smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(NC(=O)COC(=O)c2ccc([O-])cc2)ccc1Br ZINC000003507952 695540720 /nfs/dbraw/zinc/54/07/20/695540720.db2.gz PBSUIZGPQNVZJD-UHFFFAOYSA-N -1 3 364.195 3.259 20 0 FGADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3ccc(CO)cc3)nc(=O)c2c1C ZINC000006082274 695554378 /nfs/dbraw/zinc/55/43/78/695554378.db2.gz WXTIKOCYGHUMAE-JTQLQIEISA-N -1 3 358.419 3.012 20 0 FGADHM O=C(COC(=O)c1c(Cl)cccc1Cl)[N-]C(=O)c1cccs1 ZINC000007123651 695563362 /nfs/dbraw/zinc/56/33/62/695563362.db2.gz RWKIBGSDOSGFCM-UHFFFAOYSA-N -1 3 358.202 3.168 20 0 FGADHM Cc1c2cccc(F)c2oc1C(=O)OCC(=O)[N-]C(=O)c1cccs1 ZINC000008544734 695584766 /nfs/dbraw/zinc/58/47/66/695584766.db2.gz FVVSCPOXXCCHTA-UHFFFAOYSA-N -1 3 361.350 3.055 20 0 FGADHM COc1cc(NC=C2C(=O)[N-]C(=O)c3ccccc32)c(OC)cc1Cl ZINC000016720763 695631475 /nfs/dbraw/zinc/63/14/75/695631475.db2.gz XFTLBSCAGPPLQZ-FMIVXFBMSA-N -1 3 358.781 3.080 20 0 FGADHM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)Nc2ncccc2O)c1 ZINC000022264378 695651644 /nfs/dbraw/zinc/65/16/44/695651644.db2.gz GZEYWJLDJWJOHT-UHFFFAOYSA-N -1 3 355.423 3.046 20 0 FGADHM Cc1ccc(OCc2nc(CC(=O)Nc3ncccc3[O-])cs2)cc1 ZINC000022265085 695651963 /nfs/dbraw/zinc/65/19/63/695651963.db2.gz VERLFPCGKGFSBA-UHFFFAOYSA-N -1 3 355.419 3.312 20 0 FGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1cc(Cl)nc(Cl)c1 ZINC000024890934 695670963 /nfs/dbraw/zinc/67/09/63/695670963.db2.gz CESYTENXUBCXCT-UHFFFAOYSA-N -1 3 360.222 3.012 20 0 FGADHM C[C@@H](N/C=C1/C(=O)[N-]C(=O)c2ccccc21)c1ccc(Br)cc1 ZINC000029185272 695710065 /nfs/dbraw/zinc/71/00/65/695710065.db2.gz QEWLZLVCLITXJE-HPUUJOOBSA-N -1 3 371.234 3.411 20 0 FGADHM O=S(=O)([N-][C@@H]1CCCN(Cc2ccccc2)C1)c1ccc(Cl)s1 ZINC000030361904 695721774 /nfs/dbraw/zinc/72/17/74/695721774.db2.gz JUQSJWSYAYPHPO-CQSZACIVSA-N -1 3 370.927 3.344 20 0 FGADHM C[C@H](Oc1cccc(Cl)c1Cl)C(=O)N[N-]C(=O)c1ccccc1F ZINC000031678289 695738056 /nfs/dbraw/zinc/73/80/56/695738056.db2.gz XUCGILXCIRQZAS-VIFPVBQESA-N -1 3 371.195 3.361 20 0 FGADHM O=C(NN=C1C(=O)Nc2c1cc(Cl)cc2Cl)c1ccc([O-])cc1 ZINC000044059725 695800978 /nfs/dbraw/zinc/80/09/78/695800978.db2.gz YKXGZLSGFFGSCR-UHFFFAOYSA-N -1 3 350.161 3.435 20 0 FGADHM O=C(CCc1ccc(Cl)s1)N[N-]C(=O)c1ccc2ccccc2n1 ZINC000044819383 695813042 /nfs/dbraw/zinc/81/30/42/695813042.db2.gz FODNBIPGLTWMRZ-UHFFFAOYSA-N -1 3 359.838 3.344 20 0 FGADHM O=C(Nc1ccc(OCC(F)(F)F)cc1)c1cc2c(cc1[O-])OCO2 ZINC000048361825 695876221 /nfs/dbraw/zinc/87/62/21/695876221.db2.gz OWXONQNZKJTXLF-UHFFFAOYSA-N -1 3 355.268 3.314 20 0 FGADHM O=C(CCOc1cccc(Br)c1)[N-]OCc1ccccc1 ZINC000069271390 695948741 /nfs/dbraw/zinc/94/87/41/695948741.db2.gz QOISPKUDCVPIQT-UHFFFAOYSA-N -1 3 350.212 3.466 20 0 FGADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@@H]1CCSc2ccc(F)cc21 ZINC000078805267 700288668 /nfs/dbraw/zinc/28/86/68/700288668.db2.gz GQPMRRMJPTWADD-CYBMUJFWSA-N -1 3 361.442 3.308 20 0 FGADHM C[C@H](Cc1cccs1)[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000081672386 700338923 /nfs/dbraw/zinc/33/89/23/700338923.db2.gz WBQPGPORQINPRG-MRVPVSSYSA-N -1 3 351.280 3.359 20 0 FGADHM Cc1csc([C@@H]([N-]S(=O)(=O)c2cc(C)c(F)cc2F)C2CC2)n1 ZINC000084674998 700361343 /nfs/dbraw/zinc/36/13/43/700361343.db2.gz FIRYZEQVGHIENG-AWEZNQCLSA-N -1 3 358.435 3.468 20 0 FGADHM O=C(Nc1cc(Br)ccc1[O-])[C@@H]1Cc2cc(F)ccc2O1 ZINC000085585729 700367989 /nfs/dbraw/zinc/36/79/89/700367989.db2.gz MFBDXQOLOIOFMH-AWEZNQCLSA-N -1 3 352.159 3.236 20 0 FGADHM C[C@H](NC(=O)c1c([O-])cccc1O)c1nc(-c2ccc(Cl)cc2)no1 ZINC000092123538 700431562 /nfs/dbraw/zinc/43/15/62/700431562.db2.gz RBEFCTALPIECLZ-VIFPVBQESA-N -1 3 359.769 3.292 20 0 FGADHM O=C(Cn1c(=S)[n-]nc1-c1ccc(Cl)cc1)Nc1ccncc1O ZINC000109890308 700537367 /nfs/dbraw/zinc/53/73/67/700537367.db2.gz OGMZTYMNBJQFPI-UHFFFAOYSA-N -1 3 361.814 3.000 20 0 FGADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)/C=C/c1ccco1 ZINC000112552962 700560654 /nfs/dbraw/zinc/56/06/54/700560654.db2.gz DJUGHXFKSOTZIP-FNORWQNLSA-N -1 3 374.340 3.322 20 0 FGADHM O=C(Nc1cc(Br)ccc1F)c1nnc2ccccc2c1[O-] ZINC000118317803 700609252 /nfs/dbraw/zinc/60/92/52/700609252.db2.gz UDKMTKJTRDGZNO-UHFFFAOYSA-N -1 3 362.158 3.077 20 0 FGADHM Cc1cc(F)c(S(=O)(=O)[N-][C@H](C)C[C@@H](O)c2ccc(F)cc2)cc1F ZINC000123906871 700711880 /nfs/dbraw/zinc/71/18/80/700711880.db2.gz DQNSSFPLKQRYHH-BDJLRTHQSA-N -1 3 373.396 3.203 20 0 FGADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1cnc(-c2ccccc2Cl)s1 ZINC000131423492 700814971 /nfs/dbraw/zinc/81/49/71/700814971.db2.gz MZELNFSXRFEURY-UHFFFAOYSA-N -1 3 362.798 3.225 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)c1cc(Br)cnc1Cl ZINC000132819652 700831725 /nfs/dbraw/zinc/83/17/25/700831725.db2.gz WCEXABPIFPZVAW-UHFFFAOYSA-N -1 3 359.582 3.272 20 0 FGADHM O=S(=O)([N-]C[C@H]1CSCCS1)c1cc(Cl)ccc1Cl ZINC000152659260 704970005 /nfs/dbraw/zinc/97/00/05/704970005.db2.gz SZYDTYWWUTXCEG-VIFPVBQESA-N -1 3 358.337 3.120 20 0 FGADHM COc1cc(Br)cc(C)c1NC([O-])=NO[C@@H]1CCCCO1 ZINC000152829055 704975074 /nfs/dbraw/zinc/97/50/74/704975074.db2.gz YQSQJCJHIDSFEL-GFCCVEGCSA-N -1 3 359.220 3.346 20 0 FGADHM COc1cc(Br)cc(C)c1NC(=O)[N-]O[C@@H]1CCCCO1 ZINC000152829055 704975078 /nfs/dbraw/zinc/97/50/78/704975078.db2.gz YQSQJCJHIDSFEL-GFCCVEGCSA-N -1 3 359.220 3.346 20 0 FGADHM O=C(N[C@@H]1C[C@@H]1c1c(F)cccc1Cl)c1nnc2ccccc2c1[O-] ZINC000153410191 704997749 /nfs/dbraw/zinc/99/77/49/704997749.db2.gz LTABNPYFPMWKEW-IINYFYTJSA-N -1 3 357.772 3.002 20 0 FGADHM C[C@H](C[C@@H](O)c1cccs1)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000158111196 705172692 /nfs/dbraw/zinc/17/26/92/705172692.db2.gz NZOGUDNDHQOPSI-RKDXNWHRSA-N -1 3 351.902 3.254 20 0 FGADHM Cc1cc(F)c(S(=O)(=O)[N-][C@H](C)C[C@@H](O)c2cccs2)cc1F ZINC000158146893 705174810 /nfs/dbraw/zinc/17/48/10/705174810.db2.gz YDAJWVRIJQWOIO-ZWNOBZJWSA-N -1 3 361.435 3.125 20 0 FGADHM Cc1cc(C(=O)N[N-]C(=O)c2ccccc2Br)cc(C)c1F ZINC000160669571 705258645 /nfs/dbraw/zinc/25/86/45/705258645.db2.gz BUVLASPOCHUZQH-UHFFFAOYSA-N -1 3 365.202 3.280 20 0 FGADHM O=C([N-]c1c2nsnc2ccc1Cl)c1cnn(-c2ccccc2)n1 ZINC000173265965 705451268 /nfs/dbraw/zinc/45/12/68/705451268.db2.gz WLZPVEOIIKILQP-UHFFFAOYSA-N -1 3 356.798 3.178 20 0 FGADHM C[C@H](OC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)C(F)(F)F ZINC000174920163 705525266 /nfs/dbraw/zinc/52/52/66/705525266.db2.gz QJROHYDWMPRULN-QMMMGPOBSA-N -1 3 371.352 3.010 20 0 FGADHM CCS[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000175275922 705541088 /nfs/dbraw/zinc/54/10/88/705541088.db2.gz FPXYWDZLUIEHLS-BDAKNGLRSA-N -1 3 355.312 3.341 20 0 FGADHM C[C@@H](N(C)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)C1(C)CC1 ZINC000175635080 705555187 /nfs/dbraw/zinc/55/51/87/705555187.db2.gz ULNKFMPXGQUOKF-GFCCVEGCSA-N -1 3 370.490 3.163 20 0 FGADHM Cc1c(C(=O)Nc2cc(Br)ccc2[O-])cnn1-c1ccccn1 ZINC000176430231 705580377 /nfs/dbraw/zinc/58/03/77/705580377.db2.gz FOROXFKYNZKACE-UHFFFAOYSA-N -1 3 373.210 3.296 20 0 FGADHM Cc1ccc(-n2cc(C(=O)[N-]c3c4nsnc4ccc3Cl)nn2)cc1 ZINC000181263804 705781103 /nfs/dbraw/zinc/78/11/03/705781103.db2.gz JGPRRJHVLHDISB-UHFFFAOYSA-N -1 3 370.825 3.486 20 0 FGADHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCCCSC(C)(C)C ZINC000181600866 705800926 /nfs/dbraw/zinc/80/09/26/705800926.db2.gz MUZFXIASTOBTJG-UHFFFAOYSA-N -1 3 350.484 3.261 20 0 FGADHM O=C(Cc1ccc(O)cc1)[N-]OCc1ccc(F)cc1Br ZINC000188925117 712781339 /nfs/dbraw/zinc/78/13/39/712781339.db2.gz MVJGOGCMVWRNPB-UHFFFAOYSA-N -1 3 354.175 3.084 20 0 FGADHM N#Cc1ccc(CN2CC[C@H](/N=C/c3cc(Cl)ccc3[O-])C2=O)cc1 ZINC000191966529 712848285 /nfs/dbraw/zinc/84/82/85/712848285.db2.gz OJSVDOJHXOUBEG-CBVHTYNASA-N -1 3 353.809 3.137 20 0 FGADHM C[C@H]1CCCC[C@@]1(CNC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1ccco1 ZINC000192866919 712876009 /nfs/dbraw/zinc/87/60/09/712876009.db2.gz JOWNDCWGIPKIEE-GUYCJALGSA-N -1 3 372.487 3.032 20 0 FGADHM COc1ccccc1[C@@H]([N-]S(=O)(=O)C[C@@]1(C)CC1(F)F)c1ccco1 ZINC000641386533 717895889 /nfs/dbraw/zinc/89/58/89/717895889.db2.gz GIQHAUBDBBFBNH-HZPDHXFCSA-N -1 3 371.405 3.342 20 0 FGADHM CN1CC[C@H](NC(=O)c2ccc3[n-]c(=S)oc3c2)[C@H]1c1ccccc1 ZINC000247975414 713644622 /nfs/dbraw/zinc/64/46/22/713644622.db2.gz GGQHKPCQQDYGDZ-DOTOQJQBSA-N -1 3 353.447 3.292 20 0 FGADHM O=S(=O)([N-]c1c(F)cccc1F)C1(COCc2ccccc2)CC1 ZINC000641678990 717919251 /nfs/dbraw/zinc/91/92/51/717919251.db2.gz ZMZBZHOKUHJFTG-UHFFFAOYSA-N -1 3 353.390 3.456 20 0 FGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)NCC2(C)CCCC2)ccc1F ZINC000303411563 713786072 /nfs/dbraw/zinc/78/60/72/713786072.db2.gz UVYAYINZRNYPQK-UHFFFAOYSA-N -1 3 370.490 3.213 20 0 FGADHM O=S(=O)([N-]Cc1cnc2n1CCCC2)c1cc(Cl)ccc1Cl ZINC000375115460 713968596 /nfs/dbraw/zinc/96/85/96/713968596.db2.gz UXGPMQZQIRUSDR-UHFFFAOYSA-N -1 3 360.266 3.005 20 0 FGADHM O=C(Nc1ccc(Sc2nncs2)cc1)c1cc2c(cc1[O-])OCO2 ZINC000436540182 714026858 /nfs/dbraw/zinc/02/68/58/714026858.db2.gz OHEZTGWLPSQYLL-UHFFFAOYSA-N -1 3 373.415 3.376 20 0 FGADHM O=C(Nc1cccc(NCC(F)(F)F)c1)c1cc2c(cc1[O-])OCO2 ZINC000436614313 714027206 /nfs/dbraw/zinc/02/72/06/714027206.db2.gz WGVCKDVEYZXZKX-UHFFFAOYSA-N -1 3 354.284 3.347 20 0 FGADHM O=C(Cc1ccc([O-])c(F)c1)N1CCC2(CC1)OCCc1ccsc12 ZINC000450476394 714046603 /nfs/dbraw/zinc/04/66/03/714046603.db2.gz PILBSHWRWYTXSF-UHFFFAOYSA-N -1 3 361.438 3.226 20 0 FGADHM FC(F)(F)[C@H]1CC(N=c2ncnc3[nH][n-]cc2-3)C[C@H](C(F)(F)F)C1 ZINC000642186566 717957802 /nfs/dbraw/zinc/95/78/02/717957802.db2.gz ACDOGRIAZOTCMD-RNFRBKRXSA-N -1 3 353.270 3.048 20 0 FGADHM O=C(N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1)c1cn2cccnc2n1 ZINC000524047472 714266220 /nfs/dbraw/zinc/26/62/20/714266220.db2.gz ACCVCHNSCFOZOB-UHFFFAOYSA-N -1 3 373.203 3.100 20 0 FGADHM COc1cccc(OCCC[N-]S(=O)(=O)c2ccc(Cl)cc2F)c1 ZINC000524123318 714269044 /nfs/dbraw/zinc/26/90/44/714269044.db2.gz WXXRPMAWBQQRJM-UHFFFAOYSA-N -1 3 373.833 3.235 20 0 FGADHM CC(C)Oc1ccc(NC(=O)CNC(=O)c2ccc([O-])cc2)cc1Cl ZINC000524236907 714274625 /nfs/dbraw/zinc/27/46/25/714274625.db2.gz BTLVBZDYZXUXQW-UHFFFAOYSA-N -1 3 362.813 3.201 20 0 FGADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2F)cc1C ZINC000525534894 714359243 /nfs/dbraw/zinc/35/92/43/714359243.db2.gz WVOLEAXHZATLOC-UHFFFAOYSA-N -1 3 357.790 3.375 20 0 FGADHM Cc1nc(C)c(CC(=O)N(C)Cc2c(Cl)cccc2Cl)c(=O)[n-]1 ZINC000642346815 717969409 /nfs/dbraw/zinc/96/94/09/717969409.db2.gz LHYLLOWUNUPAHE-UHFFFAOYSA-N -1 3 354.237 3.307 20 0 FGADHM COc1cc(C(=O)NC[C@H](c2ccco2)N2CCCC2)cc(Cl)c1[O-] ZINC000526946200 714414031 /nfs/dbraw/zinc/41/40/31/714414031.db2.gz OWXOSKAQNMQWBB-CQSZACIVSA-N -1 3 364.829 3.214 20 0 FGADHM C[C@H]1[C@@H](C(=O)[O-])CCN1Cc1ncc(-c2cccc(Br)c2)o1 ZINC000572967372 714447688 /nfs/dbraw/zinc/44/76/88/714447688.db2.gz AQWZCVOYMWXECP-GWCFXTLKSA-N -1 3 365.227 3.399 20 0 FGADHM O=C([O-])[C@]1(C(F)(F)F)CCN(Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000574922390 714454834 /nfs/dbraw/zinc/45/48/34/714454834.db2.gz QHOLTSQKHKZOHV-ZDUSSCGKSA-N -1 3 371.277 3.467 20 0 FGADHM CSc1nc(C)c(CCC(=O)Nc2cccc(C(C)=O)c2[O-])c(C)n1 ZINC000577424589 714465191 /nfs/dbraw/zinc/46/51/91/714465191.db2.gz GORWSRCJIPOSSC-UHFFFAOYSA-N -1 3 359.451 3.295 20 0 FGADHM CCOC(=O)c1ncc(NC(=O)c2cc(C)c(Br)cc2C)[n-]1 ZINC000617870224 714698806 /nfs/dbraw/zinc/69/88/06/714698806.db2.gz GLGUPTOCLGNRDG-UHFFFAOYSA-N -1 3 366.215 3.218 20 0 FGADHM CCOC(=O)c1nc(NC(=O)c2cc(C)c(Br)cc2C)c[n-]1 ZINC000617870224 714698808 /nfs/dbraw/zinc/69/88/08/714698808.db2.gz GLGUPTOCLGNRDG-UHFFFAOYSA-N -1 3 366.215 3.218 20 0 FGADHM CCOC(=O)c1ncc(NC(=O)c2cc(-c3cccc(Cl)c3)on2)[n-]1 ZINC000617870347 714698819 /nfs/dbraw/zinc/69/88/19/714698819.db2.gz NFMAHQPUMLVHRP-UHFFFAOYSA-N -1 3 360.757 3.147 20 0 FGADHM CCOC(=O)c1nc(NC(=O)c2cc(-c3cccc(Cl)c3)on2)c[n-]1 ZINC000617870347 714698820 /nfs/dbraw/zinc/69/88/20/714698820.db2.gz NFMAHQPUMLVHRP-UHFFFAOYSA-N -1 3 360.757 3.147 20 0 FGADHM O=C(CSCc1cccc(Cl)c1)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000619423651 714834709 /nfs/dbraw/zinc/83/47/09/714834709.db2.gz PQXINONBRWPGOR-AWEZNQCLSA-N -1 3 351.859 3.208 20 0 FGADHM CCOC(=O)c1ncc(NC(=O)c2cccc(Oc3nccs3)c2)[n-]1 ZINC000619447526 714836770 /nfs/dbraw/zinc/83/67/70/714836770.db2.gz DRKSXVZBUZCMTB-UHFFFAOYSA-N -1 3 358.379 3.088 20 0 FGADHM CCOC(=O)c1nc(NC(=O)c2cccc(Oc3nccs3)c2)c[n-]1 ZINC000619447526 714836773 /nfs/dbraw/zinc/83/67/73/714836773.db2.gz DRKSXVZBUZCMTB-UHFFFAOYSA-N -1 3 358.379 3.088 20 0 FGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)c1ccsc1 ZINC000619751939 714866436 /nfs/dbraw/zinc/86/64/36/714866436.db2.gz CBZZGEUCUPMKOJ-VIFPVBQESA-N -1 3 359.856 3.228 20 0 FGADHM C[C@H]1C[C@H]1c1ccc(CCC(=O)Nc2ccccc2[N-]S(C)(=O)=O)o1 ZINC000620184389 714899969 /nfs/dbraw/zinc/89/99/69/714899969.db2.gz MQXWBENUHXESDT-GXTWGEPZSA-N -1 3 362.451 3.346 20 0 FGADHM CC(C)(C[N-]S(=O)(=O)c1cc(F)ccc1OC(F)F)C(F)(F)F ZINC000643213425 718019154 /nfs/dbraw/zinc/01/91/54/718019154.db2.gz UUNTZUPROGHXOR-UHFFFAOYSA-N -1 3 365.295 3.294 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]CC[C@@H]2CC2(F)F)c(Cl)c1Cl ZINC000621303490 714979363 /nfs/dbraw/zinc/97/93/63/714979363.db2.gz HBQKPEIGPRQWHK-SSDOTTSWSA-N -1 3 360.209 3.326 20 0 FGADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)C[C@H](C)[C@H]2CCCO2)[nH][n-]1 ZINC000621824463 715028499 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CCC(CC)COC(=O)CS(=O)(=O)[N-]c1ccc(OC(C)C)cc1 ZINC000798890872 723971817 /nfs/dbraw/zinc/97/18/17/723971817.db2.gz ADORHQLEKCRMDG-UHFFFAOYSA-N -1 3 357.472 3.195 20 0 FGADHM O=C([N-]CC1CCN(Cc2ccc(F)cc2Cl)CC1)C(F)(F)F ZINC000798956202 723979801 /nfs/dbraw/zinc/97/98/01/723979801.db2.gz MGTSFCPRUQHDAM-UHFFFAOYSA-N -1 3 352.759 3.370 20 0 FGADHM COc1ccccc1CO[N-]C(=O)CCCOc1ccc(F)cc1F ZINC000799089845 723987637 /nfs/dbraw/zinc/98/76/37/723987637.db2.gz DAVCDTNZJDJNQQ-UHFFFAOYSA-N -1 3 351.349 3.380 20 0 FGADHM Cc1n[n-]c(C)c1S(=O)(=O)Oc1ccc(Oc2nccs2)cc1 ZINC000775473624 723994062 /nfs/dbraw/zinc/99/40/62/723994062.db2.gz BPEQFDATQILKJK-UHFFFAOYSA-N -1 3 351.409 3.043 20 0 FGADHM CCN1CCN(c2ccc(NC(=O)c3cccc(Cl)c3[O-])cc2)CC1 ZINC000775643152 724013931 /nfs/dbraw/zinc/01/39/31/724013931.db2.gz NINHFSWNKPBMLJ-UHFFFAOYSA-N -1 3 359.857 3.440 20 0 FGADHM CC(C)CN(CC(F)(F)F)C(=O)COC(=O)c1cccc(Cl)c1[O-] ZINC000775932320 724085034 /nfs/dbraw/zinc/08/50/34/724085034.db2.gz HGNPNVGVJMTYEJ-UHFFFAOYSA-N -1 3 367.751 3.249 20 0 FGADHM CCc1ccc(CNC(=O)COC(=O)c2cccc(Cl)c2[O-])s1 ZINC000775934020 724085530 /nfs/dbraw/zinc/08/55/30/724085530.db2.gz KVHYQTSWBMKRMS-UHFFFAOYSA-N -1 3 353.827 3.143 20 0 FGADHM CC(=O)c1ccccc1NC(=O)[C@H](C)OC(=O)c1cccc(Cl)c1[O-] ZINC000775936409 724086959 /nfs/dbraw/zinc/08/69/59/724086959.db2.gz ZDEVDMQYKRGQEC-NSHDSACASA-N -1 3 361.781 3.432 20 0 FGADHM O=S(=O)(/C=C\c1ccccc1F)[N-]c1cnn(Cc2ccccc2)c1 ZINC000799915331 724111490 /nfs/dbraw/zinc/11/14/90/724111490.db2.gz BQWRSSWOTFGGBZ-KHPPLWFESA-N -1 3 357.410 3.483 20 0 FGADHM CC(C)(C)[C@@H]1CCCC[C@@H]1CNC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000776123820 724112127 /nfs/dbraw/zinc/11/21/27/724112127.db2.gz RIFLCROQARVHGU-GHMZBOCLSA-N -1 3 361.412 3.475 20 0 FGADHM CCOc1cccc(S(=O)(=O)[N-]c2cc(NC(C)=O)c(F)cc2F)c1 ZINC000799918726 724112707 /nfs/dbraw/zinc/11/27/07/724112707.db2.gz YJODDABQSIQOON-UHFFFAOYSA-N -1 3 370.377 3.123 20 0 FGADHM O=C([N-]c1nncn1-c1ccccc1)C(F)(F)c1c(F)cccc1F ZINC000776237023 724122556 /nfs/dbraw/zinc/12/25/56/724122556.db2.gz YWKQSDQKBNEHHU-UHFFFAOYSA-N -1 3 350.275 3.276 20 0 FGADHM CCOc1cccc(S(=O)(=O)[N-]c2ccc(C)nc2Br)c1 ZINC000800043659 724134475 /nfs/dbraw/zinc/13/44/75/724134475.db2.gz YDPBOUYLEIKYLI-UHFFFAOYSA-N -1 3 371.256 3.352 20 0 FGADHM O=C(OCc1ccc(Br)cc1F)c1cccc2nn[n-]c21 ZINC000800210558 724166658 /nfs/dbraw/zinc/16/66/58/724166658.db2.gz RXUWDKMXMOPPAX-UHFFFAOYSA-N -1 3 350.147 3.217 20 0 FGADHM O=C(OCc1ccc(Br)cc1F)c1cccc2[n-]nnc21 ZINC000800210558 724166660 /nfs/dbraw/zinc/16/66/60/724166660.db2.gz RXUWDKMXMOPPAX-UHFFFAOYSA-N -1 3 350.147 3.217 20 0 FGADHM O=C(OCc1ccc(Br)cc1F)c1cccc2n[n-]nc21 ZINC000800210558 724166662 /nfs/dbraw/zinc/16/66/62/724166662.db2.gz RXUWDKMXMOPPAX-UHFFFAOYSA-N -1 3 350.147 3.217 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]C[C@@H](O)c2cc(C)cc(C)c2)sc1Cl ZINC000800966564 724255603 /nfs/dbraw/zinc/25/56/03/724255603.db2.gz LPRVKSSMAIZZMM-CYBMUJFWSA-N -1 3 359.900 3.339 20 0 FGADHM O=C(/C=C\c1ccc(Cl)nc1)OCc1noc(-c2ccccc2[O-])n1 ZINC000784404921 724850600 /nfs/dbraw/zinc/85/06/00/724850600.db2.gz PIQRFPZBYPFICV-VURMDHGXSA-N -1 3 357.753 3.247 20 0 FGADHM COc1ccc(CC(=O)[N-]OCc2cccc(Cl)c2F)cc1OC ZINC000786112443 724960785 /nfs/dbraw/zinc/96/07/85/724960785.db2.gz SIWXNYLTEMHTQT-UHFFFAOYSA-N -1 3 353.777 3.287 20 0 FGADHM Cc1csc2nc(COC(=O)c3cc4sccc4c([O-])c3)cc(=O)n12 ZINC000786140920 724962482 /nfs/dbraw/zinc/96/24/82/724962482.db2.gz SWHWGUYADRUXPG-UHFFFAOYSA-N -1 3 372.427 3.342 20 0 FGADHM COc1ccc(CC(=O)[N-]OCc2cc(Cl)ccc2F)cc1OC ZINC000786741883 724998355 /nfs/dbraw/zinc/99/83/55/724998355.db2.gz QHONQAXHQYYSMI-UHFFFAOYSA-N -1 3 353.777 3.287 20 0 FGADHM O=C(CCC(=O)Nc1nnc(C2CCCCC2)s1)[N-]OC1CCCC1 ZINC000787493460 725030093 /nfs/dbraw/zinc/03/00/93/725030093.db2.gz ICCPLQXNOSREHK-UHFFFAOYSA-N -1 3 366.487 3.295 20 0 FGADHM Cc1cnc([C@@H]([N-]S(=O)(=O)c2cnc(Cl)c(F)c2)C2CC2)s1 ZINC000787921121 725040681 /nfs/dbraw/zinc/04/06/81/725040681.db2.gz GYBIAURMPMGXIQ-NSHDSACASA-N -1 3 361.851 3.069 20 0 FGADHM O=S(=O)([N-]C[C@H]1CCC2(CCCCC2)O1)c1cnc(Cl)c(F)c1 ZINC000805077232 725048509 /nfs/dbraw/zinc/04/85/09/725048509.db2.gz OTEYRMUZDDUHOH-LLVKDONJSA-N -1 3 362.854 3.034 20 0 FGADHM COC(=O)c1sc(S(=O)(=O)[N-][C@H](C)CCC2CC2)c(C)c1Cl ZINC000788665939 725079666 /nfs/dbraw/zinc/07/96/66/725079666.db2.gz JUXKLSYNZQDKMX-MRVPVSSYSA-N -1 3 365.904 3.354 20 0 FGADHM Cc1cc(F)c(S(=O)(=O)[N-][C@@H](C(C)C)[C@@H](O)c2ccccc2)cc1F ZINC000788720560 725083290 /nfs/dbraw/zinc/08/32/90/725083290.db2.gz LOQHGDCTGYPDTO-ROUUACIJSA-N -1 3 369.433 3.310 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]C[C@@H](O)c2ccccc2Cl)sc1Cl ZINC000788900724 725094414 /nfs/dbraw/zinc/09/44/14/725094414.db2.gz XLZRWGJQEMTNPZ-LLVKDONJSA-N -1 3 366.291 3.375 20 0 FGADHM O=S(=O)([N-]Cc1c(F)c(F)cc(F)c1F)C1=Cc2ccccc2OC1 ZINC000788901178 725094683 /nfs/dbraw/zinc/09/46/83/725094683.db2.gz MTTVVPZJWBXFSJ-UHFFFAOYSA-N -1 3 373.327 3.096 20 0 FGADHM COC(=O)[C@@H](OC(=O)CCCc1ccc([O-])c(F)c1)c1ccsc1 ZINC000788993861 725101374 /nfs/dbraw/zinc/10/13/74/725101374.db2.gz KIBMCVNCZSJIPM-INIZCTEOSA-N -1 3 352.383 3.373 20 0 FGADHM Cc1ccc(CC(=O)NCc2ccc([O-])c(Br)c2)c(Cl)n1 ZINC000807092305 725153369 /nfs/dbraw/zinc/15/33/69/725153369.db2.gz AYRSPHYRAGTUAN-UHFFFAOYSA-N -1 3 369.646 3.370 20 0 FGADHM CC[C@H](CC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C)C(C)C ZINC000807706354 725166453 /nfs/dbraw/zinc/16/64/53/725166453.db2.gz LXPYSBBBHHTXBY-XPCVCDNBSA-N -1 3 350.425 3.363 20 0 FGADHM CC(F)(F)C(=O)[N-]Cc1ccc(Cl)cc1I ZINC000808468376 725202793 /nfs/dbraw/zinc/20/27/93/725202793.db2.gz LHAYCHAQTASEIS-UHFFFAOYSA-N -1 3 359.541 3.216 20 0 FGADHM O=C(NCc1ccc(C(=O)N2CCCC2)cc1)c1cc([O-])ccc1Cl ZINC000810016839 725282439 /nfs/dbraw/zinc/28/24/39/725282439.db2.gz BVDSUVMAIXDBDS-UHFFFAOYSA-N -1 3 358.825 3.212 20 0 FGADHM CCOC(=O)CN1CCC[C@@H](OC(=O)c2cc3cc(Cl)sc3[n-]2)C1 ZINC000810599059 725317152 /nfs/dbraw/zinc/31/71/52/725317152.db2.gz MPOYKFWHZYEVIG-LLVKDONJSA-N -1 3 370.858 3.067 20 0 FGADHM CN(Cc1ccco1)C(=O)COC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000811394216 725361437 /nfs/dbraw/zinc/36/14/37/725361437.db2.gz MRSHYIGQTLJXIO-UHFFFAOYSA-N -1 3 352.799 3.291 20 0 FGADHM CC(C)(C)OC(=O)NC[C@]1(C)CCN(C(=O)c2cc([O-])ccc2Cl)C1 ZINC000811498826 725369747 /nfs/dbraw/zinc/36/97/47/725369747.db2.gz DNNJGEAQSGANDD-SFHVURJKSA-N -1 3 368.861 3.423 20 0 FGADHM Cc1cccc(NC(=S)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)c1C ZINC000811711838 725377696 /nfs/dbraw/zinc/37/76/96/725377696.db2.gz XBQOKOMDSJVUNA-CYBMUJFWSA-N -1 3 373.444 3.391 20 0 FGADHM C[C@H](NC(=S)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1)c1ccccc1 ZINC000811711987 725377794 /nfs/dbraw/zinc/37/77/94/725377794.db2.gz CUYMZWRIPSLICJ-QWHCGFSZSA-N -1 3 373.444 3.013 20 0 FGADHM Cc1nn(C)c2cc([N-]S(=O)(=O)C3=Cc4ccccc4OC3)ccc12 ZINC000812271828 725392062 /nfs/dbraw/zinc/39/20/62/725392062.db2.gz UYSVUBYJTBCNSI-UHFFFAOYSA-N -1 3 355.419 3.057 20 0 FGADHM CC(C)OCCO[N-]C(=O)CCCOc1cccc(Br)c1 ZINC000812806271 726813937 /nfs/dbraw/zinc/81/39/37/726813937.db2.gz 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ZINC000815218741 727053536 /nfs/dbraw/zinc/05/35/36/727053536.db2.gz SGLLAEBQXKDASV-DTWKUNHWSA-N -1 3 366.266 3.247 20 0 FGADHM O=C(OCc1ccccc1)[C@H]1CCCN1C(=O)c1cc([O-])ccc1Cl ZINC000815543888 727082908 /nfs/dbraw/zinc/08/29/08/727082908.db2.gz BURZKGZUFLZXOS-QGZVFWFLSA-N -1 3 359.809 3.394 20 0 FGADHM COC(=O)c1cc(C(=O)OC[C@H]2CCN(c3ccccc3Cl)C2)c[n-]1 ZINC000816090221 727123942 /nfs/dbraw/zinc/12/39/42/727123942.db2.gz BNUJEWIYIWVFOS-LBPRGKRZSA-N -1 3 362.813 3.138 20 0 FGADHM Cc1nc(C)c(CC(=O)Oc2ccc(OCC3CC3)c(Cl)c2)c(=O)[n-]1 ZINC000816216586 727137156 /nfs/dbraw/zinc/13/71/56/727137156.db2.gz QLQKLWZGPVSYMJ-UHFFFAOYSA-N -1 3 362.813 3.389 20 0 FGADHM COC[C@@H]([N-]C(=O)C(F)(F)c1cc(Cl)ccc1Cl)[C@@H]1CCCO1 ZINC000817447278 727252941 /nfs/dbraw/zinc/25/29/41/727252941.db2.gz LBOOYOBKULWGQW-OLZOCXBDSA-N -1 3 368.207 3.395 20 0 FGADHM Nc1ccc(C(=O)N2CCC[C@@H](c3nc4c(s3)CCCC4)C2)c([O-])c1 ZINC000817998177 727291030 /nfs/dbraw/zinc/29/10/30/727291030.db2.gz DNTCGDJAFBOAAL-GFCCVEGCSA-N -1 3 357.479 3.330 20 0 FGADHM CSC[C@@H]1CCCN(C(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)C1 ZINC000820369932 728989448 /nfs/dbraw/zinc/98/94/48/728989448.db2.gz MJOVABMDHRBHGX-SNVBAGLBSA-N -1 3 352.406 3.022 20 0 FGADHM COc1cccc(S([O-])=CC(=O)OCc2ccc(C(C)(C)C)nc2)c1 ZINC000820955803 729045742 /nfs/dbraw/zinc/04/57/42/729045742.db2.gz GNNLCWJOFLHVCB-VWLOTQADSA-N -1 3 361.463 3.239 20 0 FGADHM CCC[C@H](C(=O)OCC)S(=O)(=O)[N-]c1ccc(OC2CCCC2)cc1 ZINC000821150635 729063660 /nfs/dbraw/zinc/06/36/60/729063660.db2.gz JLLGAMVVOOXXNP-QGZVFWFLSA-N -1 3 369.483 3.482 20 0 FGADHM COc1cccc(S([O-])=CC(=O)OCCOc2cc(C)ccc2C)c1 ZINC000821364600 729080506 /nfs/dbraw/zinc/08/05/06/729080506.db2.gz CXYBEMNQNAEMCX-VWLOTQADSA-N -1 3 362.447 3.042 20 0 FGADHM CN(Cc1cccc([O-])c1Br)C[C@](C)(O)c1ccccc1 ZINC000822521011 729189953 /nfs/dbraw/zinc/18/99/53/729189953.db2.gz VLFAGQGXEXYZDW-KRWDZBQOSA-N -1 3 350.256 3.494 20 0 FGADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000822645857 729204931 /nfs/dbraw/zinc/20/49/31/729204931.db2.gz SVBHUSDXKFXZNY-UHFFFAOYSA-N -1 3 370.722 3.130 20 0 FGADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000822645857 729204932 /nfs/dbraw/zinc/20/49/32/729204932.db2.gz SVBHUSDXKFXZNY-UHFFFAOYSA-N -1 3 370.722 3.130 20 0 FGADHM O=C(NC[C@@H]1CC12CCSCC2)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC000823062213 729248580 /nfs/dbraw/zinc/24/85/80/729248580.db2.gz JXWWXLUERRTPCS-JTQLQIEISA-N -1 3 364.417 3.069 20 0 FGADHM C[C@H]1CCCN(Cc2csc(NC(=O)c3[n-]cnc3C(F)(F)F)n2)C1 ZINC000823214671 729263773 /nfs/dbraw/zinc/26/37/73/729263773.db2.gz HHVXJSOQGAKHLC-VIFPVBQESA-N -1 3 373.404 3.369 20 0 FGADHM C[C@H]1CCCN(Cc2csc(NC(=O)c3nc[n-]c3C(F)(F)F)n2)C1 ZINC000823214671 729263777 /nfs/dbraw/zinc/26/37/77/729263777.db2.gz HHVXJSOQGAKHLC-VIFPVBQESA-N -1 3 373.404 3.369 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)CCCc1ccsc1 ZINC000825609495 729389353 /nfs/dbraw/zinc/38/93/53/729389353.db2.gz NVICIYYISWGVML-UHFFFAOYSA-N -1 3 358.423 3.255 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)CCCc1ccsc1 ZINC000825609495 729389355 /nfs/dbraw/zinc/38/93/55/729389355.db2.gz NVICIYYISWGVML-UHFFFAOYSA-N -1 3 358.423 3.255 20 0 FGADHM CN(C)C(=O)CCCCSc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000825839511 729397016 /nfs/dbraw/zinc/39/70/16/729397016.db2.gz HVDQHDMZMAHVIS-UHFFFAOYSA-N -1 3 373.404 3.236 20 0 FGADHM CN(C)C(=O)CCCCSc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000825839511 729397019 /nfs/dbraw/zinc/39/70/19/729397019.db2.gz HVDQHDMZMAHVIS-UHFFFAOYSA-N -1 3 373.404 3.236 20 0 FGADHM COCC[C@@H](Nc1ncc(Cl)c(C)c1-c1nnn[n-]1)c1ccc(C)o1 ZINC000826155739 729406114 /nfs/dbraw/zinc/40/61/14/729406114.db2.gz ZYBJMQNXIZJSPQ-GFCCVEGCSA-N -1 3 362.821 3.315 20 0 FGADHM COCC[C@@H](Nc1ncc(Cl)c(C)c1-c1nn[n-]n1)c1ccc(C)o1 ZINC000826155739 729406118 /nfs/dbraw/zinc/40/61/18/729406118.db2.gz ZYBJMQNXIZJSPQ-GFCCVEGCSA-N -1 3 362.821 3.315 20 0 FGADHM COc1ccc(CNc2nc3c(cccc3C)s2)cc1-c1nnn[n-]1 ZINC000826204650 729406141 /nfs/dbraw/zinc/40/61/41/729406141.db2.gz UERDHOKGFCBLOF-UHFFFAOYSA-N -1 3 352.423 3.406 20 0 FGADHM COc1ccc(CNc2nc3c(cccc3C)s2)cc1-c1nn[n-]n1 ZINC000826204650 729406142 /nfs/dbraw/zinc/40/61/42/729406142.db2.gz UERDHOKGFCBLOF-UHFFFAOYSA-N -1 3 352.423 3.406 20 0 FGADHM Cc1c(Cl)cnc(N[C@H]2CCO[C@H](C(C)(C)C)C2)c1-c1nnn[n-]1 ZINC000826239503 729406525 /nfs/dbraw/zinc/40/65/25/729406525.db2.gz JLIUMXRVDMJTRW-JQWIXIFHSA-N -1 3 350.854 3.229 20 0 FGADHM Cc1c(Cl)cnc(N[C@H]2CCO[C@H](C(C)(C)C)C2)c1-c1nn[n-]n1 ZINC000826239503 729406526 /nfs/dbraw/zinc/40/65/26/729406526.db2.gz JLIUMXRVDMJTRW-JQWIXIFHSA-N -1 3 350.854 3.229 20 0 FGADHM Clc1cc(Br)ccc1CNc1cnccc1-c1nnn[n-]1 ZINC000826351086 729407404 /nfs/dbraw/zinc/40/74/04/729407404.db2.gz WSFJCUVKTUBZPE-UHFFFAOYSA-N -1 3 365.622 3.290 20 0 FGADHM Clc1cc(Br)ccc1CNc1cnccc1-c1nn[n-]n1 ZINC000826351086 729407405 /nfs/dbraw/zinc/40/74/05/729407405.db2.gz WSFJCUVKTUBZPE-UHFFFAOYSA-N -1 3 365.622 3.290 20 0 FGADHM FC(F)(F)[C@H](NCC[C@H]1CCCCO1)c1cccc(-c2nnn[n-]2)c1 ZINC000826367167 729407770 /nfs/dbraw/zinc/40/77/70/729407770.db2.gz OJAFZHLVQUQXET-ZIAGYGMSSA-N -1 3 355.364 3.019 20 0 FGADHM FC(F)(F)[C@H](NCC[C@H]1CCCCO1)c1cccc(-c2nn[n-]n2)c1 ZINC000826367167 729407771 /nfs/dbraw/zinc/40/77/71/729407771.db2.gz OJAFZHLVQUQXET-ZIAGYGMSSA-N -1 3 355.364 3.019 20 0 FGADHM O=C(Oc1ccccc1SC(F)(F)F)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826468111 729408331 /nfs/dbraw/zinc/40/83/31/729408331.db2.gz AEZGTAKKJOXHCC-UHFFFAOYSA-N -1 3 355.301 3.026 20 0 FGADHM O=C(Oc1ccccc1SC(F)(F)F)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826468111 729408332 /nfs/dbraw/zinc/40/83/32/729408332.db2.gz AEZGTAKKJOXHCC-UHFFFAOYSA-N -1 3 355.301 3.026 20 0 FGADHM Cn1nc(C(F)(F)F)cc1CNC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000831027653 729611439 /nfs/dbraw/zinc/61/14/39/729611439.db2.gz ONXKHSOFWDVNKY-UHFFFAOYSA-N -1 3 367.249 3.093 20 0 FGADHM CCC[C@@H](CC(C)C)C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000831154339 729621945 /nfs/dbraw/zinc/62/19/45/729621945.db2.gz ZSOBRJHPUMUMTE-AWEZNQCLSA-N -1 3 350.425 3.366 20 0 FGADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@](C)(Cc1ccccc1)C1CC1 ZINC000832744506 729729440 /nfs/dbraw/zinc/72/94/40/729729440.db2.gz DRMKYGBJWQLVBL-QGZVFWFLSA-N -1 3 367.902 3.072 20 0 FGADHM O=C(NCc1cc(C(F)(F)F)cc(Cl)n1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000834604109 729817379 /nfs/dbraw/zinc/81/73/79/729817379.db2.gz BPVKLPSVFWDJQE-UHFFFAOYSA-N -1 3 372.734 3.057 20 0 FGADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1ccc(Br)c(C)c1 ZINC000836197248 729946745 /nfs/dbraw/zinc/94/67/45/729946745.db2.gz OZSCLORTHSMVQE-UHFFFAOYSA-N -1 3 359.220 3.152 20 0 FGADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1ccc(Br)c(C)c1 ZINC000836197248 729946747 /nfs/dbraw/zinc/94/67/47/729946747.db2.gz OZSCLORTHSMVQE-UHFFFAOYSA-N -1 3 359.220 3.152 20 0 FGADHM CC(C)=CCC[C@H](C)NC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000836564623 729960589 /nfs/dbraw/zinc/96/05/89/729960589.db2.gz NTLNBCWADVXFGB-ZDUSSCGKSA-N -1 3 363.424 3.221 20 0 FGADHM CN(CCNC(=O)OC(C)(C)C)C(=O)c1cc2sccc2c([O-])c1 ZINC000837274021 730013648 /nfs/dbraw/zinc/01/36/48/730013648.db2.gz PKMPPSKEQQAWOL-UHFFFAOYSA-N -1 3 350.440 3.204 20 0 FGADHM O=C(C=Cc1ccc(Br)o1)OCc1cc(=O)[n-]c(C2CC2)n1 ZINC000837341398 730019257 /nfs/dbraw/zinc/01/92/57/730019257.db2.gz JGIUSBPVMBNICD-XQRVVYSFSA-N -1 3 365.183 3.172 20 0 FGADHM CC[C@@](O)(C(=O)OCc1cc(=O)[n-]c(C2CC2)n1)c1cccc(Cl)c1 ZINC000837702990 730055728 /nfs/dbraw/zinc/05/57/28/730055728.db2.gz AVQMRVDJQDYCMS-SFHVURJKSA-N -1 3 362.813 3.054 20 0 FGADHM C=Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCOC[C@@H]3C)cc2)cc1 ZINC000840912235 730190355 /nfs/dbraw/zinc/19/03/55/730190355.db2.gz CSKQQOATPCYBHK-HNNXBMFYSA-N -1 3 358.463 3.356 20 0 FGADHM Cn1c(=O)[n-]nc1SCCCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000842648957 730524773 /nfs/dbraw/zinc/52/47/73/730524773.db2.gz OVXNHUHALCCAIG-UHFFFAOYSA-N -1 3 356.492 3.040 20 0 FGADHM CCO[C@H]1COCC[C@H]1[N-]C(=O)C(F)(F)c1cccc(Cl)c1Cl ZINC000843578783 730632639 /nfs/dbraw/zinc/63/26/39/730632639.db2.gz GSTVZBRIRHHBCU-NEPJUHHUSA-N -1 3 368.207 3.395 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)[C@@](C)(O)c1ccccc1 ZINC000845980691 730915143 /nfs/dbraw/zinc/91/51/43/730915143.db2.gz QOZGXQXKRMIJEE-BDJLRTHQSA-N -1 3 357.834 3.054 20 0 FGADHM Cc1cc(S(=O)(=O)[N-][C@H](C)[C@@](C)(O)c2ccccc2)sc1Cl ZINC000845985243 730915965 /nfs/dbraw/zinc/91/59/65/730915965.db2.gz WCVKZQWGJKMBLV-IAQYHMDHSA-N -1 3 359.900 3.284 20 0 FGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]CC[C@]2(C)C[C@@]2(F)Cl)c1 ZINC000845984817 730916018 /nfs/dbraw/zinc/91/60/18/730916018.db2.gz ZBEFGNCQLLAIJG-OLZOCXBDSA-N -1 3 356.246 3.332 20 0 FGADHM CC(C)(C)c1nsc([N-]C(=O)c2cnc(F)c(Br)c2)n1 ZINC000847432259 731055000 /nfs/dbraw/zinc/05/50/00/731055000.db2.gz GZHBWUCDBLRTIA-UHFFFAOYSA-N -1 3 359.224 3.385 20 0 FGADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3ccc(O)cc3O)nc(=O)c2c1C ZINC000849120629 731231292 /nfs/dbraw/zinc/23/12/92/731231292.db2.gz JDMPGRIZGOEAIG-MRVPVSSYSA-N -1 3 360.391 3.343 20 0 FGADHM COC(=O)Nc1cccc([N-]S(=O)(=O)C[C@H](OC)C2CCCCC2)c1 ZINC000849303693 731244885 /nfs/dbraw/zinc/24/48/85/731244885.db2.gz IAYNGGDNNNGTTE-INIZCTEOSA-N -1 3 370.471 3.202 20 0 FGADHM CC(C)(C)O[C@@H]1C[C@H]([N-]S(=O)(=O)c2cccnc2Cl)C12CCC2 ZINC000849470745 731263268 /nfs/dbraw/zinc/26/32/68/731263268.db2.gz HYEAMKHZNFVYJM-QWHCGFSZSA-N -1 3 358.891 3.140 20 0 FGADHM O=C([O-])c1cn(C2CCN(Cc3ccc(SC(F)F)cc3)CC2)nn1 ZINC000851707998 731484518 /nfs/dbraw/zinc/48/45/18/731484518.db2.gz OTXPVJGRSITZHW-UHFFFAOYSA-N -1 3 368.409 3.128 20 0 FGADHM CC[C@@H](NC(=O)N1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1)C1CCCC1 ZINC000852375164 731577369 /nfs/dbraw/zinc/57/73/69/731577369.db2.gz ZSCYVDNKYTVGTI-BNOWGMLFSA-N -1 3 363.424 3.054 20 0 FGADHM CCc1cc2c(CN[C@](C)(COC)C(F)(F)F)cc(=O)oc2cc1[O-] ZINC000852717118 731623403 /nfs/dbraw/zinc/62/34/03/731623403.db2.gz DMWXRGMXALITDS-MRXNPFEDSA-N -1 3 359.344 3.118 20 0 FGADHM Cc1nn(Cc2ccc(C)cc2)c(Cl)c1CN[C@H]1CC=C(C(=O)[O-])C1 ZINC000853034454 731653096 /nfs/dbraw/zinc/65/30/96/731653096.db2.gz BMKJMUOWWCBGBW-INIZCTEOSA-N -1 3 359.857 3.465 20 0 FGADHM CC[C@H](C(=O)Nc1cccc(C(C)=O)c1[O-])N(C)C(=O)OC(C)(C)C ZINC000854469207 731831719 /nfs/dbraw/zinc/83/17/19/731831719.db2.gz XWINWOIERNQCKK-CQSZACIVSA-N -1 3 350.415 3.179 20 0 FGADHM O=C(C[N-]C(=O)C(F)(F)C1CCOCC1)c1c(Cl)cccc1Cl ZINC000855126247 731900540 /nfs/dbraw/zinc/90/05/40/731900540.db2.gz FBWCRMPJNNJPRP-UHFFFAOYSA-N -1 3 366.191 3.354 20 0 FGADHM CCOC(=O)C[C@H](NC(=O)c1cc2sccc2c([O-])c1)C(F)(F)F ZINC000855517291 731933771 /nfs/dbraw/zinc/93/37/71/731933771.db2.gz OYPIHPITCUENOM-LBPRGKRZSA-N -1 3 361.341 3.221 20 0 FGADHM Cc1ncc2c(n1)CCC[C@@H]2NC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000857131802 732104958 /nfs/dbraw/zinc/10/49/58/732104958.db2.gz JWWBJFIPCVQLLD-HNNXBMFYSA-N -1 3 351.328 3.317 20 0 FGADHM Cc1cc(C)cc([C@@H](O)CNC(=O)c2cc([O-])cc(C(F)(F)F)c2)c1 ZINC000857245570 732114747 /nfs/dbraw/zinc/11/47/47/732114747.db2.gz RSEFONMQEFVNAP-INIZCTEOSA-N -1 3 353.340 3.491 20 0 FGADHM CC(C)(C)OC(=O)c1ccsc1[N-]C(=O)c1noc2c1COCC2 ZINC000857863345 732164056 /nfs/dbraw/zinc/16/40/56/732164056.db2.gz VOYHLPXJVWLKOB-UHFFFAOYSA-N -1 3 350.396 3.016 20 0 FGADHM CC(C)(C)[C@@H](Cn1ccnc1)NC(=O)c1cc([O-])cc(Br)c1 ZINC000858727890 732241945 /nfs/dbraw/zinc/24/19/45/732241945.db2.gz RVJKHQICJGMUOV-CQSZACIVSA-N -1 3 366.259 3.196 20 0 FGADHM O=C(NCc1nc2c(s1)CCCC2)c1cc([O-])cc(Br)c1 ZINC000859109813 732278848 /nfs/dbraw/zinc/27/88/48/732278848.db2.gz VHGDNNPTNRILGN-UHFFFAOYSA-N -1 3 367.268 3.420 20 0 FGADHM O=C(OCc1cc(=O)[n-]c(C2CC2)n1)[C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21 ZINC000860278549 732487605 /nfs/dbraw/zinc/48/76/05/732487605.db2.gz QMYBYJWLDAOFAU-HYVNUMGLSA-N -1 3 356.809 3.342 20 0 FGADHM CC(C)CNC(=O)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000864417531 733054003 /nfs/dbraw/zinc/05/40/03/733054003.db2.gz KIYIPESTUVKQOW-GFCCVEGCSA-N -1 3 357.376 3.024 20 0 FGADHM Cc1ccc(C[S@@](=O)Cc2nc(C(F)(F)F)cc(=O)[n-]2)nc1Cl ZINC000864472133 733059067 /nfs/dbraw/zinc/05/90/67/733059067.db2.gz MWCJSEAGWVEOIX-HSZRJFAPSA-N -1 3 365.764 3.007 20 0 FGADHM COc1ccc(F)c(OC)c1C(=O)[N-]c1nnc(CC(F)(F)F)s1 ZINC000866736007 733390344 /nfs/dbraw/zinc/39/03/44/733390344.db2.gz UHGVNTWQHNIOOS-UHFFFAOYSA-N -1 3 365.308 3.052 20 0 FGADHM CCO[C@H]1COCC[C@@H]1CC(=O)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000866863228 733402300 /nfs/dbraw/zinc/40/23/00/733402300.db2.gz PLKJTPQLHWASNK-HIFRSBDPSA-N -1 3 361.360 3.085 20 0 FGADHM CCCCS(=O)(=O)[N-]Cc1nc(-c2ccsc2C(F)(F)F)no1 ZINC000867155284 733447157 /nfs/dbraw/zinc/44/71/57/733447157.db2.gz RTVKOTAQBCBGML-UHFFFAOYSA-N -1 3 369.390 3.036 20 0 FGADHM Cn1cc(S(=O)(=O)[N-]c2cc(Cl)cnc2Cl)c(C(C)(C)C)n1 ZINC000872004441 735572802 /nfs/dbraw/zinc/57/28/02/735572802.db2.gz GUDMSJSSYPRZRH-UHFFFAOYSA-N -1 3 363.270 3.220 20 0 FGADHM C[C@H](NCc1ccc(S(C)(=O)=O)c(Cl)c1)c1cccc([O-])c1F ZINC000872065989 735583719 /nfs/dbraw/zinc/58/37/19/735583719.db2.gz IGALYWUCXKLYKC-JTQLQIEISA-N -1 3 357.834 3.439 20 0 FGADHM O=C([O-])c1ccc(CN2CC[C@H]3CSC[C@@H]3C2)c(Br)c1 ZINC000872163572 735597987 /nfs/dbraw/zinc/59/79/87/735597987.db2.gz JKQOPZIOUNGBLT-STQMWFEESA-N -1 3 356.285 3.332 20 0 FGADHM O=C(NCc1ccc([O-])c(Br)c1)N1CC[C@@H]2CSC[C@@H]2C1 ZINC000875390377 735984379 /nfs/dbraw/zinc/98/43/79/735984379.db2.gz CSHJOMOQZFMXOF-NEPJUHHUSA-N -1 3 371.300 3.049 20 0 FGADHM COC(=O)c1sc([N-]C(=O)c2scnc2C(F)F)nc1C1CC1 ZINC000875501690 735997488 /nfs/dbraw/zinc/99/74/88/735997488.db2.gz CSFPPBAIIPWDRQ-UHFFFAOYSA-N -1 3 359.379 3.454 20 0 FGADHM CN(Cc1cc(Cl)cc(Cl)c1)Cc1nc2c(c(=O)[n-]1)COCC2 ZINC000877972888 736750918 /nfs/dbraw/zinc/75/09/18/736750918.db2.gz IMFXBRSCBIQIRZ-UHFFFAOYSA-N -1 3 354.237 3.194 20 0 FGADHM COc1cccc([C@@H](C)CCCC(=O)NCc2cc(=O)[n-]c(=S)[nH]2)c1 ZINC000880513933 737182288 /nfs/dbraw/zinc/18/22/88/737182288.db2.gz NLSPGELBDMXACH-LBPRGKRZSA-N -1 3 361.467 3.070 20 0 FGADHM COc1cccc([C@H](C)CCCC(=O)NCc2cc(=O)[n-]c(=S)[nH]2)c1 ZINC000880513932 737182478 /nfs/dbraw/zinc/18/24/78/737182478.db2.gz NLSPGELBDMXACH-GFCCVEGCSA-N -1 3 361.467 3.070 20 0 FGADHM CC[C@@H](C(=O)NCc1cc(=O)[n-]c(=S)[nH]1)c1cccc(C(F)(F)F)c1 ZINC000880515086 737183107 /nfs/dbraw/zinc/18/31/07/737183107.db2.gz OUMAPSBHFMPZOR-GFCCVEGCSA-N -1 3 371.384 3.300 20 0 FGADHM C[C@@]1(CS(=O)(=O)[N-]CC(=O)c2cc3ccccc3s2)CC1(F)F ZINC000882500210 737461273 /nfs/dbraw/zinc/46/12/73/737461273.db2.gz YYWSLLAJQBMVKQ-AWEZNQCLSA-N -1 3 359.419 3.049 20 0 FGADHM COC(=O)c1c(Cl)cccc1S(=O)(=O)[N-]CC(C)(C)CC(F)F ZINC000882578414 737469849 /nfs/dbraw/zinc/46/98/49/737469849.db2.gz SJGJAXWJIAGSCB-UHFFFAOYSA-N -1 3 369.817 3.086 20 0 FGADHM Cc1cc(=O)[n-]c(N2CCN(c3ccc4cnc(Cl)cc4c3)CC2)n1 ZINC000884705238 737687706 /nfs/dbraw/zinc/68/77/06/737687706.db2.gz LUYCTMXFRWQLDH-UHFFFAOYSA-N -1 3 355.829 3.019 20 0 FGADHM O=C(c1cc([O-])cc(Br)c1)N1CCC[C@H](C2CCOCC2)C1 ZINC000886162894 739225245 /nfs/dbraw/zinc/22/52/45/739225245.db2.gz BLIKAVUCQKMOPM-ZDUSSCGKSA-N -1 3 368.271 3.434 20 0 FGADHM Cc1cc(=O)[n-]c(N2CCN(Cc3cccc(Cl)c3Cl)CC2)n1 ZINC000886657902 739278854 /nfs/dbraw/zinc/27/88/54/739278854.db2.gz HZCUCWJUIDIAOL-UHFFFAOYSA-N -1 3 353.253 3.120 20 0 FGADHM Cc1nc(C2CCC2)sc1CC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000888690401 739562266 /nfs/dbraw/zinc/56/22/66/739562266.db2.gz CFKMGMOBXKCGRN-UHFFFAOYSA-N -1 3 354.439 3.080 20 0 FGADHM Cc1nc(C2CCC2)sc1CC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000888690401 739562270 /nfs/dbraw/zinc/56/22/70/739562270.db2.gz CFKMGMOBXKCGRN-UHFFFAOYSA-N -1 3 354.439 3.080 20 0 FGADHM CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc([O-])ccc1Cl)C2 ZINC000890283065 739775816 /nfs/dbraw/zinc/77/58/16/739775816.db2.gz GVNNCTDWOBAFNS-ONERCXAPSA-N -1 3 366.845 3.316 20 0 FGADHM Cc1nc(C)c(CC(=O)Nc2nc3c(s2)C[C@@H](C(C)C)CC3)c(=O)[n-]1 ZINC000890596044 739813006 /nfs/dbraw/zinc/81/30/06/739813006.db2.gz SLYHOPDUAXYHEJ-LBPRGKRZSA-N -1 3 360.483 3.198 20 0 FGADHM CN(Cc1ccc([O-])c(F)c1)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000892236842 739978515 /nfs/dbraw/zinc/97/85/15/739978515.db2.gz GLUTURGGXIDPDU-AWEZNQCLSA-N -1 3 355.818 3.145 20 0 FGADHM CCOC(=O)c1ccnc([N-]C(=O)c2coc(C(C)(C)C)n2)c1Cl ZINC000892801969 740044882 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LGZKCUVGUOEWGQ-MRVPVSSYSA-N -1 3 350.421 3.212 20 0 FGADHM Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000079380009 494442914 /nfs/dbraw/zinc/44/29/14/494442914.db2.gz ZFDKMEGJRLMMTL-ROUUACIJSA-N -1 3 363.421 3.282 20 0 FGADHM Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000079380009 494442922 /nfs/dbraw/zinc/44/29/22/494442922.db2.gz ZFDKMEGJRLMMTL-ROUUACIJSA-N -1 3 363.421 3.282 20 0 FGADHM O=S(=O)([N-]CCCCOCCc1ccccc1)c1ccc(F)c(F)c1 ZINC000056110289 494456767 /nfs/dbraw/zinc/45/67/67/494456767.db2.gz VUTYRURSOGQFKW-UHFFFAOYSA-N -1 3 369.433 3.283 20 0 FGADHM Cc1nc(C)c(CCC(=O)N(C)[C@H](C)c2cc3ccccc3o2)c(=O)[n-]1 ZINC000073982481 494460427 /nfs/dbraw/zinc/46/04/27/494460427.db2.gz XRNYLTZJYMFKSV-CYBMUJFWSA-N -1 3 353.422 3.285 20 0 FGADHM Cc1ccnc(-c2ccc(NCc3nc(C(F)(F)F)cc(=O)[n-]3)cc2)n1 ZINC000090371533 494460511 /nfs/dbraw/zinc/46/05/11/494460511.db2.gz OEXMRIOZTOGREN-UHFFFAOYSA-N -1 3 361.327 3.166 20 0 FGADHM O=S(=O)([N-]C1(CF)CCC1)c1ccc(Cl)cc1Br ZINC000577390140 505719459 /nfs/dbraw/zinc/71/94/59/505719459.db2.gz IFJOCFJCBLQBIB-UHFFFAOYSA-N -1 3 356.644 3.273 20 0 FGADHM Cc1cc([N-]C(=O)[C@@H](C)Nc2ccc(OCc3ccccc3)nc2)on1 ZINC000056199237 494470753 /nfs/dbraw/zinc/47/07/53/494470753.db2.gz GNRLOLSVVTXWKN-CQSZACIVSA-N -1 3 352.394 3.396 20 0 FGADHM Cc1ccc(Cl)c(O[C@H](C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)c1 ZINC000020497876 494474364 /nfs/dbraw/zinc/47/43/64/494474364.db2.gz PZNVZCLSSWGHSV-LLVKDONJSA-N -1 3 357.801 3.235 20 0 FGADHM Cc1ccc(Cl)c(O[C@H](C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)c1 ZINC000020497876 494474365 /nfs/dbraw/zinc/47/43/65/494474365.db2.gz PZNVZCLSSWGHSV-LLVKDONJSA-N -1 3 357.801 3.235 20 0 FGADHM Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000020495330 494474399 /nfs/dbraw/zinc/47/43/99/494474399.db2.gz XAOLBFRORUGEKC-NSHDSACASA-N -1 3 357.801 3.235 20 0 FGADHM Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000020495330 494474400 /nfs/dbraw/zinc/47/44/00/494474400.db2.gz XAOLBFRORUGEKC-NSHDSACASA-N -1 3 357.801 3.235 20 0 FGADHM C[C@@H](NCC[N-]S(=O)(=O)c1cccs1)c1cc2ccccc2o1 ZINC000090604069 494486187 /nfs/dbraw/zinc/48/61/87/494486187.db2.gz SMXFOLUPOHXFQI-GFCCVEGCSA-N -1 3 350.465 3.123 20 0 FGADHM CS(=O)(=O)[N-]c1ccc(C(=O)N(Cc2ccc(F)cc2)C2CC2)cc1 ZINC000021069256 494487514 /nfs/dbraw/zinc/48/75/14/494487514.db2.gz ZOEUOQDUYHIQOV-UHFFFAOYSA-N -1 3 362.426 3.002 20 0 FGADHM CNC(=O)c1cc(NC(=O)c2c[n-]nc2-c2ccccc2)ccc1Cl ZINC000079649293 494500529 /nfs/dbraw/zinc/50/05/29/494500529.db2.gz OSGYHVPBPWEADB-UHFFFAOYSA-N -1 3 354.797 3.342 20 0 FGADHM CC(C)Nc1ccc(F)cc1NC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000074254559 494505220 /nfs/dbraw/zinc/50/52/20/494505220.db2.gz QTGUGNSLCHWGOQ-UHFFFAOYSA-N -1 3 365.430 3.270 20 0 FGADHM COc1ccc(CC[C@@H](C)NC(=O)c2cc(=O)c3ccccc3[n-]2)cc1 ZINC000067298540 494511237 /nfs/dbraw/zinc/51/12/37/494511237.db2.gz AXPLLMXSEFDJRJ-CQSZACIVSA-N -1 3 350.418 3.288 20 0 FGADHM CC(C)Oc1ccc(S(=O)(=O)[N-]c2cccc(C[S@](C)=O)c2)cc1 ZINC000091017699 494511277 /nfs/dbraw/zinc/51/12/77/494511277.db2.gz IXGGBEASEUIGMP-HSZRJFAPSA-N -1 3 367.492 3.153 20 0 FGADHM COC[C@H]([N-]S(=O)(=O)c1ccc(C)c(F)c1)c1ccc(F)c(F)c1 ZINC000091056604 494521037 /nfs/dbraw/zinc/52/10/37/494521037.db2.gz FXMMTEIJECOYBL-INIZCTEOSA-N -1 3 359.369 3.078 20 0 FGADHM Cc1c2ccccc2oc1C(=O)Nc1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000046409039 494525240 /nfs/dbraw/zinc/52/52/40/494525240.db2.gz BHIILKASWACXKC-FQEVSTJZSA-N -1 3 363.373 3.048 20 0 FGADHM C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000023507747 494569252 /nfs/dbraw/zinc/56/92/52/494569252.db2.gz HXDPHYBOCPMWMW-NSHDSACASA-N -1 3 368.405 3.170 20 0 FGADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N(Cc1ccc(F)cc1)CC1CC1 ZINC000115639037 494580162 /nfs/dbraw/zinc/58/01/62/494580162.db2.gz FDYVJYLGGHDWPL-UHFFFAOYSA-N -1 3 367.380 3.153 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)c1ccc(C(=O)OC)o1)c1ccc(Cl)cc1 ZINC000107698785 494586181 /nfs/dbraw/zinc/58/61/81/494586181.db2.gz OZNLFCVQJQVUSY-LBPRGKRZSA-N -1 3 357.815 3.149 20 0 FGADHM CC[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1 ZINC000092297715 494588357 /nfs/dbraw/zinc/58/83/57/494588357.db2.gz VWROAJMGTRPPSF-CHWSQXEVSA-N -1 3 374.572 3.166 20 0 FGADHM Cc1cc(C)c2c(=O)[n-]c(SCC(=O)N([C@@H](C)C3CC3)C3CC3)nc2n1 ZINC000080093281 494592289 /nfs/dbraw/zinc/59/22/89/494592289.db2.gz KTCPJERWVRJOMT-LBPRGKRZSA-N -1 3 372.494 3.229 20 0 FGADHM CCCCN(C)[C@H](C)c1nc(=O)c2c(C)c(C(=O)OCC)sc2[n-]1 ZINC000023991768 494592878 /nfs/dbraw/zinc/59/28/78/494592878.db2.gz AFAWZBKZSSEDBB-LLVKDONJSA-N -1 3 351.472 3.263 20 0 FGADHM Cc1nc([C@H]([N-]S(=O)(=O)CCC(C)C)c2ccc(Cl)cc2)no1 ZINC000092335849 494597862 /nfs/dbraw/zinc/59/78/62/494597862.db2.gz IFCBTCJBSCCORC-CQSZACIVSA-N -1 3 357.863 3.086 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H]3CCCC[C@H]3n3cccn3)nc2)n1 ZINC000074775964 494598044 /nfs/dbraw/zinc/59/80/44/494598044.db2.gz UIZPFVYXPXWESP-IAGOWNOFSA-N -1 3 364.453 3.187 20 0 FGADHM COc1cccc(-c2nsc([N-]C(=O)c3cn(CCC(C)C)nn3)n2)c1 ZINC000131397742 494606544 /nfs/dbraw/zinc/60/65/44/494606544.db2.gz VFBJCIBNJUHROE-UHFFFAOYSA-N -1 3 372.454 3.104 20 0 FGADHM CCOc1cc(C(=O)N(C)C)ccc1NC(=O)c1cc(CC)ccc1[O-] ZINC000092421606 494620879 /nfs/dbraw/zinc/62/08/79/494620879.db2.gz DFVWFOYTRMDBNK-UHFFFAOYSA-N -1 3 356.422 3.307 20 0 FGADHM CN(C)C(=O)c1cc([N-]C(=O)c2cc(-c3cccc(Cl)c3)no2)ccn1 ZINC000126079476 494629809 /nfs/dbraw/zinc/62/98/09/494629809.db2.gz KKCJYURLSRKSIG-UHFFFAOYSA-N -1 3 370.796 3.344 20 0 FGADHM O=C([O-])c1cccc(OCCN2CCC[C@H]2c2cccc3c2OCCO3)c1 ZINC000580319809 505732549 /nfs/dbraw/zinc/73/25/49/505732549.db2.gz ZRIUDRGMMGFLPI-SFHVURJKSA-N -1 3 369.417 3.372 20 0 FGADHM O=[S@](CCCCCn1nnc(-c2ccccc2)n1)c1ccc([O-])cc1 ZINC000108084557 494645219 /nfs/dbraw/zinc/64/52/19/494645219.db2.gz QQYORRXNIYNAKF-VWLOTQADSA-N -1 3 356.451 3.024 20 0 FGADHM COc1ccccc1[C@H]([N-]S(=O)(=O)c1ccc(F)cc1)c1ccccn1 ZINC000121206089 494645658 /nfs/dbraw/zinc/64/56/58/494645658.db2.gz BNIJYEXEBIYLSZ-IBGZPJMESA-N -1 3 372.421 3.297 20 0 FGADHM Cc1noc2ncc(C(=O)[N-]c3nnc(Cc4ccccc4F)s3)cc12 ZINC000108209273 494664002 /nfs/dbraw/zinc/66/40/02/494664002.db2.gz KBXQACOFONHAFJ-UHFFFAOYSA-N -1 3 369.381 3.365 20 0 FGADHM C[C@H](CC(=O)Nc1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1)c1cccc(F)c1 ZINC000115997771 494675362 /nfs/dbraw/zinc/67/53/62/494675362.db2.gz YWNTZIYEYYRPEU-MPBGBICISA-N -1 3 369.396 3.013 20 0 FGADHM C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000024882648 494675584 /nfs/dbraw/zinc/67/55/84/494675584.db2.gz RBJWDQYWLGGWOE-NSHDSACASA-N -1 3 368.842 3.118 20 0 FGADHM O=C(N[C@@H](c1noc(Cc2ccc([O-])c(F)c2)n1)C1CC1)c1ccccc1 ZINC000574272718 505734914 /nfs/dbraw/zinc/73/49/14/505734914.db2.gz UTMBQJDSZMYVEX-GOSISDBHSA-N -1 3 367.380 3.386 20 0 FGADHM C[C@@H](CC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)c1ccc(F)cc1 ZINC000080336733 494678673 /nfs/dbraw/zinc/67/86/73/494678673.db2.gz TYDMCKVLNWBLRW-HNNXBMFYSA-N -1 3 370.424 3.010 20 0 FGADHM CN(CCC1CCOCC1)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000126235296 494681397 /nfs/dbraw/zinc/68/13/97/494681397.db2.gz UXGGUEQMVDCBNT-UHFFFAOYSA-N -1 3 371.275 3.113 20 0 FGADHM COc1cccc(C(=O)NCCc2ccc(Br)s2)c1[O-] ZINC000121294800 494686144 /nfs/dbraw/zinc/68/61/44/494686144.db2.gz VGPLQCIRADEWLL-UHFFFAOYSA-N -1 3 356.241 3.197 20 0 FGADHM CSCCc1ccc([N-]S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 ZINC000067899604 494687193 /nfs/dbraw/zinc/68/71/93/494687193.db2.gz IYJYRDXSFKUPNR-UHFFFAOYSA-N -1 3 364.492 3.351 20 0 FGADHM Cc1noc(CSCc2nc(=O)c3c(-c4ccco4)csc3[n-]2)n1 ZINC000108409235 494701638 /nfs/dbraw/zinc/70/16/38/494701638.db2.gz DIWUYCVSCIGQNE-UHFFFAOYSA-N -1 3 360.420 3.369 20 0 FGADHM CCOc1ccccc1C(=O)N1CCC[C@H]1C(=O)Nc1ccccc1[O-] ZINC000047430832 494705399 /nfs/dbraw/zinc/70/53/99/494705399.db2.gz VHLYMGYSBORMMT-INIZCTEOSA-N -1 3 354.406 3.034 20 0 FGADHM Cc1csc([C@H](C)[N-]S(=O)(=O)c2ccccc2OC(F)(F)F)n1 ZINC000067950980 494706723 /nfs/dbraw/zinc/70/67/23/494706723.db2.gz CSCPHWHOIQTBAW-VIFPVBQESA-N -1 3 366.386 3.390 20 0 FGADHM C[C@@H](CC(=O)Nc1ccccc1[N-]S(C)(=O)=O)c1cccc(F)c1 ZINC000116170108 494721885 /nfs/dbraw/zinc/72/18/85/494721885.db2.gz NZGANCOQHBAUGS-LBPRGKRZSA-N -1 3 350.415 3.330 20 0 FGADHM Cc1cc(F)c(S(=O)(=O)[N-][C@@H](CCCO)c2ccccc2)cc1F ZINC000121409590 494744267 /nfs/dbraw/zinc/74/42/67/494744267.db2.gz BGRNFRCXCUQABW-INIZCTEOSA-N -1 3 355.406 3.065 20 0 FGADHM O=c1[n-]c(CSCCCNc2ncccn2)nc2c3ccccc3oc21 ZINC000068068449 494750180 /nfs/dbraw/zinc/75/01/80/494750180.db2.gz QNOQIZCSGLTHLN-UHFFFAOYSA-N -1 3 367.434 3.195 20 0 FGADHM O=C(CSc1nnc([N-]c2ccccc2F)s1)NCC1CCC1 ZINC000108659782 494757217 /nfs/dbraw/zinc/75/72/17/494757217.db2.gz WOZFQQSQLZNKFW-UHFFFAOYSA-N -1 3 352.460 3.429 20 0 FGADHM Cc1ccc(C(=O)Nc2ccc(C)c(N3CCCS3(=O)=O)c2)c([O-])c1C ZINC000131942404 494779941 /nfs/dbraw/zinc/77/99/41/494779941.db2.gz MJHGKTHKIFELQB-UHFFFAOYSA-N -1 3 374.462 3.110 20 0 FGADHM CCOc1cc(CNCc2nncn2-c2ccccc2)cc(Cl)c1[O-] ZINC000571474369 505741331 /nfs/dbraw/zinc/74/13/31/505741331.db2.gz PKFPSYGIOZSBLO-UHFFFAOYSA-N -1 3 358.829 3.315 20 0 FGADHM Cn1cc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)c(-c2ccccc2Cl)n1 ZINC000108785659 494786580 /nfs/dbraw/zinc/78/65/80/494786580.db2.gz XTQIDCTWUHPKDZ-UHFFFAOYSA-N -1 3 370.722 3.130 20 0 FGADHM Cn1cc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)c(-c2ccccc2Cl)n1 ZINC000108785659 494786588 /nfs/dbraw/zinc/78/65/88/494786588.db2.gz XTQIDCTWUHPKDZ-UHFFFAOYSA-N -1 3 370.722 3.130 20 0 FGADHM C[C@H]1[C@H](C(=O)[O-])CCN1CCOc1ccc(Cl)cc1Br ZINC000092925450 494787423 /nfs/dbraw/zinc/78/74/23/494787423.db2.gz PUUFNOUPFVBHSQ-GXSJLCMTSA-N -1 3 362.651 3.276 20 0 FGADHM COc1ccc([C@@H]2[C@H](C(=O)Nc3cc(Cl)ccc3[O-])CC(=O)N2C)cc1 ZINC000116443457 494788098 /nfs/dbraw/zinc/78/80/98/494788098.db2.gz CYACKWMYLTXSLJ-RDTXWAMCSA-N -1 3 374.824 3.212 20 0 FGADHM O=C(N[C@@H](c1c[nH]c2ccccc21)C(F)(F)F)c1cccc2nn[n-]c21 ZINC000574301549 505741801 /nfs/dbraw/zinc/74/18/01/505741801.db2.gz OISCTCQUANKGBA-HNNXBMFYSA-N -1 3 359.311 3.473 20 0 FGADHM O=C(N[C@@H](c1c[nH]c2ccccc21)C(F)(F)F)c1cccc2[n-]nnc21 ZINC000574301549 505741803 /nfs/dbraw/zinc/74/18/03/505741803.db2.gz OISCTCQUANKGBA-HNNXBMFYSA-N -1 3 359.311 3.473 20 0 FGADHM O=C(N[C@@H](c1c[nH]c2ccccc21)C(F)(F)F)c1cccc2n[n-]nc21 ZINC000574301549 505741805 /nfs/dbraw/zinc/74/18/05/505741805.db2.gz OISCTCQUANKGBA-HNNXBMFYSA-N -1 3 359.311 3.473 20 0 FGADHM O=C(c1cccc([O-])c1)N1CCN(Cc2cccc(-c3cccnc3)c2)CC1 ZINC000092937665 494792243 /nfs/dbraw/zinc/79/22/43/494792243.db2.gz ZPUVORGLCWNLDT-UHFFFAOYSA-N -1 3 373.456 3.412 20 0 FGADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(-n3ccnc3)cc2)cc1C ZINC000126572479 494793018 /nfs/dbraw/zinc/79/30/18/494793018.db2.gz BDQOUJPTUFZMGY-UHFFFAOYSA-N -1 3 357.435 3.299 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N[C@@H]3CCc4c3cccc4O)c[n-]c12 ZINC000131985875 494793231 /nfs/dbraw/zinc/79/32/31/494793231.db2.gz WQKDYABOOOGXLZ-MRXNPFEDSA-N -1 3 352.365 3.099 20 0 FGADHM COc1ccc2ncc(C(=O)[O-])c(N3CCC[C@@H]([C@H]4CCOC4)C3)c2c1 ZINC000568637080 505742279 /nfs/dbraw/zinc/74/22/79/505742279.db2.gz GZTZBYJDPNOULL-KGLIPLIRSA-N -1 3 356.422 3.195 20 0 FGADHM COc1cc(C)c([C@@H](C)NC(=O)c2c[n-]nc2-c2ccccn2)cc1OC ZINC000571485840 505743734 /nfs/dbraw/zinc/74/37/34/505743734.db2.gz ORFQAHTYQZCSQA-CYBMUJFWSA-N -1 3 366.421 3.288 20 0 FGADHM COc1ccc([O-])c(C(=O)N[C@@H](C)c2nc(-c3ccncc3)cs2)c1 ZINC000126726649 494826902 /nfs/dbraw/zinc/82/69/02/494826902.db2.gz BKFFMFBGSMZSOJ-NSHDSACASA-N -1 3 355.419 3.410 20 0 FGADHM C[C@@H]1CN(c2ccc(C(=O)Nc3cc(Cl)ccc3[O-])cn2)C[C@@H](C)O1 ZINC000109091677 494830930 /nfs/dbraw/zinc/83/09/30/494830930.db2.gz ALOUNFGWGWZJHW-VXGBXAGGSA-N -1 3 361.829 3.307 20 0 FGADHM Cc1nn2c(nnc2SCCOc2cc(Cl)cc(Cl)c2)[n-]c1=O ZINC000126746181 494831350 /nfs/dbraw/zinc/83/13/50/494831350.db2.gz NJIIORLQLPWTEU-UHFFFAOYSA-N -1 3 372.237 3.011 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N(C)c3nc4ccccc4n3C)c[n-]c12 ZINC000132208380 494839229 /nfs/dbraw/zinc/83/92/29/494839229.db2.gz GGSIPFJGZISPNY-UHFFFAOYSA-N -1 3 364.380 3.139 20 0 FGADHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C[S@@](C)=O)c2C)cc1 ZINC000116711919 494842702 /nfs/dbraw/zinc/84/27/02/494842702.db2.gz FDNVHRWTZFJDLE-QHCPKHFHSA-N -1 3 367.492 3.073 20 0 FGADHM COc1ccc(C(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1-c1ccccn1 ZINC000121714249 494843941 /nfs/dbraw/zinc/84/39/41/494843941.db2.gz SJVHZCQNUUAGNU-UHFFFAOYSA-N -1 3 372.388 3.190 20 0 FGADHM COc1ccc(C(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1-c1ccccn1 ZINC000121714249 494843946 /nfs/dbraw/zinc/84/39/46/494843946.db2.gz SJVHZCQNUUAGNU-UHFFFAOYSA-N -1 3 372.388 3.190 20 0 FGADHM COc1ccccc1[C@@H](CNC(=O)c1cc(C)ccc1[O-])N1CCCC1 ZINC000027570047 494874384 /nfs/dbraw/zinc/87/43/84/494874384.db2.gz SSIJBDGEOZZEBE-GOSISDBHSA-N -1 3 354.450 3.276 20 0 FGADHM COc1ccccc1-c1noc(CSc2n[n-]c(-c3ccccn3)n2)n1 ZINC000117115455 494893370 /nfs/dbraw/zinc/89/33/70/494893370.db2.gz RYWDPXBGNYAZHF-UHFFFAOYSA-N -1 3 366.406 3.218 20 0 FGADHM O=C(CSCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1)N1CCC1 ZINC000109676342 494904824 /nfs/dbraw/zinc/90/48/24/494904824.db2.gz TZOISSXBGYMYCU-UHFFFAOYSA-N -1 3 371.487 3.117 20 0 FGADHM Cc1ccc(C(=O)N2CCC(C3N=NC(=S)N3C(C)C)CC2)c([O-])c1 ZINC000109689071 494908437 /nfs/dbraw/zinc/90/84/37/494908437.db2.gz IHVLNAPPPKSTMT-UHFFFAOYSA-N -1 3 360.483 3.182 20 0 FGADHM CCN(CC)[C@H](C[N-]S(=O)(=O)Cc1ccc(F)cc1F)c1ccco1 ZINC000127264965 494918772 /nfs/dbraw/zinc/91/87/72/494918772.db2.gz BUIFKZLLUZOARJ-MRXNPFEDSA-N -1 3 372.437 3.060 20 0 FGADHM CCc1cccc(C(=O)N2CSC[C@H]2C(=O)Nc2ccccc2C)c1[O-] ZINC000094089848 494947325 /nfs/dbraw/zinc/94/73/25/494947325.db2.gz LHDQBGDAWBOBST-KRWDZBQOSA-N -1 3 370.474 3.417 20 0 FGADHM O=C(c1ccc(Br)cc1[O-])N1CCC[C@H]1CN1CCCCC1 ZINC000094101290 494949195 /nfs/dbraw/zinc/94/91/95/494949195.db2.gz PFTJOGOZAGTEGL-AWEZNQCLSA-N -1 3 367.287 3.245 20 0 FGADHM CC(C)c1ccc(OCC(=O)[N-]c2nncn2Cc2ccccc2)cc1 ZINC000117734077 494950547 /nfs/dbraw/zinc/95/05/47/494950547.db2.gz JXRIGXWRBNJHJU-UHFFFAOYSA-N -1 3 350.422 3.467 20 0 FGADHM COc1cc(C)cc(C(=O)Nc2ccc(C)c(C(=O)NC(C)C)c2)c1[O-] ZINC000094125674 494952431 /nfs/dbraw/zinc/95/24/31/494952431.db2.gz VZYMCSOKPJUWAP-UHFFFAOYSA-N -1 3 356.422 3.408 20 0 FGADHM CCc1ccc([O-])c(C(=O)N[C@@H](c2noc(C)n2)c2ccccc2F)c1 ZINC000094150585 494955041 /nfs/dbraw/zinc/95/50/41/494955041.db2.gz HOOOIVHTZPWVET-QGZVFWFLSA-N -1 3 355.369 3.305 20 0 FGADHM Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)NCc1ccc([O-])c(F)c1 ZINC000133002325 494955513 /nfs/dbraw/zinc/95/55/13/494955513.db2.gz ZHSKGTDYUFPFDY-GOSISDBHSA-N -1 3 372.440 3.301 20 0 FGADHM Cc1cccc(C(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)c1C ZINC000133094404 494967928 /nfs/dbraw/zinc/96/79/28/494967928.db2.gz CGOKBNGCUGFJRN-UHFFFAOYSA-N -1 3 362.426 3.136 20 0 FGADHM C[C@H](CSc1ccccc1)C(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000110619654 494994979 /nfs/dbraw/zinc/99/49/79/494994979.db2.gz ZTMKBIPBDMFMKK-CYBMUJFWSA-N -1 3 364.492 3.425 20 0 FGADHM COC[C@@H](NC(=O)c1ccc2n[n-]nc2c1)c1cccc(C(F)(F)F)c1 ZINC000118348806 494996207 /nfs/dbraw/zinc/99/62/07/494996207.db2.gz XJNLESYXOPJUON-OAHLLOKOSA-N -1 3 364.327 3.094 20 0 FGADHM CO[C@@H]([C@@H](C)[N-]S(=O)(=O)c1ccc(-c2csc(C)n2)s1)C1CC1 ZINC000574369789 505756308 /nfs/dbraw/zinc/75/63/08/505756308.db2.gz UNARKRMGTSORPR-PSLIRLAXSA-N -1 3 372.537 3.272 20 0 FGADHM C[C@H]1CCCC[C@H]1NC(=O)Cc1csc(NC(=O)c2cccc([O-])c2)n1 ZINC000118756693 495032386 /nfs/dbraw/zinc/03/23/86/495032386.db2.gz YFGNYZLAACNWQL-BLLLJJGKSA-N -1 3 373.478 3.338 20 0 FGADHM O=C(Cc1csc(NC(=O)c2cccc([O-])c2)n1)Nc1ccc(F)cc1 ZINC000118761793 495032965 /nfs/dbraw/zinc/03/29/65/495032965.db2.gz RSYLCRASKMMKLC-UHFFFAOYSA-N -1 3 371.393 3.421 20 0 FGADHM CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)[N-]c1cccc(-c3ncco3)c1)C(=O)C2 ZINC000133653792 495042210 /nfs/dbraw/zinc/04/22/10/495042210.db2.gz FOCZFSFAAPHIGU-AUUYWEPGSA-N -1 3 374.462 3.479 20 0 FGADHM Cc1csc([C@@H]([N-]S(=O)(=O)Cc2c(F)cccc2F)C2CC2)n1 ZINC000122884867 495046444 /nfs/dbraw/zinc/04/64/44/495046444.db2.gz AZFPIWQELLDLFF-AWEZNQCLSA-N -1 3 358.435 3.300 20 0 FGADHM COc1ccc(CCCCC(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000098097357 495053527 /nfs/dbraw/zinc/05/35/27/495053527.db2.gz SJLFZXOTCGUOBZ-UHFFFAOYSA-N -1 3 351.410 3.227 20 0 FGADHM COc1ccc(CCCCC(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000098097357 495053529 /nfs/dbraw/zinc/05/35/29/495053529.db2.gz SJLFZXOTCGUOBZ-UHFFFAOYSA-N -1 3 351.410 3.227 20 0 FGADHM CCc1cccc(C(=O)N2CCC[C@H](c3nnc4ccccn43)C2)c1[O-] ZINC000133805719 495064636 /nfs/dbraw/zinc/06/46/36/495064636.db2.gz QSMRCQQOWHTINV-HNNXBMFYSA-N -1 3 350.422 3.017 20 0 FGADHM COC(=O)c1c(C)nc(=O)[n-]c1S[C@H]1CCc2c1cccc2Cl ZINC000119000570 495067680 /nfs/dbraw/zinc/06/76/80/495067680.db2.gz YMWVVXKXAXJAPY-LBPRGKRZSA-N -1 3 350.827 3.298 20 0 FGADHM O=C(COc1ccc(Br)cc1F)Nc1cccc([O-])c1F ZINC000128264762 495069542 /nfs/dbraw/zinc/06/95/42/495069542.db2.gz JTZKNDNVVPELLF-UHFFFAOYSA-N -1 3 358.138 3.450 20 0 FGADHM Cc1nc(C)c(CC(=O)N[C@H](c2ccc(CC(C)C)cc2)C2CC2)c(=O)[n-]1 ZINC000101524345 495070768 /nfs/dbraw/zinc/07/07/68/495070768.db2.gz FLRHXWYKHVNDTC-OAQYLSRUSA-N -1 3 367.493 3.395 20 0 FGADHM CCOC(=O)Cc1nnc([N-]C(=O)c2cc3cc(Cl)ccc3o2)s1 ZINC000128290926 495074149 /nfs/dbraw/zinc/07/41/49/495074149.db2.gz JZHZSKRPPHXJGR-UHFFFAOYSA-N -1 3 365.798 3.296 20 0 FGADHM CCc1nc(C(=O)[N-]c2n[nH]c(-c3ccc(Br)cc3)n2)co1 ZINC000133910471 495078979 /nfs/dbraw/zinc/07/89/79/495078979.db2.gz LPKNKVPRETVLDP-UHFFFAOYSA-N -1 3 362.187 3.037 20 0 FGADHM O=C(NCc1cccc(Cn2cnc3ccccc32)c1)c1cncc([O-])c1 ZINC000111583655 495088673 /nfs/dbraw/zinc/08/86/73/495088673.db2.gz LHIZMEGIELRIJX-UHFFFAOYSA-N -1 3 358.401 3.115 20 0 FGADHM COC(=O)[C@@H](C)CN(C)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000101643088 495088951 /nfs/dbraw/zinc/08/89/51/495088951.db2.gz XMOXNSYWYUADEH-HNNXBMFYSA-N -1 3 355.434 3.059 20 0 FGADHM COc1ccc(C(=O)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)c([O-])c1 ZINC000101841390 495102256 /nfs/dbraw/zinc/10/22/56/495102256.db2.gz LTOMBDAVQSPHAY-UHFFFAOYSA-N -1 3 372.396 3.031 20 0 FGADHM O=S(=O)([N-]c1ccc(O[C@H]2CCCC[C@@H]2O)cc1)c1ccc(F)cc1 ZINC000134079980 495103134 /nfs/dbraw/zinc/10/31/34/495103134.db2.gz YOUCGOBLHLQBCY-ROUUACIJSA-N -1 3 365.426 3.309 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-]CCc1c[nH]c2cccc(C)c12 ZINC000123254912 495104265 /nfs/dbraw/zinc/10/42/65/495104265.db2.gz HXYSSJLDCLHMML-UHFFFAOYSA-N -1 3 350.465 3.067 20 0 FGADHM CC(C)c1cc(C(=O)N2CCS(=O)(=O)[C@@H](C)[C@@H]2C)c([O-])c(C(C)C)c1 ZINC000128530036 495111681 /nfs/dbraw/zinc/11/16/81/495111681.db2.gz XJYMLLFAEUVQFR-KBPBESRZSA-N -1 3 367.511 3.287 20 0 FGADHM O=C(Nc1nnc(-c2ccco2)[n-]1)c1cc(N2CCCC2=O)ccc1Cl ZINC000134230542 495124971 /nfs/dbraw/zinc/12/49/71/495124971.db2.gz HDLHYICEFLDIEM-UHFFFAOYSA-N -1 3 371.784 3.097 20 0 FGADHM O=C(Nc1nc(-c2ccco2)n[n-]1)c1cc(N2CCCC2=O)ccc1Cl ZINC000134230542 495124973 /nfs/dbraw/zinc/12/49/73/495124973.db2.gz HDLHYICEFLDIEM-UHFFFAOYSA-N -1 3 371.784 3.097 20 0 FGADHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1cc(N2CCCC2=O)ccc1Cl ZINC000134230542 495124974 /nfs/dbraw/zinc/12/49/74/495124974.db2.gz HDLHYICEFLDIEM-UHFFFAOYSA-N -1 3 371.784 3.097 20 0 FGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)Cc1cc(Cl)ccc1OC ZINC000134291316 495130448 /nfs/dbraw/zinc/13/04/48/495130448.db2.gz CHWQTBYOQMSBSD-UHFFFAOYSA-N -1 3 366.801 3.257 20 0 FGADHM CCOC(=O)c1c(C2CC2)csc1[N-]C(=O)C(=O)N1[C@H](C)CC[C@@H]1C ZINC000134305545 495132834 /nfs/dbraw/zinc/13/28/34/495132834.db2.gz QDKSPGNOAPWACZ-PHIMTYICSA-N -1 3 364.467 3.140 20 0 FGADHM Cn1ncc2c1ncc(C(=O)Nc1cccc(CC(F)(F)F)c1)c2[O-] ZINC000119296305 495136756 /nfs/dbraw/zinc/13/67/56/495136756.db2.gz PDTNMBSFXLJACB-UHFFFAOYSA-N -1 3 350.300 3.031 20 0 FGADHM Cc1ccc(NC(=O)c2oc3ccccc3c2CS(C)(=O)=O)c([O-])c1 ZINC000102466385 495137781 /nfs/dbraw/zinc/13/77/81/495137781.db2.gz IOOIPGYUSNMIKC-UHFFFAOYSA-N -1 3 359.403 3.244 20 0 FGADHM O=S(=O)([N-][C@@H](c1ccccc1)c1ccncc1)c1ccc(Cl)nc1 ZINC000128707365 495139249 /nfs/dbraw/zinc/13/92/49/495139249.db2.gz GXOOHYMDRUEORM-KRWDZBQOSA-N -1 3 359.838 3.198 20 0 FGADHM Cc1ccc(CN(C)C(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])s1 ZINC000102791667 495161983 /nfs/dbraw/zinc/16/19/83/495161983.db2.gz AOZDOSBAZUTKAQ-INIZCTEOSA-N -1 3 358.463 3.025 20 0 FGADHM O=C1[C@H](Sc2n[n-]c(-c3ccccn3)n2)CCCN1c1ccccc1F ZINC000119443341 495168910 /nfs/dbraw/zinc/16/89/10/495168910.db2.gz CMLOLKOHSYPRIT-OAHLLOKOSA-N -1 3 369.425 3.294 20 0 FGADHM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-]c1cc(C)ccc1Cl ZINC000134610315 495175702 /nfs/dbraw/zinc/17/57/02/495175702.db2.gz LKQAKOVKXGOGPC-UHFFFAOYSA-N -1 3 357.790 3.375 20 0 FGADHM CC(C)[C@@H](CC(=O)NCCNC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000103189835 495203186 /nfs/dbraw/zinc/20/31/86/495203186.db2.gz CJICAOBJDZPXEH-LJQANCHMSA-N -1 3 354.450 3.068 20 0 FGADHM O=S(=O)([N-]Cc1ccccc1OCC(F)(F)F)c1ccccc1F ZINC000119663453 495213327 /nfs/dbraw/zinc/21/33/27/495213327.db2.gz CNARJMUGTZMWIK-UHFFFAOYSA-N -1 3 363.332 3.245 20 0 FGADHM Cc1cc(C)c(NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)c(C)c1 ZINC000123966667 495213749 /nfs/dbraw/zinc/21/37/49/495213749.db2.gz QVVJILHABYUSAU-UHFFFAOYSA-N -1 3 367.449 3.307 20 0 FGADHM Cc1nc(-c2ccccc2)sc1C(=O)Nc1cc(-c2nccn2C)[n-]n1 ZINC000119679019 495216916 /nfs/dbraw/zinc/21/69/16/495216916.db2.gz FWFVFWRSPWJLKG-UHFFFAOYSA-N -1 3 364.434 3.494 20 0 FGADHM Cc1nc(-c2ccccc2)sc1C(=O)Nc1cc(-c2nccn2C)n[n-]1 ZINC000119679019 495216919 /nfs/dbraw/zinc/21/69/19/495216919.db2.gz FWFVFWRSPWJLKG-UHFFFAOYSA-N -1 3 364.434 3.494 20 0 FGADHM Cc1cnc([C@H](C)[N-]S(=O)(=O)c2cccc(Br)c2)s1 ZINC000134940653 495227931 /nfs/dbraw/zinc/22/79/31/495227931.db2.gz FNBGHLDWYUKLEH-VIFPVBQESA-N -1 3 361.286 3.254 20 0 FGADHM CC(C)(CO)[C@H](C[N-]S(=O)(=O)c1ccc(Cl)s1)c1ccccc1 ZINC000129318497 495228207 /nfs/dbraw/zinc/22/82/07/495228207.db2.gz FQTLFGSBBQLPJE-CYBMUJFWSA-N -1 3 373.927 3.482 20 0 FGADHM O=c1cc(CN2CCCC[C@@H]2c2nnc(C3CCC3)o2)nc(C2CC2)[n-]1 ZINC000574416656 505768536 /nfs/dbraw/zinc/76/85/36/505768536.db2.gz UOTCXLKGUGBOGI-OAHLLOKOSA-N -1 3 355.442 3.437 20 0 FGADHM O=C(Nc1ccn(CC(F)(F)F)n1)c1c[n-]nc1-c1ccc(F)cc1 ZINC000124081515 495231352 /nfs/dbraw/zinc/23/13/52/495231352.db2.gz 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495358495 /nfs/dbraw/zinc/35/84/95/495358495.db2.gz UPCBSYNGWSWJID-UHFFFAOYSA-N -1 3 361.825 3.190 20 0 FGADHM Cc1csc(C[N-]S(=O)(=O)c2cc(Br)sc2C)n1 ZINC000124968809 495371732 /nfs/dbraw/zinc/37/17/32/495371732.db2.gz JBVAYXGWNOYINF-UHFFFAOYSA-N -1 3 367.315 3.062 20 0 FGADHM COC(=O)c1ccnc([N-]C(=O)c2cc(-c3cccc(Cl)c3)no2)c1 ZINC000114443641 495375087 /nfs/dbraw/zinc/37/50/87/495375087.db2.gz MDCIBKVWVIOEMF-UHFFFAOYSA-N -1 3 357.753 3.429 20 0 FGADHM CC(C)O[C@H]1C[C@@H](NC(=O)c2ccc(C(=O)c3cccc([O-])c3)cc2)C1 ZINC000580523584 505778432 /nfs/dbraw/zinc/77/84/32/505778432.db2.gz WWRDPFCGUWBSFD-IZAXUBKRSA-N -1 3 353.418 3.309 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)NCC2(c3ccc(F)cc3F)CC2)c1 ZINC000130474306 495397653 /nfs/dbraw/zinc/39/76/53/495397653.db2.gz XTMXTFVYHIEHSH-UHFFFAOYSA-N -1 3 360.360 3.090 20 0 FGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1csc(-c2ccc(F)cc2)n1 ZINC000120545335 495402003 /nfs/dbraw/zinc/40/20/03/495402003.db2.gz RKMWMFNPMSNBMS-UHFFFAOYSA-N -1 3 366.381 3.382 20 0 FGADHM 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CCCOc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1OCC ZINC000121066730 495516450 /nfs/dbraw/zinc/51/64/50/495516450.db2.gz NNPWSOUVKUIQIE-UHFFFAOYSA-N -1 3 367.409 3.307 20 0 FGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1cc(-c2cccc(Cl)c2)no1 ZINC000125925680 495519381 /nfs/dbraw/zinc/51/93/81/495519381.db2.gz KXHMDAIBPFASPJ-UHFFFAOYSA-N -1 3 366.768 3.427 20 0 FGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1cc(-c2cccc(Cl)c2)no1 ZINC000125925680 495519383 /nfs/dbraw/zinc/51/93/83/495519383.db2.gz KXHMDAIBPFASPJ-UHFFFAOYSA-N -1 3 366.768 3.427 20 0 FGADHM Cc1cccnc1[C@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)C(C)C ZINC000115583363 495519798 /nfs/dbraw/zinc/51/97/98/495519798.db2.gz ZNSBDGDXQIAFAM-OAHLLOKOSA-N -1 3 358.385 3.483 20 0 FGADHM CC(C)(C)c1noc(OCc2nc(=O)c3c4c(sc3[n-]2)CCCC4)n1 ZINC000107420593 495527384 /nfs/dbraw/zinc/52/73/84/495527384.db2.gz FKKQXHZLWKDACP-UHFFFAOYSA-N -1 3 360.439 3.123 20 0 FGADHM CC(C)Nc1cccc(F)c1[N-]S(=O)(=O)c1ccc2c(c1)OCO2 ZINC000182413476 495554132 /nfs/dbraw/zinc/55/41/32/495554132.db2.gz CJWMQYLNNMUPNE-UHFFFAOYSA-N -1 3 352.387 3.176 20 0 FGADHM O=S(=O)([N-]C[C@H]1CCCCO1)c1cc(C(F)(F)F)ccc1Cl ZINC000145386181 495555170 /nfs/dbraw/zinc/55/51/70/495555170.db2.gz IOYSQKFJCDGWSY-SNVBAGLBSA-N -1 3 357.781 3.206 20 0 FGADHM O=S(=O)([N-]C[C@H]1CCCO[C@@H]1c1ccccc1)c1ccc(F)c(F)c1 ZINC000146340930 495564926 /nfs/dbraw/zinc/56/49/26/495564926.db2.gz JXQHTFMNDKCQLY-RDTXWAMCSA-N -1 3 367.417 3.411 20 0 FGADHM Cc1oc2ccccc2c1C(=O)Nc1cccc([C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000185410161 495567073 /nfs/dbraw/zinc/56/70/73/495567073.db2.gz MXWSAHJOFXYPPI-FQEVSTJZSA-N -1 3 363.373 3.048 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CCCC[C@@H]2C)c1 ZINC000179386652 495571189 /nfs/dbraw/zinc/57/11/89/495571189.db2.gz MYRMNDNRXXDVBP-MEDUHNTESA-N -1 3 357.410 3.249 20 0 FGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(NC(=O)N2CCC(C)(C)C2)ccc1F ZINC000173566081 495589965 /nfs/dbraw/zinc/58/99/65/495589965.db2.gz FXIVLNQCFGCVSE-UHFFFAOYSA-N -1 3 371.478 3.166 20 0 FGADHM CSC1(C[N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)CCOCC1 ZINC000173569076 495592543 /nfs/dbraw/zinc/59/25/43/495592543.db2.gz UIZUVIZBAHKPFQ-UHFFFAOYSA-N -1 3 370.323 3.184 20 0 FGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]C/C=C/c1ccccc1 ZINC000158826389 495596055 /nfs/dbraw/zinc/59/60/55/495596055.db2.gz RCQGZKUTUPCRIA-VMPITWQZSA-N -1 3 365.838 3.118 20 0 FGADHM CC(C)n1[n-]cc/c1=N\C(=O)N(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000158865502 495605088 /nfs/dbraw/zinc/60/50/88/495605088.db2.gz MQUPQWGHYVQAQO-HMMYKYKNSA-N -1 3 371.268 3.219 20 0 FGADHM CNC(=O)c1ccc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)c(Cl)c1 ZINC000158884195 495608909 /nfs/dbraw/zinc/60/89/09/495608909.db2.gz XXKJMBPMFVTHMC-UHFFFAOYSA-N -1 3 366.870 3.426 20 0 FGADHM CC[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000170810669 495612467 /nfs/dbraw/zinc/61/24/67/495612467.db2.gz AQQYEVNGSVNNTN-HKUYNNGSSA-N -1 3 366.461 3.134 20 0 FGADHM O=C(C=Cc1cncc([O-])c1)N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000179510546 495620741 /nfs/dbraw/zinc/62/07/41/495620741.db2.gz OSOWXUIVHYIJHP-ICFOYXHFSA-N -1 3 354.381 3.061 20 0 FGADHM CCOC(=O)c1sc([N-]C(=O)c2snnc2C)nc1-c1ccccc1 ZINC000170844379 495624228 /nfs/dbraw/zinc/62/42/28/495624228.db2.gz ULELLRQZEUEISD-UHFFFAOYSA-N -1 3 374.447 3.399 20 0 FGADHM Cc1cccc([O-])c1NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000179555316 495639474 /nfs/dbraw/zinc/63/94/74/495639474.db2.gz XNLZPLODFPRYLZ-UHFFFAOYSA-N -1 3 374.462 3.128 20 0 FGADHM C[C@@H](CSc1ccccc1)C(=O)NCCCNC(=O)c1cccc([O-])c1 ZINC000154523875 495642992 /nfs/dbraw/zinc/64/29/92/495642992.db2.gz KHGSNDQXDMCXPU-HNNXBMFYSA-N -1 3 372.490 3.057 20 0 FGADHM CS(=O)(=O)[N-]c1cc(NC(=O)[C@H](c2ccccc2)C2CC2)ccc1F ZINC000179565126 495642994 /nfs/dbraw/zinc/64/29/94/495642994.db2.gz ZBHDGXGWHZSHKY-QGZVFWFLSA-N -1 3 362.426 3.330 20 0 FGADHM O=C1[C@@H](NCc2cc([O-])cc(F)c2)CCN1c1ccc(F)c(Cl)c1 ZINC000185619675 495647901 /nfs/dbraw/zinc/64/79/01/495647901.db2.gz QPTXGAJHTPCURV-INIZCTEOSA-N -1 3 352.768 3.219 20 0 FGADHM COc1ccc(Br)c(S(=O)(=O)[N-]CCC2=CCCC2)c1 ZINC000159085857 495655054 /nfs/dbraw/zinc/65/50/54/495655054.db2.gz NCEVTAYKPLNFIK-UHFFFAOYSA-N -1 3 360.273 3.236 20 0 FGADHM O=C(c1cccc([O-])c1)N1CCN(Cc2ncc(Cl)cc2Cl)CC1 ZINC000182670203 495656826 /nfs/dbraw/zinc/65/68/26/495656826.db2.gz GCWWWVHLTSFTDK-UHFFFAOYSA-N -1 3 366.248 3.052 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)C[C@@H]1CCCCO1)c1nc(-c2ccccc2)cs1 ZINC000170960628 495669542 /nfs/dbraw/zinc/66/95/42/495669542.db2.gz WOJYBUDBSXIOSE-HIFRSBDPSA-N -1 3 366.508 3.360 20 0 FGADHM COc1cc(C(=O)N[C@H](C)c2ccccc2-n2cccn2)cc(OC)c1[O-] ZINC000154622741 495675128 /nfs/dbraw/zinc/67/51/28/495675128.db2.gz PFMAVJJVJUVBKG-CYBMUJFWSA-N -1 3 367.405 3.086 20 0 FGADHM COc1ccc(-c2ncc(C(=O)Nc3nnc(C(F)(F)F)[n-]3)s2)cc1 ZINC000173747401 495675260 /nfs/dbraw/zinc/67/52/60/495675260.db2.gz CXLVRGHIIIUUEP-UHFFFAOYSA-N -1 3 369.328 3.208 20 0 FGADHM COc1ccc(-c2ncc(C(=O)Nc3nc(C(F)(F)F)n[n-]3)s2)cc1 ZINC000173747401 495675268 /nfs/dbraw/zinc/67/52/68/495675268.db2.gz CXLVRGHIIIUUEP-UHFFFAOYSA-N -1 3 369.328 3.208 20 0 FGADHM Cc1cccc(F)c1S(=O)(=O)[N-][C@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000185685945 495679068 /nfs/dbraw/zinc/67/90/68/495679068.db2.gz VQAKSYBNCNNFBN-HOTGVXAUSA-N -1 3 371.380 3.221 20 0 FGADHM Cn1nc(C(=O)[N-]c2nnc(CC3CCCCC3)s2)cc1OC(F)F ZINC000185689029 495680886 /nfs/dbraw/zinc/68/08/86/495680886.db2.gz FPFVAPFICIZXPN-UHFFFAOYSA-N -1 3 371.413 3.248 20 0 FGADHM Cc1cc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])c(C)c(C)c1O ZINC000185690354 495681234 /nfs/dbraw/zinc/68/12/34/495681234.db2.gz WDXVWYNJPFCYAB-KRWDZBQOSA-N -1 3 368.433 3.266 20 0 FGADHM CC[C@H](C)c1cc(C(=O)[N-]c2cccc(Cl)c2S(C)(=O)=O)on1 ZINC000173791628 495695148 /nfs/dbraw/zinc/69/51/48/495695148.db2.gz QDYARMSLXANIDG-VIFPVBQESA-N -1 3 356.831 3.497 20 0 FGADHM O=C(c1ccc2n[n-]nc2c1)N(CCc1ccccc1)Cc1ccncc1 ZINC000171038256 495698643 /nfs/dbraw/zinc/69/86/43/495698643.db2.gz FTYBUAHNTYWXRT-UHFFFAOYSA-N -1 3 357.417 3.238 20 0 FGADHM C[C@@]1(CNC(=O)c2cc(F)c([O-])c(F)c2)CCCN1Cc1ccccc1 ZINC000154834741 495743116 /nfs/dbraw/zinc/74/31/16/495743116.db2.gz VGYWEDLZYABVCN-FQEVSTJZSA-N -1 3 360.404 3.455 20 0 FGADHM Cc1cc(F)cc(S(=O)(=O)[N-]c2cc(C(=O)N(C)C)ccc2Cl)c1 ZINC000176685207 495746634 /nfs/dbraw/zinc/74/66/34/495746634.db2.gz ZFUVNRZVBIKRPH-UHFFFAOYSA-N -1 3 370.833 3.290 20 0 FGADHM COc1ccc(C(=O)N2CCC(n3ccc(C(F)(F)F)n3)CC2)c([O-])c1 ZINC000179893698 495773407 /nfs/dbraw/zinc/77/34/07/495773407.db2.gz WZAIAOXLQLTNEQ-UHFFFAOYSA-N -1 3 369.343 3.093 20 0 FGADHM CCCc1nc(C)c(C(=O)Nc2cc(C)ccc2[N-]S(C)(=O)=O)s1 ZINC000173984285 495776618 /nfs/dbraw/zinc/77/66/18/495776618.db2.gz ZCWOOCKLPMMWHQ-UHFFFAOYSA-N -1 3 367.496 3.336 20 0 FGADHM CCOC(C)(C)C[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000159707806 495791946 /nfs/dbraw/zinc/79/19/46/495791946.db2.gz IBESOOMUTBYVPT-UHFFFAOYSA-N -1 3 370.696 3.196 20 0 FGADHM COc1nnc(NC(=O)c2ccc3noc(-c4ccc(F)cc4)c3c2)[n-]1 ZINC000182998909 495792194 /nfs/dbraw/zinc/79/21/94/495792194.db2.gz ZDIAREDAQYRCDK-UHFFFAOYSA-N -1 3 353.313 3.013 20 0 FGADHM COc1nc(NC(=O)c2ccc3noc(-c4ccc(F)cc4)c3c2)n[n-]1 ZINC000182998909 495792196 /nfs/dbraw/zinc/79/21/96/495792196.db2.gz ZDIAREDAQYRCDK-UHFFFAOYSA-N -1 3 353.313 3.013 20 0 FGADHM COc1n[n-]c(NC(=O)c2ccc3noc(-c4ccc(F)cc4)c3c2)n1 ZINC000182998909 495792201 /nfs/dbraw/zinc/79/22/01/495792201.db2.gz ZDIAREDAQYRCDK-UHFFFAOYSA-N -1 3 353.313 3.013 20 0 FGADHM COc1c(C)cc(S(=O)(=O)[N-]c2ccc3c(c2)CCCC(=O)N3)cc1C ZINC000171268334 495796545 /nfs/dbraw/zinc/79/65/45/495796545.db2.gz YQMMUXYGOROOEV-UHFFFAOYSA-N -1 3 374.462 3.388 20 0 FGADHM C[C@@H]1CN(CC2CCN(C(=O)c3ccc([O-])c(Cl)c3)CC2)C[C@H](C)O1 ZINC000171275798 495801428 /nfs/dbraw/zinc/80/14/28/495801428.db2.gz YUGHEQPJRBMRLC-OKILXGFUSA-N -1 3 366.889 3.007 20 0 FGADHM Cc1nn(-c2ccccc2)cc1C[N-]S(=O)(=O)c1ccc(C)cc1F ZINC000183039507 495809453 /nfs/dbraw/zinc/80/94/53/495809453.db2.gz ZWBSJRCDIORNNB-UHFFFAOYSA-N -1 3 359.426 3.107 20 0 FGADHM Cc1noc(C)c1S(=O)(=O)[N-]C[C@@H]1CCCO[C@@H]1c1ccc(C)cc1 ZINC000174080978 495812739 /nfs/dbraw/zinc/81/27/39/495812739.db2.gz UFJQUOXGBYHMJS-DLBZAZTESA-N -1 3 364.467 3.046 20 0 FGADHM Cc1sc(NC[C@H]2CCCN(C)[C@@H]2c2cccs2)nc1C(=O)[O-] ZINC000580650491 505805767 /nfs/dbraw/zinc/80/57/67/505805767.db2.gz SFFLNZGVGSTWKM-RISCZKNCSA-N -1 3 351.497 3.128 20 0 FGADHM CCCn1c2ccccc2n(CCC(=O)Nc2c(C)cccc2[O-])c1=O ZINC000183071604 495823223 /nfs/dbraw/zinc/82/32/23/495823223.db2.gz YWBMXTODNOAZFQ-UHFFFAOYSA-N -1 3 353.422 3.256 20 0 FGADHM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3cccc(C)c3F)cc2C[C@H]1C ZINC000180022984 495827147 /nfs/dbraw/zinc/82/71/47/495827147.db2.gz NOXXYFYINJWJPR-GFCCVEGCSA-N -1 3 362.426 3.232 20 0 FGADHM COC(=O)c1c(C)nc(=O)[n-]c1S[C@@H](C)Cc1ccc2ccccc2n1 ZINC000176935566 495848187 /nfs/dbraw/zinc/84/81/87/495848187.db2.gz XYDSLKAKSJNSQV-NSHDSACASA-N -1 3 369.446 3.136 20 0 FGADHM O=C(Nc1cc2c(cc1F)NC(=O)CC2)c1c[n-]nc1-c1ccccc1 ZINC000155137248 495849644 /nfs/dbraw/zinc/84/96/44/495849644.db2.gz PONBBOQNINHYGK-UHFFFAOYSA-N -1 3 350.353 3.353 20 0 FGADHM CN(C[C@@H](O)C(F)(F)F)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000186100309 495855997 /nfs/dbraw/zinc/85/59/97/495855997.db2.gz MFRDUHHNKWEEFK-OAHLLOKOSA-N -1 3 355.312 3.180 20 0 FGADHM CN(Cc1nc2ccsc2c(=O)[n-]1)C(=O)NCCCCC1CCCC1 ZINC000174204274 495862794 /nfs/dbraw/zinc/86/27/94/495862794.db2.gz VJVXVWGDEVUJRG-UHFFFAOYSA-N -1 3 362.499 3.487 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H]3CCO[C@@H](CC)C3)c2)n1 ZINC000183177157 495868904 /nfs/dbraw/zinc/86/89/04/495868904.db2.gz QXEWFCFXZWGUHB-PBHICJAKSA-N -1 3 355.438 3.143 20 0 FGADHM COCc1ccccc1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000151554248 495876023 /nfs/dbraw/zinc/87/60/23/495876023.db2.gz RORSEJGMVSFHJN-UHFFFAOYSA-N -1 3 350.212 3.231 20 0 FGADHM CN(C)CCN(Cc1cccs1)C(=O)c1cc(F)c(F)c([O-])c1F ZINC000180140889 495876967 /nfs/dbraw/zinc/87/69/67/495876967.db2.gz IWSLVDIGQZJDJD-UHFFFAOYSA-N -1 3 358.385 3.075 20 0 FGADHM CCCCC[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000186168989 495881028 /nfs/dbraw/zinc/88/10/28/495881028.db2.gz IQZLXRBIMVKEOD-CYBMUJFWSA-N -1 3 361.891 3.224 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@H](C)c2ccccc2)c1 ZINC000186172652 495883663 /nfs/dbraw/zinc/88/36/63/495883663.db2.gz VZKSUNURMWWLHD-GFCCVEGCSA-N -1 3 365.389 3.432 20 0 FGADHM C[C@@H](Cc1ccccc1Br)NC(=O)c1cccc2nn[n-]c21 ZINC000180161025 495886579 /nfs/dbraw/zinc/88/65/79/495886579.db2.gz XCQGCLUBZPRHGV-JTQLQIEISA-N -1 3 359.227 3.081 20 0 FGADHM C[C@@H](Cc1ccccc1Br)NC(=O)c1cccc2[n-]nnc21 ZINC000180161025 495886582 /nfs/dbraw/zinc/88/65/82/495886582.db2.gz XCQGCLUBZPRHGV-JTQLQIEISA-N -1 3 359.227 3.081 20 0 FGADHM C[C@@H](Cc1ccccc1Br)NC(=O)c1cccc2n[n-]nc21 ZINC000180161025 495886587 /nfs/dbraw/zinc/88/65/87/495886587.db2.gz XCQGCLUBZPRHGV-JTQLQIEISA-N -1 3 359.227 3.081 20 0 FGADHM O=C(COCCc1ccccc1)NCc1ccc([O-])c(Br)c1 ZINC000151591827 495887824 /nfs/dbraw/zinc/88/78/24/495887824.db2.gz MYCSYGHPCLOKKV-UHFFFAOYSA-N -1 3 364.239 3.030 20 0 FGADHM CCC(C)(C)[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000186187944 495889570 /nfs/dbraw/zinc/88/95/70/495889570.db2.gz VBTLVGGVWUAJBA-GFCCVEGCSA-N -1 3 361.891 3.222 20 0 FGADHM C[C@@H]1Oc2ccccc2[C@@H]1[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC000568927643 505810175 /nfs/dbraw/zinc/81/01/75/505810175.db2.gz LCKGZPWIHWHLKQ-ZUZCIYMTSA-N -1 3 373.352 3.386 20 0 FGADHM Cc1ccc(CNC(=O)C2CCN(Cc3cc([O-])cc(F)c3)CC2)cc1 ZINC000186200936 495894417 /nfs/dbraw/zinc/89/44/17/495894417.db2.gz SKUNLWSNZIPZNB-UHFFFAOYSA-N -1 3 356.441 3.368 20 0 FGADHM C[C@@H](Oc1cccc(F)c1)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000151638824 495902211 /nfs/dbraw/zinc/90/22/11/495902211.db2.gz HWYGFTVLMLSYAA-SNVBAGLBSA-N -1 3 368.202 3.378 20 0 FGADHM O=C(/C=C/c1cncc([O-])c1)N1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000186325946 495949475 /nfs/dbraw/zinc/94/94/75/495949475.db2.gz UAUIEWRXRBTAHP-NZURWCHMSA-N -1 3 362.788 3.193 20 0 FGADHM C[C@H]1CCN(C(=O)c2cnc(-c3cnn(C)c3)s2)c2c([O-])cccc21 ZINC000186329814 495950334 /nfs/dbraw/zinc/95/03/34/495950334.db2.gz ZKWUMTJJVKIEDZ-NSHDSACASA-N -1 3 354.435 3.403 20 0 FGADHM C[C@@H]1CCN(C(=O)c2ccc(CS(C)(=O)=O)cc2)c2c([O-])cccc21 ZINC000186334794 495953331 /nfs/dbraw/zinc/95/33/31/495953331.db2.gz FLEIDEKHEJDOSG-CYBMUJFWSA-N -1 3 359.447 3.091 20 0 FGADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2cc(F)cc3cccnc32)CC1 ZINC000177181039 495963463 /nfs/dbraw/zinc/96/34/63/495963463.db2.gz WVAAKMKGMIKUBZ-UHFFFAOYSA-N -1 3 365.408 3.038 20 0 FGADHM O=C(c1cc(F)cc2[n-]nnc21)N1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000574615110 505815436 /nfs/dbraw/zinc/81/54/36/505815436.db2.gz WQKAEULVYHYWII-MRXNPFEDSA-N -1 3 364.384 3.341 20 0 FGADHM O=C(c1cc(F)cc2nn[n-]c21)N1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000574615110 505815437 /nfs/dbraw/zinc/81/54/37/505815437.db2.gz WQKAEULVYHYWII-MRXNPFEDSA-N -1 3 364.384 3.341 20 0 FGADHM O=C(c1cc(F)cc2n[n-]nc21)N1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000574615110 505815441 /nfs/dbraw/zinc/81/54/41/505815441.db2.gz WQKAEULVYHYWII-MRXNPFEDSA-N -1 3 364.384 3.341 20 0 FGADHM CC(C)c1cc(C(=O)N2CCS(=O)(=O)C(C)(C)C2)c([O-])c(C(C)C)c1 ZINC000155498345 495975596 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Cc1ccccc1[C@@H]1CN(C(=O)c2cc(F)cc3nn[n-]c32)[C@H](C)CO1 ZINC000277337226 496740873 /nfs/dbraw/zinc/74/08/73/496740873.db2.gz DHRGWRXTUAJJSX-PXAZEXFGSA-N -1 3 354.385 3.008 20 0 FGADHM Cc1ccccc1[C@@H]1CN(C(=O)c2cc(F)cc3n[n-]nc32)[C@H](C)CO1 ZINC000277337226 496740877 /nfs/dbraw/zinc/74/08/77/496740877.db2.gz DHRGWRXTUAJJSX-PXAZEXFGSA-N -1 3 354.385 3.008 20 0 FGADHM CCCc1cccc(CN[C@@H](Cn2ccc(C(F)(F)F)n2)C(=O)[O-])c1 ZINC000277416226 496766429 /nfs/dbraw/zinc/76/64/29/496766429.db2.gz SRVUYGXQJSVWLY-AWEZNQCLSA-N -1 3 355.360 3.097 20 0 FGADHM COCCOC(=O)c1sc2[n-]c([C@@H]3CCCCS3)nc(=O)c2c1C ZINC000273388233 496791326 /nfs/dbraw/zinc/79/13/26/496791326.db2.gz ZIBQPHDEAWSKKA-JTQLQIEISA-N -1 3 368.480 3.467 20 0 FGADHM Cc1cc(F)ccc1-c1ccc(CN[C@@H](CN2CCCCC2)C(=O)[O-])o1 ZINC000277512574 496797842 /nfs/dbraw/zinc/79/78/42/496797842.db2.gz YHBFSFWDJCUJAV-SFHVURJKSA-N -1 3 360.429 3.423 20 0 FGADHM FC(F)(F)C[N-]c1nnc(Sc2ncncc2Br)s1 ZINC000268986780 496842746 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O=S(=O)([N-]Cc1ccc(Br)c(F)c1)c1cccs1 ZINC000195342913 496896532 /nfs/dbraw/zinc/89/65/32/496896532.db2.gz MHZMOOIVIBFCRT-UHFFFAOYSA-N -1 3 350.234 3.128 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)c1ccc2c(c1)CCCC2=O)c1nc(C)cs1 ZINC000580936437 505872279 /nfs/dbraw/zinc/87/22/79/505872279.db2.gz AMRLIAPZGUGURV-HNNXBMFYSA-N -1 3 364.492 3.400 20 0 FGADHM CCc1ccc(C(=O)N2CCC(C(=O)Nc3ccccc3O)CC2)c([O-])c1 ZINC000188766124 496902128 /nfs/dbraw/zinc/90/21/28/496902128.db2.gz QFDZKIQROYEGBW-UHFFFAOYSA-N -1 3 368.433 3.151 20 0 FGADHM CC(C)(C)C[C@H](CO)NC(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000188832353 496921642 /nfs/dbraw/zinc/92/16/42/496921642.db2.gz UZZHYLPSVPFTGQ-QGZVFWFLSA-N -1 3 355.434 3.150 20 0 FGADHM Cc1ccc(-c2cc(C(=O)Nc3ccn(CCc4ccncc4)n3)n[n-]2)o1 ZINC000195468002 496931663 /nfs/dbraw/zinc/93/16/63/496931663.db2.gz FXSYXOMMXDLUDR-UHFFFAOYSA-N -1 3 362.393 3.065 20 0 FGADHM Cc1ccc(-c2cc(C(=O)Nc3ccn(CCc4ccncc4)n3)[n-]n2)o1 ZINC000195468002 496931670 /nfs/dbraw/zinc/93/16/70/496931670.db2.gz 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/nfs/dbraw/zinc/96/48/01/496964801.db2.gz UMGLGLSNZPTFOM-UHFFFAOYSA-N -1 3 371.441 3.010 20 0 FGADHM CCOC(=O)c1nc(C2CCN(C(=O)Nc3cccc(C)c3C)CC2)n[n-]1 ZINC000277994386 496964805 /nfs/dbraw/zinc/96/48/05/496964805.db2.gz UMGLGLSNZPTFOM-UHFFFAOYSA-N -1 3 371.441 3.010 20 0 FGADHM CC(C)C[C@H](NC(=O)C(=O)[N-]c1cnns1)c1ccc(Cl)cc1 ZINC000192029916 496968379 /nfs/dbraw/zinc/96/83/79/496968379.db2.gz IEQSOBBQJZGHLH-LBPRGKRZSA-N -1 3 352.847 3.034 20 0 FGADHM COc1cc(C(=O)N2CCSC[C@@H]2c2ccccc2)cc(OC)c1[O-] ZINC000273957077 496971344 /nfs/dbraw/zinc/97/13/44/496971344.db2.gz OACJBIJTYLSDQU-OAHLLOKOSA-N -1 3 359.447 3.340 20 0 FGADHM O=C1C[C@@H](c2noc(-c3cc(Cl)c(Cl)[n-]3)n2)CN1CC1CCC1 ZINC000273962216 496974174 /nfs/dbraw/zinc/97/41/74/496974174.db2.gz OAMKQMPXXRUMQX-SECBINFHSA-N -1 3 355.225 3.488 20 0 FGADHM CCC1(CC)Oc2ccc(-n3c([O-])c(CC(F)(F)F)[nH]c3=O)cc2O1 ZINC000278065277 496991971 /nfs/dbraw/zinc/99/19/71/496991971.db2.gz JFUGHLQYEUYXTQ-JTQLQIEISA-N -1 3 358.316 3.351 20 0 FGADHM 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ZINC000274386940 497085064 /nfs/dbraw/zinc/08/50/64/497085064.db2.gz OJVZEIGAJQBXPR-YVEFUNNKSA-N -1 3 352.390 3.022 20 0 FGADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)c2ccc([S@@](C)=O)cc2)c(F)cc1F ZINC000270250544 497085764 /nfs/dbraw/zinc/08/57/64/497085764.db2.gz YFPVGWVDRPTWPY-BSNNYGBQSA-N -1 3 373.446 3.050 20 0 FGADHM COc1ccc(Br)cc1S(=O)(=O)[N-]C[C@H]1CC[C@H](C)C1 ZINC000230519028 497104765 /nfs/dbraw/zinc/10/47/65/497104765.db2.gz GXWXRRYLJDPUAG-QWRGUYRKSA-N -1 3 362.289 3.172 20 0 FGADHM COc1ccc([O-])c(C(=O)N2CCC(O)(c3ccccc3Cl)CC2)c1 ZINC000192567622 497151892 /nfs/dbraw/zinc/15/18/92/497151892.db2.gz QZUZKIBVMSDAGK-UHFFFAOYSA-N -1 3 361.825 3.178 20 0 FGADHM C[C@@H]1CCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])CC[S@@]1=O ZINC000572096454 505888125 /nfs/dbraw/zinc/88/81/25/505888125.db2.gz IGWFUQALYPTLGB-DXPJPUQTSA-N -1 3 371.502 3.161 20 0 FGADHM COCCCOc1ccccc1NC(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000270632519 497165851 /nfs/dbraw/zinc/16/58/51/497165851.db2.gz DBEJKSUWKLALDR-UHFFFAOYSA-N -1 3 361.394 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C[C@@]1(CNC(=O)c2c(F)ccc([O-])c2F)CCCN1Cc1ccccc1 ZINC000569275685 505893944 /nfs/dbraw/zinc/89/39/44/505893944.db2.gz FPZZYJRIBSCMKU-FQEVSTJZSA-N -1 3 360.404 3.455 20 0 FGADHM O=C(c1c[n-]c2ccccc2c1=O)N1CC2(CCOCC2)c2ccccc21 ZINC000189805749 497250426 /nfs/dbraw/zinc/25/04/26/497250426.db2.gz ZLXVANDZUAOVIU-UHFFFAOYSA-N -1 3 360.413 3.237 20 0 FGADHM O=C(c1cnc2ccccc2c1[O-])N1CC2(CCOCC2)c2ccccc21 ZINC000189805749 497250430 /nfs/dbraw/zinc/25/04/30/497250430.db2.gz ZLXVANDZUAOVIU-UHFFFAOYSA-N -1 3 360.413 3.237 20 0 FGADHM COc1cc(-c2noc(-c3ccc(O[C@H]4CCOC4)cc3)n2)ccc1[O-] ZINC000278881507 497253452 /nfs/dbraw/zinc/25/34/52/497253452.db2.gz WLOWHPDIRGSNHW-HNNXBMFYSA-N -1 3 354.362 3.286 20 0 FGADHM COC[C@@H](NC(=O)c1c[n-]c2ccccc2c1=O)c1ccc(Cl)cc1 ZINC000192951178 497256648 /nfs/dbraw/zinc/25/66/48/497256648.db2.gz XFKCQCAYYUPBQP-QGZVFWFLSA-N -1 3 356.809 3.299 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)[C@H]1CCOC1 ZINC000266199474 497278527 /nfs/dbraw/zinc/27/85/27/497278527.db2.gz ODVBLFDOEVFBDT-BDAKNGLRSA-N -1 3 357.781 3.062 20 0 FGADHM C[C@H](C(=O)[N-]C1=NCCS1)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000266213991 497281667 /nfs/dbraw/zinc/28/16/67/497281667.db2.gz GSTWUMWIGZXAGS-JSGCOSHPSA-N -1 3 363.483 3.108 20 0 FGADHM Cc1ccc(C(=O)N2CCOC[C@@H]2C[C@@H](O)c2cccs2)c([O-])c1C ZINC000271212499 497291612 /nfs/dbraw/zinc/29/16/12/497291612.db2.gz ADKNOOOWKOTLLQ-GOEBONIOSA-N -1 3 361.463 3.035 20 0 FGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@H]3CCO[C@H](C)C3)s2)cs1 ZINC000271254109 497303858 /nfs/dbraw/zinc/30/38/58/497303858.db2.gz LEUKSTMSHJVADM-KOLCDFICSA-N -1 3 358.510 3.026 20 0 FGADHM Cn1nc(-c2cccs2)nc1[N-]C(=O)c1csc([C@@H]2CCCO2)n1 ZINC000193203561 497323018 /nfs/dbraw/zinc/32/30/18/497323018.db2.gz ZDWYPKFGMMKOAV-JTQLQIEISA-N -1 3 361.452 3.104 20 0 FGADHM CCC[C@H]1[C@H](C)CCCN1C(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000266392329 497325594 /nfs/dbraw/zinc/32/55/94/497325594.db2.gz IIIBTANTILLWID-WBMJQRKESA-N -1 3 356.463 3.238 20 0 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/nfs/dbraw/zinc/37/25/39/497372539.db2.gz PRSUBKDZNUVGFW-LBPRGKRZSA-N -1 3 367.492 3.234 20 0 FGADHM CC(C)(C)OC(=O)[C@@H]1CCN(C(=O)c2cc([O-])ccc2C(F)(F)F)C1 ZINC000193455910 497384714 /nfs/dbraw/zinc/38/47/14/497384714.db2.gz MEIOYAJQKUBIBP-SNVBAGLBSA-N -1 3 359.344 3.215 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2C[C@H](C)C[C@H](C)C2)c1 ZINC000193462297 497386727 /nfs/dbraw/zinc/38/67/27/497386727.db2.gz NIIFRHRRDNMVDY-TXEJJXNPSA-N -1 3 357.410 3.059 20 0 FGADHM Oc1[n-]c(N2CCC(c3ccccc3Br)CC2)nc2nncc1-2 ZINC000275854756 497448216 /nfs/dbraw/zinc/44/82/16/497448216.db2.gz IJXUVKPPGRJIDX-UHFFFAOYSA-N -1 3 374.242 3.205 20 0 FGADHM CCc1cc(=O)[n-]c(CN[C@H](C)c2ccc(Br)cc2OC)n1 ZINC000190423983 497474017 /nfs/dbraw/zinc/47/40/17/497474017.db2.gz VHJWAIQKNKJGME-SNVBAGLBSA-N -1 3 366.259 3.367 20 0 FGADHM COC(=O)c1cc([N-]C(=O)c2cc(F)cc3nccnc32)c(F)cc1F ZINC000193789212 497482170 /nfs/dbraw/zinc/48/21/70/497482170.db2.gz HIDLOQCBRHFCKT-UHFFFAOYSA-N -1 3 361.279 3.086 20 0 FGADHM C[C@@H]1OCC[C@@]12CN(C(=O)c1cc(Cc3ccccc3)ccc1[O-])CCO2 ZINC000279625246 497489772 /nfs/dbraw/zinc/48/97/72/497489772.db2.gz CVLIAMZCSVPDEI-KSFYIVLOSA-N -1 3 367.445 3.003 20 0 FGADHM C[C@H]1COCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000572195443 505911347 /nfs/dbraw/zinc/91/13/47/505911347.db2.gz IBXLSFRMUISKLF-SWLSCSKDSA-N -1 3 373.902 3.222 20 0 FGADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000276157023 497511098 /nfs/dbraw/zinc/51/10/98/497511098.db2.gz FVMHPZRKZUZGTJ-BLLLJJGKSA-N -1 3 370.833 3.335 20 0 FGADHM O=C([N-]O[C@@H]1CCCCO1)Nc1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000276157023 497511101 /nfs/dbraw/zinc/51/11/01/497511101.db2.gz FVMHPZRKZUZGTJ-BLLLJJGKSA-N -1 3 370.833 3.335 20 0 FGADHM COc1ccc(Br)cc1CN1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000262244798 497528791 /nfs/dbraw/zinc/52/87/91/497528791.db2.gz YLJBOYNTHPZBIN-BLLLJJGKSA-N -1 3 354.244 3.144 20 0 FGADHM CC(C)OCCS(=O)(=O)[N-]c1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000267417637 497545915 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Cc1cc(=O)[n-]c([C@H](C)N2CC=C(c3ccc4c(c3)OCCO4)CC2)n1 ZINC000581124838 505914993 /nfs/dbraw/zinc/91/49/93/505914993.db2.gz YPZSXIYCPMSWEN-AWEZNQCLSA-N -1 3 353.422 3.112 20 0 FGADHM O=C(Nc1ncc(Cc2cccc(Cl)c2Cl)s1)c1cnn[n-]1 ZINC000194143478 497586403 /nfs/dbraw/zinc/58/64/03/497586403.db2.gz QXCWJVIGZQPBGD-UHFFFAOYSA-N -1 3 354.222 3.411 20 0 FGADHM O=C(Nc1ncc(Cc2cccc(Cl)c2Cl)s1)c1c[n-]nn1 ZINC000194143478 497586409 /nfs/dbraw/zinc/58/64/09/497586409.db2.gz QXCWJVIGZQPBGD-UHFFFAOYSA-N -1 3 354.222 3.411 20 0 FGADHM O=C(Nc1ncc(Cc2cccc(Cl)c2Cl)s1)c1cn[n-]n1 ZINC000194143478 497586413 /nfs/dbraw/zinc/58/64/13/497586413.db2.gz QXCWJVIGZQPBGD-UHFFFAOYSA-N -1 3 354.222 3.411 20 0 FGADHM CO[C@@H](C)c1nc(C[N-]S(=O)(=O)c2cc(Cl)ccc2C)cs1 ZINC000267616458 497589102 /nfs/dbraw/zinc/58/91/02/497589102.db2.gz JLNJGGBQYUCXCI-JTQLQIEISA-N -1 3 360.888 3.291 20 0 FGADHM COc1cc2c(cc1Cl)CN(C(=O)c1c[n-]c3ccccc3c1=O)CC2 ZINC000575087042 505917227 /nfs/dbraw/zinc/91/72/27/505917227.db2.gz 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CC(=O)[C@@H]1C[C@H](C(=O)Nc2nnc(-c3cc4ccccc4o3)[n-]2)C1(C)C ZINC000572575566 506001313 /nfs/dbraw/zinc/00/13/13/506001313.db2.gz AAGSEVCMDSFXDN-QWHCGFSZSA-N -1 3 352.394 3.408 20 0 FGADHM CC(=O)[C@@H]1C[C@H](C(=O)Nc2nc(-c3cc4ccccc4o3)n[n-]2)C1(C)C ZINC000572575566 506001316 /nfs/dbraw/zinc/00/13/16/506001316.db2.gz AAGSEVCMDSFXDN-QWHCGFSZSA-N -1 3 352.394 3.408 20 0 FGADHM CC(=O)[C@@H]1C[C@H](C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)C1(C)C ZINC000572575566 506001319 /nfs/dbraw/zinc/00/13/19/506001319.db2.gz AAGSEVCMDSFXDN-QWHCGFSZSA-N -1 3 352.394 3.408 20 0 FGADHM CCCCCc1nnc([N-]C(=O)c2c(C)coc2CC(=O)OC)s1 ZINC000289674912 498243926 /nfs/dbraw/zinc/24/39/26/498243926.db2.gz GDAJSAJITQNBIN-UHFFFAOYSA-N -1 3 351.428 3.140 20 0 FGADHM O=S(=O)([N-]Cc1ncoc1-c1ccccc1)c1cc(F)cc(F)c1 ZINC000360142701 498249018 /nfs/dbraw/zinc/24/90/18/498249018.db2.gz USFHVRNJYXABQT-UHFFFAOYSA-N -1 3 350.346 3.098 20 0 FGADHM C[C@@H](O)C[C@@H]1CCCCN1Cc1cc(=O)oc2cc([O-])c(Cl)cc12 ZINC000285962236 498253703 /nfs/dbraw/zinc/25/37/03/498253703.db2.gz DIQLVPIIXPELRN-YPMHNXCESA-N -1 3 351.830 3.277 20 0 FGADHM C[C@@H]1CCC[C@H](NC(=O)NC2CCN(C(=O)c3cccc([O-])c3)CC2)[C@H]1C ZINC000360305024 498263553 /nfs/dbraw/zinc/26/35/53/498263553.db2.gz BHXZFECYPYSJIC-VCBZYWHSSA-N -1 3 373.497 3.121 20 0 FGADHM C[C@@H]1CCC[C@@H](NC(=O)NC2CCN(C(=O)c3cccc([O-])c3)CC2)[C@H]1C ZINC000360305025 498264039 /nfs/dbraw/zinc/26/40/39/498264039.db2.gz BHXZFECYPYSJIC-ZRGWGRIASA-N -1 3 373.497 3.121 20 0 FGADHM CC(C)(C)c1nnc(C[N-]S(=O)(=O)CCc2cccc(Cl)c2)s1 ZINC000286030236 498271618 /nfs/dbraw/zinc/27/16/18/498271618.db2.gz PUOUOLVPGVPKTC-UHFFFAOYSA-N -1 3 373.931 3.151 20 0 FGADHM CN([C@H]1CCO[C@@H](c2ccc(F)cc2)C1)S(=O)(=O)c1ccc([O-])cc1 ZINC000581544611 506012291 /nfs/dbraw/zinc/01/22/91/506012291.db2.gz FBBIOTAISYIBBS-MAUKXSAKSA-N -1 3 365.426 3.072 20 0 FGADHM CC1=C(C)C[C@H](C(=O)Nc2cc(N3CCCS3(=O)=O)ccc2[O-])CC1 ZINC000578752536 506012629 /nfs/dbraw/zinc/01/26/29/506012629.db2.gz RWOMDTHPPSMFFN-CQSZACIVSA-N -1 3 364.467 3.007 20 0 FGADHM CCCN(CCN1CCCCC1)C(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000286151823 498307078 /nfs/dbraw/zinc/30/70/78/498307078.db2.gz IUIJFVCQTXPHSF-UHFFFAOYSA-N -1 3 362.518 3.126 20 0 FGADHM COCc1nsc([N-]C(=O)c2c(C)c(C)sc2Br)n1 ZINC000281896512 498309877 /nfs/dbraw/zinc/30/98/77/498309877.db2.gz QHNIHKNVHFYDPV-UHFFFAOYSA-N -1 3 362.274 3.378 20 0 FGADHM C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000293231840 498314285 /nfs/dbraw/zinc/31/42/85/498314285.db2.gz AXBLCWNSVFXDGW-JSGCOSHPSA-N -1 3 371.437 3.068 20 0 FGADHM COC(=O)c1ccc(C(=O)Nc2cc(NC(=O)C(C)(C)C)ccc2C)[n-]1 ZINC000293232155 498314880 /nfs/dbraw/zinc/31/48/80/498314880.db2.gz AVIDGXIGGHZRPQ-UHFFFAOYSA-N -1 3 357.410 3.347 20 0 FGADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000578760515 506014893 /nfs/dbraw/zinc/01/48/93/506014893.db2.gz LTAOOCWZJJUOIX-AJYBTWMASA-N -1 3 364.445 3.168 20 0 FGADHM COc1ccc([O-])c(C(=O)N2CCC[C@@H](n3cnc4ccccc43)C2)c1 ZINC000365137643 498318180 /nfs/dbraw/zinc/31/81/80/498318180.db2.gz ZRDHSIXTCYTUNJ-CQSZACIVSA-N -1 3 351.406 3.228 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H](C)C[C@H](O)c3ccco3)nc2)n1 ZINC000301913154 498324019 /nfs/dbraw/zinc/32/40/19/498324019.db2.gz UFXANGZYDTWSES-DOMZBBRYSA-N -1 3 354.410 3.324 20 0 FGADHM Cc1ccc([O-])c(C(=O)N2C[C@H]3CCC[C@@]3(c3nc(CC4CC4)no3)C2)c1 ZINC000365172898 498333263 /nfs/dbraw/zinc/33/32/63/498333263.db2.gz WTTAJXABXCDSFI-QVKFZJNVSA-N -1 3 367.449 3.230 20 0 FGADHM COc1cc(C)cc(C(=O)Nc2ccc(N(C(C)=O)C3CC3)cc2)c1[O-] ZINC000572633956 506017114 /nfs/dbraw/zinc/01/71/14/506017114.db2.gz DFKWNOLZKFADTH-UHFFFAOYSA-N -1 3 354.406 3.477 20 0 FGADHM C[C@H]1CCCC[C@H]1OCC(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000331473741 498342017 /nfs/dbraw/zinc/34/20/17/498342017.db2.gz IKYDXGXDBFTNOC-HNAYVOBHSA-N -1 3 374.481 3.165 20 0 FGADHM Cc1cccc(C)c1CS(=O)(=O)[N-]Cc1nnc(C(C)(C)C)s1 ZINC000293372529 498362176 /nfs/dbraw/zinc/36/21/76/498362176.db2.gz FVLYNKMDCNDTID-UHFFFAOYSA-N -1 3 353.513 3.072 20 0 FGADHM [O-]C(=NO[C@H]1CCCCO1)Nc1ccc(OCC(F)(F)F)c(F)c1 ZINC000282052450 498372181 /nfs/dbraw/zinc/37/21/81/498372181.db2.gz LSZURBXWVDPXTB-LBPRGKRZSA-N -1 3 352.284 3.347 20 0 FGADHM O=C([N-]O[C@H]1CCCCO1)Nc1ccc(OCC(F)(F)F)c(F)c1 ZINC000282052450 498372184 /nfs/dbraw/zinc/37/21/84/498372184.db2.gz LSZURBXWVDPXTB-LBPRGKRZSA-N -1 3 352.284 3.347 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N3CCOCC34CCCCC4)c[n-]c12 ZINC000575884273 506025969 /nfs/dbraw/zinc/02/59/69/506025969.db2.gz MUPSAUUKOUMVMT-UHFFFAOYSA-N -1 3 358.413 3.151 20 0 FGADHM CCc1cc2c(CN3CCC(n4cccn4)CC3)cc(=O)oc2cc1[O-] ZINC000361525382 498404432 /nfs/dbraw/zinc/40/44/32/498404432.db2.gz JPYVQMCFCDTAAI-UHFFFAOYSA-N -1 3 353.422 3.095 20 0 FGADHM CCCN(C(=O)c1ccccc1NC(=O)c1ccc(C(=O)OC)[n-]1)C(C)C ZINC000293577700 498417480 /nfs/dbraw/zinc/41/74/80/498417480.db2.gz CBQKZDARXDILHN-UHFFFAOYSA-N -1 3 371.437 3.314 20 0 FGADHM COc1cccc([C@@H](CNC(=O)c2cccc(C)c2[O-])N2CCCC2)c1 ZINC000302178178 498430302 /nfs/dbraw/zinc/43/03/02/498430302.db2.gz YIQKHFZBMFFIPG-LJQANCHMSA-N -1 3 354.450 3.276 20 0 FGADHM COC[C@H]1CCCN(C(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)CC1 ZINC000578838679 506033135 /nfs/dbraw/zinc/03/31/35/506033135.db2.gz ZJWOPLHPKHKIIK-HNNXBMFYSA-N -1 3 370.453 3.438 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(N3CC[C@@]4(C3)OCc3ccccc34)nc2)n1 ZINC000302227982 498452030 /nfs/dbraw/zinc/45/20/30/498452030.db2.gz AJCNJXGVWKYXCP-QFIPXVFZSA-N -1 3 374.444 3.442 20 0 FGADHM Cn1ncc(CN2C[C@@H](C3CCCCC3)C[C@H]2C(=O)[O-])c1C(F)(F)F ZINC000575936505 506037199 /nfs/dbraw/zinc/03/71/99/506037199.db2.gz WLIBOHSUMAZOFL-JSGCOSHPSA-N -1 3 359.392 3.294 20 0 FGADHM CC(C)(C)c1ccc(NC(=O)c2cncc(N3CCOCC3)c2)c([O-])c1 ZINC000331839098 498471310 /nfs/dbraw/zinc/47/13/10/498471310.db2.gz KNDOQKXVIMQXEO-UHFFFAOYSA-N -1 3 355.438 3.174 20 0 FGADHM O=S(=O)([N-]Cc1nnc(C2CC2)[nH]1)c1cc2cc(Cl)ccc2s1 ZINC000569900556 506042556 /nfs/dbraw/zinc/04/25/56/506042556.db2.gz IWZHMZRCLAJJBM-UHFFFAOYSA-N -1 3 368.871 3.029 20 0 FGADHM CC(C)(CC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1)c1ccccc1 ZINC000290279049 498492367 /nfs/dbraw/zinc/49/23/67/498492367.db2.gz DATBONNNIOKBIC-CQSZACIVSA-N -1 3 370.415 3.271 20 0 FGADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1ccc(-c2ccncc2)c(C)c1 ZINC000297559519 498492844 /nfs/dbraw/zinc/49/28/44/498492844.db2.gz ZTZRUPAHDOSLNH-UHFFFAOYSA-N -1 3 357.410 3.452 20 0 FGADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1ccc(-c2ccncc2)c(C)c1 ZINC000297559519 498492850 /nfs/dbraw/zinc/49/28/50/498492850.db2.gz ZTZRUPAHDOSLNH-UHFFFAOYSA-N -1 3 357.410 3.452 20 0 FGADHM O=C(c1cc([O-])ccc1Cl)N1CCOC[C@@H]1C[C@H](O)c1cccs1 ZINC000290314207 498505607 /nfs/dbraw/zinc/50/56/07/498505607.db2.gz GIVPIXJNKCNCHQ-NHYWBVRUSA-N -1 3 367.854 3.072 20 0 FGADHM O=C(c1cc([O-])ccc1Cl)N1CCOC[C@@H]1C[C@@H](O)c1cccs1 ZINC000290314210 498505754 /nfs/dbraw/zinc/50/57/54/498505754.db2.gz GIVPIXJNKCNCHQ-XHDPSFHLSA-N -1 3 367.854 3.072 20 0 FGADHM CN1C[C@H](C(=O)Nc2cc(C(F)(F)F)ccc2[O-])c2ccccc2C1=O ZINC000365514830 498506929 /nfs/dbraw/zinc/50/69/29/498506929.db2.gz QPMLSEBFDWJENZ-ZDUSSCGKSA-N -1 3 364.323 3.219 20 0 FGADHM O=C(c1cc(F)cc2[n-]nnc21)N1CCCCC[C@H]1C[C@H](O)c1ccco1 ZINC000282427471 498508274 /nfs/dbraw/zinc/50/82/74/498508274.db2.gz IXOUQCNMEVDSAZ-BBRMVZONSA-N -1 3 372.400 3.199 20 0 FGADHM O=C(c1cc(F)cc2nn[n-]c21)N1CCCCC[C@H]1C[C@H](O)c1ccco1 ZINC000282427471 498508285 /nfs/dbraw/zinc/50/82/85/498508285.db2.gz IXOUQCNMEVDSAZ-BBRMVZONSA-N -1 3 372.400 3.199 20 0 FGADHM O=C(c1cc(F)cc2n[n-]nc21)N1CCCCC[C@H]1C[C@H](O)c1ccco1 ZINC000282427471 498508290 /nfs/dbraw/zinc/50/82/90/498508290.db2.gz IXOUQCNMEVDSAZ-BBRMVZONSA-N -1 3 372.400 3.199 20 0 FGADHM C[C@H]1CCN(CC2=Cc3cc(Br)ccc3OC2)C[C@H]1C(=O)[O-] ZINC000572761863 506046537 /nfs/dbraw/zinc/04/65/37/506046537.db2.gz KABJUWLSMMASCH-XHDPSFHLSA-N -1 3 366.255 3.268 20 0 FGADHM O=C([N-]O[C@@H]1CCCCO1)C1CCN(Cc2ccc(Cl)s2)CC1 ZINC000365591179 498547944 /nfs/dbraw/zinc/54/79/44/498547944.db2.gz XSNBESIENXYKPI-OAHLLOKOSA-N -1 3 358.891 3.188 20 0 FGADHM Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1ccc(CN(C)C)cc1C ZINC000569939802 506052516 /nfs/dbraw/zinc/05/25/16/506052516.db2.gz RGQJDCOFNXAMED-UHFFFAOYSA-N -1 3 364.515 3.252 20 0 FGADHM CCn1c(CNCC[C@H](Cc2ccccc2)C(=O)[O-])nc2ccccc21 ZINC000578946031 506056854 /nfs/dbraw/zinc/05/68/54/506056854.db2.gz QFTRHVICGHNMHC-QGZVFWFLSA-N -1 3 351.450 3.479 20 0 FGADHM CC1CCC(CC(=O)Nc2cc(N3CCCS3(=O)=O)ccc2[O-])CC1 ZINC000332170847 498587048 /nfs/dbraw/zinc/58/70/48/498587048.db2.gz LOVDOWODKGHOCG-UHFFFAOYSA-N -1 3 366.483 3.087 20 0 FGADHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)c(C)c1 ZINC000362950872 498588142 /nfs/dbraw/zinc/58/81/42/498588142.db2.gz AAOJYSKFUFLCLJ-UHFFFAOYSA-N -1 3 374.462 3.104 20 0 FGADHM CC[C@](C)(OC)c1noc([C@@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000290555699 498595661 /nfs/dbraw/zinc/59/56/61/498595661.db2.gz TTWXXKZKRJSYRQ-BMIGLBTASA-N -1 3 373.862 3.034 20 0 FGADHM Cc1c(NC(=O)c2cc([O-])c3ccccc3c2)cccc1N1CN=NC1=O ZINC000365705008 498605850 /nfs/dbraw/zinc/60/58/50/498605850.db2.gz SKGHEASFUPNHEV-UHFFFAOYSA-N -1 3 360.373 3.392 20 0 FGADHM COC(=O)C(C)(C)c1csc([N-]C(=O)c2cc(-c3ccco3)on2)n1 ZINC000294177172 498611684 /nfs/dbraw/zinc/61/16/84/498611684.db2.gz WATJOEIVKOXKDX-UHFFFAOYSA-N -1 3 361.379 3.094 20 0 FGADHM Cc1ccc(C(=O)N2CC[C@@](CO)(Cc3ccc(F)cc3)C2)c([O-])c1C ZINC000290596149 498613058 /nfs/dbraw/zinc/61/30/58/498613058.db2.gz KKPQUQZINWEDSV-OAQYLSRUSA-N -1 3 357.425 3.215 20 0 FGADHM Cc1cccc(C(=O)NCc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)c1[O-] ZINC000302927826 498629231 /nfs/dbraw/zinc/62/92/31/498629231.db2.gz CQJARSSVWKAFQR-CALCHBBNSA-N -1 3 368.477 3.240 20 0 FGADHM C[C@H](c1ccc(Br)cc1)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000332299092 498640352 /nfs/dbraw/zinc/64/03/52/498640352.db2.gz KKSVDPNMADJDHR-PWSUYJOCSA-N -1 3 352.232 3.478 20 0 FGADHM Cc1cc(C(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)sc1C ZINC000332362584 498663794 /nfs/dbraw/zinc/66/37/94/498663794.db2.gz XWAMPCUPFUFOAE-UHFFFAOYSA-N -1 3 358.463 3.105 20 0 FGADHM C[C@@H]1Cc2ncn(Cc3nc4c(cnn4-c4ccccc4)c(=O)[n-]3)c2C[C@H]1C ZINC000298111109 498667639 /nfs/dbraw/zinc/66/76/39/498667639.db2.gz JNVAHNAQGZJKIZ-ZIAGYGMSSA-N -1 3 374.448 3.137 20 0 FGADHM COc1cc(C(=O)N2C[C@@H]3CCCCN3c3ccccc32)cc(OC)c1[O-] ZINC000294384252 498677344 /nfs/dbraw/zinc/67/73/44/498677344.db2.gz SEXDDCPYXNGJGR-HNNXBMFYSA-N -1 3 368.433 3.429 20 0 FGADHM C[C@@H](CCO)C1(C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CCC1 ZINC000332431753 498686606 /nfs/dbraw/zinc/68/66/06/498686606.db2.gz AYGKPBQCOZEOHS-NSHDSACASA-N -1 3 366.310 3.461 20 0 FGADHM O=C([N-]c1ccccc1SC(F)(F)F)c1cn(C2CCOCC2)nn1 ZINC000290813785 498687172 /nfs/dbraw/zinc/68/71/72/498687172.db2.gz WBTOULCAINWCJL-UHFFFAOYSA-N -1 3 372.372 3.494 20 0 FGADHM CCOc1cc(CN2C[C@@]3(CCOC3)OC(C)(C)C2)cc(Cl)c1[O-] ZINC000298197150 498692209 /nfs/dbraw/zinc/69/22/09/498692209.db2.gz XOQNAWSJBGAQRA-GOSISDBHSA-N -1 3 355.862 3.214 20 0 FGADHM O=C(Nc1ccc(F)cc1OC1CCOCC1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000579022978 506076323 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/nfs/dbraw/zinc/77/50/81/498775081.db2.gz LISSFVRFWIJOMI-UHFFFAOYSA-N -1 3 367.409 3.432 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N(C2CCC2)C2CCC2)c1 ZINC000294693504 498775346 /nfs/dbraw/zinc/77/53/46/498775346.db2.gz QLRUGOMDPFJZFL-UHFFFAOYSA-N -1 3 369.421 3.488 20 0 FGADHM CN1CCC(Oc2ccc(CNCc3c(F)ccc([O-])c3F)cc2)CC1 ZINC000294726960 498784795 /nfs/dbraw/zinc/78/47/95/498784795.db2.gz PUIMDIFLCWKIHW-UHFFFAOYSA-N -1 3 362.420 3.433 20 0 FGADHM Cc1cc(Br)cc(C(=O)Nc2cccc(-c3nnn[n-]3)c2)c1 ZINC000317556689 498793727 /nfs/dbraw/zinc/79/37/27/498793727.db2.gz ZABJZXRSNWFPHN-UHFFFAOYSA-N -1 3 358.199 3.190 20 0 FGADHM Cc1cc(Br)cc(C(=O)Nc2cccc(-c3nn[n-]n3)c2)c1 ZINC000317556689 498793732 /nfs/dbraw/zinc/79/37/32/498793732.db2.gz ZABJZXRSNWFPHN-UHFFFAOYSA-N -1 3 358.199 3.190 20 0 FGADHM COc1ccc(Br)c(CNCCc2ccccc2C(=O)[O-])c1 ZINC000317856491 498793924 /nfs/dbraw/zinc/79/39/24/498793924.db2.gz OHPDMNYNYVGNRR-UHFFFAOYSA-N -1 3 364.239 3.488 20 0 FGADHM O=C([N-]c1ncc(-c2cccnc2)s1)c1cc(CN2CCCC2)on1 ZINC000291105977 498797776 /nfs/dbraw/zinc/79/77/76/498797776.db2.gz DAABMOZGTKFHEC-UHFFFAOYSA-N -1 3 355.423 3.041 20 0 FGADHM C[C@H](c1ccncc1)N1CCC(NC(=O)c2cc([O-])ccc2Cl)CC1 ZINC000291119282 498803374 /nfs/dbraw/zinc/80/33/74/498803374.db2.gz UHQOOPFHSOOQRT-CYBMUJFWSA-N -1 3 359.857 3.396 20 0 FGADHM C[C@@H]1CC[C@H](NC(=O)NC2CCN(C(=O)c3cccc([O-])c3)CC2)[C@H](C)C1 ZINC000363407159 498805033 /nfs/dbraw/zinc/80/50/33/498805033.db2.gz SSXGOOGYFANCDH-CLCXKQKWSA-N -1 3 373.497 3.121 20 0 FGADHM COC(=O)Cc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2Cl)cc1 ZINC000320444845 498807511 /nfs/dbraw/zinc/80/75/11/498807511.db2.gz LPCIACWMAVTVJY-UHFFFAOYSA-N -1 3 353.827 3.165 20 0 FGADHM O=C(N=c1[nH][n-]cc1Br)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000581930180 506093354 /nfs/dbraw/zinc/09/33/54/506093354.db2.gz OUPHFYUOSIGIPY-DTWKUNHWSA-N -1 3 374.160 3.355 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-][C@H](c1ccccc1)c1ccccn1 ZINC000366182610 498811563 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FGADHM C[C@@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000579129905 506100897 /nfs/dbraw/zinc/10/08/97/506100897.db2.gz UDZHNGKZAKTFOK-BZNIZROVSA-N -1 3 373.840 3.315 20 0 FGADHM Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000283443238 498888086 /nfs/dbraw/zinc/88/80/86/498888086.db2.gz TZXVLJWFYZNPIA-SJORKVTESA-N -1 3 363.461 3.465 20 0 FGADHM O=c1cc(CSc2nnc(C3CC3)n2Cc2ccccc2)occ1[O-] ZINC000298842808 498894060 /nfs/dbraw/zinc/89/40/60/498894060.db2.gz HYAQFGGOEYHFKQ-UHFFFAOYSA-N -1 3 355.419 3.155 20 0 FGADHM CC1(C)COC[C@H]1NCc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[n-]1 ZINC000570179154 506108858 /nfs/dbraw/zinc/10/88/58/506108858.db2.gz JCNJPQCWUBZJBQ-OAHLLOKOSA-N -1 3 373.453 3.305 20 0 FGADHM Cc1c(-c2cc(CN(CCCC(=O)[O-])Cc3ccccc3)on2)cnn1C ZINC000576233905 506109487 /nfs/dbraw/zinc/10/94/87/506109487.db2.gz NOTQGLCRVCHWLU-UHFFFAOYSA-N -1 3 368.437 3.251 20 0 FGADHM CCOC[C@H]1CCN(Cc2cc(Br)c([O-])c(OCC)c2)C1 ZINC000291441968 498941590 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Cc1ccc(Sc2nsc([N-]C(=O)c3cnn4c3OCCC4)n2)cc1 ZINC000582043480 506120002 /nfs/dbraw/zinc/12/00/02/506120002.db2.gz KEGPBYXTZKCGDH-UHFFFAOYSA-N -1 3 373.463 3.229 20 0 FGADHM CCc1cc(C(=O)N2CCCN(C(=O)c3cccc(F)c3)CC2)ccc1[O-] ZINC000291510346 498970569 /nfs/dbraw/zinc/97/05/69/498970569.db2.gz QGAXSNCGEVMWIE-UHFFFAOYSA-N -1 3 370.424 3.082 20 0 FGADHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3=O)c(Cl)n1 ZINC000295306159 498972684 /nfs/dbraw/zinc/97/26/84/498972684.db2.gz MSJFMBWOKAJGHP-UHFFFAOYSA-N -1 3 366.826 3.063 20 0 FGADHM CCc1cc(C(=O)N[C@H](CCSC)c2nnc3ccccn32)ccc1[O-] ZINC000291517171 498974290 /nfs/dbraw/zinc/97/42/90/498974290.db2.gz YMYGZQMFZPMTOM-OAHLLOKOSA-N -1 3 370.478 3.222 20 0 FGADHM CN(C(=O)c1cc2c(cc1[O-])CCCC2)[C@H]1CCO[C@@H]1c1cccnc1 ZINC000333330985 498982275 /nfs/dbraw/zinc/98/22/75/498982275.db2.gz YSQGWMWKWATDRJ-AZUAARDMSA-N -1 3 352.434 3.268 20 0 FGADHM C[C@@H](Oc1cccc2ccccc21)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000573116337 506122773 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O=C(NCc1ccc([O-])c(F)c1)[C@H]1CCn2c(cnc2-c2ccccc2)C1 ZINC000370049233 499171636 /nfs/dbraw/zinc/17/16/36/499171636.db2.gz HENGVXNRRXHLPW-INIZCTEOSA-N -1 3 365.408 3.274 20 0 FGADHM Cc1c([O-])ccc2c(CN[C@H]3c4ccccc4CC[C@@H]3CO)cc(=O)oc12 ZINC000372828639 499181530 /nfs/dbraw/zinc/18/15/30/499181530.db2.gz CBDRBINUOQLQBX-QVKFZJNVSA-N -1 3 365.429 3.193 20 0 FGADHM CCn1ncc(C(=O)N=c2cc(-c3ccncc3)[n-][nH]2)c1-c1ccccc1 ZINC000372857880 499185534 /nfs/dbraw/zinc/18/55/34/499185534.db2.gz GYCYTMFCPRKXAN-UHFFFAOYSA-N -1 3 358.405 3.029 20 0 FGADHM CN(C(=O)c1ccc(O)cc1[O-])[C@@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000370189269 499195582 /nfs/dbraw/zinc/19/55/82/499195582.db2.gz PLGNQVYWCAWYTN-SFHVURJKSA-N -1 3 369.808 3.403 20 0 FGADHM Cc1cc(-n2c([O-])c(CC(F)(F)F)[nH]c2=O)nn1-c1cccc(Cl)c1 ZINC000367665521 499222861 /nfs/dbraw/zinc/22/28/61/499222861.db2.gz MHZGFTUAUIBEIA-LLVKDONJSA-N -1 3 372.734 3.211 20 0 FGADHM C[C@@H]1C[C@H](c2ccccc2)CCN1C(=O)c1cnc2c(cnn2C)c1[O-] ZINC000370698791 499245327 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Cc1cn(-c2ncccc2F)nc1NC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000371271446 499304412 /nfs/dbraw/zinc/30/44/12/499304412.db2.gz QVPBJQODMFZPBX-UHFFFAOYSA-N -1 3 354.172 3.024 20 0 FGADHM COCCOc1cccc(-c2noc(-c3n[n-]nc3-c3ccccc3)n2)c1 ZINC000570316894 506140461 /nfs/dbraw/zinc/14/04/61/506140461.db2.gz YPDJNPWWPNUMFS-UHFFFAOYSA-N -1 3 363.377 3.214 20 0 FGADHM CCCN(CC(C)C)C(=O)NC1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000368816570 499335670 /nfs/dbraw/zinc/33/56/70/499335670.db2.gz CCVZQKQUEGMWAR-UHFFFAOYSA-N -1 3 361.486 3.074 20 0 FGADHM COc1cccc(C2=CCN(C(=O)c3cc(=O)c4ccccc4[n-]3)CC2)c1 ZINC000368823446 499336801 /nfs/dbraw/zinc/33/68/01/499336801.db2.gz LOFAEGOQDUGPGS-UHFFFAOYSA-N -1 3 360.413 3.466 20 0 FGADHM CCOC(=O)c1c[n-]n(C2CCN([C@H](C)c3cccc(F)c3)CC2)c1=N ZINC000371732416 499359947 /nfs/dbraw/zinc/35/99/47/499359947.db2.gz MJZVPVLYSVOPSD-CYBMUJFWSA-N -1 3 360.433 3.010 20 0 FGADHM COc1ccc([O-])c(C(=O)N(C)[C@@H](c2ccc(F)cc2)c2ncccn2)c1 ZINC000369126589 499368217 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CC(C)c1ccc(S(=O)(=O)[N-]c2ccn(C3CCN(C)CC3)n2)cc1 ZINC000373201060 499457091 /nfs/dbraw/zinc/45/70/91/499457091.db2.gz BSOUACJJLBWOCZ-UHFFFAOYSA-N -1 3 362.499 3.074 20 0 FGADHM Cc1ccccc1-c1nc(C(=O)[N-]c2ncn(-c3cccnc3)n2)cs1 ZINC000373246542 499459715 /nfs/dbraw/zinc/45/97/15/499459715.db2.gz VXHHUNFLHRHKGT-UHFFFAOYSA-N -1 3 362.418 3.347 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)c1-c1ccncc1 ZINC000373417919 499468706 /nfs/dbraw/zinc/46/87/06/499468706.db2.gz OHDIJUVABCDHDL-LSDHHAIUSA-N -1 3 354.360 3.222 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)c2cccc(OC(F)(F)F)c2)c1-c1ccncc1 ZINC000373425689 499469018 /nfs/dbraw/zinc/46/90/18/499469018.db2.gz IQOYQGMRXLKHMY-UHFFFAOYSA-N -1 3 362.311 3.353 20 0 FGADHM O=C([O-])[C@H]1CCN(CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000378212340 499490703 /nfs/dbraw/zinc/49/07/03/499490703.db2.gz USLGIRFLAAYAGB-SWLSCSKDSA-N -1 3 371.264 3.063 20 0 FGADHM CN1CC[C@@H](CNC(=O)c2cc(F)c(F)c([O-])c2F)[C@H]1c1cccs1 ZINC000375246901 499498957 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O=C([N-]c1nncn1-c1cccnc1)c1occc1COc1ccccc1 ZINC000377167320 499667633 /nfs/dbraw/zinc/66/76/33/499667633.db2.gz DTPLLTZSAGOKDL-UHFFFAOYSA-N -1 3 361.361 3.087 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)c2cc(C3CC3)n(C(C)(C)C)n2)c1-c1ccncc1 ZINC000377195759 499669883 /nfs/dbraw/zinc/66/98/83/499669883.db2.gz FXKRNSMMXGZTIP-UHFFFAOYSA-N -1 3 364.453 3.283 20 0 FGADHM COCC(C)(C)NCc1nc(=O)c2sc(-c3ccc(OC)cc3)cc2[n-]1 ZINC000411229399 499714274 /nfs/dbraw/zinc/71/42/74/499714274.db2.gz OCYOSIDODJRKBK-UHFFFAOYSA-N -1 3 373.478 3.175 20 0 FGADHM Cc1nnc([C@@H](NC(=O)c2cc([O-])ccc2Cl)c2ccccc2)n1C ZINC000377751670 499728535 /nfs/dbraw/zinc/72/85/35/499728535.db2.gz XEZJTPOEGCACCC-INIZCTEOSA-N -1 3 356.813 3.002 20 0 FGADHM CCN(Cc1cccc(NC(=O)c2ccc(C(C)=O)c([O-])c2)c1)C(C)=O ZINC000411382917 499731959 /nfs/dbraw/zinc/73/19/59/499731959.db2.gz KSQOSRBLGOJUJV-UHFFFAOYSA-N -1 3 354.406 3.216 20 0 FGADHM CN(Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1)C[C@H](O)C(F)(F)F ZINC000411438586 499740310 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/nfs/dbraw/zinc/64/39/56/500643956.db2.gz MQJIKCNESUDGRQ-UHFFFAOYSA-N -1 3 369.368 3.103 20 0 FGADHM C[C@H](CCc1ccccc1)[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000442905830 500645247 /nfs/dbraw/zinc/64/52/47/500645247.db2.gz TZWKPXBOADBSJM-GFCCVEGCSA-N -1 3 358.385 3.400 20 0 FGADHM CC(C)Oc1cc(NC(=O)c2cn[n-]c2-c2ccsc2)ccc1C(N)=O ZINC000447688266 500646129 /nfs/dbraw/zinc/64/61/29/500646129.db2.gz LGGIGCPDPJKELK-UHFFFAOYSA-N -1 3 370.434 3.277 20 0 FGADHM CC(C)Oc1cc(NC(=O)c2c[n-]nc2-c2ccsc2)ccc1C(N)=O ZINC000447688266 500646133 /nfs/dbraw/zinc/64/61/33/500646133.db2.gz LGGIGCPDPJKELK-UHFFFAOYSA-N -1 3 370.434 3.277 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1cnccc1C(F)(F)F)c1c(F)cccc1F ZINC000442917501 500646416 /nfs/dbraw/zinc/64/64/16/500646416.db2.gz HDHSZTFAHJOKFN-QMMMGPOBSA-N -1 3 366.311 3.418 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)CC(C)(C)C)c1noc(-c2ccc(Cl)cc2)n1 ZINC000443007510 500662387 /nfs/dbraw/zinc/66/23/87/500662387.db2.gz OZGIDCRIPSRYOP-SNVBAGLBSA-N -1 3 357.863 3.417 20 0 FGADHM 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O=C(Cc1ccc([O-])c(F)c1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000448609798 500784727 /nfs/dbraw/zinc/78/47/27/500784727.db2.gz BZJRCNJIFXEPKS-MRXNPFEDSA-N -1 3 357.381 3.209 20 0 FGADHM C[C@H](C[C@@H]1CCCO1)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC000444069160 500799311 /nfs/dbraw/zinc/79/93/11/500799311.db2.gz DUDXHLKLYKIGSX-KOLCDFICSA-N -1 3 355.353 3.080 20 0 FGADHM CSc1nnc(NC(=O)Cc2cc(Cl)ccc2Br)[n-]1 ZINC000434188549 500808279 /nfs/dbraw/zinc/80/82/79/500808279.db2.gz XOJOJVLVSUTNGZ-UHFFFAOYSA-N -1 3 361.652 3.124 20 0 FGADHM CSc1n[n-]c(NC(=O)Cc2cc(Cl)ccc2Br)n1 ZINC000434188549 500808280 /nfs/dbraw/zinc/80/82/80/500808280.db2.gz XOJOJVLVSUTNGZ-UHFFFAOYSA-N -1 3 361.652 3.124 20 0 FGADHM CSc1nc(NC(=O)Cc2cc(Cl)ccc2Br)n[n-]1 ZINC000434188549 500808283 /nfs/dbraw/zinc/80/82/83/500808283.db2.gz XOJOJVLVSUTNGZ-UHFFFAOYSA-N -1 3 361.652 3.124 20 0 FGADHM CCCN(C(=O)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O)C1CC1 ZINC000444167187 500812391 /nfs/dbraw/zinc/81/23/91/500812391.db2.gz DGXZTJNTCQLJMI-UHFFFAOYSA-N -1 3 354.328 3.441 20 0 FGADHM Cc1cc(Br)cc(S(=O)(=O)[N-]C[C@@H](C)C(F)(F)F)c1 ZINC000444203907 500817265 /nfs/dbraw/zinc/81/72/65/500817265.db2.gz HRTFZGYLFXFGFW-MRVPVSSYSA-N -1 3 360.195 3.234 20 0 FGADHM COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CC[C@@H](C)C1 ZINC000444223415 500819651 /nfs/dbraw/zinc/81/96/51/500819651.db2.gz NAJGUDUYJARKQU-OCCSQVGLSA-N -1 3 361.891 3.222 20 0 FGADHM C[C@@H]1CN(c2ccccc2NC(=O)Cc2ccc([O-])c(F)c2)C[C@H](C)O1 ZINC000448742919 500820700 /nfs/dbraw/zinc/82/07/00/500820700.db2.gz AMGCQBSWMXFSLX-OKILXGFUSA-N -1 3 358.413 3.326 20 0 FGADHM COc1ccc(CC(=O)N=c2cc(-c3cc(F)cc(F)c3)[n-][nH]2)c(F)c1 ZINC000444231632 500820779 /nfs/dbraw/zinc/82/07/79/500820779.db2.gz HJVOGESIXOUFLX-UHFFFAOYSA-N -1 3 361.323 3.106 20 0 FGADHM CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)Cc1ccc([O-])c(F)c1 ZINC000448761262 500826317 /nfs/dbraw/zinc/82/63/17/500826317.db2.gz PBRRBVFXLXTDBT-UHFFFAOYSA-N -1 3 369.396 3.160 20 0 FGADHM CCOC(=O)c1cnc(C)c(NC(=O)c2cn[n-]c2-c2ccsc2)c1 ZINC000444297695 500831092 /nfs/dbraw/zinc/83/10/92/500831092.db2.gz KBGSHRXXDGTRSN-UHFFFAOYSA-N -1 3 356.407 3.271 20 0 FGADHM CCOC(=O)c1cnc(C)c(NC(=O)c2c[n-]nc2-c2ccsc2)c1 ZINC000444297695 500831093 /nfs/dbraw/zinc/83/10/93/500831093.db2.gz KBGSHRXXDGTRSN-UHFFFAOYSA-N -1 3 356.407 3.271 20 0 FGADHM CCc1nc(-c2ccc(Cl)cc2)[nH]c1C(=O)Nc1c(C)[nH]c(=O)[n-]c1=O ZINC000444297585 500831101 /nfs/dbraw/zinc/83/11/01/500831101.db2.gz UGESSSQGPLRTJL-UHFFFAOYSA-N -1 3 373.800 3.054 20 0 FGADHM Cc1ccc([C@@]2(C)CCN(C(=O)NCc3nnc(C(F)(F)F)[n-]3)C2)cc1 ZINC000434361170 500832298 /nfs/dbraw/zinc/83/22/98/500832298.db2.gz GKBCWAYVFCQIMM-INIZCTEOSA-N -1 3 367.375 3.005 20 0 FGADHM Cc1ccc([C@@]2(C)CCN(C(=O)NCc3n[n-]c(C(F)(F)F)n3)C2)cc1 ZINC000434361170 500832302 /nfs/dbraw/zinc/83/23/02/500832302.db2.gz GKBCWAYVFCQIMM-INIZCTEOSA-N -1 3 367.375 3.005 20 0 FGADHM Cc1ccc([C@@]2(C)CCN(C(=O)NCc3nc(C(F)(F)F)n[n-]3)C2)cc1 ZINC000434361170 500832305 /nfs/dbraw/zinc/83/23/05/500832305.db2.gz GKBCWAYVFCQIMM-INIZCTEOSA-N -1 3 367.375 3.005 20 0 FGADHM COCCCOc1cccc(C(=O)N=c2cc(-c3ccccc3)[n-][nH]2)c1 ZINC000439029434 500849013 /nfs/dbraw/zinc/84/90/13/500849013.db2.gz VUZOUQRBBXNMAT-UHFFFAOYSA-N -1 3 351.406 3.166 20 0 FGADHM COc1cccc(C(=O)N[C@@H](C)c2ccc(-n3cccn3)c(F)c2)c1[O-] ZINC000439060773 500852045 /nfs/dbraw/zinc/85/20/45/500852045.db2.gz QEMCQTBENJWLAE-LBPRGKRZSA-N -1 3 355.369 3.217 20 0 FGADHM Cc1n[nH]cc1-c1nnc([N-]C(=O)c2sc(CC(C)C)nc2C)s1 ZINC000444477293 500852537 /nfs/dbraw/zinc/85/25/37/500852537.db2.gz LYSHPXKQKVQXTH-UHFFFAOYSA-N -1 3 362.484 3.452 20 0 FGADHM CC[C@@H]1C[C@H]1C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000448918085 500868768 /nfs/dbraw/zinc/86/87/68/500868768.db2.gz PBQNEQZWAUHFLP-PSASIEDQSA-N -1 3 350.362 3.062 20 0 FGADHM O=C([N-]c1cc(-c2ccccc2)on1)c1cn(-c2cccc(Cl)c2)nn1 ZINC000444749920 500892806 /nfs/dbraw/zinc/89/28/06/500892806.db2.gz ZFSUTENKQJDCDD-UHFFFAOYSA-N -1 3 365.780 3.250 20 0 FGADHM O=C(Nc1nnc(-c2c(F)cccc2F)[n-]1)[C@@H]1CCCc2cccnc21 ZINC000444776830 500897528 /nfs/dbraw/zinc/89/75/28/500897528.db2.gz CSGLGGBWNCXLSD-LLVKDONJSA-N -1 3 355.348 3.204 20 0 FGADHM O=C(Nc1nc(-c2c(F)cccc2F)n[n-]1)[C@@H]1CCCc2cccnc21 ZINC000444776830 500897530 /nfs/dbraw/zinc/89/75/30/500897530.db2.gz CSGLGGBWNCXLSD-LLVKDONJSA-N -1 3 355.348 3.204 20 0 FGADHM O=C(Nc1n[n-]c(-c2c(F)cccc2F)n1)[C@@H]1CCCc2cccnc21 ZINC000444776830 500897532 /nfs/dbraw/zinc/89/75/32/500897532.db2.gz CSGLGGBWNCXLSD-LLVKDONJSA-N -1 3 355.348 3.204 20 0 FGADHM CC[C@@H](C)[C@](C)(O)CNC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000439502046 500906924 /nfs/dbraw/zinc/90/69/24/500906924.db2.gz FQXMMEFFYYNDIF-QVKFZJNVSA-N -1 3 357.450 3.498 20 0 FGADHM CCOC(=O)CN(Cc1nc2c3ccccc3oc2c(=O)[n-]1)C1CCCC1 ZINC000434999926 500920914 /nfs/dbraw/zinc/92/09/14/500920914.db2.gz KVTKNHDUABCGJW-UHFFFAOYSA-N -1 3 369.421 3.389 20 0 FGADHM COc1ccc(CN2C[C@H](O)Cc3ccccc32)c(Br)c1[O-] ZINC000435043276 500926362 /nfs/dbraw/zinc/92/63/62/500926362.db2.gz AHDRRHCJOOBISM-CYBMUJFWSA-N -1 3 364.239 3.087 20 0 FGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)[C@H](C)c2ccccc2)cc1F ZINC000445034017 500935592 /nfs/dbraw/zinc/93/55/92/500935592.db2.gz NLFPOEDIUSHQLW-QWHCGFSZSA-N -1 3 365.426 3.083 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)c3cncc(C(F)(F)F)c3)[n-]c21 ZINC000582443521 506225266 /nfs/dbraw/zinc/22/52/66/506225266.db2.gz SQYGOQICSJVWAG-UHFFFAOYSA-N -1 3 364.283 3.016 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cncc(C(F)(F)F)c3)nc21 ZINC000582443521 506225270 /nfs/dbraw/zinc/22/52/70/506225270.db2.gz SQYGOQICSJVWAG-UHFFFAOYSA-N -1 3 364.283 3.016 20 0 FGADHM O=S(=O)([N-]CCNCc1cc(Cl)sc1Cl)c1cccs1 ZINC000449209639 500948850 /nfs/dbraw/zinc/94/88/50/500948850.db2.gz PMBWUJCCHYFAAY-UHFFFAOYSA-N -1 3 371.336 3.185 20 0 FGADHM O=C(Cc1noc(-c2cc3ccccc3cc2[O-])n1)NCCc1ccccc1 ZINC000445310408 500971765 /nfs/dbraw/zinc/97/17/65/500971765.db2.gz LMPLQKFHJITEDN-UHFFFAOYSA-N -1 3 373.412 3.497 20 0 FGADHM Cc1ccc(C(=O)NCCc2nc(-c3ccc(C)cc3F)no2)c([O-])c1 ZINC000445385818 500979981 /nfs/dbraw/zinc/97/99/81/500979981.db2.gz QWNSIKAHHXFRPE-UHFFFAOYSA-N -1 3 355.369 3.171 20 0 FGADHM CCOc1cc(-c2noc(-c3ccc(N4CCNC4=O)cc3)n2)ccc1[O-] ZINC000445427578 500984185 /nfs/dbraw/zinc/98/41/85/500984185.db2.gz QHEFNHLJMFVXNO-UHFFFAOYSA-N -1 3 366.377 3.038 20 0 FGADHM CCOc1cc(-c2noc(Cc3cc(OC)ccc3OC)n2)ccc1[O-] ZINC000445432508 500984716 /nfs/dbraw/zinc/98/47/16/500984716.db2.gz SZONWLCACPUUEY-UHFFFAOYSA-N -1 3 356.378 3.449 20 0 FGADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1ccc(-c2nc3ccccc3s2)o1 ZINC000440376413 501001804 /nfs/dbraw/zinc/00/18/04/501001804.db2.gz ZQWSLTQVKKCGPA-UHFFFAOYSA-N -1 3 368.374 3.318 20 0 FGADHM CC(C)[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1cnn(-c2ccccc2)c1 ZINC000445726864 501025025 /nfs/dbraw/zinc/02/50/25/501025025.db2.gz UUUWMSYRILVIEV-AWEZNQCLSA-N -1 3 361.389 3.128 20 0 FGADHM C[C@@H](Cc1cc(Br)ccc1F)[N-]S(=O)(=O)c1ccco1 ZINC000445729438 501025271 /nfs/dbraw/zinc/02/52/71/501025271.db2.gz AEKYHJPGXOCNLN-VIFPVBQESA-N -1 3 362.220 3.091 20 0 FGADHM CCSCc1cccc(NC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)c1 ZINC000440588808 501025996 /nfs/dbraw/zinc/02/59/96/501025996.db2.gz QBJXAWGXGQPCKP-UHFFFAOYSA-N -1 3 355.419 3.467 20 0 FGADHM CCC1(c2noc(-c3ccc(F)c([N-]S(C)(=O)=O)c3)n2)CCCC1 ZINC000445779472 501030831 /nfs/dbraw/zinc/03/08/31/501030831.db2.gz CZDFJFCXRVTUEB-UHFFFAOYSA-N -1 3 353.419 3.469 20 0 FGADHM O=C(Nc1ncc(Cc2cccc(Cl)c2Cl)s1)c1nc[n-]n1 ZINC000435940798 501049377 /nfs/dbraw/zinc/04/93/77/501049377.db2.gz JPOBELRLOWQLRL-UHFFFAOYSA-N -1 3 354.222 3.411 20 0 FGADHM COC(=O)c1cccc(F)c1[N-]C(=O)c1nn(-c2ccccc2)cc1OC ZINC000446099604 501074105 /nfs/dbraw/zinc/07/41/05/501074105.db2.gz NQRKBVXWMJRTPL-UHFFFAOYSA-N -1 3 369.352 3.059 20 0 FGADHM COC(=O)c1cccc(F)c1[N-]C(=O)c1csc([C@H]2CCCO2)n1 ZINC000446106158 501075701 /nfs/dbraw/zinc/07/57/01/501075701.db2.gz ZAJSITDWEJFDHM-GFCCVEGCSA-N -1 3 350.371 3.173 20 0 FGADHM CCn1cc(C(=O)[N-]c2nnc(CC(F)(F)F)s2)c(C(F)(F)F)n1 ZINC000436172247 501083461 /nfs/dbraw/zinc/08/34/61/501083461.db2.gz FPUFVCZEEMLLRV-UHFFFAOYSA-N -1 3 373.282 3.130 20 0 FGADHM COC(=O)c1cccc(F)c1[N-]S(=O)(=O)c1cc(C)c(OC)cc1C ZINC000436180718 501085128 /nfs/dbraw/zinc/08/51/28/501085128.db2.gz ZPXGYVHWPGLEMJ-UHFFFAOYSA-N -1 3 367.398 3.039 20 0 FGADHM CCOC(=O)c1cc(C(=O)[N-]c2cc(-c3cc(C)c(C)cc3C)[nH]n2)on1 ZINC000449815402 501095608 /nfs/dbraw/zinc/09/56/08/501095608.db2.gz QLPOVNWCAFWQTB-UHFFFAOYSA-N -1 3 368.393 3.419 20 0 FGADHM O=C(NCCCNC(=O)[C@H]1CCC[C@@H]1c1ccccc1)c1cccc([O-])c1 ZINC000449835944 501102074 /nfs/dbraw/zinc/10/20/74/501102074.db2.gz RCVYFSMXVHLVAG-UXHICEINSA-N -1 3 366.461 3.212 20 0 FGADHM CC(=O)N(Cc1ccc(NC(=O)Cc2ccc([O-])c(F)c2)cc1)C(C)C ZINC000449887741 501117904 /nfs/dbraw/zinc/11/79/04/501117904.db2.gz KRWBMLFXFVENJC-UHFFFAOYSA-N -1 3 358.413 3.469 20 0 FGADHM O=C(Cc1ccc([O-])c(F)c1)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000450464166 501127595 /nfs/dbraw/zinc/12/75/95/501127595.db2.gz WLZLUVHAUMZHDU-GFCCVEGCSA-N -1 3 366.795 3.261 20 0 FGADHM CC[C@@H]1CCC[C@@H]1C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000449978486 501143374 /nfs/dbraw/zinc/14/33/74/501143374.db2.gz NPFQBHUSRBRPEI-RISCZKNCSA-N -1 3 354.447 3.031 20 0 FGADHM C[C@@H]1[C@H](C)[S@@](=O)CCN1C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436533571 501150368 /nfs/dbraw/zinc/15/03/68/501150368.db2.gz GHSWRBSHVKOICL-MOZQLWJVSA-N -1 3 371.502 3.159 20 0 FGADHM COc1ccc(C(=O)Nc2cccc(CN3C[C@@H](C)O[C@H](C)C3)c2)c([O-])c1 ZINC000436537891 501151045 /nfs/dbraw/zinc/15/10/45/501151045.db2.gz POBJVXQZUNXQND-HUUCEWRRSA-N -1 3 370.449 3.262 20 0 FGADHM COc1ccc(C(=O)N(C)[C@@H](c2cnn(C)c2)c2cccc(F)c2)c([O-])c1 ZINC000436542372 501151975 /nfs/dbraw/zinc/15/19/75/501151975.db2.gz GNROACWXWHMICU-LJQANCHMSA-N -1 3 369.396 3.135 20 0 FGADHM O=C(NCc1nc(-c2cccs2)no1)c1cc2c(cc1[O-])CCCC2 ZINC000436540666 501151980 /nfs/dbraw/zinc/15/19/80/501151980.db2.gz QJSVNQLJUZYCEQ-UHFFFAOYSA-N -1 3 355.419 3.313 20 0 FGADHM COc1ccc(CNC(=O)c2ccc(C(C)C)cc2[O-])cc1NC(C)=O ZINC000436547367 501153511 /nfs/dbraw/zinc/15/35/11/501153511.db2.gz SAGAFAORPNYTEK-UHFFFAOYSA-N -1 3 356.422 3.413 20 0 FGADHM O=C(N[C@H]1CCN(c2ccccc2Br)C1)c1ccccc1[O-] ZINC000436549251 501154435 /nfs/dbraw/zinc/15/44/35/501154435.db2.gz UKQHUHZSPUABKT-LBPRGKRZSA-N -1 3 361.239 3.163 20 0 FGADHM CN(C(=O)c1cc2c(cc1[O-])CCCC2)[C@H]1CCN(c2ccccc2)C1=O ZINC000436557262 501156286 /nfs/dbraw/zinc/15/62/86/501156286.db2.gz SZBGWANZWRTIRV-IBGZPJMESA-N -1 3 364.445 3.149 20 0 FGADHM CCOC(=O)[C@@H](Cc1ccccc1)N(C(=O)c1ccc(C)cc1[O-])C1CC1 ZINC000436556511 501156352 /nfs/dbraw/zinc/15/63/52/501156352.db2.gz QIPDGDPBJGWLMH-LJQANCHMSA-N -1 3 367.445 3.480 20 0 FGADHM Cc1ccc(C(=O)NCCCC(=O)N2CCc3ccccc32)c([O-])c1C ZINC000436555073 501156534 /nfs/dbraw/zinc/15/65/34/501156534.db2.gz MHZUEEMRUHJBFA-UHFFFAOYSA-N -1 3 352.434 3.108 20 0 FGADHM O=C(NCCCCN1CCOCC1)c1cc(Cl)c2ccccc2c1[O-] ZINC000436560752 501156726 /nfs/dbraw/zinc/15/67/26/501156726.db2.gz HJFLDWCQDIGRFG-UHFFFAOYSA-N -1 3 362.857 3.041 20 0 FGADHM O=C(NCCCCN1CCOCC1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436559892 501156965 /nfs/dbraw/zinc/15/69/65/501156965.db2.gz CJKFLJIKTLAXRC-UHFFFAOYSA-N -1 3 370.449 3.027 20 0 FGADHM COc1ccc(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)c(OC)c1OC ZINC000436569079 501158520 /nfs/dbraw/zinc/15/85/20/501158520.db2.gz ZPJLDCHNFHUGKO-UHFFFAOYSA-N -1 3 373.405 3.384 20 0 FGADHM COC(=O)c1ccc(F)c([N-]S(=O)(=O)Cc2ccccc2Cl)c1 ZINC000446753598 501160863 /nfs/dbraw/zinc/16/08/63/501160863.db2.gz MMFKDQKDBUKGSB-UHFFFAOYSA-N -1 3 357.790 3.208 20 0 FGADHM Cc1ccc(C(=O)NCc2ccc(C)cc2OC[C@H]2CCOC2)c([O-])c1 ZINC000436581786 501162436 /nfs/dbraw/zinc/16/24/36/501162436.db2.gz BYLPSCQSMRTKCK-INIZCTEOSA-N -1 3 355.434 3.354 20 0 FGADHM CCOc1cccc(CNC(=O)c2cc(OC)ccc2[O-])c1OC(F)F ZINC000436583138 501162834 /nfs/dbraw/zinc/16/28/34/501162834.db2.gz JRKBTPBMKYZFQI-UHFFFAOYSA-N -1 3 367.348 3.331 20 0 FGADHM CC[C@H]1Oc2cc([C@@H](C)NC(=O)c3cc(C)ccc3[O-])ccc2NC1=O ZINC000436589020 501163790 /nfs/dbraw/zinc/16/37/90/501163790.db2.gz OFTXXTCUSURBNL-SJKOYZFVSA-N -1 3 354.406 3.301 20 0 FGADHM C[C@H](CO[C@@H]1CCOC1)NC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436586212 501164269 /nfs/dbraw/zinc/16/42/69/501164269.db2.gz SAGWBCFCIYIKSB-RHSMWYFYSA-N -1 3 357.406 3.108 20 0 FGADHM O=S(=O)(Cc1ccc(F)c(Cl)c1)[N-]c1ccn(-c2ccncc2)n1 ZINC000446789855 501164739 /nfs/dbraw/zinc/16/47/39/501164739.db2.gz KDQDUOBJGGKBMV-UHFFFAOYSA-N -1 3 366.805 3.002 20 0 FGADHM Cn1nc(C(=O)Nc2cc(Br)ccc2[O-])c2c1CCCC2 ZINC000450051557 501165088 /nfs/dbraw/zinc/16/50/88/501165088.db2.gz WRNITGNHJUFWEL-UHFFFAOYSA-N -1 3 350.216 3.019 20 0 FGADHM Cc1nc(N2CCOCC2)ccc1NC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436598431 501166775 /nfs/dbraw/zinc/16/67/75/501166775.db2.gz ZEBDSMUEDRRDCZ-UHFFFAOYSA-N -1 3 367.449 3.063 20 0 FGADHM COC(=O)[C@@H](CC(F)F)NC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436604791 501168329 /nfs/dbraw/zinc/16/83/29/501168329.db2.gz OQHYFSAMDDCSBD-CQSZACIVSA-N -1 3 365.332 3.111 20 0 FGADHM C[C@@H](NC(=O)c1cc(CCc2ccccc2)ccc1[O-])C(=O)NC(C)(C)C ZINC000436613302 501170106 /nfs/dbraw/zinc/17/01/06/501170106.db2.gz UPWPEAPOCXYJRZ-OAHLLOKOSA-N -1 3 368.477 3.210 20 0 FGADHM Cc1cc(Br)cc2c1CN(C(=O)c1c([O-])cccc1O)CC2 ZINC000436622263 501172334 /nfs/dbraw/zinc/17/23/34/501172334.db2.gz BYDUPOYYSDFCCU-UHFFFAOYSA-N -1 3 362.223 3.367 20 0 FGADHM Cc1cccc([C@@H](C)NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])c1C ZINC000436626210 501172953 /nfs/dbraw/zinc/17/29/53/501172953.db2.gz ONLCXKYNZWEWLI-APWZRJJASA-N -1 3 366.461 3.491 20 0 FGADHM CCc1cccc2c1OCC[C@H]2NC(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000436630205 501173965 /nfs/dbraw/zinc/17/39/65/501173965.db2.gz MNHJGMROFWZKNI-QGZVFWFLSA-N -1 3 354.406 3.167 20 0 FGADHM COc1cccc(CN(C[C@H]2CCCO2)C(=O)c2ccc([O-])c(OC)c2)c1 ZINC000436636752 501175364 /nfs/dbraw/zinc/17/53/64/501175364.db2.gz SAIHVSRIAYSUBF-GOSISDBHSA-N -1 3 371.433 3.231 20 0 FGADHM CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1c([O-])cccc1O ZINC000436636985 501175656 /nfs/dbraw/zinc/17/56/56/501175656.db2.gz UBNUNNAKZDMYPU-UHFFFAOYSA-N -1 3 369.204 3.115 20 0 FGADHM CC(=O)c1ccc(C(=O)N(C)[C@H]2CCCN(c3ccccc3)C2)cc1[O-] ZINC000436645678 501177381 /nfs/dbraw/zinc/17/73/81/501177381.db2.gz DVGGHQMCXWHFPR-SFHVURJKSA-N -1 3 352.434 3.336 20 0 FGADHM COC[C@H]([N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1)C1CC1 ZINC000441879053 501179878 /nfs/dbraw/zinc/17/98/78/501179878.db2.gz MCXVPOAXZKVSRT-ZDUSSCGKSA-N -1 3 372.899 3.167 20 0 FGADHM Cc1ccc(C(=O)N2CCc3c(ncn3-c3ccc(F)cc3)C2)c([O-])c1 ZINC000436660745 501181125 /nfs/dbraw/zinc/18/11/25/501181125.db2.gz VWYYWSHZUNIDQU-UHFFFAOYSA-N -1 3 351.381 3.224 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)Nc2nc(C(C)(C)C)cs2)c([O-])c1 ZINC000436661518 501181663 /nfs/dbraw/zinc/18/16/63/501181663.db2.gz CWXHQNWWPZMCQJ-UHFFFAOYSA-N -1 3 361.467 3.213 20 0 FGADHM O=C(NCCCOC(F)F)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436665506 501182576 /nfs/dbraw/zinc/18/25/76/501182576.db2.gz PDZFYEVLSIBVNG-UHFFFAOYSA-N -1 3 351.349 3.330 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)Nc2cccc(N3CCCC3)c2)c([O-])c1 ZINC000436668272 501183127 /nfs/dbraw/zinc/18/31/27/501183127.db2.gz XEHWNLCKJIGYIB-UHFFFAOYSA-N -1 3 367.449 3.059 20 0 FGADHM COc1cc(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)ccc1NC(C)=O ZINC000436683560 501188200 /nfs/dbraw/zinc/18/82/00/501188200.db2.gz UXILOAVUYPLBNJ-UHFFFAOYSA-N -1 3 370.405 3.325 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)Nc2cc(C)cc3cccnc32)c([O-])c1 ZINC000436690930 501189675 /nfs/dbraw/zinc/18/96/75/501189675.db2.gz SCWHOPCMCCOAMN-UHFFFAOYSA-N -1 3 363.417 3.316 20 0 FGADHM COc1cc(-c2nc(-c3ccc4c(n3)CCCC4)no2)cc(OC)c1[O-] ZINC000436691650 501189690 /nfs/dbraw/zinc/18/96/90/501189690.db2.gz UEJFVXSVNKEOFZ-UHFFFAOYSA-N -1 3 353.378 3.400 20 0 FGADHM Cc1ccc([O-])c(C(=O)N2CCN([C@@H](C)c3ccc(F)cc3F)CC2)c1 ZINC000436691866 501189877 /nfs/dbraw/zinc/18/98/77/501189877.db2.gz UKJWWARCMZCXJK-AWEZNQCLSA-N -1 3 360.404 3.498 20 0 FGADHM Cc1cc2[nH]c(C(=O)NCCCNC(=O)c3cccc([O-])c3)cc2c(C)c1 ZINC000588218738 506239609 /nfs/dbraw/zinc/23/96/09/506239609.db2.gz AURFSPSFCVIHQU-UHFFFAOYSA-N -1 3 365.433 3.040 20 0 FGADHM Cc1cccc(C(=O)N[C@H]2CCCN([C@H](C)c3ccc(F)cc3)C2=O)c1[O-] ZINC000436701023 501191627 /nfs/dbraw/zinc/19/16/27/501191627.db2.gz XVTVFWAIIQMNBY-KDOFPFPSSA-N -1 3 370.424 3.322 20 0 FGADHM CC1(C)CN(C(=O)c2ccc3c(c2[O-])CCCC3)C[C@H](C(F)(F)F)O1 ZINC000436705011 501192233 /nfs/dbraw/zinc/19/22/33/501192233.db2.gz IQMAQAMVESGPCR-CQSZACIVSA-N -1 3 357.372 3.453 20 0 FGADHM CCO[C@@H]1C[C@@H](NC(=O)c2ccc([O-])c(CC)c2)[C@H]1Oc1ccccc1 ZINC000436709806 501193810 /nfs/dbraw/zinc/19/38/10/501193810.db2.gz ZOZPVTFBVQNLMQ-MISYRCLQSA-N -1 3 355.434 3.309 20 0 FGADHM Cc1ccc(C(=O)Nc2ccc(F)c(N3C(=O)CCC3=O)c2)c([O-])c1C ZINC000436715356 501195659 /nfs/dbraw/zinc/19/56/59/501195659.db2.gz OTSMYPALVRJDQP-UHFFFAOYSA-N -1 3 356.353 3.054 20 0 FGADHM COc1ccc([C@H]2CCCN2C(=O)c2cc(OC)ccc2[O-])c(OC)c1 ZINC000436722410 501197301 /nfs/dbraw/zinc/19/73/01/501197301.db2.gz NDSMNXRNOBIXHH-QGZVFWFLSA-N -1 3 357.406 3.395 20 0 FGADHM O=C(N[C@H](CCO)c1ccccc1Br)c1ccccc1[O-] ZINC000436726489 501197963 /nfs/dbraw/zinc/19/79/63/501197963.db2.gz YEXBTNOPWWLZBZ-CQSZACIVSA-N -1 3 350.212 3.008 20 0 FGADHM C[C@@H]1CN(C(=O)c2ccc(Br)cc2[O-])CCN(C2CCC2)C1 ZINC000436737773 501200419 /nfs/dbraw/zinc/20/04/19/501200419.db2.gz RBAZGXYCFQZETN-LBPRGKRZSA-N -1 3 367.287 3.101 20 0 FGADHM COC(=O)C[C@H]1COCCN1C(=O)c1cc(C(C)C)cc(C(C)C)c1[O-] ZINC000436740094 501201581 /nfs/dbraw/zinc/20/15/81/501201581.db2.gz RDYWVJDOTBLXNL-HNNXBMFYSA-N -1 3 363.454 3.043 20 0 FGADHM C[C@H](CNC(=O)c1cc(Oc2ccccc2)ccc1[O-])N1CCCCC1=O ZINC000436738109 501201624 /nfs/dbraw/zinc/20/16/24/501201624.db2.gz NDLOHFIWCKWYCL-OAHLLOKOSA-N -1 3 368.433 3.315 20 0 FGADHM COc1ccc([C@@H](NC(=O)c2ccc(C)c(C)c2[O-])c2nccn2C)cc1 ZINC000436753588 501204972 /nfs/dbraw/zinc/20/49/72/501204972.db2.gz FOXWPOYZQFNLEY-GOSISDBHSA-N -1 3 365.433 3.271 20 0 FGADHM C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1cc(Br)cc(Cl)c1[O-] ZINC000436768780 501208826 /nfs/dbraw/zinc/20/88/26/501208826.db2.gz GOHGCGOHVUIOLO-AMIZOPFISA-N -1 3 373.678 3.021 20 0 FGADHM CCOC(=O)c1ccc(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)nc1 ZINC000436775903 501209454 /nfs/dbraw/zinc/20/94/54/501209454.db2.gz GQPAGWWFMNGFIN-UHFFFAOYSA-N -1 3 354.284 3.235 20 0 FGADHM COc1ccc(CNC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)cc1OC ZINC000436775046 501209593 /nfs/dbraw/zinc/20/95/93/501209593.db2.gz CROZIBUAGTZEQA-UHFFFAOYSA-N -1 3 357.406 3.053 20 0 FGADHM Cc1sc2ncn(CCc3nc(-c4ccc([O-])cc4)no3)c(=O)c2c1C ZINC000436779438 501209986 /nfs/dbraw/zinc/20/99/86/501209986.db2.gz WQSKFIXKNRZDPJ-UHFFFAOYSA-N -1 3 368.418 3.073 20 0 FGADHM CC(C)(C)OC(=O)C1CCN(C(=O)c2cc3c(cc2[O-])CCCC3)CC1 ZINC000436782984 501211087 /nfs/dbraw/zinc/21/10/87/501211087.db2.gz KCIRSECHYVGXJX-UHFFFAOYSA-N -1 3 359.466 3.465 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](C)[C@H]2Oc3ccccc3[C@@H]2C)c1 ZINC000436786089 501211461 /nfs/dbraw/zinc/21/14/61/501211461.db2.gz BRCFDBDDPXKZLP-CRTZDJKQSA-N -1 3 354.406 3.034 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C)c2ccc(-n3cccn3)cc2)c1 ZINC000436786931 501211476 /nfs/dbraw/zinc/21/14/76/501211476.db2.gz LKSWVCBFYWVMRF-ZDUSSCGKSA-N -1 3 364.405 3.027 20 0 FGADHM O=S(=O)([N-][C@@H](c1ccccc1)c1cccc(F)c1)c1cncc(F)c1 ZINC000447172909 501211636 /nfs/dbraw/zinc/21/16/36/501211636.db2.gz WEFIYYPXCJLBQW-SFHVURJKSA-N -1 3 360.385 3.428 20 0 FGADHM O=S(=O)([N-][C@H](c1ccccc1)c1cccc(F)c1)c1cncc(F)c1 ZINC000447172908 501211690 /nfs/dbraw/zinc/21/16/90/501211690.db2.gz WEFIYYPXCJLBQW-GOSISDBHSA-N -1 3 360.385 3.428 20 0 FGADHM CCN(CCN1CCCCCC1)C(=O)c1cc(Br)ccc1[O-] ZINC000436789745 501211945 /nfs/dbraw/zinc/21/19/45/501211945.db2.gz CTMVGEDVDCMSAP-UHFFFAOYSA-N -1 3 369.303 3.493 20 0 FGADHM COc1ccc(C(=O)CCc2nc(-c3ccc([O-])c(OC)c3)no2)cc1 ZINC000436789582 501212126 /nfs/dbraw/zinc/21/21/26/501212126.db2.gz LBJPKUVLHILJDR-UHFFFAOYSA-N -1 3 354.362 3.275 20 0 FGADHM O=C1[N-][C@](c2ccccc2)(C(F)(F)F)C(=O)N1C[C@H]1CCCC1(F)F ZINC000450816823 501213195 /nfs/dbraw/zinc/21/31/95/501213195.db2.gz BYRNUKQAWYMJMD-ABAIWWIYSA-N -1 3 362.298 3.431 20 0 FGADHM O=C(Nc1cccc(CN2CC[C@H](O)C2)c1)c1ccc2c(c1[O-])CCCC2 ZINC000436833555 501218538 /nfs/dbraw/zinc/21/85/38/501218538.db2.gz JXTLMGOXSGSTBE-SFHVURJKSA-N -1 3 366.461 3.090 20 0 FGADHM CC(=O)c1ccc(C(=O)NC[C@H](c2ccccc2Cl)N(C)C)cc1[O-] ZINC000436849907 501221006 /nfs/dbraw/zinc/22/10/06/501221006.db2.gz WDDWXXWAYJVABL-QGZVFWFLSA-N -1 3 360.841 3.281 20 0 FGADHM CC(=O)c1ccc(C(=O)N(C)Cc2ccccc2N2CCCC2)cc1[O-] ZINC000436853036 501221866 /nfs/dbraw/zinc/22/18/66/501221866.db2.gz BQQAMSFFJWLXFX-UHFFFAOYSA-N -1 3 352.434 3.467 20 0 FGADHM Cn1c(CCNC(=O)c2cc3c(cc2[O-])CCCC3)nc2ccc(F)cc21 ZINC000436861774 501222838 /nfs/dbraw/zinc/22/28/38/501222838.db2.gz VKFJNHBCIKIDLW-UHFFFAOYSA-N -1 3 367.424 3.269 20 0 FGADHM COc1ccc(C(=O)N2C[C@@H](C)N(Cc3ccccc3)C[C@@H]2C)c([O-])c1 ZINC000436864112 501223364 /nfs/dbraw/zinc/22/33/64/501223364.db2.gz YFGXJVXMRQGPKS-CVEARBPZSA-N -1 3 354.450 3.136 20 0 FGADHM CCCCO[C@H]1C[C@@H](NC(=O)c2cc(OC)c([O-])c(OC)c2)C1(C)C ZINC000436874235 501225441 /nfs/dbraw/zinc/22/54/41/501225441.db2.gz UULKXVMMKRJDBA-CVEARBPZSA-N -1 3 351.443 3.123 20 0 FGADHM CCOC(=O)c1cc(C(=O)[N-]c2ccc3c(c2)nc(C(C)(C)C)n3C)on1 ZINC000450286079 501226010 /nfs/dbraw/zinc/22/60/10/501226010.db2.gz KQHDZSXCZXHJMU-UHFFFAOYSA-N -1 3 370.409 3.288 20 0 FGADHM CCCOc1cccc(CCNC(=O)c2cc(OC)c([O-])c(OC)c2)c1 ZINC000436877874 501226313 /nfs/dbraw/zinc/22/63/13/501226313.db2.gz CIHHFIHBLIEPPD-UHFFFAOYSA-N -1 3 359.422 3.171 20 0 FGADHM O=c1[n-]nc([C@H]2CCCN(Cc3ccccc3Oc3cccnc3)C2)o1 ZINC000450897776 501226405 /nfs/dbraw/zinc/22/64/05/501226405.db2.gz RXEFEUADTCBFCA-HNNXBMFYSA-N -1 3 352.394 3.342 20 0 FGADHM COc1cccc([C@@H]2[C@@H](NC(=O)c3ccc(F)cc3[O-])CCN2C2CC2)c1 ZINC000436890746 501227546 /nfs/dbraw/zinc/22/75/46/501227546.db2.gz VJSTVKGLJUFGKN-AZUAARDMSA-N -1 3 370.424 3.248 20 0 FGADHM C[C@H](c1cccc(Br)c1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000450918287 501229452 /nfs/dbraw/zinc/22/94/52/501229452.db2.gz IBZVACQYOVFBDC-SNVBAGLBSA-N -1 3 352.232 3.478 20 0 FGADHM O=C(NCc1ccnc2ccnn21)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436894299 501228632 /nfs/dbraw/zinc/22/86/32/501228632.db2.gz QLIKPLOEZJGWQC-UHFFFAOYSA-N -1 3 372.428 3.150 20 0 FGADHM CCOC(=O)c1csc(=NCCc2ccc(OC)c(OC(F)F)c2)[n-]1 ZINC000450298702 501228884 /nfs/dbraw/zinc/22/88/84/501228884.db2.gz BWUNNYQLWVUFGY-UHFFFAOYSA-N -1 3 372.393 3.006 20 0 FGADHM Cc1cccc(-c2nc(-c3ccc(Cn4cncn4)c(F)c3)no2)c1[O-] ZINC000436920414 501233173 /nfs/dbraw/zinc/23/31/73/501233173.db2.gz ROSTYYPOZUYSCC-UHFFFAOYSA-N -1 3 351.341 3.197 20 0 FGADHM COc1ccc(C(=O)N[C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)c([O-])c1 ZINC000436926784 501233658 /nfs/dbraw/zinc/23/36/58/501233658.db2.gz NDWZINJSYMMVSC-LBPRGKRZSA-N -1 3 369.421 3.176 20 0 FGADHM CO[C@@H](C)CS(=O)(=O)[N-]c1ccc(-c2cn3ccc(C)cc3n2)cc1 ZINC000450963476 501235418 /nfs/dbraw/zinc/23/54/18/501235418.db2.gz BKKQUIZZOHURLR-AWEZNQCLSA-N -1 3 359.451 3.086 20 0 FGADHM CCOC(=O)c1cc(C(=O)[N-]c2cc(C(=O)OC)ccc2C(C)C)on1 ZINC000451056609 501242448 /nfs/dbraw/zinc/24/24/48/501242448.db2.gz OXFOBCIRTKOZMH-UHFFFAOYSA-N -1 3 360.366 3.014 20 0 FGADHM CCN(CC)[C@H](C[N-]S(=O)(=O)C[C@H]1CCCC1(F)F)c1ccco1 ZINC000451131751 501247459 /nfs/dbraw/zinc/24/74/59/501247459.db2.gz SRFAOVBVMPHWAM-ZIAGYGMSSA-N -1 3 364.458 3.017 20 0 FGADHM COC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)Cc1c(F)cccc1Cl ZINC000451265347 501256159 /nfs/dbraw/zinc/25/61/59/501256159.db2.gz BMVQTMMSIUSDFH-CQSZACIVSA-N -1 3 371.861 3.156 20 0 FGADHM CCOC[C@H](C)CS(=O)(=O)[N-][C@@H](CC)c1nc(C(F)(F)F)cs1 ZINC000451268405 501256492 /nfs/dbraw/zinc/25/64/92/501256492.db2.gz DNRFMENDKPJHCG-UWVGGRQHSA-N -1 3 374.450 3.205 20 0 FGADHM COc1ccc([C@H](OC)[C@@H](C)[N-]S(=O)(=O)c2cc(C)cs2)cc1 ZINC000451366887 501276270 /nfs/dbraw/zinc/27/62/70/501276270.db2.gz HTDQWJZRXLWYDV-MLGOLLRUSA-N -1 3 355.481 3.120 20 0 FGADHM Cc1csc(S(=O)(=O)[N-]C2CCC(C(=O)OC(C)(C)C)CC2)c1 ZINC000451378200 501279194 /nfs/dbraw/zinc/27/91/94/501279194.db2.gz ZPISGIRLMVWRNO-UHFFFAOYSA-N -1 3 359.513 3.235 20 0 FGADHM CCOc1ccncc1S(=O)(=O)[N-]C[C@H](c1ccccc1)C(F)(F)F ZINC000451413743 501286939 /nfs/dbraw/zinc/28/69/39/501286939.db2.gz HJLBBAYFBGBXJD-CYBMUJFWSA-N -1 3 374.384 3.105 20 0 FGADHM CC1(C)CCC[C@@](O)(C[N-]S(=O)(=O)C[C@H]2CCCCC2(F)F)C1 ZINC000451434262 501292661 /nfs/dbraw/zinc/29/26/61/501292661.db2.gz HJCDJDQPTLPPLT-HIFRSBDPSA-N -1 3 353.475 3.063 20 0 FGADHM CCOC1CC(CC[N-]S(=O)(=O)c2ccc3ccccc3c2F)C1 ZINC000451447825 501294759 /nfs/dbraw/zinc/29/47/59/501294759.db2.gz CYXSYEQPVTYDIL-UHFFFAOYSA-N -1 3 351.443 3.462 20 0 FGADHM COc1cc(-c2nc([C@@H](Cc3ccccc3)OC)no2)cc(OC)c1[O-] ZINC000453235194 501296282 /nfs/dbraw/zinc/29/62/82/501296282.db2.gz TYIKDFQTLGNONF-MRXNPFEDSA-N -1 3 356.378 3.390 20 0 FGADHM Cc1csc(S(=O)(=O)[N-]C[C@@H]2CCN(c3ccccc3F)C2)c1 ZINC000451561458 501324805 /nfs/dbraw/zinc/32/48/05/501324805.db2.gz CWEJSLSKWKSNTD-ZDUSSCGKSA-N -1 3 354.472 3.000 20 0 FGADHM CC1(C)CN(C(=O)Cc2ccc([O-])c(F)c2)C[C@H](COc2ccccc2)O1 ZINC000451563261 501325534 /nfs/dbraw/zinc/32/55/34/501325534.db2.gz DTTFRYVQQWPVHA-QGZVFWFLSA-N -1 3 373.424 3.159 20 0 FGADHM CC[C@@]1(C[N-]S(=O)(=O)C[C@H]2CCCC2(F)F)OCCc2ccccc21 ZINC000451568477 501326682 /nfs/dbraw/zinc/32/66/82/501326682.db2.gz RDIIXKIYROMRCY-WBVHZDCISA-N -1 3 373.465 3.219 20 0 FGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H]1CCCCC1(F)F ZINC000451639463 501341644 /nfs/dbraw/zinc/34/16/44/501341644.db2.gz IDVDXGLAEHZESE-SNVBAGLBSA-N -1 3 353.818 3.452 20 0 FGADHM CC[C@@H](COCC(F)(F)F)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000451646507 501343539 /nfs/dbraw/zinc/34/35/39/501343539.db2.gz FSDGTNWHIIYQNZ-ZETCQYMHSA-N -1 3 351.799 3.037 20 0 FGADHM O=C(Cc1ccc([O-])c(F)c1)N[C@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000451686072 501350516 /nfs/dbraw/zinc/35/05/16/501350516.db2.gz NIZBBSHYZLNFDQ-IBGZPJMESA-N -1 3 363.816 3.245 20 0 FGADHM CC1(C)OCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000451696578 501353182 /nfs/dbraw/zinc/35/31/82/501353182.db2.gz GOHOLQXYRVMZBL-NSHDSACASA-N -1 3 357.781 3.205 20 0 FGADHM CC1(C)[C@@H](CNC(=O)c2ccc([N-]S(C)(=O)=O)cc2)[C@@H]1c1ccccc1 ZINC000457999840 501353295 /nfs/dbraw/zinc/35/32/95/501353295.db2.gz RSVMJWAZYDXQRR-ROUUACIJSA-N -1 3 372.490 3.228 20 0 FGADHM Cc1c(Cl)cc(S(=O)(=O)[N-]C2(CF)CCOCC2)cc1Cl ZINC000451740313 501363922 /nfs/dbraw/zinc/36/39/22/501363922.db2.gz XDZIOPOTWOXFLR-UHFFFAOYSA-N -1 3 356.246 3.099 20 0 FGADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N[C@@H]3C[C@H]3C(C)C)cs2)c1 ZINC000458117521 501375316 /nfs/dbraw/zinc/37/53/16/501375316.db2.gz SGUWYQZAWBGOBY-DZGCQCFKSA-N -1 3 373.478 3.113 20 0 FGADHM Cc1cc(NC(=O)c2c(F)ccc([O-])c2F)ccc1OCCN(C)C ZINC000458218989 501396277 /nfs/dbraw/zinc/39/62/77/501396277.db2.gz RSGAVAXDMZVGOF-UHFFFAOYSA-N -1 3 350.365 3.172 20 0 FGADHM COc1ccc(S(=O)(=O)[N-][C@H](C)[C@H](OC)C2CC2)c(Cl)c1Cl ZINC000451998922 501415859 /nfs/dbraw/zinc/41/58/59/501415859.db2.gz VGOTXDQNYUVUCL-CLAHSXSESA-N -1 3 368.282 3.094 20 0 FGADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]C1(C2(C)CC2)CC1 ZINC000451998380 501416003 /nfs/dbraw/zinc/41/60/03/501416003.db2.gz VDTLAZRHENKSFY-UHFFFAOYSA-N -1 3 365.476 3.299 20 0 FGADHM O=S(=O)([N-]CCC[C@H]1CCOC1)c1ccc(Cl)cc1C(F)(F)F ZINC000452009822 501417539 /nfs/dbraw/zinc/41/75/39/501417539.db2.gz APFWUSZMSBWCIR-JTQLQIEISA-N -1 3 371.808 3.454 20 0 FGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]CCC[C@@H]3CCOC3)s2)cs1 ZINC000452011147 501418576 /nfs/dbraw/zinc/41/85/76/501418576.db2.gz CJXJPCMZYGEYLR-GFCCVEGCSA-N -1 3 372.537 3.275 20 0 FGADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@@H]2C[C@H]2C2CC2)s1 ZINC000452043030 501423454 /nfs/dbraw/zinc/42/34/54/501423454.db2.gz DBAVUTHSGCBJEM-UWVGGRQHSA-N -1 3 350.303 3.143 20 0 FGADHM CCC[C@H]1CCCC[C@@H]1C[N-]S(=O)(=O)c1ccc(CNC(C)=O)s1 ZINC000452040858 501423763 /nfs/dbraw/zinc/42/37/63/501423763.db2.gz IGVDVIHELFNLBS-LSDHHAIUSA-N -1 3 372.556 3.269 20 0 FGADHM C[C@H](CN(C)C(=O)c1cc([O-])ccc1C(F)(F)F)C(=O)OC(C)(C)C ZINC000458377282 501431178 /nfs/dbraw/zinc/43/11/78/501431178.db2.gz AZHSXSNAVQWEAX-SNVBAGLBSA-N -1 3 361.360 3.461 20 0 FGADHM COC[C@]1(C(=O)[O-])CCCN(Cc2cc(Cl)ccc2OCC2CC2)C1 ZINC000582492293 506252655 /nfs/dbraw/zinc/25/26/55/506252655.db2.gz UDGZBSOUCIDSGU-IBGZPJMESA-N -1 3 367.873 3.442 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-][C@H](c1cccs1)C1(CO)CCC1 ZINC000452085067 501431840 /nfs/dbraw/zinc/43/18/40/501431840.db2.gz LQZAJKXIRPAEPB-CYBMUJFWSA-N -1 3 373.521 3.000 20 0 FGADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@@H]1CCO[C@H](c2cccnc2)C1 ZINC000456237717 501478946 /nfs/dbraw/zinc/47/89/46/501478946.db2.gz ANAOBUMMZHYCKN-APWZRJJASA-N -1 3 358.413 3.286 20 0 FGADHM CCOc1nc2cc(C(=O)N[C@@H](CC)COCC(F)(F)F)ccc2[n-]1 ZINC000452332873 501479756 /nfs/dbraw/zinc/47/97/56/501479756.db2.gz BCHRCZPOLCTGIN-NSHDSACASA-N -1 3 359.348 3.049 20 0 FGADHM CCOc1nc2ccc(C(=O)N[C@@H](CC)COCC(F)(F)F)cc2[n-]1 ZINC000452332873 501479758 /nfs/dbraw/zinc/47/97/58/501479758.db2.gz BCHRCZPOLCTGIN-NSHDSACASA-N -1 3 359.348 3.049 20 0 FGADHM Cc1ccccc1CCN(C)C(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000452338044 501480969 /nfs/dbraw/zinc/48/09/69/501480969.db2.gz ZBTUDHUEOQNXDN-IBGZPJMESA-N -1 3 366.461 3.006 20 0 FGADHM C[C@](Cc1ccccc1)(NC(=O)NCc1nnc(C(F)(F)F)[n-]1)C1CC1 ZINC000458646582 501497569 /nfs/dbraw/zinc/49/75/69/501497569.db2.gz DYYCRENQMANKOU-MRXNPFEDSA-N -1 3 367.375 3.034 20 0 FGADHM C[C@](Cc1ccccc1)(NC(=O)NCc1n[n-]c(C(F)(F)F)n1)C1CC1 ZINC000458646582 501497572 /nfs/dbraw/zinc/49/75/72/501497572.db2.gz DYYCRENQMANKOU-MRXNPFEDSA-N -1 3 367.375 3.034 20 0 FGADHM C[C@](Cc1ccccc1)(NC(=O)NCc1nc(C(F)(F)F)n[n-]1)C1CC1 ZINC000458646582 501497574 /nfs/dbraw/zinc/49/75/74/501497574.db2.gz DYYCRENQMANKOU-MRXNPFEDSA-N -1 3 367.375 3.034 20 0 FGADHM C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000458672636 501503986 /nfs/dbraw/zinc/50/39/86/501503986.db2.gz YVMPLFFKTKQUDY-NQBHXWOUSA-N -1 3 367.375 3.300 20 0 FGADHM C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000458672636 501503990 /nfs/dbraw/zinc/50/39/90/501503990.db2.gz YVMPLFFKTKQUDY-NQBHXWOUSA-N -1 3 367.375 3.300 20 0 FGADHM C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000458672636 501503992 /nfs/dbraw/zinc/50/39/92/501503992.db2.gz YVMPLFFKTKQUDY-NQBHXWOUSA-N -1 3 367.375 3.300 20 0 FGADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N[C@H]1CCCC[C@H]1CC(F)(F)F ZINC000454303356 501507463 /nfs/dbraw/zinc/50/74/63/501507463.db2.gz PVCHDSNWHKUWRF-ZANVPECISA-N -1 3 369.343 3.203 20 0 FGADHM Cc1nc(C)c(CC(=O)N[C@H](c2ccc(F)c(Cl)c2)C2CC2)c(=O)[n-]1 ZINC000452594518 501529423 /nfs/dbraw/zinc/52/94/23/501529423.db2.gz URAJZJZCFPDKMQ-KRWDZBQOSA-N -1 3 363.820 3.402 20 0 FGADHM Cc1c(Br)ccc([O-])c1NC(=O)C[C@H](C)N1CCCCC1=O ZINC000452744143 501554978 /nfs/dbraw/zinc/55/49/78/501554978.db2.gz BXHQOWQYNJYSJX-JTQLQIEISA-N -1 3 369.259 3.193 20 0 FGADHM C[C@@H]1CN(CC(F)(F)F)CCN(C(=O)c2ccc3c(c2[O-])CCCC3)C1 ZINC000456665646 501570358 /nfs/dbraw/zinc/57/03/58/501570358.db2.gz VIKRKRYQXIGUCY-CYBMUJFWSA-N -1 3 370.415 3.227 20 0 FGADHM CC(C)[C@@H]1C[C@H](CNC(=O)Cc2ccc(Br)cc2[O-])CCO1 ZINC000452862184 501576105 /nfs/dbraw/zinc/57/61/05/501576105.db2.gz YKBJOCOPLWJPCQ-WBMJQRKESA-N -1 3 370.287 3.265 20 0 FGADHM CCc1cc(C(=O)N[C@@H]2C[C@@H](OC(C)(C)C)[C@@H]2n2cccn2)ccc1[O-] ZINC000456701432 501581267 /nfs/dbraw/zinc/58/12/67/501581267.db2.gz PZHOXMGRBYPXFV-KBAYOESNSA-N -1 3 357.454 3.078 20 0 FGADHM CC(C)CN(C(=O)CNC(=O)c1cccc([O-])c1)c1cccc(Cl)c1 ZINC000456783233 501597520 /nfs/dbraw/zinc/59/75/20/501597520.db2.gz LSZMEERVAQEUFQ-UHFFFAOYSA-N -1 3 360.841 3.465 20 0 FGADHM CC(C)OCCOC1CCN(C(=O)c2cc3c(cc2[O-])CCCC3)CC1 ZINC000456810326 501603171 /nfs/dbraw/zinc/60/31/71/501603171.db2.gz TUYREKMECUBHQI-UHFFFAOYSA-N -1 3 361.482 3.317 20 0 FGADHM CCOc1cc(CN2CCn3c(nnc3C(C)C)C2)cc(Cl)c1[O-] ZINC000459334570 501633020 /nfs/dbraw/zinc/63/30/20/501633020.db2.gz LTRZQQCVGMLSDP-UHFFFAOYSA-N -1 3 350.850 3.175 20 0 FGADHM CCOc1cc(CN(C)CCOCC2CC2)cc(Br)c1O ZINC000459350412 501637207 /nfs/dbraw/zinc/63/72/07/501637207.db2.gz YROHIBJCRITYQI-UHFFFAOYSA-N -1 3 358.276 3.412 20 0 FGADHM CCOc1cc(CN(C)CCOCC2CC2)cc(Br)c1[O-] ZINC000459350412 501637210 /nfs/dbraw/zinc/63/72/10/501637210.db2.gz YROHIBJCRITYQI-UHFFFAOYSA-N -1 3 358.276 3.412 20 0 FGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@H]2C[C@]2(C)C(C)C)cc1OC ZINC000459363648 501639655 /nfs/dbraw/zinc/63/96/55/501639655.db2.gz ZIPFIRAZSJXGMS-DOTOQJQBSA-N -1 3 369.487 3.013 20 0 FGADHM [O-]c1cccc(CNCC[C@H]2COc3ccccc3O2)c1Br ZINC000459436483 501653614 /nfs/dbraw/zinc/65/36/14/501653614.db2.gz QNLHYASEJNOENB-ZDUSSCGKSA-N -1 3 364.239 3.474 20 0 FGADHM [O-]c1cccc(CNC[C@@H](CO)Cc2ccccc2)c1Br ZINC000459461633 501657892 /nfs/dbraw/zinc/65/78/92/501657892.db2.gz GJCOFPJTJKHZDW-AWEZNQCLSA-N -1 3 350.256 3.096 20 0 FGADHM C[S@@](=O)C[C@H](NCc1cccc([O-])c1Br)c1ccccc1 ZINC000459491142 501663153 /nfs/dbraw/zinc/66/31/53/501663153.db2.gz ZQDORSYRMXNRFE-LHSJRXKWSA-N -1 3 368.296 3.364 20 0 FGADHM Cc1ccc(C[C@H](CO)NCc2cccc([O-])c2Br)cc1 ZINC000459494827 501663506 /nfs/dbraw/zinc/66/35/06/501663506.db2.gz KRJHPQCEAKLJNV-OAHLLOKOSA-N -1 3 350.256 3.156 20 0 FGADHM CCC1(CC)CN(Cc2cccc([O-])c2Br)CC[S@]1=O ZINC000459516996 501667868 /nfs/dbraw/zinc/66/78/68/501667868.db2.gz FCCMPZMQOGIDPY-HXUWFJFHSA-N -1 3 360.317 3.278 20 0 FGADHM CCOc1cc(CN2CC[C@H](CO)[C@H]2CC)cc(Br)c1[O-] ZINC000459573927 501679674 /nfs/dbraw/zinc/67/96/74/501679674.db2.gz SHLCTUZKFUKTQM-TZMCWYRMSA-N -1 3 358.276 3.146 20 0 FGADHM CC(C)c1cccc(CC(=O)Nc2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)c1 ZINC000457463377 501703356 /nfs/dbraw/zinc/70/33/56/501703356.db2.gz UFIWESRTRIQJOF-OAQYLSRUSA-N -1 3 365.433 3.046 20 0 FGADHM COc1cc(OC)cc(C(=O)Nc2nnc(-c3cc4ccccc4o3)[n-]2)c1 ZINC000485127647 501730784 /nfs/dbraw/zinc/73/07/84/501730784.db2.gz LKVDGSFUNNUNKI-UHFFFAOYSA-N -1 3 364.361 3.487 20 0 FGADHM COc1cc(OC)cc(C(=O)Nc2nc(-c3cc4ccccc4o3)n[n-]2)c1 ZINC000485127647 501730790 /nfs/dbraw/zinc/73/07/90/501730790.db2.gz LKVDGSFUNNUNKI-UHFFFAOYSA-N -1 3 364.361 3.487 20 0 FGADHM COc1cc(OC)cc(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)c1 ZINC000485127647 501730796 /nfs/dbraw/zinc/73/07/96/501730796.db2.gz LKVDGSFUNNUNKI-UHFFFAOYSA-N -1 3 364.361 3.487 20 0 FGADHM Cc1ccc(-c2noc(-c3ccc(F)c([N-]S(C)(=O)=O)c3)n2)c(F)c1 ZINC000460139403 501738092 /nfs/dbraw/zinc/73/80/92/501738092.db2.gz MXAFSODKVPHROS-UHFFFAOYSA-N -1 3 365.361 3.362 20 0 FGADHM CCCCn1nccc1NC(=O)Cc1ccc(Br)cc1[O-] ZINC000477620628 501740695 /nfs/dbraw/zinc/74/06/95/501740695.db2.gz HQMOWJXHJHUNAP-UHFFFAOYSA-N -1 3 352.232 3.333 20 0 FGADHM Cn1c2ccc(C(=O)Nc3nnc(-c4ccco4)[n-]3)cc2nc1C(F)F ZINC000467255095 501749138 /nfs/dbraw/zinc/74/91/38/501749138.db2.gz WDNDTQOVUTWHBG-UHFFFAOYSA-N -1 3 358.308 3.141 20 0 FGADHM Cn1c2ccc(C(=O)Nc3nc(-c4ccco4)n[n-]3)cc2nc1C(F)F ZINC000467255095 501749143 /nfs/dbraw/zinc/74/91/43/501749143.db2.gz WDNDTQOVUTWHBG-UHFFFAOYSA-N -1 3 358.308 3.141 20 0 FGADHM Cn1c2ccc(C(=O)Nc3n[n-]c(-c4ccco4)n3)cc2nc1C(F)F ZINC000467255095 501749146 /nfs/dbraw/zinc/74/91/46/501749146.db2.gz WDNDTQOVUTWHBG-UHFFFAOYSA-N -1 3 358.308 3.141 20 0 FGADHM CCOc1cc(CN2CCCc3n[nH]cc32)cc(Br)c1[O-] ZINC000485229264 501761958 /nfs/dbraw/zinc/76/19/58/501761958.db2.gz TTWCAUZVPGIBIT-UHFFFAOYSA-N -1 3 352.232 3.229 20 0 FGADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CC(c2nc3ccccc3s2)C1 ZINC000477738960 501773347 /nfs/dbraw/zinc/77/33/47/501773347.db2.gz KOVBLZULVBQENM-UHFFFAOYSA-N -1 3 361.426 3.377 20 0 FGADHM CCOC(=O)c1c(C(C)C)csc1[N-]C(=O)C(=O)N1CCC[C@H](C)C1 ZINC000467391612 501783860 /nfs/dbraw/zinc/78/38/60/501783860.db2.gz DDJTUSDWNWGAPA-LBPRGKRZSA-N -1 3 366.483 3.245 20 0 FGADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H](CO)CCC(C)(C)C ZINC000481494285 501790678 /nfs/dbraw/zinc/79/06/78/501790678.db2.gz RQTNPHWIOUVGAV-ZDUSSCGKSA-N -1 3 357.447 3.346 20 0 FGADHM CC[C@@H]1CN(C(=O)CNC(=O)c2cccc([O-])c2)CC[C@@H]1c1ccccc1 ZINC000485401034 501811141 /nfs/dbraw/zinc/81/11/41/501811141.db2.gz DGLDCHCQQIFEGR-UZLBHIALSA-N -1 3 366.461 3.164 20 0 FGADHM O=S(=O)([N-]CCOC(F)(F)F)c1ccc(Cl)c2ccccc21 ZINC000474376831 501813007 /nfs/dbraw/zinc/81/30/07/501813007.db2.gz PTQPRKTZMDYICM-UHFFFAOYSA-N -1 3 353.749 3.308 20 0 FGADHM COc1c2ccccc2oc1C[N-]S(=O)(=O)Cc1c(F)cccc1F ZINC000474386832 501816338 /nfs/dbraw/zinc/81/63/38/501816338.db2.gz DYZRMEOSZRCHHW-UHFFFAOYSA-N -1 3 367.373 3.339 20 0 FGADHM CC(C)n1cnc(S(=O)(=O)[N-]C2CC(F)(c3cccc(Cl)c3)C2)c1 ZINC000481579730 501822069 /nfs/dbraw/zinc/82/20/69/501822069.db2.gz IYPGHLWLVIQFOG-UHFFFAOYSA-N -1 3 371.865 3.423 20 0 FGADHM CN(C)CCOc1ccccc1C(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000474434379 501835570 /nfs/dbraw/zinc/83/55/70/501835570.db2.gz PVRWHWJTRLXIRE-UHFFFAOYSA-N -1 3 352.793 3.377 20 0 FGADHM O=C(CCC(=O)c1cccs1)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1 ZINC000467711587 501850945 /nfs/dbraw/zinc/85/09/45/501850945.db2.gz VAROPLMUBROORK-UHFFFAOYSA-N -1 3 361.373 3.440 20 0 FGADHM Cc1cc(C)n([C@@H](C)CC(=O)N=c2cc(-c3cc(F)cc(F)c3)[n-][nH]2)n1 ZINC000467715117 501852057 /nfs/dbraw/zinc/85/20/57/501852057.db2.gz UATIUXSSJMIBSZ-LBPRGKRZSA-N -1 3 359.380 3.180 20 0 FGADHM CC(C)Oc1cccnc1C(=O)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1 ZINC000467719209 501854331 /nfs/dbraw/zinc/85/43/31/501854331.db2.gz YIHHJKAJVINVNU-UHFFFAOYSA-N -1 3 358.348 3.211 20 0 FGADHM Cc1nc(-c2ccc(NC(=O)NC[C@@]3(C)CCCC[C@@H]3O)cc2)cc(=O)[n-]1 ZINC000481735639 501867701 /nfs/dbraw/zinc/86/77/01/501867701.db2.gz MREMWUFCMMUYQQ-FXAWDEMLSA-N -1 3 370.453 3.220 20 0 FGADHM CCc1ccc([O-])c(C(=O)NCc2ccncc2OCC(F)(F)F)c1 ZINC000467774689 501868085 /nfs/dbraw/zinc/86/80/85/501868085.db2.gz WRZPOSVKDRTHKW-UHFFFAOYSA-N -1 3 354.328 3.221 20 0 FGADHM CCN=c1[n-]c(C(=O)N2CCC(c3c(F)cccc3F)CC2)cs1 ZINC000485590934 501870505 /nfs/dbraw/zinc/87/05/05/501870505.db2.gz FHFCROYRYAWZKQ-UHFFFAOYSA-N -1 3 351.422 3.295 20 0 FGADHM C[C@H](C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)C(F)(F)F ZINC000464069553 501888916 /nfs/dbraw/zinc/88/89/16/501888916.db2.gz ZJMKDLNSDZJLMS-MRVPVSSYSA-N -1 3 370.368 3.039 20 0 FGADHM CCc1cc(=O)[n-]c(CN2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)OC(C)(C)C)n1 ZINC000481838191 501895892 /nfs/dbraw/zinc/89/58/92/501895892.db2.gz JWXMGXPQTACMBC-IMJJTQAJSA-N -1 3 361.486 3.219 20 0 FGADHM CCCCc1nc(C(=O)OCC)c(NC(=O)c2ccc(C)c(OC)c2)[n-]1 ZINC000485674496 501897431 /nfs/dbraw/zinc/89/74/31/501897431.db2.gz RIJZDWYEHFPULB-UHFFFAOYSA-N -1 3 359.426 3.498 20 0 FGADHM CCCCc1nc(NC(=O)c2ccc(C)c(OC)c2)c(C(=O)OCC)[n-]1 ZINC000485674496 501897434 /nfs/dbraw/zinc/89/74/34/501897434.db2.gz RIJZDWYEHFPULB-UHFFFAOYSA-N -1 3 359.426 3.498 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)c3ccn(C4CCCCC4)n3)[n-]c21 ZINC000471037436 501898780 /nfs/dbraw/zinc/89/87/80/501898780.db2.gz KDBGJDLGLOIEIT-UHFFFAOYSA-N -1 3 367.409 3.304 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccn(C4CCCCC4)n3)nc21 ZINC000471037436 501898784 /nfs/dbraw/zinc/89/87/84/501898784.db2.gz KDBGJDLGLOIEIT-UHFFFAOYSA-N -1 3 367.409 3.304 20 0 FGADHM Cc1cc2c(cc1S(=O)(=O)[N-]c1cncc(Cl)c1Cl)OCO2 ZINC000481859545 501901732 /nfs/dbraw/zinc/90/17/32/501901732.db2.gz OSVINSJPWYKZQJ-UHFFFAOYSA-N -1 3 361.206 3.226 20 0 FGADHM CCc1cc(C)cc(CC)c1[N-]S(=O)(=O)c1ccc(C)c(C(N)=O)c1 ZINC000481864157 501902192 /nfs/dbraw/zinc/90/21/92/501902192.db2.gz FEPRKIPZAYTTQW-UHFFFAOYSA-N -1 3 360.479 3.328 20 0 FGADHM COc1cc(F)c([N-]S(=O)(=O)c2ccc3ncccc3c2)cc1F ZINC000467936396 501909653 /nfs/dbraw/zinc/90/96/53/501909653.db2.gz ANPJETLJLOHXPX-UHFFFAOYSA-N -1 3 350.346 3.322 20 0 FGADHM CCc1cc(Br)ccc1NC(=O)NCc1ncccc1[O-] ZINC000467943989 501910623 /nfs/dbraw/zinc/91/06/23/501910623.db2.gz RVSCFEMZSPBSHI-UHFFFAOYSA-N -1 3 350.216 3.434 20 0 FGADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)c1cc(-c2ccc(Cl)cc2)on1 ZINC000481926065 501920449 /nfs/dbraw/zinc/92/04/49/501920449.db2.gz UYEOPCBKLYQTHB-UHFFFAOYSA-N -1 3 371.706 3.062 20 0 FGADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)c1cc(-c2ccc(Cl)cc2)on1 ZINC000481926065 501920451 /nfs/dbraw/zinc/92/04/51/501920451.db2.gz UYEOPCBKLYQTHB-UHFFFAOYSA-N -1 3 371.706 3.062 20 0 FGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1cc(-c2ccc(Cl)cc2)on1 ZINC000481926065 501920453 /nfs/dbraw/zinc/92/04/53/501920453.db2.gz UYEOPCBKLYQTHB-UHFFFAOYSA-N -1 3 371.706 3.062 20 0 FGADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)c1coc(-c2ccccc2Cl)n1 ZINC000481925284 501920461 /nfs/dbraw/zinc/92/04/61/501920461.db2.gz 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502493928 /nfs/dbraw/zinc/49/39/28/502493928.db2.gz OEMJBNBAECAGQY-UHFFFAOYSA-N -1 3 352.391 3.424 20 0 FGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]c3ccc(C)[nH]c3=O)s2)cs1 ZINC000480195892 502497538 /nfs/dbraw/zinc/49/75/38/502497538.db2.gz IWEJZNCYYQBGIL-UHFFFAOYSA-N -1 3 367.477 3.390 20 0 FGADHM CCOC(=O)c1ccc(NC(=O)c2cc(F)ccc2-n2cccn2)c([O-])c1 ZINC000476473270 502499191 /nfs/dbraw/zinc/49/91/91/502499191.db2.gz VVRKQBRBYLQDML-UHFFFAOYSA-N -1 3 369.352 3.146 20 0 FGADHM COc1ccccc1O[C@H](C)C[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000462614662 502508197 /nfs/dbraw/zinc/50/81/97/502508197.db2.gz KHBDRCQPHPLIMP-LLVKDONJSA-N -1 3 373.833 3.234 20 0 FGADHM CC(=O)CCCC(=O)N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1 ZINC000473137384 502525470 /nfs/dbraw/zinc/52/54/70/502525470.db2.gz DLMJXRDRPYUHOK-UHFFFAOYSA-N -1 3 368.206 3.098 20 0 FGADHM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2cccc(Cl)c2F)C12CCCC2 ZINC000462663441 502526548 /nfs/dbraw/zinc/52/65/48/502526548.db2.gz MXYNIFBUEMAIEY-KBPBESRZSA-N -1 3 361.866 3.495 20 0 FGADHM 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/nfs/dbraw/zinc/55/06/69/502550669.db2.gz WAYZRGYWFJOVPD-SNVBAGLBSA-N -1 3 361.797 3.364 20 0 FGADHM COc1cc(C(=O)Nc2cccc(Oc3cccnn3)c2)cc(OC)c1[O-] ZINC000487870561 502552645 /nfs/dbraw/zinc/55/26/45/502552645.db2.gz HWFIYOLLWVSYEX-UHFFFAOYSA-N -1 3 367.361 3.244 20 0 FGADHM Cc1c2ccccc2n(C)c1C[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000480404419 502558680 /nfs/dbraw/zinc/55/86/80/502558680.db2.gz XGDQNGGOXSMHHF-UHFFFAOYSA-N -1 3 368.380 3.383 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(-n3cnc(C)c3C)cc2)c1 ZINC000462771725 502564075 /nfs/dbraw/zinc/56/40/75/502564075.db2.gz GPPHOFGEWOLYEW-UHFFFAOYSA-N -1 3 364.405 3.405 20 0 FGADHM Cc1ccc([O-])c(CNc2ccccc2OCC(=O)Nc2cccnc2)n1 ZINC000466461699 502577094 /nfs/dbraw/zinc/57/70/94/502577094.db2.gz IOFOWNXUQWXOSF-UHFFFAOYSA-N -1 3 364.405 3.120 20 0 FGADHM CCOc1nc2cc(C(=O)NCc3ccccc3-n3ccnc3)ccc2[n-]1 ZINC000469885983 502584845 /nfs/dbraw/zinc/58/48/45/502584845.db2.gz XKYPMMCUGQETMU-UHFFFAOYSA-N -1 3 361.405 3.077 20 0 FGADHM CCOc1nc2ccc(C(=O)NCc3ccccc3-n3ccnc3)cc2[n-]1 ZINC000469885983 502584847 /nfs/dbraw/zinc/58/48/47/502584847.db2.gz XKYPMMCUGQETMU-UHFFFAOYSA-N -1 3 361.405 3.077 20 0 FGADHM CCOc1nc2cc(C(=O)N3CCc4c(cccc4OC)C3)ccc2[n-]1 ZINC000469891979 502586771 /nfs/dbraw/zinc/58/67/71/502586771.db2.gz WITBNVUYOVDTQD-UHFFFAOYSA-N -1 3 351.406 3.169 20 0 FGADHM CCOc1nc2ccc(C(=O)N3CCc4c(cccc4OC)C3)cc2[n-]1 ZINC000469891979 502586776 /nfs/dbraw/zinc/58/67/76/502586776.db2.gz WITBNVUYOVDTQD-UHFFFAOYSA-N -1 3 351.406 3.169 20 0 FGADHM CCC(C)(C)[C@H](NCc1cc(OC)c(OC)cc1Br)C(=O)[O-] ZINC000582606157 506322901 /nfs/dbraw/zinc/32/29/01/506322901.db2.gz BLHUHYJBCYJVOC-CQSZACIVSA-N -1 3 374.275 3.445 20 0 FGADHM CCOc1ccccc1[C@](N)(C(=O)Nc1cc(F)ccc1[O-])C(F)(F)F ZINC000484195499 502597894 /nfs/dbraw/zinc/59/78/94/502597894.db2.gz WKHDZZIROSBLGD-INIZCTEOSA-N -1 3 372.318 3.285 20 0 FGADHM C[C@]1(C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)CCO[C@H]1C1CC1 ZINC000466559152 502607493 /nfs/dbraw/zinc/60/74/93/502607493.db2.gz 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ZINC000481248609 502796316 /nfs/dbraw/zinc/79/63/16/502796316.db2.gz CWGCDVLADBDJPD-WFASDCNBSA-N -1 3 354.834 3.489 20 0 FGADHM O=C(Nc1cc(Cl)c(OCC(F)(F)F)c(Cl)c1)c1nc[n-]n1 ZINC000477544915 502803667 /nfs/dbraw/zinc/80/36/67/502803667.db2.gz XNIQWTDWITYFLN-UHFFFAOYSA-N -1 3 355.103 3.305 20 0 FGADHM Cc1cc2cccnc2c(NC(=O)c2ccc([N-]S(C)(=O)=O)cc2)c1 ZINC000509091964 502819486 /nfs/dbraw/zinc/81/94/86/502819486.db2.gz CPWQEFKOIALZQC-UHFFFAOYSA-N -1 3 355.419 3.167 20 0 FGADHM C[C@@H](CNC(=O)c1cccc([O-])c1)Oc1ccc(Br)cc1 ZINC000509105957 502822402 /nfs/dbraw/zinc/82/24/02/502822402.db2.gz HFRIIRGEBTVIFG-NSHDSACASA-N -1 3 350.212 3.352 20 0 FGADHM COC(=O)c1cc(C(=O)Nc2cc(F)c(Br)cc2C)c[n-]1 ZINC000500694109 502842060 /nfs/dbraw/zinc/84/20/60/502842060.db2.gz IMRYZTXHZBJWCM-UHFFFAOYSA-N -1 3 355.163 3.264 20 0 FGADHM COC(=O)c1ccc(C(=O)Nc2cc(F)c(Br)cc2C)[n-]1 ZINC000500697375 502842121 /nfs/dbraw/zinc/84/21/21/502842121.db2.gz VAZHYLIUBFSFKX-UHFFFAOYSA-N -1 3 355.163 3.264 20 0 FGADHM COC(=O)c1ccc(C(=O)Nc2cc(Br)c(F)cc2F)[n-]1 ZINC000505068361 502847816 /nfs/dbraw/zinc/84/78/16/502847816.db2.gz LHAMSZTWESIWNP-UHFFFAOYSA-N -1 3 359.126 3.094 20 0 FGADHM [O-]c1ccc(F)c(CNC[C@H]2CSCCN2Cc2ccccc2)c1F ZINC000513236207 502886716 /nfs/dbraw/zinc/88/67/16/502886716.db2.gz JORHBTNASDIURF-HNNXBMFYSA-N -1 3 364.461 3.378 20 0 FGADHM CCC[C@H](C(=O)N1CCN(C(=O)c2cccc([O-])c2)CC1)c1ccccc1 ZINC000513245917 502888587 /nfs/dbraw/zinc/88/85/87/502888587.db2.gz NKROWWDMUBBHQQ-FQEVSTJZSA-N -1 3 366.461 3.261 20 0 FGADHM CSc1cccc(S(=O)(=O)[N-]c2cc3c(cc2F)NC(=O)CC3)c1 ZINC000509385262 502889543 /nfs/dbraw/zinc/88/95/43/502889543.db2.gz HRPQGOOPXNWIJP-UHFFFAOYSA-N -1 3 366.439 3.233 20 0 FGADHM C[C@]1(C[N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)CCOC1 ZINC000509398207 502892070 /nfs/dbraw/zinc/89/20/70/502892070.db2.gz BGPLFSNQUFHKBY-GFCCVEGCSA-N -1 3 357.781 3.064 20 0 FGADHM CC[C@@H](C)[C@H](O)C[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000509428663 502900174 /nfs/dbraw/zinc/90/01/74/502900174.db2.gz 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502969570 /nfs/dbraw/zinc/96/95/70/502969570.db2.gz LJRVMVVNPRJDKQ-ZDUSSCGKSA-N -1 3 354.376 3.345 20 0 FGADHM CC(C)[C@H](CCc1ccccc1)C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000501257713 502969575 /nfs/dbraw/zinc/96/95/75/502969575.db2.gz LJRVMVVNPRJDKQ-ZDUSSCGKSA-N -1 3 354.376 3.345 20 0 FGADHM CC(C)[C@H](CCc1ccccc1)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000501257713 502969579 /nfs/dbraw/zinc/96/95/79/502969579.db2.gz LJRVMVVNPRJDKQ-ZDUSSCGKSA-N -1 3 354.376 3.345 20 0 FGADHM C[C@H](c1ccccc1)N1CC[C@@H]([N-]S(=O)(=O)c2cccc(F)c2F)C1 ZINC000509793760 502986885 /nfs/dbraw/zinc/98/68/85/502986885.db2.gz IXZUNOUXDIJVLG-UKRRQHHQSA-N -1 3 366.433 3.079 20 0 FGADHM Cc1nn(CC(C)C)c(C)c1CC(=O)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000497568376 502989967 /nfs/dbraw/zinc/98/99/67/502989967.db2.gz SYJYQOVZWFUWMY-UHFFFAOYSA-N -1 3 351.454 3.149 20 0 FGADHM O=C(Nc1cccc(C(=O)N=c2cc(-c3ccccc3)[n-][nH]2)c1)NC1CC1 ZINC000497582510 502993255 /nfs/dbraw/zinc/99/32/55/502993255.db2.gz NKJCMYIOIMGYSS-UHFFFAOYSA-N -1 3 361.405 3.035 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O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1ccc(SC2CC2)cc1 ZINC000542172481 504392899 /nfs/dbraw/zinc/39/28/99/504392899.db2.gz DJZHUYSDKXSDPR-UHFFFAOYSA-N -1 3 351.435 3.297 20 0 FGADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1ccc(SC2CC2)cc1 ZINC000542172481 504392902 /nfs/dbraw/zinc/39/29/02/504392902.db2.gz DJZHUYSDKXSDPR-UHFFFAOYSA-N -1 3 351.435 3.297 20 0 FGADHM COc1ccccc1-n1c(C)nnc1SCC(=O)Nc1ccccc1[O-] ZINC000535350983 504409483 /nfs/dbraw/zinc/40/94/83/504409483.db2.gz URUAISIPWNPJIL-UHFFFAOYSA-N -1 3 370.434 3.021 20 0 FGADHM Cc1ccc([O-])c(C(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCOCC2)c1 ZINC000520122981 504416434 /nfs/dbraw/zinc/41/64/34/504416434.db2.gz NUJAIYAPWNIHAS-SFHVURJKSA-N -1 3 374.868 3.157 20 0 FGADHM CC(C)CC1(C[N-]S(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)CC1 ZINC000531802986 504429337 /nfs/dbraw/zinc/42/93/37/504429337.db2.gz PEPVJEGTSFRDKV-UHFFFAOYSA-N -1 3 370.902 3.329 20 0 FGADHM O=C(Cc1ccc(Br)cc1[O-])N1CCC[C@@H]1c1ccccn1 ZINC000548401792 504431944 /nfs/dbraw/zinc/43/19/44/504431944.db2.gz 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ZINC000535543753 504465872 /nfs/dbraw/zinc/46/58/72/504465872.db2.gz XVKZAWFRVYKMFH-CYBMUJFWSA-N -1 3 367.776 3.085 20 0 FGADHM C[C@](O)(C[N-]S(=O)(=O)c1ccc(Cl)c2ccccc21)C(F)(F)F ZINC000535543771 504466522 /nfs/dbraw/zinc/46/65/22/504466522.db2.gz XVKZAWFRVYKMFH-ZDUSSCGKSA-N -1 3 367.776 3.085 20 0 FGADHM Cc1cc(C2CCN(C(=O)c3cc([O-])cc(Br)c3)CC2)[nH]n1 ZINC000528958800 504469213 /nfs/dbraw/zinc/46/92/13/504469213.db2.gz RFDOGMXPWIRQJV-UHFFFAOYSA-N -1 3 364.243 3.206 20 0 FGADHM Cc1cc(C2CCN(C(=O)c3cc([O-])cc(Br)c3)CC2)n[nH]1 ZINC000528958800 504469215 /nfs/dbraw/zinc/46/92/15/504469215.db2.gz RFDOGMXPWIRQJV-UHFFFAOYSA-N -1 3 364.243 3.206 20 0 FGADHM COc1ccc(CNCC2(O)CCCCCC2)c(Br)c1[O-] ZINC000545465220 504496258 /nfs/dbraw/zinc/49/62/58/504496258.db2.gz OYTUZRSWNVQLHW-UHFFFAOYSA-N -1 3 358.276 3.338 20 0 FGADHM C[C@]1(CNC(=O)c2cc([O-])cc(Br)c2)CCO[C@H]1C1CC1 ZINC000529048203 504508799 /nfs/dbraw/zinc/50/87/99/504508799.db2.gz BSOWEEHXVRBBLB-GOEBONIOSA-N -1 3 354.244 3.090 20 0 FGADHM C[C@@H](c1ccsc1)c1nc(-c2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)no1 ZINC000545527121 504516791 /nfs/dbraw/zinc/51/67/91/504516791.db2.gz GWLUMFXZIHTSIM-XTZNXHDOSA-N -1 3 368.418 3.005 20 0 FGADHM C[C@H](CC1CCCC1)c1nc(-c2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)no1 ZINC000545526925 504516884 /nfs/dbraw/zinc/51/68/84/504516884.db2.gz GZKCSKRDTPHKKZ-MPBGBICISA-N -1 3 368.437 3.475 20 0 FGADHM CCCCS(=O)(=O)[N-]Cc1nc(Cc2cccc3ccccc32)no1 ZINC000545607009 504540683 /nfs/dbraw/zinc/54/06/83/504540683.db2.gz RQKKZSHRQNPVOP-UHFFFAOYSA-N -1 3 359.451 3.033 20 0 FGADHM O=C(c1ccc2c(c1[O-])CCCC2)N1CCN(Cc2ccsc2)CC1 ZINC000542568180 504541847 /nfs/dbraw/zinc/54/18/47/504541847.db2.gz GYYZXZCSKLBZOS-UHFFFAOYSA-N -1 3 356.491 3.291 20 0 FGADHM CC(C)CC[C@@](C)(O)CNC(=O)Cc1ccc(Br)cc1[O-] ZINC000548732966 504544435 /nfs/dbraw/zinc/54/44/35/504544435.db2.gz TXWKRLWARIFIRC-MRXNPFEDSA-N -1 3 358.276 3.001 20 0 FGADHM CO[C@@H](c1ccccc1F)[C@H](C)[N-]S(=O)(=O)c1cc(C)c(F)cc1F ZINC000539384896 504550611 /nfs/dbraw/zinc/55/06/11/504550611.db2.gz NASKTKRMKZRUSY-APPDUMDISA-N -1 3 373.396 3.467 20 0 FGADHM CC(C)c1cccc(-n2cc([O-])c(C(=O)N(C)[C@H]3CCN(C4CC4)C3)n2)c1 ZINC000532149028 504550860 /nfs/dbraw/zinc/55/08/60/504550860.db2.gz GCCVAVODRPZGFS-SFHVURJKSA-N -1 3 368.481 3.010 20 0 FGADHM CO[C@H](c1ccccc1F)[C@H](C)[N-]S(=O)(=O)Cc1c(F)cccc1F ZINC000539386726 504551243 /nfs/dbraw/zinc/55/12/43/504551243.db2.gz RLKGNQMFEJIHJS-GTNSWQLSSA-N -1 3 373.396 3.300 20 0 FGADHM CC1CCC(c2noc(CCn3[n-]c(=O)c4ccccc4c3=O)n2)CC1 ZINC000545647125 504551912 /nfs/dbraw/zinc/55/19/12/504551912.db2.gz PJLBSZWZYPWARS-UHFFFAOYSA-N -1 3 354.410 3.022 20 0 FGADHM COc1cccc(-c2noc(SCC(=O)Nc3ccccc3[O-])n2)c1 ZINC000542619343 504556177 /nfs/dbraw/zinc/55/61/77/504556177.db2.gz UCLMTRMGMFRXPO-UHFFFAOYSA-N -1 3 357.391 3.182 20 0 FGADHM CC(C)C[C@@H](NC(=O)c1cc(F)cc2nn[n-]c21)c1nc2ccccc2[nH]1 ZINC000548786725 504567144 /nfs/dbraw/zinc/56/71/44/504567144.db2.gz FTZPEIOQMDOZJO-MRXNPFEDSA-N -1 3 366.400 3.491 20 0 FGADHM CC(C)C[C@@H](NC(=O)c1cc(F)cc2[n-]nnc21)c1nc2ccccc2[nH]1 ZINC000548786725 504567147 /nfs/dbraw/zinc/56/71/47/504567147.db2.gz FTZPEIOQMDOZJO-MRXNPFEDSA-N -1 3 366.400 3.491 20 0 FGADHM CC(C)C[C@@H](NC(=O)c1cc(F)cc2n[n-]nc21)c1nc2ccccc2[nH]1 ZINC000548786725 504567150 /nfs/dbraw/zinc/56/71/50/504567150.db2.gz FTZPEIOQMDOZJO-MRXNPFEDSA-N -1 3 366.400 3.491 20 0 FGADHM CC[C@H](NCC1=Nc2ccccc2S(=O)(=O)[N-]1)C(C)(C)c1ccccc1 ZINC000539426019 504567784 /nfs/dbraw/zinc/56/77/84/504567784.db2.gz BGYOJBVNIRPMCJ-SFHVURJKSA-N -1 3 371.506 3.355 20 0 FGADHM O=S(=O)([N-]C[C@H]1CCN(c2ccccc2)C1)c1cc(F)cc(Cl)c1 ZINC000535913843 504581756 /nfs/dbraw/zinc/58/17/56/504581756.db2.gz HSCKFEOHBCKUAU-CYBMUJFWSA-N -1 3 368.861 3.284 20 0 FGADHM Cn1ccnc1[C@H](NC(=O)Cc1ccc([O-])cc1Cl)c1ccccc1 ZINC000532274752 504594773 /nfs/dbraw/zinc/59/47/73/504594773.db2.gz HVCHJGZOVFUJGQ-GOSISDBHSA-N -1 3 355.825 3.227 20 0 FGADHM COc1cc(C)c(S(=O)(=O)[N-][C@H](C(C)(C)C)C(F)(F)F)cc1OC ZINC000542756625 504597130 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C[C@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)c1cc(F)cc2n[n-]nc21 ZINC000548870545 504599330 /nfs/dbraw/zinc/59/93/30/504599330.db2.gz SYFCGCQBTFYPFC-MGPLVRAMSA-N -1 3 374.803 3.353 20 0 FGADHM CCc1ccc(S(=O)(=O)[N-]c2ccc(-n3cncn3)c(F)c2)cc1CC ZINC000535991489 504601112 /nfs/dbraw/zinc/60/11/12/504601112.db2.gz DSXKSIWUQDCNEO-UHFFFAOYSA-N -1 3 374.441 3.332 20 0 FGADHM CO[C@H](c1noc(Cc2c(C)nc(C)[n-]c2=O)n1)c1ccccc1Cl ZINC000545810396 504602703 /nfs/dbraw/zinc/60/27/03/504602703.db2.gz OLSJKLZCSHTJHW-HNNXBMFYSA-N -1 3 360.801 3.162 20 0 FGADHM C[C@@H]1CC[C@@H](C(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)C1 ZINC000539561105 504608564 /nfs/dbraw/zinc/60/85/64/504608564.db2.gz YQWZWUSWUQDLDO-VXGBXAGGSA-N -1 3 356.463 3.277 20 0 FGADHM COCCOc1ccc(-c2noc(-c3cc(-c4ccc(C)o4)[n-]n3)n2)cn1 ZINC000545852967 504616275 /nfs/dbraw/zinc/61/62/75/504616275.db2.gz SOWPCDCPDWIPPH-UHFFFAOYSA-N -1 3 367.365 3.115 20 0 FGADHM COCCOc1ccc(-c2noc(-c3cc(-c4ccc(C)o4)n[n-]3)n2)cn1 ZINC000545852967 504616276 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Cc1[n-][nH]c(=NC(=O)[C@@H]2CCCCS2)c1-c1ccc2c(c1)OCCO2 ZINC000541238838 516944814 /nfs/dbraw/zinc/94/48/14/516944814.db2.gz XTLMHLGSURBRLZ-HNNXBMFYSA-N -1 3 359.451 3.381 20 0 FGADHM CC(C)c1nc(C2CCN(C(=O)N=c3cc4ccccn4[n-]3)CC2)no1 ZINC000515210721 517255175 /nfs/dbraw/zinc/25/51/75/517255175.db2.gz NUWNUGISFKERSW-UHFFFAOYSA-N -1 3 354.414 3.252 20 0 FGADHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)c1cccc(OCc2cccnc2)c1 ZINC000525967621 517263717 /nfs/dbraw/zinc/26/37/17/517263717.db2.gz VYBCDHWRCFVPOU-GOSISDBHSA-N -1 3 364.405 3.488 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)c2ccn(C(C)C)n2)c1-c1ccc2c(c1)OCCO2 ZINC000533403213 517446490 /nfs/dbraw/zinc/44/64/90/517446490.db2.gz NVZFMUCHTCFBJZ-UHFFFAOYSA-N -1 3 367.409 3.186 20 0 FGADHM CC1CCC(N2C[C@H](C(=O)N=c3cc(-c4ccccc4)[n-][nH]3)CC2=O)CC1 ZINC000520919655 517551915 /nfs/dbraw/zinc/55/19/15/517551915.db2.gz WMBWVSLQOWGNDZ-ARWYELJZSA-N -1 3 366.465 3.442 20 0 FGADHM Cc1cc(C(=O)N=c2cc(-c3ccncc3)[n-][nH]2)c(C)n1[C@@H]1CCOC1 ZINC000530262404 517664667 /nfs/dbraw/zinc/66/46/67/517664667.db2.gz PVXSOLTVNGYJDN-OAHLLOKOSA-N -1 3 351.410 3.104 20 0 FGADHM COC(C)(C)c1nc(C)c(C(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)s1 ZINC000516822426 517856788 /nfs/dbraw/zinc/85/67/88/517856788.db2.gz RPYBBEVWAMZLGT-LLVKDONJSA-N -1 3 350.444 3.160 20 0 FGADHM Cc1cn(C2CCCCC2)nc1NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000517068598 518009783 /nfs/dbraw/zinc/00/97/83/518009783.db2.gz KJLOUXHMSGCGMZ-UHFFFAOYSA-N -1 3 367.409 3.224 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@H](C)NC(=O)c2ccco2)c1-c1cccc(Cl)c1 ZINC000608470139 519992315 /nfs/dbraw/zinc/99/23/15/519992315.db2.gz KXPRILOYRIZVRF-NSHDSACASA-N -1 3 372.812 3.389 20 0 FGADHM Cc1cc(C)cc(-c2cc(=NC(=O)[C@@H]3CCCN3C(=O)C(C)C)[nH][n-]2)c1 ZINC000616445213 520019970 /nfs/dbraw/zinc/01/99/70/520019970.db2.gz NNQURVUSYWVPRI-KRWDZBQOSA-N -1 3 354.454 3.279 20 0 FGADHM CCS[C@@H]1CC[C@H](N(C)C(=O)N=c2[n-]n(C)cc2Br)C1 ZINC000603042385 520043287 /nfs/dbraw/zinc/04/32/87/520043287.db2.gz GWLZZPFLBRCBQR-VHSXEESVSA-N -1 3 361.309 3.321 20 0 FGADHM COc1ccc2c(c1)c(C(=O)N=c1cc([C@H]3CCCO3)[n-][nH]1)c(C)n2C ZINC000616823461 520163143 /nfs/dbraw/zinc/16/31/43/520163143.db2.gz OBMHFYXGZLMXCR-MRXNPFEDSA-N -1 3 354.410 3.322 20 0 FGADHM COc1ccc(SC)c(OC)c1C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000616825618 520163869 /nfs/dbraw/zinc/16/38/69/520163869.db2.gz ZVEYEAFAFMEMCR-LLVKDONJSA-N -1 3 363.439 3.253 20 0 FGADHM O=C(CCOc1ccc(F)cc1Cl)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000616826583 520165304 /nfs/dbraw/zinc/16/53/04/520165304.db2.gz PMWQTJYLIAIGGV-CQSZACIVSA-N -1 3 353.781 3.461 20 0 FGADHM O=C(Cc1ccc(Br)s1)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000616825908 520165410 /nfs/dbraw/zinc/16/54/10/520165410.db2.gz DKPWMYOOWAPYBD-JTQLQIEISA-N -1 3 356.245 3.266 20 0 FGADHM Cc1cc(C)c(-c2cc(=NC(=O)CCNC(=O)c3ccco3)[nH][n-]2)cc1C ZINC000617355889 520451656 /nfs/dbraw/zinc/45/16/56/520451656.db2.gz JCZLGYPKYGUTNV-UHFFFAOYSA-N -1 3 366.421 3.354 20 0 FGADHM Cc1cc(C)cc(-c2cc(=NC(=O)c3ccnc(N4CCCC4)n3)[nH][n-]2)c1 ZINC000606930825 521207638 /nfs/dbraw/zinc/20/76/38/521207638.db2.gz FQXHOUDZULKMBX-UHFFFAOYSA-N -1 3 362.437 3.336 20 0 FGADHM Cc1sc(=O)n(CC(=O)N=c2cc(-c3cccc(Cl)c3)[n-][nH]2)c1C ZINC000622891368 523531707 /nfs/dbraw/zinc/53/17/07/523531707.db2.gz VUTHOIHLCYXUMW-UHFFFAOYSA-N -1 3 362.842 3.209 20 0 FGADHM C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)c1csc(=NC2CC2)[n-]1 ZINC000478281182 561163551 /nfs/dbraw/zinc/16/35/51/561163551.db2.gz NFXMYZHCWWVASG-CQSZACIVSA-N -1 3 356.495 3.064 20 0 FGADHM CCC(CC)(CO)CNC(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482068657 561247979 /nfs/dbraw/zinc/24/79/79/561247979.db2.gz AKLHZAMJHLLJRO-UHFFFAOYSA-N -1 3 369.263 3.017 20 0 FGADHM COc1cccc(Cl)c1CNC(=O)N=c1cc(OC(F)F)n(C)[n-]1 ZINC000484791201 561306164 /nfs/dbraw/zinc/30/61/64/561306164.db2.gz WRQKPKVVWWHZDB-UHFFFAOYSA-N -1 3 360.748 3.005 20 0 FGADHM Cn1[n-]c(=NC(=O)c2ccc(N3CCCCCC3)nc2)cc1OC(F)F ZINC000490977148 561441208 /nfs/dbraw/zinc/44/12/08/561441208.db2.gz TVGZHPRVGCNZEI-UHFFFAOYSA-N -1 3 365.384 3.049 20 0 FGADHM CCCc1c(C(=O)N=c2cc(OC(F)F)n(C)[n-]2)[nH]c(C)c1C(C)=O ZINC000491079946 561442687 /nfs/dbraw/zinc/44/26/87/561442687.db2.gz RPSNMKYNZITDLJ-UHFFFAOYSA-N -1 3 354.357 3.065 20 0 FGADHM CCN=c1[n-]c(C(=O)N[C@@H]2CCN(C)[C@H]2c2ccc(F)c(F)c2)cs1 ZINC000497893237 561510827 /nfs/dbraw/zinc/51/08/27/561510827.db2.gz PVMGUKYIOXFZNA-HIFRSBDPSA-N -1 3 366.437 3.028 20 0 FGADHM Cn1cc(-c2ccc(F)c(C(=O)N=c3cc([C@@H]4CCCO4)[n-][nH]3)c2)cn1 ZINC000527209795 562280584 /nfs/dbraw/zinc/28/05/84/562280584.db2.gz BXYYETJDIXEZDB-INIZCTEOSA-N -1 3 355.373 3.053 20 0 FGADHM CC(C)(C)c1nnc2ccc(C(=O)N=c3cc(-c4cccnc4)[n-][nH]3)cn21 ZINC000470584888 560985110 /nfs/dbraw/zinc/98/51/10/560985110.db2.gz UNAQRUJIWNICIL-UHFFFAOYSA-N -1 3 361.409 3.064 20 0 FGADHM CCCCOc1ccccc1NC(=O)C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000472966991 561038961 /nfs/dbraw/zinc/03/89/61/561038961.db2.gz KNPGIKONVVPBSL-MRXNPFEDSA-N -1 3 372.425 3.017 20 0 FGADHM CC(C)NC(=O)Nc1cccc(C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)c1 ZINC000473855754 561059299 /nfs/dbraw/zinc/05/92/99/561059299.db2.gz JRODWLNFXLUUEV-HNNXBMFYSA-N -1 3 357.414 3.043 20 0 FGADHM COc1cc(=NC(=O)[C@@H]2C[C@H]2c2ccc(OC(F)(F)F)cc2)[n-]n1C ZINC000530485136 562413230 /nfs/dbraw/zinc/41/32/30/562413230.db2.gz DQCDNZXNJOJCLW-NWDGAFQWSA-N -1 3 355.316 3.070 20 0 FGADHM COc1cccc([C@@H](CNC(=O)N=c2cc(C)c(C)n[n-]2)N2CCCC2)c1 ZINC000531560209 562449932 /nfs/dbraw/zinc/44/99/32/562449932.db2.gz UBVFSGHZRXUFGL-GOSISDBHSA-N -1 3 369.469 3.061 20 0 FGADHM CN1CC[C@H](N=c2ccc(C(=O)NC3CCCC3)n[n-]2)[C@H]1c1ccccc1 ZINC000535358143 562556703 /nfs/dbraw/zinc/55/67/03/562556703.db2.gz HVHSPIVIEYUAOK-FXAWDEMLSA-N -1 3 365.481 3.006 20 0 FGADHM Cc1ccccc1-c1cc(=NC(=O)c2cnc3c(c2)NC(=O)CS3)[nH][n-]1 ZINC000537118962 562585752 /nfs/dbraw/zinc/58/57/52/562585752.db2.gz NISRDCOACFMHDC-UHFFFAOYSA-N -1 3 365.418 3.077 20 0 FGADHM CC[C@@H](CCO)C[N-]S(=O)(=O)c1c(C)c(Cl)cc(C)c1Cl ZINC000094960365 568233048 /nfs/dbraw/zinc/23/30/48/568233048.db2.gz AAAVMZFQSWHVLI-NSHDSACASA-N -1 3 354.299 3.297 20 0 FGADHM Cc1cn2ccnc(C(=O)[N-]c3nnc(-c4ccc(Cl)cc4)s3)c2n1 ZINC000431896901 568395549 /nfs/dbraw/zinc/39/55/49/568395549.db2.gz VDHTTWJPLIQTDB-UHFFFAOYSA-N -1 3 370.825 3.462 20 0 FGADHM CCc1cc(C(=O)N(CCN(C)C)CC(=O)[O-])sc1-c1ccccc1 ZINC000655533121 568477009 /nfs/dbraw/zinc/47/70/09/568477009.db2.gz QNJAUDBBHZPIPE-UHFFFAOYSA-N -1 3 360.479 3.066 20 0 FGADHM CN(CCc1ccc(Cl)cc1)C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000736803856 598823372 /nfs/dbraw/zinc/82/33/72/598823372.db2.gz BULDQRLWNXDPLH-FLIBITNWSA-N -1 3 367.840 3.234 20 0 FGADHM CN(CCc1ccc(Cl)cc1)C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000736803856 598823373 /nfs/dbraw/zinc/82/33/73/598823373.db2.gz BULDQRLWNXDPLH-FLIBITNWSA-N -1 3 367.840 3.234 20 0 FGADHM CCO[C@@H](CC)C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000736613914 598835478 /nfs/dbraw/zinc/83/54/78/598835478.db2.gz GRQPLBZKYXSTMH-AWEZNQCLSA-N -1 3 371.466 3.027 20 0 FGADHM Cc1nn(-c2ccc(-c3nn[n-]n3)cc2)c(NC(=O)c2cccc(C)c2)c1C ZINC000737385369 598841591 /nfs/dbraw/zinc/84/15/91/598841591.db2.gz RTJQNRZQCQMUCE-UHFFFAOYSA-N -1 3 373.420 3.230 20 0 FGADHM O=C(OCc1cc(-c2nnn[n-]2)ccc1F)c1cc(Cl)nc(Cl)c1 ZINC000738236467 598847238 /nfs/dbraw/zinc/84/72/38/598847238.db2.gz JJVFPQSFUAQAML-UHFFFAOYSA-N -1 3 368.155 3.065 20 0 FGADHM O=C(OCc1cc(-c2nn[n-]n2)ccc1F)c1cc(Cl)nc(Cl)c1 ZINC000738236467 598847239 /nfs/dbraw/zinc/84/72/39/598847239.db2.gz JJVFPQSFUAQAML-UHFFFAOYSA-N -1 3 368.155 3.065 20 0 FGADHM C[C@@H](NC(=O)c1sccc1-c1nnn[n-]1)c1ncc(-c2ccccc2)o1 ZINC000736123777 598848022 /nfs/dbraw/zinc/84/80/22/598848022.db2.gz DAHVBIQGACPMGR-SNVBAGLBSA-N -1 3 366.406 3.074 20 0 FGADHM C[C@@H](NC(=O)c1sccc1-c1nn[n-]n1)c1ncc(-c2ccccc2)o1 ZINC000736123777 598848024 /nfs/dbraw/zinc/84/80/24/598848024.db2.gz DAHVBIQGACPMGR-SNVBAGLBSA-N -1 3 366.406 3.074 20 0 FGADHM CCOc1ccccc1NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OCC ZINC000736654553 598850660 /nfs/dbraw/zinc/85/06/60/598850660.db2.gz GLEUDDQTPCETAZ-UHFFFAOYSA-N -1 3 368.397 3.308 20 0 FGADHM CCOc1ccccc1NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OCC ZINC000736654553 598850661 /nfs/dbraw/zinc/85/06/61/598850661.db2.gz GLEUDDQTPCETAZ-UHFFFAOYSA-N -1 3 368.397 3.308 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)Nc1ccccc1OC(C)C ZINC000737062790 598851312 /nfs/dbraw/zinc/85/13/12/598851312.db2.gz OLVUUHGEEHAYFK-UHFFFAOYSA-N -1 3 368.397 3.307 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)Nc1ccccc1OC(C)C ZINC000737062790 598851314 /nfs/dbraw/zinc/85/13/14/598851314.db2.gz OLVUUHGEEHAYFK-UHFFFAOYSA-N -1 3 368.397 3.307 20 0 FGADHM Cc1ccccc1NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000737433751 598852644 /nfs/dbraw/zinc/85/26/44/598852644.db2.gz BYQWXQYYUNLIEZ-UHFFFAOYSA-N -1 3 360.324 3.421 20 0 FGADHM Cc1ccccc1NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000737433751 598852646 /nfs/dbraw/zinc/85/26/46/598852646.db2.gz BYQWXQYYUNLIEZ-UHFFFAOYSA-N -1 3 360.324 3.421 20 0 FGADHM C[C@@H]1CC[C@@H](NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)[C@@H](C)C1 ZINC000736239089 598854255 /nfs/dbraw/zinc/85/42/55/598854255.db2.gz GAERSHHPBRFWCS-QWQRMKEZSA-N -1 3 368.485 3.365 20 0 FGADHM C[C@@H]1CC[C@@H](NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)[C@@H](C)C1 ZINC000736239089 598854256 /nfs/dbraw/zinc/85/42/56/598854256.db2.gz GAERSHHPBRFWCS-QWQRMKEZSA-N -1 3 368.485 3.365 20 0 FGADHM C[C@](O)(CNc1ccc(-c2nn[n-]n2)cc1C(F)(F)F)c1cccs1 ZINC000736142907 598857775 /nfs/dbraw/zinc/85/77/75/598857775.db2.gz PZWYTSADJDDBGG-AWEZNQCLSA-N -1 3 369.372 3.267 20 0 FGADHM C[C@@H](NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)C1CCCC1 ZINC000736104037 598865608 /nfs/dbraw/zinc/86/56/08/598865608.db2.gz YRYCYWRQNXBOES-CQSZACIVSA-N -1 3 357.458 3.111 20 0 FGADHM C[C@@H](NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)C1CCCC1 ZINC000736104037 598865610 /nfs/dbraw/zinc/86/56/10/598865610.db2.gz YRYCYWRQNXBOES-CQSZACIVSA-N -1 3 357.458 3.111 20 0 FGADHM Fc1cc(-c2nnn[n-]2)cc(F)c1N[C@H](c1ccccc1)[C@H]1CCCO1 ZINC000737640469 598870533 /nfs/dbraw/zinc/87/05/33/598870533.db2.gz YHDFIIQOGOFCIS-HZPDHXFCSA-N -1 3 357.364 3.477 20 0 FGADHM Fc1cc(-c2nn[n-]n2)cc(F)c1N[C@H](c1ccccc1)[C@H]1CCCO1 ZINC000737640469 598870534 /nfs/dbraw/zinc/87/05/34/598870534.db2.gz YHDFIIQOGOFCIS-HZPDHXFCSA-N -1 3 357.364 3.477 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N(CCc1cccc(F)c1)C1CC1 ZINC000738152658 598877741 /nfs/dbraw/zinc/87/77/41/598877741.db2.gz WLXBDNULOTUBTR-UHFFFAOYSA-N -1 3 366.400 3.245 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N(CCc1cccc(F)c1)C1CC1 ZINC000738152658 598877743 /nfs/dbraw/zinc/87/77/43/598877743.db2.gz WLXBDNULOTUBTR-UHFFFAOYSA-N -1 3 366.400 3.245 20 0 FGADHM C[C@@H](NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1)C1CCCC1 ZINC000736111660 598879159 /nfs/dbraw/zinc/87/91/59/598879159.db2.gz NGCJFRLRCRABDH-CYBMUJFWSA-N -1 3 354.458 3.119 20 0 FGADHM C[C@@H](NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1)C1CCCC1 ZINC000736111660 598879160 /nfs/dbraw/zinc/87/91/60/598879160.db2.gz NGCJFRLRCRABDH-CYBMUJFWSA-N -1 3 354.458 3.119 20 0 FGADHM Cc1oc(C)c(C(=O)O[C@@H](C)COc2cccc(-c3nnn[n-]3)c2)c1C ZINC000737546569 598883986 /nfs/dbraw/zinc/88/39/86/598883986.db2.gz DFQMJFNJIIKYQB-JTQLQIEISA-N -1 3 356.382 3.009 20 0 FGADHM Cc1oc(C)c(C(=O)O[C@@H](C)COc2cccc(-c3nn[n-]n3)c2)c1C ZINC000737546569 598883987 /nfs/dbraw/zinc/88/39/87/598883987.db2.gz DFQMJFNJIIKYQB-JTQLQIEISA-N -1 3 356.382 3.009 20 0 FGADHM COC(=O)[C@H](N[C@H](C)CCC1CCCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736892609 598885871 /nfs/dbraw/zinc/88/58/71/598885871.db2.gz ATVHAAGXFDLQFW-RDTXWAMCSA-N -1 3 371.485 3.419 20 0 FGADHM COC(=O)[C@H](N[C@H](C)CCC1CCCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736892609 598885872 /nfs/dbraw/zinc/88/58/72/598885872.db2.gz ATVHAAGXFDLQFW-RDTXWAMCSA-N -1 3 371.485 3.419 20 0 FGADHM Cc1noc([C@@H](C)Sc2nc(-c3ccccc3)ccc2-c2nnn[n-]2)n1 ZINC000737535991 598901136 /nfs/dbraw/zinc/90/11/36/598901136.db2.gz CLODLPRYPMIOPP-SNVBAGLBSA-N -1 3 365.422 3.473 20 0 FGADHM Cc1noc([C@@H](C)Sc2nc(-c3ccccc3)ccc2-c2nn[n-]n2)n1 ZINC000737535991 598901139 /nfs/dbraw/zinc/90/11/39/598901139.db2.gz CLODLPRYPMIOPP-SNVBAGLBSA-N -1 3 365.422 3.473 20 0 FGADHM C[C@H]1CCCCCN1C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736265888 598907534 /nfs/dbraw/zinc/90/75/34/598907534.db2.gz DTJOVMSQLYVCTJ-HNNXBMFYSA-N -1 3 357.458 3.207 20 0 FGADHM C[C@H]1CCCCCN1C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736265888 598907535 /nfs/dbraw/zinc/90/75/35/598907535.db2.gz DTJOVMSQLYVCTJ-HNNXBMFYSA-N -1 3 357.458 3.207 20 0 FGADHM C[C@H]1CCCC[C@H]1CCNC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000736258883 598906736 /nfs/dbraw/zinc/90/67/36/598906736.db2.gz CCKAFPIGOSVNNR-HOCLYGCPSA-N -1 3 373.526 3.433 20 0 FGADHM C[C@H]1CCCC[C@H]1CCNC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000736258883 598906738 /nfs/dbraw/zinc/90/67/38/598906738.db2.gz CCKAFPIGOSVNNR-HOCLYGCPSA-N -1 3 373.526 3.433 20 0 FGADHM C[C@H](NC(=O)NCC(C)(C)c1cccs1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736119541 598920337 /nfs/dbraw/zinc/92/03/37/598920337.db2.gz SHRRKVMWFRNBIB-LBPRGKRZSA-N -1 3 370.482 3.266 20 0 FGADHM C[C@H](NC(=O)NCC(C)(C)c1cccs1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736119541 598920339 /nfs/dbraw/zinc/92/03/39/598920339.db2.gz SHRRKVMWFRNBIB-LBPRGKRZSA-N -1 3 370.482 3.266 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)NCC(C)(C)c1cccs1 ZINC000737064170 598923589 /nfs/dbraw/zinc/92/35/89/598923589.db2.gz VHMQEWQQKGYQTJ-UHFFFAOYSA-N -1 3 372.454 3.036 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)NCC(C)(C)c1cccs1 ZINC000737064170 598923591 /nfs/dbraw/zinc/92/35/91/598923591.db2.gz VHMQEWQQKGYQTJ-UHFFFAOYSA-N -1 3 372.454 3.036 20 0 FGADHM O=C(Nc1ccc(Nc2ncc(-c3nnn[n-]3)cc2Cl)cc1)C1CC1 ZINC000738172376 598937045 /nfs/dbraw/zinc/93/70/45/598937045.db2.gz IEZVFZZWJRJMET-UHFFFAOYSA-N -1 3 355.789 3.007 20 0 FGADHM O=C(Nc1ccc(Nc2ncc(-c3nn[n-]n3)cc2Cl)cc1)C1CC1 ZINC000738172376 598937046 /nfs/dbraw/zinc/93/70/46/598937046.db2.gz IEZVFZZWJRJMET-UHFFFAOYSA-N -1 3 355.789 3.007 20 0 FGADHM C[C@@H](c1c(F)cccc1F)N(C)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000736198803 598938288 /nfs/dbraw/zinc/93/82/88/598938288.db2.gz UVORYBSEORWZOB-QMMMGPOBSA-N -1 3 350.760 3.391 20 0 FGADHM C[C@@H](c1c(F)cccc1F)N(C)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000736198803 598938289 /nfs/dbraw/zinc/93/82/89/598938289.db2.gz UVORYBSEORWZOB-QMMMGPOBSA-N -1 3 350.760 3.391 20 0 FGADHM CC(C)COC[C@@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)c1ccco1 ZINC000735838467 598939076 /nfs/dbraw/zinc/93/90/76/598939076.db2.gz QJXNWYBYOVMTEE-CYBMUJFWSA-N -1 3 362.821 3.334 20 0 FGADHM CC(C)COC[C@@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)c1ccco1 ZINC000735838467 598939077 /nfs/dbraw/zinc/93/90/77/598939077.db2.gz QJXNWYBYOVMTEE-CYBMUJFWSA-N -1 3 362.821 3.334 20 0 FGADHM COc1ccccc1C[C@@H]1CCCN1c1ncc(-c2nnn[n-]2)cc1Cl ZINC000737154070 598940064 /nfs/dbraw/zinc/94/00/64/598940064.db2.gz XNXSRFRNMFJDTA-AWEZNQCLSA-N -1 3 370.844 3.135 20 0 FGADHM COc1ccccc1C[C@@H]1CCCN1c1ncc(-c2nn[n-]n2)cc1Cl ZINC000737154070 598940066 /nfs/dbraw/zinc/94/00/66/598940066.db2.gz XNXSRFRNMFJDTA-AWEZNQCLSA-N -1 3 370.844 3.135 20 0 FGADHM Cc1nc2c(s1)[C@@H](N(C)c1ncc(-c3nnn[n-]3)cc1Cl)CCC2 ZINC000737489109 598943246 /nfs/dbraw/zinc/94/32/46/598943246.db2.gz VZFGOEATCWEKIO-LBPRGKRZSA-N -1 3 361.862 3.194 20 0 FGADHM Cc1nc2c(s1)[C@@H](N(C)c1ncc(-c3nn[n-]n3)cc1Cl)CCC2 ZINC000737489109 598943247 /nfs/dbraw/zinc/94/32/47/598943247.db2.gz VZFGOEATCWEKIO-LBPRGKRZSA-N -1 3 361.862 3.194 20 0 FGADHM CCCCN(c1ccccc1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000736455510 598946533 /nfs/dbraw/zinc/94/65/33/598946533.db2.gz AGAAVAXCQAPDHZ-UHFFFAOYSA-N -1 3 371.466 3.171 20 0 FGADHM CCCCN(c1ccccc1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000736455510 598946534 /nfs/dbraw/zinc/94/65/34/598946534.db2.gz AGAAVAXCQAPDHZ-UHFFFAOYSA-N -1 3 371.466 3.171 20 0 FGADHM CCOC(=O)[C@H](C)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736586623 598960676 /nfs/dbraw/zinc/96/06/76/598960676.db2.gz ONVYUQBNDQBNNQ-LBPRGKRZSA-N -1 3 353.382 3.023 20 0 FGADHM CCOC(=O)[C@H](C)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736586623 598960678 /nfs/dbraw/zinc/96/06/78/598960678.db2.gz ONVYUQBNDQBNNQ-LBPRGKRZSA-N -1 3 353.382 3.023 20 0 FGADHM C[C@@H](NC(=O)Nc1cccc(-c2nnn[n-]2)c1)c1nc2ccccc2s1 ZINC000736117522 598962551 /nfs/dbraw/zinc/96/25/51/598962551.db2.gz PUJWYNLDDWEXBO-SNVBAGLBSA-N -1 3 365.422 3.359 20 0 FGADHM C[C@@H](NC(=O)Nc1cccc(-c2nn[n-]n2)c1)c1nc2ccccc2s1 ZINC000736117522 598962552 /nfs/dbraw/zinc/96/25/52/598962552.db2.gz PUJWYNLDDWEXBO-SNVBAGLBSA-N -1 3 365.422 3.359 20 0 FGADHM c1cc(COc2ccc(NC[C@H]3CCCOC3)cc2)cc(-c2nnn[n-]2)c1 ZINC000823751428 607256031 /nfs/dbraw/zinc/25/60/31/607256031.db2.gz JPEYSUGABMHCEI-MRXNPFEDSA-N -1 3 365.437 3.284 20 0 FGADHM c1cc(COc2ccc(NC[C@H]3CCCOC3)cc2)cc(-c2nn[n-]n2)c1 ZINC000823751428 607256032 /nfs/dbraw/zinc/25/60/32/607256032.db2.gz JPEYSUGABMHCEI-MRXNPFEDSA-N -1 3 365.437 3.284 20 0 FGADHM Cc1nnc(N[C@@H]2C[C@H]2c2c(F)cccc2Cl)c(-c2nnn[n-]2)c1C ZINC000737521569 598972100 /nfs/dbraw/zinc/97/21/00/598972100.db2.gz PUZXZDHBXJOGTN-BXKDBHETSA-N -1 3 359.796 3.034 20 0 FGADHM Cc1nnc(N[C@@H]2C[C@H]2c2c(F)cccc2Cl)c(-c2nn[n-]n2)c1C ZINC000737521569 598972102 /nfs/dbraw/zinc/97/21/02/598972102.db2.gz PUZXZDHBXJOGTN-BXKDBHETSA-N -1 3 359.796 3.034 20 0 FGADHM O[C@H](CNc1cccc(F)c1-c1nnn[n-]1)c1c(Cl)cccc1Cl ZINC000738385795 598977030 /nfs/dbraw/zinc/97/70/30/598977030.db2.gz YJAHYFRQPDQINL-GFCCVEGCSA-N -1 3 368.199 3.458 20 0 FGADHM O[C@H](CNc1cccc(F)c1-c1nn[n-]n1)c1c(Cl)cccc1Cl ZINC000738385795 598977032 /nfs/dbraw/zinc/97/70/32/598977032.db2.gz YJAHYFRQPDQINL-GFCCVEGCSA-N -1 3 368.199 3.458 20 0 FGADHM FC(F)(F)CCNc1ccccc1Oc1ncccc1-c1nnn[n-]1 ZINC000737627190 598979645 /nfs/dbraw/zinc/97/96/45/598979645.db2.gz MHIYWGWEFVFIDH-UHFFFAOYSA-N -1 3 350.304 3.418 20 0 FGADHM c1ccc(OCC2CC2)c(NCCOc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738434238 598981975 /nfs/dbraw/zinc/98/19/75/598981975.db2.gz ARWDSNACWKKTTN-UHFFFAOYSA-N -1 3 351.410 3.146 20 0 FGADHM CCCCN(C)C(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736452251 598988108 /nfs/dbraw/zinc/98/81/08/598988108.db2.gz DCTAMIXFXUPYTI-UHFFFAOYSA-N -1 3 365.437 3.318 20 0 FGADHM CC[C@@H](C)N(C)C(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736323277 598989324 /nfs/dbraw/zinc/98/93/24/598989324.db2.gz WIFHSKWWFYYHQU-CQSZACIVSA-N -1 3 365.437 3.316 20 0 FGADHM CCCc1noc(-c2cccc(COc3cccc(-c4nnn[n-]4)c3)c2)n1 ZINC000736500779 599009511 /nfs/dbraw/zinc/00/95/11/599009511.db2.gz SYYLGQYQGVTSPQ-UHFFFAOYSA-N -1 3 362.393 3.448 20 0 FGADHM CCCc1noc(-c2cccc(COc3cccc(-c4nn[n-]n4)c3)c2)n1 ZINC000736500779 599009512 /nfs/dbraw/zinc/00/95/12/599009512.db2.gz SYYLGQYQGVTSPQ-UHFFFAOYSA-N -1 3 362.393 3.448 20 0 FGADHM NC(=O)[C@@H](S[C@H]1CCCc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000737743040 599013024 /nfs/dbraw/zinc/01/30/24/599013024.db2.gz SLHNTNSMZJNMBE-IRXDYDNUSA-N -1 3 365.462 3.204 20 0 FGADHM NC(=O)[C@@H](S[C@H]1CCCc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000737743040 599013026 /nfs/dbraw/zinc/01/30/26/599013026.db2.gz SLHNTNSMZJNMBE-IRXDYDNUSA-N -1 3 365.462 3.204 20 0 FGADHM O=C(Nc1ccccn1)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738195206 599021484 /nfs/dbraw/zinc/02/14/84/599021484.db2.gz JEFGWTPPTVIMON-UHFFFAOYSA-N -1 3 372.388 3.093 20 0 FGADHM CN(c1nc(C(F)(F)F)ccc1-c1nnn[n-]1)[C@@H]1CCc2ccccc21 ZINC000736843248 599040664 /nfs/dbraw/zinc/04/06/64/599040664.db2.gz IQEUILYPOKOOPB-CYBMUJFWSA-N -1 3 360.343 3.404 20 0 FGADHM CN(c1nc(C(F)(F)F)ccc1-c1nn[n-]n1)[C@@H]1CCc2ccccc21 ZINC000736843248 599040666 /nfs/dbraw/zinc/04/06/66/599040666.db2.gz IQEUILYPOKOOPB-CYBMUJFWSA-N -1 3 360.343 3.404 20 0 FGADHM CN(Cc1ccc(F)c(F)c1)c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000736816969 599040798 /nfs/dbraw/zinc/04/07/98/599040798.db2.gz RSFPMWPFHHSFNZ-UHFFFAOYSA-N -1 3 370.285 3.195 20 0 FGADHM CN(Cc1ccc(F)c(F)c1)c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000736816969 599040801 /nfs/dbraw/zinc/04/08/01/599040801.db2.gz RSFPMWPFHHSFNZ-UHFFFAOYSA-N -1 3 370.285 3.195 20 0 FGADHM CN(CCCc1ccccc1)c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000736796920 599043518 /nfs/dbraw/zinc/04/35/18/599043518.db2.gz DDZILGWEYMVCGQ-UHFFFAOYSA-N -1 3 362.359 3.350 20 0 FGADHM CN(CCCc1ccccc1)c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000736796920 599043520 /nfs/dbraw/zinc/04/35/20/599043520.db2.gz DDZILGWEYMVCGQ-UHFFFAOYSA-N -1 3 362.359 3.350 20 0 FGADHM COc1cc(CCNc2cc(-c3nnn[n-]3)c3ccccc3n2)ccc1C ZINC000737045330 599045083 /nfs/dbraw/zinc/04/50/83/599045083.db2.gz IKVBEIGKBLLNHI-UHFFFAOYSA-N -1 3 360.421 3.387 20 0 FGADHM COc1cc(CCNc2cc(-c3nn[n-]n3)c3ccccc3n2)ccc1C ZINC000737045330 599045086 /nfs/dbraw/zinc/04/50/86/599045086.db2.gz IKVBEIGKBLLNHI-UHFFFAOYSA-N -1 3 360.421 3.387 20 0 FGADHM COc1cccc([C@H](C)Nc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)c1 ZINC000737124913 599046523 /nfs/dbraw/zinc/04/65/23/599046523.db2.gz FLOYSFGCEQWUBR-VIFPVBQESA-N -1 3 364.331 3.462 20 0 FGADHM COc1cccc([C@H](C)Nc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)c1 ZINC000737124913 599046527 /nfs/dbraw/zinc/04/65/27/599046527.db2.gz FLOYSFGCEQWUBR-VIFPVBQESA-N -1 3 364.331 3.462 20 0 FGADHM Cc1cc(C)c(NC(=O)CNc2cccc(-c3nnn[n-]3)c2C)c(Cl)c1 ZINC000822194109 607257836 /nfs/dbraw/zinc/25/78/36/607257836.db2.gz IVZYXDAUUDXSMH-UHFFFAOYSA-N -1 3 370.844 3.496 20 0 FGADHM Cc1cc(C)c(NC(=O)CNc2cccc(-c3nn[n-]n3)c2C)c(Cl)c1 ZINC000822194109 607257837 /nfs/dbraw/zinc/25/78/37/607257837.db2.gz IVZYXDAUUDXSMH-UHFFFAOYSA-N -1 3 370.844 3.496 20 0 FGADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(N2CC3C[C@@H]4CC2C[C@H](C3)C4)n1 ZINC000737633290 599049509 /nfs/dbraw/zinc/04/95/09/599049509.db2.gz PYGSZBHKSWLAPB-ZYANWLCNSA-N -1 3 364.375 3.295 20 0 FGADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(N2CC3C[C@@H]4CC2C[C@H](C3)C4)n1 ZINC000737633290 599049512 /nfs/dbraw/zinc/04/95/12/599049512.db2.gz PYGSZBHKSWLAPB-ZYANWLCNSA-N -1 3 364.375 3.295 20 0 FGADHM Cc1ccc(O[C@@H](C)CNc2c(-c3nnn[n-]3)cnc3ccccc32)cc1 ZINC000822259225 599068097 /nfs/dbraw/zinc/06/80/97/599068097.db2.gz QFEYZUUITDBCPG-AWEZNQCLSA-N -1 3 360.421 3.025 20 0 FGADHM Cc1ccc(O[C@@H](C)CNc2c(-c3nn[n-]n3)cnc3ccccc32)cc1 ZINC000822259225 599068100 /nfs/dbraw/zinc/06/81/00/599068100.db2.gz QFEYZUUITDBCPG-AWEZNQCLSA-N -1 3 360.421 3.025 20 0 FGADHM CN(C(=O)[C@H]1C[C@H]1c1cc(F)ccc1F)c1ccc(-c2nnn[n-]2)cc1F ZINC000736731507 599073113 /nfs/dbraw/zinc/07/31/13/599073113.db2.gz HAFRIKVSSXAVRW-AAEUAGOBSA-N -1 3 373.338 3.051 20 0 FGADHM CN(C(=O)[C@H]1C[C@H]1c1cc(F)ccc1F)c1ccc(-c2nn[n-]n2)cc1F ZINC000736731507 599073116 /nfs/dbraw/zinc/07/31/16/599073116.db2.gz HAFRIKVSSXAVRW-AAEUAGOBSA-N -1 3 373.338 3.051 20 0 FGADHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(N3C[C@@H](C)S[C@@H](C)C3)c2c1 ZINC000822195340 599075568 /nfs/dbraw/zinc/07/55/68/599075568.db2.gz PJHYTTODVRDAPX-BETUJISGSA-N -1 3 354.483 3.362 20 0 FGADHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(N3C[C@@H](C)S[C@@H](C)C3)c2c1 ZINC000822195340 599075571 /nfs/dbraw/zinc/07/55/71/599075571.db2.gz PJHYTTODVRDAPX-BETUJISGSA-N -1 3 354.483 3.362 20 0 FGADHM CC(C)C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)cn1)c1ccc(Cl)cc1 ZINC000735787465 599079067 /nfs/dbraw/zinc/07/90/67/599079067.db2.gz KJRUWIRIQIYFGO-INIZCTEOSA-N -1 3 370.844 3.432 20 0 FGADHM CC(C)C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)cn1)c1ccc(Cl)cc1 ZINC000735787465 599079070 /nfs/dbraw/zinc/07/90/70/599079070.db2.gz KJRUWIRIQIYFGO-INIZCTEOSA-N -1 3 370.844 3.432 20 0 FGADHM CC(C)C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)cn1)c1ccc(Cl)cc1 ZINC000735787466 599079671 /nfs/dbraw/zinc/07/96/71/599079671.db2.gz KJRUWIRIQIYFGO-MRXNPFEDSA-N -1 3 370.844 3.432 20 0 FGADHM CC(C)C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)cn1)c1ccc(Cl)cc1 ZINC000735787466 599079674 /nfs/dbraw/zinc/07/96/74/599079674.db2.gz KJRUWIRIQIYFGO-MRXNPFEDSA-N -1 3 370.844 3.432 20 0 FGADHM CC[C@@H]1CN(c2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)CCS1 ZINC000820995389 599102108 /nfs/dbraw/zinc/10/21/08/599102108.db2.gz QRPJNYKAZCNOKC-LLVKDONJSA-N -1 3 360.874 3.400 20 0 FGADHM CC[C@@H]1CN(c2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)CCS1 ZINC000820995389 599102109 /nfs/dbraw/zinc/10/21/09/599102109.db2.gz QRPJNYKAZCNOKC-LLVKDONJSA-N -1 3 360.874 3.400 20 0 FGADHM C[C@@H]1CCC[C@H](CCNC(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000736253767 599106110 /nfs/dbraw/zinc/10/61/10/599106110.db2.gz WCYSUJNFVPPBOP-HUUCEWRRSA-N -1 3 356.474 3.225 20 0 FGADHM C[C@@H]1CCC[C@H](CCNC(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000736253767 599106113 /nfs/dbraw/zinc/10/61/13/599106113.db2.gz WCYSUJNFVPPBOP-HUUCEWRRSA-N -1 3 356.474 3.225 20 0 FGADHM OC[C@H](Cc1c[nH]c2ccccc12)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000823706899 599106165 /nfs/dbraw/zinc/10/61/65/599106165.db2.gz RKQSGVKXYZLNLI-ZDUSSCGKSA-N -1 3 368.828 3.017 20 0 FGADHM OC[C@H](Cc1c[nH]c2ccccc12)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000823706899 599106167 /nfs/dbraw/zinc/10/61/67/599106167.db2.gz RKQSGVKXYZLNLI-ZDUSSCGKSA-N -1 3 368.828 3.017 20 0 FGADHM COC[C@@H](C)Sc1nc2c(c(-c3ccco3)c1-c1nnn[n-]1)CCC2 ZINC000821682308 599123571 /nfs/dbraw/zinc/12/35/71/599123571.db2.gz AYMJILFFWYEREN-SNVBAGLBSA-N -1 3 357.439 3.137 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OCc1ncc(-c2ccc(C)cc2)o1 ZINC000821702050 599123647 /nfs/dbraw/zinc/12/36/47/599123647.db2.gz FYOOMCKBEPUMIG-UHFFFAOYSA-N -1 3 363.377 3.418 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OCc1ncc(-c2ccc(C)cc2)o1 ZINC000821702050 599123648 /nfs/dbraw/zinc/12/36/48/599123648.db2.gz FYOOMCKBEPUMIG-UHFFFAOYSA-N -1 3 363.377 3.418 20 0 FGADHM c1ccc(CCc2nnc(SCc3ccccc3-c3nnn[n-]3)o2)cc1 ZINC000823779811 599134043 /nfs/dbraw/zinc/13/40/43/599134043.db2.gz JRZNDVGQBAEKEN-UHFFFAOYSA-N -1 3 364.434 3.327 20 0 FGADHM c1ccc(CCc2nnc(SCc3ccccc3-c3nn[n-]n3)o2)cc1 ZINC000823779811 599134046 /nfs/dbraw/zinc/13/40/46/599134046.db2.gz JRZNDVGQBAEKEN-UHFFFAOYSA-N -1 3 364.434 3.327 20 0 FGADHM C[C@@H](CCc1ccccc1F)C(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000820254523 599139212 /nfs/dbraw/zinc/13/92/12/599139212.db2.gz QNBPKUFACWXYSI-AWEZNQCLSA-N -1 3 367.428 3.233 20 0 FGADHM C[C@@H](CCc1ccccc1F)C(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000820254523 599139214 /nfs/dbraw/zinc/13/92/14/599139214.db2.gz QNBPKUFACWXYSI-AWEZNQCLSA-N -1 3 367.428 3.233 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cccc(F)c1Cl ZINC000821411872 599144389 /nfs/dbraw/zinc/14/43/89/599144389.db2.gz CJDBEOXAXOQYPW-UHFFFAOYSA-N -1 3 361.764 3.310 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cccc(F)c1Cl ZINC000821411872 599144392 /nfs/dbraw/zinc/14/43/92/599144392.db2.gz CJDBEOXAXOQYPW-UHFFFAOYSA-N -1 3 361.764 3.310 20 0 FGADHM Cc1cccc([C@H](C)NC(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)c1C ZINC000737387347 599147913 /nfs/dbraw/zinc/14/79/13/599147913.db2.gz GVNPMVZUHYZXAW-HNNXBMFYSA-N -1 3 364.453 3.386 20 0 FGADHM Cc1cccc([C@H](C)NC(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)c1C ZINC000737387347 599147915 /nfs/dbraw/zinc/14/79/15/599147915.db2.gz GVNPMVZUHYZXAW-HNNXBMFYSA-N -1 3 364.453 3.386 20 0 FGADHM Cc1cccc([C@@H](C)NC(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)c1C ZINC000737391298 599148935 /nfs/dbraw/zinc/14/89/35/599148935.db2.gz ZLCTWRMVDCSEAG-OAHLLOKOSA-N -1 3 364.453 3.386 20 0 FGADHM Cc1cccc([C@@H](C)NC(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)c1C ZINC000737391298 599148936 /nfs/dbraw/zinc/14/89/36/599148936.db2.gz ZLCTWRMVDCSEAG-OAHLLOKOSA-N -1 3 364.453 3.386 20 0 FGADHM C/C(=C\C(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1)C(C)(C)C ZINC000819766470 599150332 /nfs/dbraw/zinc/15/03/32/599150332.db2.gz ZHNADPHHLVDFHO-BUHFOSPRSA-N -1 3 369.469 3.229 20 0 FGADHM C[C@H](OC(=O)C[C@H]1OCCc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000736150340 599153293 /nfs/dbraw/zinc/15/32/93/599153293.db2.gz NDUKZDIFEMMXSD-SCLBCKFNSA-N -1 3 364.405 3.175 20 0 FGADHM C[C@H](OC(=O)C[C@H]1OCCc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000736150340 599153294 /nfs/dbraw/zinc/15/32/94/599153294.db2.gz NDUKZDIFEMMXSD-SCLBCKFNSA-N -1 3 364.405 3.175 20 0 FGADHM C[C@H](CC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1)c1cccc(F)c1 ZINC000735975919 599159476 /nfs/dbraw/zinc/15/94/76/599159476.db2.gz QWLKVLFNKLYJSJ-CYBMUJFWSA-N -1 3 353.401 3.158 20 0 FGADHM C[C@H](CC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1)c1cccc(F)c1 ZINC000735975919 599159477 /nfs/dbraw/zinc/15/94/77/599159477.db2.gz QWLKVLFNKLYJSJ-CYBMUJFWSA-N -1 3 353.401 3.158 20 0 FGADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)c1cc(Cl)ccc1Cl ZINC000823237735 599165385 /nfs/dbraw/zinc/16/53/85/599165385.db2.gz AKNWBBJHLDLTOV-UHFFFAOYSA-N -1 3 366.183 3.243 20 0 FGADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)c1cc(Cl)ccc1Cl ZINC000823237735 599165387 /nfs/dbraw/zinc/16/53/87/599165387.db2.gz AKNWBBJHLDLTOV-UHFFFAOYSA-N -1 3 366.183 3.243 20 0 FGADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)C1(c2ccc(Cl)cc2)CC1 ZINC000823235892 599170193 /nfs/dbraw/zinc/17/01/93/599170193.db2.gz ZKAOFVBAWJVSFJ-UHFFFAOYSA-N -1 3 371.803 3.007 20 0 FGADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)C1(c2ccc(Cl)cc2)CC1 ZINC000823235892 599170195 /nfs/dbraw/zinc/17/01/95/599170195.db2.gz ZKAOFVBAWJVSFJ-UHFFFAOYSA-N -1 3 371.803 3.007 20 0 FGADHM CCc1ccc(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000736690995 599172714 /nfs/dbraw/zinc/17/27/14/599172714.db2.gz MMCXFIPNOCVUGO-UHFFFAOYSA-N -1 3 357.414 3.299 20 0 FGADHM CCc1ccc(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000736690995 599172717 /nfs/dbraw/zinc/17/27/17/599172717.db2.gz MMCXFIPNOCVUGO-UHFFFAOYSA-N -1 3 357.414 3.299 20 0 FGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@H]1c1ccco1 ZINC000735661147 599180169 /nfs/dbraw/zinc/18/01/69/599180169.db2.gz RPUVGRPPKFFQEB-ZDUSSCGKSA-N -1 3 369.429 3.385 20 0 FGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@H]1c1ccco1 ZINC000735661147 599180171 /nfs/dbraw/zinc/18/01/71/599180171.db2.gz RPUVGRPPKFFQEB-ZDUSSCGKSA-N -1 3 369.429 3.385 20 0 FGADHM C[C@@H](C(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1)c1cccc(Cl)c1 ZINC000735511323 599182133 /nfs/dbraw/zinc/18/21/33/599182133.db2.gz CDGXTGVSIRZPIH-GFCCVEGCSA-N -1 3 355.829 3.282 20 0 FGADHM C[C@@H](C(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1)c1cccc(Cl)c1 ZINC000735511323 599182134 /nfs/dbraw/zinc/18/21/34/599182134.db2.gz CDGXTGVSIRZPIH-GFCCVEGCSA-N -1 3 355.829 3.282 20 0 FGADHM CCC(=CC(=O)NCc1cc(-c2nnn[n-]2)ccc1F)c1ccc(C)cc1 ZINC000820833203 599183218 /nfs/dbraw/zinc/18/32/18/599183218.db2.gz TYZLXBCDVUOTEL-SDNWHVSQSA-N -1 3 365.412 3.424 20 0 FGADHM CCC(=CC(=O)NCc1cc(-c2nn[n-]n2)ccc1F)c1ccc(C)cc1 ZINC000820833203 599183221 /nfs/dbraw/zinc/18/32/21/599183221.db2.gz TYZLXBCDVUOTEL-SDNWHVSQSA-N -1 3 365.412 3.424 20 0 FGADHM C[C@H]1C[C@H](c2ccccc2F)N(C(=O)c2sccc2-c2nnn[n-]2)C1 ZINC000820668762 599189780 /nfs/dbraw/zinc/18/97/80/599189780.db2.gz WADVOGWCYPOSEM-IINYFYTJSA-N -1 3 357.414 3.291 20 0 FGADHM C[C@H]1C[C@H](c2ccccc2F)N(C(=O)c2sccc2-c2nn[n-]n2)C1 ZINC000820668762 599189783 /nfs/dbraw/zinc/18/97/83/599189783.db2.gz WADVOGWCYPOSEM-IINYFYTJSA-N -1 3 357.414 3.291 20 0 FGADHM C[C@@H](CNC(=O)CCc1ccc(-c2nnn[n-]2)cc1)Sc1ccccc1 ZINC000820262522 599192394 /nfs/dbraw/zinc/19/23/94/599192394.db2.gz XYFUYYMITFFIMW-AWEZNQCLSA-N -1 3 367.478 3.096 20 0 FGADHM C[C@@H](CNC(=O)CCc1ccc(-c2nn[n-]n2)cc1)Sc1ccccc1 ZINC000820262522 599192395 /nfs/dbraw/zinc/19/23/95/599192395.db2.gz XYFUYYMITFFIMW-AWEZNQCLSA-N -1 3 367.478 3.096 20 0 FGADHM CCCNC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000736487498 599194205 /nfs/dbraw/zinc/19/42/05/599194205.db2.gz IROMTCUKMBRTNP-UHFFFAOYSA-N -1 3 357.801 3.452 20 0 FGADHM CCCNC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000736487498 599194208 /nfs/dbraw/zinc/19/42/08/599194208.db2.gz IROMTCUKMBRTNP-UHFFFAOYSA-N -1 3 357.801 3.452 20 0 FGADHM CCC[C@@H]1[C@@H](C)CCCN1C(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000821034055 599195293 /nfs/dbraw/zinc/19/52/93/599195293.db2.gz ICSWKGMKHUUEMH-JJRVBVJISA-N -1 3 357.458 3.061 20 0 FGADHM CC(C)(C)c1cnc(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)s1 ZINC000819965461 599194277 /nfs/dbraw/zinc/19/42/77/599194277.db2.gz HPNIDOBJGVWFAZ-HJWRWDBZSA-N -1 3 354.439 3.273 20 0 FGADHM CC(C)(C)c1cnc(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)s1 ZINC000819965461 599194279 /nfs/dbraw/zinc/19/42/79/599194279.db2.gz HPNIDOBJGVWFAZ-HJWRWDBZSA-N -1 3 354.439 3.273 20 0 FGADHM FC(F)Oc1ccccc1N1CC[C@H](Nc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737639793 599206368 /nfs/dbraw/zinc/20/63/68/599206368.db2.gz XDGOMKAOBBZGDD-AWEZNQCLSA-N -1 3 372.379 3.159 20 0 FGADHM C[C@H]1CN(C(=O)CSc2ccc(-c3nnn[n-]3)cc2)[C@@H]1c1ccccc1 ZINC000820733645 599208773 /nfs/dbraw/zinc/20/87/73/599208773.db2.gz HSEYHOHPAWNGKZ-UGSOOPFHSA-N -1 3 365.462 3.178 20 0 FGADHM C[C@H]1CN(C(=O)CSc2ccc(-c3nn[n-]n3)cc2)[C@@H]1c1ccccc1 ZINC000820733645 599208774 /nfs/dbraw/zinc/20/87/74/599208774.db2.gz HSEYHOHPAWNGKZ-UGSOOPFHSA-N -1 3 365.462 3.178 20 0 FGADHM C[C@H](COC(=O)CSCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000736038247 599214259 /nfs/dbraw/zinc/21/42/59/599214259.db2.gz SSQRDMBLAPCZCD-CQSZACIVSA-N -1 3 368.462 3.447 20 0 FGADHM C[C@H](COC(=O)CSCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000736038247 599214260 /nfs/dbraw/zinc/21/42/60/599214260.db2.gz SSQRDMBLAPCZCD-CQSZACIVSA-N -1 3 368.462 3.447 20 0 FGADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)N(Cc1ccccc1)CC(F)F ZINC000822974651 599215230 /nfs/dbraw/zinc/21/52/30/599215230.db2.gz WWHLXHNOOCQICS-UHFFFAOYSA-N -1 3 371.391 3.093 20 0 FGADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)N(Cc1ccccc1)CC(F)F ZINC000822974651 599215233 /nfs/dbraw/zinc/21/52/33/599215233.db2.gz WWHLXHNOOCQICS-UHFFFAOYSA-N -1 3 371.391 3.093 20 0 FGADHM CCC[C@]1(C)CCCN(C(=O)CSc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000821027010 599220074 /nfs/dbraw/zinc/22/00/74/599220074.db2.gz JRMBBXMPUDZEBR-GOSISDBHSA-N -1 3 359.499 3.388 20 0 FGADHM CCC[C@]1(C)CCCN(C(=O)CSc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821027010 599220077 /nfs/dbraw/zinc/22/00/77/599220077.db2.gz JRMBBXMPUDZEBR-GOSISDBHSA-N -1 3 359.499 3.388 20 0 FGADHM COc1ccc(Cl)c(NC(=S)NCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821824468 599225753 /nfs/dbraw/zinc/22/57/53/599225753.db2.gz KGTQAUGDHHQTNA-UHFFFAOYSA-N -1 3 374.857 3.015 20 0 FGADHM COc1ccc(Cl)c(NC(=S)NCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821824468 599225755 /nfs/dbraw/zinc/22/57/55/599225755.db2.gz KGTQAUGDHHQTNA-UHFFFAOYSA-N -1 3 374.857 3.015 20 0 FGADHM COCc1nc(CSCc2ccc(-c3nnn[n-]3)cc2F)cs1 ZINC000821696824 599226013 /nfs/dbraw/zinc/22/60/13/599226013.db2.gz QVWXWTIEFRDNQS-UHFFFAOYSA-N -1 3 351.432 3.042 20 0 FGADHM COCc1nc(CSCc2ccc(-c3nn[n-]n3)cc2F)cs1 ZINC000821696824 599226016 /nfs/dbraw/zinc/22/60/16/599226016.db2.gz QVWXWTIEFRDNQS-UHFFFAOYSA-N -1 3 351.432 3.042 20 0 FGADHM CN(C(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1)C1CCC1 ZINC000736741138 599229495 /nfs/dbraw/zinc/22/94/95/599229495.db2.gz BCDYFXNGAQKXAS-UHFFFAOYSA-N -1 3 363.421 3.070 20 0 FGADHM CN(C(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1)C1CCC1 ZINC000736741138 599229497 /nfs/dbraw/zinc/22/94/97/599229497.db2.gz BCDYFXNGAQKXAS-UHFFFAOYSA-N -1 3 363.421 3.070 20 0 FGADHM CN(C(=O)c1ncc(-c2nnn[n-]2)cc1Cl)c1cccc2ccccc21 ZINC000821574372 607263041 /nfs/dbraw/zinc/26/30/41/607263041.db2.gz DGXJURAVPYRDJW-UHFFFAOYSA-N -1 3 364.796 3.345 20 0 FGADHM CN(C(=O)c1ncc(-c2nn[n-]n2)cc1Cl)c1cccc2ccccc21 ZINC000821574372 607263042 /nfs/dbraw/zinc/26/30/42/607263042.db2.gz DGXJURAVPYRDJW-UHFFFAOYSA-N -1 3 364.796 3.345 20 0 FGADHM COc1ccc(NC(=S)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1F ZINC000821835967 599239525 /nfs/dbraw/zinc/23/95/25/599239525.db2.gz VQMQHHYFHWBETB-SNVBAGLBSA-N -1 3 372.429 3.062 20 0 FGADHM COc1ccc(NC(=S)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1F ZINC000821835967 599239527 /nfs/dbraw/zinc/23/95/27/599239527.db2.gz VQMQHHYFHWBETB-SNVBAGLBSA-N -1 3 372.429 3.062 20 0 FGADHM Cc1ccc(F)c(NC(=S)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000822240195 599239447 /nfs/dbraw/zinc/23/94/47/599239447.db2.gz WLSSPNLWXBQSPP-NSHDSACASA-N -1 3 356.430 3.362 20 0 FGADHM Cc1ccc(F)c(NC(=S)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000822240195 599239449 /nfs/dbraw/zinc/23/94/49/599239449.db2.gz WLSSPNLWXBQSPP-NSHDSACASA-N -1 3 356.430 3.362 20 0 FGADHM Cc1c(NC(=O)COc2cccc(C(C)C)c2)cccc1-c1nnn[n-]1 ZINC000822077523 607270107 /nfs/dbraw/zinc/27/01/07/607270107.db2.gz WKDVXKILEGRBMF-UHFFFAOYSA-N -1 3 351.410 3.316 20 0 FGADHM Cc1c(NC(=O)COc2cccc(C(C)C)c2)cccc1-c1nn[n-]n1 ZINC000822077523 607270108 /nfs/dbraw/zinc/27/01/08/607270108.db2.gz WKDVXKILEGRBMF-UHFFFAOYSA-N -1 3 351.410 3.316 20 0 FGADHM Cc1c(NC(=O)Cc2ccc(Br)cc2)cccc1-c1nnn[n-]1 ZINC000822075834 607270444 /nfs/dbraw/zinc/27/04/44/607270444.db2.gz JJFDMQHDOYZCCB-UHFFFAOYSA-N -1 3 372.226 3.119 20 0 FGADHM Cc1c(NC(=O)Cc2ccc(Br)cc2)cccc1-c1nn[n-]n1 ZINC000822075834 607270445 /nfs/dbraw/zinc/27/04/45/607270445.db2.gz JJFDMQHDOYZCCB-UHFFFAOYSA-N -1 3 372.226 3.119 20 0 FGADHM CN(C(=O)Nc1ccccc1CC(=O)[O-])[C@H]1CCN(Cc2ccccc2)C1 ZINC000312746081 597133551 /nfs/dbraw/zinc/13/35/51/597133551.db2.gz WGTDQFQTBKVQFC-SFHVURJKSA-N -1 3 367.449 3.052 20 0 FGADHM CO[C@@H](CNC(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)cc1 ZINC000821677243 599246557 /nfs/dbraw/zinc/24/65/57/599246557.db2.gz RUOJTFLMFSNFTQ-HNNXBMFYSA-N -1 3 372.816 3.029 20 0 FGADHM CO[C@@H](CNC(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)cc1 ZINC000821677243 599246558 /nfs/dbraw/zinc/24/65/58/599246558.db2.gz RUOJTFLMFSNFTQ-HNNXBMFYSA-N -1 3 372.816 3.029 20 0 FGADHM Cc1c(NC(=O)NCCc2csc(C(C)C)n2)cccc1-c1nnn[n-]1 ZINC000822102692 607281948 /nfs/dbraw/zinc/28/19/48/607281948.db2.gz CGXDWMQHGJVQRC-UHFFFAOYSA-N -1 3 371.470 3.119 20 0 FGADHM Cc1c(NC(=O)NCCc2csc(C(C)C)n2)cccc1-c1nn[n-]n1 ZINC000822102692 607281949 /nfs/dbraw/zinc/28/19/49/607281949.db2.gz CGXDWMQHGJVQRC-UHFFFAOYSA-N -1 3 371.470 3.119 20 0 FGADHM Cc1ccc(CC[C@@H](C)NC(=O)Nc2cccc(-c3nnn[n-]3)c2C)o1 ZINC000822235908 607282782 /nfs/dbraw/zinc/28/27/82/607282782.db2.gz BLCFZBGUYAERLL-LLVKDONJSA-N -1 3 354.414 3.219 20 0 FGADHM Cc1ccc(CC[C@@H](C)NC(=O)Nc2cccc(-c3nn[n-]n3)c2C)o1 ZINC000822235908 607282783 /nfs/dbraw/zinc/28/27/83/607282783.db2.gz BLCFZBGUYAERLL-LLVKDONJSA-N -1 3 354.414 3.219 20 0 FGADHM CN(Cc1cccs1)c1c(-c2nnn[n-]2)cnc2c(F)ccc(F)c21 ZINC000736828534 599255521 /nfs/dbraw/zinc/25/55/21/599255521.db2.gz NIHPWSBLIZTOGW-UHFFFAOYSA-N -1 3 358.377 3.391 20 0 FGADHM CN(Cc1cccs1)c1c(-c2nn[n-]n2)cnc2c(F)ccc(F)c21 ZINC000736828534 599255522 /nfs/dbraw/zinc/25/55/22/599255522.db2.gz NIHPWSBLIZTOGW-UHFFFAOYSA-N -1 3 358.377 3.391 20 0 FGADHM Cc1c(NC(=O)N2CCc3cccc(F)c3[C@@H]2C)cccc1-c1nnn[n-]1 ZINC000822091233 607284388 /nfs/dbraw/zinc/28/43/88/607284388.db2.gz PBYITFGQXUIYOG-LBPRGKRZSA-N -1 3 366.400 3.465 20 0 FGADHM Cc1c(NC(=O)N2CCc3cccc(F)c3[C@@H]2C)cccc1-c1nn[n-]n1 ZINC000822091233 607284389 /nfs/dbraw/zinc/28/43/89/607284389.db2.gz PBYITFGQXUIYOG-LBPRGKRZSA-N -1 3 366.400 3.465 20 0 FGADHM Fc1ccc(F)c2c1ncc(-c1nnn[n-]1)c2N[C@@H]1CCc2ccccc21 ZINC000737660876 599262525 /nfs/dbraw/zinc/26/25/25/599262525.db2.gz UJEYPCUEHZGHNW-OAHLLOKOSA-N -1 3 364.359 3.214 20 0 FGADHM Fc1ccc(F)c2c1ncc(-c1nn[n-]n1)c2N[C@@H]1CCc2ccccc21 ZINC000737660876 599262527 /nfs/dbraw/zinc/26/25/27/599262527.db2.gz UJEYPCUEHZGHNW-OAHLLOKOSA-N -1 3 364.359 3.214 20 0 FGADHM Cc1c(NC(=O)C(C)(C)Oc2ccc(F)cc2)cccc1-c1nnn[n-]1 ZINC000822060133 607294107 /nfs/dbraw/zinc/29/41/07/607294107.db2.gz FTAUAIRVDBDRQA-UHFFFAOYSA-N -1 3 355.373 3.110 20 0 FGADHM Cc1c(NC(=O)C(C)(C)Oc2ccc(F)cc2)cccc1-c1nn[n-]n1 ZINC000822060133 607294108 /nfs/dbraw/zinc/29/41/08/607294108.db2.gz FTAUAIRVDBDRQA-UHFFFAOYSA-N -1 3 355.373 3.110 20 0 FGADHM Cc1ccc(-c2cc(C(=O)Nc3cccc(-c4nnn[n-]4)c3C)on2)cc1 ZINC000822213879 607295053 /nfs/dbraw/zinc/29/50/53/607295053.db2.gz FFTDOMGNSRUKDH-UHFFFAOYSA-N -1 3 360.377 3.391 20 0 FGADHM Cc1ccc(-c2cc(C(=O)Nc3cccc(-c4nn[n-]n4)c3C)on2)cc1 ZINC000822213879 607295054 /nfs/dbraw/zinc/29/50/54/607295054.db2.gz FFTDOMGNSRUKDH-UHFFFAOYSA-N -1 3 360.377 3.391 20 0 FGADHM CCc1ccccc1C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000821492658 607314149 /nfs/dbraw/zinc/31/41/49/607314149.db2.gz RYSHMSCHBYPKMZ-UHFFFAOYSA-N -1 3 359.336 3.283 20 0 FGADHM CCc1ccccc1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000821492658 607314150 /nfs/dbraw/zinc/31/41/50/607314150.db2.gz RYSHMSCHBYPKMZ-UHFFFAOYSA-N -1 3 359.336 3.283 20 0 FGADHM Cc1cc(N2CCSCC2)ccc1NCc1ccc(-c2nnn[n-]2)s1 ZINC000822207144 607315309 /nfs/dbraw/zinc/31/53/09/607315309.db2.gz MIQMZXPUXXLNSA-UHFFFAOYSA-N -1 3 372.523 3.402 20 0 FGADHM FC(F)Oc1ccccc1CNc1c(-c2nnn[n-]2)cnc2ccccc21 ZINC000737639188 599265442 /nfs/dbraw/zinc/26/54/42/599265442.db2.gz OZHFIWDVEUDZNH-UHFFFAOYSA-N -1 3 368.347 3.050 20 0 FGADHM FC(F)Oc1ccccc1CNc1c(-c2nn[n-]n2)cnc2ccccc21 ZINC000737639188 599265443 /nfs/dbraw/zinc/26/54/43/599265443.db2.gz OZHFIWDVEUDZNH-UHFFFAOYSA-N -1 3 368.347 3.050 20 0 FGADHM Clc1ccc(-n2cc(CNc3ccc(-c4nn[n-]n4)cc3)cn2)cc1 ZINC000737570367 599266788 /nfs/dbraw/zinc/26/67/88/599266788.db2.gz GERKBGMGKWRYEE-UHFFFAOYSA-N -1 3 351.801 3.318 20 0 FGADHM Fc1cc(F)c2ncc(-c3nnn[n-]3)c(NCCCc3nccs3)c2c1 ZINC000737654019 599267534 /nfs/dbraw/zinc/26/75/34/599267534.db2.gz VTVPKDKBNOGPIG-UHFFFAOYSA-N -1 3 373.392 3.194 20 0 FGADHM Fc1cc(F)c2ncc(-c3nn[n-]n3)c(NCCCc3nccs3)c2c1 ZINC000737654019 599267537 /nfs/dbraw/zinc/26/75/37/599267537.db2.gz VTVPKDKBNOGPIG-UHFFFAOYSA-N -1 3 373.392 3.194 20 0 FGADHM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)cn1)c1cc(Cl)ccc1Cl ZINC000824723329 607779380 /nfs/dbraw/zinc/77/93/80/607779380.db2.gz PUUZEGUOCAUINU-QMMMGPOBSA-N -1 3 364.192 3.487 20 0 FGADHM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)cn1)c1cc(Cl)ccc1Cl ZINC000824723329 607779381 /nfs/dbraw/zinc/77/93/81/607779381.db2.gz PUUZEGUOCAUINU-QMMMGPOBSA-N -1 3 364.192 3.487 20 0 FGADHM COC(=O)c1ccc(-c2nc(CNC3(C(=O)[O-])CCCCC3)co2)cc1 ZINC000820680617 597722185 /nfs/dbraw/zinc/72/21/85/597722185.db2.gz XZGJSMQLCMCMLL-UHFFFAOYSA-N -1 3 358.394 3.005 20 0 FGADHM CCOCc1cccc(NC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000821384530 599274566 /nfs/dbraw/zinc/27/45/66/599274566.db2.gz YZZROBKRPZJFFE-CYBMUJFWSA-N -1 3 366.425 3.286 20 0 FGADHM CCOCc1cccc(NC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000821384530 599274568 /nfs/dbraw/zinc/27/45/68/599274568.db2.gz YZZROBKRPZJFFE-CYBMUJFWSA-N -1 3 366.425 3.286 20 0 FGADHM CC[C@H](C)C[C@H](C)NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000820869838 599275923 /nfs/dbraw/zinc/27/59/23/599275923.db2.gz JAYOKXDEODCBOQ-UWVGGRQHSA-N -1 3 368.388 3.414 20 0 FGADHM CC[C@H](C)C[C@H](C)NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000820869838 599275925 /nfs/dbraw/zinc/27/59/25/599275925.db2.gz JAYOKXDEODCBOQ-UWVGGRQHSA-N -1 3 368.388 3.414 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N1CCS[C@H](c2ccccc2)C1 ZINC000738151402 599277205 /nfs/dbraw/zinc/27/72/05/599277205.db2.gz HYRGBNUVPVWVLW-INIZCTEOSA-N -1 3 366.450 3.189 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N1CCS[C@H](c2ccccc2)C1 ZINC000738151402 599277207 /nfs/dbraw/zinc/27/72/07/599277207.db2.gz HYRGBNUVPVWVLW-INIZCTEOSA-N -1 3 366.450 3.189 20 0 FGADHM CO[C@H](C)COC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000821674186 607320284 /nfs/dbraw/zinc/32/02/84/607320284.db2.gz WMNHLQVPKQXEDN-CYBMUJFWSA-N -1 3 368.393 3.159 20 0 FGADHM CO[C@H](C)COC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000821674186 607320285 /nfs/dbraw/zinc/32/02/85/607320285.db2.gz WMNHLQVPKQXEDN-CYBMUJFWSA-N -1 3 368.393 3.159 20 0 FGADHM Cc1nc2nc(S[C@@H](C)c3ccc(-c4nnn[n-]4)cc3)nn2c(C)c1C ZINC000737488701 599290295 /nfs/dbraw/zinc/29/02/95/599290295.db2.gz BGZXMULGFCIPDO-LBPRGKRZSA-N -1 3 366.454 3.083 20 0 FGADHM Cc1nc2nc(S[C@@H](C)c3ccc(-c4nn[n-]n4)cc3)nn2c(C)c1C ZINC000737488701 599290298 /nfs/dbraw/zinc/29/02/98/599290298.db2.gz BGZXMULGFCIPDO-LBPRGKRZSA-N -1 3 366.454 3.083 20 0 FGADHM CCC[C@@](C)(O)C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821007931 607323356 /nfs/dbraw/zinc/32/33/56/607323356.db2.gz DTOFPGPQGZAEOZ-LJQANCHMSA-N -1 3 367.409 3.149 20 0 FGADHM CCC[C@@](C)(O)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821007931 607323357 /nfs/dbraw/zinc/32/33/57/607323357.db2.gz DTOFPGPQGZAEOZ-LJQANCHMSA-N -1 3 367.409 3.149 20 0 FGADHM CCOCCC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736612018 598231559 /nfs/dbraw/zinc/23/15/59/598231559.db2.gz ZUQCBCGRYGMCIA-UHFFFAOYSA-N -1 3 353.382 3.024 20 0 FGADHM CCOCCC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736612018 598231560 /nfs/dbraw/zinc/23/15/60/598231560.db2.gz ZUQCBCGRYGMCIA-UHFFFAOYSA-N -1 3 353.382 3.024 20 0 FGADHM CO[C@H](C)CC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736958695 598231660 /nfs/dbraw/zinc/23/16/60/598231660.db2.gz VRWOECJZFOGZMI-GFCCVEGCSA-N -1 3 353.382 3.023 20 0 FGADHM CO[C@H](C)CC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736958695 598231662 /nfs/dbraw/zinc/23/16/62/598231662.db2.gz VRWOECJZFOGZMI-GFCCVEGCSA-N -1 3 353.382 3.023 20 0 FGADHM O=C(N[C@H](c1ccc(F)cc1)C1CCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000737997800 598232645 /nfs/dbraw/zinc/23/26/45/598232645.db2.gz LPQROEFDKIDVRL-KRWDZBQOSA-N -1 3 351.385 3.277 20 0 FGADHM O=C(N[C@H](c1ccc(F)cc1)C1CCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000737997800 598232647 /nfs/dbraw/zinc/23/26/47/598232647.db2.gz LPQROEFDKIDVRL-KRWDZBQOSA-N -1 3 351.385 3.277 20 0 FGADHM C[C@@H]1CN(c2ccc(Nc3cccc(F)c3-c3nnn[n-]3)cc2)C[C@H](C)O1 ZINC000736290539 598243128 /nfs/dbraw/zinc/24/31/28/598243128.db2.gz BGHXPAFDZUPCII-BETUJISGSA-N -1 3 368.416 3.363 20 0 FGADHM C[C@@H]1CN(c2ccc(Nc3cccc(F)c3-c3nn[n-]n3)cc2)C[C@H](C)O1 ZINC000736290539 598243130 /nfs/dbraw/zinc/24/31/30/598243130.db2.gz BGHXPAFDZUPCII-BETUJISGSA-N -1 3 368.416 3.363 20 0 FGADHM C[C@H]1CCC[C@@H]1Nc1c(-c2nnn[n-]2)cnc2ccc(OC(F)F)cc21 ZINC000736263369 598244911 /nfs/dbraw/zinc/24/49/11/598244911.db2.gz PSFUIAOCEZYADZ-ZANVPECISA-N -1 3 360.368 3.039 20 0 FGADHM C[C@H]1CCC[C@@H]1Nc1c(-c2nn[n-]n2)cnc2ccc(OC(F)F)cc21 ZINC000736263369 598244912 /nfs/dbraw/zinc/24/49/12/598244912.db2.gz PSFUIAOCEZYADZ-ZANVPECISA-N -1 3 360.368 3.039 20 0 FGADHM C[C@@H](c1cc(F)ccc1F)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000736196550 598251468 /nfs/dbraw/zinc/25/14/68/598251468.db2.gz JOEMAJSLYITXPW-ZDUSSCGKSA-N -1 3 370.407 3.028 20 0 FGADHM C[C@@H](c1cc(F)ccc1F)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000736196550 598251469 /nfs/dbraw/zinc/25/14/69/598251469.db2.gz JOEMAJSLYITXPW-ZDUSSCGKSA-N -1 3 370.407 3.028 20 0 FGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)N(Cc1ccco1)C1CCCC1 ZINC000738103077 598269707 /nfs/dbraw/zinc/26/97/07/598269707.db2.gz YWQPASVJCDXKRY-UHFFFAOYSA-N -1 3 366.425 3.114 20 0 FGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)N(Cc1ccco1)C1CCCC1 ZINC000738103077 598269708 /nfs/dbraw/zinc/26/97/08/598269708.db2.gz YWQPASVJCDXKRY-UHFFFAOYSA-N -1 3 366.425 3.114 20 0 FGADHM Cc1nc(CCNc2ccc(C(F)(F)F)c(-c3nnn[n-]3)c2)cs1 ZINC000822440749 607346977 /nfs/dbraw/zinc/34/69/77/607346977.db2.gz PWFOOCJFGCOLFI-UHFFFAOYSA-N -1 3 354.361 3.305 20 0 FGADHM Cc1nc(CCNc2ccc(C(F)(F)F)c(-c3nn[n-]n3)c2)cs1 ZINC000822440749 607346979 /nfs/dbraw/zinc/34/69/79/607346979.db2.gz PWFOOCJFGCOLFI-UHFFFAOYSA-N -1 3 354.361 3.305 20 0 FGADHM Cc1cc(C)c(-c2nnn[n-]2)c(S[C@@H](C)C(=O)Nc2cccc(F)c2)n1 ZINC000737240732 598271466 /nfs/dbraw/zinc/27/14/66/598271466.db2.gz MHSPSLOPOUTVRP-NSHDSACASA-N -1 3 372.429 3.137 20 0 FGADHM Cc1cc(C)c(-c2nn[n-]n2)c(S[C@@H](C)C(=O)Nc2cccc(F)c2)n1 ZINC000737240732 598271468 /nfs/dbraw/zinc/27/14/68/598271468.db2.gz MHSPSLOPOUTVRP-NSHDSACASA-N -1 3 372.429 3.137 20 0 FGADHM CN(CCOc1ccccc1)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000736802945 598274309 /nfs/dbraw/zinc/27/43/09/598274309.db2.gz ZBVGPAVRUGMKKO-UHFFFAOYSA-N -1 3 363.343 3.401 20 0 FGADHM CN(CCOc1ccccc1)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000736802945 598274311 /nfs/dbraw/zinc/27/43/11/598274311.db2.gz ZBVGPAVRUGMKKO-UHFFFAOYSA-N -1 3 363.343 3.401 20 0 FGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N1CCc2ccccc21 ZINC000735659908 598274615 /nfs/dbraw/zinc/27/46/15/598274615.db2.gz GWGKFAHSGWUROQ-UHFFFAOYSA-N -1 3 351.414 3.018 20 0 FGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N1CCc2ccccc21 ZINC000735659908 598274617 /nfs/dbraw/zinc/27/46/17/598274617.db2.gz GWGKFAHSGWUROQ-UHFFFAOYSA-N -1 3 351.414 3.018 20 0 FGADHM Cc1ccc(CNC(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)cc1 ZINC000737342075 598277013 /nfs/dbraw/zinc/27/70/13/598277013.db2.gz KCDZDLDHRQJNDG-UHFFFAOYSA-N -1 3 353.430 3.053 20 0 FGADHM Cc1ccc(CNC(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)cc1 ZINC000737342075 598277014 /nfs/dbraw/zinc/27/70/14/598277014.db2.gz KCDZDLDHRQJNDG-UHFFFAOYSA-N -1 3 353.430 3.053 20 0 FGADHM COc1ccccc1[C@@H](C)CC(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000737142428 598279019 /nfs/dbraw/zinc/27/90/19/598279019.db2.gz OITXXROXGNOLPL-LBPRGKRZSA-N -1 3 369.400 3.171 20 0 FGADHM COc1ccccc1[C@@H](C)CC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000737142428 598279020 /nfs/dbraw/zinc/27/90/20/598279020.db2.gz OITXXROXGNOLPL-LBPRGKRZSA-N -1 3 369.400 3.171 20 0 FGADHM Cc1nc(C(C)C)sc1C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000737467375 598280797 /nfs/dbraw/zinc/28/07/97/598280797.db2.gz BYGZEIRYQLRZCD-UHFFFAOYSA-N -1 3 360.418 3.171 20 0 FGADHM Cc1nc(C(C)C)sc1C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000737467375 598280798 /nfs/dbraw/zinc/28/07/98/598280798.db2.gz BYGZEIRYQLRZCD-UHFFFAOYSA-N -1 3 360.418 3.171 20 0 FGADHM C[C@H](NC(=O)NCc1ccc(F)c(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736118237 598284708 /nfs/dbraw/zinc/28/47/08/598284708.db2.gz LTYHDOVNFVMYAD-JTQLQIEISA-N -1 3 374.807 3.220 20 0 FGADHM C[C@H](NC(=O)NCc1ccc(F)c(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736118237 598284710 /nfs/dbraw/zinc/28/47/10/598284710.db2.gz LTYHDOVNFVMYAD-JTQLQIEISA-N -1 3 374.807 3.220 20 0 FGADHM COC(=O)c1coc(-c2csc(Nc3ccc(-c4nn[n-]n4)cc3)n2)c1 ZINC000736956037 598284786 /nfs/dbraw/zinc/28/47/86/598284786.db2.gz CLLZPMZXMCNZCY-UHFFFAOYSA-N -1 3 368.378 3.113 20 0 FGADHM C[C@@H](NC(=O)[C@@H]1CCCc2sccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000820321815 607347394 /nfs/dbraw/zinc/34/73/94/607347394.db2.gz MTXPNXDTNMOIHP-IAQYHMDHSA-N -1 3 353.451 3.226 20 0 FGADHM C[C@@H](NC(=O)[C@@H]1CCCc2sccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000820321815 607347396 /nfs/dbraw/zinc/34/73/96/607347396.db2.gz MTXPNXDTNMOIHP-IAQYHMDHSA-N -1 3 353.451 3.226 20 0 FGADHM Fc1cc(-c2nnn[n-]2)ccc1CNC(=S)Nc1ccccc1Cl ZINC000737639206 598297974 /nfs/dbraw/zinc/29/79/74/598297974.db2.gz MUJMWKTUVIIXKP-UHFFFAOYSA-N -1 3 362.821 3.146 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1CNC(=S)Nc1ccccc1Cl ZINC000737639206 598297976 /nfs/dbraw/zinc/29/79/76/598297976.db2.gz MUJMWKTUVIIXKP-UHFFFAOYSA-N -1 3 362.821 3.146 20 0 FGADHM Cc1nnc(N2Cc3ccccc3-c3ccccc3C2)c(-c2nnn[n-]2)c1C ZINC000737523450 598299286 /nfs/dbraw/zinc/29/92/86/598299286.db2.gz XTFXCOBPKQFBQX-UHFFFAOYSA-N -1 3 369.432 3.461 20 0 FGADHM Cc1nnc(N2Cc3ccccc3-c3ccccc3C2)c(-c2nn[n-]n2)c1C ZINC000737523450 598299287 /nfs/dbraw/zinc/29/92/87/598299287.db2.gz XTFXCOBPKQFBQX-UHFFFAOYSA-N -1 3 369.432 3.461 20 0 FGADHM CCCCc1ccc(CC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000736465143 598304546 /nfs/dbraw/zinc/30/45/46/598304546.db2.gz BDPLHDNALWSOHR-UHFFFAOYSA-N -1 3 367.428 3.207 20 0 FGADHM CCCCc1ccc(CC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000736465143 598304547 /nfs/dbraw/zinc/30/45/47/598304547.db2.gz BDPLHDNALWSOHR-UHFFFAOYSA-N -1 3 367.428 3.207 20 0 FGADHM Fc1cc(-c2nnn[n-]2)ccc1CNCc1ccc(CSC(F)F)o1 ZINC000737638283 598314920 /nfs/dbraw/zinc/31/49/20/598314920.db2.gz FUPMYAJAYBZJAQ-UHFFFAOYSA-N -1 3 369.372 3.344 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1CNCc1ccc(CSC(F)F)o1 ZINC000737638283 598314922 /nfs/dbraw/zinc/31/49/22/598314922.db2.gz FUPMYAJAYBZJAQ-UHFFFAOYSA-N -1 3 369.372 3.344 20 0 FGADHM CN(Cc1cccs1)C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736829190 598316818 /nfs/dbraw/zinc/31/68/18/598316818.db2.gz VTABHPILAHBGPF-UHFFFAOYSA-N -1 3 364.887 3.410 20 0 FGADHM CN(Cc1cccs1)C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736829190 598316820 /nfs/dbraw/zinc/31/68/20/598316820.db2.gz VTABHPILAHBGPF-UHFFFAOYSA-N -1 3 364.887 3.410 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=S)N[C@H](C)c1cccs1 ZINC000736635813 598322251 /nfs/dbraw/zinc/32/22/51/598322251.db2.gz ZRXBSIGPOSCRSS-SNVBAGLBSA-N -1 3 374.495 3.375 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=S)N[C@H](C)c1cccs1 ZINC000736635813 598322254 /nfs/dbraw/zinc/32/22/54/598322254.db2.gz ZRXBSIGPOSCRSS-SNVBAGLBSA-N -1 3 374.495 3.375 20 0 FGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)Nc1cccc2c1CCCC2 ZINC000738100751 598323068 /nfs/dbraw/zinc/32/30/68/598323068.db2.gz SJHGAZHLYKLJJO-UHFFFAOYSA-N -1 3 366.400 3.206 20 0 FGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)Nc1cccc2c1CCCC2 ZINC000738100751 598323070 /nfs/dbraw/zinc/32/30/70/598323070.db2.gz SJHGAZHLYKLJJO-UHFFFAOYSA-N -1 3 366.400 3.206 20 0 FGADHM S=C(NC[C@H]1Cc2ccccc21)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000738400950 598323265 /nfs/dbraw/zinc/32/32/65/598323265.db2.gz LJAXFJWUHBPHTH-LLVKDONJSA-N -1 3 370.869 3.146 20 0 FGADHM S=C(NC[C@H]1Cc2ccccc21)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000738400950 598323267 /nfs/dbraw/zinc/32/32/67/598323267.db2.gz LJAXFJWUHBPHTH-LLVKDONJSA-N -1 3 370.869 3.146 20 0 FGADHM C[C@H]1CCCN(C(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000736266733 598323719 /nfs/dbraw/zinc/32/37/19/598323719.db2.gz ORVDRYOHIDULKK-JTQLQIEISA-N -1 3 350.879 3.339 20 0 FGADHM C[C@H]1CCCN(C(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000736266733 598323720 /nfs/dbraw/zinc/32/37/20/598323720.db2.gz ORVDRYOHIDULKK-JTQLQIEISA-N -1 3 350.879 3.339 20 0 FGADHM Cc1ccccc1C1(CNC(=O)C=Cc2ccccc2-c2nnn[n-]2)CC1 ZINC000737420166 598328645 /nfs/dbraw/zinc/32/86/45/598328645.db2.gz JDHFMXJJEHTYKL-ZHACJKMWSA-N -1 3 359.433 3.036 20 0 FGADHM Cc1ccccc1C1(CNC(=O)C=Cc2ccccc2-c2nn[n-]n2)CC1 ZINC000737420166 598328647 /nfs/dbraw/zinc/32/86/47/598328647.db2.gz JDHFMXJJEHTYKL-ZHACJKMWSA-N -1 3 359.433 3.036 20 0 FGADHM CCCN(Cc1ccccc1)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000736478624 598328664 /nfs/dbraw/zinc/32/86/64/598328664.db2.gz AQSOWSUEXONBSX-UHFFFAOYSA-N -1 3 368.416 3.128 20 0 FGADHM CCCN(Cc1ccccc1)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000736478624 598328666 /nfs/dbraw/zinc/32/86/66/598328666.db2.gz AQSOWSUEXONBSX-UHFFFAOYSA-N -1 3 368.416 3.128 20 0 FGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1nccc2ccccc21 ZINC000735874968 598331800 /nfs/dbraw/zinc/33/18/00/598331800.db2.gz XGBWWRLNFKTBEZ-UHFFFAOYSA-N -1 3 372.432 3.466 20 0 FGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1nccc2ccccc21 ZINC000735874968 598331801 /nfs/dbraw/zinc/33/18/01/598331801.db2.gz XGBWWRLNFKTBEZ-UHFFFAOYSA-N -1 3 372.432 3.466 20 0 FGADHM COc1ccc(C(C)(C)CNc2ccc(-c3nn[n-]n3)cc2)cc1OC ZINC000737073763 598363085 /nfs/dbraw/zinc/36/30/85/598363085.db2.gz SRBBGQYKGBEGED-UHFFFAOYSA-N -1 3 353.426 3.274 20 0 FGADHM Clc1cc(-c2nnn[n-]2)cnc1NCc1cccnc1OC1CCCC1 ZINC000737557671 598390050 /nfs/dbraw/zinc/39/00/50/598390050.db2.gz HFGRVGRKWCHEIE-UHFFFAOYSA-N -1 3 371.832 3.244 20 0 FGADHM Clc1cc(-c2nn[n-]n2)cnc1NCc1cccnc1OC1CCCC1 ZINC000737557671 598390052 /nfs/dbraw/zinc/39/00/52/598390052.db2.gz HFGRVGRKWCHEIE-UHFFFAOYSA-N -1 3 371.832 3.244 20 0 FGADHM Cc1ccc2c(c1)[C@H](NC(=O)N(C)Cc1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000737371757 598393242 /nfs/dbraw/zinc/39/32/42/598393242.db2.gz KWPFPSNQNFXYMK-GOSISDBHSA-N -1 3 362.437 3.004 20 0 FGADHM Cc1ccc2c(c1)[C@H](NC(=O)N(C)Cc1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000737371757 598393243 /nfs/dbraw/zinc/39/32/43/598393243.db2.gz KWPFPSNQNFXYMK-GOSISDBHSA-N -1 3 362.437 3.004 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1OCC(=O)N[C@@H](C)c1ccccc1Cl ZINC000737221866 598394935 /nfs/dbraw/zinc/39/49/35/598394935.db2.gz QIZLMNLJOMFICV-LBPRGKRZSA-N -1 3 371.828 3.085 20 0 FGADHM O=C(NC1CCC1)c1ccccc1SCc1ccc(-c2nnn[n-]2)cc1 ZINC000738022697 598426349 /nfs/dbraw/zinc/42/63/49/598426349.db2.gz FWZXJROOCVJMNG-UHFFFAOYSA-N -1 3 365.462 3.441 20 0 FGADHM O=C(NC1CCC1)c1ccccc1SCc1ccc(-c2nn[n-]n2)cc1 ZINC000738022697 598426351 /nfs/dbraw/zinc/42/63/51/598426351.db2.gz FWZXJROOCVJMNG-UHFFFAOYSA-N -1 3 365.462 3.441 20 0 FGADHM Cc1cccc(CNC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)c1 ZINC000737393811 598428411 /nfs/dbraw/zinc/42/84/11/598428411.db2.gz LYISNXIKHWUVMH-UHFFFAOYSA-N -1 3 364.453 3.295 20 0 FGADHM Cc1cccc(CNC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)c1 ZINC000737393811 598428412 /nfs/dbraw/zinc/42/84/12/598428412.db2.gz LYISNXIKHWUVMH-UHFFFAOYSA-N -1 3 364.453 3.295 20 0 FGADHM Cc1cc(C)cc([C@H](C)NC(=O)NCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737251257 598430294 /nfs/dbraw/zinc/43/02/94/598430294.db2.gz DHSJQXLNXLWITD-AWEZNQCLSA-N -1 3 350.426 3.044 20 0 FGADHM Cc1cc(C)cc([C@H](C)NC(=O)NCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737251257 598430297 /nfs/dbraw/zinc/43/02/97/598430297.db2.gz DHSJQXLNXLWITD-AWEZNQCLSA-N -1 3 350.426 3.044 20 0 FGADHM CC[C@@](C)(NC(=S)Nc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000736314560 598434859 /nfs/dbraw/zinc/43/48/59/598434859.db2.gz DWELFFOSELXQRY-GOSISDBHSA-N -1 3 352.467 3.479 20 0 FGADHM CC[C@@](C)(NC(=S)Nc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000736314560 598434860 /nfs/dbraw/zinc/43/48/60/598434860.db2.gz DWELFFOSELXQRY-GOSISDBHSA-N -1 3 352.467 3.479 20 0 FGADHM CSCc1ccc(NC(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000737182293 598450207 /nfs/dbraw/zinc/45/02/07/598450207.db2.gz QGUGQPUZIZFAKY-GFCCVEGCSA-N -1 3 369.450 3.136 20 0 FGADHM CSCc1ccc(NC(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000737182293 598450208 /nfs/dbraw/zinc/45/02/08/598450208.db2.gz QGUGQPUZIZFAKY-GFCCVEGCSA-N -1 3 369.450 3.136 20 0 FGADHM Fc1cc(-c2nnn[n-]2)ccc1CNc1ccc(-n2cccn2)c(Cl)c1 ZINC000737640141 598459549 /nfs/dbraw/zinc/45/95/49/598459549.db2.gz KYNIWOVZWDMEIV-UHFFFAOYSA-N -1 3 369.791 3.457 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1CNc1ccc(-n2cccn2)c(Cl)c1 ZINC000737640141 598459550 /nfs/dbraw/zinc/45/95/50/598459550.db2.gz KYNIWOVZWDMEIV-UHFFFAOYSA-N -1 3 369.791 3.457 20 0 FGADHM CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000736390714 598461762 /nfs/dbraw/zinc/46/17/62/598461762.db2.gz JKKUQIVUYNNICI-WMZOPIPTSA-N -1 3 362.437 3.060 20 0 FGADHM CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000736390714 598461763 /nfs/dbraw/zinc/46/17/63/598461763.db2.gz JKKUQIVUYNNICI-WMZOPIPTSA-N -1 3 362.437 3.060 20 0 FGADHM C[C@H](OC(=O)c1cnc(-c2ccccc2)nc1)c1cccc(-c2nnn[n-]2)c1 ZINC000736164172 598483141 /nfs/dbraw/zinc/48/31/41/598483141.db2.gz UXEINEXYPDGSAJ-ZDUSSCGKSA-N -1 3 372.388 3.242 20 0 FGADHM C[C@H](OC(=O)c1cnc(-c2ccccc2)nc1)c1cccc(-c2nn[n-]n2)c1 ZINC000736164172 598483143 /nfs/dbraw/zinc/48/31/43/598483143.db2.gz UXEINEXYPDGSAJ-ZDUSSCGKSA-N -1 3 372.388 3.242 20 0 FGADHM CC(C)Oc1cccc(OC(=O)C=Cc2ccccc2-c2nnn[n-]2)c1 ZINC000735912850 598486149 /nfs/dbraw/zinc/48/61/49/598486149.db2.gz INYQNPOOPQULTN-KHPPLWFESA-N -1 3 350.378 3.273 20 0 FGADHM CC(C)Oc1cccc(OC(=O)C=Cc2ccccc2-c2nn[n-]n2)c1 ZINC000735912850 598486151 /nfs/dbraw/zinc/48/61/51/598486151.db2.gz INYQNPOOPQULTN-KHPPLWFESA-N -1 3 350.378 3.273 20 0 FGADHM Cc1noc(C)c1CSCC(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000737537301 598488483 /nfs/dbraw/zinc/48/84/83/598488483.db2.gz NJZRDEGKXXBRQE-LLVKDONJSA-N -1 3 373.438 3.009 20 0 FGADHM Cc1noc(C)c1CSCC(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000737537301 598488485 /nfs/dbraw/zinc/48/84/85/598488485.db2.gz NJZRDEGKXXBRQE-LLVKDONJSA-N -1 3 373.438 3.009 20 0 FGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)[C@H]1Cc2ccccc2S1 ZINC000735655339 598489291 /nfs/dbraw/zinc/48/92/91/598489291.db2.gz NARMFGXXTWCHOK-CQSZACIVSA-N -1 3 368.466 3.079 20 0 FGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)[C@H]1Cc2ccccc2S1 ZINC000735655339 598489292 /nfs/dbraw/zinc/48/92/92/598489292.db2.gz NARMFGXXTWCHOK-CQSZACIVSA-N -1 3 368.466 3.079 20 0 FGADHM CCSc1ccc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCC3)cn1 ZINC000736665235 598514032 /nfs/dbraw/zinc/51/40/32/598514032.db2.gz GEDGCNCFIDUFCF-UHFFFAOYSA-N -1 3 372.479 3.176 20 0 FGADHM CCSc1ccc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)cn1 ZINC000736665235 598514034 /nfs/dbraw/zinc/51/40/34/598514034.db2.gz GEDGCNCFIDUFCF-UHFFFAOYSA-N -1 3 372.479 3.176 20 0 FGADHM CCc1c(C)sc(NC(=O)c2ccc(N(C)C)cc2)c1-c1nnn[n-]1 ZINC000736676444 598519285 /nfs/dbraw/zinc/51/92/85/598519285.db2.gz VBUFTLLCXRDIPW-UHFFFAOYSA-N -1 3 356.455 3.117 20 0 FGADHM CCc1c(C)sc(NC(=O)c2ccc(N(C)C)cc2)c1-c1nn[n-]n1 ZINC000736676444 598519286 /nfs/dbraw/zinc/51/92/86/598519286.db2.gz VBUFTLLCXRDIPW-UHFFFAOYSA-N -1 3 356.455 3.117 20 0 FGADHM CCCC[C@@H]1CCC[C@H]1NC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000736440298 598519620 /nfs/dbraw/zinc/51/96/20/598519620.db2.gz BZFRONDMTOCOFM-SQWLQELKSA-N -1 3 357.458 3.109 20 0 FGADHM CCCC[C@@H]1CCC[C@H]1NC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000736440298 598519622 /nfs/dbraw/zinc/51/96/22/598519622.db2.gz BZFRONDMTOCOFM-SQWLQELKSA-N -1 3 357.458 3.109 20 0 FGADHM CCCC[C@@H]1CCC[C@@H]1NC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736442245 598528589 /nfs/dbraw/zinc/52/85/89/598528589.db2.gz VXWUPPOOJNAPFK-WBVHZDCISA-N -1 3 356.474 3.367 20 0 FGADHM CCCC[C@@H]1CCC[C@@H]1NC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736442245 598528591 /nfs/dbraw/zinc/52/85/91/598528591.db2.gz VXWUPPOOJNAPFK-WBVHZDCISA-N -1 3 356.474 3.367 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)Cc1cc(C)ccc1C ZINC000736628562 598538897 /nfs/dbraw/zinc/53/88/97/598538897.db2.gz PHOAIQSAARJQIE-UHFFFAOYSA-N -1 3 352.394 3.030 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)Cc1cc(C)ccc1C ZINC000736628562 598538898 /nfs/dbraw/zinc/53/88/98/598538898.db2.gz PHOAIQSAARJQIE-UHFFFAOYSA-N -1 3 352.394 3.030 20 0 FGADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1cc(F)ccc1Cl ZINC000736182966 598543326 /nfs/dbraw/zinc/54/33/26/598543326.db2.gz IFONLFASIWCVGZ-SECBINFHSA-N -1 3 361.764 3.065 20 0 FGADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1cc(F)ccc1Cl ZINC000736182966 598543329 /nfs/dbraw/zinc/54/33/29/598543329.db2.gz IFONLFASIWCVGZ-SECBINFHSA-N -1 3 361.764 3.065 20 0 FGADHM Cc1cccc(CCC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)c1 ZINC000737391560 598545237 /nfs/dbraw/zinc/54/52/37/598545237.db2.gz FBRKAXYOBMEEOW-UHFFFAOYSA-N -1 3 373.363 3.348 20 0 FGADHM Cc1cccc(CCC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)c1 ZINC000737391560 598545239 /nfs/dbraw/zinc/54/52/39/598545239.db2.gz FBRKAXYOBMEEOW-UHFFFAOYSA-N -1 3 373.363 3.348 20 0 FGADHM Cn1c(COc2ccc(-c3nnn[n-]3)c(F)c2)nc2cc(Cl)ccc21 ZINC000737590312 598546824 /nfs/dbraw/zinc/54/68/24/598546824.db2.gz HYOGWESIOWORMH-UHFFFAOYSA-N -1 3 358.764 3.125 20 0 FGADHM Cn1c(COc2ccc(-c3nn[n-]n3)c(F)c2)nc2cc(Cl)ccc21 ZINC000737590312 598546826 /nfs/dbraw/zinc/54/68/26/598546826.db2.gz HYOGWESIOWORMH-UHFFFAOYSA-N -1 3 358.764 3.125 20 0 FGADHM Cc1ccc(CC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)cc1C ZINC000737328051 598546969 /nfs/dbraw/zinc/54/69/69/598546969.db2.gz AZYSAFYNXYBNBH-UHFFFAOYSA-N -1 3 373.363 3.266 20 0 FGADHM Cc1ccc(CC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)cc1C ZINC000737328051 598546970 /nfs/dbraw/zinc/54/69/70/598546970.db2.gz AZYSAFYNXYBNBH-UHFFFAOYSA-N -1 3 373.363 3.266 20 0 FGADHM Fc1cc(OCc2nc(-c3cccc(Cl)c3)no2)ccc1-c1nnn[n-]1 ZINC000737651592 598547955 /nfs/dbraw/zinc/54/79/55/598547955.db2.gz LFYVJZAPBVKIOR-UHFFFAOYSA-N -1 3 372.747 3.288 20 0 FGADHM Fc1cc(OCc2nc(-c3cccc(Cl)c3)no2)ccc1-c1nn[n-]n1 ZINC000737651592 598547957 /nfs/dbraw/zinc/54/79/57/598547957.db2.gz LFYVJZAPBVKIOR-UHFFFAOYSA-N -1 3 372.747 3.288 20 0 FGADHM CCNC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000736576614 598558825 /nfs/dbraw/zinc/55/88/25/598558825.db2.gz WMGMQLOUXSZZRX-UHFFFAOYSA-N -1 3 372.816 3.241 20 0 FGADHM CCNC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000736576614 598558827 /nfs/dbraw/zinc/55/88/27/598558827.db2.gz WMGMQLOUXSZZRX-UHFFFAOYSA-N -1 3 372.816 3.241 20 0 FGADHM CC(C)COc1ccccc1C(=O)OCc1cc(-c2nnn[n-]2)ccc1F ZINC000735843874 598563219 /nfs/dbraw/zinc/56/32/19/598563219.db2.gz COEUMTXASXUYJQ-UHFFFAOYSA-N -1 3 370.384 3.398 20 0 FGADHM CC(C)COc1ccccc1C(=O)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000735843874 598563221 /nfs/dbraw/zinc/56/32/21/598563221.db2.gz COEUMTXASXUYJQ-UHFFFAOYSA-N -1 3 370.384 3.398 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)c1ccc(Cl)cc1F ZINC000736627864 598565603 /nfs/dbraw/zinc/56/56/03/598565603.db2.gz ONFABSCKNULPGM-UHFFFAOYSA-N -1 3 362.748 3.277 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)c1ccc(Cl)cc1F ZINC000736627864 598565605 /nfs/dbraw/zinc/56/56/05/598565605.db2.gz ONFABSCKNULPGM-UHFFFAOYSA-N -1 3 362.748 3.277 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000738162700 598570034 /nfs/dbraw/zinc/57/00/34/598570034.db2.gz LLMGNGFFEKPMCY-GHMZBOCLSA-N -1 3 359.311 3.026 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000738162700 598570036 /nfs/dbraw/zinc/57/00/36/598570036.db2.gz LLMGNGFFEKPMCY-GHMZBOCLSA-N -1 3 359.311 3.026 20 0 FGADHM Cc1ccc(-c2nc(C)c(C(=O)Nc3ccccc3-c3nnn[n-]3)s2)o1 ZINC000737288453 598573051 /nfs/dbraw/zinc/57/30/51/598573051.db2.gz NCWIUYWPAQWJSD-UHFFFAOYSA-N -1 3 366.406 3.452 20 0 FGADHM Cc1ccc(-c2nc(C)c(C(=O)Nc3ccccc3-c3nn[n-]n3)s2)o1 ZINC000737288453 598573054 /nfs/dbraw/zinc/57/30/54/598573054.db2.gz NCWIUYWPAQWJSD-UHFFFAOYSA-N -1 3 366.406 3.452 20 0 FGADHM O=C(Nc1ccccc1-c1nnn[n-]1)c1ccc(F)c(C(F)(F)F)c1 ZINC000738191056 598573706 /nfs/dbraw/zinc/57/37/06/598573706.db2.gz IHROBBLSGVNSLK-UHFFFAOYSA-N -1 3 351.263 3.277 20 0 FGADHM O=C(Nc1ccccc1-c1nn[n-]n1)c1ccc(F)c(C(F)(F)F)c1 ZINC000738191056 598573708 /nfs/dbraw/zinc/57/37/08/598573708.db2.gz IHROBBLSGVNSLK-UHFFFAOYSA-N -1 3 351.263 3.277 20 0 FGADHM CCOCCC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000736609502 598581927 /nfs/dbraw/zinc/58/19/27/598581927.db2.gz BGFYCTHAKPCIAQ-UHFFFAOYSA-N -1 3 367.409 3.333 20 0 FGADHM CCOCCC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000736609502 598581929 /nfs/dbraw/zinc/58/19/29/598581929.db2.gz BGFYCTHAKPCIAQ-UHFFFAOYSA-N -1 3 367.409 3.333 20 0 FGADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1F)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000738232155 598584390 /nfs/dbraw/zinc/58/43/90/598584390.db2.gz PVNIBCVWYVINHQ-OLZOCXBDSA-N -1 3 374.322 3.131 20 0 FGADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1F)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000738232155 598584391 /nfs/dbraw/zinc/58/43/91/598584391.db2.gz PVNIBCVWYVINHQ-OLZOCXBDSA-N -1 3 374.322 3.131 20 0 FGADHM Cc1ccc(C(=O)CCC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1C ZINC000737306531 598584997 /nfs/dbraw/zinc/58/49/97/598584997.db2.gz CCMRYUOPVVUYPG-UHFFFAOYSA-N -1 3 367.384 3.224 20 0 FGADHM Cc1ccc(C(=O)CCC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1C ZINC000737306531 598584999 /nfs/dbraw/zinc/58/49/99/598584999.db2.gz CCMRYUOPVVUYPG-UHFFFAOYSA-N -1 3 367.384 3.224 20 0 FGADHM O=C(C=Cc1nc2ccccc2s1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737805943 598590884 /nfs/dbraw/zinc/59/08/84/598590884.db2.gz JMENSIFAUDAADW-FPLPWBNLSA-N -1 3 366.381 3.267 20 0 FGADHM O=C(C=Cc1nc2ccccc2s1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737805943 598590886 /nfs/dbraw/zinc/59/08/86/598590886.db2.gz JMENSIFAUDAADW-FPLPWBNLSA-N -1 3 366.381 3.267 20 0 FGADHM Cc1cc(Cl)ccc1NC(=O)CNc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737262227 598603513 /nfs/dbraw/zinc/60/35/13/598603513.db2.gz CXBGOPGZYICYBY-UHFFFAOYSA-N -1 3 360.780 3.018 20 0 FGADHM Cc1cc(Cl)ccc1NC(=O)CNc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737262227 598603514 /nfs/dbraw/zinc/60/35/14/598603514.db2.gz CXBGOPGZYICYBY-UHFFFAOYSA-N -1 3 360.780 3.018 20 0 FGADHM CCC[C@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1)C1CCCCC1 ZINC000736431417 598607581 /nfs/dbraw/zinc/60/75/81/598607581.db2.gz DQZDVHYERJTYLG-KRWDZBQOSA-N -1 3 356.474 3.415 20 0 FGADHM CCC[C@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1)C1CCCCC1 ZINC000736431417 598607583 /nfs/dbraw/zinc/60/75/83/598607583.db2.gz DQZDVHYERJTYLG-KRWDZBQOSA-N -1 3 356.474 3.415 20 0 FGADHM O=C(N[C@H]1CCCC[C@H]1Cc1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000738026685 598609916 /nfs/dbraw/zinc/60/99/16/598609916.db2.gz UJBRYVXFOYDFEZ-LPHOPBHVSA-N -1 3 361.449 3.398 20 0 FGADHM O=C(N[C@H]1CCCC[C@H]1Cc1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000738026685 598609917 /nfs/dbraw/zinc/60/99/17/598609917.db2.gz UJBRYVXFOYDFEZ-LPHOPBHVSA-N -1 3 361.449 3.398 20 0 FGADHM Clc1ccccc1Cc1noc(COc2ccccc2-c2nnn[n-]2)n1 ZINC000737584471 598610022 /nfs/dbraw/zinc/61/00/22/598610022.db2.gz QJIWIDPVWQFTHB-UHFFFAOYSA-N -1 3 368.784 3.073 20 0 FGADHM Clc1ccccc1Cc1noc(COc2ccccc2-c2nn[n-]n2)n1 ZINC000737584471 598610025 /nfs/dbraw/zinc/61/00/25/598610025.db2.gz QJIWIDPVWQFTHB-UHFFFAOYSA-N -1 3 368.784 3.073 20 0 FGADHM c1cnc2c(c1)cccc2Cc1noc(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000738446285 598610852 /nfs/dbraw/zinc/61/08/52/598610852.db2.gz UCBSHGGDWZSSJI-UHFFFAOYSA-N -1 3 355.361 3.056 20 0 FGADHM c1cnc2c(c1)cccc2Cc1noc(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000738446285 598610853 /nfs/dbraw/zinc/61/08/53/598610853.db2.gz UCBSHGGDWZSSJI-UHFFFAOYSA-N -1 3 355.361 3.056 20 0 FGADHM Fc1cccc(CN(Cc2ccno2)Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737659232 598622183 /nfs/dbraw/zinc/62/21/83/598622183.db2.gz BGEXCNHOPUPJAY-UHFFFAOYSA-N -1 3 364.384 3.196 20 0 FGADHM Fc1cccc(CN(Cc2ccno2)Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737659232 598622185 /nfs/dbraw/zinc/62/21/85/598622185.db2.gz BGEXCNHOPUPJAY-UHFFFAOYSA-N -1 3 364.384 3.196 20 0 FGADHM CCc1ccc([C@@H](C)NC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000736682974 598624294 /nfs/dbraw/zinc/62/42/94/598624294.db2.gz CXCGDGRVJRHZQT-LLVKDONJSA-N -1 3 354.389 3.451 20 0 FGADHM CCc1ccc([C@@H](C)NC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000736682974 598624296 /nfs/dbraw/zinc/62/42/96/598624296.db2.gz CXCGDGRVJRHZQT-LLVKDONJSA-N -1 3 354.389 3.451 20 0 FGADHM CN(Cc1cccc(Cl)c1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736827317 598624540 /nfs/dbraw/zinc/62/45/40/598624540.db2.gz AJNVGLSHRSEBOX-UHFFFAOYSA-N -1 3 360.780 3.323 20 0 FGADHM CN(Cc1cccc(Cl)c1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736827317 598624542 /nfs/dbraw/zinc/62/45/42/598624542.db2.gz AJNVGLSHRSEBOX-UHFFFAOYSA-N -1 3 360.780 3.323 20 0 FGADHM CC[C@H](CNC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000736351564 598627371 /nfs/dbraw/zinc/62/73/71/598627371.db2.gz SRGJYRYWPPACOA-GFCCVEGCSA-N -1 3 354.389 3.321 20 0 FGADHM CC[C@H](CNC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000736351564 598627373 /nfs/dbraw/zinc/62/73/73/598627373.db2.gz SRGJYRYWPPACOA-GFCCVEGCSA-N -1 3 354.389 3.321 20 0 FGADHM COc1ccc([C@H](C)N(C)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000737070699 598630988 /nfs/dbraw/zinc/63/09/88/598630988.db2.gz AIQJUIFSMDKOKK-NSHDSACASA-N -1 3 370.388 3.239 20 0 FGADHM COc1ccc([C@H](C)N(C)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000737070699 598630990 /nfs/dbraw/zinc/63/09/90/598630990.db2.gz AIQJUIFSMDKOKK-NSHDSACASA-N -1 3 370.388 3.239 20 0 FGADHM O[C@@H](CNc1cc(Cl)ccc1-c1nnn[n-]1)c1ccc(Cl)cc1 ZINC000738382584 598634150 /nfs/dbraw/zinc/63/41/50/598634150.db2.gz LTXNLRRSDDLYHW-AWEZNQCLSA-N -1 3 350.209 3.319 20 0 FGADHM O[C@@H](CNc1cc(Cl)ccc1-c1nn[n-]n1)c1ccc(Cl)cc1 ZINC000738382584 598634151 /nfs/dbraw/zinc/63/41/51/598634151.db2.gz LTXNLRRSDDLYHW-AWEZNQCLSA-N -1 3 350.209 3.319 20 0 FGADHM Fc1ccc(OCc2ccc(F)cc2-c2nnn[n-]2)c(Br)c1 ZINC000737656952 598643779 /nfs/dbraw/zinc/64/37/79/598643779.db2.gz RCPPMNYZIXZFGF-UHFFFAOYSA-N -1 3 367.153 3.486 20 0 FGADHM Fc1ccc(OCc2ccc(F)cc2-c2nn[n-]n2)c(Br)c1 ZINC000737656952 598643781 /nfs/dbraw/zinc/64/37/81/598643781.db2.gz RCPPMNYZIXZFGF-UHFFFAOYSA-N -1 3 367.153 3.486 20 0 FGADHM Fc1ccc(-c2nc(CSc3cc(-c4nnn[n-]4)ccn3)co2)cc1F ZINC000737653412 598645145 /nfs/dbraw/zinc/64/51/45/598645145.db2.gz RHRGLDMRCCAYQG-UHFFFAOYSA-N -1 3 372.360 3.487 20 0 FGADHM Fc1ccc(-c2nc(CSc3cc(-c4nn[n-]n4)ccn3)co2)cc1F ZINC000737653412 598645147 /nfs/dbraw/zinc/64/51/47/598645147.db2.gz RHRGLDMRCCAYQG-UHFFFAOYSA-N -1 3 372.360 3.487 20 0 FGADHM CN(Cc1cccs1)C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736828499 598646573 /nfs/dbraw/zinc/64/65/73/598646573.db2.gz MQKVVZAIRMDFTG-UHFFFAOYSA-N -1 3 371.466 3.136 20 0 FGADHM CN(Cc1cccs1)C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736828499 598646575 /nfs/dbraw/zinc/64/65/75/598646575.db2.gz MQKVVZAIRMDFTG-UHFFFAOYSA-N -1 3 371.466 3.136 20 0 FGADHM O=C(OCc1cccnc1)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738232916 598648164 /nfs/dbraw/zinc/64/81/64/598648164.db2.gz AVBISDQEKYSBNY-UHFFFAOYSA-N -1 3 373.372 3.411 20 0 FGADHM C[C@@H]1CCC[C@H](NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)C1 ZINC000736254468 598649694 /nfs/dbraw/zinc/64/96/94/598649694.db2.gz RVCCRTSKEUGUCY-ZBFHGGJFSA-N -1 3 357.458 3.111 20 0 FGADHM C[C@@H]1CCC[C@H](NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)C1 ZINC000736254468 598649696 /nfs/dbraw/zinc/64/96/96/598649696.db2.gz RVCCRTSKEUGUCY-ZBFHGGJFSA-N -1 3 357.458 3.111 20 0 FGADHM C[C@@H](CSc1ccccc1)C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736047540 598649740 /nfs/dbraw/zinc/64/97/40/598649740.db2.gz RGNHOIMDKQITKI-UONOGXRCSA-N -1 3 367.478 3.472 20 0 FGADHM C[C@@H](CSc1ccccc1)C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736047540 598649741 /nfs/dbraw/zinc/64/97/41/598649741.db2.gz RGNHOIMDKQITKI-UONOGXRCSA-N -1 3 367.478 3.472 20 0 FGADHM O=C(CCc1ccc(Cl)c(Cl)c1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000737852044 598662010 /nfs/dbraw/zinc/66/20/10/598662010.db2.gz APIIQVJPGQEOGV-UHFFFAOYSA-N -1 3 363.208 3.140 20 0 FGADHM O=C(CCc1ccc(Cl)c(Cl)c1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000737852044 598662012 /nfs/dbraw/zinc/66/20/12/598662012.db2.gz APIIQVJPGQEOGV-UHFFFAOYSA-N -1 3 363.208 3.140 20 0 FGADHM O[C@H](CNc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)cc1Cl ZINC000738385148 598679241 /nfs/dbraw/zinc/67/92/41/598679241.db2.gz WGIAORBNCLIDTO-CQSZACIVSA-N -1 3 350.209 3.319 20 0 FGADHM CCC1CCN(C(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736403101 598684393 /nfs/dbraw/zinc/68/43/93/598684393.db2.gz SHGUYLCFELHQGL-UHFFFAOYSA-N -1 3 357.458 3.064 20 0 FGADHM CCC1CCN(C(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736403101 598684394 /nfs/dbraw/zinc/68/43/94/598684394.db2.gz SHGUYLCFELHQGL-UHFFFAOYSA-N -1 3 357.458 3.064 20 0 FGADHM COc1ccccc1-c1cccc(NC(=O)c2ccc(-c3nnn[n-]3)cn2)c1 ZINC000737144070 598693236 /nfs/dbraw/zinc/69/32/36/598693236.db2.gz ZJUGZBYZJKPBOL-UHFFFAOYSA-N -1 3 372.388 3.190 20 0 FGADHM COc1ccccc1-c1cccc(NC(=O)c2ccc(-c3nn[n-]n3)cn2)c1 ZINC000737144070 598693238 /nfs/dbraw/zinc/69/32/38/598693238.db2.gz ZJUGZBYZJKPBOL-UHFFFAOYSA-N -1 3 372.388 3.190 20 0 FGADHM O=C(CSCc1ccc(F)cc1-c1nnn[n-]1)NC1CCCCCC1 ZINC000737936440 598698407 /nfs/dbraw/zinc/69/84/07/598698407.db2.gz QQDGNRGWFUAYKW-UHFFFAOYSA-N -1 3 363.462 3.078 20 0 FGADHM O=C(CSCc1ccc(F)cc1-c1nn[n-]n1)NC1CCCCCC1 ZINC000737936440 598698409 /nfs/dbraw/zinc/69/84/09/598698409.db2.gz QQDGNRGWFUAYKW-UHFFFAOYSA-N -1 3 363.462 3.078 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)[C@@H]1CCCc2ccccc21 ZINC000738229794 598706727 /nfs/dbraw/zinc/70/67/27/598706727.db2.gz AITIRIVMCVEKCP-MRXNPFEDSA-N -1 3 352.369 3.169 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)[C@@H]1CCCc2ccccc21 ZINC000738229794 598706729 /nfs/dbraw/zinc/70/67/29/598706729.db2.gz AITIRIVMCVEKCP-MRXNPFEDSA-N -1 3 352.369 3.169 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)c1ccc(OCC2CC2)cc1 ZINC000738236056 598710284 /nfs/dbraw/zinc/71/02/84/598710284.db2.gz QSKDJYUXNPJJHT-UHFFFAOYSA-N -1 3 368.368 3.152 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)c1ccc(OCC2CC2)cc1 ZINC000738236056 598710286 /nfs/dbraw/zinc/71/02/86/598710286.db2.gz QSKDJYUXNPJJHT-UHFFFAOYSA-N -1 3 368.368 3.152 20 0 FGADHM C[C@]1(C(=O)OCc2ccc(F)cc2-c2nnn[n-]2)CCCc2ccccc21 ZINC000736208573 598710937 /nfs/dbraw/zinc/71/09/37/598710937.db2.gz YMILMDRNCYPEMT-FQEVSTJZSA-N -1 3 366.396 3.343 20 0 FGADHM C[C@]1(C(=O)OCc2ccc(F)cc2-c2nn[n-]n2)CCCc2ccccc21 ZINC000736208573 598710939 /nfs/dbraw/zinc/71/09/39/598710939.db2.gz YMILMDRNCYPEMT-FQEVSTJZSA-N -1 3 366.396 3.343 20 0 FGADHM C[C@@H](NC(=O)NC(C)(C)c1ccc(F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736110764 598716211 /nfs/dbraw/zinc/71/62/11/598716211.db2.gz CHNTVSQMBFZLBS-GFCCVEGCSA-N -1 3 368.416 3.301 20 0 FGADHM C[C@@H](NC(=O)NC(C)(C)c1ccc(F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736110764 598716214 /nfs/dbraw/zinc/71/62/14/598716214.db2.gz CHNTVSQMBFZLBS-GFCCVEGCSA-N -1 3 368.416 3.301 20 0 FGADHM CCC(=CC(=O)Oc1ccc(-c2nnn[n-]2)cc1OC)c1ccccc1 ZINC000736305377 598734389 /nfs/dbraw/zinc/73/43/89/598734389.db2.gz UXXQGACGTXTZBP-OUKQBFOZSA-N -1 3 350.378 3.274 20 0 FGADHM CCC(=CC(=O)Oc1ccc(-c2nn[n-]n2)cc1OC)c1ccccc1 ZINC000736305377 598734390 /nfs/dbraw/zinc/73/43/90/598734390.db2.gz UXXQGACGTXTZBP-OUKQBFOZSA-N -1 3 350.378 3.274 20 0 FGADHM C[C@@H](Cc1ccccc1)C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000736059371 598741130 /nfs/dbraw/zinc/74/11/30/598741130.db2.gz RUKJJHAHRJVFRZ-HNNXBMFYSA-N -1 3 361.449 3.237 20 0 FGADHM C[C@@H](Cc1ccccc1)C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000736059371 598741131 /nfs/dbraw/zinc/74/11/31/598741131.db2.gz RUKJJHAHRJVFRZ-HNNXBMFYSA-N -1 3 361.449 3.237 20 0 FGADHM CCSc1ccc([C@H](C)NC(=O)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736666749 598745838 /nfs/dbraw/zinc/74/58/38/598745838.db2.gz NRBAFRVDJRJWJY-ZDUSSCGKSA-N -1 3 367.478 3.399 20 0 FGADHM CCSc1ccc([C@H](C)NC(=O)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736666749 598745840 /nfs/dbraw/zinc/74/58/40/598745840.db2.gz NRBAFRVDJRJWJY-ZDUSSCGKSA-N -1 3 367.478 3.399 20 0 FGADHM CC(C)[C@@H]1CCC[C@@H](NC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000735746992 598747951 /nfs/dbraw/zinc/74/79/51/598747951.db2.gz NYBPIYLSQXJYGT-IAGOWNOFSA-N -1 3 373.526 3.431 20 0 FGADHM CC(C)[C@@H]1CCC[C@@H](NC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000735746992 598747953 /nfs/dbraw/zinc/74/79/53/598747953.db2.gz NYBPIYLSQXJYGT-IAGOWNOFSA-N -1 3 373.526 3.431 20 0 FGADHM COCCSc1ccc([C@@H](C)Nc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000737013743 598755548 /nfs/dbraw/zinc/75/55/48/598755548.db2.gz KMHHZCUKDXFFHF-GFCCVEGCSA-N -1 3 356.455 3.173 20 0 FGADHM COCCSc1ccc([C@@H](C)Nc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000737013743 598755549 /nfs/dbraw/zinc/75/55/49/598755549.db2.gz KMHHZCUKDXFFHF-GFCCVEGCSA-N -1 3 356.455 3.173 20 0 FGADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000736185098 598762456 /nfs/dbraw/zinc/76/24/56/598762456.db2.gz SSKBSJAFOCBONN-SECBINFHSA-N -1 3 361.764 3.065 20 0 FGADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000736185098 598762457 /nfs/dbraw/zinc/76/24/57/598762457.db2.gz SSKBSJAFOCBONN-SECBINFHSA-N -1 3 361.764 3.065 20 0 FGADHM Cc1occc1CN(C)c1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21 ZINC000737555896 598772438 /nfs/dbraw/zinc/77/24/38/598772438.db2.gz AZTJRDHKAHQTEJ-UHFFFAOYSA-N -1 3 356.336 3.231 20 0 FGADHM Cc1occc1CN(C)c1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21 ZINC000737555896 598772439 /nfs/dbraw/zinc/77/24/39/598772439.db2.gz AZTJRDHKAHQTEJ-UHFFFAOYSA-N -1 3 356.336 3.231 20 0 FGADHM C[C@H]1Cc2ccccc2N(C(=S)Nc2ccccc2-c2nnn[n-]2)C1 ZINC000736297526 598788890 /nfs/dbraw/zinc/78/88/90/598788890.db2.gz NGVRMELQHJZJEN-LBPRGKRZSA-N -1 3 350.451 3.262 20 0 FGADHM C[C@H]1Cc2ccccc2N(C(=S)Nc2ccccc2-c2nn[n-]n2)C1 ZINC000736297526 598788891 /nfs/dbraw/zinc/78/88/91/598788891.db2.gz NGVRMELQHJZJEN-LBPRGKRZSA-N -1 3 350.451 3.262 20 0 FGADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2cc3nc(C)ccc3o2)s1 ZINC000736679653 598790659 /nfs/dbraw/zinc/79/06/59/598790659.db2.gz YRNBGDCFLRTGLG-UHFFFAOYSA-N -1 3 354.395 3.193 20 0 FGADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2cc3nc(C)ccc3o2)s1 ZINC000736679653 598790660 /nfs/dbraw/zinc/79/06/60/598790660.db2.gz YRNBGDCFLRTGLG-UHFFFAOYSA-N -1 3 354.395 3.193 20 0 FGADHM O=C([C@@H]1CCc2ccccc21)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000737792633 598790912 /nfs/dbraw/zinc/79/09/12/598790912.db2.gz PZQAKGGVAPNFMY-LJQANCHMSA-N -1 3 359.433 3.088 20 0 FGADHM O=C([C@@H]1CCc2ccccc21)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000737792633 598790914 /nfs/dbraw/zinc/79/09/14/598790914.db2.gz PZQAKGGVAPNFMY-LJQANCHMSA-N -1 3 359.433 3.088 20 0 FGADHM CSc1ccc(N(C)C(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000737190083 598791621 /nfs/dbraw/zinc/79/16/21/598791621.db2.gz LFUIPZRPCTYOLX-KPKJPENVSA-N -1 3 351.435 3.265 20 0 FGADHM CSc1ccc(N(C)C(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000737190083 598791622 /nfs/dbraw/zinc/79/16/22/598791622.db2.gz LFUIPZRPCTYOLX-KPKJPENVSA-N -1 3 351.435 3.265 20 0 FGADHM O=C(NC(C1CC1)C1CC1)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000737994720 598802856 /nfs/dbraw/zinc/80/28/56/598802856.db2.gz FHZSXDXDSHOQBU-UHFFFAOYSA-N -1 3 359.433 3.452 20 0 FGADHM O=C(NC(C1CC1)C1CC1)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000737994720 598802858 /nfs/dbraw/zinc/80/28/58/598802858.db2.gz FHZSXDXDSHOQBU-UHFFFAOYSA-N -1 3 359.433 3.452 20 0 FGADHM CCc1c(C)sc(NC(=O)CO[C@H]2CCCC[C@@H]2C)c1-c1nnn[n-]1 ZINC000736670404 598805315 /nfs/dbraw/zinc/80/53/15/598805315.db2.gz OXLGDOUTFWZADB-GWCFXTLKSA-N -1 3 363.487 3.333 20 0 FGADHM CCc1c(C)sc(NC(=O)CO[C@H]2CCCC[C@@H]2C)c1-c1nn[n-]n1 ZINC000736670404 598805316 /nfs/dbraw/zinc/80/53/16/598805316.db2.gz OXLGDOUTFWZADB-GWCFXTLKSA-N -1 3 363.487 3.333 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cn1)c1cccc(Oc2ccccc2)c1 ZINC000738149266 598806872 /nfs/dbraw/zinc/80/68/72/598806872.db2.gz FESBBMOBLLCSEP-UHFFFAOYSA-N -1 3 358.361 3.306 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cn1)c1cccc(Oc2ccccc2)c1 ZINC000738149266 598806873 /nfs/dbraw/zinc/80/68/73/598806873.db2.gz FESBBMOBLLCSEP-UHFFFAOYSA-N -1 3 358.361 3.306 20 0 FGADHM C[C@@H](NC(=O)c1sccc1OC(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000736124286 598816773 /nfs/dbraw/zinc/81/67/73/598816773.db2.gz GPGHWMDUVMWESW-MRVPVSSYSA-N -1 3 365.365 3.021 20 0 FGADHM C[C@@H](NC(=O)c1sccc1OC(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000736124286 598816774 /nfs/dbraw/zinc/81/67/74/598816774.db2.gz GPGHWMDUVMWESW-MRVPVSSYSA-N -1 3 365.365 3.021 20 0 FGADHM CCN(C(=O)C=Cc1cncc(F)c1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736502907 598818655 /nfs/dbraw/zinc/81/86/55/598818655.db2.gz QMQRKRMWRWSBRS-QGQQYVBWSA-N -1 3 366.400 3.024 20 0 FGADHM CCN(C(=O)C=Cc1cncc(F)c1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736502907 598818657 /nfs/dbraw/zinc/81/86/57/598818657.db2.gz QMQRKRMWRWSBRS-QGQQYVBWSA-N -1 3 366.400 3.024 20 0 FGADHM CSCCC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737177538 598821922 /nfs/dbraw/zinc/82/19/22/598821922.db2.gz SWWWDBAXVKDMRH-UHFFFAOYSA-N -1 3 355.423 3.351 20 0 FGADHM CSCCC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737177538 598821924 /nfs/dbraw/zinc/82/19/24/598821924.db2.gz SWWWDBAXVKDMRH-UHFFFAOYSA-N -1 3 355.423 3.351 20 0 FGADHM CCc1cnc(NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)s1 ZINC000821499231 599294725 /nfs/dbraw/zinc/29/47/25/599294725.db2.gz FMIFPJIGAORJSZ-UHFFFAOYSA-N -1 3 369.454 3.082 20 0 FGADHM CCc1cnc(NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)s1 ZINC000821499231 599294727 /nfs/dbraw/zinc/29/47/27/599294727.db2.gz FMIFPJIGAORJSZ-UHFFFAOYSA-N -1 3 369.454 3.082 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)N[C@@H]1CC=CCC1 ZINC000823303684 599295719 /nfs/dbraw/zinc/29/57/19/599295719.db2.gz RBJJHFVQERXXCV-SECBINFHSA-N -1 3 352.320 3.116 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)N[C@@H]1CC=CCC1 ZINC000823303684 599295721 /nfs/dbraw/zinc/29/57/21/599295721.db2.gz RBJJHFVQERXXCV-SECBINFHSA-N -1 3 352.320 3.116 20 0 FGADHM C[C@H]1C[C@@H]1NC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000820675478 599296532 /nfs/dbraw/zinc/29/65/32/599296532.db2.gz JIYQVNZOHRARHP-HZMBPMFUSA-N -1 3 368.372 3.328 20 0 FGADHM C[C@H]1C[C@@H]1NC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000820675478 599296533 /nfs/dbraw/zinc/29/65/33/599296533.db2.gz JIYQVNZOHRARHP-HZMBPMFUSA-N -1 3 368.372 3.328 20 0 FGADHM CCc1nc(NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)sc1C ZINC000821510338 599297334 /nfs/dbraw/zinc/29/73/34/599297334.db2.gz ZKYHVBKTPCMUPA-VIFPVBQESA-N -1 3 357.443 3.077 20 0 FGADHM CCc1nc(NC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)sc1C ZINC000821510338 599297336 /nfs/dbraw/zinc/29/73/36/599297336.db2.gz ZKYHVBKTPCMUPA-VIFPVBQESA-N -1 3 357.443 3.077 20 0 FGADHM C[C@H]1SCCN(C(=O)c2cccc(-c3nnn[n-]3)c2)[C@H]1c1ccccc1 ZINC000736303746 599303289 /nfs/dbraw/zinc/30/32/89/599303289.db2.gz SNQXRQGTKNKHKC-CXAGYDPISA-N -1 3 365.462 3.186 20 0 FGADHM C[C@H]1SCCN(C(=O)c2cccc(-c3nn[n-]n3)c2)[C@H]1c1ccccc1 ZINC000736303746 599303293 /nfs/dbraw/zinc/30/32/93/599303293.db2.gz SNQXRQGTKNKHKC-CXAGYDPISA-N -1 3 365.462 3.186 20 0 FGADHM CN(C(=O)c1ccc(SC(F)F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736741130 599307375 /nfs/dbraw/zinc/30/73/75/599307375.db2.gz ATAZEJYWNUDKCK-UHFFFAOYSA-N -1 3 361.377 3.458 20 0 FGADHM CN(C(=O)c1ccc(SC(F)F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736741130 599307378 /nfs/dbraw/zinc/30/73/78/599307378.db2.gz ATAZEJYWNUDKCK-UHFFFAOYSA-N -1 3 361.377 3.458 20 0 FGADHM C[C@H]1CCc2sc(C(=O)N(C)c3ccc(-c4nnn[n-]4)cc3)cc2C1 ZINC000736278516 599309477 /nfs/dbraw/zinc/30/94/77/599309477.db2.gz FVLOEWIBZMLQHY-NSHDSACASA-N -1 3 353.451 3.330 20 0 FGADHM C[C@H]1CCc2sc(C(=O)N(C)c3ccc(-c4nn[n-]n4)cc3)cc2C1 ZINC000736278516 599309479 /nfs/dbraw/zinc/30/94/79/599309479.db2.gz FVLOEWIBZMLQHY-NSHDSACASA-N -1 3 353.451 3.330 20 0 FGADHM CCN(C(=O)CSc1ccc(C)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736504504 599309512 /nfs/dbraw/zinc/30/95/12/599309512.db2.gz FIUQGTHUZHBAPB-UHFFFAOYSA-N -1 3 353.451 3.320 20 0 FGADHM CCN(C(=O)CSc1ccc(C)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736504504 599309515 /nfs/dbraw/zinc/30/95/15/599309515.db2.gz FIUQGTHUZHBAPB-UHFFFAOYSA-N -1 3 353.451 3.320 20 0 FGADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000821612404 599313959 /nfs/dbraw/zinc/31/39/59/599313959.db2.gz UDJYTFFRKOOBTO-SIKLNZKXSA-N -1 3 373.460 3.119 20 0 FGADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000821612404 599313960 /nfs/dbraw/zinc/31/39/60/599313960.db2.gz UDJYTFFRKOOBTO-SIKLNZKXSA-N -1 3 373.460 3.119 20 0 FGADHM CCCOc1cc(C)ccc1NCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736491710 599327491 /nfs/dbraw/zinc/32/74/91/599327491.db2.gz XVFPZJLUDVKSGN-UHFFFAOYSA-N -1 3 353.426 3.455 20 0 FGADHM CCCOc1cc(C)ccc1NCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736491710 599327494 /nfs/dbraw/zinc/32/74/94/599327494.db2.gz XVFPZJLUDVKSGN-UHFFFAOYSA-N -1 3 353.426 3.455 20 0 FGADHM C[C@H](SCC(=O)N[C@@H]1CCCC[C@H]1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736189143 599328003 /nfs/dbraw/zinc/32/80/03/599328003.db2.gz OAWABDHNBRRXCT-DVOMOZLQSA-N -1 3 359.499 3.356 20 0 FGADHM C[C@H](SCC(=O)N[C@@H]1CCCC[C@H]1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736189143 599328006 /nfs/dbraw/zinc/32/80/06/599328006.db2.gz OAWABDHNBRRXCT-DVOMOZLQSA-N -1 3 359.499 3.356 20 0 FGADHM C[C@@H](S[C@H](C)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1cccs1 ZINC000736187949 599333007 /nfs/dbraw/zinc/33/30/07/599333007.db2.gz DVIFFTXMMWNLNH-VXGBXAGGSA-N -1 3 373.507 3.427 20 0 FGADHM C[C@@H](S[C@H](C)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1cccs1 ZINC000736187949 599333010 /nfs/dbraw/zinc/33/30/10/599333010.db2.gz DVIFFTXMMWNLNH-VXGBXAGGSA-N -1 3 373.507 3.427 20 0 FGADHM C[C@H](SCC(=O)N(C)C1CCCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736187562 599333248 /nfs/dbraw/zinc/33/32/48/599333248.db2.gz BSUXYFVMMJNUBZ-ZDUSSCGKSA-N -1 3 359.499 3.452 20 0 FGADHM C[C@H](SCC(=O)N(C)C1CCCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736187562 599333251 /nfs/dbraw/zinc/33/32/51/599333251.db2.gz BSUXYFVMMJNUBZ-ZDUSSCGKSA-N -1 3 359.499 3.452 20 0 FGADHM CCc1ccc([C@@H](C)NC(=O)CSc2ccccc2-c2nnn[n-]2)cc1 ZINC000821480980 599341863 /nfs/dbraw/zinc/34/18/63/599341863.db2.gz GZTQNPZZADKKAU-CYBMUJFWSA-N -1 3 367.478 3.399 20 0 FGADHM CCc1ccc([C@@H](C)NC(=O)CSc2ccccc2-c2nn[n-]n2)cc1 ZINC000821480980 599341864 /nfs/dbraw/zinc/34/18/64/599341864.db2.gz GZTQNPZZADKKAU-CYBMUJFWSA-N -1 3 367.478 3.399 20 0 FGADHM Cc1ccc(N2CCC[C@@H](Sc3ccccc3-c3nnn[n-]3)C2=O)cc1 ZINC000822242608 599350976 /nfs/dbraw/zinc/35/09/76/599350976.db2.gz QYMVHTNIRLSPQU-QGZVFWFLSA-N -1 3 365.462 3.463 20 0 FGADHM Cc1ccc(N2CCC[C@@H](Sc3ccccc3-c3nn[n-]n3)C2=O)cc1 ZINC000822242608 599350979 /nfs/dbraw/zinc/35/09/79/599350979.db2.gz QYMVHTNIRLSPQU-QGZVFWFLSA-N -1 3 365.462 3.463 20 0 FGADHM Cc1cc(C)c(-c2nnn[n-]2)c(NCc2cc(N(C)C)nc3ccccc23)n1 ZINC000822193114 599361168 /nfs/dbraw/zinc/36/11/68/599361168.db2.gz LSXVJFIIRIBUIX-UHFFFAOYSA-N -1 3 374.452 3.105 20 0 FGADHM Cc1cc(C)c(-c2nn[n-]n2)c(NCc2cc(N(C)C)nc3ccccc23)n1 ZINC000822193114 599361171 /nfs/dbraw/zinc/36/11/71/599361171.db2.gz LSXVJFIIRIBUIX-UHFFFAOYSA-N -1 3 374.452 3.105 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1CNc1ccc(F)cc1OCC1CC1 ZINC000821736752 607371348 /nfs/dbraw/zinc/37/13/48/607371348.db2.gz NQDMWJYEARCTSF-UHFFFAOYSA-N -1 3 369.400 3.415 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1CNc1ccc(F)cc1OCC1CC1 ZINC000821736752 607371349 /nfs/dbraw/zinc/37/13/49/607371349.db2.gz NQDMWJYEARCTSF-UHFFFAOYSA-N -1 3 369.400 3.415 20 0 FGADHM CCC(C)(C)N(C)C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000736312668 599373651 /nfs/dbraw/zinc/37/36/51/599373651.db2.gz FCQLRNOCUHAMNX-UHFFFAOYSA-N -1 3 366.425 3.315 20 0 FGADHM CCC(C)(C)N(C)C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000736312668 599373653 /nfs/dbraw/zinc/37/36/53/599373653.db2.gz FCQLRNOCUHAMNX-UHFFFAOYSA-N -1 3 366.425 3.315 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)Cc1cc(-c2ccccc2)on1 ZINC000737292853 599374528 /nfs/dbraw/zinc/37/45/28/599374528.db2.gz XCDWTPHPHOKIQL-UHFFFAOYSA-N -1 3 360.377 3.011 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)Cc1cc(-c2ccccc2)on1 ZINC000737292853 599374531 /nfs/dbraw/zinc/37/45/31/599374531.db2.gz XCDWTPHPHOKIQL-UHFFFAOYSA-N -1 3 360.377 3.011 20 0 FGADHM C[C@H](NC(=O)c1sccc1-c1nnn[n-]1)c1ccc(F)cc1Cl ZINC000736125388 599377616 /nfs/dbraw/zinc/37/76/16/599377616.db2.gz JVNBKRPIZSBCIX-ZETCQYMHSA-N -1 3 351.794 3.212 20 0 FGADHM C[C@H](NC(=O)c1sccc1-c1nn[n-]n1)c1ccc(F)cc1Cl ZINC000736125388 599377619 /nfs/dbraw/zinc/37/76/19/599377619.db2.gz JVNBKRPIZSBCIX-ZETCQYMHSA-N -1 3 351.794 3.212 20 0 FGADHM C[C@@H](Nc1cc(-c2nnn[n-]2)c2ccccc2n1)c1ccc2c(c1)OCO2 ZINC000736140513 599401439 /nfs/dbraw/zinc/40/14/39/599401439.db2.gz XDAQPMILSSXUAD-LLVKDONJSA-N -1 3 360.377 3.317 20 0 FGADHM C[C@@H](Nc1cc(-c2nn[n-]n2)c2ccccc2n1)c1ccc2c(c1)OCO2 ZINC000736140513 599401441 /nfs/dbraw/zinc/40/14/41/599401441.db2.gz XDAQPMILSSXUAD-LLVKDONJSA-N -1 3 360.377 3.317 20 0 FGADHM C[C@H](NC(=O)NCC(C)(C)c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820358559 599406486 /nfs/dbraw/zinc/40/64/86/599406486.db2.gz NPKVDUNPFYDQJS-AWEZNQCLSA-N -1 3 364.453 3.205 20 0 FGADHM C[C@H](NC(=O)NCC(C)(C)c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820358559 599406488 /nfs/dbraw/zinc/40/64/88/599406488.db2.gz NPKVDUNPFYDQJS-AWEZNQCLSA-N -1 3 364.453 3.205 20 0 FGADHM C[C@H](NC(=O)NCc1ccc([C@H]2C[C@H]2C)o1)c1cccc(-c2nnn[n-]2)c1 ZINC000820374473 599411952 /nfs/dbraw/zinc/41/19/52/599411952.db2.gz NYYJONJLYSPEEN-WQGACYEGSA-N -1 3 366.425 3.144 20 0 FGADHM C[C@H](NC(=O)NCc1ccc([C@H]2C[C@H]2C)o1)c1cccc(-c2nn[n-]n2)c1 ZINC000820374473 599411955 /nfs/dbraw/zinc/41/19/55/599411955.db2.gz NYYJONJLYSPEEN-WQGACYEGSA-N -1 3 366.425 3.144 20 0 FGADHM Cc1ccccc1C[C@H](C)NC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822356472 599423123 /nfs/dbraw/zinc/42/31/23/599423123.db2.gz UHOXNBIMCJOKSG-LSDHHAIUSA-N -1 3 364.453 3.167 20 0 FGADHM Cc1ccccc1C[C@H](C)NC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822356472 599423128 /nfs/dbraw/zinc/42/31/28/599423128.db2.gz UHOXNBIMCJOKSG-LSDHHAIUSA-N -1 3 364.453 3.167 20 0 FGADHM c1ccc(NCCCCNc2cc(-c3nnn[n-]3)c3ccccc3n2)nc1 ZINC000738436039 599426261 /nfs/dbraw/zinc/42/62/61/599426261.db2.gz MOVUYTBGGDPKOY-UHFFFAOYSA-N -1 3 360.425 3.114 20 0 FGADHM c1ccc(NCCCCNc2cc(-c3nn[n-]n3)c3ccccc3n2)nc1 ZINC000738436039 599426265 /nfs/dbraw/zinc/42/62/65/599426265.db2.gz MOVUYTBGGDPKOY-UHFFFAOYSA-N -1 3 360.425 3.114 20 0 FGADHM c1ccc(N2CC[C@H](Nc3cc(-c4nnn[n-]4)c4ccccc4n3)C2)cc1 ZINC000738436556 599432583 /nfs/dbraw/zinc/43/25/83/599432583.db2.gz SZGBXZUCTOSDHZ-AWEZNQCLSA-N -1 3 357.421 3.106 20 0 FGADHM c1ccc(N2CC[C@H](Nc3cc(-c4nn[n-]n4)c4ccccc4n3)C2)cc1 ZINC000738436556 599432584 /nfs/dbraw/zinc/43/25/84/599432584.db2.gz SZGBXZUCTOSDHZ-AWEZNQCLSA-N -1 3 357.421 3.106 20 0 FGADHM O[C@@]1(CNc2cc(-c3nnn[n-]3)c3ccccc3n2)CCCc2ccccc21 ZINC000738387631 599434816 /nfs/dbraw/zinc/43/48/16/599434816.db2.gz BVPWZVPQHMOKJZ-OAQYLSRUSA-N -1 3 372.432 3.051 20 0 FGADHM O[C@@]1(CNc2cc(-c3nn[n-]n3)c3ccccc3n2)CCCc2ccccc21 ZINC000738387631 599434820 /nfs/dbraw/zinc/43/48/20/599434820.db2.gz BVPWZVPQHMOKJZ-OAQYLSRUSA-N -1 3 372.432 3.051 20 0 FGADHM C[C@H](NC(=O)N[C@@H]1CCc2ccc(F)cc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820358892 599436003 /nfs/dbraw/zinc/43/60/03/599436003.db2.gz QEKOMCMYQRKXRN-APPDUMDISA-N -1 3 366.400 3.054 20 0 FGADHM C[C@H](NC(=O)N[C@@H]1CCc2ccc(F)cc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820358892 599436005 /nfs/dbraw/zinc/43/60/05/599436005.db2.gz QEKOMCMYQRKXRN-APPDUMDISA-N -1 3 366.400 3.054 20 0 FGADHM Fc1cccc(CCNc2cc(-c3nnn[n-]3)c3ccccc3n2)c1F ZINC000737665693 599437662 /nfs/dbraw/zinc/43/76/62/599437662.db2.gz INXRCMVHTBQQND-UHFFFAOYSA-N -1 3 352.348 3.348 20 0 FGADHM Fc1cccc(CCNc2cc(-c3nn[n-]n3)c3ccccc3n2)c1F ZINC000737665693 599437664 /nfs/dbraw/zinc/43/76/64/599437664.db2.gz INXRCMVHTBQQND-UHFFFAOYSA-N -1 3 352.348 3.348 20 0 FGADHM Cc1cc(C)c(-c2nnn[n-]2)c(N2CCC(c3ccccc3F)CC2)n1 ZINC000737247146 599441506 /nfs/dbraw/zinc/44/15/06/599441506.db2.gz ZLQZUKMFMNREHX-UHFFFAOYSA-N -1 3 352.417 3.402 20 0 FGADHM Cc1cc(C)c(-c2nn[n-]n2)c(N2CCC(c3ccccc3F)CC2)n1 ZINC000737247146 599441510 /nfs/dbraw/zinc/44/15/10/599441510.db2.gz ZLQZUKMFMNREHX-UHFFFAOYSA-N -1 3 352.417 3.402 20 0 FGADHM C[C@@H]1CCC[C@@H](CCNC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC000820697569 599441964 /nfs/dbraw/zinc/44/19/64/599441964.db2.gz JBBVYSYQTZJZSR-OLZOCXBDSA-N -1 3 360.437 3.021 20 0 FGADHM C[C@@H]1CCC[C@@H](CCNC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC000820697569 599441965 /nfs/dbraw/zinc/44/19/65/599441965.db2.gz JBBVYSYQTZJZSR-OLZOCXBDSA-N -1 3 360.437 3.021 20 0 FGADHM CC(C)[C@H]1CCC[C@H](NC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC000820037581 599459575 /nfs/dbraw/zinc/45/95/75/599459575.db2.gz FFLKPDMWJAYLOL-WFASDCNBSA-N -1 3 360.437 3.020 20 0 FGADHM CC(C)[C@H]1CCC[C@H](NC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC000820037581 599459576 /nfs/dbraw/zinc/45/95/76/599459576.db2.gz FFLKPDMWJAYLOL-WFASDCNBSA-N -1 3 360.437 3.020 20 0 FGADHM CO[C@@H](CNc1c(-c2nnn[n-]2)cnc2c(C)cc(C)cc21)c1ccccc1 ZINC000821676802 599469164 /nfs/dbraw/zinc/46/91/64/599469164.db2.gz HIXBNWMAMQRHEC-SFHVURJKSA-N -1 3 374.448 3.253 20 0 FGADHM CO[C@@H](CNc1c(-c2nn[n-]n2)cnc2c(C)cc(C)cc21)c1ccccc1 ZINC000821676802 599469166 /nfs/dbraw/zinc/46/91/66/599469166.db2.gz HIXBNWMAMQRHEC-SFHVURJKSA-N -1 3 374.448 3.253 20 0 FGADHM Cc1ccc([C@H](C)NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)s1 ZINC000822228712 599471983 /nfs/dbraw/zinc/47/19/83/599471983.db2.gz CYZIMWFTNDHHCH-RYUDHWBXSA-N -1 3 356.455 3.358 20 0 FGADHM Cc1ccc([C@H](C)NC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)s1 ZINC000822228712 599471984 /nfs/dbraw/zinc/47/19/84/599471984.db2.gz CYZIMWFTNDHHCH-RYUDHWBXSA-N -1 3 356.455 3.358 20 0 FGADHM Cc1ncc(CN(C)c2c(-c3nnn[n-]3)cnc3c(C)cccc32)s1 ZINC000822467924 599486223 /nfs/dbraw/zinc/48/62/23/599486223.db2.gz UMMGHAZUTXQKDQ-UHFFFAOYSA-N -1 3 351.439 3.125 20 0 FGADHM Cc1ncc(CN(C)c2c(-c3nn[n-]n3)cnc3c(C)cccc32)s1 ZINC000822467924 599486224 /nfs/dbraw/zinc/48/62/24/599486224.db2.gz UMMGHAZUTXQKDQ-UHFFFAOYSA-N -1 3 351.439 3.125 20 0 FGADHM CC(C)Oc1cccc(CC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000820178108 599500630 /nfs/dbraw/zinc/50/06/30/599500630.db2.gz HUEOQDZFQNTXQS-AWEZNQCLSA-N -1 3 365.437 3.074 20 0 FGADHM CC(C)Oc1cccc(CC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000820178108 599500633 /nfs/dbraw/zinc/50/06/33/599500633.db2.gz HUEOQDZFQNTXQS-AWEZNQCLSA-N -1 3 365.437 3.074 20 0 FGADHM C[C@@H](NC(=O)c1ccc(-c2cnco2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820390809 599504578 /nfs/dbraw/zinc/50/45/78/599504578.db2.gz LDXVJCSYYIYVMO-GFCCVEGCSA-N -1 3 360.377 3.013 20 0 FGADHM C[C@@H](NC(=O)c1ccc(-c2cnco2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820390809 599504580 /nfs/dbraw/zinc/50/45/80/599504580.db2.gz LDXVJCSYYIYVMO-GFCCVEGCSA-N -1 3 360.377 3.013 20 0 FGADHM CC(C)c1nc([C@@H]2CCCN(c3ccc(Cl)cc3-c3nnn[n-]3)C2)no1 ZINC000820202975 599508605 /nfs/dbraw/zinc/50/86/05/599508605.db2.gz NCIUUUOWTBTSTH-LLVKDONJSA-N -1 3 373.848 3.411 20 0 FGADHM CC(C)c1nc([C@@H]2CCCN(c3ccc(Cl)cc3-c3nn[n-]n3)C2)no1 ZINC000820202975 599508606 /nfs/dbraw/zinc/50/86/06/599508606.db2.gz NCIUUUOWTBTSTH-LLVKDONJSA-N -1 3 373.848 3.411 20 0 FGADHM C[C@@H](Cc1ccccc1F)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820300599 599515802 /nfs/dbraw/zinc/51/58/02/599515802.db2.gz RHJHBAHDBMOSFZ-STQMWFEESA-N -1 3 353.401 3.062 20 0 FGADHM C[C@@H](Cc1ccccc1F)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820300599 599515804 /nfs/dbraw/zinc/51/58/04/599515804.db2.gz RHJHBAHDBMOSFZ-STQMWFEESA-N -1 3 353.401 3.062 20 0 FGADHM Cc1nc(CNc2c(Cl)cccc2-c2nnn[n-]2)nc2ccccc12 ZINC000822444134 599519154 /nfs/dbraw/zinc/51/91/54/599519154.db2.gz CQXXGIFYSQWQHV-UHFFFAOYSA-N -1 3 351.801 3.384 20 0 FGADHM Cc1nc(CNc2c(Cl)cccc2-c2nn[n-]n2)nc2ccccc12 ZINC000822444134 599519156 /nfs/dbraw/zinc/51/91/56/599519156.db2.gz CQXXGIFYSQWQHV-UHFFFAOYSA-N -1 3 351.801 3.384 20 0 FGADHM C[C@@H](NC(=O)c1ccc(OC2CCC2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820396958 599521843 /nfs/dbraw/zinc/52/18/43/599521843.db2.gz KCOHTRLTOBKFIZ-CYBMUJFWSA-N -1 3 363.421 3.289 20 0 FGADHM C[C@@H](NC(=O)c1ccc(OC2CCC2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820396958 599521845 /nfs/dbraw/zinc/52/18/45/599521845.db2.gz KCOHTRLTOBKFIZ-CYBMUJFWSA-N -1 3 363.421 3.289 20 0 FGADHM Cc1ccc(Cl)c(OCC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000822240068 599527876 /nfs/dbraw/zinc/52/78/76/599527876.db2.gz RACVTBLYNUEZCV-LBPRGKRZSA-N -1 3 371.828 3.085 20 0 FGADHM Cc1ccc(Cl)c(OCC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000822240068 599527878 /nfs/dbraw/zinc/52/78/78/599527878.db2.gz RACVTBLYNUEZCV-LBPRGKRZSA-N -1 3 371.828 3.085 20 0 FGADHM C[C@H](NC(=O)CCc1ccc([C@H]2C[C@@H]2C)o1)c1cccc(-c2nnn[n-]2)c1 ZINC000820327382 599533426 /nfs/dbraw/zinc/53/34/26/599533426.db2.gz GUMLHBDJAVMLTL-DCGLDWPTSA-N -1 3 365.437 3.393 20 0 FGADHM C[C@H](NC(=O)CCc1ccc([C@H]2C[C@@H]2C)o1)c1cccc(-c2nn[n-]n2)c1 ZINC000820327382 599533428 /nfs/dbraw/zinc/53/34/28/599533428.db2.gz GUMLHBDJAVMLTL-DCGLDWPTSA-N -1 3 365.437 3.393 20 0 FGADHM Cc1ccc([C@H](C)CNC(=S)Nc2ccccc2-c2nnn[n-]2)cc1 ZINC000737322310 599537047 /nfs/dbraw/zinc/53/70/47/599537047.db2.gz XVAFGMSHIIWUFE-CYBMUJFWSA-N -1 3 352.467 3.265 20 0 FGADHM Cc1ccc([C@H](C)CNC(=S)Nc2ccccc2-c2nn[n-]n2)cc1 ZINC000737322310 599537050 /nfs/dbraw/zinc/53/70/50/599537050.db2.gz XVAFGMSHIIWUFE-CYBMUJFWSA-N -1 3 352.467 3.265 20 0 FGADHM Cc1nc(C(C)(C)C)sc1C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822424104 599537869 /nfs/dbraw/zinc/53/78/69/599537869.db2.gz RENBHTPSCBRERR-JTQLQIEISA-N -1 3 370.482 3.420 20 0 FGADHM Cc1nc(C(C)(C)C)sc1C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822424104 599537871 /nfs/dbraw/zinc/53/78/71/599537871.db2.gz RENBHTPSCBRERR-JTQLQIEISA-N -1 3 370.482 3.420 20 0 FGADHM C[C@H](NC(=O)[C@H]1C[C@H]1c1cccc(F)c1F)c1cccc(-c2nnn[n-]2)c1 ZINC000820322069 599540852 /nfs/dbraw/zinc/54/08/52/599540852.db2.gz QHPGRGOSRKSVNF-LKTVYLICSA-N -1 3 369.375 3.126 20 0 FGADHM C[C@H](NC(=O)[C@H]1C[C@H]1c1cccc(F)c1F)c1cccc(-c2nn[n-]n2)c1 ZINC000820322069 599540853 /nfs/dbraw/zinc/54/08/53/599540853.db2.gz QHPGRGOSRKSVNF-LKTVYLICSA-N -1 3 369.375 3.126 20 0 FGADHM CC[C@H](C)[C@@H]1CCCCN1C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736326661 599548365 /nfs/dbraw/zinc/54/83/65/599548365.db2.gz CGCMMDCRXKHXPN-BBRMVZONSA-N -1 3 359.499 3.386 20 0 FGADHM CC[C@H](C)[C@@H]1CCCCN1C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736326661 599548367 /nfs/dbraw/zinc/54/83/67/599548367.db2.gz CGCMMDCRXKHXPN-BBRMVZONSA-N -1 3 359.499 3.386 20 0 FGADHM Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)c2sccc2-c2nnn[n-]2)C1 ZINC000737420030 599548837 /nfs/dbraw/zinc/54/88/37/599548837.db2.gz GSWCRPAOEYJGIF-STQMWFEESA-N -1 3 353.451 3.255 20 0 FGADHM Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)c2sccc2-c2nn[n-]n2)C1 ZINC000737420030 599548839 /nfs/dbraw/zinc/54/88/39/599548839.db2.gz GSWCRPAOEYJGIF-STQMWFEESA-N -1 3 353.451 3.255 20 0 FGADHM C[C@@H]1CCN(C(=O)C=Cc2ccccc2-c2nnn[n-]2)[C@H](c2ccco2)C1 ZINC000820715335 599549888 /nfs/dbraw/zinc/54/98/88/599549888.db2.gz AMKBKWYBMRPWTE-KPBXEYHCSA-N -1 3 363.421 3.473 20 0 FGADHM C[C@@H]1CCN(C(=O)C=Cc2ccccc2-c2nn[n-]n2)[C@H](c2ccco2)C1 ZINC000820715335 599549890 /nfs/dbraw/zinc/54/98/90/599549890.db2.gz AMKBKWYBMRPWTE-KPBXEYHCSA-N -1 3 363.421 3.473 20 0 FGADHM CCN(CC)c1ccc(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821197114 599553096 /nfs/dbraw/zinc/55/30/96/599553096.db2.gz GFIZRTVBMPEEBW-CQSZACIVSA-N -1 3 364.453 3.204 20 0 FGADHM CCN(CC)c1ccc(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821197114 599553098 /nfs/dbraw/zinc/55/30/98/599553098.db2.gz GFIZRTVBMPEEBW-CQSZACIVSA-N -1 3 364.453 3.204 20 0 FGADHM C[C@@H]1CCN(C(=O)Nc2cccc(-c3nnn[n-]3)c2)[C@H](c2ccco2)C1 ZINC000820716740 599557883 /nfs/dbraw/zinc/55/78/83/599557883.db2.gz KTWPMLWVOBYNPO-DOMZBBRYSA-N -1 3 352.398 3.465 20 0 FGADHM C[C@@H]1CCN(C(=O)Nc2cccc(-c3nn[n-]n3)c2)[C@H](c2ccco2)C1 ZINC000820716740 599557885 /nfs/dbraw/zinc/55/78/85/599557885.db2.gz KTWPMLWVOBYNPO-DOMZBBRYSA-N -1 3 352.398 3.465 20 0 FGADHM CS[C@H]1CCC[C@H](Nc2c(-c3nnn[n-]3)cnc3c(C)cc(F)cc32)C1 ZINC000821950730 599562525 /nfs/dbraw/zinc/56/25/25/599562525.db2.gz QBCPXQWAPZIKCE-STQMWFEESA-N -1 3 372.473 3.370 20 0 FGADHM CS[C@H]1CCC[C@H](Nc2c(-c3nn[n-]n3)cnc3c(C)cc(F)cc32)C1 ZINC000821950730 599562527 /nfs/dbraw/zinc/56/25/27/599562527.db2.gz QBCPXQWAPZIKCE-STQMWFEESA-N -1 3 372.473 3.370 20 0 FGADHM C[C@H](c1cccs1)N(C)Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000820570735 599563449 /nfs/dbraw/zinc/56/34/49/599563449.db2.gz PVRDGFQWDBJPBJ-LLVKDONJSA-N -1 3 367.438 3.171 20 0 FGADHM C[C@H](c1cccs1)N(C)Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000820570735 599563450 /nfs/dbraw/zinc/56/34/50/599563450.db2.gz PVRDGFQWDBJPBJ-LLVKDONJSA-N -1 3 367.438 3.171 20 0 FGADHM Fc1cccc(N2CCCC2)c1NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737638887 599582030 /nfs/dbraw/zinc/58/20/30/599582030.db2.gz JEVDPCQHDXBDEJ-UHFFFAOYSA-N -1 3 356.380 3.357 20 0 FGADHM Fc1cccc(N2CCCC2)c1NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737638887 599582032 /nfs/dbraw/zinc/58/20/32/599582032.db2.gz JEVDPCQHDXBDEJ-UHFFFAOYSA-N -1 3 356.380 3.357 20 0 FGADHM CCC(=O)[C@H](C)OC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736304548 599607611 /nfs/dbraw/zinc/60/76/11/599607611.db2.gz NWOAOZDKQGBLST-LBPRGKRZSA-N -1 3 365.393 3.135 20 0 FGADHM CC[C@H](c1ccncc1)N(C)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736395251 599611329 /nfs/dbraw/zinc/61/13/29/599611329.db2.gz ICOGHGMQLVWBLB-OAHLLOKOSA-N -1 3 355.377 3.016 20 0 FGADHM CC[C@H](c1ccncc1)N(C)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736395251 599611330 /nfs/dbraw/zinc/61/13/30/599611330.db2.gz ICOGHGMQLVWBLB-OAHLLOKOSA-N -1 3 355.377 3.016 20 0 FGADHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)[C@H](C)c1ccsc1 ZINC000736037141 599617441 /nfs/dbraw/zinc/61/74/41/599617441.db2.gz JOVANRSYMMKGHA-VXGBXAGGSA-N -1 3 358.423 3.042 20 0 FGADHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)[C@H](C)c1ccsc1 ZINC000736037141 599617443 /nfs/dbraw/zinc/61/74/43/599617443.db2.gz JOVANRSYMMKGHA-VXGBXAGGSA-N -1 3 358.423 3.042 20 0 FGADHM Cc1cccc2c(CCC(=O)OCc3ccc(-c4nnn[n-]4)cc3)c[nH]c21 ZINC000822332631 599623009 /nfs/dbraw/zinc/62/30/09/599623009.db2.gz QJKZSTWUQVZPAT-UHFFFAOYSA-N -1 3 361.405 3.332 20 0 FGADHM Cc1cccc2c(CCC(=O)OCc3ccc(-c4nn[n-]n4)cc3)c[nH]c21 ZINC000822332631 599623010 /nfs/dbraw/zinc/62/30/10/599623010.db2.gz QJKZSTWUQVZPAT-UHFFFAOYSA-N -1 3 361.405 3.332 20 0 FGADHM Cc1ccc([C@@H](C)C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)o1 ZINC000822227688 599628691 /nfs/dbraw/zinc/62/86/91/599628691.db2.gz RNFBBBQSOUADFP-SNVBAGLBSA-N -1 3 357.439 3.451 20 0 FGADHM Cc1ccc([C@@H](C)C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)o1 ZINC000822227688 599628692 /nfs/dbraw/zinc/62/86/92/599628692.db2.gz RNFBBBQSOUADFP-SNVBAGLBSA-N -1 3 357.439 3.451 20 0 FGADHM C[C@@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccco1 ZINC000819867106 599633421 /nfs/dbraw/zinc/63/34/21/599633421.db2.gz RLIJFRCSGAWCOH-MRVPVSSYSA-N -1 3 351.288 3.221 20 0 FGADHM C[C@@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccco1 ZINC000819867106 599633422 /nfs/dbraw/zinc/63/34/22/599633422.db2.gz RLIJFRCSGAWCOH-MRVPVSSYSA-N -1 3 351.288 3.221 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccnc(Cl)c1 ZINC000823303751 599634397 /nfs/dbraw/zinc/63/43/97/599634397.db2.gz UGIXFXLGQLVOBN-UHFFFAOYSA-N -1 3 368.706 3.186 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccnc(Cl)c1 ZINC000823303751 599634398 /nfs/dbraw/zinc/63/43/98/599634398.db2.gz UGIXFXLGQLVOBN-UHFFFAOYSA-N -1 3 368.706 3.186 20 0 FGADHM COc1ccc2c(c1)nccc2OCc1ccc(-c2nnn[n-]2)cc1F ZINC000821849844 599646887 /nfs/dbraw/zinc/64/68/87/599646887.db2.gz RUOPWSCFDHMVIC-UHFFFAOYSA-N -1 3 351.341 3.142 20 0 FGADHM COc1ccc2c(c1)nccc2OCc1ccc(-c2nn[n-]n2)cc1F ZINC000821849844 599646888 /nfs/dbraw/zinc/64/68/88/599646888.db2.gz RUOPWSCFDHMVIC-UHFFFAOYSA-N -1 3 351.341 3.142 20 0 FGADHM Cc1ccc(-c2cnc(COC(=O)c3ccc(-c4nnn[n-]4)cc3)o2)cc1 ZINC000822214283 599648826 /nfs/dbraw/zinc/64/88/26/599648826.db2.gz YECLLCGUBJATCV-UHFFFAOYSA-N -1 3 361.361 3.187 20 0 FGADHM Cc1ccc(-c2cnc(COC(=O)c3ccc(-c4nn[n-]n4)cc3)o2)cc1 ZINC000822214283 599648827 /nfs/dbraw/zinc/64/88/27/599648827.db2.gz YECLLCGUBJATCV-UHFFFAOYSA-N -1 3 361.361 3.187 20 0 FGADHM O=C(OCc1ccccc1-c1nnn[n-]1)c1c[nH]cc1-c1ccc(F)cc1 ZINC000823431565 599665507 /nfs/dbraw/zinc/66/55/07/599665507.db2.gz RVWDURZWAMAOPF-UHFFFAOYSA-N -1 3 363.352 3.358 20 0 FGADHM O=C(OCc1ccccc1-c1nn[n-]n1)c1c[nH]cc1-c1ccc(F)cc1 ZINC000823431565 599665508 /nfs/dbraw/zinc/66/55/08/599665508.db2.gz RVWDURZWAMAOPF-UHFFFAOYSA-N -1 3 363.352 3.358 20 0 FGADHM CC[C@@H](C)C[C@H](C)NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000820870570 599678430 /nfs/dbraw/zinc/67/84/30/599678430.db2.gz VJVRIATXWMLFIE-KGLIPLIRSA-N -1 3 356.474 3.365 20 0 FGADHM CC[C@@H](C)C[C@H](C)NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000820870570 599678431 /nfs/dbraw/zinc/67/84/31/599678431.db2.gz VJVRIATXWMLFIE-KGLIPLIRSA-N -1 3 356.474 3.365 20 0 FGADHM CCC[C@]1(C)CCCN(C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC000821027139 599678791 /nfs/dbraw/zinc/67/87/91/599678791.db2.gz KPNTVAUTRLCGNF-GOSISDBHSA-N -1 3 360.437 3.118 20 0 FGADHM CCC[C@]1(C)CCCN(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC000821027139 599678792 /nfs/dbraw/zinc/67/87/92/599678792.db2.gz KPNTVAUTRLCGNF-GOSISDBHSA-N -1 3 360.437 3.118 20 0 FGADHM CCOc1ccc(NC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC000825643713 607390984 /nfs/dbraw/zinc/39/09/84/607390984.db2.gz RYQHLODEMBQSQT-UHFFFAOYSA-N -1 3 364.409 3.076 20 0 FGADHM CCOc1ccc(NC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000825643713 607390986 /nfs/dbraw/zinc/39/09/86/607390986.db2.gz RYQHLODEMBQSQT-UHFFFAOYSA-N -1 3 364.409 3.076 20 0 FGADHM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)OCc1cc(-c2nnn[n-]2)ccc1F ZINC000826316337 607391265 /nfs/dbraw/zinc/39/12/65/607391265.db2.gz KPOBOAWTBIRRJL-OLZOCXBDSA-N -1 3 358.398 3.223 20 0 FGADHM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000826316337 607391267 /nfs/dbraw/zinc/39/12/67/607391267.db2.gz KPOBOAWTBIRRJL-OLZOCXBDSA-N -1 3 358.398 3.223 20 0 FGADHM C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)CN1CCCC[C@@H]1CC(=O)[O-] ZINC000650504324 599754777 /nfs/dbraw/zinc/75/47/77/599754777.db2.gz IJPVHVCJXLBTGL-QFBILLFUSA-N -1 3 358.482 3.143 20 0 FGADHM O=C(Nc1sc(-c2ccccc2)cc1-c1nnn[n-]1)[C@@H]1CCCCO1 ZINC000823383124 607394656 /nfs/dbraw/zinc/39/46/56/607394656.db2.gz MAAFGJYBARXBMK-ZDUSSCGKSA-N -1 3 355.423 3.103 20 0 FGADHM O=C(Nc1sc(-c2ccccc2)cc1-c1nn[n-]n1)[C@@H]1CCCCO1 ZINC000823383124 607394658 /nfs/dbraw/zinc/39/46/58/607394658.db2.gz MAAFGJYBARXBMK-ZDUSSCGKSA-N -1 3 355.423 3.103 20 0 FGADHM CCS[C@H](C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1)C(C)C ZINC000821446876 607397222 /nfs/dbraw/zinc/39/72/22/607397222.db2.gz FBFKWJHBNHHFMD-HNNXBMFYSA-N -1 3 363.487 3.370 20 0 FGADHM CCS[C@H](C(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1)C(C)C ZINC000821446876 607397224 /nfs/dbraw/zinc/39/72/24/607397224.db2.gz FBFKWJHBNHHFMD-HNNXBMFYSA-N -1 3 363.487 3.370 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Oc1ccc(F)c2c1C(=O)C[C@H]2C ZINC000826252390 607400130 /nfs/dbraw/zinc/40/01/30/607400130.db2.gz BFJCEBVSYWYPQD-SNVBAGLBSA-N -1 3 366.352 3.223 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Oc1ccc(F)c2c1C(=O)C[C@H]2C ZINC000826252390 607400132 /nfs/dbraw/zinc/40/01/32/607400132.db2.gz BFJCEBVSYWYPQD-SNVBAGLBSA-N -1 3 366.352 3.223 20 0 FGADHM CC(C)Oc1ccc(NC(=O)C=Cc2ccsc2)cc1-c1nnn[n-]1 ZINC000820160669 607403236 /nfs/dbraw/zinc/40/32/36/607403236.db2.gz PEDOYGWSMVNVCQ-UTCJRWHESA-N -1 3 355.423 3.367 20 0 FGADHM CC(C)Oc1ccc(NC(=O)C=Cc2ccsc2)cc1-c1nn[n-]n1 ZINC000820160669 607403238 /nfs/dbraw/zinc/40/32/38/607403238.db2.gz PEDOYGWSMVNVCQ-UTCJRWHESA-N -1 3 355.423 3.367 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)[C@H](C)CCOc1ccccc1 ZINC000826252740 607407535 /nfs/dbraw/zinc/40/75/35/607407535.db2.gz POLSZIATQZMZGP-CQSZACIVSA-N -1 3 366.421 3.324 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)[C@H](C)CCOc1ccccc1 ZINC000826252740 607407536 /nfs/dbraw/zinc/40/75/36/607407536.db2.gz POLSZIATQZMZGP-CQSZACIVSA-N -1 3 366.421 3.324 20 0 FGADHM CN(C)CCN(CCCc1ccccc1)C(=O)c1cccc(NC(=O)[O-])c1 ZINC000737371132 599933458 /nfs/dbraw/zinc/93/34/58/599933458.db2.gz ZTOYWYZAYXXABA-UHFFFAOYSA-N -1 3 369.465 3.413 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)C(C)(C)c1cccc(F)c1 ZINC000826252567 607407725 /nfs/dbraw/zinc/40/77/25/607407725.db2.gz IHQKUWJGNXJCPN-UHFFFAOYSA-N -1 3 354.385 3.335 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)C(C)(C)c1cccc(F)c1 ZINC000826252567 607407726 /nfs/dbraw/zinc/40/77/26/607407726.db2.gz IHQKUWJGNXJCPN-UHFFFAOYSA-N -1 3 354.385 3.335 20 0 FGADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCC2)c1ccnc(Cl)c1 ZINC000823387102 607408144 /nfs/dbraw/zinc/40/81/44/607408144.db2.gz CNUQRFVIWQGLPZ-UHFFFAOYSA-N -1 3 360.830 3.108 20 0 FGADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCC2)c1ccnc(Cl)c1 ZINC000823387102 607408146 /nfs/dbraw/zinc/40/81/46/607408146.db2.gz CNUQRFVIWQGLPZ-UHFFFAOYSA-N -1 3 360.830 3.108 20 0 FGADHM CCc1[nH]c(C(=O)N(CCN(C)C)Cc2cccc(C)c2)c(C)c1C(=O)[O-] ZINC000737240074 599951400 /nfs/dbraw/zinc/95/14/00/599951400.db2.gz FLJKQYKCUCYAPG-UHFFFAOYSA-N -1 3 371.481 3.096 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)[C@H]1SCCc2sccc21 ZINC000826253499 607409655 /nfs/dbraw/zinc/40/96/55/607409655.db2.gz SORHQPHXFFDIDZ-HNNXBMFYSA-N -1 3 372.475 3.310 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)[C@H]1SCCc2sccc21 ZINC000826253499 607409656 /nfs/dbraw/zinc/40/96/56/607409656.db2.gz SORHQPHXFFDIDZ-HNNXBMFYSA-N -1 3 372.475 3.310 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)Cc1ccc2ccccc2c1 ZINC000821741191 607411718 /nfs/dbraw/zinc/41/17/18/607411718.db2.gz INASKXGIUNLIBE-UHFFFAOYSA-N -1 3 374.400 3.314 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)Cc1ccc2ccccc2c1 ZINC000821741191 607411720 /nfs/dbraw/zinc/41/17/20/607411720.db2.gz INASKXGIUNLIBE-UHFFFAOYSA-N -1 3 374.400 3.314 20 0 FGADHM Cc1nc(C(C)C)sc1C(=O)OCc1ccc(-c2nnn[n-]2)cc1C ZINC000826254702 607411868 /nfs/dbraw/zinc/41/18/68/607411868.db2.gz XHVASXBNZPKRSZ-UHFFFAOYSA-N -1 3 357.439 3.420 20 0 FGADHM Cc1nc(C(C)C)sc1C(=O)OCc1ccc(-c2nn[n-]n2)cc1C ZINC000826254702 607411870 /nfs/dbraw/zinc/41/18/70/607411870.db2.gz XHVASXBNZPKRSZ-UHFFFAOYSA-N -1 3 357.439 3.420 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)c1cnc2ccccc2c1C ZINC000826254636 607412130 /nfs/dbraw/zinc/41/21/30/607412130.db2.gz VAXJMPGCWMJUIM-UHFFFAOYSA-N -1 3 359.389 3.389 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)c1cnc2ccccc2c1C ZINC000826254636 607412132 /nfs/dbraw/zinc/41/21/32/607412132.db2.gz VAXJMPGCWMJUIM-UHFFFAOYSA-N -1 3 359.389 3.389 20 0 FGADHM O=C(Cc1cccc2ccccc21)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826423368 607414772 /nfs/dbraw/zinc/41/47/72/607414772.db2.gz LMTHQZYGWHSCAR-UHFFFAOYSA-N -1 3 369.428 3.368 20 0 FGADHM O=C(Cc1cccc2ccccc21)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826423368 607414773 /nfs/dbraw/zinc/41/47/73/607414773.db2.gz LMTHQZYGWHSCAR-UHFFFAOYSA-N -1 3 369.428 3.368 20 0 FGADHM CC(C)c1ccc([C@H](NCC(=O)N2CCC(C(=O)[O-])CC2)C(C)C)cc1 ZINC000736513641 600055706 /nfs/dbraw/zinc/05/57/06/600055706.db2.gz UEPRHALPDBAQDE-HXUWFJFHSA-N -1 3 360.498 3.420 20 0 FGADHM Cc1oc(C(=O)[O-])cc1CN1CCC(CN(C)C(=O)OC(C)(C)C)CC1 ZINC000738957122 600105194 /nfs/dbraw/zinc/10/51/94/600105194.db2.gz HKWFBWWPSAATAR-UHFFFAOYSA-N -1 3 366.458 3.365 20 0 FGADHM CC(C)[C@H](NCC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-])c1ccccc1 ZINC000736388667 600117841 /nfs/dbraw/zinc/11/78/41/600117841.db2.gz BZJIBWYMCQRXCA-FPOVZHCZSA-N -1 3 366.461 3.011 20 0 FGADHM Cc1cc(Cl)cc(C(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)c1 ZINC000826267607 607420727 /nfs/dbraw/zinc/42/07/27/607420727.db2.gz MOUPDDZUSMLPDA-UHFFFAOYSA-N -1 3 353.813 3.248 20 0 FGADHM Cc1cc(Cl)cc(C(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)c1 ZINC000826267607 607420729 /nfs/dbraw/zinc/42/07/29/607420729.db2.gz MOUPDDZUSMLPDA-UHFFFAOYSA-N -1 3 353.813 3.248 20 0 FGADHM CCN1CCC[C@H](NC(=O)Nc2cccc(CSCCC(=O)[O-])c2)C1 ZINC000737117437 600124162 /nfs/dbraw/zinc/12/41/62/600124162.db2.gz ZZGROEPJXYFTPS-INIZCTEOSA-N -1 3 365.499 3.000 20 0 FGADHM CC(C)c1ccc(C(=O)OCCCOc2cccc(-c3nnn[n-]3)c2)cn1 ZINC000820192804 607422352 /nfs/dbraw/zinc/42/23/52/607422352.db2.gz ZZVIJFQVXNKGFU-UHFFFAOYSA-N -1 3 367.409 3.011 20 0 FGADHM CC(C)c1ccc(C(=O)OCCCOc2cccc(-c3nn[n-]n3)c2)cn1 ZINC000820192804 607422354 /nfs/dbraw/zinc/42/23/54/607422354.db2.gz ZZVIJFQVXNKGFU-UHFFFAOYSA-N -1 3 367.409 3.011 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21 ZINC000822217664 607422971 /nfs/dbraw/zinc/42/29/71/607422971.db2.gz KNECEZIFAAJHNV-BPQIPLTHSA-N -1 3 360.421 3.025 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21 ZINC000822217664 607422973 /nfs/dbraw/zinc/42/29/73/607422973.db2.gz KNECEZIFAAJHNV-BPQIPLTHSA-N -1 3 360.421 3.025 20 0 FGADHM CC(=CC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1cccc(F)c1 ZINC000823943536 607423300 /nfs/dbraw/zinc/42/33/00/607423300.db2.gz QDONJKDLZNGDCN-RAXLEYEMSA-N -1 3 363.396 3.215 20 0 FGADHM CC(=CC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1cccc(F)c1 ZINC000823943536 607423301 /nfs/dbraw/zinc/42/33/01/607423301.db2.gz QDONJKDLZNGDCN-RAXLEYEMSA-N -1 3 363.396 3.215 20 0 FGADHM C[C@H]1C[C@@H](c2ccccc2)CN1CC(=O)N(C)c1ccccc1C(=O)[O-] ZINC000736761635 600178823 /nfs/dbraw/zinc/17/88/23/600178823.db2.gz OPZFMJWOGCVOGW-DOTOQJQBSA-N -1 3 352.434 3.226 20 0 FGADHM CC(C)CNC(=O)c1cccc(CN(C)[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC000736440402 600215656 /nfs/dbraw/zinc/21/56/56/600215656.db2.gz MPXQQFZDCBCKBV-LJQANCHMSA-N -1 3 354.450 3.330 20 0 FGADHM CN(C(=O)c1cc(C(F)(F)F)ccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000825826073 607433983 /nfs/dbraw/zinc/43/39/83/607433983.db2.gz VFFACZIQOPHKEN-UHFFFAOYSA-N -1 3 365.290 3.301 20 0 FGADHM CN(C(=O)c1cc(C(F)(F)F)ccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000825826073 607433985 /nfs/dbraw/zinc/43/39/85/607433985.db2.gz VFFACZIQOPHKEN-UHFFFAOYSA-N -1 3 365.290 3.301 20 0 FGADHM O=C([O-])CCN(Cc1ccc(F)c(F)c1)C[C@H](O)c1ccc(F)c(F)c1 ZINC000739720012 600329285 /nfs/dbraw/zinc/32/92/85/600329285.db2.gz GFTFPMGBOGRICM-KRWDZBQOSA-N -1 3 371.330 3.253 20 0 FGADHM CN(C)Cc1c2ccccc2oc1C(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000737368777 600383403 /nfs/dbraw/zinc/38/34/03/600383403.db2.gz UHAPRRXFZHKEFQ-UHFFFAOYSA-N -1 3 366.417 3.465 20 0 FGADHM O=C([O-])[C@@H](c1ccccc1)N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000738525277 600401312 /nfs/dbraw/zinc/40/13/12/600401312.db2.gz JKQYONPHVXTXPL-GOSISDBHSA-N -1 3 372.852 3.314 20 0 FGADHM O=C([O-])[C@@H](NCc1cccc(NC(=O)c2ccncc2)c1)c1ccccc1 ZINC000738511750 600427876 /nfs/dbraw/zinc/42/78/76/600427876.db2.gz YNFNFFWVXDTQCW-IBGZPJMESA-N -1 3 361.401 3.249 20 0 FGADHM CC[C@H](CSc1ccccc1)NC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000825128785 607772340 /nfs/dbraw/zinc/77/23/40/607772340.db2.gz YLLOBHKYBHNKCZ-MRXNPFEDSA-N -1 3 367.478 3.096 20 0 FGADHM CC[C@H](CSc1ccccc1)NC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000825128785 607772341 /nfs/dbraw/zinc/77/23/41/607772341.db2.gz YLLOBHKYBHNKCZ-MRXNPFEDSA-N -1 3 367.478 3.096 20 0 FGADHM CN(C)Cc1ccc(C(=O)Nc2ccc(OCCCC(=O)[O-])cc2)cc1 ZINC000737370640 600480765 /nfs/dbraw/zinc/48/07/65/600480765.db2.gz OGCWOIHRRKOYHS-UHFFFAOYSA-N -1 3 356.422 3.244 20 0 FGADHM Cc1cc(C)n(-c2ccc(C(=O)OCc3cccc(-c4nnn[n-]4)c3)cc2)n1 ZINC000822197960 607449505 /nfs/dbraw/zinc/44/95/05/607449505.db2.gz WMBORHHYVJZNOL-UHFFFAOYSA-N -1 3 374.404 3.026 20 0 FGADHM Cc1cc(C)n(-c2ccc(C(=O)OCc3cccc(-c4nn[n-]n4)c3)cc2)n1 ZINC000822197960 607449508 /nfs/dbraw/zinc/44/95/08/607449508.db2.gz WMBORHHYVJZNOL-UHFFFAOYSA-N -1 3 374.404 3.026 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NC[C@H](Nc1ccccc1)C(C)C ZINC000826247732 607455606 /nfs/dbraw/zinc/45/56/06/607455606.db2.gz MLMPSEAPSDJNKI-SFHVURJKSA-N -1 3 364.453 3.042 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NC[C@H](Nc1ccccc1)C(C)C ZINC000826247732 607455607 /nfs/dbraw/zinc/45/56/07/607455607.db2.gz MLMPSEAPSDJNKI-SFHVURJKSA-N -1 3 364.453 3.042 20 0 FGADHM CCCCn1ncc(Nc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)c1C ZINC000821082435 607467259 /nfs/dbraw/zinc/46/72/59/607467259.db2.gz KRGIHSRGYIENSD-UHFFFAOYSA-N -1 3 366.351 3.329 20 0 FGADHM CCCCn1ncc(Nc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)c1C ZINC000821082435 607467261 /nfs/dbraw/zinc/46/72/61/607467261.db2.gz KRGIHSRGYIENSD-UHFFFAOYSA-N -1 3 366.351 3.329 20 0 FGADHM CC(C)CN1CCN(Cc2csc(-c3cccc(C(=O)[O-])c3)n2)CC1 ZINC000826885581 600814602 /nfs/dbraw/zinc/81/46/02/600814602.db2.gz CKVUECHTSVFPJP-UHFFFAOYSA-N -1 3 359.495 3.282 20 0 FGADHM CC(C)(C(=O)[O-])c1ccc(NC(=O)CC2(N3CCOCC3)CCCC2)cc1 ZINC000736230926 600878223 /nfs/dbraw/zinc/87/82/23/600878223.db2.gz VZIQHKNBXULDGG-UHFFFAOYSA-N -1 3 374.481 3.022 20 0 FGADHM CC(C)N(C(=O)CN[C@@H](c1ccccc1)[C@H](C)C(=O)[O-])c1ccccc1 ZINC000826044035 601200812 /nfs/dbraw/zinc/20/08/12/601200812.db2.gz BGGSVVVMZPELCF-OXJNMPFZSA-N -1 3 354.450 3.480 20 0 FGADHM C[C@@H](C(=O)[O-])[C@H](NCC(=O)N1CCSc2ccccc21)c1ccccc1 ZINC000826045728 601203519 /nfs/dbraw/zinc/20/35/19/601203519.db2.gz XZLBQZFBCDJVEU-KUHUBIRLSA-N -1 3 370.474 3.177 20 0 FGADHM CCOc1ccc(NC(=O)CN[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])cc1 ZINC000830085370 601655570 /nfs/dbraw/zinc/65/55/70/601655570.db2.gz UZAZNEUCRYOBKC-IFXJQAMLSA-N -1 3 356.422 3.075 20 0 FGADHM c1c2ccccc2[nH]c1[C@@H]1CCCCN1Cc1ccnc(-c2nnn[n-]2)c1 ZINC000826522473 607520925 /nfs/dbraw/zinc/52/09/25/607520925.db2.gz CAPXUCFDUUFLNE-IBGZPJMESA-N -1 3 359.437 3.470 20 0 FGADHM Cc1ccc(CN(C)C)cc1NC(=O)c1cc(C)c(OCC(=O)[O-])c(C)c1 ZINC000832932414 601736387 /nfs/dbraw/zinc/73/63/87/601736387.db2.gz WYYNAJXTKHHIHR-UHFFFAOYSA-N -1 3 370.449 3.389 20 0 FGADHM O=C([O-])CCC1CCN(C(=O)N[C@H](CN2CCCC2)c2ccccc2)CC1 ZINC000659394613 601824763 /nfs/dbraw/zinc/82/47/63/601824763.db2.gz UFGPMODGSAMMTB-LJQANCHMSA-N -1 3 373.497 3.110 20 0 FGADHM Cc1ccc(CNC(=O)C2CCN(Cc3ccsc3C(=O)[O-])CC2)cc1 ZINC000832932573 601838898 /nfs/dbraw/zinc/83/88/98/601838898.db2.gz POIOPENMFSBAMZ-UHFFFAOYSA-N -1 3 372.490 3.283 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)CC[C@@H](C)c1ccccc1 ZINC000826174309 607530983 /nfs/dbraw/zinc/53/09/83/607530983.db2.gz RKPRVXIIBAEBEW-CYBMUJFWSA-N -1 3 352.394 3.365 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)CC[C@@H](C)c1ccccc1 ZINC000826174309 607530985 /nfs/dbraw/zinc/53/09/85/607530985.db2.gz RKPRVXIIBAEBEW-CYBMUJFWSA-N -1 3 352.394 3.365 20 0 FGADHM Cc1cc(F)ccc1[C@H](O)CN(C)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000832890548 601907093 /nfs/dbraw/zinc/90/70/93/601907093.db2.gz WMTMSZDDOFDQEA-WBVHZDCISA-N -1 3 371.330 3.343 20 0 FGADHM C[C@@H](CN(CC(=O)N[C@H](c1cccs1)C(C)(C)C)C1CC1)C(=O)[O-] ZINC000827449687 601917881 /nfs/dbraw/zinc/91/78/81/601917881.db2.gz NUOAOMNPPQXGNO-BLLLJJGKSA-N -1 3 352.500 3.137 20 0 FGADHM O=C([O-])c1ccc(CN2CCC(C(=O)Nc3ccccc3O)CC2)s1 ZINC000833315173 601940358 /nfs/dbraw/zinc/94/03/58/601940358.db2.gz SYLAWFPXEBWXHR-UHFFFAOYSA-N -1 3 360.435 3.003 20 0 FGADHM Cc1cccc(NC(=O)[C@H]2CCCN(Cc3ccc(C(=O)[O-])s3)C2)n1 ZINC000832970375 601942836 /nfs/dbraw/zinc/94/28/36/601942836.db2.gz IPIJETFHIHJDHL-ZDUSSCGKSA-N -1 3 359.451 3.000 20 0 FGADHM Cc1ccccc1C(=O)NC1CCN(Cc2ccc(C(=O)[O-])s2)CC1 ZINC000832976593 601943273 /nfs/dbraw/zinc/94/32/73/601943273.db2.gz TYFZMDJOXIOPES-UHFFFAOYSA-N -1 3 358.463 3.149 20 0 FGADHM COc1cc(OC)cc([C@H](NCc2ccc(OC(F)F)cc2)C(=O)[O-])c1 ZINC000832056543 602164187 /nfs/dbraw/zinc/16/41/87/602164187.db2.gz GFGVAPSVYNWFIX-INIZCTEOSA-N -1 3 367.348 3.221 20 0 FGADHM CC[C@](C)(CC(=O)[O-])NCc1csc(CC(=O)Nc2ccccc2)n1 ZINC000828671955 602220528 /nfs/dbraw/zinc/22/05/28/602220528.db2.gz IZTCDXRLACCLIL-GOSISDBHSA-N -1 3 361.467 3.057 20 0 FGADHM COc1ccc2nc(NCc3ccc(OC)c(-c4nnn[n-]4)c3)ccc2c1 ZINC000826213814 607560562 /nfs/dbraw/zinc/56/05/62/607560562.db2.gz NRHUYIRUNXUGHV-UHFFFAOYSA-N -1 3 362.393 3.044 20 0 FGADHM COc1ccc2nc(NCc3ccc(OC)c(-c4nn[n-]n4)c3)ccc2c1 ZINC000826213814 607560564 /nfs/dbraw/zinc/56/05/64/607560564.db2.gz NRHUYIRUNXUGHV-UHFFFAOYSA-N -1 3 362.393 3.044 20 0 FGADHM CCc1ccc2c(CN3CCC([C@H](C)NC(=O)[O-])CC3)cc(=O)oc2c1 ZINC000739543044 602448908 /nfs/dbraw/zinc/44/89/08/602448908.db2.gz VFCOWPBUQKYRQG-ZDUSSCGKSA-N -1 3 358.438 3.224 20 0 FGADHM C[C@H](NC(=O)[O-])C1CCN(Cc2cc(=O)oc3cc4c(cc23)CCC4)CC1 ZINC000739012859 602449366 /nfs/dbraw/zinc/44/93/66/602449366.db2.gz ALOZNMHLLXYGKV-ZDUSSCGKSA-N -1 3 370.449 3.150 20 0 FGADHM CN(C)Cc1ccc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])cc1 ZINC000739610267 602510022 /nfs/dbraw/zinc/51/00/22/602510022.db2.gz PEWXDSKGKAXACZ-UHFFFAOYSA-N -1 3 353.422 3.431 20 0 FGADHM CN(C)Cc1cccc(NC(=O)N[C@H](CNC(=O)[O-])C2CCCCC2)c1 ZINC000739614809 602573490 /nfs/dbraw/zinc/57/34/90/602573490.db2.gz JUVUSHVWFPCWSA-QGZVFWFLSA-N -1 3 362.474 3.086 20 0 FGADHM Cc1nn(-c2ccc(F)cc2)c(Cl)c1CNCC[C@H](C)NC(=O)[O-] ZINC000740247522 602650757 /nfs/dbraw/zinc/65/07/57/602650757.db2.gz VLMZBMBZEKFEMJ-JTQLQIEISA-N -1 3 354.813 3.109 20 0 FGADHM Cc1nn(C)c(Oc2ccccc2)c1CNCC[C@@H]1CCN(C(=O)[O-])C1 ZINC000740246962 602687212 /nfs/dbraw/zinc/68/72/12/602687212.db2.gz SHDIQLHPECFSSC-OAHLLOKOSA-N -1 3 358.442 3.000 20 0 FGADHM Cc1c(NC(=O)c2cccc(-c3nnn[n-]3)c2)cnn1-c1cc(C)ccc1C ZINC000826284066 607587904 /nfs/dbraw/zinc/58/79/04/607587904.db2.gz IZZCUAVYGAEFBV-UHFFFAOYSA-N -1 3 373.420 3.230 20 0 FGADHM Cc1c(NC(=O)c2cccc(-c3nn[n-]n3)c2)cnn1-c1cc(C)ccc1C ZINC000826284066 607587905 /nfs/dbraw/zinc/58/79/05/607587905.db2.gz IZZCUAVYGAEFBV-UHFFFAOYSA-N -1 3 373.420 3.230 20 0 FGADHM Cc1ccc(C(=O)Nc2cccc(CN[C@@H]3CCN(C(=O)[O-])C3)c2)cc1 ZINC000740108461 602876485 /nfs/dbraw/zinc/87/64/85/602876485.db2.gz XGLJOUHUJJQMKX-GOSISDBHSA-N -1 3 353.422 3.089 20 0 FGADHM COc1ccc(COC(=O)CCc2ccc(Cl)cc2)cc1-c1nnn[n-]1 ZINC000826204994 607598731 /nfs/dbraw/zinc/59/87/31/607598731.db2.gz GIZJAHFGKKQGGB-UHFFFAOYSA-N -1 3 372.812 3.205 20 0 FGADHM COc1ccc(COC(=O)CCc2ccc(Cl)cc2)cc1-c1nn[n-]n1 ZINC000826204994 607598733 /nfs/dbraw/zinc/59/87/33/607598733.db2.gz GIZJAHFGKKQGGB-UHFFFAOYSA-N -1 3 372.812 3.205 20 0 FGADHM COc1ccc(COC(=O)C[C@H](C)c2ccc(F)cc2)cc1-c1nnn[n-]1 ZINC000826205304 607607194 /nfs/dbraw/zinc/60/71/94/607607194.db2.gz RHPDLUMLFMIOEI-LBPRGKRZSA-N -1 3 370.384 3.251 20 0 FGADHM COc1ccc(COC(=O)C[C@H](C)c2ccc(F)cc2)cc1-c1nn[n-]n1 ZINC000826205304 607607196 /nfs/dbraw/zinc/60/71/96/607607196.db2.gz RHPDLUMLFMIOEI-LBPRGKRZSA-N -1 3 370.384 3.251 20 0 FGADHM COc1ccc(COC(=O)C(C)(C)Cc2ccccc2)cc1-c1nnn[n-]1 ZINC000826204649 607607207 /nfs/dbraw/zinc/60/72/07/607607207.db2.gz UEGONUIDYWMYLD-UHFFFAOYSA-N -1 3 366.421 3.187 20 0 FGADHM COc1ccc(COC(=O)C(C)(C)Cc2ccccc2)cc1-c1nn[n-]n1 ZINC000826204649 607607209 /nfs/dbraw/zinc/60/72/09/607607209.db2.gz UEGONUIDYWMYLD-UHFFFAOYSA-N -1 3 366.421 3.187 20 0 FGADHM COc1ccc(COC(=O)[C@H]2CCCc3sccc32)cc1-c1nnn[n-]1 ZINC000826205376 607613759 /nfs/dbraw/zinc/61/37/59/607613759.db2.gz UJWZBNDBZUSYPK-ZDUSSCGKSA-N -1 3 370.434 3.100 20 0 FGADHM COc1ccc(COC(=O)[C@H]2CCCc3sccc32)cc1-c1nn[n-]n1 ZINC000826205376 607613760 /nfs/dbraw/zinc/61/37/60/607613760.db2.gz UJWZBNDBZUSYPK-ZDUSSCGKSA-N -1 3 370.434 3.100 20 0 FGADHM Cc1cc(NC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)c(C)cn1 ZINC000826270874 607614472 /nfs/dbraw/zinc/61/44/72/607614472.db2.gz RYMNHZIPMXLCFU-UHFFFAOYSA-N -1 3 370.416 3.220 20 0 FGADHM Cc1cc(NC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)c(C)cn1 ZINC000826270874 607614473 /nfs/dbraw/zinc/61/44/73/607614473.db2.gz RYMNHZIPMXLCFU-UHFFFAOYSA-N -1 3 370.416 3.220 20 0 FGADHM O=C([O-])Nc1ccc(CNCCOc2cccc(Br)c2)cn1 ZINC000832841773 603542787 /nfs/dbraw/zinc/54/27/87/603542787.db2.gz GLEUYMVAZJXCKM-UHFFFAOYSA-N -1 3 366.215 3.103 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000826244323 607646546 /nfs/dbraw/zinc/64/65/46/607646546.db2.gz OHKKSMJUWAERSI-UHFFFAOYSA-N -1 3 361.449 3.270 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000826244323 607646549 /nfs/dbraw/zinc/64/65/49/607646549.db2.gz OHKKSMJUWAERSI-UHFFFAOYSA-N -1 3 361.449 3.270 20 0 FGADHM CN(C)C(=O)Sc1cccc(CN2CCC[C@H](CN(C)C(=O)[O-])C2)c1 ZINC000827975189 603734715 /nfs/dbraw/zinc/73/47/15/603734715.db2.gz JPRPXAOYJNKJKO-OAHLLOKOSA-N -1 3 365.499 3.282 20 0 FGADHM CCOc1ccc([C@@H](C)NC(=O)c2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000825632608 607652803 /nfs/dbraw/zinc/65/28/03/607652803.db2.gz XVMRMXJIUUTSOU-CYBMUJFWSA-N -1 3 351.410 3.065 20 0 FGADHM CCOc1ccc([C@@H](C)NC(=O)c2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000825632608 607652804 /nfs/dbraw/zinc/65/28/04/607652804.db2.gz XVMRMXJIUUTSOU-CYBMUJFWSA-N -1 3 351.410 3.065 20 0 FGADHM COc1cccc([C@H]2CCCN2C(=O)c2ccc(-c3nnn[n-]3)cc2C)c1 ZINC000826215014 607653403 /nfs/dbraw/zinc/65/34/03/607653403.db2.gz DIOQAOZGUZADSS-GOSISDBHSA-N -1 3 363.421 3.161 20 0 FGADHM COc1cccc([C@H]2CCCN2C(=O)c2ccc(-c3nn[n-]n3)cc2C)c1 ZINC000826215014 607653404 /nfs/dbraw/zinc/65/34/04/607653404.db2.gz DIOQAOZGUZADSS-GOSISDBHSA-N -1 3 363.421 3.161 20 0 FGADHM C[C@@H]1C[C@@H](NC(=O)c2ccc(NC(=O)[O-])cc2)CN1Cc1ccccc1 ZINC000825853362 604006582 /nfs/dbraw/zinc/00/65/82/604006582.db2.gz XHJDSALCWIVUPH-RDTXWAMCSA-N -1 3 353.422 3.169 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NCc1ccc(-c2ccccc2)o1 ZINC000826249169 607666668 /nfs/dbraw/zinc/66/66/68/607666668.db2.gz OYOQTFMMCBIROY-UHFFFAOYSA-N -1 3 359.389 3.365 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NCc1ccc(-c2ccccc2)o1 ZINC000826249169 607666670 /nfs/dbraw/zinc/66/66/70/607666670.db2.gz OYOQTFMMCBIROY-UHFFFAOYSA-N -1 3 359.389 3.365 20 0 FGADHM CN(C[C@H]1CCCN1Cc1ccc(OCc2ccncc2)cc1)C(=O)[O-] ZINC000828229278 604088673 /nfs/dbraw/zinc/08/86/73/604088673.db2.gz BHADNCCBURXOQC-GOSISDBHSA-N -1 3 355.438 3.235 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(C1CC1)[C@H]1CCc2ccccc21 ZINC000826243850 607673852 /nfs/dbraw/zinc/67/38/52/607673852.db2.gz XOAICGGJJZPYEU-IBGZPJMESA-N -1 3 359.433 3.467 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(C1CC1)[C@H]1CCc2ccccc21 ZINC000826243850 607673853 /nfs/dbraw/zinc/67/38/53/607673853.db2.gz XOAICGGJJZPYEU-IBGZPJMESA-N -1 3 359.433 3.467 20 0 FGADHM Cc1cc2oc(=O)cc(CN3CCC[C@H]([C@H](C)NC(=O)[O-])C3)c2cc1C ZINC000830143062 604259580 /nfs/dbraw/zinc/25/95/80/604259580.db2.gz DDOJBEVSZHDXKB-GJZGRUSLSA-N -1 3 358.438 3.278 20 0 FGADHM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000832922274 604298380 /nfs/dbraw/zinc/29/83/80/604298380.db2.gz GCESNEFBNRBKPP-KRWDZBQOSA-N -1 3 369.465 3.205 20 0 FGADHM Cc1cc(NC(=O)c2ccc(-c3nnn[n-]3)cc2C)n(-c2ccccc2C)n1 ZINC000826270811 607683728 /nfs/dbraw/zinc/68/37/28/607683728.db2.gz PWDDURPQYWDSQR-UHFFFAOYSA-N -1 3 373.420 3.230 20 0 FGADHM Cc1cc(NC(=O)c2ccc(-c3nn[n-]n3)cc2C)n(-c2ccccc2C)n1 ZINC000826270811 607683729 /nfs/dbraw/zinc/68/37/29/607683729.db2.gz PWDDURPQYWDSQR-UHFFFAOYSA-N -1 3 373.420 3.230 20 0 FGADHM CN1CCC(N(C(=O)c2ccc(C(=O)[O-])c(F)c2)c2ccccc2)CC1 ZINC000830923824 604387970 /nfs/dbraw/zinc/38/79/70/604387970.db2.gz SVHYCHLPVWVGMN-UHFFFAOYSA-N -1 3 356.397 3.265 20 0 FGADHM O=C(c1ccc(-c2nnn[n-]2)[nH]1)N(CCc1ccccc1)Cc1ccccc1 ZINC000826471104 607690639 /nfs/dbraw/zinc/69/06/39/607690639.db2.gz NNFYASFOVWGVGS-UHFFFAOYSA-N -1 3 372.432 3.080 20 0 FGADHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N(CCc1ccccc1)Cc1ccccc1 ZINC000826471104 607690641 /nfs/dbraw/zinc/69/06/41/607690641.db2.gz NNFYASFOVWGVGS-UHFFFAOYSA-N -1 3 372.432 3.080 20 0 FGADHM O=C(Nc1cc(Cl)ccc1N1CCCCC1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826451329 607690843 /nfs/dbraw/zinc/69/08/43/607690843.db2.gz BEDMDFHYUPBVFY-UHFFFAOYSA-N -1 3 371.832 3.091 20 0 FGADHM O=C(Nc1cc(Cl)ccc1N1CCCCC1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826451329 607690845 /nfs/dbraw/zinc/69/08/45/607690845.db2.gz BEDMDFHYUPBVFY-UHFFFAOYSA-N -1 3 371.832 3.091 20 0 FGADHM CCSc1ccc(CC(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000825673780 607693841 /nfs/dbraw/zinc/69/38/41/607693841.db2.gz BUAODJFVEWYFCT-CYBMUJFWSA-N -1 3 367.478 3.399 20 0 FGADHM CCSc1ccc(CC(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825673780 607693842 /nfs/dbraw/zinc/69/38/42/607693842.db2.gz BUAODJFVEWYFCT-CYBMUJFWSA-N -1 3 367.478 3.399 20 0 FGADHM CCN(C(=O)c1ccc(-c2nnn[n-]2)[nH]1)[C@@H](C)c1cc2ccccc2o1 ZINC000825380834 607705336 /nfs/dbraw/zinc/70/53/36/607705336.db2.gz UXMYALOCBLNNOJ-NSHDSACASA-N -1 3 350.382 3.164 20 0 FGADHM CCN(C(=O)c1ccc(-c2nn[n-]n2)[nH]1)[C@@H](C)c1cc2ccccc2o1 ZINC000825380834 607705338 /nfs/dbraw/zinc/70/53/38/607705338.db2.gz UXMYALOCBLNNOJ-NSHDSACASA-N -1 3 350.382 3.164 20 0 FGADHM O=C([O-])[C@H]1CC12CCN(Cc1ccccc1OCc1cccnc1)CC2 ZINC000833771509 604649935 /nfs/dbraw/zinc/64/99/35/604649935.db2.gz HTHGFGJXVHEKOB-GOSISDBHSA-N -1 3 352.434 3.347 20 0 FGADHM COc1cccc(OCCSc2nc(C)cc(C)c2-c2nnn[n-]2)c1 ZINC000826217587 607708859 /nfs/dbraw/zinc/70/88/59/607708859.db2.gz UFTUMXDUNUWTTP-UHFFFAOYSA-N -1 3 357.439 3.058 20 0 FGADHM COc1cccc(OCCSc2nc(C)cc(C)c2-c2nn[n-]n2)c1 ZINC000826217587 607708861 /nfs/dbraw/zinc/70/88/61/607708861.db2.gz UFTUMXDUNUWTTP-UHFFFAOYSA-N -1 3 357.439 3.058 20 0 FGADHM Cc1ccccc1CN(Cc1ccccc1)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826306707 607712223 /nfs/dbraw/zinc/71/22/23/607712223.db2.gz IUAOEMKUQMZVHG-UHFFFAOYSA-N -1 3 372.432 3.346 20 0 FGADHM Cc1ccccc1CN(Cc1ccccc1)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826306707 607712225 /nfs/dbraw/zinc/71/22/25/607712225.db2.gz IUAOEMKUQMZVHG-UHFFFAOYSA-N -1 3 372.432 3.346 20 0 FGADHM CN(C(=O)c1ccc(NC(=O)[O-])cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000827938743 604899681 /nfs/dbraw/zinc/89/96/81/604899681.db2.gz QELZRSCJRJBSBY-GOSISDBHSA-N -1 3 353.422 3.123 20 0 FGADHM CC(C)(C(=O)[O-])[C@@H]1CCCN([C@@H]2CCN(c3ccc(Cl)cc3)C2=O)C1 ZINC000833417282 604937097 /nfs/dbraw/zinc/93/70/97/604937097.db2.gz OKGVLWDXQRUSKT-CZUORRHYSA-N -1 3 364.873 3.268 20 0 FGADHM C[C@@H](C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1)N1[C@H](C)CC[C@@H]1C ZINC000828214818 604942192 /nfs/dbraw/zinc/94/21/92/604942192.db2.gz UCQXYFCBFSWZDT-TUAOUCFPSA-N -1 3 354.834 3.003 20 0 FGADHM CC(C)(C(=O)[O-])[C@H]1CCCN(CC(=O)N[C@@H](c2ccccc2)C2CC2)C1 ZINC000833421189 604947504 /nfs/dbraw/zinc/94/75/04/604947504.db2.gz JRLAQMCQTQJRQY-HKUYNNGSSA-N -1 3 358.482 3.077 20 0 FGADHM CC(C)(C(=O)[O-])[C@H]1CCCN(C[C@H](O)c2cccc(Br)c2)C1 ZINC000833421188 604950686 /nfs/dbraw/zinc/95/06/86/604950686.db2.gz JPCITCSCQKGATR-ZFWWWQNUSA-N -1 3 370.287 3.305 20 0 FGADHM Clc1cc(-c2nnn[n-]2)cnc1N1CCS[C@@H](c2ccccc2)C1 ZINC000826350664 607728195 /nfs/dbraw/zinc/72/81/95/607728195.db2.gz GKTHFMCRRFZTSI-CQSZACIVSA-N -1 3 358.858 3.210 20 0 FGADHM Clc1cc(-c2nn[n-]n2)cnc1N1CCS[C@@H](c2ccccc2)C1 ZINC000826350664 607728197 /nfs/dbraw/zinc/72/81/97/607728197.db2.gz GKTHFMCRRFZTSI-CQSZACIVSA-N -1 3 358.858 3.210 20 0 FGADHM CC(C)(C)OC(=O)N1CCC2(CCN(Cc3ccc(C(=O)[O-])o3)C2)CC1 ZINC000833436451 605019800 /nfs/dbraw/zinc/01/98/00/605019800.db2.gz HOOIHUZJCLPNJQ-UHFFFAOYSA-N -1 3 364.442 3.201 20 0 FGADHM CN(C)Cc1cccc(NC(=O)N[C@H](CCC(=O)[O-])Cc2ccccc2)c1 ZINC000833689661 605029902 /nfs/dbraw/zinc/02/99/02/605029902.db2.gz NOJPNSXOWWBPNF-LJQANCHMSA-N -1 3 369.465 3.346 20 0 FGADHM CC(C)(COc1ccc(C(F)(F)F)cn1)NCc1ccoc1C(=O)[O-] ZINC000833462068 605119617 /nfs/dbraw/zinc/11/96/17/605119617.db2.gz VBORAUWSFFCSRD-UHFFFAOYSA-N -1 3 358.316 3.339 20 0 FGADHM O=C([O-])NC1C[C@H]2CCC[C@@H](C1)N2C(=O)c1cccc(CN2CCCC2)c1 ZINC000832235045 605151950 /nfs/dbraw/zinc/15/19/50/605151950.db2.gz ULPCJAJGVOHBGV-YQQQUEKLSA-N -1 3 371.481 3.076 20 0 FGADHM CCCN(Cc1nnc(-c2ccc(OC)cc2)o1)C1CCN(C(=O)[O-])CC1 ZINC000826916246 605474307 /nfs/dbraw/zinc/47/43/07/605474307.db2.gz GWYBRQSQMXKMBK-UHFFFAOYSA-N -1 3 374.441 3.100 20 0 FGADHM CN(C)Cc1ccc(-c2noc(C[C@@H](NC(=O)[O-])c3ccccc3)n2)cc1 ZINC000828042766 605475310 /nfs/dbraw/zinc/47/53/10/605475310.db2.gz PDDKLVAXNMSWJV-QGZVFWFLSA-N -1 3 366.421 3.350 20 0 FGADHM O=C([O-])N1CCC(N(Cc2cnn(-c3ccc(F)cc3)c2)C2CC2)CC1 ZINC000834081783 605494862 /nfs/dbraw/zinc/49/48/62/605494862.db2.gz AHWXURWHYJCZSD-UHFFFAOYSA-N -1 3 358.417 3.118 20 0 FGADHM C[C@@H](C[C@H]1CCCCCN1C(=O)[O-])NCc1nccn1CC(F)(F)F ZINC000824759123 605496130 /nfs/dbraw/zinc/49/61/30/605496130.db2.gz IJFINKXBWFRPCW-QWHCGFSZSA-N -1 3 362.396 3.236 20 0 FGADHM O=C(Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)[C@@H]1CC=CCC1 ZINC000826459431 607770895 /nfs/dbraw/zinc/77/08/95/607770895.db2.gz JKBRAQSYMQBMHU-LLVKDONJSA-N -1 3 352.423 3.285 20 0 FGADHM O=C(Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)[C@@H]1CC=CCC1 ZINC000826459431 607770896 /nfs/dbraw/zinc/77/08/96/607770896.db2.gz JKBRAQSYMQBMHU-LLVKDONJSA-N -1 3 352.423 3.285 20 0 FGADHM COc1cc(NC(C)=O)ccc1[C@H](C)NC[C@H](NC(=O)[O-])c1ccccc1 ZINC000833888029 605697395 /nfs/dbraw/zinc/69/73/95/605697395.db2.gz QSMPWWDOETVCGX-UGSOOPFHSA-N -1 3 371.437 3.313 20 0 FGADHM O=C([O-])N[C@@H]1C[C@H](NCc2cccc(Cn3cccn3)c2)c2ccccc21 ZINC000834158568 605792834 /nfs/dbraw/zinc/79/28/34/605792834.db2.gz OFIZITNMXCOUQP-VQTJNVASSA-N -1 3 362.433 3.475 20 0 FGADHM CCO[C@@H](CCNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)C(C)C ZINC000821350834 606038798 /nfs/dbraw/zinc/03/87/98/606038798.db2.gz DYYKUWSEPLVWJW-NSHDSACASA-N -1 3 358.368 3.144 20 0 FGADHM CCO[C@@H](CCNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)C(C)C ZINC000821350834 606038806 /nfs/dbraw/zinc/03/88/06/606038806.db2.gz DYYKUWSEPLVWJW-NSHDSACASA-N -1 3 358.368 3.144 20 0 FGADHM COc1cc([C@@H](C)Nc2ccc(-c3nnn[n-]3)nc2)ccc1OC(C)C ZINC000821708692 606042710 /nfs/dbraw/zinc/04/27/10/606042710.db2.gz WJOBJAJRIYVJHN-GFCCVEGCSA-N -1 3 354.414 3.231 20 0 FGADHM COc1cc([C@@H](C)Nc2ccc(-c3nn[n-]n3)nc2)ccc1OC(C)C ZINC000821708692 606042714 /nfs/dbraw/zinc/04/27/14/606042714.db2.gz WJOBJAJRIYVJHN-GFCCVEGCSA-N -1 3 354.414 3.231 20 0 FGADHM COc1ccc(CNc2nc3ccccc3cc2-c2nnn[n-]2)c(OC)c1 ZINC000821824163 606049564 /nfs/dbraw/zinc/04/95/64/606049564.db2.gz IXXQAKZROHHQGG-UHFFFAOYSA-N -1 3 362.393 3.044 20 0 FGADHM COc1ccc(CNc2nc3ccccc3cc2-c2nn[n-]n2)c(OC)c1 ZINC000821824163 606049569 /nfs/dbraw/zinc/04/95/69/606049569.db2.gz IXXQAKZROHHQGG-UHFFFAOYSA-N -1 3 362.393 3.044 20 0 FGADHM CCCOc1ncccc1CNc1nc2ccccc2cc1-c1nnn[n-]1 ZINC000821139440 606058039 /nfs/dbraw/zinc/05/80/39/606058039.db2.gz ZFZABMYAMDFOSI-UHFFFAOYSA-N -1 3 361.409 3.211 20 0 FGADHM CCCOc1ncccc1CNc1nc2ccccc2cc1-c1nn[n-]n1 ZINC000821139440 606058043 /nfs/dbraw/zinc/05/80/43/606058043.db2.gz ZFZABMYAMDFOSI-UHFFFAOYSA-N -1 3 361.409 3.211 20 0 FGADHM c1ccc(OC[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)c2ccccc2)cc1 ZINC000823791534 606104904 /nfs/dbraw/zinc/10/49/04/606104904.db2.gz DNFAZPZJBGRFAL-GOSISDBHSA-N -1 3 358.405 3.494 20 0 FGADHM c1ccc(OC[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)c2ccccc2)cc1 ZINC000823791534 606104905 /nfs/dbraw/zinc/10/49/05/606104905.db2.gz DNFAZPZJBGRFAL-GOSISDBHSA-N -1 3 358.405 3.494 20 0 FGADHM C[C@@H](NC(=O)CSc1ccc(-c2nnn[n-]2)cc1)[C@@H](C)c1ccccc1 ZINC000820333823 606122938 /nfs/dbraw/zinc/12/29/38/606122938.db2.gz GXNICHQMQVXGNC-ZIAGYGMSSA-N -1 3 367.478 3.267 20 0 FGADHM C[C@@H](NC(=O)CSc1ccc(-c2nn[n-]n2)cc1)[C@@H](C)c1ccccc1 ZINC000820333823 606122941 /nfs/dbraw/zinc/12/29/41/606122941.db2.gz GXNICHQMQVXGNC-ZIAGYGMSSA-N -1 3 367.478 3.267 20 0 FGADHM CSCc1cc(C(=O)OCc2cccc(-c3nnn[n-]3)c2)ccc1F ZINC000821970227 606134806 /nfs/dbraw/zinc/13/48/06/606134806.db2.gz LVNMZFKOCLKGHH-UHFFFAOYSA-N -1 3 358.398 3.226 20 0 FGADHM CSCc1cc(C(=O)OCc2cccc(-c3nn[n-]n3)c2)ccc1F ZINC000821970227 606134808 /nfs/dbraw/zinc/13/48/08/606134808.db2.gz LVNMZFKOCLKGHH-UHFFFAOYSA-N -1 3 358.398 3.226 20 0 FGADHM C[C@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)c1nc2ccccc2o1 ZINC000820280329 606139832 /nfs/dbraw/zinc/13/98/32/606139832.db2.gz DNWFLBTXSIKRMK-SECBINFHSA-N -1 3 355.789 3.272 20 0 FGADHM C[C@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)c1nc2ccccc2o1 ZINC000820280329 606139834 /nfs/dbraw/zinc/13/98/34/606139834.db2.gz DNWFLBTXSIKRMK-SECBINFHSA-N -1 3 355.789 3.272 20 0 FGADHM COc1ccc([C@@H](C)CC(=O)OCc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000821777173 606150568 /nfs/dbraw/zinc/15/05/68/606150568.db2.gz BNXIOUWPKKAHSZ-LBPRGKRZSA-N -1 3 370.384 3.251 20 0 FGADHM COc1ccc([C@@H](C)CC(=O)OCc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000821777173 606150570 /nfs/dbraw/zinc/15/05/70/606150570.db2.gz BNXIOUWPKKAHSZ-LBPRGKRZSA-N -1 3 370.384 3.251 20 0 FGADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)c1ccc(F)c(F)c1F ZINC000823333178 606154085 /nfs/dbraw/zinc/15/40/85/606154085.db2.gz ZNZCSBQPUIFROU-UHFFFAOYSA-N -1 3 353.691 3.190 20 0 FGADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)c1ccc(F)c(F)c1F ZINC000823333178 606154087 /nfs/dbraw/zinc/15/40/87/606154087.db2.gz ZNZCSBQPUIFROU-UHFFFAOYSA-N -1 3 353.691 3.190 20 0 FGADHM Clc1cc(Cl)c2nc(CNc3cccc(-c4nnn[n-]4)c3)cn2c1 ZINC000822568627 606156256 /nfs/dbraw/zinc/15/62/56/606156256.db2.gz UJOWXJVAEGJVHI-UHFFFAOYSA-N -1 3 360.208 3.433 20 0 FGADHM Clc1cc(Cl)c2nc(CNc3cccc(-c4nn[n-]n4)c3)cn2c1 ZINC000822568627 606156257 /nfs/dbraw/zinc/15/62/57/606156257.db2.gz UJOWXJVAEGJVHI-UHFFFAOYSA-N -1 3 360.208 3.433 20 0 FGADHM C[C@@H]1[C@H](C)Sc2ccccc2N1C(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820821525 606189631 /nfs/dbraw/zinc/18/96/31/606189631.db2.gz UEEMDIVTHKGEPV-NEPJUHHUSA-N -1 3 351.435 3.396 20 0 FGADHM C[C@@H]1[C@H](C)Sc2ccccc2N1C(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820821525 606189632 /nfs/dbraw/zinc/18/96/32/606189632.db2.gz UEEMDIVTHKGEPV-NEPJUHHUSA-N -1 3 351.435 3.396 20 0 FGADHM C[C@@H]1Sc2ccccc2N(C(=O)Cc2ccc(-c3nnn[n-]3)cc2)[C@H]1C ZINC000820819388 606189865 /nfs/dbraw/zinc/18/98/65/606189865.db2.gz IERULXPLOFPRJM-STQMWFEESA-N -1 3 365.462 3.325 20 0 FGADHM C[C@@H]1Sc2ccccc2N(C(=O)Cc2ccc(-c3nn[n-]n3)cc2)[C@H]1C ZINC000820819388 606189867 /nfs/dbraw/zinc/18/98/67/606189867.db2.gz IERULXPLOFPRJM-STQMWFEESA-N -1 3 365.462 3.325 20 0 FGADHM Cc1cc(C)c(-c2nnn[n-]2)c(N2CCC(Oc3ccc(F)cc3)CC2)n1 ZINC000822190779 606220009 /nfs/dbraw/zinc/22/00/09/606220009.db2.gz AHFNMQGLDWMCSY-UHFFFAOYSA-N -1 3 368.416 3.065 20 0 FGADHM Cc1cc(C)c(-c2nn[n-]n2)c(N2CCC(Oc3ccc(F)cc3)CC2)n1 ZINC000822190779 606220012 /nfs/dbraw/zinc/22/00/12/606220012.db2.gz AHFNMQGLDWMCSY-UHFFFAOYSA-N -1 3 368.416 3.065 20 0 FGADHM CCOCCOCc1cccc(NCc2cc(-c3nnn[n-]3)cs2)c1C ZINC000821383701 606225125 /nfs/dbraw/zinc/22/51/25/606225125.db2.gz HUDLMABURQIZJK-UHFFFAOYSA-N -1 3 373.482 3.402 20 0 FGADHM CCOCCOCc1cccc(NCc2cc(-c3nn[n-]n3)cs2)c1C ZINC000821383701 606225127 /nfs/dbraw/zinc/22/51/27/606225127.db2.gz HUDLMABURQIZJK-UHFFFAOYSA-N -1 3 373.482 3.402 20 0 FGADHM C[C@@H](OC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1ccc(Cl)cc1Cl ZINC000820502968 606231099 /nfs/dbraw/zinc/23/10/99/606231099.db2.gz WTABRTBOQRCDLE-SSDOTTSWSA-N -1 3 352.181 3.420 20 0 FGADHM C[C@@H](OC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1ccc(Cl)cc1Cl ZINC000820502968 606231102 /nfs/dbraw/zinc/23/11/02/606231102.db2.gz WTABRTBOQRCDLE-SSDOTTSWSA-N -1 3 352.181 3.420 20 0 FGADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N(Cc1cccs1)Cc1cccs1 ZINC000823459983 606247570 /nfs/dbraw/zinc/24/75/70/606247570.db2.gz FGEZYKQNXPBOAR-UHFFFAOYSA-N -1 3 370.463 3.160 20 0 FGADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N(Cc1cccs1)Cc1cccs1 ZINC000823459983 606247571 /nfs/dbraw/zinc/24/75/71/606247571.db2.gz FGEZYKQNXPBOAR-UHFFFAOYSA-N -1 3 370.463 3.160 20 0 FGADHM CN(CC1CC1)C(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000821596582 606258749 /nfs/dbraw/zinc/25/87/49/606258749.db2.gz ORGCIZBMTKQBGS-UHFFFAOYSA-N -1 3 365.462 3.500 20 0 FGADHM CN(CC1CC1)C(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000821596582 606258750 /nfs/dbraw/zinc/25/87/50/606258750.db2.gz ORGCIZBMTKQBGS-UHFFFAOYSA-N -1 3 365.462 3.500 20 0 FGADHM CC(C)c1nc2ccc(NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)cc2s1 ZINC000820202496 606263319 /nfs/dbraw/zinc/26/33/19/606263319.db2.gz IPEZOYPJDJDGEP-UHFFFAOYSA-N -1 3 353.411 3.180 20 0 FGADHM CC(C)c1nc2ccc(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)cc2s1 ZINC000820202496 606263322 /nfs/dbraw/zinc/26/33/22/606263322.db2.gz IPEZOYPJDJDGEP-UHFFFAOYSA-N -1 3 353.411 3.180 20 0 FGADHM C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1ccc(Oc2ccccc2)cc1 ZINC000820385100 606266360 /nfs/dbraw/zinc/26/63/60/606266360.db2.gz PDBQHNGHHJGCIL-CYBMUJFWSA-N -1 3 374.404 3.478 20 0 FGADHM C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1ccc(Oc2ccccc2)cc1 ZINC000820385100 606266362 /nfs/dbraw/zinc/26/63/62/606266362.db2.gz PDBQHNGHHJGCIL-CYBMUJFWSA-N -1 3 374.404 3.478 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000823343994 606273374 /nfs/dbraw/zinc/27/33/74/606273374.db2.gz NHJFBGPEMDNUSJ-DTWKUNHWSA-N -1 3 357.311 3.313 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000823343994 606273376 /nfs/dbraw/zinc/27/33/76/606273376.db2.gz NHJFBGPEMDNUSJ-DTWKUNHWSA-N -1 3 357.311 3.313 20 0 FGADHM O=C(Nc1ccc(OC2CCCCC2)cc1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823350395 606276581 /nfs/dbraw/zinc/27/65/81/606276581.db2.gz LLSPRCNFJBSMRJ-UHFFFAOYSA-N -1 3 352.398 3.159 20 0 FGADHM O=C(Nc1ccc(OC2CCCCC2)cc1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823350395 606276583 /nfs/dbraw/zinc/27/65/83/606276583.db2.gz LLSPRCNFJBSMRJ-UHFFFAOYSA-N -1 3 352.398 3.159 20 0 FGADHM CCOc1ccccc1[C@@H](CC(C)C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000821431531 606290111 /nfs/dbraw/zinc/29/01/11/606290111.db2.gz UOTDOMNWIKJPQD-OAHLLOKOSA-N -1 3 368.441 3.111 20 0 FGADHM CCOc1ccccc1[C@@H](CC(C)C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000821431531 606290112 /nfs/dbraw/zinc/29/01/12/606290112.db2.gz UOTDOMNWIKJPQD-OAHLLOKOSA-N -1 3 368.441 3.111 20 0 FGADHM COC(=O)[C@@H](N[C@@H](C)c1ccc(Cl)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000821640291 606296743 /nfs/dbraw/zinc/29/67/43/606296743.db2.gz FMRJDBRGYKBZGD-ZBEGNZNMSA-N -1 3 371.828 3.085 20 0 FGADHM COC(=O)[C@@H](N[C@@H](C)c1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000821640291 606296745 /nfs/dbraw/zinc/29/67/45/606296745.db2.gz FMRJDBRGYKBZGD-ZBEGNZNMSA-N -1 3 371.828 3.085 20 0 FGADHM COC(=O)[C@@H](N[C@H](c1ccccc1)C(C)C)c1cccc(-c2nnn[n-]2)c1 ZINC000821642275 606313773 /nfs/dbraw/zinc/31/37/73/606313773.db2.gz GKEKFAJZWDNHNW-ROUUACIJSA-N -1 3 365.437 3.068 20 0 FGADHM COC(=O)[C@@H](N[C@H](c1ccccc1)C(C)C)c1cccc(-c2nn[n-]n2)c1 ZINC000821642275 606313774 /nfs/dbraw/zinc/31/37/74/606313774.db2.gz GKEKFAJZWDNHNW-ROUUACIJSA-N -1 3 365.437 3.068 20 0 FGADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CCC[C@H]1c1cccc2ccccc21 ZINC000823459721 606317627 /nfs/dbraw/zinc/31/76/27/606317627.db2.gz BPHFSHBDXZZXAI-SFHVURJKSA-N -1 3 358.405 3.325 20 0 FGADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CCC[C@H]1c1cccc2ccccc21 ZINC000823459721 606317629 /nfs/dbraw/zinc/31/76/29/606317629.db2.gz BPHFSHBDXZZXAI-SFHVURJKSA-N -1 3 358.405 3.325 20 0 FGADHM CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2cccc(-c3nnn[n-]3)c2)c1C ZINC000819834196 606326855 /nfs/dbraw/zinc/32/68/55/606326855.db2.gz OAJNVZAAUVRSKX-GFCCVEGCSA-N -1 3 369.450 3.378 20 0 FGADHM CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2cccc(-c3nn[n-]n3)c2)c1C ZINC000819834196 606326857 /nfs/dbraw/zinc/32/68/57/606326857.db2.gz OAJNVZAAUVRSKX-GFCCVEGCSA-N -1 3 369.450 3.378 20 0 FGADHM O=C(CSc1cccc(-c2nnn[n-]2)c1)N1CCSc2ccccc21 ZINC000823070517 606329728 /nfs/dbraw/zinc/32/97/28/606329728.db2.gz BUTBIORCNBSVNV-UHFFFAOYSA-N -1 3 369.475 3.098 20 0 FGADHM O=C(CSc1cccc(-c2nn[n-]n2)c1)N1CCSc2ccccc21 ZINC000823070517 606329729 /nfs/dbraw/zinc/32/97/29/606329729.db2.gz BUTBIORCNBSVNV-UHFFFAOYSA-N -1 3 369.475 3.098 20 0 FGADHM Cc1ccnn1-c1ccc(C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822379208 606339829 /nfs/dbraw/zinc/33/98/29/606339829.db2.gz MESKSDCBGRQEEP-AWEZNQCLSA-N -1 3 374.404 3.279 20 0 FGADHM Cc1ccnn1-c1ccc(C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822379208 606339830 /nfs/dbraw/zinc/33/98/30/606339830.db2.gz MESKSDCBGRQEEP-AWEZNQCLSA-N -1 3 374.404 3.279 20 0 FGADHM C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820643433 606343272 /nfs/dbraw/zinc/34/32/72/606343272.db2.gz WLCFDMZTVRKYSN-DOMZBBRYSA-N -1 3 366.400 3.416 20 0 FGADHM C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820643433 606343275 /nfs/dbraw/zinc/34/32/75/606343275.db2.gz WLCFDMZTVRKYSN-DOMZBBRYSA-N -1 3 366.400 3.416 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NC[C@@H](c1cccnc1)C(C)C ZINC000822220300 606345527 /nfs/dbraw/zinc/34/55/27/606345527.db2.gz LEPXFKNVLWTOQA-MRXNPFEDSA-N -1 3 365.441 3.131 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NC[C@@H](c1cccnc1)C(C)C ZINC000822220300 606345528 /nfs/dbraw/zinc/34/55/28/606345528.db2.gz LEPXFKNVLWTOQA-MRXNPFEDSA-N -1 3 365.441 3.131 20 0 FGADHM CCN(C(=O)Nc1ccc(F)cc1-c1nnn[n-]1)[C@H](C)c1cccnc1 ZINC000821153392 606359040 /nfs/dbraw/zinc/35/90/40/606359040.db2.gz ALMQOTOPWQOAOD-LLVKDONJSA-N -1 3 355.377 3.016 20 0 FGADHM CCN(C(=O)Nc1ccc(F)cc1-c1nn[n-]n1)[C@H](C)c1cccnc1 ZINC000821153392 606359042 /nfs/dbraw/zinc/35/90/42/606359042.db2.gz ALMQOTOPWQOAOD-LLVKDONJSA-N -1 3 355.377 3.016 20 0 FGADHM Cc1ccc(C[C@H](C)N(C)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000822234724 606359726 /nfs/dbraw/zinc/35/97/26/606359726.db2.gz FRDKIDXTFZVPFV-ZDUSSCGKSA-N -1 3 368.416 3.409 20 0 FGADHM Cc1ccc(C[C@H](C)N(C)C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000822234724 606359727 /nfs/dbraw/zinc/35/97/27/606359727.db2.gz FRDKIDXTFZVPFV-ZDUSSCGKSA-N -1 3 368.416 3.409 20 0 FGADHM CC[C@H](CNC(=O)c1cccc(-c2nnn[n-]2)c1)Oc1ccccc1Cl ZINC000820909410 606367556 /nfs/dbraw/zinc/36/75/56/606367556.db2.gz VSEZQFURUUNYKW-CQSZACIVSA-N -1 3 371.828 3.108 20 0 FGADHM CC[C@H](CNC(=O)c1cccc(-c2nn[n-]n2)c1)Oc1ccccc1Cl ZINC000820909410 606367557 /nfs/dbraw/zinc/36/75/57/606367557.db2.gz VSEZQFURUUNYKW-CQSZACIVSA-N -1 3 371.828 3.108 20 0 FGADHM CCCCCn1nc(C)cc1NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000821060387 606367643 /nfs/dbraw/zinc/36/76/43/606367643.db2.gz CWBVQNXWRVUGGM-KHPPLWFESA-N -1 3 365.441 3.214 20 0 FGADHM CCCCCn1nc(C)cc1NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000821060387 606367644 /nfs/dbraw/zinc/36/76/44/606367644.db2.gz CWBVQNXWRVUGGM-KHPPLWFESA-N -1 3 365.441 3.214 20 0 FGADHM Cc1cccc2c(=O)[nH]c(C(Cl)=Cc3ccc(-c4nnn[n-]4)s3)nc12 ZINC000822332288 606389208 /nfs/dbraw/zinc/38/92/08/606389208.db2.gz MTSNQAQISHCUBT-XFFZJAGNSA-N -1 3 370.825 3.210 20 0 FGADHM CC(C)CN1C(=O)c2ccccc2N[C@H]1c1ccc(-c2nnn[n-]2)s1 ZINC000820092049 606393342 /nfs/dbraw/zinc/39/33/42/606393342.db2.gz FWQULOKETMVYAP-MRXNPFEDSA-N -1 3 354.439 3.151 20 0 FGADHM Cc1cc(C(=O)O[C@@H](C)COc2cccc(-c3nnn[n-]3)c2)c(F)cc1F ZINC000822184215 606396894 /nfs/dbraw/zinc/39/68/94/606396894.db2.gz PBBOJIZJYAIYCA-NSHDSACASA-N -1 3 374.347 3.078 20 0 FGADHM Cc1cc(C(=O)O[C@@H](C)COc2cccc(-c3nn[n-]n3)c2)c(F)cc1F ZINC000822184215 606396896 /nfs/dbraw/zinc/39/68/96/606396896.db2.gz PBBOJIZJYAIYCA-NSHDSACASA-N -1 3 374.347 3.078 20 0 FGADHM C[C@H](Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1)C1CCCCC1 ZINC000820457101 606428813 /nfs/dbraw/zinc/42/88/13/606428813.db2.gz XVIWJAMXYCRCSK-AWEZNQCLSA-N -1 3 370.501 3.209 20 0 FGADHM C[C@H](Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1)C1CCCCC1 ZINC000820457101 606428815 /nfs/dbraw/zinc/42/88/15/606428815.db2.gz XVIWJAMXYCRCSK-AWEZNQCLSA-N -1 3 370.501 3.209 20 0 FGADHM C[C@H](Nc1ccc(-c2nnn[n-]2)cn1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000820455142 606430057 /nfs/dbraw/zinc/43/00/57/606430057.db2.gz FCCTWYWTYSVYHG-VIFPVBQESA-N -1 3 368.788 3.138 20 0 FGADHM C[C@H](Nc1ccc(-c2nn[n-]n2)cn1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000820455142 606430059 /nfs/dbraw/zinc/43/00/59/606430059.db2.gz FCCTWYWTYSVYHG-VIFPVBQESA-N -1 3 368.788 3.138 20 0 FGADHM Cc1nccc(-c2cccc(NCc3cc(-c4nnn[n-]4)ccc3F)c2)n1 ZINC000822471394 606446416 /nfs/dbraw/zinc/44/64/16/606446416.db2.gz AMBKXYKYZACBPH-UHFFFAOYSA-N -1 3 361.384 3.383 20 0 FGADHM Cc1nccc(-c2cccc(NCc3cc(-c4nn[n-]n4)ccc3F)c2)n1 ZINC000822471394 606446418 /nfs/dbraw/zinc/44/64/18/606446418.db2.gz AMBKXYKYZACBPH-UHFFFAOYSA-N -1 3 361.384 3.383 20 0 FGADHM CC(C)(C)NC(=O)c1cccc(NCc2cc(-c3nnn[n-]3)ccc2F)c1 ZINC000819922548 606447733 /nfs/dbraw/zinc/44/77/33/606447733.db2.gz LJVSJGBPRVHYDU-UHFFFAOYSA-N -1 3 368.416 3.146 20 0 FGADHM CC(C)(C)NC(=O)c1cccc(NCc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC000819922548 606447735 /nfs/dbraw/zinc/44/77/35/606447735.db2.gz LJVSJGBPRVHYDU-UHFFFAOYSA-N -1 3 368.416 3.146 20 0 FGADHM C[C@@H](Nc1cc(Cl)ccc1-c1nnn[n-]1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000820457314 606455009 /nfs/dbraw/zinc/45/50/09/606455009.db2.gz ZOIZRMAZKKRWQR-MRVPVSSYSA-N -1 3 355.789 3.275 20 0 FGADHM C[C@@H](Nc1cc(Cl)ccc1-c1nn[n-]n1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000820457314 606455010 /nfs/dbraw/zinc/45/50/10/606455010.db2.gz ZOIZRMAZKKRWQR-MRVPVSSYSA-N -1 3 355.789 3.275 20 0 FGADHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(N(C)CCc3ccncc3)c2c1 ZINC000822195501 606462443 /nfs/dbraw/zinc/46/24/43/606462443.db2.gz UCJNCYQFTXIZAD-UHFFFAOYSA-N -1 3 359.437 3.106 20 0 FGADHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(N(C)CCc3ccncc3)c2c1 ZINC000822195501 606462444 /nfs/dbraw/zinc/46/24/44/606462444.db2.gz UCJNCYQFTXIZAD-UHFFFAOYSA-N -1 3 359.437 3.106 20 0 FGADHM O=C(O[C@@H](c1ccccc1)c1ccccn1)c1cc(-c2nnn[n-]2)cs1 ZINC000823392678 606463636 /nfs/dbraw/zinc/46/36/36/606463636.db2.gz RMOSMYWXPBUQNU-INIZCTEOSA-N -1 3 363.402 3.270 20 0 FGADHM O=C(O[C@@H](c1ccccc1)c1ccccn1)c1cc(-c2nn[n-]n2)cs1 ZINC000823392678 606463637 /nfs/dbraw/zinc/46/36/37/606463637.db2.gz RMOSMYWXPBUQNU-INIZCTEOSA-N -1 3 363.402 3.270 20 0 FGADHM Cc1cc(NC(=O)c2cc(-c3nnn[n-]3)cs2)ccc1Br ZINC000822208125 606476833 /nfs/dbraw/zinc/47/68/33/606476833.db2.gz BYQCAZDMHYRTQV-UHFFFAOYSA-N -1 3 364.228 3.251 20 0 FGADHM Cc1cc(NC(=O)c2cc(-c3nn[n-]n3)cs2)ccc1Br ZINC000822208125 606476835 /nfs/dbraw/zinc/47/68/35/606476835.db2.gz BYQCAZDMHYRTQV-UHFFFAOYSA-N -1 3 364.228 3.251 20 0 FGADHM COc1ccc([C@H](NC(=O)c2cc(-c3nnn[n-]3)cs2)C(C)C)cc1 ZINC000821778100 606485305 /nfs/dbraw/zinc/48/53/05/606485305.db2.gz UCJZYZXCKYEVDI-OAHLLOKOSA-N -1 3 357.439 3.064 20 0 FGADHM COc1ccc([C@H](NC(=O)c2cc(-c3nn[n-]n3)cs2)C(C)C)cc1 ZINC000821778100 606485306 /nfs/dbraw/zinc/48/53/06/606485306.db2.gz UCJZYZXCKYEVDI-OAHLLOKOSA-N -1 3 357.439 3.064 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1nc2ccc(Cl)cc2s1 ZINC000823109126 606490046 /nfs/dbraw/zinc/49/00/46/606490046.db2.gz YYNUOTQNIQYCEN-UHFFFAOYSA-N -1 3 370.825 3.311 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1nc2ccc(Cl)cc2s1 ZINC000823109126 606490047 /nfs/dbraw/zinc/49/00/47/606490047.db2.gz YYNUOTQNIQYCEN-UHFFFAOYSA-N -1 3 370.825 3.311 20 0 FGADHM COc1ccc(N(CC(C)C)C(=O)c2cc(-c3nnn[n-]3)cs2)cc1 ZINC000821828554 606492496 /nfs/dbraw/zinc/49/24/96/606492496.db2.gz XQDPBLKAUYWNFH-UHFFFAOYSA-N -1 3 357.439 3.240 20 0 FGADHM COc1ccc(N(CC(C)C)C(=O)c2cc(-c3nn[n-]n3)cs2)cc1 ZINC000821828554 606492499 /nfs/dbraw/zinc/49/24/99/606492499.db2.gz XQDPBLKAUYWNFH-UHFFFAOYSA-N -1 3 357.439 3.240 20 0 FGADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)c1cscc1C ZINC000821699303 606494072 /nfs/dbraw/zinc/49/40/72/606494072.db2.gz KRBTYXDVWYCPRB-UHFFFAOYSA-N -1 3 350.787 3.118 20 0 FGADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)c1cscc1C ZINC000821699303 606494074 /nfs/dbraw/zinc/49/40/74/606494074.db2.gz KRBTYXDVWYCPRB-UHFFFAOYSA-N -1 3 350.787 3.118 20 0 FGADHM CC(C)(C)c1ccc2c(c1)CCN2C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000819958441 606500534 /nfs/dbraw/zinc/50/05/34/606500534.db2.gz LEWACYMHGRPEEA-UHFFFAOYSA-N -1 3 353.451 3.429 20 0 FGADHM CC(C)(C)c1ccc2c(c1)CCN2C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000819958441 606500535 /nfs/dbraw/zinc/50/05/35/606500535.db2.gz LEWACYMHGRPEEA-UHFFFAOYSA-N -1 3 353.451 3.429 20 0 FGADHM COc1ccc(N(C(=O)c2cc(-c3nnn[n-]3)cs2)[C@@H](C)C2CC2)cc1 ZINC000821827464 606500731 /nfs/dbraw/zinc/50/07/31/606500731.db2.gz BRYIMGSWWDQZDF-NSHDSACASA-N -1 3 369.450 3.382 20 0 FGADHM COc1ccc(N(C(=O)c2cc(-c3nn[n-]n3)cs2)[C@@H](C)C2CC2)cc1 ZINC000821827464 606500732 /nfs/dbraw/zinc/50/07/32/606500732.db2.gz BRYIMGSWWDQZDF-NSHDSACASA-N -1 3 369.450 3.382 20 0 FGADHM CCCN(C(=O)Cc1cccc(-c2nnn[n-]2)c1)[C@@H]1CCc2ccccc21 ZINC000821083432 606505276 /nfs/dbraw/zinc/50/52/76/606505276.db2.gz YXTLLFWBWQNKPR-LJQANCHMSA-N -1 3 361.449 3.335 20 0 FGADHM CCCN(C(=O)Cc1cccc(-c2nn[n-]n2)c1)[C@@H]1CCc2ccccc21 ZINC000821083432 606505279 /nfs/dbraw/zinc/50/52/79/606505279.db2.gz YXTLLFWBWQNKPR-LJQANCHMSA-N -1 3 361.449 3.335 20 0 FGADHM CCN(C(=O)Cc1cccc(-c2nnn[n-]2)c1)[C@H](C)c1cccc(OC)c1 ZINC000821154844 606505416 /nfs/dbraw/zinc/50/54/16/606505416.db2.gz SXOQANRPPOHLPU-CQSZACIVSA-N -1 3 365.437 3.028 20 0 FGADHM CCN(C(=O)Cc1cccc(-c2nn[n-]n2)c1)[C@H](C)c1cccc(OC)c1 ZINC000821154844 606505418 /nfs/dbraw/zinc/50/54/18/606505418.db2.gz SXOQANRPPOHLPU-CQSZACIVSA-N -1 3 365.437 3.028 20 0 FGADHM O=C(c1cc(-c2nnn[n-]2)cs1)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000823472174 606511844 /nfs/dbraw/zinc/51/18/44/606511844.db2.gz CCKFQVUZJDAFBD-NSHDSACASA-N -1 3 359.842 3.211 20 0 FGADHM O=C(c1cc(-c2nn[n-]n2)cs1)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000823472174 606511846 /nfs/dbraw/zinc/51/18/46/606511846.db2.gz CCKFQVUZJDAFBD-NSHDSACASA-N -1 3 359.842 3.211 20 0 FGADHM O=C(c1cc(-c2nnn[n-]2)cs1)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000823472173 606512082 /nfs/dbraw/zinc/51/20/82/606512082.db2.gz CCKFQVUZJDAFBD-LLVKDONJSA-N -1 3 359.842 3.211 20 0 FGADHM O=C(c1cc(-c2nn[n-]n2)cs1)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000823472173 606512083 /nfs/dbraw/zinc/51/20/83/606512083.db2.gz CCKFQVUZJDAFBD-LLVKDONJSA-N -1 3 359.842 3.211 20 0 FGADHM O=C(c1cc(-c2nnn[n-]2)cs1)N(Cc1cccs1)CC(F)(F)F ZINC000823466713 606525306 /nfs/dbraw/zinc/52/53/06/606525306.db2.gz OPCFAGJSPXRVNW-UHFFFAOYSA-N -1 3 373.385 3.194 20 0 FGADHM O=C(c1cc(-c2nn[n-]n2)cs1)N(Cc1cccs1)CC(F)(F)F ZINC000823466713 606525308 /nfs/dbraw/zinc/52/53/08/606525308.db2.gz OPCFAGJSPXRVNW-UHFFFAOYSA-N -1 3 373.385 3.194 20 0 FGADHM c1ccc(N(Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)CC2CC2)cc1 ZINC000823788084 606527239 /nfs/dbraw/zinc/52/72/39/606527239.db2.gz UTMOFGKTWGHZNO-UHFFFAOYSA-N -1 3 373.420 3.333 20 0 FGADHM c1ccc(N(Cc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)CC2CC2)cc1 ZINC000823788084 606527241 /nfs/dbraw/zinc/52/72/41/606527241.db2.gz UTMOFGKTWGHZNO-UHFFFAOYSA-N -1 3 373.420 3.333 20 0 FGADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000823074359 606535880 /nfs/dbraw/zinc/53/58/80/606535880.db2.gz PYUHDYOZOMXPRS-GOSISDBHSA-N -1 3 365.412 3.302 20 0 FGADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000823074359 606535881 /nfs/dbraw/zinc/53/58/81/606535881.db2.gz PYUHDYOZOMXPRS-GOSISDBHSA-N -1 3 365.412 3.302 20 0 FGADHM CCOc1ccccc1[C@H](CC)NC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821431288 606543994 /nfs/dbraw/zinc/54/39/94/606543994.db2.gz OMSBOHINBIWRKT-KRWDZBQOSA-N -1 3 365.437 3.075 20 0 FGADHM CCOc1ccccc1[C@H](CC)NC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821431288 606543995 /nfs/dbraw/zinc/54/39/95/606543995.db2.gz OMSBOHINBIWRKT-KRWDZBQOSA-N -1 3 365.437 3.075 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1scnc1-c1ccccc1 ZINC000823109047 606549298 /nfs/dbraw/zinc/54/92/98/606549298.db2.gz WKLBDYOUZORYDN-UHFFFAOYSA-N -1 3 362.418 3.171 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1scnc1-c1ccccc1 ZINC000823109047 606549300 /nfs/dbraw/zinc/54/93/00/606549300.db2.gz WKLBDYOUZORYDN-UHFFFAOYSA-N -1 3 362.418 3.171 20 0 FGADHM O=C(Nc1c(F)cccc1Br)c1ccc(-c2nnn[n-]2)cc1 ZINC000823289866 606551590 /nfs/dbraw/zinc/55/15/90/606551590.db2.gz POZYJVYEYGBWPW-UHFFFAOYSA-N -1 3 362.162 3.021 20 0 FGADHM O=C(Nc1c(F)cccc1Br)c1ccc(-c2nn[n-]n2)cc1 ZINC000823289866 606551591 /nfs/dbraw/zinc/55/15/91/606551591.db2.gz POZYJVYEYGBWPW-UHFFFAOYSA-N -1 3 362.162 3.021 20 0 FGADHM Cc1ccc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2OC(F)F)s1 ZINC000822227310 606557029 /nfs/dbraw/zinc/55/70/29/606557029.db2.gz CYCKRLUWLNRUSD-UHFFFAOYSA-N -1 3 366.349 3.195 20 0 FGADHM Cc1ccc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2OC(F)F)s1 ZINC000822227310 606557030 /nfs/dbraw/zinc/55/70/30/606557030.db2.gz CYCKRLUWLNRUSD-UHFFFAOYSA-N -1 3 366.349 3.195 20 0 FGADHM Cc1cc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2OC(F)F)c(C)o1 ZINC000822182799 606557184 /nfs/dbraw/zinc/55/71/84/606557184.db2.gz AIMZTZOXKDDYGU-UHFFFAOYSA-N -1 3 364.308 3.035 20 0 FGADHM Cc1cc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2OC(F)F)c(C)o1 ZINC000822182799 606557185 /nfs/dbraw/zinc/55/71/85/606557185.db2.gz AIMZTZOXKDDYGU-UHFFFAOYSA-N -1 3 364.308 3.035 20 0 FGADHM Cc1ccc(C)c(OCCCOC(=O)c2cc(-c3nnn[n-]3)cs2)c1 ZINC000822231766 606563191 /nfs/dbraw/zinc/56/31/91/606563191.db2.gz GSTWEWXZROBACH-UHFFFAOYSA-N -1 3 358.423 3.171 20 0 FGADHM Cc1ccc(C)c(OCCCOC(=O)c2cc(-c3nn[n-]n3)cs2)c1 ZINC000822231766 606563192 /nfs/dbraw/zinc/56/31/92/606563192.db2.gz GSTWEWXZROBACH-UHFFFAOYSA-N -1 3 358.423 3.171 20 0 FGADHM Cc1cccc([C@H]2CCCN2C(=O)Cc2cccc(-c3nnn[n-]3)c2)c1C ZINC000822299596 606571679 /nfs/dbraw/zinc/57/16/79/606571679.db2.gz OFYVRTOYRFRXOL-LJQANCHMSA-N -1 3 361.449 3.390 20 0 FGADHM Cc1cccc([C@H]2CCCN2C(=O)Cc2cccc(-c3nn[n-]n3)c2)c1C ZINC000822299596 606571680 /nfs/dbraw/zinc/57/16/80/606571680.db2.gz OFYVRTOYRFRXOL-LJQANCHMSA-N -1 3 361.449 3.390 20 0 FGADHM Cc1cc(NC(=O)Cc2cccc(-c3nnn[n-]3)c2)ccc1OC(C)C ZINC000822208321 606573261 /nfs/dbraw/zinc/57/32/61/606573261.db2.gz MMBPKIJVDKYNEO-UHFFFAOYSA-N -1 3 351.410 3.144 20 0 FGADHM Cc1cc(NC(=O)Cc2cccc(-c3nn[n-]n3)c2)ccc1OC(C)C ZINC000822208321 606573263 /nfs/dbraw/zinc/57/32/63/606573263.db2.gz MMBPKIJVDKYNEO-UHFFFAOYSA-N -1 3 351.410 3.144 20 0 FGADHM CC(C)[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)cs2)c2ccccc2N1 ZINC000820047386 606584844 /nfs/dbraw/zinc/58/48/44/606584844.db2.gz YGTXOXIGHCFXEP-ZDUSSCGKSA-N -1 3 354.439 3.025 20 0 FGADHM CC(C)[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)cs2)c2ccccc2N1 ZINC000820047386 606584845 /nfs/dbraw/zinc/58/48/45/606584845.db2.gz YGTXOXIGHCFXEP-ZDUSSCGKSA-N -1 3 354.439 3.025 20 0 FGADHM CC(C)(C)c1ccc(O)c(NC(=O)Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC000819958855 606589892 /nfs/dbraw/zinc/58/98/92/606589892.db2.gz RNGNTLBLOHAHBY-UHFFFAOYSA-N -1 3 351.410 3.051 20 0 FGADHM CC(C)(C)c1ccc(O)c(NC(=O)Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC000819958855 606589894 /nfs/dbraw/zinc/58/98/94/606589894.db2.gz RNGNTLBLOHAHBY-UHFFFAOYSA-N -1 3 351.410 3.051 20 0 FGADHM O=C(c1ccc(-c2nnn[n-]2)cc1)N1CCC[C@@]2(CCCc3ccccc32)C1 ZINC000823478764 606607333 /nfs/dbraw/zinc/60/73/33/606607333.db2.gz RLICPEUZESJBHL-QFIPXVFZSA-N -1 3 373.460 3.377 20 0 FGADHM O=C(c1ccc(-c2nn[n-]n2)cc1)N1CCC[C@@]2(CCCc3ccccc32)C1 ZINC000823478764 606607335 /nfs/dbraw/zinc/60/73/35/606607335.db2.gz RLICPEUZESJBHL-QFIPXVFZSA-N -1 3 373.460 3.377 20 0 FGADHM O=C(c1ccc(-c2nnn[n-]2)cc1)N1CCC[C@]2(CCCc3ccccc32)C1 ZINC000823478763 606607652 /nfs/dbraw/zinc/60/76/52/606607652.db2.gz RLICPEUZESJBHL-JOCHJYFZSA-N -1 3 373.460 3.377 20 0 FGADHM O=C(c1ccc(-c2nn[n-]n2)cc1)N1CCC[C@]2(CCCc3ccccc32)C1 ZINC000823478763 606607654 /nfs/dbraw/zinc/60/76/54/606607654.db2.gz RLICPEUZESJBHL-JOCHJYFZSA-N -1 3 373.460 3.377 20 0 FGADHM O=C(Nc1ccc(Cl)cn1)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000823331133 606613633 /nfs/dbraw/zinc/61/36/33/606613633.db2.gz AZKCHWFIAGESQW-UHFFFAOYSA-N -1 3 369.816 3.112 20 0 FGADHM O=C(Nc1ccc(Cl)cn1)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000823331133 606613634 /nfs/dbraw/zinc/61/36/34/606613634.db2.gz AZKCHWFIAGESQW-UHFFFAOYSA-N -1 3 369.816 3.112 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCC1(C(C)C)CC1 ZINC000821104794 606614351 /nfs/dbraw/zinc/61/43/51/606614351.db2.gz QZZLSYXHNDGAKU-UHFFFAOYSA-N -1 3 356.474 3.225 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCC1(C(C)C)CC1 ZINC000821104794 606614352 /nfs/dbraw/zinc/61/43/52/606614352.db2.gz QZZLSYXHNDGAKU-UHFFFAOYSA-N -1 3 356.474 3.225 20 0 FGADHM CCCCNC(=O)[C@@H](C)Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821065446 606614566 /nfs/dbraw/zinc/61/45/66/606614566.db2.gz IJXFVYCZSIUFFJ-CQSZACIVSA-N -1 3 365.437 3.217 20 0 FGADHM CCCCNC(=O)[C@@H](C)Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821065446 606614567 /nfs/dbraw/zinc/61/45/67/606614567.db2.gz IJXFVYCZSIUFFJ-CQSZACIVSA-N -1 3 365.437 3.217 20 0 FGADHM CC(C)CC(C)(C)C(=O)OCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000820050452 606614600 /nfs/dbraw/zinc/61/46/00/606614600.db2.gz AGXKRKFXVNNHNX-UHFFFAOYSA-N -1 3 370.413 3.032 20 0 FGADHM CC(C)CC(C)(C)C(=O)OCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000820050452 606614601 /nfs/dbraw/zinc/61/46/01/606614601.db2.gz AGXKRKFXVNNHNX-UHFFFAOYSA-N -1 3 370.413 3.032 20 0 FGADHM CC(C(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1)=C1CCCC1 ZINC000819857219 606620002 /nfs/dbraw/zinc/62/00/02/606620002.db2.gz PDJXDIQYFQKVRJ-UHFFFAOYSA-N -1 3 367.453 3.127 20 0 FGADHM CC(C(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1)=C1CCCC1 ZINC000819857219 606620003 /nfs/dbraw/zinc/62/00/03/606620003.db2.gz PDJXDIQYFQKVRJ-UHFFFAOYSA-N -1 3 367.453 3.127 20 0 FGADHM CC(=CC(=O)NCc1cccc(-c2nnn[n-]2)c1)c1cccc(Cl)c1 ZINC000819763749 606626023 /nfs/dbraw/zinc/62/60/23/606626023.db2.gz CFBHMZNYKBALKD-WQLSENKSSA-N -1 3 353.813 3.240 20 0 FGADHM CC(=CC(=O)NCc1cccc(-c2nn[n-]n2)c1)c1cccc(Cl)c1 ZINC000819763749 606626025 /nfs/dbraw/zinc/62/60/25/606626025.db2.gz CFBHMZNYKBALKD-WQLSENKSSA-N -1 3 353.813 3.240 20 0 FGADHM CC(=CC(=O)NCc1ccc(-c2nnn[n-]2)cc1F)c1cccc(Cl)c1 ZINC000819764181 606631095 /nfs/dbraw/zinc/63/10/95/606631095.db2.gz GVNOAVBNLWGQCC-XFFZJAGNSA-N -1 3 371.803 3.379 20 0 FGADHM CC(=CC(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1cccc(Cl)c1 ZINC000819764181 606631097 /nfs/dbraw/zinc/63/10/97/606631097.db2.gz GVNOAVBNLWGQCC-XFFZJAGNSA-N -1 3 371.803 3.379 20 0 FGADHM O[C@H]1CCCC[C@@H]1Oc1ccc(NCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000823705108 606657812 /nfs/dbraw/zinc/65/78/12/606657812.db2.gz FOEKWZWEWYTBMT-OALUTQOASA-N -1 3 365.437 3.161 20 0 FGADHM O[C@H]1CCCC[C@@H]1Oc1ccc(NCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000823705108 606657813 /nfs/dbraw/zinc/65/78/13/606657813.db2.gz FOEKWZWEWYTBMT-OALUTQOASA-N -1 3 365.437 3.161 20 0 FGADHM CC[C@H](CNC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000820908962 606663614 /nfs/dbraw/zinc/66/36/14/606663614.db2.gz SIKWRFKSAPHWMT-LLVKDONJSA-N -1 3 357.364 3.069 20 0 FGADHM CC[C@H](CNC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000820908962 606663615 /nfs/dbraw/zinc/66/36/15/606663615.db2.gz SIKWRFKSAPHWMT-LLVKDONJSA-N -1 3 357.364 3.069 20 0 FGADHM CC(C)C[C@@H](C)OCCC(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000820055261 606665060 /nfs/dbraw/zinc/66/50/60/606665060.db2.gz HEVKMFYYMDEEFT-LLVKDONJSA-N -1 3 351.838 3.300 20 0 FGADHM CC(C)C[C@@H](C)OCCC(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000820055261 606665061 /nfs/dbraw/zinc/66/50/61/606665061.db2.gz HEVKMFYYMDEEFT-LLVKDONJSA-N -1 3 351.838 3.300 20 0 FGADHM COc1cc(C)c(C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)cc1OC ZINC000821708735 606665406 /nfs/dbraw/zinc/66/54/06/606665406.db2.gz YDKVABFSMDXTKO-UHFFFAOYSA-N -1 3 373.800 3.098 20 0 FGADHM COc1cc(C)c(C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)cc1OC ZINC000821708735 606665407 /nfs/dbraw/zinc/66/54/07/606665407.db2.gz YDKVABFSMDXTKO-UHFFFAOYSA-N -1 3 373.800 3.098 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@H]1C[C@H]1Cc1ccccc1 ZINC000821389317 606666225 /nfs/dbraw/zinc/66/62/25/606666225.db2.gz IWKJZZBPBZRYMF-CVEARBPZSA-N -1 3 364.405 3.050 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@H]1C[C@H]1Cc1ccccc1 ZINC000821389317 606666226 /nfs/dbraw/zinc/66/62/26/606666226.db2.gz IWKJZZBPBZRYMF-CVEARBPZSA-N -1 3 364.405 3.050 20 0 FGADHM Cc1ccc([C@H](C)NC(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1F ZINC000822228800 606666517 /nfs/dbraw/zinc/66/65/17/606666517.db2.gz FVUCGTLIMGVHPQ-OLZOCXBDSA-N -1 3 368.416 3.436 20 0 FGADHM Cc1ccc([C@H](C)NC(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000822228800 606666518 /nfs/dbraw/zinc/66/65/18/606666518.db2.gz FVUCGTLIMGVHPQ-OLZOCXBDSA-N -1 3 368.416 3.436 20 0 FGADHM Cc1nc(CC(C)C)c(C(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000822437058 606667075 /nfs/dbraw/zinc/66/70/75/606667075.db2.gz VFDMVXDNOQUTDN-LLVKDONJSA-N -1 3 370.482 3.321 20 0 FGADHM Cc1nc(CC(C)C)c(C(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000822437058 606667076 /nfs/dbraw/zinc/66/70/76/606667076.db2.gz VFDMVXDNOQUTDN-LLVKDONJSA-N -1 3 370.482 3.321 20 0 FGADHM CCN(C(=O)Cc1ccc(F)c(F)c1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821154409 606670507 /nfs/dbraw/zinc/67/05/07/606670507.db2.gz NHLNODDMHCUYES-GFCCVEGCSA-N -1 3 371.391 3.297 20 0 FGADHM CCN(C(=O)Cc1ccc(F)c(F)c1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821154409 606670508 /nfs/dbraw/zinc/67/05/08/606670508.db2.gz NHLNODDMHCUYES-GFCCVEGCSA-N -1 3 371.391 3.297 20 0 FGADHM CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820685746 606671841 /nfs/dbraw/zinc/67/18/41/606671841.db2.gz VBRPNJWNRKLWLG-HCKVZZMMSA-N -1 3 363.412 3.336 20 0 FGADHM CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820685746 606671842 /nfs/dbraw/zinc/67/18/42/606671842.db2.gz VBRPNJWNRKLWLG-HCKVZZMMSA-N -1 3 363.412 3.336 20 0 FGADHM C[C@]1(C(=O)Nc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)CCCO1 ZINC000820577092 606674210 /nfs/dbraw/zinc/67/42/10/606674210.db2.gz JSCMIFSYYKACCH-LJQANCHMSA-N -1 3 365.393 3.167 20 0 FGADHM C[C@]1(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)CCCO1 ZINC000820577092 606674211 /nfs/dbraw/zinc/67/42/11/606674211.db2.gz JSCMIFSYYKACCH-LJQANCHMSA-N -1 3 365.393 3.167 20 0 FGADHM O=C(Oc1ccc(OCC2CC2)cc1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823454278 606675705 /nfs/dbraw/zinc/67/57/05/606675705.db2.gz MHFPDWOCIDMJFM-UHFFFAOYSA-N -1 3 372.331 3.153 20 0 FGADHM O=C(Oc1ccc(OCC2CC2)cc1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823454278 606675706 /nfs/dbraw/zinc/67/57/06/606675706.db2.gz MHFPDWOCIDMJFM-UHFFFAOYSA-N -1 3 372.331 3.153 20 0 FGADHM CC(C)(CCc1ccccc1)NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000819981103 606676589 /nfs/dbraw/zinc/67/65/89/606676589.db2.gz MRHQQUYISBWCPF-UHFFFAOYSA-N -1 3 371.391 3.286 20 0 FGADHM CC(C)(CCc1ccccc1)NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000819981103 606676590 /nfs/dbraw/zinc/67/65/90/606676590.db2.gz MRHQQUYISBWCPF-UHFFFAOYSA-N -1 3 371.391 3.286 20 0 FGADHM O=C(N[C@@H](c1ccccc1)C1CCC1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823139602 606677919 /nfs/dbraw/zinc/67/79/19/606677919.db2.gz IEZSGWFKTWONNR-KRWDZBQOSA-N -1 3 369.375 3.416 20 0 FGADHM O=C(N[C@@H](c1ccccc1)C1CCC1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823139602 606677920 /nfs/dbraw/zinc/67/79/20/606677920.db2.gz IEZSGWFKTWONNR-KRWDZBQOSA-N -1 3 369.375 3.416 20 0 FGADHM C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820664766 606679798 /nfs/dbraw/zinc/67/97/98/606679798.db2.gz BTTVMTLFLRLCIC-BXUZGUMPSA-N -1 3 369.375 3.163 20 0 FGADHM C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820664766 606679799 /nfs/dbraw/zinc/67/97/99/606679799.db2.gz BTTVMTLFLRLCIC-BXUZGUMPSA-N -1 3 369.375 3.163 20 0 FGADHM COc1cc(C)c(C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1OC ZINC000821707719 606685096 /nfs/dbraw/zinc/68/50/96/606685096.db2.gz COLRMGRXMJDXCR-LBPRGKRZSA-N -1 3 368.393 3.110 20 0 FGADHM COc1cc(C)c(C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1OC ZINC000821707719 606685097 /nfs/dbraw/zinc/68/50/97/606685097.db2.gz COLRMGRXMJDXCR-LBPRGKRZSA-N -1 3 368.393 3.110 20 0 FGADHM COc1cc(C)c(C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1OC ZINC000821707718 606685203 /nfs/dbraw/zinc/68/52/03/606685203.db2.gz COLRMGRXMJDXCR-GFCCVEGCSA-N -1 3 368.393 3.110 20 0 FGADHM COc1cc(C)c(C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1OC ZINC000821707718 606685204 /nfs/dbraw/zinc/68/52/04/606685204.db2.gz COLRMGRXMJDXCR-GFCCVEGCSA-N -1 3 368.393 3.110 20 0 FGADHM C[C@]1(c2ccccc2)CCN(C(=O)C=Cc2ccccc2-c2nnn[n-]2)C1 ZINC000820637116 606690796 /nfs/dbraw/zinc/69/07/96/606690796.db2.gz WWNBREDVJYEMOP-VIOKTNGOSA-N -1 3 359.433 3.070 20 0 FGADHM C[C@]1(c2ccccc2)CCN(C(=O)C=Cc2ccccc2-c2nn[n-]n2)C1 ZINC000820637116 606690797 /nfs/dbraw/zinc/69/07/97/606690797.db2.gz WWNBREDVJYEMOP-VIOKTNGOSA-N -1 3 359.433 3.070 20 0 FGADHM Cc1ccc([C@H](C)NC(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1F ZINC000822229343 606693008 /nfs/dbraw/zinc/69/30/08/606693008.db2.gz RZHJKEMJECBPET-LXKVQUBZSA-N -1 3 351.385 3.205 20 0 FGADHM Cc1ccc([C@H](C)NC(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1F ZINC000822229343 606693009 /nfs/dbraw/zinc/69/30/09/606693009.db2.gz RZHJKEMJECBPET-LXKVQUBZSA-N -1 3 351.385 3.205 20 0 FGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)Nc1cccc2ccncc21 ZINC000823066402 606693136 /nfs/dbraw/zinc/69/31/36/606693136.db2.gz XVDRGYXSUBTGNF-UHFFFAOYSA-N -1 3 362.418 3.146 20 0 FGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)Nc1cccc2ccncc21 ZINC000823066402 606693137 /nfs/dbraw/zinc/69/31/37/606693137.db2.gz XVDRGYXSUBTGNF-UHFFFAOYSA-N -1 3 362.418 3.146 20 0 FGADHM O=C1[C@H](Sc2ccccc2-c2nnn[n-]2)CCN1c1c(F)cccc1F ZINC000823511976 606706631 /nfs/dbraw/zinc/70/66/31/606706631.db2.gz JUHJEWWIWSHVTR-CQSZACIVSA-N -1 3 373.388 3.043 20 0 FGADHM O=C1[C@H](Sc2ccccc2-c2nn[n-]n2)CCN1c1c(F)cccc1F ZINC000823511976 606706633 /nfs/dbraw/zinc/70/66/33/606706633.db2.gz JUHJEWWIWSHVTR-CQSZACIVSA-N -1 3 373.388 3.043 20 0 FGADHM CCOCCC1(CNc2nc3c(cc2-c2nnn[n-]2)CCC3)CCCC1 ZINC000821374634 606720949 /nfs/dbraw/zinc/72/09/49/606720949.db2.gz YSNQTPJSIAZSHT-UHFFFAOYSA-N -1 3 356.474 3.149 20 0 FGADHM CCOCCC1(CNc2nc3c(cc2-c2nn[n-]n2)CCC3)CCCC1 ZINC000821374634 606720950 /nfs/dbraw/zinc/72/09/50/606720950.db2.gz YSNQTPJSIAZSHT-UHFFFAOYSA-N -1 3 356.474 3.149 20 0 FGADHM C[C@@H](Nc1cccc(F)c1-c1nnn[n-]1)c1noc(-c2ccccc2)n1 ZINC000820461400 606725580 /nfs/dbraw/zinc/72/55/80/606725580.db2.gz JJLBCPIZGXSJIM-SNVBAGLBSA-N -1 3 351.345 3.229 20 0 FGADHM C[C@@H](Nc1cccc(F)c1-c1nn[n-]n1)c1noc(-c2ccccc2)n1 ZINC000820461400 606725582 /nfs/dbraw/zinc/72/55/82/606725582.db2.gz JJLBCPIZGXSJIM-SNVBAGLBSA-N -1 3 351.345 3.229 20 0 FGADHM CCC(CC)(CC)C(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000820882006 606730805 /nfs/dbraw/zinc/73/08/05/606730805.db2.gz HMIFTOYIWVIAGU-UHFFFAOYSA-N -1 3 371.485 3.453 20 0 FGADHM CCC(CC)(CC)C(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000820882006 606730807 /nfs/dbraw/zinc/73/08/07/606730807.db2.gz HMIFTOYIWVIAGU-UHFFFAOYSA-N -1 3 371.485 3.453 20 0 FGADHM C[C@@H](NC(=O)[C@H](C)OC1CCCCCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820519375 606734350 /nfs/dbraw/zinc/73/43/50/606734350.db2.gz SXGVNLAZGMLUPU-KGLIPLIRSA-N -1 3 357.458 3.172 20 0 FGADHM C[C@@H](NC(=O)[C@H](C)OC1CCCCCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820519375 606734353 /nfs/dbraw/zinc/73/43/53/606734353.db2.gz SXGVNLAZGMLUPU-KGLIPLIRSA-N -1 3 357.458 3.172 20 0 FGADHM CC(C)c1cccc(COC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)n1 ZINC000820197505 606737241 /nfs/dbraw/zinc/73/72/41/606737241.db2.gz KKZGBQGDHBMNKW-UHFFFAOYSA-N -1 3 359.336 3.020 20 0 FGADHM CC(C)c1cccc(COC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)n1 ZINC000820197505 606737242 /nfs/dbraw/zinc/73/72/42/606737242.db2.gz KKZGBQGDHBMNKW-UHFFFAOYSA-N -1 3 359.336 3.020 20 0 FGADHM O=C(OCCOC1CCCCCC1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823405377 606757969 /nfs/dbraw/zinc/75/79/69/606757969.db2.gz PACUPCXEGQKMMT-UHFFFAOYSA-N -1 3 366.368 3.041 20 0 FGADHM O=C(OCCOC1CCCCCC1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823405377 606757970 /nfs/dbraw/zinc/75/79/70/606757970.db2.gz PACUPCXEGQKMMT-UHFFFAOYSA-N -1 3 366.368 3.041 20 0 FGADHM C[C@@H](OC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1ccc(F)c(F)c1 ZINC000820502741 606757996 /nfs/dbraw/zinc/75/79/96/606757996.db2.gz VGMHXHOPFXKFRZ-SSDOTTSWSA-N -1 3 366.274 3.341 20 0 FGADHM C[C@@H](OC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccc(F)c(F)c1 ZINC000820502741 606757997 /nfs/dbraw/zinc/75/79/97/606757997.db2.gz VGMHXHOPFXKFRZ-SSDOTTSWSA-N -1 3 366.274 3.341 20 0 FGADHM O=C(c1cc(F)cc(Cl)c1)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000823472714 606781221 /nfs/dbraw/zinc/78/12/21/606781221.db2.gz WIYWZHPWBAJDBI-UHFFFAOYSA-N -1 3 371.803 3.464 20 0 FGADHM O=C(c1cc(F)cc(Cl)c1)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000823472714 606781222 /nfs/dbraw/zinc/78/12/22/606781222.db2.gz WIYWZHPWBAJDBI-UHFFFAOYSA-N -1 3 371.803 3.464 20 0 FGADHM COC(=O)c1cc(CSc2ccc(-c3nnn[n-]3)cc2F)c(C)s1 ZINC000821668086 606794850 /nfs/dbraw/zinc/79/48/50/606794850.db2.gz NUEJGHUFLKJYMM-UHFFFAOYSA-N -1 3 364.427 3.455 20 0 FGADHM COC(=O)c1cc(CSc2ccc(-c3nn[n-]n3)cc2F)c(C)s1 ZINC000821668086 606794852 /nfs/dbraw/zinc/79/48/52/606794852.db2.gz NUEJGHUFLKJYMM-UHFFFAOYSA-N -1 3 364.427 3.455 20 0 FGADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1OC(F)F)C(F)=C1CCCC1 ZINC000823421896 606797207 /nfs/dbraw/zinc/79/72/07/606797207.db2.gz JQRCOMXCRJHIDA-UHFFFAOYSA-N -1 3 368.315 3.309 20 0 FGADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1OC(F)F)C(F)=C1CCCC1 ZINC000823421896 606797209 /nfs/dbraw/zinc/79/72/09/606797209.db2.gz JQRCOMXCRJHIDA-UHFFFAOYSA-N -1 3 368.315 3.309 20 0 FGADHM Cc1ccc(CC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000822235061 606802810 /nfs/dbraw/zinc/80/28/10/606802810.db2.gz QHIYYMJWRFTJBP-GFCCVEGCSA-N -1 3 355.829 3.248 20 0 FGADHM Cc1ccc(CC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000822235061 606802812 /nfs/dbraw/zinc/80/28/12/606802812.db2.gz QHIYYMJWRFTJBP-GFCCVEGCSA-N -1 3 355.829 3.248 20 0 FGADHM Cc1ccc(Cl)c(NC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)c1 ZINC000822239960 606807724 /nfs/dbraw/zinc/80/77/24/606807724.db2.gz MKHKIZXLYOWSRK-UHFFFAOYSA-N -1 3 360.780 3.289 20 0 FGADHM Cc1ccc(Cl)c(NC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC000822239960 606807725 /nfs/dbraw/zinc/80/77/25/606807725.db2.gz MKHKIZXLYOWSRK-UHFFFAOYSA-N -1 3 360.780 3.289 20 0 FGADHM Cc1ccc(Cl)c(NC(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)c1 ZINC000822239940 606809363 /nfs/dbraw/zinc/80/93/63/606809363.db2.gz LHUCFPXJSCCYJU-NSHDSACASA-N -1 3 357.801 3.235 20 0 FGADHM Cc1ccc(Cl)c(NC(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)c1 ZINC000822239940 606809364 /nfs/dbraw/zinc/80/93/64/606809364.db2.gz LHUCFPXJSCCYJU-NSHDSACASA-N -1 3 357.801 3.235 20 0 FGADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)N1CCc2c1cccc2Cl ZINC000822978157 606817080 /nfs/dbraw/zinc/81/70/80/606817080.db2.gz DKUCDAMTWGRORT-UHFFFAOYSA-N -1 3 353.813 3.042 20 0 FGADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)N1CCc2c1cccc2Cl ZINC000822978157 606817082 /nfs/dbraw/zinc/81/70/82/606817082.db2.gz DKUCDAMTWGRORT-UHFFFAOYSA-N -1 3 353.813 3.042 20 0 FGADHM Cc1sc(NC(=O)c2ccc(F)c(F)c2F)c(-c2nnn[n-]2)c1C ZINC000822563742 606842908 /nfs/dbraw/zinc/84/29/08/606842908.db2.gz MUPUZNBVJNEHEX-UHFFFAOYSA-N -1 3 353.329 3.215 20 0 FGADHM Cc1sc(NC(=O)c2ccc(F)c(F)c2F)c(-c2nn[n-]n2)c1C ZINC000822563742 606842909 /nfs/dbraw/zinc/84/29/09/606842909.db2.gz MUPUZNBVJNEHEX-UHFFFAOYSA-N -1 3 353.329 3.215 20 0 FGADHM Fc1cc(Cl)cc(NCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)c1 ZINC000822748430 606866159 /nfs/dbraw/zinc/86/61/59/606866159.db2.gz YLYJCNURQWGQJP-UHFFFAOYSA-N -1 3 371.763 3.321 20 0 FGADHM Fc1cc(Cl)cc(NCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)c1 ZINC000822748430 606866161 /nfs/dbraw/zinc/86/61/61/606866161.db2.gz YLYJCNURQWGQJP-UHFFFAOYSA-N -1 3 371.763 3.321 20 0 FGADHM COc1cc(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)ccc1F ZINC000821702968 606872281 /nfs/dbraw/zinc/87/22/81/606872281.db2.gz JEOANWZKCYIDBV-UHFFFAOYSA-N -1 3 369.400 3.065 20 0 FGADHM COc1cc(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)ccc1F ZINC000821702968 606872283 /nfs/dbraw/zinc/87/22/83/606872283.db2.gz JEOANWZKCYIDBV-UHFFFAOYSA-N -1 3 369.400 3.065 20 0 FGADHM CCC[C@H]1CCCN(C(=O)CSCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000821041006 606872728 /nfs/dbraw/zinc/87/27/28/606872728.db2.gz XDPXSDCYUGWSGC-AWEZNQCLSA-N -1 3 359.499 3.139 20 0 FGADHM CCC[C@H]1CCCN(C(=O)CSCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821041006 606872730 /nfs/dbraw/zinc/87/27/30/606872730.db2.gz XDPXSDCYUGWSGC-AWEZNQCLSA-N -1 3 359.499 3.139 20 0 FGADHM O=C(CCSc1ccc(F)c(F)c1)Nc1ccccc1-c1nnn[n-]1 ZINC000822974245 606872960 /nfs/dbraw/zinc/87/29/60/606872960.db2.gz CWHOLPHBXHUHLI-UHFFFAOYSA-N -1 3 361.377 3.266 20 0 FGADHM O=C(CCSc1ccc(F)c(F)c1)Nc1ccccc1-c1nn[n-]n1 ZINC000822974245 606872961 /nfs/dbraw/zinc/87/29/61/606872961.db2.gz CWHOLPHBXHUHLI-UHFFFAOYSA-N -1 3 361.377 3.266 20 0 FGADHM O=C(N[C@@H]1CC2(CCC2)Oc2ccccc21)c1sccc1-c1nnn[n-]1 ZINC000823146250 606879921 /nfs/dbraw/zinc/87/99/21/606879921.db2.gz WGNPMJREJFSAGJ-CYBMUJFWSA-N -1 3 367.434 3.105 20 0 FGADHM O=C(N[C@@H]1CC2(CCC2)Oc2ccccc21)c1sccc1-c1nn[n-]n1 ZINC000823146250 606879923 /nfs/dbraw/zinc/87/99/23/606879923.db2.gz WGNPMJREJFSAGJ-CYBMUJFWSA-N -1 3 367.434 3.105 20 0 FGADHM CCc1nnc(N[C@H](C)c2ccc(F)c(F)c2)c(-c2nnn[n-]2)c1CC ZINC000821529564 606917504 /nfs/dbraw/zinc/91/75/04/606917504.db2.gz XBVOGAFHQIMFEU-SECBINFHSA-N -1 3 359.384 3.233 20 0 FGADHM CCc1nnc(N[C@H](C)c2ccc(F)c(F)c2)c(-c2nn[n-]n2)c1CC ZINC000821529564 606917505 /nfs/dbraw/zinc/91/75/05/606917505.db2.gz XBVOGAFHQIMFEU-SECBINFHSA-N -1 3 359.384 3.233 20 0 FGADHM CC(C)N(C[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)cc1 ZINC000820117118 606922234 /nfs/dbraw/zinc/92/22/34/606922234.db2.gz VVTYBKMNHJUOAS-QGZVFWFLSA-N -1 3 357.845 3.469 20 0 FGADHM CC(C)N(C[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)cc1 ZINC000820117118 606922236 /nfs/dbraw/zinc/92/22/36/606922236.db2.gz VVTYBKMNHJUOAS-QGZVFWFLSA-N -1 3 357.845 3.469 20 0 FGADHM C[C@@H]1Sc2ccccc2N(C[C@H](O)c2ccc(-c3nnn[n-]3)cc2)[C@H]1C ZINC000820819765 606929798 /nfs/dbraw/zinc/92/97/98/606929798.db2.gz KNUIBILTPWQWIL-DCGLDWPTSA-N -1 3 367.478 3.289 20 0 FGADHM C[C@@H]1Sc2ccccc2N(C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)[C@H]1C ZINC000820819765 606929799 /nfs/dbraw/zinc/92/97/99/606929799.db2.gz KNUIBILTPWQWIL-DCGLDWPTSA-N -1 3 367.478 3.289 20 0 FGADHM CCc1nc2c(s1)[C@@H](N(C)C(=O)c1sccc1-c1nnn[n-]1)CCC2 ZINC000821510369 606938465 /nfs/dbraw/zinc/93/84/65/606938465.db2.gz ZSSZUHNTYBGEKE-NSHDSACASA-N -1 3 374.495 3.097 20 0 FGADHM CCc1nc2c(s1)[C@@H](N(C)C(=O)c1sccc1-c1nn[n-]n1)CCC2 ZINC000821510369 606938466 /nfs/dbraw/zinc/93/84/66/606938466.db2.gz ZSSZUHNTYBGEKE-NSHDSACASA-N -1 3 374.495 3.097 20 0 FGADHM CCc1nnc(NC[C@H](c2cccnc2)C(C)C)c(-c2nnn[n-]2)c1CC ZINC000821535355 606943526 /nfs/dbraw/zinc/94/35/26/606943526.db2.gz IELCDUPLCPKSBV-HNNXBMFYSA-N -1 3 366.473 3.028 20 0 FGADHM CCc1nnc(NC[C@H](c2cccnc2)C(C)C)c(-c2nn[n-]n2)c1CC ZINC000821535355 606943527 /nfs/dbraw/zinc/94/35/27/606943527.db2.gz IELCDUPLCPKSBV-HNNXBMFYSA-N -1 3 366.473 3.028 20 0 FGADHM CC(C)COc1ccc([C@H](C)NC(=O)c2cc(-c3nnn[n-]3)cs2)cc1 ZINC000820103184 606956978 /nfs/dbraw/zinc/95/69/78/606956978.db2.gz OWHTYTXJKCUUFB-LBPRGKRZSA-N -1 3 371.466 3.454 20 0 FGADHM CC(C)COc1ccc([C@H](C)NC(=O)c2cc(-c3nn[n-]n3)cs2)cc1 ZINC000820103184 606956980 /nfs/dbraw/zinc/95/69/80/606956980.db2.gz OWHTYTXJKCUUFB-LBPRGKRZSA-N -1 3 371.466 3.454 20 0 FGADHM Fc1ccc(CN[C@@H](c2ccccc2)c2ccccn2)cc1-c1nnn[n-]1 ZINC000822771698 606960292 /nfs/dbraw/zinc/96/02/92/606960292.db2.gz KBPFTOYGLDQOAT-IBGZPJMESA-N -1 3 360.396 3.280 20 0 FGADHM Fc1ccc(CN[C@@H](c2ccccc2)c2ccccn2)cc1-c1nn[n-]n1 ZINC000822771698 606960294 /nfs/dbraw/zinc/96/02/94/606960294.db2.gz KBPFTOYGLDQOAT-IBGZPJMESA-N -1 3 360.396 3.280 20 0 FGADHM Cc1csc([C@@H]2CCCCN2Cc2ccc(F)c(-c3nnn[n-]3)c2)n1 ZINC000822409177 606968172 /nfs/dbraw/zinc/96/81/72/606968172.db2.gz OQUARNXMYDBAPN-HNNXBMFYSA-N -1 3 358.446 3.498 20 0 FGADHM Cc1csc([C@@H]2CCCCN2Cc2ccc(F)c(-c3nn[n-]n3)c2)n1 ZINC000822409177 606968173 /nfs/dbraw/zinc/96/81/73/606968173.db2.gz OQUARNXMYDBAPN-HNNXBMFYSA-N -1 3 358.446 3.498 20 0 FGADHM CN(C(=O)CCc1ncc(-c2ccccc2)o1)c1ccccc1-c1nnn[n-]1 ZINC000821570581 606969243 /nfs/dbraw/zinc/96/92/43/606969243.db2.gz BJVKNNBFTGQUAX-UHFFFAOYSA-N -1 3 374.404 3.117 20 0 FGADHM CN(C(=O)CCc1ncc(-c2ccccc2)o1)c1ccccc1-c1nn[n-]n1 ZINC000821570581 606969244 /nfs/dbraw/zinc/96/92/44/606969244.db2.gz BJVKNNBFTGQUAX-UHFFFAOYSA-N -1 3 374.404 3.117 20 0 FGADHM FC(F)C1CCN(C(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000822729244 606981248 /nfs/dbraw/zinc/98/12/48/606981248.db2.gz XNLUAWWPAHGQFB-UHFFFAOYSA-N -1 3 372.832 3.194 20 0 FGADHM FC(F)C1CCN(C(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000822729244 606981249 /nfs/dbraw/zinc/98/12/49/606981249.db2.gz XNLUAWWPAHGQFB-UHFFFAOYSA-N -1 3 372.832 3.194 20 0 FGADHM CCC[C@H](NC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1F ZINC000821020657 606981675 /nfs/dbraw/zinc/98/16/75/606981675.db2.gz GGJRATAIBMGXFW-INIZCTEOSA-N -1 3 357.364 3.416 20 0 FGADHM CCC[C@H](NC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1F ZINC000821020657 606981677 /nfs/dbraw/zinc/98/16/77/606981677.db2.gz GGJRATAIBMGXFW-INIZCTEOSA-N -1 3 357.364 3.416 20 0 FGADHM CCC(=O)c1ccc(OCCOc2ccc(-c3nn[n-]n3)cc2)c(F)c1 ZINC000820843388 606982250 /nfs/dbraw/zinc/98/22/50/606982250.db2.gz XIOWRJGIUMXAIF-UHFFFAOYSA-N -1 3 356.357 3.056 20 0 FGADHM CCCc1nc(C)c(C(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)s1 ZINC000821143758 606995004 /nfs/dbraw/zinc/99/50/04/606995004.db2.gz XISKXXXLUDUFNB-UHFFFAOYSA-N -1 3 361.402 3.080 20 0 FGADHM CCCc1nc(C)c(C(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)s1 ZINC000821143758 606995006 /nfs/dbraw/zinc/99/50/06/606995006.db2.gz XISKXXXLUDUFNB-UHFFFAOYSA-N -1 3 361.402 3.080 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000823421650 606996153 /nfs/dbraw/zinc/99/61/53/606996153.db2.gz FNRRSGGOOPJUGM-WDEREUQCSA-N -1 3 372.322 3.418 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000823421650 606996155 /nfs/dbraw/zinc/99/61/55/606996155.db2.gz FNRRSGGOOPJUGM-WDEREUQCSA-N -1 3 372.322 3.418 20 0 FGADHM Fc1ccc(CSc2ccc3c(c2)OCCCO3)cc1-c1nnn[n-]1 ZINC000822775192 607005684 /nfs/dbraw/zinc/00/56/84/607005684.db2.gz TUVYCPNYJRLVFH-UHFFFAOYSA-N -1 3 358.398 3.459 20 0 FGADHM Fc1ccc(CSc2ccc3c(c2)OCCCO3)cc1-c1nn[n-]n1 ZINC000822775192 607005686 /nfs/dbraw/zinc/00/56/86/607005686.db2.gz TUVYCPNYJRLVFH-UHFFFAOYSA-N -1 3 358.398 3.459 20 0 FGADHM Cc1ccc(N2CC[C@@H](Sc3cccc(-c4nnn[n-]4)c3)C2=O)cc1 ZINC000822241246 607015500 /nfs/dbraw/zinc/01/55/00/607015500.db2.gz PGJTVMHLHHVTFT-MRXNPFEDSA-N -1 3 351.435 3.073 20 0 FGADHM Cc1ccc(N2CC[C@@H](Sc3cccc(-c4nn[n-]n4)c3)C2=O)cc1 ZINC000822241246 607015501 /nfs/dbraw/zinc/01/55/01/607015501.db2.gz PGJTVMHLHHVTFT-MRXNPFEDSA-N -1 3 351.435 3.073 20 0 FGADHM O=C(CSc1cccc(-c2nnn[n-]2)c1)c1cccc(OC(F)F)c1 ZINC000823070508 607017309 /nfs/dbraw/zinc/01/73/09/607017309.db2.gz BIHHVLXVABHWHE-UHFFFAOYSA-N -1 3 362.361 3.443 20 0 FGADHM O=C(CSc1cccc(-c2nn[n-]n2)c1)c1cccc(OC(F)F)c1 ZINC000823070508 607017310 /nfs/dbraw/zinc/01/73/10/607017310.db2.gz BIHHVLXVABHWHE-UHFFFAOYSA-N -1 3 362.361 3.443 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1OCC(=O)Nc1ccc2ccccc2c1 ZINC000822221109 607029153 /nfs/dbraw/zinc/02/91/53/607029153.db2.gz AFXJBNYNHWXFBM-UHFFFAOYSA-N -1 3 359.389 3.346 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1OCC(=O)Nc1ccc2ccccc2c1 ZINC000822221109 607029154 /nfs/dbraw/zinc/02/91/54/607029154.db2.gz AFXJBNYNHWXFBM-UHFFFAOYSA-N -1 3 359.389 3.346 20 0 FGADHM Cc1ccc(NC(=O)COc2cc(-c3nnn[n-]3)ccc2C)c(Cl)c1 ZINC000822249010 607029952 /nfs/dbraw/zinc/02/99/52/607029952.db2.gz YCQQXCOTASLSNA-UHFFFAOYSA-N -1 3 357.801 3.154 20 0 FGADHM Cc1ccc(NC(=O)COc2cc(-c3nn[n-]n3)ccc2C)c(Cl)c1 ZINC000822249010 607029955 /nfs/dbraw/zinc/02/99/55/607029955.db2.gz YCQQXCOTASLSNA-UHFFFAOYSA-N -1 3 357.801 3.154 20 0 FGADHM Fc1ccc(-c2nnn[n-]2)c(CSc2nnc(-c3ccccc3)o2)c1 ZINC000822757932 607038819 /nfs/dbraw/zinc/03/88/19/607038819.db2.gz HNTFHURRZJVCEF-UHFFFAOYSA-N -1 3 354.370 3.348 20 0 FGADHM Fc1ccc(-c2nn[n-]n2)c(CSc2nnc(-c3ccccc3)o2)c1 ZINC000822757932 607038820 /nfs/dbraw/zinc/03/88/20/607038820.db2.gz HNTFHURRZJVCEF-UHFFFAOYSA-N -1 3 354.370 3.348 20 0 FGADHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H]1C[C@@H]1C1CCCCC1 ZINC000819997409 607044154 /nfs/dbraw/zinc/04/41/54/607044154.db2.gz VBELDGKVTJKUKX-SJORKVTESA-N -1 3 369.469 3.109 20 0 FGADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H]1C[C@@H]1C1CCCCC1 ZINC000819997409 607044155 /nfs/dbraw/zinc/04/41/55/607044155.db2.gz VBELDGKVTJKUKX-SJORKVTESA-N -1 3 369.469 3.109 20 0 FGADHM C[C@H](Nc1ccc(-c2nnn[n-]2)cn1)c1ccc(OCC2CC2)c(F)c1 ZINC000820455711 607045240 /nfs/dbraw/zinc/04/52/40/607045240.db2.gz MHQKLOVRNNKELX-NSHDSACASA-N -1 3 354.389 3.363 20 0 FGADHM C[C@H](Nc1ccc(-c2nn[n-]n2)cn1)c1ccc(OCC2CC2)c(F)c1 ZINC000820455711 607045243 /nfs/dbraw/zinc/04/52/43/607045243.db2.gz MHQKLOVRNNKELX-NSHDSACASA-N -1 3 354.389 3.363 20 0 FGADHM Cc1cccc([C@@H]2CCCN2C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)n1 ZINC000822299276 607068882 /nfs/dbraw/zinc/06/88/82/607068882.db2.gz DBXOOFVRLFCZNN-INIZCTEOSA-N -1 3 367.388 3.078 20 0 FGADHM Cc1cccc([C@@H]2CCCN2C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)n1 ZINC000822299276 607068883 /nfs/dbraw/zinc/06/88/83/607068883.db2.gz DBXOOFVRLFCZNN-INIZCTEOSA-N -1 3 367.388 3.078 20 0 FGADHM Cc1ccc(OCCC(=O)OCc2cc(F)ccc2-c2nnn[n-]2)cc1C ZINC000822263346 607077253 /nfs/dbraw/zinc/07/72/53/607077253.db2.gz NPOVILVUHYYPCY-UHFFFAOYSA-N -1 3 370.384 3.135 20 0 FGADHM Cc1ccc(OCCC(=O)OCc2cc(F)ccc2-c2nn[n-]n2)cc1C ZINC000822263346 607077255 /nfs/dbraw/zinc/07/72/55/607077255.db2.gz NPOVILVUHYYPCY-UHFFFAOYSA-N -1 3 370.384 3.135 20 0 FGADHM C[C@@H](OC(=O)c1ccnn1C1CCCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820519887 607082991 /nfs/dbraw/zinc/08/29/91/607082991.db2.gz XEPWRJDHWGSDEG-GFCCVEGCSA-N -1 3 352.398 3.096 20 0 FGADHM C[C@@H](OC(=O)c1ccnn1C1CCCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820519887 607082992 /nfs/dbraw/zinc/08/29/92/607082992.db2.gz XEPWRJDHWGSDEG-GFCCVEGCSA-N -1 3 352.398 3.096 20 0 FGADHM C[C@H]1CN(Cc2cc(-c3nnn[n-]3)ccc2F)C[C@@H](c2ccsc2)O1 ZINC000820759569 607122748 /nfs/dbraw/zinc/12/27/48/607122748.db2.gz LSTQRMWDQBXWMW-ZBEGNZNMSA-N -1 3 359.430 3.029 20 0 FGADHM C[C@H]1CN(Cc2cc(-c3nn[n-]n3)ccc2F)C[C@@H](c2ccsc2)O1 ZINC000820759569 607122750 /nfs/dbraw/zinc/12/27/50/607122750.db2.gz LSTQRMWDQBXWMW-ZBEGNZNMSA-N -1 3 359.430 3.029 20 0 FGADHM Cc1oc(NC(=O)CN2CCC(CCC(C)C)CC2)c(-c2nnn[n-]2)c1C ZINC000822547666 607124181 /nfs/dbraw/zinc/12/41/81/607124181.db2.gz ASXWTRKVRZLNNM-UHFFFAOYSA-N -1 3 374.489 3.163 20 0 FGADHM Cc1oc(NC(=O)CN2CCC(CCC(C)C)CC2)c(-c2nn[n-]n2)c1C ZINC000822547666 607124183 /nfs/dbraw/zinc/12/41/83/607124183.db2.gz ASXWTRKVRZLNNM-UHFFFAOYSA-N -1 3 374.489 3.163 20 0 FGADHM CCS[C@H](C)c1noc(CNc2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000821448198 607125762 /nfs/dbraw/zinc/12/57/62/607125762.db2.gz MFVWPPZIJFIADW-MRVPVSSYSA-N -1 3 365.850 3.329 20 0 FGADHM CC(C)(C)c1ccccc1NC(=O)COc1ccc(-c2nnn[n-]2)cc1F ZINC000819957576 607137098 /nfs/dbraw/zinc/13/70/98/607137098.db2.gz BLLQYAUBVDEYKQ-UHFFFAOYSA-N -1 3 369.400 3.321 20 0 FGADHM CC(C)(C)c1ccccc1NC(=O)COc1ccc(-c2nn[n-]n2)cc1F ZINC000819957576 607137100 /nfs/dbraw/zinc/13/71/00/607137100.db2.gz BLLQYAUBVDEYKQ-UHFFFAOYSA-N -1 3 369.400 3.321 20 0 FGADHM CCc1c(C)sc(NC(=O)c2ccnc(OC(C)C)c2)c1-c1nnn[n-]1 ZINC000821465954 607144315 /nfs/dbraw/zinc/14/43/15/607144315.db2.gz RWYPXPCKDBTUEL-UHFFFAOYSA-N -1 3 372.454 3.234 20 0 FGADHM CCc1c(C)sc(NC(=O)c2ccnc(OC(C)C)c2)c1-c1nn[n-]n1 ZINC000821465954 607144317 /nfs/dbraw/zinc/14/43/17/607144317.db2.gz RWYPXPCKDBTUEL-UHFFFAOYSA-N -1 3 372.454 3.234 20 0 FGADHM CCC(CC)(CC)C(=O)N(CCOC)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000820881930 607153253 /nfs/dbraw/zinc/15/32/53/607153253.db2.gz FTSBURGHGAHDRN-UHFFFAOYSA-N -1 3 359.474 3.058 20 0 FGADHM CCC(CC)(CC)C(=O)N(CCOC)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000820881930 607153255 /nfs/dbraw/zinc/15/32/55/607153255.db2.gz FTSBURGHGAHDRN-UHFFFAOYSA-N -1 3 359.474 3.058 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1oc(CC)cc1C ZINC000821123131 607156343 /nfs/dbraw/zinc/15/63/43/607156343.db2.gz KOUVFHPSFPJDKM-UHFFFAOYSA-N -1 3 354.414 3.405 20 0 FGADHM CCC(=O)c1ccc(C(=O)Nc2sc(CC)cc2-c2nnn[n-]2)cc1 ZINC000820843228 607156701 /nfs/dbraw/zinc/15/67/01/607156701.db2.gz VTURVIZTNFXTHW-UHFFFAOYSA-N -1 3 355.423 3.336 20 0 FGADHM CCC(=O)c1ccc(C(=O)Nc2sc(CC)cc2-c2nn[n-]n2)cc1 ZINC000820843228 607156703 /nfs/dbraw/zinc/15/67/03/607156703.db2.gz VTURVIZTNFXTHW-UHFFFAOYSA-N -1 3 355.423 3.336 20 0 FGADHM C[C@H](OC1CCCCCC1)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000820520152 607156786 /nfs/dbraw/zinc/15/67/86/607156786.db2.gz ZVIAJTXDMRFJGN-ZDUSSCGKSA-N -1 3 374.489 3.490 20 0 FGADHM C[C@H](OC1CCCCCC1)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000820520152 607156788 /nfs/dbraw/zinc/15/67/88/607156788.db2.gz ZVIAJTXDMRFJGN-ZDUSSCGKSA-N -1 3 374.489 3.490 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N1CCC[C@@H]1CCC1CCCC1 ZINC000823087110 607163248 /nfs/dbraw/zinc/16/32/48/607163248.db2.gz GWADRFVYIOHSIV-GOSISDBHSA-N -1 3 353.470 3.371 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N1CCC[C@@H]1CCC1CCCC1 ZINC000823087110 607163250 /nfs/dbraw/zinc/16/32/50/607163250.db2.gz GWADRFVYIOHSIV-GOSISDBHSA-N -1 3 353.470 3.371 20 0 FGADHM Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000822328400 607190139 /nfs/dbraw/zinc/19/01/39/607190139.db2.gz OZXMLCXDBJOMGV-NSHDSACASA-N -1 3 357.801 3.235 20 0 FGADHM Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000822328400 607190140 /nfs/dbraw/zinc/19/01/40/607190140.db2.gz OZXMLCXDBJOMGV-NSHDSACASA-N -1 3 357.801 3.235 20 0 FGADHM COc1cccc([C@H]2C[C@H]2C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000821864302 607190605 /nfs/dbraw/zinc/19/06/05/607190605.db2.gz WDADGEGSLOHMHN-ZIAGYGMSSA-N -1 3 369.812 3.271 20 0 FGADHM COc1cccc([C@H]2C[C@H]2C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000821864302 607190606 /nfs/dbraw/zinc/19/06/06/607190606.db2.gz WDADGEGSLOHMHN-ZIAGYGMSSA-N -1 3 369.812 3.271 20 0 FGADHM CCc1ccccc1OCC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821496539 607191693 /nfs/dbraw/zinc/19/16/93/607191693.db2.gz HTXNUJKBCBCPGN-UHFFFAOYSA-N -1 3 357.801 3.100 20 0 FGADHM CCc1ccccc1OCC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821496539 607191694 /nfs/dbraw/zinc/19/16/94/607191694.db2.gz HTXNUJKBCBCPGN-UHFFFAOYSA-N -1 3 357.801 3.100 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N[C@H]1C[C@H]1Cc1ccccc1 ZINC000823319295 607195126 /nfs/dbraw/zinc/19/51/26/607195126.db2.gz RRRWRZJRTVUDFN-CJNGLKHVSA-N -1 3 368.828 3.273 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N[C@H]1C[C@H]1Cc1ccccc1 ZINC000823319295 607195127 /nfs/dbraw/zinc/19/51/27/607195127.db2.gz RRRWRZJRTVUDFN-CJNGLKHVSA-N -1 3 368.828 3.273 20 0 FGADHM CC(=O)Nc1cccc(NC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000819827623 607197784 /nfs/dbraw/zinc/19/77/84/607197784.db2.gz SXXSVOYJVIWGRG-UHFFFAOYSA-N -1 3 371.788 3.123 20 0 FGADHM CC(=O)Nc1cccc(NC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000819827623 607197785 /nfs/dbraw/zinc/19/77/85/607197785.db2.gz SXXSVOYJVIWGRG-UHFFFAOYSA-N -1 3 371.788 3.123 20 0 FGADHM COc1ccc(CNC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)c(C)c1 ZINC000821798961 607203775 /nfs/dbraw/zinc/20/37/75/607203775.db2.gz VQJXNOHZKIKYPF-UHFFFAOYSA-N -1 3 372.816 3.159 20 0 FGADHM COc1ccc(CNC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)c(C)c1 ZINC000821798961 607203776 /nfs/dbraw/zinc/20/37/76/607203776.db2.gz VQJXNOHZKIKYPF-UHFFFAOYSA-N -1 3 372.816 3.159 20 0 FGADHM CC(C)[C@H](CNC(=O)c1ncc(-c2nnn[n-]2)cc1Cl)c1ccccc1 ZINC000820020809 607232634 /nfs/dbraw/zinc/23/26/34/607232634.db2.gz KIUVGCZLTFUVCZ-AWEZNQCLSA-N -1 3 370.844 3.085 20 0 FGADHM CC(C)[C@H](CNC(=O)c1ncc(-c2nn[n-]n2)cc1Cl)c1ccccc1 ZINC000820020809 607232635 /nfs/dbraw/zinc/23/26/35/607232635.db2.gz KIUVGCZLTFUVCZ-AWEZNQCLSA-N -1 3 370.844 3.085 20 0 FGADHM CCCOc1ccc(NC(=O)c2ncc(-c3nnn[n-]3)cc2Cl)c(C)c1 ZINC000821134566 607233427 /nfs/dbraw/zinc/23/34/27/607233427.db2.gz YWJSWKOXYJFYEI-UHFFFAOYSA-N -1 3 372.816 3.265 20 0 FGADHM CCCOc1ccc(NC(=O)c2ncc(-c3nn[n-]n3)cc2Cl)c(C)c1 ZINC000821134566 607233428 /nfs/dbraw/zinc/23/34/28/607233428.db2.gz YWJSWKOXYJFYEI-UHFFFAOYSA-N -1 3 372.816 3.265 20 0 FGADHM CC1CCC(N(C)C(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000820690298 607236428 /nfs/dbraw/zinc/23/64/28/607236428.db2.gz JETQSDGUISHEBF-UHFFFAOYSA-N -1 3 357.458 3.061 20 0 FGADHM CC1CCC(N(C)C(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000820690298 607236429 /nfs/dbraw/zinc/23/64/29/607236429.db2.gz JETQSDGUISHEBF-UHFFFAOYSA-N -1 3 357.458 3.061 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1cc(F)c(F)c(F)c1F ZINC000823319094 607242634 /nfs/dbraw/zinc/24/26/34/607242634.db2.gz QRKHXFTYTVNZEM-UHFFFAOYSA-N -1 3 371.681 3.329 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1cc(F)c(F)c(F)c1F ZINC000823319094 607242635 /nfs/dbraw/zinc/24/26/35/607242635.db2.gz QRKHXFTYTVNZEM-UHFFFAOYSA-N -1 3 371.681 3.329 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1cccc2cccnc21 ZINC000823319075 607243355 /nfs/dbraw/zinc/24/33/55/607243355.db2.gz QFQPNHPSWGEFJT-UHFFFAOYSA-N -1 3 350.769 3.321 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1cccc2cccnc21 ZINC000823319075 607243356 /nfs/dbraw/zinc/24/33/56/607243356.db2.gz QFQPNHPSWGEFJT-UHFFFAOYSA-N -1 3 350.769 3.321 20 0 FGADHM CC(C)c1cccc(OCC(=O)Oc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000820197175 607244083 /nfs/dbraw/zinc/24/40/83/607244083.db2.gz HAFZTRSNAXHIAJ-UHFFFAOYSA-N -1 3 356.357 3.114 20 0 FGADHM CC(C)c1cccc(OCC(=O)Oc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000820197175 607244084 /nfs/dbraw/zinc/24/40/84/607244084.db2.gz HAFZTRSNAXHIAJ-UHFFFAOYSA-N -1 3 356.357 3.114 20 0 FGADHM O=C(CCCc1ccc(F)c(F)c1)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000822959118 607244646 /nfs/dbraw/zinc/24/46/46/607244646.db2.gz SIEXNGVHMWWJSV-UHFFFAOYSA-N -1 3 362.311 3.212 20 0 FGADHM O=C(CCCc1ccc(F)c(F)c1)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000822959118 607244647 /nfs/dbraw/zinc/24/46/47/607244647.db2.gz SIEXNGVHMWWJSV-UHFFFAOYSA-N -1 3 362.311 3.212 20 0 FGADHM CCc1cccc(CC(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)c1 ZINC000825722425 607786207 /nfs/dbraw/zinc/78/62/07/607786207.db2.gz FTGSGSSKNBISJN-UHFFFAOYSA-N -1 3 355.829 3.288 20 0 FGADHM CCc1cccc(CC(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)c1 ZINC000825722425 607786208 /nfs/dbraw/zinc/78/62/08/607786208.db2.gz FTGSGSSKNBISJN-UHFFFAOYSA-N -1 3 355.829 3.288 20 0 FGADHM CN(C(=O)c1ccc(OC2CCCC2)cc1)c1ccccc1-c1nnn[n-]1 ZINC000825829231 607790860 /nfs/dbraw/zinc/79/08/60/607790860.db2.gz ALGSEKGRZWZYMA-UHFFFAOYSA-N -1 3 363.421 3.465 20 0 FGADHM CN(C(=O)c1ccc(OC2CCCC2)cc1)c1ccccc1-c1nn[n-]n1 ZINC000825829231 607790861 /nfs/dbraw/zinc/79/08/61/607790861.db2.gz ALGSEKGRZWZYMA-UHFFFAOYSA-N -1 3 363.421 3.465 20 0 FGADHM Cc1c(C(=O)N(C)c2ccccc2-c2nnn[n-]2)sc2nccc(C)c12 ZINC000826314622 607791056 /nfs/dbraw/zinc/79/10/56/607791056.db2.gz GAHOYDWHXFBDDA-UHFFFAOYSA-N -1 3 364.434 3.370 20 0 FGADHM Cc1c(C(=O)N(C)c2ccccc2-c2nn[n-]n2)sc2nccc(C)c12 ZINC000826314622 607791057 /nfs/dbraw/zinc/79/10/57/607791057.db2.gz GAHOYDWHXFBDDA-UHFFFAOYSA-N -1 3 364.434 3.370 20 0 FGADHM Cc1ccc(Cl)cc1C(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826289388 607794996 /nfs/dbraw/zinc/79/49/96/607794996.db2.gz YBIALONKCHFPFU-UHFFFAOYSA-N -1 3 353.813 3.248 20 0 FGADHM Cc1ccc(Cl)cc1C(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826289388 607794997 /nfs/dbraw/zinc/79/49/97/607794997.db2.gz YBIALONKCHFPFU-UHFFFAOYSA-N -1 3 353.813 3.248 20 0 FGADHM COCCN(C(=O)CC1(C)CCCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826157017 607796083 /nfs/dbraw/zinc/79/60/83/607796083.db2.gz DZNIITCNOHNXGE-UHFFFAOYSA-N -1 3 357.458 3.207 20 0 FGADHM COCCN(C(=O)CC1(C)CCCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826157017 607796084 /nfs/dbraw/zinc/79/60/84/607796084.db2.gz DZNIITCNOHNXGE-UHFFFAOYSA-N -1 3 357.458 3.207 20 0 FGADHM CCN(C(=O)[C@H]1CCSc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000825366711 607796174 /nfs/dbraw/zinc/79/61/74/607796174.db2.gz FGVVMJBYSQHYPH-INIZCTEOSA-N -1 3 365.462 3.499 20 0 FGADHM CCN(C(=O)[C@H]1CCSc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000825366711 607796175 /nfs/dbraw/zinc/79/61/75/607796175.db2.gz FGVVMJBYSQHYPH-INIZCTEOSA-N -1 3 365.462 3.499 20 0 FGADHM CCN(C(=O)[C@H]1C[C@@H]1c1sccc1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367547 607797192 /nfs/dbraw/zinc/79/71/92/607797192.db2.gz SKJOPIZQTAFZKZ-GJZGRUSLSA-N -1 3 353.451 3.393 20 0 FGADHM CCN(C(=O)[C@H]1C[C@@H]1c1sccc1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367547 607797193 /nfs/dbraw/zinc/79/71/93/607797193.db2.gz SKJOPIZQTAFZKZ-GJZGRUSLSA-N -1 3 353.451 3.393 20 0 FGADHM CCN(C(=O)COc1ccc(Cl)cc1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825372433 607797418 /nfs/dbraw/zinc/79/74/18/607797418.db2.gz YHZKDEIUEWPKFF-UHFFFAOYSA-N -1 3 371.828 3.260 20 0 FGADHM CCN(C(=O)COc1ccc(Cl)cc1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825372433 607797419 /nfs/dbraw/zinc/79/74/19/607797419.db2.gz YHZKDEIUEWPKFF-UHFFFAOYSA-N -1 3 371.828 3.260 20 0 FGADHM C[C@@H]1CSc2ccccc2N(C(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000825012322 607830517 /nfs/dbraw/zinc/83/05/17/607830517.db2.gz HCFALVYWPBZLNR-LBPRGKRZSA-N -1 3 351.435 3.255 20 0 FGADHM C[C@@H]1CSc2ccccc2N(C(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000825012322 607830518 /nfs/dbraw/zinc/83/05/18/607830518.db2.gz HCFALVYWPBZLNR-LBPRGKRZSA-N -1 3 351.435 3.255 20 0 FGADHM COCC[C@H](C)OC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826154373 607837033 /nfs/dbraw/zinc/83/70/33/607837033.db2.gz OBYBUUNDSJJSHF-ZDUSSCGKSA-N -1 3 367.409 3.192 20 0 FGADHM COCC[C@@H](C)OC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826154372 607837059 /nfs/dbraw/zinc/83/70/59/607837059.db2.gz OBYBUUNDSJJSHF-CYBMUJFWSA-N -1 3 367.409 3.192 20 0 FGADHM Cc1cccc(CN(Cc2ccccn2)c2ccc(-c3nnn[n-]3)cn2)c1 ZINC000826298370 607849577 /nfs/dbraw/zinc/84/95/77/607849577.db2.gz PPIAKVCLRAEHHY-UHFFFAOYSA-N -1 3 357.421 3.172 20 0 FGADHM Cc1cccc(CN(Cc2ccccn2)c2ccc(-c3nn[n-]n3)cn2)c1 ZINC000826298370 607849578 /nfs/dbraw/zinc/84/95/78/607849578.db2.gz PPIAKVCLRAEHHY-UHFFFAOYSA-N -1 3 357.421 3.172 20 0 FGADHM C/C=C/c1ccc(OC[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)c(OC)c1 ZINC000825029435 607870815 /nfs/dbraw/zinc/87/08/15/607870815.db2.gz SIUIBCLUHOKENN-QDLOVBKTSA-N -1 3 352.394 3.021 20 0 FGADHM C/C=C/c1ccc(OC[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)c(OC)c1 ZINC000825029435 607870816 /nfs/dbraw/zinc/87/08/16/607870816.db2.gz SIUIBCLUHOKENN-QDLOVBKTSA-N -1 3 352.394 3.021 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC[C@H](O)c1ccc(C)cc1 ZINC000825608908 607872394 /nfs/dbraw/zinc/87/23/94/607872394.db2.gz FJDILFAJABKOGO-HNNXBMFYSA-N -1 3 374.828 3.340 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC[C@H](O)c1ccc(C)cc1 ZINC000825608908 607872395 /nfs/dbraw/zinc/87/23/95/607872395.db2.gz FJDILFAJABKOGO-HNNXBMFYSA-N -1 3 374.828 3.340 20 0 FGADHM C[C@H](Cc1cccc(Cl)c1)C(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000824458255 607881081 /nfs/dbraw/zinc/88/10/81/607881081.db2.gz USFYYQLHUVLWSW-CYBMUJFWSA-N -1 3 369.856 3.357 20 0 FGADHM C[C@H](Cc1cccc(Cl)c1)C(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000824458255 607881082 /nfs/dbraw/zinc/88/10/82/607881082.db2.gz USFYYQLHUVLWSW-CYBMUJFWSA-N -1 3 369.856 3.357 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H](C)Cc1cccc(Cl)c1 ZINC000826185938 607889519 /nfs/dbraw/zinc/88/95/19/607889519.db2.gz YGIRPZYNUFJFJB-NSHDSACASA-N -1 3 371.828 3.346 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H](C)Cc1cccc(Cl)c1 ZINC000826185938 607889520 /nfs/dbraw/zinc/88/95/20/607889520.db2.gz YGIRPZYNUFJFJB-NSHDSACASA-N -1 3 371.828 3.346 20 0 FGADHM Fc1ccc(N2CCC[C@@H]2Cn2cnc3ccccc32)c(-c2nnn[n-]2)c1 ZINC000826375223 607905574 /nfs/dbraw/zinc/90/55/74/607905574.db2.gz DLPHSMJIRQZGES-CQSZACIVSA-N -1 3 363.400 3.025 20 0 FGADHM Fc1ccc(N2CCC[C@@H]2Cn2cnc3ccccc32)c(-c2nn[n-]n2)c1 ZINC000826375223 607905575 /nfs/dbraw/zinc/90/55/75/607905575.db2.gz DLPHSMJIRQZGES-CQSZACIVSA-N -1 3 363.400 3.025 20 0 FGADHM C[C@H](OC(=O)c1csc([C@@H]2CCCO2)n1)c1cccc(-c2nnn[n-]2)c1 ZINC000824729669 607923148 /nfs/dbraw/zinc/92/31/48/607923148.db2.gz LNRGCSFMEZMLAN-HZMBPMFUSA-N -1 3 371.422 3.093 20 0 FGADHM C[C@H](OC(=O)c1csc([C@@H]2CCCO2)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000824729669 607923149 /nfs/dbraw/zinc/92/31/49/607923149.db2.gz LNRGCSFMEZMLAN-HZMBPMFUSA-N -1 3 371.422 3.093 20 0 FGADHM CC[C@H](Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)c1c(C)noc1C ZINC000825146627 607936489 /nfs/dbraw/zinc/93/64/89/607936489.db2.gz DVNMRQBFTFWUEP-JTQLQIEISA-N -1 3 367.335 3.449 20 0 FGADHM CC[C@H](Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)c1c(C)noc1C ZINC000825146627 607936490 /nfs/dbraw/zinc/93/64/90/607936490.db2.gz DVNMRQBFTFWUEP-JTQLQIEISA-N -1 3 367.335 3.449 20 0 FGADHM c1ccc(N2Cc3cccc(NCc4ccccc4-c4nnn[n-]4)c3C2)nc1 ZINC000826521879 607939469 /nfs/dbraw/zinc/93/94/69/607939469.db2.gz BXJKDZBHJMNXSV-UHFFFAOYSA-N -1 3 369.432 3.394 20 0 FGADHM c1ccc(N2Cc3cccc(NCc4ccccc4-c4nn[n-]n4)c3C2)nc1 ZINC000826521879 607939470 /nfs/dbraw/zinc/93/94/70/607939470.db2.gz BXJKDZBHJMNXSV-UHFFFAOYSA-N -1 3 369.432 3.394 20 0 FGADHM Cc1c(NC(=O)C(F)(F)c2c(F)cccc2F)cccc1-c1nnn[n-]1 ZINC000826241210 607942341 /nfs/dbraw/zinc/94/23/41/607942341.db2.gz VMRARWNANFMGHZ-UHFFFAOYSA-N -1 3 365.290 3.184 20 0 FGADHM Cc1c(NC(=O)C(F)(F)c2c(F)cccc2F)cccc1-c1nn[n-]n1 ZINC000826241210 607942342 /nfs/dbraw/zinc/94/23/42/607942342.db2.gz VMRARWNANFMGHZ-UHFFFAOYSA-N -1 3 365.290 3.184 20 0 FGADHM Cc1ccc(CCCC(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)s1 ZINC000826287154 607952594 /nfs/dbraw/zinc/95/25/94/607952594.db2.gz FHOXVRMXOSJVEA-UHFFFAOYSA-N -1 3 353.451 3.149 20 0 FGADHM Cc1ccc(CCCC(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)s1 ZINC000826287154 607952595 /nfs/dbraw/zinc/95/25/95/607952595.db2.gz FHOXVRMXOSJVEA-UHFFFAOYSA-N -1 3 353.451 3.149 20 0 FGADHM Cc1ccc(CCC(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)cc1Cl ZINC000826287367 607954074 /nfs/dbraw/zinc/95/40/74/607954074.db2.gz MDTFQLITAFCKOA-UHFFFAOYSA-N -1 3 367.840 3.350 20 0 FGADHM Cc1ccc(CCC(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)cc1Cl ZINC000826287367 607954075 /nfs/dbraw/zinc/95/40/75/607954075.db2.gz MDTFQLITAFCKOA-UHFFFAOYSA-N -1 3 367.840 3.350 20 0 FGADHM O=C(CCSc1ccccc1F)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000826408211 607959766 /nfs/dbraw/zinc/95/97/66/607959766.db2.gz VHIGBYXAJPSVAU-UHFFFAOYSA-N -1 3 358.398 3.231 20 0 FGADHM O=C(CCSc1ccccc1F)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000826408211 607959767 /nfs/dbraw/zinc/95/97/67/607959767.db2.gz VHIGBYXAJPSVAU-UHFFFAOYSA-N -1 3 358.398 3.231 20 0 FGADHM COc1ccc(C[C@@H](C)C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)cc1 ZINC000826191201 607967442 /nfs/dbraw/zinc/96/74/42/607967442.db2.gz ZVMXVUFPRVMQLX-LLVKDONJSA-N -1 3 371.828 3.346 20 0 FGADHM COc1ccc(C[C@@H](C)C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)cc1 ZINC000826191201 607967443 /nfs/dbraw/zinc/96/74/43/607967443.db2.gz ZVMXVUFPRVMQLX-LLVKDONJSA-N -1 3 371.828 3.346 20 0 FGADHM CCOC(=O)Nc1ccc(OCc2ccc(OC)c(-c3nnn[n-]3)c2)cc1 ZINC000825553175 607972417 /nfs/dbraw/zinc/97/24/17/607972417.db2.gz LAHLYWMEDBRSPJ-UHFFFAOYSA-N -1 3 369.381 3.023 20 0 FGADHM CCOC(=O)Nc1ccc(OCc2ccc(OC)c(-c3nn[n-]n3)c2)cc1 ZINC000825553175 607972418 /nfs/dbraw/zinc/97/24/18/607972418.db2.gz LAHLYWMEDBRSPJ-UHFFFAOYSA-N -1 3 369.381 3.023 20 0 FGADHM CCCn1c2ccc(-c3nnn[n-]3)cc2nc1-c1cnn(-c2ccccc2)c1 ZINC000825353333 607974866 /nfs/dbraw/zinc/97/48/66/607974866.db2.gz VSSMYBCYDVUCSC-UHFFFAOYSA-N -1 3 370.420 3.479 20 0 FGADHM CCCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1cnn(-c2ccccc2)c1 ZINC000825353333 607974867 /nfs/dbraw/zinc/97/48/67/607974867.db2.gz VSSMYBCYDVUCSC-UHFFFAOYSA-N -1 3 370.420 3.479 20 0 FGADHM Cc1ccc(-c2ncco2)cc1NC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000826273447 607976663 /nfs/dbraw/zinc/97/66/63/607976663.db2.gz FCWIQDCLDYOECX-UHFFFAOYSA-N -1 3 361.365 3.474 20 0 FGADHM Cc1ccc(-c2ncco2)cc1NC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000826273447 607976664 /nfs/dbraw/zinc/97/66/64/607976664.db2.gz FCWIQDCLDYOECX-UHFFFAOYSA-N -1 3 361.365 3.474 20 0 FGADHM C[C@@H](NC(=O)c1cnc2ccc(F)cc2c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824520916 607986406 /nfs/dbraw/zinc/98/64/06/607986406.db2.gz FXEGKGKCFHOZIY-LLVKDONJSA-N -1 3 362.368 3.045 20 0 FGADHM C[C@@H](NC(=O)c1cnc2ccc(F)cc2c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824520916 607986407 /nfs/dbraw/zinc/98/64/07/607986407.db2.gz FXEGKGKCFHOZIY-LLVKDONJSA-N -1 3 362.368 3.045 20 0 FGADHM ClC1(Cl)C[C@@H]1CNc1ccc(-c2nn[n-]n2)cc1Br ZINC000826350052 608047387 /nfs/dbraw/zinc/04/73/87/608047387.db2.gz GHSWRHYHIOYSPY-SSDOTTSWSA-N -1 3 363.046 3.235 20 0 FGADHM Brc1cc(-c2nn[n-]n2)ccc1NCCNc1ccccc1 ZINC000823826089 608049667 /nfs/dbraw/zinc/04/96/67/608049667.db2.gz CBPWUAUBWPQTJZ-UHFFFAOYSA-N -1 3 359.231 3.153 20 0 FGADHM C[C@]1(CNc2ccc(-c3nn[n-]n3)cc2Br)CCCS1 ZINC000824830811 608051153 /nfs/dbraw/zinc/05/11/53/608051153.db2.gz LTOXIELZGHKMPM-CYBMUJFWSA-N -1 3 354.277 3.327 20 0 FGADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)OCCCSCc1ccccc1 ZINC000826422069 608057470 /nfs/dbraw/zinc/05/74/70/608057470.db2.gz LNVLHDVNDURASM-UHFFFAOYSA-N -1 3 368.462 3.276 20 0 FGADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)OCCCSCc1ccccc1 ZINC000826422069 608057471 /nfs/dbraw/zinc/05/74/71/608057471.db2.gz LNVLHDVNDURASM-UHFFFAOYSA-N -1 3 368.462 3.276 20 0 FGADHM O=C(OCCCSCc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826463815 608057675 /nfs/dbraw/zinc/05/76/75/608057675.db2.gz VWDNAOILTZVYEY-UHFFFAOYSA-N -1 3 354.435 3.347 20 0 FGADHM O=C(OCCCSCc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826463815 608057676 /nfs/dbraw/zinc/05/76/76/608057676.db2.gz VWDNAOILTZVYEY-UHFFFAOYSA-N -1 3 354.435 3.347 20 0 FGADHM CCC(CC)[C@@H](C)C(=O)OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000825097439 608059570 /nfs/dbraw/zinc/05/95/70/608059570.db2.gz WTXBMUVFUBPDOY-LLVKDONJSA-N -1 3 370.413 3.032 20 0 FGADHM CCC(CC)[C@@H](C)C(=O)OCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000825097439 608059571 /nfs/dbraw/zinc/05/95/71/608059571.db2.gz WTXBMUVFUBPDOY-LLVKDONJSA-N -1 3 370.413 3.032 20 0 FGADHM C[C@@H](NC(=O)N(CC(F)F)CC1CCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824491565 608062121 /nfs/dbraw/zinc/06/21/21/608062121.db2.gz UYPTVIXDTKGCED-LLVKDONJSA-N -1 3 364.400 3.005 20 0 FGADHM C[C@@H](NC(=O)N(CC(F)F)CC1CCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824491565 608062122 /nfs/dbraw/zinc/06/21/22/608062122.db2.gz UYPTVIXDTKGCED-LLVKDONJSA-N -1 3 364.400 3.005 20 0 FGADHM CCC(CC)[C@H](C)C(=O)Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000825097240 608063662 /nfs/dbraw/zinc/06/36/62/608063662.db2.gz UNHBONULZWHWKN-LBPRGKRZSA-N -1 3 353.430 3.063 20 0 FGADHM CC(C)c1ccc2c(c1)[C@@H](NC(=O)c1cc(-c3nnn[n-]3)c[nH]1)CCC2 ZINC000824347685 608100100 /nfs/dbraw/zinc/10/01/00/608100100.db2.gz KHYWXDDLFRIVPA-INIZCTEOSA-N -1 3 350.426 3.126 20 0 FGADHM CC(C)c1ccc2c(c1)[C@@H](NC(=O)c1cc(-c3nn[n-]n3)c[nH]1)CCC2 ZINC000824347685 608100101 /nfs/dbraw/zinc/10/01/01/608100101.db2.gz KHYWXDDLFRIVPA-INIZCTEOSA-N -1 3 350.426 3.126 20 0 FGADHM C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000824968515 608102575 /nfs/dbraw/zinc/10/25/75/608102575.db2.gz QEXAMSDOBHQFKV-BMLIUANNSA-N -1 3 369.375 3.198 20 0 FGADHM C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000824968515 608102576 /nfs/dbraw/zinc/10/25/76/608102576.db2.gz QEXAMSDOBHQFKV-BMLIUANNSA-N -1 3 369.375 3.198 20 0 FGADHM CN(C)c1ccccc1N(C)Cc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000825883495 608104589 /nfs/dbraw/zinc/10/45/89/608104589.db2.gz INQQMWNGMFVXEC-UHFFFAOYSA-N -1 3 374.395 3.171 20 0 FGADHM CN(C)c1ccccc1N(C)Cc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000825883495 608104590 /nfs/dbraw/zinc/10/45/90/608104590.db2.gz INQQMWNGMFVXEC-UHFFFAOYSA-N -1 3 374.395 3.171 20 0 FGADHM CCSc1cccc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC)c1 ZINC000825674377 608114752 /nfs/dbraw/zinc/11/47/52/608114752.db2.gz KRGHMTPGOBIZFE-UHFFFAOYSA-N -1 3 355.423 3.240 20 0 FGADHM CCSc1cccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC)c1 ZINC000825674377 608114753 /nfs/dbraw/zinc/11/47/53/608114753.db2.gz KRGHMTPGOBIZFE-UHFFFAOYSA-N -1 3 355.423 3.240 20 0 FGADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CC[C@@H](C(C)(C)C)C1 ZINC000824207390 608131234 /nfs/dbraw/zinc/13/12/34/608131234.db2.gz VOMQSEXFEMGCGI-PBHICJAKSA-N -1 3 371.485 3.165 20 0 FGADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CC[C@@H](C(C)(C)C)C1 ZINC000824207390 608131235 /nfs/dbraw/zinc/13/12/35/608131235.db2.gz VOMQSEXFEMGCGI-PBHICJAKSA-N -1 3 371.485 3.165 20 0 FGADHM COCCOc1ccc(-c2nnn[n-]2)cc1NCc1ncc(C(C)C)s1 ZINC000826162541 608136570 /nfs/dbraw/zinc/13/65/70/608136570.db2.gz HLXKXXAAQXBUJJ-UHFFFAOYSA-N -1 3 374.470 3.084 20 0 FGADHM COCCOc1ccc(-c2nn[n-]n2)cc1NCc1ncc(C(C)C)s1 ZINC000826162541 608136571 /nfs/dbraw/zinc/13/65/71/608136571.db2.gz HLXKXXAAQXBUJJ-UHFFFAOYSA-N -1 3 374.470 3.084 20 0 FGADHM Cc1cc([C@H]2CN(Cc3cc(F)ccc3-c3nnn[n-]3)CCO2)ccc1F ZINC000826266651 608172491 /nfs/dbraw/zinc/17/24/91/608172491.db2.gz WWQPSRXLSPPVQO-GOSISDBHSA-N -1 3 371.391 3.027 20 0 FGADHM Cc1cc([C@H]2CN(Cc3cc(F)ccc3-c3nn[n-]n3)CCO2)ccc1F ZINC000826266651 608172492 /nfs/dbraw/zinc/17/24/92/608172492.db2.gz WWQPSRXLSPPVQO-GOSISDBHSA-N -1 3 371.391 3.027 20 0 FGADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)C1(CC)CCCC1 ZINC000825788604 608175796 /nfs/dbraw/zinc/17/57/96/608175796.db2.gz SCMDYQCCBXTLNK-UHFFFAOYSA-N -1 3 353.430 3.145 20 0 FGADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)C1(CC)CCCC1 ZINC000825788604 608175797 /nfs/dbraw/zinc/17/57/97/608175797.db2.gz SCMDYQCCBXTLNK-UHFFFAOYSA-N -1 3 353.430 3.145 20 0 FGADHM Cc1nsc(Nc2ccc(OCc3cccc(-c4nnn[n-]4)c3)cc2)n1 ZINC000826340197 608182204 /nfs/dbraw/zinc/18/22/04/608182204.db2.gz MOJWQSUECMBPFB-UHFFFAOYSA-N -1 3 365.422 3.349 20 0 FGADHM Cc1nsc(Nc2ccc(OCc3cccc(-c4nn[n-]n4)c3)cc2)n1 ZINC000826340197 608182206 /nfs/dbraw/zinc/18/22/06/608182206.db2.gz MOJWQSUECMBPFB-UHFFFAOYSA-N -1 3 365.422 3.349 20 0 FGADHM CCCn1nc(C)c(C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1C ZINC000825363245 608182550 /nfs/dbraw/zinc/18/25/50/608182550.db2.gz WDWJSYNPWAMFRU-ZDUSSCGKSA-N -1 3 354.414 3.008 20 0 FGADHM CCCn1nc(C)c(C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1C ZINC000825363245 608182552 /nfs/dbraw/zinc/18/25/52/608182552.db2.gz WDWJSYNPWAMFRU-ZDUSSCGKSA-N -1 3 354.414 3.008 20 0 FGADHM C[C@H](OC(=O)[C@@H]1CCOc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000824716249 608183597 /nfs/dbraw/zinc/18/35/97/608183597.db2.gz XAYLXBCPGAAEMN-BLLLJJGKSA-N -1 3 350.378 3.037 20 0 FGADHM C[C@H](OC(=O)[C@@H]1CCOc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000824716249 608183599 /nfs/dbraw/zinc/18/35/99/608183599.db2.gz XAYLXBCPGAAEMN-BLLLJJGKSA-N -1 3 350.378 3.037 20 0 FGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1)c1cc(F)c(Cl)cc1F ZINC000826465880 608186151 /nfs/dbraw/zinc/18/61/51/608186151.db2.gz HHQGPBHVDDSWNW-UHFFFAOYSA-N -1 3 350.712 3.155 20 0 FGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1)c1cc(F)c(Cl)cc1F ZINC000826465880 608186152 /nfs/dbraw/zinc/18/61/52/608186152.db2.gz HHQGPBHVDDSWNW-UHFFFAOYSA-N -1 3 350.712 3.155 20 0 FGADHM C[C@H](COC(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1cccc(Cl)c1 ZINC000824440197 608186557 /nfs/dbraw/zinc/18/65/57/608186557.db2.gz BGNYQUPVFQIOBV-GFCCVEGCSA-N -1 3 356.813 3.410 20 0 FGADHM C[C@H](COC(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1cccc(Cl)c1 ZINC000824440197 608186558 /nfs/dbraw/zinc/18/65/58/608186558.db2.gz BGNYQUPVFQIOBV-GFCCVEGCSA-N -1 3 356.813 3.410 20 0 FGADHM CC(C)(C)[C@@H](O)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824072516 608199330 /nfs/dbraw/zinc/19/93/30/608199330.db2.gz WIMZYDAIDYOXIF-INIZCTEOSA-N -1 3 367.409 3.005 20 0 FGADHM CC(C)(C)[C@@H](O)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824072516 608199332 /nfs/dbraw/zinc/19/93/32/608199332.db2.gz WIMZYDAIDYOXIF-INIZCTEOSA-N -1 3 367.409 3.005 20 0 FGADHM CSc1nc(C2CC2)cc(C(=O)N[C@@H](C)C2CCCC2)c1-c1nnn[n-]1 ZINC000826231690 608199864 /nfs/dbraw/zinc/19/98/64/608199864.db2.gz VVVCLIQBCXIXFF-JTQLQIEISA-N -1 3 372.498 3.170 20 0 FGADHM C[C@H]1CCCCN1C(=O)CSc1cccc(Cl)c1-c1nnn[n-]1 ZINC000824936599 608205894 /nfs/dbraw/zinc/20/58/94/608205894.db2.gz KCNDIVDSILVOIZ-JTQLQIEISA-N -1 3 351.863 3.013 20 0 FGADHM C[C@H]1CCCCN1C(=O)CSc1cccc(Cl)c1-c1nn[n-]n1 ZINC000824936599 608205895 /nfs/dbraw/zinc/20/58/95/608205895.db2.gz KCNDIVDSILVOIZ-JTQLQIEISA-N -1 3 351.863 3.013 20 0 FGADHM CC(C)Oc1ncccc1CNc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000824338090 608222713 /nfs/dbraw/zinc/22/27/13/608222713.db2.gz PBKWNSJXDMFDOJ-UHFFFAOYSA-N -1 3 361.409 3.209 20 0 FGADHM CC(C)Oc1ncccc1CNc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000824338090 608222714 /nfs/dbraw/zinc/22/27/14/608222714.db2.gz PBKWNSJXDMFDOJ-UHFFFAOYSA-N -1 3 361.409 3.209 20 0 FGADHM COc1cccc(CNc2ccc3cc(-c4nnn[n-]4)ccc3n2)c1OC ZINC000826216420 608223546 /nfs/dbraw/zinc/22/35/46/608223546.db2.gz XTPYADHHIVHUEM-UHFFFAOYSA-N -1 3 362.393 3.044 20 0 FGADHM COc1cccc(CNc2ccc3cc(-c4nn[n-]n4)ccc3n2)c1OC ZINC000826216420 608223548 /nfs/dbraw/zinc/22/35/48/608223548.db2.gz XTPYADHHIVHUEM-UHFFFAOYSA-N -1 3 362.393 3.044 20 0 FGADHM c1cc(OCC2CC2)ncc1CNc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000826517508 608226126 /nfs/dbraw/zinc/22/61/26/608226126.db2.gz FWQSLPLJXIPCPS-UHFFFAOYSA-N -1 3 373.420 3.211 20 0 FGADHM c1cc(OCC2CC2)ncc1CNc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000826517508 608226128 /nfs/dbraw/zinc/22/61/28/608226128.db2.gz FWQSLPLJXIPCPS-UHFFFAOYSA-N -1 3 373.420 3.211 20 0 FGADHM CC(C)(C)[C@@H]1C[C@H](Nc2ccc3cc(-c4nnn[n-]4)ccc3n2)CCO1 ZINC000824079632 608234007 /nfs/dbraw/zinc/23/40/07/608234007.db2.gz QMXJYXZEBLQCLW-ZBFHGGJFSA-N -1 3 352.442 3.421 20 0 FGADHM CC(C)(C)[C@@H]1C[C@H](Nc2ccc3cc(-c4nn[n-]n4)ccc3n2)CCO1 ZINC000824079632 608234009 /nfs/dbraw/zinc/23/40/09/608234009.db2.gz QMXJYXZEBLQCLW-ZBFHGGJFSA-N -1 3 352.442 3.421 20 0 FGADHM Fc1cccc([C@@H](NCc2ccc(-c3nnn[n-]3)s2)c2ccccn2)c1 ZINC000826376596 608243357 /nfs/dbraw/zinc/24/33/57/608243357.db2.gz KMXOEOQTXHCELI-QGZVFWFLSA-N -1 3 366.425 3.342 20 0 FGADHM Fc1cccc([C@@H](NCc2ccc(-c3nn[n-]n3)s2)c2ccccn2)c1 ZINC000826376596 608243359 /nfs/dbraw/zinc/24/33/59/608243359.db2.gz KMXOEOQTXHCELI-QGZVFWFLSA-N -1 3 366.425 3.342 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)c1ccc(Cl)c(F)c1 ZINC000825608982 608247441 /nfs/dbraw/zinc/24/74/41/608247441.db2.gz GGAOOGFIWMIHAK-UHFFFAOYSA-N -1 3 362.748 3.277 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)c1ccc(Cl)c(F)c1 ZINC000825608982 608247442 /nfs/dbraw/zinc/24/74/42/608247442.db2.gz GGAOOGFIWMIHAK-UHFFFAOYSA-N -1 3 362.748 3.277 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)C(F)(F)c1ccccc1F ZINC000826252705 608248660 /nfs/dbraw/zinc/24/86/60/608248660.db2.gz OSRKSNYJOAESPU-UHFFFAOYSA-N -1 3 362.311 3.149 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)C(F)(F)c1ccccc1F ZINC000826252705 608248662 /nfs/dbraw/zinc/24/86/62/608248662.db2.gz OSRKSNYJOAESPU-UHFFFAOYSA-N -1 3 362.311 3.149 20 0 FGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)C=C1CCSCC1 ZINC000824318969 608259572 /nfs/dbraw/zinc/25/95/72/608259572.db2.gz BUWYCURWFGMCBL-UHFFFAOYSA-N -1 3 359.455 3.046 20 0 FGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)C=C1CCSCC1 ZINC000824318969 608259573 /nfs/dbraw/zinc/25/95/73/608259573.db2.gz BUWYCURWFGMCBL-UHFFFAOYSA-N -1 3 359.455 3.046 20 0 FGADHM COc1ccc2cc(CN(C)c3nc(C)ccc3-c3nnn[n-]3)ccc2c1 ZINC000826213430 608270121 /nfs/dbraw/zinc/27/01/21/608270121.db2.gz WQFPMTXSJSZDBB-UHFFFAOYSA-N -1 3 360.421 3.368 20 0 FGADHM COc1ccc2cc(CN(C)c3nc(C)ccc3-c3nn[n-]n3)ccc2c1 ZINC000826213430 608270123 /nfs/dbraw/zinc/27/01/23/608270123.db2.gz WQFPMTXSJSZDBB-UHFFFAOYSA-N -1 3 360.421 3.368 20 0 FGADHM c1ccc2c(c1)SC[C@H]2Nc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC000826524131 608289407 /nfs/dbraw/zinc/28/94/07/608289407.db2.gz KQUYGZKSTKGEEW-OAHLLOKOSA-N -1 3 350.451 3.399 20 0 FGADHM c1ccc2c(c1)SC[C@H]2Nc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC000826524131 608289408 /nfs/dbraw/zinc/28/94/08/608289408.db2.gz KQUYGZKSTKGEEW-OAHLLOKOSA-N -1 3 350.451 3.399 20 0 FGADHM Cc1noc([C@H](C)NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)n1 ZINC000826338455 608291921 /nfs/dbraw/zinc/29/19/21/608291921.db2.gz WBLCSWOEMRWJDL-LBPRGKRZSA-N -1 3 361.409 3.076 20 0 FGADHM Cc1noc([C@H](C)NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)n1 ZINC000826338455 608291924 /nfs/dbraw/zinc/29/19/24/608291924.db2.gz WBLCSWOEMRWJDL-LBPRGKRZSA-N -1 3 361.409 3.076 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)c(N2CC[C@H](CSc3ccccc3)C2)n1 ZINC000826274083 608292372 /nfs/dbraw/zinc/29/23/72/608292372.db2.gz GOCUVKRPIYPENU-AWEZNQCLSA-N -1 3 352.467 3.189 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)c(N2CC[C@H](CSc3ccccc3)C2)n1 ZINC000826274083 608292374 /nfs/dbraw/zinc/29/23/74/608292374.db2.gz GOCUVKRPIYPENU-AWEZNQCLSA-N -1 3 352.467 3.189 20 0 FGADHM Cc1cccc([C@@H](Nc2nc(C)ccc2-c2nnn[n-]2)c2ccccn2)c1 ZINC000826297003 608302203 /nfs/dbraw/zinc/30/22/03/608302203.db2.gz RKLHBQWTPLHPPI-GOSISDBHSA-N -1 3 357.421 3.475 20 0 FGADHM Cc1cccc([C@@H](Nc2nc(C)ccc2-c2nn[n-]n2)c2ccccn2)c1 ZINC000826297003 608302205 /nfs/dbraw/zinc/30/22/05/608302205.db2.gz RKLHBQWTPLHPPI-GOSISDBHSA-N -1 3 357.421 3.475 20 0 FGADHM O=C(NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)c1ccccc1 ZINC000826441075 608304370 /nfs/dbraw/zinc/30/43/70/608304370.db2.gz MUAQUTXRKWGQNO-UHFFFAOYSA-N -1 3 355.401 3.464 20 0 FGADHM O=C(NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)c1ccccc1 ZINC000826441075 608304373 /nfs/dbraw/zinc/30/43/73/608304373.db2.gz MUAQUTXRKWGQNO-UHFFFAOYSA-N -1 3 355.401 3.464 20 0 FGADHM CCc1cnccc1[C@H](C)NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000825733354 608339131 /nfs/dbraw/zinc/33/91/31/608339131.db2.gz DCDPAEDTDXSUCS-JTQLQIEISA-N -1 3 371.832 3.360 20 0 FGADHM CCc1cnccc1[C@H](C)NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000825733354 608339133 /nfs/dbraw/zinc/33/91/33/608339133.db2.gz DCDPAEDTDXSUCS-JTQLQIEISA-N -1 3 371.832 3.360 20 0 FGADHM COc1c(C)cc(C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)cc1C ZINC000826167196 608341024 /nfs/dbraw/zinc/34/10/24/608341024.db2.gz TUDYPVXJWVTGBZ-UHFFFAOYSA-N -1 3 368.441 3.301 20 0 FGADHM COc1c(C)cc(C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)cc1C ZINC000826167196 608341026 /nfs/dbraw/zinc/34/10/26/608341026.db2.gz TUDYPVXJWVTGBZ-UHFFFAOYSA-N -1 3 368.441 3.301 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)CC/C=C/c1ccccc1 ZINC000826171572 608360431 /nfs/dbraw/zinc/36/04/31/608360431.db2.gz REGAJUWLWXARNZ-WEVVVXLNSA-N -1 3 364.405 3.412 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)CC/C=C/c1ccccc1 ZINC000826171572 608360433 /nfs/dbraw/zinc/36/04/33/608360433.db2.gz REGAJUWLWXARNZ-WEVVVXLNSA-N -1 3 364.405 3.412 20 0 FGADHM FC(F)(F)c1ccc(NCCCNc2ccccn2)c(-c2nnn[n-]2)c1 ZINC000826368786 608369629 /nfs/dbraw/zinc/36/96/29/608369629.db2.gz BBDSCSLPSGAFFO-UHFFFAOYSA-N -1 3 363.347 3.195 20 0 FGADHM FC(F)(F)c1ccc(NCCCNc2ccccn2)c(-c2nn[n-]n2)c1 ZINC000826368786 608369631 /nfs/dbraw/zinc/36/96/31/608369631.db2.gz BBDSCSLPSGAFFO-UHFFFAOYSA-N -1 3 363.347 3.195 20 0 FGADHM c1[nH]c(CNc2ccc3cc(-c4nnn[n-]4)ccc3n2)nc1-c1ccccc1 ZINC000826519419 608376740 /nfs/dbraw/zinc/37/67/40/608376740.db2.gz XVWORHFJGMODHH-UHFFFAOYSA-N -1 3 368.404 3.417 20 0 FGADHM c1[nH]c(CNc2ccc3cc(-c4nn[n-]n4)ccc3n2)nc1-c1ccccc1 ZINC000826519419 608376741 /nfs/dbraw/zinc/37/67/41/608376741.db2.gz XVWORHFJGMODHH-UHFFFAOYSA-N -1 3 368.404 3.417 20 0 FGADHM CC(C)(C(=O)OCC(=O)c1ccc(-c2nnn[n-]2)cc1)C1CCCCC1 ZINC000824064233 608379931 /nfs/dbraw/zinc/37/99/31/608379931.db2.gz CWBHMSHKWZPHFM-UHFFFAOYSA-N -1 3 356.426 3.199 20 0 FGADHM CC(C)(C(=O)OCC(=O)c1ccc(-c2nn[n-]n2)cc1)C1CCCCC1 ZINC000824064233 608379933 /nfs/dbraw/zinc/37/99/33/608379933.db2.gz CWBHMSHKWZPHFM-UHFFFAOYSA-N -1 3 356.426 3.199 20 0 FGADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(N2CCC[C@@H]2c2ccncc2)n1 ZINC000826368469 608398435 /nfs/dbraw/zinc/39/84/35/608398435.db2.gz QMFYVNWZNMCYNM-GFCCVEGCSA-N -1 3 361.331 3.017 20 0 FGADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(N2CCC[C@@H]2c2ccncc2)n1 ZINC000826368469 608398437 /nfs/dbraw/zinc/39/84/37/608398437.db2.gz QMFYVNWZNMCYNM-GFCCVEGCSA-N -1 3 361.331 3.017 20 0 FGADHM Cc1cccn2cc(CNc3ccc(C(F)(F)F)cc3-c3nnn[n-]3)nc12 ZINC000826308222 608408960 /nfs/dbraw/zinc/40/89/60/608408960.db2.gz OWDRNBQMMYCTTK-UHFFFAOYSA-N -1 3 373.342 3.454 20 0 FGADHM Cc1cccn2cc(CNc3ccc(C(F)(F)F)cc3-c3nn[n-]n3)nc12 ZINC000826308222 608408961 /nfs/dbraw/zinc/40/89/61/608408961.db2.gz OWDRNBQMMYCTTK-UHFFFAOYSA-N -1 3 373.342 3.454 20 0 FGADHM CC(C)Oc1cccc(CC(=O)OCc2cccc(-c3nnn[n-]3)c2F)c1 ZINC000824333888 608444269 /nfs/dbraw/zinc/44/42/69/608444269.db2.gz PFKBSAFLVADTFI-UHFFFAOYSA-N -1 3 370.384 3.079 20 0 FGADHM CC(C)Oc1cccc(CC(=O)OCc2cccc(-c3nn[n-]n3)c2F)c1 ZINC000824333888 608444271 /nfs/dbraw/zinc/44/42/71/608444271.db2.gz PFKBSAFLVADTFI-UHFFFAOYSA-N -1 3 370.384 3.079 20 0 FGADHM Cc1cccc(C2(C(=O)OCc3cccc(-c4nnn[n-]4)c3F)CC2)c1 ZINC000826296781 608445541 /nfs/dbraw/zinc/44/55/41/608445541.db2.gz IVZLKLNEDJUVLS-UHFFFAOYSA-N -1 3 352.369 3.089 20 0 FGADHM Cc1cccc(C2(C(=O)OCc3cccc(-c4nn[n-]n4)c3F)CC2)c1 ZINC000826296781 608445543 /nfs/dbraw/zinc/44/55/43/608445543.db2.gz IVZLKLNEDJUVLS-UHFFFAOYSA-N -1 3 352.369 3.089 20 0 FGADHM CC(C)Oc1ccccc1C(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000824333122 608447488 /nfs/dbraw/zinc/44/74/88/608447488.db2.gz DSWNGOFRQMBBDH-UHFFFAOYSA-N -1 3 356.357 3.150 20 0 FGADHM CC(C)Oc1ccccc1C(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000824333122 608447491 /nfs/dbraw/zinc/44/74/91/608447491.db2.gz DSWNGOFRQMBBDH-UHFFFAOYSA-N -1 3 356.357 3.150 20 0 FGADHM O=C(C/C=C/c1ccc(F)cc1)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826405263 608451976 /nfs/dbraw/zinc/45/19/76/608451976.db2.gz ZZBMHCFKNVPPHM-HNQUOIGGSA-N -1 3 356.332 3.292 20 0 FGADHM O=C(C/C=C/c1ccc(F)cc1)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826405263 608451978 /nfs/dbraw/zinc/45/19/78/608451978.db2.gz ZZBMHCFKNVPPHM-HNQUOIGGSA-N -1 3 356.332 3.292 20 0 FGADHM CCO[C@H](C)c1nc(CN[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000825577217 608465738 /nfs/dbraw/zinc/46/57/38/608465738.db2.gz UFVIHEQPPRYLMS-NWDGAFQWSA-N -1 3 358.471 3.272 20 0 FGADHM CCO[C@H](C)c1nc(CN[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000825577217 608465740 /nfs/dbraw/zinc/46/57/40/608465740.db2.gz UFVIHEQPPRYLMS-NWDGAFQWSA-N -1 3 358.471 3.272 20 0 FGADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OCCCSC(C)(C)C ZINC000824737398 608475902 /nfs/dbraw/zinc/47/59/02/608475902.db2.gz GBQMOJMSCZXLLX-LBPRGKRZSA-N -1 3 364.471 3.099 20 0 FGADHM O=C(c1cccc(F)c1F)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826473819 608487191 /nfs/dbraw/zinc/48/71/91/608487191.db2.gz PPUNOQNMIXLFLT-UHFFFAOYSA-N -1 3 367.359 3.074 20 0 FGADHM O=C(c1cccc(F)c1F)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826473819 608487192 /nfs/dbraw/zinc/48/71/92/608487192.db2.gz PPUNOQNMIXLFLT-UHFFFAOYSA-N -1 3 367.359 3.074 20 0 FGADHM CCO[C@@H](C)c1nc(CN[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000825575939 608488730 /nfs/dbraw/zinc/48/87/30/608488730.db2.gz AJDMOWXNRXQAFU-RYUDHWBXSA-N -1 3 358.471 3.272 20 0 FGADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)Nc1c(F)cc(Cl)cc1F ZINC000826442557 608509471 /nfs/dbraw/zinc/50/94/71/608509471.db2.gz ANKLNNCZSVABTH-UHFFFAOYSA-N -1 3 364.743 3.120 20 0 FGADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)Nc1c(F)cc(Cl)cc1F ZINC000826442557 608509473 /nfs/dbraw/zinc/50/94/73/608509473.db2.gz ANKLNNCZSVABTH-UHFFFAOYSA-N -1 3 364.743 3.120 20 0 FGADHM C[C@@H](c1ccccc1Cl)N(C)Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000824771661 608523202 /nfs/dbraw/zinc/52/32/02/608523202.db2.gz RZGIVUGMXCSNPH-LBPRGKRZSA-N -1 3 367.844 3.361 20 0 FGADHM C[C@@H](c1ccccc1Cl)N(C)Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000824771661 608523204 /nfs/dbraw/zinc/52/32/04/608523204.db2.gz RZGIVUGMXCSNPH-LBPRGKRZSA-N -1 3 367.844 3.361 20 0 FGADHM c1cc2n(c1)CCN(Cc1cc(-c3nnn[n-]3)cs1)[C@H]2c1ccccc1 ZINC000826520113 608544630 /nfs/dbraw/zinc/54/46/30/608544630.db2.gz ARIUFZBCDYZCFR-SFHVURJKSA-N -1 3 362.462 3.335 20 0 FGADHM c1cc2n(c1)CCN(Cc1cc(-c3nn[n-]n3)cs1)[C@H]2c1ccccc1 ZINC000826520113 608544632 /nfs/dbraw/zinc/54/46/32/608544632.db2.gz ARIUFZBCDYZCFR-SFHVURJKSA-N -1 3 362.462 3.335 20 0 FGADHM Cc1nc(NC2CCC(Oc3ccc(-c4nnn[n-]4)cn3)CC2)sc1C ZINC000826327194 608558300 /nfs/dbraw/zinc/55/83/00/608558300.db2.gz WZYBTTVSUKEPMM-UHFFFAOYSA-N -1 3 371.470 3.137 20 0 FGADHM Cc1nc(NC2CCC(Oc3ccc(-c4nn[n-]n4)cn3)CC2)sc1C ZINC000826327194 608558301 /nfs/dbraw/zinc/55/83/01/608558301.db2.gz WZYBTTVSUKEPMM-UHFFFAOYSA-N -1 3 371.470 3.137 20 0 FGADHM CC[C@@H](C(=O)Nc1cc(-c2nnn[n-]2)ccc1C)c1ccc(OC)cc1 ZINC000825040074 608583957 /nfs/dbraw/zinc/58/39/57/608583957.db2.gz YMBLCOFXLPYDQQ-MRXNPFEDSA-N -1 3 351.410 3.316 20 0 FGADHM CC[C@@H](C(=O)Nc1cc(-c2nn[n-]n2)ccc1C)c1ccc(OC)cc1 ZINC000825040074 608583959 /nfs/dbraw/zinc/58/39/59/608583959.db2.gz YMBLCOFXLPYDQQ-MRXNPFEDSA-N -1 3 351.410 3.316 20 0 FGADHM Cc1nnc(N2CC=C(c3cccc4ccccc43)C2)c(-c2nnn[n-]2)c1C ZINC000826336434 608585630 /nfs/dbraw/zinc/58/56/30/608585630.db2.gz YBILBBLLTRKTKV-UHFFFAOYSA-N -1 3 369.432 3.330 20 0 FGADHM Cc1nnc(N2CC=C(c3cccc4ccccc43)C2)c(-c2nn[n-]n2)c1C ZINC000826336434 608585631 /nfs/dbraw/zinc/58/56/31/608585631.db2.gz YBILBBLLTRKTKV-UHFFFAOYSA-N -1 3 369.432 3.330 20 0 FGADHM Fc1c(CSc2ncccc2Br)cccc1-c1nnn[n-]1 ZINC000826371646 608673309 /nfs/dbraw/zinc/67/33/09/608673309.db2.gz OLOGUQSCGZOKBR-UHFFFAOYSA-N -1 3 366.219 3.456 20 0 FGADHM Fc1c(CSc2ncccc2Br)cccc1-c1nn[n-]n1 ZINC000826371646 608673311 /nfs/dbraw/zinc/67/33/11/608673311.db2.gz OLOGUQSCGZOKBR-UHFFFAOYSA-N -1 3 366.219 3.456 20 0 FGADHM c1cc(-c2nn[n-]n2)oc1CN1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000826524127 608742271 /nfs/dbraw/zinc/74/22/71/608742271.db2.gz KIVFNKUGURBLOJ-CQSZACIVSA-N -1 3 350.382 3.328 20 0 FGADHM Fc1cccc(Oc2ncccc2CNc2cnccc2-c2nnn[n-]2)c1 ZINC000826378113 608775353 /nfs/dbraw/zinc/77/53/53/608775353.db2.gz VSXGAFFIJGLFQO-UHFFFAOYSA-N -1 3 363.356 3.200 20 0 FGADHM Fc1cccc(Oc2ncccc2CNc2cnccc2-c2nn[n-]n2)c1 ZINC000826378113 608775354 /nfs/dbraw/zinc/77/53/54/608775354.db2.gz VSXGAFFIJGLFQO-UHFFFAOYSA-N -1 3 363.356 3.200 20 0 FGADHM Fc1c(Cl)cccc1CN1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826371707 608854479 /nfs/dbraw/zinc/85/44/79/608854479.db2.gz QOVMCNOUIZOCKQ-INIZCTEOSA-N -1 3 373.819 3.233 20 0 FGADHM Fc1c(Cl)cccc1CN1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826371707 608854482 /nfs/dbraw/zinc/85/44/82/608854482.db2.gz QOVMCNOUIZOCKQ-INIZCTEOSA-N -1 3 373.819 3.233 20 0 FGADHM O=C(CCC(=O)c1ccccc1)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826405646 609155589 /nfs/dbraw/zinc/15/55/89/609155589.db2.gz NROCXHMHUDANLA-UHFFFAOYSA-N -1 3 370.796 3.226 20 0 FGADHM O=C(CCC(=O)c1ccccc1)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826405646 609155591 /nfs/dbraw/zinc/15/55/91/609155591.db2.gz NROCXHMHUDANLA-UHFFFAOYSA-N -1 3 370.796 3.226 20 0 FGADHM Cc1cc(C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)nn1[C@H](C)C1CC1 ZINC000826260372 609158470 /nfs/dbraw/zinc/15/84/70/609158470.db2.gz LBKIHMITNMKSJX-SNVBAGLBSA-N -1 3 371.832 3.248 20 0 FGADHM Cc1cc(C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)nn1[C@H](C)C1CC1 ZINC000826260372 609158473 /nfs/dbraw/zinc/15/84/73/609158473.db2.gz LBKIHMITNMKSJX-SNVBAGLBSA-N -1 3 371.832 3.248 20 0 FGADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)[C@@H]2C[C@H]2C2CC2)c1-c1nnn[n-]1 ZINC000826233677 609168438 /nfs/dbraw/zinc/16/84/38/609168438.db2.gz QYSQHESKCRPOQR-JKSUJKDBSA-N -1 3 362.437 3.259 20 0 FGADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)[C@@H]2C[C@H]2C2CC2)c1-c1nn[n-]n1 ZINC000826233677 609168440 /nfs/dbraw/zinc/16/84/40/609168440.db2.gz QYSQHESKCRPOQR-JKSUJKDBSA-N -1 3 362.437 3.259 20 0 FGADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)c2cnccc2C)c1-c1nnn[n-]1 ZINC000826314797 609168607 /nfs/dbraw/zinc/16/86/07/609168607.db2.gz MTEUARAFGRIBOY-UHFFFAOYSA-N -1 3 373.420 3.230 20 0 FGADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)c2cnccc2C)c1-c1nn[n-]n1 ZINC000826314797 609168608 /nfs/dbraw/zinc/16/86/08/609168608.db2.gz MTEUARAFGRIBOY-UHFFFAOYSA-N -1 3 373.420 3.230 20 0 FGADHM CC(C)C[C@H]1C[C@@H](Nc2nc3c(cc2-c2nnn[n-]2)CCCC3)CCO1 ZINC000824243544 609170781 /nfs/dbraw/zinc/17/07/81/609170781.db2.gz IUYGJZIXASRDBE-GJZGRUSLSA-N -1 3 356.474 3.146 20 0 FGADHM CC(C)C[C@H]1C[C@@H](Nc2nc3c(cc2-c2nn[n-]n2)CCCC3)CCO1 ZINC000824243544 609170782 /nfs/dbraw/zinc/17/07/82/609170782.db2.gz IUYGJZIXASRDBE-GJZGRUSLSA-N -1 3 356.474 3.146 20 0 FGADHM COCCOc1ccc(N[C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)cc1 ZINC000826162780 609176163 /nfs/dbraw/zinc/17/61/63/609176163.db2.gz RRLPGSNMBNIQPB-IBGZPJMESA-N -1 3 365.437 3.381 20 0 FGADHM COCCOc1ccc(N[C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)cc1 ZINC000826162780 609176165 /nfs/dbraw/zinc/17/61/65/609176165.db2.gz RRLPGSNMBNIQPB-IBGZPJMESA-N -1 3 365.437 3.381 20 0 FGADHM CCCCCc1ccc(NC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000825276354 609185097 /nfs/dbraw/zinc/18/50/97/609185097.db2.gz XAIFADMIBCTZID-GOSISDBHSA-N -1 3 365.437 3.272 20 0 FGADHM CCCCCc1ccc(NC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825276354 609185099 /nfs/dbraw/zinc/18/50/99/609185099.db2.gz XAIFADMIBCTZID-GOSISDBHSA-N -1 3 365.437 3.272 20 0 FGADHM O=C(CSCc1ccc(CF)cc1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000826420431 609185749 /nfs/dbraw/zinc/18/57/49/609185749.db2.gz MMCPSLBHIXBKAX-UHFFFAOYSA-N -1 3 357.414 3.208 20 0 FGADHM O=C(CSCc1ccc(CF)cc1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000826420431 609185750 /nfs/dbraw/zinc/18/57/50/609185750.db2.gz MMCPSLBHIXBKAX-UHFFFAOYSA-N -1 3 357.414 3.208 20 0 FGADHM CC(C)(NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1ccc(Cl)c(Cl)c1 ZINC000824166803 609205213 /nfs/dbraw/zinc/20/52/13/609205213.db2.gz KTDYACACKQCJDV-UHFFFAOYSA-N -1 3 365.224 3.167 20 0 FGADHM CC(C)(NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccc(Cl)c(Cl)c1 ZINC000824166803 609205214 /nfs/dbraw/zinc/20/52/14/609205214.db2.gz KTDYACACKQCJDV-UHFFFAOYSA-N -1 3 365.224 3.167 20 0 FGADHM O=C(N[C@H](c1ccc(Cl)cc1)C1CCC1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826427026 609210613 /nfs/dbraw/zinc/21/06/13/609210613.db2.gz CYDICSQVXRDLGX-HNNXBMFYSA-N -1 3 356.817 3.119 20 0 FGADHM O=C(N[C@H](c1ccc(Cl)cc1)C1CCC1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826427026 609210614 /nfs/dbraw/zinc/21/06/14/609210614.db2.gz CYDICSQVXRDLGX-HNNXBMFYSA-N -1 3 356.817 3.119 20 0 FGADHM Cc1ccc(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)c(Oc2ccccc2)c1 ZINC000826288030 609224376 /nfs/dbraw/zinc/22/43/76/609224376.db2.gz NUBTYRMDFKORBA-UHFFFAOYSA-N -1 3 374.404 3.226 20 0 FGADHM Cc1ccc(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)c(Oc2ccccc2)c1 ZINC000826288030 609224378 /nfs/dbraw/zinc/22/43/78/609224378.db2.gz NUBTYRMDFKORBA-UHFFFAOYSA-N -1 3 374.404 3.226 20 0 FGADHM Cc1cc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2C)nn1[C@H](C)C1CC1 ZINC000826254005 609237580 /nfs/dbraw/zinc/23/75/80/609237580.db2.gz PCJDZKCSTFNICS-CYBMUJFWSA-N -1 3 366.425 3.008 20 0 FGADHM Cc1cc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2C)nn1[C@H](C)C1CC1 ZINC000826254005 609237581 /nfs/dbraw/zinc/23/75/81/609237581.db2.gz PCJDZKCSTFNICS-CYBMUJFWSA-N -1 3 366.425 3.008 20 0 FGADHM CCC[C@@H](C)[C@@H](CC)Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1 ZINC000825232185 609240365 /nfs/dbraw/zinc/24/03/65/609240365.db2.gz DKLXFUXYJTZZLL-RDTXWAMCSA-N -1 3 372.517 3.455 20 0 FGADHM CCC[C@@H](C)[C@@H](CC)Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1 ZINC000825232185 609240366 /nfs/dbraw/zinc/24/03/66/609240366.db2.gz DKLXFUXYJTZZLL-RDTXWAMCSA-N -1 3 372.517 3.455 20 0 FGADHM C[C@@H](Nc1cc2c(cc1Cl)OCCO2)c1cccc(-c2nnn[n-]2)c1 ZINC000824648395 609254072 /nfs/dbraw/zinc/25/40/72/609254072.db2.gz FKECHKJMXXDIAT-SNVBAGLBSA-N -1 3 357.801 3.464 20 0 FGADHM C[C@@H](Nc1cc2c(cc1Cl)OCCO2)c1cccc(-c2nn[n-]n2)c1 ZINC000824648395 609254073 /nfs/dbraw/zinc/25/40/73/609254073.db2.gz FKECHKJMXXDIAT-SNVBAGLBSA-N -1 3 357.801 3.464 20 0 FGADHM C[C@@H](Nc1cc(N2CCCC2=O)ccc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000824650989 609254327 /nfs/dbraw/zinc/25/43/27/609254327.db2.gz WQYAROVABCZWHN-GFCCVEGCSA-N -1 3 366.400 3.306 20 0 FGADHM C[C@@H](Nc1cc(N2CCCC2=O)ccc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000824650989 609254329 /nfs/dbraw/zinc/25/43/29/609254329.db2.gz WQYAROVABCZWHN-GFCCVEGCSA-N -1 3 366.400 3.306 20 0 FGADHM O=C(Oc1cccc(Oc2cccnc2)c1)c1cc(-c2nnn[n-]2)cs1 ZINC000826468154 609258351 /nfs/dbraw/zinc/25/83/51/609258351.db2.gz CNODDTOAXGSBPT-UHFFFAOYSA-N -1 3 365.374 3.335 20 0 FGADHM O=C(Oc1cccc(Oc2cccnc2)c1)c1cc(-c2nn[n-]n2)cs1 ZINC000826468154 609258352 /nfs/dbraw/zinc/25/83/52/609258352.db2.gz CNODDTOAXGSBPT-UHFFFAOYSA-N -1 3 365.374 3.335 20 0 FGADHM Fc1cc(-c2nnn[n-]2)ccc1CNc1ccc(SC(F)F)nc1 ZINC000826371892 609266366 /nfs/dbraw/zinc/26/63/66/609266366.db2.gz YFQTUMBJMUVUQE-UHFFFAOYSA-N -1 3 352.345 3.328 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1CNc1ccc(SC(F)F)nc1 ZINC000826371892 609266367 /nfs/dbraw/zinc/26/63/67/609266367.db2.gz YFQTUMBJMUVUQE-UHFFFAOYSA-N -1 3 352.345 3.328 20 0 FGADHM C[C@H](Nc1ccc2oc(N(C)C)nc2c1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824662504 609279751 /nfs/dbraw/zinc/27/97/51/609279751.db2.gz LUOOGDNKRYPAOD-JTQLQIEISA-N -1 3 367.388 3.386 20 0 FGADHM C[C@H](Nc1ccc2oc(N(C)C)nc2c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824662504 609279753 /nfs/dbraw/zinc/27/97/53/609279753.db2.gz LUOOGDNKRYPAOD-JTQLQIEISA-N -1 3 367.388 3.386 20 0 FGADHM Fc1cccc(CNc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)c1F ZINC000826376409 609281132 /nfs/dbraw/zinc/28/11/32/609281132.db2.gz CQLFTGXLHVFVQZ-UHFFFAOYSA-N -1 3 371.326 3.082 20 0 FGADHM Cc1nc2cc(NC(=O)Nc3ccc(-c4nnn[n-]4)cc3)ccc2s1 ZINC000826328139 609283148 /nfs/dbraw/zinc/28/31/48/609283148.db2.gz HDMNMMCFQAULKN-UHFFFAOYSA-N -1 3 351.395 3.429 20 0 FGADHM Cc1nc2cc(NC(=O)Nc3ccc(-c4nn[n-]n4)cc3)ccc2s1 ZINC000826328139 609283150 /nfs/dbraw/zinc/28/31/50/609283150.db2.gz HDMNMMCFQAULKN-UHFFFAOYSA-N -1 3 351.395 3.429 20 0 FGADHM CCn1c2ccccc2nc1NC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000825793419 609286616 /nfs/dbraw/zinc/28/66/16/609286616.db2.gz UEPPWDUBLTYNRF-UHFFFAOYSA-N -1 3 367.800 3.142 20 0 FGADHM CCn1c2ccccc2nc1NC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000825793419 609286619 /nfs/dbraw/zinc/28/66/19/609286619.db2.gz UEPPWDUBLTYNRF-UHFFFAOYSA-N -1 3 367.800 3.142 20 0 FGADHM FC(F)O[C@H]1CCCN(c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)C1 ZINC000826369682 609317209 /nfs/dbraw/zinc/31/72/09/609317209.db2.gz MIXMLPZBTDYJDG-VIFPVBQESA-N -1 3 363.290 3.094 20 0 FGADHM FC(F)O[C@H]1CCCN(c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)C1 ZINC000826369682 609317211 /nfs/dbraw/zinc/31/72/11/609317211.db2.gz MIXMLPZBTDYJDG-VIFPVBQESA-N -1 3 363.290 3.094 20 0 FGADHM C[C@H](CSCC(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000824447730 609329810 /nfs/dbraw/zinc/32/98/10/609329810.db2.gz BTLZBHZHSAWUNF-CQSZACIVSA-N -1 3 367.478 3.020 20 0 FGADHM C[C@H](CSCC(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000824447730 609329812 /nfs/dbraw/zinc/32/98/12/609329812.db2.gz BTLZBHZHSAWUNF-CQSZACIVSA-N -1 3 367.478 3.020 20 0 FGADHM COc1ccc(CN[C@H](CC(C)(C)C)C(F)(F)F)cc1-c1nnn[n-]1 ZINC000826202076 609344646 /nfs/dbraw/zinc/34/46/46/609344646.db2.gz NJGFQWGYHNLDHX-CYBMUJFWSA-N -1 3 357.380 3.332 20 0 FGADHM COc1ccc(CN[C@H](CC(C)(C)C)C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826202076 609344648 /nfs/dbraw/zinc/34/46/48/609344648.db2.gz NJGFQWGYHNLDHX-CYBMUJFWSA-N -1 3 357.380 3.332 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1Br)CC(F)F ZINC000825322900 609359446 /nfs/dbraw/zinc/35/94/46/609359446.db2.gz LGMYANLSCMRFQE-UHFFFAOYSA-N -1 3 360.206 3.106 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1Br)CC(F)F ZINC000825322900 609359447 /nfs/dbraw/zinc/35/94/47/609359447.db2.gz LGMYANLSCMRFQE-UHFFFAOYSA-N -1 3 360.206 3.106 20 0 FGADHM C[C@@H](c1ccncc1)N(C)Cc1ccc(-c2nnn[n-]2)cc1Br ZINC000824770063 609366257 /nfs/dbraw/zinc/36/62/57/609366257.db2.gz DEFTVHRQYCSOLH-NSHDSACASA-N -1 3 373.258 3.217 20 0 FGADHM C[C@@H](c1ccncc1)N(C)Cc1ccc(-c2nn[n-]n2)cc1Br ZINC000824770063 609366258 /nfs/dbraw/zinc/36/62/58/609366258.db2.gz DEFTVHRQYCSOLH-NSHDSACASA-N -1 3 373.258 3.217 20 0 FGADHM CC[C@@H]1C[C@H](CC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)CCO1 ZINC000825182733 609375868 /nfs/dbraw/zinc/37/58/68/609375868.db2.gz LYIQUGKBQCFJAX-SJLPKXTDSA-N -1 3 371.485 3.199 20 0 FGADHM CC[C@@H]1C[C@H](CC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)CCO1 ZINC000825182733 609375871 /nfs/dbraw/zinc/37/58/71/609375871.db2.gz LYIQUGKBQCFJAX-SJLPKXTDSA-N -1 3 371.485 3.199 20 0 FGADHM CCOC(=O)Nc1ccc(NC(=O)[C@@H]2CCC(C)(C)C2)cc1-c1nnn[n-]1 ZINC000825532155 609395277 /nfs/dbraw/zinc/39/52/77/609395277.db2.gz OSWISQWSPCKWOZ-LLVKDONJSA-N -1 3 372.429 3.200 20 0 FGADHM CCOC(=O)Nc1ccc(NC(=O)[C@@H]2CCC(C)(C)C2)cc1-c1nn[n-]n1 ZINC000825532155 609395280 /nfs/dbraw/zinc/39/52/80/609395280.db2.gz OSWISQWSPCKWOZ-LLVKDONJSA-N -1 3 372.429 3.200 20 0 FGADHM O=C1[C@H](SC2CCCCC2)CCCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000826477503 609416029 /nfs/dbraw/zinc/41/60/29/609416029.db2.gz FHTDERKXVXASNW-MRXNPFEDSA-N -1 3 357.483 3.428 20 0 FGADHM O=C1[C@H](SC2CCCCC2)CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826477503 609416032 /nfs/dbraw/zinc/41/60/32/609416032.db2.gz FHTDERKXVXASNW-MRXNPFEDSA-N -1 3 357.483 3.428 20 0 FGADHM Cc1cnc([C@H](C)Nc2cc(C)c(-c3nnn[n-]3)c3nc4ccccc4n32)o1 ZINC000826317802 609436076 /nfs/dbraw/zinc/43/60/76/609436076.db2.gz NQHQXRWJIZJEPF-LBPRGKRZSA-N -1 3 374.408 3.446 20 0 FGADHM Cc1cnc([C@H](C)Nc2cc(C)c(-c3nn[n-]n3)c3nc4ccccc4n32)o1 ZINC000826317802 609436078 /nfs/dbraw/zinc/43/60/78/609436078.db2.gz NQHQXRWJIZJEPF-LBPRGKRZSA-N -1 3 374.408 3.446 20 0 FGADHM Cc1ccc(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)c(OCc2ccccc2)c1 ZINC000826290923 609442100 /nfs/dbraw/zinc/44/21/00/609442100.db2.gz HIKGUWWEPMZDQK-UHFFFAOYSA-N -1 3 374.404 3.335 20 0 FGADHM Cc1ccc(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)c(OCc2ccccc2)c1 ZINC000826290923 609442101 /nfs/dbraw/zinc/44/21/01/609442101.db2.gz HIKGUWWEPMZDQK-UHFFFAOYSA-N -1 3 374.404 3.335 20 0 FGADHM Cl/C=C(/Cl)CNc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000826350386 609444103 /nfs/dbraw/zinc/44/41/03/609444103.db2.gz UABVADNNIFJYST-RMKNXTFCSA-N -1 3 370.631 3.437 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NCc1cc2ccccc2nc1OC ZINC000826186291 609481469 /nfs/dbraw/zinc/48/14/69/609481469.db2.gz MMVPWGVIGFMXMA-UHFFFAOYSA-N -1 3 362.393 3.044 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NCc1cnc(-c2ccccn2)s1 ZINC000826187088 609484426 /nfs/dbraw/zinc/48/44/26/609484426.db2.gz ZIEDLVTWIAMTPI-UHFFFAOYSA-N -1 3 365.422 3.006 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NCc1cnc(-c2ccccn2)s1 ZINC000826187088 609484427 /nfs/dbraw/zinc/48/44/27/609484427.db2.gz ZIEDLVTWIAMTPI-UHFFFAOYSA-N -1 3 365.422 3.006 20 0 FGADHM COCCOc1ccc(-c2nnn[n-]2)cc1NCc1ccccc1Cl ZINC000826162668 609484685 /nfs/dbraw/zinc/48/46/85/609484685.db2.gz NAGADJSLNVSSPP-UHFFFAOYSA-N -1 3 359.817 3.157 20 0 FGADHM COCCOc1ccc(-c2nn[n-]n2)cc1NCc1ccccc1Cl ZINC000826162668 609484688 /nfs/dbraw/zinc/48/46/88/609484688.db2.gz NAGADJSLNVSSPP-UHFFFAOYSA-N -1 3 359.817 3.157 20 0 FGADHM CCOC(=O)Nc1ccc(NCc2cc(F)ccc2C)cc1-c1nnn[n-]1 ZINC000825552908 609490995 /nfs/dbraw/zinc/49/09/95/609490995.db2.gz FSXQNSFVIOTPQM-UHFFFAOYSA-N -1 3 370.388 3.495 20 0 FGADHM CCOC(=O)Nc1ccc(NCc2cc(F)ccc2C)cc1-c1nn[n-]n1 ZINC000825552908 609490996 /nfs/dbraw/zinc/49/09/96/609490996.db2.gz FSXQNSFVIOTPQM-UHFFFAOYSA-N -1 3 370.388 3.495 20 0 FGADHM Cc1ccnc(Cl)c1OCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000826308955 609499434 /nfs/dbraw/zinc/49/94/34/609499434.db2.gz XXDIPRKURPCPBV-UHFFFAOYSA-N -1 3 367.743 3.404 20 0 FGADHM Cc1ccnc(Cl)c1OCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000826308955 609499436 /nfs/dbraw/zinc/49/94/36/609499436.db2.gz XXDIPRKURPCPBV-UHFFFAOYSA-N -1 3 367.743 3.404 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C12CCC(CC1)C2 ZINC000826452094 609503043 /nfs/dbraw/zinc/50/30/43/609503043.db2.gz HLRJTHTUPPPCLU-UHFFFAOYSA-N -1 3 351.332 3.404 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C12CCC(CC1)C2 ZINC000826452094 609503046 /nfs/dbraw/zinc/50/30/46/609503046.db2.gz HLRJTHTUPPPCLU-UHFFFAOYSA-N -1 3 351.332 3.404 20 0 FGADHM Cc1cnc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CC[C@H](C)C3)c(C)c1 ZINC000826318065 609509192 /nfs/dbraw/zinc/50/91/92/609509192.db2.gz URWRFUORUGONJL-VIFPVBQESA-N -1 3 368.466 3.317 20 0 FGADHM Cc1cnc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CC[C@H](C)C3)c(C)c1 ZINC000826318065 609509193 /nfs/dbraw/zinc/50/91/93/609509193.db2.gz URWRFUORUGONJL-VIFPVBQESA-N -1 3 368.466 3.317 20 0 FGADHM C[C@@H]1CCC[C@H]1C(=O)Nc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000824925557 609511752 /nfs/dbraw/zinc/51/17/52/609511752.db2.gz FDHOXXBOEIDPBJ-ZYHUDNBSSA-N -1 3 371.832 3.081 20 0 FGADHM COc1ccc(N(C#N)Cc2ccc(-c3nnn[n-]3)cc2OC)cc1Cl ZINC000826209203 609524422 /nfs/dbraw/zinc/52/44/22/609524422.db2.gz QRAAXRDIXGGKEE-UHFFFAOYSA-N -1 3 370.800 3.025 20 0 FGADHM COc1ccc(N(C#N)Cc2ccc(-c3nn[n-]n3)cc2OC)cc1Cl ZINC000826209203 609524424 /nfs/dbraw/zinc/52/44/24/609524424.db2.gz QRAAXRDIXGGKEE-UHFFFAOYSA-N -1 3 370.800 3.025 20 0 FGADHM CCOc1ccc(CNc2ncc(Cl)c(C)c2-c2nnn[n-]2)cc1OC ZINC000825638397 609532442 /nfs/dbraw/zinc/53/24/42/609532442.db2.gz KTIBQEPKKPZNGE-UHFFFAOYSA-N -1 3 374.832 3.243 20 0 FGADHM CCOc1ccc(CNc2ncc(Cl)c(C)c2-c2nn[n-]n2)cc1OC ZINC000825638397 609532445 /nfs/dbraw/zinc/53/24/45/609532445.db2.gz KTIBQEPKKPZNGE-UHFFFAOYSA-N -1 3 374.832 3.243 20 0 FGADHM CCCCOc1ccc(CNc2nccc(C)c2-c2nnn[n-]2)cc1OC ZINC000825291231 609533741 /nfs/dbraw/zinc/53/37/41/609533741.db2.gz OMOYYRQNRBPTHL-UHFFFAOYSA-N -1 3 368.441 3.370 20 0 FGADHM CCCCOc1ccc(CNc2nccc(C)c2-c2nn[n-]n2)cc1OC ZINC000825291231 609533742 /nfs/dbraw/zinc/53/37/42/609533742.db2.gz OMOYYRQNRBPTHL-UHFFFAOYSA-N -1 3 368.441 3.370 20 0 FGADHM CCOc1c(Cl)cc(CNc2nccc(C)c2-c2nnn[n-]2)cc1OC ZINC000825605264 609536505 /nfs/dbraw/zinc/53/65/05/609536505.db2.gz SRRUALVAUYEWIM-UHFFFAOYSA-N -1 3 374.832 3.243 20 0 FGADHM CCOc1c(Cl)cc(CNc2nccc(C)c2-c2nn[n-]n2)cc1OC ZINC000825605264 609536509 /nfs/dbraw/zinc/53/65/09/609536509.db2.gz SRRUALVAUYEWIM-UHFFFAOYSA-N -1 3 374.832 3.243 20 0 FGADHM Cc1c(Cl)cnc(NCc2nc(-c3ccccc3)c[nH]2)c1-c1nnn[n-]1 ZINC000826240228 609541204 /nfs/dbraw/zinc/54/12/04/609541204.db2.gz JJHWLZYCKDTJSI-UHFFFAOYSA-N -1 3 366.816 3.226 20 0 FGADHM Cc1c(Cl)cnc(NCc2nc(-c3ccccc3)c[nH]2)c1-c1nn[n-]n1 ZINC000826240228 609541206 /nfs/dbraw/zinc/54/12/06/609541206.db2.gz JJHWLZYCKDTJSI-UHFFFAOYSA-N -1 3 366.816 3.226 20 0 FGADHM Cc1c(Cl)cnc(NCc2cccc3cccnc32)c1-c1nnn[n-]1 ZINC000826240374 609541948 /nfs/dbraw/zinc/54/19/48/609541948.db2.gz PJOCSWKSMCCVCW-UHFFFAOYSA-N -1 3 351.801 3.384 20 0 FGADHM Cc1c(Cl)cnc(NCc2cccc3cccnc32)c1-c1nn[n-]n1 ZINC000826240374 609541951 /nfs/dbraw/zinc/54/19/51/609541951.db2.gz PJOCSWKSMCCVCW-UHFFFAOYSA-N -1 3 351.801 3.384 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc([C@H]2CCCOC2)cc1 ZINC000826278598 609541971 /nfs/dbraw/zinc/54/19/71/609541971.db2.gz KYFKZAHMCTXXDB-KRWDZBQOSA-N -1 3 363.421 3.321 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc([C@H]2CCCOC2)cc1 ZINC000826278598 609541973 /nfs/dbraw/zinc/54/19/73/609541973.db2.gz KYFKZAHMCTXXDB-KRWDZBQOSA-N -1 3 363.421 3.321 20 0 FGADHM COCCSc1ccc([C@H](C)Nc2nccc(C)c2-c2nnn[n-]2)cc1 ZINC000826163081 609548459 /nfs/dbraw/zinc/54/84/59/609548459.db2.gz FSAZTMJJJARHEV-ZDUSSCGKSA-N -1 3 370.482 3.482 20 0 FGADHM COCCSc1ccc([C@H](C)Nc2nccc(C)c2-c2nn[n-]n2)cc1 ZINC000826163081 609548461 /nfs/dbraw/zinc/54/84/61/609548461.db2.gz FSAZTMJJJARHEV-ZDUSSCGKSA-N -1 3 370.482 3.482 20 0 FGADHM Cc1c(Cl)cnc(N2CCCO[C@@H](c3ccccc3)C2)c1-c1nnn[n-]1 ZINC000826237922 609548704 /nfs/dbraw/zinc/54/87/04/609548704.db2.gz QMGFBBUZHUXPSN-OAHLLOKOSA-N -1 3 370.844 3.192 20 0 FGADHM Cc1c(Cl)cnc(N2CCCO[C@@H](c3ccccc3)C2)c1-c1nn[n-]n1 ZINC000826237922 609548706 /nfs/dbraw/zinc/54/87/06/609548706.db2.gz QMGFBBUZHUXPSN-OAHLLOKOSA-N -1 3 370.844 3.192 20 0 FGADHM Cc1c(Cl)cnc(NC[C@H]2CCCO[C@H]2C(C)C)c1-c1nnn[n-]1 ZINC000826239857 609570256 /nfs/dbraw/zinc/57/02/56/609570256.db2.gz SBBIZYIWSPGGON-RISCZKNCSA-N -1 3 350.854 3.087 20 0 FGADHM Cc1c(Cl)cnc(NC[C@H]2CCCO[C@H]2C(C)C)c1-c1nn[n-]n1 ZINC000826239857 609570259 /nfs/dbraw/zinc/57/02/59/609570259.db2.gz SBBIZYIWSPGGON-RISCZKNCSA-N -1 3 350.854 3.087 20 0 FGADHM Fc1cc(F)c2ncc(-c3nnn[n-]3)c(NCC[C@H]3CCCCO3)c2c1 ZINC000826372549 609581535 /nfs/dbraw/zinc/58/15/35/609581535.db2.gz BIHRWEWCSOXWEH-LLVKDONJSA-N -1 3 360.368 3.064 20 0 FGADHM Fc1cc(F)c2ncc(-c3nn[n-]n3)c(NCC[C@H]3CCCCO3)c2c1 ZINC000826372549 609581536 /nfs/dbraw/zinc/58/15/36/609581536.db2.gz BIHRWEWCSOXWEH-LLVKDONJSA-N -1 3 360.368 3.064 20 0 FGADHM CC(=O)c1cccc(C(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000824030222 609615318 /nfs/dbraw/zinc/61/53/18/609615318.db2.gz ZWJGHNPCTGKGCM-UHFFFAOYSA-N -1 3 356.769 3.080 20 0 FGADHM CC(=O)c1cccc(C(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000824030222 609615320 /nfs/dbraw/zinc/61/53/20/609615320.db2.gz ZWJGHNPCTGKGCM-UHFFFAOYSA-N -1 3 356.769 3.080 20 0 FGADHM O=C(COC(=O)c1cc(Cl)c(Cl)[n-]1)c1ccc2c(c1)OCCO2 ZINC000011809223 695602431 /nfs/dbraw/zinc/60/24/31/695602431.db2.gz VYGVKLJJVWIAJC-UHFFFAOYSA-N -1 3 356.161 3.132 20 0 FGADHM C[C@H](Oc1ccccc1F)C(=O)N[N-]C(=O)c1cc(Cl)ccc1Cl ZINC000018054411 695635847 /nfs/dbraw/zinc/63/58/47/695635847.db2.gz QHRGXHMSVNMMGY-VIFPVBQESA-N -1 3 371.195 3.361 20 0 FGADHM C[C@@H](OC(=O)c1ccc([O-])cc1)C(=O)Nc1ccccc1Br ZINC000022474760 695653725 /nfs/dbraw/zinc/65/37/25/695653725.db2.gz BHIMSNSQNVGDEC-SNVBAGLBSA-N -1 3 364.195 3.339 20 0 FGADHM CC(C)Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)CO3)cc1 ZINC000032083527 695742001 /nfs/dbraw/zinc/74/20/01/695742001.db2.gz QCHUMEPBDBIYTB-UHFFFAOYSA-N -1 3 360.435 3.017 20 0 FGADHM O=S(=O)([N-]Cc1ccc(Br)s1)c1cccnc1Cl ZINC000038110310 695756099 /nfs/dbraw/zinc/75/60/99/695756099.db2.gz LCFUUDXNIYQXOU-UHFFFAOYSA-N -1 3 367.677 3.038 20 0 FGADHM O=C(NN=C1CCN(Cc2ccccc2Cl)CC1)c1ccc([O-])cc1 ZINC000043910938 695798639 /nfs/dbraw/zinc/79/86/39/695798639.db2.gz AUTUVLWOUVMLHZ-UHFFFAOYSA-N -1 3 357.841 3.427 20 0 FGADHM O=S(=O)([N-][C@@H]1COc2ccccc2C1)c1c(Cl)cccc1Cl ZINC000045814578 695827236 /nfs/dbraw/zinc/82/72/36/695827236.db2.gz ASYVIRJPYJMSLK-NSHDSACASA-N -1 3 358.246 3.275 20 0 FGADHM CC(C)CCN(C)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000045926584 695828953 /nfs/dbraw/zinc/82/89/53/695828953.db2.gz QAXOTWNXDQNQQX-UHFFFAOYSA-N -1 3 358.479 3.021 20 0 FGADHM Cc1cccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)c1C ZINC000046113803 695832792 /nfs/dbraw/zinc/83/27/92/695832792.db2.gz HAKANAVAWSHPQA-UHFFFAOYSA-N -1 3 364.442 3.382 20 0 FGADHM CC(C)CC[C@H](C)NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000046122302 695833100 /nfs/dbraw/zinc/83/31/00/695833100.db2.gz RJYGKMZBIXQDJF-ZDUSSCGKSA-N -1 3 358.479 3.067 20 0 FGADHM Cc1sc2[n-]c(CS(=O)(=O)c3ccc(Cl)cc3)nc(=O)c2c1C ZINC000046703201 695845304 /nfs/dbraw/zinc/84/53/04/695845304.db2.gz HITPXNIATQHPEW-UHFFFAOYSA-N -1 3 368.867 3.229 20 0 FGADHM C[C@](O)(C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)c1ccccc1 ZINC000070961625 695956732 /nfs/dbraw/zinc/95/67/32/695956732.db2.gz NRJIDGRPWSNHED-HNNXBMFYSA-N -1 3 360.262 3.179 20 0 FGADHM O=C(CCc1cccc(Br)c1)Nc1n[n-]c(-c2ccco2)n1 ZINC000073755736 695972375 /nfs/dbraw/zinc/97/23/75/695972375.db2.gz HBMUAAVTSSZZBB-UHFFFAOYSA-N -1 3 361.199 3.399 20 0 FGADHM C[C@@H]1CC[C@H](C)N(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)C1 ZINC000075291626 700207377 /nfs/dbraw/zinc/20/73/77/700207377.db2.gz JBYHMUVHIRHCJX-OLZOCXBDSA-N -1 3 370.490 3.163 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]c2ccc(N3CCOC3=O)cc2)cc(C)c1F ZINC000078239234 700274972 /nfs/dbraw/zinc/27/49/72/700274972.db2.gz AQVXGTLYTZNISQ-UHFFFAOYSA-N -1 3 364.398 3.200 20 0 FGADHM CC[C@H]1CCCC[C@H]1NC(=O)N[N-]C(=O)c1ccccc1Br ZINC000079542165 700301262 /nfs/dbraw/zinc/30/12/62/700301262.db2.gz DINOUWCAEPMWOE-SMDDNHRTSA-N -1 3 368.275 3.362 20 0 FGADHM C[C@H](Cc1ccsc1)[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000081673265 700338902 /nfs/dbraw/zinc/33/89/02/700338902.db2.gz VIAIZDAFKRWUPN-MRVPVSSYSA-N -1 3 351.280 3.359 20 0 FGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)/C=C/SCc1ccco1 ZINC000084921666 700364915 /nfs/dbraw/zinc/36/49/15/700364915.db2.gz PYHDIUNDMQGBTO-CSKARUKUSA-N -1 3 352.437 3.037 20 0 FGADHM CSCc1cc(F)ccc1CNC(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC000088204620 700376902 /nfs/dbraw/zinc/37/69/02/700376902.db2.gz KFISQCLJRWWPNS-UHFFFAOYSA-N -1 3 363.458 3.134 20 0 FGADHM Cc1cc(Cl)ccc1NC(=O)CO[N-]C(=O)CCOc1ccccc1 ZINC000109744292 700536615 /nfs/dbraw/zinc/53/66/15/700536615.db2.gz LKWAKDMJZQUZOF-UHFFFAOYSA-N -1 3 362.813 3.104 20 0 FGADHM O=C(c1nnc2ccccc2c1[O-])N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000111650750 700550341 /nfs/dbraw/zinc/55/03/41/700550341.db2.gz HURZDIUBRQJVME-CYBMUJFWSA-N -1 3 353.809 3.206 20 0 FGADHM CC[C@@H]([N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)c1c(C)noc1C ZINC000119378559 700627649 /nfs/dbraw/zinc/62/76/49/700627649.db2.gz IQHHLGFAVIKQNV-LLVKDONJSA-N -1 3 364.254 3.423 20 0 FGADHM Cc1cc(F)c(S(=O)(=O)[N-][C@@H](C)C[C@@H](O)c2ccccc2)cc1F ZINC000122746045 700695018 /nfs/dbraw/zinc/69/50/18/700695018.db2.gz CQUXJOJDEGZRTF-BLLLJJGKSA-N -1 3 355.406 3.064 20 0 FGADHM COc1ccc(NC[C@H](C)c2ccc(F)cc2)cc1[N-]S(C)(=O)=O ZINC000128080951 700770647 /nfs/dbraw/zinc/77/06/47/700770647.db2.gz NKSMESOHZLJLRD-LBPRGKRZSA-N -1 3 352.431 3.421 20 0 FGADHM O=C(Nc1cc(Cl)ccc1[O-])[C@H]1CCCC[C@@H]1C(=O)N1CCCC1 ZINC000129444813 700788171 /nfs/dbraw/zinc/78/81/71/700788171.db2.gz ZFPWVAJCEICRBZ-KBPBESRZSA-N -1 3 350.846 3.413 20 0 FGADHM O=C(Nc1cc(Cl)ccc1[O-])[C@H]1CCCC[C@H]1C(=O)N1CCCC1 ZINC000129445228 700788178 /nfs/dbraw/zinc/78/81/78/700788178.db2.gz ZFPWVAJCEICRBZ-UONOGXRCSA-N -1 3 350.846 3.413 20 0 FGADHM Cc1ccc(-n2c(Cl)c(C=Cc3nccc(=O)[n-]3)nc2N(C)C)cc1 ZINC000131769216 700819617 /nfs/dbraw/zinc/81/96/17/700819617.db2.gz LXWVFEQQKSNGRC-CMDGGOBGSA-N -1 3 355.829 3.154 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)NC[C@H](O)c1c(Cl)cccc1Cl ZINC000155415648 705076369 /nfs/dbraw/zinc/07/63/69/705076369.db2.gz UZAIEOYXLJFOFG-AWEZNQCLSA-N -1 3 373.211 3.371 20 0 FGADHM COc1ccc(NCc2ccc3ncccc3c2)cc1[N-]S(C)(=O)=O ZINC000158968310 705205717 /nfs/dbraw/zinc/20/57/17/705205717.db2.gz AXIZOXGHTWYPHY-UHFFFAOYSA-N -1 3 357.435 3.227 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)NNc2c(Cl)cccc2Cl)c1 ZINC000159944466 705238591 /nfs/dbraw/zinc/23/85/91/705238591.db2.gz FVVICIXBSOBHAV-UHFFFAOYSA-N -1 3 354.193 3.414 20 0 FGADHM C[C@@](O)(C[N-]S(=O)(=O)Cc1c(Cl)cccc1Cl)c1ccccc1 ZINC000162019242 705287551 /nfs/dbraw/zinc/28/75/51/705287551.db2.gz YYTRKBZBCVJWEW-MRXNPFEDSA-N -1 3 374.289 3.321 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)NC[C@@H](O)c1ccc(Cl)cc1Cl ZINC000163699793 705318807 /nfs/dbraw/zinc/31/88/07/705318807.db2.gz JELSOIDTJCOZBN-OAHLLOKOSA-N -1 3 373.211 3.371 20 0 FGADHM C[C@@H](C[C@@H](O)c1ccccc1)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000163824883 705320504 /nfs/dbraw/zinc/32/05/04/705320504.db2.gz XMNBDBRUBGWQTL-XHDPSFHLSA-N -1 3 357.834 3.270 20 0 FGADHM COc1ccc(C(=O)NCc2ccc(Br)cc2F)c([O-])c1 ZINC000166966432 705346500 /nfs/dbraw/zinc/34/65/00/705346500.db2.gz YBTCEXFXKMSNNW-UHFFFAOYSA-N -1 3 354.175 3.232 20 0 FGADHM Cc1cc(S(=O)(=O)[N-][C@H](C)[C@@H]2COc3ccccc32)c(F)cc1F ZINC000167520487 705347894 /nfs/dbraw/zinc/34/78/94/705347894.db2.gz JQRGWTWLNRYFCV-YPMHNXCESA-N -1 3 353.390 3.116 20 0 FGADHM C[C@H](CC(=O)c1ccccc1)[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000179494501 705703321 /nfs/dbraw/zinc/70/33/21/705703321.db2.gz DSXVUHUSTBLDKZ-SNVBAGLBSA-N -1 3 373.261 3.328 20 0 FGADHM CCOc1cc(Cl)ccc1C(=O)[N-]n1c(C)nc2sccc2c1=O ZINC000182494562 705846248 /nfs/dbraw/zinc/84/62/48/705846248.db2.gz RMOMQSPPFWXNQO-UHFFFAOYSA-N -1 3 363.826 3.202 20 0 FGADHM COc1ccc(N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1[N-]S(C)(=O)=O ZINC000182731792 705858798 /nfs/dbraw/zinc/85/87/98/705858798.db2.gz UYRJDZQKHZMCKP-NSHDSACASA-N -1 3 365.411 3.148 20 0 FGADHM CN(CCOc1ccccc1C(=O)[O-])Cc1ccc(OC(F)F)cc1 ZINC000183910759 705909953 /nfs/dbraw/zinc/90/99/53/705909953.db2.gz KSCKUNGLCJWCLV-UHFFFAOYSA-N -1 3 351.349 3.497 20 0 FGADHM CCC[C@@H]1CCCCN1C(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000183908851 705910070 /nfs/dbraw/zinc/91/00/70/705910070.db2.gz BPOSKVANCYIVTG-OAHLLOKOSA-N -1 3 368.474 3.061 20 0 FGADHM CCOCCO[N-]C(=O)CCc1nc2cc(Br)ccc2s1 ZINC000184815167 712676700 /nfs/dbraw/zinc/67/67/00/712676700.db2.gz QCQZOISZGUWKSK-UHFFFAOYSA-N -1 3 373.272 3.076 20 0 FGADHM O=C(Nc1ccc(Cl)cc1C(=O)N1CCCC1)c1cccc(O)c1[O-] ZINC000188343126 712768071 /nfs/dbraw/zinc/76/80/71/712768071.db2.gz RQXKEZIVPLBDHB-UHFFFAOYSA-N -1 3 360.797 3.240 20 0 FGADHM Cc1cc(F)c(Br)cc1S(=O)(=O)[N-]c1ccc(O)cc1 ZINC000189225208 712789573 /nfs/dbraw/zinc/78/95/73/712789573.db2.gz HBJWIMWSYBWNDB-UHFFFAOYSA-N -1 3 360.204 3.403 20 0 FGADHM O=S(=O)([N-][C@@H]1C[C@H]2OCCC[C@H]12)c1ccc(Cl)cc1C(F)(F)F ZINC000190626152 712818412 /nfs/dbraw/zinc/81/84/12/712818412.db2.gz KUPAAKCISQJMKG-YUSALJHKSA-N -1 3 369.792 3.205 20 0 FGADHM Cc1noc([N-]C(=O)c2cc3c(C)nn(Cc4ccccc4)c3s2)n1 ZINC000193792757 713499278 /nfs/dbraw/zinc/49/92/78/713499278.db2.gz WINAVBFTRFPSRN-UHFFFAOYSA-N -1 3 353.407 3.398 20 0 FGADHM O=S(=O)(/C=C\c1ccc(F)cc1)[N-]c1ccccc1O[C@@H]1CCOC1 ZINC000255273584 713688757 /nfs/dbraw/zinc/68/87/57/713688757.db2.gz BOAKJHDPDZYSTB-UILAEWCASA-N -1 3 363.410 3.406 20 0 FGADHM COCCOc1ccccc1[N-]S(=O)(=O)/C=C\c1ccc(F)cc1 ZINC000255619104 713702054 /nfs/dbraw/zinc/70/20/54/713702054.db2.gz RXXWQWHQLKKFLC-RAXLEYEMSA-N -1 3 351.399 3.264 20 0 FGADHM CCCCn1ncc([N-]S(=O)(=O)[C@H]2C[C@H]2c2cccc(F)c2)c1C ZINC000641685486 717920598 /nfs/dbraw/zinc/92/05/98/717920598.db2.gz IWTSOTNQYONWFP-RDJZCZTQSA-N -1 3 351.447 3.429 20 0 FGADHM O=S(=O)(CCc1cccs1)[N-]c1nn(CC(F)(F)F)cc1Cl ZINC000641693388 717921800 /nfs/dbraw/zinc/92/18/00/717921800.db2.gz XVLTWMGRAJQXBM-UHFFFAOYSA-N -1 3 373.809 3.145 20 0 FGADHM COC(C)(C)CS(=O)(=O)[N-]c1cccc(-c2nnsc2Cl)c1 ZINC000641696363 717922132 /nfs/dbraw/zinc/92/21/32/717922132.db2.gz WLOBBANBRWDAOM-UHFFFAOYSA-N -1 3 361.876 3.025 20 0 FGADHM CCC(C)(CC)NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000303572026 713786752 /nfs/dbraw/zinc/78/67/52/713786752.db2.gz YRGPUBAINGJGFH-UHFFFAOYSA-N -1 3 358.479 3.211 20 0 FGADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@@H](C)c1ccc(C)s1 ZINC000322594891 713813386 /nfs/dbraw/zinc/81/33/86/713813386.db2.gz HAUVTLDTKMCVDX-JTQLQIEISA-N -1 3 357.428 3.022 20 0 FGADHM O=c1nc(CN2CCCC[C@H](CO)C2)[n-]c2scc(-c3ccco3)c21 ZINC000374035223 713895079 /nfs/dbraw/zinc/89/50/79/713895079.db2.gz CAZZDXAKODDIHW-LBPRGKRZSA-N -1 3 359.451 3.251 20 0 FGADHM CCCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2cccn2C)c1 ZINC000414383931 714004323 /nfs/dbraw/zinc/00/43/23/714004323.db2.gz RSRHWYRHRRQPLG-UHFFFAOYSA-N -1 3 355.847 3.218 20 0 FGADHM O=S(=O)([N-]C[C@H]1CCCC(F)(F)C1)c1ccc(C(F)(F)F)cn1 ZINC000499678637 714109081 /nfs/dbraw/zinc/10/90/81/714109081.db2.gz RWAWQRFXNOLZQN-VIFPVBQESA-N -1 3 358.332 3.204 20 0 FGADHM Cc1nn(C)c(C)c1CCC(=O)Nc1ccc(Br)cc1[O-] ZINC000642323722 717966579 /nfs/dbraw/zinc/96/65/79/717966579.db2.gz MRJSGPRZFPBVMY-UHFFFAOYSA-N -1 3 352.232 3.076 20 0 FGADHM CC(C)c1nnc(C[S@@](=O)Cc2cc(=O)[n-]c(-c3ccccc3)n2)s1 ZINC000574906122 714454566 /nfs/dbraw/zinc/45/45/66/714454566.db2.gz VKDITHAAIMUIDT-VWLOTQADSA-N -1 3 374.491 3.273 20 0 FGADHM CCOC(=O)C1CCC(NC(=O)CCCc2ccc([O-])c(F)c2)CC1 ZINC000615719027 714545930 /nfs/dbraw/zinc/54/59/30/714545930.db2.gz RSWLIXUCZLSFPB-UHFFFAOYSA-N -1 3 351.418 3.092 20 0 FGADHM CCN(C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)C(C)C ZINC000617245207 714640119 /nfs/dbraw/zinc/64/01/19/714640119.db2.gz CLGPNJINUKOHQN-UHFFFAOYSA-N -1 3 364.442 3.497 20 0 FGADHM CCOC(=O)c1ncc(NC(=O)c2cc(Cl)ccc2OC(C)C)[n-]1 ZINC000617872051 714698558 /nfs/dbraw/zinc/69/85/58/714698558.db2.gz LWGLQDALXPMEBR-UHFFFAOYSA-N -1 3 351.790 3.279 20 0 FGADHM CCOC(=O)c1nc(NC(=O)c2cc(Cl)ccc2OC(C)C)c[n-]1 ZINC000617872051 714698560 /nfs/dbraw/zinc/69/85/60/714698560.db2.gz LWGLQDALXPMEBR-UHFFFAOYSA-N -1 3 351.790 3.279 20 0 FGADHM C[S@@](=O)c1ccc(CC(=O)N=c2cc(-c3cccc(Cl)c3)[n-][nH]2)cc1 ZINC000619564129 714853719 /nfs/dbraw/zinc/85/37/19/714853719.db2.gz XXHWOIWUGIJBQQ-RUZDIDTESA-N -1 3 373.865 3.071 20 0 FGADHM O=S(=O)([N-]CC[C@@H]1CC1(F)F)c1ccc(Cl)cc1Br ZINC000621305442 714979904 /nfs/dbraw/zinc/97/99/04/714979904.db2.gz YZBCPXWBRRNRKI-SSDOTTSWSA-N -1 3 374.634 3.426 20 0 FGADHM COc1ccccc1-c1cc(=NC(=O)COc2ccc(Cl)cc2)[nH][n-]1 ZINC000621529537 715000858 /nfs/dbraw/zinc/00/08/58/715000858.db2.gz PMONTXIBARIBEQ-UHFFFAOYSA-N -1 3 357.797 3.178 20 0 FGADHM COCCN(Cc1cccnc1)C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621915152 715036071 /nfs/dbraw/zinc/03/60/71/715036071.db2.gz SSVRCCKORKOUIP-UHFFFAOYSA-N -1 3 354.328 3.095 20 0 FGADHM Cc1nc(C)c(CCC(=O)NCc2cc(Cl)cc(Cl)c2)c(=O)[n-]1 ZINC000622133561 715055146 /nfs/dbraw/zinc/05/51/46/715055146.db2.gz CQWKLAUBMWIULY-UHFFFAOYSA-N -1 3 354.237 3.355 20 0 FGADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)Cc2cccc(Cl)c2Cl)n1 ZINC000622739348 715087319 /nfs/dbraw/zinc/08/73/19/715087319.db2.gz FZICDHAINRJPKD-UHFFFAOYSA-N -1 3 354.237 3.391 20 0 FGADHM Cc1noc2ncc(C(=O)N=c3cc(-c4cccc(Cl)c4)[n-][nH]3)cc12 ZINC000622893544 715104082 /nfs/dbraw/zinc/10/40/82/715104082.db2.gz POUDPSIMDWHRFU-UHFFFAOYSA-N -1 3 353.769 3.249 20 0 FGADHM CC(C)(c1nnc([N-]C(=O)c2cn(C3CC3)nn2)s1)c1ccccc1 ZINC000625335012 715708053 /nfs/dbraw/zinc/70/80/53/715708053.db2.gz VGNJSHFYLCPWKI-UHFFFAOYSA-N -1 3 354.439 3.043 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-][C@H](CCO)c2cc(Cl)cc(Cl)c2)o1 ZINC000625627658 715761326 /nfs/dbraw/zinc/76/13/26/715761326.db2.gz PGQZJUGHIYMRAI-CYBMUJFWSA-N -1 3 364.250 3.297 20 0 FGADHM Cc1ncc(S(=O)(=O)[N-]Cc2ccccc2CC(F)(F)F)s1 ZINC000625665023 715770502 /nfs/dbraw/zinc/77/05/02/715770502.db2.gz PWHKJCXMXGJXSE-UHFFFAOYSA-N -1 3 350.387 3.035 20 0 FGADHM CCOCCC1(CNC(=O)c2cc([O-])cc(Br)c2)CCC1 ZINC000626156987 715861647 /nfs/dbraw/zinc/86/16/47/715861647.db2.gz BDWGVJPVIRGSKG-UHFFFAOYSA-N -1 3 356.260 3.481 20 0 FGADHM Cc1cccc([O-])c1C(=O)N(Cc1ccccc1)C[C@H](O)C(F)(F)F ZINC000626407022 715900927 /nfs/dbraw/zinc/90/09/27/715900927.db2.gz JCYAKNSNSIIYJT-HNNXBMFYSA-N -1 3 353.340 3.266 20 0 FGADHM CC(C)[C@@H](CNC(=O)c1cc([O-])cc(Br)c1)c1ccnn1C ZINC000626628293 715941948 /nfs/dbraw/zinc/94/19/48/715941948.db2.gz MAVLDFGGJFJIFW-CQSZACIVSA-N -1 3 366.259 3.058 20 0 FGADHM C[S@](=O)C[C@@H]([N-]C(=O)C(F)(F)c1c(F)cccc1F)c1ccccc1 ZINC000757033413 722973522 /nfs/dbraw/zinc/97/35/22/722973522.db2.gz ZOEFVNDYPMQTLY-PWECECGKSA-N -1 3 373.371 3.293 20 0 FGADHM O=C(N[C@H](C1CC1)[C@@H]1CCCCO1)c1cc([O-])cc(Br)c1 ZINC000628014664 716097806 /nfs/dbraw/zinc/09/78/06/716097806.db2.gz XIUQHBZUFLMREC-LSDHHAIUSA-N -1 3 354.244 3.232 20 0 FGADHM C[C@H]1COC2(CCCC2)CN1C(=O)c1cc([O-])cc(Br)c1 ZINC000628132818 716113570 /nfs/dbraw/zinc/11/35/70/716113570.db2.gz PBOZYEMUHIZCKE-NSHDSACASA-N -1 3 354.244 3.328 20 0 FGADHM CO[C@H](C[N-]S(=O)(=O)c1cc(C(C)C)ccc1Cl)C(F)(F)F ZINC000790190394 723112654 /nfs/dbraw/zinc/11/26/54/723112654.db2.gz JKDWAVMULMLMDD-GFCCVEGCSA-N -1 3 359.797 3.319 20 0 FGADHM O=C(c1c[n-]c2c(Cl)cc(Br)cc2c1=O)N1C[C@@H]2C[C@@H]2C1 ZINC000628515746 716162623 /nfs/dbraw/zinc/16/26/23/716162623.db2.gz NPBSHCGLZBUZLL-OCAPTIKFSA-N -1 3 367.630 3.036 20 0 FGADHM CCO[C@H](CSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)C1CC1 ZINC000629083871 716208440 /nfs/dbraw/zinc/20/84/40/716208440.db2.gz NUYPARLXJLTYQK-OAHLLOKOSA-N -1 3 356.451 3.428 20 0 FGADHM Cn1ncc2c1nc(SCCOc1ccc(C(F)(F)F)cc1)[n-]c2=O ZINC000629217973 716238092 /nfs/dbraw/zinc/23/80/92/716238092.db2.gz HZAIVEYWSFDDAH-UHFFFAOYSA-N -1 3 370.356 3.259 20 0 FGADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(F)c2F)c(CN(C)C)c1 ZINC000629349774 716271612 /nfs/dbraw/zinc/27/16/12/716271612.db2.gz XCQYSUSSEXRKQB-UHFFFAOYSA-N -1 3 354.422 3.444 20 0 FGADHM CCOc1ccc(C(C)=O)cc1CS(=O)(=O)c1nc(C(C)C)c[n-]1 ZINC000630432232 716449618 /nfs/dbraw/zinc/44/96/18/716449618.db2.gz KCFYOJHNVHORFM-UHFFFAOYSA-N -1 3 350.440 3.108 20 0 FGADHM CC(C)c1c[n-]c(S(=O)(=O)Cc2coc(-c3c(F)cccc3F)n2)n1 ZINC000630432980 716450414 /nfs/dbraw/zinc/45/04/14/716450414.db2.gz XNUGMCBSKIEUKZ-UHFFFAOYSA-N -1 3 367.377 3.440 20 0 FGADHM Cc1nc(C(F)(F)F)c(CS(=O)(=O)c2nc(C(C)C)c[n-]2)s1 ZINC000630432270 716450421 /nfs/dbraw/zinc/45/04/21/716450421.db2.gz LABSCWJGONINID-UHFFFAOYSA-N -1 3 353.391 3.291 20 0 FGADHM Cc1cc(C(F)(F)F)n2nc(C(=O)[N-]c3nnc(C4CC4)s3)cc2n1 ZINC000630773969 716504729 /nfs/dbraw/zinc/50/47/29/716504729.db2.gz DHLKCHHUSZCERG-UHFFFAOYSA-N -1 3 368.344 3.038 20 0 FGADHM Cc1nc(-c2ccc(NC(=O)N3CC[C@H]3C(F)(F)F)cc2)cc(=O)[n-]1 ZINC000631470423 716625778 /nfs/dbraw/zinc/62/57/78/716625778.db2.gz WCHKNLUKZCVHIY-ZDUSSCGKSA-N -1 3 352.316 3.326 20 0 FGADHM CC(C)COc1ccc(C(C)(C)[N-]S(=O)(=O)c2c[nH]c(=O)s2)cc1 ZINC000631918022 716697735 /nfs/dbraw/zinc/69/77/35/716697735.db2.gz RPXYAAHIJZXQRC-UHFFFAOYSA-N -1 3 370.496 3.097 20 0 FGADHM COC[C@H]([N-]S(=O)(=O)C[C@H]1CCCC(F)(F)C1)c1ccc(C)o1 ZINC000632059165 716714344 /nfs/dbraw/zinc/71/43/44/716714344.db2.gz CJVZZPQIVAOHDM-STQMWFEESA-N -1 3 351.415 3.020 20 0 FGADHM CC(C)n1cc(C[N-]S(=O)(=O)c2sc3ccccc3c2Cl)nn1 ZINC000632527266 716785646 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CC[C@H]1CCCCN1C(=O)COC(=O)c1cccc(Br)c1[O-] ZINC000730364806 722467833 /nfs/dbraw/zinc/46/78/33/722467833.db2.gz OTFHTBODFBDIHQ-NSHDSACASA-N -1 3 370.243 3.103 20 0 FGADHM CCCCC[C@@H](C)NC(=O)COC(=O)c1cccc(Br)c1[O-] ZINC000730367307 722467947 /nfs/dbraw/zinc/46/79/47/722467947.db2.gz IYTYMODIFJOPQI-LLVKDONJSA-N -1 3 372.259 3.397 20 0 FGADHM O=C([N-][C@H]1CCN(c2ccccc2)C1=O)C(F)(F)c1cccc(Cl)c1 ZINC000731589405 722476684 /nfs/dbraw/zinc/47/66/84/722476684.db2.gz VKCJFGNSOOWACV-HNNXBMFYSA-N -1 3 364.779 3.354 20 0 FGADHM Cc1[n-]ncc1S(=O)(=O)Oc1ccc2cc(Br)ccc2c1 ZINC000732215417 722482517 /nfs/dbraw/zinc/48/25/17/722482517.db2.gz PERYBGOEYQOQBL-UHFFFAOYSA-N -1 3 367.224 3.402 20 0 FGADHM O=C(O[C@H]1CCN(c2ccccc2F)C1=O)c1cc(Cl)c(Cl)[n-]1 ZINC000732842513 722489273 /nfs/dbraw/zinc/48/92/73/722489273.db2.gz MDEJDJBUHRZROT-LBPRGKRZSA-N -1 3 357.168 3.423 20 0 FGADHM C[C@@](O)(C[N-]C(=O)C(F)(F)c1ccc(F)cc1)c1ccc(F)cc1F ZINC000734021859 722503468 /nfs/dbraw/zinc/50/34/68/722503468.db2.gz 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723322828 /nfs/dbraw/zinc/32/28/28/723322828.db2.gz XZKPCLJUSNOMNL-UHFFFAOYSA-N -1 3 363.483 3.062 20 0 FGADHM Cc1cc(=O)[n-]c(CS[C@@H]2CCCN(c3ccc(F)cc3C)C2=O)n1 ZINC000763214838 723323021 /nfs/dbraw/zinc/32/30/21/723323021.db2.gz FSQVPQMBKHOPRU-OAHLLOKOSA-N -1 3 361.442 3.367 20 0 FGADHM O=C([N-]n1cnc2sc3c(c2c1=O)CCCC3)c1cc2[nH]ccc2s1 ZINC000792876380 723376500 /nfs/dbraw/zinc/37/65/00/723376500.db2.gz OJIMJIIMNLWWSS-UHFFFAOYSA-N -1 3 370.459 3.264 20 0 FGADHM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(C)cnc2Cl)c(C)cc1F ZINC000794033538 723485442 /nfs/dbraw/zinc/48/54/42/723485442.db2.gz NMUZCYOIOFLJRZ-UHFFFAOYSA-N -1 3 372.805 3.078 20 0 FGADHM CSCCO[N-]C(=O)[C@@H]1CCCCCC[C@H]1NC(=O)OC(C)(C)C ZINC000794189868 723496632 /nfs/dbraw/zinc/49/66/32/723496632.db2.gz KPQQVDDCXRZOJZ-ZIAGYGMSSA-N -1 3 360.520 3.261 20 0 FGADHM O=c1cc(CN2CCC[C@@H]([C@H]3CCOC3)C2)c2cc(Cl)c([O-])cc2o1 ZINC000794562227 723531618 /nfs/dbraw/zinc/53/16/18/723531618.db2.gz ZUTURAFJOQOEKN-OLZOCXBDSA-N -1 3 363.841 3.401 20 0 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ZINC000824227957 729325816 /nfs/dbraw/zinc/32/58/16/729325816.db2.gz CKHYXMUTZLGAMP-QMTHXVAHSA-N -1 3 366.263 3.102 20 0 FGADHM C[C@H](Cc1cccc(Br)c1)Nc1cnccc1-c1nnn[n-]1 ZINC000824457331 729340358 /nfs/dbraw/zinc/34/03/58/729340358.db2.gz JZXCATUMAOFUJM-SNVBAGLBSA-N -1 3 359.231 3.067 20 0 FGADHM C[C@H](Cc1cccc(Br)c1)Nc1cnccc1-c1nn[n-]n1 ZINC000824457331 729340361 /nfs/dbraw/zinc/34/03/61/729340361.db2.gz JZXCATUMAOFUJM-SNVBAGLBSA-N -1 3 359.231 3.067 20 0 FGADHM C[C@@H](Cc1cccc(Br)c1)Nc1cnccc1-c1nnn[n-]1 ZINC000824457330 729340429 /nfs/dbraw/zinc/34/04/29/729340429.db2.gz JZXCATUMAOFUJM-JTQLQIEISA-N -1 3 359.231 3.067 20 0 FGADHM C[C@@H](Cc1cccc(Br)c1)Nc1cnccc1-c1nn[n-]n1 ZINC000824457330 729340430 /nfs/dbraw/zinc/34/04/30/729340430.db2.gz JZXCATUMAOFUJM-JTQLQIEISA-N -1 3 359.231 3.067 20 0 FGADHM CC(C)(C)OC(=O)Nc1ncc(CCC(=O)[N-]OCC2CCC2)s1 ZINC000824736050 729357249 /nfs/dbraw/zinc/35/72/49/729357249.db2.gz LVXLBFCCUGPNNW-UHFFFAOYSA-N -1 3 355.460 3.271 20 0 FGADHM C[C@@H]1CN(c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)[C@H]2CCCC[C@H]12 ZINC000825000599 729367310 /nfs/dbraw/zinc/36/73/10/729367310.db2.gz SVWKQLQTXKRMRF-FOGDFJRCSA-N -1 3 352.364 3.295 20 0 FGADHM C[C@@H]1CN(c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)[C@H]2CCCC[C@H]12 ZINC000825000599 729367313 /nfs/dbraw/zinc/36/73/13/729367313.db2.gz SVWKQLQTXKRMRF-FOGDFJRCSA-N -1 3 352.364 3.295 20 0 FGADHM O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)c1cccnc1SC(F)F ZINC000825298496 729377638 /nfs/dbraw/zinc/37/76/38/729377638.db2.gz RZBCMSASZXFNGH-UHFFFAOYSA-N -1 3 366.393 3.089 20 0 FGADHM CCc1nc(CSc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)no1 ZINC000825746129 729393934 /nfs/dbraw/zinc/39/39/34/729393934.db2.gz SDEDBNZZYRFEGJ-UHFFFAOYSA-N -1 3 356.333 3.123 20 0 FGADHM CCc1nc(CSc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)no1 ZINC000825746129 729393935 /nfs/dbraw/zinc/39/39/35/729393935.db2.gz SDEDBNZZYRFEGJ-UHFFFAOYSA-N -1 3 356.333 3.123 20 0 FGADHM CCc1cc(C[N-]C(=O)C(F)(F)c2ccccc2Br)on1 ZINC000826037890 729403360 /nfs/dbraw/zinc/40/33/60/729403360.db2.gz WTMSSATZZURPKB-UHFFFAOYSA-N -1 3 359.170 3.408 20 0 FGADHM COc1ccc(CNc2nc3ccc(F)cc3s2)cc1-c1nnn[n-]1 ZINC000826204592 729406192 /nfs/dbraw/zinc/40/61/92/729406192.db2.gz RAERIROOPABRHU-UHFFFAOYSA-N -1 3 356.386 3.236 20 0 FGADHM COc1ccc(CNc2nc3ccc(F)cc3s2)cc1-c1nn[n-]n1 ZINC000826204592 729406194 /nfs/dbraw/zinc/40/61/94/729406194.db2.gz RAERIROOPABRHU-UHFFFAOYSA-N -1 3 356.386 3.236 20 0 FGADHM Cc1c(Cl)cnc(N[C@@H](C)COCc2ccccc2)c1-c1nnn[n-]1 ZINC000826238545 729406295 /nfs/dbraw/zinc/40/62/95/729406295.db2.gz JCTSJFGPXCLRTR-NSHDSACASA-N -1 3 358.833 3.241 20 0 FGADHM Cc1c(Cl)cnc(N[C@@H](C)COCc2ccccc2)c1-c1nn[n-]n1 ZINC000826238545 729406297 /nfs/dbraw/zinc/40/62/97/729406297.db2.gz JCTSJFGPXCLRTR-NSHDSACASA-N -1 3 358.833 3.241 20 0 FGADHM C[C@@H](OC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1ccc(C(F)(F)F)cc1 ZINC000826232081 729406446 /nfs/dbraw/zinc/40/64/46/729406446.db2.gz KRVHUPDFNBWYQN-MRVPVSSYSA-N -1 3 351.288 3.132 20 0 FGADHM C[C@@H](OC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccc(C(F)(F)F)cc1 ZINC000826232081 729406447 /nfs/dbraw/zinc/40/64/47/729406447.db2.gz KRVHUPDFNBWYQN-MRVPVSSYSA-N -1 3 351.288 3.132 20 0 FGADHM Cc1c(NC(=O)[C@H]2CCc3c2cccc3Cl)cccc1-c1nnn[n-]1 ZINC000826241318 729406672 /nfs/dbraw/zinc/40/66/72/729406672.db2.gz YUJSCKMSCWJSJK-AWEZNQCLSA-N -1 3 353.813 3.497 20 0 FGADHM Cc1c(NC(=O)[C@H]2CCc3c2cccc3Cl)cccc1-c1nn[n-]n1 ZINC000826241318 729406673 /nfs/dbraw/zinc/40/66/73/729406673.db2.gz YUJSCKMSCWJSJK-AWEZNQCLSA-N -1 3 353.813 3.497 20 0 FGADHM Cc1cc(C)nc(Sc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)n1 ZINC000826265539 729406859 /nfs/dbraw/zinc/40/68/59/729406859.db2.gz DALVUAQPXCNACT-UHFFFAOYSA-N -1 3 352.345 3.444 20 0 FGADHM Cc1cc(C)nc(Sc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)n1 ZINC000826265539 729406860 /nfs/dbraw/zinc/40/68/60/729406860.db2.gz DALVUAQPXCNACT-UHFFFAOYSA-N -1 3 352.345 3.444 20 0 FGADHM Cc1ncsc1CNc1ccc(Br)cc1-c1nnn[n-]1 ZINC000826331643 729407468 /nfs/dbraw/zinc/40/74/68/729407468.db2.gz RWTMCNDEAUNAEB-UHFFFAOYSA-N -1 3 351.233 3.006 20 0 FGADHM Cc1ncsc1CNc1ccc(Br)cc1-c1nn[n-]n1 ZINC000826331643 729407469 /nfs/dbraw/zinc/40/74/69/729407469.db2.gz RWTMCNDEAUNAEB-UHFFFAOYSA-N -1 3 351.233 3.006 20 0 FGADHM O=C(Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1)c1ccsc1 ZINC000826458317 729408040 /nfs/dbraw/zinc/40/80/40/729408040.db2.gz LSUDXSPBZOYGMP-UHFFFAOYSA-N -1 3 371.813 3.020 20 0 FGADHM O=C(Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1)c1ccsc1 ZINC000826458317 729408041 /nfs/dbraw/zinc/40/80/41/729408041.db2.gz LSUDXSPBZOYGMP-UHFFFAOYSA-N -1 3 371.813 3.020 20 0 FGADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1Br)[C@@H]1CC=CCC1 ZINC000826464597 729408228 /nfs/dbraw/zinc/40/82/28/729408228.db2.gz DSSVIKDVMIAROJ-SNVBAGLBSA-N -1 3 363.215 3.029 20 0 FGADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1Br)[C@@H]1CC=CCC1 ZINC000826464597 729408230 /nfs/dbraw/zinc/40/82/30/729408230.db2.gz DSSVIKDVMIAROJ-SNVBAGLBSA-N -1 3 363.215 3.029 20 0 FGADHM Cc1ccc(NC(=O)c2[n-]cnc2C(F)(F)F)cc1C(=O)NC(C)C ZINC000826921946 729419125 /nfs/dbraw/zinc/41/91/25/729419125.db2.gz WANLDJYDICLVIC-UHFFFAOYSA-N -1 3 354.332 3.127 20 0 FGADHM Cc1ccc(NC(=O)c2nc[n-]c2C(F)(F)F)cc1C(=O)NC(C)C ZINC000826921946 729419127 /nfs/dbraw/zinc/41/91/27/729419127.db2.gz WANLDJYDICLVIC-UHFFFAOYSA-N -1 3 354.332 3.127 20 0 FGADHM O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)c1ccc(F)c(C(F)F)c1 ZINC000828210369 729441207 /nfs/dbraw/zinc/44/12/07/729441207.db2.gz QNHQIZDPCITMSE-UHFFFAOYSA-N -1 3 351.328 3.456 20 0 FGADHM O=C(CCCc1ccc([O-])c(F)c1)NCc1ncc(Br)s1 ZINC000829535259 729489303 /nfs/dbraw/zinc/48/93/03/729489303.db2.gz VNMOBZMDUGBPSD-UHFFFAOYSA-N -1 3 373.247 3.389 20 0 FGADHM CCc1cc(CC)c(S(=O)(=O)NN=c2nc(C)cc(C)[n-]2)c(CC)c1 ZINC000829601987 729494376 /nfs/dbraw/zinc/49/43/76/729494376.db2.gz LCEUYXCKVHOFAE-UHFFFAOYSA-N -1 3 362.499 3.086 20 0 FGADHM O=C(NCC1C[C@H]2CC[C@@H](C1)S2)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC000829933307 729523967 /nfs/dbraw/zinc/52/39/67/729523967.db2.gz IUGOSCVRCMDJOO-FGWVZKOKSA-N -1 3 364.417 3.210 20 0 FGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)[C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000832443413 729713697 /nfs/dbraw/zinc/71/36/97/729713697.db2.gz DDCUKUINTOXLCR-OLZOCXBDSA-N -1 3 352.360 3.099 20 0 FGADHM Cc1ccc([O-])c(NC(=O)c2cnn(C(C)(C)C)c2Br)n1 ZINC000834686644 729825516 /nfs/dbraw/zinc/82/55/16/729825516.db2.gz JDKWRZPSEMMUFF-UHFFFAOYSA-N -1 3 353.220 3.062 20 0 FGADHM CCNC(=O)Nc1cccc(NC(=O)c2[n-]cnc2C(F)(F)F)c1C ZINC000834708943 729827882 /nfs/dbraw/zinc/82/78/82/729827882.db2.gz FXPCRIIUUSPNPY-UHFFFAOYSA-N -1 3 355.320 3.131 20 0 FGADHM CCNC(=O)Nc1cccc(NC(=O)c2nc[n-]c2C(F)(F)F)c1C ZINC000834708943 729827885 /nfs/dbraw/zinc/82/78/85/729827885.db2.gz FXPCRIIUUSPNPY-UHFFFAOYSA-N -1 3 355.320 3.131 20 0 FGADHM CCC(F)(F)C(=O)[N-]Cc1nc(-c2cccc(Br)c2)no1 ZINC000834740697 729830191 /nfs/dbraw/zinc/83/01/91/729830191.db2.gz VNOCWRFTTLJMMC-UHFFFAOYSA-N -1 3 360.158 3.161 20 0 FGADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1ccc(Cl)c2ncccc12 ZINC000836261186 729950063 /nfs/dbraw/zinc/95/00/63/729950063.db2.gz XIVKWIMZLWDXAK-UHFFFAOYSA-N -1 3 351.790 3.283 20 0 FGADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1ccc(Cl)c2ncccc12 ZINC000836261186 729950064 /nfs/dbraw/zinc/95/00/64/729950064.db2.gz XIVKWIMZLWDXAK-UHFFFAOYSA-N -1 3 351.790 3.283 20 0 FGADHM CC(C)(C)OC(=O)NC[C@@H]1CC[C@H](NC(=O)c2cc([O-])ccc2Cl)C1 ZINC000837118865 729994674 /nfs/dbraw/zinc/99/46/74/729994674.db2.gz AGOSJMXOSBMYNB-NEPJUHHUSA-N -1 3 368.861 3.469 20 0 FGADHM Cc1ccc(COC(=O)Cc2c(C)nc(C)[n-]c2=O)c(Br)c1 ZINC000837428766 730029022 /nfs/dbraw/zinc/02/90/22/730029022.db2.gz KRHJWZYHBOXPNW-UHFFFAOYSA-N -1 3 365.227 3.156 20 0 FGADHM C[C@@H](C(=O)OCc1cc(=O)[n-]c(C2CC2)n1)[C@@H]1OCCc2sccc21 ZINC000837742263 730059564 /nfs/dbraw/zinc/05/95/64/730059564.db2.gz SELCFEPZSNQZSX-HWPZZCPQSA-N -1 3 360.435 3.114 20 0 FGADHM CC(C)(C)OC(=O)N[C@@H](CNCc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000841804818 730276525 /nfs/dbraw/zinc/27/65/25/730276525.db2.gz GCEXQKWZTDDGAQ-LBPRGKRZSA-N -1 3 363.241 3.061 20 0 FGADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1ccc2ccnc(Cl)c2c1 ZINC000841815389 730278183 /nfs/dbraw/zinc/27/81/83/730278183.db2.gz FNMOHWBZCSKHHD-UHFFFAOYSA-N -1 3 351.790 3.283 20 0 FGADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1ccc2ccnc(Cl)c2c1 ZINC000841815389 730278186 /nfs/dbraw/zinc/27/81/86/730278186.db2.gz FNMOHWBZCSKHHD-UHFFFAOYSA-N -1 3 351.790 3.283 20 0 FGADHM CN(Cc1cccc([O-])c1Br)C[C@]1(O)CCc2ccccc21 ZINC000843421897 730619083 /nfs/dbraw/zinc/61/90/83/730619083.db2.gz SDAUIEZIVLISMA-GOSISDBHSA-N -1 3 362.267 3.421 20 0 FGADHM O=S(=O)([N-]CCC[C@H]1CC1(Cl)Cl)c1cnc(Cl)c(F)c1 ZINC000846023004 730920584 /nfs/dbraw/zinc/92/05/84/730920584.db2.gz QFXMCYUFLZQQSJ-ZETCQYMHSA-N -1 3 361.653 3.126 20 0 FGADHM COc1ccc(CN2C[C@H]3CCC[C@]3(C(=O)[O-])C2)cc1Br ZINC000846285397 730943782 /nfs/dbraw/zinc/94/37/82/730943782.db2.gz SIVWGYHPUFLTGA-WBMJQRKESA-N -1 3 354.244 3.144 20 0 FGADHM O=S(=O)([N-][C@@H]1COC2(CCC2)C1)c1ccc(Cl)cc1C(F)(F)F ZINC000849449364 731260556 /nfs/dbraw/zinc/26/05/56/731260556.db2.gz DHSXBAQFTBTLMM-JTQLQIEISA-N -1 3 369.792 3.349 20 0 FGADHM O=C([O-])[C@H](c1ccccc1Br)N1CCC(c2cn[nH]c2)CC1 ZINC000851705912 731484596 /nfs/dbraw/zinc/48/45/96/731484596.db2.gz YRSCYUNOVOCUHR-HNNXBMFYSA-N -1 3 364.243 3.178 20 0 FGADHM COc1cccc(CN2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)c1Cl ZINC000852060702 731539831 /nfs/dbraw/zinc/53/98/31/731539831.db2.gz HHAPGEHJWRBFGQ-LLVKDONJSA-N -1 3 364.795 3.239 20 0 FGADHM CCN(C)C(=O)OC[C@H]1CCCCN1C(=O)c1cc(SC)ccc1[O-] ZINC000854454355 731830386 /nfs/dbraw/zinc/83/03/86/731830386.db2.gz KFCJOEKNPFPQMH-CYBMUJFWSA-N -1 3 366.483 3.197 20 0 FGADHM COC(=O)c1nc(NC(=O)c2[n-]cnc2C(F)(F)F)sc1C(C)C ZINC000854495653 731834758 /nfs/dbraw/zinc/83/47/58/731834758.db2.gz ZUHNCQLEGBTYPG-UHFFFAOYSA-N -1 3 362.333 3.047 20 0 FGADHM COC(=O)c1nc(NC(=O)c2nc[n-]c2C(F)(F)F)sc1C(C)C ZINC000854495653 731834765 /nfs/dbraw/zinc/83/47/65/731834765.db2.gz ZUHNCQLEGBTYPG-UHFFFAOYSA-N -1 3 362.333 3.047 20 0 FGADHM CSc1ccc([O-])c(C(=O)N[C@@H](C)[C@H](C)NC(=O)OC(C)(C)C)c1 ZINC000854748382 731858715 /nfs/dbraw/zinc/85/87/15/731858715.db2.gz KVGWGDQYUUWJFI-QWRGUYRKSA-N -1 3 354.472 3.146 20 0 FGADHM CC(C)(C)OC(=O)c1cncc(NC(=O)c2[n-]cnc2C(F)(F)F)c1 ZINC000855046925 731891780 /nfs/dbraw/zinc/89/17/80/731891780.db2.gz SJBVBIMIRUGDAV-UHFFFAOYSA-N -1 3 356.304 3.031 20 0 FGADHM CC(C)(C)OC(=O)c1cncc(NC(=O)c2nc[n-]c2C(F)(F)F)c1 ZINC000855046925 731891786 /nfs/dbraw/zinc/89/17/86/731891786.db2.gz SJBVBIMIRUGDAV-UHFFFAOYSA-N -1 3 356.304 3.031 20 0 FGADHM Cn1cc(C[C@H]2CCC[C@@H]2NC(=O)c2cc3sccc3c([O-])c2)cn1 ZINC000855870618 731964174 /nfs/dbraw/zinc/96/41/74/731964174.db2.gz OYDKFFVGKHATIO-CJNGLKHVSA-N -1 3 355.463 3.482 20 0 FGADHM O=C(CCCCc1ccc(Cl)c(Cl)c1)[N-]OCCN1CCCC1=O ZINC000856041881 731977795 /nfs/dbraw/zinc/97/77/95/731977795.db2.gz KSDWHYQESOIDHB-UHFFFAOYSA-N -1 3 373.280 3.376 20 0 FGADHM CN(C[C@@H]1CC1(C)C)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000856463062 732030846 /nfs/dbraw/zinc/03/08/46/732030846.db2.gz UCMIZSGAIVVZBQ-ZDUSSCGKSA-N -1 3 370.490 3.021 20 0 FGADHM C[C@@](O)(CCNC(=O)c1cc([O-])cc(C(F)(F)F)c1)c1ccccc1 ZINC000857186865 732110353 /nfs/dbraw/zinc/11/03/53/732110353.db2.gz QUNOFDBZAXJPOA-QGZVFWFLSA-N -1 3 353.340 3.439 20 0 FGADHM Cn1ccnc1[C@@H]1CCCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)C1 ZINC000857193340 732110748 /nfs/dbraw/zinc/11/07/48/732110748.db2.gz QINQDHVIEQIPPH-LLVKDONJSA-N -1 3 353.344 3.164 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-][C@H](C)C[C@@H](O)c2ccccc2)c(F)c1F ZINC000859063371 732273286 /nfs/dbraw/zinc/27/32/86/732273286.db2.gz ZUGRPLQOAIGIKZ-TZMCWYRMSA-N -1 3 355.406 3.064 20 0 FGADHM O=S(=O)([N-][C@@H]1[C@H]2Cc3c(cccc3Cl)[C@@H]12)c1cccnc1Cl ZINC000859351177 732315986 /nfs/dbraw/zinc/31/59/86/732315986.db2.gz BMBDVFNNHYQDIC-ZLKJLUDKSA-N -1 3 355.246 3.005 20 0 FGADHM O=C(OC1CCN(c2ncccn2)CC1)c1cc2cc(Cl)sc2[n-]1 ZINC000861287222 732654332 /nfs/dbraw/zinc/65/43/32/732654332.db2.gz WEINUPZMEQKSCV-UHFFFAOYSA-N -1 3 362.842 3.499 20 0 FGADHM C[C@H](CN(C)Cc1cccc([O-])c1Br)NC(=O)OC(C)(C)C ZINC000862541260 732847264 /nfs/dbraw/zinc/84/72/64/732847264.db2.gz OPQKPFKHUPFYSX-LLVKDONJSA-N -1 3 373.291 3.500 20 0 FGADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCC(=O)c1ccc(F)cc1Cl ZINC000863473708 732968263 /nfs/dbraw/zinc/96/82/63/732968263.db2.gz WNBUZKFYVCFSOP-UHFFFAOYSA-N -1 3 365.792 3.019 20 0 FGADHM C[C@@H]1CC(=O)N(C)c2ccc(NC(=O)c3[n-]cnc3C(F)(F)F)cc21 ZINC000863539629 732975510 /nfs/dbraw/zinc/97/55/10/732975510.db2.gz GZLXQKGDQHGZRR-MRVPVSSYSA-N -1 3 352.316 3.151 20 0 FGADHM C[C@@H]1CC(=O)N(C)c2ccc(NC(=O)c3nc[n-]c3C(F)(F)F)cc21 ZINC000863539629 732975511 /nfs/dbraw/zinc/97/55/11/732975511.db2.gz GZLXQKGDQHGZRR-MRVPVSSYSA-N -1 3 352.316 3.151 20 0 FGADHM Cc1csc(CN[C@H](Cc2ccc(OC(F)(F)F)cc2)C(=O)[O-])n1 ZINC000864527585 733073453 /nfs/dbraw/zinc/07/34/53/733073453.db2.gz GDPVSZADCBCYSF-GFCCVEGCSA-N -1 3 360.357 3.136 20 0 FGADHM COc1ccc(C[C@H](CNCc2c(F)cccc2F)C(=O)[O-])cc1F ZINC000864531572 733074085 /nfs/dbraw/zinc/07/40/85/733074085.db2.gz HEPQTFCGZOLAGF-GFCCVEGCSA-N -1 3 353.340 3.146 20 0 FGADHM Cc1sc2ncnc(SCc3nc4c(c(=O)[n-]3)COCC4)c2c1C ZINC000865344779 733182554 /nfs/dbraw/zinc/18/25/54/733182554.db2.gz QWBJCTBGKBBBBE-UHFFFAOYSA-N -1 3 360.464 3.169 20 0 FGADHM CCOC(=O)c1ncc(NC(=O)c2cc(Cl)nc(C(C)(C)C)c2)[n-]1 ZINC000867769737 733515963 /nfs/dbraw/zinc/51/59/63/733515963.db2.gz AELOFMJEAGXMTD-UHFFFAOYSA-N -1 3 350.806 3.185 20 0 FGADHM CCOC(=O)c1nc(NC(=O)c2cc(Cl)nc(C(C)(C)C)c2)c[n-]1 ZINC000867769737 733515965 /nfs/dbraw/zinc/51/59/65/733515965.db2.gz AELOFMJEAGXMTD-UHFFFAOYSA-N -1 3 350.806 3.185 20 0 FGADHM O=C([N-]CC[C@H]1CN(C(=O)C2CC=CC2)c2ccccc21)C(F)(F)F ZINC000871314478 733931695 /nfs/dbraw/zinc/93/16/95/733931695.db2.gz BZQMIHCXGVFDJK-ZDUSSCGKSA-N -1 3 352.356 3.152 20 0 FGADHM COc1ccc(CCC(=O)[N-]OCc2csc([C@H](C)OC)n2)cc1 ZINC000871797779 735547467 /nfs/dbraw/zinc/54/74/67/735547467.db2.gz CNTOKHZCMRXWSV-LBPRGKRZSA-N -1 3 350.440 3.040 20 0 FGADHM Cc1n[nH]c(C(F)F)c1[N-]S(=O)(=O)Cc1ccc(F)cc1Cl ZINC000872003897 735572489 /nfs/dbraw/zinc/57/24/89/735572489.db2.gz AYEPZPFISIETHM-UHFFFAOYSA-N -1 3 353.753 3.390 20 0 FGADHM Cc1nn(C)c2ncc(S(=O)(=O)[N-]c3ccc(C4CC4)cc3F)cc12 ZINC000872405258 735624094 /nfs/dbraw/zinc/62/40/94/735624094.db2.gz JGAXILDAUIWYOD-UHFFFAOYSA-N -1 3 360.414 3.094 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]Cc2cc(C(F)(F)F)cc(Cl)n2)o1 ZINC000872570066 735648464 /nfs/dbraw/zinc/64/84/64/735648464.db2.gz LCNYXLQGOZSMEK-UHFFFAOYSA-N -1 3 354.737 3.134 20 0 FGADHM O=C([O-])[C@@H]1CN(Cc2ncccc2Br)C[C@H]1c1ccccc1 ZINC000873642136 735791110 /nfs/dbraw/zinc/79/11/10/735791110.db2.gz NWSRGXRJSBNVDB-UONOGXRCSA-N -1 3 361.239 3.144 20 0 FGADHM O=C(NCc1ccc([O-])c(Br)c1)N1CC[C@@H]2CSC[C@H]2C1 ZINC000875390380 735984360 /nfs/dbraw/zinc/98/43/60/735984360.db2.gz CSHJOMOQZFMXOF-VXGBXAGGSA-N -1 3 371.300 3.049 20 0 FGADHM CSc1nsc([N-]C(=O)c2cnn(C(C)C)c2Br)n1 ZINC000878065833 736765885 /nfs/dbraw/zinc/76/58/85/736765885.db2.gz XBCGCUCOIOYGQE-UHFFFAOYSA-N -1 3 362.278 3.052 20 0 FGADHM CCN(Cc1nc2c(c(=O)[n-]1)COCC2)c1ccc(Br)cc1 ZINC000878222666 736791303 /nfs/dbraw/zinc/79/13/03/736791303.db2.gz LQHNLDAPEZWWQC-UHFFFAOYSA-N -1 3 364.243 3.044 20 0 FGADHM O=C([N-]CC[C@H]1CN(CC2CCOCC2)c2ccccc21)C(F)(F)F ZINC000879469521 736995171 /nfs/dbraw/zinc/99/51/71/736995171.db2.gz HGAGQGNWQLVCTG-AWEZNQCLSA-N -1 3 356.388 3.085 20 0 FGADHM CCO[C@@H](CS(=O)(=O)[N-]c1cccc(F)c1Br)C1CC1 ZINC000882755991 737487036 /nfs/dbraw/zinc/48/70/36/737487036.db2.gz IVLVYGCPHKMJOV-LBPRGKRZSA-N -1 3 366.252 3.145 20 0 FGADHM CC[C@H](c1nnc([N-]C(=O)c2cn(C)nc2OC)s1)c1ccccc1 ZINC000883961035 737620141 /nfs/dbraw/zinc/62/01/41/737620141.db2.gz QYTGQWSNVQLETL-LBPRGKRZSA-N -1 3 357.439 3.074 20 0 FGADHM CN1CCc2c(cccc2S(=O)(=O)[N-]c2cc(Cl)cnc2Cl)C1 ZINC000886405865 739256314 /nfs/dbraw/zinc/25/63/14/739256314.db2.gz AFZMAIJIZSPILA-UHFFFAOYSA-N -1 3 372.277 3.177 20 0 FGADHM O=C(NCc1cc(=O)[n-]c(=S)[nH]1)Nc1cccc(OC2CCCC2)c1 ZINC000887644265 739406949 /nfs/dbraw/zinc/40/69/49/739406949.db2.gz TUGOFFRELUUYAF-UHFFFAOYSA-N -1 3 360.439 3.114 20 0 FGADHM CC(C)c1cc(=O)[n-]c(N2CC[C@H](NC(=O)c3ccsc3Cl)C2)n1 ZINC000888233440 739485135 /nfs/dbraw/zinc/48/51/35/739485135.db2.gz KVUMSWKVMKLICN-JTQLQIEISA-N -1 3 366.874 3.029 20 0 FGADHM Cc1nc(-c2ccc(C(=O)N3CCCc4c(=O)[n-]cnc43)s2)cs1 ZINC000893203840 742123685 /nfs/dbraw/zinc/12/36/85/742123685.db2.gz NABRQDPNWOZYPV-UHFFFAOYSA-N -1 3 358.448 3.269 20 0 FGADHM Cc1cc(C)c(Br)c(C(=O)N2CCCc3c(=O)[n-]cnc32)c1 ZINC000893206561 742124198 /nfs/dbraw/zinc/12/41/98/742124198.db2.gz FDSHKVQIPDJOPH-UHFFFAOYSA-N -1 3 362.227 3.155 20 0 FGADHM CCOC(=O)c1nc([C@@H](C)NCc2ccc(Cl)c(C)c2Cl)n[n-]1 ZINC000895330343 742398614 /nfs/dbraw/zinc/39/86/14/742398614.db2.gz OSCGXCJWAJSHGY-SECBINFHSA-N -1 3 357.241 3.447 20 0 FGADHM CCOC(=O)c1nnc([C@@H](C)NCc2ccc(Cl)c(C)c2Cl)[n-]1 ZINC000895330343 742398621 /nfs/dbraw/zinc/39/86/21/742398621.db2.gz OSCGXCJWAJSHGY-SECBINFHSA-N -1 3 357.241 3.447 20 0 FGADHM CCOC(=O)c1n[n-]c([C@@H](C)NCc2ccc(Cl)c(C)c2Cl)n1 ZINC000895330343 742398630 /nfs/dbraw/zinc/39/86/30/742398630.db2.gz 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COc1ccc(-c2ccncc2)cc1CN[C@@H](CC(F)(F)F)C(=O)[O-] ZINC000901777353 743638397 /nfs/dbraw/zinc/63/83/97/743638397.db2.gz AYJZQYSNWMFKBT-AWEZNQCLSA-N -1 3 354.328 3.252 20 0 FGADHM O=c1cc(CSCc2[nH]nc3c2COCC3)nc(-c2ccccc2)[n-]1 ZINC000901796423 743643438 /nfs/dbraw/zinc/64/34/38/743643438.db2.gz OTNLHSNSIMJPNZ-UHFFFAOYSA-N -1 3 354.435 3.078 20 0 FGADHM C[C@@H](NCc1ncc(Br)s1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000901878810 743665488 /nfs/dbraw/zinc/66/54/88/743665488.db2.gz ZRMWIDMABNRFJQ-PWSUYJOCSA-N -1 3 369.284 3.327 20 0 FGADHM Cc1ccc(CN2CCSC[C@@H](C(=O)[O-])C2)c(C)c1Br ZINC000901886797 743666632 /nfs/dbraw/zinc/66/66/32/743666632.db2.gz ANMKPKHMOKMSEY-ZDUSSCGKSA-N -1 3 358.301 3.316 20 0 FGADHM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc3c(c2)C[C@H](C)O3)ccc1C ZINC000901954173 743685582 /nfs/dbraw/zinc/68/55/82/743685582.db2.gz DZZQFAWTMNQGRB-LBPRGKRZSA-N -1 3 360.435 3.078 20 0 FGADHM O=S(=O)(C[C@@H]1CCCCO1)[N-]c1c(F)ccc(Br)c1F ZINC000901960988 743686060 /nfs/dbraw/zinc/68/60/60/743686060.db2.gz ADWXMIKOJMQLHB-QMMMGPOBSA-N -1 3 370.215 3.038 20 0 FGADHM O=C([O-])COc1ccc(CNCc2cccc(OCC(F)F)c2)cc1 ZINC000902215185 743723473 /nfs/dbraw/zinc/72/34/73/743723473.db2.gz NAXSYIQTYHVNAC-UHFFFAOYSA-N -1 3 351.349 3.084 20 0 FGADHM O=C([O-])C(F)(F)[C@@H]1CC[C@H](NCc2nnc(-c3ccccc3)s2)C1 ZINC000902384000 743739438 /nfs/dbraw/zinc/73/94/38/743739438.db2.gz XJTYGNCALQYJEM-NEPJUHHUSA-N -1 3 353.394 3.183 20 0 FGADHM CC(C)[C@@H]1CN(Cc2cn(CC(=O)[O-])nc2-c2ccccc2)CCS1 ZINC000902389286 743740084 /nfs/dbraw/zinc/74/00/84/743740084.db2.gz WIGPKEIUCZKZHK-KRWDZBQOSA-N -1 3 359.495 3.208 20 0 FGADHM O=C([N-]C[C@@H]1CC[C@@H](O)C1)C(F)(F)c1ncc(C(F)(F)F)cc1Cl ZINC000902927481 743789482 /nfs/dbraw/zinc/78/94/82/743789482.db2.gz OXSQTGBSBSLFCK-VXNVDRBHSA-N -1 3 372.721 3.123 20 0 FGADHM O=C([O-])c1ccc(CN2CCC3(C[C@@H]3C(=O)N3CCCCC3)CC2)s1 ZINC000903680672 743873052 /nfs/dbraw/zinc/87/30/52/743873052.db2.gz CGINZZSEIVFYAV-OAHLLOKOSA-N -1 3 362.495 3.061 20 0 FGADHM COc1ccc([C@@H](O)C2CCN(Cc3ccc(C(=O)[O-])s3)CC2)cc1 ZINC000903689323 743875410 /nfs/dbraw/zinc/87/54/10/743875410.db2.gz GCDSSVAAKFBKCU-GOSISDBHSA-N -1 3 361.463 3.401 20 0 FGADHM O=C([O-])c1ccc(Br)c(CN2CC[C@H]3CSC[C@H]3C2)c1 ZINC000903911711 743896556 /nfs/dbraw/zinc/89/65/56/743896556.db2.gz NBLDFBQARAJOSS-WCQYABFASA-N -1 3 356.285 3.332 20 0 FGADHM C[C@@H]1C[C@H](C)N(Cc2cc(Cl)c3c(c2)OCCO3)[C@@H](C)[C@@H]1C(=O)[O-] ZINC000903952419 743904424 /nfs/dbraw/zinc/90/44/24/743904424.db2.gz XMRWXKLHYXRGLA-KZTGVZKYSA-N -1 3 353.846 3.431 20 0 FGADHM Cn1c(Cl)nc(Cl)c1CN[C@@H](CCSc1ccccc1)C(=O)[O-] ZINC000904015676 743913381 /nfs/dbraw/zinc/91/33/81/743913381.db2.gz UYADQODGSSMPOQ-NSHDSACASA-N -1 3 374.293 3.452 20 0 FGADHM CCc1cc(Oc2ccc(F)cc2CNC[C@@H](O)C(=O)[O-])ccc1Cl ZINC000904053342 743920550 /nfs/dbraw/zinc/92/05/50/743920550.db2.gz JHTOZLBDFXHKBF-MRXNPFEDSA-N -1 3 367.804 3.369 20 0 FGADHM CCOCC[C@@H](NCc1nc2ccc(Br)cc2s1)C(=O)[O-] ZINC000904066869 743923742 /nfs/dbraw/zinc/92/37/42/743923742.db2.gz FUJJDNAKYCCUEI-LLVKDONJSA-N -1 3 373.272 3.028 20 0 FGADHM CCOCC[C@H](NCc1cc(Cl)ccc1Br)C(=O)[O-] ZINC000904068048 743924214 /nfs/dbraw/zinc/92/42/14/743924214.db2.gz QCBZIKIDUDPPCD-LBPRGKRZSA-N -1 3 350.640 3.072 20 0 FGADHM Cc1n[nH]cc1CN[C@@H](CCC(=O)[O-])c1ccc(Br)cc1 ZINC000904072360 743924951 /nfs/dbraw/zinc/92/49/51/743924951.db2.gz FXKPFDUDQBSKGT-AWEZNQCLSA-N -1 3 352.232 3.176 20 0 FGADHM O=C([O-])[C@H](NC[C@H]1CC[C@@H](C2CC2)O1)c1ccccc1Br ZINC000905394863 744018278 /nfs/dbraw/zinc/01/82/78/744018278.db2.gz KHASYYZOKOTNLN-BYCMXARLSA-N -1 3 354.244 3.122 20 0 FGADHM CC1(C)CC[C@@H](CN[C@@H](C(=O)[O-])c2ccccc2Br)OC1 ZINC000905397529 744018605 /nfs/dbraw/zinc/01/86/05/744018605.db2.gz YHIZKYJNHYAPES-SMDDNHRTSA-N -1 3 356.260 3.370 20 0 FGADHM CC[C@@H]1CO[C@@H](C)CN1C(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000906823013 744162852 /nfs/dbraw/zinc/16/28/52/744162852.db2.gz GQFIZELCGSJTFL-WDEREUQCSA-N -1 3 355.460 3.130 20 0 FGADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N[C@]2(C)CCO[C@H]2C2CC2)s1 ZINC000907351527 744206011 /nfs/dbraw/zinc/20/60/11/744206011.db2.gz RUORIPVYLPASAZ-YVEFUNNKSA-N -1 3 367.471 3.178 20 0 FGADHM C[C@H](O)C[C@@H]1CCCCN1C(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000907854407 744241903 /nfs/dbraw/zinc/24/19/03/744241903.db2.gz FSNCQSGGOTWYJN-RYUDHWBXSA-N -1 3 369.487 3.256 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1cnc(Cl)cc1C(F)(F)F)c1cncs1 ZINC000907931556 744248528 /nfs/dbraw/zinc/24/85/28/744248528.db2.gz BNFQSRMIHIVNRP-ZCFIWIBFSA-N -1 3 371.793 3.250 20 0 FGADHM CCC[C@@]1(NC(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)CCOC1 ZINC000908153830 744264482 /nfs/dbraw/zinc/26/44/82/744264482.db2.gz BDLVOLAEUGUTCK-MRXNPFEDSA-N -1 3 355.460 3.179 20 0 FGADHM O=C([O-])C[C@@H](NC(=O)c1cccc(CN2CCCC2)c1)c1cccs1 ZINC000908641364 744303458 /nfs/dbraw/zinc/30/34/58/744303458.db2.gz DMNVFHFZRAYRAE-MRXNPFEDSA-N -1 3 358.463 3.290 20 0 FGADHM CCN(CC)[C@H](CNC(=O)N1CCCCC[C@H]1C(=O)[O-])c1ccsc1 ZINC000908802396 744319237 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3.492 20 0 FGADHM C[C@H]([N-]S(=O)(=O)Cc1cccc(F)c1F)c1nc2c(s1)CCC2 ZINC000573679892 505595667 /nfs/dbraw/zinc/59/56/67/505595667.db2.gz UAKJNWASVLBIFQ-VIFPVBQESA-N -1 3 358.435 3.091 20 0 FGADHM Cc1cc(C)n(-c2ccc(CN3CC[C@](C(=O)[O-])(C(F)(F)F)C3)cc2)n1 ZINC000568073584 505609359 /nfs/dbraw/zinc/60/93/59/505609359.db2.gz GEWLTYPURPMIEH-KRWDZBQOSA-N -1 3 367.371 3.328 20 0 FGADHM C[C@H]1N(c2c(C(=O)[O-])cnc3cc4c(cc32)OCO4)CCC12CCOCC2 ZINC000579716872 505608217 /nfs/dbraw/zinc/60/82/17/505608217.db2.gz VDGGLUQYKLEGFN-GFCCVEGCSA-N -1 3 370.405 3.057 20 0 FGADHM COc1cc(Br)c(CN(CCC(=O)[O-])CC(C)C)cc1OC ZINC000579721586 505609263 /nfs/dbraw/zinc/60/92/63/505609263.db2.gz AGXWZAXNRHKBCO-UHFFFAOYSA-N -1 3 374.275 3.399 20 0 FGADHM Cc1nc(C)c(CC(=O)N(Cc2ccccc2Cl)CC2CC2)c(=O)[n-]1 ZINC000573750276 505610201 /nfs/dbraw/zinc/61/02/01/505610201.db2.gz IEMXGTVSYADZER-UHFFFAOYSA-N -1 3 359.857 3.434 20 0 FGADHM CN(CC1=Nc2ccccc2S(=O)(=O)[N-]1)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000570927368 505613784 /nfs/dbraw/zinc/61/37/84/505613784.db2.gz LDEUWWYCFIJHEV-FUHWJXTLSA-N -1 3 369.490 3.277 20 0 FGADHM O=C(c1c(F)ccc([O-])c1F)N1CCC(N2CCc3ccccc3C2)CC1 ZINC000570949667 505618819 /nfs/dbraw/zinc/61/88/19/505618819.db2.gz JYNSJQITHNJKEY-UHFFFAOYSA-N -1 3 372.415 3.333 20 0 FGADHM Cc1ncc(CNC(=O)Nc2ccccc2O[C@@H](C)C(F)(F)F)c(=O)[n-]1 ZINC000568134905 505625024 /nfs/dbraw/zinc/62/50/24/505625024.db2.gz MCJAYYHYGCKWPC-VIFPVBQESA-N -1 3 370.331 3.142 20 0 FGADHM O=C(Cc1csc2ccc(Cl)cc12)N1CCc2c(=O)[n-]cnc2C1 ZINC000573811965 505627157 /nfs/dbraw/zinc/62/71/57/505627157.db2.gz XHLUAQUSVRORFH-UHFFFAOYSA-N -1 3 359.838 3.178 20 0 FGADHM CC(C)(C)OCc1cccc(CNC(=O)c2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000568192376 505640561 /nfs/dbraw/zinc/64/05/61/505640561.db2.gz IZXZECSDNRKNKD-UHFFFAOYSA-N -1 3 355.438 3.305 20 0 FGADHM CC[C@@H](CSC)N(C)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000603046523 506397271 /nfs/dbraw/zinc/39/72/71/506397271.db2.gz ZSBBHISLDHHZHY-QMMMGPOBSA-N -1 3 358.817 3.126 20 0 FGADHM CCCCCNC(=O)C1CCN(C(=O)c2cc([O-])ccc2Cl)CC1 ZINC000577107169 505665544 /nfs/dbraw/zinc/66/55/44/505665544.db2.gz NGGGLZYPYYMHRE-UHFFFAOYSA-N -1 3 352.862 3.204 20 0 FGADHM [O-]c1cccc(CN2CCC([C@@H](O)C(F)(F)F)CC2)c1Br ZINC000571166924 505670284 /nfs/dbraw/zinc/67/02/84/505670284.db2.gz YJNZNPJILVHBRF-CYBMUJFWSA-N -1 3 368.193 3.290 20 0 FGADHM Cc1ccc2ncc(C(=O)[O-])c(NCCN3CCc4ccccc4C3)c2c1 ZINC000571169255 505670824 /nfs/dbraw/zinc/67/08/24/505670824.db2.gz KYGCHIZKQUWRMY-UHFFFAOYSA-N -1 3 361.445 3.134 20 0 FGADHM CCc1ncc(S(=O)(=O)[N-][C@H](COC)c2cccc(Cl)c2)s1 ZINC000580058716 505671985 /nfs/dbraw/zinc/67/19/85/505671985.db2.gz AHTOCRNZBFUJLO-GFCCVEGCSA-N -1 3 360.888 3.025 20 0 FGADHM CCCCCOc1ccc(C(=O)N=c2[n-]n(C)cc2Br)cc1 ZINC000571167602 505670328 /nfs/dbraw/zinc/67/03/28/505670328.db2.gz RTBMNCWFLPJVHM-UHFFFAOYSA-N -1 3 366.259 3.426 20 0 FGADHM CCn1cnc(S(=O)(=O)[N-][C@H]2CCc3c2ccc(Cl)c3Cl)c1 ZINC000080754755 493773992 /nfs/dbraw/zinc/77/39/92/493773992.db2.gz HEJQHVMKXXSMJM-LBPRGKRZSA-N -1 3 360.266 3.176 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H](COC)c3ccc(C)o3)nc2)n1 ZINC000081009863 493812961 /nfs/dbraw/zinc/81/29/61/493812961.db2.gz XBGZNUKVOGXURV-HNNXBMFYSA-N -1 3 354.410 3.095 20 0 FGADHM COC(=O)CCCC[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000081038604 493819926 /nfs/dbraw/zinc/81/99/26/493819926.db2.gz PMMSAONYJHVPNJ-UHFFFAOYSA-N -1 3 361.872 3.176 20 0 FGADHM CSc1ccccc1NC(=O)CN(C)C(=O)c1ccc(C)c(C)c1[O-] ZINC000048379808 493823165 /nfs/dbraw/zinc/82/31/65/493823165.db2.gz QTXMMCPYXMCCPY-UHFFFAOYSA-N -1 3 358.463 3.442 20 0 FGADHM COC(=O)CCC(C)(C)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000081064445 493823562 /nfs/dbraw/zinc/82/35/62/493823562.db2.gz YGLMAXWYADPSTK-UHFFFAOYSA-N -1 3 354.255 3.004 20 0 FGADHM Cc1ccc(C[N-]S(=O)(=O)c2sccc2Br)s1 ZINC000048445292 493829393 /nfs/dbraw/zinc/82/93/93/493829393.db2.gz OMRFWNKOSZSLQS-UHFFFAOYSA-N -1 3 352.300 3.359 20 0 FGADHM COc1ccc2c(c1)[n-]cc(C(=O)N1CCc3[nH]c4ccccc4c3C1)c2=O ZINC000058193513 493832178 /nfs/dbraw/zinc/83/21/78/493832178.db2.gz LJYDJHCTCBYYSO-UHFFFAOYSA-N -1 3 373.412 3.217 20 0 FGADHM O=S(=O)([N-]c1cc(F)ccc1Cl)c1ccc2c(c1)OCCCO2 ZINC000076195289 493840619 /nfs/dbraw/zinc/84/06/19/493840619.db2.gz GUWPXHNHQYIGEQ-UHFFFAOYSA-N -1 3 357.790 3.441 20 0 FGADHM CCCS(=O)(=O)[N-]c1ccc(C(=O)Nc2cccc(COC)c2)cc1 ZINC000076197016 493841571 /nfs/dbraw/zinc/84/15/71/493841571.db2.gz ZGHDXIKTTKFHSM-UHFFFAOYSA-N -1 3 362.451 3.237 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@@H](c3ccccc3)N(C)C)nc2)n1 ZINC000068622458 493846861 /nfs/dbraw/zinc/84/68/61/493846861.db2.gz PXLDAEVCLWMGLT-SFHVURJKSA-N -1 3 363.465 3.109 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@H](c3ccccc3)N(C)C)nc2)n1 ZINC000068622461 493847244 /nfs/dbraw/zinc/84/72/44/493847244.db2.gz PXLDAEVCLWMGLT-GOSISDBHSA-N -1 3 363.465 3.109 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H](C)c3nc4ccccc4[nH]3)nc2)n1 ZINC000068692388 493858350 /nfs/dbraw/zinc/85/83/50/493858350.db2.gz GONYVFGRWZALAZ-GFCCVEGCSA-N -1 3 360.421 3.444 20 0 FGADHM Cc1ccc(-c2cc(C(=O)[N-]c3cc(-n4cnnn4)ccc3F)on2)cc1 ZINC000058480694 493858396 /nfs/dbraw/zinc/85/83/96/493858396.db2.gz VBKHRPUHXCAPBX-UHFFFAOYSA-N -1 3 364.340 3.017 20 0 FGADHM CCc1nc(CN(C)c2ccc(-c3nc(CC)cc(=O)[n-]3)cn2)cs1 ZINC000068692208 493858503 /nfs/dbraw/zinc/85/85/03/493858503.db2.gz OWIPPZQBKYHTIY-UHFFFAOYSA-N -1 3 355.467 3.050 20 0 FGADHM CCOC[C@H]([N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)C(C)C ZINC000571234386 505685707 /nfs/dbraw/zinc/68/57/07/505685707.db2.gz PRKOMZPUWVDDGC-NSHDSACASA-N -1 3 373.368 3.064 20 0 FGADHM Cc1nc(-c2ccccc2)oc1C(=O)[N-]c1sccc1S(C)(=O)=O ZINC000081417724 493889358 /nfs/dbraw/zinc/88/93/58/493889358.db2.gz URGKONKQROKWRY-UHFFFAOYSA-N -1 3 362.432 3.367 20 0 FGADHM CN(c1ccccc1)c1ccc(C(=O)Nc2nnc(-c3ccco3)[n-]2)cn1 ZINC000076462192 493896954 /nfs/dbraw/zinc/89/69/54/493896954.db2.gz OLYYLXBAOXEYLU-UHFFFAOYSA-N -1 3 360.377 3.480 20 0 FGADHM CN(c1ccccc1)c1ccc(C(=O)Nc2nc(-c3ccco3)n[n-]2)cn1 ZINC000076462192 493896958 /nfs/dbraw/zinc/89/69/58/493896958.db2.gz OLYYLXBAOXEYLU-UHFFFAOYSA-N -1 3 360.377 3.480 20 0 FGADHM CN(c1ccccc1)c1ccc(C(=O)Nc2n[n-]c(-c3ccco3)n2)cn1 ZINC000076462192 493896963 /nfs/dbraw/zinc/89/69/63/493896963.db2.gz OLYYLXBAOXEYLU-UHFFFAOYSA-N -1 3 360.377 3.480 20 0 FGADHM O=C(Nc1ccc(OCC2CCOCC2)cc1)c1ccc2n[n-]nc2c1 ZINC000076650117 493942247 /nfs/dbraw/zinc/94/22/47/493942247.db2.gz ULCFNKSAGNZHBQ-UHFFFAOYSA-N -1 3 352.394 3.016 20 0 FGADHM CCc1cccc(C(=O)N2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)c1[O-] ZINC000081777731 493952731 /nfs/dbraw/zinc/95/27/31/493952731.db2.gz SGGCZVTYBLCPPV-MRXNPFEDSA-N -1 3 371.412 3.130 20 0 FGADHM COc1ccc(CS(=O)(=O)c2nnc(CCC3CCCC3)[n-]2)cc1F ZINC000069300386 493953191 /nfs/dbraw/zinc/95/31/91/493953191.db2.gz MOZRZEOLAVEBCC-UHFFFAOYSA-N -1 3 367.446 3.049 20 0 FGADHM COc1ccc(CS(=O)(=O)c2nc(CCC3CCCC3)n[n-]2)cc1F ZINC000069300386 493953194 /nfs/dbraw/zinc/95/31/94/493953194.db2.gz MOZRZEOLAVEBCC-UHFFFAOYSA-N -1 3 367.446 3.049 20 0 FGADHM O=C(Nc1ccc(Oc2ccncc2)cc1)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000051236342 493955788 /nfs/dbraw/zinc/95/57/88/493955788.db2.gz VQHRESYSUNUYCX-UHFFFAOYSA-N -1 3 374.356 3.402 20 0 FGADHM O=S(=O)([N-]CCc1ccccc1Br)c1ccccc1F ZINC000060922684 493958814 /nfs/dbraw/zinc/95/88/14/493958814.db2.gz CWTMMXIIKRASNV-UHFFFAOYSA-N -1 3 358.232 3.109 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc(C(C)C)n(C)n3)c2)n1 ZINC000081851575 493963988 /nfs/dbraw/zinc/96/39/88/493963988.db2.gz KLNNFOVTHKGZEV-UHFFFAOYSA-N -1 3 365.437 3.109 20 0 FGADHM COC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc(C)c(Cl)c1)c1cccs1 ZINC000032412423 493987040 /nfs/dbraw/zinc/98/70/40/493987040.db2.gz ZZRSVRGTTQONGH-CYBMUJFWSA-N -1 3 373.883 3.293 20 0 FGADHM CCOC(=O)c1sc2[n-]c([C@H](C)N3CCCCCC3)nc(=O)c2c1C ZINC000007002139 493993407 /nfs/dbraw/zinc/99/34/07/493993407.db2.gz HSPAILTUZREKAZ-LBPRGKRZSA-N -1 3 363.483 3.407 20 0 FGADHM CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000069693399 493997944 /nfs/dbraw/zinc/99/79/44/493997944.db2.gz IXGGEQKZYCEKOZ-SFHVURJKSA-N -1 3 360.841 3.368 20 0 FGADHM COCCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)cc1 ZINC000032631105 494002068 /nfs/dbraw/zinc/00/20/68/494002068.db2.gz GWBVZIJBGMENSM-UHFFFAOYSA-N -1 3 361.463 3.391 20 0 FGADHM Cc1nn(C)c(C)c1[C@H](C)C(=O)Nc1ccc(Br)cc1[O-] ZINC000070022883 494037768 /nfs/dbraw/zinc/03/77/68/494037768.db2.gz RGDPJOAIEXKEFO-QMMMGPOBSA-N -1 3 352.232 3.247 20 0 FGADHM Cc1nc2ccccc2n1CC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000007674677 494034074 /nfs/dbraw/zinc/03/40/74/494034074.db2.gz DPFRBVRWEOPBSY-UHFFFAOYSA-N -1 3 367.833 3.116 20 0 FGADHM COCC(=O)Nc1cccc(CNC(=O)c2ccc(C(C)C)cc2[O-])c1 ZINC000052558921 494039823 /nfs/dbraw/zinc/03/98/23/494039823.db2.gz NSYWWAVTODHAGF-UHFFFAOYSA-N -1 3 356.422 3.031 20 0 FGADHM O=C(CSCc1ccc(Cl)cc1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000070731135 494052129 /nfs/dbraw/zinc/05/21/29/494052129.db2.gz GYZPQXBRWYNLHJ-UHFFFAOYSA-N -1 3 359.842 3.392 20 0 FGADHM O=C(CSCc1ccc(Cl)cc1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000070731135 494052132 /nfs/dbraw/zinc/05/21/32/494052132.db2.gz GYZPQXBRWYNLHJ-UHFFFAOYSA-N -1 3 359.842 3.392 20 0 FGADHM COc1cc(C)sc1C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000070806977 494059415 /nfs/dbraw/zinc/05/94/15/494059415.db2.gz LTXVGWDAGYNYPR-UHFFFAOYSA-N -1 3 355.419 3.376 20 0 FGADHM Cc1ccccc1CC(=O)Nc1nc(-c2ccc(Br)cc2)n[n-]1 ZINC000063497600 494060622 /nfs/dbraw/zinc/06/06/22/494060622.db2.gz BMGPKBVDGDBYQE-UHFFFAOYSA-N -1 3 371.238 3.146 20 0 FGADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@H]3CC34CC4)c2)cc1 ZINC000571278178 505697341 /nfs/dbraw/zinc/69/73/41/505697341.db2.gz MHEBMLRVBRXVBY-SFHVURJKSA-N -1 3 370.474 3.387 20 0 FGADHM CN(c1ccccc1)C1CCN(Cc2c([O-])nnn2-c2ccccc2)CC1 ZINC000084482280 494074940 /nfs/dbraw/zinc/07/49/40/494074940.db2.gz UAEVHXIRSKNGEH-UHFFFAOYSA-N -1 3 363.465 3.074 20 0 FGADHM O=c1[n-]c(CSc2nnnn2C2CCCC2)nc2c3ccccc3oc21 ZINC000008307766 494082881 /nfs/dbraw/zinc/08/28/81/494082881.db2.gz BOYGFGFUAHHPSR-UHFFFAOYSA-N -1 3 368.422 3.063 20 0 FGADHM CCCC[C@@H](CCC)CNC(=O)c1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000084827059 494100595 /nfs/dbraw/zinc/10/05/95/494100595.db2.gz LWCDEHUWKMMJCF-JLTOFOAXSA-N -1 3 359.470 3.078 20 0 FGADHM COc1cccc([C@H](CNC(=O)c2cc(C)ccc2[O-])N2CCCC2)c1 ZINC000071798477 494101791 /nfs/dbraw/zinc/10/17/91/494101791.db2.gz YBQNLXNFKDGFSU-IBGZPJMESA-N -1 3 354.450 3.276 20 0 FGADHM COC(=O)c1sc2[n-]c(CSc3ccc(O)cc3)nc(=O)c2c1C ZINC000064037297 494103705 /nfs/dbraw/zinc/10/37/05/494103705.db2.gz YINXTMIWPXFUPM-UHFFFAOYSA-N -1 3 362.432 3.078 20 0 FGADHM O=S(=O)([N-]Cc1ccc(F)cc1)c1ccc(F)cc1Br ZINC000037408711 494105041 /nfs/dbraw/zinc/10/50/41/494105041.db2.gz SEWALFFBQJNAGG-UHFFFAOYSA-N -1 3 362.195 3.206 20 0 FGADHM O=C(C[C@H]1CN(Cc2ccccc2)CCO1)Nc1cc(Cl)ccc1[O-] ZINC000038494897 494113482 /nfs/dbraw/zinc/11/34/82/494113482.db2.gz DPZRHOLUVCDMHW-INIZCTEOSA-N -1 3 360.841 3.275 20 0 FGADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)C3=Cc4ccccc4OC3)cc2)n1 ZINC000064342624 494115310 /nfs/dbraw/zinc/11/53/10/494115310.db2.gz BWFRHRSYECHEDB-UHFFFAOYSA-N -1 3 359.385 3.160 20 0 FGADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)CCc3ccc(F)cc3)cc2)n1 ZINC000064342707 494115441 /nfs/dbraw/zinc/11/54/41/494115441.db2.gz ZTOXYHMZQIBRBT-UHFFFAOYSA-N -1 3 351.381 3.456 20 0 FGADHM Cc1ccc(O[C@H](C)C(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)cc1 ZINC000064359400 494116153 /nfs/dbraw/zinc/11/61/53/494116153.db2.gz GTNOGEUOFSKOAH-OAHLLOKOSA-N -1 3 363.417 3.460 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc4c(c3)COC4)c2)n1 ZINC000064393201 494120177 /nfs/dbraw/zinc/12/01/77/494120177.db2.gz FRVMDAUGEUADNL-UHFFFAOYSA-N -1 3 361.401 3.282 20 0 FGADHM COc1ccc(C(=O)C[C@H](C)C(=O)Nc2cccc(C(C)=O)c2[O-])cc1 ZINC000580195808 505701466 /nfs/dbraw/zinc/70/14/66/505701466.db2.gz LTYPJNUKEZIRMY-LBPRGKRZSA-N -1 3 355.390 3.451 20 0 FGADHM CN(CC(=O)Nc1cccc(Cl)c1)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000053478974 494136996 /nfs/dbraw/zinc/13/69/96/494136996.db2.gz XSIQWSQNYPHIER-UHFFFAOYSA-N -1 3 369.808 3.305 20 0 FGADHM O=S(=O)([N-]C[C@H]1CCCN(Cc2cccs2)C1)c1cccs1 ZINC000064599533 494137349 /nfs/dbraw/zinc/13/73/49/494137349.db2.gz HCCHBMMOLLWNAM-CYBMUJFWSA-N -1 3 356.538 3.000 20 0 FGADHM COc1ccc(CNC(=O)c2cc(=O)c3ccccc3[n-]2)cc1OC(F)F ZINC000053482383 494138002 /nfs/dbraw/zinc/13/80/02/494138002.db2.gz VBLMZBYFIQUKAG-UHFFFAOYSA-N -1 3 374.343 3.068 20 0 FGADHM COc1ccc(-c2noc(CCC(=O)Nc3ccc(C)cc3[O-])n2)cc1 ZINC000010123588 494143461 /nfs/dbraw/zinc/14/34/61/494143461.db2.gz OTIGKACWWNHQPG-UHFFFAOYSA-N -1 3 353.378 3.331 20 0 FGADHM CCC[C@@](C)(NCc1cc(OC)c(OC)cc1Br)C(=O)[O-] ZINC000086731932 494156800 /nfs/dbraw/zinc/15/68/00/494156800.db2.gz CHCICJPTKIRQSM-OAHLLOKOSA-N -1 3 360.248 3.199 20 0 FGADHM CN(Cc1ccccc1N1CCCC1)C(=O)c1c[n-]c2ccccc2c1=O ZINC000053789899 494165902 /nfs/dbraw/zinc/16/59/02/494165902.db2.gz UYCDUTMKIAYXKE-UHFFFAOYSA-N -1 3 361.445 3.401 20 0 FGADHM Cc1nnc([N-]C(=O)c2cc(-c3cccs3)nc3c2c(C)nn3C)s1 ZINC000011215302 494172747 /nfs/dbraw/zinc/17/27/47/494172747.db2.gz QITWGDZPBCPDAJ-UHFFFAOYSA-N -1 3 370.463 3.417 20 0 FGADHM C[C@H](CCC(C)(C)C)NC(=O)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000077798031 494181310 /nfs/dbraw/zinc/18/13/10/494181310.db2.gz SLUBBCKZPYWVLA-OAHLLOKOSA-N -1 3 361.486 3.074 20 0 FGADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)Cc3ccc(F)c(F)c3)cc2)n1 ZINC000087191782 494181341 /nfs/dbraw/zinc/18/13/41/494181341.db2.gz QMTLKMXGIDLIRB-UHFFFAOYSA-N -1 3 355.344 3.205 20 0 FGADHM Cc1ccc(OC2CCN(C(=O)c3ccc4n[n-]nc4c3)CC2)cc1C ZINC000054010050 494185946 /nfs/dbraw/zinc/18/59/46/494185946.db2.gz RYKCFEVDTYVDLL-UHFFFAOYSA-N -1 3 350.422 3.258 20 0 FGADHM O=C([N-]c1nc2ccc(F)cn2n1)c1cnc(Cc2ccccc2)s1 ZINC000087354397 494196229 /nfs/dbraw/zinc/19/62/29/494196229.db2.gz FAUOFJJPGYBYPE-UHFFFAOYSA-N -1 3 353.382 3.168 20 0 FGADHM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccc3c(c2)OCC(=O)N3)c(C)c1C ZINC000011908652 494196374 /nfs/dbraw/zinc/19/63/74/494196374.db2.gz ZBGRDUFAANENSR-UHFFFAOYSA-N -1 3 374.462 3.360 20 0 FGADHM CC[C@H](Sc1[n-]c(=O)nc(C)c1C(=O)OC)c1ccc(F)cc1F ZINC000077911872 494200060 /nfs/dbraw/zinc/20/00/60/494200060.db2.gz LPEJYBFADGGGHK-LBPRGKRZSA-N -1 3 354.378 3.387 20 0 FGADHM CC(C)CC1(CNC(=O)c2ccc([N-]S(C)(=O)=O)cc2)CCCC1 ZINC000088202459 494213093 /nfs/dbraw/zinc/21/30/93/494213093.db2.gz JJOLIUPEMTZKHG-UHFFFAOYSA-N -1 3 352.500 3.394 20 0 FGADHM CCOc1cccc2cc([C@H](C)[N-]S(=O)(=O)Cc3ccon3)oc21 ZINC000078051228 494217321 /nfs/dbraw/zinc/21/73/21/494217321.db2.gz KLYZEEOQOKROIY-NSHDSACASA-N -1 3 350.396 3.000 20 0 FGADHM CN(C)C(=O)Cc1ccc(NC(=O)c2cc3c(cc2[O-])CCCC3)cc1 ZINC000065619046 494220677 /nfs/dbraw/zinc/22/06/77/494220677.db2.gz XWRSUMXJGXEVAZ-UHFFFAOYSA-N -1 3 352.434 3.154 20 0 FGADHM Cc1c(C(N)=O)sc2[n-]c(CSc3cc(C)ccc3C)nc(=O)c12 ZINC000042620175 494229799 /nfs/dbraw/zinc/22/97/99/494229799.db2.gz GVGDZLQGIQSVQT-UHFFFAOYSA-N -1 3 359.476 3.301 20 0 FGADHM C[C@@H](c1cc(F)ccc1F)N(C)C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000065803896 494240381 /nfs/dbraw/zinc/24/03/81/494240381.db2.gz WXNFMYBHUVJCOF-VIFPVBQESA-N -1 3 359.332 3.073 20 0 FGADHM O=S(=O)([N-][C@@H]1CCCC[C@@H]1n1cccn1)c1cc(F)ccc1Cl ZINC000072721170 494240418 /nfs/dbraw/zinc/24/04/18/494240418.db2.gz ZSJMFFAQLZJALD-KGLIPLIRSA-N -1 3 357.838 3.138 20 0 FGADHM CC(C)CCNC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000042905674 494251693 /nfs/dbraw/zinc/25/16/93/494251693.db2.gz WLVOSDQUXJVFNR-UHFFFAOYSA-N -1 3 367.877 3.452 20 0 FGADHM CS[C@@H](C)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000043007914 494257633 /nfs/dbraw/zinc/25/76/33/494257633.db2.gz HLNJLRAQXDBPCP-ZDUSSCGKSA-N -1 3 364.492 3.486 20 0 FGADHM CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000078228827 494258074 /nfs/dbraw/zinc/25/80/74/494258074.db2.gz ROYABWBYPABOIP-SFHVURJKSA-N -1 3 355.482 3.107 20 0 FGADHM C[C@@H](CC(=O)Nc1ccccc1[N-]S(C)(=O)=O)Cc1cccc(F)c1 ZINC000072859815 494268881 /nfs/dbraw/zinc/26/88/81/494268881.db2.gz XMAXBJQTXRXHGM-CYBMUJFWSA-N -1 3 364.442 3.405 20 0 FGADHM CN1C(=O)Cc2cc(S(=O)(=O)[N-]c3cc(Cl)ccc3Cl)ccc21 ZINC000012968118 494273077 /nfs/dbraw/zinc/27/30/77/494273077.db2.gz PAKFBUVJCVLNPX-UHFFFAOYSA-N -1 3 371.245 3.313 20 0 FGADHM CCOCCOCc1cccc(N[C@H](C)C(=O)[N-]c2cc(C)no2)c1C ZINC000072914365 494283279 /nfs/dbraw/zinc/28/32/79/494283279.db2.gz IIXREJKMCXHVIS-OAHLLOKOSA-N -1 3 361.442 3.284 20 0 FGADHM COc1cccc(C(=O)NCc2ccc(NC(=O)c3ccco3)cc2)c1[O-] ZINC000078479610 494303751 /nfs/dbraw/zinc/30/37/51/494303751.db2.gz RLDXZSIWBIEUMB-UHFFFAOYSA-N -1 3 366.373 3.176 20 0 FGADHM Cc1cccc(C(=O)N2CC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)c1[O-] ZINC000089480483 494316227 /nfs/dbraw/zinc/31/62/27/494316227.db2.gz BRQQOBDRGXFDJF-CYBMUJFWSA-N -1 3 366.339 3.408 20 0 FGADHM CCOC(=O)c1ccc(NC(=O)c2c(Cl)n(C)nc2C(C)C)c([O-])c1 ZINC000089543852 494322872 /nfs/dbraw/zinc/32/28/72/494322872.db2.gz LXRSEPCBKQRGSQ-UHFFFAOYSA-N -1 3 365.817 3.332 20 0 FGADHM O=C(c1ccccc1[O-])N1CCN(c2nc(-c3ccccc3)cs2)CC1 ZINC000089589324 494326789 /nfs/dbraw/zinc/32/67/89/494326789.db2.gz CXTJTTCOCVMQCM-UHFFFAOYSA-N -1 3 365.458 3.478 20 0 FGADHM CCC[C@@H](C)S(=O)(=O)[N-][C@@H](C)c1nc(-c2ccc(CC)cc2)no1 ZINC000568520180 505714489 /nfs/dbraw/zinc/71/44/89/505714489.db2.gz WZSAVKILNMJGJD-OLZOCXBDSA-N -1 3 351.472 3.468 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CCOc3c(Cl)cccc32)c1 ZINC000055460447 494348288 /nfs/dbraw/zinc/34/82/88/494348288.db2.gz IPDKQLNQCACTFR-OAHLLOKOSA-N -1 3 360.797 3.258 20 0 FGADHM Cc1nc(C)c(CCC(=O)N(Cc2ccc([C@@H]3C[C@@H]3C)o2)C2CC2)c(=O)[n-]1 ZINC000078794644 494362213 /nfs/dbraw/zinc/36/22/13/494362213.db2.gz GBUAODFZEARNME-KPZWWZAWSA-N -1 3 369.465 3.227 20 0 FGADHM C[N-]S(=O)(=O)c1ccc(CNC(=O)C[C@@H]2C[C@H](C)CC(C)(C)C2)s1 ZINC000066606394 494365899 /nfs/dbraw/zinc/36/58/99/494365899.db2.gz DYBLPJWOUHBWHK-STQMWFEESA-N -1 3 372.556 3.125 20 0 FGADHM CN(C)C(=O)c1cc([N-]S(=O)(=O)CCc2ccccc2)ccc1Cl ZINC000055588672 494367640 /nfs/dbraw/zinc/36/76/40/494367640.db2.gz IHXJNWZTAWMHOY-UHFFFAOYSA-N -1 3 366.870 3.026 20 0 FGADHM CNC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cc(Cl)ccc2C)c1 ZINC000055620339 494374091 /nfs/dbraw/zinc/37/40/91/494374091.db2.gz OIRSANRKNIBIBM-UHFFFAOYSA-N -1 3 373.261 3.462 20 0 FGADHM O=C(Nc1ccccc1[O-])C1CCN(C(=O)c2cc(F)ccc2F)CC1 ZINC000016112213 494378301 /nfs/dbraw/zinc/37/83/01/494378301.db2.gz DULOZLLYPYTFRB-UHFFFAOYSA-N -1 3 360.360 3.161 20 0 FGADHM Cn1cc([C@@H]2N(C(=O)c3ccc4c(c3[O-])OC(C)(C)C4)CC2(C)C)cn1 ZINC000577380884 505717079 /nfs/dbraw/zinc/71/70/79/505717079.db2.gz LLIYBGZTMPMHRS-KRWDZBQOSA-N -1 3 355.438 3.063 20 0 FGADHM Cc1nc(C)c(CCC(=O)N2CCCC(C)(C)c3ccccc32)c(=O)[n-]1 ZINC000089849756 494380697 /nfs/dbraw/zinc/38/06/97/494380697.db2.gz XWRNWSZYERGSCV-UHFFFAOYSA-N -1 3 353.466 3.424 20 0 FGADHM Cc1cccc(C(=O)N2CCN(C(=O)CCC3CCCCC3)CC2)c1[O-] ZINC000079193464 494416949 /nfs/dbraw/zinc/41/69/49/494416949.db2.gz MIRPFZWDTJFQAJ-UHFFFAOYSA-N -1 3 358.482 3.346 20 0 FGADHM O=C(c1ccc2c(c1)C(=O)[N-]C2=O)N1CCCC[C@@H]1CCc1ccccc1 ZINC000089993967 494421900 /nfs/dbraw/zinc/42/19/00/494421900.db2.gz UUPOOTJAZVHSBA-QGZVFWFLSA-N -1 3 362.429 3.198 20 0 FGADHM Cc1noc(C)c1S(=O)(=O)[N-]Cc1ccccc1OCc1ccccc1 ZINC000056101811 494454393 /nfs/dbraw/zinc/45/43/93/494454393.db2.gz GYOBNSJJAYUIHP-UHFFFAOYSA-N -1 3 372.446 3.349 20 0 FGADHM COc1cccc(C(=O)Nc2cccc(-c3nc(C)cc(=O)[n-]3)c2)c1F ZINC000090202505 494455516 /nfs/dbraw/zinc/45/55/16/494455516.db2.gz HLHRXPUBLXRILD-UHFFFAOYSA-N -1 3 353.353 3.145 20 0 FGADHM O=S(=O)([N-]C[C@H]1CCN(c2ccccc2)C1)c1ccc(Cl)s1 ZINC000045743738 494455616 /nfs/dbraw/zinc/45/56/16/494455616.db2.gz IXUJWSOOAWBLQW-GFCCVEGCSA-N -1 3 356.900 3.206 20 0 FGADHM Cc1ccccc1OCCCN(C)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000056115474 494456628 /nfs/dbraw/zinc/45/66/28/494456628.db2.gz MYSNGRFHLBBHKN-UHFFFAOYSA-N -1 3 350.418 3.378 20 0 FGADHM CCC(CC)c1nnc([N-]C(=O)c2ccc(CNC(C)=O)s2)s1 ZINC000067022897 494457345 /nfs/dbraw/zinc/45/73/45/494457345.db2.gz PJADXROEVBTENU-UHFFFAOYSA-N -1 3 352.485 3.392 20 0 FGADHM O=S(=O)([N-]C[C@@H]1CCCOC1)c1cc(C(F)(F)F)ccc1Cl ZINC000056130251 494459277 /nfs/dbraw/zinc/45/92/77/494459277.db2.gz FXPYWKMPXKEBTL-VIFPVBQESA-N -1 3 357.781 3.064 20 0 FGADHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@H](c2ccccc2C)C(C)C)s1 ZINC000568546437 505719353 /nfs/dbraw/zinc/71/93/53/505719353.db2.gz NBQVCVSEKUQKBP-HNNXBMFYSA-N -1 3 367.496 3.086 20 0 FGADHM Cc1ccc(NC(=O)c2ccccc2[O-])cc1NC(=O)CN1CCCCC1 ZINC000067068791 494468522 /nfs/dbraw/zinc/46/85/22/494468522.db2.gz OGPYPBCOPWIAMG-UHFFFAOYSA-N -1 3 367.449 3.377 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@@H]2CC=CC[C@H]2C)c1-c1ccc2c(c1)OCCO2 ZINC000568548801 505720118 /nfs/dbraw/zinc/72/01/18/505720118.db2.gz OZOPPOURRROUGF-IUODEOHRSA-N -1 3 353.422 3.119 20 0 FGADHM Cc1sc2[n-]c(CS[C@H](C)C(N)=O)nc(=O)c2c1-c1ccc(C)cc1 ZINC000056221363 494473115 /nfs/dbraw/zinc/47/31/15/494473115.db2.gz PEWYLZRVPITXJN-LLVKDONJSA-N -1 3 373.503 3.375 20 0 FGADHM O=C(Nc1ncccc1[O-])C1CCN(c2nc3ccccc3s2)CC1 ZINC000067105592 494476987 /nfs/dbraw/zinc/47/69/87/494476987.db2.gz IJXXYJNWNOSTES-UHFFFAOYSA-N -1 3 354.435 3.252 20 0 FGADHM CC(=O)NCc1ccc(C(=O)Nc2ccc(Br)cc2[O-])s1 ZINC000067163389 494487294 /nfs/dbraw/zinc/48/72/94/494487294.db2.gz JKFKMVINUDMCPE-UHFFFAOYSA-N -1 3 369.240 3.105 20 0 FGADHM COc1ccc(C(=O)N2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)c([O-])c1 ZINC000067177120 494490146 /nfs/dbraw/zinc/49/01/46/494490146.db2.gz YCYBTCNACXFKHQ-QGZVFWFLSA-N -1 3 365.788 3.407 20 0 FGADHM CC(C)n1ncc2c1nc(-c1ccco1)cc2C(=O)[N-]c1nncs1 ZINC000021215766 494491029 /nfs/dbraw/zinc/49/10/29/494491029.db2.gz DEZODQMEBSNOTE-UHFFFAOYSA-N -1 3 354.395 3.376 20 0 FGADHM Cc1cc(Sc2ccccc2)ccc1NC(=O)CC[C@@H]1NC(=O)[N-]C1=O ZINC000056473687 494512128 /nfs/dbraw/zinc/51/21/28/494512128.db2.gz UXJDQYWMJROMKC-INIZCTEOSA-N -1 3 369.446 3.073 20 0 FGADHM CCCc1ccccc1NC(=O)CC[N-]S(=O)(=O)c1ccccc1F ZINC000046302809 494513754 /nfs/dbraw/zinc/51/37/54/494513754.db2.gz IYDGHKLUMQNGCU-UHFFFAOYSA-N -1 3 364.442 3.085 20 0 FGADHM Cc1ccc(NC(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)c([O-])c1 ZINC000022634712 494529720 /nfs/dbraw/zinc/52/97/20/494529720.db2.gz WAXIWKGJJFANAE-UHFFFAOYSA-N -1 3 374.387 3.470 20 0 FGADHM COc1ccc(-c2nc(NC(=O)c3cccc4cc[nH]c43)n[n-]2)c(OC)c1 ZINC000079861776 494538655 /nfs/dbraw/zinc/53/86/55/494538655.db2.gz WJQZPBCVVPRXJC-UHFFFAOYSA-N -1 3 363.377 3.223 20 0 FGADHM O=C(Nc1nnc(-c2ccccn2)[n-]1)c1ccnc(OC2CCCCC2)c1 ZINC000091171981 494548502 /nfs/dbraw/zinc/54/85/02/494548502.db2.gz FJMCLRWHKUPWAV-UHFFFAOYSA-N -1 3 364.409 3.226 20 0 FGADHM O=C(Nc1nc(-c2ccccn2)n[n-]1)c1ccnc(OC2CCCCC2)c1 ZINC000091171981 494548507 /nfs/dbraw/zinc/54/85/07/494548507.db2.gz FJMCLRWHKUPWAV-UHFFFAOYSA-N -1 3 364.409 3.226 20 0 FGADHM O=C(Nc1n[n-]c(-c2ccccn2)n1)c1ccnc(OC2CCCCC2)c1 ZINC000091171981 494548512 /nfs/dbraw/zinc/54/85/12/494548512.db2.gz FJMCLRWHKUPWAV-UHFFFAOYSA-N -1 3 364.409 3.226 20 0 FGADHM COc1ccccc1OCCN1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000079949351 494554920 /nfs/dbraw/zinc/55/49/20/494554920.db2.gz OBSIAICBXCGVQJ-UHFFFAOYSA-N -1 3 355.434 3.375 20 0 FGADHM COc1ccc(C(=O)N(C)Cc2ccc(OC(F)F)c(OC)c2)c([O-])c1 ZINC000023497773 494569266 /nfs/dbraw/zinc/56/92/66/494569266.db2.gz XXVGVEKVDSPEDO-UHFFFAOYSA-N -1 3 367.348 3.283 20 0 FGADHM COC[C@@H](NC(=O)Cc1ccc([O-])cc1Cl)c1ccc(F)c(F)c1 ZINC000091344355 494585932 /nfs/dbraw/zinc/58/59/32/494585932.db2.gz FGALPESYJINGOZ-MRXNPFEDSA-N -1 3 355.768 3.370 20 0 FGADHM CCc1cccc(C(=O)Nc2ccc(C(=O)NC3CCOCC3)cc2)c1[O-] ZINC000092429406 494625228 /nfs/dbraw/zinc/62/52/28/494625228.db2.gz ANWUVNDHMDVKRD-UHFFFAOYSA-N -1 3 368.433 3.116 20 0 FGADHM C[C@@H](c1ccncc1)N1CCC(NC(=O)c2ccc(Cl)cc2[O-])CC1 ZINC000121176733 494631286 /nfs/dbraw/zinc/63/12/86/494631286.db2.gz YRFPMSUJOODKPI-ZDUSSCGKSA-N -1 3 359.857 3.396 20 0 FGADHM C[C@@H](C(=O)Nc1ccccc1Br)[S@@](=O)c1ccc([O-])cc1 ZINC000108084303 494643407 /nfs/dbraw/zinc/64/34/07/494643407.db2.gz GLUBEBVTBQAVST-CWKPULSASA-N -1 3 368.252 3.290 20 0 FGADHM C[C@@]1(c2cccc(NC(=O)Cc3ccc4ccccc4c3)c2)NC(=O)[N-]C1=O ZINC000047167064 494648307 /nfs/dbraw/zinc/64/83/07/494648307.db2.gz ODWRYBUJTQBVFK-QFIPXVFZSA-N -1 3 373.412 3.076 20 0 FGADHM Cn1cnnc1[C@@H]1CCCN1C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000091700446 494651864 /nfs/dbraw/zinc/65/18/64/494651864.db2.gz BLMHLTWWRAELEY-SFHVURJKSA-N -1 3 362.433 3.089 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1c(F)cccc1F)c1cccc(-n2cccn2)c1 ZINC000074972950 494665492 /nfs/dbraw/zinc/66/54/92/494665492.db2.gz KOXVVYLVNHCALD-GFCCVEGCSA-N -1 3 363.389 3.190 20 0 FGADHM Cc1ccc(F)c(S(=O)(=O)[N-][C@H](C)c2cccc(-n3cccn3)c2)c1 ZINC000074973096 494666209 /nfs/dbraw/zinc/66/62/09/494666209.db2.gz YFFGMZUYTDPLAL-CQSZACIVSA-N -1 3 359.426 3.359 20 0 FGADHM O=C(Nc1ccccc1)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000047268054 494668571 /nfs/dbraw/zinc/66/85/71/494668571.db2.gz RRVNVBRRJZXYCG-UHFFFAOYSA-N -1 3 359.382 3.207 20 0 FGADHM Cc1ccc(SCC(=O)Nc2ccccc2[N-]S(C)(=O)=O)cc1 ZINC000024885693 494675082 /nfs/dbraw/zinc/67/50/82/494675082.db2.gz GPRXZIGFBUZOPJ-UHFFFAOYSA-N -1 3 350.465 3.097 20 0 FGADHM CC(C)COc1ccc(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)cc1 ZINC000024883790 494675092 /nfs/dbraw/zinc/67/50/92/494675092.db2.gz ZZAZXXNAVGUKRK-UHFFFAOYSA-N -1 3 362.451 3.345 20 0 FGADHM Cc1ccc([N-]S(=O)(=O)c2cc3ccccc3o2)c(OCCN(C)C)c1 ZINC000131615425 494675514 /nfs/dbraw/zinc/67/55/14/494675514.db2.gz ZTXJOFGYGVUNRL-UHFFFAOYSA-N -1 3 374.462 3.482 20 0 FGADHM Cc1cc(=O)[nH]c(-c2cccc([N-]S(=O)(=O)c3ccc(C)c(C)c3)c2)n1 ZINC000047328438 494682158 /nfs/dbraw/zinc/68/21/58/494682158.db2.gz XMKHVJRAISXBIZ-UHFFFAOYSA-N -1 3 369.446 3.163 20 0 FGADHM Cc1cc([N-]C(=O)[C@@H](C)N2CCC(OCc3ccccc3C)CC2)on1 ZINC000091813888 494688955 /nfs/dbraw/zinc/68/89/55/494688955.db2.gz AYRAKQBWHKERJB-MRXNPFEDSA-N -1 3 357.454 3.300 20 0 FGADHM CC[C@@H](NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)c1cccs1 ZINC000057242277 494689862 /nfs/dbraw/zinc/68/98/62/494689862.db2.gz BHZQNZASEJHFIE-MRXNPFEDSA-N -1 3 373.478 3.072 20 0 FGADHM CC[C@H]1CN(c2c(C(=O)[O-])cnc3ccc(C)cc32)CCN1CC(F)F ZINC000577495646 505739743 /nfs/dbraw/zinc/73/97/43/505739743.db2.gz AIFHLHQMWANUQK-ZDUSSCGKSA-N -1 3 363.408 3.407 20 0 FGADHM COCCOC[C@H]1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000075196254 494703673 /nfs/dbraw/zinc/70/36/73/494703673.db2.gz WBUWLECTAVVWOA-IBGZPJMESA-N -1 3 369.461 3.108 20 0 FGADHM COc1ccc(C(=O)N2CCC([C@@H](O)c3ccc(F)cc3)CC2)c([O-])c1 ZINC000108458466 494712173 /nfs/dbraw/zinc/71/21/73/494712173.db2.gz GITWVHIGNSXBMZ-IBGZPJMESA-N -1 3 359.397 3.126 20 0 FGADHM Cc1cc([N-]C(=O)[C@H](C)N(C)Cc2ccccc2OC(F)(F)F)on1 ZINC000025255248 494714701 /nfs/dbraw/zinc/71/47/01/494714701.db2.gz AYLNNMSKZAHDEQ-NSHDSACASA-N -1 3 357.332 3.341 20 0 FGADHM COc1ccc(-n2nc(C(=O)[N-]c3nc(SC)ns3)cc2C)cc1 ZINC000092716388 494724287 /nfs/dbraw/zinc/72/42/87/494724287.db2.gz LMSZPBGMKNXTCM-UHFFFAOYSA-N -1 3 361.452 3.015 20 0 FGADHM CO[C@H](C[N-]S(=O)(=O)c1cc(F)ccc1Cl)c1ccc(F)cc1 ZINC000080614082 494746628 /nfs/dbraw/zinc/74/66/28/494746628.db2.gz YYFUWKKJZYXQHO-CQSZACIVSA-N -1 3 361.797 3.284 20 0 FGADHM Cc1cc(=O)n(C)cc1NC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000091992761 494747935 /nfs/dbraw/zinc/74/79/35/494747935.db2.gz KEVMCDJAZYFEPL-UHFFFAOYSA-N -1 3 364.401 3.231 20 0 FGADHM COc1ccc(OC)c(CC(=O)Nc2cc(Br)ccc2[O-])c1 ZINC000126441345 494751591 /nfs/dbraw/zinc/75/15/91/494751591.db2.gz XYVISXUNQPMHAA-UHFFFAOYSA-N -1 3 366.211 3.353 20 0 FGADHM CCCS(=O)(=O)[N-]c1ccc(C(=O)Nc2cc(CC)ccc2O)cc1 ZINC000080656094 494756251 /nfs/dbraw/zinc/75/62/51/494756251.db2.gz XSZYTCGSUFWLGW-UHFFFAOYSA-N -1 3 362.451 3.359 20 0 FGADHM Cc1cc(-n2cncn2)ccc1C(=O)Nc1cc(Br)ccc1[O-] ZINC000126494670 494769972 /nfs/dbraw/zinc/76/99/72/494769972.db2.gz FWTPCWYNZSMVIG-UHFFFAOYSA-N -1 3 373.210 3.296 20 0 FGADHM CC[C@H](c1ccc(Br)cc1)N1CCN(CCCC(=O)[O-])CC1 ZINC000116392850 494771815 /nfs/dbraw/zinc/77/18/15/494771815.db2.gz JLWYNXIDVWGSBO-MRXNPFEDSA-N -1 3 369.303 3.383 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N3CCc4cc(F)ccc4C3)c[n-]c12 ZINC000092095921 494786270 /nfs/dbraw/zinc/78/62/70/494786270.db2.gz CKDXJMPBHZEIOZ-UHFFFAOYSA-N -1 3 354.356 3.313 20 0 FGADHM CN(C)CCN(CC(=O)[O-])C(=O)c1cc2cc(C(F)(F)F)ccc2s1 ZINC000577508473 505741783 /nfs/dbraw/zinc/74/17/83/505741783.db2.gz IYUVMARSQNUYHL-UHFFFAOYSA-N -1 3 374.384 3.009 20 0 FGADHM O=C(Nc1ccc(OCC(F)(F)C(F)F)nc1)c1c([O-])cccc1O ZINC000092121124 494795805 /nfs/dbraw/zinc/79/58/05/494795805.db2.gz ARPCSERXFPPEKK-UHFFFAOYSA-N -1 3 360.263 3.024 20 0 FGADHM CCOCCC1(C(=O)NCc2ccc([O-])c(Br)c2)CCC1 ZINC000132010739 494798642 /nfs/dbraw/zinc/79/86/42/494798642.db2.gz UTKGWHBUZFFLOA-UHFFFAOYSA-N -1 3 356.260 3.368 20 0 FGADHM Cc1sc2[n-]c(CN(C)[C@@H](C)CO)nc(=O)c2c1-c1ccc(C)cc1 ZINC000132026443 494802200 /nfs/dbraw/zinc/80/22/00/494802200.db2.gz UMVLWBYNGVPADH-LBPRGKRZSA-N -1 3 357.479 3.081 20 0 FGADHM C[S@@](=O)c1ccc(C(=O)Nc2ccc(Br)cc2[O-])cc1 ZINC000075664629 494810513 /nfs/dbraw/zinc/81/05/13/494810513.db2.gz ZCXDBUCUCKQDFU-FQEVSTJZSA-N -1 3 354.225 3.144 20 0 FGADHM O=C(N[C@H]1C[C@H](c2cc(F)cc(F)c2)C1)c1c[n-]nc1-c1ccccn1 ZINC000580372640 505743428 /nfs/dbraw/zinc/74/34/28/505743428.db2.gz XBTNHBBEFIRKDE-NNUKFRKNSA-N -1 3 354.360 3.426 20 0 FGADHM COC(=O)c1sc2[n-]c(CN(C)[C@@H]3CCC[C@@H](C)C3)nc(=O)c2c1C ZINC000026469882 494827108 /nfs/dbraw/zinc/82/71/08/494827108.db2.gz SSUIOCWNVJVHMX-ZYHUDNBSSA-N -1 3 363.483 3.090 20 0 FGADHM CCN(Cc1ccccc1)C(=O)CNC(=O)c1ccc(C(C)C)cc1[O-] ZINC000109127744 494835876 /nfs/dbraw/zinc/83/58/76/494835876.db2.gz NBVDHZVQEQQETJ-UHFFFAOYSA-N -1 3 354.450 3.294 20 0 FGADHM Cc1ccc([C@H]2CCCCN2C(=O)CCc2c(C)nc(C)[n-]c2=O)cc1 ZINC000126800953 494840270 /nfs/dbraw/zinc/84/02/70/494840270.db2.gz YAOBJKRWJLXXLT-LJQANCHMSA-N -1 3 353.466 3.382 20 0 FGADHM COc1ccc(Br)cc1S(=O)(=O)[N-][C@H]1CCC[C@H](C)C1 ZINC000026875167 494843254 /nfs/dbraw/zinc/84/32/54/494843254.db2.gz CPBWVCJJIVCPKK-JQWIXIFHSA-N -1 3 362.289 3.315 20 0 FGADHM COc1ccccc1S[C@@H](C)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000109263180 494852584 /nfs/dbraw/zinc/85/25/84/494852584.db2.gz CBBWBTWCIQCOFT-LBPRGKRZSA-N -1 3 365.476 3.430 20 0 FGADHM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C)c2ncc(C)s2)c1 ZINC000132330440 494858147 /nfs/dbraw/zinc/85/81/47/494858147.db2.gz IEYWCJQWJSPHMC-VIFPVBQESA-N -1 3 358.872 3.347 20 0 FGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]C[C@H]3CCC[C@@H](O)C3)s2)cs1 ZINC000121758616 494854460 /nfs/dbraw/zinc/85/44/60/494854460.db2.gz SUKVYPCQBKKQNM-NWDGAFQWSA-N -1 3 372.537 3.009 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N(Cc2ccco2)Cc2ccco2)c1 ZINC000121783348 494859563 /nfs/dbraw/zinc/85/95/63/494859563.db2.gz OJIDJQDEGGTMGV-UHFFFAOYSA-N -1 3 354.362 3.379 20 0 FGADHM Cn1ncc2ccc(C[N-]S(=O)(=O)c3c(Cl)cccc3Cl)cc21 ZINC000580386516 505746631 /nfs/dbraw/zinc/74/66/31/505746631.db2.gz BDZKVEMZMKPRTQ-UHFFFAOYSA-N -1 3 370.261 3.359 20 0 FGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)c1coc(-c2ccccc2)n1 ZINC000093314220 494866531 /nfs/dbraw/zinc/86/65/31/494866531.db2.gz RFEDYGPPVNGBQV-UHFFFAOYSA-N -1 3 355.350 3.321 20 0 FGADHM CCCOc1cccc(CC(=O)[N-]c2oc(CC)nc2C(=O)OCC)c1 ZINC000093317219 494867236 /nfs/dbraw/zinc/86/72/36/494867236.db2.gz MINSRKMSRXOWCB-UHFFFAOYSA-N -1 3 360.410 3.384 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1)c1nc(-c2cccs2)no1 ZINC000109460655 494878494 /nfs/dbraw/zinc/87/84/94/494878494.db2.gz CCEXERGFOIMSEB-SECBINFHSA-N -1 3 369.855 3.491 20 0 FGADHM CC(C)Cc1noc(-c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)n1 ZINC000109560759 494890057 /nfs/dbraw/zinc/89/00/57/494890057.db2.gz RRVPUOAXRXSNCV-UHFFFAOYSA-N -1 3 364.402 3.203 20 0 FGADHM CC(C)[C@@H](Sc1n[n-]c(-c2ccccn2)n1)C(=O)N1CCC[C@H](C)C1 ZINC000117114471 494891747 /nfs/dbraw/zinc/89/17/47/494891747.db2.gz BXJHVWQKQPJZGF-DZGCQCFKSA-N -1 3 359.499 3.242 20 0 FGADHM O=C(CSc1n[n-]c(-c2ccccn2)n1)N[C@@H](c1ccccc1)C1CC1 ZINC000117115072 494893024 /nfs/dbraw/zinc/89/30/24/494893024.db2.gz WSPSIUOWCZXHJQ-KRWDZBQOSA-N -1 3 365.462 3.226 20 0 FGADHM Cc1ccc(S(=O)(=O)NCc2ccc([O-])c(Br)c2)c(F)c1 ZINC000127268696 494919924 /nfs/dbraw/zinc/91/99/24/494919924.db2.gz IBSPQFHBRVHJJV-UHFFFAOYSA-N -1 3 374.231 3.081 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]c2ccc(OCCN(C)C)cc2)c(C)s1 ZINC000093867975 494928394 /nfs/dbraw/zinc/92/83/94/494928394.db2.gz SBGNECALNJMLAN-UHFFFAOYSA-N -1 3 354.497 3.106 20 0 FGADHM O=C(CCc1ccc2ccccc2c1)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000109875934 494928582 /nfs/dbraw/zinc/92/85/82/494928582.db2.gz QVRZDMJDVRBCNU-UHFFFAOYSA-N -1 3 357.417 3.269 20 0 FGADHM O=C(CCc1ccc2ccccc2c1)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000109875934 494928585 /nfs/dbraw/zinc/92/85/85/494928585.db2.gz QVRZDMJDVRBCNU-UHFFFAOYSA-N -1 3 357.417 3.269 20 0 FGADHM Cc1cc(F)c(S(=O)(=O)[N-][C@H](c2nc(C3CC3)no2)C(C)C)cc1F ZINC000122144970 494930630 /nfs/dbraw/zinc/93/06/30/494930630.db2.gz JMHXHATZUXZACQ-AWEZNQCLSA-N -1 3 371.409 3.209 20 0 FGADHM Cc1ccc(C(=O)N(C)[C@@H]2CCN(c3ccccc3Cl)C2=O)c([O-])c1 ZINC000109967310 494935353 /nfs/dbraw/zinc/93/53/53/494935353.db2.gz BNVZUKIKELGLTL-MRXNPFEDSA-N -1 3 358.825 3.232 20 0 FGADHM Cc1cccc(OC[C@@H](C)NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)c1 ZINC000122191895 494937852 /nfs/dbraw/zinc/93/78/52/494937852.db2.gz BELHGGIFVOAIRM-CQSZACIVSA-N -1 3 368.408 3.481 20 0 FGADHM CNC(=O)c1cccc(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)c1C ZINC000093962851 494938583 /nfs/dbraw/zinc/93/85/83/494938583.db2.gz FZSJYNMDNDWHFG-UHFFFAOYSA-N -1 3 354.406 3.026 20 0 FGADHM CCc1nc([N-]C(=O)c2cc(F)c(F)c(F)c2F)sc1C(=O)OC ZINC000127433411 494943973 /nfs/dbraw/zinc/94/39/73/494943973.db2.gz FZHTYBPGKCCGAO-UHFFFAOYSA-N -1 3 362.304 3.301 20 0 FGADHM CCc1cccc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccccc2F)c1[O-] ZINC000094100422 494948753 /nfs/dbraw/zinc/94/87/53/494948753.db2.gz LHRHHMZEDRXADO-MRXNPFEDSA-N -1 3 374.437 3.248 20 0 FGADHM O=S(=O)([N-]C1(c2ccc(Cl)cc2)CCOCC1)c1ccccc1F ZINC000122272517 494949555 /nfs/dbraw/zinc/94/95/55/494949555.db2.gz XKRQHPYNFQRKPK-UHFFFAOYSA-N -1 3 369.845 3.463 20 0 FGADHM O=C(COc1ccc2ccccc2c1)[N-]c1nncn1Cc1ccccc1 ZINC000117735591 494950531 /nfs/dbraw/zinc/95/05/31/494950531.db2.gz AJRRCWBDRIKZGN-UHFFFAOYSA-N -1 3 358.401 3.497 20 0 FGADHM CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1cc(F)ccc1[O-] ZINC000094127239 494952758 /nfs/dbraw/zinc/95/27/58/494952758.db2.gz YRLFKGIKLFUDDX-QGZVFWFLSA-N -1 3 357.429 3.053 20 0 FGADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1csc(Cc2ccccc2F)n1 ZINC000117763826 494953876 /nfs/dbraw/zinc/95/38/76/494953876.db2.gz GYZMWHUKUYRKQS-UHFFFAOYSA-N -1 3 371.319 3.262 20 0 FGADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1csc(Cc2ccccc2F)n1 ZINC000117763826 494953878 /nfs/dbraw/zinc/95/38/78/494953878.db2.gz GYZMWHUKUYRKQS-UHFFFAOYSA-N -1 3 371.319 3.262 20 0 FGADHM CCc1nc([N-]C(=O)c2coc(-c3ccccc3)n2)sc1C(=O)OC ZINC000127509859 494954522 /nfs/dbraw/zinc/95/45/22/494954522.db2.gz LTYFNURGVRGGEJ-UHFFFAOYSA-N -1 3 357.391 3.399 20 0 FGADHM Cc1cc(F)c(S(=O)(=O)[N-]Cc2nc(C(F)(F)F)cs2)cc1F ZINC000122305642 494954787 /nfs/dbraw/zinc/95/47/87/494954787.db2.gz GBKDUOFOLNQWCN-UHFFFAOYSA-N -1 3 372.340 3.227 20 0 FGADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCN(CC2CC2)CC1 ZINC000110228997 494960127 /nfs/dbraw/zinc/96/01/27/494960127.db2.gz OTDXXBKTLQRIDF-UHFFFAOYSA-N -1 3 350.462 3.151 20 0 FGADHM Clc1ccc2c(c1)N(Cc1nc(-c3ccc4n[n-]nc4c3)no1)CCO2 ZINC000577563711 505752996 /nfs/dbraw/zinc/75/29/96/505752996.db2.gz UDHDJAOBWMWNET-UHFFFAOYSA-N -1 3 368.784 3.060 20 0 FGADHM CC(C)[C@H](Sc1ccccc1)C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000110787880 495010102 /nfs/dbraw/zinc/01/01/02/495010102.db2.gz PWWQJTZGAJGQIU-KRWDZBQOSA-N -1 3 367.478 3.300 20 0 FGADHM CC(C)[C@H](Sc1ccccc1)C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000110787880 495010103 /nfs/dbraw/zinc/01/01/03/495010103.db2.gz PWWQJTZGAJGQIU-KRWDZBQOSA-N -1 3 367.478 3.300 20 0 FGADHM O=C(N[C@@H](c1ccccc1)c1ccncc1)c1c[n-]c2ccccc2c1=O ZINC000097106184 495024197 /nfs/dbraw/zinc/02/41/97/495024197.db2.gz RDKWYXDPXKIFSX-FQEVSTJZSA-N -1 3 355.397 3.443 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC(C4CCOCC4)CC3)nc2)n1 ZINC000133541542 495026597 /nfs/dbraw/zinc/02/65/97/495026597.db2.gz VGCBMTPUVDZILN-UHFFFAOYSA-N -1 3 368.481 3.037 20 0 FGADHM O=S(=O)([N-]c1ccc(Cl)cc1Br)c1cncc(F)c1 ZINC000128008680 495030647 /nfs/dbraw/zinc/03/06/47/495030647.db2.gz URRNIHCNYMSQJS-UHFFFAOYSA-N -1 3 365.611 3.437 20 0 FGADHM 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CC1(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)CCC1 ZINC000125793016 495499870 /nfs/dbraw/zinc/49/98/70/495499870.db2.gz NRVSQGYPEMLJHF-UHFFFAOYSA-N -1 3 362.426 3.299 20 0 FGADHM COc1cccc(C(=O)Nc2nnc(Cc3cccc(F)c3)s2)c1[O-] ZINC000107165785 495523018 /nfs/dbraw/zinc/52/30/18/495523018.db2.gz ONYBVCBKLCRKKM-UHFFFAOYSA-N -1 3 359.382 3.235 20 0 FGADHM COc1ccc(-c2ccc(C(=O)[N-]N3CCCCC3=O)c(F)c2)c(F)c1 ZINC000107241041 495524110 /nfs/dbraw/zinc/52/41/10/495524110.db2.gz XGIFTIRNMOPAJJ-UHFFFAOYSA-N -1 3 360.360 3.298 20 0 FGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2ccc3[nH]ccc3c2)cc1OC ZINC000107564054 495528908 /nfs/dbraw/zinc/52/89/08/495528908.db2.gz FBNDNAGEUDXPDC-UHFFFAOYSA-N -1 3 373.434 3.190 20 0 FGADHM CC(C)c1nc([C@@H]2CCCCCN2C(=O)c2cc(=O)[n-]c(C3CC3)n2)no1 ZINC000577766693 505788640 /nfs/dbraw/zinc/78/86/40/505788640.db2.gz HAWBMMRZIYAOMB-AWEZNQCLSA-N -1 3 371.441 3.324 20 0 FGADHM CC(C)c1nc([C@H]2CCCCCN2C(=O)c2cc(=O)[n-]c(C3CC3)n2)no1 ZINC000577766694 505788677 /nfs/dbraw/zinc/78/86/77/505788677.db2.gz HAWBMMRZIYAOMB-CQSZACIVSA-N -1 3 371.441 3.324 20 0 FGADHM Cc1nc(C)c(CC(=O)N[C@H](CC2CCCC2)c2ccccc2)c(=O)[n-]1 ZINC000154233500 495552677 /nfs/dbraw/zinc/55/26/77/495552677.db2.gz JGXOELZNQJFTON-LJQANCHMSA-N -1 3 353.466 3.367 20 0 FGADHM Cc1cc(F)ccc1-n1cc(C(=O)[N-]c2cc(F)c(F)cc2F)nn1 ZINC000179393282 495574574 /nfs/dbraw/zinc/57/45/74/495574574.db2.gz KYXOCSJIQKEVDJ-UHFFFAOYSA-N -1 3 350.275 3.384 20 0 FGADHM C[C@H](O)CC(C)(C)C[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000182476438 495577743 /nfs/dbraw/zinc/57/77/43/495577743.db2.gz XSNGJHDQDAPVJQ-VIFPVBQESA-N -1 3 373.824 3.434 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)N(CCO)[C@@H]1CCCc2ccccc21 ZINC000176289809 495581155 /nfs/dbraw/zinc/58/11/55/495581155.db2.gz BNGZMUFQUMVLTE-GOSISDBHSA-N -1 3 358.413 3.113 20 0 FGADHM Cc1cccc(C2(CNC(=O)CCc3c(C)nc(C)[n-]c3=O)CCCC2)c1 ZINC000170725088 495581204 /nfs/dbraw/zinc/58/12/04/495581204.db2.gz CJBUYSJKGNLWCN-UHFFFAOYSA-N -1 3 367.493 3.256 20 0 FGADHM CC(C)c1cccc(-n2cc([O-])c(C(=O)N3C[C@H]4CCCN4C[C@H]3C)n2)c1 ZINC000176295241 495584740 /nfs/dbraw/zinc/58/47/40/495584740.db2.gz YTCKNGWVTORIQY-CRAIPNDOSA-N -1 3 368.481 3.010 20 0 FGADHM O=c1cc(-c2noc([C@H]3C[C@H]3c3ccccc3OC(F)(F)F)n2)nc[n-]1 ZINC000574518663 505791250 /nfs/dbraw/zinc/79/12/50/505791250.db2.gz PZTZLLMRCFILRJ-UWVGGRQHSA-N -1 3 364.283 3.402 20 0 FGADHM C[C@H](NCc1cc([O-])cc(F)c1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000185518371 495607505 /nfs/dbraw/zinc/60/75/05/495607505.db2.gz OKORDFRZTDNQBW-AWEZNQCLSA-N -1 3 361.436 3.273 20 0 FGADHM Cc1ccc([O-])c(C(=O)N2CCCC[C@H]2CNC(=O)c2ccccc2)c1 ZINC000173638558 495627471 /nfs/dbraw/zinc/62/74/71/495627471.db2.gz MMCFCAZOHSFQTR-KRWDZBQOSA-N -1 3 352.434 3.125 20 0 FGADHM COCc1cccc(S(=O)(=O)[N-]c2ccc3nc(C(F)F)[nH]c3c2)c1 ZINC000179533685 495632207 /nfs/dbraw/zinc/63/22/07/495632207.db2.gz FUWOVJIIIVMVAF-UHFFFAOYSA-N -1 3 367.377 3.448 20 0 FGADHM O=S(=O)([N-]Cc1cccs1)c1ccc(Br)cc1F ZINC000154497084 495634871 /nfs/dbraw/zinc/63/48/71/495634871.db2.gz GSTDBGMTORZTTC-UHFFFAOYSA-N -1 3 350.234 3.128 20 0 FGADHM Cc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3c(C)cccc3[O-])C2)cc1 ZINC000179553499 495638009 /nfs/dbraw/zinc/63/80/09/495638009.db2.gz PBQQDCAARQXBQI-KRWDZBQOSA-N -1 3 352.434 3.500 20 0 FGADHM COC(=O)CCc1csc([N-]C(=O)c2c(F)c(F)cc(F)c2F)n1 ZINC000159019872 495639462 /nfs/dbraw/zinc/63/94/62/495639462.db2.gz SRVUIWJYRNKZID-UHFFFAOYSA-N -1 3 362.304 3.057 20 0 FGADHM COC(=O)c1cncc(NC(=O)c2c[n-]nc2-c2ccc(Cl)cc2)c1 ZINC000179558917 495640552 /nfs/dbraw/zinc/64/05/52/495640552.db2.gz GZUMMMZSPLUQFO-UHFFFAOYSA-N -1 3 356.769 3.164 20 0 FGADHM COc1ccc(OC)c(C(=O)Nc2cc(Br)ccc2[O-])c1 ZINC000176431811 495648530 /nfs/dbraw/zinc/64/85/30/495648530.db2.gz FXLSIQMZAKLJBR-UHFFFAOYSA-N -1 3 352.184 3.424 20 0 FGADHM COc1cc(OC)cc(C(=O)Nc2cc(Br)ccc2[O-])c1 ZINC000176438834 495650960 /nfs/dbraw/zinc/65/09/60/495650960.db2.gz IHBYWKXJFSYDRD-UHFFFAOYSA-N -1 3 352.184 3.424 20 0 FGADHM Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000173747607 495675297 /nfs/dbraw/zinc/67/52/97/495675297.db2.gz KTNQFUXQLIVAGO-UHFFFAOYSA-N -1 3 370.722 3.223 20 0 FGADHM Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000173747607 495675302 /nfs/dbraw/zinc/67/53/02/495675302.db2.gz KTNQFUXQLIVAGO-UHFFFAOYSA-N -1 3 370.722 3.223 20 0 FGADHM CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1cc(F)ccc1[O-] ZINC000179652230 495677153 /nfs/dbraw/zinc/67/71/53/495677153.db2.gz ZZHRTVXAUKDXKD-ACJLOTCBSA-N -1 3 370.424 3.469 20 0 FGADHM COC(=O)C1CCC(C(=O)Nc2cc(Br)ccc2[O-])CC1 ZINC000182774538 495697568 /nfs/dbraw/zinc/69/75/68/495697568.db2.gz UFKDWMPUIJXPAR-UHFFFAOYSA-N -1 3 356.216 3.073 20 0 FGADHM Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)c2cccc3nn[n-]c32)cc1 ZINC000182790713 495703927 /nfs/dbraw/zinc/70/39/27/495703927.db2.gz JEPSRMHHVBXBTQ-BEFAXECRSA-N -1 3 350.422 3.164 20 0 FGADHM Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)c2cccc3[n-]nnc32)cc1 ZINC000182790713 495703929 /nfs/dbraw/zinc/70/39/29/495703929.db2.gz JEPSRMHHVBXBTQ-BEFAXECRSA-N -1 3 350.422 3.164 20 0 FGADHM Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)c2cccc3n[n-]nc32)cc1 ZINC000182790713 495703931 /nfs/dbraw/zinc/70/39/31/495703931.db2.gz JEPSRMHHVBXBTQ-BEFAXECRSA-N -1 3 350.422 3.164 20 0 FGADHM CC(C)[C@@H]([N-]S(=O)(=O)C[C@@H](C)c1ccccc1)c1nc(C2CC2)no1 ZINC000150997210 495706852 /nfs/dbraw/zinc/70/68/52/495706852.db2.gz XHSOUXAUAHNSGR-CZUORRHYSA-N -1 3 363.483 3.367 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NC2C[C@H](C)C[C@@H](C)C2)c1 ZINC000182815624 495713908 /nfs/dbraw/zinc/71/39/08/495713908.db2.gz SDNHKUAUSIZTNA-VXGBXAGGSA-N -1 3 371.437 3.495 20 0 FGADHM O=C(NCCCNC(=O)c1cccc([O-])c1)c1csc2ccccc12 ZINC000171091470 495720509 /nfs/dbraw/zinc/72/05/09/495720509.db2.gz ZTEVSAHPUDMUBU-UHFFFAOYSA-N -1 3 354.431 3.157 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)[C@H](SC)c3ccccc3)[n-]c21 ZINC000179775127 495730024 /nfs/dbraw/zinc/73/00/24/495730024.db2.gz XJAXAOKWYAHYJK-OAHLLOKOSA-N -1 3 355.419 3.392 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@H](SC)c3ccccc3)nc21 ZINC000179775127 495730032 /nfs/dbraw/zinc/73/00/32/495730032.db2.gz XJAXAOKWYAHYJK-OAHLLOKOSA-N -1 3 355.419 3.392 20 0 FGADHM CN(C[C@H]1CCC[C@@H]1O)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000154841968 495745672 /nfs/dbraw/zinc/74/56/72/495745672.db2.gz YETCRMACDHCTJT-QUCCMNQESA-N -1 3 353.462 3.410 20 0 FGADHM O=C(c1ccccc1)N1CCC[C@@H](C(=O)N2CCCc3cccc([O-])c32)C1 ZINC000182913104 495753635 /nfs/dbraw/zinc/75/36/35/495753635.db2.gz VUBWCTXDSYEHDP-GOSISDBHSA-N -1 3 364.445 3.224 20 0 FGADHM O=S(=O)([N-]c1cc(F)c(F)cc1Cl)c1cccc2c1OCCO2 ZINC000176725812 495764747 /nfs/dbraw/zinc/76/47/47/495764747.db2.gz DHVAFCLOSDSLAU-UHFFFAOYSA-N -1 3 361.753 3.190 20 0 FGADHM Cc1cc(CN2CCC([N-]S(=O)(=O)c3cccs3)CC2)ccc1F ZINC000179872341 495766322 /nfs/dbraw/zinc/76/63/22/495766322.db2.gz MCJXRXFAJHPSBT-UHFFFAOYSA-N -1 3 368.499 3.139 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1ccc2c(c1)OCO2)c1ncc(-c2ccccc2)o1 ZINC000182947485 495770908 /nfs/dbraw/zinc/77/09/08/495770908.db2.gz QXCMANTYMHJWGG-GFCCVEGCSA-N -1 3 372.402 3.110 20 0 FGADHM CCOc1cc(C(=O)Nc2cc(C)ccc2[N-]S(C)(=O)=O)ccc1C ZINC000173977477 495771448 /nfs/dbraw/zinc/77/14/48/495771448.db2.gz CUHIXPARDTXBJH-UHFFFAOYSA-N -1 3 362.451 3.326 20 0 FGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)c2ccc(-n3cccc3)cc2)c1 ZINC000173981131 495774186 /nfs/dbraw/zinc/77/41/86/495774186.db2.gz WJKSTBZBWMIQQF-UHFFFAOYSA-N -1 3 369.446 3.410 20 0 FGADHM COCCC1(C(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)CCCC1 ZINC000151220003 495775905 /nfs/dbraw/zinc/77/59/05/495775905.db2.gz ADXDZXVSWGMVAQ-UHFFFAOYSA-N -1 3 374.481 3.166 20 0 FGADHM C[C@@H]1CCC[C@@H](OCC(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)C1 ZINC000151239123 495781025 /nfs/dbraw/zinc/78/10/25/495781025.db2.gz WIEHNZRESOOSQZ-NVXWUHKLSA-N -1 3 374.481 3.165 20 0 FGADHM COC(=O)c1cc([N-]C(=O)c2ncccc2C(F)(F)F)c(F)cc1F ZINC000179944721 495795203 /nfs/dbraw/zinc/79/52/03/495795203.db2.gz XJWDADDAUXUBRP-UHFFFAOYSA-N -1 3 360.238 3.418 20 0 FGADHM Cc1cccc(OCCNC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)c1 ZINC000154997506 495799344 /nfs/dbraw/zinc/79/93/44/495799344.db2.gz LLVLTLSXSNLUPI-UHFFFAOYSA-N -1 3 354.381 3.093 20 0 FGADHM Cc1cccc([O-])c1NC(=O)CNC(=O)CC12CC3CC(CC(C3)C1)C2 ZINC000183054632 495816157 /nfs/dbraw/zinc/81/61/57/495816157.db2.gz PWPWPUXJJRATFX-UHFFFAOYSA-N -1 3 356.466 3.362 20 0 FGADHM O=C(c1ccc2c(c1[O-])CCCC2)N1CCC(OC[C@H]2CCCO2)CC1 ZINC000183070747 495821936 /nfs/dbraw/zinc/82/19/36/495821936.db2.gz LDPYNWLCDKJSFK-QGZVFWFLSA-N -1 3 359.466 3.071 20 0 FGADHM Cc1cc(C)n(-c2ccc(C(F)(F)F)cc2[N-]S(=O)(=O)C2CC2)n1 ZINC000171335177 495825788 /nfs/dbraw/zinc/82/57/88/495825788.db2.gz PCUWUDZGRUJDQJ-UHFFFAOYSA-N -1 3 359.373 3.412 20 0 FGADHM C[C@H](CS(=O)(=O)[N-]Cc1nc(C(F)(F)F)cs1)c1ccccc1 ZINC000151486176 495854109 /nfs/dbraw/zinc/85/41/09/495854109.db2.gz DDLOFBQJLJPTAD-SNVBAGLBSA-N -1 3 364.414 3.385 20 0 FGADHM Cc1csc(C[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)n1 ZINC000171416181 495865808 /nfs/dbraw/zinc/86/58/08/495865808.db2.gz NDMRTXYDFCMDLR-UHFFFAOYSA-N -1 3 354.350 3.088 20 0 FGADHM Cc1cnc([C@@H](C)CNC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)s1 ZINC000183193584 495875664 /nfs/dbraw/zinc/87/56/64/495875664.db2.gz IXZNQXPJKWFZFY-JTQLQIEISA-N -1 3 359.426 3.274 20 0 FGADHM CC(=O)c1csc(C(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000151559141 495878559 /nfs/dbraw/zinc/87/85/59/495878559.db2.gz SVZKEQOXPYFCHC-UHFFFAOYSA-N -1 3 354.225 3.349 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1ccc2c(c1)CCO2)c1ncc(-c2ccccc2)o1 ZINC000151566653 495880862 /nfs/dbraw/zinc/88/08/62/495880862.db2.gz KOAXSMVUZCYULB-CYBMUJFWSA-N -1 3 370.430 3.316 20 0 FGADHM COc1ccccc1-c1nc(NC(=O)c2cc(CC(C)C)[nH]c(=O)c2)n[n-]1 ZINC000180153436 495882135 /nfs/dbraw/zinc/88/21/35/495882135.db2.gz ONKZLHRFUCEZJH-UHFFFAOYSA-N -1 3 367.409 3.032 20 0 FGADHM O=S(=O)([N-]CCC[C@@H]1CCCCO1)c1ccccc1C(F)(F)F ZINC000186174416 495884388 /nfs/dbraw/zinc/88/43/88/495884388.db2.gz AAJXHOAKUOZBGI-LBPRGKRZSA-N -1 3 351.390 3.333 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]c2ccncc2F)c(C)cc1Br ZINC000180168256 495889322 /nfs/dbraw/zinc/88/93/22/495889322.db2.gz XNFIYSGEEWIDHE-UHFFFAOYSA-N -1 3 359.220 3.401 20 0 FGADHM COC[C@H]([N-]S(=O)(=O)c1ccc(Cl)s1)c1ccc(F)c(F)c1 ZINC000180188131 495899013 /nfs/dbraw/zinc/89/90/13/495899013.db2.gz PZQSAHZHMVNVHC-NSHDSACASA-N -1 3 367.826 3.346 20 0 FGADHM O=C(Nc1nnc(SCCO)[n-]1)c1cc(-c2ccccc2)ccc1Cl ZINC000155281417 495902503 /nfs/dbraw/zinc/90/25/03/495902503.db2.gz SOWUSTKRQGNKMX-UHFFFAOYSA-N -1 3 374.853 3.462 20 0 FGADHM O=C(Nc1nc(SCCO)n[n-]1)c1cc(-c2ccccc2)ccc1Cl ZINC000155281417 495902505 /nfs/dbraw/zinc/90/25/05/495902505.db2.gz SOWUSTKRQGNKMX-UHFFFAOYSA-N -1 3 374.853 3.462 20 0 FGADHM O=C(Nc1n[n-]c(SCCO)n1)c1cc(-c2ccccc2)ccc1Cl ZINC000155281417 495902506 /nfs/dbraw/zinc/90/25/06/495902506.db2.gz SOWUSTKRQGNKMX-UHFFFAOYSA-N -1 3 374.853 3.462 20 0 FGADHM Cc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3ccc([O-])cc3F)C2)cc1 ZINC000183267931 495908533 /nfs/dbraw/zinc/90/85/33/495908533.db2.gz JGMGWTCMGFOOKE-OAHLLOKOSA-N -1 3 356.397 3.331 20 0 FGADHM CCO[C@H]1C[C@H](NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)C12CCCC2 ZINC000155324127 495919339 /nfs/dbraw/zinc/91/93/39/495919339.db2.gz TUWUSDKUACJUSD-IRXDYDNUSA-N -1 3 372.440 3.443 20 0 FGADHM Cc1cc(C(=O)Nc2nnc(-c3ccco3)[n-]2)nn1-c1cc(C)cc(C)c1 ZINC000180248058 495923888 /nfs/dbraw/zinc/92/38/88/495923888.db2.gz NVMAOXJZJXQTDV-UHFFFAOYSA-N -1 3 362.393 3.428 20 0 FGADHM Cc1cc(C(=O)Nc2nc(-c3ccco3)n[n-]2)nn1-c1cc(C)cc(C)c1 ZINC000180248058 495923890 /nfs/dbraw/zinc/92/38/90/495923890.db2.gz NVMAOXJZJXQTDV-UHFFFAOYSA-N -1 3 362.393 3.428 20 0 FGADHM Cc1cc(C(=O)Nc2n[n-]c(-c3ccco3)n2)nn1-c1cc(C)cc(C)c1 ZINC000180248058 495923896 /nfs/dbraw/zinc/92/38/96/495923896.db2.gz NVMAOXJZJXQTDV-UHFFFAOYSA-N -1 3 362.393 3.428 20 0 FGADHM C[C@H]1CCN(C(=O)C(=O)c2cnn(-c3ccccc3)c2)c2c([O-])cccc21 ZINC000186306921 495940766 /nfs/dbraw/zinc/94/07/66/495940766.db2.gz ZVARWQKNTZDVTG-AWEZNQCLSA-N -1 3 361.401 3.301 20 0 FGADHM O=C(c1cc(F)ccc1[O-])N1CCCN(CCCc2ccccc2)CC1 ZINC000177138802 495943857 /nfs/dbraw/zinc/94/38/57/495943857.db2.gz MKYHHTHPBDRBAA-UHFFFAOYSA-N -1 3 356.441 3.312 20 0 FGADHM CCC(C)(C)[N-]S(=O)(=O)c1cc(F)c(Br)cc1OC ZINC000183373011 495952393 /nfs/dbraw/zinc/95/23/93/495952393.db2.gz ZAABBPKPTQBNRK-UHFFFAOYSA-N -1 3 354.241 3.064 20 0 FGADHM Cc1c(C(=O)N2CC[C@H](C)c3cccc([O-])c32)cnn1C1CCOCC1 ZINC000186342915 495957555 /nfs/dbraw/zinc/95/75/55/495957555.db2.gz MYMSCIKHEUTWCI-ZDUSSCGKSA-N -1 3 355.438 3.403 20 0 FGADHM O=S(=O)([N-][C@H]1CCCOCC1)c1cc(C(F)(F)F)ccc1Cl ZINC000183391324 495960374 /nfs/dbraw/zinc/96/03/74/495960374.db2.gz OWZAXDRGHCZGNJ-JTQLQIEISA-N -1 3 357.781 3.206 20 0 FGADHM CC(C)n1cnc(S(=O)(=O)[N-]Cc2ccc(F)cc2C(F)(F)F)c1 ZINC000151850040 495968742 /nfs/dbraw/zinc/96/87/42/495968742.db2.gz VXRJJZOTUNTKIY-UHFFFAOYSA-N -1 3 365.352 3.100 20 0 FGADHM C[C@H]1CN(C(=O)NCc2ccc([O-])c(F)c2)C[C@H](c2ccsc2)O1 ZINC000151852301 495969775 /nfs/dbraw/zinc/96/97/75/495969775.db2.gz HYWGOJACAPZDLT-MEDUHNTESA-N -1 3 350.415 3.264 20 0 FGADHM CC(C)N1CC[C@@H](Sc2n[n-]c(COc3ccc(Cl)cc3)n2)C1=O ZINC000177194955 495970775 /nfs/dbraw/zinc/97/07/75/495970775.db2.gz BQSBECQCMHBIPK-CYBMUJFWSA-N -1 3 366.874 3.139 20 0 FGADHM CCOc1cc2c(cc1CNC(=O)NCc1ccc([O-])c(F)c1)O[C@H](C)C2 ZINC000155532427 495985788 /nfs/dbraw/zinc/98/57/88/495985788.db2.gz MZQIEBYHLFOAMB-GFCCVEGCSA-N -1 3 374.412 3.253 20 0 FGADHM Cc1cc(C(=O)[N-]c2nc(C)no2)nn1-c1ccc(Cl)cc1Cl ZINC000180412536 495987632 /nfs/dbraw/zinc/98/76/32/495987632.db2.gz IBQUNFKDDZNGMF-UHFFFAOYSA-N -1 3 352.181 3.431 20 0 FGADHM C[C@@H](CCC1CCCCC1)NC(=O)c1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000151927988 495994574 /nfs/dbraw/zinc/99/45/74/495994574.db2.gz NYERQEFELXOJDV-LHSJRXKWSA-N -1 3 371.481 3.220 20 0 FGADHM Cc1nc(S(=O)(=O)[N-][C@H](C)c2ccc(SC(C)C)cc2)cn1C ZINC000171709922 496000011 /nfs/dbraw/zinc/00/00/11/496000011.db2.gz QHLFPTIQFBCVJE-GFCCVEGCSA-N -1 3 353.513 3.269 20 0 FGADHM Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)/N=c2\cc[n-]n2C(C)C)cc1 ZINC000174575679 496017897 /nfs/dbraw/zinc/01/78/97/496017897.db2.gz NOJDFCUQYTYDFS-PSJMPGOSSA-N -1 3 356.470 3.484 20 0 FGADHM CC(C)CCn1cc(C(=O)[N-]c2n[nH]c(-c3ccccc3Cl)n2)nn1 ZINC000152021725 496023892 /nfs/dbraw/zinc/02/38/92/496023892.db2.gz GKMIAPCGHKPAPB-UHFFFAOYSA-N -1 3 359.821 3.015 20 0 FGADHM O=C(N[C@H]1CCc2c1cccc2Br)c1cccc2nn[n-]c21 ZINC000183556645 496028604 /nfs/dbraw/zinc/02/86/04/496028604.db2.gz FONUXXCRLMVCGF-ZDUSSCGKSA-N -1 3 357.211 3.138 20 0 FGADHM O=C(N[C@H]1CCc2c1cccc2Br)c1cccc2[n-]nnc21 ZINC000183556645 496028609 /nfs/dbraw/zinc/02/86/09/496028609.db2.gz FONUXXCRLMVCGF-ZDUSSCGKSA-N -1 3 357.211 3.138 20 0 FGADHM O=C(N[C@H]1CCc2c1cccc2Br)c1cccc2n[n-]nc21 ZINC000183556645 496028613 /nfs/dbraw/zinc/02/86/13/496028613.db2.gz FONUXXCRLMVCGF-ZDUSSCGKSA-N -1 3 357.211 3.138 20 0 FGADHM Cc1cccc(OCCN(C)C(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)c1 ZINC000155683018 496034740 /nfs/dbraw/zinc/03/47/40/496034740.db2.gz KVNSPJODASNXQO-UHFFFAOYSA-N -1 3 368.408 3.435 20 0 FGADHM O=C(CCCCOc1ccc(Br)cc1)[N-]C1=NCCS1 ZINC000171805839 496042392 /nfs/dbraw/zinc/04/23/92/496042392.db2.gz KWUPVGNEEUFVIF-UHFFFAOYSA-N -1 3 357.273 3.217 20 0 FGADHM CN1CCC(N(Cc2ccco2)C(=O)c2cc(F)c(F)c([O-])c2F)CC1 ZINC000183612307 496049108 /nfs/dbraw/zinc/04/91/08/496049108.db2.gz ZTYHKVYCQPNMMG-UHFFFAOYSA-N -1 3 368.355 3.139 20 0 FGADHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N(C)Cc1ccc(C)cc1 ZINC000174695213 496066215 /nfs/dbraw/zinc/06/62/15/496066215.db2.gz AGZVSVJFQXCJDM-UHFFFAOYSA-N -1 3 374.462 3.139 20 0 FGADHM O=S(=O)([N-][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)c1cccc(Cl)c1Cl ZINC000155796664 496071270 /nfs/dbraw/zinc/07/12/70/496071270.db2.gz VHZLUSBKMWRMON-FZQKWOKYSA-N -1 3 362.278 3.229 20 0 FGADHM CCOC(=O)c1ccsc1[N-]C(=O)C(=O)N(CC)Cc1ccccc1C ZINC000174732339 496080874 /nfs/dbraw/zinc/08/08/74/496080874.db2.gz MDWDSCGIVUMMMM-UHFFFAOYSA-N -1 3 374.462 3.220 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]Cc2nc3ccccc3n2C)c(Cl)cc1F ZINC000177487421 496082293 /nfs/dbraw/zinc/08/22/93/496082293.db2.gz SFEBPAGHNULAEL-UHFFFAOYSA-N -1 3 367.833 3.153 20 0 FGADHM C[C@H]1CN(C(=O)c2c[n-]c3ccccc3c2=O)C[C@H](c2ccsc2)O1 ZINC000155877250 496094124 /nfs/dbraw/zinc/09/41/24/496094124.db2.gz RCUGIHDQAWNBHE-YVEFUNNKSA-N -1 3 354.431 3.192 20 0 FGADHM CCCn1c(SCC(=O)Nc2ccccc2[O-])nnc1-c1ccncc1 ZINC000180666670 496095071 /nfs/dbraw/zinc/09/50/71/496095071.db2.gz ZGJLQPIMADBCMJ-UHFFFAOYSA-N -1 3 369.450 3.187 20 0 FGADHM Cc1coc(-c2ccc(C)c([N-]S(=O)(=O)C[C@H]3CCCCO3)c2)n1 ZINC000161071743 496097516 /nfs/dbraw/zinc/09/75/16/496097516.db2.gz GOSFXIPUHYISLM-OAHLLOKOSA-N -1 3 350.440 3.269 20 0 FGADHM Cc1coc(-c2ccc(C)c([N-]S(=O)(=O)C[C@@H]3CCCCO3)c2)n1 ZINC000161071619 496097844 /nfs/dbraw/zinc/09/78/44/496097844.db2.gz GOSFXIPUHYISLM-HNNXBMFYSA-N -1 3 350.440 3.269 20 0 FGADHM Cc1nc2c3ccccc3nc(SCC(=O)Nc3ccccc3[O-])n2n1 ZINC000180690126 496106230 /nfs/dbraw/zinc/10/62/30/496106230.db2.gz BLSZUHYVDBTHRL-UHFFFAOYSA-N -1 3 365.418 3.022 20 0 FGADHM CCc1ccc([O-])c(C(=O)N[C@@H](C)c2noc(Cc3ccccc3)n2)c1 ZINC000152304096 496110734 /nfs/dbraw/zinc/11/07/34/496110734.db2.gz SCPLRMATFKMUFS-ZDUSSCGKSA-N -1 3 351.406 3.419 20 0 FGADHM CCOc1cc(C(=O)N2CCC[C@@H]2CN2CCCC2)cc(Cl)c1[O-] ZINC000186718396 496120249 /nfs/dbraw/zinc/12/02/49/496120249.db2.gz ZUYVCOGTQFCSSL-CQSZACIVSA-N -1 3 352.862 3.145 20 0 FGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(C(C)(C)C)cc2)c(C)o1 ZINC000177602809 496128270 /nfs/dbraw/zinc/12/82/70/496128270.db2.gz JOTKDDLPQZOVJF-UHFFFAOYSA-N -1 3 350.440 3.046 20 0 FGADHM O=C(Nc1cc(F)ccc1[O-])c1cc(Br)c2c(c1)OCCO2 ZINC000174869048 496141153 /nfs/dbraw/zinc/14/11/53/496141153.db2.gz NOUIRUIZJYLYQK-UHFFFAOYSA-N -1 3 368.158 3.317 20 0 FGADHM O=C(COc1ccc(Br)cc1F)Nc1cc(F)ccc1[O-] ZINC000174885830 496149677 /nfs/dbraw/zinc/14/96/77/496149677.db2.gz AITNHQSVLRFQPW-UHFFFAOYSA-N -1 3 358.138 3.450 20 0 FGADHM COc1ccc(-c2noc(CCC(=O)Nc3cc(F)ccc3[O-])n2)cc1 ZINC000174889998 496150906 /nfs/dbraw/zinc/15/09/06/496150906.db2.gz ZVTGPGAHZJIFKU-UHFFFAOYSA-N -1 3 357.341 3.161 20 0 FGADHM O=C(CCn1c(=O)oc2cc(Cl)ccc21)Nc1cc(F)ccc1[O-] ZINC000174897568 496154203 /nfs/dbraw/zinc/15/42/03/496154203.db2.gz NALPYQAYAZTHAR-UHFFFAOYSA-N -1 3 350.733 3.121 20 0 FGADHM Cc1cc(Cl)cc(NC(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)c1[O-] ZINC000172081947 496157800 /nfs/dbraw/zinc/15/78/00/496157800.db2.gz RRBTWZHMPVJKQZ-CYBMUJFWSA-N -1 3 365.861 3.220 20 0 FGADHM CCN(C(=O)c1cccc([C@]2(C)NC(=O)[N-]C2=O)c1)c1cc(C)cc(C)c1 ZINC000152455688 496158200 /nfs/dbraw/zinc/15/82/00/496158200.db2.gz OYALFBQLVDLYGB-NRFANRHFSA-N -1 3 365.433 3.025 20 0 FGADHM O=C([N-]CCCN[C@@H](c1cccc(Cl)c1)c1ccccn1)C(F)(F)F ZINC000180823791 496159851 /nfs/dbraw/zinc/15/98/51/496159851.db2.gz YULCRHGOCWBLTM-HNNXBMFYSA-N -1 3 371.790 3.483 20 0 FGADHM O=C([O-])c1ccccc1OCCN1CCC(OCCc2ccccc2)CC1 ZINC000183917042 496160495 /nfs/dbraw/zinc/16/04/95/496160495.db2.gz UWVFKYFKKOABEA-UHFFFAOYSA-N -1 3 369.461 3.487 20 0 FGADHM O=C(NCc1nc2ccccc2[nH]1)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000186825161 496169437 /nfs/dbraw/zinc/16/94/37/496169437.db2.gz PTZCDKLVZAXNCJ-UHFFFAOYSA-N -1 3 371.396 3.430 20 0 FGADHM CCSc1cccc(NC(=O)[C@H](C)[N-]S(=O)(=O)c2cccs2)c1 ZINC000172139526 496180916 /nfs/dbraw/zinc/18/09/16/496180916.db2.gz NVWHJFFKNYXTKK-NSHDSACASA-N -1 3 370.521 3.166 20 0 FGADHM CC(C)Oc1ccc(CN2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000177750587 496182187 /nfs/dbraw/zinc/18/21/87/496182187.db2.gz VNHOIKOWTNZPIN-UHFFFAOYSA-N -1 3 354.450 3.137 20 0 FGADHM Cc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1ccccc1Br)CO2 ZINC000152561829 496188264 /nfs/dbraw/zinc/18/82/64/496188264.db2.gz OPNMUASJZMLMQJ-ZDUSSCGKSA-N -1 3 368.252 3.170 20 0 FGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(Br)c(C)c1 ZINC000177790887 496197386 /nfs/dbraw/zinc/19/73/86/496197386.db2.gz NTVWMBAPBXHHPU-UHFFFAOYSA-N -1 3 368.256 3.123 20 0 FGADHM CCOC(=O)c1cc(NC(=O)Cc2csc(-c3cccc(C)c3)n2)n[n-]1 ZINC000180923066 496200925 /nfs/dbraw/zinc/20/09/25/496200925.db2.gz WFYXLDQVULAIHJ-UHFFFAOYSA-N -1 3 370.434 3.200 20 0 FGADHM CCOC(=O)c1cc(NC(=O)Cc2csc(-c3cccc(C)c3)n2)[n-]n1 ZINC000180923066 496200931 /nfs/dbraw/zinc/20/09/31/496200931.db2.gz WFYXLDQVULAIHJ-UHFFFAOYSA-N -1 3 370.434 3.200 20 0 FGADHM COC(=O)c1coc(C(=O)[N-]c2nc(-c3ccccc3OC)cs2)c1 ZINC000184016864 496203242 /nfs/dbraw/zinc/20/32/42/496203242.db2.gz KMIBRAWRWZOJJG-UHFFFAOYSA-N -1 3 358.375 3.451 20 0 FGADHM CC(C)c1ccccc1NC(=O)c1cccc([C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000161604798 496205500 /nfs/dbraw/zinc/20/55/00/496205500.db2.gz YOTDLBDSHSSXCG-FQEVSTJZSA-N -1 3 351.406 3.117 20 0 FGADHM CC(C)CC(=O)N[C@@H](C(=O)NCc1ccc([O-])c(F)c1)c1ccccc1 ZINC000156294055 496208676 /nfs/dbraw/zinc/20/86/76/496208676.db2.gz UQUZIVIDMARGSL-LJQANCHMSA-N -1 3 358.413 3.051 20 0 FGADHM C[C@@H](OC1CCCCCC1)C(=O)Nc1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000177819634 496209424 /nfs/dbraw/zinc/20/94/24/496209424.db2.gz VMKIBHXKCJRMDN-GFCCVEGCSA-N -1 3 372.462 3.264 20 0 FGADHM C[C@@H](C(=O)Nc1cccc(Br)c1)[S@](=O)c1cccc([O-])c1 ZINC000184048731 496217969 /nfs/dbraw/zinc/21/79/69/496217969.db2.gz ICHNYUAWNMOZMI-CWKPULSASA-N -1 3 368.252 3.290 20 0 FGADHM CN(C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C1CCC1 ZINC000184057127 496221253 /nfs/dbraw/zinc/22/12/53/496221253.db2.gz WLLQTWDHZGFEMP-IBGZPJMESA-N -1 3 352.434 3.264 20 0 FGADHM Cc1nc(C)c(CCC(=O)NCc2ccccc2OCCC(C)C)c(=O)[n-]1 ZINC000156373643 496227257 /nfs/dbraw/zinc/22/72/57/496227257.db2.gz HCGVLHALRQTVNU-UHFFFAOYSA-N -1 3 371.481 3.061 20 0 FGADHM Cc1cccc(C(=O)Nc2cccc(-c3nnn[n-]3)c2)c1Br ZINC000156480671 496256579 /nfs/dbraw/zinc/25/65/79/496256579.db2.gz ZDPAJIGRGDMUFP-UHFFFAOYSA-N -1 3 358.199 3.190 20 0 FGADHM Cc1cccc(C(=O)Nc2cccc(-c3nn[n-]n3)c2)c1Br ZINC000156480671 496256587 /nfs/dbraw/zinc/25/65/87/496256587.db2.gz ZDPAJIGRGDMUFP-UHFFFAOYSA-N -1 3 358.199 3.190 20 0 FGADHM Cc1cccc(C(C)C)c1NC(=O)c1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000177942209 496259660 /nfs/dbraw/zinc/25/96/60/496259660.db2.gz CDZCZUIIUXHRQT-OAQYLSRUSA-N -1 3 365.433 3.425 20 0 FGADHM Fc1cc(-c2cncnc2)ccc1-c1nc(-c2ccc3n[n-]nc3c2)no1 ZINC000574696513 505833661 /nfs/dbraw/zinc/83/36/61/505833661.db2.gz KXKPRLJJCYPPKG-UHFFFAOYSA-N -1 3 359.324 3.271 20 0 FGADHM CCc1cccc(Oc2ccc([N-]S(=O)(=O)C[C@@H]3CCCO3)cn2)c1 ZINC000172366138 496269878 /nfs/dbraw/zinc/26/98/78/496269878.db2.gz LTHIAEYKJDUDII-KRWDZBQOSA-N -1 3 362.451 3.357 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3CC2CC2)cc1 ZINC000187075620 496281534 /nfs/dbraw/zinc/28/15/34/496281534.db2.gz CQVVORGRMILKOK-UHFFFAOYSA-N -1 3 370.474 3.485 20 0 FGADHM Cc1c(NC(=O)[C@H]2CC[C@@H](C(F)(F)F)[N-]C2=O)cccc1C(F)(F)F ZINC000178007013 496284895 /nfs/dbraw/zinc/28/48/95/496284895.db2.gz XHAGXIYCAQFVSB-KCJUWKMLSA-N -1 3 368.277 3.409 20 0 FGADHM Cc1ccc(CN(C)C)cc1[N-]S(=O)(=O)c1cccc2cnccc21 ZINC000187132568 496306694 /nfs/dbraw/zinc/30/66/94/496306694.db2.gz BTFVFIFUAXKAAU-UHFFFAOYSA-N -1 3 355.463 3.406 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)c1cc(-c2ccc3c(c2)CCO3)no1 ZINC000156667267 496306864 /nfs/dbraw/zinc/30/68/64/496306864.db2.gz YXXJBXKCDJNLRA-UHFFFAOYSA-N -1 3 354.337 3.051 20 0 FGADHM CC[C@@H]1CN(c2ccccc2)CCN1C(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000184273892 496314005 /nfs/dbraw/zinc/31/40/05/496314005.db2.gz VUMZPSUJHZHDLP-MRXNPFEDSA-N -1 3 370.449 3.150 20 0 FGADHM O=C(Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1)c1ccccc1[O-] ZINC000153000049 496321176 /nfs/dbraw/zinc/32/11/76/496321176.db2.gz MGESSYWVBCEODA-KRWDZBQOSA-N -1 3 362.433 3.288 20 0 FGADHM O=C(NCCNC(=O)c1ccc([O-])cc1)c1csc(C2CCCCC2)n1 ZINC000571883418 505837690 /nfs/dbraw/zinc/83/76/90/505837690.db2.gz INFUHHULZYWDNW-UHFFFAOYSA-N -1 3 373.478 3.056 20 0 FGADHM Cc1cccc(F)c1S(=O)(=O)[N-][C@H](c1nc(C2CC2)no1)C(C)C ZINC000184347061 496343710 /nfs/dbraw/zinc/34/37/10/496343710.db2.gz ADJSDDXMGKEDQH-ZDUSSCGKSA-N -1 3 353.419 3.070 20 0 FGADHM Cn1c(=O)[nH]c2ccc(C(=O)Nc3cc(Cc4ccccc4)ccc3[O-])cc21 ZINC000162371284 496344172 /nfs/dbraw/zinc/34/41/72/496344172.db2.gz SHKMMQCUBIUXFV-UHFFFAOYSA-N -1 3 373.412 3.415 20 0 FGADHM 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ZINC000162835600 496419500 /nfs/dbraw/zinc/41/95/00/496419500.db2.gz PQGXMEATUIOTCV-IUCAKERBSA-N -1 3 368.318 3.053 20 0 FGADHM C[C@H](Cc1ccccc1)C(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000178345622 496421475 /nfs/dbraw/zinc/42/14/75/496421475.db2.gz JYPGWGCKRWZSCJ-MRXNPFEDSA-N -1 3 366.461 3.448 20 0 FGADHM CSc1ccc(C(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)o1 ZINC000178345587 496421829 /nfs/dbraw/zinc/42/18/29/496421829.db2.gz ZRZSOSPALGMALY-UHFFFAOYSA-N -1 3 360.435 3.198 20 0 FGADHM O=C(CNC(=O)c1c[n-]nc1-c1ccc(Cl)s1)c1cccs1 ZINC000187395797 496424990 /nfs/dbraw/zinc/42/49/90/496424990.db2.gz ZVYLBPXVAJOCRL-UHFFFAOYSA-N -1 3 351.840 3.466 20 0 FGADHM CC[C@H](CN(CC)C(=O)CCc1c(C)nc(C)[n-]c1=O)c1ccccc1 ZINC000187407168 496428492 /nfs/dbraw/zinc/42/84/92/496428492.db2.gz KSGYDTYRUPVLTB-QGZVFWFLSA-N -1 3 355.482 3.362 20 0 FGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(OC2CCC2)c(F)c1 ZINC000178374624 496432980 /nfs/dbraw/zinc/43/29/80/496432980.db2.gz KUANDZPBPMDZIU-UHFFFAOYSA-N -1 3 363.414 3.123 20 0 FGADHM COC(=O)c1cncc([N-]C(=O)c2cc(-c3cccc(Cl)c3)no2)c1 ZINC000178393483 496438290 /nfs/dbraw/zinc/43/82/90/496438290.db2.gz IELWBZKAWROPAR-UHFFFAOYSA-N -1 3 357.753 3.429 20 0 FGADHM C[C@@H](CNC(=O)Cc1ccc([O-])cc1Cl)N1CCc2sccc2C1 ZINC000163028761 496453280 /nfs/dbraw/zinc/45/32/80/496453280.db2.gz USIBOBSJXFJAST-LBPRGKRZSA-N -1 3 364.898 3.213 20 0 FGADHM CS(=O)(=O)[N-]c1cc(NC(=O)[C@@H]2C[C@@H]2C2CCCCC2)ccc1F ZINC000172837533 496455789 /nfs/dbraw/zinc/45/57/89/496455789.db2.gz RICIYJKUVUQRFP-ZIAGYGMSSA-N -1 3 354.447 3.352 20 0 FGADHM CC(C)c1ncc(C(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)s1 ZINC000178442864 496459100 /nfs/dbraw/zinc/45/91/00/496459100.db2.gz KGLXLSBCOPZEKM-UHFFFAOYSA-N -1 3 373.478 3.463 20 0 FGADHM C[C@@H](NCc1nc2c3ccccc3oc2c(=O)[n-]1)[C@H]1COc2ccccc21 ZINC000163061976 496460083 /nfs/dbraw/zinc/46/00/83/496460083.db2.gz CEGAWFZGORJGFZ-IUODEOHRSA-N -1 3 361.401 3.324 20 0 FGADHM O=S(=O)([N-][C@H]1CCO[C@@H]1c1ccc(Cl)cc1)c1ccccc1F ZINC000181599122 496463478 /nfs/dbraw/zinc/46/34/78/496463478.db2.gz ACMJKPJQVJCROI-GOEBONIOSA-N -1 3 355.818 3.288 20 0 FGADHM O=C(Nc1ccc(Cl)cc1[O-])[C@H](c1ccccc1)N1CCC(O)CC1 ZINC000153485085 496472099 /nfs/dbraw/zinc/47/20/99/496472099.db2.gz KMUUJLBMNQZVPT-SFHVURJKSA-N -1 3 360.841 3.182 20 0 FGADHM Cc1cccc(C(=O)NCCCc2nc(-c3ccc(F)cc3)no2)c1[O-] ZINC000181619098 496472713 /nfs/dbraw/zinc/47/27/13/496472713.db2.gz PPZOTLLNXZLDKG-UHFFFAOYSA-N -1 3 355.369 3.252 20 0 FGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)c1cccs1 ZINC000178496728 496475992 /nfs/dbraw/zinc/47/59/92/496475992.db2.gz RLNSAUTYMDSFRX-VIFPVBQESA-N -1 3 359.856 3.228 20 0 FGADHM Cc1ccc(CCCC(=O)Nc2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)s1 ZINC000175644297 496480355 /nfs/dbraw/zinc/48/03/55/496480355.db2.gz GICJQQTZNZOISQ-IBGZPJMESA-N -1 3 371.462 3.073 20 0 FGADHM CCc1nnc(C[N-]S(=O)(=O)c2ccc(C(C)(C)CC)cc2)s1 ZINC000571929820 505847430 /nfs/dbraw/zinc/84/74/30/505847430.db2.gz NJMKATXIJYRZAO-UHFFFAOYSA-N -1 3 353.513 3.267 20 0 FGADHM CCSCc1cc(C(=O)[N-]c2cc(S(C)(=O)=O)ccc2Cl)no1 ZINC000184701228 496499418 /nfs/dbraw/zinc/49/94/18/496499418.db2.gz FGSCTDTZKWFVDW-UHFFFAOYSA-N -1 3 374.871 3.237 20 0 FGADHM O=C(Cc1ccc([O-])cc1Cl)NCc1nccn1CCc1ccccc1 ZINC000157552552 496501830 /nfs/dbraw/zinc/50/18/30/496501830.db2.gz GOYDEVOQTDVPPU-UHFFFAOYSA-N -1 3 369.852 3.344 20 0 FGADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCO[C@H](c3ccccc3)C2)c(F)cc1F ZINC000163376049 496506581 /nfs/dbraw/zinc/50/65/81/496506581.db2.gz OOBPVTFLVFGKCG-PBHICJAKSA-N -1 3 367.417 3.472 20 0 FGADHM C[C@H](NC(=O)Cc1ccc([O-])cc1Cl)c1cn(-c2ccccc2)nn1 ZINC000163395320 496510058 /nfs/dbraw/zinc/51/00/58/496510058.db2.gz PQXMNADIKURXKB-LBPRGKRZSA-N -1 3 356.813 3.046 20 0 FGADHM COc1ccc([O-])c(C(=O)N2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)c1 ZINC000157594443 496511375 /nfs/dbraw/zinc/51/13/75/496511375.db2.gz IOXWMRGDDAXVCM-BEFAXECRSA-N -1 3 359.397 3.268 20 0 FGADHM C[C@@H](C(=O)Nc1cc(-c2nccn2C)[n-]n1)c1ccc(Br)cc1 ZINC000153616783 496519559 /nfs/dbraw/zinc/51/95/59/496519559.db2.gz UEVDZMYJJFHBCR-SNVBAGLBSA-N -1 3 374.242 3.315 20 0 FGADHM C[C@@H](C(=O)Nc1cc(-c2nccn2C)n[n-]1)c1ccc(Br)cc1 ZINC000153616783 496519563 /nfs/dbraw/zinc/51/95/63/496519563.db2.gz UEVDZMYJJFHBCR-SNVBAGLBSA-N -1 3 374.242 3.315 20 0 FGADHM O=S(=O)([N-]Cc1ccc(CO)c(F)c1)c1c(Cl)cccc1Cl ZINC000178623986 496519807 /nfs/dbraw/zinc/51/98/07/496519807.db2.gz JQZHFYYGYOAXQG-UHFFFAOYSA-N -1 3 364.225 3.103 20 0 FGADHM COc1ccc(F)c([N-]S(=O)(=O)c2ccc(OCC(F)F)cc2)c1 ZINC000181730359 496520839 /nfs/dbraw/zinc/52/08/39/496520839.db2.gz IEVOVVFNVDEVJN-UHFFFAOYSA-N -1 3 361.341 3.279 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CCc3cncc(F)c3)c2)n1 ZINC000181756733 496530742 /nfs/dbraw/zinc/53/07/42/496530742.db2.gz SQMISYWVZUBXFG-UHFFFAOYSA-N -1 3 366.396 3.105 20 0 FGADHM CO[C@@H](C)c1nc(=NC[C@H](CN(C)C)c2ccc(Cl)cc2)s[n-]1 ZINC000574761920 505849851 /nfs/dbraw/zinc/84/98/51/505849851.db2.gz QCEGTGBZWKDSKB-WCQYABFASA-N -1 3 354.907 3.078 20 0 FGADHM CSCC[C@@H](NC(=O)c1ccco1)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000153654611 496534988 /nfs/dbraw/zinc/53/49/88/496534988.db2.gz RGZKXLXKOOTYHP-GFCCVEGCSA-N -1 3 368.842 3.129 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)c1cc(C)c(Br)s1)[C@@H]1CCCO1 ZINC000157710832 496535749 /nfs/dbraw/zinc/53/57/49/496535749.db2.gz KYMGAIMTSQGYQA-UWVGGRQHSA-N -1 3 368.318 3.055 20 0 FGADHM O=C(c1cccc2[n-]nnc21)N1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000187690484 496536104 /nfs/dbraw/zinc/53/61/04/496536104.db2.gz AXVZHPGQUKKZLB-INIZCTEOSA-N -1 3 374.404 3.375 20 0 FGADHM O=C(c1cccc2nn[n-]c21)N1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000187690484 496536106 /nfs/dbraw/zinc/53/61/06/496536106.db2.gz AXVZHPGQUKKZLB-INIZCTEOSA-N -1 3 374.404 3.375 20 0 FGADHM O=C(c1cccc2n[n-]nc21)N1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000187690484 496536109 /nfs/dbraw/zinc/53/61/09/496536109.db2.gz AXVZHPGQUKKZLB-INIZCTEOSA-N -1 3 374.404 3.375 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)NC[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000157739119 496541521 /nfs/dbraw/zinc/54/15/21/496541521.db2.gz BYLJMLYSGVENEC-VQIMIIECSA-N -1 3 358.413 3.498 20 0 FGADHM CN(Cc1ccc(OC(F)F)cc1)C(=O)NCc1ccc([O-])c(F)c1 ZINC000163692165 496547260 /nfs/dbraw/zinc/54/72/60/496547260.db2.gz BARHVBGMBRPRPU-UHFFFAOYSA-N -1 3 354.328 3.474 20 0 FGADHM O=S(=O)([N-]Cc1csc(-c2ccco2)n1)c1ccc(F)cc1F ZINC000153694493 496547670 /nfs/dbraw/zinc/54/76/70/496547670.db2.gz UBQPSLJJDGGYOF-UHFFFAOYSA-N -1 3 356.375 3.160 20 0 FGADHM Cc1nc(C)c(S(=O)(=O)[N-]Cc2cccc(-c3ccccn3)c2)s1 ZINC000178721187 496550641 /nfs/dbraw/zinc/55/06/41/496550641.db2.gz ASIRTOXCEFSWKV-UHFFFAOYSA-N -1 3 359.476 3.300 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)c3cccc(OC(F)F)c3)[n-]c21 ZINC000157774159 496552753 /nfs/dbraw/zinc/55/27/53/496552753.db2.gz OGPNLBGELIKKJJ-UHFFFAOYSA-N -1 3 361.304 3.203 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cccc(OC(F)F)c3)nc21 ZINC000157774159 496552757 /nfs/dbraw/zinc/55/27/57/496552757.db2.gz OGPNLBGELIKKJJ-UHFFFAOYSA-N -1 3 361.304 3.203 20 0 FGADHM Cc1ccc(-c2nnc(NC(=O)[C@@H]3CCCN3Cc3ccc(F)cc3)[n-]2)o1 ZINC000181885179 496586175 /nfs/dbraw/zinc/58/61/75/496586175.db2.gz ZABXOPLFPHNJAW-HNNXBMFYSA-N -1 3 369.400 3.115 20 0 FGADHM Cc1ccc(-c2n[n-]c(NC(=O)[C@@H]3CCCN3Cc3ccc(F)cc3)n2)o1 ZINC000181885179 496586178 /nfs/dbraw/zinc/58/61/78/496586178.db2.gz ZABXOPLFPHNJAW-HNNXBMFYSA-N -1 3 369.400 3.115 20 0 FGADHM Cc1ccc(-c2nc(NC(=O)[C@@H]3CCCN3Cc3ccc(F)cc3)n[n-]2)o1 ZINC000181885179 496586185 /nfs/dbraw/zinc/58/61/85/496586185.db2.gz ZABXOPLFPHNJAW-HNNXBMFYSA-N -1 3 369.400 3.115 20 0 FGADHM COc1ccccc1-c1csc(NC(=O)c2cccc3nn[n-]c32)n1 ZINC000187829333 496586510 /nfs/dbraw/zinc/58/65/10/496586510.db2.gz UDWBHIUGDYJHIU-UHFFFAOYSA-N -1 3 351.391 3.342 20 0 FGADHM COc1ccccc1-c1csc(NC(=O)c2cccc3[n-]nnc32)n1 ZINC000187829333 496586514 /nfs/dbraw/zinc/58/65/14/496586514.db2.gz UDWBHIUGDYJHIU-UHFFFAOYSA-N -1 3 351.391 3.342 20 0 FGADHM COc1ccccc1-c1csc(NC(=O)c2cccc3n[n-]nc32)n1 ZINC000187829333 496586517 /nfs/dbraw/zinc/58/65/17/496586517.db2.gz UDWBHIUGDYJHIU-UHFFFAOYSA-N -1 3 351.391 3.342 20 0 FGADHM COc1ccc(OC)c([C@H]2C[C@@H]2C(=O)N2CCCc3cccc([O-])c32)c1 ZINC000187834921 496588959 /nfs/dbraw/zinc/58/89/59/496588959.db2.gz KZSQVEWDIRKGLK-WBVHZDCISA-N -1 3 353.418 3.492 20 0 FGADHM C[C@@H](NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])c1cccc(F)c1F ZINC000153838590 496597182 /nfs/dbraw/zinc/59/71/82/496597182.db2.gz ZHZFYGDUHRKBIR-MLGOLLRUSA-N -1 3 374.387 3.152 20 0 FGADHM Cc1nc(C[N-]S(=O)(=O)c2ccccc2C(F)(F)F)sc1C ZINC000173226261 496601443 /nfs/dbraw/zinc/60/14/43/496601443.db2.gz DANPEESEAIGGDW-UHFFFAOYSA-N -1 3 350.387 3.257 20 0 FGADHM Cc1cc([N-]C(=O)[C@H](C)N2CCO[C@H](c3ccc(F)cc3Cl)C2)on1 ZINC000187871091 496602656 /nfs/dbraw/zinc/60/26/56/496602656.db2.gz SHWPDONTTYWSCN-NHYWBVRUSA-N -1 3 367.808 3.176 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)N1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000184967710 496604701 /nfs/dbraw/zinc/60/47/01/496604701.db2.gz WIGKKCXUKIUGQJ-KRWDZBQOSA-N -1 3 364.804 3.468 20 0 FGADHM O=C(N[C@H]1CCC[C@H]1CCO)c1cc(OCc2ccccc2)ccc1[O-] ZINC000187893974 496610300 /nfs/dbraw/zinc/61/03/00/496610300.db2.gz APKVHPUMMCAFSK-LPHOPBHVSA-N -1 3 355.434 3.252 20 0 FGADHM CCN1C(=O)CCc2cc(NC(=O)c3c[n-]c4ccccc4c3=O)ccc21 ZINC000184990129 496614348 /nfs/dbraw/zinc/61/43/48/496614348.db2.gz DYZKKGBAVMLLLH-UHFFFAOYSA-N -1 3 361.401 3.080 20 0 FGADHM CCN1C(=O)CCc2cc(NC(=O)c3cnc4ccccc4c3[O-])ccc21 ZINC000184990129 496614352 /nfs/dbraw/zinc/61/43/52/496614352.db2.gz DYZKKGBAVMLLLH-UHFFFAOYSA-N -1 3 361.401 3.080 20 0 FGADHM Cc1cccc(F)c1S(=O)(=O)[N-][C@H](C)c1ccc(-n2cccn2)cc1 ZINC000184999780 496616912 /nfs/dbraw/zinc/61/69/12/496616912.db2.gz JUYXOUUAXZVPLQ-CQSZACIVSA-N -1 3 359.426 3.359 20 0 FGADHM C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)N1CCC[C@H](C(=O)[O-])C1 ZINC000164608808 496623120 /nfs/dbraw/zinc/62/31/20/496623120.db2.gz IIWXIGNUIUJVSN-RDJZCZTQSA-N -1 3 352.434 3.477 20 0 FGADHM CCO[C@H]1C[C@H](N(C)Cc2nc3c4ccccc4oc3c(=O)[n-]2)C12CCC2 ZINC000153942297 496631427 /nfs/dbraw/zinc/63/14/27/496631427.db2.gz LJDVGRQUCUQHKY-HOTGVXAUSA-N -1 3 367.449 3.449 20 0 FGADHM CC1(C)CCC(C)(C)c2cc(C(=O)N3CCc4nc[n-]c(=O)c4C3)ccc21 ZINC000179052434 496659316 /nfs/dbraw/zinc/65/93/16/496659316.db2.gz KKNJUMWXOZBCHD-UHFFFAOYSA-N -1 3 365.477 3.317 20 0 FGADHM O=S(=O)([N-]c1ccc(O[C@@H]2CCOC2)cc1)c1ccc2c(c1)CCC2 ZINC000158264797 496663202 /nfs/dbraw/zinc/66/32/02/496663202.db2.gz QKRWPKWZRZRYDV-GOSISDBHSA-N -1 3 359.447 3.144 20 0 FGADHM C[C@@]1(CNC(=O)c2ccc(C(=O)c3cccc([O-])c3)cc2)CCCC[C@H]1O ZINC000188050514 496664470 /nfs/dbraw/zinc/66/44/70/496664470.db2.gz JFGAZODLRAVIRO-KNQAVFIVSA-N -1 3 367.445 3.294 20 0 FGADHM O=C(CNC(=O)c1cccc([O-])c1)N[C@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000580877191 505858988 /nfs/dbraw/zinc/85/89/88/505858988.db2.gz NJAGXBJFZPXUAY-PBHICJAKSA-N -1 3 372.852 3.228 20 0 FGADHM C[C@H](c1ccsc1)N1CCN(C(=O)c2c[n-]c3ccccc3c2=O)CC1 ZINC000158345946 496681475 /nfs/dbraw/zinc/68/14/75/496681475.db2.gz XQOWYXAVYNHZDP-CQSZACIVSA-N -1 3 367.474 3.109 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)C3(c4cccc(F)c4)CC3)[n-]c21 ZINC000158414419 496696504 /nfs/dbraw/zinc/69/65/04/496696504.db2.gz RJMGQNYPWLASFC-UHFFFAOYSA-N -1 3 353.353 3.159 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)C3(c4cccc(F)c4)CC3)nc21 ZINC000158414419 496696507 /nfs/dbraw/zinc/69/65/07/496696507.db2.gz RJMGQNYPWLASFC-UHFFFAOYSA-N -1 3 353.353 3.159 20 0 FGADHM O=C(Nc1cc(Cl)ccc1[O-])c1cc(I)c[nH]1 ZINC000176138496 496700112 /nfs/dbraw/zinc/70/01/12/496700112.db2.gz JTBHZFVXNNLLLA-UHFFFAOYSA-N -1 3 362.554 3.231 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)[C@H]3C[C@@H]3c3ccc(F)cc3)[n-]c21 ZINC000158446409 496704094 /nfs/dbraw/zinc/70/40/94/496704094.db2.gz MHVVSGRYULNPGE-KGLIPLIRSA-N -1 3 353.353 3.231 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@H]3C[C@@H]3c3ccc(F)cc3)nc21 ZINC000158446409 496704098 /nfs/dbraw/zinc/70/40/98/496704098.db2.gz MHVVSGRYULNPGE-KGLIPLIRSA-N -1 3 353.353 3.231 20 0 FGADHM CCC(CC)n1nc(C)cc1C(=O)[N-]n1c(C)nc2sccc2c1=O ZINC000182244329 496718548 /nfs/dbraw/zinc/71/85/48/496718548.db2.gz DHZNIJRYXHRIJK-UHFFFAOYSA-N -1 3 359.455 3.016 20 0 FGADHM O=C(Nc1ncn(Cc2cccc(Br)c2)n1)c1cccc([O-])c1 ZINC000182258145 496721468 /nfs/dbraw/zinc/72/14/68/496721468.db2.gz PXSAUMDLJUWGRD-UHFFFAOYSA-N -1 3 373.210 3.047 20 0 FGADHM O=C(c1cccc([O-])c1)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000182271044 496724167 /nfs/dbraw/zinc/72/41/67/496724167.db2.gz SMHNVEHMCVRMMA-INIZCTEOSA-N -1 3 362.223 3.368 20 0 FGADHM CCc1ccc(C(=O)N[C@H](C)c2nc(Cc3ccccc3)no2)c([O-])c1 ZINC000188268492 496735434 /nfs/dbraw/zinc/73/54/34/496735434.db2.gz DUJUINAKCPFWJV-CYBMUJFWSA-N -1 3 351.406 3.419 20 0 FGADHM Cc1ccc(F)c(CN[C@@H](CSCCOc2ccccc2)C(=O)[O-])c1 ZINC000277335726 496739907 /nfs/dbraw/zinc/73/99/07/496739907.db2.gz ONZRCWBXMRLRIC-SFHVURJKSA-N -1 3 363.454 3.489 20 0 FGADHM COCc1nc(SCC(=O)N[C@H](C)c2ccc(CC(C)C)cc2)n[n-]1 ZINC000268583397 496741142 /nfs/dbraw/zinc/74/11/42/496741142.db2.gz YNGHNSDUUVNEAQ-CYBMUJFWSA-N -1 3 362.499 3.119 20 0 FGADHM CCc1ccc(C(=O)Nc2ccc(OCc3noc(C)n3)cc2)c([O-])c1 ZINC000191396600 496748973 /nfs/dbraw/zinc/74/89/73/496748973.db2.gz QBBWWRDIUQTZNE-UHFFFAOYSA-N -1 3 353.378 3.477 20 0 FGADHM COc1cc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])ccc1Cl ZINC000194890042 496750019 /nfs/dbraw/zinc/75/00/19/496750019.db2.gz FGZCPTNEVNWUMZ-HNNXBMFYSA-N -1 3 374.824 3.298 20 0 FGADHM CC(C)c1ccc(C(=O)N2CCCN(Cc3cscn3)CC2)c([O-])c1 ZINC000263873121 496751067 /nfs/dbraw/zinc/75/10/67/496751067.db2.gz NXCMNTRWFXAMEU-UHFFFAOYSA-N -1 3 359.495 3.320 20 0 FGADHM Cc1ccccc1C(C)(C)C(=O)Nc1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000194935995 496767637 /nfs/dbraw/zinc/76/76/37/496767637.db2.gz ZJTPOGSQCYLHTG-UHFFFAOYSA-N -1 3 364.442 3.422 20 0 FGADHM CCSc1cccc(CN[C@@H](CC(=O)OCc2ccccc2)C(=O)[O-])c1 ZINC000277479134 496786706 /nfs/dbraw/zinc/78/67/06/496786706.db2.gz WPPMKFZFMHVQGW-SFHVURJKSA-N -1 3 373.474 3.475 20 0 FGADHM CC(C)c1ccc(CN[C@H](Cn2ccc(C(F)(F)F)n2)C(=O)[O-])cc1 ZINC000277501482 496794698 /nfs/dbraw/zinc/79/46/98/496794698.db2.gz XQXSPTGFAIKAOO-CQSZACIVSA-N -1 3 355.360 3.268 20 0 FGADHM CCC(=O)c1cccc(NC([O-])=NOC[C@H](C)NC(=O)OC(C)(C)C)c1 ZINC000273432550 496805125 /nfs/dbraw/zinc/80/51/25/496805125.db2.gz LIPRMUBFLULRJZ-LBPRGKRZSA-N -1 3 365.430 3.246 20 0 FGADHM CCC(=O)c1cccc(NC(=O)[N-]OC[C@H](C)NC(=O)OC(C)(C)C)c1 ZINC000273432550 496805127 /nfs/dbraw/zinc/80/51/27/496805127.db2.gz LIPRMUBFLULRJZ-LBPRGKRZSA-N -1 3 365.430 3.246 20 0 FGADHM COc1ccc(C(=O)N2CCc3cc(Br)ccc3C2)c([O-])c1 ZINC000191593254 496825206 /nfs/dbraw/zinc/82/52/06/496825206.db2.gz ZNTRVUNXOXKXRV-UHFFFAOYSA-N -1 3 362.223 3.362 20 0 FGADHM Cc1cc(NC([O-])=NOCc2cccnc2)cnc1N1CCCC[C@@H]1C ZINC000273509084 496826139 /nfs/dbraw/zinc/82/61/39/496826139.db2.gz QMXZCWBNVPKGON-HNNXBMFYSA-N -1 3 355.442 3.417 20 0 FGADHM Cc1cc(NC(=O)[N-]OCc2cccnc2)cnc1N1CCCC[C@@H]1C ZINC000273509084 496826144 /nfs/dbraw/zinc/82/61/44/496826144.db2.gz QMXZCWBNVPKGON-HNNXBMFYSA-N -1 3 355.442 3.417 20 0 FGADHM CCN1C(=S)N=NC1[C@@H]1CCCN(C(=O)c2ccc(C(C)C)cc2[O-])C1 ZINC000264312628 496869772 /nfs/dbraw/zinc/86/97/72/496869772.db2.gz DDGJRRHAOUIUPZ-CQSZACIVSA-N -1 3 374.510 3.436 20 0 FGADHM CCOc1cc(-c2noc(CNC(=O)CCC3CCCC3)n2)ccc1[O-] ZINC000277741640 496871807 /nfs/dbraw/zinc/87/18/07/496871807.db2.gz ACTGXPHBEBCSOJ-UHFFFAOYSA-N -1 3 359.426 3.428 20 0 FGADHM O=c1nc(Cc2noc([C@H]3CCCOC3)n2)[n-]c2scc(C3CC3)c21 ZINC000273705680 496879883 /nfs/dbraw/zinc/87/98/83/496879883.db2.gz HCWQCVIUYGAFKN-JTQLQIEISA-N -1 3 358.423 3.142 20 0 FGADHM O=C(N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)c1cccc2nn[n-]c21 ZINC000188696458 496880684 /nfs/dbraw/zinc/88/06/84/496880684.db2.gz ANRKBWIHBGYXQP-GDBMZVCRSA-N -1 3 360.776 3.010 20 0 FGADHM O=C(N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)c1cccc2[n-]nnc21 ZINC000188696458 496880689 /nfs/dbraw/zinc/88/06/89/496880689.db2.gz ANRKBWIHBGYXQP-GDBMZVCRSA-N -1 3 360.776 3.010 20 0 FGADHM O=C(N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)c1cccc2n[n-]nc21 ZINC000188696458 496880694 /nfs/dbraw/zinc/88/06/94/496880694.db2.gz ANRKBWIHBGYXQP-GDBMZVCRSA-N -1 3 360.776 3.010 20 0 FGADHM COc1ccc(CNC[C@](C)(O)c2cccs2)c(Br)c1[O-] ZINC000273713698 496881923 /nfs/dbraw/zinc/88/19/23/496881923.db2.gz LFZAKYKPXZQOFO-HNNXBMFYSA-N -1 3 372.284 3.222 20 0 FGADHM COc1ccc(CN[C@@H]2CCCc3c[nH]nc32)c(Br)c1[O-] ZINC000273721921 496885072 /nfs/dbraw/zinc/88/50/72/496885072.db2.gz MMAIAELDQQGTIM-LLVKDONJSA-N -1 3 352.232 3.054 20 0 FGADHM CCOc1cc(-c2noc([C@H](C)Sc3nnnn3C3CC3)n2)ccc1[O-] ZINC000277790631 496887209 /nfs/dbraw/zinc/88/72/09/496887209.db2.gz FBDXDRIDHVBWIA-VIFPVBQESA-N -1 3 374.426 3.016 20 0 FGADHM Cc1ccc(NC(=O)c2cc(F)cc3[n-]nnc32)c(OC[C@@H]2CCCO2)c1 ZINC000277832361 496903815 /nfs/dbraw/zinc/90/38/15/496903815.db2.gz XOIGFKOFKMQCKC-ZDUSSCGKSA-N -1 3 370.384 3.216 20 0 FGADHM Cc1ccc(NC(=O)c2cc(F)cc3nn[n-]c32)c(OC[C@@H]2CCCO2)c1 ZINC000277832361 496903818 /nfs/dbraw/zinc/90/38/18/496903818.db2.gz XOIGFKOFKMQCKC-ZDUSSCGKSA-N -1 3 370.384 3.216 20 0 FGADHM Cc1ccc(NC(=O)c2cc(F)cc3n[n-]nc32)c(OC[C@@H]2CCCO2)c1 ZINC000277832361 496903825 /nfs/dbraw/zinc/90/38/25/496903825.db2.gz XOIGFKOFKMQCKC-ZDUSSCGKSA-N -1 3 370.384 3.216 20 0 FGADHM CO[C@H](C)CCc1nc(Cc2nc(=O)c3c(C4CC4)csc3[n-]2)no1 ZINC000273787657 496907875 /nfs/dbraw/zinc/90/78/75/496907875.db2.gz SCMKFCJYSGHNRV-SECBINFHSA-N -1 3 360.439 3.216 20 0 FGADHM Cc1ccc(C(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)c(F)c1 ZINC000269283114 496911301 /nfs/dbraw/zinc/91/13/01/496911301.db2.gz RLLXVBLRJWCJCP-UHFFFAOYSA-N -1 3 356.397 3.331 20 0 FGADHM CCn1c2ccccc2nc1[C@@H]1CCCN1C(=O)c1ccc(O)cc1[O-] ZINC000195410046 496915942 /nfs/dbraw/zinc/91/59/42/496915942.db2.gz SGSLLNWNYLBYIZ-KRWDZBQOSA-N -1 3 351.406 3.445 20 0 FGADHM O=c1cc(-c2noc(CCCOc3ccc4c(c3)CCCC4)n2)nc[n-]1 ZINC000574876273 505873634 /nfs/dbraw/zinc/87/36/34/505873634.db2.gz AXBHDOGRHBLYIK-UHFFFAOYSA-N -1 3 352.394 3.123 20 0 FGADHM C[C@H](Oc1cccc2ccccc21)C(=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000195446775 496924017 /nfs/dbraw/zinc/92/40/17/496924017.db2.gz FWEWBUNQCJPCPA-ZDUSSCGKSA-N -1 3 359.389 3.426 20 0 FGADHM C[C@H](Oc1cccc2ccccc21)C(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000195446775 496924021 /nfs/dbraw/zinc/92/40/21/496924021.db2.gz FWEWBUNQCJPCPA-ZDUSSCGKSA-N -1 3 359.389 3.426 20 0 FGADHM C[C@H](Oc1cccc2ccccc21)C(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000195446775 496924025 /nfs/dbraw/zinc/92/40/25/496924025.db2.gz FWEWBUNQCJPCPA-ZDUSSCGKSA-N -1 3 359.389 3.426 20 0 FGADHM Cc1nn(C)cc1[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000191927612 496933569 /nfs/dbraw/zinc/93/35/69/496933569.db2.gz XDFKJYKTHAIBKM-QMMMGPOBSA-N -1 3 366.245 3.214 20 0 FGADHM CCCNC(=O)Cc1noc(-c2cc(OCc3ccccc3)ccc2[O-])n1 ZINC000277923932 496936755 /nfs/dbraw/zinc/93/67/55/496936755.db2.gz MJQFNMAQLWZASW-UHFFFAOYSA-N -1 3 367.405 3.090 20 0 FGADHM CC[C@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)c1nnc2n1CCCCC2 ZINC000264596231 496939092 /nfs/dbraw/zinc/93/90/92/496939092.db2.gz YQAMVICQTSGCJZ-AWEZNQCLSA-N -1 3 365.437 3.139 20 0 FGADHM O=S(=O)([N-][C@H]1CCC[C@H]1CCO)c1cc2cc(Cl)ccc2s1 ZINC000188913275 496945576 /nfs/dbraw/zinc/94/55/76/496945576.db2.gz ZHFRDMXKAWINFD-GWCFXTLKSA-N -1 3 359.900 3.384 20 0 FGADHM C[C@@H]1Oc2ccc(NC(=O)c3cc([O-])ccc3C(F)(F)F)cc2NC1=O ZINC000188928614 496951222 /nfs/dbraw/zinc/95/12/22/496951222.db2.gz YTVOGYUDRRRIIB-QMMMGPOBSA-N -1 3 366.295 3.383 20 0 FGADHM Cc1ccc(NC(=O)c2cn[n-]c2-c2ccsc2)cc1S(C)(=O)=O ZINC000188933796 496952179 /nfs/dbraw/zinc/95/21/79/496952179.db2.gz VQELGQWOSULGOD-UHFFFAOYSA-N -1 3 361.448 3.102 20 0 FGADHM Cc1ccc(NC(=O)c2c[n-]nc2-c2ccsc2)cc1S(C)(=O)=O ZINC000188933796 496952184 /nfs/dbraw/zinc/95/21/84/496952184.db2.gz VQELGQWOSULGOD-UHFFFAOYSA-N -1 3 361.448 3.102 20 0 FGADHM CCCCc1oc2ccccc2c1CN(C)C(=O)C(=O)[N-]c1cnns1 ZINC000191985199 496953428 /nfs/dbraw/zinc/95/34/28/496953428.db2.gz RZDRMIUTWCULTR-UHFFFAOYSA-N -1 3 372.450 3.224 20 0 FGADHM Cc1cccc(C(=O)NC[C@H](c2ccc(Cl)cc2)N2CCOCC2)c1[O-] ZINC000195721751 496962855 /nfs/dbraw/zinc/96/28/55/496962855.db2.gz 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FGADHM COC(=O)[C@@H](C)Cc1ccc(NC(=O)c2n[n-]nc2-c2ccccc2)cc1 ZINC000192241973 497045521 /nfs/dbraw/zinc/04/55/21/497045521.db2.gz PACRPJQGUAPMHP-ZDUSSCGKSA-N -1 3 364.405 3.076 20 0 FGADHM Cn1ncnc1[N-]C(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000189214964 497048122 /nfs/dbraw/zinc/04/81/22/497048122.db2.gz LXVOIGWSTZBQAZ-LBPRGKRZSA-N -1 3 365.821 3.060 20 0 FGADHM COC(=O)c1nc[n-]c1NC(=O)COc1ccc(Cl)c2ccccc12 ZINC000572069067 505881394 /nfs/dbraw/zinc/88/13/94/505881394.db2.gz QYUPSIOCRUVJDJ-UHFFFAOYSA-N -1 3 359.769 3.020 20 0 FGADHM COC(=O)c1[n-]cnc1NC(=O)COc1ccc(Cl)c2ccccc12 ZINC000572069067 505881398 /nfs/dbraw/zinc/88/13/98/505881398.db2.gz QYUPSIOCRUVJDJ-UHFFFAOYSA-N -1 3 359.769 3.020 20 0 FGADHM CCc1ccc(CS(=O)(=O)[N-]Cc2nc(C(F)(F)F)cs2)cc1 ZINC000274348553 497076521 /nfs/dbraw/zinc/07/65/21/497076521.db2.gz CTCWISCJGRHJAK-UHFFFAOYSA-N -1 3 364.414 3.344 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1cncc(Cl)c1)c1nc(C(F)(F)F)cs1 ZINC000278328693 497076662 /nfs/dbraw/zinc/07/66/62/497076662.db2.gz 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/nfs/dbraw/zinc/10/66/27/497106627.db2.gz CMQKIPLNCGJODW-GHMZBOCLSA-N -1 3 362.289 3.172 20 0 FGADHM CCCN1C(=O)CCc2cc(NC(=O)c3cc(F)cc4[n-]nnc43)ccc21 ZINC000278426722 497109525 /nfs/dbraw/zinc/10/95/25/497109525.db2.gz RHGFBJHGKFKJBO-UHFFFAOYSA-N -1 3 367.384 3.039 20 0 FGADHM CCCN1C(=O)CCc2cc(NC(=O)c3cc(F)cc4nn[n-]c43)ccc21 ZINC000278426722 497109527 /nfs/dbraw/zinc/10/95/27/497109527.db2.gz RHGFBJHGKFKJBO-UHFFFAOYSA-N -1 3 367.384 3.039 20 0 FGADHM CCCN1C(=O)CCc2cc(NC(=O)c3cc(F)cc4n[n-]nc43)ccc21 ZINC000278426722 497109530 /nfs/dbraw/zinc/10/95/30/497109530.db2.gz RHGFBJHGKFKJBO-UHFFFAOYSA-N -1 3 367.384 3.039 20 0 FGADHM CC(C)(C)c1nnc2ccc(C(=O)N3CCCc4cccc([O-])c43)cn21 ZINC000274496729 497111242 /nfs/dbraw/zinc/11/12/42/497111242.db2.gz DCMGMXJAPKGFTL-UHFFFAOYSA-N -1 3 350.422 3.325 20 0 FGADHM O=C(CNC(=O)c1cccc([O-])c1)N1CCC[C@H]1c1ccccc1Cl ZINC000274536303 497119814 /nfs/dbraw/zinc/11/98/14/497119814.db2.gz VBKWHMNQHUPAAB-KRWDZBQOSA-N -1 3 358.825 3.139 20 0 FGADHM CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)c1ccc(C(=O)[O-])o1 ZINC000236674538 497131208 /nfs/dbraw/zinc/13/12/08/497131208.db2.gz ABZSZQVPOKXIRM-SFHVURJKSA-N -1 3 370.449 3.181 20 0 FGADHM CCCCOc1ccc(C(=O)N[C@@H]2CCC[C@H]([S@](=O)CC)C2)c([O-])c1 ZINC000248906047 497131353 /nfs/dbraw/zinc/13/13/53/497131353.db2.gz OTXGRKMTNJYMDH-PYCCUYLESA-N -1 3 367.511 3.381 20 0 FGADHM CCOc1cc2c(cc1NC(=O)c1cc(-c3ccc(C)o3)[n-]n1)OCCO2 ZINC000189561498 497164268 /nfs/dbraw/zinc/16/42/68/497164268.db2.gz ANIGVLUUPRKBLM-UHFFFAOYSA-N -1 3 369.377 3.400 20 0 FGADHM CCOc1cc2c(cc1NC(=O)c1cc(-c3ccc(C)o3)n[n-]1)OCCO2 ZINC000189561498 497164271 /nfs/dbraw/zinc/16/42/71/497164271.db2.gz ANIGVLUUPRKBLM-UHFFFAOYSA-N -1 3 369.377 3.400 20 0 FGADHM CC[C@H](C)N(CC(=O)[O-])C(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000236913799 497166838 /nfs/dbraw/zinc/16/68/38/497166838.db2.gz BQNGLSFTQGEAFJ-IRXDYDNUSA-N -1 3 360.498 3.041 20 0 FGADHM CO[C@@H](Cc1ccccc1)CS(=O)(=O)[N-]c1ccc2ccn(C)c2c1 ZINC000581005235 505888715 /nfs/dbraw/zinc/88/87/15/505888715.db2.gz VIPUWHPWMFEJNM-SFHVURJKSA-N -1 3 358.463 3.178 20 0 FGADHM COc1ccc(CCCN(C)C(=O)c2cc(OC)c([O-])c(OC)c2)cc1 ZINC000270653708 497172104 /nfs/dbraw/zinc/17/21/04/497172104.db2.gz KRUNRAQAAKIZBX-UHFFFAOYSA-N -1 3 359.422 3.123 20 0 FGADHM CS(=O)(=O)[N-]c1cc(NC(=O)c2c(F)cccc2Cl)ccc1F ZINC000192666584 497179942 /nfs/dbraw/zinc/17/99/42/497179942.db2.gz MUOMZURSRINUQX-UHFFFAOYSA-N -1 3 360.769 3.242 20 0 FGADHM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000237040937 497183911 /nfs/dbraw/zinc/18/39/11/497183911.db2.gz GAYDQVDOYKPHQX-IBGZPJMESA-N -1 3 352.434 3.008 20 0 FGADHM CN(C)CCN(CC(=O)[O-])C(=O)c1ccc2c(c1)C(C)(C)CCC2(C)C ZINC000237136732 497195716 /nfs/dbraw/zinc/19/57/16/497195716.db2.gz KJQLSQVTYSIXSG-UHFFFAOYSA-N -1 3 360.498 3.124 20 0 FGADHM CN(C)CCN(CC(=O)[O-])C(=O)c1cc(-c2ccccc2)ccc1Cl ZINC000237139125 497196776 /nfs/dbraw/zinc/19/67/76/497196776.db2.gz OOUMSXKADICDBW-UHFFFAOYSA-N -1 3 360.841 3.095 20 0 FGADHM CN(C)CCN(CC(=O)[O-])C(=O)c1ccc(SCc2ccccc2)cc1 ZINC000237141401 497196949 /nfs/dbraw/zinc/19/69/49/497196949.db2.gz NRMFAHXCAJICSI-UHFFFAOYSA-N -1 3 372.490 3.067 20 0 FGADHM CCc1ccc(C(=O)Nc2ccc(N3C(=O)CCCC3=O)cc2)c([O-])c1 ZINC000189669849 497204212 /nfs/dbraw/zinc/20/42/12/497204212.db2.gz BKDIBYXZMGLFTI-UHFFFAOYSA-N -1 3 352.390 3.250 20 0 FGADHM C[C@H](Oc1cccc2ccccc21)C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000192757887 497205824 /nfs/dbraw/zinc/20/58/24/497205824.db2.gz XETXQXLAEIJKFJ-AWEZNQCLSA-N -1 3 373.416 3.350 20 0 FGADHM C[C@H](Oc1cccc2ccccc21)C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000192757887 497205828 /nfs/dbraw/zinc/20/58/28/497205828.db2.gz XETXQXLAEIJKFJ-AWEZNQCLSA-N -1 3 373.416 3.350 20 0 FGADHM Cc1ccc(NC(=O)COC2CCN(C(=O)OC(C)(C)C)CC2)c([O-])c1 ZINC000274969314 497207378 /nfs/dbraw/zinc/20/73/78/497207378.db2.gz HOJCBISDSNBMCT-UHFFFAOYSA-N -1 3 364.442 3.055 20 0 FGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H](C)c1ncc(C)s1 ZINC000278755259 497210433 /nfs/dbraw/zinc/21/04/33/497210433.db2.gz JSJFJNHYEOUHCQ-SECBINFHSA-N -1 3 360.888 3.196 20 0 FGADHM CSCc1ccccc1NC(=O)NCCCNC(=O)c1cccc([O-])c1 ZINC000275031837 497223104 /nfs/dbraw/zinc/22/31/04/497223104.db2.gz WILGJSMBOLAXRR-UHFFFAOYSA-N -1 3 373.478 3.197 20 0 FGADHM O=C([N-]OC[C@@H]1CCOC1)Nc1cc(F)c(N2CCCCC2)c(F)c1 ZINC000189766989 497237319 /nfs/dbraw/zinc/23/73/19/497237319.db2.gz ARPJMZAQJLXEAL-GFCCVEGCSA-N -1 3 355.385 3.045 20 0 FGADHM CC[C@@]1(CO)CCCN(Cc2ccc(OC)c([O-])c2Br)C1 ZINC000275145981 497243927 /nfs/dbraw/zinc/24/39/27/497243927.db2.gz QDMNPYJPYSAJOZ-MRXNPFEDSA-N -1 3 358.276 3.148 20 0 FGADHM C[C@@H](c1ccncc1)N1CCC(N=c2[n-]nc(C(F)(F)F)s2)CC1 ZINC000578233241 505893970 /nfs/dbraw/zinc/89/39/70/505893970.db2.gz SGCMWSHAWRYMNF-JTQLQIEISA-N -1 3 357.405 3.011 20 0 FGADHM C[C@@H](C(=O)[O-])N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000237527275 497251029 /nfs/dbraw/zinc/25/10/29/497251029.db2.gz RVCRWYFJNDBGNZ-AWEZNQCLSA-N -1 3 360.404 3.145 20 0 FGADHM NC(=O)CCC1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CC1 ZINC000271066392 497256643 /nfs/dbraw/zinc/25/66/43/497256643.db2.gz JLBJKGXDUVTLIQ-UHFFFAOYSA-N -1 3 366.461 3.101 20 0 FGADHM CCCCNC(=O)[C@@H]1CCCN(C(=O)c2cc([O-])ccc2C(F)(F)F)C1 ZINC000193016152 497275988 /nfs/dbraw/zinc/27/59/88/497275988.db2.gz KWAKLVOMRPQQLG-GFCCVEGCSA-N -1 3 372.387 3.180 20 0 FGADHM CCc1[nH]nc(C(=O)[N-]c2nnc(CC(C)C)s2)c1Br ZINC000278975185 497287723 /nfs/dbraw/zinc/28/77/23/497287723.db2.gz IUDSBDZQAHQXJB-UHFFFAOYSA-N -1 3 358.265 3.037 20 0 FGADHM CCN(C[C@H]1CCN(C(=O)c2cc([O-])ccc2Cl)C1)CC(F)(F)F ZINC000278976927 497288160 /nfs/dbraw/zinc/28/81/60/497288160.db2.gz YBNRHNHWHZRRCZ-LLVKDONJSA-N -1 3 364.795 3.392 20 0 FGADHM COc1ccc(C[C@@H](C)CNC(=O)c2cc(OC)c([O-])c(OC)c2)cc1 ZINC000271216747 497293448 /nfs/dbraw/zinc/29/34/48/497293448.db2.gz ZGLHYNXTJAHJEF-CYBMUJFWSA-N -1 3 359.422 3.027 20 0 FGADHM Cc1cccc([O-])c1NC(=O)COC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000275342933 497296472 /nfs/dbraw/zinc/29/64/72/497296472.db2.gz XOCLDVZWUNQVHK-UHFFFAOYSA-N -1 3 364.442 3.055 20 0 FGADHM CCCCOc1ccc(C(=O)N[C@@H](C)c2nnc3ccccn32)c([O-])c1 ZINC000190037292 497333863 /nfs/dbraw/zinc/33/38/63/497333863.db2.gz UJJCYBQRXKPEGZ-ZDUSSCGKSA-N -1 3 354.410 3.105 20 0 FGADHM CCCS(=O)(=O)Cc1nc(=O)c2c([n-]1)sc(C)c2-c1ccccc1 ZINC000193260024 497335363 /nfs/dbraw/zinc/33/53/63/497335363.db2.gz BCCQJNLCMKKNSS-UHFFFAOYSA-N -1 3 362.476 3.285 20 0 FGADHM CO[C@@H](C)CS(=O)(=O)[N-]c1cc(NC(=O)c2ccccc2)ccc1C ZINC000193312946 497346661 /nfs/dbraw/zinc/34/66/61/497346661.db2.gz YRQHWRCWPUUCDI-AWEZNQCLSA-N -1 3 362.451 3.024 20 0 FGADHM C[C@]1(c2cccc(NC(=O)CC/C=C\c3ccccc3)c2)NC(=O)[N-]C1=O ZINC000255542077 497369891 /nfs/dbraw/zinc/36/98/91/497369891.db2.gz YOLPSQQIWJBBJI-UVLKTZJFSA-N -1 3 363.417 3.173 20 0 FGADHM CCOC(=O)c1csc([C@H]2CCCN2C(=O)c2cc(C)ccc2[O-])n1 ZINC000190232528 497408851 /nfs/dbraw/zinc/40/88/51/497408851.db2.gz LZQGEIVBWDXGKY-CQSZACIVSA-N -1 3 360.435 3.311 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)c3csc(C(F)(F)F)n3)[n-]c21 ZINC000193619823 497429312 /nfs/dbraw/zinc/42/93/12/497429312.db2.gz IDDXGNCGUNBBEP-UHFFFAOYSA-N -1 3 370.312 3.077 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3csc(C(F)(F)F)n3)nc21 ZINC000193619823 497429318 /nfs/dbraw/zinc/42/93/18/497429318.db2.gz IDDXGNCGUNBBEP-UHFFFAOYSA-N -1 3 370.312 3.077 20 0 FGADHM Cc1nc(C)c(CCC(=O)N2CC[C@H](Cc3ccccc3)[C@@H]2C)c(=O)[n-]1 ZINC000266889084 497438858 /nfs/dbraw/zinc/43/88/58/497438858.db2.gz RPBFJUYKQSHFIX-MAUKXSAKSA-N -1 3 353.466 3.211 20 0 FGADHM COc1ccc2[nH]c(C(=O)Nc3ccc(-c4nc(C)cc(=O)[n-]4)cc3)cc2c1 ZINC000190370813 497453943 /nfs/dbraw/zinc/45/39/43/497453943.db2.gz JPLBRSLRIXAPFA-UHFFFAOYSA-N -1 3 374.400 3.488 20 0 FGADHM CC[C@](C)(O)CN(Cc1ccccc1)C(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000275893590 497457574 /nfs/dbraw/zinc/45/75/74/497457574.db2.gz JINXLZCTHWLFEK-NRFANRHFSA-N -1 3 373.449 3.213 20 0 FGADHM CC[C@H]1CC[C@H](C)N1C(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000271818108 497460133 /nfs/dbraw/zinc/46/01/33/497460133.db2.gz PTUSXDQAZDHQOD-BBRMVZONSA-N -1 3 354.454 3.275 20 0 FGADHM COCCOc1ccc(F)cc1S(=O)(=O)[N-][C@H](C)c1ccccc1C ZINC000190457298 497485810 /nfs/dbraw/zinc/48/58/10/497485810.db2.gz FFAFQJFAVNKONI-CQSZACIVSA-N -1 3 367.442 3.199 20 0 FGADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(c2ncc(Cl)cn2)CC1 ZINC000267110482 497486916 /nfs/dbraw/zinc/48/69/16/497486916.db2.gz RBWHMWOLDUQRGN-UHFFFAOYSA-N -1 3 367.236 3.344 20 0 FGADHM CN1CC[C@H]([N-]S(=O)(=O)c2ccc(Cl)s2)[C@H]1c1ccccc1 ZINC000245649896 497488342 /nfs/dbraw/zinc/48/83/42/497488342.db2.gz MQLGHHFFHHUMCE-SWLSCSKDSA-N -1 3 356.900 3.125 20 0 FGADHM CC(C)c1nn(-c2ccc(Br)cc2)cc1CNCCC(=O)[O-] ZINC000262004102 497490954 /nfs/dbraw/zinc/49/09/54/497490954.db2.gz LQUOSDQGQIYKEN-UHFFFAOYSA-N -1 3 366.259 3.323 20 0 FGADHM Cc1nn2c(C[N-]c3nnc([C@@H]4Cc5ccccc5O4)o3)c(C)nc2s1 ZINC000272004826 497509148 /nfs/dbraw/zinc/50/91/48/497509148.db2.gz XIGICAKOAOKGRT-AWEZNQCLSA-N -1 3 368.422 3.079 20 0 FGADHM CN(C(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2cc(=O)c3ccccc3[n-]2)C1 ZINC000267245243 497509804 /nfs/dbraw/zinc/50/98/04/497509804.db2.gz CIHKYYLBZPXIKD-ZDUSSCGKSA-N -1 3 371.437 3.022 20 0 FGADHM C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000262155476 497516766 /nfs/dbraw/zinc/51/67/66/497516766.db2.gz NLVATYMWPZWGOO-PLQHRBFRSA-N -1 3 370.371 3.219 20 0 FGADHM COC[C@H]([N-]S(=O)(=O)c1cc(C(C)C)c(OC)cc1C)c1ccco1 ZINC000193930486 497523186 /nfs/dbraw/zinc/52/31/86/497523186.db2.gz QBDPGORPBSMZEC-HNNXBMFYSA-N -1 3 367.467 3.386 20 0 FGADHM CC(=O)c1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)c(C)c3)C2)c1[O-] ZINC000575061566 505912346 /nfs/dbraw/zinc/91/23/46/505912346.db2.gz IWUDSWKSJZYZID-CYBMUJFWSA-N -1 3 370.380 3.034 20 0 FGADHM CCC(CC)N(CC(C)C)C(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000267358199 497532587 /nfs/dbraw/zinc/53/25/87/497532587.db2.gz WBKDMRSUFYLHKQ-UHFFFAOYSA-N -1 3 358.479 3.484 20 0 FGADHM O=S(=O)([N-]CCCOC(F)F)c1ccc(Cl)cc1C(F)(F)F ZINC000193962297 497534165 /nfs/dbraw/zinc/53/41/65/497534165.db2.gz SPBXFHIRIJTYQT-UHFFFAOYSA-N -1 3 367.723 3.266 20 0 FGADHM CCOC(CC[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)OCC ZINC000276333675 497547401 /nfs/dbraw/zinc/54/74/01/497547401.db2.gz IXATVXLBDZOVCB-UHFFFAOYSA-N -1 3 356.271 3.061 20 0 FGADHM CCCN(CCC)C(=O)c1ccc(NC(=O)[N-]OC[C@H]2CCOC2)cc1 ZINC000276398489 497564603 /nfs/dbraw/zinc/56/46/03/497564603.db2.gz ODKXDEJTTJBRTD-HNNXBMFYSA-N -1 3 363.458 3.038 20 0 FGADHM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CC=CCC1 ZINC000190676355 497568916 /nfs/dbraw/zinc/56/89/16/497568916.db2.gz RZZWAGOWJRCZOH-GXTWGEPZSA-N -1 3 359.875 3.141 20 0 FGADHM COCc1nc(S[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)n[n-]1 ZINC000276574852 497604570 /nfs/dbraw/zinc/60/45/70/497604570.db2.gz OGXWQSZEBYDOTO-LLVKDONJSA-N -1 3 373.265 3.156 20 0 FGADHM [O-]C(=NOCc1cccnc1)Nc1ccccc1OC[C@@H]1CCCCO1 ZINC000272354796 497605370 /nfs/dbraw/zinc/60/53/70/497605370.db2.gz PBLVRACAZSTAOX-INIZCTEOSA-N -1 3 357.410 3.283 20 0 FGADHM O=C([N-]OCc1cccnc1)Nc1ccccc1OC[C@@H]1CCCCO1 ZINC000272354796 497605374 /nfs/dbraw/zinc/60/53/74/497605374.db2.gz PBLVRACAZSTAOX-INIZCTEOSA-N -1 3 357.410 3.283 20 0 FGADHM COCCOc1c(Cl)cccc1NC([O-])=NOCc1cccnc1 ZINC000272400369 497618754 /nfs/dbraw/zinc/61/87/54/497618754.db2.gz XJVBYQKOLLFEPB-UHFFFAOYSA-N -1 3 351.790 3.014 20 0 FGADHM COCCOc1c(Cl)cccc1NC(=O)[N-]OCc1cccnc1 ZINC000272400369 497618757 /nfs/dbraw/zinc/61/87/57/497618757.db2.gz XJVBYQKOLLFEPB-UHFFFAOYSA-N -1 3 351.790 3.014 20 0 FGADHM CO[C@@]1(C)CCCN(C(=O)NCc2ccc([O-])c(Br)c2)CC1 ZINC000280056128 497633392 /nfs/dbraw/zinc/63/33/92/497633392.db2.gz YBDSJKNIPVGLDL-INIZCTEOSA-N -1 3 371.275 3.255 20 0 FGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2cccc3c2CCC3)cc1OC ZINC000194380740 497649288 /nfs/dbraw/zinc/64/92/88/497649288.db2.gz VDQJLJSWYREUFA-UHFFFAOYSA-N -1 3 374.462 3.198 20 0 FGADHM O=C(Cc1ccc(I)cc1)Nc1cc(F)ccc1[O-] ZINC000190962381 497663090 /nfs/dbraw/zinc/66/30/90/497663090.db2.gz JEFPKMVEQIPUCL-UHFFFAOYSA-N -1 3 371.149 3.317 20 0 FGADHM O=C(CNC(=O)c1ccccc1OC(F)F)Nc1cc(Cl)ccc1[O-] ZINC000194430325 497664756 /nfs/dbraw/zinc/66/47/56/497664756.db2.gz HVROIYUPLJWMGE-UHFFFAOYSA-N -1 3 370.739 3.016 20 0 FGADHM C[C@@H]1CCN(C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000272575371 497666975 /nfs/dbraw/zinc/66/69/75/497666975.db2.gz SQNALVSKATZALK-DNVCBOLYSA-N -1 3 352.434 3.122 20 0 FGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1c2ccccc2O[C@@H]1C ZINC000569383366 505921899 /nfs/dbraw/zinc/92/18/99/505921899.db2.gz VRPRZELLNDJALF-HWPZZCPQSA-N -1 3 353.827 3.149 20 0 FGADHM CC[C@H](C)C(=O)Nc1cccc(CNC(=O)c2ccc([O-])c(OC)c2)c1 ZINC000268071639 497672761 /nfs/dbraw/zinc/67/27/61/497672761.db2.gz KLWLMSMQZKXQFP-ZDUSSCGKSA-N -1 3 356.422 3.315 20 0 FGADHM Cc1csc(C(=O)N2CCN(C(=O)c3cccc([O-])c3)CC2)c1Cl ZINC000276869920 497674185 /nfs/dbraw/zinc/67/41/85/497674185.db2.gz KAMWPZPPMBDBDL-UHFFFAOYSA-N -1 3 364.854 3.014 20 0 FGADHM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccncc1F ZINC000190997348 497677663 /nfs/dbraw/zinc/67/76/63/497677663.db2.gz NQKDJIBLFPAYIF-JTQLQIEISA-N -1 3 374.821 3.089 20 0 FGADHM COc1cc(C(=O)NC2(c3ccc(F)cc3F)CCOCC2)ccc1[O-] ZINC000272610823 497679072 /nfs/dbraw/zinc/67/90/72/497679072.db2.gz HIGCQBTVZZTILU-UHFFFAOYSA-N -1 3 363.360 3.115 20 0 FGADHM COc1cc(C(=O)NCCc2nc3ccccc3n2C(C)C)ccc1[O-] ZINC000268108340 497679453 /nfs/dbraw/zinc/67/94/53/497679453.db2.gz YMIFALWCRPMRMN-UHFFFAOYSA-N -1 3 353.422 3.304 20 0 FGADHM CCc1ccc([C@@H]2CN(C(=O)c3cc(OC)c([O-])c(OC)c3)CCO2)cc1 ZINC000276918973 497687834 /nfs/dbraw/zinc/68/78/34/497687834.db2.gz PJNIELCATRQCMG-IBGZPJMESA-N -1 3 371.433 3.186 20 0 FGADHM CCc1ccc([C@H]2CN(C(=O)c3cc(OC)c([O-])c(OC)c3)CCO2)cc1 ZINC000276918975 497687861 /nfs/dbraw/zinc/68/78/61/497687861.db2.gz PJNIELCATRQCMG-LJQANCHMSA-N -1 3 371.433 3.186 20 0 FGADHM Cc1nn(-c2ccc(F)cc2F)c(C)c1CN1C[C@@H](C)C[C@H](C(=O)[O-])C1 ZINC000263057267 497694723 /nfs/dbraw/zinc/69/47/23/497694723.db2.gz LYNLMCOOSAGXJB-FZMZJTMJSA-N -1 3 363.408 3.310 20 0 FGADHM C[C@H](C(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C)N1CCC(Cc2ccccc2)CC1 ZINC000263149538 497717434 /nfs/dbraw/zinc/71/74/34/497717434.db2.gz HICNCLYERYJWAS-SQGPQFPESA-N -1 3 372.509 3.041 20 0 FGADHM COc1cc(OC)cc(-c2nnc(S[C@H](C)c3nc(C)cc(=O)[n-]3)o2)c1 ZINC000268349089 497730977 /nfs/dbraw/zinc/73/09/77/497730977.db2.gz QMQYQVIPAJSRFS-SNVBAGLBSA-N -1 3 374.422 3.411 20 0 FGADHM CCOc1ccc(S(=O)(=O)[N-]c2cc(C(C)=O)ccc2Cl)cn1 ZINC000191178746 497734805 /nfs/dbraw/zinc/73/48/05/497734805.db2.gz VGZUJSFQSMKINT-UHFFFAOYSA-N -1 3 354.815 3.137 20 0 FGADHM COc1cc(C(=O)N2CCC[C@H]2Cn2cnc3ccccc32)ccc1[O-] ZINC000277123077 497748273 /nfs/dbraw/zinc/74/82/73/497748273.db2.gz ONWXWLZHUANQLV-HNNXBMFYSA-N -1 3 351.406 3.055 20 0 FGADHM C[C@@H]1CN(Cc2cc(Cl)ccc2OCc2cccnc2)C[C@H]1C(=O)[O-] ZINC000263369426 497769693 /nfs/dbraw/zinc/76/96/93/497769693.db2.gz UXHBTXLPCMCHHL-CXAGYDPISA-N -1 3 360.841 3.467 20 0 FGADHM O=C([O-])[C@H]1CCCN(Cc2cn(-c3ccccc3)nc2-c2ccncc2)C1 ZINC000263409940 497778014 /nfs/dbraw/zinc/77/80/14/497778014.db2.gz LBGNOYCRKDOWHH-KRWDZBQOSA-N -1 3 362.433 3.231 20 0 FGADHM COc1ccc2c(c1)[C@@H](C(=O)Nc1n[n-]c(-c3ccccc3OC)n1)CC2 ZINC000277223787 497781424 /nfs/dbraw/zinc/78/14/24/497781424.db2.gz LYMLQAVGVUGFKI-AWEZNQCLSA-N -1 3 364.405 3.157 20 0 FGADHM CCOc1cc(CN2CCC[C@H](C(=O)[O-])C2)ccc1OCC(F)(F)F ZINC000263450085 497784304 /nfs/dbraw/zinc/78/43/04/497784304.db2.gz ZFKVZQBRPVQNRU-ZDUSSCGKSA-N -1 3 361.360 3.323 20 0 FGADHM C[C@@H](CN1CCOCC1)N(Cc1ccccc1)Cc1cccc(C(=O)[O-])c1 ZINC000263504222 497792471 /nfs/dbraw/zinc/79/24/71/497792471.db2.gz WOEJXSOLOKMHEN-SFHVURJKSA-N -1 3 368.477 3.108 20 0 FGADHM CCOc1c(Cl)cc(CN2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)cc1OC ZINC000263505830 497793032 /nfs/dbraw/zinc/79/30/32/497793032.db2.gz LZPHRALILMXNTF-SCLBCKFNSA-N -1 3 353.846 3.434 20 0 FGADHM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1cc([O-])ccc1Br ZINC000263517736 497794586 /nfs/dbraw/zinc/79/45/86/497794586.db2.gz PLEDJDYQAHGMAJ-VQISRLSMSA-N -1 3 354.244 3.372 20 0 FGADHM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1cc([O-])ccc1Br ZINC000263517736 497794588 /nfs/dbraw/zinc/79/45/88/497794588.db2.gz PLEDJDYQAHGMAJ-VQISRLSMSA-N -1 3 354.244 3.372 20 0 FGADHM CC1(C)[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2Cl)[C@H]2CCO[C@H]21 ZINC000246725342 497804638 /nfs/dbraw/zinc/80/46/38/497804638.db2.gz DJQKXRKRLXGORL-BZHVJNSISA-N -1 3 350.267 3.085 20 0 FGADHM COC(=O)CCSc1ncccc1[N-]C(=O)c1ccc(SC)o1 ZINC000273165897 497806163 /nfs/dbraw/zinc/80/61/63/497806163.db2.gz AUILLAOZAIFNNE-UHFFFAOYSA-N -1 3 352.437 3.304 20 0 FGADHM CCOC(=O)CN(C)Cc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000263663306 497806614 /nfs/dbraw/zinc/80/66/14/497806614.db2.gz DYIMTPOLENOVCU-UHFFFAOYSA-N -1 3 357.435 3.059 20 0 FGADHM CC1(C)[C@H]([N-]S(=O)(=O)c2cccc(Cl)c2Cl)[C@@H]2CCO[C@H]21 ZINC000246867046 497817638 /nfs/dbraw/zinc/81/76/38/497817638.db2.gz KWUYTYKZRYEYQK-ZEGGKSINSA-N -1 3 350.267 3.085 20 0 FGADHM CC(C)(C)c1cc(C(=O)[N-]c2nnc3ccc(Br)cn32)no1 ZINC000295839282 497825988 /nfs/dbraw/zinc/82/59/88/497825988.db2.gz JDJYLPADMPKIEC-UHFFFAOYSA-N -1 3 364.203 3.030 20 0 FGADHM O=S(=O)(CC12CCC(CC1)C2)[N-]C1(c2noc(C3CC3)n2)CCCC1 ZINC000329582610 497835317 /nfs/dbraw/zinc/83/53/17/497835317.db2.gz AOJZLINWSOIDBN-UHFFFAOYSA-N -1 3 365.499 3.216 20 0 FGADHM O=C(c1cc([O-])ccc1C(F)(F)F)N1CCC[C@@H](N2CCCC2=O)CC1 ZINC000334003069 497843854 /nfs/dbraw/zinc/84/38/54/497843854.db2.gz SOEMEXIRHBVMRS-GFCCVEGCSA-N -1 3 370.371 3.028 20 0 FGADHM C[C@@]12CCCN1C[C@H](c1noc(-c3cc([O-])ccc3C(F)(F)F)n1)OC2 ZINC000329615143 497846257 /nfs/dbraw/zinc/84/62/57/497846257.db2.gz SDTOIGBGMSQCKC-CJNGLKHVSA-N -1 3 369.343 3.387 20 0 FGADHM CCCc1nc(C)c(C[N-]S(=O)(=O)Cc2ccc(Cl)c(F)c2)o1 ZINC000292046201 497854246 /nfs/dbraw/zinc/85/42/46/497854246.db2.gz MZYGBHDXNNJFFK-UHFFFAOYSA-N -1 3 360.838 3.348 20 0 FGADHM C[C@H]1CCn2ncc(C(=O)N=c3cc(-c4cccc(Cl)c4)o[n-]3)c2C1 ZINC000575184167 505938388 /nfs/dbraw/zinc/93/83/88/505938388.db2.gz FZDHCPQNRGKDGL-NSHDSACASA-N -1 3 356.813 3.448 20 0 FGADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@@H](C)N(C)CC(F)(F)F ZINC000295946332 497864445 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O=C([N-]OCCC(F)(F)F)Nc1ccc2c(c1)CN(CC(F)F)C2 ZINC000296879354 498234245 /nfs/dbraw/zinc/23/42/45/498234245.db2.gz CDTGRYDXLKJREY-UHFFFAOYSA-N -1 3 353.291 3.273 20 0 FGADHM C[C@H](CCC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)c1ccccc1 ZINC000281680239 498235440 /nfs/dbraw/zinc/23/54/40/498235440.db2.gz KNMACRUIPIERQK-CQSZACIVSA-N -1 3 370.415 3.487 20 0 FGADHM CC1(C)[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)[C@H]2CCCO[C@@H]21 ZINC000572579936 506002720 /nfs/dbraw/zinc/00/27/20/506002720.db2.gz HUBHHDHHZAVWEL-HONMWMINSA-N -1 3 364.294 3.475 20 0 FGADHM COCCNC(=O)c1cccc(NC(=O)c2cc([O-])c3ccccc3c2)c1 ZINC000569728809 506002833 /nfs/dbraw/zinc/00/28/33/506002833.db2.gz ZRVPTBBIJIMRHE-UHFFFAOYSA-N -1 3 364.401 3.174 20 0 FGADHM Cc1c(C(C)(C)C)nn(-c2ccccc2)c1NC([O-])=NOC(C)(C)CO ZINC000296945881 498261864 /nfs/dbraw/zinc/26/18/64/498261864.db2.gz RAUGRCKHNVWVQJ-UHFFFAOYSA-N -1 3 360.458 3.302 20 0 FGADHM Cc1c(C(C)(C)C)nn(-c2ccccc2)c1NC(=O)[N-]OC(C)(C)CO ZINC000296945881 498261867 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COc1cc(CNCc2ccc([O-])c(F)c2)cc(OC)c1OCC(F)F ZINC000289765990 498283933 /nfs/dbraw/zinc/28/39/33/498283933.db2.gz OYEPYHZTEQRAQJ-UHFFFAOYSA-N -1 3 371.355 3.482 20 0 FGADHM O=C(c1cccc([O-])c1)N1CCC[C@H]1c1nc(Cc2ccc(F)cc2)no1 ZINC000360642632 498292958 /nfs/dbraw/zinc/29/29/58/498292958.db2.gz PXTFBGXPOICZAL-KRWDZBQOSA-N -1 3 367.380 3.482 20 0 FGADHM COC(=O)CCCO[N-]C(=O)Nc1cccc(Cn2ccnc2C(C)C)c1 ZINC000289806058 498301120 /nfs/dbraw/zinc/30/11/20/498301120.db2.gz TUDSVDYHJKTJRG-UHFFFAOYSA-N -1 3 374.441 3.061 20 0 FGADHM CN(C)c1nc(-c2nc(-c3cc(F)ccc3C(F)(F)F)no2)cc(=O)[n-]1 ZINC000575835264 506013370 /nfs/dbraw/zinc/01/33/70/506013370.db2.gz YICISHPUXIIFGR-UHFFFAOYSA-N -1 3 369.278 3.123 20 0 FGADHM COc1ccc([C@@H](O)C2CCN(C(=O)c3ccc([O-])c(C)c3)CC2)cc1 ZINC000293223178 498310324 /nfs/dbraw/zinc/31/03/24/498310324.db2.gz QARDMGGJYSYADH-HXUWFJFHSA-N -1 3 355.434 3.295 20 0 FGADHM CCCCNC(=O)C1CCN(C(=O)c2c[n-]c3ccc(C)cc3c2=O)CC1 ZINC000286174888 498314429 /nfs/dbraw/zinc/31/44/29/498314429.db2.gz UYZVIBDALNEKQL-UHFFFAOYSA-N -1 3 369.465 3.017 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H](C)C[C@@H](O)c3ccco3)nc2)n1 ZINC000301913156 498323927 /nfs/dbraw/zinc/32/39/27/498323927.db2.gz UFXANGZYDTWSES-IUODEOHRSA-N -1 3 354.410 3.324 20 0 FGADHM [O-]C(=NOCC1CC1)Nc1ccc(-c2ccc(Br)s2)nn1 ZINC000297154770 498335239 /nfs/dbraw/zinc/33/52/39/498335239.db2.gz PUNBWLFGYUXIQC-UHFFFAOYSA-N -1 3 369.244 3.431 20 0 FGADHM O=C([N-]OCC1CC1)Nc1ccc(-c2ccc(Br)s2)nn1 ZINC000297154770 498335245 /nfs/dbraw/zinc/33/52/45/498335245.db2.gz PUNBWLFGYUXIQC-UHFFFAOYSA-N -1 3 369.244 3.431 20 0 FGADHM O=C([N-]c1nc(C2CCOCC2)cs1)c1cc(-c2cccnc2)on1 ZINC000286244296 498337144 /nfs/dbraw/zinc/33/71/44/498337144.db2.gz DLYCFLBZAJLOBO-UHFFFAOYSA-N -1 3 356.407 3.339 20 0 FGADHM O=C([N-]CC1CCN(Cc2cc(-c3ccccc3)on2)CC1)C(F)(F)F ZINC000286270972 498346160 /nfs/dbraw/zinc/34/61/60/498346160.db2.gz UBVJRXXEJBJQJS-UHFFFAOYSA-N -1 3 367.371 3.232 20 0 FGADHM CC(C)(CO)[C@H](NCc1cc(=O)oc2cc([O-])ccc12)c1cccs1 ZINC000289914235 498349588 /nfs/dbraw/zinc/34/95/88/498349588.db2.gz UIWUWTVBAVWQAB-GOSISDBHSA-N -1 3 359.447 3.410 20 0 FGADHM COC1(CNc2nc3nncc-3c(O)[n-]2)CCC(c2ccccc2)CC1 ZINC000286289799 498352521 /nfs/dbraw/zinc/35/25/21/498352521.db2.gz FMLUXUXGVIYZBP-UHFFFAOYSA-N -1 3 353.426 3.213 20 0 FGADHM CC(=O)N(c1ccc(NC([O-])=NOCc2cccnc2)cc1)[C@@H]1C[C@H]1C ZINC000297231145 498368271 /nfs/dbraw/zinc/36/82/71/498368271.db2.gz WNXRJCREUJUDHL-FZKQIMNGSA-N -1 3 354.410 3.096 20 0 FGADHM CC(=O)N(c1ccc(NC(=O)[N-]OCc2cccnc2)cc1)[C@@H]1C[C@H]1C ZINC000297231145 498368279 /nfs/dbraw/zinc/36/82/79/498368279.db2.gz WNXRJCREUJUDHL-FZKQIMNGSA-N -1 3 354.410 3.096 20 0 FGADHM C[C@@H]1[C@@H](NC(=O)N=c2nc(C(C)(C)C)[n-]s2)CCN1Cc1ccccc1 ZINC000575876130 506024272 /nfs/dbraw/zinc/02/42/72/506024272.db2.gz HTVBSUKCALDCIQ-HIFRSBDPSA-N -1 3 373.526 3.042 20 0 FGADHM Cc1c(S(=O)(=O)[N-][C@](C)(C2CC2)C(F)(F)F)c2ccccc2n1C ZINC000581622164 506030038 /nfs/dbraw/zinc/03/00/38/506030038.db2.gz VTTWJQVUUZKMQN-OAHLLOKOSA-N -1 3 360.401 3.496 20 0 FGADHM COc1cc(CN2CC[C@@H](C)[C@H](C(=O)[O-])C2)ccc1OCc1ccncc1 ZINC000569846180 506030131 /nfs/dbraw/zinc/03/01/31/506030131.db2.gz RPYJWVLJPLMVAT-CRAIPNDOSA-N -1 3 370.449 3.212 20 0 FGADHM Cc1c(-c2ccncc2)[n-][nH]c1=NC(=O)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000365370857 498429694 /nfs/dbraw/zinc/42/96/94/498429694.db2.gz DOGBRPWAXVQUOG-STQMWFEESA-N -1 3 354.360 3.222 20 0 FGADHM Cc1nc(CN2CCC(CNCc3c(F)ccc([O-])c3F)CC2)oc1C ZINC000293691423 498455513 /nfs/dbraw/zinc/45/55/13/498455513.db2.gz SHZSAAXBBHGEBR-UHFFFAOYSA-N -1 3 365.424 3.277 20 0 FGADHM CCCCOc1ccc(C(=O)N2CCC[C@H](c3nccn3C)C2)c([O-])c1 ZINC000365465799 498481480 /nfs/dbraw/zinc/48/14/80/498481480.db2.gz WUEPAURCESFCGZ-HNNXBMFYSA-N -1 3 357.454 3.324 20 0 FGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CC(C)(C)[C@@H]1C(C)C ZINC000293784457 498488173 /nfs/dbraw/zinc/48/81/73/498488173.db2.gz FFFMCJFVMVGNON-SFHVURJKSA-N -1 3 368.481 3.378 20 0 FGADHM Cc1ccc(C[C@H](C)C(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)cc1 ZINC000290307674 498503875 /nfs/dbraw/zinc/50/38/75/498503875.db2.gz GWIFANFYTLVXKP-HOCLYGCPSA-N -1 3 370.415 3.091 20 0 FGADHM CC1(CC(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)CCCCC1 ZINC000331939757 498507509 /nfs/dbraw/zinc/50/75/09/498507509.db2.gz GJFDBPHPFOATAJ-UHFFFAOYSA-N -1 3 358.482 3.474 20 0 FGADHM O=C([N-]C[C@H]1CCCN(C(=O)c2ccc3sccc3c2)C1)C(F)(F)F ZINC000290332649 498511501 /nfs/dbraw/zinc/51/15/01/498511501.db2.gz JOKDJLHIGVESKT-LLVKDONJSA-N -1 3 370.396 3.432 20 0 FGADHM CCN(CCN1CCCCCC1)C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000332011201 498532066 /nfs/dbraw/zinc/53/20/66/498532066.db2.gz PQJQYAULOCXUPW-UHFFFAOYSA-N -1 3 354.878 3.392 20 0 FGADHM Cc1nnc([C@H]([N-]C(=O)C(F)(F)c2ccccc2F)c2ccccc2)[nH]1 ZINC000362670470 498535586 /nfs/dbraw/zinc/53/55/86/498535586.db2.gz UAUKWLQCUQFGKI-OAHLLOKOSA-N -1 3 360.339 3.250 20 0 FGADHM Cc1nc([C@H]([N-]C(=O)C(F)(F)c2ccccc2F)c2ccccc2)n[nH]1 ZINC000362670470 498535591 /nfs/dbraw/zinc/53/55/91/498535591.db2.gz UAUKWLQCUQFGKI-OAHLLOKOSA-N -1 3 360.339 3.250 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]CC2([C@@H](C)CCO)CCC2)sc1Cl ZINC000332028537 498537618 /nfs/dbraw/zinc/53/76/18/498537618.db2.gz NOVHCXXOLKMFQZ-NSHDSACASA-N -1 3 351.921 3.177 20 0 FGADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2ccnc(Cl)c2Cl)CC1 ZINC000290401195 498538168 /nfs/dbraw/zinc/53/81/68/498538168.db2.gz KKERIONBVLVDCZ-UHFFFAOYSA-N -1 3 366.248 3.052 20 0 FGADHM CC[C@H](Cc1ccccc1Br)[N-]S(=O)(=O)c1ccccn1 ZINC000572785496 506051502 /nfs/dbraw/zinc/05/15/02/506051502.db2.gz PBFVAETXMCHFHC-CYBMUJFWSA-N -1 3 369.284 3.144 20 0 FGADHM O=C([N-]O[C@H]1CCCCO1)C1CCN(Cc2ccc(Cl)s2)CC1 ZINC000365591177 498547419 /nfs/dbraw/zinc/54/74/19/498547419.db2.gz XSNBESIENXYKPI-HNNXBMFYSA-N -1 3 358.891 3.188 20 0 FGADHM CC(C)CO[C@@H](C)c1noc(CN(C)C(=O)c2cc([O-])ccc2Cl)n1 ZINC000290434311 498551874 /nfs/dbraw/zinc/55/18/74/498551874.db2.gz WHPLATWTLWHIDS-NSHDSACASA-N -1 3 367.833 3.434 20 0 FGADHM C[C@H](CCC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1)c1ccccc1 ZINC000290474977 498566541 /nfs/dbraw/zinc/56/65/41/498566541.db2.gz WJOOAAUQIIZWHG-HUUCEWRRSA-N -1 3 370.415 3.487 20 0 FGADHM COC(=O)c1cccc([N-]C(=O)c2csc([C@H]3CCCO3)n2)c1F ZINC000297800037 498571298 /nfs/dbraw/zinc/57/12/98/498571298.db2.gz SCZGHHNFQHHAGD-GFCCVEGCSA-N -1 3 350.371 3.173 20 0 FGADHM O=C(N[C@H]1COc2ccc(F)cc2C1)c1cc([O-])ccc1C(F)(F)F ZINC000365659652 498583627 /nfs/dbraw/zinc/58/36/27/498583627.db2.gz NHUSLXQNOAMVFK-LLVKDONJSA-N -1 3 355.287 3.284 20 0 FGADHM Cc1c(NCc2c(F)ccc([O-])c2F)cccc1C(=O)N1CCOCC1 ZINC000294132988 498598284 /nfs/dbraw/zinc/59/82/84/498598284.db2.gz GYHMKQCCXMUJGO-UHFFFAOYSA-N -1 3 362.376 3.063 20 0 FGADHM C[C@@H]1CCc2onc(C(=O)N=c3cc(-c4cc(F)cc(F)c4)[n-][nH]3)c2C1 ZINC000581763745 506062938 /nfs/dbraw/zinc/06/29/38/506062938.db2.gz BITPFMPUFZOPIW-SECBINFHSA-N -1 3 358.348 3.142 20 0 FGADHM C[C@@H](Oc1cccc2ccccc21)C(=O)N=c1[nH][n-]cc1Br ZINC000578972786 506064982 /nfs/dbraw/zinc/06/49/82/506064982.db2.gz FRHJRWNPSUEJMV-SNVBAGLBSA-N -1 3 360.211 3.153 20 0 FGADHM Cc1c(-c2ccncc2)[n-][nH]c1=NC(=O)[C@H]1C[C@H]1c1ccc(F)cc1F ZINC000363064281 498631132 /nfs/dbraw/zinc/63/11/32/498631132.db2.gz XAWBDXMWNPXDAE-GJZGRUSLSA-N -1 3 354.360 3.222 20 0 FGADHM Cc1nc([C@H]2CCCN(S(=O)(=O)c3ccc([O-])cc3)C2)sc1C ZINC000332287343 498634533 /nfs/dbraw/zinc/63/45/33/498634533.db2.gz IUOZRKNZJUZVIV-ZDUSSCGKSA-N -1 3 352.481 3.034 20 0 FGADHM CCOc1cc(C(=O)N2CC[C@]3(C2)CCCN(C)C3)cc(Cl)c1[O-] ZINC000294316333 498654532 /nfs/dbraw/zinc/65/45/32/498654532.db2.gz WRFPNLHMWCEOEO-GOSISDBHSA-N -1 3 352.862 3.002 20 0 FGADHM CN(CC[C@H](C(=O)[O-])c1ccccc1)[C@H]1CCN(c2ccccc2F)C1=O ZINC000578995571 506070132 /nfs/dbraw/zinc/07/01/32/506070132.db2.gz OPNCMOCCPYENNR-LPHOPBHVSA-N -1 3 370.424 3.121 20 0 FGADHM O=C(CCCC1CCOCC1)NCc1ccc([O-])c(Br)c1 ZINC000282815802 498665376 /nfs/dbraw/zinc/66/53/76/498665376.db2.gz RIPCVQYULYNGDE-UHFFFAOYSA-N -1 3 356.260 3.368 20 0 FGADHM CCc1ccc(C(=O)N(C)CCc2nc(-c3ccccc3)no2)c([O-])c1 ZINC000287228040 498679724 /nfs/dbraw/zinc/67/97/24/498679724.db2.gz JBKNZBZCLBWGIG-UHFFFAOYSA-N -1 3 351.406 3.319 20 0 FGADHM COCC(C)(C)C[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000311533538 498752136 /nfs/dbraw/zinc/75/21/36/498752136.db2.gz FYBHUTVLFIKCTD-UHFFFAOYSA-N -1 3 370.696 3.053 20 0 FGADHM Cc1ccc(CN(C)C)cc1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)CCC2 ZINC000581856649 506074722 /nfs/dbraw/zinc/07/47/22/506074722.db2.gz HMZOMTIOPDWNNU-UHFFFAOYSA-N -1 3 372.490 3.376 20 0 FGADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCC2(CC1)OCCCO2 ZINC000294436839 498693690 /nfs/dbraw/zinc/69/36/90/498693690.db2.gz ZYFHKUPRDDPCEU-UHFFFAOYSA-N -1 3 367.445 3.352 20 0 FGADHM C[C@@H]1CC[C@@H](C(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)C[C@H]1C ZINC000332507036 498706690 /nfs/dbraw/zinc/70/66/90/498706690.db2.gz BWAUHGHCVJAOGV-BZUAXINKSA-N -1 3 358.482 3.185 20 0 FGADHM Cc1nc(-c2ccc(NC(=O)N3C[C@@H](C(N)=O)CC[C@H]3C)cc2)cc(=O)[n-]1 ZINC000332523427 498711418 /nfs/dbraw/zinc/71/14/18/498711418.db2.gz CYQLJFFNJMVDDV-RISCZKNCSA-N -1 3 369.425 3.325 20 0 FGADHM C[C@H](CNC(=O)c1cc(OCc2ccccc2)ccc1[O-])Cn1cccn1 ZINC000303775517 498713971 /nfs/dbraw/zinc/71/39/71/498713971.db2.gz HSYCZRJNASJRKZ-MRXNPFEDSA-N -1 3 365.433 3.234 20 0 FGADHM O=C(NC1CCCCC1)C1CCN(Cc2c(F)ccc([O-])c2F)CC1 ZINC000332548628 498722137 /nfs/dbraw/zinc/72/21/37/498722137.db2.gz ONRLJNQTDFXBGL-UHFFFAOYSA-N -1 3 352.425 3.331 20 0 FGADHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)CSC[C@H]3CCCCO3)c2)n1 ZINC000363247626 498726028 /nfs/dbraw/zinc/72/60/28/498726028.db2.gz RLEYFXRNZQLVMB-MRXNPFEDSA-N -1 3 373.478 3.398 20 0 FGADHM CCOC(=O)N[C@@H]1CCCN(C(=O)CCc2ccc3ccccc3c2[O-])C1 ZINC000294554809 498729494 /nfs/dbraw/zinc/72/94/94/498729494.db2.gz RFRHAOQIUVSCEQ-QGZVFWFLSA-N -1 3 370.449 3.215 20 0 FGADHM COCCc1ccc(S(=O)(=O)[N-]c2cc(OC)c(OC)cc2C)cc1 ZINC000298312112 498730283 /nfs/dbraw/zinc/73/02/83/498730283.db2.gz JLURCXYYTLYGSO-UHFFFAOYSA-N -1 3 365.451 3.002 20 0 FGADHM COC(=O)c1c(C)csc1[N-]C(=O)C(=O)N(C)[C@H](C)c1ccc(C)cc1 ZINC000287445183 498758823 /nfs/dbraw/zinc/75/88/23/498758823.db2.gz MCTZNWGIMCQCIK-CYBMUJFWSA-N -1 3 374.462 3.310 20 0 FGADHM c1nc(CCc2nc(-c3ccc4n[n-]nc4c3)no2)oc1-c1ccccc1 ZINC000572933689 506086339 /nfs/dbraw/zinc/08/63/39/506086339.db2.gz FLUDCUQWAJFIKK-UHFFFAOYSA-N -1 3 358.361 3.448 20 0 FGADHM COc1ccc(C(=O)N2CCC(c3nc4c(cccc4F)[nH]3)CC2)c([O-])c1 ZINC000363345672 498772366 /nfs/dbraw/zinc/77/23/66/498772366.db2.gz OMSXLKHAXIMSIZ-UHFFFAOYSA-N -1 3 369.396 3.436 20 0 FGADHM Cc1c(-c2ccncc2)[n-][nH]c1=NC(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000363367048 498781561 /nfs/dbraw/zinc/78/15/61/498781561.db2.gz BFGHVUPSAUFGRY-KBPBESRZSA-N -1 3 354.360 3.222 20 0 FGADHM Cc1c(-c2ccncc2)[n-][nH]c1=NC(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000363367051 498782099 /nfs/dbraw/zinc/78/20/99/498782099.db2.gz BFGHVUPSAUFGRY-UONOGXRCSA-N -1 3 354.360 3.222 20 0 FGADHM CC(C)C[C@H](CO)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000316563894 498789153 /nfs/dbraw/zinc/78/91/53/498789153.db2.gz BLOUVXXROYXUIF-SNVBAGLBSA-N -1 3 359.797 3.044 20 0 FGADHM CC(F)(F)c1ccc(C(=O)N2CCN(C(=O)c3cccc([O-])c3)CC2)cc1 ZINC000294805094 498811513 /nfs/dbraw/zinc/81/15/13/498811513.db2.gz BMTMUGLWNJPVHO-UHFFFAOYSA-N -1 3 374.387 3.102 20 0 FGADHM COC(=O)Cc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2Cl)cc1 ZINC000323271326 498819828 /nfs/dbraw/zinc/81/98/28/498819828.db2.gz FWAVFYWKXKDAHC-UHFFFAOYSA-N -1 3 353.827 3.165 20 0 FGADHM CO[C@@]1(C)C[C@@H](NC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)C1(C)C ZINC000332926849 498836455 /nfs/dbraw/zinc/83/64/55/498836455.db2.gz SQUPJNBLEWGTPT-UZLBHIALSA-N -1 3 370.453 3.483 20 0 FGADHM O=C(c1csc(=O)[n-]1)N1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000366257203 498844385 /nfs/dbraw/zinc/84/43/85/498844385.db2.gz NBTITMSFCRTMIQ-SECBINFHSA-N -1 3 359.234 3.449 20 0 FGADHM COc1cc(C(=O)N2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)ccc1[O-] ZINC000287795213 498865444 /nfs/dbraw/zinc/86/54/44/498865444.db2.gz JBCGFRNCNUNEAH-SQNIBIBYSA-N -1 3 353.418 3.046 20 0 FGADHM Cc1nc([N-]C(=O)c2nc(Br)cs2)nc2c1CCCC2 ZINC000291269363 498870883 /nfs/dbraw/zinc/87/08/83/498870883.db2.gz XSZZKZXPYOSFEP-UHFFFAOYSA-N -1 3 353.245 3.135 20 0 FGADHM O=C(Nc1ccc(OC[C@@H]2CCCO2)cc1)c1c[n-]nc1-c1ccncc1 ZINC000298782717 498878197 /nfs/dbraw/zinc/87/81/97/498878197.db2.gz IOLQTTIPDGRGGY-KRWDZBQOSA-N -1 3 364.405 3.282 20 0 FGADHM O=C(Nc1ccc(OC[C@@H]2CCCO2)cc1)c1cn[n-]c1-c1ccncc1 ZINC000298782717 498878207 /nfs/dbraw/zinc/87/82/07/498878207.db2.gz IOLQTTIPDGRGGY-KRWDZBQOSA-N -1 3 364.405 3.282 20 0 FGADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000333042675 498879122 /nfs/dbraw/zinc/87/91/22/498879122.db2.gz JTRYNAFADZCBAU-CTNGQTDRSA-N -1 3 367.445 3.003 20 0 FGADHM COC(=O)c1sc2[n-]c(CN(C)Cc3cccc(C)c3)nc(=O)c2c1C ZINC000298838319 498892348 /nfs/dbraw/zinc/89/23/48/498892348.db2.gz FPCLHPGKZKCENS-UHFFFAOYSA-N -1 3 371.462 3.432 20 0 FGADHM O=C(COc1cc(Cl)cc(Cl)c1)[N-]c1ncnn1-c1ccccc1 ZINC000579166613 506107891 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20 0 FGADHM COc1ccc(F)cc1CNC[C@H](Cc1cc(F)c(F)c(F)c1)C(=O)[O-] ZINC000417629250 500130254 /nfs/dbraw/zinc/13/02/54/500130254.db2.gz BEVCIGHFMSROBG-LBPRGKRZSA-N -1 3 371.330 3.285 20 0 FGADHM C[C@]1(C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)CC1(F)F ZINC000421785844 500150396 /nfs/dbraw/zinc/15/03/96/500150396.db2.gz LSYMYDLBGACFOJ-MRXNPFEDSA-N -1 3 372.799 3.268 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Br)c1ccon1 ZINC000429849739 500155755 /nfs/dbraw/zinc/15/57/55/500155755.db2.gz VBVYCSBVWWIXGS-ZETCQYMHSA-N -1 3 365.636 3.130 20 0 FGADHM O=S(=O)([N-]C[C@@H]1CCC(F)(F)C1)c1ccccc1Br ZINC000429915269 500166716 /nfs/dbraw/zinc/16/67/16/500166716.db2.gz ZTMLLTDHRVZYHD-SECBINFHSA-N -1 3 354.216 3.163 20 0 FGADHM CC[C@@H](C)CNC(=O)c1sccc1S(=O)(=O)[N-]Cc1cccs1 ZINC000421920450 500176208 /nfs/dbraw/zinc/17/62/08/500176208.db2.gz RLPHSAALTBRSOS-LLVKDONJSA-N -1 3 372.537 3.064 20 0 FGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)[C@@H]1CCc2ccccc21 ZINC000430138817 500198696 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500267021 /nfs/dbraw/zinc/26/70/21/500267021.db2.gz AVXMFEJKPBKOJV-VIFPVBQESA-N -1 3 366.767 3.482 20 0 FGADHM COC[C@H](C)CNC(=O)c1c[n-]c2ccc(Oc3ccccc3)cc2c1=O ZINC000430659953 500267049 /nfs/dbraw/zinc/26/70/49/500267049.db2.gz BUPBBHWIBJGQCT-CQSZACIVSA-N -1 3 366.417 3.333 20 0 FGADHM CC(C)c1ccccc1N(C)C(=O)c1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000426383802 500267435 /nfs/dbraw/zinc/26/74/35/500267435.db2.gz WOGAPSURQJQXJX-NRFANRHFSA-N -1 3 365.433 3.141 20 0 FGADHM COCCCOc1cc(C)ccc1-c1noc(-c2ccc(C(=O)OC)[n-]2)n1 ZINC000426451355 500273600 /nfs/dbraw/zinc/27/36/00/500273600.db2.gz QWOLDTVVZIUXAI-UHFFFAOYSA-N -1 3 371.393 3.242 20 0 FGADHM CCn1nc(CNC[C@H](Cc2cccc(C)c2)C(=O)[O-])c2ccccc21 ZINC000426630624 500297431 /nfs/dbraw/zinc/29/74/31/500297431.db2.gz KEPSMKWTYHLTGN-KRWDZBQOSA-N -1 3 351.450 3.398 20 0 FGADHM O=C([O-])[C@H](Cc1ccc(F)cc1)NCc1ccccc1Br ZINC000426716256 500310198 /nfs/dbraw/zinc/31/01/98/500310198.db2.gz LHUZIXXOJCRMCR-HNNXBMFYSA-N -1 3 352.203 3.374 20 0 FGADHM COc1ccc([C@@H](CCC(=O)[O-])NCc2ccc3c(c2)OCCO3)cc1 ZINC000426722893 500310923 /nfs/dbraw/zinc/31/09/23/500310923.db2.gz JHYYXFHFIIWMGG-QGZVFWFLSA-N -1 3 357.406 3.162 20 0 FGADHM Cc1cnn(C[C@@H](NCc2cc(C(F)(F)F)ccc2Cl)C(=O)[O-])c1 ZINC000426724794 500311451 /nfs/dbraw/zinc/31/14/51/500311451.db2.gz VTFATBWBWAREIM-CYBMUJFWSA-N -1 3 361.751 3.107 20 0 FGADHM CC(C)(C)CC[C@@H](NCc1cn(-c2ccc(F)cc2Cl)nn1)C(=O)[O-] ZINC000426747230 500314698 /nfs/dbraw/zinc/31/46/98/500314698.db2.gz NUYGXAVPRQLOIR-CQSZACIVSA-N -1 3 368.840 3.429 20 0 FGADHM COc1ccc(CN[C@H](Cc2c(F)cccc2Cl)C(=O)[O-])c(OC)c1 ZINC000426761502 500317216 /nfs/dbraw/zinc/31/72/16/500317216.db2.gz BCPYEACUSWARFP-MRXNPFEDSA-N -1 3 367.804 3.282 20 0 FGADHM CC(=O)Nc1cc([N-]S(=O)(=O)Cc2cc(C(C)(C)C)on2)ccc1F ZINC000430982709 500317718 /nfs/dbraw/zinc/31/77/18/500317718.db2.gz UNOHNMFZPYSIBL-UHFFFAOYSA-N -1 3 369.418 3.012 20 0 FGADHM CC(C)(C)OC(=O)C[C@@H](NCc1cnc(-c2ccsc2)s1)C(=O)[O-] ZINC000426825910 500325859 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CCSc1nnc(NC(=O)Cc2ccc(Br)cc2[O-])s1 ZINC000431382007 500370242 /nfs/dbraw/zinc/37/02/42/500370242.db2.gz ADJLXISUJANKBW-UHFFFAOYSA-N -1 3 374.285 3.299 20 0 FGADHM C[C@H](NC(=O)NCc1nnc(C(F)(F)F)[n-]1)c1ccc(C2CC2)cc1 ZINC000419484328 500370377 /nfs/dbraw/zinc/37/03/77/500370377.db2.gz SZHYJLGMHUGCHW-VIFPVBQESA-N -1 3 353.348 3.261 20 0 FGADHM C[C@H](NC(=O)NCc1n[n-]c(C(F)(F)F)n1)c1ccc(C2CC2)cc1 ZINC000419484328 500370379 /nfs/dbraw/zinc/37/03/79/500370379.db2.gz SZHYJLGMHUGCHW-VIFPVBQESA-N -1 3 353.348 3.261 20 0 FGADHM C[C@H](NC(=O)NCc1nc(C(F)(F)F)n[n-]1)c1ccc(C2CC2)cc1 ZINC000419484328 500370382 /nfs/dbraw/zinc/37/03/82/500370382.db2.gz SZHYJLGMHUGCHW-VIFPVBQESA-N -1 3 353.348 3.261 20 0 FGADHM COc1ccccc1CNC(=O)[C@@H](C)SCc1cc(=O)[n-]c(C2CC2)n1 ZINC000419606361 500383779 /nfs/dbraw/zinc/38/37/79/500383779.db2.gz RULIQWTYPZFZDB-GFCCVEGCSA-N -1 3 373.478 3.006 20 0 FGADHM C[N-]S(=O)(=O)c1cc(NCc2ccc(OC(C)C)cc2)ccc1F ZINC000419784252 500397936 /nfs/dbraw/zinc/39/79/36/500397936.db2.gz 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CC[C@H](C)[C@H]([N-]S(=O)(=O)c1ccc2c(c1)CCCO2)C(F)(F)F ZINC000443948449 500782072 /nfs/dbraw/zinc/78/20/72/500782072.db2.gz VGBOZAHEDJMDBK-HZMBPMFUSA-N -1 3 351.390 3.267 20 0 FGADHM CCCN(CC(=O)Nc1ccccc1C)C(=O)Cc1ccc([O-])c(F)c1 ZINC000448643440 500793257 /nfs/dbraw/zinc/79/32/57/500793257.db2.gz DIKKUJDKTOPYMK-UHFFFAOYSA-N -1 3 358.413 3.260 20 0 FGADHM CC1(C)CN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])CC[C@@H]1O ZINC000438509667 500795004 /nfs/dbraw/zinc/79/50/04/500795004.db2.gz AFSSWMQTQDVIOM-FQEVSTJZSA-N -1 3 353.462 3.410 20 0 FGADHM C[C@@H](c1ccccc1Cl)N(C(=O)c1cc(=O)[n-]c(N(C)C)n1)C1CC1 ZINC000434131497 500800281 /nfs/dbraw/zinc/80/02/81/500800281.db2.gz IVGUMJMADOIIEP-NSHDSACASA-N -1 3 360.845 3.267 20 0 FGADHM O=C(Cc1ccc([O-])c(F)c1)NCc1cccc(NC(=O)C2CCC2)c1 ZINC000448680908 500802265 /nfs/dbraw/zinc/80/22/65/500802265.db2.gz MYNWXPUSZRDJDT-UHFFFAOYSA-N -1 3 356.397 3.129 20 0 FGADHM Cc1ccc(OCCCN2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1C ZINC000438703251 500814353 /nfs/dbraw/zinc/81/43/53/500814353.db2.gz NCSHNECYELFOOX-UHFFFAOYSA-N -1 3 368.477 3.236 20 0 FGADHM O=S(=O)([N-]CCC[C@@H]1CCCCO1)c1ccc(C(F)(F)F)cc1F ZINC000444190956 500815924 /nfs/dbraw/zinc/81/59/24/500815924.db2.gz YYHXSOTWWNPYAI-LBPRGKRZSA-N -1 3 369.380 3.472 20 0 FGADHM COC(=O)c1cccc(-c2noc(-c3cc(-c4ccc(C)o4)[n-]n3)n2)c1 ZINC000438822452 500822966 /nfs/dbraw/zinc/82/29/66/500822966.db2.gz YPSJKKRRAQOOLV-UHFFFAOYSA-N -1 3 350.334 3.482 20 0 FGADHM COC(=O)c1cccc(-c2noc(-c3cc(-c4ccc(C)o4)n[n-]3)n2)c1 ZINC000438822452 500822968 /nfs/dbraw/zinc/82/29/68/500822968.db2.gz YPSJKKRRAQOOLV-UHFFFAOYSA-N -1 3 350.334 3.482 20 0 FGADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)c1ccc(Br)s1 ZINC000444274357 500827878 /nfs/dbraw/zinc/82/78/78/500827878.db2.gz ASXQNHCPUIZEFH-LURJTMIESA-N -1 3 365.274 3.155 20 0 FGADHM C[C@@H]1CCN(C(=O)c2c[n-]c3c(OC(F)(F)F)cccc3c2=O)[C@@H]1C ZINC000444284893 500828725 /nfs/dbraw/zinc/82/87/25/500828725.db2.gz VHTKDELFAOSNBT-NXEZZACHSA-N -1 3 354.328 3.297 20 0 FGADHM CCOc1cc(C(=O)[N-]c2nc(CN3CCCCCC3)cs2)on1 ZINC000448770723 500829110 /nfs/dbraw/zinc/82/91/10/500829110.db2.gz MRQFFFFCAZZHBR-UHFFFAOYSA-N -1 3 350.444 3.158 20 0 FGADHM Cc1csc(CCC(=O)NCc2ccc([O-])c(Br)c2)n1 ZINC000444341956 500837232 /nfs/dbraw/zinc/83/72/32/500837232.db2.gz UBFCFVPZDDSRRA-UHFFFAOYSA-N -1 3 355.257 3.169 20 0 FGADHM C[C@H]1CN(C(=O)c2c[n-]c3ccc(Br)cc3c2=O)CC[C@@H]1C ZINC000444352299 500837985 /nfs/dbraw/zinc/83/79/85/500837985.db2.gz NSYVAAFYAHQAJH-QWRGUYRKSA-N -1 3 363.255 3.409 20 0 FGADHM O=C(N=c1cc(-c2ccccc2)[n-][nH]1)c1cc(N2CCCC2=O)ccc1F ZINC000439019408 500848224 /nfs/dbraw/zinc/84/82/24/500848224.db2.gz LJLTXDMLQPINHS-UHFFFAOYSA-N -1 3 364.380 3.017 20 0 FGADHM C[C@H](CNC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])Cc1cccs1 ZINC000439062852 500852132 /nfs/dbraw/zinc/85/21/32/500852132.db2.gz YTLBLJMJPYYSEM-WMLDXEAASA-N -1 3 372.490 3.053 20 0 FGADHM O=C(c1ccc2c(c1)C(=O)[N-]C2=O)N1C[C@H](c2ccccc2)c2ccccc21 ZINC000444511018 500855017 /nfs/dbraw/zinc/85/50/17/500855017.db2.gz IIMVLQOYNHYPPD-LJQANCHMSA-N -1 3 368.392 3.363 20 0 FGADHM C[C@H](CNc1ccccc1)NC(=O)Cc1ccc(Br)cc1[O-] ZINC000444744647 500891706 /nfs/dbraw/zinc/89/17/06/500891706.db2.gz QGEOYLDHTAHSAC-GFCCVEGCSA-N -1 3 363.255 3.314 20 0 FGADHM CCOC(=O)c1nc(C2CCN(Cc3c(F)cccc3Cl)CC2)n[n-]1 ZINC000444805820 500904199 /nfs/dbraw/zinc/90/41/99/500904199.db2.gz VSXYVUJULAAIJT-UHFFFAOYSA-N -1 3 366.824 3.154 20 0 FGADHM CCOC(=O)c1nnc(C2CCN(Cc3c(F)cccc3Cl)CC2)[n-]1 ZINC000444805820 500904200 /nfs/dbraw/zinc/90/42/00/500904200.db2.gz VSXYVUJULAAIJT-UHFFFAOYSA-N -1 3 366.824 3.154 20 0 FGADHM O=C(N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1)c1ccoc1Br ZINC000444996564 500930884 /nfs/dbraw/zinc/93/08/84/500930884.db2.gz BHJQUPKMPCRFBU-UHFFFAOYSA-N -1 3 368.137 3.385 20 0 FGADHM O=C(Nc1ccccc1-c1cn[nH]c1)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000439758053 500934926 /nfs/dbraw/zinc/93/49/26/500934926.db2.gz QGWMCMSTVSGVCV-UHFFFAOYSA-N -1 3 366.327 3.449 20 0 FGADHM O=C(Nc1ccccc1-c1cn[nH]c1)c1cnc2c(F)cc(F)cc2c1[O-] ZINC000439758053 500934928 /nfs/dbraw/zinc/93/49/28/500934928.db2.gz QGWMCMSTVSGVCV-UHFFFAOYSA-N -1 3 366.327 3.449 20 0 FGADHM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2ccc(C(C)C)cc2)cc1F ZINC000445060294 500939217 /nfs/dbraw/zinc/93/92/17/500939217.db2.gz PHDVVUHDXIIPFS-UHFFFAOYSA-N -1 3 365.426 3.214 20 0 FGADHM COC[C@H]1CN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C[C@H](C)O1 ZINC000439927954 500956425 /nfs/dbraw/zinc/95/64/25/500956425.db2.gz BGMUHFYTQSYEFB-WMLDXEAASA-N -1 3 357.406 3.060 20 0 FGADHM CCOc1cccc([C@@H]2C[C@H]2[N-]S(=O)(=O)c2ccc(OC)cc2F)c1 ZINC000435433864 500975644 /nfs/dbraw/zinc/97/56/44/500975644.db2.gz PMGIOPIJXIWIGV-DOTOQJQBSA-N -1 3 365.426 3.067 20 0 FGADHM CCCN(CC)CC[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000435434804 500976083 /nfs/dbraw/zinc/97/60/83/500976083.db2.gz ZQLDUZYWQQJSLO-UHFFFAOYSA-N -1 3 357.278 3.143 20 0 FGADHM O=S(=O)([N-]CCCN1CCCCC1)c1c(Cl)cc(F)cc1Cl ZINC000435436145 500976383 /nfs/dbraw/zinc/97/63/83/500976383.db2.gz DLPDCSZVZBTVPG-UHFFFAOYSA-N -1 3 369.289 3.287 20 0 FGADHM Cc1ccc(C(=O)NCCc2nc(-c3ccc(Cl)s3)no2)c([O-])c1 ZINC000445557416 501001582 /nfs/dbraw/zinc/00/15/82/501001582.db2.gz KJAWKGBSECZDPX-UHFFFAOYSA-N -1 3 363.826 3.438 20 0 FGADHM COc1cccc(C[C@@H](C)[N-]S(=O)(=O)c2cc(C)c(F)cc2F)c1 ZINC000440390639 501003394 /nfs/dbraw/zinc/00/33/94/501003394.db2.gz ZAJGNPNAYAFGAV-GFCCVEGCSA-N -1 3 355.406 3.191 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]C[C@@H](c2cccnc2)C(C)C)c(F)cc1F ZINC000440409425 501006268 /nfs/dbraw/zinc/00/62/68/501006268.db2.gz AJHQXNQIFKMOTK-CQSZACIVSA-N -1 3 354.422 3.386 20 0 FGADHM CCCS(=O)(=O)Nc1ccc(NCc2cc([O-])cc(F)c2)c(F)c1 ZINC000449541041 501029109 /nfs/dbraw/zinc/02/91/09/501029109.db2.gz YOOKUZPKFCLUQB-UHFFFAOYSA-N -1 3 356.394 3.434 20 0 FGADHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1CCCCC[C@@H]1CC ZINC000440897300 501061075 /nfs/dbraw/zinc/06/10/75/501061075.db2.gz APTMNIKMAUCSAH-ZDUSSCGKSA-N -1 3 366.483 3.353 20 0 FGADHM CN1CCC[C@H](CN=c2[n-]ncs2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000450341591 501095261 /nfs/dbraw/zinc/09/52/61/501095261.db2.gz LFIPEQKQXXTPRR-OCCSQVGLSA-N -1 3 356.417 3.474 20 0 FGADHM COCCN(CCCOc1ccc(F)cc1)C(=O)c1ccc(C)cc1[O-] ZINC000436487444 501137247 /nfs/dbraw/zinc/13/72/47/501137247.db2.gz KKQHBQOJCGCOEB-UHFFFAOYSA-N -1 3 361.413 3.397 20 0 FGADHM CCOc1cc2c(cc1[C@@H]1C[C@@H]1NC(=O)c1ccccc1[O-])O[C@H](C)C2 ZINC000436494951 501139463 /nfs/dbraw/zinc/13/94/63/501139463.db2.gz MTXDYHYYUKUMAD-PVUWLOKVSA-N -1 3 353.418 3.400 20 0 FGADHM Cc1cccc(-c2nnc3n2C[C@H](C(=O)Nc2ccc([O-])cc2F)CC3)c1 ZINC000450509833 501140606 /nfs/dbraw/zinc/14/06/06/501140606.db2.gz CNHVGBCPBRSLBO-CQSZACIVSA-N -1 3 366.396 3.299 20 0 FGADHM O=C(Nc1ccc([O-])cc1F)c1cnc(OC2CCOCC2)c(Cl)c1 ZINC000450520358 501143327 /nfs/dbraw/zinc/14/33/27/501143327.db2.gz VHIRBXWRTRNGFN-UHFFFAOYSA-N -1 3 366.776 3.390 20 0 FGADHM COc1ccc(CN(CC2CC2)C(=O)c2ccc([O-])c(OC)c2)c(OC)c1 ZINC000436515004 501144780 /nfs/dbraw/zinc/14/47/80/501144780.db2.gz SVCNSQJDBLDGKG-UHFFFAOYSA-N -1 3 371.433 3.470 20 0 FGADHM O=C(Nc1ncc(C(F)(F)F)[nH]1)c1cc(Br)ccc1[O-] ZINC000436517638 501145669 /nfs/dbraw/zinc/14/56/69/501145669.db2.gz VKEALJHDXLVIDP-UHFFFAOYSA-N -1 3 350.094 3.149 20 0 FGADHM Cc1nc(C2(NC(=O)c3ccc4c(c3[O-])OC(C)(C)C4)CCCCC2)no1 ZINC000436536226 501149871 /nfs/dbraw/zinc/14/98/71/501149871.db2.gz AJDAQBQJFULDKG-UHFFFAOYSA-N -1 3 371.437 3.387 20 0 FGADHM O=C(c1cc(F)ccc1[O-])N1CCC(N2CCc3ccccc3C2)CC1 ZINC000436538003 501150934 /nfs/dbraw/zinc/15/09/34/501150934.db2.gz ZOYUOEOFJDSBBU-UHFFFAOYSA-N -1 3 354.425 3.194 20 0 FGADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CCN(c2ncccc2Cl)CC1 ZINC000436540112 501151939 /nfs/dbraw/zinc/15/19/39/501151939.db2.gz NNWNZQINRDIFFI-UHFFFAOYSA-N -1 3 371.868 3.282 20 0 FGADHM CCOC(=O)[C@@H](Cc1ccccc1)N(C(=O)c1cc(C)ccc1[O-])C1CC1 ZINC000436554163 501155321 /nfs/dbraw/zinc/15/53/21/501155321.db2.gz ISJDQHMTAFXFED-LJQANCHMSA-N -1 3 367.445 3.480 20 0 FGADHM COc1cccc(C(=O)N(CCc2ccccn2)Cc2ccncc2)c1[O-] ZINC000436555278 501156317 /nfs/dbraw/zinc/15/63/17/501156317.db2.gz LHYLCTSZFZAMQP-UHFFFAOYSA-N -1 3 363.417 3.076 20 0 FGADHM CCOC(=O)[C@@H](Cc1ccccc1)N(C(=O)c1cccc(C)c1[O-])C1CC1 ZINC000436557303 501156411 /nfs/dbraw/zinc/15/64/11/501156411.db2.gz TVMQESPJGPOXHZ-LJQANCHMSA-N -1 3 367.445 3.480 20 0 FGADHM COc1cc(-c2noc(-c3ccc(C(=O)NC(C)C)cc3)n2)ccc1[O-] ZINC000436565006 501157708 /nfs/dbraw/zinc/15/77/08/501157708.db2.gz LPLWLDJFWHFVQH-UHFFFAOYSA-N -1 3 353.378 3.256 20 0 FGADHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N(C)Cc1ccccc1C ZINC000441670418 501162698 /nfs/dbraw/zinc/16/26/98/501162698.db2.gz APJMNDRPXWJMTH-UHFFFAOYSA-N -1 3 374.462 3.139 20 0 FGADHM CC[C@@H]1CN(C(=O)c2cc3c(cc2[O-])CCCC3)[C@H](CC)CN1C(C)=O ZINC000436585517 501162893 /nfs/dbraw/zinc/16/28/93/501162893.db2.gz JWJHKUOCBYYEJO-QZTJIDSGSA-N -1 3 358.482 3.133 20 0 FGADHM CC[C@@H]1Oc2cc([C@@H](C)NC(=O)c3ccc(C)cc3[O-])ccc2NC1=O ZINC000436584624 501163208 /nfs/dbraw/zinc/16/32/08/501163208.db2.gz JLVQNMGQJUPWOK-PXAZEXFGSA-N -1 3 354.406 3.301 20 0 FGADHM COc1ccc(C(=O)NCc2ccc(C)cc2OC[C@@H]2CCCO2)c([O-])c1 ZINC000436585282 501163241 /nfs/dbraw/zinc/16/32/41/501163241.db2.gz JMRZHYLVRIGJPN-KRWDZBQOSA-N -1 3 371.433 3.197 20 0 FGADHM COc1ccc(C(=O)NCc2ccc(C)cc2OC[C@H]2CCOC2)c([O-])c1 ZINC000436589336 501163658 /nfs/dbraw/zinc/16/36/58/501163658.db2.gz OXDSHALLVATNHL-HNNXBMFYSA-N -1 3 371.433 3.055 20 0 FGADHM COc1ccc(C(=O)NCc2ccc(C)cc2OC[C@@H]2CCOC2)c([O-])c1 ZINC000436589338 501163863 /nfs/dbraw/zinc/16/38/63/501163863.db2.gz OXDSHALLVATNHL-OAHLLOKOSA-N -1 3 371.433 3.055 20 0 FGADHM CC(C)c1ccc(C(=O)Nc2cc(Br)cn(C)c2=O)c([O-])c1 ZINC000436587998 501164022 /nfs/dbraw/zinc/16/40/22/501164022.db2.gz YSWVIQKIYJQVSW-UHFFFAOYSA-N -1 3 365.227 3.229 20 0 FGADHM C[S@](=O)C[C@@H](NC(=O)c1cc2c(cc1[O-])CCCC2)c1ccccc1 ZINC000436588930 501164243 /nfs/dbraw/zinc/16/42/43/501164243.db2.gz JBWJGLHLVJFKCL-CJAUYULYSA-N -1 3 357.475 3.121 20 0 FGADHM CC(=O)c1ccc(C(=O)NCCc2ccc(OC(F)(F)F)cc2)cc1[O-] ZINC000436593243 501165975 /nfs/dbraw/zinc/16/59/75/501165975.db2.gz BAQFGCDMVDKPQY-UHFFFAOYSA-N -1 3 367.323 3.466 20 0 FGADHM CC[C@H](C)NC(=O)c1cccc(CNC(=O)c2ccc(C(C)=O)c([O-])c2)c1 ZINC000436593911 501166049 /nfs/dbraw/zinc/16/60/49/501166049.db2.gz FCGQEUYGDYTIHF-ZDUSSCGKSA-N -1 3 368.433 3.053 20 0 FGADHM O=C(Cc1ccc([O-])c(F)c1)N1CC[C@H](OCCCc2ccccc2)C1 ZINC000450057766 501166560 /nfs/dbraw/zinc/16/65/60/501166560.db2.gz FTUPNIVRWWRMPC-SFHVURJKSA-N -1 3 357.425 3.324 20 0 FGADHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N(C)Cc1cccc(C)c1 ZINC000441707725 501166975 /nfs/dbraw/zinc/16/69/75/501166975.db2.gz ZLEUTOMMTDWMIH-UHFFFAOYSA-N -1 3 374.462 3.139 20 0 FGADHM CNC(=O)Nc1cc(NC(=O)c2ccc3c(c2[O-])CCCC3)ccc1F ZINC000436605683 501168191 /nfs/dbraw/zinc/16/81/91/501168191.db2.gz LGQXPECJSKKKNK-UHFFFAOYSA-N -1 3 357.385 3.414 20 0 FGADHM COc1ccc(C(=O)NC2(Cc3cccc(F)c3)CCOCC2)c([O-])c1 ZINC000436615850 501169804 /nfs/dbraw/zinc/16/98/04/501169804.db2.gz HEHSDLAOOPXSMO-UHFFFAOYSA-N -1 3 359.397 3.062 20 0 FGADHM Cc1ccc([C@@H](Cn2ccnc2)NC(=O)c2ccc(O)cc2[O-])c(C)c1 ZINC000436623722 501172081 /nfs/dbraw/zinc/17/20/81/501172081.db2.gz GVMITYONBYHETF-GOSISDBHSA-N -1 3 351.406 3.082 20 0 FGADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCC=C(F)C1 ZINC000436633236 501174603 /nfs/dbraw/zinc/17/46/03/501174603.db2.gz YUQVSSLSTLIRLI-LJQANCHMSA-N -1 3 368.408 3.339 20 0 FGADHM Cc1ccc(CNC(=O)Cc2ccc([O-])c(F)c2)c(OC[C@@H]2CCOC2)c1 ZINC000450080890 501175030 /nfs/dbraw/zinc/17/50/30/501175030.db2.gz HJTSAXSJGMHEEC-MRXNPFEDSA-N -1 3 373.424 3.114 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N(CC2CCC2)CC(F)(F)F)c([O-])c1 ZINC000436641163 501176045 /nfs/dbraw/zinc/17/60/45/501176045.db2.gz UINBPDKNGSQETD-UHFFFAOYSA-N -1 3 372.387 3.012 20 0 FGADHM O=C(NCCCc1ccc(Br)cc1F)c1c([O-])cccc1O ZINC000436645398 501176987 /nfs/dbraw/zinc/17/69/87/501176987.db2.gz ANPRUVNNFPPMNV-UHFFFAOYSA-N -1 3 368.202 3.362 20 0 FGADHM Cc1ccc(-c2noc([C@H](C)NC(=O)c3c([O-])cccc3O)n2)cc1F ZINC000436645285 501177393 /nfs/dbraw/zinc/17/73/93/501177393.db2.gz BRDBXLQDNKIOPC-JTQLQIEISA-N -1 3 357.341 3.086 20 0 FGADHM Cc1ccc(-c2noc([C@@H](C)NC(=O)c3c([O-])cccc3O)n2)cc1F ZINC000436645287 501177409 /nfs/dbraw/zinc/17/74/09/501177409.db2.gz BRDBXLQDNKIOPC-SNVBAGLBSA-N -1 3 357.341 3.086 20 0 FGADHM CC(=O)c1ccc(C(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)cc1[O-] ZINC000436650602 501178814 /nfs/dbraw/zinc/17/88/14/501178814.db2.gz XCJCIZDPOJRBPX-INIZCTEOSA-N -1 3 366.461 3.331 20 0 FGADHM CCC[C@]1(CO)CCCN1Cc1ccc(OC)c([O-])c1Br ZINC000446896560 501179323 /nfs/dbraw/zinc/17/93/23/501179323.db2.gz ORDBVEQMPWYTGE-MRXNPFEDSA-N -1 3 358.276 3.290 20 0 FGADHM COc1cccc(Oc2ncccc2CNC(=O)c2c([O-])cccc2O)c1 ZINC000436649746 501179212 /nfs/dbraw/zinc/17/92/12/501179212.db2.gz SVUCIVWUCLUYGW-UHFFFAOYSA-N -1 3 366.373 3.224 20 0 FGADHM Cc1ccc(C(=O)Nc2cccc(C(=O)N3CCSCC3)c2)c([O-])c1C ZINC000436653557 501180037 /nfs/dbraw/zinc/18/00/37/501180037.db2.gz FOXHQBBTEQYGFU-UHFFFAOYSA-N -1 3 370.474 3.450 20 0 FGADHM Cc1noc(C2(C)CCN(C(=O)c3cc4c(cc3[O-])CCCC4)CC2)n1 ZINC000436658225 501180683 /nfs/dbraw/zinc/18/06/83/501180683.db2.gz YYUWYVQAZLEKFA-UHFFFAOYSA-N -1 3 355.438 3.156 20 0 FGADHM CCc1ccc(C(=O)N(CCNC(C)=O)Cc2ccc(C)s2)c([O-])c1 ZINC000436661473 501181538 /nfs/dbraw/zinc/18/15/38/501181538.db2.gz WGDVYAVKUIXWHF-UHFFFAOYSA-N -1 3 360.479 3.103 20 0 FGADHM Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)c2c([O-])cccc2O)C1 ZINC000436667145 501183038 /nfs/dbraw/zinc/18/30/38/501183038.db2.gz WPMKPTZPRUJUNY-CYBMUJFWSA-N -1 3 360.841 3.316 20 0 FGADHM CCCCNC(=O)c1ccc(CNC(=O)c2ccc([O-])c(CC)c2)cc1 ZINC000436684383 501187502 /nfs/dbraw/zinc/18/75/02/501187502.db2.gz ZMBLIQKZWDGDGN-UHFFFAOYSA-N -1 3 354.450 3.415 20 0 FGADHM Cc1ccc(C(=O)NCCc2nc(Cc3cc(C)ccc3C)no2)c([O-])c1 ZINC000436691153 501189819 /nfs/dbraw/zinc/18/98/19/501189819.db2.gz SAUGAPRFLJRSJJ-UHFFFAOYSA-N -1 3 365.433 3.264 20 0 FGADHM Cc1c(CN2CCSCC2)cccc1NC(=O)C(=O)c1ccc([O-])cc1 ZINC000436692412 501190118 /nfs/dbraw/zinc/19/01/18/501190118.db2.gz XYJCJKTVYAYFGK-UHFFFAOYSA-N -1 3 370.474 3.071 20 0 FGADHM Cn1c2ccccc2cc(CNC(=O)c2ccc3c(c2[O-])CCCC3)c1=O ZINC000436695674 501190846 /nfs/dbraw/zinc/19/08/46/501190846.db2.gz GJDWAGKERMYEHK-UHFFFAOYSA-N -1 3 362.429 3.053 20 0 FGADHM Cc1ccc(C(=O)N[C@H](CO)c2cccc(Br)c2)c([O-])c1C ZINC000436702041 501191466 /nfs/dbraw/zinc/19/14/66/501191466.db2.gz GMLDNJWRTBBHIX-OAHLLOKOSA-N -1 3 364.239 3.235 20 0 FGADHM CCc1cc(C(=O)Nc2cccc(N3C(=O)N[C@@H](CC)C3=O)c2)ccc1[O-] ZINC000436712322 501194972 /nfs/dbraw/zinc/19/49/72/501194972.db2.gz FVTDPZJMCCWIOZ-INIZCTEOSA-N -1 3 367.405 3.042 20 0 FGADHM COc1cccc(C(=O)N[C@@H](c2nccn2C)c2ccc(Cl)cc2)c1[O-] ZINC000436715411 501195627 /nfs/dbraw/zinc/19/56/27/501195627.db2.gz KZQRAPZMMLAZRC-MRXNPFEDSA-N -1 3 371.824 3.307 20 0 FGADHM O=C(NCCCCC1CCCC1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436736565 501200542 /nfs/dbraw/zinc/20/05/42/501200542.db2.gz GOXMNGBVMVXUHA-UHFFFAOYSA-N -1 3 373.497 3.220 20 0 FGADHM CN(C)C[C@@H](NC(=O)c1cc(F)cc(Cl)c1[O-])c1ccc(F)cc1 ZINC000436736682 501200991 /nfs/dbraw/zinc/20/09/91/501200991.db2.gz ORDMTSQDTINWBT-OAHLLOKOSA-N -1 3 354.784 3.357 20 0 FGADHM CC[C@@H](C)c1nc([C@H](C)NC(=O)c2cc(Cl)c([O-])c(OC)c2)n[nH]1 ZINC000436743501 501202129 /nfs/dbraw/zinc/20/21/29/501202129.db2.gz HIWYLQWDCRQQJQ-BDAKNGLRSA-N -1 3 352.822 3.177 20 0 FGADHM CCN1CC[C@H](NC(=O)c2ccccc2[O-])[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000436740755 501202602 /nfs/dbraw/zinc/20/26/02/501202602.db2.gz RGBZETCTUCIHIH-YJBOKZPZSA-N -1 3 364.367 3.375 20 0 FGADHM CC(C)Oc1ccc([C@@H](CNC(=O)c2ccc([O-])cc2F)N(C)C)cc1 ZINC000436744627 501203384 /nfs/dbraw/zinc/20/33/84/501203384.db2.gz OCKPRARCVOWKPK-LJQANCHMSA-N -1 3 360.429 3.351 20 0 FGADHM CCOC(=O)C1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CC1 ZINC000436749426 501204028 /nfs/dbraw/zinc/20/40/28/501204028.db2.gz AWIHMMJCOHVOFW-UHFFFAOYSA-N -1 3 367.445 3.398 20 0 FGADHM Cc1ccnc(N2CCN(C(=O)c3ccc(C(F)(F)F)cc3[O-])CC2)c1 ZINC000436749900 501204195 /nfs/dbraw/zinc/20/41/95/501204195.db2.gz CMCJBGQVALNOKK-UHFFFAOYSA-N -1 3 365.355 3.077 20 0 FGADHM Cc1ccc(C(=O)N[C@H](c2nccn2C)c2cccc(F)c2)c([O-])c1C ZINC000436758896 501205922 /nfs/dbraw/zinc/20/59/22/501205922.db2.gz ZAKWDXAXELQJNS-KRWDZBQOSA-N -1 3 353.397 3.401 20 0 FGADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)Nc1cc(Cl)cc(F)c1F ZINC000442193255 501206312 /nfs/dbraw/zinc/20/63/12/501206312.db2.gz VKDIYGPZJSWYFU-UHFFFAOYSA-N -1 3 355.654 3.077 20 0 FGADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)Nc1cc(Cl)cc(F)c1F ZINC000442193255 501206313 /nfs/dbraw/zinc/20/63/13/501206313.db2.gz VKDIYGPZJSWYFU-UHFFFAOYSA-N -1 3 355.654 3.077 20 0 FGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)Nc1cc(Cl)cc(F)c1F ZINC000442193255 501206314 /nfs/dbraw/zinc/20/63/14/501206314.db2.gz VKDIYGPZJSWYFU-UHFFFAOYSA-N -1 3 355.654 3.077 20 0 FGADHM COc1ccc([C@@H](CNC(=O)c2ccc(O)cc2[O-])N2CCCCC2)cc1 ZINC000436766104 501207474 /nfs/dbraw/zinc/20/74/74/501207474.db2.gz ZXSAIERIJJTLGL-LJQANCHMSA-N -1 3 370.449 3.063 20 0 FGADHM Cc1cc(CNC(=O)c2ccc(C(C)C)cc2[O-])nc(N2CCCC2)n1 ZINC000436770835 501208934 /nfs/dbraw/zinc/20/89/34/501208934.db2.gz QOGGNFZEWLBAAC-UHFFFAOYSA-N -1 3 354.454 3.144 20 0 FGADHM Cc1nc2ccc(CN3CCN(C(=O)c4ccc([O-])cc4)CC3)cc2s1 ZINC000436784396 501211004 /nfs/dbraw/zinc/21/10/04/501211004.db2.gz XFOJEXPBCSEOAV-UHFFFAOYSA-N -1 3 367.474 3.268 20 0 FGADHM COC(=O)[C@H](NC(=O)c1cccc(OC)c1[O-])c1ccc2ccccc2c1 ZINC000436793565 501212831 /nfs/dbraw/zinc/21/28/31/501212831.db2.gz LFRJQOFVSWIXMX-GOSISDBHSA-N -1 3 365.385 3.198 20 0 FGADHM COc1ccc2c(c1)CCC[C@@H]2CNC(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000436801687 501213458 /nfs/dbraw/zinc/21/34/58/501213458.db2.gz DOHGUNCGWTVGSV-CQSZACIVSA-N -1 3 371.433 3.268 20 0 FGADHM O=C(N[C@@H]1CCN(c2cccc(Br)c2)C1)c1ccccc1[O-] ZINC000436817947 501216142 /nfs/dbraw/zinc/21/61/42/501216142.db2.gz YZORPBWVRYAVTM-CYBMUJFWSA-N -1 3 361.239 3.163 20 0 FGADHM CCc1ccc(C(=O)Nc2ccc(C)c(N3C(=O)CCC3=O)c2)c([O-])c1 ZINC000436821660 501216413 /nfs/dbraw/zinc/21/64/13/501216413.db2.gz QBHSJYWZVBHZCF-UHFFFAOYSA-N -1 3 352.390 3.169 20 0 FGADHM COc1cc(C)cc(C(=O)Nc2nc3cc4c(cc3s2)OCCO4)c1[O-] ZINC000436831007 501218191 /nfs/dbraw/zinc/21/81/91/501218191.db2.gz OZRNSYRPRHCZSW-UHFFFAOYSA-N -1 3 372.402 3.342 20 0 FGADHM CN(C)[C@H](CNC(=O)c1c([O-])cccc1O)c1cccc(C(F)(F)F)c1 ZINC000436831268 501218208 /nfs/dbraw/zinc/21/82/08/501218208.db2.gz SGKVMHTWBDAJFC-CYBMUJFWSA-N -1 3 368.355 3.149 20 0 FGADHM CCc1ccc(C(=O)NCCC2CCN(CC(F)(F)F)CC2)c([O-])c1 ZINC000436832951 501218463 /nfs/dbraw/zinc/21/84/63/501218463.db2.gz ULAFKMNJQVPQOB-UHFFFAOYSA-N -1 3 358.404 3.349 20 0 FGADHM CCc1ccc(-c2nc(Cc3nc(-c4ccccc4)nn3C)no2)c([O-])c1 ZINC000436869990 501224610 /nfs/dbraw/zinc/22/46/10/501224610.db2.gz MIAFFKALJYDGHS-UHFFFAOYSA-N -1 3 361.405 3.391 20 0 FGADHM CCc1ccc(-c2nc(CC(=O)NCc3ccc(F)c(F)c3)no2)c([O-])c1 ZINC000436880802 501226696 /nfs/dbraw/zinc/22/66/96/501226696.db2.gz PZGUTOVITSKLDM-UHFFFAOYSA-N -1 3 373.359 3.142 20 0 FGADHM COc1cccc([C@@H]2[C@@H](NC(=O)c3cccc(C)c3[O-])CCN2C2CC2)c1 ZINC000436884513 501227158 /nfs/dbraw/zinc/22/71/58/501227158.db2.gz AMGGDBBLLYCWMY-VQTJNVASSA-N -1 3 366.461 3.417 20 0 FGADHM COc1cccc(-c2nc(C(C)(C)NC(=O)c3ccccc3)no2)c1[O-] ZINC000436886936 501227162 /nfs/dbraw/zinc/22/71/62/501227162.db2.gz VIYNWAMZUHINOW-UHFFFAOYSA-N -1 3 353.378 3.116 20 0 FGADHM COc1cccc([C@@H]2[C@H](NC(=O)c3cccc(C)c3[O-])CCN2C2CC2)c1 ZINC000436884514 501227168 /nfs/dbraw/zinc/22/71/68/501227168.db2.gz AMGGDBBLLYCWMY-WOJBJXKFSA-N -1 3 366.461 3.417 20 0 FGADHM Cc1cc(C(=O)Nc2cccc(NC(=O)[C@@H](C)n3cccn3)c2)ccc1[O-] ZINC000436899757 501229781 /nfs/dbraw/zinc/22/97/81/501229781.db2.gz FSRINCIGDXHABD-CQSZACIVSA-N -1 3 364.405 3.349 20 0 FGADHM COc1cccc(-c2nc(-c3cccc(N4CCCC4=O)c3)no2)c1[O-] ZINC000436901662 501229821 /nfs/dbraw/zinc/22/98/21/501229821.db2.gz MYLVWVNWEMHFPD-UHFFFAOYSA-N -1 3 351.362 3.245 20 0 FGADHM COc1cc(NC2CCN(C(=O)c3ccc([O-])c(C)c3)CC2)cc(OC)c1 ZINC000436902881 501229980 /nfs/dbraw/zinc/22/99/80/501229980.db2.gz KYOALFSFQIWGJE-UHFFFAOYSA-N -1 3 370.449 3.435 20 0 FGADHM CC(C)CN(C)C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436908380 501230763 /nfs/dbraw/zinc/23/07/63/501230763.db2.gz ITIIIXXLYBHOMD-LJQANCHMSA-N -1 3 354.450 3.368 20 0 FGADHM C[C@@H]1C[C@H]1CNC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436908785 501230861 /nfs/dbraw/zinc/23/08/61/501230861.db2.gz KAELNTYYRIZFBB-LJHODMEESA-N -1 3 352.434 3.026 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NC[C@H]2CC[C@H](C)C2)c1 ZINC000436915684 501231681 /nfs/dbraw/zinc/23/16/81/501231681.db2.gz RVVQJBNWZPGRDB-AAEUAGOBSA-N -1 3 357.410 3.107 20 0 FGADHM C[C@H](C(=O)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1)N1CCCCCC1 ZINC000436916370 501231984 /nfs/dbraw/zinc/23/19/84/501231984.db2.gz SXIMUHZPALEGHT-LLVKDONJSA-N -1 3 363.849 3.034 20 0 FGADHM Cc1cccc(C(=O)N[C@H]2CCCN(c3ccccc3Cl)C2=O)c1[O-] ZINC000436921835 501233513 /nfs/dbraw/zinc/23/35/13/501233513.db2.gz VKRBCTQSDFDTKY-HNNXBMFYSA-N -1 3 358.825 3.279 20 0 FGADHM COc1ccc(-c2nc(-c3ccc4c(c3)C(SC)C(=O)N4)no2)c([O-])c1 ZINC000436925064 501233959 /nfs/dbraw/zinc/23/39/59/501233959.db2.gz FEBKXWAUPVBMMR-OAHLLOKOSA-N -1 3 369.402 3.474 20 0 FGADHM COc1ccc(Br)c(CNC(=O)c2ccc([O-])c(C)c2)c1 ZINC000436926031 501233992 /nfs/dbraw/zinc/23/39/92/501233992.db2.gz LFRIDOFQDQTUGH-UHFFFAOYSA-N -1 3 350.212 3.402 20 0 FGADHM CO[C@@H](C)CS(=O)(=O)[N-]c1ccc(-c2cn3cccc(C)c3n2)cc1 ZINC000450965574 501235471 /nfs/dbraw/zinc/23/54/71/501235471.db2.gz FOHREDYKVJKZLM-AWEZNQCLSA-N -1 3 359.451 3.086 20 0 FGADHM CN(C)[C@@H](C[N-]S(=O)(=O)c1sccc1Cl)c1cccs1 ZINC000450980431 501236534 /nfs/dbraw/zinc/23/65/34/501236534.db2.gz MQUPGAIVFIZUTI-JTQLQIEISA-N -1 3 350.918 3.044 20 0 FGADHM COc1ccc(OC)c([C@@H](C)[N-]S(=O)(=O)c2sccc2Cl)c1 ZINC000450995077 501237575 /nfs/dbraw/zinc/23/75/75/501237575.db2.gz BAYNHDLRLXHEBF-SECBINFHSA-N -1 3 361.872 3.458 20 0 FGADHM CCN(CC)[C@@H](C[N-]S(=O)(=O)C[C@@H]1CCCC1(F)F)c1ccco1 ZINC000451131748 501247435 /nfs/dbraw/zinc/24/74/35/501247435.db2.gz SRFAOVBVMPHWAM-KBPBESRZSA-N -1 3 364.458 3.017 20 0 FGADHM CO[C@H](C[N-]S(=O)(=O)C[C@@H]1CCCC1(F)F)c1cccc(Cl)c1 ZINC000451289546 501257797 /nfs/dbraw/zinc/25/77/97/501257797.db2.gz XQPJUULZYUOIPG-GXTWGEPZSA-N -1 3 367.845 3.382 20 0 FGADHM COC[C@@H](CNC(=O)NCc1ccc([O-])c(F)c1)c1ccc(Cl)cc1 ZINC000455333750 501274086 /nfs/dbraw/zinc/27/40/86/501274086.db2.gz CEYYOSYUSUHFFS-CQSZACIVSA-N -1 3 366.820 3.414 20 0 FGADHM Cc1ccnc([C@H]([N-]S(=O)(=O)Cc2c(F)cccc2Cl)C2CC2)n1 ZINC000451365898 501276518 /nfs/dbraw/zinc/27/65/18/501276518.db2.gz HNZHMILQGFUGQF-OAHLLOKOSA-N -1 3 369.849 3.148 20 0 FGADHM Cn1c2c(nc1[C@@H]1CCCN1C(=O)Cc1ccc([O-])c(F)c1)CCCC2 ZINC000451401970 501283847 /nfs/dbraw/zinc/28/38/47/501283847.db2.gz AODTUTPPAZZEHM-KRWDZBQOSA-N -1 3 357.429 3.050 20 0 FGADHM CCC[C@@H](OC)c1noc(-c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)n1 ZINC000453200845 501289914 /nfs/dbraw/zinc/28/99/14/501289914.db2.gz MDYMVLKYSZFSRA-CYBMUJFWSA-N -1 3 371.434 3.050 20 0 FGADHM CC(C)(Cc1ccc(Cl)cc1)c1noc(C(C)(C)[N-]S(C)(=O)=O)n1 ZINC000453271842 501304536 /nfs/dbraw/zinc/30/45/36/501304536.db2.gz UJNRNLFNWVAPSR-UHFFFAOYSA-N -1 3 371.890 3.028 20 0 FGADHM COC(=O)CC1(NC(=O)CCc2ccc3ccccc3c2[O-])CCCC1 ZINC000451529480 501313761 /nfs/dbraw/zinc/31/37/61/501313761.db2.gz HMHLGNDXCAHVCN-UHFFFAOYSA-N -1 3 355.434 3.470 20 0 FGADHM Cc1n[nH]cc1CCC[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000451555814 501322512 /nfs/dbraw/zinc/32/25/12/501322512.db2.gz CGWXVPBDXHBLLR-UHFFFAOYSA-N -1 3 362.282 3.244 20 0 FGADHM COC[C@H]([N-]S(=O)(=O)C[C@H]1CCCC1(F)F)c1cccc(Cl)c1 ZINC000451567522 501326501 /nfs/dbraw/zinc/32/65/01/501326501.db2.gz PGAFLEJDLCBXQT-OCCSQVGLSA-N -1 3 367.845 3.382 20 0 FGADHM COC1(C[N-]S(=O)(=O)c2sc(C)cc2Br)CCCC1 ZINC000451607483 501335866 /nfs/dbraw/zinc/33/58/66/501335866.db2.gz IKJIYTOAXWBRFT-UHFFFAOYSA-N -1 3 368.318 3.057 20 0 FGADHM Cc1c(S(=O)(=O)[N-]CCC(C)(F)F)cnn1-c1ccc(Cl)cc1 ZINC000451608208 501335977 /nfs/dbraw/zinc/33/59/77/501335977.db2.gz AJRNXMCJVTYTSE-UHFFFAOYSA-N -1 3 363.817 3.158 20 0 FGADHM CCn1cc(S(=O)(=O)[N-][C@H]2CCCC[C@H]2CC(F)(F)F)nc1C ZINC000451723307 501360231 /nfs/dbraw/zinc/36/02/31/501360231.db2.gz YUQJNNWWJWZUNU-RYUDHWBXSA-N -1 3 353.410 3.001 20 0 FGADHM O=S(=O)([N-]C1(CF)CCOCC1)c1ccc(Cl)c2ccccc21 ZINC000451738607 501363685 /nfs/dbraw/zinc/36/36/85/501363685.db2.gz QXNQSGVURXBVFA-UHFFFAOYSA-N -1 3 357.834 3.290 20 0 FGADHM CCn1ccnc1C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000451751453 501365399 /nfs/dbraw/zinc/36/53/99/501365399.db2.gz BLWIYTVFVHBIIU-UHFFFAOYSA-N -1 3 368.673 3.342 20 0 FGADHM CC[C@@H]1C[C@H]1C[N-]S(=O)(=O)c1cc(Cl)ccc1O[C@@H](C)COC ZINC000451820303 501379562 /nfs/dbraw/zinc/37/95/62/501379562.db2.gz ABAAJKDWRBDJGR-XQQFMLRXSA-N -1 3 361.891 3.078 20 0 FGADHM CCCN(CCN1CCCC1)C(=O)c1cc(Br)c(F)cc1[O-] ZINC000451922002 501401688 /nfs/dbraw/zinc/40/16/88/501401688.db2.gz DNRQLYIILHVKFW-UHFFFAOYSA-N -1 3 373.266 3.242 20 0 FGADHM CCCc1ncc(C[N-]S(=O)(=O)c2cccc(Br)c2C)o1 ZINC000451956657 501407728 /nfs/dbraw/zinc/40/77/28/501407728.db2.gz HTBBVHUFRRGFMD-UHFFFAOYSA-N -1 3 373.272 3.177 20 0 FGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]CC(C)(C)C(C)(C)O)c1Cl ZINC000452030468 501420613 /nfs/dbraw/zinc/42/06/13/501420613.db2.gz HIXLZXVEDXKDMW-UHFFFAOYSA-N -1 3 354.299 3.377 20 0 FGADHM C[C@@]1(NC(=O)Cc2csc(NC(=O)c3cccc([O-])c3)n2)CC=CCC1 ZINC000458329530 501421802 /nfs/dbraw/zinc/42/18/02/501421802.db2.gz DUZKRVDZUQYPIR-LJQANCHMSA-N -1 3 371.462 3.259 20 0 FGADHM C[C@@H]1C[C@@H](O)CN(Cc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)C1 ZINC000452065878 501427985 /nfs/dbraw/zinc/42/79/85/501427985.db2.gz IVAPEVBFKWVAPH-TZMCWYRMSA-N -1 3 355.463 3.267 20 0 FGADHM CCO[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000452064345 501428149 /nfs/dbraw/zinc/42/81/49/501428149.db2.gz ZRSMTVOOJFHXRV-ZIAGYGMSSA-N -1 3 352.481 3.046 20 0 FGADHM CS(=O)(=O)[N-]c1ccc(C(=O)N[C@@H]2CCCc3c(F)cccc32)cc1 ZINC000452193748 501458469 /nfs/dbraw/zinc/45/84/69/501458469.db2.gz NYYYSQUJLOCMNN-QGZVFWFLSA-N -1 3 362.426 3.005 20 0 FGADHM CCOc1nc2ccc(C(=O)Nc3cnn(C4CCOCC4)c3C)cc2[n-]1 ZINC000452258904 501468442 /nfs/dbraw/zinc/46/84/42/501468442.db2.gz NASPGDOUTMXKSC-UHFFFAOYSA-N -1 3 369.425 3.070 20 0 FGADHM CCOc1nc2cc(C(=O)Nc3cnn(C4CCOCC4)c3C)ccc2[n-]1 ZINC000452258904 501468446 /nfs/dbraw/zinc/46/84/46/501468446.db2.gz NASPGDOUTMXKSC-UHFFFAOYSA-N -1 3 369.425 3.070 20 0 FGADHM CC[C@@H](C)[C@H](CNC(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1)OC ZINC000452415470 501495235 /nfs/dbraw/zinc/49/52/35/501495235.db2.gz PUYQIWXZHLRLKY-KUHUBIRLSA-N -1 3 355.434 3.414 20 0 FGADHM C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000454277204 501499867 /nfs/dbraw/zinc/49/98/67/501499867.db2.gz PLOQGKCRGDQQRR-XNJGSVPQSA-N -1 3 363.417 3.369 20 0 FGADHM CCc1ccc([C@@H]2CCN(C(=O)NCc3nnc(C(F)(F)F)[n-]3)C2)cc1 ZINC000458657972 501500518 /nfs/dbraw/zinc/50/05/18/501500518.db2.gz NWHBSHMMHWSXHR-CYBMUJFWSA-N -1 3 367.375 3.085 20 0 FGADHM CCc1ccc([C@@H]2CCN(C(=O)NCc3n[n-]c(C(F)(F)F)n3)C2)cc1 ZINC000458657972 501500519 /nfs/dbraw/zinc/50/05/19/501500519.db2.gz NWHBSHMMHWSXHR-CYBMUJFWSA-N -1 3 367.375 3.085 20 0 FGADHM CCc1ccc([C@@H]2CCN(C(=O)NCc3nc(C(F)(F)F)n[n-]3)C2)cc1 ZINC000458657972 501500520 /nfs/dbraw/zinc/50/05/20/501500520.db2.gz NWHBSHMMHWSXHR-CYBMUJFWSA-N -1 3 367.375 3.085 20 0 FGADHM CCC1(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)CC1 ZINC000452462227 501505309 /nfs/dbraw/zinc/50/53/09/501505309.db2.gz XVTZAYNPJZHNSZ-UHFFFAOYSA-N -1 3 362.426 3.299 20 0 FGADHM Cc1nc2cc(NC(=O)c3ccc(C)c(C)c3[O-])ccc2n1[C@@H](C)CO ZINC000456705656 501582243 /nfs/dbraw/zinc/58/22/43/501582243.db2.gz IIYAJAXLASYYHI-LBPRGKRZSA-N -1 3 353.422 3.473 20 0 FGADHM CC[C@@H]1[C@@H](CO)CCN1C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000452966132 501594364 /nfs/dbraw/zinc/59/43/64/501594364.db2.gz WWIKIHJULZODNY-UYAOXDASSA-N -1 3 353.462 3.410 20 0 FGADHM Cc1nc(S(=O)(=O)[C@H](C)C(=O)Nc2ccc(C(C)(C)C)cc2)[n-]c1C ZINC000453028845 501604506 /nfs/dbraw/zinc/60/45/06/501604506.db2.gz RGQLVZWWESGYRQ-CYBMUJFWSA-N -1 3 363.483 3.125 20 0 FGADHM Cc1noc([C@H]2CCCN(Cc3cccc([O-])c3Br)C2)n1 ZINC000459330921 501632371 /nfs/dbraw/zinc/63/23/71/501632371.db2.gz SEMWSKSFXPAKIF-LBPRGKRZSA-N -1 3 352.232 3.226 20 0 FGADHM COc1ccc(OC)c([C@H]2CCCN2Cc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000459295937 501626695 /nfs/dbraw/zinc/62/66/95/501626695.db2.gz DQDMSOPDMOGRCF-QGZVFWFLSA-N -1 3 355.438 3.414 20 0 FGADHM O=c1cc(CN2CCCN(Cc3ccc(Cl)cc3)CC2)nc(C2CC2)[n-]1 ZINC000459305580 501627948 /nfs/dbraw/zinc/62/79/48/501627948.db2.gz ZSFSNYYLCJEJGX-UHFFFAOYSA-N -1 3 372.900 3.421 20 0 FGADHM C[C@H](NC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)[C@H]1CCC[C@H](C)C1 ZINC000456992405 501631410 /nfs/dbraw/zinc/63/14/10/501631410.db2.gz GEXWMUBQBWLGSR-AVGNSLFASA-N -1 3 356.463 3.142 20 0 FGADHM CCOc1cc(CN2CC[C@@H]([C@@H]3CCOC3)C2)cc(Br)c1[O-] ZINC000459336536 501634023 /nfs/dbraw/zinc/63/40/23/501634023.db2.gz HZCQWROVZNZONL-ZIAGYGMSSA-N -1 3 370.287 3.412 20 0 FGADHM O=c1cc(CN(Cc2ccccc2)CC2(O)CCCC2)nc(C2CC2)[n-]1 ZINC000459353990 501637695 /nfs/dbraw/zinc/63/76/95/501637695.db2.gz AVOSQEQMATZGHA-UHFFFAOYSA-N -1 3 353.466 3.367 20 0 FGADHM CCc1ccc([C@H](COC)NCc2cc(=O)[n-]c(-c3ccccc3)n2)o1 ZINC000459396089 501646182 /nfs/dbraw/zinc/64/61/82/501646182.db2.gz BUFLRQKULVRESA-KRWDZBQOSA-N -1 3 353.422 3.482 20 0 FGADHM C[C@H](NCc1cc(=O)[n-]c(C2CC2)n1)c1nc(-c2cccc(F)c2)no1 ZINC000459412904 501649495 /nfs/dbraw/zinc/64/94/95/501649495.db2.gz WKONJRVWFWRLAK-JTQLQIEISA-N -1 3 355.373 3.100 20 0 FGADHM O=c1cc(CN2CCO[C@H](c3ccc(F)cc3Cl)C2)nc(C2CC2)[n-]1 ZINC000459415720 501650083 /nfs/dbraw/zinc/65/00/83/501650083.db2.gz WZHXLVGAHMKDSM-INIZCTEOSA-N -1 3 363.820 3.426 20 0 FGADHM Cc1csc([C@@H]2COCCN2Cc2cc(=O)[n-]c(-c3ccccc3)n2)n1 ZINC000459422036 501650987 /nfs/dbraw/zinc/65/09/87/501650987.db2.gz FLTZZOVCIUNQHW-INIZCTEOSA-N -1 3 368.462 3.188 20 0 FGADHM C[C@@H](NCc1cccc([O-])c1Br)[C@@H](O)Cc1ccccc1 ZINC000459443693 501655169 /nfs/dbraw/zinc/65/51/69/501655169.db2.gz FAXWFROGGVLWPS-WBMJQRKESA-N -1 3 350.256 3.236 20 0 FGADHM O=c1cc(CN2CC[C@H](c3nc(C4CC4)no3)C2)nc(-c2ccccc2)[n-]1 ZINC000459457692 501657639 /nfs/dbraw/zinc/65/76/39/501657639.db2.gz GSYQDJAFYORMNQ-HNNXBMFYSA-N -1 3 363.421 3.099 20 0 FGADHM Cc1csc([C@@H]2COCCN2Cc2cccc([O-])c2Br)n1 ZINC000459490016 501662878 /nfs/dbraw/zinc/66/28/78/501662878.db2.gz KMYZEPHOEUJXET-LBPRGKRZSA-N -1 3 369.284 3.493 20 0 FGADHM C[S@@](=O)C[C@@H](NCc1cccc([O-])c1Br)c1ccccc1 ZINC000459491146 501663081 /nfs/dbraw/zinc/66/30/81/501663081.db2.gz ZQDORSYRMXNRFE-SPLOXXLWSA-N -1 3 368.296 3.364 20 0 FGADHM CC(=O)N(C[C@@H]1CCCN1Cc1cccc([O-])c1Br)C1CC1 ZINC000459513278 501667262 /nfs/dbraw/zinc/66/72/62/501667262.db2.gz OEUHNBZXSNNDIE-HNNXBMFYSA-N -1 3 367.287 3.130 20 0 FGADHM [O-]c1cccc(CN2CC[C@@H](n3cc(Cl)cn3)C2)c1Br ZINC000459554172 501675419 /nfs/dbraw/zinc/67/54/19/501675419.db2.gz DALZLPXUNJIUSL-GFCCVEGCSA-N -1 3 356.651 3.452 20 0 FGADHM CCOc1cc(CN2CC[C@H](OC)[C@H](C)C2)cc(Br)c1[O-] ZINC000459577865 501680335 /nfs/dbraw/zinc/68/03/35/501680335.db2.gz MFINRTAMDDGIMH-RISCZKNCSA-N -1 3 358.276 3.410 20 0 FGADHM CC(C)[C@@H]1N(C(=O)N=c2cc3ccc(Br)cn3[n-]2)CC1(C)C ZINC000455254228 501716997 /nfs/dbraw/zinc/71/69/97/501716997.db2.gz XFCXPYSEVWXNBO-AWEZNQCLSA-N -1 3 365.275 3.417 20 0 FGADHM COc1ccc(-c2nc([N-]C(=O)c3cc(C(C)=O)cs3)n[nH]2)cc1OC ZINC000592830628 506269567 /nfs/dbraw/zinc/26/95/67/506269567.db2.gz MNNRVOGALYMVEO-UHFFFAOYSA-N -1 3 372.406 3.005 20 0 FGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@@H]1CCN(C)[C@H](C)C1 ZINC000470604204 501740739 /nfs/dbraw/zinc/74/07/39/501740739.db2.gz AGBWLXDBKUYSOL-ZWNOBZJWSA-N -1 3 356.875 3.156 20 0 FGADHM Cc1ncc(CNC(=O)CCCc2cccc(C(F)(F)F)c2)c(=O)[n-]1 ZINC000474207747 501744036 /nfs/dbraw/zinc/74/40/36/501744036.db2.gz BGSGHRQIMDLYHH-UHFFFAOYSA-N -1 3 353.344 3.149 20 0 FGADHM CSc1ccc(Cl)cc1[N-]C(=O)c1cn(Cc2ccccn2)nn1 ZINC000463503662 501744301 /nfs/dbraw/zinc/74/43/01/501744301.db2.gz VYXUGRAPLLZEGZ-UHFFFAOYSA-N -1 3 359.842 3.349 20 0 FGADHM CCNC(=O)N(C)c1cccc(NC(=O)c2cc(-c3ccc(C)o3)[n-]n2)c1 ZINC000477662719 501752580 /nfs/dbraw/zinc/75/25/80/501752580.db2.gz HLMBZKUTZROZOK-UHFFFAOYSA-N -1 3 367.409 3.396 20 0 FGADHM CCNC(=O)N(C)c1cccc(NC(=O)c2cc(-c3ccc(C)o3)n[n-]2)c1 ZINC000477662719 501752584 /nfs/dbraw/zinc/75/25/84/501752584.db2.gz HLMBZKUTZROZOK-UHFFFAOYSA-N -1 3 367.409 3.396 20 0 FGADHM CCOc1cc(CN2CCOCC23CCC3)cc(Br)c1[O-] ZINC000485272030 501774943 /nfs/dbraw/zinc/77/49/43/501774943.db2.gz MNTYGUGTBYAUOS-UHFFFAOYSA-N -1 3 356.260 3.308 20 0 FGADHM CSc1c(F)cc(NC(=O)NCc2nnc(C(F)(F)F)[n-]2)cc1F ZINC000481453349 501780388 /nfs/dbraw/zinc/78/03/88/501780388.db2.gz PRZYWXSMAVAECM-UHFFFAOYSA-N -1 3 367.303 3.145 20 0 FGADHM CSc1c(F)cc(NC(=O)NCc2n[n-]c(C(F)(F)F)n2)cc1F ZINC000481453349 501780392 /nfs/dbraw/zinc/78/03/92/501780392.db2.gz PRZYWXSMAVAECM-UHFFFAOYSA-N -1 3 367.303 3.145 20 0 FGADHM CSc1c(F)cc(NC(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1F ZINC000481453349 501780393 /nfs/dbraw/zinc/78/03/93/501780393.db2.gz PRZYWXSMAVAECM-UHFFFAOYSA-N -1 3 367.303 3.145 20 0 FGADHM Cc1noc(C)c1CNc1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000485296682 501781362 /nfs/dbraw/zinc/78/13/62/501781362.db2.gz YHOZJSNCCKORHT-UHFFFAOYSA-N -1 3 355.435 3.119 20 0 FGADHM Cc1nc(C)c(S(=O)(=O)[N-][C@H](C)c2ccc(OC(F)F)cc2)s1 ZINC000481469125 501784628 /nfs/dbraw/zinc/78/46/28/501784628.db2.gz YLVOGZMUGJMFHS-MRVPVSSYSA-N -1 3 362.423 3.401 20 0 FGADHM CC(C)(C)OC(=O)CCC(C)(C)[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000470768821 501796384 /nfs/dbraw/zinc/79/63/84/501796384.db2.gz FOAUPPNPTVXOEF-UHFFFAOYSA-N -1 3 363.426 3.144 20 0 FGADHM Cc1nn(C)c(C)c1CN[C@H](CC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000485390556 501806086 /nfs/dbraw/zinc/80/60/86/501806086.db2.gz RATIRBLBRCTFFC-OAHLLOKOSA-N -1 3 355.360 3.361 20 0 FGADHM CCOC[C@H]([N-]S(=O)(=O)c1sc(C)cc1Br)C(C)C ZINC000474370215 501809040 /nfs/dbraw/zinc/80/90/40/501809040.db2.gz CLBFBIOZECGXEN-NSHDSACASA-N -1 3 370.334 3.158 20 0 FGADHM C[C@@H](c1cccc(O)c1)N(C)C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000485425580 501817856 /nfs/dbraw/zinc/81/78/56/501817856.db2.gz GXUAAQNQLDFLIR-JTQLQIEISA-N -1 3 358.344 3.345 20 0 FGADHM COCc1nc(SCC(=O)Nc2cccc(Oc3ccccc3)c2)n[n-]1 ZINC000474396437 501820626 /nfs/dbraw/zinc/82/06/26/501820626.db2.gz VQKNFAKKDLACQS-UHFFFAOYSA-N -1 3 370.434 3.474 20 0 FGADHM Cc1cc([N-]S(=O)(=O)c2cc3cc(Cl)ccc3s2)c(=O)n(C)c1 ZINC000481578922 501820674 /nfs/dbraw/zinc/82/06/74/501820674.db2.gz DPVBMWGBANSLQP-UHFFFAOYSA-N -1 3 368.867 3.363 20 0 FGADHM CC(C)Cn1cnc(S(=O)(=O)[N-][C@H]2CC[C@@H](c3ccccc3F)C2)c1 ZINC000481587767 501824220 /nfs/dbraw/zinc/82/42/20/501824220.db2.gz QRBVPGXWESKNLD-CABCVRRESA-N -1 3 365.474 3.293 20 0 FGADHM O=S(=O)([N-]Cc1nc(-c2cccc(Cl)c2F)no1)c1cccs1 ZINC000460529032 501850365 /nfs/dbraw/zinc/85/03/65/501850365.db2.gz ODVIVGRAFOFXQY-UHFFFAOYSA-N -1 3 373.818 3.069 20 0 FGADHM CCOc1ccc(C(=O)N=c2cc(-c3cc(F)cc(F)c3)[n-][nH]2)cc1OC ZINC000467710395 501850729 /nfs/dbraw/zinc/85/07/29/501850729.db2.gz HVQDRLRVZZZAEL-UHFFFAOYSA-N -1 3 373.359 3.436 20 0 FGADHM COC(=O)c1cc(F)cc([N-]C(=O)c2sc([C@@H](C)OC)nc2C)c1F ZINC000478091515 501878527 /nfs/dbraw/zinc/87/85/27/501878527.db2.gz ZIBODLUGCXBZPG-MRVPVSSYSA-N -1 3 370.377 3.476 20 0 FGADHM CCCc1nc(C)c(NC(=O)c2ccc([N-]S(C)(=O)=O)cc2)s1 ZINC000485620451 501878785 /nfs/dbraw/zinc/87/87/85/501878785.db2.gz GDIPTZNYDWOMTB-UHFFFAOYSA-N -1 3 353.469 3.028 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1Cl)[C@H](c1ccccc1)N(C)C ZINC000474573387 501880487 /nfs/dbraw/zinc/88/04/87/501880487.db2.gz FUXDYJHILBRSSA-YVEFUNNKSA-N -1 3 370.877 3.449 20 0 FGADHM COc1ccccc1OCCC(=O)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1 ZINC000467812294 501882042 /nfs/dbraw/zinc/88/20/42/501882042.db2.gz SLPLURPNSVMFIO-UHFFFAOYSA-N -1 3 373.359 3.193 20 0 FGADHM CCn1c([N-]C(=O)C(=O)Nc2ccc(Cl)c(F)c2)nc2ccccc21 ZINC000485675094 501897641 /nfs/dbraw/zinc/89/76/41/501897641.db2.gz QZRQBSXOQDKTRZ-UHFFFAOYSA-N -1 3 360.776 3.426 20 0 FGADHM CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)NCc2ncccc2[O-])c1 ZINC000467914068 501904691 /nfs/dbraw/zinc/90/46/91/501904691.db2.gz MOZJJDHEULETQE-VWLOTQADSA-N -1 3 361.467 3.156 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)C1(Cc2cccc(F)c2)CCC1 ZINC000481884200 501909132 /nfs/dbraw/zinc/90/91/32/501909132.db2.gz VCBNPEFKLCGXDT-UHFFFAOYSA-N -1 3 351.385 3.357 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)C1(Cc2cccc(F)c2)CCC1 ZINC000481884200 501909136 /nfs/dbraw/zinc/90/91/36/501909136.db2.gz VCBNPEFKLCGXDT-UHFFFAOYSA-N -1 3 351.385 3.357 20 0 FGADHM Cc1ccc(-c2cc(-c3nc(CCn4nnc5ccccc54)no3)n[n-]2)o1 ZINC000460751216 501911388 /nfs/dbraw/zinc/91/13/88/501911388.db2.gz FUKLZJRWQGTRJD-UHFFFAOYSA-N -1 3 361.365 3.016 20 0 FGADHM Cc1ccc(-c2cc(-c3nc(CCn4nnc5ccccc54)no3)[n-]n2)o1 ZINC000460751216 501911393 /nfs/dbraw/zinc/91/13/93/501911393.db2.gz FUKLZJRWQGTRJD-UHFFFAOYSA-N -1 3 361.365 3.016 20 0 FGADHM O=C(CCc1ccc(Cl)c(Cl)c1)NCc1nnc(C(F)(F)F)[n-]1 ZINC000481931698 501922344 /nfs/dbraw/zinc/92/23/44/501922344.db2.gz KDOKTZMJQVIKRP-UHFFFAOYSA-N -1 3 367.158 3.379 20 0 FGADHM O=C(CCc1ccc(Cl)c(Cl)c1)NCc1n[n-]c(C(F)(F)F)n1 ZINC000481931698 501922348 /nfs/dbraw/zinc/92/23/48/501922348.db2.gz KDOKTZMJQVIKRP-UHFFFAOYSA-N -1 3 367.158 3.379 20 0 FGADHM O=C(CCc1ccc(Cl)c(Cl)c1)NCc1nc(C(F)(F)F)n[n-]1 ZINC000481931698 501922350 /nfs/dbraw/zinc/92/23/50/501922350.db2.gz KDOKTZMJQVIKRP-UHFFFAOYSA-N -1 3 367.158 3.379 20 0 FGADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(OCC(F)F)cc2)cc1 ZINC000481952331 501927029 /nfs/dbraw/zinc/92/70/29/501927029.db2.gz UGCBMDKZXZGUOJ-UHFFFAOYSA-N -1 3 370.377 3.090 20 0 FGADHM COC(=O)c1oc(CNCc2cccc([O-])c2Br)cc1C ZINC000602745328 506284028 /nfs/dbraw/zinc/28/40/28/506284028.db2.gz YSCXIRKSJFBHAY-UHFFFAOYSA-N -1 3 354.200 3.133 20 0 FGADHM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)c1cc2ccccc2s1 ZINC000474778903 501949499 /nfs/dbraw/zinc/94/94/99/501949499.db2.gz DPCKGTKWBXXAHA-UHFFFAOYSA-N -1 3 358.375 3.055 20 0 FGADHM Cc1nnnn1-c1cccc(NC(=O)c2cc3cc(Cl)sc3[n-]2)c1 ZINC000485817967 501949746 /nfs/dbraw/zinc/94/97/46/501949746.db2.gz QCZCPGFQTOENOC-UHFFFAOYSA-N -1 3 358.814 3.419 20 0 FGADHM CCc1ncc(S(=O)(=O)[N-]Cc2csc(-c3ccccc3)n2)s1 ZINC000460914096 501957610 /nfs/dbraw/zinc/95/76/10/501957610.db2.gz OYOUWQKTFUAGEM-UHFFFAOYSA-N -1 3 365.505 3.308 20 0 FGADHM CCc1ncc(S(=O)(=O)[N-][C@@H]2CC(C)(C)Oc3cc(F)ccc32)s1 ZINC000460912766 501958072 /nfs/dbraw/zinc/95/80/72/501958072.db2.gz NZQXCWBDDXCIMD-GFCCVEGCSA-N -1 3 370.471 3.425 20 0 FGADHM Cc1ccc2c(CC[N-]S(=O)(=O)c3ccc(F)cc3F)c[nH]c2c1 ZINC000485860198 501964537 /nfs/dbraw/zinc/96/45/37/501964537.db2.gz FBJFXVGDFRNKMI-UHFFFAOYSA-N -1 3 350.390 3.276 20 0 FGADHM CCc1ncc(S(=O)(=O)[N-][C@H](C)CCc2ccc(OC)cc2)s1 ZINC000460944389 501966262 /nfs/dbraw/zinc/96/62/62/501966262.db2.gz FFZZPWJNEOACBL-GFCCVEGCSA-N -1 3 354.497 3.014 20 0 FGADHM Cc1ccc2c(CC[N-]S(=O)(=O)c3cc(F)cc(F)c3)c[nH]c2c1 ZINC000485868280 501968064 /nfs/dbraw/zinc/96/80/64/501968064.db2.gz CGVASXHHZUXBFQ-UHFFFAOYSA-N -1 3 350.390 3.276 20 0 FGADHM CCc1ncc(S(=O)(=O)[N-]Cc2cccc(C(F)(F)F)c2)s1 ZINC000460951144 501968851 /nfs/dbraw/zinc/96/88/51/501968851.db2.gz UXZKBIZOBYNUDM-UHFFFAOYSA-N -1 3 350.387 3.203 20 0 FGADHM Cc1cc(CS(=O)(=O)[N-][C@@H](COc2ccccc2)c2ccccc2)on1 ZINC000485886012 501976604 /nfs/dbraw/zinc/97/66/04/501976604.db2.gz ZESSMHQTZNEGIP-IBGZPJMESA-N -1 3 372.446 3.223 20 0 FGADHM C[C@H]1CCC[C@@H](NC(=O)N=c2cc3ccc(Br)cn3[n-]2)C1 ZINC000482103337 501976819 /nfs/dbraw/zinc/97/68/19/501976819.db2.gz MPFFSJDKGOBTCD-CMPLNLGQSA-N -1 3 351.248 3.219 20 0 FGADHM Cc1cc(CS(=O)(=O)[N-]CCOc2ccccc2-c2ccccc2)on1 ZINC000485895625 501980397 /nfs/dbraw/zinc/98/03/97/501980397.db2.gz FWFIFGFTSCYEDD-UHFFFAOYSA-N -1 3 372.446 3.148 20 0 FGADHM COc1ccc2oc([C@H](C)[N-]S(=O)(=O)Cc3cc(C)no3)c(C)c2c1 ZINC000485908494 501984142 /nfs/dbraw/zinc/98/41/42/501984142.db2.gz OWQOUQHLTKDCLF-LBPRGKRZSA-N -1 3 364.423 3.227 20 0 FGADHM C[C@@H]1CCCCCN1C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482132091 501984216 /nfs/dbraw/zinc/98/42/16/501984216.db2.gz PXISVGWMUJZELS-LLVKDONJSA-N -1 3 351.248 3.315 20 0 FGADHM CCc1cc(C(=O)N[C@@H](CN2CCCC2=O)c2ccccc2)ccc1[O-] ZINC000485933793 501992390 /nfs/dbraw/zinc/99/23/90/501992390.db2.gz OXIBLFYWNHOQRR-SFHVURJKSA-N -1 3 352.434 3.048 20 0 FGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)NCC1CCCCC1 ZINC000482157172 501992705 /nfs/dbraw/zinc/99/27/05/501992705.db2.gz GJTCVQDOOLDHBM-UHFFFAOYSA-N -1 3 351.248 3.221 20 0 FGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)c2cccc3cccnc32)c1 ZINC000461032114 501994504 /nfs/dbraw/zinc/99/45/04/501994504.db2.gz YNAYARBPABKGNV-UHFFFAOYSA-N -1 3 355.419 3.167 20 0 FGADHM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)c1ccc(C2CCCC2)cc1 ZINC000464457927 501994975 /nfs/dbraw/zinc/99/49/75/501994975.db2.gz HBEBPFOSMNXIPC-UHFFFAOYSA-N -1 3 370.405 3.498 20 0 FGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000464468604 501997947 /nfs/dbraw/zinc/99/79/47/501997947.db2.gz BNHLTNMFMYHAFO-VXGBXAGGSA-N -1 3 359.311 3.026 20 0 FGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000464468604 501997953 /nfs/dbraw/zinc/99/79/53/501997953.db2.gz BNHLTNMFMYHAFO-VXGBXAGGSA-N -1 3 359.311 3.026 20 0 FGADHM Cc1ccc([C@@H]2CCCCCN2C(=O)CNC(=O)c2cccc([O-])c2)o1 ZINC000471374055 502002831 /nfs/dbraw/zinc/00/28/31/502002831.db2.gz WTGBGOCYVRQKRF-KRWDZBQOSA-N -1 3 356.422 3.167 20 0 FGADHM Cc1csc(-c2cccc(NC(=O)CNC(=O)c3cccc([O-])c3)c2)n1 ZINC000471378421 502004915 /nfs/dbraw/zinc/00/49/15/502004915.db2.gz TVZCKQXAODZCTA-UHFFFAOYSA-N -1 3 367.430 3.193 20 0 FGADHM C/C=C/c1ccc(NC(=O)Nc2ccc(C[C@@H]3NC(=O)[N-]C3=O)cc2)cc1 ZINC000478517410 502006804 /nfs/dbraw/zinc/00/68/04/502006804.db2.gz MGULSQXHSXVLPI-YATRRXNKSA-N -1 3 364.405 3.114 20 0 FGADHM COc1ccc(CNc2nc3cc(F)ccc3[nH]2)c(Br)c1[O-] ZINC000485976023 502009009 /nfs/dbraw/zinc/00/90/09/502009009.db2.gz JPBFDXOUUGQKLX-UHFFFAOYSA-N -1 3 366.190 3.213 20 0 FGADHM O=C(CNC(=O)c1cccc([O-])c1)N[C@H]1CCCC[C@H]1Cc1ccccc1 ZINC000471391320 502009040 /nfs/dbraw/zinc/00/90/40/502009040.db2.gz QLUNSRJUSCZCLK-PXNSSMCTSA-N -1 3 366.461 3.040 20 0 FGADHM C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000482213371 502009526 /nfs/dbraw/zinc/00/95/26/502009526.db2.gz RHGWVQCAYIFCOU-SNVBAGLBSA-N -1 3 370.375 3.205 20 0 FGADHM C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000482213371 502009533 /nfs/dbraw/zinc/00/95/33/502009533.db2.gz RHGWVQCAYIFCOU-SNVBAGLBSA-N -1 3 370.375 3.205 20 0 FGADHM C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000482213371 502009538 /nfs/dbraw/zinc/00/95/38/502009538.db2.gz RHGWVQCAYIFCOU-SNVBAGLBSA-N -1 3 370.375 3.205 20 0 FGADHM O=C(CNC(=O)c1cccc([O-])c1)NC(c1cccs1)c1cccs1 ZINC000471393943 502010016 /nfs/dbraw/zinc/01/00/16/502010016.db2.gz ZHANSSDIJNIWOO-UHFFFAOYSA-N -1 3 372.471 3.151 20 0 FGADHM C[C@H](c1cc2ccccc2o1)N(C)C(=O)CNC(=O)c1cccc([O-])c1 ZINC000471394970 502010142 /nfs/dbraw/zinc/01/01/42/502010142.db2.gz VERNEPYAMSRAFO-CYBMUJFWSA-N -1 3 352.390 3.088 20 0 FGADHM COC(=O)c1sc(NC(=O)c2cc(-c3ccco3)[n-]n2)nc1C(C)(C)C ZINC000478549300 502015487 /nfs/dbraw/zinc/01/54/87/502015487.db2.gz BLMKPLLTOMFMDM-UHFFFAOYSA-N -1 3 374.422 3.463 20 0 FGADHM COC(=O)c1sc(NC(=O)c2cc(-c3ccco3)n[n-]2)nc1C(C)(C)C ZINC000478549300 502015494 /nfs/dbraw/zinc/01/54/94/502015494.db2.gz BLMKPLLTOMFMDM-UHFFFAOYSA-N -1 3 374.422 3.463 20 0 FGADHM CC(C)[C@H](Sc1ccccc1)C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000482250168 502020306 /nfs/dbraw/zinc/02/03/06/502020306.db2.gz XWKAHIBIIYRJGD-LBPRGKRZSA-N -1 3 358.389 3.257 20 0 FGADHM CC(C)[C@H](Sc1ccccc1)C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000482250168 502020311 /nfs/dbraw/zinc/02/03/11/502020311.db2.gz XWKAHIBIIYRJGD-LBPRGKRZSA-N -1 3 358.389 3.257 20 0 FGADHM CC(C)[C@H](Sc1ccccc1)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000482250168 502020316 /nfs/dbraw/zinc/02/03/16/502020316.db2.gz XWKAHIBIIYRJGD-LBPRGKRZSA-N -1 3 358.389 3.257 20 0 FGADHM COc1cc(F)c([N-]C(=O)c2nccnc2NC(=O)C(C)(C)C)cc1F ZINC000468350529 502031871 /nfs/dbraw/zinc/03/18/71/502031871.db2.gz FGDAEVOFFSAEJF-UHFFFAOYSA-N -1 3 364.352 3.000 20 0 FGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1C[C@H](OC(C)C)C1(C)C ZINC000486071224 502037095 /nfs/dbraw/zinc/03/70/95/502037095.db2.gz RGCJETHMJVWZLM-GJZGRUSLSA-N -1 3 361.891 3.219 20 0 FGADHM C[C@]1(c2ccc(F)cc2)[N-]C(=O)N(Cc2c(F)cc(F)c(F)c2F)C1=O ZINC000461216644 502042092 /nfs/dbraw/zinc/04/20/92/502042092.db2.gz ZAECKOQORUUMGH-QGZVFWFLSA-N -1 3 370.277 3.349 20 0 FGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]Cc1nc2c(cccc2C)[nH]1 ZINC000486089624 502043372 /nfs/dbraw/zinc/04/33/72/502043372.db2.gz QDFTUWIKLPPVBW-UHFFFAOYSA-N -1 3 365.842 3.012 20 0 FGADHM Cc1cc(Br)cc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)c1 ZINC000486104505 502048062 /nfs/dbraw/zinc/04/80/62/502048062.db2.gz BKXDUUKGQVVWQU-UHFFFAOYSA-N -1 3 368.252 3.493 20 0 FGADHM Cc1nc(-c2ccc(CCNC(=O)NCc3ncccc3[O-])s2)cs1 ZINC000471521429 502054012 /nfs/dbraw/zinc/05/40/12/502054012.db2.gz GGOQNTXZVCDPKD-UHFFFAOYSA-N -1 3 374.491 3.323 20 0 FGADHM COCCC1(CNC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)CCC1 ZINC000471603287 502082939 /nfs/dbraw/zinc/08/29/39/502082939.db2.gz SEQFWPFTHQYTRY-UHFFFAOYSA-N -1 3 370.453 3.486 20 0 FGADHM O=C(CCCc1ccc([O-])c(F)c1)NCCCc1nc2ccccc2[nH]1 ZINC000468525776 502091961 /nfs/dbraw/zinc/09/19/61/502091961.db2.gz ZTBSITCXQYDVRE-UHFFFAOYSA-N -1 3 355.413 3.479 20 0 FGADHM O=C(CCSc1cccc(Cl)c1)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000486242824 502096138 /nfs/dbraw/zinc/09/61/38/502096138.db2.gz OPFLZGNMVMGYFD-UHFFFAOYSA-N -1 3 373.869 3.319 20 0 FGADHM O=C(CCSc1cccc(Cl)c1)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000486242824 502096141 /nfs/dbraw/zinc/09/61/41/502096141.db2.gz OPFLZGNMVMGYFD-UHFFFAOYSA-N -1 3 373.869 3.319 20 0 FGADHM COc1cccc([C@@H](CNC(=O)CCCc2ccc([O-])c(F)c2)N(C)C)c1 ZINC000468577391 502112761 /nfs/dbraw/zinc/11/27/61/502112761.db2.gz MFRPMFXAJZATSJ-LJQANCHMSA-N -1 3 374.456 3.282 20 0 FGADHM CCN(CC(C)C)C(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000471702028 502112972 /nfs/dbraw/zinc/11/29/72/502112972.db2.gz SKNNSNKPTRIMLQ-UHFFFAOYSA-N -1 3 366.405 3.195 20 0 FGADHM C/C=C\c1ccc(NC(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C)c2)cc1 ZINC000486343490 502128117 /nfs/dbraw/zinc/12/81/17/502128117.db2.gz JIDOYNPDWMVMAG-ARJAWSKDSA-N -1 3 363.414 3.411 20 0 FGADHM C[N-]S(=O)(=O)c1cc(NC(=O)N2CCC[C@@H](CC(C)C)C2)ccc1F ZINC000486345905 502128137 /nfs/dbraw/zinc/12/81/37/502128137.db2.gz NIFSLWKSBKALHY-ZDUSSCGKSA-N -1 3 371.478 3.024 20 0 FGADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)NCC1(c2ccccc2)CCCC1 ZINC000482668139 502146437 /nfs/dbraw/zinc/14/64/37/502146437.db2.gz VQTFXMSRRQYHDU-UHFFFAOYSA-N -1 3 367.375 3.135 20 0 FGADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)NCC1(c2ccccc2)CCCC1 ZINC000482668139 502146445 /nfs/dbraw/zinc/14/64/45/502146445.db2.gz VQTFXMSRRQYHDU-UHFFFAOYSA-N -1 3 367.375 3.135 20 0 FGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)NCC1(c2ccccc2)CCCC1 ZINC000482668139 502146452 /nfs/dbraw/zinc/14/64/52/502146452.db2.gz VQTFXMSRRQYHDU-UHFFFAOYSA-N -1 3 367.375 3.135 20 0 FGADHM C[C@@H](NC(=O)NCc1ncccc1[O-])c1nc(-c2ccccc2)cs1 ZINC000471848777 502152976 /nfs/dbraw/zinc/15/29/76/502152976.db2.gz IQJIINSPHJVSMP-GFCCVEGCSA-N -1 3 354.435 3.471 20 0 FGADHM Cn1c2cc([O-])c(NC(=O)c3cc(Cl)cc(Cl)c3)cc2n(C)c1=O ZINC000461626588 502158318 /nfs/dbraw/zinc/15/83/18/502158318.db2.gz ALIRJNILFVKOSC-UHFFFAOYSA-N -1 3 366.204 3.142 20 0 FGADHM CCc1cc(NC(=O)N2CCN(C(=O)c3cccc([O-])c3)CC2)ccc1F ZINC000486483632 502167175 /nfs/dbraw/zinc/16/71/75/502167175.db2.gz BMMJQDIMLZLMCY-UHFFFAOYSA-N -1 3 371.412 3.084 20 0 FGADHM O=C(Nc1ccccc1)Nc1cccc(CNC(=O)c2csc(=O)[n-]2)c1 ZINC000471947930 502180821 /nfs/dbraw/zinc/18/08/21/502180821.db2.gz IOIHFASBTPEKDA-UHFFFAOYSA-N -1 3 368.418 3.423 20 0 FGADHM CC(=O)c1cc(F)c([N-]S(=O)(=O)Cc2ccc(F)cc2)c(F)c1F ZINC000479165849 502181085 /nfs/dbraw/zinc/18/10/85/502181085.db2.gz TZTSRSKXFIGNHR-UHFFFAOYSA-N -1 3 361.316 3.388 20 0 FGADHM COc1ccc(CNC(=O)NCc2ncccc2[O-])c(OC2CCCC2)c1 ZINC000471995738 502194094 /nfs/dbraw/zinc/19/40/94/502194094.db2.gz PJJNNNARALTZKJ-UHFFFAOYSA-N -1 3 371.437 3.117 20 0 FGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H](C)Oc1cccc(C)c1 ZINC000486578203 502196572 /nfs/dbraw/zinc/19/65/72/502196572.db2.gz CGOPPFDRUVAOLK-CYBMUJFWSA-N -1 3 369.870 3.403 20 0 FGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H](C)Oc1ccccc1F ZINC000486584102 502198748 /nfs/dbraw/zinc/19/87/48/502198748.db2.gz UQXNDQZIIOKSNI-NSHDSACASA-N -1 3 373.833 3.234 20 0 FGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]C1CC(c2ccccc2)C1 ZINC000461792677 502203247 /nfs/dbraw/zinc/20/32/47/502203247.db2.gz YAMDOEQKEKTLRT-UHFFFAOYSA-N -1 3 365.476 3.068 20 0 FGADHM O=C(NCc1cc2ccccc2s1)NCc1nnc(C(F)(F)F)[n-]1 ZINC000482872219 502203758 /nfs/dbraw/zinc/20/37/58/502203758.db2.gz BJHZFQJXJKNFHY-UHFFFAOYSA-N -1 3 355.345 3.038 20 0 FGADHM O=C(NCc1cc2ccccc2s1)NCc1n[n-]c(C(F)(F)F)n1 ZINC000482872219 502203763 /nfs/dbraw/zinc/20/37/63/502203763.db2.gz BJHZFQJXJKNFHY-UHFFFAOYSA-N -1 3 355.345 3.038 20 0 FGADHM O=C(NCc1cc2ccccc2s1)NCc1nc(C(F)(F)F)n[n-]1 ZINC000482872219 502203769 /nfs/dbraw/zinc/20/37/69/502203769.db2.gz BJHZFQJXJKNFHY-UHFFFAOYSA-N -1 3 355.345 3.038 20 0 FGADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)N[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000482890504 502208560 /nfs/dbraw/zinc/20/85/60/502208560.db2.gz VYCHCSZNHABICR-QWHCGFSZSA-N -1 3 367.375 3.349 20 0 FGADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)N[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000482890504 502208566 /nfs/dbraw/zinc/20/85/66/502208566.db2.gz VYCHCSZNHABICR-QWHCGFSZSA-N -1 3 367.375 3.349 20 0 FGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000482890504 502208574 /nfs/dbraw/zinc/20/85/74/502208574.db2.gz VYCHCSZNHABICR-QWHCGFSZSA-N -1 3 367.375 3.349 20 0 FGADHM COc1cc(Cl)c(Cl)cc1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000486620046 502211258 /nfs/dbraw/zinc/21/12/58/502211258.db2.gz JKYPHNWOZONNCV-UHFFFAOYSA-N -1 3 364.192 3.434 20 0 FGADHM COc1cc(Cl)c(Cl)cc1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000486620046 502211262 /nfs/dbraw/zinc/21/12/62/502211262.db2.gz JKYPHNWOZONNCV-UHFFFAOYSA-N -1 3 364.192 3.434 20 0 FGADHM Cc1ccc([C@H](C[N-]S(=O)(=O)c2c(C)cccc2F)N(C)C)cc1 ZINC000475570003 502214702 /nfs/dbraw/zinc/21/47/02/502214702.db2.gz ICGWFDPUIBDNCZ-KRWDZBQOSA-N -1 3 350.459 3.024 20 0 FGADHM CCOc1ccccc1[C@@H](CC)NC(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000482937783 502220764 /nfs/dbraw/zinc/22/07/64/502220764.db2.gz PVHASMFGSNPDKO-LLVKDONJSA-N -1 3 371.363 3.173 20 0 FGADHM CCOc1ccccc1[C@@H](CC)NC(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000482937783 502220769 /nfs/dbraw/zinc/22/07/69/502220769.db2.gz PVHASMFGSNPDKO-LLVKDONJSA-N -1 3 371.363 3.173 20 0 FGADHM CCOc1ccccc1[C@@H](CC)NC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000482937783 502220774 /nfs/dbraw/zinc/22/07/74/502220774.db2.gz PVHASMFGSNPDKO-LLVKDONJSA-N -1 3 371.363 3.173 20 0 FGADHM O=S(=O)([N-][C@H]1CCCC(F)(F)C1)c1ccccc1Br ZINC000486701372 502236167 /nfs/dbraw/zinc/23/61/67/502236167.db2.gz SOUASGFVHGNNIO-VIFPVBQESA-N -1 3 354.216 3.305 20 0 FGADHM CCSc1ccc([C@H](C)NC(=O)NCc2nnc(C(F)(F)F)[n-]2)cc1 ZINC000483001361 502241244 /nfs/dbraw/zinc/24/12/44/502241244.db2.gz QSOXRMYCCCHEOJ-VIFPVBQESA-N -1 3 373.404 3.496 20 0 FGADHM CCSc1ccc([C@H](C)NC(=O)NCc2n[n-]c(C(F)(F)F)n2)cc1 ZINC000483001361 502241249 /nfs/dbraw/zinc/24/12/49/502241249.db2.gz QSOXRMYCCCHEOJ-VIFPVBQESA-N -1 3 373.404 3.496 20 0 FGADHM CCSc1ccc([C@H](C)NC(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000483001361 502241253 /nfs/dbraw/zinc/24/12/53/502241253.db2.gz QSOXRMYCCCHEOJ-VIFPVBQESA-N -1 3 373.404 3.496 20 0 FGADHM COc1nc(C)c(Br)cc1C(=O)Nc1cc(F)ccc1[O-] ZINC000486721855 502243856 /nfs/dbraw/zinc/24/38/56/502243856.db2.gz MURLPCDYRSDQRY-UHFFFAOYSA-N -1 3 355.163 3.258 20 0 FGADHM COCCOc1ccc(CNC(=O)CCCc2ccc([O-])c(F)c2)cc1 ZINC000468993448 502256258 /nfs/dbraw/zinc/25/62/58/502256258.db2.gz NLGZPDGWUAOLTL-UHFFFAOYSA-N -1 3 361.413 3.196 20 0 FGADHM CC1(C)Cc2cc([N-]S(=O)(=O)c3ccc4[nH]c(=O)ccc4c3)ccc2O1 ZINC000469024673 502267428 /nfs/dbraw/zinc/26/74/28/502267428.db2.gz QUDGUIQUVSVPAE-UHFFFAOYSA-N -1 3 370.430 3.042 20 0 FGADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)N[C@H]1CCC[C@H]1Cc1ccccc1 ZINC000483088388 502267768 /nfs/dbraw/zinc/26/77/68/502267768.db2.gz LEEPYROPYYHULD-STQMWFEESA-N -1 3 367.375 3.034 20 0 FGADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)N[C@H]1CCC[C@H]1Cc1ccccc1 ZINC000483088388 502267774 /nfs/dbraw/zinc/26/77/74/502267774.db2.gz LEEPYROPYYHULD-STQMWFEESA-N -1 3 367.375 3.034 20 0 FGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N[C@H]1CCC[C@H]1Cc1ccccc1 ZINC000483088388 502267781 /nfs/dbraw/zinc/26/77/81/502267781.db2.gz LEEPYROPYYHULD-STQMWFEESA-N -1 3 367.375 3.034 20 0 FGADHM CCC(O)(CC)CC[N-]S(=O)(=O)c1cc(Cl)c(OC)cc1Cl ZINC000472204614 502267923 /nfs/dbraw/zinc/26/79/23/502267923.db2.gz FNXDJSRGEDIWQY-UHFFFAOYSA-N -1 3 370.298 3.222 20 0 FGADHM COc1c(C(=O)[N-]c2nnc(-c3ccc(C)cc3C)s2)c(C)nn1C ZINC000486811228 502271577 /nfs/dbraw/zinc/27/15/77/502271577.db2.gz PCFRWEJWNLZLOZ-UHFFFAOYSA-N -1 3 357.439 3.125 20 0 FGADHM Cc1ncc(S(=O)(=O)[N-]Cc2nc(-c3ccccc3F)cs2)s1 ZINC000486822489 502275936 /nfs/dbraw/zinc/27/59/36/502275936.db2.gz JOTSUJNDWGHAGL-UHFFFAOYSA-N -1 3 369.468 3.193 20 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O=c1[n-]c(-c2cnc(NCC(F)F)cn2)nc2sc3ccccc3c21 ZINC000487501408 502461374 /nfs/dbraw/zinc/46/13/74/502461374.db2.gz LWQGPDXYPDUZSK-UHFFFAOYSA-N -1 3 359.361 3.106 20 0 FGADHM CC1(C)[C@H]([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)[C@@H]2CCCO[C@H]21 ZINC000462494522 502463252 /nfs/dbraw/zinc/46/32/52/502463252.db2.gz ATPYHCZQDATERX-BFHYXJOUSA-N -1 3 364.294 3.475 20 0 FGADHM CCOc1nc2ccc(C(=O)Nc3nnc(C(F)(F)F)s3)cc2[n-]1 ZINC000469566659 502466152 /nfs/dbraw/zinc/46/61/52/502466152.db2.gz HHIAGUSBVFJOPD-UHFFFAOYSA-N -1 3 357.317 3.084 20 0 FGADHM CCOc1nc2cc(C(=O)Nc3nnc(C(F)(F)F)s3)ccc2[n-]1 ZINC000469566659 502466156 /nfs/dbraw/zinc/46/61/56/502466156.db2.gz HHIAGUSBVFJOPD-UHFFFAOYSA-N -1 3 357.317 3.084 20 0 FGADHM Cc1cc(Cl)cc(NC(=O)C2CCC(NC(=O)C3CC3)CC2)c1[O-] ZINC000476454082 502492821 /nfs/dbraw/zinc/49/28/21/502492821.db2.gz VLYDKWBXTPDUFJ-UHFFFAOYSA-N -1 3 350.846 3.378 20 0 FGADHM Cc1nc(C)c(CC(=O)Nc2cc(Br)c(F)cc2C)c(=O)[n-]1 ZINC000476475934 502500067 /nfs/dbraw/zinc/50/00/67/502500067.db2.gz IVJCYDSDXZYGCA-UHFFFAOYSA-N -1 3 368.206 3.190 20 0 FGADHM Cc1cccc(F)c1S(=O)(=O)[N-][C@H]1CCCOc2c(F)cccc21 ZINC000476507339 502508043 /nfs/dbraw/zinc/50/80/43/502508043.db2.gz JCEVOMRHZIVSPV-HNNXBMFYSA-N -1 3 353.390 3.465 20 0 FGADHM C[C@H]1CCN(C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)CC12CCCCC2 ZINC000462645913 502520155 /nfs/dbraw/zinc/52/01/55/502520155.db2.gz HYDRMJQYPFXCHO-ZDUSSCGKSA-N -1 3 355.438 3.394 20 0 FGADHM CCCCN(CCCC)S(=O)(=O)[N-][C@@H](C)c1nc(C(C)(C)C)no1 ZINC000462653723 502523340 /nfs/dbraw/zinc/52/33/40/502523340.db2.gz FYGVCSMKWIZKFR-ZDUSSCGKSA-N -1 3 360.524 3.165 20 0 FGADHM C[C@H](O)C[C@H](C[N-]S(=O)(=O)c1ccc(Cl)s1)c1ccccc1 ZINC000469803642 502550349 /nfs/dbraw/zinc/55/03/49/502550349.db2.gz CKSVXXCWJBHFLB-WCQYABFASA-N -1 3 359.900 3.235 20 0 FGADHM COC(=O)CN(CCc1ccccc1)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000469818124 502556805 /nfs/dbraw/zinc/55/68/05/502556805.db2.gz HGLPWNMOQZZAFA-UHFFFAOYSA-N -1 3 373.424 3.098 20 0 FGADHM Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000484058752 502559494 /nfs/dbraw/zinc/55/94/94/502559494.db2.gz CDYFCNDHTGHVBB-UHFFFAOYSA-N -1 3 366.356 3.259 20 0 FGADHM Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000484058752 502559496 /nfs/dbraw/zinc/55/94/96/502559496.db2.gz CDYFCNDHTGHVBB-UHFFFAOYSA-N -1 3 366.356 3.259 20 0 FGADHM Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000484058752 502559499 /nfs/dbraw/zinc/55/94/99/502559499.db2.gz CDYFCNDHTGHVBB-UHFFFAOYSA-N -1 3 366.356 3.259 20 0 FGADHM O=C(c1cc([O-])ccc1C(F)(F)F)N1CCN(Cc2ccccc2)CC1 ZINC000473287110 502560440 /nfs/dbraw/zinc/56/04/40/502560440.db2.gz IXYDCBQSNLSVCZ-UHFFFAOYSA-N -1 3 364.367 3.369 20 0 FGADHM Cc1c2ccccc2n(C)c1C[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000480427944 502566757 /nfs/dbraw/zinc/56/67/57/502566757.db2.gz SWFIQUZGUVJUIN-UHFFFAOYSA-N -1 3 350.390 3.243 20 0 FGADHM CC(C)CC[C@@H]1CCCCN1C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000473418669 502590106 /nfs/dbraw/zinc/59/01/06/502590106.db2.gz PVFAOALPLFXJOQ-KRWDZBQOSA-N -1 3 352.500 3.489 20 0 FGADHM CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-][C@H]1CCCc2sccc21 ZINC000466512483 502593549 /nfs/dbraw/zinc/59/35/49/502593549.db2.gz DWOGBSVRADKZQN-NSHDSACASA-N -1 3 369.464 3.046 20 0 FGADHM COc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1cc(F)c(C)cc1F)CCO2 ZINC000466547131 502603894 /nfs/dbraw/zinc/60/38/94/502603894.db2.gz ZCRJPEHLODKCEQ-HNNXBMFYSA-N -1 3 369.389 3.084 20 0 FGADHM CCOC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(OC)cc2C)c1 ZINC000473485436 502607211 /nfs/dbraw/zinc/60/72/11/502607211.db2.gz ZDQFDPJBDLCGBT-UHFFFAOYSA-N -1 3 363.435 3.290 20 0 FGADHM O=C(Nc1cccc(-c2nnco2)c1)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000484249197 502607521 /nfs/dbraw/zinc/60/75/21/502607521.db2.gz AISXYGDGCIPAOY-UHFFFAOYSA-N -1 3 368.299 3.109 20 0 FGADHM O=C(Nc1cccc(-c2nnco2)c1)c1cnc2c(F)cc(F)cc2c1[O-] ZINC000484249197 502607527 /nfs/dbraw/zinc/60/75/27/502607527.db2.gz AISXYGDGCIPAOY-UHFFFAOYSA-N -1 3 368.299 3.109 20 0 FGADHM C[C@@H]1Cc2ccccc2N1Cc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000488041904 502609312 /nfs/dbraw/zinc/60/93/12/502609312.db2.gz JWCBFCIRZHNGFQ-CQSZACIVSA-N -1 3 357.417 3.472 20 0 FGADHM CCCOc1ccc(C(=O)Nc2nnc(OC)[n-]2)c(OC2CCCC2)c1 ZINC000480591783 502613464 /nfs/dbraw/zinc/61/34/64/502613464.db2.gz VOKAUTAGAXKHAG-UHFFFAOYSA-N -1 3 360.414 3.176 20 0 FGADHM CCCOc1ccc(C(=O)Nc2n[n-]c(OC)n2)c(OC2CCCC2)c1 ZINC000480591783 502613472 /nfs/dbraw/zinc/61/34/72/502613472.db2.gz VOKAUTAGAXKHAG-UHFFFAOYSA-N -1 3 360.414 3.176 20 0 FGADHM CCCOc1ccc(C(=O)Nc2nc(OC)n[n-]2)c(OC2CCCC2)c1 ZINC000480591783 502613481 /nfs/dbraw/zinc/61/34/81/502613481.db2.gz VOKAUTAGAXKHAG-UHFFFAOYSA-N -1 3 360.414 3.176 20 0 FGADHM O=S(=O)([N-]C1CC(c2ccccc2)C1)c1cncc(Br)c1 ZINC000476926618 502623711 /nfs/dbraw/zinc/62/37/11/502623711.db2.gz ABYGLSFSFLVPIN-UHFFFAOYSA-N -1 3 367.268 3.069 20 0 FGADHM Cc1cc(C)c2[n-]cc(C(=O)Nc3cn(C)nc3C(F)(F)F)c(=O)c2c1 ZINC000477054010 502663364 /nfs/dbraw/zinc/66/33/64/502663364.db2.gz APHODMCRPJVQLM-UHFFFAOYSA-N -1 3 364.327 3.150 20 0 FGADHM CC(C)Cn1ncc(C(=O)NCc2ncccc2[O-])c1-c1ccccc1 ZINC000473638183 502663728 /nfs/dbraw/zinc/66/37/28/502663728.db2.gz MDVFNPKDMSZWAI-UHFFFAOYSA-N -1 3 350.422 3.237 20 0 FGADHM Cc1ccc(F)c(S(=O)(=O)[N-]C[C@](C)(Cc2ccccc2)[C@@H](C)O)c1 ZINC000480774250 502667304 /nfs/dbraw/zinc/66/73/04/502667304.db2.gz YQCFGKDGNSNRPP-BEFAXECRSA-N -1 3 365.470 3.042 20 0 FGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)C1(CCOCc2ccccc2)CC1 ZINC000473650197 502667703 /nfs/dbraw/zinc/66/77/03/502667703.db2.gz QZYPMZWANDAIAL-UHFFFAOYSA-N -1 3 363.421 3.192 20 0 FGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)C1(CCOCc2ccccc2)CC1 ZINC000473650197 502667707 /nfs/dbraw/zinc/66/77/07/502667707.db2.gz QZYPMZWANDAIAL-UHFFFAOYSA-N -1 3 363.421 3.192 20 0 FGADHM COc1cc(C(=O)NCCCOc2c(C)cccc2C)cc(OC)c1[O-] ZINC000480792784 502672900 /nfs/dbraw/zinc/67/29/00/502672900.db2.gz OCHSHBOFXRNFQN-UHFFFAOYSA-N -1 3 359.422 3.225 20 0 FGADHM CC(C)OCc1cccc(NC(=O)NCc2nnc(C(F)(F)F)[n-]2)c1 ZINC000480813175 502677476 /nfs/dbraw/zinc/67/74/76/502677476.db2.gz OPRGRKHKODESOF-UHFFFAOYSA-N -1 3 357.336 3.070 20 0 FGADHM CC(C)OCc1cccc(NC(=O)NCc2n[n-]c(C(F)(F)F)n2)c1 ZINC000480813175 502677480 /nfs/dbraw/zinc/67/74/80/502677480.db2.gz OPRGRKHKODESOF-UHFFFAOYSA-N -1 3 357.336 3.070 20 0 FGADHM CC(C)OCc1cccc(NC(=O)NCc2nc(C(F)(F)F)n[n-]2)c1 ZINC000480813175 502677484 /nfs/dbraw/zinc/67/74/84/502677484.db2.gz OPRGRKHKODESOF-UHFFFAOYSA-N -1 3 357.336 3.070 20 0 FGADHM CO[C@]1(C)C[C@@H]([N-]S(=O)(=O)c2cccc(Cl)c2Cl)C1(C)C ZINC000466876366 502710364 /nfs/dbraw/zinc/71/03/64/502710364.db2.gz FKEOPZVUFMJBLD-BXUZGUMPSA-N -1 3 352.283 3.475 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(N[C@H](C)c3nncn3C)cc2)cc1 ZINC000488430292 502712528 /nfs/dbraw/zinc/71/25/28/502712528.db2.gz LDGVXSZOUMFTCM-CQSZACIVSA-N -1 3 371.466 3.097 20 0 FGADHM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(F)c(-c2nc[nH]n2)c1 ZINC000470242482 502714188 /nfs/dbraw/zinc/71/41/88/502714188.db2.gz GKGRGRRMFIENNX-UHFFFAOYSA-N -1 3 366.805 3.373 20 0 FGADHM CC(C)CCC1CCN(C(=O)c2ccc([N-]S(C)(=O)=O)cc2)CC1 ZINC000470249070 502716681 /nfs/dbraw/zinc/71/66/81/502716681.db2.gz TZMQNORWNSXFLZ-UHFFFAOYSA-N -1 3 352.500 3.347 20 0 FGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]Cc2nc3cc(C)ccc3[nH]2)c1 ZINC000466906749 502721443 /nfs/dbraw/zinc/72/14/43/502721443.db2.gz RUVFIZNSCCFTSQ-UHFFFAOYSA-N -1 3 365.842 3.012 20 0 FGADHM COc1ccc(NC(=O)Cc2ccc(Br)cc2[O-])cc1F ZINC000477271428 502725654 /nfs/dbraw/zinc/72/56/54/502725654.db2.gz BVTSEDXFXJLPQV-UHFFFAOYSA-N -1 3 354.175 3.484 20 0 FGADHM COc1ccc([C@@H](C)CC[N-]S(=O)(=O)c2ccc(OC)cc2F)cc1 ZINC000481060442 502744252 /nfs/dbraw/zinc/74/42/52/502744252.db2.gz NIXMSMPZRWEOMX-ZDUSSCGKSA-N -1 3 367.442 3.315 20 0 FGADHM O=S(=O)([N-][C@@H]1CCN2CCCC[C@@H]12)c1ccc(Cl)c(F)c1Cl ZINC000473907615 502745306 /nfs/dbraw/zinc/74/53/06/502745306.db2.gz BWWVCYIDVWZIMY-MNOVXSKESA-N -1 3 367.273 3.038 20 0 FGADHM CCCN1CCC([N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)CC1 ZINC000473912167 502746110 /nfs/dbraw/zinc/74/61/10/502746110.db2.gz DDBZKDKSEPQXBJ-UHFFFAOYSA-N -1 3 369.289 3.285 20 0 FGADHM CCCCC[C@H]1CCCN1C(=O)Nc1ccc(C[C@@H]2NC(=O)[N-]C2=O)cc1 ZINC000481095532 502752686 /nfs/dbraw/zinc/75/26/86/502752686.db2.gz XPWOUZCLRBWYMY-IRXDYDNUSA-N -1 3 372.469 3.014 20 0 FGADHM CCc1cc(Br)ccc1[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000477418493 502768915 /nfs/dbraw/zinc/76/89/15/502768915.db2.gz IYKNHIOEEVICNG-ZDUSSCGKSA-N -1 3 362.289 3.322 20 0 FGADHM CCc1ccccc1S(=O)(=O)[N-]c1ccccc1N1CCN(CC)CC1 ZINC000488639880 502771055 /nfs/dbraw/zinc/77/10/55/502771055.db2.gz HKLIWLZIFRVQCL-UHFFFAOYSA-N -1 3 373.522 3.192 20 0 FGADHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)Nc1ccc(C2CCC2)cc1 ZINC000488651952 502774578 /nfs/dbraw/zinc/77/45/78/502774578.db2.gz BEHFABKOBKNCOX-UHFFFAOYSA-N -1 3 363.417 3.398 20 0 FGADHM CC(=O)c1cc(F)c([N-]S(=O)(=O)c2sc(C)nc2C)c(F)c1F ZINC000463375584 502775376 /nfs/dbraw/zinc/77/53/76/502775376.db2.gz LWCAPWHMBIGMEA-UHFFFAOYSA-N -1 3 364.370 3.181 20 0 FGADHM CCCC[C@H]([N-]S(=O)(=O)CCc1cccs1)C(=O)OC(C)(C)C ZINC000477478734 502784026 /nfs/dbraw/zinc/78/40/26/502784026.db2.gz 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502817107 /nfs/dbraw/zinc/81/71/07/502817107.db2.gz AXYXPJMDHLOCNN-UHFFFAOYSA-N -1 3 358.361 3.357 20 0 FGADHM Cn1nc2ccccc2c1C(=O)Nc1nc(-c2cc3ccccc3o2)n[n-]1 ZINC000485118207 502817108 /nfs/dbraw/zinc/81/71/08/502817108.db2.gz AXYXPJMDHLOCNN-UHFFFAOYSA-N -1 3 358.361 3.357 20 0 FGADHM Cn1nc2ccccc2c1C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000485118207 502817109 /nfs/dbraw/zinc/81/71/09/502817109.db2.gz AXYXPJMDHLOCNN-UHFFFAOYSA-N -1 3 358.361 3.357 20 0 FGADHM COC(=O)C[C@H](NC(=O)Cc1ccc([O-])cc1Cl)c1ccc(F)cc1 ZINC000509091670 502819477 /nfs/dbraw/zinc/81/94/77/502819477.db2.gz BLNPNCYFKIKZHS-INIZCTEOSA-N -1 3 365.788 3.148 20 0 FGADHM CN(Cc1c(F)ccc([O-])c1F)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000509094807 502820298 /nfs/dbraw/zinc/82/02/98/502820298.db2.gz LWVXLEPUCCQJPA-ZDUSSCGKSA-N -1 3 373.808 3.284 20 0 FGADHM CO[C@H](C)CS(=O)(=O)[N-]c1ccc(F)c(NC(=O)C2CCCCC2)c1 ZINC000509102936 502821443 /nfs/dbraw/zinc/82/14/43/502821443.db2.gz LFSHZHRLSMZXST-GFCCVEGCSA-N -1 3 372.462 3.121 20 0 FGADHM 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/nfs/dbraw/zinc/03/41/64/504034164.db2.gz BCEXAKPMCFAHIG-MRXNPFEDSA-N -1 3 366.421 3.250 20 0 FGADHM Cn1c(C(=O)Nc2nnc(-c3c(F)cccc3F)[n-]2)cc2ccccc21 ZINC000530639888 504036498 /nfs/dbraw/zinc/03/64/98/504036498.db2.gz QJHUFPVOSIHKNB-UHFFFAOYSA-N -1 3 353.332 3.494 20 0 FGADHM Cn1c(C(=O)Nc2nc(-c3c(F)cccc3F)n[n-]2)cc2ccccc21 ZINC000530639888 504036501 /nfs/dbraw/zinc/03/65/01/504036501.db2.gz QJHUFPVOSIHKNB-UHFFFAOYSA-N -1 3 353.332 3.494 20 0 FGADHM Cn1c(C(=O)Nc2n[n-]c(-c3c(F)cccc3F)n2)cc2ccccc21 ZINC000530639888 504036505 /nfs/dbraw/zinc/03/65/05/504036505.db2.gz QJHUFPVOSIHKNB-UHFFFAOYSA-N -1 3 353.332 3.494 20 0 FGADHM CC(C)c1cccc(N(C)C(=O)CC[N-]S(=O)(=O)c2cccs2)c1 ZINC000518680716 504040558 /nfs/dbraw/zinc/04/05/58/504040558.db2.gz KMGAQLKWYXRMEU-UHFFFAOYSA-N -1 3 366.508 3.203 20 0 FGADHM CCOC(=O)c1ccc(NC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)c([O-])c1 ZINC000537822724 504054800 /nfs/dbraw/zinc/05/48/00/504054800.db2.gz IRIZDKUOSOIJRX-INIZCTEOSA-N -1 3 361.781 3.165 20 0 FGADHM 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/nfs/dbraw/zinc/08/26/19/504082619.db2.gz KCFRKEFRRZZRBI-UHFFFAOYSA-N -1 3 371.466 3.203 20 0 FGADHM COC(=O)[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(Br)cc1[O-] ZINC000547380536 504084250 /nfs/dbraw/zinc/08/42/50/504084250.db2.gz SLHMDHSJIWSVEA-QWRGUYRKSA-N -1 3 356.216 3.073 20 0 FGADHM COc1ccc([C@H](OC)[C@H](C)NC(=O)c2c[n-]c3ccccc3c2=O)cc1 ZINC000537965100 504097493 /nfs/dbraw/zinc/09/74/93/504097493.db2.gz UGZKAZQQJQROJG-RNODOKPDSA-N -1 3 366.417 3.043 20 0 FGADHM CC(C)C[C@@H](C)Cc1nc(-c2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)no1 ZINC000544378100 504108269 /nfs/dbraw/zinc/10/82/69/504108269.db2.gz XJVHVBVCFARUHJ-CWTRNNRKSA-N -1 3 356.426 3.016 20 0 FGADHM CN(C)[C@@H](C[N-]S(=O)(=O)c1ccc(F)c(F)c1)c1ccc(Cl)cc1 ZINC000530857288 504110346 /nfs/dbraw/zinc/11/03/46/504110346.db2.gz UKFNWJBMFZYKSK-INIZCTEOSA-N -1 3 374.840 3.199 20 0 FGADHM COc1ccc(-c2nsc([N-]C(=O)c3sc4nccn4c3C)n2)cc1 ZINC000534329734 504111925 /nfs/dbraw/zinc/11/19/25/504111925.db2.gz RIRPRXDBDPZZGM-UHFFFAOYSA-N -1 3 371.447 3.484 20 0 FGADHM CC[C@](C)([N-]S(=O)(=O)c1cc(C(=O)OC)cc(C)c1C)C(F)(F)F ZINC000547496640 504127006 /nfs/dbraw/zinc/12/70/06/504127006.db2.gz KMFGQZPQZZKDIX-AWEZNQCLSA-N -1 3 367.389 3.099 20 0 FGADHM COc1cccc(OC(F)(F)F)c1S(=O)(=O)[N-]C1CCCCC1 ZINC000528285867 504148010 /nfs/dbraw/zinc/14/80/10/504148010.db2.gz HEIWOXCGBPZTMH-UHFFFAOYSA-N -1 3 353.362 3.205 20 0 FGADHM CN1C(=O)CCc2cc(NC(=O)c3ccc4c(c3[O-])CCCC4)ccc21 ZINC000544491856 504152647 /nfs/dbraw/zinc/15/26/47/504152647.db2.gz XMYPTQZECULQNS-UHFFFAOYSA-N -1 3 350.418 3.432 20 0 FGADHM CC[C@@H]1CN(C(=O)Cc2c(C)nc(C)[n-]c2=O)c2cccc(Cl)c2O1 ZINC000541510551 504155491 /nfs/dbraw/zinc/15/54/91/504155491.db2.gz QLDVVOFTELWZJY-GFCCVEGCSA-N -1 3 361.829 3.199 20 0 FGADHM CCc1nc(CCNC(=O)c2cc([O-])cc(Br)c2)cs1 ZINC000528357487 504185706 /nfs/dbraw/zinc/18/57/06/504185706.db2.gz HHHPTUHQIWGWSC-UHFFFAOYSA-N -1 3 355.257 3.146 20 0 FGADHM C[C@@]1(CO)CCC[C@H]1[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000534634582 504197029 /nfs/dbraw/zinc/19/70/29/504197029.db2.gz OVBPJGDPPPYXLT-HIFRSBDPSA-N -1 3 359.900 3.384 20 0 FGADHM C[C@H]1C[C@@H]1c1ccc(C[N-]S(=O)(=O)c2cnc(-c3ccccc3)nc2)o1 ZINC000547715961 504197508 /nfs/dbraw/zinc/19/75/08/504197508.db2.gz HOKNDIMNWOZFMM-GUYCJALGSA-N -1 3 369.446 3.339 20 0 FGADHM Cc1cc(CS(=O)(=O)[N-][C@@H](c2ccc(F)cc2)C2CCCC2)on1 ZINC000531144169 504205698 /nfs/dbraw/zinc/20/56/98/504205698.db2.gz UKQGAULVHMDFHJ-QGZVFWFLSA-N -1 3 352.431 3.473 20 0 FGADHM Cc1csc([C@@H]([N-]S(=O)(=O)CC2Cc3ccccc3C2)C2CC2)n1 ZINC000519411511 504215372 /nfs/dbraw/zinc/21/53/72/504215372.db2.gz JTWZYPYAJIUCJR-KRWDZBQOSA-N -1 3 362.520 3.237 20 0 FGADHM Cc1cc(Cl)cc(NC(=O)c2ccc3c(c2)NC(=O)[C@H](C)N3C)c1[O-] ZINC000531177200 504215480 /nfs/dbraw/zinc/21/54/80/504215480.db2.gz PYHCYZHKJMCUGZ-JTQLQIEISA-N -1 3 359.813 3.383 20 0 FGADHM O=C(Nc1cc(F)ccc1OCC(F)(F)F)c1cc(=O)[n-]c(C2CC2)n1 ZINC000519420628 504216561 /nfs/dbraw/zinc/21/65/61/504216561.db2.gz LFBLPBMRHWCOPV-UHFFFAOYSA-N -1 3 371.290 3.392 20 0 FGADHM Cc1nc(C)c(S(=O)(=O)[N-]C[C@@H]2SCCc3ccccc32)s1 ZINC000531194093 504222591 /nfs/dbraw/zinc/22/25/91/504222591.db2.gz FOGOVGGTZPMGJT-AWEZNQCLSA-N -1 3 354.522 3.069 20 0 FGADHM O=C(N1CCc2c(=O)[n-]cnc2C1)C1(c2cccc(Cl)c2)CCCC1 ZINC000519471559 504227845 /nfs/dbraw/zinc/22/78/45/504227845.db2.gz MORHDUAUGZNRBE-UHFFFAOYSA-N -1 3 357.841 3.232 20 0 FGADHM CO[C@@](C)(C[N-]S(=O)(=O)c1ccc(-c2csc(C)n2)s1)C1CC1 ZINC000519496346 504234135 /nfs/dbraw/zinc/23/41/35/504234135.db2.gz HXNJNWUROADCIC-HNNXBMFYSA-N -1 3 372.537 3.273 20 0 FGADHM COc1cc(=NC(=O)c2ccccc2Nc2cccc(C)c2C)[n-]n1C ZINC000547815053 504234542 /nfs/dbraw/zinc/23/45/42/504234542.db2.gz KSSIWMLGXMTHCR-UHFFFAOYSA-N -1 3 350.422 3.463 20 0 FGADHM CCCN(C(=O)Cc1c(C)nc(C)[n-]c1=O)[C@H]1CCCc2cccnc21 ZINC000547817679 504236106 /nfs/dbraw/zinc/23/61/06/504236106.db2.gz QWGBPNYWNZBPDU-KRWDZBQOSA-N -1 3 354.454 3.053 20 0 FGADHM COc1cc(=NC(=O)N[C@H](Cc2ccccc2)c2sccc2C)[n-]n1C ZINC000547839896 504244443 /nfs/dbraw/zinc/24/44/43/504244443.db2.gz HWEYYYHGWFNBAJ-OAHLLOKOSA-N -1 3 370.478 3.326 20 0 FGADHM CC(C)(C)c1cc(CS(=O)(=O)[N-][C@H](c2ccccn2)C2CCC2)no1 ZINC000528505758 504251270 /nfs/dbraw/zinc/25/12/70/504251270.db2.gz YCLZVEYZVYLJDU-KRWDZBQOSA-N -1 3 363.483 3.328 20 0 FGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@H]2[C@@H](C)[C@H](C)O[C@H]2C)cc1Cl ZINC000528545408 504267806 /nfs/dbraw/zinc/26/78/06/504267806.db2.gz CYNSOFRQOQXCTO-FMCOEWMSSA-N -1 3 368.282 3.092 20 0 FGADHM COc1ccc(S(=O)(=O)[N-][C@@H]2[C@H]3Cc4c(cccc4Cl)[C@@H]23)c(F)c1 ZINC000528554873 504270817 /nfs/dbraw/zinc/27/08/17/504270817.db2.gz LIIUDXXLVBLDIZ-JCURWCKSSA-N -1 3 367.829 3.104 20 0 FGADHM Cc1ccc2c(c1)[C@H]([N-]S(=O)(=O)c1cccc3c(C)ccnc31)CO2 ZINC000547965985 504276609 /nfs/dbraw/zinc/27/66/09/504276609.db2.gz JKYMXNXAMFXXNC-MRXNPFEDSA-N -1 3 354.431 3.264 20 0 FGADHM CC[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(C(=O)OC)c(Cl)c1 ZINC000544848262 504279274 /nfs/dbraw/zinc/27/92/74/504279274.db2.gz OFZNNTFWXPJNAS-QMMMGPOBSA-N -1 3 373.780 3.136 20 0 FGADHM CCCCn1ncc([N-]S(=O)(=O)CCCOCc2ccccc2)c1C ZINC000519641944 504286573 /nfs/dbraw/zinc/28/65/73/504286573.db2.gz GIZLABVESAWTDF-UHFFFAOYSA-N -1 3 365.499 3.340 20 0 FGADHM O=S(=O)([N-]CCOc1ccc(F)cc1F)c1cc(F)ccc1Cl ZINC000531380328 504287043 /nfs/dbraw/zinc/28/70/43/504287043.db2.gz GDOLQYNYYLSEET-UHFFFAOYSA-N -1 3 365.760 3.115 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)Cc1cc(C)no1)c1nc(C(F)(F)F)cs1 ZINC000531383061 504288921 /nfs/dbraw/zinc/28/89/21/504288921.db2.gz YBQLTWHQQFEJTE-VIFPVBQESA-N -1 3 369.390 3.029 20 0 FGADHM Cc1noc(C)c1C[C@@H](C)NC(=O)c1cc([O-])cc(Br)c1 ZINC000528625192 504299401 /nfs/dbraw/zinc/29/94/01/504299401.db2.gz LZIOBJMLGVAUSC-MRVPVSSYSA-N -1 3 353.216 3.121 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N[C@@H]3CCO[C@@H](CC(C)C)C3)c[n-]c12 ZINC000538615752 504304731 /nfs/dbraw/zinc/30/47/31/504304731.db2.gz XNUHNOFFZAMGMQ-CABCVRRESA-N -1 3 360.429 3.299 20 0 FGADHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)N[C@@H](c1ccccc1)C(F)(F)F ZINC000548067136 504317706 /nfs/dbraw/zinc/31/77/06/504317706.db2.gz KEEQZPMNSDUJME-OCCSQVGLSA-N -1 3 354.332 3.108 20 0 FGADHM C[C@@H](CCc1cccn1C)NC(=O)c1cc([O-])cc(Br)c1 ZINC000528670934 504323564 /nfs/dbraw/zinc/32/35/64/504323564.db2.gz SLMUQZZZUVKNED-NSHDSACASA-N -1 3 351.244 3.244 20 0 FGADHM Cc1nc(C)c(CCC(=O)N2CCCC[C@@H]2Cc2ccc(F)cc2)c(=O)[n-]1 ZINC000531491660 504327502 /nfs/dbraw/zinc/32/75/02/504327502.db2.gz HKLCBOUUBAOHIW-GOSISDBHSA-N -1 3 371.456 3.495 20 0 FGADHM CCCCCc1ccc(C(=O)CCC(=O)N=c2cc(OC)n(C)[n-]2)cc1 ZINC000548145499 504346238 /nfs/dbraw/zinc/34/62/38/504346238.db2.gz ALKNKPSTBMKRDD-UHFFFAOYSA-N -1 3 357.454 3.185 20 0 FGADHM O=C([O-])[C@H](Cn1ccc(C(F)(F)F)n1)NCc1ccc(C(F)F)cc1 ZINC000519808369 504347884 /nfs/dbraw/zinc/34/78/84/504347884.db2.gz DZGKFOMXQOPOLB-NSHDSACASA-N -1 3 363.286 3.083 20 0 FGADHM CC[C@H](NC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1)[C@H]1CCCO1 ZINC000535124641 504348059 /nfs/dbraw/zinc/34/80/59/504348059.db2.gz GKZWYADORXNWKM-DOTOQJQBSA-N -1 3 356.426 3.237 20 0 FGADHM COc1cc(=NC(=O)N2CCCCC[C@H]2/C=C/c2cccs2)[n-]n1C ZINC000548166711 504356198 /nfs/dbraw/zinc/35/61/98/504356198.db2.gz IHTQMEGAFGVQAB-HBWSCVEGSA-N -1 3 360.483 3.402 20 0 FGADHM CCN(C(=O)c1cc(=O)[n-]c(C2CC2)n1)[C@H](C)Cc1ccc(OC)cc1 ZINC000519832975 504357563 /nfs/dbraw/zinc/35/75/63/504357563.db2.gz KNVZQFXKUVTVQT-CYBMUJFWSA-N -1 3 355.438 3.162 20 0 FGADHM CC1(C)CCC[C@@H](C(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)C1 ZINC000535159529 504359003 /nfs/dbraw/zinc/35/90/03/504359003.db2.gz CPJIKUIYZPEVEG-GFCCVEGCSA-N -1 3 368.474 3.421 20 0 FGADHM Cc1ccc([C@@H](C[N-]S(=O)(=O)c2ccc(Cl)cc2F)N(C)C)cc1 ZINC000519871320 504371901 /nfs/dbraw/zinc/37/19/01/504371901.db2.gz ZYSVMUKAMUKSGX-MRXNPFEDSA-N -1 3 370.877 3.369 20 0 FGADHM COc1c(Br)cccc1CN=c1[n-]ncn1Cc1ccccc1 ZINC000548288736 504388166 /nfs/dbraw/zinc/38/81/66/504388166.db2.gz BLOVEBUCCMFVOH-UHFFFAOYSA-N -1 3 373.254 3.132 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(NCc3ccc(OC)cc3C)nc2)n1 ZINC000531706523 504398451 /nfs/dbraw/zinc/39/84/51/504398451.db2.gz YYPVAGPMTVTGDQ-UHFFFAOYSA-N -1 3 350.422 3.158 20 0 FGADHM Cc1cccc(-c2cccc(CNC(=O)NCc3cnc(C)[n-]c3=O)c2)c1 ZINC000542253278 504425063 /nfs/dbraw/zinc/42/50/63/504425063.db2.gz LNMGHKHOLMCNOO-UHFFFAOYSA-N -1 3 362.433 3.465 20 0 FGADHM Cc1ncc(CNC(=O)N[C@@H](C)c2ccccc2C(F)(F)F)c(=O)[n-]1 ZINC000542266366 504430904 /nfs/dbraw/zinc/43/09/04/504430904.db2.gz XATBURQMAPNOTB-VIFPVBQESA-N -1 3 354.332 3.070 20 0 FGADHM CC[C@@H]([N-]S(=O)(=O)c1cccc(Br)c1F)c1ccncc1 ZINC000542314587 504447649 /nfs/dbraw/zinc/44/76/49/504447649.db2.gz MMNGYYAVUKDJDT-GFCCVEGCSA-N -1 3 373.247 3.413 20 0 FGADHM Cc1nc(-c2ccc(NC(=O)N[C@@H]3[C@H](C)O[C@H](C)[C@H]3C)cc2)cc(=O)[n-]1 ZINC000528915504 504448012 /nfs/dbraw/zinc/44/80/12/504448012.db2.gz HQANUOADJMNPMV-PAUBSPINSA-N -1 3 356.426 3.091 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]Cc2ccc3c(c2)CCO3)c(Cl)cc1F ZINC000531863460 504449798 /nfs/dbraw/zinc/44/97/98/504449798.db2.gz AETPOALQMORFPG-UHFFFAOYSA-N -1 3 355.818 3.201 20 0 FGADHM 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O=S(=O)([N-]Cc1cccc(COc2ccccc2)c1)c1ccccn1 ZINC000559657062 504907017 /nfs/dbraw/zinc/90/70/17/504907017.db2.gz VRKFOAZCQNWEPF-UHFFFAOYSA-N -1 3 354.431 3.139 20 0 FGADHM CCOc1cc(CN2CCOC3(CCOCC3)CC2)cc(Cl)c1[O-] ZINC000562685618 504908747 /nfs/dbraw/zinc/90/87/47/504908747.db2.gz RQXCVHLNYPEMQR-UHFFFAOYSA-N -1 3 355.862 3.216 20 0 FGADHM CC(C)n1cnc(S(=O)(=O)[N-][C@H]2CC[C@H](c3cccc(F)c3)C2)c1 ZINC000565515697 504909178 /nfs/dbraw/zinc/90/91/78/504909178.db2.gz WZVRKEBDAOVXTC-HOCLYGCPSA-N -1 3 351.447 3.218 20 0 FGADHM O=S(=O)([N-]CCc1cnc(C2CC2)nc1)c1ccc(Cl)c(Cl)c1 ZINC000549865124 504921460 /nfs/dbraw/zinc/92/14/60/504921460.db2.gz SQTZJSZXAGLMCN-UHFFFAOYSA-N -1 3 372.277 3.182 20 0 FGADHM O=C(c1c[n-]c2ccc(Br)cc2c1=O)N1CC[C@H](C2CC2)C1 ZINC000559831520 504933941 /nfs/dbraw/zinc/93/39/41/504933941.db2.gz BVAWQQUGQDUZQS-NSHDSACASA-N -1 3 361.239 3.163 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N(C)Cc3cc(C(C)(C)C)n[nH]3)c[n-]c12 ZINC000553546440 504945744 /nfs/dbraw/zinc/94/57/44/504945744.db2.gz SHBURLPNTBVXRJ-UHFFFAOYSA-N -1 3 370.428 3.268 20 0 FGADHM O=c1cc(C[S@](=O)Cc2ncc(Cl)cc2Cl)nc(C2CC2)[n-]1 ZINC000562792219 504947543 /nfs/dbraw/zinc/94/75/43/504947543.db2.gz XXQRGEBMBMWBJW-QFIPXVFZSA-N -1 3 358.250 3.210 20 0 FGADHM CCc1ccc(NC(=O)c2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)cc1Cl ZINC000553566463 504949974 /nfs/dbraw/zinc/94/99/74/504949974.db2.gz HJWFSIKYBGZJID-LJQANCHMSA-N -1 3 371.824 3.209 20 0 FGADHM C[C@@H]1Oc2cc(F)ccc2[C@H]1[N-]S(=O)(=O)c1c[nH]c2cccc(F)c21 ZINC000553566980 504950793 /nfs/dbraw/zinc/95/07/93/504950793.db2.gz XLHGUTUNTIBTKP-XYZCENFISA-N -1 3 364.373 3.247 20 0 FGADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@H]2CCCSC2)s1 ZINC000553571667 504952394 /nfs/dbraw/zinc/95/23/94/504952394.db2.gz MZUPHJCGCOOVMS-SECBINFHSA-N -1 3 370.359 3.241 20 0 FGADHM O=C(Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)[C@H]1CC2CCC1CC2 ZINC000559972083 504961427 /nfs/dbraw/zinc/96/14/27/504961427.db2.gz FVOOWSNPLMAJOD-QOZQQMKHSA-N -1 3 366.458 3.031 20 0 FGADHM O=S(=O)([N-]Cc1ccn(Cc2ccccc2)n1)c1ccc(Cl)s1 ZINC000560018485 504971502 /nfs/dbraw/zinc/97/15/02/504971502.db2.gz BYFFASAQKIXGGT-UHFFFAOYSA-N -1 3 367.883 3.125 20 0 FGADHM CCn1cc(S(=O)(=O)[N-]C23CCC(C(F)(F)F)(CC2)CC3)nc1C ZINC000556802907 504978651 /nfs/dbraw/zinc/97/86/51/504978651.db2.gz OHVDOTBQOUHVCF-UHFFFAOYSA-N -1 3 365.421 3.145 20 0 FGADHM O=C(Nc1nnc(-c2ccco2)[n-]1)c1ccn(-c2ccc(Cl)cc2)n1 ZINC000550154953 504980126 /nfs/dbraw/zinc/98/01/26/504980126.db2.gz TUUZGPFOUVAVJE-UHFFFAOYSA-N -1 3 354.757 3.156 20 0 FGADHM O=C(Nc1nc(-c2ccco2)n[n-]1)c1ccn(-c2ccc(Cl)cc2)n1 ZINC000550154953 504980128 /nfs/dbraw/zinc/98/01/28/504980128.db2.gz TUUZGPFOUVAVJE-UHFFFAOYSA-N -1 3 354.757 3.156 20 0 FGADHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1ccn(-c2ccc(Cl)cc2)n1 ZINC000550154953 504980129 /nfs/dbraw/zinc/98/01/29/504980129.db2.gz TUUZGPFOUVAVJE-UHFFFAOYSA-N -1 3 354.757 3.156 20 0 FGADHM C[C@H]1CCN(CC(=O)NCC2(c3ccccc3)CCCCC2)C[C@@H]1C(=O)[O-] ZINC000565774871 504983604 /nfs/dbraw/zinc/98/36/04/504983604.db2.gz VUSKSTQPIKXZAO-HKUYNNGSSA-N -1 3 372.509 3.047 20 0 FGADHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1ccc(-c2cccc3cccnc32)cc1 ZINC000556834783 504988931 /nfs/dbraw/zinc/98/89/31/504988931.db2.gz SXFYKPMZTHGTLL-SFHVURJKSA-N -1 3 372.428 3.144 20 0 FGADHM CCc1cccc(C(=O)Nc2cc(F)c(N3CCOCC3)cc2F)c1[O-] ZINC000553743678 504997329 /nfs/dbraw/zinc/99/73/29/504997329.db2.gz QTPYPWPNVCQQMK-UHFFFAOYSA-N -1 3 362.376 3.322 20 0 FGADHM COc1cccc(-c2nc(CN[C@H](C)[C@@H](C)C(=O)[O-])cs2)c1OC ZINC000565837920 505002648 /nfs/dbraw/zinc/00/26/48/505002648.db2.gz IWYGDBPTWDXVIP-GHMZBOCLSA-N -1 3 350.440 3.026 20 0 FGADHM O=C(N=c1[nH][n-]cc1Br)c1cccc(Oc2ccncc2)c1 ZINC000556884143 505005883 /nfs/dbraw/zinc/00/58/83/505005883.db2.gz LPQHYWGOWMUDHC-UHFFFAOYSA-N -1 3 359.183 3.034 20 0 FGADHM CC1(C)Cc2ccc(C(=O)NCC(=O)C3CCC(F)(F)CC3)c([O-])c2O1 ZINC000563011226 505019420 /nfs/dbraw/zinc/01/94/20/505019420.db2.gz MHMMHZHEFGSRIJ-UHFFFAOYSA-N -1 3 367.392 3.230 20 0 FGADHM Cc1ccc(CS(=O)(=O)[N-][C@@H]2c3ccc(F)cc3O[C@@H]2C)c(F)c1 ZINC000553901658 505037063 /nfs/dbraw/zinc/03/70/63/505037063.db2.gz NWFRJRMOBAKUOZ-DIFFPNOSSA-N -1 3 353.390 3.215 20 0 FGADHM Cc1cc(F)c(S(=O)(=O)[N-][C@H]2c3ccc(F)cc3O[C@H]2C)cc1F ZINC000553908003 505038724 /nfs/dbraw/zinc/03/87/24/505038724.db2.gz KMBCRSWPPPQGHR-XXFAHNHDSA-N -1 3 357.353 3.213 20 0 FGADHM O=S(=O)([N-][C@@H](COc1ccccc1)c1ccccc1)c1ccccn1 ZINC000550464751 505050541 /nfs/dbraw/zinc/05/05/41/505050541.db2.gz ZVZJQKAZARERDI-SFHVURJKSA-N -1 3 354.431 3.180 20 0 FGADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@H]2CC3CCC2CC3)cc1Cl ZINC000566015808 505055818 /nfs/dbraw/zinc/05/58/18/505055818.db2.gz OKBVQQNEVVTGMP-MGULZYLOSA-N -1 3 374.865 3.295 20 0 FGADHM CC1=C(C)C[C@@H](C(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)CC1 ZINC000563167222 505064830 /nfs/dbraw/zinc/06/48/30/505064830.db2.gz QEQKNIQMUCQCKC-ZDUSSCGKSA-N -1 3 366.458 3.341 20 0 FGADHM Cc1sc(NC[C@H](c2ccccc2)N2CCC(C)CC2)nc1C(=O)[O-] ZINC000563205172 505075982 /nfs/dbraw/zinc/07/59/82/505075982.db2.gz AMIAHUQWMATBFH-MRXNPFEDSA-N -1 3 359.495 3.457 20 0 FGADHM Cc1ncc(CNC(=O)NC[C@H]2CCCC[C@H]2c2ccccc2)c(=O)[n-]1 ZINC000560430928 505082535 /nfs/dbraw/zinc/08/25/35/505082535.db2.gz VXDSFNMKVJJRIC-AEFFLSMTSA-N -1 3 354.454 3.264 20 0 FGADHM O=C(N=c1cc(-c2cccnc2)[n-][nH]1)c1cccc(CN2CCCCC2)c1 ZINC000563238582 505084954 /nfs/dbraw/zinc/08/49/54/505084954.db2.gz SLWFVGXJHURRMI-UHFFFAOYSA-N -1 3 361.449 3.132 20 0 FGADHM CCO[C@@H]1C[C@@H](NC(=O)c2cc([O-])ccc2Cl)[C@H]1Oc1ccccc1 ZINC000563241274 505085490 /nfs/dbraw/zinc/08/54/90/505085490.db2.gz ZGVMHZCWIAWRSH-KZNAEPCWSA-N -1 3 361.825 3.400 20 0 FGADHM COc1cnccc1CNC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000560445891 505087709 /nfs/dbraw/zinc/08/77/09/505087709.db2.gz BPRCRGXKEZBNRY-UHFFFAOYSA-N -1 3 364.401 3.305 20 0 FGADHM COc1ccc([C@@H](CN(C)C)NC(=O)CCCc2ccc([O-])c(F)c2)cc1 ZINC000557205187 505092540 /nfs/dbraw/zinc/09/25/40/505092540.db2.gz IIPCEYNGTJVZFB-LJQANCHMSA-N -1 3 374.456 3.282 20 0 FGADHM Cc1ccc(C)c(OC[C@H](O)CN(C)Cc2ccc(C(=O)[O-])cc2)c1C ZINC000563282126 505095270 /nfs/dbraw/zinc/09/52/70/505095270.db2.gz FABKGTSSPVETFP-LJQANCHMSA-N -1 3 357.450 3.182 20 0 FGADHM COc1ccccc1S(=O)(=O)[N-]c1cc(C[S@@](C)=O)ccc1Cl ZINC000550794731 505102616 /nfs/dbraw/zinc/10/26/16/505102616.db2.gz JHROPUQHJMMVGU-JOCHJYFZSA-N -1 3 373.883 3.028 20 0 FGADHM Cc1ccccc1[C@H]([C@@H](C)NC(=O)N=c1[n-]nc(C(F)F)s1)N(C)C ZINC000554168950 505109194 /nfs/dbraw/zinc/10/91/94/505109194.db2.gz JCBPGTNZMGUYGG-PWSUYJOCSA-N -1 3 369.441 3.019 20 0 FGADHM O=C(N[C@H]1CCCN(c2ccccc2Cl)C1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000563387688 505129039 /nfs/dbraw/zinc/12/90/39/505129039.db2.gz ZXUQXKLSQHIPBW-ZDUSSCGKSA-N -1 3 372.856 3.112 20 0 FGADHM CC(C)=CCC[C@H](C)CC(=O)NCc1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000566272974 505130822 /nfs/dbraw/zinc/13/08/22/505130822.db2.gz QWLOOKHAAMUPII-BTYIYWSLSA-N -1 3 371.481 3.130 20 0 FGADHM COc1ccc(Cn2nc(C)c(CN3CCC[C@@H](CC(=O)[O-])C3)c2C)cc1 ZINC000563396542 505131663 /nfs/dbraw/zinc/13/16/63/505131663.db2.gz CEIJWRPGLXRPAY-SFHVURJKSA-N -1 3 371.481 3.244 20 0 FGADHM Cc1cccc(O[C@H](C)C[N-]S(=O)(=O)c2cccnc2C(F)(F)F)c1 ZINC000557432032 505133369 /nfs/dbraw/zinc/13/33/69/505133369.db2.gz YBFZNAFVVRZNJU-GFCCVEGCSA-N -1 3 374.384 3.155 20 0 FGADHM Cc1ccnc([C@@H]2CCN(C(=O)c3ccc4c(c3[O-])OC(C)(C)C4)C2)c1 ZINC000563409948 505135295 /nfs/dbraw/zinc/13/52/95/505135295.db2.gz ZMYAJTHXYRZVFQ-OAHLLOKOSA-N -1 3 352.434 3.439 20 0 FGADHM CCOc1cc2nccc(N3C[C@H](OC)C[C@H]3CC(=O)[O-])c2cc1OCC ZINC000566296625 505137750 /nfs/dbraw/zinc/13/77/50/505137750.db2.gz FAFQEVQAJSTZRH-UONOGXRCSA-N -1 3 374.437 3.101 20 0 FGADHM O=C(N=c1cc2ccccn2[n-]1)N(Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000557461926 505141577 /nfs/dbraw/zinc/14/15/77/505141577.db2.gz DHTKBAQWJOFHJA-GOSISDBHSA-N -1 3 368.412 3.108 20 0 FGADHM CCCc1nc(=NC(=O)NC[C@H](c2ccsc2)N(CC)CC)s[n-]1 ZINC000551051256 505148092 /nfs/dbraw/zinc/14/80/92/505148092.db2.gz JJJQLPPTTXWIMH-CYBMUJFWSA-N -1 3 367.544 3.179 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@H]2CC3CCC2CC3)c1 ZINC000554358305 505152818 /nfs/dbraw/zinc/15/28/18/505152818.db2.gz HVYZMYZRQNEQJW-FVKWTLKZSA-N -1 3 369.421 3.249 20 0 FGADHM CCc1cc(C(=O)NCCCNc2ccc(C(F)(F)F)cn2)ccc1[O-] ZINC000557517360 505154275 /nfs/dbraw/zinc/15/42/75/505154275.db2.gz ALLVSEZYRNOMSQ-UHFFFAOYSA-N -1 3 367.371 3.022 20 0 FGADHM COc1cc(NC(=O)c2[n-]nc3c2cccc3OC)cc(-n2cccn2)c1 ZINC000557523689 505156113 /nfs/dbraw/zinc/15/61/13/505156113.db2.gz OPSNQSKLSGYDDA-UHFFFAOYSA-N -1 3 363.377 3.018 20 0 FGADHM COc1cc(NC(=O)c2n[n-]c3c2cccc3OC)cc(-n2cccn2)c1 ZINC000557523689 505156115 /nfs/dbraw/zinc/15/61/15/505156115.db2.gz OPSNQSKLSGYDDA-UHFFFAOYSA-N -1 3 363.377 3.018 20 0 FGADHM COc1ccc(C(=O)CCC(=O)N=c2cc3ccccn3[n-]2)c(Cl)c1 ZINC000557528141 505157827 /nfs/dbraw/zinc/15/78/27/505157827.db2.gz HTHSKQSSNYBBNL-UHFFFAOYSA-N -1 3 357.797 3.020 20 0 FGADHM Cc1ccc2[n-]cc(C(=O)N3C[C@@H](C)Oc4cc(F)ccc43)c(=O)c2c1 ZINC000557545372 505163566 /nfs/dbraw/zinc/16/35/66/505163566.db2.gz DLBNPKZGYLUXEW-GFCCVEGCSA-N -1 3 352.365 3.403 20 0 FGADHM CNC(=O)Nc1cc(NC(=O)c2c[n-]nc2-c2ccccc2)ccc1F ZINC000557558142 505167347 /nfs/dbraw/zinc/16/73/47/505167347.db2.gz QKVWBECJXJEDJH-UHFFFAOYSA-N -1 3 353.357 3.219 20 0 FGADHM COc1cccc(F)c1[C@H](C)[N-]S(=O)(=O)Cc1cc(C(C)(C)C)on1 ZINC000551161896 505168127 /nfs/dbraw/zinc/16/81/27/505168127.db2.gz MUBOPLIFOPYGNR-NSHDSACASA-N -1 3 370.446 3.300 20 0 FGADHM COC(=O)c1cc(C(=O)Nc2cc(-c3ccccc3)nn2C(C)C)c[n-]1 ZINC000551165941 505168998 /nfs/dbraw/zinc/16/89/98/505168998.db2.gz UXHNVBHYCUUKAM-UHFFFAOYSA-N -1 3 352.394 3.498 20 0 FGADHM CC(C)(C)OC(=O)[C@@H]1CN(Cc2ncccc2[O-])C[C@H]1c1ccccc1 ZINC000563536939 505170075 /nfs/dbraw/zinc/17/00/75/505170075.db2.gz HPZCENXOZUKMCZ-DLBZAZTESA-N -1 3 354.450 3.345 20 0 FGADHM O=S(=O)([N-][C@@H]1C[C@H]1C1CC1)c1cccc(Br)c1Cl ZINC000551199762 505176783 /nfs/dbraw/zinc/17/67/83/505176783.db2.gz OTELPLDYLFXWSV-WCBMZHEXSA-N -1 3 350.665 3.179 20 0 FGADHM CC[C@@H](O)CN(Cc1ccccc1)C(=O)c1c[n-]c2ccc(C)cc2c1=O ZINC000557596847 505178722 /nfs/dbraw/zinc/17/87/22/505178722.db2.gz HIKMOBPCAULIML-QGZVFWFLSA-N -1 3 364.445 3.250 20 0 FGADHM C[C@@H]1C[C@@H](NC(=O)CNC(=O)c2ccc([O-])cc2)C[C@@H](c2ccccc2)C1 ZINC000560757164 505179013 /nfs/dbraw/zinc/17/90/13/505179013.db2.gz WNBMLWUSLBLNFT-ZYSHUDEJSA-N -1 3 366.461 3.211 20 0 FGADHM O=C(CO[C@@H]1CCCc2ccccc21)[N-]c1nncn1Cc1ccccc1 ZINC000563615000 505193155 /nfs/dbraw/zinc/19/31/55/505193155.db2.gz YBIQZZDTAMGGDS-LJQANCHMSA-N -1 3 362.433 3.359 20 0 FGADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)NC[C@H]1CCC[C@@H]1C1CC1 ZINC000560871480 505204745 /nfs/dbraw/zinc/20/47/45/505204745.db2.gz NKSKLTCKEJWQJR-ZIAGYGMSSA-N -1 3 354.454 3.107 20 0 FGADHM Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1ccc(CN(C)C)cc1F ZINC000560881290 505205647 /nfs/dbraw/zinc/20/56/47/505205647.db2.gz GZSHZAPKWSMKJK-UHFFFAOYSA-N -1 3 368.478 3.082 20 0 FGADHM O=C(c1c[n-]c2c(F)cc(F)cc2c1=O)N1CCc2ccccc2CC1 ZINC000554574627 505211367 /nfs/dbraw/zinc/21/13/67/505211367.db2.gz DNSQQMYCDQJTOL-UHFFFAOYSA-N -1 3 354.356 3.047 20 0 FGADHM COc1cccc([C@@H]2[C@@H](NC(=O)c3ccc([O-])c(C)c3)CCN2C2CC2)c1 ZINC000557717096 505212544 /nfs/dbraw/zinc/21/25/44/505212544.db2.gz KRTSRZPGHMRTQY-PZJWPPBQSA-N -1 3 366.461 3.417 20 0 FGADHM CC1(C)CCC([N-]S(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)CC1 ZINC000566613049 505223127 /nfs/dbraw/zinc/22/31/27/505223127.db2.gz AHWITVXDFVYNOS-UHFFFAOYSA-N -1 3 370.902 3.472 20 0 FGADHM C[C@H]1CCn2ncc(C(=O)Nc3ccc(Br)cc3[O-])c2C1 ZINC000566622057 505225035 /nfs/dbraw/zinc/22/50/35/505225035.db2.gz PLAZKZIFOVJNJT-VIFPVBQESA-N -1 3 350.216 3.186 20 0 FGADHM O=C(N=c1cc2ccccn2[n-]1)N1CCc2ccc(Br)cc2C1 ZINC000563742609 505225958 /nfs/dbraw/zinc/22/59/58/505225958.db2.gz HXORUJGAIJTQMD-UHFFFAOYSA-N -1 3 371.238 3.109 20 0 FGADHM O=S(=O)([N-]C[C@H]1CCCc2ccccc21)c1cccnc1C(F)(F)F ZINC000557790485 505231817 /nfs/dbraw/zinc/23/18/17/505231817.db2.gz JGYMSXGSZYVFFP-CYBMUJFWSA-N -1 3 370.396 3.499 20 0 FGADHM C[C@@H]1CC(=O)N[C@H](C(=O)[N-]c2cc(-c3ccc(C(C)(C)C)cc3)no2)C1 ZINC000566659324 505234710 /nfs/dbraw/zinc/23/47/10/505234710.db2.gz FIMSSDPDEYORAS-LRDDRELGSA-N -1 3 355.438 3.492 20 0 FGADHM Oc1[n-]c(N2CC[C@](F)(c3cccc(C(F)(F)F)c3)C2)nc2nncc1-2 ZINC000554684535 505239909 /nfs/dbraw/zinc/23/99/09/505239909.db2.gz HNJTVVUBYGGRHU-OAHLLOKOSA-N -1 3 367.306 3.152 20 0 FGADHM COCC[C@H]([N-]S(=O)(=O)Cc1cc(C(C)(C)C)on1)c1ccc(C)o1 ZINC000551510661 505239928 /nfs/dbraw/zinc/23/99/28/505239928.db2.gz IRFDVQQIOTZSAV-AWEZNQCLSA-N -1 3 370.471 3.071 20 0 FGADHM O=S(=O)([N-]CCC1(F)CCC1)c1ccc(F)cc1Br ZINC000557850075 505245594 /nfs/dbraw/zinc/24/55/94/505245594.db2.gz SPAVHJRVZCQDGI-UHFFFAOYSA-N -1 3 354.216 3.149 20 0 FGADHM COc1ccc([C@H](C)[N-]S(=O)(=O)c2cc(F)ccc2F)c(C)c1OC ZINC000557863197 505249395 /nfs/dbraw/zinc/24/93/95/505249395.db2.gz ITYHNKUPUKATBX-NSHDSACASA-N -1 3 371.405 3.330 20 0 FGADHM Cn1cc(C(F)(F)F)nc1[C@H]1CCCN(Cc2ccc(C(=O)[O-])o2)C1 ZINC000566743155 505261181 /nfs/dbraw/zinc/26/11/81/505261181.db2.gz JQSFMWRXNNYMDY-JTQLQIEISA-N -1 3 357.332 3.110 20 0 FGADHM 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XYCNTHJCELWWFO-MRXNPFEDSA-N -1 3 359.451 3.227 20 0 FGADHM CCOC(=O)c1cc2cc(C(=O)N=c3cc([C@@H]4CCCO4)[n-][nH]3)ccc2[nH]1 ZINC000473848693 515773503 /nfs/dbraw/zinc/77/35/03/515773503.db2.gz SQIVLZVGDLWTFW-INIZCTEOSA-N -1 3 368.393 3.172 20 0 FGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)[C@H]1OCCc2ccccc21 ZINC000511331624 515865746 /nfs/dbraw/zinc/86/57/46/515865746.db2.gz FIVCWYZKCSSHNA-INIZCTEOSA-N -1 3 372.222 3.349 20 0 FGADHM CCN=c1[n-]c(C(=O)NC[C@@H](C)Cc2ccc(OC)c(OC)c2)cs1 ZINC000478567168 515875301 /nfs/dbraw/zinc/87/53/01/515875301.db2.gz YXTPXBKCRRKRQT-LBPRGKRZSA-N -1 3 363.483 3.201 20 0 FGADHM Cc1cc(NC(=O)c2cc(F)cc3[n-]nnc32)nn1-c1ccc(F)cc1F ZINC000495009013 516033549 /nfs/dbraw/zinc/03/35/49/516033549.db2.gz ZBPUCZYCUJBSLX-UHFFFAOYSA-N -1 3 372.310 3.122 20 0 FGADHM Cc1cc(NC(=O)c2cc(F)cc3nn[n-]c32)nn1-c1ccc(F)cc1F ZINC000495009013 516033556 /nfs/dbraw/zinc/03/35/56/516033556.db2.gz ZBPUCZYCUJBSLX-UHFFFAOYSA-N -1 3 372.310 3.122 20 0 FGADHM Cc1cc(NC(=O)c2cc(F)cc3n[n-]nc32)nn1-c1ccc(F)cc1F ZINC000495009013 516033561 /nfs/dbraw/zinc/03/35/61/516033561.db2.gz ZBPUCZYCUJBSLX-UHFFFAOYSA-N -1 3 372.310 3.122 20 0 FGADHM COC[C@@H](C)n1ccc(NCc2ccc(OC)c([O-])c2Br)n1 ZINC000495174154 516090853 /nfs/dbraw/zinc/09/08/53/516090853.db2.gz LSNRKYSEPYIVSC-SNVBAGLBSA-N -1 3 370.247 3.179 20 0 FGADHM CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)N=c2cc(-c3ccccc3)[n-][nH]2)C1 ZINC000512180015 516186857 /nfs/dbraw/zinc/18/68/57/516186857.db2.gz DVEPKLVSNIXYJP-GOEBONIOSA-N -1 3 354.454 3.300 20 0 FGADHM CCN=c1[n-]c(C(=O)N2C[C@@H](C)N(Cc3ccccc3)C[C@@H]2C)cs1 ZINC000501862966 516246154 /nfs/dbraw/zinc/24/61/54/516246154.db2.gz ODXVROQQQYOCOP-CABCVRRESA-N -1 3 358.511 3.310 20 0 FGADHM Cc1cccc([C@@H](CC(=O)N=c2cc(-c3ccccc3)[n-][nH]2)NC(N)=O)c1 ZINC000497574708 516326955 /nfs/dbraw/zinc/32/69/55/516326955.db2.gz KSKYMZHBUQQUFG-MRXNPFEDSA-N -1 3 363.421 3.123 20 0 FGADHM CCN(CC)C[C@@H](C)NC(=O)N=c1[n-]nc(Cc2ccc(C)cc2)s1 ZINC000518683335 516739926 /nfs/dbraw/zinc/73/99/26/516739926.db2.gz RJQGOZFTOLWQGZ-CQSZACIVSA-N -1 3 361.515 3.289 20 0 FGADHM O=C(Cc1cc(Cl)cc2c1OCC2)N=c1cc(-c2ccncc2)[n-][nH]1 ZINC000544600387 516832775 /nfs/dbraw/zinc/83/27/75/516832775.db2.gz QSLHEYACXMIXDW-UHFFFAOYSA-N -1 3 354.797 3.241 20 0 FGADHM CCN=c1[n-]c(C(=O)N2CCC(Oc3ccc(OC)cc3)CC2)cs1 ZINC000532642065 517076914 /nfs/dbraw/zinc/07/69/14/517076914.db2.gz GDWBCBPXBPWITN-UHFFFAOYSA-N -1 3 361.467 3.267 20 0 FGADHM O=C(Cc1coc(-c2ccc(F)cc2)n1)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000525967201 517263162 /nfs/dbraw/zinc/26/31/62/517263162.db2.gz VKSRXFFZLPZZJF-HNNXBMFYSA-N -1 3 356.357 3.237 20 0 FGADHM C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)N=c1ccc(C2CC2)n[n-]1 ZINC000533307956 517398344 /nfs/dbraw/zinc/39/83/44/517398344.db2.gz LYKROPOKRGOWEC-MAUKXSAKSA-N -1 3 365.481 3.386 20 0 FGADHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)c1cc(N2CCCC2=O)ccc1Cl ZINC000526960126 517411658 /nfs/dbraw/zinc/41/16/58/517411658.db2.gz QBAKCCWJQATWEM-OAHLLOKOSA-N -1 3 374.828 3.294 20 0 FGADHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)c1ccc(F)c(Br)c1 ZINC000526960550 517411842 /nfs/dbraw/zinc/41/18/42/517411842.db2.gz SFEQNOFRLIKCIV-GFCCVEGCSA-N -1 3 354.179 3.415 20 0 FGADHM COC(=O)c1[nH]c(C)c(C(=O)N=c2cc(-c3ccccc3C)[n-][nH]2)c1C ZINC000538221707 517512926 /nfs/dbraw/zinc/51/29/26/517512926.db2.gz DFHLAWUQFGYLCG-UHFFFAOYSA-N -1 3 352.394 3.369 20 0 FGADHM CCC(=O)N1CCC[C@H](C(=O)N=c2[nH][n-]c(C)c2-c2ccc(C)cc2)C1 ZINC000530271678 517668879 /nfs/dbraw/zinc/66/88/79/517668879.db2.gz HAOKTMYFDYJKNR-INIZCTEOSA-N -1 3 354.454 3.281 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)C(=O)c2cnn(C(C)(C)C)c2)c1-c1ccc(F)cc1 ZINC000530274692 517670912 /nfs/dbraw/zinc/67/09/12/517670912.db2.gz SYJXZRVOEHQXAC-UHFFFAOYSA-N -1 3 369.400 3.297 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)C2CCC(C(=O)N(C)C)CC2)c1-c1ccc(F)cc1 ZINC000530276181 517672867 /nfs/dbraw/zinc/67/28/67/517672867.db2.gz FSCAMSKHZCKADH-UHFFFAOYSA-N -1 3 372.444 3.357 20 0 FGADHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000527499284 517710151 /nfs/dbraw/zinc/71/01/51/517710151.db2.gz ULRKRTGSBGCROZ-MJGOQNOKSA-N -1 3 371.437 3.137 20 0 FGADHM CN(C)C[C@H](NC(=O)N=c1cc2ccccn2[n-]1)c1ccc(Cl)cc1 ZINC000522023837 517955766 /nfs/dbraw/zinc/95/57/66/517955766.db2.gz MFNGHXBGVVSSEL-INIZCTEOSA-N -1 3 357.845 3.412 20 0 FGADHM O=C(N=c1cc(-c2ccccc2)[n-][nH]1)[C@@H]1CC(=O)N(C2CCCCC2)C1 ZINC000522108563 517988396 /nfs/dbraw/zinc/98/83/96/517988396.db2.gz VPKSJMRBLVZBKB-OAHLLOKOSA-N -1 3 352.438 3.196 20 0 FGADHM CC(=O)N1CCC[C@H](C(=O)N=c2[nH][n-]c(C)c2-c2cccc(Cl)c2)C1 ZINC000608469208 519992274 /nfs/dbraw/zinc/99/22/74/519992274.db2.gz DLZYFEVUXKXNDP-AWEZNQCLSA-N -1 3 360.845 3.236 20 0 FGADHM CCN=c1[n-]c(C(=O)N(Cc2ccccc2)[C@@H](CO)C2CCC2)cs1 ZINC000616462794 520025242 /nfs/dbraw/zinc/02/52/42/520025242.db2.gz IIWNBTVXESMWGR-KRWDZBQOSA-N -1 3 359.495 3.378 20 0 FGADHM O=C(Cc1ccc(Br)cc1F)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000616823804 520163970 /nfs/dbraw/zinc/16/39/70/520163970.db2.gz ZBXXIEPHYCMBRL-ZDUSSCGKSA-N -1 3 368.206 3.344 20 0 FGADHM O=C(Cc1ccc(Br)cc1F)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000616823803 520164978 /nfs/dbraw/zinc/16/49/78/520164978.db2.gz ZBXXIEPHYCMBRL-CYBMUJFWSA-N -1 3 368.206 3.344 20 0 FGADHM CCN=c1[n-]c(C(=O)NC2(c3ccc(F)cc3F)CCOCC2)cs1 ZINC000613095424 520320517 /nfs/dbraw/zinc/32/05/17/520320517.db2.gz WHYHYHMLSSDBCB-UHFFFAOYSA-N -1 3 367.421 3.289 20 0 FGADHM C[S@](=O)c1cccc(C(=O)N=c2cc(-c3cc(F)cc(F)c3)[n-][nH]2)c1 ZINC000613801316 520681938 /nfs/dbraw/zinc/68/19/38/520681938.db2.gz IQBSLIASQGFCGJ-RUZDIDTESA-N -1 3 361.373 3.345 20 0 FGADHM CC(C)CC1(C(=O)N=c2[n-]n(C)cc2I)CCC1 ZINC000602382529 521311607 /nfs/dbraw/zinc/31/16/07/521311607.db2.gz UGFPOQXCZUAADF-UHFFFAOYSA-N -1 3 361.227 3.180 20 0 FGADHM CCC[C@H](C)N1C[C@H](C(=O)N=c2[nH][n-]c(C)c2-c2ccccc2F)CC1=O ZINC000630024330 522585532 /nfs/dbraw/zinc/58/55/32/522585532.db2.gz NOSKYOYRLBFUKE-GXTWGEPZSA-N -1 3 372.444 3.500 20 0 FGADHM Cc1ccc(-c2cc(=NC(=O)[C@H]3CN(C)C[C@@H]3c3ccccc3)[nH][n-]2)o1 ZINC000628032414 523284932 /nfs/dbraw/zinc/28/49/32/523284932.db2.gz ZIQJUTBSPZCHJQ-CVEARBPZSA-N -1 3 350.422 3.262 20 0 FGADHM Cc1ccccc1-c1cc(=NC(=O)CSCC(=O)N2CCCCC2)[nH][n-]1 ZINC000522108092 562191663 /nfs/dbraw/zinc/19/16/63/562191663.db2.gz AKZXLXXUMLUIAS-UHFFFAOYSA-N -1 3 372.494 3.069 20 0 FGADHM COCCCn1cc(C(=O)N=c2[nH][n-]c(C)c2-c2ccc(F)cc2)cn1 ZINC000530275435 562404948 /nfs/dbraw/zinc/40/49/48/562404948.db2.gz CDDXBRQMHWWPFA-UHFFFAOYSA-N -1 3 357.389 3.010 20 0 FGADHM Cc1ccc2c(c1)[C@H]([N-]S(=O)(=O)c1cccnc1C(F)(F)F)CC2 ZINC000672383659 568040719 /nfs/dbraw/zinc/04/07/19/568040719.db2.gz DAJREBWZHFVTOI-CYBMUJFWSA-N -1 3 356.369 3.375 20 0 FGADHM Cn1cc(C(=O)N(C2CC2)[C@H]2CCCC[C@H]2C2CCCCC2)c(=O)[n-]c1=O ZINC000525797555 568305353 /nfs/dbraw/zinc/30/53/53/568305353.db2.gz YWQGYTIQMFVUNC-WMZOPIPTSA-N -1 3 373.497 3.230 20 0 FGADHM CCCN(CCc1cccc(F)c1)C(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736479944 598823248 /nfs/dbraw/zinc/82/32/48/598823248.db2.gz NDPUGIWUQGCIHC-UHFFFAOYSA-N -1 3 353.401 3.101 20 0 FGADHM CCCN(CCc1cccc(F)c1)C(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736479944 598823249 /nfs/dbraw/zinc/82/32/49/598823249.db2.gz NDPUGIWUQGCIHC-UHFFFAOYSA-N -1 3 353.401 3.101 20 0 FGADHM CC[C@@H](C)NC(=S)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000736326022 598827060 /nfs/dbraw/zinc/82/70/60/598827060.db2.gz MDVLDEVSTJFZGJ-LLVKDONJSA-N -1 3 372.523 3.358 20 0 FGADHM CCOCCCC(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000736611843 598835546 /nfs/dbraw/zinc/83/55/46/598835546.db2.gz WUYQJFFWTFMBSI-UHFFFAOYSA-N -1 3 371.466 3.028 20 0 FGADHM O=C(O[C@@H]1C=CCCC1)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000738212137 598845495 /nfs/dbraw/zinc/84/54/95/598845495.db2.gz COHLIEVQBHCPIH-OAHLLOKOSA-N -1 3 366.377 3.304 20 0 FGADHM O=C(O[C@@H]1C=CCCC1)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000738212137 598845496 /nfs/dbraw/zinc/84/54/96/598845496.db2.gz COHLIEVQBHCPIH-OAHLLOKOSA-N -1 3 366.377 3.304 20 0 FGADHM Cc1cc(C)c(-c2nnn[n-]2)c(NCc2ccccc2OCC2CC2)n1 ZINC000737241603 598855550 /nfs/dbraw/zinc/85/55/50/598855550.db2.gz SJIUJNSOHOZKSJ-UHFFFAOYSA-N -1 3 350.426 3.279 20 0 FGADHM Cc1cc(C)c(-c2nn[n-]n2)c(NCc2ccccc2OCC2CC2)n1 ZINC000737241603 598855551 /nfs/dbraw/zinc/85/55/51/598855551.db2.gz SJIUJNSOHOZKSJ-UHFFFAOYSA-N -1 3 350.426 3.279 20 0 FGADHM O=C(Nc1ccc(Oc2ccccn2)cc1)c1sccc1-c1nnn[n-]1 ZINC000738173161 598866508 /nfs/dbraw/zinc/86/65/08/598866508.db2.gz CWKALAKFAKGRHW-UHFFFAOYSA-N -1 3 364.390 3.368 20 0 FGADHM O=C(Nc1ccc(Oc2ccccn2)cc1)c1sccc1-c1nn[n-]n1 ZINC000738173161 598866510 /nfs/dbraw/zinc/86/65/10/598866510.db2.gz CWKALAKFAKGRHW-UHFFFAOYSA-N -1 3 364.390 3.368 20 0 FGADHM COC(=O)[C@H](NCC1CCCCCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736895947 598881016 /nfs/dbraw/zinc/88/10/16/598881016.db2.gz KEGKPKGJEXXGGH-QGZVFWFLSA-N -1 3 357.458 3.031 20 0 FGADHM COC(=O)[C@H](NCC1CCCCCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736895947 598881018 /nfs/dbraw/zinc/88/10/18/598881018.db2.gz KEGKPKGJEXXGGH-QGZVFWFLSA-N -1 3 357.458 3.031 20 0 FGADHM COC(=O)[C@H](N[C@@H](C)c1ccc(C)cc1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736899684 598882334 /nfs/dbraw/zinc/88/23/34/598882334.db2.gz ZAFHTPWLPDTAEG-KBXCAEBGSA-N -1 3 365.437 3.048 20 0 FGADHM COC(=O)[C@H](N[C@@H](C)c1ccc(C)cc1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736899684 598882335 /nfs/dbraw/zinc/88/23/35/598882335.db2.gz ZAFHTPWLPDTAEG-KBXCAEBGSA-N -1 3 365.437 3.048 20 0 FGADHM Cc1ccc(C)c(C(=O)O[C@H](C)COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737321106 598886558 /nfs/dbraw/zinc/88/65/58/598886558.db2.gz DDVMVZWTZTXIRV-CQSZACIVSA-N -1 3 352.394 3.108 20 0 FGADHM Cc1ccc(C)c(C(=O)O[C@H](C)COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737321106 598886559 /nfs/dbraw/zinc/88/65/59/598886559.db2.gz DDVMVZWTZTXIRV-CQSZACIVSA-N -1 3 352.394 3.108 20 0 FGADHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)c1ccc(Cl)s1 ZINC000736036909 598887482 /nfs/dbraw/zinc/88/74/82/598887482.db2.gz BUGYLLLORQENQP-SECBINFHSA-N -1 3 364.814 3.206 20 0 FGADHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)c1ccc(Cl)s1 ZINC000736036909 598887484 /nfs/dbraw/zinc/88/74/84/598887484.db2.gz BUGYLLLORQENQP-SECBINFHSA-N -1 3 364.814 3.206 20 0 FGADHM CSc1ccccc1C(=O)O[C@H](C)COc1cccc(-c2nnn[n-]2)c1 ZINC000737191109 598888404 /nfs/dbraw/zinc/88/84/04/598888404.db2.gz LVILPCHHBVBVGE-GFCCVEGCSA-N -1 3 370.434 3.213 20 0 FGADHM CSc1ccccc1C(=O)O[C@H](C)COc1cccc(-c2nn[n-]n2)c1 ZINC000737191109 598888406 /nfs/dbraw/zinc/88/84/06/598888406.db2.gz LVILPCHHBVBVGE-GFCCVEGCSA-N -1 3 370.434 3.213 20 0 FGADHM Cc1ccc(CC(=O)O[C@@H](C)COc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000737334331 598888502 /nfs/dbraw/zinc/88/85/02/598888502.db2.gz FRMGWSDUKXBJJF-HNNXBMFYSA-N -1 3 366.421 3.037 20 0 FGADHM Cc1ccc(CC(=O)O[C@@H](C)COc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000737334331 598888504 /nfs/dbraw/zinc/88/85/04/598888504.db2.gz FRMGWSDUKXBJJF-HNNXBMFYSA-N -1 3 366.421 3.037 20 0 FGADHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)OCc1ccc2ccccc2c1 ZINC000737900235 598898904 /nfs/dbraw/zinc/89/89/04/598898904.db2.gz XNGJIKOATAJLRL-UHFFFAOYSA-N -1 3 359.389 3.175 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)NC1(C(F)(F)F)CCCCC1 ZINC000737798524 598910783 /nfs/dbraw/zinc/91/07/83/598910783.db2.gz LQZHCLPFCBUBCL-CMDGGOBGSA-N -1 3 365.359 3.261 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)NC1(C(F)(F)F)CCCCC1 ZINC000737798524 598910785 /nfs/dbraw/zinc/91/07/85/598910785.db2.gz LQZHCLPFCBUBCL-CMDGGOBGSA-N -1 3 365.359 3.261 20 0 FGADHM C[C@@H]1CCCCCN1C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000736267078 598922874 /nfs/dbraw/zinc/92/28/74/598922874.db2.gz LOUKEJUZMJVCCN-SNVBAGLBSA-N -1 3 366.372 3.265 20 0 FGADHM C[C@@H]1CCCCCN1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000736267078 598922875 /nfs/dbraw/zinc/92/28/75/598922875.db2.gz LOUKEJUZMJVCCN-SNVBAGLBSA-N -1 3 366.372 3.265 20 0 FGADHM Cc1ccc(-c2nnc(Sc3ncc(-c4nnn[n-]4)cc3Cl)o2)cc1 ZINC000737288705 598936298 /nfs/dbraw/zinc/93/62/98/598936298.db2.gz MQWNQPFVTCZTAW-UHFFFAOYSA-N -1 3 371.813 3.425 20 0 FGADHM Cc1ccc(-c2nnc(Sc3ncc(-c4nn[n-]n4)cc3Cl)o2)cc1 ZINC000737288705 598936300 /nfs/dbraw/zinc/93/63/00/598936300.db2.gz MQWNQPFVTCZTAW-UHFFFAOYSA-N -1 3 371.813 3.425 20 0 FGADHM C[C@@H](c1ccc(F)c(F)c1)N(C)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000736197639 598937039 /nfs/dbraw/zinc/93/70/39/598937039.db2.gz BPVXMXBGQIGUPT-QMMMGPOBSA-N -1 3 350.760 3.391 20 0 FGADHM C[C@@H](c1ccc(F)c(F)c1)N(C)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000736197639 598937041 /nfs/dbraw/zinc/93/70/41/598937041.db2.gz BPVXMXBGQIGUPT-QMMMGPOBSA-N -1 3 350.760 3.391 20 0 FGADHM CC[C@@H]1CCC[C@@H](NC(=O)[C@@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)C1 ZINC000736394749 598941968 /nfs/dbraw/zinc/94/19/68/598941968.db2.gz FHMFLBDLTACPDR-RKVPGOIHSA-N -1 3 371.485 3.355 20 0 FGADHM CC[C@@H]1CCC[C@@H](NC(=O)[C@@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)C1 ZINC000736394749 598941970 /nfs/dbraw/zinc/94/19/70/598941970.db2.gz FHMFLBDLTACPDR-RKVPGOIHSA-N -1 3 371.485 3.355 20 0 FGADHM Cc1ccc(CN(C(=O)c2sccc2-c2nnn[n-]2)C2CC2)cc1C ZINC000737337752 598942718 /nfs/dbraw/zinc/94/27/18/598942718.db2.gz QGZJATUTRAUMIW-UHFFFAOYSA-N -1 3 353.451 3.350 20 0 FGADHM Cc1ccc(CN(C(=O)c2sccc2-c2nn[n-]n2)C2CC2)cc1C ZINC000737337752 598942719 /nfs/dbraw/zinc/94/27/19/598942719.db2.gz QGZJATUTRAUMIW-UHFFFAOYSA-N -1 3 353.451 3.350 20 0 FGADHM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2cccc(-c3nn[nH]n3)c2C)c1C ZINC000822194218 607255254 /nfs/dbraw/zinc/25/52/54/607255254.db2.gz NRDPMQGQDHNGIT-UHFFFAOYSA-N -1 3 371.466 3.210 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C1(c2cccc(F)c2)CC1 ZINC000738143974 598982538 /nfs/dbraw/zinc/98/25/38/598982538.db2.gz IBEHAZWPYJLMIA-UHFFFAOYSA-N -1 3 357.776 3.330 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C1(c2cccc(F)c2)CC1 ZINC000738143974 598982539 /nfs/dbraw/zinc/98/25/39/598982539.db2.gz IBEHAZWPYJLMIA-UHFFFAOYSA-N -1 3 357.776 3.330 20 0 FGADHM O=C(OCc1ccccc1-c1nnn[n-]1)c1ccccc1Oc1ccccn1 ZINC000738235614 599017287 /nfs/dbraw/zinc/01/72/87/599017287.db2.gz TXQNOUSHUDZBRI-UHFFFAOYSA-N -1 3 373.372 3.411 20 0 FGADHM O=C(OCc1ccccc1-c1nn[n-]n1)c1ccccc1Oc1ccccn1 ZINC000738235614 599017290 /nfs/dbraw/zinc/01/72/90/599017290.db2.gz TXQNOUSHUDZBRI-UHFFFAOYSA-N -1 3 373.372 3.411 20 0 FGADHM CC[C@H](OC(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1cccc(OC)c1 ZINC000736381706 599027655 /nfs/dbraw/zinc/02/76/55/599027655.db2.gz JVDDEWJYGUVBTP-KRWDZBQOSA-N -1 3 352.394 3.112 20 0 FGADHM CC[C@H](OC(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1cccc(OC)c1 ZINC000736381706 599027657 /nfs/dbraw/zinc/02/76/57/599027657.db2.gz JVDDEWJYGUVBTP-KRWDZBQOSA-N -1 3 352.394 3.112 20 0 FGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C[C@@H](C)c1cccnc1 ZINC000735973014 599026373 /nfs/dbraw/zinc/02/63/73/599026373.db2.gz BJBVKIONGMDWTK-OAHLLOKOSA-N -1 3 364.453 3.193 20 0 FGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C[C@@H](C)c1cccnc1 ZINC000735973014 599026375 /nfs/dbraw/zinc/02/63/75/599026375.db2.gz BJBVKIONGMDWTK-OAHLLOKOSA-N -1 3 364.453 3.193 20 0 FGADHM COCCCCOC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736980170 599026892 /nfs/dbraw/zinc/02/68/92/599026892.db2.gz ACCULLPLMHEXHB-UHFFFAOYSA-N -1 3 367.409 3.194 20 0 FGADHM CCO[C@@H]1C[C@H](OC(=O)C=Cc2ccccc2-c2nnn[n-]2)C12CCCC2 ZINC000736612294 599028390 /nfs/dbraw/zinc/02/83/90/599028390.db2.gz NFARGIGEZZSOFT-ZUQFGZKASA-N -1 3 368.437 3.161 20 0 FGADHM CCO[C@@H]1C[C@H](OC(=O)C=Cc2ccccc2-c2nn[n-]n2)C12CCCC2 ZINC000736612294 599028393 /nfs/dbraw/zinc/02/83/93/599028393.db2.gz NFARGIGEZZSOFT-ZUQFGZKASA-N -1 3 368.437 3.161 20 0 FGADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)N1CCCC[C@@H]1c1nccs1 ZINC000737853730 599030336 /nfs/dbraw/zinc/03/03/36/599030336.db2.gz UFPJAGSZDCFVRP-OAHLLOKOSA-N -1 3 368.466 3.010 20 0 FGADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)N1CCCC[C@@H]1c1nccs1 ZINC000737853730 599030338 /nfs/dbraw/zinc/03/03/38/599030338.db2.gz UFPJAGSZDCFVRP-OAHLLOKOSA-N -1 3 368.466 3.010 20 0 FGADHM Cc1c(NCC(=O)N[C@@H](C)c2ccc(Cl)cc2)cccc1-c1nnn[n-]1 ZINC000822116169 607257396 /nfs/dbraw/zinc/25/73/96/607257396.db2.gz NVLIVSOGZZJLKR-LBPRGKRZSA-N -1 3 370.844 3.118 20 0 FGADHM Cc1c(NCC(=O)N[C@@H](C)c2ccc(Cl)cc2)cccc1-c1nn[n-]n1 ZINC000822116169 607257397 /nfs/dbraw/zinc/25/73/97/607257397.db2.gz NVLIVSOGZZJLKR-LBPRGKRZSA-N -1 3 370.844 3.118 20 0 FGADHM CO[C@H](CNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)c1ccccc1 ZINC000736963940 599041921 /nfs/dbraw/zinc/04/19/21/599041921.db2.gz VHRNJOBIBMEZEC-GFCCVEGCSA-N -1 3 364.331 3.080 20 0 FGADHM CO[C@H](CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)c1ccccc1 ZINC000736963940 599041924 /nfs/dbraw/zinc/04/19/24/599041924.db2.gz VHRNJOBIBMEZEC-GFCCVEGCSA-N -1 3 364.331 3.080 20 0 FGADHM C[C@@H](Cc1ccccc1F)Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000736066167 599045371 /nfs/dbraw/zinc/04/53/71/599045371.db2.gz LAFSRAWWEWUDNY-VIFPVBQESA-N -1 3 366.322 3.463 20 0 FGADHM C[C@@H](Cc1ccccc1F)Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000736066167 599045372 /nfs/dbraw/zinc/04/53/72/599045372.db2.gz LAFSRAWWEWUDNY-VIFPVBQESA-N -1 3 366.322 3.463 20 0 FGADHM C[C@H](Cc1ccccc1F)Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000736066166 599045383 /nfs/dbraw/zinc/04/53/83/599045383.db2.gz LAFSRAWWEWUDNY-SECBINFHSA-N -1 3 366.322 3.463 20 0 FGADHM C[C@H](Cc1ccccc1F)Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000736066166 599045385 /nfs/dbraw/zinc/04/53/85/599045385.db2.gz LAFSRAWWEWUDNY-SECBINFHSA-N -1 3 366.322 3.463 20 0 FGADHM Cc1ccc(CN(C)c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)s1 ZINC000737343238 599055135 /nfs/dbraw/zinc/05/51/35/599055135.db2.gz XYZNQHIGRZTQBW-UHFFFAOYSA-N -1 3 354.361 3.287 20 0 FGADHM Cc1ccc(CN(C)c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)s1 ZINC000737343238 599055138 /nfs/dbraw/zinc/05/51/38/599055138.db2.gz XYZNQHIGRZTQBW-UHFFFAOYSA-N -1 3 354.361 3.287 20 0 FGADHM Cc1noc(C)c1[C@H](C)Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000737535473 599057555 /nfs/dbraw/zinc/05/75/55/599057555.db2.gz AKSNYJRBGARICD-LURJTMIESA-N -1 3 353.308 3.058 20 0 FGADHM Cc1noc(C)c1[C@H](C)Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000737535473 599057558 /nfs/dbraw/zinc/05/75/58/599057558.db2.gz AKSNYJRBGARICD-LURJTMIESA-N -1 3 353.308 3.058 20 0 FGADHM Cc1cccc(F)c1CNc1c(-c2nnn[n-]2)cnc2c(C)cc(F)cc21 ZINC000822309357 599068577 /nfs/dbraw/zinc/06/85/77/599068577.db2.gz VUWRNEOBWUMENX-UHFFFAOYSA-N -1 3 366.375 3.344 20 0 FGADHM Cc1cccc(F)c1CNc1c(-c2nn[n-]n2)cnc2c(C)cc(F)cc21 ZINC000822309357 599068581 /nfs/dbraw/zinc/06/85/81/599068581.db2.gz VUWRNEOBWUMENX-UHFFFAOYSA-N -1 3 366.375 3.344 20 0 FGADHM CCc1nc(C)c([C@H](C)N(C)C(=O)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000736698661 599078476 /nfs/dbraw/zinc/07/84/76/599078476.db2.gz HUEKBYVZYKMRDG-NSHDSACASA-N -1 3 356.455 3.027 20 0 FGADHM CCc1nc(C)c([C@H](C)N(C)C(=O)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000736698661 599078480 /nfs/dbraw/zinc/07/84/80/599078480.db2.gz HUEKBYVZYKMRDG-NSHDSACASA-N -1 3 356.455 3.027 20 0 FGADHM NC(=O)[C@H](Nc1ccc(-c2ccccc2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737738057 599085671 /nfs/dbraw/zinc/08/56/71/599085671.db2.gz UTBQIHBZGAHDGZ-LJQANCHMSA-N -1 3 370.416 3.172 20 0 FGADHM NC(=O)[C@H](Nc1ccc(-c2ccccc2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737738057 599085672 /nfs/dbraw/zinc/08/56/72/599085672.db2.gz UTBQIHBZGAHDGZ-LJQANCHMSA-N -1 3 370.416 3.172 20 0 FGADHM C[C@H]1CCC[C@H](C)N(C(=O)CSCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736245573 599086572 /nfs/dbraw/zinc/08/65/72/599086572.db2.gz SWNAFRMSCXVTNV-KBPBESRZSA-N -1 3 359.499 3.137 20 0 FGADHM C[C@H]1CCC[C@H](C)N(C(=O)CSCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736245573 599086575 /nfs/dbraw/zinc/08/65/75/599086575.db2.gz SWNAFRMSCXVTNV-KBPBESRZSA-N -1 3 359.499 3.137 20 0 FGADHM C[C@H]1CN(c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)[C@@H]1c1ccccc1 ZINC000820775493 599095180 /nfs/dbraw/zinc/09/51/80/599095180.db2.gz ILHMXDSHSBTCEY-HZMBPMFUSA-N -1 3 360.343 3.478 20 0 FGADHM C[C@H]1CN(c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)[C@@H]1c1ccccc1 ZINC000820775493 599095183 /nfs/dbraw/zinc/09/51/83/599095183.db2.gz ILHMXDSHSBTCEY-HZMBPMFUSA-N -1 3 360.343 3.478 20 0 FGADHM CC[C@H]1CN(c2c(-c3nnn[n-]3)cnc3c(C)cc(C)cc32)CCS1 ZINC000820993721 599101617 /nfs/dbraw/zinc/10/16/17/599101617.db2.gz ATFBSJXWWBVEMX-ZDUSSCGKSA-N -1 3 354.483 3.364 20 0 FGADHM CC[C@H]1CN(c2c(-c3nn[n-]n3)cnc3c(C)cc(C)cc32)CCS1 ZINC000820993721 599101619 /nfs/dbraw/zinc/10/16/19/599101619.db2.gz ATFBSJXWWBVEMX-ZDUSSCGKSA-N -1 3 354.483 3.364 20 0 FGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N1CCSC[C@H]1c1ccccc1 ZINC000738177685 599105201 /nfs/dbraw/zinc/10/52/01/599105201.db2.gz COCRBLFDOPOKDY-INIZCTEOSA-N -1 3 366.450 3.189 20 0 FGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N1CCSC[C@H]1c1ccccc1 ZINC000738177685 599105204 /nfs/dbraw/zinc/10/52/04/599105204.db2.gz COCRBLFDOPOKDY-INIZCTEOSA-N -1 3 366.450 3.189 20 0 FGADHM O[C@@H](C[C@H]1CCCN1c1ccc(F)cc1-c1nnn[n-]1)c1ccccc1 ZINC000823672681 599106508 /nfs/dbraw/zinc/10/65/08/599106508.db2.gz FXTHEULUQSUFAM-QAPCUYQASA-N -1 3 353.401 3.098 20 0 FGADHM O[C@@H](C[C@H]1CCCN1c1ccc(F)cc1-c1nn[n-]n1)c1ccccc1 ZINC000823672681 599106510 /nfs/dbraw/zinc/10/65/10/599106510.db2.gz FXTHEULUQSUFAM-QAPCUYQASA-N -1 3 353.401 3.098 20 0 FGADHM CC[C@@](C)(NC(=O)Nc1cccc(-c2nnn[n-]2)c1)c1nc(C)cs1 ZINC000736314074 599117253 /nfs/dbraw/zinc/11/72/53/599117253.db2.gz HZTZREQXNVXHSS-MRXNPFEDSA-N -1 3 357.443 3.079 20 0 FGADHM CC[C@@](C)(NC(=O)Nc1cccc(-c2nn[n-]n2)c1)c1nc(C)cs1 ZINC000736314074 599117257 /nfs/dbraw/zinc/11/72/57/599117257.db2.gz HZTZREQXNVXHSS-MRXNPFEDSA-N -1 3 357.443 3.079 20 0 FGADHM CCc1cnc(CSc2nc(C)cc(C(F)(F)F)c2-c2nnn[n-]2)o1 ZINC000821499155 599123121 /nfs/dbraw/zinc/12/31/21/599123121.db2.gz DQHXFTZZJJZXEW-UHFFFAOYSA-N -1 3 370.360 3.432 20 0 FGADHM COc1ccc2c(c1)nccc2OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737113836 599124047 /nfs/dbraw/zinc/12/40/47/599124047.db2.gz GYSRMLISQNOXFT-UHFFFAOYSA-N -1 3 351.341 3.142 20 0 FGADHM COc1ccc2c(c1)nccc2OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737113836 599124050 /nfs/dbraw/zinc/12/40/50/599124050.db2.gz GYSRMLISQNOXFT-UHFFFAOYSA-N -1 3 351.341 3.142 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)c1cc2cc(C)c(C)cc2o1 ZINC000821699136 599134851 /nfs/dbraw/zinc/13/48/51/599134851.db2.gz DCVBQRUGBMQXCS-UHFFFAOYSA-N -1 3 364.361 3.458 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)c1cc2cc(C)c(C)cc2o1 ZINC000821699136 599134854 /nfs/dbraw/zinc/13/48/54/599134854.db2.gz DCVBQRUGBMQXCS-UHFFFAOYSA-N -1 3 364.361 3.458 20 0 FGADHM Cc1cncc(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)nc2)c1 ZINC000822399639 599142639 /nfs/dbraw/zinc/14/26/39/599142639.db2.gz LPCLYHSCGBKFIK-UHFFFAOYSA-N -1 3 373.376 3.010 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H](C)CCc1cccc(F)c1 ZINC000821756269 599148515 /nfs/dbraw/zinc/14/85/15/599148515.db2.gz MWYANIQEYMGEHR-GFCCVEGCSA-N -1 3 369.400 3.222 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H](C)CCc1cccc(F)c1 ZINC000821756269 599148518 /nfs/dbraw/zinc/14/85/18/599148518.db2.gz MWYANIQEYMGEHR-GFCCVEGCSA-N -1 3 369.400 3.222 20 0 FGADHM C[C@H](OC(=O)C[C@@H]1OCCc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000736150343 599153035 /nfs/dbraw/zinc/15/30/35/599153035.db2.gz NDUKZDIFEMMXSD-UGSOOPFHSA-N -1 3 364.405 3.175 20 0 FGADHM C[C@H](OC(=O)C[C@@H]1OCCc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000736150343 599153036 /nfs/dbraw/zinc/15/30/36/599153036.db2.gz NDUKZDIFEMMXSD-UGSOOPFHSA-N -1 3 364.405 3.175 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)C[C@@H](C)c1cccc(F)c1 ZINC000737024589 599160795 /nfs/dbraw/zinc/16/07/95/599160795.db2.gz KTQMEVKXPBTLFD-LLVKDONJSA-N -1 3 356.357 3.114 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)C[C@@H](C)c1cccc(F)c1 ZINC000737024589 599160796 /nfs/dbraw/zinc/16/07/96/599160796.db2.gz KTQMEVKXPBTLFD-LLVKDONJSA-N -1 3 356.357 3.114 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H]1C[C@H]1c1c(F)cccc1F ZINC000737290220 599161516 /nfs/dbraw/zinc/16/15/16/599161516.db2.gz DIIFNPSQPKHKKL-NEPJUHHUSA-N -1 3 355.348 3.196 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H]1C[C@H]1c1c(F)cccc1F ZINC000737290220 599161518 /nfs/dbraw/zinc/16/15/18/599161518.db2.gz DIIFNPSQPKHKKL-NEPJUHHUSA-N -1 3 355.348 3.196 20 0 FGADHM O=C1[C@H](Sc2ccc(-c3nnn[n-]3)cc2F)CCN1c1ccccc1F ZINC000738294944 599170166 /nfs/dbraw/zinc/17/01/66/599170166.db2.gz GNJMSFWZQITEKG-OAHLLOKOSA-N -1 3 373.388 3.043 20 0 FGADHM O=C1[C@H](Sc2ccc(-c3nn[n-]n3)cc2F)CCN1c1ccccc1F ZINC000738294944 599170168 /nfs/dbraw/zinc/17/01/68/599170168.db2.gz GNJMSFWZQITEKG-OAHLLOKOSA-N -1 3 373.388 3.043 20 0 FGADHM Cc1nc(SCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)sc1C ZINC000737484541 599173498 /nfs/dbraw/zinc/17/34/98/599173498.db2.gz UYFTVOHXXRVENC-UHFFFAOYSA-N -1 3 371.451 3.282 20 0 FGADHM Cc1nc(SCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)sc1C ZINC000737484541 599173500 /nfs/dbraw/zinc/17/35/00/599173500.db2.gz UYFTVOHXXRVENC-UHFFFAOYSA-N -1 3 371.451 3.282 20 0 FGADHM Cc1cc(C)c(C=CC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1C ZINC000822194128 599173673 /nfs/dbraw/zinc/17/36/73/599173673.db2.gz KECFRZOKFNGIBJ-ALCCZGGFSA-N -1 3 365.412 3.261 20 0 FGADHM Cc1cc(C)c(C=CC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1C ZINC000822194128 599173676 /nfs/dbraw/zinc/17/36/76/599173676.db2.gz KECFRZOKFNGIBJ-ALCCZGGFSA-N -1 3 365.412 3.261 20 0 FGADHM C[C@@H](CCc1cccc(F)c1)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000820254130 599178152 /nfs/dbraw/zinc/17/81/52/599178152.db2.gz MXFPZDHIUIOCGL-LBPRGKRZSA-N -1 3 371.391 3.030 20 0 FGADHM C[C@@H](CCc1cccc(F)c1)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000820254130 599178156 /nfs/dbraw/zinc/17/81/56/599178156.db2.gz MXFPZDHIUIOCGL-LBPRGKRZSA-N -1 3 371.391 3.030 20 0 FGADHM CC(=CC(=O)NCc1cc(-c2nnn[n-]2)ccc1F)c1ccccc1Cl ZINC000819765743 599182771 /nfs/dbraw/zinc/18/27/71/599182771.db2.gz QXAJRJCABWQNHE-DHZHZOJOSA-N -1 3 371.803 3.379 20 0 FGADHM CC(=CC(=O)NCc1cc(-c2nn[n-]n2)ccc1F)c1ccccc1Cl ZINC000819765743 599182774 /nfs/dbraw/zinc/18/27/74/599182774.db2.gz QXAJRJCABWQNHE-DHZHZOJOSA-N -1 3 371.803 3.379 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CCc2ccccc2CC1 ZINC000738151370 599188955 /nfs/dbraw/zinc/18/89/55/599188955.db2.gz HIPIIGWBNMPCLL-UHFFFAOYSA-N -1 3 368.828 3.153 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CCc2ccccc2CC1 ZINC000738151370 599188958 /nfs/dbraw/zinc/18/89/58/599188958.db2.gz HIPIIGWBNMPCLL-UHFFFAOYSA-N -1 3 368.828 3.153 20 0 FGADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ncc(C(C)(C)C)s1 ZINC000820528280 599194147 /nfs/dbraw/zinc/19/41/47/599194147.db2.gz NDJCHKGHLMMBIE-JTQLQIEISA-N -1 3 372.454 3.027 20 0 FGADHM CC(C)(C)c1cnc(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)s1 ZINC000819965460 599194536 /nfs/dbraw/zinc/19/45/36/599194536.db2.gz HPNIDOBJGVWFAZ-CMDGGOBGSA-N -1 3 354.439 3.273 20 0 FGADHM CC(C)(C)c1cnc(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)s1 ZINC000819965460 599194538 /nfs/dbraw/zinc/19/45/38/599194538.db2.gz HPNIDOBJGVWFAZ-CMDGGOBGSA-N -1 3 354.439 3.273 20 0 FGADHM CCN(C)C(=O)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000736510335 599194899 /nfs/dbraw/zinc/19/48/99/599194899.db2.gz UVYRRCCLVRSEIO-UHFFFAOYSA-N -1 3 357.801 3.404 20 0 FGADHM CCN(C)C(=O)c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000736510335 599194901 /nfs/dbraw/zinc/19/49/01/599194901.db2.gz UVYRRCCLVRSEIO-UHFFFAOYSA-N -1 3 357.801 3.404 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cc2c(cc(F)cc2C)[nH]1 ZINC000737062797 599200079 /nfs/dbraw/zinc/20/00/79/599200079.db2.gz OTDDUIVVMCRFIC-UHFFFAOYSA-N -1 3 366.356 3.056 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc2c(cc(F)cc2C)[nH]1 ZINC000737062797 599200081 /nfs/dbraw/zinc/20/00/81/599200081.db2.gz OTDDUIVVMCRFIC-UHFFFAOYSA-N -1 3 366.356 3.056 20 0 FGADHM CC[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)cn1)C(C)(C)c1ccccc1 ZINC000736382994 599201483 /nfs/dbraw/zinc/20/14/83/599201483.db2.gz PDSZWYCIPWVMOF-MRXNPFEDSA-N -1 3 351.410 3.175 20 0 FGADHM CC[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)cn1)C(C)(C)c1ccccc1 ZINC000736382994 599201486 /nfs/dbraw/zinc/20/14/86/599201486.db2.gz PDSZWYCIPWVMOF-MRXNPFEDSA-N -1 3 351.410 3.175 20 0 FGADHM COCCN(C(=O)C[C@H]1CCC[C@H](C)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736988342 599205784 /nfs/dbraw/zinc/20/57/84/599205784.db2.gz KVIVSBUQMDPSQF-GJZGRUSLSA-N -1 3 357.458 3.063 20 0 FGADHM COCCN(C(=O)C[C@H]1CCC[C@H](C)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736988342 599205785 /nfs/dbraw/zinc/20/57/85/599205785.db2.gz KVIVSBUQMDPSQF-GJZGRUSLSA-N -1 3 357.458 3.063 20 0 FGADHM CCC(CC)c1cc(CNC(=O)CCc2ccc(-c3nnn[n-]3)cc2)on1 ZINC000736350379 599209948 /nfs/dbraw/zinc/20/99/48/599209948.db2.gz MQMDUOAFKXCTNK-UHFFFAOYSA-N -1 3 368.441 3.007 20 0 FGADHM CCC(CC)c1cc(CNC(=O)CCc2ccc(-c3nn[n-]n3)cc2)on1 ZINC000736350379 599209950 /nfs/dbraw/zinc/20/99/50/599209950.db2.gz MQMDUOAFKXCTNK-UHFFFAOYSA-N -1 3 368.441 3.007 20 0 FGADHM Cc1cc(F)cc2[nH]c(C(=O)OCc3cccc(-c4nnn[n-]4)c3)cc21 ZINC000737264351 599216709 /nfs/dbraw/zinc/21/67/09/599216709.db2.gz QHZWEEXQHSBEDA-UHFFFAOYSA-N -1 3 351.341 3.153 20 0 FGADHM Cc1cc(F)cc2[nH]c(C(=O)OCc3cccc(-c4nn[n-]n4)c3)cc21 ZINC000737264351 599216712 /nfs/dbraw/zinc/21/67/12/599216712.db2.gz QHZWEEXQHSBEDA-UHFFFAOYSA-N -1 3 351.341 3.153 20 0 FGADHM O=C(NCCC(F)(F)F)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000823181499 599216941 /nfs/dbraw/zinc/21/69/41/599216941.db2.gz AAIRXWNHGGOSLF-UHFFFAOYSA-N -1 3 361.327 3.216 20 0 FGADHM O=C(NCCC(F)(F)F)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000823181499 599216944 /nfs/dbraw/zinc/21/69/44/599216944.db2.gz AAIRXWNHGGOSLF-UHFFFAOYSA-N -1 3 361.327 3.216 20 0 FGADHM Cc1cc(F)cc2[nH]c(C(=O)OCc3cc(-c4nnn[n-]4)ccc3F)cc21 ZINC000737263076 599216987 /nfs/dbraw/zinc/21/69/87/599216987.db2.gz KGMPYCLXBOJYGT-UHFFFAOYSA-N -1 3 369.331 3.292 20 0 FGADHM Cc1cc(F)cc2[nH]c(C(=O)OCc3cc(-c4nn[n-]n4)ccc3F)cc21 ZINC000737263076 599216989 /nfs/dbraw/zinc/21/69/89/599216989.db2.gz KGMPYCLXBOJYGT-UHFFFAOYSA-N -1 3 369.331 3.292 20 0 FGADHM Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000822232996 599221864 /nfs/dbraw/zinc/22/18/64/599221864.db2.gz GDCKRUSIPVPPPC-WBMJQRKESA-N -1 3 351.410 3.382 20 0 FGADHM Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822232996 599221865 /nfs/dbraw/zinc/22/18/65/599221865.db2.gz GDCKRUSIPVPPPC-WBMJQRKESA-N -1 3 351.410 3.382 20 0 FGADHM COCc1nc(CSCc2ccc(F)cc2-c2nnn[n-]2)cs1 ZINC000821696930 599222978 /nfs/dbraw/zinc/22/29/78/599222978.db2.gz UXWXKTDUOIXYMO-UHFFFAOYSA-N -1 3 351.432 3.042 20 0 FGADHM COCc1nc(CSCc2ccc(F)cc2-c2nn[n-]n2)cs1 ZINC000821696930 599222979 /nfs/dbraw/zinc/22/29/79/599222979.db2.gz UXWXKTDUOIXYMO-UHFFFAOYSA-N -1 3 351.432 3.042 20 0 FGADHM C[C@H]1CN(C(=S)Nc2ccccc2-c2nnn[n-]2)[C@@H]1c1ccccc1 ZINC000820743724 599230561 /nfs/dbraw/zinc/23/05/61/599230561.db2.gz VBJVZAXSIFTTNW-LRDDRELGSA-N -1 3 350.451 3.257 20 0 FGADHM C[C@H]1CN(C(=S)Nc2ccccc2-c2nn[n-]n2)[C@@H]1c1ccccc1 ZINC000820743724 599230563 /nfs/dbraw/zinc/23/05/63/599230563.db2.gz VBJVZAXSIFTTNW-LRDDRELGSA-N -1 3 350.451 3.257 20 0 FGADHM CCS[C@@H]1CC[C@@H](N(C)C(=S)Nc2ccccc2-c2nnn[n-]2)C1 ZINC000821449424 599231270 /nfs/dbraw/zinc/23/12/70/599231270.db2.gz TWOYPKVFJWFEAF-VXGBXAGGSA-N -1 3 362.528 3.170 20 0 FGADHM CCS[C@@H]1CC[C@@H](N(C)C(=S)Nc2ccccc2-c2nn[n-]n2)C1 ZINC000821449424 599231272 /nfs/dbraw/zinc/23/12/72/599231272.db2.gz TWOYPKVFJWFEAF-VXGBXAGGSA-N -1 3 362.528 3.170 20 0 FGADHM Cc1c(NC(=O)C=Cc2nc3ccccc3s2)cccc1-c1nnn[n-]1 ZINC000822068940 607268772 /nfs/dbraw/zinc/26/87/72/607268772.db2.gz WXHLPATZWRHQER-MDZDMXLPSA-N -1 3 362.418 3.437 20 0 FGADHM Cc1c(NC(=O)C=Cc2nc3ccccc3s2)cccc1-c1nn[n-]n1 ZINC000822068940 607268773 /nfs/dbraw/zinc/26/87/73/607268773.db2.gz WXHLPATZWRHQER-MDZDMXLPSA-N -1 3 362.418 3.437 20 0 FGADHM CSc1cccc(NC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)c1 ZINC000821984466 599236129 /nfs/dbraw/zinc/23/61/29/599236129.db2.gz QSHBPHVPGMQVBL-UHFFFAOYSA-N -1 3 358.402 3.049 20 0 FGADHM CSc1cccc(NC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC000821984466 599236131 /nfs/dbraw/zinc/23/61/31/599236131.db2.gz QSHBPHVPGMQVBL-UHFFFAOYSA-N -1 3 358.402 3.049 20 0 FGADHM CCc1ccc(CSCC(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736687329 599237087 /nfs/dbraw/zinc/23/70/87/599237087.db2.gz AVZZTHOFMIOMKP-UHFFFAOYSA-N -1 3 353.451 3.301 20 0 FGADHM CCc1ccc(CSCC(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736687329 599237088 /nfs/dbraw/zinc/23/70/88/599237088.db2.gz AVZZTHOFMIOMKP-UHFFFAOYSA-N -1 3 353.451 3.301 20 0 FGADHM C[C@@H](NC(=S)N[C@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000820403402 599237363 /nfs/dbraw/zinc/23/73/63/599237363.db2.gz JOVQBJXEKLPANL-CHWSQXEVSA-N -1 3 352.467 3.153 20 0 FGADHM C[C@@H](NC(=S)N[C@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000820403402 599237366 /nfs/dbraw/zinc/23/73/66/599237366.db2.gz JOVQBJXEKLPANL-CHWSQXEVSA-N -1 3 352.467 3.153 20 0 FGADHM Cc1c(NC(=O)CSCc2ccc(F)cc2)cccc1-c1nnn[n-]1 ZINC000822075982 607270062 /nfs/dbraw/zinc/27/00/62/607270062.db2.gz KLTOUTGEBYGPCT-UHFFFAOYSA-N -1 3 357.414 3.186 20 0 FGADHM Cc1c(NC(=O)CSCc2ccc(F)cc2)cccc1-c1nn[n-]n1 ZINC000822075982 607270063 /nfs/dbraw/zinc/27/00/63/607270063.db2.gz KLTOUTGEBYGPCT-UHFFFAOYSA-N -1 3 357.414 3.186 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1c[nH]cc1-c1ccc(F)cc1 ZINC000738167205 599243062 /nfs/dbraw/zinc/24/30/62/599243062.db2.gz OZBLOLZPKICMEA-UHFFFAOYSA-N -1 3 366.331 3.392 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1c[nH]cc1-c1ccc(F)cc1 ZINC000738167205 599243064 /nfs/dbraw/zinc/24/30/64/599243064.db2.gz OZBLOLZPKICMEA-UHFFFAOYSA-N -1 3 366.331 3.392 20 0 FGADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C=Cc1ccnc2ccccc12 ZINC000736819293 599249084 /nfs/dbraw/zinc/24/90/84/599249084.db2.gz DJMQRFLUUPPVHZ-MDZDMXLPSA-N -1 3 370.416 3.087 20 0 FGADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C=Cc1ccnc2ccccc12 ZINC000736819293 599249086 /nfs/dbraw/zinc/24/90/86/599249086.db2.gz DJMQRFLUUPPVHZ-MDZDMXLPSA-N -1 3 370.416 3.087 20 0 FGADHM C[C@H]1Cc2ccccc2CN1C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820814010 599249850 /nfs/dbraw/zinc/24/98/50/599249850.db2.gz PGGCZQICNQVPKR-NSHDSACASA-N -1 3 368.828 3.499 20 0 FGADHM C[C@H]1Cc2ccccc2CN1C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820814010 599249853 /nfs/dbraw/zinc/24/98/53/599249853.db2.gz PGGCZQICNQVPKR-NSHDSACASA-N -1 3 368.828 3.499 20 0 FGADHM Cc1cccc(F)c1CNC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000822308742 599250922 /nfs/dbraw/zinc/25/09/22/599250922.db2.gz JFSQLJBDCPJVFV-UHFFFAOYSA-N -1 3 360.780 3.289 20 0 FGADHM Cc1cccc(F)c1CNC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000822308742 599250925 /nfs/dbraw/zinc/25/09/25/599250925.db2.gz JFSQLJBDCPJVFV-UHFFFAOYSA-N -1 3 360.780 3.289 20 0 FGADHM Fc1ccc(F)c2c1ncc(-c1nnn[n-]1)c2NCc1cccc(Cl)c1 ZINC000737658840 599253621 /nfs/dbraw/zinc/25/36/21/599253621.db2.gz IPKIDYIDFSRPCS-UHFFFAOYSA-N -1 3 372.766 3.381 20 0 FGADHM Fc1ccc(F)c2c1ncc(-c1nn[n-]n1)c2NCc1cccc(Cl)c1 ZINC000737658840 599253623 /nfs/dbraw/zinc/25/36/23/599253623.db2.gz IPKIDYIDFSRPCS-UHFFFAOYSA-N -1 3 372.766 3.381 20 0 FGADHM Cc1c(NC(=O)NCCc2ccc(Cl)s2)cccc1-c1nnn[n-]1 ZINC000822096693 607287666 /nfs/dbraw/zinc/28/76/66/607287666.db2.gz PRNRVZVFPQBKHT-UHFFFAOYSA-N -1 3 362.846 3.254 20 0 FGADHM Cc1c(NC(=O)NCCc2ccc(Cl)s2)cccc1-c1nn[n-]n1 ZINC000822096693 607287667 /nfs/dbraw/zinc/28/76/67/607287667.db2.gz PRNRVZVFPQBKHT-UHFFFAOYSA-N -1 3 362.846 3.254 20 0 FGADHM C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)Nc2ccccc2CC(=O)[O-])C1 ZINC000818071241 597341489 /nfs/dbraw/zinc/34/14/89/597341489.db2.gz LOJOTTATJZJTRJ-CRAIPNDOSA-N -1 3 367.449 3.271 20 0 FGADHM CCN(C(=O)Nc1cccc(-c2nnn[n-]2)c1C)[C@@H](C)c1cccc(O)c1 ZINC000821154050 607286069 /nfs/dbraw/zinc/28/60/69/607286069.db2.gz HYKMFVDJSHQNPT-ZDUSSCGKSA-N -1 3 366.425 3.496 20 0 FGADHM CCN(C(=O)Nc1cccc(-c2nn[n-]n2)c1C)[C@@H](C)c1cccc(O)c1 ZINC000821154050 607286070 /nfs/dbraw/zinc/28/60/70/607286070.db2.gz HYKMFVDJSHQNPT-ZDUSSCGKSA-N -1 3 366.425 3.496 20 0 FGADHM Cc1c(NC(=O)NCCCOC2CCCCC2)cccc1-c1nnn[n-]1 ZINC000822097391 607291004 /nfs/dbraw/zinc/29/10/04/607291004.db2.gz XTASLBDICPUXEC-UHFFFAOYSA-N -1 3 358.446 3.036 20 0 FGADHM Cc1c(NC(=O)NCCCOC2CCCCC2)cccc1-c1nn[n-]n1 ZINC000822097391 607291005 /nfs/dbraw/zinc/29/10/05/607291005.db2.gz XTASLBDICPUXEC-UHFFFAOYSA-N -1 3 358.446 3.036 20 0 FGADHM CCS[C@H]1CCCC[C@@H]1NC(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821454479 607291348 /nfs/dbraw/zinc/29/13/48/607291348.db2.gz GEDCPOORBNZJMS-GJZGRUSLSA-N -1 3 360.487 3.361 20 0 FGADHM CCS[C@H]1CCCC[C@@H]1NC(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821454479 607291349 /nfs/dbraw/zinc/29/13/49/607291349.db2.gz GEDCPOORBNZJMS-GJZGRUSLSA-N -1 3 360.487 3.361 20 0 FGADHM Cc1nc(-c2ccco2)ccc1C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000822424711 607294207 /nfs/dbraw/zinc/29/42/07/607294207.db2.gz ZXMDZAWPWUFSKY-UHFFFAOYSA-N -1 3 360.377 3.391 20 0 FGADHM Cc1nc(-c2ccco2)ccc1C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000822424711 607294208 /nfs/dbraw/zinc/29/42/08/607294208.db2.gz ZXMDZAWPWUFSKY-UHFFFAOYSA-N -1 3 360.377 3.391 20 0 FGADHM CCOC(=O)N(C)c1ccc(NCc2ccc(-c3nnn[n-]3)s2)cc1 ZINC000821335031 607309715 /nfs/dbraw/zinc/30/97/15/607309715.db2.gz WDJXOPYDTIENEK-UHFFFAOYSA-N -1 3 358.427 3.133 20 0 FGADHM C[C@@H]1CN(c2ccc(NCc3cc(-c4nnn[n-]4)cs3)cc2)C[C@H](C)O1 ZINC000820776671 607315002 /nfs/dbraw/zinc/31/50/02/607315002.db2.gz MFOIKAAMWGZOKI-BETUJISGSA-N -1 3 370.482 3.154 20 0 FGADHM C[C@@H]1CN(c2ccc(NCc3cc(-c4nn[n-]n4)cs3)cc2)C[C@H](C)O1 ZINC000820776671 607315003 /nfs/dbraw/zinc/31/50/03/607315003.db2.gz MFOIKAAMWGZOKI-BETUJISGSA-N -1 3 370.482 3.154 20 0 FGADHM CC[C@@](C)(NC(=O)Nc1cc(-c2nnn[n-]2)ccc1C)c1nc(C)cs1 ZINC000820852840 599270966 /nfs/dbraw/zinc/27/09/66/599270966.db2.gz HOVGQKAAFLWLAJ-QGZVFWFLSA-N -1 3 371.470 3.387 20 0 FGADHM CC[C@@](C)(NC(=O)Nc1cc(-c2nn[n-]n2)ccc1C)c1nc(C)cs1 ZINC000820852840 599270968 /nfs/dbraw/zinc/27/09/68/599270968.db2.gz HOVGQKAAFLWLAJ-QGZVFWFLSA-N -1 3 371.470 3.387 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NC[C@H](C)Cc1cccs1 ZINC000822220331 599271092 /nfs/dbraw/zinc/27/10/92/599271092.db2.gz MKQOGYAQQGCVQS-LLVKDONJSA-N -1 3 356.455 3.237 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NC[C@H](C)Cc1cccs1 ZINC000822220331 599271095 /nfs/dbraw/zinc/27/10/95/599271095.db2.gz MKQOGYAQQGCVQS-LLVKDONJSA-N -1 3 356.455 3.237 20 0 FGADHM CN(Cc1ccco1)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000821616024 599289620 /nfs/dbraw/zinc/28/96/20/599289620.db2.gz ZMVTZNQBFGNPNW-UHFFFAOYSA-N -1 3 366.303 3.142 20 0 FGADHM CN(Cc1ccco1)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821616024 599289622 /nfs/dbraw/zinc/28/96/22/599289622.db2.gz ZMVTZNQBFGNPNW-UHFFFAOYSA-N -1 3 366.303 3.142 20 0 FGADHM Clc1cccc(-c2nnn[n-]2)c1N[C@@H]1CCOC2(CCSCC2)C1 ZINC000822581103 607331240 /nfs/dbraw/zinc/33/12/40/607331240.db2.gz AWCYKIHYHDFMCW-LLVKDONJSA-N -1 3 365.890 3.377 20 0 FGADHM Clc1cccc(-c2nn[n-]n2)c1N[C@@H]1CCOC2(CCSCC2)C1 ZINC000822581103 607331241 /nfs/dbraw/zinc/33/12/41/607331241.db2.gz AWCYKIHYHDFMCW-LLVKDONJSA-N -1 3 365.890 3.377 20 0 FGADHM O=C(Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)c1ccc(=O)[nH]c1 ZINC000738182944 598231498 /nfs/dbraw/zinc/23/14/98/598231498.db2.gz GBERISZHWATXKR-UHFFFAOYSA-N -1 3 374.360 3.012 20 0 FGADHM O=C(Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)c1ccc(=O)[nH]c1 ZINC000738182944 598231499 /nfs/dbraw/zinc/23/14/99/598231499.db2.gz GBERISZHWATXKR-UHFFFAOYSA-N -1 3 374.360 3.012 20 0 FGADHM CC[C@H](CC(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1)C(C)C ZINC000736332957 598238049 /nfs/dbraw/zinc/23/80/49/598238049.db2.gz OUUSPNJKLPHIRO-OAHLLOKOSA-N -1 3 371.485 3.309 20 0 FGADHM CC[C@H](CC(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1)C(C)C ZINC000736332957 598238050 /nfs/dbraw/zinc/23/80/50/598238050.db2.gz OUUSPNJKLPHIRO-OAHLLOKOSA-N -1 3 371.485 3.309 20 0 FGADHM CC1CCN(c2ccc(CNc3ccc(-c4nn[n-]n4)cc3F)cn2)CC1 ZINC000736279755 598238916 /nfs/dbraw/zinc/23/89/16/598238916.db2.gz MECIEEDLYUWPPL-UHFFFAOYSA-N -1 3 367.432 3.249 20 0 FGADHM Cc1cc(C)c(-c2nnn[n-]2)c(NCCc2nc(C(C)(C)C)cs2)n1 ZINC000737239221 598244902 /nfs/dbraw/zinc/24/49/02/598244902.db2.gz BIUJZNONPHFQTJ-UHFFFAOYSA-N -1 3 357.487 3.287 20 0 FGADHM Cc1cc(C)c(-c2nn[n-]n2)c(NCCc2nc(C(C)(C)C)cs2)n1 ZINC000737239221 598244904 /nfs/dbraw/zinc/24/49/04/598244904.db2.gz BIUJZNONPHFQTJ-UHFFFAOYSA-N -1 3 357.487 3.287 20 0 FGADHM CCOC(=O)[C@H](C)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000736586025 598273531 /nfs/dbraw/zinc/27/35/31/598273531.db2.gz LHZUIVRCARINHY-ZDUSSCGKSA-N -1 3 367.409 3.331 20 0 FGADHM CCOC(=O)[C@H](C)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000736586025 598273532 /nfs/dbraw/zinc/27/35/32/598273532.db2.gz LHZUIVRCARINHY-ZDUSSCGKSA-N -1 3 367.409 3.331 20 0 FGADHM COc1ccccc1OCCSCCOc1ccccc1-c1nnn[n-]1 ZINC000737155232 598273546 /nfs/dbraw/zinc/27/35/46/598273546.db2.gz DHYUDXDVHABNTN-UHFFFAOYSA-N -1 3 372.450 3.066 20 0 FGADHM COc1ccccc1OCCSCCOc1ccccc1-c1nn[n-]n1 ZINC000737155232 598273547 /nfs/dbraw/zinc/27/35/47/598273547.db2.gz DHYUDXDVHABNTN-UHFFFAOYSA-N -1 3 372.450 3.066 20 0 FGADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)c1nc(C(F)F)nc2ccccc21 ZINC000736817198 598276862 /nfs/dbraw/zinc/27/68/62/598276862.db2.gz UODMMTWCUZAKKY-UHFFFAOYSA-N -1 3 367.363 3.384 20 0 FGADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)c1nc(C(F)F)nc2ccccc21 ZINC000736817198 598276863 /nfs/dbraw/zinc/27/68/63/598276863.db2.gz UODMMTWCUZAKKY-UHFFFAOYSA-N -1 3 367.363 3.384 20 0 FGADHM C[C@@H](NC(=O)[C@H]1CCCc2sccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000820321814 607347143 /nfs/dbraw/zinc/34/71/43/607347143.db2.gz MTXPNXDTNMOIHP-ABAIWWIYSA-N -1 3 353.451 3.226 20 0 FGADHM C[C@@H](NC(=O)[C@H]1CCCc2sccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000820321814 607347145 /nfs/dbraw/zinc/34/71/45/607347145.db2.gz MTXPNXDTNMOIHP-ABAIWWIYSA-N -1 3 353.451 3.226 20 0 FGADHM COCc1cccc(NC(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)c1 ZINC000737017822 598278656 /nfs/dbraw/zinc/27/86/56/598278656.db2.gz SEDAWLKXIQVZOU-UHFFFAOYSA-N -1 3 369.429 3.214 20 0 FGADHM COCc1cccc(NC(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)c1 ZINC000737017822 598278657 /nfs/dbraw/zinc/27/86/57/598278657.db2.gz SEDAWLKXIQVZOU-UHFFFAOYSA-N -1 3 369.429 3.214 20 0 FGADHM CN(C(=O)CCc1cccc(Cl)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000736731807 598281371 /nfs/dbraw/zinc/28/13/71/598281371.db2.gz HXUOMLWMIHTEMC-UHFFFAOYSA-N -1 3 359.792 3.255 20 0 FGADHM CN(C(=O)CCc1cccc(Cl)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736731807 598281372 /nfs/dbraw/zinc/28/13/72/598281372.db2.gz HXUOMLWMIHTEMC-UHFFFAOYSA-N -1 3 359.792 3.255 20 0 FGADHM CC[C@H](NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC)C1CCCCC1 ZINC000736365560 598292230 /nfs/dbraw/zinc/29/22/30/598292230.db2.gz WWCZABTVHJLQJD-AWEZNQCLSA-N -1 3 358.446 3.356 20 0 FGADHM CC[C@H](NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC)C1CCCCC1 ZINC000736365560 598292232 /nfs/dbraw/zinc/29/22/32/598292232.db2.gz WWCZABTVHJLQJD-AWEZNQCLSA-N -1 3 358.446 3.356 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N(C)CCC1CCCCC1 ZINC000737060050 598292382 /nfs/dbraw/zinc/29/23/82/598292382.db2.gz ZJZXLIOGBKFKAG-UHFFFAOYSA-N -1 3 358.446 3.309 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N(C)CCC1CCCCC1 ZINC000737060050 598292383 /nfs/dbraw/zinc/29/23/83/598292383.db2.gz ZJZXLIOGBKFKAG-UHFFFAOYSA-N -1 3 358.446 3.309 20 0 FGADHM CSc1cccc(N(C)C(=O)C=Cc2ccccc2-c2nnn[n-]2)c1 ZINC000737190323 598297420 /nfs/dbraw/zinc/29/74/20/598297420.db2.gz FUJHDCPJTCZPCU-ZHACJKMWSA-N -1 3 351.435 3.265 20 0 FGADHM CSc1cccc(N(C)C(=O)C=Cc2ccccc2-c2nn[n-]n2)c1 ZINC000737190323 598297421 /nfs/dbraw/zinc/29/74/21/598297421.db2.gz FUJHDCPJTCZPCU-ZHACJKMWSA-N -1 3 351.435 3.265 20 0 FGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)c1cc2sccc2s1 ZINC000738102074 598301486 /nfs/dbraw/zinc/30/14/86/598301486.db2.gz MHJKCBNDRHAWHG-UHFFFAOYSA-N -1 3 359.411 3.212 20 0 FGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)c1cc2sccc2s1 ZINC000738102074 598301488 /nfs/dbraw/zinc/30/14/88/598301488.db2.gz MHJKCBNDRHAWHG-UHFFFAOYSA-N -1 3 359.411 3.212 20 0 FGADHM Cc1cccc(C2(C(=O)NCc3ccc(-c4nnn[n-]4)cc3F)CCC2)c1 ZINC000737390154 598302202 /nfs/dbraw/zinc/30/22/02/598302202.db2.gz QMHWHTSXRPKXMD-UHFFFAOYSA-N -1 3 365.412 3.052 20 0 FGADHM Cc1cccc(C2(C(=O)NCc3ccc(-c4nn[n-]n4)cc3F)CCC2)c1 ZINC000737390154 598302203 /nfs/dbraw/zinc/30/22/03/598302203.db2.gz QMHWHTSXRPKXMD-UHFFFAOYSA-N -1 3 365.412 3.052 20 0 FGADHM Cc1ccc(CCC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1Cl ZINC000737337505 598303264 /nfs/dbraw/zinc/30/32/64/598303264.db2.gz DYUIYGKBYNYTNJ-UHFFFAOYSA-N -1 3 373.819 3.217 20 0 FGADHM Cc1ccc(CCC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1Cl ZINC000737337505 598303265 /nfs/dbraw/zinc/30/32/65/598303265.db2.gz DYUIYGKBYNYTNJ-UHFFFAOYSA-N -1 3 373.819 3.217 20 0 FGADHM Fc1ccc(CNC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000737649326 598317490 /nfs/dbraw/zinc/31/74/90/598317490.db2.gz NFEKYTYPWFWEIV-UHFFFAOYSA-N -1 3 362.821 3.146 20 0 FGADHM Fc1ccc(CNC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000737649326 598317492 /nfs/dbraw/zinc/31/74/92/598317492.db2.gz NFEKYTYPWFWEIV-UHFFFAOYSA-N -1 3 362.821 3.146 20 0 FGADHM C[C@H]1CCC[C@@H](NC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000736255817 598318186 /nfs/dbraw/zinc/31/81/86/598318186.db2.gz WQMOBBUZQLZZFW-VHSXEESVSA-N -1 3 350.879 3.385 20 0 FGADHM C[C@H]1CCC[C@@H](NC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000736255817 598318188 /nfs/dbraw/zinc/31/81/88/598318188.db2.gz WQMOBBUZQLZZFW-VHSXEESVSA-N -1 3 350.879 3.385 20 0 FGADHM C[C@@H]1CCC[C@H](NC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000736255820 598318441 /nfs/dbraw/zinc/31/84/41/598318441.db2.gz WQMOBBUZQLZZFW-ZJUUUORDSA-N -1 3 350.879 3.385 20 0 FGADHM C[C@@H]1CCC[C@H](NC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000736255820 598318443 /nfs/dbraw/zinc/31/84/43/598318443.db2.gz WQMOBBUZQLZZFW-ZJUUUORDSA-N -1 3 350.879 3.385 20 0 FGADHM CO[C@@H](C)c1cccc(NC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000736964511 598324173 /nfs/dbraw/zinc/32/41/73/598324173.db2.gz XPKQQXULOUJGNE-NSHDSACASA-N -1 3 370.388 3.035 20 0 FGADHM CO[C@@H](C)c1cccc(NC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000736964511 598324174 /nfs/dbraw/zinc/32/41/74/598324174.db2.gz XPKQQXULOUJGNE-NSHDSACASA-N -1 3 370.388 3.035 20 0 FGADHM C[C@H](NC(=O)[C@H]1CCCc2sccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820323587 607352124 /nfs/dbraw/zinc/35/21/24/607352124.db2.gz YIUAFHMZOYNNBL-NHYWBVRUSA-N -1 3 353.451 3.226 20 0 FGADHM C[C@H](NC(=O)[C@H]1CCCc2sccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820323587 607352126 /nfs/dbraw/zinc/35/21/26/607352126.db2.gz YIUAFHMZOYNNBL-NHYWBVRUSA-N -1 3 353.451 3.226 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC2(CCCCC2)CC1 ZINC000737064712 598360405 /nfs/dbraw/zinc/36/04/05/598360405.db2.gz YKJACIQMJGZRBK-UHFFFAOYSA-N -1 3 370.457 3.454 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC2(CCCCC2)CC1 ZINC000737064712 598360407 /nfs/dbraw/zinc/36/04/07/598360407.db2.gz YKJACIQMJGZRBK-UHFFFAOYSA-N -1 3 370.457 3.454 20 0 FGADHM Clc1cc(-c2nnn[n-]2)cnc1NCc1sccc1Br ZINC000737559482 598392554 /nfs/dbraw/zinc/39/25/54/598392554.db2.gz YYTZURSVPNKAHW-UHFFFAOYSA-N -1 3 371.651 3.351 20 0 FGADHM Clc1cc(-c2nn[n-]n2)cnc1NCc1sccc1Br ZINC000737559482 598392555 /nfs/dbraw/zinc/39/25/55/598392555.db2.gz YYTZURSVPNKAHW-UHFFFAOYSA-N -1 3 371.651 3.351 20 0 FGADHM CC(C)COc1ccc(CC(=O)N(C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735837634 598395521 /nfs/dbraw/zinc/39/55/21/598395521.db2.gz KZMULKCNOBSNSR-UHFFFAOYSA-N -1 3 365.437 3.107 20 0 FGADHM CC(C)COc1ccc(CC(=O)N(C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735837634 598395523 /nfs/dbraw/zinc/39/55/23/598395523.db2.gz KZMULKCNOBSNSR-UHFFFAOYSA-N -1 3 365.437 3.107 20 0 FGADHM COc1ccccc1C/C(C)=C/C(=O)N(C)c1cccc(-c2nnn[n-]2)c1 ZINC000737152728 598396045 /nfs/dbraw/zinc/39/60/45/598396045.db2.gz MRUKTCAUAONYGK-WYMLVPIESA-N -1 3 363.421 3.027 20 0 FGADHM COc1ccccc1C/C(C)=C/C(=O)N(C)c1cccc(-c2nn[n-]n2)c1 ZINC000737152728 598396046 /nfs/dbraw/zinc/39/60/46/598396046.db2.gz MRUKTCAUAONYGK-WYMLVPIESA-N -1 3 363.421 3.027 20 0 FGADHM CC(C)[C@@H](Sc1ccccc1)C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000735735283 598416162 /nfs/dbraw/zinc/41/61/62/598416162.db2.gz NRZLJNIQIHKVOO-QGZVFWFLSA-N -1 3 367.478 3.300 20 0 FGADHM CC(C)[C@@H](Sc1ccccc1)C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000735735283 598416163 /nfs/dbraw/zinc/41/61/63/598416163.db2.gz NRZLJNIQIHKVOO-QGZVFWFLSA-N -1 3 367.478 3.300 20 0 FGADHM COc1ccccc1C[C@H](C)CC(=O)OCc1cccc(-c2nnn[n-]2)c1 ZINC000737151881 598431450 /nfs/dbraw/zinc/43/14/50/598431450.db2.gz GOXZMDYPVMPQOB-AWEZNQCLSA-N -1 3 366.421 3.187 20 0 FGADHM COc1ccccc1C[C@H](C)CC(=O)OCc1cccc(-c2nn[n-]n2)c1 ZINC000737151881 598431451 /nfs/dbraw/zinc/43/14/51/598431451.db2.gz GOXZMDYPVMPQOB-AWEZNQCLSA-N -1 3 366.421 3.187 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N1CC[C@H](c2ccccc2F)C1 ZINC000738162142 598432504 /nfs/dbraw/zinc/43/25/04/598432504.db2.gz JFVFILBRQGHYKU-NSHDSACASA-N -1 3 370.363 3.166 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N1CC[C@H](c2ccccc2F)C1 ZINC000738162142 598432505 /nfs/dbraw/zinc/43/25/05/598432505.db2.gz JFVFILBRQGHYKU-NSHDSACASA-N -1 3 370.363 3.166 20 0 FGADHM O=C(Nc1nc2c(ccc3ccccc23)s1)c1ccc(-c2nnn[n-]2)cn1 ZINC000738212650 598437669 /nfs/dbraw/zinc/43/76/69/598437669.db2.gz SQOIAIYHKZCHFA-UHFFFAOYSA-N -1 3 373.401 3.277 20 0 FGADHM O=C(Nc1nc2c(ccc3ccccc23)s1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738212650 598437671 /nfs/dbraw/zinc/43/76/71/598437671.db2.gz SQOIAIYHKZCHFA-UHFFFAOYSA-N -1 3 373.401 3.277 20 0 FGADHM CCN(C(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1)[C@H]1CCCC[C@@H]1C ZINC000736502073 598445251 /nfs/dbraw/zinc/44/52/51/598445251.db2.gz JLROYVIPRGDOKI-ZQIUZPCESA-N -1 3 357.458 3.061 20 0 FGADHM O=C(OCc1ccccc1-c1nnn[n-]1)c1cc(F)c(Cl)nc1Cl ZINC000738235786 598473866 /nfs/dbraw/zinc/47/38/66/598473866.db2.gz WOCITIZZKLWTQH-UHFFFAOYSA-N -1 3 368.155 3.065 20 0 FGADHM O=C(OCc1ccccc1-c1nn[n-]n1)c1cc(F)c(Cl)nc1Cl ZINC000738235786 598473867 /nfs/dbraw/zinc/47/38/67/598473867.db2.gz WOCITIZZKLWTQH-UHFFFAOYSA-N -1 3 368.155 3.065 20 0 FGADHM CC(C)Oc1ccc(F)cc1NC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000735914082 598475704 /nfs/dbraw/zinc/47/57/04/598475704.db2.gz HWLSSEOJYOKMOO-UHFFFAOYSA-N -1 3 370.388 3.115 20 0 FGADHM CC(C)Oc1ccc(F)cc1NC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000735914082 598475706 /nfs/dbraw/zinc/47/57/06/598475706.db2.gz HWLSSEOJYOKMOO-UHFFFAOYSA-N -1 3 370.388 3.115 20 0 FGADHM CC(C)(C)SCCNC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000735644116 598479293 /nfs/dbraw/zinc/47/92/93/598479293.db2.gz VNSQXLWCRMTQQC-UHFFFAOYSA-N -1 3 374.514 3.072 20 0 FGADHM CC(C)(C)SCCNC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000735644116 598479294 /nfs/dbraw/zinc/47/92/94/598479294.db2.gz VNSQXLWCRMTQQC-UHFFFAOYSA-N -1 3 374.514 3.072 20 0 FGADHM Cc1cc(C)c(C)c(OCCC(=O)OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737247228 598485638 /nfs/dbraw/zinc/48/56/38/598485638.db2.gz SUQYUCJPTIFHJL-UHFFFAOYSA-N -1 3 366.421 3.304 20 0 FGADHM Cc1cc(C)c(C)c(OCCC(=O)OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737247228 598485639 /nfs/dbraw/zinc/48/56/39/598485639.db2.gz SUQYUCJPTIFHJL-UHFFFAOYSA-N -1 3 366.421 3.304 20 0 FGADHM C[C@H](OC(=O)c1cnc(Cl)c(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000736162059 598486511 /nfs/dbraw/zinc/48/65/11/598486511.db2.gz FYILLHORRGVNQV-QMMMGPOBSA-N -1 3 364.192 3.487 20 0 FGADHM C[C@H](OC(=O)c1cnc(Cl)c(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000736162059 598486514 /nfs/dbraw/zinc/48/65/14/598486514.db2.gz FYILLHORRGVNQV-QMMMGPOBSA-N -1 3 364.192 3.487 20 0 FGADHM C[C@H](OC(=O)c1ccc(C(F)(F)F)nc1)c1cccc(-c2nnn[n-]2)c1 ZINC000736159113 598488959 /nfs/dbraw/zinc/48/89/59/598488959.db2.gz USCHBAKANBJFGB-VIFPVBQESA-N -1 3 363.299 3.199 20 0 FGADHM C[C@H](OC(=O)c1ccc(C(F)(F)F)nc1)c1cccc(-c2nn[n-]n2)c1 ZINC000736159113 598488961 /nfs/dbraw/zinc/48/89/61/598488961.db2.gz USCHBAKANBJFGB-VIFPVBQESA-N -1 3 363.299 3.199 20 0 FGADHM C[C@@H](OC(=O)CSc1ccc(F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000736154762 598489018 /nfs/dbraw/zinc/48/90/18/598489018.db2.gz BRMWLKIOCYDMSQ-LLVKDONJSA-N -1 3 358.398 3.402 20 0 FGADHM C[C@@H](OC(=O)CSc1ccc(F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000736154762 598489020 /nfs/dbraw/zinc/48/90/20/598489020.db2.gz BRMWLKIOCYDMSQ-LLVKDONJSA-N -1 3 358.398 3.402 20 0 FGADHM Cc1cccc(O[C@H](C)C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)c1 ZINC000737401285 598489113 /nfs/dbraw/zinc/48/91/13/598489113.db2.gz MXOATYRVSLUGJJ-CYBMUJFWSA-N -1 3 368.441 3.138 20 0 FGADHM Cc1cccc(O[C@H](C)C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)c1 ZINC000737401285 598489115 /nfs/dbraw/zinc/48/91/15/598489115.db2.gz MXOATYRVSLUGJJ-CYBMUJFWSA-N -1 3 368.441 3.138 20 0 FGADHM C[C@H](OC(=O)c1ccc(C(F)(F)F)cn1)c1cccc(-c2nnn[n-]2)c1 ZINC000736158824 598489187 /nfs/dbraw/zinc/48/91/87/598489187.db2.gz SKPRQDCIFGEWMT-VIFPVBQESA-N -1 3 363.299 3.199 20 0 FGADHM C[C@H](OC(=O)c1ccc(C(F)(F)F)cn1)c1cccc(-c2nn[n-]n2)c1 ZINC000736158824 598489188 /nfs/dbraw/zinc/48/91/88/598489188.db2.gz SKPRQDCIFGEWMT-VIFPVBQESA-N -1 3 363.299 3.199 20 0 FGADHM COc1ccc(CCC(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737086736 598490587 /nfs/dbraw/zinc/49/05/87/598490587.db2.gz IZTCLAXVLFXQKT-CYBMUJFWSA-N -1 3 352.394 3.112 20 0 FGADHM COc1ccc(CCC(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737086736 598490588 /nfs/dbraw/zinc/49/05/88/598490588.db2.gz IZTCLAXVLFXQKT-CYBMUJFWSA-N -1 3 352.394 3.112 20 0 FGADHM Cc1cccc(O[C@@H](C)C(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000737401648 598492359 /nfs/dbraw/zinc/49/23/59/598492359.db2.gz ONBZYQSWIUTGNQ-KGLIPLIRSA-N -1 3 352.394 3.247 20 0 FGADHM Cc1cccc(O[C@@H](C)C(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737401648 598492360 /nfs/dbraw/zinc/49/23/60/598492360.db2.gz ONBZYQSWIUTGNQ-KGLIPLIRSA-N -1 3 352.394 3.247 20 0 FGADHM COc1cc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)ccc1C ZINC000737042232 598493304 /nfs/dbraw/zinc/49/33/04/598493304.db2.gz PAOHLYJRMXEDTI-UHFFFAOYSA-N -1 3 369.450 3.376 20 0 FGADHM COc1cc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)ccc1C ZINC000737042232 598493305 /nfs/dbraw/zinc/49/33/05/598493305.db2.gz PAOHLYJRMXEDTI-UHFFFAOYSA-N -1 3 369.450 3.376 20 0 FGADHM Cc1nc(CC(C)C)sc1C(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000737293300 598498816 /nfs/dbraw/zinc/49/88/16/598498816.db2.gz AQDZONDXNRVFBC-UHFFFAOYSA-N -1 3 356.455 3.391 20 0 FGADHM Cc1nc(CC(C)C)sc1C(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000737293300 598498818 /nfs/dbraw/zinc/49/88/18/598498818.db2.gz AQDZONDXNRVFBC-UHFFFAOYSA-N -1 3 356.455 3.391 20 0 FGADHM CCSc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cn1 ZINC000736667423 598513891 /nfs/dbraw/zinc/51/38/91/598513891.db2.gz PYSMZKFYOKKMCJ-UHFFFAOYSA-N -1 3 360.830 3.279 20 0 FGADHM CCSc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cn1 ZINC000736667423 598513893 /nfs/dbraw/zinc/51/38/93/598513893.db2.gz PYSMZKFYOKKMCJ-UHFFFAOYSA-N -1 3 360.830 3.279 20 0 FGADHM CC(C)CCCNC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000735796945 598540000 /nfs/dbraw/zinc/54/00/00/598540000.db2.gz KRUAWFIOKOJEQI-UHFFFAOYSA-N -1 3 369.425 3.205 20 0 FGADHM Cc1ccc(C)c(CC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)c1 ZINC000737321550 598541073 /nfs/dbraw/zinc/54/10/73/598541073.db2.gz FYTATIRRTQFBEC-UHFFFAOYSA-N -1 3 363.465 3.463 20 0 FGADHM Cc1ccc(C)c(CC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)c1 ZINC000737321550 598541074 /nfs/dbraw/zinc/54/10/74/598541074.db2.gz FYTATIRRTQFBEC-UHFFFAOYSA-N -1 3 363.465 3.463 20 0 FGADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)c1cccc(Cl)c1 ZINC000738147525 598547372 /nfs/dbraw/zinc/54/73/72/598547372.db2.gz YELXXLLXZDLSKK-UHFFFAOYSA-N -1 3 365.727 3.374 20 0 FGADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)c1cccc(Cl)c1 ZINC000738147525 598547373 /nfs/dbraw/zinc/54/73/73/598547373.db2.gz YELXXLLXZDLSKK-UHFFFAOYSA-N -1 3 365.727 3.374 20 0 FGADHM CCCNC(=S)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736489223 598551559 /nfs/dbraw/zinc/55/15/59/598551559.db2.gz YMANFDKBILZZMY-UHFFFAOYSA-N -1 3 354.439 3.355 20 0 FGADHM CCCNC(=S)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736489223 598551558 /nfs/dbraw/zinc/55/15/58/598551558.db2.gz YMANFDKBILZZMY-UHFFFAOYSA-N -1 3 354.439 3.355 20 0 FGADHM Cc1ccc(CN(C)C(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000737338264 598556258 /nfs/dbraw/zinc/55/62/58/598556258.db2.gz ZOCUHHJJQGCLHQ-LBPRGKRZSA-N -1 3 356.455 3.139 20 0 FGADHM Cc1ccc(CN(C)C(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000737338264 598556259 /nfs/dbraw/zinc/55/62/59/598556259.db2.gz ZOCUHHJJQGCLHQ-LBPRGKRZSA-N -1 3 356.455 3.139 20 0 FGADHM C[C@@H]1CCC[C@H](NC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)C1 ZINC000736261290 598561412 /nfs/dbraw/zinc/56/14/12/598561412.db2.gz NIKVUQPYPKANCL-KOLCDFICSA-N -1 3 366.372 3.168 20 0 FGADHM C[C@@H]1CCC[C@H](NC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)C1 ZINC000736261290 598561414 /nfs/dbraw/zinc/56/14/14/598561414.db2.gz NIKVUQPYPKANCL-KOLCDFICSA-N -1 3 366.372 3.168 20 0 FGADHM COc1ccc(Cl)cc1Cn1ccc(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000737100036 598567761 /nfs/dbraw/zinc/56/77/61/598567761.db2.gz PWGCSHWEINWFKN-UHFFFAOYSA-N -1 3 366.812 3.441 20 0 FGADHM COc1ccc(Cl)cc1Cn1ccc(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737100036 598567762 /nfs/dbraw/zinc/56/77/62/598567762.db2.gz PWGCSHWEINWFKN-UHFFFAOYSA-N -1 3 366.812 3.441 20 0 FGADHM FC(F)(F)c1cc(NC[C@@H]2CC2(Cl)Cl)ccc1-c1nnn[n-]1 ZINC000737634011 598572462 /nfs/dbraw/zinc/57/24/62/598572462.db2.gz XNBCQUSLTZGEDS-LURJTMIESA-N -1 3 352.147 3.491 20 0 FGADHM FC(F)(F)c1cc(NC[C@@H]2CC2(Cl)Cl)ccc1-c1nn[n-]n1 ZINC000737634011 598572463 /nfs/dbraw/zinc/57/24/63/598572463.db2.gz XNBCQUSLTZGEDS-LURJTMIESA-N -1 3 352.147 3.491 20 0 FGADHM CCCc1cc(C(=O)OCC(=O)c2cccc(-c3nnn[n-]3)c2)sc1C ZINC000825348024 607359045 /nfs/dbraw/zinc/35/90/45/607359045.db2.gz AQSQFMIOEUQIJH-UHFFFAOYSA-N -1 3 370.434 3.229 20 0 FGADHM CCCc1cc(C(=O)OCC(=O)c2cccc(-c3nn[n-]n3)c2)sc1C ZINC000825348024 607359047 /nfs/dbraw/zinc/35/90/47/607359047.db2.gz AQSQFMIOEUQIJH-UHFFFAOYSA-N -1 3 370.434 3.229 20 0 FGADHM C[C@@]1(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CCCc2ccccc21 ZINC000736205105 598583416 /nfs/dbraw/zinc/58/34/16/598583416.db2.gz XMUCOLCWPMLFPH-LJQANCHMSA-N -1 3 351.385 3.239 20 0 FGADHM C[C@@]1(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)CCCc2ccccc21 ZINC000736205105 598583419 /nfs/dbraw/zinc/58/34/19/598583419.db2.gz XMUCOLCWPMLFPH-LJQANCHMSA-N -1 3 351.385 3.239 20 0 FGADHM Cc1oc(-c2cccs2)nc1C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737549495 598586486 /nfs/dbraw/zinc/58/64/86/598586486.db2.gz YGQSTEVCISUVIA-UHFFFAOYSA-N -1 3 370.369 3.283 20 0 FGADHM Cc1oc(-c2cccs2)nc1C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737549495 598586488 /nfs/dbraw/zinc/58/64/88/598586488.db2.gz YGQSTEVCISUVIA-UHFFFAOYSA-N -1 3 370.369 3.283 20 0 FGADHM CCC[C@@H](NC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1)C1CCCCC1 ZINC000736425180 598593076 /nfs/dbraw/zinc/59/30/76/598593076.db2.gz DTRPCNDHHZJRPO-KBXCAEBGSA-N -1 3 371.485 3.499 20 0 FGADHM O=C1[C@H](SCc2ccc(F)cc2-c2nnn[n-]2)CCN1c1ccccc1 ZINC000738296033 598597484 /nfs/dbraw/zinc/59/74/84/598597484.db2.gz JDPJQAWQNNBVBX-MRXNPFEDSA-N -1 3 369.425 3.045 20 0 FGADHM O=C1[C@H](SCc2ccc(F)cc2-c2nn[n-]n2)CCN1c1ccccc1 ZINC000738296033 598597486 /nfs/dbraw/zinc/59/74/86/598597486.db2.gz JDPJQAWQNNBVBX-MRXNPFEDSA-N -1 3 369.425 3.045 20 0 FGADHM Fc1ccc(-c2cnc(CNc3ccc(F)c(-c4nnn[n-]4)c3)o2)cc1 ZINC000737650451 598602706 /nfs/dbraw/zinc/60/27/06/598602706.db2.gz IKNVZFVXJATPMR-UHFFFAOYSA-N -1 3 354.320 3.412 20 0 FGADHM Fc1ccc(-c2cnc(CNc3ccc(F)c(-c4nn[n-]n4)c3)o2)cc1 ZINC000737650451 598602708 /nfs/dbraw/zinc/60/27/08/598602708.db2.gz IKNVZFVXJATPMR-UHFFFAOYSA-N -1 3 354.320 3.412 20 0 FGADHM Fc1ccc(NCc2nc(-c3cccc(Cl)c3)no2)cc1-c1nnn[n-]1 ZINC000737656127 598603854 /nfs/dbraw/zinc/60/38/54/598603854.db2.gz JKJMDRXHLINXNO-UHFFFAOYSA-N -1 3 371.763 3.321 20 0 FGADHM Fc1ccc(NCc2nc(-c3cccc(Cl)c3)no2)cc1-c1nn[n-]n1 ZINC000737656127 598603856 /nfs/dbraw/zinc/60/38/56/598603856.db2.gz JKJMDRXHLINXNO-UHFFFAOYSA-N -1 3 371.763 3.321 20 0 FGADHM c1ccc(-c2nnn[n-]2)c(COc2ccc(-c3nc(C4CC4)no3)cc2)c1 ZINC000738424341 598610373 /nfs/dbraw/zinc/61/03/73/598610373.db2.gz ZTOCAMYZMMPUIH-UHFFFAOYSA-N -1 3 360.377 3.373 20 0 FGADHM c1ccc(-c2nn[n-]n2)c(COc2ccc(-c3nc(C4CC4)no3)cc2)c1 ZINC000738424341 598610374 /nfs/dbraw/zinc/61/03/74/598610374.db2.gz ZTOCAMYZMMPUIH-UHFFFAOYSA-N -1 3 360.377 3.373 20 0 FGADHM C[C@@H]1C[C@H]1c1ccc(CNC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)o1 ZINC000736235259 598628679 /nfs/dbraw/zinc/62/86/79/598628679.db2.gz FHMJADWOPGJQAX-BXKDBHETSA-N -1 3 356.361 3.044 20 0 FGADHM C[C@@H]1C[C@H]1c1ccc(CNC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)o1 ZINC000736235259 598628680 /nfs/dbraw/zinc/62/86/80/598628680.db2.gz FHMJADWOPGJQAX-BXKDBHETSA-N -1 3 356.361 3.044 20 0 FGADHM CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736559103 598629235 /nfs/dbraw/zinc/62/92/35/598629235.db2.gz VKZUEAMNIHFSLM-UHFFFAOYSA-N -1 3 370.388 3.068 20 0 FGADHM CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736559103 598629237 /nfs/dbraw/zinc/62/92/37/598629237.db2.gz VKZUEAMNIHFSLM-UHFFFAOYSA-N -1 3 370.388 3.068 20 0 FGADHM C[C@H]1CCC[C@H](C)N1C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736247969 598648113 /nfs/dbraw/zinc/64/81/13/598648113.db2.gz IBIYTJFYNAAPIB-GJZGRUSLSA-N -1 3 357.458 3.205 20 0 FGADHM C[C@H]1CCC[C@H](C)N1C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736247969 598648115 /nfs/dbraw/zinc/64/81/15/598648115.db2.gz IBIYTJFYNAAPIB-GJZGRUSLSA-N -1 3 357.458 3.205 20 0 FGADHM CC[C@@H](Sc1ccccc1)C(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736391777 598649928 /nfs/dbraw/zinc/64/99/28/598649928.db2.gz OEGQRLKUNVEYCU-QGZVFWFLSA-N -1 3 367.478 3.396 20 0 FGADHM CC[C@@H](Sc1ccccc1)C(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736391777 598649929 /nfs/dbraw/zinc/64/99/29/598649929.db2.gz OEGQRLKUNVEYCU-QGZVFWFLSA-N -1 3 367.478 3.396 20 0 FGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N(C1CC1)C1CCCCC1 ZINC000737942699 598652697 /nfs/dbraw/zinc/65/26/97/598652697.db2.gz OCZBJOGWTNFWRR-UHFFFAOYSA-N -1 3 357.483 3.283 20 0 FGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N(C1CC1)C1CCCCC1 ZINC000737942699 598652698 /nfs/dbraw/zinc/65/26/98/598652698.db2.gz OCZBJOGWTNFWRR-UHFFFAOYSA-N -1 3 357.483 3.283 20 0 FGADHM C[C@@H]1CN(C(=O)CSc2ccc(-c3nnn[n-]3)cc2)c2ccccc21 ZINC000736281519 598653381 /nfs/dbraw/zinc/65/33/81/598653381.db2.gz SYOADGSSQKXBRD-GFCCVEGCSA-N -1 3 351.435 3.109 20 0 FGADHM C[C@@H]1CN(C(=O)CSc2ccc(-c3nn[n-]n3)cc2)c2ccccc21 ZINC000736281519 598653383 /nfs/dbraw/zinc/65/33/83/598653383.db2.gz SYOADGSSQKXBRD-GFCCVEGCSA-N -1 3 351.435 3.109 20 0 FGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N1CCCc2cc(F)ccc21 ZINC000737943150 598654432 /nfs/dbraw/zinc/65/44/32/598654432.db2.gz PQVGKOXZLVRQAH-UHFFFAOYSA-N -1 3 369.425 3.077 20 0 FGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N1CCCc2cc(F)ccc21 ZINC000737943150 598654434 /nfs/dbraw/zinc/65/44/34/598654434.db2.gz PQVGKOXZLVRQAH-UHFFFAOYSA-N -1 3 369.425 3.077 20 0 FGADHM Cc1cc(NC(=O)[C@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)ccc1F ZINC000737270312 598660252 /nfs/dbraw/zinc/66/02/52/598660252.db2.gz FXSZAWGFCRWXNS-QGZVFWFLSA-N -1 3 369.400 3.356 20 0 FGADHM Cc1cc(NC(=O)[C@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)ccc1F ZINC000737270312 598660254 /nfs/dbraw/zinc/66/02/54/598660254.db2.gz FXSZAWGFCRWXNS-QGZVFWFLSA-N -1 3 369.400 3.356 20 0 FGADHM O=C(Nc1ccc(OCc2cccnc2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000738174437 598662814 /nfs/dbraw/zinc/66/28/14/598662814.db2.gz ZIJJVTHQFZSUCZ-UHFFFAOYSA-N -1 3 372.388 3.093 20 0 FGADHM O=C(Nc1ccc(OCc2cccnc2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000738174437 598662816 /nfs/dbraw/zinc/66/28/16/598662816.db2.gz ZIJJVTHQFZSUCZ-UHFFFAOYSA-N -1 3 372.388 3.093 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cn1)[C@H]1C[C@H]1c1cccc2ccccc21 ZINC000738152322 598663106 /nfs/dbraw/zinc/66/31/06/598663106.db2.gz USZPWIPIIFAKSZ-IRXDYDNUSA-N -1 3 356.389 3.157 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cn1)[C@H]1C[C@H]1c1cccc2ccccc21 ZINC000738152322 598663107 /nfs/dbraw/zinc/66/31/07/598663107.db2.gz USZPWIPIIFAKSZ-IRXDYDNUSA-N -1 3 356.389 3.157 20 0 FGADHM Cc1cccc(C2(C(=O)Nc3ccc(-c4nnn[n-]4)cn3)CCCCC2)c1 ZINC000737389620 598663381 /nfs/dbraw/zinc/66/33/81/598663381.db2.gz LMVWIKDELZNSAR-UHFFFAOYSA-N -1 3 362.437 3.411 20 0 FGADHM Cc1cccc(C2(C(=O)Nc3ccc(-c4nn[n-]n4)cn3)CCCCC2)c1 ZINC000737389620 598663383 /nfs/dbraw/zinc/66/33/83/598663383.db2.gz LMVWIKDELZNSAR-UHFFFAOYSA-N -1 3 362.437 3.411 20 0 FGADHM COC(=O)c1cc(CSCc2ccc(F)cc2-c2nnn[n-]2)oc1C ZINC000736949092 598695024 /nfs/dbraw/zinc/69/50/24/598695024.db2.gz ANILIIZAYQBFJN-UHFFFAOYSA-N -1 3 362.386 3.127 20 0 FGADHM COC(=O)c1cc(CSCc2ccc(F)cc2-c2nn[n-]n2)oc1C ZINC000736949092 598695026 /nfs/dbraw/zinc/69/50/26/598695026.db2.gz ANILIIZAYQBFJN-UHFFFAOYSA-N -1 3 362.386 3.127 20 0 FGADHM Fc1ccc(CSCc2nc(-c3ccccc3)no2)c(-c2nnn[n-]2)c1 ZINC000737647386 598695271 /nfs/dbraw/zinc/69/52/71/598695271.db2.gz CZEXJYHJBHTUGT-UHFFFAOYSA-N -1 3 368.397 3.489 20 0 FGADHM Fc1ccc(CSCc2nc(-c3ccccc3)no2)c(-c2nn[n-]n2)c1 ZINC000737647386 598695272 /nfs/dbraw/zinc/69/52/72/598695272.db2.gz CZEXJYHJBHTUGT-UHFFFAOYSA-N -1 3 368.397 3.489 20 0 FGADHM C[C@@H](SCc1ccc(F)cc1-c1nnn[n-]1)C(=O)N1CCCCCC1 ZINC000736192463 598695888 /nfs/dbraw/zinc/69/58/88/598695888.db2.gz ZCNISDBXRCWIJR-GFCCVEGCSA-N -1 3 363.462 3.030 20 0 FGADHM C[C@@H](SCc1ccc(F)cc1-c1nn[n-]n1)C(=O)N1CCCCCC1 ZINC000736192463 598695891 /nfs/dbraw/zinc/69/58/91/598695891.db2.gz ZCNISDBXRCWIJR-GFCCVEGCSA-N -1 3 363.462 3.030 20 0 FGADHM CN(C(=O)CSCc1ccc(F)cc1-c1nnn[n-]1)C1CCCCC1 ZINC000736738029 598698091 /nfs/dbraw/zinc/69/80/91/598698091.db2.gz XZQCUQKQSOTZBW-UHFFFAOYSA-N -1 3 363.462 3.030 20 0 FGADHM CN(C(=O)CSCc1ccc(F)cc1-c1nn[n-]n1)C1CCCCC1 ZINC000736738029 598698092 /nfs/dbraw/zinc/69/80/92/598698092.db2.gz XZQCUQKQSOTZBW-UHFFFAOYSA-N -1 3 363.462 3.030 20 0 FGADHM Cc1cc(NC(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)ccn1 ZINC000737275049 598698712 /nfs/dbraw/zinc/69/87/12/598698712.db2.gz UIFZLDZBNUTPKN-UHFFFAOYSA-N -1 3 372.388 3.037 20 0 FGADHM CC(C)c1cccc(OCC(=O)OCc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000735932703 598707092 /nfs/dbraw/zinc/70/70/92/598707092.db2.gz PXPFQCDRAHAWGP-UHFFFAOYSA-N -1 3 370.384 3.251 20 0 FGADHM CC(C)c1cccc(OCC(=O)OCc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000735932703 598707094 /nfs/dbraw/zinc/70/70/94/598707094.db2.gz PXPFQCDRAHAWGP-UHFFFAOYSA-N -1 3 370.384 3.251 20 0 FGADHM Cc1cccc(C)c1OCCC(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737390077 598708107 /nfs/dbraw/zinc/70/81/07/598708107.db2.gz OTHOTDWBBPDOBV-UHFFFAOYSA-N -1 3 370.384 3.135 20 0 FGADHM Cc1cccc(C)c1OCCC(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737390077 598708109 /nfs/dbraw/zinc/70/81/09/598708109.db2.gz OTHOTDWBBPDOBV-UHFFFAOYSA-N -1 3 370.384 3.135 20 0 FGADHM O=C(Nc1cccc(Oc2ccc(-c3nn[nH]n3)cc2)c1)c1cncc([O-])c1 ZINC000738185048 598722539 /nfs/dbraw/zinc/72/25/39/598722539.db2.gz QPWYUPCLLYRVGC-UHFFFAOYSA-N -1 3 374.360 3.012 20 0 FGADHM CC(C)[C@H]1CCCC[C@H]1NC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000735752184 598726976 /nfs/dbraw/zinc/72/69/76/598726976.db2.gz YMZSRCVFEVTYCK-IAGOWNOFSA-N -1 3 356.474 3.223 20 0 FGADHM CC(C)[C@H]1CCCC[C@H]1NC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000735752184 598726978 /nfs/dbraw/zinc/72/69/78/598726978.db2.gz YMZSRCVFEVTYCK-IAGOWNOFSA-N -1 3 356.474 3.223 20 0 FGADHM COCCCCOC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000736982311 598727429 /nfs/dbraw/zinc/72/74/29/598727429.db2.gz VNTZGGJFGBUCGH-UHFFFAOYSA-N -1 3 352.394 3.117 20 0 FGADHM COCCCCOC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000736982311 598727431 /nfs/dbraw/zinc/72/74/31/598727431.db2.gz VNTZGGJFGBUCGH-UHFFFAOYSA-N -1 3 352.394 3.117 20 0 FGADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)c1cnc(-c2ccco2)s1 ZINC000738163873 598734994 /nfs/dbraw/zinc/73/49/94/598734994.db2.gz QROYONVQYRSKEB-UHFFFAOYSA-N -1 3 372.797 3.489 20 0 FGADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)c1cnc(-c2ccco2)s1 ZINC000738163873 598734995 /nfs/dbraw/zinc/73/49/95/598734995.db2.gz QROYONVQYRSKEB-UHFFFAOYSA-N -1 3 372.797 3.489 20 0 FGADHM C[C@H](Cc1ccccc1)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000736057624 598741197 /nfs/dbraw/zinc/74/11/97/598741197.db2.gz IHCBJJVNFKXJPP-LLVKDONJSA-N -1 3 353.451 3.234 20 0 FGADHM C[C@H](Cc1ccccc1)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000736057624 598741198 /nfs/dbraw/zinc/74/11/98/598741198.db2.gz IHCBJJVNFKXJPP-LLVKDONJSA-N -1 3 353.451 3.234 20 0 FGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H](C)Cc1ccccc1 ZINC000736056749 598741340 /nfs/dbraw/zinc/74/13/40/598741340.db2.gz DLRXWSVLTKVCEF-MRXNPFEDSA-N -1 3 363.465 3.483 20 0 FGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H](C)Cc1ccccc1 ZINC000736056749 598741342 /nfs/dbraw/zinc/74/13/42/598741342.db2.gz DLRXWSVLTKVCEF-MRXNPFEDSA-N -1 3 363.465 3.483 20 0 FGADHM CCCCCCC(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736440941 598745173 /nfs/dbraw/zinc/74/51/73/598745173.db2.gz JQGXAVAFMJUAGX-UHFFFAOYSA-N -1 3 357.458 3.207 20 0 FGADHM Fc1cc(-c2nnn[n-]2)ccc1CN1CCc2ccc(Br)cc21 ZINC000737637823 598777214 /nfs/dbraw/zinc/77/72/14/598777214.db2.gz DOEVIOIJLVROIU-UHFFFAOYSA-N -1 3 374.217 3.331 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1CN1CCc2ccc(Br)cc21 ZINC000737637823 598777215 /nfs/dbraw/zinc/77/72/15/598777215.db2.gz DOEVIOIJLVROIU-UHFFFAOYSA-N -1 3 374.217 3.331 20 0 FGADHM Cc1ccccc1CCC(=O)OCc1cn2ccccc2c1-c1nnn[n-]1 ZINC000737426102 598780632 /nfs/dbraw/zinc/78/06/32/598780632.db2.gz JWQFGOUPJMHLPZ-UHFFFAOYSA-N -1 3 361.405 3.104 20 0 FGADHM Cc1ccccc1CCC(=O)OCc1cn2ccccc2c1-c1nn[n-]n1 ZINC000737426102 598780634 /nfs/dbraw/zinc/78/06/34/598780634.db2.gz JWQFGOUPJMHLPZ-UHFFFAOYSA-N -1 3 361.405 3.104 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H]1CCC[C@@H](C(C)C)C1 ZINC000737062786 598782556 /nfs/dbraw/zinc/78/25/56/598782556.db2.gz NIBLCHXIGNDWNI-OCCSQVGLSA-N -1 3 358.446 3.212 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H]1CCC[C@@H](C(C)C)C1 ZINC000737062786 598782557 /nfs/dbraw/zinc/78/25/57/598782557.db2.gz NIBLCHXIGNDWNI-OCCSQVGLSA-N -1 3 358.446 3.212 20 0 FGADHM CCOc1ccc(OC)cc1NC(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000736647323 598789051 /nfs/dbraw/zinc/78/90/51/598789051.db2.gz PBUNXHJDSBUBJE-UHFFFAOYSA-N -1 3 370.438 3.083 20 0 FGADHM CCOc1ccc(OC)cc1NC(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000736647323 598789053 /nfs/dbraw/zinc/78/90/53/598789053.db2.gz PBUNXHJDSBUBJE-UHFFFAOYSA-N -1 3 370.438 3.083 20 0 FGADHM S=C(Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)NC1CC1 ZINC000738410512 598789336 /nfs/dbraw/zinc/78/93/36/598789336.db2.gz ZUGZCGXRHQDNLA-UHFFFAOYSA-N -1 3 352.423 3.108 20 0 FGADHM S=C(Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)NC1CC1 ZINC000738410512 598789337 /nfs/dbraw/zinc/78/93/37/598789337.db2.gz ZUGZCGXRHQDNLA-UHFFFAOYSA-N -1 3 352.423 3.108 20 0 FGADHM CCCNC(=O)c1cccc(CNc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000736486997 598792932 /nfs/dbraw/zinc/79/29/32/598792932.db2.gz ADJGMCPMJCFLBI-UHFFFAOYSA-N -1 3 370.844 3.272 20 0 FGADHM CCCNC(=O)c1cccc(CNc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000736486997 598792933 /nfs/dbraw/zinc/79/29/33/598792933.db2.gz ADJGMCPMJCFLBI-UHFFFAOYSA-N -1 3 370.844 3.272 20 0 FGADHM CC(C)[C@H](C)C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(F)(F)F ZINC000735701752 598803748 /nfs/dbraw/zinc/80/37/48/598803748.db2.gz LGDTYLFIVBWBRN-NSHDSACASA-N -1 3 355.364 3.050 20 0 FGADHM CC(C)[C@H](C)C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(F)(F)F ZINC000735701752 598803749 /nfs/dbraw/zinc/80/37/49/598803749.db2.gz LGDTYLFIVBWBRN-NSHDSACASA-N -1 3 355.364 3.050 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cn1)c1ccccc1CCc1ccccc1 ZINC000738149766 598806811 /nfs/dbraw/zinc/80/68/11/598806811.db2.gz GYPLPBZITVNWNG-UHFFFAOYSA-N -1 3 370.416 3.299 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cn1)c1ccccc1CCc1ccccc1 ZINC000738149766 598806812 /nfs/dbraw/zinc/80/68/12/598806812.db2.gz GYPLPBZITVNWNG-UHFFFAOYSA-N -1 3 370.416 3.299 20 0 FGADHM CC[C@H](C)[C@H](C)NC(=O)c1cc(C2CC2)nc(SC)c1-c1nnn[n-]1 ZINC000736326093 598810251 /nfs/dbraw/zinc/81/02/51/598810251.db2.gz BIYIFZPYBCPBLL-UWVGGRQHSA-N -1 3 360.487 3.025 20 0 FGADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)[C@H]1CSc2ccccc21 ZINC000738162854 599293265 /nfs/dbraw/zinc/29/32/65/599293265.db2.gz GACDVUGTTLEOAU-LBPRGKRZSA-N -1 3 357.826 3.348 20 0 FGADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)[C@H]1CSc2ccccc21 ZINC000738162854 599293267 /nfs/dbraw/zinc/29/32/67/599293267.db2.gz GACDVUGTTLEOAU-LBPRGKRZSA-N -1 3 357.826 3.348 20 0 FGADHM COc1cccc(-c2noc(CSc3ccc(-c4nnn[n-]4)cc3)n2)c1 ZINC000821854154 599309567 /nfs/dbraw/zinc/30/95/67/599309567.db2.gz GSMFSBHXCPEOBR-UHFFFAOYSA-N -1 3 366.406 3.218 20 0 FGADHM COc1cccc(-c2noc(CSc3ccc(-c4nn[n-]n4)cc3)n2)c1 ZINC000821854154 599309571 /nfs/dbraw/zinc/30/95/71/599309571.db2.gz GSMFSBHXCPEOBR-UHFFFAOYSA-N -1 3 366.406 3.218 20 0 FGADHM CCCN(C)c1ccc(C(=O)N(CC)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736470370 599310927 /nfs/dbraw/zinc/31/09/27/599310927.db2.gz FABCCIXJNHDOAS-UHFFFAOYSA-N -1 3 364.453 3.380 20 0 FGADHM CCCN(C)c1ccc(C(=O)N(CC)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736470370 599310930 /nfs/dbraw/zinc/31/09/30/599310930.db2.gz FABCCIXJNHDOAS-UHFFFAOYSA-N -1 3 364.453 3.380 20 0 FGADHM COc1cccc(-c2noc(N[C@@H](C)c3ccc(-c4nn[n-]n4)cc3)n2)c1 ZINC000737121274 599323985 /nfs/dbraw/zinc/32/39/85/599323985.db2.gz MKGJBOTVMLRPPF-NSHDSACASA-N -1 3 363.381 3.098 20 0 FGADHM Cc1nc2ccc(NCCOc3cccc(-c4nnn[n-]4)c3)cc2s1 ZINC000737488317 599325723 /nfs/dbraw/zinc/32/57/23/599325723.db2.gz PADRCTYRXITBQQ-UHFFFAOYSA-N -1 3 352.423 3.276 20 0 FGADHM Cc1nc2ccc(NCCOc3cccc(-c4nn[n-]n4)c3)cc2s1 ZINC000737488317 599325726 /nfs/dbraw/zinc/32/57/26/599325726.db2.gz PADRCTYRXITBQQ-UHFFFAOYSA-N -1 3 352.423 3.276 20 0 FGADHM Cc1cc(C)c(-c2nnn[n-]2)c(N(C)CCOc2cccc(Cl)c2)n1 ZINC000822191873 599327926 /nfs/dbraw/zinc/32/79/26/599327926.db2.gz STQKUNLFWUYXBP-UHFFFAOYSA-N -1 3 358.833 3.047 20 0 FGADHM Cc1cc(C)c(-c2nn[n-]n2)c(N(C)CCOc2cccc(Cl)c2)n1 ZINC000822191873 599327929 /nfs/dbraw/zinc/32/79/29/599327929.db2.gz STQKUNLFWUYXBP-UHFFFAOYSA-N -1 3 358.833 3.047 20 0 FGADHM C[C@H](SCC(=O)N(C)Cc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736189137 599330609 /nfs/dbraw/zinc/33/06/09/599330609.db2.gz OAOMPSAKLVEJSK-AWEZNQCLSA-N -1 3 367.478 3.320 20 0 FGADHM C[C@H](SCC(=O)N(C)Cc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736189137 599330610 /nfs/dbraw/zinc/33/06/10/599330610.db2.gz OAOMPSAKLVEJSK-AWEZNQCLSA-N -1 3 367.478 3.320 20 0 FGADHM CCCCc1nc(CNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)no1 ZINC000736467182 599333082 /nfs/dbraw/zinc/33/30/82/599333082.db2.gz XMLOCZNTTVYHKC-UHFFFAOYSA-N -1 3 367.335 3.223 20 0 FGADHM CCCCc1nc(CNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)no1 ZINC000736467182 599333084 /nfs/dbraw/zinc/33/30/84/599333084.db2.gz XMLOCZNTTVYHKC-UHFFFAOYSA-N -1 3 367.335 3.223 20 0 FGADHM Cc1ccccc1CCNC(=O)[C@@H](C)Sc1ccccc1-c1nnn[n-]1 ZINC000822356127 599348266 /nfs/dbraw/zinc/34/82/66/599348266.db2.gz KBJWEQBCVFOBPZ-CQSZACIVSA-N -1 3 367.478 3.015 20 0 FGADHM Cc1ccccc1CCNC(=O)[C@@H](C)Sc1ccccc1-c1nn[n-]n1 ZINC000822356127 599348269 /nfs/dbraw/zinc/34/82/69/599348269.db2.gz KBJWEQBCVFOBPZ-CQSZACIVSA-N -1 3 367.478 3.015 20 0 FGADHM COc1cccc(-c2noc(N[C@H](C)c3cccc(-c4nn[n-]n4)c3)n2)c1 ZINC000821854158 599352861 /nfs/dbraw/zinc/35/28/61/599352861.db2.gz GUNOWAGYQXUAGY-LLVKDONJSA-N -1 3 363.381 3.098 20 0 FGADHM C[C@H](Nc1cccc(CN2CCCC2=O)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820461659 599364969 /nfs/dbraw/zinc/36/49/69/599364969.db2.gz PBIVHNOMHDJERG-AWEZNQCLSA-N -1 3 362.437 3.162 20 0 FGADHM C[C@H](Nc1cccc(CN2CCCC2=O)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820461659 599364971 /nfs/dbraw/zinc/36/49/71/599364971.db2.gz PBIVHNOMHDJERG-AWEZNQCLSA-N -1 3 362.437 3.162 20 0 FGADHM COc1ccccc1CS[C@@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000737151378 599370037 /nfs/dbraw/zinc/37/00/37/599370037.db2.gz FMHGRSHVXYNQCG-LBPRGKRZSA-N -1 3 369.450 3.136 20 0 FGADHM COc1ccccc1CS[C@@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000737151378 599370039 /nfs/dbraw/zinc/37/00/39/599370039.db2.gz FMHGRSHVXYNQCG-LBPRGKRZSA-N -1 3 369.450 3.136 20 0 FGADHM CO[C@@H](C)C(=O)Nc1cccc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821673562 599371886 /nfs/dbraw/zinc/37/18/86/599371886.db2.gz FPBMTWHKESNMCA-OLZOCXBDSA-N -1 3 366.425 3.013 20 0 FGADHM CO[C@@H](C)C(=O)Nc1cccc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821673562 599371888 /nfs/dbraw/zinc/37/18/88/599371888.db2.gz FPBMTWHKESNMCA-OLZOCXBDSA-N -1 3 366.425 3.013 20 0 FGADHM CSCCCNC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000737182746 599376548 /nfs/dbraw/zinc/37/65/48/599376548.db2.gz SPZZKSBDMHCHLM-UHFFFAOYSA-N -1 3 353.451 3.017 20 0 FGADHM CSCCCNC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000737182746 599376551 /nfs/dbraw/zinc/37/65/51/599376551.db2.gz SPZZKSBDMHCHLM-UHFFFAOYSA-N -1 3 353.451 3.017 20 0 FGADHM C[C@@H](Nc1ccc(O[C@@H]2CCOC2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820454966 599377999 /nfs/dbraw/zinc/37/79/99/599377999.db2.gz AAOADZPNZZEBHQ-FZKQIMNGSA-N -1 3 351.410 3.208 20 0 FGADHM C[C@@H](Nc1ccc(O[C@@H]2CCOC2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820454966 599378003 /nfs/dbraw/zinc/37/80/03/599378003.db2.gz AAOADZPNZZEBHQ-FZKQIMNGSA-N -1 3 351.410 3.208 20 0 FGADHM CCc1ccc(NC(=O)COc2c(C)cc(-c3nn[n-]n3)cc2C)cc1 ZINC000821487112 599388480 /nfs/dbraw/zinc/38/84/80/599388480.db2.gz RJLJUCKFXNCQDJ-UHFFFAOYSA-N -1 3 351.410 3.063 20 0 FGADHM COc1ccc(CN[C@@H](c2ccco2)c2ccccc2)cc1-c1nnn[n-]1 ZINC000821804383 599396232 /nfs/dbraw/zinc/39/62/32/599396232.db2.gz MJJGGMPVACVWFY-LJQANCHMSA-N -1 3 361.405 3.348 20 0 FGADHM COc1ccc(CN[C@@H](c2ccco2)c2ccccc2)cc1-c1nn[n-]n1 ZINC000821804383 599396233 /nfs/dbraw/zinc/39/62/33/599396233.db2.gz MJJGGMPVACVWFY-LJQANCHMSA-N -1 3 361.405 3.348 20 0 FGADHM C[C@@H](NC(=O)NCCSc1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820367473 599399343 /nfs/dbraw/zinc/39/93/43/599399343.db2.gz UUNRMPLUEZQVEF-CYBMUJFWSA-N -1 3 368.466 3.019 20 0 FGADHM C[C@@H](NC(=O)NCCSc1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820367473 599399344 /nfs/dbraw/zinc/39/93/44/599399344.db2.gz UUNRMPLUEZQVEF-CYBMUJFWSA-N -1 3 368.466 3.019 20 0 FGADHM CC(C)Oc1ccc(NCc2noc3c2CCCC3)cc1-c1nnn[n-]1 ZINC000820173361 607373603 /nfs/dbraw/zinc/37/36/03/607373603.db2.gz BMXLPJOQXATWLV-UHFFFAOYSA-N -1 3 354.414 3.133 20 0 FGADHM CC(C)Oc1ccc(NCc2noc3c2CCCC3)cc1-c1nn[n-]n1 ZINC000820173361 607373605 /nfs/dbraw/zinc/37/36/05/607373605.db2.gz BMXLPJOQXATWLV-UHFFFAOYSA-N -1 3 354.414 3.133 20 0 FGADHM COc1cccc(N2CC[C@@H](Nc3cc(Cl)ccc3-c3nnn[n-]3)C2)c1 ZINC000737138959 599427403 /nfs/dbraw/zinc/42/74/03/599427403.db2.gz IUZMJASEVLAKNI-CYBMUJFWSA-N -1 3 370.844 3.220 20 0 FGADHM COc1cccc(N2CC[C@@H](Nc3cc(Cl)ccc3-c3nn[n-]n3)C2)c1 ZINC000737138959 599427404 /nfs/dbraw/zinc/42/74/04/599427404.db2.gz IUZMJASEVLAKNI-CYBMUJFWSA-N -1 3 370.844 3.220 20 0 FGADHM COc1ccc(CNCc2ccc(-c3nnn[n-]3)o2)cc1OC1CCCC1 ZINC000821817998 599428413 /nfs/dbraw/zinc/42/84/13/599428413.db2.gz GVRJNVBSDCEEOF-UHFFFAOYSA-N -1 3 369.425 3.080 20 0 FGADHM COc1ccc(CNCc2ccc(-c3nn[n-]n3)o2)cc1OC1CCCC1 ZINC000821817998 599428416 /nfs/dbraw/zinc/42/84/16/599428416.db2.gz GVRJNVBSDCEEOF-UHFFFAOYSA-N -1 3 369.425 3.080 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1Cn1c2ccccc2nc1C(F)(F)F ZINC000821752020 607377381 /nfs/dbraw/zinc/37/73/81/607377381.db2.gz FEWLGPBQMLOARK-UHFFFAOYSA-N -1 3 374.326 3.292 20 0 FGADHM Clc1ccc(-c2nnn[n-]2)c(N2CCCO[C@@H](c3ccccc3)C2)c1 ZINC000737571105 599430515 /nfs/dbraw/zinc/43/05/15/599430515.db2.gz RTLXVWSVFLEPST-QGZVFWFLSA-N -1 3 355.829 3.488 20 0 FGADHM Clc1ccc(-c2nn[n-]n2)c(N2CCCO[C@@H](c3ccccc3)C2)c1 ZINC000737571105 599430516 /nfs/dbraw/zinc/43/05/16/599430516.db2.gz RTLXVWSVFLEPST-QGZVFWFLSA-N -1 3 355.829 3.488 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1CSc1nc2cc(F)c(F)cc2[nH]1 ZINC000821752172 607377458 /nfs/dbraw/zinc/37/74/58/607377458.db2.gz HNSNAQGPSIBFSR-UHFFFAOYSA-N -1 3 374.376 3.322 20 0 FGADHM c1ccc2c(c1)CCO[C@H]2CNc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000738443598 599438066 /nfs/dbraw/zinc/43/80/66/599438066.db2.gz YSOXRYWGVOKOJN-SFHVURJKSA-N -1 3 358.405 3.141 20 0 FGADHM c1ccc2c(c1)CCO[C@H]2CNc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000738443598 599438068 /nfs/dbraw/zinc/43/80/68/599438068.db2.gz YSOXRYWGVOKOJN-SFHVURJKSA-N -1 3 358.405 3.141 20 0 FGADHM CCc1nc([C@H](C)NC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000821505925 599440341 /nfs/dbraw/zinc/44/03/41/599440341.db2.gz USBKLRLLGWHMAE-MNOVXSKESA-N -1 3 371.470 3.007 20 0 FGADHM CCc1nc([C@H](C)NC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000821505925 599440344 /nfs/dbraw/zinc/44/03/44/599440344.db2.gz USBKLRLLGWHMAE-MNOVXSKESA-N -1 3 371.470 3.007 20 0 FGADHM Cc1cc(C)cc(CCNC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000822196652 599447099 /nfs/dbraw/zinc/44/70/99/599447099.db2.gz RHJUVRJDTDLEDV-OAHLLOKOSA-N -1 3 364.453 3.086 20 0 FGADHM Cc1cc(C)cc(CCNC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000822196652 599447101 /nfs/dbraw/zinc/44/71/01/599447101.db2.gz RHJUVRJDTDLEDV-OAHLLOKOSA-N -1 3 364.453 3.086 20 0 FGADHM Cn1ccnc1[C@@H](Nc1ccc(F)cc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000822694177 599468448 /nfs/dbraw/zinc/46/84/48/599468448.db2.gz YAGNFDXCNNIQJD-INIZCTEOSA-N -1 3 367.363 3.080 20 0 FGADHM Cn1ccnc1[C@@H](Nc1ccc(F)cc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000822694177 599468450 /nfs/dbraw/zinc/46/84/50/599468450.db2.gz YAGNFDXCNNIQJD-INIZCTEOSA-N -1 3 367.363 3.080 20 0 FGADHM C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736234814 599468621 /nfs/dbraw/zinc/46/86/21/599468621.db2.gz KUHYWEZKUCPPDO-BLLLJJGKSA-N -1 3 351.385 3.024 20 0 FGADHM C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736234814 599468623 /nfs/dbraw/zinc/46/86/23/599468623.db2.gz KUHYWEZKUCPPDO-BLLLJJGKSA-N -1 3 351.385 3.024 20 0 FGADHM C[C@H](NC(=O)N1CCc2ccccc2[C@@H]1C)c1cccc(-c2nnn[n-]2)c1 ZINC000820348983 599477804 /nfs/dbraw/zinc/47/78/04/599477804.db2.gz GYPZLGILMRWGKA-KBPBESRZSA-N -1 3 362.437 3.257 20 0 FGADHM C[C@H](NC(=O)N1CCc2ccccc2[C@@H]1C)c1cccc(-c2nn[n-]n2)c1 ZINC000820348983 599477806 /nfs/dbraw/zinc/47/78/06/599477806.db2.gz GYPZLGILMRWGKA-KBPBESRZSA-N -1 3 362.437 3.257 20 0 FGADHM C[C@H](NC(=O)N1Cc2ccccc2C[C@H]1C)c1cccc(-c2nnn[n-]2)c1 ZINC000820351498 599485538 /nfs/dbraw/zinc/48/55/38/599485538.db2.gz PWKPMFQXZMLFHC-KGLIPLIRSA-N -1 3 362.437 3.084 20 0 FGADHM C[C@H](NC(=O)N1Cc2ccccc2C[C@H]1C)c1cccc(-c2nn[n-]n2)c1 ZINC000820351498 599485542 /nfs/dbraw/zinc/48/55/42/599485542.db2.gz PWKPMFQXZMLFHC-KGLIPLIRSA-N -1 3 362.437 3.084 20 0 FGADHM Clc1cccc(-c2nnn[n-]2)c1NCc1ccc(-n2ccnc2)cc1 ZINC000822585711 599499095 /nfs/dbraw/zinc/49/90/95/599499095.db2.gz LRLTZNJLGHKQKW-UHFFFAOYSA-N -1 3 351.801 3.318 20 0 FGADHM Clc1cccc(-c2nn[n-]n2)c1NCc1ccc(-n2ccnc2)cc1 ZINC000822585711 599499098 /nfs/dbraw/zinc/49/90/98/599499098.db2.gz LRLTZNJLGHKQKW-UHFFFAOYSA-N -1 3 351.801 3.318 20 0 FGADHM Cc1ccc(C(=O)CCC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822225354 599500430 /nfs/dbraw/zinc/50/04/30/599500430.db2.gz ZRKJVPWAVDTKOI-CQSZACIVSA-N -1 3 363.421 3.015 20 0 FGADHM Cc1ccc(C(=O)CCC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822225354 599500433 /nfs/dbraw/zinc/50/04/33/599500433.db2.gz ZRKJVPWAVDTKOI-CQSZACIVSA-N -1 3 363.421 3.015 20 0 FGADHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2NCc1ccc(F)cc1F ZINC000822204303 599503669 /nfs/dbraw/zinc/50/36/69/599503669.db2.gz LHLKGSKDZCAZTA-UHFFFAOYSA-N -1 3 370.338 3.175 20 0 FGADHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2NCc1ccc(F)cc1F ZINC000822204303 599503672 /nfs/dbraw/zinc/50/36/72/599503672.db2.gz LHLKGSKDZCAZTA-UHFFFAOYSA-N -1 3 370.338 3.175 20 0 FGADHM CC(C)(CNc1ccc(F)cc1-c1nnn[n-]1)c1ccc2c(c1)OCCO2 ZINC000819983722 599505802 /nfs/dbraw/zinc/50/58/02/599505802.db2.gz CNLLFVCGLWOGBY-UHFFFAOYSA-N -1 3 369.400 3.167 20 0 FGADHM CC(C)(CNc1ccc(F)cc1-c1nn[n-]n1)c1ccc2c(c1)OCCO2 ZINC000819983722 599505804 /nfs/dbraw/zinc/50/58/04/599505804.db2.gz CNLLFVCGLWOGBY-UHFFFAOYSA-N -1 3 369.400 3.167 20 0 FGADHM COc1ccccc1N1CCC(Nc2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000821897760 599506111 /nfs/dbraw/zinc/50/61/11/599506111.db2.gz KIXNSMOQQFZUPW-UHFFFAOYSA-N -1 3 368.416 3.095 20 0 FGADHM COc1ccccc1N1CCC(Nc2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000821897760 599506114 /nfs/dbraw/zinc/50/61/14/599506114.db2.gz KIXNSMOQQFZUPW-UHFFFAOYSA-N -1 3 368.416 3.095 20 0 FGADHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1NCc1cn2ccccc2n1 ZINC000737625471 599519114 /nfs/dbraw/zinc/51/91/14/599519114.db2.gz AKFIZKMTFMYKOS-UHFFFAOYSA-N -1 3 359.315 3.145 20 0 FGADHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1NC[C@H]1Cc2ccccc2O1 ZINC000737626073 599520797 /nfs/dbraw/zinc/52/07/97/599520797.db2.gz HGPYMOXPRDHTQY-GFCCVEGCSA-N -1 3 361.327 3.301 20 0 FGADHM COc1cccc(N2CC[C@H](Nc3c(Cl)cccc3-c3nnn[n-]3)C2)c1 ZINC000821872015 599523230 /nfs/dbraw/zinc/52/32/30/599523230.db2.gz HOPHVHMAIRQGRC-LBPRGKRZSA-N -1 3 370.844 3.220 20 0 FGADHM COc1cccc(N2CC[C@H](Nc3c(Cl)cccc3-c3nn[n-]n3)C2)c1 ZINC000821872015 599523232 /nfs/dbraw/zinc/52/32/32/599523232.db2.gz HOPHVHMAIRQGRC-LBPRGKRZSA-N -1 3 370.844 3.220 20 0 FGADHM CSc1ccc(C)c(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000821979291 599526991 /nfs/dbraw/zinc/52/69/91/599526991.db2.gz QRWFQBVFVHZTEK-GFCCVEGCSA-N -1 3 353.451 3.388 20 0 FGADHM CSc1ccc(C)c(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000821979291 599526993 /nfs/dbraw/zinc/52/69/93/599526993.db2.gz QRWFQBVFVHZTEK-GFCCVEGCSA-N -1 3 353.451 3.388 20 0 FGADHM Fc1ccc(F)c(CNc2c(-c3nnn[n-]3)cnc3c(F)ccc(F)c32)c1 ZINC000822775298 599530150 /nfs/dbraw/zinc/53/01/50/599530150.db2.gz USFSEZYMDVUBBG-UHFFFAOYSA-N -1 3 374.301 3.005 20 0 FGADHM Fc1ccc(F)c(CNc2c(-c3nn[n-]n3)cnc3c(F)ccc(F)c32)c1 ZINC000822775298 599530152 /nfs/dbraw/zinc/53/01/52/599530152.db2.gz USFSEZYMDVUBBG-UHFFFAOYSA-N -1 3 374.301 3.005 20 0 FGADHM C[C@@H](NC(=O)C(C)(C)c1ccccc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000820313353 599534919 /nfs/dbraw/zinc/53/49/19/599534919.db2.gz DCWKKRYSQLDXPF-GFCCVEGCSA-N -1 3 353.401 3.161 20 0 FGADHM C[C@@H](NC(=O)C(C)(C)c1ccccc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000820313353 599534922 /nfs/dbraw/zinc/53/49/22/599534922.db2.gz DCWKKRYSQLDXPF-GFCCVEGCSA-N -1 3 353.401 3.161 20 0 FGADHM Cc1ccc(C[C@H](C)NC(=S)Nc2ccccc2-c2nnn[n-]2)s1 ZINC000737334847 599537149 /nfs/dbraw/zinc/53/71/49/599537149.db2.gz MZKBFXKXRKCSDW-JTQLQIEISA-N -1 3 358.496 3.154 20 0 FGADHM Cc1ccc(C[C@H](C)NC(=S)Nc2ccccc2-c2nn[n-]n2)s1 ZINC000737334847 599537152 /nfs/dbraw/zinc/53/71/52/599537152.db2.gz MZKBFXKXRKCSDW-JTQLQIEISA-N -1 3 358.496 3.154 20 0 FGADHM C[C@H](C(=O)NCCSCc1ccccc1-c1nnn[n-]1)c1cccs1 ZINC000735546605 599538217 /nfs/dbraw/zinc/53/82/17/599538217.db2.gz FIJHIQPEVIISAE-LBPRGKRZSA-N -1 3 373.507 3.081 20 0 FGADHM C[C@H](C(=O)NCCSCc1ccccc1-c1nn[n-]n1)c1cccs1 ZINC000735546605 599538220 /nfs/dbraw/zinc/53/82/20/599538220.db2.gz FIJHIQPEVIISAE-LBPRGKRZSA-N -1 3 373.507 3.081 20 0 FGADHM C[C@@H](NC(=O)[C@@H](C)Cc1ccccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000736059383 599541997 /nfs/dbraw/zinc/54/19/97/599541997.db2.gz RUWGWLOJWJMKDE-QWHCGFSZSA-N -1 3 353.401 3.062 20 0 FGADHM C[C@@H](NC(=O)[C@@H](C)Cc1ccccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000736059383 599542001 /nfs/dbraw/zinc/54/20/01/599542001.db2.gz RUWGWLOJWJMKDE-QWHCGFSZSA-N -1 3 353.401 3.062 20 0 FGADHM C[C@@H](NC(=O)c1coc(-c2ccccc2)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736125391 599542229 /nfs/dbraw/zinc/54/22/29/599542229.db2.gz JVYIRAFGLQCKHG-GFCCVEGCSA-N -1 3 360.377 3.013 20 0 FGADHM C[C@@H](NC(=O)c1coc(-c2ccccc2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736125391 599542231 /nfs/dbraw/zinc/54/22/31/599542231.db2.gz JVYIRAFGLQCKHG-GFCCVEGCSA-N -1 3 360.377 3.013 20 0 FGADHM O[C@]1(CNc2c(Cl)cccc2-c2nnn[n-]2)CCCc2ccccc21 ZINC000823697458 599548507 /nfs/dbraw/zinc/54/85/07/599548507.db2.gz LKAIKHLTPNBSFK-SFHVURJKSA-N -1 3 355.829 3.156 20 0 FGADHM O[C@]1(CNc2c(Cl)cccc2-c2nn[n-]n2)CCCc2ccccc21 ZINC000823697458 599548509 /nfs/dbraw/zinc/54/85/09/599548509.db2.gz LKAIKHLTPNBSFK-SFHVURJKSA-N -1 3 355.829 3.156 20 0 FGADHM Cc1ccc(C[C@H](C)NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000737334539 599550908 /nfs/dbraw/zinc/55/09/08/599550908.db2.gz IFRSOBJYWYCVGD-NSHDSACASA-N -1 3 373.507 3.076 20 0 FGADHM Cc1ccc(C[C@H](C)NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000737334539 599550911 /nfs/dbraw/zinc/55/09/11/599550911.db2.gz IFRSOBJYWYCVGD-NSHDSACASA-N -1 3 373.507 3.076 20 0 FGADHM COc1cccc(N2CCC[C@H](Nc3ccc(F)cc3-c3nnn[n-]3)C2)c1 ZINC000821873142 599561460 /nfs/dbraw/zinc/56/14/60/599561460.db2.gz RVLMKNUCJFBDPS-AWEZNQCLSA-N -1 3 368.416 3.095 20 0 FGADHM COc1cccc(N2CCC[C@H](Nc3ccc(F)cc3-c3nn[n-]n3)C2)c1 ZINC000821873142 599561463 /nfs/dbraw/zinc/56/14/63/599561463.db2.gz RVLMKNUCJFBDPS-AWEZNQCLSA-N -1 3 368.416 3.095 20 0 FGADHM Cc1ccc([C@H](C)CNC(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737321281 599601062 /nfs/dbraw/zinc/60/10/62/599601062.db2.gz SJHXLSSNAHJELG-CABCVRRESA-N -1 3 364.453 3.339 20 0 FGADHM Cc1ccc([C@H](C)CNC(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737321281 599601065 /nfs/dbraw/zinc/60/10/65/599601065.db2.gz SJHXLSSNAHJELG-CABCVRRESA-N -1 3 364.453 3.339 20 0 FGADHM CC[C@@H](c1ccncc1)N(C)C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736396323 599601079 /nfs/dbraw/zinc/60/10/79/599601079.db2.gz LCJCBRWNMLADQZ-GUYCJALGSA-N -1 3 365.441 3.115 20 0 FGADHM CC[C@@H](c1ccncc1)N(C)C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736396323 599601081 /nfs/dbraw/zinc/60/10/81/599601081.db2.gz LCJCBRWNMLADQZ-GUYCJALGSA-N -1 3 365.441 3.115 20 0 FGADHM CC[C@H](OC(=O)C=Cc1ccccc1-c1nnn[n-]1)C(=O)c1ccccc1 ZINC000736384157 599605858 /nfs/dbraw/zinc/60/58/58/599605858.db2.gz VOYIQDMAHSPWKP-UJGDBWEASA-N -1 3 362.389 3.085 20 0 FGADHM CC[C@H](OC(=O)C=Cc1ccccc1-c1nn[n-]n1)C(=O)c1ccccc1 ZINC000736384157 599605859 /nfs/dbraw/zinc/60/58/59/599605859.db2.gz VOYIQDMAHSPWKP-UJGDBWEASA-N -1 3 362.389 3.085 20 0 FGADHM Cc1ccc([C@H](C)CNC(=O)Nc2cc(-c3nnn[n-]3)ccc2C)cc1 ZINC000737320267 599610781 /nfs/dbraw/zinc/61/07/81/599610781.db2.gz JSHHVYMJIGYWFO-CQSZACIVSA-N -1 3 350.426 3.409 20 0 FGADHM Cc1ccc([C@H](C)CNC(=O)Nc2cc(-c3nn[n-]n3)ccc2C)cc1 ZINC000737320267 599610783 /nfs/dbraw/zinc/61/07/83/599610783.db2.gz JSHHVYMJIGYWFO-CQSZACIVSA-N -1 3 350.426 3.409 20 0 FGADHM C[C@@H]1c2c(F)cccc2CCN1C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736306024 599611341 /nfs/dbraw/zinc/61/13/41/599611341.db2.gz ZRVHNCDOGWJIKF-SNVBAGLBSA-N -1 3 370.363 3.296 20 0 FGADHM C[C@@H]1c2c(F)cccc2CCN1C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736306024 599611342 /nfs/dbraw/zinc/61/13/42/599611342.db2.gz ZRVHNCDOGWJIKF-SNVBAGLBSA-N -1 3 370.363 3.296 20 0 FGADHM COc1cccc([C@H](C)OC(=O)C=Cc2ccccc2-c2nnn[n-]2)c1 ZINC000821858068 599627925 /nfs/dbraw/zinc/62/79/25/599627925.db2.gz CTNFDIFYEKJCPC-NHAQELONSA-N -1 3 350.378 3.193 20 0 FGADHM COc1cccc([C@H](C)OC(=O)C=Cc2ccccc2-c2nn[n-]n2)c1 ZINC000821858068 599627926 /nfs/dbraw/zinc/62/79/26/599627926.db2.gz CTNFDIFYEKJCPC-NHAQELONSA-N -1 3 350.378 3.193 20 0 FGADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)/C=C(/C)C(C)(C)C ZINC000821699585 599629575 /nfs/dbraw/zinc/62/95/75/599629575.db2.gz VOSDKBCZJHYAIH-TWGQIWQCSA-N -1 3 350.806 3.427 20 0 FGADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)/C=C(/C)C(C)(C)C ZINC000821699585 599629576 /nfs/dbraw/zinc/62/95/76/599629576.db2.gz VOSDKBCZJHYAIH-TWGQIWQCSA-N -1 3 350.806 3.427 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1cccc(Cl)n1 ZINC000823303846 599632553 /nfs/dbraw/zinc/63/25/53/599632553.db2.gz WYLDDYWBCILWOU-UHFFFAOYSA-N -1 3 368.706 3.186 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1cccc(Cl)n1 ZINC000823303846 599632554 /nfs/dbraw/zinc/63/25/54/599632554.db2.gz WYLDDYWBCILWOU-UHFFFAOYSA-N -1 3 368.706 3.186 20 0 FGADHM C[C@H]1CC[C@H](CCC(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)O1 ZINC000820689645 599632826 /nfs/dbraw/zinc/63/28/26/599632826.db2.gz ACTGIFDSNJAEFP-GXSJLCMTSA-N -1 3 369.347 3.172 20 0 FGADHM C[C@H]1CC[C@H](CCC(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)O1 ZINC000820689645 599632827 /nfs/dbraw/zinc/63/28/27/599632827.db2.gz ACTGIFDSNJAEFP-GXSJLCMTSA-N -1 3 369.347 3.172 20 0 FGADHM CCc1cccc2c1N(Cc1nnc(-c3ccc(-c4nnn[n-]4)cc3)o1)CC2 ZINC000821492697 599638632 /nfs/dbraw/zinc/63/86/32/599638632.db2.gz TUQUETSAKCNSMS-UHFFFAOYSA-N -1 3 373.420 3.042 20 0 FGADHM CCc1cccc2c1N(Cc1nnc(-c3ccc(-c4nn[n-]n4)cc3)o1)CC2 ZINC000821492697 599638633 /nfs/dbraw/zinc/63/86/33/599638633.db2.gz TUQUETSAKCNSMS-UHFFFAOYSA-N -1 3 373.420 3.042 20 0 FGADHM Cc1cc(F)ccc1N(Cc1cccc(-c2nnn[n-]2)c1)CC1(C)COC1 ZINC000822205764 599639051 /nfs/dbraw/zinc/63/90/51/599639051.db2.gz HTHXUTYIQHXTIX-UHFFFAOYSA-N -1 3 367.428 3.357 20 0 FGADHM Cc1cc(F)ccc1N(Cc1cccc(-c2nn[n-]n2)c1)CC1(C)COC1 ZINC000822205764 599639052 /nfs/dbraw/zinc/63/90/52/599639052.db2.gz HTHXUTYIQHXTIX-UHFFFAOYSA-N -1 3 367.428 3.357 20 0 FGADHM C[C@@H](CCOc1ccccc1)C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820248678 599647925 /nfs/dbraw/zinc/64/79/25/599647925.db2.gz MGOQOTQDSAQOPP-GJZGRUSLSA-N -1 3 365.437 3.149 20 0 FGADHM C[C@@H](CCOc1ccccc1)C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820248678 599647926 /nfs/dbraw/zinc/64/79/26/599647926.db2.gz MGOQOTQDSAQOPP-GJZGRUSLSA-N -1 3 365.437 3.149 20 0 FGADHM C[C@@H]1CCC[C@H](C)N1C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736247967 599655762 /nfs/dbraw/zinc/65/57/62/599655762.db2.gz IBIYTJFYNAAPIB-GASCZTMLSA-N -1 3 357.458 3.205 20 0 FGADHM C[C@@H]1CCC[C@H](C)N1C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736247967 599655763 /nfs/dbraw/zinc/65/57/63/599655763.db2.gz IBIYTJFYNAAPIB-GASCZTMLSA-N -1 3 357.458 3.205 20 0 FGADHM C[C@@H](OC(=O)CCCC1CCCC1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000820497763 599670341 /nfs/dbraw/zinc/67/03/41/599670341.db2.gz VKUDLFMWBSEHAC-CYBMUJFWSA-N -1 3 371.441 3.097 20 0 FGADHM C[C@@H](OC(=O)CCCC1CCCC1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000820497763 599670342 /nfs/dbraw/zinc/67/03/42/599670342.db2.gz VKUDLFMWBSEHAC-CYBMUJFWSA-N -1 3 371.441 3.097 20 0 FGADHM CCCC[C@@H](C(=O)[O-])N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000736977353 599706773 /nfs/dbraw/zinc/70/67/73/599706773.db2.gz AMDINAOQFLWXMX-AWEZNQCLSA-N -1 3 373.280 3.395 20 0 FGADHM O=C([O-])Nc1ccccc1C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000740048006 599706943 /nfs/dbraw/zinc/70/69/43/599706943.db2.gz XDAVBNDSYZYNBI-GOSISDBHSA-N -1 3 353.422 3.343 20 0 FGADHM COc1cccc(CN(Cc2ccoc2C(=O)[O-])C2CCC(O)CC2)c1 ZINC000738097949 599771972 /nfs/dbraw/zinc/77/19/72/599771972.db2.gz UKNYCUALIHOBPW-UHFFFAOYSA-N -1 3 359.422 3.292 20 0 FGADHM O=C([O-])Nc1ccc(CNC(=O)CNC2(c3ccccc3)CCC2)cc1 ZINC000740024594 599780184 /nfs/dbraw/zinc/78/01/84/599780184.db2.gz GAFRUGFXKWVHAO-UHFFFAOYSA-N -1 3 353.422 3.062 20 0 FGADHM CCCN(Cc1cc(C(=O)[O-])co1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000737019274 599794030 /nfs/dbraw/zinc/79/40/30/599794030.db2.gz BIEYPAIDBCXDHU-AWEZNQCLSA-N -1 3 352.431 3.199 20 0 FGADHM CC(C)Oc1ccc(NC(=O)CCc2ccccc2F)cc1-c1nnn[n-]1 ZINC000820161652 607398502 /nfs/dbraw/zinc/39/85/02/607398502.db2.gz ZIRKDWFQXMKTTH-UHFFFAOYSA-N -1 3 369.400 3.364 20 0 FGADHM CC(C)Oc1ccc(NC(=O)CCc2ccccc2F)cc1-c1nn[n-]n1 ZINC000820161652 607398504 /nfs/dbraw/zinc/39/85/04/607398504.db2.gz ZIRKDWFQXMKTTH-UHFFFAOYSA-N -1 3 369.400 3.364 20 0 FGADHM CCO[C@H]1C[C@H](OC(=O)c2ccc(-c3nnn[n-]3)cc2C)C12CCCC2 ZINC000825583720 607400686 /nfs/dbraw/zinc/40/06/86/607400686.db2.gz WLENUZREZBNYBG-HOTGVXAUSA-N -1 3 356.426 3.070 20 0 FGADHM CCO[C@H]1C[C@H](OC(=O)c2ccc(-c3nn[n-]n3)cc2C)C12CCCC2 ZINC000825583720 607400687 /nfs/dbraw/zinc/40/06/87/607400687.db2.gz WLENUZREZBNYBG-HOTGVXAUSA-N -1 3 356.426 3.070 20 0 FGADHM CCOc1c(F)cccc1C(=O)OCc1ccc(-c2nnn[n-]2)cc1C ZINC000825603771 607405693 /nfs/dbraw/zinc/40/56/93/607405693.db2.gz BTKJHPVACNAOGA-UHFFFAOYSA-N -1 3 356.357 3.070 20 0 FGADHM CCOc1c(F)cccc1C(=O)OCc1ccc(-c2nn[n-]n2)cc1C ZINC000825603771 607405695 /nfs/dbraw/zinc/40/56/95/607405695.db2.gz BTKJHPVACNAOGA-UHFFFAOYSA-N -1 3 356.357 3.070 20 0 FGADHM CN(Cc1c2ccccc2sc1C(=O)[O-])Cc1cccc(C(N)=O)c1 ZINC000737486025 599937380 /nfs/dbraw/zinc/93/73/80/599937380.db2.gz DOPFNLOTPKGFDO-UHFFFAOYSA-N -1 3 354.431 3.330 20 0 FGADHM C[C@H](CN(CC(=O)N[C@@H](C)c1cccc2ccccc21)C1CC1)C(=O)[O-] ZINC000736577657 599951125 /nfs/dbraw/zinc/95/11/25/599951125.db2.gz FKDPWHUYGZTVDP-CABCVRRESA-N -1 3 354.450 3.202 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)[C@@H](C)Cc1cccc(F)c1 ZINC000826252702 607410907 /nfs/dbraw/zinc/41/09/07/607410907.db2.gz OPYKXBCDKTZKCW-ZDUSSCGKSA-N -1 3 354.385 3.236 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)[C@@H](C)Cc1cccc(F)c1 ZINC000826252702 607410908 /nfs/dbraw/zinc/41/09/08/607410908.db2.gz OPYKXBCDKTZKCW-ZDUSSCGKSA-N -1 3 354.385 3.236 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)CCCOc1ccccc1 ZINC000826253701 607413103 /nfs/dbraw/zinc/41/31/03/607413103.db2.gz ZNULWHRQNVPMED-UHFFFAOYSA-N -1 3 352.394 3.078 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)CCCOc1ccccc1 ZINC000826253701 607413104 /nfs/dbraw/zinc/41/31/04/607413104.db2.gz ZNULWHRQNVPMED-UHFFFAOYSA-N -1 3 352.394 3.078 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)C[C@@H](C)c1ccccc1F ZINC000821740942 607416987 /nfs/dbraw/zinc/41/69/87/607416987.db2.gz FBRKZYAZDVJPPU-GFCCVEGCSA-N -1 3 370.384 3.251 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)C[C@@H](C)c1ccccc1F ZINC000821740942 607416988 /nfs/dbraw/zinc/41/69/88/607416988.db2.gz FBRKZYAZDVJPPU-GFCCVEGCSA-N -1 3 370.384 3.251 20 0 FGADHM O=C([O-])c1cc(F)ccc1CN1CCC(C(=O)Nc2ccccc2)CC1 ZINC000740079287 600083625 /nfs/dbraw/zinc/08/36/25/600083625.db2.gz OHOVXSOICSSMQI-UHFFFAOYSA-N -1 3 356.397 3.375 20 0 FGADHM Cc1oc(C(=O)[O-])cc1CN1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000738958642 600093265 /nfs/dbraw/zinc/09/32/65/600093265.db2.gz WRWFHMQZFQAVIU-LBPRGKRZSA-N -1 3 366.458 3.411 20 0 FGADHM Cc1ccc([C@H](NC(=O)CN(CCC(=O)[O-])C(C)C)c2cccs2)cc1 ZINC000738566646 600222106 /nfs/dbraw/zinc/22/21/06/600222106.db2.gz ACEAVCKVIISBQO-FQEVSTJZSA-N -1 3 374.506 3.447 20 0 FGADHM CC(C)N(CCC(=O)[O-])CC(=O)N1CC[C@@H](C)Sc2ccccc21 ZINC000736792697 600223767 /nfs/dbraw/zinc/22/37/67/600223767.db2.gz YEVFGLKIQGBLSQ-CQSZACIVSA-N -1 3 350.484 3.089 20 0 FGADHM C[C@H](CN(C(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1)C1CC1)C(=O)[O-] ZINC000736561752 600249835 /nfs/dbraw/zinc/24/98/35/600249835.db2.gz MCBAFXYLNPMPCJ-SJORKVTESA-N -1 3 372.509 3.041 20 0 FGADHM CN(C)[C@H](CNC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1)c1ccccc1 ZINC000737359136 600285565 /nfs/dbraw/zinc/28/55/65/600285565.db2.gz SQLLGFQXESAJIB-MRXNPFEDSA-N -1 3 361.829 3.463 20 0 FGADHM CCC(=CC(=O)N(C)c1ccc(-c2nnn[n-]2)cc1)c1ccc(OC)cc1 ZINC000825029508 607441405 /nfs/dbraw/zinc/44/14/05/607441405.db2.gz UXSKDWNQQIYPNE-YPKPFQOOSA-N -1 3 363.421 3.332 20 0 FGADHM CCC(=CC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1)c1ccc(OC)cc1 ZINC000825029508 607441407 /nfs/dbraw/zinc/44/14/07/607441407.db2.gz UXSKDWNQQIYPNE-YPKPFQOOSA-N -1 3 363.421 3.332 20 0 FGADHM CCOC(=O)N(C)C1CCN([C@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC000737143875 600404061 /nfs/dbraw/zinc/40/40/61/600404061.db2.gz BPHDDAUKKJFBBA-HNNXBMFYSA-N -1 3 354.834 3.018 20 0 FGADHM O=C([O-])[C@H](NCc1ccccc1CN1CCOCC1)c1cccc(Cl)c1 ZINC000739506308 600418918 /nfs/dbraw/zinc/41/89/18/600418918.db2.gz ZVVXYLUUEMVWAC-LJQANCHMSA-N -1 3 374.868 3.088 20 0 FGADHM CC(C)NC(=O)Nc1ccc(CN[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC000736476890 600423471 /nfs/dbraw/zinc/42/34/71/600423471.db2.gz WTMCZFZNABWTRJ-QGZVFWFLSA-N -1 3 359.401 3.271 20 0 FGADHM CC[C@@H](C(=O)OCc1ccc(-c2nnn[n-]2)cc1C)c1c(C)noc1C ZINC000825039282 607444596 /nfs/dbraw/zinc/44/45/96/607444596.db2.gz PEPALKJPMIJALN-OAHLLOKOSA-N -1 3 355.398 3.017 20 0 FGADHM CC[C@@H](C(=O)OCc1ccc(-c2nn[n-]n2)cc1C)c1c(C)noc1C ZINC000825039282 607444598 /nfs/dbraw/zinc/44/45/98/607444598.db2.gz PEPALKJPMIJALN-OAHLLOKOSA-N -1 3 355.398 3.017 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)c1ccc2ncsc2c1 ZINC000826254659 607445836 /nfs/dbraw/zinc/44/58/36/607445836.db2.gz VUEIRYXNWRWDMG-UHFFFAOYSA-N -1 3 351.391 3.142 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)c1ccc2ncsc2c1 ZINC000826254659 607445838 /nfs/dbraw/zinc/44/58/38/607445838.db2.gz VUEIRYXNWRWDMG-UHFFFAOYSA-N -1 3 351.391 3.142 20 0 FGADHM Cc1ccc([C@H](C)NC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)s1 ZINC000826282953 607453667 /nfs/dbraw/zinc/45/36/67/607453667.db2.gz GZMYWYXVBRYYQQ-LBPRGKRZSA-N -1 3 368.466 3.286 20 0 FGADHM Cc1ccc([C@H](C)NC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)s1 ZINC000826282953 607453668 /nfs/dbraw/zinc/45/36/68/607453668.db2.gz GZMYWYXVBRYYQQ-LBPRGKRZSA-N -1 3 368.466 3.286 20 0 FGADHM CCC1(CNC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)CCCC1 ZINC000825171480 607459715 /nfs/dbraw/zinc/45/97/15/607459715.db2.gz QTLBGEVSUNLAAJ-UHFFFAOYSA-N -1 3 354.458 3.125 20 0 FGADHM CCC1(CNC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)CCCC1 ZINC000825171480 607459717 /nfs/dbraw/zinc/45/97/17/607459717.db2.gz QTLBGEVSUNLAAJ-UHFFFAOYSA-N -1 3 354.458 3.125 20 0 FGADHM CN(C)Cc1c2ccccc2oc1C(=O)NC[C@H](C(=O)[O-])c1ccccc1 ZINC000830619694 600779475 /nfs/dbraw/zinc/77/94/75/600779475.db2.gz IPNOSZCPWIJOAR-INIZCTEOSA-N -1 3 366.417 3.093 20 0 FGADHM CC(C)C1CCN(CC2=C(C(=O)[O-])[C@@H](c3ccccc3)NC(=O)N2C)CC1 ZINC000826735354 600834252 /nfs/dbraw/zinc/83/42/52/600834252.db2.gz FPZSUWSBAQDDIG-LJQANCHMSA-N -1 3 371.481 3.089 20 0 FGADHM CC[C@H](Cc1ccccc1)N(C)CC(=O)N(C)c1ccccc1C(=O)[O-] ZINC000736904922 600979789 /nfs/dbraw/zinc/97/97/89/600979789.db2.gz FRSDLYIYZRIPCD-QGZVFWFLSA-N -1 3 354.450 3.301 20 0 FGADHM CC[C@H](C)[C@@H](NC(=O)CN[C@H](c1ccc(Cl)cc1)C(C)C)C(=O)[O-] ZINC000828720705 600984905 /nfs/dbraw/zinc/98/49/05/600984905.db2.gz YQXUFVGPHVSONB-AFAVFJNCSA-N -1 3 354.878 3.242 20 0 FGADHM Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000832961538 601149238 /nfs/dbraw/zinc/14/92/38/601149238.db2.gz DXYACXVHUJKECQ-RRIFGTCXSA-N -1 3 356.466 3.020 20 0 FGADHM COc1cccc(-c2nc(CN[C@](C)(C(=O)[O-])C3CC3)cs2)c1OC ZINC000832514436 601173897 /nfs/dbraw/zinc/17/38/97/601173897.db2.gz DQWCIRQJAPYVOX-SFHVURJKSA-N -1 3 362.451 3.170 20 0 FGADHM C[C@@H](CSCc1ccccc1)C(=O)OCc1cccc(-c2nnn[n-]2)c1 ZINC000820293222 607495460 /nfs/dbraw/zinc/49/54/60/607495460.db2.gz IYNZPVYOQSEXEO-AWEZNQCLSA-N -1 3 368.462 3.479 20 0 FGADHM C[C@@H](CSCc1ccccc1)C(=O)OCc1cccc(-c2nn[n-]n2)c1 ZINC000820293222 607495461 /nfs/dbraw/zinc/49/54/61/607495461.db2.gz IYNZPVYOQSEXEO-AWEZNQCLSA-N -1 3 368.462 3.479 20 0 FGADHM C[C@H](C(=O)[O-])[C@@H](NCC(=O)N1CCSc2ccccc21)c1ccccc1 ZINC000826045727 601203664 /nfs/dbraw/zinc/20/36/64/601203664.db2.gz XZLBQZFBCDJVEU-IFXJQAMLSA-N -1 3 370.474 3.177 20 0 FGADHM CCN(C(=O)c1ccnc(C(=O)[O-])c1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000829601850 601280016 /nfs/dbraw/zinc/28/00/16/601280016.db2.gz BEMUCZYJODJKKG-MAUKXSAKSA-N -1 3 367.449 3.077 20 0 FGADHM COc1ccccc1[C@H]1CCN(Cn2nc(C(=O)[O-])c3ccccc32)C1 ZINC000832603041 601401857 /nfs/dbraw/zinc/40/18/57/601401857.db2.gz YEWAJOPKLABRFN-AWEZNQCLSA-N -1 3 351.406 3.190 20 0 FGADHM CCc1oc(C(=O)[O-])cc1CN1CCCN(Cc2ccc(F)cc2)CC1 ZINC000830369639 601412229 /nfs/dbraw/zinc/41/22/29/601412229.db2.gz QPILFAWWRZHDLX-UHFFFAOYSA-N -1 3 360.429 3.387 20 0 FGADHM C[C@H]1CN(CCOc2ccc(Cl)cc2Br)C[C@H]1C(=O)[O-] ZINC000251527171 601533047 /nfs/dbraw/zinc/53/30/47/601533047.db2.gz AEHXCEFVRMXNMZ-GXSJLCMTSA-N -1 3 362.651 3.134 20 0 FGADHM Cc1cc(C(=O)Nc2cccc(CN(C)C)c2)cc(C)c1OCC(=O)[O-] ZINC000832866940 601533797 /nfs/dbraw/zinc/53/37/97/601533797.db2.gz JCJRUALURDDNLG-UHFFFAOYSA-N -1 3 356.422 3.081 20 0 FGADHM C[C@H]1CN(Cc2cc(Cl)ccc2OCc2cccnc2)C[C@@H]1C(=O)[O-] ZINC000828457582 601535612 /nfs/dbraw/zinc/53/56/12/601535612.db2.gz UXHBTXLPCMCHHL-GUYCJALGSA-N -1 3 360.841 3.467 20 0 FGADHM O=C([O-])[C@]1(F)CCN(CCC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000833100689 601557456 /nfs/dbraw/zinc/55/74/56/601557456.db2.gz YOMLJZXHPYMQJH-FQEVSTJZSA-N -1 3 372.396 3.306 20 0 FGADHM Cc1sc(C(=O)[O-])cc1CN1CCC[C@@H](C(=O)Nc2ccccn2)C1 ZINC000833033260 601620726 /nfs/dbraw/zinc/62/07/26/601620726.db2.gz XLHNIORETOZZSO-CYBMUJFWSA-N -1 3 359.451 3.000 20 0 FGADHM COc1ccc(C)cc1NC(=O)[C@H](NCC(C)(C)C(=O)[O-])c1ccccc1 ZINC000832259498 601645345 /nfs/dbraw/zinc/64/53/45/601645345.db2.gz WERFAHJGTZGBIW-GOSISDBHSA-N -1 3 370.449 3.384 20 0 FGADHM C[C@H](C(=O)[O-])[C@@H](NCC(=O)N[C@@H]1CCCc2ccccc21)c1ccccc1 ZINC000826045353 601650178 /nfs/dbraw/zinc/65/01/78/601650178.db2.gz SFQJVABPDURQKD-NYSBEXSLSA-N -1 3 366.461 3.232 20 0 FGADHM C[C@H]1CN(c2ccccc2NCc2ccc(-c3nnn[n-]3)s2)C[C@H](C)O1 ZINC000824998980 607522025 /nfs/dbraw/zinc/52/20/25/607522025.db2.gz BKHWMYCABXSGLE-STQMWFEESA-N -1 3 370.482 3.154 20 0 FGADHM C[C@@H](C(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1)c1ccsc1 ZINC000825995171 601732611 /nfs/dbraw/zinc/73/26/11/601732611.db2.gz NZVSYUCZLOKYEC-QRWLVFNGSA-N -1 3 372.490 3.087 20 0 FGADHM Cc1ccc([C@@H](CNC(=O)NCC2(C(=O)[O-])CCCC2)N2CCCC2)cc1 ZINC000832924119 601771616 /nfs/dbraw/zinc/77/16/16/601771616.db2.gz SEJUQJLFCNLULU-GOSISDBHSA-N -1 3 373.497 3.076 20 0 FGADHM Cc1nc(-c2ccc(Cl)c(Cl)c2)n(CN2C[C@H](C(=O)[O-])[C@H](C)C2)n1 ZINC000832990785 601813426 /nfs/dbraw/zinc/81/34/26/601813426.db2.gz BQOULVVISQRBID-SKDRFNHKSA-N -1 3 369.252 3.170 20 0 FGADHM COc1cccc(-c2nc(CN[C@H](C(=O)[O-])C(C)C)cs2)c1OC ZINC000832514248 601824991 /nfs/dbraw/zinc/82/49/91/601824991.db2.gz CGMVOWWIHYBDGF-AWEZNQCLSA-N -1 3 350.440 3.026 20 0 FGADHM CC(=O)N1CCCCC[C@H]1C1CCN(Cc2ccsc2C(=O)[O-])CC1 ZINC000825834488 601825225 /nfs/dbraw/zinc/82/52/25/601825225.db2.gz SCXVJSUQCYKHFT-KRWDZBQOSA-N -1 3 364.511 3.449 20 0 FGADHM COc1ccc(CSC[C@H]2OCCc3ccccc32)cc1-c1nnn[n-]1 ZINC000826207436 607533572 /nfs/dbraw/zinc/53/35/72/607533572.db2.gz NUQWGHOVICKZIZ-GOSISDBHSA-N -1 3 368.462 3.423 20 0 FGADHM COc1ccc(CSC[C@H]2OCCc3ccccc32)cc1-c1nn[n-]n1 ZINC000826207436 607533574 /nfs/dbraw/zinc/53/35/74/607533574.db2.gz NUQWGHOVICKZIZ-GOSISDBHSA-N -1 3 368.462 3.423 20 0 FGADHM COc1ccc(CS[C@@H](C)c2nc(C3CC3)no2)cc1-c1nnn[n-]1 ZINC000826207635 607534294 /nfs/dbraw/zinc/53/42/94/607534294.db2.gz WHISBNQSTYHGLO-VIFPVBQESA-N -1 3 358.427 3.130 20 0 FGADHM COc1ccc(CS[C@@H](C)c2nc(C3CC3)no2)cc1-c1nn[n-]n1 ZINC000826207635 607534296 /nfs/dbraw/zinc/53/42/96/607534296.db2.gz WHISBNQSTYHGLO-VIFPVBQESA-N -1 3 358.427 3.130 20 0 FGADHM CN(C(=O)[O-])[C@@H]1CCCN(CCC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000739585190 601972316 /nfs/dbraw/zinc/97/23/16/601972316.db2.gz NSHSQAGKGBXPHD-GFCCVEGCSA-N -1 3 374.268 3.396 20 0 FGADHM O=C([O-])[C@@H](c1cc(Cl)cc(Cl)c1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000833170030 602042522 /nfs/dbraw/zinc/04/25/22/602042522.db2.gz DWJAOZKSMMMOCA-IAQYHMDHSA-N -1 3 369.252 3.123 20 0 FGADHM CC(C)OC(=O)c1ccc(CSc2cc(-c3nnn[n-]3)ccn2)cc1 ZINC000824309685 607543398 /nfs/dbraw/zinc/54/33/98/607543398.db2.gz VHUHBADABOTOBD-UHFFFAOYSA-N -1 3 355.423 3.119 20 0 FGADHM CC(C)OC(=O)c1ccc(CSc2cc(-c3nn[n-]n3)ccn2)cc1 ZINC000824309685 607543400 /nfs/dbraw/zinc/54/34/00/607543400.db2.gz VHUHBADABOTOBD-UHFFFAOYSA-N -1 3 355.423 3.119 20 0 FGADHM COc1ccc(CNC(=O)Nc2ccc(C)c(Cl)c2)cc1-c1nnn[n-]1 ZINC000826200562 607553336 /nfs/dbraw/zinc/55/33/36/607553336.db2.gz WNQUFFSAEOKOMT-UHFFFAOYSA-N -1 3 372.816 3.159 20 0 FGADHM COc1ccc(CNC(=O)Nc2ccc(C)c(Cl)c2)cc1-c1nn[n-]n1 ZINC000826200562 607553338 /nfs/dbraw/zinc/55/33/38/607553338.db2.gz WNQUFFSAEOKOMT-UHFFFAOYSA-N -1 3 372.816 3.159 20 0 FGADHM Cc1ccc([C@H](CNC(=O)Nc2cccc(CNC(=O)[O-])c2)N(C)C)cc1 ZINC000740117517 602452616 /nfs/dbraw/zinc/45/26/16/602452616.db2.gz KDTDAFUDFYHLIW-SFHVURJKSA-N -1 3 370.453 3.187 20 0 FGADHM CN(C)CCN(CC1CCCCC1)C(=O)c1ccc(CNC(=O)[O-])cc1 ZINC000739606600 602464169 /nfs/dbraw/zinc/46/41/69/602464169.db2.gz WVQKKJZDYZVVNS-UHFFFAOYSA-N -1 3 361.486 3.038 20 0 FGADHM Cc1cccc(S(=O)(=O)Oc2ccc3ccccc3c2)c1-c1nnn[n-]1 ZINC000826304267 607572061 /nfs/dbraw/zinc/57/20/61/607572061.db2.gz FGXQHCQULMZIIJ-UHFFFAOYSA-N -1 3 366.402 3.096 20 0 FGADHM COc1ccc(COC(=O)c2c(F)cccc2Cl)cc1-c1nnn[n-]1 ZINC000826205555 607595663 /nfs/dbraw/zinc/59/56/63/607595663.db2.gz AIAXAILTIYQIDM-UHFFFAOYSA-N -1 3 362.748 3.025 20 0 FGADHM 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AWYVJKABPHCGOE-MRXNPFEDSA-N -1 3 370.434 3.023 20 0 FGADHM Cc1ccc(N(C(C)C)S(=O)(=O)c2cccc(C)c2-c2nnn[n-]2)cc1 ZINC000826289722 607611583 /nfs/dbraw/zinc/61/15/83/607611583.db2.gz KPTXFXDTHPICGZ-UHFFFAOYSA-N -1 3 371.466 3.087 20 0 FGADHM Cc1ccc(N(C(C)C)S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)cc1 ZINC000826289722 607611585 /nfs/dbraw/zinc/61/15/85/607611585.db2.gz KPTXFXDTHPICGZ-UHFFFAOYSA-N -1 3 371.466 3.087 20 0 FGADHM COc1ccc(CNC(=O)Nc2cccc(Cl)c2C)cc1-c1nnn[n-]1 ZINC000826200398 607615766 /nfs/dbraw/zinc/61/57/66/607615766.db2.gz NPKGJZHJKJTMDE-UHFFFAOYSA-N -1 3 372.816 3.159 20 0 FGADHM COc1ccc(CNC(=O)Nc2cccc(Cl)c2C)cc1-c1nn[n-]n1 ZINC000826200398 607615767 /nfs/dbraw/zinc/61/57/67/607615767.db2.gz NPKGJZHJKJTMDE-UHFFFAOYSA-N -1 3 372.816 3.159 20 0 FGADHM C[C@@H](C(=O)NCc1ccccc1CN(C)C)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823704273 603245212 /nfs/dbraw/zinc/24/52/12/603245212.db2.gz ROUAHVATEOWRDJ-BEFAXECRSA-N -1 3 369.465 3.009 20 0 FGADHM CC(C)(C)OC(=O)Nc1ccc(CNC[C@H]2CCCCN2C(=O)[O-])cn1 ZINC000823827643 603543769 /nfs/dbraw/zinc/54/37/69/603543769.db2.gz CZOSHKGLLLIWLV-CQSZACIVSA-N -1 3 364.446 3.051 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1CN1CC[C@H]1c1ccc(Cl)cc1 ZINC000826182138 607637240 /nfs/dbraw/zinc/63/72/40/607637240.db2.gz AVFNUAOEUYFHFQ-INIZCTEOSA-N -1 3 355.829 3.476 20 0 FGADHM C[C@@H](N[C@@H]1CCN(C(=O)[O-])C1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000825480311 603643251 /nfs/dbraw/zinc/64/32/51/603643251.db2.gz VWKTUCOFARYJQG-RDTXWAMCSA-N -1 3 353.422 3.342 20 0 FGADHM O=C(Cc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)Nc1ccccc1 ZINC000826423950 607644867 /nfs/dbraw/zinc/64/48/67/607644867.db2.gz PCKFWFDCHIHXEM-UHFFFAOYSA-N -1 3 362.418 3.171 20 0 FGADHM O=C(Cc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)Nc1ccccc1 ZINC000826423950 607644869 /nfs/dbraw/zinc/64/48/69/607644869.db2.gz PCKFWFDCHIHXEM-UHFFFAOYSA-N -1 3 362.418 3.171 20 0 FGADHM CCOc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)cc2C)cc1OCC ZINC000825643593 607647563 /nfs/dbraw/zinc/64/75/63/607647563.db2.gz RDQBFOVFKISSBO-UHFFFAOYSA-N -1 3 367.409 3.225 20 0 FGADHM CCOc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)cc2C)cc1OCC ZINC000825643593 607647566 /nfs/dbraw/zinc/64/75/66/607647566.db2.gz RDQBFOVFKISSBO-UHFFFAOYSA-N -1 3 367.409 3.225 20 0 FGADHM O=C([O-])N1CCc2cccc(CNCc3ccc(Cn4cccn4)cc3)c21 ZINC000832087738 603848044 /nfs/dbraw/zinc/84/80/44/603848044.db2.gz ZEOKKCSXCILMAG-UHFFFAOYSA-N -1 3 362.433 3.262 20 0 FGADHM CN(CC(=O)N[C@@H](c1cccs1)C(C)(C)C)C1CCN(C(=O)[O-])CC1 ZINC000828101925 603979944 /nfs/dbraw/zinc/97/99/44/603979944.db2.gz DAOSWTGIXHJNJU-INIZCTEOSA-N -1 3 367.515 3.026 20 0 FGADHM COc1ccc(CN2CC[C@@H](CNC(=O)[O-])C2)cc1SC(F)(F)F ZINC000829363916 604044808 /nfs/dbraw/zinc/04/48/08/604044808.db2.gz ZHRSOIPEUSLXNN-NSHDSACASA-N -1 3 364.389 3.397 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H]1C[C@H]1c1sccc1C ZINC000825620754 607670162 /nfs/dbraw/zinc/67/01/62/607670162.db2.gz HEEQIYCYJCJVDG-CHWSQXEVSA-N -1 3 369.450 3.378 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1C[C@H]1c1sccc1C ZINC000825620754 607670164 /nfs/dbraw/zinc/67/01/64/607670164.db2.gz HEEQIYCYJCJVDG-CHWSQXEVSA-N -1 3 369.450 3.378 20 0 FGADHM CN(C)CCN(C(=O)Nc1ccc2c(c1)CCN2C(=O)[O-])C1CCCC1 ZINC000828024690 604081878 /nfs/dbraw/zinc/08/18/78/604081878.db2.gz STRCIYHQRLDYBT-UHFFFAOYSA-N -1 3 360.458 3.065 20 0 FGADHM COc1cccc(N(CC(C)C)C(=O)c2ccc(-c3nnn[n-]3)cc2C)c1 ZINC000826217076 607674860 /nfs/dbraw/zinc/67/48/60/607674860.db2.gz YBPQBFLVTMARSR-UHFFFAOYSA-N -1 3 365.437 3.487 20 0 FGADHM COc1cccc(N(CC(C)C)C(=O)c2ccc(-c3nn[n-]n3)cc2C)c1 ZINC000826217076 607674862 /nfs/dbraw/zinc/67/48/62/607674862.db2.gz YBPQBFLVTMARSR-UHFFFAOYSA-N -1 3 365.437 3.487 20 0 FGADHM C[C@@H](NC(=O)[O-])[C@H]1CCCN(C(=O)c2oc3ccccc3c2CN(C)C)C1 ZINC000825252477 604228695 /nfs/dbraw/zinc/22/86/95/604228695.db2.gz DXKSUGIAVYMQEX-KGLIPLIRSA-N -1 3 373.453 3.003 20 0 FGADHM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)N2CCN(C3CCCCC3)CC2)cc1 ZINC000825427099 604345746 /nfs/dbraw/zinc/34/57/46/604345746.db2.gz OVIUBUZTKDKGHZ-OAHLLOKOSA-N -1 3 374.485 3.497 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1nc(-c2ccco2)cs1 ZINC000826250458 607686994 /nfs/dbraw/zinc/68/69/94/607686994.db2.gz BWNGKDOQSHUQKH-UHFFFAOYSA-N -1 3 352.379 3.144 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1nc(-c2ccco2)cs1 ZINC000826250458 607686996 /nfs/dbraw/zinc/68/69/96/607686996.db2.gz BWNGKDOQSHUQKH-UHFFFAOYSA-N -1 3 352.379 3.144 20 0 FGADHM Cc1cc([C@H](C)N2CCC[C@@H](C(=O)Nc3ccc(C)cn3)C2)oc1C(=O)[O-] ZINC000832940649 604385073 /nfs/dbraw/zinc/38/50/73/604385073.db2.gz BHVGLOAPFHCGNC-LSDHHAIUSA-N -1 3 371.437 3.401 20 0 FGADHM COc1cc(OC)cc([C@@H](C(=O)[O-])N2CCC(c3nccs3)CC2)c1 ZINC000832041322 604463245 /nfs/dbraw/zinc/46/32/45/604463245.db2.gz REBMGYAGRANJQB-INIZCTEOSA-N -1 3 362.451 3.166 20 0 FGADHM COc1cc(CN2Cc3ccccc3C[C@@H]2C(=O)[O-])ccc1OC(C)C ZINC000831996051 604464041 /nfs/dbraw/zinc/46/40/41/604464041.db2.gz PTMISVHENMOPAL-GOSISDBHSA-N -1 3 355.434 3.494 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CC[C@H](c2ccccc2)[C@H](C)C1 ZINC000826244978 607696083 /nfs/dbraw/zinc/69/60/83/607696083.db2.gz JRMIRIPCAFSKFR-QAPCUYQASA-N -1 3 361.449 3.441 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CC[C@H](c2ccccc2)[C@H](C)C1 ZINC000826244978 607696085 /nfs/dbraw/zinc/69/60/85/607696085.db2.gz JRMIRIPCAFSKFR-QAPCUYQASA-N -1 3 361.449 3.441 20 0 FGADHM Cc1ccc(OC(F)F)c(CNC(=O)c2ccc(-c3nnn[n-]3)cc2C)c1 ZINC000826292125 607704060 /nfs/dbraw/zinc/70/40/60/607704060.db2.gz JDUMMCXKQZMJAH-UHFFFAOYSA-N -1 3 373.363 3.015 20 0 FGADHM Cc1ccc(OC(F)F)c(CNC(=O)c2ccc(-c3nn[n-]n3)cc2C)c1 ZINC000826292125 607704062 /nfs/dbraw/zinc/70/40/62/607704062.db2.gz JDUMMCXKQZMJAH-UHFFFAOYSA-N -1 3 373.363 3.015 20 0 FGADHM O=C([O-])[C@@H]1CC12CCN(Cc1ccccc1OCc1cccnc1)CC2 ZINC000833771510 604650250 /nfs/dbraw/zinc/65/02/50/604650250.db2.gz HTHGFGJXVHEKOB-SFHVURJKSA-N -1 3 352.434 3.347 20 0 FGADHM C[C@H](CN(CC(=O)N(C)[C@H](C)c1cc2ccccc2o1)C1CC1)C(=O)[O-] ZINC000827449868 604745246 /nfs/dbraw/zinc/74/52/46/604745246.db2.gz PDQRQCNBKBIKHN-ZIAGYGMSSA-N -1 3 358.438 3.137 20 0 FGADHM CN(C(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1ccc(Oc2ccccc2)cc1 ZINC000825826062 607712791 /nfs/dbraw/zinc/71/27/91/607712791.db2.gz UPPZWLLMNPYAQG-UHFFFAOYSA-N -1 3 360.377 3.264 20 0 FGADHM CN(C(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1ccc(Oc2ccccc2)cc1 ZINC000825826062 607712793 /nfs/dbraw/zinc/71/27/93/607712793.db2.gz UPPZWLLMNPYAQG-UHFFFAOYSA-N -1 3 360.377 3.264 20 0 FGADHM O=C([O-])[C@@H](O)C1CCN(Cc2ccc(OCc3cccc(F)c3)cc2)CC1 ZINC000833770450 604762266 /nfs/dbraw/zinc/76/22/66/604762266.db2.gz GNQWEMXVOFERSB-FQEVSTJZSA-N -1 3 373.424 3.062 20 0 FGADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000325445901 604942971 /nfs/dbraw/zinc/94/29/71/604942971.db2.gz MYQHWGQIKPZWQE-CYBMUJFWSA-N -1 3 353.846 3.434 20 0 FGADHM CN(C(=O)CN1CCC[C@H]1CC(=O)[O-])C(c1ccccc1)c1ccccc1 ZINC000833684468 604970298 /nfs/dbraw/zinc/97/02/98/604970298.db2.gz DOWSZMWNJHBKGQ-IBGZPJMESA-N -1 3 366.461 3.174 20 0 FGADHM CCSc1ccc(CC(=O)OCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000825674845 607728583 /nfs/dbraw/zinc/72/85/83/607728583.db2.gz STIZSAKXSUPAOM-UHFFFAOYSA-N -1 3 354.435 3.265 20 0 FGADHM CCSc1ccc(CC(=O)OCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825674845 607728584 /nfs/dbraw/zinc/72/85/84/607728584.db2.gz STIZSAKXSUPAOM-UHFFFAOYSA-N -1 3 354.435 3.265 20 0 FGADHM COc1cc(NCCNc2ccc(-c3nnn[n-]3)c(Cl)c2)cc(OC)c1 ZINC000826180325 607730183 /nfs/dbraw/zinc/73/01/83/607730183.db2.gz BTBAYLNSZNJOGH-UHFFFAOYSA-N -1 3 374.832 3.061 20 0 FGADHM COc1cc(NCCNc2ccc(-c3nn[n-]n3)c(Cl)c2)cc(OC)c1 ZINC000826180325 607730185 /nfs/dbraw/zinc/73/01/85/607730185.db2.gz BTBAYLNSZNJOGH-UHFFFAOYSA-N -1 3 374.832 3.061 20 0 FGADHM O=C(c1ccc(-c2nnn[n-]2)[nH]1)N1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000826471525 607731779 /nfs/dbraw/zinc/73/17/79/607731779.db2.gz CPFNDOVTFDGPQB-KRWDZBQOSA-N -1 3 361.409 3.044 20 0 FGADHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000826471525 607731781 /nfs/dbraw/zinc/73/17/81/607731781.db2.gz CPFNDOVTFDGPQB-KRWDZBQOSA-N -1 3 361.409 3.044 20 0 FGADHM CN(C[C@@H]1CCCN1Cc1ccccc1CC(=O)[O-])C(=O)OC(C)(C)C ZINC000833693369 605073341 /nfs/dbraw/zinc/07/33/41/605073341.db2.gz VHAGRQMBWGDTLD-KRWDZBQOSA-N -1 3 362.470 3.145 20 0 FGADHM CC(C)OC1CCC(Nc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)CC1 ZINC000824309279 607734663 /nfs/dbraw/zinc/73/46/63/607734663.db2.gz JLCCUUDYIKSIJE-UHFFFAOYSA-N -1 3 370.379 3.429 20 0 FGADHM CC(C)OC1CCC(Nc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)CC1 ZINC000824309279 607734664 /nfs/dbraw/zinc/73/46/64/607734664.db2.gz JLCCUUDYIKSIJE-UHFFFAOYSA-N -1 3 370.379 3.429 20 0 FGADHM Fc1ccc(N2CC[C@H](Oc3ccccc3Cl)C2)c(-c2nnn[n-]2)c1 ZINC000826375609 607737659 /nfs/dbraw/zinc/73/76/59/607737659.db2.gz UTLKFBPTCLNZBY-LBPRGKRZSA-N -1 3 359.792 3.317 20 0 FGADHM Fc1ccc(N2CC[C@H](Oc3ccccc3Cl)C2)c(-c2nn[n-]n2)c1 ZINC000826375609 607737660 /nfs/dbraw/zinc/73/76/60/607737660.db2.gz UTLKFBPTCLNZBY-LBPRGKRZSA-N -1 3 359.792 3.317 20 0 FGADHM CC(C)(C(=O)[O-])[C@H](NCC(=O)N1CCc2sccc2C1)c1ccccc1 ZINC000833411881 605174957 /nfs/dbraw/zinc/17/49/57/605174957.db2.gz FDKQAZBKDLVUMB-GOSISDBHSA-N -1 3 372.490 3.075 20 0 FGADHM CC(C)(C(=O)[O-])[C@@H](NCC(=O)N1CCc2ccccc2C1)c1ccccc1 ZINC000833411473 605177183 /nfs/dbraw/zinc/17/71/83/605177183.db2.gz CFRMPMQDYVEYTI-FQEVSTJZSA-N -1 3 366.461 3.013 20 0 FGADHM C[C@@H]1CCCC[C@@H]1N(C)C(=O)CN[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000833609539 605179389 /nfs/dbraw/zinc/17/93/89/605179389.db2.gz ASSZMJNKLJGMPD-HHXXYDBFSA-N -1 3 360.498 3.465 20 0 FGADHM C[C@@H]1CCCC[C@H]1N(C)C(=O)CN[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000833609541 605179618 /nfs/dbraw/zinc/17/96/18/605179618.db2.gz ASSZMJNKLJGMPD-SUMDDJOVSA-N -1 3 360.498 3.465 20 0 FGADHM CC(C)(C(=O)[O-])[C@@H](NCC(=O)Nc1c(F)cccc1F)c1ccccc1 ZINC000833411958 605181986 /nfs/dbraw/zinc/18/19/86/605181986.db2.gz GBHPXEHGGCEQJZ-KRWDZBQOSA-N -1 3 362.376 3.345 20 0 FGADHM c1ccc2nc(N3CCC(C4CCOCC4)CC3)c(-c3nnn[n-]3)cc2c1 ZINC000826524076 607739389 /nfs/dbraw/zinc/73/93/89/607739389.db2.gz IMZQDBSOFZNVNX-UHFFFAOYSA-N -1 3 364.453 3.058 20 0 FGADHM c1ccc2nc(N3CCC(C4CCOCC4)CC3)c(-c3nn[n-]n3)cc2c1 ZINC000826524076 607739390 /nfs/dbraw/zinc/73/93/90/607739390.db2.gz IMZQDBSOFZNVNX-UHFFFAOYSA-N -1 3 364.453 3.058 20 0 FGADHM O=C(Nc1cccc2ccsc21)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000826457040 607776978 /nfs/dbraw/zinc/77/69/78/607776978.db2.gz JQASNHRDBMLILC-UHFFFAOYSA-N -1 3 356.798 3.382 20 0 FGADHM Fc1ccc(CN2CC[C@@H](Oc3ccccc3Cl)C2)cc1-c1nnn[n-]1 ZINC000826374598 607753220 /nfs/dbraw/zinc/75/32/20/607753220.db2.gz FIJMFAXCKDUTFT-CYBMUJFWSA-N -1 3 373.819 3.313 20 0 FGADHM O=C(Nc1cccc2ccsc21)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000826457040 607776979 /nfs/dbraw/zinc/77/69/79/607776979.db2.gz JQASNHRDBMLILC-UHFFFAOYSA-N -1 3 356.798 3.382 20 0 FGADHM Cc1nn(Cc2ccccc2)c(C)c1CN1CC[C@H](NC(=O)[O-])[C@H](C)C1 ZINC000833922094 605593399 /nfs/dbraw/zinc/59/33/99/605593399.db2.gz YLHTVZQRFCLZLP-KUHUBIRLSA-N -1 3 356.470 3.026 20 0 FGADHM Cc1nn(Cc2ccccc2)c(C)c1CN1CCC[C@H]([C@@H](C)NC(=O)[O-])C1 ZINC000833921023 605598617 /nfs/dbraw/zinc/59/86/17/605598617.db2.gz QABXUBJPOYVRAS-BEFAXECRSA-N -1 3 370.497 3.416 20 0 FGADHM O=C([O-])N1CC[C@]2(C1)C[C@H](NCCOC1CCCC1)c1ccccc1O2 ZINC000834085655 605633940 /nfs/dbraw/zinc/63/39/40/605633940.db2.gz MHVRZGRKCGHGLN-FXAWDEMLSA-N -1 3 360.454 3.182 20 0 FGADHM O=C(N[C@H](CC1CCCC1)c1ccccc1)c1ccc(-c2nnn[n-]2)cn1 ZINC000826426290 607768107 /nfs/dbraw/zinc/76/81/07/607768107.db2.gz KGXRGAIEVIIRFG-GOSISDBHSA-N -1 3 362.437 3.313 20 0 FGADHM O=C(N[C@H](CC1CCCC1)c1ccccc1)c1ccc(-c2nn[n-]n2)cn1 ZINC000826426290 607768108 /nfs/dbraw/zinc/76/81/08/607768108.db2.gz KGXRGAIEVIIRFG-GOSISDBHSA-N -1 3 362.437 3.313 20 0 FGADHM O=C(Cc1cccs1)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000826424177 607771284 /nfs/dbraw/zinc/77/12/84/607771284.db2.gz ZEAFLKCKXLVDQT-UHFFFAOYSA-N -1 3 368.447 3.233 20 0 FGADHM O=C(Cc1cccs1)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826424177 607771285 /nfs/dbraw/zinc/77/12/85/607771285.db2.gz ZEAFLKCKXLVDQT-UHFFFAOYSA-N -1 3 368.447 3.233 20 0 FGADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1cccc2ccsc21 ZINC000824757176 607771857 /nfs/dbraw/zinc/77/18/57/607771857.db2.gz TZIDMKUHFCCXJS-NSHDSACASA-N -1 3 365.418 3.487 20 0 FGADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1cccc2ccsc21 ZINC000824757176 607771858 /nfs/dbraw/zinc/77/18/58/607771858.db2.gz TZIDMKUHFCCXJS-NSHDSACASA-N -1 3 365.418 3.487 20 0 FGADHM Cc1ccc(CN(CCN(C)C)C(=O)c2ccc(NC(=O)[O-])c(C)c2)o1 ZINC000830308195 605712112 /nfs/dbraw/zinc/71/21/12/605712112.db2.gz HAMNATZQMRYRGC-UHFFFAOYSA-N -1 3 359.426 3.190 20 0 FGADHM CC(C)[C@@H](NC(=O)CN(C)C1C[C@H]2CC[C@@H](C1)N2C(=O)[O-])c1ccccc1 ZINC000833792190 605875465 /nfs/dbraw/zinc/87/54/65/605875465.db2.gz BAFALJVVOGIICH-NHJHPMQKSA-N -1 3 373.497 3.105 20 0 FGADHM c1ccc2sc([C@@H]3CCCN(c4ccc(-c5nnn[n-]5)nc4)C3)nc2c1 ZINC000823801860 606028225 /nfs/dbraw/zinc/02/82/25/606028225.db2.gz CYFCQDYBVJBLMU-GFCCVEGCSA-N -1 3 363.450 3.255 20 0 FGADHM c1ccc2sc([C@@H]3CCCN(c4ccc(-c5nn[n-]n5)nc4)C3)nc2c1 ZINC000823801860 606028227 /nfs/dbraw/zinc/02/82/27/606028227.db2.gz CYFCQDYBVJBLMU-GFCCVEGCSA-N -1 3 363.450 3.255 20 0 FGADHM O=C([O-])Nc1ccccc1CC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000834270590 606041919 /nfs/dbraw/zinc/04/19/19/606041919.db2.gz JJABJSSHKQZRAT-UHFFFAOYSA-N -1 3 367.449 3.054 20 0 FGADHM c1ccc(OCc2ccc(CNc3ccc(-c4nnn[n-]4)nc3)cc2)cc1 ZINC000823791635 606045239 /nfs/dbraw/zinc/04/52/39/606045239.db2.gz GOPPZHSPQWASOG-UHFFFAOYSA-N -1 3 358.405 3.453 20 0 FGADHM c1ccc(OCc2ccc(CNc3ccc(-c4nn[n-]n4)nc3)cc2)cc1 ZINC000823791635 606045245 /nfs/dbraw/zinc/04/52/45/606045245.db2.gz GOPPZHSPQWASOG-UHFFFAOYSA-N -1 3 358.405 3.453 20 0 FGADHM O=C([O-])Nc1ccccc1CC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000834271817 606046478 /nfs/dbraw/zinc/04/64/78/606046478.db2.gz MHUBHXJYFQGNAE-SFHVURJKSA-N -1 3 367.449 3.100 20 0 FGADHM C[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1cccnc1 ZINC000819865774 606052312 /nfs/dbraw/zinc/05/23/12/606052312.db2.gz HOHPCSUZXWEAIP-VIFPVBQESA-N -1 3 362.315 3.023 20 0 FGADHM C[C@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1cccnc1 ZINC000819865774 606052316 /nfs/dbraw/zinc/05/23/16/606052316.db2.gz HOHPCSUZXWEAIP-VIFPVBQESA-N -1 3 362.315 3.023 20 0 FGADHM Cc1ccc2[nH]cc(CCC(=O)Nc3sccc3-c3nnn[n-]3)c2c1 ZINC000822274536 606054523 /nfs/dbraw/zinc/05/45/23/606054523.db2.gz AEQIFAXLNZEPPH-UHFFFAOYSA-N -1 3 352.423 3.289 20 0 FGADHM Cc1ccc2[nH]cc(CCC(=O)Nc3sccc3-c3nn[n-]n3)c2c1 ZINC000822274536 606054527 /nfs/dbraw/zinc/05/45/27/606054527.db2.gz AEQIFAXLNZEPPH-UHFFFAOYSA-N -1 3 352.423 3.289 20 0 FGADHM CC1(C)CCC[C@H]1NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000820589624 606119857 /nfs/dbraw/zinc/11/98/57/606119857.db2.gz JHSWWFNJSWDKIF-MRXNPFEDSA-N -1 3 357.458 3.111 20 0 FGADHM CC1(C)CCC[C@H]1NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000820589624 606119858 /nfs/dbraw/zinc/11/98/58/606119858.db2.gz JHSWWFNJSWDKIF-MRXNPFEDSA-N -1 3 357.458 3.111 20 0 FGADHM CC(C)(C)c1cnc(CNc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)o1 ZINC000819965985 606138319 /nfs/dbraw/zinc/13/83/19/606138319.db2.gz REAIQYXRFKHRAY-UHFFFAOYSA-N -1 3 367.335 3.178 20 0 FGADHM CC(C)(C)c1cnc(CNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)o1 ZINC000819965985 606138320 /nfs/dbraw/zinc/13/83/20/606138320.db2.gz REAIQYXRFKHRAY-UHFFFAOYSA-N -1 3 367.335 3.178 20 0 FGADHM O=C(C/C=C\c1ccc(F)cc1)OCCOc1cccc(-c2nnn[n-]2)c1 ZINC000822945431 606147986 /nfs/dbraw/zinc/14/79/86/606147986.db2.gz FBIUFSOOVSAPSN-IWQZZHSRSA-N -1 3 368.368 3.031 20 0 FGADHM O=C(C/C=C\c1ccc(F)cc1)OCCOc1cccc(-c2nn[n-]n2)c1 ZINC000822945431 606147988 /nfs/dbraw/zinc/14/79/88/606147988.db2.gz FBIUFSOOVSAPSN-IWQZZHSRSA-N -1 3 368.368 3.031 20 0 FGADHM Cc1ccc(C(=O)Nc2sccc2-c2nnn[n-]2)cc1Br ZINC000822227634 606148135 /nfs/dbraw/zinc/14/81/35/606148135.db2.gz QBJQRYCRFASNMF-UHFFFAOYSA-N -1 3 364.228 3.251 20 0 FGADHM Cc1ccc(C(=O)Nc2sccc2-c2nn[n-]n2)cc1Br ZINC000822227634 606148137 /nfs/dbraw/zinc/14/81/37/606148137.db2.gz QBJQRYCRFASNMF-UHFFFAOYSA-N -1 3 364.228 3.251 20 0 FGADHM C[C@H](NC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc(-c2cccnc2)cc1 ZINC000820397298 606149244 /nfs/dbraw/zinc/14/92/44/606149244.db2.gz NUEIOIYRUMSWIO-AWEZNQCLSA-N -1 3 370.416 3.420 20 0 FGADHM C[C@H](NC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc(-c2cccnc2)cc1 ZINC000820397298 606149246 /nfs/dbraw/zinc/14/92/46/606149246.db2.gz NUEIOIYRUMSWIO-AWEZNQCLSA-N -1 3 370.416 3.420 20 0 FGADHM CN(Cc1nc2c(s1)CCCC2)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821617121 606164544 /nfs/dbraw/zinc/16/45/44/606164544.db2.gz XSUCEVKFNUWUCY-UHFFFAOYSA-N -1 3 362.409 3.117 20 0 FGADHM CN(Cc1nc2c(s1)CCCC2)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821617121 606164545 /nfs/dbraw/zinc/16/45/45/606164545.db2.gz XSUCEVKFNUWUCY-UHFFFAOYSA-N -1 3 362.409 3.117 20 0 FGADHM CC1(C)CCC[C@@H]1NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000820589663 606176517 /nfs/dbraw/zinc/17/65/17/606176517.db2.gz JUYCQMFDCQYVRR-INIZCTEOSA-N -1 3 354.458 3.119 20 0 FGADHM CC1(C)CCC[C@@H]1NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000820589663 606176518 /nfs/dbraw/zinc/17/65/18/606176518.db2.gz JUYCQMFDCQYVRR-INIZCTEOSA-N -1 3 354.458 3.119 20 0 FGADHM C[C@H](SCC(=O)N1[C@H](C)CCC[C@@H]1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820550303 606179008 /nfs/dbraw/zinc/17/90/08/606179008.db2.gz WJVZAEJJIZZHMT-MJBXVCDLSA-N -1 3 359.499 3.450 20 0 FGADHM C[C@H](SCC(=O)N1[C@H](C)CCC[C@@H]1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820550303 606179010 /nfs/dbraw/zinc/17/90/10/606179010.db2.gz WJVZAEJJIZZHMT-MJBXVCDLSA-N -1 3 359.499 3.450 20 0 FGADHM O=[S@@](Cc1csc(-c2ccoc2)n1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000823614956 606181541 /nfs/dbraw/zinc/18/15/41/606181541.db2.gz VNPZXURCZYFJFG-RUZDIDTESA-N -1 3 371.447 3.032 20 0 FGADHM O=[S@@](Cc1csc(-c2ccoc2)n1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000823614956 606181543 /nfs/dbraw/zinc/18/15/43/606181543.db2.gz VNPZXURCZYFJFG-RUZDIDTESA-N -1 3 371.447 3.032 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CSc1ccccc1 ZINC000821122925 606192312 /nfs/dbraw/zinc/19/23/12/606192312.db2.gz CEHVEWPKBVYGPO-UHFFFAOYSA-N -1 3 368.466 3.419 20 0 FGADHM Clc1ccc2sc(CNCc3cc(-c4nnn[n-]4)cs3)nc2c1 ZINC000822582043 606214191 /nfs/dbraw/zinc/21/41/91/606214191.db2.gz OVQSHNNITZXPJB-UHFFFAOYSA-N -1 3 362.871 3.481 20 0 FGADHM Clc1ccc2sc(CNCc3cc(-c4nn[n-]n4)cs3)nc2c1 ZINC000822582043 606214194 /nfs/dbraw/zinc/21/41/94/606214194.db2.gz OVQSHNNITZXPJB-UHFFFAOYSA-N -1 3 362.871 3.481 20 0 FGADHM C[C@H](c1ccccc1Cl)N(C(=O)c1cc(-c2nnn[n-]2)cn1C)C1CC1 ZINC000820571117 606220122 /nfs/dbraw/zinc/22/01/22/606220122.db2.gz VZSWRCGWYXBKCB-LLVKDONJSA-N -1 3 370.844 3.224 20 0 FGADHM C[C@H](c1ccccc1Cl)N(C(=O)c1cc(-c2nn[n-]n2)cn1C)C1CC1 ZINC000820571117 606220125 /nfs/dbraw/zinc/22/01/25/606220125.db2.gz VZSWRCGWYXBKCB-LLVKDONJSA-N -1 3 370.844 3.224 20 0 FGADHM CC(C)c1noc(-c2ccnc(NCc3ccc(-c4nnn[n-]4)cc3)c2)n1 ZINC000820211350 606221158 /nfs/dbraw/zinc/22/11/58/606221158.db2.gz JJILRIJLOSRMDE-UHFFFAOYSA-N -1 3 362.397 3.047 20 0 FGADHM CC(C)c1noc(-c2ccnc(NCc3ccc(-c4nn[n-]n4)cc3)c2)n1 ZINC000820211350 606221160 /nfs/dbraw/zinc/22/11/60/606221160.db2.gz JJILRIJLOSRMDE-UHFFFAOYSA-N -1 3 362.397 3.047 20 0 FGADHM CCN(CCc1cccs1)c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000821220666 606240278 /nfs/dbraw/zinc/24/02/78/606240278.db2.gz DHUHRMHDRCPLRQ-UHFFFAOYSA-N -1 3 368.388 3.411 20 0 FGADHM CCN(CCc1cccs1)c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000821220666 606240280 /nfs/dbraw/zinc/24/02/80/606240280.db2.gz DHUHRMHDRCPLRQ-UHFFFAOYSA-N -1 3 368.388 3.411 20 0 FGADHM Cc1c(Cl)cccc1N[C@@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O ZINC000822035443 606241843 /nfs/dbraw/zinc/24/18/43/606241843.db2.gz VCPOBRYHJPLRML-CYBMUJFWSA-N -1 3 374.857 3.107 20 0 FGADHM Cc1c(Cl)cccc1N[C@@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O ZINC000822035443 606241845 /nfs/dbraw/zinc/24/18/45/606241845.db2.gz VCPOBRYHJPLRML-CYBMUJFWSA-N -1 3 374.857 3.107 20 0 FGADHM Cc1ccc(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)c(OCc2ccccc2)c1 ZINC000822249042 606259350 /nfs/dbraw/zinc/25/93/50/606259350.db2.gz ZNHZMELKBGHOJL-UHFFFAOYSA-N -1 3 374.404 3.335 20 0 FGADHM Cc1ccc(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)c(OCc2ccccc2)c1 ZINC000822249042 606259351 /nfs/dbraw/zinc/25/93/51/606259351.db2.gz ZNHZMELKBGHOJL-UHFFFAOYSA-N -1 3 374.404 3.335 20 0 FGADHM Cc1c2cc(F)ccc2oc1C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000822021038 606261812 /nfs/dbraw/zinc/26/18/12/606261812.db2.gz SSXJIUAVHFMRLG-UHFFFAOYSA-N -1 3 355.304 3.452 20 0 FGADHM Cc1c2cc(F)ccc2oc1C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000822021038 606261814 /nfs/dbraw/zinc/26/18/14/606261814.db2.gz SSXJIUAVHFMRLG-UHFFFAOYSA-N -1 3 355.304 3.452 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)c1cccc(C(F)(F)F)c1 ZINC000823346898 606268256 /nfs/dbraw/zinc/26/82/56/606268256.db2.gz SGEQLGXCWQXOBB-UHFFFAOYSA-N -1 3 351.263 3.277 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)c1cccc(C(F)(F)F)c1 ZINC000823346898 606268258 /nfs/dbraw/zinc/26/82/58/606268258.db2.gz SGEQLGXCWQXOBB-UHFFFAOYSA-N -1 3 351.263 3.277 20 0 FGADHM O=C(Nc1ccc(NCCc2ccccc2)cc1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823350244 606270352 /nfs/dbraw/zinc/27/03/52/606270352.db2.gz FWEYTETWUZQYFB-UHFFFAOYSA-N -1 3 373.420 3.102 20 0 FGADHM O=C(Nc1ccc(NCCc2ccccc2)cc1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823350244 606270354 /nfs/dbraw/zinc/27/03/54/606270354.db2.gz FWEYTETWUZQYFB-UHFFFAOYSA-N -1 3 373.420 3.102 20 0 FGADHM Cc1cccc(COc2cccc(NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)c2)c1 ZINC000822304086 606274548 /nfs/dbraw/zinc/27/45/48/606274548.db2.gz PPGMLSFXQLFXTH-UHFFFAOYSA-N -1 3 374.404 3.335 20 0 FGADHM Cc1cccc(COc2cccc(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)c2)c1 ZINC000822304086 606274549 /nfs/dbraw/zinc/27/45/49/606274549.db2.gz PPGMLSFXQLFXTH-UHFFFAOYSA-N -1 3 374.404 3.335 20 0 FGADHM O=C(N[C@@H](c1ccc(Cl)cc1)C1CCC1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823139745 606277741 /nfs/dbraw/zinc/27/77/41/606277741.db2.gz LGDHJZVDHQAIRM-OAHLLOKOSA-N -1 3 356.817 3.119 20 0 FGADHM O=C(N[C@@H](c1ccc(Cl)cc1)C1CCC1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823139745 606277743 /nfs/dbraw/zinc/27/77/43/606277743.db2.gz LGDHJZVDHQAIRM-OAHLLOKOSA-N -1 3 356.817 3.119 20 0 FGADHM CC[C@H](Oc1ccccc1F)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820938723 606289945 /nfs/dbraw/zinc/28/99/45/606289945.db2.gz MMMVVXGZONJHKS-WBMJQRKESA-N -1 3 369.400 3.041 20 0 FGADHM CC[C@H](Oc1ccccc1F)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820938723 606289947 /nfs/dbraw/zinc/28/99/47/606289947.db2.gz MMMVVXGZONJHKS-WBMJQRKESA-N -1 3 369.400 3.041 20 0 FGADHM CC[C@@H](N[C@H](C(=O)OC)c1cccc(-c2nnn[n-]2)c1)C1CCCCC1 ZINC000820921363 606303895 /nfs/dbraw/zinc/30/38/95/606303895.db2.gz YNUDFLNYRDWGJY-SJORKVTESA-N -1 3 357.458 3.029 20 0 FGADHM CC[C@@H](N[C@H](C(=O)OC)c1cccc(-c2nn[n-]n2)c1)C1CCCCC1 ZINC000820921363 606303898 /nfs/dbraw/zinc/30/38/98/606303898.db2.gz YNUDFLNYRDWGJY-SJORKVTESA-N -1 3 357.458 3.029 20 0 FGADHM Cc1cccc([C@H]2CCCCCN2C(=O)c2cc(-c3nnn[n-]3)c[nH]2)c1 ZINC000822299721 606321708 /nfs/dbraw/zinc/32/17/08/606321708.db2.gz SGMHDDZDWZXMED-QGZVFWFLSA-N -1 3 350.426 3.261 20 0 FGADHM Cc1cccc([C@H]2CCCCCN2C(=O)c2cc(-c3nn[n-]n3)c[nH]2)c1 ZINC000822299721 606321711 /nfs/dbraw/zinc/32/17/11/606321711.db2.gz SGMHDDZDWZXMED-QGZVFWFLSA-N -1 3 350.426 3.261 20 0 FGADHM Clc1cccc(-c2noc(CNc3cccc(-c4nnn[n-]4)c3)n2)c1 ZINC000822586116 606322664 /nfs/dbraw/zinc/32/26/64/606322664.db2.gz SHISVROBZAAUQK-UHFFFAOYSA-N -1 3 353.773 3.182 20 0 FGADHM Clc1cccc(-c2noc(CNc3cccc(-c4nn[n-]n4)c3)n2)c1 ZINC000822586116 606322667 /nfs/dbraw/zinc/32/26/67/606322667.db2.gz SHISVROBZAAUQK-UHFFFAOYSA-N -1 3 353.773 3.182 20 0 FGADHM Cc1cccc([C@@H]2CCCCN2C(=O)c2cc(-c3nnn[n-]3)c[nH]2)c1C ZINC000822299378 606323801 /nfs/dbraw/zinc/32/38/01/606323801.db2.gz HBAWOROOUAZXJM-KRWDZBQOSA-N -1 3 350.426 3.179 20 0 FGADHM Cc1cccc([C@@H]2CCCCN2C(=O)c2cc(-c3nn[n-]n3)c[nH]2)c1C ZINC000822299378 606323803 /nfs/dbraw/zinc/32/38/03/606323803.db2.gz HBAWOROOUAZXJM-KRWDZBQOSA-N -1 3 350.426 3.179 20 0 FGADHM O=C1[C@@H](Sc2cccc(-c3nnn[n-]3)c2)CCN1c1ccc(Cl)cc1 ZINC000823512628 606325950 /nfs/dbraw/zinc/32/59/50/606325950.db2.gz PTTMZUGSEPSCNP-HNNXBMFYSA-N -1 3 371.853 3.418 20 0 FGADHM O=C1[C@@H](Sc2cccc(-c3nn[n-]n3)c2)CCN1c1ccc(Cl)cc1 ZINC000823512628 606325952 /nfs/dbraw/zinc/32/59/52/606325952.db2.gz PTTMZUGSEPSCNP-HNNXBMFYSA-N -1 3 371.853 3.418 20 0 FGADHM C[C@@H](NC(=O)[C@H](C)Sc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000820555910 606326983 /nfs/dbraw/zinc/32/69/83/606326983.db2.gz QSNWDDATEWWKDD-OLZOCXBDSA-N -1 3 353.451 3.225 20 0 FGADHM C[C@@H](NC(=O)[C@H](C)Sc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000820555910 606326984 /nfs/dbraw/zinc/32/69/84/606326984.db2.gz QSNWDDATEWWKDD-OLZOCXBDSA-N -1 3 353.451 3.225 20 0 FGADHM CCC(=O)Nc1ccc(C(=O)CSc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000820837072 606327632 /nfs/dbraw/zinc/32/76/32/606327632.db2.gz GZEIRSWLSHKIES-UHFFFAOYSA-N -1 3 367.434 3.190 20 0 FGADHM CCC(=O)Nc1ccc(C(=O)CSc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000820837072 606327634 /nfs/dbraw/zinc/32/76/34/606327634.db2.gz GZEIRSWLSHKIES-UHFFFAOYSA-N -1 3 367.434 3.190 20 0 FGADHM O=C(CSc1cccc(-c2nnn[n-]2)c1)Nc1ccc(F)c(Cl)c1 ZINC000823070480 606327763 /nfs/dbraw/zinc/32/77/63/606327763.db2.gz AEASAWYYBVNFOH-UHFFFAOYSA-N -1 3 363.805 3.390 20 0 FGADHM O=C(CSc1cccc(-c2nn[n-]n2)c1)Nc1ccc(F)c(Cl)c1 ZINC000823070480 606327765 /nfs/dbraw/zinc/32/77/65/606327765.db2.gz AEASAWYYBVNFOH-UHFFFAOYSA-N -1 3 363.805 3.390 20 0 FGADHM C[C@@H](OC(=O)c1ccc(-c2cnco2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820506629 606342707 /nfs/dbraw/zinc/34/27/07/606342707.db2.gz BZVMYEQELWQGGH-GFCCVEGCSA-N -1 3 361.361 3.440 20 0 FGADHM C[C@@H](OC(=O)c1ccc(-c2cnco2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820506629 606342709 /nfs/dbraw/zinc/34/27/09/606342709.db2.gz BZVMYEQELWQGGH-GFCCVEGCSA-N -1 3 361.361 3.440 20 0 FGADHM COc1cc(CC(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)ccc1C ZINC000821712771 606343241 /nfs/dbraw/zinc/34/32/41/606343241.db2.gz MCCWVNVCWKEYGA-CYBMUJFWSA-N -1 3 352.394 3.031 20 0 FGADHM COc1cc(CC(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)ccc1C ZINC000821712771 606343242 /nfs/dbraw/zinc/34/32/42/606343242.db2.gz MCCWVNVCWKEYGA-CYBMUJFWSA-N -1 3 352.394 3.031 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)N[C@@H](Cc1ccccc1)C1CC1 ZINC000823344307 606346741 /nfs/dbraw/zinc/34/67/41/606346741.db2.gz UQORFSRFXOPWNW-KRWDZBQOSA-N -1 3 366.400 3.149 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)N[C@@H](Cc1ccccc1)C1CC1 ZINC000823344307 606346742 /nfs/dbraw/zinc/34/67/42/606346742.db2.gz UQORFSRFXOPWNW-KRWDZBQOSA-N -1 3 366.400 3.149 20 0 FGADHM CC(C)Oc1ccccc1CNC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820178161 606347391 /nfs/dbraw/zinc/34/73/91/606347391.db2.gz IRGJKLSMMVQAOR-UHFFFAOYSA-N -1 3 370.388 3.115 20 0 FGADHM CC(C)Oc1ccccc1CNC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820178161 606347393 /nfs/dbraw/zinc/34/73/93/606347393.db2.gz IRGJKLSMMVQAOR-UHFFFAOYSA-N -1 3 370.388 3.115 20 0 FGADHM CCc1cccc(OCC(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821492464 606349831 /nfs/dbraw/zinc/34/98/31/606349831.db2.gz NQXQHLDNYJSDMX-CYBMUJFWSA-N -1 3 352.394 3.112 20 0 FGADHM CCc1cccc(OCC(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821492464 606349832 /nfs/dbraw/zinc/34/98/32/606349832.db2.gz NQXQHLDNYJSDMX-CYBMUJFWSA-N -1 3 352.394 3.112 20 0 FGADHM COc1ccc(C=CC(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821786297 606350055 /nfs/dbraw/zinc/35/00/55/606350055.db2.gz CSHJMRNHJYTNNT-YFTXEMMHSA-N -1 3 350.378 3.193 20 0 FGADHM COc1ccc(C=CC(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821786297 606350057 /nfs/dbraw/zinc/35/00/57/606350057.db2.gz CSHJMRNHJYTNNT-YFTXEMMHSA-N -1 3 350.378 3.193 20 0 FGADHM Cc1ccc([C@H]2CCCN2C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)o1 ZINC000822233375 606351475 /nfs/dbraw/zinc/35/14/75/606351475.db2.gz NKYMMIXZVMGOSP-CQSZACIVSA-N -1 3 356.361 3.276 20 0 FGADHM Cc1ccc([C@H]2CCCN2C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)o1 ZINC000822233375 606351476 /nfs/dbraw/zinc/35/14/76/606351476.db2.gz NKYMMIXZVMGOSP-CQSZACIVSA-N -1 3 356.361 3.276 20 0 FGADHM O=C(Nc1ccccc1OCC1CC1)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000823372914 606354879 /nfs/dbraw/zinc/35/48/79/606354879.db2.gz NKAFTXPUPDXCCJ-UHFFFAOYSA-N -1 3 368.372 3.439 20 0 FGADHM O=C(Nc1ccccc1OCC1CC1)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000823372914 606354881 /nfs/dbraw/zinc/35/48/81/606354881.db2.gz NKAFTXPUPDXCCJ-UHFFFAOYSA-N -1 3 368.372 3.439 20 0 FGADHM CCS[C@@H]1CCC[C@@H](NC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000821455827 606384340 /nfs/dbraw/zinc/38/43/40/606384340.db2.gz LYGROZKFMLPWCC-DAXOMENPSA-N -1 3 374.514 3.291 20 0 FGADHM CCS[C@@H]1CCC[C@@H](NC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000821455827 606384343 /nfs/dbraw/zinc/38/43/43/606384343.db2.gz LYGROZKFMLPWCC-DAXOMENPSA-N -1 3 374.514 3.291 20 0 FGADHM COc1cccc(C[C@@H]2CCCN2c2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000821863744 606400992 /nfs/dbraw/zinc/40/09/92/606400992.db2.gz OKLLGCABLSKYGN-HNNXBMFYSA-N -1 3 353.401 3.226 20 0 FGADHM COc1cccc(C[C@@H]2CCCN2c2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000821863744 606400993 /nfs/dbraw/zinc/40/09/93/606400993.db2.gz OKLLGCABLSKYGN-HNNXBMFYSA-N -1 3 353.401 3.226 20 0 FGADHM Fc1cccc(C2CCN(c3ncc(-c4nnn[n-]4)cc3Cl)CC2)c1 ZINC000822786793 606426166 /nfs/dbraw/zinc/42/61/66/606426166.db2.gz PRKKQZNNIAVMBF-UHFFFAOYSA-N -1 3 358.808 3.438 20 0 FGADHM Fc1cccc(C2CCN(c3ncc(-c4nn[n-]n4)cc3Cl)CC2)c1 ZINC000822786793 606426168 /nfs/dbraw/zinc/42/61/68/606426168.db2.gz PRKKQZNNIAVMBF-UHFFFAOYSA-N -1 3 358.808 3.438 20 0 FGADHM COc1cc(NCc2ccc(-c3nnn[n-]3)s2)ccc1Br ZINC000821724347 606426566 /nfs/dbraw/zinc/42/65/66/606426566.db2.gz SYSMWNRNFIDVSH-UHFFFAOYSA-N -1 3 366.244 3.311 20 0 FGADHM Cc1cc([C@H](C)NC(=O)CCc2ccc(-c3nnn[n-]3)cc2)ccc1F ZINC000822191206 606450161 /nfs/dbraw/zinc/45/01/61/606450161.db2.gz GTQBHPKCQATBQR-ZDUSSCGKSA-N -1 3 353.401 3.124 20 0 FGADHM Cc1cc([C@H](C)NC(=O)CCc2ccc(-c3nn[n-]n3)cc2)ccc1F ZINC000822191206 606450163 /nfs/dbraw/zinc/45/01/63/606450163.db2.gz GTQBHPKCQATBQR-ZDUSSCGKSA-N -1 3 353.401 3.124 20 0 FGADHM O=C(O[C@@H](c1ccccc1)c1ccncc1)c1cc(-c2nnn[n-]2)cs1 ZINC000823392171 606463630 /nfs/dbraw/zinc/46/36/30/606463630.db2.gz MKBASLQAJWSAMB-INIZCTEOSA-N -1 3 363.402 3.270 20 0 FGADHM O=C(O[C@@H](c1ccccc1)c1ccncc1)c1cc(-c2nn[n-]n2)cs1 ZINC000823392171 606463631 /nfs/dbraw/zinc/46/36/31/606463631.db2.gz MKBASLQAJWSAMB-INIZCTEOSA-N -1 3 363.402 3.270 20 0 FGADHM C[C@H](CNc1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21)c1ccncc1 ZINC000820274914 606477096 /nfs/dbraw/zinc/47/70/96/606477096.db2.gz MADZQBMQTNLUJS-SNVBAGLBSA-N -1 3 367.363 3.304 20 0 FGADHM C[C@H](CNc1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21)c1ccncc1 ZINC000820274914 606477098 /nfs/dbraw/zinc/47/70/98/606477098.db2.gz MADZQBMQTNLUJS-SNVBAGLBSA-N -1 3 367.363 3.304 20 0 FGADHM C[C@H](NC(=O)c1cc(-c2nnn[n-]2)cs1)c1cccc(C(F)(F)F)c1 ZINC000820391150 606481285 /nfs/dbraw/zinc/48/12/85/606481285.db2.gz NVCBASNYRUHIHQ-QMMMGPOBSA-N -1 3 367.356 3.438 20 0 FGADHM C[C@H](NC(=O)c1cc(-c2nn[n-]n2)cs1)c1cccc(C(F)(F)F)c1 ZINC000820391150 606481286 /nfs/dbraw/zinc/48/12/86/606481286.db2.gz NVCBASNYRUHIHQ-QMMMGPOBSA-N -1 3 367.356 3.438 20 0 FGADHM O=C(NC[C@@H]1CCC[C@H](C(F)(F)F)C1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000823175909 606482823 /nfs/dbraw/zinc/48/28/23/606482823.db2.gz OHWZOBHKHFQJAT-PWSUYJOCSA-N -1 3 368.363 3.357 20 0 FGADHM O=C(NC[C@@H]1CCC[C@H](C(F)(F)F)C1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000823175909 606482824 /nfs/dbraw/zinc/48/28/24/606482824.db2.gz OHWZOBHKHFQJAT-PWSUYJOCSA-N -1 3 368.363 3.357 20 0 FGADHM O=C(c1cc(-c2nnn[n-]2)cs1)N(Cc1ccco1)c1ccccc1 ZINC000823465931 606486244 /nfs/dbraw/zinc/48/62/44/606486244.db2.gz CICKINCPYKPHIH-UHFFFAOYSA-N -1 3 351.391 3.368 20 0 FGADHM O=C(c1cc(-c2nn[n-]n2)cs1)N(Cc1ccco1)c1ccccc1 ZINC000823465931 606486245 /nfs/dbraw/zinc/48/62/45/606486245.db2.gz CICKINCPYKPHIH-UHFFFAOYSA-N -1 3 351.391 3.368 20 0 FGADHM O=C(NC[C@@H]1SCCc2ccccc21)Nc1cccc(-c2nnn[n-]2)c1 ZINC000823181542 606486500 /nfs/dbraw/zinc/48/65/00/606486500.db2.gz ASLLMMAMJXBGJP-INIZCTEOSA-N -1 3 366.450 3.019 20 0 FGADHM O=C(NC[C@@H]1SCCc2ccccc21)Nc1cccc(-c2nn[n-]n2)c1 ZINC000823181542 606486502 /nfs/dbraw/zinc/48/65/02/606486502.db2.gz ASLLMMAMJXBGJP-INIZCTEOSA-N -1 3 366.450 3.019 20 0 FGADHM CN(Cc1ccc(C(C)(C)C)cc1)C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821609755 606491485 /nfs/dbraw/zinc/49/14/85/606491485.db2.gz KNHBUNNBYPRPOI-UHFFFAOYSA-N -1 3 363.465 3.365 20 0 FGADHM CN(Cc1ccc(C(C)(C)C)cc1)C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821609755 606491487 /nfs/dbraw/zinc/49/14/87/606491487.db2.gz KNHBUNNBYPRPOI-UHFFFAOYSA-N -1 3 363.465 3.365 20 0 FGADHM CC[C@@H](Oc1cccc(C)c1)C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820939752 606503511 /nfs/dbraw/zinc/50/35/11/606503511.db2.gz XRRSNDOHSGZUDQ-KBXCAEBGSA-N -1 3 365.437 3.210 20 0 FGADHM CC[C@@H](Oc1cccc(C)c1)C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820939752 606503512 /nfs/dbraw/zinc/50/35/12/606503512.db2.gz XRRSNDOHSGZUDQ-KBXCAEBGSA-N -1 3 365.437 3.210 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)NC1CCC(c2ccccc2)CC1 ZINC000823092561 606503820 /nfs/dbraw/zinc/50/38/20/606503820.db2.gz GNTWLCDQWHDIDT-UHFFFAOYSA-N -1 3 361.449 3.252 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)NC1CCC(c2ccccc2)CC1 ZINC000823092561 606503822 /nfs/dbraw/zinc/50/38/22/606503822.db2.gz GNTWLCDQWHDIDT-UHFFFAOYSA-N -1 3 361.449 3.252 20 0 FGADHM Cc1cc(OC(C)C)ccc1NC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000822210751 606515471 /nfs/dbraw/zinc/51/54/71/606515471.db2.gz PNCHJEXASUFBHY-UHFFFAOYSA-N -1 3 351.410 3.144 20 0 FGADHM Cc1cc(OC(C)C)ccc1NC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000822210751 606515473 /nfs/dbraw/zinc/51/54/73/606515473.db2.gz PNCHJEXASUFBHY-UHFFFAOYSA-N -1 3 351.410 3.144 20 0 FGADHM CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820914600 606518971 /nfs/dbraw/zinc/51/89/71/606518971.db2.gz PVUKACMLRUJDDZ-HNNXBMFYSA-N -1 3 355.467 3.330 20 0 FGADHM CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820914600 606518974 /nfs/dbraw/zinc/51/89/74/606518974.db2.gz PVUKACMLRUJDDZ-HNNXBMFYSA-N -1 3 355.467 3.330 20 0 FGADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C/C=C/c1cccc(F)c1 ZINC000821612103 606523324 /nfs/dbraw/zinc/52/33/24/606523324.db2.gz IXCYSVBBMLCTAQ-GQCTYLIASA-N -1 3 351.385 3.068 20 0 FGADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C/C=C/c1cccc(F)c1 ZINC000821612103 606523326 /nfs/dbraw/zinc/52/33/26/606523326.db2.gz IXCYSVBBMLCTAQ-GQCTYLIASA-N -1 3 351.385 3.068 20 0 FGADHM O=C(NCc1ccc(-c2ccccc2)o1)c1cc(-c2nnn[n-]2)cs1 ZINC000823246494 606539273 /nfs/dbraw/zinc/53/92/73/606539273.db2.gz RKSBJFHDTBJFAE-UHFFFAOYSA-N -1 3 351.391 3.118 20 0 FGADHM O=C(NCc1ccc(-c2ccccc2)o1)c1cc(-c2nn[n-]n2)cs1 ZINC000823246494 606539275 /nfs/dbraw/zinc/53/92/75/606539275.db2.gz RKSBJFHDTBJFAE-UHFFFAOYSA-N -1 3 351.391 3.118 20 0 FGADHM CC[C@@H](Oc1ccccc1C)C(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000820939319 606539441 /nfs/dbraw/zinc/53/94/41/606539441.db2.gz SYTNPORVLLAJIY-MRXNPFEDSA-N -1 3 351.410 3.280 20 0 FGADHM CC[C@@H](Oc1ccccc1C)C(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000820939319 606539443 /nfs/dbraw/zinc/53/94/43/606539443.db2.gz SYTNPORVLLAJIY-MRXNPFEDSA-N -1 3 351.410 3.280 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1cc(C(F)(F)F)ccc1F ZINC000823103632 606549258 /nfs/dbraw/zinc/54/92/58/606549258.db2.gz JWWZOGJYIHNABN-UHFFFAOYSA-N -1 3 365.290 3.206 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1cc(C(F)(F)F)ccc1F ZINC000823103632 606549260 /nfs/dbraw/zinc/54/92/60/606549260.db2.gz JWWZOGJYIHNABN-UHFFFAOYSA-N -1 3 365.290 3.206 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000823087086 606560495 /nfs/dbraw/zinc/56/04/95/606560495.db2.gz FZSNLLIIKLAGHN-QGZVFWFLSA-N -1 3 369.375 3.051 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000823087086 606560497 /nfs/dbraw/zinc/56/04/97/606560497.db2.gz FZSNLLIIKLAGHN-QGZVFWFLSA-N -1 3 369.375 3.051 20 0 FGADHM Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000822350637 606568571 /nfs/dbraw/zinc/56/85/71/606568571.db2.gz FLQCMSAEXHHUCK-YJBOKZPZSA-N -1 3 361.449 3.122 20 0 FGADHM Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000822350637 606568572 /nfs/dbraw/zinc/56/85/72/606568572.db2.gz FLQCMSAEXHHUCK-YJBOKZPZSA-N -1 3 361.449 3.122 20 0 FGADHM CCC(C)(CC)NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000820852419 606575926 /nfs/dbraw/zinc/57/59/26/606575926.db2.gz AYSYVAQUVSNSIN-UHFFFAOYSA-N -1 3 354.361 3.168 20 0 FGADHM CCC(C)(CC)NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000820852419 606575928 /nfs/dbraw/zinc/57/59/28/606575928.db2.gz AYSYVAQUVSNSIN-UHFFFAOYSA-N -1 3 354.361 3.168 20 0 FGADHM Cc1cc([C@@H](C)NC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)ccc1F ZINC000822190985 606577157 /nfs/dbraw/zinc/57/71/57/606577157.db2.gz CZYMFDNLRYPWDD-SNVBAGLBSA-N -1 3 358.352 3.336 20 0 FGADHM Cc1cc([C@@H](C)NC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)ccc1F ZINC000822190985 606577159 /nfs/dbraw/zinc/57/71/59/606577159.db2.gz CZYMFDNLRYPWDD-SNVBAGLBSA-N -1 3 358.352 3.336 20 0 FGADHM O=C(c1cccc(-c2nnn[n-]2)c1)N1CCc2cc(-c3ccccc3)oc2C1 ZINC000823493664 606578905 /nfs/dbraw/zinc/57/89/05/606578905.db2.gz RMMUUKYUBFIPNN-UHFFFAOYSA-N -1 3 371.400 3.325 20 0 FGADHM O=C(c1cccc(-c2nn[n-]n2)c1)N1CCc2cc(-c3ccccc3)oc2C1 ZINC000823493664 606578907 /nfs/dbraw/zinc/57/89/07/606578907.db2.gz RMMUUKYUBFIPNN-UHFFFAOYSA-N -1 3 371.400 3.325 20 0 FGADHM C[C@@H]1CCN(C(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)[C@H]1C ZINC000820717487 606580743 /nfs/dbraw/zinc/58/07/43/606580743.db2.gz QTHVFQQLYZGCIH-KGLIPLIRSA-N -1 3 362.437 3.481 20 0 FGADHM CC(C)(C)C(=O)c1ccc(NC(=O)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000819898964 606583106 /nfs/dbraw/zinc/58/31/06/606583106.db2.gz LLWILONSBGGQOQ-UHFFFAOYSA-N -1 3 363.421 3.277 20 0 FGADHM CC(C)(C)C(=O)c1ccc(NC(=O)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000819898964 606583108 /nfs/dbraw/zinc/58/31/08/606583108.db2.gz LLWILONSBGGQOQ-UHFFFAOYSA-N -1 3 363.421 3.277 20 0 FGADHM CO[C@@H](C)c1nc(CNc2cc(Cl)ccc2-c2nnn[n-]2)cs1 ZINC000821674972 606593537 /nfs/dbraw/zinc/59/35/37/606593537.db2.gz AJBSQGSUHKHZOT-QMMMGPOBSA-N -1 3 350.835 3.296 20 0 FGADHM CO[C@@H](C)c1nc(CNc2cc(Cl)ccc2-c2nn[n-]n2)cs1 ZINC000821674972 606593539 /nfs/dbraw/zinc/59/35/39/606593539.db2.gz AJBSQGSUHKHZOT-QMMMGPOBSA-N -1 3 350.835 3.296 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CCCC[C@@H]1c1ncc[nH]1 ZINC000823303264 606598049 /nfs/dbraw/zinc/59/80/49/606598049.db2.gz FFEKFEPCIRRTNM-CYBMUJFWSA-N -1 3 372.820 3.002 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CCCC[C@@H]1c1ncc[nH]1 ZINC000823303264 606598050 /nfs/dbraw/zinc/59/80/50/606598050.db2.gz FFEKFEPCIRRTNM-CYBMUJFWSA-N -1 3 372.820 3.002 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)CCc1ccoc1 ZINC000821390568 606602358 /nfs/dbraw/zinc/60/23/58/606602358.db2.gz YUPJKPBHXXNURA-UHFFFAOYSA-N -1 3 362.773 3.050 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)CCc1ccoc1 ZINC000821390568 606602360 /nfs/dbraw/zinc/60/23/60/606602360.db2.gz YUPJKPBHXXNURA-UHFFFAOYSA-N -1 3 362.773 3.050 20 0 FGADHM Cc1ccc(CNC(=O)c2cc(-c3nnn[n-]3)cs2)c(OC(C)(C)C)c1 ZINC000822238923 606622672 /nfs/dbraw/zinc/62/26/72/606622672.db2.gz ZUZHNPXWGSKBOO-UHFFFAOYSA-N -1 3 371.466 3.344 20 0 FGADHM Cc1ccc(CNC(=O)c2cc(-c3nn[n-]n3)cs2)c(OC(C)(C)C)c1 ZINC000822238923 606622673 /nfs/dbraw/zinc/62/26/73/606622673.db2.gz ZUZHNPXWGSKBOO-UHFFFAOYSA-N -1 3 371.466 3.344 20 0 FGADHM COc1ccc([C@@H](C)CC(=O)Nc2cc(-c3nnn[n-]3)ccc2C)cc1 ZINC000821778151 606630296 /nfs/dbraw/zinc/63/02/96/606630296.db2.gz VOLKADHTFNTHIR-ZDUSSCGKSA-N -1 3 351.410 3.316 20 0 FGADHM COc1ccc([C@@H](C)CC(=O)Nc2cc(-c3nn[n-]n3)ccc2C)cc1 ZINC000821778151 606630298 /nfs/dbraw/zinc/63/02/98/606630298.db2.gz VOLKADHTFNTHIR-ZDUSSCGKSA-N -1 3 351.410 3.316 20 0 FGADHM CC[C@@H](C)Oc1ccc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000820875459 606631724 /nfs/dbraw/zinc/63/17/24/606631724.db2.gz AMOFZTTYCHRMHP-GFCCVEGCSA-N -1 3 369.400 3.113 20 0 FGADHM CC[C@@H](C)Oc1ccc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000820875459 606631726 /nfs/dbraw/zinc/63/17/26/606631726.db2.gz AMOFZTTYCHRMHP-GFCCVEGCSA-N -1 3 369.400 3.113 20 0 FGADHM C[C@@H](NC(=O)/C=C/SCc1ccco1)c1cccc(-c2nnn[n-]2)c1 ZINC000820321033 606636380 /nfs/dbraw/zinc/63/63/80/606636380.db2.gz BJZBCWBRVGUMTR-YPUOHESYSA-N -1 3 355.423 3.084 20 0 FGADHM C[C@@H](NC(=O)/C=C/SCc1ccco1)c1cccc(-c2nn[n-]n2)c1 ZINC000820321033 606636381 /nfs/dbraw/zinc/63/63/81/606636381.db2.gz BJZBCWBRVGUMTR-YPUOHESYSA-N -1 3 355.423 3.084 20 0 FGADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCC2)[C@H]1C[C@@H]1Cc1ccccc1 ZINC000823382650 606665072 /nfs/dbraw/zinc/66/50/72/606665072.db2.gz BWQFMUZVFBFOGK-JSGCOSHPSA-N -1 3 365.462 3.234 20 0 FGADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCC2)[C@H]1C[C@@H]1Cc1ccccc1 ZINC000823382650 606665073 /nfs/dbraw/zinc/66/50/73/606665073.db2.gz BWQFMUZVFBFOGK-JSGCOSHPSA-N -1 3 365.462 3.234 20 0 FGADHM CC[C@@H](NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1ccccc1OC ZINC000820919235 606671766 /nfs/dbraw/zinc/67/17/66/606671766.db2.gz ADRCNNCRPJOKFG-CQSZACIVSA-N -1 3 373.363 3.035 20 0 FGADHM CC[C@@H](NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccccc1OC ZINC000820919235 606671767 /nfs/dbraw/zinc/67/17/67/606671767.db2.gz ADRCNNCRPJOKFG-CQSZACIVSA-N -1 3 373.363 3.035 20 0 FGADHM O=C(c1c(F)cc(-c2nnn[n-]2)cc1F)N1CCc2cccc(Cl)c21 ZINC000823459939 606673021 /nfs/dbraw/zinc/67/30/21/606673021.db2.gz DQXGZRFXQMNHDM-UHFFFAOYSA-N -1 3 361.739 3.001 20 0 FGADHM O=C(c1c(F)cc(-c2nn[n-]n2)cc1F)N1CCc2cccc(Cl)c21 ZINC000823459939 606673022 /nfs/dbraw/zinc/67/30/22/606673022.db2.gz DQXGZRFXQMNHDM-UHFFFAOYSA-N -1 3 361.739 3.001 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)CCCc1ccc(F)c(F)c1 ZINC000821756046 606675412 /nfs/dbraw/zinc/67/54/12/606675412.db2.gz LVNJTMKKBBDJLG-UHFFFAOYSA-N -1 3 373.363 3.115 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)CCCc1ccc(F)c(F)c1 ZINC000821756046 606675413 /nfs/dbraw/zinc/67/54/13/606675413.db2.gz LVNJTMKKBBDJLG-UHFFFAOYSA-N -1 3 373.363 3.115 20 0 FGADHM Cc1ccc2c(c1)N(C(=O)c1c(F)cc(-c3nnn[n-]3)cc1F)CCC2 ZINC000822280615 606679358 /nfs/dbraw/zinc/67/93/58/606679358.db2.gz UDMVNHQRRNXDNE-UHFFFAOYSA-N -1 3 355.348 3.046 20 0 FGADHM Cc1ccc2c(c1)N(C(=O)c1c(F)cc(-c3nn[n-]n3)cc1F)CCC2 ZINC000822280615 606679359 /nfs/dbraw/zinc/67/93/59/606679359.db2.gz UDMVNHQRRNXDNE-UHFFFAOYSA-N -1 3 355.348 3.046 20 0 FGADHM O=C(c1c(F)cc(-c2nnn[n-]2)cc1F)N1CCCCC[C@H]1c1ccco1 ZINC000823453875 606681339 /nfs/dbraw/zinc/68/13/39/606681339.db2.gz CRSATOAJKSEJOZ-AWEZNQCLSA-N -1 3 373.363 3.495 20 0 FGADHM O=C(c1c(F)cc(-c2nn[n-]n2)cc1F)N1CCCCC[C@H]1c1ccco1 ZINC000823453875 606681340 /nfs/dbraw/zinc/68/13/40/606681340.db2.gz CRSATOAJKSEJOZ-AWEZNQCLSA-N -1 3 373.363 3.495 20 0 FGADHM CCC1(CC)CCN(C(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)C1 ZINC000820958139 606691235 /nfs/dbraw/zinc/69/12/35/606691235.db2.gz RQHMOANODKXZLW-UHFFFAOYSA-N -1 3 371.485 3.455 20 0 FGADHM CCC1(CC)CCN(C(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)C1 ZINC000820958139 606691236 /nfs/dbraw/zinc/69/12/36/606691236.db2.gz RQHMOANODKXZLW-UHFFFAOYSA-N -1 3 371.485 3.455 20 0 FGADHM Cc1ccc([C@H](C)NC(=S)Nc2ccccc2-c2nnn[n-]2)cc1F ZINC000822229347 606695134 /nfs/dbraw/zinc/69/51/34/606695134.db2.gz RZYQTBGBWQAJGC-NSHDSACASA-N -1 3 356.430 3.362 20 0 FGADHM Cc1ccc([C@H](C)NC(=S)Nc2ccccc2-c2nn[n-]n2)cc1F ZINC000822229347 606695135 /nfs/dbraw/zinc/69/51/35/606695135.db2.gz RZYQTBGBWQAJGC-NSHDSACASA-N -1 3 356.430 3.362 20 0 FGADHM C[C@]1(c2ccccc2)CCN(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000820635210 606697155 /nfs/dbraw/zinc/69/71/55/606697155.db2.gz KJNBYTNFFJRJJE-IBGZPJMESA-N -1 3 366.400 3.201 20 0 FGADHM C[C@]1(c2ccccc2)CCN(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000820635210 606697156 /nfs/dbraw/zinc/69/71/56/606697156.db2.gz KJNBYTNFFJRJJE-IBGZPJMESA-N -1 3 366.400 3.201 20 0 FGADHM Clc1ccc(NCc2nccn2Cc2ccccc2)cc1-c1nnn[n-]1 ZINC000822578676 606708068 /nfs/dbraw/zinc/70/80/68/606708068.db2.gz NTPLDEANSRBMGK-UHFFFAOYSA-N -1 3 365.828 3.377 20 0 FGADHM Clc1ccc(NCc2nccn2Cc2ccccc2)cc1-c1nn[n-]n1 ZINC000822578676 606708070 /nfs/dbraw/zinc/70/80/70/606708070.db2.gz NTPLDEANSRBMGK-UHFFFAOYSA-N -1 3 365.828 3.377 20 0 FGADHM CCOCCC1(CNc2ncc(-c3nnn[n-]3)cc2Cl)CCCC1 ZINC000821374341 606721278 /nfs/dbraw/zinc/72/12/78/606721278.db2.gz VNUKTKMIRALFGB-UHFFFAOYSA-N -1 3 350.854 3.314 20 0 FGADHM CCOCCC1(CNc2ncc(-c3nn[n-]n3)cc2Cl)CCCC1 ZINC000821374341 606721279 /nfs/dbraw/zinc/72/12/79/606721279.db2.gz VNUKTKMIRALFGB-UHFFFAOYSA-N -1 3 350.854 3.314 20 0 FGADHM Cc1ccc(CNc2ccc(-c3nnn[n-]3)cn2)c(OCC(F)(F)F)c1 ZINC000822238796 606726884 /nfs/dbraw/zinc/72/68/84/606726884.db2.gz VHRNOVXLNSLSRV-UHFFFAOYSA-N -1 3 364.331 3.123 20 0 FGADHM Cc1ccc(CNc2ccc(-c3nn[n-]n3)cn2)c(OCC(F)(F)F)c1 ZINC000822238796 606726885 /nfs/dbraw/zinc/72/68/85/606726885.db2.gz VHRNOVXLNSLSRV-UHFFFAOYSA-N -1 3 364.331 3.123 20 0 FGADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)NC1(Cc2ccccc2)CCC1 ZINC000822978197 606757861 /nfs/dbraw/zinc/75/78/61/606757861.db2.gz FPZDVJDYCSPBDX-UHFFFAOYSA-N -1 3 361.449 3.081 20 0 FGADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)NC1(Cc2ccccc2)CCC1 ZINC000822978197 606757862 /nfs/dbraw/zinc/75/78/62/606757862.db2.gz FPZDVJDYCSPBDX-UHFFFAOYSA-N -1 3 361.449 3.081 20 0 FGADHM CC[C@H]1CC[C@@H](C(=O)Oc2ccc(-c3ccc(-c4nnn[n-]4)cc3)cc2)O1 ZINC000820971573 606775350 /nfs/dbraw/zinc/77/53/50/606775350.db2.gz DFYRKWOUDJBYLM-WMZOPIPTSA-N -1 3 364.405 3.397 20 0 FGADHM CC[C@H]1CC[C@@H](C(=O)Oc2ccc(-c3ccc(-c4nn[n-]n4)cc3)cc2)O1 ZINC000820971573 606775352 /nfs/dbraw/zinc/77/53/52/606775352.db2.gz DFYRKWOUDJBYLM-WMZOPIPTSA-N -1 3 364.405 3.397 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)NCC2CCC2)cc1 ZINC000822145783 606785808 /nfs/dbraw/zinc/78/58/08/606785808.db2.gz UHZZDZKLIHYZQU-UHFFFAOYSA-N -1 3 363.421 3.497 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)NCC2CCC2)cc1 ZINC000822145783 606785809 /nfs/dbraw/zinc/78/58/09/606785809.db2.gz UHZZDZKLIHYZQU-UHFFFAOYSA-N -1 3 363.421 3.497 20 0 FGADHM CC(C)(C)c1cnc(SCCC(=O)Nc2cccc(-c3nnn[n-]3)c2)o1 ZINC000819965807 606786211 /nfs/dbraw/zinc/78/62/11/606786211.db2.gz NXBGARDVLDOGJB-UHFFFAOYSA-N -1 3 372.454 3.273 20 0 FGADHM CC(C)(C)c1cnc(SCCC(=O)Nc2cccc(-c3nn[n-]n3)c2)o1 ZINC000819965807 606786213 /nfs/dbraw/zinc/78/62/13/606786213.db2.gz NXBGARDVLDOGJB-UHFFFAOYSA-N -1 3 372.454 3.273 20 0 FGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)CC1CCSCC1 ZINC000820151615 606798989 /nfs/dbraw/zinc/79/89/89/606798989.db2.gz JTZJXEGWWKQBCA-UHFFFAOYSA-N -1 3 361.471 3.126 20 0 FGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)CC1CCSCC1 ZINC000820151615 606798991 /nfs/dbraw/zinc/79/89/91/606798991.db2.gz JTZJXEGWWKQBCA-UHFFFAOYSA-N -1 3 361.471 3.126 20 0 FGADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)Nc1ccccc1OCC(F)F ZINC000822977863 606808335 /nfs/dbraw/zinc/80/83/35/606808335.db2.gz AHYVVEWIINGSLK-UHFFFAOYSA-N -1 3 373.363 3.082 20 0 FGADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)Nc1ccccc1OCC(F)F ZINC000822977863 606808336 /nfs/dbraw/zinc/80/83/36/606808336.db2.gz AHYVVEWIINGSLK-UHFFFAOYSA-N -1 3 373.363 3.082 20 0 FGADHM CC[C@@H]1CC[C@@H](C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCC3)O1 ZINC000820972636 606842094 /nfs/dbraw/zinc/84/20/94/606842094.db2.gz PWOWBFMNIMVYKW-PWSUYJOCSA-N -1 3 361.471 3.093 20 0 FGADHM CC[C@@H]1CC[C@@H](C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCC3)O1 ZINC000820972636 606842095 /nfs/dbraw/zinc/84/20/95/606842095.db2.gz PWOWBFMNIMVYKW-PWSUYJOCSA-N -1 3 361.471 3.093 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N(C)c1ccc(C(C)C)cc1 ZINC000822222423 606870468 /nfs/dbraw/zinc/87/04/68/606870468.db2.gz GIXYZPWMXCBTNH-UHFFFAOYSA-N -1 3 371.466 3.124 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N(C)c1ccc(C(C)C)cc1 ZINC000822222423 606870471 /nfs/dbraw/zinc/87/04/71/606870471.db2.gz GIXYZPWMXCBTNH-UHFFFAOYSA-N -1 3 371.466 3.124 20 0 FGADHM COC(=O)c1ccc(CSc2ccc(-c3nnn[n-]3)cc2F)s1 ZINC000821669534 606873378 /nfs/dbraw/zinc/87/33/78/606873378.db2.gz QBSBMXPBDPZMEC-UHFFFAOYSA-N -1 3 350.400 3.146 20 0 FGADHM COC(=O)c1ccc(CSc2ccc(-c3nn[n-]n3)cc2F)s1 ZINC000821669534 606873380 /nfs/dbraw/zinc/87/33/80/606873380.db2.gz QBSBMXPBDPZMEC-UHFFFAOYSA-N -1 3 350.400 3.146 20 0 FGADHM CN(C[C@H](O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(C(C)(C)C)cc1 ZINC000821595489 606887880 /nfs/dbraw/zinc/88/78/80/606887880.db2.gz YTZDDYQJLDLIOE-SFHVURJKSA-N -1 3 351.454 3.334 20 0 FGADHM CN(C[C@H](O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(C(C)(C)C)cc1 ZINC000821595489 606887882 /nfs/dbraw/zinc/88/78/82/606887882.db2.gz YTZDDYQJLDLIOE-SFHVURJKSA-N -1 3 351.454 3.334 20 0 FGADHM C[C@H](OC(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1)c1cccnc1 ZINC000820513255 606891459 /nfs/dbraw/zinc/89/14/59/606891459.db2.gz YIHVJIRBVBCUNX-VIFPVBQESA-N -1 3 363.299 3.199 20 0 FGADHM C[C@H](OC(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1)c1cccnc1 ZINC000820513255 606891461 /nfs/dbraw/zinc/89/14/61/606891461.db2.gz YIHVJIRBVBCUNX-VIFPVBQESA-N -1 3 363.299 3.199 20 0 FGADHM COc1ccc(OCCSCc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000821845804 606926198 /nfs/dbraw/zinc/92/61/98/606926198.db2.gz JJRQWDMWDMDRMG-UHFFFAOYSA-N -1 3 360.414 3.327 20 0 FGADHM COc1ccc(OCCSCc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000821845804 606926199 /nfs/dbraw/zinc/92/61/99/606926199.db2.gz JJRQWDMWDMDRMG-UHFFFAOYSA-N -1 3 360.414 3.327 20 0 FGADHM CC(=O)Nc1ccc(Cl)c(NCc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000819817501 606928654 /nfs/dbraw/zinc/92/86/54/606928654.db2.gz JIPPGGLUDBRZFK-UHFFFAOYSA-N -1 3 360.780 3.230 20 0 FGADHM CC(=O)Nc1ccc(Cl)c(NCc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000819817501 606928656 /nfs/dbraw/zinc/92/86/56/606928656.db2.gz JIPPGGLUDBRZFK-UHFFFAOYSA-N -1 3 360.780 3.230 20 0 FGADHM Cc1cnn(-c2ccc(NCc3ccc(F)c(-c4nnn[n-]4)c3)cc2F)c1 ZINC000822402500 606929998 /nfs/dbraw/zinc/92/99/98/606929998.db2.gz BQULDVCWOMXIJZ-UHFFFAOYSA-N -1 3 367.363 3.251 20 0 FGADHM Cc1cnn(-c2ccc(NCc3ccc(F)c(-c4nn[n-]n4)c3)cc2F)c1 ZINC000822402500 606930000 /nfs/dbraw/zinc/93/00/00/606930000.db2.gz BQULDVCWOMXIJZ-UHFFFAOYSA-N -1 3 367.363 3.251 20 0 FGADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1cc(F)cc(Cl)c1 ZINC000820542296 606936235 /nfs/dbraw/zinc/93/62/35/606936235.db2.gz NAPLDYOIJZYGSV-SECBINFHSA-N -1 3 361.764 3.065 20 0 FGADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1cc(F)cc(Cl)c1 ZINC000820542296 606936236 /nfs/dbraw/zinc/93/62/36/606936236.db2.gz NAPLDYOIJZYGSV-SECBINFHSA-N -1 3 361.764 3.065 20 0 FGADHM CC[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccc(Cl)cc1 ZINC000820938523 606941596 /nfs/dbraw/zinc/94/15/96/606941596.db2.gz KSGDCQQVSXSDQD-OAHLLOKOSA-N -1 3 370.796 3.338 20 0 FGADHM CC[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccc(Cl)cc1 ZINC000820938523 606941598 /nfs/dbraw/zinc/94/15/98/606941598.db2.gz KSGDCQQVSXSDQD-OAHLLOKOSA-N -1 3 370.796 3.338 20 0 FGADHM C[C@H](C(=O)OCCCOc1cccc(-c2nnn[n-]2)c1)c1cccs1 ZINC000819882888 606949637 /nfs/dbraw/zinc/94/96/37/606949637.db2.gz CJFUJPIJWFTKQT-LBPRGKRZSA-N -1 3 358.423 3.044 20 0 FGADHM C[C@H](C(=O)OCCCOc1cccc(-c2nn[n-]n2)c1)c1cccs1 ZINC000819882888 606949639 /nfs/dbraw/zinc/94/96/39/606949639.db2.gz CJFUJPIJWFTKQT-LBPRGKRZSA-N -1 3 358.423 3.044 20 0 FGADHM C[C@H]1CC[C@@H](C(=O)OCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)O1 ZINC000820674137 606951949 /nfs/dbraw/zinc/95/19/49/606951949.db2.gz BKNJTOZHMKPILQ-UGSOOPFHSA-N -1 3 364.405 3.144 20 0 FGADHM C[C@H]1CC[C@@H](C(=O)OCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)O1 ZINC000820674137 606951950 /nfs/dbraw/zinc/95/19/50/606951950.db2.gz BKNJTOZHMKPILQ-UGSOOPFHSA-N -1 3 364.405 3.144 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)c1cccc(Cl)c1F ZINC000823426642 606954690 /nfs/dbraw/zinc/95/46/90/606954690.db2.gz MRSZZXMLHRJWID-UHFFFAOYSA-N -1 3 350.712 3.155 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)c1cccc(Cl)c1F ZINC000823426642 606954691 /nfs/dbraw/zinc/95/46/91/606954691.db2.gz MRSZZXMLHRJWID-UHFFFAOYSA-N -1 3 350.712 3.155 20 0 FGADHM COc1cc(F)c(NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1F ZINC000821720220 606956326 /nfs/dbraw/zinc/95/63/26/606956326.db2.gz PJKMSSKWAONTAH-VIFPVBQESA-N -1 3 374.351 3.036 20 0 FGADHM COc1cc(F)c(NC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1F ZINC000821720220 606956327 /nfs/dbraw/zinc/95/63/27/606956327.db2.gz PJKMSSKWAONTAH-VIFPVBQESA-N -1 3 374.351 3.036 20 0 FGADHM C[C@@H]1CC[C@H](C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCCC3)O1 ZINC000820677318 606957146 /nfs/dbraw/zinc/95/71/46/606957146.db2.gz QPEVDVAVBWVOKM-ZYHUDNBSSA-N -1 3 361.471 3.093 20 0 FGADHM C[C@@H]1CC[C@H](C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCCC3)O1 ZINC000820677318 606957148 /nfs/dbraw/zinc/95/71/48/606957148.db2.gz QPEVDVAVBWVOKM-ZYHUDNBSSA-N -1 3 361.471 3.093 20 0 FGADHM CN(C(=O)c1cccc2ncccc21)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821574743 606963299 /nfs/dbraw/zinc/96/32/99/606963299.db2.gz VKALZTABMSXFLO-UHFFFAOYSA-N -1 3 364.796 3.345 20 0 FGADHM CN(C(=O)c1cccc2ncccc21)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821574743 606963300 /nfs/dbraw/zinc/96/33/00/606963300.db2.gz VKALZTABMSXFLO-UHFFFAOYSA-N -1 3 364.796 3.345 20 0 FGADHM Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC000822201945 606973783 /nfs/dbraw/zinc/97/37/83/606973783.db2.gz CRSYHNTXJCSMFO-LBPRGKRZSA-N -1 3 371.828 3.259 20 0 FGADHM Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC000822201945 606973785 /nfs/dbraw/zinc/97/37/85/606973785.db2.gz CRSYHNTXJCSMFO-LBPRGKRZSA-N -1 3 371.828 3.259 20 0 FGADHM CCC1(CC)[C@@H](OC)C[C@@H]1N(C)C(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000820957050 606978184 /nfs/dbraw/zinc/97/81/84/606978184.db2.gz MPYYZZAMEAJNGT-GJZGRUSLSA-N -1 3 374.514 3.089 20 0 FGADHM CCC1(CC)[C@@H](OC)C[C@@H]1N(C)C(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000820957050 606978186 /nfs/dbraw/zinc/97/81/86/606978186.db2.gz MPYYZZAMEAJNGT-GJZGRUSLSA-N -1 3 374.514 3.089 20 0 FGADHM CCC[C@H](NC(=O)c1sccc1-c1nnn[n-]1)c1ccc(F)cc1F ZINC000821020713 606982072 /nfs/dbraw/zinc/98/20/72/606982072.db2.gz GZRICWQKSCLHPX-ZDUSSCGKSA-N -1 3 363.393 3.478 20 0 FGADHM CCC[C@H](NC(=O)c1sccc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC000821020713 606982073 /nfs/dbraw/zinc/98/20/73/606982073.db2.gz GZRICWQKSCLHPX-ZDUSSCGKSA-N -1 3 363.393 3.478 20 0 FGADHM CSc1cccc(NC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821984095 606984736 /nfs/dbraw/zinc/98/47/36/606984736.db2.gz MGPDVNDPOXJKLF-UHFFFAOYSA-N -1 3 369.450 3.385 20 0 FGADHM CSc1cccc(NC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821984095 606984737 /nfs/dbraw/zinc/98/47/37/606984737.db2.gz MGPDVNDPOXJKLF-UHFFFAOYSA-N -1 3 369.450 3.385 20 0 FGADHM Cc1nc2ccccc2cc1C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822463022 606991997 /nfs/dbraw/zinc/99/19/97/606991997.db2.gz MPNBWZGSGIPGQG-UHFFFAOYSA-N -1 3 363.352 3.219 20 0 FGADHM Cc1nc2ccccc2cc1C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822463022 606991998 /nfs/dbraw/zinc/99/19/98/606991998.db2.gz MPNBWZGSGIPGQG-UHFFFAOYSA-N -1 3 363.352 3.219 20 0 FGADHM Cc1[nH]c2ccccc2c1CC(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822009700 606993109 /nfs/dbraw/zinc/99/31/09/606993109.db2.gz BVOMBOBEOGYWTR-UHFFFAOYSA-N -1 3 365.368 3.081 20 0 FGADHM Cc1[nH]c2ccccc2c1CC(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822009700 606993110 /nfs/dbraw/zinc/99/31/10/606993110.db2.gz BVOMBOBEOGYWTR-UHFFFAOYSA-N -1 3 365.368 3.081 20 0 FGADHM Cc1cccc(OCCC(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)c1C ZINC000822328369 606993966 /nfs/dbraw/zinc/99/39/66/606993966.db2.gz OKNDZCPFBLFPPX-UHFFFAOYSA-N -1 3 370.384 3.135 20 0 FGADHM Cc1cccc(OCCC(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)c1C ZINC000822328369 606993968 /nfs/dbraw/zinc/99/39/68/606993968.db2.gz OKNDZCPFBLFPPX-UHFFFAOYSA-N -1 3 370.384 3.135 20 0 FGADHM O=C(CCCOc1cccc(F)c1)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822958954 606997370 /nfs/dbraw/zinc/99/73/70/606997370.db2.gz PFMJKIQEJQPTMY-UHFFFAOYSA-N -1 3 374.347 3.047 20 0 FGADHM O=C(CCCOc1cccc(F)c1)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822958954 606997371 /nfs/dbraw/zinc/99/73/71/606997371.db2.gz PFMJKIQEJQPTMY-UHFFFAOYSA-N -1 3 374.347 3.047 20 0 FGADHM O=C(C/C=C/c1ccc(F)cc1)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822945397 607002441 /nfs/dbraw/zinc/00/24/41/607002441.db2.gz CZTQSKBGDZZDSF-OWOJBTEDSA-N -1 3 356.332 3.292 20 0 FGADHM O=C(C/C=C/c1ccc(F)cc1)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822945397 607002443 /nfs/dbraw/zinc/00/24/43/607002443.db2.gz CZTQSKBGDZZDSF-OWOJBTEDSA-N -1 3 356.332 3.292 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)[C@@H]1SCCc2ccccc21 ZINC000823421894 607002504 /nfs/dbraw/zinc/00/25/04/607002504.db2.gz JQEJLXBBJLHDKA-MRXNPFEDSA-N -1 3 370.409 3.080 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)[C@@H]1SCCc2ccccc21 ZINC000823421894 607002506 /nfs/dbraw/zinc/00/25/06/607002506.db2.gz JQEJLXBBJLHDKA-MRXNPFEDSA-N -1 3 370.409 3.080 20 0 FGADHM CCCC[C@@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1cc(C)on1 ZINC000821043047 607011668 /nfs/dbraw/zinc/01/16/68/607011668.db2.gz LEJJDFMVAQVNKC-CQSZACIVSA-N -1 3 372.454 3.453 20 0 FGADHM CCCC[C@@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1cc(C)on1 ZINC000821043047 607011670 /nfs/dbraw/zinc/01/16/70/607011670.db2.gz LEJJDFMVAQVNKC-CQSZACIVSA-N -1 3 372.454 3.453 20 0 FGADHM Cc1sc(NC(=O)COc2cc(-c3nnn[n-]3)ccc2C)c(C)c1C ZINC000822221557 607028410 /nfs/dbraw/zinc/02/84/10/607028410.db2.gz URUAHGBEZJVAJC-UHFFFAOYSA-N -1 3 357.439 3.179 20 0 FGADHM Cc1sc(NC(=O)COc2cc(-c3nn[n-]n3)ccc2C)c(C)c1C ZINC000822221557 607028411 /nfs/dbraw/zinc/02/84/11/607028411.db2.gz URUAHGBEZJVAJC-UHFFFAOYSA-N -1 3 357.439 3.179 20 0 FGADHM CC(C)CO[C@@H]1CCN(c2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)C1 ZINC000820096868 607044250 /nfs/dbraw/zinc/04/42/50/607044250.db2.gz HVAIDWOGHVAJOU-CYBMUJFWSA-N -1 3 372.860 3.320 20 0 FGADHM CC(C)CO[C@@H]1CCN(c2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)C1 ZINC000820096868 607044251 /nfs/dbraw/zinc/04/42/51/607044251.db2.gz HVAIDWOGHVAJOU-CYBMUJFWSA-N -1 3 372.860 3.320 20 0 FGADHM C[C@@H](NC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1)C1CCCCC1 ZINC000820314853 607044451 /nfs/dbraw/zinc/04/44/51/607044451.db2.gz LBCJYJDXWYTVMP-CYBMUJFWSA-N -1 3 357.458 3.109 20 0 FGADHM C[C@@H](NC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1)C1CCCCC1 ZINC000820314853 607044452 /nfs/dbraw/zinc/04/44/52/607044452.db2.gz LBCJYJDXWYTVMP-CYBMUJFWSA-N -1 3 357.458 3.109 20 0 FGADHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2N1CC[C@@H](OCC(C)C)C1 ZINC000822204133 607044678 /nfs/dbraw/zinc/04/46/78/607044678.db2.gz FTNOXVHBNQTYRO-CQSZACIVSA-N -1 3 370.432 3.114 20 0 FGADHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2N1CC[C@@H](OCC(C)C)C1 ZINC000822204133 607044680 /nfs/dbraw/zinc/04/46/80/607044680.db2.gz FTNOXVHBNQTYRO-CQSZACIVSA-N -1 3 370.432 3.114 20 0 FGADHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(N3CC[C@H](OCC(C)C)C3)c2c1 ZINC000822195189 607044686 /nfs/dbraw/zinc/04/46/86/607044686.db2.gz JQWNRHXICUILLG-HNNXBMFYSA-N -1 3 366.469 3.283 20 0 FGADHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(N3CC[C@H](OCC(C)C)C3)c2c1 ZINC000822195189 607044688 /nfs/dbraw/zinc/04/46/88/607044688.db2.gz JQWNRHXICUILLG-HNNXBMFYSA-N -1 3 366.469 3.283 20 0 FGADHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC000819997344 607045705 /nfs/dbraw/zinc/04/57/05/607045705.db2.gz UDVXBENCFCJFJJ-VNQPRFMTSA-N -1 3 369.469 3.109 20 0 FGADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC000819997344 607045706 /nfs/dbraw/zinc/04/57/06/607045706.db2.gz UDVXBENCFCJFJJ-VNQPRFMTSA-N -1 3 369.469 3.109 20 0 FGADHM C[C@H](NC(=O)N(C1CC1)C1CCCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820342430 607064657 /nfs/dbraw/zinc/06/46/57/607064657.db2.gz UJGKNVXDJLJEBV-ZDUSSCGKSA-N -1 3 354.458 3.434 20 0 FGADHM C[C@H](NC(=O)N(C1CC1)C1CCCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820342430 607064659 /nfs/dbraw/zinc/06/46/59/607064659.db2.gz UJGKNVXDJLJEBV-ZDUSSCGKSA-N -1 3 354.458 3.434 20 0 FGADHM COc1ccc(Cl)cc1C(=O)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000821824177 607072008 /nfs/dbraw/zinc/07/20/08/607072008.db2.gz JPCQPOVBMBGWEA-UHFFFAOYSA-N -1 3 362.748 3.025 20 0 FGADHM COc1ccc(Cl)cc1C(=O)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000821824177 607072010 /nfs/dbraw/zinc/07/20/10/607072010.db2.gz JPCQPOVBMBGWEA-UHFFFAOYSA-N -1 3 362.748 3.025 20 0 FGADHM Cc1ccc(OCCCC(=O)OCc2cc(F)ccc2-c2nnn[n-]2)cc1 ZINC000822263798 607072269 /nfs/dbraw/zinc/07/22/69/607072269.db2.gz ZOWSGVXSTLOGBI-UHFFFAOYSA-N -1 3 370.384 3.217 20 0 FGADHM Cc1ccc(OCCCC(=O)OCc2cc(F)ccc2-c2nn[n-]n2)cc1 ZINC000822263798 607072270 /nfs/dbraw/zinc/07/22/70/607072270.db2.gz ZOWSGVXSTLOGBI-UHFFFAOYSA-N -1 3 370.384 3.217 20 0 FGADHM Cc1cc(Cl)ncc1NC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822201899 607079951 /nfs/dbraw/zinc/07/99/51/607079951.db2.gz AQLVQOJYZOWEHK-SNVBAGLBSA-N -1 3 357.805 3.106 20 0 FGADHM Cc1cc(Cl)ncc1NC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822201899 607079952 /nfs/dbraw/zinc/07/99/52/607079952.db2.gz AQLVQOJYZOWEHK-SNVBAGLBSA-N -1 3 357.805 3.106 20 0 FGADHM C[C@H](CC(=O)OCc1cc(F)ccc1-c1nnn[n-]1)c1cccc(F)c1 ZINC000820225780 607083724 /nfs/dbraw/zinc/08/37/24/607083724.db2.gz PGAVUIZEVFTDND-LLVKDONJSA-N -1 3 358.348 3.382 20 0 FGADHM C[C@H](CC(=O)OCc1cc(F)ccc1-c1nn[n-]n1)c1cccc(F)c1 ZINC000820225780 607083726 /nfs/dbraw/zinc/08/37/26/607083726.db2.gz PGAVUIZEVFTDND-LLVKDONJSA-N -1 3 358.348 3.382 20 0 FGADHM CC1(C)C[C@@H](NC(=O)c2sccc2-c2nnn[n-]2)c2ccc(F)cc2O1 ZINC000820589529 607099001 /nfs/dbraw/zinc/09/90/01/607099001.db2.gz HLBMXCNMPUIOIU-GFCCVEGCSA-N -1 3 373.413 3.100 20 0 FGADHM CC1(C)C[C@@H](NC(=O)c2sccc2-c2nn[n-]n2)c2ccc(F)cc2O1 ZINC000820589529 607099003 /nfs/dbraw/zinc/09/90/03/607099003.db2.gz HLBMXCNMPUIOIU-GFCCVEGCSA-N -1 3 373.413 3.100 20 0 FGADHM C[C@H](c1ccccc1)n1ccc(NC(=O)Nc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000820569939 607115238 /nfs/dbraw/zinc/11/52/38/607115238.db2.gz BGQWFXRUIKLSTP-CYBMUJFWSA-N -1 3 374.408 3.317 20 0 FGADHM C[C@H](c1ccccc1)n1ccc(NC(=O)Nc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000820569939 607115239 /nfs/dbraw/zinc/11/52/39/607115239.db2.gz BGQWFXRUIKLSTP-CYBMUJFWSA-N -1 3 374.408 3.317 20 0 FGADHM Clc1cc(-c2nn[n-]n2)ccc1NCc1nc(Cc2ccccc2)no1 ZINC000822562665 607126117 /nfs/dbraw/zinc/12/61/17/607126117.db2.gz CWLWFNGCKXTZAO-UHFFFAOYSA-N -1 3 367.800 3.106 20 0 FGADHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2N[C@@H]1CCCC(F)(F)C1 ZINC000822204581 607130931 /nfs/dbraw/zinc/13/09/31/607130931.db2.gz TYPAQSLBVYJOEN-LLVKDONJSA-N -1 3 362.359 3.274 20 0 FGADHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2N[C@@H]1CCCC(F)(F)C1 ZINC000822204581 607130933 /nfs/dbraw/zinc/13/09/33/607130933.db2.gz TYPAQSLBVYJOEN-LLVKDONJSA-N -1 3 362.359 3.274 20 0 FGADHM CC(C)CCC1CCN(C(=O)CCc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000820072485 607131493 /nfs/dbraw/zinc/13/14/93/607131493.db2.gz HNDXKAOIVFHIDG-UHFFFAOYSA-N -1 3 355.486 3.474 20 0 FGADHM CC(C)CCC1CCN(C(=O)CCc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000820072485 607131496 /nfs/dbraw/zinc/13/14/96/607131496.db2.gz HNDXKAOIVFHIDG-UHFFFAOYSA-N -1 3 355.486 3.474 20 0 FGADHM CCc1ccc(-c2noc(COc3ccc(-c4nnn[n-]4)cc3F)n2)cc1 ZINC000821476927 607134720 /nfs/dbraw/zinc/13/47/20/607134720.db2.gz VCVLKRMQURDBKF-UHFFFAOYSA-N -1 3 366.356 3.197 20 0 FGADHM CCc1ccc(-c2noc(COc3ccc(-c4nn[n-]n4)cc3F)n2)cc1 ZINC000821476927 607134722 /nfs/dbraw/zinc/13/47/22/607134722.db2.gz VCVLKRMQURDBKF-UHFFFAOYSA-N -1 3 366.356 3.197 20 0 FGADHM CC1(C)CCC[C@@H](Nc2ccc(N3CCC(O)CC3)c(-c3nnn[n-]3)c2)C1 ZINC000820590057 607149990 /nfs/dbraw/zinc/14/99/90/607149990.db2.gz QAAKKTSORPFSJH-OAHLLOKOSA-N -1 3 370.501 3.209 20 0 FGADHM CC1(C)CCC[C@@H](Nc2ccc(N3CCC(O)CC3)c(-c3nn[n-]n3)c2)C1 ZINC000820590057 607149991 /nfs/dbraw/zinc/14/99/91/607149991.db2.gz QAAKKTSORPFSJH-OAHLLOKOSA-N -1 3 370.501 3.209 20 0 FGADHM CC(C)CC[C@H]1CCCN1C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000820073119 607152838 /nfs/dbraw/zinc/15/28/38/607152838.db2.gz QJQZCUGGPCEGCA-OAHLLOKOSA-N -1 3 360.437 3.116 20 0 FGADHM CC(C)CC[C@H]1CCCN1C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000820073119 607152839 /nfs/dbraw/zinc/15/28/39/607152839.db2.gz QJQZCUGGPCEGCA-OAHLLOKOSA-N -1 3 360.437 3.116 20 0 FGADHM Cn1c(COc2ccc(-c3nnn[n-]3)cc2F)nc2cc(Cl)ccc21 ZINC000822596808 607170725 /nfs/dbraw/zinc/17/07/25/607170725.db2.gz UMHIFWMHTYOWDQ-UHFFFAOYSA-N -1 3 358.764 3.125 20 0 FGADHM Cn1c(COc2ccc(-c3nn[n-]n3)cc2F)nc2cc(Cl)ccc21 ZINC000822596808 607170726 /nfs/dbraw/zinc/17/07/26/607170726.db2.gz UMHIFWMHTYOWDQ-UHFFFAOYSA-N -1 3 358.764 3.125 20 0 FGADHM O=C(COc1ccc(-c2nnn[n-]2)cc1F)c1cccc(C(F)(F)F)c1 ZINC000823040540 607171126 /nfs/dbraw/zinc/17/11/26/607171126.db2.gz MWXSAFJSHDSBLX-UHFFFAOYSA-N -1 3 366.274 3.286 20 0 FGADHM O=C(COc1ccc(-c2nn[n-]n2)cc1F)c1cccc(C(F)(F)F)c1 ZINC000823040540 607171127 /nfs/dbraw/zinc/17/11/27/607171127.db2.gz MWXSAFJSHDSBLX-UHFFFAOYSA-N -1 3 366.274 3.286 20 0 FGADHM O=C(Cn1ccc2ccccc21)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823123281 607189539 /nfs/dbraw/zinc/18/95/39/607189539.db2.gz VXIXEMBOLUALCG-UHFFFAOYSA-N -1 3 352.785 3.114 20 0 FGADHM O=C(Cn1ccc2ccccc21)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823123281 607189540 /nfs/dbraw/zinc/18/95/40/607189540.db2.gz VXIXEMBOLUALCG-UHFFFAOYSA-N -1 3 352.785 3.114 20 0 FGADHM C[C@@H](Oc1cccc(F)c1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820536479 607189852 /nfs/dbraw/zinc/18/98/52/607189852.db2.gz USWHAEXSYARMIK-SECBINFHSA-N -1 3 361.764 3.065 20 0 FGADHM C[C@@H](Oc1cccc(F)c1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820536479 607189853 /nfs/dbraw/zinc/18/98/53/607189853.db2.gz USWHAEXSYARMIK-SECBINFHSA-N -1 3 361.764 3.065 20 0 FGADHM Cc1ccc(O[C@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000822258851 607191074 /nfs/dbraw/zinc/19/10/74/607191074.db2.gz FKSKDXPXQRURGA-LLVKDONJSA-N -1 3 357.801 3.235 20 0 FGADHM Cc1ccc(O[C@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000822258851 607191075 /nfs/dbraw/zinc/19/10/75/607191075.db2.gz FKSKDXPXQRURGA-LLVKDONJSA-N -1 3 357.801 3.235 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)N[C@H]1CCOC2(CCCCC2)C1 ZINC000823343776 607195173 /nfs/dbraw/zinc/19/51/73/607195173.db2.gz GTAOFZMLKCZOPB-ZDUSSCGKSA-N -1 3 374.420 3.009 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)N[C@H]1CCOC2(CCCCC2)C1 ZINC000823343776 607195174 /nfs/dbraw/zinc/19/51/74/607195174.db2.gz GTAOFZMLKCZOPB-ZDUSSCGKSA-N -1 3 374.420 3.009 20 0 FGADHM O=C(NCc1ccc(F)cc1F)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823254481 607200276 /nfs/dbraw/zinc/20/02/76/607200276.db2.gz VXWVLNKLXKPPLQ-UHFFFAOYSA-N -1 3 364.743 3.120 20 0 FGADHM O=C(NCc1ccc(F)cc1F)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823254481 607200277 /nfs/dbraw/zinc/20/02/77/607200277.db2.gz VXWVLNKLXKPPLQ-UHFFFAOYSA-N -1 3 364.743 3.120 20 0 FGADHM CC[C@@H](NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)c1ccncc1 ZINC000820920050 607203468 /nfs/dbraw/zinc/20/34/68/607203468.db2.gz JRPOIHOKNULOGA-CYBMUJFWSA-N -1 3 357.805 3.188 20 0 FGADHM CC[C@@H](NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)c1ccncc1 ZINC000820920050 607203469 /nfs/dbraw/zinc/20/34/69/607203469.db2.gz JRPOIHOKNULOGA-CYBMUJFWSA-N -1 3 357.805 3.188 20 0 FGADHM CC(C)CC[C@H]1CCCN1C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000820072125 607206520 /nfs/dbraw/zinc/20/65/20/607206520.db2.gz CCNQZDIQOVWICO-OAHLLOKOSA-N -1 3 360.437 3.116 20 0 FGADHM CC(C)CC[C@H]1CCCN1C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000820072125 607206521 /nfs/dbraw/zinc/20/65/21/607206521.db2.gz CCNQZDIQOVWICO-OAHLLOKOSA-N -1 3 360.437 3.116 20 0 FGADHM CC(C)[C@@H](CNC(=O)c1ncc(-c2nnn[n-]2)cc1Cl)c1ccccc1 ZINC000820020810 607232459 /nfs/dbraw/zinc/23/24/59/607232459.db2.gz KIUVGCZLTFUVCZ-CQSZACIVSA-N -1 3 370.844 3.085 20 0 FGADHM CC(C)[C@@H](CNC(=O)c1ncc(-c2nn[n-]n2)cc1Cl)c1ccccc1 ZINC000820020810 607232460 /nfs/dbraw/zinc/23/24/60/607232460.db2.gz KIUVGCZLTFUVCZ-CQSZACIVSA-N -1 3 370.844 3.085 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1c(F)c(F)cc(F)c1F ZINC000823318649 607242569 /nfs/dbraw/zinc/24/25/69/607242569.db2.gz GKOXFXGSJAWGQW-UHFFFAOYSA-N -1 3 371.681 3.329 20 0 FGADHM COc1cc2ccccc2cc1C(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000821728400 607246100 /nfs/dbraw/zinc/24/61/00/607246100.db2.gz VTQAMBIRSAQWHN-UHFFFAOYSA-N -1 3 364.336 3.387 20 0 FGADHM COc1cc2ccccc2cc1C(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000821728400 607246101 /nfs/dbraw/zinc/24/61/01/607246101.db2.gz VTQAMBIRSAQWHN-UHFFFAOYSA-N -1 3 364.336 3.387 20 0 FGADHM O=C(COc1cccc(-c2nnn[n-]2)c1)Nc1cccc2ccsc21 ZINC000826418685 607772508 /nfs/dbraw/zinc/77/25/08/607772508.db2.gz RIXVHOPJHTTYLK-UHFFFAOYSA-N -1 3 351.391 3.099 20 0 FGADHM O=C(COc1cccc(-c2nn[n-]n2)c1)Nc1cccc2ccsc21 ZINC000826418685 607772509 /nfs/dbraw/zinc/77/25/09/607772509.db2.gz RIXVHOPJHTTYLK-UHFFFAOYSA-N -1 3 351.391 3.099 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)CCc1ccc(F)cc1F ZINC000825609962 607776450 /nfs/dbraw/zinc/77/64/50/607776450.db2.gz VEPTUNNNIYASAG-UHFFFAOYSA-N -1 3 374.347 3.082 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)CCc1ccc(F)cc1F ZINC000825609962 607776451 /nfs/dbraw/zinc/77/64/51/607776451.db2.gz VEPTUNNNIYASAG-UHFFFAOYSA-N -1 3 374.347 3.082 20 0 FGADHM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC000825154193 607787725 /nfs/dbraw/zinc/78/77/25/607787725.db2.gz MMTKGPHAVRMRPK-VBQJREDUSA-N -1 3 357.458 3.203 20 0 FGADHM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC000825154193 607787726 /nfs/dbraw/zinc/78/77/26/607787726.db2.gz MMTKGPHAVRMRPK-VBQJREDUSA-N -1 3 357.458 3.203 20 0 FGADHM COc1ccccc1C[C@@H](C)CC(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC000826219750 607788484 /nfs/dbraw/zinc/78/84/84/607788484.db2.gz PIIIJIMDVJHVLX-CQSZACIVSA-N -1 3 365.437 3.107 20 0 FGADHM COc1ccccc1C[C@@H](C)CC(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC000826219750 607788485 /nfs/dbraw/zinc/78/84/85/607788485.db2.gz PIIIJIMDVJHVLX-CQSZACIVSA-N -1 3 365.437 3.107 20 0 FGADHM CC[C@@H](Oc1ccccc1Cl)C(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC000825159309 607789519 /nfs/dbraw/zinc/78/95/19/607789519.db2.gz NENQEZPJVSFYCK-OAHLLOKOSA-N -1 3 371.828 3.341 20 0 FGADHM CC[C@@H](Oc1ccccc1Cl)C(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC000825159309 607789520 /nfs/dbraw/zinc/78/95/20/607789520.db2.gz NENQEZPJVSFYCK-OAHLLOKOSA-N -1 3 371.828 3.341 20 0 FGADHM CCn1cc(CC(=O)N(C)c2ccccc2-c2nnn[n-]2)c2ccccc21 ZINC000825799636 607789570 /nfs/dbraw/zinc/78/95/70/607789570.db2.gz OIUWBFVGUSVZID-UHFFFAOYSA-N -1 3 360.421 3.047 20 0 FGADHM CCn1cc(CC(=O)N(C)c2ccccc2-c2nn[n-]n2)c2ccccc21 ZINC000825799636 607789571 /nfs/dbraw/zinc/78/95/71/607789571.db2.gz OIUWBFVGUSVZID-UHFFFAOYSA-N -1 3 360.421 3.047 20 0 FGADHM CN(C(=O)c1ccc(-n2cccc2)c(F)c1)c1ccccc1-c1nnn[n-]1 ZINC000825825925 607790066 /nfs/dbraw/zinc/79/00/66/607790066.db2.gz NZNRFSSIPQGNHU-UHFFFAOYSA-N -1 3 362.368 3.073 20 0 FGADHM CN(C(=O)c1ccc(-n2cccc2)c(F)c1)c1ccccc1-c1nn[n-]n1 ZINC000825825925 607790067 /nfs/dbraw/zinc/79/00/67/607790067.db2.gz NZNRFSSIPQGNHU-UHFFFAOYSA-N -1 3 362.368 3.073 20 0 FGADHM CCN(C(=O)Cc1cc(-c2ccccc2)on1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825377260 607796619 /nfs/dbraw/zinc/79/66/19/607796619.db2.gz ZLWWOBYKNVIZBE-UHFFFAOYSA-N -1 3 374.404 3.117 20 0 FGADHM CCN(C(=O)Cc1cc(-c2ccccc2)on1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825377260 607796620 /nfs/dbraw/zinc/79/66/20/607796620.db2.gz ZLWWOBYKNVIZBE-UHFFFAOYSA-N -1 3 374.404 3.117 20 0 FGADHM CCN(C(=O)c1cc(Cl)c(Cl)n1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825381069 607797887 /nfs/dbraw/zinc/79/78/87/607797887.db2.gz YYXMMMMZHKYOBT-UHFFFAOYSA-N -1 3 365.224 3.179 20 0 FGADHM CCN(C(=O)c1cc(Cl)c(Cl)n1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825381069 607797888 /nfs/dbraw/zinc/79/78/88/607797888.db2.gz YYXMMMMZHKYOBT-UHFFFAOYSA-N -1 3 365.224 3.179 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)CCCSC(C)(C)C ZINC000826174296 607813974 /nfs/dbraw/zinc/81/39/74/607813974.db2.gz QWLMEEJLBWMQIH-UHFFFAOYSA-N -1 3 350.444 3.093 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)CCCSC(C)(C)C ZINC000826174296 607813975 /nfs/dbraw/zinc/81/39/75/607813975.db2.gz QWLMEEJLBWMQIH-UHFFFAOYSA-N -1 3 350.444 3.093 20 0 FGADHM O=C(NCCc1ccccc1)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000826439751 607832632 /nfs/dbraw/zinc/83/26/32/607832632.db2.gz ILUOBWGWKROGPE-UHFFFAOYSA-N -1 3 362.220 3.146 20 0 FGADHM O=C(NCCc1ccccc1)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000826439751 607832633 /nfs/dbraw/zinc/83/26/33/607832633.db2.gz ILUOBWGWKROGPE-UHFFFAOYSA-N -1 3 362.220 3.146 20 0 FGADHM CCC[C@H](C)NC(=O)[C@@H](C)Sc1ccc(-c2nnn[n-]2)cc1Cl ZINC000825233519 607844510 /nfs/dbraw/zinc/84/45/10/607844510.db2.gz QJLGAGOKJNRJTB-VHSXEESVSA-N -1 3 353.879 3.306 20 0 FGADHM CCC[C@H](C)NC(=O)[C@@H](C)Sc1ccc(-c2nn[n-]n2)cc1Cl ZINC000825233519 607844511 /nfs/dbraw/zinc/84/45/11/607844511.db2.gz QJLGAGOKJNRJTB-VHSXEESVSA-N -1 3 353.879 3.306 20 0 FGADHM Clc1ccc(Br)cc1Oc1ccc(-c2nnn[n-]2)cn1 ZINC000826351330 607867052 /nfs/dbraw/zinc/86/70/52/607867052.db2.gz ILRHNGMNIPXICC-UHFFFAOYSA-N -1 3 352.579 3.470 20 0 FGADHM Clc1ccc(Br)cc1Oc1ccc(-c2nn[n-]n2)cn1 ZINC000826351330 607867053 /nfs/dbraw/zinc/86/70/53/607867053.db2.gz ILRHNGMNIPXICC-UHFFFAOYSA-N -1 3 352.579 3.470 20 0 FGADHM C[C@H](OC[C@@H](O)COc1ccccc1-c1nnn[n-]1)c1ccc(Cl)cc1 ZINC000824731543 607870085 /nfs/dbraw/zinc/87/00/85/607870085.db2.gz WPIUJFCAGSSEEH-SWLSCSKDSA-N -1 3 374.828 3.038 20 0 FGADHM C[C@H](OC[C@@H](O)COc1ccccc1-c1nn[n-]n1)c1ccc(Cl)cc1 ZINC000824731543 607870086 /nfs/dbraw/zinc/87/00/86/607870086.db2.gz WPIUJFCAGSSEEH-SWLSCSKDSA-N -1 3 374.828 3.038 20 0 FGADHM C[C@@H](OC[C@H](O)COc1ccccc1-c1nnn[n-]1)c1ccc(Cl)cc1 ZINC000824731539 607870118 /nfs/dbraw/zinc/87/01/18/607870118.db2.gz WPIUJFCAGSSEEH-DOMZBBRYSA-N -1 3 374.828 3.038 20 0 FGADHM C[C@@H](OC[C@H](O)COc1ccccc1-c1nn[n-]n1)c1ccc(Cl)cc1 ZINC000824731539 607870119 /nfs/dbraw/zinc/87/01/19/607870119.db2.gz WPIUJFCAGSSEEH-DOMZBBRYSA-N -1 3 374.828 3.038 20 0 FGADHM O[C@@H](COc1ccc(-c2nnn[n-]2)c(F)c1)c1cccc(C(F)(F)F)c1 ZINC000826504006 607874503 /nfs/dbraw/zinc/87/45/03/607874503.db2.gz LIPPAOJCOURQAZ-AWEZNQCLSA-N -1 3 368.290 3.137 20 0 FGADHM O[C@@H](COc1ccc(-c2nn[n-]n2)c(F)c1)c1cccc(C(F)(F)F)c1 ZINC000826504006 607874504 /nfs/dbraw/zinc/87/45/04/607874504.db2.gz LIPPAOJCOURQAZ-AWEZNQCLSA-N -1 3 368.290 3.137 20 0 FGADHM Cc1c2cccc(C)c2oc1C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826233962 607946349 /nfs/dbraw/zinc/94/63/49/607946349.db2.gz BMSRXWHWRAGQDM-UHFFFAOYSA-N -1 3 359.389 3.433 20 0 FGADHM Cc1c2cccc(C)c2oc1C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826233962 607946350 /nfs/dbraw/zinc/94/63/50/607946350.db2.gz BMSRXWHWRAGQDM-UHFFFAOYSA-N -1 3 359.389 3.433 20 0 FGADHM Cc1ccsc1CCCC(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826316279 607951650 /nfs/dbraw/zinc/95/16/50/607951650.db2.gz JGJAFLWLYPJQGK-UHFFFAOYSA-N -1 3 353.451 3.149 20 0 FGADHM Cc1ccsc1CCCC(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826316279 607951651 /nfs/dbraw/zinc/95/16/51/607951651.db2.gz JGJAFLWLYPJQGK-UHFFFAOYSA-N -1 3 353.451 3.149 20 0 FGADHM CC(C)[C@@H](Cc1ccccc1)C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000824193085 607954533 /nfs/dbraw/zinc/95/45/33/607954533.db2.gz RYUNGESMBUUYDD-GOSISDBHSA-N -1 3 361.449 3.271 20 0 FGADHM CC(C)[C@@H](Cc1ccccc1)C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000824193085 607954534 /nfs/dbraw/zinc/95/45/34/607954534.db2.gz RYUNGESMBUUYDD-GOSISDBHSA-N -1 3 361.449 3.271 20 0 FGADHM O=C(C=Cc1ccnc(Cl)c1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000826402897 607963731 /nfs/dbraw/zinc/96/37/31/607963731.db2.gz FJWXKAYPRUMLLZ-RJRFIUFISA-N -1 3 361.192 3.220 20 0 FGADHM O=C(C=Cc1ccnc(Cl)c1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000826402897 607963732 /nfs/dbraw/zinc/96/37/32/607963732.db2.gz FJWXKAYPRUMLLZ-RJRFIUFISA-N -1 3 361.192 3.220 20 0 FGADHM CCCn1c2ccc(-c3nnn[n-]3)cc2nc1-c1cnn(C(C)(C)C)c1 ZINC000825352459 607974932 /nfs/dbraw/zinc/97/49/32/607974932.db2.gz NXXQTDBXVZWRBU-UHFFFAOYSA-N -1 3 350.430 3.245 20 0 FGADHM CCCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1cnn(C(C)(C)C)c1 ZINC000825352459 607974933 /nfs/dbraw/zinc/97/49/33/607974933.db2.gz NXXQTDBXVZWRBU-UHFFFAOYSA-N -1 3 350.430 3.245 20 0 FGADHM c1ccc(Cn2c(-c3cccc(-c4nnn[n-]4)c3)nc3cccnc32)cc1 ZINC000826522024 607976205 /nfs/dbraw/zinc/97/62/05/607976205.db2.gz IQHIIRXGSYTKCV-UHFFFAOYSA-N -1 3 353.389 3.327 20 0 FGADHM c1ccc(Cn2c(-c3cccc(-c4nn[n-]n4)c3)nc3cccnc32)cc1 ZINC000826522024 607976206 /nfs/dbraw/zinc/97/62/06/607976206.db2.gz IQHIIRXGSYTKCV-UHFFFAOYSA-N -1 3 353.389 3.327 20 0 FGADHM O=C(C=Cc1ccc(Cl)nc1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826399870 608000435 /nfs/dbraw/zinc/00/04/35/608000435.db2.gz IRIAYROTBBBQCX-QHHAFSJGSA-N -1 3 361.192 3.220 20 0 FGADHM O=C(C=Cc1ccc(Cl)nc1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826399870 608000436 /nfs/dbraw/zinc/00/04/36/608000436.db2.gz IRIAYROTBBBQCX-QHHAFSJGSA-N -1 3 361.192 3.220 20 0 FGADHM CCc1c(C)sc(NC(=O)C=Cc2ccc(Cl)nc2)c1-c1nnn[n-]1 ZINC000825688232 608003936 /nfs/dbraw/zinc/00/39/36/608003936.db2.gz UKFXDNHRNLTYCL-FNORWQNLSA-N -1 3 374.857 3.499 20 0 FGADHM CCc1c(C)sc(NC(=O)C=Cc2ccc(Cl)nc2)c1-c1nn[n-]n1 ZINC000825688232 608003937 /nfs/dbraw/zinc/00/39/37/608003937.db2.gz UKFXDNHRNLTYCL-FNORWQNLSA-N -1 3 374.857 3.499 20 0 FGADHM COCC[C@H](Sc1nc(C)nc(C)c1-c1nnn[n-]1)c1ccccc1 ZINC000826155420 608014458 /nfs/dbraw/zinc/01/44/58/608014458.db2.gz PRBXRKKHFHLEGE-AWEZNQCLSA-N -1 3 356.455 3.143 20 0 FGADHM Cc1cncc(CNc2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)c1 ZINC000826319431 608017293 /nfs/dbraw/zinc/01/72/93/608017293.db2.gz CIWZZXDQODIHPI-UHFFFAOYSA-N -1 3 353.336 3.009 20 0 FGADHM Cc1cncc(CNc2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)c1 ZINC000826319431 608017294 /nfs/dbraw/zinc/01/72/94/608017294.db2.gz CIWZZXDQODIHPI-UHFFFAOYSA-N -1 3 353.336 3.009 20 0 FGADHM CC[C@@H](C)n1ncc(C(=O)Oc2ccc(-c3nnn[n-]3)cc2F)c1C1CC1 ZINC000825081891 608029776 /nfs/dbraw/zinc/02/97/76/608029776.db2.gz ODRCQARMTPJIPS-SNVBAGLBSA-N -1 3 370.388 3.270 20 0 FGADHM CC[C@@H](C)n1ncc(C(=O)Oc2ccc(-c3nn[n-]n3)cc2F)c1C1CC1 ZINC000825081891 608029777 /nfs/dbraw/zinc/02/97/77/608029777.db2.gz ODRCQARMTPJIPS-SNVBAGLBSA-N -1 3 370.388 3.270 20 0 FGADHM Clc1ccc(CNc2ccc(-c3nn[n-]n3)cc2Br)cn1 ZINC000826352329 608048026 /nfs/dbraw/zinc/04/80/26/608048026.db2.gz XBFHHOXGTJCIFF-UHFFFAOYSA-N -1 3 365.622 3.290 20 0 FGADHM CC(C)C[C@@H](CCO)CNc1ccc(-c2nn[n-]n2)cc1Br ZINC000824236145 608050608 /nfs/dbraw/zinc/05/06/08/608050608.db2.gz MRIDQKDCKMQRKC-LLVKDONJSA-N -1 3 368.279 3.086 20 0 FGADHM Cc1ccc(Br)c(NC(=O)Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826281397 608072797 /nfs/dbraw/zinc/07/27/97/608072797.db2.gz PUGCQPYHDSSMOY-UHFFFAOYSA-N -1 3 372.226 3.119 20 0 FGADHM Cc1ccc(Br)c(NC(=O)Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826281397 608072798 /nfs/dbraw/zinc/07/27/98/608072798.db2.gz PUGCQPYHDSSMOY-UHFFFAOYSA-N -1 3 372.226 3.119 20 0 FGADHM O=C(CCC1CCCCC1)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826405687 608080470 /nfs/dbraw/zinc/08/04/70/608080470.db2.gz PPOWSLWEYUDHDQ-GOSISDBHSA-N -1 3 369.469 3.127 20 0 FGADHM O=C(CCC1CCCCC1)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826405687 608080471 /nfs/dbraw/zinc/08/04/71/608080471.db2.gz PPOWSLWEYUDHDQ-GOSISDBHSA-N -1 3 369.469 3.127 20 0 FGADHM O=C(CC1CCCCCC1)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826404215 608082136 /nfs/dbraw/zinc/08/21/36/608082136.db2.gz SPQJOYNDKSSFPM-SFHVURJKSA-N -1 3 369.469 3.127 20 0 FGADHM O=C(CC1CCCCCC1)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826404215 608082137 /nfs/dbraw/zinc/08/21/37/608082137.db2.gz SPQJOYNDKSSFPM-SFHVURJKSA-N -1 3 369.469 3.127 20 0 FGADHM C[C@@H]1CCc2ccccc2[C@H]1NC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000824969381 608102569 /nfs/dbraw/zinc/10/25/69/608102569.db2.gz SZZDLIIMOCQKGS-VLIAUNLRSA-N -1 3 361.449 3.239 20 0 FGADHM C[C@@H]1CCc2ccccc2[C@H]1NC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000824969381 608102570 /nfs/dbraw/zinc/10/25/70/608102570.db2.gz SZZDLIIMOCQKGS-VLIAUNLRSA-N -1 3 361.449 3.239 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)N1CC[C@H](C2CC2)C1 ZINC000826452556 608119194 /nfs/dbraw/zinc/11/91/94/608119194.db2.gz XQZQRDSPXNXDCR-JTQLQIEISA-N -1 3 366.347 3.149 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)N1CC[C@H](C2CC2)C1 ZINC000826452556 608119195 /nfs/dbraw/zinc/11/91/95/608119195.db2.gz XQZQRDSPXNXDCR-JTQLQIEISA-N -1 3 366.347 3.149 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@@H](C)c1c(F)cccc1F ZINC000825609493 608122735 /nfs/dbraw/zinc/12/27/35/608122735.db2.gz NTDNMWUDUVNPNN-JTQLQIEISA-N -1 3 374.347 3.253 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@@H](C)c1c(F)cccc1F ZINC000825609493 608122736 /nfs/dbraw/zinc/12/27/36/608122736.db2.gz NTDNMWUDUVNPNN-JTQLQIEISA-N -1 3 374.347 3.253 20 0 FGADHM O=C(O[C@H]1CCOc2c(Cl)cccc21)c1sccc1-c1nnn[n-]1 ZINC000826463057 608128916 /nfs/dbraw/zinc/12/89/16/608128916.db2.gz QWNKJBWPHPEJCA-NSHDSACASA-N -1 3 362.798 3.262 20 0 FGADHM Cc1cc(C)cc([C@@H]2CCN(C(=O)Cc3cccc(-c4nnn[n-]4)c3)C2)c1 ZINC000826264260 608131393 /nfs/dbraw/zinc/13/13/93/608131393.db2.gz HVQVUTHGYXVCKF-GOSISDBHSA-N -1 3 361.449 3.042 20 0 FGADHM Cc1cc(C)cc([C@@H]2CCN(C(=O)Cc3cccc(-c4nn[n-]n4)c3)C2)c1 ZINC000826264260 608131394 /nfs/dbraw/zinc/13/13/94/608131394.db2.gz HVQVUTHGYXVCKF-GOSISDBHSA-N -1 3 361.449 3.042 20 0 FGADHM CCC(CC)(CC)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OCCOC ZINC000825089255 608138363 /nfs/dbraw/zinc/13/83/63/608138363.db2.gz AMQQEZZHEYAZBI-UHFFFAOYSA-N -1 3 361.446 3.047 20 0 FGADHM CCC(CC)(CC)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OCCOC ZINC000825089255 608138364 /nfs/dbraw/zinc/13/83/64/608138364.db2.gz AMQQEZZHEYAZBI-UHFFFAOYSA-N -1 3 361.446 3.047 20 0 FGADHM Cc1nn(C(C)(C)C)cc1C(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826332768 608142727 /nfs/dbraw/zinc/14/27/27/608142727.db2.gz HDFIVNZRZFBLPH-GFCCVEGCSA-N -1 3 354.414 3.045 20 0 FGADHM Cc1nn(C(C)(C)C)cc1C(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826332768 608142728 /nfs/dbraw/zinc/14/27/28/608142728.db2.gz HDFIVNZRZFBLPH-GFCCVEGCSA-N -1 3 354.414 3.045 20 0 FGADHM C[C@@H]1CCC[C@H](CSCC(=O)NCc2cccc(-c3nnn[n-]3)c2)C1 ZINC000824927116 608155157 /nfs/dbraw/zinc/15/51/57/608155157.db2.gz MSCHEMWCYLWKPJ-HIFRSBDPSA-N -1 3 359.499 3.042 20 0 FGADHM C[C@@H]1CCC[C@H](CSCC(=O)NCc2cccc(-c3nn[n-]n3)c2)C1 ZINC000824927116 608155158 /nfs/dbraw/zinc/15/51/58/608155158.db2.gz MSCHEMWCYLWKPJ-HIFRSBDPSA-N -1 3 359.499 3.042 20 0 FGADHM CCn1c(NC(=O)c2sccc2-c2nnn[n-]2)nc2cc(Cl)ccc21 ZINC000825796600 608168111 /nfs/dbraw/zinc/16/81/11/608168111.db2.gz JHAJMSJDWDKEPP-UHFFFAOYSA-N -1 3 373.829 3.204 20 0 FGADHM CCn1c(NC(=O)c2sccc2-c2nn[n-]n2)nc2cc(Cl)ccc21 ZINC000825796600 608168112 /nfs/dbraw/zinc/16/81/12/608168112.db2.gz JHAJMSJDWDKEPP-UHFFFAOYSA-N -1 3 373.829 3.204 20 0 FGADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)C=C1CCC(C)CC1 ZINC000825789056 608175478 /nfs/dbraw/zinc/17/54/78/608175478.db2.gz VSJLVXKEKUQATQ-UHFFFAOYSA-N -1 3 365.441 3.311 20 0 FGADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)C=C1CCC(C)CC1 ZINC000825789056 608175479 /nfs/dbraw/zinc/17/54/79/608175479.db2.gz VSJLVXKEKUQATQ-UHFFFAOYSA-N -1 3 365.441 3.311 20 0 FGADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)c1ccc(Cl)cc1 ZINC000825793526 608176124 /nfs/dbraw/zinc/17/61/24/608176124.db2.gz WESSFEJENHEJMN-UHFFFAOYSA-N -1 3 367.800 3.142 20 0 FGADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)c1ccc(Cl)cc1 ZINC000825793526 608176125 /nfs/dbraw/zinc/17/61/25/608176125.db2.gz WESSFEJENHEJMN-UHFFFAOYSA-N -1 3 367.800 3.142 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H]1CC12CCCCC2 ZINC000825627335 608204481 /nfs/dbraw/zinc/20/44/81/608204481.db2.gz XIEIPJXQEZJUST-OAHLLOKOSA-N -1 3 356.430 3.110 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@H]1CC12CCCCC2 ZINC000825627335 608204482 /nfs/dbraw/zinc/20/44/82/608204482.db2.gz XIEIPJXQEZJUST-OAHLLOKOSA-N -1 3 356.430 3.110 20 0 FGADHM C[C@@H](C[C@H](O)c1ccccc1)Nc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000824390513 608233447 /nfs/dbraw/zinc/23/34/47/608233447.db2.gz ASDIEYQWIZWELG-UGSOOPFHSA-N -1 3 360.421 3.339 20 0 FGADHM C[C@@H](C[C@H](O)c1ccccc1)Nc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000824390513 608233449 /nfs/dbraw/zinc/23/34/49/608233449.db2.gz ASDIEYQWIZWELG-UGSOOPFHSA-N -1 3 360.421 3.339 20 0 FGADHM CC(C)[C@H]1C[C@@H](Nc2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)CCO1 ZINC000824216349 608242908 /nfs/dbraw/zinc/24/29/08/608242908.db2.gz QBVZZYILIGEJPQ-BLLLJJGKSA-N -1 3 372.860 3.106 20 0 FGADHM CC(C)[C@H]1C[C@@H](Nc2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)CCO1 ZINC000824216349 608242910 /nfs/dbraw/zinc/24/29/10/608242910.db2.gz QBVZZYILIGEJPQ-BLLLJJGKSA-N -1 3 372.860 3.106 20 0 FGADHM Fc1cccc([C@@H](NCc2cccc(-c3nn[n-]n3)c2)c2ccccn2)c1 ZINC000826376808 608243406 /nfs/dbraw/zinc/24/34/06/608243406.db2.gz SYIZERACXGSRQF-LJQANCHMSA-N -1 3 360.396 3.280 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H](C)c1cccc(F)c1F ZINC000826278198 608273104 /nfs/dbraw/zinc/27/31/04/608273104.db2.gz UBNPZSCFKMKANE-SNVBAGLBSA-N -1 3 358.352 3.336 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H](C)c1cccc(F)c1F ZINC000826278198 608273106 /nfs/dbraw/zinc/27/31/06/608273106.db2.gz UBNPZSCFKMKANE-SNVBAGLBSA-N -1 3 358.352 3.336 20 0 FGADHM Cc1ccc(C)c(OC2CCN(c3nc(C)ccc3-c3nnn[n-]3)CC2)c1 ZINC000826285078 608277892 /nfs/dbraw/zinc/27/78/92/608277892.db2.gz OZRCBNDAUUZHPX-UHFFFAOYSA-N -1 3 364.453 3.235 20 0 FGADHM Cc1ccc(C)c(OC2CCN(c3nc(C)ccc3-c3nn[n-]n3)CC2)c1 ZINC000826285078 608277893 /nfs/dbraw/zinc/27/78/93/608277893.db2.gz OZRCBNDAUUZHPX-UHFFFAOYSA-N -1 3 364.453 3.235 20 0 FGADHM CCS[C@@H]1CCCCN(c2nc3c(cc2-c2nnn[n-]2)CCCC3)C1 ZINC000825668501 608286340 /nfs/dbraw/zinc/28/63/40/608286340.db2.gz GBPXQCAUHYFTSB-CQSZACIVSA-N -1 3 358.515 3.253 20 0 FGADHM CCS[C@@H]1CCCCN(c2nc3c(cc2-c2nn[n-]n2)CCCC3)C1 ZINC000825668501 608286341 /nfs/dbraw/zinc/28/63/41/608286341.db2.gz GBPXQCAUHYFTSB-CQSZACIVSA-N -1 3 358.515 3.253 20 0 FGADHM COc1ccc(C[C@H]2CCCN(c3nc(C)ccc3-c3nnn[n-]3)C2)cc1 ZINC000826191576 608290804 /nfs/dbraw/zinc/29/08/04/608290804.db2.gz JTVBAAJQSMBWDP-MRXNPFEDSA-N -1 3 364.453 3.038 20 0 FGADHM COc1ccc(C[C@H]2CCCN(c3nc(C)ccc3-c3nn[n-]n3)C2)cc1 ZINC000826191576 608290806 /nfs/dbraw/zinc/29/08/06/608290806.db2.gz JTVBAAJQSMBWDP-MRXNPFEDSA-N -1 3 364.453 3.038 20 0 FGADHM CN(C)c1nccc(NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)n1 ZINC000825886885 608294174 /nfs/dbraw/zinc/29/41/74/608294174.db2.gz AHHICOKOCJPJGL-UHFFFAOYSA-N -1 3 372.436 3.002 20 0 FGADHM CC(C)[C@H](CNc1nc2c(cc1-c1nnn[n-]1)CCCC2)c1cccnc1 ZINC000824193087 608294913 /nfs/dbraw/zinc/29/49/13/608294913.db2.gz SBEULGGZHXQXGA-KRWDZBQOSA-N -1 3 363.469 3.387 20 0 FGADHM CC(C)[C@H](CNc1nc2c(cc1-c1nn[n-]n1)CCCC2)c1cccnc1 ZINC000824193087 608294914 /nfs/dbraw/zinc/29/49/14/608294914.db2.gz SBEULGGZHXQXGA-KRWDZBQOSA-N -1 3 363.469 3.387 20 0 FGADHM CC(C)(C)OC(=O)CCCCNc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC000824099356 608294968 /nfs/dbraw/zinc/29/49/68/608294968.db2.gz FPMREGGEIPGXEX-UHFFFAOYSA-N -1 3 372.473 3.064 20 0 FGADHM CC(C)(C)OC(=O)CCCCNc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC000824099356 608294970 /nfs/dbraw/zinc/29/49/70/608294970.db2.gz FPMREGGEIPGXEX-UHFFFAOYSA-N -1 3 372.473 3.064 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)c(N2CCc3cc(Cl)cc(Cl)c3C2)n1 ZINC000826274984 608295052 /nfs/dbraw/zinc/29/50/52/608295052.db2.gz KUTMNQBRYMFVET-UHFFFAOYSA-N -1 3 361.236 3.440 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)c(N2CCc3cc(Cl)cc(Cl)c3C2)n1 ZINC000826274984 608295053 /nfs/dbraw/zinc/29/50/53/608295053.db2.gz KUTMNQBRYMFVET-UHFFFAOYSA-N -1 3 361.236 3.440 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cnc(Oc2ccccc2)cn1 ZINC000826278776 608301315 /nfs/dbraw/zinc/30/13/15/608301315.db2.gz SFXAYYUUCPSMPH-UHFFFAOYSA-N -1 3 373.376 3.010 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cnc(Oc2ccccc2)cn1 ZINC000826278776 608301317 /nfs/dbraw/zinc/30/13/17/608301317.db2.gz SFXAYYUUCPSMPH-UHFFFAOYSA-N -1 3 373.376 3.010 20 0 FGADHM Cc1ccoc1C(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000826315587 608305471 /nfs/dbraw/zinc/30/54/71/608305471.db2.gz NGCFMDWTGKMMBY-UHFFFAOYSA-N -1 3 359.389 3.365 20 0 FGADHM Cc1ccoc1C(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000826315587 608305473 /nfs/dbraw/zinc/30/54/73/608305473.db2.gz NGCFMDWTGKMMBY-UHFFFAOYSA-N -1 3 359.389 3.365 20 0 FGADHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)c1ccc(F)c(Cl)c1F ZINC000826464649 608321580 /nfs/dbraw/zinc/32/15/80/608321580.db2.gz GUHAZLMITKTFFJ-UHFFFAOYSA-N -1 3 368.702 3.294 20 0 FGADHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)c1ccc(F)c(Cl)c1F ZINC000826464649 608321581 /nfs/dbraw/zinc/32/15/81/608321581.db2.gz GUHAZLMITKTFFJ-UHFFFAOYSA-N -1 3 368.702 3.294 20 0 FGADHM COc1ccc(CSCc2ccc(-c3nnn[n-]3)cc2OC)cc1F ZINC000826208051 608323080 /nfs/dbraw/zinc/32/30/80/608323080.db2.gz QUNXEMSFTHCXHM-UHFFFAOYSA-N -1 3 360.414 3.456 20 0 FGADHM COc1ccc(CSCc2ccc(-c3nn[n-]n3)cc2OC)cc1F ZINC000826208051 608323081 /nfs/dbraw/zinc/32/30/81/608323081.db2.gz QUNXEMSFTHCXHM-UHFFFAOYSA-N -1 3 360.414 3.456 20 0 FGADHM COc1cccc(OCCSCc2ccc(-c3nnn[n-]3)cc2OC)c1 ZINC000826217501 608323206 /nfs/dbraw/zinc/32/32/06/608323206.db2.gz PJVUSJXQSLJGGY-UHFFFAOYSA-N -1 3 372.450 3.196 20 0 FGADHM COc1cccc(OCCSCc2ccc(-c3nn[n-]n3)cc2OC)c1 ZINC000826217501 608323207 /nfs/dbraw/zinc/32/32/07/608323207.db2.gz PJVUSJXQSLJGGY-UHFFFAOYSA-N -1 3 372.450 3.196 20 0 FGADHM O=C(NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000826440220 608330290 /nfs/dbraw/zinc/33/02/90/608330290.db2.gz DQOCDXAJMMYSHO-DZFIZOCASA-N -1 3 359.433 3.196 20 0 FGADHM O=C(NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000826440220 608330292 /nfs/dbraw/zinc/33/02/92/608330292.db2.gz DQOCDXAJMMYSHO-DZFIZOCASA-N -1 3 359.433 3.196 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1CN1CCCC[C@@H]1c1nc(C)cs1 ZINC000826169415 608356995 /nfs/dbraw/zinc/35/69/95/608356995.db2.gz RSNVPZWWZSGQND-OAHLLOKOSA-N -1 3 370.482 3.367 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1CN1CCCC[C@@H]1c1nc(C)cs1 ZINC000826169415 608356996 /nfs/dbraw/zinc/35/69/96/608356996.db2.gz RSNVPZWWZSGQND-OAHLLOKOSA-N -1 3 370.482 3.367 20 0 FGADHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(NCc3ccc([C@@H](C)O)cc3)c2c1 ZINC000826263652 608374541 /nfs/dbraw/zinc/37/45/41/608374541.db2.gz LKGDHVXVJTZNCK-CQSZACIVSA-N -1 3 374.448 3.119 20 0 FGADHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(NCc3ccc([C@@H](C)O)cc3)c2c1 ZINC000826263652 608374543 /nfs/dbraw/zinc/37/45/43/608374543.db2.gz LKGDHVXVJTZNCK-CQSZACIVSA-N -1 3 374.448 3.119 20 0 FGADHM CCc1ccc(N[C@H](C(=O)OC)c2cccc(-c3nnn[n-]3)c2)cc1CC ZINC000825718111 608390230 /nfs/dbraw/zinc/39/02/30/608390230.db2.gz WBWDMLKVCQTMBE-SFHVURJKSA-N -1 3 365.437 3.318 20 0 FGADHM CCc1ccc(N[C@H](C(=O)OC)c2cccc(-c3nn[n-]n3)c2)cc1CC ZINC000825718111 608390232 /nfs/dbraw/zinc/39/02/32/608390232.db2.gz WBWDMLKVCQTMBE-SFHVURJKSA-N -1 3 365.437 3.318 20 0 FGADHM Cc1csc([C@H]2CCCCN2Cc2cccc(-c3nnn[n-]3)c2F)n1 ZINC000826320249 608391242 /nfs/dbraw/zinc/39/12/42/608391242.db2.gz KODIIYBNUWNWRP-CQSZACIVSA-N -1 3 358.446 3.498 20 0 FGADHM Cc1csc([C@H]2CCCCN2Cc2cccc(-c3nn[n-]n3)c2F)n1 ZINC000826320249 608391245 /nfs/dbraw/zinc/39/12/45/608391245.db2.gz KODIIYBNUWNWRP-CQSZACIVSA-N -1 3 358.446 3.498 20 0 FGADHM Cc1csc([C@@H]2CCCCN2Cc2cccc(-c3nnn[n-]3)c2F)n1 ZINC000826320248 608391303 /nfs/dbraw/zinc/39/13/03/608391303.db2.gz KODIIYBNUWNWRP-AWEZNQCLSA-N -1 3 358.446 3.498 20 0 FGADHM Cc1csc([C@@H]2CCCCN2Cc2cccc(-c3nn[n-]n3)c2F)n1 ZINC000826320248 608391305 /nfs/dbraw/zinc/39/13/05/608391305.db2.gz KODIIYBNUWNWRP-AWEZNQCLSA-N -1 3 358.446 3.498 20 0 FGADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(N2CCC[C@H]2c2ccncc2)n1 ZINC000826368470 608398605 /nfs/dbraw/zinc/39/86/05/608398605.db2.gz QMFYVNWZNMCYNM-LBPRGKRZSA-N -1 3 361.331 3.017 20 0 FGADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(N2CCC[C@H]2c2ccncc2)n1 ZINC000826368470 608398606 /nfs/dbraw/zinc/39/86/06/608398606.db2.gz QMFYVNWZNMCYNM-LBPRGKRZSA-N -1 3 361.331 3.017 20 0 FGADHM CCC[C@@H](CC)NC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000825231863 608401285 /nfs/dbraw/zinc/40/12/85/608401285.db2.gz BLSGVEHHIKODFO-QGZVFWFLSA-N -1 3 354.458 3.244 20 0 FGADHM CCC[C@@H](CC)NC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825231863 608401287 /nfs/dbraw/zinc/40/12/87/608401287.db2.gz BLSGVEHHIKODFO-QGZVFWFLSA-N -1 3 354.458 3.244 20 0 FGADHM CC[C@@H](N[C@H](C(=O)OC)c1ccc(-c2nnn[n-]2)cc1)c1ccc(C)cc1 ZINC000825141827 608426345 /nfs/dbraw/zinc/42/63/45/608426345.db2.gz QHSBVRDHGKYGPK-MSOLQXFVSA-N -1 3 365.437 3.130 20 0 FGADHM CC[C@@H](N[C@H](C(=O)OC)c1ccc(-c2nn[n-]n2)cc1)c1ccc(C)cc1 ZINC000825141827 608426347 /nfs/dbraw/zinc/42/63/47/608426347.db2.gz QHSBVRDHGKYGPK-MSOLQXFVSA-N -1 3 365.437 3.130 20 0 FGADHM CC(C)(Oc1ccc(F)cc1)C(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000824178047 608436497 /nfs/dbraw/zinc/43/64/97/608436497.db2.gz LJOIOPORHPVJEW-UHFFFAOYSA-N -1 3 374.347 3.046 20 0 FGADHM CC(C)(Oc1ccc(F)cc1)C(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000824178047 608436499 /nfs/dbraw/zinc/43/64/99/608436499.db2.gz LJOIOPORHPVJEW-UHFFFAOYSA-N -1 3 374.347 3.046 20 0 FGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)c1ccc(C(F)(F)F)cc1 ZINC000826466838 608437831 /nfs/dbraw/zinc/43/78/31/608437831.db2.gz VUEWBMZHGKYJEO-UHFFFAOYSA-N -1 3 366.274 3.382 20 0 FGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)c1ccc(C(F)(F)F)cc1 ZINC000826466838 608437832 /nfs/dbraw/zinc/43/78/32/608437832.db2.gz VUEWBMZHGKYJEO-UHFFFAOYSA-N -1 3 366.274 3.382 20 0 FGADHM Cc1ccc(C(C)(C)C(=O)OCc2cccc(-c3nnn[n-]3)c2F)cc1 ZINC000826282350 608446538 /nfs/dbraw/zinc/44/65/38/608446538.db2.gz KAMYORVTECIMMQ-UHFFFAOYSA-N -1 3 354.385 3.335 20 0 FGADHM Cc1ccc(C(C)(C)C(=O)OCc2cccc(-c3nn[n-]n3)c2F)cc1 ZINC000826282350 608446539 /nfs/dbraw/zinc/44/65/39/608446539.db2.gz KAMYORVTECIMMQ-UHFFFAOYSA-N -1 3 354.385 3.335 20 0 FGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)c1cccc(F)c1Cl ZINC000826466907 608450543 /nfs/dbraw/zinc/45/05/43/608450543.db2.gz YMDXBSXXEWDILT-UHFFFAOYSA-N -1 3 350.712 3.155 20 0 FGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)c1cccc(F)c1Cl ZINC000826466907 608450544 /nfs/dbraw/zinc/45/05/44/608450544.db2.gz YMDXBSXXEWDILT-UHFFFAOYSA-N -1 3 350.712 3.155 20 0 FGADHM COc1ccc(NCc2cc(-c3nnn[n-]3)cs2)c(Br)c1 ZINC000826210171 608451451 /nfs/dbraw/zinc/45/14/51/608451451.db2.gz HTLSUJYNWGYSSN-UHFFFAOYSA-N -1 3 366.244 3.311 20 0 FGADHM COc1ccc(NCc2cc(-c3nn[n-]n3)cs2)c(Br)c1 ZINC000826210171 608451452 /nfs/dbraw/zinc/45/14/52/608451452.db2.gz HTLSUJYNWGYSSN-UHFFFAOYSA-N -1 3 366.244 3.311 20 0 FGADHM Cc1ccc(CC(=O)OCc2cccc(-c3nnn[n-]3)c2F)c(Cl)c1 ZINC000826286416 608453724 /nfs/dbraw/zinc/45/37/24/608453724.db2.gz BFEVPZPPIPNAMO-UHFFFAOYSA-N -1 3 360.776 3.254 20 0 FGADHM Cc1ccc(CC(=O)OCc2cccc(-c3nn[n-]n3)c2F)c(Cl)c1 ZINC000826286416 608453726 /nfs/dbraw/zinc/45/37/26/608453726.db2.gz BFEVPZPPIPNAMO-UHFFFAOYSA-N -1 3 360.776 3.254 20 0 FGADHM CCC(=O)c1cc(C(=O)OCc2cccc(-c3nnn[n-]3)c2F)ccc1F ZINC000825034543 608454754 /nfs/dbraw/zinc/45/47/54/608454754.db2.gz LDJSQYAUZYFYHX-UHFFFAOYSA-N -1 3 372.331 3.095 20 0 FGADHM CCC(=O)c1cc(C(=O)OCc2cccc(-c3nn[n-]n3)c2F)ccc1F ZINC000825034543 608454755 /nfs/dbraw/zinc/45/47/55/608454755.db2.gz LDJSQYAUZYFYHX-UHFFFAOYSA-N -1 3 372.331 3.095 20 0 FGADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@H](C(C)(C)C)C(F)(F)F ZINC000824737669 608455343 /nfs/dbraw/zinc/45/53/43/608455343.db2.gz KDQPEYAPPHTIBB-LKFCYVNXSA-N -1 3 372.347 3.154 20 0 FGADHM O=C(Nc1cccc(F)c1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826456438 608469796 /nfs/dbraw/zinc/46/97/96/608469796.db2.gz DWAFCDIVCSKLNG-UHFFFAOYSA-N -1 3 364.384 3.327 20 0 FGADHM O=C(Nc1cccc(F)c1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826456438 608469797 /nfs/dbraw/zinc/46/97/97/608469797.db2.gz DWAFCDIVCSKLNG-UHFFFAOYSA-N -1 3 364.384 3.327 20 0 FGADHM C[C@H](OC(=O)c1cnn(C)c1-c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824723076 608474482 /nfs/dbraw/zinc/47/44/82/608474482.db2.gz MKTJTKJXAFTFIE-ZDUSSCGKSA-N -1 3 374.404 3.185 20 0 FGADHM C[C@H](OC(=O)c1cnn(C)c1-c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824723076 608474484 /nfs/dbraw/zinc/47/44/84/608474484.db2.gz MKTJTKJXAFTFIE-ZDUSSCGKSA-N -1 3 374.404 3.185 20 0 FGADHM CSCCCCC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826228303 608480416 /nfs/dbraw/zinc/48/04/16/608480416.db2.gz LEWIEHLSJODPKO-UHFFFAOYSA-N -1 3 357.483 3.016 20 0 FGADHM CSCCCCC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826228303 608480418 /nfs/dbraw/zinc/48/04/18/608480418.db2.gz LEWIEHLSJODPKO-UHFFFAOYSA-N -1 3 357.483 3.016 20 0 FGADHM C[C@@H](NCc1noc(C2CCCCC2)n1)c1cccc(-c2nnn[n-]2)c1 ZINC000824635089 608490014 /nfs/dbraw/zinc/49/00/14/608490014.db2.gz YQXLMXKKSUGSAD-GFCCVEGCSA-N -1 3 353.430 3.148 20 0 FGADHM C[C@@H](NCc1noc(C2CCCCC2)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000824635089 608490015 /nfs/dbraw/zinc/49/00/15/608490015.db2.gz YQXLMXKKSUGSAD-GFCCVEGCSA-N -1 3 353.430 3.148 20 0 FGADHM Cc1cccc(-c2noc(CN[C@@H](C)c3cccc(-c4nnn[n-]4)c3)n2)c1 ZINC000826295546 608492739 /nfs/dbraw/zinc/49/27/39/608492739.db2.gz MBONMJIJOXDVPX-ZDUSSCGKSA-N -1 3 361.409 3.076 20 0 FGADHM Cc1cccc(-c2noc(CN[C@@H](C)c3cccc(-c4nn[n-]n4)c3)n2)c1 ZINC000826295546 608492741 /nfs/dbraw/zinc/49/27/41/608492741.db2.gz MBONMJIJOXDVPX-ZDUSSCGKSA-N -1 3 361.409 3.076 20 0 FGADHM CC(C)(C)c1nnc(CN[C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)s1 ZINC000824141967 608522507 /nfs/dbraw/zinc/52/25/07/608522507.db2.gz PNUHZMNCKRAKGG-AWEZNQCLSA-N -1 3 369.498 3.183 20 0 FGADHM c1cc2n(c1)CCN(Cc1cc(-c3nnn[n-]3)cs1)[C@@H]2c1ccccc1 ZINC000826520112 608544968 /nfs/dbraw/zinc/54/49/68/608544968.db2.gz ARIUFZBCDYZCFR-GOSISDBHSA-N -1 3 362.462 3.335 20 0 FGADHM c1cc2n(c1)CCN(Cc1cc(-c3nn[n-]n3)cs1)[C@@H]2c1ccccc1 ZINC000826520112 608544971 /nfs/dbraw/zinc/54/49/71/608544971.db2.gz ARIUFZBCDYZCFR-GOSISDBHSA-N -1 3 362.462 3.335 20 0 FGADHM CCCOc1ccc(NC(=O)CCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000825338559 608562026 /nfs/dbraw/zinc/56/20/26/608562026.db2.gz CSVXJBXXBGEYIG-UHFFFAOYSA-N -1 3 351.410 3.227 20 0 FGADHM CCCOc1ccc(NC(=O)CCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825338559 608562028 /nfs/dbraw/zinc/56/20/28/608562028.db2.gz CSVXJBXXBGEYIG-UHFFFAOYSA-N -1 3 351.410 3.227 20 0 FGADHM CC(C)=C[C@@H]1[C@@H](C(=O)Nc2nc3c(cc2-c2nnn[n-]2)CCCC3)C1(C)C ZINC000824178596 608569420 /nfs/dbraw/zinc/56/94/20/608569420.db2.gz ZBDWIIBSECLKNE-ZBFHGGJFSA-N -1 3 366.469 3.317 20 0 FGADHM CC(C)=C[C@@H]1[C@@H](C(=O)Nc2nc3c(cc2-c2nn[n-]n2)CCCC3)C1(C)C ZINC000824178596 608569421 /nfs/dbraw/zinc/56/94/21/608569421.db2.gz ZBDWIIBSECLKNE-ZBFHGGJFSA-N -1 3 366.469 3.317 20 0 FGADHM CC(C)CN(CC(F)(F)F)C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000824255335 608574483 /nfs/dbraw/zinc/57/44/83/608574483.db2.gz FPBISWJWHSFKPU-UHFFFAOYSA-N -1 3 361.755 3.181 20 0 FGADHM CC(C)CN(CC(F)(F)F)C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000824255335 608574484 /nfs/dbraw/zinc/57/44/84/608574484.db2.gz FPBISWJWHSFKPU-UHFFFAOYSA-N -1 3 361.755 3.181 20 0 FGADHM O=C(Nc1cnc2ccccc2c1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826459787 608574689 /nfs/dbraw/zinc/57/46/89/608574689.db2.gz ZIJXVZMNLGJWKE-UHFFFAOYSA-N -1 3 350.769 3.321 20 0 FGADHM O=C(Nc1cnc2ccccc2c1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826459787 608574691 /nfs/dbraw/zinc/57/46/91/608574691.db2.gz ZIJXVZMNLGJWKE-UHFFFAOYSA-N -1 3 350.769 3.321 20 0 FGADHM CCCCC[C@@H](CC)C(=O)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000825268223 608585060 /nfs/dbraw/zinc/58/50/60/608585060.db2.gz SEMSIRBTBRTTTJ-MRXNPFEDSA-N -1 3 370.501 3.122 20 0 FGADHM CCCCC[C@@H](CC)C(=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000825268223 608585062 /nfs/dbraw/zinc/58/50/62/608585062.db2.gz SEMSIRBTBRTTTJ-MRXNPFEDSA-N -1 3 370.501 3.122 20 0 FGADHM COc1ccc([C@H](C)COC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1 ZINC000826188078 608593321 /nfs/dbraw/zinc/59/33/21/608593321.db2.gz NCKALXMOOWXXLG-SNVBAGLBSA-N -1 3 374.347 3.114 20 0 FGADHM COc1ccc([C@H](C)COC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1 ZINC000826188078 608593323 /nfs/dbraw/zinc/59/33/23/608593323.db2.gz NCKALXMOOWXXLG-SNVBAGLBSA-N -1 3 374.347 3.114 20 0 FGADHM CC(C)Oc1ccc(NC(=O)N2CCC[C@H](C)[C@H]2C)cc1-c1nnn[n-]1 ZINC000824329240 608607844 /nfs/dbraw/zinc/60/78/44/608607844.db2.gz MROVOTFWHIECCE-QWHCGFSZSA-N -1 3 358.446 3.306 20 0 FGADHM CC(C)Oc1ccc(NC(=O)N2CCC[C@H](C)[C@H]2C)cc1-c1nn[n-]n1 ZINC000824329240 608607845 /nfs/dbraw/zinc/60/78/45/608607845.db2.gz MROVOTFWHIECCE-QWHCGFSZSA-N -1 3 358.446 3.306 20 0 FGADHM CC(C)Oc1ccc(NC(=O)N2CCC[C@@H](C)[C@@H]2C)cc1-c1nnn[n-]1 ZINC000824329239 608607958 /nfs/dbraw/zinc/60/79/58/608607958.db2.gz MROVOTFWHIECCE-OLZOCXBDSA-N -1 3 358.446 3.306 20 0 FGADHM CC(C)Oc1ccc(NC(=O)N2CCC[C@@H](C)[C@@H]2C)cc1-c1nn[n-]n1 ZINC000824329239 608607960 /nfs/dbraw/zinc/60/79/60/608607960.db2.gz MROVOTFWHIECCE-OLZOCXBDSA-N -1 3 358.446 3.306 20 0 FGADHM CN(Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1)CC(F)F ZINC000825980544 608636377 /nfs/dbraw/zinc/63/63/77/608636377.db2.gz DRIKQBBRWLLKOS-UHFFFAOYSA-N -1 3 359.380 3.143 20 0 FGADHM CN(Cc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1)CC(F)F ZINC000825980544 608636378 /nfs/dbraw/zinc/63/63/78/608636378.db2.gz DRIKQBBRWLLKOS-UHFFFAOYSA-N -1 3 359.380 3.143 20 0 FGADHM Fc1c(CN(Cc2ccccc2)C[C@H]2CCCO2)cccc1-c1nnn[n-]1 ZINC000826370101 608648348 /nfs/dbraw/zinc/64/83/48/608648348.db2.gz DPKDQKVTIGFZOH-QGZVFWFLSA-N -1 3 367.428 3.187 20 0 FGADHM CCn1c2ccccc2nc1[C@H]1CCCN1Cc1ccc(-c2nnn[n-]2)o1 ZINC000825787567 608660317 /nfs/dbraw/zinc/66/03/17/608660317.db2.gz HZXLUSUTIDRFPB-MRXNPFEDSA-N -1 3 363.425 3.166 20 0 FGADHM CCn1c2ccccc2nc1[C@H]1CCCN1Cc1ccc(-c2nn[n-]n2)o1 ZINC000825787567 608660320 /nfs/dbraw/zinc/66/03/20/608660320.db2.gz HZXLUSUTIDRFPB-MRXNPFEDSA-N -1 3 363.425 3.166 20 0 FGADHM Fc1c(CSc2ccc3c(c2)OCCCO3)cccc1-c1nnn[n-]1 ZINC000826370702 608669396 /nfs/dbraw/zinc/66/93/96/608669396.db2.gz DVVHNSNOCHERRR-UHFFFAOYSA-N -1 3 358.398 3.459 20 0 FGADHM Fc1c(CSc2ccc3c(c2)OCCCO3)cccc1-c1nn[n-]n1 ZINC000826370702 608669399 /nfs/dbraw/zinc/66/93/99/608669399.db2.gz DVVHNSNOCHERRR-UHFFFAOYSA-N -1 3 358.398 3.459 20 0 FGADHM COC(=O)[C@H](N[C@H](C)c1cc(C)sc1C)c1cccc(-c2nnn[n-]2)c1 ZINC000826111540 608753708 /nfs/dbraw/zinc/75/37/08/608753708.db2.gz GSNZSDOOTPNBSB-BDJLRTHQSA-N -1 3 371.466 3.110 20 0 FGADHM COC(=O)[C@H](N[C@H](C)c1cc(C)sc1C)c1cccc(-c2nn[n-]n2)c1 ZINC000826111540 608753710 /nfs/dbraw/zinc/75/37/10/608753710.db2.gz GSNZSDOOTPNBSB-BDJLRTHQSA-N -1 3 371.466 3.110 20 0 FGADHM c1ccc([C@H]2CN(c3cnccc3-c3nnn[n-]3)Cc3ccccc32)cc1 ZINC000826520815 608773063 /nfs/dbraw/zinc/77/30/63/608773063.db2.gz SBQNSJRYRUIDDB-LJQANCHMSA-N -1 3 354.417 3.414 20 0 FGADHM c1ccc([C@H]2CN(c3cnccc3-c3nn[n-]n3)Cc3ccccc32)cc1 ZINC000826520815 608773066 /nfs/dbraw/zinc/77/30/66/608773066.db2.gz SBQNSJRYRUIDDB-LJQANCHMSA-N -1 3 354.417 3.414 20 0 FGADHM C[C@@H](c1ccncc1)N(C)Cc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000824778784 608803252 /nfs/dbraw/zinc/80/32/52/608803252.db2.gz QMSZPQRDSDKAPQ-NSHDSACASA-N -1 3 360.368 3.056 20 0 FGADHM O=C(O[C@@H](c1nccs1)c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000826461809 608823221 /nfs/dbraw/zinc/82/32/21/608823221.db2.gz HFLNYOCOHPHXRF-OAHLLOKOSA-N -1 3 363.402 3.270 20 0 FGADHM O=C(O[C@@H](c1nccs1)c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000826461809 608823224 /nfs/dbraw/zinc/82/32/24/608823224.db2.gz HFLNYOCOHPHXRF-OAHLLOKOSA-N -1 3 363.402 3.270 20 0 FGADHM C[C@@H]1Cc2cc(F)ccc2[C@@H](C)N1C(=O)c1sccc1-c1nnn[n-]1 ZINC000825013808 608825357 /nfs/dbraw/zinc/82/53/57/608825357.db2.gz RWDJQGUNFIOVBQ-NXEZZACHSA-N -1 3 357.414 3.215 20 0 FGADHM C[C@@H]1Cc2cc(F)ccc2[C@@H](C)N1C(=O)c1sccc1-c1nn[n-]n1 ZINC000825013808 608825360 /nfs/dbraw/zinc/82/53/60/608825360.db2.gz RWDJQGUNFIOVBQ-NXEZZACHSA-N -1 3 357.414 3.215 20 0 FGADHM C[C@@H]1c2ccc(F)cc2C[C@H](C)N1C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000825012163 608825550 /nfs/dbraw/zinc/82/55/50/608825550.db2.gz DRVCFZVOQFRRGB-QWHCGFSZSA-N -1 3 365.412 3.083 20 0 FGADHM C[C@@H]1c2ccc(F)cc2C[C@H](C)N1C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000825012163 608825553 /nfs/dbraw/zinc/82/55/53/608825553.db2.gz DRVCFZVOQFRRGB-QWHCGFSZSA-N -1 3 365.412 3.083 20 0 FGADHM Cc1cc(C)cc(C2=CCN(C(=O)Cc3cccc(-c4nnn[n-]4)c3)CC2)c1 ZINC000826264216 608828846 /nfs/dbraw/zinc/82/88/46/608828846.db2.gz GCMYRRIYAAPDNI-UHFFFAOYSA-N -1 3 373.460 3.342 20 0 FGADHM Cc1cc(C)cc(C2=CCN(C(=O)Cc3cccc(-c4nn[n-]n4)c3)CC2)c1 ZINC000826264216 608828849 /nfs/dbraw/zinc/82/88/49/608828849.db2.gz GCMYRRIYAAPDNI-UHFFFAOYSA-N -1 3 373.460 3.342 20 0 FGADHM CCCOc1ncccc1CN[C@H](C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000825341825 609137647 /nfs/dbraw/zinc/13/76/47/609137647.db2.gz LAVZWPBQJMYESA-GFCCVEGCSA-N -1 3 356.405 3.040 20 0 FGADHM CCCOc1ncccc1CN[C@H](C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000825341825 609137649 /nfs/dbraw/zinc/13/76/49/609137649.db2.gz LAVZWPBQJMYESA-GFCCVEGCSA-N -1 3 356.405 3.040 20 0 FGADHM Cc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)nn1[C@@H](C)C1CC1 ZINC000826260290 609149239 /nfs/dbraw/zinc/14/92/39/609149239.db2.gz GQZBKISGZXOLJJ-JTQLQIEISA-N -1 3 371.832 3.248 20 0 FGADHM Cc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)nn1[C@@H](C)C1CC1 ZINC000826260290 609149241 /nfs/dbraw/zinc/14/92/41/609149241.db2.gz GQZBKISGZXOLJJ-JTQLQIEISA-N -1 3 371.832 3.248 20 0 FGADHM C[C@H](NCc1nnc(C(C)(C)C)s1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824635206 609153355 /nfs/dbraw/zinc/15/33/55/609153355.db2.gz ZOLXSGKMNGDBNZ-VIFPVBQESA-N -1 3 361.450 3.006 20 0 FGADHM C[C@H](NCc1nnc(C(C)(C)C)s1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824635206 609153357 /nfs/dbraw/zinc/15/33/57/609153357.db2.gz ZOLXSGKMNGDBNZ-VIFPVBQESA-N -1 3 361.450 3.006 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)Cc1ccccc1SC ZINC000825609484 609155924 /nfs/dbraw/zinc/15/59/24/609155924.db2.gz NMWVQDSIXGDYLJ-UHFFFAOYSA-N -1 3 370.434 3.135 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)Cc1ccccc1SC ZINC000825609484 609155926 /nfs/dbraw/zinc/15/59/26/609155926.db2.gz NMWVQDSIXGDYLJ-UHFFFAOYSA-N -1 3 370.434 3.135 20 0 FGADHM COCCOc1cc(C)ccc1N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826160729 609157791 /nfs/dbraw/zinc/15/77/91/609157791.db2.gz CYFBEXHAEXDLGA-AWEZNQCLSA-N -1 3 353.426 3.373 20 0 FGADHM COCCOc1cc(C)ccc1N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826160729 609157793 /nfs/dbraw/zinc/15/77/93/609157793.db2.gz CYFBEXHAEXDLGA-AWEZNQCLSA-N -1 3 353.426 3.373 20 0 FGADHM CC(C)C[C@@H]1C[C@H](Nc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)CCO1 ZINC000824245305 609171138 /nfs/dbraw/zinc/17/11/38/609171138.db2.gz XQWFYHPTQSGKKI-GHMZBOCLSA-N -1 3 370.379 3.286 20 0 FGADHM CC(C)C[C@@H]1C[C@H](Nc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)CCO1 ZINC000824245305 609171140 /nfs/dbraw/zinc/17/11/40/609171140.db2.gz XQWFYHPTQSGKKI-GHMZBOCLSA-N -1 3 370.379 3.286 20 0 FGADHM c1sc(CN[C@@H]2CCCc3cn(C4CCCC4)nc32)cc1-c1nnn[n-]1 ZINC000826527017 609172884 /nfs/dbraw/zinc/17/28/84/609172884.db2.gz VWYQQEOJYCXOIF-MRXNPFEDSA-N -1 3 369.498 3.407 20 0 FGADHM c1sc(CN[C@@H]2CCCc3cn(C4CCCC4)nc32)cc1-c1nn[n-]n1 ZINC000826527017 609172886 /nfs/dbraw/zinc/17/28/86/609172886.db2.gz VWYQQEOJYCXOIF-MRXNPFEDSA-N -1 3 369.498 3.407 20 0 FGADHM CCNc1ccc(-c2nn[n-]n2)cc1NCCCOCCc1ccccc1 ZINC000825480840 609177910 /nfs/dbraw/zinc/17/79/10/609177910.db2.gz NCVPCDPZCKHBMY-UHFFFAOYSA-N -1 3 366.469 3.360 20 0 FGADHM CCCN(Cc1c(F)cccc1Cl)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000825313433 609203926 /nfs/dbraw/zinc/20/39/26/609203926.db2.gz FRKFBFOQCMARGI-UHFFFAOYSA-N -1 3 362.796 3.040 20 0 FGADHM CCCN(Cc1c(F)cccc1Cl)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000825313433 609203928 /nfs/dbraw/zinc/20/39/28/609203928.db2.gz FRKFBFOQCMARGI-UHFFFAOYSA-N -1 3 362.796 3.040 20 0 FGADHM CC(C)CCc1ccccc1NC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824249009 609214554 /nfs/dbraw/zinc/21/45/54/609214554.db2.gz GPEPDEXFSFYKGW-SFHVURJKSA-N -1 3 365.437 3.127 20 0 FGADHM CC(C)CCc1ccccc1NC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824249009 609214556 /nfs/dbraw/zinc/21/45/56/609214556.db2.gz GPEPDEXFSFYKGW-SFHVURJKSA-N -1 3 365.437 3.127 20 0 FGADHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N1CCCCC[C@@H]1/C=C/c1ccccc1 ZINC000826469624 609224424 /nfs/dbraw/zinc/22/44/24/609224424.db2.gz MSBRMGFYSZBBKD-SXSDINLZSA-N -1 3 362.437 3.293 20 0 FGADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1CCCCC[C@@H]1/C=C/c1ccccc1 ZINC000826469624 609224426 /nfs/dbraw/zinc/22/44/26/609224426.db2.gz MSBRMGFYSZBBKD-SXSDINLZSA-N -1 3 362.437 3.293 20 0 FGADHM Cc1cc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2)nn1-c1ccc(C)cc1 ZINC000826281176 609244952 /nfs/dbraw/zinc/24/49/52/609244952.db2.gz HKVOJNWTCBPTRS-UHFFFAOYSA-N -1 3 374.404 3.026 20 0 FGADHM Cc1cc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2)nn1-c1ccc(C)cc1 ZINC000826281176 609244954 /nfs/dbraw/zinc/24/49/54/609244954.db2.gz HKVOJNWTCBPTRS-UHFFFAOYSA-N -1 3 374.404 3.026 20 0 FGADHM C[C@@H](Nc1ccccc1O[C@@H]1CCOC1)c1cccc(-c2nnn[n-]2)c1 ZINC000824662514 609245418 /nfs/dbraw/zinc/24/54/18/609245418.db2.gz MAHBGGPXTQUYNG-CZUORRHYSA-N -1 3 351.410 3.208 20 0 FGADHM C[C@@H](Nc1ccccc1O[C@@H]1CCOC1)c1cccc(-c2nn[n-]n2)c1 ZINC000824662514 609245419 /nfs/dbraw/zinc/24/54/19/609245419.db2.gz MAHBGGPXTQUYNG-CZUORRHYSA-N -1 3 351.410 3.208 20 0 FGADHM CCOC(=O)CN(Cc1ccc(-c2nnn[n-]2)s1)[C@@H](C)c1ccccc1 ZINC000825517784 609261295 /nfs/dbraw/zinc/26/12/95/609261295.db2.gz MKEKQIPNSGIIQR-ZDUSSCGKSA-N -1 3 371.466 3.055 20 0 FGADHM Fc1cc(-c2nnn[n-]2)ccc1CNc1ccc(Oc2cccnc2)nc1 ZINC000826371669 609268388 /nfs/dbraw/zinc/26/83/88/609268388.db2.gz PEMFXPCULPYTDT-UHFFFAOYSA-N -1 3 363.356 3.200 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1CNc1ccc(Oc2cccnc2)nc1 ZINC000826371669 609268389 /nfs/dbraw/zinc/26/83/89/609268389.db2.gz PEMFXPCULPYTDT-UHFFFAOYSA-N -1 3 363.356 3.200 20 0 FGADHM CCN(C(=O)CCc1ccc(O)cc1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825371040 609268655 /nfs/dbraw/zinc/26/86/55/609268655.db2.gz AWEBAUWCEIQEOJ-CQSZACIVSA-N -1 3 365.437 3.115 20 0 FGADHM CCN(C(=O)CCc1ccc(O)cc1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825371040 609268656 /nfs/dbraw/zinc/26/86/56/609268656.db2.gz AWEBAUWCEIQEOJ-CQSZACIVSA-N -1 3 365.437 3.115 20 0 FGADHM O=C(NC1CCC(C(F)(F)F)CC1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826428589 609287109 /nfs/dbraw/zinc/28/71/09/609287109.db2.gz GGPKRIDHJMPGDQ-UHFFFAOYSA-N -1 3 373.766 3.371 20 0 FGADHM O=C(NC1CCC(C(F)(F)F)CC1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826428589 609287111 /nfs/dbraw/zinc/28/71/11/609287111.db2.gz GGPKRIDHJMPGDQ-UHFFFAOYSA-N -1 3 373.766 3.371 20 0 FGADHM CC(C)CSCCCNC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000824274884 609292775 /nfs/dbraw/zinc/29/27/75/609292775.db2.gz MIXVLHXXJULPBV-UHFFFAOYSA-N -1 3 353.879 3.029 20 0 FGADHM CC(C)CSCCCNC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000824274884 609292776 /nfs/dbraw/zinc/29/27/76/609292776.db2.gz MIXVLHXXJULPBV-UHFFFAOYSA-N -1 3 353.879 3.029 20 0 FGADHM COc1cccc(CCCSc2nnc(C)c(C)c2-c2nnn[n-]2)c1 ZINC000826216206 609308178 /nfs/dbraw/zinc/30/81/78/609308178.db2.gz OPSPLYJDBUNWPO-UHFFFAOYSA-N -1 3 356.455 3.007 20 0 FGADHM COc1cccc(CCCSc2nnc(C)c(C)c2-c2nn[n-]n2)c1 ZINC000826216206 609308179 /nfs/dbraw/zinc/30/81/79/609308179.db2.gz OPSPLYJDBUNWPO-UHFFFAOYSA-N -1 3 356.455 3.007 20 0 FGADHM CC(C)(C)OC(=O)N1CCC(Sc2ccccc2-c2nnn[n-]2)CC1 ZINC000824104365 609310131 /nfs/dbraw/zinc/31/01/31/609310131.db2.gz QELIGHHYIAUOKI-UHFFFAOYSA-N -1 3 361.471 3.358 20 0 FGADHM CC(C)(C)OC(=O)N1CCC(Sc2ccccc2-c2nn[n-]n2)CC1 ZINC000824104365 609310133 /nfs/dbraw/zinc/31/01/33/609310133.db2.gz QELIGHHYIAUOKI-UHFFFAOYSA-N -1 3 361.471 3.358 20 0 FGADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OCc1ccc2c(c1)COC2 ZINC000826167579 609325749 /nfs/dbraw/zinc/32/57/49/609325749.db2.gz KALPYBCGFPWTSD-UHFFFAOYSA-N -1 3 358.785 3.138 20 0 FGADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OCc1ccc2c(c1)COC2 ZINC000826167579 609325751 /nfs/dbraw/zinc/32/57/51/609325751.db2.gz KALPYBCGFPWTSD-UHFFFAOYSA-N -1 3 358.785 3.138 20 0 FGADHM CCc1cc(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)ccc1C ZINC000825700322 609331227 /nfs/dbraw/zinc/33/12/27/609331227.db2.gz ASBBEZYHBXRTCZ-UHFFFAOYSA-N -1 3 353.451 3.468 20 0 FGADHM CCc1cc(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)ccc1C ZINC000825700322 609331229 /nfs/dbraw/zinc/33/12/29/609331229.db2.gz ASBBEZYHBXRTCZ-UHFFFAOYSA-N -1 3 353.451 3.468 20 0 FGADHM CCc1cc(NC(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)ccc1C ZINC000825700457 609331252 /nfs/dbraw/zinc/33/12/52/609331252.db2.gz GJCUTNYWGUBJMR-CYBMUJFWSA-N -1 3 351.410 3.144 20 0 FGADHM C[C@@H](N[C@@H]1COc2ccc(Cl)cc21)c1ccc(-c2nnn[n-]2)cc1F ZINC000824554496 609343977 /nfs/dbraw/zinc/34/39/77/609343977.db2.gz PSMJQZAHJPEMRS-RFAUZJTJSA-N -1 3 359.792 3.444 20 0 FGADHM C[C@@H](N[C@@H]1COc2ccc(Cl)cc21)c1ccc(-c2nn[n-]n2)cc1F ZINC000824554496 609343978 /nfs/dbraw/zinc/34/39/78/609343978.db2.gz PSMJQZAHJPEMRS-RFAUZJTJSA-N -1 3 359.792 3.444 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C[C@@H]1CCO[C@@H](CC)C1 ZINC000825318094 609375491 /nfs/dbraw/zinc/37/54/91/609375491.db2.gz IPESZQRTGRVNAI-AEFFLSMTSA-N -1 3 371.485 3.201 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C[C@@H]1CCO[C@@H](CC)C1 ZINC000825318094 609375495 /nfs/dbraw/zinc/37/54/95/609375495.db2.gz IPESZQRTGRVNAI-AEFFLSMTSA-N -1 3 371.485 3.201 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000825620637 609403953 /nfs/dbraw/zinc/40/39/53/609403953.db2.gz FSPGKIWBAYZBBY-BFUOFWGJSA-N -1 3 370.457 3.309 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000825620637 609403955 /nfs/dbraw/zinc/40/39/55/609403955.db2.gz FSPGKIWBAYZBBY-BFUOFWGJSA-N -1 3 370.457 3.309 20 0 FGADHM CC(C)[C@H](NC(=O)c1ccc(-c2nnn[n-]2)cn1)c1ccc(Cl)cc1F ZINC000824199992 609407101 /nfs/dbraw/zinc/40/71/01/609407101.db2.gz NQSMDFQOWXECGS-HNNXBMFYSA-N -1 3 374.807 3.181 20 0 FGADHM CC(C)[C@H](NC(=O)c1ccc(-c2nn[n-]n2)cn1)c1ccc(Cl)cc1F ZINC000824199992 609407103 /nfs/dbraw/zinc/40/71/03/609407103.db2.gz NQSMDFQOWXECGS-HNNXBMFYSA-N -1 3 374.807 3.181 20 0 FGADHM O=C(NC1CCC(c2ccc(F)cc2)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826429831 609408867 /nfs/dbraw/zinc/40/88/67/609408867.db2.gz NZFLDYOLFBWUAM-UHFFFAOYSA-N -1 3 365.412 3.462 20 0 FGADHM O=C(NC1CCC(c2ccc(F)cc2)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826429831 609408868 /nfs/dbraw/zinc/40/88/68/609408868.db2.gz NZFLDYOLFBWUAM-UHFFFAOYSA-N -1 3 365.412 3.462 20 0 FGADHM O=C1[C@H](Nc2ccc(Cl)cc2)CCCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000826478141 609412319 /nfs/dbraw/zinc/41/23/19/609412319.db2.gz VDPAIDHDSJEGOA-MRXNPFEDSA-N -1 3 368.828 3.128 20 0 FGADHM O=C1[C@H](Nc2ccc(Cl)cc2)CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826478141 609412320 /nfs/dbraw/zinc/41/23/20/609412320.db2.gz VDPAIDHDSJEGOA-MRXNPFEDSA-N -1 3 368.828 3.128 20 0 FGADHM O=C1[C@H](Sc2ccccc2)CCCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000826478286 609413985 /nfs/dbraw/zinc/41/39/85/609413985.db2.gz YJPYHWJOQHQZON-MRXNPFEDSA-N -1 3 351.435 3.154 20 0 FGADHM O=C1[C@H](Sc2ccccc2)CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826478286 609413986 /nfs/dbraw/zinc/41/39/86/609413986.db2.gz YJPYHWJOQHQZON-MRXNPFEDSA-N -1 3 351.435 3.154 20 0 FGADHM O=C1[C@@H](SC2CCCCC2)CCCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000826477502 609415691 /nfs/dbraw/zinc/41/56/91/609415691.db2.gz FHTDERKXVXASNW-INIZCTEOSA-N -1 3 357.483 3.428 20 0 FGADHM O=C1[C@@H](SC2CCCCC2)CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826477502 609415694 /nfs/dbraw/zinc/41/56/94/609415694.db2.gz FHTDERKXVXASNW-INIZCTEOSA-N -1 3 357.483 3.428 20 0 FGADHM CC(=O)c1ccc(-c2nnn[n-]2)cc1N1CCC(c2ccc(O)cc2)CC1 ZINC000824019631 609420250 /nfs/dbraw/zinc/42/02/50/609420250.db2.gz IZQGLHLOYBLGME-UHFFFAOYSA-N -1 3 363.421 3.159 20 0 FGADHM CC(=O)c1ccc(-c2nn[n-]n2)cc1N1CCC(c2ccc(O)cc2)CC1 ZINC000824019631 609420252 /nfs/dbraw/zinc/42/02/52/609420252.db2.gz IZQGLHLOYBLGME-UHFFFAOYSA-N -1 3 363.421 3.159 20 0 FGADHM CC(=O)c1ccc(-c2nnn[n-]2)cc1NCc1coc(-c2cccs2)n1 ZINC000824020029 609422541 /nfs/dbraw/zinc/42/25/41/609422541.db2.gz ZKXBJTFCBVXLCE-UHFFFAOYSA-N -1 3 366.406 3.398 20 0 FGADHM CC(=O)c1ccc(-c2nn[n-]n2)cc1NCc1coc(-c2cccs2)n1 ZINC000824020029 609422543 /nfs/dbraw/zinc/42/25/43/609422543.db2.gz ZKXBJTFCBVXLCE-UHFFFAOYSA-N -1 3 366.406 3.398 20 0 FGADHM CC(C)N(CCCSc1cc(-c2nnn[n-]2)ccn1)CC(F)(F)F ZINC000824288719 609434673 /nfs/dbraw/zinc/43/46/73/609434673.db2.gz LBJBNSOHOZVUBZ-UHFFFAOYSA-N -1 3 360.409 3.017 20 0 FGADHM CC(C)N(CCCSc1cc(-c2nn[n-]n2)ccn1)CC(F)(F)F ZINC000824288719 609434674 /nfs/dbraw/zinc/43/46/74/609434674.db2.gz LBJBNSOHOZVUBZ-UHFFFAOYSA-N -1 3 360.409 3.017 20 0 FGADHM CCc1ccc(-c2csc(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)n2)cc1 ZINC000825700630 609458579 /nfs/dbraw/zinc/45/85/79/609458579.db2.gz NAXMVJXCMGSWJI-UHFFFAOYSA-N -1 3 365.422 3.133 20 0 FGADHM CCc1ccc(-c2csc(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)n2)cc1 ZINC000825700630 609458581 /nfs/dbraw/zinc/45/85/81/609458581.db2.gz NAXMVJXCMGSWJI-UHFFFAOYSA-N -1 3 365.422 3.133 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NCc1ncccc1C(F)(F)F ZINC000825631846 609476537 /nfs/dbraw/zinc/47/65/37/609476537.db2.gz HBJVWYBOEQDFTR-UHFFFAOYSA-N -1 3 364.331 3.291 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NCc1ncccc1C(F)(F)F ZINC000825631846 609476539 /nfs/dbraw/zinc/47/65/39/609476539.db2.gz HBJVWYBOEQDFTR-UHFFFAOYSA-N -1 3 364.331 3.291 20 0 FGADHM CCOc1c(OC)cc(CNc2cc(-c3nnn[n-]3)ccc2C)cc1OC ZINC000825605198 609480546 /nfs/dbraw/zinc/48/05/46/609480546.db2.gz RGCCRJMQVQPGOW-UHFFFAOYSA-N -1 3 369.425 3.203 20 0 FGADHM CCOc1c(OC)cc(CNc2cc(-c3nn[n-]n3)ccc2C)cc1OC ZINC000825605198 609480548 /nfs/dbraw/zinc/48/05/48/609480548.db2.gz RGCCRJMQVQPGOW-UHFFFAOYSA-N -1 3 369.425 3.203 20 0 FGADHM Cc1nn2c(CNc3cccc(-c4nnn[n-]4)c3C)c(C(C)C)nc2s1 ZINC000826334819 609487650 /nfs/dbraw/zinc/48/76/50/609487650.db2.gz KYOGARVNZKFSMI-UHFFFAOYSA-N -1 3 368.470 3.323 20 0 FGADHM Cc1nn2c(CNc3cccc(-c4nn[n-]n4)c3C)c(C(C)C)nc2s1 ZINC000826334819 609487653 /nfs/dbraw/zinc/48/76/53/609487653.db2.gz KYOGARVNZKFSMI-UHFFFAOYSA-N -1 3 368.470 3.323 20 0 FGADHM CCOC(=O)Nc1ccc(N[C@@H]2CCO[C@H](C(C)C)C2)cc1-c1nnn[n-]1 ZINC000825552742 609487754 /nfs/dbraw/zinc/48/77/54/609487754.db2.gz DHSBWUPIRTYBRP-CJNGLKHVSA-N -1 3 374.445 3.051 20 0 FGADHM CCOC(=O)Nc1ccc(N[C@@H]2CCO[C@H](C(C)C)C2)cc1-c1nn[n-]n1 ZINC000825552742 609487756 /nfs/dbraw/zinc/48/77/56/609487756.db2.gz DHSBWUPIRTYBRP-CJNGLKHVSA-N -1 3 374.445 3.051 20 0 FGADHM CCOC(=O)Nc1ccc(NCc2cnc(CC)s2)cc1-c1nnn[n-]1 ZINC000825552678 609487837 /nfs/dbraw/zinc/48/78/37/609487837.db2.gz CYHRBOBIZCLORR-UHFFFAOYSA-N -1 3 373.442 3.066 20 0 FGADHM CCOC(=O)Nc1ccc(NCc2cnc(CC)s2)cc1-c1nn[n-]n1 ZINC000825552678 609487839 /nfs/dbraw/zinc/48/78/39/609487839.db2.gz CYHRBOBIZCLORR-UHFFFAOYSA-N -1 3 373.442 3.066 20 0 FGADHM CCOC(=O)Nc1ccc(NCc2cc(C)oc2C)cc1-c1nnn[n-]1 ZINC000825553545 609488303 /nfs/dbraw/zinc/48/83/03/609488303.db2.gz SZOJELJLHRHIMG-UHFFFAOYSA-N -1 3 356.386 3.257 20 0 FGADHM CCOC(=O)Nc1ccc(NCc2cc(C)oc2C)cc1-c1nn[n-]n1 ZINC000825553545 609488305 /nfs/dbraw/zinc/48/83/05/609488305.db2.gz SZOJELJLHRHIMG-UHFFFAOYSA-N -1 3 356.386 3.257 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1CSc1nc2nc(C)ccc2o1 ZINC000826184535 609490287 /nfs/dbraw/zinc/49/02/87/609490287.db2.gz APZDWVKWWRHFMS-UHFFFAOYSA-N -1 3 354.395 3.012 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1CSc1nc2nc(C)ccc2o1 ZINC000826184535 609490290 /nfs/dbraw/zinc/49/02/90/609490290.db2.gz APZDWVKWWRHFMS-UHFFFAOYSA-N -1 3 354.395 3.012 20 0 FGADHM CC(C)Oc1ccc(NC(=O)[C@H](C)c2ccccc2)cc1-c1nnn[n-]1 ZINC000824328855 609509375 /nfs/dbraw/zinc/50/93/75/609509375.db2.gz CGDIFBGRKUBENK-CYBMUJFWSA-N -1 3 351.410 3.396 20 0 FGADHM CC(C)Oc1ccc(NC(=O)[C@H](C)c2ccccc2)cc1-c1nn[n-]n1 ZINC000824328855 609509377 /nfs/dbraw/zinc/50/93/77/609509377.db2.gz CGDIFBGRKUBENK-CYBMUJFWSA-N -1 3 351.410 3.396 20 0 FGADHM C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000824910935 609509785 /nfs/dbraw/zinc/50/97/85/609509785.db2.gz ZICANCRAGFPQEY-ZJUUUORDSA-N -1 3 370.404 3.226 20 0 FGADHM C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000824910935 609509788 /nfs/dbraw/zinc/50/97/88/609509788.db2.gz ZICANCRAGFPQEY-ZJUUUORDSA-N -1 3 370.404 3.226 20 0 FGADHM CSc1c(F)cc(NC(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1F ZINC000826229334 609517438 /nfs/dbraw/zinc/51/74/38/609517438.db2.gz ALGCSHQIVMMFFE-UHFFFAOYSA-N -1 3 361.377 3.048 20 0 FGADHM CSc1c(F)cc(NC(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1F ZINC000826229334 609517440 /nfs/dbraw/zinc/51/74/40/609517440.db2.gz ALGCSHQIVMMFFE-UHFFFAOYSA-N -1 3 361.377 3.048 20 0 FGADHM Cc1ccnc(N[C@H](c2ccc3c(c2)OCCO3)C(C)C)c1-c1nnn[n-]1 ZINC000826311905 609523092 /nfs/dbraw/zinc/52/30/92/609523092.db2.gz QLWUPBLLTAGZBN-KRWDZBQOSA-N -1 3 366.425 3.151 20 0 FGADHM Cc1ccnc(N[C@H](c2ccc3c(c2)OCCO3)C(C)C)c1-c1nn[n-]n1 ZINC000826311905 609523095 /nfs/dbraw/zinc/52/30/95/609523095.db2.gz QLWUPBLLTAGZBN-KRWDZBQOSA-N -1 3 366.425 3.151 20 0 FGADHM Cc1c(Cl)cnc(NCc2ccc(-n3cccn3)cc2)c1-c1nnn[n-]1 ZINC000826240222 609534949 /nfs/dbraw/zinc/53/49/49/609534949.db2.gz JBSUZDGORCWJOF-UHFFFAOYSA-N -1 3 366.816 3.021 20 0 FGADHM Cc1c(Cl)cnc(NCc2ccc(-n3cccn3)cc2)c1-c1nn[n-]n1 ZINC000826240222 609534951 /nfs/dbraw/zinc/53/49/51/609534951.db2.gz JBSUZDGORCWJOF-UHFFFAOYSA-N -1 3 366.816 3.021 20 0 FGADHM COc1ccc2c(c1)OCC[C@H]2Nc1ncc(Cl)c(C)c1-c1nnn[n-]1 ZINC000826212845 609559303 /nfs/dbraw/zinc/55/93/03/609559303.db2.gz CTVKLQHUMRXNEJ-CYBMUJFWSA-N -1 3 372.816 3.168 20 0 FGADHM COc1ccc2c(c1)OCC[C@H]2Nc1ncc(Cl)c(C)c1-c1nn[n-]n1 ZINC000826212845 609559305 /nfs/dbraw/zinc/55/93/05/609559305.db2.gz CTVKLQHUMRXNEJ-CYBMUJFWSA-N -1 3 372.816 3.168 20 0 FGADHM Cc1c(Cl)cnc(N[C@@H](C)C[C@@H](O)c2ccccc2)c1-c1nnn[n-]1 ZINC000826239163 609575411 /nfs/dbraw/zinc/57/54/11/609575411.db2.gz ZDBRVNOQYSJWEQ-IINYFYTJSA-N -1 3 358.833 3.148 20 0 FGADHM Cc1c(Cl)cnc(N[C@@H](C)C[C@@H](O)c2ccccc2)c1-c1nn[n-]n1 ZINC000826239163 609575413 /nfs/dbraw/zinc/57/54/13/609575413.db2.gz ZDBRVNOQYSJWEQ-IINYFYTJSA-N -1 3 358.833 3.148 20 0 FGADHM COc1cccc([C@H]2C[C@H](C)CN2c2nccc(C)c2-c2nnn[n-]2)c1 ZINC000826215299 609593135 /nfs/dbraw/zinc/59/31/35/609593135.db2.gz LEWUVLBYZUTKRR-BLLLJJGKSA-N -1 3 350.426 3.166 20 0 FGADHM COc1cccc([C@H]2C[C@H](C)CN2c2nccc(C)c2-c2nn[n-]n2)c1 ZINC000826215299 609593136 /nfs/dbraw/zinc/59/31/36/609593136.db2.gz LEWUVLBYZUTKRR-BLLLJJGKSA-N -1 3 350.426 3.166 20 0 FGADHM C[C@H]1CCCC[C@H]1OCC(=O)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000824937630 609614223 /nfs/dbraw/zinc/61/42/23/609614223.db2.gz QECBLMRGWPGWNL-XHDPSFHLSA-N -1 3 364.833 3.159 20 0 FGADHM C[C@H]1CCCC[C@H]1OCC(=O)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000824937630 609614224 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O=C(COC(=O)c1cc(Cl)c(Cl)[n-]1)N1CCCc2ccccc21 ZINC000011808870 695602515 /nfs/dbraw/zinc/60/25/15/695602515.db2.gz SRJQFUHEHUOARH-UHFFFAOYSA-N -1 3 353.205 3.458 20 0 FGADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3ccc(F)cc3N)nc(=O)c2c1C ZINC000018750024 695638562 /nfs/dbraw/zinc/63/85/62/695638562.db2.gz CYPYNXBWXURQQE-QMMMGPOBSA-N -1 3 361.398 3.241 20 0 FGADHM Cc1cccc(C)c1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000024559661 695668647 /nfs/dbraw/zinc/66/86/47/695668647.db2.gz SDEXPTUUXALCNB-UHFFFAOYSA-N -1 3 362.426 3.136 20 0 FGADHM CONC(=O)c1ccc(C)c([N-]S(=O)(=O)c2c(C)cc(C)cc2C)c1 ZINC000025825628 695678374 /nfs/dbraw/zinc/67/83/74/695678374.db2.gz GEAMXDCNADZEAZ-UHFFFAOYSA-N -1 3 362.451 3.012 20 0 FGADHM CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000027705828 695696233 /nfs/dbraw/zinc/69/62/33/695696233.db2.gz GICUUNMABBXZEB-CJNGLKHVSA-N -1 3 370.490 3.211 20 0 FGADHM CN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)C1CCCCC1 ZINC000029785970 695716541 /nfs/dbraw/zinc/71/65/41/695716541.db2.gz SJBNOHGENSISQC-UHFFFAOYSA-N -1 3 370.490 3.307 20 0 FGADHM O=S(=O)([N-]CCc1cccc2cccnc21)c1ccc(Cl)s1 ZINC000030442821 695723485 /nfs/dbraw/zinc/72/34/85/695723485.db2.gz NUCUBISAPTVJRN-UHFFFAOYSA-N -1 3 352.868 3.471 20 0 FGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)NCCCC2CCCC2)ccc1F ZINC000031636570 695737869 /nfs/dbraw/zinc/73/78/69/695737869.db2.gz AHUSCKQHBAUDGF-UHFFFAOYSA-N -1 3 370.490 3.213 20 0 FGADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2Cl)c(F)c1 ZINC000032081621 695741753 /nfs/dbraw/zinc/74/17/53/695741753.db2.gz ZTKNLKSMFPNEPB-UHFFFAOYSA-N -1 3 360.769 3.377 20 0 FGADHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]C[C@H]1C[C@@H]1C ZINC000032474214 695745724 /nfs/dbraw/zinc/74/57/24/695745724.db2.gz IRKRERCMPDQJMG-JGVFFNPUSA-N -1 3 368.680 3.045 20 0 FGADHM O=C(COC(=O)c1cc(Cl)nc2ccccc21)[N-]C(=O)c1cccs1 ZINC000032867162 695748343 /nfs/dbraw/zinc/74/83/43/695748343.db2.gz FTMWYZDYYJGSBM-UHFFFAOYSA-N -1 3 374.805 3.063 20 0 FGADHM CC[C@@H]([N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])c1ccccc1OC ZINC000046036162 695830641 /nfs/dbraw/zinc/83/06/41/695830641.db2.gz UAYXBVXJUJXERX-CQSZACIVSA-N -1 3 364.423 3.341 20 0 FGADHM COc1cc(C)c(S(=O)(=O)[N-]c2cc(OC)c(OC)cc2C)c(C)c1 ZINC000047454299 695860070 /nfs/dbraw/zinc/86/00/70/695860070.db2.gz QQLRPORFCPJPFE-UHFFFAOYSA-N -1 3 365.451 3.438 20 0 FGADHM O=C([N-]Cc1ccnc(OCC(F)(F)F)c1)C(F)(F)c1ccccc1 ZINC000053051463 695926631 /nfs/dbraw/zinc/92/66/31/695926631.db2.gz DDFGZBCNXJYASM-UHFFFAOYSA-N -1 3 360.282 3.431 20 0 FGADHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(NC(C)=O)c2C)c(C)c1 ZINC000073743780 695972425 /nfs/dbraw/zinc/97/24/25/695972425.db2.gz GIEPQVBSSLDTRF-UHFFFAOYSA-N -1 3 362.451 3.380 20 0 FGADHM CCCCCN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)C(C)C ZINC000076018772 700221842 /nfs/dbraw/zinc/22/18/42/700221842.db2.gz VFDADKOKXISGGC-UHFFFAOYSA-N -1 3 370.490 3.307 20 0 FGADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]Cc1csc2ccccc12 ZINC000075788755 700218747 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CCO[C@H](C)c1nc(CO[N-]C(=O)CCOc2ccccc2)cs1 ZINC000120063912 700647138 /nfs/dbraw/zinc/64/71/38/700647138.db2.gz FNIDQAVHFUEVEV-CYBMUJFWSA-N -1 3 350.440 3.258 20 0 FGADHM CSCC[C@@H](C)NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000120464971 700655108 /nfs/dbraw/zinc/65/51/08/700655108.db2.gz GLHIAWVBVLTIFZ-SECBINFHSA-N -1 3 369.284 3.162 20 0 FGADHM O=S(=O)([N-]C[C@H](O)c1ccccc1Cl)c1ccc(Cl)s1 ZINC000120886387 700661712 /nfs/dbraw/zinc/66/17/12/700661712.db2.gz WMLDKBDLPHUHNV-JTQLQIEISA-N -1 3 352.264 3.067 20 0 FGADHM O=S(=O)([N-]C[C@H](O)c1ccccc1Cl)c1cc(F)ccc1Cl ZINC000120929960 700662749 /nfs/dbraw/zinc/66/27/49/700662749.db2.gz ADKBECYUISVQAD-ZDUSSCGKSA-N -1 3 364.225 3.144 20 0 FGADHM Cc1cc(S(=O)(=O)[N-][C@H](C)C[C@@H](O)c2ccc(F)cc2)c(F)cc1F ZINC000123807524 700710077 /nfs/dbraw/zinc/71/00/77/700710077.db2.gz UKMPTDNPWORRCF-BDJLRTHQSA-N -1 3 373.396 3.203 20 0 FGADHM C[C@@H]([N-]C(=O)C(F)(F)C1(O)CCC1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000123899111 700711581 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705480206 /nfs/dbraw/zinc/48/02/06/705480206.db2.gz FBERVUILUDJNED-LLVKDONJSA-N -1 3 361.250 3.054 20 0 FGADHM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc(N2CCOC[C@@H]2C)cc1 ZINC000174728006 705516251 /nfs/dbraw/zinc/51/62/51/705516251.db2.gz VJNOILJDJNNCEM-ZDUSSCGKSA-N -1 3 364.442 3.160 20 0 FGADHM O=S(=O)([N-]C[C@@H](O)c1ccsc1)c1c(Cl)cccc1Cl ZINC000182469047 705845298 /nfs/dbraw/zinc/84/52/98/705845298.db2.gz VVGRTBHYDLNGEP-LLVKDONJSA-N -1 3 352.264 3.067 20 0 FGADHM Cc1ccc(C(=O)NNC(=O)Nc2cccc(Cl)c2Cl)c([O-])c1 ZINC000182756897 705859696 /nfs/dbraw/zinc/85/96/96/705859696.db2.gz JSDIIUKQUKRUQN-UHFFFAOYSA-N -1 3 354.193 3.474 20 0 FGADHM CON(Cc1ccccc1)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000184287564 705927922 /nfs/dbraw/zinc/92/79/22/705927922.db2.gz JRDYFKHVUIWTNU-UHFFFAOYSA-N -1 3 365.227 3.428 20 0 FGADHM Cc1sc(Br)cc1S(=O)(=O)[N-][C@H]1CCCC1(F)F ZINC000398393087 713991966 /nfs/dbraw/zinc/99/19/66/713991966.db2.gz XMYGAFWZTBCBTA-QMMMGPOBSA-N -1 3 360.245 3.285 20 0 FGADHM O=C(NNC(=O)c1ccc(Cl)cc1C(F)(F)F)c1ccccc1[O-] ZINC000184434458 712672095 /nfs/dbraw/zinc/67/20/95/712672095.db2.gz YQFIWTWVVOLJHX-UHFFFAOYSA-N -1 3 358.703 3.139 20 0 FGADHM COc1cc[n-]c(=NNC(=O)C(C)=Cc2c(Cl)cccc2Cl)n1 ZINC000184766805 712676122 /nfs/dbraw/zinc/67/61/22/712676122.db2.gz OVGXUMOMBGLFJG-CMDGGOBGSA-N -1 3 353.209 3.339 20 0 FGADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H](C)CSc1ccc(C)cc1 ZINC000185223849 712688792 /nfs/dbraw/zinc/68/87/92/712688792.db2.gz WAJQQHABGPFFFA-LLVKDONJSA-N -1 3 373.931 3.149 20 0 FGADHM COc1ccc(CCNC(=O)/C(C#N)=C\c2ccc([O-])cc2)c(Cl)c1 ZINC000185848957 712703537 /nfs/dbraw/zinc/70/35/37/712703537.db2.gz GJTUVHAZDVOHRP-GDNBJRDFSA-N -1 3 356.809 3.320 20 0 FGADHM Cc1cccnc1C(=O)[N-]NC(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000186230585 712712724 /nfs/dbraw/zinc/71/27/24/712712724.db2.gz PRGJWQYGFIGPKJ-UHFFFAOYSA-N -1 3 357.719 3.137 20 0 FGADHM CCC1(CC)CN(Cc2cc(Br)ccc2[O-])CC[S@]1=O ZINC000187554258 712746074 /nfs/dbraw/zinc/74/60/74/712746074.db2.gz 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/nfs/dbraw/zinc/55/71/13/713557113.db2.gz YPPKEHYVDAXCNZ-UHFFFAOYSA-N -1 3 360.171 3.007 20 0 FGADHM O=C(Nc1ccc(Oc2cccc(Br)c2)nc1)c1cn[n-]n1 ZINC000195460853 713557115 /nfs/dbraw/zinc/55/71/15/713557115.db2.gz YPPKEHYVDAXCNZ-UHFFFAOYSA-N -1 3 360.171 3.007 20 0 FGADHM CCS(=O)(=O)c1ccc([N-]S(=O)(=O)/C=C\c2ccc(F)cc2)cc1 ZINC000255296373 713689903 /nfs/dbraw/zinc/68/99/03/713689903.db2.gz QCDJTOARXBEMMG-QXMHVHEDSA-N -1 3 369.439 3.032 20 0 FGADHM CO[C@H](CS(=O)(=O)[N-]c1cccc(CO)c1Cl)c1ccc(F)cc1 ZINC000641689538 717921237 /nfs/dbraw/zinc/92/12/37/717921237.db2.gz JKTWJDSVTRZLKX-OAHLLOKOSA-N -1 3 373.833 3.101 20 0 FGADHM O=C([O-])C1CCC(NCc2cn(-c3ccc(Cl)cc3Cl)nn2)CC1 ZINC000262721835 713728773 /nfs/dbraw/zinc/72/87/73/713728773.db2.gz VYTNLFLWMNZLNL-UHFFFAOYSA-N -1 3 369.252 3.307 20 0 FGADHM C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000263338003 713742684 /nfs/dbraw/zinc/74/26/84/713742684.db2.gz MVZYJZNHHLEOIR-GRYCIOLGSA-N -1 3 358.360 3.075 20 0 FGADHM Cc1ccc([C@@H](CNC(=O)c2ccc3[n-]c(=S)oc3c2)N(C)C)cc1 ZINC000303705644 713787306 /nfs/dbraw/zinc/78/73/06/713787306.db2.gz OXIZWLMMSQKJSY-MRXNPFEDSA-N -1 3 355.463 3.458 20 0 FGADHM Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)cc(F)c1F ZINC000325440916 713817960 /nfs/dbraw/zinc/81/79/60/713817960.db2.gz CMYKIJFRSLMMIO-UHFFFAOYSA-N -1 3 364.276 3.260 20 0 FGADHM O=C(NCCCNC(=O)c1cc([O-])c2ccccc2c1)c1cccs1 ZINC000471963851 714081534 /nfs/dbraw/zinc/08/15/34/714081534.db2.gz GTCMQAIKYUUGSR-UHFFFAOYSA-N -1 3 354.431 3.157 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]C[C@@](C)(CO)Cc2ccccc2)sc1Cl ZINC000480854038 714091864 /nfs/dbraw/zinc/09/18/64/714091864.db2.gz RWZPQNRLEWORDW-INIZCTEOSA-N -1 3 373.927 3.230 20 0 FGADHM COC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)C(C)C ZINC000521710137 714143882 /nfs/dbraw/zinc/14/38/82/714143882.db2.gz RRAMYPGLJRCQCK-LLVKDONJSA-N -1 3 359.797 3.308 20 0 FGADHM Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2c(C)sc3c2cccc3C)o1 ZINC000521854398 714152092 /nfs/dbraw/zinc/15/20/92/714152092.db2.gz BITLRZKHNATTSD-SECBINFHSA-N -1 3 351.453 3.249 20 0 FGADHM O=S(=O)([N-]Cc1cccc(-n2ccnc2)c1)c1ccc(Cl)s1 ZINC000522376318 714185303 /nfs/dbraw/zinc/18/53/03/714185303.db2.gz PCZWTMZQNTZBFN-UHFFFAOYSA-N -1 3 353.856 3.066 20 0 FGADHM CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(OC)c(C(=O)OC)c1 ZINC000523529063 714239367 /nfs/dbraw/zinc/23/93/67/714239367.db2.gz AMGIMIHRZGWFBM-UHFFFAOYSA-N -1 3 363.435 3.153 20 0 FGADHM CCc1ocnc1C(=O)[N-]c1n[nH]c(-c2cccc(C(F)(F)F)c2)n1 ZINC000523562154 714241113 /nfs/dbraw/zinc/24/11/13/714241113.db2.gz WWMBUIOAJQRJBS-UHFFFAOYSA-N -1 3 351.288 3.293 20 0 FGADHM Cc1ccccc1CS(=O)(=O)[N-]C1(C(=O)OC(C)(C)C)CCCC1 ZINC000524013098 714263644 /nfs/dbraw/zinc/26/36/44/714263644.db2.gz ZBSFFOFGTSCBRJ-UHFFFAOYSA-N -1 3 353.484 3.069 20 0 FGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)C(C)(C)c2ccccc2)s1 ZINC000524408113 714281741 /nfs/dbraw/zinc/28/17/41/714281741.db2.gz CKRHPHWKROKXLK-GFCCVEGCSA-N -1 3 367.492 3.179 20 0 FGADHM Cc1cnc(C[N-]S(=O)(=O)c2csc(-c3ccccc3)n2)s1 ZINC000525696799 714368889 /nfs/dbraw/zinc/36/88/89/714368889.db2.gz RORVKSWXCYDACT-UHFFFAOYSA-N -1 3 351.478 3.054 20 0 FGADHM O=S(=O)([N-]C[C@H](c1ccccc1Cl)N1CCCC1)c1ccco1 ZINC000526084215 714403959 /nfs/dbraw/zinc/40/39/59/714403959.db2.gz RSGLNZVLCJALKG-OAHLLOKOSA-N -1 3 354.859 3.048 20 0 FGADHM CC(=O)c1cccc(NC(=O)c2sc(-c3ncccn3)nc2C)c1[O-] ZINC000575822470 714459340 /nfs/dbraw/zinc/45/93/40/714459340.db2.gz YEQYFFPGYMDGHA-UHFFFAOYSA-N -1 3 354.391 3.069 20 0 FGADHM Cc1c(Br)ccc([O-])c1NC(=O)Cn1cc(C2CC2)cn1 ZINC000615475258 714530420 /nfs/dbraw/zinc/53/04/20/714530420.db2.gz QEYWSAWGARTIMJ-UHFFFAOYSA-N -1 3 350.216 3.176 20 0 FGADHM CCCCc1nc(NC(=O)c2scnc2CC)c(C(=O)OCC)[n-]1 ZINC000616915063 714612818 /nfs/dbraw/zinc/61/28/18/714612818.db2.gz XWTNVYPRRLLVIM-UHFFFAOYSA-N -1 3 350.444 3.200 20 0 FGADHM CCOC(=O)c1ncc(NC(=O)CCCOc2ccccc2Cl)[n-]1 ZINC000617873944 714699242 /nfs/dbraw/zinc/69/92/42/714699242.db2.gz UCXVWVRRCFWKDL-UHFFFAOYSA-N -1 3 351.790 3.038 20 0 FGADHM CCOC(=O)c1nc(NC(=O)CCCOc2ccccc2Cl)c[n-]1 ZINC000617873944 714699246 /nfs/dbraw/zinc/69/92/46/714699246.db2.gz UCXVWVRRCFWKDL-UHFFFAOYSA-N -1 3 351.790 3.038 20 0 FGADHM COC(=O)CCSc1ncccc1[N-]C(=O)c1coc(C2CCC2)n1 ZINC000618136199 714721641 /nfs/dbraw/zinc/72/16/41/714721641.db2.gz LSPRJGBGPTWEOA-UHFFFAOYSA-N -1 3 361.423 3.245 20 0 FGADHM CCCCOc1ccc(C(=O)N2CCO[C@@H](CC(F)(F)F)C2)c([O-])c1 ZINC000620786882 714938234 /nfs/dbraw/zinc/93/82/34/714938234.db2.gz UCSLRTDYTRYOJJ-ZDUSSCGKSA-N -1 3 361.360 3.365 20 0 FGADHM Cc1ccnc([C@@H](C)[N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)n1 ZINC000622042723 715049354 /nfs/dbraw/zinc/04/93/54/715049354.db2.gz HZOQAIIHRQCSPK-SNVBAGLBSA-N -1 3 360.266 3.440 20 0 FGADHM CO[C@H](C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl)C1CCCCC1 ZINC000622887671 715103464 /nfs/dbraw/zinc/10/34/64/715103464.db2.gz DOQWAXBEGIVPSB-NSHDSACASA-N -1 3 353.772 3.055 20 0 FGADHM CS(=O)(=O)c1nc2cc(-c3ccc(OC4CCCC4)cc3)c[n-]c-2n1 ZINC000623168480 715293589 /nfs/dbraw/zinc/29/35/89/715293589.db2.gz WDEXLRVJECIXET-UHFFFAOYSA-N -1 3 357.435 3.350 20 0 FGADHM CS(=O)(=O)c1nc2cc(-c3cccc(OC4CCCC4)c3)cnc2[n-]1 ZINC000623168009 715293696 /nfs/dbraw/zinc/29/36/96/715293696.db2.gz YDSOUVVJNNJDTB-UHFFFAOYSA-N -1 3 357.435 3.350 20 0 FGADHM CS(=O)(=O)c1nc2ncc(-c3cccc(OC4CCCC4)c3)cc2[n-]1 ZINC000623168009 715293699 /nfs/dbraw/zinc/29/36/99/715293699.db2.gz YDSOUVVJNNJDTB-UHFFFAOYSA-N -1 3 357.435 3.350 20 0 FGADHM CS(=O)(=O)c1nc2cc(-c3cccc(OC4CCCC4)c3)c[n-]c-2n1 ZINC000623168009 715293704 /nfs/dbraw/zinc/29/37/04/715293704.db2.gz YDSOUVVJNNJDTB-UHFFFAOYSA-N -1 3 357.435 3.350 20 0 FGADHM Cc1cccc([O-])c1C(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1 ZINC000623493569 715347610 /nfs/dbraw/zinc/34/76/10/715347610.db2.gz JXXZSFYTYFAUQS-UHFFFAOYSA-N -1 3 362.451 3.030 20 0 FGADHM C[C@@H]1C[C@H](CO)CCN1Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000626119015 715852457 /nfs/dbraw/zinc/85/24/57/715852457.db2.gz CGCUAGIAMKINBU-VXGBXAGGSA-N -1 3 359.451 3.250 20 0 FGADHM COCC[C@@H](NC(=O)c1cc([O-])cc(Br)c1)c1ccco1 ZINC000626403202 715900509 /nfs/dbraw/zinc/90/05/09/715900509.db2.gz FRKQQNAKVNESDA-CYBMUJFWSA-N -1 3 354.200 3.255 20 0 FGADHM Cc1cccc([O-])c1C(=O)N(CCO)Cc1cc(Br)cs1 ZINC000626658899 715947259 /nfs/dbraw/zinc/94/72/59/715947259.db2.gz VKWQHBLAFFQPQO-UHFFFAOYSA-N -1 3 370.268 3.159 20 0 FGADHM Cc1ccc(C(F)(F)C(=O)[N-][C@@](C)(C(N)=O)c2cccc(Cl)c2)cc1 ZINC000779989019 724439588 /nfs/dbraw/zinc/43/95/88/724439588.db2.gz SGWQSXAIKYUJHL-QGZVFWFLSA-N -1 3 366.795 3.257 20 0 FGADHM Cc1cnc([C@H](C)OC(=O)c2ccc(I)c([O-])c2)o1 ZINC000760810897 723094913 /nfs/dbraw/zinc/09/49/13/723094913.db2.gz CICLGPICXKMQOS-QMMMGPOBSA-N -1 3 373.146 3.211 20 0 FGADHM CCO[C@@H](CS(=O)(=O)[N-]c1ccc2cnn(C(C)C)c2c1)C1CC1 ZINC000629288564 716252992 /nfs/dbraw/zinc/25/29/92/716252992.db2.gz SFSASNKZEYHXJU-KRWDZBQOSA-N -1 3 351.472 3.174 20 0 FGADHM CCO[C@@H](CS(=O)(=O)[N-]c1cc(C)ccc1-n1cc(C)cn1)C1CC1 ZINC000629290012 716253464 /nfs/dbraw/zinc/25/34/64/716253464.db2.gz 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CO[C@@H](C)CSc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[n-]1 ZINC000679842682 722050120 /nfs/dbraw/zinc/05/01/20/722050120.db2.gz RUXRKJRISXHUTC-VIFPVBQESA-N -1 3 350.831 3.302 20 0 FGADHM CCc1ncc(S(=O)(=O)[N-]C[C@H](OC)c2ccccc2Cl)s1 ZINC000680857036 722163581 /nfs/dbraw/zinc/16/35/81/722163581.db2.gz HFJVEJUIWSNDIE-LBPRGKRZSA-N -1 3 360.888 3.025 20 0 FGADHM O=C([N-]c1n[nH]c(-c2ccc(Br)cc2)n1)c1coc(C2CC2)n1 ZINC000681632932 722214663 /nfs/dbraw/zinc/21/46/63/722214663.db2.gz WZCJCZMFVDEBRW-UHFFFAOYSA-N -1 3 374.198 3.352 20 0 FGADHM CCCCOc1ccc(C(=O)N2C[C@H](C(F)(F)F)O[C@@H](C)C2)c([O-])c1 ZINC000682808224 722265802 /nfs/dbraw/zinc/26/58/02/722265802.db2.gz OOJMEPICLPCJNP-XHDPSFHLSA-N -1 3 361.360 3.363 20 0 FGADHM O=S(=O)([N-]CCc1c(F)cccc1F)c1ccc(Cl)nc1Cl ZINC000725823709 722423773 /nfs/dbraw/zinc/42/37/73/722423773.db2.gz CSFRGTZYUCMTKW-UHFFFAOYSA-N -1 3 367.204 3.188 20 0 FGADHM Cc1ccc(C)c(COC(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)c1 ZINC000725993455 722427706 /nfs/dbraw/zinc/42/77/06/722427706.db2.gz 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Cc1c(F)cccc1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000744810654 722580621 /nfs/dbraw/zinc/58/06/21/722580621.db2.gz XJAPIYQVPVFFJO-UHFFFAOYSA-N -1 3 368.405 3.212 20 0 FGADHM Cc1noc(C)c1C[N-]S(=O)(=O)c1cc2ccc(Cl)nc2cc1F ZINC000746404442 722601542 /nfs/dbraw/zinc/60/15/42/722601542.db2.gz YEQAAHYCJOBKJE-UHFFFAOYSA-N -1 3 369.805 3.111 20 0 FGADHM COC(=O)c1cc(S(=O)(=O)[N-]C2(C)CCCC2)c(Cl)cc1Cl ZINC000747255504 722640230 /nfs/dbraw/zinc/64/02/30/722640230.db2.gz TZLKRFNKMSZATJ-UHFFFAOYSA-N -1 3 366.266 3.391 20 0 FGADHM COC(=O)c1cc(S(=O)(=O)[N-]C[C@H](C)C2CC2)c(Cl)cc1Cl ZINC000747257540 722640470 /nfs/dbraw/zinc/64/04/70/722640470.db2.gz VUPPEIFPHLAACV-QMMMGPOBSA-N -1 3 366.266 3.104 20 0 FGADHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@H](C)[C@H](C)c2ccccc2)c1 ZINC000747291510 722642770 /nfs/dbraw/zinc/64/27/70/722642770.db2.gz QKQCUIQDTUPDPG-QWHCGFSZSA-N -1 3 365.426 3.083 20 0 FGADHM Cc1ccccc1CCNC(=O)COC(=O)c1cc(F)cc(Cl)c1[O-] ZINC000748473943 722692703 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Cc1ccsc1CNC(=O)COC(=O)c1cc(F)cc(Cl)c1[O-] ZINC000751733634 722824286 /nfs/dbraw/zinc/82/42/86/722824286.db2.gz FSZRDPFKOUXAOV-UHFFFAOYSA-N -1 3 357.790 3.028 20 0 FGADHM C[C@H](CC(=O)OCC(=O)[N-]C(=O)c1cccs1)c1ccc(F)cc1F ZINC000751857186 722831027 /nfs/dbraw/zinc/83/10/27/722831027.db2.gz BBFKVHWUSRTYHF-SNVBAGLBSA-N -1 3 367.373 3.020 20 0 FGADHM CCCCC[C@H]([N-]S(=O)(=O)C1=Cc2ccccc2CC1)C(=O)OC ZINC000751988172 722839807 /nfs/dbraw/zinc/83/98/07/722839807.db2.gz ILHDOJIUHOQJCC-KRWDZBQOSA-N -1 3 351.468 3.015 20 0 FGADHM CCN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C)c1)c1ccc(Cl)cc1 ZINC000752409206 722856968 /nfs/dbraw/zinc/85/69/68/722856968.db2.gz TWKZEXVWMHERAN-UHFFFAOYSA-N -1 3 370.833 3.054 20 0 FGADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCCC[C@@H]2C(C)(C)C)ccc1F ZINC000752507530 722860157 /nfs/dbraw/zinc/86/01/57/722860157.db2.gz HHAOWWPDRWPQOQ-ZFWWWQNUSA-N -1 3 370.490 3.069 20 0 FGADHM Cn1cc(S(=O)(=O)[N-][C@@H]2CCC[C@H](c3ccccc3)C2)nc1Cl ZINC000752873731 722875594 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Cc1cnc(C2CCN(C(=O)c3nnc4ccccc4c3[O-])CC2)s1 ZINC000762725513 723274630 /nfs/dbraw/zinc/27/46/30/723274630.db2.gz GIINBVGWVJEQNC-UHFFFAOYSA-N -1 3 354.435 3.120 20 0 FGADHM O=C(OCc1noc(-c2ccccc2[O-])n1)c1csc(C(F)(F)F)n1 ZINC000792342037 723330710 /nfs/dbraw/zinc/33/07/10/723330710.db2.gz LTJYILUURFRDKY-UHFFFAOYSA-N -1 3 371.296 3.275 20 0 FGADHM COC(=O)Nc1cc(C(=O)Nc2ncccc2[O-])cc(C(F)(F)F)c1 ZINC000764321099 723406785 /nfs/dbraw/zinc/40/67/85/723406785.db2.gz QHLDCHMWJSNPKQ-UHFFFAOYSA-N -1 3 355.272 3.237 20 0 FGADHM COc1ccc([N-]S(=O)(=O)c2ccc3nc(C)sc3c2)c(Cl)n1 ZINC000793417610 723436101 /nfs/dbraw/zinc/43/61/01/723436101.db2.gz XZHFAYQECLGEGF-UHFFFAOYSA-N -1 3 369.855 3.463 20 0 FGADHM CC(C)(O)CO[N-]C(=O)Nc1ncc(Cc2cccc(Cl)c2)s1 ZINC000793997983 723481651 /nfs/dbraw/zinc/48/16/51/723481651.db2.gz HUWDIUQNVFABAP-UHFFFAOYSA-N -1 3 355.847 3.211 20 0 FGADHM COC(=O)c1cc(F)cc([N-]S(=O)(=O)/C=C\c2ccc(C)cc2)c1F ZINC000794609115 723534906 /nfs/dbraw/zinc/53/49/06/723534906.db2.gz 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O=Cc1ccccc1S(=O)(=O)[N-]CC(F)(F)c1ccc(Cl)cc1 ZINC000796172930 723624873 /nfs/dbraw/zinc/62/48/73/723624873.db2.gz RRKJPRQWYBWDQF-UHFFFAOYSA-N -1 3 359.781 3.223 20 0 FGADHM O=S(=O)(/C=C\c1cccc(Cl)c1)[N-]c1cnn(-c2ccccn2)c1 ZINC000768862529 723669947 /nfs/dbraw/zinc/66/99/47/723669947.db2.gz LNKOQJSIWSJUIP-CLFYSBASSA-N -1 3 360.826 3.333 20 0 FGADHM O=C(Nc1cnn(-c2ccccc2Cl)c1)c1cc2c(cc1[O-])OCO2 ZINC000769778332 723694824 /nfs/dbraw/zinc/69/48/24/723694824.db2.gz ODKYMBUXXOBVHQ-UHFFFAOYSA-N -1 3 357.753 3.212 20 0 FGADHM Cn1cc(S(=O)(=O)[N-][C@H]2CCCC[C@H]2c2ccccc2)nc1Cl ZINC000769895192 723699477 /nfs/dbraw/zinc/69/94/77/723699477.db2.gz BLSSILOORIWNCA-KBPBESRZSA-N -1 3 353.875 3.078 20 0 FGADHM CS(=O)(=O)[N-]c1cc(C(=O)O[C@@H]2CC[C@H]3CCC[C@@H]3C2)ccc1F ZINC000771005837 723725595 /nfs/dbraw/zinc/72/55/95/723725595.db2.gz GRONKGPSBWIVCD-YRGRVCCFSA-N -1 3 355.431 3.323 20 0 FGADHM O=C([N-]OC1CCCC1)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000774874441 723937502 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Cc1cc(NC(=O)COC(=O)c2cccc(Cl)c2[O-])n(C(C)(C)C)n1 ZINC000775935559 724086078 /nfs/dbraw/zinc/08/60/78/724086078.db2.gz LEJKUVFNSWKJCT-UHFFFAOYSA-N -1 3 365.817 3.101 20 0 FGADHM CCCN(Cc1ccc(C)cc1)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000776256804 724124644 /nfs/dbraw/zinc/12/46/44/724124644.db2.gz QVBJOCKGBMMNLN-UHFFFAOYSA-N -1 3 355.364 3.254 20 0 FGADHM Cc1cnn(-c2ccncc2[N-]S(=O)(=O)/C=C\c2ccccc2F)c1 ZINC000800040528 724133718 /nfs/dbraw/zinc/13/37/18/724133718.db2.gz BJFPZYBPTWWSDZ-CLFYSBASSA-N -1 3 358.398 3.127 20 0 FGADHM CC(C)(C)OC(=O)C1([N-]S(=O)(=O)/C=C/c2ccccc2F)CCCC1 ZINC000800056359 724137389 /nfs/dbraw/zinc/13/73/89/724137389.db2.gz SIHZKWMAJWEUQE-JLHYYAGUSA-N -1 3 369.458 3.370 20 0 FGADHM O=C(OCc1ccc(F)c(Br)c1)c1cccc2nn[n-]c21 ZINC000800207135 724166318 /nfs/dbraw/zinc/16/63/18/724166318.db2.gz TWPBHDSOWJJNCU-UHFFFAOYSA-N -1 3 350.147 3.217 20 0 FGADHM O=C(OCc1ccc(F)c(Br)c1)c1cccc2[n-]nnc21 ZINC000800207135 724166321 /nfs/dbraw/zinc/16/63/21/724166321.db2.gz 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/nfs/dbraw/zinc/17/25/51/724172551.db2.gz XSVNFVPDEMBPGO-UHFFFAOYSA-N -1 3 350.147 3.217 20 0 FGADHM O=C(OCc1ccccc1Br)c1cc(F)cc2n[n-]nc21 ZINC000800264187 724172555 /nfs/dbraw/zinc/17/25/55/724172555.db2.gz XSVNFVPDEMBPGO-UHFFFAOYSA-N -1 3 350.147 3.217 20 0 FGADHM O=C1CCc2cc(Cl)c(S(=O)(=O)[N-][C@H]3CCCC(F)(F)C3)cc21 ZINC000800921506 724248197 /nfs/dbraw/zinc/24/81/97/724248197.db2.gz CMVIAZQYYXMPFI-JTQLQIEISA-N -1 3 363.813 3.325 20 0 FGADHM CC(C)(C)OC(=O)N1CC[C@@H](CCC(=O)[N-]OCCC(F)(F)F)C1 ZINC000777966800 724276593 /nfs/dbraw/zinc/27/65/93/724276593.db2.gz HRWYCHDMFOOYJL-LLVKDONJSA-N -1 3 354.369 3.024 20 0 FGADHM O=C(OCc1noc(-c2ccccc2[O-])n1)c1ccc2ncsc2c1 ZINC000778084203 724294525 /nfs/dbraw/zinc/29/45/25/724294525.db2.gz OYQWQIZBOOXDAW-UHFFFAOYSA-N -1 3 353.359 3.409 20 0 FGADHM Cc1cc(Br)cc(Cl)c1C(=O)OCc1cc(=O)c([O-])co1 ZINC000778206504 724311019 /nfs/dbraw/zinc/31/10/19/724311019.db2.gz OTUYGOBHOGDIKR-UHFFFAOYSA-N -1 3 373.586 3.427 20 0 FGADHM O=C([N-]N1Cc2ccccc2C1=O)[C@H](F)c1ccc(C(F)(F)F)cc1 ZINC000801950479 724349598 /nfs/dbraw/zinc/34/95/98/724349598.db2.gz JCJRWXRKIMEARJ-CQSZACIVSA-N -1 3 352.287 3.403 20 0 FGADHM C[C@H](OC(=O)c1cc2occc2[n-]1)C(=O)N1CCSc2ccccc21 ZINC000786029949 724954844 /nfs/dbraw/zinc/95/48/44/724954844.db2.gz JWOHVFQVSKEFAH-NSHDSACASA-N -1 3 356.403 3.445 20 0 FGADHM O=C(COC(=O)c1cc2occc2[n-]1)Nc1ncc(Cl)cc1Cl ZINC000786030754 724954871 /nfs/dbraw/zinc/95/48/71/724954871.db2.gz AXUGQSHASWXDML-UHFFFAOYSA-N -1 3 354.149 3.258 20 0 FGADHM Cn1cc(-c2cc(COC(=O)c3cc4sccc4c([O-])c3)on2)cn1 ZINC000786139859 724962607 /nfs/dbraw/zinc/96/26/07/724962607.db2.gz KBVJBJICXOCFSI-UHFFFAOYSA-N -1 3 355.375 3.352 20 0 FGADHM COC(=O)/C=C\c1ccc(S(=O)(=O)[N-]c2cc(C)cnc2Cl)cc1 ZINC000786888310 725005976 /nfs/dbraw/zinc/00/59/76/725005976.db2.gz WZJRTHHHUDAPAK-YVMONPNESA-N -1 3 366.826 3.030 20 0 FGADHM O=C(CCCc1ccc([O-])c(F)c1)OCc1nc(CC(F)(F)F)no1 ZINC000787843580 725039425 /nfs/dbraw/zinc/03/94/25/725039425.db2.gz 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/nfs/dbraw/zinc/06/17/59/729061759.db2.gz TUWQIHNLGZCDTC-UHFFFAOYSA-N -1 3 362.476 3.176 20 0 FGADHM O=S(=O)(CC1Cc2ccccc2C1)[N-]c1cnn(-c2ccccc2)c1 ZINC000821163270 729064904 /nfs/dbraw/zinc/06/49/04/729064904.db2.gz NAPKLPSVSVDLAE-UHFFFAOYSA-N -1 3 353.447 3.029 20 0 FGADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OCc1ccc(F)cc1F ZINC000821699669 729106450 /nfs/dbraw/zinc/10/64/50/729106450.db2.gz YRZGAJULIKVGDS-UHFFFAOYSA-N -1 3 352.728 3.386 20 0 FGADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OCc1ccc(F)cc1F ZINC000821699669 729106452 /nfs/dbraw/zinc/10/64/52/729106452.db2.gz YRZGAJULIKVGDS-UHFFFAOYSA-N -1 3 352.728 3.386 20 0 FGADHM Cc1ccc(C)c(NC(=O)CNc2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000822231937 729155580 /nfs/dbraw/zinc/15/55/80/729155580.db2.gz NJBUQSFEUXFDRE-UHFFFAOYSA-N -1 3 356.817 3.188 20 0 FGADHM CCOCCOCc1cccc(NC(=O)c2[n-]cnc2C(F)(F)F)c1 ZINC000822588884 729197864 /nfs/dbraw/zinc/19/78/64/729197864.db2.gz GSARELIXOHMNRN-UHFFFAOYSA-N -1 3 357.332 3.234 20 0 FGADHM CCOCCOCc1cccc(NC(=O)c2nc[n-]c2C(F)(F)F)c1 ZINC000822588884 729197866 /nfs/dbraw/zinc/19/78/66/729197866.db2.gz GSARELIXOHMNRN-UHFFFAOYSA-N -1 3 357.332 3.234 20 0 FGADHM Cc1noc(C)c1C[N-]C(=O)C(F)(F)c1ccc(Br)cc1 ZINC000823671804 729297766 /nfs/dbraw/zinc/29/77/66/729297766.db2.gz LBRHLNQCMSTNOS-UHFFFAOYSA-N -1 3 359.170 3.462 20 0 FGADHM CC(C)(C)CCNC(=O)CSc1cccc(Cl)c1-c1nnn[n-]1 ZINC000824086916 729318973 /nfs/dbraw/zinc/31/89/73/729318973.db2.gz QLCPQAMPZFMSPM-UHFFFAOYSA-N -1 3 353.879 3.165 20 0 FGADHM CC(C)(C)CCNC(=O)CSc1cccc(Cl)c1-c1nn[n-]n1 ZINC000824086916 729318976 /nfs/dbraw/zinc/31/89/76/729318976.db2.gz QLCPQAMPZFMSPM-UHFFFAOYSA-N -1 3 353.879 3.165 20 0 FGADHM CC(C)OCCCCNc1ccc(Br)cc1-c1nnn[n-]1 ZINC000824315131 729330411 /nfs/dbraw/zinc/33/04/11/729330411.db2.gz LGXUFORNZGIKQK-UHFFFAOYSA-N -1 3 354.252 3.246 20 0 FGADHM CC(C)OCCCCNc1ccc(Br)cc1-c1nn[n-]n1 ZINC000824315131 729330414 /nfs/dbraw/zinc/33/04/14/729330414.db2.gz LGXUFORNZGIKQK-UHFFFAOYSA-N -1 3 354.252 3.246 20 0 FGADHM CCc1cc(Sc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)ncn1 ZINC000825700837 729391939 /nfs/dbraw/zinc/39/19/39/729391939.db2.gz VLWLJRJQKHLDQQ-UHFFFAOYSA-N -1 3 352.345 3.389 20 0 FGADHM CCc1cc(Sc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)ncn1 ZINC000825700837 729391941 /nfs/dbraw/zinc/39/19/41/729391941.db2.gz VLWLJRJQKHLDQQ-UHFFFAOYSA-N -1 3 352.345 3.389 20 0 FGADHM CSc1ccc([O-])c(C(=O)N[C@H](C)c2ccc3c(c2)CC(=O)N3C)c1 ZINC000825916579 729399286 /nfs/dbraw/zinc/39/92/86/729399286.db2.gz QHJQDIKHZBEFBB-LLVKDONJSA-N -1 3 356.447 3.124 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1CNc1ccc(Br)cc1 ZINC000826171047 729406101 /nfs/dbraw/zinc/40/61/01/729406101.db2.gz ZXHGSZGQENSSCC-UHFFFAOYSA-N -1 3 360.215 3.250 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1CNc1ccc(Br)cc1 ZINC000826171047 729406102 /nfs/dbraw/zinc/40/61/02/729406102.db2.gz ZXHGSZGQENSSCC-UHFFFAOYSA-N -1 3 360.215 3.250 20 0 FGADHM COCCC1(CNc2ccc(Br)cc2-c2nnn[n-]2)CCC1 ZINC000826155236 729406104 /nfs/dbraw/zinc/40/61/04/729406104.db2.gz KHXSFUBXTFWESN-UHFFFAOYSA-N -1 3 366.263 3.248 20 0 FGADHM COCCC1(CNc2ccc(Br)cc2-c2nn[n-]n2)CCC1 ZINC000826155236 729406105 /nfs/dbraw/zinc/40/61/05/729406105.db2.gz KHXSFUBXTFWESN-UHFFFAOYSA-N -1 3 366.263 3.248 20 0 FGADHM COCC[C@H](Nc1ncc(Cl)c(C)c1-c1nnn[n-]1)c1ccc(C)o1 ZINC000826155740 729406177 /nfs/dbraw/zinc/40/61/77/729406177.db2.gz ZYBJMQNXIZJSPQ-LBPRGKRZSA-N -1 3 362.821 3.315 20 0 FGADHM COCC[C@H](Nc1ncc(Cl)c(C)c1-c1nn[n-]n1)c1ccc(C)o1 ZINC000826155740 729406178 /nfs/dbraw/zinc/40/61/78/729406178.db2.gz ZYBJMQNXIZJSPQ-LBPRGKRZSA-N -1 3 362.821 3.315 20 0 FGADHM CSc1ccc(C)c(NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c1 ZINC000826230498 729406396 /nfs/dbraw/zinc/40/63/96/729406396.db2.gz WSEQKSJQBPTWOJ-UHFFFAOYSA-N -1 3 361.377 3.428 20 0 FGADHM CSc1ccc(C)c(NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c1 ZINC000826230498 729406397 /nfs/dbraw/zinc/40/63/97/729406397.db2.gz WSEQKSJQBPTWOJ-UHFFFAOYSA-N -1 3 361.377 3.428 20 0 FGADHM Cc1c(Cl)cnc(N[C@H]2COc3cc(F)cc(F)c32)c1-c1nnn[n-]1 ZINC000826239484 729406537 /nfs/dbraw/zinc/40/65/37/729406537.db2.gz IUXVQSDCNATTKR-JTQLQIEISA-N -1 3 364.743 3.047 20 0 FGADHM Cc1c(Cl)cnc(N[C@H]2COc3cc(F)cc(F)c32)c1-c1nn[n-]n1 ZINC000826239484 729406538 /nfs/dbraw/zinc/40/65/38/729406538.db2.gz IUXVQSDCNATTKR-JTQLQIEISA-N -1 3 364.743 3.047 20 0 FGADHM Cc1cc(NCc2ccc(-c3nnn[n-]3)cc2F)cnc1Br ZINC000826271168 729406967 /nfs/dbraw/zinc/40/69/67/729406967.db2.gz GETVSVMBZXBYDU-UHFFFAOYSA-N -1 3 363.194 3.084 20 0 FGADHM Cc1cc(NCc2ccc(-c3nn[n-]n3)cc2F)cnc1Br ZINC000826271168 729406968 /nfs/dbraw/zinc/40/69/68/729406968.db2.gz GETVSVMBZXBYDU-UHFFFAOYSA-N -1 3 363.194 3.084 20 0 FGADHM Cc1ccccc1C1=CCN(c2ncc(Cl)c(C)c2-c2nnn[n-]2)C1 ZINC000826306661 729407174 /nfs/dbraw/zinc/40/71/74/729407174.db2.gz HEEOFJUFBAXQMN-UHFFFAOYSA-N -1 3 352.829 3.436 20 0 FGADHM Cc1ccccc1C1=CCN(c2ncc(Cl)c(C)c2-c2nn[n-]n2)C1 ZINC000826306661 729407175 /nfs/dbraw/zinc/40/71/75/729407175.db2.gz HEEOFJUFBAXQMN-UHFFFAOYSA-N -1 3 352.829 3.436 20 0 FGADHM Cc1ccnc(N[C@@H]2CCc3cc(Br)ccc32)c1-c1nnn[n-]1 ZINC000826312425 729407195 /nfs/dbraw/zinc/40/71/95/729407195.db2.gz DIIXCNZYWRSOSB-CYBMUJFWSA-N -1 3 371.242 3.432 20 0 FGADHM Cc1ccnc(N[C@@H]2CCc3cc(Br)ccc32)c1-c1nn[n-]n1 ZINC000826312425 729407196 /nfs/dbraw/zinc/40/71/96/729407196.db2.gz DIIXCNZYWRSOSB-CYBMUJFWSA-N -1 3 371.242 3.432 20 0 FGADHM Cc1ncsc1CN[C@H](c1cccc(-c2nnn[n-]2)c1)C(F)(F)F ZINC000826331469 729407440 /nfs/dbraw/zinc/40/74/40/729407440.db2.gz JVCNRCCJZBNVPY-GFCCVEGCSA-N -1 3 354.361 3.025 20 0 FGADHM Cc1ncsc1CN[C@H](c1cccc(-c2nn[n-]n2)c1)C(F)(F)F ZINC000826331469 729407441 /nfs/dbraw/zinc/40/74/41/729407441.db2.gz JVCNRCCJZBNVPY-GFCCVEGCSA-N -1 3 354.361 3.025 20 0 FGADHM O=C(O[C@@H](c1cccc(Cl)c1)C(F)(F)F)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826461854 729408166 /nfs/dbraw/zinc/40/81/66/729408166.db2.gz ILNFVFVEGPJMJB-NSHDSACASA-N -1 3 371.706 3.309 20 0 FGADHM O=C(O[C@@H](c1cccc(Cl)c1)C(F)(F)F)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826461854 729408167 /nfs/dbraw/zinc/40/81/67/729408167.db2.gz ILNFVFVEGPJMJB-NSHDSACASA-N -1 3 371.706 3.309 20 0 FGADHM O=C(OCc1sc2ccccc2c1Cl)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826467875 729408406 /nfs/dbraw/zinc/40/84/06/729408406.db2.gz PNMXJTQVOUPCKL-UHFFFAOYSA-N -1 3 359.798 3.420 20 0 FGADHM O=C(OCc1sc2ccccc2c1Cl)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826467875 729408408 /nfs/dbraw/zinc/40/84/08/729408408.db2.gz PNMXJTQVOUPCKL-UHFFFAOYSA-N -1 3 359.798 3.420 20 0 FGADHM O=[S@@](CCSc1cccc(Cl)c1-c1nnn[n-]1)c1ccccc1 ZINC000826496244 729408416 /nfs/dbraw/zinc/40/84/16/729408416.db2.gz PKJPXXTVMRVXGX-QHCPKHFHSA-N -1 3 364.883 3.420 20 0 FGADHM O=[S@@](CCSc1cccc(Cl)c1-c1nn[n-]n1)c1ccccc1 ZINC000826496244 729408418 /nfs/dbraw/zinc/40/84/18/729408418.db2.gz PKJPXXTVMRVXGX-QHCPKHFHSA-N -1 3 364.883 3.420 20 0 FGADHM Cc1ccc([O-])c(CN2Cc3ccc(NC(=O)C(F)(F)F)cc3C2)n1 ZINC000826888205 729417956 /nfs/dbraw/zinc/41/79/56/729417956.db2.gz DDEQHLJBWKWXSC-UHFFFAOYSA-N -1 3 351.328 3.112 20 0 FGADHM CC(F)(F)C(=O)[N-]Cc1cc(Br)cc(Br)c1N ZINC000830246943 729546158 /nfs/dbraw/zinc/54/61/58/729546158.db2.gz JOUUCHIAMXZUNE-UHFFFAOYSA-N -1 3 372.007 3.065 20 0 FGADHM COC(=O)c1ccc(-c2nc(CN[C@@H](C(=O)[O-])C(C)(C)C)cs2)cc1 ZINC000831354088 729635901 /nfs/dbraw/zinc/63/59/01/729635901.db2.gz UFQNXCJMQKIFQR-AWEZNQCLSA-N -1 3 362.451 3.186 20 0 FGADHM CC(C)=CCC[C@H](C)NC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000836565754 729960603 /nfs/dbraw/zinc/96/06/03/729960603.db2.gz TXBHZVXUISCEEN-KBPBESRZSA-N -1 3 363.424 3.221 20 0 FGADHM CCC[C@H](NC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1)C(C)(C)C ZINC000836576601 729960973 /nfs/dbraw/zinc/96/09/73/729960973.db2.gz YCEFQWODPWHKPT-OLZOCXBDSA-N -1 3 365.440 3.301 20 0 FGADHM COc1ccc([C@@H]([N-]C(=O)C(F)(F)C2(O)CCC2)c2ccco2)cc1 ZINC000837165202 730001686 /nfs/dbraw/zinc/00/16/86/730001686.db2.gz FUISCQCVYVLSED-OAHLLOKOSA-N -1 3 351.349 3.044 20 0 FGADHM O=C(COC(=O)[C@@H]1CCC[C@@H]1c1ccccc1)[N-]C(=O)c1cccs1 ZINC000837860410 730070025 /nfs/dbraw/zinc/07/00/25/730070025.db2.gz GJFJJAUGCUUZCD-HUUCEWRRSA-N -1 3 357.431 3.132 20 0 FGADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3cc(Cl)n(C)n3)nc(=O)c2c1C ZINC000838162178 730095559 /nfs/dbraw/zinc/09/55/59/730095559.db2.gz DWZJPRUBDOHKMB-ZETCQYMHSA-N -1 3 366.830 3.319 20 0 FGADHM CCN(Cc1nc2c(c(=O)[n-]1)COCC2)c1cccc(C(F)(F)F)c1 ZINC000878717344 736910695 /nfs/dbraw/zinc/91/06/95/736910695.db2.gz XFAAXVYYWIQIQJ-UHFFFAOYSA-N -1 3 353.344 3.300 20 0 FGADHM COc1cc(F)c(Br)cc1NC([O-])=NO[C@@H]1CCCCO1 ZINC000841794660 730274640 /nfs/dbraw/zinc/27/46/40/730274640.db2.gz AMEUZBFEDWSZOL-GFCCVEGCSA-N -1 3 363.183 3.177 20 0 FGADHM COc1cc(F)c(Br)cc1NC(=O)[N-]O[C@@H]1CCCCO1 ZINC000841794660 730274641 /nfs/dbraw/zinc/27/46/41/730274641.db2.gz AMEUZBFEDWSZOL-GFCCVEGCSA-N -1 3 363.183 3.177 20 0 FGADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1cnc(Cl)c(C(F)(F)F)c1 ZINC000841798070 730275134 /nfs/dbraw/zinc/27/51/34/730275134.db2.gz CZLBYKWJKIMLRU-UHFFFAOYSA-N -1 3 369.727 3.149 20 0 FGADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1cnc(Cl)c(C(F)(F)F)c1 ZINC000841798070 730275137 /nfs/dbraw/zinc/27/51/37/730275137.db2.gz CZLBYKWJKIMLRU-UHFFFAOYSA-N -1 3 369.727 3.149 20 0 FGADHM CCOc1cc(CN2CCc3cc(Cl)nnc3C2)cc(Cl)c1[O-] ZINC000843416223 730617765 /nfs/dbraw/zinc/61/77/65/730617765.db2.gz PJFQNOGBGLZUQA-UHFFFAOYSA-N -1 3 354.237 3.446 20 0 FGADHM CN(Cc1cccc([O-])c1Br)C[C@@]1(O)CCc2ccccc21 ZINC000843421900 730619044 /nfs/dbraw/zinc/61/90/44/730619044.db2.gz SDAUIEZIVLISMA-SFHVURJKSA-N -1 3 362.267 3.421 20 0 FGADHM CCCO[N-]C(=O)Cc1cc(OCC)c(OCC)cc1Br ZINC000844079828 730683208 /nfs/dbraw/zinc/68/32/08/730683208.db2.gz AXAHZKYRSMOFLF-UHFFFAOYSA-N -1 3 360.248 3.247 20 0 FGADHM C[C@H]1CCN(Cc2cc3cnccc3o2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000845973453 730913661 /nfs/dbraw/zinc/91/36/61/730913661.db2.gz ZWIGUHPBLBOJPM-PGUXBMHVSA-N -1 3 355.360 3.105 20 0 FGADHM O=C([O-])[C@@]12CN(Cc3cc(Br)ccc3Cl)C[C@H]1COCC2 ZINC000846287740 730943933 /nfs/dbraw/zinc/94/39/33/730943933.db2.gz TZGAARGRINETJF-NHYWBVRUSA-N -1 3 374.662 3.026 20 0 FGADHM CCOc1cc(-c2noc([C@H](CC)NC)n2)cc(Br)c1[O-] ZINC000849228315 731236588 /nfs/dbraw/zinc/23/65/88/731236588.db2.gz IEMBHCIALVMNEN-JTQLQIEISA-N -1 3 356.220 3.274 20 0 FGADHM O=S(=O)([N-][C@H]1COC2(CCC2)C1)c1cc(Cl)ccc1C(F)(F)F ZINC000849448973 731260567 /nfs/dbraw/zinc/26/05/67/731260567.db2.gz RKADCHFUQAEKGU-SNVBAGLBSA-N -1 3 369.792 3.349 20 0 FGADHM CSc1ccc([O-])c(C(=O)N2CCC[C@](CO)(c3ccccc3)C2)c1 ZINC000854370262 731821971 /nfs/dbraw/zinc/82/19/71/731821971.db2.gz NILJZIOPLTVPMB-FQEVSTJZSA-N -1 3 357.475 3.280 20 0 FGADHM CCN(C)C(=O)OC[C@@H]1CCCCN1C(=O)c1cc(SC)ccc1[O-] ZINC000854454356 731830455 /nfs/dbraw/zinc/83/04/55/731830455.db2.gz KFCJOEKNPFPQMH-ZDUSSCGKSA-N -1 3 366.483 3.197 20 0 FGADHM CC(C)c1cccc(C(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)c1 ZINC000854525290 731838329 /nfs/dbraw/zinc/83/83/29/731838329.db2.gz DNPODGGFHKNXRQ-CYBMUJFWSA-N -1 3 356.388 3.341 20 0 FGADHM Cc1nnsc1C[N-]C(=O)C(F)(F)c1ccc(Br)cc1 ZINC000854602865 731844812 /nfs/dbraw/zinc/84/48/12/731844812.db2.gz ODPQLQMSSMQNSN-UHFFFAOYSA-N -1 3 362.199 3.017 20 0 FGADHM CC[C@H]([N-]C(=O)C(F)(F)c1ccc(Br)cc1)[C@H](O)C(F)F ZINC000854749557 731859148 /nfs/dbraw/zinc/85/91/48/731859148.db2.gz PMGUMXZXVWRZFH-UWVGGRQHSA-N -1 3 372.156 3.062 20 0 FGADHM CC(C)O[N-]C(=O)Cc1ccc(Br)c(Br)c1 ZINC000854753237 731859498 /nfs/dbraw/zinc/85/94/98/731859498.db2.gz AOHMTTAKWHMZFI-UHFFFAOYSA-N -1 3 351.038 3.210 20 0 FGADHM Cc1cccnc1C(F)(F)C(=O)[N-][C@H](C)COc1c(F)cccc1F ZINC000855632911 731942564 /nfs/dbraw/zinc/94/25/64/731942564.db2.gz JOYJHZYVKGKQSJ-LLVKDONJSA-N -1 3 356.319 3.344 20 0 FGADHM O=C([N-]OCC1CCC1)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000856343279 732014124 /nfs/dbraw/zinc/01/41/24/732014124.db2.gz BYRXFDLKYGLZPR-OAHLLOKOSA-N -1 3 350.846 3.040 20 0 FGADHM C[C@H](CCC(C)(C)C)C(=O)N1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC000856417214 732025326 /nfs/dbraw/zinc/02/53/26/732025326.db2.gz LKQOCYDUCVDOLQ-UPJWGTAASA-N -1 3 350.425 3.364 20 0 FGADHM CC(C)n1ncnc1C[N-]C(=O)C(F)(F)c1ccc(Br)cc1 ZINC000857199574 732111336 /nfs/dbraw/zinc/11/13/36/732111336.db2.gz AEMXUTGZQXOYOS-UHFFFAOYSA-N -1 3 373.201 3.030 20 0 FGADHM CC(C)(C)OC(=O)NCc1nc(C(=O)[N-]c2ccnc(F)c2F)cs1 ZINC000857698250 732155780 /nfs/dbraw/zinc/15/57/80/732155780.db2.gz OFOPJRBHCDHUEX-UHFFFAOYSA-N -1 3 370.381 3.093 20 0 FGADHM CCc1nc(CN2CCC(CNc3cc(Cl)[n-]c(=O)n3)CC2)cs1 ZINC000858403594 732211058 /nfs/dbraw/zinc/21/10/58/732211058.db2.gz HCTJSOXDSFEHKN-UHFFFAOYSA-N -1 3 367.906 3.179 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)c1ccns1 ZINC000859400516 732323511 /nfs/dbraw/zinc/32/35/11/732323511.db2.gz JVRZVPWNAFKOOU-ZETCQYMHSA-N -1 3 354.350 3.341 20 0 FGADHM Cc1cccc([O-])c1C(=O)N(C)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000859827871 732400435 /nfs/dbraw/zinc/40/04/35/732400435.db2.gz PNONZHSJXCKLES-UHFFFAOYSA-N -1 3 350.459 3.324 20 0 FGADHM CCOC(=O)C(C)(C)O[N-]C(=O)/C=C\c1csc(C(F)(F)F)c1 ZINC000862153511 732779312 /nfs/dbraw/zinc/77/93/12/732779312.db2.gz 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CCOC(=O)c1n[n-]c([C@H](CC(C)C)NCc2cc(C)cnc2Cl)n1 ZINC000895132105 742378802 /nfs/dbraw/zinc/37/88/02/742378802.db2.gz NZVBOJBHGHHCKO-ZDUSSCGKSA-N -1 3 365.865 3.215 20 0 FGADHM CCOC(=O)c1nc([C@@H](C)NCc2ccc(SC(F)(F)F)cc2)n[n-]1 ZINC000895237063 742390368 /nfs/dbraw/zinc/39/03/68/742390368.db2.gz SPQUXHJNELZPDF-SECBINFHSA-N -1 3 374.388 3.444 20 0 FGADHM CC(C)[C@H](O)[C@@H](NCc1ncc(Br)cc1[O-])c1ccccc1 ZINC000895436512 742411779 /nfs/dbraw/zinc/41/17/79/742411779.db2.gz DMIAUDPOWVKFPA-IRXDYDNUSA-N -1 3 365.271 3.398 20 0 FGADHM C[C@@H](C(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1)c1ccc(C(F)(F)F)cc1 ZINC000898220806 742761065 /nfs/dbraw/zinc/76/10/65/742761065.db2.gz CBPKWOVPQKMCQW-ZYHUDNBSSA-N -1 3 353.344 3.254 20 0 FGADHM O=C(C=Cc1csc(C(F)(F)F)c1)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000898225810 742762014 /nfs/dbraw/zinc/76/20/14/742762014.db2.gz HNCGZARXGLXOBG-SYBPUXJVSA-N -1 3 357.357 3.225 20 0 FGADHM Cc1cc(=O)[n-]c(CNC(=O)CCCc2cccc(C(F)(F)F)c2)n1 ZINC000898261066 742765835 /nfs/dbraw/zinc/76/58/35/742765835.db2.gz CJJBJXBVZPJOQU-UHFFFAOYSA-N -1 3 353.344 3.149 20 0 FGADHM CCc1[nH]nc(Cl)c1CN[C@@H](CSCCc1ccccc1)C(=O)[O-] ZINC000900033902 743046981 /nfs/dbraw/zinc/04/69/81/743046981.db2.gz ZMWSYVOCCGAXQT-HNNXBMFYSA-N -1 3 367.902 3.144 20 0 FGADHM Cc1sc(CCNCc2cccc(Br)c2F)nc1C(=O)[O-] ZINC000900059179 743052720 /nfs/dbraw/zinc/05/27/20/743052720.db2.gz JCKPKAWCRIUVIH-UHFFFAOYSA-N -1 3 373.247 3.384 20 0 FGADHM CC(C)Sc1ccc(Cl)cc1[N-]C(=O)c1cn([C@@H]2CC[C@H]2O)nn1 ZINC000900578112 743132130 /nfs/dbraw/zinc/13/21/30/743132130.db2.gz ZSZGHXJLSSLSAG-ZIAGYGMSSA-N -1 3 366.874 3.380 20 0 FGADHM CC(C)[C@]1(C(=O)[O-])CCN(Cc2c(C(F)(F)F)nc3n2CCCC3)C1 ZINC000901465965 743284876 /nfs/dbraw/zinc/28/48/76/743284876.db2.gz FZXOCXOESDGZIF-INIZCTEOSA-N -1 3 359.392 3.171 20 0 FGADHM Cc1nn2c(CN3CC[C@@](C(=O)[O-])(C(C)C)C3)c(C(C)C)nc2s1 ZINC000901467062 743285060 /nfs/dbraw/zinc/28/50/60/743285060.db2.gz PGSATIKCHDGCGG-KRWDZBQOSA-N -1 3 350.488 3.155 20 0 FGADHM Cc1c(Br)cncc1CN1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000901521664 743297187 /nfs/dbraw/zinc/29/71/87/743297187.db2.gz DQVFJJSFBZAMSZ-ZDUSSCGKSA-N -1 3 355.276 3.475 20 0 FGADHM CCCn1ncc([N-]S(=O)(=O)CC2Cc3ccccc3C2)c1C1CC1 ZINC000901672157 743614290 /nfs/dbraw/zinc/61/42/90/743614290.db2.gz IYPJXPPUNXQXTC-UHFFFAOYSA-N -1 3 359.495 3.327 20 0 FGADHM C[C@@]1(C(=O)[O-])CCCN(Cc2nc3cc(Br)ccc3o2)C1 ZINC000901702388 743622531 /nfs/dbraw/zinc/62/25/31/743622531.db2.gz ZICGSVCKLPVCBV-OAHLLOKOSA-N -1 3 353.216 3.277 20 0 FGADHM C[C@H](NCc1cccc(-c2ccc(Cl)cc2)c1)C(=O)N[C@@H](C)C(=O)[O-] ZINC000901743148 743629869 /nfs/dbraw/zinc/62/98/69/743629869.db2.gz GYNAPTJGWOLAIM-STQMWFEESA-N -1 3 360.841 3.074 20 0 FGADHM CO[C@H](CS(=O)(=O)[N-]c1ccc(Cl)c(NC(=O)C2CC2)c1)C(C)C ZINC000901745892 743630700 /nfs/dbraw/zinc/63/07/00/743630700.db2.gz QCVXKSXSGNTRMU-OAHLLOKOSA-N -1 3 374.890 3.101 20 0 FGADHM O=C([O-])c1ccc(CNC[C@@H]2CC2(Cl)Cl)c(Br)c1 ZINC000901781361 743639645 /nfs/dbraw/zinc/63/96/45/743639645.db2.gz JCWMGQQBVQGKPY-VIFPVBQESA-N -1 3 353.043 3.431 20 0 FGADHM COC[C@@](C)(CC(=O)[O-])NCc1cc(Br)c(Cl)s1 ZINC000901796718 743643415 /nfs/dbraw/zinc/64/34/15/743643415.db2.gz ZWQRRAIJAPCURP-LLVKDONJSA-N -1 3 356.669 3.133 20 0 FGADHM COC[C@](C)(CC(=O)[O-])NCc1cc(Br)c(Cl)s1 ZINC000901796720 743643454 /nfs/dbraw/zinc/64/34/54/743643454.db2.gz ZWQRRAIJAPCURP-NSHDSACASA-N -1 3 356.669 3.133 20 0 FGADHM O=C([O-])[C@@H]1CSCCN(Cc2ccc(Oc3ccc(F)cc3)nc2)C1 ZINC000901892282 743668728 /nfs/dbraw/zinc/66/87/28/743668728.db2.gz RJHDODPBBNOUHG-AWEZNQCLSA-N -1 3 362.426 3.263 20 0 FGADHM CCN(CC)[C@@H](CNC(=O)c1coc(/C=C/C(=O)[O-])c1)c1ccsc1 ZINC000901962335 743687167 /nfs/dbraw/zinc/68/71/67/743687167.db2.gz BXTPYIRLUGBRIG-JFDDCEBESA-N -1 3 362.451 3.252 20 0 FGADHM COc1ccc(-c2ccncc2)cc1CN1CCSC[C@@H]1CC(=O)[O-] ZINC000901984635 743692323 /nfs/dbraw/zinc/69/23/23/743692323.db2.gz OJLYNWDKPSGABI-KRWDZBQOSA-N -1 3 358.463 3.149 20 0 FGADHM COc1ccc(CN(C)[C@@H](Cc2ccccc2)C(=O)[O-])c(Cl)c1OC ZINC000902004288 743696961 /nfs/dbraw/zinc/69/69/61/743696961.db2.gz IGCHBJUGEPPGAG-HNNXBMFYSA-N -1 3 363.841 3.485 20 0 FGADHM CO[C@@H]1[C@H]2C[C@H]3CN(Cc4ccc(C(=O)[O-])c(Br)c4)[C@H]1[C@H]3C2 ZINC000902533133 743753743 /nfs/dbraw/zinc/75/37/43/743753743.db2.gz XWZAEAIRVOEBQK-GSJWJAIFSA-N -1 3 366.255 3.003 20 0 FGADHM O=C([O-])[C@H](NC[C@@H]1CC1(Cl)Cl)c1ccccc1OC(F)(F)F ZINC000902565233 743758621 /nfs/dbraw/zinc/75/86/21/743758621.db2.gz CENSXXAGDXJVJL-OIBJUYFYSA-N -1 3 358.143 3.494 20 0 FGADHM COC(=O)c1nc(C(=O)[N-]c2sccc2C(=O)C(C)(C)C)cs1 ZINC000903454557 743852939 /nfs/dbraw/zinc/85/29/39/743852939.db2.gz CYWNSTSENOKTSS-UHFFFAOYSA-N -1 3 352.437 3.472 20 0 FGADHM Cc1nc([C@H]2CCN(Cc3c(C(=O)[O-])sc4cccc(F)c43)C2)no1 ZINC000903626946 743863923 /nfs/dbraw/zinc/86/39/23/743863923.db2.gz KBXBNROEFRPYGP-JTQLQIEISA-N -1 3 361.398 3.420 20 0 FGADHM CC(=O)c1ccc(C[N-]S(=O)(=O)c2cscc2C(F)F)nc1C ZINC000903637203 743866078 /nfs/dbraw/zinc/86/60/78/743866078.db2.gz JGNUGDOYWXVFQK-UHFFFAOYSA-N -1 3 360.407 3.070 20 0 FGADHM O=C([O-])c1cnc([C@@H]2CCN(C[C@H](O)c3cccc(Cl)c3)C2)s1 ZINC000903925098 743898287 /nfs/dbraw/zinc/89/82/87/743898287.db2.gz RNTMRDUZBQZKLQ-YPMHNXCESA-N -1 3 352.843 3.018 20 0 FGADHM CCOCC[C@@H](NCc1ccc(Cl)cc1Br)C(=O)[O-] ZINC000904067828 743923789 /nfs/dbraw/zinc/92/37/89/743923789.db2.gz MUCFHOSXINJOIX-GFCCVEGCSA-N -1 3 350.640 3.072 20 0 FGADHM O=C([O-])c1cnc(CCNCc2c(Cl)cccc2N2CCCC2)s1 ZINC000905737063 744049303 /nfs/dbraw/zinc/04/93/03/744049303.db2.gz BJUNEJWJRJRRKE-UHFFFAOYSA-N -1 3 365.886 3.427 20 0 FGADHM CCOP(=O)(CCCN1CCOc2cc(C(=O)[O-])ccc2C1)OCC ZINC000905803989 744057430 /nfs/dbraw/zinc/05/74/30/744057430.db2.gz OKYXOJQXYVXDRO-UHFFFAOYSA-N -1 3 371.370 3.235 20 0 FGADHM Cc1ccc(CN(C)C)cc1[N-]S(=O)(=O)c1onc(C2CC2)c1Cl ZINC000906063744 744087449 /nfs/dbraw/zinc/08/74/49/744087449.db2.gz HPZGYYIOMRMVJH-UHFFFAOYSA-N -1 3 369.874 3.376 20 0 FGADHM COC(=O)c1c(F)ccc(F)c1[N-]C(=O)c1csc([C@H]2CCCO2)n1 ZINC000906282859 744111838 /nfs/dbraw/zinc/11/18/38/744111838.db2.gz DPJSGIXTPGUGAI-LLVKDONJSA-N -1 3 368.361 3.312 20 0 FGADHM CN(Cc1cccc(O)c1)C(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000906992313 744177871 /nfs/dbraw/zinc/17/78/71/744177871.db2.gz UQVSYOSBBDPVQE-UHFFFAOYSA-N -1 3 363.439 3.468 20 0 FGADHM C[C@H]1COC(C)(C)CN1C(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000907724673 744231685 /nfs/dbraw/zinc/23/16/85/744231685.db2.gz KESFARUCUOLBPT-JTQLQIEISA-N -1 3 355.460 3.130 20 0 FGADHM C[C@@H]1CC2(CC([N-]S(=O)(=O)c3cccc(Cl)c3Cl)C2)CO1 ZINC000907724087 744231821 /nfs/dbraw/zinc/23/18/21/744231821.db2.gz QRMYDNYTNNNBJX-NAUIOFCNSA-N -1 3 350.267 3.229 20 0 FGADHM CC1(C)C[C@@H]([N-]S(=O)(=O)c2cnccc2C(F)(F)F)CCS1 ZINC000907751766 744234259 /nfs/dbraw/zinc/23/42/59/744234259.db2.gz KOMWBQLUPQORCY-VIFPVBQESA-N -1 3 354.419 3.053 20 0 FGADHM CC1(C)C[C@@H]([N-]S(=O)(=O)c2cccnc2C(F)(F)F)CCS1 ZINC000907751779 744234351 /nfs/dbraw/zinc/23/43/51/744234351.db2.gz KTMPLFKBBQXHHY-VIFPVBQESA-N -1 3 354.419 3.053 20 0 FGADHM Cc1ccncc1CN(C)C(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000907903900 744245674 /nfs/dbraw/zinc/24/56/74/744245674.db2.gz GEQZFLFIYBMOKL-UHFFFAOYSA-N -1 3 362.455 3.466 20 0 FGADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N2CCC[C@@H]2[C@H]2CCCO2)s1 ZINC000908078257 744258463 /nfs/dbraw/zinc/25/84/63/744258463.db2.gz GFQLPLQFEJOXJG-VXGBXAGGSA-N -1 3 367.471 3.274 20 0 FGADHM C[C@H](c1ccc(Cl)cc1)N(C(=O)CN1CCC[C@@H](C(=O)[O-])C1)C1CC1 ZINC000909402807 744361235 /nfs/dbraw/zinc/36/12/35/744361235.db2.gz DTCOTYWOMZUGCK-UKRRQHHQSA-N -1 3 364.873 3.189 20 0 FGADHM O=C(CCCc1ccc(Br)s1)[N-]OCc1ccccn1 ZINC000909528857 744373357 /nfs/dbraw/zinc/37/33/57/744373357.db2.gz ZVKKAYWKPTXVPH-UHFFFAOYSA-N -1 3 355.257 3.476 20 0 FGADHM C[C@@H](NC(=O)c1ccsc1C(F)F)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000935971649 761982921 /nfs/dbraw/zinc/98/29/21/761982921.db2.gz LOVFJMWRNXWHBS-DTWKUNHWSA-N -1 3 369.393 3.179 20 0 FGADHM CN(C)CCN(Cc1ccccc1)C(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000911125542 757120062 /nfs/dbraw/zinc/12/00/62/757120062.db2.gz YDNUXYGQWXUTEH-UHFFFAOYSA-N -1 3 360.841 3.242 20 0 FGADHM CCN(CC)[C@@H](CNC(=O)/C=C\c1cc(C(=O)[O-])co1)c1ccsc1 ZINC000911190980 757127983 /nfs/dbraw/zinc/12/79/83/757127983.db2.gz KPCIULBTVQLUFR-KJPDOMRESA-N -1 3 362.451 3.252 20 0 FGADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N2CC[C@@H](O)CC23CCC3)s1 ZINC000911197308 757130424 /nfs/dbraw/zinc/13/04/24/757130424.db2.gz KRZYEGCGNHGHMF-LLVKDONJSA-N -1 3 367.471 3.010 20 0 FGADHM Cc1oc(C(=O)[O-])cc1C(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000911300584 757151088 /nfs/dbraw/zinc/15/10/88/757151088.db2.gz QIKPUSYLQUVKGA-UHFFFAOYSA-N -1 3 364.829 3.144 20 0 FGADHM C[C@@H](CNC(=O)c1cc(C(=O)[O-])ccc1Cl)N(C)Cc1ccccc1 ZINC000911376498 757158553 /nfs/dbraw/zinc/15/85/53/757158553.db2.gz HMIZPVPMVOYNPE-ZDUSSCGKSA-N -1 3 360.841 3.289 20 0 FGADHM Cc1cc(C(=O)NC[C@H]2CCCN(C)[C@H]2c2cccs2)oc1C(=O)[O-] ZINC000911438516 757164993 /nfs/dbraw/zinc/16/49/93/757164993.db2.gz GZOIFJWIOWVAOF-IUODEOHRSA-N -1 3 362.451 3.161 20 0 FGADHM CC(C)(C)OC(=O)c1cc([N-]C(=O)c2conc2C(F)(F)F)ccn1 ZINC000912337196 757309981 /nfs/dbraw/zinc/30/99/81/757309981.db2.gz WDRDJHUNVHTQBO-UHFFFAOYSA-N -1 3 357.288 3.296 20 0 FGADHM C[C@@H](NC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1)c1cscn1 ZINC000912391938 757319276 /nfs/dbraw/zinc/31/92/76/757319276.db2.gz VHRPQRJJODZOLF-MRVPVSSYSA-N -1 3 354.457 3.438 20 0 FGADHM CCC(F)(F)C(=O)[N-][C@@H](c1nccn1C)c1ccc(Br)cc1 ZINC000912678912 757361966 /nfs/dbraw/zinc/36/19/66/757361966.db2.gz QGFFKDWYLVXUKW-GFCCVEGCSA-N -1 3 372.213 3.434 20 0 FGADHM CCCC[C@H](CC)CNC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000914456984 757778948 /nfs/dbraw/zinc/77/89/48/757778948.db2.gz FZNAZNLLQCKGFF-ZDUSSCGKSA-N -1 3 370.490 3.213 20 0 FGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)O[C@H](C)c2ccccc2)ccc1F ZINC000914716807 757829503 /nfs/dbraw/zinc/82/95/03/757829503.db2.gz WPDNHZITUWKGGV-CYBMUJFWSA-N -1 3 365.426 3.430 20 0 FGADHM O=C([N-]c1cc(Cl)ccc1F)c1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000914752671 757834905 /nfs/dbraw/zinc/83/49/05/757834905.db2.gz GMRXWOVIEXIHGA-UHFFFAOYSA-N -1 3 372.805 3.109 20 0 FGADHM C[C@H]([N-]S(=O)(=O)CC1(C)CCCCC1)c1noc(C(F)(F)F)n1 ZINC000916390932 758077460 /nfs/dbraw/zinc/07/74/60/758077460.db2.gz IGKDYZJHIKBOGQ-VIFPVBQESA-N -1 3 355.382 3.039 20 0 FGADHM C[C@H](OC(=O)c1ccc([N-]S(C)(=O)=O)cc1)c1ccc(F)cc1F ZINC000918746477 758365075 /nfs/dbraw/zinc/36/50/75/758365075.db2.gz DBWAXYZHKFHBJG-JTQLQIEISA-N -1 3 355.362 3.254 20 0 FGADHM COC(=O)c1sc2[n-]c(CSc3cc(C)ccn3)nc(=O)c2c1C ZINC000918752029 758366468 /nfs/dbraw/zinc/36/64/68/758366468.db2.gz QGVFZZPRCWTNDE-UHFFFAOYSA-N -1 3 361.448 3.075 20 0 FGADHM CCCn1cc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)ccc1=O ZINC000920246079 758526715 /nfs/dbraw/zinc/52/67/15/758526715.db2.gz WYPDJNNCGJYVAJ-UHFFFAOYSA-N -1 3 361.250 3.366 20 0 FGADHM C[C@@H](OC(=O)c1cccc2[n-]c(C(F)F)nc21)C(=O)NC1CCCC1 ZINC000924083389 759259048 /nfs/dbraw/zinc/25/90/48/759259048.db2.gz IIFZOKALGJACMZ-SECBINFHSA-N -1 3 351.353 3.105 20 0 FGADHM Cc1nc(C)c(CC(=O)Nc2nc3c(s2)CCc2sccc2-3)c(=O)[n-]1 ZINC000928680636 760235102 /nfs/dbraw/zinc/23/51/02/760235102.db2.gz BHCVBBVCZLLLIF-UHFFFAOYSA-N -1 3 372.475 3.264 20 0 FGADHM C[C@H](CN1CCN(CC(F)(F)F)C[C@H](C)C1)C(=O)c1ccc([O-])cc1 ZINC000930658071 760665633 /nfs/dbraw/zinc/66/56/33/760665633.db2.gz WHQDNRLDVRNTAM-ZIAGYGMSSA-N -1 3 358.404 3.027 20 0 FGADHM Cc1nc2c(c(=O)[n-]1)CN([C@H](C)C(=O)Nc1cc(Cl)ccc1Cl)C2 ZINC000931318038 760827070 /nfs/dbraw/zinc/82/70/70/760827070.db2.gz PWSDNXHVWXOPRV-MRVPVSSYSA-N -1 3 367.236 3.140 20 0 FGADHM CC(C)(C)Sc1ccc(NC(=O)NCCCc2c[n-][nH]c2=O)cc1F ZINC000931607453 760910532 /nfs/dbraw/zinc/91/05/32/760910532.db2.gz HGSHUVOYTGVMBM-LLVKDONJSA-N -1 3 366.462 3.350 20 0 FGADHM O=C([N-][C@@H]1CCCC[C@H]1NC(=O)c1cc(Cl)sc1Cl)C(F)F ZINC000976113045 763262228 /nfs/dbraw/zinc/26/22/28/763262228.db2.gz BWZDQVQIUQOTDE-HTQZYQBOSA-N -1 3 371.236 3.477 20 0 FGADHM Cc1sccc1C(=O)N[C@@H]1CC[C@H](CNC(=O)c2ccccc2[O-])C1 ZINC000980942698 763443792 /nfs/dbraw/zinc/44/37/92/763443792.db2.gz JOSYGNFWXMDSPS-UONOGXRCSA-N -1 3 358.463 3.091 20 0 FGADHM C[C@@H]1[C@@H]([N-]C(=O)C(C)(F)F)CCN1C(=O)c1ccc(F)c(C(F)F)c1 ZINC000987211021 764096570 /nfs/dbraw/zinc/09/65/70/764096570.db2.gz AXOQQOOCTWBXQS-PELKAZGASA-N -1 3 364.314 3.138 20 0 FGADHM C[C@@H]1CCN(C(=O)c2ccccc2[O-])[C@H](CNc2cncc(Cl)n2)C1 ZINC001048024277 766679485 /nfs/dbraw/zinc/67/94/85/766679485.db2.gz SRIZNNCQNAXIHR-OLZOCXBDSA-N -1 3 360.845 3.188 20 0 FGADHM CCCc1nsc(NC[C@@H]2CN(C(=O)c3ccccc3[O-])C[C@H]2C)n1 ZINC001053641975 766991793 /nfs/dbraw/zinc/99/17/93/766991793.db2.gz YOOXURFQFFUPNX-CHWSQXEVSA-N -1 3 360.483 3.016 20 0 FGADHM COc1ccc(C(=O)NCc2cc(F)ccc2Br)c([O-])c1 ZINC000059799039 205282115 /nfs/dbraw/zinc/28/21/15/205282115.db2.gz KLTDVNGRBDBNPZ-UHFFFAOYSA-N -1 3 354.175 3.232 20 0 FGADHM CN(C(=O)c1ccc([O-])c(Cl)c1)C1CCN(CCc2ccccn2)CC1 ZINC000183524695 257367195 /nfs/dbraw/zinc/36/71/95/257367195.db2.gz HJEKNRLPMQSVSA-UHFFFAOYSA-N -1 3 373.884 3.220 20 0 FGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@H]3CCCSC3)s2)cs1 ZINC000121254042 494667163 /nfs/dbraw/zinc/66/71/63/494667163.db2.gz XDANWZMJGXTJDN-JTQLQIEISA-N -1 3 360.551 3.354 20 0 FGADHM CCCCOCCC[N-]S(=O)(=O)c1sc(C)cc1Br ZINC000462469204 502450966 /nfs/dbraw/zinc/45/09/66/502450966.db2.gz VXOCAMYZVWXCIB-UHFFFAOYSA-N -1 3 370.334 3.304 20 0 FGADHM Cc1cc(C)c2ncc(C(=O)[O-])c(N3CC[C@@](O)(C(F)(F)F)C3)c2c1 ZINC000567977580 505587806 /nfs/dbraw/zinc/58/78/06/505587806.db2.gz DWXRASPDJGTLJG-INIZCTEOSA-N -1 3 354.328 3.053 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2)C1CCCCC1 ZINC000573653356 505588435 /nfs/dbraw/zinc/58/84/35/505588435.db2.gz XEJNHVHGMRFGFL-LLVKDONJSA-N -1 3 370.902 3.472 20 0 FGADHM O=C(Nc1c([O-])cccc1Cl)[C@@H]1CCCN(C(=O)NC2CCCC2)C1 ZINC000579649716 505594369 /nfs/dbraw/zinc/59/43/69/505594369.db2.gz LYCAAMIEFVOTBA-GFCCVEGCSA-N -1 3 365.861 3.348 20 0 FGADHM O=C1CCCc2ccc(S(=O)(=O)[N-][C@H](c3ccccc3)C(F)F)cc21 ZINC000570885561 505602608 /nfs/dbraw/zinc/60/26/08/505602608.db2.gz OAIZNYOLTCJPLH-QGZVFWFLSA-N -1 3 365.401 3.490 20 0 FGADHM CC(C)[C@@H](C(=O)N=c1[n-]n(C)cc1Br)c1ccc(F)cc1 ZINC000573725857 505604674 /nfs/dbraw/zinc/60/46/74/505604674.db2.gz FSMDIAWRDYVBMM-CYBMUJFWSA-N -1 3 354.223 3.122 20 0 FGADHM CC[C@@H](C)Oc1cc(C)ccc1CNC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000576835726 505606676 /nfs/dbraw/zinc/60/66/76/505606676.db2.gz LJCQUVAQXASSGD-CYBMUJFWSA-N -1 3 355.438 3.475 20 0 FGADHM O=C(N[C@@H]1CCC[C@H](c2nc3ccccc3[nH]2)C1)c1c([O-])cccc1O ZINC000579715173 505607451 /nfs/dbraw/zinc/60/74/51/505607451.db2.gz RFZCJEIWZDZLAS-QWHCGFSZSA-N -1 3 351.406 3.430 20 0 FGADHM O=C([O-])c1nc(-c2ccccc2)oc1CN1CCC[C@H](OCC2CC2)C1 ZINC000568067562 505607669 /nfs/dbraw/zinc/60/76/69/505607669.db2.gz ZFZIOWXAYNDSAE-INIZCTEOSA-N -1 3 356.422 3.431 20 0 FGADHM C[C@H](c1ccccc1)[C@H](O)CN(CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000568067321 505607903 /nfs/dbraw/zinc/60/79/03/505607903.db2.gz ROLNZJFEZNANDH-AUUYWEPGSA-N -1 3 363.404 3.406 20 0 FGADHM C[C@@H](c1ccccc1)[C@H](O)CN(CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000568067322 505608072 /nfs/dbraw/zinc/60/80/72/505608072.db2.gz ROLNZJFEZNANDH-IFXJQAMLSA-N -1 3 363.404 3.406 20 0 FGADHM CN(CC1=Nc2ccccc2S(=O)(=O)[N-]1)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000570927369 505613825 /nfs/dbraw/zinc/61/38/25/505613825.db2.gz LDEUWWYCFIJHEV-SJLPKXTDSA-N -1 3 369.490 3.277 20 0 FGADHM Cc1cc(C(=O)N2CCN(c3nccc4sccc43)CC2)ccc1[O-] ZINC000576923280 505625738 /nfs/dbraw/zinc/62/57/38/505625738.db2.gz RLRGMUYAZAIINX-UHFFFAOYSA-N -1 3 353.447 3.273 20 0 FGADHM CO[C@H](CS(=O)(=O)[N-]c1ccc(OC(F)F)c(Cl)c1)C1CC1 ZINC000576942012 505630829 /nfs/dbraw/zinc/63/08/29/505630829.db2.gz QRQNUMJODYGLQZ-GFCCVEGCSA-N -1 3 355.790 3.108 20 0 FGADHM CC(C)(C)OC(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)CCC1(C)CC1 ZINC000573848023 505634810 /nfs/dbraw/zinc/63/48/10/505634810.db2.gz UXJNELYGZRNBQZ-MRXNPFEDSA-N -1 3 367.511 3.049 20 0 FGADHM C[C@@H]1Cc2ccccc2N1C(=O)CSCc1cc(=O)[n-]c(C2CC2)n1 ZINC000568372872 505678960 /nfs/dbraw/zinc/67/89/60/505678960.db2.gz BBOKEQBFIAXWGD-GFCCVEGCSA-N -1 3 355.463 3.271 20 0 FGADHM CCOc1ccccc1CCC(=O)Nc1n[n-]c(-c2ccccc2OC)n1 ZINC000048011987 493772346 /nfs/dbraw/zinc/77/23/46/493772346.db2.gz HMNNIALYADZOAY-UHFFFAOYSA-N -1 3 366.421 3.450 20 0 FGADHM CC(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccccc1[O-] ZINC000048121491 493787674 /nfs/dbraw/zinc/78/76/74/493787674.db2.gz MDIMWFLKYHHHQP-GOSISDBHSA-N -1 3 365.433 3.196 20 0 FGADHM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3cc(C)ccc3F)cc2C[C@@H]1C ZINC000028678949 493797536 /nfs/dbraw/zinc/79/75/36/493797536.db2.gz BLHQUWMFWDJXSF-LBPRGKRZSA-N -1 3 362.426 3.232 20 0 FGADHM CCN(c1ccc(NC(=O)CCc2c(C)nc(C)[n-]c2=O)cc1)C(C)C ZINC000057790359 493798488 /nfs/dbraw/zinc/79/84/88/493798488.db2.gz WNYCQTPLPYQCPQ-UHFFFAOYSA-N -1 3 356.470 3.193 20 0 FGADHM CCc1noc(CSc2n[n-]c(COc3ccc(Cl)cc3)n2)n1 ZINC000029140342 493819466 /nfs/dbraw/zinc/81/94/66/493819466.db2.gz ZJMWQLBWRVEZLL-UHFFFAOYSA-N -1 3 351.819 3.275 20 0 FGADHM O=S(=O)([N-]Cc1csc(CCc2ccccc2)n1)c1cccs1 ZINC000081076915 493826094 /nfs/dbraw/zinc/82/60/94/493826094.db2.gz 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CCc1noc(CC)c1C[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000088780300 494262131 /nfs/dbraw/zinc/26/21/31/494262131.db2.gz WEOICBZIYYOXTG-UHFFFAOYSA-N -1 3 362.373 3.297 20 0 FGADHM CC(C)[C@H](NC(=O)Cc1ccc(Br)cc1[O-])C1(CO)CCC1 ZINC000571344416 505711276 /nfs/dbraw/zinc/71/12/76/505711276.db2.gz ILEMCHGKIKUDSY-INIZCTEOSA-N -1 3 370.287 3.001 20 0 FGADHM Cc1ccc(CC(=O)NCc2ccc([O-])c(Br)c2)cc1O ZINC000089457750 494310429 /nfs/dbraw/zinc/31/04/29/494310429.db2.gz QOIWGGPXEYZGIJ-UHFFFAOYSA-N -1 3 350.212 3.028 20 0 FGADHM CS(=O)(=O)[N-]c1ccc(C(=O)N[C@H](c2ccco2)c2ccccc2)cc1 ZINC000055195093 494313165 /nfs/dbraw/zinc/31/31/65/494313165.db2.gz CDSBWSKYEUIKBQ-SFHVURJKSA-N -1 3 370.430 3.171 20 0 FGADHM COc1ccc([C@H](NC(=O)c2cc(NC(C)=O)ccc2[O-])C2CC2)cc1 ZINC000055219393 494315900 /nfs/dbraw/zinc/31/59/00/494315900.db2.gz VOILIADRPKKTCH-LJQANCHMSA-N -1 3 354.406 3.240 20 0 FGADHM CCCCN(C(=O)c1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1)C1CCCCC1 ZINC000580250996 505712932 /nfs/dbraw/zinc/71/29/32/505712932.db2.gz QADQAJDQJGFTLV-OAQYLSRUSA-N -1 3 371.481 3.316 20 0 FGADHM CC[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1F)c1ccc2c(c1)OCCO2 ZINC000055296799 494323738 /nfs/dbraw/zinc/32/37/38/494323738.db2.gz CXNGADLWPMMWKK-CQSZACIVSA-N -1 3 369.389 3.166 20 0 FGADHM Cc1ccc(-c2nsc([N-]C(=O)c3c(C)nn4cccnc34)n2)s1 ZINC000066412888 494330034 /nfs/dbraw/zinc/33/00/34/494330034.db2.gz DHBAEKYGYALGLV-UHFFFAOYSA-N -1 3 356.436 3.178 20 0 FGADHM C[C@H](CC(C)(C)C)c1nc(-c2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)no1 ZINC000571363362 505715085 /nfs/dbraw/zinc/71/50/85/505715085.db2.gz YKWRXRGXCYRTOH-NSPYISDASA-N -1 3 356.426 3.331 20 0 FGADHM CC[C@@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000015338787 494349224 /nfs/dbraw/zinc/34/92/24/494349224.db2.gz CTPOBQPTZFGPFP-GFCCVEGCSA-N -1 3 350.415 3.155 20 0 FGADHM Cc1ccc(C(=O)NCc2cccc(C(=O)NCc3ccco3)c2)c([O-])c1 ZINC000055481447 494350422 /nfs/dbraw/zinc/35/04/22/494350422.db2.gz HIQXJFBTFLCEMG-UHFFFAOYSA-N -1 3 364.401 3.154 20 0 FGADHM O=C(Nc1cccc(Cl)c1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000078745752 494354584 /nfs/dbraw/zinc/35/45/84/494354584.db2.gz MYUTUWVZEZFMPD-UHFFFAOYSA-N -1 3 359.813 3.036 20 0 FGADHM COC(=O)c1nc[n-]c1NC(=O)[C@@H](C)Cc1ccc(Cl)cc1Cl ZINC000568526493 505716215 /nfs/dbraw/zinc/71/62/15/505716215.db2.gz AHKIBBRNCKQKCR-QMMMGPOBSA-N -1 3 356.209 3.320 20 0 FGADHM COC(=O)c1[n-]cnc1NC(=O)[C@@H](C)Cc1ccc(Cl)cc1Cl ZINC000568526493 505716218 /nfs/dbraw/zinc/71/62/18/505716218.db2.gz AHKIBBRNCKQKCR-QMMMGPOBSA-N -1 3 356.209 3.320 20 0 FGADHM CCCOc1ccc(S(=O)(=O)[N-]c2cccc(-n3cccn3)c2)cc1 ZINC000055589798 494367690 /nfs/dbraw/zinc/36/76/90/494367690.db2.gz JDIDJWKUIBVQFY-UHFFFAOYSA-N -1 3 357.435 3.462 20 0 FGADHM O=C([N-]O[C@H]1CCCCO1)C1CCN(c2nc3ccccc3s2)CC1 ZINC000066645479 494375417 /nfs/dbraw/zinc/37/54/17/494375417.db2.gz DMAWDGLCKXVUBD-INIZCTEOSA-N -1 3 361.467 3.087 20 0 FGADHM CCN(C(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)[C@H]1CCCC[C@H]1C ZINC000066674644 494380494 /nfs/dbraw/zinc/38/04/94/494380494.db2.gz RHLOLJKKJFPYBP-WBMJQRKESA-N -1 3 356.463 3.238 20 0 FGADHM CSc1nc2ccc(NC(=O)CCc3c(C)nc(C)[n-]c3=O)cc2s1 ZINC000016468540 494390660 /nfs/dbraw/zinc/39/06/60/494390660.db2.gz DDWGJDRTEHRYCS-UHFFFAOYSA-N -1 3 374.491 3.290 20 0 FGADHM C[C@@H]1C[C@H](c2cccc(F)c2)N(C[C@H](O)COc2ccc(C(=O)[O-])cc2)C1 ZINC000577404343 505720581 /nfs/dbraw/zinc/72/05/81/505720581.db2.gz JWBVGXDCIWXIDH-HEFCMCLBSA-N -1 3 373.424 3.347 20 0 FGADHM Cc1nc(-c2ccc(NC(=O)NCC3CCSCC3)cc2)cc(=O)[n-]1 ZINC000577407256 505721428 /nfs/dbraw/zinc/72/14/28/505721428.db2.gz KVDZVWLPTVQBKK-UHFFFAOYSA-N -1 3 358.467 3.422 20 0 FGADHM Cc1c(C(=O)Nc2ccccc2[O-])nnn1-c1ccc(OC(C)C)cc1 ZINC000066927293 494439783 /nfs/dbraw/zinc/43/97/83/494439783.db2.gz WPUKZQVORYEEKG-UHFFFAOYSA-N -1 3 352.394 3.321 20 0 FGADHM COc1cc(C)c([C@@H](C)[N-]S(=O)(=O)c2c(F)cccc2F)cc1OC ZINC000056058758 494447664 /nfs/dbraw/zinc/44/76/64/494447664.db2.gz ZGZVENXLFZSGFW-LLVKDONJSA-N -1 3 371.405 3.330 20 0 FGADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)CCc1ccc(OC(C)C)cc1 ZINC000056120312 494457374 /nfs/dbraw/zinc/45/73/74/494457374.db2.gz YXTNQVXMHJUSRA-ZDUSSCGKSA-N -1 3 366.483 3.378 20 0 FGADHM C[C@@H]1CCN(Cc2nc3ccsc3c(=O)[n-]2)C[C@@H]1C(=O)OC(C)(C)C ZINC000577390316 505719158 /nfs/dbraw/zinc/71/91/58/505719158.db2.gz BWKLNMNQNCCKIT-NEPJUHHUSA-N -1 3 363.483 3.197 20 0 FGADHM C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2cc(=O)c3ccccc3[n-]2)C1 ZINC000056168426 494464915 /nfs/dbraw/zinc/46/49/15/494464915.db2.gz XLCFRNGLVICTGI-WBVHZDCISA-N -1 3 361.445 3.093 20 0 FGADHM CCc1ccc(C(C)(C)CNC(=O)c2ccc([N-]S(C)(=O)=O)cc2)cc1 ZINC000079699171 494510899 /nfs/dbraw/zinc/51/08/99/494510899.db2.gz PNIUHNRMRGAQJX-UHFFFAOYSA-N -1 3 374.506 3.328 20 0 FGADHM Cc1cc(Sc2ccccc2)ccc1NC(=O)CC[C@H]1NC(=O)[N-]C1=O ZINC000056473686 494512571 /nfs/dbraw/zinc/51/25/71/494512571.db2.gz UXJDQYWMJROMKC-MRXNPFEDSA-N -1 3 369.446 3.073 20 0 FGADHM COc1ccc([O-])c(C(=O)N2CC[C@@H](OCCCc3ccccc3)C2)c1 ZINC000079717158 494514137 /nfs/dbraw/zinc/51/41/37/494514137.db2.gz ODYBVNGHNZWLRE-GOSISDBHSA-N -1 3 355.434 3.265 20 0 FGADHM C[C@]1(c2ccc(NC(=O)c3cc4ccccc4s3)cc2)NC(=O)[N-]C1=O ZINC000046411714 494525668 /nfs/dbraw/zinc/52/56/68/494525668.db2.gz GFQMHQQXOROQLG-LJQANCHMSA-N -1 3 365.414 3.208 20 0 FGADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1ccnc(OC2CCCCC2)c1 ZINC000091171931 494548780 /nfs/dbraw/zinc/54/87/80/494548780.db2.gz TZHNWKFMKWYTSE-UHFFFAOYSA-N -1 3 355.320 3.182 20 0 FGADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1ccnc(OC2CCCCC2)c1 ZINC000091171931 494548784 /nfs/dbraw/zinc/54/87/84/494548784.db2.gz TZHNWKFMKWYTSE-UHFFFAOYSA-N -1 3 355.320 3.182 20 0 FGADHM O=C([O-])c1ccccc1CN1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000571409386 505727432 /nfs/dbraw/zinc/72/74/32/505727432.db2.gz DYMNSOWOLSTXRC-UHFFFAOYSA-N -1 3 353.344 3.437 20 0 FGADHM COC(=O)c1nsc([N-]C(=O)c2sc3cccc(F)c3c2C)n1 ZINC000577443991 505728322 /nfs/dbraw/zinc/72/83/22/505728322.db2.gz YKALLBVSHYKTPH-UHFFFAOYSA-N -1 3 351.384 3.239 20 0 FGADHM COC(=O)c1sccc1S(=O)(=O)[N-]CCCc1ccc(C)cc1C ZINC000023402725 494565103 /nfs/dbraw/zinc/56/51/03/494565103.db2.gz NQNTVLXKOLTWCM-UHFFFAOYSA-N -1 3 367.492 3.063 20 0 FGADHM O=S(=O)([N-]Cc1ccc(OCC(F)(F)F)cc1)c1ccccc1F ZINC000023440809 494567301 /nfs/dbraw/zinc/56/73/01/494567301.db2.gz QENFUJMQPFPRKG-UHFFFAOYSA-N -1 3 363.332 3.245 20 0 FGADHM COc1cc2c(cc1CN[C@@H](CSCC=C(C)C)C(=O)[O-])O[C@H](C)C2 ZINC000571419702 505729711 /nfs/dbraw/zinc/72/97/11/505729711.db2.gz FAAAWWIBJLLNJM-CJNGLKHVSA-N -1 3 365.495 3.261 20 0 FGADHM COC[C@@H]1CCCN(C(=O)c2cc(OCc3ccccc3)ccc2[O-])C1 ZINC000131377805 494599081 /nfs/dbraw/zinc/59/90/81/494599081.db2.gz AFSFOTQYTSNTAW-QGZVFWFLSA-N -1 3 355.434 3.470 20 0 FGADHM CCOc1ccc([N-]S(=O)(=O)c2cc(C)c(OC)cc2C)cc1CO ZINC000067660079 494602027 /nfs/dbraw/zinc/60/20/27/494602027.db2.gz ABPRXXDRHGISOZ-UHFFFAOYSA-N -1 3 365.451 3.004 20 0 FGADHM FC(F)(F)c1nc(=NCC2(N3CCSCC3)CCCCC2)s[n-]1 ZINC000571427980 505730990 /nfs/dbraw/zinc/73/09/90/505730990.db2.gz LNDGRXWFAARTJO-UHFFFAOYSA-N -1 3 366.478 3.142 20 0 FGADHM FC(F)(F)c1nsc(=NCC2(N3CCSCC3)CCCCC2)[n-]1 ZINC000571427980 505730993 /nfs/dbraw/zinc/73/09/93/505730993.db2.gz LNDGRXWFAARTJO-UHFFFAOYSA-N -1 3 366.478 3.142 20 0 FGADHM COc1ccc(-c2nsc([N-]C(=O)c3cn(CCC(C)C)nn3)n2)cc1 ZINC000131433960 494616667 /nfs/dbraw/zinc/61/66/67/494616667.db2.gz NQFYYOPCQVTQHC-UHFFFAOYSA-N -1 3 372.454 3.104 20 0 FGADHM COc1cccc(C(=O)N[C@@H](C)c2ccc(-n3ccnc3C)cc2)c1[O-] ZINC000121145342 494617677 /nfs/dbraw/zinc/61/76/77/494617677.db2.gz VYAWVIWTPCNNLE-ZDUSSCGKSA-N -1 3 351.406 3.386 20 0 FGADHM COc1ccc(Cl)cc1NC(=O)CC[S@@](=O)c1ccc([O-])cc1 ZINC000108083194 494643553 /nfs/dbraw/zinc/64/35/53/494643553.db2.gz UEFBXIILDUGYMS-QHCPKHFHSA-N -1 3 353.827 3.191 20 0 FGADHM O=C(NCc1ccc(Br)s1)c1c[n-]c2ccccc2c1=O ZINC000024621290 494648039 /nfs/dbraw/zinc/64/80/39/494648039.db2.gz MLXZDAAHMCBLKR-UHFFFAOYSA-N -1 3 363.236 3.282 20 0 FGADHM COC[C@@H](NCc1cc(Br)c([O-])c(OC)c1)c1ccco1 ZINC000080239862 494649151 /nfs/dbraw/zinc/64/91/51/494649151.db2.gz LEPSAEAORJIWMK-GFCCVEGCSA-N -1 3 356.216 3.234 20 0 FGADHM O=C(Cc1cccc(OCc2cccnc2)c1)NCc1ccc([O-])c(F)c1 ZINC000092516230 494654019 /nfs/dbraw/zinc/65/40/19/494654019.db2.gz JYFJPKZCFQVGSR-UHFFFAOYSA-N -1 3 366.392 3.364 20 0 FGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000121235203 494659263 /nfs/dbraw/zinc/65/92/63/494659263.db2.gz QRROOJZWIJIWGL-NWDGAFQWSA-N -1 3 371.867 3.023 20 0 FGADHM C[C@@]1(C[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)CCCS1 ZINC000126167057 494659938 /nfs/dbraw/zinc/65/99/38/494659938.db2.gz HNPJYEFHMRRPAD-LBPRGKRZSA-N -1 3 357.394 3.409 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1ccccc1C(F)(F)F)C(=O)Nc1ccccc1 ZINC000024812273 494667198 /nfs/dbraw/zinc/66/71/98/494667198.db2.gz QXRYLCVDNOYLNS-NSHDSACASA-N -1 3 372.368 3.011 20 0 FGADHM O=C(C[C@@H]1C(=O)Nc2ccccc21)Nc1ccc(Br)cc1[O-] ZINC000126206408 494672687 /nfs/dbraw/zinc/67/26/87/494672687.db2.gz MOHZBCJDSGWXKI-NSHDSACASA-N -1 3 361.195 3.219 20 0 FGADHM CCC[C@@H](C(=O)Nc1cccc([C@]2(C)NC(=O)[N-]C2=O)c1)c1ccccc1 ZINC000047299045 494676724 /nfs/dbraw/zinc/67/67/24/494676724.db2.gz JAGDWSMIZLFALO-UTKZUKDTSA-N -1 3 365.433 3.264 20 0 FGADHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H](C)Oc3ccc(F)cc3)c2)n1 ZINC000047317641 494678622 /nfs/dbraw/zinc/67/86/22/494678622.db2.gz QJWFTYHAQCLCMQ-CYBMUJFWSA-N -1 3 367.380 3.290 20 0 FGADHM CCc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(OCCOC)c2)cc1 ZINC000024956325 494683418 /nfs/dbraw/zinc/68/34/18/494683418.db2.gz IQDBLDYDUDOJRS-UHFFFAOYSA-N -1 3 365.451 3.084 20 0 FGADHM CSCCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000067899611 494687983 /nfs/dbraw/zinc/68/79/83/494687983.db2.gz JJUDRZHQTIIZCT-UHFFFAOYSA-N -1 3 365.476 3.164 20 0 FGADHM Cc1noc(C2CCN(Cc3cc([O-])ccc3Br)CC2)n1 ZINC000091836402 494699391 /nfs/dbraw/zinc/69/93/91/494699391.db2.gz VRTHNTRHEVXOLO-UHFFFAOYSA-N -1 3 352.232 3.226 20 0 FGADHM CC(C)C[C@@H](NC(=O)c1c[n-]c2ccccc2c1=O)C(=O)OC(C)(C)C ZINC000131706163 494706504 /nfs/dbraw/zinc/70/65/04/494706504.db2.gz JEWKYZBNTZFNIQ-MRXNPFEDSA-N -1 3 358.438 3.014 20 0 FGADHM Cc1ccc([O-])c(CN2CCN(Cc3csc(C(C)(C)C)n3)CC2)n1 ZINC000091949750 494730623 /nfs/dbraw/zinc/73/06/23/494730623.db2.gz GQCLWSRTSAPFDQ-UHFFFAOYSA-N -1 3 360.527 3.167 20 0 FGADHM COC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc(C)cc1Cl)c1cccs1 ZINC000025372453 494732080 /nfs/dbraw/zinc/73/20/80/494732080.db2.gz XGRHSJXKAAOKCU-GFCCVEGCSA-N -1 3 373.883 3.293 20 0 FGADHM O=S(=O)([N-][C@@H](CCCO)c1ccccc1)c1cccc2c1N=S=N2 ZINC000121402281 494740563 /nfs/dbraw/zinc/74/05/63/494740563.db2.gz UJZYPKZGRVMTPW-ZDUSSCGKSA-N -1 3 363.464 3.205 20 0 FGADHM COc1ccc([C@@H](NC(=O)c2ccc3n[n-]nc3c2)c2ccccc2)cc1 ZINC000025448585 494743571 /nfs/dbraw/zinc/74/35/71/494743571.db2.gz QXMLILBUMWDJJG-FQEVSTJZSA-N -1 3 358.401 3.486 20 0 FGADHM Cc1c(C(=O)[N-]c2nc(C(C)(C)C)ns2)nnn1-c1cccc(C)c1 ZINC000068071684 494750087 /nfs/dbraw/zinc/75/00/87/494750087.db2.gz KCLKCSZOQIIEDA-UHFFFAOYSA-N -1 3 356.455 3.285 20 0 FGADHM COc1cc(Br)c(CN2C[C@@H](C)[C@](C)(C(=O)[O-])C2)cc1OC ZINC000580337636 505735817 /nfs/dbraw/zinc/73/58/17/505735817.db2.gz LYUBKDAMYSDFEF-QLJPJBMISA-N -1 3 372.259 3.009 20 0 FGADHM O=C(Cc1cncc([O-])c1)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000574292909 505739968 /nfs/dbraw/zinc/73/99/68/505739968.db2.gz VILLHQLOPMISNN-CYBMUJFWSA-N -1 3 366.248 3.032 20 0 FGADHM CSc1nc(C(C)C)nc(C)c1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000108710248 494767770 /nfs/dbraw/zinc/76/77/70/494767770.db2.gz RKARYTJTCHDTLC-UHFFFAOYSA-N -1 3 369.454 3.063 20 0 FGADHM CSc1nc(C(C)C)nc(C)c1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000108710248 494767777 /nfs/dbraw/zinc/76/77/77/494767777.db2.gz RKARYTJTCHDTLC-UHFFFAOYSA-N -1 3 369.454 3.063 20 0 FGADHM O=S(=O)([N-][C@H](CCO)c1ccccc1)c1cccc(Cl)c1Cl ZINC000121477630 494774789 /nfs/dbraw/zinc/77/47/89/494774789.db2.gz KVTLONLQGUQJRM-CYBMUJFWSA-N -1 3 360.262 3.395 20 0 FGADHM Cc1noc(C)c1S(=O)(=O)[N-]C[C@H](C)Oc1ccc(C(C)C)cc1 ZINC000571471308 505741024 /nfs/dbraw/zinc/74/10/24/505741024.db2.gz NDJBSLMXTKOFRO-LBPRGKRZSA-N -1 3 352.456 3.161 20 0 FGADHM C[C@@H]1[C@@H](C(=O)[O-])CCN1CCOc1ccc(Cl)cc1Br ZINC000092925451 494787156 /nfs/dbraw/zinc/78/71/56/494787156.db2.gz PUUFNOUPFVBHSQ-KOLCDFICSA-N -1 3 362.651 3.276 20 0 FGADHM O=C(Nc1nc(-c2sccc2Br)cs1)c1cn[n-]n1 ZINC000108891131 494800121 /nfs/dbraw/zinc/80/01/21/494800121.db2.gz PKTRDOIYJSNSFA-UHFFFAOYSA-N -1 3 356.230 3.005 20 0 FGADHM O=C(Nc1nc(-c2sccc2Br)cs1)c1cnn[n-]1 ZINC000108891131 494800113 /nfs/dbraw/zinc/80/01/13/494800113.db2.gz PKTRDOIYJSNSFA-UHFFFAOYSA-N -1 3 356.230 3.005 20 0 FGADHM O=C(Nc1nc(-c2sccc2Br)cs1)c1c[n-]nn1 ZINC000108891131 494800117 /nfs/dbraw/zinc/80/01/17/494800117.db2.gz PKTRDOIYJSNSFA-UHFFFAOYSA-N -1 3 356.230 3.005 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]c2cccc(C[S@](C)=O)c2C)ccc1F ZINC000116712122 494842694 /nfs/dbraw/zinc/84/26/94/494842694.db2.gz QRROZCOGWKFRFG-JOCHJYFZSA-N -1 3 355.456 3.122 20 0 FGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@H](C)CCCC(C)C ZINC000109189462 494843492 /nfs/dbraw/zinc/84/34/92/494843492.db2.gz XTKXSIGCLGVZGF-OAHLLOKOSA-N -1 3 370.497 3.404 20 0 FGADHM COc1cc([C@@H](C)NC(=O)c2ccc3n[n-]nc3c2)ccc1OC(C)C ZINC000026944136 494846441 /nfs/dbraw/zinc/84/64/41/494846441.db2.gz CWIQTDSACTXJDW-GFCCVEGCSA-N -1 3 354.410 3.245 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)Nc2nc3c(s2)C[C@H](C)CC3)c([O-])c1 ZINC000116773685 494851335 /nfs/dbraw/zinc/85/13/35/494851335.db2.gz IHSGSGKCYYAXIZ-GFCCVEGCSA-N -1 3 373.478 3.041 20 0 FGADHM Cc1c(Br)cccc1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000132307067 494853905 /nfs/dbraw/zinc/85/39/05/494853905.db2.gz YUJWCWBXQFDDDQ-UHFFFAOYSA-N -1 3 358.199 3.190 20 0 FGADHM Cc1c(Br)cccc1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000132307067 494853910 /nfs/dbraw/zinc/85/39/10/494853910.db2.gz YUJWCWBXQFDDDQ-UHFFFAOYSA-N -1 3 358.199 3.190 20 0 FGADHM COC(=O)c1cccc(NC2CCN(Cc3cc([O-])cc(F)c3)CC2)c1 ZINC000574319692 505746235 /nfs/dbraw/zinc/74/62/35/505746235.db2.gz KICONZDFNZKBPE-UHFFFAOYSA-N -1 3 358.413 3.394 20 0 FGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)[C@H](C)OC1CCCCCC1 ZINC000093315672 494867875 /nfs/dbraw/zinc/86/78/75/494867875.db2.gz VGIJQMHEECDGRI-LBPRGKRZSA-N -1 3 352.431 3.480 20 0 FGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)[C@H]1C[C@H]1c1ccc(F)cc1F ZINC000093317511 494867915 /nfs/dbraw/zinc/86/79/15/494867915.db2.gz GICVSDBKHGKZIZ-RYUDHWBXSA-N -1 3 364.348 3.434 20 0 FGADHM C[C@@H](Sc1n[n-]c(-c2ccccn2)n1)C(=O)Nc1cc(F)ccc1F ZINC000117115882 494893140 /nfs/dbraw/zinc/89/31/40/494893140.db2.gz FCRKKIKNYNDBQR-SECBINFHSA-N -1 3 361.377 3.264 20 0 FGADHM C[C@H](CC(=O)Nc1n[n-]c(-c2ccccc2F)n1)NC(=O)C1CCCCC1 ZINC000109625026 494898364 /nfs/dbraw/zinc/89/83/64/494898364.db2.gz URAPWVKJYMCYKA-GFCCVEGCSA-N -1 3 373.432 3.024 20 0 FGADHM CC(C)[C@@H](O)CC[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000122001346 494907976 /nfs/dbraw/zinc/90/79/76/494907976.db2.gz WGNXBBVAUROMFX-NSHDSACASA-N -1 3 359.797 3.044 20 0 FGADHM CC[C@H]1CCCN(Cc2nc(=O)c3c(C)c(C(=O)OC)sc3[n-]2)CC1 ZINC000117346451 494912859 /nfs/dbraw/zinc/91/28/59/494912859.db2.gz LIHQXJNGSZMCKZ-LBPRGKRZSA-N -1 3 363.483 3.092 20 0 FGADHM CC(C)(C)NC(=O)c1cccc(NC(=O)c2cc(-c3ccco3)[n-]n2)c1 ZINC000127237784 494914837 /nfs/dbraw/zinc/91/48/37/494914837.db2.gz KSTSDZYIGQNYMU-UHFFFAOYSA-N -1 3 352.394 3.450 20 0 FGADHM CC(C)(C)NC(=O)c1cccc(NC(=O)c2cc(-c3ccco3)n[n-]2)c1 ZINC000127237784 494914840 /nfs/dbraw/zinc/91/48/40/494914840.db2.gz KSTSDZYIGQNYMU-UHFFFAOYSA-N -1 3 352.394 3.450 20 0 FGADHM COc1ccccc1-c1nc([N-]C(=O)c2csc([C@H]3CCCO3)n2)n[nH]1 ZINC000122093867 494922985 /nfs/dbraw/zinc/92/29/85/494922985.db2.gz WURMOXQUWMJCSQ-CYBMUJFWSA-N -1 3 371.422 3.041 20 0 FGADHM O=C(Cc1ccc([O-])cc1Cl)N1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000132785292 494923885 /nfs/dbraw/zinc/92/38/85/494923885.db2.gz SJFYHCOSJNVFEP-MRXNPFEDSA-N -1 3 374.872 3.270 20 0 FGADHM O=C(CCCNC(=O)c1ccc(Cl)cc1)NCc1ccc([O-])c(F)c1 ZINC000132784997 494923890 /nfs/dbraw/zinc/92/38/90/494923890.db2.gz CNRMJUPPEMFIAU-UHFFFAOYSA-N -1 3 364.804 3.011 20 0 FGADHM Cc1cc(F)c(S(=O)(=O)[N-]Cc2cc(-c3ccccc3)on2)cc1F ZINC000122112316 494925612 /nfs/dbraw/zinc/92/56/12/494925612.db2.gz PYPMODLJFQPVDT-UHFFFAOYSA-N -1 3 364.373 3.407 20 0 FGADHM Cc1ccccc1-n1nc(C(=O)NCc2ccc([O-])c(F)c2)c2c1CCC2 ZINC000132826132 494929628 /nfs/dbraw/zinc/92/96/28/494929628.db2.gz ZITPWWXZBJLALP-UHFFFAOYSA-N -1 3 365.408 3.444 20 0 FGADHM CCn1cnnc1-c1cccc(NC(=O)c2cc(C)cc(OC)c2[O-])c1 ZINC000093944680 494938254 /nfs/dbraw/zinc/93/82/54/494938254.db2.gz GHPOBTNGJHKUIJ-UHFFFAOYSA-N -1 3 352.394 3.240 20 0 FGADHM COc1cc(C)cc(C(=O)Nc2cc(C(=O)NC3CC3)ccc2C)c1[O-] ZINC000094014584 494939370 /nfs/dbraw/zinc/93/93/70/494939370.db2.gz FQAYEEDNCCJSPA-UHFFFAOYSA-N -1 3 354.406 3.162 20 0 FGADHM CC[C@@]1(c2ccc(NC(=O)c3ccc(C)cc3[O-])cc2)CCC(=O)NC1=O ZINC000094038003 494943152 /nfs/dbraw/zinc/94/31/52/494943152.db2.gz MUEVROAHDJYSLU-NRFANRHFSA-N -1 3 366.417 3.037 20 0 FGADHM C[C@@H]1Oc2ccccc2[C@H]1[N-]S(=O)(=O)c1cccc(Br)c1 ZINC000577556324 505751666 /nfs/dbraw/zinc/75/16/66/505751666.db2.gz QKPYATFYSNEMHW-BONVTDFDSA-N -1 3 368.252 3.250 20 0 FGADHM O=C(NCCc1ccccc1OC(F)(F)F)NCc1ccc([O-])c(F)c1 ZINC000127535184 494958374 /nfs/dbraw/zinc/95/83/74/494958374.db2.gz DOCSIJOYOMOHOK-UHFFFAOYSA-N -1 3 372.318 3.472 20 0 FGADHM O=C(Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)c1cccc(Cl)c1 ZINC000133068200 494964001 /nfs/dbraw/zinc/96/40/01/494964001.db2.gz XKJYECOJRGXBIQ-UHFFFAOYSA-N -1 3 368.817 3.172 20 0 FGADHM CCOCCOCc1cccc(NC(=O)c2cc(-c3ccco3)[n-]n2)c1 ZINC000127581318 494965873 /nfs/dbraw/zinc/96/58/73/494965873.db2.gz JIVNUVBSVPQALZ-UHFFFAOYSA-N -1 3 355.394 3.475 20 0 FGADHM CCOCCOCc1cccc(NC(=O)c2cc(-c3ccco3)n[n-]2)c1 ZINC000127581318 494965877 /nfs/dbraw/zinc/96/58/77/494965877.db2.gz JIVNUVBSVPQALZ-UHFFFAOYSA-N -1 3 355.394 3.475 20 0 FGADHM Cc1nc(C(C)(C)[N-]S(=O)(=O)c2ccc(F)c(F)c2F)sc1C ZINC000122423764 494972739 /nfs/dbraw/zinc/97/27/39/494972739.db2.gz HZIDDZARUUVNCX-UHFFFAOYSA-N -1 3 364.414 3.391 20 0 FGADHM COC[C@H](NC(=O)c1ccc(O)cc1[O-])c1cccc(C(F)(F)F)c1 ZINC000118241658 494985917 /nfs/dbraw/zinc/98/59/17/494985917.db2.gz ZFQCNHDHYIFMCT-AWEZNQCLSA-N -1 3 355.312 3.234 20 0 FGADHM Cc1nn2cccnc2c1C(=O)[N-]c1nc(Sc2ccccc2)ns1 ZINC000110768958 495008661 /nfs/dbraw/zinc/00/86/61/495008661.db2.gz QRPXEGKZHCKAIS-UHFFFAOYSA-N -1 3 368.447 3.293 20 0 FGADHM COc1ccc(Cl)cc1N1C[C@@H](C(=O)Nc2ccccc2[O-])CC1=O ZINC000096590611 495013187 /nfs/dbraw/zinc/01/31/87/495013187.db2.gz ONUBYUZBCZYCSZ-NSHDSACASA-N -1 3 360.797 3.046 20 0 FGADHM CC[C@@H]([N-]S(=O)(=O)c1ccc(Br)s1)c1nccs1 ZINC000096743328 495014544 /nfs/dbraw/zinc/01/45/44/495014544.db2.gz NQBSYNPEWRJUFX-SSDOTTSWSA-N -1 3 367.315 3.397 20 0 FGADHM Cc1ccc2[nH]c(C(=O)NCCCNC(=O)c3cccc([O-])c3)cc2c1C ZINC000118783404 495034660 /nfs/dbraw/zinc/03/46/60/495034660.db2.gz GJHZGZIBIAZDHW-UHFFFAOYSA-N -1 3 365.433 3.040 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N2C[C@@H](c3ccccc3C)OC[C@H]2C)c1 ZINC000122822883 495036017 /nfs/dbraw/zinc/03/60/17/495036017.db2.gz BWYXCENTQNBLGX-VLIAUNLRSA-N -1 3 368.433 3.261 20 0 FGADHM Cc1nc(C)c(CCC(=O)N(Cc2cccc(F)c2)C(C)(C)C)c(=O)[n-]1 ZINC000122943223 495056299 /nfs/dbraw/zinc/05/62/99/495056299.db2.gz MIWWKSLQYIEQPC-UHFFFAOYSA-N -1 3 359.445 3.286 20 0 FGADHM Cc1ccccc1CS(=O)(=O)[N-]CC(=O)Nc1cccc2ccccc21 ZINC000111336458 495065881 /nfs/dbraw/zinc/06/58/81/495065881.db2.gz LAOOUUGJVJGKCL-UHFFFAOYSA-N -1 3 368.458 3.206 20 0 FGADHM Cc1cnn(-c2ccc(NC(=O)c3c[n-]c4ccccc4c3=O)cc2F)c1 ZINC000118992153 495066301 /nfs/dbraw/zinc/06/63/01/495066301.db2.gz MFEHAHMCBIEDHO-UHFFFAOYSA-N -1 3 362.364 3.414 20 0 FGADHM Cc1cnn(-c2ccc(NC(=O)c3cnc4ccccc4c3[O-])cc2F)c1 ZINC000118992153 495066303 /nfs/dbraw/zinc/06/63/03/495066303.db2.gz MFEHAHMCBIEDHO-UHFFFAOYSA-N -1 3 362.364 3.414 20 0 FGADHM C[C@H]([N-]S(=O)(=O)Cc1ccc(F)cc1)c1noc(-c2ccccc2)n1 ZINC000128282284 495072638 /nfs/dbraw/zinc/07/26/38/495072638.db2.gz FOWUEBCUFPVZPO-LBPRGKRZSA-N -1 3 361.398 3.056 20 0 FGADHM COc1cccc([C@H]2C[C@H](C)CN2C(=O)c2c[n-]c3ccncc3c2=O)c1 ZINC000574380115 505759620 /nfs/dbraw/zinc/75/96/20/505759620.db2.gz NCTBTAYROVTMGC-ORAYPTAESA-N -1 3 363.417 3.155 20 0 FGADHM COc1ccc([O-])c(C(=O)N2Cc3ccccc3C[C@H]2c2nnc(C)o2)c1 ZINC000123101734 495080948 /nfs/dbraw/zinc/08/09/48/495080948.db2.gz IVDBQKNTNULZBX-KRWDZBQOSA-N -1 3 365.389 3.032 20 0 FGADHM O=C(NCC1(CF)CCOCC1)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000568716981 505760066 /nfs/dbraw/zinc/76/00/66/505760066.db2.gz NJSXDPNWKQUMIH-UHFFFAOYSA-N -1 3 371.408 3.119 20 0 FGADHM COc1ccc([O-])c(C(=O)Nc2ccc([C@H](C)N3CCOCC3)cc2)c1 ZINC000111612108 495090080 /nfs/dbraw/zinc/09/00/80/495090080.db2.gz UDMFXUQCYMRZSW-AWEZNQCLSA-N -1 3 356.422 3.046 20 0 FGADHM COc1cccc(C(=O)NCCC(=O)Nc2cccc(Cl)c2C)c1[O-] ZINC000101671470 495090485 /nfs/dbraw/zinc/09/04/85/495090485.db2.gz PWQWXYSBFSUKJG-UHFFFAOYSA-N -1 3 362.813 3.121 20 0 FGADHM CC(C)c1ccsc1C(=O)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000101678768 495091321 /nfs/dbraw/zinc/09/13/21/495091321.db2.gz FNMWLCARTAXYRW-UHFFFAOYSA-N -1 3 358.463 3.175 20 0 FGADHM CCc1nc(COc2ccc(C(=O)Nc3cccc([O-])c3F)cc2)no1 ZINC000128419596 495093757 /nfs/dbraw/zinc/09/37/57/495093757.db2.gz LOLQAESILDGFAF-UHFFFAOYSA-N -1 3 357.341 3.308 20 0 FGADHM COC(=O)c1sc([N-]C(=O)c2ccc(Br)o2)nc1C1CC1 ZINC000119125186 495099162 /nfs/dbraw/zinc/09/91/62/495099162.db2.gz RXPMDVIDDAGGED-UHFFFAOYSA-N -1 3 371.212 3.415 20 0 FGADHM Cc1ccc(-c2nc(C(=O)Nc3nnc(-c4ccco4)[n-]3)cs2)n1C ZINC000128478106 495102587 /nfs/dbraw/zinc/10/25/87/495102587.db2.gz BWRQFKQGKZBVFG-UHFFFAOYSA-N -1 3 354.395 3.087 20 0 FGADHM Cc1ccc(-c2nc(C(=O)Nc3nc(-c4ccco4)n[n-]3)cs2)n1C ZINC000128478106 495102590 /nfs/dbraw/zinc/10/25/90/495102590.db2.gz BWRQFKQGKZBVFG-UHFFFAOYSA-N -1 3 354.395 3.087 20 0 FGADHM CCN(CC)Cc1nc(C2(NC(=O)c3cccc(C)c3[O-])CCCC2)no1 ZINC000119185459 495112659 /nfs/dbraw/zinc/11/26/59/495112659.db2.gz SSQBXQAPFFIGRN-UHFFFAOYSA-N -1 3 372.469 3.125 20 0 FGADHM CC(C)n1cnnc1SCC(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000134160878 495115726 /nfs/dbraw/zinc/11/57/26/495115726.db2.gz WOGPCTNRYOLSRO-UHFFFAOYSA-N -1 3 360.361 3.314 20 0 FGADHM O=C(CCNC(=O)c1cccs1)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000134224041 495124144 /nfs/dbraw/zinc/12/41/44/495124144.db2.gz WCDQWTNSTUPAGT-UHFFFAOYSA-N -1 3 358.341 3.231 20 0 FGADHM CC(C)[C@@H](C(=O)Nc1cccc([O-])c1F)S(=O)(=O)C1CCCCC1 ZINC000128632467 495127220 /nfs/dbraw/zinc/12/72/20/495127220.db2.gz VKVCFYPINZZUBP-INIZCTEOSA-N -1 3 357.447 3.242 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-][C@H]1c2cccc(F)c2CC[C@@H]1C ZINC000123407453 495128039 /nfs/dbraw/zinc/12/80/39/495128039.db2.gz MADXLWUULJKWQX-ZUZCIYMTSA-N -1 3 355.456 3.498 20 0 FGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)CCOc1cccc(C)c1C ZINC000134292927 495131246 /nfs/dbraw/zinc/13/12/46/495131246.db2.gz CFQFVZYXOHFPTM-UHFFFAOYSA-N -1 3 360.410 3.438 20 0 FGADHM C[C@@H](c1ccc([N-]S(=O)(=O)c2cccc(F)c2)cc1)N1CCOCC1 ZINC000111994836 495135252 /nfs/dbraw/zinc/13/52/52/495135252.db2.gz ITXRSIMMUSKBCK-AWEZNQCLSA-N -1 3 364.442 3.020 20 0 FGADHM O=C([O-])[C@H](c1ccc(F)cc1)N1CCC(OC[C@H]2CCCCO2)CC1 ZINC000574406051 505765587 /nfs/dbraw/zinc/76/55/87/505765587.db2.gz HWEMMGTUCIXIMX-MSOLQXFVSA-N -1 3 351.418 3.002 20 0 FGADHM Cn1ccnc1-c1noc([N-]Cc2csc(COc3ccccc3)n2)n1 ZINC000134435664 495149185 /nfs/dbraw/zinc/14/91/85/495149185.db2.gz UXCOOMZXFYRKCL-UHFFFAOYSA-N -1 3 368.422 3.118 20 0 FGADHM O=C(CCC(=O)N1CCSc2ccccc21)Nc1cccc([O-])c1F ZINC000128836830 495156921 /nfs/dbraw/zinc/15/69/21/495156921.db2.gz RRWNMYUDJQKAIR-UHFFFAOYSA-N -1 3 360.410 3.389 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C=Cc3cnc(C)s3)c2)n1 ZINC000112236577 495158797 /nfs/dbraw/zinc/15/87/97/495158797.db2.gz UQJTYFHFXMFNSW-BQYQJAHWSA-N -1 3 366.446 3.416 20 0 FGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@H](CO)CC(C)(C)C)cc1Cl ZINC000128850172 495159004 /nfs/dbraw/zinc/15/90/04/495159004.db2.gz UTJXEFHALCKVGP-VIFPVBQESA-N -1 3 370.298 3.077 20 0 FGADHM Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000123608511 495159556 /nfs/dbraw/zinc/15/95/56/495159556.db2.gz KGXQKAFTAGLDDR-LLVKDONJSA-N -1 3 357.801 3.235 20 0 FGADHM Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000123608511 495159559 /nfs/dbraw/zinc/15/95/59/495159559.db2.gz KGXQKAFTAGLDDR-LLVKDONJSA-N -1 3 357.801 3.235 20 0 FGADHM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-]c1ccc(F)cc1Cl ZINC000134554005 495167120 /nfs/dbraw/zinc/16/71/20/495167120.db2.gz ZTMYPTMXXASORE-UHFFFAOYSA-N -1 3 361.753 3.206 20 0 FGADHM Cc1nc(C)c(CCC(=O)N[C@@H]2CCCC[C@H]2Cc2ccccc2)c(=O)[n-]1 ZINC000102911646 495172224 /nfs/dbraw/zinc/17/22/24/495172224.db2.gz GJHRLCOQJJDYBB-AZUAARDMSA-N -1 3 367.493 3.237 20 0 FGADHM O=S(=O)([N-][C@H]1CC[C@@H](CO)CC1)c1cc(C(F)(F)F)ccc1Cl ZINC000119465011 495172635 /nfs/dbraw/zinc/17/26/35/495172635.db2.gz MPJMXRNBPLXUJW-HOMQSWHASA-N -1 3 371.808 3.188 20 0 FGADHM O=C(c1c[n-]c2ccccc2c1=O)N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000119519825 495182169 /nfs/dbraw/zinc/18/21/69/495182169.db2.gz USRKBHHOFXNGOT-HNNXBMFYSA-N -1 3 350.393 3.372 20 0 FGADHM CN(CC(=O)Nc1cc(Cc2ccccc2)ccc1[O-])[C@H]1CCSC1 ZINC000129057986 495189820 /nfs/dbraw/zinc/18/98/20/495189820.db2.gz VWULYZFCQBMCHL-KRWDZBQOSA-N -1 3 356.491 3.359 20 0 FGADHM COc1cc(F)c(C(=O)[N-]c2nnc(-c3ccccn3)s2)cc1OC ZINC000119622277 495203741 /nfs/dbraw/zinc/20/37/41/495203741.db2.gz IUUQCAUNCSFTNA-UHFFFAOYSA-N -1 3 360.370 3.009 20 0 FGADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cncc(C(F)(F)F)c3)cc2)n1 ZINC000580475534 505767507 /nfs/dbraw/zinc/76/75/07/505767507.db2.gz BLYDOCMMTUYLPB-UHFFFAOYSA-N -1 3 374.322 3.411 20 0 FGADHM Cc1cc(N2CCN(C(=O)c3cccc([O-])c3)CC2)c2cccc(F)c2n1 ZINC000124010512 495220637 /nfs/dbraw/zinc/22/06/37/495220637.db2.gz BKJLLTAPPUQILZ-UHFFFAOYSA-N -1 3 365.408 3.350 20 0 FGADHM CC(C)[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cncc(Br)c1 ZINC000112674504 495221760 /nfs/dbraw/zinc/22/17/60/495221760.db2.gz UOTSKGDYNRBYNF-KBPBESRZSA-N -1 3 361.305 3.337 20 0 FGADHM O=c1cc(CN2CCCC[C@H]2c2nnc(C3CCC3)o2)nc(C2CC2)[n-]1 ZINC000574416655 505768501 /nfs/dbraw/zinc/76/85/01/505768501.db2.gz UOTCXLKGUGBOGI-HNNXBMFYSA-N -1 3 355.442 3.437 20 0 FGADHM CCN(c1ccc(C(=O)Nc2cc(-c3nccn3C)[n-]n2)cc1)C(C)C ZINC000119731304 495229274 /nfs/dbraw/zinc/22/92/74/495229274.db2.gz DWQJTYDBRKAXST-UHFFFAOYSA-N -1 3 352.442 3.297 20 0 FGADHM CCN(c1ccc(C(=O)Nc2cc(-c3nccn3C)n[n-]2)cc1)C(C)C ZINC000119731304 495229277 /nfs/dbraw/zinc/22/92/77/495229277.db2.gz DWQJTYDBRKAXST-UHFFFAOYSA-N -1 3 352.442 3.297 20 0 FGADHM C[C@]1(c2cccc(NC(=O)[C@@H]3CC[C@@H]4CCCC[C@@H]4C3)c2)NC(=O)[N-]C1=O ZINC000119764701 495235850 /nfs/dbraw/zinc/23/58/50/495235850.db2.gz VAPVXPIUMSBVKM-WPLACJGDSA-N -1 3 369.465 3.286 20 0 FGADHM CC(C)(C)C(=O)Nc1nc(CC(=O)Nc2cccc([O-])c2F)cs1 ZINC000129371600 495236070 /nfs/dbraw/zinc/23/60/70/495236070.db2.gz JXIMPZKNWXDBAK-UHFFFAOYSA-N -1 3 351.403 3.154 20 0 FGADHM C[C@@H](Oc1ccc(F)cc1Cl)C(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000112897088 495253382 /nfs/dbraw/zinc/25/33/82/495253382.db2.gz TWJUBTZRYOZAAN-MRVPVSSYSA-N -1 3 350.737 3.263 20 0 FGADHM C[C@@H](Oc1ccc(F)cc1Cl)C(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000112897088 495253384 /nfs/dbraw/zinc/25/33/84/495253384.db2.gz TWJUBTZRYOZAAN-MRVPVSSYSA-N -1 3 350.737 3.263 20 0 FGADHM C[C@@H](Oc1ccc(F)cc1Cl)C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000112897088 495253387 /nfs/dbraw/zinc/25/33/87/495253387.db2.gz TWJUBTZRYOZAAN-MRVPVSSYSA-N -1 3 350.737 3.263 20 0 FGADHM COc1ccccc1C[C@H](C)CC(=O)Nc1cc(-c2nccn2C)[n-]n1 ZINC000119863912 495256791 /nfs/dbraw/zinc/25/67/91/495256791.db2.gz JXCLVUDVGZNNHA-ZDUSSCGKSA-N -1 3 353.426 3.026 20 0 FGADHM COc1ccccc1C[C@H](C)CC(=O)Nc1cc(-c2nccn2C)n[n-]1 ZINC000119863912 495256793 /nfs/dbraw/zinc/25/67/93/495256793.db2.gz JXCLVUDVGZNNHA-ZDUSSCGKSA-N -1 3 353.426 3.026 20 0 FGADHM CO[C@H](CS(=O)(=O)[N-][C@H](C)c1nc(-c2ccccc2)cs1)C1CC1 ZINC000568756499 505770691 /nfs/dbraw/zinc/77/06/91/505770691.db2.gz SIFJDDUUBVUPCT-MLGOLLRUSA-N -1 3 366.508 3.216 20 0 FGADHM Cn1ccnc1-c1cc(NC(=O)CCc2ncc(-c3ccccc3)o2)n[n-]1 ZINC000119891084 495263282 /nfs/dbraw/zinc/26/32/82/495263282.db2.gz KLBFBBDVYCSCHT-UHFFFAOYSA-N -1 3 362.393 3.037 20 0 FGADHM Cn1ccnc1-c1cc(NC(=O)CCc2ncc(-c3ccccc3)o2)[n-]n1 ZINC000119891084 495263289 /nfs/dbraw/zinc/26/32/89/495263289.db2.gz KLBFBBDVYCSCHT-UHFFFAOYSA-N -1 3 362.393 3.037 20 0 FGADHM O=C(Cc1ccccc1I)Nc1ccc([O-])cc1F ZINC000124292449 495264698 /nfs/dbraw/zinc/26/46/98/495264698.db2.gz ZBYBHEQLXMIJMY-UHFFFAOYSA-N -1 3 371.149 3.317 20 0 FGADHM Cc1ccc(C(=O)N2CCN(c3ccnc(-c4ccccc4)n3)CC2)c([O-])c1 ZINC000104131595 495269117 /nfs/dbraw/zinc/26/91/17/495269117.db2.gz CLPOZNXUCJMKCQ-UHFFFAOYSA-N -1 3 374.444 3.120 20 0 FGADHM Cc1ccc(-c2nsc([N-]C(=O)c3cccc4c3oc(=O)n4C)n2)s1 ZINC000124352840 495274772 /nfs/dbraw/zinc/27/47/72/495274772.db2.gz GCLFRWIKZOGWAG-UHFFFAOYSA-N -1 3 372.431 3.272 20 0 FGADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@H](C(C)C)N3CCCCC3)cc2)n1 ZINC000104325864 495278244 /nfs/dbraw/zinc/27/82/44/495278244.db2.gz YZGNOIVCIPDCGE-IBGZPJMESA-N -1 3 368.481 3.194 20 0 FGADHM COc1ccc(-n2ccnc2SCC(=O)Nc2ccc([O-])cc2F)cc1 ZINC000124470238 495292371 /nfs/dbraw/zinc/29/23/71/495292371.db2.gz BYEVNGHKJNTFOO-UHFFFAOYSA-N -1 3 373.409 3.456 20 0 FGADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]Cc2cccc(F)c2)cc1Cl ZINC000104734838 495301788 /nfs/dbraw/zinc/30/17/88/495301788.db2.gz GDKVTCIAKQDANA-UHFFFAOYSA-N -1 3 374.796 3.055 20 0 FGADHM Cc1nc(C)c(CC(=O)NCC2(c3cccs3)CCCCC2)c(=O)[n-]1 ZINC000124545973 495305148 /nfs/dbraw/zinc/30/51/48/495305148.db2.gz MHKKODHCHUIOHB-UHFFFAOYSA-N -1 3 359.495 3.009 20 0 FGADHM Cc1ccc(CN2C(=O)CC[C@@H]2c2nc(-c3ccc4n[n-]nc4c3)no2)cc1 ZINC000580509931 505774360 /nfs/dbraw/zinc/77/43/60/505774360.db2.gz IZJXTUWFPNUHKV-QGZVFWFLSA-N -1 3 374.404 3.180 20 0 FGADHM Cc1nc(C)c(CC(=O)NCC(C)(C)CCCc2ccccc2)c(=O)[n-]1 ZINC000113921280 495336275 /nfs/dbraw/zinc/33/62/75/495336275.db2.gz RBLYZZWINLITOU-UHFFFAOYSA-N -1 3 355.482 3.095 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)C[C@H](C)c3cccc(OC)c3)[n-]c21 ZINC000135903243 495342180 /nfs/dbraw/zinc/34/21/80/495342180.db2.gz PFKJSNMBPAHEBU-LBPRGKRZSA-N -1 3 367.405 3.490 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)C[C@H](C)c3cccc(OC)c3)nc21 ZINC000135903243 495342184 /nfs/dbraw/zinc/34/21/84/495342184.db2.gz PFKJSNMBPAHEBU-LBPRGKRZSA-N -1 3 367.405 3.490 20 0 FGADHM CCCCn1c(=O)[n-]nc1S(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000105525414 495367917 /nfs/dbraw/zinc/36/79/17/495367917.db2.gz OYZBWEPETRDWEV-UHFFFAOYSA-N -1 3 364.254 3.065 20 0 FGADHM COc1ccc(OC)c(S(=O)(=O)[N-][C@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000105627874 495378921 /nfs/dbraw/zinc/37/89/21/495378921.db2.gz REGVJYWSXFZZHA-MNOVXSKESA-N -1 3 367.389 3.103 20 0 FGADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1cccc2c3c([nH]c21)CCCC3 ZINC000120588565 495412068 /nfs/dbraw/zinc/41/20/68/495412068.db2.gz YWJCSWKKQHMFQT-UHFFFAOYSA-N -1 3 372.432 3.403 20 0 FGADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1cccc2c3c([nH]c21)CCCC3 ZINC000120588565 495412070 /nfs/dbraw/zinc/41/20/70/495412070.db2.gz YWJCSWKKQHMFQT-UHFFFAOYSA-N -1 3 372.432 3.403 20 0 FGADHM COc1ccc2c(c1)CCC[C@H]2CNC(=O)c1c[n-]c2ccccc2c1=O ZINC000136996776 495416707 /nfs/dbraw/zinc/41/67/07/495416707.db2.gz UWIOJOYEUUNMSE-HNNXBMFYSA-N -1 3 362.429 3.387 20 0 FGADHM CC(C)(C)OC(=O)[C@@H]1CCCN(C(=O)Cc2ccc([O-])cc2Cl)C1 ZINC000137050141 495420783 /nfs/dbraw/zinc/42/07/83/495420783.db2.gz UOVFYONJJBBWQR-CYBMUJFWSA-N -1 3 353.846 3.168 20 0 FGADHM Cc1nn2c(nnc2SCc2csc(-c3ccsc3)n2)[n-]c1=O ZINC000114860584 495436059 /nfs/dbraw/zinc/43/60/59/495436059.db2.gz INJXWQLRLBYCGT-UHFFFAOYSA-N -1 3 362.465 3.011 20 0 FGADHM Cc1nn2c(nnc2S[C@H](C)c2ccc(OC(F)(F)F)cc2)[n-]c1=O ZINC000114860805 495436107 /nfs/dbraw/zinc/43/61/07/495436107.db2.gz IMMBIYYWWZRLIT-MRVPVSSYSA-N -1 3 371.344 3.285 20 0 FGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CC=C(c2ccccc2F)CC1 ZINC000137328253 495436659 /nfs/dbraw/zinc/43/66/59/495436659.db2.gz NWZNJLOZXXFLHR-UHFFFAOYSA-N -1 3 369.440 3.444 20 0 FGADHM Cc1cc(OCC(=O)Nc2ccc(Cc3nnn[n-]3)cc2)cc(C)c1Cl ZINC000120699017 495437559 /nfs/dbraw/zinc/43/75/59/495437559.db2.gz LWGWTQGINYMIMU-UHFFFAOYSA-N -1 3 371.828 3.078 20 0 FGADHM Cc1cc(OCC(=O)Nc2ccc(Cc3nn[n-]n3)cc2)cc(C)c1Cl ZINC000120699017 495437563 /nfs/dbraw/zinc/43/75/63/495437563.db2.gz LWGWTQGINYMIMU-UHFFFAOYSA-N -1 3 371.828 3.078 20 0 FGADHM COCc1ccc([C@H]2CCCN2C(=O)c2cc(NC(C)=O)ccc2[O-])o1 ZINC000137466948 495441905 /nfs/dbraw/zinc/44/19/05/495441905.db2.gz UIFDSTLJTVEMJY-MRXNPFEDSA-N -1 3 358.394 3.067 20 0 FGADHM O=S(=O)([N-]C[C@H](CO)c1ccccc1)c1cc(Cl)cc(Cl)c1 ZINC000125429899 495443635 /nfs/dbraw/zinc/44/36/35/495443635.db2.gz JRAURPQNWQNNCA-GFCCVEGCSA-N -1 3 360.262 3.048 20 0 FGADHM Cc1nn2c(nnc2SCc2csc(-c3ccc(F)cc3)n2)[n-]c1=O ZINC000106404355 495452428 /nfs/dbraw/zinc/45/24/28/495452428.db2.gz FZKOXVKUPCCNAG-UHFFFAOYSA-N -1 3 374.426 3.088 20 0 FGADHM CCc1cc(=O)[n-]c(CS[C@H](C)C(=O)N(CC)Cc2ccccc2)n1 ZINC000125544927 495460984 /nfs/dbraw/zinc/46/09/84/495460984.db2.gz XXXHIZQJYRYBBX-CQSZACIVSA-N -1 3 359.495 3.415 20 0 FGADHM COc1cc(OC)c(OC)cc1CNC(=O)c1cc([O-])ccc1Cl ZINC000574487966 505783956 /nfs/dbraw/zinc/78/39/56/505783956.db2.gz GUQANKIFYPGQLM-UHFFFAOYSA-N -1 3 351.786 3.001 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)[C@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000130954527 495471379 /nfs/dbraw/zinc/47/13/79/495471379.db2.gz KHDMWWDWRMQKTQ-RYUDHWBXSA-N -1 3 357.776 3.401 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)[C@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000130954527 495471381 /nfs/dbraw/zinc/47/13/81/495471381.db2.gz KHDMWWDWRMQKTQ-RYUDHWBXSA-N -1 3 357.776 3.401 20 0 FGADHM C[C@@H](c1ccccc1Cl)N1CCN(C(=O)c2c([O-])cccc2O)CC1 ZINC000125638603 495474873 /nfs/dbraw/zinc/47/48/73/495474873.db2.gz ZDLWVFSYKPKYOD-ZDUSSCGKSA-N -1 3 360.841 3.270 20 0 FGADHM O=S(=O)([N-]C[C@@H]1CCCS1)c1ccc(Br)cc1Cl ZINC000125682035 495482052 /nfs/dbraw/zinc/48/20/52/495482052.db2.gz CUUHMOQHBPVSJV-VIFPVBQESA-N -1 3 370.721 3.276 20 0 FGADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]CC1(C)CCC1 ZINC000125713311 495486874 /nfs/dbraw/zinc/48/68/74/495486874.db2.gz ZIHOEBVFLQBZNI-UHFFFAOYSA-N -1 3 353.465 3.156 20 0 FGADHM CN(Cc1cc(Br)ccc1F)C(=O)c1c([O-])cccc1O ZINC000125755599 495494414 /nfs/dbraw/zinc/49/44/14/495494414.db2.gz BXYLTIHOQVSJGE-UHFFFAOYSA-N -1 3 354.175 3.272 20 0 FGADHM O=C(NC[C@H]1CCCO[C@H]1c1ccccc1)c1c[n-]c2ccccc2c1=O ZINC000140232191 495491814 /nfs/dbraw/zinc/49/18/14/495491814.db2.gz KJSXGIYQHWZBRR-IERDGZPVSA-N -1 3 362.429 3.426 20 0 FGADHM CCc1cnc(S(=O)(=O)Cc2nc(-c3ccc(C(C)C)cc3)no2)[n-]1 ZINC000125772164 495496646 /nfs/dbraw/zinc/49/66/46/495496646.db2.gz MGNICZIQDOTVEV-UHFFFAOYSA-N -1 3 360.439 3.119 20 0 FGADHM CCc1c[n-]c(S(=O)(=O)Cc2nc(-c3ccc(C(C)C)cc3)no2)n1 ZINC000125772164 495496652 /nfs/dbraw/zinc/49/66/52/495496652.db2.gz MGNICZIQDOTVEV-UHFFFAOYSA-N -1 3 360.439 3.119 20 0 FGADHM CCc1cc(=O)[n-]c(CS[C@H](C)C(=O)Nc2ccc(F)cc2F)n1 ZINC000125788967 495499123 /nfs/dbraw/zinc/49/91/23/495499123.db2.gz WREYZARWTVVNRE-SECBINFHSA-N -1 3 353.394 3.283 20 0 FGADHM C[C@@H](O)[C@H]1CCCCN1Cc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000106863578 495502843 /nfs/dbraw/zinc/50/28/43/495502843.db2.gz HGXFUFLOPGOMNR-CZUORRHYSA-N -1 3 369.490 3.387 20 0 FGADHM COc1ccc(C[C@H](C)[N-]S(=O)(=O)c2cc(C)ccc2F)cc1OC ZINC000106894579 495507529 /nfs/dbraw/zinc/50/75/29/495507529.db2.gz CZTYTGTUDJWWLK-ZDUSSCGKSA-N -1 3 367.442 3.061 20 0 FGADHM CC[C@H](NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)c1ccc(F)cc1F ZINC000121048356 495512132 /nfs/dbraw/zinc/51/21/32/495512132.db2.gz MZRTXLDOUMXMMI-HNNXBMFYSA-N -1 3 359.332 3.121 20 0 FGADHM O=C(c1ccc2n[n-]nc2c1)N1CCC(Oc2ccccc2Cl)CC1 ZINC000125882372 495513618 /nfs/dbraw/zinc/51/36/18/495513618.db2.gz AQKWUDCYPCXHSH-UHFFFAOYSA-N -1 3 356.813 3.295 20 0 FGADHM Cc1nn(C)c2ncc(S(=O)(=O)[N-]c3ccc(Cl)cc3Cl)cc12 ZINC000158539181 495533906 /nfs/dbraw/zinc/53/39/06/495533906.db2.gz PDYLFLPFFURRNZ-UHFFFAOYSA-N -1 3 371.249 3.384 20 0 FGADHM O=C(Nc1cc(F)c(F)cc1F)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000182385446 495542168 /nfs/dbraw/zinc/54/21/68/495542168.db2.gz DZPZBHHGGFCFCC-HNNXBMFYSA-N -1 3 364.323 3.053 20 0 FGADHM CC[C@@H](NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])c1nc(C)cs1 ZINC000182388076 495544205 /nfs/dbraw/zinc/54/42/05/495544205.db2.gz RJNCLZGFLDJBPQ-HUUCEWRRSA-N -1 3 373.478 3.029 20 0 FGADHM O=C(NCCc1ccccc1Br)c1c[n-]c2ccccc2c1=O ZINC000145240588 495553886 /nfs/dbraw/zinc/55/38/86/495553886.db2.gz MJQNZHZSOZGROJ-UHFFFAOYSA-N -1 3 371.234 3.263 20 0 FGADHM COC(=O)[C@H](C)[C@@H](NC(=O)Cc1ccc([O-])cc1Cl)c1ccccc1 ZINC000158675117 495564475 /nfs/dbraw/zinc/56/44/75/495564475.db2.gz GWCXSIRZZFEQAV-KZULUSFZSA-N -1 3 361.825 3.255 20 0 FGADHM CC(C)[C@H](C(=O)Nc1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1)c1ccccc1 ZINC000173513416 495567344 /nfs/dbraw/zinc/56/73/44/495567344.db2.gz CEVILNJBGVACOT-LAUBAEHRSA-N -1 3 365.433 3.120 20 0 FGADHM Cc1cc(N2CCCC2)ccc1NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000147360137 495574443 /nfs/dbraw/zinc/57/44/43/495574443.db2.gz KKLUUNABVZUUMO-UHFFFAOYSA-N -1 3 364.405 3.123 20 0 FGADHM O=S(=O)([N-][C@@H]1CCCC[C@H]1n1cccn1)c1ccccc1C(F)(F)F ZINC000173542146 495580689 /nfs/dbraw/zinc/58/06/89/495580689.db2.gz TUNBYEAVRMGNQI-ZIAGYGMSSA-N -1 3 373.400 3.364 20 0 FGADHM O=C(c1ccc2c(c1[O-])CCCC2)N1CCN(C(=O)C2CCCCC2)CC1 ZINC000185449062 495581249 /nfs/dbraw/zinc/58/12/49/495581249.db2.gz OUKJBBUGKOOJBJ-UHFFFAOYSA-N -1 3 370.493 3.136 20 0 FGADHM Cc1ccc(NC(=O)c2cccc([O-])c2)cc1S(=O)(=O)NC(C)(C)C ZINC000182488322 495582841 /nfs/dbraw/zinc/58/28/41/495582841.db2.gz AANGSTWSWBNXMI-UHFFFAOYSA-N -1 3 362.451 3.030 20 0 FGADHM C[C@@H](NCc1cc([O-])cc(F)c1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000185471324 495588958 /nfs/dbraw/zinc/58/89/58/495588958.db2.gz IFJNJJMVUSLCTO-CYBMUJFWSA-N -1 3 358.413 3.040 20 0 FGADHM C[C@@H]1CN(C(=O)c2ccc(CNCc3cc([O-])cc(F)c3)cc2)C[C@H](C)O1 ZINC000185491082 495596815 /nfs/dbraw/zinc/59/68/15/495596815.db2.gz VEIWLAVWFYGWKK-GASCZTMLSA-N -1 3 372.440 3.071 20 0 FGADHM [O-]c1cc(F)cc(CNC[C@@H](O)COc2cccc(C(F)(F)F)c2)c1 ZINC000185490507 495596843 /nfs/dbraw/zinc/59/68/43/495596843.db2.gz AXXLZIONXCIJJR-OAHLLOKOSA-N -1 3 359.319 3.080 20 0 FGADHM COCCOc1ccc(F)cc1NC(=O)c1cc(-c2ccc(C)o2)[n-]n1 ZINC000170776245 495600582 /nfs/dbraw/zinc/60/05/82/495600582.db2.gz ZXTJAAZQIYDTBS-UHFFFAOYSA-N -1 3 359.357 3.395 20 0 FGADHM COCCOc1ccc(F)cc1NC(=O)c1cc(-c2ccc(C)o2)n[n-]1 ZINC000170776245 495600585 /nfs/dbraw/zinc/60/05/85/495600585.db2.gz ZXTJAAZQIYDTBS-UHFFFAOYSA-N -1 3 359.357 3.395 20 0 FGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@@H]2CCC[C@@H](C)C2)cc1OC ZINC000149863985 495601702 /nfs/dbraw/zinc/60/17/02/495601702.db2.gz VPWKTLUFYAXBTF-CHWSQXEVSA-N -1 3 369.487 3.157 20 0 FGADHM COCc1ncc(C(=O)[N-]c2cc(F)c(OC(F)F)cc2F)s1 ZINC000577777299 505791856 /nfs/dbraw/zinc/79/18/56/505791856.db2.gz IYCNSCVTDYVIJD-UHFFFAOYSA-N -1 3 350.293 3.421 20 0 FGADHM CCOc1cccnc1C(=O)[N-]c1nnc(Cc2ccccc2F)s1 ZINC000176336982 495606161 /nfs/dbraw/zinc/60/61/61/495606161.db2.gz BHEXUNVHGBMBKO-UHFFFAOYSA-N -1 3 358.398 3.314 20 0 FGADHM CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2Cl)c(Cl)c1 ZINC000158888107 495608698 /nfs/dbraw/zinc/60/86/98/495608698.db2.gz MEXDDRSBLJCSSE-UHFFFAOYSA-N -1 3 373.261 3.462 20 0 FGADHM Cc1cnc(C[N-]S(=O)(=O)Cc2ccccc2C(F)(F)F)s1 ZINC000173637695 495627086 /nfs/dbraw/zinc/62/70/86/495627086.db2.gz SSFMWFAUODVMQO-UHFFFAOYSA-N -1 3 350.387 3.090 20 0 FGADHM Cc1cccc([O-])c1NC(=O)c1cccc(S(=O)(=O)NC2CCCC2)c1 ZINC000179547390 495635483 /nfs/dbraw/zinc/63/54/83/495635483.db2.gz DKYSOBIILCDTPP-UHFFFAOYSA-N -1 3 374.462 3.174 20 0 FGADHM CC[C@@H](CSC)[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000154545397 495650926 /nfs/dbraw/zinc/65/09/26/495650926.db2.gz FXXSNVCTTKRVLV-VIFPVBQESA-N -1 3 356.282 3.008 20 0 FGADHM Cc1ccc(Oc2ccc([N-]S(=O)(=O)C[C@@H]3CCCCO3)cn2)cc1 ZINC000150845438 495653958 /nfs/dbraw/zinc/65/39/58/495653958.db2.gz OKSAYNIJRBEQFT-KRWDZBQOSA-N -1 3 362.451 3.493 20 0 FGADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3ccn(C4CCCC4)n3)cc2)n1 ZINC000150864740 495661406 /nfs/dbraw/zinc/66/14/06/495661406.db2.gz CSRATHKQOFDBOR-UHFFFAOYSA-N -1 3 363.421 3.309 20 0 FGADHM CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)c1cccc2[n-]nnc21 ZINC000182703777 495670026 /nfs/dbraw/zinc/67/00/26/495670026.db2.gz 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ZINC000182734238 495681824 /nfs/dbraw/zinc/68/18/24/495681824.db2.gz KFBQEAUOSKKZHL-UHFFFAOYSA-N -1 3 373.800 3.463 20 0 FGADHM Cc1ccc(-c2nc(NC(=O)c3cnc(OCC4CC4)c(Cl)c3)n[n-]2)o1 ZINC000182734238 495681830 /nfs/dbraw/zinc/68/18/30/495681830.db2.gz KFBQEAUOSKKZHL-UHFFFAOYSA-N -1 3 373.800 3.463 20 0 FGADHM Cc1ccc(/C=C/CC(=O)NCCCNC(=O)c2cccc([O-])c2)cc1 ZINC000154651015 495684447 /nfs/dbraw/zinc/68/44/47/495684447.db2.gz KZIHWAIJUQDWOA-GORDUTHDSA-N -1 3 352.434 3.040 20 0 FGADHM O=C(c1ccc2n[n-]nc2c1)N(CCc1ccccc1)Cc1cccnc1 ZINC000171041542 495700293 /nfs/dbraw/zinc/70/02/93/495700293.db2.gz LTDIYBBWESTCTF-UHFFFAOYSA-N -1 3 357.417 3.238 20 0 FGADHM O=S(=O)(Cc1noc2ccccc21)[N-][C@@H](c1ccccc1)[C@@H]1CCCO1 ZINC000185750991 495709603 /nfs/dbraw/zinc/70/96/03/495709603.db2.gz BSZMCJKQLRSJKG-OALUTQOASA-N -1 3 372.446 3.168 20 0 FGADHM COc1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1Br ZINC000176671848 495742453 /nfs/dbraw/zinc/74/24/53/495742453.db2.gz KFHYKYWWBHRDGV-UHFFFAOYSA-N -1 3 360.204 3.398 20 0 FGADHM O=C(Nc1cc(Cc2ccccc2)ccc1[O-])c1cccc(-n2cnnn2)c1 ZINC000179811390 495744000 /nfs/dbraw/zinc/74/40/00/495744000.db2.gz ONLBONBQHNLMOV-UHFFFAOYSA-N -1 3 371.400 3.211 20 0 FGADHM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)cc2C)c1 ZINC000176685425 495746553 /nfs/dbraw/zinc/74/65/53/495746553.db2.gz NWEDGETYSSGBDB-UHFFFAOYSA-N -1 3 364.442 3.080 20 0 FGADHM CN1CC[C@H](NC(=O)c2ccc(O)cc2[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000182904409 495750274 /nfs/dbraw/zinc/75/02/74/495750274.db2.gz TYWJYWDAWKVCDE-RDJZCZTQSA-N -1 3 364.804 3.066 20 0 FGADHM O=S(=O)([N-]C1(c2cccc(F)c2)CCOCC1)c1cc(F)cc(F)c1 ZINC000173956634 495764106 /nfs/dbraw/zinc/76/41/06/495764106.db2.gz IDGCWEFSPBMNDN-UHFFFAOYSA-N -1 3 371.380 3.088 20 0 FGADHM O=C(c1ccc(NC([O-])=NOCc2cccnc2)cc1)N1CCCCCC1 ZINC000182941216 495766979 /nfs/dbraw/zinc/76/69/79/495766979.db2.gz XORCWZLWUYKVQE-UHFFFAOYSA-N -1 3 368.437 3.351 20 0 FGADHM O=C([N-]OCc1cccnc1)Nc1ccc(C(=O)N2CCCCCC2)cc1 ZINC000182941216 495766987 /nfs/dbraw/zinc/76/69/87/495766987.db2.gz XORCWZLWUYKVQE-UHFFFAOYSA-N -1 3 368.437 3.351 20 0 FGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)C[C@H]2OCCc3ccccc32)c1 ZINC000173971835 495769313 /nfs/dbraw/zinc/76/93/13/495769313.db2.gz NLQHYWFGSDTMIC-GOSISDBHSA-N -1 3 374.462 3.009 20 0 FGADHM O=C(Cc1ccc(NC(=O)C2CC2)cc1)N1CCCc2cccc([O-])c21 ZINC000182953338 495773744 /nfs/dbraw/zinc/77/37/44/495773744.db2.gz RLQPJBDQHVJZRQ-UHFFFAOYSA-N -1 3 350.418 3.263 20 0 FGADHM Cc1ccc(O[C@@H](C)CNC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)cc1 ZINC000154946866 495781360 /nfs/dbraw/zinc/78/13/60/495781360.db2.gz OGLGBONDBLTANJ-AWEZNQCLSA-N -1 3 368.408 3.481 20 0 FGADHM CC[C@H](C)c1cc(C(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)on1 ZINC000151258348 495786838 /nfs/dbraw/zinc/78/68/38/495786838.db2.gz BNOHPNOKRBLTAQ-ZDUSSCGKSA-N -1 3 371.437 3.385 20 0 FGADHM CC(C)Cn1cc(CN2CCC(C(=O)Nc3ccccc3[O-])CC2)cn1 ZINC000182998610 495793039 /nfs/dbraw/zinc/79/30/39/495793039.db2.gz WPIRKHDIBBPMEM-UHFFFAOYSA-N -1 3 356.470 3.095 20 0 FGADHM COc1cc(Br)c(S(=O)(=O)[N-]C2CCCC2)cc1Cl ZINC000176813872 495796036 /nfs/dbraw/zinc/79/60/36/495796036.db2.gz FQDLWASVJSGNSE-UHFFFAOYSA-N -1 3 368.680 3.332 20 0 FGADHM O=C(Nc1nnc(-c2ccccn2)[n-]1)[C@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000151290485 495796110 /nfs/dbraw/zinc/79/61/10/495796110.db2.gz KMYXSHMPLVISGT-UWVGGRQHSA-N -1 3 357.776 3.401 20 0 FGADHM O=C(Nc1nc(-c2ccccn2)n[n-]1)[C@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000151290485 495796118 /nfs/dbraw/zinc/79/61/18/495796118.db2.gz KMYXSHMPLVISGT-UWVGGRQHSA-N -1 3 357.776 3.401 20 0 FGADHM O=C(Nc1n[n-]c(-c2ccccn2)n1)[C@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000151290485 495796124 /nfs/dbraw/zinc/79/61/24/495796124.db2.gz KMYXSHMPLVISGT-UWVGGRQHSA-N -1 3 357.776 3.401 20 0 FGADHM O=C(Nc1nnc(-c2ccccn2)[n-]1)[C@@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000151290420 495796484 /nfs/dbraw/zinc/79/64/84/495796484.db2.gz KMYXSHMPLVISGT-VHSXEESVSA-N -1 3 357.776 3.401 20 0 FGADHM O=C(Nc1nc(-c2ccccn2)n[n-]1)[C@@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000151290420 495796487 /nfs/dbraw/zinc/79/64/87/495796487.db2.gz KMYXSHMPLVISGT-VHSXEESVSA-N -1 3 357.776 3.401 20 0 FGADHM O=C(Nc1n[n-]c(-c2ccccn2)n1)[C@@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000151290420 495796493 /nfs/dbraw/zinc/79/64/93/495796493.db2.gz KMYXSHMPLVISGT-VHSXEESVSA-N -1 3 357.776 3.401 20 0 FGADHM CCC[C@H](C)CS(=O)(=O)[N-][C@@H](C)c1nc(-c2cccc(OC)c2)no1 ZINC000174033922 495797164 /nfs/dbraw/zinc/79/71/64/495797164.db2.gz YNFKSOMBUSSATF-STQMWFEESA-N -1 3 367.471 3.162 20 0 FGADHM C[C@H]([N-]S(=O)(=O)Cc1cccc2cccnc21)c1nc(C(C)(C)C)no1 ZINC000174035756 495797344 /nfs/dbraw/zinc/79/73/44/495797344.db2.gz HPUFBRNKNWLMNS-LBPRGKRZSA-N -1 3 374.466 3.096 20 0 FGADHM O=C([N-]c1nc(-c2ccccc2)ns1)c1cnc(C(F)(F)F)nc1 ZINC000155066346 495822787 /nfs/dbraw/zinc/82/27/87/495822787.db2.gz VMWHLPLWNFFEBT-UHFFFAOYSA-N -1 3 351.313 3.266 20 0 FGADHM O=C(CCc1nnc(-c2ccc(Cl)cc2)o1)[N-]OCCC(F)(F)F ZINC000155091298 495832305 /nfs/dbraw/zinc/83/23/05/495832305.db2.gz AHBYQJAEAGZHRH-UHFFFAOYSA-N -1 3 363.723 3.323 20 0 FGADHM O=C(NC1(c2cccc(Br)c2)CC1)c1cccc2[n-]nnc21 ZINC000180054354 495839137 /nfs/dbraw/zinc/83/91/37/495839137.db2.gz WZYDLFWGFKLOFS-UHFFFAOYSA-N -1 3 357.211 3.140 20 0 FGADHM O=C(NC1(c2cccc(Br)c2)CC1)c1cccc2n[n-]nc21 ZINC000180054354 495839139 /nfs/dbraw/zinc/83/91/39/495839139.db2.gz WZYDLFWGFKLOFS-UHFFFAOYSA-N -1 3 357.211 3.140 20 0 FGADHM O=C(NC1(c2cccc(Br)c2)CC1)c1cccc2nn[n-]c21 ZINC000180054354 495839132 /nfs/dbraw/zinc/83/91/32/495839132.db2.gz WZYDLFWGFKLOFS-UHFFFAOYSA-N -1 3 357.211 3.140 20 0 FGADHM C[C@@H](NC(=O)c1ccc2n[n-]nc2c1)c1ccc(Br)cc1F ZINC000580658895 505807541 /nfs/dbraw/zinc/80/75/41/505807541.db2.gz IYCDYQNLUQHORM-MRVPVSSYSA-N -1 3 363.190 3.351 20 0 FGADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000155156113 495856543 /nfs/dbraw/zinc/85/65/43/495856543.db2.gz QHVNIFAVCGXZRM-SFTDATJTSA-N -1 3 367.445 3.003 20 0 FGADHM O=C(Nc1ccc(OCc2ccccn2)c(F)c1)c1cccc2nn[n-]c21 ZINC000180113311 495863013 /nfs/dbraw/zinc/86/30/13/495863013.db2.gz 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/nfs/dbraw/zinc/88/59/07/495885907.db2.gz OVFBTVZPBIULNC-UHFFFAOYSA-N -1 3 366.211 3.102 20 0 FGADHM O=C(COc1ccc(Br)cc1F)Nc1ccc([O-])cc1F ZINC000183250970 495899959 /nfs/dbraw/zinc/89/99/59/495899959.db2.gz KKOWGUKNTCZBRD-UHFFFAOYSA-N -1 3 358.138 3.450 20 0 FGADHM Cc1ccc(NC(=O)CN(C)C(=O)c2c[n-]c3c(C)cccc3c2=O)cc1 ZINC000155312939 495915404 /nfs/dbraw/zinc/91/54/04/495915404.db2.gz KIBNWNIMOPTQFR-UHFFFAOYSA-N -1 3 363.417 3.268 20 0 FGADHM CC(=O)N[C@H](CC(=O)N1CC[C@@H](C)c2cccc([O-])c21)c1ccccc1 ZINC000186264770 495919282 /nfs/dbraw/zinc/91/92/82/495919282.db2.gz QGXRNPVIJGMYMQ-RDTXWAMCSA-N -1 3 352.434 3.500 20 0 FGADHM CCO[C@@H]1C[C@H](NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)C12CCCC2 ZINC000155324011 495919672 /nfs/dbraw/zinc/91/96/72/495919672.db2.gz TUWUSDKUACJUSD-DLBZAZTESA-N -1 3 372.440 3.443 20 0 FGADHM COc1cc(CCC(=O)Nc2nnc(-c3ccccn3)[n-]2)ccc1Cl ZINC000155342069 495926602 /nfs/dbraw/zinc/92/66/02/495926602.db2.gz RUZVQLNOMCFEKH-UHFFFAOYSA-N -1 3 357.801 3.100 20 0 FGADHM 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/nfs/dbraw/zinc/96/12/32/495961232.db2.gz BTPQHHYIELKTPP-JXFKEZNVSA-N -1 3 366.417 3.092 20 0 FGADHM COC(=O)c1ccc(C(=O)Nc2ccc(-c3cn4ccccc4n3)cc2)[n-]1 ZINC000580691491 505814880 /nfs/dbraw/zinc/81/48/80/505814880.db2.gz CWBHPPUDWCRCDF-UHFFFAOYSA-N -1 3 360.373 3.368 20 0 FGADHM Nc1nc(C2CCCC2)ncc1-c1noc(Cc2ccc([O-])c(F)c2)n1 ZINC000580696715 505816148 /nfs/dbraw/zinc/81/61/48/505816148.db2.gz ICBHZERWHWSLEB-UHFFFAOYSA-N -1 3 355.373 3.032 20 0 FGADHM Cc1ccc(-c2cc(-c3nc(-c4cnn5c4nc(C)cc5C)no3)n[n-]2)o1 ZINC000171798381 496041016 /nfs/dbraw/zinc/04/10/16/496041016.db2.gz UIUQEWXMWITPCD-UHFFFAOYSA-N -1 3 361.365 3.355 20 0 FGADHM Cc1ccc(-c2cc(-c3nc(-c4cnn5c4nc(C)cc5C)no3)[n-]n2)o1 ZINC000171798381 496041019 /nfs/dbraw/zinc/04/10/19/496041019.db2.gz UIUQEWXMWITPCD-UHFFFAOYSA-N -1 3 361.365 3.355 20 0 FGADHM NC(=O)c1cccc(Oc2ccc(NC(=O)c3cccc4nn[n-]c43)cc2)c1 ZINC000183595567 496042092 /nfs/dbraw/zinc/04/20/92/496042092.db2.gz MNDSXCHDEVTNAT-UHFFFAOYSA-N -1 3 373.372 3.101 20 0 FGADHM NC(=O)c1cccc(Oc2ccc(NC(=O)c3cccc4[n-]nnc43)cc2)c1 ZINC000183595567 496042095 /nfs/dbraw/zinc/04/20/95/496042095.db2.gz MNDSXCHDEVTNAT-UHFFFAOYSA-N -1 3 373.372 3.101 20 0 FGADHM NC(=O)c1cccc(Oc2ccc(NC(=O)c3cccc4n[n-]nc43)cc2)c1 ZINC000183595567 496042098 /nfs/dbraw/zinc/04/20/98/496042098.db2.gz MNDSXCHDEVTNAT-UHFFFAOYSA-N -1 3 373.372 3.101 20 0 FGADHM CC(C)[C@H]([N-]S(=O)(=O)c1ccc(Cl)s1)c1nnc2ccccn21 ZINC000155709864 496042641 /nfs/dbraw/zinc/04/26/41/496042641.db2.gz CGCBNMMIXWNWKV-ZDUSSCGKSA-N -1 3 370.887 3.120 20 0 FGADHM C[C@H]1CN(C(=O)c2c[n-]c3ccccc3c2=O)C[C@@H](c2ccc(F)cc2)O1 ZINC000152156018 496063989 /nfs/dbraw/zinc/06/39/89/496063989.db2.gz LFHQUOZYJHTYIT-DJJJIMSYSA-N -1 3 366.392 3.269 20 0 FGADHM CC(=O)c1cccc(NC(=O)[C@H](c2ccccc2)N2CCCCC2=O)c1[O-] ZINC000571827901 505822287 /nfs/dbraw/zinc/82/22/87/505822287.db2.gz BBZDLTCORKZBAN-IBGZPJMESA-N -1 3 366.417 3.287 20 0 FGADHM CCCn1c(S[C@H](C)c2nc(C)cc(=O)[n-]2)nnc1-c1ccncc1 ZINC000155854232 496088945 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CC(C)c1ccccc1N(C)C(=O)c1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000568983900 505823758 /nfs/dbraw/zinc/82/37/58/505823758.db2.gz GUXVWOUXEPSYEU-OAQYLSRUSA-N -1 3 365.433 3.141 20 0 FGADHM CC(C)[C@H](C)C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000171976108 496115298 /nfs/dbraw/zinc/11/52/98/496115298.db2.gz WVXFDXRUZQQJOQ-VIFPVBQESA-N -1 3 352.378 3.308 20 0 FGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@@H]1CC[C@H](C)C[C@@H]1C ZINC000171985785 496118846 /nfs/dbraw/zinc/11/88/46/496118846.db2.gz BMUQBIIMWVAXNQ-SUNYJGFJSA-N -1 3 368.481 3.014 20 0 FGADHM CC(C)CCn1cc(C(=O)[N-]c2nnc(/C=C/c3ccco3)s2)nn1 ZINC000152392903 496136202 /nfs/dbraw/zinc/13/62/02/496136202.db2.gz VBSHNAHSYTXIFT-AATRIKPKSA-N -1 3 358.427 3.191 20 0 FGADHM CC[C@H](NC(=O)c1ccc2n[n-]nc2c1)c1nc(C(F)(F)F)cs1 ZINC000174860218 496136491 /nfs/dbraw/zinc/13/64/91/496136491.db2.gz GPZHJCLTJVXZKP-QMMMGPOBSA-N -1 3 355.345 3.314 20 0 FGADHM Cc1ccccc1NC(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000180807347 496154844 /nfs/dbraw/zinc/15/48/44/496154844.db2.gz RQUZEXJHPIRULK-UHFFFAOYSA-N -1 3 363.414 3.219 20 0 FGADHM Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)Nc1cc(F)ccc1[O-] ZINC000174903787 496157986 /nfs/dbraw/zinc/15/79/86/496157986.db2.gz VOHFLQPENQQHGH-UHFFFAOYSA-N -1 3 353.353 3.155 20 0 FGADHM Cc1cc(Cl)cc(NC(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)c1[O-] ZINC000172081951 496158096 /nfs/dbraw/zinc/15/80/96/496158096.db2.gz RRBTWZHMPVJKQZ-ZDUSSCGKSA-N -1 3 365.861 3.220 20 0 FGADHM O=C(CCCOc1ccccc1Br)[N-]OCc1cccnc1 ZINC000152472408 496161879 /nfs/dbraw/zinc/16/18/79/496161879.db2.gz IFXGOMMWQHHSOQ-UHFFFAOYSA-N -1 3 365.227 3.251 20 0 FGADHM O=C([O-])c1ccccc1OCCN1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000183930065 496165556 /nfs/dbraw/zinc/16/55/56/496165556.db2.gz JFAMJOJSEZEURD-HOCLYGCPSA-N -1 3 361.463 3.413 20 0 FGADHM CN(C(=O)c1cc(F)c([O-])c(F)c1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000186845388 496178777 /nfs/dbraw/zinc/17/87/77/496178777.db2.gz CIXBWOWTUFVWON-INIZCTEOSA-N -1 3 360.404 3.407 20 0 FGADHM 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/nfs/dbraw/zinc/20/24/07/496202407.db2.gz APNXJDNYZHMAPF-UHFFFAOYSA-N -1 3 360.395 3.172 20 0 FGADHM CCOC(=O)c1cc(NC(=O)c2ccc(Br)cc2Cl)n[n-]1 ZINC000180924430 496202577 /nfs/dbraw/zinc/20/25/77/496202577.db2.gz ASHFTMKHNYRPGZ-UHFFFAOYSA-N -1 3 372.606 3.255 20 0 FGADHM CCOC(=O)c1cc(NC(=O)c2ccc(Br)cc2Cl)[n-]n1 ZINC000180924430 496202583 /nfs/dbraw/zinc/20/25/83/496202583.db2.gz ASHFTMKHNYRPGZ-UHFFFAOYSA-N -1 3 372.606 3.255 20 0 FGADHM CCOC(=O)c1cc(NC(=O)[C@@H](C)Sc2ccccc2Cl)n[n-]1 ZINC000180940648 496208207 /nfs/dbraw/zinc/20/82/07/496208207.db2.gz VDWVXNZYKZDNGV-SECBINFHSA-N -1 3 353.831 3.359 20 0 FGADHM CCOC(=O)c1cc(NC(=O)[C@@H](C)Sc2ccccc2Cl)[n-]n1 ZINC000180940648 496208209 /nfs/dbraw/zinc/20/82/09/496208209.db2.gz VDWVXNZYKZDNGV-SECBINFHSA-N -1 3 353.831 3.359 20 0 FGADHM COC(=O)[C@H](C)Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000184039681 496214827 /nfs/dbraw/zinc/21/48/27/496214827.db2.gz ZPOGJRZMBIPMSI-OAHLLOKOSA-N -1 3 361.463 3.456 20 0 FGADHM COc1ccc([C@H](C)CCNC(=O)c2c[n-]nc2-c2ccccn2)cc1 ZINC000574681514 505830882 /nfs/dbraw/zinc/83/08/82/505830882.db2.gz ALDUUENIXDCOLQ-CQSZACIVSA-N -1 3 350.422 3.404 20 0 FGADHM COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[S@](=O)c1cccc([O-])c1 ZINC000184076952 496228505 /nfs/dbraw/zinc/22/85/05/496228505.db2.gz SCORZVHHCICOSU-BUBHHJDNSA-N -1 3 367.854 3.497 20 0 FGADHM COc1ccc(C(=O)N[C@@H](C)c2c(C)nn(CC(F)(F)F)c2C)c([O-])c1 ZINC000181007450 496238875 /nfs/dbraw/zinc/23/88/75/496238875.db2.gz ATTDTLBKQIMTSP-VIFPVBQESA-N -1 3 371.359 3.267 20 0 FGADHM CC(C)(C)Oc1ccc(C[N-]S(=O)(=O)c2cc(F)ccc2F)cn1 ZINC000181016020 496242544 /nfs/dbraw/zinc/24/25/44/496242544.db2.gz LANKUFLZYSTYQV-UHFFFAOYSA-N -1 3 356.394 3.016 20 0 FGADHM Cc1cc(=O)[n-]c([C@H](C)N2CCN(c3ncc(Cl)cc3Cl)CC2)n1 ZINC000177918429 496251804 /nfs/dbraw/zinc/25/18/04/496251804.db2.gz OHPKYSUPCYTHCH-NSHDSACASA-N -1 3 368.268 3.076 20 0 FGADHM Cc1ccc(SCCC(=O)NCCNC(=O)c2ccc([O-])cc2)cc1C ZINC000156570616 496282176 /nfs/dbraw/zinc/28/21/76/496282176.db2.gz RTQSYSWFEKPTDN-UHFFFAOYSA-N -1 3 372.490 3.037 20 0 FGADHM Cc1ccc(CS(=O)(=O)[N-]c2nc3cc(F)ccc3n2C)cc1F ZINC000184199726 496283713 /nfs/dbraw/zinc/28/37/13/496283713.db2.gz FTTIPXUDOXEBHX-UHFFFAOYSA-N -1 3 351.378 3.102 20 0 FGADHM COC[C@]1(C(=O)[O-])CCCN([C@@H](C)c2cccc(Br)c2)C1 ZINC000574697094 505834602 /nfs/dbraw/zinc/83/46/02/505834602.db2.gz JPRSQZDENLNZPL-LRDDRELGSA-N -1 3 356.260 3.323 20 0 FGADHM CCN(C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C1CC1 ZINC000184209859 496286959 /nfs/dbraw/zinc/28/69/59/496286959.db2.gz WBQRGAOPIFNUTO-IBGZPJMESA-N -1 3 352.434 3.264 20 0 FGADHM O=C(NCc1ccc([O-])c(Br)c1)[C@@H]1COc2ccccc2C1 ZINC000178022344 496290152 /nfs/dbraw/zinc/29/01/52/496290152.db2.gz CCZAUNGFNWWPES-ZDUSSCGKSA-N -1 3 362.223 3.022 20 0 FGADHM O=C(Nc1cc(CCc2ccccc2)ccn1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000175231287 496301214 /nfs/dbraw/zinc/30/12/14/496301214.db2.gz RQFMNEIPFMCYFF-UHFFFAOYSA-N -1 3 371.396 3.003 20 0 FGADHM COCc1nc(C)c(C(=O)Nc2ccc(Br)cc2[O-])s1 ZINC000152953290 496305951 /nfs/dbraw/zinc/30/59/51/496305951.db2.gz RABUSGKSOVQNDI-UHFFFAOYSA-N -1 3 357.229 3.318 20 0 FGADHM O=S(=O)(Cc1c(Cl)cccc1Cl)[N-][C@H](CCO)c1ccco1 ZINC000184268681 496311876 /nfs/dbraw/zinc/31/18/76/496311876.db2.gz MRUFBWIBFAYNGA-CYBMUJFWSA-N -1 3 364.250 3.130 20 0 FGADHM C[C@@H](SCc1ncnn1C)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000175277638 496319255 /nfs/dbraw/zinc/31/92/55/496319255.db2.gz MLZHBGAPUJSGRB-SECBINFHSA-N -1 3 373.463 3.368 20 0 FGADHM CC(C)n1cnc(S(=O)(=O)[N-]CCCCCOC2CCCCC2)c1 ZINC000152994873 496320194 /nfs/dbraw/zinc/32/01/94/496320194.db2.gz JRAGZZFKWKTBLX-UHFFFAOYSA-N -1 3 357.520 3.262 20 0 FGADHM CCOCCC1(C[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)CC1 ZINC000156829998 496343524 /nfs/dbraw/zinc/34/35/24/496343524.db2.gz NODVKZRRTNNBRU-UHFFFAOYSA-N -1 3 369.380 3.330 20 0 FGADHM CSCCCCCCNC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000184360115 496351477 /nfs/dbraw/zinc/35/14/77/496351477.db2.gz UYYBLPXBMIOKIF-MRXNPFEDSA-N -1 3 364.511 3.036 20 0 FGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]Cc1c(C)cc(C)cc1C ZINC000156873415 496353087 /nfs/dbraw/zinc/35/30/87/496353087.db2.gz DAELDCWDTUNXCA-UHFFFAOYSA-N -1 3 365.426 3.016 20 0 FGADHM CC[C@H]1CN(c2ccccc2)CCN1C(=O)c1c[n-]c2ccccc2c1=O ZINC000184372945 496357552 /nfs/dbraw/zinc/35/75/52/496357552.db2.gz KHVHKNDJANBNSX-INIZCTEOSA-N -1 3 361.445 3.269 20 0 FGADHM COC(=O)c1cc(S(=O)(=O)[N-]c2c(Cl)cccc2Cl)oc1C ZINC000181342171 496359940 /nfs/dbraw/zinc/35/99/40/496359940.db2.gz XJOURVNDRJUWNM-UHFFFAOYSA-N -1 3 364.206 3.482 20 0 FGADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)C1[C@@H]2CCC[C@H]12 ZINC000178193993 496365247 /nfs/dbraw/zinc/36/52/47/496365247.db2.gz IGYQPEVHGGVCIY-HWYHXSKPSA-N -1 3 362.373 3.062 20 0 FGADHM C[C@H]1c2cccn2CCN1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000178268296 496394391 /nfs/dbraw/zinc/39/43/91/496394391.db2.gz GJZZIZVGRYICDG-NSHDSACASA-N -1 3 364.243 3.243 20 0 FGADHM O=S(=O)([N-][C@@H]1CCO[C@@H](C2CC2)C1)c1cc(Cl)cc(Cl)c1 ZINC000162690550 496397800 /nfs/dbraw/zinc/39/78/00/496397800.db2.gz SXTRGODYKQMJRV-TZMCWYRMSA-N -1 3 350.267 3.229 20 0 FGADHM O=C(N[C@@H]1COc2ccccc2C1=O)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000187341772 496401307 /nfs/dbraw/zinc/40/13/07/496401307.db2.gz OFRHVUBKZGCXJF-LLVKDONJSA-N -1 3 373.821 3.165 20 0 FGADHM Cc1c(Cl)cccc1NC(=O)NCCCNC(=O)c1cccc([O-])c1 ZINC000153264428 496402474 /nfs/dbraw/zinc/40/24/74/496402474.db2.gz HUBWCUPMKGMCMY-UHFFFAOYSA-N -1 3 361.829 3.296 20 0 FGADHM Cc1cccc2c(=O)c(C(=O)NC3CCN(CC(F)(F)F)CC3)c[n-]c12 ZINC000162729636 496404210 /nfs/dbraw/zinc/40/42/10/496404210.db2.gz PLUUXKSVDDBQDD-UHFFFAOYSA-N -1 3 367.371 3.005 20 0 FGADHM CN(Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1)C[C@@H]1CCCC[C@@H]1O ZINC000181472931 496410981 /nfs/dbraw/zinc/41/09/81/496410981.db2.gz ZPHAARMKNZGJSO-JSGCOSHPSA-N -1 3 373.478 3.228 20 0 FGADHM CC(C)c1nc2n(n1)CCC[C@H]2[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000157131480 496412965 /nfs/dbraw/zinc/41/29/65/496412965.db2.gz WWZSBMWOBTZHBA-GFCCVEGCSA-N -1 3 372.853 3.007 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N[C@@H]3CCOc4ccc(F)cc43)c[n-]c12 ZINC000178336422 496417662 /nfs/dbraw/zinc/41/76/62/496417662.db2.gz ZYVNEKAMCIADLZ-MRXNPFEDSA-N -1 3 370.355 3.368 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1cccc(C(C)(F)F)c1 ZINC000187377575 496417784 /nfs/dbraw/zinc/41/77/84/496417784.db2.gz AXRVGYRWXRTWHN-SNVBAGLBSA-N -1 3 374.434 3.165 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]C2C[C@H](C)O[C@@H](C)C2)c(Cl)c1Cl ZINC000162833510 496419105 /nfs/dbraw/zinc/41/91/05/496419105.db2.gz PREIQVNGFKITCJ-IUCAKERBSA-N -1 3 368.282 3.236 20 0 FGADHM CC[C@H]1CCCC[C@@H]1OCC(=O)Nc1n[n-]c(-c2ccccc2OC)n1 ZINC000184533168 496426762 /nfs/dbraw/zinc/42/67/62/496426762.db2.gz BFMHMYYVKQQKHA-ZFWWWQNUSA-N -1 3 358.442 3.404 20 0 FGADHM C[C@H](Oc1cccc(CO)c1)C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000153356942 496430400 /nfs/dbraw/zinc/43/04/00/496430400.db2.gz AQLPHIKAKUGDTO-JTQLQIEISA-N -1 3 355.312 3.309 20 0 FGADHM O=C(c1c[n-]c2ccccc2c1=O)N(CCc1ccccc1)[C@H]1CCOC1 ZINC000162906789 496431963 /nfs/dbraw/zinc/43/19/63/496431963.db2.gz GQKOWWPMAMWQPY-KRWDZBQOSA-N -1 3 362.429 3.002 20 0 FGADHM O=S(=O)(Cc1c(F)cccc1F)[N-]C1(c2nccs2)CCCC1 ZINC000162952015 496439464 /nfs/dbraw/zinc/43/94/64/496439464.db2.gz CNIHYEPQUBVGRK-UHFFFAOYSA-N -1 3 358.435 3.310 20 0 FGADHM Cc1nc(C(=O)[N-]c2n[nH]c(C3CCC3)n2)nn1-c1ccccc1C(C)C ZINC000184563147 496441381 /nfs/dbraw/zinc/44/13/81/496441381.db2.gz SNPDIMDHLKNVHM-UHFFFAOYSA-N -1 3 365.441 3.337 20 0 FGADHM CC[C@@H]1[C@H](C)CCN1C(=O)Cc1csc(NC(=O)c2cccc([O-])c2)n1 ZINC000187442372 496442411 /nfs/dbraw/zinc/44/24/11/496442411.db2.gz XNIYDIUKCIWTOY-MLGOLLRUSA-N -1 3 373.478 3.291 20 0 FGADHM CN(Cc1csc(Br)c1)C(=O)c1cccc2[n-]nnc21 ZINC000187473995 496456691 /nfs/dbraw/zinc/45/66/91/496456691.db2.gz RJQYYLPJVQOUHX-UHFFFAOYSA-N -1 3 351.229 3.054 20 0 FGADHM CN(Cc1csc(Br)c1)C(=O)c1cccc2nn[n-]c21 ZINC000187473995 496456695 /nfs/dbraw/zinc/45/66/95/496456695.db2.gz RJQYYLPJVQOUHX-UHFFFAOYSA-N -1 3 351.229 3.054 20 0 FGADHM CN(Cc1csc(Br)c1)C(=O)c1cccc2n[n-]nc21 ZINC000187473995 496456698 /nfs/dbraw/zinc/45/66/98/496456698.db2.gz RJQYYLPJVQOUHX-UHFFFAOYSA-N -1 3 351.229 3.054 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3ccc(-n4cccn4)cc3)c[n-]c12 ZINC000163051716 496457265 /nfs/dbraw/zinc/45/72/65/496457265.db2.gz UBPJVYXOCKXTTA-UHFFFAOYSA-N -1 3 362.364 3.414 20 0 FGADHM C[C@H](c1ccc(Br)cc1)N1CCN(CCCCC(=O)[O-])CC1 ZINC000181587855 496458964 /nfs/dbraw/zinc/45/89/64/496458964.db2.gz DLTQWABBRYLINS-CQSZACIVSA-N -1 3 369.303 3.383 20 0 FGADHM COc1ccc(-c2csc([N-]c3ncnc4nn(C)cc43)n2)cc1F ZINC000163130556 496470373 /nfs/dbraw/zinc/47/03/73/496470373.db2.gz NOPNWDASGOAICS-UHFFFAOYSA-N -1 3 356.386 3.378 20 0 FGADHM O=C(c1ccc(O)cc1[O-])N1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000163262360 496489766 /nfs/dbraw/zinc/48/97/66/496489766.db2.gz USUWUCWHWINHCT-LBPRGKRZSA-N -1 3 358.463 3.453 20 0 FGADHM O=S(=O)([N-]C1(c2ccc(OC(F)(F)F)cc2)CC1)c1cscn1 ZINC000574752877 505847747 /nfs/dbraw/zinc/84/77/47/505847747.db2.gz YKWIHQHRHQCWAO-UHFFFAOYSA-N -1 3 364.370 3.009 20 0 FGADHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(F)F)cc2)c(C)c1O ZINC000181677579 496499712 /nfs/dbraw/zinc/49/97/12/496499712.db2.gz LZXHPNSHXRENKI-UHFFFAOYSA-N -1 3 357.378 3.454 20 0 FGADHM CC[C@](C)([N-]S(=O)(=O)c1ccc(OC)c(F)c1C)c1nccs1 ZINC000181696477 496506094 /nfs/dbraw/zinc/50/60/94/496506094.db2.gz CCBUDBDJSHIAJF-HNNXBMFYSA-N -1 3 358.460 3.203 20 0 FGADHM C[C@H](C(=O)Nc1cc(-c2nccn2C)[n-]n1)c1ccc(Br)cc1 ZINC000153616695 496518713 /nfs/dbraw/zinc/51/87/13/496518713.db2.gz UEVDZMYJJFHBCR-JTQLQIEISA-N -1 3 374.242 3.315 20 0 FGADHM C[C@H](C(=O)Nc1cc(-c2nccn2C)n[n-]1)c1ccc(Br)cc1 ZINC000153616695 496518717 /nfs/dbraw/zinc/51/87/17/496518717.db2.gz UEVDZMYJJFHBCR-JTQLQIEISA-N -1 3 374.242 3.315 20 0 FGADHM C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1cnc2c(cnn2C)c1[O-] ZINC000181723359 496519300 /nfs/dbraw/zinc/51/93/00/496519300.db2.gz SXAFTVBQXXYWOU-SNVBAGLBSA-N -1 3 367.434 3.117 20 0 FGADHM Cc1ccc(C(=O)N2CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000163472368 496519908 /nfs/dbraw/zinc/51/99/08/496519908.db2.gz KINMKHYEVCPUOE-GJZGRUSLSA-N -1 3 362.470 3.466 20 0 FGADHM Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)Nc2ccc(Cl)cc2[O-])cc1 ZINC000153628126 496524141 /nfs/dbraw/zinc/52/41/41/496524141.db2.gz KBMLOYNPFHAGES-MRXNPFEDSA-N -1 3 358.825 3.484 20 0 FGADHM COc1cc(N[C@@H]2CCCN(C(=O)c3cccc(C)c3[O-])C2)cc(OC)c1 ZINC000163510328 496525611 /nfs/dbraw/zinc/52/56/11/496525611.db2.gz DKLLTEIGEGUMJD-OAHLLOKOSA-N -1 3 370.449 3.435 20 0 FGADHM O=C(c1cccc2[n-]nnc21)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000187690505 496536556 /nfs/dbraw/zinc/53/65/56/496536556.db2.gz AXVZHPGQUKKZLB-MRXNPFEDSA-N -1 3 374.404 3.375 20 0 FGADHM O=C(c1cccc2nn[n-]c21)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000187690505 496536561 /nfs/dbraw/zinc/53/65/61/496536561.db2.gz AXVZHPGQUKKZLB-MRXNPFEDSA-N -1 3 374.404 3.375 20 0 FGADHM O=C(c1cccc2n[n-]nc21)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000187690505 496536568 /nfs/dbraw/zinc/53/65/68/496536568.db2.gz AXVZHPGQUKKZLB-MRXNPFEDSA-N -1 3 374.404 3.375 20 0 FGADHM CCCC(CCC)C(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000178693986 496543740 /nfs/dbraw/zinc/54/37/40/496543740.db2.gz RPNYTCMTOSVGPT-UHFFFAOYSA-N -1 3 372.556 3.234 20 0 FGADHM Cc1cccc2c(=O)c(C(=O)Nc3cnn(CC(F)(F)F)c3)c[n-]c12 ZINC000163815426 496560686 /nfs/dbraw/zinc/56/06/86/496560686.db2.gz CMGONTIPVJKTFH-UHFFFAOYSA-N -1 3 350.300 3.260 20 0 FGADHM COc1cc(C(=O)NCc2coc(-c3ccc(C)cc3)n2)cc(OC)c1[O-] ZINC000163831746 496562133 /nfs/dbraw/zinc/56/21/33/496562133.db2.gz ZTVAFJSHDFKSCY-UHFFFAOYSA-N -1 3 368.389 3.303 20 0 FGADHM CC[C@@H]([N-]S(=O)(=O)c1ccc(OC)c(Cl)c1Cl)[C@H]1CCCO1 ZINC000157829968 496565624 /nfs/dbraw/zinc/56/56/24/496565624.db2.gz BNMGTMNZWAVUEF-NXEZZACHSA-N -1 3 368.282 3.238 20 0 FGADHM COC(=O)[C@@H](NC(=O)Cc1ccc([O-])cc1Cl)c1cc(C)cc(C)c1 ZINC000187776877 496567113 /nfs/dbraw/zinc/56/71/13/496567113.db2.gz YQWLIDOSQRPNGF-SFHVURJKSA-N -1 3 361.825 3.235 20 0 FGADHM Cc1cc(Cl)cc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])c1O ZINC000175839132 496567867 /nfs/dbraw/zinc/56/78/67/496567867.db2.gz DTVKZLWRAPREKV-OAHLLOKOSA-N -1 3 374.824 3.303 20 0 FGADHM Cc1cccc(F)c1S(=O)(=O)[N-]Cc1nc(C(F)(F)F)cs1 ZINC000184897399 496575421 /nfs/dbraw/zinc/57/54/21/496575421.db2.gz FKVMBFLZNRLMOG-UHFFFAOYSA-N -1 3 354.350 3.088 20 0 FGADHM CCCc1ccccc1NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000153779147 496577176 /nfs/dbraw/zinc/57/71/76/496577176.db2.gz CWGSVQIHTQRKBH-UHFFFAOYSA-N -1 3 372.899 3.271 20 0 FGADHM COCc1c(C(=O)[N-]c2nnc(CC(C)C)s2)cnn1-c1ccccc1 ZINC000184912890 496581663 /nfs/dbraw/zinc/58/16/63/496581663.db2.gz HYUYUNHKKWAVDB-UHFFFAOYSA-N -1 3 371.466 3.321 20 0 FGADHM CC(C)[C@@H](C(=O)N1CCN(C(=O)c2cccc([O-])c2)CC1)c1ccccc1 ZINC000175878396 496584643 /nfs/dbraw/zinc/58/46/43/496584643.db2.gz DXUXMVYLMZWBOW-HXUWFJFHSA-N -1 3 366.461 3.116 20 0 FGADHM Cc1cccc(CS(=O)(=O)[N-][C@H](C)c2noc(Cc3ccccc3)n2)c1 ZINC000175878407 496585046 /nfs/dbraw/zinc/58/50/46/496585046.db2.gz DTPHISSYZBEHNZ-OAHLLOKOSA-N -1 3 371.462 3.149 20 0 FGADHM O=c1[n-]nc(SCCCc2ccccc2Cl)n1C[C@H]1CCCO1 ZINC000181896785 496590439 /nfs/dbraw/zinc/59/04/39/496590439.db2.gz CYJIUOFMLGDMEI-CYBMUJFWSA-N -1 3 353.875 3.129 20 0 FGADHM Cc1ccc(N2CCC([N-]S(=O)(=O)c3ccc(Cl)s3)CC2)nc1 ZINC000173211460 496595255 /nfs/dbraw/zinc/59/52/55/496595255.db2.gz VEBTZKFOHKZFDT-UHFFFAOYSA-N -1 3 371.915 3.052 20 0 FGADHM CSc1ccc([C@@H](CNC(=O)c2c(F)ccc([O-])c2F)N(C)C)cc1 ZINC000571954375 505854078 /nfs/dbraw/zinc/85/40/78/505854078.db2.gz BQUUNANMLXZZOA-CQSZACIVSA-N -1 3 366.433 3.425 20 0 FGADHM CC(C)c1ncc(C(=O)Nc2ccc(F)c([N-]S(C)(=O)=O)c2)s1 ZINC000178955049 496628761 /nfs/dbraw/zinc/62/87/61/496628761.db2.gz NLZTUHHLQISJRQ-UHFFFAOYSA-N -1 3 357.432 3.029 20 0 FGADHM O=C(CCc1ncc(-c2ccccc2Cl)o1)[N-]OC[C@H]1CCOC1 ZINC000187962703 496633094 /nfs/dbraw/zinc/63/30/94/496633094.db2.gz FTAXKXBDTDOSEV-LBPRGKRZSA-N -1 3 350.802 3.012 20 0 FGADHM COCCC(C)(C)C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000185043442 496634508 /nfs/dbraw/zinc/63/45/08/496634508.db2.gz KGFGARAZUMFKJU-UHFFFAOYSA-N -1 3 357.369 3.186 20 0 FGADHM Cc1cccc2c(=O)c(C(=O)N3CCO[C@H](c4cccc(O)c4)C3)c[n-]c12 ZINC000165057194 496646276 /nfs/dbraw/zinc/64/62/76/496646276.db2.gz XLBHIWLVTJWLFT-SFHVURJKSA-N -1 3 364.401 3.168 20 0 FGADHM Cc1cccc2c(=O)c(C(=O)N[C@@H]3CCO[C@@]4(CCSC4)C3)c[n-]c12 ZINC000165115267 496648676 /nfs/dbraw/zinc/64/86/76/496648676.db2.gz MNHZUSQTSZUIQE-YJYMSZOUSA-N -1 3 358.463 3.033 20 0 FGADHM COc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1-c1ccccn1 ZINC000165750280 496667504 /nfs/dbraw/zinc/66/75/04/496667504.db2.gz QZFWPXDHADEYNT-UHFFFAOYSA-N -1 3 372.388 3.190 20 0 FGADHM COc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1-c1ccccn1 ZINC000165750280 496667509 /nfs/dbraw/zinc/66/75/09/496667509.db2.gz QZFWPXDHADEYNT-UHFFFAOYSA-N -1 3 372.388 3.190 20 0 FGADHM CC[C@H]1CCc2nc(NC(=O)c3c(C)[n-]c(=O)nc3SC)sc2C1 ZINC000176068777 496669878 /nfs/dbraw/zinc/66/98/78/496669878.db2.gz GRJFFAQGWYACNP-VIFPVBQESA-N -1 3 364.496 3.024 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)c3cc4c(cccc4F)[nH]3)[n-]c21 ZINC000158405492 496694239 /nfs/dbraw/zinc/69/42/39/496694239.db2.gz YHJQLGRSSQBEFC-UHFFFAOYSA-N -1 3 352.325 3.222 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cc4c(cccc4F)[nH]3)nc21 ZINC000158405492 496694243 /nfs/dbraw/zinc/69/42/43/496694243.db2.gz YHJQLGRSSQBEFC-UHFFFAOYSA-N -1 3 352.325 3.222 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)c3cccc4ccc(C)nc43)[n-]c21 ZINC000158408236 496696182 /nfs/dbraw/zinc/69/61/82/496696182.db2.gz MDYWAIVZMAINEH-UHFFFAOYSA-N -1 3 360.373 3.458 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cccc4ccc(C)nc43)nc21 ZINC000158408236 496696188 /nfs/dbraw/zinc/69/61/88/496696188.db2.gz MDYWAIVZMAINEH-UHFFFAOYSA-N -1 3 360.373 3.458 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CCO[C@@H](c3ccccc3)C2)c1 ZINC000158464784 496706470 /nfs/dbraw/zinc/70/64/70/496706470.db2.gz HJDCDHIJKXMQRG-VQIMIIECSA-N -1 3 354.406 3.001 20 0 FGADHM O=C(Cc1ccc(F)cc1Br)NCc1ccc([O-])c(F)c1 ZINC000188170228 496707468 /nfs/dbraw/zinc/70/74/68/496707468.db2.gz CJTAVSBXXMOJBM-UHFFFAOYSA-N -1 3 356.166 3.292 20 0 FGADHM Cc1nc(C)c(S(=O)(=O)[N-][C@H](C)Cc2nc3ccccc3s2)s1 ZINC000179263187 496722938 /nfs/dbraw/zinc/72/29/38/496722938.db2.gz TXRCORHVRBQWSO-SECBINFHSA-N -1 3 367.521 3.279 20 0 FGADHM O=C([N-]c1ccncc1F)c1cn(-c2ccccc2C(F)(F)F)nn1 ZINC000179285649 496726384 /nfs/dbraw/zinc/72/63/84/496726384.db2.gz HNPYLNQUPXATSF-UHFFFAOYSA-N -1 3 351.263 3.073 20 0 FGADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2nc(Cl)ccc2Cl)CC1 ZINC000273186687 496734839 /nfs/dbraw/zinc/73/48/39/496734839.db2.gz LLIBYVJGHFRYQF-UHFFFAOYSA-N -1 3 366.248 3.052 20 0 FGADHM CC(C)c1ccc(CN[C@@H](CC(=O)OCc2ccccc2)C(=O)[O-])cc1 ZINC000277431829 496771599 /nfs/dbraw/zinc/77/15/99/496771599.db2.gz UCYMATYRQOJPDE-IBGZPJMESA-N -1 3 355.434 3.486 20 0 FGADHM COc1ccc([C@H]2CCCN2C(=O)c2cc(F)cc3[n-]nnc32)cc1OC ZINC000277483225 496787366 /nfs/dbraw/zinc/78/73/66/496787366.db2.gz QOOFWIGEBJYMHK-OAHLLOKOSA-N -1 3 370.384 3.092 20 0 FGADHM COc1ccc([C@H]2CCCN2C(=O)c2cc(F)cc3nn[n-]c32)cc1OC ZINC000277483225 496787373 /nfs/dbraw/zinc/78/73/73/496787373.db2.gz QOOFWIGEBJYMHK-OAHLLOKOSA-N -1 3 370.384 3.092 20 0 FGADHM COc1ccc([C@H]2CCCN2C(=O)c2cc(F)cc3n[n-]nc32)cc1OC ZINC000277483225 496787379 /nfs/dbraw/zinc/78/73/79/496787379.db2.gz QOOFWIGEBJYMHK-OAHLLOKOSA-N -1 3 370.384 3.092 20 0 FGADHM COc1cc(Cl)ccc1C(=O)Nc1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000195007426 496789255 /nfs/dbraw/zinc/78/92/55/496789255.db2.gz JERYOZIASGYNMM-UHFFFAOYSA-N -1 3 372.805 3.112 20 0 FGADHM CCC(CC)[C@@H](O)CNC(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000188564349 496833191 /nfs/dbraw/zinc/83/31/91/496833191.db2.gz DYKPXMLTOMGXRS-IBGZPJMESA-N -1 3 355.434 3.150 20 0 FGADHM CN(C(=O)c1ccc2n[n-]nc2c1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273564533 496841599 /nfs/dbraw/zinc/84/15/99/496841599.db2.gz JAVZRHYEOVQYCC-QAPCUYQASA-N -1 3 354.385 3.089 20 0 FGADHM CCc1ccc(C(=O)N[C@@H](c2noc(C)n2)c2ccccc2OC)c([O-])c1 ZINC000191655497 496847505 /nfs/dbraw/zinc/84/75/05/496847505.db2.gz IMQOFOMXCFZYLT-GOSISDBHSA-N -1 3 367.405 3.174 20 0 FGADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)C1CCCC1 ZINC000264244637 496849972 /nfs/dbraw/zinc/84/99/72/496849972.db2.gz KDHXNOGSISNOMQ-UHFFFAOYSA-N -1 3 350.362 3.206 20 0 FGADHM Cc1ccc2c(c1)[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)CO2 ZINC000580926139 505869720 /nfs/dbraw/zinc/86/97/20/505869720.db2.gz QPISKHAUEBEVGX-SNVBAGLBSA-N -1 3 363.382 3.487 20 0 FGADHM CCCCSCCc1nc(-c2ccc([N-]S(C)(=O)=O)cc2)no1 ZINC000273687181 496875686 /nfs/dbraw/zinc/87/56/86/496875686.db2.gz HVMFKEOQDZNNGQ-UHFFFAOYSA-N -1 3 355.485 3.184 20 0 FGADHM COc1cccc(N2CC[C@H](CNC(=O)c3cc([O-])ccc3Cl)C2)c1 ZINC000277780155 496884854 /nfs/dbraw/zinc/88/48/54/496884854.db2.gz UEMVATLFCNTYJS-CYBMUJFWSA-N -1 3 360.841 3.311 20 0 FGADHM O=c1nc(Cc2noc(C[C@@H]3CCCCO3)n2)[n-]c2scc(C3CC3)c21 ZINC000273743886 496891895 /nfs/dbraw/zinc/89/18/95/496891895.db2.gz MLXASBGNPHBIDA-NSHDSACASA-N -1 3 372.450 3.360 20 0 FGADHM Cc1ccc(NC(=O)c2cc(F)cc3[n-]nnc32)c(OC[C@H]2CCCO2)c1 ZINC000277832355 496903467 /nfs/dbraw/zinc/90/34/67/496903467.db2.gz XOIGFKOFKMQCKC-CYBMUJFWSA-N -1 3 370.384 3.216 20 0 FGADHM Cc1ccc(NC(=O)c2cc(F)cc3nn[n-]c32)c(OC[C@H]2CCCO2)c1 ZINC000277832355 496903472 /nfs/dbraw/zinc/90/34/72/496903472.db2.gz XOIGFKOFKMQCKC-CYBMUJFWSA-N -1 3 370.384 3.216 20 0 FGADHM Cc1ccc(NC(=O)c2cc(F)cc3n[n-]nc32)c(OC[C@H]2CCCO2)c1 ZINC000277832355 496903477 /nfs/dbraw/zinc/90/34/77/496903477.db2.gz XOIGFKOFKMQCKC-CYBMUJFWSA-N -1 3 370.384 3.216 20 0 FGADHM CC(C)(C)n1cc(C(=O)[N-]c2c(F)cc(Br)cc2F)nn1 ZINC000191910018 496928857 /nfs/dbraw/zinc/92/88/57/496928857.db2.gz KGCRBLSDJNEDBJ-UHFFFAOYSA-N -1 3 359.174 3.326 20 0 FGADHM C[C@@H]1CN(Cc2cc(=O)[n-]c(-c3ccccc3)n2)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000569196300 505874512 /nfs/dbraw/zinc/87/45/12/505874512.db2.gz LSZKYEXEUIWSGU-ZOCZFRKYSA-N -1 3 369.465 3.008 20 0 FGADHM CC(C)OCCCNC(=O)Cc1noc(-c2ccc(C(C)C)cc2[O-])n1 ZINC000277955055 496949596 /nfs/dbraw/zinc/94/95/96/496949596.db2.gz PGKKLKLMAJBRJD-UHFFFAOYSA-N -1 3 361.442 3.039 20 0 FGADHM O=S(=O)([N-][C@H]1COc2ccccc2C1)c1cccc(Cl)c1Cl ZINC000195586033 496951622 /nfs/dbraw/zinc/95/16/22/496951622.db2.gz GETOKHFGUZUWEC-LLVKDONJSA-N -1 3 358.246 3.275 20 0 FGADHM COc1cc(C)cc(-c2nc(-c3ccc(N4CCCC4)cn3)no2)c1[O-] ZINC000273912986 496955439 /nfs/dbraw/zinc/95/54/39/496955439.db2.gz QDJTUCZRKFBXOM-UHFFFAOYSA-N -1 3 352.394 3.421 20 0 FGADHM CS(=O)(=O)[N-]c1cc(-c2nc([C@@H]3CCCCS3)no2)ccc1F ZINC000274001421 496988606 /nfs/dbraw/zinc/98/86/06/496988606.db2.gz MLDFFETYFRXRJU-LBPRGKRZSA-N -1 3 357.432 3.205 20 0 FGADHM Cc1ccc2[nH]c3c(c2c1)C[C@@H](NC(=O)c1cc(=O)[n-]c(C2CC2)n1)CC3 ZINC000580961351 505877817 /nfs/dbraw/zinc/87/78/17/505877817.db2.gz QGBCTACLYHCZNH-ZDUSSCGKSA-N -1 3 362.433 3.137 20 0 FGADHM Cc1ccc(NC(=O)C(=O)[N-]c2cnns2)cc1OCC1CCCCC1 ZINC000192091384 496992044 /nfs/dbraw/zinc/99/20/44/496992044.db2.gz SPJPLOAKALUGOR-UHFFFAOYSA-N -1 3 374.466 3.383 20 0 FGADHM CCCCN(C)S(=O)(=O)[N-]c1cc(Cl)ccc1O[C@@H](C)COC ZINC000189075228 496999472 /nfs/dbraw/zinc/99/94/72/496999472.db2.gz YGHSMMMSDGVFRF-LBPRGKRZSA-N -1 3 364.895 3.142 20 0 FGADHM Cc1ccc(-c2cc(C(=O)Nc3ccc4nnc(C(C)C)n4c3)n[n-]2)o1 ZINC000189080987 497001300 /nfs/dbraw/zinc/00/13/00/497001300.db2.gz PCQUMQAREZLBGY-UHFFFAOYSA-N -1 3 350.382 3.397 20 0 FGADHM Cc1ccc(-c2cc(C(=O)Nc3ccc4nnc(C(C)C)n4c3)[n-]n2)o1 ZINC000189080987 497001304 /nfs/dbraw/zinc/00/13/04/497001304.db2.gz PCQUMQAREZLBGY-UHFFFAOYSA-N -1 3 350.382 3.397 20 0 FGADHM CCOC(=O)N1CCC[C@@H](c2nc(-c3ccc([O-])c(OCC)c3)no2)C1 ZINC000278117606 497009849 /nfs/dbraw/zinc/00/98/49/497009849.db2.gz QTJBARKFTYDQFB-CYBMUJFWSA-N -1 3 361.398 3.177 20 0 FGADHM CCN(C(=O)Cc1noc(-c2cc(C)cc(OC)c2[O-])n1)c1ccccc1 ZINC000278164460 497025017 /nfs/dbraw/zinc/02/50/17/497025017.db2.gz KISBMOYSMQMQDD-UHFFFAOYSA-N -1 3 367.405 3.355 20 0 FGADHM CC[C@@]1(CO)CCCN1C(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000189153434 497025841 /nfs/dbraw/zinc/02/58/41/497025841.db2.gz YOXJNHKRPZADDP-NRFANRHFSA-N -1 3 355.434 3.348 20 0 FGADHM COc1cc(C(=O)Nc2ccccc2NC(=O)NC(C)C)cc(OC)c1[O-] ZINC000269968926 497033764 /nfs/dbraw/zinc/03/37/64/497033764.db2.gz VFLHLOOMCLYTGV-UHFFFAOYSA-N -1 3 373.409 3.192 20 0 FGADHM CCOc1cc(-c2noc(CCCNC(=O)c3ccsc3)n2)ccc1[O-] ZINC000278208069 497038271 /nfs/dbraw/zinc/03/82/71/497038271.db2.gz YWSAANXXFNWLPP-UHFFFAOYSA-N -1 3 373.434 3.265 20 0 FGADHM COC(=O)C[C@H]([N-]C(=O)C(F)(F)c1ncccc1C)c1ccc(F)cc1 ZINC000278210420 497038940 /nfs/dbraw/zinc/03/89/40/497038940.db2.gz GZJHLORUUVKVDU-AWEZNQCLSA-N -1 3 366.339 3.042 20 0 FGADHM Cc1ccc(NCCCNC(=O)c2cc([O-])ccc2C(F)(F)F)nc1 ZINC000189205766 497043580 /nfs/dbraw/zinc/04/35/80/497043580.db2.gz WCRXNQWXQFUIOO-UHFFFAOYSA-N -1 3 353.344 3.346 20 0 FGADHM CCOCCOc1c(Cl)cccc1NC([O-])=NO[C@@H]1CCCCO1 ZINC000274218482 497043631 /nfs/dbraw/zinc/04/36/31/497043631.db2.gz PYHKDLYDBHFWND-CQSZACIVSA-N -1 3 358.822 3.335 20 0 FGADHM CCOCCOc1c(Cl)cccc1NC(=O)[N-]O[C@@H]1CCCCO1 ZINC000274218482 497043635 /nfs/dbraw/zinc/04/36/35/497043635.db2.gz PYHKDLYDBHFWND-CQSZACIVSA-N -1 3 358.822 3.335 20 0 FGADHM COc1ccc(OC)c(CCNC(=O)c2cc([O-])ccc2C(F)(F)F)c1 ZINC000189215535 497048115 /nfs/dbraw/zinc/04/81/15/497048115.db2.gz LQNFULLHRPGPNC-UHFFFAOYSA-N -1 3 369.339 3.401 20 0 FGADHM CCc1ccc(C(=O)N2CCCN(C(=O)c3cccc(C)c3)CC2)c([O-])c1 ZINC000189216250 497048186 /nfs/dbraw/zinc/04/81/86/497048186.db2.gz CZKSIZQEKKELGI-UHFFFAOYSA-N -1 3 366.461 3.251 20 0 FGADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1ccc(N2CCSCC2)c(Cl)c1 ZINC000274237251 497048536 /nfs/dbraw/zinc/04/85/36/497048536.db2.gz SXNZVQBBIMMDHZ-OAHLLOKOSA-N -1 3 371.890 3.473 20 0 FGADHM O=C([N-]O[C@@H]1CCCCO1)Nc1ccc(N2CCSCC2)c(Cl)c1 ZINC000274237251 497048542 /nfs/dbraw/zinc/04/85/42/497048542.db2.gz SXNZVQBBIMMDHZ-OAHLLOKOSA-N -1 3 371.890 3.473 20 0 FGADHM CNC(=O)c1sc2[n-]c(Cc3ccc4c(c3)CCC4)nc(=O)c2c1C ZINC000278248166 497050853 /nfs/dbraw/zinc/05/08/53/497050853.db2.gz WPNPDGPKDIQMTJ-UHFFFAOYSA-N -1 3 353.447 3.144 20 0 FGADHM CC(C)c1cc(C(=O)N2CC[C@H](C)S(=O)(=O)CC2)c([O-])c(C(C)C)c1 ZINC000192300008 497067576 /nfs/dbraw/zinc/06/75/76/497067576.db2.gz JPBIBUZEZBDMFG-AWEZNQCLSA-N -1 3 367.511 3.288 20 0 FGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(NC(=O)c2ccoc2Cl)ccc1F ZINC000192318432 497072594 /nfs/dbraw/zinc/07/25/94/497072594.db2.gz CXWYFQVBONUPOQ-UHFFFAOYSA-N -1 3 374.821 3.401 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1)c1nc(C(F)(F)F)cs1 ZINC000278332919 497077532 /nfs/dbraw/zinc/07/75/32/497077532.db2.gz GPCGDUWOGYFMTH-LURJTMIESA-N -1 3 372.340 3.480 20 0 FGADHM CC(C)C(=O)NC[C@@H]1CCCN(C(=O)c2cc([O-])ccc2C(F)(F)F)C1 ZINC000189320037 497080289 /nfs/dbraw/zinc/08/02/89/497080289.db2.gz XKQDQZCGRNKPEI-LBPRGKRZSA-N -1 3 372.387 3.035 20 0 FGADHM CC1(C)C[C@@H]1C[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000226236989 497081627 /nfs/dbraw/zinc/08/16/27/497081627.db2.gz PXXMCUXRXSTIAU-MRVPVSSYSA-N -1 3 352.681 3.427 20 0 FGADHM Cc1nc(C)c(CCC(=O)N(CCc2ccc(F)cc2)C2CC2)c(=O)[n-]1 ZINC000265252324 497081769 /nfs/dbraw/zinc/08/17/69/497081769.db2.gz KGXWJKIXZPXIDD-UHFFFAOYSA-N -1 3 357.429 3.104 20 0 FGADHM CC(C)OCCCC[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000228577888 497095239 /nfs/dbraw/zinc/09/52/39/497095239.db2.gz XNWAFPKBRDKPIT-UHFFFAOYSA-N -1 3 368.268 3.072 20 0 FGADHM C[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000230586183 497106099 /nfs/dbraw/zinc/10/60/99/497106099.db2.gz XWTZFFQJKUPZRG-TVQRCGJNSA-N -1 3 350.253 3.445 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)C(=O)C(C)(C)C)cc2)cc1 ZINC000265392995 497113675 /nfs/dbraw/zinc/11/36/75/497113675.db2.gz DMMKDQMQWXRPLN-UHFFFAOYSA-N -1 3 374.462 3.350 20 0 FGADHM COC(=O)c1sc([N-]C(=O)c2cc(COC(C)(C)C)on2)cc1C ZINC000274516404 497115250 /nfs/dbraw/zinc/11/52/50/497115250.db2.gz OBGGDEUZWMFTHL-UHFFFAOYSA-N -1 3 352.412 3.399 20 0 FGADHM CCOc1ccc(NC([O-])=NO[C@H]2CCCCO2)cc1Br ZINC000189486690 497133981 /nfs/dbraw/zinc/13/39/81/497133981.db2.gz NWHKIDGMBPYPSR-ZDUSSCGKSA-N -1 3 359.220 3.428 20 0 FGADHM CCOc1ccc(NC(=O)[N-]O[C@H]2CCCCO2)cc1Br ZINC000189486690 497133987 /nfs/dbraw/zinc/13/39/87/497133987.db2.gz NWHKIDGMBPYPSR-ZDUSSCGKSA-N -1 3 359.220 3.428 20 0 FGADHM Cc1cccc(C(=O)Nc2ccc(C(=O)NCC(F)(F)F)cc2)c1[O-] ZINC000192542911 497144978 /nfs/dbraw/zinc/14/49/78/497144978.db2.gz UXJRGUYPQFYTCA-UHFFFAOYSA-N -1 3 352.312 3.245 20 0 FGADHM COc1ccc(C(=O)N2CCC(O)(c3ccccc3Cl)CC2)c([O-])c1 ZINC000192571478 497152921 /nfs/dbraw/zinc/15/29/21/497152921.db2.gz CLSOWQQMWHAWSZ-UHFFFAOYSA-N -1 3 361.825 3.178 20 0 FGADHM CC(C)COC(=O)Nc1cccc(NC([O-])=NO[C@@H]2CCCCO2)c1 ZINC000274765280 497159535 /nfs/dbraw/zinc/15/95/35/497159535.db2.gz KYQQFJSPZBXEOE-OAHLLOKOSA-N -1 3 351.403 3.471 20 0 FGADHM CC(C)COC(=O)Nc1cccc(NC(=O)[N-]O[C@@H]2CCCCO2)c1 ZINC000274765280 497159540 /nfs/dbraw/zinc/15/95/40/497159540.db2.gz KYQQFJSPZBXEOE-OAHLLOKOSA-N -1 3 351.403 3.471 20 0 FGADHM CCC(CC)(CC(=O)NC[C@@H](C1CC1)N(C)Cc1ccccc1)C(=O)[O-] ZINC000274776511 497163273 /nfs/dbraw/zinc/16/32/73/497163273.db2.gz KQGIXBPCEVTJQR-SFHVURJKSA-N -1 3 360.498 3.294 20 0 FGADHM C[C@H]1CCN(C(=O)c2cnn(C)c2Br)c2c([O-])cccc21 ZINC000274787796 497165602 /nfs/dbraw/zinc/16/56/02/497165602.db2.gz PFWMOGVINNPEAJ-VIFPVBQESA-N -1 3 350.216 3.042 20 0 FGADHM Cc1noc([C@@H]2CCCN([C@@H](C(=O)[O-])c3ccccc3C(F)(F)F)C2)n1 ZINC000581016884 505892059 /nfs/dbraw/zinc/89/20/59/505892059.db2.gz KHGGLLOUOPTGRU-BXUZGUMPSA-N -1 3 369.343 3.402 20 0 FGADHM COC[C@H](NC(=O)NCc1ccc([O-])c(F)c1)c1cccc(Cl)c1 ZINC000569266489 505892106 /nfs/dbraw/zinc/89/21/06/505892106.db2.gz JPHJQBZLEBXKBI-HNNXBMFYSA-N -1 3 352.793 3.372 20 0 FGADHM CC(C)(C)NC(=O)c1cccc([N-]S(=O)(=O)CCc2cccs2)c1 ZINC000574968875 505893755 /nfs/dbraw/zinc/89/37/55/505893755.db2.gz MERNGZUWFUBPSG-UHFFFAOYSA-N -1 3 366.508 3.261 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cnn(C(C)C)c3)c2)n1 ZINC000189808135 497251211 /nfs/dbraw/zinc/25/12/11/497251211.db2.gz CPBVHXMUVOWQAM-UHFFFAOYSA-N -1 3 351.410 3.029 20 0 FGADHM 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COC(=O)C1(c2ccc(S(=O)(=O)[N-]c3cccc(C)c3F)cc2)CC1 ZINC000271799660 497453634 /nfs/dbraw/zinc/45/36/34/497453634.db2.gz AAITZSFMLVJKIX-UHFFFAOYSA-N -1 3 363.410 3.140 20 0 FGADHM Cc1nn(C)c(C)c1CCCNC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000193753073 497469208 /nfs/dbraw/zinc/46/92/08/497469208.db2.gz DKAINVTYRNBLEX-UHFFFAOYSA-N -1 3 355.360 3.124 20 0 FGADHM COCCOC[C@H]1CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC000267020646 497470645 /nfs/dbraw/zinc/47/06/45/497470645.db2.gz QSAPVDCQNUAJRE-INIZCTEOSA-N -1 3 371.433 3.310 20 0 FGADHM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3c4c(ccc3Cl)OCC4)ccc2O1 ZINC000572185892 505909636 /nfs/dbraw/zinc/90/96/36/505909636.db2.gz VWRBAPCXCXGPQN-JTQLQIEISA-N -1 3 365.838 3.399 20 0 FGADHM Cc1cccc(C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)n1 ZINC000267086968 497483379 /nfs/dbraw/zinc/48/33/79/497483379.db2.gz KSYLWROOCBMCPU-UHFFFAOYSA-N -1 3 373.840 3.240 20 0 FGADHM CN1CC[C@@H]([N-]S(=O)(=O)c2ccc(F)cc2Cl)[C@H]1c1ccccc1 ZINC000245664948 497492168 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20 0 FGADHM CC(C)(c1nc(-c2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)no1)C1CCCC1 ZINC000581282161 505950712 /nfs/dbraw/zinc/95/07/12/505950712.db2.gz ATUMWEPSGZDLNX-FQEVSTJZSA-N -1 3 368.437 3.259 20 0 FGADHM Cc1nn(-c2ccccc2)c(C)c1Cc1nc(-c2ccc3n[n-]nc3c2)no1 ZINC000581285946 505951712 /nfs/dbraw/zinc/95/17/12/505951712.db2.gz DKTRZJKDUNPYCH-UHFFFAOYSA-N -1 3 371.404 3.401 20 0 FGADHM CC1(C)CN(C(=O)c2ccc([N-]S(C)(=O)=O)cc2)[C@@H]1c1cccs1 ZINC000572396203 505958657 /nfs/dbraw/zinc/95/86/57/505958657.db2.gz IEUUKHSWIQUVIF-OAHLLOKOSA-N -1 3 364.492 3.343 20 0 FGADHM C[C@H]([N-]S(=O)(=O)C[C@H]1CCCC1(F)F)c1noc(-c2ccccc2)n1 ZINC000296185316 497948704 /nfs/dbraw/zinc/94/87/04/497948704.db2.gz INZUSYUOFWOPMX-WCQYABFASA-N -1 3 371.409 3.152 20 0 FGADHM COc1cccc(C[C@H]2CCCN2C(=O)c2ccc(C(C)=O)c([O-])c2)c1 ZINC000578496843 505954043 /nfs/dbraw/zinc/95/40/43/505954043.db2.gz KZKDFSYZMQUPER-QGZVFWFLSA-N -1 3 353.418 3.451 20 0 FGADHM Cc1ccc([N-]S(=O)(=O)N2CCCCC2)c(-c2nc(C3CC3)no2)c1 ZINC000330011083 497989335 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CN(C(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])c1ccc2cc[nH]c2c1 ZINC000364772234 498135547 /nfs/dbraw/zinc/13/55/47/498135547.db2.gz RTPFIHRFAQVKED-GOSISDBHSA-N -1 3 363.417 3.141 20 0 FGADHM O=S(=O)([N-]C[C@@H]1CCCC[C@@H]1C(F)(F)F)c1cncc(Cl)c1 ZINC000330462951 498137067 /nfs/dbraw/zinc/13/70/67/498137067.db2.gz YWHTUCLXUPPVLU-CABZTGNLSA-N -1 3 356.797 3.382 20 0 FGADHM O=C(NC[C@@H]1CCCN(c2ccccc2)C1)c1c[n-]c2ccccc2c1=O ZINC000364782268 498140195 /nfs/dbraw/zinc/14/01/95/498140195.db2.gz ZNXIGEOZONVUEV-INIZCTEOSA-N -1 3 361.445 3.175 20 0 FGADHM CC(C)(C)C(=O)NC[C@@H]1CCCN(C(=O)c2cc([O-])ccc2Cl)C1 ZINC000330492260 498142062 /nfs/dbraw/zinc/14/20/62/498142062.db2.gz QHYAGGUHNZCYMZ-LBPRGKRZSA-N -1 3 352.862 3.060 20 0 FGADHM Cc1nc(C(C)(C)[N-]S(=O)(=O)c2cc(C(C)C)ccc2Cl)no1 ZINC000330505429 498144934 /nfs/dbraw/zinc/14/49/34/498144934.db2.gz GEHZTZXAIQAEBY-UHFFFAOYSA-N -1 3 357.863 3.368 20 0 FGADHM CC1CCC([N-]S(=O)(=O)Cc2nc(-c3c[nH]c4ccccc34)no2)CC1 ZINC000569660228 505986092 /nfs/dbraw/zinc/98/60/92/505986092.db2.gz PNWKHPJHFFKAAA-UHFFFAOYSA-N -1 3 374.466 3.216 20 0 FGADHM O=C(c1c[n-]c2ccncc2c1=O)N1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC000575642059 505987227 /nfs/dbraw/zinc/98/72/27/505987227.db2.gz NJDNUVWMIZGDIQ-XFQXTVEOSA-N -1 3 359.429 3.331 20 0 FGADHM CC(C)[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)CCO1 ZINC000330627764 498162614 /nfs/dbraw/zinc/16/26/14/498162614.db2.gz KOQCSIIJAZUQOL-WCQYABFASA-N -1 3 369.380 3.326 20 0 FGADHM C[C@H]1C[C@H](C[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CCO1 ZINC000330639684 498165164 /nfs/dbraw/zinc/16/51/64/498165164.db2.gz PGXFPJXUGANZLQ-VHSXEESVSA-N -1 3 371.808 3.452 20 0 FGADHM C[C@H]1C[C@@H](C[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CCO1 ZINC000330645602 498166312 /nfs/dbraw/zinc/16/63/12/498166312.db2.gz TZFITUDZTQKXLF-UWVGGRQHSA-N -1 3 371.808 3.452 20 0 FGADHM CNC(=O)c1ccc(CN2CCC(c3ccccc3C(=O)[O-])CC2)cc1 ZINC000364848370 498171329 /nfs/dbraw/zinc/17/13/29/498171329.db2.gz ZBSBJAHLYHBZCB-UHFFFAOYSA-N -1 3 352.434 3.124 20 0 FGADHM CC(C)c1ncsc1-c1nc(-c2ccc([N-]S(C)(=O)=O)cc2)no1 ZINC000351062827 498172416 /nfs/dbraw/zinc/17/24/16/498172416.db2.gz KOFUNBPLYUQTFJ-UHFFFAOYSA-N -1 3 364.452 3.355 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H]3CCC[C@H]([S@](=O)CC)C3)nc2)n1 ZINC000301582879 498173728 /nfs/dbraw/zinc/17/37/28/498173728.db2.gz VFMZIGMNRDKYRY-YQHYCNIYSA-N -1 3 374.510 3.298 20 0 FGADHM O=C(Cc1noc(CCCc2ccc([O-])c(F)c2)n1)Nc1ccccc1F ZINC000572535149 505991782 /nfs/dbraw/zinc/99/17/82/505991782.db2.gz LPJBLSUURVZEAI-UHFFFAOYSA-N -1 3 373.359 3.410 20 0 FGADHM Cc1c(F)cccc1S(=O)(=O)[N-][C@@H](c1nccs1)C(F)(F)F ZINC000292900715 498189977 /nfs/dbraw/zinc/18/99/77/498189977.db2.gz VZVRNAGCHZCPEI-JTQLQIEISA-N -1 3 354.350 3.173 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)c2nnn(CC3CCCC3)c2C)c1-c1ccccc1 ZINC000581468567 505995503 /nfs/dbraw/zinc/99/55/03/505995503.db2.gz FXUMDAMWZCGKOZ-UHFFFAOYSA-N -1 3 364.453 3.149 20 0 FGADHM COc1cc(/C=C/C(=O)N2CC[C@@H](SC)C2)cc(Br)c1[O-] ZINC000296843491 498220021 /nfs/dbraw/zinc/22/00/21/498220021.db2.gz IDLDPEXCCOTRPJ-PGLGOXFNSA-N -1 3 372.284 3.140 20 0 FGADHM COc1cc2c(cc1F)CC[C@@H]2NC(=O)c1c[n-]c2ccccc2c1=O ZINC000575764455 505999580 /nfs/dbraw/zinc/99/95/80/505999580.db2.gz YSMFKIFKDHJLKM-KRWDZBQOSA-N -1 3 352.365 3.093 20 0 FGADHM C/C(=C\C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)c1cccc(F)c1 ZINC000281660152 498228753 /nfs/dbraw/zinc/22/87/53/498228753.db2.gz IVVTZUPBOHGSAY-FMIVXFBMSA-N -1 3 372.362 3.146 20 0 FGADHM Cc1cc(C(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)c(C)n1C(C)C ZINC000281670830 498233042 /nfs/dbraw/zinc/23/30/42/498233042.db2.gz JTHHCCBGKIXWGN-UHFFFAOYSA-N -1 3 373.419 3.217 20 0 FGADHM CCCCOc1ccc(C(=O)N2CCC(c3nnc(C)[nH]3)CC2)c([O-])c1 ZINC000364970176 498234009 /nfs/dbraw/zinc/23/40/09/498234009.db2.gz BOGUTNFTHKHMQS-UHFFFAOYSA-N -1 3 358.442 3.017 20 0 FGADHM COc1ccc(C(=O)N=c2[nH][n-]c(-c3ccncc3)c2C)c(OC(C)C)c1 ZINC000364973712 498235054 /nfs/dbraw/zinc/23/50/54/498235054.db2.gz QKGNFTVZVLNZEJ-UHFFFAOYSA-N -1 3 366.421 3.250 20 0 FGADHM C[C@H](NC(=O)c1ccc([N-]S(C)(=O)=O)cc1)[C@@H](C)C1CCCCC1 ZINC000331093766 498251063 /nfs/dbraw/zinc/25/10/63/498251063.db2.gz JWFHEFDEAJELMT-KGLIPLIRSA-N -1 3 352.500 3.393 20 0 FGADHM CN(C(=O)c1cccc([O-])c1)C1CCN(c2ncnc3ccccc32)CC1 ZINC000365020212 498258293 /nfs/dbraw/zinc/25/82/93/498258293.db2.gz YXNRASXHWIENOE-UHFFFAOYSA-N -1 3 362.433 3.076 20 0 FGADHM CC(C)c1nnc([C@H]2CC23CCN(C(=O)c2ccc(O)cc2[O-])CC3)o1 ZINC000365020187 498258408 /nfs/dbraw/zinc/25/84/08/498258408.db2.gz YTZFVEZJSWIBRI-CQSZACIVSA-N -1 3 357.410 3.014 20 0 FGADHM CC(=O)N1c2ccccc2C[C@H]1C(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000365043190 498269754 /nfs/dbraw/zinc/26/97/54/498269754.db2.gz NTVCELHJONNFNR-UGSOOPFHSA-N -1 3 350.418 3.210 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)c1nc2c(s1)CCC2 ZINC000581537426 506011053 /nfs/dbraw/zinc/01/10/53/506011053.db2.gz UUWKXZFSESNDDD-SSDOTTSWSA-N -1 3 362.398 3.089 20 0 FGADHM CS[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cnccc2C(F)(F)F)C1 ZINC000331291140 498294992 /nfs/dbraw/zinc/29/49/92/498294992.db2.gz WJXWTJVKRBPAAP-NXEZZACHSA-N -1 3 354.419 3.053 20 0 FGADHM COc1ccc(CN2CCC[C@@H]2c2nc(C)no2)c(Br)c1[O-] ZINC000289795125 498297343 /nfs/dbraw/zinc/29/73/43/498297343.db2.gz MGCANZKAHKTSQD-LLVKDONJSA-N -1 3 368.231 3.192 20 0 FGADHM O=S(=O)([N-][C@@H]1CCCC12CCOCC2)c1ccc(Cl)nc1Cl ZINC000281873113 498299455 /nfs/dbraw/zinc/29/94/55/498299455.db2.gz CSPVBBYKMNQYCK-LLVKDONJSA-N -1 3 365.282 3.016 20 0 FGADHM C[C@@H](CON=C([O-])Nc1ccc(C2CCC2)cn1)NC(=O)OC(C)(C)C ZINC000297077745 498316040 /nfs/dbraw/zinc/31/60/40/498316040.db2.gz OUWKNRZMVYHELY-LBPRGKRZSA-N -1 3 364.446 3.315 20 0 FGADHM C[C@@H](CO[N-]C(=O)Nc1ccc(C2CCC2)cn1)NC(=O)OC(C)(C)C ZINC000297077745 498316046 /nfs/dbraw/zinc/31/60/46/498316046.db2.gz OUWKNRZMVYHELY-LBPRGKRZSA-N -1 3 364.446 3.315 20 0 FGADHM CCOc1cc(-c2noc(Cn3nc(C(F)(F)F)cc3C)n2)ccc1[O-] ZINC000289857482 498325240 /nfs/dbraw/zinc/32/52/40/498325240.db2.gz QWASIJSNJSUXIE-UHFFFAOYSA-N -1 3 368.315 3.413 20 0 FGADHM CC(C)c1scnc1-c1nc(-c2ccc([N-]S(C)(=O)=O)cc2)no1 ZINC000289905690 498347253 /nfs/dbraw/zinc/34/72/53/498347253.db2.gz SSALIMLVZSCPEP-UHFFFAOYSA-N -1 3 364.452 3.355 20 0 FGADHM CSc1ccc(C(=O)N[C@H](c2nnc(C)n2C)c2ccccc2)c([O-])c1 ZINC000365200662 498348129 /nfs/dbraw/zinc/34/81/29/498348129.db2.gz WRQSZDXUQKGVHF-KRWDZBQOSA-N -1 3 368.462 3.070 20 0 FGADHM Cc1c(Cl)ccc2ccc(N3CCC[C@@H]3C[C@@]3(C)NC(=O)[N-]C3=O)nc21 ZINC000286279564 498348714 /nfs/dbraw/zinc/34/87/14/498348714.db2.gz GURBWLLTUFVBSH-BFUOFWGJSA-N -1 3 372.856 3.154 20 0 FGADHM O=C([O-])c1ccc(OCCN2CCC[C@@]3(CCCOC3)C2)c(Cl)c1 ZINC000569817874 506023494 /nfs/dbraw/zinc/02/34/94/506023494.db2.gz CNRNJCRKHPSIRX-GOSISDBHSA-N -1 3 353.846 3.310 20 0 FGADHM Cc1cccc([C@H]2CCCN2C(=O)N=c2cc(OC(F)F)n(C)[n-]2)c1 ZINC000331574560 498377505 /nfs/dbraw/zinc/37/75/05/498377505.db2.gz RERBOQUHKKBCOF-CYBMUJFWSA-N -1 3 350.369 3.121 20 0 FGADHM COc1ccc(C2(CNC(=O)Cc3cncc([O-])c3)CCCCC2)cc1 ZINC000572661506 506023984 /nfs/dbraw/zinc/02/39/84/506023984.db2.gz LFVNHIJZFPRZTF-UHFFFAOYSA-N -1 3 354.450 3.357 20 0 FGADHM CC[C@H](C)CON=C([O-])Nc1cc(Br)cnc1-n1cccn1 ZINC000297261989 498381453 /nfs/dbraw/zinc/38/14/53/498381453.db2.gz SYUSHKJAGZGDIL-JTQLQIEISA-N -1 3 368.235 3.129 20 0 FGADHM CC[C@H](C)CO[N-]C(=O)Nc1cc(Br)cnc1-n1cccn1 ZINC000297261989 498381456 /nfs/dbraw/zinc/38/14/56/498381456.db2.gz SYUSHKJAGZGDIL-JTQLQIEISA-N -1 3 368.235 3.129 20 0 FGADHM CN(C)C[C@@H]1CN(C(=O)c2cc(F)c([O-])c(Cl)c2)c2ccccc2O1 ZINC000365321783 498404134 /nfs/dbraw/zinc/40/41/34/498404134.db2.gz IEFSTVMJTFIAJR-GFCCVEGCSA-N -1 3 364.804 3.154 20 0 FGADHM Cc1cc(NC(=O)C[N-]c2noc(C(C)(C)C)n2)ccc1Br ZINC000302111893 498409836 /nfs/dbraw/zinc/40/98/36/498409836.db2.gz ASZOBEQXZYAZOE-UHFFFAOYSA-N -1 3 367.247 3.489 20 0 FGADHM O=c1[n-]c(CN2CCC(N3CCc4ccccc43)CC2)nc2ccsc21 ZINC000282189409 498417503 /nfs/dbraw/zinc/41/75/03/498417503.db2.gz WKHODXPFGRQENN-UHFFFAOYSA-N -1 3 366.490 3.424 20 0 FGADHM COc1cccc2c1n[n-]c2C(=O)Nc1cccc(Oc2cccnn2)c1 ZINC000575907324 506030843 /nfs/dbraw/zinc/03/08/43/506030843.db2.gz AHIDBWLBHCDSPP-UHFFFAOYSA-N -1 3 361.361 3.406 20 0 FGADHM COc1cccc2c(C(=O)Nc3cccc(Oc4cccnn4)c3)n[n-]c21 ZINC000575907324 506030845 /nfs/dbraw/zinc/03/08/45/506030845.db2.gz AHIDBWLBHCDSPP-UHFFFAOYSA-N -1 3 361.361 3.406 20 0 FGADHM Cc1ncc(S(=O)(=O)[N-]Cc2ccncc2OCCC(C)(C)C)s1 ZINC000581629834 506031507 /nfs/dbraw/zinc/03/15/07/506031507.db2.gz MFXMIEHZKAZBJM-UHFFFAOYSA-N -1 3 369.512 3.140 20 0 FGADHM CC(C)(C)c1nc([N-][C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)no1 ZINC000302166595 498425354 /nfs/dbraw/zinc/42/53/54/498425354.db2.gz RQSNDUHVTIMEEG-GFCCVEGCSA-N -1 3 352.797 3.377 20 0 FGADHM Cc1csc([C@@H]2COCCN2C(=O)c2c[n-]c3ccc(C)cc3c2=O)n1 ZINC000286552136 498433836 /nfs/dbraw/zinc/43/38/36/498433836.db2.gz QCTREZIDVSEUJE-INIZCTEOSA-N -1 3 369.446 3.227 20 0 FGADHM C[C@H](NC(=O)c1cc([O-])ccc1C(F)(F)F)c1nnc2n1CCCCC2 ZINC000365409583 498452735 /nfs/dbraw/zinc/45/27/35/498452735.db2.gz KCPJEBIIUQUBBR-JTQLQIEISA-N -1 3 368.359 3.220 20 0 FGADHM CN(Cc1ccccc1)[C@@H](CNC(=O)c1c(F)ccc([O-])c1F)C1CC1 ZINC000569888300 506038243 /nfs/dbraw/zinc/03/82/43/506038243.db2.gz HEEPCMGTWLTJCZ-INIZCTEOSA-N -1 3 360.404 3.311 20 0 FGADHM Cc1ccc([C@@H]2CCCCN2C(=O)c2ccc([N-]S(C)(=O)=O)cc2)o1 ZINC000331856681 498477227 /nfs/dbraw/zinc/47/72/27/498477227.db2.gz ASVIBEADZDNJKR-INIZCTEOSA-N -1 3 362.451 3.327 20 0 FGADHM Cn1cc(Br)c(=NC(=O)c2ccc(SC3CC3)cc2)[n-]1 ZINC000578869850 506040744 /nfs/dbraw/zinc/04/07/44/506040744.db2.gz FBEAPQFJILXLBF-UHFFFAOYSA-N -1 3 352.257 3.111 20 0 FGADHM O=S(=O)([N-]CCc1cn2c(n1)CCCC2)c1cc(Cl)ccc1Cl ZINC000331898871 498492156 /nfs/dbraw/zinc/49/21/56/498492156.db2.gz HMTONRUTXNUIQI-UHFFFAOYSA-N -1 3 374.293 3.047 20 0 FGADHM CC(=O)Nc1ccccc1CN1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000362485418 498523194 /nfs/dbraw/zinc/52/31/94/498523194.db2.gz ICYYJXXARAPXEY-UHFFFAOYSA-N -1 3 352.434 3.446 20 0 FGADHM C[C@H](c1ccccc1)N1CC[C@H](Nc2cc(C(C)(C)C)nc(C(=O)[O-])n2)C1 ZINC000572768916 506048042 /nfs/dbraw/zinc/04/80/42/506048042.db2.gz KTBIEGYIWZUSFA-ZBFHGGJFSA-N -1 3 368.481 3.142 20 0 FGADHM O=C(c1ccc([O-])cc1)N1CCN(c2ncc(-c3ccccc3)s2)CC1 ZINC000302672431 498529088 /nfs/dbraw/zinc/52/90/88/498529088.db2.gz SDOLYPUTEYXSRV-UHFFFAOYSA-N -1 3 365.458 3.478 20 0 FGADHM CCC[C@]1(CO)CCN(C(=O)c2ccc(C(=O)c3cccc([O-])c3)cc2)C1 ZINC000365602713 498553532 /nfs/dbraw/zinc/55/35/32/498553532.db2.gz SVGMCYHPICRXBT-QFIPXVFZSA-N -1 3 367.445 3.248 20 0 FGADHM C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)c1cc([O-])ccc1Cl ZINC000290447308 498556441 /nfs/dbraw/zinc/55/64/41/498556441.db2.gz OGLKVNDXQZZXLR-XHDPSFHLSA-N -1 3 368.861 3.421 20 0 FGADHM CCOC(=O)c1nc(C2CCN(C(=O)c3cc(C(C)C)oc3C)CC2)n[n-]1 ZINC000286934972 498560447 /nfs/dbraw/zinc/56/04/47/498560447.db2.gz DOWPGVDTCSYZEO-UHFFFAOYSA-N -1 3 374.441 3.026 20 0 FGADHM CCOC(=O)c1nnc(C2CCN(C(=O)c3cc(C(C)C)oc3C)CC2)[n-]1 ZINC000286934972 498560442 /nfs/dbraw/zinc/56/04/42/498560442.db2.gz DOWPGVDTCSYZEO-UHFFFAOYSA-N -1 3 374.441 3.026 20 0 FGADHM Cc1ccc([O-])c(C(=O)N(C)[C@H](c2ccc(F)cc2)c2ncccn2)c1 ZINC000362846073 498564065 /nfs/dbraw/zinc/56/40/65/498564065.db2.gz FXAITUBJJZBCBB-GOSISDBHSA-N -1 3 351.381 3.491 20 0 FGADHM Cc1c(C(=O)[N-]c2c(F)cc(Br)cc2F)nnn1C(C)C ZINC000297794536 498570486 /nfs/dbraw/zinc/57/04/86/498570486.db2.gz RDPWNPUEDJGXEQ-UHFFFAOYSA-N -1 3 359.174 3.460 20 0 FGADHM COc1ccc(C(=O)N(C)C2CCN(c3cccc(F)c3)CC2)c([O-])c1 ZINC000362887676 498573122 /nfs/dbraw/zinc/57/31/22/498573122.db2.gz BEWQUJBZMWIWSV-UHFFFAOYSA-N -1 3 358.413 3.281 20 0 FGADHM O=C(c1c([O-])cnc2ccc(Cl)cc21)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000282602406 498577502 /nfs/dbraw/zinc/57/75/02/498577502.db2.gz ZCHHCVOFLKEGBG-NSHDSACASA-N -1 3 356.813 3.337 20 0 FGADHM CNC(=O)c1cccc(NC(=O)Nc2ccc([O-])c(COC(C)C)c2)c1 ZINC000290533573 498587753 /nfs/dbraw/zinc/58/77/53/498587753.db2.gz UPCAUWUMISYMRV-UHFFFAOYSA-N -1 3 357.410 3.321 20 0 FGADHM O=C(COc1cccc(NCc2c(F)ccc([O-])c2F)c1)N1CCCC1 ZINC000294159513 498607455 /nfs/dbraw/zinc/60/74/55/498607455.db2.gz INNHGJVFFZYAIV-UHFFFAOYSA-N -1 3 362.376 3.284 20 0 FGADHM CC(=O)N(Cc1ccc(NC(=O)c2cc(F)cc3[n-]nnc32)cc1)C(C)C ZINC000282742822 498635115 /nfs/dbraw/zinc/63/51/15/498635115.db2.gz NGCYFYUJSSOEJH-UHFFFAOYSA-N -1 3 369.400 3.106 20 0 FGADHM CC(=O)N(Cc1ccc(NC(=O)c2cc(F)cc3nn[n-]c32)cc1)C(C)C ZINC000282742822 498635122 /nfs/dbraw/zinc/63/51/22/498635122.db2.gz NGCYFYUJSSOEJH-UHFFFAOYSA-N -1 3 369.400 3.106 20 0 FGADHM CC(=O)N(Cc1ccc(NC(=O)c2cc(F)cc3n[n-]nc32)cc1)C(C)C ZINC000282742822 498635126 /nfs/dbraw/zinc/63/51/26/498635126.db2.gz NGCYFYUJSSOEJH-UHFFFAOYSA-N -1 3 369.400 3.106 20 0 FGADHM O=C(CCc1ccc2ccccc2c1[O-])NCc1nnc2n1CCCCC2 ZINC000294286734 498644998 /nfs/dbraw/zinc/64/49/98/498644998.db2.gz FACYTQFGHPECCT-UHFFFAOYSA-N -1 3 364.449 3.112 20 0 FGADHM C[C@H](c1cccc(Br)c1)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000332320374 498647886 /nfs/dbraw/zinc/64/78/86/498647886.db2.gz NQVYRLLLDHQFRN-ZYHUDNBSSA-N -1 3 352.232 3.478 20 0 FGADHM CCC[C@H](NC(=O)c1cccc(C)c1[O-])C(=O)N1CCc2sccc2C1 ZINC000303116025 498649356 /nfs/dbraw/zinc/64/93/56/498649356.db2.gz DFDNNXJXYXNVLN-INIZCTEOSA-N -1 3 372.490 3.246 20 0 FGADHM CCOc1cc(CN(CCOC)Cc2cccnc2)cc(Cl)c1[O-] ZINC000298051732 498650081 /nfs/dbraw/zinc/65/00/81/498650081.db2.gz IUVKESIZQBVAAI-UHFFFAOYSA-N -1 3 350.846 3.488 20 0 FGADHM COC(=O)C(C)(C)NCc1nc(=O)c2cc(-c3ccccc3)sc2[n-]1 ZINC000298075560 498657175 /nfs/dbraw/zinc/65/71/75/498657175.db2.gz JTJHNASIPWNIHJ-UHFFFAOYSA-N -1 3 357.435 3.105 20 0 FGADHM Cc1cccc2c(=O)c(C(=O)N3CCC[C@@](O)(C(F)(F)F)CC3)c[n-]c12 ZINC000290715169 498657200 /nfs/dbraw/zinc/65/72/00/498657200.db2.gz XIYLLGQMEJEIPC-KRWDZBQOSA-N -1 3 368.355 3.168 20 0 FGADHM C[C@H]1Cc2ncn(Cc3nc4c(cnn4-c4ccccc4)c(=O)[n-]3)c2C[C@@H]1C ZINC000298111105 498667357 /nfs/dbraw/zinc/66/73/57/498667357.db2.gz JNVAHNAQGZJKIZ-KBPBESRZSA-N -1 3 374.448 3.137 20 0 FGADHM CC[C@@]1(c2ccc(NCc3c(F)ccc([O-])c3F)cc2)CCC(=O)NC1=O ZINC000294423187 498690503 /nfs/dbraw/zinc/69/05/03/498690503.db2.gz WXOMVIKGLXMPJO-FQEVSTJZSA-N -1 3 374.387 3.367 20 0 FGADHM COCCCO[N-]C(=O)Nc1cc(NC(=O)OC(C)(C)C)ccc1C ZINC000287265957 498694977 /nfs/dbraw/zinc/69/49/77/498694977.db2.gz YFRZBJIZRKNVPH-UHFFFAOYSA-N -1 3 353.419 3.432 20 0 FGADHM Cc1oc(CN(C)C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)cc1C(=O)[O-] ZINC000572889194 506076773 /nfs/dbraw/zinc/07/67/73/506076773.db2.gz CPBDBZRVTIPPBK-AWEZNQCLSA-N -1 3 371.355 3.340 20 0 FGADHM Cn1nc(C2CC2)nc1CSCc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000576108159 506078964 /nfs/dbraw/zinc/07/89/64/506078964.db2.gz OEXOKDTXWOBOOL-UHFFFAOYSA-N -1 3 353.451 3.289 20 0 FGADHM CC(=O)c1cccc(NC(=O)[C@@]2(C)CCCN2C(=O)c2ccccc2)c1[O-] ZINC000576110120 506079834 /nfs/dbraw/zinc/07/98/34/506079834.db2.gz HAQIFJAIQLGJBQ-OAQYLSRUSA-N -1 3 366.417 3.228 20 0 FGADHM Cc1cc(N(C)C)cc(C)c1[N-]S(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000332578399 498731284 /nfs/dbraw/zinc/73/12/84/498731284.db2.gz DWABBUZEKSWDSP-UHFFFAOYSA-N -1 3 360.479 3.495 20 0 FGADHM O=C(Nc1cc(Br)ccc1[O-])c1coc(C2CCOCC2)n1 ZINC000332622504 498744798 /nfs/dbraw/zinc/74/47/98/498744798.db2.gz CURQKLSEUYIEOX-UHFFFAOYSA-N -1 3 367.199 3.289 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N3CCC[C@@](CO)(C(C)C)C3)c[n-]c12 ZINC000294612637 498748337 /nfs/dbraw/zinc/74/83/37/498748337.db2.gz GRIIZCNVCLBVTR-HXUWFJFHSA-N -1 3 360.429 3.259 20 0 FGADHM CC(C)(C)OCc1cc(C[N-]S(=O)(=O)c2ccc(C(F)F)cc2)no1 ZINC000287421217 498749639 /nfs/dbraw/zinc/74/96/39/498749639.db2.gz PNIGFCHRNLTUCI-UHFFFAOYSA-N -1 3 374.409 3.406 20 0 FGADHM Cc1cccc(S(=O)(=O)[N-][C@@H](C)CCOCc2ccccc2)c1F ZINC000313216625 498765666 /nfs/dbraw/zinc/76/56/66/498765666.db2.gz GJDDAXHOTYQEMC-HNNXBMFYSA-N -1 3 351.443 3.408 20 0 FGADHM Cc1ccc(CS(=O)(=O)[N-]c2ccc(-c3nnc(N(C)C)o3)cc2)cc1 ZINC000570122371 506095133 /nfs/dbraw/zinc/09/51/33/506095133.db2.gz AZORUVCNGSLKKA-UHFFFAOYSA-N -1 3 372.450 3.053 20 0 FGADHM COc1cc(Br)c(CNC[C@H]2CCC[C@H]2C(=O)[O-])cc1OC ZINC000316228268 498787023 /nfs/dbraw/zinc/78/70/23/498787023.db2.gz BJJWUMJJWDCMNJ-ZYHUDNBSSA-N -1 3 372.259 3.057 20 0 FGADHM O=C([O-])[C@H]1CCO[C@H]1C1CCN(CCOc2ccc3ccccc3c2)CC1 ZINC000570100625 506090760 /nfs/dbraw/zinc/09/07/60/506090760.db2.gz SKWAVURROATWLG-SFTDATJTSA-N -1 3 369.461 3.420 20 0 FGADHM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1nc(Cc2cccc(F)c2)no1 ZINC000570100338 506090862 /nfs/dbraw/zinc/09/08/62/506090862.db2.gz MKLLEGUHQVELRG-BMFZPTHFSA-N -1 3 359.401 3.017 20 0 FGADHM COC[C@@H](NC(=O)c1cc(OC)c([O-])c(OC)c1)c1cccc(Cl)c1 ZINC000291113454 498801571 /nfs/dbraw/zinc/80/15/71/498801571.db2.gz CTJSSVBAUKIZID-CQSZACIVSA-N -1 3 365.813 3.180 20 0 FGADHM C[C@@H](c1ccncc1)N1CCC(NC(=O)c2cc([O-])ccc2Cl)CC1 ZINC000291119285 498803965 /nfs/dbraw/zinc/80/39/65/498803965.db2.gz UHQOOPFHSOOQRT-ZDUSSCGKSA-N -1 3 359.857 3.396 20 0 FGADHM CCOC(=O)c1[n-]c(C)nc1NC(=O)c1scc(C)c1Br ZINC000576173765 506094002 /nfs/dbraw/zinc/09/40/02/506094002.db2.gz UYBKTLPLYAKDFI-UHFFFAOYSA-N -1 3 372.244 3.280 20 0 FGADHM CCOC(=O)c1nc(C)[n-]c1NC(=O)c1scc(C)c1Br ZINC000576173765 506094004 /nfs/dbraw/zinc/09/40/04/506094004.db2.gz UYBKTLPLYAKDFI-UHFFFAOYSA-N -1 3 372.244 3.280 20 0 FGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@H]1CCCC[C@H]1C(C)C ZINC000323133706 498820170 /nfs/dbraw/zinc/82/01/70/498820170.db2.gz ZJKWYKVVSDYAKH-STQMWFEESA-N -1 3 359.513 3.336 20 0 FGADHM COC[C@@]1(C(=O)[O-])CCCN([C@H](C)c2ccc(Br)cc2)C1 ZINC000573008984 506098498 /nfs/dbraw/zinc/09/84/98/506098498.db2.gz KJNKXLWSQDGXLM-MLGOLLRUSA-N -1 3 356.260 3.323 20 0 FGADHM CO[C@@]1(C)C[C@H](NC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)C1(C)C ZINC000332926845 498837068 /nfs/dbraw/zinc/83/70/68/498837068.db2.gz SQUPJNBLEWGTPT-JXFKEZNVSA-N -1 3 370.453 3.483 20 0 FGADHM COC(=O)c1c(C)csc1[N-]C(=O)C(=O)N(C)Cc1cccc(C)c1C ZINC000294898797 498842504 /nfs/dbraw/zinc/84/25/04/498842504.db2.gz FKVCTSJVEQBEFC-UHFFFAOYSA-N -1 3 374.462 3.057 20 0 FGADHM COC(=O)c1ccc(C)c([N-]S(=O)(=O)c2c(C)cc(F)cc2C)c1 ZINC000326577905 498844872 /nfs/dbraw/zinc/84/48/72/498844872.db2.gz GWXBAVJFMLHLBV-UHFFFAOYSA-N -1 3 351.399 3.338 20 0 FGADHM CC(C)[C@@]1(C(=O)[O-])CCN(Cc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC000326772706 498848012 /nfs/dbraw/zinc/84/80/12/498848012.db2.gz RIMMLGGFUQTBNS-GOSISDBHSA-N -1 3 353.846 3.434 20 0 FGADHM COc1cc(C(=O)N2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)ccc1[O-] ZINC000287795187 498865851 /nfs/dbraw/zinc/86/58/51/498865851.db2.gz JBCGFRNCNUNEAH-FGTMMUONSA-N -1 3 353.418 3.046 20 0 FGADHM O=C(c1ccccc1[O-])N1CCN(C(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]23)CC1 ZINC000333018388 498871974 /nfs/dbraw/zinc/87/19/74/498871974.db2.gz CRYCQRUZYCFTGY-OKZBNKHCSA-N -1 3 370.493 3.283 20 0 FGADHM Cc1cccc2c1OC[C@@H](NC(=O)c1c[n-]c3c(C)cc(F)cc3c1=O)C2 ZINC000366318018 498872126 /nfs/dbraw/zinc/87/21/26/498872126.db2.gz FPVFBORTUJODKI-HNNXBMFYSA-N -1 3 366.392 3.018 20 0 FGADHM COc1ccc([C@@H](O)C2CCN(C(=O)c3ccc(C)cc3[O-])CC2)cc1 ZINC000291275694 498873363 /nfs/dbraw/zinc/87/33/63/498873363.db2.gz PBJCWOZGSYKCEY-HXUWFJFHSA-N -1 3 355.434 3.295 20 0 FGADHM COc1ccc(CNC[C@@H](Cc2cc(F)c(F)c(F)c2)C(=O)[O-])c(F)c1 ZINC000570166145 506106415 /nfs/dbraw/zinc/10/64/15/506106415.db2.gz JBUFAFIQWMGBHY-GFCCVEGCSA-N -1 3 371.330 3.285 20 0 FGADHM CCn1c(SCc2cc(=O)c([O-])co2)nc2sc(C)c(C)c2c1=O ZINC000298859875 498899593 /nfs/dbraw/zinc/89/95/93/498899593.db2.gz ROQZHWCAFVBXIO-UHFFFAOYSA-N -1 3 364.448 3.046 20 0 FGADHM Cc1cc([N-]C(=O)[C@H](C)N2CCC([C@@H]3C(=O)Nc4ccccc43)CC2)on1 ZINC000328687527 498902393 /nfs/dbraw/zinc/90/23/93/498902393.db2.gz HCNNNUMVVVZIFE-UGSOOPFHSA-N -1 3 368.437 3.407 20 0 FGADHM Cc1ccc(C(F)(F)C(=O)[N-][C@@H](C)c2noc(COC(C)C)n2)cc1 ZINC000291344788 498902861 /nfs/dbraw/zinc/90/28/61/498902861.db2.gz TYSCETVUKKEIHF-LBPRGKRZSA-N -1 3 353.369 3.272 20 0 FGADHM CC[C@H]1CN(c2c(C(=O)[O-])cnc3c(C)cc(C)cc32)C[C@@]2(CCOC2)O1 ZINC000582005630 506110871 /nfs/dbraw/zinc/11/08/71/506110871.db2.gz CZAGZKJIBDORPN-YCRPNKLZSA-N -1 3 370.449 3.324 20 0 FGADHM COC(=O)[C@H]1CCCC[C@@]1(C)NC(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000287982276 498917497 /nfs/dbraw/zinc/91/74/97/498917497.db2.gz AOWAESWIXSNLCL-FOIQADDNSA-N -1 3 374.412 3.240 20 0 FGADHM COC(=O)[C@@H]1CCCC[C@]1(C)NC(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000287982287 498917768 /nfs/dbraw/zinc/91/77/68/498917768.db2.gz AOWAESWIXSNLCL-YWZLYKJASA-N -1 3 374.412 3.240 20 0 FGADHM O=S(=O)(CCCCF)[N-]c1ccc(OC(F)F)cc1OC(F)F ZINC000295152154 498927294 /nfs/dbraw/zinc/92/72/94/498927294.db2.gz FKDAKGFAMIYJPM-UHFFFAOYSA-N -1 3 363.304 3.381 20 0 FGADHM CCOc1cc(CN(C)Cc2cc(C)on2)cc(Br)c1[O-] ZINC000291434753 498939241 /nfs/dbraw/zinc/93/92/41/498939241.db2.gz JQOIHEDGVCBNHB-UHFFFAOYSA-N -1 3 355.232 3.482 20 0 FGADHM CO[C@@H](CS(=O)(=O)[N-]c1ccc(F)c([C@H](C)O)c1)c1ccccc1 ZINC000295198758 498941050 /nfs/dbraw/zinc/94/10/50/498941050.db2.gz MRXQOIPLVKGDCB-SJCJKPOMSA-N -1 3 353.415 3.008 20 0 FGADHM CC1(C)Cc2ccc(C(=O)N3C[C@@H](O)C[C@H]3c3cccc(F)c3)c([O-])c2O1 ZINC000333262065 498956567 /nfs/dbraw/zinc/95/65/67/498956567.db2.gz MHNDXZCZKPMFIC-RDJZCZTQSA-N -1 3 371.408 3.193 20 0 FGADHM CC1(C)Cc2ccc(C(=O)N3C[C@H](O)C[C@@H]3c3cccc(F)c3)c([O-])c2O1 ZINC000333262064 498956739 /nfs/dbraw/zinc/95/67/39/498956739.db2.gz MHNDXZCZKPMFIC-NVXWUHKLSA-N -1 3 371.408 3.193 20 0 FGADHM O=C([O-])c1cnc2ccccc2c1N1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000573094272 506117669 /nfs/dbraw/zinc/11/76/69/506117669.db2.gz UYAIANCZMFIUDX-BONVTDFDSA-N -1 3 354.328 3.073 20 0 FGADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@@]34CC[C@@H](CC3=O)C4(C)C)cc2)n1 ZINC000582043316 506119843 /nfs/dbraw/zinc/11/98/43/506119843.db2.gz BOYUWFVUMHFYGY-LHSJRXKWSA-N -1 3 365.433 3.079 20 0 FGADHM C[C@@H]1C[C@@]2(C[C@@H]2C(=O)[N-]OCc2ccc(F)cc2Br)CCO1 ZINC000363741742 498970040 /nfs/dbraw/zinc/97/00/40/498970040.db2.gz WERNLUIDOWTVNW-CKUKBARFSA-N -1 3 372.234 3.341 20 0 FGADHM CCC[C@@H](C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C)c1ccccc1 ZINC000291551985 498988529 /nfs/dbraw/zinc/98/85/29/498988529.db2.gz MYKMWEBAYNWXMO-CQSZACIVSA-N -1 3 353.422 3.105 20 0 FGADHM COCCOC[C@H]1CCN([C@@H](C(=O)[O-])c2cccc(Cl)c2Cl)C1 ZINC000582067872 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O=C(NC1CCN(Cc2ccncc2)CC1)c1cc([O-])c2ccccc2c1 ZINC000375917256 499568402 /nfs/dbraw/zinc/56/84/02/499568402.db2.gz QIVJAOYXZIAAFL-UHFFFAOYSA-N -1 3 361.445 3.335 20 0 FGADHM CC1(CN2CCOCC2)CCN(C(=O)c2cc([O-])c3ccccc3c2)CC1 ZINC000375921072 499568624 /nfs/dbraw/zinc/56/86/24/499568624.db2.gz UVXMOUWUOGNSRL-UHFFFAOYSA-N -1 3 368.477 3.120 20 0 FGADHM CC(C)(C)[C@@H]1CCCN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])C1 ZINC000408414197 499587472 /nfs/dbraw/zinc/58/74/72/499587472.db2.gz JTOFSGRTGNZKEO-WBVHZDCISA-N -1 3 358.482 3.282 20 0 FGADHM O=C([O-])[C@]1(NCc2cccc(Br)c2)CCOc2ccccc21 ZINC000409447017 499596522 /nfs/dbraw/zinc/59/65/22/499596522.db2.gz FKZKRRIZKGYJNZ-KRWDZBQOSA-N -1 3 362.223 3.301 20 0 FGADHM COC(=O)c1csc(S(=O)(=O)[N-]Cc2cc3ccccc3s2)c1 ZINC000409456506 499598466 /nfs/dbraw/zinc/59/84/66/499598466.db2.gz JOORRSQCEGHFML-UHFFFAOYSA-N -1 3 367.473 3.228 20 0 FGADHM Cc1ccc(CCS(=O)(=O)[N-]CC(=O)Nc2c(C)cc(C)cc2C)cc1 ZINC000409546151 499605133 /nfs/dbraw/zinc/60/51/33/499605133.db2.gz 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ZINC000427103475 500353814 /nfs/dbraw/zinc/35/38/14/500353814.db2.gz XYEREZOULSFTBY-UHFFFAOYSA-N -1 3 371.813 3.224 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1c[nH]nc1-c1ccc(Cl)s1 ZINC000427103475 500353817 /nfs/dbraw/zinc/35/38/17/500353817.db2.gz XYEREZOULSFTBY-UHFFFAOYSA-N -1 3 371.813 3.224 20 0 FGADHM CC(C)(CNC(=O)CNC(=O)c1cccc([O-])c1)Cc1cccc(Cl)c1 ZINC000427147846 500359298 /nfs/dbraw/zinc/35/92/98/500359298.db2.gz QESZFSDEYWIKBZ-UHFFFAOYSA-N -1 3 374.868 3.161 20 0 FGADHM O=c1cc(CSCc2nc(Cc3ccccc3)no2)nc(C2CC2)[n-]1 ZINC000419383616 500360256 /nfs/dbraw/zinc/36/02/56/500360256.db2.gz IYHFWOXSYJPMPY-UHFFFAOYSA-N -1 3 354.435 3.467 20 0 FGADHM O=C(CNC(=O)c1cccc([O-])c1)N[C@@H](c1cccc(F)c1)C1CCCC1 ZINC000427167829 500362140 /nfs/dbraw/zinc/36/21/40/500362140.db2.gz AMXGTAPAWXKYOF-HXUWFJFHSA-N -1 3 370.424 3.309 20 0 FGADHM Cc1ncc(CN(C)C(=O)Cc2ccc(Br)cc2[O-])s1 ZINC000431328322 500364208 /nfs/dbraw/zinc/36/42/08/500364208.db2.gz MJQWFSCAUDLSFI-UHFFFAOYSA-N -1 3 355.257 3.121 20 0 FGADHM CCN(CCOC)c1cccc(CSCc2cc(=O)[n-]c(C3CC3)n2)n1 ZINC000419485131 500370235 /nfs/dbraw/zinc/37/02/35/500370235.db2.gz FULZZSFBSPSXLC-UHFFFAOYSA-N -1 3 374.510 3.361 20 0 FGADHM C[C@@H]1C[C@H]1[C@@H](NC(=O)CNC(=O)c1cccc([O-])c1)c1ccc(Cl)cc1 ZINC000427238946 500372043 /nfs/dbraw/zinc/37/20/43/500372043.db2.gz LTAZWGUCWGGNJJ-LLSQANQASA-N -1 3 372.852 3.289 20 0 FGADHM C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)CNC(=O)c1cccc([O-])c1 ZINC000427249673 500373363 /nfs/dbraw/zinc/37/33/63/500373363.db2.gz NWXDGUFXQLDSED-KBPBESRZSA-N -1 3 374.868 3.426 20 0 FGADHM C[C@H]([C@@H](C)c1ccc(Cl)cc1)N(C)C(=O)CNC(=O)c1cccc([O-])c1 ZINC000427249676 500373575 /nfs/dbraw/zinc/37/35/75/500373575.db2.gz NWXDGUFXQLDSED-ZIAGYGMSSA-N -1 3 374.868 3.426 20 0 FGADHM COc1cc(F)cc(CNc2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)c1 ZINC000419753016 500393419 /nfs/dbraw/zinc/39/34/19/500393419.db2.gz NCIVDZMMSFBPOJ-UHFFFAOYSA-N -1 3 368.405 3.026 20 0 FGADHM O=C(CCCOc1ccc2c(c1)NC(=O)CC2)Nc1ccc([O-])cc1F ZINC000427470320 500396505 /nfs/dbraw/zinc/39/65/05/500396505.db2.gz QSAWYIOGFSUNRW-UHFFFAOYSA-N -1 3 358.369 3.214 20 0 FGADHM Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1cc(F)cc2[n-]nnc21 ZINC000431617611 500398887 /nfs/dbraw/zinc/39/88/87/500398887.db2.gz NSLRZIYGBWDZLN-UHFFFAOYSA-N -1 3 350.357 3.152 20 0 FGADHM Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1cc(F)cc2nn[n-]c21 ZINC000431617611 500398891 /nfs/dbraw/zinc/39/88/91/500398891.db2.gz NSLRZIYGBWDZLN-UHFFFAOYSA-N -1 3 350.357 3.152 20 0 FGADHM Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000431617611 500398893 /nfs/dbraw/zinc/39/88/93/500398893.db2.gz NSLRZIYGBWDZLN-UHFFFAOYSA-N -1 3 350.357 3.152 20 0 FGADHM COC(=O)c1ccc(C)c(S(=O)(=O)[N-][C@@H](c2ccccc2)C(F)F)c1 ZINC000431618746 500399547 /nfs/dbraw/zinc/39/95/47/500399547.db2.gz DMNVDPXUWZISDL-HNNXBMFYSA-N -1 3 369.389 3.066 20 0 FGADHM COC(=O)c1cc(C)ccc1S(=O)(=O)[N-][C@@H](c1ccccc1)C(F)F ZINC000431626811 500400506 /nfs/dbraw/zinc/40/05/06/500400506.db2.gz BVJRMMHCHULRIQ-HNNXBMFYSA-N -1 3 369.389 3.066 20 0 FGADHM CCc1ccc([C@@H](CNC(=O)N=c2[n-]nc(C)s2)N(CC)CC)cc1 ZINC000431717596 500414170 /nfs/dbraw/zinc/41/41/70/500414170.db2.gz ZMBAQMLPLAGIIS-MRXNPFEDSA-N -1 3 361.515 3.035 20 0 FGADHM CCOc1nc2cc(C(=O)NCc3nc(-c4ccccc4)c[nH]3)ccc2[n-]1 ZINC000431798167 500426478 /nfs/dbraw/zinc/42/64/78/500426478.db2.gz YUSBFCARKWDELN-UHFFFAOYSA-N -1 3 361.405 3.282 20 0 FGADHM Cc1nc(C(C)(C)[N-]S(=O)(=O)c2csc3ccc(Cl)cc32)no1 ZINC000431810329 500428080 /nfs/dbraw/zinc/42/80/80/500428080.db2.gz GPMABCXVIQNQPY-UHFFFAOYSA-N -1 3 371.871 3.460 20 0 FGADHM O=S(=O)([N-][C@@H]1CCC[C@@H]1OCc1ccccc1)c1cc(F)cc(F)c1 ZINC000427808283 500435534 /nfs/dbraw/zinc/43/55/34/500435534.db2.gz PEBYBPZHDGUDAV-MSOLQXFVSA-N -1 3 367.417 3.381 20 0 FGADHM O=C(Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1)c1cc([O-])ccc1Cl ZINC000431895088 500440220 /nfs/dbraw/zinc/44/02/20/500440220.db2.gz XZIVTLNXQHZIJM-INIZCTEOSA-N -1 3 360.797 3.415 20 0 FGADHM CCC[C@H]([N-]S(=O)(=O)c1cc(C(=O)OC)c(C)o1)c1ccccc1 ZINC000431990560 500452049 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CO[C@H](CC(C)C)CS(=O)(=O)[N-]C1(c2nc(C)cs2)CCCC1 ZINC000420672464 500486591 /nfs/dbraw/zinc/48/65/91/500486591.db2.gz FJOXOSXCGVBKJN-CQSZACIVSA-N -1 3 360.545 3.201 20 0 FGADHM CO[C@H](CC(C)C)CS(=O)(=O)[N-][C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000420679603 500487527 /nfs/dbraw/zinc/48/75/27/500487527.db2.gz VAFVJSJHGGKXDQ-GOEBONIOSA-N -1 3 366.483 3.383 20 0 FGADHM C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F)C(F)(F)F ZINC000420685339 500488172 /nfs/dbraw/zinc/48/81/72/500488172.db2.gz FPLYLXNBCIQNIO-LURJTMIESA-N -1 3 367.723 3.418 20 0 FGADHM CCCS(=O)(=O)[N-]c1ccccc1-c1nc(C2(N)CCCCC2)no1 ZINC000424343072 500489632 /nfs/dbraw/zinc/48/96/32/500489632.db2.gz JFFLYEOLLONXSG-UHFFFAOYSA-N -1 3 364.471 3.006 20 0 FGADHM CC(C)(C)C[C@@H](CO)[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000420700099 500489723 /nfs/dbraw/zinc/48/97/23/500489723.db2.gz RTSYIRKIDLNVLG-JTQLQIEISA-N -1 3 371.833 3.017 20 0 FGADHM O=S(=O)([N-][C@H]1CCCC(F)(F)C1)c1cc(F)ccc1OC(F)F ZINC000420700576 500489789 /nfs/dbraw/zinc/48/97/89/500489789.db2.gz RXQSGVYOMURWGL-VIFPVBQESA-N -1 3 359.316 3.283 20 0 FGADHM O=S(=O)([N-][C@@H]1CCCC(F)(F)C1)c1cc(F)ccc1OC(F)F ZINC000420700575 500489793 /nfs/dbraw/zinc/48/97/93/500489793.db2.gz RXQSGVYOMURWGL-SECBINFHSA-N -1 3 359.316 3.283 20 0 FGADHM CC[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)c(OC)cc2Cl)CCO1 ZINC000420728400 500492281 /nfs/dbraw/zinc/49/22/81/500492281.db2.gz PNEMVCZUVYIIAH-VHSXEESVSA-N -1 3 368.282 3.238 20 0 FGADHM C[C@@H]1Oc2ccccc2[C@H]1[N-]S(=O)(=O)c1cc(F)ccc1OC(F)F ZINC000420732565 500492793 /nfs/dbraw/zinc/49/27/93/500492793.db2.gz SBMSECHSNKDQKU-VFZGTOFNSA-N -1 3 373.352 3.228 20 0 FGADHM CCC(C)(C)OCC[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000420747428 500494166 /nfs/dbraw/zinc/49/41/66/500494166.db2.gz JCPDNGCIDDRRGP-UHFFFAOYSA-N -1 3 371.833 3.425 20 0 FGADHM COc1cccc2c1[C@H](C(=O)Nc1n[n-]c(-c3ccccc3OC)n1)CC2 ZINC000432411422 500513114 /nfs/dbraw/zinc/51/31/14/500513114.db2.gz YCGMEZFXAJPIDX-CQSZACIVSA-N -1 3 364.405 3.157 20 0 FGADHM Cc1c(F)cccc1S(=O)(=O)[N-]c1cccc2c1OCC[C@@H]2N(C)C ZINC000432461931 500518802 /nfs/dbraw/zinc/51/88/02/500518802.db2.gz RJXIXLNWKKCUJJ-INIZCTEOSA-N -1 3 364.442 3.320 20 0 FGADHM COc1cccc([C@H](CC(=O)[O-])NCc2ccc3c(c2)OC(F)(F)O3)c1 ZINC000424625540 500530497 /nfs/dbraw/zinc/53/04/97/500530497.db2.gz SYXXPCCRNNDJEE-AWEZNQCLSA-N -1 3 365.332 3.322 20 0 FGADHM Cc1nc(C)c(CCC(=O)N2CC[C@H](c3cccc(Cl)c3)C2)c(=O)[n-]1 ZINC000432557814 500532410 /nfs/dbraw/zinc/53/24/10/500532410.db2.gz NAXADHRKNSXGOU-HNNXBMFYSA-N -1 3 359.857 3.401 20 0 FGADHM CCCOc1cccnc1C(=O)[N-]c1ncn(Cc2ccc(Cl)cc2)n1 ZINC000428650604 500538356 /nfs/dbraw/zinc/53/83/56/500538356.db2.gz VUQXXEORCBUSSQ-UHFFFAOYSA-N -1 3 371.828 3.416 20 0 FGADHM COC(=O)c1cnc(SCc2nc(COc3cc(C)cc(C)c3)no2)[n-]1 ZINC000432663040 500545568 /nfs/dbraw/zinc/54/55/68/500545568.db2.gz DELZBGQJGSTEKU-UHFFFAOYSA-N -1 3 374.422 3.067 20 0 FGADHM COc1ccc2c(c1)[C@H](C(=O)Nc1nnc(-c3c(F)cccc3F)[n-]1)CC2 ZINC000432684836 500548035 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20 0 FGADHM CCCc1ccc([C@@H](C)N(CC(N)=O)C(=O)c2ccc([O-])c(C)c2)cc1 ZINC000436929353 500572591 /nfs/dbraw/zinc/57/25/91/500572591.db2.gz UGIBATWCSJGOGV-OAHLLOKOSA-N -1 3 354.450 3.342 20 0 FGADHM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(F)c3F)cc2o1 ZINC000442234169 500573802 /nfs/dbraw/zinc/57/38/02/500573802.db2.gz HAEXQKYDFBRNTK-UHFFFAOYSA-N -1 3 360.725 3.266 20 0 FGADHM COc1cccc(C(=O)N[C@@H](CO)c2c(Cl)cccc2Cl)c1[O-] ZINC000436935128 500574215 /nfs/dbraw/zinc/57/42/15/500574215.db2.gz VLDXPSMDYNISKT-LBPRGKRZSA-N -1 3 356.205 3.171 20 0 FGADHM CCN(c1ccccc1Cl)S(=O)(=O)c1ccc([O-])c(C(=O)OC)c1 ZINC000442247719 500574924 /nfs/dbraw/zinc/57/49/24/500574924.db2.gz FVXKTPHKMOHYAR-UHFFFAOYSA-N -1 3 369.826 3.047 20 0 FGADHM COc1cc(OC)cc(N2CCCN(C(=O)c3ccc([O-])c(C)c3)CC2)c1 ZINC000436939747 500575050 /nfs/dbraw/zinc/57/50/50/500575050.db2.gz QKFDHOJWXVLTJB-UHFFFAOYSA-N -1 3 370.449 3.070 20 0 FGADHM O=C(NC1CC1)c1ccc(NC(=O)c2ccc3c(c2[O-])CCCC3)cc1 ZINC000436948526 500576462 /nfs/dbraw/zinc/57/64/62/500576462.db2.gz OXFZWAAYXRHBAM-UHFFFAOYSA-N -1 3 350.418 3.416 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N(Cc2cccc(F)c2)C(C)C)c([O-])c1 ZINC000436954362 500578552 /nfs/dbraw/zinc/57/85/52/500578552.db2.gz VZEWYLUKTBXGRH-UHFFFAOYSA-N -1 3 372.440 3.397 20 0 FGADHM COc1c(NC(=O)c2cc(C)ccc2[O-])cc(Cl)cc1C(=O)N(C)C ZINC000436967934 500581525 /nfs/dbraw/zinc/58/15/25/500581525.db2.gz TZBRFJUCBRGZOS-UHFFFAOYSA-N -1 3 362.813 3.317 20 0 FGADHM CN(C(=O)c1ccc2c(c1[O-])CCCC2)[C@@H]1CCN(c2ccccc2)C1=O ZINC000436966297 500581878 /nfs/dbraw/zinc/58/18/78/500581878.db2.gz PERCDEVMZXPMII-LJQANCHMSA-N -1 3 364.445 3.149 20 0 FGADHM CC(C)n1ncc2c1C[C@@H](NC(=O)c1ccc3c(c1[O-])CCCC3)CC2 ZINC000436972003 500583725 /nfs/dbraw/zinc/58/37/25/500583725.db2.gz QSZYEUWTMSZLBV-INIZCTEOSA-N -1 3 353.466 3.336 20 0 FGADHM CSc1ccc(S(=O)(=O)[N-]c2cccc(F)c2-c2nc[nH]n2)cc1 ZINC000447281719 500584776 /nfs/dbraw/zinc/58/47/76/500584776.db2.gz TUHUAWVXSYEASI-UHFFFAOYSA-N -1 3 364.427 3.134 20 0 FGADHM 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C[C@H](c1ccccc1)N(C)C(=O)CN1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000573564159 506212425 /nfs/dbraw/zinc/21/24/25/506212425.db2.gz QXMDNBDXLOIPOO-AHRSYUTCSA-N -1 3 366.461 3.006 20 0 FGADHM Cc1nc2cc([N-]S(=O)(=O)c3ccc(OC(F)F)c(F)c3)ccc2[nH]1 ZINC000447894048 500687080 /nfs/dbraw/zinc/68/70/80/500687080.db2.gz BJVQFNUHHMZEBT-UHFFFAOYSA-N -1 3 371.340 3.413 20 0 FGADHM Cc1nc2ccc([N-]S(=O)(=O)c3ccc(OC(F)F)c(F)c3)cc2[nH]1 ZINC000447894048 500687082 /nfs/dbraw/zinc/68/70/82/500687082.db2.gz BJVQFNUHHMZEBT-UHFFFAOYSA-N -1 3 371.340 3.413 20 0 FGADHM Cc1cc(=O)[n-]c([C@H](C)N2CCN(c3ccc(C(F)(F)F)cc3)CC2)n1 ZINC000447892820 500687087 /nfs/dbraw/zinc/68/70/87/500687087.db2.gz XBMNCQFWZZVGEE-ZDUSSCGKSA-N -1 3 366.387 3.393 20 0 FGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]2CCC[C@@H](O)C2)c1Cl ZINC000443229929 500699233 /nfs/dbraw/zinc/69/92/33/500699233.db2.gz CLBHUPMEPAVDOB-GHMZBOCLSA-N -1 3 352.283 3.131 20 0 FGADHM O=S(=O)([N-][C@H](CO)c1cccc(F)c1)c1ccc(Cl)c(Cl)c1 ZINC000443266138 500701787 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C[C@@]1(CCc2ccccc2)CCN(C(=O)c2ccc3c(c2)C(=O)[N-]C3=O)C1 ZINC000434587690 500863056 /nfs/dbraw/zinc/86/30/56/500863056.db2.gz RNOODDSMCARXNQ-JOCHJYFZSA-N -1 3 362.429 3.055 20 0 FGADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(Cc2ccncc2F)CC1 ZINC000449015652 500898080 /nfs/dbraw/zinc/89/80/80/500898080.db2.gz LILDWURKGOFUOW-UHFFFAOYSA-N -1 3 363.820 3.430 20 0 FGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)c2cccc(Cl)c2)cc1F ZINC000444873397 500914689 /nfs/dbraw/zinc/91/46/89/500914689.db2.gz NGZKFFISZLNLPG-SNVBAGLBSA-N -1 3 371.817 3.305 20 0 FGADHM C[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000434958702 500916183 /nfs/dbraw/zinc/91/61/83/500916183.db2.gz OTYPBPCBBBZHIF-BXKDBHETSA-N -1 3 350.253 3.445 20 0 FGADHM Cc1cc2cc[nH]c2cc1NC(=O)NCCCNC(=O)c1cccc([O-])c1 ZINC000444974816 500928054 /nfs/dbraw/zinc/92/80/54/500928054.db2.gz JJGAXZUKQMEPKC-UHFFFAOYSA-N -1 3 366.421 3.124 20 0 FGADHM Cc1c([N-]S(=O)(=O)CCc2ccccc2)cnn1-c1ccccc1F ZINC000435145565 500938743 /nfs/dbraw/zinc/93/87/43/500938743.db2.gz FXUMYGLVFRVARU-UHFFFAOYSA-N -1 3 359.426 3.304 20 0 FGADHM O=C(Cc1noc(/C=C\c2cncc([O-])c2)n1)Nc1cccc2ncccc21 ZINC000445283178 500965913 /nfs/dbraw/zinc/96/59/13/500965913.db2.gz OSKVWNYUMJTULS-SREVYHEPSA-N -1 3 373.372 3.070 20 0 FGADHM CCN1CCC[C@@H](C[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)C1 ZINC000435425661 500972389 /nfs/dbraw/zinc/97/23/89/500972389.db2.gz ZQBLCWBUMHKVEA-JTQLQIEISA-N -1 3 369.289 3.143 20 0 FGADHM CCOc1ccc([C@@H]2C[C@H]2[N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)cc1 ZINC000435439258 500977510 /nfs/dbraw/zinc/97/75/10/500977510.db2.gz RUIFCLGQAILKPF-XJKSGUPXSA-N -1 3 371.380 3.337 20 0 FGADHM CCOc1cc(-c2noc(-c3ccc(C(=O)N(C)C)cc3)n2)ccc1[O-] ZINC000445426062 500983993 /nfs/dbraw/zinc/98/39/93/500983993.db2.gz HTVZVEZZWZEVFD-UHFFFAOYSA-N -1 3 353.378 3.210 20 0 FGADHM Cc1ccc(C(=O)NCCc2nc(-c3cc(C)c(O)c(C)c3)no2)c([O-])c1 ZINC000445479383 500992684 /nfs/dbraw/zinc/99/26/84/500992684.db2.gz BOJDVSYWJFPBQK-UHFFFAOYSA-N -1 3 367.405 3.046 20 0 FGADHM Cc1nsc(NC([O-])=C(c2ccccc2)N2CCc3ccccc32)n1 ZINC000440292383 500994340 /nfs/dbraw/zinc/99/43/40/500994340.db2.gz HFGRRXVWEMHHTO-KRWDZBQOSA-N -1 3 350.447 3.011 20 0 FGADHM COc1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccc(Cl)cc2)c(F)c1 ZINC000435594808 500998195 /nfs/dbraw/zinc/99/81/95/500998195.db2.gz XZERFXBTYIONNJ-DZGCQCFKSA-N -1 3 355.818 3.322 20 0 FGADHM COC[C@H]([N-]S(=O)(=O)c1cc(C)c(F)cc1F)c1ccc(F)cc1 ZINC000440400429 501004900 /nfs/dbraw/zinc/00/49/00/501004900.db2.gz WPONGIVCMXWDHX-HNNXBMFYSA-N -1 3 359.369 3.078 20 0 FGADHM Cc1ccc(C(=O)NCCc2nc(-c3coc4ccccc34)no2)c([O-])c1 ZINC000445583611 501006211 /nfs/dbraw/zinc/00/62/11/501006211.db2.gz KFPNWCRTNSLWOX-UHFFFAOYSA-N -1 3 363.373 3.469 20 0 FGADHM COc1ccccc1-c1nn(C)cc1C(=O)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000435674558 501009261 /nfs/dbraw/zinc/00/92/61/501009261.db2.gz HEYKXWCSFIUKGE-UHFFFAOYSA-N -1 3 373.416 3.160 20 0 FGADHM CC(C)(C(=O)N=c1cc(-c2ccccc2)[n-][nH]1)c1ccc2c(c1)OCCO2 ZINC000435678850 501009964 /nfs/dbraw/zinc/00/99/64/501009964.db2.gz SULHYUQRTNKLBT-UHFFFAOYSA-N -1 3 363.417 3.186 20 0 FGADHM Cc1ccc(-c2nc(-c3cnc(OCC(F)(F)F)cn3)no2)c([O-])c1C ZINC000445777278 501031172 /nfs/dbraw/zinc/03/11/72/501031172.db2.gz XNXPBZMHPFVACJ-UHFFFAOYSA-N -1 3 366.299 3.457 20 0 FGADHM O=C(Cc1noc(/C=C/c2cccc([O-])c2)n1)NCc1ccc(F)cc1F ZINC000445850444 501041010 /nfs/dbraw/zinc/04/10/10/501041010.db2.gz TWJFJWZAAOPZHR-QPJJXVBHSA-N -1 3 371.343 3.083 20 0 FGADHM C[S@@](=O)c1ccc(CC(=O)Nc2ccc([O-])c(C(F)(F)F)c2)cc1 ZINC000436144273 501077474 /nfs/dbraw/zinc/07/74/74/501077474.db2.gz AVJFUHYVXJJNIK-XMMPIXPASA-N -1 3 357.353 3.330 20 0 FGADHM CCOC(=O)c1sc2[n-]c([C@@H](C)Sc3ncco3)nc(=O)c2c1C ZINC000446125899 501078943 /nfs/dbraw/zinc/07/89/43/501078943.db2.gz JJBLLNPOBNYOKD-MRVPVSSYSA-N -1 3 365.436 3.311 20 0 FGADHM CCc1cc(=O)[n-]c(CN(C[C@@H](C)O)[C@H](C)Cc2ccc(Cl)cc2)n1 ZINC000441253043 501109056 /nfs/dbraw/zinc/10/90/56/501109056.db2.gz XCDYEXAXBUCUFF-ZIAGYGMSSA-N -1 3 363.889 3.212 20 0 FGADHM CCOC(=O)c1ccc(NC(=O)[C@H]2CCN(c3ccccc3)C2)c([O-])c1 ZINC000449876015 501114886 /nfs/dbraw/zinc/11/48/86/501114886.db2.gz GPPJXWKYLLGRTG-HNNXBMFYSA-N -1 3 354.406 3.034 20 0 FGADHM COC(=O)c1ccsc1[N-]C(=O)C(=O)Nc1cccc(SC)c1C ZINC000441326394 501120489 /nfs/dbraw/zinc/12/04/89/501120489.db2.gz FJEXGKYWLMDNEK-UHFFFAOYSA-N -1 3 364.448 3.142 20 0 FGADHM C[C@@H](CC1CCCCC1)NC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000446486045 501124349 /nfs/dbraw/zinc/12/43/49/501124349.db2.gz TURYSCUYTNXTHV-LBPRGKRZSA-N -1 3 356.463 3.286 20 0 FGADHM Cc1c(Br)ccc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)c1F ZINC000436428722 501125650 /nfs/dbraw/zinc/12/56/50/501125650.db2.gz BOAZMCQLHQQHLF-UHFFFAOYSA-N -1 3 367.100 3.286 20 0 FGADHM Cc1c(Br)ccc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)c1F ZINC000436428722 501125655 /nfs/dbraw/zinc/12/56/55/501125655.db2.gz BOAZMCQLHQQHLF-UHFFFAOYSA-N -1 3 367.100 3.286 20 0 FGADHM O=C(Cc1ccc([O-])c(F)c1)Nc1ccc(O[C@H]2CCCC[C@@H]2O)cc1 ZINC000449932666 501129567 /nfs/dbraw/zinc/12/95/67/501129567.db2.gz VVKFOFLMVOVWQK-OALUTQOASA-N -1 3 359.397 3.395 20 0 FGADHM CC(=O)c1[n-]c(=NC2CC(N3CCC(C(F)(F)F)CC3)C2)sc1C ZINC000450493696 501136519 /nfs/dbraw/zinc/13/65/19/501136519.db2.gz FTTBBJDCSFVFKP-UHFFFAOYSA-N -1 3 361.433 3.293 20 0 FGADHM COc1cccc(C(=O)NCc2ccnc(N3CCCCCC3)c2)c1[O-] ZINC000436496827 501139054 /nfs/dbraw/zinc/13/90/54/501139054.db2.gz KCOSXTZZDZYUOP-UHFFFAOYSA-N -1 3 355.438 3.106 20 0 FGADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2Cl)cc1F ZINC000446624387 501143830 /nfs/dbraw/zinc/14/38/30/501143830.db2.gz NHVAONGPRMBPEU-UHFFFAOYSA-N -1 3 361.753 3.206 20 0 FGADHM O=C(Cc1ccc([O-])c(F)c1)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000450528543 501145951 /nfs/dbraw/zinc/14/59/51/501145951.db2.gz PNMDTBVXKGGAOC-GFCCVEGCSA-N -1 3 371.334 3.153 20 0 FGADHM COc1ccccc1[C@@H]1CN(C(=O)c2cc3c(cc2[O-])CCCC3)CCN1 ZINC000436519988 501146184 /nfs/dbraw/zinc/14/61/84/501146184.db2.gz SUHVXZFPBPDDIP-IBGZPJMESA-N -1 3 366.461 3.066 20 0 FGADHM CCCN(C(=O)c1cc(OC)c([O-])c(OC)c1)[C@H]1C[C@H](OCC)C1(C)C ZINC000436523286 501147113 /nfs/dbraw/zinc/14/71/13/501147113.db2.gz RTIKVELLPXIOSF-IRXDYDNUSA-N -1 3 365.470 3.465 20 0 FGADHM CC(C)n1ncc2c1C[C@@H](NC(=O)c1cc3c(cc1[O-])CCCC3)CC2 ZINC000436527147 501148442 /nfs/dbraw/zinc/14/84/42/501148442.db2.gz CKOFZGJUBRSHON-KRWDZBQOSA-N -1 3 353.466 3.336 20 0 FGADHM COc1cccc(C(=O)N[C@H](Cn2ccnc2)c2ccc(C)cc2C)c1[O-] ZINC000441500999 501148891 /nfs/dbraw/zinc/14/88/91/501148891.db2.gz RINFDIRVCQTLBJ-GOSISDBHSA-N -1 3 365.433 3.385 20 0 FGADHM Cc1noc([C@H](C)NC(=O)c2cc(OCc3ccccc3)ccc2[O-])n1 ZINC000436531403 501149082 /nfs/dbraw/zinc/14/90/82/501149082.db2.gz HXBAIIGDHDJXPO-LBPRGKRZSA-N -1 3 353.378 3.154 20 0 FGADHM C[C@H]1CN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])C[C@H](C)S1=O ZINC000436534433 501150478 /nfs/dbraw/zinc/15/04/78/501150478.db2.gz XLYXNKIMHQAUFY-HOTGVXAUSA-N -1 3 371.502 3.159 20 0 FGADHM CC[C@H](CC(F)(F)F)C(=O)Nc1cc(C)ccc1[N-]S(C)(=O)=O ZINC000450002367 501150718 /nfs/dbraw/zinc/15/07/18/501150718.db2.gz HPLQTNWYTYQKLL-SNVBAGLBSA-N -1 3 352.378 3.284 20 0 FGADHM CC(=O)NC1CCC(NC(=O)c2cc(Oc3ccccc3)ccc2[O-])CC1 ZINC000436542059 501151958 /nfs/dbraw/zinc/15/19/58/501151958.db2.gz CIICCGHSXBTRHD-UHFFFAOYSA-N -1 3 368.433 3.362 20 0 FGADHM CC(C)[C@H](NC(=O)c1cc2c(cc1[O-])CCCC2)c1nnc2ccccn21 ZINC000436542360 501152030 /nfs/dbraw/zinc/15/20/30/501152030.db2.gz GLVKEUSOBXAGKV-IBGZPJMESA-N -1 3 364.449 3.441 20 0 FGADHM CCOC(=O)[C@H](Cc1ccccc1)N(C)C(=O)c1ccc(C)c(C)c1[O-] ZINC000436553118 501155245 /nfs/dbraw/zinc/15/52/45/501155245.db2.gz GPJMKGGGWJTZIG-SFHVURJKSA-N -1 3 355.434 3.255 20 0 FGADHM COc1cc(CN2CCN(C(=O)c3cccc([O-])c3)CC2)ccc1Cl ZINC000450574157 501157666 /nfs/dbraw/zinc/15/76/66/501157666.db2.gz YFZTVNLQTJBTFS-UHFFFAOYSA-N -1 3 360.841 3.012 20 0 FGADHM Cc1ccc([O-])c(C(=O)NCc2ccccc2CN2C[C@H](C)O[C@@H](C)C2)c1 ZINC000436562349 501158012 /nfs/dbraw/zinc/15/80/12/501158012.db2.gz ADZGOTOVRNNUPP-IRXDYDNUSA-N -1 3 368.477 3.240 20 0 FGADHM O=C(NCCCOC[C@@H]1CCOC1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436566012 501158693 /nfs/dbraw/zinc/15/86/93/501158693.db2.gz SUOMJSRPXVBVIS-INIZCTEOSA-N -1 3 371.433 3.358 20 0 FGADHM CC(=O)c1ccc(C(=O)N(C)Cc2c(C)nc3sc(C)cn32)cc1[O-] ZINC000436565355 501158965 /nfs/dbraw/zinc/15/89/65/501158965.db2.gz JBDCCTVYAHAXHD-UHFFFAOYSA-N -1 3 357.435 3.193 20 0 FGADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CC(=O)Nc2cnccc21 ZINC000436574786 501160340 /nfs/dbraw/zinc/16/03/40/501160340.db2.gz MNEDPSHNRURMRY-UHFFFAOYSA-N -1 3 373.412 3.171 20 0 FGADHM CCOC(=O)c1ccsc1[N-]C(=O)C(=O)N(C)Cc1ccc(CC)cc1 ZINC000441641577 501160719 /nfs/dbraw/zinc/16/07/19/501160719.db2.gz DMFXGHKWYLZFJX-UHFFFAOYSA-N -1 3 374.462 3.084 20 0 FGADHM COC(=O)c1c(CC(C)C)csc1[N-]C(=O)C(=O)N(C)[C@@H](C)C(C)C ZINC000441650271 501161173 /nfs/dbraw/zinc/16/11/73/501161173.db2.gz XXGKMWPOVXNSJB-LBPRGKRZSA-N -1 3 368.499 3.175 20 0 FGADHM CN(C)CC(=O)Nc1ccc(NC(=O)c2cc3c(cc2[O-])CCCC3)cc1 ZINC000436582987 501162061 /nfs/dbraw/zinc/16/20/61/501162061.db2.gz FOZYBGJBNCCWBC-UHFFFAOYSA-N -1 3 367.449 3.023 20 0 FGADHM Cc1ccc(C(=O)NCc2ccc(C)cc2OC[C@@H]2CCOC2)c([O-])c1 ZINC000436581788 501162366 /nfs/dbraw/zinc/16/23/66/501162366.db2.gz BYLPSCQSMRTKCK-MRXNPFEDSA-N -1 3 355.434 3.354 20 0 FGADHM COc1ccc(C(=O)N[C@H](C)c2nc(-c3ccc(F)c(C)c3)no2)c([O-])c1 ZINC000436584123 501162689 /nfs/dbraw/zinc/16/26/89/501162689.db2.gz IZOQJVJAWIWWJM-LLVKDONJSA-N -1 3 371.368 3.389 20 0 FGADHM C[C@H]1CN(CCCCNC(=O)c2ccc3ccccc3c2[O-])C[C@H](C)O1 ZINC000436589990 501164853 /nfs/dbraw/zinc/16/48/53/501164853.db2.gz XSAPPNVKPJCHFG-HOTGVXAUSA-N -1 3 356.466 3.165 20 0 FGADHM CC(C)n1cc2c(n1)C[C@@H](NC(=O)c1ccc3c(c1[O-])OC(C)(C)C3)CC2 ZINC000436596260 501165854 /nfs/dbraw/zinc/16/58/54/501165854.db2.gz LOHVQGCLJGQJLK-HNNXBMFYSA-N -1 3 369.465 3.170 20 0 FGADHM O=C(NCCc1csc(=O)[nH]1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436596685 501166081 /nfs/dbraw/zinc/16/60/81/501166081.db2.gz QVZFKDNILLUCFJ-UHFFFAOYSA-N -1 3 356.403 3.319 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@@H](Cc3ccccc3)OC)nc2)n1 ZINC000450614724 501167407 /nfs/dbraw/zinc/16/74/07/501167407.db2.gz OYNAKTMDCKQHQX-GOSISDBHSA-N -1 3 364.449 3.476 20 0 FGADHM O=C(c1ccccc1[O-])N1CCN(CCc2c(F)cccc2Cl)CC1 ZINC000436602345 501167833 /nfs/dbraw/zinc/16/78/33/501167833.db2.gz FAYHACNXSQWZBT-UHFFFAOYSA-N -1 3 362.832 3.185 20 0 FGADHM C[C@H](Cc1ccccc1)C(=O)N=c1nc(-c2ccccc2Cl)[n-]n1C ZINC000436603686 501168259 /nfs/dbraw/zinc/16/82/59/501168259.db2.gz MOCSRABGKBDWJA-CYBMUJFWSA-N -1 3 354.841 3.375 20 0 FGADHM O=C(c1c([O-])cccc1O)N1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000436622976 501171779 /nfs/dbraw/zinc/17/17/79/501171779.db2.gz YDXZEELGUXEYAS-HNNXBMFYSA-N -1 3 351.761 3.104 20 0 FGADHM CCOC(=O)c1nc(C2CCN(Cc3ccsc3Cl)CC2)n[n-]1 ZINC000446842348 501172414 /nfs/dbraw/zinc/17/24/14/501172414.db2.gz VVPWBJGQXDJOGR-UHFFFAOYSA-N -1 3 354.863 3.076 20 0 FGADHM CCOC(=O)c1nnc(C2CCN(Cc3ccsc3Cl)CC2)[n-]1 ZINC000446842348 501172418 /nfs/dbraw/zinc/17/24/18/501172418.db2.gz VVPWBJGQXDJOGR-UHFFFAOYSA-N -1 3 354.863 3.076 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N[C@@H](C)c2ccccc2Cl)c([O-])c1 ZINC000436631522 501173552 /nfs/dbraw/zinc/17/35/52/501173552.db2.gz SPLTZPWZCOTAFT-ZDUSSCGKSA-N -1 3 360.841 3.351 20 0 FGADHM NC(=O)C[C@@H](NC(=O)CCc1ccc2ccccc2c1[O-])C1CCCCC1 ZINC000450080603 501175154 /nfs/dbraw/zinc/17/51/54/501175154.db2.gz FCSNNTRFVJXNJY-LJQANCHMSA-N -1 3 368.477 3.419 20 0 FGADHM CC(=O)c1ccc(C(=O)N(Cc2ccccc2)C[C@@H]2CCCO2)cc1[O-] ZINC000436664602 501182545 /nfs/dbraw/zinc/18/25/45/501182545.db2.gz JXECQRVBNKNEQJ-SFHVURJKSA-N -1 3 353.418 3.416 20 0 FGADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCO[C@H](C2CC2)C1 ZINC000436675204 501184819 /nfs/dbraw/zinc/18/48/19/501184819.db2.gz KCERDDDJHCHWQP-NRFANRHFSA-N -1 3 351.446 3.428 20 0 FGADHM Cc1ccnc([C@H](NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)C2CC2)n1 ZINC000436674903 501185013 /nfs/dbraw/zinc/18/50/13/501185013.db2.gz UITMWUCEGXRFMI-OAHLLOKOSA-N -1 3 353.422 3.085 20 0 FGADHM CC1(C)Cc2ccc(C(=O)NC[C@@H](c3ccco3)N3CCCC3)c([O-])c2O1 ZINC000436674512 501185218 /nfs/dbraw/zinc/18/52/18/501185218.db2.gz IJRGWOSQHRVQHP-INIZCTEOSA-N -1 3 370.449 3.266 20 0 FGADHM COc1ccc(CNC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)c(OC)c1 ZINC000436679678 501186696 /nfs/dbraw/zinc/18/66/96/501186696.db2.gz HIAKMKPOFSQAKD-UHFFFAOYSA-N -1 3 357.406 3.053 20 0 FGADHM Cc1ccc(C(=O)NCc2cn3cc(Br)ccc3n2)c([O-])c1C ZINC000436687624 501188572 /nfs/dbraw/zinc/18/85/72/501188572.db2.gz JEFRBRRFUQDJPN-UHFFFAOYSA-N -1 3 374.238 3.349 20 0 FGADHM Cc1ccc(C(=O)NCCc2nc([C@H](C)Oc3ccccc3)no2)c([O-])c1 ZINC000436691177 501189887 /nfs/dbraw/zinc/18/98/87/501189887.db2.gz SUIMEJOIPROBCI-AWEZNQCLSA-N -1 3 367.405 3.196 20 0 FGADHM CCCCOc1ccc(C(=O)NCCCNC(=O)c2cccc([O-])c2)cc1 ZINC000588218960 506239592 /nfs/dbraw/zinc/23/95/92/506239592.db2.gz YLUGTPCETOLCHA-UHFFFAOYSA-N -1 3 370.449 3.121 20 0 FGADHM COc1cc(-c2noc(C(C)(C)NC(=O)c3ccccc3)n2)ccc1[O-] ZINC000436695580 501190362 /nfs/dbraw/zinc/19/03/62/501190362.db2.gz FWYPYDOXXXDFSD-UHFFFAOYSA-N -1 3 353.378 3.116 20 0 FGADHM Cc1ccc(C(=O)N[C@H]2CCCN([C@@H](C)c3ccc(F)cc3)C2=O)c([O-])c1 ZINC000436697474 501190422 /nfs/dbraw/zinc/19/04/22/501190422.db2.gz TUEUZYVZGBBWET-KSSFIOAISA-N -1 3 370.424 3.322 20 0 FGADHM CCCOc1ccc(C(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)c(OC)c1 ZINC000450138907 501191811 /nfs/dbraw/zinc/19/18/11/501191811.db2.gz FUNRMQIOLXHGFX-UHFFFAOYSA-N -1 3 356.382 3.423 20 0 FGADHM CCCOc1ccc(C(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)c(OC)c1 ZINC000450138907 501191814 /nfs/dbraw/zinc/19/18/14/501191814.db2.gz FUNRMQIOLXHGFX-UHFFFAOYSA-N -1 3 356.382 3.423 20 0 FGADHM CCCOc1ccc(C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)c(OC)c1 ZINC000450138907 501191816 /nfs/dbraw/zinc/19/18/16/501191816.db2.gz FUNRMQIOLXHGFX-UHFFFAOYSA-N -1 3 356.382 3.423 20 0 FGADHM CCOC(=O)[C@@H]1CN(C(=O)c2ccc([O-])c(CC)c2)Cc2ccccc21 ZINC000436704482 501192156 /nfs/dbraw/zinc/19/21/56/501192156.db2.gz PDPFETIOGLTLLX-GOSISDBHSA-N -1 3 353.418 3.257 20 0 FGADHM O=C(N[C@@H](CO)CC(F)(F)F)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436705120 501192269 /nfs/dbraw/zinc/19/22/69/501192269.db2.gz NXQFHLHUEDTZDL-CQSZACIVSA-N -1 3 353.340 3.026 20 0 FGADHM COc1cccc(NC2CCN(C(=O)c3ccc([O-])c(OC)c3)CC2)c1 ZINC000436705540 501192385 /nfs/dbraw/zinc/19/23/85/501192385.db2.gz PDFPHPCILZWGOX-UHFFFAOYSA-N -1 3 356.422 3.126 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N2CCC[C@@H]2c2ccc(F)cc2)c([O-])c1 ZINC000436708550 501193398 /nfs/dbraw/zinc/19/33/98/501193398.db2.gz SEEUUFWZYSHQPJ-GOSISDBHSA-N -1 3 370.424 3.323 20 0 FGADHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1C[C@H](C)CCC[C@H]1C ZINC000442049492 501193536 /nfs/dbraw/zinc/19/35/36/501193536.db2.gz MICLWKIPDUVKHR-DGCLKSJQSA-N -1 3 366.483 3.209 20 0 FGADHM Cc1cccc(C(=O)NCCOc2ccc(Br)cc2)c1[O-] ZINC000436712865 501194512 /nfs/dbraw/zinc/19/45/12/501194512.db2.gz HVZBXHQNUGBIHG-UHFFFAOYSA-N -1 3 350.212 3.272 20 0 FGADHM CN(C)CCn1nccc1NC(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000436714790 501194880 /nfs/dbraw/zinc/19/48/80/501194880.db2.gz VEEQGGPTNLXGRP-UHFFFAOYSA-N -1 3 358.829 3.209 20 0 FGADHM COc1ccc2c(c1)OCCN(C(=O)c1ccc3c(c1[O-])CCCC3)C2 ZINC000436717672 501195371 /nfs/dbraw/zinc/19/53/71/501195371.db2.gz UOKURKPVVCLOEQ-UHFFFAOYSA-N -1 3 353.418 3.314 20 0 FGADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)c1sccc1Cl ZINC000436721660 501197027 /nfs/dbraw/zinc/19/70/27/501197027.db2.gz MLZGTSXIGJGJSL-UHFFFAOYSA-N -1 3 364.854 3.142 20 0 FGADHM COC(=O)c1c(C)nc(=O)[n-]c1SCc1cccc2c1OC(C)(C)C2 ZINC000450735588 501197082 /nfs/dbraw/zinc/19/70/82/501197082.db2.gz FXQQCUAKNHKWIF-UHFFFAOYSA-N -1 3 360.435 3.283 20 0 FGADHM COc1cccc(N2CC[C@H](NC(=O)c3cc4c(cc3[O-])CCCC4)C2)c1 ZINC000436724274 501197199 /nfs/dbraw/zinc/19/71/99/501197199.db2.gz RXBHSSDTQUGHDA-KRWDZBQOSA-N -1 3 366.461 3.288 20 0 FGADHM CCC1CCC(CNC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)CC1 ZINC000436726155 501197871 /nfs/dbraw/zinc/19/78/71/501197871.db2.gz WQHZADCWWVDEOO-UHFFFAOYSA-N -1 3 373.497 3.076 20 0 FGADHM CC[C@@H](CNC(=O)c1cc(NC(C)=O)ccc1[O-])Oc1ccccc1C ZINC000436729794 501198632 /nfs/dbraw/zinc/19/86/32/501198632.db2.gz HXDIGAIBGOXSAB-INIZCTEOSA-N -1 3 356.422 3.246 20 0 FGADHM CCN1CC[C@@H](NC(=O)c2ccccc2[O-])[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000436740753 501202240 /nfs/dbraw/zinc/20/22/40/501202240.db2.gz RGBZETCTUCIHIH-QAPCUYQASA-N -1 3 364.367 3.375 20 0 FGADHM C[C@H]1CN(C(=O)C(C)(C)C)C[C@H](C)N1C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000436742440 501202429 /nfs/dbraw/zinc/20/24/29/501202429.db2.gz WIUACVBRFWNFJQ-GJZGRUSLSA-N -1 3 372.509 3.379 20 0 FGADHM CC(C)(C)OC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccc([O-])c(F)c1 ZINC000450182538 501203277 /nfs/dbraw/zinc/20/32/77/501203277.db2.gz DNMPLOUNIMSJPP-KRWDZBQOSA-N -1 3 373.424 3.143 20 0 FGADHM COc1cccc(C(=O)NCc2ccc(C)cc2OC[C@H]2CCCO2)c1[O-] ZINC000436749777 501204372 /nfs/dbraw/zinc/20/43/72/501204372.db2.gz UFWQLLQXEWYQQR-MRXNPFEDSA-N -1 3 371.433 3.197 20 0 FGADHM O=C(CCc1ccc2ccccc2c1[O-])N1CCO[C@@H](COCC2CC2)C1 ZINC000450775472 501206743 /nfs/dbraw/zinc/20/67/43/501206743.db2.gz KPNOTOOHBBXLHJ-LJQANCHMSA-N -1 3 369.461 3.132 20 0 FGADHM CC1(CNC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])CCCCCC1 ZINC000436769404 501208669 /nfs/dbraw/zinc/20/86/69/501208669.db2.gz NMVSCEVFSWTTRY-QGZVFWFLSA-N -1 3 358.482 3.474 20 0 FGADHM C[C@@H]1CCC[C@H](CCNC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)C1 ZINC000436771025 501208743 /nfs/dbraw/zinc/20/87/43/501208743.db2.gz RSNNXWVHPYHZKY-IAGOWNOFSA-N -1 3 373.497 3.076 20 0 FGADHM COc1cc(C)cc(-c2nc(-c3cnc(C4CCCC4)nc3N)no2)c1[O-] ZINC000436775499 501209339 /nfs/dbraw/zinc/20/93/39/501209339.db2.gz QABVMASFBOJKMT-UHFFFAOYSA-N -1 3 367.409 3.286 20 0 FGADHM Cc1ccc(C(=O)NCCc2nc(-c3occc3C(C)C)no2)c([O-])c1 ZINC000436778046 501210358 /nfs/dbraw/zinc/21/03/58/501210358.db2.gz DWUDRPGSPMSQSU-UHFFFAOYSA-N -1 3 355.394 3.440 20 0 FGADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCC[C@@](F)(CO)C1 ZINC000436782434 501210964 /nfs/dbraw/zinc/21/09/64/501210964.db2.gz IAVVVYCCGOMRMR-NRFANRHFSA-N -1 3 357.425 3.114 20 0 FGADHM COc1cc(C)cc(C(=O)Nc2ccc(OCC(F)(F)F)nc2)c1[O-] ZINC000436785682 501211645 /nfs/dbraw/zinc/21/16/45/501211645.db2.gz QAJAERMRPMVWER-UHFFFAOYSA-N -1 3 356.300 3.298 20 0 FGADHM COC(=O)c1cc(C)nc2nc(SC[C@@H]3CCCC3(F)F)[n-]c(=O)c12 ZINC000450817188 501213259 /nfs/dbraw/zinc/21/32/59/501213259.db2.gz DNOLYQSGHPOUAZ-VIFPVBQESA-N -1 3 369.393 3.353 20 0 FGADHM CN(Cc1ccc(Br)c(F)c1)C(=O)c1ccc(O)cc1[O-] ZINC000436805492 501213941 /nfs/dbraw/zinc/21/39/41/501213941.db2.gz DZSOZYLWNDOAND-UHFFFAOYSA-N -1 3 354.175 3.272 20 0 FGADHM CC1(C)CCC(CNC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)CC1 ZINC000436806299 501214273 /nfs/dbraw/zinc/21/42/73/501214273.db2.gz HAWJCJHXOHEAHN-UHFFFAOYSA-N -1 3 373.497 3.076 20 0 FGADHM COc1cc(-c2noc(-c3cnn(CCC(F)(F)F)c3)n2)ccc1[O-] ZINC000436814851 501215366 /nfs/dbraw/zinc/21/53/66/501215366.db2.gz MGRZCFDFIBXCNF-UHFFFAOYSA-N -1 3 354.288 3.267 20 0 FGADHM CCc1ccc(C(=O)N2CC(Cc3cc(OC)cc(OC)c3)C2)c([O-])c1 ZINC000436827074 501217296 /nfs/dbraw/zinc/21/72/96/501217296.db2.gz CQPRUMHHIDWAOA-UHFFFAOYSA-N -1 3 355.434 3.287 20 0 FGADHM COC(=O)[C@@H](NC(=O)c1cc(C(C)C)cc(C(C)C)c1[O-])c1ccn(C)n1 ZINC000436840489 501219599 /nfs/dbraw/zinc/21/95/99/501219599.db2.gz WUBRHXAJLPNFBN-KRWDZBQOSA-N -1 3 373.453 3.017 20 0 FGADHM CCc1ccc(C(=O)N2CCc3c(ncn3-c3ccc(F)cc3)C2)c([O-])c1 ZINC000436842577 501220043 /nfs/dbraw/zinc/22/00/43/501220043.db2.gz XFALRGHDDPZFIU-UHFFFAOYSA-N -1 3 365.408 3.478 20 0 FGADHM CCc1ccc(-c2nc(-c3ccc(NC(=O)COC)cc3)no2)c([O-])c1 ZINC000436848464 501220519 /nfs/dbraw/zinc/22/05/19/501220519.db2.gz ORWOKYAULKNIHD-UHFFFAOYSA-N -1 3 353.378 3.257 20 0 FGADHM CC(C)[C@H](NC(=O)c1cc(Cc2ccccc2)ccc1[O-])c1nncn1C ZINC000436848262 501220534 /nfs/dbraw/zinc/22/05/34/501220534.db2.gz NXAXXHNQOFQJOS-IBGZPJMESA-N -1 3 364.449 3.239 20 0 FGADHM CC(=O)c1ccc(C(=O)NC[C@@H](c2ccccc2Cl)N(C)C)cc1[O-] ZINC000436849906 501221272 /nfs/dbraw/zinc/22/12/72/501221272.db2.gz WDDWXXWAYJVABL-KRWDZBQOSA-N -1 3 360.841 3.281 20 0 FGADHM O=C(Nc1ccc2nncn2c1)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436860949 501222855 /nfs/dbraw/zinc/22/28/55/501222855.db2.gz RIRORKOHBWKGMX-UHFFFAOYSA-N -1 3 360.373 3.266 20 0 FGADHM Cc1ccc(C)c(CN(C)C(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])c1 ZINC000436868597 501224380 /nfs/dbraw/zinc/22/43/80/501224380.db2.gz AKHMXQUBHYSEQZ-LJQANCHMSA-N -1 3 366.461 3.272 20 0 FGADHM CCCCO[C@H]1C[C@@H](N(C)C(=O)c2cc(OC)c([O-])c(OC)c2)C1(C)C ZINC000436868853 501224671 /nfs/dbraw/zinc/22/46/71/501224671.db2.gz KTYDCFMBEZMEHT-SJORKVTESA-N -1 3 365.470 3.465 20 0 FGADHM CCCc1cc(C(=O)NCCNC(=O)c2ccc([O-])cc2)ccc1Cl ZINC000436886026 501227374 /nfs/dbraw/zinc/22/73/74/501227374.db2.gz JIHZWCXJKGPIRF-UHFFFAOYSA-N -1 3 360.841 3.158 20 0 FGADHM CC1CCC(C)(CNC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])CC1 ZINC000436890844 501228159 /nfs/dbraw/zinc/22/81/59/501228159.db2.gz VLQLCOUNAKIKDF-LBKMDBTOSA-N -1 3 358.482 3.329 20 0 FGADHM COc1ccc([C@@H](CN2CCCC2)NC(=O)c2c([O-])cccc2F)cc1 ZINC000436892439 501228710 /nfs/dbraw/zinc/22/87/10/501228710.db2.gz LVKRGZCFDPHMOF-QGZVFWFLSA-N -1 3 358.413 3.107 20 0 FGADHM CCC[C@@H](NC(=O)[C@@H](C)N1CCC(c2n[n-]c(=O)o2)CC1)c1ccccc1 ZINC000450913459 501228986 /nfs/dbraw/zinc/22/89/86/501228986.db2.gz JGLJKULRVCRASG-RHSMWYFYSA-N -1 3 372.469 3.001 20 0 FGADHM COc1ccc([O-])c(-c2nc(Cc3ccc(C(F)(F)F)cn3)no2)c1 ZINC000436894722 501229362 /nfs/dbraw/zinc/22/93/62/501229362.db2.gz GFGPBAWQFCPOLR-UHFFFAOYSA-N -1 3 351.284 3.455 20 0 FGADHM COc1ccc(C2(NC(=O)c3ccc(C)cc3[O-])CCOCC2)cc1F ZINC000436898394 501229722 /nfs/dbraw/zinc/22/97/22/501229722.db2.gz ALGHBQUGJCKKLU-UHFFFAOYSA-N -1 3 359.397 3.284 20 0 FGADHM CCn1cc(Br)c(=O)c(NC(=O)c2ccc(C)c(C)c2[O-])c1 ZINC000436905052 501230262 /nfs/dbraw/zinc/23/02/62/501230262.db2.gz NHFPIRQOFBYOGU-UHFFFAOYSA-N -1 3 365.227 3.205 20 0 FGADHM COc1ccc(C[C@@H](C)CNC(=O)Cc2ccc([O-])c(F)c2)cc1OC ZINC000450305271 501230280 /nfs/dbraw/zinc/23/02/80/501230280.db2.gz VUHAEVYIEXGROD-CYBMUJFWSA-N -1 3 361.413 3.086 20 0 FGADHM COC(=O)c1sc(NC(=O)c2c([O-])cccc2O)nc1C1CCCC1 ZINC000436905303 501230298 /nfs/dbraw/zinc/23/02/98/501230298.db2.gz NOXOQHXSQQNYLR-UHFFFAOYSA-N -1 3 362.407 3.251 20 0 FGADHM Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2ccc([O-])c(C)c2)cc1 ZINC000436927694 501233889 /nfs/dbraw/zinc/23/38/89/501233889.db2.gz OPQZLIREMZQSQP-MRXNPFEDSA-N -1 3 356.447 3.163 20 0 FGADHM Cc1cc(C(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C(C)C)ccc1[O-] ZINC000436923652 501233966 /nfs/dbraw/zinc/23/39/66/501233966.db2.gz DFSNWMPRXKYMMY-UHFFFAOYSA-N -1 3 351.406 3.400 20 0 FGADHM CCOc1ccc([N-]S(=O)(=O)C[C@H](OC)c2ccccc2)cc1OC ZINC000450975508 501236211 /nfs/dbraw/zinc/23/62/11/501236211.db2.gz XHBFQVZMINSWTB-SFHVURJKSA-N -1 3 365.451 3.223 20 0 FGADHM Cc1csc(S(=O)(=O)[N-]C[C@@H](c2ccco2)N2CCCCC2)c1 ZINC000450980452 501236597 /nfs/dbraw/zinc/23/65/97/501236597.db2.gz MXKBOAHQANTGJQ-AWEZNQCLSA-N -1 3 354.497 3.155 20 0 FGADHM CC(C)([N-]S(=O)(=O)c1ccc(OCC(F)(F)F)cc1)C(F)(F)F ZINC000451027729 501240372 /nfs/dbraw/zinc/24/03/72/501240372.db2.gz BQXCYHRLBJLFDG-UHFFFAOYSA-N -1 3 365.295 3.247 20 0 FGADHM O=S(=O)([N-]C[C@@H]1CCN(C2CC2)C1)c1sc2ccccc2c1Cl ZINC000451045418 501241625 /nfs/dbraw/zinc/24/16/25/501241625.db2.gz RIFGITJTCWOAHN-NSHDSACASA-N -1 3 370.927 3.317 20 0 FGADHM Cc1csc(S(=O)(=O)[N-]Cc2cccc(OCC(F)(F)F)c2)c1 ZINC000451055228 501242200 /nfs/dbraw/zinc/24/22/00/501242200.db2.gz NPGRPPMZOHWLIU-UHFFFAOYSA-N -1 3 365.398 3.476 20 0 FGADHM Cc1csc(S(=O)(=O)[N-]CC2(c3ccc(F)cc3)CCOCC2)c1 ZINC000451105164 501246159 /nfs/dbraw/zinc/24/61/59/501246159.db2.gz SBHOYCJSWGGRCA-UHFFFAOYSA-N -1 3 369.483 3.222 20 0 FGADHM CCOC(=O)C[C@@H]([N-]S(=O)(=O)c1sccc1Cl)c1ccccc1 ZINC000451114645 501246688 /nfs/dbraw/zinc/24/66/88/501246688.db2.gz LUNQTAYLOKKVPJ-CYBMUJFWSA-N -1 3 373.883 3.374 20 0 FGADHM Cc1csc(S(=O)(=O)[N-]C[C@@H]2CCN(c3ccc(F)cc3)C2)c1 ZINC000451112129 501246698 /nfs/dbraw/zinc/24/66/98/501246698.db2.gz VGMOTGOYQOASGN-ZDUSSCGKSA-N -1 3 354.472 3.000 20 0 FGADHM C[C@@H](C[N-]S(=O)(=O)c1sccc1Cl)N(C)Cc1ccccc1 ZINC000451192510 501251003 /nfs/dbraw/zinc/25/10/03/501251003.db2.gz KNCFVFABCRMHEH-LBPRGKRZSA-N -1 3 358.916 3.200 20 0 FGADHM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2sc3ccccc3c2Cl)CCN1C ZINC000451245225 501254496 /nfs/dbraw/zinc/25/44/96/501254496.db2.gz OQHZSOZABIKYEW-QWRGUYRKSA-N -1 3 358.916 3.316 20 0 FGADHM CC[C@@H]([N-]S(=O)(=O)c1cnccc1C)c1nc(C(F)(F)F)cs1 ZINC000451274705 501256952 /nfs/dbraw/zinc/25/69/52/501256952.db2.gz QBOQODQBXOBHFI-SECBINFHSA-N -1 3 365.402 3.295 20 0 FGADHM CCc1noc(CC)c1C[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC000451293870 501258749 /nfs/dbraw/zinc/25/87/49/501258749.db2.gz GDSXIHGBRNDHHQ-UHFFFAOYSA-N -1 3 352.387 3.163 20 0 FGADHM C[C@@H](C[N-]S(=O)(=O)c1cccc2c(Cl)ccnc21)C(F)(F)F ZINC000451404857 501284480 /nfs/dbraw/zinc/28/44/80/501284480.db2.gz HFVAXDDDXPKLEF-QMMMGPOBSA-N -1 3 352.765 3.365 20 0 FGADHM Cn1ncc(Br)c1C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000451474508 501300986 /nfs/dbraw/zinc/30/09/86/501300986.db2.gz ANPQYDGNJZKUHZ-UHFFFAOYSA-N -1 3 352.232 3.438 20 0 FGADHM CN(C)C[C@H]([N-]S(=O)(=O)c1sccc1Cl)c1ccc(F)cc1 ZINC000451550305 501320881 /nfs/dbraw/zinc/32/08/81/501320881.db2.gz IKZDCBOXNRPIGD-ZDUSSCGKSA-N -1 3 362.879 3.122 20 0 FGADHM O=S(=O)([N-]CCCC1CCOCC1)c1ccc(F)cc1C(F)(F)F ZINC000451610211 501336298 /nfs/dbraw/zinc/33/62/98/501336298.db2.gz SHRPTLLPDMWNNQ-UHFFFAOYSA-N -1 3 369.380 3.330 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]C[C@@H]2CSc3ccccc32)c(F)c1 ZINC000451612470 501336478 /nfs/dbraw/zinc/33/64/78/501336478.db2.gz KNUXWMFRRQRJTD-LLVKDONJSA-N -1 3 353.440 3.002 20 0 FGADHM CC[C@H](COCC(F)(F)F)[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000451656893 501345964 /nfs/dbraw/zinc/34/59/64/501345964.db2.gz VDNOVMAXVCVTNF-SECBINFHSA-N -1 3 363.760 3.115 20 0 FGADHM CC[C@@H](C)N(CC(=O)[O-])Cc1cc2c(cc1Br)OCCCO2 ZINC000455642086 501354276 /nfs/dbraw/zinc/35/42/76/501354276.db2.gz LULIEDDNFQAKKH-LLVKDONJSA-N -1 3 372.259 3.296 20 0 FGADHM CO[C@](C)(C[N-]S(=O)(=O)C[C@H]1CCCCC1(F)F)c1ccccc1 ZINC000451814986 501377917 /nfs/dbraw/zinc/37/79/17/501377917.db2.gz UZFHZOXWEPTPFZ-HZPDHXFCSA-N -1 3 361.454 3.293 20 0 FGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H]1CCO[C@H](C(C)C)C1 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ZINC000483569516 502433758 /nfs/dbraw/zinc/43/37/58/502433758.db2.gz CCZMQCNJXLBOAH-UHFFFAOYSA-N -1 3 355.364 3.191 20 0 FGADHM CC(C)CN(Cc1ccccc1)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000483569516 502433764 /nfs/dbraw/zinc/43/37/64/502433764.db2.gz CCZMQCNJXLBOAH-UHFFFAOYSA-N -1 3 355.364 3.191 20 0 FGADHM CCCCn1c(=O)[n-]nc1S(=O)(=O)Cc1c(C)c(C)c(C)c(C)c1C ZINC000479989673 502439365 /nfs/dbraw/zinc/43/93/65/502439365.db2.gz QGLAIRGSSHJWSO-UHFFFAOYSA-N -1 3 365.499 3.300 20 0 FGADHM COc1ccccc1C[C@@H](C)N(C)C(=O)c1c[n-]c2ccccc2c1=O ZINC000479993908 502440832 /nfs/dbraw/zinc/44/08/32/502440832.db2.gz QPBZKOGZOUUJJD-CQSZACIVSA-N -1 3 350.418 3.240 20 0 FGADHM Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1s[n-]c(=O)c1Cl)N(C)C ZINC000487430164 502441492 /nfs/dbraw/zinc/44/14/92/502441492.db2.gz KSOKPJZWOJJQPX-GXFFZTMASA-N -1 3 353.875 3.232 20 0 FGADHM CCCc1n[n-]c(=NC(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)s1 ZINC000472790744 502442082 /nfs/dbraw/zinc/44/20/82/502442082.db2.gz OMMYJCWUWAAZMT-INIZCTEOSA-N -1 3 373.526 3.041 20 0 FGADHM CCc1[nH]nc(NC(=O)c2cc(-c3ccc(C)o3)[n-]n2)c1Br ZINC000480007410 502443973 /nfs/dbraw/zinc/44/39/73/502443973.db2.gz DHULXVORBWBVFC-UHFFFAOYSA-N -1 3 364.203 3.278 20 0 FGADHM CCc1[nH]nc(NC(=O)c2cc(-c3ccc(C)o3)n[n-]2)c1Br ZINC000480007410 502443978 /nfs/dbraw/zinc/44/39/78/502443978.db2.gz DHULXVORBWBVFC-UHFFFAOYSA-N -1 3 364.203 3.278 20 0 FGADHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)CCN1C ZINC000462493814 502463695 /nfs/dbraw/zinc/46/36/95/502463695.db2.gz VUKZSTBOEWLOIN-SCZZXKLOSA-N -1 3 371.717 3.408 20 0 FGADHM COc1cc(F)c(S(=O)(=O)[N-][C@@H]2C[C@@H]2C2CCCCC2)cc1OC ZINC000462499870 502466367 /nfs/dbraw/zinc/46/63/67/502466367.db2.gz IRVUOOMBWHSYSA-TZMCWYRMSA-N -1 3 357.447 3.090 20 0 FGADHM C[C@H]([N-]S(=O)(=O)Cc1ccon1)c1c(Cl)ccc(F)c1Cl ZINC000462543686 502481039 /nfs/dbraw/zinc/48/10/39/502481039.db2.gz USXCMFRFGIHCKZ-ZETCQYMHSA-N -1 3 353.202 3.301 20 0 FGADHM COC(=O)c1cc(C)c(C)c(S(=O)(=O)[N-]c2cc(F)c(F)cc2F)c1 ZINC000476427658 502486125 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COC(=O)c1ccc(N2CCN(Cc3cc([O-])cc(F)c3)[C@H](C)C2)cc1 ZINC000473146380 502527629 /nfs/dbraw/zinc/52/76/29/502527629.db2.gz YSHPGAHSRXCHTQ-CQSZACIVSA-N -1 3 358.413 3.029 20 0 FGADHM FC(F)(F)c1nnc(CNc2ccnc3ccc(Br)cc32)[n-]1 ZINC000480307036 502532184 /nfs/dbraw/zinc/53/21/84/502532184.db2.gz LXZSILUMYDDNTM-UHFFFAOYSA-N -1 3 372.148 3.168 20 0 FGADHM FC(F)(F)c1nc(CNc2ccnc3ccc(Br)cc32)n[n-]1 ZINC000480307036 502532187 /nfs/dbraw/zinc/53/21/87/502532187.db2.gz LXZSILUMYDDNTM-UHFFFAOYSA-N -1 3 372.148 3.168 20 0 FGADHM FC(F)(F)c1n[n-]c(CNc2ccnc3ccc(Br)cc32)n1 ZINC000480307036 502532192 /nfs/dbraw/zinc/53/21/92/502532192.db2.gz LXZSILUMYDDNTM-UHFFFAOYSA-N -1 3 372.148 3.168 20 0 FGADHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(F)ccc2Cl)C12CCCC2 ZINC000462684979 502534168 /nfs/dbraw/zinc/53/41/68/502534168.db2.gz VVKLSUIRSYMEMY-LSDHHAIUSA-N -1 3 361.866 3.495 20 0 FGADHM C[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1Cl)Oc1ccc(F)cc1 ZINC000462699892 502539100 /nfs/dbraw/zinc/53/91/00/502539100.db2.gz 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FGADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]CCC=C(C)C ZINC000480695572 502644919 /nfs/dbraw/zinc/64/49/19/502644919.db2.gz QTLRMCATWYRNEP-UHFFFAOYSA-N -1 3 353.465 3.323 20 0 FGADHM COCCCCc1cccnc1NC(=O)c1c[n-]c2c(C)cccc2c1=O ZINC000463011631 502658223 /nfs/dbraw/zinc/65/82/23/502658223.db2.gz PGDQCMYLPIBQNQ-UHFFFAOYSA-N -1 3 365.433 3.453 20 0 FGADHM COc1cc(NC(=O)c2cc(-c3ccc(C)o3)[n-]n2)cc(-n2cccn2)c1 ZINC000473665376 502671720 /nfs/dbraw/zinc/67/17/20/502671720.db2.gz ZYXNGTYFXFKXPZ-UHFFFAOYSA-N -1 3 363.377 3.425 20 0 FGADHM COc1cc(NC(=O)c2cc(-c3ccc(C)o3)n[n-]2)cc(-n2cccn2)c1 ZINC000473665376 502671722 /nfs/dbraw/zinc/67/17/22/502671722.db2.gz ZYXNGTYFXFKXPZ-UHFFFAOYSA-N -1 3 363.377 3.425 20 0 FGADHM C[C@@H]1CCC[C@H](C)N1CCNC(=O)c1ccc(Br)c([O-])c1 ZINC000488268722 502674269 /nfs/dbraw/zinc/67/42/69/502674269.db2.gz OVMBZQWNTNMKQQ-TXEJJXNPSA-N -1 3 355.276 3.147 20 0 FGADHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2CCC2CCCC2)c(C)o1 ZINC000488272692 502675726 /nfs/dbraw/zinc/67/57/26/502675726.db2.gz OCCWHHIZWFYZBA-OAHLLOKOSA-N -1 3 368.499 3.071 20 0 FGADHM CC(C)n1cc2c(n1)C[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)CC2 ZINC000480832774 502683232 /nfs/dbraw/zinc/68/32/32/502683232.db2.gz VXJHEOLKUBDHFI-ZDUSSCGKSA-N -1 3 371.865 3.092 20 0 FGADHM CC(C)OCCS(=O)(=O)[N-]c1cccc(-c2nc3ccccc3n2C)c1 ZINC000484618058 502684328 /nfs/dbraw/zinc/68/43/28/502684328.db2.gz PVNKNKBTSDOLIH-UHFFFAOYSA-N -1 3 373.478 3.407 20 0 FGADHM CC[C@@H](C)Oc1cccc(NC(=O)NCc2nnc(C(F)(F)F)[n-]2)c1 ZINC000480840619 502684725 /nfs/dbraw/zinc/68/47/25/502684725.db2.gz HGYYWTXNAREMTR-SECBINFHSA-N -1 3 357.336 3.323 20 0 FGADHM CC[C@@H](C)Oc1cccc(NC(=O)NCc2n[n-]c(C(F)(F)F)n2)c1 ZINC000480840619 502684732 /nfs/dbraw/zinc/68/47/32/502684732.db2.gz HGYYWTXNAREMTR-SECBINFHSA-N -1 3 357.336 3.323 20 0 FGADHM CC[C@@H](C)Oc1cccc(NC(=O)NCc2nc(C(F)(F)F)n[n-]2)c1 ZINC000480840619 502684738 /nfs/dbraw/zinc/68/47/38/502684738.db2.gz HGYYWTXNAREMTR-SECBINFHSA-N -1 3 357.336 3.323 20 0 FGADHM O=S(=O)([N-]Cc1noc2ccccc21)c1cc(C(F)(F)F)ccc1F ZINC000470238266 502712656 /nfs/dbraw/zinc/71/26/56/502712656.db2.gz PVNQABDFJNDUDK-UHFFFAOYSA-N -1 3 374.315 3.464 20 0 FGADHM COC(=O)c1csc(S(=O)(=O)[N-][C@H]2CCCc3ccc(F)cc32)c1 ZINC000480975323 502717632 /nfs/dbraw/zinc/71/76/32/502717632.db2.gz BXIZJQJVPOCLIW-AWEZNQCLSA-N -1 3 369.439 3.030 20 0 FGADHM COc1cc(C)c(NC(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)cc1C ZINC000470279493 502723549 /nfs/dbraw/zinc/72/35/49/502723549.db2.gz SWQHUWSHTQERMZ-UHFFFAOYSA-N -1 3 366.414 3.075 20 0 FGADHM Cc1c(C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)cnn1-c1cc(C)ccc1C ZINC000473852633 502725002 /nfs/dbraw/zinc/72/50/02/502725002.db2.gz VGRAOBHBNJMCPO-SFHVURJKSA-N -1 3 365.437 3.046 20 0 FGADHM CC(C)=CCCNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000481002232 502725034 /nfs/dbraw/zinc/72/50/34/502725034.db2.gz IAQSTKFRJMDBDC-UHFFFAOYSA-N -1 3 365.430 3.041 20 0 FGADHM CCC1(C[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)CCOCC1 ZINC000466923957 502729402 /nfs/dbraw/zinc/72/94/02/502729402.db2.gz GIDPPQOTABEACN-UHFFFAOYSA-N -1 3 369.380 3.330 20 0 FGADHM COc1ccc(CC[C@H](C)[N-]S(=O)(=O)c2ccc(OC)cc2F)cc1 ZINC000481055047 502741712 /nfs/dbraw/zinc/74/17/12/502741712.db2.gz HLJFRWXIDKSHNW-ZDUSSCGKSA-N -1 3 367.442 3.143 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]c2ccnc(N(C)C)c2)ccc1Br ZINC000481055695 502742016 /nfs/dbraw/zinc/74/20/16/502742016.db2.gz SHYNUNBWSBISGA-UHFFFAOYSA-N -1 3 370.272 3.019 20 0 FGADHM Cc1nc(C)c(CCC(=O)Nc2ccc(-c3nccs3)cc2)c(=O)[n-]1 ZINC000488538458 502744679 /nfs/dbraw/zinc/74/46/79/502744679.db2.gz DTYZGSOJHMSQEA-UHFFFAOYSA-N -1 3 354.435 3.494 20 0 FGADHM O=C(c1ccc2c(c1)C(=O)[N-]C2=O)N1CC=C(c2cccc(Cl)c2)CC1 ZINC000477347743 502749690 /nfs/dbraw/zinc/74/96/90/502749690.db2.gz IEJDQQKZXZSLPQ-UHFFFAOYSA-N -1 3 366.804 3.153 20 0 FGADHM CCc1cc(C(=O)N[C@H](Cn2ccccc2=O)c2ccccc2)ccc1[O-] ZINC000488559885 502751133 /nfs/dbraw/zinc/75/11/33/502751133.db2.gz JIVUYKGGKVTDRE-LJQANCHMSA-N -1 3 362.429 3.288 20 0 FGADHM CCS[C@@H]1CCC[C@@H]1NC(=O)Cc1ccc(Br)cc1[O-] ZINC000477374637 502757578 /nfs/dbraw/zinc/75/75/78/502757578.db2.gz NTMIKZOUCZRRBB-GXTWGEPZSA-N -1 3 358.301 3.488 20 0 FGADHM Cc1nc(S(=O)(=O)[N-][C@H](C)[C@@H](c2ccccc2C)N(C)C)sc1C ZINC000473943100 502757767 /nfs/dbraw/zinc/75/77/67/502757767.db2.gz WJXDIYODDLOKPS-CJNGLKHVSA-N -1 3 367.540 3.038 20 0 FGADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCN(C)[C@@H]2c2ccccc2)sc1Cl ZINC000473951795 502759820 /nfs/dbraw/zinc/75/98/20/502759820.db2.gz OOBRVNTUYQETAD-UKRRQHHQSA-N -1 3 370.927 3.434 20 0 FGADHM Cc1ccccc1[C@@H]([C@H](C)[N-]S(=O)(=O)c1cccc(F)c1F)N(C)C ZINC000473950297 502760213 /nfs/dbraw/zinc/76/02/13/502760213.db2.gz HNYCBVHXODXUBM-SCLBCKFNSA-N -1 3 368.449 3.243 20 0 FGADHM COc1ccc2c(c1)OC[C@H]([N-]S(=O)(=O)c1cc(C)c(Cl)s1)C2 ZINC000473954414 502760804 /nfs/dbraw/zinc/76/08/04/502760804.db2.gz XPWYMDIWBNAXNB-LLVKDONJSA-N -1 3 373.883 3.001 20 0 FGADHM COc1ccc(Br)c(S(=O)(=O)[N-]Cc2ccccc2F)c1 ZINC000474027776 502783287 /nfs/dbraw/zinc/78/32/87/502783287.db2.gz ACEWDOLERHSOOM-UHFFFAOYSA-N -1 3 374.231 3.075 20 0 FGADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]C[C@H]1CC[C@@H](C)C1 ZINC000481224476 502789072 /nfs/dbraw/zinc/78/90/72/502789072.db2.gz GCJWHZLTBMSCGV-NEPJUHHUSA-N -1 3 367.492 3.402 20 0 FGADHM COC(=O)C[C@H](NC(=O)c1cccc(OC)c1[O-])c1ccc(Cl)cc1 ZINC000477503161 502791332 /nfs/dbraw/zinc/79/13/32/502791332.db2.gz MZOMOPTYJUWERG-AWEZNQCLSA-N -1 3 363.797 3.088 20 0 FGADHM COc1cc(Cl)c(Cl)cc1NC(=O)NCc1cnc(C)[n-]c1=O ZINC000484994908 502796189 /nfs/dbraw/zinc/79/61/89/502796189.db2.gz LNIRVESGEXMXAY-UHFFFAOYSA-N -1 3 357.197 3.128 20 0 FGADHM COc1cccc(CCC[N-]S(=O)(=O)c2cc(F)ccc2Cl)c1 ZINC000488731978 502796462 /nfs/dbraw/zinc/79/64/62/502796462.db2.gz XQRHDDXUSTZPDH-UHFFFAOYSA-N -1 3 357.834 3.399 20 0 FGADHM CCn1cnc(S(=O)(=O)[N-][C@@H](c2ccc(Cl)cc2)C2CCC2)c1 ZINC000474077906 502801202 /nfs/dbraw/zinc/80/12/02/502801202.db2.gz DQGZTGYZOXPLID-MRXNPFEDSA-N -1 3 353.875 3.376 20 0 FGADHM CCn1cnc(S(=O)(=O)[N-]C[C@@H](C)c2c(Cl)cccc2Cl)c1 ZINC000474083638 502803169 /nfs/dbraw/zinc/80/31/69/502803169.db2.gz PQBHYBQKKBTLCL-SNVBAGLBSA-N -1 3 362.282 3.292 20 0 FGADHM C[C@H](C[C@H]1CCCO1)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000488756090 502803217 /nfs/dbraw/zinc/80/32/17/502803217.db2.gz CKEYTIOIFNCGBE-MWLCHTKSSA-N -1 3 355.353 3.080 20 0 FGADHM CCCNc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)C[C@@H](C)OC ZINC000509090894 502818612 /nfs/dbraw/zinc/81/86/12/502818612.db2.gz XCUXDKDLPPMPED-SNVBAGLBSA-N -1 3 354.394 3.304 20 0 FGADHM CCC[C@@H](C)[C@@H]1CCCN1C(=O)C(=O)[N-]c1scc(C)c1C(=O)OC ZINC000500642746 502831552 /nfs/dbraw/zinc/83/15/52/502831552.db2.gz SDDPOTXHUIDOQE-YPMHNXCESA-N -1 3 366.483 3.209 20 0 FGADHM Cc1ccc([C@@H](C)[C@@H](O)C(=O)N=c2cc(-c3cc(F)cc(F)c3)[n-][nH]2)cc1 ZINC000495383836 502832606 /nfs/dbraw/zinc/83/26/06/502832606.db2.gz LZXHVTSPDZIZDQ-CWTRNNRKSA-N -1 3 371.387 3.188 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Br)c1ccon1 ZINC000509196893 502845613 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503458394 /nfs/dbraw/zinc/45/83/94/503458394.db2.gz ASSXNALOMNWLDF-UHFFFAOYSA-N -1 3 364.380 3.449 20 0 FGADHM O=C(NCCCOc1ccc2ccccc2c1)c1cc(F)cc2n[n-]nc21 ZINC000503682578 503458397 /nfs/dbraw/zinc/45/83/97/503458397.db2.gz ASSXNALOMNWLDF-UHFFFAOYSA-N -1 3 364.380 3.449 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)[C@@H]1CCCOC1 ZINC000503738522 503466753 /nfs/dbraw/zinc/46/67/53/503466753.db2.gz NKPFHALTWXMMIJ-NXEZZACHSA-N -1 3 371.808 3.452 20 0 FGADHM COc1cc(Cl)c(S(=O)(=O)[N-]CCC2CCOCC2)cc1Cl ZINC000512145935 503468482 /nfs/dbraw/zinc/46/84/82/503468482.db2.gz JFOMAJHXYLMJGV-UHFFFAOYSA-N -1 3 368.282 3.097 20 0 FGADHM O=S(=O)([N-]CCc1ccc2c(c1)CCO2)c1cccc(Cl)c1Cl ZINC000512160534 503472407 /nfs/dbraw/zinc/47/24/07/503472407.db2.gz QONJBXMTXZDUBP-UHFFFAOYSA-N -1 3 372.273 3.449 20 0 FGADHM CC(C)n1cnc(S(=O)(=O)[N-][C@]2(c3ccc(Cl)cc3)C[C@H]2C)c1 ZINC000499753593 503474035 /nfs/dbraw/zinc/47/40/35/503474035.db2.gz AJARNUYBPJLGMR-MLGOLLRUSA-N -1 3 353.875 3.331 20 0 FGADHM Cc1ccc(Sc2nsc([N-]C(=O)c3cc4n(n3)CCCO4)n2)cc1 ZINC000516234907 503477122 /nfs/dbraw/zinc/47/71/22/503477122.db2.gz LWWXBGHARWYQRS-UHFFFAOYSA-N -1 3 373.463 3.229 20 0 FGADHM CC[C@H](Oc1cccc(C)c1)C(=O)Nc1nc2cccc(C(=O)OC)c2[n-]1 ZINC000494103182 503487869 /nfs/dbraw/zinc/48/78/69/503487869.db2.gz KGWYJBTVPBTRIW-INIZCTEOSA-N -1 3 367.405 3.454 20 0 FGADHM CC[C@H](Oc1cccc(C)c1)C(=O)Nc1nc2c(cccc2C(=O)OC)[n-]1 ZINC000494103182 503487872 /nfs/dbraw/zinc/48/78/72/503487872.db2.gz KGWYJBTVPBTRIW-INIZCTEOSA-N -1 3 367.405 3.454 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)c3csc(C(C)(C)C)n3)[n-]c21 ZINC000494138495 503493048 /nfs/dbraw/zinc/49/30/48/503493048.db2.gz ABCCWBUBXVNKNH-UHFFFAOYSA-N -1 3 358.423 3.356 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3csc(C(C)(C)C)n3)nc21 ZINC000494138495 503493049 /nfs/dbraw/zinc/49/30/49/503493049.db2.gz ABCCWBUBXVNKNH-UHFFFAOYSA-N -1 3 358.423 3.356 20 0 FGADHM CN(Cc1cc(F)cc(F)c1)C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000508446801 503495667 /nfs/dbraw/zinc/49/56/67/503495667.db2.gz OSGAFKACSNSCQQ-UHFFFAOYSA-N -1 3 364.298 3.357 20 0 FGADHM CCOCCCn1c2ccccc2nc1[N-]S(=O)(=O)CCC1CC1 ZINC000494172685 503498459 /nfs/dbraw/zinc/49/84/59/503498459.db2.gz XVJDJGWGRYDAFX-UHFFFAOYSA-N -1 3 351.472 3.005 20 0 FGADHM COCCN(C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O)[C@@H]1CC[C@H](C)C1 ZINC000508469110 503500115 /nfs/dbraw/zinc/50/01/15/503500115.db2.gz UFCTXROPVSHXBU-WCQYABFASA-N -1 3 364.392 3.084 20 0 FGADHM CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)N=c2cc(-c3ccccc3C)[n-][nH]2)C1 ZINC000512321549 503518792 /nfs/dbraw/zinc/51/87/92/503518792.db2.gz JVDGSDKGDIBIHU-GDBMZVCRSA-N -1 3 368.481 3.030 20 0 FGADHM O=C(NCc1ccncc1OCC(F)(F)F)c1cc([O-])ccc1Cl ZINC000512339384 503523309 /nfs/dbraw/zinc/52/33/09/503523309.db2.gz UZNFZLSYMKSDOD-UHFFFAOYSA-N -1 3 360.719 3.312 20 0 FGADHM O=S(=O)([N-]CC1(c2cccc(F)c2F)CCCC1)c1ccccn1 ZINC000494415474 503538724 /nfs/dbraw/zinc/53/87/24/503538724.db2.gz YQEJQLXRYKAXCR-UHFFFAOYSA-N -1 3 352.406 3.150 20 0 FGADHM O=C(Nc1ccc(OCC(F)(F)F)c(F)c1)c1cc(F)cc2[n-]nnc21 ZINC000504262408 503544792 /nfs/dbraw/zinc/54/47/92/503544792.db2.gz VTHSJRNHUHBOME-UHFFFAOYSA-N -1 3 372.253 3.430 20 0 FGADHM O=C(Nc1ccc(OCC(F)(F)F)c(F)c1)c1cc(F)cc2nn[n-]c21 ZINC000504262408 503544796 /nfs/dbraw/zinc/54/47/96/503544796.db2.gz VTHSJRNHUHBOME-UHFFFAOYSA-N -1 3 372.253 3.430 20 0 FGADHM O=C(Nc1ccc(OCC(F)(F)F)c(F)c1)c1cc(F)cc2n[n-]nc21 ZINC000504262408 503544799 /nfs/dbraw/zinc/54/47/99/503544799.db2.gz VTHSJRNHUHBOME-UHFFFAOYSA-N -1 3 372.253 3.430 20 0 FGADHM C[C@@]1(C[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CCOC1 ZINC000500100766 503553957 /nfs/dbraw/zinc/55/39/57/503553957.db2.gz UJOKVXGNEUPWBX-LBPRGKRZSA-N -1 3 357.781 3.064 20 0 FGADHM CC[C@H](CC(=O)Nc1cccc([C@]2(C)NC(=O)[N-]C2=O)c1)c1ccccc1 ZINC000504329954 503557286 /nfs/dbraw/zinc/55/72/86/503557286.db2.gz WMJFYRYLONGSHY-SZNDQCEHSA-N -1 3 365.433 3.264 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)NC(C)(C)COCc2ccccc2)c1 ZINC000504479847 503578696 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Cc1cccc(C(=O)N=c2cc(OC(F)F)n(C)[n-]2)c1Br ZINC000490993226 515353008 /nfs/dbraw/zinc/35/30/08/515353008.db2.gz XJAWKXJQKSPNKE-UHFFFAOYSA-N -1 3 360.158 3.345 20 0 FGADHM Cn1[n-]c(=NC(=O)CSc2ccc3c(c2)CCC3)cc1OC(F)F ZINC000491054657 515364223 /nfs/dbraw/zinc/36/42/23/515364223.db2.gz VIPKMXJUENEYLD-UHFFFAOYSA-N -1 3 353.394 3.241 20 0 FGADHM Cc1oc2ccc(NC(=O)C(=O)N=c3cc([C@@H]4CCCO4)[n-][nH]3)cc2c1C ZINC000473000294 515472346 /nfs/dbraw/zinc/47/23/46/515472346.db2.gz MKTXRRQXVBMQND-INIZCTEOSA-N -1 3 368.393 3.201 20 0 FGADHM CSCCCCNC(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482073338 515566271 /nfs/dbraw/zinc/56/62/71/515566271.db2.gz JRCFZDYYGHPERZ-UHFFFAOYSA-N -1 3 357.277 3.362 20 0 FGADHM Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1csc(=NC2CC2)[n-]1)N(C)C ZINC000510541446 515576905 /nfs/dbraw/zinc/57/69/05/515576905.db2.gz RYRWSFAHQCDLNX-SUMWQHHRSA-N -1 3 358.511 3.447 20 0 FGADHM CC[C@@H](CSC)NC(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482197970 515603776 /nfs/dbraw/zinc/60/37/76/515603776.db2.gz GGVDJZKZPJFOKL-JTQLQIEISA-N -1 3 357.277 3.360 20 0 FGADHM CCc1[n-][nH]c(=NC(=O)[C@@H](C)NC(C)(C)CC)c1-c1ccc2c(c1)OCO2 ZINC000486715445 515606460 /nfs/dbraw/zinc/60/64/60/515606460.db2.gz WOIGMQWBKWWCMF-GFCCVEGCSA-N -1 3 372.469 3.473 20 0 FGADHM O=C(N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1)c1cccc2[nH]c(=O)oc21 ZINC000505649822 515623324 /nfs/dbraw/zinc/62/33/24/515623324.db2.gz ZDUIWOJOQHKQOA-UHFFFAOYSA-N -1 3 356.288 3.454 20 0 FGADHM Cc1ccc(-c2nc(C(=O)N=c3cc([C@H]4CCCO4)[n-][nH]3)cs2)n1C ZINC000473844229 515771332 /nfs/dbraw/zinc/77/13/32/515771332.db2.gz QOUHEMNKBKXQHR-CQSZACIVSA-N -1 3 357.439 3.284 20 0 FGADHM Cc1cc(C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)c(C)n1Cc1ccccn1 ZINC000473849996 515773389 /nfs/dbraw/zinc/77/33/89/515773389.db2.gz MKSVGYQCIOWYJT-SFHVURJKSA-N -1 3 365.437 3.375 20 0 FGADHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000473854945 515777891 /nfs/dbraw/zinc/77/78/91/515777891.db2.gz HQODLVLURAGFNC-CRAIPNDOSA-N -1 3 372.444 3.251 20 0 FGADHM O=C(Cn1ncc2ccccc21)N=c1cc2ccc(Br)cn2[n-]1 ZINC000511321408 515863626 /nfs/dbraw/zinc/86/36/26/515863626.db2.gz OVVSMWJHIJSYIR-UHFFFAOYSA-N -1 3 370.210 3.085 20 0 FGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)[C@@H]1CC(=O)c2ccccc21 ZINC000511355681 515874479 /nfs/dbraw/zinc/87/44/79/515874479.db2.gz RVLWTXMBEPQISC-CQSZACIVSA-N -1 3 370.206 3.406 20 0 FGADHM CCCC[C@H](C)C(=O)N=c1[nH][n-]cc1C(=O)NCc1ccc(OC)cc1 ZINC000507014303 516054963 /nfs/dbraw/zinc/05/49/63/516054963.db2.gz HUCUAIMAXMQXKX-ZDUSSCGKSA-N -1 3 358.442 3.113 20 0 FGADHM Cn1[n-]c(=NC(=O)c2cccc(F)c2Br)cc1OC(F)F ZINC000501526921 516141022 /nfs/dbraw/zinc/14/10/22/516141022.db2.gz DJMABWVBJTTYOW-UHFFFAOYSA-N -1 3 364.121 3.175 20 0 FGADHM O=C(N=c1cc(-c2ccncc2)[n-][nH]1)c1csc(-c2ncccc2F)n1 ZINC000507289325 516157815 /nfs/dbraw/zinc/15/78/15/516157815.db2.gz LBKMBFNIODEEAK-UHFFFAOYSA-N -1 3 366.381 3.382 20 0 FGADHM C[C@@H]1CCCCN1CCNC(=O)N=c1[n-]nc(/C=C\c2ccco2)s1 ZINC000484052276 516287853 /nfs/dbraw/zinc/28/78/53/516287853.db2.gz XPZAENVPYKDXSE-MEJMFZKBSA-N -1 3 361.471 3.297 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(NCCc3nnc(C(C)C)s3)nc2)n1 ZINC000488734742 516296698 /nfs/dbraw/zinc/29/66/98/516296698.db2.gz NQAQTVGLMAARFZ-UHFFFAOYSA-N -1 3 370.482 3.436 20 0 FGADHM CC1CCN([C@H](CN=c2ccc(C(=O)N(C)C)n[n-]2)c2cccs2)CC1 ZINC000517529188 516352073 /nfs/dbraw/zinc/35/20/73/516352073.db2.gz JZFOEQKHHVCJJO-MRXNPFEDSA-N -1 3 373.526 3.125 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)C(=O)c2cnn(-c3ccccc3)c2)c1-c1ccccc1 ZINC000523671590 516539569 /nfs/dbraw/zinc/53/95/69/516539569.db2.gz BNRAKJGKOGOCCM-UHFFFAOYSA-N -1 3 371.400 3.392 20 0 FGADHM Cc1cc(C)cc(-c2cc(=NC(=O)[C@@H](C)NC(=O)C3CCCC3)[nH][n-]2)c1 ZINC000523944732 516616253 /nfs/dbraw/zinc/61/62/53/516616253.db2.gz MDAOAEYSHDSXIV-CQSZACIVSA-N -1 3 354.454 3.327 20 0 FGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)c1cc(Cl)ccn1 ZINC000513752410 516740200 /nfs/dbraw/zinc/74/02/00/516740200.db2.gz SIEJIVGSSLFEOK-UHFFFAOYSA-N -1 3 351.591 3.398 20 0 FGADHM CCC(C)(C)N[C@H](C)C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000513747107 516739512 /nfs/dbraw/zinc/73/95/12/516739512.db2.gz JSDCKJQYFNCVIT-SNVBAGLBSA-N -1 3 353.264 3.202 20 0 FGADHM CN(C)[C@@H](CNC(=O)c1csc(=NC2CC2)[n-]1)c1ccc(Cl)cc1 ZINC000532029036 516765828 /nfs/dbraw/zinc/76/58/28/516765828.db2.gz GICCXSBOXBAIBO-HNNXBMFYSA-N -1 3 364.902 3.404 20 0 FGADHM O=C(N=c1[n-]nc(-c2ccco2)s1)NC[C@H]1CCN1C1CCCCC1 ZINC000528925810 516802613 /nfs/dbraw/zinc/80/26/13/516802613.db2.gz YGNZRXAXPCRZGD-CYBMUJFWSA-N -1 3 361.471 3.327 20 0 FGADHM COc1ccc2cc(C(=O)N=c3cc([C@@H]4CCCO4)[n-][nH]3)c(C)nc2c1 ZINC000526960102 517411622 /nfs/dbraw/zinc/41/16/22/517411622.db2.gz OWOWBHAGZQLTTJ-KRWDZBQOSA-N -1 3 352.394 3.379 20 0 FGADHM Cc1cc(C)c(-c2cc(=NC(=O)c3ccc4c(c3)C(=O)[N-]C4=O)[nH][nH]2)cc1C ZINC000520568295 517436686 /nfs/dbraw/zinc/43/66/86/517436686.db2.gz IKESPNGHNJTDMU-UHFFFAOYSA-N -1 3 374.400 3.138 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@H]2CCn3c(C)ncc3C2)c1-c1ccccc1F ZINC000530275668 517674390 /nfs/dbraw/zinc/67/43/90/517674390.db2.gz MFHDILQTHLDWOL-ZDUSSCGKSA-N -1 3 353.401 3.230 20 0 FGADHM COc1cc(Br)ccc1C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000527500928 517712758 /nfs/dbraw/zinc/71/27/58/517712758.db2.gz RZIQAGSXZDZNCN-GFCCVEGCSA-N -1 3 366.215 3.285 20 0 FGADHM O=C(N=c1cc(-c2ccccc2)[n-][nH]1)C1CCC(NC(=O)C2CC2)CC1 ZINC000530422047 517765944 /nfs/dbraw/zinc/76/59/44/517765944.db2.gz LKHDCABNRUBTCL-UHFFFAOYSA-N -1 3 352.438 3.100 20 0 FGADHM CCCCc1n[n-]c(=NC(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)s1 ZINC000530461639 517790074 /nfs/dbraw/zinc/79/00/74/517790074.db2.gz ZILRGLGDSBMWDN-GOEBONIOSA-N -1 3 359.499 3.448 20 0 FGADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)[C@H]2CC23CCOCC3)[nH][n-]1 ZINC000530897089 518039837 /nfs/dbraw/zinc/03/98/37/518039837.db2.gz KEICGVXLRNWLJY-CYBMUJFWSA-N -1 3 361.829 3.494 20 0 FGADHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)C1(Cc2ccccc2)CCOCC1 ZINC000616823331 520162463 /nfs/dbraw/zinc/16/24/63/520162463.db2.gz LFHVZUKMLVIMPB-KRWDZBQOSA-N -1 3 355.438 3.239 20 0 FGADHM COc1cccc(-c2c(C)[n-][nH]c2=NC(=O)[C@H](C)C(=O)OC(C)(C)C)c1 ZINC000600772766 520460280 /nfs/dbraw/zinc/46/02/80/520460280.db2.gz POLKMFXNKDWKMH-NSHDSACASA-N -1 3 359.426 3.310 20 0 FGADHM CCc1cc([N-]C(=O)c2sc3nc4n(c(=O)c3c2C)CCCCC4)no1 ZINC000606887274 521194030 /nfs/dbraw/zinc/19/40/30/521194030.db2.gz GHUFXZFBAKGDGW-UHFFFAOYSA-N -1 3 372.450 3.296 20 0 FGADHM CCC[C@H]1CCC[C@@H]1C(=O)N=c1[n-]n(C)cc1I ZINC000602389208 521315298 /nfs/dbraw/zinc/31/52/98/521315298.db2.gz DWJQGDAJAKZLLX-UWVGGRQHSA-N -1 3 361.227 3.180 20 0 FGADHM COc1ccccc1-c1cc(=NC(=O)C(=O)c2ccc3c(c2)CCC3)[nH][n-]1 ZINC000623230397 521872292 /nfs/dbraw/zinc/87/22/92/521872292.db2.gz VVUCVZVYIFPISR-UHFFFAOYSA-N -1 3 361.401 3.395 20 0 FGADHM COc1cccc(-c2c(C)[n-][nH]c2=NC(=O)[C@H]2CCc3cnc(C)n3C2)c1 ZINC000629692884 522396779 /nfs/dbraw/zinc/39/67/79/522396779.db2.gz ULRWCDLLNXJDLQ-HNNXBMFYSA-N -1 3 365.437 3.100 20 0 FGADHM COc1cccc(-c2c(C)[n-][nH]c2=NC(=O)[C@H]2CCC(=O)c3cccn32)c1 ZINC000629694681 522399752 /nfs/dbraw/zinc/39/97/52/522399752.db2.gz ATJUKRMKTLGJIC-MRXNPFEDSA-N -1 3 364.405 3.352 20 0 FGADHM CC(=O)Nc1nc(C(=O)N=c2cc(-c3cccc(Cl)c3)[n-][nH]2)cs1 ZINC000622891075 523532156 /nfs/dbraw/zinc/53/21/56/523532156.db2.gz DRRVDUIKWGAHIV-UHFFFAOYSA-N -1 3 361.814 3.397 20 0 FGADHM COCCC(C)(C)NC(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482077302 561248109 /nfs/dbraw/zinc/24/81/09/561248109.db2.gz FACPKDUQUDGGSW-UHFFFAOYSA-N -1 3 355.236 3.033 20 0 FGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)[C@H]1Cc2ccccc2O1 ZINC000511305315 561864565 /nfs/dbraw/zinc/86/45/65/561864565.db2.gz YSRUWDIVQUAJOU-CQSZACIVSA-N -1 3 358.195 3.039 20 0 FGADHM COc1ccc([O-])c(C(=O)NCCCNc2ccc(C(F)(F)F)cn2)c1 ZINC000515132469 561997505 /nfs/dbraw/zinc/99/75/05/561997505.db2.gz RFIZEYXQZIBIFF-UHFFFAOYSA-N -1 3 369.343 3.047 20 0 FGADHM Cc1ccc(C(=O)N=c2cc(-c3ccccc3)[n-][nH]2)cc1S(C)(=O)=O ZINC000520632861 562160681 /nfs/dbraw/zinc/16/06/81/562160681.db2.gz CAXITJYVDQUVED-UHFFFAOYSA-N -1 3 355.419 3.041 20 0 FGADHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)[C@H]1CCCN1Cc1ccc(F)cc1 ZINC000526959373 562270755 /nfs/dbraw/zinc/27/07/55/562270755.db2.gz LLHSZFJIDUBYQU-SJORKVTESA-N -1 3 358.417 3.003 20 0 FGADHM COCCOc1cccc(CCC(=O)N=c2cc(-c3cccnc3)[n-][nH]2)c1 ZINC000476962678 561132951 /nfs/dbraw/zinc/13/29/51/561132951.db2.gz VSEFDLAWWSZALR-UHFFFAOYSA-N -1 3 366.421 3.068 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@H]2CCc3cnn(C)c3C2)c1-c1ccccc1F ZINC000530277189 562404943 /nfs/dbraw/zinc/40/49/43/562404943.db2.gz ZQTIKDSBMFLCGL-LBPRGKRZSA-N -1 3 353.401 3.001 20 0 FGADHM COc1cccc([C@H](CNC(=O)N=c2cc(C)c(C)n[n-]2)N2CCCC2)c1 ZINC000531560210 562450037 /nfs/dbraw/zinc/45/00/37/562450037.db2.gz UBVFSGHZRXUFGL-SFHVURJKSA-N -1 3 369.469 3.061 20 0 FGADHM Cc1nc(-c2ccc(NC(=O)NCC3(O)CCCCCC3)cc2)cc(=O)[n-]1 ZINC000522755959 568038102 /nfs/dbraw/zinc/03/81/02/568038102.db2.gz DSRKMTLVRNAUHG-UHFFFAOYSA-N -1 3 370.453 3.364 20 0 FGADHM C[C@@]1(c2ccccc2)CCCN(C(=O)C=Cc2ccccc2-c2nnn[n-]2)C1 ZINC000736227426 598826990 /nfs/dbraw/zinc/82/69/90/598826990.db2.gz DGMOQQSJSCDSBY-CHHLAKQQSA-N -1 3 373.460 3.460 20 0 FGADHM C[C@@]1(c2ccccc2)CCCN(C(=O)C=Cc2ccccc2-c2nn[n-]n2)C1 ZINC000736227426 598826991 /nfs/dbraw/zinc/82/69/91/598826991.db2.gz DGMOQQSJSCDSBY-CHHLAKQQSA-N -1 3 373.460 3.460 20 0 FGADHM CCc1ocnc1C(=O)Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736713924 598827029 /nfs/dbraw/zinc/82/70/29/598827029.db2.gz QHIICGHBTYICIL-UHFFFAOYSA-N -1 3 361.361 3.303 20 0 FGADHM CCc1ocnc1C(=O)Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736713924 598827030 /nfs/dbraw/zinc/82/70/30/598827030.db2.gz QHIICGHBTYICIL-UHFFFAOYSA-N -1 3 361.361 3.303 20 0 FGADHM CC(C)[C@H](Cc1ccccc1)C(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000735710109 598830233 /nfs/dbraw/zinc/83/02/33/598830233.db2.gz MPSZTNZTKLLCDG-IBGZPJMESA-N -1 3 363.465 3.340 20 0 FGADHM CC(C)[C@H](Cc1ccccc1)C(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000735710109 598830234 /nfs/dbraw/zinc/83/02/34/598830234.db2.gz MPSZTNZTKLLCDG-IBGZPJMESA-N -1 3 363.465 3.340 20 0 FGADHM O=C(C[C@H]1CCOC1)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000737819588 598831778 /nfs/dbraw/zinc/83/17/78/598831778.db2.gz HYLQLTYYCUELPQ-CYBMUJFWSA-N -1 3 365.393 3.024 20 0 FGADHM O=C(C[C@H]1CCOC1)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000737819588 598831779 /nfs/dbraw/zinc/83/17/79/598831779.db2.gz HYLQLTYYCUELPQ-CYBMUJFWSA-N -1 3 365.393 3.024 20 0 FGADHM CSC[C@@H](C)C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000737178997 598836132 /nfs/dbraw/zinc/83/61/32/598836132.db2.gz GUYKOFBEXDALFO-LLVKDONJSA-N -1 3 373.507 3.211 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H]1CC[C@H](C)C[C@@H]1C ZINC000736637918 598850993 /nfs/dbraw/zinc/85/09/93/598850993.db2.gz UWSBKTLFRLLWES-SGMGOOAPSA-N -1 3 358.446 3.212 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@H]1CC[C@H](C)C[C@@H]1C ZINC000736637918 598850995 /nfs/dbraw/zinc/85/09/95/598850995.db2.gz UWSBKTLFRLLWES-SGMGOOAPSA-N -1 3 358.446 3.212 20 0 FGADHM O=C(Nc1cccc(OC(F)F)c1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738185813 598853705 /nfs/dbraw/zinc/85/37/05/598853705.db2.gz ISOJMKUOPJNHAI-UHFFFAOYSA-N -1 3 364.287 3.251 20 0 FGADHM O=C(Nc1cccc(OC(F)F)c1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738185813 598853707 /nfs/dbraw/zinc/85/37/07/598853707.db2.gz ISOJMKUOPJNHAI-UHFFFAOYSA-N -1 3 364.287 3.251 20 0 FGADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)c1nc(Cc2ccc(F)cc2)no1 ZINC000736188086 598859082 /nfs/dbraw/zinc/85/90/82/598859082.db2.gz LDBZKBPKTRVURR-LLVKDONJSA-N -1 3 366.356 3.120 20 0 FGADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)c1nc(Cc2ccc(F)cc2)no1 ZINC000736188086 598859084 /nfs/dbraw/zinc/85/90/84/598859084.db2.gz LDBZKBPKTRVURR-LLVKDONJSA-N -1 3 366.356 3.120 20 0 FGADHM CC(=CC(=O)O[C@H](C)COc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000735446871 598888476 /nfs/dbraw/zinc/88/84/76/598888476.db2.gz HEZLWJDKEGLNGY-ATGUSINASA-N -1 3 364.405 3.281 20 0 FGADHM CC(=CC(=O)O[C@H](C)COc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000735446871 598888477 /nfs/dbraw/zinc/88/84/77/598888477.db2.gz HEZLWJDKEGLNGY-ATGUSINASA-N -1 3 364.405 3.281 20 0 FGADHM CC(C)(C)/C=C\C(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000735594886 598902723 /nfs/dbraw/zinc/90/27/23/598902723.db2.gz XFHLUVBDTUZSIV-HJWRWDBZSA-N -1 3 368.466 3.455 20 0 FGADHM CC(C)(C)/C=C\C(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000735594886 598902725 /nfs/dbraw/zinc/90/27/25/598902725.db2.gz XFHLUVBDTUZSIV-HJWRWDBZSA-N -1 3 368.466 3.455 20 0 FGADHM C[C@@H]1CCCC[C@@H]1CCNC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736264387 598907307 /nfs/dbraw/zinc/90/73/07/598907307.db2.gz VVFSAQZYYTWUNB-ZIAGYGMSSA-N -1 3 359.499 3.291 20 0 FGADHM C[C@@H]1CCCC[C@@H]1CCNC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736264387 598907309 /nfs/dbraw/zinc/90/73/09/598907309.db2.gz VVFSAQZYYTWUNB-ZIAGYGMSSA-N -1 3 359.499 3.291 20 0 FGADHM C[C@@H]1CCCCCN1C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736265889 598907505 /nfs/dbraw/zinc/90/75/05/598907505.db2.gz DTJOVMSQLYVCTJ-OAHLLOKOSA-N -1 3 357.458 3.207 20 0 FGADHM C[C@@H]1CCCCCN1C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736265889 598907506 /nfs/dbraw/zinc/90/75/06/598907506.db2.gz DTJOVMSQLYVCTJ-OAHLLOKOSA-N -1 3 357.458 3.207 20 0 FGADHM CSc1ccc(O[C@@H](C)C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)cc1 ZINC000737190626 598912872 /nfs/dbraw/zinc/91/28/72/598912872.db2.gz OFAKKVFJTQZACS-LBPRGKRZSA-N -1 3 369.450 3.303 20 0 FGADHM CSc1ccc(O[C@@H](C)C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)cc1 ZINC000737190626 598912873 /nfs/dbraw/zinc/91/28/73/598912873.db2.gz OFAKKVFJTQZACS-LBPRGKRZSA-N -1 3 369.450 3.303 20 0 FGADHM COc1ccc(OC)c([C@H](C)Nc2ncc(-c3nnn[n-]3)cc2Cl)c1 ZINC000737107648 598936439 /nfs/dbraw/zinc/93/64/39/598936439.db2.gz FGAJDNJECSMHEM-VIFPVBQESA-N -1 3 360.805 3.105 20 0 FGADHM COc1ccc(OC)c([C@H](C)Nc2ncc(-c3nn[n-]n3)cc2Cl)c1 ZINC000737107648 598936440 /nfs/dbraw/zinc/93/64/40/598936440.db2.gz FGAJDNJECSMHEM-VIFPVBQESA-N -1 3 360.805 3.105 20 0 FGADHM O[C@@H](CNc1cc(-c2nnn[n-]2)c2ccccc2n1)c1ccccc1Cl ZINC000738383017 598974752 /nfs/dbraw/zinc/97/47/52/598974752.db2.gz MVWYZECPQLFKIG-INIZCTEOSA-N -1 3 366.812 3.214 20 0 FGADHM O[C@@H](CNc1cc(-c2nn[n-]n2)c2ccccc2n1)c1ccccc1Cl ZINC000738383017 598974753 /nfs/dbraw/zinc/97/47/53/598974753.db2.gz MVWYZECPQLFKIG-INIZCTEOSA-N -1 3 366.812 3.214 20 0 FGADHM C[C@](O)(CNc1ccc(-c2nn[n-]n2)cc1C(F)(F)F)c1ccsc1 ZINC000736140710 598976656 /nfs/dbraw/zinc/97/66/56/598976656.db2.gz AKSVSJSIJRYTDP-AWEZNQCLSA-N -1 3 369.372 3.267 20 0 FGADHM COc1ccc(-c2cnc(CNc3cccc(-c4nnn[n-]4)c3C)o2)cc1 ZINC000821732859 607256370 /nfs/dbraw/zinc/25/63/70/607256370.db2.gz VUOFCSSQIXLHCP-UHFFFAOYSA-N -1 3 362.393 3.451 20 0 FGADHM COc1ccc(-c2cnc(CNc3cccc(-c4nn[n-]n4)c3C)o2)cc1 ZINC000821732859 607256371 /nfs/dbraw/zinc/25/63/71/607256371.db2.gz VUOFCSSQIXLHCP-UHFFFAOYSA-N -1 3 362.393 3.451 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)NC1(c2cccc(Cl)c2)CC1 ZINC000738152309 599012953 /nfs/dbraw/zinc/01/29/53/599012953.db2.gz ULYPFLFGKSWTQT-UHFFFAOYSA-N -1 3 354.801 3.331 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)NC1(c2cccc(Cl)c2)CC1 ZINC000738152309 599012955 /nfs/dbraw/zinc/01/29/55/599012955.db2.gz ULYPFLFGKSWTQT-UHFFFAOYSA-N -1 3 354.801 3.331 20 0 FGADHM C[C@@H]1CCC[C@H](CCNC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736253264 599016749 /nfs/dbraw/zinc/01/67/49/599016749.db2.gz UFPBBVIZXDCDLV-HUUCEWRRSA-N -1 3 373.526 3.433 20 0 FGADHM C[C@@H]1CCC[C@H](CCNC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736253264 599016751 /nfs/dbraw/zinc/01/67/51/599016751.db2.gz UFPBBVIZXDCDLV-HUUCEWRRSA-N -1 3 373.526 3.433 20 0 FGADHM CCc1ccc2c(CNc3cccc(-c4nnn[n-]4)c3C)cc(=O)oc2c1 ZINC000821486797 607257148 /nfs/dbraw/zinc/25/71/48/607257148.db2.gz LYWOBTLJFLHRNB-UHFFFAOYSA-N -1 3 361.405 3.456 20 0 FGADHM CCc1ccc2c(CNc3cccc(-c4nn[n-]n4)c3C)cc(=O)oc2c1 ZINC000821486797 607257149 /nfs/dbraw/zinc/25/71/49/607257149.db2.gz LYWOBTLJFLHRNB-UHFFFAOYSA-N -1 3 361.405 3.456 20 0 FGADHM CCC(CC)c1cc(CNc2nc3c(cc2-c2nnn[n-]2)CCC3)on1 ZINC000820897647 599045718 /nfs/dbraw/zinc/04/57/18/599045718.db2.gz KHVCECPKCLQTHW-UHFFFAOYSA-N -1 3 353.430 3.254 20 0 FGADHM CCC(CC)c1cc(CNc2nc3c(cc2-c2nn[n-]n2)CCC3)on1 ZINC000820897647 599045719 /nfs/dbraw/zinc/04/57/19/599045719.db2.gz KHVCECPKCLQTHW-UHFFFAOYSA-N -1 3 353.430 3.254 20 0 FGADHM COc1cccc([C@@H](C)Nc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)c1 ZINC000737124912 599046859 /nfs/dbraw/zinc/04/68/59/599046859.db2.gz FLOYSFGCEQWUBR-SECBINFHSA-N -1 3 364.331 3.462 20 0 FGADHM COc1cccc([C@@H](C)Nc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)c1 ZINC000737124912 599046862 /nfs/dbraw/zinc/04/68/62/599046862.db2.gz FLOYSFGCEQWUBR-SECBINFHSA-N -1 3 364.331 3.462 20 0 FGADHM C[C@@H](COc1ccccc1)Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000736040127 599049144 /nfs/dbraw/zinc/04/91/44/599049144.db2.gz MZJSRPRNGKQTNA-JTQLQIEISA-N -1 3 364.331 3.160 20 0 FGADHM C[C@@H](COc1ccccc1)Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000736040127 599049147 /nfs/dbraw/zinc/04/91/47/599049147.db2.gz MZJSRPRNGKQTNA-JTQLQIEISA-N -1 3 364.331 3.160 20 0 FGADHM COc1cc(CNc2ccc(-c3nn[n-]n3)cc2F)c2ccccc2n1 ZINC000821717771 599062231 /nfs/dbraw/zinc/06/22/31/599062231.db2.gz XZGGTZAKIIZOFI-UHFFFAOYSA-N -1 3 350.357 3.175 20 0 FGADHM Fc1ccc(-c2nnn[n-]2)cc1CNc1ncnc2c3ccccc3oc21 ZINC000822762021 599070225 /nfs/dbraw/zinc/07/02/25/599070225.db2.gz XPQIBRWZMYDYRG-UHFFFAOYSA-N -1 3 361.340 3.307 20 0 FGADHM Fc1ccc(-c2nn[n-]n2)cc1CNc1ncnc2c3ccccc3oc21 ZINC000822762021 599070228 /nfs/dbraw/zinc/07/02/28/599070228.db2.gz XPQIBRWZMYDYRG-UHFFFAOYSA-N -1 3 361.340 3.307 20 0 FGADHM Fc1ccc(-c2nnn[n-]2)cc1CNc1ncnc2cc(Cl)ccc21 ZINC000822761686 599070627 /nfs/dbraw/zinc/07/06/27/599070627.db2.gz QYXVHXMBZRLESU-UHFFFAOYSA-N -1 3 355.764 3.215 20 0 FGADHM Fc1ccc(-c2nn[n-]n2)cc1CNc1ncnc2cc(Cl)ccc21 ZINC000822761686 599070630 /nfs/dbraw/zinc/07/06/30/599070630.db2.gz QYXVHXMBZRLESU-UHFFFAOYSA-N -1 3 355.764 3.215 20 0 FGADHM CCO[C@@H](C)c1nc(CN(C)c2ccc(F)cc2-c2nnn[n-]2)cs1 ZINC000821347495 599071763 /nfs/dbraw/zinc/07/17/63/599071763.db2.gz WARWESFWHSHTJA-JTQLQIEISA-N -1 3 362.434 3.196 20 0 FGADHM CCO[C@@H](C)c1nc(CN(C)c2ccc(F)cc2-c2nn[n-]n2)cs1 ZINC000821347495 599071767 /nfs/dbraw/zinc/07/17/67/599071767.db2.gz WARWESFWHSHTJA-JTQLQIEISA-N -1 3 362.434 3.196 20 0 FGADHM C[C@@H]1CN(c2c(-c3nnn[n-]3)cnc3c(F)ccc(F)c32)C[C@H](C)S1 ZINC000820766195 599073623 /nfs/dbraw/zinc/07/36/23/599073623.db2.gz AMVGWFZDUWWEOS-DTORHVGOSA-N -1 3 362.409 3.023 20 0 FGADHM C[C@@H]1CN(c2c(-c3nn[n-]n3)cnc3c(F)ccc(F)c32)C[C@H](C)S1 ZINC000820766195 599073626 /nfs/dbraw/zinc/07/36/26/599073626.db2.gz AMVGWFZDUWWEOS-DTORHVGOSA-N -1 3 362.409 3.023 20 0 FGADHM CCCCCc1ccc(N[C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736451012 599086330 /nfs/dbraw/zinc/08/63/30/599086330.db2.gz FGSIOSWRSVQFDR-GOSISDBHSA-N -1 3 364.453 3.238 20 0 FGADHM CCCCCc1ccc(N[C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736451012 599086333 /nfs/dbraw/zinc/08/63/33/599086333.db2.gz FGSIOSWRSVQFDR-GOSISDBHSA-N -1 3 364.453 3.238 20 0 FGADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N(C)CCc1cccs1 ZINC000822332810 599088025 /nfs/dbraw/zinc/08/80/25/599088025.db2.gz UBTCBCUNZFUDRN-UHFFFAOYSA-N -1 3 350.451 3.464 20 0 FGADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N(C)CCc1cccs1 ZINC000822332810 599088026 /nfs/dbraw/zinc/08/80/26/599088026.db2.gz UBTCBCUNZFUDRN-UHFFFAOYSA-N -1 3 350.451 3.464 20 0 FGADHM CC[C@](C)(NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1nc(C)cs1 ZINC000736313754 599088291 /nfs/dbraw/zinc/08/82/91/599088291.db2.gz JLJYWACRFCJHNO-LPADLIQXSA-N -1 3 368.466 3.086 20 0 FGADHM CC[C@](C)(NC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1nc(C)cs1 ZINC000736313754 599088293 /nfs/dbraw/zinc/08/82/93/599088293.db2.gz JLJYWACRFCJHNO-LPADLIQXSA-N -1 3 368.466 3.086 20 0 FGADHM C[C@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)Oc1ccc(Cl)cc1 ZINC000820280974 599089351 /nfs/dbraw/zinc/08/93/51/599089351.db2.gz QLFHSXSCOLQLPG-SECBINFHSA-N -1 3 365.224 3.448 20 0 FGADHM C[C@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)Oc1ccc(Cl)cc1 ZINC000820280974 599089354 /nfs/dbraw/zinc/08/93/54/599089354.db2.gz QLFHSXSCOLQLPG-SECBINFHSA-N -1 3 365.224 3.448 20 0 FGADHM CO[C@H](CNc1nc(C)cc(C)c1-c1nnn[n-]1)c1cccc(Cl)c1 ZINC000821677998 599090597 /nfs/dbraw/zinc/09/05/97/599090597.db2.gz HZFYENTUBMUPJS-CQSZACIVSA-N -1 3 358.833 3.332 20 0 FGADHM CO[C@H](CNc1nc(C)cc(C)c1-c1nn[n-]n1)c1cccc(Cl)c1 ZINC000821677998 599090598 /nfs/dbraw/zinc/09/05/98/599090598.db2.gz HZFYENTUBMUPJS-CQSZACIVSA-N -1 3 358.833 3.332 20 0 FGADHM CCO[C@@H]1C[C@H](N(C)C(=O)c2cccc(-c3nnn[n-]3)c2)C12CCCCC2 ZINC000736616360 599097358 /nfs/dbraw/zinc/09/73/58/599097358.db2.gz NZFSXQXQBRJCDE-DLBZAZTESA-N -1 3 369.469 3.067 20 0 FGADHM CCO[C@@H]1C[C@H](N(C)C(=O)c2cccc(-c3nn[n-]n3)c2)C12CCCCC2 ZINC000736616360 599097361 /nfs/dbraw/zinc/09/73/61/599097361.db2.gz NZFSXQXQBRJCDE-DLBZAZTESA-N -1 3 369.469 3.067 20 0 FGADHM Cc1ccc([C@@H]2OCCC[C@@H]2CNc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000822233777 599108798 /nfs/dbraw/zinc/10/87/98/599108798.db2.gz UXDUAXKDPNPDKU-QAPCUYQASA-N -1 3 350.426 3.150 20 0 FGADHM Cc1ccc([C@@H]2OCCC[C@@H]2CNc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000822233777 599108800 /nfs/dbraw/zinc/10/88/00/599108800.db2.gz UXDUAXKDPNPDKU-QAPCUYQASA-N -1 3 350.426 3.150 20 0 FGADHM O[C@H](C[C@@H]1CCCN1c1c(F)cc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000823674934 599109201 /nfs/dbraw/zinc/10/92/01/599109201.db2.gz UFBJTRBLOLCXSL-WMLDXEAASA-N -1 3 371.391 3.237 20 0 FGADHM O[C@H](C[C@@H]1CCCN1c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000823674934 599109204 /nfs/dbraw/zinc/10/92/04/599109204.db2.gz UFBJTRBLOLCXSL-WMLDXEAASA-N -1 3 371.391 3.237 20 0 FGADHM O[C@@H](C[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000823675188 599109623 /nfs/dbraw/zinc/10/96/23/599109623.db2.gz VKDVCANUBQPEPV-QAPCUYQASA-N -1 3 353.401 3.098 20 0 FGADHM CCN(Cc1ccccc1)C(=O)[C@@H](C)Sc1ccccc1-c1nnn[n-]1 ZINC000736558508 599110362 /nfs/dbraw/zinc/11/03/62/599110362.db2.gz NFOYMZBPNAQSQA-CQSZACIVSA-N -1 3 367.478 3.396 20 0 FGADHM CCN(Cc1ccccc1)C(=O)[C@@H](C)Sc1ccccc1-c1nn[n-]n1 ZINC000736558508 599110364 /nfs/dbraw/zinc/11/03/64/599110364.db2.gz NFOYMZBPNAQSQA-CQSZACIVSA-N -1 3 367.478 3.396 20 0 FGADHM COC(=O)[C@H](Sc1nc2ccccc2o1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736902995 599111894 /nfs/dbraw/zinc/11/18/94/599111894.db2.gz XGAWYNZWJUOXKO-CQSZACIVSA-N -1 3 367.390 3.014 20 0 FGADHM COC(=O)[C@H](Sc1nc2ccccc2o1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736902995 599111896 /nfs/dbraw/zinc/11/18/96/599111896.db2.gz XGAWYNZWJUOXKO-CQSZACIVSA-N -1 3 367.390 3.014 20 0 FGADHM O=C(NC1CC1)[C@H](Sc1ccccc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000738018614 599112150 /nfs/dbraw/zinc/11/21/50/599112150.db2.gz BWWXPGFIOQSCQV-MRXNPFEDSA-N -1 3 369.425 3.118 20 0 FGADHM O=C(NC1CC1)[C@H](Sc1ccccc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000738018614 599112151 /nfs/dbraw/zinc/11/21/51/599112151.db2.gz BWWXPGFIOQSCQV-MRXNPFEDSA-N -1 3 369.425 3.118 20 0 FGADHM C/C=C\COC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000736302217 599129279 /nfs/dbraw/zinc/12/92/79/599129279.db2.gz FMMHJFRJOSMBJH-IHWYPQMZSA-N -1 3 350.378 3.179 20 0 FGADHM C/C=C\COC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000736302217 599129282 /nfs/dbraw/zinc/12/92/82/599129282.db2.gz FMMHJFRJOSMBJH-IHWYPQMZSA-N -1 3 350.378 3.179 20 0 FGADHM C/C=C/COC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736304716 599129500 /nfs/dbraw/zinc/12/95/00/599129500.db2.gz QOZHUGFJQVBECM-NSCUHMNNSA-N -1 3 350.378 3.179 20 0 FGADHM C[C@H]1CN(Cc2cc(-c3nnn[n-]3)ccc2F)C[C@@H](c2ccc(F)cc2)O1 ZINC000736288169 599140991 /nfs/dbraw/zinc/14/09/91/599140991.db2.gz RNQLRAMHEJKUOC-SGTLLEGYSA-N -1 3 371.391 3.107 20 0 FGADHM C[C@H]1CN(Cc2cc(-c3nn[n-]n3)ccc2F)C[C@@H](c2ccc(F)cc2)O1 ZINC000736288169 599140993 /nfs/dbraw/zinc/14/09/93/599140993.db2.gz RNQLRAMHEJKUOC-SGTLLEGYSA-N -1 3 371.391 3.107 20 0 FGADHM C[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)cc2F)C[C@@H](c2ccc(F)cc2)O1 ZINC000736288058 599141203 /nfs/dbraw/zinc/14/12/03/599141203.db2.gz QKQFGQVNHNSCMA-XIKOKIGWSA-N -1 3 371.391 3.107 20 0 FGADHM C[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)cc2F)C[C@@H](c2ccc(F)cc2)O1 ZINC000736288058 599141206 /nfs/dbraw/zinc/14/12/06/599141206.db2.gz QKQFGQVNHNSCMA-XIKOKIGWSA-N -1 3 371.391 3.107 20 0 FGADHM C[C@@H](CCc1ccccc1F)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820254868 599150725 /nfs/dbraw/zinc/15/07/25/599150725.db2.gz YSBYAXVJINLFHG-NSHDSACASA-N -1 3 357.364 3.352 20 0 FGADHM C[C@@H](CCc1ccccc1F)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820254868 599150727 /nfs/dbraw/zinc/15/07/27/599150727.db2.gz YSBYAXVJINLFHG-NSHDSACASA-N -1 3 357.364 3.352 20 0 FGADHM COc1ccc(-c2nc3cc(C(F)(F)F)ccc3[nH]2)cc1-c1nn[n-]n1 ZINC000821731358 599155965 /nfs/dbraw/zinc/15/59/65/599155965.db2.gz BCSBXSHUQZBVGQ-UHFFFAOYSA-N -1 3 360.299 3.437 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OCc1ncc(-c2ccccc2C)o1 ZINC000737031459 599156898 /nfs/dbraw/zinc/15/68/98/599156898.db2.gz FLQAKSXCYROWHF-UHFFFAOYSA-N -1 3 363.377 3.418 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OCc1ncc(-c2ccccc2C)o1 ZINC000737031459 599156902 /nfs/dbraw/zinc/15/69/02/599156902.db2.gz FLQAKSXCYROWHF-UHFFFAOYSA-N -1 3 363.377 3.418 20 0 FGADHM C[C@@H](NCc1ccc(-c2nnn[n-]2)cc1)c1nc(C2CCCCC2)no1 ZINC000820427565 599157850 /nfs/dbraw/zinc/15/78/50/599157850.db2.gz SXZDMZWQFJQNJH-GFCCVEGCSA-N -1 3 353.430 3.148 20 0 FGADHM C[C@@H](NCc1ccc(-c2nn[n-]n2)cc1)c1nc(C2CCCCC2)no1 ZINC000820427565 599157853 /nfs/dbraw/zinc/15/78/53/599157853.db2.gz SXZDMZWQFJQNJH-GFCCVEGCSA-N -1 3 353.430 3.148 20 0 FGADHM Cc1cc(OCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)ccc1Cl ZINC000737278669 599159053 /nfs/dbraw/zinc/15/90/53/599159053.db2.gz CMJCMJKLNBZEQV-UHFFFAOYSA-N -1 3 368.784 3.458 20 0 FGADHM Cc1cc(OCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)ccc1Cl ZINC000737278669 599159055 /nfs/dbraw/zinc/15/90/55/599159055.db2.gz CMJCMJKLNBZEQV-UHFFFAOYSA-N -1 3 368.784 3.458 20 0 FGADHM CC[C@H](C)C[C@@H](C)NC(=O)c1cc(C2CC2)nc(SC)c1-c1nnn[n-]1 ZINC000820870077 599160071 /nfs/dbraw/zinc/16/00/71/599160071.db2.gz MOLJGTZZRNBPEM-WDEREUQCSA-N -1 3 374.514 3.416 20 0 FGADHM Fc1cccc(-c2nnc(CSc3ccc(-c4nnn[n-]4)cc3)o2)c1 ZINC000737665801 599164615 /nfs/dbraw/zinc/16/46/15/599164615.db2.gz JCNYFOYJROTEDC-UHFFFAOYSA-N -1 3 354.370 3.348 20 0 FGADHM Fc1cccc(-c2nnc(CSc3ccc(-c4nn[n-]n4)cc3)o2)c1 ZINC000737665801 599164617 /nfs/dbraw/zinc/16/46/17/599164617.db2.gz JCNYFOYJROTEDC-UHFFFAOYSA-N -1 3 354.370 3.348 20 0 FGADHM Cc1ccc(CNC(=O)[C@H](C)Sc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000737340618 599169226 /nfs/dbraw/zinc/16/92/26/599169226.db2.gz AJMBMUGRBSOYBT-LBPRGKRZSA-N -1 3 371.441 3.111 20 0 FGADHM Cc1ccc(CNC(=O)[C@H](C)Sc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000737340618 599169228 /nfs/dbraw/zinc/16/92/28/599169228.db2.gz AJMBMUGRBSOYBT-LBPRGKRZSA-N -1 3 371.441 3.111 20 0 FGADHM C[C@@H](C(=O)NCc1cc(-c2nnn[n-]2)ccc1F)c1cccc(Cl)c1 ZINC000819868551 599171177 /nfs/dbraw/zinc/17/11/77/599171177.db2.gz ZQNZZNRITJJOSV-SNVBAGLBSA-N -1 3 359.792 3.079 20 0 FGADHM C[C@@H](C(=O)NCc1cc(-c2nn[n-]n2)ccc1F)c1cccc(Cl)c1 ZINC000819868551 599171181 /nfs/dbraw/zinc/17/11/81/599171181.db2.gz ZQNZZNRITJJOSV-SNVBAGLBSA-N -1 3 359.792 3.079 20 0 FGADHM CC(C)[C@H](CC(=O)NCc1cc(-c2nnn[n-]2)ccc1F)c1ccccc1 ZINC000820021741 599172662 /nfs/dbraw/zinc/17/26/62/599172662.db2.gz YEZSBNOMWHWEBJ-KRWDZBQOSA-N -1 3 367.428 3.452 20 0 FGADHM CC(C)[C@H](CC(=O)NCc1cc(-c2nn[n-]n2)ccc1F)c1ccccc1 ZINC000820021741 599172664 /nfs/dbraw/zinc/17/26/64/599172664.db2.gz YEZSBNOMWHWEBJ-KRWDZBQOSA-N -1 3 367.428 3.452 20 0 FGADHM CCCc1ncc(C(=O)N(CCC)Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000736494710 599181863 /nfs/dbraw/zinc/18/18/63/599181863.db2.gz DXHKQVYVXZAKEA-UHFFFAOYSA-N -1 3 370.482 3.328 20 0 FGADHM CCCc1ncc(C(=O)N(CCC)Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000736494710 599181865 /nfs/dbraw/zinc/18/18/65/599181865.db2.gz DXHKQVYVXZAKEA-UHFFFAOYSA-N -1 3 370.482 3.328 20 0 FGADHM O=C(C[C@H]1CCCc2ccccc21)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822945340 599184317 /nfs/dbraw/zinc/18/43/17/599184317.db2.gz BKYSPMBTHBEMLJ-CQSZACIVSA-N -1 3 365.412 3.132 20 0 FGADHM O=C(C[C@H]1CCCc2ccccc21)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822945340 599184318 /nfs/dbraw/zinc/18/43/18/599184318.db2.gz BKYSPMBTHBEMLJ-CQSZACIVSA-N -1 3 365.412 3.132 20 0 FGADHM CCN(C(=O)c1cc(C(C)(C)C)on1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736506281 599183144 /nfs/dbraw/zinc/18/31/44/599183144.db2.gz SGWHGCNKRAXRCH-LBPRGKRZSA-N -1 3 368.441 3.376 20 0 FGADHM CCN(C(=O)c1cc(C(C)(C)C)on1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736506281 599183146 /nfs/dbraw/zinc/18/31/46/599183146.db2.gz SGWHGCNKRAXRCH-LBPRGKRZSA-N -1 3 368.441 3.376 20 0 FGADHM CC(C)(C)c1cnc(NC(=O)CCc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000819966095 599194673 /nfs/dbraw/zinc/19/46/73/599194673.db2.gz WJWSTOAYWRRRFJ-UHFFFAOYSA-N -1 3 356.455 3.192 20 0 FGADHM CC(C)(C)c1cnc(NC(=O)CCc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000819966095 599194677 /nfs/dbraw/zinc/19/46/77/599194677.db2.gz WJWSTOAYWRRRFJ-UHFFFAOYSA-N -1 3 356.455 3.192 20 0 FGADHM Cc1cc(F)cc2[nH]c(C(=O)Nc3ccc(F)c(-c4nnn[n-]4)c3)cc21 ZINC000737261885 599199836 /nfs/dbraw/zinc/19/98/36/599199836.db2.gz BVKCOFDIXCGNRK-UHFFFAOYSA-N -1 3 354.320 3.187 20 0 FGADHM Cc1cc(F)cc2[nH]c(C(=O)Nc3ccc(F)c(-c4nn[n-]n4)c3)cc21 ZINC000737261885 599199837 /nfs/dbraw/zinc/19/98/37/599199837.db2.gz BVKCOFDIXCGNRK-UHFFFAOYSA-N -1 3 354.320 3.187 20 0 FGADHM CC(C)OC(=O)NCc1ccc(NCc2ccccc2-c2nnn[n-]2)cc1 ZINC000735894114 599205250 /nfs/dbraw/zinc/20/52/50/599205250.db2.gz FJFFEUFUJPIVOP-UHFFFAOYSA-N -1 3 366.425 3.113 20 0 FGADHM CC(C)OC(=O)NCc1ccc(NCc2ccccc2-c2nn[n-]n2)cc1 ZINC000735894114 599205252 /nfs/dbraw/zinc/20/52/52/599205252.db2.gz FJFFEUFUJPIVOP-UHFFFAOYSA-N -1 3 366.425 3.113 20 0 FGADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCC2(CCCC2)C1 ZINC000820033544 599206146 /nfs/dbraw/zinc/20/61/46/599206146.db2.gz WLRICIBYUZBXGP-QGZVFWFLSA-N -1 3 369.469 3.063 20 0 FGADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCC2(CCCC2)C1 ZINC000820033544 599206149 /nfs/dbraw/zinc/20/61/49/599206149.db2.gz WLRICIBYUZBXGP-QGZVFWFLSA-N -1 3 369.469 3.063 20 0 FGADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)N1CCC2(CCCC2)C1 ZINC000822955516 599207639 /nfs/dbraw/zinc/20/76/39/599207639.db2.gz YNHFYKMETPLBFW-UHFFFAOYSA-N -1 3 369.469 3.209 20 0 FGADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)N1CCC2(CCCC2)C1 ZINC000822955516 599207642 /nfs/dbraw/zinc/20/76/42/599207642.db2.gz YNHFYKMETPLBFW-UHFFFAOYSA-N -1 3 369.469 3.209 20 0 FGADHM CC(C)[C@H](Cc1ccc(F)cc1)N(C)C(=O)c1sccc1-c1nnn[n-]1 ZINC000820021165 599210541 /nfs/dbraw/zinc/21/05/41/599210541.db2.gz QDEUOYJHBABRED-HNNXBMFYSA-N -1 3 373.457 3.407 20 0 FGADHM CC(C)[C@H](Cc1ccc(F)cc1)N(C)C(=O)c1sccc1-c1nn[n-]n1 ZINC000820021165 599210543 /nfs/dbraw/zinc/21/05/43/599210543.db2.gz QDEUOYJHBABRED-HNNXBMFYSA-N -1 3 373.457 3.407 20 0 FGADHM CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)c2ccc(-c3nnn[n-]3)cn2)o1 ZINC000821481841 599220748 /nfs/dbraw/zinc/22/07/48/599220748.db2.gz PCKDEMHJRNASFT-LRDDRELGSA-N -1 3 366.425 3.031 20 0 FGADHM CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)c2ccc(-c3nn[n-]n3)cn2)o1 ZINC000821481841 599220750 /nfs/dbraw/zinc/22/07/50/599220750.db2.gz PCKDEMHJRNASFT-LRDDRELGSA-N -1 3 366.425 3.031 20 0 FGADHM CC1(C)C[C@H](NC(=O)C=Cc2ccccc2-c2nnn[n-]2)c2ccccc21 ZINC000820586701 607266042 /nfs/dbraw/zinc/26/60/42/607266042.db2.gz ZAINBOZRSYXIJX-JYBLJSLWSA-N -1 3 359.433 3.419 20 0 FGADHM CC1(C)C[C@H](NC(=O)C=Cc2ccccc2-c2nn[n-]n2)c2ccccc21 ZINC000820586701 607266043 /nfs/dbraw/zinc/26/60/43/607266043.db2.gz ZAINBOZRSYXIJX-JYBLJSLWSA-N -1 3 359.433 3.419 20 0 FGADHM Cc1cccc(OCCCC(=O)Nc2cccc(-c3nnn[n-]3)c2C)c1 ZINC000822328230 607270192 /nfs/dbraw/zinc/27/01/92/607270192.db2.gz NFSGFTBVPJPMJR-UHFFFAOYSA-N -1 3 351.410 3.281 20 0 FGADHM Cc1cccc(OCCCC(=O)Nc2cccc(-c3nn[n-]n3)c2C)c1 ZINC000822328230 607270193 /nfs/dbraw/zinc/27/01/93/607270193.db2.gz NFSGFTBVPJPMJR-UHFFFAOYSA-N -1 3 351.410 3.281 20 0 FGADHM CCOc1ccc(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1OCC ZINC000821417224 607269473 /nfs/dbraw/zinc/26/94/73/607269473.db2.gz JNPQMZIHGKCZDF-UHFFFAOYSA-N -1 3 367.409 3.225 20 0 FGADHM CCOc1ccc(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1OCC ZINC000821417224 607269474 /nfs/dbraw/zinc/26/94/74/607269474.db2.gz JNPQMZIHGKCZDF-UHFFFAOYSA-N -1 3 367.409 3.225 20 0 FGADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)Nc1ccc(Cl)cc1F ZINC000823238977 599244543 /nfs/dbraw/zinc/24/45/43/599244543.db2.gz VKKKCONNGOOBKZ-UHFFFAOYSA-N -1 3 364.743 3.120 20 0 FGADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)Nc1ccc(Cl)cc1F ZINC000823238977 599244545 /nfs/dbraw/zinc/24/45/45/599244545.db2.gz VKKKCONNGOOBKZ-UHFFFAOYSA-N -1 3 364.743 3.120 20 0 FGADHM O=C([O-])Cc1cccc(NC(=O)N[C@H](CN2CCCC2)c2ccccc2)c1 ZINC000738623413 597183392 /nfs/dbraw/zinc/18/33/92/597183392.db2.gz FOGBATGHLRGZSQ-LJQANCHMSA-N -1 3 367.449 3.272 20 0 FGADHM CCCc1ccc(NC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000821138684 599249618 /nfs/dbraw/zinc/24/96/18/599249618.db2.gz DYACPNIXSNUAOC-UHFFFAOYSA-N -1 3 354.389 3.280 20 0 FGADHM CCCc1ccc(NC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000821138684 599249619 /nfs/dbraw/zinc/24/96/19/599249619.db2.gz DYACPNIXSNUAOC-UHFFFAOYSA-N -1 3 354.389 3.280 20 0 FGADHM Cc1c(NC(=O)NCC(C)(C)c2ccccc2)cccc1-c1nnn[n-]1 ZINC000822095900 607287542 /nfs/dbraw/zinc/28/75/42/607287542.db2.gz HOBOAUZLJJULFZ-UHFFFAOYSA-N -1 3 350.426 3.274 20 0 FGADHM Cc1c(NC(=O)NCC(C)(C)c2ccccc2)cccc1-c1nn[n-]n1 ZINC000822095900 607287543 /nfs/dbraw/zinc/28/75/43/607287543.db2.gz HOBOAUZLJJULFZ-UHFFFAOYSA-N -1 3 350.426 3.274 20 0 FGADHM CCOc1cc(F)ccc1NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821400184 599257384 /nfs/dbraw/zinc/25/73/84/599257384.db2.gz GENUUNWVYQZOKY-NSHDSACASA-N -1 3 370.388 3.287 20 0 FGADHM CCOc1cc(F)ccc1NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821400184 599257386 /nfs/dbraw/zinc/25/73/86/599257386.db2.gz GENUUNWVYQZOKY-NSHDSACASA-N -1 3 370.388 3.287 20 0 FGADHM Cc1ccc(OCCN(C)c2c(-c3nnn[n-]3)cnc3ccccc32)cc1 ZINC000737366565 599262287 /nfs/dbraw/zinc/26/22/87/599262287.db2.gz RZWHKCBYZNOSAZ-UHFFFAOYSA-N -1 3 360.421 3.239 20 0 FGADHM Cc1ccc(OCCN(C)c2c(-c3nn[n-]n3)cnc3ccccc32)cc1 ZINC000737366565 599262289 /nfs/dbraw/zinc/26/22/89/599262289.db2.gz RZWHKCBYZNOSAZ-UHFFFAOYSA-N -1 3 360.421 3.239 20 0 FGADHM Cc1c(NC(=O)NCC[C@H](C)c2ccccc2)cccc1-c1nnn[n-]1 ZINC000822096756 607292596 /nfs/dbraw/zinc/29/25/96/607292596.db2.gz QHKCFZRCZHVMBK-ZDUSSCGKSA-N -1 3 350.426 3.490 20 0 FGADHM Cc1c(NC(=O)NCC[C@H](C)c2ccccc2)cccc1-c1nn[n-]n1 ZINC000822096756 607292597 /nfs/dbraw/zinc/29/25/97/607292597.db2.gz QHKCFZRCZHVMBK-ZDUSSCGKSA-N -1 3 350.426 3.490 20 0 FGADHM Cc1c(NC(=O)NCc2ccc3ccccc3n2)cccc1-c1nnn[n-]1 ZINC000822103610 607292782 /nfs/dbraw/zinc/29/27/82/607292782.db2.gz IQTNWUTVNQTPBL-UHFFFAOYSA-N -1 3 359.393 3.045 20 0 FGADHM Cc1c(NC(=O)NCc2ccc3ccccc3n2)cccc1-c1nn[n-]n1 ZINC000822103610 607292783 /nfs/dbraw/zinc/29/27/83/607292783.db2.gz IQTNWUTVNQTPBL-UHFFFAOYSA-N -1 3 359.393 3.045 20 0 FGADHM COc1ccc(CNc2ccc(NC(=O)C(C)C)cc2)cc1-c1nnn[n-]1 ZINC000821821600 607307842 /nfs/dbraw/zinc/30/78/42/607307842.db2.gz MSSDBRJKKBXZAN-UHFFFAOYSA-N -1 3 366.425 3.082 20 0 FGADHM COc1ccc(CNc2ccc(NC(=O)C(C)C)cc2)cc1-c1nn[n-]n1 ZINC000821821600 607307843 /nfs/dbraw/zinc/30/78/43/607307843.db2.gz MSSDBRJKKBXZAN-UHFFFAOYSA-N -1 3 366.425 3.082 20 0 FGADHM COc1ccc(CNc2ccc(OC(F)F)c(F)c2)cc1-c1nnn[n-]1 ZINC000821821558 607309861 /nfs/dbraw/zinc/30/98/61/607309861.db2.gz KVJPGWLPKVOHLC-UHFFFAOYSA-N -1 3 365.315 3.228 20 0 FGADHM COc1ccc(CNc2ccc(OC(F)F)c(F)c2)cc1-c1nn[n-]n1 ZINC000821821558 607309862 /nfs/dbraw/zinc/30/98/62/607309862.db2.gz KVJPGWLPKVOHLC-UHFFFAOYSA-N -1 3 365.315 3.228 20 0 FGADHM Cc1cc(C)n(-c2ccc(NCc3ccc(-c4nnn[n-]4)s3)cc2F)n1 ZINC000822197636 607313508 /nfs/dbraw/zinc/31/35/08/607313508.db2.gz IYSHRHKRUSJXLK-UHFFFAOYSA-N -1 3 369.429 3.482 20 0 FGADHM CSc1cc2c(cc1NCc1ccc(-c3nnn[n-]3)s1)OCCO2 ZINC000821977491 607316142 /nfs/dbraw/zinc/31/61/42/607316142.db2.gz HKMMJOXEEFUWAL-UHFFFAOYSA-N -1 3 361.452 3.033 20 0 FGADHM c1ccc2c(c1)ncc(-c1nnn[n-]1)c2NCCc1cccc2cccnc21 ZINC000738445159 599266658 /nfs/dbraw/zinc/26/66/58/599266658.db2.gz FCHRAJCSFYUKEC-UHFFFAOYSA-N -1 3 367.416 3.040 20 0 FGADHM c1ccc2c(c1)ncc(-c1nn[n-]n1)c2NCCc1cccc2cccnc21 ZINC000738445159 599266661 /nfs/dbraw/zinc/26/66/61/599266661.db2.gz FCHRAJCSFYUKEC-UHFFFAOYSA-N -1 3 367.416 3.040 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NC[C@@H](C)Sc1ccccc1 ZINC000822220154 599270813 /nfs/dbraw/zinc/27/08/13/599270813.db2.gz GBZNHQIGGAJOPD-CYBMUJFWSA-N -1 3 368.466 3.477 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NC[C@@H](C)Sc1ccccc1 ZINC000822220154 599270815 /nfs/dbraw/zinc/27/08/15/599270815.db2.gz GBZNHQIGGAJOPD-CYBMUJFWSA-N -1 3 368.466 3.477 20 0 FGADHM CCC[C@@H]1[C@@H](C)CCCN1C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC000821033485 599273790 /nfs/dbraw/zinc/27/37/90/599273790.db2.gz BTLIWLNSUHWKCC-SWLSCSKDSA-N -1 3 358.446 3.308 20 0 FGADHM CCC[C@@H]1[C@@H](C)CCCN1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC000821033485 599273792 /nfs/dbraw/zinc/27/37/92/599273792.db2.gz BTLIWLNSUHWKCC-SWLSCSKDSA-N -1 3 358.446 3.308 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc2ccccc2[nH]1 ZINC000736488478 599275213 /nfs/dbraw/zinc/27/52/13/599275213.db2.gz RQVZCBSYYNFBOX-UHFFFAOYSA-N -1 3 361.409 3.422 20 0 FGADHM CCC(CC)n1nccc1C(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000820902901 607318163 /nfs/dbraw/zinc/31/81/63/607318163.db2.gz PSEXHMAPCYZJTA-UHFFFAOYSA-N -1 3 373.848 3.354 20 0 FGADHM CCC(CC)n1nccc1C(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000820902901 607318164 /nfs/dbraw/zinc/31/81/64/607318164.db2.gz PSEXHMAPCYZJTA-UHFFFAOYSA-N -1 3 373.848 3.354 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cccc(OCC)c1 ZINC000736488936 599278178 /nfs/dbraw/zinc/27/81/78/599278178.db2.gz VISXVNLQVJJWLA-UHFFFAOYSA-N -1 3 366.425 3.340 20 0 FGADHM CCSc1cccc(NC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)c1 ZINC000821460990 599281657 /nfs/dbraw/zinc/28/16/57/599281657.db2.gz IIFZNHAIRKJTLQ-UHFFFAOYSA-N -1 3 372.429 3.440 20 0 FGADHM CCSc1cccc(NC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC000821460990 599281660 /nfs/dbraw/zinc/28/16/60/599281660.db2.gz IIFZNHAIRKJTLQ-UHFFFAOYSA-N -1 3 372.429 3.440 20 0 FGADHM Cc1ccc(-c2nnc(COc3c(C)cc(-c4nn[n-]n4)cc3C)o2)cc1 ZINC000737290275 599283856 /nfs/dbraw/zinc/28/38/56/599283856.db2.gz YIHNENRKFYRVJD-UHFFFAOYSA-N -1 3 362.393 3.421 20 0 FGADHM C[C@H](Sc1nnc(-c2ccco2)n1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736192285 599284706 /nfs/dbraw/zinc/28/47/06/599284706.db2.gz KZXHTTVJWMWSPY-JTQLQIEISA-N -1 3 353.411 3.109 20 0 FGADHM C[C@H](Sc1nnc(-c2ccco2)n1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736192285 599284709 /nfs/dbraw/zinc/28/47/09/599284709.db2.gz KZXHTTVJWMWSPY-JTQLQIEISA-N -1 3 353.411 3.109 20 0 FGADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccc2ccn(C)c2c1 ZINC000821612211 599286372 /nfs/dbraw/zinc/28/63/72/599286372.db2.gz MTQLLHBQFGOXFG-UHFFFAOYSA-N -1 3 361.409 3.022 20 0 FGADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccc2ccn(C)c2c1 ZINC000821612211 599286373 /nfs/dbraw/zinc/28/63/73/599286373.db2.gz MTQLLHBQFGOXFG-UHFFFAOYSA-N -1 3 361.409 3.022 20 0 FGADHM CCc1c(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)cnn1-c1ccccc1 ZINC000821460984 607320956 /nfs/dbraw/zinc/32/09/56/607320956.db2.gz HZPSKKJCHOOEOJ-UHFFFAOYSA-N -1 3 373.420 3.176 20 0 FGADHM CCc1c(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)cnn1-c1ccccc1 ZINC000821460984 607320957 /nfs/dbraw/zinc/32/09/57/607320957.db2.gz HZPSKKJCHOOEOJ-UHFFFAOYSA-N -1 3 373.420 3.176 20 0 FGADHM COCCn1c(C)c(C)nc1S[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737017728 599290006 /nfs/dbraw/zinc/29/00/06/599290006.db2.gz ZROFRENZFGBNHG-ZDUSSCGKSA-N -1 3 358.471 3.180 20 0 FGADHM COCCn1c(C)c(C)nc1S[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737017728 599290009 /nfs/dbraw/zinc/29/00/09/599290009.db2.gz ZROFRENZFGBNHG-ZDUSSCGKSA-N -1 3 358.471 3.180 20 0 FGADHM C[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820698634 599290792 /nfs/dbraw/zinc/29/07/92/599290792.db2.gz VIGRAJZZHGBIMO-PELKAZGASA-N -1 3 354.336 3.196 20 0 FGADHM C[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820698634 599290794 /nfs/dbraw/zinc/29/07/94/599290794.db2.gz VIGRAJZZHGBIMO-PELKAZGASA-N -1 3 354.336 3.196 20 0 FGADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccccc1OC1CCC1 ZINC000736818095 599292323 /nfs/dbraw/zinc/29/23/23/599292323.db2.gz NFBARQDWLREVEV-UHFFFAOYSA-N -1 3 363.421 3.070 20 0 FGADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccccc1OC1CCC1 ZINC000736818095 599292324 /nfs/dbraw/zinc/29/23/24/599292324.db2.gz NFBARQDWLREVEV-UHFFFAOYSA-N -1 3 363.421 3.070 20 0 FGADHM CC(C)Cn1ccnc1CNc1ccc(C(F)(F)F)c(-c2nnn[n-]2)c1 ZINC000820108241 607345510 /nfs/dbraw/zinc/34/55/10/607345510.db2.gz HGPQIVIYGUMGDY-UHFFFAOYSA-N -1 3 365.363 3.350 20 0 FGADHM CC(C)Cn1ccnc1CNc1ccc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC000820108241 607345512 /nfs/dbraw/zinc/34/55/12/607345512.db2.gz HGPQIVIYGUMGDY-UHFFFAOYSA-N -1 3 365.363 3.350 20 0 FGADHM CCO[C@@H]1C[C@H]1C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736609896 598231534 /nfs/dbraw/zinc/23/15/34/598231534.db2.gz GWNYEBMWZFAZSY-IAGOWNOFSA-N -1 3 365.393 3.023 20 0 FGADHM CCO[C@@H]1C[C@H]1C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736609896 598231535 /nfs/dbraw/zinc/23/15/35/598231535.db2.gz GWNYEBMWZFAZSY-IAGOWNOFSA-N -1 3 365.393 3.023 20 0 FGADHM O=C(CC1CCCCC1)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000737813899 598236706 /nfs/dbraw/zinc/23/67/06/598236706.db2.gz LNDKUOKTVPUGNF-UHFFFAOYSA-N -1 3 369.469 3.207 20 0 FGADHM O=C(CC1CCCCC1)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000737813899 598236707 /nfs/dbraw/zinc/23/67/07/598236707.db2.gz LNDKUOKTVPUGNF-UHFFFAOYSA-N -1 3 369.469 3.207 20 0 FGADHM O=C1CCCCN1c1ccc(CNc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000738304344 598241273 /nfs/dbraw/zinc/24/12/73/598241273.db2.gz XQJFSXAENSEYJN-UHFFFAOYSA-N -1 3 366.400 3.135 20 0 FGADHM Cc1c(Cl)cccc1NC(=O)CCNc1ccc(-c2nn[n-]n2)cc1F ZINC000737216566 598243818 /nfs/dbraw/zinc/24/38/18/598243818.db2.gz SVZGUTNVBFFKCW-UHFFFAOYSA-N -1 3 374.807 3.408 20 0 FGADHM CC[C@H](NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1nc(C)cs1 ZINC000736360902 598265303 /nfs/dbraw/zinc/26/53/03/598265303.db2.gz CIOWKJGDUQFTJV-LBPRGKRZSA-N -1 3 361.406 3.044 20 0 FGADHM CC[C@H](NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1nc(C)cs1 ZINC000736360902 598265305 /nfs/dbraw/zinc/26/53/05/598265305.db2.gz CIOWKJGDUQFTJV-LBPRGKRZSA-N -1 3 361.406 3.044 20 0 FGADHM Cc1cccc2c1CC[C@H]2NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737407664 598265931 /nfs/dbraw/zinc/26/59/31/598265931.db2.gz DMSJGLOJGQSPLB-MRXNPFEDSA-N -1 3 352.373 3.123 20 0 FGADHM Cc1cccc2c1CC[C@H]2NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737407664 598265933 /nfs/dbraw/zinc/26/59/33/598265933.db2.gz DMSJGLOJGQSPLB-MRXNPFEDSA-N -1 3 352.373 3.123 20 0 FGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)NCCC1=CCCCC1 ZINC000735659473 598274962 /nfs/dbraw/zinc/27/49/62/598274962.db2.gz AEDBGRRWANCJKB-UHFFFAOYSA-N -1 3 357.462 3.435 20 0 FGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)NCCC1=CCCCC1 ZINC000735659473 598274965 /nfs/dbraw/zinc/27/49/65/598274965.db2.gz AEDBGRRWANCJKB-UHFFFAOYSA-N -1 3 357.462 3.435 20 0 FGADHM CC(C)CCN(C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C)C1CC1 ZINC000735798559 598277698 /nfs/dbraw/zinc/27/76/98/598277698.db2.gz XRDYDMYLQHPNKK-UHFFFAOYSA-N -1 3 359.478 3.466 20 0 FGADHM CC(C)CCN(C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C)C1CC1 ZINC000735798559 598277699 /nfs/dbraw/zinc/27/76/99/598277699.db2.gz XRDYDMYLQHPNKK-UHFFFAOYSA-N -1 3 359.478 3.466 20 0 FGADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCC2)c1cnc(C2CC2)s1 ZINC000738212691 598278476 /nfs/dbraw/zinc/27/84/76/598278476.db2.gz YPOPXSCIDLXWGU-UHFFFAOYSA-N -1 3 358.452 3.003 20 0 FGADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCC2)c1cnc(C2CC2)s1 ZINC000738212691 598278477 /nfs/dbraw/zinc/27/84/77/598278477.db2.gz YPOPXSCIDLXWGU-UHFFFAOYSA-N -1 3 358.452 3.003 20 0 FGADHM C[C@@H](c1ccc(Cl)cc1)S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736201283 598289530 /nfs/dbraw/zinc/28/95/30/598289530.db2.gz WOVPXOVYHDASOQ-NSHDSACASA-N -1 3 362.842 3.196 20 0 FGADHM C[C@@H](c1ccc(Cl)cc1)S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736201283 598289532 /nfs/dbraw/zinc/28/95/32/598289532.db2.gz WOVPXOVYHDASOQ-NSHDSACASA-N -1 3 362.842 3.196 20 0 FGADHM C[C@@H](NC(=O)Nc1ccc2c(c1)CCCO2)c1ccc(-c2nnn[n-]2)cc1 ZINC000736114344 598292172 /nfs/dbraw/zinc/29/21/72/598292172.db2.gz BHEGOLIDXDNZPH-GFCCVEGCSA-N -1 3 364.409 3.074 20 0 FGADHM C[C@@H](NC(=O)Nc1ccc2c(c1)CCCO2)c1ccc(-c2nn[n-]n2)cc1 ZINC000736114344 598292174 /nfs/dbraw/zinc/29/21/74/598292174.db2.gz BHEGOLIDXDNZPH-GFCCVEGCSA-N -1 3 364.409 3.074 20 0 FGADHM CCC(=CC(=O)NCc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000736304193 598296703 /nfs/dbraw/zinc/29/67/03/598296703.db2.gz LXYAVIKJEOKKON-QBFSEMIESA-N -1 3 351.385 3.116 20 0 FGADHM CCC(=CC(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000736304193 598296705 /nfs/dbraw/zinc/29/67/05/598296705.db2.gz LXYAVIKJEOKKON-QBFSEMIESA-N -1 3 351.385 3.116 20 0 FGADHM CC(C)[C@H](CC(=O)NCc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000735707049 598296869 /nfs/dbraw/zinc/29/68/69/598296869.db2.gz FWQRXWPTJDFUCA-KRWDZBQOSA-N -1 3 367.428 3.452 20 0 FGADHM CC(C)[C@H](CC(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000735707049 598296871 /nfs/dbraw/zinc/29/68/71/598296871.db2.gz FWQRXWPTJDFUCA-KRWDZBQOSA-N -1 3 367.428 3.452 20 0 FGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N1CC2(CCC2)c2c1cccc2F ZINC000738179585 598300928 /nfs/dbraw/zinc/30/09/28/598300928.db2.gz XPCLMFULLSLABE-UHFFFAOYSA-N -1 3 364.384 3.480 20 0 FGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N1CC2(CCC2)c2c1cccc2F ZINC000738179585 598300930 /nfs/dbraw/zinc/30/09/30/598300930.db2.gz XPCLMFULLSLABE-UHFFFAOYSA-N -1 3 364.384 3.480 20 0 FGADHM O=C(Cc1csc2ccccc12)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737977363 598301052 /nfs/dbraw/zinc/30/10/52/598301052.db2.gz BGUFDHMNUYFCCK-UHFFFAOYSA-N -1 3 367.409 3.079 20 0 FGADHM O=C(Cc1csc2ccccc12)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737977363 598301054 /nfs/dbraw/zinc/30/10/54/598301054.db2.gz BGUFDHMNUYFCCK-UHFFFAOYSA-N -1 3 367.409 3.079 20 0 FGADHM Cc1ccc2c(CC(=O)OCc3cc(-c4nnn[n-]4)ccc3F)c[nH]c2c1 ZINC000737372001 598302227 /nfs/dbraw/zinc/30/22/27/598302227.db2.gz SXAYOTVELWALJE-UHFFFAOYSA-N -1 3 365.368 3.081 20 0 FGADHM Cc1ccc2c(CC(=O)OCc3cc(-c4nn[n-]n4)ccc3F)c[nH]c2c1 ZINC000737372001 598302229 /nfs/dbraw/zinc/30/22/29/598302229.db2.gz SXAYOTVELWALJE-UHFFFAOYSA-N -1 3 365.368 3.081 20 0 FGADHM Cc1cc(C)c(NC(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c(C)n1 ZINC000737249322 598332667 /nfs/dbraw/zinc/33/26/67/598332667.db2.gz WGJJVRWKISEVNU-LBPRGKRZSA-N -1 3 351.414 3.070 20 0 FGADHM Cc1cc(C)c(NC(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c(C)n1 ZINC000737249322 598332669 /nfs/dbraw/zinc/33/26/69/598332669.db2.gz WGJJVRWKISEVNU-LBPRGKRZSA-N -1 3 351.414 3.070 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)CCc1cc(C)cc(C)c1 ZINC000821406165 607350817 /nfs/dbraw/zinc/35/08/17/607350817.db2.gz AXFFZTDAMRCRIZ-UHFFFAOYSA-N -1 3 365.437 3.454 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)CCc1cc(C)cc(C)c1 ZINC000821406165 607350818 /nfs/dbraw/zinc/35/08/18/607350818.db2.gz AXFFZTDAMRCRIZ-UHFFFAOYSA-N -1 3 365.437 3.454 20 0 FGADHM C[C@H](CC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1F ZINC000735977968 598364489 /nfs/dbraw/zinc/36/44/89/598364489.db2.gz XUKKINFPMAXZRP-CHWSQXEVSA-N -1 3 353.401 3.377 20 0 FGADHM C[C@H](CC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1F ZINC000735977968 598364491 /nfs/dbraw/zinc/36/44/91/598364491.db2.gz XUKKINFPMAXZRP-CHWSQXEVSA-N -1 3 353.401 3.377 20 0 FGADHM Cn1cc(C(=O)OCc2ccccc2-c2nnn[n-]2)c(C2CCCCC2)n1 ZINC000737607342 598371282 /nfs/dbraw/zinc/37/12/82/598371282.db2.gz XXNFRERINAJKJI-UHFFFAOYSA-N -1 3 366.425 3.005 20 0 FGADHM Cn1cc(C(=O)OCc2ccccc2-c2nn[n-]n2)c(C2CCCCC2)n1 ZINC000737607342 598371284 /nfs/dbraw/zinc/37/12/84/598371284.db2.gz XXNFRERINAJKJI-UHFFFAOYSA-N -1 3 366.425 3.005 20 0 FGADHM O=C1OC(c2ccc(-c3nnn[n-]3)cc2)=NC1=Cc1ccc(Cl)c(F)c1 ZINC000738318054 598379421 /nfs/dbraw/zinc/37/94/21/598379421.db2.gz IOVDSASFXOFQHM-ZSOIEALJSA-N -1 3 369.743 3.004 20 0 FGADHM O=C1OC(c2ccc(-c3nn[n-]n3)cc2)=NC1=Cc1ccc(Cl)c(F)c1 ZINC000738318054 598379422 /nfs/dbraw/zinc/37/94/22/598379422.db2.gz IOVDSASFXOFQHM-ZSOIEALJSA-N -1 3 369.743 3.004 20 0 FGADHM Cc1ccc2c(c1)[C@H](NC(=S)Nc1ccccc1-c1nnn[n-]1)CC2 ZINC000737372021 598394509 /nfs/dbraw/zinc/39/45/09/598394509.db2.gz UHMGRTYMDZAZIK-MRXNPFEDSA-N -1 3 350.451 3.149 20 0 FGADHM Cc1ccc2c(c1)[C@H](NC(=S)Nc1ccccc1-c1nn[n-]n1)CC2 ZINC000737372021 598394511 /nfs/dbraw/zinc/39/45/11/598394511.db2.gz UHMGRTYMDZAZIK-MRXNPFEDSA-N -1 3 350.451 3.149 20 0 FGADHM CO[C@@H](C)c1cccc(NC(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736963748 598413054 /nfs/dbraw/zinc/41/30/54/598413054.db2.gz STEGQGMJVBCJGG-ZDUSSCGKSA-N -1 3 366.425 3.238 20 0 FGADHM CO[C@@H](C)c1cccc(NC(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736963748 598413056 /nfs/dbraw/zinc/41/30/56/598413056.db2.gz STEGQGMJVBCJGG-ZDUSSCGKSA-N -1 3 366.425 3.238 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCc2ccccc2[C@H]1C ZINC000737061338 598413663 /nfs/dbraw/zinc/41/36/63/598413663.db2.gz APDXKNGNNFLAMS-GFCCVEGCSA-N -1 3 364.409 3.027 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCc2ccccc2[C@H]1C ZINC000737061338 598413665 /nfs/dbraw/zinc/41/36/65/598413665.db2.gz APDXKNGNNFLAMS-GFCCVEGCSA-N -1 3 364.409 3.027 20 0 FGADHM Cc1nc(C)c([C@H](C)N(C)C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)s1 ZINC000737471892 598413917 /nfs/dbraw/zinc/41/39/17/598413917.db2.gz VVGWQRMCYDHUHE-NSHDSACASA-N -1 3 371.470 3.473 20 0 FGADHM Cc1nc(C)c([C@H](C)N(C)C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)s1 ZINC000737471892 598413919 /nfs/dbraw/zinc/41/39/19/598413919.db2.gz VVGWQRMCYDHUHE-NSHDSACASA-N -1 3 371.470 3.473 20 0 FGADHM C[C@H](NC(=O)N1CCCc2sccc2C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736112998 598429708 /nfs/dbraw/zinc/42/97/08/598429708.db2.gz LNHZZIURTFBEOJ-LBPRGKRZSA-N -1 3 368.466 3.147 20 0 FGADHM C[C@H](NC(=O)N1CCCc2sccc2C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736112998 598429710 /nfs/dbraw/zinc/42/97/10/598429710.db2.gz LNHZZIURTFBEOJ-LBPRGKRZSA-N -1 3 368.466 3.147 20 0 FGADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1)c1ccc(Oc2cccnc2)cc1 ZINC000738229930 598433846 /nfs/dbraw/zinc/43/38/46/598433846.db2.gz BSAKTDKSTGXHNF-UHFFFAOYSA-N -1 3 373.372 3.411 20 0 FGADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1)c1ccc(Oc2cccnc2)cc1 ZINC000738229930 598433848 /nfs/dbraw/zinc/43/38/48/598433848.db2.gz BSAKTDKSTGXHNF-UHFFFAOYSA-N -1 3 373.372 3.411 20 0 FGADHM COc1ccccc1C(C)=CC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737141944 598442815 /nfs/dbraw/zinc/44/28/15/598442815.db2.gz KYQVGIFBBQKJDU-DINCDJDBSA-N -1 3 363.421 3.156 20 0 FGADHM COc1ccccc1C(C)=CC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737141944 598442817 /nfs/dbraw/zinc/44/28/17/598442817.db2.gz KYQVGIFBBQKJDU-DINCDJDBSA-N -1 3 363.421 3.156 20 0 FGADHM CN(C(=O)c1ccc(-c2nnn[n-]2)cn1)c1ccc(Oc2ccccc2)cc1 ZINC000736749220 598449772 /nfs/dbraw/zinc/44/97/72/598449772.db2.gz OAXBLIACABHRIE-UHFFFAOYSA-N -1 3 372.388 3.331 20 0 FGADHM CN(C(=O)c1ccc(-c2nn[n-]n2)cn1)c1ccc(Oc2ccccc2)cc1 ZINC000736749220 598449773 /nfs/dbraw/zinc/44/97/73/598449773.db2.gz OAXBLIACABHRIE-UHFFFAOYSA-N -1 3 372.388 3.331 20 0 FGADHM O=C(Nc1cccc(F)c1)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000738183220 598468849 /nfs/dbraw/zinc/46/88/49/598468849.db2.gz JYOPTWQBZVPPLW-UHFFFAOYSA-N -1 3 352.373 3.202 20 0 FGADHM O=C(Nc1cccc(F)c1)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000738183220 598468850 /nfs/dbraw/zinc/46/88/50/598468850.db2.gz JYOPTWQBZVPPLW-UHFFFAOYSA-N -1 3 352.373 3.202 20 0 FGADHM O=C(Nc1cc(F)ccc1F)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000738144258 598475929 /nfs/dbraw/zinc/47/59/29/598475929.db2.gz KQGLFBMQJABNIE-UHFFFAOYSA-N -1 3 370.363 3.341 20 0 FGADHM O=C(Nc1cc(F)ccc1F)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000738144258 598475931 /nfs/dbraw/zinc/47/59/31/598475931.db2.gz KQGLFBMQJABNIE-UHFFFAOYSA-N -1 3 370.363 3.341 20 0 FGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)c1csc(C2CC2)n1 ZINC000735661173 598488022 /nfs/dbraw/zinc/48/80/22/598488022.db2.gz KQJDXWNWBHKRBS-UHFFFAOYSA-N -1 3 357.443 3.009 20 0 FGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)c1csc(C2CC2)n1 ZINC000735661173 598488023 /nfs/dbraw/zinc/48/80/23/598488023.db2.gz KQJDXWNWBHKRBS-UHFFFAOYSA-N -1 3 357.443 3.009 20 0 FGADHM C[C@H](OC(=O)C=Cc1cnc2ccccc2n1)c1cccc(-c2nnn[n-]2)c1 ZINC000736154392 598489151 /nfs/dbraw/zinc/48/91/51/598489151.db2.gz UWPUCGXARYEPNQ-LXKVQUBZSA-N -1 3 372.388 3.128 20 0 FGADHM C[C@H](OC(=O)C=Cc1cnc2ccccc2n1)c1cccc(-c2nn[n-]n2)c1 ZINC000736154392 598489152 /nfs/dbraw/zinc/48/91/52/598489152.db2.gz UWPUCGXARYEPNQ-LXKVQUBZSA-N -1 3 372.388 3.128 20 0 FGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)[C@@H]1Cc2ccccc2S1 ZINC000735655336 598489569 /nfs/dbraw/zinc/48/95/69/598489569.db2.gz NARMFGXXTWCHOK-AWEZNQCLSA-N -1 3 368.466 3.079 20 0 FGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1Cc2ccccc2S1 ZINC000735655336 598489571 /nfs/dbraw/zinc/48/95/71/598489571.db2.gz NARMFGXXTWCHOK-AWEZNQCLSA-N -1 3 368.466 3.079 20 0 FGADHM O[C@@H](c1ccc(F)cc1)C1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000738389736 598504478 /nfs/dbraw/zinc/50/44/78/598504478.db2.gz ZRELONJGLUMSLT-SFHVURJKSA-N -1 3 371.391 3.095 20 0 FGADHM O[C@@H](c1ccc(F)cc1)C1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000738389736 598504480 /nfs/dbraw/zinc/50/44/80/598504480.db2.gz ZRELONJGLUMSLT-SFHVURJKSA-N -1 3 371.391 3.095 20 0 FGADHM O=C(OCc1cc(-c2nnn[n-]2)ccc1F)c1csc(-c2ccoc2)n1 ZINC000738235941 598513820 /nfs/dbraw/zinc/51/38/20/598513820.db2.gz CMLIYGYHKITSRN-UHFFFAOYSA-N -1 3 371.353 3.079 20 0 FGADHM O=C(OCc1cc(-c2nn[n-]n2)ccc1F)c1csc(-c2ccoc2)n1 ZINC000738235941 598513822 /nfs/dbraw/zinc/51/38/22/598513822.db2.gz CMLIYGYHKITSRN-UHFFFAOYSA-N -1 3 371.353 3.079 20 0 FGADHM CCSc1ccc(C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)cn1 ZINC000736668392 598514172 /nfs/dbraw/zinc/51/41/72/598514172.db2.gz YNQKHMRMGVYAMF-UHFFFAOYSA-N -1 3 360.830 3.279 20 0 FGADHM CCSc1ccc(C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)cn1 ZINC000736668392 598514173 /nfs/dbraw/zinc/51/41/73/598514173.db2.gz YNQKHMRMGVYAMF-UHFFFAOYSA-N -1 3 360.830 3.279 20 0 FGADHM CCc1c(C)sc(NC(=O)c2ccc3c(c2)COC3)c1-c1nnn[n-]1 ZINC000736676261 598516232 /nfs/dbraw/zinc/51/62/32/598516232.db2.gz QDASGDIUAQYLDJ-UHFFFAOYSA-N -1 3 355.423 3.082 20 0 FGADHM CCc1c(C)sc(NC(=O)c2ccc3c(c2)COC3)c1-c1nn[n-]n1 ZINC000736676261 598516234 /nfs/dbraw/zinc/51/62/34/598516234.db2.gz QDASGDIUAQYLDJ-UHFFFAOYSA-N -1 3 355.423 3.082 20 0 FGADHM CCCC[C@@H]1CCC[C@@H]1NC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000736441768 598519803 /nfs/dbraw/zinc/51/98/03/598519803.db2.gz UHQLQMJEPKYYEE-VBQJREDUSA-N -1 3 357.458 3.109 20 0 FGADHM CC(C)CC[C@H]1CCC[C@H]1NC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000735796331 598526806 /nfs/dbraw/zinc/52/68/06/598526806.db2.gz AEFODJPVMIKWJA-NVXWUHKLSA-N -1 3 356.474 3.271 20 0 FGADHM CC(C)CC[C@H]1CCC[C@H]1NC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000735796331 598526807 /nfs/dbraw/zinc/52/68/07/598526807.db2.gz AEFODJPVMIKWJA-NVXWUHKLSA-N -1 3 356.474 3.271 20 0 FGADHM COc1ccccc1[C@@H]1CCCN1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000737146634 598527217 /nfs/dbraw/zinc/52/72/17/598527217.db2.gz INBCHFMPLRXRHZ-INIZCTEOSA-N -1 3 364.409 3.244 20 0 FGADHM COc1ccccc1[C@@H]1CCCN1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000737146634 598527218 /nfs/dbraw/zinc/52/72/18/598527218.db2.gz INBCHFMPLRXRHZ-INIZCTEOSA-N -1 3 364.409 3.244 20 0 FGADHM CCCC[C@@H]1CCC[C@H]1NC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736442242 598528470 /nfs/dbraw/zinc/52/84/70/598528470.db2.gz VXWUPPOOJNAPFK-NVXWUHKLSA-N -1 3 356.474 3.367 20 0 FGADHM CCCC[C@@H]1CCC[C@H]1NC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736442242 598528472 /nfs/dbraw/zinc/52/84/72/598528472.db2.gz VXWUPPOOJNAPFK-NVXWUHKLSA-N -1 3 356.474 3.367 20 0 FGADHM O=C(c1sccc1-c1nnn[n-]1)N(Cc1cscn1)c1ccccc1 ZINC000738293633 598535766 /nfs/dbraw/zinc/53/57/66/598535766.db2.gz ZGSKZNRAVUCXNY-UHFFFAOYSA-N -1 3 368.447 3.232 20 0 FGADHM O=C(c1sccc1-c1nn[n-]n1)N(Cc1cscn1)c1ccccc1 ZINC000738293633 598535768 /nfs/dbraw/zinc/53/57/68/598535768.db2.gz ZGSKZNRAVUCXNY-UHFFFAOYSA-N -1 3 368.447 3.232 20 0 FGADHM c1ccc2[nH]c(-c3ccc(CNc4ccc(-c5nnn[n-]5)cn4)cc3)nc2c1 ZINC000738433380 598538496 /nfs/dbraw/zinc/53/84/96/598538496.db2.gz RRHSJTZXPYCLPT-UHFFFAOYSA-N -1 3 368.404 3.417 20 0 FGADHM c1ccc2[nH]c(-c3ccc(CNc4ccc(-c5nn[n-]n5)cn4)cc3)nc2c1 ZINC000738433380 598538498 /nfs/dbraw/zinc/53/84/98/598538498.db2.gz RRHSJTZXPYCLPT-UHFFFAOYSA-N -1 3 368.404 3.417 20 0 FGADHM CC(C)CN(Cc1noc2c1CCCC2)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000735831036 598538938 /nfs/dbraw/zinc/53/89/38/598538938.db2.gz MIHFRAYGBAYWPV-UHFFFAOYSA-N -1 3 366.469 3.392 20 0 FGADHM CC(C)CC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735755863 598542811 /nfs/dbraw/zinc/54/28/11/598542811.db2.gz IPKZAPCYMMKTOY-UHFFFAOYSA-N -1 3 351.410 3.430 20 0 FGADHM CC(C)CC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735755863 598542813 /nfs/dbraw/zinc/54/28/13/598542813.db2.gz IPKZAPCYMMKTOY-UHFFFAOYSA-N -1 3 351.410 3.430 20 0 FGADHM CC(C)CCSCC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000735819722 598544609 /nfs/dbraw/zinc/54/46/09/598544609.db2.gz JUJZWUHOWWXOJM-UHFFFAOYSA-N -1 3 371.413 3.186 20 0 FGADHM CC(C)CCSCC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000735819722 598544611 /nfs/dbraw/zinc/54/46/11/598544611.db2.gz JUJZWUHOWWXOJM-UHFFFAOYSA-N -1 3 371.413 3.186 20 0 FGADHM Fc1cc(OCc2c(F)c(F)c(F)c(F)c2F)ccc1-c1nnn[n-]1 ZINC000737653820 598548288 /nfs/dbraw/zinc/54/82/88/598548288.db2.gz SDLIWCBIADBNBU-UHFFFAOYSA-N -1 3 360.217 3.280 20 0 FGADHM Fc1cc(OCc2c(F)c(F)c(F)c(F)c2F)ccc1-c1nn[n-]n1 ZINC000737653820 598548290 /nfs/dbraw/zinc/54/82/90/598548290.db2.gz SDLIWCBIADBNBU-UHFFFAOYSA-N -1 3 360.217 3.280 20 0 FGADHM CSC[C@@H](C)C(=O)Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737179452 598552125 /nfs/dbraw/zinc/55/21/25/598552125.db2.gz KLKUUEVZLIXPSN-GFCCVEGCSA-N -1 3 354.435 3.438 20 0 FGADHM CSC[C@@H](C)C(=O)Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737179452 598552126 /nfs/dbraw/zinc/55/21/26/598552126.db2.gz KLKUUEVZLIXPSN-GFCCVEGCSA-N -1 3 354.435 3.438 20 0 FGADHM Cc1cc(F)cc2c1N(C(=O)C=Cc1ccccc1-c1nnn[n-]1)CCC2 ZINC000737261895 598554244 /nfs/dbraw/zinc/55/42/44/598554244.db2.gz CGQLUNJBUASMQU-CMDGGOBGSA-N -1 3 363.396 3.307 20 0 FGADHM Cc1cc(F)cc2c1N(C(=O)C=Cc1ccccc1-c1nn[n-]n1)CCC2 ZINC000737261895 598554246 /nfs/dbraw/zinc/55/42/46/598554246.db2.gz CGQLUNJBUASMQU-CMDGGOBGSA-N -1 3 363.396 3.307 20 0 FGADHM COC(C)(C)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736957504 598554677 /nfs/dbraw/zinc/55/46/77/598554677.db2.gz HYQIYOIWRQCXKA-UHFFFAOYSA-N -1 3 353.382 3.023 20 0 FGADHM COC(C)(C)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736957504 598554680 /nfs/dbraw/zinc/55/46/80/598554680.db2.gz HYQIYOIWRQCXKA-UHFFFAOYSA-N -1 3 353.382 3.023 20 0 FGADHM Cc1ccc(C)c(CC(=O)OCCCOc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737322162 598559354 /nfs/dbraw/zinc/55/93/54/598559354.db2.gz IMBDFOMXMOCJGY-UHFFFAOYSA-N -1 3 366.421 3.038 20 0 FGADHM C[C@@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1)C(C)(C)c1ccccc1 ZINC000736120128 598561739 /nfs/dbraw/zinc/56/17/39/598561739.db2.gz XIOBDJVLBDMZKD-CQSZACIVSA-N -1 3 364.453 3.032 20 0 FGADHM C[C@@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1)C(C)(C)c1ccccc1 ZINC000736120128 598561740 /nfs/dbraw/zinc/56/17/40/598561740.db2.gz XIOBDJVLBDMZKD-CQSZACIVSA-N -1 3 364.453 3.032 20 0 FGADHM CC[C@@H](C)[C@H](C)NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000736327382 598561991 /nfs/dbraw/zinc/56/19/91/598561991.db2.gz FBYBPFRKUFAFPD-BDAKNGLRSA-N -1 3 354.361 3.024 20 0 FGADHM CC[C@@H](C)[C@H](C)NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000736327382 598561992 /nfs/dbraw/zinc/56/19/92/598561992.db2.gz FBYBPFRKUFAFPD-BDAKNGLRSA-N -1 3 354.361 3.024 20 0 FGADHM C[C@@H]1C[C@@H]1CNC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736235868 598562960 /nfs/dbraw/zinc/56/29/60/598562960.db2.gz HPFLVKSOFFMHRU-TZMCWYRMSA-N -1 3 364.409 3.437 20 0 FGADHM C[C@@H]1C[C@@H]1CNC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736235868 598562961 /nfs/dbraw/zinc/56/29/61/598562961.db2.gz HPFLVKSOFFMHRU-TZMCWYRMSA-N -1 3 364.409 3.437 20 0 FGADHM CN(C(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000736733418 598569485 /nfs/dbraw/zinc/56/94/85/598569485.db2.gz UKKXQFHKCSHDHG-NWDGAFQWSA-N -1 3 373.338 3.051 20 0 FGADHM CN(C(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736733418 598569487 /nfs/dbraw/zinc/56/94/87/598569487.db2.gz UKKXQFHKCSHDHG-NWDGAFQWSA-N -1 3 373.338 3.051 20 0 FGADHM O=C(CCCCCc1cccs1)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737823734 598570365 /nfs/dbraw/zinc/57/03/65/598570365.db2.gz AHLFYRGWODAOGC-UHFFFAOYSA-N -1 3 373.457 3.487 20 0 FGADHM O=C(CCCCCc1cccs1)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737823734 598570367 /nfs/dbraw/zinc/57/03/67/598570367.db2.gz AHLFYRGWODAOGC-UHFFFAOYSA-N -1 3 373.457 3.487 20 0 FGADHM O=C(Oc1cccc(Cl)c1)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738247260 598571332 /nfs/dbraw/zinc/57/13/32/598571332.db2.gz PITVBVJWIBGABQ-INIZCTEOSA-N -1 3 369.812 3.095 20 0 FGADHM CCc1ccccc1NC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000736701700 598574524 /nfs/dbraw/zinc/57/45/24/598574524.db2.gz HDPOJEJIJUAUIL-SFHVURJKSA-N -1 3 362.437 3.037 20 0 FGADHM O=C(CCc1ccc(OC(F)F)cc1)Nc1ccccc1-c1nnn[n-]1 ZINC000737857880 598575470 /nfs/dbraw/zinc/57/54/70/598575470.db2.gz WEULTVQSQHRYDS-UHFFFAOYSA-N -1 3 359.336 3.039 20 0 FGADHM O=C(CCc1ccc(OC(F)F)cc1)Nc1ccccc1-c1nn[n-]n1 ZINC000737857880 598575471 /nfs/dbraw/zinc/57/54/71/598575471.db2.gz WEULTVQSQHRYDS-UHFFFAOYSA-N -1 3 359.336 3.039 20 0 FGADHM Cc1cc(C)c(-c2nnn[n-]2)c(NC[C@H](O)c2ccc3ccccc3c2)n1 ZINC000737239227 598580222 /nfs/dbraw/zinc/58/02/22/598580222.db2.gz BOXJHEXMHGVLKB-KRWDZBQOSA-N -1 3 360.421 3.177 20 0 FGADHM Cc1cc(C)c(-c2nn[n-]n2)c(NC[C@H](O)c2ccc3ccccc3c2)n1 ZINC000737239227 598580223 /nfs/dbraw/zinc/58/02/23/598580223.db2.gz BOXJHEXMHGVLKB-KRWDZBQOSA-N -1 3 360.421 3.177 20 0 FGADHM CCCCN(C)c1ccc(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000736453537 598583011 /nfs/dbraw/zinc/58/30/11/598583011.db2.gz QBYZMXZVIXNQBO-UHFFFAOYSA-N -1 3 368.416 3.494 20 0 FGADHM CCCCN(C)c1ccc(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000736453537 598583012 /nfs/dbraw/zinc/58/30/12/598583012.db2.gz QBYZMXZVIXNQBO-UHFFFAOYSA-N -1 3 368.416 3.494 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)O[C@H]1CCCc2ccccc2C1=O ZINC000737801202 598584009 /nfs/dbraw/zinc/58/40/09/598584009.db2.gz MQGPXVPCMGRWLQ-SQVRQVGWSA-N -1 3 374.400 3.011 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)O[C@H]1CCCc2ccccc2C1=O ZINC000737801202 598584010 /nfs/dbraw/zinc/58/40/10/598584010.db2.gz MQGPXVPCMGRWLQ-SQVRQVGWSA-N -1 3 374.400 3.011 20 0 FGADHM O=C(CSc1ccc(Cl)cc1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737947164 598590714 /nfs/dbraw/zinc/59/07/14/598590714.db2.gz LGSJLAHBKRFZCZ-UHFFFAOYSA-N -1 3 363.805 3.390 20 0 FGADHM O=C(CSc1ccc(Cl)cc1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737947164 598590715 /nfs/dbraw/zinc/59/07/15/598590715.db2.gz LGSJLAHBKRFZCZ-UHFFFAOYSA-N -1 3 363.805 3.390 20 0 FGADHM Cc1cc(C)c(-c2nnn[n-]2)c(N[C@H](c2ccccc2)c2ccccn2)n1 ZINC000737245415 598592472 /nfs/dbraw/zinc/59/24/72/598592472.db2.gz OENJGMNSJIQXFW-GOSISDBHSA-N -1 3 357.421 3.475 20 0 FGADHM Cc1cc(C)c(-c2nn[n-]n2)c(N[C@H](c2ccccc2)c2ccccn2)n1 ZINC000737245415 598592474 /nfs/dbraw/zinc/59/24/74/598592474.db2.gz OENJGMNSJIQXFW-GOSISDBHSA-N -1 3 357.421 3.475 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1cccc(Br)c1 ZINC000738166591 598592741 /nfs/dbraw/zinc/59/27/41/598592741.db2.gz KKTPWUUFEGPAAT-UHFFFAOYSA-N -1 3 362.162 3.021 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1cccc(Br)c1 ZINC000738166591 598592744 /nfs/dbraw/zinc/59/27/44/598592744.db2.gz KKTPWUUFEGPAAT-UHFFFAOYSA-N -1 3 362.162 3.021 20 0 FGADHM Cc1cccc(OC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737400266 598645238 /nfs/dbraw/zinc/64/52/38/598645238.db2.gz RPLQCLBAIYGAAT-UHFFFAOYSA-N -1 3 352.394 3.330 20 0 FGADHM Cc1cccc(OC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737400266 598645239 /nfs/dbraw/zinc/64/52/39/598645239.db2.gz RPLQCLBAIYGAAT-UHFFFAOYSA-N -1 3 352.394 3.330 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)C=C(C)c1cccc(F)c1 ZINC000736628657 598646037 /nfs/dbraw/zinc/64/60/37/598646037.db2.gz SKLPFAMWZZCBLY-FMIVXFBMSA-N -1 3 368.368 3.413 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)C=C(C)c1cccc(F)c1 ZINC000736628657 598646039 /nfs/dbraw/zinc/64/60/39/598646039.db2.gz SKLPFAMWZZCBLY-FMIVXFBMSA-N -1 3 368.368 3.413 20 0 FGADHM CN(C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1)c1ccccc1 ZINC000736742937 598647825 /nfs/dbraw/zinc/64/78/25/598647825.db2.gz UUWFSMVNVFNSEZ-UHFFFAOYSA-N -1 3 372.388 3.331 20 0 FGADHM CN(C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1)c1ccccc1 ZINC000736742937 598647827 /nfs/dbraw/zinc/64/78/27/598647827.db2.gz UUWFSMVNVFNSEZ-UHFFFAOYSA-N -1 3 372.388 3.331 20 0 FGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)OCc1ccccc1Cl ZINC000737946912 598647893 /nfs/dbraw/zinc/64/78/93/598647893.db2.gz IYCRHIGAGVPWTQ-UHFFFAOYSA-N -1 3 360.826 3.356 20 0 FGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)OCc1ccccc1Cl ZINC000737946912 598647895 /nfs/dbraw/zinc/64/78/95/598647895.db2.gz IYCRHIGAGVPWTQ-UHFFFAOYSA-N -1 3 360.826 3.356 20 0 FGADHM CC[C@@H](CNC(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000736349670 598648228 /nfs/dbraw/zinc/64/82/28/598648228.db2.gz HVFLQRIWCONGTP-AWEZNQCLSA-N -1 3 367.478 3.269 20 0 FGADHM CC[C@@H](CNC(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000736349670 598648229 /nfs/dbraw/zinc/64/82/29/598648229.db2.gz HVFLQRIWCONGTP-AWEZNQCLSA-N -1 3 367.478 3.269 20 0 FGADHM CC(C)[C@H](C)N(C)C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000735703602 598649038 /nfs/dbraw/zinc/64/90/38/598649038.db2.gz VIGHEEDSJIZGRU-ZDUSSCGKSA-N -1 3 366.425 3.171 20 0 FGADHM CC(C)[C@H](C)N(C)C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000735703602 598649039 /nfs/dbraw/zinc/64/90/39/598649039.db2.gz VIGHEEDSJIZGRU-ZDUSSCGKSA-N -1 3 366.425 3.171 20 0 FGADHM CC(C(=O)Nc1ccc(-c2nnn[n-]2)cn1)(c1ccccc1)c1ccccc1 ZINC000735552750 598660695 /nfs/dbraw/zinc/66/06/95/598660695.db2.gz YWNUZZKNUGXXMB-UHFFFAOYSA-N -1 3 370.416 3.206 20 0 FGADHM CC(C(=O)Nc1ccc(-c2nn[n-]n2)cn1)(c1ccccc1)c1ccccc1 ZINC000735552750 598660696 /nfs/dbraw/zinc/66/06/96/598660696.db2.gz YWNUZZKNUGXXMB-UHFFFAOYSA-N -1 3 370.416 3.206 20 0 FGADHM Clc1cc(NCCc2ccn(-c3ccccc3)n2)ccc1-c1nnn[n-]1 ZINC000737566408 598669710 /nfs/dbraw/zinc/66/97/10/598669710.db2.gz RXZRSJUYQPVWPE-UHFFFAOYSA-N -1 3 365.828 3.360 20 0 FGADHM Clc1cc(NCCc2ccn(-c3ccccc3)n2)ccc1-c1nn[n-]n1 ZINC000737566408 598669712 /nfs/dbraw/zinc/66/97/12/598669712.db2.gz RXZRSJUYQPVWPE-UHFFFAOYSA-N -1 3 365.828 3.360 20 0 FGADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)Nc1ccc(Oc2ccccc2)cn1 ZINC000737961112 598672072 /nfs/dbraw/zinc/67/20/72/598672072.db2.gz LUEBLVYNXHPNSN-UHFFFAOYSA-N -1 3 372.388 3.235 20 0 FGADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)Nc1ccc(Oc2ccccc2)cn1 ZINC000737961112 598672074 /nfs/dbraw/zinc/67/20/74/598672074.db2.gz LUEBLVYNXHPNSN-UHFFFAOYSA-N -1 3 372.388 3.235 20 0 FGADHM Clc1cc(N2CCCO[C@H](c3ccccc3)C2)ccc1-c1nnn[n-]1 ZINC000737562997 598673284 /nfs/dbraw/zinc/67/32/84/598673284.db2.gz CDIVNNXGFLBMKZ-KRWDZBQOSA-N -1 3 355.829 3.488 20 0 FGADHM Clc1cc(N2CCCO[C@H](c3ccccc3)C2)ccc1-c1nn[n-]n1 ZINC000737562997 598673286 /nfs/dbraw/zinc/67/32/86/598673286.db2.gz CDIVNNXGFLBMKZ-KRWDZBQOSA-N -1 3 355.829 3.488 20 0 FGADHM CC1(C)CCCN1C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000736210385 598687966 /nfs/dbraw/zinc/68/79/66/598687966.db2.gz FROSPRYEQDPNAE-UHFFFAOYSA-N -1 3 364.409 3.069 20 0 FGADHM CC1(C)CCCN1C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000736210385 598687968 /nfs/dbraw/zinc/68/79/68/598687968.db2.gz FROSPRYEQDPNAE-UHFFFAOYSA-N -1 3 364.409 3.069 20 0 FGADHM CC(C)NC(=O)c1ccc(Cl)c(NCc2ccccc2-c2nnn[n-]2)c1 ZINC000735889322 598699254 /nfs/dbraw/zinc/69/92/54/598699254.db2.gz YVUWHLWKQAXMIU-UHFFFAOYSA-N -1 3 370.844 3.270 20 0 FGADHM CC(C)NC(=O)c1ccc(Cl)c(NCc2ccccc2-c2nn[n-]n2)c1 ZINC000735889322 598699256 /nfs/dbraw/zinc/69/92/56/598699256.db2.gz YVUWHLWKQAXMIU-UHFFFAOYSA-N -1 3 370.844 3.270 20 0 FGADHM Cc1ccc2c(CC(=O)OCc3ccc(F)cc3-c3nnn[n-]3)coc2c1 ZINC000737371698 598702968 /nfs/dbraw/zinc/70/29/68/598702968.db2.gz IRNWMRIMPXTFKL-UHFFFAOYSA-N -1 3 366.352 3.346 20 0 FGADHM Cc1ccc2c(CC(=O)OCc3ccc(F)cc3-c3nn[n-]n3)coc2c1 ZINC000737371698 598702969 /nfs/dbraw/zinc/70/29/69/598702969.db2.gz IRNWMRIMPXTFKL-UHFFFAOYSA-N -1 3 366.352 3.346 20 0 FGADHM Cc1cc(F)ccc1N(Cc1cccc(-c2nnn[n-]2)c1)C[C@@H]1CCOC1 ZINC000737271110 598703981 /nfs/dbraw/zinc/70/39/81/598703981.db2.gz RNYAJVYFMAFEAA-INIZCTEOSA-N -1 3 367.428 3.357 20 0 FGADHM Cc1cc(F)ccc1N(Cc1cccc(-c2nn[n-]n2)c1)C[C@@H]1CCOC1 ZINC000737271110 598703982 /nfs/dbraw/zinc/70/39/82/598703982.db2.gz RNYAJVYFMAFEAA-INIZCTEOSA-N -1 3 367.428 3.357 20 0 FGADHM Cn1c(Cl)c(Cl)cc1C(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737594310 598706804 /nfs/dbraw/zinc/70/68/04/598706804.db2.gz UIMANZDRCBVISD-UHFFFAOYSA-N -1 3 370.171 3.008 20 0 FGADHM Cn1c(Cl)c(Cl)cc1C(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737594310 598706806 /nfs/dbraw/zinc/70/68/06/598706806.db2.gz UIMANZDRCBVISD-UHFFFAOYSA-N -1 3 370.171 3.008 20 0 FGADHM CC(=CC(=O)OCc1ccc(F)cc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000735448585 598710339 /nfs/dbraw/zinc/71/03/39/598710339.db2.gz SKRUJCJBNATMGI-DHZHZOJOSA-N -1 3 356.332 3.292 20 0 FGADHM CC(=CC(=O)OCc1ccc(F)cc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000735448585 598710341 /nfs/dbraw/zinc/71/03/41/598710341.db2.gz SKRUJCJBNATMGI-DHZHZOJOSA-N -1 3 356.332 3.292 20 0 FGADHM O=C(CCCOCc1ccccc1)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737838037 598711478 /nfs/dbraw/zinc/71/14/78/598711478.db2.gz XPWBAPLEOUSNMZ-UHFFFAOYSA-N -1 3 370.384 3.046 20 0 FGADHM O=C(CCCOCc1ccccc1)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737838037 598711480 /nfs/dbraw/zinc/71/14/80/598711480.db2.gz XPWBAPLEOUSNMZ-UHFFFAOYSA-N -1 3 370.384 3.046 20 0 FGADHM CCc1nc([C@@H](C)NC(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000736701097 598715668 /nfs/dbraw/zinc/71/56/68/598715668.db2.gz ZATRRJAORJFQRR-WDEREUQCSA-N -1 3 371.470 3.007 20 0 FGADHM CCc1nc([C@@H](C)NC(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000736701097 598715670 /nfs/dbraw/zinc/71/56/70/598715670.db2.gz ZATRRJAORJFQRR-WDEREUQCSA-N -1 3 371.470 3.007 20 0 FGADHM COc1ccc([C@@H](C)OC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1Cl ZINC000737077844 598729477 /nfs/dbraw/zinc/72/94/77/598729477.db2.gz ZTWUVXUMVVMKFU-SNVBAGLBSA-N -1 3 358.785 3.447 20 0 FGADHM COc1ccc([C@@H](C)OC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC000737077844 598729479 /nfs/dbraw/zinc/72/94/79/598729479.db2.gz ZTWUVXUMVVMKFU-SNVBAGLBSA-N -1 3 358.785 3.447 20 0 FGADHM Cc1cc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(C)C)ccc1F ZINC000737236437 598736886 /nfs/dbraw/zinc/73/68/86/598736886.db2.gz KQAXILAKVSYGLE-UHFFFAOYSA-N -1 3 355.373 3.354 20 0 FGADHM Cc1cc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(C)C)ccc1F ZINC000737236437 598736887 /nfs/dbraw/zinc/73/68/87/598736887.db2.gz KQAXILAKVSYGLE-UHFFFAOYSA-N -1 3 355.373 3.354 20 0 FGADHM Fc1cc(-c2nnn[n-]2)cc(F)c1NCc1cc(-c2ccccc2)no1 ZINC000737640459 598744950 /nfs/dbraw/zinc/74/49/50/598744950.db2.gz XXBLUZHCKAWVTK-UHFFFAOYSA-N -1 3 354.320 3.412 20 0 FGADHM Fc1cc(-c2nn[n-]n2)cc(F)c1NCc1cc(-c2ccccc2)no1 ZINC000737640459 598744952 /nfs/dbraw/zinc/74/49/52/598744952.db2.gz XXBLUZHCKAWVTK-UHFFFAOYSA-N -1 3 354.320 3.412 20 0 FGADHM CCS[C@@H]1CCCCN(C(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736665004 598750359 /nfs/dbraw/zinc/75/03/59/598750359.db2.gz NJIOJYXFIOIYEZ-XJKSGUPXSA-N -1 3 374.514 3.245 20 0 FGADHM CCS[C@@H]1CCCCN(C(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736665004 598750360 /nfs/dbraw/zinc/75/03/60/598750360.db2.gz NJIOJYXFIOIYEZ-XJKSGUPXSA-N -1 3 374.514 3.245 20 0 FGADHM C[C@H](Cc1ccccc1)C(=O)OCc1cn2ccccc2c1-c1nnn[n-]1 ZINC000736058840 598750444 /nfs/dbraw/zinc/75/04/44/598750444.db2.gz PSRVLNCXVMILGV-CQSZACIVSA-N -1 3 361.405 3.041 20 0 FGADHM C[C@H](Cc1ccccc1)C(=O)OCc1cn2ccccc2c1-c1nn[n-]n1 ZINC000736058840 598750445 /nfs/dbraw/zinc/75/04/45/598750445.db2.gz PSRVLNCXVMILGV-CQSZACIVSA-N -1 3 361.405 3.041 20 0 FGADHM O=C(OCc1cc(-c2nnn[n-]2)ccc1F)c1cnc(-c2ccco2)s1 ZINC000738236552 598781304 /nfs/dbraw/zinc/78/13/04/598781304.db2.gz NTLMCHXYWLQMMV-UHFFFAOYSA-N -1 3 371.353 3.079 20 0 FGADHM O=C(OCc1cc(-c2nn[n-]n2)ccc1F)c1cnc(-c2ccco2)s1 ZINC000738236552 598781305 /nfs/dbraw/zinc/78/13/05/598781305.db2.gz NTLMCHXYWLQMMV-UHFFFAOYSA-N -1 3 371.353 3.079 20 0 FGADHM CCC[C@H](NC(=S)Nc1ccccc1-c1nnn[n-]1)c1ccccn1 ZINC000736435753 598788991 /nfs/dbraw/zinc/78/89/91/598788991.db2.gz LRFBJWHUHLAPTH-HNNXBMFYSA-N -1 3 353.455 3.090 20 0 FGADHM CCC[C@H](NC(=S)Nc1ccccc1-c1nn[n-]n1)c1ccccn1 ZINC000736435753 598788993 /nfs/dbraw/zinc/78/89/93/598788993.db2.gz LRFBJWHUHLAPTH-HNNXBMFYSA-N -1 3 353.455 3.090 20 0 FGADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCC2)[C@H]1CCc2ccccc21 ZINC000738206923 598791359 /nfs/dbraw/zinc/79/13/59/598791359.db2.gz ICIFHMRRTFPPEE-LBPRGKRZSA-N -1 3 351.435 3.085 20 0 FGADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCC2)[C@H]1CCc2ccccc21 ZINC000738206923 598791360 /nfs/dbraw/zinc/79/13/60/598791360.db2.gz ICIFHMRRTFPPEE-LBPRGKRZSA-N -1 3 351.435 3.085 20 0 FGADHM FC(F)Oc1cccc(Cl)c1CNCc1ccc(-c2nn[n-]n2)cc1 ZINC000737639301 598799180 /nfs/dbraw/zinc/79/91/80/598799180.db2.gz QQLHTXAVORYQIB-UHFFFAOYSA-N -1 3 365.771 3.411 20 0 FGADHM O=C(CCSc1ccc(Cl)cc1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000737850256 598805198 /nfs/dbraw/zinc/80/51/98/598805198.db2.gz PAKZMRZNCAKKPT-UHFFFAOYSA-N -1 3 360.830 3.036 20 0 FGADHM O=C(CCSc1ccc(Cl)cc1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000737850256 598805199 /nfs/dbraw/zinc/80/51/99/598805199.db2.gz PAKZMRZNCAKKPT-UHFFFAOYSA-N -1 3 360.830 3.036 20 0 FGADHM Brc1ccc2ncnc(Oc3ccc(-c4nn[n-]n4)cc3)c2c1 ZINC000735368228 598813124 /nfs/dbraw/zinc/81/31/24/598813124.db2.gz ILUNZPQRHHKLOL-UHFFFAOYSA-N -1 3 369.182 3.365 20 0 FGADHM c1ccc(-c2nccc(N(Cc3ccc(-c4nnn[n-]4)cc3)C3CC3)n2)cc1 ZINC000738421122 598815864 /nfs/dbraw/zinc/81/58/64/598815864.db2.gz BXDXWCXZJVBSHC-UHFFFAOYSA-N -1 3 369.432 3.493 20 0 FGADHM c1ccc(-c2nccc(N(Cc3ccc(-c4nn[n-]n4)cc3)C3CC3)n2)cc1 ZINC000738421122 598815865 /nfs/dbraw/zinc/81/58/65/598815865.db2.gz BXDXWCXZJVBSHC-UHFFFAOYSA-N -1 3 369.432 3.493 20 0 FGADHM O=C(CCCCCc1ccc(O)cc1)OCc1ccccc1-c1nnn[n-]1 ZINC000737826110 598816392 /nfs/dbraw/zinc/81/63/92/598816392.db2.gz PQYJRERYLIZNBT-UHFFFAOYSA-N -1 3 366.421 3.419 20 0 FGADHM O=C(CCCCCc1ccc(O)cc1)OCc1ccccc1-c1nn[n-]n1 ZINC000737826110 598816393 /nfs/dbraw/zinc/81/63/93/598816393.db2.gz PQYJRERYLIZNBT-UHFFFAOYSA-N -1 3 366.421 3.419 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)Cc1ccccc1C(F)(F)F ZINC000737292571 598820783 /nfs/dbraw/zinc/82/07/83/598820783.db2.gz VRRRYUSIKVAMNR-UHFFFAOYSA-N -1 3 361.327 3.375 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)Cc1ccccc1C(F)(F)F ZINC000737292571 598820785 /nfs/dbraw/zinc/82/07/85/598820785.db2.gz VRRRYUSIKVAMNR-UHFFFAOYSA-N -1 3 361.327 3.375 20 0 FGADHM C[C@H]1SCCN(C(=O)c2sccc2-c2nnn[n-]2)[C@H]1c1ccccc1 ZINC000736304424 599302823 /nfs/dbraw/zinc/30/28/23/599302823.db2.gz VXMYNSKEZYNPAD-BXUZGUMPSA-N -1 3 371.491 3.247 20 0 FGADHM C[C@H]1SCCN(C(=O)c2sccc2-c2nn[n-]n2)[C@H]1c1ccccc1 ZINC000736304424 599302825 /nfs/dbraw/zinc/30/28/25/599302825.db2.gz VXMYNSKEZYNPAD-BXUZGUMPSA-N -1 3 371.491 3.247 20 0 FGADHM C[C@@H]1SCCN(C(=O)c2cccc(-c3nnn[n-]3)c2)[C@H]1c1ccccc1 ZINC000736303753 599303174 /nfs/dbraw/zinc/30/31/74/599303174.db2.gz SNQXRQGTKNKHKC-SUMWQHHRSA-N -1 3 365.462 3.186 20 0 FGADHM C[C@@H]1SCCN(C(=O)c2cccc(-c3nn[n-]n3)c2)[C@H]1c1ccccc1 ZINC000736303753 599303176 /nfs/dbraw/zinc/30/31/76/599303176.db2.gz SNQXRQGTKNKHKC-SUMWQHHRSA-N -1 3 365.462 3.186 20 0 FGADHM CC(C)(C)[C@H]1OCCC[C@@H]1CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC000735597170 599304402 /nfs/dbraw/zinc/30/44/02/599304402.db2.gz MVCPUXASBJCJDO-MFKMUULPSA-N -1 3 350.854 3.168 20 0 FGADHM CC(C)(C)[C@H]1OCCC[C@@H]1CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC000735597170 599304406 /nfs/dbraw/zinc/30/44/06/599304406.db2.gz MVCPUXASBJCJDO-MFKMUULPSA-N -1 3 350.854 3.168 20 0 FGADHM O[C@@H](CNc1cccc(F)c1-c1nnn[n-]1)c1cc(Cl)cc(Cl)c1 ZINC000738380944 599306228 /nfs/dbraw/zinc/30/62/28/599306228.db2.gz DVKYKJZRWPEFEK-ZDUSSCGKSA-N -1 3 368.199 3.458 20 0 FGADHM O[C@@H](CNc1cccc(F)c1-c1nn[n-]n1)c1cc(Cl)cc(Cl)c1 ZINC000738380944 599306231 /nfs/dbraw/zinc/30/62/31/599306231.db2.gz DVKYKJZRWPEFEK-ZDUSSCGKSA-N -1 3 368.199 3.458 20 0 FGADHM CN(C(=O)COc1ccc2ccccc2c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736737367 599307284 /nfs/dbraw/zinc/30/72/84/599307284.db2.gz PIYVLPMXXOZSNN-UHFFFAOYSA-N -1 3 359.389 3.062 20 0 FGADHM CN(C(=O)COc1ccc2ccccc2c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736737367 599307286 /nfs/dbraw/zinc/30/72/86/599307286.db2.gz PIYVLPMXXOZSNN-UHFFFAOYSA-N -1 3 359.389 3.062 20 0 FGADHM c1ccc(-c2nnn[n-]2)c(COc2cccc(-c3nc(CC4CC4)no3)c2)c1 ZINC000823761971 599310622 /nfs/dbraw/zinc/31/06/22/599310622.db2.gz CIHHUMIENYBRQE-UHFFFAOYSA-N -1 3 374.404 3.448 20 0 FGADHM c1ccc(-c2nn[n-]n2)c(COc2cccc(-c3nc(CC4CC4)no3)c2)c1 ZINC000823761971 599310626 /nfs/dbraw/zinc/31/06/26/599310626.db2.gz CIHHUMIENYBRQE-UHFFFAOYSA-N -1 3 374.404 3.448 20 0 FGADHM c1cc(COc2cccc(-c3nnn[n-]3)c2)cc(-c2nc(CC3CC3)no2)c1 ZINC000823761977 599310641 /nfs/dbraw/zinc/31/06/41/599310641.db2.gz CNCHAEUTAPIFMB-UHFFFAOYSA-N -1 3 374.404 3.448 20 0 FGADHM c1cc(COc2cccc(-c3nn[n-]n3)c2)cc(-c2nc(CC3CC3)no2)c1 ZINC000823761977 599310644 /nfs/dbraw/zinc/31/06/44/599310644.db2.gz CNCHAEUTAPIFMB-UHFFFAOYSA-N -1 3 374.404 3.448 20 0 FGADHM Cc1cc(Br)ccc1NCCOc1cccc(-c2nnn[n-]2)c1 ZINC000737231972 599326309 /nfs/dbraw/zinc/32/63/09/599326309.db2.gz VTLXIAJLHHPJQB-UHFFFAOYSA-N -1 3 374.242 3.429 20 0 FGADHM Cc1cc(Br)ccc1NCCOc1cccc(-c2nn[n-]n2)c1 ZINC000737231972 599326311 /nfs/dbraw/zinc/32/63/11/599326311.db2.gz VTLXIAJLHHPJQB-UHFFFAOYSA-N -1 3 374.242 3.429 20 0 FGADHM C[C@H](SCC(=O)NCc1ccc(F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736188199 599330514 /nfs/dbraw/zinc/33/05/14/599330514.db2.gz JAFPYYHNCPABQK-LBPRGKRZSA-N -1 3 371.441 3.116 20 0 FGADHM C[C@H](SCC(=O)NCc1ccc(F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736188199 599330517 /nfs/dbraw/zinc/33/05/17/599330517.db2.gz JAFPYYHNCPABQK-LBPRGKRZSA-N -1 3 371.441 3.116 20 0 FGADHM C[C@@H](SCC(=O)NC1CCC(C)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736238764 599330879 /nfs/dbraw/zinc/33/08/79/599330879.db2.gz CXAXYOLFGMZLIB-MFOWVQHXSA-N -1 3 359.499 3.356 20 0 FGADHM C[C@@H](SCC(=O)NC1CCC(C)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736238764 599330881 /nfs/dbraw/zinc/33/08/81/599330881.db2.gz CXAXYOLFGMZLIB-MFOWVQHXSA-N -1 3 359.499 3.356 20 0 FGADHM Fc1ccc(NCc2csc(Br)c2)cc1-c1nnn[n-]1 ZINC000737657008 599331613 /nfs/dbraw/zinc/33/16/13/599331613.db2.gz SDADEQHTIMIYHV-UHFFFAOYSA-N -1 3 354.208 3.442 20 0 FGADHM Fc1ccc(NCc2csc(Br)c2)cc1-c1nn[n-]n1 ZINC000737657008 599331616 /nfs/dbraw/zinc/33/16/16/599331616.db2.gz SDADEQHTIMIYHV-UHFFFAOYSA-N -1 3 354.208 3.442 20 0 FGADHM CC(C)c1noc(CNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)n1 ZINC000735953508 599332580 /nfs/dbraw/zinc/33/25/80/599332580.db2.gz VLBLYXBZTRTEON-UHFFFAOYSA-N -1 3 353.308 3.004 20 0 FGADHM CC(C)c1noc(CNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)n1 ZINC000735953508 599332582 /nfs/dbraw/zinc/33/25/82/599332582.db2.gz VLBLYXBZTRTEON-UHFFFAOYSA-N -1 3 353.308 3.004 20 0 FGADHM C[C@H](SC1=Nc2ccccc2C1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000736189438 599339780 /nfs/dbraw/zinc/33/97/80/599339780.db2.gz POLSIGZJJLMLRZ-NSHDSACASA-N -1 3 364.434 3.213 20 0 FGADHM C[C@H](SC1=Nc2ccccc2C1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000736189438 599339783 /nfs/dbraw/zinc/33/97/83/599339783.db2.gz POLSIGZJJLMLRZ-NSHDSACASA-N -1 3 364.434 3.213 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1OS(=O)(=O)c1cccc(C(C)C)c1 ZINC000822137949 599343095 /nfs/dbraw/zinc/34/30/95/599343095.db2.gz YNKXMDGSQRPJIJ-UHFFFAOYSA-N -1 3 358.423 3.066 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1OS(=O)(=O)c1cccc(C(C)C)c1 ZINC000822137949 599343097 /nfs/dbraw/zinc/34/30/97/599343097.db2.gz YNKXMDGSQRPJIJ-UHFFFAOYSA-N -1 3 358.423 3.066 20 0 FGADHM CC(C)[C@H](Sc1ccccc1-c1nnn[n-]1)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000820650164 599346890 /nfs/dbraw/zinc/34/68/90/599346890.db2.gz RHFLRFUPZUQABM-VBQJREDUSA-N -1 3 373.526 3.488 20 0 FGADHM CC(C)[C@H](Sc1ccccc1-c1nn[n-]n1)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000820650164 599346892 /nfs/dbraw/zinc/34/68/92/599346892.db2.gz RHFLRFUPZUQABM-VBQJREDUSA-N -1 3 373.526 3.488 20 0 FGADHM CSc1nc2ncnc(N[C@@H](C)c3cccc(-c4nnn[n-]4)c3)c2s1 ZINC000821988569 599353199 /nfs/dbraw/zinc/35/31/99/599353199.db2.gz FGTIZWBKLVHPTE-QMMMGPOBSA-N -1 3 370.467 3.161 20 0 FGADHM CSc1nc2ncnc(N[C@@H](C)c3cccc(-c4nn[n-]n4)c3)c2s1 ZINC000821988569 599353200 /nfs/dbraw/zinc/35/32/00/599353200.db2.gz FGTIZWBKLVHPTE-QMMMGPOBSA-N -1 3 370.467 3.161 20 0 FGADHM Cc1ccc(C=CS(=O)(=O)Oc2c(C)cc(-c3nnn[n-]3)cc2C)cc1 ZINC000822233995 599363966 /nfs/dbraw/zinc/36/39/66/599363966.db2.gz ZIJWPEFGMIEDFK-HJWRWDBZSA-N -1 3 370.434 3.171 20 0 FGADHM Cc1ccc(C=CS(=O)(=O)Oc2c(C)cc(-c3nn[n-]n3)cc2C)cc1 ZINC000822233995 599363969 /nfs/dbraw/zinc/36/39/69/599363969.db2.gz ZIJWPEFGMIEDFK-HJWRWDBZSA-N -1 3 370.434 3.171 20 0 FGADHM COCCOCc1cccc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821692947 599369764 /nfs/dbraw/zinc/36/97/64/599369764.db2.gz KOLVGNGTHGTZTH-CQSZACIVSA-N -1 3 353.426 3.203 20 0 FGADHM COCCOCc1cccc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821692947 599369768 /nfs/dbraw/zinc/36/97/68/599369768.db2.gz KOLVGNGTHGTZTH-CQSZACIVSA-N -1 3 353.426 3.203 20 0 FGADHM COC(=O)[C@@H](C)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)c(Cl)c1 ZINC000821638591 599369775 /nfs/dbraw/zinc/36/97/75/599369775.db2.gz CJBCIRFHSRFSCC-SNVBAGLBSA-N -1 3 373.800 3.286 20 0 FGADHM COC(=O)[C@@H](C)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC000821638591 599369778 /nfs/dbraw/zinc/36/97/78/599369778.db2.gz CJBCIRFHSRFSCC-SNVBAGLBSA-N -1 3 373.800 3.286 20 0 FGADHM C[C@H](NC(=O)C(C)(C)c1cccc(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736100568 599371519 /nfs/dbraw/zinc/37/15/19/599371519.db2.gz ZHBWJFSQLMHKQR-LBPRGKRZSA-N -1 3 353.401 3.161 20 0 FGADHM C[C@H](NC(=O)C(C)(C)c1cccc(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736100568 599371522 /nfs/dbraw/zinc/37/15/22/599371522.db2.gz ZHBWJFSQLMHKQR-LBPRGKRZSA-N -1 3 353.401 3.161 20 0 FGADHM COc1ccc(Cl)cc1CN(C)c1nc(C)cc(C)c1-c1nnn[n-]1 ZINC000821824052 599385523 /nfs/dbraw/zinc/38/55/23/599385523.db2.gz FWLNUXVCCGHMBR-UHFFFAOYSA-N -1 3 358.833 3.177 20 0 FGADHM COc1ccc(Cl)cc1CN(C)c1nc(C)cc(C)c1-c1nn[n-]n1 ZINC000821824052 599385526 /nfs/dbraw/zinc/38/55/26/599385526.db2.gz FWLNUXVCCGHMBR-UHFFFAOYSA-N -1 3 358.833 3.177 20 0 FGADHM C[C@H](NCc1csc(-c2ccco2)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000820438535 599394817 /nfs/dbraw/zinc/39/48/17/599394817.db2.gz RLBBVZQSCMTACE-NSHDSACASA-N -1 3 352.423 3.434 20 0 FGADHM Cc1nc2ccccc2n1CCNc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000737490493 599398147 /nfs/dbraw/zinc/39/81/47/599398147.db2.gz VLQKWUVSHFOPEV-UHFFFAOYSA-N -1 3 370.420 3.185 20 0 FGADHM Cc1nc2ccccc2n1CCNc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000737490493 599398150 /nfs/dbraw/zinc/39/81/50/599398150.db2.gz VLQKWUVSHFOPEV-UHFFFAOYSA-N -1 3 370.420 3.185 20 0 FGADHM C[C@@H](NC(=O)N[C@H](c1ccccc1)C1CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820360366 599401253 /nfs/dbraw/zinc/40/12/53/599401253.db2.gz YGQHUOUUCNVXLX-FZKQIMNGSA-N -1 3 362.437 3.378 20 0 FGADHM C[C@@H](NC(=O)N[C@H](c1ccccc1)C1CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820360366 599401254 /nfs/dbraw/zinc/40/12/54/599401254.db2.gz YGQHUOUUCNVXLX-FZKQIMNGSA-N -1 3 362.437 3.378 20 0 FGADHM O[C@@H](CNc1cc(Cl)ccc1-c1nnn[n-]1)c1cccc(Cl)c1 ZINC000738383093 599408849 /nfs/dbraw/zinc/40/88/49/599408849.db2.gz OEXISMQTABUXCM-AWEZNQCLSA-N -1 3 350.209 3.319 20 0 FGADHM O[C@@H](CNc1cc(Cl)ccc1-c1nn[n-]n1)c1cccc(Cl)c1 ZINC000738383093 599408851 /nfs/dbraw/zinc/40/88/51/599408851.db2.gz OEXISMQTABUXCM-AWEZNQCLSA-N -1 3 350.209 3.319 20 0 FGADHM CC(C)COC1CCN(c2cc(-c3nnn[n-]3)c3ccccc3n2)CC1 ZINC000735839371 599413768 /nfs/dbraw/zinc/41/37/68/599413768.db2.gz REHASVXLQJXLEK-UHFFFAOYSA-N -1 3 352.442 3.056 20 0 FGADHM CC(C)COC1CCN(c2cc(-c3nn[n-]n3)c3ccccc3n2)CC1 ZINC000735839371 599413770 /nfs/dbraw/zinc/41/37/70/599413770.db2.gz REHASVXLQJXLEK-UHFFFAOYSA-N -1 3 352.442 3.056 20 0 FGADHM c1ccc(CCOCCCNc2cc(-c3nnn[n-]3)c3ccccc3n2)cc1 ZINC000738432407 599415966 /nfs/dbraw/zinc/41/59/66/599415966.db2.gz GJLGPFPRSMCLFB-UHFFFAOYSA-N -1 3 374.448 3.476 20 0 FGADHM c1ccc(CCOCCCNc2cc(-c3nn[n-]n3)c3ccccc3n2)cc1 ZINC000738432407 599415967 /nfs/dbraw/zinc/41/59/67/599415967.db2.gz GJLGPFPRSMCLFB-UHFFFAOYSA-N -1 3 374.448 3.476 20 0 FGADHM C[C@H](NC(=O)NCc1cc2ccccc2o1)c1cccc(-c2nnn[n-]2)c1 ZINC000820368255 599422558 /nfs/dbraw/zinc/42/25/58/599422558.db2.gz YXHLJYAQSHJQTB-LBPRGKRZSA-N -1 3 362.393 3.173 20 0 FGADHM C[C@H](NC(=O)NCc1cc2ccccc2o1)c1cccc(-c2nn[n-]n2)c1 ZINC000820368255 599422561 /nfs/dbraw/zinc/42/25/61/599422561.db2.gz YXHLJYAQSHJQTB-LBPRGKRZSA-N -1 3 362.393 3.173 20 0 FGADHM CCCC[C@@H]1CCC[C@@H]1NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000821042733 599434508 /nfs/dbraw/zinc/43/45/08/599434508.db2.gz GXWDBAHKOSFIDW-WBMJQRKESA-N -1 3 360.437 3.164 20 0 FGADHM CCCC[C@@H]1CCC[C@@H]1NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000821042733 599434510 /nfs/dbraw/zinc/43/45/10/599434510.db2.gz GXWDBAHKOSFIDW-WBMJQRKESA-N -1 3 360.437 3.164 20 0 FGADHM Cc1cc(C)cc([C@H](C)NC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)c1 ZINC000822196223 599440052 /nfs/dbraw/zinc/44/00/52/599440052.db2.gz AIOSIQCFYLECGK-ZDUSSCGKSA-N -1 3 368.416 3.183 20 0 FGADHM Cc1cc(C)cc([C@H](C)NC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC000822196223 599440054 /nfs/dbraw/zinc/44/00/54/599440054.db2.gz AIOSIQCFYLECGK-ZDUSSCGKSA-N -1 3 368.416 3.183 20 0 FGADHM CCN(C(=O)CC[C@@H]1CC[C@H](C)O1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821147504 599455865 /nfs/dbraw/zinc/45/58/65/599455865.db2.gz HFRVBIZTWUHSMH-VBQJREDUSA-N -1 3 357.458 3.124 20 0 FGADHM CCN(C(=O)CC[C@@H]1CC[C@H](C)O1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821147504 599455867 /nfs/dbraw/zinc/45/58/67/599455867.db2.gz HFRVBIZTWUHSMH-VBQJREDUSA-N -1 3 357.458 3.124 20 0 FGADHM O=C(COC(=O)c1ccc2sccc2c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826416416 607380314 /nfs/dbraw/zinc/38/03/14/607380314.db2.gz YTFIYLXQFPMWCQ-UHFFFAOYSA-N -1 3 364.386 3.121 20 0 FGADHM O=C(COC(=O)c1ccc2sccc2c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826416416 607380316 /nfs/dbraw/zinc/38/03/16/607380316.db2.gz YTFIYLXQFPMWCQ-UHFFFAOYSA-N -1 3 364.386 3.121 20 0 FGADHM CC(C)C(=O)Nc1ccc(CNc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000820012298 599466455 /nfs/dbraw/zinc/46/64/55/599466455.db2.gz XYFLENMCWJNUCD-UHFFFAOYSA-N -1 3 354.389 3.212 20 0 FGADHM CC(C)C(=O)Nc1ccc(CNc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000820012298 599466456 /nfs/dbraw/zinc/46/64/56/599466456.db2.gz XYFLENMCWJNUCD-UHFFFAOYSA-N -1 3 354.389 3.212 20 0 FGADHM C[C@H](NC(=O)NCc1ccc(Cl)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820373911 599471175 /nfs/dbraw/zinc/47/11/75/599471175.db2.gz LJJWUGXBGMCSLM-NSHDSACASA-N -1 3 356.817 3.081 20 0 FGADHM C[C@H](NC(=O)NCc1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820373911 599471177 /nfs/dbraw/zinc/47/11/77/599471177.db2.gz LJJWUGXBGMCSLM-NSHDSACASA-N -1 3 356.817 3.081 20 0 FGADHM C[C@@H](CNC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000820262426 599473043 /nfs/dbraw/zinc/47/30/43/599473043.db2.gz VQIYYURXEZTTPR-UONOGXRCSA-N -1 3 350.426 3.031 20 0 FGADHM C[C@@H](CNC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000820262426 599473045 /nfs/dbraw/zinc/47/30/45/599473045.db2.gz VQIYYURXEZTTPR-UONOGXRCSA-N -1 3 350.426 3.031 20 0 FGADHM CC(C)[C@@H]1CCC[C@@H](NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000820359357 599473784 /nfs/dbraw/zinc/47/37/84/599473784.db2.gz SICWNKXJJAQSKU-JJRVBVJISA-N -1 3 356.474 3.442 20 0 FGADHM CC(C)[C@@H]1CCC[C@@H](NC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000820359357 599473786 /nfs/dbraw/zinc/47/37/86/599473786.db2.gz SICWNKXJJAQSKU-JJRVBVJISA-N -1 3 356.474 3.442 20 0 FGADHM CCO[C@H](C)c1nc(COc2ccc(-c3nnn[n-]3)cc2OC)cs1 ZINC000736618527 599474815 /nfs/dbraw/zinc/47/48/15/599474815.db2.gz UQOFAXHRGOKYCA-SNVBAGLBSA-N -1 3 361.427 3.008 20 0 FGADHM CCO[C@H](C)c1nc(COc2ccc(-c3nn[n-]n3)cc2OC)cs1 ZINC000736618527 599474817 /nfs/dbraw/zinc/47/48/17/599474817.db2.gz UQOFAXHRGOKYCA-SNVBAGLBSA-N -1 3 361.427 3.008 20 0 FGADHM C[C@H](NC(=O)N1CC[C@H](c2ccccc2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820340931 599476126 /nfs/dbraw/zinc/47/61/26/599476126.db2.gz NSTAQYPQCBODNK-KSSFIOAISA-N -1 3 362.437 3.127 20 0 FGADHM C[C@H](NC(=O)N1CC[C@H](c2ccccc2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820340931 599476129 /nfs/dbraw/zinc/47/61/29/599476129.db2.gz NSTAQYPQCBODNK-KSSFIOAISA-N -1 3 362.437 3.127 20 0 FGADHM Cc1cccc2c1CCN(C(=O)N[C@@H](C)c1cccc(-c3nnn[n-]3)c1)C2 ZINC000822340888 599479718 /nfs/dbraw/zinc/47/97/18/599479718.db2.gz LPIFBVGPBAKGPL-AWEZNQCLSA-N -1 3 362.437 3.004 20 0 FGADHM Cc1cccc2c1CCN(C(=O)N[C@@H](C)c1cccc(-c3nn[n-]n3)c1)C2 ZINC000822340888 599479721 /nfs/dbraw/zinc/47/97/21/599479721.db2.gz LPIFBVGPBAKGPL-AWEZNQCLSA-N -1 3 362.437 3.004 20 0 FGADHM CC[C@H](C)NC(=O)c1cccc(CNc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000820875872 599480035 /nfs/dbraw/zinc/48/00/35/599480035.db2.gz HTMTURQQCNDAQL-LBPRGKRZSA-N -1 3 368.416 3.146 20 0 FGADHM CC[C@H](C)NC(=O)c1cccc(CNc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000820875872 599480038 /nfs/dbraw/zinc/48/00/38/599480038.db2.gz HTMTURQQCNDAQL-LBPRGKRZSA-N -1 3 368.416 3.146 20 0 FGADHM C[C@H](NC(=O)N[C@H]1CSc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820359964 599483401 /nfs/dbraw/zinc/48/34/01/599483401.db2.gz VYKQFMBYAGFEQN-NHYWBVRUSA-N -1 3 366.450 3.074 20 0 FGADHM C[C@H](NC(=O)N[C@H]1CSc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820359964 599483404 /nfs/dbraw/zinc/48/34/04/599483404.db2.gz VYKQFMBYAGFEQN-NHYWBVRUSA-N -1 3 366.450 3.074 20 0 FGADHM C[C@H](NC(=O)N1CCC[C@H]1C1CCCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820348167 599483481 /nfs/dbraw/zinc/48/34/81/599483481.db2.gz APLFZDKKMFBFNY-GUYCJALGSA-N -1 3 354.458 3.292 20 0 FGADHM C[C@H](NC(=O)N1CCC[C@H]1C1CCCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820348167 599483484 /nfs/dbraw/zinc/48/34/84/599483484.db2.gz APLFZDKKMFBFNY-GUYCJALGSA-N -1 3 354.458 3.292 20 0 FGADHM C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000736234156 599492278 /nfs/dbraw/zinc/49/22/78/599492278.db2.gz IGFIFWGXJKNYFK-IUODEOHRSA-N -1 3 366.400 3.416 20 0 FGADHM C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000736234156 599492280 /nfs/dbraw/zinc/49/22/80/599492280.db2.gz IGFIFWGXJKNYFK-IUODEOHRSA-N -1 3 366.400 3.416 20 0 FGADHM C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736237278 599492552 /nfs/dbraw/zinc/49/25/52/599492552.db2.gz WOPXDQHFADZISB-SWLSCSKDSA-N -1 3 366.400 3.416 20 0 FGADHM C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736237278 599492554 /nfs/dbraw/zinc/49/25/54/599492554.db2.gz WOPXDQHFADZISB-SWLSCSKDSA-N -1 3 366.400 3.416 20 0 FGADHM C[C@H](C[C@@H](O)c1ccccc1)Nc1nc2ccccc2cc1-c1nnn[n-]1 ZINC000820231633 607381562 /nfs/dbraw/zinc/38/15/62/607381562.db2.gz CLVXOYSCGSVJMO-FZKQIMNGSA-N -1 3 360.421 3.339 20 0 FGADHM C[C@H](C[C@@H](O)c1ccccc1)Nc1nc2ccccc2cc1-c1nn[n-]n1 ZINC000820231633 607381564 /nfs/dbraw/zinc/38/15/64/607381564.db2.gz CLVXOYSCGSVJMO-FZKQIMNGSA-N -1 3 360.421 3.339 20 0 FGADHM CN(C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1)C1CC1 ZINC000736748827 599501500 /nfs/dbraw/zinc/50/15/00/599501500.db2.gz KYGIRGZOTWBZME-UHFFFAOYSA-N -1 3 350.382 3.285 20 0 FGADHM CN(C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)C1CC1 ZINC000736748827 599501503 /nfs/dbraw/zinc/50/15/03/599501503.db2.gz KYGIRGZOTWBZME-UHFFFAOYSA-N -1 3 350.382 3.285 20 0 FGADHM C[C@H](NC(=O)c1cnc(C(C)(C)C)s1)c1cccc(-c2nnn[n-]2)c1 ZINC000820404397 599504251 /nfs/dbraw/zinc/50/42/51/599504251.db2.gz UNHLGSSZQKGDMG-JTQLQIEISA-N -1 3 356.455 3.112 20 0 FGADHM C[C@H](NC(=O)c1cnc(C(C)(C)C)s1)c1cccc(-c2nn[n-]n2)c1 ZINC000820404397 599504253 /nfs/dbraw/zinc/50/42/53/599504253.db2.gz UNHLGSSZQKGDMG-JTQLQIEISA-N -1 3 356.455 3.112 20 0 FGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)N1CCCCC[C@@H]1c1ccco1 ZINC000738101215 599505619 /nfs/dbraw/zinc/50/56/19/599505619.db2.gz HJHRLXPCPFDZFE-MRXNPFEDSA-N -1 3 366.425 3.287 20 0 FGADHM CC(C)(CNc1ccc(F)cc1-c1nnn[n-]1)c1ccc2c(c1)OCO2 ZINC000819983925 599505634 /nfs/dbraw/zinc/50/56/34/599505634.db2.gz KLOKRKKTYMAPOC-UHFFFAOYSA-N -1 3 355.373 3.124 20 0 FGADHM CC(C)(CNc1ccc(F)cc1-c1nn[n-]n1)c1ccc2c(c1)OCO2 ZINC000819983925 599505637 /nfs/dbraw/zinc/50/56/37/599505637.db2.gz KLOKRKKTYMAPOC-UHFFFAOYSA-N -1 3 355.373 3.124 20 0 FGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)N1CCCCC[C@@H]1c1ccco1 ZINC000738101215 599505621 /nfs/dbraw/zinc/50/56/21/599505621.db2.gz HJHRLXPCPFDZFE-MRXNPFEDSA-N -1 3 366.425 3.287 20 0 FGADHM C[C@H](NC(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000820321014 599506040 /nfs/dbraw/zinc/50/60/40/599506040.db2.gz ATKZZYWFOBQNEJ-JMPLFQLZSA-N -1 3 369.375 3.126 20 0 FGADHM C[C@H](NC(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000820321014 599506043 /nfs/dbraw/zinc/50/60/43/599506043.db2.gz ATKZZYWFOBQNEJ-JMPLFQLZSA-N -1 3 369.375 3.126 20 0 FGADHM C[C@@H](NC(=O)c1ccc(-c2ccccc2)n1C)c1cccc(-c2nnn[n-]2)c1 ZINC000820391825 599509724 /nfs/dbraw/zinc/50/97/24/599509724.db2.gz RMEQRZKFHWZOGA-CQSZACIVSA-N -1 3 372.432 3.363 20 0 FGADHM C[C@@H](NC(=O)c1ccc(-c2ccccc2)n1C)c1cccc(-c2nn[n-]n2)c1 ZINC000820391825 599509726 /nfs/dbraw/zinc/50/97/26/599509726.db2.gz RMEQRZKFHWZOGA-CQSZACIVSA-N -1 3 372.432 3.363 20 0 FGADHM Cc1ccc(-c2cc(C(=O)N[C@H](C)c3cccc(-c4nnn[n-]4)c3)on2)cc1 ZINC000822212766 599515308 /nfs/dbraw/zinc/51/53/08/599515308.db2.gz GSGYRBBTIAIGKY-CYBMUJFWSA-N -1 3 374.404 3.321 20 0 FGADHM Cc1ccc(-c2cc(C(=O)N[C@H](C)c3cccc(-c4nn[n-]n4)c3)on2)cc1 ZINC000822212766 599515310 /nfs/dbraw/zinc/51/53/10/599515310.db2.gz GSGYRBBTIAIGKY-CYBMUJFWSA-N -1 3 374.404 3.321 20 0 FGADHM COc1cc(Cl)ccc1C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821716914 599517436 /nfs/dbraw/zinc/51/74/36/599517436.db2.gz HAAVMVZSMZHSAX-JTQLQIEISA-N -1 3 357.801 3.020 20 0 FGADHM COc1cc(Cl)ccc1C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821716914 599517438 /nfs/dbraw/zinc/51/74/38/599517438.db2.gz HAAVMVZSMZHSAX-JTQLQIEISA-N -1 3 357.801 3.020 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)Nc2ccccc2)nn1 ZINC000737220059 599525166 /nfs/dbraw/zinc/52/51/66/599525166.db2.gz AJKCQSGNOPPWFR-UHFFFAOYSA-N -1 3 373.376 3.010 20 0 FGADHM Cc1ccccc1OCCCNc1c(-c2nnn[n-]2)cnc2ccccc21 ZINC000822366362 599528550 /nfs/dbraw/zinc/52/85/50/599528550.db2.gz ITYBNRSQKIXQFS-UHFFFAOYSA-N -1 3 360.421 3.026 20 0 FGADHM Cc1ccccc1OCCCNc1c(-c2nn[n-]n2)cnc2ccccc21 ZINC000822366362 599528553 /nfs/dbraw/zinc/52/85/53/599528553.db2.gz ITYBNRSQKIXQFS-UHFFFAOYSA-N -1 3 360.421 3.026 20 0 FGADHM C[C@@H]1CCc2ccccc2N1C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736281989 599539089 /nfs/dbraw/zinc/53/90/89/599539089.db2.gz YZYYEBIGBKICRI-CYBMUJFWSA-N -1 3 365.462 3.327 20 0 FGADHM C[C@@H]1CCc2ccccc2N1C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736281989 599539093 /nfs/dbraw/zinc/53/90/93/599539093.db2.gz YZYYEBIGBKICRI-CYBMUJFWSA-N -1 3 365.462 3.327 20 0 FGADHM Cc1sc(NC(=O)c2coc(-c3ccccc3)n2)c(-c2nnn[n-]2)c1C ZINC000737564760 599540291 /nfs/dbraw/zinc/54/02/91/599540291.db2.gz SOGNPMCCYUEPNL-UHFFFAOYSA-N -1 3 366.406 3.452 20 0 FGADHM Cc1sc(NC(=O)c2coc(-c3ccccc3)n2)c(-c2nn[n-]n2)c1C ZINC000737564760 599540293 /nfs/dbraw/zinc/54/02/93/599540293.db2.gz SOGNPMCCYUEPNL-UHFFFAOYSA-N -1 3 366.406 3.452 20 0 FGADHM C[C@@H](NC(=O)C1(c2cccc(F)c2)CCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820322372 599543780 /nfs/dbraw/zinc/54/37/80/599543780.db2.gz RQDAUUGBJFPEQZ-CYBMUJFWSA-N -1 3 365.412 3.305 20 0 FGADHM C[C@@H](NC(=O)C1(c2cccc(F)c2)CCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820322372 599543782 /nfs/dbraw/zinc/54/37/82/599543782.db2.gz RQDAUUGBJFPEQZ-CYBMUJFWSA-N -1 3 365.412 3.305 20 0 FGADHM O=C(c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1)N1C[C@H]2CCC[C@@H]21 ZINC000738273015 599573968 /nfs/dbraw/zinc/57/39/68/599573968.db2.gz JJJXXFRXHCVQLF-QAPCUYQASA-N -1 3 360.421 3.235 20 0 FGADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(N[C@@H]2[C@@H]3CCc4ccccc4[C@@H]32)n1 ZINC000822723918 607384500 /nfs/dbraw/zinc/38/45/00/607384500.db2.gz SRFXQSFZEMFUFW-BYCMXARLSA-N -1 3 372.354 3.421 20 0 FGADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(N[C@@H]2[C@@H]3CCc4ccccc4[C@@H]32)n1 ZINC000822723918 607384503 /nfs/dbraw/zinc/38/45/03/607384503.db2.gz SRFXQSFZEMFUFW-BYCMXARLSA-N -1 3 372.354 3.421 20 0 FGADHM COc1ccc([C@@H](C)CCNc2nc3c(cc2-c2nnn[n-]2)CCC3)cc1 ZINC000821777548 599588119 /nfs/dbraw/zinc/58/81/19/599588119.db2.gz HZLACLJVQLYSEM-ZDUSSCGKSA-N -1 3 364.453 3.365 20 0 FGADHM COc1ccc([C@@H](C)CCNc2nc3c(cc2-c2nn[n-]n2)CCC3)cc1 ZINC000821777548 599588121 /nfs/dbraw/zinc/58/81/21/599588121.db2.gz HZLACLJVQLYSEM-ZDUSSCGKSA-N -1 3 364.453 3.365 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)NC[C@@H](C)c1ccc(C)cc1 ZINC000737063197 599610755 /nfs/dbraw/zinc/61/07/55/599610755.db2.gz OKZNYCKRWKOJQQ-CYBMUJFWSA-N -1 3 366.425 3.109 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)NC[C@@H](C)c1ccc(C)cc1 ZINC000737063197 599610756 /nfs/dbraw/zinc/61/07/56/599610756.db2.gz OKZNYCKRWKOJQQ-CYBMUJFWSA-N -1 3 366.425 3.109 20 0 FGADHM C[C@H](C(=O)O[C@@H](C)COc1cccc(-c2nnn[n-]2)c1)c1cccs1 ZINC000736038574 599617895 /nfs/dbraw/zinc/61/78/95/599617895.db2.gz WABUJCGAWPHXDR-RYUDHWBXSA-N -1 3 358.423 3.042 20 0 FGADHM C[C@H](C(=O)O[C@@H](C)COc1cccc(-c2nn[n-]n2)c1)c1cccs1 ZINC000736038574 599617896 /nfs/dbraw/zinc/61/78/96/599617896.db2.gz WABUJCGAWPHXDR-RYUDHWBXSA-N -1 3 358.423 3.042 20 0 FGADHM CC(C)(C)c1ncc(C=CC(=O)Oc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000819965853 599620444 /nfs/dbraw/zinc/62/04/44/599620444.db2.gz PNSGCRGXSZBUNW-HJWRWDBZSA-N -1 3 355.423 3.240 20 0 FGADHM CCCOc1ccc(CCC(=O)OCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821133884 599623195 /nfs/dbraw/zinc/62/31/95/599623195.db2.gz JFDWFGNEYFZPAU-UHFFFAOYSA-N -1 3 366.421 3.332 20 0 FGADHM CCCOc1ccc(CCC(=O)OCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821133884 599623196 /nfs/dbraw/zinc/62/31/96/599623196.db2.gz JFDWFGNEYFZPAU-UHFFFAOYSA-N -1 3 366.421 3.332 20 0 FGADHM CC[C@H](Cc1ccccc1)OC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000820916147 599625492 /nfs/dbraw/zinc/62/54/92/599625492.db2.gz ZMKLPYNFFJZKPZ-WMLDXEAASA-N -1 3 366.421 3.199 20 0 FGADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OCc1ccsc1 ZINC000820032634 599625918 /nfs/dbraw/zinc/62/59/18/599625918.db2.gz PFXSKMJDPXVSTL-OAHLLOKOSA-N -1 3 358.423 3.075 20 0 FGADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)OCc1ccsc1 ZINC000820032634 599625919 /nfs/dbraw/zinc/62/59/19/599625919.db2.gz PFXSKMJDPXVSTL-OAHLLOKOSA-N -1 3 358.423 3.075 20 0 FGADHM CCO[C@H]1C[C@@H](OC(=O)c2ccc(-c3nnn[n-]3)cc2)C12CCCCC2 ZINC000821369245 599626233 /nfs/dbraw/zinc/62/62/33/599626233.db2.gz YCHMZZWJOIJUBM-JKSUJKDBSA-N -1 3 356.426 3.151 20 0 FGADHM CCO[C@H]1C[C@@H](OC(=O)c2ccc(-c3nn[n-]n3)cc2)C12CCCCC2 ZINC000821369245 599626234 /nfs/dbraw/zinc/62/62/34/599626234.db2.gz YCHMZZWJOIJUBM-JKSUJKDBSA-N -1 3 356.426 3.151 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@H](c1ccccc1)C(C)C ZINC000821699653 599629536 /nfs/dbraw/zinc/62/95/36/599629536.db2.gz YBNMRQFKUZGTSL-KRWDZBQOSA-N -1 3 352.394 3.221 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@H](c1ccccc1)C(C)C ZINC000821699653 599629537 /nfs/dbraw/zinc/62/95/37/599629537.db2.gz YBNMRQFKUZGTSL-KRWDZBQOSA-N -1 3 352.394 3.221 20 0 FGADHM CCC(C)(C)CC(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000820848526 599650418 /nfs/dbraw/zinc/65/04/18/599650418.db2.gz YEQQNFNOMQGKER-UHFFFAOYSA-N -1 3 357.458 3.063 20 0 FGADHM CCC(C)(C)CC(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000820848526 599650419 /nfs/dbraw/zinc/65/04/19/599650419.db2.gz YEQQNFNOMQGKER-UHFFFAOYSA-N -1 3 357.458 3.063 20 0 FGADHM Cc1c2c(sc1NC(=O)CNc1ccc(-c3nn[n-]n3)cc1)CCCC2 ZINC000822067958 599651181 /nfs/dbraw/zinc/65/11/81/599651181.db2.gz LPSVAMDODIKOPR-UHFFFAOYSA-N -1 3 368.466 3.166 20 0 FGADHM C[C@H](CCc1cccc(F)c1)C(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000820254820 599669715 /nfs/dbraw/zinc/66/97/15/599669715.db2.gz XUDZBKNNUPZGPL-GFCCVEGCSA-N -1 3 372.375 3.457 20 0 FGADHM C[C@H](CCc1cccc(F)c1)C(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000820254820 599669716 /nfs/dbraw/zinc/66/97/16/599669716.db2.gz XUDZBKNNUPZGPL-GFCCVEGCSA-N -1 3 372.375 3.457 20 0 FGADHM C[C@@H](NC(=O)N(Cc1cccs1)C1CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820342071 599680013 /nfs/dbraw/zinc/68/00/13/599680013.db2.gz SUDZXIVZZXRDKI-GFCCVEGCSA-N -1 3 368.466 3.363 20 0 FGADHM C[C@@H](NC(=O)N(Cc1cccs1)C1CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820342071 599680014 /nfs/dbraw/zinc/68/00/14/599680014.db2.gz SUDZXIVZZXRDKI-GFCCVEGCSA-N -1 3 368.466 3.363 20 0 FGADHM Cc1cccc(NC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)c1Cl ZINC000822323882 599693834 /nfs/dbraw/zinc/69/38/34/599693834.db2.gz QAMJGANPFWQZAN-UHFFFAOYSA-N -1 3 360.780 3.289 20 0 FGADHM Cc1cccc(NC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)c1Cl ZINC000822323882 599693835 /nfs/dbraw/zinc/69/38/35/599693835.db2.gz QAMJGANPFWQZAN-UHFFFAOYSA-N -1 3 360.780 3.289 20 0 FGADHM Cc1nc(-c2ccccc2)oc1C(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000822418880 599696812 /nfs/dbraw/zinc/69/68/12/599696812.db2.gz HTWOEFLKJKPFJD-UHFFFAOYSA-N -1 3 374.404 3.102 20 0 FGADHM Cc1nc(-c2ccccc2)oc1C(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000822418880 599696813 /nfs/dbraw/zinc/69/68/13/599696813.db2.gz HTWOEFLKJKPFJD-UHFFFAOYSA-N -1 3 374.404 3.102 20 0 FGADHM Cc1ccccc1C(=O)NC1CCN([C@H](C(=O)[O-])c2ccc(F)cc2)CC1 ZINC000738754391 599710690 /nfs/dbraw/zinc/71/06/90/599710690.db2.gz HYSCKXOBFOFICR-IBGZPJMESA-N -1 3 370.424 3.154 20 0 FGADHM Cc1ccsc1[C@H]1C[C@@H]1C(=O)OCc1cc(-c2nnn[n-]2)ccc1F ZINC000826316339 607391175 /nfs/dbraw/zinc/39/11/75/607391175.db2.gz KPOBOAWTBIRRJL-STQMWFEESA-N -1 3 358.398 3.223 20 0 FGADHM Cc1ccsc1[C@H]1C[C@@H]1C(=O)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000826316339 607391177 /nfs/dbraw/zinc/39/11/77/607391177.db2.gz KPOBOAWTBIRRJL-STQMWFEESA-N -1 3 358.398 3.223 20 0 FGADHM Cc1ccsc1CCCC(=O)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000826316358 607391369 /nfs/dbraw/zinc/39/13/69/607391369.db2.gz LEGILRLVJIRMCG-UHFFFAOYSA-N -1 3 360.414 3.442 20 0 FGADHM Cc1ccsc1CCCC(=O)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000826316358 607391371 /nfs/dbraw/zinc/39/13/71/607391371.db2.gz LEGILRLVJIRMCG-UHFFFAOYSA-N -1 3 360.414 3.442 20 0 FGADHM C[C@H](C1CC1)N(Cc1ccccc1)C(=O)CN1CCCC[C@@H]1CC(=O)[O-] ZINC000650504325 599754915 /nfs/dbraw/zinc/75/49/15/599754915.db2.gz IJPVHVCJXLBTGL-VQIMIIECSA-N -1 3 358.482 3.143 20 0 FGADHM C[C@H](c1ccc(C(=O)[O-])o1)N1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000736719864 599771168 /nfs/dbraw/zinc/77/11/68/599771168.db2.gz ZLSGELKXLMIKMF-GFCCVEGCSA-N -1 3 368.393 3.363 20 0 FGADHM CCOc1cccc(C(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)c1 ZINC000821427156 607397379 /nfs/dbraw/zinc/39/73/79/607397379.db2.gz NEQDPVHSHRCVOV-UHFFFAOYSA-N -1 3 367.409 3.305 20 0 FGADHM CCOc1cccc(C(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)c1 ZINC000821427156 607397381 /nfs/dbraw/zinc/39/73/81/607397381.db2.gz NEQDPVHSHRCVOV-UHFFFAOYSA-N -1 3 367.409 3.305 20 0 FGADHM CC(C)CCSCC(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000820081601 607401453 /nfs/dbraw/zinc/40/14/53/607401453.db2.gz MNTIQIXZXGTEJI-UHFFFAOYSA-N -1 3 363.487 3.372 20 0 FGADHM CC(C)CCSCC(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000820081601 607401454 /nfs/dbraw/zinc/40/14/54/607401454.db2.gz MNTIQIXZXGTEJI-UHFFFAOYSA-N -1 3 363.487 3.372 20 0 FGADHM CCOc1ccc(CCC(=O)OCc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000825637973 607404769 /nfs/dbraw/zinc/40/47/69/607404769.db2.gz DKJPSDKIDPZEQZ-UHFFFAOYSA-N -1 3 366.421 3.250 20 0 FGADHM CCOc1ccc(CCC(=O)OCc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000825637973 607404770 /nfs/dbraw/zinc/40/47/70/607404770.db2.gz DKJPSDKIDPZEQZ-UHFFFAOYSA-N -1 3 366.421 3.250 20 0 FGADHM CC[C@H](CNC(=O)c1cccc(NC(=O)[O-])c1)N1CCc2ccccc2C1 ZINC000736906398 599903657 /nfs/dbraw/zinc/90/36/57/599903657.db2.gz ZTFGVYFCPAXYOU-LJQANCHMSA-N -1 3 367.449 3.343 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)[C@@H](C)Cc1ccccc1F ZINC000826252621 607407613 /nfs/dbraw/zinc/40/76/13/607407613.db2.gz KWBBTABOSNMHRI-ZDUSSCGKSA-N -1 3 354.385 3.236 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)[C@@H](C)Cc1ccccc1F ZINC000826252621 607407614 /nfs/dbraw/zinc/40/76/14/607407614.db2.gz KWBBTABOSNMHRI-ZDUSSCGKSA-N -1 3 354.385 3.236 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)c1cc(-c2ccccc2)on1 ZINC000826254183 607408525 /nfs/dbraw/zinc/40/85/25/607408525.db2.gz 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607416330 /nfs/dbraw/zinc/41/63/30/607416330.db2.gz QMFVQYNRTAQGIW-UHFFFAOYSA-N -1 3 370.384 3.035 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)C(C)(C)c1ccc(F)cc1 ZINC000821737017 607416331 /nfs/dbraw/zinc/41/63/31/607416331.db2.gz QMFVQYNRTAQGIW-UHFFFAOYSA-N -1 3 370.384 3.035 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)C[C@H](C)c1ccccc1F ZINC000821740945 607416764 /nfs/dbraw/zinc/41/67/64/607416764.db2.gz FBRKZYAZDVJPPU-LBPRGKRZSA-N -1 3 370.384 3.251 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)C[C@H](C)c1ccccc1F ZINC000821740945 607416765 /nfs/dbraw/zinc/41/67/65/607416765.db2.gz FBRKZYAZDVJPPU-LBPRGKRZSA-N -1 3 370.384 3.251 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)C[C@@H](C)c1cccc(F)c1 ZINC000821741072 607418526 /nfs/dbraw/zinc/41/85/26/607418526.db2.gz HNYNQZZOWWBESV-GFCCVEGCSA-N -1 3 370.384 3.251 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)C[C@@H](C)c1cccc(F)c1 ZINC000821741072 607418528 /nfs/dbraw/zinc/41/85/28/607418528.db2.gz HNYNQZZOWWBESV-GFCCVEGCSA-N -1 3 370.384 3.251 20 0 FGADHM CN(CC1CCN(Cc2ccc(C(=O)[O-])o2)CC1)C(=O)OC(C)(C)C ZINC000737413739 600104528 /nfs/dbraw/zinc/10/45/28/600104528.db2.gz SCGCZSQURCGDJN-UHFFFAOYSA-N -1 3 352.431 3.057 20 0 FGADHM CC(C)CNC(=O)c1cccc(CN2Cc3ccccc3C[C@@H]2C(=O)[O-])c1 ZINC000736440811 600128197 /nfs/dbraw/zinc/12/81/97/600128197.db2.gz WNKFXBVEDLRGOD-HXUWFJFHSA-N -1 3 366.461 3.084 20 0 FGADHM O=C([O-])c1cc(Cl)cc(NC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)c1 ZINC000740074550 600202175 /nfs/dbraw/zinc/20/21/75/600202175.db2.gz QCDKCYOEEMWSMA-CQSZACIVSA-N -1 3 373.840 3.284 20 0 FGADHM C[C@H]1CCc2c(C(=O)N(C)c3ccc(-c4nnn[n-]4)cc3)csc2C1 ZINC000824967679 607433123 /nfs/dbraw/zinc/43/31/23/607433123.db2.gz MOSGSPWGOVSXRY-NSHDSACASA-N -1 3 353.451 3.330 20 0 FGADHM C[C@H]1CCc2c(C(=O)N(C)c3ccc(-c4nn[n-]n4)cc3)csc2C1 ZINC000824967679 607433124 /nfs/dbraw/zinc/43/31/24/607433124.db2.gz MOSGSPWGOVSXRY-NSHDSACASA-N -1 3 353.451 3.330 20 0 FGADHM Cc1ccsc1[C@H]1C[C@H]1C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000826316721 607432683 /nfs/dbraw/zinc/43/26/83/607432683.db2.gz WTYKNAUOAXASSK-NWDGAFQWSA-N -1 3 357.414 3.142 20 0 FGADHM Cc1ccsc1[C@H]1C[C@H]1C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000826316721 607432685 /nfs/dbraw/zinc/43/26/85/607432685.db2.gz WTYKNAUOAXASSK-NWDGAFQWSA-N -1 3 357.414 3.142 20 0 FGADHM CN(C(=O)c1cc(-c2ccccc2)ns1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825825587 607435673 /nfs/dbraw/zinc/43/56/73/607435673.db2.gz FQXLGVVOWOTGPK-UHFFFAOYSA-N -1 3 362.418 3.267 20 0 FGADHM CN(C(=O)c1cc(-c2ccccc2)ns1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825825587 607435674 /nfs/dbraw/zinc/43/56/74/607435674.db2.gz FQXLGVVOWOTGPK-UHFFFAOYSA-N -1 3 362.418 3.267 20 0 FGADHM O=C([O-])c1cc(NC(=O)N[C@H](CN2CCCC2)c2ccccc2)ccc1F ZINC000739472897 600386258 /nfs/dbraw/zinc/38/62/58/600386258.db2.gz RIIFXMCWPKCOMX-GOSISDBHSA-N -1 3 371.412 3.483 20 0 FGADHM CC(C)N(CCC(=O)[O-])CC[S@@](=O)c1cc(Cl)ccc1Cl ZINC000736467653 600409853 /nfs/dbraw/zinc/40/98/53/600409853.db2.gz ALGNCKKAGMHXCF-OAQYLSRUSA-N -1 3 352.283 3.286 20 0 FGADHM C[C@H](N[C@@H](C(=O)[O-])c1cccc(Cl)c1)c1ccc2c(c1)CC(=O)N2C ZINC000736663411 600434275 /nfs/dbraw/zinc/43/42/75/600434275.db2.gz YQJOISZJVSSVLN-BBATYDOGSA-N -1 3 358.825 3.335 20 0 FGADHM CCCCn1ncc(C(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1C ZINC000821082741 607444311 /nfs/dbraw/zinc/44/43/11/607444311.db2.gz NCDXRDSJJATQRT-CYBMUJFWSA-N -1 3 354.414 3.090 20 0 FGADHM CCCCn1ncc(C(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1C ZINC000821082741 607444312 /nfs/dbraw/zinc/44/43/12/607444312.db2.gz NCDXRDSJJATQRT-CYBMUJFWSA-N -1 3 354.414 3.090 20 0 FGADHM CC(C)CCC[C@@H](C)NC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000824245153 607446341 /nfs/dbraw/zinc/44/63/41/607446341.db2.gz WCCSPWSCBJVNFQ-CQSZACIVSA-N -1 3 356.474 3.370 20 0 FGADHM CC(C)CCC[C@@H](C)NC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000824245153 607446342 /nfs/dbraw/zinc/44/63/42/607446342.db2.gz WCCSPWSCBJVNFQ-CQSZACIVSA-N -1 3 356.474 3.370 20 0 FGADHM O=C([O-])[C@@H](OC(=O)C1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC000740290547 600804556 /nfs/dbraw/zinc/80/45/56/600804556.db2.gz UINVNVSAJGOBCB-IBGZPJMESA-N -1 3 371.408 3.407 20 0 FGADHM O=C([O-])[C@H](OC(=O)C1CCN(Cc2ccccc2)CC1)c1ccccc1 ZINC000740300310 600804683 /nfs/dbraw/zinc/80/46/83/600804683.db2.gz WOWDEDYMSDRBFZ-LJQANCHMSA-N -1 3 353.418 3.268 20 0 FGADHM CCN1CCN(c2ccc(C(=O)O[C@H](C)c3ccc(C(=O)[O-])o3)cc2)CC1 ZINC000737117603 600805176 /nfs/dbraw/zinc/80/51/76/600805176.db2.gz YRCWMEOKGPKMNA-CQSZACIVSA-N -1 3 372.421 3.038 20 0 FGADHM C[C@H](C(=O)N[C@@H](CC(=O)[O-])c1cccc(Cl)c1)N1CCCCCC1 ZINC000825995160 600813334 /nfs/dbraw/zinc/81/33/34/600813334.db2.gz NSYSUFRSQVGFGO-CJNGLKHVSA-N -1 3 352.862 3.237 20 0 FGADHM Cc1cc(O[C@H](C)C(=O)Nc2sccc2-c2nnn[n-]2)ccc1Cl ZINC000826271909 607469932 /nfs/dbraw/zinc/46/99/32/607469932.db2.gz MPYZDOMGTYPITR-SECBINFHSA-N -1 3 363.830 3.296 20 0 FGADHM Cc1cc(O[C@H](C)C(=O)Nc2sccc2-c2nn[n-]n2)ccc1Cl ZINC000826271909 607469934 /nfs/dbraw/zinc/46/99/34/607469934.db2.gz MPYZDOMGTYPITR-SECBINFHSA-N -1 3 363.830 3.296 20 0 FGADHM Cc1cc(C[C@H](C)Nc2ccc(-c3nn[n-]n3)cc2)n(-c2ccccc2)n1 ZINC000822199666 607470011 /nfs/dbraw/zinc/47/00/11/607470011.db2.gz COHGQEMSJYYJGY-AWEZNQCLSA-N -1 3 359.437 3.404 20 0 FGADHM Fc1cc(-c2nnn[n-]2)ccc1CNc1ccc(N2CCCCC2)cn1 ZINC000822744441 607475534 /nfs/dbraw/zinc/47/55/34/607475534.db2.gz TYEBIOVPCWHAPH-UHFFFAOYSA-N -1 3 353.405 3.003 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1CNc1ccc(N2CCCCC2)cn1 ZINC000822744441 607475536 /nfs/dbraw/zinc/47/55/36/607475536.db2.gz TYEBIOVPCWHAPH-UHFFFAOYSA-N -1 3 353.405 3.003 20 0 FGADHM CCc1cccc2c1OCC[C@@H]2NCc1ccc(-c2nn[n-]n2)cc1F ZINC000821492535 607478858 /nfs/dbraw/zinc/47/88/58/607478858.db2.gz QAWGFSGRMVVVIG-KRWDZBQOSA-N -1 3 353.401 3.182 20 0 FGADHM C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000828296111 601108752 /nfs/dbraw/zinc/10/87/52/601108752.db2.gz UNZUFTUNEBDQBA-QRQLOZEOSA-N -1 3 358.482 3.000 20 0 FGADHM C[C@H](CSCc1ccccc1)C(=O)Nc1sccc1-c1nnn[n-]1 ZINC000820293790 607494375 /nfs/dbraw/zinc/49/43/75/607494375.db2.gz NXBPPKLAUXPDPA-LLVKDONJSA-N -1 3 359.480 3.436 20 0 FGADHM C[C@H](CSCc1ccccc1)C(=O)Nc1sccc1-c1nn[n-]n1 ZINC000820293790 607494376 /nfs/dbraw/zinc/49/43/76/607494376.db2.gz NXBPPKLAUXPDPA-LLVKDONJSA-N -1 3 359.480 3.436 20 0 FGADHM CCC(CC)(CC(=O)[O-])[NH2+]Cc1cc(Br)c([O-])c(OC)c1 ZINC000828799477 601261049 /nfs/dbraw/zinc/26/10/49/601261049.db2.gz BSJIFFPTDGMRNT-UHFFFAOYSA-N -1 3 360.248 3.286 20 0 FGADHM C[C@@H](OC(=O)c1cc(-c2nnn[n-]2)cs1)c1c(F)cc(F)cc1F ZINC000820508499 607497725 /nfs/dbraw/zinc/49/77/25/607497725.db2.gz QHIKMZYBLRCRGO-ZCFIWIBFSA-N -1 3 354.313 3.264 20 0 FGADHM C[C@@H](OC(=O)c1cc(-c2nn[n-]n2)cs1)c1c(F)cc(F)cc1F ZINC000820508499 607497727 /nfs/dbraw/zinc/49/77/27/607497727.db2.gz QHIKMZYBLRCRGO-ZCFIWIBFSA-N -1 3 354.313 3.264 20 0 FGADHM COc1ccc(CN2CCc3cc(F)ccc3[C@H]2C)cc1-c1nnn[n-]1 ZINC000826195031 607504768 /nfs/dbraw/zinc/50/47/68/607504768.db2.gz FUHGAIYAAADZBU-GFCCVEGCSA-N -1 3 353.401 3.134 20 0 FGADHM COc1ccc(CN2CCc3cccc(F)c3[C@H]2C)cc1-c1nnn[n-]1 ZINC000826195604 607504801 /nfs/dbraw/zinc/50/48/01/607504801.db2.gz ZPCVCTMGNUJPIA-GFCCVEGCSA-N -1 3 353.401 3.134 20 0 FGADHM COc1ccc(CN2CCc3cccc(F)c3[C@H]2C)cc1-c1nn[n-]n1 ZINC000826195604 607504802 /nfs/dbraw/zinc/50/48/02/607504802.db2.gz ZPCVCTMGNUJPIA-GFCCVEGCSA-N -1 3 353.401 3.134 20 0 FGADHM C[C@@H](C(=O)Nc1ccccc1Cc1ccccc1)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000828424898 601529775 /nfs/dbraw/zinc/52/97/75/601529775.db2.gz URINSKWOWMZRRY-JTDSTZFVSA-N -1 3 366.461 3.257 20 0 FGADHM COc1ccc([C@@H](NCc2ccc(SC(=O)N(C)C)cc2)C(=O)[O-])cc1 ZINC000832253434 601532519 /nfs/dbraw/zinc/53/25/19/601532519.db2.gz YZNOCGDRCJGXRY-QGZVFWFLSA-N -1 3 374.462 3.384 20 0 FGADHM C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000263346851 601539328 /nfs/dbraw/zinc/53/93/28/601539328.db2.gz OUOMDBSWAQYOOU-GIPNMCIBSA-N -1 3 369.343 3.469 20 0 FGADHM O=C([O-])c1ccc(CN2CCC[C@@H](CNC(=O)c3ccccc3)C2)cc1F ZINC000833137553 601649734 /nfs/dbraw/zinc/64/97/34/601649734.db2.gz BZSDFSWYQSPKNE-INIZCTEOSA-N -1 3 370.424 3.166 20 0 FGADHM C[C@@H](C(=O)[O-])[C@@H](NCC(=O)Nc1nc2c(s1)CCCC2)c1ccccc1 ZINC000826053064 601655226 /nfs/dbraw/zinc/65/52/26/601655226.db2.gz ICJGLGAPRJSRMP-SJKOYZFVSA-N -1 3 373.478 3.012 20 0 FGADHM CCN(Cc1cccc(F)c1)C(=O)CN[C@@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000829722567 601658089 /nfs/dbraw/zinc/65/80/89/601658089.db2.gz NOOJHRRUBYQOMH-MGPUTAFESA-N -1 3 372.440 3.226 20 0 FGADHM Cc1ccc([C@@H](CNC(=O)C2CCC(NC(=O)[O-])CC2)N2CCCC2)cc1 ZINC000740116512 601934589 /nfs/dbraw/zinc/93/45/89/601934589.db2.gz DBPIKZFPNHISPP-CTWPCTMYSA-N -1 3 373.497 3.075 20 0 FGADHM CN(Cc1ccc(C(=O)[O-])s1)C[C@@H](c1cccs1)N1CCOCC1 ZINC000830819499 601953373 /nfs/dbraw/zinc/95/33/73/601953373.db2.gz QUFVCYZLTKWUAK-AWEZNQCLSA-N -1 3 366.508 3.013 20 0 FGADHM CC1CCN(CCNC(=O)c2cc(NC(=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000828290234 601980290 /nfs/dbraw/zinc/98/02/90/601980290.db2.gz VJAXLHKYCHJCHN-UHFFFAOYSA-N -1 3 373.375 3.257 20 0 FGADHM CCCNC(=O)[C@H]1CCCN([C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)C1 ZINC000829508000 602037048 /nfs/dbraw/zinc/03/70/48/602037048.db2.gz MOYCOJARSXNJMJ-NHYWBVRUSA-N -1 3 373.280 3.357 20 0 FGADHM COc1cc(OC)cc([C@@H](NCc2ccc(OC(F)F)cc2)C(=O)[O-])c1 ZINC000832056544 602164250 /nfs/dbraw/zinc/16/42/50/602164250.db2.gz GFGVAPSVYNWFIX-MRXNPFEDSA-N -1 3 367.348 3.221 20 0 FGADHM CC[C@](C)(CC(=O)[O-])NCc1nc2cc(C(F)(F)F)ccc2c(=O)[nH]1 ZINC000828671711 602215959 /nfs/dbraw/zinc/21/59/59/602215959.db2.gz FUMUQPPKYDZDRX-OAHLLOKOSA-N -1 3 357.332 3.087 20 0 FGADHM Cc1cccc(CN(CCN(C)C)C(=O)c2ccc(NC(=O)[O-])cc2)c1 ZINC000738308362 602312343 /nfs/dbraw/zinc/31/23/43/602312343.db2.gz QXYLVIPRZWSYOW-UHFFFAOYSA-N -1 3 355.438 3.289 20 0 FGADHM O=C([O-])C[N@H+](Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1)C1CCCC1 ZINC000833248951 602338295 /nfs/dbraw/zinc/33/82/95/602338295.db2.gz JTHFHFMJIZRITJ-UHFFFAOYSA-N -1 3 373.434 3.486 20 0 FGADHM O=C([O-])C[N@@H+](Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1)C1CCCC1 ZINC000833248951 602338296 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CC[C@@H](CC(=O)NCc1ccc(OC)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000825082103 607585555 /nfs/dbraw/zinc/58/55/55/607585555.db2.gz QGWBQNXJGAVVKY-HNNXBMFYSA-N -1 3 365.437 3.075 20 0 FGADHM CC(C)[C@H](CNCc1c(Cl)n(C)nc1-c1ccccc1)NC(=O)[O-] ZINC000738794856 602928459 /nfs/dbraw/zinc/92/84/59/602928459.db2.gz SKKSYNZESHAQRH-AWEZNQCLSA-N -1 3 350.850 3.122 20 0 FGADHM CN(CCNC(=O)Nc1cc(NC(=O)[O-])ccc1F)Cc1ccccc1 ZINC000739695217 603039610 /nfs/dbraw/zinc/03/96/10/603039610.db2.gz UWIBMKDTTBJRLN-UHFFFAOYSA-N -1 3 360.389 3.169 20 0 FGADHM CC(C)[C@@](C)(CNC(=O)[O-])NCC(=O)Nc1cccc(Cl)c1Cl ZINC000738773707 603078352 /nfs/dbraw/zinc/07/83/52/603078352.db2.gz UZPCUWPRFUHWHR-OAHLLOKOSA-N -1 3 362.257 3.204 20 0 FGADHM CCN(CC)[C@H](CNC(=O)[C@@H]1CCC[C@H](NC(=O)[O-])C1)c1ccsc1 ZINC000739406829 603239960 /nfs/dbraw/zinc/23/99/60/603239960.db2.gz HCGJAOWGQFPTSI-VNQPRFMTSA-N -1 3 367.515 3.074 20 0 FGADHM C[C@H](C(=O)NCc1ccccc1CN(C)C)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823704276 603245436 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Cc1coc(-c2cccc(NC(=O)c3ccc(-c4nn[n-]n4)cc3C)c2)n1 ZINC000826320353 607706757 /nfs/dbraw/zinc/70/67/57/607706757.db2.gz NOFLURUCTMPQFQ-UHFFFAOYSA-N -1 3 360.377 3.391 20 0 FGADHM Cc1ccc(CN(Cc2ccco2)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)s1 ZINC000826288046 607708847 /nfs/dbraw/zinc/70/88/47/607708847.db2.gz ORTBULIBAVNXBZ-UHFFFAOYSA-N -1 3 368.422 3.000 20 0 FGADHM Cc1ccc(CN(Cc2ccco2)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)s1 ZINC000826288046 607708849 /nfs/dbraw/zinc/70/88/49/607708849.db2.gz ORTBULIBAVNXBZ-UHFFFAOYSA-N -1 3 368.422 3.000 20 0 FGADHM C[C@H](CN(CC(=O)N(C)[C@@H](C)c1cc2ccccc2o1)C1CC1)C(=O)[O-] ZINC000827449866 604745487 /nfs/dbraw/zinc/74/54/87/604745487.db2.gz PDQRQCNBKBIKHN-KGLIPLIRSA-N -1 3 358.438 3.137 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C[C@H](C)c1ccc(F)cc1F ZINC000826185492 607713214 /nfs/dbraw/zinc/71/32/14/607713214.db2.gz LIMGKPYCFQANDV-JTQLQIEISA-N -1 3 373.363 3.286 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C[C@H](C)c1ccc(F)cc1F ZINC000826185492 607713216 /nfs/dbraw/zinc/71/32/16/607713216.db2.gz LIMGKPYCFQANDV-JTQLQIEISA-N -1 3 373.363 3.286 20 0 FGADHM C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1Cc1ccc(C(=O)[O-])cc1F ZINC000833594646 604767566 /nfs/dbraw/zinc/76/75/66/604767566.db2.gz FHPMSQDNUOXSPU-STQMWFEESA-N -1 3 366.433 3.259 20 0 FGADHM COc1cc(N[C@H]2CCCN(Cc3occc3C(=O)[O-])C2)cc(OC)c1 ZINC000832026126 604799085 /nfs/dbraw/zinc/79/90/85/604799085.db2.gz HCMZXBKJKNCXPB-ZDUSSCGKSA-N -1 3 360.410 3.072 20 0 FGADHM CC[C@H](CNC(=O)c1ccc(C(=O)[O-])c(F)c1)N1CCc2ccccc2C1 ZINC000828884180 604810438 /nfs/dbraw/zinc/81/04/38/604810438.db2.gz PFKXVTRUNFQEDW-QGZVFWFLSA-N -1 3 370.424 3.091 20 0 FGADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cc2nc(-c3ccc(F)c(F)c3)no2)C1 ZINC000833420787 604950929 /nfs/dbraw/zinc/95/09/29/604950929.db2.gz ZCKKPICTDKRATC-GFCCVEGCSA-N -1 3 365.380 3.338 20 0 FGADHM Cc1cc(NCc2ncccc2F)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000826271270 607729943 /nfs/dbraw/zinc/72/99/43/607729943.db2.gz KMSHKYNWYGEUQB-UHFFFAOYSA-N -1 3 374.383 3.122 20 0 FGADHM Cc1cc(NCc2ncccc2F)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC000826271270 607729945 /nfs/dbraw/zinc/72/99/45/607729945.db2.gz KMSHKYNWYGEUQB-UHFFFAOYSA-N -1 3 374.383 3.122 20 0 FGADHM CCc1oc(C(=O)[O-])cc1CN1C[C@H](CNC(=O)OC(C)(C)C)C[C@H]1C ZINC000833677958 605089086 /nfs/dbraw/zinc/08/90/86/605089086.db2.gz GQJZALMAJVVWNH-OLZOCXBDSA-N -1 3 366.458 3.275 20 0 FGADHM CCN(Cc1nc(C2CCCC2)no1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825444627 607738292 /nfs/dbraw/zinc/73/82/92/607738292.db2.gz PKSFQSALISCLRC-ZDUSSCGKSA-N -1 3 367.457 3.490 20 0 FGADHM CCN(Cc1nc(C2CCCC2)no1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825444627 607738293 /nfs/dbraw/zinc/73/82/93/607738293.db2.gz PKSFQSALISCLRC-ZDUSSCGKSA-N -1 3 367.457 3.490 20 0 FGADHM O=C([O-])c1ccc(OC[C@@H](O)CNC2(c3cccc(Cl)c3)CC2)cc1 ZINC000833782373 605144370 /nfs/dbraw/zinc/14/43/70/605144370.db2.gz NDTZNGGVAKMHFF-INIZCTEOSA-N -1 3 361.825 3.057 20 0 FGADHM C[C@@H]1CCC[C@H](NC(=O)CN[C@H](c2ccccc2)C(C)(C)C(=O)[O-])[C@@H]1C ZINC000833611616 605181327 /nfs/dbraw/zinc/18/13/27/605181327.db2.gz YQQCRFDBAHPAKK-IIHSZXCVSA-N -1 3 360.498 3.369 20 0 FGADHM CC(C)N(CC(F)(F)F)C(=O)CN[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000833496826 605183754 /nfs/dbraw/zinc/18/37/54/605183754.db2.gz SKWCOQBXXZYEMU-HNNXBMFYSA-N -1 3 374.403 3.227 20 0 FGADHM CCc1oc(C(=O)[O-])cc1CN1CC[C@](O)(Cc2cccc(Cl)c2)C1 ZINC000833679238 605216229 /nfs/dbraw/zinc/21/62/29/605216229.db2.gz WXZDNRZEWMBEHP-IBGZPJMESA-N -1 3 363.841 3.373 20 0 FGADHM C[C@H](c1ccccc1)N(CC1CCC1)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000824769837 607741835 /nfs/dbraw/zinc/74/18/35/607741835.db2.gz BZUBSTPWTUBETR-CYBMUJFWSA-N -1 3 350.426 3.198 20 0 FGADHM C[C@H](c1ccccc1)N(CC1CCC1)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000824769837 607741836 /nfs/dbraw/zinc/74/18/36/607741836.db2.gz BZUBSTPWTUBETR-CYBMUJFWSA-N -1 3 350.426 3.198 20 0 FGADHM C[C@@H]1CN(C(C)(C)CN[C@@H](C(=O)[O-])c2c(F)cccc2Cl)C[C@@H](C)O1 ZINC000833620090 605355558 /nfs/dbraw/zinc/35/55/58/605355558.db2.gz CJAWSDFVXZVSKZ-XHBSWPGZSA-N -1 3 372.868 3.082 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1CN1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000826371398 607752977 /nfs/dbraw/zinc/75/29/77/607752977.db2.gz FFWDWAFLZDOMRG-CQSZACIVSA-N -1 3 373.819 3.313 20 0 FGADHM O=C([O-])N[C@@H]1CCC[C@H]2CN(Cc3coc(-c4ccc(F)cc4)n3)C[C@H]21 ZINC000834186928 605433431 /nfs/dbraw/zinc/43/34/31/605433431.db2.gz XQNQRCYOTWHAQH-IAOVAPTHSA-N -1 3 359.401 3.349 20 0 FGADHM O=C([O-])NC[C@@H]1CCCN(Cc2ccccc2OCc2cccnc2)C1 ZINC000834214256 605554186 /nfs/dbraw/zinc/55/41/86/605554186.db2.gz GIGOPNKAEXEVEZ-INIZCTEOSA-N -1 3 355.438 3.140 20 0 FGADHM CC(C)(COc1ccc(C(F)(F)F)cn1)NCc1occc1C(=O)[O-] ZINC000833461768 605555368 /nfs/dbraw/zinc/55/53/68/605555368.db2.gz KCGDXYUIOLWERO-UHFFFAOYSA-N -1 3 358.316 3.339 20 0 FGADHM CSc1nc(C2CC2)cc(C(=O)N[C@H](C)CC(C)C)c1-c1nnn[n-]1 ZINC000826231778 607763498 /nfs/dbraw/zinc/76/34/98/607763498.db2.gz YVVVWVOHCHMONL-SNVBAGLBSA-N -1 3 360.487 3.025 20 0 FGADHM CC[C@H](CSc1ccccc1)NC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000825128726 607772250 /nfs/dbraw/zinc/77/22/50/607772250.db2.gz XYFXSNLTISWDEX-MRXNPFEDSA-N -1 3 367.478 3.096 20 0 FGADHM CC[C@H](CSc1ccccc1)NC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000825128726 607772251 /nfs/dbraw/zinc/77/22/51/607772251.db2.gz XYFXSNLTISWDEX-MRXNPFEDSA-N -1 3 367.478 3.096 20 0 FGADHM O=C([O-])N[C@@H]1C[C@H](NCc2ccc3c(c2)OCCCO3)c2ccccc21 ZINC000834159770 605798399 /nfs/dbraw/zinc/79/83/99/605798399.db2.gz XDCLQEDLZPKGHP-DLBZAZTESA-N -1 3 354.406 3.391 20 0 FGADHM O=C([O-])N1CCC2(CCN(Cc3cc(-c4ccc(F)cc4)no3)C2)CC1 ZINC000834092818 605898071 /nfs/dbraw/zinc/89/80/71/605898071.db2.gz ZKXONYHIAWAKTJ-UHFFFAOYSA-N -1 3 359.401 3.447 20 0 FGADHM Fc1cccc(Oc2ncccc2CNc2ccc(-c3nnn[n-]3)nc2)c1 ZINC000822792485 606045182 /nfs/dbraw/zinc/04/51/82/606045182.db2.gz YMTDFDQRTXFRIV-UHFFFAOYSA-N -1 3 363.356 3.200 20 0 FGADHM Fc1cccc(Oc2ncccc2CNc2ccc(-c3nn[n-]n3)nc2)c1 ZINC000822792485 606045185 /nfs/dbraw/zinc/04/51/85/606045185.db2.gz YMTDFDQRTXFRIV-UHFFFAOYSA-N -1 3 363.356 3.200 20 0 FGADHM CCn1cc(C2CCN(c3nc4ccccc4cc3-c3nnn[n-]3)CC2)cn1 ZINC000821565330 606068669 /nfs/dbraw/zinc/06/86/69/606068669.db2.gz NWSLCMXWIKIBPQ-UHFFFAOYSA-N -1 3 374.452 3.015 20 0 FGADHM CCn1cc(C2CCN(c3nc4ccccc4cc3-c3nn[n-]n3)CC2)cn1 ZINC000821565330 606068674 /nfs/dbraw/zinc/06/86/74/606068674.db2.gz NWSLCMXWIKIBPQ-UHFFFAOYSA-N -1 3 374.452 3.015 20 0 FGADHM c1ccc2nc(NC[C@@H]3OCCc4ccccc43)c(-c3nnn[n-]3)cc2c1 ZINC000823797420 606085830 /nfs/dbraw/zinc/08/58/30/606085830.db2.gz OIASLDJMALRKLW-SFHVURJKSA-N -1 3 358.405 3.141 20 0 FGADHM c1ccc2nc(NC[C@@H]3OCCc4ccccc43)c(-c3nn[n-]n3)cc2c1 ZINC000823797420 606085834 /nfs/dbraw/zinc/08/58/34/606085834.db2.gz OIASLDJMALRKLW-SFHVURJKSA-N -1 3 358.405 3.141 20 0 FGADHM CC(C)c1csc([C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nc3)C2)n1 ZINC000820197990 606091282 /nfs/dbraw/zinc/09/12/82/606091282.db2.gz QBMMVIXKZGZFHI-GFCCVEGCSA-N -1 3 355.471 3.226 20 0 FGADHM CC(C)c1csc([C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nc3)C2)n1 ZINC000820197990 606091287 /nfs/dbraw/zinc/09/12/87/606091287.db2.gz QBMMVIXKZGZFHI-GFCCVEGCSA-N -1 3 355.471 3.226 20 0 FGADHM C[C@@H]1c2ccccc2CN1C(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000820825678 606104524 /nfs/dbraw/zinc/10/45/24/606104524.db2.gz AYXICSNGUYXQKU-CYBMUJFWSA-N -1 3 365.462 3.203 20 0 FGADHM C[C@@H]1c2ccccc2CN1C(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000820825678 606104525 /nfs/dbraw/zinc/10/45/25/606104525.db2.gz AYXICSNGUYXQKU-CYBMUJFWSA-N -1 3 365.462 3.203 20 0 FGADHM C[C@@H](NC(=O)c1scnc1C(C)(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820403795 606122173 /nfs/dbraw/zinc/12/21/73/606122173.db2.gz MTCIUWUAKGDHEC-SNVBAGLBSA-N -1 3 356.455 3.112 20 0 FGADHM C[C@@H](NC(=O)c1scnc1C(C)(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820403795 606122175 /nfs/dbraw/zinc/12/21/75/606122175.db2.gz MTCIUWUAKGDHEC-SNVBAGLBSA-N -1 3 356.455 3.112 20 0 FGADHM O=C(OCc1cn2ccccc2c1-c1nnn[n-]1)c1cccc2cnccc21 ZINC000823440384 606133865 /nfs/dbraw/zinc/13/38/65/606133865.db2.gz QPYJSVSAYDVAFC-UHFFFAOYSA-N -1 3 370.372 3.025 20 0 FGADHM O=C(OCc1cn2ccccc2c1-c1nn[n-]n1)c1cccc2cnccc21 ZINC000823440384 606133866 /nfs/dbraw/zinc/13/38/66/606133866.db2.gz QPYJSVSAYDVAFC-UHFFFAOYSA-N -1 3 370.372 3.025 20 0 FGADHM CC[C@H](Oc1cccc(C)c1)C(=O)OCc1cccc(-c2nnn[n-]2)c1 ZINC000820938284 606140254 /nfs/dbraw/zinc/14/02/54/606140254.db2.gz HZTNCMPZLDDVLH-KRWDZBQOSA-N -1 3 352.394 3.076 20 0 FGADHM CC[C@H](Oc1cccc(C)c1)C(=O)OCc1cccc(-c2nn[n-]n2)c1 ZINC000820938284 606140256 /nfs/dbraw/zinc/14/02/56/606140256.db2.gz HZTNCMPZLDDVLH-KRWDZBQOSA-N -1 3 352.394 3.076 20 0 FGADHM Cc1cnc([C@@H](C)NC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)s1 ZINC000822389266 606150729 /nfs/dbraw/zinc/15/07/29/606150729.db2.gz QNJDCTCAQAQFSQ-MRVPVSSYSA-N -1 3 363.834 3.168 20 0 FGADHM Cc1cnc([C@@H](C)NC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)s1 ZINC000822389266 606150730 /nfs/dbraw/zinc/15/07/30/606150730.db2.gz QNJDCTCAQAQFSQ-MRVPVSSYSA-N -1 3 363.834 3.168 20 0 FGADHM O=[S@](Cc1ccc(-c2nnn[n-]2)cc1)c1cccc(C(F)(F)F)c1 ZINC000823612879 606156224 /nfs/dbraw/zinc/15/62/24/606156224.db2.gz FPNOJTRGDPEGFI-XMMPIXPASA-N -1 3 352.341 3.193 20 0 FGADHM O=[S@](Cc1ccc(-c2nn[n-]n2)cc1)c1cccc(C(F)(F)F)c1 ZINC000823612879 606156225 /nfs/dbraw/zinc/15/62/25/606156225.db2.gz FPNOJTRGDPEGFI-XMMPIXPASA-N -1 3 352.341 3.193 20 0 FGADHM CO[C@@H](C)c1nc(CN(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)cs1 ZINC000821675976 606159908 /nfs/dbraw/zinc/15/99/08/606159908.db2.gz YFMZWKXPCIDVPX-ZDUSSCGKSA-N -1 3 372.498 3.441 20 0 FGADHM CO[C@@H](C)c1nc(CN(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)cs1 ZINC000821675976 606159910 /nfs/dbraw/zinc/15/99/10/606159910.db2.gz YFMZWKXPCIDVPX-ZDUSSCGKSA-N -1 3 372.498 3.441 20 0 FGADHM C[C@H]1CSc2ccccc2N1C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000820813864 606190006 /nfs/dbraw/zinc/19/00/06/606190006.db2.gz OKJVMWNPDYDYPP-ZDUSSCGKSA-N -1 3 365.462 3.327 20 0 FGADHM C[C@H]1CSc2ccccc2N1C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000820813864 606190008 /nfs/dbraw/zinc/19/00/08/606190008.db2.gz OKJVMWNPDYDYPP-ZDUSSCGKSA-N -1 3 365.462 3.327 20 0 FGADHM c1sc(CCc2ccccc2)nc1CNc1ncccc1-c1nnn[n-]1 ZINC000823780972 606233871 /nfs/dbraw/zinc/23/38/71/606233871.db2.gz XUAFUCRUVYAWEL-UHFFFAOYSA-N -1 3 363.450 3.116 20 0 FGADHM c1sc(CCc2ccccc2)nc1CNc1ncccc1-c1nn[n-]n1 ZINC000823780972 606233873 /nfs/dbraw/zinc/23/38/73/606233873.db2.gz XUAFUCRUVYAWEL-UHFFFAOYSA-N -1 3 363.450 3.116 20 0 FGADHM Cc1ccc(N[C@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)cc1Cl ZINC000822255331 606245481 /nfs/dbraw/zinc/24/54/81/606245481.db2.gz ZCVIKDJSYNKXFT-ZDUSSCGKSA-N -1 3 374.857 3.107 20 0 FGADHM Cc1ccc(N[C@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)cc1Cl ZINC000822255331 606245483 /nfs/dbraw/zinc/24/54/83/606245483.db2.gz ZCVIKDJSYNKXFT-ZDUSSCGKSA-N -1 3 374.857 3.107 20 0 FGADHM COc1cccc(C(C)=CC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000821860236 606245692 /nfs/dbraw/zinc/24/56/92/606245692.db2.gz ZCXSWWLYVMODSG-FLIBITNWSA-N -1 3 353.357 3.056 20 0 FGADHM COc1cccc(C(C)=CC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000821860236 606245693 /nfs/dbraw/zinc/24/56/93/606245693.db2.gz ZCXSWWLYVMODSG-FLIBITNWSA-N -1 3 353.357 3.056 20 0 FGADHM COc1cccc(C(C)=CC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000821859703 606259265 /nfs/dbraw/zinc/25/92/65/606259265.db2.gz RSPZKKRMNSOGEO-ZVHGMHCTSA-N -1 3 363.421 3.156 20 0 FGADHM COc1cccc(C(C)=CC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000821859703 606259266 /nfs/dbraw/zinc/25/92/66/606259266.db2.gz RSPZKKRMNSOGEO-ZVHGMHCTSA-N -1 3 363.421 3.156 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)[C@H]1CCSc2ccccc21 ZINC000823344099 606265948 /nfs/dbraw/zinc/26/59/48/606265948.db2.gz QKIJHJGLJQNYCF-LBPRGKRZSA-N -1 3 355.398 3.224 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)[C@H]1CCSc2ccccc21 ZINC000823344099 606265949 /nfs/dbraw/zinc/26/59/49/606265949.db2.gz QKIJHJGLJQNYCF-LBPRGKRZSA-N -1 3 355.398 3.224 20 0 FGADHM CCOc1ccc(SCC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000821426725 606267858 /nfs/dbraw/zinc/26/78/58/606267858.db2.gz HMJLOVBCZHCYJU-UHFFFAOYSA-N -1 3 373.413 3.135 20 0 FGADHM CCOc1ccc(SCC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000821426725 606267859 /nfs/dbraw/zinc/26/78/59/606267859.db2.gz HMJLOVBCZHCYJU-UHFFFAOYSA-N -1 3 373.413 3.135 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)[C@@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000823344001 606269182 /nfs/dbraw/zinc/26/91/82/606269182.db2.gz NNAZBEGYYXSLIO-CHWSQXEVSA-N -1 3 357.776 3.401 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)[C@@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000823344001 606269183 /nfs/dbraw/zinc/26/91/83/606269183.db2.gz NNAZBEGYYXSLIO-CHWSQXEVSA-N -1 3 357.776 3.401 20 0 FGADHM CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820939253 606273075 /nfs/dbraw/zinc/27/30/75/606273075.db2.gz RSORXPCMFOGVFU-MRXNPFEDSA-N -1 3 355.373 3.110 20 0 FGADHM CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820939253 606273076 /nfs/dbraw/zinc/27/30/76/606273076.db2.gz RSORXPCMFOGVFU-MRXNPFEDSA-N -1 3 355.373 3.110 20 0 FGADHM COC(=O)[C@@H](Nc1ccc(C)c(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000821644873 606297163 /nfs/dbraw/zinc/29/71/63/606297163.db2.gz LKUDKXLVSSSROE-HNNXBMFYSA-N -1 3 357.801 3.155 20 0 FGADHM COC(=O)[C@@H](Nc1ccc(C)c(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000821644873 606297165 /nfs/dbraw/zinc/29/71/65/606297165.db2.gz LKUDKXLVSSSROE-HNNXBMFYSA-N -1 3 357.801 3.155 20 0 FGADHM CC[C@H](N[C@H](C(=O)OC)c1cccc(-c2nnn[n-]2)c1)C1CCCCC1 ZINC000820921361 606303807 /nfs/dbraw/zinc/30/38/07/606303807.db2.gz YNUDFLNYRDWGJY-IRXDYDNUSA-N -1 3 357.458 3.029 20 0 FGADHM CC[C@H](N[C@H](C(=O)OC)c1cccc(-c2nn[n-]n2)c1)C1CCCCC1 ZINC000820921361 606303809 /nfs/dbraw/zinc/30/38/09/606303809.db2.gz YNUDFLNYRDWGJY-IRXDYDNUSA-N -1 3 357.458 3.029 20 0 FGADHM COC(=O)[C@H](N[C@@H](C)c1cccc(C)c1C)c1cccc(-c2nnn[n-]2)c1 ZINC000821640876 606306160 /nfs/dbraw/zinc/30/61/60/606306160.db2.gz QUGTZACVYZJYMA-KBXCAEBGSA-N -1 3 365.437 3.048 20 0 FGADHM COC(=O)[C@H](N[C@@H](C)c1cccc(C)c1C)c1cccc(-c2nn[n-]n2)c1 ZINC000821640876 606306162 /nfs/dbraw/zinc/30/61/62/606306162.db2.gz QUGTZACVYZJYMA-KBXCAEBGSA-N -1 3 365.437 3.048 20 0 FGADHM O=C(OCCCc1cn[nH]c1)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000823404565 606311580 /nfs/dbraw/zinc/31/15/80/606311580.db2.gz ABZKUMKINULQGR-UHFFFAOYSA-N -1 3 374.404 3.046 20 0 FGADHM O=C(OCCCc1cn[nH]c1)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000823404565 606311581 /nfs/dbraw/zinc/31/15/81/606311581.db2.gz ABZKUMKINULQGR-UHFFFAOYSA-N -1 3 374.404 3.046 20 0 FGADHM O=C(Nc1ccccc1Oc1cccc(F)c1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823373269 606317443 /nfs/dbraw/zinc/31/74/43/606317443.db2.gz VQWQNZMZSMGXGN-UHFFFAOYSA-N -1 3 364.340 3.379 20 0 FGADHM O=C(Nc1ccccc1Oc1cccc(F)c1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823373269 606317445 /nfs/dbraw/zinc/31/74/45/606317445.db2.gz VQWQNZMZSMGXGN-UHFFFAOYSA-N -1 3 364.340 3.379 20 0 FGADHM CN(C(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1ccc(Oc2ccccc2)cc1 ZINC000821573276 606318027 /nfs/dbraw/zinc/31/80/27/606318027.db2.gz IXHVANGJYSSTBZ-UHFFFAOYSA-N -1 3 360.377 3.264 20 0 FGADHM CN(C(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1ccc(Oc2ccccc2)cc1 ZINC000821573276 606318028 /nfs/dbraw/zinc/31/80/28/606318028.db2.gz IXHVANGJYSSTBZ-UHFFFAOYSA-N -1 3 360.377 3.264 20 0 FGADHM C[C@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)N(C)Cc1cccc(F)c1 ZINC000820555599 606326750 /nfs/dbraw/zinc/32/67/50/606326750.db2.gz NNZFSAZOVKGTSE-LBPRGKRZSA-N -1 3 371.441 3.145 20 0 FGADHM C[C@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)N(C)Cc1cccc(F)c1 ZINC000820555599 606326752 /nfs/dbraw/zinc/32/67/52/606326752.db2.gz NNZFSAZOVKGTSE-LBPRGKRZSA-N -1 3 371.441 3.145 20 0 FGADHM C[C@@H](OC(=O)C[C@@H]1CCOc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000820488356 606347417 /nfs/dbraw/zinc/34/74/17/606347417.db2.gz MYRDZMVHNSZYQJ-CJNGLKHVSA-N -1 3 364.405 3.427 20 0 FGADHM C[C@@H](OC(=O)C[C@@H]1CCOc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000820488356 606347418 /nfs/dbraw/zinc/34/74/18/606347418.db2.gz MYRDZMVHNSZYQJ-CJNGLKHVSA-N -1 3 364.405 3.427 20 0 FGADHM CN(CCc1ccc(Cl)cc1)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000821605082 606349761 /nfs/dbraw/zinc/34/97/61/606349761.db2.gz UPJGVADLBJWBLR-UHFFFAOYSA-N -1 3 374.807 3.366 20 0 FGADHM CN(CCc1ccc(Cl)cc1)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000821605082 606349763 /nfs/dbraw/zinc/34/97/63/606349763.db2.gz UPJGVADLBJWBLR-UHFFFAOYSA-N -1 3 374.807 3.366 20 0 FGADHM CC[C@@H](Cc1ccccc1)N(C)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820913958 606352618 /nfs/dbraw/zinc/35/26/18/606352618.db2.gz LUJWWHYYKVKLAV-HNNXBMFYSA-N -1 3 368.416 3.491 20 0 FGADHM CC[C@@H](Cc1ccccc1)N(C)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820913958 606352619 /nfs/dbraw/zinc/35/26/19/606352619.db2.gz LUJWWHYYKVKLAV-HNNXBMFYSA-N -1 3 368.416 3.491 20 0 FGADHM CCOc1cccc([C@H](C)NC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000821426695 606352665 /nfs/dbraw/zinc/35/26/65/606352665.db2.gz GHNSEARUWCILGA-NSHDSACASA-N -1 3 370.388 3.287 20 0 FGADHM CCOc1cccc([C@H](C)NC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000821426695 606352667 /nfs/dbraw/zinc/35/26/67/606352667.db2.gz GHNSEARUWCILGA-NSHDSACASA-N -1 3 370.388 3.287 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)NC1CC(c2ccccc2)C1 ZINC000823343751 606353093 /nfs/dbraw/zinc/35/30/93/606353093.db2.gz GBPYMDSECPUYGM-UHFFFAOYSA-N -1 3 352.373 3.074 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)NC1CC(c2ccccc2)C1 ZINC000823343751 606353096 /nfs/dbraw/zinc/35/30/96/606353096.db2.gz GBPYMDSECPUYGM-UHFFFAOYSA-N -1 3 352.373 3.074 20 0 FGADHM C[C@H](OC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820488812 606353854 /nfs/dbraw/zinc/35/38/54/606353854.db2.gz URCYNSRLXUARHF-YMRXKLBXSA-N -1 3 352.369 3.414 20 0 FGADHM C[C@H](OC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820488812 606353856 /nfs/dbraw/zinc/35/38/56/606353856.db2.gz URCYNSRLXUARHF-YMRXKLBXSA-N -1 3 352.369 3.414 20 0 FGADHM Cc1cccnc1[C@@H](NC(=O)Nc1ccc(F)cc1-c1nnn[n-]1)C(C)C ZINC000822369407 606358240 /nfs/dbraw/zinc/35/82/40/606358240.db2.gz IWVVDWXTZFBPSP-HNNXBMFYSA-N -1 3 369.404 3.228 20 0 FGADHM Cc1cccnc1[C@@H](NC(=O)Nc1ccc(F)cc1-c1nn[n-]n1)C(C)C ZINC000822369407 606358242 /nfs/dbraw/zinc/35/82/42/606358242.db2.gz IWVVDWXTZFBPSP-HNNXBMFYSA-N -1 3 369.404 3.228 20 0 FGADHM O=C(Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000823357443 606380031 /nfs/dbraw/zinc/38/00/31/606380031.db2.gz VRDHXQWZWGSIJR-QLPKVWCKSA-N -1 3 362.393 3.039 20 0 FGADHM O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000823357443 606380032 /nfs/dbraw/zinc/38/00/32/606380032.db2.gz VRDHXQWZWGSIJR-QLPKVWCKSA-N -1 3 362.393 3.039 20 0 FGADHM C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000820649227 606383510 /nfs/dbraw/zinc/38/35/10/606383510.db2.gz KAEGXYZZDKLSIJ-ABAIWWIYSA-N -1 3 360.437 3.020 20 0 FGADHM C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000820649227 606383511 /nfs/dbraw/zinc/38/35/11/606383511.db2.gz KAEGXYZZDKLSIJ-ABAIWWIYSA-N -1 3 360.437 3.020 20 0 FGADHM COc1cccc(C(C)=CC(=O)OCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821859844 606391796 /nfs/dbraw/zinc/39/17/96/606391796.db2.gz UCOGMVNJHKZWFB-JLHYYAGUSA-N -1 3 350.378 3.022 20 0 FGADHM COc1cccc(C(C)=CC(=O)OCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821859844 606391798 /nfs/dbraw/zinc/39/17/98/606391798.db2.gz UCOGMVNJHKZWFB-JLHYYAGUSA-N -1 3 350.378 3.022 20 0 FGADHM O=c1nc(-c2ccc(-c3nnn[n-]3)s2)[nH]c2sc3c(c21)CCCC3 ZINC000823657967 606394841 /nfs/dbraw/zinc/39/48/41/606394841.db2.gz XRKGBGUFJSBIMC-UHFFFAOYSA-N -1 3 356.436 3.184 20 0 FGADHM Cc1ccc(CCC(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)cc1 ZINC000822234613 606415530 /nfs/dbraw/zinc/41/55/30/606415530.db2.gz BHZHPEUQWBIAAG-UHFFFAOYSA-N -1 3 355.829 3.424 20 0 FGADHM Cc1ccc(CCC(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)cc1 ZINC000822234613 606415531 /nfs/dbraw/zinc/41/55/31/606415531.db2.gz BHZHPEUQWBIAAG-UHFFFAOYSA-N -1 3 355.829 3.424 20 0 FGADHM CC[C@H](Nc1cccc(F)c1-c1nnn[n-]1)[C@H](O)c1c(F)cccc1F ZINC000820925957 606419281 /nfs/dbraw/zinc/41/92/81/606419281.db2.gz NPZHZSNZCBDMKI-LRDDRELGSA-N -1 3 363.343 3.208 20 0 FGADHM CC[C@H](Nc1cccc(F)c1-c1nn[n-]n1)[C@H](O)c1c(F)cccc1F ZINC000820925957 606419283 /nfs/dbraw/zinc/41/92/83/606419283.db2.gz NPZHZSNZCBDMKI-LRDDRELGSA-N -1 3 363.343 3.208 20 0 FGADHM C[C@@H](Nc1cccc(F)c1-c1nnn[n-]1)c1noc(Cc2ccccc2)n1 ZINC000820460724 606430148 /nfs/dbraw/zinc/43/01/48/606430148.db2.gz AMFIGOLWFXPUOP-LLVKDONJSA-N -1 3 365.372 3.153 20 0 FGADHM C[C@@H](Nc1cccc(F)c1-c1nn[n-]n1)c1noc(Cc2ccccc2)n1 ZINC000820460724 606430149 /nfs/dbraw/zinc/43/01/49/606430149.db2.gz AMFIGOLWFXPUOP-LLVKDONJSA-N -1 3 365.372 3.153 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N(CC(F)F)c1ccccc1 ZINC000822928074 606431141 /nfs/dbraw/zinc/43/11/41/606431141.db2.gz DFVJHUXWLNHDDS-ZHACJKMWSA-N -1 3 355.348 3.178 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N(CC(F)F)c1ccccc1 ZINC000822928074 606431142 /nfs/dbraw/zinc/43/11/42/606431142.db2.gz DFVJHUXWLNHDDS-ZHACJKMWSA-N -1 3 355.348 3.178 20 0 FGADHM Fc1cc(F)c(F)c(CNc2c(-c3nnn[n-]3)cnc3ccccc32)c1F ZINC000822754389 606431838 /nfs/dbraw/zinc/43/18/38/606431838.db2.gz ZKRYKZMGBXRVOR-UHFFFAOYSA-N -1 3 374.301 3.005 20 0 FGADHM Fc1cc(F)c(F)c(CNc2c(-c3nn[n-]n3)cnc3ccccc32)c1F ZINC000822754389 606431840 /nfs/dbraw/zinc/43/18/40/606431840.db2.gz ZKRYKZMGBXRVOR-UHFFFAOYSA-N -1 3 374.301 3.005 20 0 FGADHM CCc1ccccc1NC(=O)CN(C)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000821497226 606439729 /nfs/dbraw/zinc/43/97/29/606439729.db2.gz QXENUGXDVCYTFN-UHFFFAOYSA-N -1 3 370.844 3.157 20 0 FGADHM CCc1ccccc1NC(=O)CN(C)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000821497226 606439730 /nfs/dbraw/zinc/43/97/30/606439730.db2.gz QXENUGXDVCYTFN-UHFFFAOYSA-N -1 3 370.844 3.157 20 0 FGADHM COc1ccc(OC)c([C@H]2CCCN2c2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000821843147 606443525 /nfs/dbraw/zinc/44/35/25/606443525.db2.gz ZDLGKPFEYBTGDK-MRXNPFEDSA-N -1 3 369.400 3.365 20 0 FGADHM COc1ccc(OC)c([C@H]2CCCN2c2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000821843147 606443527 /nfs/dbraw/zinc/44/35/27/606443527.db2.gz ZDLGKPFEYBTGDK-MRXNPFEDSA-N -1 3 369.400 3.365 20 0 FGADHM C[C@H](Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1nnc2ccccn21 ZINC000820456532 606448169 /nfs/dbraw/zinc/44/81/69/606448169.db2.gz UYQDLNDMENUSAO-VIFPVBQESA-N -1 3 374.330 3.101 20 0 FGADHM C[C@H](Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1nnc2ccccn21 ZINC000820456532 606448172 /nfs/dbraw/zinc/44/81/72/606448172.db2.gz UYQDLNDMENUSAO-VIFPVBQESA-N -1 3 374.330 3.101 20 0 FGADHM Fc1ccc(-c2nnn[n-]2)cc1CNc1ccc(-n2cccn2)c(Cl)c1 ZINC000822761240 606455618 /nfs/dbraw/zinc/45/56/18/606455618.db2.gz DKHRPLFYAZQEAN-UHFFFAOYSA-N -1 3 369.791 3.457 20 0 FGADHM Fc1ccc(-c2nn[n-]n2)cc1CNc1ccc(-n2cccn2)c(Cl)c1 ZINC000822761240 606455619 /nfs/dbraw/zinc/45/56/19/606455619.db2.gz DKHRPLFYAZQEAN-UHFFFAOYSA-N -1 3 369.791 3.457 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1nc(-c2cccs2)cs1 ZINC000823108738 606489874 /nfs/dbraw/zinc/48/98/74/606489874.db2.gz QULRXGVKUHDDSL-UHFFFAOYSA-N -1 3 368.447 3.233 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1nc(-c2cccs2)cs1 ZINC000823108738 606489875 /nfs/dbraw/zinc/48/98/75/606489875.db2.gz QULRXGVKUHDDSL-UHFFFAOYSA-N -1 3 368.447 3.233 20 0 FGADHM C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)cs1)c1ccc(F)c(Cl)c1 ZINC000820390322 606496893 /nfs/dbraw/zinc/49/68/93/606496893.db2.gz HEXFQDYKVKDISY-SSDOTTSWSA-N -1 3 351.794 3.212 20 0 FGADHM C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)cs1)c1ccc(F)c(Cl)c1 ZINC000820390322 606496894 /nfs/dbraw/zinc/49/68/94/606496894.db2.gz HEXFQDYKVKDISY-SSDOTTSWSA-N -1 3 351.794 3.212 20 0 FGADHM CCCOc1ccc([C@H](C)NC(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821127030 606504994 /nfs/dbraw/zinc/50/49/94/606504994.db2.gz AHFZGIXDTWSNDC-AWEZNQCLSA-N -1 3 365.437 3.075 20 0 FGADHM CCCOc1ccc([C@H](C)NC(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821127030 606504996 /nfs/dbraw/zinc/50/49/96/606504996.db2.gz AHFZGIXDTWSNDC-AWEZNQCLSA-N -1 3 365.437 3.075 20 0 FGADHM O=C(Nc1cnn(-c2ccccc2Cl)c1)c1cc(-c2nnn[n-]2)cs1 ZINC000823375973 606510220 /nfs/dbraw/zinc/51/02/20/606510220.db2.gz SFAZDKLGDHCYNX-UHFFFAOYSA-N -1 3 371.813 3.020 20 0 FGADHM O=C(Nc1cnn(-c2ccccc2Cl)c1)c1cc(-c2nn[n-]n2)cs1 ZINC000823375973 606510222 /nfs/dbraw/zinc/51/02/22/606510222.db2.gz SFAZDKLGDHCYNX-UHFFFAOYSA-N -1 3 371.813 3.020 20 0 FGADHM O=C(c1cc(-c2nnn[n-]2)cs1)N(CC(F)(F)F)c1ccccc1 ZINC000823466627 606510289 /nfs/dbraw/zinc/51/02/89/606510289.db2.gz MNBRVZDEBRFREB-UHFFFAOYSA-N -1 3 353.329 3.137 20 0 FGADHM O=C(c1cc(-c2nn[n-]n2)cs1)N(CC(F)(F)F)c1ccccc1 ZINC000823466627 606510290 /nfs/dbraw/zinc/51/02/90/606510290.db2.gz MNBRVZDEBRFREB-UHFFFAOYSA-N -1 3 353.329 3.137 20 0 FGADHM O=C(Nc1ccnc(Oc2ccccc2)c1)c1cc(-c2nnn[n-]2)cs1 ZINC000823372907 606511693 /nfs/dbraw/zinc/51/16/93/606511693.db2.gz NDFMKRPPEBYFBW-UHFFFAOYSA-N -1 3 364.390 3.368 20 0 FGADHM O=C(Nc1ccnc(Oc2ccccc2)c1)c1cc(-c2nn[n-]n2)cs1 ZINC000823372907 606511695 /nfs/dbraw/zinc/51/16/95/606511695.db2.gz NDFMKRPPEBYFBW-UHFFFAOYSA-N -1 3 364.390 3.368 20 0 FGADHM c1ccc(N(Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)CC2CC2)cc1 ZINC000823786671 606526229 /nfs/dbraw/zinc/52/62/29/606526229.db2.gz ATENWJUWBWPKKT-UHFFFAOYSA-N -1 3 373.420 3.333 20 0 FGADHM c1ccc(N(Cc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)CC2CC2)cc1 ZINC000823786671 606526230 /nfs/dbraw/zinc/52/62/30/606526230.db2.gz ATENWJUWBWPKKT-UHFFFAOYSA-N -1 3 373.420 3.333 20 0 FGADHM C[C@@H](NC(=O)N[C@H](C)c1ccc(F)cc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000820351675 606529210 /nfs/dbraw/zinc/52/92/10/606529210.db2.gz QULDXGMKZXSKQY-GHMZBOCLSA-N -1 3 372.379 3.266 20 0 FGADHM C[C@@H](NC(=O)N[C@H](C)c1ccc(F)cc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000820351675 606529213 /nfs/dbraw/zinc/52/92/13/606529213.db2.gz QULDXGMKZXSKQY-GHMZBOCLSA-N -1 3 372.379 3.266 20 0 FGADHM O=C(Nc1cccc(Oc2ccncc2)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823367560 606559087 /nfs/dbraw/zinc/55/90/87/606559087.db2.gz KNYMKFQYCOUTJE-UHFFFAOYSA-N -1 3 364.390 3.368 20 0 FGADHM C[C@@H](C(=O)OCc1ccc(-c2nnn[n-]2)cc1OC(F)F)C(C)(C)C ZINC000819882505 606559996 /nfs/dbraw/zinc/55/99/96/606559996.db2.gz AQHFJCKUZYLEKM-VIFPVBQESA-N -1 3 354.357 3.194 20 0 FGADHM C[C@@H](C(=O)OCc1ccc(-c2nn[n-]n2)cc1OC(F)F)C(C)(C)C ZINC000819882505 606559998 /nfs/dbraw/zinc/55/99/98/606559998.db2.gz AQHFJCKUZYLEKM-VIFPVBQESA-N -1 3 354.357 3.194 20 0 FGADHM CC(C)c1ccc(C(=O)COC(=O)c2cc(-c3nnn[n-]3)cs2)cc1 ZINC000820187581 606565252 /nfs/dbraw/zinc/56/52/52/606565252.db2.gz IGHHOYDMRNCVCR-UHFFFAOYSA-N -1 3 356.407 3.091 20 0 FGADHM CC(C)c1ccc(C(=O)COC(=O)c2cc(-c3nn[n-]n3)cs2)cc1 ZINC000820187581 606565254 /nfs/dbraw/zinc/56/52/54/606565254.db2.gz IGHHOYDMRNCVCR-UHFFFAOYSA-N -1 3 356.407 3.091 20 0 FGADHM CC1CC(NC(=O)NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)C1 ZINC000820657468 606586393 /nfs/dbraw/zinc/58/63/93/606586393.db2.gz LMIGXGCHCIORRU-UHFFFAOYSA-N -1 3 368.466 3.193 20 0 FGADHM CN(C)C(=O)Sc1ccc(COc2ccccc2-c2nnn[n-]2)cc1 ZINC000821578106 606589048 /nfs/dbraw/zinc/58/90/48/606589048.db2.gz NXKKERCAXAQTRU-UHFFFAOYSA-N -1 3 355.423 3.219 20 0 FGADHM CN(C)C(=O)Sc1ccc(COc2ccccc2-c2nn[n-]n2)cc1 ZINC000821578106 606589049 /nfs/dbraw/zinc/58/90/49/606589049.db2.gz NXKKERCAXAQTRU-UHFFFAOYSA-N -1 3 355.423 3.219 20 0 FGADHM C[C@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)[C@@H]1Oc2ccccc2[C@H]1C ZINC000820462011 606592083 /nfs/dbraw/zinc/59/20/83/606592083.db2.gz UFCHXEGBUFBLQN-HFBDOXOYSA-N -1 3 356.817 3.280 20 0 FGADHM C[C@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)[C@@H]1Oc2ccccc2[C@H]1C ZINC000820462011 606592085 /nfs/dbraw/zinc/59/20/85/606592085.db2.gz UFCHXEGBUFBLQN-HFBDOXOYSA-N -1 3 356.817 3.280 20 0 FGADHM CCOc1ccccc1NCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000821437769 606596841 /nfs/dbraw/zinc/59/68/41/606596841.db2.gz RRXJGCIUAJTHFO-UHFFFAOYSA-N -1 3 361.352 3.479 20 0 FGADHM CCOc1ccccc1NCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000821437769 606596842 /nfs/dbraw/zinc/59/68/42/606596842.db2.gz RRXJGCIUAJTHFO-UHFFFAOYSA-N -1 3 361.352 3.479 20 0 FGADHM O=C(c1cccc(-c2nnn[n-]2)c1)N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000823487655 606602548 /nfs/dbraw/zinc/60/25/48/606602548.db2.gz FFTSPOGLGXDARY-QGZVFWFLSA-N -1 3 351.385 3.373 20 0 FGADHM O=C(c1cccc(-c2nn[n-]n2)c1)N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000823487655 606602550 /nfs/dbraw/zinc/60/25/50/606602550.db2.gz FFTSPOGLGXDARY-QGZVFWFLSA-N -1 3 351.385 3.373 20 0 FGADHM Cc1noc(C2CCC(Nc3ccc(-c4nnn[n-]4)c(Cl)c3)CC2)n1 ZINC000822528101 606610391 /nfs/dbraw/zinc/61/03/91/606610391.db2.gz SGVSEHIJZVSOSZ-UHFFFAOYSA-N -1 3 359.821 3.350 20 0 FGADHM Cc1noc(C2CCC(Nc3ccc(-c4nn[n-]n4)c(Cl)c3)CC2)n1 ZINC000822528101 606610393 /nfs/dbraw/zinc/61/03/93/606610393.db2.gz SGVSEHIJZVSOSZ-UHFFFAOYSA-N -1 3 359.821 3.350 20 0 FGADHM Cc1noc(C2CCC(Nc3c(Cl)cccc3-c3nnn[n-]3)CC2)n1 ZINC000822528193 606610423 /nfs/dbraw/zinc/61/04/23/606610423.db2.gz WROKBMBMMNSYTE-UHFFFAOYSA-N -1 3 359.821 3.350 20 0 FGADHM Cc1noc(C2CCC(Nc3c(Cl)cccc3-c3nn[n-]n3)CC2)n1 ZINC000822528193 606610425 /nfs/dbraw/zinc/61/04/25/606610425.db2.gz WROKBMBMMNSYTE-UHFFFAOYSA-N -1 3 359.821 3.350 20 0 FGADHM C[C@H](Nc1ncccc1-c1nnn[n-]1)c1cccc(OC(F)(F)F)c1 ZINC000820461326 606634518 /nfs/dbraw/zinc/63/45/18/606634518.db2.gz HKXXUQVWIUWBHZ-VIFPVBQESA-N -1 3 350.304 3.333 20 0 FGADHM C[C@H](Nc1ncccc1-c1nn[n-]n1)c1cccc(OC(F)(F)F)c1 ZINC000820461326 606634519 /nfs/dbraw/zinc/63/45/19/606634519.db2.gz HKXXUQVWIUWBHZ-VIFPVBQESA-N -1 3 350.304 3.333 20 0 FGADHM OCCNc1ccc(Oc2ccc(C(F)(F)F)cc2)c(-c2nnn[n-]2)c1 ZINC000823721656 606639093 /nfs/dbraw/zinc/63/90/93/606639093.db2.gz GFQDGQGRSLVTJJ-UHFFFAOYSA-N -1 3 365.315 3.082 20 0 FGADHM OCCNc1ccc(Oc2ccc(C(F)(F)F)cc2)c(-c2nn[n-]n2)c1 ZINC000823721656 606639094 /nfs/dbraw/zinc/63/90/94/606639094.db2.gz GFQDGQGRSLVTJJ-UHFFFAOYSA-N -1 3 365.315 3.082 20 0 FGADHM O=C(c1cccc(-c2nnn[n-]2)c1)N1CCCCC[C@H]1[C@H]1CCCCC1=O ZINC000823525912 606659326 /nfs/dbraw/zinc/65/93/26/606659326.db2.gz VRCDGUCYXHLWJT-SJORKVTESA-N -1 3 367.453 3.011 20 0 FGADHM O=C(c1cccc(-c2nn[n-]n2)c1)N1CCCCC[C@H]1[C@H]1CCCCC1=O ZINC000823525912 606659327 /nfs/dbraw/zinc/65/93/27/606659327.db2.gz VRCDGUCYXHLWJT-SJORKVTESA-N -1 3 367.453 3.011 20 0 FGADHM O=C(c1sccc1-c1nnn[n-]1)N1CCCCC[C@@H]1[C@H]1CCCCC1=O ZINC000823524752 606659420 /nfs/dbraw/zinc/65/94/20/606659420.db2.gz BNLDHGYFFKXMJB-TZMCWYRMSA-N -1 3 373.482 3.072 20 0 FGADHM O=C(c1sccc1-c1nn[n-]n1)N1CCCCC[C@@H]1[C@H]1CCCCC1=O ZINC000823524752 606659421 /nfs/dbraw/zinc/65/94/21/606659421.db2.gz BNLDHGYFFKXMJB-TZMCWYRMSA-N -1 3 373.482 3.072 20 0 FGADHM Cc1cccc(C)c1NCC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000822293706 606661698 /nfs/dbraw/zinc/66/16/98/606661698.db2.gz IUAPIPPVESONML-UHFFFAOYSA-N -1 3 356.817 3.188 20 0 FGADHM Cc1cccc(C)c1NCC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000822293706 606661699 /nfs/dbraw/zinc/66/16/99/606661699.db2.gz IUAPIPPVESONML-UHFFFAOYSA-N -1 3 356.817 3.188 20 0 FGADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCC2)[C@@H]1C[C@@H]1Cc1ccccc1 ZINC000823382649 606664968 /nfs/dbraw/zinc/66/49/68/606664968.db2.gz BWQFMUZVFBFOGK-GXTWGEPZSA-N -1 3 365.462 3.234 20 0 FGADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCC2)[C@@H]1C[C@@H]1Cc1ccccc1 ZINC000823382649 606664969 /nfs/dbraw/zinc/66/49/69/606664969.db2.gz BWQFMUZVFBFOGK-GXTWGEPZSA-N -1 3 365.462 3.234 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[C@@H]1C[C@H]1Cc1ccccc1 ZINC000823303881 606665513 /nfs/dbraw/zinc/66/55/13/606665513.db2.gz XOZSCQWSIJWGMN-IUODEOHRSA-N -1 3 353.813 3.337 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)[C@@H]1C[C@H]1Cc1ccccc1 ZINC000823303881 606665514 /nfs/dbraw/zinc/66/55/14/606665514.db2.gz XOZSCQWSIJWGMN-IUODEOHRSA-N -1 3 353.813 3.337 20 0 FGADHM CC[C@H](NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1ccc(OC)cc1 ZINC000820920403 606666960 /nfs/dbraw/zinc/66/69/60/606666960.db2.gz PPHCIWFHXVTBPV-HNNXBMFYSA-N -1 3 373.363 3.035 20 0 FGADHM CC[C@H](NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccc(OC)cc1 ZINC000820920403 606666961 /nfs/dbraw/zinc/66/69/61/606666961.db2.gz PPHCIWFHXVTBPV-HNNXBMFYSA-N -1 3 373.363 3.035 20 0 FGADHM CC(C)CN(C(=O)Cc1cccc(F)c1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000820081669 606670234 /nfs/dbraw/zinc/67/02/34/606670234.db2.gz QCWKEMUERGIIMW-UHFFFAOYSA-N -1 3 371.391 3.377 20 0 FGADHM CC(C)CN(C(=O)Cc1cccc(F)c1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000820081669 606670235 /nfs/dbraw/zinc/67/02/35/606670235.db2.gz QCWKEMUERGIIMW-UHFFFAOYSA-N -1 3 371.391 3.377 20 0 FGADHM CCc1ccc(N(CC)C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1 ZINC000821486233 606670980 /nfs/dbraw/zinc/67/09/80/606670980.db2.gz AISWOICUECBACK-UHFFFAOYSA-N -1 3 357.364 3.374 20 0 FGADHM CCc1ccc(N(CC)C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1 ZINC000821486233 606670981 /nfs/dbraw/zinc/67/09/81/606670981.db2.gz AISWOICUECBACK-UHFFFAOYSA-N -1 3 357.364 3.374 20 0 FGADHM C[C@@H]1CCN(C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)[C@H](c2ccco2)C1 ZINC000820717372 606684109 /nfs/dbraw/zinc/68/41/09/606684109.db2.gz QGBKRVNBYJAYNF-YGRLFVJLSA-N -1 3 373.363 3.351 20 0 FGADHM C[C@@H]1CCN(C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)[C@H](c2ccco2)C1 ZINC000820717372 606684110 /nfs/dbraw/zinc/68/41/10/606684110.db2.gz QGBKRVNBYJAYNF-YGRLFVJLSA-N -1 3 373.363 3.351 20 0 FGADHM C[C@@H](OC(=O)CCc1ccc(-c2nnn[n-]2)cc1)c1cc(F)cc(F)c1 ZINC000820497029 606686216 /nfs/dbraw/zinc/68/62/16/606686216.db2.gz OQTPAKXDHWUZGH-LLVKDONJSA-N -1 3 358.348 3.382 20 0 FGADHM C[C@@H](OC(=O)CCc1ccc(-c2nn[n-]n2)cc1)c1cc(F)cc(F)c1 ZINC000820497029 606686217 /nfs/dbraw/zinc/68/62/17/606686217.db2.gz OQTPAKXDHWUZGH-LLVKDONJSA-N -1 3 358.348 3.382 20 0 FGADHM C[C@H](OC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1cc(F)cc(F)c1 ZINC000820503208 606686681 /nfs/dbraw/zinc/68/66/81/606686681.db2.gz YOOCUIXGTKHRJS-ZETCQYMHSA-N -1 3 366.274 3.341 20 0 FGADHM C[C@H](OC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1cc(F)cc(F)c1 ZINC000820503208 606686682 /nfs/dbraw/zinc/68/66/82/606686682.db2.gz YOOCUIXGTKHRJS-ZETCQYMHSA-N -1 3 366.274 3.341 20 0 FGADHM Cc1ccc([C@@H](C)NC(=O)CCc2ccc(-c3nnn[n-]3)cc2)cc1F ZINC000822228813 606692784 /nfs/dbraw/zinc/69/27/84/606692784.db2.gz GBXOEBVQKLVQDG-CYBMUJFWSA-N -1 3 353.401 3.124 20 0 FGADHM Cc1ccc([C@@H](C)NC(=O)CCc2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000822228813 606692785 /nfs/dbraw/zinc/69/27/85/606692785.db2.gz GBXOEBVQKLVQDG-CYBMUJFWSA-N -1 3 353.401 3.124 20 0 FGADHM Cc1nc(CNc2ccc(-c3nnn[n-]3)cn2)oc1-c1ccc(Cl)cc1 ZINC000822444438 606721960 /nfs/dbraw/zinc/72/19/60/606721960.db2.gz RBVGPPDOFXBMCA-UHFFFAOYSA-N -1 3 367.800 3.491 20 0 FGADHM Cc1nc(CNc2ccc(-c3nn[n-]n3)cn2)oc1-c1ccc(Cl)cc1 ZINC000822444438 606721962 /nfs/dbraw/zinc/72/19/62/606721962.db2.gz RBVGPPDOFXBMCA-UHFFFAOYSA-N -1 3 367.800 3.491 20 0 FGADHM CC[C@H](OC1CCCCC1)C(=O)OCc1cc(-c2nnn[n-]2)ccc1F ZINC000820938242 606736209 /nfs/dbraw/zinc/73/62/09/606736209.db2.gz HSEHGRXZRUKSEQ-INIZCTEOSA-N -1 3 362.405 3.177 20 0 FGADHM CC[C@H](OC1CCCCC1)C(=O)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000820938242 606736210 /nfs/dbraw/zinc/73/62/10/606736210.db2.gz HSEHGRXZRUKSEQ-INIZCTEOSA-N -1 3 362.405 3.177 20 0 FGADHM CCCCN1CCc2ccc(NC(=O)c3cc(-c4nnn[n-]4)cs3)cc21 ZINC000821065486 606746958 /nfs/dbraw/zinc/74/69/58/606746958.db2.gz JPAFMKQEQCEZDO-UHFFFAOYSA-N -1 3 368.466 3.343 20 0 FGADHM CCCCN1CCc2ccc(NC(=O)c3cc(-c4nn[n-]n4)cs3)cc21 ZINC000821065486 606746960 /nfs/dbraw/zinc/74/69/60/606746960.db2.gz JPAFMKQEQCEZDO-UHFFFAOYSA-N -1 3 368.466 3.343 20 0 FGADHM CC(C)(C)c1csc(COC(=O)CCc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000819966041 606749983 /nfs/dbraw/zinc/74/99/83/606749983.db2.gz UBISIMSBWXCRBS-UHFFFAOYSA-N -1 3 371.466 3.297 20 0 FGADHM CC(C)(C)c1csc(COC(=O)CCc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000819966041 606749985 /nfs/dbraw/zinc/74/99/85/606749985.db2.gz UBISIMSBWXCRBS-UHFFFAOYSA-N -1 3 371.466 3.297 20 0 FGADHM CC[C@@H](C)C(=O)COC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000820864128 606750864 /nfs/dbraw/zinc/75/08/64/606750864.db2.gz WVBWBNYUIIGWQG-CYBMUJFWSA-N -1 3 364.405 3.306 20 0 FGADHM CC[C@@H](C)C(=O)COC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000820864128 606750866 /nfs/dbraw/zinc/75/08/66/606750866.db2.gz WVBWBNYUIIGWQG-CYBMUJFWSA-N -1 3 364.405 3.306 20 0 FGADHM Cc1ccccc1-c1noc(COc2cc(Cl)ccc2-c2nnn[n-]2)n1 ZINC000822345978 606781021 /nfs/dbraw/zinc/78/10/21/606781021.db2.gz YNIZIYYGWTTZON-UHFFFAOYSA-N -1 3 368.784 3.458 20 0 FGADHM Cc1ccccc1-c1noc(COc2cc(Cl)ccc2-c2nn[n-]n2)n1 ZINC000822345978 606781022 /nfs/dbraw/zinc/78/10/22/606781022.db2.gz YNIZIYYGWTTZON-UHFFFAOYSA-N -1 3 368.784 3.458 20 0 FGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)Nc1ccccc1OCC(F)F ZINC000823363821 606783869 /nfs/dbraw/zinc/78/38/69/606783869.db2.gz OVZAJWZVXUZNSD-UHFFFAOYSA-N -1 3 360.324 3.155 20 0 FGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)Nc1ccccc1OCC(F)F ZINC000823363821 606783870 /nfs/dbraw/zinc/78/38/70/606783870.db2.gz OVZAJWZVXUZNSD-UHFFFAOYSA-N -1 3 360.324 3.155 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H]1COc2ccc(Cl)cc21 ZINC000822217581 606806182 /nfs/dbraw/zinc/80/61/82/606806182.db2.gz IFAPTHYOHYPMLY-CQSZACIVSA-N -1 3 370.800 3.084 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@H]1COc2ccc(Cl)cc21 ZINC000822217581 606806184 /nfs/dbraw/zinc/80/61/84/606806184.db2.gz IFAPTHYOHYPMLY-CQSZACIVSA-N -1 3 370.800 3.084 20 0 FGADHM O=C(c1cccc(-c2nnn[n-]2)c1)N1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000823487649 606814919 /nfs/dbraw/zinc/81/49/19/606814919.db2.gz FDYBWTZDTXNXME-MRXNPFEDSA-N -1 3 374.404 3.375 20 0 FGADHM O=C(c1cccc(-c2nn[n-]n2)c1)N1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000823487649 606814921 /nfs/dbraw/zinc/81/49/21/606814921.db2.gz FDYBWTZDTXNXME-MRXNPFEDSA-N -1 3 374.404 3.375 20 0 FGADHM Cc1cnc(CNc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)o1 ZINC000822395223 606864374 /nfs/dbraw/zinc/86/43/74/606864374.db2.gz WRUQPVVVDZCUHU-UHFFFAOYSA-N -1 3 362.393 3.354 20 0 FGADHM Cc1cnc(CNc2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)o1 ZINC000822395223 606864376 /nfs/dbraw/zinc/86/43/76/606864376.db2.gz WRUQPVVVDZCUHU-UHFFFAOYSA-N -1 3 362.393 3.354 20 0 FGADHM c1cc(OCCCSc2ccc3c(c2)OCCO3)cc(-c2nnn[n-]2)c1 ZINC000823762684 606866064 /nfs/dbraw/zinc/86/60/64/606866064.db2.gz SIDUAZLTDQTBCC-UHFFFAOYSA-N -1 3 370.434 3.199 20 0 FGADHM c1cc(OCCCSc2ccc3c(c2)OCCO3)cc(-c2nn[n-]n2)c1 ZINC000823762684 606866066 /nfs/dbraw/zinc/86/60/66/606866066.db2.gz SIDUAZLTDQTBCC-UHFFFAOYSA-N -1 3 370.434 3.199 20 0 FGADHM C[C@@H](NC(=O)C1(Cc2ccccc2)CCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820321491 606867296 /nfs/dbraw/zinc/86/72/96/606867296.db2.gz HHCNJHAGUISDGH-OAHLLOKOSA-N -1 3 361.449 3.457 20 0 FGADHM C[C@@H](NC(=O)C1(Cc2ccccc2)CCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820321491 606867298 /nfs/dbraw/zinc/86/72/98/606867298.db2.gz HHCNJHAGUISDGH-OAHLLOKOSA-N -1 3 361.449 3.457 20 0 FGADHM C[C@H](NC(=O)c1cncc(-c2ccccc2)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820402369 606867467 /nfs/dbraw/zinc/86/74/67/606867467.db2.gz DBUWJTHOBYYAKN-AWEZNQCLSA-N -1 3 370.416 3.420 20 0 FGADHM C[C@H](NC(=O)c1cncc(-c2ccccc2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820402369 606867469 /nfs/dbraw/zinc/86/74/69/606867469.db2.gz DBUWJTHOBYYAKN-AWEZNQCLSA-N -1 3 370.416 3.420 20 0 FGADHM C[C@@H]1CC[C@H](C(=O)Nc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)O1 ZINC000820676851 606871812 /nfs/dbraw/zinc/87/18/12/606871812.db2.gz ONDRKKPSKUNMCL-SJKOYZFVSA-N -1 3 365.393 3.165 20 0 FGADHM C[C@@H]1CC[C@H](C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)O1 ZINC000820676851 606871813 /nfs/dbraw/zinc/87/18/13/606871813.db2.gz ONDRKKPSKUNMCL-SJKOYZFVSA-N -1 3 365.393 3.165 20 0 FGADHM Cn1ccc(C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)cc2)c1 ZINC000822685428 606872995 /nfs/dbraw/zinc/87/29/95/606872995.db2.gz ZQCMSEAWIKDVRX-UHFFFAOYSA-N -1 3 360.377 3.250 20 0 FGADHM Cn1ccc(C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)cc2)c1 ZINC000822685428 606872996 /nfs/dbraw/zinc/87/29/96/606872996.db2.gz ZQCMSEAWIKDVRX-UHFFFAOYSA-N -1 3 360.377 3.250 20 0 FGADHM Cn1ccc(C(=O)Nc2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)c1 ZINC000822685350 606875789 /nfs/dbraw/zinc/87/57/89/606875789.db2.gz XRPOADZXTYVUIH-UHFFFAOYSA-N -1 3 360.377 3.250 20 0 FGADHM Cn1ccc(C(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)c1 ZINC000822685350 606875790 /nfs/dbraw/zinc/87/57/90/606875790.db2.gz XRPOADZXTYVUIH-UHFFFAOYSA-N -1 3 360.377 3.250 20 0 FGADHM O[C@@H](CNc1cccc(F)c1-c1nnn[n-]1)c1cc2ccccc2s1 ZINC000823690173 606878160 /nfs/dbraw/zinc/87/81/60/606878160.db2.gz LWUXPEQTLKZBNX-ZDUSSCGKSA-N -1 3 355.398 3.366 20 0 FGADHM O[C@@H](CNc1cccc(F)c1-c1nn[n-]n1)c1cc2ccccc2s1 ZINC000823690173 606878162 /nfs/dbraw/zinc/87/81/62/606878162.db2.gz LWUXPEQTLKZBNX-ZDUSSCGKSA-N -1 3 355.398 3.366 20 0 FGADHM CC(C)C[C@H]1CCCCN1C(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000820061412 606880373 /nfs/dbraw/zinc/88/03/73/606880373.db2.gz ADTHSNMRQNNORT-GOEBONIOSA-N -1 3 357.458 3.061 20 0 FGADHM CC(C)C1CCC(NC(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000820358237 606931350 /nfs/dbraw/zinc/93/13/50/606931350.db2.gz LQLJKFDPPBNYAU-TUBUQKNSSA-N -1 3 356.474 3.442 20 0 FGADHM CC(C)C1CCC(NC(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000820358237 606931352 /nfs/dbraw/zinc/93/13/52/606931352.db2.gz LQLJKFDPPBNYAU-TUBUQKNSSA-N -1 3 356.474 3.442 20 0 FGADHM CCc1nnc(N2CC[C@@H](c3ccccc3)[C@@H]2C)c(-c2nnn[n-]2)c1CC ZINC000821523472 606942570 /nfs/dbraw/zinc/94/25/70/606942570.db2.gz WTWWULOLEXOXQE-XJKSGUPXSA-N -1 3 363.469 3.164 20 0 FGADHM CCc1nnc(N2CC[C@@H](c3ccccc3)[C@@H]2C)c(-c2nn[n-]n2)c1CC ZINC000821523472 606942571 /nfs/dbraw/zinc/94/25/71/606942571.db2.gz WTWWULOLEXOXQE-XJKSGUPXSA-N -1 3 363.469 3.164 20 0 FGADHM O=C(OCCCOc1cccc(-c2nnn[n-]2)c1)c1ccccc1Cl ZINC000823405506 606942682 /nfs/dbraw/zinc/94/26/82/606942682.db2.gz RXWHLVNESMXNMK-UHFFFAOYSA-N -1 3 358.785 3.146 20 0 FGADHM O=C(OCCCOc1cccc(-c2nn[n-]n2)c1)c1ccccc1Cl ZINC000823405506 606942684 /nfs/dbraw/zinc/94/26/84/606942684.db2.gz RXWHLVNESMXNMK-UHFFFAOYSA-N -1 3 358.785 3.146 20 0 FGADHM O=C(OCCCOc1cccc(-c2nnn[n-]2)c1)c1cc2occc2s1 ZINC000823401417 606950758 /nfs/dbraw/zinc/95/07/58/606950758.db2.gz VQOBFSFBDHNXNO-UHFFFAOYSA-N -1 3 370.390 3.300 20 0 FGADHM O=C(OCCCOc1cccc(-c2nn[n-]n2)c1)c1cc2occc2s1 ZINC000823401417 606950759 /nfs/dbraw/zinc/95/07/59/606950759.db2.gz VQOBFSFBDHNXNO-UHFFFAOYSA-N -1 3 370.390 3.300 20 0 FGADHM CCc1c(C)sc(NC(=O)c2ccc(F)c(OC)c2)c1-c1nnn[n-]1 ZINC000821465112 606957374 /nfs/dbraw/zinc/95/73/74/606957374.db2.gz BMBTUZZYGXXDDD-UHFFFAOYSA-N -1 3 361.402 3.199 20 0 FGADHM CCc1c(C)sc(NC(=O)c2ccc(F)c(OC)c2)c1-c1nn[n-]n1 ZINC000821465112 606957376 /nfs/dbraw/zinc/95/73/76/606957376.db2.gz BMBTUZZYGXXDDD-UHFFFAOYSA-N -1 3 361.402 3.199 20 0 FGADHM Cc1ccc2c(CC(=O)N(C)c3ccccc3-c3nnn[n-]3)coc2c1C ZINC000822275566 606974233 /nfs/dbraw/zinc/97/42/33/606974233.db2.gz VPTRQZTYAYQZAE-UHFFFAOYSA-N -1 3 361.405 3.435 20 0 FGADHM Cc1ccc2c(CC(=O)N(C)c3ccccc3-c3nn[n-]n3)coc2c1C ZINC000822275566 606974235 /nfs/dbraw/zinc/97/42/35/606974235.db2.gz VPTRQZTYAYQZAE-UHFFFAOYSA-N -1 3 361.405 3.435 20 0 FGADHM CCC1(CC)[C@H](OC)C[C@H]1N(C)C(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000820957052 606978663 /nfs/dbraw/zinc/97/86/63/606978663.db2.gz MPYYZZAMEAJNGT-HUUCEWRRSA-N -1 3 374.514 3.089 20 0 FGADHM CCC1(CC)[C@H](OC)C[C@H]1N(C)C(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000820957052 606978665 /nfs/dbraw/zinc/97/86/65/606978665.db2.gz MPYYZZAMEAJNGT-HUUCEWRRSA-N -1 3 374.514 3.089 20 0 FGADHM Cc1ccccc1[C@@H](C)SCC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000822345741 606989631 /nfs/dbraw/zinc/98/96/31/606989631.db2.gz QHRFULTZYJBSBR-CQSZACIVSA-N -1 3 367.478 3.286 20 0 FGADHM Cc1ccccc1[C@@H](C)SCC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000822345741 606989633 /nfs/dbraw/zinc/98/96/33/606989633.db2.gz QHRFULTZYJBSBR-CQSZACIVSA-N -1 3 367.478 3.286 20 0 FGADHM O=C(Cc1ccc2ccccc2c1)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000823088478 606992637 /nfs/dbraw/zinc/99/26/37/606992637.db2.gz YPQRGBKBEAJLKV-UHFFFAOYSA-N -1 3 362.364 3.445 20 0 FGADHM O=C(Cc1ccc2ccccc2c1)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000823088478 606992638 /nfs/dbraw/zinc/99/26/38/606992638.db2.gz YPQRGBKBEAJLKV-UHFFFAOYSA-N -1 3 362.364 3.445 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)[C@@H]1CCCc2ccccc21 ZINC000823421598 606994282 /nfs/dbraw/zinc/99/42/82/606994282.db2.gz DLRLZHDIYAMRKM-OAHLLOKOSA-N -1 3 352.369 3.169 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)[C@@H]1CCCc2ccccc21 ZINC000823421598 606994283 /nfs/dbraw/zinc/99/42/83/606994283.db2.gz DLRLZHDIYAMRKM-OAHLLOKOSA-N -1 3 352.369 3.169 20 0 FGADHM CC(C)Cc1nc(C(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)cs1 ZINC000820108728 606996698 /nfs/dbraw/zinc/99/66/98/606996698.db2.gz PXKPJFVRESIQDU-UHFFFAOYSA-N -1 3 361.402 3.018 20 0 FGADHM CC(C)Cc1nc(C(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)cs1 ZINC000820108728 606996700 /nfs/dbraw/zinc/99/67/00/606996700.db2.gz PXKPJFVRESIQDU-UHFFFAOYSA-N -1 3 361.402 3.018 20 0 FGADHM C[C@H](CC(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1F ZINC000820225120 606997958 /nfs/dbraw/zinc/99/79/58/606997958.db2.gz BJVUIEDHOIPKSB-LLVKDONJSA-N -1 3 358.348 3.382 20 0 FGADHM C[C@H](CC(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1F ZINC000820225120 606997959 /nfs/dbraw/zinc/99/79/59/606997959.db2.gz BJVUIEDHOIPKSB-LLVKDONJSA-N -1 3 358.348 3.382 20 0 FGADHM COc1cccc(C(C)=CC(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000821859235 607003920 /nfs/dbraw/zinc/00/39/20/607003920.db2.gz MVRPQYUKSHNKGX-WQLSENKSSA-N -1 3 368.368 3.161 20 0 FGADHM COc1cccc(C(C)=CC(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000821859235 607003922 /nfs/dbraw/zinc/00/39/22/607003922.db2.gz MVRPQYUKSHNKGX-WQLSENKSSA-N -1 3 368.368 3.161 20 0 FGADHM CCn1c(SCc2ccc(-c3nnn[n-]3)cc2)nnc1-c1cccs1 ZINC000821565237 607003969 /nfs/dbraw/zinc/00/39/69/607003969.db2.gz KGWORZMHBYHHEL-UHFFFAOYSA-N -1 3 369.479 3.499 20 0 FGADHM CCn1c(SCc2ccc(-c3nn[n-]n3)cc2)nnc1-c1cccs1 ZINC000821565237 607003971 /nfs/dbraw/zinc/00/39/71/607003971.db2.gz KGWORZMHBYHHEL-UHFFFAOYSA-N -1 3 369.479 3.499 20 0 FGADHM Fc1ccc(CSc2nc3cc(F)c(F)cc3[nH]2)cc1-c1nnn[n-]1 ZINC000822753597 607008576 /nfs/dbraw/zinc/00/85/76/607008576.db2.gz OXLVNOSELRFHDJ-UHFFFAOYSA-N -1 3 362.340 3.453 20 0 FGADHM Fc1ccc(CSc2nc3cc(F)c(F)cc3[nH]2)cc1-c1nn[n-]n1 ZINC000822753597 607008579 /nfs/dbraw/zinc/00/85/79/607008579.db2.gz OXLVNOSELRFHDJ-UHFFFAOYSA-N -1 3 362.340 3.453 20 0 FGADHM CC(C)[C@@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)N1CCCC[C@@H]1C ZINC000820032759 607016197 /nfs/dbraw/zinc/01/61/97/607016197.db2.gz QDLLEQXHWLTTRU-XJKSGUPXSA-N -1 3 359.499 3.384 20 0 FGADHM CC(C)[C@@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)N1CCCC[C@@H]1C ZINC000820032759 607016198 /nfs/dbraw/zinc/01/61/98/607016198.db2.gz QDLLEQXHWLTTRU-XJKSGUPXSA-N -1 3 359.499 3.384 20 0 FGADHM O=C(CSc1cccc(-c2nnn[n-]2)c1)N[C@@H]1CCCc2ccccc21 ZINC000823070815 607017499 /nfs/dbraw/zinc/01/74/99/607017499.db2.gz PJWDLSIKKPIQTL-QGZVFWFLSA-N -1 3 365.462 3.153 20 0 FGADHM O=C(CSc1cccc(-c2nn[n-]n2)c1)N[C@@H]1CCCc2ccccc21 ZINC000823070815 607017502 /nfs/dbraw/zinc/01/75/02/607017502.db2.gz PJWDLSIKKPIQTL-QGZVFWFLSA-N -1 3 365.462 3.153 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1OCC(=O)Nc1cccc(C(C)C)c1 ZINC000822221421 607031612 /nfs/dbraw/zinc/03/16/12/607031612.db2.gz OMWSYAGMWXZVRD-UHFFFAOYSA-N -1 3 351.410 3.316 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1OCC(=O)Nc1cccc(C(C)C)c1 ZINC000822221421 607031613 /nfs/dbraw/zinc/03/16/13/607031613.db2.gz OMWSYAGMWXZVRD-UHFFFAOYSA-N -1 3 351.410 3.316 20 0 FGADHM COC(=O)c1ccc(CSCc2cc(F)ccc2-c2nnn[n-]2)s1 ZINC000821669677 607035160 /nfs/dbraw/zinc/03/51/60/607035160.db2.gz XKTPHEBHIYWPFF-UHFFFAOYSA-N -1 3 364.427 3.287 20 0 FGADHM COC(=O)c1ccc(CSCc2cc(F)ccc2-c2nn[n-]n2)s1 ZINC000821669677 607035161 /nfs/dbraw/zinc/03/51/61/607035161.db2.gz XKTPHEBHIYWPFF-UHFFFAOYSA-N -1 3 364.427 3.287 20 0 FGADHM Cc1nn(C)c(Cl)c1CSCc1cc(F)ccc1-c1nnn[n-]1 ZINC000822496606 607035334 /nfs/dbraw/zinc/03/53/34/607035334.db2.gz RSWZYZRNNJJHLA-UHFFFAOYSA-N -1 3 352.826 3.135 20 0 FGADHM Cc1nn(C)c(Cl)c1CSCc1cc(F)ccc1-c1nn[n-]n1 ZINC000822496606 607035336 /nfs/dbraw/zinc/03/53/36/607035336.db2.gz RSWZYZRNNJJHLA-UHFFFAOYSA-N -1 3 352.826 3.135 20 0 FGADHM Fc1ccc(-c2nnn[n-]2)c(CSc2nnc(Cc3cccs3)o2)c1 ZINC000822758581 607040635 /nfs/dbraw/zinc/04/06/35/607040635.db2.gz SKFHHYAPBFCFHP-UHFFFAOYSA-N -1 3 374.426 3.333 20 0 FGADHM Fc1ccc(-c2nn[n-]n2)c(CSc2nnc(Cc3cccs3)o2)c1 ZINC000822758581 607040637 /nfs/dbraw/zinc/04/06/37/607040637.db2.gz SKFHHYAPBFCFHP-UHFFFAOYSA-N -1 3 374.426 3.333 20 0 FGADHM Cc1cccc(C)c1CNC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000822294153 607049821 /nfs/dbraw/zinc/04/98/21/607049821.db2.gz SOSCADQKGLHWQP-CQSZACIVSA-N -1 3 350.426 3.044 20 0 FGADHM Cc1cccc(C)c1CNC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000822294153 607049823 /nfs/dbraw/zinc/04/98/23/607049823.db2.gz SOSCADQKGLHWQP-CQSZACIVSA-N -1 3 350.426 3.044 20 0 FGADHM CC(C)C[C@@H]1CCCN(C(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820068152 607053316 /nfs/dbraw/zinc/05/33/16/607053316.db2.gz OKLUCTWQZSDDCW-CABCVRRESA-N -1 3 356.474 3.395 20 0 FGADHM CC(C)C[C@@H]1CCCN(C(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820068152 607053317 /nfs/dbraw/zinc/05/33/17/607053317.db2.gz OKLUCTWQZSDDCW-CABCVRRESA-N -1 3 356.474 3.395 20 0 FGADHM CC1(C)C[C@@H](NC(=O)c2cccc(-c3nnn[n-]3)c2)c2ccc(F)cc2O1 ZINC000820589093 607054497 /nfs/dbraw/zinc/05/44/97/607054497.db2.gz ACDVKNLKJMQHCB-OAHLLOKOSA-N -1 3 367.384 3.038 20 0 FGADHM CC1(C)C[C@@H](NC(=O)c2cccc(-c3nn[n-]n3)c2)c2ccc(F)cc2O1 ZINC000820589093 607054498 /nfs/dbraw/zinc/05/44/98/607054498.db2.gz ACDVKNLKJMQHCB-OAHLLOKOSA-N -1 3 367.384 3.038 20 0 FGADHM Fc1cc(-c2nnn[n-]2)ccc1CN[C@H]1CCOc2c(Cl)cccc21 ZINC000822740758 607058381 /nfs/dbraw/zinc/05/83/81/607058381.db2.gz NWLCUNHRHUZUQC-HNNXBMFYSA-N -1 3 359.792 3.273 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1CN[C@H]1CCOc2c(Cl)cccc21 ZINC000822740758 607058383 /nfs/dbraw/zinc/05/83/83/607058383.db2.gz NWLCUNHRHUZUQC-HNNXBMFYSA-N -1 3 359.792 3.273 20 0 FGADHM CC(C)Oc1cccc(CC(=O)OCc2cc(F)ccc2-c2nnn[n-]2)c1 ZINC000820178683 607080371 /nfs/dbraw/zinc/08/03/71/607080371.db2.gz XKLKCXKFZPLZIU-UHFFFAOYSA-N -1 3 370.384 3.079 20 0 FGADHM CC(C)Oc1cccc(CC(=O)OCc2cc(F)ccc2-c2nn[n-]n2)c1 ZINC000820178683 607080373 /nfs/dbraw/zinc/08/03/73/607080373.db2.gz XKLKCXKFZPLZIU-UHFFFAOYSA-N -1 3 370.384 3.079 20 0 FGADHM Cc1cc(OC(=O)Cc2ccc(-c3nnn[n-]3)cc2)ccc1Br ZINC000822210734 607093721 /nfs/dbraw/zinc/09/37/21/607093721.db2.gz OZVHVOYFIHDRPB-UHFFFAOYSA-N -1 3 373.210 3.086 20 0 FGADHM Cc1cc(OC(=O)Cc2ccc(-c3nn[n-]n3)cc2)ccc1Br ZINC000822210734 607093722 /nfs/dbraw/zinc/09/37/22/607093722.db2.gz OZVHVOYFIHDRPB-UHFFFAOYSA-N -1 3 373.210 3.086 20 0 FGADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc2ccc(C)cc2[nH]1 ZINC000821304925 607099972 /nfs/dbraw/zinc/09/99/72/607099972.db2.gz UHYXACDHPOLGAU-UHFFFAOYSA-N -1 3 361.409 3.341 20 0 FGADHM C[C@H](NCc1nnc(-c2ccccc2)s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820438643 607112675 /nfs/dbraw/zinc/11/26/75/607112675.db2.gz UAGZXTWCSCZNPP-LBPRGKRZSA-N -1 3 363.450 3.236 20 0 FGADHM CC(C)c1nn(-c2ccccc2)cc1CNc1ccc(-c2nnn[n-]2)nc1 ZINC000820206530 607117390 /nfs/dbraw/zinc/11/73/90/607117390.db2.gz OTGVJCFBAGBCSK-UHFFFAOYSA-N -1 3 360.425 3.183 20 0 FGADHM CC(C)c1nn(-c2ccccc2)cc1CNc1ccc(-c2nn[n-]n2)nc1 ZINC000820206530 607117392 /nfs/dbraw/zinc/11/73/92/607117392.db2.gz OTGVJCFBAGBCSK-UHFFFAOYSA-N -1 3 360.425 3.183 20 0 FGADHM Fc1cc(-c2nnn[n-]2)cc(F)c1N1CCC2(CC1)OCc1ccccc12 ZINC000822737226 607120280 /nfs/dbraw/zinc/12/02/80/607120280.db2.gz REHDBBYYUHDJOB-UHFFFAOYSA-N -1 3 369.375 3.171 20 0 FGADHM Fc1cc(-c2nn[n-]n2)cc(F)c1N1CCC2(CC1)OCc1ccccc12 ZINC000822737226 607120282 /nfs/dbraw/zinc/12/02/82/607120282.db2.gz REHDBBYYUHDJOB-UHFFFAOYSA-N -1 3 369.375 3.171 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1OCc1nc(-c2ccc(F)c(F)c2)no1 ZINC000822137177 607132382 /nfs/dbraw/zinc/13/23/82/607132382.db2.gz UYRLDPLRZYPMEY-UHFFFAOYSA-N -1 3 370.319 3.082 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1OCc1nc(-c2ccc(F)c(F)c2)no1 ZINC000822221458 607133272 /nfs/dbraw/zinc/13/32/72/607133272.db2.gz PKPPQOGDDZNBRD-UHFFFAOYSA-N -1 3 370.319 3.082 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1OCc1nc(-c2ccc(F)c(F)c2)no1 ZINC000822221458 607133274 /nfs/dbraw/zinc/13/32/74/607133274.db2.gz PKPPQOGDDZNBRD-UHFFFAOYSA-N -1 3 370.319 3.082 20 0 FGADHM C[C@H](Oc1ccc(-c2nnn[n-]2)cc1F)c1nc(-c2ccccc2)no1 ZINC000820533576 607138827 /nfs/dbraw/zinc/13/88/27/607138827.db2.gz GCSCICQPOANMBA-JTQLQIEISA-N -1 3 352.329 3.196 20 0 FGADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1F)c1nc(-c2ccccc2)no1 ZINC000820533576 607138828 /nfs/dbraw/zinc/13/88/28/607138828.db2.gz GCSCICQPOANMBA-JTQLQIEISA-N -1 3 352.329 3.196 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)c1ccc(C(=O)CC)cc1 ZINC000821389380 607150385 /nfs/dbraw/zinc/15/03/85/607150385.db2.gz KZKSFQMSEAIJEN-UHFFFAOYSA-N -1 3 366.377 3.077 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)c1ccc(C(=O)CC)cc1 ZINC000821389380 607150387 /nfs/dbraw/zinc/15/03/87/607150387.db2.gz KZKSFQMSEAIJEN-UHFFFAOYSA-N -1 3 366.377 3.077 20 0 FGADHM Fc1cc(Cl)ccc1NCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000822748388 607164802 /nfs/dbraw/zinc/16/48/02/607164802.db2.gz WTPJUMKVLCUWDL-UHFFFAOYSA-N -1 3 371.763 3.321 20 0 FGADHM Fc1cc(Cl)ccc1NCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000822748388 607164803 /nfs/dbraw/zinc/16/48/03/607164803.db2.gz WTPJUMKVLCUWDL-UHFFFAOYSA-N -1 3 371.763 3.321 20 0 FGADHM CCCCC[C@H]1CCCN1C(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000821050743 607165044 /nfs/dbraw/zinc/16/50/44/607165044.db2.gz TZVHUEFXBHEBDE-GJZGRUSLSA-N -1 3 357.458 3.205 20 0 FGADHM CCCCC[C@H]1CCCN1C(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000821050743 607165046 /nfs/dbraw/zinc/16/50/46/607165046.db2.gz TZVHUEFXBHEBDE-GJZGRUSLSA-N -1 3 357.458 3.205 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1ccc2ncccc2c1 ZINC000823318756 607191193 /nfs/dbraw/zinc/19/11/93/607191193.db2.gz JKLUATRCNJLEGT-UHFFFAOYSA-N -1 3 350.769 3.321 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1ccc2ncccc2c1 ZINC000823318756 607191194 /nfs/dbraw/zinc/19/11/94/607191194.db2.gz JKLUATRCNJLEGT-UHFFFAOYSA-N -1 3 350.769 3.321 20 0 FGADHM Cc1csc([C@@H](C)NC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)n1 ZINC000822410175 607202770 /nfs/dbraw/zinc/20/27/70/607202770.db2.gz YMGOECWUKYRJOM-MRVPVSSYSA-N -1 3 363.834 3.168 20 0 FGADHM Cc1csc([C@@H](C)NC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000822410175 607202771 /nfs/dbraw/zinc/20/27/71/607202771.db2.gz YMGOECWUKYRJOM-MRVPVSSYSA-N -1 3 363.834 3.168 20 0 FGADHM CCc1c(C)sc(NC(=O)c2cccc(C(C)=O)c2)c1-c1nnn[n-]1 ZINC000821465817 607238046 /nfs/dbraw/zinc/23/80/46/607238046.db2.gz QJRPUBRQNCEOFH-UHFFFAOYSA-N -1 3 355.423 3.254 20 0 FGADHM CCc1c(C)sc(NC(=O)c2cccc(C(C)=O)c2)c1-c1nn[n-]n1 ZINC000821465817 607238047 /nfs/dbraw/zinc/23/80/47/607238047.db2.gz QJRPUBRQNCEOFH-UHFFFAOYSA-N -1 3 355.423 3.254 20 0 FGADHM CCOc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)ccc1C ZINC000821393798 607241501 /nfs/dbraw/zinc/24/15/01/607241501.db2.gz BEDNHLAANZZHLJ-UHFFFAOYSA-N -1 3 357.801 3.480 20 0 FGADHM CCOc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)ccc1C ZINC000821393798 607241502 /nfs/dbraw/zinc/24/15/02/607241502.db2.gz BEDNHLAANZZHLJ-UHFFFAOYSA-N -1 3 357.801 3.480 20 0 FGADHM COc1ccccc1C(C)(C)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821883356 607241550 /nfs/dbraw/zinc/24/15/50/607241550.db2.gz UFGXQUJUZVWMTF-UHFFFAOYSA-N -1 3 371.828 3.445 20 0 FGADHM COc1ccccc1C(C)(C)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821883356 607241551 /nfs/dbraw/zinc/24/15/51/607241551.db2.gz UFGXQUJUZVWMTF-UHFFFAOYSA-N -1 3 371.828 3.445 20 0 FGADHM O=C(CSc1ccc(F)cc1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823066177 607243096 /nfs/dbraw/zinc/24/30/96/607243096.db2.gz OBMCSJBNUOHKEB-UHFFFAOYSA-N -1 3 363.805 3.390 20 0 FGADHM O=C(CSc1ccc(F)cc1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823066177 607243097 /nfs/dbraw/zinc/24/30/97/607243097.db2.gz OBMCSJBNUOHKEB-UHFFFAOYSA-N -1 3 363.805 3.390 20 0 FGADHM Cc1nc(Cl)sc1C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000822449615 607243923 /nfs/dbraw/zinc/24/39/23/607243923.db2.gz GWFJNIBEPVMXJH-UHFFFAOYSA-N -1 3 355.210 3.191 20 0 FGADHM Cc1nc(Cl)sc1C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822449615 607243924 /nfs/dbraw/zinc/24/39/24/607243924.db2.gz GWFJNIBEPVMXJH-UHFFFAOYSA-N -1 3 355.210 3.191 20 0 FGADHM Cc1cccc(CSCC(=O)Oc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000822303848 607247115 /nfs/dbraw/zinc/24/71/15/607247115.db2.gz MACZZKKWFRACPV-UHFFFAOYSA-N -1 3 358.398 3.153 20 0 FGADHM Cc1cccc(CSCC(=O)Oc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000822303848 607247116 /nfs/dbraw/zinc/24/71/16/607247116.db2.gz MACZZKKWFRACPV-UHFFFAOYSA-N -1 3 358.398 3.153 20 0 FGADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)c1cccc(C(F)(F)F)c1 ZINC000823449916 607248196 /nfs/dbraw/zinc/24/81/96/607248196.db2.gz DXSDWZBYKRGTRP-UHFFFAOYSA-N -1 3 352.247 3.244 20 0 FGADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)c1cccc(C(F)(F)F)c1 ZINC000823449916 607248197 /nfs/dbraw/zinc/24/81/97/607248197.db2.gz DXSDWZBYKRGTRP-UHFFFAOYSA-N -1 3 352.247 3.244 20 0 FGADHM Cc1sc(-c2ccco2)nc1C(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000822553494 607249765 /nfs/dbraw/zinc/24/97/65/607249765.db2.gz LLYALGULCJRSDN-UHFFFAOYSA-N -1 3 371.353 3.250 20 0 FGADHM Cc1sc(-c2ccco2)nc1C(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000822553494 607249766 /nfs/dbraw/zinc/24/97/66/607249766.db2.gz LLYALGULCJRSDN-UHFFFAOYSA-N -1 3 371.353 3.250 20 0 FGADHM CC1(C)CCc2ccccc2[C@@H]1NC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000824807718 607774439 /nfs/dbraw/zinc/77/44/39/607774439.db2.gz MHKPCCJVTPVAJA-IBGZPJMESA-N -1 3 361.449 3.239 20 0 FGADHM CC1(C)CCc2ccccc2[C@@H]1NC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000824807718 607774440 /nfs/dbraw/zinc/77/44/40/607774440.db2.gz MHKPCCJVTPVAJA-IBGZPJMESA-N -1 3 361.449 3.239 20 0 FGADHM CN(C(=O)c1cc2c(s1)CCCCC2)c1ccccc1-c1nnn[n-]1 ZINC000825825798 607786578 /nfs/dbraw/zinc/78/65/78/607786578.db2.gz JGWAFRRAGLRXMP-UHFFFAOYSA-N -1 3 353.451 3.474 20 0 FGADHM CN(C(=O)c1cc2c(s1)CCCCC2)c1ccccc1-c1nn[n-]n1 ZINC000825825798 607786579 /nfs/dbraw/zinc/78/65/79/607786579.db2.gz JGWAFRRAGLRXMP-UHFFFAOYSA-N -1 3 353.451 3.474 20 0 FGADHM CCN(C(=O)[C@H](C)CCOc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825363156 607796330 /nfs/dbraw/zinc/79/63/30/607796330.db2.gz VDNBSCISZDDXER-OAHLLOKOSA-N -1 3 365.437 3.325 20 0 FGADHM CCN(C(=O)[C@H](C)CCOc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825363156 607796331 /nfs/dbraw/zinc/79/63/31/607796331.db2.gz VDNBSCISZDDXER-OAHLLOKOSA-N -1 3 365.437 3.325 20 0 FGADHM CCN(C(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367376 607797135 /nfs/dbraw/zinc/79/71/35/607797135.db2.gz OKJKIZCUVGXTQR-HUUCEWRRSA-N -1 3 369.375 3.302 20 0 FGADHM CCN(C(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367376 607797136 /nfs/dbraw/zinc/79/71/36/607797136.db2.gz OKJKIZCUVGXTQR-HUUCEWRRSA-N -1 3 369.375 3.302 20 0 FGADHM CCN(C(=O)Cc1ccc(C)cc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000825376769 607798318 /nfs/dbraw/zinc/79/83/18/607798318.db2.gz NIWVGZRRKUNCNR-UHFFFAOYSA-N -1 3 355.829 3.424 20 0 FGADHM CCN(C(=O)Cc1ccc(C)cc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000825376769 607798319 /nfs/dbraw/zinc/79/83/19/607798319.db2.gz NIWVGZRRKUNCNR-UHFFFAOYSA-N -1 3 355.829 3.424 20 0 FGADHM CC(C)(C)SCCCC(=O)OCc1cn2ccccc2c1-c1nnn[n-]1 ZINC000824124739 607826208 /nfs/dbraw/zinc/82/62/08/607826208.db2.gz YFETWIRZAKDDLM-UHFFFAOYSA-N -1 3 373.482 3.475 20 0 FGADHM CC(C)(C)SCCCC(=O)OCc1cn2ccccc2c1-c1nn[n-]n1 ZINC000824124739 607826209 /nfs/dbraw/zinc/82/62/09/607826209.db2.gz YFETWIRZAKDDLM-UHFFFAOYSA-N -1 3 373.482 3.475 20 0 FGADHM Cc1ccc(CNC(=O)c2c(Cl)cc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000826288072 607833419 /nfs/dbraw/zinc/83/34/19/607833419.db2.gz PQSGGSJJRJGGBH-UHFFFAOYSA-N -1 3 362.220 3.412 20 0 FGADHM Cc1ccc(CNC(=O)c2c(Cl)cc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000826288072 607833420 /nfs/dbraw/zinc/83/34/20/607833420.db2.gz PQSGGSJJRJGGBH-UHFFFAOYSA-N -1 3 362.220 3.412 20 0 FGADHM O=[S@](CCSc1ccc(-c2nnn[n-]2)cc1Cl)c1ccccc1 ZINC000826496435 607844973 /nfs/dbraw/zinc/84/49/73/607844973.db2.gz WMDRVARJDOGIHT-HSZRJFAPSA-N -1 3 364.883 3.420 20 0 FGADHM O=[S@](CCSc1ccc(-c2nn[n-]n2)cc1Cl)c1ccccc1 ZINC000826496435 607844974 /nfs/dbraw/zinc/84/49/74/607844974.db2.gz WMDRVARJDOGIHT-HSZRJFAPSA-N -1 3 364.883 3.420 20 0 FGADHM CCCN(CCC)C(=O)CSc1ccc(-c2nnn[n-]2)cc1Cl ZINC000825313442 607845788 /nfs/dbraw/zinc/84/57/88/607845788.db2.gz FVTXEJOXQXMFOC-UHFFFAOYSA-N -1 3 353.879 3.261 20 0 FGADHM CCCN(CCC)C(=O)CSc1ccc(-c2nn[n-]n2)cc1Cl ZINC000825313442 607845789 /nfs/dbraw/zinc/84/57/89/607845789.db2.gz FVTXEJOXQXMFOC-UHFFFAOYSA-N -1 3 353.879 3.261 20 0 FGADHM Cc1cnc(CCN(C)c2ccc(-c3nn[n-]n3)cc2C(F)(F)F)s1 ZINC000826318754 607850872 /nfs/dbraw/zinc/85/08/72/607850872.db2.gz XNSFEDYLSYLLJT-UHFFFAOYSA-N -1 3 368.388 3.329 20 0 FGADHM O[C@@H](COc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1C(F)(F)F ZINC000826505411 607875565 /nfs/dbraw/zinc/87/55/65/607875565.db2.gz VCEFZSGRPDOJJT-ZDUSSCGKSA-N -1 3 368.290 3.137 20 0 FGADHM O[C@@H](COc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1C(F)(F)F ZINC000826505411 607875566 /nfs/dbraw/zinc/87/55/66/607875566.db2.gz VCEFZSGRPDOJJT-ZDUSSCGKSA-N -1 3 368.290 3.137 20 0 FGADHM CC(C)[C@@H](C(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC000824185350 607881186 /nfs/dbraw/zinc/88/11/86/607881186.db2.gz WXBQSHVFGAQTSH-GOSISDBHSA-N -1 3 367.428 3.404 20 0 FGADHM CC(C)[C@@H](C(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC000824185350 607881187 /nfs/dbraw/zinc/88/11/87/607881187.db2.gz WXBQSHVFGAQTSH-GOSISDBHSA-N -1 3 367.428 3.404 20 0 FGADHM CC(C)[C@H](C(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC000824185351 607881213 /nfs/dbraw/zinc/88/12/13/607881213.db2.gz WXBQSHVFGAQTSH-SFHVURJKSA-N -1 3 367.428 3.404 20 0 FGADHM CC(C)[C@H](C(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC000824185351 607881214 /nfs/dbraw/zinc/88/12/14/607881214.db2.gz WXBQSHVFGAQTSH-SFHVURJKSA-N -1 3 367.428 3.404 20 0 FGADHM CC(C)Oc1cccc(CN(C)c2ncc(-c3nnn[n-]3)cc2Cl)c1 ZINC000824332926 607903746 /nfs/dbraw/zinc/90/37/46/607903746.db2.gz ATTBZQLHLSCBED-UHFFFAOYSA-N -1 3 358.833 3.339 20 0 FGADHM CC(C)Oc1cccc(CN(C)c2ncc(-c3nn[n-]n3)cc2Cl)c1 ZINC000824332926 607903747 /nfs/dbraw/zinc/90/37/47/607903747.db2.gz ATTBZQLHLSCBED-UHFFFAOYSA-N -1 3 358.833 3.339 20 0 FGADHM O=C(COC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826415502 607918510 /nfs/dbraw/zinc/91/85/10/607918510.db2.gz IIFVXAFMJUBBLE-RRQGHBQHSA-N -1 3 368.437 3.199 20 0 FGADHM O=C(COC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826415502 607918511 /nfs/dbraw/zinc/91/85/11/607918511.db2.gz IIFVXAFMJUBBLE-RRQGHBQHSA-N -1 3 368.437 3.199 20 0 FGADHM C[C@@H](NC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C1CCC1 ZINC000824505687 607918664 /nfs/dbraw/zinc/91/86/64/607918664.db2.gz HFOQHAMJJRYKEC-MRVPVSSYSA-N -1 3 354.336 3.196 20 0 FGADHM C[C@@H](NC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C1CCC1 ZINC000824505687 607918665 /nfs/dbraw/zinc/91/86/65/607918665.db2.gz HFOQHAMJJRYKEC-MRVPVSSYSA-N -1 3 354.336 3.196 20 0 FGADHM COCC(C)(C)C(=O)OCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000826149020 607919275 /nfs/dbraw/zinc/91/92/75/607919275.db2.gz XLXIQVSOWJRSHN-UHFFFAOYSA-N -1 3 366.421 3.250 20 0 FGADHM COCC(C)(C)C(=O)OCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000826149020 607919276 /nfs/dbraw/zinc/91/92/76/607919276.db2.gz XLXIQVSOWJRSHN-UHFFFAOYSA-N -1 3 366.421 3.250 20 0 FGADHM C[C@@H](Cc1cccc(Cl)c1)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000824457277 607926926 /nfs/dbraw/zinc/92/69/26/607926926.db2.gz IUAHXOFGTOOTHF-JTQLQIEISA-N -1 3 359.792 3.477 20 0 FGADHM C[C@@H](Cc1cccc(Cl)c1)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000824457277 607926927 /nfs/dbraw/zinc/92/69/27/607926927.db2.gz IUAHXOFGTOOTHF-JTQLQIEISA-N -1 3 359.792 3.477 20 0 FGADHM O=C(C=Cc1ccc2ccccc2n1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826401244 607952997 /nfs/dbraw/zinc/95/29/97/607952997.db2.gz SZZVNPYZNDLVBB-KTKRTIGZSA-N -1 3 368.400 3.017 20 0 FGADHM O=C(C=Cc1ccc2ccccc2n1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826401244 607952998 /nfs/dbraw/zinc/95/29/98/607952998.db2.gz SZZVNPYZNDLVBB-KTKRTIGZSA-N -1 3 368.400 3.017 20 0 FGADHM O=C(Nc1sccc1-c1nnn[n-]1)c1ccn(-c2ccc(Cl)cc2)n1 ZINC000826461403 607963173 /nfs/dbraw/zinc/96/31/73/607963173.db2.gz SUKJQWKIZOPVGL-UHFFFAOYSA-N -1 3 371.813 3.020 20 0 FGADHM O=C(Nc1sccc1-c1nn[n-]n1)c1ccn(-c2ccc(Cl)cc2)n1 ZINC000826461403 607963174 /nfs/dbraw/zinc/96/31/74/607963174.db2.gz SUKJQWKIZOPVGL-UHFFFAOYSA-N -1 3 371.813 3.020 20 0 FGADHM Cc1cnc(Nc2ccc(OCc3cccc(-c4nnn[n-]4)c3)cc2)nc1 ZINC000826319165 607965749 /nfs/dbraw/zinc/96/57/49/607965749.db2.gz QLQFXWMDZLMXCM-UHFFFAOYSA-N -1 3 359.393 3.288 20 0 FGADHM Cc1cnc(Nc2ccc(OCc3cccc(-c4nn[n-]n4)c3)cc2)nc1 ZINC000826319165 607965750 /nfs/dbraw/zinc/96/57/50/607965750.db2.gz QLQFXWMDZLMXCM-UHFFFAOYSA-N -1 3 359.393 3.288 20 0 FGADHM Brc1cc(-c2nn[n-]n2)ccc1N1CCc2ccccc2C1 ZINC000823826779 607986920 /nfs/dbraw/zinc/98/69/20/607986920.db2.gz OUBUVFNCJRULOI-UHFFFAOYSA-N -1 3 356.227 3.192 20 0 FGADHM COc1cc(C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)ccc1Cl ZINC000826177762 607993283 /nfs/dbraw/zinc/99/32/83/607993283.db2.gz UPAYDEJQDMNQDS-JTQLQIEISA-N -1 3 358.785 3.447 20 0 FGADHM COc1cc(C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)ccc1Cl ZINC000826177762 607993284 /nfs/dbraw/zinc/99/32/84/607993284.db2.gz UPAYDEJQDMNQDS-JTQLQIEISA-N -1 3 358.785 3.447 20 0 FGADHM COc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)ccc1Cl ZINC000826177444 608000032 /nfs/dbraw/zinc/00/00/32/608000032.db2.gz IWUMHSLYKWLPQZ-UHFFFAOYSA-N -1 3 364.192 3.434 20 0 FGADHM COc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)ccc1Cl ZINC000826177444 608000033 /nfs/dbraw/zinc/00/00/33/608000033.db2.gz IWUMHSLYKWLPQZ-UHFFFAOYSA-N -1 3 364.192 3.434 20 0 FGADHM C[C@@H](CNc1ccc(F)cc1-c1nnn[n-]1)c1nc(-c2ccccc2)no1 ZINC000824432860 608016932 /nfs/dbraw/zinc/01/69/32/608016932.db2.gz AIWWSQBTBUUIER-NSHDSACASA-N -1 3 365.372 3.271 20 0 FGADHM C[C@@H](CNc1ccc(F)cc1-c1nn[n-]n1)c1nc(-c2ccccc2)no1 ZINC000824432860 608016933 /nfs/dbraw/zinc/01/69/33/608016933.db2.gz AIWWSQBTBUUIER-NSHDSACASA-N -1 3 365.372 3.271 20 0 FGADHM Cn1c2ccc(Nc3ccc(Cl)c(-c4nnn[n-]4)n3)cc2nc1C1CC1 ZINC000826354962 608018410 /nfs/dbraw/zinc/01/84/10/608018410.db2.gz DCVQEUSYGFRDME-UHFFFAOYSA-N -1 3 366.816 3.423 20 0 FGADHM Cn1c2ccc(Nc3ccc(Cl)c(-c4nn[n-]n4)n3)cc2nc1C1CC1 ZINC000826354962 608018411 /nfs/dbraw/zinc/01/84/11/608018411.db2.gz DCVQEUSYGFRDME-UHFFFAOYSA-N -1 3 366.816 3.423 20 0 FGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)NC1CCC(F)(F)CC1 ZINC000824147880 608049132 /nfs/dbraw/zinc/04/91/32/608049132.db2.gz IFXNIOAEIDZLJP-UHFFFAOYSA-N -1 3 367.404 3.123 20 0 FGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)NC1CCC(F)(F)CC1 ZINC000824147880 608049133 /nfs/dbraw/zinc/04/91/33/608049133.db2.gz IFXNIOAEIDZLJP-UHFFFAOYSA-N -1 3 367.404 3.123 20 0 FGADHM CC(C)[C@H]1OCC[C@H]1CNc1ccc(-c2nn[n-]n2)cc1Br ZINC000824229894 608050672 /nfs/dbraw/zinc/05/06/72/608050672.db2.gz XFHQIZSXJRCVLG-SMDDNHRTSA-N -1 3 366.263 3.102 20 0 FGADHM Cc1ccccc1[C@H](CO)Nc1ccc(-c2nn[n-]n2)cc1Br ZINC000826305608 608050837 /nfs/dbraw/zinc/05/08/37/608050837.db2.gz CUYZCCUKHNNIOH-HNNXBMFYSA-N -1 3 374.242 3.083 20 0 FGADHM CC(C)Cc1ccc([C@@H](C)C(=O)NCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824280853 608052728 /nfs/dbraw/zinc/05/27/28/608052728.db2.gz WVLKJJQGKPHBBO-OAHLLOKOSA-N -1 3 363.465 3.485 20 0 FGADHM CC(C)Cc1ccc([C@@H](C)C(=O)NCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824280853 608052729 /nfs/dbraw/zinc/05/27/29/608052729.db2.gz WVLKJJQGKPHBBO-OAHLLOKOSA-N -1 3 363.465 3.485 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1c[nH]c2cccc(F)c12 ZINC000825626693 608058364 /nfs/dbraw/zinc/05/83/64/608058364.db2.gz PFMIHSJMVSWDQJ-UHFFFAOYSA-N -1 3 366.356 3.138 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1c[nH]c2cccc(F)c12 ZINC000825626693 608058365 /nfs/dbraw/zinc/05/83/65/608058365.db2.gz PFMIHSJMVSWDQJ-UHFFFAOYSA-N -1 3 366.356 3.138 20 0 FGADHM O=C(OCCCSCc1ccccc1)c1cc(-c2nnn[n-]2)cs1 ZINC000826463879 608058707 /nfs/dbraw/zinc/05/87/07/608058707.db2.gz YFWWTXXUYNAEED-UHFFFAOYSA-N -1 3 360.464 3.409 20 0 FGADHM O=C(OCCCSCc1ccccc1)c1cc(-c2nn[n-]n2)cs1 ZINC000826463879 608058708 /nfs/dbraw/zinc/05/87/08/608058708.db2.gz YFWWTXXUYNAEED-UHFFFAOYSA-N -1 3 360.464 3.409 20 0 FGADHM Clc1ccc(CN2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)s1 ZINC000826351882 608071975 /nfs/dbraw/zinc/07/19/75/608071975.db2.gz FLZMILATLNZZDR-CQSZACIVSA-N -1 3 361.858 3.155 20 0 FGADHM Clc1ccc(CN2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)s1 ZINC000826351882 608071976 /nfs/dbraw/zinc/07/19/76/608071976.db2.gz FLZMILATLNZZDR-CQSZACIVSA-N -1 3 361.858 3.155 20 0 FGADHM Cc1c(Cl)cc(F)c(NC(=O)c2cc(-c3nnn[n-]3)cs2)c1F ZINC000826236210 608074138 /nfs/dbraw/zinc/07/41/38/608074138.db2.gz CKNQFIUSYWSXGG-UHFFFAOYSA-N -1 3 355.757 3.421 20 0 FGADHM Cc1c(Cl)cc(F)c(NC(=O)c2cc(-c3nn[n-]n3)cs2)c1F ZINC000826236210 608074139 /nfs/dbraw/zinc/07/41/39/608074139.db2.gz CKNQFIUSYWSXGG-UHFFFAOYSA-N -1 3 355.757 3.421 20 0 FGADHM CC[C@H](C)n1ncc(NC(=O)c2ccc(-c3nnn[n-]3)cc2C)c1C1CC1 ZINC000825081690 608102684 /nfs/dbraw/zinc/10/26/84/608102684.db2.gz MDHSEAKYSUAOJD-LBPRGKRZSA-N -1 3 365.441 3.472 20 0 FGADHM CC[C@H](C)n1ncc(NC(=O)c2ccc(-c3nn[n-]n3)cc2C)c1C1CC1 ZINC000825081690 608102685 /nfs/dbraw/zinc/10/26/85/608102685.db2.gz MDHSEAKYSUAOJD-LBPRGKRZSA-N -1 3 365.441 3.472 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1cc(F)c(Cl)cc1F ZINC000826454469 608115264 /nfs/dbraw/zinc/11/52/64/608115264.db2.gz YAGBEXGOVKBZDH-UHFFFAOYSA-N -1 3 353.691 3.190 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1cc(F)c(Cl)cc1F ZINC000826454469 608115265 /nfs/dbraw/zinc/11/52/65/608115265.db2.gz YAGBEXGOVKBZDH-UHFFFAOYSA-N -1 3 353.691 3.190 20 0 FGADHM CC(C)n1cccc1C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000824371667 608115272 /nfs/dbraw/zinc/11/52/72/608115272.db2.gz NQWDFKMHTUMKTJ-UHFFFAOYSA-N -1 3 350.426 3.054 20 0 FGADHM CC(C)n1cccc1C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000824371667 608115273 /nfs/dbraw/zinc/11/52/73/608115273.db2.gz NQWDFKMHTUMKTJ-UHFFFAOYSA-N -1 3 350.426 3.054 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cc(C)c(F)c(C)c1 ZINC000825626682 608119913 /nfs/dbraw/zinc/11/99/13/608119913.db2.gz OXJCYOWEXFDHTB-UHFFFAOYSA-N -1 3 355.373 3.274 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(C)c(F)c(C)c1 ZINC000825626682 608119914 /nfs/dbraw/zinc/11/99/14/608119914.db2.gz OXJCYOWEXFDHTB-UHFFFAOYSA-N -1 3 355.373 3.274 20 0 FGADHM C[C@H](C[C@H](O)c1ccco1)Nc1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000824393847 608123355 /nfs/dbraw/zinc/12/33/55/608123355.db2.gz URCSFWYGQRUKJX-RNCFNFMXSA-N -1 3 367.331 3.403 20 0 FGADHM C[C@H](C[C@H](O)c1ccco1)Nc1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000824393847 608123356 /nfs/dbraw/zinc/12/33/56/608123356.db2.gz URCSFWYGQRUKJX-RNCFNFMXSA-N -1 3 367.331 3.403 20 0 FGADHM C[C@H](C[C@H](O)c1ccco1)Nc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000824393275 608123448 /nfs/dbraw/zinc/12/34/48/608123448.db2.gz RFAQIUXPIWASJC-RNCFNFMXSA-N -1 3 367.331 3.403 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)O[C@@H]1CCOc2c(Cl)cccc21 ZINC000826423455 608128602 /nfs/dbraw/zinc/12/86/02/608128602.db2.gz PSBBLWMAOMMUSD-OAHLLOKOSA-N -1 3 370.796 3.130 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)O[C@@H]1CCOc2c(Cl)cccc21 ZINC000826423455 608128603 /nfs/dbraw/zinc/12/86/03/608128603.db2.gz PSBBLWMAOMMUSD-OAHLLOKOSA-N -1 3 370.796 3.130 20 0 FGADHM Cc1ccc([C@@H]2CCN(C(=O)C=Cc3ccccc3-c3nnn[n-]3)C2)cc1 ZINC000826286050 608129984 /nfs/dbraw/zinc/12/99/84/608129984.db2.gz QVBOLISVGPGREP-RXQFDZFGSA-N -1 3 359.433 3.204 20 0 FGADHM Cc1ccc([C@@H]2CCN(C(=O)C=Cc3ccccc3-c3nn[n-]n3)C2)cc1 ZINC000826286050 608129985 /nfs/dbraw/zinc/12/99/85/608129985.db2.gz QVBOLISVGPGREP-RXQFDZFGSA-N -1 3 359.433 3.204 20 0 FGADHM C[C@H]1CCCC[C@@H]1CNc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1 ZINC000824936504 608131369 /nfs/dbraw/zinc/13/13/69/608131369.db2.gz IHLXWSBSEGUMKN-LSDHHAIUSA-N -1 3 370.501 3.066 20 0 FGADHM C[C@H]1CCCC[C@@H]1CNc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1 ZINC000824936504 608131370 /nfs/dbraw/zinc/13/13/70/608131370.db2.gz IHLXWSBSEGUMKN-LSDHHAIUSA-N -1 3 370.501 3.066 20 0 FGADHM COCCOc1ccc(-c2nnn[n-]2)cc1NCc1ccccc1C1CC1 ZINC000826162534 608136461 /nfs/dbraw/zinc/13/64/61/608136461.db2.gz HCGIHSGNFPCMRT-UHFFFAOYSA-N -1 3 365.437 3.381 20 0 FGADHM COCCOc1ccc(-c2nn[n-]n2)cc1NCc1ccccc1C1CC1 ZINC000826162534 608136462 /nfs/dbraw/zinc/13/64/62/608136462.db2.gz HCGIHSGNFPCMRT-UHFFFAOYSA-N -1 3 365.437 3.381 20 0 FGADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N[C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000826304367 608150453 /nfs/dbraw/zinc/15/04/53/608150453.db2.gz IQFPXSMHEXZUJJ-BBRMVZONSA-N -1 3 366.469 3.151 20 0 FGADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N[C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000826304367 608150454 /nfs/dbraw/zinc/15/04/54/608150454.db2.gz IQFPXSMHEXZUJJ-BBRMVZONSA-N -1 3 366.469 3.151 20 0 FGADHM Cc1cc([C@@H]2CN(c3ccc(F)cc3-c3nnn[n-]3)CCO2)ccc1F ZINC000826266134 608151672 /nfs/dbraw/zinc/15/16/72/608151672.db2.gz CVVFBMHGVRFXEZ-KRWDZBQOSA-N -1 3 357.364 3.031 20 0 FGADHM Cc1cc([C@@H]2CN(c3ccc(F)cc3-c3nn[n-]n3)CCO2)ccc1F ZINC000826266134 608151673 /nfs/dbraw/zinc/15/16/73/608151673.db2.gz CVVFBMHGVRFXEZ-KRWDZBQOSA-N -1 3 357.364 3.031 20 0 FGADHM Cc1cc([C@@H]2CN(Cc3cc(F)ccc3-c3nnn[n-]3)CCO2)ccc1F ZINC000826266652 608172884 /nfs/dbraw/zinc/17/28/84/608172884.db2.gz WWQPSRXLSPPVQO-SFHVURJKSA-N -1 3 371.391 3.027 20 0 FGADHM Cc1cc([C@@H]2CN(Cc3cc(F)ccc3-c3nn[n-]n3)CCO2)ccc1F ZINC000826266652 608172885 /nfs/dbraw/zinc/17/28/85/608172885.db2.gz WWQPSRXLSPPVQO-SFHVURJKSA-N -1 3 371.391 3.027 20 0 FGADHM CCc1ccsc1C(=O)Nc1nc2cc(-c3nnn[n-]3)ccc2n1CC ZINC000825735353 608173316 /nfs/dbraw/zinc/17/33/16/608173316.db2.gz RFDBSJBBGTYXDX-UHFFFAOYSA-N -1 3 367.438 3.113 20 0 FGADHM CCc1ccsc1C(=O)Nc1nc2cc(-c3nn[n-]n3)ccc2n1CC ZINC000825735353 608173318 /nfs/dbraw/zinc/17/33/18/608173318.db2.gz RFDBSJBBGTYXDX-UHFFFAOYSA-N -1 3 367.438 3.113 20 0 FGADHM CCC(CC)[C@H](C)C(=O)Nc1nc2cc(-c3nnn[n-]3)ccc2n1CC ZINC000825097378 608176547 /nfs/dbraw/zinc/17/65/47/608176547.db2.gz WBDXCKBYHOHHBD-NSHDSACASA-N -1 3 355.446 3.247 20 0 FGADHM CCC(CC)[C@H](C)C(=O)Nc1nc2cc(-c3nn[n-]n3)ccc2n1CC ZINC000825097378 608176548 /nfs/dbraw/zinc/17/65/48/608176548.db2.gz WBDXCKBYHOHHBD-NSHDSACASA-N -1 3 355.446 3.247 20 0 FGADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)[C@@H]1CCC[C@@H](C)C1 ZINC000825789132 608178818 /nfs/dbraw/zinc/17/88/18/608178818.db2.gz WXOZAQBQMBJCQV-DGCLKSJQSA-N -1 3 353.430 3.001 20 0 FGADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)[C@@H]1CCC[C@@H](C)C1 ZINC000825789132 608178820 /nfs/dbraw/zinc/17/88/20/608178820.db2.gz WXOZAQBQMBJCQV-DGCLKSJQSA-N -1 3 353.430 3.001 20 0 FGADHM O=S(=O)(c1ccc(Sc2ccc(-c3nnn[n-]3)cc2)cc1)C(F)F ZINC000826495026 608179824 /nfs/dbraw/zinc/17/98/24/608179824.db2.gz ACMITGSNNLRENM-UHFFFAOYSA-N -1 3 368.390 3.014 20 0 FGADHM O=S(=O)(c1ccc(Sc2ccc(-c3nn[n-]n3)cc2)cc1)C(F)F ZINC000826495026 608179825 /nfs/dbraw/zinc/17/98/25/608179825.db2.gz ACMITGSNNLRENM-UHFFFAOYSA-N -1 3 368.390 3.014 20 0 FGADHM CC[C@@H](Oc1ccccc1F)C(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000825160170 608184315 /nfs/dbraw/zinc/18/43/15/608184315.db2.gz XYZBZHYFNYIWCT-BLLLJJGKSA-N -1 3 370.384 3.468 20 0 FGADHM CC[C@@H](Oc1ccccc1F)C(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000825160170 608184317 /nfs/dbraw/zinc/18/43/17/608184317.db2.gz XYZBZHYFNYIWCT-BLLLJJGKSA-N -1 3 370.384 3.468 20 0 FGADHM CCO[C@@H](C)c1noc(CSc2cccc(Cl)c2-c2nnn[n-]2)n1 ZINC000825576355 608206810 /nfs/dbraw/zinc/20/68/10/608206810.db2.gz DYNOIRWNRIOSIK-QMMMGPOBSA-N -1 3 366.834 3.293 20 0 FGADHM CCO[C@@H](C)c1noc(CSc2cccc(Cl)c2-c2nn[n-]n2)n1 ZINC000825576355 608206812 /nfs/dbraw/zinc/20/68/12/608206812.db2.gz DYNOIRWNRIOSIK-QMMMGPOBSA-N -1 3 366.834 3.293 20 0 FGADHM CN(C)C(=O)[C@H](Sc1cccc(Cl)c1-c1nnn[n-]1)c1ccccc1 ZINC000825833172 608207161 /nfs/dbraw/zinc/20/71/61/608207161.db2.gz AJAJHWPDERAVQA-OAHLLOKOSA-N -1 3 373.869 3.442 20 0 FGADHM CN(C)C(=O)[C@H](Sc1cccc(Cl)c1-c1nn[n-]n1)c1ccccc1 ZINC000825833172 608207163 /nfs/dbraw/zinc/20/71/63/608207163.db2.gz AJAJHWPDERAVQA-OAHLLOKOSA-N -1 3 373.869 3.442 20 0 FGADHM O[C@@H](COc1ccc(-c2nnn[n-]2)cc1Cl)c1ccc(Cl)cc1 ZINC000826510927 608221116 /nfs/dbraw/zinc/22/11/16/608221116.db2.gz SANCSFGRQZQESV-ZDUSSCGKSA-N -1 3 351.193 3.286 20 0 FGADHM O[C@@H](COc1ccc(-c2nn[n-]n2)cc1Cl)c1ccc(Cl)cc1 ZINC000826510927 608221118 /nfs/dbraw/zinc/22/11/18/608221118.db2.gz SANCSFGRQZQESV-ZDUSSCGKSA-N -1 3 351.193 3.286 20 0 FGADHM C[C@H](Nc1ccc2cc(-c3nnn[n-]3)ccc2n1)c1nc2ccccc2[nH]1 ZINC000824662308 608224776 /nfs/dbraw/zinc/22/47/76/608224776.db2.gz IEYOGNBOKOGPEL-NSHDSACASA-N -1 3 356.393 3.464 20 0 FGADHM C[C@H](Nc1ccc2cc(-c3nn[n-]n3)ccc2n1)c1nc2ccccc2[nH]1 ZINC000824662308 608224778 /nfs/dbraw/zinc/22/47/78/608224778.db2.gz IEYOGNBOKOGPEL-NSHDSACASA-N -1 3 356.393 3.464 20 0 FGADHM Cc1nc(C)c(CCNc2ccc3cc(-c4nn[n-]n4)ccc3n2)s1 ZINC000826324628 608227125 /nfs/dbraw/zinc/22/71/25/608227125.db2.gz YPXNCHSGTHNJQX-UHFFFAOYSA-N -1 3 351.439 3.143 20 0 FGADHM Cc1nc(C)c(CCNc2ccc3cc(-c4nnn[n-]4)ccc3n2)s1 ZINC000826324628 608227124 /nfs/dbraw/zinc/22/71/24/608227124.db2.gz YPXNCHSGTHNJQX-UHFFFAOYSA-N -1 3 351.439 3.143 20 0 FGADHM c1csc([C@H]2CN(c3ccc4cc(-c5nnn[n-]5)ccc4n3)CCO2)c1 ZINC000826526361 608233704 /nfs/dbraw/zinc/23/37/04/608233704.db2.gz VRPNPFYPWPXKDZ-OAHLLOKOSA-N -1 3 364.434 3.054 20 0 FGADHM c1csc([C@H]2CN(c3ccc4cc(-c5nn[n-]n5)ccc4n3)CCO2)c1 ZINC000826526361 608233706 /nfs/dbraw/zinc/23/37/06/608233706.db2.gz VRPNPFYPWPXKDZ-OAHLLOKOSA-N -1 3 364.434 3.054 20 0 FGADHM COc1ccc([C@@H](OC)[C@H](C)Nc2nc(C)cc(C)c2-c2nnn[n-]2)cc1 ZINC000826189733 608239093 /nfs/dbraw/zinc/23/90/93/608239093.db2.gz CYJOTCIEIAEITD-GUYCJALGSA-N -1 3 368.441 3.075 20 0 FGADHM COc1ccc([C@@H](OC)[C@H](C)Nc2nc(C)cc(C)c2-c2nn[n-]n2)cc1 ZINC000826189733 608239094 /nfs/dbraw/zinc/23/90/94/608239094.db2.gz CYJOTCIEIAEITD-GUYCJALGSA-N -1 3 368.441 3.075 20 0 FGADHM CC(C)(CNC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)C1CCCCC1 ZINC000824158585 608247704 /nfs/dbraw/zinc/24/77/04/608247704.db2.gz ZFMRVJKSHMEWDQ-UHFFFAOYSA-N -1 3 363.412 3.481 20 0 FGADHM CC(C)(CNC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)C1CCCCC1 ZINC000824158585 608247706 /nfs/dbraw/zinc/24/77/06/608247706.db2.gz ZFMRVJKSHMEWDQ-UHFFFAOYSA-N -1 3 363.412 3.481 20 0 FGADHM CC(C)(C)Oc1cc(F)ccc1NC(=O)c1sccc1-c1nnn[n-]1 ZINC000824119619 608250706 /nfs/dbraw/zinc/25/07/06/608250706.db2.gz MHCBVMKARIRJOV-UHFFFAOYSA-N -1 3 361.402 3.497 20 0 FGADHM CC(C)(C)Oc1cc(F)ccc1NC(=O)c1sccc1-c1nn[n-]n1 ZINC000824119619 608250707 /nfs/dbraw/zinc/25/07/07/608250707.db2.gz MHCBVMKARIRJOV-UHFFFAOYSA-N -1 3 361.402 3.497 20 0 FGADHM COc1ccc(COC(=O)[C@H](c2ccccc2)C2CC2)cc1-c1nnn[n-]1 ZINC000826204699 608253724 /nfs/dbraw/zinc/25/37/24/608253724.db2.gz WHXFWSWGVCXROK-GOSISDBHSA-N -1 3 364.405 3.112 20 0 FGADHM COc1ccc(COC(=O)[C@H](c2ccccc2)C2CC2)cc1-c1nn[n-]n1 ZINC000826204699 608253726 /nfs/dbraw/zinc/25/37/26/608253726.db2.gz WHXFWSWGVCXROK-GOSISDBHSA-N -1 3 364.405 3.112 20 0 FGADHM O=C(Nc1ccccc1-c1nnn[n-]1)c1ccnc(OC2CCCCC2)c1 ZINC000826457890 608259752 /nfs/dbraw/zinc/25/97/52/608259752.db2.gz VAWZSCBLFGTATI-UHFFFAOYSA-N -1 3 364.409 3.226 20 0 FGADHM O=C(Nc1ccccc1-c1nn[n-]n1)c1ccnc(OC2CCCCC2)c1 ZINC000826457890 608259753 /nfs/dbraw/zinc/25/97/53/608259753.db2.gz VAWZSCBLFGTATI-UHFFFAOYSA-N -1 3 364.409 3.226 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)c(N2CCc3c(ccc(Cl)c3Cl)C2)n1 ZINC000826275083 608281968 /nfs/dbraw/zinc/28/19/68/608281968.db2.gz NYCDWFVOULKTST-UHFFFAOYSA-N -1 3 361.236 3.440 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)c(N2CCc3c(ccc(Cl)c3Cl)C2)n1 ZINC000826275083 608281969 /nfs/dbraw/zinc/28/19/69/608281969.db2.gz NYCDWFVOULKTST-UHFFFAOYSA-N -1 3 361.236 3.440 20 0 FGADHM C[C@@H](NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1cccc(F)c1F ZINC000824506203 608283178 /nfs/dbraw/zinc/28/31/78/608283178.db2.gz MOCZCZHEQNLFAC-MRVPVSSYSA-N -1 3 362.315 3.167 20 0 FGADHM C[C@@H](NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1cccc(F)c1F ZINC000824506203 608283180 /nfs/dbraw/zinc/28/31/80/608283180.db2.gz MOCZCZHEQNLFAC-MRVPVSSYSA-N -1 3 362.315 3.167 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)c(NC[C@H](O)c2ccc(Cl)cc2Cl)n1 ZINC000826275627 608286789 /nfs/dbraw/zinc/28/67/89/608286789.db2.gz FQLKXINNNUMWQI-ZDUSSCGKSA-N -1 3 365.224 3.022 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)c(NC[C@H](O)c2ccc(Cl)cc2Cl)n1 ZINC000826275627 608286790 /nfs/dbraw/zinc/28/67/90/608286790.db2.gz FQLKXINNNUMWQI-ZDUSSCGKSA-N -1 3 365.224 3.022 20 0 FGADHM CN(C(=O)C=Cc1ccc2[nH]ccc2c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000825812444 608301209 /nfs/dbraw/zinc/30/12/09/608301209.db2.gz KTKVHQCLFFDJTK-CLTKARDFSA-N -1 3 362.368 3.163 20 0 FGADHM CN(C(=O)C=Cc1ccc2[nH]ccc2c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000825812444 608301211 /nfs/dbraw/zinc/30/12/11/608301211.db2.gz KTKVHQCLFFDJTK-CLTKARDFSA-N -1 3 362.368 3.163 20 0 FGADHM CCCSCC(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000825341344 608303840 /nfs/dbraw/zinc/30/38/40/608303840.db2.gz ALNKBVNZVPTJKS-UHFFFAOYSA-N -1 3 367.478 3.293 20 0 FGADHM CCCSCC(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000825341344 608303842 /nfs/dbraw/zinc/30/38/42/608303842.db2.gz ALNKBVNZVPTJKS-UHFFFAOYSA-N -1 3 367.478 3.293 20 0 FGADHM C(=Cc1ccncn1)c1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000823861627 608317701 /nfs/dbraw/zinc/31/77/01/608317701.db2.gz OQYMKARVSSMSDO-FPLPWBNLSA-N -1 3 356.389 3.406 20 0 FGADHM C(=Cc1ccncn1)c1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000823861627 608317703 /nfs/dbraw/zinc/31/77/03/608317703.db2.gz OQYMKARVSSMSDO-FPLPWBNLSA-N -1 3 356.389 3.406 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1CNc1cccc(NC(=O)C(C)C)c1 ZINC000826170812 608319279 /nfs/dbraw/zinc/31/92/79/608319279.db2.gz QAPXZRKILCXUQU-UHFFFAOYSA-N -1 3 366.425 3.082 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1CNc1cccc(NC(=O)C(C)C)c1 ZINC000826170812 608319281 /nfs/dbraw/zinc/31/92/81/608319281.db2.gz QAPXZRKILCXUQU-UHFFFAOYSA-N -1 3 366.425 3.082 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1CNc1ccc(OC(F)(F)F)cc1 ZINC000826170666 608319364 /nfs/dbraw/zinc/31/93/64/608319364.db2.gz KJCQGFIIWHNDBH-UHFFFAOYSA-N -1 3 365.315 3.386 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1CNc1ccc(OC(F)(F)F)cc1 ZINC000826170666 608319367 /nfs/dbraw/zinc/31/93/67/608319367.db2.gz KJCQGFIIWHNDBH-UHFFFAOYSA-N -1 3 365.315 3.386 20 0 FGADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1F)c1ccc(F)c(Cl)c1F ZINC000826464902 608321472 /nfs/dbraw/zinc/32/14/72/608321472.db2.gz QYUYKALSSAOYIX-UHFFFAOYSA-N -1 3 368.702 3.294 20 0 FGADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1F)c1ccc(F)c(Cl)c1F ZINC000826464902 608321475 /nfs/dbraw/zinc/32/14/75/608321475.db2.gz QYUYKALSSAOYIX-UHFFFAOYSA-N -1 3 368.702 3.294 20 0 FGADHM CS[C@H](C)CCC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826225813 608321916 /nfs/dbraw/zinc/32/19/16/608321916.db2.gz LNQHDTRGOHLECO-CYBMUJFWSA-N -1 3 357.483 3.014 20 0 FGADHM CS[C@H](C)CCC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826225813 608321918 /nfs/dbraw/zinc/32/19/18/608321918.db2.gz LNQHDTRGOHLECO-CYBMUJFWSA-N -1 3 357.483 3.014 20 0 FGADHM CC[C@@H](CSC)N(C)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825120576 608336576 /nfs/dbraw/zinc/33/65/76/608336576.db2.gz LUJYGKYUPVFESF-JTQLQIEISA-N -1 3 354.867 3.125 20 0 FGADHM CC[C@@H](CSC)N(C)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825120576 608336578 /nfs/dbraw/zinc/33/65/78/608336578.db2.gz LUJYGKYUPVFESF-JTQLQIEISA-N -1 3 354.867 3.125 20 0 FGADHM O=C(Nc1ccc(COc2ccccc2)cc1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000826453391 608338277 /nfs/dbraw/zinc/33/82/77/608338277.db2.gz JEVADVGBKOGJHH-UHFFFAOYSA-N -1 3 360.377 3.026 20 0 FGADHM O=C(Nc1ccc(COc2ccccc2)cc1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000826453391 608338278 /nfs/dbraw/zinc/33/82/78/608338278.db2.gz JEVADVGBKOGJHH-UHFFFAOYSA-N -1 3 360.377 3.026 20 0 FGADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2cc(C)c(OC)c(C)c2)s1 ZINC000825693731 608340668 /nfs/dbraw/zinc/34/06/68/608340668.db2.gz BRCNJIQCWCZYRH-UHFFFAOYSA-N -1 3 357.439 3.368 20 0 FGADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2cc(C)c(OC)c(C)c2)s1 ZINC000825693731 608340670 /nfs/dbraw/zinc/34/06/70/608340670.db2.gz BRCNJIQCWCZYRH-UHFFFAOYSA-N -1 3 357.439 3.368 20 0 FGADHM CCN(C(=O)c1sc(C)nc1C)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825391058 608346193 /nfs/dbraw/zinc/34/61/93/608346193.db2.gz UBWKINCBARCXRN-UHFFFAOYSA-N -1 3 362.846 3.260 20 0 FGADHM CCN(C(=O)c1sc(C)nc1C)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825391058 608346195 /nfs/dbraw/zinc/34/61/95/608346195.db2.gz UBWKINCBARCXRN-UHFFFAOYSA-N -1 3 362.846 3.260 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)C/C=C\c1cccc(F)c1 ZINC000826171559 608361857 /nfs/dbraw/zinc/36/18/57/608361857.db2.gz QYUDZGZJUMMVBV-HYXAFXHYSA-N -1 3 368.368 3.161 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)C/C=C\c1cccc(F)c1 ZINC000826171559 608361858 /nfs/dbraw/zinc/36/18/58/608361858.db2.gz QYUDZGZJUMMVBV-HYXAFXHYSA-N -1 3 368.368 3.161 20 0 FGADHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1NCCCNc1ccccn1 ZINC000826368191 608369871 /nfs/dbraw/zinc/36/98/71/608369871.db2.gz GEQZIIHLVCLRDO-UHFFFAOYSA-N -1 3 363.347 3.195 20 0 FGADHM c1[nH]c(CNc2nc3c(cc2-c2nnn[n-]2)CCCC3)nc1-c1ccccc1 ZINC000826519221 608376943 /nfs/dbraw/zinc/37/69/43/608376943.db2.gz OZNRRFCMXDNHJC-UHFFFAOYSA-N -1 3 372.436 3.143 20 0 FGADHM c1[nH]c(CNc2nc3c(cc2-c2nn[n-]n2)CCCC3)nc1-c1ccccc1 ZINC000826519221 608376945 /nfs/dbraw/zinc/37/69/45/608376945.db2.gz OZNRRFCMXDNHJC-UHFFFAOYSA-N -1 3 372.436 3.143 20 0 FGADHM C[C@@H](Sc1ccccc1-c1nnn[n-]1)C(=O)c1c[nH]c2ncccc12 ZINC000824755321 608397772 /nfs/dbraw/zinc/39/77/72/608397772.db2.gz LFLVCCSVSLPOAE-SNVBAGLBSA-N -1 3 350.407 3.107 20 0 FGADHM C[C@@H](Sc1ccccc1-c1nn[n-]n1)C(=O)c1c[nH]c2ncccc12 ZINC000824755321 608397774 /nfs/dbraw/zinc/39/77/74/608397774.db2.gz LFLVCCSVSLPOAE-SNVBAGLBSA-N -1 3 350.407 3.107 20 0 FGADHM CC[C@H](C)C[C@H](C)NC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000825060190 608415036 /nfs/dbraw/zinc/41/50/36/608415036.db2.gz OFXFASKTAZODFF-GJZGRUSLSA-N -1 3 368.485 3.490 20 0 FGADHM CC[C@H](C)C[C@H](C)NC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825060190 608415038 /nfs/dbraw/zinc/41/50/38/608415038.db2.gz OFXFASKTAZODFF-GJZGRUSLSA-N -1 3 368.485 3.490 20 0 FGADHM CC[C@H](N[C@H](C(=O)OC)c1cccc(-c2nnn[n-]2)c1)c1ccc(C)cc1 ZINC000825141028 608426104 /nfs/dbraw/zinc/42/61/04/608426104.db2.gz MSXMIJNVTLIGSG-ROUUACIJSA-N -1 3 365.437 3.130 20 0 FGADHM CC[C@H](N[C@H](C(=O)OC)c1cccc(-c2nn[n-]n2)c1)c1ccc(C)cc1 ZINC000825141028 608426105 /nfs/dbraw/zinc/42/61/05/608426105.db2.gz MSXMIJNVTLIGSG-ROUUACIJSA-N -1 3 365.437 3.130 20 0 FGADHM COc1ccccc1C(C)=CC(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826218902 608446328 /nfs/dbraw/zinc/44/63/28/608446328.db2.gz NUNHPYGKOFQGEB-BENRWUELSA-N -1 3 368.368 3.161 20 0 FGADHM COc1ccccc1C(C)=CC(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826218902 608446330 /nfs/dbraw/zinc/44/63/30/608446330.db2.gz NUNHPYGKOFQGEB-BENRWUELSA-N -1 3 368.368 3.161 20 0 FGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)c1csc(-c2ccoc2)n1 ZINC000826466646 608448761 /nfs/dbraw/zinc/44/87/61/608448761.db2.gz NERGQMJJAXYGJN-UHFFFAOYSA-N -1 3 371.353 3.079 20 0 FGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)c1csc(-c2ccoc2)n1 ZINC000826466646 608448763 /nfs/dbraw/zinc/44/87/63/608448763.db2.gz NERGQMJJAXYGJN-UHFFFAOYSA-N -1 3 371.353 3.079 20 0 FGADHM CC(C)(C)c1ncsc1C(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000824142492 608449438 /nfs/dbraw/zinc/44/94/38/608449438.db2.gz VDTSJQRLHUGGET-UHFFFAOYSA-N -1 3 361.402 3.117 20 0 FGADHM CC(C)(C)c1ncsc1C(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000824142492 608449440 /nfs/dbraw/zinc/44/94/40/608449440.db2.gz VDTSJQRLHUGGET-UHFFFAOYSA-N -1 3 361.402 3.117 20 0 FGADHM Cc1ccc(-c2noc(CN[C@H](C)c3ccc(-c4nnn[n-]4)cc3)n2)cc1 ZINC000826280604 608466089 /nfs/dbraw/zinc/46/60/89/608466089.db2.gz ISXUDPZHRFCQQD-CYBMUJFWSA-N -1 3 361.409 3.076 20 0 FGADHM Cc1ccc(-c2noc(CN[C@H](C)c3ccc(-c4nn[n-]n4)cc3)n2)cc1 ZINC000826280604 608466090 /nfs/dbraw/zinc/46/60/90/608466090.db2.gz ISXUDPZHRFCQQD-CYBMUJFWSA-N -1 3 361.409 3.076 20 0 FGADHM CC(=O)Nc1ccc(Cl)cc1NCc1cccc(-c2nnn[n-]2)c1F ZINC000823999671 608480484 /nfs/dbraw/zinc/48/04/84/608480484.db2.gz GPPOUVFSARZODL-UHFFFAOYSA-N -1 3 360.780 3.230 20 0 FGADHM CC(=O)Nc1ccc(Cl)cc1NCc1cccc(-c2nn[n-]n2)c1F ZINC000823999671 608480486 /nfs/dbraw/zinc/48/04/86/608480486.db2.gz GPPOUVFSARZODL-UHFFFAOYSA-N -1 3 360.780 3.230 20 0 FGADHM CC[C@@H](NCc1ccc(-c2nn[n-]n2)cc1OC)c1cc(F)ccc1F ZINC000825140961 608536487 /nfs/dbraw/zinc/53/64/87/608536487.db2.gz MCGDJZYEXRVMOW-MRXNPFEDSA-N -1 3 359.380 3.394 20 0 FGADHM O=C(Nc1sccc1-c1nnn[n-]1)c1ccccc1OC(F)(F)F ZINC000826461290 608540264 /nfs/dbraw/zinc/54/02/64/608540264.db2.gz NUCBNCPSDLYRDH-UHFFFAOYSA-N -1 3 355.301 3.079 20 0 FGADHM O=C(Nc1sccc1-c1nn[n-]n1)c1ccccc1OC(F)(F)F ZINC000826461290 608540266 /nfs/dbraw/zinc/54/02/66/608540266.db2.gz NUCBNCPSDLYRDH-UHFFFAOYSA-N -1 3 355.301 3.079 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)nc1N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000826280767 608542960 /nfs/dbraw/zinc/54/29/60/608542960.db2.gz ORRCLDTZLVTHLG-ZDUSSCGKSA-N -1 3 361.409 3.095 20 0 FGADHM CSc1cccc(NC(=O)c2ncc(-c3nnn[n-]3)cc2Cl)c1C ZINC000826230951 608566908 /nfs/dbraw/zinc/56/69/08/608566908.db2.gz QGVXZOHMQOOBMM-UHFFFAOYSA-N -1 3 360.830 3.198 20 0 FGADHM CSc1cccc(NC(=O)c2ncc(-c3nn[n-]n3)cc2Cl)c1C ZINC000826230951 608566909 /nfs/dbraw/zinc/56/69/09/608566909.db2.gz QGVXZOHMQOOBMM-UHFFFAOYSA-N -1 3 360.830 3.198 20 0 FGADHM CSc1ccsc1C(=O)Nc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC000826231341 608572001 /nfs/dbraw/zinc/57/20/01/608572001.db2.gz HKZYGJNNRVVVCJ-UHFFFAOYSA-N -1 3 372.479 3.176 20 0 FGADHM CSc1ccsc1C(=O)Nc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC000826231341 608572003 /nfs/dbraw/zinc/57/20/03/608572003.db2.gz HKZYGJNNRVVVCJ-UHFFFAOYSA-N -1 3 372.479 3.176 20 0 FGADHM O=C(N[C@H]1CCSc2ccccc21)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826432004 608574011 /nfs/dbraw/zinc/57/40/11/608574011.db2.gz PUNUQINFEJAJDT-AWEZNQCLSA-N -1 3 371.853 3.487 20 0 FGADHM O=C(N[C@H]1CCSc2ccccc21)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826432004 608574012 /nfs/dbraw/zinc/57/40/12/608574012.db2.gz PUNUQINFEJAJDT-AWEZNQCLSA-N -1 3 371.853 3.487 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@H](C)CCCc1ccccc1 ZINC000826174284 608581101 /nfs/dbraw/zinc/58/11/01/608581101.db2.gz QIWIMRPOSBBTCT-CQSZACIVSA-N -1 3 366.421 3.440 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@H](C)CCCc1ccccc1 ZINC000826174284 608581102 /nfs/dbraw/zinc/58/11/02/608581102.db2.gz QIWIMRPOSBBTCT-CQSZACIVSA-N -1 3 366.421 3.440 20 0 FGADHM CC[C@H](C(=O)Nc1cc(-c2nnn[n-]2)ccc1C)c1ccc(OC)cc1 ZINC000825040070 608583952 /nfs/dbraw/zinc/58/39/52/608583952.db2.gz YMBLCOFXLPYDQQ-INIZCTEOSA-N -1 3 351.410 3.316 20 0 FGADHM CC[C@H](C(=O)Nc1cc(-c2nn[n-]n2)ccc1C)c1ccc(OC)cc1 ZINC000825040070 608583954 /nfs/dbraw/zinc/58/39/54/608583954.db2.gz YMBLCOFXLPYDQQ-INIZCTEOSA-N -1 3 351.410 3.316 20 0 FGADHM CC1(C)CC[C@H](NC(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)C1 ZINC000824801403 608586058 /nfs/dbraw/zinc/58/60/58/608586058.db2.gz FEQWCFPZTFFCON-KRWDZBQOSA-N -1 3 366.469 3.244 20 0 FGADHM CC1(C)CC[C@H](NC(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC000824801403 608586059 /nfs/dbraw/zinc/58/60/59/608586059.db2.gz FEQWCFPZTFFCON-KRWDZBQOSA-N -1 3 366.469 3.244 20 0 FGADHM COc1ccc([C@@H](C)COC(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000826188442 608592712 /nfs/dbraw/zinc/59/27/12/608592712.db2.gz XGUARWHGDYUJGZ-UQTJOTSZSA-N -1 3 364.405 3.235 20 0 FGADHM COc1ccc([C@@H](C)COC(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000826188442 608592713 /nfs/dbraw/zinc/59/27/13/608592713.db2.gz XGUARWHGDYUJGZ-UQTJOTSZSA-N -1 3 364.405 3.235 20 0 FGADHM CCCOc1ccc(NC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000825339278 608600522 /nfs/dbraw/zinc/60/05/22/608600522.db2.gz VFPUIRATHPQIFE-UHFFFAOYSA-N -1 3 356.361 3.439 20 0 FGADHM CCCOc1ccc(NC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000825339278 608600525 /nfs/dbraw/zinc/60/05/25/608600525.db2.gz VFPUIRATHPQIFE-UHFFFAOYSA-N -1 3 356.361 3.439 20 0 FGADHM Cc1ccccc1[C@H]1CN(Cc2cc(-c3nnn[n-]3)cs2)[C@@H](C)CO1 ZINC000826307240 608721432 /nfs/dbraw/zinc/72/14/32/608721432.db2.gz ZPWYLLZWABQHOZ-SUMWQHHRSA-N -1 3 355.467 3.199 20 0 FGADHM Cc1ccccc1[C@H]1CN(Cc2cc(-c3nn[n-]n3)cs2)[C@@H](C)CO1 ZINC000826307240 608721434 /nfs/dbraw/zinc/72/14/34/608721434.db2.gz ZPWYLLZWABQHOZ-SUMWQHHRSA-N -1 3 355.467 3.199 20 0 FGADHM Fc1ccc(OCCOc2ccc(-c3nnn[n-]3)cc2F)c(Cl)c1 ZINC000826375991 608752579 /nfs/dbraw/zinc/75/25/79/608752579.db2.gz KDHUUEYWBAHFFP-UHFFFAOYSA-N -1 3 352.728 3.256 20 0 FGADHM Fc1ccc(OCCOc2ccc(-c3nn[n-]n3)cc2F)c(Cl)c1 ZINC000826375991 608752581 /nfs/dbraw/zinc/75/25/81/608752581.db2.gz KDHUUEYWBAHFFP-UHFFFAOYSA-N -1 3 352.728 3.256 20 0 FGADHM Fc1ccc(OCCSc2cc(-c3nnn[n-]3)ccn2)c(Cl)c1 ZINC000826375981 608754937 /nfs/dbraw/zinc/75/49/37/608754937.db2.gz JPVOFWIRVWBANK-UHFFFAOYSA-N -1 3 351.794 3.225 20 0 FGADHM Fc1ccc(OCCSc2cc(-c3nn[n-]n3)ccn2)c(Cl)c1 ZINC000826375981 608754941 /nfs/dbraw/zinc/75/49/41/608754941.db2.gz JPVOFWIRVWBANK-UHFFFAOYSA-N -1 3 351.794 3.225 20 0 FGADHM C[C@@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)c1sccc1-c1nnn[n-]1 ZINC000825013822 608824850 /nfs/dbraw/zinc/82/48/50/608824850.db2.gz RWDJQGUNFIOVBQ-ZJUUUORDSA-N -1 3 357.414 3.215 20 0 FGADHM C[C@@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)c1sccc1-c1nn[n-]n1 ZINC000825013822 608824853 /nfs/dbraw/zinc/82/48/53/608824853.db2.gz RWDJQGUNFIOVBQ-ZJUUUORDSA-N -1 3 357.414 3.215 20 0 FGADHM Cc1cc(C)cc(C2=CCN(C(=O)c3cc(-c4nnn[n-]4)cs3)CC2)c1 ZINC000826264637 608829139 /nfs/dbraw/zinc/82/91/39/608829139.db2.gz UZXPGYGTSRTGTM-UHFFFAOYSA-N -1 3 365.462 3.475 20 0 FGADHM Cc1cc(C)cc(C2=CCN(C(=O)c3cc(-c4nn[n-]n4)cs3)CC2)c1 ZINC000826264637 608829142 /nfs/dbraw/zinc/82/91/42/608829142.db2.gz UZXPGYGTSRTGTM-UHFFFAOYSA-N -1 3 365.462 3.475 20 0 FGADHM C[C@@H]1C[C@@H]1c1ccc(CN2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)o1 ZINC000824900432 608853385 /nfs/dbraw/zinc/85/33/85/608853385.db2.gz VEMDXAYTVQKRCX-FMEYXAORSA-N -1 3 365.437 3.157 20 0 FGADHM C[C@@H]1C[C@@H]1c1ccc(CN2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)o1 ZINC000824900432 608853387 /nfs/dbraw/zinc/85/33/87/608853387.db2.gz VEMDXAYTVQKRCX-FMEYXAORSA-N -1 3 365.437 3.157 20 0 FGADHM CCCOc1ccc(NCc2cnc3ccc(-c4nnn[n-]4)cn23)c(C)c1 ZINC000825342196 608859640 /nfs/dbraw/zinc/85/96/40/608859640.db2.gz QSGXILNNENBQHB-UHFFFAOYSA-N -1 3 363.425 3.224 20 0 FGADHM CCCOc1ccc(NCc2cnc3ccc(-c4nn[n-]n4)cn23)c(C)c1 ZINC000825342196 608859641 /nfs/dbraw/zinc/85/96/41/608859641.db2.gz QSGXILNNENBQHB-UHFFFAOYSA-N -1 3 363.425 3.224 20 0 FGADHM Cc1ccc(C(F)(F)F)cc1NCc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000826283832 608861718 /nfs/dbraw/zinc/86/17/18/608861718.db2.gz BVVMMZXBRYUDLN-UHFFFAOYSA-N -1 3 373.342 3.454 20 0 FGADHM Cc1ccc(C(F)(F)F)cc1NCc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000826283832 608861721 /nfs/dbraw/zinc/86/17/21/608861721.db2.gz BVVMMZXBRYUDLN-UHFFFAOYSA-N -1 3 373.342 3.454 20 0 FGADHM c1ccc(OCc2cccnc2)c(CNc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826525397 608869859 /nfs/dbraw/zinc/86/98/59/608869859.db2.gz ISTYZEHSICCGBB-UHFFFAOYSA-N -1 3 358.405 3.453 20 0 FGADHM CC(=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1nc(=O)c2ccsc2[nH]1 ZINC000823943946 608881503 /nfs/dbraw/zinc/88/15/03/608881503.db2.gz VNZINZSLAOWKKI-VURMDHGXSA-N -1 3 354.370 3.277 20 0 FGADHM CC(=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1nc(=O)c2ccsc2[nH]1 ZINC000823943946 608881504 /nfs/dbraw/zinc/88/15/04/608881504.db2.gz VNZINZSLAOWKKI-VURMDHGXSA-N -1 3 354.370 3.277 20 0 FGADHM O=C(c1cc(-c2nnn[n-]2)cs1)N1CCC[C@H]1/C=C\c1ccccc1 ZINC000826470507 609139875 /nfs/dbraw/zinc/13/98/75/609139875.db2.gz SKTGNMQREMUOOG-CDNLZTBQSA-N -1 3 351.435 3.246 20 0 FGADHM O=C(c1cc(-c2nn[n-]n2)cs1)N1CCC[C@H]1/C=C\c1ccccc1 ZINC000826470507 609139876 /nfs/dbraw/zinc/13/98/76/609139876.db2.gz SKTGNMQREMUOOG-CDNLZTBQSA-N -1 3 351.435 3.246 20 0 FGADHM COc1ccc(NC(C)=O)cc1N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826209643 609158274 /nfs/dbraw/zinc/15/82/74/609158274.db2.gz KMPHFSMPSNFYCF-LLVKDONJSA-N -1 3 352.398 3.007 20 0 FGADHM COc1ccc(NC(C)=O)cc1N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826209643 609158275 /nfs/dbraw/zinc/15/82/75/609158275.db2.gz KMPHFSMPSNFYCF-LLVKDONJSA-N -1 3 352.398 3.007 20 0 FGADHM C[C@H]1CC[C@@H](C(F)(F)F)CN1C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000824908938 609159075 /nfs/dbraw/zinc/15/90/75/609159075.db2.gz RUHYLZOSLQLVDW-DTWKUNHWSA-N -1 3 372.326 3.201 20 0 FGADHM C[C@H]1CC[C@@H](C(F)(F)F)CN1C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000824908938 609159077 /nfs/dbraw/zinc/15/90/77/609159077.db2.gz RUHYLZOSLQLVDW-DTWKUNHWSA-N -1 3 372.326 3.201 20 0 FGADHM COc1cc(N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc(OC)c1OC ZINC000826180571 609160731 /nfs/dbraw/zinc/16/07/31/609160731.db2.gz NBMJBYLXNZYZRT-LLVKDONJSA-N -1 3 355.398 3.066 20 0 FGADHM COc1cc(N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc(OC)c1OC ZINC000826180571 609160732 /nfs/dbraw/zinc/16/07/32/609160732.db2.gz NBMJBYLXNZYZRT-LLVKDONJSA-N -1 3 355.398 3.066 20 0 FGADHM CCC(CC)(NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1ccc(Cl)cc1 ZINC000825097749 609206992 /nfs/dbraw/zinc/20/69/92/609206992.db2.gz YQFCFHPVRXWMJS-UHFFFAOYSA-N -1 3 358.833 3.294 20 0 FGADHM CCC(CC)(NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccc(Cl)cc1 ZINC000825097749 609206993 /nfs/dbraw/zinc/20/69/93/609206993.db2.gz YQFCFHPVRXWMJS-UHFFFAOYSA-N -1 3 358.833 3.294 20 0 FGADHM C[C@H](c1ccccc1Cl)N(C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC000824771510 609218286 /nfs/dbraw/zinc/21/82/86/609218286.db2.gz QQQVVBWGZJWQOQ-SNVBAGLBSA-N -1 3 356.817 3.214 20 0 FGADHM C[C@H](c1ccccc1Cl)N(C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC000824771510 609218288 /nfs/dbraw/zinc/21/82/88/609218288.db2.gz QQQVVBWGZJWQOQ-SNVBAGLBSA-N -1 3 356.817 3.214 20 0 FGADHM CCOc1ccccc1[C@@H](CC(C)C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000825653987 609219442 /nfs/dbraw/zinc/21/94/42/609219442.db2.gz MDTMCIAMAQKZGB-OAHLLOKOSA-N -1 3 368.441 3.111 20 0 FGADHM CCOc1ccccc1[C@@H](CC(C)C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000825653987 609219443 /nfs/dbraw/zinc/21/94/43/609219443.db2.gz MDTMCIAMAQKZGB-OAHLLOKOSA-N -1 3 368.441 3.111 20 0 FGADHM CC[C@@H](C)Oc1cc(C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)ccn1 ZINC000825075291 609234293 /nfs/dbraw/zinc/23/42/93/609234293.db2.gz OJJWQWHUWWKEGU-CHWSQXEVSA-N -1 3 367.409 3.357 20 0 FGADHM CC[C@@H](C)Oc1cc(C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)ccn1 ZINC000825075291 609234295 /nfs/dbraw/zinc/23/42/95/609234295.db2.gz OJJWQWHUWWKEGU-CHWSQXEVSA-N -1 3 367.409 3.357 20 0 FGADHM CC(C)=CCC[C@H](C)Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1 ZINC000824177332 609241651 /nfs/dbraw/zinc/24/16/51/609241651.db2.gz HGODVJKQLLGJIG-HNNXBMFYSA-N -1 3 370.501 3.375 20 0 FGADHM CC(C)=CCC[C@H](C)Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1 ZINC000824177332 609241652 /nfs/dbraw/zinc/24/16/52/609241652.db2.gz HGODVJKQLLGJIG-HNNXBMFYSA-N -1 3 370.501 3.375 20 0 FGADHM COc1ccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)c(OC)c1OC ZINC000826209781 609247868 /nfs/dbraw/zinc/24/78/68/609247868.db2.gz PZGRAYFLFKZAIJ-JTQLQIEISA-N -1 3 373.388 3.205 20 0 FGADHM COc1ccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)c(OC)c1OC ZINC000826209781 609247869 /nfs/dbraw/zinc/24/78/69/609247869.db2.gz PZGRAYFLFKZAIJ-JTQLQIEISA-N -1 3 373.388 3.205 20 0 FGADHM O=C(Nc1ccccc1Nc1ccc(F)cc1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000826457615 609265414 /nfs/dbraw/zinc/26/54/14/609265414.db2.gz JEMSBKSGYHHIDB-UHFFFAOYSA-N -1 3 363.356 3.330 20 0 FGADHM O=C(Nc1ccccc1Nc1ccc(F)cc1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000826457615 609265415 /nfs/dbraw/zinc/26/54/15/609265415.db2.gz JEMSBKSGYHHIDB-UHFFFAOYSA-N -1 3 363.356 3.330 20 0 FGADHM C[C@H](Nc1ccc(N2CCOC[C@H]2C)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824658574 609279096 /nfs/dbraw/zinc/27/90/96/609279096.db2.gz YNGDRTZVGDYIHP-CABCVRRESA-N -1 3 364.453 3.265 20 0 FGADHM C[C@H](Nc1ccc(N2CCOC[C@H]2C)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824658574 609279097 /nfs/dbraw/zinc/27/90/97/609279097.db2.gz YNGDRTZVGDYIHP-CABCVRRESA-N -1 3 364.453 3.265 20 0 FGADHM CCCCCCC(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000825266740 609290673 /nfs/dbraw/zinc/29/06/73/609290673.db2.gz HBBSVRTWPXKISN-UHFFFAOYSA-N -1 3 357.393 3.100 20 0 FGADHM CC[C@@H](c1ccncc1)N(C)C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000825158882 609291799 /nfs/dbraw/zinc/29/17/99/609291799.db2.gz CZSJAENCQGBERN-HNNXBMFYSA-N -1 3 356.817 3.138 20 0 FGADHM CC[C@@H](c1ccncc1)N(C)C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000825158882 609291801 /nfs/dbraw/zinc/29/18/01/609291801.db2.gz CZSJAENCQGBERN-HNNXBMFYSA-N -1 3 356.817 3.138 20 0 FGADHM Cc1nnc(SCc2ccc(-c3nnn[n-]3)cc2Br)s1 ZINC000826337328 609305887 /nfs/dbraw/zinc/30/58/87/609305887.db2.gz KOPVBIHACIXRMH-UHFFFAOYSA-N -1 3 369.273 3.081 20 0 FGADHM Cc1nnc(SCc2ccc(-c3nn[n-]n3)cc2Br)s1 ZINC000826337328 609305889 /nfs/dbraw/zinc/30/58/89/609305889.db2.gz KOPVBIHACIXRMH-UHFFFAOYSA-N -1 3 369.273 3.081 20 0 FGADHM Cc1nnc(SCCc2c(F)cccc2Cl)c(-c2nnn[n-]2)c1C ZINC000826337223 609307833 /nfs/dbraw/zinc/30/78/33/609307833.db2.gz HRXCCLRDDATWOS-UHFFFAOYSA-N -1 3 364.837 3.401 20 0 FGADHM Cc1nnc(SCCc2c(F)cccc2Cl)c(-c2nn[n-]n2)c1C ZINC000826337223 609307835 /nfs/dbraw/zinc/30/78/35/609307835.db2.gz HRXCCLRDDATWOS-UHFFFAOYSA-N -1 3 364.837 3.401 20 0 FGADHM CC[C@H](C)n1nc(C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)cc1C ZINC000825082800 609309031 /nfs/dbraw/zinc/30/90/31/609309031.db2.gz VWXFUTIKBVHWKO-VIFPVBQESA-N -1 3 359.821 3.248 20 0 FGADHM CC[C@H](C)n1nc(C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)cc1C ZINC000825082800 609309032 /nfs/dbraw/zinc/30/90/32/609309032.db2.gz VWXFUTIKBVHWKO-VIFPVBQESA-N -1 3 359.821 3.248 20 0 FGADHM Cc1nnc(SCc2cccc(OC(C)C)c2)c(-c2nnn[n-]2)c1C ZINC000826337703 609309189 /nfs/dbraw/zinc/30/91/89/609309189.db2.gz XZOIATSTEWQIHO-UHFFFAOYSA-N -1 3 356.455 3.353 20 0 FGADHM Cc1nnc(SCc2cccc(OC(C)C)c2)c(-c2nn[n-]n2)c1C ZINC000826337703 609309191 /nfs/dbraw/zinc/30/91/91/609309191.db2.gz XZOIATSTEWQIHO-UHFFFAOYSA-N -1 3 356.455 3.353 20 0 FGADHM C[C@@H]1OCC[C@H]1SCc1ccc(-c2nnn[n-]2)cc1Br ZINC000825021692 609312576 /nfs/dbraw/zinc/31/25/76/609312576.db2.gz SWLAFXHVFMBJNP-QPUJVOFHSA-N -1 3 355.261 3.040 20 0 FGADHM C[C@@H]1OCC[C@H]1SCc1ccc(-c2nn[n-]n2)cc1Br ZINC000825021692 609312577 /nfs/dbraw/zinc/31/25/77/609312577.db2.gz SWLAFXHVFMBJNP-QPUJVOFHSA-N -1 3 355.261 3.040 20 0 FGADHM CCc1ccc(CNc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)cc1 ZINC000825712085 609319538 /nfs/dbraw/zinc/31/95/38/609319538.db2.gz JXVRTJXNGLUHMB-UHFFFAOYSA-N -1 3 363.400 3.366 20 0 FGADHM CCC(CC)[C@H]1C[C@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)CCO1 ZINC000825106625 609322294 /nfs/dbraw/zinc/32/22/94/609322294.db2.gz GSVIPXHBDZQOPX-TZMCWYRMSA-N -1 3 350.854 3.311 20 0 FGADHM CCC(CC)[C@H]1C[C@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)CCO1 ZINC000825106625 609322296 /nfs/dbraw/zinc/32/22/96/609322296.db2.gz GSVIPXHBDZQOPX-TZMCWYRMSA-N -1 3 350.854 3.311 20 0 FGADHM CC[C@H](C)n1nc(C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000825081129 609326849 /nfs/dbraw/zinc/32/68/49/609326849.db2.gz GPQQJTIYXBZVKV-AAEUAGOBSA-N -1 3 354.414 3.261 20 0 FGADHM CC[C@H](C)n1nc(C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000825081129 609326851 /nfs/dbraw/zinc/32/68/51/609326851.db2.gz GPQQJTIYXBZVKV-AAEUAGOBSA-N -1 3 354.414 3.261 20 0 FGADHM Brc1cc(-c2nnn[n-]2)ccc1CSCc1ccccn1 ZINC000823821510 609330129 /nfs/dbraw/zinc/33/01/29/609330129.db2.gz VPPPPDMHJORWCC-UHFFFAOYSA-N -1 3 362.256 3.458 20 0 FGADHM Brc1cc(-c2nn[n-]n2)ccc1CSCc1ccccn1 ZINC000823821510 609330131 /nfs/dbraw/zinc/33/01/31/609330131.db2.gz VPPPPDMHJORWCC-UHFFFAOYSA-N -1 3 362.256 3.458 20 0 FGADHM C[C@H](NC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1)c1ccc[nH]1 ZINC000824522452 609332061 /nfs/dbraw/zinc/33/20/61/609332061.db2.gz SWDVNMDQELDFLH-ZDUSSCGKSA-N -1 3 374.404 3.478 20 0 FGADHM C[C@H](NC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1)c1ccc[nH]1 ZINC000824522452 609332063 /nfs/dbraw/zinc/33/20/63/609332063.db2.gz SWDVNMDQELDFLH-ZDUSSCGKSA-N -1 3 374.404 3.478 20 0 FGADHM CCCOc1ccc(CN[C@H](C)c2ccc(-c3nn[n-]n3)cc2F)cn1 ZINC000825339309 609334746 /nfs/dbraw/zinc/33/47/46/609334746.db2.gz WDPWPVHBZOETNW-GFCCVEGCSA-N -1 3 356.405 3.040 20 0 FGADHM C[C@@H]1CC[C@@H](C(=O)OCc2ccc(-c3nnn[n-]3)cc2Br)C1 ZINC000824908793 609349267 /nfs/dbraw/zinc/34/92/67/609349267.db2.gz QOFYNRBIUMMINZ-MWLCHTKSSA-N -1 3 365.231 3.109 20 0 FGADHM C[C@@H]1CC[C@@H](C(=O)OCc2ccc(-c3nn[n-]n3)cc2Br)C1 ZINC000824908793 609349269 /nfs/dbraw/zinc/34/92/69/609349269.db2.gz QOFYNRBIUMMINZ-MWLCHTKSSA-N -1 3 365.231 3.109 20 0 FGADHM O=C(OCc1ccno1)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826467090 609352724 /nfs/dbraw/zinc/35/27/24/609352724.db2.gz GYHQTGGAGLIGSZ-UHFFFAOYSA-N -1 3 363.333 3.004 20 0 FGADHM O=C(OCc1ccno1)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826467090 609352727 /nfs/dbraw/zinc/35/27/27/609352727.db2.gz GYHQTGGAGLIGSZ-UHFFFAOYSA-N -1 3 363.333 3.004 20 0 FGADHM COc1ccccc1N(C)Cc1ccc(-c2nnn[n-]2)cc1Br ZINC000826220052 609360203 /nfs/dbraw/zinc/36/02/03/609360203.db2.gz APOOHHHLJVCHCX-UHFFFAOYSA-N -1 3 374.242 3.274 20 0 FGADHM COc1ccccc1N(C)Cc1ccc(-c2nn[n-]n2)cc1Br ZINC000826220052 609360205 /nfs/dbraw/zinc/36/02/05/609360205.db2.gz APOOHHHLJVCHCX-UHFFFAOYSA-N -1 3 374.242 3.274 20 0 FGADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)[C@@H]1CCC(C)(C)C1 ZINC000826167770 609374289 /nfs/dbraw/zinc/37/42/89/609374289.db2.gz QMJRUMNJRVZBMQ-SECBINFHSA-N -1 3 350.806 3.260 20 0 FGADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)[C@@H]1CCC(C)(C)C1 ZINC000826167770 609374290 /nfs/dbraw/zinc/37/42/90/609374290.db2.gz QMJRUMNJRVZBMQ-SECBINFHSA-N -1 3 350.806 3.260 20 0 FGADHM CC[C@@H]1C[C@H](CC(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)CCO1 ZINC000825181113 609394587 /nfs/dbraw/zinc/39/45/87/609394587.db2.gz CBSGZNYJHLJLIH-UKRRQHHQSA-N -1 3 373.457 3.188 20 0 FGADHM CC[C@@H]1C[C@H](CC(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)CCO1 ZINC000825181113 609394589 /nfs/dbraw/zinc/39/45/89/609394589.db2.gz CBSGZNYJHLJLIH-UKRRQHHQSA-N -1 3 373.457 3.188 20 0 FGADHM COc1ccc2c(c1)C[C@H](C)N(C(=O)c1cccc(-c3nnn[n-]3)c1)[C@H]2C ZINC000826212521 609408526 /nfs/dbraw/zinc/40/85/26/609408526.db2.gz TYIVNKLLBKZXPV-STQMWFEESA-N -1 3 363.421 3.023 20 0 FGADHM COc1ccc2c(c1)C[C@H](C)N(C(=O)c1cccc(-c3nn[n-]n3)c1)[C@H]2C ZINC000826212521 609408528 /nfs/dbraw/zinc/40/85/28/609408528.db2.gz TYIVNKLLBKZXPV-STQMWFEESA-N -1 3 363.421 3.023 20 0 FGADHM Fc1ccc(-c2nnc(SCc3cccc(-c4nnn[n-]4)c3)o2)cc1 ZINC000826372749 609414763 /nfs/dbraw/zinc/41/47/63/609414763.db2.gz KHBBIXHJYNUIOK-UHFFFAOYSA-N -1 3 354.370 3.348 20 0 FGADHM Fc1ccc(-c2nnc(SCc3cccc(-c4nn[n-]n4)c3)o2)cc1 ZINC000826372749 609414767 /nfs/dbraw/zinc/41/47/67/609414767.db2.gz KHBBIXHJYNUIOK-UHFFFAOYSA-N -1 3 354.370 3.348 20 0 FGADHM Cc1ccc2[nH]c3c(c2c1)C[C@@H](Nc1nnc(C)c(C)c1-c1nnn[n-]1)CC3 ZINC000826293553 609434858 /nfs/dbraw/zinc/43/48/58/609434858.db2.gz TVRXAFFVQKDBHZ-ZDUSSCGKSA-N -1 3 374.452 3.033 20 0 FGADHM Cc1ccc2[nH]c3c(c2c1)C[C@@H](Nc1nnc(C)c(C)c1-c1nn[n-]n1)CC3 ZINC000826293553 609434860 /nfs/dbraw/zinc/43/48/60/609434860.db2.gz TVRXAFFVQKDBHZ-ZDUSSCGKSA-N -1 3 374.452 3.033 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NCc1ccn(-c2ccccc2)n1 ZINC000825632551 609437172 /nfs/dbraw/zinc/43/71/72/609437172.db2.gz WNKSPKIEDKUDFS-UHFFFAOYSA-N -1 3 361.409 3.063 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NCc1ccn(-c2ccccc2)n1 ZINC000825632551 609437175 /nfs/dbraw/zinc/43/71/75/609437175.db2.gz WNKSPKIEDKUDFS-UHFFFAOYSA-N -1 3 361.409 3.063 20 0 FGADHM CSCCCCCCNC(=S)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826228769 609444449 /nfs/dbraw/zinc/44/44/49/609444449.db2.gz ZODWWHYVLJLCPG-UHFFFAOYSA-N -1 3 368.507 3.216 20 0 FGADHM CSCCCCCCNC(=S)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826228769 609444451 /nfs/dbraw/zinc/44/44/51/609444451.db2.gz ZODWWHYVLJLCPG-UHFFFAOYSA-N -1 3 368.507 3.216 20 0 FGADHM Fc1ccccc1CNc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000826378487 609444901 /nfs/dbraw/zinc/44/49/01/609444901.db2.gz MODREPIGJOOXJN-UHFFFAOYSA-N -1 3 369.791 3.457 20 0 FGADHM CC(C)N(C)C(=O)[C@H](C)Sc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000824755901 609452163 /nfs/dbraw/zinc/45/21/63/609452163.db2.gz MTVOUDCWCAGQDQ-VIFPVBQESA-N -1 3 373.404 3.233 20 0 FGADHM CC(C)N(C)C(=O)[C@H](C)Sc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000824755901 609452165 /nfs/dbraw/zinc/45/21/65/609452165.db2.gz MTVOUDCWCAGQDQ-VIFPVBQESA-N -1 3 373.404 3.233 20 0 FGADHM C[C@@H](OCCCNc1nc2ccccn2c1-c1nnn[n-]1)c1ccccc1 ZINC000824727569 609456726 /nfs/dbraw/zinc/45/67/26/609456726.db2.gz BMUPHUIREKSAIH-CQSZACIVSA-N -1 3 363.425 3.094 20 0 FGADHM C[C@@H](OCCCNc1nc2ccccn2c1-c1nn[n-]n1)c1ccccc1 ZINC000824727569 609456727 /nfs/dbraw/zinc/45/67/27/609456727.db2.gz BMUPHUIREKSAIH-CQSZACIVSA-N -1 3 363.425 3.094 20 0 FGADHM CC(C)[C@@H](CNc1nc2ccccn2c1-c1nnn[n-]1)Nc1ccccc1 ZINC000824192883 609458857 /nfs/dbraw/zinc/45/88/57/609458857.db2.gz OBBRFAOPPVEJJI-OAHLLOKOSA-N -1 3 362.441 3.063 20 0 FGADHM CC(C)[C@@H](CNc1nc2ccccn2c1-c1nn[n-]n1)Nc1ccccc1 ZINC000824192883 609458858 /nfs/dbraw/zinc/45/88/58/609458858.db2.gz OBBRFAOPPVEJJI-OAHLLOKOSA-N -1 3 362.441 3.063 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NCc1nc2c(s1)CCCC2 ZINC000825632296 609477288 /nfs/dbraw/zinc/47/72/88/609477288.db2.gz OGXWULWVFBIMPN-UHFFFAOYSA-N -1 3 356.455 3.213 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NCc1nc2c(s1)CCCC2 ZINC000825632296 609477291 /nfs/dbraw/zinc/47/72/91/609477291.db2.gz OGXWULWVFBIMPN-UHFFFAOYSA-N -1 3 356.455 3.213 20 0 FGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NCc1nc2c(s1)CCC2 ZINC000824323924 609478056 /nfs/dbraw/zinc/47/80/56/609478056.db2.gz DEHIHAHWRJPKMW-UHFFFAOYSA-N -1 3 356.455 3.211 20 0 FGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NCc1nc2c(s1)CCC2 ZINC000824323924 609478058 /nfs/dbraw/zinc/47/80/58/609478058.db2.gz DEHIHAHWRJPKMW-UHFFFAOYSA-N -1 3 356.455 3.211 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NCc1cc2ccccc2[nH]c1=O ZINC000825632589 609478290 /nfs/dbraw/zinc/47/82/90/609478290.db2.gz XKZMMGIPENMWQA-UHFFFAOYSA-N -1 3 362.393 3.131 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NCc1cc2ccccc2[nH]c1=O ZINC000825632589 609478291 /nfs/dbraw/zinc/47/82/91/609478291.db2.gz XKZMMGIPENMWQA-UHFFFAOYSA-N -1 3 362.393 3.131 20 0 FGADHM COc1cc(CNc2cc(-c3nnn[n-]3)ccc2OC(C)C)cc(OC)c1 ZINC000826179304 609478622 /nfs/dbraw/zinc/47/86/22/609478622.db2.gz ITAODZWDSQEVPQ-UHFFFAOYSA-N -1 3 369.425 3.283 20 0 FGADHM COc1cc(CNc2cc(-c3nn[n-]n3)ccc2OC(C)C)cc(OC)c1 ZINC000826179304 609478623 /nfs/dbraw/zinc/47/86/23/609478623.db2.gz ITAODZWDSQEVPQ-UHFFFAOYSA-N -1 3 369.425 3.283 20 0 FGADHM CCN(C(=O)c1c(C)noc1C1CC1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825375994 609509457 /nfs/dbraw/zinc/50/94/57/609509457.db2.gz BMUMFYGKVDUISQ-UHFFFAOYSA-N -1 3 372.816 3.361 20 0 FGADHM CCN(C(=O)c1c(C)noc1C1CC1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825375994 609509459 /nfs/dbraw/zinc/50/94/59/609509459.db2.gz BMUMFYGKVDUISQ-UHFFFAOYSA-N -1 3 372.816 3.361 20 0 FGADHM Cc1c(Cl)cnc(N2CC=C(c3ccc(O)cc3)CC2)c1-c1nnn[n-]1 ZINC000826236880 609524254 /nfs/dbraw/zinc/52/42/54/609524254.db2.gz FSOPSXZKJSMOAB-UHFFFAOYSA-N -1 3 368.828 3.223 20 0 FGADHM Cc1c(Cl)cnc(N2CC=C(c3ccc(O)cc3)CC2)c1-c1nn[n-]n1 ZINC000826236880 609524256 /nfs/dbraw/zinc/52/42/56/609524256.db2.gz FSOPSXZKJSMOAB-UHFFFAOYSA-N -1 3 368.828 3.223 20 0 FGADHM CCC[C@H]1C[C@@H](C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(C)C)CCO1 ZINC000825255164 609531716 /nfs/dbraw/zinc/53/17/16/609531716.db2.gz VZPLINNMAPVTRT-GJZGRUSLSA-N -1 3 373.457 3.188 20 0 FGADHM CCC[C@H]1C[C@@H](C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(C)C)CCO1 ZINC000825255164 609531718 /nfs/dbraw/zinc/53/17/18/609531718.db2.gz VZPLINNMAPVTRT-GJZGRUSLSA-N -1 3 373.457 3.188 20 0 FGADHM Cc1ccc(C)n1C1CCN(c2ncc(Cl)c(C)c2-c2nnn[n-]2)CC1 ZINC000826237983 609542172 /nfs/dbraw/zinc/54/21/72/609542172.db2.gz SBWWCJHYABSMEP-UHFFFAOYSA-N -1 3 371.876 3.483 20 0 FGADHM Cc1ccc(C)n1C1CCN(c2ncc(Cl)c(C)c2-c2nn[n-]n2)CC1 ZINC000826237983 609542173 /nfs/dbraw/zinc/54/21/73/609542173.db2.gz SBWWCJHYABSMEP-UHFFFAOYSA-N -1 3 371.876 3.483 20 0 FGADHM CCCN(C[C@@H]1CCCCO1)c1ncc(Cl)c(C)c1-c1nnn[n-]1 ZINC000825313666 609549269 /nfs/dbraw/zinc/54/92/69/609549269.db2.gz NPBLEQVEQGGNJQ-LBPRGKRZSA-N -1 3 350.854 3.009 20 0 FGADHM CCCN(C[C@@H]1CCCCO1)c1ncc(Cl)c(C)c1-c1nn[n-]n1 ZINC000825313666 609549272 /nfs/dbraw/zinc/54/92/72/609549272.db2.gz NPBLEQVEQGGNJQ-LBPRGKRZSA-N -1 3 350.854 3.009 20 0 FGADHM Cc1cc(Nc2ncccc2-c2nnn[n-]2)cnc1N1CCCC[C@H]1C ZINC000826271480 609563423 /nfs/dbraw/zinc/56/34/23/609563423.db2.gz SWRNZBAECHRWQD-CYBMUJFWSA-N -1 3 350.430 3.088 20 0 FGADHM Cc1cc(Nc2ncccc2-c2nn[n-]n2)cnc1N1CCCC[C@H]1C ZINC000826271480 609563424 /nfs/dbraw/zinc/56/34/24/609563424.db2.gz SWRNZBAECHRWQD-CYBMUJFWSA-N -1 3 350.430 3.088 20 0 FGADHM Cc1ccc([C@H]2OCCC[C@H]2CNc2nccc(C)c2-c2nnn[n-]2)cc1 ZINC000826285566 609563863 /nfs/dbraw/zinc/56/38/63/609563863.db2.gz CWXBDJOYBKSBFW-FUHWJXTLSA-N -1 3 364.453 3.458 20 0 FGADHM Cc1ccc([C@H]2OCCC[C@H]2CNc2nccc(C)c2-c2nn[n-]n2)cc1 ZINC000826285566 609563865 /nfs/dbraw/zinc/56/38/65/609563865.db2.gz CWXBDJOYBKSBFW-FUHWJXTLSA-N -1 3 364.453 3.458 20 0 FGADHM Cc1cc(Nc2ccc(-c3nnn[n-]3)cn2)cnc1N1CCCC[C@@H]1C ZINC000826271419 609563873 /nfs/dbraw/zinc/56/38/73/609563873.db2.gz QJXWNSLHXZUNIM-ZDUSSCGKSA-N -1 3 350.430 3.088 20 0 FGADHM Cc1cc(Nc2ccc(-c3nn[n-]n3)cn2)cnc1N1CCCC[C@@H]1C ZINC000826271419 609563875 /nfs/dbraw/zinc/56/38/75/609563875.db2.gz QJXWNSLHXZUNIM-ZDUSSCGKSA-N -1 3 350.430 3.088 20 0 FGADHM Cc1c(Cl)cnc(NC[C@@H](C[C@H](C)O)c2ccccc2)c1-c1nnn[n-]1 ZINC000826239352 609575505 /nfs/dbraw/zinc/57/55/05/609575505.db2.gz DWBLYLJWSWYEBB-SMDDNHRTSA-N -1 3 372.860 3.190 20 0 FGADHM Cc1c(Cl)cnc(NC[C@@H](C[C@H](C)O)c2ccccc2)c1-c1nn[n-]n1 ZINC000826239352 609575507 /nfs/dbraw/zinc/57/55/07/609575507.db2.gz DWBLYLJWSWYEBB-SMDDNHRTSA-N -1 3 372.860 3.190 20 0 FGADHM Cc1c(Cl)cnc(N2C[C@@H](C(F)(F)F)CC[C@@H]2C)c1-c1nnn[n-]1 ZINC000826237269 609585811 /nfs/dbraw/zinc/58/58/11/609585811.db2.gz ULJHJIPHWOKZLQ-CBAPKCEASA-N -1 3 360.771 3.391 20 0 FGADHM Cc1c(Cl)cnc(N2C[C@@H](C(F)(F)F)CC[C@@H]2C)c1-c1nn[n-]n1 ZINC000826237269 609585813 /nfs/dbraw/zinc/58/58/13/609585813.db2.gz ULJHJIPHWOKZLQ-CBAPKCEASA-N -1 3 360.771 3.391 20 0 FGADHM CN(C(=O)c1ccc([C@H]2CCCOC2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825829237 609588648 /nfs/dbraw/zinc/58/86/48/609588648.db2.gz ALKDLYUFYATZJH-KRWDZBQOSA-N -1 3 363.421 3.037 20 0 FGADHM CN(C(=O)c1ccc([C@H]2CCCOC2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825829237 609588649 /nfs/dbraw/zinc/58/86/49/609588649.db2.gz ALKDLYUFYATZJH-KRWDZBQOSA-N -1 3 363.421 3.037 20 0 FGADHM O=C(OCc1ccc(Cl)cc1-c1nnn[n-]1)C1CCC(F)(F)CC1 ZINC000826465533 609613970 /nfs/dbraw/zinc/61/39/70/609613970.db2.gz QVHZQZQFPUXKKN-UHFFFAOYSA-N -1 3 356.760 3.389 20 0 FGADHM O=C(OCc1ccc(Cl)cc1-c1nn[n-]n1)C1CCC(F)(F)CC1 ZINC000826465533 609613971 /nfs/dbraw/zinc/61/39/71/609613971.db2.gz QVHZQZQFPUXKKN-UHFFFAOYSA-N -1 3 356.760 3.389 20 0 FGADHM Cc1ncc(C=CC(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)s1 ZINC000826329849 609617270 /nfs/dbraw/zinc/61/72/70/609617270.db2.gz VFQKNLJUNNVVFY-PLNGDYQASA-N -1 3 361.814 3.042 20 0 FGADHM Cc1ncc(C=CC(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)s1 ZINC000826329849 609617271 /nfs/dbraw/zinc/61/72/71/609617271.db2.gz VFQKNLJUNNVVFY-PLNGDYQASA-N -1 3 361.814 3.042 20 0 FGADHM CCC(CC)n1nccc1C(=O)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000825114920 609617305 /nfs/dbraw/zinc/61/73/05/609617305.db2.gz RPDGWNXSQDFZPO-UHFFFAOYSA-N -1 3 374.832 3.435 20 0 FGADHM CCC(CC)n1nccc1C(=O)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000825114920 609617306 /nfs/dbraw/zinc/61/73/06/609617306.db2.gz RPDGWNXSQDFZPO-UHFFFAOYSA-N -1 3 374.832 3.435 20 0 FGADHM COc1ccccc1CCCOC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000826219818 609621616 /nfs/dbraw/zinc/62/16/16/609621616.db2.gz RMURHSVQJMRLQG-OUKQBFOZSA-N -1 3 364.405 3.065 20 0 FGADHM COc1ccccc1CCCOC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000826219818 609621618 /nfs/dbraw/zinc/62/16/18/609621618.db2.gz RMURHSVQJMRLQG-OUKQBFOZSA-N -1 3 364.405 3.065 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)C(F)(F)c1ccc(C)cc1 ZINC000826184322 609625810 /nfs/dbraw/zinc/62/58/10/609625810.db2.gz SQYZJORXZSXCKJ-UHFFFAOYSA-N -1 3 374.347 3.019 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)C(F)(F)c1ccc(C)cc1 ZINC000826184322 609625812 /nfs/dbraw/zinc/62/58/12/609625812.db2.gz SQYZJORXZSXCKJ-UHFFFAOYSA-N -1 3 374.347 3.019 20 0 FGADHM CC[C@@H](OC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)cc1 ZINC000825154148 609634741 /nfs/dbraw/zinc/63/47/41/609634741.db2.gz LYTKGXQLSJVHCE-HZPDHXFCSA-N -1 3 372.812 3.248 20 0 FGADHM CC[C@@H](OC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)cc1 ZINC000825154148 609634742 /nfs/dbraw/zinc/63/47/42/609634742.db2.gz LYTKGXQLSJVHCE-HZPDHXFCSA-N -1 3 372.812 3.248 20 0 FGADHM CC[C@H](C)[C@@H](C)C(=O)OCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000825059983 609642268 /nfs/dbraw/zinc/64/22/68/609642268.db2.gz MWMQFIACZJUJTF-VHSXEESVSA-N -1 3 354.357 3.194 20 0 FGADHM CC[C@H](C)[C@@H](C)C(=O)OCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000825059983 609642269 /nfs/dbraw/zinc/64/22/69/609642269.db2.gz MWMQFIACZJUJTF-VHSXEESVSA-N -1 3 354.357 3.194 20 0 FGADHM CC[C@@H](C)[C@H](C)C(=O)OCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000825059984 609642392 /nfs/dbraw/zinc/64/23/92/609642392.db2.gz MWMQFIACZJUJTF-ZJUUUORDSA-N -1 3 354.357 3.194 20 0 FGADHM CC[C@@H](C)[C@H](C)C(=O)OCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000825059984 609642393 /nfs/dbraw/zinc/64/23/93/609642393.db2.gz MWMQFIACZJUJTF-ZJUUUORDSA-N -1 3 354.357 3.194 20 0 FGADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3ccc(CO)cc3)nc(=O)c2c1C ZINC000006082273 695554385 /nfs/dbraw/zinc/55/43/85/695554385.db2.gz WXTIKOCYGHUMAE-SNVBAGLBSA-N -1 3 358.419 3.012 20 0 FGADHM Cc1cc(Cl)ccc1OCCCC(=O)N[N-]C(=O)c1ccccc1F ZINC000006903887 695560573 /nfs/dbraw/zinc/56/05/73/695560573.db2.gz CZQBAOMJVVTETH-UHFFFAOYSA-N -1 3 364.804 3.408 20 0 FGADHM CC(=O)Nc1ccc(NC=C2C(=O)[N-]C(=O)c3ccccc32)cc1Cl ZINC000011080948 695596494 /nfs/dbraw/zinc/59/64/94/695596494.db2.gz UQPMCKHGPMRMRQ-NTEUORMPSA-N -1 3 355.781 3.021 20 0 FGADHM Cc1ccc(CNC(=O)COC(=O)c2cc(Cl)c(Cl)[n-]2)cc1F ZINC000011810859 695602846 /nfs/dbraw/zinc/60/28/46/695602846.db2.gz JUUPXZWBFZFUIY-UHFFFAOYSA-N -1 3 359.184 3.242 20 0 FGADHM CC(C)(C)c1cc(NC(=O)COC(=O)c2cc(Cl)c(Cl)[n-]2)on1 ZINC000011810298 695602928 /nfs/dbraw/zinc/60/29/28/695602928.db2.gz SYBOOUBMVSRTGJ-UHFFFAOYSA-N -1 3 360.197 3.403 20 0 FGADHM O=C1NC2(CCCCC2)C(=O)N1CCC/N=C/c1cc(Cl)ccc1[O-] ZINC000027070044 695690593 /nfs/dbraw/zinc/69/05/93/695690593.db2.gz PGVFHZPRQYGNOW-UDWIEESQSA-N -1 3 363.845 3.109 20 0 FGADHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]CC1CCC1 ZINC000030360311 695721441 /nfs/dbraw/zinc/72/14/41/695721441.db2.gz JNFZQBPJCRZEOF-UHFFFAOYSA-N -1 3 368.680 3.190 20 0 FGADHM O=S(=O)([N-][C@H]1CCCN(Cc2ccccc2)C1)c1ccc(Cl)s1 ZINC000030361905 695721918 /nfs/dbraw/zinc/72/19/18/695721918.db2.gz JUQSJWSYAYPHPO-AWEZNQCLSA-N -1 3 370.927 3.344 20 0 FGADHM COCCOc1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000032631087 695747022 /nfs/dbraw/zinc/74/70/22/695747022.db2.gz FPNGCGJAAJEGEO-UHFFFAOYSA-N -1 3 359.806 3.305 20 0 FGADHM O=C(OCc1ccccc1Cl)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000046333577 695837623 /nfs/dbraw/zinc/83/76/23/695837623.db2.gz DLEARLLQLBOKBX-INIZCTEOSA-N -1 3 359.809 3.394 20 0 FGADHM O=C(NCCC1CCCCC1)N[N-]C(=O)c1ccccc1Br ZINC000046903457 695848058 /nfs/dbraw/zinc/84/80/58/695848058.db2.gz OJKIQPQNBUJPMB-UHFFFAOYSA-N -1 3 368.275 3.364 20 0 FGADHM Cc1sc2[n-]c([C@@H](C)OC(=O)CC[C@@H]3CCCO3)nc(=O)c2c1C ZINC000047802979 695868496 /nfs/dbraw/zinc/86/84/96/695868496.db2.gz WDUSBDFUMHCULE-PWSUYJOCSA-N -1 3 350.440 3.165 20 0 FGADHM C[C@H]1C[C@H]1C[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000049239500 695893163 /nfs/dbraw/zinc/89/31/63/695893163.db2.gz UIXHENUEHXLMQD-YUMQZZPRSA-N -1 3 372.206 3.402 20 0 FGADHM Cn1cc(C(=O)[N-]c2nnc(Cc3ccccc3)s2)c(C(F)(F)F)n1 ZINC000052938970 695926116 /nfs/dbraw/zinc/92/61/16/695926116.db2.gz XAVIYDXCDHDYLP-UHFFFAOYSA-N -1 3 367.356 3.134 20 0 FGADHM Cc1cc(S(=O)(=O)[N-][C@H](C)Cc2ccco2)sc1Br ZINC000123911209 700712089 /nfs/dbraw/zinc/71/20/89/700712089.db2.gz ZACXTRJEWKBWHS-SECBINFHSA-N -1 3 364.286 3.322 20 0 FGADHM O=C(CSc1nc2ccccc2s1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000070731057 695954920 /nfs/dbraw/zinc/95/49/20/695954920.db2.gz PVEBBLPLHKAGSJ-UHFFFAOYSA-N -1 3 368.447 3.207 20 0 FGADHM O=C(CSc1nc2ccccc2s1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000070731057 695954921 /nfs/dbraw/zinc/95/49/21/695954921.db2.gz PVEBBLPLHKAGSJ-UHFFFAOYSA-N -1 3 368.447 3.207 20 0 FGADHM O=C([N-]c1nnc(-c2ccccc2)s1)c1ccc(Cn2cccn2)o1 ZINC000073869205 695974187 /nfs/dbraw/zinc/97/41/87/695974187.db2.gz IYITVWLOVIRCBD-UHFFFAOYSA-N -1 3 351.391 3.295 20 0 FGADHM CC[C@H](C)C[C@@H](C)NC(=O)N[N-]C(=O)c1ccccc1Br ZINC000074787509 700199548 /nfs/dbraw/zinc/19/95/48/700199548.db2.gz TVYWHYFBBXVOCO-WDEREUQCSA-N -1 3 356.264 3.218 20 0 FGADHM CC(C)(C)C(=O)NCCCC(=O)Nc1ccc(Br)cc1[O-] ZINC000075664639 700216554 /nfs/dbraw/zinc/21/65/54/700216554.db2.gz GXAOIVODHIGHSZ-UHFFFAOYSA-N -1 3 357.248 3.036 20 0 FGADHM O=C([N-]c1nnc(C2CC2)s1)c1cc(Br)cnc1Cl ZINC000101634191 700469566 /nfs/dbraw/zinc/46/95/66/700469566.db2.gz FYHJSZJKMPSPSY-UHFFFAOYSA-N -1 3 359.636 3.479 20 0 FGADHM O=S(=O)([N-]Cc1ccc(Cl)nc1)c1ccc(F)cc1C(F)(F)F ZINC000103155912 700482120 /nfs/dbraw/zinc/48/21/20/700482120.db2.gz LYLALYXWUPLNCG-UHFFFAOYSA-N -1 3 368.739 3.371 20 0 FGADHM Cc1c(Br)cccc1NC(=O)c1nnc2ccccc2c1[O-] ZINC000111596464 700549082 /nfs/dbraw/zinc/54/90/82/700549082.db2.gz WAUAIOUDLWMXOK-UHFFFAOYSA-N -1 3 358.195 3.246 20 0 FGADHM COC(=O)N(C)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)cc1 ZINC000117230283 700601713 /nfs/dbraw/zinc/60/17/13/700601713.db2.gz XZWQJRFWUIFNGK-UHFFFAOYSA-N -1 3 366.414 3.133 20 0 FGADHM CN(C)CCN(Cc1ccccc1)C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000118882218 700615826 /nfs/dbraw/zinc/61/58/26/700615826.db2.gz GBNNEDOXCFVPOW-UHFFFAOYSA-N -1 3 355.463 3.321 20 0 FGADHM COc1ccc(CC(=O)[N-]OCc2nc(C(C)(C)C)cs2)cc1OC ZINC000120974942 700663124 /nfs/dbraw/zinc/66/31/24/700663124.db2.gz NYOOMZPNJNVUPQ-UHFFFAOYSA-N -1 3 364.467 3.248 20 0 FGADHM CC(C)(C)[C@@H](OC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)C(F)(F)F ZINC000132357216 700826788 /nfs/dbraw/zinc/82/67/88/700826788.db2.gz JWXPZERNKNOZRS-GFCCVEGCSA-N -1 3 371.352 3.331 20 0 FGADHM C[C@H](OC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)c1cc(F)cc(F)c1 ZINC000133172360 700835664 /nfs/dbraw/zinc/83/56/64/700835664.db2.gz XHJFTNZJPHSCPT-VIFPVBQESA-N -1 3 373.352 3.393 20 0 FGADHM CCCn1cc(NC(=O)NCc2ccc([O-])c(Br)c2)cn1 ZINC000134007085 704810155 /nfs/dbraw/zinc/81/01/55/704810155.db2.gz JYPYHECFZJHUEW-UHFFFAOYSA-N -1 3 353.220 3.083 20 0 FGADHM Cc1cscc1NC(=O)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F ZINC000151177655 704914941 /nfs/dbraw/zinc/91/49/41/704914941.db2.gz UYKLSGXRGJZLME-UHFFFAOYSA-N -1 3 372.418 3.028 20 0 FGADHM O=C(Cc1ccc2c(c1)OCO2)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000152144399 704951328 /nfs/dbraw/zinc/95/13/28/704951328.db2.gz YUUFYAATUCHEAI-UHFFFAOYSA-N -1 3 353.296 3.225 20 0 FGADHM O=C(Nc1ccc(Cl)cc1[O-])[C@@H]1CCCN(C(=O)NC2CCCC2)C1 ZINC000153512701 705002338 /nfs/dbraw/zinc/00/23/38/705002338.db2.gz QCEKUWSTQJUDEX-GFCCVEGCSA-N -1 3 365.861 3.348 20 0 FGADHM O=C(C[C@H]1CN(Cc2ccccc2)CCO1)Nc1ccc(Cl)cc1[O-] ZINC000153710016 705009500 /nfs/dbraw/zinc/00/95/00/705009500.db2.gz ZZPRKJQMRZUTJT-INIZCTEOSA-N -1 3 360.841 3.275 20 0 FGADHM O=S(=O)([N-]C[C@H](O)c1ccc(F)cc1)c1cc(Cl)ccc1Cl ZINC000159065409 705209328 /nfs/dbraw/zinc/20/93/28/705209328.db2.gz OXTFRQDREHQBTF-ZDUSSCGKSA-N -1 3 364.225 3.144 20 0 FGADHM O=S(=O)([N-]CC1([C@H](O)c2ccccc2)CC1)c1cccc(Cl)c1F ZINC000159238611 705215943 /nfs/dbraw/zinc/21/59/43/705215943.db2.gz HLEBSUFIFGSQEH-MRXNPFEDSA-N -1 3 369.845 3.271 20 0 FGADHM CCCCn1ncc(C(=O)N[N-]C(=O)c2ccc(Cl)cc2Cl)c1C ZINC000161239311 705271069 /nfs/dbraw/zinc/27/10/69/705271069.db2.gz QECCIFVVOJSZLD-UHFFFAOYSA-N -1 3 369.252 3.373 20 0 FGADHM C[C@H]([N-]C(=O)C(F)(F)C1(O)CCC1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000162431718 705295918 /nfs/dbraw/zinc/29/59/18/705295918.db2.gz CPKASNBMQFLLLL-VIFPVBQESA-N -1 3 371.771 3.118 20 0 FGADHM C[C@H](Cc1cccs1)[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000170660497 705355804 /nfs/dbraw/zinc/35/58/04/705355804.db2.gz RHBMYFKXRLUHNY-MRVPVSSYSA-N -1 3 351.280 3.359 20 0 FGADHM C/C(=C\C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O)C1CC1 ZINC000170900096 705365074 /nfs/dbraw/zinc/36/50/74/705365074.db2.gz WEGOBCVLPPALDQ-VQHVLOKHSA-N -1 3 362.373 3.372 20 0 FGADHM COC(=O)c1ccc([N-]S(=O)(=O)C2=Cc3ccccc3CC2)c(F)c1 ZINC000171940198 705402082 /nfs/dbraw/zinc/40/20/82/705402082.db2.gz GFDMPYYQMJNCDK-UHFFFAOYSA-N -1 3 361.394 3.341 20 0 FGADHM CS[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)C1 ZINC000172265184 705412442 /nfs/dbraw/zinc/41/24/42/705412442.db2.gz MNFXUFNHXRXHEB-DTWKUNHWSA-N -1 3 355.312 3.341 20 0 FGADHM O=C(NCCSC(F)(F)F)NCc1ccc([O-])c(Br)c1 ZINC000178560178 705669217 /nfs/dbraw/zinc/66/92/17/705669217.db2.gz ZENUWMUORVCKRZ-UHFFFAOYSA-N -1 3 373.194 3.207 20 0 FGADHM CC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)nc1Cl)c1c(C)noc1C ZINC000179316416 705697213 /nfs/dbraw/zinc/69/72/13/705697213.db2.gz BVAZSEQWTKSEEO-SECBINFHSA-N -1 3 364.254 3.423 20 0 FGADHM CC[C@@H](CSC)NC(=O)N[N-]C(=O)c1ccc(Cl)cc1Cl ZINC000179978381 705723086 /nfs/dbraw/zinc/72/30/86/705723086.db2.gz OPELOTYADYETKB-VIFPVBQESA-N -1 3 350.271 3.079 20 0 FGADHM O=C(NN=c1cncc(Cl)[n-]1)N[C@@H]1CCCOc2cc(Cl)ccc21 ZINC000181019291 705767245 /nfs/dbraw/zinc/76/72/45/705767245.db2.gz ZHMZTUVYHDAKNP-LLVKDONJSA-N -1 3 368.224 3.323 20 0 FGADHM O=C(NN=c1cncc(Cl)[n-]1)N[C@H]1CCCOc2c(Cl)cccc21 ZINC000181075071 705770101 /nfs/dbraw/zinc/77/01/01/705770101.db2.gz SLBJVTSHECOUNU-NSHDSACASA-N -1 3 368.224 3.323 20 0 FGADHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H](C)c3ccccc32)c(C)o1 ZINC000183206189 705882043 /nfs/dbraw/zinc/88/20/43/705882043.db2.gz DLHSRTPGVMFTMY-LBPRGKRZSA-N -1 3 362.451 3.040 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)CC[C@H]1CCCCO1)c1nc(C2CCCCC2)no1 ZINC000641363180 717892786 /nfs/dbraw/zinc/89/27/86/717892786.db2.gz PHQMFHBGCHPCJP-UKRRQHHQSA-N -1 3 371.503 3.057 20 0 FGADHM CCS[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000225361287 713572086 /nfs/dbraw/zinc/57/20/86/713572086.db2.gz YDDGPRSEEKWICW-GHMZBOCLSA-N -1 3 355.312 3.341 20 0 FGADHM CN(Cc1cc(Br)ccc1F)C(=O)c1cccc(O)c1[O-] ZINC000187053248 712731799 /nfs/dbraw/zinc/73/17/99/712731799.db2.gz LAZKUUWHXQYHJP-UHFFFAOYSA-N -1 3 354.175 3.272 20 0 FGADHM O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)[N-]OC[C@@H]1CCOC1 ZINC000188021340 712759285 /nfs/dbraw/zinc/75/92/85/712759285.db2.gz DMBLZVXQDITSPP-GFCCVEGCSA-N -1 3 350.802 3.012 20 0 FGADHM Cc1cc(I)ccc1NC(=O)c1cccc(O)c1[O-] ZINC000188039979 712760032 /nfs/dbraw/zinc/76/00/32/712760032.db2.gz JUCTWCBVZBPLJL-UHFFFAOYSA-N -1 3 369.158 3.263 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]C[C@@](C)(O)c2ccc(F)cc2)sc1Cl ZINC000188138424 712762451 /nfs/dbraw/zinc/76/24/51/712762451.db2.gz IYPYTSDQLXSBDL-CQSZACIVSA-N -1 3 363.863 3.035 20 0 FGADHM O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3c([O-])ccc(Cl)c3F)C2)nc1 ZINC000191383664 712835397 /nfs/dbraw/zinc/83/53/97/712835397.db2.gz XCBJDSHCBRZMRF-SNVBAGLBSA-N -1 3 366.780 3.174 20 0 FGADHM 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724245264 /nfs/dbraw/zinc/24/52/64/724245264.db2.gz HAJCVZAAGPHSHK-UHFFFAOYSA-N -1 3 373.805 3.000 20 0 FGADHM O=C(O[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)c1cncc([O-])c1 ZINC000778117891 724299451 /nfs/dbraw/zinc/29/94/51/724299451.db2.gz ILPVRSRCQSMSDM-AWEZNQCLSA-N -1 3 367.188 3.056 20 0 FGADHM O=C([N-]OC1CCOCC1)C1(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000784526168 724860584 /nfs/dbraw/zinc/86/05/84/724860584.db2.gz QMFHFNGQINODAE-UHFFFAOYSA-N -1 3 359.344 3.135 20 0 FGADHM O=C([N-]Cc1ccc(OC(F)(F)F)cc1)C(F)(F)C1(O)CCCC1 ZINC000785750650 724935578 /nfs/dbraw/zinc/93/55/78/724935578.db2.gz YWVMJRITWWHIRG-UHFFFAOYSA-N -1 3 353.287 3.142 20 0 FGADHM Cc1cnc(Cl)c([N-]S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)c1 ZINC000786880137 725005012 /nfs/dbraw/zinc/00/50/12/725005012.db2.gz LZHDWFOXYSMHHF-UHFFFAOYSA-N -1 3 365.842 3.074 20 0 FGADHM COC(=O)/C=C/c1ccc(S(=O)(=O)[N-]c2cc(C)cnc2Cl)cc1 ZINC000786888309 725006007 /nfs/dbraw/zinc/00/60/07/725006007.db2.gz WZJRTHHHUDAPAK-VMPITWQZSA-N -1 3 366.826 3.030 20 0 FGADHM C[C@@H](NC(=O)COC(=O)CCCc1ccc([O-])c(F)c1)c1cccs1 ZINC000787849943 725039530 /nfs/dbraw/zinc/03/95/30/725039530.db2.gz MUFFLILDIOGDPC-GFCCVEGCSA-N -1 3 365.426 3.336 20 0 FGADHM COC(=O)c1cc(S(=O)(=O)[N-][C@H]2CCC2(C)C)c(Cl)cc1Cl ZINC000805109534 725050207 /nfs/dbraw/zinc/05/02/07/725050207.db2.gz GGMKKLYUWYHMBX-LBPRGKRZSA-N -1 3 366.266 3.247 20 0 FGADHM O=C(NCCc1ccc2c(c1)OCCO2)c1cc2sccc2c([O-])c1 ZINC000788274280 725054354 /nfs/dbraw/zinc/05/43/54/725054354.db2.gz LJPNVGMQBUCCNL-UHFFFAOYSA-N -1 3 355.415 3.351 20 0 FGADHM CCc1n[nH]c(=O)c(CNC(=O)c2cc3sccc3c([O-])c2)c1CC ZINC000788305869 725057082 /nfs/dbraw/zinc/05/70/82/725057082.db2.gz FGTWSVMRKMYISK-UHFFFAOYSA-N -1 3 357.435 3.157 20 0 FGADHM CCOC(=O)N[C@@H]1CCCN(Cc2cc(Cl)c([O-])c(OCC)c2)C1 ZINC000788843275 725090994 /nfs/dbraw/zinc/09/09/94/725090994.db2.gz NDIHUGLYHSMDOP-CYBMUJFWSA-N -1 3 356.850 3.155 20 0 FGADHM Cc1cc(S(=O)(=O)[N-][C@H](C)[C@H](O)c2cccc(F)c2)sc1Cl ZINC000788896808 725094295 /nfs/dbraw/zinc/09/42/95/725094295.db2.gz AZPLHQNPKKNIIJ-RNCFNFMXSA-N -1 3 363.863 3.249 20 0 FGADHM Cc1ccc(-c2cc(C(=O)O[C@@H]([C@H]3CCCOC3)C(F)(F)F)n[n-]2)o1 ZINC000789640169 725140284 /nfs/dbraw/zinc/14/02/84/725140284.db2.gz WKBUDQRQOFNHOI-HZMBPMFUSA-N -1 3 358.316 3.492 20 0 FGADHM Cc1ccc(-c2cc(C(=O)O[C@@H]([C@H]3CCCOC3)C(F)(F)F)[n-]n2)o1 ZINC000789640169 725140285 /nfs/dbraw/zinc/14/02/85/725140285.db2.gz WKBUDQRQOFNHOI-HZMBPMFUSA-N -1 3 358.316 3.492 20 0 FGADHM CC(F)(F)C(=O)[N-]Cc1cc(Br)ccc1Br ZINC000808467032 725202602 /nfs/dbraw/zinc/20/26/02/725202602.db2.gz RJZXZZKOOKFKIQ-UHFFFAOYSA-N -1 3 356.992 3.483 20 0 FGADHM COC(=O)c1c(C)csc1[N-]C(=O)c1scnc1Br ZINC000809024625 725224001 /nfs/dbraw/zinc/22/40/01/725224001.db2.gz LPUKZUNWCQZAKC-UHFFFAOYSA-N -1 3 361.242 3.314 20 0 FGADHM COC(=O)c1c(C)csc1[N-]C(=O)c1nc(Br)cs1 ZINC000809025799 725224035 /nfs/dbraw/zinc/22/40/35/725224035.db2.gz IBQRYVSKJTYVLI-UHFFFAOYSA-N -1 3 361.242 3.314 20 0 FGADHM O=S(=O)([N-]Cc1cnc(Cl)s1)c1ccc(F)cc1C(F)(F)F ZINC000809849122 725273453 /nfs/dbraw/zinc/27/34/53/725273453.db2.gz KWLIYRKFOGROGD-UHFFFAOYSA-N -1 3 374.768 3.433 20 0 FGADHM C[C@H](C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1)C1CC1 ZINC000819865000 728948503 /nfs/dbraw/zinc/94/85/03/728948503.db2.gz BRGAYXSMKUEDRR-NSHDSACASA-N -1 3 353.451 3.258 20 0 FGADHM COc1nc(Br)ccc1NC(=O)c1cc([O-])ccc1Cl ZINC000811412516 725362744 /nfs/dbraw/zinc/36/27/44/725362744.db2.gz PKYMTDZVVSTYAO-UHFFFAOYSA-N -1 3 357.591 3.464 20 0 FGADHM COC(=O)CCCO[N-]C(=O)CCCc1cc(Cl)sc1Cl ZINC000811558192 725373430 /nfs/dbraw/zinc/37/34/30/725373430.db2.gz JQSOWLWDDAMWQL-UHFFFAOYSA-N -1 3 354.255 3.379 20 0 FGADHM Cc1ccc(C)c(NC(=S)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)c1 ZINC000811712289 725377754 /nfs/dbraw/zinc/37/77/54/725377754.db2.gz ODQFHXDFNIHERW-ZDUSSCGKSA-N -1 3 373.444 3.391 20 0 FGADHM CC[C@H]1CC[C@H](NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)CC1 ZINC000814345947 726957855 /nfs/dbraw/zinc/95/78/55/726957855.db2.gz 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ZINC000820098354 728966493 /nfs/dbraw/zinc/96/64/93/728966493.db2.gz DGWQIFUAUAGHCX-UHFFFAOYSA-N -1 3 354.332 3.163 20 0 FGADHM CCN(CC)C(=O)c1ccc(NC(=O)c2nc[n-]c2C(F)(F)F)cc1 ZINC000820098354 728966494 /nfs/dbraw/zinc/96/64/94/728966494.db2.gz DGWQIFUAUAGHCX-UHFFFAOYSA-N -1 3 354.332 3.163 20 0 FGADHM O=C(NC[C@@H]1CCCCC1(F)F)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC000820968770 729047370 /nfs/dbraw/zinc/04/73/70/729047370.db2.gz IPHXPWYIFBFJHU-VIFPVBQESA-N -1 3 356.319 3.362 20 0 FGADHM CCN(C(=O)c1cc(-c2nnn[n-]2)cs1)[C@@H](C)c1cccc(OC)c1 ZINC000821154256 729064219 /nfs/dbraw/zinc/06/42/19/729064219.db2.gz KYRMTJGMMYSXCO-NSHDSACASA-N -1 3 357.439 3.160 20 0 FGADHM CCN(C(=O)c1cc(-c2nn[n-]n2)cs1)[C@@H](C)c1cccc(OC)c1 ZINC000821154256 729064221 /nfs/dbraw/zinc/06/42/21/729064221.db2.gz KYRMTJGMMYSXCO-NSHDSACASA-N -1 3 357.439 3.160 20 0 FGADHM C[C@]1(CCOC(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)C[C@]1(F)Cl ZINC000822049141 729141989 /nfs/dbraw/zinc/14/19/89/729141989.db2.gz NKMYXRYBUIVFTB-UONOGXRCSA-N -1 3 367.801 3.059 20 0 FGADHM O=C(OCc1cc2c(cccc2Cl)[nH]1)c1cc(-c2nnn[n-]2)cs1 ZINC000823417763 729278592 /nfs/dbraw/zinc/27/85/92/729278592.db2.gz IDUQLSBOFSPXMW-UHFFFAOYSA-N -1 3 359.798 3.420 20 0 FGADHM O=C(OCc1cc2c(cccc2Cl)[nH]1)c1cc(-c2nn[n-]n2)cs1 ZINC000823417763 729278593 /nfs/dbraw/zinc/27/85/93/729278593.db2.gz IDUQLSBOFSPXMW-UHFFFAOYSA-N -1 3 359.798 3.420 20 0 FGADHM Cc1nc(C)c(CCC(=O)Nc2nc3ccc(Cl)nc3s2)c(=O)[n-]1 ZINC000823718982 729300953 /nfs/dbraw/zinc/30/09/53/729300953.db2.gz HHCFQPJIFHVVHW-UHFFFAOYSA-N -1 3 363.830 3.028 20 0 FGADHM CC(=O)c1ccc(-c2nnn[n-]2)c(N2CCc3c(Cl)cccc3C2)c1 ZINC000824014048 729316105 /nfs/dbraw/zinc/31/61/05/729316105.db2.gz CBBPIJMTYIHEQE-UHFFFAOYSA-N -1 3 353.813 3.285 20 0 FGADHM CC(=O)c1ccc(-c2nn[n-]n2)c(N2CCc3c(Cl)cccc3C2)c1 ZINC000824014048 729316106 /nfs/dbraw/zinc/31/61/06/729316106.db2.gz CBBPIJMTYIHEQE-UHFFFAOYSA-N -1 3 353.813 3.285 20 0 FGADHM CC(C)(C)Sc1cc(C(=O)Oc2ccc(-c3nn[n-]n3)cc2)ccn1 ZINC000824123249 729320432 /nfs/dbraw/zinc/32/04/32/729320432.db2.gz AWUFHULROXPIIC-UHFFFAOYSA-N -1 3 355.423 3.372 20 0 FGADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)C(=O)c2cc(Cl)cc(Cl)c2)n1 ZINC000824149945 729321396 /nfs/dbraw/zinc/32/13/96/729321396.db2.gz CLGZPIQYHDLMSN-UHFFFAOYSA-N -1 3 368.220 3.032 20 0 FGADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)c2cc(Cl)nc(C(F)(F)F)c2)n1 ZINC000824154257 729321677 /nfs/dbraw/zinc/32/16/77/729321677.db2.gz KWYPETPDJXAYEG-UHFFFAOYSA-N -1 3 374.750 3.223 20 0 FGADHM CC(C)OCCCCNc1ccc(-c2nn[n-]n2)cc1Br ZINC000824315049 729330374 /nfs/dbraw/zinc/33/03/74/729330374.db2.gz JONOMYBZAFWMHX-UHFFFAOYSA-N -1 3 354.252 3.246 20 0 FGADHM C[C@@H](CNc1nc2ccccn2c1-c1nnn[n-]1)Sc1ccccc1 ZINC000824436191 729338184 /nfs/dbraw/zinc/33/81/84/729338184.db2.gz QFWBATSGMAFOMC-LBPRGKRZSA-N -1 3 351.439 3.107 20 0 FGADHM C[C@@H](CNc1nc2ccccn2c1-c1nn[n-]n1)Sc1ccccc1 ZINC000824436191 729338186 /nfs/dbraw/zinc/33/81/86/729338186.db2.gz QFWBATSGMAFOMC-LBPRGKRZSA-N -1 3 351.439 3.107 20 0 FGADHM C[C@H](OC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1ccccc1C(F)(F)F ZINC000824722068 729356585 /nfs/dbraw/zinc/35/65/85/729356585.db2.gz GBGUABVRQSQMRI-QMMMGPOBSA-N -1 3 351.288 3.132 20 0 FGADHM C[C@H](OC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccccc1C(F)(F)F ZINC000824722068 729356586 /nfs/dbraw/zinc/35/65/86/729356586.db2.gz GBGUABVRQSQMRI-QMMMGPOBSA-N -1 3 351.288 3.132 20 0 FGADHM C[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CCCCS3)c2-c2nnn[n-]2)C1 ZINC000824970864 729366486 /nfs/dbraw/zinc/36/64/86/729366486.db2.gz YHQSRCRKEOZTGA-KOLCDFICSA-N -1 3 363.512 3.277 20 0 FGADHM C[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CCCCS3)c2-c2nn[n-]n2)C1 ZINC000824970864 729366487 /nfs/dbraw/zinc/36/64/87/729366487.db2.gz YHQSRCRKEOZTGA-KOLCDFICSA-N -1 3 363.512 3.277 20 0 FGADHM CC/C=C(\C)C(=O)OCc1ccc(-c2nnn[n-]2)cc1Br ZINC000825218491 729374994 /nfs/dbraw/zinc/37/49/94/729374994.db2.gz DCQKNYWHPHBSDU-RUDMXATFSA-N -1 3 351.204 3.029 20 0 FGADHM CC/C=C(\C)C(=O)OCc1ccc(-c2nn[n-]n2)cc1Br ZINC000825218491 729374995 /nfs/dbraw/zinc/37/49/95/729374995.db2.gz DCQKNYWHPHBSDU-RUDMXATFSA-N -1 3 351.204 3.029 20 0 FGADHM CSCCCCCCNC(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000826228690 729406381 /nfs/dbraw/zinc/40/63/81/729406381.db2.gz XHSXLFPMHWHFOT-UHFFFAOYSA-N -1 3 350.517 3.077 20 0 FGADHM CSCCCCCCNC(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000826228690 729406382 /nfs/dbraw/zinc/40/63/82/729406382.db2.gz XHSXLFPMHWHFOT-UHFFFAOYSA-N -1 3 350.517 3.077 20 0 FGADHM Cc1c(Cl)cnc(N[C@@H](CCCO)c2ccccc2)c1-c1nnn[n-]1 ZINC000826238889 729406481 /nfs/dbraw/zinc/40/64/81/729406481.db2.gz SCPKWVLZONLZRI-AWEZNQCLSA-N -1 3 358.833 3.149 20 0 FGADHM Cc1c(Cl)cnc(N[C@@H](CCCO)c2ccccc2)c1-c1nn[n-]n1 ZINC000826238889 729406483 /nfs/dbraw/zinc/40/64/83/729406483.db2.gz SCPKWVLZONLZRI-AWEZNQCLSA-N -1 3 358.833 3.149 20 0 FGADHM Cc1ccc(CNc2ccn(-c3ccc(-c4nn[n-]n4)cc3Cl)n2)o1 ZINC000826288799 729406801 /nfs/dbraw/zinc/40/68/01/729406801.db2.gz XIVJWZNOBIMZRR-UHFFFAOYSA-N -1 3 355.789 3.219 20 0 FGADHM Cc1cc(NCc2cc(-c3nnn[n-]3)cs2)cnc1Br ZINC000826271430 729406806 /nfs/dbraw/zinc/40/68/06/729406806.db2.gz QYCHFOVUCCESRO-UHFFFAOYSA-N -1 3 351.233 3.006 20 0 FGADHM Cc1cc(NCc2cc(-c3nn[n-]n3)cs2)cnc1Br ZINC000826271430 729406807 /nfs/dbraw/zinc/40/68/07/729406807.db2.gz QYCHFOVUCCESRO-UHFFFAOYSA-N -1 3 351.233 3.006 20 0 FGADHM FC(F)C1CCN(c2ccc(Br)cc2-c2nnn[n-]2)CC1 ZINC000826369419 729407749 /nfs/dbraw/zinc/40/77/49/729407749.db2.gz BJSSQRNOVBZBQY-UHFFFAOYSA-N -1 3 358.190 3.111 20 0 FGADHM FC(F)C1CCN(c2ccc(Br)cc2-c2nn[n-]n2)CC1 ZINC000826369419 729407750 /nfs/dbraw/zinc/40/77/50/729407750.db2.gz BJSSQRNOVBZBQY-UHFFFAOYSA-N -1 3 358.190 3.111 20 0 FGADHM O=C(Nc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1)c1ccsc1 ZINC000826458536 729408152 /nfs/dbraw/zinc/40/81/52/729408152.db2.gz UGXYIASLUPOHMW-UHFFFAOYSA-N -1 3 371.813 3.020 20 0 FGADHM OC1(CSc2nc(-c3ccccc3)ccc2-c2nnn[n-]2)CCCC1 ZINC000826506585 729408287 /nfs/dbraw/zinc/40/82/87/729408287.db2.gz XQIYKRAPOJWCSM-UHFFFAOYSA-N -1 3 353.451 3.326 20 0 FGADHM OC1(CSc2nc(-c3ccccc3)ccc2-c2nn[n-]n2)CCCC1 ZINC000826506585 729408288 /nfs/dbraw/zinc/40/82/88/729408288.db2.gz XQIYKRAPOJWCSM-UHFFFAOYSA-N -1 3 353.451 3.326 20 0 FGADHM S=C(NC[C@@H]1CCCCS1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826511449 729408338 /nfs/dbraw/zinc/40/83/38/729408338.db2.gz QTLLUJTZMADVCW-JTQLQIEISA-N -1 3 368.919 3.092 20 0 FGADHM S=C(NC[C@@H]1CCCCS1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826511449 729408339 /nfs/dbraw/zinc/40/83/39/729408339.db2.gz QTLLUJTZMADVCW-JTQLQIEISA-N -1 3 368.919 3.092 20 0 FGADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)[C@H]1CCc2c1cccc2Cl ZINC000826468131 729408470 /nfs/dbraw/zinc/40/84/70/729408470.db2.gz BOJDYNDEMWURCX-LBPRGKRZSA-N -1 3 358.760 3.295 20 0 FGADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)[C@H]1CCc2c1cccc2Cl ZINC000826468131 729408471 /nfs/dbraw/zinc/40/84/71/729408471.db2.gz BOJDYNDEMWURCX-LBPRGKRZSA-N -1 3 358.760 3.295 20 0 FGADHM COc1ccc2c(c1)CCC(S(=O)(=O)[N-]c1cnn(C(C)(C)C)c1)=C2 ZINC000829782029 729511517 /nfs/dbraw/zinc/51/15/17/729511517.db2.gz SYNNDMJXSHNIPB-UHFFFAOYSA-N -1 3 361.467 3.376 20 0 FGADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H](C)c1cccc(C2CC2)c1 ZINC000831675007 729660343 /nfs/dbraw/zinc/66/03/43/729660343.db2.gz STTBVLLNMLGIHQ-JTQLQIEISA-N -1 3 353.875 3.299 20 0 FGADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1cc(-c2cccc(Cl)c2)on1 ZINC000836568965 729960708 /nfs/dbraw/zinc/96/07/08/729960708.db2.gz XCDLOVMVCFHKQR-UHFFFAOYSA-N -1 3 367.789 3.390 20 0 FGADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1cc(-c2cccc(Cl)c2)on1 ZINC000836568965 729960709 /nfs/dbraw/zinc/96/07/09/729960709.db2.gz XCDLOVMVCFHKQR-UHFFFAOYSA-N -1 3 367.789 3.390 20 0 FGADHM CC(C)[C@@H](CO)ON=C([O-])Nc1nc2c(s1)C[C@@H](C(C)(C)C)CC2 ZINC000836598105 729961992 /nfs/dbraw/zinc/96/19/92/729961992.db2.gz KJBQFTVUTXTKIY-WCQYABFASA-N -1 3 355.504 3.364 20 0 FGADHM CC(C)[C@@H](CO)O[N-]C(=O)Nc1nc2c(s1)C[C@@H](C(C)(C)C)CC2 ZINC000836598105 729961993 /nfs/dbraw/zinc/96/19/93/729961993.db2.gz KJBQFTVUTXTKIY-WCQYABFASA-N -1 3 355.504 3.364 20 0 FGADHM Cc1sc(-c2ccco2)nc1C(=O)OCc1cc(=O)[n-]c(C2CC2)n1 ZINC000837414952 730027365 /nfs/dbraw/zinc/02/73/65/730027365.db2.gz ZHNDSZWLHXOFFA-UHFFFAOYSA-N -1 3 357.391 3.442 20 0 FGADHM Nc1ccc(C(=O)OCc2cc(=O)[n-]c(C3CC3)n2)c(C(F)(F)F)c1 ZINC000837586495 730044533 /nfs/dbraw/zinc/04/45/33/730044533.db2.gz XSBACRGDFXGCHY-UHFFFAOYSA-N -1 3 353.300 3.018 20 0 FGADHM Nc1c(Cl)cc(C(=O)OCc2cc(=O)[n-]c(C3CC3)n2)cc1Cl ZINC000837604093 730046593 /nfs/dbraw/zinc/04/65/93/730046593.db2.gz IBULARIAEPTJLP-UHFFFAOYSA-N -1 3 354.193 3.306 20 0 FGADHM CCN(C(=O)[C@H](C)OC(=O)Cc1ccc([O-])c(F)c1)C1CCCCC1 ZINC000838142122 730093087 /nfs/dbraw/zinc/09/30/87/730093087.db2.gz VPPFBWFFGDRKFN-ZDUSSCGKSA-N -1 3 351.418 3.187 20 0 FGADHM CC(C)[C@H](OC(=O)Cc1ccc([O-])c(F)c1)C(=O)NC1CCCCC1 ZINC000838141581 730093122 /nfs/dbraw/zinc/09/31/22/730093122.db2.gz IETVTHTYIYLPBN-SFHVURJKSA-N -1 3 351.418 3.091 20 0 FGADHM CCN(C(=O)[C@@H](C)OC(=O)Cc1ccc([O-])c(F)c1)C1CCCCC1 ZINC000838142121 730093144 /nfs/dbraw/zinc/09/31/44/730093144.db2.gz VPPFBWFFGDRKFN-CYBMUJFWSA-N -1 3 351.418 3.187 20 0 FGADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3cnc(Cl)cn3)nc(=O)c2c1C ZINC000838362748 730113123 /nfs/dbraw/zinc/11/31/23/730113123.db2.gz VSIZCEPRHVABBX-SSDOTTSWSA-N -1 3 364.814 3.375 20 0 FGADHM Cc1c(=O)[n-]cnc1NC[C@@](C)(O)c1ccc(Br)cc1Cl ZINC000840767452 730171280 /nfs/dbraw/zinc/17/12/80/730171280.db2.gz QMVXUXWMORBRSV-CQSZACIVSA-N -1 3 372.650 3.226 20 0 FGADHM O=S(=O)([N-]C1CCC(C(F)F)CC1)c1ccc(Cl)nc1Cl ZINC000841550129 730255384 /nfs/dbraw/zinc/25/53/84/730255384.db2.gz VEIMNDHRTYPCRC-UHFFFAOYSA-N -1 3 359.225 3.491 20 0 FGADHM COc1ccc(CC(=O)[N-]OCc2ccc(Cl)c(OC)c2)cc1OC ZINC000842030142 730288748 /nfs/dbraw/zinc/28/87/48/730288748.db2.gz RWKBOYIUTBIUSG-UHFFFAOYSA-N -1 3 365.813 3.156 20 0 FGADHM C/C=C(/C)COC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000842844996 730549588 /nfs/dbraw/zinc/54/95/88/730549588.db2.gz DLNDQKPNTLBNLV-WTKPLQERSA-N -1 3 351.346 3.200 20 0 FGADHM COc1cc(-c2noc([C@H](C)NC3CC3)n2)cc(Br)c1[O-] ZINC000843220836 730598109 /nfs/dbraw/zinc/59/81/09/730598109.db2.gz WAPDHNYJNLNHAY-ZETCQYMHSA-N -1 3 354.204 3.026 20 0 FGADHM O=C(OCc1cc2n(n1)CCCC2)c1cccc(Br)c1[O-] ZINC000845117347 730811296 /nfs/dbraw/zinc/81/12/96/730811296.db2.gz BJFACUREDIJGKN-UHFFFAOYSA-N -1 3 351.200 3.045 20 0 FGADHM C[C@@H](CSc1ccccc1)N(C)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000845127758 730811855 /nfs/dbraw/zinc/81/18/55/730811855.db2.gz PQVMETBOXULGQD-JTQLQIEISA-N -1 3 373.404 3.146 20 0 FGADHM CC[C@H](COC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)CC(F)F ZINC000845759644 730893157 /nfs/dbraw/zinc/89/31/57/730893157.db2.gz YFMHLAVUMIQDPI-VIFPVBQESA-N -1 3 353.362 3.035 20 0 FGADHM O=C([O-])[C@]12CN(Cc3cc(Br)ccc3Cl)C[C@H]1COCC2 ZINC000846287742 730943941 /nfs/dbraw/zinc/94/39/41/730943941.db2.gz TZGAARGRINETJF-XHDPSFHLSA-N -1 3 374.662 3.026 20 0 FGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1cc(Cl)nc(C2CC2)c1 ZINC000847315307 731045298 /nfs/dbraw/zinc/04/52/98/731045298.db2.gz GAANJBZPWPFUCA-UHFFFAOYSA-N -1 3 365.842 3.236 20 0 FGADHM COc1cccc(S(=O)(=O)[N-]CC[C@]2(C)CC2(Cl)Cl)c1F ZINC000848457155 731166571 /nfs/dbraw/zinc/16/65/71/731166571.db2.gz CNXYAIJUVILZFI-GFCCVEGCSA-N -1 3 356.246 3.087 20 0 FGADHM O=S(=O)([N-][C@H](C1CC1)[C@H]1CCCCO1)c1cnc(Cl)c(Cl)c1 ZINC000848467060 731168330 /nfs/dbraw/zinc/16/83/30/731168330.db2.gz YGBCSZWLCPTUDV-CHWSQXEVSA-N -1 3 365.282 3.014 20 0 FGADHM CCCC[C@H](CC)CNC(=S)NN=c1ncc(Br)c[n-]1 ZINC000848653003 731192006 /nfs/dbraw/zinc/19/20/06/731192006.db2.gz HSXOFNDTBZGLRR-JTQLQIEISA-N -1 3 360.325 3.247 20 0 FGADHM COCc1csc(C[N-]S(=O)(=O)c2ccc(Cl)nc2Cl)c1 ZINC000849459069 731261963 /nfs/dbraw/zinc/26/19/63/731261963.db2.gz NKRRESBCLDTGCK-UHFFFAOYSA-N -1 3 367.279 3.075 20 0 FGADHM C[C@H](Cc1ccsc1)OC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000851146674 731428955 /nfs/dbraw/zinc/42/89/55/731428955.db2.gz VUAMHSKGDHUQJO-SNVBAGLBSA-N -1 3 357.428 3.047 20 0 FGADHM O=S(=O)([N-]CCC1SCCS1)c1csc(-c2ccccc2)n1 ZINC000851844774 731507709 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CC(C)(C)OC(=O)c1ccnc(NC(=O)c2[n-]cnc2C(F)(F)F)c1 ZINC000857746661 732158859 /nfs/dbraw/zinc/15/88/59/732158859.db2.gz SLGJLBLUCIIKAQ-UHFFFAOYSA-N -1 3 356.304 3.031 20 0 FGADHM CC(C)(C)OC(=O)c1ccnc(NC(=O)c2nc[n-]c2C(F)(F)F)c1 ZINC000857746661 732158860 /nfs/dbraw/zinc/15/88/60/732158860.db2.gz SLGJLBLUCIIKAQ-UHFFFAOYSA-N -1 3 356.304 3.031 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]C2CCN(c3cccs3)CC2)c(F)c1F ZINC000859060721 732272961 /nfs/dbraw/zinc/27/29/61/732272961.db2.gz WSBHEISHBJNQHI-UHFFFAOYSA-N -1 3 372.462 3.282 20 0 FGADHM COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-]CC[C@H]1CCCC1(C)C ZINC000859249297 732296187 /nfs/dbraw/zinc/29/61/87/732296187.db2.gz XQZCTEVZTOFYNO-LLVKDONJSA-N -1 3 374.890 3.016 20 0 FGADHM O=C(OCc1cc(=O)[n-]c(C2CC2)n1)[C@@H]1[C@@H]2Cc3c(cccc3Cl)[C@@H]21 ZINC000859790116 732393184 /nfs/dbraw/zinc/39/31/84/732393184.db2.gz MFVZLLQQQLWLEI-XOKHGSTOSA-N -1 3 356.809 3.342 20 0 FGADHM C[C@]1(Br)C[C@H]1C(=O)OCc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000860120717 732456968 /nfs/dbraw/zinc/45/69/68/732456968.db2.gz GIERFABFRYGZFO-LRDDRELGSA-N -1 3 363.211 3.066 20 0 FGADHM CC(C)(C)OC(=O)N1CC[C@H]([C@@H](F)C(=O)Nc2cccc([O-])c2F)C1 ZINC000860475078 732519567 /nfs/dbraw/zinc/51/95/67/732519567.db2.gz WHKUXCPTTHTPDV-GXFFZTMASA-N -1 3 356.369 3.065 20 0 FGADHM Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)c1ccc(C(=O)[O-])s1 ZINC000864171714 733035944 /nfs/dbraw/zinc/03/59/44/733035944.db2.gz DHTZCHZPHRBHGN-UKRRQHHQSA-N -1 3 356.447 3.203 20 0 FGADHM COc1ccccc1C[C@H](CNCc1nc(C(C)(C)C)cs1)C(=O)[O-] ZINC000864505185 733067945 /nfs/dbraw/zinc/06/79/45/733067945.db2.gz CJMVZAFRPTUXQB-CQSZACIVSA-N -1 3 362.495 3.482 20 0 FGADHM Cc1ccnc(CN[C@H](C(=O)[O-])[C@@H](C)c2ccccc2)c1Br ZINC000864517595 733071282 /nfs/dbraw/zinc/07/12/82/733071282.db2.gz XTQITTDHPZRHPM-LRDDRELGSA-N -1 3 363.255 3.499 20 0 FGADHM Cc1cc(CNCCSC[C@H](C)C(=O)[O-])c(Br)cc1F ZINC000864517781 733071332 /nfs/dbraw/zinc/07/13/32/733071332.db2.gz ZFNXGUBOADOFHD-JTQLQIEISA-N -1 3 364.280 3.440 20 0 FGADHM O=c1[n-]c(CN[C@H]2CCSc3ccc(Cl)cc32)nc2c1COCC2 ZINC000866629115 733376854 /nfs/dbraw/zinc/37/68/54/733376854.db2.gz WNSLYDZVZWSHTA-ZDUSSCGKSA-N -1 3 363.870 3.235 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1cccc(C(F)F)c1)c1nc(C(F)(F)F)no1 ZINC000867425298 733480530 /nfs/dbraw/zinc/48/05/30/733480530.db2.gz BDUBCYBHZNEDQU-LURJTMIESA-N -1 3 371.287 3.066 20 0 FGADHM O=C([N-][C@H](CCO)c1ccc(Cl)c(F)c1)C(F)(F)C1CCOCC1 ZINC000869702336 733766672 /nfs/dbraw/zinc/76/66/72/733766672.db2.gz MMHNDSWQCDZIAI-CQSZACIVSA-N -1 3 365.779 3.081 20 0 FGADHM C[C@@H]1[C@H](C(=O)[N-]OCCCC(F)(F)F)CCN1C(=O)OC(C)(C)C ZINC000871215319 733924053 /nfs/dbraw/zinc/92/40/53/733924053.db2.gz YAQDUERCOXFNMC-GHMZBOCLSA-N -1 3 354.369 3.022 20 0 FGADHM CSCCCC(=O)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000871315951 733932074 /nfs/dbraw/zinc/93/20/74/733932074.db2.gz ONXXJCNBUDPZAK-LBPRGKRZSA-N -1 3 374.428 3.329 20 0 FGADHM C[C@H](C(=O)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21)C1CC1 ZINC000871316057 733932121 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/nfs/dbraw/zinc/92/14/60/494921460.db2.gz CDTXQNVHUPZAII-UHFFFAOYSA-N -1 3 360.772 3.428 20 0 FGADHM NC(=O)CCN(Cc1ccccc1)Cc1cc([O-])ccc1Br ZINC000122127011 494928281 /nfs/dbraw/zinc/92/82/81/494928281.db2.gz YIYORBJGYHAIRV-UHFFFAOYSA-N -1 3 363.255 3.032 20 0 FGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@H]3CCC[C@]3(C)CO)s2)cs1 ZINC000132832111 494930200 /nfs/dbraw/zinc/93/02/00/494930200.db2.gz SPUDFYKCOLDKDX-DZGCQCFKSA-N -1 3 372.537 3.009 20 0 FGADHM CC1(C)Cc2ccc(C(=O)Nc3ccn(CC(F)(F)F)n3)c([O-])c2O1 ZINC000127352237 494932221 /nfs/dbraw/zinc/93/22/21/494932221.db2.gz REISMEWKRGBNGY-UHFFFAOYSA-N -1 3 355.316 3.117 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)c1c(C)nn(C)c1C ZINC000132906620 494941024 /nfs/dbraw/zinc/94/10/24/494941024.db2.gz HHDYXWJAUHWTRN-ZDUSSCGKSA-N -1 3 359.854 3.259 20 0 FGADHM CCc1cccc(C(=O)N2CSC[C@H]2C(=O)Nc2ccccc2F)c1[O-] ZINC000094100423 494948860 /nfs/dbraw/zinc/94/88/60/494948860.db2.gz LHRHHMZEDRXADO-INIZCTEOSA-N -1 3 374.437 3.248 20 0 FGADHM CC(C)(C)OC(=O)N1CCC(CC(=O)NCc2ccc([O-])c(F)c2)CC1 ZINC000132966917 494949530 /nfs/dbraw/zinc/94/95/30/494949530.db2.gz KXFZRFDWWKVBIV-UHFFFAOYSA-N -1 3 366.433 3.185 20 0 FGADHM Cc1ccc(-c2noc(CCC(=O)NCc3ccc([O-])c(F)c3)n2)cc1F ZINC000133041022 494960150 /nfs/dbraw/zinc/96/01/50/494960150.db2.gz VYCNMSHXNQFPLP-UHFFFAOYSA-N -1 3 373.359 3.278 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N(C)CCc3ccc(F)cc3)c[n-]c12 ZINC000122356984 494963072 /nfs/dbraw/zinc/96/30/72/494963072.db2.gz HRXUVJWDCRVQSU-UHFFFAOYSA-N -1 3 356.372 3.429 20 0 FGADHM C[C@@H](c1ccc(NC([O-])=NOCc2ccccc2)cc1)N1CCOCC1 ZINC000118029599 494971920 /nfs/dbraw/zinc/97/19/20/494971920.db2.gz JLPGJIFNEHRBOM-INIZCTEOSA-N -1 3 355.438 3.333 20 0 FGADHM C[C@@H](c1ccc(NC(=O)[N-]OCc2ccccc2)cc1)N1CCOCC1 ZINC000118029599 494971924 /nfs/dbraw/zinc/97/19/24/494971924.db2.gz JLPGJIFNEHRBOM-INIZCTEOSA-N -1 3 355.438 3.333 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-][C@H]1CC(C)(C)Oc2ccccc21 ZINC000127668186 494978426 /nfs/dbraw/zinc/97/84/26/494978426.db2.gz 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COC(=O)c1ccc(NC(=O)Cc2ccc(Br)cc2[O-])cc1 ZINC000580419138 505755650 /nfs/dbraw/zinc/75/56/50/505755650.db2.gz ZZUNZNZCJSQWOF-UHFFFAOYSA-N -1 3 364.195 3.123 20 0 FGADHM O=C(NCCCOC[C@H]1CCCO1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000110886724 495018221 /nfs/dbraw/zinc/01/82/21/495018221.db2.gz MPUWPVKNAOAVDB-LJQANCHMSA-N -1 3 369.461 3.299 20 0 FGADHM CCCCCOc1cc(C)ccc1CNC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000127942375 495020746 /nfs/dbraw/zinc/02/07/46/495020746.db2.gz OXEBAKFSPIAPJW-UHFFFAOYSA-N -1 3 371.481 3.123 20 0 FGADHM CCCN(C(=O)c1cc(NC(C)=O)ccc1[O-])[C@@H]1C[C@@H](OCC)C1(C)C ZINC000122732991 495022679 /nfs/dbraw/zinc/02/26/79/495022679.db2.gz FVBFAIZGIQZQLD-QZTJIDSGSA-N -1 3 362.470 3.406 20 0 FGADHM Cc1cnc(NC(=O)Cc2csc(NC(=O)c3cccc([O-])c3)n2)s1 ZINC000118762154 495033258 /nfs/dbraw/zinc/03/32/58/495033258.db2.gz HNGQNPCTCXRKHV-UHFFFAOYSA-N -1 3 374.447 3.047 20 0 FGADHM Cc1cc(Cl)ncc1[N-]S(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C ZINC000133618033 495036059 /nfs/dbraw/zinc/03/60/59/495036059.db2.gz WSBYKYOSGRDYMZ-ZBEGNZNMSA-N -1 3 356.875 3.181 20 0 FGADHM CCC(=O)c1cccc([N-]S(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)c1 ZINC000133625793 495037010 /nfs/dbraw/zinc/03/70/10/495037010.db2.gz FNQVQWIVGYNWTA-LIRRHRJNSA-N -1 3 363.479 3.416 20 0 FGADHM Cc1cccc(C(=O)N2CCCN(C(=O)c3cccc(Cl)c3)CC2)c1[O-] ZINC000097676369 495040973 /nfs/dbraw/zinc/04/09/73/495040973.db2.gz ZUQRBUTZNLRMSJ-UHFFFAOYSA-N -1 3 372.852 3.342 20 0 FGADHM Cc1c(C(=O)[N-]c2n[nH]c(-c3ccc(C)cc3)n2)nnn1-c1ccc(C)cc1 ZINC000097703297 495042899 /nfs/dbraw/zinc/04/28/99/495042899.db2.gz GYDYAGXROFBBOY-UHFFFAOYSA-N -1 3 373.420 3.230 20 0 FGADHM Cc1nc(C)c(CCC(=O)NC2(c3ccc(Cl)cc3)CCC2)c(=O)[n-]1 ZINC000097725713 495043536 /nfs/dbraw/zinc/04/35/36/495043536.db2.gz OIBNDCVJURJHNC-UHFFFAOYSA-N -1 3 359.857 3.168 20 0 FGADHM CCN1CCc2nc([N-]C(=O)c3cc(-c4ccccc4)no3)sc2C1 ZINC000122945681 495057513 /nfs/dbraw/zinc/05/75/13/495057513.db2.gz ABGRNBLEQNGXDK-UHFFFAOYSA-N -1 3 354.435 3.428 20 0 FGADHM Cc1ccc(C(=O)N2CCC[C@H](c3nnc4ccccn43)C2)c([O-])c1C ZINC000133812122 495065162 /nfs/dbraw/zinc/06/51/62/495065162.db2.gz CCYLLNBYWXJYMP-HNNXBMFYSA-N -1 3 350.422 3.072 20 0 FGADHM CSCCCCNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000119031528 495075607 /nfs/dbraw/zinc/07/56/07/495075607.db2.gz FMHMLSVCVRWAFF-UHFFFAOYSA-N -1 3 369.284 3.164 20 0 FGADHM Cc1ccccc1CS(=O)(=O)[N-][C@@H](C)c1noc(-c2ccccc2)n1 ZINC000128312920 495077825 /nfs/dbraw/zinc/07/78/25/495077825.db2.gz VRTNOVSRFLKDDX-AWEZNQCLSA-N -1 3 357.435 3.226 20 0 FGADHM CC(C)CCC[C@H](C)NC(=O)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000101606106 495084846 /nfs/dbraw/zinc/08/48/46/495084846.db2.gz HNHZNZMNNBAZEK-INIZCTEOSA-N -1 3 361.486 3.074 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCCCC[C@@H]2[C@@H]2CCCCC2=O)c1 ZINC000123171838 495090626 /nfs/dbraw/zinc/09/06/26/495090626.db2.gz FMLGAAIFULPTMO-FUHWJXTLSA-N -1 3 372.465 3.495 20 0 FGADHM Cc1ccc(C(=O)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)c([O-])c1 ZINC000101841479 495102201 /nfs/dbraw/zinc/10/22/01/495102201.db2.gz WGABXPFFVLPKMS-UHFFFAOYSA-N -1 3 356.397 3.331 20 0 FGADHM Cc1ccc([C@H](C[N-]S(=O)(=O)c2cc3ccccc3o2)N2CCCC2)o1 ZINC000134094962 495105498 /nfs/dbraw/zinc/10/54/98/495105498.db2.gz NJHMUBMKAJEKSQ-INIZCTEOSA-N -1 3 374.462 3.450 20 0 FGADHM O=c1[n-]nc(SCCCc2ccc(Cl)cc2)n1C[C@@H]1CCCO1 ZINC000119186610 495113405 /nfs/dbraw/zinc/11/34/05/495113405.db2.gz KZRFBOYVEBACHS-AWEZNQCLSA-N -1 3 353.875 3.129 20 0 FGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(NC(=O)C2=CCCCC2)ccc1F ZINC000128596305 495122127 /nfs/dbraw/zinc/12/21/27/495122127.db2.gz FXSAHECVLMOUJX-UHFFFAOYSA-N -1 3 354.447 3.341 20 0 FGADHM Cc1ccc([O-])c(C(=O)N2CCC(c3nc(-c4ccccn4)no3)CC2)c1 ZINC000102310280 495128374 /nfs/dbraw/zinc/12/83/74/495128374.db2.gz KGIAICVDEYECFY-UHFFFAOYSA-N -1 3 364.405 3.165 20 0 FGADHM COc1ccc([C@H](CNC(=O)c2c([O-])cccc2F)N2CCCC2)cc1 ZINC000119266773 495130646 /nfs/dbraw/zinc/13/06/46/495130646.db2.gz OLQKPRMPFNXVBT-KRWDZBQOSA-N -1 3 358.413 3.107 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)c1cccc2c1N=S=N2)c1c(C)noc1C ZINC000119290596 495135320 /nfs/dbraw/zinc/13/53/20/495135320.db2.gz XWQICONARXAJMG-JTQLQIEISA-N -1 3 352.441 3.447 20 0 FGADHM Cn1ccnc1-c1cc(NC(=O)c2cnc(Cc3ccccc3)s2)n[n-]1 ZINC000119358502 495150572 /nfs/dbraw/zinc/15/05/72/495150572.db2.gz WVQINJNLSRBOSJ-UHFFFAOYSA-N -1 3 364.434 3.110 20 0 FGADHM Cn1ccnc1-c1cc(NC(=O)c2cnc(Cc3ccccc3)s2)[n-]n1 ZINC000119358502 495150575 /nfs/dbraw/zinc/15/05/75/495150575.db2.gz WVQINJNLSRBOSJ-UHFFFAOYSA-N -1 3 364.434 3.110 20 0 FGADHM CCCS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc(F)cc2OC)cc1 ZINC000102750806 495158659 /nfs/dbraw/zinc/15/86/59/495158659.db2.gz XJOKIGUOIBPESP-UHFFFAOYSA-N -1 3 366.414 3.238 20 0 FGADHM COc1c(C(=O)[N-]c2nnc(C(C)(C)c3ccccc3)s2)c(C)nn1C ZINC000112294658 495170437 /nfs/dbraw/zinc/17/04/37/495170437.db2.gz PFXVOUVMGUKZPL-UHFFFAOYSA-N -1 3 371.466 3.167 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](C[C@@H]2CCOC2)c2ccccc2)c1 ZINC000123729734 495177340 /nfs/dbraw/zinc/17/73/40/495177340.db2.gz XQSLVJKXKQMPKV-HNAYVOBHSA-N -1 3 368.433 3.248 20 0 FGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]Cc2cccc3cccnc32)c1 ZINC000112361889 495180732 /nfs/dbraw/zinc/18/07/32/495180732.db2.gz QELOSPLMFKYXFL-UHFFFAOYSA-N -1 3 362.838 3.375 20 0 FGADHM Cc1cccc(Cl)c1NC(=O)NCCCNC(=O)c1cccc([O-])c1 ZINC000129010457 495181879 /nfs/dbraw/zinc/18/18/79/495181879.db2.gz XJLDRYQKJKFDQK-UHFFFAOYSA-N -1 3 361.829 3.296 20 0 FGADHM C[C@H](NC1(CNC(=O)c2ccc(F)cc2[O-])CCOCC1)c1ccccc1 ZINC000123797166 495188242 /nfs/dbraw/zinc/18/82/42/495188242.db2.gz IZMJBDWALSKRNM-HNNXBMFYSA-N -1 3 372.440 3.161 20 0 FGADHM Cc1nc(C)c(CCC(=O)N(Cc2ccc(F)cc2)C(C)(C)C)c(=O)[n-]1 ZINC000123811026 495190854 /nfs/dbraw/zinc/19/08/54/495190854.db2.gz FQYNALHMJSPYFP-UHFFFAOYSA-N -1 3 359.445 3.286 20 0 FGADHM C[C@H]1C[C@H](C)CN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1 ZINC000112625407 495213347 /nfs/dbraw/zinc/21/33/47/495213347.db2.gz LAYQLANRKGIDAQ-QWRGUYRKSA-N -1 3 363.255 3.409 20 0 FGADHM COCCc1noc(CSc2nnc([N-]c3ccccc3F)s2)n1 ZINC000103349389 495222953 /nfs/dbraw/zinc/22/29/53/495222953.db2.gz YRFMZKSTUQZIOW-UHFFFAOYSA-N -1 3 367.431 3.285 20 0 FGADHM O=c1[n-]c(SCc2cc(Br)ccc2Cl)nc2[nH]ncc21 ZINC000112696123 495224336 /nfs/dbraw/zinc/22/43/36/495224336.db2.gz HDBCUBONRAOKQI-UHFFFAOYSA-N -1 3 371.647 3.354 20 0 FGADHM CCC(C)(C)[C@H](NCc1cn(-c2ccc(F)c(Cl)c2)nn1)C(=O)[O-] ZINC000577634542 505768372 /nfs/dbraw/zinc/76/83/72/505768372.db2.gz TYFVMJYZWILKAZ-CQSZACIVSA-N -1 3 354.813 3.039 20 0 FGADHM CC(C)[C@H](C(=O)Nc1cccc([O-])c1F)n1nnc(-c2ccccc2)n1 ZINC000129316176 495227224 /nfs/dbraw/zinc/22/72/24/495227224.db2.gz SDTDEFVNQKNJAX-MRXNPFEDSA-N -1 3 355.373 3.021 20 0 FGADHM Cc1cnc([C@@H](C)[N-]S(=O)(=O)c2cccc(Br)c2)s1 ZINC000134940631 495227909 /nfs/dbraw/zinc/22/79/09/495227909.db2.gz FNBGHLDWYUKLEH-SECBINFHSA-N -1 3 361.286 3.254 20 0 FGADHM Cc1nc(C)c(CC(=O)N[C@@H](C)c2ccc(SC(C)C)cc2)c(=O)[n-]1 ZINC000103445796 495233099 /nfs/dbraw/zinc/23/30/99/495233099.db2.gz YIFCACFEKJSUMN-LBPRGKRZSA-N -1 3 359.495 3.307 20 0 FGADHM CC[C@@H](OC1CCCC1)C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000112800894 495242623 /nfs/dbraw/zinc/24/26/23/495242623.db2.gz YEJBKQQZBZLHPS-QGZVFWFLSA-N -1 3 355.438 3.422 20 0 FGADHM COc1ccc2c(c1)CCC[C@H]2CC(=O)Nc1cc(-c2nccn2C)[n-]n1 ZINC000119808240 495245451 /nfs/dbraw/zinc/24/54/51/495245451.db2.gz QLIFPFKCLGLRKH-AWEZNQCLSA-N -1 3 365.437 3.268 20 0 FGADHM COc1ccc2c(c1)CCC[C@H]2CC(=O)Nc1cc(-c2nccn2C)n[n-]1 ZINC000119808240 495245453 /nfs/dbraw/zinc/24/54/53/495245453.db2.gz QLIFPFKCLGLRKH-AWEZNQCLSA-N -1 3 365.437 3.268 20 0 FGADHM Cn1ccnc1-c1cc(NC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)n[n-]1 ZINC000119847400 495253909 /nfs/dbraw/zinc/25/39/09/495253909.db2.gz KJEJGFMTLXPDNF-UHFFFAOYSA-N -1 3 360.421 3.423 20 0 FGADHM Cn1ccnc1-c1cc(NC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)[n-]n1 ZINC000119847400 495253912 /nfs/dbraw/zinc/25/39/12/495253912.db2.gz KJEJGFMTLXPDNF-UHFFFAOYSA-N -1 3 360.421 3.423 20 0 FGADHM CCc1nc(NC(=O)c2c[n-]nc2-c2ccc(F)cc2)sc1C(=O)OC ZINC000124257806 495258953 /nfs/dbraw/zinc/25/89/53/495258953.db2.gz KFXTXYKPVYZVFP-UHFFFAOYSA-N -1 3 374.397 3.274 20 0 FGADHM CCC(CC)(CCO)C[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000124282981 495262825 /nfs/dbraw/zinc/26/28/25/495262825.db2.gz JUOPVAZMBHZFFU-UHFFFAOYSA-N -1 3 354.299 3.461 20 0 FGADHM O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)Nc1ccc([O-])cc1F ZINC000124358880 495275836 /nfs/dbraw/zinc/27/58/36/495275836.db2.gz VQQVKVZSBHMQMT-UHFFFAOYSA-N -1 3 357.168 3.207 20 0 FGADHM Cc1ccc(C(N)=O)cc1NC(=O)c1c[n-]nc1-c1ccc(Cl)cc1 ZINC000104340697 495279024 /nfs/dbraw/zinc/27/90/24/495279024.db2.gz HAEBVVZHBHCPDL-UHFFFAOYSA-N -1 3 354.797 3.390 20 0 FGADHM O=C([N-]c1ccsc1)c1sccc1S(=O)(=O)N1CCCCC1 ZINC000135349234 495280010 /nfs/dbraw/zinc/28/00/10/495280010.db2.gz AJBKACYRZAHPRS-UHFFFAOYSA-N -1 3 356.494 3.237 20 0 FGADHM O=S(=O)([N-]C[C@@H]1CCCN(Cc2cccs2)C1)c1ccccc1F ZINC000119972785 495280334 /nfs/dbraw/zinc/28/03/34/495280334.db2.gz IYGNYFAHQNNPLM-AWEZNQCLSA-N -1 3 368.499 3.078 20 0 FGADHM Cc1oc(-c2ccsc2)nc1CC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000104367856 495280616 /nfs/dbraw/zinc/28/06/16/495280616.db2.gz LPORRWOLABEXGR-UHFFFAOYSA-N -1 3 366.406 3.073 20 0 FGADHM Cc1oc(-c2ccsc2)nc1CC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000104367856 495280618 /nfs/dbraw/zinc/28/06/18/495280618.db2.gz LPORRWOLABEXGR-UHFFFAOYSA-N -1 3 366.406 3.073 20 0 FGADHM Cc1ccc(-c2nsc([N-]C(=O)c3cc(-n4cccn4)ccn3)n2)s1 ZINC000119979554 495281982 /nfs/dbraw/zinc/28/19/82/495281982.db2.gz ALHXGQKKYGVDGH-UHFFFAOYSA-N -1 3 368.447 3.408 20 0 FGADHM Cc1nc(C)c(CC(=O)N[C@H]2CCc3c2ccc(Cl)c3Cl)c(=O)[n-]1 ZINC000113200242 495282757 /nfs/dbraw/zinc/28/27/57/495282757.db2.gz KXLJVNJMNNSSDH-AWEZNQCLSA-N -1 3 366.248 3.040 20 0 FGADHM CC[C@@H](NC(=O)c1c[n-]c2c(C)cc(F)cc2c1=O)c1c(C)noc1C ZINC000129711036 495283914 /nfs/dbraw/zinc/28/39/14/495283914.db2.gz WENVVUYIXYDOFG-OAHLLOKOSA-N -1 3 357.385 3.462 20 0 FGADHM O=[S@@](Cc1nc(-c2cc(F)c(F)c(F)c2)no1)c1ccc([O-])cc1 ZINC000129806677 495298777 /nfs/dbraw/zinc/29/87/77/495298777.db2.gz NBPKFHLLTRDGIQ-XMMPIXPASA-N -1 3 354.309 3.167 20 0 FGADHM C[C@H]1C[C@H]1c1ccc(CN(C(=O)c2ccc3c(c2)C(=O)[N-]C3=O)C2CC2)o1 ZINC000104847317 495309800 /nfs/dbraw/zinc/30/98/00/495309800.db2.gz ZBYJKZSMZWIBJO-MEDUHNTESA-N -1 3 364.401 3.091 20 0 FGADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000135556409 495310653 /nfs/dbraw/zinc/31/06/53/495310653.db2.gz FFRSSZSJWTVJAY-VXGBXAGGSA-N -1 3 353.348 3.098 20 0 FGADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000135556409 495310655 /nfs/dbraw/zinc/31/06/55/495310655.db2.gz FFRSSZSJWTVJAY-VXGBXAGGSA-N -1 3 353.348 3.098 20 0 FGADHM CC[C@@H](C)c1ccccc1OCC(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000135568633 495312585 /nfs/dbraw/zinc/31/25/85/495312585.db2.gz KJOZBRHPQXVXLE-CQSZACIVSA-N -1 3 365.437 3.322 20 0 FGADHM CC[C@@H](C)c1ccccc1OCC(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000135568633 495312586 /nfs/dbraw/zinc/31/25/86/495312586.db2.gz KJOZBRHPQXVXLE-CQSZACIVSA-N -1 3 365.437 3.322 20 0 FGADHM Cc1cccc(C(=O)Nc2ccc(CC(=O)N3CCSCC3)cc2)c1[O-] ZINC000124620157 495317704 /nfs/dbraw/zinc/31/77/04/495317704.db2.gz KEUPSDHVQVUFKA-UHFFFAOYSA-N -1 3 370.474 3.071 20 0 FGADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)NC1(c2cccc(Cl)c2)CC1 ZINC000124713838 495331822 /nfs/dbraw/zinc/33/18/22/495331822.db2.gz SYDXYIJYQZFACA-UHFFFAOYSA-N -1 3 355.781 3.034 20 0 FGADHM Cc1cccc(C(=O)N2CCN(C(=O)CCCc3ccccc3)CC2)c1[O-] ZINC000124734944 495334862 /nfs/dbraw/zinc/33/48/62/495334862.db2.gz JISCSDJBPOQSSW-UHFFFAOYSA-N -1 3 366.461 3.008 20 0 FGADHM CCOC(=O)c1ccc(NC(=O)c2ccn(-c3cccc(F)c3)n2)c([O-])c1 ZINC000124780426 495342674 /nfs/dbraw/zinc/34/26/74/495342674.db2.gz QHYLCROVKJWXKM-UHFFFAOYSA-N -1 3 369.352 3.146 20 0 FGADHM COc1ccc(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2C(F)(F)F)c(F)c1 ZINC000574448899 505775796 /nfs/dbraw/zinc/77/57/96/505775796.db2.gz HWZKIVBLYLFWLA-CMPLNLGQSA-N -1 3 355.353 3.234 20 0 FGADHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)c(CN(C)C)c1 ZINC000114054121 495346579 /nfs/dbraw/zinc/34/65/79/495346579.db2.gz RJHXZUUPXJMQOY-CQSZACIVSA-N -1 3 360.479 3.181 20 0 FGADHM Cc1n[nH]c(C)c1[C@@H](C)CC(=O)Nc1cccc(-c2nc(C)cc(=O)[n-]2)c1 ZINC000136244244 495366866 /nfs/dbraw/zinc/36/68/66/495366866.db2.gz ITBSZOSJDUHNTI-NSHDSACASA-N -1 3 365.437 3.218 20 0 FGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@@H](C)c2cccnc2)cc1Cl ZINC000105616186 495377139 /nfs/dbraw/zinc/37/71/39/495377139.db2.gz NIQADSFGVPTICN-VIFPVBQESA-N -1 3 361.250 3.437 20 0 FGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@H](C)c2cccnc2)cc1Cl ZINC000105616189 495377459 /nfs/dbraw/zinc/37/74/59/495377459.db2.gz NIQADSFGVPTICN-SECBINFHSA-N -1 3 361.250 3.437 20 0 FGADHM CCCNC(=O)c1ccc(NC(=O)c2cccc(OC)c2[O-])cc1Cl ZINC000136598819 495389441 /nfs/dbraw/zinc/38/94/41/495389441.db2.gz HOCUQEWHSJGYQC-UHFFFAOYSA-N -1 3 362.813 3.446 20 0 FGADHM Cc1cccc(C(=O)N2CCC(C(=O)N3CCc4ccccc43)CC2)c1[O-] ZINC000120540558 495401352 /nfs/dbraw/zinc/40/13/52/495401352.db2.gz WNHZBHOOXRWEDC-UHFFFAOYSA-N -1 3 364.445 3.142 20 0 FGADHM CCn1cc(NC(=O)c2cc(OCc3ccccc3)ccc2[O-])ccc1=O ZINC000130550322 495409604 /nfs/dbraw/zinc/40/96/04/495409604.db2.gz KUEPOIFNRUJTHK-UHFFFAOYSA-N -1 3 364.401 3.405 20 0 FGADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)C=Cc3ccnc(Cl)c3)cc2)n1 ZINC000130585006 495414307 /nfs/dbraw/zinc/41/43/07/495414307.db2.gz WQGTZWLPWFZAKW-FARCUNLSSA-N -1 3 366.808 3.446 20 0 FGADHM C[C@@H](CCc1cccc(F)c1)C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000136985520 495415029 /nfs/dbraw/zinc/41/50/29/495415029.db2.gz IMCSHSXZVJDPNU-ZDUSSCGKSA-N -1 3 353.401 3.137 20 0 FGADHM C[C@@H](CCc1cccc(F)c1)C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000136985520 495415030 /nfs/dbraw/zinc/41/50/30/495415030.db2.gz IMCSHSXZVJDPNU-ZDUSSCGKSA-N -1 3 353.401 3.137 20 0 FGADHM COc1ccc2c(c1)CCC[C@@H]2CNC(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000136990362 495415792 /nfs/dbraw/zinc/41/57/92/495415792.db2.gz ATOIESREVRVONG-OAHLLOKOSA-N -1 3 368.433 3.209 20 0 FGADHM COc1ccc([C@H](C)NC(=O)c2c[n-]nc2-c2ccccn2)c(C)c1OC ZINC000568810146 505781998 /nfs/dbraw/zinc/78/19/98/505781998.db2.gz IXSGJIDBZHESHR-ZDUSSCGKSA-N -1 3 366.421 3.288 20 0 FGADHM O=C(N[C@H]1CCCc2sccc21)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000137377427 495439490 /nfs/dbraw/zinc/43/94/90/495439490.db2.gz DETMAWALNZRVGE-HOTGVXAUSA-N -1 3 370.474 3.252 20 0 FGADHM O=S(=O)([N-]C1CCN(CCCCC(F)(F)F)CC1)c1cccs1 ZINC000130777275 495443983 /nfs/dbraw/zinc/44/39/83/495443983.db2.gz AGRSYXVHMBEDCF-UHFFFAOYSA-N -1 3 370.462 3.223 20 0 FGADHM CCc1cc(=O)[n-]c(CSCc2nc([C@H](C)OCC(C)C)no2)n1 ZINC000125512165 495456455 /nfs/dbraw/zinc/45/64/55/495456455.db2.gz VWOXHNBCOYOEKU-NSHDSACASA-N -1 3 352.460 3.295 20 0 FGADHM Cc1nc(C)c(CCC(=O)N[C@H](c2ccccc2Cl)C(C)C)c(=O)[n-]1 ZINC000115098831 495460692 /nfs/dbraw/zinc/46/06/92/495460692.db2.gz PETOICGWPQCZDH-SFHVURJKSA-N -1 3 361.873 3.486 20 0 FGADHM Cc1ccc(C(=O)NCc2cccc(NC(=O)[C@H]3CCCO3)c2)c([O-])c1C ZINC000130909754 495465080 /nfs/dbraw/zinc/46/50/80/495465080.db2.gz CAFULNLTQJGWBR-GOSISDBHSA-N -1 3 368.433 3.057 20 0 FGADHM CCc1cc(=O)[n-]c(CSCC(=O)N[C@H]2CCCc3ccccc32)n1 ZINC000125597592 495468377 /nfs/dbraw/zinc/46/83/77/495468377.db2.gz GQZWTDHGFJGAJI-INIZCTEOSA-N -1 3 357.479 3.172 20 0 FGADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1cncc(-c2ccc(Cl)cc2)c1 ZINC000130965635 495472747 /nfs/dbraw/zinc/47/27/47/495472747.db2.gz SKDNMCIWVPPIFQ-UHFFFAOYSA-N -1 3 356.769 3.164 20 0 FGADHM O=c1nc(CN2CCOC3(CCCC3)C2)[n-]c2scc(-c3ccco3)c21 ZINC000139704305 495482583 /nfs/dbraw/zinc/48/25/83/495482583.db2.gz KBMSYZNOETYBDI-UHFFFAOYSA-N -1 3 371.462 3.390 20 0 FGADHM Cc1ccc(C(=O)Nc2cccc(C[S@](=O)C3CCOCC3)c2)c([O-])c1 ZINC000115289674 495485504 /nfs/dbraw/zinc/48/55/04/495485504.db2.gz RITVLDZTULRKSV-AREMUKBSSA-N -1 3 373.474 3.381 20 0 FGADHM Cc1n[nH]c(C(C)C)c1C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000131091855 495490418 /nfs/dbraw/zinc/49/04/18/495490418.db2.gz CPKSZLYKATUFCU-UHFFFAOYSA-N -1 3 355.438 3.282 20 0 FGADHM CC(C)(C)c1ncc(C(=O)[N-]c2cc(S(C)(=O)=O)ccc2F)s1 ZINC000140284549 495492783 /nfs/dbraw/zinc/49/27/83/495492783.db2.gz MQHUQSWERKRWSL-UHFFFAOYSA-N -1 3 356.444 3.236 20 0 FGADHM C[C@@H](Cc1nc2ccccc2s1)[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000121049203 495512531 /nfs/dbraw/zinc/51/25/31/495512531.db2.gz FZTOQPBAZIUEBM-JTQLQIEISA-N -1 3 368.430 3.484 20 0 FGADHM COc1c(F)ccc(F)c1C(=O)Nc1cccc(-c2nc(C)cc(=O)[n-]2)c1 ZINC000121068237 495517105 /nfs/dbraw/zinc/51/71/05/495517105.db2.gz WUVJIKOLQNWOPE-UHFFFAOYSA-N -1 3 371.343 3.284 20 0 FGADHM COCCN(Cc1ccc(F)cc1Cl)C(=O)c1cccc(OC)c1[O-] ZINC000107158143 495522929 /nfs/dbraw/zinc/52/29/29/495522929.db2.gz ZESCTPYSTKDHCS-UHFFFAOYSA-N -1 3 367.804 3.482 20 0 FGADHM Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)c1nc(-c2ccccc2)cs1 ZINC000107310607 495525270 /nfs/dbraw/zinc/52/52/70/495525270.db2.gz KBBINWTZXJJTEV-LLVKDONJSA-N -1 3 363.464 3.454 20 0 FGADHM COC(=O)[C@@](C)(NC(=O)c1cc([O-])ccc1Cl)c1ccc(F)cc1 ZINC000577761246 505787447 /nfs/dbraw/zinc/78/74/47/505787447.db2.gz LNWYRWDNJKKGMF-KRWDZBQOSA-N -1 3 351.761 3.003 20 0 FGADHM CC[C@H](C)C[C@@H]([N-]S(=O)(=O)Cc1ccc(C(F)F)cc1)C(=O)OC ZINC000571675409 505788137 /nfs/dbraw/zinc/78/81/37/505788137.db2.gz VGBBRSADCPKQOP-SMDDNHRTSA-N -1 3 363.426 3.021 20 0 FGADHM Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)c2ccc3n[n-]nc3c2)cc1 ZINC000173499480 495559678 /nfs/dbraw/zinc/55/96/78/495559678.db2.gz XFAOTHZPJBNBLB-QFBILLFUSA-N -1 3 350.422 3.164 20 0 FGADHM Cc1cc(C)cc([C@@H]2CCN(C(=O)Nc3ccc4c(c3)C(=O)[N-]C4=O)C2)c1 ZINC000182437246 495563131 /nfs/dbraw/zinc/56/31/31/495563131.db2.gz FPUCZRZBXVLKDT-CQSZACIVSA-N -1 3 363.417 3.208 20 0 FGADHM O=S(=O)([N-]C[C@H]1CCCO[C@H]1c1ccccc1)c1cc(F)cc(F)c1 ZINC000146317790 495565088 /nfs/dbraw/zinc/56/50/88/495565088.db2.gz UKGAVWHIKCCQOO-KDOFPFPSSA-N -1 3 367.417 3.411 20 0 FGADHM COc1nnc(NC(=O)[C@@H]2CC=CC[C@H]2c2nc3ccccc3s2)[n-]1 ZINC000179377138 495566597 /nfs/dbraw/zinc/56/65/97/495566597.db2.gz GUALEFROZRBVAY-GHMZBOCLSA-N -1 3 355.423 3.112 20 0 FGADHM COc1nc(NC(=O)[C@@H]2CC=CC[C@H]2c2nc3ccccc3s2)n[n-]1 ZINC000179377138 495566599 /nfs/dbraw/zinc/56/65/99/495566599.db2.gz GUALEFROZRBVAY-GHMZBOCLSA-N -1 3 355.423 3.112 20 0 FGADHM COc1n[n-]c(NC(=O)[C@@H]2CC=CC[C@H]2c2nc3ccccc3s2)n1 ZINC000179377138 495566602 /nfs/dbraw/zinc/56/66/02/495566602.db2.gz GUALEFROZRBVAY-GHMZBOCLSA-N -1 3 355.423 3.112 20 0 FGADHM Cc1csc(C[N-]S(=O)(=O)Cc2ccccc2C(F)(F)F)n1 ZINC000170690700 495568302 /nfs/dbraw/zinc/56/83/02/495568302.db2.gz YHVZGDYSOKCQNM-UHFFFAOYSA-N -1 3 350.387 3.090 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)c1 ZINC000179386275 495570982 /nfs/dbraw/zinc/57/09/82/495570982.db2.gz POEWLOQOBIJRFH-BWACUDIHSA-N -1 3 371.437 3.495 20 0 FGADHM O=C(c1ccc(Br)c([O-])c1)N1CCCN(C2CCCC2)CC1 ZINC000179397808 495575755 /nfs/dbraw/zinc/57/57/55/495575755.db2.gz PPEJLPHEOBPEAF-UHFFFAOYSA-N -1 3 367.287 3.245 20 0 FGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]CC(C)(C)C[C@@H](C)O)s2)cs1 ZINC000182474382 495576601 /nfs/dbraw/zinc/57/66/01/495576601.db2.gz BAAGVDWVMYEBQO-SNVBAGLBSA-N -1 3 374.553 3.255 20 0 FGADHM O=S(=O)([N-][C@@H]1CCCC[C@H]1n1cccn1)c1ccc(F)cc1Cl ZINC000173539062 495580122 /nfs/dbraw/zinc/58/01/22/495580122.db2.gz IFTCHOCNSDRBLN-ZIAGYGMSSA-N -1 3 357.838 3.138 20 0 FGADHM O=C(Cc1ccc([O-])cc1Cl)N[C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000158802488 495592025 /nfs/dbraw/zinc/59/20/25/495592025.db2.gz ITICKACYHQNGFW-GFCCVEGCSA-N -1 3 366.795 3.261 20 0 FGADHM CCOC(=O)c1c(CC)c(C)sc1[N-]C(=O)c1cc(COC)on1 ZINC000173570118 495592830 /nfs/dbraw/zinc/59/28/30/495592830.db2.gz RZBIMBWKICWBJO-UHFFFAOYSA-N -1 3 352.412 3.182 20 0 FGADHM CC(C)c1ccc(-n2cc([O-])c(C(=O)N3C[C@H]4CCCN4C[C@H]3C)n2)cc1 ZINC000173570323 495593050 /nfs/dbraw/zinc/59/30/50/495593050.db2.gz MXXMOERFQMISBJ-CRAIPNDOSA-N -1 3 368.481 3.010 20 0 FGADHM Cc1cc(S(C)(=O)=O)cc(C(=O)Nc2cc(Cl)ccc2[O-])c1C ZINC000179458553 495598930 /nfs/dbraw/zinc/59/89/30/495598930.db2.gz LVLRNWSGXANARX-UHFFFAOYSA-N -1 3 353.827 3.318 20 0 FGADHM C[C@@H](NCc1cc([O-])cc(F)c1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000185518388 495606980 /nfs/dbraw/zinc/60/69/80/495606980.db2.gz OKORDFRZTDNQBW-CQSZACIVSA-N -1 3 361.436 3.273 20 0 FGADHM Cc1cccc(C(=O)N2CCCC[C@@H]2CNC(=O)c2ccccc2)c1[O-] ZINC000173638351 495626789 /nfs/dbraw/zinc/62/67/89/495626789.db2.gz GNEDFOLWSSDROS-QGZVFWFLSA-N -1 3 352.434 3.125 20 0 FGADHM CCCn1c(=O)[n-]nc1SC[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000158981368 495628679 /nfs/dbraw/zinc/62/86/79/495628679.db2.gz JHYOEHRXDBAXFL-GFCCVEGCSA-N -1 3 361.389 3.108 20 0 FGADHM Cc1ccc(-n2cc(C(=O)Nc3cc(Br)ccc3[O-])nn2)cc1 ZINC000176439606 495650589 /nfs/dbraw/zinc/65/05/89/495650589.db2.gz ICYLOAHTVXLKBK-UHFFFAOYSA-N -1 3 373.210 3.296 20 0 FGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)c2cc(C)c(F)cc2F)c1 ZINC000176480259 495666582 /nfs/dbraw/zinc/66/65/82/495666582.db2.gz CQAWZXVRQDZQLO-UHFFFAOYSA-N -1 3 354.378 3.205 20 0 FGADHM COc1ccc(-n2nnc(C(=O)Nc3cc(Cl)ccc3[O-])c2C)cc1 ZINC000170967900 495671794 /nfs/dbraw/zinc/67/17/94/495671794.db2.gz VFPOCROFKSHSGR-UHFFFAOYSA-N -1 3 358.785 3.196 20 0 FGADHM CC(C)c1ccc(C(=O)Nc2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)s1 ZINC000185682053 495676594 /nfs/dbraw/zinc/67/65/94/495676594.db2.gz CNIHNDQOIFUJBZ-GOSISDBHSA-N -1 3 357.435 3.178 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)[C@H](C)COc3ccccc3)[n-]c21 ZINC000159275570 495700024 /nfs/dbraw/zinc/70/00/24/495700024.db2.gz ZTGXOMSAKLHGBS-GFCCVEGCSA-N -1 3 353.378 3.003 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@H](C)COc3ccccc3)nc21 ZINC000159275570 495700031 /nfs/dbraw/zinc/70/00/31/495700031.db2.gz ZTGXOMSAKLHGBS-GFCCVEGCSA-N -1 3 353.378 3.003 20 0 FGADHM C[C@@H](Sc1ncnn1C)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000185771668 495719309 /nfs/dbraw/zinc/71/93/09/495719309.db2.gz VKTITIPHXIUTCO-MRVPVSSYSA-N -1 3 359.436 3.226 20 0 FGADHM C[C@@H](SCc1nncn1C)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000179807455 495741295 /nfs/dbraw/zinc/74/12/95/495741295.db2.gz WQGNNYUVHFWNOV-SECBINFHSA-N -1 3 373.463 3.368 20 0 FGADHM CC(C)CCNC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000182893076 495745844 /nfs/dbraw/zinc/74/58/44/495745844.db2.gz QCFUBVACRNLGNF-LJQANCHMSA-N -1 3 354.450 3.416 20 0 FGADHM CN(C[C@H]1CCC[C@H]1O)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000154842195 495746712 /nfs/dbraw/zinc/74/67/12/495746712.db2.gz YETCRMACDHCTJT-UYAOXDASSA-N -1 3 353.462 3.410 20 0 FGADHM CCN1CCN(c2ccc(C(=O)N3CCCc4cccc([O-])c43)cc2)CC1 ZINC000182904823 495750710 /nfs/dbraw/zinc/75/07/10/495750710.db2.gz WTMVSXDWLHMRGX-UHFFFAOYSA-N -1 3 365.477 3.127 20 0 FGADHM CCN(CC)[C@@H](C[N-]S(=O)(=O)c1sccc1OC)c1ccsc1 ZINC000154945103 495780352 /nfs/dbraw/zinc/78/03/52/495780352.db2.gz PDBZSHHKHOQYFN-ZDUSSCGKSA-N -1 3 374.553 3.180 20 0 FGADHM Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)[N-]OCCC(F)(F)F)C2)c1 ZINC000154945777 495781792 /nfs/dbraw/zinc/78/17/92/495781792.db2.gz NMUIVKWIYZSXDP-CYBMUJFWSA-N -1 3 373.375 3.239 20 0 FGADHM COc1cc(NC(=O)c2cccc([O-])c2)cc(OC)c1Br ZINC000182990654 495788539 /nfs/dbraw/zinc/78/85/39/495788539.db2.gz KRZFPHWFYVNDML-UHFFFAOYSA-N -1 3 352.184 3.424 20 0 FGADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]c1c(C)cccc1Cl ZINC000185950785 495794863 /nfs/dbraw/zinc/79/48/63/495794863.db2.gz DNEFGWLFKQJWCA-UHFFFAOYSA-N -1 3 357.790 3.375 20 0 FGADHM COc1nnc(NC(=O)c2cnn(-c3ccc(C)c(Cl)c3)c2C2CC2)[n-]1 ZINC000183009186 495797080 /nfs/dbraw/zinc/79/70/80/495797080.db2.gz ODSOWJXGBOSNRR-UHFFFAOYSA-N -1 3 372.816 3.091 20 0 FGADHM COc1nc(NC(=O)c2cnn(-c3ccc(C)c(Cl)c3)c2C2CC2)n[n-]1 ZINC000183009186 495797084 /nfs/dbraw/zinc/79/70/84/495797084.db2.gz ODSOWJXGBOSNRR-UHFFFAOYSA-N -1 3 372.816 3.091 20 0 FGADHM COc1n[n-]c(NC(=O)c2cnn(-c3ccc(C)c(Cl)c3)c2C2CC2)n1 ZINC000183009186 495797089 /nfs/dbraw/zinc/79/70/89/495797089.db2.gz ODSOWJXGBOSNRR-UHFFFAOYSA-N -1 3 372.816 3.091 20 0 FGADHM Cc1nc(C)c(S(=O)(=O)[N-][C@H]2CCOc3c(Cl)cccc32)s1 ZINC000176843208 495807659 /nfs/dbraw/zinc/80/76/59/495807659.db2.gz FYCRQLQYCSFROT-LBPRGKRZSA-N -1 3 358.872 3.215 20 0 FGADHM Cc1cc(NC(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)ccc1F ZINC000171320167 495820461 /nfs/dbraw/zinc/82/04/61/495820461.db2.gz RKYXEDJCCLBQEF-UHFFFAOYSA-N -1 3 366.396 3.159 20 0 FGADHM O=C(Cc1ccc(Br)cc1[O-])N1CC[C@@H](c2cccnc2)C1 ZINC000580648935 505805961 /nfs/dbraw/zinc/80/59/61/505805961.db2.gz GJKTYAPTTABFFB-CQSZACIVSA-N -1 3 361.239 3.108 20 0 FGADHM COc1cc(C(=O)[N-]c2cccc(C(=O)N(C)c3ccccc3)c2)on1 ZINC000155130786 495847906 /nfs/dbraw/zinc/84/79/06/495847906.db2.gz WBXVNOSNOFRSJX-UHFFFAOYSA-N -1 3 351.362 3.212 20 0 FGADHM C[C@@H]1Oc2ccccc2[C@H]1[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC000568927641 505809770 /nfs/dbraw/zinc/80/97/70/505809770.db2.gz LCKGZPWIHWHLKQ-BONVTDFDSA-N -1 3 373.352 3.386 20 0 FGADHM CCc1c(C(=O)NCc2ccc([O-])c(F)c2)cnn1-c1ccc(OC)cc1 ZINC000186178328 495885829 /nfs/dbraw/zinc/88/58/29/495885829.db2.gz ZSTXWXWYDVGKGO-UHFFFAOYSA-N -1 3 369.396 3.218 20 0 FGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H](c2cccnc2)C(C)C)c1 ZINC000177021554 495887832 /nfs/dbraw/zinc/88/78/32/495887832.db2.gz UHOFILLJXAXAOW-HNNXBMFYSA-N -1 3 368.886 3.462 20 0 FGADHM CCCCn1cc(C(=O)Nc2nnc(-c3c(F)cccc3F)[n-]2)c(C)n1 ZINC000580685300 505813469 /nfs/dbraw/zinc/81/34/69/505813469.db2.gz YKFLIHQWRSCZKH-UHFFFAOYSA-N -1 3 360.368 3.307 20 0 FGADHM CCCCn1cc(C(=O)Nc2nc(-c3c(F)cccc3F)n[n-]2)c(C)n1 ZINC000580685300 505813472 /nfs/dbraw/zinc/81/34/72/505813472.db2.gz YKFLIHQWRSCZKH-UHFFFAOYSA-N -1 3 360.368 3.307 20 0 FGADHM CCCCn1cc(C(=O)Nc2n[n-]c(-c3c(F)cccc3F)n2)c(C)n1 ZINC000580685300 505813475 /nfs/dbraw/zinc/81/34/75/505813475.db2.gz YKFLIHQWRSCZKH-UHFFFAOYSA-N -1 3 360.368 3.307 20 0 FGADHM O=C(CSC[C@H]1CCCCO1)NCc1ccc([O-])c(Br)c1 ZINC000151627855 495898353 /nfs/dbraw/zinc/89/83/53/495898353.db2.gz VHDHSMPXGDWDAU-GFCCVEGCSA-N -1 3 374.300 3.073 20 0 FGADHM O=C1[N-]C(=O)C(=CN[C@@H](c2nccs2)c2ccccc2)c2ccccc21 ZINC000171519696 495909921 /nfs/dbraw/zinc/90/99/21/495909921.db2.gz GTUHJRDXNKEOCI-NWNNTGRJSA-N -1 3 361.426 3.133 20 0 FGADHM Cc1ccc(CCC(=O)NCC(=O)N2CC[C@H](C)c3cccc([O-])c32)cc1 ZINC000186258658 495917951 /nfs/dbraw/zinc/91/79/51/495917951.db2.gz PENGDTXJVQQTCN-INIZCTEOSA-N -1 3 366.461 3.290 20 0 FGADHM CC(=O)Nc1ccc(S(=O)(=O)[N-][C@H](CC(C)(C)C)C(F)(F)F)cc1 ZINC000183298355 495920504 /nfs/dbraw/zinc/92/05/04/495920504.db2.gz NONVPYDXMZUAKQ-CYBMUJFWSA-N -1 3 366.405 3.290 20 0 FGADHM COC(=O)c1cc(C)nc2nc(S[C@H](C)c3cccc(F)c3)[n-]c(=O)c21 ZINC000171553960 495924903 /nfs/dbraw/zinc/92/49/03/495924903.db2.gz WHSPXBYFGYGQBZ-SNVBAGLBSA-N -1 3 373.409 3.406 20 0 FGADHM CC1(C)C[C@@H]([N-]S(=O)(=O)c2ccccc2C(F)(F)F)C(C)(C)O1 ZINC000183310236 495925416 /nfs/dbraw/zinc/92/54/16/495925416.db2.gz HCFAOTIHLAXNDK-GFCCVEGCSA-N -1 3 351.390 3.330 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N(C)[C@@H](C)c2ccc(F)cc2)c([O-])c1 ZINC000183334821 495936204 /nfs/dbraw/zinc/93/62/04/495936204.db2.gz JNDJCCBPPGGTBR-AWEZNQCLSA-N -1 3 358.413 3.179 20 0 FGADHM CC[C@H](C(=O)Nc1nnc(SCCO)[n-]1)c1cccc(C(F)(F)F)c1 ZINC000155381557 495940370 /nfs/dbraw/zinc/94/03/70/495940370.db2.gz WQSJQFHIQLJBRW-NSHDSACASA-N -1 3 374.388 3.040 20 0 FGADHM CC[C@H](C(=O)Nc1nc(SCCO)n[n-]1)c1cccc(C(F)(F)F)c1 ZINC000155381557 495940376 /nfs/dbraw/zinc/94/03/76/495940376.db2.gz WQSJQFHIQLJBRW-NSHDSACASA-N -1 3 374.388 3.040 20 0 FGADHM CC[C@H](C(=O)Nc1n[n-]c(SCCO)n1)c1cccc(C(F)(F)F)c1 ZINC000155381557 495940380 /nfs/dbraw/zinc/94/03/80/495940380.db2.gz WQSJQFHIQLJBRW-NSHDSACASA-N -1 3 374.388 3.040 20 0 FGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)[C@H]1C[C@H]1c1c(F)cccc1Cl ZINC000151767022 495940320 /nfs/dbraw/zinc/94/03/20/495940320.db2.gz BEWAWYMVBKIVBD-OLZOCXBDSA-N -1 3 371.803 3.079 20 0 FGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)[C@H]1C[C@H]1c1c(F)cccc1Cl ZINC000151767022 495940328 /nfs/dbraw/zinc/94/03/28/495940328.db2.gz BEWAWYMVBKIVBD-OLZOCXBDSA-N -1 3 371.803 3.079 20 0 FGADHM CC[C@H](CNC(=O)c1c[n-]c2ccccc2c1=O)Oc1ccccc1F ZINC000177179747 495963449 /nfs/dbraw/zinc/96/34/49/495963449.db2.gz XWNLCVRSJWHWKI-CYBMUJFWSA-N -1 3 354.381 3.255 20 0 FGADHM Cc1cc([N-]C(=O)[C@@H](C)Nc2cnn(Cc3ccc(Cl)cc3)c2)on1 ZINC000186379115 495974071 /nfs/dbraw/zinc/97/40/71/495974071.db2.gz HQVFHNRFEDIWSC-GFCCVEGCSA-N -1 3 359.817 3.320 20 0 FGADHM COC(=O)c1c(F)ccc([N-]S(=O)(=O)c2cc(C)c(F)c(C)c2)c1F ZINC000577908681 505815809 /nfs/dbraw/zinc/81/58/09/505815809.db2.gz FVYDCXOGOASDBM-UHFFFAOYSA-N -1 3 373.352 3.308 20 0 FGADHM Cc1nc(-c2ccc(N3CCC[C@H](C(F)(F)F)C3)nc2)[n-]c(=O)c1C ZINC000171675204 495985315 /nfs/dbraw/zinc/98/53/15/495985315.db2.gz PELASELDEPFJBU-ZDUSSCGKSA-N -1 3 352.360 3.227 20 0 FGADHM O=C(Nc1ncccc1[O-])[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000155533069 495986295 /nfs/dbraw/zinc/98/62/95/495986295.db2.gz JCDGYHSYLYSFGB-SNVBAGLBSA-N -1 3 366.204 3.086 20 0 FGADHM O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)c1cccc2nn[n-]c21 ZINC000183443519 495986467 /nfs/dbraw/zinc/98/64/67/495986467.db2.gz BXYCHWDQVUIQFZ-UHFFFAOYSA-N -1 3 363.421 3.226 20 0 FGADHM O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)c1cccc2[n-]nnc21 ZINC000183443519 495986471 /nfs/dbraw/zinc/98/64/71/495986471.db2.gz BXYCHWDQVUIQFZ-UHFFFAOYSA-N -1 3 363.421 3.226 20 0 FGADHM O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)c1cccc2n[n-]nc21 ZINC000183443519 495986475 /nfs/dbraw/zinc/98/64/75/495986475.db2.gz BXYCHWDQVUIQFZ-UHFFFAOYSA-N -1 3 363.421 3.226 20 0 FGADHM CCCCOc1ccc(C(=O)NCC(=O)Nc2c(C)cccc2[O-])cc1 ZINC000155574307 495999718 /nfs/dbraw/zinc/99/97/18/495999718.db2.gz SVRIRBIKTUREHB-UHFFFAOYSA-N -1 3 356.422 3.248 20 0 FGADHM O=S(=O)(CCc1ccccc1)[N-][C@H](c1nccs1)c1ccccc1 ZINC000171713207 496001867 /nfs/dbraw/zinc/00/18/67/496001867.db2.gz SMJSXZUJELPHGT-KRWDZBQOSA-N -1 3 358.488 3.395 20 0 FGADHM CCc1ccc(CC)c(NC(=O)c2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)c1 ZINC000155584993 496003360 /nfs/dbraw/zinc/00/33/60/496003360.db2.gz OPMWVVHZXARXCF-NRFANRHFSA-N -1 3 365.433 3.118 20 0 FGADHM CCO[C@@H](C)c1nc(CN(C)C(=O)c2cccc(OC)c2[O-])cs1 ZINC000174549127 496004907 /nfs/dbraw/zinc/00/49/07/496004907.db2.gz ZHIMSYZQZNFWOS-NSHDSACASA-N -1 3 350.440 3.227 20 0 FGADHM CN(C)CCN(Cc1cccc(F)c1)C(=O)c1cc(F)c(F)c([O-])c1F ZINC000183507584 496014184 /nfs/dbraw/zinc/01/41/84/496014184.db2.gz XDPUOKZNEKVGAO-UHFFFAOYSA-N -1 3 370.346 3.153 20 0 FGADHM CC(C)CCN(CCC(C)C)C(=O)c1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000151998492 496016836 /nfs/dbraw/zinc/01/68/36/496016836.db2.gz OEUKQXKPFGTEKM-OAQYLSRUSA-N -1 3 373.497 3.276 20 0 FGADHM O=C1CCCc2cc(S(=O)(=O)[N-]c3cc(F)c(F)cc3F)ccc2N1 ZINC000171751204 496020318 /nfs/dbraw/zinc/02/03/18/496020318.db2.gz GUCAKLZMVVJULM-UHFFFAOYSA-N -1 3 370.352 3.180 20 0 FGADHM CN1CCC(Nc2ccccc2NC(=O)c2cc(F)c([O-])c(F)c2)CC1 ZINC000183544325 496025530 /nfs/dbraw/zinc/02/55/30/496025530.db2.gz MBPYQCYZNOFECP-UHFFFAOYSA-N -1 3 361.392 3.429 20 0 FGADHM CSc1nc(C)c(CCC(=O)N2CCCc3cccc([O-])c32)c(C)n1 ZINC000155657499 496027274 /nfs/dbraw/zinc/02/72/74/496027274.db2.gz JDZJODXFLUFWQK-UHFFFAOYSA-N -1 3 357.479 3.433 20 0 FGADHM COC[C@@H]([N-]S(=O)(=O)Cc1ccc(F)c(Cl)c1)c1ccc(C)o1 ZINC000155668292 496030308 /nfs/dbraw/zinc/03/03/08/496030308.db2.gz SNAAMRTYDOXFLU-CQSZACIVSA-N -1 3 361.822 3.188 20 0 FGADHM Cc1nc(C)c(CCC(=O)Nc2ccc(C(=O)C3CCC3)cc2)c(=O)[n-]1 ZINC000577928226 505819634 /nfs/dbraw/zinc/81/96/34/505819634.db2.gz DIKOJWXTZDBHIU-UHFFFAOYSA-N -1 3 353.422 3.353 20 0 FGADHM COc1cccc([C@@H]2[C@H](NC(=O)c3ccc([O-])cc3F)CCN2C2CC2)c1 ZINC000155743485 496053866 /nfs/dbraw/zinc/05/38/66/496053866.db2.gz PYNSUEJUEDPNMS-WOJBJXKFSA-N -1 3 370.424 3.248 20 0 FGADHM CCOC(=O)c1ccsc1[N-]C(=O)C(=O)N(CC(C)C)CC(C)C ZINC000174685494 496062040 /nfs/dbraw/zinc/06/20/40/496062040.db2.gz BGYZJSXZQFQEJG-UHFFFAOYSA-N -1 3 354.472 3.004 20 0 FGADHM O=C(NCCc1ccc(Br)s1)NCc1ccc([O-])c(F)c1 ZINC000155774350 496064258 /nfs/dbraw/zinc/06/42/58/496064258.db2.gz KANAUGAAFCWCSS-UHFFFAOYSA-N -1 3 373.247 3.397 20 0 FGADHM Cc1cc(N2CCOCC2)ccc1NC([O-])=NOCc1ccc(F)cc1 ZINC000183692152 496082056 /nfs/dbraw/zinc/08/20/56/496082056.db2.gz JIQWBFKBMFPBHZ-UHFFFAOYSA-N -1 3 359.401 3.224 20 0 FGADHM Cc1cc(N2CCOCC2)ccc1NC(=O)[N-]OCc1ccc(F)cc1 ZINC000183692152 496082061 /nfs/dbraw/zinc/08/20/61/496082061.db2.gz JIQWBFKBMFPBHZ-UHFFFAOYSA-N -1 3 359.401 3.224 20 0 FGADHM CCOC(=O)c1ccsc1[N-]C(=O)C(=O)N1CCC[C@H]1C1CCCC1 ZINC000174763915 496097209 /nfs/dbraw/zinc/09/72/09/496097209.db2.gz KJGAXZDQIPXTMO-AWEZNQCLSA-N -1 3 364.467 3.045 20 0 FGADHM COCc1c(Br)cccc1NC([O-])=NO[C@@H]1CCCCO1 ZINC000155945339 496114234 /nfs/dbraw/zinc/11/42/34/496114234.db2.gz RRZAYUJZINGROD-CYBMUJFWSA-N -1 3 359.220 3.175 20 0 FGADHM COCc1c(Br)cccc1NC(=O)[N-]O[C@@H]1CCCCO1 ZINC000155945339 496114238 /nfs/dbraw/zinc/11/42/38/496114238.db2.gz RRZAYUJZINGROD-CYBMUJFWSA-N -1 3 359.220 3.175 20 0 FGADHM CC(C)[C@@H](C)C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000171976106 496114788 /nfs/dbraw/zinc/11/47/88/496114788.db2.gz WVXFDXRUZQQJOQ-SECBINFHSA-N -1 3 352.378 3.308 20 0 FGADHM CN1CCC(N(Cc2ccco2)C(=O)c2ccc3[n-]c(=S)oc3c2)CC1 ZINC000174826334 496122057 /nfs/dbraw/zinc/12/20/57/496122057.db2.gz MSJXJOHUWWXOPW-UHFFFAOYSA-N -1 3 371.462 3.446 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)c(F)c1 ZINC000180747735 496129038 /nfs/dbraw/zinc/12/90/38/496129038.db2.gz 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496161032 /nfs/dbraw/zinc/16/10/32/496161032.db2.gz VNSRYFBMVJMRDI-UHFFFAOYSA-N -1 3 373.363 3.391 20 0 FGADHM CCc1cccc(C)c1NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000177731101 496176246 /nfs/dbraw/zinc/17/62/46/496176246.db2.gz MGZISRGLHRVFEZ-UHFFFAOYSA-N -1 3 372.899 3.189 20 0 FGADHM CC[C@@H](NC(=O)c1cc(S(=O)(=O)[N-]C)oc1C)c1ccc(Cl)cc1 ZINC000177737645 496178160 /nfs/dbraw/zinc/17/81/60/496178160.db2.gz WHTAHNWNLWIMLA-CQSZACIVSA-N -1 3 370.858 3.031 20 0 FGADHM C[C@@H](c1ncc(C(C)(C)C)o1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000177745143 496181232 /nfs/dbraw/zinc/18/12/32/496181232.db2.gz PETDJXUSKBDKFO-AWEZNQCLSA-N -1 3 357.454 3.197 20 0 FGADHM CC(C)Cn1cnc(S(=O)(=O)[N-][C@H]2CCSc3ccccc32)c1 ZINC000174964189 496185286 /nfs/dbraw/zinc/18/52/86/496185286.db2.gz LDIJBIVKZCZCDA-AWEZNQCLSA-N -1 3 351.497 3.055 20 0 FGADHM CC(C)c1ncc(Cl)c(C(=O)[N-]c2n[nH]c(Cc3cccc(F)c3)n2)n1 ZINC000180890565 496188341 /nfs/dbraw/zinc/18/83/41/496188341.db2.gz WNMJKAPPASAXHY-UHFFFAOYSA-N -1 3 374.807 3.354 20 0 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/nfs/dbraw/zinc/21/04/40/496210440.db2.gz HPLNAYVOJVKXGQ-LLVKDONJSA-N -1 3 355.316 3.261 20 0 FGADHM O=C([O-])CN(C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)c1ccccc1 ZINC000156312265 496212432 /nfs/dbraw/zinc/21/24/32/496212432.db2.gz RIZRVVISKCVFRJ-QGZVFWFLSA-N -1 3 370.424 3.156 20 0 FGADHM Cc1nc(C)c(CCC(=O)N2CCC[C@H]2CCCc2ccccc2)c(=O)[n-]1 ZINC000156328835 496217555 /nfs/dbraw/zinc/21/75/55/496217555.db2.gz DHKNOLYIRVXZAL-LJQANCHMSA-N -1 3 367.493 3.333 20 0 FGADHM C[C@H](C(=O)Nc1cccc(Br)c1)[S@](=O)c1cccc([O-])c1 ZINC000184048751 496218050 /nfs/dbraw/zinc/21/80/50/496218050.db2.gz ICHNYUAWNMOZMI-UZJPJQLHSA-N -1 3 368.252 3.290 20 0 FGADHM COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)[S@](=O)c1cccc([O-])c1 ZINC000184076935 496228148 /nfs/dbraw/zinc/22/81/48/496228148.db2.gz SCORZVHHCICOSU-JNDILOIQSA-N -1 3 367.854 3.497 20 0 FGADHM CCCN(CCC)C(=O)C(=O)[N-]c1scc(C2CC2)c1C(=O)OCC ZINC000175074697 496238287 /nfs/dbraw/zinc/23/82/87/496238287.db2.gz FUBHACNQLMYAMT-UHFFFAOYSA-N -1 3 366.483 3.389 20 0 FGADHM COc1ccccc1[C@H]([N-]S(=O)(=O)c1cccc(F)c1)c1ccco1 ZINC000152738286 496242060 /nfs/dbraw/zinc/24/20/60/496242060.db2.gz WQNDSVKPIJOPFE-SFHVURJKSA-N -1 3 361.394 3.495 20 0 FGADHM CCCCOCCCNC(=O)NCc1ccc([O-])c(Br)c1 ZINC000161903176 496259401 /nfs/dbraw/zinc/25/94/01/496259401.db2.gz KZPCLIGKFQRCFK-UHFFFAOYSA-N -1 3 359.264 3.161 20 0 FGADHM Cc1cccc(C(C)C)c1NC(=O)c1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000177942221 496259963 /nfs/dbraw/zinc/25/99/63/496259963.db2.gz CDZCZUIIUXHRQT-NRFANRHFSA-N -1 3 365.433 3.425 20 0 FGADHM CSc1ccc(O[C@@H](C)C(=O)[N-]c2nncn2-c2ccccc2)cc1 ZINC000181098782 496270500 /nfs/dbraw/zinc/27/05/00/496270500.db2.gz XTQXSJSUYVZPRX-ZDUSSCGKSA-N -1 3 354.435 3.395 20 0 FGADHM O=C(N[C@H]1CCO[C@H]1c1ccc(Cl)cc1)c1c[n-]nc1-c1ccccn1 ZINC000571870606 505833916 /nfs/dbraw/zinc/83/39/16/505833916.db2.gz VGORKFPNIQGQSW-WMZOPIPTSA-N -1 3 368.824 3.385 20 0 FGADHM O=C(Nc1ccc(COc2ccccc2)cc1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000181166330 496295501 /nfs/dbraw/zinc/29/55/01/496295501.db2.gz VCYGTIJUEACYFM-UHFFFAOYSA-N -1 3 372.380 3.402 20 0 FGADHM Cc1cccc(S(=O)(=O)[N-]C2CCN(Cc3ccccc3)CC2)c1F ZINC000181172941 496297692 /nfs/dbraw/zinc/29/76/92/496297692.db2.gz MWSZDRIIQZSIBX-UHFFFAOYSA-N -1 3 362.470 3.077 20 0 FGADHM CCN1CCC[C@@H]1C[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000162119972 496299195 /nfs/dbraw/zinc/29/91/95/496299195.db2.gz ZNLYLWJOSBDKAY-SNVBAGLBSA-N -1 3 370.824 3.121 20 0 FGADHM O=C(c1cccc(NC([O-])=NOCCC(F)(F)F)c1)N1CCCCC1 ZINC000156639988 496300378 /nfs/dbraw/zinc/30/03/78/496300378.db2.gz BCEYOZZQBYSXRC-UHFFFAOYSA-N -1 3 359.348 3.318 20 0 FGADHM O=C([N-]OCCC(F)(F)F)Nc1cccc(C(=O)N2CCCCC2)c1 ZINC000156639988 496300381 /nfs/dbraw/zinc/30/03/81/496300381.db2.gz BCEYOZZQBYSXRC-UHFFFAOYSA-N -1 3 359.348 3.318 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]Cc2ncccc2F)c(Cl)c1Cl ZINC000156670828 496307686 /nfs/dbraw/zinc/30/76/86/496307686.db2.gz GRLGREDBNJTVFP-UHFFFAOYSA-N -1 3 365.213 3.015 20 0 FGADHM O=C(NCCc1cccs1)NCc1ccc([O-])c(Br)c1 ZINC000178104082 496331936 /nfs/dbraw/zinc/33/19/36/496331936.db2.gz SAKFXQFZWXKEJT-UHFFFAOYSA-N -1 3 355.257 3.258 20 0 FGADHM Cc1csc(C(C)(C)[N-]S(=O)(=O)c2cnc(-c3ccccc3)nc2)n1 ZINC000187233343 496352398 /nfs/dbraw/zinc/35/23/98/496352398.db2.gz QRDURUSVLRKIBK-UHFFFAOYSA-N -1 3 374.491 3.122 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)c3cnn(CCC(C)C)c3C)[n-]c21 ZINC000162450693 496354803 /nfs/dbraw/zinc/35/48/03/496354803.db2.gz UKAISWRRZBREDP-UHFFFAOYSA-N -1 3 369.425 3.153 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cnn(CCC(C)C)c3C)nc21 ZINC000162450693 496354810 /nfs/dbraw/zinc/35/48/10/496354810.db2.gz UKAISWRRZBREDP-UHFFFAOYSA-N -1 3 369.425 3.153 20 0 FGADHM COC[C@@H]([N-]S(=O)(=O)Cc1ccccc1C(F)(F)F)c1ccco1 ZINC000175359681 496356205 /nfs/dbraw/zinc/35/62/05/496356205.db2.gz AKLFKDWLPIOJAE-CYBMUJFWSA-N -1 3 363.357 3.106 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]c2cc3c(cc2F)NC(=O)CC3)cc1Cl ZINC000156978738 496377596 /nfs/dbraw/zinc/37/75/96/496377596.db2.gz DUKAVAYVADGKEL-UHFFFAOYSA-N -1 3 368.817 3.473 20 0 FGADHM Cn1cnnc1[N-]C(=O)c1cc2sc(Nc3ccccc3)nc2s1 ZINC000157092412 496403196 /nfs/dbraw/zinc/40/31/96/496403196.db2.gz DDKBHWDTNBTQKH-UHFFFAOYSA-N -1 3 356.436 3.482 20 0 FGADHM O=S(=O)([N-][C@@H]1CCO[C@H](C2CC2)C1)c1cc(C(F)(F)F)ccc1F ZINC000162726912 496403596 /nfs/dbraw/zinc/40/35/96/496403596.db2.gz JCMZDUHGTGWCCE-YPMHNXCESA-N -1 3 367.364 3.080 20 0 FGADHM O=S(=O)([N-][C@@H]1CCO[C@H](C2CC2)C1)c1ccc(Cl)c(Cl)c1 ZINC000162736627 496404661 /nfs/dbraw/zinc/40/46/61/496404661.db2.gz VZPWAULAPRVYCA-YGRLFVJLSA-N -1 3 350.267 3.229 20 0 FGADHM CCC1(C[N-]S(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCOC2)CC1 ZINC000187364818 496411221 /nfs/dbraw/zinc/41/12/21/496411221.db2.gz CACBMJXBKCEFHF-CYBMUJFWSA-N -1 3 373.902 3.224 20 0 FGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@H](C)C(C)(C)c1ccccc1 ZINC000157172287 496421400 /nfs/dbraw/zinc/42/14/00/496421400.db2.gz RKIBJLMRNHDFLH-GFCCVEGCSA-N -1 3 367.492 3.179 20 0 FGADHM CC[C@H](CN(CC)C(=O)c1ccc2c(c1)C(=O)[N-]C2=O)c1ccccc1 ZINC000187419032 496432520 /nfs/dbraw/zinc/43/25/20/496432520.db2.gz UAZGAFPVGNWIRU-CQSZACIVSA-N -1 3 350.418 3.226 20 0 FGADHM C[C@@H](NC(=O)NCc1ccc([O-])c(F)c1)c1noc(Cc2ccccc2)n1 ZINC000175566819 496445193 /nfs/dbraw/zinc/44/51/93/496445193.db2.gz SJODOSNXAOTBHA-GFCCVEGCSA-N -1 3 370.384 3.066 20 0 FGADHM O=C(N[C@@H]1CC[C@H](c2ccc(Cl)cc2)C1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000578041875 505848244 /nfs/dbraw/zinc/84/82/44/505848244.db2.gz JHSYEPYKOXLVQJ-SWLSCSKDSA-N -1 3 368.820 3.290 20 0 FGADHM CC[C@H]1[C@@H](C)CCN1C(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000187469162 496455017 /nfs/dbraw/zinc/45/50/17/496455017.db2.gz GTXZOBLOTRZVPJ-ZBEGNZNMSA-N -1 3 357.410 3.202 20 0 FGADHM O=S(=O)([N-][C@@H]1CCO[C@H]1c1ccc(Cl)cc1)c1ccccc1F ZINC000181599141 496463420 /nfs/dbraw/zinc/46/34/20/496463420.db2.gz ACMJKPJQVJCROI-ZBFHGGJFSA-N -1 3 355.818 3.288 20 0 FGADHM CCc1cc(C(=O)Nc2ccc(F)c([N-]S(C)(=O)=O)c2)oc1CC ZINC000178469486 496467274 /nfs/dbraw/zinc/46/72/74/496467274.db2.gz RCBBDKLCJGJIII-UHFFFAOYSA-N -1 3 354.403 3.167 20 0 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O=c1nc(Cc2noc(-c3ccncc3)n2)[n-]c2scc(C3CC3)c21 ZINC000580922763 505869028 /nfs/dbraw/zinc/86/90/28/505869028.db2.gz ATRIEEPTBHMPGM-UHFFFAOYSA-N -1 3 351.391 3.310 20 0 FGADHM CCC1(CNC(=O)NCc2ccc([O-])c(Br)c2)CCOCC1 ZINC000268985300 496842860 /nfs/dbraw/zinc/84/28/60/496842860.db2.gz PPMKEABJXGMDIF-UHFFFAOYSA-N -1 3 371.275 3.161 20 0 FGADHM O=S(=O)([N-]c1cc2c(cc1Cl)OCCCO2)c1cccc(F)c1 ZINC000247360565 496843935 /nfs/dbraw/zinc/84/39/35/496843935.db2.gz ZHAJHDOHNUJNPD-UHFFFAOYSA-N -1 3 357.790 3.441 20 0 FGADHM COc1ccc(CN[C@H](CCO)c2ccccc2)c(Br)c1[O-] ZINC000273601372 496850789 /nfs/dbraw/zinc/85/07/89/496850789.db2.gz FZLTWKOGAMQWLF-CQSZACIVSA-N -1 3 366.255 3.377 20 0 FGADHM CC(C)c1ccc(-n2cc([O-])c(C(=O)N3C[C@@H]4CCCN4C[C@@H]3C)n2)cc1 ZINC000247437463 496858216 /nfs/dbraw/zinc/85/82/16/496858216.db2.gz MXXMOERFQMISBJ-YJBOKZPZSA-N -1 3 368.481 3.010 20 0 FGADHM COC(=O)CCN(CC(C)C)C(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000269111124 496873496 /nfs/dbraw/zinc/87/34/96/496873496.db2.gz AUQJBYKQLQFPHL-UHFFFAOYSA-N -1 3 362.401 3.049 20 0 FGADHM O=C(Nc1ccc(NC[C@@H]2CCCO2)c(F)c1)c1cc(F)cc2[n-]nnc21 ZINC000277778001 496883741 /nfs/dbraw/zinc/88/37/41/496883741.db2.gz UCEXFRGZGQRSAL-LBPRGKRZSA-N -1 3 373.363 3.079 20 0 FGADHM O=C(Nc1ccc(NC[C@@H]2CCCO2)c(F)c1)c1cc(F)cc2nn[n-]c21 ZINC000277778001 496883748 /nfs/dbraw/zinc/88/37/48/496883748.db2.gz UCEXFRGZGQRSAL-LBPRGKRZSA-N -1 3 373.363 3.079 20 0 FGADHM O=C(Nc1ccc(NC[C@@H]2CCCO2)c(F)c1)c1cc(F)cc2n[n-]nc21 ZINC000277778001 496883751 /nfs/dbraw/zinc/88/37/51/496883751.db2.gz UCEXFRGZGQRSAL-LBPRGKRZSA-N -1 3 373.363 3.079 20 0 FGADHM COc1ccc(CN(C[C@H]2CCOC2)C2CC2)c(Br)c1[O-] ZINC000273736190 496889121 /nfs/dbraw/zinc/88/91/21/496889121.db2.gz LCSWZPUMOCORDW-LLVKDONJSA-N -1 3 356.260 3.164 20 0 FGADHM C[C@@H]1C[C@@]2(CCO1)CN(Cc1cc(=O)[n-]c(-c3ccccc3)n1)C[C@H](C)O2 ZINC000569196299 505874277 /nfs/dbraw/zinc/87/42/77/505874277.db2.gz LSZKYEXEUIWSGU-XFQAVAEZSA-N -1 3 369.465 3.008 20 0 FGADHM COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)c1cccc2nn[n-]c21 ZINC000191820309 496901019 /nfs/dbraw/zinc/90/10/19/496901019.db2.gz ILUVVSJXCBCZEJ-SNVBAGLBSA-N -1 3 360.801 3.277 20 0 FGADHM COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)c1cccc2[n-]nnc21 ZINC000191820309 496901023 /nfs/dbraw/zinc/90/10/23/496901023.db2.gz ILUVVSJXCBCZEJ-SNVBAGLBSA-N -1 3 360.801 3.277 20 0 FGADHM COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)c1cccc2n[n-]nc21 ZINC000191820309 496901026 /nfs/dbraw/zinc/90/10/26/496901026.db2.gz ILUVVSJXCBCZEJ-SNVBAGLBSA-N -1 3 360.801 3.277 20 0 FGADHM O=C1C[C@H]2CC[C@@H](C1)N2Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000580938578 505872879 /nfs/dbraw/zinc/87/28/79/505872879.db2.gz MFEUQOYICBPCMH-PHIMTYICSA-N -1 3 355.419 3.353 20 0 FGADHM CN1CC[C@H](C[N-]S(=O)(=O)c2ccco2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000188795539 496911345 /nfs/dbraw/zinc/91/13/45/496911345.db2.gz AHYZIKKHHXZCGB-WBMJQRKESA-N -1 3 372.849 3.043 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N3CCC[C@H](c4ncc[nH]4)C3)c[n-]c12 ZINC000269306567 496915168 /nfs/dbraw/zinc/91/51/68/496915168.db2.gz ZKHOZZGASNNCOZ-LBPRGKRZSA-N -1 3 354.385 3.131 20 0 FGADHM O=S(=O)([N-]c1ccccc1Br)c1cccc2c1OCCO2 ZINC000195437685 496921981 /nfs/dbraw/zinc/92/19/81/496921981.db2.gz FGHLGKPFNOUNPE-UHFFFAOYSA-N -1 3 370.224 3.021 20 0 FGADHM COc1ccc(CN[C@]2(C)CCO[C@H]2C2CC2)c(Br)c1[O-] ZINC000273829679 496922665 /nfs/dbraw/zinc/92/26/65/496922665.db2.gz PQAVLYWAFLDCOU-JKSUJKDBSA-N -1 3 356.260 3.211 20 0 FGADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCOC2)cc1 ZINC000247874942 496922743 /nfs/dbraw/zinc/92/27/43/496922743.db2.gz NRRFDSOFOQPDNG-OAHLLOKOSA-N -1 3 374.462 3.079 20 0 FGADHM O=S(=O)([N-]Cc1ccc(OCc2ccccc2F)cc1)c1ccco1 ZINC000188835297 496922841 /nfs/dbraw/zinc/92/28/41/496922841.db2.gz XXGYIRYIKYCOET-UHFFFAOYSA-N -1 3 361.394 3.476 20 0 FGADHM COc1cccc(CN(CCN(C)C)C(=O)c2ccc(Cl)cc2[O-])c1 ZINC000191948018 496939864 /nfs/dbraw/zinc/93/98/64/496939864.db2.gz ZVPKHVPBMPOGES-UHFFFAOYSA-N -1 3 362.857 3.258 20 0 FGADHM CC(C)[C@@H](O)C(C)(C)CNC(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000188897124 496939910 /nfs/dbraw/zinc/93/99/10/496939910.db2.gz YMGPYTSGWDPHAI-HXUWFJFHSA-N -1 3 369.461 3.396 20 0 FGADHM COc1cc(-c2noc(CNC(=O)CCc3ccc(C)cc3)n2)ccc1[O-] ZINC000264599633 496940764 /nfs/dbraw/zinc/94/07/64/496940764.db2.gz KZVSRCBNKPMLMJ-UHFFFAOYSA-N -1 3 367.405 3.008 20 0 FGADHM CCCCc1nc(C(=O)OCC)c(NC(=O)c2ccc(F)cc2F)[n-]1 ZINC000191962169 496944714 /nfs/dbraw/zinc/94/47/14/496944714.db2.gz OSEBGJREEWPLDZ-UHFFFAOYSA-N -1 3 351.353 3.460 20 0 FGADHM CCCCc1nc(NC(=O)c2ccc(F)cc2F)c(C(=O)OCC)[n-]1 ZINC000191962169 496944723 /nfs/dbraw/zinc/94/47/23/496944723.db2.gz OSEBGJREEWPLDZ-UHFFFAOYSA-N -1 3 351.353 3.460 20 0 FGADHM [O-]c1c(-c2nc([C@H]3CN4CCCC[C@H]4CO3)no2)ccc2c1CCCC2 ZINC000277944947 496945482 /nfs/dbraw/zinc/94/54/82/496945482.db2.gz FEXCPIXDHUFOHC-WMLDXEAASA-N -1 3 355.438 3.247 20 0 FGADHM CC(C)CC[C@@H](NC(=O)C(=O)[N-]c1cnns1)c1ccc(Cl)cc1 ZINC000191991585 496956672 /nfs/dbraw/zinc/95/66/72/496956672.db2.gz NGWQMVHVJPLRHT-CYBMUJFWSA-N -1 3 366.874 3.424 20 0 FGADHM O=c1[nH]c(CC(F)(F)F)c([O-])n1-c1cccc(N2CCCCCC2)c1 ZINC000277981014 496959561 /nfs/dbraw/zinc/95/95/61/496959561.db2.gz JDECNXQQHPVKCL-AWEZNQCLSA-N -1 3 355.360 3.444 20 0 FGADHM C[C@H](NC(=O)C(=O)[N-]c1cnns1)c1ccc(Oc2ccccc2)cc1 ZINC000192007617 496962076 /nfs/dbraw/zinc/96/20/76/496962076.db2.gz IZRHZJJBPZSLMD-LBPRGKRZSA-N -1 3 368.418 3.146 20 0 FGADHM O=C(CCNC(=O)c1cc([O-])ccc1C(F)(F)F)Nc1ccccc1 ZINC000189007306 496976460 /nfs/dbraw/zinc/97/64/60/496976460.db2.gz OZBPVLVEDPGZBQ-UHFFFAOYSA-N -1 3 352.312 3.170 20 0 FGADHM C[C@H](c1cnn(C)c1)N(C)C(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000189021906 496981520 /nfs/dbraw/zinc/98/15/20/496981520.db2.gz SUUAOVMRDRBCIK-CQSZACIVSA-N -1 3 363.417 3.190 20 0 FGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C[C@H]2C=CCCC2)cc1OC ZINC000189031651 496984514 /nfs/dbraw/zinc/98/45/14/496984514.db2.gz SCNWWEUJQYAUBY-ZDUSSCGKSA-N -1 3 352.456 3.142 20 0 FGADHM COc1nc(C)c(Br)cc1C(=O)Nc1cccc([O-])c1F ZINC000189055930 496993347 /nfs/dbraw/zinc/99/33/47/496993347.db2.gz MTFVZDQUGGXOQM-UHFFFAOYSA-N -1 3 355.163 3.258 20 0 FGADHM CCc1cc(=O)[n-]c(CN[C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)n1 ZINC000192096882 496993641 /nfs/dbraw/zinc/99/36/41/496993641.db2.gz PMJVILJBTHMANE-YOEHRIQHSA-N -1 3 351.809 3.157 20 0 FGADHM CC1(C)C[C@H]1C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000269826438 497008745 /nfs/dbraw/zinc/00/87/45/497008745.db2.gz QYKZRAKBHYQDES-ZDUSSCGKSA-N -1 3 350.846 3.269 20 0 FGADHM CC[C@]1(CO)CCCN1C(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000189153408 497026151 /nfs/dbraw/zinc/02/61/51/497026151.db2.gz YOXJNHKRPZADDP-OAQYLSRUSA-N -1 3 355.434 3.348 20 0 FGADHM Cc1noc([C@H]2CCCN(C(=O)c3cc([O-])ccc3C(F)(F)F)C2)n1 ZINC000189199382 497041923 /nfs/dbraw/zinc/04/19/23/497041923.db2.gz MBUUEBXBXLKYRQ-JTQLQIEISA-N -1 3 355.316 3.122 20 0 FGADHM Cc1nc(-c2cccc(-n3c([O-])c(CC(F)(F)F)[nH]c3=O)c2)oc1C ZINC000278262490 497055565 /nfs/dbraw/zinc/05/55/65/497055565.db2.gz URGVLDVJVKWMMP-LBPRGKRZSA-N -1 3 353.300 3.336 20 0 FGADHM Cc1ccccc1Cc1noc(CN2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)n1 ZINC000248613582 497057964 /nfs/dbraw/zinc/05/79/64/497057964.db2.gz YIOUNSJIWBLQJY-IKGGRYGDSA-N -1 3 355.438 3.187 20 0 FGADHM Cc1cc(NC(=O)[C@H](C)SCC(=O)Nc2ccc(Cl)cc2[O-])no1 ZINC000270110968 497059355 /nfs/dbraw/zinc/05/93/55/497059355.db2.gz PYKLBXUHBFPBFW-VIFPVBQESA-N -1 3 369.830 3.041 20 0 FGADHM Cc1cc(NC(=O)[C@@H](C)SCC(=O)Nc2ccc(Cl)cc2[O-])no1 ZINC000270110965 497059595 /nfs/dbraw/zinc/05/95/95/497059595.db2.gz PYKLBXUHBFPBFW-SECBINFHSA-N -1 3 369.830 3.041 20 0 FGADHM Cc1cc(F)c(S(=O)(=O)[N-][C@@H](C)c2ccc([S@](C)=O)cc2)cc1F ZINC000270260597 497089311 /nfs/dbraw/zinc/08/93/11/497089311.db2.gz ZMGHNCOBSMCUAB-RULNZOCKSA-N -1 3 373.446 3.050 20 0 FGADHM O=S(=O)([N-]c1cccc2cc(Br)cnc21)N1CCCCC1 ZINC000227865012 497092750 /nfs/dbraw/zinc/09/27/50/497092750.db2.gz CRDSBXRWOBXYLF-UHFFFAOYSA-N -1 3 370.272 3.140 20 0 FGADHM CSC[C@](C)(O)C[N-]S(=O)(=O)c1c(C)c(Cl)cc(C)c1Cl ZINC000228584224 497095208 /nfs/dbraw/zinc/09/52/08/497095208.db2.gz QVJGNBWURYNUMW-CYBMUJFWSA-N -1 3 372.339 3.003 20 0 FGADHM O=S(=O)([N-]CC(C1CC1)C1CC1)c1ccc(Br)c(F)c1 ZINC000230629038 497105383 /nfs/dbraw/zinc/10/53/83/497105383.db2.gz APKZOGMPYAFZCV-UHFFFAOYSA-N -1 3 362.264 3.303 20 0 FGADHM Cc1cccc([O-])c1NC(=O)CCCC(=O)c1ccc2c(c1)OCCO2 ZINC000274494996 497111409 /nfs/dbraw/zinc/11/14/09/497111409.db2.gz KVYKKFOXCWQXKP-UHFFFAOYSA-N -1 3 355.390 3.464 20 0 FGADHM C[C@@H]1CCCN(Cc2cc(Br)cc3c2OCC3)[C@@H]1C(=O)[O-] ZINC000235394356 497114641 /nfs/dbraw/zinc/11/46/41/497114641.db2.gz AMMWFJVWMZVPON-YGRLFVJLSA-N -1 3 354.244 3.069 20 0 FGADHM O=S(=O)([N-][C@@H]1CCCSC1)c1ccc(Cl)c(Br)c1 ZINC000236055896 497115811 /nfs/dbraw/zinc/11/58/11/497115811.db2.gz SCUUUMXCGPLLCZ-MRVPVSSYSA-N -1 3 370.721 3.276 20 0 FGADHM Cc1nn(C)c(C)c1C[C@H](C)NC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000189435786 497117572 /nfs/dbraw/zinc/11/75/72/497117572.db2.gz LPCTXYJKNGYUNC-VIFPVBQESA-N -1 3 355.360 3.122 20 0 FGADHM O=C(CNC(=O)c1cccc([O-])c1)Nc1ccccc1N1CCCCCC1 ZINC000274564600 497125253 /nfs/dbraw/zinc/12/52/53/497125253.db2.gz ZUYKKRJRDLJAMK-UHFFFAOYSA-N -1 3 367.449 3.141 20 0 FGADHM CCc1c([N-]C(=O)c2cc(Cn3cc(C)cn3)on2)onc1C(F)(F)F ZINC000274669640 497142047 /nfs/dbraw/zinc/14/20/47/497142047.db2.gz HBESRKMXUVNEGP-UHFFFAOYSA-N -1 3 369.303 3.049 20 0 FGADHM Cc1ccc(C(=O)Nc2cccc(C(=O)NCc3ccccn3)c2)c([O-])c1 ZINC000192569790 497152839 /nfs/dbraw/zinc/15/28/39/497152839.db2.gz YLQXEKJHRQGYEC-UHFFFAOYSA-N -1 3 361.401 3.278 20 0 FGADHM COc1cc(C(=O)N(C)CCOc2ccccc2Cl)cc(OC)c1[O-] ZINC000270589320 497155612 /nfs/dbraw/zinc/15/56/12/497155612.db2.gz BZNRYEUYWPLJIJ-UHFFFAOYSA-N -1 3 365.813 3.214 20 0 FGADHM C[C@@H]1CCN(C(=O)c2cnn(C)c2Br)c2c([O-])cccc21 ZINC000274787790 497165215 /nfs/dbraw/zinc/16/52/15/497165215.db2.gz PFWMOGVINNPEAJ-SECBINFHSA-N -1 3 350.216 3.042 20 0 FGADHM CCN(Cc1ccc(OC)cc1OC)C(=O)NCc1ccc([O-])c(F)c1 ZINC000265734182 497171952 /nfs/dbraw/zinc/17/19/52/497171952.db2.gz CAYBEKHGJVMBSN-UHFFFAOYSA-N -1 3 362.401 3.280 20 0 FGADHM COc1ccccc1COC1CCN([C@@H](C)c2nc(C)cc(=O)[n-]2)CC1 ZINC000192718661 497194852 /nfs/dbraw/zinc/19/48/52/497194852.db2.gz PUSZSWSPESHXBC-HNNXBMFYSA-N -1 3 357.454 3.241 20 0 FGADHM COc1cc(-c2nc(-c3ccc(N4CCCC4)cn3)no2)cc(OC)c1[O-] ZINC000274979378 497210326 /nfs/dbraw/zinc/21/03/26/497210326.db2.gz JMBMSEMYDGZHLL-UHFFFAOYSA-N -1 3 368.393 3.122 20 0 FGADHM Cc1ccc(C(=O)NCCc2nc(CSCc3ccco3)no2)c([O-])c1 ZINC000274995192 497214636 /nfs/dbraw/zinc/21/46/36/497214636.db2.gz MNRQEBIATJEVIO-UHFFFAOYSA-N -1 3 373.434 3.083 20 0 FGADHM Cc1nc(C)c(C[N-]S(=O)(=O)c2sccc2Br)s1 ZINC000266126900 497262771 /nfs/dbraw/zinc/26/27/71/497262771.db2.gz AFDLCTMFFZNVPA-UHFFFAOYSA-N -1 3 367.315 3.062 20 0 FGADHM CC(C)[C@@H]1C[C@@H](CC(=O)N2CCc3nc[n-]c(=O)c3C2)c2ccccc21 ZINC000278821920 497232686 /nfs/dbraw/zinc/23/26/86/497232686.db2.gz UAILAZOSNDQLAS-YOEHRIQHSA-N -1 3 351.450 3.384 20 0 FGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CCC[C@@H](C)[C@@H]1C ZINC000266035792 497238610 /nfs/dbraw/zinc/23/86/10/497238610.db2.gz BFFZFRYYYABFFF-HIFRSBDPSA-N -1 3 354.454 3.132 20 0 FGADHM CC(C)(C)c1cc(C(=O)[N-]c2cccc(Cl)c2S(C)(=O)=O)no1 ZINC000266057357 497243570 /nfs/dbraw/zinc/24/35/70/497243570.db2.gz IHEGADYLBSRBBL-UHFFFAOYSA-N -1 3 356.831 3.281 20 0 FGADHM CCn1c(SCC(=O)Nc2ncccc2[O-])nnc1-c1cccc(C)c1 ZINC000192916127 497245163 /nfs/dbraw/zinc/24/51/63/497245163.db2.gz GSUKZPSJDHTMFN-UHFFFAOYSA-N -1 3 369.450 3.105 20 0 FGADHM O=C(CNC(=O)c1cccc([O-])c1)N1CCC[C@H]1c1ccc(Cl)cc1 ZINC000275175673 497250091 /nfs/dbraw/zinc/25/00/91/497250091.db2.gz VPSXYVBXKMLRSV-KRWDZBQOSA-N -1 3 358.825 3.139 20 0 FGADHM O=c1[n-]c(SCCOc2cc(Cl)ccc2Cl)nc2[nH]ncc21 ZINC000192943339 497253567 /nfs/dbraw/zinc/25/35/67/497253567.db2.gz FOGNPERFHNZILK-UHFFFAOYSA-N -1 3 357.222 3.124 20 0 FGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H](C)c1nc(C)cs1 ZINC000278903173 497260869 /nfs/dbraw/zinc/26/08/69/497260869.db2.gz YTIDMDOZKWXSSL-VIFPVBQESA-N -1 3 360.888 3.196 20 0 FGADHM CCO[C@@H](C[N-]S(=O)(=O)Cc1ccc(C)cc1F)c1ccccc1 ZINC000192964363 497261514 /nfs/dbraw/zinc/26/15/14/497261514.db2.gz VJXPWTQUIHJBFD-SFHVURJKSA-N -1 3 351.443 3.331 20 0 FGADHM CC1([C@@H]2CCCN(C(=O)c3cc([O-])ccc3C(F)(F)F)C2)OCCO1 ZINC000189922236 497295092 /nfs/dbraw/zinc/29/50/92/497295092.db2.gz JKRXVATYICQHPJ-LLVKDONJSA-N -1 3 359.344 3.026 20 0 FGADHM O=C([O-])Cc1ccccc1NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000238088023 497338654 /nfs/dbraw/zinc/33/86/54/497338654.db2.gz BIGOAAKSMFCKMA-KRWDZBQOSA-N -1 3 370.424 3.304 20 0 FGADHM O=C(Nc1ccccc1O)[C@@H]1CCCC[C@@H]1C(=O)Nc1ccccc1[O-] ZINC000193335323 497353885 /nfs/dbraw/zinc/35/38/85/497353885.db2.gz PVLVBPPDXQRTMC-OKILXGFUSA-N -1 3 354.406 3.481 20 0 FGADHM O=C(Nc1ccccc1[O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1ccccc1O ZINC000193335323 497353890 /nfs/dbraw/zinc/35/38/90/497353890.db2.gz PVLVBPPDXQRTMC-OKILXGFUSA-N -1 3 354.406 3.481 20 0 FGADHM CO[C@@H](C)CS(=O)(=O)[N-]c1ccc(OC(F)F)c(C(F)(F)F)c1 ZINC000193352100 497357972 /nfs/dbraw/zinc/35/79/72/497357972.db2.gz COZHOBSHQXTTIL-ZETCQYMHSA-N -1 3 363.304 3.083 20 0 FGADHM COc1ccccc1[C@H](CNC(=O)c1ccc(O)cc1[O-])N1CCCCC1 ZINC000193353601 497359068 /nfs/dbraw/zinc/35/90/68/497359068.db2.gz MNUNINBDBSLSNV-SFHVURJKSA-N -1 3 370.449 3.063 20 0 FGADHM O=C(CC/C=C\c1ccccc1)NCCCNC(=O)c1cccc([O-])c1 ZINC000255363164 497365346 /nfs/dbraw/zinc/36/53/46/497365346.db2.gz KYEOIIWGXHHVOY-WMZJFQQLSA-N -1 3 352.434 3.122 20 0 FGADHM COc1cccc([C@H](C)C(=O)Nc2n[n-]c(-c3ccccc3OC)n2)c1 ZINC000193622385 497430752 /nfs/dbraw/zinc/43/07/52/497430752.db2.gz UQDKDKIMMHKUGO-LBPRGKRZSA-N -1 3 352.394 3.231 20 0 FGADHM C[C@H](NC(=O)c1cc([O-])ccc1C(F)(F)F)[C@H](O)Cc1ccccc1 ZINC000193629972 497432733 /nfs/dbraw/zinc/43/27/33/497432733.db2.gz PGSGGQBHMGLHAY-MEDUHNTESA-N -1 3 353.340 3.133 20 0 FGADHM O=S(=O)([N-][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1ccc(Cl)c(Cl)c1 ZINC000245519445 497438150 /nfs/dbraw/zinc/43/81/50/497438150.db2.gz BEZBHVTUWRNMJB-ZLKJLUDKSA-N -1 3 362.278 3.229 20 0 FGADHM CC(C)n1ccc(C[S@@](=O)Cc2cc(=O)[n-]c(-c3ccccc3)n2)n1 ZINC000575025615 505907017 /nfs/dbraw/zinc/90/70/17/505907017.db2.gz CWURAXGXKGKITD-RUZDIDTESA-N -1 3 356.451 3.076 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)N1CCC(c2ncc3n2CCCC3)CC1 ZINC000279458849 497445125 /nfs/dbraw/zinc/44/51/25/497445125.db2.gz LBOZZNJBBQZKEJ-UHFFFAOYSA-N -1 3 372.444 3.153 20 0 FGADHM CC(C)(C)S(=O)(=O)Cc1cccc(NC([O-])=NOC2CCCC2)c1 ZINC000271796418 497453126 /nfs/dbraw/zinc/45/31/26/497453126.db2.gz JDANHLNWGUMWBQ-UHFFFAOYSA-N -1 3 354.472 3.396 20 0 FGADHM CC(C)(C)S(=O)(=O)Cc1cccc(NC(=O)[N-]OC2CCCC2)c1 ZINC000271796418 497453132 /nfs/dbraw/zinc/45/31/32/497453132.db2.gz JDANHLNWGUMWBQ-UHFFFAOYSA-N -1 3 354.472 3.396 20 0 FGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(NC(=O)CC(C)C)cc1 ZINC000266956922 497455884 /nfs/dbraw/zinc/45/58/84/497455884.db2.gz GQYKSQMUSNYJJE-UHFFFAOYSA-N -1 3 374.466 3.449 20 0 FGADHM 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3.066 20 0 FGADHM C/C=C/C[C@H](CO)[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000190875706 497629748 /nfs/dbraw/zinc/62/97/48/497629748.db2.gz MANOSAOTAZKKBL-XYBNCVKDSA-N -1 3 373.902 3.124 20 0 FGADHM CCN(CC1CCN(c2ccccn2)CC1)C(=O)c1ccc([O-])c(C)c1 ZINC000272459657 497633226 /nfs/dbraw/zinc/63/32/26/497633226.db2.gz HAMRWCQHYSKLSM-UHFFFAOYSA-N -1 3 353.466 3.474 20 0 FGADHM O=C(N[C@H]1CCCc2[nH]c(=O)ccc21)c1cc([O-])ccc1C(F)(F)F ZINC000276708353 497633886 /nfs/dbraw/zinc/63/38/86/497633886.db2.gz QZXUWKVMKSGLNE-AWEZNQCLSA-N -1 3 352.312 3.319 20 0 FGADHM CC(=O)N(CC(=O)[O-])[C@@H]1CCCN(Cc2ccc(C(C)(C)C)cc2)CC1 ZINC000262878464 497645689 /nfs/dbraw/zinc/64/56/89/497645689.db2.gz FCBZTAOLSXCLSD-LJQANCHMSA-N -1 3 360.498 3.272 20 0 FGADHM CC(C)(C)c1ccc(OCCNC(=O)c2c[n-]c3ccncc3c2=O)cc1 ZINC000581148821 505920285 /nfs/dbraw/zinc/92/02/85/505920285.db2.gz QXJFTDCAKFGUDM-UHFFFAOYSA-N -1 3 365.433 3.029 20 0 FGADHM CCc1c(NC([O-])=NOC[C@H]2CCOC2)cnn1-c1ccc(Cl)cc1 ZINC000276796658 497656092 /nfs/dbraw/zinc/65/60/92/497656092.db2.gz VHNOKNHWMCITIP-LBPRGKRZSA-N -1 3 364.833 3.178 20 0 FGADHM CCc1c(NC(=O)[N-]OC[C@H]2CCOC2)cnn1-c1ccc(Cl)cc1 ZINC000276796658 497656096 /nfs/dbraw/zinc/65/60/96/497656096.db2.gz VHNOKNHWMCITIP-LBPRGKRZSA-N -1 3 364.833 3.178 20 0 FGADHM CCc1ccc(C(=O)N2CCC(NC(=O)Oc3ccccc3)CC2)c([O-])c1 ZINC000190973371 497667500 /nfs/dbraw/zinc/66/75/00/497667500.db2.gz KGYJFSCPOLCWOU-UHFFFAOYSA-N -1 3 368.433 3.348 20 0 FGADHM CCc1ccc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccccc2F)c([O-])c1 ZINC000190984932 497672643 /nfs/dbraw/zinc/67/26/43/497672643.db2.gz TWEYLTQPZBFDED-MRXNPFEDSA-N -1 3 374.437 3.248 20 0 FGADHM O=C(Nc1ccccc1[O-])C1CCN(C(=O)N[C@@H]2CCC[C@@H](F)C2)CC1 ZINC000572238210 505922697 /nfs/dbraw/zinc/92/26/97/505922697.db2.gz HDIJVALYORLTEM-HUUCEWRRSA-N -1 3 363.433 3.033 20 0 FGADHM Cc1ccc2c(ncc(C(=O)[O-])c2N2CC[S@](=O)C(C)(C)CC2)c1C ZINC000578364649 505923184 /nfs/dbraw/zinc/92/31/84/505923184.db2.gz BYJOJHWCBPFAOL-VWLOTQADSA-N -1 3 360.479 3.287 20 0 FGADHM COc1cc(C(=O)N2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)ccc1[O-] ZINC000276933995 497692269 /nfs/dbraw/zinc/69/22/69/497692269.db2.gz OTGSCEWLMOBYHV-QGZVFWFLSA-N -1 3 365.788 3.407 20 0 FGADHM CCc1ccc(C(=O)N(CC)Cc2ccc(C(=O)N(C)C)cc2)c([O-])c1 ZINC000191048223 497693050 /nfs/dbraw/zinc/69/30/50/497693050.db2.gz CEHTZFMVNGMFPN-UHFFFAOYSA-N -1 3 354.450 3.319 20 0 FGADHM COc1cc(-c2noc([C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C)n2)ccc1[O-] ZINC000276962142 497700378 /nfs/dbraw/zinc/70/03/78/497700378.db2.gz VSQOBTSTAATYEW-WDEREUQCSA-N -1 3 363.414 3.468 20 0 FGADHM O=C(c1ccc(Cl)cc1)C1CCN(C(=O)c2ccc3n[n-]nc3c2)CC1 ZINC000194573467 497708251 /nfs/dbraw/zinc/70/82/51/497708251.db2.gz PZNMPCOXXYQCCD-UHFFFAOYSA-N -1 3 368.824 3.346 20 0 FGADHM CN(C)c1ccc([N-]S(=O)(=O)Cc2ccc(Cl)cc2Cl)nc1 ZINC000194585721 497711926 /nfs/dbraw/zinc/71/19/26/497711926.db2.gz HILHLKRZMRORBO-UHFFFAOYSA-N -1 3 360.266 3.396 20 0 FGADHM COc1ccc(-c2nnc(S[C@H](C)c3nc(C)cc(=O)[n-]3)o2)cc1OC ZINC000268310188 497723724 /nfs/dbraw/zinc/72/37/24/497723724.db2.gz HBFQLUOLSNCRQJ-SNVBAGLBSA-N -1 3 374.422 3.411 20 0 FGADHM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)C)cc2)c1Cl ZINC000194641333 497727160 /nfs/dbraw/zinc/72/71/60/497727160.db2.gz OHEKLDKOLISIMI-UHFFFAOYSA-N -1 3 352.843 3.151 20 0 FGADHM C[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)N(C)C[C@H](C)C(=O)[O-] ZINC000263314405 497756240 /nfs/dbraw/zinc/75/62/40/497756240.db2.gz IMOAGADMBUDOGG-JKSUJKDBSA-N -1 3 370.449 3.245 20 0 FGADHM COc1cc(CN2C[C@@H](C(=O)[O-])CC[C@H]2C)ccc1OCc1ccncc1 ZINC000263319038 497756791 /nfs/dbraw/zinc/75/67/91/497756791.db2.gz JFUFDUMJMBRXGQ-QAPCUYQASA-N -1 3 370.449 3.354 20 0 FGADHM C[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)N(C)C[C@H](C)C(=O)[O-] ZINC000263321931 497757859 /nfs/dbraw/zinc/75/78/59/497757859.db2.gz JTIHBSXOGPJJME-LSDHHAIUSA-N -1 3 356.422 3.458 20 0 FGADHM C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)c1cccc(C(=O)[O-])c1 ZINC000263365216 497768331 /nfs/dbraw/zinc/76/83/31/497768331.db2.gz VTYDKZUERCSCLR-MRXNPFEDSA-N -1 3 352.434 3.121 20 0 FGADHM COc1cccc(CSC[C@@H](NCc2cccnc2Cl)C(=O)[O-])c1 ZINC000277187238 497768938 /nfs/dbraw/zinc/76/89/38/497768938.db2.gz FQYIXUFLFRCICZ-OAHLLOKOSA-N -1 3 366.870 3.220 20 0 FGADHM C[C@H](CN(C)[C@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000263367660 497769435 /nfs/dbraw/zinc/76/94/35/497769435.db2.gz UIFBHTDFVSDWCF-OUAUKWLOSA-N -1 3 361.269 3.212 20 0 FGADHM Cc1cc(Br)cc(CN(C)CCC(=O)[O-])c1OC(F)F ZINC000263397458 497775865 /nfs/dbraw/zinc/77/58/65/497775865.db2.gz GZURYWMAZZILOH-UHFFFAOYSA-N -1 3 352.175 3.265 20 0 FGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)C[C@@H]2CCO[C@H](C(C)C)C2)c1 ZINC000273052282 497791425 /nfs/dbraw/zinc/79/14/25/497791425.db2.gz VLWAWJAIHUWBMZ-PBHICJAKSA-N -1 3 368.499 3.146 20 0 FGADHM C[C@@](O)(CNCc1cccc(Oc2cccc(C(F)(F)F)c2)c1)C(=O)[O-] ZINC000263534969 497796934 /nfs/dbraw/zinc/79/69/34/497796934.db2.gz YQXSOOADWDJOTQ-QGZVFWFLSA-N -1 3 369.339 3.423 20 0 FGADHM O=C([O-])c1ccc(CN2CCC(NC(=O)Nc3ccc(F)cc3)CC2)cc1 ZINC000263558838 497799904 /nfs/dbraw/zinc/79/99/04/497799904.db2.gz ANTUSFIXRZWGRN-UHFFFAOYSA-N -1 3 371.412 3.310 20 0 FGADHM C[C@@H](CC(=O)N1CCN(C(=O)c2cccc([O-])c2)CC1)c1ccc(F)cc1 ZINC000263718235 497810750 /nfs/dbraw/zinc/81/07/50/497810750.db2.gz RLFWDNQUUXSHAN-HNNXBMFYSA-N -1 3 370.424 3.010 20 0 FGADHM COc1ccc(CNCc2nccc(C(F)F)n2)c(Br)c1[O-] ZINC000288559190 497831272 /nfs/dbraw/zinc/83/12/72/497831272.db2.gz YKNOESNQBWLTQS-UHFFFAOYSA-N -1 3 374.185 3.181 20 0 FGADHM COc1ccc(OC)c(S(=O)(=O)[N-]c2c3c(ccc2Cl)OCC3)c1 ZINC000578413027 505933258 /nfs/dbraw/zinc/93/32/58/505933258.db2.gz ZRYWCDSBBFQYBI-UHFFFAOYSA-N -1 3 369.826 3.093 20 0 FGADHM CCN(CC)C(=O)c1ccc(NC([O-])=NOCCSC)cc1Cl ZINC000280630708 497833526 /nfs/dbraw/zinc/83/35/26/497833526.db2.gz XJURNVZTJXBWSC-UHFFFAOYSA-N -1 3 359.879 3.238 20 0 FGADHM CCN(CC)C(=O)c1ccc(NC(=O)[N-]OCCSC)cc1Cl ZINC000280630708 497833528 /nfs/dbraw/zinc/83/35/28/497833528.db2.gz XJURNVZTJXBWSC-UHFFFAOYSA-N -1 3 359.879 3.238 20 0 FGADHM C[C@@H](c1ncc(-c2ccc(Cl)cc2)o1)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000288574335 497836082 /nfs/dbraw/zinc/83/60/82/497836082.db2.gz AWJSHCXUTJACSO-AAEUAGOBSA-N -1 3 373.844 3.347 20 0 FGADHM Cn1cc(NC(=O)NCc2ccc([O-])c(Br)c2)c(C2CC2)n1 ZINC000292020460 497843570 /nfs/dbraw/zinc/84/35/70/497843570.db2.gz JPRAWSQPRPIPKC-UHFFFAOYSA-N -1 3 365.231 3.087 20 0 FGADHM CCc1nc(C)c(C[N-]S(=O)(=O)c2ccc(C)cc2Br)o1 ZINC000292029017 497846787 /nfs/dbraw/zinc/84/67/87/497846787.db2.gz YAUCFDARGIEPRQ-UHFFFAOYSA-N -1 3 373.272 3.095 20 0 FGADHM Cn1c2ccccc2nc1CCN1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000364283263 497878224 /nfs/dbraw/zinc/87/82/24/497878224.db2.gz HCMXCZIPKWPAEG-UHFFFAOYSA-N -1 3 363.461 3.416 20 0 FGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N(C1CCC1)C1CCC1 ZINC000578461230 505944745 /nfs/dbraw/zinc/94/47/45/505944745.db2.gz VBHUKPHWJFLMLT-UHFFFAOYSA-N -1 3 366.465 3.007 20 0 FGADHM C[C@H]1C[C@@H](N(C)C(=O)C(=O)c2ccc([O-])cc2)CCN1Cc1ccccc1 ZINC000280823970 497912216 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/nfs/dbraw/zinc/02/35/54/498023554.db2.gz PTFWEXDCMZIYKJ-UHFFFAOYSA-N -1 3 357.410 3.071 20 0 FGADHM Cc1nc2cc(-c3nc(-c4ccc([N-]S(C)(=O)=O)cc4)no3)ccc2o1 ZINC000349952872 498026482 /nfs/dbraw/zinc/02/64/82/498026482.db2.gz XECVCKYSBLZUBA-UHFFFAOYSA-N -1 3 370.390 3.225 20 0 FGADHM Cc1cc2occ(CC(=O)N3CCN4C(=O)[N-]C(=O)[C@@H]4C3)c2cc1C(C)C ZINC000330150027 498041065 /nfs/dbraw/zinc/04/10/65/498041065.db2.gz VLNCLOSFYBRLJC-INIZCTEOSA-N -1 3 369.421 3.010 20 0 FGADHM CO[C@H](c1ccccc1F)[C@@H](C)NC(=O)c1c[n-]nc1-c1ccccn1 ZINC000578565990 505969190 /nfs/dbraw/zinc/96/91/90/505969190.db2.gz WFRYLOHIRWTKMV-XIKOKIGWSA-N -1 3 354.385 3.117 20 0 FGADHM CCOc1cc(-c2noc([C@H]3CCO[C@@H]3c3cnn(C)c3C)n2)ccc1[O-] ZINC000289207114 498060668 /nfs/dbraw/zinc/06/06/68/498060668.db2.gz RKAQWDNVYISDMR-GUYCJALGSA-N -1 3 370.409 3.128 20 0 FGADHM Cc1ccc(-c2nc(C[S@](=O)Cc3cc(=O)[n-]c(C4CC4)n3)co2)cc1 ZINC000572465756 505975568 /nfs/dbraw/zinc/97/55/68/505975568.db2.gz BMMOMRJPLUKGSY-AREMUKBSSA-N -1 3 369.446 3.472 20 0 FGADHM O=S(=O)([N-][C@@H]1CCC[C@H]2OCC[C@H]21)c1ccc(Cl)cc1Cl ZINC000330259839 498083908 /nfs/dbraw/zinc/08/39/08/498083908.db2.gz SHNCZLSQHCPTIC-CYZMBNFOSA-N -1 3 350.267 3.229 20 0 FGADHM CC[C@](C)([N-]S(=O)(=O)c1ccc(NC(=O)C(C)C)cc1)C(F)(F)F ZINC000575514813 505979168 /nfs/dbraw/zinc/97/91/68/505979168.db2.gz OTDWINMWFCWISO-AWEZNQCLSA-N -1 3 366.405 3.290 20 0 FGADHM CCO[C@@H]1C[C@@](NC(=O)c2cc([O-])c3ccccc3c2)(C(=O)OC)C1(C)C ZINC000281328968 498107368 /nfs/dbraw/zinc/10/73/68/498107368.db2.gz VYJZAHKYILOXGT-DYESRHJHSA-N -1 3 371.433 3.022 20 0 FGADHM CSCCON=C([O-])Nc1ccc(C)c(S(=O)(=O)C2CCCC2)c1 ZINC000296655502 498139204 /nfs/dbraw/zinc/13/92/04/498139204.db2.gz DAVPOEYBKIGNGE-UHFFFAOYSA-N -1 3 372.512 3.127 20 0 FGADHM CSCCO[N-]C(=O)Nc1ccc(C)c(S(=O)(=O)C2CCCC2)c1 ZINC000296655502 498139208 /nfs/dbraw/zinc/13/92/08/498139208.db2.gz DAVPOEYBKIGNGE-UHFFFAOYSA-N -1 3 372.512 3.127 20 0 FGADHM COc1ccc(C)cc1S(=O)(=O)[N-][C@@H](c1nccs1)C(F)(F)F ZINC000292793505 498150326 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O=C(NCc1ccc([O-])c(F)c1)c1ccc(OCc2ccncc2)cc1 ZINC000572563687 505998035 /nfs/dbraw/zinc/99/80/35/505998035.db2.gz KPRCIWHJQCBVFC-UHFFFAOYSA-N -1 3 352.365 3.435 20 0 FGADHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-][C@H](c1ccccc1)C(C)C ZINC000575787757 506004144 /nfs/dbraw/zinc/00/41/44/506004144.db2.gz FFAQNPKRSDIYEA-INIZCTEOSA-N -1 3 365.451 3.359 20 0 FGADHM CCOc1cc(CN2CCC[C@H]2C(C)(C)O)cc(Br)c1[O-] ZINC000331134703 498259360 /nfs/dbraw/zinc/25/93/60/498259360.db2.gz PSLDBUIRWCIQSN-AWEZNQCLSA-N -1 3 358.276 3.289 20 0 FGADHM CCn1nc(C)c(S(=O)(=O)[N-]C[C@H]2CCCC[C@@H]2C(F)(F)F)c1C ZINC000331144143 498261402 /nfs/dbraw/zinc/26/14/02/498261402.db2.gz GCEHQWCONWBWBV-OLZOCXBDSA-N -1 3 367.437 3.167 20 0 FGADHM Cc1ccc([C@H]2C[C@@H]2C(=O)Nc2ccc(F)c([N-]S(C)(=O)=O)c2)s1 ZINC000360285507 498263752 /nfs/dbraw/zinc/26/37/52/498263752.db2.gz UMZHNZDMKRTYJA-RYUDHWBXSA-N -1 3 368.455 3.309 20 0 FGADHM C[C@@H]1CCN(C(=O)CCc2nc(-c3cccnc3)no2)c2c([O-])cccc21 ZINC000365044426 498270848 /nfs/dbraw/zinc/27/08/48/498270848.db2.gz NHXMQDXITKDHOV-CYBMUJFWSA-N -1 3 364.405 3.310 20 0 FGADHM C[C@@]1(CO)CCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000331198803 498272839 /nfs/dbraw/zinc/27/28/39/498272839.db2.gz VNOYKQXEMIGIIM-STQMWFEESA-N -1 3 371.808 3.188 20 0 FGADHM C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2C(=O)NCc2ccc([O-])c(F)c2)C1 ZINC000281801549 498275229 /nfs/dbraw/zinc/27/52/29/498275229.db2.gz IKEHWRRCCDFKBJ-UOJCXKCYSA-N -1 3 350.434 3.002 20 0 FGADHM COC(C)(C)CS(=O)(=O)[N-]c1cc(Br)c(F)cc1C ZINC000331224235 498278610 /nfs/dbraw/zinc/27/86/10/498278610.db2.gz BCVYIQBOWXIAGP-UHFFFAOYSA-N -1 3 354.241 3.063 20 0 FGADHM O=c1[n-]cnc2c1CN(c1ccc3cc(Br)ccc3n1)CC2 ZINC000578735463 506009339 /nfs/dbraw/zinc/00/93/39/506009339.db2.gz LWNOTCMSPXAHQB-UHFFFAOYSA-N -1 3 357.211 3.056 20 0 FGADHM Cc1ccc2[n-]cc(C(=O)N3CCC(O)(c4ccccc4)CC3)c(=O)c2c1 ZINC000286092662 498290454 /nfs/dbraw/zinc/29/04/54/498290454.db2.gz DQOYMRPCWLWSCQ-UHFFFAOYSA-N -1 3 362.429 3.373 20 0 FGADHM C[C@@H]1CCCc2nc(S(=O)(=O)[N-]C(C)(C)c3ccccc3F)cn21 ZINC000572616637 506013143 /nfs/dbraw/zinc/01/31/43/506013143.db2.gz QTQMKQFQYFKBRQ-GFCCVEGCSA-N -1 3 351.447 3.133 20 0 FGADHM COc1cc(Cl)cc(C(=O)Nc2cc(C)ccc2[N-]S(C)(=O)=O)c1 ZINC000572623897 506014289 /nfs/dbraw/zinc/01/42/89/506014289.db2.gz GNRIJNSLPXIHQN-UHFFFAOYSA-N -1 3 368.842 3.281 20 0 FGADHM Cc1cc(S(=O)(=O)[N-][C@H]2CCO[C@H](c3ccncc3)C2)sc1Cl ZINC000569781818 506014603 /nfs/dbraw/zinc/01/46/03/506014603.db2.gz XGUSLBCGMPBPKT-STQMWFEESA-N -1 3 372.899 3.304 20 0 FGADHM CSCCO[N-]C(=O)Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000289879056 498335064 /nfs/dbraw/zinc/33/50/64/498335064.db2.gz SFMNFNJKCXOPHB-UHFFFAOYSA-N -1 3 360.361 3.307 20 0 FGADHM Cc1cccc([C@H]2CCCN2C(=O)NCc2nnc(C(F)(F)F)[n-]2)c1C ZINC000331492501 498348621 /nfs/dbraw/zinc/34/86/21/498348621.db2.gz JDZZKEDNXYDVJK-CYBMUJFWSA-N -1 3 367.375 3.487 20 0 FGADHM Cc1cccc([C@H]2CCCN2C(=O)NCc2n[n-]c(C(F)(F)F)n2)c1C ZINC000331492501 498348629 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CCOc1cc2c(cc1CNC(=O)Cc1ccc([O-])c(F)c1)O[C@H](C)C2 ZINC000448597083 500780973 /nfs/dbraw/zinc/78/09/73/500780973.db2.gz WIMFDERUQVGCHL-GFCCVEGCSA-N -1 3 359.397 3.112 20 0 FGADHM COC(=O)c1[n-]c(=NCCOc2cccc(C(F)(F)F)c2)sc1C ZINC000434083781 500792540 /nfs/dbraw/zinc/79/25/40/500792540.db2.gz SGCVOAMNEQXONL-UHFFFAOYSA-N -1 3 360.357 3.170 20 0 FGADHM CN(Cc1ccoc1)C(=O)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O ZINC000444026680 500794023 /nfs/dbraw/zinc/79/40/23/500794023.db2.gz WYOSAYWUWFSEFK-UHFFFAOYSA-N -1 3 366.295 3.292 20 0 FGADHM Cc1nc(C)c(CCC(=O)NC[C@H]2CCC[C@@H](C(F)(F)F)C2)c(=O)[n-]1 ZINC000438514251 500795392 /nfs/dbraw/zinc/79/53/92/500795392.db2.gz FCQJMXPYYIBFRF-QWHCGFSZSA-N -1 3 359.392 3.217 20 0 FGADHM C[C@H](c1ccc(Cl)cc1)N(C(=O)c1cc(=O)[n-]c(N(C)C)n1)C1CC1 ZINC000434120889 500798814 /nfs/dbraw/zinc/79/88/14/500798814.db2.gz NVYFASYSYKKTAH-LLVKDONJSA-N -1 3 360.845 3.267 20 0 FGADHM Cc1ccc(-c2nnc([N-]C(=O)c3cnn4ncccc34)s2)c(C)c1 ZINC000434123726 500799607 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FGADHM COC(=O)c1nscc1S(=O)(=O)[N-][C@@H]1CCC[C@@H](C(C)(C)C)CC1 ZINC000444212715 500818261 /nfs/dbraw/zinc/81/82/61/500818261.db2.gz ALSVMTJYPOBJBL-VXGBXAGGSA-N -1 3 374.528 3.203 20 0 FGADHM C[C@@H]1CCCN(Cc2ccccc2CNC(=O)C(=O)c2ccc([O-])cc2)C1 ZINC000438777282 500819442 /nfs/dbraw/zinc/81/94/42/500819442.db2.gz XJRQYMXTWJPUFZ-MRXNPFEDSA-N -1 3 366.461 3.123 20 0 FGADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000434318232 500826215 /nfs/dbraw/zinc/82/62/15/500826215.db2.gz SMKCZUODTBVSAV-WBMJQRKESA-N -1 3 363.351 3.016 20 0 FGADHM C[C@@H]1CC[C@@H](C)N1C(=O)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O ZINC000444293314 500830704 /nfs/dbraw/zinc/83/07/04/500830704.db2.gz LMTNYHHFHJGECY-NXEZZACHSA-N -1 3 354.328 3.440 20 0 FGADHM CCOC(=O)c1ccc(C(=O)CSc2n[n-]c(-c3ccccn3)n2)cc1 ZINC000438886531 500831765 /nfs/dbraw/zinc/83/17/65/500831765.db2.gz NZDISUISYLSGPZ-UHFFFAOYSA-N -1 3 368.418 3.018 20 0 FGADHM C[C@@H]1CCc2onc(C(=O)NCc3ccc([O-])c(Br)c3)c2C1 ZINC000434364532 500832270 /nfs/dbraw/zinc/83/22/70/500832270.db2.gz PEJXWCMGKYSUNU-SECBINFHSA-N -1 3 365.227 3.198 20 0 FGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](CO)Cc2ccccc2)c1Cl ZINC000438897146 500832845 /nfs/dbraw/zinc/83/28/45/500832845.db2.gz UNDMRCNHOBHSCN-CYBMUJFWSA-N -1 3 374.289 3.184 20 0 FGADHM C[C@@H](CNC(=O)c1cc(Cl)cc(Br)c1[O-])N(C)C1CC1 ZINC000438896688 500833058 /nfs/dbraw/zinc/83/30/58/500833058.db2.gz NYVWDVWPXUUUCG-QMMMGPOBSA-N -1 3 361.667 3.021 20 0 FGADHM C[C@@]1(F)CCN(C(=O)c2c[n-]c3c(OC(F)(F)F)cccc3c2=O)C1 ZINC000444350754 500837540 /nfs/dbraw/zinc/83/75/40/500837540.db2.gz IAVDBLKANLKPBY-OAHLLOKOSA-N -1 3 358.291 3.001 20 0 FGADHM CC(C)c1nnc(C[N-]S(=O)(=O)c2ccc(C(C)(C)C)s2)s1 ZINC000438954190 500839738 /nfs/dbraw/zinc/83/97/38/500839738.db2.gz QRZXGYWRBKKGNW-UHFFFAOYSA-N -1 3 359.542 3.499 20 0 FGADHM O=C([O-])CSCCNCc1ccccc1OCc1ccc(F)cc1F ZINC000596022716 506220098 /nfs/dbraw/zinc/22/00/98/506220098.db2.gz WCXWVFUBGOLHPV-UHFFFAOYSA-N -1 3 367.417 3.451 20 0 FGADHM COC(=O)c1cc(C(=O)[N-]c2nc(-c3ccc(F)c(F)c3)cs2)no1 ZINC000439293653 500881774 /nfs/dbraw/zinc/88/17/74/500881774.db2.gz HJXQCHSDRBLVEU-UHFFFAOYSA-N -1 3 365.317 3.115 20 0 FGADHM Cn1ncc(C(=O)N=c2cc(-c3ccccc3)[n-][nH]2)c1Cc1ccccc1 ZINC000444851200 500911021 /nfs/dbraw/zinc/91/10/21/500911021.db2.gz QPKJWXKMXAPTOF-UHFFFAOYSA-N -1 3 357.417 3.075 20 0 FGADHM COc1ccc2c(c1)[n-]cc(C(=O)N1CC[C@H](Cc3ccccc3)C1)c2=O ZINC000439799215 500940357 /nfs/dbraw/zinc/94/03/57/500940357.db2.gz FWDPMSMVXCKJQM-MRXNPFEDSA-N -1 3 362.429 3.242 20 0 FGADHM C[C@@H]1CCCCN1CC[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000435430612 500974137 /nfs/dbraw/zinc/97/41/37/500974137.db2.gz DADSWWMEYVCOSS-SNVBAGLBSA-N -1 3 369.289 3.285 20 0 FGADHM [O-]c1ccc(Cc2nc(CCn3nnc4ccccc43)no2)c(Cl)c1 ZINC000445383334 500979298 /nfs/dbraw/zinc/97/92/98/500979298.db2.gz IGOMRLUYFGCFPS-UHFFFAOYSA-N -1 3 355.785 3.007 20 0 FGADHM CCOc1cc(-c2noc(Cc3cccc(OCCOC)c3)n2)ccc1[O-] ZINC000445428292 500983713 /nfs/dbraw/zinc/98/37/13/500983713.db2.gz TZEIOEZTLPJCGZ-UHFFFAOYSA-N -1 3 370.405 3.457 20 0 FGADHM COC(=O)[C@@H]1CN(Cc2cccc([O-])c2Cl)C[C@H]1c1ccc(O)cc1 ZINC000449347446 500984209 /nfs/dbraw/zinc/98/42/09/500984209.db2.gz HHQSCJHLUMTFFC-JKSUJKDBSA-N -1 3 361.825 3.140 20 0 FGADHM CCOc1cc(-c2noc(CNC(=O)CC3CCCCC3)n2)ccc1[O-] ZINC000445428354 500984380 /nfs/dbraw/zinc/98/43/80/500984380.db2.gz UOVABRXMXPOHHR-UHFFFAOYSA-N -1 3 359.426 3.428 20 0 FGADHM CCOc1cc(-c2noc(CCc3nc(C(C)(C)C)no3)n2)ccc1[O-] ZINC000445428667 500984787 /nfs/dbraw/zinc/98/47/87/500984787.db2.gz XNEXVXIMZMCZHI-UHFFFAOYSA-N -1 3 358.398 3.307 20 0 FGADHM O=C(Cc1noc(-c2ccccc2[O-])n1)Nc1ccccc1Br ZINC000445481583 500993448 /nfs/dbraw/zinc/99/34/48/500993448.db2.gz MDTAIALRAXMOQD-UHFFFAOYSA-N -1 3 374.194 3.386 20 0 FGADHM CCn1cnc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)c1 ZINC000435586653 500996417 /nfs/dbraw/zinc/99/64/17/500996417.db2.gz BKYPANISAJMEMS-WCQYABFASA-N -1 3 360.266 3.044 20 0 FGADHM Cc1ccc(CNC(=O)Cc2noc(Cc3ccc([O-])cc3Cl)n2)cc1 ZINC000445559005 501001845 /nfs/dbraw/zinc/00/18/45/501001845.db2.gz RMGSUZUTROUVST-UHFFFAOYSA-N -1 3 371.824 3.187 20 0 FGADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1csc(-c2ccc(Cl)s2)n1 ZINC000440388549 501002969 /nfs/dbraw/zinc/00/29/69/501002969.db2.gz ONBSEOXDSAZCRU-UHFFFAOYSA-N -1 3 368.827 3.287 20 0 FGADHM COc1ccc(S(=O)(=O)[N-][C@H]2C[C@H](OC)C2(C)C)c(Cl)c1Cl ZINC000440402758 501005705 /nfs/dbraw/zinc/00/57/05/501005705.db2.gz YOXWVLAOYIHULZ-QWRGUYRKSA-N -1 3 368.282 3.094 20 0 FGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)[C@@H]2[C@H](C)[C@H]2c2ccccc2)c1 ZINC000435756515 501023590 /nfs/dbraw/zinc/02/35/90/501023590.db2.gz RRVJYLJWXVOPKZ-JEBQAFNWSA-N -1 3 358.463 3.355 20 0 FGADHM Cc1nc(C)c(S(=O)(=O)[N-]Cc2ccccc2N(C)C(C)C)s1 ZINC000445740768 501026948 /nfs/dbraw/zinc/02/69/48/501026948.db2.gz KGXUEQRBEOKACJ-UHFFFAOYSA-N -1 3 353.513 3.083 20 0 FGADHM O=C(c1ccccc1)c1cccc(-n2c(=O)[nH]c(CC(F)(F)F)c2[O-])c1 ZINC000445903687 501049490 /nfs/dbraw/zinc/04/94/90/501049490.db2.gz BJJLEIZQGSJDBC-CQSZACIVSA-N -1 3 362.307 3.295 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)c3coc4ccc(OC)cc34)[n-]c21 ZINC000441053282 501080901 /nfs/dbraw/zinc/08/09/01/501080901.db2.gz STDXPOPVUIJHLP-UHFFFAOYSA-N -1 3 365.345 3.357 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3coc4ccc(OC)cc34)nc21 ZINC000441053282 501080905 /nfs/dbraw/zinc/08/09/05/501080905.db2.gz STDXPOPVUIJHLP-UHFFFAOYSA-N -1 3 365.345 3.357 20 0 FGADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)N[C@H]1C[C@@]1(C)c1ccccc1 ZINC000607704142 506233418 /nfs/dbraw/zinc/23/34/18/506233418.db2.gz GOTMBGCVRUCSGM-KKSFZXQISA-N -1 3 362.433 3.011 20 0 FGADHM CCOc1cc(CCCNC(=O)Cc2ccc([O-])c(F)c2)ccc1OC ZINC000449902089 501121783 /nfs/dbraw/zinc/12/17/83/501121783.db2.gz YZPFEMSOXRKOPD-UHFFFAOYSA-N -1 3 361.413 3.230 20 0 FGADHM OC[C@@H](CN=c1[n-]c(C(F)(F)F)cs1)Cc1cc(F)c(F)c(F)c1 ZINC000436419193 501124255 /nfs/dbraw/zinc/12/42/55/501124255.db2.gz BKISZDBSXSWYFH-MRVPVSSYSA-N -1 3 370.318 3.264 20 0 FGADHM O=C(c1ccc2n[n-]nc2c1)N1CCn2c(cc3c2cccc3Cl)C1 ZINC000446524324 501129328 /nfs/dbraw/zinc/12/93/28/501129328.db2.gz XMFNKOPRQZMABT-UHFFFAOYSA-N -1 3 351.797 3.222 20 0 FGADHM O=S(=O)(CCCCF)[N-]c1cc(C(F)(F)F)ccc1-n1cccn1 ZINC000436478994 501135299 /nfs/dbraw/zinc/13/52/99/501135299.db2.gz PBADULRJPLWTLQ-UHFFFAOYSA-N -1 3 365.352 3.383 20 0 FGADHM CCO[C@H](C)c1nc(CN(C)C(=O)Cc2ccc([O-])c(F)c2)cs1 ZINC000449973874 501141624 /nfs/dbraw/zinc/14/16/24/501141624.db2.gz SLNFQTGSHIMCQH-LLVKDONJSA-N -1 3 352.431 3.286 20 0 FGADHM CCOc1nc2cc(C(=O)N[C@@H](CC)c3c(C)nn(C)c3C)ccc2[n-]1 ZINC000449980941 501144366 /nfs/dbraw/zinc/14/43/66/501144366.db2.gz LQCJSWLLPHXDCG-AWEZNQCLSA-N -1 3 355.442 3.193 20 0 FGADHM CCOc1nc2ccc(C(=O)N[C@@H](CC)c3c(C)nn(C)c3C)cc2[n-]1 ZINC000449980941 501144370 /nfs/dbraw/zinc/14/43/70/501144370.db2.gz LQCJSWLLPHXDCG-AWEZNQCLSA-N -1 3 355.442 3.193 20 0 FGADHM COCCOc1ccc([C@H](C)NC(=O)c2cccc(C)c2[O-])cc1OC ZINC000436514370 501144740 /nfs/dbraw/zinc/14/47/40/501144740.db2.gz ONLIITZFYARWKW-AWEZNQCLSA-N -1 3 359.422 3.225 20 0 FGADHM CCC1(CNC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])CCCCC1 ZINC000436525177 501147913 /nfs/dbraw/zinc/14/79/13/501147913.db2.gz DTYMMRPOAJUSRZ-QGZVFWFLSA-N -1 3 358.482 3.474 20 0 FGADHM CC1(C)CCC(CNC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])CC1 ZINC000436524945 501148153 /nfs/dbraw/zinc/14/81/53/501148153.db2.gz LPAIGKSXIHKCRX-QGZVFWFLSA-N -1 3 358.482 3.329 20 0 FGADHM Cc1cc(NC(=O)NCCNC(=O)c2ccc([O-])cc2)ccc1C1CC1 ZINC000436537291 501151065 /nfs/dbraw/zinc/15/10/65/501151065.db2.gz DSAIAUWCBVXBAF-UHFFFAOYSA-N -1 3 353.422 3.130 20 0 FGADHM COC(=O)c1ccc(NC(=O)c2cc(OC)ccc2[O-])c(OC(F)F)c1 ZINC000436546045 501153364 /nfs/dbraw/zinc/15/33/64/501153364.db2.gz FCPCBOAJPXRQAA-UHFFFAOYSA-N -1 3 367.304 3.041 20 0 FGADHM CCOCCOCc1cccc(CNC(=O)c2ccc([O-])c(CC)c2)c1 ZINC000436563867 501157847 /nfs/dbraw/zinc/15/78/47/501157847.db2.gz FOIBYVHFOPXALF-UHFFFAOYSA-N -1 3 357.450 3.438 20 0 FGADHM O=C(Nc1ccc(-n2cncn2)c(F)c1)c1cc2c(cc1[O-])CCCC2 ZINC000436563937 501158028 /nfs/dbraw/zinc/15/80/28/501158028.db2.gz NGZMDSKIZJNJAX-UHFFFAOYSA-N -1 3 352.369 3.243 20 0 FGADHM COc1cc(C)cc(C(=O)Nc2ccnn2Cc2ccc(F)cc2)c1[O-] ZINC000436568142 501158497 /nfs/dbraw/zinc/15/84/97/501158497.db2.gz QVMZKGNYLCLKSP-UHFFFAOYSA-N -1 3 355.369 3.345 20 0 FGADHM Cc1ccc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C)c(C)c2)c([O-])c1 ZINC000436568121 501158879 /nfs/dbraw/zinc/15/88/79/501158879.db2.gz QSKZPDCSYIFYNF-QGZVFWFLSA-N -1 3 370.474 3.471 20 0 FGADHM CC[C@H](NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2)c1c(C)nn(C)c1C ZINC000436575153 501160536 /nfs/dbraw/zinc/16/05/36/501160536.db2.gz MZHFLPAYDQJUIL-HNNXBMFYSA-N -1 3 357.454 3.337 20 0 FGADHM O=C(NCc1cccc(CO)c1)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436585413 501162839 /nfs/dbraw/zinc/16/28/39/501162839.db2.gz MAHWVLULXSLWDX-UHFFFAOYSA-N -1 3 363.413 3.394 20 0 FGADHM CN1CCc2ccc(NC(=O)c3cc4c(cc3[O-])CCCC4)cc2C1=O ZINC000436584144 501163346 /nfs/dbraw/zinc/16/33/46/501163346.db2.gz LQSQOWGPRHCQEW-UHFFFAOYSA-N -1 3 350.418 3.151 20 0 FGADHM Cc1cccc(C(=O)NCc2ccc(C(=O)Nc3cccnc3)cc2)c1[O-] ZINC000436586226 501163993 /nfs/dbraw/zinc/16/39/93/501163993.db2.gz AVNLHPBFBVJOCM-UHFFFAOYSA-N -1 3 361.401 3.278 20 0 FGADHM CC(C)OC(=O)[C@@H](C)N(C)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436591924 501164638 /nfs/dbraw/zinc/16/46/38/501164638.db2.gz YUNZZFVROOIUFS-OAHLLOKOSA-N -1 3 355.434 3.395 20 0 FGADHM CC[C@H](C)NC(=O)c1cc(CN2C(=O)c3ccccc3C2=O)cc(C)c1[O-] ZINC000436593431 501165662 /nfs/dbraw/zinc/16/56/62/501165662.db2.gz BRUQOKKPMVYKBR-ZDUSSCGKSA-N -1 3 366.417 3.025 20 0 FGADHM CC(C)c1ccc(C(=O)N2CCn3c(nnc3C3CCCC3)C2)c([O-])c1 ZINC000436595673 501166112 /nfs/dbraw/zinc/16/61/12/501166112.db2.gz NHOHXOREEXQFDA-UHFFFAOYSA-N -1 3 354.454 3.421 20 0 FGADHM CCC[C@H](C)N(C)C(=O)C(=O)[N-]c1scc(CC(C)C)c1C(=O)OC ZINC000441702957 501166158 /nfs/dbraw/zinc/16/61/58/501166158.db2.gz HRDUEBKUPYLSLU-LBPRGKRZSA-N -1 3 368.499 3.319 20 0 FGADHM CC[C@@H](C)NC(=O)CCNC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436618319 501171102 /nfs/dbraw/zinc/17/11/02/501171102.db2.gz NGHNEPTUBWLIQD-OAHLLOKOSA-N -1 3 354.450 3.018 20 0 FGADHM Cc1ccc(C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2C)c([O-])c1C ZINC000436617358 501171138 /nfs/dbraw/zinc/17/11/38/501171138.db2.gz KJBYJYCIKKDWNX-UHFFFAOYSA-N -1 3 368.433 3.042 20 0 FGADHM C[C@@H]1C[C@@H](NC(=O)c2cc(Br)cc(Cl)c2[O-])CN1C1CC1 ZINC000441786536 501171679 /nfs/dbraw/zinc/17/16/79/501171679.db2.gz JUMMSNDQSHMMAU-PSASIEDQSA-N -1 3 373.678 3.163 20 0 FGADHM Cc1cc(O)c(C(C)C)cc1C(=O)NCCCNC(=O)c1cccc([O-])c1 ZINC000436624131 501172024 /nfs/dbraw/zinc/17/20/24/501172024.db2.gz ABBJFHUQJSKCKI-UHFFFAOYSA-N -1 3 370.449 3.080 20 0 FGADHM COc1cc(C(=O)N(Cc2ccccc2OC)C[C@@H]2CCCO2)ccc1[O-] ZINC000436632536 501173574 /nfs/dbraw/zinc/17/35/74/501173574.db2.gz BOOQIKZBQKZUOH-KRWDZBQOSA-N -1 3 371.433 3.231 20 0 FGADHM Cc1cccc(F)c1NC(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436637919 501175710 /nfs/dbraw/zinc/17/57/10/501175710.db2.gz YRSZLDNJBUVXLW-UHFFFAOYSA-N -1 3 371.412 3.266 20 0 FGADHM C[C@H](CNC(=O)c1c([O-])cccc1O)Oc1cccc(Br)c1 ZINC000436645953 501177427 /nfs/dbraw/zinc/17/74/27/501177427.db2.gz FJFFTZVHCIEVMR-SNVBAGLBSA-N -1 3 366.211 3.058 20 0 FGADHM O=C(Nc1cccc(CN2CC[C@H](O)C2)c1)c1cc(F)cc(Cl)c1[O-] ZINC000436647423 501178105 /nfs/dbraw/zinc/17/81/05/501178105.db2.gz KNMLSXMEHUJBSD-AWEZNQCLSA-N -1 3 364.804 3.004 20 0 FGADHM CCc1ccc(C(=O)N2CCC[C@@](CO)(Cc3ccccc3)C2)c([O-])c1 ZINC000436651567 501179593 /nfs/dbraw/zinc/17/95/93/501179593.db2.gz GPDRXZHJTKLUSE-JOCHJYFZSA-N -1 3 353.462 3.412 20 0 FGADHM CCCN(CCN1CCCCC1)C(=O)c1cc(Br)ccc1[O-] ZINC000436652687 501179664 /nfs/dbraw/zinc/17/96/64/501179664.db2.gz PUJUQJOKQJGJOP-UHFFFAOYSA-N -1 3 369.303 3.493 20 0 FGADHM CCO[C@@H]1C[C@@H](NC(=O)c2cc(OC)c([O-])c(OC)c2)C12CCCCC2 ZINC000436667051 501183374 /nfs/dbraw/zinc/18/33/74/501183374.db2.gz WLGHYIDRNXEGKV-IAGOWNOFSA-N -1 3 363.454 3.267 20 0 FGADHM COc1ccc(NC(=O)c2c([O-])cccc2O)cc1OCc1cccnc1 ZINC000436674147 501184741 /nfs/dbraw/zinc/18/47/41/501184741.db2.gz NUTVJKWUGWBTQF-UHFFFAOYSA-N -1 3 366.373 3.333 20 0 FGADHM 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ZINC000450785163 501208391 /nfs/dbraw/zinc/20/83/91/501208391.db2.gz MRCAXXGJPSZQSG-UHFFFAOYSA-N -1 3 373.526 3.118 20 0 FGADHM CC1(CNC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])CCCCCC1 ZINC000436769403 501208948 /nfs/dbraw/zinc/20/89/48/501208948.db2.gz NMVSCEVFSWTTRY-KRWDZBQOSA-N -1 3 358.482 3.474 20 0 FGADHM COc1ccc(C(=O)N2CCC[C@@H]2c2ccc(OC)cc2OC)c([O-])c1 ZINC000436775529 501209433 /nfs/dbraw/zinc/20/94/33/501209433.db2.gz FMXXODNRBNOFRK-QGZVFWFLSA-N -1 3 357.406 3.395 20 0 FGADHM CCN1CCC[C@H]1CNC(=O)c1cc(Br)cc(Cl)c1[O-] ZINC000436777936 501210280 /nfs/dbraw/zinc/21/02/80/501210280.db2.gz PPQRQVXYGCQSEM-JTQLQIEISA-N -1 3 361.667 3.022 20 0 FGADHM CCN1CCC[C@@H]1CNC(=O)c1cc(Br)cc(Cl)c1[O-] ZINC000436777937 501210340 /nfs/dbraw/zinc/21/03/40/501210340.db2.gz PPQRQVXYGCQSEM-SNVBAGLBSA-N -1 3 361.667 3.022 20 0 FGADHM COC(=O)CSCc1cccc(NC(=O)c2cccc(OC)c2[O-])c1 ZINC000436781596 501210932 /nfs/dbraw/zinc/21/09/32/501210932.db2.gz UTVCCFCVKLLZKP-UHFFFAOYSA-N -1 3 361.419 3.059 20 0 FGADHM 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NMPLZWMFKDBHAW-GFCCVEGCSA-N -1 3 370.696 3.196 20 0 FGADHM CC[C@@](C)(C[N-]S(=O)(=O)c1ccc(Cl)cc1Br)OC ZINC000451795911 501373590 /nfs/dbraw/zinc/37/35/90/501373590.db2.gz KAKNCMZXJIDUFT-LBPRGKRZSA-N -1 3 370.696 3.196 20 0 FGADHM CCSCc1ccc(NC(=O)NCCNC(=O)c2ccc([O-])cc2)cc1 ZINC000455866026 501402569 /nfs/dbraw/zinc/40/25/69/501402569.db2.gz SLPOYNXSSXYSKO-UHFFFAOYSA-N -1 3 373.478 3.197 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N2Cc3ccc(Cl)cc3C2)c([O-])c1 ZINC000458250580 501404021 /nfs/dbraw/zinc/40/40/21/501404021.db2.gz KRWWELJYYXZVFG-UHFFFAOYSA-N -1 3 358.825 3.016 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-][C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000451958050 501408292 /nfs/dbraw/zinc/40/82/92/501408292.db2.gz BOHSCFTVXGFCRM-VIFPVBQESA-N -1 3 363.382 3.140 20 0 FGADHM CCc1ncc(S(=O)(=O)[N-][C@H]2CCc3cc(F)c(F)c(F)c32)s1 ZINC000451962331 501408837 /nfs/dbraw/zinc/40/88/37/501408837.db2.gz HFAYZDQWULLDMF-VIFPVBQESA-N -1 3 362.398 3.089 20 0 FGADHM CCO[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000452072421 501428692 /nfs/dbraw/zinc/42/86/92/501428692.db2.gz WRMAMSWZKNCPCB-CHWSQXEVSA-N -1 3 351.390 3.331 20 0 FGADHM C[C@@]1(F)CCCN(C(=O)c2c[n-]c3ccc(Br)cc3c2=O)C1 ZINC000452198254 501459437 /nfs/dbraw/zinc/45/94/37/501459437.db2.gz UPFWUAGTGZILJM-MRXNPFEDSA-N -1 3 367.218 3.255 20 0 FGADHM C[C@@](Cc1ccccc1)(NC(=O)NCc1nnc(C(F)(F)F)[n-]1)C1CC1 ZINC000458646579 501497890 /nfs/dbraw/zinc/49/78/90/501497890.db2.gz DYYCRENQMANKOU-INIZCTEOSA-N -1 3 367.375 3.034 20 0 FGADHM C[C@@](Cc1ccccc1)(NC(=O)NCc1n[n-]c(C(F)(F)F)n1)C1CC1 ZINC000458646579 501497893 /nfs/dbraw/zinc/49/78/93/501497893.db2.gz DYYCRENQMANKOU-INIZCTEOSA-N -1 3 367.375 3.034 20 0 FGADHM C[C@@](Cc1ccccc1)(NC(=O)NCc1nc(C(F)(F)F)n[n-]1)C1CC1 ZINC000458646579 501497896 /nfs/dbraw/zinc/49/78/96/501497896.db2.gz DYYCRENQMANKOU-INIZCTEOSA-N -1 3 367.375 3.034 20 0 FGADHM COc1cc(C(=O)N[C@@H]2CCc3cc(F)c(F)c(F)c32)cc(OC)c1[O-] ZINC000456464601 501531264 /nfs/dbraw/zinc/53/12/64/501531264.db2.gz XNAUQYCKNCEXPD-LLVKDONJSA-N -1 3 367.323 3.244 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N2CC[C@@H](C(F)(F)F)C[C@@H]2C)c([O-])c1 ZINC000452652775 501538467 /nfs/dbraw/zinc/53/84/67/501538467.db2.gz NMBGBKOIRNUKRN-QWHCGFSZSA-N -1 3 372.387 3.010 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N2CC[C@H](C(F)(F)F)C[C@H]2C)c([O-])c1 ZINC000452652774 501538587 /nfs/dbraw/zinc/53/85/87/501538587.db2.gz NMBGBKOIRNUKRN-OLZOCXBDSA-N -1 3 372.387 3.010 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1ccccc1C(C)(F)F ZINC000452676657 501543236 /nfs/dbraw/zinc/54/32/36/501543236.db2.gz TYLCFMYXKHHIMQ-JTQLQIEISA-N -1 3 374.434 3.165 20 0 FGADHM Cc1c(Br)ccc([O-])c1NC(=O)CCCC(=O)NC(C)C ZINC000452745255 501554708 /nfs/dbraw/zinc/55/47/08/501554708.db2.gz DTEHXPHCBFBJJE-UHFFFAOYSA-N -1 3 357.248 3.097 20 0 FGADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@@H]1CCCc2nn(C)cc21 ZINC000452749449 501555817 /nfs/dbraw/zinc/55/58/17/501555817.db2.gz MEHBYNWCUSMMEC-SNVBAGLBSA-N -1 3 364.243 3.255 20 0 FGADHM O=C(N[C@H]([C@@H](CO)C1CC1)C1CC1)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000452963250 501594014 /nfs/dbraw/zinc/59/40/14/501594014.db2.gz URBBGLLNROSWCT-WFASDCNBSA-N -1 3 365.886 3.319 20 0 FGADHM Cc1nc(S(=O)(=O)[C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)[n-]c1C ZINC000453026922 501604144 /nfs/dbraw/zinc/60/41/44/501604144.db2.gz NYZPHXXZWSUZFQ-JTQLQIEISA-N -1 3 366.830 3.265 20 0 FGADHM CCC[C@@H](NC(=O)N1CCN(C(=O)c2cccc([O-])c2)CC1)C1CCCC1 ZINC000459270356 501622838 /nfs/dbraw/zinc/62/28/38/501622838.db2.gz AYBRDVNTQWVMEO-LJQANCHMSA-N -1 3 373.497 3.219 20 0 FGADHM CCOc1cc(CN2CCN(Cc3ccco3)CC2)cc(Cl)c1[O-] ZINC000459302412 501627269 /nfs/dbraw/zinc/62/72/69/501627269.db2.gz KMPHVVPZGHBDOM-UHFFFAOYSA-N -1 3 350.846 3.355 20 0 FGADHM CCCC(=O)NC[C@H]1CCCN(Cc2cccc([O-])c2Br)C1 ZINC000459323961 501631107 /nfs/dbraw/zinc/63/11/07/501631107.db2.gz KBBFXBSGGSFITN-CYBMUJFWSA-N -1 3 369.303 3.283 20 0 FGADHM Cn1nccc1C1CCN(Cc2cccc([O-])c2Br)CC1 ZINC000459329310 501631479 /nfs/dbraw/zinc/63/14/79/501631479.db2.gz RCCHYPWMBQTZBT-UHFFFAOYSA-N -1 3 350.260 3.268 20 0 FGADHM [O-]c1cccc(CN2CC[C@H](CNc3ccccn3)C2)c1Br ZINC000459331490 501632551 /nfs/dbraw/zinc/63/25/51/501632551.db2.gz VIJTWGZLXFRSSC-CYBMUJFWSA-N -1 3 362.271 3.484 20 0 FGADHM O=c1cc(CN2CC[C@H](CNc3ccccn3)C2)nc(-c2ccccc2)[n-]1 ZINC000459341940 501635040 /nfs/dbraw/zinc/63/50/40/501635040.db2.gz OXRKYYYJDCLPSZ-MRXNPFEDSA-N -1 3 361.449 3.178 20 0 FGADHM CCc1nccn1[C@@H]1CCCN(Cc2cc(=O)[n-]c(-c3ccccc3)n2)C1 ZINC000459360721 501639301 /nfs/dbraw/zinc/63/93/01/501639301.db2.gz YQGSDXFLYLJUKU-GOSISDBHSA-N -1 3 363.465 3.445 20 0 FGADHM Cc1nc(C2(NCc3cccc([O-])c3Br)CCCC2)no1 ZINC000459396685 501646104 /nfs/dbraw/zinc/64/61/04/501646104.db2.gz CRBPDLXUZJAJOO-UHFFFAOYSA-N -1 3 352.232 3.405 20 0 FGADHM CC(C)c1cccc(-n2cc([O-])c(C(=O)N(C)[C@H]3CCN(C(C)C)C3)n2)c1 ZINC000457084262 501647744 /nfs/dbraw/zinc/64/77/44/501647744.db2.gz GGQPJHPBTGVHBT-SFHVURJKSA-N -1 3 370.497 3.256 20 0 FGADHM CCOc1cc(CNCC(=O)N(C)C2CCCCC2)cc(Cl)c1[O-] ZINC000459422391 501650936 /nfs/dbraw/zinc/65/09/36/501650936.db2.gz HYBGYWUUWRGCCM-UHFFFAOYSA-N -1 3 354.878 3.325 20 0 FGADHM CCOc1cc(CNCc2ccc(F)cn2)cc(Br)c1[O-] ZINC000459425183 501652073 /nfs/dbraw/zinc/65/20/73/501652073.db2.gz AZVPFABDNDEDHS-UHFFFAOYSA-N -1 3 355.207 3.377 20 0 FGADHM C[C@@H](NCc1cccc([O-])c1Br)[C@H](O)Cc1ccccc1 ZINC000459443691 501655026 /nfs/dbraw/zinc/65/50/26/501655026.db2.gz FAXWFROGGVLWPS-MLGOLLRUSA-N -1 3 350.256 3.236 20 0 FGADHM COc1cccc(COCCNCc2cccc([O-])c2Br)c1 ZINC000459446228 501655408 /nfs/dbraw/zinc/65/54/08/501655408.db2.gz DRFBNAAHCBLXDD-UHFFFAOYSA-N -1 3 366.255 3.470 20 0 FGADHM CC1(CC(F)(F)F)CN(C(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)C1 ZINC000457130395 501655811 /nfs/dbraw/zinc/65/58/11/501655811.db2.gz YXWWSCQNNZDKFQ-UHFFFAOYSA-N -1 3 360.282 3.221 20 0 FGADHM CCOC(=O)[C@H]1CCN(Cc2cc(=O)[n-]c(C3CC3)n2)c2ccccc21 ZINC000459450296 501655822 /nfs/dbraw/zinc/65/58/22/501655822.db2.gz VKSGPUIPKLECES-INIZCTEOSA-N -1 3 353.422 3.117 20 0 FGADHM Cc1ccccc1C[C@H](CO)NCc1cccc([O-])c1Br ZINC000459507584 501665884 /nfs/dbraw/zinc/66/58/84/501665884.db2.gz KSDLFCLORRRRTC-OAHLLOKOSA-N -1 3 350.256 3.156 20 0 FGADHM C[C@H]1C[C@H]1c1ccc(C[N-]S(=O)(=O)c2ccc3c(c2)C(=O)CCC3)o1 ZINC000582516120 506267012 /nfs/dbraw/zinc/26/70/12/506267012.db2.gz XZDHXILURBOJSS-BLLLJJGKSA-N -1 3 359.447 3.401 20 0 FGADHM [O-]c1cccc(CN2CCN(c3ccc(F)cn3)CC2)c1Br ZINC000459557269 501676150 /nfs/dbraw/zinc/67/61/50/501676150.db2.gz JGXLRIFWOYKZQW-UHFFFAOYSA-N -1 3 366.234 3.011 20 0 FGADHM [O-]c1cccc(CNC[C@@]2(CO)C[C@@H]2c2ccccc2)c1Br ZINC000459559155 501676555 /nfs/dbraw/zinc/67/65/55/501676555.db2.gz HWJRMGNNXMYYGZ-CRAIPNDOSA-N -1 3 362.267 3.411 20 0 FGADHM COc1ccc(CN2CC3(CCC3)[C@@H]3COC[C@@H]32)c(Br)c1[O-] ZINC000459667470 501695966 /nfs/dbraw/zinc/69/59/66/501695966.db2.gz CPUYBWDKDMENIT-OLZOCXBDSA-N -1 3 368.271 3.164 20 0 FGADHM C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1C(=O)N=c1cc(OC(F)F)n(C)[n-]1 ZINC000455197901 501706100 /nfs/dbraw/zinc/70/61/00/501706100.db2.gz BOSIOYRDIAMSTM-BZPMIXESSA-N -1 3 364.396 3.242 20 0 FGADHM CCC1(CC)CN(C(=O)N=c2cc3ccc(Br)cn3[n-]2)C1 ZINC000455247523 501715853 /nfs/dbraw/zinc/71/58/53/501715853.db2.gz OJMZLKFUFDFJED-UHFFFAOYSA-N -1 3 351.248 3.173 20 0 FGADHM O=C(Cn1ncc2ccccc21)Nc1nnc(-c2cc3ccccc3o2)[n-]1 ZINC000485138977 501734827 /nfs/dbraw/zinc/73/48/27/501734827.db2.gz BTLIPIDTVSRDNB-UHFFFAOYSA-N -1 3 358.361 3.206 20 0 FGADHM O=C(Cn1ncc2ccccc21)Nc1nc(-c2cc3ccccc3o2)n[n-]1 ZINC000485138977 501734833 /nfs/dbraw/zinc/73/48/33/501734833.db2.gz BTLIPIDTVSRDNB-UHFFFAOYSA-N -1 3 358.361 3.206 20 0 FGADHM O=C(Cn1ncc2ccccc21)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000485138977 501734837 /nfs/dbraw/zinc/73/48/37/501734837.db2.gz BTLIPIDTVSRDNB-UHFFFAOYSA-N -1 3 358.361 3.206 20 0 FGADHM Cc1nc(S(=O)(=O)[N-]C2(c3c(Cl)cccc3Cl)CC2)cn1C ZINC000470607865 501742322 /nfs/dbraw/zinc/74/23/22/501742322.db2.gz CQPNPYVDANUDRR-UHFFFAOYSA-N -1 3 360.266 3.003 20 0 FGADHM CCN1CCC[C@@H](C[N-]S(=O)(=O)c2oc3ccc(Cl)cc3c2C)C1 ZINC000470612405 501742679 /nfs/dbraw/zinc/74/26/79/501742679.db2.gz RGSHYKNQEWMBCV-ZDUSSCGKSA-N -1 3 370.902 3.405 20 0 FGADHM COC(=O)c1c(F)ccc([N-]C(=O)c2c(F)ccc(F)c2OC)c1F ZINC000485161299 501742669 /nfs/dbraw/zinc/74/26/69/501742669.db2.gz RAZLBBHFKZTEPC-UHFFFAOYSA-N -1 3 357.259 3.291 20 0 FGADHM COC(=O)c1c(F)ccc([N-]C(=O)c2ncccc2C(F)(F)F)c1F ZINC000485169016 501746211 /nfs/dbraw/zinc/74/62/11/501746211.db2.gz NOKZRZLRSUUBFA-UHFFFAOYSA-N -1 3 360.238 3.418 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]c2ccc(OCC(C)(C)O)cc2)cc(C)c1F ZINC000485288300 501778298 /nfs/dbraw/zinc/77/82/98/501778298.db2.gz GUFHHODJQPWZDB-UHFFFAOYSA-N -1 3 367.442 3.393 20 0 FGADHM O=S(=O)([N-][C@H]1COc2ccc(Cl)cc21)c1ccc(Cl)s1 ZINC000474299383 501781366 /nfs/dbraw/zinc/78/13/66/501781366.db2.gz YWZFHOFBIALQDG-VIFPVBQESA-N -1 3 350.248 3.467 20 0 FGADHM CCOC(=O)c1c(C(C)C)csc1[N-]C(=O)C(=O)N1CCCC[C@H]1C ZINC000467397163 501785334 /nfs/dbraw/zinc/78/53/34/501785334.db2.gz RIEWVOOPZUHDKM-GFCCVEGCSA-N -1 3 366.483 3.388 20 0 FGADHM CCC[C@H](C)CS(=O)(=O)[N-][C@H](CO)c1c(Cl)cccc1Cl ZINC000481487897 501788342 /nfs/dbraw/zinc/78/83/42/501788342.db2.gz DIWZXUGKTHCUHL-GXFFZTMASA-N -1 3 354.299 3.382 20 0 FGADHM CCC[C@H](C)CS(=O)(=O)[N-][C@@H](CO)c1c(Cl)cccc1Cl ZINC000481487896 501788501 /nfs/dbraw/zinc/78/85/01/501788501.db2.gz DIWZXUGKTHCUHL-GWCFXTLKSA-N -1 3 354.299 3.382 20 0 FGADHM CC(C)(C)CCS(=O)(=O)[N-][C@@H](CO)c1c(Cl)cccc1Cl ZINC000481499147 501792690 /nfs/dbraw/zinc/79/26/90/501792690.db2.gz ZUJUDKOPVVUOCT-LBPRGKRZSA-N -1 3 354.299 3.382 20 0 FGADHM COc1c2ccccc2oc1C[N-]S(=O)(=O)c1cccc2cnccc21 ZINC000474391993 501818844 /nfs/dbraw/zinc/81/88/44/501818844.db2.gz MZONBCACDJUKMD-UHFFFAOYSA-N -1 3 368.414 3.468 20 0 FGADHM CC(C)Cn1cnc(S(=O)(=O)[N-][C@H](C)c2cc3cccc(F)c3o2)c1 ZINC000474392142 501819041 /nfs/dbraw/zinc/81/90/41/501819041.db2.gz BMKSTOVQPMLFAI-GFCCVEGCSA-N -1 3 365.430 3.464 20 0 FGADHM COCc1nc(S[C@@H](C(=O)NCc2ccccc2)c2ccccc2)n[n-]1 ZINC000474395475 501820683 /nfs/dbraw/zinc/82/06/83/501820683.db2.gz KGNJYQQGEJMDEV-QGZVFWFLSA-N -1 3 368.462 3.101 20 0 FGADHM O=S(=O)([N-][C@@H]1CC[C@H](c2ccccc2F)C1)c1cncc(Cl)c1 ZINC000481591388 501825073 /nfs/dbraw/zinc/82/50/73/501825073.db2.gz HKAPECYXJQKBST-WCQYABFASA-N -1 3 354.834 3.489 20 0 FGADHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1CC[C@@H](CC(C)C)C1 ZINC000467676974 501844349 /nfs/dbraw/zinc/84/43/49/501844349.db2.gz RHDPSUZNERRERP-ZDUSSCGKSA-N -1 3 366.483 3.066 20 0 FGADHM O=C(C[C@H]1OCCc2ccccc21)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1 ZINC000467710988 501850410 /nfs/dbraw/zinc/85/04/10/501850410.db2.gz PLUVALBOPQSTPB-GOSISDBHSA-N -1 3 369.371 3.419 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)[C@H](c1ccccc1)N(C)C ZINC000474573549 501880816 /nfs/dbraw/zinc/88/08/16/501880816.db2.gz IHFXMWAPZYJKMV-PIGZYNQJSA-N -1 3 372.412 3.074 20 0 FGADHM COCCN(C[C@@H]1CC=CCC1)C(=O)c1c[n-]c2c(C)cccc2c1=O ZINC000485645320 501886920 /nfs/dbraw/zinc/88/69/20/501886920.db2.gz UXUJCXLBOKLDLO-MRXNPFEDSA-N -1 3 354.450 3.281 20 0 FGADHM Cc1cc(Br)cc(NC(=O)Cc2c(C)nc(C)[n-]c2=O)c1 ZINC000485671468 501896178 /nfs/dbraw/zinc/89/61/78/501896178.db2.gz OXOPQEGYBNKHRK-UHFFFAOYSA-N -1 3 350.216 3.051 20 0 FGADHM COc1cccc2c(C(=O)Nc3cc4c(cc3Cl)OCCO4)[n-]nc21 ZINC000485691698 501903038 /nfs/dbraw/zinc/90/30/38/501903038.db2.gz IZTQBFLXJCOFOM-UHFFFAOYSA-N -1 3 359.769 3.248 20 0 FGADHM COc1cccc2c(C(=O)Nc3cc4c(cc3Cl)OCCO4)n[n-]c21 ZINC000485691698 501903043 /nfs/dbraw/zinc/90/30/43/501903043.db2.gz IZTQBFLXJCOFOM-UHFFFAOYSA-N -1 3 359.769 3.248 20 0 FGADHM CNS(=O)(=O)c1cccc(NC(=O)c2cc3cc(Cl)sc3[n-]2)c1 ZINC000485699120 501905467 /nfs/dbraw/zinc/90/54/67/501905467.db2.gz VNXICCFECFBSLR-UHFFFAOYSA-N -1 3 369.855 3.043 20 0 FGADHM CCCCc1nc(C(=O)OCC)c(NC(=O)C[C@@H]2CCO[C@H](CC)C2)[n-]1 ZINC000485709512 501910127 /nfs/dbraw/zinc/91/01/27/501910127.db2.gz KJZBMZXJYFYURV-ZIAGYGMSSA-N -1 3 365.474 3.463 20 0 FGADHM CCCCc1nc(NC(=O)C[C@@H]2CCO[C@H](CC)C2)c(C(=O)OCC)[n-]1 ZINC000485709512 501910130 /nfs/dbraw/zinc/91/01/30/501910130.db2.gz KJZBMZXJYFYURV-ZIAGYGMSSA-N -1 3 365.474 3.463 20 0 FGADHM O=C(NCc1ncccc1[O-])Nc1c(F)cc(Br)cc1F ZINC000467952206 501912626 /nfs/dbraw/zinc/91/26/26/501912626.db2.gz LJGOXDHHQQCSAP-UHFFFAOYSA-N -1 3 358.142 3.150 20 0 FGADHM Cc1c(C(=O)NCc2nnc(C(F)(F)F)[n-]2)cccc1-c1ccccn1 ZINC000481910563 501915807 /nfs/dbraw/zinc/91/58/07/501915807.db2.gz AXNZZDYZNWAIRW-UHFFFAOYSA-N -1 3 361.327 3.124 20 0 FGADHM Cc1c(C(=O)NCc2n[n-]c(C(F)(F)F)n2)cccc1-c1ccccn1 ZINC000481910563 501915814 /nfs/dbraw/zinc/91/58/14/501915814.db2.gz AXNZZDYZNWAIRW-UHFFFAOYSA-N -1 3 361.327 3.124 20 0 FGADHM Cc1c(C(=O)NCc2nc(C(F)(F)F)n[n-]2)cccc1-c1ccccn1 ZINC000481910563 501915818 /nfs/dbraw/zinc/91/58/18/501915818.db2.gz AXNZZDYZNWAIRW-UHFFFAOYSA-N -1 3 361.327 3.124 20 0 FGADHM Cc1nc(C)c(S(=O)(=O)[N-]Cc2cccc(-c3cccnc3)c2)s1 ZINC000464183322 501915843 /nfs/dbraw/zinc/91/58/43/501915843.db2.gz HEKHVCVRZRFZGP-UHFFFAOYSA-N -1 3 359.476 3.300 20 0 FGADHM O=C(C[N-]S(=O)(=O)Cc1ccccc1Cl)c1ccccc1Cl ZINC000464187193 501917139 /nfs/dbraw/zinc/91/71/39/501917139.db2.gz 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FGADHM CCc1cc(C(=O)N2CCN([C@@H](C)c3cccc(OC)c3)CC2)ccc1[O-] ZINC000486224289 502088541 /nfs/dbraw/zinc/08/85/41/502088541.db2.gz KMIZQFLXCPPEED-INIZCTEOSA-N -1 3 368.477 3.482 20 0 FGADHM CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000482504330 502090494 /nfs/dbraw/zinc/09/04/94/502090494.db2.gz GBGVSVBWKYWBOZ-AWEZNQCLSA-N -1 3 357.801 3.316 20 0 FGADHM CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000482504330 502090499 /nfs/dbraw/zinc/09/04/99/502090499.db2.gz GBGVSVBWKYWBOZ-AWEZNQCLSA-N -1 3 357.801 3.316 20 0 FGADHM COc1cc(S(=O)(=O)[N-]c2ccc(OCC(F)F)cc2)ccc1F ZINC000471621513 502091164 /nfs/dbraw/zinc/09/11/64/502091164.db2.gz WROLQCLWIUPLKP-UHFFFAOYSA-N -1 3 361.341 3.279 20 0 FGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H](C)Oc1ccccc1 ZINC000486249755 502099468 /nfs/dbraw/zinc/09/94/68/502099468.db2.gz JSWGZNQLXKQEFK-LBPRGKRZSA-N -1 3 355.843 3.094 20 0 FGADHM CC(C)[C@H](C)N(C)C(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000471705665 502113732 /nfs/dbraw/zinc/11/37/32/502113732.db2.gz LETNSABSCROZFQ-JTQLQIEISA-N -1 3 366.405 3.193 20 0 FGADHM CCc1nnc(-c2cccc(NC(=O)c3c[n-]nc3-c3ccncc3)c2)o1 ZINC000471751061 502127524 /nfs/dbraw/zinc/12/75/24/502127524.db2.gz PRSPXOZPNQJYPX-UHFFFAOYSA-N -1 3 360.377 3.336 20 0 FGADHM CCc1nnc(-c2cccc(NC(=O)c3cn[n-]c3-c3ccncc3)c2)o1 ZINC000471751061 502127527 /nfs/dbraw/zinc/12/75/27/502127527.db2.gz PRSPXOZPNQJYPX-UHFFFAOYSA-N -1 3 360.377 3.336 20 0 FGADHM Cc1occc1C(=O)Nc1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1F ZINC000461473382 502127943 /nfs/dbraw/zinc/12/79/43/502127943.db2.gz RVDZZSCDRKSCKR-UHFFFAOYSA-N -1 3 372.805 3.074 20 0 FGADHM CN(C)[C@@H](CNC(=O)CCCc1ccc([O-])c(F)c1)c1ccc(F)cc1 ZINC000468633622 502131941 /nfs/dbraw/zinc/13/19/41/502131941.db2.gz YQAFDIIIRIJCGU-SFHVURJKSA-N -1 3 362.420 3.412 20 0 FGADHM CCOc1ccccc1Oc1ccc(CNC(=O)c2csc(=O)[n-]2)cn1 ZINC000471782367 502135417 /nfs/dbraw/zinc/13/54/17/502135417.db2.gz SWARVVKJYOBKJH-UHFFFAOYSA-N -1 3 371.418 3.365 20 0 FGADHM CC(C)C[C@H](NC(=O)NCc1nnc(C(F)(F)F)[n-]1)c1ccccc1 ZINC000482664416 502144144 /nfs/dbraw/zinc/14/41/44/502144144.db2.gz ULFYCMVRJMKOQD-LBPRGKRZSA-N -1 3 355.364 3.410 20 0 FGADHM CC(C)C[C@H](NC(=O)NCc1n[n-]c(C(F)(F)F)n1)c1ccccc1 ZINC000482664416 502144149 /nfs/dbraw/zinc/14/41/49/502144149.db2.gz ULFYCMVRJMKOQD-LBPRGKRZSA-N -1 3 355.364 3.410 20 0 FGADHM CC(C)C[C@H](NC(=O)NCc1nc(C(F)(F)F)n[n-]1)c1ccccc1 ZINC000482664416 502144155 /nfs/dbraw/zinc/14/41/55/502144155.db2.gz ULFYCMVRJMKOQD-LBPRGKRZSA-N -1 3 355.364 3.410 20 0 FGADHM C[C@@H](Cc1ccccc1Cl)C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C ZINC000461615416 502154457 /nfs/dbraw/zinc/15/44/57/502154457.db2.gz AOMCHEZPGWYFRS-NSHDSACASA-N -1 3 373.840 3.053 20 0 FGADHM Cn1c2cc([O-])c(NC(=O)c3ccc(-c4ccccc4)o3)cc2n(C)c1=O ZINC000461624946 502156863 /nfs/dbraw/zinc/15/68/63/502156863.db2.gz RSRQRZLRRAJHEQ-UHFFFAOYSA-N -1 3 363.373 3.095 20 0 FGADHM Cn1c2cc([O-])c(NC(=O)c3cccc(-c4ccoc4)c3)cc2n(C)c1=O ZINC000461629796 502158229 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CCC[C@H]([N-]S(=O)(=O)c1ccc(C(=O)OCC)o1)c1ccccc1 ZINC000479178030 502184669 /nfs/dbraw/zinc/18/46/69/502184669.db2.gz GBZBKXCURZAYLE-AWEZNQCLSA-N -1 3 351.424 3.276 20 0 FGADHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2cc(-c3ccccc3)ns2)cc1 ZINC000475483079 502185109 /nfs/dbraw/zinc/18/51/09/502185109.db2.gz SGBHBBQBUFHZEB-UHFFFAOYSA-N -1 3 373.459 3.434 20 0 FGADHM O=C(NCCc1csc2ccccc12)NCc1nnc(C(F)(F)F)[n-]1 ZINC000482834148 502192579 /nfs/dbraw/zinc/19/25/79/502192579.db2.gz XEYILWCDBAKCCT-UHFFFAOYSA-N -1 3 369.372 3.080 20 0 FGADHM O=C(NCCc1csc2ccccc12)NCc1n[n-]c(C(F)(F)F)n1 ZINC000482834148 502192582 /nfs/dbraw/zinc/19/25/82/502192582.db2.gz XEYILWCDBAKCCT-UHFFFAOYSA-N -1 3 369.372 3.080 20 0 FGADHM O=C(NCCc1csc2ccccc12)NCc1nc(C(F)(F)F)n[n-]1 ZINC000482834148 502192586 /nfs/dbraw/zinc/19/25/86/502192586.db2.gz XEYILWCDBAKCCT-UHFFFAOYSA-N -1 3 369.372 3.080 20 0 FGADHM CC[C@@H](NC(=O)NCc1ncccc1[O-])c1nc(C(F)(F)F)cs1 ZINC000471990716 502193015 /nfs/dbraw/zinc/19/30/15/502193015.db2.gz 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502207829 /nfs/dbraw/zinc/20/78/29/502207829.db2.gz WBVHFCKEVMBUBK-QGZVFWFLSA-N -1 3 366.417 3.096 20 0 FGADHM Cn1c(CCNC(=O)CCCc2ccc([O-])c(F)c2)nc2c1cccc2F ZINC000468925329 502233055 /nfs/dbraw/zinc/23/30/55/502233055.db2.gz LGNXBNUBWRMQGU-UHFFFAOYSA-N -1 3 373.403 3.239 20 0 FGADHM CCOC(=O)c1ccsc1[N-]C(=O)C(=O)N1CCC(CC)(CC)CC1 ZINC000486694578 502234403 /nfs/dbraw/zinc/23/44/03/502234403.db2.gz NRHIKHPLQVZZEC-UHFFFAOYSA-N -1 3 366.483 3.292 20 0 FGADHM O=S(=O)([N-][C@H]1CCC[C@@H](c2ccccc2)C1)c1cn2c(n1)CCCC2 ZINC000486709111 502239646 /nfs/dbraw/zinc/23/96/46/502239646.db2.gz LJTUDEXKZHKKSZ-SJORKVTESA-N -1 3 359.495 3.224 20 0 FGADHM O=S(=O)([N-][C@H]1CCC[C@H](c2ccccc2)C1)c1cn2c(n1)CCCC2 ZINC000486709110 502239861 /nfs/dbraw/zinc/23/98/61/502239861.db2.gz LJTUDEXKZHKKSZ-IRXDYDNUSA-N -1 3 359.495 3.224 20 0 FGADHM O=C(CCCc1ccc([O-])c(F)c1)NCc1ccc(-n2cccn2)cc1 ZINC000469021350 502267743 /nfs/dbraw/zinc/26/77/43/502267743.db2.gz OLMGXFRYXUVEMN-UHFFFAOYSA-N -1 3 353.397 3.356 20 0 FGADHM 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FGADHM CCOc1nc2ccc(C(=O)N(CC)Cc3ccc4c(c3)OCO4)cc2[n-]1 ZINC000469445632 502421325 /nfs/dbraw/zinc/42/13/25/502421325.db2.gz FDFKWFIDHIRBSY-UHFFFAOYSA-N -1 3 367.405 3.353 20 0 FGADHM CCOC(=O)[C@H]([N-]S(=O)(=O)c1ccc(C)cc1)c1cccc(C)c1C ZINC000472748387 502429278 /nfs/dbraw/zinc/42/92/78/502429278.db2.gz IBGPSMDZRBZHTN-GOSISDBHSA-N -1 3 361.463 3.195 20 0 FGADHM Cc1ccccc1CN(C(=O)NCc1nnc(C(F)(F)F)[n-]1)C1CC1 ZINC000483569196 502434509 /nfs/dbraw/zinc/43/45/09/502434509.db2.gz BKOPDIJGBANXGF-UHFFFAOYSA-N -1 3 353.348 3.006 20 0 FGADHM Cc1ccccc1CN(C(=O)NCc1n[n-]c(C(F)(F)F)n1)C1CC1 ZINC000483569196 502434511 /nfs/dbraw/zinc/43/45/11/502434511.db2.gz BKOPDIJGBANXGF-UHFFFAOYSA-N -1 3 353.348 3.006 20 0 FGADHM Cc1ccccc1CN(C(=O)NCc1nc(C(F)(F)F)n[n-]1)C1CC1 ZINC000483569196 502434515 /nfs/dbraw/zinc/43/45/15/502434515.db2.gz BKOPDIJGBANXGF-UHFFFAOYSA-N -1 3 353.348 3.006 20 0 FGADHM CC(=O)c1ccc(C(=O)N2CCC(C)(C(=O)OC(C)(C)C)CC2)cc1[O-] ZINC000592951054 506314115 /nfs/dbraw/zinc/31/41/15/506314115.db2.gz XFWHIXIKFDSRRO-UHFFFAOYSA-N -1 3 361.438 3.179 20 0 FGADHM C[C@@H](C[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)COCc1ccccc1 ZINC000462512684 502471056 /nfs/dbraw/zinc/47/10/56/502471056.db2.gz KGICOPAGAUHTCU-LBPRGKRZSA-N -1 3 373.396 3.235 20 0 FGADHM CCCCOCC[N-]S(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000462520883 502474066 /nfs/dbraw/zinc/47/40/66/502474066.db2.gz MNOAMTKTVNYJQD-UHFFFAOYSA-N -1 3 356.271 3.097 20 0 FGADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@@H]2CC=CCC2)s1 ZINC000462547306 502482118 /nfs/dbraw/zinc/48/21/18/502482118.db2.gz FSUVXAPSJPQBOO-SNVBAGLBSA-N -1 3 350.303 3.454 20 0 FGADHM COc1cc(C(=O)N=c2[nH]n([C@H](C)c3ccccc3)cc2C)ccc1[O-] ZINC000472955766 502482917 /nfs/dbraw/zinc/48/29/17/502482917.db2.gz UBNYPEHDIDHBAG-CQSZACIVSA-N -1 3 351.406 3.189 20 0 FGADHM CO[C@H](C[N-]S(=O)(=O)c1csc(-c2ccccc2)n1)c1ccccc1 ZINC000462573908 502491624 /nfs/dbraw/zinc/49/16/24/502491624.db2.gz ICPWZYOZIMRFNI-MRXNPFEDSA-N -1 3 374.487 3.476 20 0 FGADHM CCOC(=O)[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)[C@H](C)CC ZINC000462584837 502495561 /nfs/dbraw/zinc/49/55/61/502495561.db2.gz OPNUANHUYVCBNS-NOZJJQNGSA-N -1 3 368.282 3.250 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2cc(NC(C)=O)ccc2Cl)c(F)c1 ZINC000480228678 502507851 /nfs/dbraw/zinc/50/78/51/502507851.db2.gz OGOGHJPBBJIYAE-UHFFFAOYSA-N -1 3 372.805 3.247 20 0 FGADHM CC[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)c1c(C)nn(C)c1C ZINC000462618026 502509131 /nfs/dbraw/zinc/50/91/31/502509131.db2.gz ODRQEYNRVGLKNI-CYBMUJFWSA-N -1 3 359.854 3.259 20 0 FGADHM CC(C)c1cccc(-n2cc([O-])c(C(=O)N[C@H]3C[C@@H](C)N(C4CC4)C3)n2)c1 ZINC000469720990 502515890 /nfs/dbraw/zinc/51/58/90/502515890.db2.gz MNZPADADRYDLAQ-ZBFHGGJFSA-N -1 3 368.481 3.056 20 0 FGADHM COc1cc2c(c(OC)c1OC)CCN(Cc1cc([O-])cc(F)c1)CC2 ZINC000473137036 502525191 /nfs/dbraw/zinc/52/51/91/502525191.db2.gz GBMJCMGNFBKSGN-UHFFFAOYSA-N -1 3 361.413 3.158 20 0 FGADHM CCOc1nc2cc(C(=O)N[C@@H](C)CC(=O)c3ccccc3)ccc2[n-]1 ZINC000469740895 502527679 /nfs/dbraw/zinc/52/76/79/502527679.db2.gz FIGBXVDKHPCGAM-ZDUSSCGKSA-N -1 3 351.406 3.353 20 0 FGADHM CCOc1nc2ccc(C(=O)N[C@@H](C)CC(=O)c3ccccc3)cc2[n-]1 ZINC000469740895 502527685 /nfs/dbraw/zinc/52/76/85/502527685.db2.gz FIGBXVDKHPCGAM-ZDUSSCGKSA-N -1 3 351.406 3.353 20 0 FGADHM O=C1NCCN(Cc2cc([O-])cc(F)c2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000473144046 502528414 /nfs/dbraw/zinc/52/84/14/502528414.db2.gz WKOKBAGKVXEXIS-INIZCTEOSA-N -1 3 368.330 3.223 20 0 FGADHM C[C@H]1CN(Cc2ccccc2)C[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000462680273 502532316 /nfs/dbraw/zinc/53/23/16/502532316.db2.gz PUYLDJLMSZNCNJ-JSGCOSHPSA-N -1 3 370.927 3.200 20 0 FGADHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)C12CCCC2 ZINC000462687409 502535100 /nfs/dbraw/zinc/53/51/00/502535100.db2.gz ZCFKEKVPIKFMQM-ZIAGYGMSSA-N -1 3 363.401 3.120 20 0 FGADHM CCCOc1ccc(NC(=O)NCc2nnc(C(F)(F)F)[n-]2)c(C)c1 ZINC000480317448 502536221 /nfs/dbraw/zinc/53/62/21/502536221.db2.gz XOEQKLMADZPDLI-UHFFFAOYSA-N -1 3 357.336 3.242 20 0 FGADHM CCCOc1ccc(NC(=O)NCc2n[n-]c(C(F)(F)F)n2)c(C)c1 ZINC000480317448 502536227 /nfs/dbraw/zinc/53/62/27/502536227.db2.gz XOEQKLMADZPDLI-UHFFFAOYSA-N -1 3 357.336 3.242 20 0 FGADHM CCCOc1ccc(NC(=O)NCc2nc(C(F)(F)F)n[n-]2)c(C)c1 ZINC000480317448 502536233 /nfs/dbraw/zinc/53/62/33/502536233.db2.gz XOEQKLMADZPDLI-UHFFFAOYSA-N -1 3 357.336 3.242 20 0 FGADHM CCC[C@@H]([N-]S(=O)(=O)C[C@H](C)c1ccccc1)C(=O)OC(C)(C)C ZINC000462692801 502536396 /nfs/dbraw/zinc/53/63/96/502536396.db2.gz YKSUNQAGHJHTMH-GOEBONIOSA-N -1 3 355.500 3.220 20 0 FGADHM Cc1cccc(S(=O)(=O)[N-]C[C@@H](C)C(F)(F)F)c1Br ZINC000476601201 502539359 /nfs/dbraw/zinc/53/93/59/502539359.db2.gz KBFMGFABJCHTNU-MRVPVSSYSA-N -1 3 360.195 3.234 20 0 FGADHM CCOC[C@H](NC(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1)C(C)C ZINC000476619272 502543310 /nfs/dbraw/zinc/54/33/10/502543310.db2.gz TUVCDRNAHVTJSG-IBGZPJMESA-N -1 3 355.434 3.414 20 0 FGADHM C[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1F)Oc1cccc(F)c1 ZINC000462711974 502543846 /nfs/dbraw/zinc/54/38/46/502543846.db2.gz TUJLMNQZEQYTAA-SNVBAGLBSA-N -1 3 361.797 3.364 20 0 FGADHM Cc1ccc2c(c1)CCN(Cc1nc3c(cnn3-c3ccccc3)c(=O)[n-]1)C2 ZINC000483999181 502545873 /nfs/dbraw/zinc/54/58/73/502545873.db2.gz APCPOTYPIBBPCT-UHFFFAOYSA-N -1 3 371.444 3.388 20 0 FGADHM CCC1(C)CN(C(=O)c2c[n-]c3c(OC(F)(F)F)cccc3c2=O)C1 ZINC000462743402 502555855 /nfs/dbraw/zinc/55/58/55/502555855.db2.gz XFQGNAOAPSFHHA-UHFFFAOYSA-N -1 3 354.328 3.299 20 0 FGADHM CCc1c(C(=O)N=c2cc(-c3ccncc3)[n-][nH]2)cnn1C(CC)CC ZINC000484057752 502559454 /nfs/dbraw/zinc/55/94/54/502559454.db2.gz RRAQKAKKKFWMHD-UHFFFAOYSA-N -1 3 352.442 3.266 20 0 FGADHM CCc1cc2c([n-]c(CC(=O)NCc3ccc(F)c(F)c3)nc2=O)s1 ZINC000466410034 502562153 /nfs/dbraw/zinc/56/21/53/502562153.db2.gz PPMRJNAKEUNFBJ-UHFFFAOYSA-N -1 3 363.389 3.096 20 0 FGADHM O=S(=O)([N-]CC1(C(F)F)CC1)c1ccc(Cl)c(Br)c1 ZINC000480436578 502569141 /nfs/dbraw/zinc/56/91/41/502569141.db2.gz MWGTWHYEPBNEHQ-UHFFFAOYSA-N -1 3 374.634 3.426 20 0 FGADHM CO[C@H]1CN(C(=O)c2ccc(C(=O)c3cccc([O-])c3)cc2)CC[C@@H]1C ZINC000469877581 502579794 /nfs/dbraw/zinc/57/97/94/502579794.db2.gz AVJPGMVOOGWLSG-LIRRHRJNSA-N -1 3 353.418 3.120 20 0 FGADHM O=C([N-]c1nnc(-c2ccc(Cl)cc2F)s1)c1cnn2ncccc12 ZINC000473392980 502581107 /nfs/dbraw/zinc/58/11/07/502581107.db2.gz GOOYWRXCSMDJOO-UHFFFAOYSA-N -1 3 374.788 3.293 20 0 FGADHM CC(C)[C@H]1C[C@@H]1C(=O)Nc1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1F ZINC000476783305 502585690 /nfs/dbraw/zinc/58/56/90/502585690.db2.gz YEZJATVDAWISJZ-MNOVXSKESA-N -1 3 374.865 3.150 20 0 FGADHM Cc1cc(C(=O)N[C@@H](c2cccc(Cl)c2)c2ccccn2)[n-]c(=O)n1 ZINC000473407305 502586758 /nfs/dbraw/zinc/58/67/58/502586758.db2.gz JXKNWFUEJCSGCD-INIZCTEOSA-N -1 3 354.797 3.058 20 0 FGADHM C[C@@H](C(=O)Nc1ccc([O-])cc1F)[C@@H](C)C(=O)Nc1ccc(O)cc1F ZINC000480572622 502607859 /nfs/dbraw/zinc/60/78/59/502607859.db2.gz DXGBVRADHWFSDQ-NXEZZACHSA-N -1 3 364.348 3.225 20 0 FGADHM O=C(NCCCCC1CCCC1)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000466583818 502615681 /nfs/dbraw/zinc/61/56/81/502615681.db2.gz FZXFVPOMULSCAZ-UHFFFAOYSA-N -1 3 373.497 3.220 20 0 FGADHM Cc1oc2ccccc2c1CC(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000466601896 502620008 /nfs/dbraw/zinc/62/00/08/502620008.db2.gz TVTUMNGOBULUPE-UHFFFAOYSA-N -1 3 358.419 3.294 20 0 FGADHM CCOc1cccc([C@H]2C[C@@H]2[N-]S(=O)(=O)c2ccc(OC)cc2F)c1 ZINC000480689912 502643472 /nfs/dbraw/zinc/64/34/72/502643472.db2.gz PMGIOPIJXIWIGV-WBVHZDCISA-N -1 3 365.426 3.067 20 0 FGADHM COc1cccc(C(C)(C)C[N-]S(=O)(=O)c2ccc(OC)cc2F)c1 ZINC000480708204 502649890 /nfs/dbraw/zinc/64/98/90/502649890.db2.gz IBEQUAVLOPGEIO-UHFFFAOYSA-N -1 3 367.442 3.099 20 0 FGADHM CC(C)(C)Cc1cc(=NC(=O)c2c[n-]nc2-c2c(F)cccc2F)[nH][nH]1 ZINC000488200750 502655969 /nfs/dbraw/zinc/65/59/69/502655969.db2.gz ROCLTYVVHVAOIA-UHFFFAOYSA-N -1 3 359.380 3.341 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)c1cccc(COC2CCOCC2)c1 ZINC000488209832 502658531 /nfs/dbraw/zinc/65/85/31/502658531.db2.gz KQEBOLAVSFHXHL-UHFFFAOYSA-N -1 3 359.397 3.157 20 0 FGADHM CCCOc1c(Cl)cc(C(=O)NCc2ncccc2[O-])cc1OC ZINC000473629693 502660585 /nfs/dbraw/zinc/66/05/85/502660585.db2.gz JXNXZSQAACZERQ-UHFFFAOYSA-N -1 3 350.802 3.168 20 0 FGADHM O=C(COc1cc(Cl)c(Cl)cc1Cl)NCc1ncccc1[O-] ZINC000473637555 502662076 /nfs/dbraw/zinc/66/20/76/502662076.db2.gz VXJCGWQVTKKIQL-UHFFFAOYSA-N -1 3 361.612 3.443 20 0 FGADHM O=C(NCc1ncccc1[O-])c1cnn(-c2ccc(Cl)cc2Cl)c1 ZINC000473642807 502664538 /nfs/dbraw/zinc/66/45/38/502664538.db2.gz XRNICEKWFSJXRE-UHFFFAOYSA-N -1 3 363.204 3.210 20 0 FGADHM Cc1ncc(NC(=O)c2n[n-]c(-c3ccccc3)c2Br)cn1 ZINC000488239899 502666745 /nfs/dbraw/zinc/66/67/45/502666745.db2.gz RAULYWDSBVKUID-UHFFFAOYSA-N -1 3 358.199 3.190 20 0 FGADHM Cc1ncc(NC(=O)c2[n-]nc(-c3ccccc3)c2Br)cn1 ZINC000488239899 502666752 /nfs/dbraw/zinc/66/67/52/502666752.db2.gz RAULYWDSBVKUID-UHFFFAOYSA-N -1 3 358.199 3.190 20 0 FGADHM COC(=O)c1cnc(SCCOc2cccc(Br)c2)[n-]1 ZINC000484559560 502669207 /nfs/dbraw/zinc/66/92/07/502669207.db2.gz USYFWMYFCVZNDX-UHFFFAOYSA-N -1 3 357.229 3.130 20 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QLINFTXTFZVRTO-UHFFFAOYSA-N -1 3 355.304 3.452 20 0 FGADHM Cc1nc2cc(C(=O)Nc3nc(-c4c(F)cccc4F)n[n-]3)ccc2o1 ZINC000473697908 502680891 /nfs/dbraw/zinc/68/08/91/502680891.db2.gz QLINFTXTFZVRTO-UHFFFAOYSA-N -1 3 355.304 3.452 20 0 FGADHM Cc1nc2cc(C(=O)Nc3n[n-]c(-c4c(F)cccc4F)n3)ccc2o1 ZINC000473697908 502680897 /nfs/dbraw/zinc/68/08/97/502680897.db2.gz QLINFTXTFZVRTO-UHFFFAOYSA-N -1 3 355.304 3.452 20 0 FGADHM CC(C)(C)OC(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)CC1CCCC1 ZINC000480840667 502685032 /nfs/dbraw/zinc/68/50/32/502685032.db2.gz HVCHYHXBUOBLGL-QGZVFWFLSA-N -1 3 367.511 3.049 20 0 FGADHM O=C(NCc1noc(-c2cccc(Br)c2)n1)c1cccc([O-])c1 ZINC000477132709 502686440 /nfs/dbraw/zinc/68/64/40/502686440.db2.gz CYLGABQYHZQNJE-UHFFFAOYSA-N -1 3 374.194 3.135 20 0 FGADHM COc1cc(C(=O)NCC2(O)CCC(C(C)(C)C)CC2)cc(OC)c1[O-] ZINC000488347068 502689427 /nfs/dbraw/zinc/68/94/27/502689427.db2.gz SXILUKNWISYCOK-UHFFFAOYSA-N -1 3 365.470 3.107 20 0 FGADHM CC(C)c1csc(C[N-]S(=O)(=O)c2ccc3c(c2)CC(C)(C)O3)n1 ZINC000477162441 502695738 /nfs/dbraw/zinc/69/57/38/502695738.db2.gz LKGLZACBLSPIPG-UHFFFAOYSA-N -1 3 366.508 3.459 20 0 FGADHM CC(C)=CCNC(=O)c1sccc1S(=O)(=O)[N-]C1CCCCCC1 ZINC000480928667 502707554 /nfs/dbraw/zinc/70/75/54/502707554.db2.gz BGBKSQCPXFWDMM-UHFFFAOYSA-N -1 3 370.540 3.445 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(N[C@@H](C)c3nncn3C)cc2)cc1 ZINC000488430291 502712808 /nfs/dbraw/zinc/71/28/08/502712808.db2.gz LDGVXSZOUMFTCM-AWEZNQCLSA-N -1 3 371.466 3.097 20 0 FGADHM O=C(NCc1ncccc1[O-])Nc1cc(Br)c(F)cc1F ZINC000470252612 502716234 /nfs/dbraw/zinc/71/62/34/502716234.db2.gz SVNBWVNSXKCBOQ-UHFFFAOYSA-N -1 3 358.142 3.150 20 0 FGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]CC1(C)CCC(C)CC1 ZINC000480982658 502719284 /nfs/dbraw/zinc/71/92/84/502719284.db2.gz QTCRNHYQGCYWKH-UHFFFAOYSA-N -1 3 357.447 3.107 20 0 FGADHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)c1ccc(Cl)cc1Br ZINC000473848577 502722786 /nfs/dbraw/zinc/72/27/86/502722786.db2.gz SMGCELNHCJHMPC-GFCCVEGCSA-N -1 3 370.634 3.351 20 0 FGADHM COC(=O)c1cc(C(=O)Nc2ccc(Br)c(Cl)c2)c[n-]1 ZINC000484735605 502724603 /nfs/dbraw/zinc/72/46/03/502724603.db2.gz YJNFDMWNNKODJI-UHFFFAOYSA-N -1 3 357.591 3.470 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]CCc2ccc3c(c2)CCO3)sc1Cl ZINC000473855103 502725862 /nfs/dbraw/zinc/72/58/62/502725862.db2.gz LQOJJTDVWDNDGO-UHFFFAOYSA-N -1 3 357.884 3.166 20 0 FGADHM COc1ccc(S(=O)(=O)[N-][C@@H](c2ncccc2C)C(C)C)c(F)c1 ZINC000481006632 502726581 /nfs/dbraw/zinc/72/65/81/502726581.db2.gz CMLLTFYBJOGSPL-MRXNPFEDSA-N -1 3 352.431 3.213 20 0 FGADHM Cc1ncsc1C[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000473858008 502727910 /nfs/dbraw/zinc/72/79/10/502727910.db2.gz UIIXIHTTXIYXCA-UHFFFAOYSA-N -1 3 355.243 3.376 20 0 FGADHM C[C@H]1CCCC[C@@H]1OCCNC(=O)Cc1ccc(Br)cc1[O-] ZINC000477280300 502728121 /nfs/dbraw/zinc/72/81/21/502728121.db2.gz MCUPIMSJRCZTHQ-LRDDRELGSA-N -1 3 370.287 3.409 20 0 FGADHM CCO[C@H](CC[N-]S(=O)(=O)c1ccc(OC)cc1F)C1CCCC1 ZINC000481022698 502730471 /nfs/dbraw/zinc/73/04/71/502730471.db2.gz 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503402402 /nfs/dbraw/zinc/40/24/02/503402402.db2.gz SLFMJGAPWFKENO-GOSISDBHSA-N -1 3 373.478 3.047 20 0 FGADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-]CCC(C)(C)C ZINC000503429638 503407450 /nfs/dbraw/zinc/40/74/50/503407450.db2.gz QSDLACDDOMEIQB-UHFFFAOYSA-N -1 3 368.268 3.311 20 0 FGADHM Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)c([O-])c1 ZINC000499477302 503415432 /nfs/dbraw/zinc/41/54/32/503415432.db2.gz AZYZHDOEGRARRR-NSHDSACASA-N -1 3 362.788 3.485 20 0 FGADHM COc1cc(C(=O)Nc2nnc(-c3ccccn3)[n-]2)cc(OC)c1C(C)C ZINC000511921690 503416766 /nfs/dbraw/zinc/41/67/66/503416766.db2.gz VRDDYSRXQRIAJV-UHFFFAOYSA-N -1 3 367.409 3.260 20 0 FGADHM COc1cc(C(=O)Nc2nc(-c3ccccn3)n[n-]2)cc(OC)c1C(C)C ZINC000511921690 503416769 /nfs/dbraw/zinc/41/67/69/503416769.db2.gz VRDDYSRXQRIAJV-UHFFFAOYSA-N -1 3 367.409 3.260 20 0 FGADHM COc1cc(C(=O)Nc2n[n-]c(-c3ccccn3)n2)cc(OC)c1C(C)C ZINC000511921690 503416773 /nfs/dbraw/zinc/41/67/73/503416773.db2.gz VRDDYSRXQRIAJV-UHFFFAOYSA-N -1 3 367.409 3.260 20 0 FGADHM 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504531391 /nfs/dbraw/zinc/53/13/91/504531391.db2.gz JWGVHVHWEBMHGQ-UHFFFAOYSA-N -1 3 360.888 3.273 20 0 FGADHM CO[C@@H](c1ccccc1F)[C@H](C)[N-]S(=O)(=O)Cc1c(F)cccc1F ZINC000539386723 504551396 /nfs/dbraw/zinc/55/13/96/504551396.db2.gz RLKGNQMFEJIHJS-APPDUMDISA-N -1 3 373.396 3.300 20 0 FGADHM CCN(CCc1ccccc1)C(=O)c1c[n-]c2cc(F)c(OC)cc2c1=O ZINC000539415075 504564361 /nfs/dbraw/zinc/56/43/61/504564361.db2.gz YWQQOUGXUBFVCY-UHFFFAOYSA-N -1 3 368.408 3.381 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CCCO[C@@H]2c2ccc(C)cc2)c1 ZINC000535855365 504565444 /nfs/dbraw/zinc/56/54/44/504565444.db2.gz NPOLGONBWOICSM-UYAOXDASSA-N -1 3 368.433 3.309 20 0 FGADHM O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1cc(F)cc2[n-]nnc21 ZINC000548803719 504573384 /nfs/dbraw/zinc/57/33/84/504573384.db2.gz KTTPXYAXCCCJTD-UHFFFAOYSA-N -1 3 354.341 3.391 20 0 FGADHM O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1cc(F)cc2nn[n-]c21 ZINC000548803719 504573387 /nfs/dbraw/zinc/57/33/87/504573387.db2.gz KTTPXYAXCCCJTD-UHFFFAOYSA-N -1 3 354.341 3.391 20 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CC(C)(C)[C@@H](N[C@@H]1CCN(CC(=O)[O-])C1=O)c1cccc(C(F)(F)F)c1 ZINC000595877558 507723044 /nfs/dbraw/zinc/72/30/44/507723044.db2.gz IPGFOZRCXDYICX-HIFRSBDPSA-N -1 3 372.387 3.068 20 0 FGADHM Cc1cc(C(=O)Nc2cc(I)ccc2[O-])ccc1O ZINC000611529042 507724270 /nfs/dbraw/zinc/72/42/70/507724270.db2.gz KVHLCVROQAAOIL-UHFFFAOYSA-N -1 3 369.158 3.263 20 0 FGADHM CCO[C@H](CC(=O)Nc1nnc(-c2ccc3ccccc3n2)[n-]1)C(C)C ZINC000615121824 507760805 /nfs/dbraw/zinc/76/08/05/507760805.db2.gz CGCHJXCBINEZRM-MRXNPFEDSA-N -1 3 353.426 3.410 20 0 FGADHM CCO[C@H](CC(=O)Nc1nc(-c2ccc3ccccc3n2)n[n-]1)C(C)C ZINC000615121824 507760807 /nfs/dbraw/zinc/76/08/07/507760807.db2.gz CGCHJXCBINEZRM-MRXNPFEDSA-N -1 3 353.426 3.410 20 0 FGADHM CCO[C@H](CC(=O)Nc1n[n-]c(-c2ccc3ccccc3n2)n1)C(C)C ZINC000615121824 507760809 /nfs/dbraw/zinc/76/08/09/507760809.db2.gz CGCHJXCBINEZRM-MRXNPFEDSA-N -1 3 353.426 3.410 20 0 FGADHM COC(=O)c1cc(Cl)cc(NC(=O)[C@@H](C)Sc2ccccn2)c1[O-] ZINC000588098212 507760978 /nfs/dbraw/zinc/76/09/78/507760978.db2.gz IUIMMOYHTWHRCO-SECBINFHSA-N -1 3 366.826 3.347 20 0 FGADHM COC(=O)c1cc(Cl)cc(NC(=O)c2ccnn2-c2ccccc2)c1[O-] ZINC000588100339 507762328 /nfs/dbraw/zinc/76/23/28/507762328.db2.gz ZTJZUEZNITXEDW-UHFFFAOYSA-N -1 3 371.780 3.270 20 0 FGADHM CN1CCC(=O)Nc2cc(C(=O)N=c3cc(-c4ccccc4)[n-][nH]3)ccc21 ZINC000488945409 514645553 /nfs/dbraw/zinc/64/55/53/514645553.db2.gz CHPDWMDAZPKHGT-UHFFFAOYSA-N -1 3 361.405 3.107 20 0 FGADHM CC[C@H](C)[C@@H](OC)C(=O)N=c1[nH][n-]c(C)c1-c1ccc2c(c1)OCCO2 ZINC000480363866 514932580 /nfs/dbraw/zinc/93/25/80/514932580.db2.gz LPJUVFVXAFTWDT-APPDUMDISA-N -1 3 359.426 3.156 20 0 FGADHM Cn1[n-]c(=NC(=O)c2ccc(Cl)c3cccnc23)cc1OC(F)F ZINC000490930093 515335147 /nfs/dbraw/zinc/33/51/47/515335147.db2.gz ZWAUODJPLSNGIH-UHFFFAOYSA-N -1 3 352.728 3.475 20 0 FGADHM CCOc1ccccc1OCCCC(=O)N=c1cc(OC(F)F)n(C)[n-]1 ZINC000490944614 515338902 /nfs/dbraw/zinc/33/89/02/515338902.db2.gz RNSDKSAHJMAPKY-UHFFFAOYSA-N -1 3 369.368 3.218 20 0 FGADHM Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)N=c2cc(OC(F)F)n(C)[n-]2)cc1 ZINC000490945854 515339344 /nfs/dbraw/zinc/33/93/44/515339344.db2.gz YUDRUOXJVSOTEN-BBRMVZONSA-N -1 3 365.380 3.436 20 0 FGADHM Cc1cc(C(=O)N=c2cc(OC(F)F)n(C)[n-]2)c(Br)s1 ZINC000490967262 515346204 /nfs/dbraw/zinc/34/62/04/515346204.db2.gz IXKJWZHNZGHIHL-UHFFFAOYSA-N -1 3 366.187 3.406 20 0 FGADHM Cn1[n-]c(=NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1OC(F)F ZINC000491000833 515354378 /nfs/dbraw/zinc/35/43/78/515354378.db2.gz JFILXKWRWBRZHM-UHFFFAOYSA-N -1 3 359.760 3.471 20 0 FGADHM Cn1[n-]c(=NC(=O)CCc2ccc(Br)cc2)cc1OC(F)F ZINC000491044411 515364586 /nfs/dbraw/zinc/36/45/86/515364586.db2.gz DGZXLSPXTBDKGB-UHFFFAOYSA-N -1 3 374.185 3.355 20 0 FGADHM Cc1nc(C)c(C(=O)N=c2cc3ccc(Br)cn3[n-]2)s1 ZINC000511314970 515862490 /nfs/dbraw/zinc/86/24/90/515862490.db2.gz LQKCXIBIIIWPOK-UHFFFAOYSA-N -1 3 351.229 3.422 20 0 FGADHM O=C(NC1CCN(CCc2ccccc2)CC1)c1csc(=NC2CC2)[n-]1 ZINC000495180724 516091887 /nfs/dbraw/zinc/09/18/87/516091887.db2.gz APDGVTDHIGGPMP-UHFFFAOYSA-N -1 3 370.522 3.154 20 0 FGADHM CCN=c1[n-]c(C(=O)Nc2cc(C(=O)NCC)c3ccccc3n2)cs1 ZINC000496880352 516286506 /nfs/dbraw/zinc/28/65/06/516286506.db2.gz HVSWPVQCUCPHLV-UHFFFAOYSA-N -1 3 369.450 3.125 20 0 FGADHM O=C(Cc1cc(Cl)cc2c1OCC2)N=c1cc(-c2cccnc2)[n-][nH]1 ZINC000544593460 516828267 /nfs/dbraw/zinc/82/82/67/516828267.db2.gz JHTNXJRYWXCESR-UHFFFAOYSA-N -1 3 354.797 3.241 20 0 FGADHM Cc1ccccc1-c1cc(=NC(=O)c2cn(Cc3cccs3)nn2)[nH][n-]1 ZINC000525239502 516974194 /nfs/dbraw/zinc/97/41/94/516974194.db2.gz WQYJDRYGMRQCLS-UHFFFAOYSA-N -1 3 364.434 3.339 20 0 FGADHM C[C@H]1C[C@H](NC(=O)N=c2ccc(C3CC3)n[n-]2)CN1Cc1ccccc1 ZINC000532566527 517038959 /nfs/dbraw/zinc/03/89/59/517038959.db2.gz RAOTVEBOFDDMKH-YOEHRIQHSA-N -1 3 351.454 3.139 20 0 FGADHM COc1ccc(C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)c(Br)c1 ZINC000525967008 517260882 /nfs/dbraw/zinc/26/08/82/517260882.db2.gz KJCRHBVSQMFPRN-ZDUSSCGKSA-N -1 3 366.215 3.285 20 0 FGADHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000525966878 517261365 /nfs/dbraw/zinc/26/13/65/517261365.db2.gz BGJPWVGCOAQCMN-FUHWJXTLSA-N -1 3 354.454 3.112 20 0 FGADHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000526960301 517412070 /nfs/dbraw/zinc/41/20/70/517412070.db2.gz WSSNCAQAPGPHLE-BFVZDQMLSA-N -1 3 351.328 3.421 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@@H]2CC(=O)N[C@H]3CCCC[C@@H]23)c1-c1ccc(F)cc1 ZINC000530277669 517673816 /nfs/dbraw/zinc/67/38/16/517673816.db2.gz WOYGSJCOEUSTJR-XHSDSOJGSA-N -1 3 370.428 3.158 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@@H](C)C2CCOCC2)c1-c1ccc2c(c1)OCCO2 ZINC000534494322 517913795 /nfs/dbraw/zinc/91/37/95/517913795.db2.gz XLOVRZYMDHBCGZ-LBPRGKRZSA-N -1 3 371.437 3.158 20 0 FGADHM CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)N=c1[n-]ncs1 ZINC000517316148 518115266 /nfs/dbraw/zinc/11/52/66/518115266.db2.gz XJUFKVUZUCVXCC-HNNXBMFYSA-N -1 3 359.499 3.133 20 0 FGADHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)c1ccccc1OCc1ccncc1 ZINC000616826371 520164126 /nfs/dbraw/zinc/16/41/26/520164126.db2.gz MEKJQGSWMYNGKX-GOSISDBHSA-N -1 3 364.405 3.488 20 0 FGADHM Cc1ccccc1-c1cc(=NC(=O)c2ccn(C3CCOCC3)n2)[nH][n-]1 ZINC000626359742 522132520 /nfs/dbraw/zinc/13/25/20/522132520.db2.gz RCXHLPSPIPBXRB-UHFFFAOYSA-N -1 3 351.410 3.185 20 0 FGADHM Cc1csc(=O)n1CCC(=O)N=c1cc(-c2cccc(Cl)c2)[n-][nH]1 ZINC000622892493 523534847 /nfs/dbraw/zinc/53/48/47/523534847.db2.gz SKUZMJQXKNOFFV-UHFFFAOYSA-N -1 3 362.842 3.291 20 0 FGADHM CCC(CC)c1n[n-]c(=NC(=O)NC[C@]2(N(C)C)CCSC2)s1 ZINC000481787276 561242320 /nfs/dbraw/zinc/24/23/20/561242320.db2.gz LLDUZBNHQNSELQ-OAHLLOKOSA-N -1 3 357.549 3.001 20 0 FGADHM CCc1c(C(=O)N=c2cc(OC(F)F)n(C)[n-]2)cnn1-c1ccccc1 ZINC000490920200 561440364 /nfs/dbraw/zinc/44/03/64/561440364.db2.gz RITGBIDLQZWIJV-UHFFFAOYSA-N -1 3 361.352 3.022 20 0 FGADHM CCN=c1[n-]c(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)cs1 ZINC000497893238 561510742 /nfs/dbraw/zinc/51/07/42/561510742.db2.gz PVMGUKYIOXFZNA-UKRRQHHQSA-N -1 3 366.437 3.028 20 0 FGADHM C[C@@H](C[N-]S(=O)(=O)c1cc(Br)cc2cccnc21)C1CC1 ZINC000672379285 567879991 /nfs/dbraw/zinc/87/99/91/567879991.db2.gz GLSIQOLZKLXXIE-JTQLQIEISA-N -1 3 369.284 3.322 20 0 FGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)[C@H]2CCc3cc(F)ccc32)c1 ZINC000669205460 568660484 /nfs/dbraw/zinc/66/04/84/568660484.db2.gz ZDCIFRFIPDHSKO-HNNXBMFYSA-N -1 3 362.426 3.174 20 0 FGADHM CCCN(CCc1cccc(F)c1)C(=O)c1sccc1-c1nnn[n-]1 ZINC000736481148 598823242 /nfs/dbraw/zinc/82/32/42/598823242.db2.gz UVHYDMUTNYXCEI-UHFFFAOYSA-N -1 3 359.430 3.162 20 0 FGADHM CCCN(CCc1cccc(F)c1)C(=O)c1sccc1-c1nn[n-]n1 ZINC000736481148 598823243 /nfs/dbraw/zinc/82/32/43/598823243.db2.gz UVHYDMUTNYXCEI-UHFFFAOYSA-N -1 3 359.430 3.162 20 0 FGADHM CCCc1ccc(Cn2c(C)nnc2-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736496291 598825697 /nfs/dbraw/zinc/82/56/97/598825697.db2.gz CWRZAWZHSXQBQV-UHFFFAOYSA-N -1 3 359.437 3.434 20 0 FGADHM CCCc1ccc(Cn2c(C)nnc2-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736496291 598825701 /nfs/dbraw/zinc/82/57/01/598825701.db2.gz CWRZAWZHSXQBQV-UHFFFAOYSA-N -1 3 359.437 3.434 20 0 FGADHM CC(C)CNC(=S)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000735838174 598827137 /nfs/dbraw/zinc/82/71/37/598827137.db2.gz DCIWYWNRUKGFQL-UHFFFAOYSA-N -1 3 372.523 3.215 20 0 FGADHM Fc1cc(F)c2ncc(-c3nnn[n-]3)c(NCC3CCSCC3)c2c1 ZINC000737644801 598829206 /nfs/dbraw/zinc/82/92/06/598829206.db2.gz MIDGGVHIWWDOJR-UHFFFAOYSA-N -1 3 362.409 3.248 20 0 FGADHM Fc1cc(F)c2ncc(-c3nn[n-]n3)c(NCC3CCSCC3)c2c1 ZINC000737644801 598829207 /nfs/dbraw/zinc/82/92/07/598829207.db2.gz MIDGGVHIWWDOJR-UHFFFAOYSA-N -1 3 362.409 3.248 20 0 FGADHM COc1cccc(CNc2ncccc2-c2nnn[n-]2)c1OC1CCCC1 ZINC000737133091 598830420 /nfs/dbraw/zinc/83/04/20/598830420.db2.gz XDWRHTLVBBGPRG-UHFFFAOYSA-N -1 3 366.425 3.204 20 0 FGADHM COc1cccc(CNc2ncccc2-c2nn[n-]n2)c1OC1CCCC1 ZINC000737133091 598830421 /nfs/dbraw/zinc/83/04/21/598830421.db2.gz XDWRHTLVBBGPRG-UHFFFAOYSA-N -1 3 366.425 3.204 20 0 FGADHM O=C(C[C@@H]1CCOC1)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737824486 598831951 /nfs/dbraw/zinc/83/19/51/598831951.db2.gz VQMKNLHPFYHITD-ZDUSSCGKSA-N -1 3 365.393 3.024 20 0 FGADHM O=C(C[C@@H]1CCOC1)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737824486 598831953 /nfs/dbraw/zinc/83/19/53/598831953.db2.gz VQMKNLHPFYHITD-ZDUSSCGKSA-N -1 3 365.393 3.024 20 0 FGADHM C[C@@H]1CC(NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)C[C@@H](C)C1 ZINC000736225849 598838362 /nfs/dbraw/zinc/83/83/62/598838362.db2.gz SKOFDBXBYIIISR-GJZGRUSLSA-N -1 3 371.485 3.357 20 0 FGADHM C[C@@H]1CC(NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)C[C@@H](C)C1 ZINC000736225849 598838363 /nfs/dbraw/zinc/83/83/63/598838363.db2.gz SKOFDBXBYIIISR-GJZGRUSLSA-N -1 3 371.485 3.357 20 0 FGADHM c1ccc(CCCc2noc(CNc3ccc(-c4nn[n-]n4)cc3)n2)cc1 ZINC000738426588 598860320 /nfs/dbraw/zinc/86/03/20/598860320.db2.gz FOBDVKMHIRTKDQ-UHFFFAOYSA-N -1 3 361.409 3.037 20 0 FGADHM CC(C)c1cc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CC[C@@H](C)C3)on1 ZINC000736279005 598862833 /nfs/dbraw/zinc/86/28/33/598862833.db2.gz IXWPSTSXYTVCSQ-SECBINFHSA-N -1 3 372.454 3.417 20 0 FGADHM C[C@@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)c1cccc(C(F)F)c1 ZINC000736039332 598881731 /nfs/dbraw/zinc/88/17/31/598881731.db2.gz IPDXWGRZWIYVTG-NSHDSACASA-N -1 3 374.347 3.429 20 0 FGADHM C[C@@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)c1cccc(C(F)F)c1 ZINC000736039332 598881733 /nfs/dbraw/zinc/88/17/33/598881733.db2.gz IPDXWGRZWIYVTG-NSHDSACASA-N -1 3 374.347 3.429 20 0 FGADHM C[C@H](Cc1ccccc1)C(=O)O[C@@H](C)COc1cccc(-c2nnn[n-]2)c1 ZINC000736038113 598883029 /nfs/dbraw/zinc/88/30/29/598883029.db2.gz SBMFUIQRIGARRO-CABCVRRESA-N -1 3 366.421 3.056 20 0 FGADHM C[C@H](Cc1ccccc1)C(=O)O[C@@H](C)COc1cccc(-c2nn[n-]n2)c1 ZINC000736038113 598883030 /nfs/dbraw/zinc/88/30/30/598883030.db2.gz SBMFUIQRIGARRO-CABCVRRESA-N -1 3 366.421 3.056 20 0 FGADHM c1csc(CNCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)n1 ZINC000738412214 598887851 /nfs/dbraw/zinc/88/78/51/598887851.db2.gz COMYNCSZSKRCSC-UHFFFAOYSA-N -1 3 354.464 3.342 20 0 FGADHM c1csc(CNCc2cccc(-c3ccc(-c4nn[n-]n4)s3)c2)n1 ZINC000738412214 598887853 /nfs/dbraw/zinc/88/78/53/598887853.db2.gz COMYNCSZSKRCSC-UHFFFAOYSA-N -1 3 354.464 3.342 20 0 FGADHM c1cc(-c2cccc(CNCc3cscn3)c2)sc1-c1nnn[n-]1 ZINC000738413396 598888022 /nfs/dbraw/zinc/88/80/22/598888022.db2.gz QAAKJCQIQYUMPQ-UHFFFAOYSA-N -1 3 354.464 3.342 20 0 FGADHM c1cc(-c2cccc(CNCc3cscn3)c2)sc1-c1nn[n-]n1 ZINC000738413396 598888024 /nfs/dbraw/zinc/88/80/24/598888024.db2.gz QAAKJCQIQYUMPQ-UHFFFAOYSA-N -1 3 354.464 3.342 20 0 FGADHM C[C@@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)C=Cc1ccccc1F ZINC000736037841 598888094 /nfs/dbraw/zinc/88/80/94/598888094.db2.gz OZBXXUIDDVIFAJ-LXKVQUBZSA-N -1 3 368.368 3.030 20 0 FGADHM C[C@@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)C=Cc1ccccc1F ZINC000736037841 598888095 /nfs/dbraw/zinc/88/80/95/598888095.db2.gz OZBXXUIDDVIFAJ-LXKVQUBZSA-N -1 3 368.368 3.030 20 0 FGADHM O=C(NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1)NC1CCCC1 ZINC000738110441 598888973 /nfs/dbraw/zinc/88/89/73/598888973.db2.gz BXSBIYJCIHYXFV-UHFFFAOYSA-N -1 3 368.466 3.337 20 0 FGADHM CSc1ccc(C(=O)O[C@@H](C)COc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737193407 598889516 /nfs/dbraw/zinc/88/95/16/598889516.db2.gz RAJCVVWSVJWYDJ-LBPRGKRZSA-N -1 3 370.434 3.213 20 0 FGADHM CSc1ccc(C(=O)O[C@@H](C)COc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737193407 598889518 /nfs/dbraw/zinc/88/95/18/598889518.db2.gz RAJCVVWSVJWYDJ-LBPRGKRZSA-N -1 3 370.434 3.213 20 0 FGADHM O=C(Cc1c[nH]c2ccc(Cl)cc12)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000737955362 598902746 /nfs/dbraw/zinc/90/27/46/598902746.db2.gz ZKUNDBNOHDNCRM-UHFFFAOYSA-N -1 3 367.796 3.287 20 0 FGADHM O=C(Cc1c[nH]c2ccc(Cl)cc12)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000737955362 598902748 /nfs/dbraw/zinc/90/27/48/598902748.db2.gz ZKUNDBNOHDNCRM-UHFFFAOYSA-N -1 3 367.796 3.287 20 0 FGADHM CC(C)(C)C(=O)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCCC2 ZINC000735587552 598904264 /nfs/dbraw/zinc/90/42/64/598904264.db2.gz VHJWBIFEUVQKRZ-UHFFFAOYSA-N -1 3 361.471 3.141 20 0 FGADHM CC(C)(C)C(=O)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCCC2 ZINC000735587552 598904265 /nfs/dbraw/zinc/90/42/65/598904265.db2.gz VHJWBIFEUVQKRZ-UHFFFAOYSA-N -1 3 361.471 3.141 20 0 FGADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)Nc1cc(Cl)ccn1 ZINC000737832275 598909378 /nfs/dbraw/zinc/90/93/78/598909378.db2.gz IESGTWFYPFQHGU-UHFFFAOYSA-N -1 3 372.816 3.103 20 0 FGADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)Nc1cc(Cl)ccn1 ZINC000737832275 598909380 /nfs/dbraw/zinc/90/93/80/598909380.db2.gz IESGTWFYPFQHGU-UHFFFAOYSA-N -1 3 372.816 3.103 20 0 FGADHM Clc1cc(-c2nnn[n-]2)cnc1N(Cc1ccco1)Cc1ccco1 ZINC000737561760 598936146 /nfs/dbraw/zinc/93/61/46/598936146.db2.gz HZWGGWVCHNKPMO-UHFFFAOYSA-N -1 3 356.773 3.308 20 0 FGADHM Clc1cc(-c2nn[n-]n2)cnc1N(Cc1ccco1)Cc1ccco1 ZINC000737561760 598936150 /nfs/dbraw/zinc/93/61/50/598936150.db2.gz HZWGGWVCHNKPMO-UHFFFAOYSA-N -1 3 356.773 3.308 20 0 FGADHM O[C@@H](CNc1ccc(-c2nn[n-]n2)cc1)c1c(Cl)cccc1Cl ZINC000738382550 598976754 /nfs/dbraw/zinc/97/67/54/598976754.db2.gz LMVXDVWBILENAD-ZDUSSCGKSA-N -1 3 350.209 3.319 20 0 FGADHM Cc1ccc(O[C@@H](C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000737365511 598979753 /nfs/dbraw/zinc/97/97/53/598979753.db2.gz RXZZELXCFWGRMJ-NSHDSACASA-N -1 3 357.801 3.235 20 0 FGADHM Cc1ccc(O[C@@H](C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000737365511 598979755 /nfs/dbraw/zinc/97/97/55/598979755.db2.gz RXZZELXCFWGRMJ-NSHDSACASA-N -1 3 357.801 3.235 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OCCOc1ccc(OC(C)C)cc1 ZINC000737033554 598980096 /nfs/dbraw/zinc/98/00/96/598980096.db2.gz WXBYQRIWESQIAW-UHFFFAOYSA-N -1 3 370.409 3.120 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OCCOc1ccc(OC(C)C)cc1 ZINC000737033554 598980098 /nfs/dbraw/zinc/98/00/98/598980098.db2.gz WXBYQRIWESQIAW-UHFFFAOYSA-N -1 3 370.409 3.120 20 0 FGADHM Cc1c(Cl)cccc1NC(=O)CNc1cccc(-c2nnn[n-]2)c1C ZINC000822034369 607256382 /nfs/dbraw/zinc/25/63/82/607256382.db2.gz AEYVJYGPRIYFMB-UHFFFAOYSA-N -1 3 356.817 3.188 20 0 FGADHM Cc1c(Cl)cccc1NC(=O)CNc1cccc(-c2nn[n-]n2)c1C ZINC000822034369 607256383 /nfs/dbraw/zinc/25/63/83/607256383.db2.gz AEYVJYGPRIYFMB-UHFFFAOYSA-N -1 3 356.817 3.188 20 0 FGADHM Cc1c(NCc2nnc(-c3cccc(Cl)c3)o2)cccc1-c1nnn[n-]1 ZINC000822121787 607256547 /nfs/dbraw/zinc/25/65/47/607256547.db2.gz GTKCCVXRFWOWSP-UHFFFAOYSA-N -1 3 367.800 3.491 20 0 FGADHM Cc1c(NCc2nnc(-c3cccc(Cl)c3)o2)cccc1-c1nn[n-]n1 ZINC000822121787 607256548 /nfs/dbraw/zinc/25/65/48/607256548.db2.gz GTKCCVXRFWOWSP-UHFFFAOYSA-N -1 3 367.800 3.491 20 0 FGADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NC[C@H](C)C(C)(C)C ZINC000735736298 599007116 /nfs/dbraw/zinc/00/71/16/599007116.db2.gz RQRYOYPOFXFSSU-BBRMVZONSA-N -1 3 359.474 3.069 20 0 FGADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NC[C@H](C)C(C)(C)C ZINC000735736298 599007117 /nfs/dbraw/zinc/00/71/17/599007117.db2.gz RQRYOYPOFXFSSU-BBRMVZONSA-N -1 3 359.474 3.069 20 0 FGADHM Cc1cccc([C@H](C)NC(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)c1C ZINC000737391287 599018964 /nfs/dbraw/zinc/01/89/64/599018964.db2.gz ZKOJSPIFFQVIGI-GJZGRUSLSA-N -1 3 365.437 3.128 20 0 FGADHM CC(C)C[C@H]1CCCCCN1C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000735795881 599022000 /nfs/dbraw/zinc/02/20/00/599022000.db2.gz PAGDAIZAKRAFFZ-QGZVFWFLSA-N -1 3 356.474 3.367 20 0 FGADHM CC(C)C[C@H]1CCCCCN1C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000735795881 599022003 /nfs/dbraw/zinc/02/20/03/599022003.db2.gz PAGDAIZAKRAFFZ-QGZVFWFLSA-N -1 3 356.474 3.367 20 0 FGADHM C[C@H](OC(=O)c1sccc1-c1nnn[n-]1)c1cnc2ccccc2c1 ZINC000736164472 599026839 /nfs/dbraw/zinc/02/68/39/599026839.db2.gz OTZGKRJLLIBZHD-JTQLQIEISA-N -1 3 351.391 3.394 20 0 FGADHM CCO[C@@H]1C[C@H](OC(=O)C=Cc2ccccc2-c2nnn[n-]2)C12CCCC2 ZINC000736612293 599028680 /nfs/dbraw/zinc/02/86/80/599028680.db2.gz NFARGIGEZZSOFT-WMXNSBIJSA-N -1 3 368.437 3.161 20 0 FGADHM CCO[C@@H]1C[C@H](OC(=O)C=Cc2ccccc2-c2nn[n-]n2)C12CCCC2 ZINC000736612293 599028681 /nfs/dbraw/zinc/02/86/81/599028681.db2.gz NFARGIGEZZSOFT-WMXNSBIJSA-N -1 3 368.437 3.161 20 0 FGADHM Cc1c(NCc2nnc(-c3ccccc3Cl)o2)cccc1-c1nnn[n-]1 ZINC000822121884 607257732 /nfs/dbraw/zinc/25/77/32/607257732.db2.gz HYLIGBAHTBAJDI-UHFFFAOYSA-N -1 3 367.800 3.491 20 0 FGADHM Cc1c(NCc2nnc(-c3ccccc3Cl)o2)cccc1-c1nn[n-]n1 ZINC000822121884 607257733 /nfs/dbraw/zinc/25/77/33/607257733.db2.gz HYLIGBAHTBAJDI-UHFFFAOYSA-N -1 3 367.800 3.491 20 0 FGADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(NCCc2c[nH]c3ccccc23)n1 ZINC000737636435 599037306 /nfs/dbraw/zinc/03/73/06/599037306.db2.gz SANPBAXLACDWLA-UHFFFAOYSA-N -1 3 373.342 3.416 20 0 FGADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(NCCc2c[nH]c3ccccc23)n1 ZINC000737636435 599037309 /nfs/dbraw/zinc/03/73/09/599037309.db2.gz SANPBAXLACDWLA-UHFFFAOYSA-N -1 3 373.342 3.416 20 0 FGADHM Cc1ccc(Nc2ccc(-c3nnn[n-]3)cn2)cc1OCC1CCOCC1 ZINC000737362484 599045337 /nfs/dbraw/zinc/04/53/37/599045337.db2.gz QQMJWGLYBBSVKR-UHFFFAOYSA-N -1 3 366.425 3.119 20 0 FGADHM Cc1ccc(Nc2ccc(-c3nn[n-]n3)cn2)cc1OCC1CCOCC1 ZINC000737362484 599045338 /nfs/dbraw/zinc/04/53/38/599045338.db2.gz QQMJWGLYBBSVKR-UHFFFAOYSA-N -1 3 366.425 3.119 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1N1CC[C@H](COCc2ccccc2)C1 ZINC000822743958 599063513 /nfs/dbraw/zinc/06/35/13/599063513.db2.gz IXXNBHHHQRDURU-HNNXBMFYSA-N -1 3 353.401 3.049 20 0 FGADHM CC(C)[C@H]1CN(c2ccc(-c3nn[n-]n3)cc2C(F)(F)F)CCS1 ZINC000820043947 599096450 /nfs/dbraw/zinc/09/64/50/599096450.db2.gz DFJYPBFFCRPEBC-CYBMUJFWSA-N -1 3 357.405 3.463 20 0 FGADHM C[C@H]1CCC[C@@H](CCNC(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736253691 599105827 /nfs/dbraw/zinc/10/58/27/599105827.db2.gz VSKPZHQTTHNBTF-GJZGRUSLSA-N -1 3 356.474 3.225 20 0 FGADHM C[C@H]1CCC[C@@H](CCNC(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736253691 599105829 /nfs/dbraw/zinc/10/58/29/599105829.db2.gz VSKPZHQTTHNBTF-GJZGRUSLSA-N -1 3 356.474 3.225 20 0 FGADHM CCOc1ccc(NC(=O)[C@H](C)Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000736647997 599110158 /nfs/dbraw/zinc/11/01/58/599110158.db2.gz WEYGQDXKUPCQLO-LBPRGKRZSA-N -1 3 369.450 3.385 20 0 FGADHM CCOc1ccc(NC(=O)[C@H](C)Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000736647997 599110159 /nfs/dbraw/zinc/11/01/59/599110159.db2.gz WEYGQDXKUPCQLO-LBPRGKRZSA-N -1 3 369.450 3.385 20 0 FGADHM COC(=O)[C@H](Sc1ccc(C)cc1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736902560 599111830 /nfs/dbraw/zinc/11/18/30/599111830.db2.gz VUWMQMUCYVKSHD-MRXNPFEDSA-N -1 3 354.435 3.490 20 0 FGADHM COC(=O)[C@H](Sc1ccc(C)cc1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736902560 599111833 /nfs/dbraw/zinc/11/18/33/599111833.db2.gz VUWMQMUCYVKSHD-MRXNPFEDSA-N -1 3 354.435 3.490 20 0 FGADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2NCCc1c[nH]c2ccccc12 ZINC000737408676 599121904 /nfs/dbraw/zinc/12/19/04/599121904.db2.gz JSDQULIKEGASCT-UHFFFAOYSA-N -1 3 369.432 3.281 20 0 FGADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2NCCc1c[nH]c2ccccc12 ZINC000737408676 599121907 /nfs/dbraw/zinc/12/19/07/599121907.db2.gz JSDQULIKEGASCT-UHFFFAOYSA-N -1 3 369.432 3.281 20 0 FGADHM CC(C)Cc1ccc(CS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000820108217 599120866 /nfs/dbraw/zinc/12/08/66/599120866.db2.gz GWITVNQCFKFEMQ-UHFFFAOYSA-N -1 3 374.441 3.178 20 0 FGADHM CC(C)Cc1ccc(CS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000820108217 599120869 /nfs/dbraw/zinc/12/08/69/599120869.db2.gz GWITVNQCFKFEMQ-UHFFFAOYSA-N -1 3 374.441 3.178 20 0 FGADHM C[C@H](NC(=O)[C@@]1(C)CCc2ccccc2C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820321445 599136206 /nfs/dbraw/zinc/13/62/06/599136206.db2.gz GJQIVZSQAUEDIK-QKKBWIMNSA-N -1 3 361.449 3.239 20 0 FGADHM C[C@H](NC(=O)[C@@]1(C)CCc2ccccc2C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820321445 599136208 /nfs/dbraw/zinc/13/62/08/599136208.db2.gz GJQIVZSQAUEDIK-QKKBWIMNSA-N -1 3 361.449 3.239 20 0 FGADHM C[C@H](NC(=O)[C@H]1SCCc2sccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000820322061 599136722 /nfs/dbraw/zinc/13/67/22/599136722.db2.gz QGYBLPPSICRNKI-BONVTDFDSA-N -1 3 371.491 3.136 20 0 FGADHM C[C@H](NC(=O)[C@H]1SCCc2sccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000820322061 599136725 /nfs/dbraw/zinc/13/67/25/599136725.db2.gz QGYBLPPSICRNKI-BONVTDFDSA-N -1 3 371.491 3.136 20 0 FGADHM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820939305 599139548 /nfs/dbraw/zinc/13/95/48/599139548.db2.gz SXBLYPMYJIDHMO-OLMNPRSZSA-N -1 3 371.485 3.199 20 0 FGADHM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820939305 599139550 /nfs/dbraw/zinc/13/95/50/599139550.db2.gz SXBLYPMYJIDHMO-OLMNPRSZSA-N -1 3 371.485 3.199 20 0 FGADHM CN1CCCN(Cc2cccc(-c3nnn[n-]3)c2)c2cc(Cl)ccc21 ZINC000736855844 599145717 /nfs/dbraw/zinc/14/57/17/599145717.db2.gz FRGLNTSGWFDHKO-UHFFFAOYSA-N -1 3 354.845 3.367 20 0 FGADHM CN1CCCN(Cc2cccc(-c3nn[n-]n3)c2)c2cc(Cl)ccc21 ZINC000736855844 599145718 /nfs/dbraw/zinc/14/57/18/599145718.db2.gz FRGLNTSGWFDHKO-UHFFFAOYSA-N -1 3 354.845 3.367 20 0 FGADHM O=C(C[C@@H]1CCc2ccccc21)OCc1ccc(-c2nnn[n-]2)cc1F ZINC000737821899 599146450 /nfs/dbraw/zinc/14/64/50/599146450.db2.gz WWQLLOZJOMVYDT-ZDUSSCGKSA-N -1 3 352.369 3.169 20 0 FGADHM O=C(C[C@@H]1CCc2ccccc21)OCc1ccc(-c2nn[n-]n2)cc1F ZINC000737821899 599146454 /nfs/dbraw/zinc/14/64/54/599146454.db2.gz WWQLLOZJOMVYDT-ZDUSSCGKSA-N -1 3 352.369 3.169 20 0 FGADHM Cc1ccc([C@H]2CSCCN2C(=O)c2sccc2-c2nnn[n-]2)cc1 ZINC000737332076 599167092 /nfs/dbraw/zinc/16/70/92/599167092.db2.gz NXGPHJFXSBZEMZ-CQSZACIVSA-N -1 3 371.491 3.167 20 0 FGADHM Cc1ccc([C@H]2CSCCN2C(=O)c2sccc2-c2nn[n-]n2)cc1 ZINC000737332076 599167094 /nfs/dbraw/zinc/16/70/94/599167094.db2.gz NXGPHJFXSBZEMZ-CQSZACIVSA-N -1 3 371.491 3.167 20 0 FGADHM Cn1cc(-c2nc(CSc3ccc(-c4nnn[n-]4)cc3F)cs2)cn1 ZINC000737593863 599169358 /nfs/dbraw/zinc/16/93/58/599169358.db2.gz UDAZLQWJBJCGDM-UHFFFAOYSA-N -1 3 373.442 3.155 20 0 FGADHM Cn1cc(-c2nc(CSc3ccc(-c4nn[n-]n4)cc3F)cs2)cn1 ZINC000737593863 599169361 /nfs/dbraw/zinc/16/93/61/599169361.db2.gz UDAZLQWJBJCGDM-UHFFFAOYSA-N -1 3 373.442 3.155 20 0 FGADHM CCc1ccccc1NC(=O)CSc1ccc(-c2nnn[n-]2)cc1F ZINC000736701962 599169476 /nfs/dbraw/zinc/16/94/76/599169476.db2.gz LKMJKHNNJXXECT-UHFFFAOYSA-N -1 3 357.414 3.299 20 0 FGADHM CCc1ccccc1NC(=O)CSc1ccc(-c2nn[n-]n2)cc1F ZINC000736701962 599169478 /nfs/dbraw/zinc/16/94/78/599169478.db2.gz LKMJKHNNJXXECT-UHFFFAOYSA-N -1 3 357.414 3.299 20 0 FGADHM CC(C)[C@H](Cc1ccccc1)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000820021364 599172768 /nfs/dbraw/zinc/17/27/68/599172768.db2.gz SSRGXKLHBDGQAO-KRWDZBQOSA-N -1 3 367.428 3.137 20 0 FGADHM CC(C)[C@H](Cc1ccccc1)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000820021364 599172770 /nfs/dbraw/zinc/17/27/70/599172770.db2.gz SSRGXKLHBDGQAO-KRWDZBQOSA-N -1 3 367.428 3.137 20 0 FGADHM COc1cccc(F)c1[C@@H](C)NC(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000737137769 599175670 /nfs/dbraw/zinc/17/56/70/599175670.db2.gz DSMRRGHDPUORHM-SNVBAGLBSA-N -1 3 372.429 3.062 20 0 FGADHM COc1cccc(F)c1[C@@H](C)NC(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000737137769 599175674 /nfs/dbraw/zinc/17/56/74/599175674.db2.gz DSMRRGHDPUORHM-SNVBAGLBSA-N -1 3 372.429 3.062 20 0 FGADHM Cc1ccc(CC[C@H](C)NC(=S)Nc2ccccc2-c2nnn[n-]2)o1 ZINC000737338805 599176136 /nfs/dbraw/zinc/17/61/36/599176136.db2.gz XBURGDXQLPIWRQ-NSHDSACASA-N -1 3 356.455 3.076 20 0 FGADHM Cc1ccc(CC[C@H](C)NC(=S)Nc2ccccc2-c2nn[n-]n2)o1 ZINC000737338805 599176138 /nfs/dbraw/zinc/17/61/38/599176138.db2.gz XBURGDXQLPIWRQ-NSHDSACASA-N -1 3 356.455 3.076 20 0 FGADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)c1cc(Cl)sc1Cl ZINC000823238583 599177212 /nfs/dbraw/zinc/17/72/12/599177212.db2.gz PYYQEYGHIFMPIV-UHFFFAOYSA-N -1 3 372.212 3.304 20 0 FGADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)c1cc(Cl)sc1Cl ZINC000823238583 599177215 /nfs/dbraw/zinc/17/72/15/599177215.db2.gz PYYQEYGHIFMPIV-UHFFFAOYSA-N -1 3 372.212 3.304 20 0 FGADHM C[C@@H](C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C)c1cccc(F)c1 ZINC000735552276 599183680 /nfs/dbraw/zinc/18/36/80/599183680.db2.gz WYMGYCIMJRXXSE-LLVKDONJSA-N -1 3 356.405 3.305 20 0 FGADHM C[C@@H](C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C)c1cccc(F)c1 ZINC000735552276 599183683 /nfs/dbraw/zinc/18/36/83/599183683.db2.gz WYMGYCIMJRXXSE-LLVKDONJSA-N -1 3 356.405 3.305 20 0 FGADHM O=C([C@@H]1Cc2ccccc21)N(Cc1ccco1)c1ccccc1-c1nnn[n-]1 ZINC000737790539 599185411 /nfs/dbraw/zinc/18/54/11/599185411.db2.gz FRHWOCQSPUFJRX-GOSISDBHSA-N -1 3 371.400 3.333 20 0 FGADHM O=C([C@@H]1Cc2ccccc21)N(Cc1ccco1)c1ccccc1-c1nn[n-]n1 ZINC000737790539 599185412 /nfs/dbraw/zinc/18/54/12/599185412.db2.gz FRHWOCQSPUFJRX-GOSISDBHSA-N -1 3 371.400 3.333 20 0 FGADHM C[C@@H](NC(=O)N1CCCC[C@@H]1c1ccco1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736110442 599190305 /nfs/dbraw/zinc/19/03/05/599190305.db2.gz BMDKZDVXMBBXHD-CZUORRHYSA-N -1 3 366.425 3.458 20 0 FGADHM C[C@@H](NC(=O)N1CCCC[C@@H]1c1ccco1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736110442 599190308 /nfs/dbraw/zinc/19/03/08/599190308.db2.gz BMDKZDVXMBBXHD-CZUORRHYSA-N -1 3 366.425 3.458 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N1CCC(C2CCCC2)CC1 ZINC000822927828 599193290 /nfs/dbraw/zinc/19/32/90/599193290.db2.gz BHHWLWNWUAMSPV-MDZDMXLPSA-N -1 3 351.454 3.309 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N1CCC(C2CCCC2)CC1 ZINC000822927828 599193293 /nfs/dbraw/zinc/19/32/93/599193293.db2.gz BHHWLWNWUAMSPV-MDZDMXLPSA-N -1 3 351.454 3.309 20 0 FGADHM Clc1ccc(OCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)cc1 ZINC000737575509 599193533 /nfs/dbraw/zinc/19/35/33/599193533.db2.gz XCTXRBOWVAXCMH-UHFFFAOYSA-N -1 3 354.757 3.149 20 0 FGADHM Clc1ccc(OCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)cc1 ZINC000737575509 599193536 /nfs/dbraw/zinc/19/35/36/599193536.db2.gz XCTXRBOWVAXCMH-UHFFFAOYSA-N -1 3 354.757 3.149 20 0 FGADHM O=C(Nc1cccc(CC(F)(F)F)c1)c1sccc1-c1nnn[n-]1 ZINC000823363605 599198584 /nfs/dbraw/zinc/19/85/84/599198584.db2.gz IPYIDOPRWQSRIY-UHFFFAOYSA-N -1 3 353.329 3.285 20 0 FGADHM O=C(Nc1cccc(CC(F)(F)F)c1)c1sccc1-c1nn[n-]n1 ZINC000823363605 599198586 /nfs/dbraw/zinc/19/85/86/599198586.db2.gz IPYIDOPRWQSRIY-UHFFFAOYSA-N -1 3 353.329 3.285 20 0 FGADHM CC(C)Oc1cccc([C@@H](O)CNc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000735912947 599205612 /nfs/dbraw/zinc/20/56/12/599205612.db2.gz KHNFIZYTGSYIDL-KRWDZBQOSA-N -1 3 373.844 3.453 20 0 FGADHM CC(C)Oc1cccc([C@@H](O)CNc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000735912947 599205615 /nfs/dbraw/zinc/20/56/15/599205615.db2.gz KHNFIZYTGSYIDL-KRWDZBQOSA-N -1 3 373.844 3.453 20 0 FGADHM Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)Cc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000822234013 599221510 /nfs/dbraw/zinc/22/15/10/599221510.db2.gz ZTPSBQGTZLUNRB-DYVFJYSZSA-N -1 3 365.437 3.310 20 0 FGADHM Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)Cc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822234013 599221513 /nfs/dbraw/zinc/22/15/13/599221513.db2.gz ZTPSBQGTZLUNRB-DYVFJYSZSA-N -1 3 365.437 3.310 20 0 FGADHM Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)Cc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000822234014 599221956 /nfs/dbraw/zinc/22/19/56/599221956.db2.gz ZTPSBQGTZLUNRB-GUYCJALGSA-N -1 3 365.437 3.310 20 0 FGADHM Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)Cc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822234014 599221959 /nfs/dbraw/zinc/22/19/59/599221959.db2.gz ZTPSBQGTZLUNRB-GUYCJALGSA-N -1 3 365.437 3.310 20 0 FGADHM CCC[C@@]1(C)CCCN(C(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)C1 ZINC000821028679 599223054 /nfs/dbraw/zinc/22/30/54/599223054.db2.gz XZPPESKIHZNPLJ-LIRRHRJNSA-N -1 3 357.458 3.063 20 0 FGADHM CCC[C@@]1(C)CCCN(C(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)C1 ZINC000821028679 599223057 /nfs/dbraw/zinc/22/30/57/599223057.db2.gz XZPPESKIHZNPLJ-LIRRHRJNSA-N -1 3 357.458 3.063 20 0 FGADHM CC[C@@H]1CCCN(C(=O)CSCc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736400467 599224452 /nfs/dbraw/zinc/22/44/52/599224452.db2.gz ONYXDWALLIISMA-CQSZACIVSA-N -1 3 359.499 3.139 20 0 FGADHM CC[C@@H]1CCCN(C(=O)CSCc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736400467 599224454 /nfs/dbraw/zinc/22/44/54/599224454.db2.gz ONYXDWALLIISMA-CQSZACIVSA-N -1 3 359.499 3.139 20 0 FGADHM CC[C@H]1CCc2ccccc2N1C(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000820989636 607263622 /nfs/dbraw/zinc/26/36/22/607263622.db2.gz XWGCMMSHHYHGAR-ZDUSSCGKSA-N -1 3 368.828 3.287 20 0 FGADHM CC[C@H]1CCc2ccccc2N1C(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000820989636 607263623 /nfs/dbraw/zinc/26/36/23/607263623.db2.gz XWGCMMSHHYHGAR-ZDUSSCGKSA-N -1 3 368.828 3.287 20 0 FGADHM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)N[C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC000737932843 599227337 /nfs/dbraw/zinc/22/73/37/599227337.db2.gz RBXNEXGIEVRDOZ-HYVNUMGLSA-N -1 3 371.510 3.185 20 0 FGADHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)N[C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC000737932843 599227340 /nfs/dbraw/zinc/22/73/40/599227340.db2.gz RBXNEXGIEVRDOZ-HYVNUMGLSA-N -1 3 371.510 3.185 20 0 FGADHM CC1CCC(N(C[C@@H]2CCCO2)C(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736241439 599228505 /nfs/dbraw/zinc/22/85/05/599228505.db2.gz NKCCKVQFKCTTQV-UYJHFMRCSA-N -1 3 369.469 3.067 20 0 FGADHM CC1CCC(N(C[C@@H]2CCCO2)C(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736241439 599228508 /nfs/dbraw/zinc/22/85/08/599228508.db2.gz NKCCKVQFKCTTQV-UYJHFMRCSA-N -1 3 369.469 3.067 20 0 FGADHM Cc1c(NC(=O)[C@H]2C[C@@H]2c2c(F)cccc2F)cccc1-c1nnn[n-]1 ZINC000822061292 607266545 /nfs/dbraw/zinc/26/65/45/607266545.db2.gz LTLXUEJDKMHIED-RYUDHWBXSA-N -1 3 355.348 3.196 20 0 FGADHM Cc1c(NC(=O)[C@H]2C[C@@H]2c2c(F)cccc2F)cccc1-c1nn[n-]n1 ZINC000822061292 607266546 /nfs/dbraw/zinc/26/65/46/607266546.db2.gz LTLXUEJDKMHIED-RYUDHWBXSA-N -1 3 355.348 3.196 20 0 FGADHM C[C@@H](CNC(=O)Nc1cccc(-c2nnn[n-]2)c1)Oc1ccccc1Cl ZINC000820269306 599244862 /nfs/dbraw/zinc/24/48/62/599244862.db2.gz JHXULPQMMWNUCT-NSHDSACASA-N -1 3 372.816 3.109 20 0 FGADHM C[C@@H](CNC(=O)Nc1cccc(-c2nn[n-]n2)c1)Oc1ccccc1Cl ZINC000820269306 599244864 /nfs/dbraw/zinc/24/48/64/599244864.db2.gz JHXULPQMMWNUCT-NSHDSACASA-N -1 3 372.816 3.109 20 0 FGADHM C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736232449 599248477 /nfs/dbraw/zinc/24/84/77/599248477.db2.gz DJNZATXZILVFEB-SJCJKPOMSA-N -1 3 351.385 3.229 20 0 FGADHM C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736232449 599248478 /nfs/dbraw/zinc/24/84/78/599248478.db2.gz DJNZATXZILVFEB-SJCJKPOMSA-N -1 3 351.385 3.229 20 0 FGADHM C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)c2sccc2-c2nnn[n-]2)C1 ZINC000736235919 599249382 /nfs/dbraw/zinc/24/93/82/599249382.db2.gz PWNVNZWQQYECDY-IINYFYTJSA-N -1 3 357.414 3.291 20 0 FGADHM C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)c2sccc2-c2nn[n-]n2)C1 ZINC000736235919 599249383 /nfs/dbraw/zinc/24/93/83/599249383.db2.gz PWNVNZWQQYECDY-IINYFYTJSA-N -1 3 357.414 3.291 20 0 FGADHM COc1ccc(NC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)nc1 ZINC000737105416 599251694 /nfs/dbraw/zinc/25/16/94/599251694.db2.gz ZQAMXKCOIKYPRX-UHFFFAOYSA-N -1 3 372.388 3.190 20 0 FGADHM COc1ccc(NC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)nc1 ZINC000737105416 599251697 /nfs/dbraw/zinc/25/16/97/599251697.db2.gz ZQAMXKCOIKYPRX-UHFFFAOYSA-N -1 3 372.388 3.190 20 0 FGADHM COc1c(C)ccc(NC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1C ZINC000821698518 599252116 /nfs/dbraw/zinc/25/21/16/599252116.db2.gz NHPBMGKRIDMFGA-CYBMUJFWSA-N -1 3 366.425 3.375 20 0 FGADHM COc1c(C)ccc(NC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1C ZINC000821698518 599252117 /nfs/dbraw/zinc/25/21/17/599252117.db2.gz NHPBMGKRIDMFGA-CYBMUJFWSA-N -1 3 366.425 3.375 20 0 FGADHM O=C([O-])c1ccc(CNC(=O)NC[C@H](c2cccs2)N2CCCC2)cc1 ZINC000263130023 597284488 /nfs/dbraw/zinc/28/44/88/597284488.db2.gz YVYWMUAIFYYTNZ-MRXNPFEDSA-N -1 3 373.478 3.083 20 0 FGADHM CC(=O)Nc1cc(NC(=O)Nc2cccc(-c3nnn[n-]3)c2C)ccc1C ZINC000819811338 607282755 /nfs/dbraw/zinc/28/27/55/607282755.db2.gz ZLBHRSYMMPOJSB-UHFFFAOYSA-N -1 3 365.397 3.086 20 0 FGADHM CC(=O)Nc1cc(NC(=O)Nc2cccc(-c3nn[n-]n3)c2C)ccc1C ZINC000819811338 607282756 /nfs/dbraw/zinc/28/27/56/607282756.db2.gz ZLBHRSYMMPOJSB-UHFFFAOYSA-N -1 3 365.397 3.086 20 0 FGADHM CC[C@@H](Cc1ccccc1)NC(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000820916163 607282816 /nfs/dbraw/zinc/28/28/16/607282816.db2.gz ZWQZYUXENOPFQS-HNNXBMFYSA-N -1 3 350.426 3.318 20 0 FGADHM CC[C@@H](Cc1ccccc1)NC(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000820916163 607282817 /nfs/dbraw/zinc/28/28/17/607282817.db2.gz ZWQZYUXENOPFQS-HNNXBMFYSA-N -1 3 350.426 3.318 20 0 FGADHM O=C([O-])Cc1ccccc1NC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000819617987 597329185 /nfs/dbraw/zinc/32/91/85/597329185.db2.gz JCRWQDMWAWLSEV-INIZCTEOSA-N -1 3 373.478 3.334 20 0 FGADHM C[C@@H](CNC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)Cc1cccs1 ZINC000820259900 599256529 /nfs/dbraw/zinc/25/65/29/599256529.db2.gz CHABXEGXCDUQIB-OLZOCXBDSA-N -1 3 370.482 3.167 20 0 FGADHM C[C@@H](CNC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)Cc1cccs1 ZINC000820259900 599256531 /nfs/dbraw/zinc/25/65/31/599256531.db2.gz CHABXEGXCDUQIB-OLZOCXBDSA-N -1 3 370.482 3.167 20 0 FGADHM C[C@H](CNC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)Cc1cccs1 ZINC000820259902 599256786 /nfs/dbraw/zinc/25/67/86/599256786.db2.gz CHABXEGXCDUQIB-STQMWFEESA-N -1 3 370.482 3.167 20 0 FGADHM C[C@H](CNC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)Cc1cccs1 ZINC000820259902 599256787 /nfs/dbraw/zinc/25/67/87/599256787.db2.gz CHABXEGXCDUQIB-STQMWFEESA-N -1 3 370.482 3.167 20 0 FGADHM CC1(C)C[C@@H](NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c2ccccc21 ZINC000820589477 607293862 /nfs/dbraw/zinc/29/38/62/607293862.db2.gz GNADTFHPUBMONX-OAHLLOKOSA-N -1 3 369.375 3.297 20 0 FGADHM CC1(C)C[C@@H](NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c2ccccc21 ZINC000820589477 607293863 /nfs/dbraw/zinc/29/38/63/607293863.db2.gz GNADTFHPUBMONX-OAHLLOKOSA-N -1 3 369.375 3.297 20 0 FGADHM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000820939263 607295600 /nfs/dbraw/zinc/29/56/00/607295600.db2.gz RZVSTXLKJYXQRD-QEORTHHSSA-N -1 3 357.458 3.488 20 0 FGADHM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000820939263 607295601 /nfs/dbraw/zinc/29/56/01/607295601.db2.gz RZVSTXLKJYXQRD-QEORTHHSSA-N -1 3 357.458 3.488 20 0 FGADHM CCc1ccc([C@H]2CCCN2C(=O)C=Cc2ccccc2-c2nnn[n-]2)o1 ZINC000736689504 599259753 /nfs/dbraw/zinc/25/97/53/599259753.db2.gz YGBTVMCYRBFKPP-XLNAKTSKSA-N -1 3 363.421 3.399 20 0 FGADHM CCc1ccc([C@H]2CCCN2C(=O)C=Cc2ccccc2-c2nn[n-]n2)o1 ZINC000736689504 599259755 /nfs/dbraw/zinc/25/97/55/599259755.db2.gz YGBTVMCYRBFKPP-XLNAKTSKSA-N -1 3 363.421 3.399 20 0 FGADHM Cc1c(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)cccc1-c1nnn[n-]1 ZINC000822060831 607296491 /nfs/dbraw/zinc/29/64/91/607296491.db2.gz JLEKIXXERFPTPN-LLVKDONJSA-N -1 3 357.801 3.235 20 0 FGADHM Cc1c(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)cccc1-c1nn[n-]n1 ZINC000822060831 607296492 /nfs/dbraw/zinc/29/64/92/607296492.db2.gz JLEKIXXERFPTPN-LLVKDONJSA-N -1 3 357.801 3.235 20 0 FGADHM C[C@@H](OCCCNc1c(-c2nnn[n-]2)cnc2ccccc21)c1ccccc1 ZINC000736163511 599261001 /nfs/dbraw/zinc/26/10/01/599261001.db2.gz IPOLEQQUKPHFEI-OAHLLOKOSA-N -1 3 374.448 3.417 20 0 FGADHM C[C@@H](OCCCNc1c(-c2nn[n-]n2)cnc2ccccc21)c1ccccc1 ZINC000736163511 599261003 /nfs/dbraw/zinc/26/10/03/599261003.db2.gz IPOLEQQUKPHFEI-OAHLLOKOSA-N -1 3 374.448 3.417 20 0 FGADHM O=C1CCCCN1c1cccc(NCc2ccc(-c3nnn[n-]3)s2)c1 ZINC000823530516 607310250 /nfs/dbraw/zinc/31/02/50/607310250.db2.gz NAMZFIWRBNCCIL-UHFFFAOYSA-N -1 3 354.439 3.057 20 0 FGADHM CCOc1cc2c(cc1NCc1cc(-c3nnn[n-]3)cs1)O[C@H](C)C2 ZINC000821401547 607310696 /nfs/dbraw/zinc/31/06/96/607310696.db2.gz WQEUXSLDAPCGJQ-SNVBAGLBSA-N -1 3 357.439 3.262 20 0 FGADHM CCOc1cc2c(cc1NCc1cc(-c3nn[n-]n3)cs1)O[C@H](C)C2 ZINC000821401547 607310697 /nfs/dbraw/zinc/31/06/97/607310697.db2.gz WQEUXSLDAPCGJQ-SNVBAGLBSA-N -1 3 357.439 3.262 20 0 FGADHM COCc1c(Br)cccc1NCc1ccc(-c2nnn[n-]2)cc1 ZINC000821695069 607314347 /nfs/dbraw/zinc/31/43/47/607314347.db2.gz IBWPHLCZRXPYJJ-UHFFFAOYSA-N -1 3 374.242 3.388 20 0 FGADHM COCc1c(Br)cccc1NCc1ccc(-c2nn[n-]n2)cc1 ZINC000821695069 607314348 /nfs/dbraw/zinc/31/43/48/607314348.db2.gz IBWPHLCZRXPYJJ-UHFFFAOYSA-N -1 3 374.242 3.388 20 0 FGADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N[C@H](C)c1ccc2c(c1)OCO2 ZINC000737409321 599265300 /nfs/dbraw/zinc/26/53/00/599265300.db2.gz MKFRWWJAFMYFGU-GFCCVEGCSA-N -1 3 374.404 3.047 20 0 FGADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N[C@H](C)c1ccc2c(c1)OCO2 ZINC000737409321 599265301 /nfs/dbraw/zinc/26/53/01/599265301.db2.gz MKFRWWJAFMYFGU-GFCCVEGCSA-N -1 3 374.404 3.047 20 0 FGADHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2N1CCc2sccc2C1 ZINC000737264498 599265608 /nfs/dbraw/zinc/26/56/08/599265608.db2.gz RTBMTWAFXAADLC-UHFFFAOYSA-N -1 3 366.425 3.487 20 0 FGADHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2N1CCc2sccc2C1 ZINC000737264498 599265609 /nfs/dbraw/zinc/26/56/09/599265609.db2.gz RTBMTWAFXAADLC-UHFFFAOYSA-N -1 3 366.425 3.487 20 0 FGADHM Cc1ccc(NCc2ccc(-c3nnn[n-]3)s2)cc1OCC(F)F ZINC000822258787 607316181 /nfs/dbraw/zinc/31/61/81/607316181.db2.gz CNCJZNIGEVQURY-UHFFFAOYSA-N -1 3 351.382 3.493 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CC[C@@H](Cc2ccccc2)C1 ZINC000822217352 599272715 /nfs/dbraw/zinc/27/27/15/599272715.db2.gz BXGLDLVVAGFWKP-INIZCTEOSA-N -1 3 362.437 3.272 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CC[C@@H](Cc2ccccc2)C1 ZINC000822217352 599272719 /nfs/dbraw/zinc/27/27/19/599272719.db2.gz BXGLDLVVAGFWKP-INIZCTEOSA-N -1 3 362.437 3.272 20 0 FGADHM CC(C)C(NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000820020695 607320033 /nfs/dbraw/zinc/32/00/33/607320033.db2.gz KAOHZVCUCLIPOB-UHFFFAOYSA-N -1 3 359.474 3.213 20 0 FGADHM CC(C)C(NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000820020695 607320034 /nfs/dbraw/zinc/32/00/34/607320034.db2.gz KAOHZVCUCLIPOB-UHFFFAOYSA-N -1 3 359.474 3.213 20 0 FGADHM Cc1ccc(C)c(NC(=O)COc2c(C)cc(-c3nn[n-]n3)cc2C)c1 ZINC000737326682 599283518 /nfs/dbraw/zinc/28/35/18/599283518.db2.gz RJNDWHQFCCPKAF-UHFFFAOYSA-N -1 3 351.410 3.118 20 0 FGADHM Cc1ccccc1N1CCN(c2cccc(Cl)c2-c2nnn[n-]2)CC1 ZINC000822362516 599284790 /nfs/dbraw/zinc/28/47/90/599284790.db2.gz WYOFRRJXWOIZBG-UHFFFAOYSA-N -1 3 354.845 3.155 20 0 FGADHM Cc1ccccc1N1CCN(c2cccc(Cl)c2-c2nn[n-]n2)CC1 ZINC000822362516 599284792 /nfs/dbraw/zinc/28/47/92/599284792.db2.gz WYOFRRJXWOIZBG-UHFFFAOYSA-N -1 3 354.845 3.155 20 0 FGADHM C[C@H](Sc1nnnn1C1CCCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736198313 599287646 /nfs/dbraw/zinc/28/76/46/599287646.db2.gz SEWOKGXPZZPPSY-NSHDSACASA-N -1 3 356.459 3.212 20 0 FGADHM C[C@H](Sc1nnnn1C1CCCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736198313 599287649 /nfs/dbraw/zinc/28/76/49/599287649.db2.gz SEWOKGXPZZPPSY-NSHDSACASA-N -1 3 356.459 3.212 20 0 FGADHM Cc1cn(Cc2cccc(C(=O)Nc3ccccc3)c2)cc1-c1nnn[n-]1 ZINC000822384497 607330515 /nfs/dbraw/zinc/33/05/15/607330515.db2.gz MYRUMLIBEODUFT-UHFFFAOYSA-N -1 3 358.405 3.277 20 0 FGADHM Cc1cn(Cc2cccc(C(=O)Nc3ccccc3)c2)cc1-c1nn[n-]n1 ZINC000822384497 607330516 /nfs/dbraw/zinc/33/05/16/607330516.db2.gz MYRUMLIBEODUFT-UHFFFAOYSA-N -1 3 358.405 3.277 20 0 FGADHM Cc1cn(Cc2c(C)nn(-c3ccccc3)c2Cl)cc1-c1nnn[n-]1 ZINC000822384481 607331144 /nfs/dbraw/zinc/33/11/44/607331144.db2.gz MSBIFHNERATGDH-UHFFFAOYSA-N -1 3 353.817 3.172 20 0 FGADHM Cc1cn(Cc2c(C)nn(-c3ccccc3)c2Cl)cc1-c1nn[n-]n1 ZINC000822384481 607331145 /nfs/dbraw/zinc/33/11/45/607331145.db2.gz MSBIFHNERATGDH-UHFFFAOYSA-N -1 3 353.817 3.172 20 0 FGADHM Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)c1cccc(C(=O)[O-])c1 ZINC000821103453 598150794 /nfs/dbraw/zinc/15/07/94/598150794.db2.gz JQGCKANDDGEEEO-HKUYNNGSSA-N -1 3 350.418 3.141 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1NCCCCOCCc1ccccc1 ZINC000737639424 598239517 /nfs/dbraw/zinc/23/95/17/598239517.db2.gz AMFCHABPOJABQD-UHFFFAOYSA-N -1 3 355.417 3.457 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000737641937 598240620 /nfs/dbraw/zinc/24/06/20/598240620.db2.gz ZOUCPPPCIWHBAT-INIZCTEOSA-N -1 3 359.792 3.237 20 0 FGADHM CC[C@H](C)[C@H](C)N(C(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000736333779 598240677 /nfs/dbraw/zinc/24/06/77/598240677.db2.gz VCDOLQBYZILXCJ-MELADBBJSA-N -1 3 357.458 3.060 20 0 FGADHM C[C@H](Nc1cccc(C(F)F)c1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736136088 598273176 /nfs/dbraw/zinc/27/31/76/598273176.db2.gz FCKGRUFIABVLEL-JTQLQIEISA-N -1 3 358.352 3.243 20 0 FGADHM C[C@H](Nc1cccc(C(F)F)c1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736136088 598273177 /nfs/dbraw/zinc/27/31/77/598273177.db2.gz FCKGRUFIABVLEL-JTQLQIEISA-N -1 3 358.352 3.243 20 0 FGADHM CN(Cc1ccc(F)cc1)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736820244 598275391 /nfs/dbraw/zinc/27/53/91/598275391.db2.gz TVRIHQYLNYQTHN-UHFFFAOYSA-N -1 3 371.420 3.226 20 0 FGADHM CN(Cc1ccc(F)cc1)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736820244 598275393 /nfs/dbraw/zinc/27/53/93/598275393.db2.gz TVRIHQYLNYQTHN-UHFFFAOYSA-N -1 3 371.420 3.226 20 0 FGADHM CCOc1ccccc1NC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736654408 598276747 /nfs/dbraw/zinc/27/67/47/598276747.db2.gz DMEJALCDUHCQRO-UHFFFAOYSA-N -1 3 369.429 3.466 20 0 FGADHM CCOc1ccccc1NC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736654408 598276748 /nfs/dbraw/zinc/27/67/48/598276748.db2.gz DMEJALCDUHCQRO-UHFFFAOYSA-N -1 3 369.429 3.466 20 0 FGADHM C[C@@H]1CCC[C@@H](N(C)C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)C1 ZINC000736247406 598277960 /nfs/dbraw/zinc/27/79/60/598277960.db2.gz COTXVUHLDUIAKH-TZMCWYRMSA-N -1 3 359.478 3.466 20 0 FGADHM C[C@@H]1CCC[C@@H](N(C)C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)C1 ZINC000736247406 598277961 /nfs/dbraw/zinc/27/79/61/598277961.db2.gz COTXVUHLDUIAKH-TZMCWYRMSA-N -1 3 359.478 3.466 20 0 FGADHM COc1ccccc1C(C)=CC(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000737142991 598278772 /nfs/dbraw/zinc/27/87/72/598278772.db2.gz RIPFQALIFJLQMS-BENRWUELSA-N -1 3 367.384 3.081 20 0 FGADHM COc1ccccc1C(C)=CC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000737142991 598278774 /nfs/dbraw/zinc/27/87/74/598278774.db2.gz RIPFQALIFJLQMS-BENRWUELSA-N -1 3 367.384 3.081 20 0 FGADHM Cc1ccc(CNC(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)c(C)c1 ZINC000737343604 598280031 /nfs/dbraw/zinc/28/00/31/598280031.db2.gz ZNVGWGQHAJPYQY-UHFFFAOYSA-N -1 3 367.457 3.362 20 0 FGADHM Cc1ccc(CNC(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)c(C)c1 ZINC000737343604 598280032 /nfs/dbraw/zinc/28/00/32/598280032.db2.gz ZNVGWGQHAJPYQY-UHFFFAOYSA-N -1 3 367.457 3.362 20 0 FGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)c1cc(Cl)sc1Cl ZINC000738102642 598305466 /nfs/dbraw/zinc/30/54/66/598305466.db2.gz SKZNQKIXWBWKRK-UHFFFAOYSA-N -1 3 372.212 3.304 20 0 FGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)c1cc(Cl)sc1Cl ZINC000738102642 598305468 /nfs/dbraw/zinc/30/54/68/598305468.db2.gz SKZNQKIXWBWKRK-UHFFFAOYSA-N -1 3 372.212 3.304 20 0 FGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)C1(c2ccccc2)CCCC1 ZINC000738099565 598309674 /nfs/dbraw/zinc/30/96/74/598309674.db2.gz GJGMBWILGQDOCF-UHFFFAOYSA-N -1 3 365.412 3.134 20 0 FGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)C1(c2ccccc2)CCCC1 ZINC000738099565 598309676 /nfs/dbraw/zinc/30/96/76/598309676.db2.gz GJGMBWILGQDOCF-UHFFFAOYSA-N -1 3 365.412 3.134 20 0 FGADHM Clc1ccc(N2CCCO[C@@H](c3ccccc3)C2)c(-c2nnn[n-]2)c1 ZINC000737575532 598310896 /nfs/dbraw/zinc/31/08/96/598310896.db2.gz MABRXLVRJSDPOO-QGZVFWFLSA-N -1 3 355.829 3.488 20 0 FGADHM Clc1ccc(N2CCCO[C@@H](c3ccccc3)C2)c(-c2nn[n-]n2)c1 ZINC000737575532 598310897 /nfs/dbraw/zinc/31/08/97/598310897.db2.gz MABRXLVRJSDPOO-QGZVFWFLSA-N -1 3 355.829 3.488 20 0 FGADHM CCc1ccc([C@@H](C)NC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000736685497 598317237 /nfs/dbraw/zinc/31/72/37/598317237.db2.gz MCQQOIVUFLQHJR-GFCCVEGCSA-N -1 3 368.416 3.129 20 0 FGADHM CCc1ccc([C@@H](C)NC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000736685497 598317239 /nfs/dbraw/zinc/31/72/39/598317239.db2.gz MCQQOIVUFLQHJR-GFCCVEGCSA-N -1 3 368.416 3.129 20 0 FGADHM S=C(NCc1ccc(Cl)o1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000738401824 598319608 /nfs/dbraw/zinc/31/96/08/598319608.db2.gz UWSVNUJHUOJIRR-UHFFFAOYSA-N -1 3 369.237 3.253 20 0 FGADHM S=C(NCc1ccc(Cl)o1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000738401824 598319610 /nfs/dbraw/zinc/31/96/10/598319610.db2.gz UWSVNUJHUOJIRR-UHFFFAOYSA-N -1 3 369.237 3.253 20 0 FGADHM CSc1cccc(NC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000737190351 598322332 /nfs/dbraw/zinc/32/23/32/598322332.db2.gz GGOYQPWPAINEEY-UHFFFAOYSA-N -1 3 358.402 3.049 20 0 FGADHM CSc1cccc(NC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000737190351 598322335 /nfs/dbraw/zinc/32/23/35/598322335.db2.gz GGOYQPWPAINEEY-UHFFFAOYSA-N -1 3 358.402 3.049 20 0 FGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cccc(F)c1F ZINC000735875059 598326931 /nfs/dbraw/zinc/32/69/31/598326931.db2.gz YUJVSGPCFLBUCE-UHFFFAOYSA-N -1 3 357.364 3.196 20 0 FGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cccc(F)c1F ZINC000735875059 598326934 /nfs/dbraw/zinc/32/69/34/598326934.db2.gz YUJVSGPCFLBUCE-UHFFFAOYSA-N -1 3 357.364 3.196 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1csc(C(C)C)n1 ZINC000736633590 598327230 /nfs/dbraw/zinc/32/72/30/598327230.db2.gz BBRLXUILICIIBS-UHFFFAOYSA-N -1 3 358.427 3.098 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1csc(C(C)C)n1 ZINC000736633590 598327233 /nfs/dbraw/zinc/32/72/33/598327233.db2.gz BBRLXUILICIIBS-UHFFFAOYSA-N -1 3 358.427 3.098 20 0 FGADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCC2(CCCCC2)CC1 ZINC000736184154 598327864 /nfs/dbraw/zinc/32/78/64/598327864.db2.gz WHMSDXXSWMRQKD-OAHLLOKOSA-N -1 3 369.469 3.207 20 0 FGADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCC2(CCCCC2)CC1 ZINC000736184154 598327866 /nfs/dbraw/zinc/32/78/66/598327866.db2.gz WHMSDXXSWMRQKD-OAHLLOKOSA-N -1 3 369.469 3.207 20 0 FGADHM CCC(CC)n1ccc(COC(=O)C=Cc2ccccc2-c2nnn[n-]2)n1 ZINC000820898038 607350784 /nfs/dbraw/zinc/35/07/84/607350784.db2.gz SURAOMCURWPHPG-KTKRTIGZSA-N -1 3 366.425 3.181 20 0 FGADHM CCC(CC)n1ccc(COC(=O)C=Cc2ccccc2-c2nn[n-]n2)n1 ZINC000820898038 607350786 /nfs/dbraw/zinc/35/07/86/607350786.db2.gz SURAOMCURWPHPG-KTKRTIGZSA-N -1 3 366.425 3.181 20 0 FGADHM CN(C(=O)[C@H]1CCCc2sccc21)c1ccc(-c2nnn[n-]2)cc1F ZINC000821569255 607350828 /nfs/dbraw/zinc/35/08/28/607350828.db2.gz CTBSNUJDAHKFMW-LBPRGKRZSA-N -1 3 357.414 3.150 20 0 FGADHM CN(C(=O)[C@H]1CCCc2sccc21)c1ccc(-c2nn[n-]n2)cc1F ZINC000821569255 607350830 /nfs/dbraw/zinc/35/08/30/607350830.db2.gz CTBSNUJDAHKFMW-LBPRGKRZSA-N -1 3 357.414 3.150 20 0 FGADHM COc1ccsc1C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC000737160267 598359522 /nfs/dbraw/zinc/35/95/22/598359522.db2.gz XVISAKJEYLSDBS-UHFFFAOYSA-N -1 3 371.466 3.235 20 0 FGADHM COc1ccsc1C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC000737160267 598359524 /nfs/dbraw/zinc/35/95/24/598359524.db2.gz XVISAKJEYLSDBS-UHFFFAOYSA-N -1 3 371.466 3.235 20 0 FGADHM CC(C)(C)c1nc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2F)cs1 ZINC000735655496 598360317 /nfs/dbraw/zinc/36/03/17/598360317.db2.gz ARFMRSDLWQKBOK-UHFFFAOYSA-N -1 3 361.402 3.117 20 0 FGADHM CC(C)(C)c1nc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2F)cs1 ZINC000735655496 598360319 /nfs/dbraw/zinc/36/03/19/598360319.db2.gz ARFMRSDLWQKBOK-UHFFFAOYSA-N -1 3 361.402 3.117 20 0 FGADHM C[C@@H](NC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C)c1cccc(O)c1 ZINC000736114280 598376026 /nfs/dbraw/zinc/37/60/26/598376026.db2.gz AGRFMBSGANYTOZ-LLVKDONJSA-N -1 3 369.429 3.012 20 0 FGADHM C[C@@H](NC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C)c1cccc(O)c1 ZINC000736114280 598376027 /nfs/dbraw/zinc/37/60/27/598376027.db2.gz AGRFMBSGANYTOZ-LLVKDONJSA-N -1 3 369.429 3.012 20 0 FGADHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)[C@@H]1CCCc2sccc21 ZINC000823413267 607355360 /nfs/dbraw/zinc/35/53/60/607355360.db2.gz DOOWUSTVZMTHLO-CQSZACIVSA-N -1 3 358.398 3.231 20 0 FGADHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)[C@@H]1CCCc2sccc21 ZINC000823413267 607355362 /nfs/dbraw/zinc/35/53/62/607355362.db2.gz DOOWUSTVZMTHLO-CQSZACIVSA-N -1 3 358.398 3.231 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cccc2c1ccn2C ZINC000736634153 598382768 /nfs/dbraw/zinc/38/27/68/598382768.db2.gz JBWQLNJBQHMCDT-UHFFFAOYSA-N -1 3 362.393 3.009 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cccc2c1ccn2C ZINC000736634153 598382769 /nfs/dbraw/zinc/38/27/69/598382769.db2.gz JBWQLNJBQHMCDT-UHFFFAOYSA-N -1 3 362.393 3.009 20 0 FGADHM Fc1ccc([C@H](NCc2ccc(-c3nn[n-]n3)cc2)c2cccnc2)cc1 ZINC000737651587 598387186 /nfs/dbraw/zinc/38/71/86/598387186.db2.gz TUFJHIUTZIUWEX-IBGZPJMESA-N -1 3 360.396 3.280 20 0 FGADHM Cc1c(NC(=O)N2Cc3ccccc3C(F)(F)C2)cccc1-c1nnn[n-]1 ZINC000822090195 607355788 /nfs/dbraw/zinc/35/57/88/607355788.db2.gz JBQSDIJUFHMPQY-UHFFFAOYSA-N -1 3 370.363 3.315 20 0 FGADHM Cc1c(NC(=O)N2Cc3ccccc3C(F)(F)C2)cccc1-c1nn[n-]n1 ZINC000822090195 607355789 /nfs/dbraw/zinc/35/57/89/607355789.db2.gz JBQSDIJUFHMPQY-UHFFFAOYSA-N -1 3 370.363 3.315 20 0 FGADHM COc1ccc2c(c1)CCC[C@H]2Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC000737115782 598392775 /nfs/dbraw/zinc/39/27/75/598392775.db2.gz RIDLLQBOKMSPLI-OAHLLOKOSA-N -1 3 356.817 3.413 20 0 FGADHM COc1ccc2c(c1)CCC[C@H]2Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC000737115782 598392776 /nfs/dbraw/zinc/39/27/76/598392776.db2.gz RIDLLQBOKMSPLI-OAHLLOKOSA-N -1 3 356.817 3.413 20 0 FGADHM CO[C@@H](C)c1cccc(N[C@@H](C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)c1 ZINC000736963732 598397149 /nfs/dbraw/zinc/39/71/49/598397149.db2.gz SRNDNZAKTMSXSR-STQMWFEESA-N -1 3 366.425 3.013 20 0 FGADHM CO[C@@H](C)c1cccc(N[C@@H](C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)c1 ZINC000736963732 598397151 /nfs/dbraw/zinc/39/71/51/598397151.db2.gz SRNDNZAKTMSXSR-STQMWFEESA-N -1 3 366.425 3.013 20 0 FGADHM Cc1ccc2c(c1)[C@H](NC(=O)CSc1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000737371921 598399471 /nfs/dbraw/zinc/39/94/71/598399471.db2.gz PYYPAABSLNOMRC-QGZVFWFLSA-N -1 3 365.462 3.071 20 0 FGADHM Cc1ccc2c(c1)[C@H](NC(=O)CSc1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000737371921 598399472 /nfs/dbraw/zinc/39/94/72/598399472.db2.gz PYYPAABSLNOMRC-QGZVFWFLSA-N -1 3 365.462 3.071 20 0 FGADHM Cc1c2c(nc(SCc3nccn3C(C)C)c1-c1nnn[n-]1)CCC2 ZINC000737218557 598419723 /nfs/dbraw/zinc/41/97/23/598419723.db2.gz MBWVELNFSXTVRW-UHFFFAOYSA-N -1 3 355.471 3.129 20 0 FGADHM Cc1c2c(nc(SCc3nccn3C(C)C)c1-c1nn[n-]n1)CCC2 ZINC000737218557 598419725 /nfs/dbraw/zinc/41/97/25/598419725.db2.gz MBWVELNFSXTVRW-UHFFFAOYSA-N -1 3 355.471 3.129 20 0 FGADHM O=C(Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)NC1CCC1 ZINC000738185987 598432474 /nfs/dbraw/zinc/43/24/74/598432474.db2.gz VVYGREKJHSIMMG-UHFFFAOYSA-N -1 3 350.382 3.333 20 0 FGADHM O=C(Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)NC1CCC1 ZINC000738185987 598432475 /nfs/dbraw/zinc/43/24/75/598432475.db2.gz VVYGREKJHSIMMG-UHFFFAOYSA-N -1 3 350.382 3.333 20 0 FGADHM O=C(Oc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(-c2nnn[n-]2)cn1 ZINC000738251570 598438845 /nfs/dbraw/zinc/43/88/45/598438845.db2.gz RDSWAOPDYUBRMD-UHFFFAOYSA-N -1 3 369.690 3.153 20 0 FGADHM O=C(Oc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738251570 598438847 /nfs/dbraw/zinc/43/88/47/598438847.db2.gz RDSWAOPDYUBRMD-UHFFFAOYSA-N -1 3 369.690 3.153 20 0 FGADHM O=C(Nc1ccc(-c2ccccc2)cc1F)c1ccc(-c2nnn[n-]2)cn1 ZINC000738144488 598444018 /nfs/dbraw/zinc/44/40/18/598444018.db2.gz MECFTWXLCUEWMT-UHFFFAOYSA-N -1 3 360.352 3.320 20 0 FGADHM O=C(Nc1ccc(-c2ccccc2)cc1F)c1ccc(-c2nn[n-]n2)cn1 ZINC000738144488 598444019 /nfs/dbraw/zinc/44/40/19/598444019.db2.gz MECFTWXLCUEWMT-UHFFFAOYSA-N -1 3 360.352 3.320 20 0 FGADHM Cc1cc(NC(=O)c2ccc(-c3nnn[n-]3)cn2)ccc1Oc1cccnc1 ZINC000737276106 598449095 /nfs/dbraw/zinc/44/90/95/598449095.db2.gz YXLXCTLYFKRFDY-UHFFFAOYSA-N -1 3 373.376 3.010 20 0 FGADHM Cc1cc(NC(=O)c2ccc(-c3nn[n-]n3)cn2)ccc1Oc1cccnc1 ZINC000737276106 598449097 /nfs/dbraw/zinc/44/90/97/598449097.db2.gz YXLXCTLYFKRFDY-UHFFFAOYSA-N -1 3 373.376 3.010 20 0 FGADHM COc1ccccc1C(C)=CC(=O)OCc1ccccc1-c1nnn[n-]1 ZINC000737141106 598475035 /nfs/dbraw/zinc/47/50/35/598475035.db2.gz GTTLXEYEJBSDRK-QBFSEMIESA-N -1 3 350.378 3.022 20 0 FGADHM COc1ccccc1C(C)=CC(=O)OCc1ccccc1-c1nn[n-]n1 ZINC000737141106 598475036 /nfs/dbraw/zinc/47/50/36/598475036.db2.gz GTTLXEYEJBSDRK-QBFSEMIESA-N -1 3 350.378 3.022 20 0 FGADHM COc1ccc([C@H](C)C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737073439 598485641 /nfs/dbraw/zinc/48/56/41/598485641.db2.gz QLQRVKFSEHPVDA-STQMWFEESA-N -1 3 352.394 3.283 20 0 FGADHM COc1ccc([C@H](C)C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737073439 598485642 /nfs/dbraw/zinc/48/56/42/598485642.db2.gz QLQRVKFSEHPVDA-STQMWFEESA-N -1 3 352.394 3.283 20 0 FGADHM Cc1cc(C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)nn1-c1ccccc1 ZINC000737238037 598486599 /nfs/dbraw/zinc/48/65/99/598486599.db2.gz HJTYQJSDRGMMLS-AWEZNQCLSA-N -1 3 374.404 3.279 20 0 FGADHM Cc1cc(C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)nn1-c1ccccc1 ZINC000737238037 598486601 /nfs/dbraw/zinc/48/66/01/598486601.db2.gz HJTYQJSDRGMMLS-AWEZNQCLSA-N -1 3 374.404 3.279 20 0 FGADHM C[C@@H](OC(=O)[C@H](C)Oc1cccc(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000736182361 598486612 /nfs/dbraw/zinc/48/66/12/598486612.db2.gz NQZANQGUTQWRKB-NEPJUHHUSA-N -1 3 356.357 3.078 20 0 FGADHM C[C@@H](OC(=O)[C@H](C)Oc1cccc(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000736182361 598486614 /nfs/dbraw/zinc/48/66/14/598486614.db2.gz NQZANQGUTQWRKB-NEPJUHHUSA-N -1 3 356.357 3.078 20 0 FGADHM C[C@@H](OC(=O)CCCOc1ccc(F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000736151058 598487050 /nfs/dbraw/zinc/48/70/50/598487050.db2.gz QBDWMXNHISROOQ-CYBMUJFWSA-N -1 3 370.384 3.469 20 0 FGADHM C[C@@H](OC(=O)CCCOc1ccc(F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000736151058 598487052 /nfs/dbraw/zinc/48/70/52/598487052.db2.gz QBDWMXNHISROOQ-CYBMUJFWSA-N -1 3 370.384 3.469 20 0 FGADHM C[C@H](OC(=O)CCCOc1ccc(F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000736151060 598487155 /nfs/dbraw/zinc/48/71/55/598487155.db2.gz QBDWMXNHISROOQ-ZDUSSCGKSA-N -1 3 370.384 3.469 20 0 FGADHM C[C@H](OC(=O)CCCOc1ccc(F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000736151060 598487157 /nfs/dbraw/zinc/48/71/57/598487157.db2.gz QBDWMXNHISROOQ-ZDUSSCGKSA-N -1 3 370.384 3.469 20 0 FGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC000735655292 598488890 /nfs/dbraw/zinc/48/88/90/598488890.db2.gz MPWKFATXYULCBX-CABCVRRESA-N -1 3 368.416 3.305 20 0 FGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC000735655292 598488892 /nfs/dbraw/zinc/48/88/92/598488892.db2.gz MPWKFATXYULCBX-CABCVRRESA-N -1 3 368.416 3.305 20 0 FGADHM C[C@@H](OC(=O)C=Cc1cnc2ccccc2n1)c1cccc(-c2nnn[n-]2)c1 ZINC000736154394 598489089 /nfs/dbraw/zinc/48/90/89/598489089.db2.gz UWPUCGXARYEPNQ-WTNCMQEWSA-N -1 3 372.388 3.128 20 0 FGADHM C[C@@H](OC(=O)C=Cc1cnc2ccccc2n1)c1cccc(-c2nn[n-]n2)c1 ZINC000736154394 598489091 /nfs/dbraw/zinc/48/90/91/598489091.db2.gz UWPUCGXARYEPNQ-WTNCMQEWSA-N -1 3 372.388 3.128 20 0 FGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)Cc1ccc2c(c1)CCC2 ZINC000735661511 598489411 /nfs/dbraw/zinc/48/94/11/598489411.db2.gz TVRWZCNFEASWOO-UHFFFAOYSA-N -1 3 364.453 3.093 20 0 FGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)Cc1ccc2c(c1)CCC2 ZINC000735661511 598489413 /nfs/dbraw/zinc/48/94/13/598489413.db2.gz TVRWZCNFEASWOO-UHFFFAOYSA-N -1 3 364.453 3.093 20 0 FGADHM C[C@H]1CC[C@H](NC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000737196573 598493688 /nfs/dbraw/zinc/49/36/88/598493688.db2.gz RGYIRSCYJRTEEF-MGCOHNPYSA-N -1 3 350.879 3.385 20 0 FGADHM C[C@H]1CC[C@H](NC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000737196573 598493689 /nfs/dbraw/zinc/49/36/89/598493689.db2.gz RGYIRSCYJRTEEF-MGCOHNPYSA-N -1 3 350.879 3.385 20 0 FGADHM CCc1c(C)sc(NC(=O)COc2cccc(C)c2)c1-c1nnn[n-]1 ZINC000736676326 598519169 /nfs/dbraw/zinc/51/91/69/598519169.db2.gz RQSKRTWVVWJVFL-UHFFFAOYSA-N -1 3 357.439 3.125 20 0 FGADHM CCc1c(C)sc(NC(=O)COc2cccc(C)c2)c1-c1nn[n-]n1 ZINC000736676326 598519170 /nfs/dbraw/zinc/51/91/70/598519170.db2.gz RQSKRTWVVWJVFL-UHFFFAOYSA-N -1 3 357.439 3.125 20 0 FGADHM CC(C)CC[C@@H]1CCC[C@H]1NC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000735797979 598519881 /nfs/dbraw/zinc/51/98/81/598519881.db2.gz TXCXACJLLOLJRF-HLLBOEOZSA-N -1 3 371.485 3.355 20 0 FGADHM CC(C)CC[C@@H]1CCC[C@H]1NC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000735797979 598519882 /nfs/dbraw/zinc/51/98/82/598519882.db2.gz TXCXACJLLOLJRF-HLLBOEOZSA-N -1 3 371.485 3.355 20 0 FGADHM CSc1nc(C2CC2)cc(C(=O)NCC2(C)CCCC2)c1-c1nnn[n-]1 ZINC000737190219 598536361 /nfs/dbraw/zinc/53/63/61/598536361.db2.gz VPMKILCXOQNYAO-UHFFFAOYSA-N -1 3 372.498 3.171 20 0 FGADHM Cc1ccc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)cc1C ZINC000737314279 598546204 /nfs/dbraw/zinc/54/62/04/598546204.db2.gz AZEFIUFYWQKIJP-UHFFFAOYSA-N -1 3 359.336 3.337 20 0 FGADHM Cc1ccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)cc1C ZINC000737314279 598546206 /nfs/dbraw/zinc/54/62/06/598546206.db2.gz AZEFIUFYWQKIJP-UHFFFAOYSA-N -1 3 359.336 3.337 20 0 FGADHM CCOc1ccc(C(C)=O)cc1COc1ccc(-c2nnn[n-]2)c(F)c1 ZINC000736635937 598547795 /nfs/dbraw/zinc/54/77/95/598547795.db2.gz FQQVBXDTRIHFGO-UHFFFAOYSA-N -1 3 356.357 3.186 20 0 FGADHM CCOc1ccc(C(C)=O)cc1COc1ccc(-c2nn[n-]n2)c(F)c1 ZINC000736635937 598547796 /nfs/dbraw/zinc/54/77/96/598547796.db2.gz FQQVBXDTRIHFGO-UHFFFAOYSA-N -1 3 356.357 3.186 20 0 FGADHM O=C(Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)C1CCOCC1 ZINC000738173874 598556135 /nfs/dbraw/zinc/55/61/35/598556135.db2.gz VALQUPNOIWGHBH-UHFFFAOYSA-N -1 3 365.393 3.024 20 0 FGADHM O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)C1CCOCC1 ZINC000738173874 598556137 /nfs/dbraw/zinc/55/61/37/598556137.db2.gz VALQUPNOIWGHBH-UHFFFAOYSA-N -1 3 365.393 3.024 20 0 FGADHM CC[C@H](C)[C@H](C)NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000736327384 598562084 /nfs/dbraw/zinc/56/20/84/598562084.db2.gz FBYBPFRKUFAFPD-IUCAKERBSA-N -1 3 354.361 3.024 20 0 FGADHM CC[C@H](C)[C@H](C)NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000736327384 598562086 /nfs/dbraw/zinc/56/20/86/598562086.db2.gz FBYBPFRKUFAFPD-IUCAKERBSA-N -1 3 354.361 3.024 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)/C=C\Sc1ccccc1 ZINC000736629585 598565745 /nfs/dbraw/zinc/56/57/45/598565745.db2.gz WYADNWWIBHLMDD-KHPPLWFESA-N -1 3 368.418 3.477 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)/C=C\Sc1ccccc1 ZINC000736629585 598565746 /nfs/dbraw/zinc/56/57/46/598565746.db2.gz WYADNWWIBHLMDD-KHPPLWFESA-N -1 3 368.418 3.477 20 0 FGADHM C[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736100543 598568211 /nfs/dbraw/zinc/56/82/11/598568211.db2.gz MNSKHSOVCZLAGW-COLVAYQJSA-N -1 3 369.375 3.126 20 0 FGADHM C[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736100543 598568213 /nfs/dbraw/zinc/56/82/13/598568213.db2.gz MNSKHSOVCZLAGW-COLVAYQJSA-N -1 3 369.375 3.126 20 0 FGADHM O[C@H](CNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccc(F)cc1 ZINC000738382003 598573658 /nfs/dbraw/zinc/57/36/58/598573658.db2.gz JMLDUOUIVXJQDA-CQSZACIVSA-N -1 3 367.306 3.170 20 0 FGADHM O[C@H](CNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccc(F)cc1 ZINC000738382003 598573660 /nfs/dbraw/zinc/57/36/60/598573660.db2.gz JMLDUOUIVXJQDA-CQSZACIVSA-N -1 3 367.306 3.170 20 0 FGADHM CN(Cc1ncc(-c2cccs2)o1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736821290 598580362 /nfs/dbraw/zinc/58/03/62/598580362.db2.gz CAWKOZQQPPIMRF-UHFFFAOYSA-N -1 3 352.423 3.215 20 0 FGADHM CN(Cc1ncc(-c2cccs2)o1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736821290 598580364 /nfs/dbraw/zinc/58/03/64/598580364.db2.gz CAWKOZQQPPIMRF-UHFFFAOYSA-N -1 3 352.423 3.215 20 0 FGADHM CCc1c(C)sc(NC(=O)[C@@H]2CCOc3ccccc32)c1-c1nnn[n-]1 ZINC000736671166 598581980 /nfs/dbraw/zinc/58/19/80/598581980.db2.gz STXPLLLRZQLVGS-CYBMUJFWSA-N -1 3 369.450 3.304 20 0 FGADHM CCc1c(C)sc(NC(=O)[C@@H]2CCOc3ccccc32)c1-c1nn[n-]n1 ZINC000736671166 598581981 /nfs/dbraw/zinc/58/19/81/598581981.db2.gz STXPLLLRZQLVGS-CYBMUJFWSA-N -1 3 369.450 3.304 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1Br ZINC000738165235 598592874 /nfs/dbraw/zinc/59/28/74/598592874.db2.gz AGNPXEDZVUIWMR-UHFFFAOYSA-N -1 3 362.162 3.021 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1Br ZINC000738165235 598592875 /nfs/dbraw/zinc/59/28/75/598592875.db2.gz AGNPXEDZVUIWMR-UHFFFAOYSA-N -1 3 362.162 3.021 20 0 FGADHM C[C@@H]1C[C@H]1C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000736236903 598593367 /nfs/dbraw/zinc/59/33/67/598593367.db2.gz TWPYDPINSSCYPM-IAQYHMDHSA-N -1 3 367.384 3.179 20 0 FGADHM C[C@@H]1C[C@H]1C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000736236903 598593369 /nfs/dbraw/zinc/59/33/69/598593369.db2.gz TWPYDPINSSCYPM-IAQYHMDHSA-N -1 3 367.384 3.179 20 0 FGADHM c1ccc(Cc2nc(CSCc3ccccc3-c3nnn[n-]3)no2)cc1 ZINC000738433682 598597328 /nfs/dbraw/zinc/59/73/28/598597328.db2.gz WXGXBTOSIZPMLC-UHFFFAOYSA-N -1 3 364.434 3.274 20 0 FGADHM c1ccc(Cc2nc(CSCc3ccccc3-c3nn[n-]n3)no2)cc1 ZINC000738433682 598597330 /nfs/dbraw/zinc/59/73/30/598597330.db2.gz WXGXBTOSIZPMLC-UHFFFAOYSA-N -1 3 364.434 3.274 20 0 FGADHM COc1cc(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)ccc1OC(C)C ZINC000737039787 598598968 /nfs/dbraw/zinc/59/89/68/598598968.db2.gz CLLGRHFGYPCALZ-UHFFFAOYSA-N -1 3 371.372 3.054 20 0 FGADHM COc1cc(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)ccc1OC(C)C ZINC000737039787 598598970 /nfs/dbraw/zinc/59/89/70/598598970.db2.gz CLLGRHFGYPCALZ-UHFFFAOYSA-N -1 3 371.372 3.054 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NCCCc1cccc(F)c1 ZINC000737295720 598599437 /nfs/dbraw/zinc/59/94/37/598599437.db2.gz YZVSJHOPSGANSA-UHFFFAOYSA-N -1 3 354.389 3.069 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NCCCc1cccc(F)c1 ZINC000737295720 598599439 /nfs/dbraw/zinc/59/94/39/598599439.db2.gz YZVSJHOPSGANSA-UHFFFAOYSA-N -1 3 354.389 3.069 20 0 FGADHM Cc1cccn2cc(CNc3cc(-c4nn[n-]n4)ccc3OC(C)C)nc12 ZINC000737432616 598602342 /nfs/dbraw/zinc/60/23/42/598602342.db2.gz BGDPBKJIEGAWDO-UHFFFAOYSA-N -1 3 363.425 3.222 20 0 FGADHM CCc1ccc(-c2noc(CNc3ccc(F)c(-c4nnn[n-]4)c3)n2)cc1 ZINC000736678098 598603172 /nfs/dbraw/zinc/60/31/72/598603172.db2.gz ROYPCZPZGVPFAJ-UHFFFAOYSA-N -1 3 365.372 3.230 20 0 FGADHM CCc1ccc(-c2noc(CNc3ccc(F)c(-c4nn[n-]n4)c3)n2)cc1 ZINC000736678098 598603174 /nfs/dbraw/zinc/60/31/74/598603174.db2.gz ROYPCZPZGVPFAJ-UHFFFAOYSA-N -1 3 365.372 3.230 20 0 FGADHM CCC[C@H](NC(=O)CNc1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000736430533 598603358 /nfs/dbraw/zinc/60/33/58/598603358.db2.gz ULTWNMNXTPXMFM-KRWDZBQOSA-N -1 3 368.416 3.075 20 0 FGADHM CCC[C@H](NC(=O)CNc1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000736430533 598603360 /nfs/dbraw/zinc/60/33/60/598603360.db2.gz ULTWNMNXTPXMFM-KRWDZBQOSA-N -1 3 368.416 3.075 20 0 FGADHM Clc1cccc(Cl)c1-c1noc(-c2ccc(-c3nnn[n-]3)cn2)n1 ZINC000737575305 598608980 /nfs/dbraw/zinc/60/89/80/598608980.db2.gz QHQGWLCJBCXKAO-UHFFFAOYSA-N -1 3 360.164 3.286 20 0 FGADHM Clc1cccc(Cl)c1-c1noc(-c2ccc(-c3nn[n-]n3)cn2)n1 ZINC000737575305 598608982 /nfs/dbraw/zinc/60/89/82/598608982.db2.gz QHQGWLCJBCXKAO-UHFFFAOYSA-N -1 3 360.164 3.286 20 0 FGADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc(-c2ccccc2)[nH]1 ZINC000736823652 598617131 /nfs/dbraw/zinc/61/71/31/598617131.db2.gz ZAMHOJFLGDVWIN-UHFFFAOYSA-N -1 3 358.405 3.134 20 0 FGADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc(-c2ccccc2)[nH]1 ZINC000736823652 598617133 /nfs/dbraw/zinc/61/71/33/598617133.db2.gz ZAMHOJFLGDVWIN-UHFFFAOYSA-N -1 3 358.405 3.134 20 0 FGADHM Cc1nc2ccccc2n1CCNc1c(Cl)cccc1-c1nnn[n-]1 ZINC000737490759 598630809 /nfs/dbraw/zinc/63/08/09/598630809.db2.gz WMQQXOAXUKPBNU-UHFFFAOYSA-N -1 3 353.817 3.290 20 0 FGADHM Cc1nc2ccccc2n1CCNc1c(Cl)cccc1-c1nn[n-]n1 ZINC000737490759 598630811 /nfs/dbraw/zinc/63/08/11/598630811.db2.gz WMQQXOAXUKPBNU-UHFFFAOYSA-N -1 3 353.817 3.290 20 0 FGADHM COc1ccc([C@@H](C)NC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1F ZINC000737073469 598632246 /nfs/dbraw/zinc/63/22/46/598632246.db2.gz RQEOHYFDWGNDPL-SECBINFHSA-N -1 3 374.351 3.036 20 0 FGADHM COc1ccc([C@@H](C)NC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1F ZINC000737073469 598632247 /nfs/dbraw/zinc/63/22/47/598632247.db2.gz RQEOHYFDWGNDPL-SECBINFHSA-N -1 3 374.351 3.036 20 0 FGADHM CC(=O)c1ccc(OCc2cn3ccccc3c2-c2nnn[n-]2)c(F)c1 ZINC000735497614 598645625 /nfs/dbraw/zinc/64/56/25/598645625.db2.gz FGOJVPIOVCZEIU-UHFFFAOYSA-N -1 3 351.341 3.040 20 0 FGADHM CC(=O)c1ccc(OCc2cn3ccccc3c2-c2nn[n-]n2)c(F)c1 ZINC000735497614 598645627 /nfs/dbraw/zinc/64/56/27/598645627.db2.gz FGOJVPIOVCZEIU-UHFFFAOYSA-N -1 3 351.341 3.040 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)C(C)(C)c1ccc(C)cc1 ZINC000737027003 598649179 /nfs/dbraw/zinc/64/91/79/598649179.db2.gz WMYPWSZNTKIZTB-UHFFFAOYSA-N -1 3 352.394 3.067 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)C(C)(C)c1ccc(C)cc1 ZINC000737027003 598649181 /nfs/dbraw/zinc/64/91/81/598649181.db2.gz WMYPWSZNTKIZTB-UHFFFAOYSA-N -1 3 352.394 3.067 20 0 FGADHM CCN(C(=O)CC[C@@H]1CCCCO1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736502630 598651623 /nfs/dbraw/zinc/65/16/23/598651623.db2.gz OXWYYCZIZBHILO-PBHICJAKSA-N -1 3 357.458 3.126 20 0 FGADHM CCN(C(=O)CC[C@@H]1CCCCO1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736502630 598651625 /nfs/dbraw/zinc/65/16/25/598651625.db2.gz OXWYYCZIZBHILO-PBHICJAKSA-N -1 3 357.458 3.126 20 0 FGADHM COc1ccccc1[C@H](C)CC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737143084 598652499 /nfs/dbraw/zinc/65/24/99/598652499.db2.gz SBDYZFICGAEGMA-KGLIPLIRSA-N -1 3 365.437 3.246 20 0 FGADHM COc1ccccc1[C@H](C)CC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737143084 598652501 /nfs/dbraw/zinc/65/25/01/598652501.db2.gz SBDYZFICGAEGMA-KGLIPLIRSA-N -1 3 365.437 3.246 20 0 FGADHM Cc1ccccc1[C@@H](C)N(C)C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000737421173 598652881 /nfs/dbraw/zinc/65/28/81/598652881.db2.gz KKDHECUNEOTWFG-CQSZACIVSA-N -1 3 367.478 3.487 20 0 FGADHM Cc1ccccc1[C@@H](C)N(C)C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000737421173 598652883 /nfs/dbraw/zinc/65/28/83/598652883.db2.gz KKDHECUNEOTWFG-CQSZACIVSA-N -1 3 367.478 3.487 20 0 FGADHM CCOc1ccc(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)cc1F ZINC000736647230 598654808 /nfs/dbraw/zinc/65/48/08/598654808.db2.gz NNURFMDFXLXNFK-UHFFFAOYSA-N -1 3 373.413 3.135 20 0 FGADHM CCOc1ccc(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000736647230 598654810 /nfs/dbraw/zinc/65/48/10/598654810.db2.gz NNURFMDFXLXNFK-UHFFFAOYSA-N -1 3 373.413 3.135 20 0 FGADHM C[C@@H](c1ccco1)N(C(=O)CSc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000736203297 598654920 /nfs/dbraw/zinc/65/49/20/598654920.db2.gz LVYTWVVKJKLREN-LBPRGKRZSA-N -1 3 369.450 3.304 20 0 FGADHM C[C@@H](c1ccco1)N(C(=O)CSc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000736203297 598654923 /nfs/dbraw/zinc/65/49/23/598654923.db2.gz LVYTWVVKJKLREN-LBPRGKRZSA-N -1 3 369.450 3.304 20 0 FGADHM C[C@@H](CSc1ccccc1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736049149 598657617 /nfs/dbraw/zinc/65/76/17/598657617.db2.gz YPSNQHFSMQSIQZ-NSHDSACASA-N -1 3 357.414 3.373 20 0 FGADHM C[C@@H](CSc1ccccc1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736049149 598657620 /nfs/dbraw/zinc/65/76/20/598657620.db2.gz YPSNQHFSMQSIQZ-NSHDSACASA-N -1 3 357.414 3.373 20 0 FGADHM Clc1cc(NCc2ccc(OCC3CC3)nc2)ccc1-c1nnn[n-]1 ZINC000737567079 598668777 /nfs/dbraw/zinc/66/87/77/598668777.db2.gz XGMQKORASKLAQC-UHFFFAOYSA-N -1 3 356.817 3.316 20 0 FGADHM Clc1cc(NCc2ccc(OCC3CC3)nc2)ccc1-c1nn[n-]n1 ZINC000737567079 598668779 /nfs/dbraw/zinc/66/87/79/598668779.db2.gz XGMQKORASKLAQC-UHFFFAOYSA-N -1 3 356.817 3.316 20 0 FGADHM Fc1ccc(CN2CCn3cccc3[C@H]2c2ccccc2)c(-c2nnn[n-]2)c1 ZINC000737649560 598680753 /nfs/dbraw/zinc/68/07/53/598680753.db2.gz PJOMYYXRJXVLKN-HXUWFJFHSA-N -1 3 374.423 3.413 20 0 FGADHM Fc1ccc(CN2CCn3cccc3[C@H]2c2ccccc2)c(-c2nn[n-]n2)c1 ZINC000737649560 598680754 /nfs/dbraw/zinc/68/07/54/598680754.db2.gz PJOMYYXRJXVLKN-HXUWFJFHSA-N -1 3 374.423 3.413 20 0 FGADHM Cc1cc(N[C@@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)ccc1F ZINC000737273626 598694661 /nfs/dbraw/zinc/69/46/61/598694661.db2.gz HKGQZCZSDFMLLC-JTQLQIEISA-N -1 3 374.807 3.407 20 0 FGADHM Cc1cc(N[C@@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)ccc1F ZINC000737273626 598694663 /nfs/dbraw/zinc/69/46/63/598694663.db2.gz HKGQZCZSDFMLLC-JTQLQIEISA-N -1 3 374.807 3.407 20 0 FGADHM O=C(c1ccc(-c2nnn[n-]2)cc1)N1CCC(Cc2ccccc2F)CC1 ZINC000738255387 598699124 /nfs/dbraw/zinc/69/91/24/598699124.db2.gz RSYWAWOEBGJPRJ-UHFFFAOYSA-N -1 3 365.412 3.101 20 0 FGADHM O=C(c1ccc(-c2nn[n-]n2)cc1)N1CCC(Cc2ccccc2F)CC1 ZINC000738255387 598699125 /nfs/dbraw/zinc/69/91/25/598699125.db2.gz RSYWAWOEBGJPRJ-UHFFFAOYSA-N -1 3 365.412 3.101 20 0 FGADHM C[C@@H]1CO[C@@H](c2ccccc2)[C@H](C)N1Cc1ccc(-c2nnn[n-]2)cc1F ZINC000736295666 598706935 /nfs/dbraw/zinc/70/69/35/598706935.db2.gz WAPWIPUVQFXIDH-BIENJYKASA-N -1 3 367.428 3.356 20 0 FGADHM C[C@@H]1CO[C@@H](c2ccccc2)[C@H](C)N1Cc1ccc(-c2nn[n-]n2)cc1F ZINC000736295666 598706937 /nfs/dbraw/zinc/70/69/37/598706937.db2.gz WAPWIPUVQFXIDH-BIENJYKASA-N -1 3 367.428 3.356 20 0 FGADHM CCc1nc([C@H](C)NC(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000736701095 598715877 /nfs/dbraw/zinc/71/58/77/598715877.db2.gz ZATRRJAORJFQRR-QWRGUYRKSA-N -1 3 371.470 3.007 20 0 FGADHM CCc1nc([C@H](C)NC(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000736701095 598715879 /nfs/dbraw/zinc/71/58/79/598715879.db2.gz ZATRRJAORJFQRR-QWRGUYRKSA-N -1 3 371.470 3.007 20 0 FGADHM Cc1nc2c(s1)[C@H](N(C)C(=O)Nc1ccc(-c3nnn[n-]3)cc1)CCC2 ZINC000737487346 598716077 /nfs/dbraw/zinc/71/60/77/598716077.db2.gz HTRWEURWEBQXAU-CQSZACIVSA-N -1 3 369.454 3.173 20 0 FGADHM Cc1nc2c(s1)[C@H](N(C)C(=O)Nc1ccc(-c3nn[n-]n3)cc1)CCC2 ZINC000737487346 598716078 /nfs/dbraw/zinc/71/60/78/598716078.db2.gz HTRWEURWEBQXAU-CQSZACIVSA-N -1 3 369.454 3.173 20 0 FGADHM CC(=CC(=O)OCCOc1ccccc1-c1nnn[n-]1)c1cccc(F)c1 ZINC000735447540 598723965 /nfs/dbraw/zinc/72/39/65/598723965.db2.gz LBBLFLVOJCKDJY-QBFSEMIESA-N -1 3 368.368 3.031 20 0 FGADHM CC(=CC(=O)OCCOc1ccccc1-c1nn[n-]n1)c1cccc(F)c1 ZINC000735447540 598723967 /nfs/dbraw/zinc/72/39/67/598723967.db2.gz LBBLFLVOJCKDJY-QBFSEMIESA-N -1 3 368.368 3.031 20 0 FGADHM C[C@H](CSc1ccccc1)C(=O)OCc1cc(-c2nnn[n-]2)ccc1F ZINC000736047841 598724861 /nfs/dbraw/zinc/72/48/61/598724861.db2.gz SISOHWPFAVGIPI-GFCCVEGCSA-N -1 3 372.425 3.477 20 0 FGADHM C[C@H](CSc1ccccc1)C(=O)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000736047841 598724862 /nfs/dbraw/zinc/72/48/62/598724862.db2.gz SISOHWPFAVGIPI-GFCCVEGCSA-N -1 3 372.425 3.477 20 0 FGADHM C[C@H](Cc1ccccc1)C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000736059373 598740974 /nfs/dbraw/zinc/74/09/74/598740974.db2.gz RUKJJHAHRJVFRZ-OAHLLOKOSA-N -1 3 361.449 3.237 20 0 FGADHM C[C@H](Cc1ccccc1)C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000736059373 598740976 /nfs/dbraw/zinc/74/09/76/598740976.db2.gz RUKJJHAHRJVFRZ-OAHLLOKOSA-N -1 3 361.449 3.237 20 0 FGADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C[C@H]1CCc2ccccc2C1 ZINC000736821499 598741813 /nfs/dbraw/zinc/74/18/13/598741813.db2.gz XLILXAKTHXRNFJ-HNNXBMFYSA-N -1 3 361.449 3.020 20 0 FGADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C[C@H]1CCc2ccccc2C1 ZINC000736821499 598741814 /nfs/dbraw/zinc/74/18/14/598741814.db2.gz XLILXAKTHXRNFJ-HNNXBMFYSA-N -1 3 361.449 3.020 20 0 FGADHM Cc1ccccc1[C@@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000737420342 598757951 /nfs/dbraw/zinc/75/79/51/598757951.db2.gz IGWWISQIVGRULV-SFHVURJKSA-N -1 3 364.453 3.372 20 0 FGADHM Cc1ccccc1[C@@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000737420342 598757953 /nfs/dbraw/zinc/75/79/53/598757953.db2.gz IGWWISQIVGRULV-SFHVURJKSA-N -1 3 364.453 3.372 20 0 FGADHM C[C@H](Sc1ccccn1)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736194028 598762777 /nfs/dbraw/zinc/76/27/77/598762777.db2.gz WPTHJVRYEVJHRE-VIFPVBQESA-N -1 3 360.830 3.034 20 0 FGADHM C[C@H](Sc1ccccn1)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736194028 598762778 /nfs/dbraw/zinc/76/27/78/598762778.db2.gz WPTHJVRYEVJHRE-VIFPVBQESA-N -1 3 360.830 3.034 20 0 FGADHM CC[C@@H](Cc1ccccc1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC000736354569 598763068 /nfs/dbraw/zinc/76/30/68/598763068.db2.gz UNUTZEVXSGKJCL-AWEZNQCLSA-N -1 3 351.410 3.083 20 0 FGADHM CC[C@@H](Cc1ccccc1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC000736354569 598763070 /nfs/dbraw/zinc/76/30/70/598763070.db2.gz UNUTZEVXSGKJCL-AWEZNQCLSA-N -1 3 351.410 3.083 20 0 FGADHM Cc1ccccc1[C@@H](CC(C)C)NC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000737424722 598764792 /nfs/dbraw/zinc/76/47/92/598764792.db2.gz WWJVPKITAUGREE-QGZVFWFLSA-N -1 3 350.426 3.087 20 0 FGADHM Cc1ccccc1[C@@H](CC(C)C)NC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000737424722 598764793 /nfs/dbraw/zinc/76/47/93/598764793.db2.gz WWJVPKITAUGREE-QGZVFWFLSA-N -1 3 350.426 3.087 20 0 FGADHM CC1(C)C[C@H]1CNC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736210810 598768732 /nfs/dbraw/zinc/76/87/32/598768732.db2.gz IYVSUKRYGFIDNY-HNNXBMFYSA-N -1 3 363.421 3.435 20 0 FGADHM CC1(C)C[C@H]1CNC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736210810 598768734 /nfs/dbraw/zinc/76/87/34/598768734.db2.gz IYVSUKRYGFIDNY-HNNXBMFYSA-N -1 3 363.421 3.435 20 0 FGADHM Fc1cc(F)c2ncc(-c3nnn[n-]3)c(N3CCc4sccc4C3)c2c1 ZINC000737645261 598770775 /nfs/dbraw/zinc/77/07/75/598770775.db2.gz USTGYRVAOISEET-UHFFFAOYSA-N -1 3 370.388 3.317 20 0 FGADHM Fc1cc(F)c2ncc(-c3nn[n-]n3)c(N3CCc4sccc4C3)c2c1 ZINC000737645261 598770776 /nfs/dbraw/zinc/77/07/76/598770776.db2.gz USTGYRVAOISEET-UHFFFAOYSA-N -1 3 370.388 3.317 20 0 FGADHM COc1ccc(CNc2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)cc1 ZINC000737094911 598770865 /nfs/dbraw/zinc/77/08/65/598770865.db2.gz CUGLYNBHKAMWMV-UHFFFAOYSA-N -1 3 368.347 3.314 20 0 FGADHM COc1ccc(CNc2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)cc1 ZINC000737094911 598770866 /nfs/dbraw/zinc/77/08/66/598770866.db2.gz CUGLYNBHKAMWMV-UHFFFAOYSA-N -1 3 368.347 3.314 20 0 FGADHM CC(C)N(Cc1ccc(F)cc1)C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000735875081 598782958 /nfs/dbraw/zinc/78/29/58/598782958.db2.gz ZGFAVAQATRCDMF-UHFFFAOYSA-N -1 3 368.416 3.126 20 0 FGADHM CC(C)N(Cc1ccc(F)cc1)C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000735875081 598782960 /nfs/dbraw/zinc/78/29/60/598782960.db2.gz ZGFAVAQATRCDMF-UHFFFAOYSA-N -1 3 368.416 3.126 20 0 FGADHM Clc1ccc(NCc2ccc(Cn3cccn3)cc2)c(-c2nnn[n-]2)c1 ZINC000737576221 598793856 /nfs/dbraw/zinc/79/38/56/598793856.db2.gz YVNCTTLJGBLOQL-UHFFFAOYSA-N -1 3 365.828 3.377 20 0 FGADHM Clc1ccc(NCc2ccc(Cn3cccn3)cc2)c(-c2nn[n-]n2)c1 ZINC000737576221 598793858 /nfs/dbraw/zinc/79/38/58/598793858.db2.gz YVNCTTLJGBLOQL-UHFFFAOYSA-N -1 3 365.828 3.377 20 0 FGADHM Clc1ccc(NCc2ccc3c(c2)OCCCO3)c(-c2nnn[n-]2)c1 ZINC000737576222 598796360 /nfs/dbraw/zinc/79/63/60/598796360.db2.gz YVPJMNMPTJSZNC-UHFFFAOYSA-N -1 3 357.801 3.294 20 0 FGADHM Clc1ccc(NCc2ccc3c(c2)OCCCO3)c(-c2nn[n-]n2)c1 ZINC000737576222 598796362 /nfs/dbraw/zinc/79/63/62/598796362.db2.gz YVPJMNMPTJSZNC-UHFFFAOYSA-N -1 3 357.801 3.294 20 0 FGADHM c1ccc2oc(N3CCC(Oc4cccc(-c5nnn[n-]5)c4)CC3)nc2c1 ZINC000738419477 598798607 /nfs/dbraw/zinc/79/86/07/598798607.db2.gz NABJBJMWPNQLEE-UHFFFAOYSA-N -1 3 362.393 3.056 20 0 FGADHM c1ccc2oc(N3CCC(Oc4cccc(-c5nn[n-]n5)c4)CC3)nc2c1 ZINC000738419477 598798609 /nfs/dbraw/zinc/79/86/09/598798609.db2.gz NABJBJMWPNQLEE-UHFFFAOYSA-N -1 3 362.393 3.056 20 0 FGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)CO[C@@H]1CCCC[C@@H]1C ZINC000736273876 598802336 /nfs/dbraw/zinc/80/23/36/598802336.db2.gz SLYINXYGOVLFCM-MAUKXSAKSA-N -1 3 371.485 3.199 20 0 FGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)CO[C@@H]1CCCC[C@@H]1C ZINC000736273876 598802337 /nfs/dbraw/zinc/80/23/37/598802337.db2.gz SLYINXYGOVLFCM-MAUKXSAKSA-N -1 3 371.485 3.199 20 0 FGADHM CCCc1ccc(C(=O)Nc2ccnn2-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736496542 598807390 /nfs/dbraw/zinc/80/73/90/598807390.db2.gz FRUQVBYNLCUXTB-UHFFFAOYSA-N -1 3 373.420 3.257 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)N1Cc2ccccc2C1 ZINC000823303424 599292645 /nfs/dbraw/zinc/29/26/45/599292645.db2.gz IDVSGGWVFIOWPZ-UHFFFAOYSA-N -1 3 374.326 3.433 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)N1Cc2ccccc2C1 ZINC000823303424 599292647 /nfs/dbraw/zinc/29/26/47/599292647.db2.gz IDVSGGWVFIOWPZ-UHFFFAOYSA-N -1 3 374.326 3.433 20 0 FGADHM CC1CCN(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CC1 ZINC000820717978 599293904 /nfs/dbraw/zinc/29/39/04/599293904.db2.gz ZLRVFTOGXYTBEK-UHFFFAOYSA-N -1 3 354.336 3.149 20 0 FGADHM CC1CCN(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CC1 ZINC000820717978 599293906 /nfs/dbraw/zinc/29/39/06/599293906.db2.gz ZLRVFTOGXYTBEK-UHFFFAOYSA-N -1 3 354.336 3.149 20 0 FGADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H]1C[C@]12CCCc1ccccc12 ZINC000821608501 599313398 /nfs/dbraw/zinc/31/33/98/599313398.db2.gz KEHCTLQPTCUSCF-KNQAVFIVSA-N -1 3 373.460 3.119 20 0 FGADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H]1C[C@]12CCCc1ccccc12 ZINC000821608501 599313401 /nfs/dbraw/zinc/31/34/01/599313401.db2.gz KEHCTLQPTCUSCF-KNQAVFIVSA-N -1 3 373.460 3.119 20 0 FGADHM COc1cccc(-c2noc(N[C@H](C)c3ccc(-c4nn[n-]n4)cc3)n2)c1 ZINC000737121273 599323833 /nfs/dbraw/zinc/32/38/33/599323833.db2.gz MKGJBOTVMLRPPF-LLVKDONJSA-N -1 3 363.381 3.098 20 0 FGADHM CSCC(=O)N(Cc1ccccc1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000737179181 599339558 /nfs/dbraw/zinc/33/95/58/599339558.db2.gz IUQPOOZBLOCNBZ-UHFFFAOYSA-N -1 3 373.869 3.416 20 0 FGADHM CSCC(=O)N(Cc1ccccc1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000737179181 599339560 /nfs/dbraw/zinc/33/95/60/599339560.db2.gz IUQPOOZBLOCNBZ-UHFFFAOYSA-N -1 3 373.869 3.416 20 0 FGADHM C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000736236482 599343498 /nfs/dbraw/zinc/34/34/98/599343498.db2.gz JXABMSMFHZJCKB-XOKHGSTOSA-N -1 3 371.510 3.280 20 0 FGADHM C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000736236482 599343499 /nfs/dbraw/zinc/34/34/99/599343499.db2.gz JXABMSMFHZJCKB-XOKHGSTOSA-N -1 3 371.510 3.280 20 0 FGADHM O=c1[nH]c(CSc2ccccc2-c2nnn[n-]2)nc2cc(Cl)ccc12 ZINC000823656179 599346053 /nfs/dbraw/zinc/34/60/53/599346053.db2.gz AAHOQRZWCRDJMB-UHFFFAOYSA-N -1 3 370.825 3.461 20 0 FGADHM O=c1[nH]c(CSc2ccccc2-c2nn[n-]n2)nc2cc(Cl)ccc12 ZINC000823656179 599346054 /nfs/dbraw/zinc/34/60/54/599346054.db2.gz AAHOQRZWCRDJMB-UHFFFAOYSA-N -1 3 370.825 3.461 20 0 FGADHM CC(C)[C@@H](Sc1ccccc1-c1nnn[n-]1)C(=O)N1CCCC[C@@H]1C ZINC000820031190 599349211 /nfs/dbraw/zinc/34/92/11/599349211.db2.gz BJLQIVZJUHFJAD-XJKSGUPXSA-N -1 3 359.499 3.384 20 0 FGADHM CC(C)[C@@H](Sc1ccccc1-c1nn[n-]n1)C(=O)N1CCCC[C@@H]1C ZINC000820031190 599349215 /nfs/dbraw/zinc/34/92/15/599349215.db2.gz BJLQIVZJUHFJAD-XJKSGUPXSA-N -1 3 359.499 3.384 20 0 FGADHM COC[C@H](Nc1ncccc1-c1nnn[n-]1)c1cccc(C(F)(F)F)c1 ZINC000736979351 599349951 /nfs/dbraw/zinc/34/99/51/599349951.db2.gz UKACYXQYQLTPMQ-ZDUSSCGKSA-N -1 3 364.331 3.080 20 0 FGADHM COC[C@H](Nc1ncccc1-c1nn[n-]n1)c1cccc(C(F)(F)F)c1 ZINC000736979351 599349956 /nfs/dbraw/zinc/34/99/56/599349956.db2.gz UKACYXQYQLTPMQ-ZDUSSCGKSA-N -1 3 364.331 3.080 20 0 FGADHM C[C@H](Nc1ccc(OCC(F)(F)F)nc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820456963 599367091 /nfs/dbraw/zinc/36/70/91/599367091.db2.gz XVHQCJVQNDUAHP-JTQLQIEISA-N -1 3 364.331 3.376 20 0 FGADHM C[C@H](Nc1ccc(OCC(F)(F)F)nc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820456963 599367094 /nfs/dbraw/zinc/36/70/94/599367094.db2.gz XVHQCJVQNDUAHP-JTQLQIEISA-N -1 3 364.331 3.376 20 0 FGADHM COc1ccccc1CS[C@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000737152976 599370050 /nfs/dbraw/zinc/37/00/50/599370050.db2.gz PBYPAMDREKFQGG-GFCCVEGCSA-N -1 3 369.450 3.136 20 0 FGADHM COc1ccccc1CS[C@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000737152976 599370052 /nfs/dbraw/zinc/37/00/52/599370052.db2.gz PBYPAMDREKFQGG-GFCCVEGCSA-N -1 3 369.450 3.136 20 0 FGADHM COC(=O)N(C)c1ccc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821663898 599371776 /nfs/dbraw/zinc/37/17/76/599371776.db2.gz SPSSUNCHUIRCOX-GFCCVEGCSA-N -1 3 352.398 3.242 20 0 FGADHM COC(=O)N(C)c1ccc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821663898 599371779 /nfs/dbraw/zinc/37/17/79/599371779.db2.gz SPSSUNCHUIRCOX-GFCCVEGCSA-N -1 3 352.398 3.242 20 0 FGADHM O=C(Nc1cc(C2CCCCCC2)[nH]n1)c1sccc1-c1nnn[n-]1 ZINC000738146944 599390024 /nfs/dbraw/zinc/39/00/24/599390024.db2.gz USMMZVAXDHCFDE-UHFFFAOYSA-N -1 3 357.443 3.341 20 0 FGADHM O=C(Nc1cc(C2CCCCCC2)[nH]n1)c1sccc1-c1nn[n-]n1 ZINC000738146944 599390026 /nfs/dbraw/zinc/39/00/26/599390026.db2.gz USMMZVAXDHCFDE-UHFFFAOYSA-N -1 3 357.443 3.341 20 0 FGADHM Cc1ccc(N2CCOC2=O)cc1N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000822242660 599392394 /nfs/dbraw/zinc/39/23/94/599392394.db2.gz SPMLEAHYZKWNGL-ZDUSSCGKSA-N -1 3 364.409 3.305 20 0 FGADHM Cc1ccc(N2CCOC2=O)cc1N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000822242660 599392397 /nfs/dbraw/zinc/39/23/97/599392397.db2.gz SPMLEAHYZKWNGL-ZDUSSCGKSA-N -1 3 364.409 3.305 20 0 FGADHM CCOc1ccc([C@@H](C)NCc2ccc(-c3nnn[n-]3)o2)cc1OCC ZINC000821416776 599393477 /nfs/dbraw/zinc/39/34/77/599393477.db2.gz DJHCTDNXTNRLOM-GFCCVEGCSA-N -1 3 357.414 3.108 20 0 FGADHM Cc1ccccc1[C@H](C)CC(=O)OCC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826305611 607373490 /nfs/dbraw/zinc/37/34/90/607373490.db2.gz CVBOHWXPWIWQML-CQSZACIVSA-N -1 3 364.405 3.095 20 0 FGADHM Cc1ccccc1[C@H](C)CC(=O)OCC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826305611 607373492 /nfs/dbraw/zinc/37/34/92/607373492.db2.gz CVBOHWXPWIWQML-CQSZACIVSA-N -1 3 364.405 3.095 20 0 FGADHM C[C@H](NC(=O)NCCc1cccc(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820368221 599401287 /nfs/dbraw/zinc/40/12/87/599401287.db2.gz YCMZKAYAJFUQCS-LBPRGKRZSA-N -1 3 370.844 3.123 20 0 FGADHM C[C@H](NC(=O)NCCc1cccc(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820368221 599401288 /nfs/dbraw/zinc/40/12/88/599401288.db2.gz YCMZKAYAJFUQCS-LBPRGKRZSA-N -1 3 370.844 3.123 20 0 FGADHM C[C@H](C(=O)OCC(=O)c1ccc(-c2nnn[n-]2)cc1)c1cccc(Cl)c1 ZINC000824051846 607373888 /nfs/dbraw/zinc/37/38/88/607373888.db2.gz GJHQXSHGGHZSKY-NSHDSACASA-N -1 3 370.796 3.050 20 0 FGADHM C[C@H](C(=O)OCC(=O)c1ccc(-c2nn[n-]n2)cc1)c1cccc(Cl)c1 ZINC000824051846 607373889 /nfs/dbraw/zinc/37/38/89/607373889.db2.gz GJHQXSHGGHZSKY-NSHDSACASA-N -1 3 370.796 3.050 20 0 FGADHM c1cc(-c2nnn[n-]2)oc1CNCc1ccc(COc2ccccc2)cc1 ZINC000823791792 599405672 /nfs/dbraw/zinc/40/56/72/599405672.db2.gz IHBCVDAIWURTIB-UHFFFAOYSA-N -1 3 361.405 3.329 20 0 FGADHM Fc1ccc2c(c1)[C@@H](Nc1cc(-c3nnn[n-]3)c3ccccc3n1)CCO2 ZINC000737665871 599435025 /nfs/dbraw/zinc/43/50/25/599435025.db2.gz JWAUZHUQXPCFSC-INIZCTEOSA-N -1 3 362.368 3.490 20 0 FGADHM Fc1ccc2c(c1)[C@@H](Nc1cc(-c3nn[n-]n3)c3ccccc3n1)CCO2 ZINC000737665871 599435028 /nfs/dbraw/zinc/43/50/28/599435028.db2.gz JWAUZHUQXPCFSC-INIZCTEOSA-N -1 3 362.368 3.490 20 0 FGADHM Cc1ccc2c(c1)[C@H](NC(=O)N[C@@H](C)c1cccc(-c3nnn[n-]3)c1)CC2 ZINC000822275405 599437256 /nfs/dbraw/zinc/43/72/56/599437256.db2.gz UENKFEMDHLKZOJ-SCLBCKFNSA-N -1 3 362.437 3.223 20 0 FGADHM Cc1ccc2c(c1)[C@H](NC(=O)N[C@@H](C)c1cccc(-c3nn[n-]n3)c1)CC2 ZINC000822275405 599437259 /nfs/dbraw/zinc/43/72/59/599437259.db2.gz UENKFEMDHLKZOJ-SCLBCKFNSA-N -1 3 362.437 3.223 20 0 FGADHM Cc1ccc(CC[C@H](C)NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)o1 ZINC000822235210 599456691 /nfs/dbraw/zinc/45/66/91/599456691.db2.gz XNKGPBHHRLRUBJ-JSGCOSHPSA-N -1 3 368.441 3.150 20 0 FGADHM Cc1ccc(CC[C@H](C)NC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)o1 ZINC000822235210 599456693 /nfs/dbraw/zinc/45/66/93/599456693.db2.gz XNKGPBHHRLRUBJ-JSGCOSHPSA-N -1 3 368.441 3.150 20 0 FGADHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)N1CCCCC[C@H]1c1ccco1 ZINC000737894731 599471659 /nfs/dbraw/zinc/47/16/59/599471659.db2.gz JUOKPDZGXLVFIG-INIZCTEOSA-N -1 3 366.425 3.016 20 0 FGADHM CCOc1cccc(CNc2c(-c3nnn[n-]3)cnc3c(C)cccc32)c1 ZINC000821430894 599479626 /nfs/dbraw/zinc/47/96/26/599479626.db2.gz ICCPVQWMAQZMPL-UHFFFAOYSA-N -1 3 360.421 3.156 20 0 FGADHM CCOc1cccc(CNc2c(-c3nn[n-]n3)cnc3c(C)cccc32)c1 ZINC000821430894 599479627 /nfs/dbraw/zinc/47/96/27/599479627.db2.gz ICCPVQWMAQZMPL-UHFFFAOYSA-N -1 3 360.421 3.156 20 0 FGADHM COCc1cccc(CNc2c(-c3nnn[n-]3)cnc3c(C)cc(C)cc32)c1 ZINC000821695830 599480799 /nfs/dbraw/zinc/48/07/99/599480799.db2.gz JXIWQUOUZNTMMA-UHFFFAOYSA-N -1 3 374.448 3.212 20 0 FGADHM COCc1cccc(CNc2c(-c3nn[n-]n3)cnc3c(C)cc(C)cc32)c1 ZINC000821695830 599480802 /nfs/dbraw/zinc/48/08/02/599480802.db2.gz JXIWQUOUZNTMMA-UHFFFAOYSA-N -1 3 374.448 3.212 20 0 FGADHM CC(C)COC1CCN(c2c(-c3nnn[n-]3)cnc3ccccc32)CC1 ZINC000820097061 599487138 /nfs/dbraw/zinc/48/71/38/599487138.db2.gz JYFNZABHXZKPKO-UHFFFAOYSA-N -1 3 352.442 3.056 20 0 FGADHM CC(C)COC1CCN(c2c(-c3nn[n-]n3)cnc3ccccc32)CC1 ZINC000820097061 599487139 /nfs/dbraw/zinc/48/71/39/599487139.db2.gz JYFNZABHXZKPKO-UHFFFAOYSA-N -1 3 352.442 3.056 20 0 FGADHM C[C@@H](Nc1ccc(F)cc1-c1nnn[n-]1)c1ccc(N2CCCC2=O)cc1 ZINC000820455296 599497285 /nfs/dbraw/zinc/49/72/85/599497285.db2.gz GKIKZFDLLQRKJQ-GFCCVEGCSA-N -1 3 366.400 3.306 20 0 FGADHM C[C@@H](Nc1ccc(F)cc1-c1nn[n-]n1)c1ccc(N2CCCC2=O)cc1 ZINC000820455296 599497288 /nfs/dbraw/zinc/49/72/88/599497288.db2.gz GKIKZFDLLQRKJQ-GFCCVEGCSA-N -1 3 366.400 3.306 20 0 FGADHM COc1ccccc1C(C)=CC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821883128 599500819 /nfs/dbraw/zinc/50/08/19/599500819.db2.gz QMNSUAQQKAMAPL-YPDDLIOESA-N -1 3 363.421 3.156 20 0 FGADHM COc1ccccc1C(C)=CC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821883128 599500822 /nfs/dbraw/zinc/50/08/22/599500822.db2.gz QMNSUAQQKAMAPL-YPDDLIOESA-N -1 3 363.421 3.156 20 0 FGADHM C[C@H](Cc1cccc(F)c1)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820299813 599501071 /nfs/dbraw/zinc/50/10/71/599501071.db2.gz KVKPPEZPBJSRHY-CHWSQXEVSA-N -1 3 353.401 3.062 20 0 FGADHM C[C@H](Cc1cccc(F)c1)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820299813 599501073 /nfs/dbraw/zinc/50/10/73/599501073.db2.gz KVKPPEZPBJSRHY-CHWSQXEVSA-N -1 3 353.401 3.062 20 0 FGADHM C[C@@H](NC(=O)NC1(c2ccccc2F)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736110730 599501054 /nfs/dbraw/zinc/50/10/54/599501054.db2.gz BYJUVCBTDQIMRS-GFCCVEGCSA-N -1 3 366.400 3.055 20 0 FGADHM C[C@@H](NC(=O)NC1(c2ccccc2F)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736110730 599501057 /nfs/dbraw/zinc/50/10/57/599501057.db2.gz BYJUVCBTDQIMRS-GFCCVEGCSA-N -1 3 366.400 3.055 20 0 FGADHM C[C@H](NC(=O)c1ccccc1OC1CCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820396947 599502145 /nfs/dbraw/zinc/50/21/45/599502145.db2.gz JXOVVTZLPLBWSK-ZDUSSCGKSA-N -1 3 363.421 3.289 20 0 FGADHM C[C@H](NC(=O)c1ccccc1OC1CCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820396947 599502146 /nfs/dbraw/zinc/50/21/46/599502146.db2.gz JXOVVTZLPLBWSK-ZDUSSCGKSA-N -1 3 363.421 3.289 20 0 FGADHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(N3CCC[C@H](n4ccnc4)C3)c2c1 ZINC000822195557 599523494 /nfs/dbraw/zinc/52/34/94/599523494.db2.gz WFFWJWJMZLJLQZ-HNNXBMFYSA-N -1 3 374.452 3.070 20 0 FGADHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(N3CCC[C@H](n4ccnc4)C3)c2c1 ZINC000822195557 599523496 /nfs/dbraw/zinc/52/34/96/599523496.db2.gz WFFWJWJMZLJLQZ-HNNXBMFYSA-N -1 3 374.452 3.070 20 0 FGADHM Cc1ccc(-c2cc(C(=O)N[C@H](C)c3cccc(-c4nnn[n-]4)c3)[nH]n2)cc1 ZINC000822212690 599526933 /nfs/dbraw/zinc/52/69/33/599526933.db2.gz CHXHRSMYWBRJRK-CYBMUJFWSA-N -1 3 373.420 3.056 20 0 FGADHM Cc1ccc(-c2cc(C(=O)N[C@H](C)c3cccc(-c4nn[n-]n4)c3)[nH]n2)cc1 ZINC000822212690 599526937 /nfs/dbraw/zinc/52/69/37/599526937.db2.gz CHXHRSMYWBRJRK-CYBMUJFWSA-N -1 3 373.420 3.056 20 0 FGADHM C[C@@H](NC(=O)C=Cc1ccc2ccccc2n1)c1cccc(-c2nnn[n-]2)c1 ZINC000820321827 599530597 /nfs/dbraw/zinc/53/05/97/599530597.db2.gz MWHHLDVTHONVFM-XMXAVACDSA-N -1 3 370.416 3.306 20 0 FGADHM C[C@@H](NC(=O)C=Cc1ccc2ccccc2n1)c1cccc(-c2nn[n-]n2)c1 ZINC000820321827 599530599 /nfs/dbraw/zinc/53/05/99/599530599.db2.gz MWHHLDVTHONVFM-XMXAVACDSA-N -1 3 370.416 3.306 20 0 FGADHM C[C@@H]1c2ccc(F)cc2CCN1C(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000736302995 599536677 /nfs/dbraw/zinc/53/66/77/599536677.db2.gz REQWLOQOYWGTQX-LLVKDONJSA-N -1 3 368.441 3.322 20 0 FGADHM C[C@@H]1c2ccc(F)cc2CCN1C(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000736302995 599536678 /nfs/dbraw/zinc/53/66/78/599536678.db2.gz REQWLOQOYWGTQX-LLVKDONJSA-N -1 3 368.441 3.322 20 0 FGADHM C[C@@H](NC(=O)c1cc2ccc(Cl)cc2[nH]1)c1cccc(-c2nnn[n-]2)c1 ZINC000820390794 599536881 /nfs/dbraw/zinc/53/68/81/599536881.db2.gz KQNUVLNHVPWIRG-SNVBAGLBSA-N -1 3 366.812 3.492 20 0 FGADHM C[C@@H](NC(=O)c1cc2ccc(Cl)cc2[nH]1)c1cccc(-c2nn[n-]n2)c1 ZINC000820390794 599536883 /nfs/dbraw/zinc/53/68/83/599536883.db2.gz KQNUVLNHVPWIRG-SNVBAGLBSA-N -1 3 366.812 3.492 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@H](C)Cc1ccccc1F ZINC000736627119 599539543 /nfs/dbraw/zinc/53/95/43/599539543.db2.gz LNAFVLFHHXVGHL-GFCCVEGCSA-N -1 3 370.384 3.189 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@H](C)Cc1ccccc1F ZINC000736627119 599539544 /nfs/dbraw/zinc/53/95/44/599539544.db2.gz LNAFVLFHHXVGHL-GFCCVEGCSA-N -1 3 370.384 3.189 20 0 FGADHM CC(C)Cc1nc(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000820108735 599543261 /nfs/dbraw/zinc/54/32/61/599543261.db2.gz QFTFRXRKSJIPFX-NSHDSACASA-N -1 3 356.455 3.013 20 0 FGADHM CC(C)Cc1nc(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000820108735 599543263 /nfs/dbraw/zinc/54/32/63/599543263.db2.gz QFTFRXRKSJIPFX-NSHDSACASA-N -1 3 356.455 3.013 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H](C)Cc1ccccc1F ZINC000736636695 599544123 /nfs/dbraw/zinc/54/41/23/599544123.db2.gz QMLGHFFUOIAJND-GFCCVEGCSA-N -1 3 369.400 3.222 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H](C)Cc1ccccc1F ZINC000736636695 599544124 /nfs/dbraw/zinc/54/41/24/599544124.db2.gz QMLGHFFUOIAJND-GFCCVEGCSA-N -1 3 369.400 3.222 20 0 FGADHM C[C@@H]1CC[C@@H](C)N(C(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)C1 ZINC000820683814 599547082 /nfs/dbraw/zinc/54/70/82/599547082.db2.gz HNCSURKLBIRQEM-HUUCEWRRSA-N -1 3 357.458 3.063 20 0 FGADHM C[C@@H]1CC[C@@H](C)N(C(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)C1 ZINC000820683814 599547085 /nfs/dbraw/zinc/54/70/85/599547085.db2.gz HNCSURKLBIRQEM-HUUCEWRRSA-N -1 3 357.458 3.063 20 0 FGADHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2N1CC[C@H](c2ccco2)C1 ZINC000822204432 599550204 /nfs/dbraw/zinc/55/02/04/599550204.db2.gz ORKZDEOLGODDMI-LBPRGKRZSA-N -1 3 364.384 3.449 20 0 FGADHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2N1CC[C@H](c2ccco2)C1 ZINC000822204432 599550205 /nfs/dbraw/zinc/55/02/05/599550205.db2.gz ORKZDEOLGODDMI-LBPRGKRZSA-N -1 3 364.384 3.449 20 0 FGADHM C[C@@H](NC(=O)c1cc2ccccc2cc1[O-])c1cccc(-c2nn[nH]n2)c1 ZINC000820391135 599552614 /nfs/dbraw/zinc/55/26/14/599552614.db2.gz NLZGMEBQJIDJKG-GFCCVEGCSA-N -1 3 359.389 3.217 20 0 FGADHM Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)c2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000737327782 599558112 /nfs/dbraw/zinc/55/81/12/599558112.db2.gz ANYJIHNPJOCEPS-KSSFIOAISA-N -1 3 362.437 3.184 20 0 FGADHM Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000737327782 599558113 /nfs/dbraw/zinc/55/81/13/599558113.db2.gz ANYJIHNPJOCEPS-KSSFIOAISA-N -1 3 362.437 3.184 20 0 FGADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2NC[C@H](C)Oc1ccccc1 ZINC000822335362 599558596 /nfs/dbraw/zinc/55/85/96/599558596.db2.gz KCAQSVVITMHTLC-AWEZNQCLSA-N -1 3 360.421 3.025 20 0 FGADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2NC[C@H](C)Oc1ccccc1 ZINC000822335362 599558599 /nfs/dbraw/zinc/55/85/99/599558599.db2.gz KCAQSVVITMHTLC-AWEZNQCLSA-N -1 3 360.421 3.025 20 0 FGADHM Cc1ccc(C[C@@H](C)Nc2c(-c3nnn[n-]3)cnc3ccccc32)s1 ZINC000822234643 599564011 /nfs/dbraw/zinc/56/40/11/599564011.db2.gz CBQJSHOPAYPKOH-LLVKDONJSA-N -1 3 350.451 3.250 20 0 FGADHM Cc1ccc(C[C@@H](C)Nc2c(-c3nn[n-]n3)cnc3ccccc32)s1 ZINC000822234643 599564012 /nfs/dbraw/zinc/56/40/12/599564012.db2.gz CBQJSHOPAYPKOH-LLVKDONJSA-N -1 3 350.451 3.250 20 0 FGADHM C[C@H]1CN(Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)c2ccccc21 ZINC000820768060 599564368 /nfs/dbraw/zinc/56/43/68/599564368.db2.gz LJMMWXMIRMDUBN-LBPRGKRZSA-N -1 3 359.393 3.040 20 0 FGADHM C[C@H]1CN(Cc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)c2ccccc21 ZINC000820768060 599564370 /nfs/dbraw/zinc/56/43/70/599564370.db2.gz LJMMWXMIRMDUBN-LBPRGKRZSA-N -1 3 359.393 3.040 20 0 FGADHM Clc1ccc(-c2nnc(Sc3ccc(-c4nnn[n-]4)cn3)o2)s1 ZINC000822568225 599577739 /nfs/dbraw/zinc/57/77/39/599577739.db2.gz NQYBHHJOIWZOHM-UHFFFAOYSA-N -1 3 363.815 3.178 20 0 FGADHM Clc1ccc(-c2nnc(Sc3ccc(-c4nn[n-]n4)cn3)o2)s1 ZINC000822568225 599577741 /nfs/dbraw/zinc/57/77/41/599577741.db2.gz NQYBHHJOIWZOHM-UHFFFAOYSA-N -1 3 363.815 3.178 20 0 FGADHM COc1ccccc1[C@@]1(C)C[C@H]1Nc1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821883554 599583167 /nfs/dbraw/zinc/58/31/67/599583167.db2.gz XOFFEESLJOPPBL-CRAIPNDOSA-N -1 3 357.364 3.296 20 0 FGADHM COc1ccccc1[C@@]1(C)C[C@H]1Nc1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821883554 599583169 /nfs/dbraw/zinc/58/31/69/599583169.db2.gz XOFFEESLJOPPBL-CRAIPNDOSA-N -1 3 357.364 3.296 20 0 FGADHM O=C(CC/C=C/c1ccccc1)OCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000737826741 599606406 /nfs/dbraw/zinc/60/64/06/599606406.db2.gz UNWUVIQLNOJQRB-XBXARRHUSA-N -1 3 364.405 3.282 20 0 FGADHM O=C(OCc1cccnc1)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738232990 599607956 /nfs/dbraw/zinc/60/79/56/599607956.db2.gz CAWAJJBYFPENRL-UHFFFAOYSA-N -1 3 372.388 3.362 20 0 FGADHM Cc1ccc(-c2ocnc2C(=O)OCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822224171 599623021 /nfs/dbraw/zinc/62/30/21/599623021.db2.gz YPNPOVDZFGBCMD-UHFFFAOYSA-N -1 3 361.361 3.187 20 0 FGADHM Cc1ccc(-c2ocnc2C(=O)OCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822224171 599623022 /nfs/dbraw/zinc/62/30/22/599623022.db2.gz YPNPOVDZFGBCMD-UHFFFAOYSA-N -1 3 361.361 3.187 20 0 FGADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1)c1ccc(OC2CCC2)cc1 ZINC000823418893 599623362 /nfs/dbraw/zinc/62/33/62/599623362.db2.gz YNZSUDQEWKPRCG-UHFFFAOYSA-N -1 3 350.378 3.155 20 0 FGADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1)c1ccc(OC2CCC2)cc1 ZINC000823418893 599623363 /nfs/dbraw/zinc/62/33/63/599623363.db2.gz YNZSUDQEWKPRCG-UHFFFAOYSA-N -1 3 350.378 3.155 20 0 FGADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1)[C@H]1CCSc2ccccc21 ZINC000823417931 599623477 /nfs/dbraw/zinc/62/34/77/599623477.db2.gz LVURANMXRMEJAL-HNNXBMFYSA-N -1 3 352.419 3.190 20 0 FGADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1)[C@H]1CCSc2ccccc21 ZINC000823417931 599623478 /nfs/dbraw/zinc/62/34/78/599623478.db2.gz LVURANMXRMEJAL-HNNXBMFYSA-N -1 3 352.419 3.190 20 0 FGADHM Cc1cc(COC(=O)c2sccc2-c2nnn[n-]2)c2ccccc2n1 ZINC000822200888 599623955 /nfs/dbraw/zinc/62/39/55/599623955.db2.gz HCGQKRGYNWMGNC-UHFFFAOYSA-N -1 3 351.391 3.142 20 0 FGADHM O=C(OCCc1ccc(C(F)(F)F)cc1)c1sccc1-c1nnn[n-]1 ZINC000823409634 599625968 /nfs/dbraw/zinc/62/59/68/599625968.db2.gz JRPGIUQONHXDNP-UHFFFAOYSA-N -1 3 368.340 3.347 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)Oc1cccc2c1CCCC2=O ZINC000822935868 599626393 /nfs/dbraw/zinc/62/63/93/599626393.db2.gz PBJVJCLFHWPYMP-QXMHVHEDSA-N -1 3 360.373 3.005 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)Oc1cccc2c1CCCC2=O ZINC000822935868 599626394 /nfs/dbraw/zinc/62/63/94/599626394.db2.gz PBJVJCLFHWPYMP-QXMHVHEDSA-N -1 3 360.373 3.005 20 0 FGADHM COc1cccc([C@@H](C)OC(=O)CCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821858098 599627928 /nfs/dbraw/zinc/62/79/28/599627928.db2.gz DAKNTJXBUWQACU-CYBMUJFWSA-N -1 3 352.394 3.112 20 0 FGADHM COc1cccc([C@@H](C)OC(=O)CCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821858098 599627929 /nfs/dbraw/zinc/62/79/29/599627929.db2.gz DAKNTJXBUWQACU-CYBMUJFWSA-N -1 3 352.394 3.112 20 0 FGADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)[C@H]2SCCc3ccccc32)s1 ZINC000821465975 599630493 /nfs/dbraw/zinc/63/04/93/599630493.db2.gz SRHADIYYYHMFAN-AWEZNQCLSA-N -1 3 371.491 3.460 20 0 FGADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)[C@H]2SCCc3ccccc32)s1 ZINC000821465975 599630494 /nfs/dbraw/zinc/63/04/94/599630494.db2.gz SRHADIYYYHMFAN-AWEZNQCLSA-N -1 3 371.491 3.460 20 0 FGADHM O=C(Nc1sc(-c2ccccc2)cc1-c1nnn[n-]1)[C@H]1CCCS1 ZINC000823383677 599630828 /nfs/dbraw/zinc/63/08/28/599630828.db2.gz XMIMKEPYWYTMKI-GFCCVEGCSA-N -1 3 357.464 3.429 20 0 FGADHM O=C(Nc1sc(-c2ccccc2)cc1-c1nn[n-]n1)[C@H]1CCCS1 ZINC000823383677 599630829 /nfs/dbraw/zinc/63/08/29/599630829.db2.gz XMIMKEPYWYTMKI-GFCCVEGCSA-N -1 3 357.464 3.429 20 0 FGADHM C[C@H](CC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)n1cccc1 ZINC000820225169 599634423 /nfs/dbraw/zinc/63/44/23/599634423.db2.gz CEHLENFNPDDRLO-SNVBAGLBSA-N -1 3 364.331 3.277 20 0 FGADHM C[C@H](CC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)n1cccc1 ZINC000820225169 599634424 /nfs/dbraw/zinc/63/44/24/599634424.db2.gz CEHLENFNPDDRLO-SNVBAGLBSA-N -1 3 364.331 3.277 20 0 FGADHM O=C(OCc1ccon1)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000823440347 599660690 /nfs/dbraw/zinc/66/06/90/599660690.db2.gz OQVWYEGVFRUEEV-UHFFFAOYSA-N -1 3 363.333 3.004 20 0 FGADHM O=C(OCc1ccon1)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000823440347 599660691 /nfs/dbraw/zinc/66/06/91/599660691.db2.gz OQVWYEGVFRUEEV-UHFFFAOYSA-N -1 3 363.333 3.004 20 0 FGADHM C[C@H](NC(=O)NC12CC3CC(CC(C3)C1)C2)c1cccc(-c2nnn[n-]2)c1 ZINC000820358868 599664965 /nfs/dbraw/zinc/66/49/65/599664965.db2.gz PTDHLVVNUHGUOI-PGBBXINNSA-N -1 3 366.469 3.196 20 0 FGADHM C[C@H](NC(=O)NC12CC3CC(CC(C3)C1)C2)c1cccc(-c2nn[n-]n2)c1 ZINC000820358868 599664966 /nfs/dbraw/zinc/66/49/66/599664966.db2.gz PTDHLVVNUHGUOI-PGBBXINNSA-N -1 3 366.469 3.196 20 0 FGADHM C[C@H](CCc1cccc(F)c1)C(=O)OCc1cc(-c2nnn[n-]2)ccc1F ZINC000820253989 599669733 /nfs/dbraw/zinc/66/97/33/599669733.db2.gz LMAPDACTZJYEGG-GFCCVEGCSA-N -1 3 372.375 3.457 20 0 FGADHM C[C@H](CCc1cccc(F)c1)C(=O)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000820253989 599669734 /nfs/dbraw/zinc/66/97/34/599669734.db2.gz LMAPDACTZJYEGG-GFCCVEGCSA-N -1 3 372.375 3.457 20 0 FGADHM CSc1ccc(F)cc1CNc1c(-c2nnn[n-]2)cnc2ccccc21 ZINC000821983677 599686962 /nfs/dbraw/zinc/68/69/62/599686962.db2.gz IPZRUBNNOVXJKF-UHFFFAOYSA-N -1 3 366.425 3.310 20 0 FGADHM CSc1ccc(F)cc1CNc1c(-c2nn[n-]n2)cnc2ccccc21 ZINC000821983677 599686963 /nfs/dbraw/zinc/68/69/63/599686963.db2.gz IPZRUBNNOVXJKF-UHFFFAOYSA-N -1 3 366.425 3.310 20 0 FGADHM CCC(CC)(CCO)CNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820887833 599688388 /nfs/dbraw/zinc/68/83/88/599688388.db2.gz TXORGABVJGDLKF-UHFFFAOYSA-N -1 3 357.380 3.486 20 0 FGADHM CCC(CC)(CCO)CNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820887833 599688389 /nfs/dbraw/zinc/68/83/89/599688389.db2.gz TXORGABVJGDLKF-UHFFFAOYSA-N -1 3 357.380 3.486 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)c1cccc2cnccc21 ZINC000821390449 599689877 /nfs/dbraw/zinc/68/98/77/599689877.db2.gz XUOGHHUFJUUESF-UHFFFAOYSA-N -1 3 361.361 3.033 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)c1cccc2cnccc21 ZINC000821390449 599689878 /nfs/dbraw/zinc/68/98/78/599689878.db2.gz XUOGHHUFJUUESF-UHFFFAOYSA-N -1 3 361.361 3.033 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NCc1ncc(-c2ccccc2C)o1 ZINC000821765419 599691685 /nfs/dbraw/zinc/69/16/85/599691685.db2.gz CPUFPQABFXAJKV-UHFFFAOYSA-N -1 3 362.393 3.451 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NCc1ncc(-c2ccccc2C)o1 ZINC000821765419 599691686 /nfs/dbraw/zinc/69/16/86/599691686.db2.gz CPUFPQABFXAJKV-UHFFFAOYSA-N -1 3 362.393 3.451 20 0 FGADHM Cc1nc(C)c(C(=O)Oc2ccc(-c3ccc(-c4nnn[n-]4)cc3)cc2)o1 ZINC000822427586 599695922 /nfs/dbraw/zinc/69/59/22/599695922.db2.gz PPDZYYJIQIQCHC-UHFFFAOYSA-N -1 3 361.361 3.358 20 0 FGADHM Cc1nc(C)c(C(=O)Oc2ccc(-c3ccc(-c4nn[n-]n4)cc3)cc2)o1 ZINC000822427586 599695923 /nfs/dbraw/zinc/69/59/23/599695923.db2.gz PPDZYYJIQIQCHC-UHFFFAOYSA-N -1 3 361.361 3.358 20 0 FGADHM CCCCCC(=O)NC1CCN([C@@H](C(=O)[O-])c2ccc(F)cc2)CC1 ZINC000736984198 599714465 /nfs/dbraw/zinc/71/44/65/599714465.db2.gz JWEKNXUUDRUPMU-GOSISDBHSA-N -1 3 350.434 3.112 20 0 FGADHM Cc1ccc(C(=O)[C@H](C)OC(=O)c2ccc(-c3nnn[n-]3)cc2C)cc1C ZINC000826281526 607388638 /nfs/dbraw/zinc/38/86/38/607388638.db2.gz XCEFSZIGCFYHIO-AWEZNQCLSA-N -1 3 364.405 3.220 20 0 FGADHM Cc1ccc(C(=O)[C@H](C)OC(=O)c2ccc(-c3nn[n-]n3)cc2C)cc1C ZINC000826281526 607388640 /nfs/dbraw/zinc/38/86/40/607388640.db2.gz XCEFSZIGCFYHIO-AWEZNQCLSA-N -1 3 364.405 3.220 20 0 FGADHM CN(C(=O)OC(C)(C)C)[C@H]1CCCN([C@@H](C(=O)[O-])c2ccc(F)cc2)C1 ZINC000737336240 599720335 /nfs/dbraw/zinc/72/03/35/599720335.db2.gz NVKYCDDJNQTEIT-JKSUJKDBSA-N -1 3 366.433 3.283 20 0 FGADHM O=C([O-])[C@H](NCc1cccc(C(=O)NCc2ccco2)c1)c1ccccc1 ZINC000738501614 599787494 /nfs/dbraw/zinc/78/74/94/599787494.db2.gz XPGFKASOVYAHHM-LJQANCHMSA-N -1 3 364.401 3.125 20 0 FGADHM CCCN(Cc1ccc(C(=O)[O-])o1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000737020074 599794485 /nfs/dbraw/zinc/79/44/85/599794485.db2.gz PIQGTKIHVPTUKF-CYBMUJFWSA-N -1 3 352.431 3.199 20 0 FGADHM CC(=O)Nc1cccc([C@H](C)OC(=O)c2ccc(-c3nnn[n-]3)cc2C)c1 ZINC000824005145 607398882 /nfs/dbraw/zinc/39/88/82/607398882.db2.gz LHCMZSIIPZYEPO-LBPRGKRZSA-N -1 3 365.393 3.052 20 0 FGADHM CC(=O)Nc1cccc([C@H](C)OC(=O)c2ccc(-c3nn[n-]n3)cc2C)c1 ZINC000824005145 607398883 /nfs/dbraw/zinc/39/88/83/607398883.db2.gz LHCMZSIIPZYEPO-LBPRGKRZSA-N -1 3 365.393 3.052 20 0 FGADHM CCCOc1ccc(CN[C@@H]2CCCN(C(=O)[O-])C2)c(OCCC)c1 ZINC000737031859 599859715 /nfs/dbraw/zinc/85/97/15/599859715.db2.gz RXMNRTRXSJMOPE-MRXNPFEDSA-N -1 3 350.459 3.496 20 0 FGADHM CC[C@H](NC(=O)CN(C[C@@H](C)C(=O)[O-])C1CC1)c1ccc(Cl)cc1 ZINC000736910856 599948981 /nfs/dbraw/zinc/94/89/81/599948981.db2.gz OOPHXAZAALSXCN-WBMJQRKESA-N -1 3 352.862 3.092 20 0 FGADHM C[C@@H](NC(=O)CN(C[C@H](C)C(=O)[O-])C1CC1)c1ccc2ccccc2c1 ZINC000736577339 599950929 /nfs/dbraw/zinc/95/09/29/599950929.db2.gz ANTXCTQAELZYFL-LSDHHAIUSA-N -1 3 354.450 3.202 20 0 FGADHM C[C@H](c1ccc(C(=O)[O-])o1)N(C)C[C@H](c1cccs1)N1CCOCC1 ZINC000736713347 599966965 /nfs/dbraw/zinc/96/69/65/599966965.db2.gz BBNNFYICCUNMDD-ZIAGYGMSSA-N -1 3 364.467 3.106 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)CCCOc1cccc(F)c1 ZINC000826253040 607409652 /nfs/dbraw/zinc/40/96/52/607409652.db2.gz DFCLRPMQQKTHET-UHFFFAOYSA-N -1 3 370.384 3.217 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)CCCOc1cccc(F)c1 ZINC000826253040 607409653 /nfs/dbraw/zinc/40/96/53/607409653.db2.gz DFCLRPMQQKTHET-UHFFFAOYSA-N -1 3 370.384 3.217 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)c1c(F)c(F)cc(F)c1F ZINC000826254215 607410334 /nfs/dbraw/zinc/41/03/34/607410334.db2.gz ZXIASINHOWIJKK-UHFFFAOYSA-N -1 3 366.274 3.089 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)c1c(F)c(F)cc(F)c1F ZINC000826254215 607410335 /nfs/dbraw/zinc/41/03/35/607410335.db2.gz ZXIASINHOWIJKK-UHFFFAOYSA-N -1 3 366.274 3.089 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)CCCOc1ccccc1F ZINC000826253365 607411386 /nfs/dbraw/zinc/41/13/86/607411386.db2.gz NEMNIBYAWSHEDU-UHFFFAOYSA-N -1 3 370.384 3.217 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)CCCOc1ccccc1F ZINC000826253365 607411388 /nfs/dbraw/zinc/41/13/88/607411388.db2.gz NEMNIBYAWSHEDU-UHFFFAOYSA-N -1 3 370.384 3.217 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)[C@H](C)Cc1ccc(F)cc1 ZINC000826252368 607412958 /nfs/dbraw/zinc/41/29/58/607412958.db2.gz AMYVDQLDILKRQW-CYBMUJFWSA-N -1 3 354.385 3.236 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)[C@H](C)Cc1ccc(F)cc1 ZINC000826252368 607412961 /nfs/dbraw/zinc/41/29/61/607412961.db2.gz AMYVDQLDILKRQW-CYBMUJFWSA-N -1 3 354.385 3.236 20 0 FGADHM Cc1cscc1NC(=O)CSc1nc(C)c(C)c(C)c1-c1nnn[n-]1 ZINC000826320953 607414924 /nfs/dbraw/zinc/41/49/24/607414924.db2.gz LRTKNHOLWKZCLU-UHFFFAOYSA-N -1 3 374.495 3.288 20 0 FGADHM Cc1cscc1NC(=O)CSc1nc(C)c(C)c(C)c1-c1nn[n-]n1 ZINC000826320953 607414926 /nfs/dbraw/zinc/41/49/26/607414926.db2.gz LRTKNHOLWKZCLU-UHFFFAOYSA-N -1 3 374.495 3.288 20 0 FGADHM CC(C)(C)c1nc(C(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)cs1 ZINC000824142044 607415380 /nfs/dbraw/zinc/41/53/80/607415380.db2.gz RJKRFIDXULLECI-UHFFFAOYSA-N -1 3 368.466 3.040 20 0 FGADHM CC(C)(C)c1nc(C(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)cs1 ZINC000824142044 607415381 /nfs/dbraw/zinc/41/53/81/607415381.db2.gz RJKRFIDXULLECI-UHFFFAOYSA-N -1 3 368.466 3.040 20 0 FGADHM CC(C)Cc1ccc([C@H](NCC(=O)N2CCC(C(=O)[O-])CC2)C(C)C)cc1 ZINC000736454223 600085743 /nfs/dbraw/zinc/08/57/43/600085743.db2.gz SDAYOLSIIDCVKO-OAQYLSRUSA-N -1 3 374.525 3.495 20 0 FGADHM CCC[C@H](C)NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2C(=O)[O-])C1 ZINC000736969937 600090396 /nfs/dbraw/zinc/09/03/96/600090396.db2.gz JOXNIVKPAMHTRD-DZGCQCFKSA-N -1 3 350.434 3.041 20 0 FGADHM CC(C)Oc1ccc(NC(=O)N2CCCCCCC2)cc1-c1nnn[n-]1 ZINC000820165951 607429133 /nfs/dbraw/zinc/42/91/33/607429133.db2.gz SQSJSAVJVYOQTD-UHFFFAOYSA-N -1 3 358.446 3.452 20 0 FGADHM CC(C)Oc1ccc(NC(=O)N2CCCCCCC2)cc1-c1nn[n-]n1 ZINC000820165951 607429134 /nfs/dbraw/zinc/42/91/34/607429134.db2.gz SQSJSAVJVYOQTD-UHFFFAOYSA-N -1 3 358.446 3.452 20 0 FGADHM CC(C)Oc1ccc(NC(=O)N2CCC[C@@H]3CCC[C@@H]32)cc1-c1nnn[n-]1 ZINC000820164051 607431821 /nfs/dbraw/zinc/43/18/21/607431821.db2.gz BKXPYMRZCGNYBH-BBRMVZONSA-N -1 3 370.457 3.450 20 0 FGADHM CC(C)Oc1ccc(NC(=O)N2CCC[C@@H]3CCC[C@@H]32)cc1-c1nn[n-]n1 ZINC000820164051 607431822 /nfs/dbraw/zinc/43/18/22/607431822.db2.gz BKXPYMRZCGNYBH-BBRMVZONSA-N -1 3 370.457 3.450 20 0 FGADHM O=C([O-])/C=C1\SCC(=O)N1CCCN1CCCCC[C@H]1c1ccco1 ZINC000739625226 600263365 /nfs/dbraw/zinc/26/33/65/600263365.db2.gz NQECRQGEKKFCNT-VMOJBDSFSA-N -1 3 364.467 3.088 20 0 FGADHM CCc1ccc([C@H](C)NC(=O)[C@H](C)N2CCC3(C[C@@H]3C(=O)[O-])CC2)cc1 ZINC000737257911 600292773 /nfs/dbraw/zinc/29/27/73/600292773.db2.gz SJXRTHGXOHNGFC-RLFYNMQTSA-N -1 3 358.482 3.001 20 0 FGADHM C[C@H](NC(=O)[C@H](C)N1CCC2(C[C@H]2C(=O)[O-])CC1)c1ccc(Cl)cc1 ZINC000736632176 600302776 /nfs/dbraw/zinc/30/27/76/600302776.db2.gz CRKACYWKDPDJSJ-XEZPLFJOSA-N -1 3 364.873 3.092 20 0 FGADHM Cc1cc(CNC2(CNC(=O)OC(C)(C)C)CCCC2)oc1C(=O)[O-] ZINC000738388499 600334198 /nfs/dbraw/zinc/33/41/98/600334198.db2.gz IZBNSSBSRRNNAE-UHFFFAOYSA-N -1 3 352.431 3.213 20 0 FGADHM COc1ccc(CN(C)C)cc1NC(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000737993928 600335758 /nfs/dbraw/zinc/33/57/58/600335758.db2.gz CBMVAJLNLAAMMI-UHFFFAOYSA-N -1 3 372.425 3.168 20 0 FGADHM CC(C)N(CCC(=O)[O-])CC(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000736639592 600395179 /nfs/dbraw/zinc/39/51/79/600395179.db2.gz BJYGFAMGBIOHEY-LLVKDONJSA-N -1 3 361.269 3.356 20 0 FGADHM C[C@H](C(=O)Nc1cccc(CSCC(=O)[O-])c1)N1CCCCCC1 ZINC000736217369 600408868 /nfs/dbraw/zinc/40/88/68/600408868.db2.gz BKHPTTYCYTXUKH-CQSZACIVSA-N -1 3 350.484 3.207 20 0 FGADHM O=C([O-])CCN(Cc1cc(Cl)ccc1OC(F)F)C[C@@H]1CCCO1 ZINC000652480131 600509245 /nfs/dbraw/zinc/50/92/45/600509245.db2.gz JRCGPGQAMCCIEQ-ZDUSSCGKSA-N -1 3 363.788 3.397 20 0 FGADHM O=C([O-])c1ccc(CNC(=O)N[C@@H](CN2CCCCC2)c2ccccc2)o1 ZINC000739437459 600566655 /nfs/dbraw/zinc/56/66/55/600566655.db2.gz JTPIPOADWKJZFY-KRWDZBQOSA-N -1 3 371.437 3.004 20 0 FGADHM C[C@H](CN(Cc1ccccc1)Cn1nccc1-c1cccnc1)C(=O)[O-] ZINC000736582218 600685264 /nfs/dbraw/zinc/68/52/64/600685264.db2.gz MBJXUGVWWBPEFJ-MRXNPFEDSA-N -1 3 350.422 3.126 20 0 FGADHM CC1(C)CCCC[C@H]1NC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000824802061 607459591 /nfs/dbraw/zinc/45/95/91/607459591.db2.gz KYXWTSJGKCVKCF-OAHLLOKOSA-N -1 3 354.458 3.124 20 0 FGADHM CC1(C)CCCC[C@H]1NC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000824802061 607459592 /nfs/dbraw/zinc/45/95/92/607459592.db2.gz KYXWTSJGKCVKCF-OAHLLOKOSA-N -1 3 354.458 3.124 20 0 FGADHM CCCN(Cn1nc(C(=O)[O-])c(Cl)c1C)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000737021561 600706072 /nfs/dbraw/zinc/70/60/72/600706072.db2.gz WXYQSMYRGUKGML-DFBGVHRSSA-N -1 3 355.866 3.026 20 0 FGADHM C[C@@H]1CN(Cc2ccc(F)cc2C(=O)[O-])CC[C@@H]1NC(=O)OC(C)(C)C ZINC000736812526 600715237 /nfs/dbraw/zinc/71/52/37/600715237.db2.gz BCFPWEGGHXKFLI-WBMJQRKESA-N -1 3 366.433 3.259 20 0 FGADHM O=C([O-])[C@@H](N[C@@H]1CCN(c2ccc(F)cc2F)C1)c1ccccc1F ZINC000833167637 600748086 /nfs/dbraw/zinc/74/80/86/600748086.db2.gz OPQDHDHUVISQRV-PXAZEXFGSA-N -1 3 350.340 3.098 20 0 FGADHM CC1CCN([C@H](CNC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)c2ccccc2)CC1 ZINC000828285553 600905675 /nfs/dbraw/zinc/90/56/75/600905675.db2.gz NBSKPTURIVMBLN-VAMGGRTRSA-N -1 3 372.509 3.467 20 0 FGADHM Cn1cc(C[C@H]2CCN([C@@H](C(=O)[O-])c3ccc(Cl)cc3Cl)C2)cn1 ZINC000833043757 601118443 /nfs/dbraw/zinc/11/84/43/601118443.db2.gz HGGNIYCJTPFGTD-BDJLRTHQSA-N -1 3 368.264 3.417 20 0 FGADHM Cc1ccc2cc(C(=O)N[C@@H](C)c3ccc(-c4nnn[n-]4)cc3)ccc2n1 ZINC000822279897 607499783 /nfs/dbraw/zinc/49/97/83/607499783.db2.gz FNLWKPMSIFJEHE-ZDUSSCGKSA-N -1 3 358.405 3.214 20 0 FGADHM Cc1ccc2cc(C(=O)N[C@@H](C)c3ccc(-c4nn[n-]n4)cc3)ccc2n1 ZINC000822279897 607499785 /nfs/dbraw/zinc/49/97/85/607499785.db2.gz FNLWKPMSIFJEHE-ZDUSSCGKSA-N -1 3 358.405 3.214 20 0 FGADHM CCC(CC)(CC(=O)[O-])NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000828777008 601307988 /nfs/dbraw/zinc/30/79/88/601307988.db2.gz YYKXGHJKAYTQKE-MRXNPFEDSA-N -1 3 364.461 3.187 20 0 FGADHM C[C@@H](CSCc1ccccc1)C(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000820292357 607501552 /nfs/dbraw/zinc/50/15/52/607501552.db2.gz DKKZKJZOFZYKKA-LBPRGKRZSA-N -1 3 372.425 3.481 20 0 FGADHM C[C@@H](CSCc1ccccc1)C(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000820292357 607501553 /nfs/dbraw/zinc/50/15/53/607501553.db2.gz DKKZKJZOFZYKKA-LBPRGKRZSA-N -1 3 372.425 3.481 20 0 FGADHM CC(C)c1ncc(C(=O)OCCCOc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000820206652 607505282 /nfs/dbraw/zinc/50/52/82/607505282.db2.gz UKOUVTIEZXYFBS-UHFFFAOYSA-N -1 3 373.438 3.073 20 0 FGADHM CCc1oc(C(=O)[O-])cc1CN1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC000830363657 601413366 /nfs/dbraw/zinc/41/33/66/601413366.db2.gz WTOHDWVNXOLYKI-CQSZACIVSA-N -1 3 362.470 3.011 20 0 FGADHM COc1cccc(NC(=O)[C@H](c2ccccc2)N2C[C@H](C(=O)[O-])[C@H](C)C2)c1 ZINC000832561931 601538332 /nfs/dbraw/zinc/53/83/32/601538332.db2.gz GMOROEYTYIARAE-CCKFTAQKSA-N -1 3 368.433 3.028 20 0 FGADHM COc1ccc(CN[C@@H](c2ccccc2)C(F)(F)F)cc1-c1nnn[n-]1 ZINC000826201806 607520242 /nfs/dbraw/zinc/52/02/42/607520242.db2.gz DZTYOFNRTDWGJV-HNNXBMFYSA-N -1 3 363.343 3.269 20 0 FGADHM COc1ccc(CN[C@@H](c2ccccc2)C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826201806 607520244 /nfs/dbraw/zinc/52/02/44/607520244.db2.gz DZTYOFNRTDWGJV-HNNXBMFYSA-N -1 3 363.343 3.269 20 0 FGADHM O=C([O-])c1sccc1CN1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000833348005 601809923 /nfs/dbraw/zinc/80/99/23/601809923.db2.gz ZNAGEBUFVYQPKY-UHFFFAOYSA-N -1 3 370.474 3.248 20 0 FGADHM C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)N1CCC(CCC(=O)[O-])CC1 ZINC000662218107 601839782 /nfs/dbraw/zinc/83/97/82/601839782.db2.gz LUAPPIFUHSEDOX-UONOGXRCSA-N -1 3 366.889 3.483 20 0 FGADHM CC1CCC(N(C(=O)CN2CCC(CCC(=O)[O-])CC2)C2CC2)CC1 ZINC000662218696 601842149 /nfs/dbraw/zinc/84/21/49/601842149.db2.gz RVCDNSOPPDRXNU-UHFFFAOYSA-N -1 3 350.503 3.133 20 0 FGADHM O=C([O-])CCC1CCN([C@H](C(=O)N2CCCCC2)c2ccccc2)CC1 ZINC000662218676 601842235 /nfs/dbraw/zinc/84/22/35/601842235.db2.gz RGJHECCXQYTWPG-FQEVSTJZSA-N -1 3 358.482 3.317 20 0 FGADHM COc1cccc(-c2nc(CN[C@@H](C(=O)[O-])C(C)(C)C)cs2)c1OC ZINC000832514711 601874593 /nfs/dbraw/zinc/87/45/93/601874593.db2.gz JEAWHIBPUMSNLR-HNNXBMFYSA-N -1 3 364.467 3.416 20 0 FGADHM Cc1nc(-c2ccc(Cl)c(Cl)c2)n(CN2CC[C@](C)(C(=O)[O-])C2)n1 ZINC000832991404 601892833 /nfs/dbraw/zinc/89/28/33/601892833.db2.gz QQDYWSKTJGIKSE-INIZCTEOSA-N -1 3 369.252 3.314 20 0 FGADHM CN(C)c1cccc(CN(C)[C@@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)c1 ZINC000830643067 601906322 /nfs/dbraw/zinc/90/63/22/601906322.db2.gz BMZRFKRFXSZFMX-QGZVFWFLSA-N -1 3 352.356 3.428 20 0 FGADHM COCc1cccc(CSCCOc2ccccc2-c2nnn[n-]2)c1 ZINC000826164792 607533762 /nfs/dbraw/zinc/53/37/62/607533762.db2.gz QIPQNBVJQUKVTO-UHFFFAOYSA-N -1 3 356.451 3.325 20 0 FGADHM COCc1cccc(CSCCOc2ccccc2-c2nn[n-]n2)c1 ZINC000826164792 607533764 /nfs/dbraw/zinc/53/37/64/607533764.db2.gz QIPQNBVJQUKVTO-UHFFFAOYSA-N -1 3 356.451 3.325 20 0 FGADHM C[C@H](CN(CC(=O)N[C@@H](c1ccccc1)C1CCCC1)C1CC1)C(=O)[O-] ZINC000827449461 601917700 /nfs/dbraw/zinc/91/77/00/601917700.db2.gz KRBMNLCISKBLIK-QRWLVFNGSA-N -1 3 358.482 3.219 20 0 FGADHM C[C@H]1C[C@@H](NC(=O)Nc2ccc(CC(=O)[O-])cc2)CN1Cc1ccccc1 ZINC000398055499 601930098 /nfs/dbraw/zinc/93/00/98/601930098.db2.gz VGXVIXRKROONJL-HNAYVOBHSA-N -1 3 367.449 3.098 20 0 FGADHM COC(=O)c1sc2cccc(F)c2c1CN1CC[C@@](C)(C(=O)[O-])C1 ZINC000831478644 601941023 /nfs/dbraw/zinc/94/10/23/601941023.db2.gz CEJYKNINMFNJEM-QGZVFWFLSA-N -1 3 351.399 3.124 20 0 FGADHM COc1ccc(CSCc2cccc3nsnc32)cc1-c1nnn[n-]1 ZINC000826207801 607535564 /nfs/dbraw/zinc/53/55/64/607535564.db2.gz DWHIPAKGDQMKLX-UHFFFAOYSA-N -1 3 370.463 3.313 20 0 FGADHM COc1ccc(CSCc2cccc3nsnc32)cc1-c1nn[n-]n1 ZINC000826207801 607535566 /nfs/dbraw/zinc/53/55/66/607535566.db2.gz DWHIPAKGDQMKLX-UHFFFAOYSA-N -1 3 370.463 3.313 20 0 FGADHM C[C@H]1CN(Cc2ccc(C(=O)[O-])s2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000828455758 601957367 /nfs/dbraw/zinc/95/73/67/601957367.db2.gz GJFQGJKACNLVJX-AAEUAGOBSA-N -1 3 354.472 3.181 20 0 FGADHM CN(C[C@H]1CCCN1Cc1ccc(C(=O)[O-])s1)C(=O)OC(C)(C)C ZINC000830718201 601960256 /nfs/dbraw/zinc/96/02/56/601960256.db2.gz NYCBABLYSDKFBU-GFCCVEGCSA-N -1 3 354.472 3.278 20 0 FGADHM C[C@@H]1CCCN(CCNC(=O)c2cc(NC(=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000828266350 601980099 /nfs/dbraw/zinc/98/00/99/601980099.db2.gz UGYDUMOLXGAGAP-LLVKDONJSA-N -1 3 373.375 3.257 20 0 FGADHM Cc1cccc(S(=O)(=O)N(C)c2ccc(C(C)C)cc2)c1-c1nnn[n-]1 ZINC000826301213 607537970 /nfs/dbraw/zinc/53/79/70/607537970.db2.gz XGLKHPVQMRTEOO-UHFFFAOYSA-N -1 3 371.466 3.124 20 0 FGADHM Cc1cccc(S(=O)(=O)N(C)c2ccc(C(C)C)cc2)c1-c1nn[n-]n1 ZINC000826301213 607537972 /nfs/dbraw/zinc/53/79/72/607537972.db2.gz XGLKHPVQMRTEOO-UHFFFAOYSA-N -1 3 371.466 3.124 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1CSc1ccc(C(C)=O)cc1OC ZINC000826184983 607539129 /nfs/dbraw/zinc/53/91/29/607539129.db2.gz UCSIPTALXYHGBT-UHFFFAOYSA-N -1 3 370.434 3.379 20 0 FGADHM CCOc1ccc(CN[C@@H](C(=O)[O-])c2cc(OC)cc(OC)c2)cc1F ZINC000830075452 602171362 /nfs/dbraw/zinc/17/13/62/602171362.db2.gz VURDUSBRZCIKRM-GOSISDBHSA-N -1 3 363.385 3.157 20 0 FGADHM CC[C@](C)(CC(=O)[O-])NCc1csc(-c2ccc(O)c(OC)c2)n1 ZINC000828665737 602217916 /nfs/dbraw/zinc/21/79/16/602217916.db2.gz XUVZISMONMSPNQ-QGZVFWFLSA-N -1 3 350.440 3.257 20 0 FGADHM CN(C(=O)Nc1ccc(C(=O)[O-])cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000381783335 602363052 /nfs/dbraw/zinc/36/30/52/602363052.db2.gz YPSCRHYJBXUROB-GOSISDBHSA-N -1 3 353.422 3.123 20 0 FGADHM C[C@H](CNC(=O)Nc1ccc(C(=O)[O-])c(F)c1)N(C)Cc1ccccc1 ZINC000390531222 602382947 /nfs/dbraw/zinc/38/29/47/602382947.db2.gz IRLBZURGFCIXIB-CYBMUJFWSA-N -1 3 359.401 3.166 20 0 FGADHM Cc1ccc([C@H](CNC(=O)Nc2ccc(C(=O)[O-])c(F)c2)N(C)C)cc1 ZINC000832924026 602384682 /nfs/dbraw/zinc/38/46/82/602384682.db2.gz QHJFSLIFHYMMDM-KRWDZBQOSA-N -1 3 359.401 3.257 20 0 FGADHM Cc1cc(CN[C@@](C)(CNC(=O)OC(C)(C)C)C2CC2)oc1C(=O)[O-] ZINC000832882443 602387465 /nfs/dbraw/zinc/38/74/65/602387465.db2.gz HRLGACXPIXGUBT-SFHVURJKSA-N -1 3 352.431 3.069 20 0 FGADHM O=C([O-])NC[C@H](NCc1cnc(-c2ccccc2)nc1)C1CCCCC1 ZINC000740611156 602571873 /nfs/dbraw/zinc/57/18/73/602571873.db2.gz CIUHDBMXKTVORB-SFHVURJKSA-N -1 3 354.454 3.450 20 0 FGADHM CN(C)CCN(CCc1ccccc1)C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000739606445 602601782 /nfs/dbraw/zinc/60/17/82/602601782.db2.gz TYOBTHOJCPFBRA-UHFFFAOYSA-N -1 3 370.453 3.415 20 0 FGADHM Cc1ccc(C(=O)NC[C@H](C)N(C)Cc2ccccc2)cc1NC(=O)[O-] ZINC000830211420 602907971 /nfs/dbraw/zinc/90/79/71/602907971.db2.gz QDTXLSQRBVXIAZ-HNNXBMFYSA-N -1 3 355.438 3.335 20 0 FGADHM COc1ccc(COC(=O)C[C@@H](C)c2cccc(F)c2)cc1-c1nnn[n-]1 ZINC000826204819 607606851 /nfs/dbraw/zinc/60/68/51/607606851.db2.gz ANOLUFBFEJUYNJ-GFCCVEGCSA-N -1 3 370.384 3.251 20 0 FGADHM COc1ccc(COC(=O)C[C@@H](C)c2cccc(F)c2)cc1-c1nn[n-]n1 ZINC000826204819 607606853 /nfs/dbraw/zinc/60/68/53/607606853.db2.gz ANOLUFBFEJUYNJ-GFCCVEGCSA-N -1 3 370.384 3.251 20 0 FGADHM COc1ccc(COC(=O)[C@@H](C)c2cccc(Cl)c2)cc1-c1nnn[n-]1 ZINC000826204363 607610574 /nfs/dbraw/zinc/61/05/74/607610574.db2.gz IEVXOSQXNNLELB-NSHDSACASA-N -1 3 372.812 3.376 20 0 FGADHM COc1ccc(COC(=O)[C@@H](C)c2cccc(Cl)c2)cc1-c1nn[n-]n1 ZINC000826204363 607610576 /nfs/dbraw/zinc/61/05/76/607610576.db2.gz IEVXOSQXNNLELB-NSHDSACASA-N -1 3 372.812 3.376 20 0 FGADHM COc1ccc(COC(=O)[C@@H]2CCCc3sccc32)cc1-c1nnn[n-]1 ZINC000826205375 607614002 /nfs/dbraw/zinc/61/40/02/607614002.db2.gz UJWZBNDBZUSYPK-CYBMUJFWSA-N -1 3 370.434 3.100 20 0 FGADHM COc1ccc(COC(=O)[C@@H]2CCCc3sccc32)cc1-c1nn[n-]n1 ZINC000826205375 607614004 /nfs/dbraw/zinc/61/40/04/607614004.db2.gz UJWZBNDBZUSYPK-CYBMUJFWSA-N -1 3 370.434 3.100 20 0 FGADHM CCc1ncsc1NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000825755330 607616756 /nfs/dbraw/zinc/61/67/56/607616756.db2.gz UFAOVUHFFNEFIX-UHFFFAOYSA-N -1 3 372.454 3.073 20 0 FGADHM CCc1ncsc1NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000825755330 607616757 /nfs/dbraw/zinc/61/67/57/607616757.db2.gz UFAOVUHFFNEFIX-UHFFFAOYSA-N -1 3 372.454 3.073 20 0 FGADHM CN(C)CCN(Cc1ccco1)C(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000828030981 603472405 /nfs/dbraw/zinc/47/24/05/603472405.db2.gz MRMLTOPIHPSGKK-UHFFFAOYSA-N -1 3 364.377 3.104 20 0 FGADHM CCN(CC1CCN(Cc2ccc(C(=O)N3CCCC3)cc2)CC1)C(=O)[O-] ZINC000827099452 603504707 /nfs/dbraw/zinc/50/47/07/603504707.db2.gz NPWQWPICVOBGNZ-UHFFFAOYSA-N -1 3 373.497 3.135 20 0 FGADHM C[C@H](NC(=S)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1ccccc1 ZINC000824523317 607647572 /nfs/dbraw/zinc/64/75/72/607647572.db2.gz ZMOKDWSHOXOWKL-ZDUSSCGKSA-N -1 3 364.478 3.081 20 0 FGADHM C[C@H](NC(=S)NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1ccccc1 ZINC000824523317 607647573 /nfs/dbraw/zinc/64/75/73/607647573.db2.gz ZMOKDWSHOXOWKL-ZDUSSCGKSA-N -1 3 364.478 3.081 20 0 FGADHM Cc1cccc(NC(=S)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)c1C ZINC000826299707 607648558 /nfs/dbraw/zinc/64/85/58/607648558.db2.gz QPFNMRADYNTKAF-UHFFFAOYSA-N -1 3 364.478 3.459 20 0 FGADHM Cc1cccc(NC(=S)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)c1C ZINC000826299707 607648560 /nfs/dbraw/zinc/64/85/60/607648560.db2.gz QPFNMRADYNTKAF-UHFFFAOYSA-N -1 3 364.478 3.459 20 0 FGADHM COc1cc(NC(=O)c2ccc(-c3nnn[n-]3)cc2C)c(OC)cc1Cl ZINC000826180599 607648693 /nfs/dbraw/zinc/64/86/93/607648693.db2.gz OPWUDNCLUKSDKB-UHFFFAOYSA-N -1 3 373.800 3.098 20 0 FGADHM COc1cc(NC(=O)c2ccc(-c3nn[n-]n3)cc2C)c(OC)cc1Cl ZINC000826180599 607648695 /nfs/dbraw/zinc/64/86/95/607648695.db2.gz OPWUDNCLUKSDKB-UHFFFAOYSA-N -1 3 373.800 3.098 20 0 FGADHM C[C@H](NC(=O)CN(C)C1CCC(NC(=O)[O-])CC1)c1ccccc1Cl ZINC000825115151 603781179 /nfs/dbraw/zinc/78/11/79/603781179.db2.gz JFCJFMJAWLUKJF-HSBZDZAISA-N -1 3 367.877 3.028 20 0 FGADHM CC[C@H](NC(=O)c1ccc(-c2nnn[n-]2)cc1C)c1ccccc1OC ZINC000825132550 607662737 /nfs/dbraw/zinc/66/27/37/607662737.db2.gz ARXODWXONPFSRK-INIZCTEOSA-N -1 3 351.410 3.065 20 0 FGADHM CC[C@H](NC(=O)c1ccc(-c2nn[n-]n2)cc1C)c1ccccc1OC ZINC000825132550 607662738 /nfs/dbraw/zinc/66/27/38/607662738.db2.gz ARXODWXONPFSRK-INIZCTEOSA-N -1 3 351.410 3.065 20 0 FGADHM CN(C[C@H]1CCCN(Cc2ccccc2OCC(F)(F)F)C1)C(=O)[O-] ZINC000828180261 604039834 /nfs/dbraw/zinc/03/98/34/604039834.db2.gz KDCISSQYCVOMOO-CYBMUJFWSA-N -1 3 360.376 3.450 20 0 FGADHM COc1ccc(N(CC(C)C)C(=O)c2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000826208813 607675058 /nfs/dbraw/zinc/67/50/58/607675058.db2.gz AWUJTTGNHIBYII-UHFFFAOYSA-N -1 3 365.437 3.487 20 0 FGADHM COc1ccc(N(CC(C)C)C(=O)c2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000826208813 607675059 /nfs/dbraw/zinc/67/50/59/607675059.db2.gz AWUJTTGNHIBYII-UHFFFAOYSA-N -1 3 365.437 3.487 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccc(OC(C)C)cc1F ZINC000826250022 607677406 /nfs/dbraw/zinc/67/74/06/607677406.db2.gz GOFUFWHQXKUYNB-UHFFFAOYSA-N -1 3 355.373 3.354 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccc(OC(C)C)cc1F ZINC000826250022 607677407 /nfs/dbraw/zinc/67/74/07/607677407.db2.gz GOFUFWHQXKUYNB-UHFFFAOYSA-N -1 3 355.373 3.354 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccc2cnn(C(C)C)c2c1 ZINC000826250298 607678400 /nfs/dbraw/zinc/67/84/00/607678400.db2.gz ULFKPYTWNQVYCL-UHFFFAOYSA-N -1 3 361.409 3.358 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccc2cnn(C(C)C)c2c1 ZINC000826250298 607678403 /nfs/dbraw/zinc/67/84/03/607678403.db2.gz ULFKPYTWNQVYCL-UHFFFAOYSA-N -1 3 361.409 3.358 20 0 FGADHM C[C@H](NC(=O)[O-])[C@H]1CCCN(Cc2cccc(C(=O)N3CCCCC3)c2)C1 ZINC000825266450 604215125 /nfs/dbraw/zinc/21/51/25/604215125.db2.gz WDTSORWYLUGPCE-LPHOPBHVSA-N -1 3 373.497 3.181 20 0 FGADHM O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826454545 607680492 /nfs/dbraw/zinc/68/04/92/607680492.db2.gz AMMIPPMIOIJDHR-UHFFFAOYSA-N -1 3 360.377 3.026 20 0 FGADHM O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826454545 607680493 /nfs/dbraw/zinc/68/04/93/607680493.db2.gz AMMIPPMIOIJDHR-UHFFFAOYSA-N -1 3 360.377 3.026 20 0 FGADHM Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000832961681 604379111 /nfs/dbraw/zinc/37/91/11/604379111.db2.gz JIYOTPVDPPSYOL-VQIMIIECSA-N -1 3 368.408 3.280 20 0 FGADHM O=[S@](Cc1ccc(-c2nnn[n-]2)cc1)[C@H]1CCc2c1cccc2Cl ZINC000826496470 607689573 /nfs/dbraw/zinc/68/95/73/607689573.db2.gz XEXBMZXHQODCGT-UPCLLVRISA-N -1 3 358.854 3.456 20 0 FGADHM O=[S@](Cc1ccc(-c2nn[n-]n2)cc1)[C@H]1CCc2c1cccc2Cl ZINC000826496470 607689575 /nfs/dbraw/zinc/68/95/75/607689575.db2.gz XEXBMZXHQODCGT-UPCLLVRISA-N -1 3 358.854 3.456 20 0 FGADHM O=S(=O)(Cc1cccc(-c2nnn[n-]2)c1)[C@@H]1CCc2c1cccc2Cl ZINC000826486712 607692759 /nfs/dbraw/zinc/69/27/59/607692759.db2.gz NXXZOHGYZOXVHO-MRXNPFEDSA-N -1 3 374.853 3.122 20 0 FGADHM O=S(=O)(Cc1cccc(-c2nn[n-]n2)c1)[C@@H]1CCc2c1cccc2Cl ZINC000826486712 607692760 /nfs/dbraw/zinc/69/27/60/607692760.db2.gz NXXZOHGYZOXVHO-MRXNPFEDSA-N -1 3 374.853 3.122 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NCc1ccccc1OC1CCC1 ZINC000826249144 607694296 /nfs/dbraw/zinc/69/42/96/607694296.db2.gz NXYIRVXIUFEYNK-UHFFFAOYSA-N -1 3 363.421 3.036 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NCc1ccccc1OC1CCC1 ZINC000826249144 607694298 /nfs/dbraw/zinc/69/42/98/607694298.db2.gz NXYIRVXIUFEYNK-UHFFFAOYSA-N -1 3 363.421 3.036 20 0 FGADHM CCO[C@@H]1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)cc2C)C12CCCCC2 ZINC000825582992 607695371 /nfs/dbraw/zinc/69/53/71/607695371.db2.gz PYJAJKXCSMDRAK-IAGOWNOFSA-N -1 3 369.469 3.033 20 0 FGADHM CCO[C@@H]1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)cc2C)C12CCCCC2 ZINC000825582992 607695372 /nfs/dbraw/zinc/69/53/72/607695372.db2.gz PYJAJKXCSMDRAK-IAGOWNOFSA-N -1 3 369.469 3.033 20 0 FGADHM CC[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)cc1C)Oc1cccc(C)c1 ZINC000825119911 607701388 /nfs/dbraw/zinc/70/13/88/607701388.db2.gz GKKFWMJNFWXLSB-MRXNPFEDSA-N -1 3 365.437 3.071 20 0 FGADHM CC[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)cc1C)Oc1cccc(C)c1 ZINC000825119911 607701390 /nfs/dbraw/zinc/70/13/90/607701390.db2.gz GKKFWMJNFWXLSB-MRXNPFEDSA-N -1 3 365.437 3.071 20 0 FGADHM CC(C)(NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1ccc(Cl)c(Cl)c1 ZINC000824167730 607712475 /nfs/dbraw/zinc/71/24/75/607712475.db2.gz SRGHDQAOFLHJHV-UHFFFAOYSA-N -1 3 365.224 3.167 20 0 FGADHM CC(C)(NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1ccc(Cl)c(Cl)c1 ZINC000824167730 607712477 /nfs/dbraw/zinc/71/24/77/607712477.db2.gz SRGHDQAOFLHJHV-UHFFFAOYSA-N -1 3 365.224 3.167 20 0 FGADHM CC(C)c1ccc([C@H]2CCCN2CC(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC000833509978 604781143 /nfs/dbraw/zinc/78/11/43/604781143.db2.gz HEPKUGOZAROSLA-LJQANCHMSA-N -1 3 358.482 3.270 20 0 FGADHM O=C([O-])c1ccc(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)cc1F ZINC000833133306 604915188 /nfs/dbraw/zinc/91/51/88/604915188.db2.gz JGFLGTSFHLZNDA-SFHVURJKSA-N -1 3 356.397 3.091 20 0 FGADHM O=C(Nc1cc(F)ccc1Oc1ccccc1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826451776 607722927 /nfs/dbraw/zinc/72/29/27/607722927.db2.gz WBGNNYWRURCNJV-UHFFFAOYSA-N -1 3 364.340 3.379 20 0 FGADHM O=C(Nc1cc(F)ccc1Oc1ccccc1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826451776 607722929 /nfs/dbraw/zinc/72/29/29/607722929.db2.gz WBGNNYWRURCNJV-UHFFFAOYSA-N -1 3 364.340 3.379 20 0 FGADHM CN(C(=O)CN[C@@]1(C)CCCc2ccccc21)c1ccccc1C(=O)[O-] ZINC000833685753 604948834 /nfs/dbraw/zinc/94/88/34/604948834.db2.gz LLGZWIYQDNRBKH-NRFANRHFSA-N -1 3 352.434 3.189 20 0 FGADHM C[C@H](NCc1ccc(O[C@@H](C)C(=O)[O-])cc1)c1ccc([S@](C)=O)cc1 ZINC000833543437 605122984 /nfs/dbraw/zinc/12/29/84/605122984.db2.gz YLCDHNGIAROJJW-DZWULXIXSA-N -1 3 361.463 3.127 20 0 FGADHM C[C@H](C1CC1)N(C(=O)CN[C@H](c1ccccc1)C(C)(C)C(=O)[O-])C1CC1 ZINC000833513364 605176064 /nfs/dbraw/zinc/17/60/64/605176064.db2.gz DDFSZYYWPFJROX-AUUYWEPGSA-N -1 3 358.482 3.218 20 0 FGADHM C[C@@H]1CCC[C@H](NC(=O)CN[C@H](c2ccccc2)C(C)(C)C(=O)[O-])[C@H]1C ZINC000833611621 605181052 /nfs/dbraw/zinc/18/10/52/605181052.db2.gz YQQCRFDBAHPAKK-WXSAJPJJSA-N -1 3 360.498 3.369 20 0 FGADHM CC(C)(C)c1cc(NC(=O)CN[C@H](c2ccccc2)C(C)(C)C(=O)[O-])on1 ZINC000833449867 605181335 /nfs/dbraw/zinc/18/13/35/605181335.db2.gz CVJBPFLJLNYQJQ-QGZVFWFLSA-N -1 3 373.453 3.352 20 0 FGADHM CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)N2Cc1cccc(C(=O)[O-])c1 ZINC000833436318 605222065 /nfs/dbraw/zinc/22/20/65/605222065.db2.gz GRGZBHPVPLKLDN-SJORKVTESA-N -1 3 360.454 3.359 20 0 FGADHM C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NCC2(C(=O)[O-])CCCCC2)C1 ZINC000833547559 605384034 /nfs/dbraw/zinc/38/40/34/605384034.db2.gz BUWHRCJPKMCLMN-SJLPKXTDSA-N -1 3 373.497 3.156 20 0 FGADHM C[C@@H]1CC[C@H](C)N1CC(=O)N[C@H](CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000833605062 605411870 /nfs/dbraw/zinc/41/18/70/605411870.db2.gz WOZLAFPBDJWUFJ-TYNCELHUSA-N -1 3 372.387 3.210 20 0 FGADHM O=C([O-])N[C@@H]1CCC[C@H]2CN(Cc3ncc(-c4ccc(F)cc4)o3)C[C@H]21 ZINC000834181229 605431648 /nfs/dbraw/zinc/43/16/48/605431648.db2.gz LNWPJONVCFBMKI-NUEKZKHPSA-N -1 3 359.401 3.349 20 0 FGADHM CCOc1cc(Cl)ccc1CNC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000825615936 607757883 /nfs/dbraw/zinc/75/78/83/607757883.db2.gz QBNZUKVNBLRJKQ-UHFFFAOYSA-N -1 3 372.816 3.241 20 0 FGADHM CCOc1cc(Cl)ccc1CNC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000825615936 607757884 /nfs/dbraw/zinc/75/78/84/607757884.db2.gz QBNZUKVNBLRJKQ-UHFFFAOYSA-N -1 3 372.816 3.241 20 0 FGADHM CCOC(=O)Nc1ccc(NC(=O)C=C(CC)CC)cc1-c1nnn[n-]1 ZINC000825532313 607759426 /nfs/dbraw/zinc/75/94/26/607759426.db2.gz RXCXBDHIUNKUJC-UHFFFAOYSA-N -1 3 358.402 3.120 20 0 FGADHM CCOC(=O)Nc1ccc(NC(=O)C=C(CC)CC)cc1-c1nn[n-]n1 ZINC000825532313 607759427 /nfs/dbraw/zinc/75/94/27/607759427.db2.gz RXCXBDHIUNKUJC-UHFFFAOYSA-N -1 3 358.402 3.120 20 0 FGADHM CS[C@@H](C)CNC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000826225368 607764029 /nfs/dbraw/zinc/76/40/29/607764029.db2.gz AGMSNEYBMDOUHW-LBPRGKRZSA-N -1 3 353.451 3.015 20 0 FGADHM CS[C@@H](C)CNC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000826225368 607764030 /nfs/dbraw/zinc/76/40/30/607764030.db2.gz AGMSNEYBMDOUHW-LBPRGKRZSA-N -1 3 353.451 3.015 20 0 FGADHM Cc1cc(C(=O)N(Cc2ccco2)C2CCN(C)CC2)ccc1NC(=O)[O-] ZINC000829919519 605590801 /nfs/dbraw/zinc/59/08/01/605590801.db2.gz MOVQZSPBVLQMOW-UHFFFAOYSA-N -1 3 371.437 3.415 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)N1CC[C@@H]1c1cccc(F)c1 ZINC000826453869 607764717 /nfs/dbraw/zinc/76/47/17/607764717.db2.gz BWCULDWPIYSKSO-OAHLLOKOSA-N -1 3 356.336 3.124 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)N1CC[C@@H]1c1cccc(F)c1 ZINC000826453869 607764718 /nfs/dbraw/zinc/76/47/18/607764718.db2.gz BWCULDWPIYSKSO-OAHLLOKOSA-N -1 3 356.336 3.124 20 0 FGADHM O=C([O-])Nc1ccc2c(c1)CC[C@@H]2NCc1ccccc1N1CCOCC1 ZINC000834263300 605594947 /nfs/dbraw/zinc/59/49/47/605594947.db2.gz SEFJNZVAGRKAHQ-IBGZPJMESA-N -1 3 367.449 3.390 20 0 FGADHM Cc1ccc(NC(=O)C[C@H](NC(=O)[O-])c2ccccc2)c(CN(C)C)c1 ZINC000833905563 605607953 /nfs/dbraw/zinc/60/79/53/605607953.db2.gz QQVSLWJMTUNXSX-SFHVURJKSA-N -1 3 355.438 3.394 20 0 FGADHM O=C([O-])N1CC[C@@]2(C1)C[C@@H](NCCOC1CCCC1)c1ccccc1O2 ZINC000834085657 605633357 /nfs/dbraw/zinc/63/33/57/605633357.db2.gz MHVRZGRKCGHGLN-XLIONFOSSA-N -1 3 360.454 3.182 20 0 FGADHM O=C(N[C@@H](CC1CCCC1)c1ccccc1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000826426368 607768092 /nfs/dbraw/zinc/76/80/92/607768092.db2.gz LTJPASSTJQSYEU-INIZCTEOSA-N -1 3 350.426 3.246 20 0 FGADHM O=C(N[C@@H](CC1CCCC1)c1ccccc1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000826426368 607768093 /nfs/dbraw/zinc/76/80/93/607768093.db2.gz LTJPASSTJQSYEU-INIZCTEOSA-N -1 3 350.426 3.246 20 0 FGADHM COc1cc(NC(C)=O)ccc1[C@@H](C)NC[C@H](NC(=O)[O-])c1ccccc1 ZINC000833888026 605697239 /nfs/dbraw/zinc/69/72/39/605697239.db2.gz QSMPWWDOETVCGX-ACJLOTCBSA-N -1 3 371.437 3.313 20 0 FGADHM O=C(Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)[C@@H]1CC12CCC2 ZINC000826459304 607771682 /nfs/dbraw/zinc/77/16/82/607771682.db2.gz FBFDUIPZENNGBM-LBPRGKRZSA-N -1 3 352.423 3.119 20 0 FGADHM O=C(Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)[C@@H]1CC12CCC2 ZINC000826459304 607771683 /nfs/dbraw/zinc/77/16/83/607771683.db2.gz FBFDUIPZENNGBM-LBPRGKRZSA-N -1 3 352.423 3.119 20 0 FGADHM O=C([O-])N[C@H]1C[C@@H](NCc2ccc(Cn3cccn3)cc2)c2ccccc21 ZINC000834159283 605789767 /nfs/dbraw/zinc/78/97/67/605789767.db2.gz RTBWUJCTNVKEKT-UXHICEINSA-N -1 3 362.433 3.475 20 0 FGADHM CCOc1ccc([C@@H](C)Nc2ccc(-c3nnn[n-]3)nc2)cc1OCC ZINC000821417789 606023735 /nfs/dbraw/zinc/02/37/35/606023735.db2.gz RTOKYNPKQOEEHE-GFCCVEGCSA-N -1 3 354.414 3.232 20 0 FGADHM CCOc1ccc([C@@H](C)Nc2ccc(-c3nn[n-]n3)nc2)cc1OCC ZINC000821417789 606023737 /nfs/dbraw/zinc/02/37/37/606023737.db2.gz RTOKYNPKQOEEHE-GFCCVEGCSA-N -1 3 354.414 3.232 20 0 FGADHM CCC(=O)Nc1cccc(CNc2nc3ccccc3cc2-c2nnn[n-]2)c1 ZINC000820836429 606045705 /nfs/dbraw/zinc/04/57/05/606045705.db2.gz AFPNJGOXHSOKPI-UHFFFAOYSA-N -1 3 373.420 3.376 20 0 FGADHM CCC(=O)Nc1cccc(CNc2nc3ccccc3cc2-c2nn[n-]n2)c1 ZINC000820836429 606045710 /nfs/dbraw/zinc/04/57/10/606045710.db2.gz AFPNJGOXHSOKPI-UHFFFAOYSA-N -1 3 373.420 3.376 20 0 FGADHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(N(C)Cc3nccs3)c2c1 ZINC000822195174 606046384 /nfs/dbraw/zinc/04/63/84/606046384.db2.gz JCQLFMIVAPNNJX-UHFFFAOYSA-N -1 3 351.439 3.125 20 0 FGADHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(N(C)Cc3nccs3)c2c1 ZINC000822195174 606046388 /nfs/dbraw/zinc/04/63/88/606046388.db2.gz JCQLFMIVAPNNJX-UHFFFAOYSA-N -1 3 351.439 3.125 20 0 FGADHM Cc1cc(C)n([C@H]2CCCN(c3nc4ccccc4cc3-c3nnn[n-]3)C2)n1 ZINC000822197407 606079034 /nfs/dbraw/zinc/07/90/34/606079034.db2.gz ACDBIUJKYXNVMS-INIZCTEOSA-N -1 3 374.452 3.070 20 0 FGADHM Cc1cc(C)n([C@H]2CCCN(c3nc4ccccc4cc3-c3nn[n-]n3)C2)n1 ZINC000822197407 606079040 /nfs/dbraw/zinc/07/90/40/606079040.db2.gz ACDBIUJKYXNVMS-INIZCTEOSA-N -1 3 374.452 3.070 20 0 FGADHM C[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)cn1)c1ccc(Cl)c(Cl)c1 ZINC000819865339 606102139 /nfs/dbraw/zinc/10/21/39/606102139.db2.gz CWIXAVXFGDLANN-QMMMGPOBSA-N -1 3 363.208 3.311 20 0 FGADHM C[C@H](C(=O)Nc1ccc(-c2nn[n-]n2)cn1)c1ccc(Cl)c(Cl)c1 ZINC000819865339 606102142 /nfs/dbraw/zinc/10/21/42/606102142.db2.gz CWIXAVXFGDLANN-QMMMGPOBSA-N -1 3 363.208 3.311 20 0 FGADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000820529584 606104229 /nfs/dbraw/zinc/10/42/29/606104229.db2.gz QKGHZVOBVTYIQE-XOSAIJSUSA-N -1 3 369.469 3.109 20 0 FGADHM O=C(OCc1cccc(OC(F)(F)F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000823430925 606107366 /nfs/dbraw/zinc/10/73/66/606107366.db2.gz MDGYFYYSHQBEER-UHFFFAOYSA-N -1 3 364.283 3.122 20 0 FGADHM O=C(OCc1cccc(OC(F)(F)F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000823430925 606107369 /nfs/dbraw/zinc/10/73/69/606107369.db2.gz MDGYFYYSHQBEER-UHFFFAOYSA-N -1 3 364.283 3.122 20 0 FGADHM C[C@@H](NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)[C@@H](C)c1ccccc1 ZINC000820379774 606120277 /nfs/dbraw/zinc/12/02/77/606120277.db2.gz GWFXILDQHKHMDV-VXGBXAGGSA-N -1 3 354.389 3.320 20 0 FGADHM C[C@@H](NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)[C@@H](C)c1ccccc1 ZINC000820379774 606120279 /nfs/dbraw/zinc/12/02/79/606120279.db2.gz GWFXILDQHKHMDV-VXGBXAGGSA-N -1 3 354.389 3.320 20 0 FGADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C/C=C\c1ccc(F)cc1 ZINC000821608633 606136196 /nfs/dbraw/zinc/13/61/96/606136196.db2.gz OLUXJCQZDSAUHL-IHWYPQMZSA-N -1 3 351.385 3.068 20 0 FGADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C/C=C\c1ccc(F)cc1 ZINC000821608633 606136197 /nfs/dbraw/zinc/13/61/97/606136197.db2.gz OLUXJCQZDSAUHL-IHWYPQMZSA-N -1 3 351.385 3.068 20 0 FGADHM COC[C@H](Cc1ccccc1)Nc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000821683258 606141297 /nfs/dbraw/zinc/14/12/97/606141297.db2.gz ZPMDBEIIVJFBCH-HNNXBMFYSA-N -1 3 360.421 3.085 20 0 FGADHM COC[C@H](Cc1ccccc1)Nc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000821683258 606141298 /nfs/dbraw/zinc/14/12/98/606141298.db2.gz ZPMDBEIIVJFBCH-HNNXBMFYSA-N -1 3 360.421 3.085 20 0 FGADHM Cn1cccc1[C@@H]1CCCCN1C(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000822690511 606166896 /nfs/dbraw/zinc/16/68/96/606166896.db2.gz ZYOKKCDAAQZHNY-INIZCTEOSA-N -1 3 367.482 3.129 20 0 FGADHM Cn1cccc1[C@@H]1CCCCN1C(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000822690511 606166898 /nfs/dbraw/zinc/16/68/98/606166898.db2.gz ZYOKKCDAAQZHNY-INIZCTEOSA-N -1 3 367.482 3.129 20 0 FGADHM O=[S@@](Cc1cc(-c2cccs2)on1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000823606182 606181230 /nfs/dbraw/zinc/18/12/30/606181230.db2.gz GEYNFNRSQGJWGV-RUZDIDTESA-N -1 3 371.447 3.032 20 0 FGADHM O=[S@@](Cc1cc(-c2cccs2)on1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000823606182 606181232 /nfs/dbraw/zinc/18/12/32/606181232.db2.gz GEYNFNRSQGJWGV-RUZDIDTESA-N -1 3 371.447 3.032 20 0 FGADHM Cc1ccc(CCCC(=O)OCc2ccc(-c3nnn[n-]3)cc2F)s1 ZINC000822236189 606193218 /nfs/dbraw/zinc/19/32/18/606193218.db2.gz NMZUISGXBVWGJR-UHFFFAOYSA-N -1 3 360.414 3.442 20 0 FGADHM Cc1ccc(CCCC(=O)OCc2ccc(-c3nn[n-]n3)cc2F)s1 ZINC000822236189 606193219 /nfs/dbraw/zinc/19/32/19/606193219.db2.gz NMZUISGXBVWGJR-UHFFFAOYSA-N -1 3 360.414 3.442 20 0 FGADHM Clc1ccc(-c2nnn[n-]2)c(NCCCc2nc3ccccc3[nH]2)c1 ZINC000822568410 606215700 /nfs/dbraw/zinc/21/57/00/606215700.db2.gz PQMCVKHHPHERCX-UHFFFAOYSA-N -1 3 353.817 3.441 20 0 FGADHM Clc1ccc(-c2nn[n-]n2)c(NCCCc2nc3ccccc3[nH]2)c1 ZINC000822568410 606215701 /nfs/dbraw/zinc/21/57/01/606215701.db2.gz PQMCVKHHPHERCX-UHFFFAOYSA-N -1 3 353.817 3.441 20 0 FGADHM O=C([C@@H]1C[C@H]1C1CC1)N(Cc1ccccc1)c1ccccc1-c1nnn[n-]1 ZINC000822916929 606223885 /nfs/dbraw/zinc/22/38/85/606223885.db2.gz ITMQPKZELWYCEL-ZWKOTPCHSA-N -1 3 359.433 3.446 20 0 FGADHM O=C([C@@H]1C[C@H]1C1CC1)N(Cc1ccccc1)c1ccccc1-c1nn[n-]n1 ZINC000822916929 606223886 /nfs/dbraw/zinc/22/38/86/606223886.db2.gz ITMQPKZELWYCEL-ZWKOTPCHSA-N -1 3 359.433 3.446 20 0 FGADHM CC1(C)CN(c2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)CCS1 ZINC000820606758 606230455 /nfs/dbraw/zinc/23/04/55/606230455.db2.gz CGEIPXQYAQUHGD-UHFFFAOYSA-N -1 3 362.409 3.025 20 0 FGADHM CC1(C)CN(c2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)CCS1 ZINC000820606758 606230457 /nfs/dbraw/zinc/23/04/57/606230457.db2.gz CGEIPXQYAQUHGD-UHFFFAOYSA-N -1 3 362.409 3.025 20 0 FGADHM CCC(=O)COC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000820831990 606236307 /nfs/dbraw/zinc/23/63/07/606236307.db2.gz GOXRQBWYPSIZDM-UHFFFAOYSA-N -1 3 368.418 3.154 20 0 FGADHM CCC(=O)COC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000820831990 606236309 /nfs/dbraw/zinc/23/63/09/606236309.db2.gz GOXRQBWYPSIZDM-UHFFFAOYSA-N -1 3 368.418 3.154 20 0 FGADHM CCOCCOC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000821384376 606237035 /nfs/dbraw/zinc/23/70/35/606237035.db2.gz WYAKMXBPAIZXEQ-UHFFFAOYSA-N -1 3 370.434 3.211 20 0 FGADHM CCOCCOC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000821384376 606237036 /nfs/dbraw/zinc/23/70/36/606237036.db2.gz WYAKMXBPAIZXEQ-UHFFFAOYSA-N -1 3 370.434 3.211 20 0 FGADHM COc1ccc(CNc2ccc(-c3nnn[n-]3)cn2)c(OC2CCCC2)c1 ZINC000821821816 606241951 /nfs/dbraw/zinc/24/19/51/606241951.db2.gz YJZPSAFIZUGJOK-UHFFFAOYSA-N -1 3 366.425 3.204 20 0 FGADHM COc1ccc(CNc2ccc(-c3nn[n-]n3)cn2)c(OC2CCCC2)c1 ZINC000821821816 606241953 /nfs/dbraw/zinc/24/19/53/606241953.db2.gz YJZPSAFIZUGJOK-UHFFFAOYSA-N -1 3 366.425 3.204 20 0 FGADHM Cc1c(Cl)cccc1N[C@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O ZINC000822035448 606242163 /nfs/dbraw/zinc/24/21/63/606242163.db2.gz VCPOBRYHJPLRML-ZDUSSCGKSA-N -1 3 374.857 3.107 20 0 FGADHM Cc1c(Cl)cccc1N[C@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O ZINC000822035448 606242165 /nfs/dbraw/zinc/24/21/65/606242165.db2.gz VCPOBRYHJPLRML-ZDUSSCGKSA-N -1 3 374.857 3.107 20 0 FGADHM CCCc1ccc(N[C@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)cc1 ZINC000821143816 606244738 /nfs/dbraw/zinc/24/47/38/606244738.db2.gz YLUBCNFJCKDXAJ-HNNXBMFYSA-N -1 3 368.466 3.098 20 0 FGADHM CCCc1ccc(N[C@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)cc1 ZINC000821143816 606244740 /nfs/dbraw/zinc/24/47/40/606244740.db2.gz YLUBCNFJCKDXAJ-HNNXBMFYSA-N -1 3 368.466 3.098 20 0 FGADHM O=C(N[C@H](CCc1ccccc1)c1ccccc1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823140314 606259584 /nfs/dbraw/zinc/25/95/84/606259584.db2.gz RZTRDQPDXNTAOZ-GOSISDBHSA-N -1 3 372.432 3.299 20 0 FGADHM O=C(N[C@H](CCc1ccccc1)c1ccccc1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823140314 606259586 /nfs/dbraw/zinc/25/95/86/606259586.db2.gz RZTRDQPDXNTAOZ-GOSISDBHSA-N -1 3 372.432 3.299 20 0 FGADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)Nc1cccc(Cl)n1 ZINC000822955529 606259637 /nfs/dbraw/zinc/25/96/37/606259637.db2.gz ZDLDDSGIXIMERH-UHFFFAOYSA-N -1 3 372.816 3.103 20 0 FGADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)Nc1cccc(Cl)n1 ZINC000822955529 606259638 /nfs/dbraw/zinc/25/96/38/606259638.db2.gz ZDLDDSGIXIMERH-UHFFFAOYSA-N -1 3 372.816 3.103 20 0 FGADHM C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000820562992 606259877 /nfs/dbraw/zinc/25/98/77/606259877.db2.gz KZDFJCDVVPJOPT-RYUDHWBXSA-N -1 3 372.860 3.123 20 0 FGADHM C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000820562992 606259878 /nfs/dbraw/zinc/25/98/78/606259878.db2.gz KZDFJCDVVPJOPT-RYUDHWBXSA-N -1 3 372.860 3.123 20 0 FGADHM O=C(Cc1ccc(Cl)c(Cl)c1)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000823082808 606262492 /nfs/dbraw/zinc/26/24/92/606262492.db2.gz RCVLXMJBTBADII-UHFFFAOYSA-N -1 3 366.183 3.494 20 0 FGADHM O=C(Cc1ccc(Cl)c(Cl)c1)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000823082808 606262494 /nfs/dbraw/zinc/26/24/94/606262494.db2.gz RCVLXMJBTBADII-UHFFFAOYSA-N -1 3 366.183 3.494 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000823337436 606267486 /nfs/dbraw/zinc/26/74/86/606267486.db2.gz LWVAOCCEGYJDGY-ZYHUDNBSSA-N -1 3 359.311 3.026 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000823337436 606267488 /nfs/dbraw/zinc/26/74/88/606267488.db2.gz LWVAOCCEGYJDGY-ZYHUDNBSSA-N -1 3 359.311 3.026 20 0 FGADHM O=C(Cc1coc2cc(F)ccc12)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000823118521 606270738 /nfs/dbraw/zinc/27/07/38/606270738.db2.gz CNRPVJJFHAUPMX-UHFFFAOYSA-N -1 3 355.304 3.072 20 0 FGADHM O=C(Cc1coc2cc(F)ccc12)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000823118521 606270739 /nfs/dbraw/zinc/27/07/39/606270739.db2.gz CNRPVJJFHAUPMX-UHFFFAOYSA-N -1 3 355.304 3.072 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)c1sccc1Br ZINC000823347396 606271155 /nfs/dbraw/zinc/27/11/55/606271155.db2.gz XDFXWAKLWRXJOI-UHFFFAOYSA-N -1 3 368.191 3.082 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)c1sccc1Br ZINC000823347396 606271157 /nfs/dbraw/zinc/27/11/57/606271157.db2.gz XDFXWAKLWRXJOI-UHFFFAOYSA-N -1 3 368.191 3.082 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000823343995 606273217 /nfs/dbraw/zinc/27/32/17/606273217.db2.gz NHJFBGPEMDNUSJ-IUCAKERBSA-N -1 3 357.311 3.313 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000823343995 606273218 /nfs/dbraw/zinc/27/32/18/606273218.db2.gz NHJFBGPEMDNUSJ-IUCAKERBSA-N -1 3 357.311 3.313 20 0 FGADHM CC(C)C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1ccc(Cl)cc1 ZINC000820055869 606279550 /nfs/dbraw/zinc/27/95/50/606279550.db2.gz LAYOIZHZNCLGJQ-CQSZACIVSA-N -1 3 358.833 3.365 20 0 FGADHM CC(C)C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1ccc(Cl)cc1 ZINC000820055869 606279552 /nfs/dbraw/zinc/27/95/52/606279552.db2.gz LAYOIZHZNCLGJQ-CQSZACIVSA-N -1 3 358.833 3.365 20 0 FGADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CCc2cc(-c3cccc(F)c3)ccc21 ZINC000823466360 606289445 /nfs/dbraw/zinc/28/94/45/606289445.db2.gz JWGCSTXFBMLRES-UHFFFAOYSA-N -1 3 374.379 3.204 20 0 FGADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CCc2cc(-c3cccc(F)c3)ccc21 ZINC000823466360 606289446 /nfs/dbraw/zinc/28/94/46/606289446.db2.gz JWGCSTXFBMLRES-UHFFFAOYSA-N -1 3 374.379 3.204 20 0 FGADHM COC(=O)[C@H](Nc1ccc(C(C)(C)C)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000821644690 606297292 /nfs/dbraw/zinc/29/72/92/606297292.db2.gz GNONMGQSDCFWIR-QGZVFWFLSA-N -1 3 365.437 3.490 20 0 FGADHM COC(=O)[C@H](Nc1ccc(C(C)(C)C)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000821644690 606297293 /nfs/dbraw/zinc/29/72/93/606297293.db2.gz GNONMGQSDCFWIR-QGZVFWFLSA-N -1 3 365.437 3.490 20 0 FGADHM COC(=O)[C@H](Nc1ccc(CSC)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000821645387 606305667 /nfs/dbraw/zinc/30/56/67/606305667.db2.gz YCPZZVFDRZCTFS-MRXNPFEDSA-N -1 3 369.450 3.056 20 0 FGADHM COC(=O)[C@H](Nc1ccc(CSC)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000821645387 606305668 /nfs/dbraw/zinc/30/56/68/606305668.db2.gz YCPZZVFDRZCTFS-MRXNPFEDSA-N -1 3 369.450 3.056 20 0 FGADHM C[C@H](c1ccc(Cl)cc1)N(C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC000820562989 606314881 /nfs/dbraw/zinc/31/48/81/606314881.db2.gz KYQSXPCSHOYHOV-SNVBAGLBSA-N -1 3 356.817 3.214 20 0 FGADHM C[C@H](c1ccc(Cl)cc1)N(C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC000820562989 606314884 /nfs/dbraw/zinc/31/48/84/606314884.db2.gz KYQSXPCSHOYHOV-SNVBAGLBSA-N -1 3 356.817 3.214 20 0 FGADHM Cc1ccc(CN(Cc2ccco2)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)s1 ZINC000822237083 606317498 /nfs/dbraw/zinc/31/74/98/606317498.db2.gz DITUXNZGMIAAIE-UHFFFAOYSA-N -1 3 368.422 3.000 20 0 FGADHM Cc1ccc(CN(Cc2ccco2)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)s1 ZINC000822237083 606317500 /nfs/dbraw/zinc/31/75/00/606317500.db2.gz DITUXNZGMIAAIE-UHFFFAOYSA-N -1 3 368.422 3.000 20 0 FGADHM CCC(CC)(NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1ccc(Cl)cc1 ZINC000820887559 606318003 /nfs/dbraw/zinc/31/80/03/606318003.db2.gz GRJFBPAICHSOOF-UHFFFAOYSA-N -1 3 358.833 3.294 20 0 FGADHM CCC(CC)(NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1ccc(Cl)cc1 ZINC000820887559 606318004 /nfs/dbraw/zinc/31/80/04/606318004.db2.gz GRJFBPAICHSOOF-UHFFFAOYSA-N -1 3 358.833 3.294 20 0 FGADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N(Cc1ccc(F)cc1F)C1CCCC1 ZINC000823460574 606321396 /nfs/dbraw/zinc/32/13/96/606321396.db2.gz QMYCJPXXZFAKKO-UHFFFAOYSA-N -1 3 372.379 3.058 20 0 FGADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N(Cc1ccc(F)cc1F)C1CCCC1 ZINC000823460574 606321397 /nfs/dbraw/zinc/32/13/97/606321397.db2.gz QMYCJPXXZFAKKO-UHFFFAOYSA-N -1 3 372.379 3.058 20 0 FGADHM Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)c2cc(-c3nnn[n-]3)c[nH]2)cc1 ZINC000822232096 606323858 /nfs/dbraw/zinc/32/38/58/606323858.db2.gz SWBUHDGJBYBXGL-DYVFJYSZSA-N -1 3 350.426 3.117 20 0 FGADHM Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)c2cc(-c3nn[n-]n3)c[nH]2)cc1 ZINC000822232096 606323860 /nfs/dbraw/zinc/32/38/60/606323860.db2.gz SWBUHDGJBYBXGL-DYVFJYSZSA-N -1 3 350.426 3.117 20 0 FGADHM Cc1ccc([C@H]2[C@@H](C)CCCN2C(=O)c2cc(-c3nnn[n-]3)c[nH]2)cc1 ZINC000822232098 606324070 /nfs/dbraw/zinc/32/40/70/606324070.db2.gz SWBUHDGJBYBXGL-SUMWQHHRSA-N -1 3 350.426 3.117 20 0 FGADHM Cc1ccc([C@H]2[C@@H](C)CCCN2C(=O)c2cc(-c3nn[n-]n3)c[nH]2)cc1 ZINC000822232098 606324072 /nfs/dbraw/zinc/32/40/72/606324072.db2.gz SWBUHDGJBYBXGL-SUMWQHHRSA-N -1 3 350.426 3.117 20 0 FGADHM Cc1nc(C)c(C(=O)Nc2sc(-c3ccccc3)cc2-c2nnn[n-]2)o1 ZINC000822427362 606336577 /nfs/dbraw/zinc/33/65/77/606336577.db2.gz KWNQLVRCYQEGKC-UHFFFAOYSA-N -1 3 366.406 3.452 20 0 FGADHM Cc1nc(C)c(C(=O)Nc2sc(-c3ccccc3)cc2-c2nn[n-]n2)o1 ZINC000822427362 606336579 /nfs/dbraw/zinc/33/65/79/606336579.db2.gz KWNQLVRCYQEGKC-UHFFFAOYSA-N -1 3 366.406 3.452 20 0 FGADHM C[C@H](OC(=O)CCC(=O)c1cccs1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820488766 606338513 /nfs/dbraw/zinc/33/85/13/606338513.db2.gz UBEWZNFKVVGIEF-NSHDSACASA-N -1 3 356.407 3.196 20 0 FGADHM C[C@H](OC(=O)CCC(=O)c1cccs1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820488766 606338514 /nfs/dbraw/zinc/33/85/14/606338514.db2.gz UBEWZNFKVVGIEF-NSHDSACASA-N -1 3 356.407 3.196 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N1[C@H](C)C[C@@H]2CCCC[C@@H]21 ZINC000821762458 606344497 /nfs/dbraw/zinc/34/44/97/606344497.db2.gz LXWVYQDULOFBKK-XUJVJEKNSA-N -1 3 356.430 3.060 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N1[C@H](C)C[C@@H]2CCCC[C@@H]21 ZINC000821762458 606344499 /nfs/dbraw/zinc/34/44/99/606344499.db2.gz LXWVYQDULOFBKK-XUJVJEKNSA-N -1 3 356.430 3.060 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N1[C@H](C)C[C@@H]2CCCC[C@H]21 ZINC000821407942 606344924 /nfs/dbraw/zinc/34/49/24/606344924.db2.gz YJHDKXROVNVQKU-DVOMOZLQSA-N -1 3 370.457 3.450 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N1[C@H](C)C[C@@H]2CCCC[C@H]21 ZINC000821407942 606344927 /nfs/dbraw/zinc/34/49/27/606344927.db2.gz YJHDKXROVNVQKU-DVOMOZLQSA-N -1 3 370.457 3.450 20 0 FGADHM Cc1cc(C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)nn1C(C)(C)C ZINC000822184423 606350013 /nfs/dbraw/zinc/35/00/13/606350013.db2.gz UIIGNBKNGAQJIF-LBPRGKRZSA-N -1 3 354.414 3.045 20 0 FGADHM Cc1cc(C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)nn1C(C)(C)C ZINC000822184423 606350015 /nfs/dbraw/zinc/35/00/15/606350015.db2.gz UIIGNBKNGAQJIF-LBPRGKRZSA-N -1 3 354.414 3.045 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)N1CC[C@H](c2ccccc2)C1 ZINC000823344295 606350274 /nfs/dbraw/zinc/35/02/74/606350274.db2.gz UGWZARVERUUYBV-ZDUSSCGKSA-N -1 3 352.373 3.027 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)N1CC[C@H](c2ccccc2)C1 ZINC000823344295 606350275 /nfs/dbraw/zinc/35/02/75/606350275.db2.gz UGWZARVERUUYBV-ZDUSSCGKSA-N -1 3 352.373 3.027 20 0 FGADHM C[C@@H](OC(=O)c1sccc1OC(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000820518838 606354916 /nfs/dbraw/zinc/35/49/16/606354916.db2.gz LUXCGAHSYLRAFI-MRVPVSSYSA-N -1 3 366.349 3.448 20 0 FGADHM C[C@@H](OC(=O)c1sccc1OC(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000820518838 606354917 /nfs/dbraw/zinc/35/49/17/606354917.db2.gz LUXCGAHSYLRAFI-MRVPVSSYSA-N -1 3 366.349 3.448 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)N1CCc2c(Cl)cccc2C1 ZINC000823343814 606355121 /nfs/dbraw/zinc/35/51/21/606355121.db2.gz IBSBJFXBFPZCEG-UHFFFAOYSA-N -1 3 372.791 3.249 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)N1CCc2c(Cl)cccc2C1 ZINC000823343814 606355122 /nfs/dbraw/zinc/35/51/22/606355122.db2.gz IBSBJFXBFPZCEG-UHFFFAOYSA-N -1 3 372.791 3.249 20 0 FGADHM CS/C=C/C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821956448 606361198 /nfs/dbraw/zinc/36/11/98/606361198.db2.gz OXGDEEXENQGWQP-ZHACJKMWSA-N -1 3 353.407 3.474 20 0 FGADHM CS/C=C/C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821956448 606361199 /nfs/dbraw/zinc/36/11/99/606361199.db2.gz OXGDEEXENQGWQP-ZHACJKMWSA-N -1 3 353.407 3.474 20 0 FGADHM O=C(Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)c1ccncc1 ZINC000823453957 606362364 /nfs/dbraw/zinc/36/23/64/606362364.db2.gz GTIDMVRVOHISKZ-UHFFFAOYSA-N -1 3 359.345 3.273 20 0 FGADHM CCS[C@@H]1CCC[C@@H](NC(=O)C=Cc2ccccc2-c2nnn[n-]2)C1 ZINC000821447318 606364129 /nfs/dbraw/zinc/36/41/29/606364129.db2.gz IZXURRCRVPKYNT-UWLACMPISA-N -1 3 357.483 3.060 20 0 FGADHM CCS[C@@H]1CCC[C@@H](NC(=O)C=Cc2ccccc2-c2nn[n-]n2)C1 ZINC000821447318 606364130 /nfs/dbraw/zinc/36/41/30/606364130.db2.gz IZXURRCRVPKYNT-UWLACMPISA-N -1 3 357.483 3.060 20 0 FGADHM C[C@H]1CN(Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)[C@@H]1c1ccccc1 ZINC000820761277 606375205 /nfs/dbraw/zinc/37/52/05/606375205.db2.gz WQHNYZHRVQMCRR-UGSOOPFHSA-N -1 3 373.420 3.110 20 0 FGADHM C[C@H]1CN(Cc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)[C@@H]1c1ccccc1 ZINC000820761277 606375207 /nfs/dbraw/zinc/37/52/07/606375207.db2.gz WQHNYZHRVQMCRR-UGSOOPFHSA-N -1 3 373.420 3.110 20 0 FGADHM CCS[C@H]1CCC[C@@H](NC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000821456434 606382596 /nfs/dbraw/zinc/38/25/96/606382596.db2.gz PWBQHDKOGPAECC-PWSUYJOCSA-N -1 3 364.450 3.192 20 0 FGADHM CCS[C@H]1CCC[C@@H](NC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000821456434 606382597 /nfs/dbraw/zinc/38/25/97/606382597.db2.gz PWBQHDKOGPAECC-PWSUYJOCSA-N -1 3 364.450 3.192 20 0 FGADHM C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000820650235 606383946 /nfs/dbraw/zinc/38/39/46/606383946.db2.gz SEPPFPQVIOULKN-IAQYHMDHSA-N -1 3 360.437 3.020 20 0 FGADHM C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000820650235 606383948 /nfs/dbraw/zinc/38/39/48/606383948.db2.gz SEPPFPQVIOULKN-IAQYHMDHSA-N -1 3 360.437 3.020 20 0 FGADHM CCS[C@H]1CCC[C@H](NC(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000821456554 606384596 /nfs/dbraw/zinc/38/45/96/606384596.db2.gz PYFYTRFPQYAEAM-HOTGVXAUSA-N -1 3 374.514 3.072 20 0 FGADHM CCS[C@H]1CCC[C@H](NC(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000821456554 606384598 /nfs/dbraw/zinc/38/45/98/606384598.db2.gz PYFYTRFPQYAEAM-HOTGVXAUSA-N -1 3 374.514 3.072 20 0 FGADHM CCS[C@@H]1CCC[C@@H](NC(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000821455292 606384699 /nfs/dbraw/zinc/38/46/99/606384699.db2.gz IZWNRZWQRSDXEF-HZPDHXFCSA-N -1 3 374.514 3.072 20 0 FGADHM CCS[C@@H]1CCC[C@@H](NC(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821455292 606384701 /nfs/dbraw/zinc/38/47/01/606384701.db2.gz IZWNRZWQRSDXEF-HZPDHXFCSA-N -1 3 374.514 3.072 20 0 FGADHM COc1cccc(C(C)=CC(=O)OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000821857998 606391397 /nfs/dbraw/zinc/39/13/97/606391397.db2.gz CESGGJCNBMBYKD-LCYFTJDESA-N -1 3 350.378 3.022 20 0 FGADHM COc1cccc(C(C)=CC(=O)OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000821857998 606391399 /nfs/dbraw/zinc/39/13/99/606391399.db2.gz CESGGJCNBMBYKD-LCYFTJDESA-N -1 3 350.378 3.022 20 0 FGADHM CCc1ccc(C(C)(C)NC(=O)NCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821477105 606391698 /nfs/dbraw/zinc/39/16/98/606391698.db2.gz YOBWNUGKZPJAJT-UHFFFAOYSA-N -1 3 364.453 3.164 20 0 FGADHM CCc1ccc(C(C)(C)NC(=O)NCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821477105 606391701 /nfs/dbraw/zinc/39/17/01/606391701.db2.gz YOBWNUGKZPJAJT-UHFFFAOYSA-N -1 3 364.453 3.164 20 0 FGADHM C[C@@H]1CCN(c2c(-c3nnn[n-]3)cnc3ccc(OC(F)F)cc32)[C@H]1C ZINC000820728258 606423968 /nfs/dbraw/zinc/42/39/68/606423968.db2.gz UKAPNPTUTQIENT-ZJUUUORDSA-N -1 3 360.368 3.251 20 0 FGADHM C[C@@H]1CCN(c2c(-c3nn[n-]n3)cnc3ccc(OC(F)F)cc32)[C@H]1C ZINC000820728258 606423970 /nfs/dbraw/zinc/42/39/70/606423970.db2.gz UKAPNPTUTQIENT-ZJUUUORDSA-N -1 3 360.368 3.251 20 0 FGADHM FC(F)(F)c1cccc(-n2cc(Nc3ncccc3-c3nnn[n-]3)cn2)c1 ZINC000822728680 606433144 /nfs/dbraw/zinc/43/31/44/606433144.db2.gz IVXALWLGJVDAGV-UHFFFAOYSA-N -1 3 372.314 3.210 20 0 FGADHM FC(F)(F)c1cccc(-n2cc(Nc3ncccc3-c3nn[n-]n3)cn2)c1 ZINC000822728680 606433147 /nfs/dbraw/zinc/43/31/47/606433147.db2.gz IVXALWLGJVDAGV-UHFFFAOYSA-N -1 3 372.314 3.210 20 0 FGADHM Cc1cc([C@@H](C)NC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)ccc1F ZINC000822191952 606442607 /nfs/dbraw/zinc/44/26/07/606442607.db2.gz VHFUWMUHXUHDLI-LLVKDONJSA-N -1 3 372.379 3.014 20 0 FGADHM Cc1cc([C@@H](C)NC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)ccc1F ZINC000822191952 606442608 /nfs/dbraw/zinc/44/26/08/606442608.db2.gz VHFUWMUHXUHDLI-LLVKDONJSA-N -1 3 372.379 3.014 20 0 FGADHM Fc1ccc(-c2nnn[n-]2)cc1CNc1cccc(OC[C@@H]2CCCO2)c1 ZINC000822761252 606445058 /nfs/dbraw/zinc/44/50/58/606445058.db2.gz DXZNWEMZVHAJSY-KRWDZBQOSA-N -1 3 369.400 3.176 20 0 FGADHM Fc1ccc(-c2nn[n-]n2)cc1CNc1cccc(OC[C@@H]2CCCO2)c1 ZINC000822761252 606445059 /nfs/dbraw/zinc/44/50/59/606445059.db2.gz DXZNWEMZVHAJSY-KRWDZBQOSA-N -1 3 369.400 3.176 20 0 FGADHM CCO[C@@H]1C[C@H](OC(=O)c2cc(-c3nnn[n-]3)cs2)C12CCCCC2 ZINC000821367205 606466575 /nfs/dbraw/zinc/46/65/75/606466575.db2.gz COSQXLSMJGBXFD-KGLIPLIRSA-N -1 3 362.455 3.213 20 0 FGADHM CCO[C@@H]1C[C@H](OC(=O)c2cc(-c3nn[n-]n3)cs2)C12CCCCC2 ZINC000821367205 606466577 /nfs/dbraw/zinc/46/65/77/606466577.db2.gz COSQXLSMJGBXFD-KGLIPLIRSA-N -1 3 362.455 3.213 20 0 FGADHM CC[C@H](NC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1cccc(Cl)c1 ZINC000820914300 606503613 /nfs/dbraw/zinc/50/36/13/606503613.db2.gz NUVRRFLFMMRPCE-INIZCTEOSA-N -1 3 355.829 3.330 20 0 FGADHM CC[C@H](NC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1cccc(Cl)c1 ZINC000820914300 606503614 /nfs/dbraw/zinc/50/36/14/606503614.db2.gz NUVRRFLFMMRPCE-INIZCTEOSA-N -1 3 355.829 3.330 20 0 FGADHM CC(C)N(Cc1cccc(Cl)c1)C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820121329 606504497 /nfs/dbraw/zinc/50/44/97/606504497.db2.gz PUTDDCWUBYVICH-UHFFFAOYSA-N -1 3 369.856 3.500 20 0 FGADHM CC(C)N(Cc1cccc(Cl)c1)C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820121329 606504500 /nfs/dbraw/zinc/50/45/00/606504500.db2.gz PUTDDCWUBYVICH-UHFFFAOYSA-N -1 3 369.856 3.500 20 0 FGADHM CC[C@@H]1c2ccsc2CCN1C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821001895 606510017 /nfs/dbraw/zinc/51/00/17/606510017.db2.gz SWSHSCLPBOMGKR-OAHLLOKOSA-N -1 3 353.451 3.007 20 0 FGADHM CC[C@@H]1c2ccsc2CCN1C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821001895 606510019 /nfs/dbraw/zinc/51/00/19/606510019.db2.gz SWSHSCLPBOMGKR-OAHLLOKOSA-N -1 3 353.451 3.007 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1cccc(-c2nccs2)c1 ZINC000823108755 606516157 /nfs/dbraw/zinc/51/61/57/606516157.db2.gz ROAJWJIVWXMWFK-UHFFFAOYSA-N -1 3 362.418 3.171 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1cccc(-c2nccs2)c1 ZINC000823108755 606516159 /nfs/dbraw/zinc/51/61/59/606516159.db2.gz ROAJWJIVWXMWFK-UHFFFAOYSA-N -1 3 362.418 3.171 20 0 FGADHM C[C@@H](NC(=O)N[C@H](C)c1ccc(F)cc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000820372534 606529079 /nfs/dbraw/zinc/52/90/79/606529079.db2.gz ALNZNQNFECGIQE-GHMZBOCLSA-N -1 3 372.379 3.266 20 0 FGADHM C[C@@H](NC(=O)N[C@H](C)c1ccc(F)cc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000820372534 606529080 /nfs/dbraw/zinc/52/90/80/606529080.db2.gz ALNZNQNFECGIQE-GHMZBOCLSA-N -1 3 372.379 3.266 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1cccc(N2CCCCC2)c1 ZINC000823109073 606532015 /nfs/dbraw/zinc/53/20/15/606532015.db2.gz XHEUTYNHVITJDK-UHFFFAOYSA-N -1 3 362.437 3.038 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1cccc(N2CCCCC2)c1 ZINC000823109073 606532016 /nfs/dbraw/zinc/53/20/16/606532016.db2.gz XHEUTYNHVITJDK-UHFFFAOYSA-N -1 3 362.437 3.038 20 0 FGADHM CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000821610031 606533945 /nfs/dbraw/zinc/53/39/45/606533945.db2.gz XHQYUUXTOHDTNN-UHFFFAOYSA-N -1 3 367.356 3.219 20 0 FGADHM CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000821610031 606533947 /nfs/dbraw/zinc/53/39/47/606533947.db2.gz XHQYUUXTOHDTNN-UHFFFAOYSA-N -1 3 367.356 3.219 20 0 FGADHM Cc1cc(C)c(C(=O)[C@H](C)OC(=O)c2cc(-c3nnn[n-]3)cs2)cc1C ZINC000822192908 606562897 /nfs/dbraw/zinc/56/28/97/606562897.db2.gz FGYDWDMWNFIFIC-LBPRGKRZSA-N -1 3 370.434 3.282 20 0 FGADHM Cc1cc(C)c(C(=O)[C@H](C)OC(=O)c2cc(-c3nn[n-]n3)cs2)cc1C ZINC000822192908 606562899 /nfs/dbraw/zinc/56/28/99/606562899.db2.gz FGYDWDMWNFIFIC-LBPRGKRZSA-N -1 3 370.434 3.282 20 0 FGADHM CC(=O)c1c(C)cc(C)c(COC(=O)c2cc(-c3nnn[n-]3)cs2)c1C ZINC000819835217 606568402 /nfs/dbraw/zinc/56/84/02/606568402.db2.gz TWSXGPQHGDXSMV-UHFFFAOYSA-N -1 3 370.434 3.413 20 0 FGADHM CC(=O)c1c(C)cc(C)c(COC(=O)c2cc(-c3nn[n-]n3)cs2)c1C ZINC000819835217 606568403 /nfs/dbraw/zinc/56/84/03/606568403.db2.gz TWSXGPQHGDXSMV-UHFFFAOYSA-N -1 3 370.434 3.413 20 0 FGADHM CC[C@@H](NC(=O)Cc1cccc(-c2nnn[n-]2)c1)C(C)(C)c1ccccc1 ZINC000820913247 606571215 /nfs/dbraw/zinc/57/12/15/606571215.db2.gz DRNKFZCHONDWHJ-GOSISDBHSA-N -1 3 363.465 3.282 20 0 FGADHM CC[C@@H](NC(=O)Cc1cccc(-c2nn[n-]n2)c1)C(C)(C)c1ccccc1 ZINC000820913247 606571217 /nfs/dbraw/zinc/57/12/17/606571217.db2.gz DRNKFZCHONDWHJ-GOSISDBHSA-N -1 3 363.465 3.282 20 0 FGADHM Cc1cccc([C@@H]2CCCN2C(=O)Cc2cccc(-c3nnn[n-]3)c2)c1C ZINC000822299595 606571922 /nfs/dbraw/zinc/57/19/22/606571922.db2.gz OFYVRTOYRFRXOL-IBGZPJMESA-N -1 3 361.449 3.390 20 0 FGADHM Cc1cccc([C@@H]2CCCN2C(=O)Cc2cccc(-c3nn[n-]n3)c2)c1C ZINC000822299595 606571923 /nfs/dbraw/zinc/57/19/23/606571923.db2.gz OFYVRTOYRFRXOL-IBGZPJMESA-N -1 3 361.449 3.390 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCc2c(F)ccc(F)c2C1 ZINC000822217420 606574938 /nfs/dbraw/zinc/57/49/38/606574938.db2.gz DBUGOBMIKSETJG-UHFFFAOYSA-N -1 3 370.363 3.044 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCc2c(F)ccc(F)c2C1 ZINC000822217420 606574940 /nfs/dbraw/zinc/57/49/40/606574940.db2.gz DBUGOBMIKSETJG-UHFFFAOYSA-N -1 3 370.363 3.044 20 0 FGADHM FC(F)Oc1cc(-c2nnn[n-]2)ccc1Cn1ccc(-c2ccccc2)n1 ZINC000822731225 606595271 /nfs/dbraw/zinc/59/52/71/606595271.db2.gz ANWZUOKPOHODEZ-UHFFFAOYSA-N -1 3 368.347 3.380 20 0 FGADHM FC(F)Oc1cc(-c2nn[n-]n2)ccc1Cn1ccc(-c2ccccc2)n1 ZINC000822731225 606595272 /nfs/dbraw/zinc/59/52/72/606595272.db2.gz ANWZUOKPOHODEZ-UHFFFAOYSA-N -1 3 368.347 3.380 20 0 FGADHM COc1cccc([C@@H](C)CC(=O)Nc2cc(-c3nnn[n-]3)ccc2C)c1 ZINC000821860262 606602904 /nfs/dbraw/zinc/60/29/04/606602904.db2.gz ZTHLHBAWLTZWGA-ZDUSSCGKSA-N -1 3 351.410 3.316 20 0 FGADHM COc1cccc([C@@H](C)CC(=O)Nc2cc(-c3nn[n-]n3)ccc2C)c1 ZINC000821860262 606602905 /nfs/dbraw/zinc/60/29/05/606602905.db2.gz ZTHLHBAWLTZWGA-ZDUSSCGKSA-N -1 3 351.410 3.316 20 0 FGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc(Cl)cn1 ZINC000820120577 606612136 /nfs/dbraw/zinc/61/21/36/606612136.db2.gz FDMLMGBFMPSHBX-UHFFFAOYSA-N -1 3 371.832 3.358 20 0 FGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc(Cl)cn1 ZINC000820120577 606612138 /nfs/dbraw/zinc/61/21/38/606612138.db2.gz FDMLMGBFMPSHBX-UHFFFAOYSA-N -1 3 371.832 3.358 20 0 FGADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCC1(C(C)C)CC1 ZINC000820087739 606613671 /nfs/dbraw/zinc/61/36/71/606613671.db2.gz YQWVBHYZCSNJHD-UHFFFAOYSA-N -1 3 370.501 3.471 20 0 FGADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCC1(C(C)C)CC1 ZINC000820087739 606613672 /nfs/dbraw/zinc/61/36/72/606613672.db2.gz YQWVBHYZCSNJHD-UHFFFAOYSA-N -1 3 370.501 3.471 20 0 FGADHM CC(C)(C)c1nnc(CSc2ccc(Cl)cc2-c2nnn[n-]2)o1 ZINC000819971418 606629639 /nfs/dbraw/zinc/62/96/39/606629639.db2.gz KOJSVHMUWOMGEN-UHFFFAOYSA-N -1 3 350.835 3.493 20 0 FGADHM CC(C)(C)c1nnc(CSc2ccc(Cl)cc2-c2nn[n-]n2)o1 ZINC000819971418 606629641 /nfs/dbraw/zinc/62/96/41/606629641.db2.gz KOJSVHMUWOMGEN-UHFFFAOYSA-N -1 3 350.835 3.493 20 0 FGADHM CC[C@@H](C)Oc1ccc(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000820875921 606631960 /nfs/dbraw/zinc/63/19/60/606631960.db2.gz INAKKKLMVYWNSJ-LLVKDONJSA-N -1 3 355.373 3.435 20 0 FGADHM CC[C@@H](C)Oc1ccc(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000820875921 606631961 /nfs/dbraw/zinc/63/19/61/606631961.db2.gz INAKKKLMVYWNSJ-LLVKDONJSA-N -1 3 355.373 3.435 20 0 FGADHM OC1CCN(c2ccc(NCC3CCCCCC3)cc2-c2nnn[n-]2)CC1 ZINC000823706617 606640449 /nfs/dbraw/zinc/64/04/49/606640449.db2.gz MTMFCHWDAQGOOK-UHFFFAOYSA-N -1 3 370.501 3.210 20 0 FGADHM OC1CCN(c2ccc(NCC3CCCCCC3)cc2-c2nn[n-]n2)CC1 ZINC000823706617 606640450 /nfs/dbraw/zinc/64/04/50/606640450.db2.gz MTMFCHWDAQGOOK-UHFFFAOYSA-N -1 3 370.501 3.210 20 0 FGADHM CC(C)(C)c1nnc(CNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)o1 ZINC000819971688 606656086 /nfs/dbraw/zinc/65/60/86/606656086.db2.gz REAGGTHZRFROQK-UHFFFAOYSA-N -1 3 367.335 3.178 20 0 FGADHM CC(C)(C)c1nnc(CNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)o1 ZINC000819971688 606656087 /nfs/dbraw/zinc/65/60/87/606656087.db2.gz REAGGTHZRFROQK-UHFFFAOYSA-N -1 3 367.335 3.178 20 0 FGADHM C[C@@H](NC(=O)N([C@@H](C)c1ccco1)C1CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820340630 606657890 /nfs/dbraw/zinc/65/78/90/606657890.db2.gz MJCGJPJAQYRATD-OLZOCXBDSA-N -1 3 366.425 3.456 20 0 FGADHM C[C@@H](NC(=O)N([C@@H](C)c1ccco1)C1CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820340630 606657891 /nfs/dbraw/zinc/65/78/91/606657891.db2.gz MJCGJPJAQYRATD-OLZOCXBDSA-N -1 3 366.425 3.456 20 0 FGADHM C[C@H](NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1cccc(Cl)c1 ZINC000820384315 606661959 /nfs/dbraw/zinc/66/19/59/606661959.db2.gz BDUGHXFBQKTYAT-QMMMGPOBSA-N -1 3 363.755 3.289 20 0 FGADHM C[C@H](NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1cccc(Cl)c1 ZINC000820384315 606661960 /nfs/dbraw/zinc/66/19/60/606661960.db2.gz BDUGHXFBQKTYAT-QMMMGPOBSA-N -1 3 363.755 3.289 20 0 FGADHM O=C(N[C@@H]1CCSc2ccccc21)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823162028 606663197 /nfs/dbraw/zinc/66/31/97/606663197.db2.gz SADIWQLDBNUSRK-CYBMUJFWSA-N -1 3 373.388 3.112 20 0 FGADHM O=C(N[C@@H]1CCSc2ccccc21)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823162028 606663198 /nfs/dbraw/zinc/66/31/98/606663198.db2.gz SADIWQLDBNUSRK-CYBMUJFWSA-N -1 3 373.388 3.112 20 0 FGADHM O=C(c1c(F)cc(-c2nnn[n-]2)cc1F)N1CCCCc2ccccc21 ZINC000823453975 606672610 /nfs/dbraw/zinc/67/26/10/606672610.db2.gz HKIOLRTVOQJPKP-UHFFFAOYSA-N -1 3 355.348 3.128 20 0 FGADHM O=C(c1c(F)cc(-c2nn[n-]n2)cc1F)N1CCCCc2ccccc21 ZINC000823453975 606672611 /nfs/dbraw/zinc/67/26/11/606672611.db2.gz HKIOLRTVOQJPKP-UHFFFAOYSA-N -1 3 355.348 3.128 20 0 FGADHM C[C@@]1(C(=O)Nc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)CCCO1 ZINC000820577091 606674340 /nfs/dbraw/zinc/67/43/40/606674340.db2.gz JSCMIFSYYKACCH-IBGZPJMESA-N -1 3 365.393 3.167 20 0 FGADHM C[C@@]1(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)CCCO1 ZINC000820577091 606674341 /nfs/dbraw/zinc/67/43/41/606674341.db2.gz JSCMIFSYYKACCH-IBGZPJMESA-N -1 3 365.393 3.167 20 0 FGADHM C[C@@H](NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)C(C)(C)c1ccccc1 ZINC000820384860 606676556 /nfs/dbraw/zinc/67/65/56/606676556.db2.gz MCPPTGPZQFJKTH-LLVKDONJSA-N -1 3 371.391 3.241 20 0 FGADHM C[C@@H](NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)C(C)(C)c1ccccc1 ZINC000820384860 606676557 /nfs/dbraw/zinc/67/65/57/606676557.db2.gz MCPPTGPZQFJKTH-LLVKDONJSA-N -1 3 371.391 3.241 20 0 FGADHM O=C(Nc1cc(F)ccc1Cl)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823299347 606677176 /nfs/dbraw/zinc/67/71/76/606677176.db2.gz SXVVDIUFRBDSHC-UHFFFAOYSA-N -1 3 353.691 3.190 20 0 FGADHM O=C(Nc1cc(F)ccc1Cl)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823299347 606677177 /nfs/dbraw/zinc/67/71/77/606677177.db2.gz SXVVDIUFRBDSHC-UHFFFAOYSA-N -1 3 353.691 3.190 20 0 FGADHM CCCC[C@H](CCC)CNC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821039182 606686640 /nfs/dbraw/zinc/68/66/40/606686640.db2.gz AWKHXPTZYCAPBJ-NSHDSACASA-N -1 3 351.401 3.481 20 0 FGADHM CCCC[C@H](CCC)CNC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821039182 606686641 /nfs/dbraw/zinc/68/66/41/606686641.db2.gz AWKHXPTZYCAPBJ-NSHDSACASA-N -1 3 351.401 3.481 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N1CC[C@H](c2ccc(F)cc2)C1 ZINC000822928960 606690627 /nfs/dbraw/zinc/69/06/27/606690627.db2.gz OLECFNNBQHEPJM-BJIFSAINSA-N -1 3 363.396 3.035 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N1CC[C@H](c2ccc(F)cc2)C1 ZINC000822928960 606690628 /nfs/dbraw/zinc/69/06/28/606690628.db2.gz OLECFNNBQHEPJM-BJIFSAINSA-N -1 3 363.396 3.035 20 0 FGADHM CC1(C)CN(C(=O)c2sccc2-c2nnn[n-]2)c2ccccc2S1 ZINC000820601672 606693186 /nfs/dbraw/zinc/69/31/86/606693186.db2.gz RLFZYSLWDQDQHH-UHFFFAOYSA-N -1 3 357.464 3.459 20 0 FGADHM CC1(C)CN(C(=O)c2sccc2-c2nn[n-]n2)c2ccccc2S1 ZINC000820601672 606693187 /nfs/dbraw/zinc/69/31/87/606693187.db2.gz RLFZYSLWDQDQHH-UHFFFAOYSA-N -1 3 357.464 3.459 20 0 FGADHM CCc1noc(CC)c1CNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000821558905 606724566 /nfs/dbraw/zinc/72/45/66/606724566.db2.gz KDXXGOJPDAPYQA-UHFFFAOYSA-N -1 3 367.335 3.005 20 0 FGADHM CCc1noc(CC)c1CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000821558905 606724567 /nfs/dbraw/zinc/72/45/67/606724567.db2.gz KDXXGOJPDAPYQA-UHFFFAOYSA-N -1 3 367.335 3.005 20 0 FGADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cn(-c2ccccc2)nn1 ZINC000820455563 606728741 /nfs/dbraw/zinc/72/87/41/606728741.db2.gz JXHQYNYILBPZOU-LLVKDONJSA-N -1 3 366.816 3.274 20 0 FGADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cn(-c2ccccc2)nn1 ZINC000820455563 606728744 /nfs/dbraw/zinc/72/87/44/606728744.db2.gz JXHQYNYILBPZOU-LLVKDONJSA-N -1 3 366.816 3.274 20 0 FGADHM CCC(=O)c1ccc(C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000820843038 606736174 /nfs/dbraw/zinc/73/61/74/606736174.db2.gz SSHIUSOYACDCNX-GFCCVEGCSA-N -1 3 350.378 3.377 20 0 FGADHM CCC(=O)c1ccc(C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000820843038 606736176 /nfs/dbraw/zinc/73/61/76/606736176.db2.gz SSHIUSOYACDCNX-GFCCVEGCSA-N -1 3 350.378 3.377 20 0 FGADHM C[C@@H](CSc1ccc(F)cc1)C(=O)OCc1cccc(-c2nnn[n-]2)c1 ZINC000820294885 606749010 /nfs/dbraw/zinc/74/90/10/606749010.db2.gz WCEOJQABYNUKLY-LBPRGKRZSA-N -1 3 372.425 3.477 20 0 FGADHM C[C@@H](CSc1ccc(F)cc1)C(=O)OCc1cccc(-c2nn[n-]n2)c1 ZINC000820294885 606749011 /nfs/dbraw/zinc/74/90/11/606749011.db2.gz WCEOJQABYNUKLY-LBPRGKRZSA-N -1 3 372.425 3.477 20 0 FGADHM CC(C)(C)c1csc(COC(=O)C=Cc2ccccc2-c2nnn[n-]2)n1 ZINC000819966121 606751669 /nfs/dbraw/zinc/75/16/69/606751669.db2.gz XCIQCSCKYZHTFY-CMDGGOBGSA-N -1 3 369.450 3.377 20 0 FGADHM CC(C)(C)c1csc(COC(=O)C=Cc2ccccc2-c2nn[n-]n2)n1 ZINC000819966121 606751670 /nfs/dbraw/zinc/75/16/70/606751670.db2.gz XCIQCSCKYZHTFY-CMDGGOBGSA-N -1 3 369.450 3.377 20 0 FGADHM CC[C@H]1CCC[C@@H]1NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820981252 606764670 /nfs/dbraw/zinc/76/46/70/606764670.db2.gz PXHGYNLZXDKWNQ-ZANVPECISA-N -1 3 350.879 3.385 20 0 FGADHM CC[C@H]1CCC[C@@H]1NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820981252 606764671 /nfs/dbraw/zinc/76/46/71/606764671.db2.gz PXHGYNLZXDKWNQ-ZANVPECISA-N -1 3 350.879 3.385 20 0 FGADHM CC(C)c1cccc(C(=O)OCCCOc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000820192493 606799200 /nfs/dbraw/zinc/79/92/00/606799200.db2.gz QFRXGAGJGVOLJP-UHFFFAOYSA-N -1 3 367.409 3.011 20 0 FGADHM COc1ccc(OC(F)F)c(CNc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000821839493 606800686 /nfs/dbraw/zinc/80/06/86/606800686.db2.gz VNFIXBNXVFEGOW-UHFFFAOYSA-N -1 3 365.315 3.228 20 0 FGADHM CC(C)c1cccc(C(=O)O[C@@H](C)COc2cccc(-c3nnn[n-]3)c2)n1 ZINC000820292823 606800737 /nfs/dbraw/zinc/80/07/37/606800737.db2.gz HRXHGXYCENTLRR-ZDUSSCGKSA-N -1 3 367.409 3.009 20 0 FGADHM CC(C)c1cccc(C(=O)O[C@@H](C)COc2cccc(-c3nn[n-]n3)c2)n1 ZINC000820292823 606800739 /nfs/dbraw/zinc/80/07/39/606800739.db2.gz HRXHGXYCENTLRR-ZDUSSCGKSA-N -1 3 367.409 3.009 20 0 FGADHM COc1ccccc1N1CC[C@H](Nc2ccc(Cl)cc2-c2nnn[n-]2)C1 ZINC000821897720 606809262 /nfs/dbraw/zinc/80/92/62/606809262.db2.gz JYPBKJWOLXFPHV-ZDUSSCGKSA-N -1 3 370.844 3.220 20 0 FGADHM COc1ccccc1N1CC[C@H](Nc2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC000821897720 606809263 /nfs/dbraw/zinc/80/92/63/606809263.db2.gz JYPBKJWOLXFPHV-ZDUSSCGKSA-N -1 3 370.844 3.220 20 0 FGADHM O=C(NC[C@@H]1CCCS1)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000823175153 606809873 /nfs/dbraw/zinc/80/98/73/606809873.db2.gz BATZXZVSBDCFKD-ZDUSSCGKSA-N -1 3 365.462 3.159 20 0 FGADHM O=C(NC[C@@H]1CCCS1)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000823175153 606809874 /nfs/dbraw/zinc/80/98/74/606809874.db2.gz BATZXZVSBDCFKD-ZDUSSCGKSA-N -1 3 365.462 3.159 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H]1CCC[C@@H]1CC ZINC000821104392 606811519 /nfs/dbraw/zinc/81/15/19/606811519.db2.gz BHGHBLXVMAQJMP-RDJZCZTQSA-N -1 3 356.474 3.367 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H]1CCC[C@@H]1CC ZINC000821104392 606811521 /nfs/dbraw/zinc/81/15/21/606811521.db2.gz BHGHBLXVMAQJMP-RDJZCZTQSA-N -1 3 356.474 3.367 20 0 FGADHM CCc1noc(C)c1CSCCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000821554986 606860206 /nfs/dbraw/zinc/86/02/06/606860206.db2.gz XHDOSPCKPTZTST-UHFFFAOYSA-N -1 3 359.455 3.428 20 0 FGADHM Cc1cc(F)c(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(C)C)cc1F ZINC000822202346 606863003 /nfs/dbraw/zinc/86/30/03/606863003.db2.gz WEPYUMPADQTPIW-UHFFFAOYSA-N -1 3 373.363 3.493 20 0 FGADHM Cc1cc(F)c(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(C)C)cc1F ZINC000822202346 606863004 /nfs/dbraw/zinc/86/30/04/606863004.db2.gz WEPYUMPADQTPIW-UHFFFAOYSA-N -1 3 373.363 3.493 20 0 FGADHM CC[C@@H](SC[C@H](O)COc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000820938862 606874600 /nfs/dbraw/zinc/87/46/00/606874600.db2.gz NXDLRNPWKUOCIJ-SJLPKXTDSA-N -1 3 370.478 3.491 20 0 FGADHM O=C(N[C@H]1CC2(CCC2)Oc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000823146894 606879612 /nfs/dbraw/zinc/87/96/12/606879612.db2.gz ZQODARMQXYFGBS-INIZCTEOSA-N -1 3 361.405 3.043 20 0 FGADHM O=C(N[C@H]1CC2(CCC2)Oc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000823146894 606879614 /nfs/dbraw/zinc/87/96/14/606879614.db2.gz ZQODARMQXYFGBS-INIZCTEOSA-N -1 3 361.405 3.043 20 0 FGADHM O=C(N[C@@H]1CC2(CCC2)Oc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000823144738 606879866 /nfs/dbraw/zinc/87/98/66/606879866.db2.gz KYAJDGSYTRTCQA-MRXNPFEDSA-N -1 3 361.405 3.043 20 0 FGADHM O=C(N[C@@H]1CC2(CCC2)Oc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000823144738 606879868 /nfs/dbraw/zinc/87/98/68/606879868.db2.gz KYAJDGSYTRTCQA-MRXNPFEDSA-N -1 3 361.405 3.043 20 0 FGADHM CCS[C@@H]1CC[C@@H](N(C)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000821446433 606908095 /nfs/dbraw/zinc/90/80/95/606908095.db2.gz AKUYWAQAIKJPMU-VXGBXAGGSA-N -1 3 364.450 3.144 20 0 FGADHM CCS[C@@H]1CC[C@@H](N(C)C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000821446433 606908097 /nfs/dbraw/zinc/90/80/97/606908097.db2.gz AKUYWAQAIKJPMU-VXGBXAGGSA-N -1 3 364.450 3.144 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1cc(Cl)ccc1NC1CC1 ZINC000823104143 606908571 /nfs/dbraw/zinc/90/85/71/606908571.db2.gz SJJIZWPVAQMYRJ-UHFFFAOYSA-N -1 3 368.828 3.276 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1cc(Cl)ccc1NC1CC1 ZINC000823104143 606908573 /nfs/dbraw/zinc/90/85/73/606908573.db2.gz SJJIZWPVAQMYRJ-UHFFFAOYSA-N -1 3 368.828 3.276 20 0 FGADHM C[C@@H](OC(=O)COC/C=C\c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820495619 606920555 /nfs/dbraw/zinc/92/05/55/606920555.db2.gz INAPDSFVVLEDNO-WUKHSURWSA-N -1 3 364.405 3.201 20 0 FGADHM C[C@@H](OC(=O)COC/C=C\c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820495619 606920556 /nfs/dbraw/zinc/92/05/56/606920556.db2.gz INAPDSFVVLEDNO-WUKHSURWSA-N -1 3 364.405 3.201 20 0 FGADHM Cc1ccc([C@H](O)CNc2ccc(C(F)(F)F)cc2-c2nnn[n-]2)cc1 ZINC000822230874 606921303 /nfs/dbraw/zinc/92/13/03/606921303.db2.gz SNORNPPGLAKDPX-OAHLLOKOSA-N -1 3 363.343 3.339 20 0 FGADHM Cc1ccc([C@H](O)CNc2ccc(C(F)(F)F)cc2-c2nn[n-]n2)cc1 ZINC000822230874 606921305 /nfs/dbraw/zinc/92/13/05/606921305.db2.gz SNORNPPGLAKDPX-OAHLLOKOSA-N -1 3 363.343 3.339 20 0 FGADHM CC(C)N(C[C@H](O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)cc1 ZINC000820117117 606921826 /nfs/dbraw/zinc/92/18/26/606921826.db2.gz VVTYBKMNHJUOAS-KRWDZBQOSA-N -1 3 357.845 3.469 20 0 FGADHM CC(C)N(C[C@H](O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)cc1 ZINC000820117117 606921828 /nfs/dbraw/zinc/92/18/28/606921828.db2.gz VVTYBKMNHJUOAS-KRWDZBQOSA-N -1 3 357.845 3.469 20 0 FGADHM CCc1nnc(N[C@H]2CCc3cc(F)ccc32)c(-c2nnn[n-]2)c1CC ZINC000821528010 606923860 /nfs/dbraw/zinc/92/38/60/606923860.db2.gz JEZHNEJWTVMRLY-HNNXBMFYSA-N -1 3 353.405 3.020 20 0 FGADHM CCc1nnc(N[C@H]2CCc3cc(F)ccc32)c(-c2nn[n-]n2)c1CC ZINC000821528010 606923862 /nfs/dbraw/zinc/92/38/62/606923862.db2.gz JEZHNEJWTVMRLY-HNNXBMFYSA-N -1 3 353.405 3.020 20 0 FGADHM Fc1ccc(CNc2cc(Cl)ccc2-n2cccn2)cc1-c1nnn[n-]1 ZINC000822772198 606928323 /nfs/dbraw/zinc/92/83/23/606928323.db2.gz TXQDIKFKBCTMRX-UHFFFAOYSA-N -1 3 369.791 3.457 20 0 FGADHM Fc1ccc(CNc2cc(Cl)ccc2-n2cccn2)cc1-c1nn[n-]n1 ZINC000822772198 606928324 /nfs/dbraw/zinc/92/83/24/606928324.db2.gz TXQDIKFKBCTMRX-UHFFFAOYSA-N -1 3 369.791 3.457 20 0 FGADHM CCc1nnc(N(C)Cc2cc3ccccc3o2)c(-c2nnn[n-]2)c1CC ZINC000821521455 606941435 /nfs/dbraw/zinc/94/14/35/606941435.db2.gz FMJVLWWKVWDFHP-UHFFFAOYSA-N -1 3 363.425 3.164 20 0 FGADHM CCc1nnc(N(C)Cc2cc3ccccc3o2)c(-c2nn[n-]n2)c1CC ZINC000821521455 606941437 /nfs/dbraw/zinc/94/14/37/606941437.db2.gz FMJVLWWKVWDFHP-UHFFFAOYSA-N -1 3 363.425 3.164 20 0 FGADHM O=C(OCCCOc1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)s1 ZINC000823405851 606943067 /nfs/dbraw/zinc/94/30/67/606943067.db2.gz XJEIHTUSUSWWKQ-UHFFFAOYSA-N -1 3 364.814 3.208 20 0 FGADHM O=C(OCCCOc1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)s1 ZINC000823405851 606943068 /nfs/dbraw/zinc/94/30/68/606943068.db2.gz XJEIHTUSUSWWKQ-UHFFFAOYSA-N -1 3 364.814 3.208 20 0 FGADHM CC[C@]1(C)CCN(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)C1 ZINC000820949810 606954981 /nfs/dbraw/zinc/95/49/81/606954981.db2.gz FZXOORVFIWMLGN-MRXNPFEDSA-N -1 3 366.372 3.122 20 0 FGADHM CC[C@]1(C)CCN(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)C1 ZINC000820949810 606954982 /nfs/dbraw/zinc/95/49/82/606954982.db2.gz FZXOORVFIWMLGN-MRXNPFEDSA-N -1 3 366.372 3.122 20 0 FGADHM O=C(COC/C=C/c1ccccc1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000823031938 606957905 /nfs/dbraw/zinc/95/79/05/606957905.db2.gz KMQRDYHUVORACQ-QPJJXVBHSA-N -1 3 369.812 3.189 20 0 FGADHM O=C(COC/C=C/c1ccccc1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000823031938 606957907 /nfs/dbraw/zinc/95/79/07/606957907.db2.gz KMQRDYHUVORACQ-QPJJXVBHSA-N -1 3 369.812 3.189 20 0 FGADHM Cc1ccc(C(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)c(Cl)n1 ZINC000822226285 606959514 /nfs/dbraw/zinc/95/95/14/606959514.db2.gz LCQZCFUOIQPCSV-UHFFFAOYSA-N -1 3 363.208 3.154 20 0 FGADHM Cc1ccc(C(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)c(Cl)n1 ZINC000822226285 606959516 /nfs/dbraw/zinc/95/95/16/606959516.db2.gz LCQZCFUOIQPCSV-UHFFFAOYSA-N -1 3 363.208 3.154 20 0 FGADHM Fc1ccc(CN2CCn3cccc3[C@H]2c2ccccc2)cc1-c1nnn[n-]1 ZINC000822771737 606962531 /nfs/dbraw/zinc/96/25/31/606962531.db2.gz KVYLZYNFUOOYEW-HXUWFJFHSA-N -1 3 374.423 3.413 20 0 FGADHM Fc1ccc(CN2CCn3cccc3[C@H]2c2ccccc2)cc1-c1nn[n-]n1 ZINC000822771737 606962533 /nfs/dbraw/zinc/96/25/33/606962533.db2.gz KVYLZYNFUOOYEW-HXUWFJFHSA-N -1 3 374.423 3.413 20 0 FGADHM CC(C)(C)[C@H](NC(=O)c1ccc(-c2nnn[n-]2)cn1)c1ccc(F)cc1F ZINC000819898747 606965224 /nfs/dbraw/zinc/96/52/24/606965224.db2.gz IMXSOSWTLQOATQ-OAHLLOKOSA-N -1 3 372.379 3.057 20 0 FGADHM CC(C)(C)[C@H](NC(=O)c1ccc(-c2nn[n-]n2)cn1)c1ccc(F)cc1F ZINC000819898747 606965226 /nfs/dbraw/zinc/96/52/26/606965226.db2.gz IMXSOSWTLQOATQ-OAHLLOKOSA-N -1 3 372.379 3.057 20 0 FGADHM C[C@@H](SCc1ccccc1)C(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC000820549842 606972246 /nfs/dbraw/zinc/97/22/46/606972246.db2.gz SFXSJARATNVCPW-CYBMUJFWSA-N -1 3 353.451 3.151 20 0 FGADHM C[C@@H](SCc1ccccc1)C(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC000820549842 606972249 /nfs/dbraw/zinc/97/22/49/606972249.db2.gz SFXSJARATNVCPW-CYBMUJFWSA-N -1 3 353.451 3.151 20 0 FGADHM CCOc1ccccc1CCC(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000821430977 606989707 /nfs/dbraw/zinc/98/97/07/606989707.db2.gz JGVWUZQKGFOMAK-UHFFFAOYSA-N -1 3 370.384 3.081 20 0 FGADHM CCOc1ccccc1CCC(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821430977 606989708 /nfs/dbraw/zinc/98/97/08/606989708.db2.gz JGVWUZQKGFOMAK-UHFFFAOYSA-N -1 3 370.384 3.081 20 0 FGADHM O=C(C[C@H]1CCc2ccccc21)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822945319 607000587 /nfs/dbraw/zinc/00/05/87/607000587.db2.gz BEGDHBHYOVVCML-CQSZACIVSA-N -1 3 352.369 3.169 20 0 FGADHM O=C(C[C@H]1CCc2ccccc21)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822945319 607000589 /nfs/dbraw/zinc/00/05/89/607000589.db2.gz BEGDHBHYOVVCML-CQSZACIVSA-N -1 3 352.369 3.169 20 0 FGADHM Cc1ccccc1Cc1nc(CSc2cccc(-c3nnn[n-]3)c2)no1 ZINC000822361437 607014026 /nfs/dbraw/zinc/01/40/26/607014026.db2.gz BBZPJKZVTHBQBX-UHFFFAOYSA-N -1 3 364.434 3.441 20 0 FGADHM Cc1ccccc1Cc1nc(CSc2cccc(-c3nn[n-]n3)c2)no1 ZINC000822361437 607014027 /nfs/dbraw/zinc/01/40/27/607014027.db2.gz BBZPJKZVTHBQBX-UHFFFAOYSA-N -1 3 364.434 3.441 20 0 FGADHM COc1ccc(-c2cc(COc3cc(-c4nnn[n-]4)ccc3C)on2)cc1 ZINC000821728581 607027790 /nfs/dbraw/zinc/02/77/90/607027790.db2.gz XCCMFBFOCXJXTD-UHFFFAOYSA-N -1 3 363.377 3.418 20 0 FGADHM COc1ccc(-c2cc(COc3cc(-c4nn[n-]n4)ccc3C)on2)cc1 ZINC000821728581 607027791 /nfs/dbraw/zinc/02/77/91/607027791.db2.gz XCCMFBFOCXJXTD-UHFFFAOYSA-N -1 3 363.377 3.418 20 0 FGADHM CC(C)(C)C1CCN(C(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000819991790 607035925 /nfs/dbraw/zinc/03/59/25/607035925.db2.gz LXMKKCNHVFSNHY-UHFFFAOYSA-N -1 3 371.485 3.309 20 0 FGADHM CC(C)(C)C1CCN(C(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000819991790 607035926 /nfs/dbraw/zinc/03/59/26/607035926.db2.gz LXMKKCNHVFSNHY-UHFFFAOYSA-N -1 3 371.485 3.309 20 0 FGADHM C[C@@H]1CC[C@H](CC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)C1 ZINC000820683434 607036047 /nfs/dbraw/zinc/03/60/47/607036047.db2.gz BAQBAIFULGBKFM-ZJUUUORDSA-N -1 3 351.357 3.233 20 0 FGADHM C[C@@H]1CC[C@H](CC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)C1 ZINC000820683434 607036049 /nfs/dbraw/zinc/03/60/49/607036049.db2.gz BAQBAIFULGBKFM-ZJUUUORDSA-N -1 3 351.357 3.233 20 0 FGADHM CC(C)CO[C@H]1CCN(c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)C1 ZINC000820103306 607044268 /nfs/dbraw/zinc/04/42/68/607044268.db2.gz UEQCBBQAWZVWSD-LBPRGKRZSA-N -1 3 355.364 3.137 20 0 FGADHM CC(C)CO[C@H]1CCN(c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)C1 ZINC000820103306 607044270 /nfs/dbraw/zinc/04/42/70/607044270.db2.gz UEQCBBQAWZVWSD-LBPRGKRZSA-N -1 3 355.364 3.137 20 0 FGADHM C[C@@H](NCc1ccc(-c2nnn[n-]2)cc1F)c1nc2ccccc2s1 ZINC000820427222 607059036 /nfs/dbraw/zinc/05/90/36/607059036.db2.gz QIXVQLNACRKVDN-SNVBAGLBSA-N -1 3 354.414 3.466 20 0 FGADHM C[C@@H](NCc1ccc(-c2nn[n-]n2)cc1F)c1nc2ccccc2s1 ZINC000820427222 607059037 /nfs/dbraw/zinc/05/90/37/607059037.db2.gz QIXVQLNACRKVDN-SNVBAGLBSA-N -1 3 354.414 3.466 20 0 FGADHM O=C(CCc1ccc(Cl)cc1)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000822979211 607077712 /nfs/dbraw/zinc/07/77/12/607077712.db2.gz ZALZHGLKGLLCIM-UHFFFAOYSA-N -1 3 360.776 3.335 20 0 FGADHM O=C(CCc1ccc(Cl)cc1)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000822979211 607077713 /nfs/dbraw/zinc/07/77/13/607077713.db2.gz ZALZHGLKGLLCIM-UHFFFAOYSA-N -1 3 360.776 3.335 20 0 FGADHM CC(=CC(=O)OCc1cc(F)ccc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000819766317 607080224 /nfs/dbraw/zinc/08/02/24/607080224.db2.gz WKXUKBMHZHPIMW-FLIBITNWSA-N -1 3 356.332 3.292 20 0 FGADHM CC(=CC(=O)OCc1cc(F)ccc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000819766317 607080225 /nfs/dbraw/zinc/08/02/25/607080225.db2.gz WKXUKBMHZHPIMW-FLIBITNWSA-N -1 3 356.332 3.292 20 0 FGADHM C[C@H](CC(=O)OCc1cc(F)ccc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000820225258 607084094 /nfs/dbraw/zinc/08/40/94/607084094.db2.gz FCOVOWDZJBDZLH-LLVKDONJSA-N -1 3 358.348 3.382 20 0 FGADHM C[C@H](CC(=O)OCc1cc(F)ccc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000820225258 607084096 /nfs/dbraw/zinc/08/40/96/607084096.db2.gz FCOVOWDZJBDZLH-LLVKDONJSA-N -1 3 358.348 3.382 20 0 FGADHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)[C@@H]1CCSc2ccccc21 ZINC000823413586 607086416 /nfs/dbraw/zinc/08/64/16/607086416.db2.gz KHQJTRLFALKPHC-OAHLLOKOSA-N -1 3 370.409 3.329 20 0 FGADHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)[C@@H]1CCSc2ccccc21 ZINC000823413586 607086418 /nfs/dbraw/zinc/08/64/18/607086418.db2.gz KHQJTRLFALKPHC-OAHLLOKOSA-N -1 3 370.409 3.329 20 0 FGADHM CC[C@H](Cc1ccccc1)N(CC)C(=O)c1sccc1-c1nnn[n-]1 ZINC000820914571 607088873 /nfs/dbraw/zinc/08/88/73/607088873.db2.gz PDHLGSWSFPGHQQ-CQSZACIVSA-N -1 3 355.467 3.412 20 0 FGADHM CC[C@H](Cc1ccccc1)N(CC)C(=O)c1sccc1-c1nn[n-]n1 ZINC000820914571 607088874 /nfs/dbraw/zinc/08/88/74/607088874.db2.gz PDHLGSWSFPGHQQ-CQSZACIVSA-N -1 3 355.467 3.412 20 0 FGADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CCc1ccc(F)cc1 ZINC000821304594 607102146 /nfs/dbraw/zinc/10/21/46/607102146.db2.gz MMJXOEPIGQORRO-UHFFFAOYSA-N -1 3 354.389 3.009 20 0 FGADHM O=C(/C=C\SCc1ccco1)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822922468 607114003 /nfs/dbraw/zinc/11/40/03/607114003.db2.gz GJTMUZDYUKAPBJ-ALCCZGGFSA-N -1 3 360.370 3.089 20 0 FGADHM O=C(/C=C\SCc1ccco1)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822922468 607114004 /nfs/dbraw/zinc/11/40/04/607114004.db2.gz GJTMUZDYUKAPBJ-ALCCZGGFSA-N -1 3 360.370 3.089 20 0 FGADHM Cc1cc(C(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)c(Cl)cc1F ZINC000822168791 607116596 /nfs/dbraw/zinc/11/65/96/607116596.db2.gz SKXJDXMNZYTQTR-UHFFFAOYSA-N -1 3 359.792 3.240 20 0 FGADHM Cc1cc(C(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)c(Cl)cc1F ZINC000822168791 607116598 /nfs/dbraw/zinc/11/65/98/607116598.db2.gz SKXJDXMNZYTQTR-UHFFFAOYSA-N -1 3 359.792 3.240 20 0 FGADHM C[C@@H](c1ccccc1)N(C)C(=O)CNc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820564285 607125713 /nfs/dbraw/zinc/12/57/13/607125713.db2.gz ZHIYNXWAEUFJNF-LBPRGKRZSA-N -1 3 370.844 3.152 20 0 FGADHM CCc1cc(Oc2ccc(-c3nnn[n-]3)cc2F)nc(-c2ccncc2)n1 ZINC000821475901 607128174 /nfs/dbraw/zinc/12/81/74/607128174.db2.gz CGZMOKMLSXKLEQ-UHFFFAOYSA-N -1 3 363.356 3.213 20 0 FGADHM CCc1cc(Oc2ccc(-c3nn[n-]n3)cc2F)nc(-c2ccncc2)n1 ZINC000821475901 607128175 /nfs/dbraw/zinc/12/81/75/607128175.db2.gz CGZMOKMLSXKLEQ-UHFFFAOYSA-N -1 3 363.356 3.213 20 0 FGADHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2N[C@H]1CCCC(F)(F)C1 ZINC000822204582 607130814 /nfs/dbraw/zinc/13/08/14/607130814.db2.gz TYPAQSLBVYJOEN-NSHDSACASA-N -1 3 362.359 3.274 20 0 FGADHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2N[C@H]1CCCC(F)(F)C1 ZINC000822204582 607130816 /nfs/dbraw/zinc/13/08/16/607130816.db2.gz TYPAQSLBVYJOEN-NSHDSACASA-N -1 3 362.359 3.274 20 0 FGADHM c1ccc2nc(N[C@@H]3CCOC4(CCCC4)C3)c(-c3nnn[n-]3)cc2c1 ZINC000823802182 607131992 /nfs/dbraw/zinc/13/19/92/607131992.db2.gz ITEPNLPPHBDZPT-CQSZACIVSA-N -1 3 350.426 3.319 20 0 FGADHM c1ccc2nc(N[C@@H]3CCOC4(CCCC4)C3)c(-c3nn[n-]n3)cc2c1 ZINC000823802182 607131994 /nfs/dbraw/zinc/13/19/94/607131994.db2.gz ITEPNLPPHBDZPT-CQSZACIVSA-N -1 3 350.426 3.319 20 0 FGADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N1CCC[C@@H]1CCC1CCCCC1 ZINC000822627976 607140035 /nfs/dbraw/zinc/14/00/35/607140035.db2.gz RVDZTNSUTIOMRQ-MRXNPFEDSA-N -1 3 356.474 3.170 20 0 FGADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N1CCC[C@@H]1CCC1CCCCC1 ZINC000822627976 607140037 /nfs/dbraw/zinc/14/00/37/607140037.db2.gz RVDZTNSUTIOMRQ-MRXNPFEDSA-N -1 3 356.474 3.170 20 0 FGADHM CCCOc1cc(F)ccc1NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000821128513 607140828 /nfs/dbraw/zinc/14/08/28/607140828.db2.gz WEPHLHCKDAQCCI-JXMROGBWSA-N -1 3 367.384 3.447 20 0 FGADHM CCCOc1cc(F)ccc1NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000821128513 607140830 /nfs/dbraw/zinc/14/08/30/607140830.db2.gz WEPHLHCKDAQCCI-JXMROGBWSA-N -1 3 367.384 3.447 20 0 FGADHM C[C@@H](OC1CCCCCC1)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000820520151 607156820 /nfs/dbraw/zinc/15/68/20/607156820.db2.gz ZVIAJTXDMRFJGN-CYBMUJFWSA-N -1 3 374.489 3.490 20 0 FGADHM C[C@@H](OC1CCCCCC1)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000820520151 607156822 /nfs/dbraw/zinc/15/68/22/607156822.db2.gz ZVIAJTXDMRFJGN-CYBMUJFWSA-N -1 3 374.489 3.490 20 0 FGADHM Cc1cc(C)c(NCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)c(C)c1 ZINC000822194448 607167238 /nfs/dbraw/zinc/16/72/38/607167238.db2.gz XQAYEPLPAOQVTB-UHFFFAOYSA-N -1 3 361.409 3.454 20 0 FGADHM Cc1cc(C)c(NCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)c(C)c1 ZINC000822194448 607167239 /nfs/dbraw/zinc/16/72/39/607167239.db2.gz XQAYEPLPAOQVTB-UHFFFAOYSA-N -1 3 361.409 3.454 20 0 FGADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)N[C@@H]1CC2CCC1CC2 ZINC000822954997 607168160 /nfs/dbraw/zinc/16/81/60/607168160.db2.gz HUVXRQFCXJPSMV-JTTJXQCZSA-N -1 3 369.469 3.111 20 0 FGADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)N[C@@H]1CC2CCC1CC2 ZINC000822954997 607168161 /nfs/dbraw/zinc/16/81/61/607168161.db2.gz HUVXRQFCXJPSMV-JTTJXQCZSA-N -1 3 369.469 3.111 20 0 FGADHM Cc1cc2ccccc2nc1N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000822212958 607173144 /nfs/dbraw/zinc/17/31/44/607173144.db2.gz OLTUOKUPKKIUEK-UHFFFAOYSA-N -1 3 371.448 3.050 20 0 FGADHM Cc1cc2ccccc2nc1N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000822212958 607173145 /nfs/dbraw/zinc/17/31/45/607173145.db2.gz OLTUOKUPKKIUEK-UHFFFAOYSA-N -1 3 371.448 3.050 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N[C@H]1C[C@@H]1c1ccccc1 ZINC000823318345 607195960 /nfs/dbraw/zinc/19/59/60/607195960.db2.gz CSCSJCUVHIRMRI-DOMZBBRYSA-N -1 3 354.801 3.198 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N[C@H]1C[C@@H]1c1ccccc1 ZINC000823318345 607195961 /nfs/dbraw/zinc/19/59/61/607195961.db2.gz CSCSJCUVHIRMRI-DOMZBBRYSA-N -1 3 354.801 3.198 20 0 FGADHM O=C(NCCCc1cccc(F)c1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823197323 607196002 /nfs/dbraw/zinc/19/60/02/607196002.db2.gz QKADYEVNFYGKDE-UHFFFAOYSA-N -1 3 374.807 3.414 20 0 FGADHM O=C(NCCCc1cccc(F)c1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823197323 607196003 /nfs/dbraw/zinc/19/60/03/607196003.db2.gz QKADYEVNFYGKDE-UHFFFAOYSA-N -1 3 374.807 3.414 20 0 FGADHM C[C@@H](c1ccccn1)N(C)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820570697 607196546 /nfs/dbraw/zinc/19/65/46/607196546.db2.gz PGSGRIUKXFICSA-JTQLQIEISA-N -1 3 357.805 3.140 20 0 FGADHM C[C@@H](c1ccccn1)N(C)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820570697 607196547 /nfs/dbraw/zinc/19/65/47/607196547.db2.gz PGSGRIUKXFICSA-JTQLQIEISA-N -1 3 357.805 3.140 20 0 FGADHM O=C(NCc1ccc(Cl)cc1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823249641 607198504 /nfs/dbraw/zinc/19/85/04/607198504.db2.gz FCRXRPSGBQHHBA-UHFFFAOYSA-N -1 3 363.208 3.495 20 0 FGADHM O=C(NCc1ccc(Cl)cc1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823249641 607198505 /nfs/dbraw/zinc/19/85/05/607198505.db2.gz FCRXRPSGBQHHBA-UHFFFAOYSA-N -1 3 363.208 3.495 20 0 FGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H]1CC2CCC1CC2 ZINC000820116877 607213982 /nfs/dbraw/zinc/21/39/82/607213982.db2.gz QSGBUSFDZKFXHQ-PVARCSIZSA-N -1 3 368.485 3.365 20 0 FGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H]1CC2CCC1CC2 ZINC000820116877 607213983 /nfs/dbraw/zinc/21/39/83/607213983.db2.gz QSGBUSFDZKFXHQ-PVARCSIZSA-N -1 3 368.485 3.365 20 0 FGADHM O=C(c1cc(-c2nnn[n-]2)cs1)N1CCCCC[C@H]1[C@H]1CCCCC1=O ZINC000823525411 607222520 /nfs/dbraw/zinc/22/25/20/607222520.db2.gz MXISTRXTEKNKAJ-KGLIPLIRSA-N -1 3 373.482 3.072 20 0 FGADHM O=C(c1cc(-c2nn[n-]n2)cs1)N1CCCCC[C@H]1[C@H]1CCCCC1=O ZINC000823525411 607222521 /nfs/dbraw/zinc/22/25/21/607222521.db2.gz MXISTRXTEKNKAJ-KGLIPLIRSA-N -1 3 373.482 3.072 20 0 FGADHM CCc1cc(C)c(C(=O)Oc2c(Cl)cc(-c3nnn[n-]3)cc2OC)o1 ZINC000821470682 607235556 /nfs/dbraw/zinc/23/55/56/607235556.db2.gz RXLVGVRGSYLZFB-UHFFFAOYSA-N -1 3 362.773 3.212 20 0 FGADHM CCc1cc(C)c(C(=O)Oc2c(Cl)cc(-c3nn[n-]n3)cc2OC)o1 ZINC000821470682 607235557 /nfs/dbraw/zinc/23/55/57/607235557.db2.gz RXLVGVRGSYLZFB-UHFFFAOYSA-N -1 3 362.773 3.212 20 0 FGADHM O=C(Cc1cc(F)c(F)cc1F)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823074746 607243031 /nfs/dbraw/zinc/24/30/31/607243031.db2.gz UOFMKIHPVTUVIA-UHFFFAOYSA-N -1 3 367.718 3.119 20 0 FGADHM O=C(Cc1cc(F)c(F)cc1F)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823074746 607243032 /nfs/dbraw/zinc/24/30/32/607243032.db2.gz UOFMKIHPVTUVIA-UHFFFAOYSA-N -1 3 367.718 3.119 20 0 FGADHM O=C(CCc1cc(Cl)cs1)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000822974362 607244766 /nfs/dbraw/zinc/24/47/66/607244766.db2.gz IZEAIMTXPGARNJ-UHFFFAOYSA-N -1 3 352.778 3.259 20 0 FGADHM O=C(CCc1cc(Cl)cs1)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000822974362 607244767 /nfs/dbraw/zinc/24/47/67/607244767.db2.gz IZEAIMTXPGARNJ-UHFFFAOYSA-N -1 3 352.778 3.259 20 0 FGADHM CCCc1c(C(=O)Oc2ccc(-c3nnn[n-]3)cc2F)[nH]c(C)c1C(C)=O ZINC000821139283 607245821 /nfs/dbraw/zinc/24/58/21/607245821.db2.gz RYTARQUZGLQNPL-UHFFFAOYSA-N -1 3 371.372 3.017 20 0 FGADHM CCCc1c(C(=O)Oc2ccc(-c3nn[n-]n3)cc2F)[nH]c(C)c1C(C)=O ZINC000821139283 607245822 /nfs/dbraw/zinc/24/58/22/607245822.db2.gz RYTARQUZGLQNPL-UHFFFAOYSA-N -1 3 371.372 3.017 20 0 FGADHM COc1ccc(CSCc2nc(C3CCCC3)no2)cc1-c1nnn[n-]1 ZINC000826207745 607785686 /nfs/dbraw/zinc/78/56/86/607785686.db2.gz BEMWAKPHXPOFKU-UHFFFAOYSA-N -1 3 372.454 3.349 20 0 FGADHM COc1ccc(CSCc2nc(C3CCCC3)no2)cc1-c1nn[n-]n1 ZINC000826207745 607785687 /nfs/dbraw/zinc/78/56/87/607785687.db2.gz BEMWAKPHXPOFKU-UHFFFAOYSA-N -1 3 372.454 3.349 20 0 FGADHM CCCN(CC)c1ccc(C(=O)N(C)c2ccccc2-c2nnn[n-]2)cc1 ZINC000825307543 607790563 /nfs/dbraw/zinc/79/05/63/607790563.db2.gz DNYINRCDRQCJDM-UHFFFAOYSA-N -1 3 364.453 3.380 20 0 FGADHM CCCN(CC)c1ccc(C(=O)N(C)c2ccccc2-c2nn[n-]n2)cc1 ZINC000825307543 607790564 /nfs/dbraw/zinc/79/05/64/607790564.db2.gz DNYINRCDRQCJDM-UHFFFAOYSA-N -1 3 364.453 3.380 20 0 FGADHM CC(C)COc1ccc(CC(=O)N(C)c2ccccc2-c2nnn[n-]2)cc1 ZINC000824270339 607790578 /nfs/dbraw/zinc/79/05/78/607790578.db2.gz BTXOKZSXKVFRTA-UHFFFAOYSA-N -1 3 365.437 3.107 20 0 FGADHM CC(C)COc1ccc(CC(=O)N(C)c2ccccc2-c2nn[n-]n2)cc1 ZINC000824270339 607790579 /nfs/dbraw/zinc/79/05/79/607790579.db2.gz BTXOKZSXKVFRTA-UHFFFAOYSA-N -1 3 365.437 3.107 20 0 FGADHM C[C@H](NC(=O)NCC(C)(C)C1CCCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000824498141 607793747 /nfs/dbraw/zinc/79/37/47/607793747.db2.gz CFQWTPVWWLNUTM-ZDUSSCGKSA-N -1 3 356.474 3.443 20 0 FGADHM C[C@H](NC(=O)NCC(C)(C)C1CCCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000824498141 607793748 /nfs/dbraw/zinc/79/37/48/607793748.db2.gz CFQWTPVWWLNUTM-ZDUSSCGKSA-N -1 3 356.474 3.443 20 0 FGADHM Cc1cc(Oc2ncccc2-c2nnn[n-]2)ccc1NC(=O)[C@H]1CC1(C)C ZINC000826271987 607794094 /nfs/dbraw/zinc/79/40/94/607794094.db2.gz PZGVARIDURAYDE-CQSZACIVSA-N -1 3 364.409 3.347 20 0 FGADHM CCOc1ccccc1CCC(=O)N(CC)c1ccc(-c2nnn[n-]2)cc1 ZINC000825653350 607797854 /nfs/dbraw/zinc/79/78/54/607797854.db2.gz BIJJROVWWMTFJL-UHFFFAOYSA-N -1 3 365.437 3.251 20 0 FGADHM CCOc1ccccc1CCC(=O)N(CC)c1ccc(-c2nn[n-]n2)cc1 ZINC000825653350 607797855 /nfs/dbraw/zinc/79/78/55/607797855.db2.gz BIJJROVWWMTFJL-UHFFFAOYSA-N -1 3 365.437 3.251 20 0 FGADHM CCN(C(=O)[C@@H]1CSc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367076 607799705 /nfs/dbraw/zinc/79/97/05/607799705.db2.gz IXBXKPPQFYMFQB-OAHLLOKOSA-N -1 3 351.435 3.109 20 0 FGADHM CCN(C(=O)[C@@H]1CSc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367076 607799706 /nfs/dbraw/zinc/79/97/06/607799706.db2.gz IXBXKPPQFYMFQB-OAHLLOKOSA-N -1 3 351.435 3.109 20 0 FGADHM CCN(C(=O)C[C@@H]1CCOc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367340 607799926 /nfs/dbraw/zinc/79/99/26/607799926.db2.gz NOVNYFRFBLMRAG-HNNXBMFYSA-N -1 3 363.421 3.176 20 0 FGADHM CCN(C(=O)C[C@@H]1CCOc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367340 607799927 /nfs/dbraw/zinc/79/99/27/607799927.db2.gz NOVNYFRFBLMRAG-HNNXBMFYSA-N -1 3 363.421 3.176 20 0 FGADHM C[C@@H](Cc1ccccc1Cl)C(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000824457094 607815838 /nfs/dbraw/zinc/81/58/38/607815838.db2.gz DZVXKUYNONNMNC-ZDUSSCGKSA-N -1 3 369.856 3.357 20 0 FGADHM C[C@@H](Cc1ccccc1Cl)C(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000824457094 607815839 /nfs/dbraw/zinc/81/58/39/607815839.db2.gz DZVXKUYNONNMNC-ZDUSSCGKSA-N -1 3 369.856 3.357 20 0 FGADHM COCC[C@@H](C)OC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000826154080 607836624 /nfs/dbraw/zinc/83/66/24/607836624.db2.gz HRZRFJFLFILTKB-CYBMUJFWSA-N -1 3 352.394 3.116 20 0 FGADHM COCC[C@@H](C)OC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000826154080 607836625 /nfs/dbraw/zinc/83/66/25/607836625.db2.gz HRZRFJFLFILTKB-CYBMUJFWSA-N -1 3 352.394 3.116 20 0 FGADHM Cc1cc2ncn(CN(C)c3ccc(-c4nn[n-]n4)cc3F)c2cc1C ZINC000826273162 607848466 /nfs/dbraw/zinc/84/84/66/607848466.db2.gz RXTMGAKXCKAXGA-UHFFFAOYSA-N -1 3 351.389 3.066 20 0 FGADHM CCN(C(=O)c1ccccc1OC)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825385417 607877973 /nfs/dbraw/zinc/87/79/73/607877973.db2.gz FEYUTMZLVFGDPZ-UHFFFAOYSA-N -1 3 357.801 3.195 20 0 FGADHM CCN(C(=O)c1ccccc1OC)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825385417 607877974 /nfs/dbraw/zinc/87/79/74/607877974.db2.gz FEYUTMZLVFGDPZ-UHFFFAOYSA-N -1 3 357.801 3.195 20 0 FGADHM Cc1ccnc(CNc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)n1 ZINC000826308519 607880829 /nfs/dbraw/zinc/88/08/29/607880829.db2.gz CXXCYFGWGSCOAC-UHFFFAOYSA-N -1 3 359.393 3.370 20 0 FGADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000825958471 607881356 /nfs/dbraw/zinc/88/13/56/607881356.db2.gz XVVYFPSCIOVHNR-CGTJXYLNSA-N -1 3 353.470 3.432 20 0 FGADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000825958471 607881357 /nfs/dbraw/zinc/88/13/57/607881357.db2.gz XVVYFPSCIOVHNR-CGTJXYLNSA-N -1 3 353.470 3.432 20 0 FGADHM Fc1ccc(N2CCC[C@H]2Cn2cnc3ccccc32)c(-c2nnn[n-]2)c1 ZINC000826375222 607905561 /nfs/dbraw/zinc/90/55/61/607905561.db2.gz DLPHSMJIRQZGES-AWEZNQCLSA-N -1 3 363.400 3.025 20 0 FGADHM Fc1ccc(N2CCC[C@H]2Cn2cnc3ccccc32)c(-c2nn[n-]n2)c1 ZINC000826375222 607905562 /nfs/dbraw/zinc/90/55/62/607905562.db2.gz DLPHSMJIRQZGES-AWEZNQCLSA-N -1 3 363.400 3.025 20 0 FGADHM CCCC[C@H](CC)CNC(=S)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000825259718 607930198 /nfs/dbraw/zinc/93/01/98/607930198.db2.gz KKQRJLBNHSIUKT-ZDUSSCGKSA-N -1 3 358.515 3.320 20 0 FGADHM CCCC[C@H](CC)CNC(=S)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000825259718 607930199 /nfs/dbraw/zinc/93/01/99/607930199.db2.gz KKQRJLBNHSIUKT-ZDUSSCGKSA-N -1 3 358.515 3.320 20 0 FGADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1CCc2c(F)cccc2C1 ZINC000826304394 607937065 /nfs/dbraw/zinc/93/70/65/607937065.db2.gz JOBNUYXWQMIPIC-UHFFFAOYSA-N -1 3 360.396 3.425 20 0 FGADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N1CCc2c(F)cccc2C1 ZINC000826304394 607937066 /nfs/dbraw/zinc/93/70/66/607937066.db2.gz JOBNUYXWQMIPIC-UHFFFAOYSA-N -1 3 360.396 3.425 20 0 FGADHM O=C(CCc1cc(Cl)cs1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826408051 607946571 /nfs/dbraw/zinc/94/65/71/607946571.db2.gz NOZGJTYUVYNPTH-UHFFFAOYSA-N -1 3 359.842 3.104 20 0 FGADHM O=C(CCc1cc(Cl)cs1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826408051 607946572 /nfs/dbraw/zinc/94/65/72/607946572.db2.gz NOZGJTYUVYNPTH-UHFFFAOYSA-N -1 3 359.842 3.104 20 0 FGADHM O=C(CCc1cccc(Cl)c1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826409352 607948209 /nfs/dbraw/zinc/94/82/09/607948209.db2.gz TYOFZVIZUXJPRL-UHFFFAOYSA-N -1 3 353.813 3.042 20 0 FGADHM O=C(CCc1cccc(Cl)c1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826409352 607948210 /nfs/dbraw/zinc/94/82/10/607948210.db2.gz TYOFZVIZUXJPRL-UHFFFAOYSA-N -1 3 353.813 3.042 20 0 FGADHM O=C(Cc1ccc(Cl)cc1Cl)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826422693 607948287 /nfs/dbraw/zinc/94/82/87/607948287.db2.gz IPQSFFDVXOFFGK-UHFFFAOYSA-N -1 3 374.231 3.305 20 0 FGADHM O=C(Cc1ccc(Cl)cc1Cl)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826422693 607948288 /nfs/dbraw/zinc/94/82/88/607948288.db2.gz IPQSFFDVXOFFGK-UHFFFAOYSA-N -1 3 374.231 3.305 20 0 FGADHM CCCc1cc(C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)sc1C ZINC000825348141 607951563 /nfs/dbraw/zinc/95/15/63/607951563.db2.gz DEAPKGSIQIXABS-UHFFFAOYSA-N -1 3 353.451 3.392 20 0 FGADHM CCCc1cc(C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)sc1C ZINC000825348141 607951564 /nfs/dbraw/zinc/95/15/64/607951564.db2.gz DEAPKGSIQIXABS-UHFFFAOYSA-N -1 3 353.451 3.392 20 0 FGADHM O=C(c1cc(Cl)sc1Cl)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826470043 607954390 /nfs/dbraw/zinc/95/43/90/607954390.db2.gz ADSVSIWNBAAZRN-UHFFFAOYSA-N -1 3 366.233 3.438 20 0 FGADHM O=C(c1cc(Cl)sc1Cl)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826470043 607954391 /nfs/dbraw/zinc/95/43/91/607954391.db2.gz ADSVSIWNBAAZRN-UHFFFAOYSA-N -1 3 366.233 3.438 20 0 FGADHM C[C@@H](CCc1cccc(F)c1)C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000824405905 607954731 /nfs/dbraw/zinc/95/47/31/607954731.db2.gz BBPACQVKGLVZHC-ZDUSSCGKSA-N -1 3 365.412 3.164 20 0 FGADHM C[C@@H](CCc1cccc(F)c1)C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000824405905 607954732 /nfs/dbraw/zinc/95/47/32/607954732.db2.gz BBPACQVKGLVZHC-ZDUSSCGKSA-N -1 3 365.412 3.164 20 0 FGADHM O=C(c1ccccc1OC1CCC1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826474639 607955663 /nfs/dbraw/zinc/95/56/63/607955663.db2.gz YSBLRLXAOONZJX-UHFFFAOYSA-N -1 3 361.405 3.001 20 0 FGADHM O=C(c1ccccc1OC1CCC1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826474639 607955664 /nfs/dbraw/zinc/95/56/64/607955664.db2.gz YSBLRLXAOONZJX-UHFFFAOYSA-N -1 3 361.405 3.001 20 0 FGADHM O=C(CSCc1csc(C2CC2)n1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000826420394 607985075 /nfs/dbraw/zinc/98/50/75/607985075.db2.gz KUYLACVOZSYMOD-UHFFFAOYSA-N -1 3 372.479 3.073 20 0 FGADHM O=C(CSCc1csc(C2CC2)n1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000826420394 607985076 /nfs/dbraw/zinc/98/50/76/607985076.db2.gz KUYLACVOZSYMOD-UHFFFAOYSA-N -1 3 372.479 3.073 20 0 FGADHM C[C@H](NC(=O)c1cnc2ccc(F)cc2c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824520917 607986256 /nfs/dbraw/zinc/98/62/56/607986256.db2.gz FXEGKGKCFHOZIY-NSHDSACASA-N -1 3 362.368 3.045 20 0 FGADHM C[C@H](NC(=O)c1cnc2ccc(F)cc2c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824520917 607986257 /nfs/dbraw/zinc/98/62/57/607986257.db2.gz FXEGKGKCFHOZIY-NSHDSACASA-N -1 3 362.368 3.045 20 0 FGADHM CN(Cc1cccs1)c1ccc(-c2nn[n-]n2)cc1Br ZINC000825986360 607987877 /nfs/dbraw/zinc/98/78/77/607987877.db2.gz ZXHUJLHATACRKW-UHFFFAOYSA-N -1 3 350.245 3.327 20 0 FGADHM CSCC[C@H](C)N(C)c1ccc(-c2nn[n-]n2)cc1Br ZINC000826228111 607991113 /nfs/dbraw/zinc/99/11/13/607991113.db2.gz FDOLJRZKJPSTRO-VIFPVBQESA-N -1 3 356.293 3.207 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)c1cnc2ccc(F)cc2c1 ZINC000826254613 607993535 /nfs/dbraw/zinc/99/35/35/607993535.db2.gz TVUNVMGDNKTXID-UHFFFAOYSA-N -1 3 363.352 3.219 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)c1cnc2ccc(F)cc2c1 ZINC000826254613 607993536 /nfs/dbraw/zinc/99/35/36/607993536.db2.gz TVUNVMGDNKTXID-UHFFFAOYSA-N -1 3 363.352 3.219 20 0 FGADHM COc1ccc(C[C@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000826190636 607999989 /nfs/dbraw/zinc/99/99/89/607999989.db2.gz IAWTUDSMEHMDRX-NSHDSACASA-N -1 3 371.828 3.346 20 0 FGADHM COc1ccc(C[C@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000826190636 607999990 /nfs/dbraw/zinc/99/99/90/607999990.db2.gz IAWTUDSMEHMDRX-NSHDSACASA-N -1 3 371.828 3.346 20 0 FGADHM O=C(C=Cc1ccc(Cl)nc1)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000826400044 608000478 /nfs/dbraw/zinc/00/04/78/608000478.db2.gz NPZPUYHPDPLXDZ-ALCCZGGFSA-N -1 3 372.841 3.117 20 0 FGADHM O=C(C=Cc1ccc(Cl)nc1)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000826400044 608000479 /nfs/dbraw/zinc/00/04/79/608000479.db2.gz NPZPUYHPDPLXDZ-ALCCZGGFSA-N -1 3 372.841 3.117 20 0 FGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)C1CCC(F)(F)CC1 ZINC000824148165 608003469 /nfs/dbraw/zinc/00/34/69/608003469.db2.gz NWDWDVOJUHGNAT-UHFFFAOYSA-N -1 3 352.389 3.187 20 0 FGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)C1CCC(F)(F)CC1 ZINC000824148165 608003470 /nfs/dbraw/zinc/00/34/70/608003470.db2.gz NWDWDVOJUHGNAT-UHFFFAOYSA-N -1 3 352.389 3.187 20 0 FGADHM CCc1c(C)sc(NC(=O)c2nc(Cl)ccc2F)c1-c1nnn[n-]1 ZINC000825687966 608003865 /nfs/dbraw/zinc/00/38/65/608003865.db2.gz OWKAPCCGPPTZKK-UHFFFAOYSA-N -1 3 366.809 3.239 20 0 FGADHM CCc1c(C)sc(NC(=O)c2nc(Cl)ccc2F)c1-c1nn[n-]n1 ZINC000825687966 608003866 /nfs/dbraw/zinc/00/38/66/608003866.db2.gz OWKAPCCGPPTZKK-UHFFFAOYSA-N -1 3 366.809 3.239 20 0 FGADHM C[C@@H](OC(=O)C=Cc1ccc(Cl)nc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824712942 608006092 /nfs/dbraw/zinc/00/60/92/608006092.db2.gz FMOFZGWVRAIUBV-DKSFEKEHSA-N -1 3 355.785 3.233 20 0 FGADHM C[C@@H](OC(=O)C=Cc1ccc(Cl)nc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824712942 608006093 /nfs/dbraw/zinc/00/60/93/608006093.db2.gz FMOFZGWVRAIUBV-DKSFEKEHSA-N -1 3 355.785 3.233 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1NC1CCC(OC(=O)c2ccco2)CC1 ZINC000826255160 608012278 /nfs/dbraw/zinc/01/22/78/608012278.db2.gz OAEPNSNOKBMFRY-UHFFFAOYSA-N -1 3 367.409 3.348 20 0 FGADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H](C)c1ccc[nH]1 ZINC000824255242 608024020 /nfs/dbraw/zinc/02/40/20/608024020.db2.gz DRWVXPPMMDPFKY-CQSZACIVSA-N -1 3 367.457 3.124 20 0 FGADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H](C)c1ccc[nH]1 ZINC000824255242 608024021 /nfs/dbraw/zinc/02/40/21/608024021.db2.gz DRWVXPPMMDPFKY-CQSZACIVSA-N -1 3 367.457 3.124 20 0 FGADHM O=C(Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1)C1SCCS1 ZINC000826468329 608046857 /nfs/dbraw/zinc/04/68/57/608046857.db2.gz LNKSPVKHLXFYPU-UHFFFAOYSA-N -1 3 370.459 3.245 20 0 FGADHM O=C(Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1)C1SCCS1 ZINC000826468329 608046858 /nfs/dbraw/zinc/04/68/58/608046858.db2.gz LNKSPVKHLXFYPU-UHFFFAOYSA-N -1 3 370.459 3.245 20 0 FGADHM Cc1noc(C)c1[C@@H](C)Nc1ccc(-c2nn[n-]n2)cc1Br ZINC000826339016 608050375 /nfs/dbraw/zinc/05/03/75/608050375.db2.gz ONVBEHXFUZWFLU-SSDOTTSWSA-N -1 3 363.219 3.407 20 0 FGADHM CC(C)[C@H]1OCC[C@@H]1CNc1ccc(-c2nn[n-]n2)cc1Br ZINC000824229891 608050624 /nfs/dbraw/zinc/05/06/24/608050624.db2.gz XFHQIZSXJRCVLG-BXUZGUMPSA-N -1 3 366.263 3.102 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OCCOc1ccc(Cl)c(F)c1 ZINC000826176368 608055426 /nfs/dbraw/zinc/05/54/26/608055426.db2.gz LYNARBFILPHSEZ-UHFFFAOYSA-N -1 3 364.764 3.126 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OCCOc1ccc(Cl)c(F)c1 ZINC000826176368 608055427 /nfs/dbraw/zinc/05/54/27/608055427.db2.gz LYNARBFILPHSEZ-UHFFFAOYSA-N -1 3 364.764 3.126 20 0 FGADHM COc1ccc2oc(C(=O)OCc3ccccc3-c3nnn[n-]3)c(C)c2c1 ZINC000826213913 608087022 /nfs/dbraw/zinc/08/70/22/608087022.db2.gz RHYHOGJNVXQBRA-UHFFFAOYSA-N -1 3 364.361 3.287 20 0 FGADHM COc1ccc2oc(C(=O)OCc3ccccc3-c3nn[n-]n3)c(C)c2c1 ZINC000826213913 608087023 /nfs/dbraw/zinc/08/70/23/608087023.db2.gz RHYHOGJNVXQBRA-UHFFFAOYSA-N -1 3 364.361 3.287 20 0 FGADHM COc1ccc(C[C@H](C)CNc2ccc(-c3nn[n-]n3)cc2)cc1OC ZINC000826191505 608099443 /nfs/dbraw/zinc/09/94/43/608099443.db2.gz IJXMQTGYCXQPKP-ZDUSSCGKSA-N -1 3 353.426 3.175 20 0 FGADHM C[C@@H]1CCc2ccccc2[C@H]1NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000824970431 608102472 /nfs/dbraw/zinc/10/24/72/608102472.db2.gz XETKCTQYEWKVKC-UEESLBRASA-N -1 3 359.433 3.320 20 0 FGADHM C[C@@H]1CCc2ccccc2[C@H]1NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000824970431 608102473 /nfs/dbraw/zinc/10/24/73/608102473.db2.gz XETKCTQYEWKVKC-UEESLBRASA-N -1 3 359.433 3.320 20 0 FGADHM CC[C@H](C)n1ncc(NC(=O)c2ccc(-c3nnn[n-]3)cc2)c1C1CC1 ZINC000825082633 608102649 /nfs/dbraw/zinc/10/26/49/608102649.db2.gz UCVGBIAQDWFWPX-NSHDSACASA-N -1 3 351.414 3.164 20 0 FGADHM CC[C@H](C)n1ncc(NC(=O)c2ccc(-c3nn[n-]n3)cc2)c1C1CC1 ZINC000825082633 608102650 /nfs/dbraw/zinc/10/26/50/608102650.db2.gz UCVGBIAQDWFWPX-NSHDSACASA-N -1 3 351.414 3.164 20 0 FGADHM Cc1cc(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)cc(C)c1F ZINC000826257906 608115622 /nfs/dbraw/zinc/11/56/22/608115622.db2.gz SFKZQOXAMXNCNN-UHFFFAOYSA-N -1 3 365.412 3.427 20 0 FGADHM Cc1cc(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)cc(C)c1F ZINC000826257906 608115623 /nfs/dbraw/zinc/11/56/23/608115623.db2.gz SFKZQOXAMXNCNN-UHFFFAOYSA-N -1 3 365.412 3.427 20 0 FGADHM C[C@@H](C[C@H](O)c1ccco1)Nc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000824393277 608123289 /nfs/dbraw/zinc/12/32/89/608123289.db2.gz RFAQIUXPIWASJC-ZANVPECISA-N -1 3 367.331 3.403 20 0 FGADHM Cc1cccc([C@H]2CCN(C(=O)CCc3ccc(-c4nnn[n-]4)cc3)C2)c1 ZINC000826297527 608130574 /nfs/dbraw/zinc/13/05/74/608130574.db2.gz KSRFPOQWBOOZQV-IBGZPJMESA-N -1 3 361.449 3.124 20 0 FGADHM Cc1cccc([C@H]2CCN(C(=O)CCc3ccc(-c4nn[n-]n4)cc3)C2)c1 ZINC000826297527 608130575 /nfs/dbraw/zinc/13/05/75/608130575.db2.gz KSRFPOQWBOOZQV-IBGZPJMESA-N -1 3 361.449 3.124 20 0 FGADHM Cc1cc(C)cc([C@H]2CCN(C(=O)Cc3cccc(-c4nnn[n-]4)c3)C2)c1 ZINC000826264261 608131583 /nfs/dbraw/zinc/13/15/83/608131583.db2.gz HVQVUTHGYXVCKF-SFHVURJKSA-N -1 3 361.449 3.042 20 0 FGADHM Cc1cc(C)cc([C@H]2CCN(C(=O)Cc3cccc(-c4nn[n-]n4)c3)C2)c1 ZINC000826264261 608131584 /nfs/dbraw/zinc/13/15/84/608131584.db2.gz HVQVUTHGYXVCKF-SFHVURJKSA-N -1 3 361.449 3.042 20 0 FGADHM COCCOc1ccc(-c2nnn[n-]2)cc1NCc1cscc1Cl ZINC000826162764 608136587 /nfs/dbraw/zinc/13/65/87/608136587.db2.gz RDHDKIWPCJTPFZ-UHFFFAOYSA-N -1 3 365.846 3.219 20 0 FGADHM COCCOc1ccc(-c2nn[n-]n2)cc1NCc1cscc1Cl ZINC000826162764 608136588 /nfs/dbraw/zinc/13/65/88/608136588.db2.gz RDHDKIWPCJTPFZ-UHFFFAOYSA-N -1 3 365.846 3.219 20 0 FGADHM O=S(=O)(CCC1CC1)Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826484702 608149882 /nfs/dbraw/zinc/14/98/82/608149882.db2.gz MDOXJPXAHTUGOJ-UHFFFAOYSA-N -1 3 370.434 3.042 20 0 FGADHM O=S(=O)(CCC1CC1)Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826484702 608149884 /nfs/dbraw/zinc/14/98/84/608149884.db2.gz MDOXJPXAHTUGOJ-UHFFFAOYSA-N -1 3 370.434 3.042 20 0 FGADHM COc1ccccc1SCC(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826220879 608160026 /nfs/dbraw/zinc/16/00/26/608160026.db2.gz FDVUSEJKKSHBLR-GFCCVEGCSA-N -1 3 370.434 3.272 20 0 FGADHM COc1ccccc1SCC(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826220879 608160027 /nfs/dbraw/zinc/16/00/27/608160027.db2.gz FDVUSEJKKSHBLR-GFCCVEGCSA-N -1 3 370.434 3.272 20 0 FGADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)c1cc(F)c(Cl)cc1F ZINC000826468375 608160367 /nfs/dbraw/zinc/16/03/67/608160367.db2.gz NQEHOMKNVOHCLT-UHFFFAOYSA-N -1 3 354.675 3.157 20 0 FGADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)c1cc(F)c(Cl)cc1F ZINC000826468375 608160369 /nfs/dbraw/zinc/16/03/69/608160369.db2.gz NQEHOMKNVOHCLT-UHFFFAOYSA-N -1 3 354.675 3.157 20 0 FGADHM Cc1ccc(F)c([C@H](C)OC(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)c1 ZINC000826289108 608165269 /nfs/dbraw/zinc/16/52/69/608165269.db2.gz KSJCMLPZCMBXCN-QWHCGFSZSA-N -1 3 370.384 3.386 20 0 FGADHM Cc1ccc(F)c([C@H](C)OC(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)c1 ZINC000826289108 608165270 /nfs/dbraw/zinc/16/52/70/608165270.db2.gz KSJCMLPZCMBXCN-QWHCGFSZSA-N -1 3 370.384 3.386 20 0 FGADHM COc1ccc([C@H](C)OC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1 ZINC000826211696 608168287 /nfs/dbraw/zinc/16/82/87/608168287.db2.gz PTZPCBCOASCSNV-VIFPVBQESA-N -1 3 360.320 3.072 20 0 FGADHM COc1ccc([C@H](C)OC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1 ZINC000826211696 608168289 /nfs/dbraw/zinc/16/82/89/608168289.db2.gz PTZPCBCOASCSNV-VIFPVBQESA-N -1 3 360.320 3.072 20 0 FGADHM CC[C@H](CC(=O)Nc1nc2cc(-c3nnn[n-]3)ccc2n1CC)C(C)C ZINC000825081448 608173389 /nfs/dbraw/zinc/17/33/89/608173389.db2.gz JCSRYIWDRDRYHK-GFCCVEGCSA-N -1 3 355.446 3.247 20 0 FGADHM CC[C@H](CC(=O)Nc1nc2cc(-c3nn[n-]n3)ccc2n1CC)C(C)C ZINC000825081448 608173391 /nfs/dbraw/zinc/17/33/91/608173391.db2.gz JCSRYIWDRDRYHK-GFCCVEGCSA-N -1 3 355.446 3.247 20 0 FGADHM C[C@@H](OC(=O)c1sccc1OC(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000824729972 608182527 /nfs/dbraw/zinc/18/25/27/608182527.db2.gz MBBPBLNDOFGEFU-MRVPVSSYSA-N -1 3 366.349 3.448 20 0 FGADHM C[C@@H](OC(=O)c1sccc1OC(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000824729972 608182528 /nfs/dbraw/zinc/18/25/28/608182528.db2.gz MBBPBLNDOFGEFU-MRVPVSSYSA-N -1 3 366.349 3.448 20 0 FGADHM CCc1c(C(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)cnn1CC(C)C ZINC000825688033 608182556 /nfs/dbraw/zinc/18/25/56/608182556.db2.gz QHNUMMVISJBYBU-CYBMUJFWSA-N -1 3 368.441 3.200 20 0 FGADHM CCc1c(C(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)cnn1CC(C)C ZINC000825688033 608182558 /nfs/dbraw/zinc/18/25/58/608182558.db2.gz QHNUMMVISJBYBU-CYBMUJFWSA-N -1 3 368.441 3.200 20 0 FGADHM C[C@@H](NC(=O)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl)C1CCCC1 ZINC000824507302 608199750 /nfs/dbraw/zinc/19/97/50/608199750.db2.gz WDHGPCXYOIDZBH-MRVPVSSYSA-N -1 3 354.241 3.482 20 0 FGADHM C[C@@H](NC(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl)C1CCCC1 ZINC000824507302 608199751 /nfs/dbraw/zinc/19/97/51/608199751.db2.gz WDHGPCXYOIDZBH-MRVPVSSYSA-N -1 3 354.241 3.482 20 0 FGADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C=C1CCSCC1 ZINC000824255184 608221418 /nfs/dbraw/zinc/22/14/18/608221418.db2.gz BTAIYSSTBCNVRA-UHFFFAOYSA-N -1 3 371.510 3.305 20 0 FGADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C=C1CCSCC1 ZINC000824255184 608221420 /nfs/dbraw/zinc/22/14/20/608221420.db2.gz BTAIYSSTBCNVRA-UHFFFAOYSA-N -1 3 371.510 3.305 20 0 FGADHM Fc1cccc(OCCNc2ccc3cc(-c4nnn[n-]4)ccc3n2)c1 ZINC000826377894 608223677 /nfs/dbraw/zinc/22/36/77/608223677.db2.gz LFFMLWZQDQLOFK-UHFFFAOYSA-N -1 3 350.357 3.045 20 0 FGADHM Fc1cccc(OCCNc2ccc3cc(-c4nn[n-]n4)ccc3n2)c1 ZINC000826377894 608223679 /nfs/dbraw/zinc/22/36/79/608223679.db2.gz LFFMLWZQDQLOFK-UHFFFAOYSA-N -1 3 350.357 3.045 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1CSc1nc2ccccc2n1C ZINC000826173773 608261204 /nfs/dbraw/zinc/26/12/04/608261204.db2.gz UAWZVIXFQNJCRE-UHFFFAOYSA-N -1 3 352.423 3.054 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1CSc1nc2ccccc2n1C ZINC000826173773 608261205 /nfs/dbraw/zinc/26/12/05/608261205.db2.gz UAWZVIXFQNJCRE-UHFFFAOYSA-N -1 3 352.423 3.054 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1COc1ccc(F)c2c1C(=O)C[C@H]2C ZINC000826173139 608262630 /nfs/dbraw/zinc/26/26/30/608262630.db2.gz OMMWJCMBNPDRJK-SNVBAGLBSA-N -1 3 368.368 3.283 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1COc1ccc(F)c2c1C(=O)C[C@H]2C ZINC000826173139 608262632 /nfs/dbraw/zinc/26/26/32/608262632.db2.gz OMMWJCMBNPDRJK-SNVBAGLBSA-N -1 3 368.368 3.283 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)c1ccc(F)c(SC)c1 ZINC000825609847 608266864 /nfs/dbraw/zinc/26/68/64/608266864.db2.gz SSBWSXUQRLJBDH-UHFFFAOYSA-N -1 3 374.397 3.346 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)c1ccc(F)c(SC)c1 ZINC000825609847 608266866 /nfs/dbraw/zinc/26/68/66/608266866.db2.gz SSBWSXUQRLJBDH-UHFFFAOYSA-N -1 3 374.397 3.346 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)c(NCCc2nc3cc(Cl)ccc3s2)n1 ZINC000826276537 608271695 /nfs/dbraw/zinc/27/16/95/608271695.db2.gz KNSBHHNDURGDDY-UHFFFAOYSA-N -1 3 371.857 3.488 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)c(NCCc2nc3cc(Cl)ccc3s2)n1 ZINC000826276537 608271696 /nfs/dbraw/zinc/27/16/96/608271696.db2.gz KNSBHHNDURGDDY-UHFFFAOYSA-N -1 3 371.857 3.488 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)c(NCc2sccc2Br)n1 ZINC000826277427 608280564 /nfs/dbraw/zinc/28/05/64/608280564.db2.gz ULWAIEYOGSLVKU-UHFFFAOYSA-N -1 3 351.233 3.006 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)c(NCc2sccc2Br)n1 ZINC000826277427 608280566 /nfs/dbraw/zinc/28/05/66/608280566.db2.gz ULWAIEYOGSLVKU-UHFFFAOYSA-N -1 3 351.233 3.006 20 0 FGADHM c1noc(C2CC2)c1CSc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC000826526874 608292211 /nfs/dbraw/zinc/29/22/11/608292211.db2.gz QCNIXIMARMUEEG-UHFFFAOYSA-N -1 3 354.439 3.298 20 0 FGADHM c1noc(C2CC2)c1CSc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC000826526874 608292213 /nfs/dbraw/zinc/29/22/13/608292213.db2.gz QCNIXIMARMUEEG-UHFFFAOYSA-N -1 3 354.439 3.298 20 0 FGADHM Cc1c(NC(=O)c2cccc([C@@H]3CCCOC3)c2)cccc1-c1nnn[n-]1 ZINC000826242156 608307800 /nfs/dbraw/zinc/30/78/00/608307800.db2.gz CAUFKJPLYBXNQL-MRXNPFEDSA-N -1 3 363.421 3.321 20 0 FGADHM Cc1c(NC(=O)c2cccc([C@@H]3CCCOC3)c2)cccc1-c1nn[n-]n1 ZINC000826242156 608307802 /nfs/dbraw/zinc/30/78/02/608307802.db2.gz CAUFKJPLYBXNQL-MRXNPFEDSA-N -1 3 363.421 3.321 20 0 FGADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)c1cccc([C@@H]2CCCOC2)c1 ZINC000826468256 608311536 /nfs/dbraw/zinc/31/15/36/608311536.db2.gz IPDQELVYHDXAOF-OAHLLOKOSA-N -1 3 368.368 3.119 20 0 FGADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)c1cccc([C@@H]2CCCOC2)c1 ZINC000826468256 608311539 /nfs/dbraw/zinc/31/15/39/608311539.db2.gz IPDQELVYHDXAOF-OAHLLOKOSA-N -1 3 368.368 3.119 20 0 FGADHM COc1c(C)cc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc1C ZINC000826167321 608342310 /nfs/dbraw/zinc/34/23/10/608342310.db2.gz YJVVLUUIAXTLKZ-UHFFFAOYSA-N -1 3 357.801 3.398 20 0 FGADHM COc1c(C)cc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc1C ZINC000826167321 608342312 /nfs/dbraw/zinc/34/23/12/608342312.db2.gz YJVVLUUIAXTLKZ-UHFFFAOYSA-N -1 3 357.801 3.398 20 0 FGADHM CCN(C(=O)CC[C@@H]1CCCCO1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825372145 608344895 /nfs/dbraw/zinc/34/48/95/608344895.db2.gz RLYNPYXJVASGMQ-ZDUSSCGKSA-N -1 3 363.849 3.222 20 0 FGADHM CCN(C(=O)CC[C@@H]1CCCCO1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825372145 608344896 /nfs/dbraw/zinc/34/48/96/608344896.db2.gz RLYNPYXJVASGMQ-ZDUSSCGKSA-N -1 3 363.849 3.222 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)CCCc1cccs1 ZINC000826171737 608347046 /nfs/dbraw/zinc/34/70/46/608347046.db2.gz WQOJFTQEDHSKAB-UHFFFAOYSA-N -1 3 358.423 3.003 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)CCCc1cccs1 ZINC000826171737 608347048 /nfs/dbraw/zinc/34/70/48/608347048.db2.gz WQOJFTQEDHSKAB-UHFFFAOYSA-N -1 3 358.423 3.003 20 0 FGADHM CCN(C(=O)c1ccnc(SC)c1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825385514 608347198 /nfs/dbraw/zinc/34/71/98/608347198.db2.gz IWXMAKIMZVFHDX-UHFFFAOYSA-N -1 3 374.857 3.304 20 0 FGADHM CCN(C(=O)c1ccnc(SC)c1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825385514 608347200 /nfs/dbraw/zinc/34/72/00/608347200.db2.gz IWXMAKIMZVFHDX-UHFFFAOYSA-N -1 3 374.857 3.304 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1CN1CCc2cccc(F)c2[C@@H]1C ZINC000826170061 608365526 /nfs/dbraw/zinc/36/55/26/608365526.db2.gz NMKBTJOFABYWOS-LBPRGKRZSA-N -1 3 353.401 3.134 20 0 FGADHM Fc1ccc(CN(Cc2ccco2)Cc2cccnc2)c(-c2nnn[n-]2)c1 ZINC000826374345 608382971 /nfs/dbraw/zinc/38/29/71/608382971.db2.gz VZNFEXJCKWBDGM-UHFFFAOYSA-N -1 3 364.384 3.196 20 0 FGADHM Fc1ccc(CN(Cc2ccco2)Cc2cccnc2)c(-c2nn[n-]n2)c1 ZINC000826374345 608382973 /nfs/dbraw/zinc/38/29/73/608382973.db2.gz VZNFEXJCKWBDGM-UHFFFAOYSA-N -1 3 364.384 3.196 20 0 FGADHM C[C@H]1CCC[C@@H](NC(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)C1 ZINC000824927084 608396877 /nfs/dbraw/zinc/39/68/77/608396877.db2.gz MDOQQLRABZJUKN-KBXCAEBGSA-N -1 3 366.469 3.244 20 0 FGADHM C[C@H]1CCC[C@@H](NC(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC000824927084 608396878 /nfs/dbraw/zinc/39/68/78/608396878.db2.gz MDOQQLRABZJUKN-KBXCAEBGSA-N -1 3 366.469 3.244 20 0 FGADHM CC[C@@H](C)[C@H](C)NC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000825059456 608398246 /nfs/dbraw/zinc/39/82/46/608398246.db2.gz FPGYVCLSSDAUSO-KGLIPLIRSA-N -1 3 354.458 3.100 20 0 FGADHM CC[C@@H](C)[C@H](C)NC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825059456 608398248 /nfs/dbraw/zinc/39/82/48/608398248.db2.gz FPGYVCLSSDAUSO-KGLIPLIRSA-N -1 3 354.458 3.100 20 0 FGADHM C[C@@H]1CN(Cc2cccc(-c3nnn[n-]3)c2F)C[C@H](c2ccsc2)O1 ZINC000824984499 608400628 /nfs/dbraw/zinc/40/06/28/608400628.db2.gz KMIROGUPBPUSBI-IAQYHMDHSA-N -1 3 359.430 3.029 20 0 FGADHM C[C@@H]1CN(Cc2cccc(-c3nn[n-]n3)c2F)C[C@H](c2ccsc2)O1 ZINC000824984499 608400630 /nfs/dbraw/zinc/40/06/30/608400630.db2.gz KMIROGUPBPUSBI-IAQYHMDHSA-N -1 3 359.430 3.029 20 0 FGADHM CCC1(CNC(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)CCC1 ZINC000825171005 608418282 /nfs/dbraw/zinc/41/82/82/608418282.db2.gz LMTQMWFDUWRZMM-UHFFFAOYSA-N -1 3 366.469 3.246 20 0 FGADHM CCC1(CNC(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)CCC1 ZINC000825171005 608418283 /nfs/dbraw/zinc/41/82/83/608418283.db2.gz LMTQMWFDUWRZMM-UHFFFAOYSA-N -1 3 366.469 3.246 20 0 FGADHM O=C(CCc1ccc(Cl)cc1)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826408537 608440188 /nfs/dbraw/zinc/44/01/88/608440188.db2.gz KQLNDHNIMUKUHO-UHFFFAOYSA-N -1 3 360.776 3.335 20 0 FGADHM O=C(CCc1ccc(Cl)cc1)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826408537 608440190 /nfs/dbraw/zinc/44/01/90/608440190.db2.gz KQLNDHNIMUKUHO-UHFFFAOYSA-N -1 3 360.776 3.335 20 0 FGADHM COc1ccccc1[C@H](C)CC(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826218455 608446300 /nfs/dbraw/zinc/44/63/00/608446300.db2.gz CKLKKQXJBANHFY-GFCCVEGCSA-N -1 3 370.384 3.251 20 0 FGADHM COc1ccccc1[C@H](C)CC(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826218455 608446301 /nfs/dbraw/zinc/44/63/01/608446301.db2.gz CKLKKQXJBANHFY-GFCCVEGCSA-N -1 3 370.384 3.251 20 0 FGADHM CSc1ccsc1C(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826231346 608447998 /nfs/dbraw/zinc/44/79/98/608447998.db2.gz HOUSKSAECSNWQG-UHFFFAOYSA-N -1 3 350.400 3.146 20 0 FGADHM CSc1ccsc1C(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826231346 608448000 /nfs/dbraw/zinc/44/80/00/608448000.db2.gz HOUSKSAECSNWQG-UHFFFAOYSA-N -1 3 350.400 3.146 20 0 FGADHM CS[C@@H](C(=O)OCc1cccc(-c2nnn[n-]2)c1F)c1ccccc1 ZINC000826224614 608450101 /nfs/dbraw/zinc/45/01/01/608450101.db2.gz IPGTXBMIOXUGJX-OAHLLOKOSA-N -1 3 358.398 3.153 20 0 FGADHM CS[C@@H](C(=O)OCc1cccc(-c2nn[n-]n2)c1F)c1ccccc1 ZINC000826224614 608450103 /nfs/dbraw/zinc/45/01/03/608450103.db2.gz IPGTXBMIOXUGJX-OAHLLOKOSA-N -1 3 358.398 3.153 20 0 FGADHM Cc1ccc(/C=C/CC(=O)OCc2cccc(-c3nnn[n-]3)c2F)cc1 ZINC000826285761 608451195 /nfs/dbraw/zinc/45/11/95/608451195.db2.gz JIMYEKXCHDJAPB-DUXPYHPUSA-N -1 3 352.369 3.461 20 0 FGADHM Cc1ccc(/C=C/CC(=O)OCc2cccc(-c3nn[n-]n3)c2F)cc1 ZINC000826285761 608451197 /nfs/dbraw/zinc/45/11/97/608451197.db2.gz JIMYEKXCHDJAPB-DUXPYHPUSA-N -1 3 352.369 3.461 20 0 FGADHM C[C@@H](OC(=O)CCC(=O)c1cccc(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824715337 608452614 /nfs/dbraw/zinc/45/26/14/608452614.db2.gz RKECEKVABPJERK-GFCCVEGCSA-N -1 3 368.368 3.273 20 0 FGADHM C[C@@H](OC(=O)CCC(=O)c1cccc(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824715337 608452616 /nfs/dbraw/zinc/45/26/16/608452616.db2.gz RKECEKVABPJERK-GFCCVEGCSA-N -1 3 368.368 3.273 20 0 FGADHM c1coc(-c2cc(CN3CC=C(c4ccc(-c5nn[n-]n5)cc4)CC3)no2)c1 ZINC000823867933 608459324 /nfs/dbraw/zinc/45/93/24/608459324.db2.gz KCOBXTFMBWTKKF-UHFFFAOYSA-N -1 3 374.404 3.404 20 0 FGADHM CCCOC(=O)c1ccc(NCc2cccc(-c3nnn[n-]3)c2F)cc1 ZINC000825339365 608478423 /nfs/dbraw/zinc/47/84/23/608478423.db2.gz XSYRRJLVIZPZKV-UHFFFAOYSA-N -1 3 355.373 3.185 20 0 FGADHM CCCOC(=O)c1ccc(NCc2cccc(-c3nn[n-]n3)c2F)cc1 ZINC000825339365 608478425 /nfs/dbraw/zinc/47/84/25/608478425.db2.gz XSYRRJLVIZPZKV-UHFFFAOYSA-N -1 3 355.373 3.185 20 0 FGADHM CC(=O)Nc1ccc(Cl)c(NCc2cccc(-c3nnn[n-]3)c2F)c1 ZINC000823999963 608480409 /nfs/dbraw/zinc/48/04/09/608480409.db2.gz OVTYFTWKAKNLOO-UHFFFAOYSA-N -1 3 360.780 3.230 20 0 FGADHM CC(=O)Nc1ccc(Cl)c(NCc2cccc(-c3nn[n-]n3)c2F)c1 ZINC000823999963 608480410 /nfs/dbraw/zinc/48/04/10/608480410.db2.gz OVTYFTWKAKNLOO-UHFFFAOYSA-N -1 3 360.780 3.230 20 0 FGADHM Cc1ccc([C@@H](C)C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)o1 ZINC000826283204 608481875 /nfs/dbraw/zinc/48/18/75/608481875.db2.gz MTNJZIGUSVDFPJ-CQSZACIVSA-N -1 3 363.421 3.188 20 0 FGADHM Cc1ccc([C@@H](C)C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)o1 ZINC000826283204 608481877 /nfs/dbraw/zinc/48/18/77/608481877.db2.gz MTNJZIGUSVDFPJ-CQSZACIVSA-N -1 3 363.421 3.188 20 0 FGADHM CCc1ccc(NC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1CC ZINC000825711527 608507246 /nfs/dbraw/zinc/50/72/46/608507246.db2.gz DTQXVAHVAYLPNX-UHFFFAOYSA-N -1 3 368.416 3.452 20 0 FGADHM CCc1ccc(NC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1CC ZINC000825711527 608507248 /nfs/dbraw/zinc/50/72/48/608507248.db2.gz DTQXVAHVAYLPNX-UHFFFAOYSA-N -1 3 368.416 3.452 20 0 FGADHM C[C@H](c1ccccc1Cl)N(C)Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000824771659 608523665 /nfs/dbraw/zinc/52/36/65/608523665.db2.gz RZGIVUGMXCSNPH-GFCCVEGCSA-N -1 3 367.844 3.361 20 0 FGADHM C[C@H](c1ccccc1Cl)N(C)Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000824771659 608523667 /nfs/dbraw/zinc/52/36/67/608523667.db2.gz RZGIVUGMXCSNPH-GFCCVEGCSA-N -1 3 367.844 3.361 20 0 FGADHM Fc1ccc(C2(NCc3cccc(-c4nnn[n-]4)c3F)CCC2)c(F)c1 ZINC000826373801 608538585 /nfs/dbraw/zinc/53/85/85/608538585.db2.gz AEAMNRMFTBGMHY-UHFFFAOYSA-N -1 3 359.355 3.453 20 0 FGADHM Fc1ccc(C2(NCc3cccc(-c4nn[n-]n4)c3F)CCC2)c(F)c1 ZINC000826373801 608538587 /nfs/dbraw/zinc/53/85/87/608538587.db2.gz AEAMNRMFTBGMHY-UHFFFAOYSA-N -1 3 359.355 3.453 20 0 FGADHM Clc1ccc([C@@H]2CN(Cc3ccc(-c4nnn[n-]4)s3)CCO2)cc1 ZINC000826351171 608540892 /nfs/dbraw/zinc/54/08/92/608540892.db2.gz ANZFYMIWSUVRAP-AWEZNQCLSA-N -1 3 361.858 3.155 20 0 FGADHM Clc1ccc([C@@H]2CN(Cc3ccc(-c4nn[n-]n4)s3)CCO2)cc1 ZINC000826351171 608540893 /nfs/dbraw/zinc/54/08/93/608540893.db2.gz ANZFYMIWSUVRAP-AWEZNQCLSA-N -1 3 361.858 3.155 20 0 FGADHM O=C(CCC1CCCCC1)Nc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC000826405847 608572473 /nfs/dbraw/zinc/57/24/73/608572473.db2.gz WRKJCCWEXMPGDU-UHFFFAOYSA-N -1 3 354.458 3.440 20 0 FGADHM O=C(CCC1CCCCC1)Nc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC000826405847 608572475 /nfs/dbraw/zinc/57/24/75/608572475.db2.gz WRKJCCWEXMPGDU-UHFFFAOYSA-N -1 3 354.458 3.440 20 0 FGADHM O=C(c1ccc(Cl)c(-c2nnn[n-]2)c1)N1CCC[C@]2(CC=CCC2)C1 ZINC000826472990 608577237 /nfs/dbraw/zinc/57/72/37/608577237.db2.gz FZQHWOZKABDTDP-GOSISDBHSA-N -1 3 357.845 3.483 20 0 FGADHM O=C(c1ccc(Cl)c(-c2nn[n-]n2)c1)N1CCC[C@]2(CC=CCC2)C1 ZINC000826472990 608577239 /nfs/dbraw/zinc/57/72/39/608577239.db2.gz FZQHWOZKABDTDP-GOSISDBHSA-N -1 3 357.845 3.483 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H]1CCc2c1cccc2Cl ZINC000826277316 608584592 /nfs/dbraw/zinc/58/45/92/608584592.db2.gz QNUDDOIMWMQJRV-CQSZACIVSA-N -1 3 353.813 3.497 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1CCc2c1cccc2Cl ZINC000826277316 608584593 /nfs/dbraw/zinc/58/45/93/608584593.db2.gz QNUDDOIMWMQJRV-CQSZACIVSA-N -1 3 353.813 3.497 20 0 FGADHM CC(C)[C@H](O)C1(CNc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)CC1 ZINC000824201036 608586896 /nfs/dbraw/zinc/58/68/96/608586896.db2.gz WYPJVDDMAVBOLY-ZDUSSCGKSA-N -1 3 355.364 3.095 20 0 FGADHM CCC(CC)n1nc(C)cc1C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000825115427 608587055 /nfs/dbraw/zinc/58/70/55/608587055.db2.gz YERVYMTZXHDCLR-UHFFFAOYSA-N -1 3 357.393 3.124 20 0 FGADHM CCC(CC)n1nc(C)cc1C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000825115427 608587057 /nfs/dbraw/zinc/58/70/57/608587057.db2.gz YERVYMTZXHDCLR-UHFFFAOYSA-N -1 3 357.393 3.124 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)[C@H]1CCc2c1cccc2Cl ZINC000826453894 608588583 /nfs/dbraw/zinc/58/85/83/608588583.db2.gz CUMSMDJOOVMYMM-LBPRGKRZSA-N -1 3 357.776 3.328 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)[C@H]1CCc2c1cccc2Cl ZINC000826453894 608588584 /nfs/dbraw/zinc/58/85/84/608588584.db2.gz CUMSMDJOOVMYMM-LBPRGKRZSA-N -1 3 357.776 3.328 20 0 FGADHM CSc1ccc(C)c(NC(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)c1 ZINC000826230150 608592022 /nfs/dbraw/zinc/59/20/22/608592022.db2.gz GZKLGGDDPNDDJR-GFCCVEGCSA-N -1 3 369.450 3.303 20 0 FGADHM CSc1ccc(C)c(NC(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)c1 ZINC000826230150 608592024 /nfs/dbraw/zinc/59/20/24/608592024.db2.gz GZKLGGDDPNDDJR-GFCCVEGCSA-N -1 3 369.450 3.303 20 0 FGADHM O=C(N[C@@H]1CCCOc2cc(Cl)ccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000826430828 608592922 /nfs/dbraw/zinc/59/29/22/608592922.db2.gz LHKOHBMDMQEGCN-OAHLLOKOSA-N -1 3 369.812 3.164 20 0 FGADHM O=C(N[C@@H]1CCCOc2cc(Cl)ccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000826430828 608592925 /nfs/dbraw/zinc/59/29/25/608592925.db2.gz LHKOHBMDMQEGCN-OAHLLOKOSA-N -1 3 369.812 3.164 20 0 FGADHM CCCOc1ccc(NC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000825339151 608607582 /nfs/dbraw/zinc/60/75/82/608607582.db2.gz OYPCWJFFHNZXTB-UHFFFAOYSA-N -1 3 356.361 3.439 20 0 FGADHM CCCOc1ccc(NC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000825339151 608607584 /nfs/dbraw/zinc/60/75/84/608607584.db2.gz OYPCWJFFHNZXTB-UHFFFAOYSA-N -1 3 356.361 3.439 20 0 FGADHM CC(C)Oc1ccc(NC(=O)N2C[C@H](C)CC[C@H]2C)cc1-c1nnn[n-]1 ZINC000824907556 608607661 /nfs/dbraw/zinc/60/76/61/608607661.db2.gz IYCRUAOXTPTOSI-CHWSQXEVSA-N -1 3 358.446 3.306 20 0 FGADHM CC(C)Oc1ccc(NC(=O)N2C[C@H](C)CC[C@H]2C)cc1-c1nn[n-]n1 ZINC000824907556 608607664 /nfs/dbraw/zinc/60/76/64/608607664.db2.gz IYCRUAOXTPTOSI-CHWSQXEVSA-N -1 3 358.446 3.306 20 0 FGADHM CC(C)Oc1ccc(CC[C@H](C)Nc2cnccc2-c2nnn[n-]2)cc1 ZINC000824406523 608776468 /nfs/dbraw/zinc/77/64/68/608776468.db2.gz MCEKXSPXLBRPKX-AWEZNQCLSA-N -1 3 352.442 3.482 20 0 FGADHM CC(C)Oc1ccc(CC[C@H](C)Nc2cnccc2-c2nn[n-]n2)cc1 ZINC000824406523 608776471 /nfs/dbraw/zinc/77/64/71/608776471.db2.gz MCEKXSPXLBRPKX-AWEZNQCLSA-N -1 3 352.442 3.482 20 0 FGADHM COC[C@@H](Nc1ccc(-c2nn[n-]n2)cc1Br)c1ccccc1 ZINC000826151677 608798399 /nfs/dbraw/zinc/79/83/99/608798399.db2.gz HJPUVGCXZHQYCX-OAHLLOKOSA-N -1 3 374.242 3.429 20 0 FGADHM Cc1nc2ccccc2c(SCCOc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826327278 608874790 /nfs/dbraw/zinc/87/47/90/608874790.db2.gz AODWQNYNNAMODJ-UHFFFAOYSA-N -1 3 364.434 3.289 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCC[C@@H]1/C=C\c1ccccc1 ZINC000826245476 609137829 /nfs/dbraw/zinc/13/78/29/609137829.db2.gz ZDCUGSJIBSXBSO-LECLMCCNSA-N -1 3 359.433 3.493 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCC[C@@H]1/C=C\c1ccccc1 ZINC000826245476 609137831 /nfs/dbraw/zinc/13/78/31/609137831.db2.gz ZDCUGSJIBSXBSO-LECLMCCNSA-N -1 3 359.433 3.493 20 0 FGADHM CC[C@@H](C)Oc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)ccn1 ZINC000825075824 609148305 /nfs/dbraw/zinc/14/83/05/609148305.db2.gz QYNYNIJUSKSMCO-SNVBAGLBSA-N -1 3 372.816 3.345 20 0 FGADHM CC[C@@H](C)Oc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)ccn1 ZINC000825075824 609148306 /nfs/dbraw/zinc/14/83/06/609148306.db2.gz QYNYNIJUSKSMCO-SNVBAGLBSA-N -1 3 372.816 3.345 20 0 FGADHM CSc1ccccc1CC(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826230805 609158456 /nfs/dbraw/zinc/15/84/56/609158456.db2.gz KKXDQBBWLPDDQV-UHFFFAOYSA-N -1 3 359.842 3.423 20 0 FGADHM CSc1ccccc1CC(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826230805 609158457 /nfs/dbraw/zinc/15/84/57/609158457.db2.gz KKXDQBBWLPDDQV-UHFFFAOYSA-N -1 3 359.842 3.423 20 0 FGADHM Cc1c(NC(=O)N2C[C@@H](C(F)(F)F)CC[C@H]2C)cccc1-c1nnn[n-]1 ZINC000826241694 609159972 /nfs/dbraw/zinc/15/99/72/609159972.db2.gz LPJAYQKJUVMVME-KOLCDFICSA-N -1 3 368.363 3.370 20 0 FGADHM Cc1c(NC(=O)N2C[C@@H](C(F)(F)F)CC[C@H]2C)cccc1-c1nn[n-]n1 ZINC000826241694 609159973 /nfs/dbraw/zinc/15/99/73/609159973.db2.gz LPJAYQKJUVMVME-KOLCDFICSA-N -1 3 368.363 3.370 20 0 FGADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)c2cncc(C)c2)c1-c1nnn[n-]1 ZINC000826319365 609166383 /nfs/dbraw/zinc/16/63/83/609166383.db2.gz ZFIYYHRIDYMTPE-UHFFFAOYSA-N -1 3 373.420 3.230 20 0 FGADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)c2cncc(C)c2)c1-c1nn[n-]n1 ZINC000826319365 609166384 /nfs/dbraw/zinc/16/63/84/609166384.db2.gz ZFIYYHRIDYMTPE-UHFFFAOYSA-N -1 3 373.420 3.230 20 0 FGADHM C[C@@H](NCc1ccn(-c2ccccc2F)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000824625823 609183588 /nfs/dbraw/zinc/18/35/88/609183588.db2.gz KSYZYJZLYOPMAH-CYBMUJFWSA-N -1 3 363.400 3.042 20 0 FGADHM C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000824771160 609204026 /nfs/dbraw/zinc/20/40/26/609204026.db2.gz PSWMGLMSQOZDDE-VIFPVBQESA-N -1 3 364.331 3.047 20 0 FGADHM C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000824771160 609204027 /nfs/dbraw/zinc/20/40/27/609204027.db2.gz PSWMGLMSQOZDDE-VIFPVBQESA-N -1 3 364.331 3.047 20 0 FGADHM Cc1ccc(-c2cccc(CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)c2)cc1 ZINC000826273794 609225852 /nfs/dbraw/zinc/22/58/52/609225852.db2.gz URUKUYLFEDRHTE-UHFFFAOYSA-N -1 3 358.405 3.100 20 0 FGADHM Cc1ccc(-c2cccc(CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)c2)cc1 ZINC000826273794 609225853 /nfs/dbraw/zinc/22/58/53/609225853.db2.gz URUKUYLFEDRHTE-UHFFFAOYSA-N -1 3 358.405 3.100 20 0 FGADHM Cc1cc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2C)nn1[C@@H](C)C1CC1 ZINC000826254006 609237814 /nfs/dbraw/zinc/23/78/14/609237814.db2.gz PCJDZKCSTFNICS-ZDUSSCGKSA-N -1 3 366.425 3.008 20 0 FGADHM Cc1cc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2C)nn1[C@@H](C)C1CC1 ZINC000826254006 609237816 /nfs/dbraw/zinc/23/78/16/609237816.db2.gz PCJDZKCSTFNICS-ZDUSSCGKSA-N -1 3 366.425 3.008 20 0 FGADHM C[C@@H]1CCC[C@@H](C)C1Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1 ZINC000824926017 609242301 /nfs/dbraw/zinc/24/23/01/609242301.db2.gz IIYHQTHFLBLQFI-ZIAGYGMSSA-N -1 3 370.501 3.064 20 0 FGADHM C[C@@H]1CCC[C@@H](C)C1Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1 ZINC000824926017 609242303 /nfs/dbraw/zinc/24/23/03/609242303.db2.gz IIYHQTHFLBLQFI-ZIAGYGMSSA-N -1 3 370.501 3.064 20 0 FGADHM C[C@H](OC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000824716285 609256253 /nfs/dbraw/zinc/25/62/53/609256253.db2.gz XPDVRCLBCHWGHP-KSSFIOAISA-N -1 3 363.421 3.140 20 0 FGADHM C[C@@H](Nc1cccc(-c2nnnn2C2CC2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824662065 609273324 /nfs/dbraw/zinc/27/33/24/609273324.db2.gz BLCMHDWLHQIEIG-GFCCVEGCSA-N -1 3 373.424 3.028 20 0 FGADHM C[C@@H](Nc1cccc(-c2nnnn2C2CC2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824662065 609273325 /nfs/dbraw/zinc/27/33/25/609273325.db2.gz BLCMHDWLHQIEIG-GFCCVEGCSA-N -1 3 373.424 3.028 20 0 FGADHM CC[C@H](CC(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1)C(C)C ZINC000825081373 609289030 /nfs/dbraw/zinc/28/90/30/609289030.db2.gz IOERMXPGODAFJU-GFCCVEGCSA-N -1 3 371.420 3.202 20 0 FGADHM O=C(CC1CCCCC1)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000826404035 609289512 /nfs/dbraw/zinc/28/95/12/609289512.db2.gz LZQRDRQLUNBZKD-UHFFFAOYSA-N -1 3 369.404 3.100 20 0 FGADHM C/C(=C/C(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1)C(C)(C)C ZINC000823944128 609290199 /nfs/dbraw/zinc/29/01/99/609290199.db2.gz YFINVFAYBGREKC-KHPPLWFESA-N -1 3 369.404 3.122 20 0 FGADHM C[C@@H](CNC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)Sc1ccccc1 ZINC000824426744 609291468 /nfs/dbraw/zinc/29/14/68/609291468.db2.gz HGFVTBGDHWCVDE-NSHDSACASA-N -1 3 373.869 3.431 20 0 FGADHM C[C@@H](CNC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)Sc1ccccc1 ZINC000824426744 609291469 /nfs/dbraw/zinc/29/14/69/609291469.db2.gz HGFVTBGDHWCVDE-NSHDSACASA-N -1 3 373.869 3.431 20 0 FGADHM Cc1c(C(=O)OCc2ccccc2-c2nnn[n-]2)cnn1C1CCCCC1 ZINC000826235380 609296008 /nfs/dbraw/zinc/29/60/08/609296008.db2.gz IXRMYHWCMLOZDM-UHFFFAOYSA-N -1 3 366.425 3.234 20 0 FGADHM Cc1c(C(=O)OCc2ccccc2-c2nn[n-]n2)cnn1C1CCCCC1 ZINC000826235380 609296010 /nfs/dbraw/zinc/29/60/10/609296010.db2.gz IXRMYHWCMLOZDM-UHFFFAOYSA-N -1 3 366.425 3.234 20 0 FGADHM COCCC[C@H](C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@H](C)C2 ZINC000826155631 609304192 /nfs/dbraw/zinc/30/41/92/609304192.db2.gz WTQZTOCUIAUVNK-QWRGUYRKSA-N -1 3 363.487 3.054 20 0 FGADHM COCCC[C@H](C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@H](C)C2 ZINC000826155631 609304194 /nfs/dbraw/zinc/30/41/94/609304194.db2.gz WTQZTOCUIAUVNK-QWRGUYRKSA-N -1 3 363.487 3.054 20 0 FGADHM COCCC[C@@H](C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@@H](C)C2 ZINC000826155629 609304269 /nfs/dbraw/zinc/30/42/69/609304269.db2.gz WTQZTOCUIAUVNK-GHMZBOCLSA-N -1 3 363.487 3.054 20 0 FGADHM COCCC[C@@H](C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@@H](C)C2 ZINC000826155629 609304270 /nfs/dbraw/zinc/30/42/70/609304270.db2.gz WTQZTOCUIAUVNK-GHMZBOCLSA-N -1 3 363.487 3.054 20 0 FGADHM Cc1nnc(SCCCC(=O)c2ccccc2)c(-c2nnn[n-]2)c1C ZINC000826336831 609304653 /nfs/dbraw/zinc/30/46/53/609304653.db2.gz PJZBHUQTQBPQKT-UHFFFAOYSA-N -1 3 354.439 3.029 20 0 FGADHM Cc1nnc(SCCCC(=O)c2ccccc2)c(-c2nn[n-]n2)c1C ZINC000826336831 609304654 /nfs/dbraw/zinc/30/46/54/609304654.db2.gz PJZBHUQTQBPQKT-UHFFFAOYSA-N -1 3 354.439 3.029 20 0 FGADHM CCn1ccnc1SCc1ccc(-c2nnn[n-]2)cc1Br ZINC000825804964 609307523 /nfs/dbraw/zinc/30/75/23/609307523.db2.gz MEBACLYEAFKQMO-UHFFFAOYSA-N -1 3 365.260 3.138 20 0 FGADHM CCn1ccnc1SCc1ccc(-c2nn[n-]n2)cc1Br ZINC000825804964 609307524 /nfs/dbraw/zinc/30/75/24/609307524.db2.gz MEBACLYEAFKQMO-UHFFFAOYSA-N -1 3 365.260 3.138 20 0 FGADHM CCc1cc(NCc2cccc(C(=O)OC)c2-c2nnn[n-]2)ccc1C ZINC000825700771 609313341 /nfs/dbraw/zinc/31/33/41/609313341.db2.gz RWRCUFWVLBMVGJ-UHFFFAOYSA-N -1 3 351.410 3.136 20 0 FGADHM CCc1cc(NCc2cccc(C(=O)OC)c2-c2nn[n-]n2)ccc1C ZINC000825700771 609313343 /nfs/dbraw/zinc/31/33/43/609313343.db2.gz RWRCUFWVLBMVGJ-UHFFFAOYSA-N -1 3 351.410 3.136 20 0 FGADHM CCc1cc(N[C@H](C(=O)OC)c2ccc(-c3nnn[n-]3)cc2)ccc1C ZINC000825700699 609314316 /nfs/dbraw/zinc/31/43/16/609314316.db2.gz PUOZPVATBSHLJQ-KRWDZBQOSA-N -1 3 351.410 3.064 20 0 FGADHM CCc1cc(N[C@H](C(=O)OC)c2ccc(-c3nn[n-]n3)cc2)ccc1C ZINC000825700699 609314318 /nfs/dbraw/zinc/31/43/18/609314318.db2.gz PUOZPVATBSHLJQ-KRWDZBQOSA-N -1 3 351.410 3.064 20 0 FGADHM O=C(N[C@H]1CC=CCC1)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826429198 609321184 /nfs/dbraw/zinc/32/11/84/609321184.db2.gz WOZASWNBMXXOLV-AWEZNQCLSA-N -1 3 361.405 3.498 20 0 FGADHM O=C(N[C@H]1CC=CCC1)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826429198 609321187 /nfs/dbraw/zinc/32/11/87/609321187.db2.gz WOZASWNBMXXOLV-AWEZNQCLSA-N -1 3 361.405 3.498 20 0 FGADHM CCC(CC)[C@H]1C[C@H](Nc2nc3c(cc2-c2nnn[n-]2)CCC3)CCO1 ZINC000825106603 609322048 /nfs/dbraw/zinc/32/20/48/609322048.db2.gz GLXXOVIKOGVPNH-RHSMWYFYSA-N -1 3 356.474 3.146 20 0 FGADHM CCC(CC)[C@H]1C[C@H](Nc2nc3c(cc2-c2nn[n-]n2)CCC3)CCO1 ZINC000825106603 609322050 /nfs/dbraw/zinc/32/20/50/609322050.db2.gz GLXXOVIKOGVPNH-RHSMWYFYSA-N -1 3 356.474 3.146 20 0 FGADHM Cc1sc(NC(=O)CN(C)[C@@H](C)c2ccccc2)c(-c2nnn[n-]2)c1C ZINC000826349519 609322342 /nfs/dbraw/zinc/32/23/42/609322342.db2.gz KPSQYWBFGUCMNY-LBPRGKRZSA-N -1 3 370.482 3.177 20 0 FGADHM Cc1sc(NC(=O)CN(C)[C@@H](C)c2ccccc2)c(-c2nn[n-]n2)c1C ZINC000826349519 609322344 /nfs/dbraw/zinc/32/23/44/609322344.db2.gz KPSQYWBFGUCMNY-LBPRGKRZSA-N -1 3 370.482 3.177 20 0 FGADHM CC(C)[C@H]1C[C@@H](CC(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)CCO1 ZINC000824215880 609372126 /nfs/dbraw/zinc/37/21/26/609372126.db2.gz NNMRKIWIAMOUHW-XHDPSFHLSA-N -1 3 363.849 3.300 20 0 FGADHM CC(C)[C@H]1C[C@@H](CC(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)CCO1 ZINC000824215880 609372128 /nfs/dbraw/zinc/37/21/28/609372128.db2.gz NNMRKIWIAMOUHW-XHDPSFHLSA-N -1 3 363.849 3.300 20 0 FGADHM CC1(C)CC[C@@H](C(=O)NCCSCc2ccccc2-c2nnn[n-]2)C1 ZINC000824796827 609373226 /nfs/dbraw/zinc/37/32/26/609373226.db2.gz SOQLHEZBRKPSCN-CYBMUJFWSA-N -1 3 359.499 3.042 20 0 FGADHM CC1(C)CC[C@@H](C(=O)NCCSCc2ccccc2-c2nn[n-]n2)C1 ZINC000824796827 609373228 /nfs/dbraw/zinc/37/32/28/609373228.db2.gz SOQLHEZBRKPSCN-CYBMUJFWSA-N -1 3 359.499 3.042 20 0 FGADHM O=C(CCCCNc1ccc(-c2nn[n-]n2)cc1F)OCc1ccccc1 ZINC000826406349 609390739 /nfs/dbraw/zinc/39/07/39/609390739.db2.gz SOARCKYDVLHRBE-UHFFFAOYSA-N -1 3 369.400 3.331 20 0 FGADHM COc1ccc2c(c1)C[C@H](C)N(C(=O)c1cc(-c3nnn[n-]3)cs1)[C@H]2C ZINC000826212509 609408534 /nfs/dbraw/zinc/40/85/34/609408534.db2.gz SXFMRPRBQNXLFQ-QWRGUYRKSA-N -1 3 369.450 3.085 20 0 FGADHM COc1ccc2c(c1)C[C@H](C)N(C(=O)c1cc(-c3nn[n-]n3)cs1)[C@H]2C ZINC000826212509 609408536 /nfs/dbraw/zinc/40/85/36/609408536.db2.gz SXFMRPRBQNXLFQ-QWRGUYRKSA-N -1 3 369.450 3.085 20 0 FGADHM C[C@@H](CSc1cc(-c2nnn[n-]2)ccn1)C(=O)c1ccc(F)c(F)c1 ZINC000824448486 609434697 /nfs/dbraw/zinc/43/46/97/609434697.db2.gz ILVRQIADIPUECG-VIFPVBQESA-N -1 3 361.377 3.151 20 0 FGADHM C[C@@H](CSc1cc(-c2nn[n-]n2)ccn1)C(=O)c1ccc(F)c(F)c1 ZINC000824448486 609434698 /nfs/dbraw/zinc/43/46/98/609434698.db2.gz ILVRQIADIPUECG-VIFPVBQESA-N -1 3 361.377 3.151 20 0 FGADHM Clc1ccc(NCc2ccn(-c3ccccc3)n2)cc1-c1nnn[n-]1 ZINC000826353032 609437528 /nfs/dbraw/zinc/43/75/28/609437528.db2.gz YJZRQODFHQVXEI-UHFFFAOYSA-N -1 3 351.801 3.318 20 0 FGADHM Clc1ccc(NCc2ccn(-c3ccccc3)n2)cc1-c1nn[n-]n1 ZINC000826353032 609437531 /nfs/dbraw/zinc/43/75/31/609437531.db2.gz YJZRQODFHQVXEI-UHFFFAOYSA-N -1 3 351.801 3.318 20 0 FGADHM Cc1nc2c(c(N(Cc3ccc(-c4nnn[n-]4)cc3)C3CC3)n1)CCCC2 ZINC000826328027 609438043 /nfs/dbraw/zinc/43/80/43/609438043.db2.gz DEJNHVVSTXWNCE-UHFFFAOYSA-N -1 3 361.453 3.013 20 0 FGADHM Cc1nc2c(c(N(Cc3ccc(-c4nn[n-]n4)cc3)C3CC3)n1)CCCC2 ZINC000826328027 609438044 /nfs/dbraw/zinc/43/80/44/609438044.db2.gz DEJNHVVSTXWNCE-UHFFFAOYSA-N -1 3 361.453 3.013 20 0 FGADHM O=C(CNc1csc2ccccc12)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000826414443 609439957 /nfs/dbraw/zinc/43/99/57/609439957.db2.gz WBHYTOYAOHWOOF-UHFFFAOYSA-N -1 3 350.407 3.132 20 0 FGADHM O=C(CNc1csc2ccccc12)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000826414443 609439959 /nfs/dbraw/zinc/43/99/59/609439959.db2.gz WBHYTOYAOHWOOF-UHFFFAOYSA-N -1 3 350.407 3.132 20 0 FGADHM Cc1ncc(CNc2ccn(-c3ccc(-c4nn[n-]n4)cc3Cl)n2)s1 ZINC000826330050 609444621 /nfs/dbraw/zinc/44/46/21/609444621.db2.gz CUXLAMMQWCCWNX-UHFFFAOYSA-N -1 3 372.845 3.083 20 0 FGADHM O=C(Nc1cccc(COC2CCCCC2)c1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826456684 609449045 /nfs/dbraw/zinc/44/90/45/609449045.db2.gz RNMRFWLYFOZSDH-UHFFFAOYSA-N -1 3 366.425 3.296 20 0 FGADHM O=C(Nc1cccc(COC2CCCCC2)c1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826456684 609449048 /nfs/dbraw/zinc/44/90/48/609449048.db2.gz RNMRFWLYFOZSDH-UHFFFAOYSA-N -1 3 366.425 3.296 20 0 FGADHM c1c(CNc2nc3ccccn3c2-c2nnn[n-]2)sc2c1CCCC2 ZINC000826524739 609465380 /nfs/dbraw/zinc/46/53/80/609465380.db2.gz IDQLEHXQVMTPOW-UHFFFAOYSA-N -1 3 351.439 3.067 20 0 FGADHM c1c(CNc2nc3ccccn3c2-c2nn[n-]n2)sc2c1CCCC2 ZINC000826524739 609465382 /nfs/dbraw/zinc/46/53/82/609465382.db2.gz IDQLEHXQVMTPOW-UHFFFAOYSA-N -1 3 351.439 3.067 20 0 FGADHM COc1cccc2cc(CNc3cc(-c4nnn[n-]4)ccc3OC)oc21 ZINC000826186124 609481148 /nfs/dbraw/zinc/48/11/48/609481148.db2.gz GKCVBXASDSGTRZ-UHFFFAOYSA-N -1 3 351.366 3.242 20 0 FGADHM COc1cccc2cc(CNc3cc(-c4nn[n-]n4)ccc3OC)oc21 ZINC000826186124 609481151 /nfs/dbraw/zinc/48/11/51/609481151.db2.gz GKCVBXASDSGTRZ-UHFFFAOYSA-N -1 3 351.366 3.242 20 0 FGADHM O=C(c1ccc(F)cn1)N(Cc1ccccc1)c1ccccc1-c1nnn[n-]1 ZINC000826473102 609484652 /nfs/dbraw/zinc/48/46/52/609484652.db2.gz KXHNVIKFBJGVRQ-UHFFFAOYSA-N -1 3 374.379 3.248 20 0 FGADHM O=C(c1ccc(F)cn1)N(Cc1ccccc1)c1ccccc1-c1nn[n-]n1 ZINC000826473102 609484655 /nfs/dbraw/zinc/48/46/55/609484655.db2.gz KXHNVIKFBJGVRQ-UHFFFAOYSA-N -1 3 374.379 3.248 20 0 FGADHM CC(=O)c1cc(Br)ccc1NCc1cccc(-c2nnn[n-]2)c1 ZINC000824010931 609485431 /nfs/dbraw/zinc/48/54/31/609485431.db2.gz URJSYFMZIWZMPN-UHFFFAOYSA-N -1 3 372.226 3.444 20 0 FGADHM CC(=O)c1cc(Br)ccc1NCc1cccc(-c2nn[n-]n2)c1 ZINC000824010931 609485433 /nfs/dbraw/zinc/48/54/33/609485433.db2.gz URJSYFMZIWZMPN-UHFFFAOYSA-N -1 3 372.226 3.444 20 0 FGADHM CCOC(=O)Nc1ccc(NCc2ccc(F)c(C)c2)cc1-c1nnn[n-]1 ZINC000825552948 609487491 /nfs/dbraw/zinc/48/74/91/609487491.db2.gz GHVPVGMVRAPFAJ-UHFFFAOYSA-N -1 3 370.388 3.495 20 0 FGADHM CCOC(=O)Nc1ccc(NCc2ccc(F)c(C)c2)cc1-c1nn[n-]n1 ZINC000825552948 609487494 /nfs/dbraw/zinc/48/74/94/609487494.db2.gz GHVPVGMVRAPFAJ-UHFFFAOYSA-N -1 3 370.388 3.495 20 0 FGADHM Cc1noc(C2CC2)c1C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000826339883 609510906 /nfs/dbraw/zinc/51/09/06/609510906.db2.gz YHPLGESWYJDAQP-UHFFFAOYSA-N -1 3 368.397 3.080 20 0 FGADHM Cc1noc(C2CC2)c1C(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000826339883 609510908 /nfs/dbraw/zinc/51/09/08/609510908.db2.gz YHPLGESWYJDAQP-UHFFFAOYSA-N -1 3 368.397 3.080 20 0 FGADHM CN(C(=O)c1ccc([C@H]2CCCOC2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000825829605 609536222 /nfs/dbraw/zinc/53/62/22/609536222.db2.gz HFCVIBYIYISKJI-KRWDZBQOSA-N -1 3 363.421 3.037 20 0 FGADHM CN(C(=O)c1ccc([C@H]2CCCOC2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000825829605 609536225 /nfs/dbraw/zinc/53/62/25/609536225.db2.gz HFCVIBYIYISKJI-KRWDZBQOSA-N -1 3 363.421 3.037 20 0 FGADHM Cc1ccccc1CN(Cc1ccccn1)c1nccc(C)c1-c1nnn[n-]1 ZINC000826307045 609559545 /nfs/dbraw/zinc/55/95/45/609559545.db2.gz USOGWEBXVBYGCQ-UHFFFAOYSA-N -1 3 371.448 3.480 20 0 FGADHM Cc1ccccc1CN(Cc1ccccn1)c1nccc(C)c1-c1nn[n-]n1 ZINC000826307045 609559546 /nfs/dbraw/zinc/55/95/46/609559546.db2.gz USOGWEBXVBYGCQ-UHFFFAOYSA-N -1 3 371.448 3.480 20 0 FGADHM Cc1ccnc(NCCc2c[nH]c3ccc(Cl)cc23)c1-c1nnn[n-]1 ZINC000826314242 609562395 /nfs/dbraw/zinc/56/23/95/609562395.db2.gz MRRYXWFNYPPXJV-UHFFFAOYSA-N -1 3 353.817 3.359 20 0 FGADHM Cc1ccnc(NCCc2c[nH]c3ccc(Cl)cc23)c1-c1nn[n-]n1 ZINC000826314242 609562396 /nfs/dbraw/zinc/56/23/96/609562396.db2.gz MRRYXWFNYPPXJV-UHFFFAOYSA-N -1 3 353.817 3.359 20 0 FGADHM Cc1c(Cl)cnc(N2CCc3c(F)ccc(F)c3C2)c1-c1nnn[n-]1 ZINC000826238783 609572326 /nfs/dbraw/zinc/57/23/26/609572326.db2.gz PHZLOTGFNJIJCP-UHFFFAOYSA-N -1 3 362.771 3.064 20 0 FGADHM Cc1c(Cl)cnc(N2CCc3c(F)ccc(F)c3C2)c1-c1nn[n-]n1 ZINC000826238783 609572329 /nfs/dbraw/zinc/57/23/29/609572329.db2.gz PHZLOTGFNJIJCP-UHFFFAOYSA-N -1 3 362.771 3.064 20 0 FGADHM COc1ccccc1[C@H]1CCCCN1c1nccc(C)c1-c1nnn[n-]1 ZINC000826218631 609582442 /nfs/dbraw/zinc/58/24/42/609582442.db2.gz HQIHCIXGKZFUOD-OAHLLOKOSA-N -1 3 350.426 3.310 20 0 FGADHM COc1ccccc1[C@H]1CCCCN1c1nccc(C)c1-c1nn[n-]n1 ZINC000826218631 609582444 /nfs/dbraw/zinc/58/24/44/609582444.db2.gz HQIHCIXGKZFUOD-OAHLLOKOSA-N -1 3 350.426 3.310 20 0 FGADHM Cc1c(Cl)cnc(N[C@@H]2CC[C@@H]3SCCS[C@H]23)c1-c1nnn[n-]1 ZINC000826239100 609582631 /nfs/dbraw/zinc/58/26/31/609582631.db2.gz XVCBYDDUDFJQKL-JFGNBEQYSA-N -1 3 368.919 3.015 20 0 FGADHM Cc1c(Cl)cnc(N[C@@H]2CC[C@@H]3SCCS[C@H]23)c1-c1nn[n-]n1 ZINC000826239100 609582633 /nfs/dbraw/zinc/58/26/33/609582633.db2.gz XVCBYDDUDFJQKL-JFGNBEQYSA-N -1 3 368.919 3.015 20 0 FGADHM O=C(Nc1nc(Cc2ccccc2)cs1)c1sccc1-c1nnn[n-]1 ZINC000826459970 609585898 /nfs/dbraw/zinc/58/58/98/609585898.db2.gz HZQTWDOJURGGID-UHFFFAOYSA-N -1 3 368.447 3.228 20 0 FGADHM O=C(Nc1nc(Cc2ccccc2)cs1)c1sccc1-c1nn[n-]n1 ZINC000826459970 609585900 /nfs/dbraw/zinc/58/59/00/609585900.db2.gz HZQTWDOJURGGID-UHFFFAOYSA-N -1 3 368.447 3.228 20 0 FGADHM COc1ccc(CCC(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)cc1 ZINC000826191508 609612971 /nfs/dbraw/zinc/61/29/71/609612971.db2.gz ILRZRFNPMBEOJM-UHFFFAOYSA-N -1 3 372.812 3.205 20 0 FGADHM COc1ccc(CCC(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)cc1 ZINC000826191508 609612972 /nfs/dbraw/zinc/61/29/72/609612972.db2.gz ILRZRFNPMBEOJM-UHFFFAOYSA-N -1 3 372.812 3.205 20 0 FGADHM Cc1ccc(O[C@@H](C)C(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)cc1 ZINC000826292463 609617222 /nfs/dbraw/zinc/61/72/22/609617222.db2.gz VYTSCORKCKMIFI-LBPRGKRZSA-N -1 3 372.812 3.339 20 0 FGADHM Cc1ccc(O[C@@H](C)C(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)cc1 ZINC000826292463 609617223 /nfs/dbraw/zinc/61/72/23/609617223.db2.gz VYTSCORKCKMIFI-LBPRGKRZSA-N -1 3 372.812 3.339 20 0 FGADHM O=C(OCc1ccc(Cl)cc1-c1nnn[n-]1)c1ccc2ncccc2c1 ZINC000826465243 609617682 /nfs/dbraw/zinc/61/76/82/609617682.db2.gz FJEFYEQUJVNMEB-UHFFFAOYSA-N -1 3 365.780 3.425 20 0 FGADHM O=C(OCc1ccc(Cl)cc1-c1nn[n-]n1)c1ccc2ncccc2c1 ZINC000826465243 609617684 /nfs/dbraw/zinc/61/76/84/609617684.db2.gz FJEFYEQUJVNMEB-UHFFFAOYSA-N -1 3 365.780 3.425 20 0 FGADHM O=C(Nc1ccc(Cl)c(OC(F)F)c1)c1cc(-c2nnn[n-]2)cs1 ZINC000826453706 609641047 /nfs/dbraw/zinc/64/10/47/609641047.db2.gz WGZWHBILJMXDSH-UHFFFAOYSA-N -1 3 371.756 3.435 20 0 FGADHM O=C(Nc1ccc(Cl)c(OC(F)F)c1)c1cc(-c2nn[n-]n2)cs1 ZINC000826453706 609641049 /nfs/dbraw/zinc/64/10/49/609641049.db2.gz WGZWHBILJMXDSH-UHFFFAOYSA-N -1 3 371.756 3.435 20 0 FGADHM C[C@H](OC(=O)c1ccc([O-])cc1)C(=O)Nc1ccc(Br)cc1 ZINC000005693993 695550680 /nfs/dbraw/zinc/55/06/80/695550680.db2.gz SDBIZKJRTHKZMX-JTQLQIEISA-N -1 3 364.195 3.339 20 0 FGADHM CC(=O)c1ccccc1NC(=O)COC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000011809305 695602437 /nfs/dbraw/zinc/60/24/37/695602437.db2.gz AMGJPWOVKYULDO-UHFFFAOYSA-N -1 3 355.177 3.320 20 0 FGADHM Cc1ccccc1CN(C)C(=O)COC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000011809940 695602658 /nfs/dbraw/zinc/60/26/58/695602658.db2.gz FGULVPBBZRUDBN-UHFFFAOYSA-N -1 3 355.221 3.445 20 0 FGADHM Cc1cccc(NC(=S)N[N-]C(=O)c2ccc3ccccc3n2)c1C ZINC000015844536 695622521 /nfs/dbraw/zinc/62/25/21/695622521.db2.gz QZMPPLPPKCUNSO-UHFFFAOYSA-N -1 3 350.447 3.483 20 0 FGADHM O=C(COC(=O)c1cc(Cl)c(Cl)[n-]1)N[C@@H]1CCOc2ccccc21 ZINC000021730836 695647777 /nfs/dbraw/zinc/64/77/77/695647777.db2.gz ANANAVUJBNFKKU-LLVKDONJSA-N -1 3 369.204 3.118 20 0 FGADHM C[C@H]1CCC[C@@H](NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)C1 ZINC000032029492 695741130 /nfs/dbraw/zinc/74/11/30/695741130.db2.gz PDGUFAZFCHXPIE-GXTWGEPZSA-N -1 3 370.490 3.211 20 0 FGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@H]2CCC[C@H](C)C2)ccc1F ZINC000033101934 695749419 /nfs/dbraw/zinc/74/94/19/695749419.db2.gz DSEMYMQCCHLHMT-ZFWWWQNUSA-N -1 3 370.490 3.163 20 0 FGADHM Cc1nc(C)c(CC(=O)Nc2ccccc2SCC(F)(F)F)c(=O)[n-]1 ZINC000041615087 695764493 /nfs/dbraw/zinc/76/44/93/695764493.db2.gz SRUSQZZETOBJFD-UHFFFAOYSA-N -1 3 371.384 3.222 20 0 FGADHM C[C@H](NC(=S)N[N-]C(=O)c1ccc2ccccc2n1)c1ccccc1 ZINC000044050889 695800486 /nfs/dbraw/zinc/80/04/86/695800486.db2.gz FUAWEYQFDWWEHF-ZDUSSCGKSA-N -1 3 350.447 3.105 20 0 FGADHM Nc1c(Cl)c(Cl)nc(C(=O)[N-]N=C2CCSCC2)c1Cl ZINC000044392748 695808445 /nfs/dbraw/zinc/80/84/45/695808445.db2.gz NRVOHJKZOZKXKN-UHFFFAOYSA-N -1 3 353.662 3.237 20 0 FGADHM O=S(=O)([N-]C[C@@H]1CCN(c2ccccc2)C1)c1ccc(Cl)cc1F ZINC000045743713 695825985 /nfs/dbraw/zinc/82/59/85/695825985.db2.gz BUCLFNFQMOTBNO-ZDUSSCGKSA-N -1 3 368.861 3.284 20 0 FGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N(C)C2CCCCCC2)ccc1F ZINC000046182844 695834713 /nfs/dbraw/zinc/83/47/13/695834713.db2.gz OSVOLTSCNLJYCS-UHFFFAOYSA-N -1 3 370.490 3.307 20 0 FGADHM Cc1nc(C2([N-]S(=O)(=O)c3cccc(Cl)c3)CCCCC2)no1 ZINC000046800157 695846831 /nfs/dbraw/zinc/84/68/31/695846831.db2.gz 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CC[C@@](C)([N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)c1nccs1 ZINC000151473296 704925208 /nfs/dbraw/zinc/92/52/08/704925208.db2.gz NMDIOHFOSUBIPS-GFCCVEGCSA-N -1 3 366.295 3.449 20 0 FGADHM O=C(COc1cccc(NC(=O)C2CC2)c1)Nc1ccc(Cl)cc1[O-] ZINC000153648259 705007119 /nfs/dbraw/zinc/00/71/19/705007119.db2.gz ZQAADOVZTYXVTQ-UHFFFAOYSA-N -1 3 360.797 3.412 20 0 FGADHM O=C([N-][C@H](c1cccc(Cl)c1)c1ccccn1)C(F)(F)C1(O)CCC1 ZINC000155075572 705062331 /nfs/dbraw/zinc/06/23/31/705062331.db2.gz MNLNFUAULTUTOG-OAHLLOKOSA-N -1 3 366.795 3.491 20 0 FGADHM C[C@H](Cc1ccc(Cl)cc1)C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000156840155 705134055 /nfs/dbraw/zinc/13/40/55/705134055.db2.gz FJGWOXYHLFODDK-GFCCVEGCSA-N -1 3 355.829 3.261 20 0 FGADHM C[C@H](Cc1ccc(Cl)cc1)C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000156840155 705134057 /nfs/dbraw/zinc/13/40/57/705134057.db2.gz FJGWOXYHLFODDK-GFCCVEGCSA-N -1 3 355.829 3.261 20 0 FGADHM C[C@H](Cc1ccc(F)c(Br)c1)C(=O)[N-]O[C@@H]1CCCCO1 ZINC000158736533 705196896 /nfs/dbraw/zinc/19/68/96/705196896.db2.gz PABSENSSOSOUCN-QMTHXVAHSA-N -1 3 360.223 3.341 20 0 FGADHM CCOC(=O)CC1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000159058488 705209017 /nfs/dbraw/zinc/20/90/17/705209017.db2.gz NMQCJQSFOCQEFW-UHFFFAOYSA-N -1 3 356.806 3.119 20 0 FGADHM O=S(=O)([N-]C[C@@H](O)c1ccc(Cl)cc1)c1cccc(Cl)c1F ZINC000159334373 705220210 /nfs/dbraw/zinc/22/02/10/705220210.db2.gz UDASDVQXLVBXCS-GFCCVEGCSA-N -1 3 364.225 3.144 20 0 FGADHM COC[C@H]([N-]S(=O)(=O)c1ccc(Cl)nc1Cl)c1ccccc1 ZINC000170735217 705359366 /nfs/dbraw/zinc/35/93/66/705359366.db2.gz JSLQHMFPZNFSJM-NSHDSACASA-N -1 3 361.250 3.054 20 0 FGADHM C[C@H](CCc1cccn1C)[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000173608546 705466148 /nfs/dbraw/zinc/46/61/48/705466148.db2.gz AOSAMTCGUOLQMX-SNVBAGLBSA-N -1 3 362.282 3.027 20 0 FGADHM CCCCC[C@H](C)[N-]S(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl ZINC000179907418 705720679 /nfs/dbraw/zinc/72/06/79/705720679.db2.gz JMHQUFHONBYCOS-VIFPVBQESA-N -1 3 373.949 3.052 20 0 FGADHM O=C(Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)[C@]1(O)CCSC1 ZINC000179937687 705721671 /nfs/dbraw/zinc/72/16/71/705721671.db2.gz FMPITCFKTDXVDD-SFHVURJKSA-N -1 3 372.471 3.475 20 0 FGADHM O=S(=O)(/C=C/c1cccc(Br)c1)[N-]c1ncccc1F ZINC000180261049 705733676 /nfs/dbraw/zinc/73/36/76/705733676.db2.gz UODPNCBRNDWDRC-SOFGYWHQSA-N -1 3 357.204 3.396 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)c1cccc([N+](=O)[O-])c1Br ZINC000180570088 705748345 /nfs/dbraw/zinc/74/83/45/705748345.db2.gz TVIXZXQQJQFTLP-UHFFFAOYSA-N -1 3 369.146 3.132 20 0 FGADHM O=S(=O)([N-]Cc1ccc(Cl)cn1)c1ccc(Br)s1 ZINC000180596665 705749322 /nfs/dbraw/zinc/74/93/22/705749322.db2.gz VOBVJAUBOAUOEJ-UHFFFAOYSA-N -1 3 367.677 3.038 20 0 FGADHM CC(C)c1cc(C(=O)N[N-]C(=O)c2ccc(Cl)cc2Cl)cc(=O)[nH]1 ZINC000180716838 705754022 /nfs/dbraw/zinc/75/40/22/705754022.db2.gz HRESXMZHXKUEBQ-UHFFFAOYSA-N -1 3 368.220 3.292 20 0 FGADHM O=S(=O)([N-]C[C@H](O)c1ccsc1)c1cccc(Cl)c1Cl ZINC000182469750 705845233 /nfs/dbraw/zinc/84/52/33/705845233.db2.gz 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ZINC000188860167 712779530 /nfs/dbraw/zinc/77/95/30/712779530.db2.gz QWZVLQOGXLYKQG-MRXNPFEDSA-N -1 3 357.834 3.055 20 0 FGADHM Cc1ccc(C(=O)NOCc2ccc(F)cc2Br)c([O-])c1O ZINC000188912484 712780648 /nfs/dbraw/zinc/78/06/48/712780648.db2.gz ONIUVQWQMJWOSM-UHFFFAOYSA-N -1 3 370.174 3.169 20 0 FGADHM O=C(Cc1cccc2ccccc21)[N-]OCCOCC(F)(F)C(F)F ZINC000189288312 712791035 /nfs/dbraw/zinc/79/10/35/712791035.db2.gz PDGADKWRXXQTDF-UHFFFAOYSA-N -1 3 359.319 3.347 20 0 FGADHM CC(C)(C)n1cc(C(=O)[N-]c2nnc(-c3ccc(Cl)cc3)s2)nn1 ZINC000189512538 712796351 /nfs/dbraw/zinc/79/63/51/712796351.db2.gz MFHXMLVOMFYZBZ-UHFFFAOYSA-N -1 3 362.846 3.457 20 0 FGADHM N#C/C(=C\C1=Cc2cc(Cl)cc(Cl)c2OC1)S(=O)(=O)[N-]C1CC1 ZINC000191480744 712837325 /nfs/dbraw/zinc/83/73/25/712837325.db2.gz KVOJRHABUIKNDR-YIXHJXPBSA-N -1 3 371.245 3.258 20 0 FGADHM Cc1ccc(S(=O)(=O)C[C@H](C)NCc2c([O-])ccc(Cl)c2F)cc1 ZINC000191615487 712839990 /nfs/dbraw/zinc/83/99/90/712839990.db2.gz QGOJUSGAACDOCG-LBPRGKRZSA-N -1 3 371.861 3.445 20 0 FGADHM COC[C@@H](NC(=O)/C(C#N)=C/c1ccc([O-])cc1)c1ccc(Cl)cc1 ZINC000192575393 712866857 /nfs/dbraw/zinc/86/68/57/712866857.db2.gz YQVWXFLFFCMJSG-SPQRHKFCSA-N -1 3 356.809 3.456 20 0 FGADHM C[C@]1(CS(=O)(=O)[N-]CC(=O)c2cccc(Cl)c2Cl)CC1(F)F ZINC000641632744 717915372 /nfs/dbraw/zinc/91/53/72/717915372.db2.gz QYVBBFDQYSUSKV-GFCCVEGCSA-N -1 3 372.220 3.141 20 0 FGADHM O=C([O-])CC[C@@H](Cc1ccccc1)NCc1ncc(Br)s1 ZINC000263479809 713747053 /nfs/dbraw/zinc/74/70/53/713747053.db2.gz GCLWRJFETOWQNP-LBPRGKRZSA-N -1 3 369.284 3.471 20 0 FGADHM O=C(c1cc([O-])c2ccccc2c1)N1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000287867299 713767001 /nfs/dbraw/zinc/76/70/01/713767001.db2.gz NGNPTGKTSJBAKJ-KRWDZBQOSA-N -1 3 353.340 3.465 20 0 FGADHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@H](C)c2cccc(Cl)c2)c1 ZINC000303046567 713785078 /nfs/dbraw/zinc/78/50/78/713785078.db2.gz ULUFJGFXQSFSNO-SNVBAGLBSA-N -1 3 371.817 3.305 20 0 FGADHM O=C([O-])CN(CC(=O)Nc1cc(Cl)c(Cl)cc1Cl)CC1CC1 ZINC000315372921 713806655 /nfs/dbraw/zinc/80/66/55/713806655.db2.gz CFRZTWKKDIGNPN-UHFFFAOYSA-N -1 3 365.644 3.382 20 0 FGADHM CCC(CC)c1nnc([N-]C(=O)c2ccoc2C2(O)CCOCC2)s1 ZINC000373917399 713883562 /nfs/dbraw/zinc/88/35/62/713883562.db2.gz WQIOMNQRESSJMV-UHFFFAOYSA-N -1 3 365.455 3.285 20 0 FGADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)[C@H]2CCCCO2)sc1Br ZINC000379229240 713975553 /nfs/dbraw/zinc/97/55/53/713975553.db2.gz NZTFNFQAQSSRFI-VHSXEESVSA-N -1 3 368.318 3.055 20 0 FGADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]Cc1cc(Cl)ccn1 ZINC000503868512 714114591 /nfs/dbraw/zinc/11/45/91/714114591.db2.gz FMFUMOOPEOIKQS-UHFFFAOYSA-N -1 3 354.790 3.407 20 0 FGADHM O=S(=O)([N-][C@@H]1CCCN(c2ccccc2)C1)c1ccc(Cl)s1 ZINC000523732633 714249884 /nfs/dbraw/zinc/24/98/84/714249884.db2.gz PAWLXPQJDYAMJF-GFCCVEGCSA-N -1 3 356.900 3.349 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1cc2ccccc2o1)[C@@H](c1ccccc1)N(C)C ZINC000526335030 714409833 /nfs/dbraw/zinc/40/98/33/714409833.db2.gz UNABTSJLAAMTEX-LIRRHRJNSA-N -1 3 358.463 3.403 20 0 FGADHM COC(=O)c1[n-]cnc1NC(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000580090188 714505165 /nfs/dbraw/zinc/50/51/65/714505165.db2.gz NNBUWJNWLNRSJU-SECBINFHSA-N -1 3 355.316 3.347 20 0 FGADHM COC(=O)c1nc[n-]c1NC(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000580090188 714505166 /nfs/dbraw/zinc/50/51/66/714505166.db2.gz NNBUWJNWLNRSJU-SECBINFHSA-N -1 3 355.316 3.347 20 0 FGADHM CC1(C)C[C@H]1NC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000618562716 714757081 /nfs/dbraw/zinc/75/70/81/714757081.db2.gz GZIUIRQPONAXHR-OAHLLOKOSA-N -1 3 365.861 3.204 20 0 FGADHM CN(C[C@H]1CC1(C)C)C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000621048928 714956734 /nfs/dbraw/zinc/95/67/34/714956734.db2.gz BRQBDCQQJKOECH-SNVBAGLBSA-N -1 3 363.255 3.409 20 0 FGADHM O=S(=O)([N-]CC[C@@H]1CC1(F)F)c1cccc(OC(F)(F)F)c1F ZINC000621304593 714979792 /nfs/dbraw/zinc/97/97/92/714979792.db2.gz CNRLTJREUDRBBB-SSDOTTSWSA-N -1 3 363.279 3.048 20 0 FGADHM O=S(=O)([N-]CC[C@@H]1CC1(F)F)c1cccc(Cl)c1Br ZINC000621305380 714980038 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Cc1cccc(C2(C(=O)N=c3[n-]n(CC(F)(F)F)cc3Cl)CC2)c1 ZINC000648432893 718426317 /nfs/dbraw/zinc/42/63/17/718426317.db2.gz LHSKSRUAAJIHKA-UHFFFAOYSA-N -1 3 357.763 3.499 20 0 FGADHM COc1ccc([N-]S(=O)(=O)CCC2CCCC2)c(C(F)(F)F)n1 ZINC000649602452 718536942 /nfs/dbraw/zinc/53/69/42/718536942.db2.gz XILWPMUJOWYOEW-UHFFFAOYSA-N -1 3 352.378 3.431 20 0 FGADHM Cc1noc(-c2ccc([N-]S(=O)(=O)CCC3CCCCC3)cn2)n1 ZINC000649669286 718547665 /nfs/dbraw/zinc/54/76/65/718547665.db2.gz HTACDWFSQUWZCW-UHFFFAOYSA-N -1 3 350.444 3.152 20 0 FGADHM CCN(C(=O)CN1CCCC[C@@H]1CC(=O)[O-])[C@@H](C)c1ccc(F)cc1 ZINC000650506030 718689829 /nfs/dbraw/zinc/68/98/29/718689829.db2.gz ZXGFIEFHQPHJPH-WMLDXEAASA-N -1 3 350.434 3.064 20 0 FGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H](C(C)C)C2)ccc1F ZINC000781093523 724527707 /nfs/dbraw/zinc/52/77/07/724527707.db2.gz MBVIDFCAULBFIS-OAHLLOKOSA-N -1 3 370.490 3.021 20 0 FGADHM Cc1nnc([C@@H](C)[N-]S(=O)(=O)Cc2cc(Cl)sc2Cl)s1 ZINC000651642313 718845233 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721941974 /nfs/dbraw/zinc/94/19/74/721941974.db2.gz YSSCGWZLRZTNFO-UHFFFAOYSA-N -1 3 373.503 3.461 20 0 FGADHM CC1(C)C[C@@H]([N-]S(=O)(=O)Cc2cc(-c3ccccc3)no2)C(C)(C)O1 ZINC000679199749 722012265 /nfs/dbraw/zinc/01/22/65/722012265.db2.gz LMLKYTXEFCVBJE-MRXNPFEDSA-N -1 3 364.467 3.107 20 0 FGADHM C[C@@]1([N-]S(=O)(=O)c2cccc(Cl)c2Cl)CCO[C@@H]1C1CC1 ZINC000680109041 722072596 /nfs/dbraw/zinc/07/25/96/722072596.db2.gz QUJNCGICBUKLSZ-ZIAGYGMSSA-N -1 3 350.267 3.229 20 0 FGADHM CC(C)OC1CCC([N-]S(=O)(=O)c2cnccc2C(F)(F)F)CC1 ZINC000682371111 722243712 /nfs/dbraw/zinc/24/37/12/722243712.db2.gz NFLVWYBJAHUJPC-UHFFFAOYSA-N -1 3 366.405 3.115 20 0 FGADHM C[C@]1(c2ccccc2)C[C@@H]1[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000682370724 722243794 /nfs/dbraw/zinc/24/37/94/722243794.db2.gz YMLBGMLQIUISLB-LSDHHAIUSA-N -1 3 356.369 3.109 20 0 FGADHM CSc1nc(NC(=O)Cc2ccc(Br)c(Cl)c2)n[n-]1 ZINC000682482945 722250104 /nfs/dbraw/zinc/25/01/04/722250104.db2.gz FQTOCXMUALCJSU-UHFFFAOYSA-N -1 3 361.652 3.124 20 0 FGADHM Cc1nc(CS(=O)(=O)[N-]Cc2nc3cc(Cl)ccc3s2)cs1 ZINC000682834384 722266760 /nfs/dbraw/zinc/26/67/60/722266760.db2.gz ISKYOENZTYSZAR-UHFFFAOYSA-N -1 3 373.912 3.334 20 0 FGADHM O=c1[n-]c(SCc2ncccn2)nc2c1cnn2-c1cccc(Cl)c1 ZINC000682857056 722268436 /nfs/dbraw/zinc/26/84/36/722268436.db2.gz CWRVZSVJZHLLDU-UHFFFAOYSA-N -1 3 370.825 3.257 20 0 FGADHM O=S(=O)([N-][C@@H]1CCc2ccccc2C1)c1ccc(Cl)nc1Cl ZINC000725818304 722423403 /nfs/dbraw/zinc/42/34/03/722423403.db2.gz JEBFGITUCAGCMO-GFCCVEGCSA-N -1 3 357.262 3.224 20 0 FGADHM COC(=O)C1([N-]S(=O)(=O)/C=C/c2ccccc2Cl)CCCCCC1 ZINC000727443419 722444427 /nfs/dbraw/zinc/44/44/27/722444427.db2.gz LDGQWYUAJWMLMF-JLHYYAGUSA-N -1 3 371.886 3.496 20 0 FGADHM CC(C)(C)SCC[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000727460209 722444749 /nfs/dbraw/zinc/44/47/49/722444749.db2.gz JRIHGNKQDKPDRY-UHFFFAOYSA-N -1 3 370.309 3.398 20 0 FGADHM COC(=O)c1ccc([C@@H](C)OC(=O)c2cccc(Br)c2[O-])o1 ZINC000730363866 722467727 /nfs/dbraw/zinc/46/77/27/722467727.db2.gz 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BXQGIEKGNRLWTC-JTQLQIEISA-N -1 3 373.873 3.072 20 0 FGADHM C[C@@H](OC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1ccccc1C(F)(F)F ZINC000824722067 729356609 /nfs/dbraw/zinc/35/66/09/729356609.db2.gz GBGUABVRQSQMRI-MRVPVSSYSA-N -1 3 351.288 3.132 20 0 FGADHM C[C@@H](OC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccccc1C(F)(F)F ZINC000824722067 729356612 /nfs/dbraw/zinc/35/66/12/729356612.db2.gz GBGUABVRQSQMRI-MRVPVSSYSA-N -1 3 351.288 3.132 20 0 FGADHM CC(C)OCCCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@@H](C)C2 ZINC000824966390 729366272 /nfs/dbraw/zinc/36/62/72/729366272.db2.gz APNRBYMEJKVBJE-LLVKDONJSA-N -1 3 363.487 3.197 20 0 FGADHM CC(C)OCCCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@@H](C)C2 ZINC000824966390 729366274 /nfs/dbraw/zinc/36/62/74/729366274.db2.gz APNRBYMEJKVBJE-LLVKDONJSA-N -1 3 363.487 3.197 20 0 FGADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)CCc1ccc(Cl)c(Cl)c1)C2 ZINC000825034495 729368514 /nfs/dbraw/zinc/36/85/14/729368514.db2.gz JLCJJBUNNGKHJY-UHFFFAOYSA-N -1 3 352.221 3.272 20 0 FGADHM 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ZINC000832147778 729692817 /nfs/dbraw/zinc/69/28/17/729692817.db2.gz IQTHJZSJFLZYJF-GFCCVEGCSA-N -1 3 370.685 3.405 20 0 FGADHM CC(C)(C)OC(=O)N1CCc2ccc(CC(=O)[N-]OC/C=C\Cl)cc21 ZINC000832272487 729701353 /nfs/dbraw/zinc/70/13/53/729701353.db2.gz LJJAQJIGJJXIEA-YWEYNIOJSA-N -1 3 366.845 3.327 20 0 FGADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1ccc(N(CC)C(C)C)cc1 ZINC000836203718 729947166 /nfs/dbraw/zinc/94/71/66/729947166.db2.gz DJUIPVWUCIALEA-UHFFFAOYSA-N -1 3 351.447 3.316 20 0 FGADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1ccc(N(CC)C(C)C)cc1 ZINC000836203718 729947168 /nfs/dbraw/zinc/94/71/68/729947168.db2.gz DJUIPVWUCIALEA-UHFFFAOYSA-N -1 3 351.447 3.316 20 0 FGADHM CC(C)[C@@H](CO)O[N-]C(=O)CCc1cc(Cl)ccc1Br ZINC000836891921 729973288 /nfs/dbraw/zinc/97/32/88/729973288.db2.gz OQUOLSQBWQGNPR-CYBMUJFWSA-N -1 3 364.667 3.100 20 0 FGADHM CC(C)(C)c1nnc(COC(=O)c2cc(Br)c(F)cc2[O-])o1 ZINC000837779743 730063343 /nfs/dbraw/zinc/06/33/43/730063343.db2.gz DPHPFMFZOQEAMP-UHFFFAOYSA-N -1 3 373.178 3.331 20 0 FGADHM O=C(OCc1cc(=O)[n-]c(C2CC2)n1)[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000838142852 730093179 /nfs/dbraw/zinc/09/31/79/730093179.db2.gz AYDJIRQFANICNZ-AWEZNQCLSA-N -1 3 369.204 3.143 20 0 FGADHM C[C@H](CCCc1cccnc1)[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000841541975 730254518 /nfs/dbraw/zinc/25/45/18/730254518.db2.gz YPMRQDGCXKRQPA-LLVKDONJSA-N -1 3 374.293 3.473 20 0 FGADHM C[C@H](C[C@@H](C)NC(=O)c1cc([O-])ccc1Cl)NC(=O)OC(C)(C)C ZINC000843931892 730671707 /nfs/dbraw/zinc/67/17/07/730671707.db2.gz IMYUDOLECLBEAK-GHMZBOCLSA-N -1 3 356.850 3.467 20 0 FGADHM COc1ccc([O-])c(C(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)c1 ZINC000844004948 730678434 /nfs/dbraw/zinc/67/84/34/730678434.db2.gz ULDHTBSOMHVORS-UHFFFAOYSA-N -1 3 360.797 3.433 20 0 FGADHM CC[C@@H](OCC[N-]S(=O)(=O)c1cccnc1Cl)c1ccccc1 ZINC000845973195 730913757 /nfs/dbraw/zinc/91/37/57/730913757.db2.gz UWHAKSCNZGXGDS-CQSZACIVSA-N -1 3 354.859 3.181 20 0 FGADHM C[C@@]1(CC[N-]S(=O)(=O)c2ccc(C(F)(F)F)cn2)C[C@@]1(F)Cl ZINC000845982007 730915318 /nfs/dbraw/zinc/91/53/18/730915318.db2.gz QINOPCMQLSHCAM-MNOVXSKESA-N -1 3 360.760 3.083 20 0 FGADHM Cc1nc(C(C)(C)[N-]C(=O)C(F)(F)c2ccccc2OC(C)C)no1 ZINC000846851020 730987528 /nfs/dbraw/zinc/98/75/28/730987528.db2.gz ZQGBOOFDTNOPNY-UHFFFAOYSA-N -1 3 353.369 3.309 20 0 FGADHM CC[C@H]([N-]C(=O)C(F)(F)c1ccccc1OC(C)C)[C@H](O)C(F)(F)F ZINC000847632092 731072385 /nfs/dbraw/zinc/07/23/85/731072385.db2.gz OHGHDBCRWAQYAN-AAEUAGOBSA-N -1 3 369.330 3.384 20 0 FGADHM O=C(CCc1c(Cl)cccc1Cl)NCc1nc(C(F)(F)F)n[n-]1 ZINC000847766424 731089152 /nfs/dbraw/zinc/08/91/52/731089152.db2.gz PZDLLTAQPUYBDM-UHFFFAOYSA-N -1 3 367.158 3.379 20 0 FGADHM CCC(CC)(COC(=O)c1cc(S(=O)(=O)[N-]C)oc1C)C(F)(F)F ZINC000847984551 731117586 /nfs/dbraw/zinc/11/75/86/731117586.db2.gz RFGNOBCKLLOGQD-UHFFFAOYSA-N -1 3 371.377 3.022 20 0 FGADHM CC(C)(C)C(=O)N1CCC(NC(=O)c2cc3sccc3c([O-])c2)CC1 ZINC000848312726 731154214 /nfs/dbraw/zinc/15/42/14/731154214.db2.gz XHKUYQKUOCAFLR-UHFFFAOYSA-N -1 3 360.479 3.374 20 0 FGADHM O=C1CCc2ccc(S(=O)(=O)[N-]c3ccc(N4CCCC4)cc3)cc21 ZINC000848692544 731197760 /nfs/dbraw/zinc/19/77/60/731197760.db2.gz CARAYGIPJSNYDI-UHFFFAOYSA-N -1 3 356.447 3.217 20 0 FGADHM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]2C(C)(C)C2(F)F)c1 ZINC000851820305 731502942 /nfs/dbraw/zinc/50/29/42/731502942.db2.gz WKQIOMPVWSYCQQ-GFCCVEGCSA-N -1 3 351.802 3.112 20 0 FGADHM O=C([N-][C@@H]1CN(CCCCF)CC[C@@H]1c1cccc(F)c1)C(F)(F)F ZINC000852498449 731593459 /nfs/dbraw/zinc/59/34/59/731593459.db2.gz ICNXPJBYJLOOKW-HUUCEWRRSA-N -1 3 364.358 3.412 20 0 FGADHM CN(C)[C@@H](CNC(=O)c1ccc2oc(=S)[n-]c2c1)Cc1ccccc1 ZINC000854303047 731813403 /nfs/dbraw/zinc/81/34/03/731813403.db2.gz RVMJFGUWTWEILM-OAHLLOKOSA-N -1 3 355.463 3.019 20 0 FGADHM COC(=O)c1nc([N-]C(=O)c2conc2C(F)(F)F)sc1C(C)C ZINC000854495023 731834997 /nfs/dbraw/zinc/83/49/97/731834997.db2.gz UNNKNCLYPYQCLG-UHFFFAOYSA-N -1 3 363.317 3.312 20 0 FGADHM CC(C)c1cccc(C(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)c1 ZINC000854525291 731838257 /nfs/dbraw/zinc/83/82/57/731838257.db2.gz DNPODGGFHKNXRQ-ZDUSSCGKSA-N -1 3 356.388 3.341 20 0 FGADHM Cc1ncc(C[N-]C(=O)C(F)(F)c2cc(Cl)ccc2Cl)c(N)n1 ZINC000857503116 732134639 /nfs/dbraw/zinc/13/46/39/732134639.db2.gz BBNRLJJSGSGGRT-UHFFFAOYSA-N -1 3 361.179 3.082 20 0 FGADHM COc1cc(C(=O)OCc2cccnc2C(F)(F)F)cc(OC)c1[O-] ZINC000859607553 732359994 /nfs/dbraw/zinc/35/99/94/732359994.db2.gz NFWIEAYXLFEBJW-UHFFFAOYSA-N -1 3 357.284 3.180 20 0 FGADHM CC(C)(C)OC(=O)N1CC[C@H]([C@H](F)C(=O)Nc2cccc([O-])c2F)C1 ZINC000860475077 732519678 /nfs/dbraw/zinc/51/96/78/732519678.db2.gz WHKUXCPTTHTPDV-GWCFXTLKSA-N -1 3 356.369 3.065 20 0 FGADHM O=C(N[C@@H]1CC[C@@H]2SCCS[C@@H]12)c1cc([O-])cc(Br)c1 ZINC000860482420 732520373 /nfs/dbraw/zinc/52/03/73/732520373.db2.gz GLMDGJCLQKJAHD-AGIUHOORSA-N -1 3 374.325 3.264 20 0 FGADHM CCOCCO[N-]C(=O)Cc1ccc(SCC)cc1Br ZINC000860936126 732596085 /nfs/dbraw/zinc/59/60/85/732596085.db2.gz LTZFQBNSMODDRG-UHFFFAOYSA-N -1 3 362.289 3.188 20 0 FGADHM COc1ccccc1-c1nc(CS(=O)(=O)c2nc(C(C)C)c[n-]2)co1 ZINC000864441687 733056209 /nfs/dbraw/zinc/05/62/09/733056209.db2.gz UUYODQQKPJESEF-UHFFFAOYSA-N -1 3 361.423 3.171 20 0 FGADHM Cn1cc(CNCc2cccc(CCC(=O)[O-])c2)c(-c2cccs2)n1 ZINC000864518841 733072061 /nfs/dbraw/zinc/07/20/61/733072061.db2.gz VUAXUENWAQMUPO-UHFFFAOYSA-N -1 3 355.463 3.456 20 0 FGADHM Cc1cc(CNCCc2nc(C(=O)[O-])cs2)c(Br)cc1F ZINC000864523465 733072372 /nfs/dbraw/zinc/07/23/72/733072372.db2.gz JMXWYPKPKJFEFM-UHFFFAOYSA-N -1 3 373.247 3.384 20 0 FGADHM CC(C)c1cccc(N(C)S(=O)(=O)c2nc[n-]c2Br)c1 ZINC000866596340 733371907 /nfs/dbraw/zinc/37/19/07/733371907.db2.gz DTLFYCSSVKNDIN-UHFFFAOYSA-N -1 3 358.261 3.121 20 0 FGADHM C[C@H](NCc1nc2c(c(=O)[n-]1)COCC2)c1ccccc1C(F)(F)F ZINC000866627095 733376614 /nfs/dbraw/zinc/37/66/14/733376614.db2.gz SQFYQIACBQRXNJ-JTQLQIEISA-N -1 3 353.344 3.125 20 0 FGADHM Cc1ccc(C)c(N(C(C)C)S(=O)(=O)c2nc[n-]c2Br)c1 ZINC000866759294 733393426 /nfs/dbraw/zinc/39/34/26/733393426.db2.gz RVLQOAXYEQUHNM-UHFFFAOYSA-N -1 3 372.288 3.393 20 0 FGADHM CC(C)(C)n1cnc([N-]C(=O)c2cc(F)c(Br)cc2F)n1 ZINC000867365327 733474004 /nfs/dbraw/zinc/47/40/04/733474004.db2.gz DNYXLTNBKMCWKB-UHFFFAOYSA-N -1 3 359.174 3.326 20 0 FGADHM Cc1cc(CS(=O)(=O)[N-]C(C)(C)c2nc3cc(Cl)ccc3o2)on1 ZINC000867591402 733499751 /nfs/dbraw/zinc/49/97/51/733499751.db2.gz TXYRVLSSVRWXIW-UHFFFAOYSA-N -1 3 369.830 3.132 20 0 FGADHM O=C(CCCNC(=O)c1ccc(Cl)cc1)[N-]OCCCC(F)(F)F ZINC000871209781 733922868 /nfs/dbraw/zinc/92/28/68/733922868.db2.gz FHTBBVZNCUPODK-UHFFFAOYSA-N -1 3 366.767 3.240 20 0 FGADHM COc1ccc(CCC(=O)[N-]OCc2ncc(Br)s2)cc1 ZINC000871797798 735547644 /nfs/dbraw/zinc/54/76/44/735547644.db2.gz DFVXMQXQZMXUOG-UHFFFAOYSA-N -1 3 371.256 3.095 20 0 FGADHM O=C([O-])[C@@H](Cc1cncs1)NCc1cc(Cl)ccc1OCC1CC1 ZINC000871881358 735560098 /nfs/dbraw/zinc/56/00/98/735560098.db2.gz RGJBOLKFRLXUBI-OAHLLOKOSA-N -1 3 366.870 3.371 20 0 FGADHM CCOC1CC2(C[C@@H]2[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000872651839 735657868 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O=C([O-])[C@H]1CCCCCN1Cc1cc2c(cc1Br)OCO2 ZINC000902039505 743702635 /nfs/dbraw/zinc/70/26/35/743702635.db2.gz WTZDQQHWLGPWRH-GFCCVEGCSA-N -1 3 356.216 3.007 20 0 FGADHM O=C([O-])c1cc(CNCc2ccc(COC3CCOCC3)cc2)cs1 ZINC000902358194 743736478 /nfs/dbraw/zinc/73/64/78/743736478.db2.gz FVANSFBUNZEETK-UHFFFAOYSA-N -1 3 361.463 3.432 20 0 FGADHM O=C([O-])c1csc(CN[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)c1 ZINC000902493323 743749334 /nfs/dbraw/zinc/74/93/34/743749334.db2.gz XUEDUGWCXGNCHP-TZMCWYRMSA-N -1 3 357.353 3.471 20 0 FGADHM Cc1cc(CN[C@@H]2[C@H]3Cc4c(cccc4Br)[C@@H]23)oc1C(=O)[O-] ZINC000902494996 743749724 /nfs/dbraw/zinc/74/97/24/743749724.db2.gz XXMMGCXWARUZLA-NWANDNLSSA-N -1 3 362.223 3.477 20 0 FGADHM O=C([N-]CC[C@H]1CCOC1)C(F)(F)c1ncc(C(F)(F)F)cc1Cl ZINC000902919684 743788265 /nfs/dbraw/zinc/78/82/65/743788265.db2.gz BCUVPUYBCGICNR-QMMMGPOBSA-N -1 3 372.721 3.388 20 0 FGADHM CCS(=O)(CC)=NS(=O)(=O)[N-]c1ccc(-c2ccncc2)c(C)c1 ZINC000903130265 743810551 /nfs/dbraw/zinc/81/05/51/743810551.db2.gz 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CCn1cc(CN[C@@H](CCC(=O)[O-])c2ccc(Br)cc2)cn1 ZINC000904072463 743924819 /nfs/dbraw/zinc/92/48/19/743924819.db2.gz KBAIVAIBEMVHHC-HNNXBMFYSA-N -1 3 366.259 3.361 20 0 FGADHM Cc1cc(CNCCc2ncc(C(=O)[O-])s2)c(Br)cc1F ZINC000905740928 744050783 /nfs/dbraw/zinc/05/07/83/744050783.db2.gz KMVPVMHLADGLIH-UHFFFAOYSA-N -1 3 373.247 3.384 20 0 FGADHM Cc1csc(CNC(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)n1 ZINC000905849565 744063138 /nfs/dbraw/zinc/06/31/38/744063138.db2.gz IGKXEBUEVJENBR-UHFFFAOYSA-N -1 3 354.457 3.185 20 0 FGADHM CC[S@@](C)(=O)=NS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1Cl ZINC000906060817 744087084 /nfs/dbraw/zinc/08/70/84/744087084.db2.gz MXTGIOLHHJZMSX-HXUWFJFHSA-N -1 3 364.798 3.133 20 0 FGADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)Nc2cnn(C(F)F)c2)s1 ZINC000906444517 744132906 /nfs/dbraw/zinc/13/29/06/744132906.db2.gz AGSPLFBGPCGFBZ-UHFFFAOYSA-N -1 3 359.358 3.334 20 0 FGADHM CCCCCN(CCO)C(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000907138261 744188743 /nfs/dbraw/zinc/18/87/43/744188743.db2.gz URCBYIJQZGPDFC-UHFFFAOYSA-N -1 3 357.476 3.115 20 0 FGADHM CCC(F)(F)C(C)(C)CS(=O)(=O)[N-]Cc1nc(C(C)(C)C)co1 ZINC000907950455 744250731 /nfs/dbraw/zinc/25/07/31/744250731.db2.gz XFSOGGXDZJIJEX-UHFFFAOYSA-N -1 3 352.447 3.463 20 0 FGADHM CC1CCN([C@H](CNC(=O)N(C)C(C)(C)C(=O)[O-])c2cccs2)CC1 ZINC000908749305 744314450 /nfs/dbraw/zinc/31/44/50/744314450.db2.gz QKYMBVGNRRNTDI-CQSZACIVSA-N -1 3 367.515 3.026 20 0 FGADHM CCN(CC)[C@H](CNC(=O)N([C@H](C)C(=O)[O-])C1CCC1)c1ccsc1 ZINC000908801140 744318730 /nfs/dbraw/zinc/31/87/30/744318730.db2.gz AXHATRFKMHUDTD-CZUORRHYSA-N -1 3 367.515 3.168 20 0 FGADHM O=C([O-])[C@H](CC1CCCCC1)NC(=O)[C@H]1CCCCN1C1CCCC1 ZINC000909667105 744383411 /nfs/dbraw/zinc/38/34/11/744383411.db2.gz XDLSFDFFNCCMKJ-ZWKOTPCHSA-N -1 3 350.503 3.323 20 0 FGADHM CC(C)n1ncnc1C[N-]C(=O)C(F)(F)c1cccc(Br)c1 ZINC000935747389 761935458 /nfs/dbraw/zinc/93/54/58/761935458.db2.gz IGIORFOHMYUQOE-UHFFFAOYSA-N -1 3 373.201 3.030 20 0 FGADHM O=C(C=Cc1ccccc1C(F)(F)F)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000911850078 757221229 /nfs/dbraw/zinc/22/12/29/757221229.db2.gz YRWSZQKTRMNWJK-BTDICHCPSA-N -1 3 351.328 3.163 20 0 FGADHM C[C@@H]1COC2(CCC2)CN1C(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000912400129 757321132 /nfs/dbraw/zinc/32/11/32/757321132.db2.gz RRUIVPNLBBNWJN-LLVKDONJSA-N -1 3 367.471 3.274 20 0 FGADHM O=C(NCCCc1c[n-][nH]c1=O)C1(Cc2cccc(Cl)c2)CCCC1 ZINC000912471261 757332330 /nfs/dbraw/zinc/33/23/30/757332330.db2.gz OZLJAPZBPFWQHB-HNNXBMFYSA-N -1 3 361.873 3.071 20 0 FGADHM Cc1ccc(NC(=O)COC(=O)c2cc(-c3ccco3)[n-]n2)c(Cl)c1 ZINC000913299624 757492869 /nfs/dbraw/zinc/49/28/69/757492869.db2.gz NEGLDJZECPWBOO-UHFFFAOYSA-N -1 3 359.769 3.427 20 0 FGADHM Cc1ccc(NC(=O)COC(=O)c2cc(-c3ccco3)n[n-]2)c(Cl)c1 ZINC000913299624 757492873 /nfs/dbraw/zinc/49/28/73/757492873.db2.gz NEGLDJZECPWBOO-UHFFFAOYSA-N -1 3 359.769 3.427 20 0 FGADHM CC(C)c1nsc([N-]C(=O)c2nn(C(C)C)cc2Br)n1 ZINC000913809680 757597041 /nfs/dbraw/zinc/59/70/41/757597041.db2.gz TZRSEGQLXLQCAP-UHFFFAOYSA-N -1 3 358.265 3.454 20 0 FGADHM COc1cccc(CNC(=O)[C@H](C)OC(=O)c2cc3ccsc3[n-]2)c1 ZINC000914890850 757855725 /nfs/dbraw/zinc/85/57/25/757855725.db2.gz IFZTZIWHZJTVFW-NSHDSACASA-N -1 3 358.419 3.100 20 0 FGADHM COC(=O)c1cc([N-]S(=O)(=O)c2cc(C)c(OC)c(C)c2)ccc1F ZINC000915186168 757892983 /nfs/dbraw/zinc/89/29/83/757892983.db2.gz LZAURBVOFLRRDS-UHFFFAOYSA-N -1 3 367.398 3.039 20 0 FGADHM O=C(NCCc1ccc(C(F)(F)F)cc1)c1cc2c(cc1[O-])OCO2 ZINC000916721784 758122148 /nfs/dbraw/zinc/12/21/48/758122148.db2.gz SWEHQZOAHXJRGJ-UHFFFAOYSA-N -1 3 353.296 3.112 20 0 FGADHM CCOC(=O)CCCCCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000917653310 758253421 /nfs/dbraw/zinc/25/34/21/758253421.db2.gz GTHNZTAWGCZRPG-UHFFFAOYSA-N -1 3 353.893 3.193 20 0 FGADHM Cc1ccc(-c2cc(C(=O)OCC(=O)Nc3ccc(Cl)cc3)n[n-]2)o1 ZINC000919327315 758422816 /nfs/dbraw/zinc/42/28/16/758422816.db2.gz HSAMVSYELKYKQS-UHFFFAOYSA-N -1 3 359.769 3.427 20 0 FGADHM Cc1ccc(-c2cc(C(=O)OCC(=O)Nc3ccc(Cl)cc3)[n-]n2)o1 ZINC000919327315 758422822 /nfs/dbraw/zinc/42/28/22/758422822.db2.gz HSAMVSYELKYKQS-UHFFFAOYSA-N -1 3 359.769 3.427 20 0 FGADHM COc1c(F)cccc1S(=O)(=O)[N-]C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000921642880 758762341 /nfs/dbraw/zinc/76/23/41/758762341.db2.gz ATGWPZPPWAEHSH-IUODEOHRSA-N -1 3 371.380 3.162 20 0 FGADHM CCc1noc([C@H]2CC[C@@H]([N-]S(=O)(=O)c3cc(F)ccc3Cl)C2)n1 ZINC000921799122 758798935 /nfs/dbraw/zinc/79/89/35/758798935.db2.gz UJQQKVMKWJKLIM-GXSJLCMTSA-N -1 3 373.837 3.039 20 0 FGADHM Cn1nc(C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1C1CC1 ZINC000921915982 758818526 /nfs/dbraw/zinc/81/85/26/758818526.db2.gz PRJWBDNEUJDRQJ-UHFFFAOYSA-N -1 3 360.266 3.083 20 0 FGADHM CC(C)[C@@H]([N-]S(=O)(=O)C1CC1)c1nc(Cc2cccc(Cl)c2)no1 ZINC000923758208 759180747 /nfs/dbraw/zinc/18/07/47/759180747.db2.gz QDRPGAMJPGRTFV-OAHLLOKOSA-N -1 3 369.874 3.093 20 0 FGADHM O=C(NCCc1ccc(Cl)c(Cl)c1)c1cnc(C2CC2)[n-]c1=O ZINC000924162362 759285166 /nfs/dbraw/zinc/28/51/66/759285166.db2.gz QDSMWULJRBXXNE-UHFFFAOYSA-N -1 3 352.221 3.339 20 0 FGADHM O=C(Cc1ccc([O-])c(F)c1)N1CCC[C@H](c2nc3c(s2)CCC3)C1 ZINC000928254482 760128690 /nfs/dbraw/zinc/12/86/90/760128690.db2.gz SSZCEOUVDKSLRS-ZDUSSCGKSA-N -1 3 360.454 3.425 20 0 FGADHM Cc1noc(C(C)C)c1[N-]C(=O)c1cc(S(C)(=O)=O)ccc1Cl ZINC000928789655 760262220 /nfs/dbraw/zinc/26/22/20/760262220.db2.gz PUIPNUUZLKXMLM-UHFFFAOYSA-N -1 3 356.831 3.416 20 0 FGADHM O=C(NCc1ccc([O-])c(Br)c1)[C@@]12CCO[C@@H]1CCCC2 ZINC000934945362 761755374 /nfs/dbraw/zinc/75/53/74/761755374.db2.gz MHGBSYFQVRRGCA-ZBFHGGJFSA-N -1 3 354.244 3.120 20 0 FGADHM CCOC(=O)Cc1nnc([N-]C(=O)c2cc3c(o2)c(F)ccc3C)s1 ZINC000935048747 761777303 /nfs/dbraw/zinc/77/73/03/761777303.db2.gz HNGRCPUHPICTKC-UHFFFAOYSA-N -1 3 363.370 3.090 20 0 FGADHM O=C(N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1[O-])c1sccc1F ZINC000976301611 763294505 /nfs/dbraw/zinc/29/45/05/763294505.db2.gz NKTXXJJYMYZZLN-ZIAGYGMSSA-N -1 3 362.426 3.064 20 0 FGADHM O=C(N[C@@H]1CCCC[C@H]1Nc1nc(C2CC2)ns1)c1ccccc1[O-] ZINC001045346482 766527494 /nfs/dbraw/zinc/52/74/94/766527494.db2.gz WRMJOQJNOUDORX-ZIAGYGMSSA-N -1 3 358.467 3.274 20 0 FGADHM CCc1nsc(NCC[C@@H]2CN(C(=O)c3ccccc3[O-])C[C@H]2C)n1 ZINC001053294026 766959750 /nfs/dbraw/zinc/95/97/50/766959750.db2.gz RHVBEQYRMRWIDE-CHWSQXEVSA-N -1 3 360.483 3.016 20 0 FGADHM CCC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccc(OC)cc2C)c1 ZINC000055594900 205221991 /nfs/dbraw/zinc/22/19/91/205221991.db2.gz ADDMIDAWCXKPTL-UHFFFAOYSA-N -1 3 362.451 3.461 20 0 FGADHM Cc1c(Br)c2ccccc2n1CC(=O)Nc1ncccc1[O-] ZINC000059335844 205280317 /nfs/dbraw/zinc/28/03/17/205280317.db2.gz ZGTMWLUQYLYBOJ-UHFFFAOYSA-N -1 3 360.211 3.452 20 0 FGADHM CCC(=O)N[C@H]1CCCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000110228565 206072514 /nfs/dbraw/zinc/07/25/14/206072514.db2.gz ORUHHGLWSPFMCJ-SFHVURJKSA-N -1 3 366.461 3.114 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]c2cc(N3CCOCC3)ccc2C)cc1C ZINC000041374678 257339773 /nfs/dbraw/zinc/33/97/73/257339773.db2.gz IVXQIMRQUWUERG-UHFFFAOYSA-N -1 3 360.479 3.249 20 0 FGADHM Cc1ccc(NC(=O)c2ccc3n[n-]nc3c2)c(OC[C@@H]2CCCO2)c1 ZINC000055653506 257347700 /nfs/dbraw/zinc/34/77/00/257347700.db2.gz NPIUAEYAXVQBMH-AWEZNQCLSA-N -1 3 352.394 3.076 20 0 FGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc2c(c1)nc(C1CC1)n2C ZINC000270491257 257373602 /nfs/dbraw/zinc/37/36/02/257373602.db2.gz CYNOURQBXCRFRI-UHFFFAOYSA-N -1 3 369.450 3.229 20 0 FGADHM CC(C)(CO)[C@@H]([N-]S(=O)(=O)C[C@H]1CCCC1(F)F)c1cccs1 ZINC000297113532 257381601 /nfs/dbraw/zinc/38/16/01/257381601.db2.gz PFWPQLMWGJCZKE-YPMHNXCESA-N -1 3 367.483 3.163 20 0 FGADHM C[C@H]1CCN(C(=O)[C@H]2CN(C)C(=O)c3ccccc32)c2c([O-])cccc21 ZINC000376079219 257440834 /nfs/dbraw/zinc/44/08/34/257440834.db2.gz FZZGEKBHVWBQLE-GUYCJALGSA-N -1 3 350.418 3.102 20 0 FGADHM Cc1csc(C[N-]S(=O)(=O)c2ccc(F)cc2Br)c1 ZINC000394283721 499561232 /nfs/dbraw/zinc/56/12/32/499561232.db2.gz UUXYUQQGISURBD-UHFFFAOYSA-N -1 3 364.261 3.437 20 0 FGADHM Cc1cc(F)ccc1-n1ccc(-c2nc(-c3ccc4n[n-]nc4c3)no2)n1 ZINC000579544341 505572641 /nfs/dbraw/zinc/57/26/41/505572641.db2.gz SKTWJXUTMDCANC-UHFFFAOYSA-N -1 3 361.340 3.308 20 0 FGADHM COCCCOc1cccc(NC(=O)c2[n-]nc3c2cccc3OC)c1 ZINC000518002149 503886233 /nfs/dbraw/zinc/88/62/33/503886233.db2.gz JJIPNICYZHKNCG-UHFFFAOYSA-N -1 3 355.394 3.239 20 0 FGADHM COCCCOc1cccc(NC(=O)c2n[n-]c3c2cccc3OC)c1 ZINC000518002149 503886235 /nfs/dbraw/zinc/88/62/35/503886235.db2.gz JJIPNICYZHKNCG-UHFFFAOYSA-N -1 3 355.394 3.239 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F)c1cscn1 ZINC000567916551 505574151 /nfs/dbraw/zinc/57/41/51/505574151.db2.gz XPPZRGJCNYFCGV-ZETCQYMHSA-N -1 3 368.814 3.437 20 0 FGADHM COCc1ccccc1CS(=O)(=O)[N-]c1c(F)cc(C(C)=O)cc1F ZINC000567957023 505583004 /nfs/dbraw/zinc/58/30/04/505583004.db2.gz KJUZWDBRKUJWTL-UHFFFAOYSA-N -1 3 369.389 3.256 20 0 FGADHM O=C([O-])[C@@]1(C(F)(F)F)CCN(CCCc2nc(-c3ccccc3)no2)C1 ZINC000579603123 505584768 /nfs/dbraw/zinc/58/47/68/505584768.db2.gz HQRSNTDXJIMUQQ-MRXNPFEDSA-N -1 3 369.343 3.008 20 0 FGADHM Cc1c2ccccc2nc(CN2CC[C@@H](COC(F)F)C2)c1C(=O)[O-] ZINC000576769449 505590765 /nfs/dbraw/zinc/59/07/65/505590765.db2.gz RMHPKOGFOMITRW-GFCCVEGCSA-N -1 3 350.365 3.303 20 0 FGADHM COC(=O)c1cccc(-c2nc(CNC3(C(=O)[O-])CCCC3)cs2)c1 ZINC000567989463 505591343 /nfs/dbraw/zinc/59/13/43/505591343.db2.gz HCGVORZWGQKIAV-UHFFFAOYSA-N -1 3 360.435 3.084 20 0 FGADHM COc1cc(CN(C)[C@H](C)c2nc(C)cc(=O)[n-]2)ccc1OC(F)F ZINC000573771134 505615558 /nfs/dbraw/zinc/61/55/58/505615558.db2.gz DNIVTOFMNOHXRS-LLVKDONJSA-N -1 3 353.369 3.294 20 0 FGADHM COCCCOC1CCN(Cc2oc(-c3ccccc3)nc2C(=O)[O-])CC1 ZINC000568098776 505615893 /nfs/dbraw/zinc/61/58/93/505615893.db2.gz SSQQMSDYGOITFU-UHFFFAOYSA-N -1 3 374.437 3.057 20 0 FGADHM CN1CCc2ccc(S(=O)(=O)[N-]c3c4c(ccc3Cl)OCC4)cc21 ZINC000576882032 505616162 /nfs/dbraw/zinc/61/61/62/505616162.db2.gz GUPUNLOPDVFWAB-UHFFFAOYSA-N -1 3 364.854 3.068 20 0 FGADHM CC[C@@H]1CCC[C@H]1CNC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000576919251 505624313 /nfs/dbraw/zinc/62/43/13/505624313.db2.gz YKTUTJUALADWSO-KGLIPLIRSA-N -1 3 371.437 3.497 20 0 FGADHM c1ccc(-c2n[n-]nc2-c2nc(-c3ccc(N4CCOCC4)cc3)no2)cc1 ZINC000568136882 505625118 /nfs/dbraw/zinc/62/51/18/505625118.db2.gz FYVVWQKXBGAKHZ-UHFFFAOYSA-N -1 3 374.404 3.025 20 0 FGADHM O=C(Cc1ccc(Br)cc1[O-])NC[C@H]1CCOC2(CCC2)C1 ZINC000571018509 505634307 /nfs/dbraw/zinc/63/43/07/505634307.db2.gz KDIFBAQKLHMCIH-LBPRGKRZSA-N -1 3 368.271 3.163 20 0 FGADHM Cn1ccnc1[C@H](CC(=O)N1CCCc2cccc([O-])c21)C(F)(F)F ZINC000568203914 505643200 /nfs/dbraw/zinc/64/32/00/505643200.db2.gz YDJQGXGHPSQNFE-LBPRGKRZSA-N -1 3 353.344 3.141 20 0 FGADHM C[C@@H](NC(=O)c1cc(=O)[n-]c(C2CC2)n1)c1ccc(Br)cc1 ZINC000573932926 505655017 /nfs/dbraw/zinc/65/50/17/505655017.db2.gz ADXOXFLXFRRMHV-SECBINFHSA-N -1 3 362.227 3.313 20 0 FGADHM CSc1cc(-c2nc(-c3ccc4n[n-]nc4c3)no2)ccc1NC(C)=O ZINC000573985001 505667076 /nfs/dbraw/zinc/66/70/76/505667076.db2.gz KFDXNXQQKNGQEK-UHFFFAOYSA-N -1 3 366.406 3.355 20 0 FGADHM CC(=O)c1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)C(F)(F)F)cc1 ZINC000075789655 493778258 /nfs/dbraw/zinc/77/82/58/493778258.db2.gz POEAQDLVTITPAT-HNNXBMFYSA-N -1 3 357.353 3.471 20 0 FGADHM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(Cl)cc2F)c1 ZINC000028196683 493778775 /nfs/dbraw/zinc/77/87/75/493778775.db2.gz HZTHYUYRQKWRGT-UHFFFAOYSA-N -1 3 357.790 3.375 20 0 FGADHM C[C@H](C[N-]S(=O)(=O)c1ccc(Cl)s1)N1CCc2ccccc2C1 ZINC000028322868 493785064 /nfs/dbraw/zinc/78/50/64/493785064.db2.gz ALRLYPRKNGMODF-GFCCVEGCSA-N -1 3 370.927 3.127 20 0 FGADHM O=C(N[C@H]1CCc2c1cccc2Br)c1ccc2n[n-]nc2c1 ZINC000057688840 493785727 /nfs/dbraw/zinc/78/57/27/493785727.db2.gz CEQZKCNBNOPQTJ-ZDUSSCGKSA-N -1 3 357.211 3.138 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)[C@@H]1CCCO1 ZINC000028326930 493786123 /nfs/dbraw/zinc/78/61/23/493786123.db2.gz PDDDCRCYWYCSOO-KCJUWKMLSA-N -1 3 357.781 3.205 20 0 FGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1ccc(F)c(C(F)(F)F)c1 ZINC000068332467 493799034 /nfs/dbraw/zinc/79/90/34/493799034.db2.gz YZTONTZCFDPHBX-UHFFFAOYSA-N -1 3 351.263 3.277 20 0 FGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1ccc(F)c(C(F)(F)F)c1 ZINC000068332467 493799037 /nfs/dbraw/zinc/79/90/37/493799037.db2.gz YZTONTZCFDPHBX-UHFFFAOYSA-N -1 3 351.263 3.277 20 0 FGADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1cc(-c2ccccc2Cl)[nH]n1 ZINC000028973571 493809524 /nfs/dbraw/zinc/80/95/24/493809524.db2.gz PRNPZJRRFHAAMZ-UHFFFAOYSA-N -1 3 356.695 3.119 20 0 FGADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1cc(-c2ccccc2Cl)[nH]n1 ZINC000028973571 493809528 /nfs/dbraw/zinc/80/95/28/493809528.db2.gz PRNPZJRRFHAAMZ-UHFFFAOYSA-N -1 3 356.695 3.119 20 0 FGADHM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1cc(-c2ccccc2Cl)[nH]n1 ZINC000028973571 493809531 /nfs/dbraw/zinc/80/95/31/493809531.db2.gz PRNPZJRRFHAAMZ-UHFFFAOYSA-N -1 3 356.695 3.119 20 0 FGADHM CO[C@@H](C)C(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C)cc2C)c1 ZINC000068397509 493811789 /nfs/dbraw/zinc/81/17/89/493811789.db2.gz JTUCISXJDQKTQC-AWEZNQCLSA-N -1 3 362.451 3.078 20 0 FGADHM CCCOc1ccc(S(=O)(=O)[N-]c2cc(NC(C)=O)ccc2F)cc1 ZINC000029044505 493812671 /nfs/dbraw/zinc/81/26/71/493812671.db2.gz MNUFYGCYIGJFHV-UHFFFAOYSA-N -1 3 366.414 3.374 20 0 FGADHM O=S(=O)([N-]CCCOC1CCCC1)c1ccc(Br)s1 ZINC000057925999 493816423 /nfs/dbraw/zinc/81/64/23/493816423.db2.gz NBDVNWJDIWYANC-UHFFFAOYSA-N -1 3 368.318 3.138 20 0 FGADHM CN1CCC[C@H](C[N-]S(=O)(=O)c2cc3cc(Cl)ccc3s2)C1 ZINC000081054184 493820715 /nfs/dbraw/zinc/82/07/15/493820715.db2.gz MXDFGBIAIFFBCX-LLVKDONJSA-N -1 3 358.916 3.175 20 0 FGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(N2CCC(C)CC2)cc1 ZINC000081113955 493835309 /nfs/dbraw/zinc/83/53/09/493835309.db2.gz CNCCTPIYWBDVIQ-UHFFFAOYSA-N -1 3 372.494 3.289 20 0 FGADHM C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000068599047 493846176 /nfs/dbraw/zinc/84/61/76/493846176.db2.gz HZKATKSSIKMCCX-SECBINFHSA-N -1 3 359.332 3.073 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(N(C)Cc3ccccc3OC)nc2)n1 ZINC000068657915 493851475 /nfs/dbraw/zinc/85/14/75/493851475.db2.gz CATFBXMEFPZVMF-UHFFFAOYSA-N -1 3 350.422 3.039 20 0 FGADHM O=C1C[C@@H](c2noc(-c3cc(-c4ccco4)n[n-]3)n2)CN1c1ccccc1 ZINC000049060315 493858744 /nfs/dbraw/zinc/85/87/44/493858744.db2.gz RKMXQJAAPXCXSE-GFCCVEGCSA-N -1 3 361.361 3.240 20 0 FGADHM O=C1C[C@@H](c2noc(-c3cc(-c4ccco4)[n-]n3)n2)CN1c1ccccc1 ZINC000049060315 493858745 /nfs/dbraw/zinc/85/87/45/493858745.db2.gz RKMXQJAAPXCXSE-GFCCVEGCSA-N -1 3 361.361 3.240 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)Cc3cccc(F)c3)c2)n1 ZINC000049303452 493868885 /nfs/dbraw/zinc/86/88/85/493868885.db2.gz YQDBFRNLPDEUGV-UHFFFAOYSA-N -1 3 351.381 3.320 20 0 FGADHM CCOC[C@H]1CCN(C(=O)c2cc(OCc3ccccc3)ccc2[O-])C1 ZINC000081467739 493898174 /nfs/dbraw/zinc/89/81/74/493898174.db2.gz YGZHXKWKKGRQKM-KRWDZBQOSA-N -1 3 355.434 3.470 20 0 FGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)C1(c2cccc(Cl)c2)CCC1 ZINC000068962349 493900197 /nfs/dbraw/zinc/90/01/97/493900197.db2.gz IQTHAYIHIISRBV-UHFFFAOYSA-N -1 3 367.840 3.258 20 0 FGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)C1(c2cccc(Cl)c2)CCC1 ZINC000068962349 493900200 /nfs/dbraw/zinc/90/02/00/493900200.db2.gz IQTHAYIHIISRBV-UHFFFAOYSA-N -1 3 367.840 3.258 20 0 FGADHM CCc1ccc([O-])c(C(=O)NC[C@@H](c2cccc(C)c2)N2CCOCC2)c1 ZINC000060322057 493922817 /nfs/dbraw/zinc/92/28/17/493922817.db2.gz DHIWKAXWJYEOEE-FQEVSTJZSA-N -1 3 368.477 3.066 20 0 FGADHM C[C@@H](COc1cccc(F)c1)[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000060509663 493939892 /nfs/dbraw/zinc/93/98/92/493939892.db2.gz JLNDCOXVBSPZCV-JTQLQIEISA-N -1 3 361.797 3.364 20 0 FGADHM COc1ccc(C(=O)N[C@@H](C)c2ccc(NC(=O)C3CC3)cc2)c([O-])c1 ZINC000031393559 493941454 /nfs/dbraw/zinc/94/14/54/493941454.db2.gz ZZZWMBQKRCKKFH-LBPRGKRZSA-N -1 3 354.406 3.240 20 0 FGADHM Cc1cnn(-c2ccc(C(=O)Nc3n[n-]c(-c4ccccc4F)n3)cc2)c1 ZINC000076687353 493950062 /nfs/dbraw/zinc/95/00/62/493950062.db2.gz VSZNJIGZBBGOAO-UHFFFAOYSA-N -1 3 362.368 3.357 20 0 FGADHM COC(=O)c1c(C)nc(=O)[n-]c1SCc1c(Cl)cccc1Cl ZINC000031618074 493952292 /nfs/dbraw/zinc/95/22/92/493952292.db2.gz MXOHNWRVRBJLBC-UHFFFAOYSA-N -1 3 359.234 3.464 20 0 FGADHM CCCS(=O)(=O)[N-]c1ccc(C(=O)Nc2sc(C)nc2C)cc1 ZINC000081927134 493965982 /nfs/dbraw/zinc/96/59/82/493965982.db2.gz WOPUMXFIXOBJSD-UHFFFAOYSA-N -1 3 353.469 3.164 20 0 FGADHM CS(=O)(=O)[N-]c1cc(NC(=O)[C@H]2C[C@H]2c2ccc(F)cc2)ccc1F ZINC000032001906 493970571 /nfs/dbraw/zinc/97/05/71/493970571.db2.gz DZNCFCJGSHTKJQ-KBPBESRZSA-N -1 3 366.389 3.079 20 0 FGADHM CCc1cccc(C(=O)N2CCC(C(=O)N3CCC(C)CC3)CC2)c1[O-] ZINC000081944212 493971414 /nfs/dbraw/zinc/97/14/14/493971414.db2.gz DCRKTPNAZOLGLA-UHFFFAOYSA-N -1 3 358.482 3.065 20 0 FGADHM CCc1cccc(C(=O)N2CCC(NC(=O)NC3CCCCC3)CC2)c1[O-] ZINC000081945389 493971602 /nfs/dbraw/zinc/97/16/02/493971602.db2.gz ZCHDYWCYVLTCPK-UHFFFAOYSA-N -1 3 373.497 3.191 20 0 FGADHM CCc1cccc(C(=O)N2CCC(NC(=O)C3CCCCC3)CC2)c1[O-] ZINC000081957953 493971686 /nfs/dbraw/zinc/97/16/86/493971686.db2.gz PXARTDXZSLWQTQ-UHFFFAOYSA-N -1 3 358.482 3.256 20 0 FGADHM Cc1c([N-]S(=O)(=O)C[C@H]2CCCCO2)cccc1OCC(F)(F)F ZINC000076937271 493992492 /nfs/dbraw/zinc/99/24/92/493992492.db2.gz KECBGSOYEVTSJB-GFCCVEGCSA-N -1 3 367.389 3.247 20 0 FGADHM Cc1csc(S[C@H](C)C(=O)c2ccc([N-]S(C)(=O)=O)cc2)n1 ZINC000007026541 493994860 /nfs/dbraw/zinc/99/48/60/493994860.db2.gz WNJWMTQWUDZROT-SNVBAGLBSA-N -1 3 356.494 3.187 20 0 FGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000076955920 493996571 /nfs/dbraw/zinc/99/65/71/493996571.db2.gz WOUGHCADHVMXGN-VXGBXAGGSA-N -1 3 357.776 3.401 20 0 FGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000076955920 493996572 /nfs/dbraw/zinc/99/65/72/493996572.db2.gz WOUGHCADHVMXGN-VXGBXAGGSA-N -1 3 357.776 3.401 20 0 FGADHM CCOc1ccccc1N1C[C@@H](C(=O)Nc2cc(Cl)ccc2[O-])CC1=O ZINC000069693478 493998697 /nfs/dbraw/zinc/99/86/97/493998697.db2.gz CLZUPKIKELEWCA-LBPRGKRZSA-N -1 3 374.824 3.436 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)c1ccc(F)cc1F ZINC000007306620 494014771 /nfs/dbraw/zinc/01/47/71/494014771.db2.gz ZZWJUQPTZIFTMD-ZETCQYMHSA-N -1 3 351.296 3.422 20 0 FGADHM CCCCC1CCC(NC(=O)CC[N-]S(=O)(=O)c2cccs2)CC1 ZINC000062518038 494015668 /nfs/dbraw/zinc/01/56/68/494015668.db2.gz MJNZVGKCJRJXSD-UHFFFAOYSA-N -1 3 372.556 3.282 20 0 FGADHM CCCCC1CCC([N-]S(=O)(=O)c2ccccc2S(C)(=O)=O)CC1 ZINC000063198768 494032548 /nfs/dbraw/zinc/03/25/48/494032548.db2.gz ILZSNXRDCQJSFW-UHFFFAOYSA-N -1 3 373.540 3.117 20 0 FGADHM Cn1c2ccccc2nc1C[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000007674609 494034628 /nfs/dbraw/zinc/03/46/28/494034628.db2.gz DPLJRQDTNSBFBB-UHFFFAOYSA-N -1 3 370.261 3.359 20 0 FGADHM CS(=O)(=O)[N-]c1ccc(C(=O)NCc2csc3ccccc23)cc1 ZINC000077229784 494037557 /nfs/dbraw/zinc/03/75/57/494037557.db2.gz ZNXMSUAGGYTERV-UHFFFAOYSA-N -1 3 360.460 3.203 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H](CCCO)c3ccccc3)nc2)n1 ZINC000077238001 494040343 /nfs/dbraw/zinc/04/03/43/494040343.db2.gz BEUJKFNHDYMTMR-GOSISDBHSA-N -1 3 364.449 3.320 20 0 FGADHM C[C@H]1CCCC[C@@H]1NC(=O)Cc1nc(=O)c2c3ccccc3sc2[n-]1 ZINC000077251853 494043232 /nfs/dbraw/zinc/04/32/32/494043232.db2.gz JIEAGGBNGTVTJV-AAEUAGOBSA-N -1 3 355.463 3.375 20 0 FGADHM Cc1ccc(F)cc1NC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000063451222 494055236 /nfs/dbraw/zinc/05/52/36/494055236.db2.gz LYJGJINQPDIADS-UHFFFAOYSA-N -1 3 366.396 3.159 20 0 FGADHM Cc1ccc([O-])c(NC(=O)c2ccc(=O)n(Cc3ccccc3Cl)c2)n1 ZINC000574117254 505696941 /nfs/dbraw/zinc/69/69/41/505696941.db2.gz GKVZOMWPJVVSDF-UHFFFAOYSA-N -1 3 369.808 3.211 20 0 FGADHM COCCNC(=O)c1ccc(Cl)c([N-]C(=O)c2cc(C(C)C)no2)c1 ZINC000070844232 494060972 /nfs/dbraw/zinc/06/09/72/494060972.db2.gz QJRHVUQMFKNLNH-UHFFFAOYSA-N -1 3 365.817 3.080 20 0 FGADHM COc1ccccc1-c1nc(NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)n[n-]1 ZINC000052778867 494061054 /nfs/dbraw/zinc/06/10/54/494061054.db2.gz SMWTWSUIFNGETP-LSDHHAIUSA-N -1 3 352.369 3.362 20 0 FGADHM C[C@H]1CN(Cc2ccccc2)CCCN1Cc1nc(=O)c2sccc2[n-]1 ZINC000077371882 494068518 /nfs/dbraw/zinc/06/85/18/494068518.db2.gz DBDNCBIRWWLZFN-HNNXBMFYSA-N -1 3 368.506 3.081 20 0 FGADHM O=C(NCc1ccco1)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000008180796 494073950 /nfs/dbraw/zinc/07/39/50/494073950.db2.gz PGIGPLIRZZDNCX-UHFFFAOYSA-N -1 3 374.393 3.150 20 0 FGADHM CCOc1ccccc1[C@H](CC(=O)Nc1ccc(C)cc1[O-])NC(C)=O ZINC000077424377 494081279 /nfs/dbraw/zinc/08/12/79/494081279.db2.gz CMXIFZLYUZAUGO-KRWDZBQOSA-N -1 3 356.422 3.305 20 0 FGADHM Cc1ccc(NC(=O)c2nn(CC(C)C)c(=O)c3ccccc32)c([O-])c1 ZINC000008378330 494087396 /nfs/dbraw/zinc/08/73/96/494087396.db2.gz FTAQRJNCZSCEBJ-UHFFFAOYSA-N -1 3 351.406 3.319 20 0 FGADHM Cc1ccc(/C=C/CC(=O)Nc2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)cc1 ZINC000084743587 494095271 /nfs/dbraw/zinc/09/52/71/494095271.db2.gz QVLOWWPHWNHZQC-SHTLVRLNSA-N -1 3 363.417 3.092 20 0 FGADHM COc1cc(F)c(S(=O)(=O)[N-]Cc2ccc([C@@H]3C[C@@H]3C)o2)cc1OC ZINC000077617199 494126215 /nfs/dbraw/zinc/12/62/15/494126215.db2.gz HILGSUWEPOQSQC-CMPLNLGQSA-N -1 3 369.414 3.038 20 0 FGADHM COC(=O)c1c(C)cccc1S(=O)(=O)[N-]c1cc(OC)ccc1Cl ZINC000064477270 494127239 /nfs/dbraw/zinc/12/72/39/494127239.db2.gz JQPVQBRQABSREB-UHFFFAOYSA-N -1 3 369.826 3.244 20 0 FGADHM CCOc1ccccc1OCCCC(=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000053524607 494143144 /nfs/dbraw/zinc/14/31/44/494143144.db2.gz XJZORXSPWWFJBL-UHFFFAOYSA-N -1 3 367.409 3.063 20 0 FGADHM CCOc1ccccc1OCCCC(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000053524607 494143147 /nfs/dbraw/zinc/14/31/47/494143147.db2.gz XJZORXSPWWFJBL-UHFFFAOYSA-N -1 3 367.409 3.063 20 0 FGADHM CCOc1ccccc1OCCCC(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000053524607 494143151 /nfs/dbraw/zinc/14/31/51/494143151.db2.gz XJZORXSPWWFJBL-UHFFFAOYSA-N -1 3 367.409 3.063 20 0 FGADHM O=C(Nc1nnc(-c2ccccn2)[n-]1)c1ccc(OCC(F)(F)F)cc1 ZINC000053526977 494143204 /nfs/dbraw/zinc/14/32/04/494143204.db2.gz YWHBPHPXEAPDAT-UHFFFAOYSA-N -1 3 363.299 3.060 20 0 FGADHM O=C(Nc1nc(-c2ccccn2)n[n-]1)c1ccc(OCC(F)(F)F)cc1 ZINC000053526977 494143206 /nfs/dbraw/zinc/14/32/06/494143206.db2.gz YWHBPHPXEAPDAT-UHFFFAOYSA-N -1 3 363.299 3.060 20 0 FGADHM O=C(Nc1n[n-]c(-c2ccccn2)n1)c1ccc(OCC(F)(F)F)cc1 ZINC000053526977 494143209 /nfs/dbraw/zinc/14/32/09/494143209.db2.gz YWHBPHPXEAPDAT-UHFFFAOYSA-N -1 3 363.299 3.060 20 0 FGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]C[C@@]1(O)CCC[C@@H]1C ZINC000580204598 505703375 /nfs/dbraw/zinc/70/33/75/505703375.db2.gz SQPTXKIYONCYIB-QFYYESIMSA-N -1 3 357.859 3.224 20 0 FGADHM O=C(NC[C@@H](c1cccs1)N1CCCC1)c1cc(=O)c2ccccc2[n-]1 ZINC000041801083 494179682 /nfs/dbraw/zinc/17/96/82/494179682.db2.gz IJPSLGOESGKNOJ-KRWDZBQOSA-N -1 3 367.474 3.157 20 0 FGADHM CCc1noc(CC)c1CC(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000087191756 494181526 /nfs/dbraw/zinc/18/15/26/494181526.db2.gz AKEUKEFDRPTHGX-UHFFFAOYSA-N -1 3 366.421 3.039 20 0 FGADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)NC(c1ccccc1)c1ccccc1 ZINC000065751720 494234057 /nfs/dbraw/zinc/23/40/57/494234057.db2.gz HPHRPGNIBINZEP-UHFFFAOYSA-N -1 3 371.396 3.481 20 0 FGADHM CC(C)c1ccc(CCNC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)cc1 ZINC000065752927 494234228 /nfs/dbraw/zinc/23/42/28/494234228.db2.gz ZWEDSUHQWNOAOW-UHFFFAOYSA-N -1 3 351.406 3.058 20 0 FGADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000065769962 494235948 /nfs/dbraw/zinc/23/59/48/494235948.db2.gz OFGUHTJIYCUOAT-INIZCTEOSA-N -1 3 369.808 3.496 20 0 FGADHM CCCCN1Cc2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCO4)cc2C1 ZINC000568497066 505709262 /nfs/dbraw/zinc/70/92/62/505709262.db2.gz YNZGHRPSEKCSBQ-UHFFFAOYSA-N -1 3 374.462 3.332 20 0 FGADHM CSc1ccc([C@@H](C)NC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)cc1 ZINC000065789959 494238571 /nfs/dbraw/zinc/23/85/71/494238571.db2.gz OBVXFWQMELDTRG-SNVBAGLBSA-N -1 3 355.419 3.175 20 0 FGADHM O=S(=O)([N-]C[C@@H](c1ccco1)N1CCCC1)c1cccc(Cl)c1F ZINC000042985821 494255036 /nfs/dbraw/zinc/25/50/36/494255036.db2.gz HMENZFRFZYBJIG-ZDUSSCGKSA-N -1 3 372.849 3.188 20 0 FGADHM O=C(Nc1ccn(CCc2ccncc2)n1)c1c[n-]nc1-c1ccccc1 ZINC000066086390 494274897 /nfs/dbraw/zinc/27/48/97/494274897.db2.gz SSXJVHVMIRJLFF-UHFFFAOYSA-N -1 3 358.405 3.163 20 0 FGADHM Cc1cc(C)[n-]c(=NNC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)n1 ZINC000014513677 494319330 /nfs/dbraw/zinc/31/93/30/494319330.db2.gz JJDHLYMGQDCNOJ-UHFFFAOYSA-N -1 3 357.414 3.197 20 0 FGADHM Cc1ccc(C(=O)N2CCC(NC(=O)NC3CCCCC3)CC2)c([O-])c1C ZINC000055409060 494339708 /nfs/dbraw/zinc/33/97/08/494339708.db2.gz SSHLANNOMMHBAB-UHFFFAOYSA-N -1 3 373.497 3.246 20 0 FGADHM Cc1nc(-c2ccc(NC(=O)N3CCC[C@@H]3c3cc[nH]n3)cc2)cc(=O)[n-]1 ZINC000571360016 505714853 /nfs/dbraw/zinc/71/48/53/505714853.db2.gz OSSCVDADLZSHOM-QGZVFWFLSA-N -1 3 364.409 3.250 20 0 FGADHM C[C@@H](CC(C)(C)C)c1nc(-c2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)no1 ZINC000571363364 505714974 /nfs/dbraw/zinc/71/49/74/505714974.db2.gz YKWRXRGXCYRTOH-WLRWDXFRSA-N -1 3 356.426 3.331 20 0 FGADHM Cc1cc(Br)oc1C(=O)[N-]c1ccccc1SCC(N)=O ZINC000044349124 494352745 /nfs/dbraw/zinc/35/27/45/494352745.db2.gz RWHMPCFGAOFDGP-UHFFFAOYSA-N -1 3 369.240 3.180 20 0 FGADHM COc1ccc(Br)cc1S(=O)(=O)[N-]C1(C)CCCCC1 ZINC000044368650 494353858 /nfs/dbraw/zinc/35/38/58/494353858.db2.gz CTANSAOCTQZPNQ-UHFFFAOYSA-N -1 3 362.289 3.459 20 0 FGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)NCC2(C)CCCC2)cc1OC ZINC000066595179 494362802 /nfs/dbraw/zinc/36/28/02/494362802.db2.gz DRZRLVOLBHWOJC-UHFFFAOYSA-N -1 3 369.487 3.159 20 0 FGADHM CCc1cc(=O)[nH]c(-c2cccc([N-]S(=O)(=O)c3ccc(C)cc3)c2)n1 ZINC000055621146 494374846 /nfs/dbraw/zinc/37/48/46/494374846.db2.gz INZIXKMIOLQVOV-UHFFFAOYSA-N -1 3 369.446 3.109 20 0 FGADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1Cl ZINC000055633025 494377476 /nfs/dbraw/zinc/37/74/76/494377476.db2.gz SRSNVZISVIHABO-UHFFFAOYSA-N -1 3 368.842 3.498 20 0 FGADHM COc1ccc([O-])c(C(=O)NCc2ccc(OCc3ccccn3)cc2)c1 ZINC000078997740 494390411 /nfs/dbraw/zinc/39/04/11/494390411.db2.gz PVPQMAFFLUMHHG-UHFFFAOYSA-N -1 3 364.401 3.305 20 0 FGADHM CC(=O)c1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])cc1C ZINC000089943988 494409129 /nfs/dbraw/zinc/40/91/29/494409129.db2.gz YRZQMFUMXVQYTD-SFHVURJKSA-N -1 3 366.417 3.147 20 0 FGADHM Cc1c(C(=O)[N-]c2nnc(C(C)(C)C)s2)nnn1-c1cccc(C)c1 ZINC000055977666 494438054 /nfs/dbraw/zinc/43/80/54/494438054.db2.gz UTHHMVDVMTXGTP-UHFFFAOYSA-N -1 3 356.455 3.285 20 0 FGADHM NC(=O)CSc1ccccc1[N-]C(=O)c1cc(-c2ccccc2)on1 ZINC000045568862 494440128 /nfs/dbraw/zinc/44/01/28/494440128.db2.gz SGOJYZIRQJNKIC-UHFFFAOYSA-N -1 3 353.403 3.171 20 0 FGADHM O=S(=O)([N-]Cc1cnn(Cc2ccccc2)c1)c1ccc(Cl)s1 ZINC000056064555 494449203 /nfs/dbraw/zinc/44/92/03/494449203.db2.gz JSQRXCDITCXFSO-UHFFFAOYSA-N -1 3 367.883 3.125 20 0 FGADHM O=S(=O)([N-]Cc1ccc(N2CCCCC2)nc1)c1ccc(Cl)s1 ZINC000056071214 494449975 /nfs/dbraw/zinc/44/99/75/494449975.db2.gz BLSAJKAKQKZHST-UHFFFAOYSA-N -1 3 371.915 3.265 20 0 FGADHM CC(C)Oc1ccccc1C[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000056139496 494460820 /nfs/dbraw/zinc/46/08/20/494460820.db2.gz CGFWDCMGKZECHR-UHFFFAOYSA-N -1 3 359.369 3.370 20 0 FGADHM Cc1nncn1-c1cccc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)c1 ZINC000090421670 494465454 /nfs/dbraw/zinc/46/54/54/494465454.db2.gz 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/nfs/dbraw/zinc/51/77/90/494517790.db2.gz GXMJVWAHZBQWFD-UHFFFAOYSA-N -1 3 352.192 3.315 20 0 FGADHM Fc1ccccc1-c1n[n-]c(Sc2ncc(Br)cn2)n1 ZINC000067349179 494517794 /nfs/dbraw/zinc/51/77/94/494517794.db2.gz GXMJVWAHZBQWFD-UHFFFAOYSA-N -1 3 352.192 3.315 20 0 FGADHM COC[C@H]([N-]S(=O)(=O)c1cc(F)ccc1C)c1ccc(F)c(F)c1 ZINC000091056399 494520465 /nfs/dbraw/zinc/52/04/65/494520465.db2.gz IDUUUWSGVATKAT-HNNXBMFYSA-N -1 3 359.369 3.078 20 0 FGADHM C[C@H]1CN(C(=O)NCc2ccc([O-])c(F)c2)C[C@@H](c2ccc(F)cc2)O1 ZINC000074374709 494525969 /nfs/dbraw/zinc/52/59/69/494525969.db2.gz KWGUQLRZRUTGGB-SGTLLEGYSA-N -1 3 362.376 3.342 20 0 FGADHM COc1ccc(CN2CCCN(C(=O)c3cc(C)ccc3[O-])CC2)cc1 ZINC000023244934 494557946 /nfs/dbraw/zinc/55/79/46/494557946.db2.gz YCWDUUOSFIZNOZ-UHFFFAOYSA-N -1 3 354.450 3.057 20 0 FGADHM CC(C)c1nn(C)c2sc(C(=O)Nc3n[n-]c(-c4ccco4)n3)cc12 ZINC000079988434 494563525 /nfs/dbraw/zinc/56/35/25/494563525.db2.gz IAOBEJTWCZGHHP-UHFFFAOYSA-N -1 3 356.411 3.389 20 0 FGADHM O=S(=O)(CCC1CC1)[N-]c1cnn(-c2ncc(Cl)cc2Cl)c1 ZINC000092277917 494580767 /nfs/dbraw/zinc/58/07/67/494580767.db2.gz CDWGXWCWBILTJM-UHFFFAOYSA-N -1 3 361.254 3.116 20 0 FGADHM CC[C@H](C)[C@H](C)NC(=O)Cc1csc(NC(=O)c2cccc([O-])c2)n1 ZINC000080068098 494583333 /nfs/dbraw/zinc/58/33/33/494583333.db2.gz GDPFLXPXSDOZRE-RYUDHWBXSA-N -1 3 361.467 3.194 20 0 FGADHM CC(C)(C)CCNC(=O)Cc1csc(NC(=O)c2cccc([O-])c2)n1 ZINC000080065557 494583641 /nfs/dbraw/zinc/58/36/41/494583641.db2.gz YAAGAVVMXRLDSP-UHFFFAOYSA-N -1 3 361.467 3.196 20 0 FGADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)CC1CCC1 ZINC000080071682 494584735 /nfs/dbraw/zinc/58/47/35/494584735.db2.gz LEPIWXSJURSWKL-UHFFFAOYSA-N -1 3 350.362 3.206 20 0 FGADHM Cc1ccc(C(=O)Nc2cccc(N3C(=O)NC(C)(C)C3=O)c2)c([O-])c1C ZINC000568590941 505729805 /nfs/dbraw/zinc/72/98/05/505729805.db2.gz ZMSIWPVWUTZQMR-UHFFFAOYSA-N -1 3 367.405 3.096 20 0 FGADHM CCOc1cc2c(cc1CNC(=O)c1ccc(OC)cc1[O-])O[C@@H](C)C2 ZINC000024080795 494605027 /nfs/dbraw/zinc/60/50/27/494605027.db2.gz YRGGEDASMUTQDG-LBPRGKRZSA-N -1 3 357.406 3.053 20 0 FGADHM CCOc1ccc(C(=O)N(C)C)cc1NC(=O)c1cc(CC)ccc1[O-] ZINC000092422092 494620705 /nfs/dbraw/zinc/62/07/05/494620705.db2.gz YXPDIBJOCCAOOV-UHFFFAOYSA-N -1 3 356.422 3.307 20 0 FGADHM O=S(=O)([N-][C@H]1CCCc2cc(OC(F)F)ccc21)c1ccccn1 ZINC000131473841 494631642 /nfs/dbraw/zinc/63/16/42/494631642.db2.gz LFHKZHZFCRVTNV-AWEZNQCLSA-N -1 3 354.378 3.039 20 0 FGADHM CCCS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc3c(c2)COC3)cc1 ZINC000091669062 494638865 /nfs/dbraw/zinc/63/88/65/494638865.db2.gz QZUYXRWBPDVGLJ-UHFFFAOYSA-N -1 3 360.435 3.121 20 0 FGADHM CC[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)CCc2ccccc2)cc1 ZINC000057121493 494646483 /nfs/dbraw/zinc/64/64/83/494646483.db2.gz OWNKQWFNICXYJS-OAHLLOKOSA-N -1 3 360.479 3.199 20 0 FGADHM COc1cc(CNC(=O)c2ccc3n[n-]nc3c2)ccc1OCCC(C)C ZINC000047188033 494651473 /nfs/dbraw/zinc/65/14/73/494651473.db2.gz CRCNLUCTDWWTJU-UHFFFAOYSA-N -1 3 368.437 3.321 20 0 FGADHM O=S(=O)([N-]CCN1CCCCCC1)c1cccc(Cl)c1Cl ZINC000024682748 494655052 /nfs/dbraw/zinc/65/50/52/494655052.db2.gz IZENCANAZOPQSK-UHFFFAOYSA-N -1 3 351.299 3.148 20 0 FGADHM C[C@@H](C1CC1)n1cc([N-]S(=O)(=O)CCCOCc2ccccc2)cn1 ZINC000580328519 505734121 /nfs/dbraw/zinc/73/41/21/505734121.db2.gz XKVKHBUXVSMJLM-HNNXBMFYSA-N -1 3 363.483 3.203 20 0 FGADHM Cc1ccc(C(=O)Nc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)c([O-])c1 ZINC000126184550 494664396 /nfs/dbraw/zinc/66/43/96/494664396.db2.gz CKQOQWJHXIEVTJ-HUUCEWRRSA-N -1 3 368.433 3.202 20 0 FGADHM COc1ccc2c(c1)CCC[C@H]2CC(=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000057172732 494665461 /nfs/dbraw/zinc/66/54/61/494665461.db2.gz PGZLTLKEFWDIHU-AWEZNQCLSA-N -1 3 363.421 3.324 20 0 FGADHM COc1ccc2c(c1)CCC[C@H]2CC(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000057172732 494665469 /nfs/dbraw/zinc/66/54/69/494665469.db2.gz PGZLTLKEFWDIHU-AWEZNQCLSA-N -1 3 363.421 3.324 20 0 FGADHM COc1ccc2c(c1)CCC[C@H]2CC(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000057172732 494665476 /nfs/dbraw/zinc/66/54/76/494665476.db2.gz PGZLTLKEFWDIHU-AWEZNQCLSA-N -1 3 363.421 3.324 20 0 FGADHM CCCCC1CCC(C(=O)Nc2ccc(C[C@@H]3NC(=O)[N-]C3=O)cc2)CC1 ZINC000091752259 494666493 /nfs/dbraw/zinc/66/64/93/494666493.db2.gz LDDLOGAYHVIYQA-PVARCSIZSA-N -1 3 371.481 3.372 20 0 FGADHM CCCCC1CCC(C(=O)Nc2ccc(C[C@H]3NC(=O)[N-]C3=O)cc2)CC1 ZINC000091752257 494667205 /nfs/dbraw/zinc/66/72/05/494667205.db2.gz LDDLOGAYHVIYQA-JFUPDXTOSA-N -1 3 371.481 3.372 20 0 FGADHM Cc1ccc(CC(=O)[N-]OCc2nc(Cc3ccccc3C)no2)cc1 ZINC000080285499 494667405 /nfs/dbraw/zinc/66/74/05/494667405.db2.gz MJRUNOAHGKRDPA-UHFFFAOYSA-N -1 3 351.406 3.068 20 0 FGADHM O=C(NCCNC(=O)c1ccccc1Cc1ccccc1)c1ccc([O-])cc1 ZINC000108250946 494670728 /nfs/dbraw/zinc/67/07/28/494670728.db2.gz VBDIIBJHJXKTNL-UHFFFAOYSA-N -1 3 374.440 3.143 20 0 FGADHM O=C(CNC(=O)CC1CCCCC1)Nc1ccc(Br)cc1[O-] ZINC000126207026 494673423 /nfs/dbraw/zinc/67/34/23/494673423.db2.gz PBXFTKDBLJDSFJ-UHFFFAOYSA-N -1 3 369.259 3.180 20 0 FGADHM COc1ccccc1[C@@H](NC(=O)c1ccc2n[n-]nc2c1)c1ccccc1 ZINC000108283750 494673428 /nfs/dbraw/zinc/67/34/28/494673428.db2.gz KHIKNKYVHZPPJZ-FQEVSTJZSA-N -1 3 358.401 3.486 20 0 FGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)CCSc1ccc(F)cc1 ZINC000024885621 494674798 /nfs/dbraw/zinc/67/47/98/494674798.db2.gz QVRWJOGTWOSUBF-UHFFFAOYSA-N -1 3 368.455 3.318 20 0 FGADHM CC(=O)c1c(C)[nH]c(C(=O)Nc2cccc(-c3nc(C)cc(=O)[n-]3)c2)c1C ZINC000047329147 494682246 /nfs/dbraw/zinc/68/22/46/494682246.db2.gz KJZVFNKXYWAVLL-UHFFFAOYSA-N -1 3 364.405 3.145 20 0 FGADHM O=c1[n-]c(CN2CCC([C@H](O)c3ccc(F)cc3)CC2)nc2ccsc21 ZINC000108387811 494694648 /nfs/dbraw/zinc/69/46/48/494694648.db2.gz YHQJVQYSVGOCNN-QGZVFWFLSA-N -1 3 373.453 3.069 20 0 FGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2c(C)oc(C)c2C)cc1OC ZINC000080436365 494702421 /nfs/dbraw/zinc/70/24/21/494702421.db2.gz JGDOEXUKRWNVIG-UHFFFAOYSA-N -1 3 366.439 3.227 20 0 FGADHM CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)Nc1ccc(C)cc1[O-] ZINC000047430094 494705766 /nfs/dbraw/zinc/70/57/66/494705766.db2.gz GTXQLXYJRYKQKU-QGZVFWFLSA-N -1 3 368.433 3.343 20 0 FGADHM Cc1csc([C@@H](C)[N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2)n1 ZINC000067951057 494707755 /nfs/dbraw/zinc/70/77/55/494707755.db2.gz BKPIIPLNCGDSHY-SECBINFHSA-N -1 3 366.386 3.390 20 0 FGADHM CC[C@H](C)[C@@H](C)NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000057306126 494708859 /nfs/dbraw/zinc/70/88/59/494708859.db2.gz NSNUFEWIKLCAPR-NWDGAFQWSA-N -1 3 367.446 3.119 20 0 FGADHM Cc1cc([N-]C(=O)[C@H](C)N2CCC(OCc3ccc(F)cc3)CC2)on1 ZINC000091887306 494711598 /nfs/dbraw/zinc/71/15/98/494711598.db2.gz RUQPGZOAJIQIQJ-AWEZNQCLSA-N -1 3 361.417 3.130 20 0 FGADHM CCc1cccc(S(=O)(=O)[N-]c2ncc(OC)cc2Br)c1 ZINC000568615160 505737347 /nfs/dbraw/zinc/73/73/47/505737347.db2.gz XPCCTTXSKKWEFQ-UHFFFAOYSA-N -1 3 371.256 3.216 20 0 FGADHM CC(C)c1cc(C(=O)N2CCN(C(=O)N(C)C)CC2)c([O-])c(C(C)C)c1 ZINC000121385122 494731959 /nfs/dbraw/zinc/73/19/59/494731959.db2.gz CUAZWLNZVVOQMN-UHFFFAOYSA-N -1 3 361.486 3.078 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1F)c1ccccc1-n1cccn1 ZINC000131802150 494735615 /nfs/dbraw/zinc/73/56/15/494735615.db2.gz ORLPZNFHYVYDMN-GFCCVEGCSA-N -1 3 363.389 3.190 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H](COC)c3ccccc3)nc2)n1 ZINC000091981457 494743036 /nfs/dbraw/zinc/74/30/36/494743036.db2.gz UBZLARJVXOIDBO-QGZVFWFLSA-N -1 3 350.422 3.194 20 0 FGADHM Cc1cc(F)c(S(=O)(=O)[N-][C@H](CCCO)c2ccccc2)cc1F ZINC000121409755 494743466 /nfs/dbraw/zinc/74/34/66/494743466.db2.gz BGRNFRCXCUQABW-MRXNPFEDSA-N -1 3 355.406 3.065 20 0 FGADHM Cc1cc(=O)n(C)cc1NC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000091992757 494747093 /nfs/dbraw/zinc/74/70/93/494747093.db2.gz LWWAUKPFJCLVIX-UHFFFAOYSA-N -1 3 362.429 3.437 20 0 FGADHM Cc1cc(C)nc(SCC(=O)Nc2cc(Br)ccc2[O-])n1 ZINC000126435896 494750272 /nfs/dbraw/zinc/75/02/72/494750272.db2.gz PUNCEJSMUFMDHV-UHFFFAOYSA-N -1 3 368.256 3.292 20 0 FGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]CCC2C[C@@H](C)O[C@H](C)C2)c1 ZINC000574293521 505739691 /nfs/dbraw/zinc/73/96/91/505739691.db2.gz BJZGGUAIHJHIJW-VXGBXAGGSA-N -1 3 361.891 3.221 20 0 FGADHM CS(=O)(=O)[N-]c1cc(NC(=O)C2(c3ccccc3)CCC2)ccc1F ZINC000025670854 494767555 /nfs/dbraw/zinc/76/75/55/494767555.db2.gz WTDPSLYGXDBTFR-UHFFFAOYSA-N -1 3 362.426 3.258 20 0 FGADHM CC(C)CN(C)c1ccc(C(=O)Nc2nnc(-c3ccccn3)[n-]2)cc1 ZINC000116373957 494769100 /nfs/dbraw/zinc/76/91/00/494769100.db2.gz FGXJUTZLCRLREJ-UHFFFAOYSA-N -1 3 350.426 3.211 20 0 FGADHM CC(C)CN(C)c1ccc(C(=O)Nc2nc(-c3ccccn3)n[n-]2)cc1 ZINC000116373957 494769105 /nfs/dbraw/zinc/76/91/05/494769105.db2.gz FGXJUTZLCRLREJ-UHFFFAOYSA-N -1 3 350.426 3.211 20 0 FGADHM CC(C)CN(C)c1ccc(C(=O)Nc2n[n-]c(-c3ccccn3)n2)cc1 ZINC000116373957 494769111 /nfs/dbraw/zinc/76/91/11/494769111.db2.gz FGXJUTZLCRLREJ-UHFFFAOYSA-N -1 3 350.426 3.211 20 0 FGADHM CCc1ccc([C@@H](C)C(=O)Nc2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)cc1 ZINC000075478778 494774477 /nfs/dbraw/zinc/77/44/77/494774477.db2.gz DDQDRNCJNRNDJQ-LRTDBIEQSA-N -1 3 365.433 3.046 20 0 FGADHM 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CCCO[C@H]1CCCN(c2ccc(-c3nc(CC)cc(=O)[n-]3)cn2)CC1 ZINC000109321425 494859551 /nfs/dbraw/zinc/85/95/51/494859551.db2.gz AFJWWMJHCLVYMN-KRWDZBQOSA-N -1 3 356.470 3.180 20 0 FGADHM Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)CCc2c(C)nc(C)[n-]c2=O)C1 ZINC000121789440 494860535 /nfs/dbraw/zinc/86/05/35/494860535.db2.gz FPVSJGKOKFOUHX-PBHICJAKSA-N -1 3 353.466 3.032 20 0 FGADHM Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)CCc2c(C)nc(C)[n-]c2=O)C1 ZINC000121789322 494861069 /nfs/dbraw/zinc/86/10/69/494861069.db2.gz FPVSJGKOKFOUHX-RHSMWYFYSA-N -1 3 353.466 3.032 20 0 FGADHM O=c1[n-]c(CN2CCCCC[C@@H]2C[C@H](O)c2ccco2)nc2ccsc21 ZINC000121811293 494866033 /nfs/dbraw/zinc/86/60/33/494866033.db2.gz NWSQDEHIEKQINC-HIFRSBDPSA-N -1 3 373.478 3.446 20 0 FGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)Cc1ccc(F)cc1Cl ZINC000093317215 494867519 /nfs/dbraw/zinc/86/75/19/494867519.db2.gz KLQJXHXIYDYPAN-UHFFFAOYSA-N -1 3 354.765 3.387 20 0 FGADHM Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)Nc1ccc([O-])cc1F ZINC000121822628 494867608 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C[C@H](c1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1nc(C2CC2)n[n-]1 ZINC000127126313 494897880 /nfs/dbraw/zinc/89/78/80/494897880.db2.gz WAEANCXYYIQCQD-MRVPVSSYSA-N -1 3 361.345 3.116 20 0 FGADHM C[C@H](c1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1nnc(C2CC2)[n-]1 ZINC000127126313 494897883 /nfs/dbraw/zinc/89/78/83/494897883.db2.gz WAEANCXYYIQCQD-MRVPVSSYSA-N -1 3 361.345 3.116 20 0 FGADHM C[C@@H](c1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1nc(C2CC2)n[n-]1 ZINC000127126095 494898074 /nfs/dbraw/zinc/89/80/74/494898074.db2.gz WAEANCXYYIQCQD-QMMMGPOBSA-N -1 3 361.345 3.116 20 0 FGADHM C[C@@H](c1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1nnc(C2CC2)[n-]1 ZINC000127126095 494898077 /nfs/dbraw/zinc/89/80/77/494898077.db2.gz WAEANCXYYIQCQD-QMMMGPOBSA-N -1 3 361.345 3.116 20 0 FGADHM CN(C)CCOc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2)cc1 ZINC000093867871 494928299 /nfs/dbraw/zinc/92/82/99/494928299.db2.gz NBBXOZHZAUEPJR-UHFFFAOYSA-N -1 3 354.859 3.081 20 0 FGADHM O=C(COc1ccc(Cl)c2cccnc12)Nc1nnc(-c2ccco2)[n-]1 ZINC000132852390 494933380 /nfs/dbraw/zinc/93/33/80/494933380.db2.gz GWOICNFRMUHDQU-UHFFFAOYSA-N -1 3 369.768 3.284 20 0 FGADHM O=C(COc1ccc(Cl)c2cccnc12)Nc1nc(-c2ccco2)n[n-]1 ZINC000132852390 494933385 /nfs/dbraw/zinc/93/33/85/494933385.db2.gz GWOICNFRMUHDQU-UHFFFAOYSA-N -1 3 369.768 3.284 20 0 FGADHM O=C(COc1ccc(Cl)c2cccnc12)Nc1n[n-]c(-c2ccco2)n1 ZINC000132852390 494933389 /nfs/dbraw/zinc/93/33/89/494933389.db2.gz GWOICNFRMUHDQU-UHFFFAOYSA-N -1 3 369.768 3.284 20 0 FGADHM CC[C@H](C)[C@H](C)[N-]S(=O)(=O)c1ccc(CCNC(=O)CC(C)C)s1 ZINC000093909060 494933839 /nfs/dbraw/zinc/93/38/39/494933839.db2.gz UQMTYRABMARYRM-KBPBESRZSA-N -1 3 374.572 3.166 20 0 FGADHM CC(C)c1cc(C(=O)NCCc2nnc3n2CCC3)c([O-])c(C(C)C)c1 ZINC000094021057 494940771 /nfs/dbraw/zinc/94/07/71/494940771.db2.gz OGWAQMOTVSVDMU-UHFFFAOYSA-N -1 3 356.470 3.149 20 0 FGADHM CCc1ccc([O-])c(C(=O)N2CCC[C@@H](C(=O)Nc3cccc(C)n3)C2)c1 ZINC000094019270 494940890 /nfs/dbraw/zinc/94/08/90/494940890.db2.gz PMJNRFCARIDUGJ-MRXNPFEDSA-N -1 3 367.449 3.149 20 0 FGADHM COCc1c(C(=O)[N-]c2nc3ccccn3n2)sc2cccc(F)c21 ZINC000132931783 494945099 /nfs/dbraw/zinc/94/50/99/494945099.db2.gz WXCUTAOTSOXGCC-UHFFFAOYSA-N -1 3 356.382 3.482 20 0 FGADHM CCc1ccc([O-])c(C(=O)Nc2cc(C(=O)N3CCCC3)ccc2OC)c1 ZINC000094068206 494946053 /nfs/dbraw/zinc/94/60/53/494946053.db2.gz RZONUBGBUAGNKF-UHFFFAOYSA-N -1 3 368.433 3.452 20 0 FGADHM O=c1nc(CSCCn2ccnc2)[n-]c2scc(-c3ccco3)c21 ZINC000122254889 494947416 /nfs/dbraw/zinc/94/74/16/494947416.db2.gz GQCXUDYILSSYDU-UHFFFAOYSA-N -1 3 358.448 3.375 20 0 FGADHM CN(C)CCN(C(=O)c1ccc(Br)cc1[O-])C1CCCC1 ZINC000094134192 494952977 /nfs/dbraw/zinc/95/29/77/494952977.db2.gz MRBIIKFORNTLLQ-UHFFFAOYSA-N -1 3 355.276 3.101 20 0 FGADHM COCCc1ccc(OCCCC(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000133021477 494956836 /nfs/dbraw/zinc/95/68/36/494956836.db2.gz SPMFTKFJGXDHAO-UHFFFAOYSA-N -1 3 361.413 3.196 20 0 FGADHM CNC(=O)c1ccc(CNC(=O)c2cc(Cc3ccccc3)ccc2[O-])cc1 ZINC000110225184 494959200 /nfs/dbraw/zinc/95/92/00/494959200.db2.gz LTAJTKYJEMTWIV-UHFFFAOYSA-N -1 3 374.440 3.273 20 0 FGADHM O=C([N-]c1nc2ccccn2n1)c1csc(Cc2ccc(F)cc2)n1 ZINC000133059043 494962448 /nfs/dbraw/zinc/96/24/48/494962448.db2.gz PZIOLOXUYOLDQU-UHFFFAOYSA-N -1 3 353.382 3.168 20 0 FGADHM O=C(CCCc1nnc(-c2ccccc2)o1)NCc1ccc([O-])c(F)c1 ZINC000133127521 494973763 /nfs/dbraw/zinc/97/37/63/494973763.db2.gz WDSVZJLFUHKYPO-UHFFFAOYSA-N -1 3 355.369 3.220 20 0 FGADHM CCCN(CC(=O)Nc1ccccc1OC)C(=O)c1ccc(C)cc1[O-] ZINC000127719510 494986653 /nfs/dbraw/zinc/98/66/53/494986653.db2.gz QNEHBDHPSXTMJU-UHFFFAOYSA-N -1 3 356.422 3.200 20 0 FGADHM Cc1ccc(NC(=O)[C@H](C(C)C)S(=O)(=O)C2CCCCC2)c([O-])c1 ZINC000122553443 494993314 /nfs/dbraw/zinc/99/33/14/494993314.db2.gz QPZCZILOSLUTEO-KRWDZBQOSA-N -1 3 353.484 3.411 20 0 FGADHM O=C(CN(Cc1cccnc1)c1ccccc1)Nc1nnc(-c2ccco2)[n-]1 ZINC000118329617 494995321 /nfs/dbraw/zinc/99/53/21/494995321.db2.gz WIDXPHCAPNWAJG-UHFFFAOYSA-N -1 3 374.404 3.105 20 0 FGADHM O=C(CN(Cc1cccnc1)c1ccccc1)Nc1nc(-c2ccco2)n[n-]1 ZINC000118329617 494995323 /nfs/dbraw/zinc/99/53/23/494995323.db2.gz WIDXPHCAPNWAJG-UHFFFAOYSA-N -1 3 374.404 3.105 20 0 FGADHM O=C(CN(Cc1cccnc1)c1ccccc1)Nc1n[n-]c(-c2ccco2)n1 ZINC000118329617 494995326 /nfs/dbraw/zinc/99/53/26/494995326.db2.gz WIDXPHCAPNWAJG-UHFFFAOYSA-N -1 3 374.404 3.105 20 0 FGADHM CCN(Cc1cccc(NC(=O)c2[n-]nc3c2cccc3OC)c1)C(C)=O ZINC000568695263 505754771 /nfs/dbraw/zinc/75/47/71/505754771.db2.gz CCHWBJHBYSWHSI-UHFFFAOYSA-N -1 3 366.421 3.192 20 0 FGADHM CCN(Cc1cccc(NC(=O)c2n[n-]c3c2cccc3OC)c1)C(C)=O ZINC000568695263 505754773 /nfs/dbraw/zinc/75/47/73/505754773.db2.gz CCHWBJHBYSWHSI-UHFFFAOYSA-N -1 3 366.421 3.192 20 0 FGADHM CCCOc1ccc(NC(=O)CCc2c(C)nc(C)[n-]c2=O)cc1Cl ZINC000097016170 495019299 /nfs/dbraw/zinc/01/92/99/495019299.db2.gz FKLJGFYNVDVUHZ-UHFFFAOYSA-N -1 3 363.845 3.400 20 0 FGADHM O=C(c1ccc([O-])cc1)C1CCN(Cc2cccc3c2OCCO3)CC1 ZINC000122771012 495028966 /nfs/dbraw/zinc/02/89/66/495028966.db2.gz URBAPOOSDMZXLW-UHFFFAOYSA-N -1 3 353.418 3.258 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]CCCC(F)(F)F)c(Br)c1 ZINC000097987246 495046243 /nfs/dbraw/zinc/04/62/43/495046243.db2.gz ZVOWTWGBSNCOPA-UHFFFAOYSA-N -1 3 360.195 3.378 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-][C@H](C)c2noc(-c3ccccc3)n2)c(F)c1 ZINC000128206092 495061408 /nfs/dbraw/zinc/06/14/08/495061408.db2.gz NOEJTIHEUFIHSD-GFCCVEGCSA-N -1 3 361.398 3.224 20 0 FGADHM COc1cc(N2CCOC(C)(C)C2)ccc1NCc1nc(C)ccc1[O-] ZINC000122982505 495063115 /nfs/dbraw/zinc/06/31/15/495063115.db2.gz JOJVKJMFQHATBD-UHFFFAOYSA-N -1 3 357.454 3.332 20 0 FGADHM O=S(=O)([N-][C@H](c1cccnc1)c1ccc(F)c(F)c1)c1cccs1 ZINC000111343048 495066171 /nfs/dbraw/zinc/06/61/71/495066171.db2.gz LPQKBIDSVBEOGB-INIZCTEOSA-N -1 3 366.414 3.489 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1)c1noc(-c2ccccc2)n1 ZINC000128322616 495079356 /nfs/dbraw/zinc/07/93/56/495079356.db2.gz CXRIKNRZCGCQSM-NSHDSACASA-N -1 3 363.826 3.430 20 0 FGADHM COc1cccc(C(=O)Nc2cccc(CN3CCSCC3)c2)c1[O-] ZINC000128349199 495083729 /nfs/dbraw/zinc/08/37/29/495083729.db2.gz GRTSXZSNZXMMAF-UHFFFAOYSA-N -1 3 358.463 3.202 20 0 FGADHM Cc1nc(-c2cccc(NC(=O)c3cnc4c(cnn4C)c3[O-])c2)cs1 ZINC000119115342 495096317 /nfs/dbraw/zinc/09/63/17/495096317.db2.gz KQNJLAXDBSEFOM-UHFFFAOYSA-N -1 3 365.418 3.358 20 0 FGADHM COCc1ccc([C@@H]2CCCN2C(=O)c2c[n-]c3ccccc3c2=O)o1 ZINC000119118999 495097290 /nfs/dbraw/zinc/09/72/90/495097290.db2.gz YRJKGMDZWHPNAW-KRWDZBQOSA-N -1 3 352.390 3.245 20 0 FGADHM COc1nn(C)c2nc(C)c(CCC(=O)Nc3cccc([O-])c3F)c(C)c12 ZINC000128555990 495115442 /nfs/dbraw/zinc/11/54/42/495115442.db2.gz LVUFANCJRFXHKM-UHFFFAOYSA-N -1 3 372.400 3.010 20 0 FGADHM CC[C@@H](C)[C@@](C)(O)C[N-]S(=O)(=O)c1cc(Cl)c(OC)cc1Cl ZINC000119243762 495125333 /nfs/dbraw/zinc/12/53/33/495125333.db2.gz UBRQACOIGWYONH-OTYXRUKQSA-N -1 3 370.298 3.077 20 0 FGADHM CC[C@H](C)[C@](C)(O)C[N-]S(=O)(=O)c1cc(Cl)c(OC)cc1Cl ZINC000119243621 495125365 /nfs/dbraw/zinc/12/53/65/495125365.db2.gz UBRQACOIGWYONH-LKFCYVNXSA-N -1 3 370.298 3.077 20 0 FGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)[C@H](C)Oc1cccc(Cl)c1 ZINC000134282077 495130103 /nfs/dbraw/zinc/13/01/03/495130103.db2.gz QOYBGNJNCZXJLV-JTQLQIEISA-N -1 3 366.801 3.473 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc([C@H](C)N3CCOCC3)cc2)cc1 ZINC000111994771 495135225 /nfs/dbraw/zinc/13/52/25/495135225.db2.gz YRNSIYUSTXDEII-INIZCTEOSA-N -1 3 360.479 3.189 20 0 FGADHM Cc1nc(C)c(CCC(=O)Nc2ncc(-c3ccccc3)s2)c(=O)[n-]1 ZINC000119294266 495136262 /nfs/dbraw/zinc/13/62/62/495136262.db2.gz DGEOHDYBYPYRHN-UHFFFAOYSA-N -1 3 354.435 3.082 20 0 FGADHM O=S(=O)([N-][C@H](c1ccccc1)c1ccncc1)c1ccc(F)cc1F ZINC000128704490 495138311 /nfs/dbraw/zinc/13/83/11/495138311.db2.gz OTXRCNKCXHKUQJ-GOSISDBHSA-N -1 3 360.385 3.428 20 0 FGADHM COc1cccc(C(=O)Nc2cccc(CN3CCCCC3=O)c2)c1[O-] ZINC000123487446 495139757 /nfs/dbraw/zinc/13/97/57/495139757.db2.gz LYEWRYWAKUBWKZ-UHFFFAOYSA-N -1 3 354.406 3.166 20 0 FGADHM Cc1ccc([O-])c(CNc2ccc(C)c(NC(=O)CN3CCCCC3)c2)n1 ZINC000123543371 495149199 /nfs/dbraw/zinc/14/91/99/495149199.db2.gz KEAYZJKJYCSLJM-UHFFFAOYSA-N -1 3 368.481 3.441 20 0 FGADHM CCOCCCn1c2ccccc2nc1NC(=O)c1cccc(OC)c1[O-] ZINC000102732466 495157814 /nfs/dbraw/zinc/15/78/14/495157814.db2.gz AAICNWDZZDKNEM-UHFFFAOYSA-N -1 3 369.421 3.429 20 0 FGADHM O=S(=O)([N-]Cc1ccncc1)c1cc(C(F)(F)F)ccc1Cl ZINC000119423237 495164192 /nfs/dbraw/zinc/16/41/92/495164192.db2.gz FODVDFCSTOWQMG-UHFFFAOYSA-N -1 3 350.749 3.232 20 0 FGADHM COc1ccc(CCC(=O)Nc2cc(-c3nccn3C)[n-]n2)cc1Cl ZINC000119494035 495177452 /nfs/dbraw/zinc/17/74/52/495177452.db2.gz PODCZXYHGRWTJS-UHFFFAOYSA-N -1 3 359.817 3.044 20 0 FGADHM COc1ccc(CCC(=O)Nc2cc(-c3nccn3C)n[n-]2)cc1Cl ZINC000119494035 495177454 /nfs/dbraw/zinc/17/74/54/495177454.db2.gz PODCZXYHGRWTJS-UHFFFAOYSA-N -1 3 359.817 3.044 20 0 FGADHM CCOc1ccccc1C(F)(F)C(=O)[N-][C@@H](C)c1nnc2ccccn21 ZINC000119500436 495177824 /nfs/dbraw/zinc/17/78/24/495177824.db2.gz AYTKXUXAVLZSCP-LBPRGKRZSA-N -1 3 360.364 3.097 20 0 FGADHM CCOc1ccccc1C(F)(F)C(=O)[N-][C@H](C)c1nnc2ccccn21 ZINC000119500563 495177952 /nfs/dbraw/zinc/17/79/52/495177952.db2.gz AYTKXUXAVLZSCP-GFCCVEGCSA-N -1 3 360.364 3.097 20 0 FGADHM O=C(CCCOc1ccccc1Cl)Nc1cccc(-c2nnn[n-]2)c1 ZINC000123738079 495178630 /nfs/dbraw/zinc/17/86/30/495178630.db2.gz YDOGTICPTCNTKG-UHFFFAOYSA-N -1 3 357.801 3.318 20 0 FGADHM O=C(CCCOc1ccccc1Cl)Nc1cccc(-c2nn[n-]n2)c1 ZINC000123738079 495178636 /nfs/dbraw/zinc/17/86/36/495178636.db2.gz YDOGTICPTCNTKG-UHFFFAOYSA-N -1 3 357.801 3.318 20 0 FGADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@H](C)C(C)(C)C)cc1Cl ZINC000112363358 495180832 /nfs/dbraw/zinc/18/08/32/495180832.db2.gz WYVYWGLHXUOTBX-MRVPVSSYSA-N -1 3 350.843 3.150 20 0 FGADHM CCn1nccc1CN1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000119533005 495185534 /nfs/dbraw/zinc/18/55/34/495185534.db2.gz NAKINSHFWMJKPO-UHFFFAOYSA-N -1 3 362.861 3.113 20 0 FGADHM Cc1cc(O[C@H](C)C(=O)Nc2cc(-c3nccn3C)[n-]n2)ccc1Cl ZINC000119554102 495189871 /nfs/dbraw/zinc/18/98/71/495189871.db2.gz RYHFEDVQXXXTKV-LLVKDONJSA-N -1 3 359.817 3.178 20 0 FGADHM Cc1cc(O[C@H](C)C(=O)Nc2cc(-c3nccn3C)n[n-]2)ccc1Cl ZINC000119554102 495189876 /nfs/dbraw/zinc/18/98/76/495189876.db2.gz RYHFEDVQXXXTKV-LLVKDONJSA-N -1 3 359.817 3.178 20 0 FGADHM O=C(CCCOc1ccc2c(c1)CCC(=O)N2)Nc1cccc([O-])c1F ZINC000129071757 495191912 /nfs/dbraw/zinc/19/19/12/495191912.db2.gz HEJPAAWJWFRZPU-UHFFFAOYSA-N -1 3 358.369 3.214 20 0 FGADHM O=C(Nc1cc(Br)ccc1[O-])c1cccc(OCC(F)F)n1 ZINC000129120704 495198841 /nfs/dbraw/zinc/19/88/41/495198841.db2.gz CAXAGCOASJQIJF-UHFFFAOYSA-N -1 3 373.153 3.446 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]Cc2cccc(F)c2)sc1Br ZINC000123915261 495207106 /nfs/dbraw/zinc/20/71/06/495207106.db2.gz XJBYWKFMCYUYEQ-UHFFFAOYSA-N -1 3 364.261 3.437 20 0 FGADHM CC(C)(Oc1cccc(Cl)c1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000112579209 495208586 /nfs/dbraw/zinc/20/85/86/495208586.db2.gz RBSPBPCVHKUARL-UHFFFAOYSA-N -1 3 357.801 3.316 20 0 FGADHM CC(C)(Oc1cccc(Cl)c1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000112579209 495208591 /nfs/dbraw/zinc/20/85/91/495208591.db2.gz RBSPBPCVHKUARL-UHFFFAOYSA-N -1 3 357.801 3.316 20 0 FGADHM Cc1ccc(CS(=O)(=O)[N-]CC(=O)Nc2ccc(Cl)cc2)cc1C ZINC000580475681 505767876 /nfs/dbraw/zinc/76/78/76/505767876.db2.gz ISODLCLBNSPNQW-UHFFFAOYSA-N -1 3 366.870 3.015 20 0 FGADHM CCc1cc(=O)[n-]c(CN(Cc2cccc(OC)c2)C2CCC(O)CC2)n1 ZINC000119752976 495233339 /nfs/dbraw/zinc/23/33/39/495233339.db2.gz SQMZKTIWACSFJL-UHFFFAOYSA-N -1 3 371.481 3.059 20 0 FGADHM CCC1(CC)[C@H](OC)C[C@@H]1NC(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000119755554 495234039 /nfs/dbraw/zinc/23/40/39/495234039.db2.gz UYEZSGCQROGFJD-JKSUJKDBSA-N -1 3 360.429 3.299 20 0 FGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)[C@H]1C[C@H]1c1ccc(F)cc1F ZINC000112863148 495249167 /nfs/dbraw/zinc/24/91/67/495249167.db2.gz NYCQVZDIEXOPIK-STQMWFEESA-N -1 3 366.389 3.079 20 0 FGADHM CCOC(=O)c1ccc(NC(=O)Cc2c[nH]c3ccc(F)cc23)c([O-])c1 ZINC000129588989 495266243 /nfs/dbraw/zinc/26/62/43/495266243.db2.gz CTQXSFJXWOKEQI-UHFFFAOYSA-N -1 3 356.353 3.371 20 0 FGADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N(C)CCC3CC3)nc(=O)c2c1C ZINC000135271968 495270696 /nfs/dbraw/zinc/27/06/96/495270696.db2.gz KGGLXBPVWVSYNT-LLVKDONJSA-N -1 3 363.483 3.263 20 0 FGADHM O=C([O-])[C@@H](c1cccc(Br)c1)N1CCC(OCC2CC2)CC1 ZINC000568758730 505771680 /nfs/dbraw/zinc/77/16/80/505771680.db2.gz QBHXLFVISNOBLC-MRXNPFEDSA-N -1 3 368.271 3.466 20 0 FGADHM NC(=O)NCc1ccc(NC(=O)c2c[n-]nc2-c2ccc(Cl)cc2)cc1 ZINC000104331318 495277811 /nfs/dbraw/zinc/27/78/11/495277811.db2.gz GQMGABWUQROVMV-UHFFFAOYSA-N -1 3 369.812 3.151 20 0 FGADHM CC(C)c1ccc(OCCC(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000104367402 495280765 /nfs/dbraw/zinc/28/07/65/495280765.db2.gz OAOBLWUVDQLEOS-UHFFFAOYSA-N -1 3 351.410 3.398 20 0 FGADHM CC(C)c1ccc(OCCC(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000104367402 495280766 /nfs/dbraw/zinc/28/07/66/495280766.db2.gz OAOBLWUVDQLEOS-UHFFFAOYSA-N -1 3 351.410 3.398 20 0 FGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H](C)[C@@H](C)c1ccccc1 ZINC000124423997 495285098 /nfs/dbraw/zinc/28/50/98/495285098.db2.gz CXKAEVDOSHTYEP-OLZOCXBDSA-N -1 3 365.426 3.083 20 0 FGADHM Cc1c(C(=O)Nc2cccc([O-])c2F)nnn1-c1cccc2cccnc21 ZINC000129743907 495289478 /nfs/dbraw/zinc/28/94/78/495289478.db2.gz LKDXPZZXVRRBTL-UHFFFAOYSA-N -1 3 363.352 3.221 20 0 FGADHM COc1cccc(C(=O)N2CCN(c3ccc(F)cc3Cl)CC2)c1[O-] ZINC000129766876 495292973 /nfs/dbraw/zinc/29/29/73/495292973.db2.gz HIWFZGUWBUAHJJ-UHFFFAOYSA-N -1 3 364.804 3.156 20 0 FGADHM CCC(CC)CS(=O)(=O)[N-][C@@H](c1nc(-c2cccnc2)no1)C(C)C ZINC000113286605 495293275 /nfs/dbraw/zinc/29/32/75/495293275.db2.gz HNZBBIAUHMUORD-OAHLLOKOSA-N -1 3 366.487 3.184 20 0 FGADHM Cc1nc2sc3c(c2c(N2CCc4c(nc[n-]c4=O)C2)n1)CC[C@@H](C)C3 ZINC000577676529 505773080 /nfs/dbraw/zinc/77/30/80/505773080.db2.gz ILRLHZULBUXERQ-SNVBAGLBSA-N -1 3 367.478 3.183 20 0 FGADHM CC(C)CCS(=O)(=O)[N-][C@@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000104735782 495302100 /nfs/dbraw/zinc/30/21/00/495302100.db2.gz PHDRZCAUFFHPLZ-GOSISDBHSA-N -1 3 360.479 3.332 20 0 FGADHM COc1ccc2oc(C(=O)[N-]c3sccc3S(C)(=O)=O)c(C)c2c1 ZINC000135511217 495304022 /nfs/dbraw/zinc/30/40/22/495304022.db2.gz OQJKDYVNGAKBQP-UHFFFAOYSA-N -1 3 365.432 3.467 20 0 FGADHM C[C@H](NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)c1ccc(C(F)(F)F)cc1 ZINC000104843987 495309479 /nfs/dbraw/zinc/30/94/79/495309479.db2.gz JKFQSEJPFPTTDL-VIFPVBQESA-N -1 3 362.307 3.080 20 0 FGADHM O=C(Nc1cc(Cl)ccc1[O-])[C@H](c1ccccc1)N1CCC(O)CC1 ZINC000104861866 495311457 /nfs/dbraw/zinc/31/14/57/495311457.db2.gz HIVFUQHVVZVJFC-SFHVURJKSA-N -1 3 360.841 3.182 20 0 FGADHM C[C@@H](SCc1ccccc1)C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000135564241 495311781 /nfs/dbraw/zinc/31/17/81/495311781.db2.gz QJFSVNAEEHTMQS-CYBMUJFWSA-N -1 3 353.451 3.051 20 0 FGADHM C[C@@H](SCc1ccccc1)C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000135564241 495311783 /nfs/dbraw/zinc/31/17/83/495311783.db2.gz QJFSVNAEEHTMQS-CYBMUJFWSA-N -1 3 353.451 3.051 20 0 FGADHM Cc1cc(C(=O)CCC(=O)Nc2ccc(Cc3nnn[n-]3)cc2)c(C)s1 ZINC000135573381 495313055 /nfs/dbraw/zinc/31/30/55/495313055.db2.gz WQINPTMMKRRNLA-UHFFFAOYSA-N -1 3 369.450 3.070 20 0 FGADHM Cc1cc(C(=O)CCC(=O)Nc2ccc(Cc3nn[n-]n3)cc2)c(C)s1 ZINC000135573381 495313058 /nfs/dbraw/zinc/31/30/58/495313058.db2.gz WQINPTMMKRRNLA-UHFFFAOYSA-N -1 3 369.450 3.070 20 0 FGADHM Cc1nc(S(=O)(=O)[C@@H](C)c2nc(C3CC3)no2)[n-]c1Cc1ccccc1 ZINC000113636631 495323811 /nfs/dbraw/zinc/32/38/11/495323811.db2.gz NURIPURDXAFJAI-LBPRGKRZSA-N -1 3 372.450 3.104 20 0 FGADHM Cc1[n-]c(S(=O)(=O)[C@@H](C)c2nc(C3CC3)no2)nc1Cc1ccccc1 ZINC000113636631 495323812 /nfs/dbraw/zinc/32/38/12/495323812.db2.gz NURIPURDXAFJAI-LBPRGKRZSA-N -1 3 372.450 3.104 20 0 FGADHM O=c1[n-]c(CN2CC[C@H](Oc3cccc(Cl)c3)C2)nc2ccsc21 ZINC000120321387 495352322 /nfs/dbraw/zinc/35/23/22/495352322.db2.gz HPOGBMHGGVAODT-ZDUSSCGKSA-N -1 3 361.854 3.291 20 0 FGADHM CCC[C@@H](CCc1ccccc1)NC(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000130196280 495355109 /nfs/dbraw/zinc/35/51/09/495355109.db2.gz QDQHSPMUQJVUQW-SFHVURJKSA-N -1 3 355.482 3.237 20 0 FGADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)N1CCC[C@@]2(CC=CCC2)C1 ZINC000114440700 495374035 /nfs/dbraw/zinc/37/40/35/495374035.db2.gz XQTNZDYYZWUNCQ-NRFANRHFSA-N -1 3 366.465 3.102 20 0 FGADHM CN(Cc1ccc(C(=O)[O-])c(Cl)c1)C[C@H](O)COCc1ccccc1 ZINC000574458321 505777726 /nfs/dbraw/zinc/77/77/26/505777726.db2.gz DJGBCQFCQVJYSP-INIZCTEOSA-N -1 3 363.841 3.048 20 0 FGADHM Cc1ccc(C(=O)N[C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)c([O-])c1 ZINC000130335266 495375464 /nfs/dbraw/zinc/37/54/64/495375464.db2.gz DOJRMSSAERJLSW-ZDUSSCGKSA-N -1 3 353.422 3.476 20 0 FGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@H](C)C[C@@H]2CCCO2)cc1Cl ZINC000105620254 495377230 /nfs/dbraw/zinc/37/72/30/495377230.db2.gz KKHDOCHFBBXKRR-ZJUUUORDSA-N -1 3 368.282 3.238 20 0 FGADHM C[C@@H](c1ccccc1F)N1CCC[C@H](NC(=O)c2cc([O-])ccc2F)C1=O ZINC000571631752 505778483 /nfs/dbraw/zinc/77/84/83/505778483.db2.gz DQAITUHTOJBUHC-SGTLLEGYSA-N -1 3 374.387 3.152 20 0 FGADHM Cc1cc([N-]C(=O)[C@@H](C)S(=O)(=O)c2cc(C(C)(C)C)ccc2C)on1 ZINC000105722867 495389163 /nfs/dbraw/zinc/38/91/63/495389163.db2.gz OMZNVYLYYNLFHJ-CYBMUJFWSA-N -1 3 364.467 3.390 20 0 FGADHM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(-n4cccn4)c(F)c3)ccc2O1 ZINC000106007274 495401524 /nfs/dbraw/zinc/40/15/24/495401524.db2.gz QDXUYGTXZIBERX-LBPRGKRZSA-N -1 3 373.409 3.136 20 0 FGADHM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)ccc1C ZINC000106007154 495401908 /nfs/dbraw/zinc/40/19/08/495401908.db2.gz BKSDSXQIRZWGOA-GFCCVEGCSA-N -1 3 360.435 3.078 20 0 FGADHM COc1ccc(Cl)c([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)c1 ZINC000106007449 495402268 /nfs/dbraw/zinc/40/22/68/495402268.db2.gz VCKPEELQWGDJGZ-SNVBAGLBSA-N -1 3 353.827 3.473 20 0 FGADHM O=C(CCSc1ccc(F)cc1)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000136981625 495415064 /nfs/dbraw/zinc/41/50/64/495415064.db2.gz ZKGASNMNPNNJLM-UHFFFAOYSA-N -1 3 357.414 3.051 20 0 FGADHM O=C(CCSc1ccc(F)cc1)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000136981625 495415066 /nfs/dbraw/zinc/41/50/66/495415066.db2.gz ZKGASNMNPNNJLM-UHFFFAOYSA-N -1 3 357.414 3.051 20 0 FGADHM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-][C@H](c1ccccc1)C(C)C ZINC000130587171 495415068 /nfs/dbraw/zinc/41/50/68/495415068.db2.gz JPLCOHDREMVOIZ-KRWDZBQOSA-N -1 3 365.426 3.288 20 0 FGADHM Cc1ccc2ncc(C(=O)[O-])c(N3CCN(CC(F)(F)F)[C@H](C)C3)c2c1 ZINC000571645323 505781294 /nfs/dbraw/zinc/78/12/94/505781294.db2.gz PLNOVKSVSZBABF-GFCCVEGCSA-N -1 3 367.371 3.314 20 0 FGADHM Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)c1c[n-]c2ccccc2c1=O ZINC000137310355 495436338 /nfs/dbraw/zinc/43/63/38/495436338.db2.gz LTKHTCYUGAKZSE-GFCCVEGCSA-N -1 3 352.438 3.279 20 0 FGADHM Cc1ccc(C(=O)CCC(=O)Nc2ccc(Cc3nnn[n-]3)cc2)cc1C ZINC000120701528 495438811 /nfs/dbraw/zinc/43/88/11/495438811.db2.gz AQXNYIQTQIIKKN-UHFFFAOYSA-N -1 3 363.421 3.009 20 0 FGADHM Cc1ccc(C(=O)CCC(=O)Nc2ccc(Cc3nn[n-]n3)cc2)cc1C ZINC000120701528 495438815 /nfs/dbraw/zinc/43/88/15/495438815.db2.gz AQXNYIQTQIIKKN-UHFFFAOYSA-N -1 3 363.421 3.009 20 0 FGADHM Cc1c(Br)cccc1S(=O)(=O)[N-][C@@H](C1CC1)C(F)(F)F ZINC000574480488 505782989 /nfs/dbraw/zinc/78/29/89/505782989.db2.gz ZARHVFDZTYKJEW-NSHDSACASA-N -1 3 372.206 3.377 20 0 FGADHM COC(=O)c1ccc(F)c([N-]C(=O)c2nc(C(C)C)ncc2Cl)c1 ZINC000120758960 495451742 /nfs/dbraw/zinc/45/17/42/495451742.db2.gz STDYDPRZBOYOGX-UHFFFAOYSA-N -1 3 351.765 3.431 20 0 FGADHM Cc1nc(C)c(CC(=O)Nc2ccc(COC3CCCC3)cc2)c(=O)[n-]1 ZINC000130925808 495467603 /nfs/dbraw/zinc/46/76/03/495467603.db2.gz TWLURDVGWXAUKU-UHFFFAOYSA-N -1 3 355.438 3.027 20 0 FGADHM Cc1ccccc1OC[C@@H](O)CN1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000125635788 495474858 /nfs/dbraw/zinc/47/48/58/495474858.db2.gz AXDMSEYACSPQRI-FQEVSTJZSA-N -1 3 369.461 3.035 20 0 FGADHM CCc1cnc(S(=O)(=O)Cc2coc(-c3cccc(Cl)c3)n2)[n-]1 ZINC000125662416 495478982 /nfs/dbraw/zinc/47/89/82/495478982.db2.gz PRQGQSOCYQWFNT-UHFFFAOYSA-N -1 3 351.815 3.254 20 0 FGADHM CCc1c[n-]c(S(=O)(=O)Cc2coc(-c3cccc(Cl)c3)n2)n1 ZINC000125662416 495478986 /nfs/dbraw/zinc/47/89/86/495478986.db2.gz PRQGQSOCYQWFNT-UHFFFAOYSA-N -1 3 351.815 3.254 20 0 FGADHM CCc1cc(=O)[n-]c(CSCc2nnc(Cc3ccccc3C)o2)n1 ZINC000125742820 495491393 /nfs/dbraw/zinc/49/13/93/495491393.db2.gz LINIKOBUKAGTGY-UHFFFAOYSA-N -1 3 356.451 3.460 20 0 FGADHM O=S(=O)([N-]Cc1nnc(-c2ccccc2)s1)c1ccc(Cl)s1 ZINC000131092735 495491404 /nfs/dbraw/zinc/49/14/04/495491404.db2.gz JCCUXTMVTDDEKX-UHFFFAOYSA-N -1 3 371.896 3.399 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]Cc2nnc(-c3ccccc3)s2)c(F)c1 ZINC000131105854 495493186 /nfs/dbraw/zinc/49/31/86/495493186.db2.gz CNWPHGWGZHJEPS-UHFFFAOYSA-N -1 3 363.439 3.131 20 0 FGADHM Cc1ccc(F)c(S(=O)(=O)[N-]Cc2nnc(-c3ccccc3)s2)c1 ZINC000131133805 495496311 /nfs/dbraw/zinc/49/63/11/495496311.db2.gz FGEGDTFYWPZJFQ-UHFFFAOYSA-N -1 3 363.439 3.131 20 0 FGADHM Cc1cccc2c(CC(=O)Nc3ccccc3[N-]S(C)(=O)=O)c[nH]c21 ZINC000131159133 495500598 /nfs/dbraw/zinc/50/05/98/495500598.db2.gz PWMUPQOSCKEVMH-UHFFFAOYSA-N -1 3 357.435 3.029 20 0 FGADHM CCC[C@H](C)CC(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000125821846 495504288 /nfs/dbraw/zinc/50/42/88/495504288.db2.gz HWANSMROJIMBBL-NSHDSACASA-N -1 3 366.405 3.292 20 0 FGADHM CCc1cnc(S(=O)(=O)[C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)[n-]1 ZINC000125827686 495504875 /nfs/dbraw/zinc/50/48/75/495504875.db2.gz INLIZMPTCLFLEI-VIFPVBQESA-N -1 3 366.830 3.210 20 0 FGADHM CCc1c[n-]c(S(=O)(=O)[C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)n1 ZINC000125827686 495504877 /nfs/dbraw/zinc/50/48/77/495504877.db2.gz INLIZMPTCLFLEI-VIFPVBQESA-N -1 3 366.830 3.210 20 0 FGADHM CCN(Cc1ccccc1NC(=O)c1cc(C)cc(OC)c1[O-])C(C)=O ZINC000106906623 495509167 /nfs/dbraw/zinc/50/91/67/495509167.db2.gz AAHCPXDGYKDUAA-UHFFFAOYSA-N -1 3 356.422 3.330 20 0 FGADHM CCN(c1ccc(C(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1)C(C)C ZINC000125926686 495519991 /nfs/dbraw/zinc/51/99/91/495519991.db2.gz GPDDBDJJLMORLS-UHFFFAOYSA-N -1 3 350.426 3.354 20 0 FGADHM CCN(c1ccc(C(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1)C(C)C ZINC000125926686 495519993 /nfs/dbraw/zinc/51/99/93/495519993.db2.gz GPDDBDJJLMORLS-UHFFFAOYSA-N -1 3 350.426 3.354 20 0 FGADHM O=C(Nc1nc(Cc2ccccc2)ns1)c1cc(-c2ccco2)n[n-]1 ZINC000107356542 495525925 /nfs/dbraw/zinc/52/59/25/495525925.db2.gz GTKBAQLFKUBSBT-UHFFFAOYSA-N -1 3 351.391 3.364 20 0 FGADHM Cc1csc([C@H]([N-]S(=O)(=O)c2cccc3cccnc32)C2CC2)n1 ZINC000173467840 495543041 /nfs/dbraw/zinc/54/30/41/495543041.db2.gz VNJVLLSLAVKGBE-MRXNPFEDSA-N -1 3 359.476 3.429 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]Cc2nccn2CC(C)C)c(Cl)cc1F ZINC000182411158 495553923 /nfs/dbraw/zinc/55/39/23/495553923.db2.gz QYNYYDOGPVYFMH-UHFFFAOYSA-N -1 3 359.854 3.119 20 0 FGADHM O=C(N=c1[n-]nc(C2CC2)s1)NCCN1CCC2(CCCCC2)CC1 ZINC000574511207 505789236 /nfs/dbraw/zinc/78/92/36/505789236.db2.gz ZLAAQKUHODVOGF-UHFFFAOYSA-N -1 3 363.531 3.005 20 0 FGADHM Cc1cccc(C(=O)N2CCCN(C(=O)CCc3ccccc3)CC2)c1[O-] ZINC000176266531 495570605 /nfs/dbraw/zinc/57/06/05/495570605.db2.gz FFVIEDWFDNNFRO-UHFFFAOYSA-N -1 3 366.461 3.008 20 0 FGADHM Cc1oc(-c2cnn(C)c2)nc1C(=O)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000176281138 495577685 /nfs/dbraw/zinc/57/76/85/495577685.db2.gz KPGFURYCOXFLMM-UHFFFAOYSA-N -1 3 366.299 3.360 20 0 FGADHM O=S(=O)([N-][C@@H]1[C@@H]2Cc3ccccc3[C@@H]21)c1ccccc1C(F)(F)F ZINC000154326927 495582236 /nfs/dbraw/zinc/58/22/36/495582236.db2.gz SNDMNPFVDGUOBL-UHOFOFEASA-N -1 3 353.365 3.322 20 0 FGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H](C)c1cc(C)oc1C ZINC000158762010 495583622 /nfs/dbraw/zinc/58/36/22/495583622.db2.gz QGDJCXLZTQSRCF-JTQLQIEISA-N -1 3 371.842 3.376 20 0 FGADHM CC(C)c1cccc(-n2cc([O-])c(C(=O)N3CCCC[C@@H]3CN(C)C)n2)c1 ZINC000176310671 495592973 /nfs/dbraw/zinc/59/29/73/495592973.db2.gz XDOKWVKNEKEOIN-GOSISDBHSA-N -1 3 370.497 3.258 20 0 FGADHM O=C(CNC(=O)c1ccc(C(F)(F)F)cc1)Nc1cc(Cl)ccc1[O-] ZINC000179460908 495599511 /nfs/dbraw/zinc/59/95/11/495599511.db2.gz LZJYPCOCNVUYQL-UHFFFAOYSA-N -1 3 372.730 3.433 20 0 FGADHM COc1cc(Br)cc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000185555068 495619905 /nfs/dbraw/zinc/61/99/05/495619905.db2.gz MOMSSQLOPKUQMQ-UHFFFAOYSA-N -1 3 360.204 3.398 20 0 FGADHM CC(C)Oc1cc(C[N-]S(=O)(=O)c2cc(F)ccc2Cl)ccn1 ZINC000158944783 495622097 /nfs/dbraw/zinc/62/20/97/495622097.db2.gz FVHAPSNDYILVLW-UHFFFAOYSA-N -1 3 358.822 3.140 20 0 FGADHM Cc1ccc(C(=O)N2CCCC[C@H]2CNC(=O)c2ccccc2)c([O-])c1 ZINC000173633611 495624806 /nfs/dbraw/zinc/62/48/06/495624806.db2.gz DOXBFZZJHOZYLI-KRWDZBQOSA-N -1 3 352.434 3.125 20 0 FGADHM COc1cccc(C(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)c1F ZINC000179525143 495627561 /nfs/dbraw/zinc/62/75/61/495627561.db2.gz JBQCSHQYZTXDIG-UHFFFAOYSA-N -1 3 372.396 3.031 20 0 FGADHM CCn1nnnc1-c1cccc(NC(=O)c2c[n-]nc2-c2ccccc2)c1 ZINC000173647109 495631959 /nfs/dbraw/zinc/63/19/59/495631959.db2.gz AONCYWSQJUMDNS-UHFFFAOYSA-N -1 3 359.393 3.002 20 0 FGADHM COc1ccc(C(=O)Nc2cc(Br)ccc2[O-])cc1OC ZINC000176439352 495650671 /nfs/dbraw/zinc/65/06/71/495650671.db2.gz MPFOTFHYGXXODQ-UHFFFAOYSA-N -1 3 352.184 3.424 20 0 FGADHM CCCC(=O)Nc1cccc([N-]S(=O)(=O)C[C@@H]2CCCCO2)c1C ZINC000150850033 495654868 /nfs/dbraw/zinc/65/48/68/495654868.db2.gz SURIHWNFWJJNJR-AWEZNQCLSA-N -1 3 354.472 3.044 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CC[C@H](C)[C@H](C)C2)c1 ZINC000185648601 495662029 /nfs/dbraw/zinc/66/20/29/495662029.db2.gz JMNXXEBEIRXKIL-OUCADQQQSA-N -1 3 371.437 3.495 20 0 FGADHM Cc1c(Br)cccc1C(=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000173750865 495676376 /nfs/dbraw/zinc/67/63/76/495676376.db2.gz KNLSVEYXJOULEE-UHFFFAOYSA-N -1 3 358.199 3.190 20 0 FGADHM Cc1c(Br)cccc1C(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000173750865 495676379 /nfs/dbraw/zinc/67/63/79/495676379.db2.gz KNLSVEYXJOULEE-UHFFFAOYSA-N -1 3 358.199 3.190 20 0 FGADHM Cc1c(Br)cccc1C(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000173750865 495676385 /nfs/dbraw/zinc/67/63/85/495676385.db2.gz KNLSVEYXJOULEE-UHFFFAOYSA-N -1 3 358.199 3.190 20 0 FGADHM O=C(Nc1cc(F)ccc1[O-])[C@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000179647612 495676485 /nfs/dbraw/zinc/67/64/85/495676485.db2.gz PQWJQRXDTHKRTO-ZDUSSCGKSA-N -1 3 357.385 3.414 20 0 FGADHM COc1ccc(N[C@@H](C)c2ccccc2OC)cc1[N-]S(C)(=O)=O ZINC000182728270 495678863 /nfs/dbraw/zinc/67/88/63/495678863.db2.gz KMUBAHFRQRRWBI-LBPRGKRZSA-N -1 3 350.440 3.248 20 0 FGADHM COc1ccc([C@@H](C)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)cc1F ZINC000182727515 495679076 /nfs/dbraw/zinc/67/90/76/495679076.db2.gz XNSWDUSOLKQPKZ-LLVKDONJSA-N -1 3 368.430 3.388 20 0 FGADHM COc1ccc(N[C@@H](C)c2ccccc2N(C)C)cc1[N-]S(C)(=O)=O ZINC000182727764 495679527 /nfs/dbraw/zinc/67/95/27/495679527.db2.gz GRPOAOCAMHGKDX-ZDUSSCGKSA-N -1 3 363.483 3.306 20 0 FGADHM CC(C)OC1CCN([C@H](C(=O)[O-])c2cccc(Br)c2)CC1 ZINC000568871279 505797622 /nfs/dbraw/zinc/79/76/22/505797622.db2.gz DVNVHWLOIQGPAD-HNNXBMFYSA-N -1 3 356.260 3.464 20 0 FGADHM CC1C[C@H](C(=O)Nc2ccccc2[O-])[C@@H](C(=O)Nc2ccccc2O)C1 ZINC000185732141 495701328 /nfs/dbraw/zinc/70/13/28/495701328.db2.gz GYECIHDZCFRYBL-KBPBESRZSA-N -1 3 354.406 3.337 20 0 FGADHM Cc1cccc(C)c1CC(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000179738488 495711706 /nfs/dbraw/zinc/71/17/06/495711706.db2.gz ABCWYWRZIRYCMD-UHFFFAOYSA-N -1 3 366.461 3.429 20 0 FGADHM O=C(CC(F)(F)F)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000159349527 495715283 /nfs/dbraw/zinc/71/52/83/495715283.db2.gz VFIOWHBAHNPTRJ-UHFFFAOYSA-N -1 3 358.341 3.378 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)NCCc3c[nH]c4ccccc34)c[n-]c12 ZINC000154777582 495724880 /nfs/dbraw/zinc/72/48/80/495724880.db2.gz RFQUYILHRIFNMI-UHFFFAOYSA-N -1 3 363.392 3.429 20 0 FGADHM O=C1[C@@H](Sc2n[n-]c(-c3ccccn3)n2)CCN1c1cccc(Cl)c1 ZINC000176673129 495742945 /nfs/dbraw/zinc/74/29/45/495742945.db2.gz KDHCQJPUDPSSRZ-AWEZNQCLSA-N -1 3 371.853 3.418 20 0 FGADHM Cc1ccc2c(ncc(C(=O)[O-])c2N2CCOCC3(CCOCC3)C2)c1C ZINC000568887707 505800987 /nfs/dbraw/zinc/80/09/87/505800987.db2.gz DDXRMABMAHTZQZ-UHFFFAOYSA-N -1 3 370.449 3.183 20 0 FGADHM O=S(=O)([N-]C1(c2cccc(F)c2)CCOCC1)c1ccc(F)c(F)c1 ZINC000173957103 495764222 /nfs/dbraw/zinc/76/42/22/495764222.db2.gz DCQVGLLCEHGTLO-UHFFFAOYSA-N -1 3 371.380 3.088 20 0 FGADHM CN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2Cl)c1 ZINC000176726226 495764337 /nfs/dbraw/zinc/76/43/37/495764337.db2.gz KZXOGHBWUWAZFU-UHFFFAOYSA-N -1 3 374.796 3.121 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2C[C@@H](C)CC[C@H]2C)c1 ZINC000182939267 495766855 /nfs/dbraw/zinc/76/68/55/495766855.db2.gz ZDCIAKQMBQBYFV-NWDGAFQWSA-N -1 3 357.410 3.202 20 0 FGADHM Cc1cccn2c(C[N-]c3nnc([C@@H]4COc5ccccc5O4)o3)cnc12 ZINC000185898661 495771058 /nfs/dbraw/zinc/77/10/58/495771058.db2.gz RZKGCGVFJBGLJL-INIZCTEOSA-N -1 3 363.377 3.150 20 0 FGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@@H]1CCCCC1(C)C ZINC000176789679 495784865 /nfs/dbraw/zinc/78/48/65/495784865.db2.gz TVWLSJCAPRUPBU-QGZVFWFLSA-N -1 3 368.481 3.158 20 0 FGADHM Cc1ccc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)c(CN(C)C)c1 ZINC000174005499 495785014 /nfs/dbraw/zinc/78/50/14/495785014.db2.gz XWBATCQPSFIJAE-UHFFFAOYSA-N -1 3 358.385 3.275 20 0 FGADHM O=C(N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)c1cccc([O-])c1 ZINC000183002343 495793400 /nfs/dbraw/zinc/79/34/00/495793400.db2.gz ZDZUKMZFKCASRX-OAHLLOKOSA-N -1 3 365.216 3.234 20 0 FGADHM O=C(Nc1ncccc1[O-])c1cc(I)ccc1Cl ZINC000159723331 495795311 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3.264 20 0 FGADHM COC(=O)[C@@H]1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C[C@H]1C ZINC000187944236 496627273 /nfs/dbraw/zinc/62/72/73/496627273.db2.gz KWMVKKKBXCXARQ-CRAIPNDOSA-N -1 3 367.445 3.254 20 0 FGADHM O=C([N-]OC[C@@H]1CCOC1)[C@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000188018175 496652561 /nfs/dbraw/zinc/65/25/61/496652561.db2.gz HIOCUEWUUQMTJU-UIFIKXQLSA-N -1 3 367.445 3.453 20 0 FGADHM CC(C)(C)c1ccccc1C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000154011017 496654381 /nfs/dbraw/zinc/65/43/81/496654381.db2.gz YFMJKWYCOZAVLK-UHFFFAOYSA-N -1 3 366.461 3.288 20 0 FGADHM Cc1cc2occ(CC(=O)N3CCc4nc[n-]c(=O)c4C3)c2cc1C(C)C ZINC000179053840 496659192 /nfs/dbraw/zinc/65/91/92/496659192.db2.gz CUOFBAHGSBLDNW-UHFFFAOYSA-N -1 3 365.433 3.075 20 0 FGADHM O=C(Nc1ccccc1[O-])C1CCN(C(=O)NCC2(C3CC3)CCC2)CC1 ZINC000179099976 496675814 /nfs/dbraw/zinc/67/58/14/496675814.db2.gz WVHTUOZQKXOINV-UHFFFAOYSA-N -1 3 371.481 3.333 20 0 FGADHM Cc1nn2c(nc(C)cc2C)c1C(=O)[N-]c1nc(-c2cccs2)ns1 ZINC000182149112 496688930 /nfs/dbraw/zinc/68/89/30/496688930.db2.gz ROIZPUPIPPJOHP-UHFFFAOYSA-N -1 3 370.463 3.487 20 0 FGADHM CN(C)Cc1ccccc1CNC(=O)c1ccc(Br)c([O-])c1 ZINC000179146447 496690878 /nfs/dbraw/zinc/69/08/78/496690878.db2.gz MHDZEOFYJAWVQY-UHFFFAOYSA-N -1 3 363.255 3.146 20 0 FGADHM C[C@H]1CCCCN1CCNC(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000188132224 496696228 /nfs/dbraw/zinc/69/62/28/496696228.db2.gz TUHXBEFKTLZCFZ-INIZCTEOSA-N -1 3 366.461 3.227 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)[C@@H]3C[C@@H]3c3c(F)cccc3F)[n-]c21 ZINC000158422886 496699136 /nfs/dbraw/zinc/69/91/36/496699136.db2.gz QOBHLTGEDUAAPD-WDEREUQCSA-N -1 3 371.343 3.370 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@@H]3C[C@@H]3c3c(F)cccc3F)nc21 ZINC000158422886 496699139 /nfs/dbraw/zinc/69/91/39/496699139.db2.gz QOBHLTGEDUAAPD-WDEREUQCSA-N -1 3 371.343 3.370 20 0 FGADHM O=C(NCC1(c2ccc(C(F)(F)F)cc2)CC1)c1ccc2n[n-]nc2c1 ZINC000188145086 496700418 /nfs/dbraw/zinc/70/04/18/496700418.db2.gz VIQJRECRKKSSOC-UHFFFAOYSA-N -1 3 360.339 3.438 20 0 FGADHM Cc1ccc([N-]S(=O)(=O)Cc2ccccc2F)c(OCCN(C)C)c1 ZINC000158441227 496702996 /nfs/dbraw/zinc/70/29/96/496702996.db2.gz JTPWEQDHEYADPH-UHFFFAOYSA-N -1 3 366.458 3.016 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)[C@H]1COc2ccccc21 ZINC000167590583 496703693 /nfs/dbraw/zinc/70/36/93/496703693.db2.gz YQLXAKOWQWNFER-ZWNOBZJWSA-N -1 3 355.818 3.322 20 0 FGADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)c1ccc(Cl)cc1 ZINC000169856366 496718339 /nfs/dbraw/zinc/71/83/39/496718339.db2.gz OIZBKICIFLYBSW-UHFFFAOYSA-N -1 3 358.825 3.080 20 0 FGADHM O=C(NC[C@H]1CCCN(C(=O)c2cccc([O-])c2)C1)Nc1cccc(F)c1 ZINC000182298379 496727899 /nfs/dbraw/zinc/72/78/99/496727899.db2.gz ZSTUVHTVYXEWSA-CQSZACIVSA-N -1 3 371.412 3.205 20 0 FGADHM Cc1cc(Br)c(F)cc1[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000185320016 496728660 /nfs/dbraw/zinc/72/86/60/496728660.db2.gz KKPCETNIAJOCKZ-SNVBAGLBSA-N -1 3 366.252 3.207 20 0 FGADHM Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2cccc([O-])c2)cc1C ZINC000182309625 496729072 /nfs/dbraw/zinc/72/90/72/496729072.db2.gz QDCFYJHWRDOTGE-QGZVFWFLSA-N -1 3 356.447 3.163 20 0 FGADHM O=C(N[C@H]1CCN(c2ccc(Br)cc2)C1)c1cccc([O-])c1 ZINC000182357620 496731294 /nfs/dbraw/zinc/73/12/94/496731294.db2.gz OJJRYULWBCNHPV-AWEZNQCLSA-N -1 3 361.239 3.163 20 0 FGADHM CCOCCOCc1cccc(NC(=O)c2cccc3nn[n-]c32)c1C ZINC000188254468 496731764 /nfs/dbraw/zinc/73/17/64/496731764.db2.gz GGPSHOZPIKDBFO-UHFFFAOYSA-N -1 3 354.410 3.072 20 0 FGADHM CCOCCOCc1cccc(NC(=O)c2cccc3[n-]nnc32)c1C ZINC000188254468 496731765 /nfs/dbraw/zinc/73/17/65/496731765.db2.gz GGPSHOZPIKDBFO-UHFFFAOYSA-N -1 3 354.410 3.072 20 0 FGADHM CCOCCOCc1cccc(NC(=O)c2cccc3n[n-]nc32)c1C ZINC000188254468 496731766 /nfs/dbraw/zinc/73/17/66/496731766.db2.gz GGPSHOZPIKDBFO-UHFFFAOYSA-N -1 3 354.410 3.072 20 0 FGADHM CC(C)(C)[C@@H](CC(=O)[O-])NCc1cn(-c2ccc(F)cc2Cl)nn1 ZINC000277322575 496735951 /nfs/dbraw/zinc/73/59/51/496735951.db2.gz NZOFPTBJGGQPQK-CQSZACIVSA-N -1 3 354.813 3.039 20 0 FGADHM CC(C)(C)[C@H](CC(=O)[O-])NCc1cn(-c2ccc(F)cc2Cl)nn1 ZINC000277322573 496736085 /nfs/dbraw/zinc/73/60/85/496736085.db2.gz NZOFPTBJGGQPQK-AWEZNQCLSA-N -1 3 354.813 3.039 20 0 FGADHM Cc1ccc([C@H](CNC(=O)c2cc(=O)c3ccccc3[n-]2)N2CCCC2)o1 ZINC000263853695 496745061 /nfs/dbraw/zinc/74/50/61/496745061.db2.gz ZIJXITJEGSQEPK-SFHVURJKSA-N -1 3 365.433 3.409 20 0 FGADHM O=C([O-])[C@H](Cc1ccc2c(c1)OCCCO2)NCc1ccccc1Cl ZINC000277355158 496746870 /nfs/dbraw/zinc/74/68/70/496746870.db2.gz PNQCVNCHOOFMLZ-INIZCTEOSA-N -1 3 361.825 3.287 20 0 FGADHM COc1ccc([C@@H](CC(=O)[O-])NCc2cccc3[nH]ccc32)cc1OC ZINC000277359457 496747963 /nfs/dbraw/zinc/74/79/63/496747963.db2.gz PTMWKDXSUZTUPI-QGZVFWFLSA-N -1 3 354.406 3.491 20 0 FGADHM O=C([N-]OC[C@@H]1CCOC1)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1 ZINC000188330707 496754172 /nfs/dbraw/zinc/75/41/72/496754172.db2.gz OWRKALJIXSGMON-ILXRZTDVSA-N -1 3 358.463 3.430 20 0 FGADHM CCc1ccc(C(=O)N(C)Cc2cc(Br)cn2C)c([O-])c1 ZINC000188338336 496756785 /nfs/dbraw/zinc/75/67/85/496756785.db2.gz MFYRKMJWXCKPLR-UHFFFAOYSA-N -1 3 351.244 3.328 20 0 FGADHM Cc1cc(CN[C@H](CC(=O)OC(C)(C)C)C(=O)[O-])ccc1Br ZINC000277406351 496761987 /nfs/dbraw/zinc/76/19/87/496761987.db2.gz SDYFZNGRWLKSJQ-CYBMUJFWSA-N -1 3 372.259 3.032 20 0 FGADHM CSc1cc2c(cc1CN[C@H](CC(=O)[O-])c1ccccc1)OCCO2 ZINC000277431026 496770975 /nfs/dbraw/zinc/77/09/75/496770975.db2.gz UAOWTLUDTDKBFU-OAHLLOKOSA-N -1 3 359.447 3.485 20 0 FGADHM O=S(=O)([N-][C@H]1CCO[C@H](c2ccc(F)cc2)C1)c1ccc(F)c(F)c1 ZINC000273390381 496792745 /nfs/dbraw/zinc/79/27/45/496792745.db2.gz DBTYYEPPIZIZSB-GUYCJALGSA-N -1 3 371.380 3.303 20 0 FGADHM CC[C@H](NC(=O)CS(=O)(=O)c1cccc([O-])c1)c1ccc(Cl)cc1 ZINC000195059222 496808793 /nfs/dbraw/zinc/80/87/93/496808793.db2.gz QXSHTWBCQWXQCK-INIZCTEOSA-N -1 3 367.854 3.087 20 0 FGADHM CC(C)(C)OC(=O)Cc1ccccc1NC([O-])=NOCc1cccnc1 ZINC000273472227 496814813 /nfs/dbraw/zinc/81/48/13/496814813.db2.gz JZGZRQOQQGLUCJ-UHFFFAOYSA-N -1 3 357.410 3.219 20 0 FGADHM CC(C)(C)OC(=O)Cc1ccccc1NC(=O)[N-]OCc1cccnc1 ZINC000273472227 496814817 /nfs/dbraw/zinc/81/48/17/496814817.db2.gz JZGZRQOQQGLUCJ-UHFFFAOYSA-N -1 3 357.410 3.219 20 0 FGADHM O=C(c1ccc2c(c1[O-])CCCC2)N1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000277572850 496816942 /nfs/dbraw/zinc/81/69/42/496816942.db2.gz LDQRIRIZLYGQQQ-WBMJQRKESA-N -1 3 357.372 3.046 20 0 FGADHM O=S(=O)([N-][C@H]1CCO[C@H](c2ccc(F)cc2)C1)c1cc(F)cc(F)c1 ZINC000273509404 496826016 /nfs/dbraw/zinc/82/60/16/496826016.db2.gz LFCAJMFACYDUFD-RDJZCZTQSA-N -1 3 371.380 3.303 20 0 FGADHM O=C(Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1)c1cccc2nn[n-]c21 ZINC000188592488 496844414 /nfs/dbraw/zinc/84/44/14/496844414.db2.gz VKNYCPYURMDGOU-UHFFFAOYSA-N -1 3 372.310 3.415 20 0 FGADHM O=C(Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1)c1cccc2[n-]nnc21 ZINC000188592488 496844417 /nfs/dbraw/zinc/84/44/17/496844417.db2.gz VKNYCPYURMDGOU-UHFFFAOYSA-N -1 3 372.310 3.415 20 0 FGADHM O=C(Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1)c1cccc2n[n-]nc21 ZINC000188592488 496844419 /nfs/dbraw/zinc/84/44/19/496844419.db2.gz VKNYCPYURMDGOU-UHFFFAOYSA-N -1 3 372.310 3.415 20 0 FGADHM Cn1c2ccccc2nc1[C@@H]([N-]S(=O)(=O)c1ccco1)c1ccccc1 ZINC000188645084 496863410 /nfs/dbraw/zinc/86/34/10/496863410.db2.gz OQQBFRIHLXOIJO-SFHVURJKSA-N -1 3 367.430 3.234 20 0 FGADHM Cc1ccc(-c2nc3ccccc3c(NCCc3c(C)[n-][nH]c3=O)n2)s1 ZINC000574866744 505872058 /nfs/dbraw/zinc/87/20/58/505872058.db2.gz DTFPOTKHIBIENY-CYBMUJFWSA-N -1 3 365.462 3.013 20 0 FGADHM CC1(C)CO[C@H](c2ccccc2)CN1C(=O)c1cc(F)cc2[n-]nnc21 ZINC000277814438 496897034 /nfs/dbraw/zinc/89/70/34/496897034.db2.gz WNTCXJHLUYBWRW-INIZCTEOSA-N -1 3 354.385 3.089 20 0 FGADHM CC1(C)CO[C@H](c2ccccc2)CN1C(=O)c1cc(F)cc2nn[n-]c21 ZINC000277814438 496897037 /nfs/dbraw/zinc/89/70/37/496897037.db2.gz WNTCXJHLUYBWRW-INIZCTEOSA-N -1 3 354.385 3.089 20 0 FGADHM CC1(C)CO[C@H](c2ccccc2)CN1C(=O)c1cc(F)cc2n[n-]nc21 ZINC000277814438 496897041 /nfs/dbraw/zinc/89/70/41/496897041.db2.gz WNTCXJHLUYBWRW-INIZCTEOSA-N -1 3 354.385 3.089 20 0 FGADHM C[C@@H](CN1CCC[C@H](C)C1)NC(=O)c1ccc(Br)cc1[O-] ZINC000247979723 496936964 /nfs/dbraw/zinc/93/69/64/496936964.db2.gz GSPVDWCGLAHLHD-RYUDHWBXSA-N -1 3 355.276 3.005 20 0 FGADHM O=C(Nc1cccc2c1CN(CC(F)(F)F)C2)c1cccc2nn[n-]c21 ZINC000191952415 496941935 /nfs/dbraw/zinc/94/19/35/496941935.db2.gz MEHFEPJDKVWZOH-UHFFFAOYSA-N -1 3 361.327 3.088 20 0 FGADHM O=C(Nc1cccc2c1CN(CC(F)(F)F)C2)c1cccc2[n-]nnc21 ZINC000191952415 496941941 /nfs/dbraw/zinc/94/19/41/496941941.db2.gz MEHFEPJDKVWZOH-UHFFFAOYSA-N -1 3 361.327 3.088 20 0 FGADHM O=C(Nc1cccc2c1CN(CC(F)(F)F)C2)c1cccc2n[n-]nc21 ZINC000191952415 496941944 /nfs/dbraw/zinc/94/19/44/496941944.db2.gz MEHFEPJDKVWZOH-UHFFFAOYSA-N -1 3 361.327 3.088 20 0 FGADHM Cc1cccc(C(=O)NCCOc2cccc(Br)c2)c1[O-] ZINC000195559415 496950814 /nfs/dbraw/zinc/95/08/14/496950814.db2.gz GACLTGUSTITOIT-UHFFFAOYSA-N -1 3 350.212 3.272 20 0 FGADHM O=C(CNC(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1)c1cccs1 ZINC000188947759 496957558 /nfs/dbraw/zinc/95/75/58/496957558.db2.gz BBWZMZQAUPRLOY-UHFFFAOYSA-N -1 3 365.410 3.297 20 0 FGADHM C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000264699361 496967004 /nfs/dbraw/zinc/96/70/04/496967004.db2.gz CSORQANUSNBBKT-MRXNPFEDSA-N -1 3 361.445 3.287 20 0 FGADHM COc1ccc([O-])c(-c2nc(-c3ccc(CN4CCCC4=O)cc3)no2)c1 ZINC000273948504 496968292 /nfs/dbraw/zinc/96/82/92/496968292.db2.gz SQNLQKVUKVWAGD-UHFFFAOYSA-N -1 3 365.389 3.240 20 0 FGADHM CCc1cc(=O)[n-]c(CN[C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)n1 ZINC000192096862 496993768 /nfs/dbraw/zinc/99/37/68/496993768.db2.gz PMJVILJBTHMANE-RHSMWYFYSA-N -1 3 351.809 3.157 20 0 FGADHM Cc1noc(C)c1[N-]C(=O)c1csc(CNC(=O)OC(C)(C)C)n1 ZINC000264831204 496994367 /nfs/dbraw/zinc/99/43/67/496994367.db2.gz IJRJZPONVQRCOQ-UHFFFAOYSA-N -1 3 352.416 3.025 20 0 FGADHM C[C@@H]([N-]S(C)(=O)=O)c1nc(-c2ccc(SC(C)(C)C)cc2)no1 ZINC000274100308 497015648 /nfs/dbraw/zinc/01/56/48/497015648.db2.gz UXYNLSOJAGEGKU-SNVBAGLBSA-N -1 3 355.485 3.237 20 0 FGADHM COc1cc(C(=O)N2C[C@H](C)O[C@@H](c3ccccc3)C2)cc(OC)c1[O-] ZINC000269928748 497025704 /nfs/dbraw/zinc/02/57/04/497025704.db2.gz KNMHDNLFIQUAAN-SCLBCKFNSA-N -1 3 357.406 3.012 20 0 FGADHM CCN(CC)C(=O)c1ccc(NC(=O)c2cc(OC)c([O-])c(OC)c2)cc1 ZINC000269940353 497027945 /nfs/dbraw/zinc/02/79/45/497027945.db2.gz NIRJPHJYBUHSNI-UHFFFAOYSA-N -1 3 372.421 3.144 20 0 FGADHM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1CC(=O)Nc1cc(Cl)ccc1F ZINC000248510347 497028428 /nfs/dbraw/zinc/02/84/28/497028428.db2.gz ADNBEFTYPWXUNQ-ONERCXAPSA-N -1 3 354.809 3.135 20 0 FGADHM O=C(N[C@H](CCO)c1ccco1)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000189161622 497029361 /nfs/dbraw/zinc/02/93/61/497029361.db2.gz DDBYJFCUTFCNFF-GOSISDBHSA-N -1 3 365.385 3.070 20 0 FGADHM COc1c(Cl)cc(-n2c([O-])c(CC(F)(F)F)[nH]c2=O)cc1Cl ZINC000278185260 497030960 /nfs/dbraw/zinc/03/09/60/497030960.db2.gz PSPDSJWRFATLGV-QMMMGPOBSA-N -1 3 357.115 3.379 20 0 FGADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1ccc(OC(F)F)c2ncccc12 ZINC000274189542 497035877 /nfs/dbraw/zinc/03/58/77/497035877.db2.gz LLWVPZYYZOALFQ-CYBMUJFWSA-N -1 3 353.325 3.416 20 0 FGADHM O=C([N-]O[C@@H]1CCCCO1)Nc1ccc(OC(F)F)c2ncccc12 ZINC000274189542 497035883 /nfs/dbraw/zinc/03/58/83/497035883.db2.gz LLWVPZYYZOALFQ-CYBMUJFWSA-N -1 3 353.325 3.416 20 0 FGADHM COC(=O)c1sc([N-]C(=O)c2ccnc(F)c2F)nc1C(C)(C)C ZINC000189202990 497043275 /nfs/dbraw/zinc/04/32/75/497043275.db2.gz MNJWIYOAUGSGDM-UHFFFAOYSA-N -1 3 355.366 3.153 20 0 FGADHM Cc1cc(C(=O)N2CC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)ccc1[O-] ZINC000274234431 497048255 /nfs/dbraw/zinc/04/82/55/497048255.db2.gz LIGIRRIJOBMRFO-HXUWFJFHSA-N -1 3 360.454 3.174 20 0 FGADHM Cn1ccc(S(=O)(=O)[N-]C(C)(C)Cc2ccc(Cl)cc2Cl)n1 ZINC000574914358 505881916 /nfs/dbraw/zinc/88/19/16/505881916.db2.gz LIIBHGKYMMOGLJ-UHFFFAOYSA-N -1 3 362.282 3.027 20 0 FGADHM COC(=O)[C@@H](C)CN(C)Cc1nc(=O)c2cc(-c3ccccc3)sc2[n-]1 ZINC000265166321 497061722 /nfs/dbraw/zinc/06/17/22/497061722.db2.gz XMKJPQJJKOTVRU-LBPRGKRZSA-N -1 3 371.462 3.305 20 0 FGADHM CC(C)c1cc(C(=O)N2CC[C@@H](C)S(=O)(=O)CC2)c([O-])c(C(C)C)c1 ZINC000192300002 497067712 /nfs/dbraw/zinc/06/77/12/497067712.db2.gz JPBIBUZEZBDMFG-CQSZACIVSA-N -1 3 367.511 3.288 20 0 FGADHM COc1cc(C(=O)N[C@H]2CCO[C@@H](c3ccccc3)C2)cc(OC)c1[O-] ZINC000274327838 497071411 /nfs/dbraw/zinc/07/14/11/497071411.db2.gz ZAQWKIARCWPSSF-JKSUJKDBSA-N -1 3 357.406 3.060 20 0 FGADHM COc1cccc(C(=O)N2CCC[C@H]2Cn2c(C)nc3ccccc32)c1[O-] ZINC000270240171 497084165 /nfs/dbraw/zinc/08/41/65/497084165.db2.gz OAOGRVRLVMEUOL-HNNXBMFYSA-N -1 3 365.433 3.364 20 0 FGADHM CSC1(C[N-]S(=O)(=O)c2ccc(Br)c(F)c2)CCC1 ZINC000228065955 497093761 /nfs/dbraw/zinc/09/37/61/497093761.db2.gz CCZMQHLTZPOJGB-UHFFFAOYSA-N -1 3 368.293 3.152 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-][C@H](C)c1nc(C(F)(F)F)cs1 ZINC000278452966 497119702 /nfs/dbraw/zinc/11/97/02/497119702.db2.gz WLEFPMGAAGOXRM-ZCFIWIBFSA-N -1 3 372.415 3.272 20 0 FGADHM C[C@H](NC(=O)c1c[n-]c2ccncc2c1=O)c1ccc(OC(F)F)cc1 ZINC000578214005 505888617 /nfs/dbraw/zinc/88/86/17/505888617.db2.gz IEPSQIDRWYFKFM-JTQLQIEISA-N -1 3 359.332 3.016 20 0 FGADHM COc1cc(C(=O)Nc2cccc(C(=O)NC(C)(C)C)c2)cc(OC)c1[O-] ZINC000270707725 497184188 /nfs/dbraw/zinc/18/41/88/497184188.db2.gz KLSSFXKRQIVZJY-UHFFFAOYSA-N -1 3 372.421 3.190 20 0 FGADHM COc1ccc(NC([O-])=NO[C@@H]2CCCCO2)cc1OCc1ccncc1 ZINC000274882349 497189088 /nfs/dbraw/zinc/18/90/88/497189088.db2.gz HSLWWGRPVQYXEX-GOSISDBHSA-N -1 3 373.409 3.249 20 0 FGADHM COc1ccc(NC(=O)[N-]O[C@@H]2CCCCO2)cc1OCc1ccncc1 ZINC000274882349 497189095 /nfs/dbraw/zinc/18/90/95/497189095.db2.gz HSLWWGRPVQYXEX-GOSISDBHSA-N -1 3 373.409 3.249 20 0 FGADHM O=C(c1c([O-])cccc1F)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000274904039 497195345 /nfs/dbraw/zinc/19/53/45/497195345.db2.gz VTNPAJYZQQKEOW-UHFFFAOYSA-N -1 3 366.396 3.336 20 0 FGADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)n1 ZINC000192775583 497211388 /nfs/dbraw/zinc/21/13/88/497211388.db2.gz ARMFINRBDCGPBK-NEPJUHHUSA-N -1 3 355.364 3.104 20 0 FGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCOC2(CCCC2)C1 ZINC000278759670 497211940 /nfs/dbraw/zinc/21/19/40/497211940.db2.gz KCQXAHIRPWTGPR-CYBMUJFWSA-N -1 3 359.875 3.119 20 0 FGADHM O=C(Nc1ccccc1[O-])C1CCN(c2ccc(C(F)(F)F)nn2)CC1 ZINC000270946708 497231317 /nfs/dbraw/zinc/23/13/17/497231317.db2.gz NSRFCIGPSDNZCE-UHFFFAOYSA-N -1 3 366.343 3.056 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]Cc2nc(C)cs2)c(Cl)c1Cl ZINC000266081078 497250781 /nfs/dbraw/zinc/25/07/81/497250781.db2.gz BRVWOYXPJKHHTN-UHFFFAOYSA-N -1 3 367.279 3.245 20 0 FGADHM C[C@@H](NC(=O)CNC(=O)c1cccc([O-])c1)c1ccc(F)c2ccccc21 ZINC000581031867 505894458 /nfs/dbraw/zinc/89/44/58/505894458.db2.gz DKIFBLGHEMEFEG-CYBMUJFWSA-N -1 3 366.392 3.292 20 0 FGADHM CC1(C)[C@H](NC(=O)c2c[n-]nc2-c2ccc(Cl)s2)[C@H]2CCO[C@@H]21 ZINC000189843931 497265145 /nfs/dbraw/zinc/26/51/45/497265145.db2.gz ABMHHZRMNIWPKI-WZYXQFPFSA-N -1 3 351.859 3.335 20 0 FGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)c1 ZINC000266156723 497269184 /nfs/dbraw/zinc/26/91/84/497269184.db2.gz JVPWUMNECBWACC-CABCVRRESA-N -1 3 362.426 3.248 20 0 FGADHM COCCO[C@H]1CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC000275389295 497310312 /nfs/dbraw/zinc/31/03/12/497310312.db2.gz BYPIBUDKMDRXFY-KRWDZBQOSA-N -1 3 357.406 3.062 20 0 FGADHM CCN(CC)C(=O)[C@H](C)Sc1n[n-]c(COc2ccc(Cl)cc2)n1 ZINC000253494956 497335954 /nfs/dbraw/zinc/33/59/54/497335954.db2.gz ZKRGEPXGTOXRPD-NSHDSACASA-N -1 3 368.890 3.386 20 0 FGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000253559667 497342205 /nfs/dbraw/zinc/34/22/05/497342205.db2.gz YYUGQGZVYADDKN-JKIFEVAISA-N -1 3 368.481 3.426 20 0 FGADHM C[C@H](C(=O)NCCCNC(=O)c1cccc([O-])c1)c1cccc(Cl)c1 ZINC000266486469 497354446 /nfs/dbraw/zinc/35/44/46/497354446.db2.gz DEDHSDRKSGRGPS-ZDUSSCGKSA-N -1 3 360.841 3.085 20 0 FGADHM CCNC(=O)Nc1ccc(C)c(NC(=O)c2cc(OC)c([O-])c(OC)c2)c1 ZINC000279181446 497359335 /nfs/dbraw/zinc/35/93/35/497359335.db2.gz IMCKZQXRTAAZLQ-UHFFFAOYSA-N -1 3 373.409 3.112 20 0 FGADHM COc1cc(C(=O)N[C@H](C)[C@H](OC)c2ccc(F)cc2)cc(OC)c1[O-] ZINC000271556194 497382096 /nfs/dbraw/zinc/38/20/96/497382096.db2.gz NNAMVLBDPYDEKH-ZMZPIMSZSA-N -1 3 363.385 3.055 20 0 FGADHM CC(C)(C)OC(=O)[C@H]1CCN(C(=O)c2cc([O-])ccc2C(F)(F)F)C1 ZINC000193455923 497384455 /nfs/dbraw/zinc/38/44/55/497384455.db2.gz MEIOYAJQKUBIBP-JTQLQIEISA-N -1 3 359.344 3.215 20 0 FGADHM CCCCOc1ccc(C(=O)NC2CCN(CC(F)(F)F)CC2)c([O-])c1 ZINC000190218418 497403946 /nfs/dbraw/zinc/40/39/46/497403946.db2.gz VNQOXHLRUSDHJY-UHFFFAOYSA-N -1 3 374.403 3.328 20 0 FGADHM CN(C)CCc1ccccc1NC(=O)C[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000275702083 497407893 /nfs/dbraw/zinc/40/78/93/497407893.db2.gz QQQRZMAIHHJSPX-OAQYLSRUSA-N -1 3 354.450 3.162 20 0 FGADHM CCc1ccc(C(=O)N2CCC(NC(=O)Nc3ccccc3)CC2)c([O-])c1 ZINC000190271652 497421128 /nfs/dbraw/zinc/42/11/28/497421128.db2.gz DMVOIADWBLGQIB-UHFFFAOYSA-N -1 3 367.449 3.381 20 0 FGADHM O=c1nc(CN2CCNC[C@@H]2c2cccc(Cl)c2)[n-]c2ccsc21 ZINC000261690007 497433676 /nfs/dbraw/zinc/43/36/76/497433676.db2.gz KNZYTCFHYHASLT-CQSZACIVSA-N -1 3 360.870 3.197 20 0 FGADHM O=C(CCC[S@](=O)c1ccc(Br)cc1)[N-]OC1CCCC1 ZINC000271804396 497455492 /nfs/dbraw/zinc/45/54/92/497455492.db2.gz NCYSZULVVHQPNQ-NRFANRHFSA-N -1 3 374.300 3.327 20 0 FGADHM O=S(=O)([N-][C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1cccc(Cl)c1Cl ZINC000245562021 497457090 /nfs/dbraw/zinc/45/70/90/497457090.db2.gz VHZLUSBKMWRMON-OWYVNGRQSA-N -1 3 362.278 3.229 20 0 FGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)[C@H]2CCCc3c(O)cccc32)c1 ZINC000190499095 497505764 /nfs/dbraw/zinc/50/57/64/497505764.db2.gz WHNBWLAQTUGADD-HNNXBMFYSA-N -1 3 374.462 3.131 20 0 FGADHM COc1cccc2c1CC[C@H]2Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000272034708 497518492 /nfs/dbraw/zinc/51/84/92/497518492.db2.gz DZWDLFFOAJPUSL-OAHLLOKOSA-N -1 3 362.451 3.175 20 0 FGADHM C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CN1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000262222148 497525579 /nfs/dbraw/zinc/52/55/79/497525579.db2.gz VLULXZKFAMTYMJ-FRIZHTMISA-N -1 3 364.873 3.046 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)c1 ZINC000272097154 497534368 /nfs/dbraw/zinc/53/43/68/497534368.db2.gz KTGVRLKASVHVFB-FUHWJXTLSA-N -1 3 374.824 3.264 20 0 FGADHM O=C(c1cccc([O-])c1)N1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[C@H]3C2)CC1 ZINC000245863238 497552483 /nfs/dbraw/zinc/55/24/83/497552483.db2.gz DSTFRYDJBZSLQU-ZIFCJYIRSA-N -1 3 370.493 3.283 20 0 FGADHM Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)[N-]OC[C@@H]1CCOC1 ZINC000276355623 497553324 /nfs/dbraw/zinc/55/33/24/497553324.db2.gz JHNRQGFRGFUXIW-OAHLLOKOSA-N -1 3 369.421 3.337 20 0 FGADHM CCCCOc1ccc(C(=O)N2CC[C@@H](C)[C@H](n3ccnc3)C2)c([O-])c1 ZINC000190634098 497553673 /nfs/dbraw/zinc/55/36/73/497553673.db2.gz XLGDLIOURVUFNV-CRAIPNDOSA-N -1 3 357.454 3.491 20 0 FGADHM CC(C)(C)C(=O)NC1CCC(C(=O)N2CCCc3cccc([O-])c32)CC1 ZINC000279831678 497556845 /nfs/dbraw/zinc/55/68/45/497556845.db2.gz VPGXYGDAQYNIKK-UHFFFAOYSA-N -1 3 358.482 3.393 20 0 FGADHM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)CC1CC1 ZINC000190653329 497560392 /nfs/dbraw/zinc/56/03/92/497560392.db2.gz XUMYQUABTCMEPW-NEPJUHHUSA-N -1 3 361.891 3.221 20 0 FGADHM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)C(C)(C)C ZINC000190650732 497560583 /nfs/dbraw/zinc/56/05/83/497560583.db2.gz XEUBJBQSVUNFEX-VXGBXAGGSA-N -1 3 363.907 3.467 20 0 FGADHM CSc1nc([N-]C(=O)c2cc3sc(N4CCCC4)nc3s2)n[nH]1 ZINC000279862123 497567574 /nfs/dbraw/zinc/56/75/74/497567574.db2.gz SOKORPABPYASCK-UHFFFAOYSA-N -1 3 366.497 3.050 20 0 FGADHM O=S(=O)(Cc1c(F)cccc1F)[N-][C@H]1CCOc2c(F)cccc21 ZINC000190725867 497586459 /nfs/dbraw/zinc/58/64/59/497586459.db2.gz VDCNDFWLYIKULA-HNNXBMFYSA-N -1 3 357.353 3.047 20 0 FGADHM CC(=O)N(CC(=O)[O-])[C@@H]1CCCN([C@@H](C)c2ccccc2Cl)CC1 ZINC000262760812 497614878 /nfs/dbraw/zinc/61/48/78/497614878.db2.gz KQQNDJMGFKSSQB-DZGCQCFKSA-N -1 3 352.862 3.189 20 0 FGADHM COCC[C@H]([N-]S(=O)(=O)c1ccccc1Br)c1ccco1 ZINC000272405947 497620013 /nfs/dbraw/zinc/62/00/13/497620013.db2.gz KSXAQOBEISUCHR-LBPRGKRZSA-N -1 3 374.256 3.098 20 0 FGADHM COCC[C@@H]([N-]S(=O)(=O)c1ccccc1Br)c1ccco1 ZINC000272405944 497620036 /nfs/dbraw/zinc/62/00/36/497620036.db2.gz KSXAQOBEISUCHR-GFCCVEGCSA-N -1 3 374.256 3.098 20 0 FGADHM O=C(c1n[nH]c(C2CC2)c1Br)N1CCCc2cccc([O-])c21 ZINC000272448194 497630690 /nfs/dbraw/zinc/63/06/90/497630690.db2.gz JGVMNVUWVGUBSR-UHFFFAOYSA-N -1 3 362.227 3.348 20 0 FGADHM Cc1ccc(CN[C@@H](CC(=O)[O-])c2ccncc2)c(-c2cnn(C)c2)c1 ZINC000575073127 505914337 /nfs/dbraw/zinc/91/43/37/505914337.db2.gz SEPYGFNNAFBJOJ-IBGZPJMESA-N -1 3 350.422 3.096 20 0 FGADHM CCN1CCN(c2ccc(NC(=O)c3cccc(C)c3[O-])c(C)c2)CC1 ZINC000194364211 497645354 /nfs/dbraw/zinc/64/53/54/497645354.db2.gz YUODRPGZHLNPMD-UHFFFAOYSA-N -1 3 353.466 3.403 20 0 FGADHM O=C(c1cccc([O-])c1)N1CCN(C[C@@H]2CCC3(CCCCC3)O2)CC1 ZINC000190994128 497676408 /nfs/dbraw/zinc/67/64/08/497676408.db2.gz HNRFRYVXGURYGP-IBGZPJMESA-N -1 3 358.482 3.032 20 0 FGADHM CO[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)C1 ZINC000191055031 497694855 /nfs/dbraw/zinc/69/48/55/497694855.db2.gz WZHGZXAVKQLMFV-NXEZZACHSA-N -1 3 357.781 3.205 20 0 FGADHM C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CN1CCC[C@H](CCC(=O)[O-])C1 ZINC000263059617 497694837 /nfs/dbraw/zinc/69/48/37/497694837.db2.gz FJCNDHJRRBEOBM-HUUCEWRRSA-N -1 3 366.889 3.436 20 0 FGADHM COc1cccc(OC)c1OC1CCN([C@@H](C(=O)[O-])c2ccccc2)CC1 ZINC000578368224 505923602 /nfs/dbraw/zinc/92/36/02/505923602.db2.gz HGWJSNHUECNKJT-LJQANCHMSA-N -1 3 371.433 3.373 20 0 FGADHM COc1cc(-c2noc([C@H](C)[C@@H](C)NC(=O)OC(C)(C)C)n2)ccc1[O-] ZINC000276962139 497700722 /nfs/dbraw/zinc/70/07/22/497700722.db2.gz VSQOBTSTAATYEW-GHMZBOCLSA-N -1 3 363.414 3.468 20 0 FGADHM CSCC[C@@H](NCc1ccc(Br)cc1Cl)C(=O)[O-] ZINC000276963050 497700883 /nfs/dbraw/zinc/70/08/83/497700883.db2.gz FYMZIIMCLZLYEL-LLVKDONJSA-N -1 3 352.681 3.398 20 0 FGADHM C[C@@H]1CN([C@@H](c2nc(-c3ccccc3)no2)c2ccccc2)C[C@H]1C(=O)[O-] ZINC000263106682 497706215 /nfs/dbraw/zinc/70/62/15/497706215.db2.gz BJZAUDYNLFRYGQ-ZTFGCOKTSA-N -1 3 363.417 3.479 20 0 FGADHM CC(C)Cc1ccc([C@H](C)NC(=O)CN2C[C@H](C(=O)[O-])C[C@H](C)C2)cc1 ZINC000263104858 497706538 /nfs/dbraw/zinc/70/65/38/497706538.db2.gz BGZBVNAKLUFWEY-TXPKVOOTSA-N -1 3 360.498 3.105 20 0 FGADHM COc1cc(C(=O)NCc2cccc(COCC(F)(F)F)c2)ccc1[O-] ZINC000277027319 497720064 /nfs/dbraw/zinc/72/00/64/497720064.db2.gz DKTWNFIWCSQCCQ-UHFFFAOYSA-N -1 3 369.339 3.410 20 0 FGADHM Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000575119882 505925654 /nfs/dbraw/zinc/92/56/54/505925654.db2.gz AMXGOLJRUVWQST-QWHCGFSZSA-N -1 3 367.437 3.480 20 0 FGADHM Cc1cc(CS(=O)(=O)[N-]C2(c3c(Cl)cccc3Cl)CC2)no1 ZINC000268379648 497737102 /nfs/dbraw/zinc/73/71/02/497737102.db2.gz UOEKDIOWQVYYJA-UHFFFAOYSA-N -1 3 361.250 3.399 20 0 FGADHM CC(C)OCCCC[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000272828621 497739826 /nfs/dbraw/zinc/73/98/26/497739826.db2.gz KKOHXHMXKHYFID-UHFFFAOYSA-N -1 3 368.268 3.072 20 0 FGADHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(-c3n[nH]c(C)n3)c2)c(C)c1 ZINC000194729265 497751996 /nfs/dbraw/zinc/75/19/96/497751996.db2.gz XNDCSXKEMRKPHJ-UHFFFAOYSA-N -1 3 372.450 3.288 20 0 FGADHM C[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000263306316 497754141 /nfs/dbraw/zinc/75/41/41/497754141.db2.gz HHNVTKFPJKGNGW-SPYBWZPUSA-N -1 3 368.433 3.458 20 0 FGADHM C[C@@H](CN(C)[C@@H](C)C(=O)Nc1ccc(OCc2ccccc2)cc1)C(=O)[O-] ZINC000263314403 497756391 /nfs/dbraw/zinc/75/63/91/497756391.db2.gz IMOAGADMBUDOGG-HOTGVXAUSA-N -1 3 370.449 3.245 20 0 FGADHM COCc1nc(SCC(=O)N[C@@H](C)c2cccc3ccccc32)n[n-]1 ZINC000268486629 497763583 /nfs/dbraw/zinc/76/35/83/497763583.db2.gz KTIKGYTVGGOWDT-LBPRGKRZSA-N -1 3 356.451 3.074 20 0 FGADHM C[C@@H]1C[C@H](C(=O)[O-])CN([C@H](C(=O)Nc2ccccc2)c2ccccc2)C1 ZINC000263378675 497771274 /nfs/dbraw/zinc/77/12/74/497771274.db2.gz WXKQGDLEBKJRAR-AYBZRNKSSA-N -1 3 352.434 3.409 20 0 FGADHM C[C@@H]1C[C@@H](C(=O)[O-])CN([C@@H](C(=O)Nc2ccccc2)c2ccccc2)C1 ZINC000263378679 497771997 /nfs/dbraw/zinc/77/19/97/497771997.db2.gz WXKQGDLEBKJRAR-SZVBFZGTSA-N -1 3 352.434 3.409 20 0 FGADHM O=C([O-])[C@@H](Cn1ccc(C(F)(F)F)n1)NCc1csc2ccccc12 ZINC000277240470 497785718 /nfs/dbraw/zinc/78/57/18/497785718.db2.gz JEKPNBQGSCAWBR-GFCCVEGCSA-N -1 3 369.368 3.360 20 0 FGADHM COC1(C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)CCC1 ZINC000273071810 497795382 /nfs/dbraw/zinc/79/53/82/497795382.db2.gz ZZHXTLZZLNDJGE-UHFFFAOYSA-N -1 3 374.462 3.303 20 0 FGADHM CC(C)(C)OC(=O)CCCCCNC(=O)c1c[n-]nc1-c1ccccn1 ZINC000572294550 505935576 /nfs/dbraw/zinc/93/55/76/505935576.db2.gz SRRSKNKIHRQPDU-UHFFFAOYSA-N -1 3 358.442 3.104 20 0 FGADHM O=c1[n-]c(CN2CCCc3occc3C2)nc2c1cnn2-c1ccccc1 ZINC000288640048 497854593 /nfs/dbraw/zinc/85/45/93/497854593.db2.gz ALEQTNQLZUMOCL-UHFFFAOYSA-N -1 3 361.405 3.063 20 0 FGADHM CCCc1nc(C)c(C[N-]S(=O)(=O)c2ccccc2C(F)(F)F)o1 ZINC000292055267 497857626 /nfs/dbraw/zinc/85/76/26/497857626.db2.gz OBYGCGIJJYZQBF-UHFFFAOYSA-N -1 3 362.373 3.433 20 0 FGADHM O=S(=O)(/C=C/c1cccc(Cl)c1)[N-]c1cnn(C[C@H]2CCCO2)c1 ZINC000364246711 497860013 /nfs/dbraw/zinc/86/00/13/497860013.db2.gz YZQQZQXKIJCXNH-IQIBNGDESA-N -1 3 367.858 3.128 20 0 FGADHM O=C(c1cc(=O)c2ccccc2[n-]1)N(Cc1ccncc1)C[C@H]1CCCO1 ZINC000299637903 497876769 /nfs/dbraw/zinc/87/67/69/497876769.db2.gz HNUAVMSFIXTBOF-MRXNPFEDSA-N -1 3 363.417 3.157 20 0 FGADHM COC(=O)c1ccccc1-c1ccc(CN2CC[C@H](C)[C@H](C(=O)[O-])C2)o1 ZINC000578442684 505940806 /nfs/dbraw/zinc/94/08/06/505940806.db2.gz CVAZVIOSTSVGDP-SUMWQHHRSA-N -1 3 357.406 3.276 20 0 FGADHM CC(C)Oc1ccccc1[C@@H](C)NC(=O)c1c[n-]c2ccncc2c1=O ZINC000575229621 505947565 /nfs/dbraw/zinc/94/75/65/505947565.db2.gz RIXPLYHCTIJLGR-CYBMUJFWSA-N -1 3 351.406 3.201 20 0 FGADHM O=S(=O)([N-][C@@H]1CCO[C@@H](c2cccnc2)C1)c1ccc(Cl)cc1F ZINC000296103958 497922829 /nfs/dbraw/zinc/92/28/29/497922829.db2.gz QEGLVAOWQLVRCH-UKRRQHHQSA-N -1 3 370.833 3.073 20 0 FGADHM COC(=O)CCCO[N-]C(=O)Nc1cccc(-c2ccccc2OC)c1 ZINC000288874489 497927779 /nfs/dbraw/zinc/92/77/79/497927779.db2.gz RXNQFBWFYQZEIE-UHFFFAOYSA-N -1 3 358.394 3.369 20 0 FGADHM Cc1cc(N2CCC(C(=O)Nc3ccccc3[O-])CC2)nc(C(C)C)n1 ZINC000301085842 497945595 /nfs/dbraw/zinc/94/55/95/497945595.db2.gz XFPNCXAQXHVHPZ-UHFFFAOYSA-N -1 3 354.454 3.469 20 0 FGADHM O=S(=O)([N-][C@@H]1CCC[C@H]2OCC[C@H]21)c1cc(Cl)cc(Cl)c1 ZINC000329899552 497945754 /nfs/dbraw/zinc/94/57/54/497945754.db2.gz FNGVCHBIPFJEDB-BFHYXJOUSA-N -1 3 350.267 3.229 20 0 FGADHM C[C@@H](c1ccccc1Cl)N1CCN(C(=O)c2csc(=O)[n-]2)CC1 ZINC000329916492 497953067 /nfs/dbraw/zinc/95/30/67/497953067.db2.gz QICAOQAUMNSJOD-NSHDSACASA-N -1 3 351.859 3.021 20 0 FGADHM O=C(COc1cc(F)cc(F)c1)NCc1ccc([O-])c(Br)c1 ZINC000569537213 505957563 /nfs/dbraw/zinc/95/75/63/505957563.db2.gz XRMALBSQUJTONV-UHFFFAOYSA-N -1 3 372.165 3.128 20 0 FGADHM CO[C@H](CS(=O)(=O)[N-]c1cccc(-c2csc(C)n2)c1)C1CC1 ZINC000575310935 505958273 /nfs/dbraw/zinc/95/82/73/505958273.db2.gz KWWGUAMYGKYKFE-MRXNPFEDSA-N -1 3 352.481 3.285 20 0 FGADHM Cc1csc(C2([N-]S(=O)(=O)c3ccc4ncsc4c3)CCC2)n1 ZINC000330018786 497992692 /nfs/dbraw/zinc/99/26/92/497992692.db2.gz UCDKRVZKHZLXPK-UHFFFAOYSA-N -1 3 365.505 3.419 20 0 FGADHM Cc1c(CN2CCSCC2)cccc1[N-]S(=O)(=O)c1ccsc1 ZINC000285139396 498005047 /nfs/dbraw/zinc/00/50/47/498005047.db2.gz QQPUBPPSOSNPBD-UHFFFAOYSA-N -1 3 368.549 3.406 20 0 FGADHM COc1ccc([O-])c(-c2nc([C@H](NC(=O)c3ccccc3)C3CC3)no2)c1 ZINC000289096133 498014188 /nfs/dbraw/zinc/01/41/88/498014188.db2.gz KOARVKGWEBALPC-QGZVFWFLSA-N -1 3 365.389 3.332 20 0 FGADHM CC[C@@H]1CN(c2c(C(=O)[O-])cnc3ccc(C)cc32)C[C@]2(CCOC2)O1 ZINC000569578894 505969254 /nfs/dbraw/zinc/96/92/54/505969254.db2.gz BHJLIBJQJZQLIV-VLIAUNLRSA-N -1 3 356.422 3.016 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cn(C(C)C)cn3)c2)n1 ZINC000281247713 498072801 /nfs/dbraw/zinc/07/28/01/498072801.db2.gz NQICTNHIRWHMQH-UHFFFAOYSA-N -1 3 351.410 3.441 20 0 FGADHM CCc1ccc(-c2ccc(C(=O)[N-]c3nc(C(=O)OC)ns3)o2)cc1 ZINC000578590934 505974440 /nfs/dbraw/zinc/97/44/40/505974440.db2.gz FHABCFLEJRCLAZ-UHFFFAOYSA-N -1 3 357.391 3.399 20 0 FGADHM CC(C)(C)c1cc(CS(=O)(=O)[N-]c2ccc([C@H]3CCOC3)cc2)no1 ZINC000578594600 505975537 /nfs/dbraw/zinc/97/55/37/505975537.db2.gz LJIWHZYGBVPTBY-AWEZNQCLSA-N -1 3 364.467 3.418 20 0 FGADHM CS(=O)(=O)[N-]c1cncc(-c2nc(-c3ccc4ccccc4c3)no2)c1 ZINC000350405903 498094370 /nfs/dbraw/zinc/09/43/70/498094370.db2.gz ZNBVAMMMQAIQJZ-UHFFFAOYSA-N -1 3 366.402 3.323 20 0 FGADHM O=C(Cc1ccc([O-])cc1Cl)N1C[C@H](O)C[C@@H]1c1ccc(F)c(F)c1 ZINC000364697503 498097518 /nfs/dbraw/zinc/09/75/18/498097518.db2.gz DXXHQZFBQKLCRC-CXAGYDPISA-N -1 3 367.779 3.201 20 0 FGADHM Cc1nc([C@@H](C)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)no1 ZINC000289353708 498116304 /nfs/dbraw/zinc/11/63/04/498116304.db2.gz LOAYVTHJDAOIKY-SNVBAGLBSA-N -1 3 364.833 3.149 20 0 FGADHM Cc1ccc2c(ncc(C(=O)[O-])c2N2CC[C@H]([C@@H](O)C(F)(F)F)C2)c1C ZINC000572486696 505981094 /nfs/dbraw/zinc/98/10/94/505981094.db2.gz FYXQFACZEFMONN-MEDUHNTESA-N -1 3 368.355 3.299 20 0 FGADHM CC(C)Oc1ccc([N-]S(=O)(=O)Cc2nc(-c3ccoc3)no2)cc1 ZINC000350815109 498139582 /nfs/dbraw/zinc/13/95/82/498139582.db2.gz QZGICWXWAULQLP-UHFFFAOYSA-N -1 3 363.395 3.059 20 0 FGADHM Cc1nn(C)c(C)c1[C@@H](C)C(=O)Nc1cc(Br)ccc1[O-] ZINC000330487766 498140484 /nfs/dbraw/zinc/14/04/84/498140484.db2.gz HBOFHQDJOSPHLM-MRVPVSSYSA-N -1 3 352.232 3.247 20 0 FGADHM CCC(=O)c1ccc(Cl)c(S(=O)(=O)[N-][C@H](C)c2nnc(C)s2)c1 ZINC000281454440 498156325 /nfs/dbraw/zinc/15/63/25/498156325.db2.gz LBZNDHDJNKPKLY-MRVPVSSYSA-N -1 3 373.887 3.132 20 0 FGADHM CCN(Cc1ccc(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)cc1)C1CC1 ZINC000572522577 505988763 /nfs/dbraw/zinc/98/87/63/505988763.db2.gz FUGTWLAWGSVNLG-INIZCTEOSA-N -1 3 358.482 3.388 20 0 FGADHM C[C@H]1C[C@@H](C[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CCO1 ZINC000330639683 498165255 /nfs/dbraw/zinc/16/52/55/498165255.db2.gz PGXFPJXUGANZLQ-UWVGGRQHSA-N -1 3 371.808 3.452 20 0 FGADHM Cc1ccc(NC(=O)c2ccccc2)cc1NC([O-])=NOC(C)(C)CO ZINC000296715031 498166832 /nfs/dbraw/zinc/16/68/32/498166832.db2.gz TUFFJWCXGAGPQP-UHFFFAOYSA-N -1 3 357.410 3.071 20 0 FGADHM Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)[N-]OC(C)(C)CO ZINC000296715031 498166835 /nfs/dbraw/zinc/16/68/35/498166835.db2.gz TUFFJWCXGAGPQP-UHFFFAOYSA-N -1 3 357.410 3.071 20 0 FGADHM C[C@H](CON=C([O-])Nc1ccc2cnccc2c1)NC(=O)OC(C)(C)C ZINC000296740475 498177238 /nfs/dbraw/zinc/17/72/38/498177238.db2.gz AXKLOINOOVYOHY-GFCCVEGCSA-N -1 3 360.414 3.201 20 0 FGADHM C[C@H](CO[N-]C(=O)Nc1ccc2cnccc2c1)NC(=O)OC(C)(C)C ZINC000296740475 498177246 /nfs/dbraw/zinc/17/72/46/498177246.db2.gz AXKLOINOOVYOHY-GFCCVEGCSA-N -1 3 360.414 3.201 20 0 FGADHM Cc1ccc(O[C@@H](C)C(=O)[N-]c2nncn2C2CC2)c(Br)c1 ZINC000285711491 498177955 /nfs/dbraw/zinc/17/79/55/498177955.db2.gz HXDKUDAJRJBLBG-JTQLQIEISA-N -1 3 365.231 3.090 20 0 FGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]C[C@@H]3CCOC[C@H]3C)s2)cs1 ZINC000285722985 498182579 /nfs/dbraw/zinc/18/25/79/498182579.db2.gz UPYPQIDSUDPNHA-PWSUYJOCSA-N -1 3 372.537 3.131 20 0 FGADHM O=C([N-]C[C@@H]1CCCN(Cc2cnc3ccccc3c2)C1)C(F)(F)F ZINC000289588886 498206394 /nfs/dbraw/zinc/20/63/94/498206394.db2.gz XBJGEYQGDUCNBM-ZDUSSCGKSA-N -1 3 351.372 3.125 20 0 FGADHM COC(=O)c1cc(C(C)(C)NCc2cc([O-])cc(C(F)(F)F)c2)no1 ZINC000572566582 505998602 /nfs/dbraw/zinc/99/86/02/505998602.db2.gz SEDUKRVKOUOYPK-UHFFFAOYSA-N -1 3 358.316 3.211 20 0 FGADHM O=c1[nH]ccc2c([N-]S(=O)(=O)CCC3Cc4ccccc4C3)cccc12 ZINC000581492162 506001044 /nfs/dbraw/zinc/00/10/44/506001044.db2.gz WNYLPEMWDVDHEA-UHFFFAOYSA-N -1 3 368.458 3.487 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]C2CCC(C(F)(F)F)CC2)c(F)c1 ZINC000331072953 498247037 /nfs/dbraw/zinc/24/70/37/498247037.db2.gz JQLBXCMFODGOKP-UHFFFAOYSA-N -1 3 355.353 3.234 20 0 FGADHM COC(=O)c1nc([N-]C(=O)c2nnc(C(C)C)s2)sc1C(C)C ZINC000293056192 498251394 /nfs/dbraw/zinc/25/13/94/498251394.db2.gz PRKRYQIYIPJLGW-UHFFFAOYSA-N -1 3 354.457 3.280 20 0 FGADHM O=C1Nc2cc(Cl)ccc2[C@@H]1C1CCN(Cc2ncccc2[O-])CC1 ZINC000575786048 506004496 /nfs/dbraw/zinc/00/44/96/506004496.db2.gz DEWGZOIADWALJW-SFHVURJKSA-N -1 3 357.841 3.389 20 0 FGADHM [O-]c1cc(F)cc(CN2CCOC[C@@H]2c2nc(-c3cccs3)no2)c1 ZINC000281762591 498260536 /nfs/dbraw/zinc/26/05/36/498260536.db2.gz LNVZATDRDFBQND-CQSZACIVSA-N -1 3 361.398 3.216 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CC[C@H](C(F)(F)F)C(C)(C)C2)c1 ZINC000331141583 498261450 /nfs/dbraw/zinc/26/14/50/498261450.db2.gz XKPLUYHJLYYQEV-AWEZNQCLSA-N -1 3 358.360 3.401 20 0 FGADHM CC(C)c1cc(N2CCN(C(=O)c3cccc([O-])c3)CC2)nc(C(C)C)n1 ZINC000301813674 498275567 /nfs/dbraw/zinc/27/55/67/498275567.db2.gz ICLYDKAMJCWSDD-UHFFFAOYSA-N -1 3 368.481 3.391 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@](C)(O)c3ccc(F)cc3)nc2)n1 ZINC000301831313 498284178 /nfs/dbraw/zinc/28/41/78/498284178.db2.gz IHFIZJNXMPMFRX-FQEVSTJZSA-N -1 3 368.412 3.265 20 0 FGADHM CC(C)OCc1cc(NC(=O)Nc2cccc3c2CNC3=O)ccc1[O-] ZINC000289798802 498299008 /nfs/dbraw/zinc/29/90/08/498299008.db2.gz USSJQBCMKDLJNH-UHFFFAOYSA-N -1 3 355.394 3.205 20 0 FGADHM CO[C@@H](C)CS(=O)(=O)[N-]c1cc(Cl)c(C)cc1Br ZINC000331323911 498300831 /nfs/dbraw/zinc/30/08/31/498300831.db2.gz LWBWGSXJOBAXSB-QMMMGPOBSA-N -1 3 356.669 3.188 20 0 FGADHM CO[C@H](C)CS(=O)(=O)[N-]c1c(F)cc(Br)cc1Cl ZINC000331347875 498306324 /nfs/dbraw/zinc/30/63/24/498306324.db2.gz WWFSSOMCRKULGW-ZCFIWIBFSA-N -1 3 360.632 3.018 20 0 FGADHM COc1ccc(C(=O)N2CCC(C(=O)c3ccc(C)cc3)CC2)c([O-])c1 ZINC000360851512 498317932 /nfs/dbraw/zinc/31/79/32/498317932.db2.gz RZECHCSOGRMMEE-UHFFFAOYSA-N -1 3 353.418 3.444 20 0 FGADHM O=c1nc(CN2CCC[C@H](O)CC2)[n-]c2sc(-c3ccccc3)cc21 ZINC000293317151 498343969 /nfs/dbraw/zinc/34/39/69/498343969.db2.gz XJLWNKXJYHJRIF-AWEZNQCLSA-N -1 3 355.463 3.411 20 0 FGADHM CO[C@@](C)(C(=O)[N-]c1nc(-c2cccs2)nn1C)c1ccccc1F ZINC000569797750 506019233 /nfs/dbraw/zinc/01/92/33/506019233.db2.gz CZXSJBSHRLLUQD-QGZVFWFLSA-N -1 3 360.414 3.183 20 0 FGADHM Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)NCc2nnc(C(F)(F)F)[n-]2)o1 ZINC000331518440 498358566 /nfs/dbraw/zinc/35/85/66/498358566.db2.gz VKWMBBPHHCACCM-KOLCDFICSA-N -1 3 371.363 3.408 20 0 FGADHM Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)NCc2n[n-]c(C(F)(F)F)n2)o1 ZINC000331518440 498358571 /nfs/dbraw/zinc/35/85/71/498358571.db2.gz VKWMBBPHHCACCM-KOLCDFICSA-N -1 3 371.363 3.408 20 0 FGADHM Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)NCc2nc(C(F)(F)F)n[n-]2)o1 ZINC000331518440 498358577 /nfs/dbraw/zinc/35/85/77/498358577.db2.gz VKWMBBPHHCACCM-KOLCDFICSA-N -1 3 371.363 3.408 20 0 FGADHM CC[C@@H](C)CO[N-]C(=O)Nc1cccc(CS(=O)(=O)C(C)(C)C)c1 ZINC000293382878 498365813 /nfs/dbraw/zinc/36/58/13/498365813.db2.gz PVMILABZDYHZID-CYBMUJFWSA-N -1 3 356.488 3.499 20 0 FGADHM Cc1ccc(C)c(C(=O)NC2CCN(C(=O)c3cccc([O-])c3)CC2)c1 ZINC000361297549 498372749 /nfs/dbraw/zinc/37/27/49/498372749.db2.gz HHRJVFIATOXFQX-UHFFFAOYSA-N -1 3 352.434 3.044 20 0 FGADHM C[C@H]([C@@H](C)c1ccc(Cl)cc1)N(C)CC(=O)N1CCC(C(=O)[O-])CC1 ZINC000569818591 506023604 /nfs/dbraw/zinc/02/36/04/506023604.db2.gz UYCJODCFSHPITD-ZIAGYGMSSA-N -1 3 366.889 3.087 20 0 FGADHM Cn1[n-]c(=NC(=O)N2CCC[C@](C)(c3ccccc3)C2)cc1OC(F)F ZINC000331609421 498391772 /nfs/dbraw/zinc/39/17/72/498391772.db2.gz MYWQPIMKTFBFDJ-SFHVURJKSA-N -1 3 364.396 3.029 20 0 FGADHM COc1ccccc1O[C@H]1CCCN(Cc2nc3ccsc3c(=O)[n-]2)C1 ZINC000286606821 498451082 /nfs/dbraw/zinc/45/10/82/498451082.db2.gz WXYDRTBGJIBNRO-ZDUSSCGKSA-N -1 3 371.462 3.449 20 0 FGADHM CN(C[C@H]1CCN(C(=O)c2cc([O-])ccc2Cl)C1)C(=O)OC(C)(C)C ZINC000290185446 498456377 /nfs/dbraw/zinc/45/63/77/498456377.db2.gz GKNGMEJHICLRGL-GFCCVEGCSA-N -1 3 368.861 3.375 20 0 FGADHM Cc1ccccc1[C@@H]([C@@H](C)N=c1[n-]nc(-c2ccccn2)s1)N(C)C ZINC000569881538 506037533 /nfs/dbraw/zinc/03/75/33/506037533.db2.gz DRSAWLOKJHSUDX-RHSMWYFYSA-N -1 3 353.495 3.434 20 0 FGADHM CN(CCC[N-]C(=O)C(F)(F)F)[C@@H](c1ccccc1)c1ccccn1 ZINC000362303447 498491089 /nfs/dbraw/zinc/49/10/89/498491089.db2.gz AVOVULLTMJBQMC-INIZCTEOSA-N -1 3 351.372 3.171 20 0 FGADHM O=C(Nc1ccccc1[O-])C1CCN(C(=O)Nc2cc(Cl)ccn2)CC1 ZINC000286729949 498491645 /nfs/dbraw/zinc/49/16/45/498491645.db2.gz KBANCGNLQNNOIA-UHFFFAOYSA-N -1 3 374.828 3.323 20 0 FGADHM O=C(c1c([O-])cnc2ccc(Cl)cc21)N1CCC(c2ncc[nH]2)CC1 ZINC000282396411 498494181 /nfs/dbraw/zinc/49/41/81/498494181.db2.gz FAFUODMTRKHKFA-UHFFFAOYSA-N -1 3 356.813 3.337 20 0 FGADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCOC[C@H]1CC(F)F ZINC000286757498 498501036 /nfs/dbraw/zinc/50/10/36/498501036.db2.gz PGPKBQHPCDZEKH-MRXNPFEDSA-N -1 3 361.388 3.479 20 0 FGADHM Cn1cc2c(n1)CCC[C@H]2[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000282429842 498508397 /nfs/dbraw/zinc/50/83/97/498508397.db2.gz FMSIFYZCVULBNQ-GFCCVEGCSA-N -1 3 360.266 3.083 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H](C)[C@@H](O)c3ccc(F)cc3)nc2)n1 ZINC000302655355 498524464 /nfs/dbraw/zinc/52/44/64/498524464.db2.gz KTESXXUBNUTIJB-HXPMCKFVSA-N -1 3 368.412 3.480 20 0 FGADHM Oc1[n-]c(NCC2(c3cc(F)cc(C(F)(F)F)c3)CC2)nc2nncc1-2 ZINC000302671067 498528302 /nfs/dbraw/zinc/52/83/02/498528302.db2.gz NYVHZFJBHMBDST-UHFFFAOYSA-N -1 3 367.306 3.360 20 0 FGADHM CC(C)N1CC[C@@H](NC(=O)c2csc(=O)[n-]2)[C@H]1c1ccc(F)c(F)c1 ZINC000365558594 498532315 /nfs/dbraw/zinc/53/23/15/498532315.db2.gz DXWOFUZXPZEAPM-UKRRQHHQSA-N -1 3 367.421 3.081 20 0 FGADHM CC(C)N1CC[C@H](NC(=O)c2csc(=O)[n-]2)[C@@H]1c1ccc(F)c(F)c1 ZINC000365558595 498532377 /nfs/dbraw/zinc/53/23/77/498532377.db2.gz DXWOFUZXPZEAPM-ZFWWWQNUSA-N -1 3 367.421 3.081 20 0 FGADHM CCc1c([N-]C(=O)COCc2cccc(OC)c2)onc1C(F)(F)F ZINC000569953031 506054995 /nfs/dbraw/zinc/05/49/95/506054995.db2.gz AXSUHCONKVBTQT-UHFFFAOYSA-N -1 3 358.316 3.420 20 0 FGADHM COC(=O)Cc1occc1C(=O)[N-]c1nnc(-c2cc(C)cc(C)c2)s1 ZINC000572805726 506056082 /nfs/dbraw/zinc/05/60/82/506056082.db2.gz GGJRDUKSYBHRMF-UHFFFAOYSA-N -1 3 371.418 3.383 20 0 FGADHM CC(F)(F)CCCNC(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000297818983 498577671 /nfs/dbraw/zinc/57/76/71/498577671.db2.gz ZENFKXGDXVEJQF-UHFFFAOYSA-N -1 3 369.412 3.188 20 0 FGADHM CC[C@@H]1c2ccsc2CCN1C(=O)N=c1cc(OC(F)F)n(C)[n-]1 ZINC000332196177 498598563 /nfs/dbraw/zinc/59/85/63/498598563.db2.gz CJGHZDRASNENRD-SNVBAGLBSA-N -1 3 356.398 3.046 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CC[C@H](Oc3ccc(Cl)cc3)C2)c1 ZINC000294171446 498609496 /nfs/dbraw/zinc/60/94/96/498609496.db2.gz SQQUGCCXCDXTRN-INIZCTEOSA-N -1 3 374.824 3.298 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)N(C)CC(F)(F)F)c2)n1 ZINC000363029686 498611789 /nfs/dbraw/zinc/61/17/89/498611789.db2.gz PVPVCXXYHUUGKI-UHFFFAOYSA-N -1 3 354.332 3.438 20 0 FGADHM Cc1cc(Br)ccc1CN1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000332243833 498616150 /nfs/dbraw/zinc/61/61/50/498616150.db2.gz AZAQLTLOHSRBNH-LBPRGKRZSA-N -1 3 352.232 3.226 20 0 FGADHM CC1(C)CCN(Cc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)CCS1 ZINC000297945505 498617066 /nfs/dbraw/zinc/61/70/66/498617066.db2.gz AQSDZCUMZCVBFO-UHFFFAOYSA-N -1 3 369.494 3.239 20 0 FGADHM O=C([N-]C[C@H]1CCCN(c2ccnc(-c3ccccc3)n2)C1)C(F)(F)F ZINC000290627403 498624072 /nfs/dbraw/zinc/62/40/72/498624072.db2.gz GUZOBFLVTATDBL-CYBMUJFWSA-N -1 3 364.371 3.039 20 0 FGADHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc(C(C)C)n(C)n3)c2)n1 ZINC000365751838 498625029 /nfs/dbraw/zinc/62/50/29/498625029.db2.gz KSUCWECSPOCSJU-UHFFFAOYSA-N -1 3 351.410 3.267 20 0 FGADHM COc1cccc(C(=O)NCCc2ccc(F)c(Br)c2)c1[O-] ZINC000302934344 498631530 /nfs/dbraw/zinc/63/15/30/498631530.db2.gz FKOWUSURPURGBG-UHFFFAOYSA-N -1 3 368.202 3.275 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)C2CC3(CCC3)C2)c1-c1ccc2c(c1)OCCO2 ZINC000572845180 506066568 /nfs/dbraw/zinc/06/65/68/506066568.db2.gz HAXDVXAHWUIYCE-UHFFFAOYSA-N -1 3 353.422 3.097 20 0 FGADHM Cc1cccc(C(=O)NC[C@@H](O)COc2cccc(Cl)c2Cl)c1[O-] ZINC000303070200 498646587 /nfs/dbraw/zinc/64/65/87/498646587.db2.gz ZWSWVUGKQGZDDW-LLVKDONJSA-N -1 3 370.232 3.177 20 0 FGADHM CCOc1cc(CNC(C)(C)c2nc(C)no2)cc(Br)c1[O-] ZINC000298050830 498650247 /nfs/dbraw/zinc/65/02/47/498650247.db2.gz ITPBVNYUSVMRGS-UHFFFAOYSA-N -1 3 370.247 3.270 20 0 FGADHM Cc1ccc([C@@H](C)NC(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)cc1 ZINC000290699299 498650768 /nfs/dbraw/zinc/65/07/68/498650768.db2.gz NGUQAEDNSSLUOW-KGLIPLIRSA-N -1 3 371.403 3.156 20 0 FGADHM C[C@@H](c1nnc(SCc2ncccc2[O-])n1-c1ccc(F)cc1)N(C)C ZINC000572857482 506069487 /nfs/dbraw/zinc/06/94/87/506069487.db2.gz YBARYCQWICQGJE-LBPRGKRZSA-N -1 3 373.457 3.422 20 0 FGADHM O=C(NCCc1ccc(OCC(F)(F)F)nc1)c1cc([O-])ccc1Cl ZINC000290739137 498664146 /nfs/dbraw/zinc/66/41/46/498664146.db2.gz MPJQJVHINABFAS-UHFFFAOYSA-N -1 3 374.746 3.354 20 0 FGADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCC[C@H](c2nnc[nH]2)C1 ZINC000365911186 498696351 /nfs/dbraw/zinc/69/63/51/498696351.db2.gz FOGLJIDQRQSBMZ-AWEZNQCLSA-N -1 3 364.405 3.322 20 0 FGADHM CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000579023241 506076287 /nfs/dbraw/zinc/07/62/87/506076287.db2.gz LALLRCKYNFCUIY-JFIYKMOQSA-N -1 3 367.449 3.141 20 0 FGADHM CC(C)(C)C(=O)N[C@@H]1CCCN(C(=O)c2cc3c(cc2[O-])CCCC3)C1 ZINC000332517517 498709527 /nfs/dbraw/zinc/70/95/27/498709527.db2.gz KPJFGNLTCILDQD-MRXNPFEDSA-N -1 3 358.482 3.038 20 0 FGADHM CC(C)c1ccc([C@H](C)CC(=O)N2CCC[C@@H](c3nc(=O)[n-][nH]3)C2)cc1 ZINC000294518283 498716500 /nfs/dbraw/zinc/71/65/00/498716500.db2.gz UJNONPLPFKOOCI-RHSMWYFYSA-N -1 3 356.470 3.121 20 0 FGADHM C[C@H]1C[C@H]1C(=O)Nc1ccc(-c2nc(-c3ccc4n[n-]nc4c3)no2)cc1 ZINC000572908984 506081389 /nfs/dbraw/zinc/08/13/89/506081389.db2.gz MNFLKSAZXPWBIC-IINYFYTJSA-N -1 3 360.377 3.269 20 0 FGADHM CCC(CC)(CC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1)C(=O)[O-] ZINC000311884321 498754218 /nfs/dbraw/zinc/75/42/18/498754218.db2.gz CBOQQRWCCGPEMR-SFHVURJKSA-N -1 3 360.498 3.296 20 0 FGADHM CCOc1cc(CN[C@@H](C)c2cnn(C)c2C)cc(Br)c1[O-] ZINC000298391497 498754330 /nfs/dbraw/zinc/75/43/30/498754330.db2.gz GTVGWYJVWJVLJH-JTQLQIEISA-N -1 3 368.275 3.446 20 0 FGADHM Cc1cc(=O)[n-]c([C@H](C)N2CCC(c3nc4c(cccc4F)[nH]3)CC2)n1 ZINC000366079520 498765656 /nfs/dbraw/zinc/76/56/56/498765656.db2.gz UJTRVSISTTXEIH-LBPRGKRZSA-N -1 3 355.417 3.447 20 0 FGADHM Cc1cccc2c(=O)c(C(=O)N3CCC[C@@H]3[C@H]3CCCC[C@]3(C)O)c[n-]c12 ZINC000332796114 498795285 /nfs/dbraw/zinc/79/52/85/498795285.db2.gz QKHCBHUTARBCQL-HMFYCAOWSA-N -1 3 368.477 3.382 20 0 FGADHM O=S(=O)([N-]C1CCc2ccccc2CC1)c1cccnc1C(F)(F)F ZINC000581925648 506091315 /nfs/dbraw/zinc/09/13/15/506091315.db2.gz OBRZLIIAZHFGJZ-UHFFFAOYSA-N -1 3 370.396 3.326 20 0 FGADHM C[C@@H](CO)CCC[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000318709659 498799065 /nfs/dbraw/zinc/79/90/65/498799065.db2.gz QBMIOJVRVCTOHM-SECBINFHSA-N -1 3 359.797 3.046 20 0 FGADHM COC(=O)Cc1ccc(S(=O)(=O)[N-]c2c(C)cccc2Cl)cc1 ZINC000321631536 498814208 /nfs/dbraw/zinc/81/42/08/498814208.db2.gz TVYQTRSYKKLJDK-UHFFFAOYSA-N -1 3 353.827 3.165 20 0 FGADHM COc1cc(C=Cc2nc(-c3cc(=O)[n-]cn3)no2)ccc1OCC(C)C ZINC000573000066 506096837 /nfs/dbraw/zinc/09/68/37/506096837.db2.gz LGGVKRHYSQCVAH-FNORWQNLSA-N -1 3 368.393 3.446 20 0 FGADHM Cc1cccc2c(=O)c(C(=O)N3CCCN4c5ccccc5C[C@H]4C3)c[n-]c12 ZINC000332897672 498828149 /nfs/dbraw/zinc/82/81/49/498828149.db2.gz SPEQEWQUYURKDC-KRWDZBQOSA-N -1 3 373.456 3.114 20 0 FGADHM O=C([O-])[C@@]1(C(F)(F)F)CCN(Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000324431534 498829120 /nfs/dbraw/zinc/82/91/20/498829120.db2.gz BQABVMHKQUTEHM-GFCCVEGCSA-N -1 3 357.250 3.424 20 0 FGADHM CC[C@@H](OC1CCCCC1)C(=O)Nc1cc(C)ccc1[N-]S(C)(=O)=O ZINC000298655084 498840461 /nfs/dbraw/zinc/84/04/61/498840461.db2.gz SMFQNZVKTMBPNT-QGZVFWFLSA-N -1 3 368.499 3.433 20 0 FGADHM O=S(=O)(CC1CCCC1)[N-][C@@H](c1noc(C2CC2)n1)c1ccccc1 ZINC000366249701 498842309 /nfs/dbraw/zinc/84/23/09/498842309.db2.gz WGDKBZJYMIFSJJ-MRXNPFEDSA-N -1 3 361.467 3.146 20 0 FGADHM COC(=O)c1cc(S(=O)(=O)[N-]c2c(C)cccc2C(C)C)ccc1O ZINC000326536623 498844204 /nfs/dbraw/zinc/84/42/04/498844204.db2.gz YAVFHVXDBMFGQY-UHFFFAOYSA-N -1 3 363.435 3.411 20 0 FGADHM CSc1ccccc1NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000298670581 498845223 /nfs/dbraw/zinc/84/52/23/498845223.db2.gz NDMJKRSIMXYGOG-UHFFFAOYSA-N -1 3 371.462 3.104 20 0 FGADHM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1ccc2c(c1)NC(=O)CS2 ZINC000326601864 498845386 /nfs/dbraw/zinc/84/53/86/498845386.db2.gz KSKWOSMJGYVCTN-UHFFFAOYSA-N -1 3 366.439 3.288 20 0 FGADHM CCOC(=O)c1sc([N-]C(=O)c2cnc(COC)s2)nc1C(C)C ZINC000287734391 498851522 /nfs/dbraw/zinc/85/15/22/498851522.db2.gz OPOPGIFURQPOGH-UHFFFAOYSA-N -1 3 369.468 3.298 20 0 FGADHM C[C@H](c1nccs1)N1CCN(C(=O)c2cc3c(cc2[O-])CCCC3)CC1 ZINC000333009510 498868496 /nfs/dbraw/zinc/86/84/96/498868496.db2.gz AWWMSNBRRLUCGP-CQSZACIVSA-N -1 3 371.506 3.247 20 0 FGADHM O=C(N[C@@H]1C[C@@H]1C1CCCCC1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000333024183 498873224 /nfs/dbraw/zinc/87/32/24/498873224.db2.gz GAHPQMUINVZALA-KURKYZTESA-N -1 3 356.466 3.082 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)Cc3ncccc3F)c2)n1 ZINC000366330879 498875695 /nfs/dbraw/zinc/87/56/95/498875695.db2.gz TZTDCQAOJHFXGW-UHFFFAOYSA-N -1 3 352.369 3.127 20 0 FGADHM O=C(N[C@@H]1CC[C@@H]2CCCC[C@H]2C1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000333031428 498876134 /nfs/dbraw/zinc/87/61/34/498876134.db2.gz HNWKMBWFHSMHAU-BMFAXAFESA-N -1 3 370.493 3.472 20 0 FGADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCOC[C@H]1[C@H]1CCCO1 ZINC000333042684 498878438 /nfs/dbraw/zinc/87/84/38/498878438.db2.gz JTRYNAFADZCBAU-PZJWPPBQSA-N -1 3 367.445 3.003 20 0 FGADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCC(Sc2ccccn2)CC1 ZINC000363564466 498880691 /nfs/dbraw/zinc/88/06/91/498880691.db2.gz UQSUWUQOGAYWEU-UHFFFAOYSA-N -1 3 365.458 3.320 20 0 FGADHM O=C([O-])[C@@H](c1ccccc1F)N1CCC(OC[C@H]2CCCCO2)CC1 ZINC000570167804 506106299 /nfs/dbraw/zinc/10/62/99/506106299.db2.gz ABVJYPIVUAUHEB-CRAIPNDOSA-N -1 3 351.418 3.002 20 0 FGADHM O=C(Cc1ccc([O-])cc1Cl)N[C@@H]1CCCN(C2CCCCC2)C1=O ZINC000333075877 498891810 /nfs/dbraw/zinc/89/18/10/498891810.db2.gz LAOIGBCMNHNKMI-QGZVFWFLSA-N -1 3 364.873 3.028 20 0 FGADHM CN(Cc1c(F)ccc([O-])c1F)C1CCN(C(=O)c2ccccc2)CC1 ZINC000295064446 498897095 /nfs/dbraw/zinc/89/70/95/498897095.db2.gz AFHPGYIJDXPGOZ-UHFFFAOYSA-N -1 3 360.404 3.407 20 0 FGADHM CC1(C)Cc2ccc(C(=O)N3CCCCC[C@H]3c3ncon3)c([O-])c2O1 ZINC000333108376 498901134 /nfs/dbraw/zinc/90/11/34/498901134.db2.gz WWKCYXJTTLCWLI-AWEZNQCLSA-N -1 3 357.410 3.246 20 0 FGADHM CC(C)C(=O)c1ccc([C@H](C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000283514037 498909953 /nfs/dbraw/zinc/90/99/53/498909953.db2.gz QBWRCRXOERYJGK-ZDUSSCGKSA-N -1 3 363.421 3.448 20 0 FGADHM CC(C)C(=O)c1ccc([C@H](C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000283514037 498909962 /nfs/dbraw/zinc/90/99/62/498909962.db2.gz QBWRCRXOERYJGK-ZDUSSCGKSA-N -1 3 363.421 3.448 20 0 FGADHM C[C@@H]1CCN(CC(=O)N[C@H](c2ccccc2)C2CCCC2)C[C@H]1C(=O)[O-] ZINC000582003175 506111095 /nfs/dbraw/zinc/11/10/95/506111095.db2.gz YGUVICNRESHPHV-XFQXTVEOSA-N -1 3 358.482 3.077 20 0 FGADHM C[C@H]1CCC[C@H](OCC(=O)N=c2nc(-c3ccccc3Cl)[n-]n2C)C1 ZINC000579183177 506111694 /nfs/dbraw/zinc/11/16/94/506111694.db2.gz FWEQUIGYAFELMV-STQMWFEESA-N -1 3 362.861 3.091 20 0 FGADHM CCOc1cc(C(=O)[N-]c2cc(Cl)ccc2O[C@@H](C)COC)on1 ZINC000295209430 498944041 /nfs/dbraw/zinc/94/40/41/498944041.db2.gz LXYUWVDCTAWJKU-JTQLQIEISA-N -1 3 354.790 3.393 20 0 FGADHM Cc1cc(C)c(C(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)cc1Br ZINC000579196224 506115692 /nfs/dbraw/zinc/11/56/92/506115692.db2.gz UEJVRNZWVHXNPT-CQSZACIVSA-N -1 3 364.243 3.315 20 0 FGADHM COCCc1ccc(S(=O)(=O)[N-]c2ccc([C@@H]3CCOC3)cc2)cc1 ZINC000295225295 498947865 /nfs/dbraw/zinc/94/78/65/498947865.db2.gz RUPOSJBXPFUTRK-QGZVFWFLSA-N -1 3 361.463 3.180 20 0 FGADHM CCc1cc(C(=O)NCc2ccc(CN3CCCC3=O)cc2)ccc1[O-] ZINC000291455052 498947791 /nfs/dbraw/zinc/94/77/91/498947791.db2.gz KCWDJYLKKBMLDB-UHFFFAOYSA-N -1 3 352.434 3.007 20 0 FGADHM [O-]c1cc(CN2CC[C@H](C(F)(F)F)[C@@H](CO)C2)cc(C(F)(F)F)c1 ZINC000291462588 498950537 /nfs/dbraw/zinc/95/05/37/498950537.db2.gz DEVHWBVVBOXCNB-MFKMUULPSA-N -1 3 357.294 3.404 20 0 FGADHM C[C@H]1CCCc2nc(S(=O)(=O)[N-]C[C@@H]3CCCCC(F)(F)C3)cn21 ZINC000333249599 498953084 /nfs/dbraw/zinc/95/30/84/498953084.db2.gz CGAZZHAAUFUROG-QWHCGFSZSA-N -1 3 361.458 3.274 20 0 FGADHM CC[C@H](Sc1ccccc1)C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C ZINC000291520747 498975716 /nfs/dbraw/zinc/97/57/16/498975716.db2.gz JOKVSZVMBHHIIG-KRWDZBQOSA-N -1 3 371.462 3.092 20 0 FGADHM CC(C)c1ccc(C(=O)N2CCn3c(Br)cnc3C2)c([O-])c1 ZINC000283788036 498982905 /nfs/dbraw/zinc/98/29/05/498982905.db2.gz ORVBDXVUZSUDPS-UHFFFAOYSA-N -1 3 364.243 3.131 20 0 FGADHM Cc1ccc2[n-]cc(C(=O)N3CC4(CCOCC4)[C@@H]4CCC[C@@H]43)c(=O)c2c1 ZINC000333377338 498995937 /nfs/dbraw/zinc/99/59/37/498995937.db2.gz AJQVITKKIIZYKA-MJGOQNOKSA-N -1 3 366.461 3.258 20 0 FGADHM CCc1cc(C(=O)N(CC)Cc2ccc(C(=O)N(C)C)cc2)ccc1[O-] ZINC000291579481 498999528 /nfs/dbraw/zinc/99/95/28/498999528.db2.gz UQRBWAHZXGVZTL-UHFFFAOYSA-N -1 3 354.450 3.319 20 0 FGADHM CC[C@@H]([N-]S(=O)(=O)CCOCc1ccccc1)c1nc(C)cs1 ZINC000295384165 499000395 /nfs/dbraw/zinc/00/03/95/499000395.db2.gz AVIANLPKNGHJNC-OAHLLOKOSA-N -1 3 354.497 3.039 20 0 FGADHM C[C@@H]1CN(Cc2nc(=O)c3cc(-c4ccccc4)sc3[n-]2)CCC1=O ZINC000299311847 499021274 /nfs/dbraw/zinc/02/12/74/499021274.db2.gz NLVOCJPTQJMVEM-GFCCVEGCSA-N -1 3 353.447 3.475 20 0 FGADHM Brc1cncc(-c2noc(-c3n[n-]nc3-c3ccccc3)n2)c1 ZINC000576311624 506127361 /nfs/dbraw/zinc/12/73/61/506127361.db2.gz RHMINMHQDITKCX-UHFFFAOYSA-N -1 3 369.182 3.346 20 0 FGADHM Cc1cn2c(n1)[C@@H](C[N-]S(=O)(=O)c1cccc(Cl)c1Cl)CCC2 ZINC000366699903 499039436 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CC(C)n1nccc1[C@H]1OCC[C@@H]1[N-]C(=O)C(F)(F)c1ccccc1F ZINC000284397577 499100902 /nfs/dbraw/zinc/10/09/02/499100902.db2.gz BXNHJPWOUUIVJQ-HOCLYGCPSA-N -1 3 367.371 3.341 20 0 FGADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CC[C@](F)(c2ccccc2F)C1 ZINC000367237396 499166383 /nfs/dbraw/zinc/16/63/83/499166383.db2.gz KXKKYAIPCPSVMR-HXUWFJFHSA-N -1 3 354.356 3.378 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)N1CCC(C(=O)c2cccs2)CC1 ZINC000370078048 499175897 /nfs/dbraw/zinc/17/58/97/499175897.db2.gz PZBXJSWNNVBGRL-UHFFFAOYSA-N -1 3 362.426 3.397 20 0 FGADHM O=c1cc(CN2CCC(n3cc(Cl)cn3)CC2)c2ccc([O-])cc2o1 ZINC000367997418 499253504 /nfs/dbraw/zinc/25/35/04/499253504.db2.gz FQNQXDBHRUPRLX-UHFFFAOYSA-N -1 3 359.813 3.186 20 0 FGADHM COc1nc(C(=O)N=c2[nH][n-]c(-c3ccncc3)c2C)cc2ccccc21 ZINC000370797451 499255279 /nfs/dbraw/zinc/25/52/79/499255279.db2.gz WRANHRDBNVAEIS-UHFFFAOYSA-N -1 3 359.389 3.011 20 0 FGADHM COc1ccc([O-])c(C(=O)N2CCC3(C[C@@H]3c3nnc(C(C)C)o3)CC2)c1 ZINC000370840906 499261072 /nfs/dbraw/zinc/26/10/72/499261072.db2.gz XXCRAFKPCWTCGE-OAHLLOKOSA-N -1 3 371.437 3.317 20 0 FGADHM O=C(c1ccc2n[n-]nc2c1)N1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000370940424 499272480 /nfs/dbraw/zinc/27/24/80/499272480.db2.gz ZUPMUJKBRBVTPG-LBPRGKRZSA-N -1 3 365.368 3.258 20 0 FGADHM O=C(c1cc(OCc2ccccc2)ccc1[O-])N1CC[C@H](n2cccn2)C1 ZINC000368288715 499282125 /nfs/dbraw/zinc/28/21/25/499282125.db2.gz QIJNRZSEFZDYOE-KRWDZBQOSA-N -1 3 363.417 3.255 20 0 FGADHM Cn1ccnc1-c1nnc([N-]C(=O)c2cc(F)c(F)cc2Cl)s1 ZINC000371073767 499286374 /nfs/dbraw/zinc/28/63/74/499286374.db2.gz FRGZZDZLZPENET-UHFFFAOYSA-N -1 3 355.757 3.123 20 0 FGADHM COC(=O)C[C@@H]1CN(C(=O)c2c[n-]nc2-c2ccccc2)c2ccccc21 ZINC000368355186 499288458 /nfs/dbraw/zinc/28/84/58/499288458.db2.gz VBLYHYLWQCIGSW-OAHLLOKOSA-N -1 3 361.401 3.384 20 0 FGADHM COc1ccc(C(=O)N2CC=C(c3ccc(OC)c(OC)c3)CC2)c([O-])c1 ZINC000371466372 499330597 /nfs/dbraw/zinc/33/05/97/499330597.db2.gz OBRRHOZEAVISKZ-UHFFFAOYSA-N -1 3 369.417 3.348 20 0 FGADHM Cc1cccc2c1[n-]cc(C(=O)N1CCC(c3cccc(N)c3)CC1)c2=O ZINC000570331170 506143335 /nfs/dbraw/zinc/14/33/35/506143335.db2.gz YOHLWOGXJHXRQH-UHFFFAOYSA-N -1 3 361.445 3.439 20 0 FGADHM CCn1cc(C=Cc2nc3c(c(=O)[n-]2)CN(Cc2ccccc2)CC3)cn1 ZINC000369196179 499376362 /nfs/dbraw/zinc/37/63/62/499376362.db2.gz LDIZYYFADCZYPI-CMDGGOBGSA-N -1 3 361.449 3.127 20 0 FGADHM C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1cc([O-])ccc1Cl ZINC000369347924 499394288 /nfs/dbraw/zinc/39/42/88/499394288.db2.gz YSUSDHLAOINEHA-LBPRGKRZSA-N -1 3 356.813 3.460 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N3CCC[C@@H]3c3nccs3)c[n-]c12 ZINC000372193385 499407472 /nfs/dbraw/zinc/40/74/72/499407472.db2.gz PVISODLPYHGNPP-CQSZACIVSA-N -1 3 357.410 3.409 20 0 FGADHM COc1cc(C(=O)N(OC)[C@H]2CCCOc3ccccc32)cc(OC)c1[O-] ZINC000372335588 499422312 /nfs/dbraw/zinc/42/23/12/499422312.db2.gz YJPIZLGVWKNYQN-HNNXBMFYSA-N -1 3 373.405 3.327 20 0 FGADHM Cc1ccc(-c2cc(C(=O)N3C[C@H](C)C(=O)N(C)c4ccccc43)n[n-]2)o1 ZINC000369627236 499428162 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FGADHM O=S(=O)([N-][C@@H]1CCCSC1)c1c(Cl)cccc1Br ZINC000380923603 499544239 /nfs/dbraw/zinc/54/42/39/499544239.db2.gz CMLFGBGDSIAFOZ-MRVPVSSYSA-N -1 3 370.721 3.276 20 0 FGADHM Cn1ccnc1[C@@H]1CCCN(Cc2cc(=O)oc3cc([O-])c(Cl)cc23)C1 ZINC000375706672 499547687 /nfs/dbraw/zinc/54/76/87/499547687.db2.gz UEOKJTYVXINQBR-GFCCVEGCSA-N -1 3 373.840 3.265 20 0 FGADHM Cc1nc([C@@H]2CCCCN2Cc2cc(=O)oc3c(C)c([O-])ccc23)no1 ZINC000375766058 499553483 /nfs/dbraw/zinc/55/34/83/499553483.db2.gz SOMGPQXTQXLORD-HNNXBMFYSA-N -1 3 355.394 3.226 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCN(Cc3ccccc3)C2)c(F)c1 ZINC000404917447 499570396 /nfs/dbraw/zinc/57/03/96/499570396.db2.gz FVNJTCAODIPOMU-QGZVFWFLSA-N -1 3 362.470 3.077 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCCO3)c(F)c1 ZINC000404892534 499570421 /nfs/dbraw/zinc/57/04/21/499570421.db2.gz CECKFVCWUQJMPC-UHFFFAOYSA-N -1 3 357.790 3.360 20 0 FGADHM CC1(C)CN(C(=O)C2CC2)CCN1C(=O)c1cc([O-])c2ccccc2c1 ZINC000408289234 499583359 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CC(C)[C@@H]1CCCC[C@@H]1NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436528325 501148058 /nfs/dbraw/zinc/14/80/58/501148058.db2.gz NUMNHQRCRRNMAR-WMZOPIPTSA-N -1 3 373.497 3.074 20 0 FGADHM CCCc1ccc([C@H](C)N(CC(N)=O)C(=O)c2cccc(C)c2[O-])cc1 ZINC000436549930 501154295 /nfs/dbraw/zinc/15/42/95/501154295.db2.gz RNNLARBKLUKUOU-HNNXBMFYSA-N -1 3 354.450 3.342 20 0 FGADHM Cc1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)NC3CC3)c2)c([O-])c1C ZINC000436564773 501157914 /nfs/dbraw/zinc/15/79/14/501157914.db2.gz SRDGUYAGJBQZLJ-UHFFFAOYSA-N -1 3 374.462 3.010 20 0 FGADHM CCOC(=O)C(C)(C)NC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436566643 501158442 /nfs/dbraw/zinc/15/84/42/501158442.db2.gz WXJXLYRXZPHXCS-UHFFFAOYSA-N -1 3 357.406 3.043 20 0 FGADHM CC(=O)c1ccc(C(=O)NCC(C)(C)N2CCc3ccccc3C2)cc1[O-] ZINC000436618164 501171150 /nfs/dbraw/zinc/17/11/50/501171150.db2.gz QGVJALIQIQFMIG-UHFFFAOYSA-N -1 3 366.461 3.162 20 0 FGADHM CCOc1cc2c(cc1OCC)CN(C(=O)c1c([O-])cccc1O)CC2 ZINC000436622280 501171931 /nfs/dbraw/zinc/17/19/31/501171931.db2.gz BZNZWZXUEQEZCJ-UHFFFAOYSA-N -1 3 357.406 3.094 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N2CCC[C@@]3(CC=CCC3)C2)c([O-])c1 ZINC000436640012 501176204 /nfs/dbraw/zinc/17/62/04/501176204.db2.gz SPCIGRNLOHPLHN-NRFANRHFSA-N -1 3 356.466 3.169 20 0 FGADHM C[C@@H]1CCc2c(C(=O)NCCCNC(=O)c3cccc([O-])c3)csc2C1 ZINC000588218920 506238800 /nfs/dbraw/zinc/23/88/00/506238800.db2.gz TXIKQLPNQAQJPS-CYBMUJFWSA-N -1 3 372.490 3.128 20 0 FGADHM CC(=O)c1ccc(C(=O)N2CC[C@H](COCc3ccccc3)C2)cc1[O-] ZINC000436653032 501180032 /nfs/dbraw/zinc/18/00/32/501180032.db2.gz BXSCOQLWNRZAER-KRWDZBQOSA-N -1 3 353.418 3.274 20 0 FGADHM COc1ccc(-c2nnc(NC(=O)c3ccc(C(C)=O)c([O-])c3)s2)cc1 ZINC000436666400 501182662 /nfs/dbraw/zinc/18/26/62/501182662.db2.gz SZQQNHZYDGRYEN-UHFFFAOYSA-N -1 3 369.402 3.374 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)NCC(C)(C)c2ccccc2F)c([O-])c1 ZINC000436666828 501183020 /nfs/dbraw/zinc/18/30/20/501183020.db2.gz RGJUGGSPXOVNKU-UHFFFAOYSA-N -1 3 372.440 3.054 20 0 FGADHM COC(=O)c1cc(S(=O)(=O)[N-]c2c(Cl)ccc(C)c2C)c(C)o1 ZINC000446951522 501185582 /nfs/dbraw/zinc/18/55/82/501185582.db2.gz VTSRXENLBOJTGV-UHFFFAOYSA-N -1 3 357.815 3.446 20 0 FGADHM Cc1ccc([C@@H](CNC(=O)c2ccc(C)c(C)c2[O-])N2CCOCC2)cc1 ZINC000436686024 501188972 /nfs/dbraw/zinc/18/89/72/501188972.db2.gz FIOLJMRYLHWPAO-HXUWFJFHSA-N -1 3 368.477 3.121 20 0 FGADHM C[C@H](NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2)c1ccc2n[nH]cc2c1 ZINC000436694277 501189382 /nfs/dbraw/zinc/18/93/82/501189382.db2.gz AEVZELAPFGADJZ-NSHDSACASA-N -1 3 351.406 3.473 20 0 FGADHM Cn1cc(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)nn1 ZINC000436705336 501192166 /nfs/dbraw/zinc/19/21/66/501192166.db2.gz MRCPVRRRWJCFKC-UHFFFAOYSA-N -1 3 351.391 3.050 20 0 FGADHM COC1(c2ccccc2)CN(C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)C1 ZINC000436715540 501195306 /nfs/dbraw/zinc/19/53/06/501195306.db2.gz XKWPZTBPEGMHDR-UHFFFAOYSA-N -1 3 353.418 3.103 20 0 FGADHM Cc1ccc(C(=O)N[C@H](CCO)c2ccccc2Br)c([O-])c1 ZINC000436720407 501196641 /nfs/dbraw/zinc/19/66/41/501196641.db2.gz JMRXHENXNUVUOQ-OAHLLOKOSA-N -1 3 364.239 3.317 20 0 FGADHM COc1cc(NC(=O)c2cc(C)cc(OC)c2[O-])ncc1Br ZINC000436733473 501199925 /nfs/dbraw/zinc/19/99/25/501199925.db2.gz XMHRAZJEBNHDHH-UHFFFAOYSA-N -1 3 367.199 3.128 20 0 FGADHM COc1ccc([C@H](CN(C)C)NC(=O)c2cc(F)c([O-])c(Cl)c2)cc1 ZINC000436738328 501201612 /nfs/dbraw/zinc/20/16/12/501201612.db2.gz SUZGBSVGJDYATJ-INIZCTEOSA-N -1 3 366.820 3.226 20 0 FGADHM CCC[C@@H](C)[C@H]1CCCN1C(=O)C(=O)[N-]c1sccc1C(=O)OCC ZINC000442168439 501203951 /nfs/dbraw/zinc/20/39/51/501203951.db2.gz QJKCXUGUCXZYFL-TZMCWYRMSA-N -1 3 366.483 3.291 20 0 FGADHM O=C(NC1CCN(CCc2ccccc2)CC1)c1ccc(Cl)cc1[O-] ZINC000436763290 501206909 /nfs/dbraw/zinc/20/69/09/501206909.db2.gz WRRQBMPHDXXCST-UHFFFAOYSA-N -1 3 358.869 3.483 20 0 FGADHM CCc1nn(C)cc1CNC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436763205 501206925 /nfs/dbraw/zinc/20/69/25/501206925.db2.gz FZUALNSXUIEOQL-UHFFFAOYSA-N -1 3 365.433 3.197 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H]([C@H](CO)C3CC3)C3CC3)nc2)n1 ZINC000450782616 501208166 /nfs/dbraw/zinc/20/81/66/501208166.db2.gz VKLKWGLNJWCJCH-APWZRJJASA-N -1 3 354.454 3.016 20 0 FGADHM C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1cc(Cl)cc(Br)c1[O-] ZINC000436776090 501209541 /nfs/dbraw/zinc/20/95/41/501209541.db2.gz ZFTVFIYZNZLQGG-ISVAXAHUSA-N -1 3 373.678 3.021 20 0 FGADHM Cc1c2ccccc2oc1C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436773516 501209559 /nfs/dbraw/zinc/20/95/59/501209559.db2.gz PMXVXUVIKKQSPM-UHFFFAOYSA-N -1 3 364.401 3.045 20 0 FGADHM COc1ccc2ccccc2c1CNC(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000436781175 501210974 /nfs/dbraw/zinc/21/09/74/501210974.db2.gz IXXJAXZIECTMLU-UHFFFAOYSA-N -1 3 364.401 3.442 20 0 FGADHM CCCCOc1ccc(C(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@@H](C)C2)c([O-])c1 ZINC000436791472 501212073 /nfs/dbraw/zinc/21/20/73/501212073.db2.gz JQCPGPLGGRKIIU-JTDSTZFVSA-N -1 3 360.498 3.373 20 0 FGADHM C[C@H](NC(=O)c1cc(Cc2ccccc2)ccc1[O-])C(=O)N1CCCCC1 ZINC000436793635 501212801 /nfs/dbraw/zinc/21/28/01/501212801.db2.gz RUXGCVXTSVFNSP-INIZCTEOSA-N -1 3 366.461 3.114 20 0 FGADHM CCc1ccc([O-])c(C(=O)NCc2cccc(C(=O)N[C@H](C)CC)c2)c1 ZINC000436809070 501214762 /nfs/dbraw/zinc/21/47/62/501214762.db2.gz RPVSVKSAZJNVMM-CQSZACIVSA-N -1 3 354.450 3.413 20 0 FGADHM CC[C@@H]1Cc2ccccc2CN1C(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC000436818310 501215829 /nfs/dbraw/zinc/21/58/29/501215829.db2.gz KGLMCAPWEIWXJM-GOSISDBHSA-N -1 3 366.461 3.184 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N[C@@H](C)CCCC(F)(F)F)c([O-])c1 ZINC000436821942 501216353 /nfs/dbraw/zinc/21/63/53/501216353.db2.gz NAFBRJXOODBXJD-LBPRGKRZSA-N -1 3 360.376 3.058 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C)CC(F)(F)F)c1 ZINC000436822069 501216893 /nfs/dbraw/zinc/21/68/93/501216893.db2.gz ZZBQBAKCNCWZSO-QMMMGPOBSA-N -1 3 371.315 3.012 20 0 FGADHM CCc1ccc(C(=O)N(C)[C@H]2CCCN(c3ccccc3)C2=O)c([O-])c1 ZINC000436835892 501218989 /nfs/dbraw/zinc/21/89/89/501218989.db2.gz XRFIUGHWEPJRSC-SFHVURJKSA-N -1 3 352.434 3.222 20 0 FGADHM COc1ccc(C2(CNC(=O)c3cc(NC(C)=O)ccc3[O-])CCC2)cc1 ZINC000436838678 501219614 /nfs/dbraw/zinc/21/96/14/501219614.db2.gz NDNPLQVMQBXCHP-UHFFFAOYSA-N -1 3 368.433 3.211 20 0 FGADHM COc1cccc(C(=O)N[C@@H](C)c2nc(-c3ccc(C)c(F)c3)no2)c1[O-] ZINC000436880689 501226651 /nfs/dbraw/zinc/22/66/51/501226651.db2.gz KWNLDHFGUMEFHJ-NSHDSACASA-N -1 3 371.368 3.389 20 0 FGADHM COc1cccc([C@@H]2[C@H](NC(=O)c3ccccc3[O-])CCN2C2CC2)c1 ZINC000436887845 501228206 /nfs/dbraw/zinc/22/82/06/501228206.db2.gz LEGKKEZRXLCUTB-UYAOXDASSA-N -1 3 352.434 3.109 20 0 FGADHM O=c1[n-]nc(C2CCN(CCCc3ccccc3Br)CC2)o1 ZINC000450919376 501230034 /nfs/dbraw/zinc/23/00/34/501230034.db2.gz OEPXBSOXNUCNDZ-UHFFFAOYSA-N -1 3 366.259 3.350 20 0 FGADHM O=C(N[C@@H]1C[C@H]1c1ccc(Br)s1)c1ccc(O)cc1[O-] ZINC000436906660 501230575 /nfs/dbraw/zinc/23/05/75/501230575.db2.gz DSYVDFUAUNDSNB-NXEZZACHSA-N -1 3 354.225 3.208 20 0 FGADHM Cc1nnc(CCNC(=O)c2cc(Oc3ccccc3)ccc2[O-])s1 ZINC000436924648 501233663 /nfs/dbraw/zinc/23/36/63/501233663.db2.gz DIACMSXUPMTVBM-UHFFFAOYSA-N -1 3 355.419 3.317 20 0 FGADHM CO[C@H](C)CS(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000450969090 501235778 /nfs/dbraw/zinc/23/57/78/501235778.db2.gz KVNZMCMOPJOYNJ-LLVKDONJSA-N -1 3 366.405 3.082 20 0 FGADHM Cc1csc(S(=O)(=O)[N-][C@H](CN2CCCC2)c2ccccc2)c1 ZINC000451028438 501240459 /nfs/dbraw/zinc/24/04/59/501240459.db2.gz YXMHPMGSDSRGHC-MRXNPFEDSA-N -1 3 350.509 3.172 20 0 FGADHM COC(=O)[C@@H](C)[C@@H]([N-]S(=O)(=O)c1sccc1Cl)c1ccccc1 ZINC000451280923 501257142 /nfs/dbraw/zinc/25/71/42/501257142.db2.gz WXXOPFNERMEVGI-GXFFZTMASA-N -1 3 373.883 3.230 20 0 FGADHM CN(CCN1CCOC(C)(C)C1)C(=O)CCc1ccc2ccccc2c1[O-] ZINC000451285844 501257483 /nfs/dbraw/zinc/25/74/83/501257483.db2.gz NWRBMMDCQVWQHN-UHFFFAOYSA-N -1 3 370.493 3.047 20 0 FGADHM CO[C@H](CC[N-]S(=O)(=O)c1ccc2ccccc2c1F)C(F)(F)F ZINC000451445454 501294408 /nfs/dbraw/zinc/29/44/08/501294408.db2.gz LXNNSSLNSGVITF-CYBMUJFWSA-N -1 3 365.348 3.225 20 0 FGADHM Cc1ccc(C(=O)NCCc2nc(Cc3cc(C)ccc3F)no2)c([O-])c1 ZINC000453277525 501305956 /nfs/dbraw/zinc/30/59/56/501305956.db2.gz DGMIEHUEPSMNQA-UHFFFAOYSA-N -1 3 369.396 3.094 20 0 FGADHM Cc1csc(S(=O)(=O)[N-][C@H](C)c2ccc(Br)cn2)c1 ZINC000451499282 501307060 /nfs/dbraw/zinc/30/70/60/501307060.db2.gz XFTDBWHCOVQGNW-SECBINFHSA-N -1 3 361.286 3.254 20 0 FGADHM CC(C)[C@H]([N-]S(=O)(=O)c1csc(-c2ccccc2)n1)c1ncc[nH]1 ZINC000451545942 501319444 /nfs/dbraw/zinc/31/94/44/501319444.db2.gz IBDGTOPYWWVPBD-AWEZNQCLSA-N -1 3 362.480 3.209 20 0 FGADHM COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)[N-]CC1=CCCCC1 ZINC000451631649 501340550 /nfs/dbraw/zinc/34/05/50/501340550.db2.gz JKNZTEMRPUOXIV-UHFFFAOYSA-N -1 3 372.874 3.086 20 0 FGADHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-][C@H](C)c1ccc(C)c(F)c1 ZINC000451648796 501344008 /nfs/dbraw/zinc/34/40/08/501344008.db2.gz QEUMSJUTBDIFCQ-SNVBAGLBSA-N -1 3 369.414 3.170 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)c1c(Cl)ccc2ccccc21)[C@H](O)C(F)F ZINC000451713281 501358230 /nfs/dbraw/zinc/35/82/30/501358230.db2.gz OGFLKIOVKOMMCO-STQMWFEESA-N -1 3 363.813 3.176 20 0 FGADHM CN(C(=O)c1ccc([N-]S(C)(=O)=O)cc1)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000458086523 501369839 /nfs/dbraw/zinc/36/98/39/501369839.db2.gz KZUAETHAHQJZNH-MOPGFXCFSA-N -1 3 372.490 3.466 20 0 FGADHM CC[C@@](C)(C[N-]S(=O)(=O)c1ccc(OC)c(Cl)c1Cl)OC ZINC000451796470 501373518 /nfs/dbraw/zinc/37/35/18/501373518.db2.gz LSMSYLYEZIYSDI-ZDUSSCGKSA-N -1 3 356.271 3.095 20 0 FGADHM COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H]1C[C@H]1C1CC1 ZINC000452042054 501423782 /nfs/dbraw/zinc/42/37/82/501423782.db2.gz BLYNHFLTHNLDQU-ZFWWWQNUSA-N -1 3 373.902 3.080 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-][C@@H](c2cccs2)C2(CO)CCC2)c(F)c1 ZINC000452080985 501430692 /nfs/dbraw/zinc/43/06/92/501430692.db2.gz HOSDOMICYGUTPV-INIZCTEOSA-N -1 3 369.483 3.378 20 0 FGADHM C[C@@H](c1ccc(C(=O)N2CCc3nc[n-]c(=O)c3C2)cc1)C(F)(F)F ZINC000455998571 501434517 /nfs/dbraw/zinc/43/45/17/501434517.db2.gz PQOPQCUAJGOSJH-JTQLQIEISA-N -1 3 351.328 3.047 20 0 FGADHM COc1cc(F)c(S(=O)(=O)[N-][C@@H](C)c2cccc(C)c2)cc1OC ZINC000452106722 501436436 /nfs/dbraw/zinc/43/64/36/501436436.db2.gz REMTXBWVOYDJNK-LBPRGKRZSA-N -1 3 353.415 3.191 20 0 FGADHM C[C@H]1CN(c2ccc(Cl)c(F)c2)CCN1C(=O)c1c([O-])cccc1O ZINC000452129996 501442580 /nfs/dbraw/zinc/44/25/80/501442580.db2.gz XHRQTMRYCINOGT-NSHDSACASA-N -1 3 364.804 3.241 20 0 FGADHM CN(C)C(=O)C1(NC(=O)CCc2ccc3ccccc3c2[O-])CCCCC1 ZINC000456087619 501452085 /nfs/dbraw/zinc/45/20/85/501452085.db2.gz JPENVQJWEVYJGP-UHFFFAOYSA-N -1 3 368.477 3.385 20 0 FGADHM Cc1ccc(CNC(=O)NCc2ccc([O-])c(Br)c2)nc1C ZINC000458553201 501472659 /nfs/dbraw/zinc/47/26/59/501472659.db2.gz NJTGYQHGNMOEPU-UHFFFAOYSA-N -1 3 364.243 3.166 20 0 FGADHM Cc1nc(-c2ccc(NC(=O)NCCC[C@@H]3CCOC3)cc2)cc(=O)[n-]1 ZINC000454321498 501513209 /nfs/dbraw/zinc/51/32/09/501513209.db2.gz FVUXCYXYCPKRLR-CQSZACIVSA-N -1 3 356.426 3.096 20 0 FGADHM O=C(c1cc2c(cc1[O-])CCCC2)N1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000452505742 501515788 /nfs/dbraw/zinc/51/57/88/501515788.db2.gz SHMNHYPCIJLYKL-UGKGYDQZSA-N -1 3 369.436 3.211 20 0 FGADHM C[C@@]12CN(C(=O)Cc3ccc(Br)cc3[O-])C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000452589336 501528386 /nfs/dbraw/zinc/52/83/86/501528386.db2.gz ITXOMJXQXOHYJN-YMXNGHFFSA-N -1 3 362.267 3.368 20 0 FGADHM COc1cc(C(=O)N[C@@H]2CCO[C@@H](c3cccs3)C2)cc(OC)c1[O-] ZINC000456531176 501543101 /nfs/dbraw/zinc/54/31/01/501543101.db2.gz JGUNRCJEFLVRSL-CHWSQXEVSA-N -1 3 363.435 3.121 20 0 FGADHM CC(C)Oc1cccc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])c1 ZINC000452683848 501544443 /nfs/dbraw/zinc/54/44/43/501544443.db2.gz KYZNJTPWETURQU-GOSISDBHSA-N -1 3 368.433 3.423 20 0 FGADHM Cc1nc2cc(NC(=O)c3ccc(C)c(C)c3[O-])ccc2n1[C@H](C)CO ZINC000456705655 501582135 /nfs/dbraw/zinc/58/21/35/501582135.db2.gz IIYAJAXLASYYHI-GFCCVEGCSA-N -1 3 353.422 3.473 20 0 FGADHM O=C(NCCC[C@@H]1CCOC1)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000456763343 501594550 /nfs/dbraw/zinc/59/45/50/501594550.db2.gz LUOOGMUOKMMLML-OAHLLOKOSA-N -1 3 353.418 3.170 20 0 FGADHM [O-]c1ccc(Cc2nc(-c3cccc(CN4CCOCC4)c3)no2)cc1F ZINC000453024062 501603537 /nfs/dbraw/zinc/60/35/37/501603537.db2.gz KFWPCLCWTNVBJZ-UHFFFAOYSA-N -1 3 369.396 3.004 20 0 FGADHM CCOC(=O)C[C@@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1ccncc1 ZINC000456927279 501620684 /nfs/dbraw/zinc/62/06/84/501620684.db2.gz TWQCHLIGDJUJEH-QGZVFWFLSA-N -1 3 374.412 3.060 20 0 FGADHM COC(=O)[C@@H]1CN(C(=O)c2ccc(C)c(C)c2[O-])C[C@@H]1c1ccccc1 ZINC000456948143 501624389 /nfs/dbraw/zinc/62/43/89/501624389.db2.gz MNXMTIXKFVZAIM-QZTJIDSGSA-N -1 3 353.418 3.038 20 0 FGADHM COc1ccc(OC)c(CN(Cc2cc(=O)[n-]c(C3CC3)n2)C2CC2)c1 ZINC000459305255 501627732 /nfs/dbraw/zinc/62/77/32/501627732.db2.gz VCDMAKZLZVJLQB-UHFFFAOYSA-N -1 3 355.438 3.241 20 0 FGADHM Cc1csc([C@H]2CN(Cc3cc(=O)[n-]c(-c4ccccc4)n3)CCO2)n1 ZINC000459331438 501632866 /nfs/dbraw/zinc/63/28/66/501632866.db2.gz VDTBPITWQYQXJR-MRXNPFEDSA-N -1 3 368.462 3.188 20 0 FGADHM [O-]c1cccc(CN2CCC(Cn3cccn3)CC2)c1Br ZINC000459334985 501633052 /nfs/dbraw/zinc/63/30/52/501633052.db2.gz NBFCBLGAEGWFEZ-UHFFFAOYSA-N -1 3 350.260 3.263 20 0 FGADHM O=C1CCCCN1C1CCN(Cc2cccc([O-])c2Br)CC1 ZINC000459376004 501642476 /nfs/dbraw/zinc/64/24/76/501642476.db2.gz NFAQBPXJTJFIFY-UHFFFAOYSA-N -1 3 367.287 3.132 20 0 FGADHM CC1(C)CN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])[C@@H]2COC[C@@H]21 ZINC000457063441 501643340 /nfs/dbraw/zinc/64/33/40/501643340.db2.gz BPZDQRJXLACIEY-RBUKOAKNSA-N -1 3 351.446 3.480 20 0 FGADHM [O-]c1cccc(CNC[C@H](CCO)c2ccccc2)c1Br ZINC000459437167 501654227 /nfs/dbraw/zinc/65/42/27/501654227.db2.gz RAMPWDGNCIAPEW-AWEZNQCLSA-N -1 3 350.256 3.411 20 0 FGADHM [O-]c1cccc(CN[C@@H]2CCO[C@@]3(CCSC3)C2)c1Br ZINC000459456214 501657046 /nfs/dbraw/zinc/65/70/46/501657046.db2.gz ZIUXLPWUYCWKSY-DOMZBBRYSA-N -1 3 358.301 3.299 20 0 FGADHM CC(C)[C@@H]1N(C(=O)c2ccc([N-]S(C)(=O)=O)cc2)CC12CCCC2 ZINC000457157843 501659733 /nfs/dbraw/zinc/65/97/33/501659733.db2.gz DKHOWYHMLDOCKC-INIZCTEOSA-N -1 3 350.484 3.099 20 0 FGADHM CCCNC(=O)C1(NCc2cccc([O-])c2Br)CCCCC1 ZINC000459485960 501662145 /nfs/dbraw/zinc/66/21/45/501662145.db2.gz VTKCJAULJFZOIX-UHFFFAOYSA-N -1 3 369.303 3.473 20 0 FGADHM Cc1cccc(C[C@@H](CO)NCc2cccc([O-])c2Br)c1 ZINC000459494277 501663762 /nfs/dbraw/zinc/66/37/62/501663762.db2.gz JCLCRNFYCBNOGO-HNNXBMFYSA-N -1 3 350.256 3.156 20 0 FGADHM Cc1cc(C(=O)N2CCCC[C@@H]2c2nc3cc(Cl)ccc3[nH]2)[n-]c(=O)n1 ZINC000457391775 501692098 /nfs/dbraw/zinc/69/20/98/501692098.db2.gz YZDSUBRWVCGAGU-OAHLLOKOSA-N -1 3 371.828 3.388 20 0 FGADHM CC(C)c1cccc(CC(=O)Nc2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)c1 ZINC000457463374 501703309 /nfs/dbraw/zinc/70/33/09/501703309.db2.gz UFIWESRTRIQJOF-NRFANRHFSA-N -1 3 365.433 3.046 20 0 FGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]CCc1ccccn1 ZINC000470561998 501727693 /nfs/dbraw/zinc/72/76/93/501727693.db2.gz YGAPNSSLELNAIO-UHFFFAOYSA-N -1 3 350.827 3.311 20 0 FGADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)[C@@H](C)c2cccnc2)[nH][n-]1 ZINC000470562467 501727898 /nfs/dbraw/zinc/72/78/98/501727898.db2.gz IHIFJOJAALOYJJ-NSHDSACASA-N -1 3 356.813 3.298 20 0 FGADHM Cc1ccc(-c2csc(NC(=O)c3cc(=O)[n-]c(N(C)C)n3)n2)c(C)c1 ZINC000463458569 501730264 /nfs/dbraw/zinc/73/02/64/501730264.db2.gz YCILTCPUOKEZLC-UHFFFAOYSA-N -1 3 369.450 3.241 20 0 FGADHM CCc1nc(CCNC(=O)Cc2ccc(Br)cc2[O-])cs1 ZINC000477623420 501741484 /nfs/dbraw/zinc/74/14/84/501741484.db2.gz WGOCPRJLXZSKJK-UHFFFAOYSA-N -1 3 369.284 3.075 20 0 FGADHM CCCCOc1ccc(C(=O)N2CCc3c(=O)[n-]cnc3C2)c(Cl)c1 ZINC000474210303 501745613 /nfs/dbraw/zinc/74/56/13/501745613.db2.gz BRCKLGHRIJDBED-UHFFFAOYSA-N -1 3 361.829 3.213 20 0 FGADHM COC(=O)c1c(F)ccc([N-]C(=O)c2cc(F)cc3nccnc32)c1F ZINC000485177134 501748112 /nfs/dbraw/zinc/74/81/12/501748112.db2.gz UKZUCJUMGFSXII-UHFFFAOYSA-N -1 3 361.279 3.086 20 0 FGADHM O=C([N-]c1nc2ccc(OCC(F)(F)F)cc2s1)c1cnns1 ZINC000485341786 501792523 /nfs/dbraw/zinc/79/25/23/501792523.db2.gz CGICSFPPDOWDNR-UHFFFAOYSA-N -1 3 360.342 3.341 20 0 FGADHM CCOc1nc(C)ccc1C(=O)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1 ZINC000477819788 501798043 /nfs/dbraw/zinc/79/80/43/501798043.db2.gz KADOPPDVXWZIOP-UHFFFAOYSA-N -1 3 358.348 3.131 20 0 FGADHM Cc1cc([C@@H]2CCCN2c2nc3[nH][n-]cc-3c(=N)n2)ccc1Br ZINC000485400173 501810644 /nfs/dbraw/zinc/81/06/44/501810644.db2.gz AYEDIYJJCMJVSL-ZDUSSCGKSA-N -1 3 373.258 3.129 20 0 FGADHM COC(=O)COc1ccc([N-]S(=O)(=O)c2cccc(C(C)C)c2)cc1 ZINC000460422016 501821505 /nfs/dbraw/zinc/82/15/05/501821505.db2.gz DGYSIHWRBWTHSX-UHFFFAOYSA-N -1 3 363.435 3.163 20 0 FGADHM Cc1conc1[N-]C(=O)c1cnn(-c2ccccc2F)c1C(F)(F)F ZINC000485505752 501840452 /nfs/dbraw/zinc/84/04/52/501840452.db2.gz NAELTDXWWNCVKW-UHFFFAOYSA-N -1 3 354.263 3.001 20 0 FGADHM O=C(N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1)c1cnn(-c2ccccc2)c1 ZINC000467710447 501850686 /nfs/dbraw/zinc/85/06/86/501850686.db2.gz ILPVYVDTBLLLCB-UHFFFAOYSA-N -1 3 365.343 3.215 20 0 FGADHM CN(C)Cc1ccc(NC(=O)c2c[n-]c3ccccc3c2=O)cc1Cl ZINC000478025471 501857621 /nfs/dbraw/zinc/85/76/21/501857621.db2.gz NLVDVHMHIIKVBX-UHFFFAOYSA-N -1 3 355.825 3.495 20 0 FGADHM CCCCN(CCCC)S(=O)(=O)[N-]Cc1nnc(C(C)(C)C)s1 ZINC000467770616 501867056 /nfs/dbraw/zinc/86/70/56/501867056.db2.gz RJZWIWISQFZEON-UHFFFAOYSA-N -1 3 362.565 3.072 20 0 FGADHM CCc1cc(C(=O)Nc2cc(C(N)=O)ccc2N2CCCCC2)ccc1[O-] ZINC000485604256 501874816 /nfs/dbraw/zinc/87/48/16/501874816.db2.gz BJXMFWIVDNAKQC-UHFFFAOYSA-N -1 3 367.449 3.296 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)s1)[C@H](c1ccccc1)N(C)C ZINC000474571886 501879790 /nfs/dbraw/zinc/87/97/90/501879790.db2.gz BUJFDJYLPLKLFJ-IAQYHMDHSA-N -1 3 358.916 3.371 20 0 FGADHM Cc1cc(F)c(S(=O)(=O)[N-][C@@H](C)[C@@H](c2ccccc2)N(C)C)cc1F ZINC000474578712 501882719 /nfs/dbraw/zinc/88/27/19/501882719.db2.gz LZPQHBVVDCEEIY-UGSOOPFHSA-N -1 3 368.449 3.243 20 0 FGADHM CCCCc1nc(C(=O)OCC)c(NC(=O)c2ccc(C(C)=O)s2)[n-]1 ZINC000485677823 501898719 /nfs/dbraw/zinc/89/87/19/501898719.db2.gz YQOXFNZLOXDZCL-UHFFFAOYSA-N -1 3 363.439 3.445 20 0 FGADHM CCCCc1nc(NC(=O)c2ccc(C(C)=O)s2)c(C(=O)OCC)[n-]1 ZINC000485677823 501898723 /nfs/dbraw/zinc/89/87/23/501898723.db2.gz YQOXFNZLOXDZCL-UHFFFAOYSA-N -1 3 363.439 3.445 20 0 FGADHM O=C(NCc1ncccc1[O-])Nc1ccc(OCc2ccccn2)c(F)c1 ZINC000467943824 501910927 /nfs/dbraw/zinc/91/09/27/501910927.db2.gz ZLPIVSVBGXEKPX-UHFFFAOYSA-N -1 3 368.368 3.222 20 0 FGADHM CCCCc1nc(C(=O)OCC)c(NC(=O)COc2cccc(F)c2)[n-]1 ZINC000485713608 501911263 /nfs/dbraw/zinc/91/12/63/501911263.db2.gz XBAPMSNXFFWIGJ-UHFFFAOYSA-N -1 3 363.389 3.086 20 0 FGADHM CCCCc1nc(NC(=O)COc2cccc(F)c2)c(C(=O)OCC)[n-]1 ZINC000485713608 501911265 /nfs/dbraw/zinc/91/12/65/501911265.db2.gz XBAPMSNXFFWIGJ-UHFFFAOYSA-N -1 3 363.389 3.086 20 0 FGADHM CN(Cc1ccnn1C)Cc1nc(=O)c2cc(-c3ccccc3)sc2[n-]1 ZINC000471082261 501913291 /nfs/dbraw/zinc/91/32/91/501913291.db2.gz VPFHRGRLPPNCJU-UHFFFAOYSA-N -1 3 365.462 3.429 20 0 FGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(NC(=O)NCCC2(C)CC2)ccc1F ZINC000467958305 501913591 /nfs/dbraw/zinc/91/35/91/501913591.db2.gz JXMZFFVQOKBWSC-UHFFFAOYSA-N -1 3 371.478 3.214 20 0 FGADHM O=C(CCSc1ccccc1Cl)NCc1nnc(C(F)(F)F)[n-]1 ZINC000481920568 501918850 /nfs/dbraw/zinc/91/88/50/501918850.db2.gz JQKRPSFFPGFVSI-UHFFFAOYSA-N -1 3 364.780 3.276 20 0 FGADHM O=C(CCSc1ccccc1Cl)NCc1n[n-]c(C(F)(F)F)n1 ZINC000481920568 501918858 /nfs/dbraw/zinc/91/88/58/501918858.db2.gz JQKRPSFFPGFVSI-UHFFFAOYSA-N -1 3 364.780 3.276 20 0 FGADHM O=C(CCSc1ccccc1Cl)NCc1nc(C(F)(F)F)n[n-]1 ZINC000481920568 501918865 /nfs/dbraw/zinc/91/88/65/501918865.db2.gz JQKRPSFFPGFVSI-UHFFFAOYSA-N -1 3 364.780 3.276 20 0 FGADHM O=C(NCc1ncccc1[O-])Nc1ncc(Cc2cccc(F)c2)s1 ZINC000471130242 501930558 /nfs/dbraw/zinc/93/05/58/501930558.db2.gz UHQBQUBCMHWYIZ-UHFFFAOYSA-N -1 3 358.398 3.295 20 0 FGADHM COCCOc1ccc(C(=O)Nc2nnc(-c3c(F)cccc3F)[n-]2)cc1 ZINC000478313941 501940352 /nfs/dbraw/zinc/94/03/52/501940352.db2.gz NVOKYMOYGRPPEB-UHFFFAOYSA-N -1 3 374.347 3.027 20 0 FGADHM COCCOc1ccc(C(=O)Nc2nc(-c3c(F)cccc3F)n[n-]2)cc1 ZINC000478313941 501940358 /nfs/dbraw/zinc/94/03/58/501940358.db2.gz NVOKYMOYGRPPEB-UHFFFAOYSA-N -1 3 374.347 3.027 20 0 FGADHM COCCOc1ccc(C(=O)Nc2n[n-]c(-c3c(F)cccc3F)n2)cc1 ZINC000478313941 501940360 /nfs/dbraw/zinc/94/03/60/501940360.db2.gz NVOKYMOYGRPPEB-UHFFFAOYSA-N -1 3 374.347 3.027 20 0 FGADHM CCc1cc(C(=O)N2CCC[C@H](C(=O)Nc3ccc(C)cn3)C2)ccc1[O-] ZINC000485803163 501943491 /nfs/dbraw/zinc/94/34/91/501943491.db2.gz NOQMBNXOKWRVHJ-KRWDZBQOSA-N -1 3 367.449 3.149 20 0 FGADHM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000474768824 501946750 /nfs/dbraw/zinc/94/67/50/501946750.db2.gz AODFFKWKOQUVDP-UHFFFAOYSA-N -1 3 371.176 3.147 20 0 FGADHM Cc1nc(C)c(CC(=O)N[C@H](CCc2ccccc2)C(F)(F)F)c(=O)[n-]1 ZINC000482016022 501947924 /nfs/dbraw/zinc/94/79/24/501947924.db2.gz HMHSPOQVBGWDLF-OAHLLOKOSA-N -1 3 367.371 3.021 20 0 FGADHM CCOC(=O)c1ccsc1[N-]C(=O)C(=O)N1CC(C)(C)CC(C)(C)C1 ZINC000468083605 501950493 /nfs/dbraw/zinc/95/04/93/501950493.db2.gz YUGSQJFDJAXBNC-UHFFFAOYSA-N -1 3 366.483 3.148 20 0 FGADHM CCc1ncc(S(=O)(=O)[N-]CC2(Cc3ccc(F)cc3)CC2)s1 ZINC000460907552 501956749 /nfs/dbraw/zinc/95/67/49/501956749.db2.gz DSSSCNZRMRPASQ-UHFFFAOYSA-N -1 3 354.472 3.146 20 0 FGADHM CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@H](C)c2ccccc2)c1 ZINC000485838715 501957438 /nfs/dbraw/zinc/95/74/38/501957438.db2.gz JYOMMKKNIXUNJV-GFCCVEGCSA-N -1 3 351.399 3.042 20 0 FGADHM CCc1ncc(S(=O)(=O)[N-]CCc2ccccc2C(F)(F)F)s1 ZINC000460947590 501967490 /nfs/dbraw/zinc/96/74/90/501967490.db2.gz HADPDNMIBUFKAF-UHFFFAOYSA-N -1 3 364.414 3.245 20 0 FGADHM C[C@@H](NC(=O)N=c1cc2ccc(Br)cn2[n-]1)C1CCCC1 ZINC000482078172 501967647 /nfs/dbraw/zinc/96/76/47/501967647.db2.gz PNOAJEHCJZKZPT-SNVBAGLBSA-N -1 3 351.248 3.219 20 0 FGADHM CCc1ncc(S(=O)(=O)[N-][C@H](C)c2ccc(OC(F)F)cc2)s1 ZINC000460950960 501968329 /nfs/dbraw/zinc/96/83/29/501968329.db2.gz TYOHUJFUGOOODG-SECBINFHSA-N -1 3 362.423 3.346 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]CCc2c[nH]c3cc(F)ccc23)c(F)c1 ZINC000485874087 501970158 /nfs/dbraw/zinc/97/01/58/501970158.db2.gz WPFTXDCBZTXNFU-UHFFFAOYSA-N -1 3 350.390 3.276 20 0 FGADHM CCc1ncc(S(=O)(=O)[N-]CC[C@H](C)c2ccc(OC)cc2)s1 ZINC000460956928 501970981 /nfs/dbraw/zinc/97/09/81/501970981.db2.gz JPFJSFRRQWTSBL-LBPRGKRZSA-N -1 3 354.497 3.186 20 0 FGADHM O=C(CCc1ccc(Br)cc1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000482140145 501986942 /nfs/dbraw/zinc/98/69/42/501986942.db2.gz QXBZRDMDUPNCBU-UHFFFAOYSA-N -1 3 372.226 3.201 20 0 FGADHM O=C(CCc1ccc(Br)cc1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000482140145 501986947 /nfs/dbraw/zinc/98/69/47/501986947.db2.gz QXBZRDMDUPNCBU-UHFFFAOYSA-N -1 3 372.226 3.201 20 0 FGADHM O=C([N-]c1cc(F)c(OC(F)F)cc1F)c1ncn(-c2ccccc2)n1 ZINC000468219322 501993868 /nfs/dbraw/zinc/99/38/68/501993868.db2.gz RVTLARLBYXGJIM-UHFFFAOYSA-N -1 3 366.274 3.399 20 0 FGADHM C[C@H]1CCC[C@@H]1CNC(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482171066 501996304 /nfs/dbraw/zinc/99/63/04/501996304.db2.gz TWLXRPRCJXHHFK-WDEREUQCSA-N -1 3 351.248 3.076 20 0 FGADHM O=C(NC[C@H]1CC=CCC1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000602754800 506287098 /nfs/dbraw/zinc/28/70/98/506287098.db2.gz VDGMPOWRZTWWOT-NSHDSACASA-N -1 3 361.239 3.377 20 0 FGADHM Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000482229445 502013910 /nfs/dbraw/zinc/01/39/10/502013910.db2.gz NSFPYBPSLCPBDV-LLVKDONJSA-N -1 3 370.375 3.339 20 0 FGADHM Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000482229445 502013916 /nfs/dbraw/zinc/01/39/16/502013916.db2.gz NSFPYBPSLCPBDV-LLVKDONJSA-N -1 3 370.375 3.339 20 0 FGADHM Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000482229445 502013920 /nfs/dbraw/zinc/01/39/20/502013920.db2.gz NSFPYBPSLCPBDV-LLVKDONJSA-N -1 3 370.375 3.339 20 0 FGADHM Cc1cccc(Cl)c1[N-]S(=O)(=O)c1cccc(C(=O)NC2CC2)c1 ZINC000461107179 502014255 /nfs/dbraw/zinc/01/42/55/502014255.db2.gz LGEDLKIADUVHGY-UHFFFAOYSA-N -1 3 364.854 3.341 20 0 FGADHM Cc1c(NC(=O)CCCc2ccc([O-])c(F)c2)cccc1N1CN=NC1=O ZINC000461105836 502014350 /nfs/dbraw/zinc/01/43/50/502014350.db2.gz YZBAWZOIVRBWAI-UHFFFAOYSA-N -1 3 370.384 3.087 20 0 FGADHM CC[C@H](c1ccc(Br)cc1)N1CCN([C@@H](CC)C(=O)[O-])CC1 ZINC000478550942 502015833 /nfs/dbraw/zinc/01/58/33/502015833.db2.gz QFGIRUNAJGBVAS-CVEARBPZSA-N -1 3 369.303 3.381 20 0 FGADHM C[C@@H](CC(=O)NCc1nnc(C(F)(F)F)[n-]1)Cc1ccc(Cl)cc1 ZINC000482246903 502018933 /nfs/dbraw/zinc/01/89/33/502018933.db2.gz UQDHPXFYITWFLD-SECBINFHSA-N -1 3 360.767 3.362 20 0 FGADHM C[C@@H](CC(=O)NCc1n[n-]c(C(F)(F)F)n1)Cc1ccc(Cl)cc1 ZINC000482246903 502018937 /nfs/dbraw/zinc/01/89/37/502018937.db2.gz UQDHPXFYITWFLD-SECBINFHSA-N -1 3 360.767 3.362 20 0 FGADHM C[C@@H](CC(=O)NCc1nc(C(F)(F)F)n[n-]1)Cc1ccc(Cl)cc1 ZINC000482246903 502018940 /nfs/dbraw/zinc/01/89/40/502018940.db2.gz UQDHPXFYITWFLD-SECBINFHSA-N -1 3 360.767 3.362 20 0 FGADHM CCc1cc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C)cc2)ccc1[O-] ZINC000486031307 502025050 /nfs/dbraw/zinc/02/50/50/502025050.db2.gz SZCDFDBRBAKSLO-QGZVFWFLSA-N -1 3 370.474 3.417 20 0 FGADHM COc1cccc2c1CC[C@H]2[N-]S(=O)(=O)c1cc(Cl)ccc1OC ZINC000486083977 502041282 /nfs/dbraw/zinc/04/12/82/502041282.db2.gz ZZBXXAIKRABBEE-CQSZACIVSA-N -1 3 367.854 3.323 20 0 FGADHM COc1ccc(Sc2nsc([N-]C(=O)c3cnc(C)cn3)n2)cc1 ZINC000475065576 502042844 /nfs/dbraw/zinc/04/28/44/502042844.db2.gz NEXXMTOKRZIHAW-UHFFFAOYSA-N -1 3 359.436 3.049 20 0 FGADHM COc1ccccc1CCC(=O)N=c1nc(-c2ccccc2Cl)[n-]n1C ZINC000461228299 502045887 /nfs/dbraw/zinc/04/58/87/502045887.db2.gz BJRUZBUHBBJXOP-UHFFFAOYSA-N -1 3 370.840 3.137 20 0 FGADHM Cn1[n-]c(-c2ccccc2Cl)nc1=NC(=O)C1CCC(F)(F)CC1 ZINC000461229555 502046123 /nfs/dbraw/zinc/04/61/23/502046123.db2.gz NELKYUVWHGUJKO-UHFFFAOYSA-N -1 3 354.788 3.321 20 0 FGADHM COc1ccc(C(=O)N=c2nc(-c3ccccc3Cl)[n-]n2C)c(C)c1 ZINC000461232771 502047173 /nfs/dbraw/zinc/04/71/73/502047173.db2.gz KQHMQSAIOHCGCK-UHFFFAOYSA-N -1 3 356.813 3.127 20 0 FGADHM Cn1[n-]c(-c2ccccc2Cl)nc1=NC(=O)c1cc(F)c(F)cc1F ZINC000461238128 502047959 /nfs/dbraw/zinc/04/79/59/502047959.db2.gz KGYOFZQHQQZODC-UHFFFAOYSA-N -1 3 366.730 3.227 20 0 FGADHM C[C@H](Oc1ccc(F)cc1)C(=O)N=c1nc(-c2ccccc2Cl)[n-]n1C ZINC000461247629 502050925 /nfs/dbraw/zinc/05/09/25/502050925.db2.gz YZLCSSMGZMPARY-NSHDSACASA-N -1 3 374.803 3.103 20 0 FGADHM COC(=O)c1cc(NCc2nc(C(F)(F)F)cc(=O)[n-]2)c(C)cc1C ZINC000471550364 502062153 /nfs/dbraw/zinc/06/21/53/502062153.db2.gz XWFQQVAVQOCPEY-UHFFFAOYSA-N -1 3 355.316 3.217 20 0 FGADHM COC(=O)c1cc(F)cc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)c1F ZINC000478706282 502063984 /nfs/dbraw/zinc/06/39/84/502063984.db2.gz ZXPKCFCXIAKQAP-UHFFFAOYSA-N -1 3 367.373 3.041 20 0 FGADHM CCc1cc(C(=O)Nc2ccc(C)c(N3C(=O)CCC3=O)c2)ccc1[O-] ZINC000486179224 502072840 /nfs/dbraw/zinc/07/28/40/502072840.db2.gz VXFHBQLQOSHOKE-UHFFFAOYSA-N -1 3 352.390 3.169 20 0 FGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)CCc1cnc2ccccc2c1 ZINC000471642770 502096727 /nfs/dbraw/zinc/09/67/27/502096727.db2.gz DSFYHWAEXFVLFG-UHFFFAOYSA-N -1 3 369.446 3.178 20 0 FGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)Cc1ccccc1F ZINC000486254589 502100380 /nfs/dbraw/zinc/10/03/80/502100380.db2.gz 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ZINC000464915636 502144260 /nfs/dbraw/zinc/14/42/60/502144260.db2.gz XXXBLACMIVRMKF-TZMCWYRMSA-N -1 3 369.487 3.157 20 0 FGADHM CO[C@H]1CCOc2c(NC(=O)c3c[n-]nc3-c3ccncc3)cccc21 ZINC000468681449 502144523 /nfs/dbraw/zinc/14/45/23/502144523.db2.gz IVEKESFHOBFHJM-INIZCTEOSA-N -1 3 350.378 3.194 20 0 FGADHM CO[C@H]1CCOc2c(NC(=O)c3cn[n-]c3-c3ccncc3)cccc21 ZINC000468681449 502144528 /nfs/dbraw/zinc/14/45/28/502144528.db2.gz IVEKESFHOBFHJM-INIZCTEOSA-N -1 3 350.378 3.194 20 0 FGADHM Cc1ccc(C(=O)Nc2cc3c(cc2[O-])n(C)c(=O)n3C)c(Cl)c1C ZINC000461615512 502154520 /nfs/dbraw/zinc/15/45/20/502154520.db2.gz SZBLUOWEVHOKFE-UHFFFAOYSA-N -1 3 359.813 3.105 20 0 FGADHM C[C@@H](Cc1cccc(Cl)c1)C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C ZINC000461621366 502155843 /nfs/dbraw/zinc/15/58/43/502155843.db2.gz UDFBPRLIXXWOOG-NSHDSACASA-N -1 3 373.840 3.053 20 0 FGADHM CCC(C)(C)c1ccc(NC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C)cc1 ZINC000468742833 502166941 /nfs/dbraw/zinc/16/69/41/502166941.db2.gz FNWPDPMRLDICNB-HNNXBMFYSA-N -1 3 354.516 3.277 20 0 FGADHM O=C(Nc1nc2ccccc2n1Cc1ccc(Cl)cc1)c1nnc[n-]1 ZINC000482746920 502168698 /nfs/dbraw/zinc/16/86/98/502168698.db2.gz MWJABQFYWLRCKS-UHFFFAOYSA-N -1 3 352.785 3.108 20 0 FGADHM O=C(Nc1nc2ccccc2n1Cc1ccc(Cl)cc1)c1nc[n-]n1 ZINC000482746920 502168701 /nfs/dbraw/zinc/16/87/01/502168701.db2.gz MWJABQFYWLRCKS-UHFFFAOYSA-N -1 3 352.785 3.108 20 0 FGADHM CC(C)[C@H](CNC(=O)NCc1nnc(C(F)(F)F)[n-]1)Cc1ccccc1 ZINC000468747327 502169987 /nfs/dbraw/zinc/16/99/87/502169987.db2.gz DAUZZGOGHAULJH-ZDUSSCGKSA-N -1 3 369.391 3.138 20 0 FGADHM CC(C)[C@H](CNC(=O)NCc1n[n-]c(C(F)(F)F)n1)Cc1ccccc1 ZINC000468747327 502169993 /nfs/dbraw/zinc/16/99/93/502169993.db2.gz DAUZZGOGHAULJH-ZDUSSCGKSA-N -1 3 369.391 3.138 20 0 FGADHM CC(C)[C@H](CNC(=O)NCc1nc(C(F)(F)F)n[n-]1)Cc1ccccc1 ZINC000468747327 502169996 /nfs/dbraw/zinc/16/99/96/502169996.db2.gz DAUZZGOGHAULJH-ZDUSSCGKSA-N -1 3 369.391 3.138 20 0 FGADHM COC[C@](C)([N-]S(=O)(=O)c1ccc(OC(C)C)c(C)c1)C(F)(F)F ZINC000479150685 502176683 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CCOc1nc2ccc(C(=O)Nc3ccc4c(c3)CCN4C(C)=O)cc2[n-]1 ZINC000468848393 502205050 /nfs/dbraw/zinc/20/50/50/502205050.db2.gz GKUCLESXWNFDHC-UHFFFAOYSA-N -1 3 364.405 3.123 20 0 FGADHM CCOc1nc2cc(C(=O)Nc3ccc4c(c3)CCN4C(C)=O)ccc2[n-]1 ZINC000468848393 502205056 /nfs/dbraw/zinc/20/50/56/502205056.db2.gz GKUCLESXWNFDHC-UHFFFAOYSA-N -1 3 364.405 3.123 20 0 FGADHM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]C1(C)CCCC1 ZINC000468848016 502205357 /nfs/dbraw/zinc/20/53/57/502205357.db2.gz DZRAQUFCAMHCKU-LBPRGKRZSA-N -1 3 361.891 3.365 20 0 FGADHM Cc1cccc(F)c1S(=O)(=O)[N-]CCc1nc2ccccc2s1 ZINC000475554136 502212112 /nfs/dbraw/zinc/21/21/12/502212112.db2.gz QXYUYVVVZAIWPQ-UHFFFAOYSA-N -1 3 350.440 3.265 20 0 FGADHM Cc1ccc([C@@H](C[N-]S(=O)(=O)c2c(C)cccc2F)N2CCCC2)o1 ZINC000475570279 502214807 /nfs/dbraw/zinc/21/48/07/502214807.db2.gz FBJACMLLVAAWNE-MRXNPFEDSA-N -1 3 366.458 3.151 20 0 FGADHM Cc1cccc(F)c1S(=O)(=O)[N-][C@@H]1CCCOc2ccc(F)cc21 ZINC000475571407 502216425 /nfs/dbraw/zinc/21/64/25/502216425.db2.gz 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Cc1cc(F)c(S(=O)(=O)[N-]C[C@@H]2CCCO[C@H]2C(C)(C)C)cc1F ZINC000475760786 502283963 /nfs/dbraw/zinc/28/39/63/502283963.db2.gz UFDVGGBDOVPCAL-BLLLJJGKSA-N -1 3 361.454 3.393 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1cc(F)cc(F)c1)c1nc(C(F)(F)F)cs1 ZINC000486866606 502288035 /nfs/dbraw/zinc/28/80/35/502288035.db2.gz NKKVVSCTNRTAQB-LURJTMIESA-N -1 3 372.340 3.480 20 0 FGADHM C[C@@H]1C[C@@H](CC[N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)CCO1 ZINC000462068621 502293448 /nfs/dbraw/zinc/29/34/48/502293448.db2.gz UTCPJCXQYVEAQV-ZJUUUORDSA-N -1 3 357.419 3.250 20 0 FGADHM Cc1cccc2c(=O)c(C(=O)N(C)[C@@H](C)Cc3ccc(O)cc3)c[n-]c12 ZINC000483157227 502297000 /nfs/dbraw/zinc/29/70/00/502297000.db2.gz KBOUTDGXGUYEOD-AWEZNQCLSA-N -1 3 350.418 3.245 20 0 FGADHM C[C@H]1CCN(C(=O)c2cnn3c2[nH]c(=O)c2ccccc23)c2c([O-])cccc21 ZINC000469149455 502315921 /nfs/dbraw/zinc/31/59/21/502315921.db2.gz VBDJYCLVJDBZRE-LBPRGKRZSA-N -1 3 374.400 3.035 20 0 FGADHM O=S(=O)([N-]Cc1ccc2cc[nH]c2n1)c1ccc(C(F)(F)F)s1 ZINC000462131623 502318385 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CCOc1ccc(-c2nc(CC)c(C(=O)Nc3n[n-]c(OC)n3)s2)cc1 ZINC000472439653 502352283 /nfs/dbraw/zinc/35/22/83/502352283.db2.gz VAFLMDOLSVIMIJ-UHFFFAOYSA-N -1 3 373.438 3.150 20 0 FGADHM CCOc1ccc(-c2nc(CC)c(C(=O)Nc3nc(OC)n[n-]3)s2)cc1 ZINC000472439653 502352288 /nfs/dbraw/zinc/35/22/88/502352288.db2.gz VAFLMDOLSVIMIJ-UHFFFAOYSA-N -1 3 373.438 3.150 20 0 FGADHM Cc1ccc(F)c(S(=O)(=O)[N-]C[C@@H]2SCCc3ccccc32)c1 ZINC000487139508 502369928 /nfs/dbraw/zinc/36/99/28/502369928.db2.gz PJXSRPPOVRYTIG-INIZCTEOSA-N -1 3 351.468 3.443 20 0 FGADHM Cc1cccc(C)c1NCC(=O)Nc1nnc(-c2c(F)cccc2F)[n-]1 ZINC000479767742 502371461 /nfs/dbraw/zinc/37/14/61/502371461.db2.gz RPCGGVLRKOTZEJ-UHFFFAOYSA-N -1 3 357.364 3.417 20 0 FGADHM Cc1cccc(C)c1NCC(=O)Nc1nc(-c2c(F)cccc2F)n[n-]1 ZINC000479767742 502371463 /nfs/dbraw/zinc/37/14/63/502371463.db2.gz RPCGGVLRKOTZEJ-UHFFFAOYSA-N -1 3 357.364 3.417 20 0 FGADHM Cc1cccc(C)c1NCC(=O)Nc1n[n-]c(-c2c(F)cccc2F)n1 ZINC000479767742 502371465 /nfs/dbraw/zinc/37/14/65/502371465.db2.gz 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Cc1cccc(F)c1S(=O)(=O)[N-]CCc1csc(C(C)(C)C)n1 ZINC000476541549 502519326 /nfs/dbraw/zinc/51/93/26/502519326.db2.gz UXVGVZFHOJWFTC-UHFFFAOYSA-N -1 3 356.488 3.409 20 0 FGADHM CCC[C@H]([N-]S(=O)(=O)Cc1ccccc1Cl)C(=O)OC(C)(C)C ZINC000462654749 502523634 /nfs/dbraw/zinc/52/36/34/502523634.db2.gz AEZOCCZXMVQBDA-AWEZNQCLSA-N -1 3 361.891 3.270 20 0 FGADHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(OC)ccc2Cl)C12CCCC2 ZINC000462665651 502527974 /nfs/dbraw/zinc/52/79/74/502527974.db2.gz JXBOLYXWOHIMNI-JKSUJKDBSA-N -1 3 373.902 3.365 20 0 FGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)[C@@H]1CCc2cc(C)ccc2O1 ZINC000483952285 502530136 /nfs/dbraw/zinc/53/01/36/502530136.db2.gz HDBWFLHYLZVFCW-AWEZNQCLSA-N -1 3 358.394 3.054 20 0 FGADHM C[C@@H](C[N-]S(=O)(=O)c1cccc(Cl)c1F)Oc1cccc(F)c1 ZINC000462703138 502540420 /nfs/dbraw/zinc/54/04/20/502540420.db2.gz JEBCDAVEMXDVDY-JTQLQIEISA-N -1 3 361.797 3.364 20 0 FGADHM C[C@@H](C[N-]S(=O)(=O)c1cccc(Cl)c1F)Oc1ccccc1F ZINC000462707761 502542099 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Cc1ccc2cccc(NC(=O)NCc3nc(C(F)(F)F)n[n-]3)c2n1 ZINC000480528076 502592485 /nfs/dbraw/zinc/59/24/85/502592485.db2.gz QKNPQZGMKOYSAY-UHFFFAOYSA-N -1 3 350.304 3.002 20 0 FGADHM COc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1cc(C)c(F)cc1F)CCO2 ZINC000466545421 502602593 /nfs/dbraw/zinc/60/25/93/502602593.db2.gz NLHMPGNRJXDUBW-HNNXBMFYSA-N -1 3 369.389 3.084 20 0 FGADHM Cn1nc2c(c1CNCc1cc([O-])ccc1Br)CCCC2 ZINC000462872200 502608320 /nfs/dbraw/zinc/60/83/20/502608320.db2.gz SRRCAXBXNNMVBS-UHFFFAOYSA-N -1 3 350.260 3.057 20 0 FGADHM O=C(c1c[n-]c2c(F)cc(F)cc2c1=O)N1CC[C@H](Nc2ccccc2)C1 ZINC000484281137 502613661 /nfs/dbraw/zinc/61/36/61/502613661.db2.gz ZQTZCUVZQAHWFB-AWEZNQCLSA-N -1 3 369.371 3.133 20 0 FGADHM Cc1ccc(-c2nnc(NC(=O)[C@@H]3CCN(c4ccccc4)[C@H]3C)[n-]2)o1 ZINC000476919613 502621295 /nfs/dbraw/zinc/62/12/95/502621295.db2.gz HSNMDMQHMFQDOL-DZGCQCFKSA-N -1 3 351.410 3.227 20 0 FGADHM Cc1ccc(-c2n[n-]c(NC(=O)[C@@H]3CCN(c4ccccc4)[C@H]3C)n2)o1 ZINC000476919613 502621300 /nfs/dbraw/zinc/62/13/00/502621300.db2.gz HSNMDMQHMFQDOL-DZGCQCFKSA-N -1 3 351.410 3.227 20 0 FGADHM Cc1ccc(-c2nc(NC(=O)[C@@H]3CCN(c4ccccc4)[C@H]3C)n[n-]2)o1 ZINC000476919613 502621303 /nfs/dbraw/zinc/62/13/03/502621303.db2.gz HSNMDMQHMFQDOL-DZGCQCFKSA-N -1 3 351.410 3.227 20 0 FGADHM COC(=O)[C@H]1CCN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)[C@H]1C ZINC000470005058 502627789 /nfs/dbraw/zinc/62/77/89/502627789.db2.gz WBEVFRSULTVTRX-QWRGUYRKSA-N -1 3 373.434 3.040 20 0 FGADHM O=C(N=c1ccc(-c2ccccc2)n[n-]1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000466632758 502628190 /nfs/dbraw/zinc/62/81/90/502628190.db2.gz BLGPRLCKSKVMLI-HXUWFJFHSA-N -1 3 372.472 3.416 20 0 FGADHM Cc1c(NC(=O)c2c[n-]c3ccccc3c2=O)cccc1NC(=O)N(C)C ZINC000473545219 502631720 /nfs/dbraw/zinc/63/17/20/502631720.db2.gz UUJXTXQCPUNIJE-UHFFFAOYSA-N -1 3 364.405 3.182 20 0 FGADHM Cc1c(NC(=O)c2cnc3ccccc3c2[O-])cccc1NC(=O)N(C)C ZINC000473545219 502631726 /nfs/dbraw/zinc/63/17/26/502631726.db2.gz UUJXTXQCPUNIJE-UHFFFAOYSA-N -1 3 364.405 3.182 20 0 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CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)c1cc(F)cc2[n-]nnc21 ZINC000503661492 503453530 /nfs/dbraw/zinc/45/35/30/503453530.db2.gz BDCJCCDVOUHCTD-ABKXIKBNSA-N -1 3 362.792 3.256 20 0 FGADHM CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000503661492 503453532 /nfs/dbraw/zinc/45/35/32/503453532.db2.gz BDCJCCDVOUHCTD-ABKXIKBNSA-N -1 3 362.792 3.256 20 0 FGADHM CCCN(CCC)S(=O)(=O)[N-]c1c(C)nn(-c2ccccc2)c1C ZINC000608007207 506372848 /nfs/dbraw/zinc/37/28/48/506372848.db2.gz KUZJEKASFGRGTH-UHFFFAOYSA-N -1 3 350.488 3.268 20 0 FGADHM O=S(=O)([N-][C@H]1CC=CCC1)c1cccc(Cl)c1Br ZINC000493945490 503463012 /nfs/dbraw/zinc/46/30/12/503463012.db2.gz RLAURAGPRGTYQO-VIFPVBQESA-N -1 3 350.665 3.490 20 0 FGADHM O=C(Cn1cc(Cl)cn1)N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1 ZINC000493958767 503465896 /nfs/dbraw/zinc/46/58/96/503465896.db2.gz VLMRJHBJLKRCER-UHFFFAOYSA-N -1 3 370.627 3.294 20 0 FGADHM O=C([C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)N1CCc2c(=O)[n-]cnc2C1 ZINC000516212221 503472819 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O=C([O-])[C@@]1(C(F)(F)F)CCN(CCOc2ccccc2C(F)(F)F)C1 ZINC000516481629 503517645 /nfs/dbraw/zinc/51/76/45/503517645.db2.gz HVIMJAOXBWHMAB-CYBMUJFWSA-N -1 3 371.277 3.423 20 0 FGADHM C[C@@]1(c2ccc(NC(=O)c3cc4sccc4s3)cc2)NC(=O)[N-]C1=O ZINC000516503135 503522969 /nfs/dbraw/zinc/52/29/69/503522969.db2.gz VXTGYWGMLUDQAU-KRWDZBQOSA-N -1 3 371.443 3.270 20 0 FGADHM CCOC(=O)c1nnsc1[N-]C(=O)CO[C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC000512360668 503528429 /nfs/dbraw/zinc/52/84/29/503528429.db2.gz BVMWLVLWDWXEBP-FRRDWIJNSA-N -1 3 369.487 3.131 20 0 FGADHM O=C(c1csc(-c2cccc(Cl)c2)n1)N1CCc2c(=O)[n-]cnc2C1 ZINC000504139343 503528716 /nfs/dbraw/zinc/52/87/16/503528716.db2.gz RQDNLDQOUYTMMM-UHFFFAOYSA-N -1 3 372.837 3.158 20 0 FGADHM Cc1cc(C(=O)N[C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)ccc1[O-] ZINC000500058315 503542946 /nfs/dbraw/zinc/54/29/46/503542946.db2.gz VKRFCDUINTUXOE-HNNXBMFYSA-N -1 3 362.788 3.028 20 0 FGADHM C[C@@H]1COc2ccccc2CN1C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000504244563 503543268 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20 0 FGADHM CCOC(=O)c1nc[n-]c1NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 ZINC000538855309 504393935 /nfs/dbraw/zinc/39/39/35/504393935.db2.gz ATZVKRWFJGTVAW-GFCCVEGCSA-N -1 3 359.426 3.290 20 0 FGADHM CCOC(=O)c1[n-]cnc1NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 ZINC000538855309 504393940 /nfs/dbraw/zinc/39/39/40/504393940.db2.gz ATZVKRWFJGTVAW-GFCCVEGCSA-N -1 3 359.426 3.290 20 0 FGADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H]1CCO[C@@H](C2CC2)C1 ZINC000545201662 504394848 /nfs/dbraw/zinc/39/48/48/504394848.db2.gz LPBAANIGJSYICF-CZUORRHYSA-N -1 3 353.415 3.116 20 0 FGADHM O=C(N=c1cc(-c2ccccc2)[n-][nH]1)c1nn(-c2ccccc2)c2c1CCC2 ZINC000519998331 504397043 /nfs/dbraw/zinc/39/70/43/504397043.db2.gz YHSCXEZYQZMFOV-UHFFFAOYSA-N -1 3 369.428 3.425 20 0 FGADHM CCOC(=O)c1ccc(NC(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)c([O-])c1 ZINC000538871677 504400057 /nfs/dbraw/zinc/40/00/57/504400057.db2.gz RALRIOKMNNQQQL-UHFFFAOYSA-N -1 3 368.389 3.051 20 0 FGADHM CCOC(=O)c1ccc(NC(=O)c2cnc([C@H](C)OCC)s2)c([O-])c1 ZINC000538928920 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C/C=C/c1ccc(NC(=O)[C@@H](C)[N-]S(=O)(=O)c2cccs2)cc1 ZINC000520275060 504452633 /nfs/dbraw/zinc/45/26/33/504452633.db2.gz GLRBYWKCUMIFGG-OGOUPESXSA-N -1 3 350.465 3.087 20 0 FGADHM CC(C)(C)OC(=O)C[C@@H]1CCCN(C(=O)c2cc(=O)c3ccccc3[n-]2)C1 ZINC000531870716 504453906 /nfs/dbraw/zinc/45/39/06/504453906.db2.gz OIOBFYFLJWBIEU-AWEZNQCLSA-N -1 3 370.449 3.112 20 0 FGADHM COc1cc(=NC(=O)[C@@H](Sc2ccccc2F)c2ccccc2)[n-]n1C ZINC000548471189 504458473 /nfs/dbraw/zinc/45/84/73/504458473.db2.gz JSQOPCWPMSFVLY-SFHVURJKSA-N -1 3 371.437 3.462 20 0 FGADHM COc1cc(=NC(=O)N2CCCC[C@H]2c2cc3ccccc3[nH]2)[n-]n1C ZINC000548500270 504468653 /nfs/dbraw/zinc/46/86/53/504468653.db2.gz WLLAQPBQQPQQCB-INIZCTEOSA-N -1 3 353.426 3.091 20 0 FGADHM Cc1ncc(CNC(=O)Nc2ccc(Cl)c(OC(F)F)c2)c(=O)[n-]1 ZINC000542384623 504469486 /nfs/dbraw/zinc/46/94/86/504469486.db2.gz UVKPIXUYSGHCJD-UHFFFAOYSA-N -1 3 358.732 3.067 20 0 FGADHM Cc1ncc(CNC(=O)c2[nH]c3ccc(Cl)cc3c2Cl)c(=O)[n-]1 ZINC000542385316 504470402 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Cc1ccc([O-])c(NC(=O)c2ccc(OCC(F)(F)C(F)F)nc2)n1 ZINC000542462322 504499587 /nfs/dbraw/zinc/49/95/87/504499587.db2.gz XQWQNCYLFXUTFL-UHFFFAOYSA-N -1 3 359.279 3.022 20 0 FGADHM COCC[C@H]([N-]S(=O)(=O)c1cccc2c(C)ccnc21)c1ccco1 ZINC000548625791 504501211 /nfs/dbraw/zinc/50/12/11/504501211.db2.gz NIDGUFCHLDBFHN-HNNXBMFYSA-N -1 3 360.435 3.192 20 0 FGADHM Cc1cnc([C@@H](C)CNC(=O)c2cc([O-])cc(Br)c2)s1 ZINC000529034793 504503505 /nfs/dbraw/zinc/50/35/05/504503505.db2.gz VKBGWKIUBOOTGB-QMMMGPOBSA-N -1 3 355.257 3.453 20 0 FGADHM COc1ccc(C(=O)C(=O)N=c2[nH][n-]c(C)c2-c2ccccc2)cc1Cl ZINC000545486762 504504675 /nfs/dbraw/zinc/50/46/75/504504675.db2.gz POHDIRGRDKFFBY-UHFFFAOYSA-N -1 3 369.808 3.290 20 0 FGADHM O=S(=O)([N-][C@@H]1CCCN(c2ccccc2F)C1)c1ccc(F)c(F)c1 ZINC000535690431 504507775 /nfs/dbraw/zinc/50/77/75/504507775.db2.gz QKXZFAGXZZBBFK-GFCCVEGCSA-N -1 3 370.396 3.051 20 0 FGADHM O=S(=O)(CCc1ccc2c(c1)CCO2)[N-]c1ccc(Cl)c(F)c1 ZINC000548653499 504509824 /nfs/dbraw/zinc/50/98/24/504509824.db2.gz 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O=S(=O)(CC1Cc2ccccc2C1)[N-]Cc1cc(-c2ccccc2)no1 ZINC000550826117 505109996 /nfs/dbraw/zinc/10/99/96/505109996.db2.gz CHIFQMCDVPNMSB-UHFFFAOYSA-N -1 3 368.458 3.176 20 0 FGADHM O=S(=O)([N-][C@H](COCc1ccccc1)c1ccccc1)c1ccccn1 ZINC000550856993 505114389 /nfs/dbraw/zinc/11/43/89/505114389.db2.gz OUFAVDZRGDBIGE-LJQANCHMSA-N -1 3 368.458 3.318 20 0 FGADHM CCSCc1ccc(C(=O)N=c2[n-]n(C)cc2Br)cc1 ZINC000566266284 505128400 /nfs/dbraw/zinc/12/84/00/505128400.db2.gz YFFCJFJOSXWTIO-UHFFFAOYSA-N -1 3 354.273 3.110 20 0 FGADHM CS(=O)(=O)[N-]c1ccc(C(=O)NCc2ccc(C3CC3)cc2F)cc1 ZINC000557416277 505129170 /nfs/dbraw/zinc/12/91/70/505129170.db2.gz DXGAZUVYFCMASN-UHFFFAOYSA-N -1 3 362.426 3.005 20 0 FGADHM O=S(=O)([N-]C1CCN(C2CCCC2)CC1)c1cc(Cl)ccc1F ZINC000551161160 505168001 /nfs/dbraw/zinc/16/80/01/505168001.db2.gz LXOJLGKSNCXQFV-UHFFFAOYSA-N -1 3 360.882 3.164 20 0 FGADHM O=C(N=c1cc2ccccn2[n-]1)NCCCCOc1ccc(Cl)cc1 ZINC000554411774 505168916 /nfs/dbraw/zinc/16/89/16/505168916.db2.gz GUQSUVWKWOUHKJ-UHFFFAOYSA-N -1 3 358.829 3.390 20 0 FGADHM Cc1ccc([C@@H](Cn2ccnc2)NC(=O)N=c2cc3ccccn3[n-]2)c(C)c1 ZINC000554412957 505169570 /nfs/dbraw/zinc/16/95/70/505169570.db2.gz PCDJVNHZJMVNRL-LJQANCHMSA-N -1 3 374.448 3.133 20 0 FGADHM Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)N=c2cc3ccccn3[n-]2)cc1 ZINC000554416347 505170133 /nfs/dbraw/zinc/17/01/33/505170133.db2.gz TYPCZSJIDQJCDM-XLIONFOSSA-N -1 3 364.449 3.354 20 0 FGADHM O=C(c1ccc(C(=O)N2CC[C@H](O)C23CCCC3)cc1)c1cccc([O-])c1 ZINC000554487575 505185131 /nfs/dbraw/zinc/18/51/31/505185131.db2.gz SFXQHCPPEZVMSL-IBGZPJMESA-N -1 3 365.429 3.143 20 0 FGADHM CCC[C@@H]1CCC[C@H]1c1nc(-c2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)no1 ZINC000563681380 505209556 /nfs/dbraw/zinc/20/95/56/505209556.db2.gz NGTORBCKYDYPJY-ASNKJTAVSA-N -1 3 368.437 3.475 20 0 FGADHM CC(F)(F)CNC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000554602914 505219433 /nfs/dbraw/zinc/21/94/33/505219433.db2.gz FOOSIPWJMAMJCH-MRXNPFEDSA-N -1 3 362.376 3.025 20 0 FGADHM C[C@@H]1CC[C@@H]1NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000557766950 505225471 /nfs/dbraw/zinc/22/54/71/505225471.db2.gz JZWXVFFSIJXXNR-KRTXAFLBSA-N -1 3 369.646 3.472 20 0 FGADHM C[C@@H]1CC[C@@H]1NC(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000557766950 505225477 /nfs/dbraw/zinc/22/54/77/505225477.db2.gz JZWXVFFSIJXXNR-KRTXAFLBSA-N -1 3 369.646 3.472 20 0 FGADHM CCOC(=O)c1c(CC(C)C)csc1[N-]C(=O)C(=O)N1CC[C@@H]1CC ZINC000551438005 505226538 /nfs/dbraw/zinc/22/65/38/505226538.db2.gz MEVLYRKGWZXOJT-ZDUSSCGKSA-N -1 3 366.483 3.073 20 0 FGADHM Cc1cccc(S(=O)(=O)[N-][C@@H](c2cccs2)C(C)(C)CO)c1F ZINC000563752397 505228694 /nfs/dbraw/zinc/22/86/94/505228694.db2.gz DRTUGGYEPMYNHX-HNNXBMFYSA-N -1 3 357.472 3.234 20 0 FGADHM Cc1n[n-]c(=NCc2cc(Cl)ccc2OC[C@H]2CCCO2)n1C1CC1 ZINC000551452638 505230294 /nfs/dbraw/zinc/23/02/94/505230294.db2.gz VIRQCMMQMKZLAG-MRXNPFEDSA-N -1 3 362.861 3.167 20 0 FGADHM C[C@@]1(C[N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)CCCS1 ZINC000557787310 505230856 /nfs/dbraw/zinc/23/08/56/505230856.db2.gz WYQDKJLVTSBXQF-LBPRGKRZSA-N -1 3 373.393 3.288 20 0 FGADHM CCc1cc(C(=O)NCc2ccc(C)cc2O[C@@H]2CCOC2)ccc1[O-] ZINC000563764953 505232069 /nfs/dbraw/zinc/23/20/69/505232069.db2.gz PBMIBGKYSXHIER-GOSISDBHSA-N -1 3 355.434 3.361 20 0 FGADHM COC(=O)C[C@@H](NC(=O)c1ccc2n[n-]nc2c1)c1cccc2ccccc21 ZINC000554664225 505235330 /nfs/dbraw/zinc/23/53/30/505235330.db2.gz RZYJFWOVYGHJAQ-GOSISDBHSA-N -1 3 374.400 3.145 20 0 FGADHM CC(C)[C@@]1(C)C[C@@H]1NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000566663599 505237007 /nfs/dbraw/zinc/23/70/07/505237007.db2.gz LMICBTVOAIIQQQ-DOTOQJQBSA-N -1 3 363.255 3.455 20 0 FGADHM COCC(C)(C)CCC[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000557853395 505246465 /nfs/dbraw/zinc/24/64/65/505246465.db2.gz ZVWYLBHKRSZAHJ-UHFFFAOYSA-N -1 3 353.406 3.437 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]C[C@H]2CC[C@H](c3ccccc3)O2)c(F)c1 ZINC000554716573 505247427 /nfs/dbraw/zinc/24/74/27/505247427.db2.gz VRYHUOCRWFFLNH-NVXWUHKLSA-N -1 3 365.426 3.033 20 0 FGADHM CC1(C)[C@H](c2ccccc2)CCN1CC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000563855797 505257939 /nfs/dbraw/zinc/25/79/39/505257939.db2.gz HAMBFWMUNQAGCV-INIZCTEOSA-N -1 3 369.490 3.277 20 0 FGADHM CCN(CC)[C@@H](CNC(=O)C1(C(=O)[O-])CC1)c1ccc(C(F)(F)F)cc1 ZINC000566741490 505261421 /nfs/dbraw/zinc/26/14/21/505261421.db2.gz ZWEJBPHCZAQAPE-AWEZNQCLSA-N -1 3 372.387 3.069 20 0 FGADHM O=C([N-]c1nnc(-c2cccc(OC(F)(F)F)c2)s1)c1cncnc1 ZINC000561141625 505261389 /nfs/dbraw/zinc/26/13/89/505261389.db2.gz OHNNBOYBKDHSMJ-UHFFFAOYSA-N -1 3 367.312 3.146 20 0 FGADHM O=C(N=c1cc2ccccn2[n-]1)c1ccc(Br)c(Cl)c1 ZINC000561145861 505262699 /nfs/dbraw/zinc/26/26/99/505262699.db2.gz KVLOSGXEQBYQDG-UHFFFAOYSA-N -1 3 350.603 3.424 20 0 FGADHM CC(C)CC(=O)Nc1ccc(C(=O)N=c2cc3ccccn3[n-]2)cc1F ZINC000561152184 505264451 /nfs/dbraw/zinc/26/44/51/505264451.db2.gz XQLCDKIVJFPMSE-UHFFFAOYSA-N -1 3 354.385 3.132 20 0 FGADHM CC(C)CCc1noc(-c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)n1 ZINC000557930735 505265754 /nfs/dbraw/zinc/26/57/54/505265754.db2.gz HLJAGCCTZXBFRK-UHFFFAOYSA-N -1 3 355.435 3.151 20 0 FGADHM O=C(NCc1ccccc1OC1CCCC1)c1c[n-]c2ccncc2c1=O ZINC000563942377 505283646 /nfs/dbraw/zinc/28/36/46/505283646.db2.gz DRGOAQYWMBSGBY-UHFFFAOYSA-N -1 3 363.417 3.175 20 0 FGADHM Cc1ccc([C@@H](CN=c2[n-]nc(-c3ccon3)s2)N2CCCC2)cc1 ZINC000563967097 505290811 /nfs/dbraw/zinc/29/08/11/505290811.db2.gz WKDBPPXCUYOEJX-MRXNPFEDSA-N -1 3 355.467 3.172 20 0 FGADHM Cc1nnc(CC[N-]S(=O)(=O)c2oc3ccc(Cl)cc3c2C)s1 ZINC000554912876 505297801 /nfs/dbraw/zinc/29/78/01/505297801.db2.gz RNMBRFQSZRCJMC-UHFFFAOYSA-N -1 3 371.871 3.076 20 0 FGADHM Cc1cc(Br)c(C(=O)NCc2ncccc2[O-])cc1Cl ZINC000561305828 505310077 /nfs/dbraw/zinc/31/00/77/505310077.db2.gz VLVHHEQUVFMIIR-UHFFFAOYSA-N -1 3 355.619 3.442 20 0 FGADHM O=C(NCc1ccc([O-])c(Br)c1)NCC1(C(F)(F)F)CC1 ZINC000558137698 505317509 /nfs/dbraw/zinc/31/75/09/505317509.db2.gz GGOKNXJPLRZSSL-UHFFFAOYSA-N -1 3 367.165 3.296 20 0 FGADHM CNS(=O)(=O)c1cccc(NCc2cc([O-])cc(C(F)(F)F)c2)c1C ZINC000554979624 505318759 /nfs/dbraw/zinc/31/87/59/505318759.db2.gz WNRSPPJXHIJAAD-UHFFFAOYSA-N -1 3 374.384 3.240 20 0 FGADHM C[C@H]1Oc2ccccc2[C@@H]1[N-]S(=O)(=O)Cc1ccc(Cl)c(F)c1 ZINC000561382433 505332079 /nfs/dbraw/zinc/33/20/79/505332079.db2.gz YYDPAZWNMATYMQ-QLJPJBMISA-N -1 3 355.818 3.421 20 0 FGADHM O=C([N-]c1nc2ccc(Cl)cn2n1)c1cscc1Br ZINC000564143486 505336705 /nfs/dbraw/zinc/33/67/05/505336705.db2.gz GUBYYUDJABVJPR-UHFFFAOYSA-N -1 3 357.620 3.459 20 0 FGADHM O=C([N-]c1n[nH]c(Cc2cccc(F)c2)n1)c1ccoc1C(F)(F)F ZINC000555085149 505345326 /nfs/dbraw/zinc/34/53/26/505345326.db2.gz PAEVOOMEUACJCP-UHFFFAOYSA-N -1 3 354.263 3.399 20 0 FGADHM O=C([O-])c1ccc(OC[C@H](O)CN2CCCCC[C@@H]2c2ccco2)cc1 ZINC000564218680 505355759 /nfs/dbraw/zinc/35/57/59/505355759.db2.gz ZMTUOYOFMOXQBP-SJLPKXTDSA-N -1 3 359.422 3.335 20 0 FGADHM Cc1cc([N-]S(=O)(=O)c2cccc(Br)c2Cl)ccn1 ZINC000555139983 505361648 /nfs/dbraw/zinc/36/16/48/505361648.db2.gz LPSLZLZWEOGUCA-UHFFFAOYSA-N -1 3 361.648 3.029 20 0 FGADHM O=S(=O)([N-]Cc1c(F)cccc1Cl)c1cccnc1C(F)(F)F ZINC000561502166 505362761 /nfs/dbraw/zinc/36/27/61/505362761.db2.gz VAHAXROHWUIACB-UHFFFAOYSA-N -1 3 368.739 3.371 20 0 FGADHM CCOc1ccncc1S(=O)(=O)[N-][C@@H](C)c1ccc(OC(F)F)cc1 ZINC000558343483 505363892 /nfs/dbraw/zinc/36/38/92/505363892.db2.gz CLOCALBCMSKHAR-NSHDSACASA-N -1 3 372.393 3.121 20 0 FGADHM C[C@@H](C[N-]S(=O)(=O)c1cccnc1C(F)(F)F)Cc1cccs1 ZINC000561520440 505367214 /nfs/dbraw/zinc/36/72/14/505367214.db2.gz BTECXHWHWSNVJT-SNVBAGLBSA-N -1 3 364.414 3.319 20 0 FGADHM CCc1cccc(C(=O)N2CCN(c3ccc(F)c(OC)c3)CC2)c1[O-] ZINC000555174321 505371390 /nfs/dbraw/zinc/37/13/90/505371390.db2.gz UHXOICSSUGAKCM-UHFFFAOYSA-N -1 3 358.413 3.065 20 0 FGADHM CC1([N-]S(=O)(=O)c2cc(Br)cc3cccnc32)CCC1 ZINC000561539918 505373229 /nfs/dbraw/zinc/37/32/29/505373229.db2.gz VGPVPHDRUKDLAK-UHFFFAOYSA-N -1 3 355.257 3.218 20 0 FGADHM O=S(=O)([N-][C@@H]1C[C@H]1c1ccc(F)cc1)c1cccnc1C(F)(F)F ZINC000561545199 505373547 /nfs/dbraw/zinc/37/35/47/505373547.db2.gz PVHSBADCOWCCGO-NWDGAFQWSA-N -1 3 360.332 3.074 20 0 FGADHM Cc1cc(C(=O)N2CCC[C@@H]2c2nc(=N)n(C)[n-]2)c(C)n1C1CCCCC1 ZINC000564294767 505374530 /nfs/dbraw/zinc/37/45/30/505374530.db2.gz KGAGVWIMSFDBBL-QGZVFWFLSA-N -1 3 370.501 3.129 20 0 FGADHM CC(C)c1ccc([C@H](C)CC(=O)N2CCC[C@@H]2c2nc(=N)n(C)[n-]2)cc1 ZINC000558401975 505378278 /nfs/dbraw/zinc/37/82/78/505378278.db2.gz XKUATVMLIFJUJI-RHSMWYFYSA-N -1 3 355.486 3.208 20 0 FGADHM CCOc1cc(-c2noc(Cc3cn4cccc(C)c4n3)n2)ccc1[O-] ZINC000567184953 505388362 /nfs/dbraw/zinc/38/83/62/505388362.db2.gz RLXZRCPNJYGCDK-UHFFFAOYSA-N -1 3 350.378 3.388 20 0 FGADHM CCCOc1ccc(Cl)cc1C(=O)N=c1[nH][n-]cc1Br ZINC000552070507 505389896 /nfs/dbraw/zinc/38/98/96/505389896.db2.gz SZOUKWOVRSEQKZ-UHFFFAOYSA-N -1 3 358.623 3.289 20 0 FGADHM C[C@]1(CNC(=O)N=c2[n-]nc(C3CC3)s2)CCCN1Cc1ccccc1 ZINC000567209643 505395079 /nfs/dbraw/zinc/39/50/79/505395079.db2.gz ISCBWRIRADBSAH-LJQANCHMSA-N -1 3 371.510 3.014 20 0 FGADHM COc1cccc(C(=O)Nc2ccc(N(C(C)=O)[C@@H]3C[C@@H]3C)cc2)c1[O-] ZINC000561648805 505399542 /nfs/dbraw/zinc/39/95/42/505399542.db2.gz LBFYDOPNXFEXPQ-YVEFUNNKSA-N -1 3 354.406 3.414 20 0 FGADHM O=C(CNC(=O)c1ccccc1OC(F)F)Nc1c([O-])cccc1Cl ZINC000567283178 505417760 /nfs/dbraw/zinc/41/77/60/505417760.db2.gz CIKKSJLGOZQGSM-UHFFFAOYSA-N -1 3 370.739 3.016 20 0 FGADHM COC1(CC[N-]S(=O)(=O)c2ccc(-c3csc(C)n3)s2)CCC1 ZINC000555377666 505421058 /nfs/dbraw/zinc/42/10/58/505421058.db2.gz YSAHIDHHTPOJSL-UHFFFAOYSA-N -1 3 372.537 3.418 20 0 FGADHM COC1(CC[N-]S(=O)(=O)c2csc(-c3ccccc3)n2)CCC1 ZINC000555376505 505421105 /nfs/dbraw/zinc/42/11/05/505421105.db2.gz JZOMKZFLZCTCEW-UHFFFAOYSA-N -1 3 352.481 3.048 20 0 FGADHM O=C(NCC1(c2ccc(F)cc2F)CC1)c1c[n-]nc1-c1ccccn1 ZINC000558558375 505423441 /nfs/dbraw/zinc/42/34/41/505423441.db2.gz VPWGRIAGOHIGJU-UHFFFAOYSA-N -1 3 354.360 3.212 20 0 FGADHM CO[C@H](C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C1CC1 ZINC000555418592 505428974 /nfs/dbraw/zinc/42/89/74/505428974.db2.gz KYDGDJRCWLCKJQ-LLVKDONJSA-N -1 3 357.781 3.062 20 0 FGADHM COCc1ccccc1CS(=O)(=O)[N-][C@H](c1ncc(C)s1)C1CC1 ZINC000564481399 505430233 /nfs/dbraw/zinc/43/02/33/505430233.db2.gz MRCPJUYTAMYMAR-INIZCTEOSA-N -1 3 366.508 3.169 20 0 FGADHM CCN(CC)c1ccc(-c2noc(-c3n[n-]nc3-c3ccccc3)n2)cn1 ZINC000561887891 505460097 /nfs/dbraw/zinc/46/00/97/505460097.db2.gz BQCSQLLZKKZQSU-UHFFFAOYSA-N -1 3 361.409 3.430 20 0 FGADHM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]12 ZINC000564607366 505467667 /nfs/dbraw/zinc/46/76/67/505467667.db2.gz KLOQZNKPIJSNDP-YNEHKIRRSA-N -1 3 362.426 3.133 20 0 FGADHM C[C@H](O)[C@@H]([N-]S(=O)(=O)CCc1cccc(Cl)c1)c1ccccc1F ZINC000567477366 505476088 /nfs/dbraw/zinc/47/60/88/505476088.db2.gz OFBOIIKDZGSIMS-YVEFUNNKSA-N -1 3 371.861 3.063 20 0 FGADHM COc1ccccc1[C@H](CC(C)C)NC(=O)c1c[n-]c2ccncc2c1=O ZINC000564639582 505479572 /nfs/dbraw/zinc/47/95/72/505479572.db2.gz RNPLHQNRVZPXNF-SFHVURJKSA-N -1 3 365.433 3.449 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CN3CCC(C)(C)C3)c2)n1 ZINC000564665790 505486555 /nfs/dbraw/zinc/48/65/55/505486555.db2.gz MMWUZFGNSBGQQK-UHFFFAOYSA-N -1 3 354.454 3.082 20 0 FGADHM CC1(C)CN(C(=O)c2ccc(C(=O)c3cccc([O-])c3)cc2)[C@@H]2COC[C@@H]21 ZINC000564711122 505499184 /nfs/dbraw/zinc/49/91/84/505499184.db2.gz KLYSWOKBHBGJJP-RBUKOAKNSA-N -1 3 365.429 3.120 20 0 FGADHM O=c1cc(CNc2ccc(F)cc2OC2CCOCC2)nc(C2CC2)[n-]1 ZINC000567594493 505508799 /nfs/dbraw/zinc/50/87/99/505508799.db2.gz FNFCEFLUBHGMID-UHFFFAOYSA-N -1 3 359.401 3.369 20 0 FGADHM NC(=O)c1ccc(OCC(F)F)c(NC(=O)c2cc([O-])ccc2Cl)c1 ZINC000552526850 505508852 /nfs/dbraw/zinc/50/88/52/505508852.db2.gz NNGBIZGLZQMHNV-UHFFFAOYSA-N -1 3 370.739 3.041 20 0 FGADHM CNS(=O)(=O)c1ccc(C)c(NCc2cc([O-])cc(C(F)(F)F)c2)c1 ZINC000562074029 505510288 /nfs/dbraw/zinc/51/02/88/505510288.db2.gz OIDKDPIHYFFGOU-UHFFFAOYSA-N -1 3 374.384 3.240 20 0 FGADHM COc1cc(-c2nc(-c3ccc4n[n-]nc4c3)no2)ccc1OC(F)F ZINC000558888341 505521629 /nfs/dbraw/zinc/52/16/29/505521629.db2.gz BRKPTVSPHLKOTQ-UHFFFAOYSA-N -1 3 359.292 3.285 20 0 FGADHM CC(C)c1nc([C@@H]2COCCN2Cc2cc([O-])cc(C(F)(F)F)c2)no1 ZINC000562213264 505541932 /nfs/dbraw/zinc/54/19/32/505541932.db2.gz WZRAAMYKKCLYGE-AWEZNQCLSA-N -1 3 371.359 3.491 20 0 FGADHM O=C(NCCCNC(=O)c1cccc([O-])c1)c1c[nH]c2cc(Cl)ccc12 ZINC000588927848 506384442 /nfs/dbraw/zinc/38/44/42/506384442.db2.gz ABKAGZMCYNGWTP-UHFFFAOYSA-N -1 3 371.824 3.077 20 0 FGADHM Cc1ccc(C)c2sc([N-]C(=O)c3ccc(S(C)(=O)=O)o3)nc21 ZINC000603040049 506394256 /nfs/dbraw/zinc/39/42/56/506394256.db2.gz FPGTWUPNWAAPOT-UHFFFAOYSA-N -1 3 350.421 3.162 20 0 FGADHM CCn1cc(S(=O)(=O)[N-][C@H]2C[C@H](c3ccc(Cl)cc3)C2)nc1C ZINC000582853534 506456277 /nfs/dbraw/zinc/45/62/77/506456277.db2.gz IEYKPXOKBDWTGR-CTYIDZIISA-N -1 3 353.875 3.089 20 0 FGADHM COC(=O)c1c(Cl)cccc1S(=O)(=O)[N-]CC[C@H]1CC=CCC1 ZINC000599446475 506459957 /nfs/dbraw/zinc/45/99/57/506459957.db2.gz VDBZJBJBCVSAER-LBPRGKRZSA-N -1 3 357.859 3.151 20 0 FGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccsc1 ZINC000599459138 506464831 /nfs/dbraw/zinc/46/48/31/506464831.db2.gz DQOWDMIEAHRCEZ-WCQYABFASA-N -1 3 371.867 3.023 20 0 FGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccsc2)c(Cl)c1 ZINC000599459806 506464883 /nfs/dbraw/zinc/46/48/83/506464883.db2.gz NKPJYEAWEWNATH-WCQYABFASA-N -1 3 371.867 3.023 20 0 FGADHM COC(=O)c1cnc([C@H]2CCCN(Cc3cccc(C(=O)[O-])c3)C2)s1 ZINC000596656344 506514616 /nfs/dbraw/zinc/51/46/16/506514616.db2.gz BLXGVUFZHIGFHX-AWEZNQCLSA-N -1 3 360.435 3.008 20 0 FGADHM CC(C)c1ccc(-n2cc([O-])c(C(=O)N3CCCN(C(C)C)CC3)n2)cc1 ZINC000608361319 506525909 /nfs/dbraw/zinc/52/59/09/506525909.db2.gz BAJLSWHZHDCIRF-UHFFFAOYSA-N -1 3 370.497 3.258 20 0 FGADHM O=S(=O)([N-]C[C@@H]1OCCc2ccccc21)c1ccc(Cl)cc1F ZINC000603506033 506533562 /nfs/dbraw/zinc/53/35/62/506533562.db2.gz DGIAGXVYZIDTQU-HNNXBMFYSA-N -1 3 355.818 3.071 20 0 FGADHM CC(C)(C)OC(=O)CCCNC(=O)c1cc([O-])cc(Br)c1 ZINC000599622023 506535017 /nfs/dbraw/zinc/53/50/17/506535017.db2.gz GJNXXZOOPWKTRN-UHFFFAOYSA-N -1 3 358.232 3.006 20 0 FGADHM CC(C)(Cc1ccc(Br)cc1)NC(=O)c1ccc2n[n-]nc2c1 ZINC000589572903 506588561 /nfs/dbraw/zinc/58/85/61/506588561.db2.gz QUYKVCDLLGJOBV-UHFFFAOYSA-N -1 3 373.254 3.472 20 0 FGADHM CSCC1(CC(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)CC1 ZINC000593393512 506595519 /nfs/dbraw/zinc/59/55/19/506595519.db2.gz WVYSUVNZEVVUHV-UHFFFAOYSA-N -1 3 362.495 3.103 20 0 FGADHM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(O[C@@H]3CC(=O)N3)cc2)cc1 ZINC000583125002 506601815 /nfs/dbraw/zinc/60/18/15/506601815.db2.gz LMEZLFWBMRYCAR-BFUOFWGJSA-N -1 3 374.462 3.226 20 0 FGADHM CC(=O)c1cccc(NC(=O)[C@H](O)Cc2cccc(C(F)(F)F)c2)c1[O-] ZINC000583136866 506609776 /nfs/dbraw/zinc/60/97/76/506609776.db2.gz WVMJCIPEOPEMKO-OAHLLOKOSA-N -1 3 367.323 3.156 20 0 FGADHM Cc1ccc2[nH]c([C@@H]3CCCN3C(=O)N=c3cc4ccccn4[n-]3)nc2c1 ZINC000583135642 506610573 /nfs/dbraw/zinc/61/05/73/506610573.db2.gz WWVMHOSJQHEAKN-KRWDZBQOSA-N -1 3 360.421 3.310 20 0 FGADHM Cc1ccc2nc([C@@H]3CCCN3C(=O)N=c3cc4ccccn4[n-]3)[nH]c2c1 ZINC000583135642 506610577 /nfs/dbraw/zinc/61/05/77/506610577.db2.gz WWVMHOSJQHEAKN-KRWDZBQOSA-N -1 3 360.421 3.310 20 0 FGADHM Cc1cc(Br)ccc1S(=O)(=O)[N-][C@@H](C1CC1)C(F)(F)F ZINC000583165181 506624336 /nfs/dbraw/zinc/62/43/36/506624336.db2.gz SARKIFXFISXCNX-NSHDSACASA-N -1 3 372.206 3.377 20 0 FGADHM O=C(CNC(=O)c1ccc([O-])cc1)N1CCC[C@@H]1Cc1ccccc1Cl ZINC000589690650 506629749 /nfs/dbraw/zinc/62/97/49/506629749.db2.gz HLIAVLLPUCGIMR-MRXNPFEDSA-N -1 3 372.852 3.009 20 0 FGADHM O=C(CNC(=O)c1ccc([O-])cc1)Nc1ccc2nc(C3CC3)sc2c1 ZINC000589692678 506631939 /nfs/dbraw/zinc/63/19/39/506631939.db2.gz FRHDLBVIDNTAKP-UHFFFAOYSA-N -1 3 367.430 3.248 20 0 FGADHM Cc1cccc(C2(CNC(=O)CNC(=O)c3ccc([O-])cc3)CCCC2)c1 ZINC000589693647 506632794 /nfs/dbraw/zinc/63/27/94/506632794.db2.gz CNJMUGWHOVFDGY-UHFFFAOYSA-N -1 3 366.461 3.059 20 0 FGADHM CCOC(=O)c1ncc(NC(=O)[C@@H](C)c2cccc(Br)c2)[n-]1 ZINC000589716088 506637842 /nfs/dbraw/zinc/63/78/42/506637842.db2.gz KLDUDUXCEADBHE-VIFPVBQESA-N -1 3 366.215 3.091 20 0 FGADHM CCOC(=O)c1nc(NC(=O)[C@@H](C)c2cccc(Br)c2)c[n-]1 ZINC000589716088 506637846 /nfs/dbraw/zinc/63/78/46/506637846.db2.gz KLDUDUXCEADBHE-VIFPVBQESA-N -1 3 366.215 3.091 20 0 FGADHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1ccc2c(c1)C(C)(C)CCC2(C)C ZINC000603889015 506650050 /nfs/dbraw/zinc/65/00/50/506650050.db2.gz ZDVPSJBEWDFYLD-OAHLLOKOSA-N -1 3 355.482 3.277 20 0 FGADHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-]CC[C@@H]2CCCC[C@@H]2C)s1 ZINC000603946058 506668606 /nfs/dbraw/zinc/66/86/06/506668606.db2.gz MRJBJFAQFNSWOY-GUTXKFCHSA-N -1 3 372.556 3.440 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]C2(Cc3ccccc3)CCOCC2)c(F)c1 ZINC000583304013 506706210 /nfs/dbraw/zinc/70/62/10/506706210.db2.gz OGRWMRCXEWYPDA-UHFFFAOYSA-N -1 3 363.454 3.204 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)c1ccc(C(=O)OC)s1)c1ccccc1F ZINC000593642203 506710715 /nfs/dbraw/zinc/71/07/15/506710715.db2.gz KLGJTHNOKUENBN-LBPRGKRZSA-N -1 3 357.428 3.103 20 0 FGADHM CN(Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)C[C@@H]1CCCO1 ZINC000590063581 506721371 /nfs/dbraw/zinc/72/13/71/506721371.db2.gz QHDTWJCJINKMPY-SFHVURJKSA-N -1 3 360.479 3.098 20 0 FGADHM COC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)CCc2ccccc2)s1 ZINC000608980868 506758280 /nfs/dbraw/zinc/75/82/80/506758280.db2.gz PJHQIDNJIQJYGD-UHFFFAOYSA-N -1 3 367.492 3.224 20 0 FGADHM O=C1[N-][C@@](c2ccccc2)(C(F)(F)F)C(=O)N1Cc1ccc(F)c(F)c1 ZINC000590212801 506764695 /nfs/dbraw/zinc/76/46/95/506764695.db2.gz QESXRUJOGWALKK-MRXNPFEDSA-N -1 3 370.277 3.474 20 0 FGADHM CCCS(=O)(=O)[N-]c1cc(NC(=O)CCC(C)(F)F)c(F)cc1F ZINC000600093661 506772834 /nfs/dbraw/zinc/77/28/34/506772834.db2.gz KOAOBUPCIJKYOZ-UHFFFAOYSA-N -1 3 370.368 3.490 20 0 FGADHM O=C(N[C@@H]1CC12CC2)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000583495561 506810429 /nfs/dbraw/zinc/81/04/29/506810429.db2.gz LJDXXESTPWGVNU-LLVKDONJSA-N -1 3 367.630 3.226 20 0 FGADHM O=C(N[C@@H]1CC12CC2)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000583495561 506810435 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CC(C)(C)n1cc(Br)c(C(=O)Nc2cc(F)ccc2[O-])n1 ZINC000613028272 506873273 /nfs/dbraw/zinc/87/32/73/506873273.db2.gz ONZVFSBOLFOUSC-UHFFFAOYSA-N -1 3 356.195 3.498 20 0 FGADHM CCC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(NC(C)=O)cc1F ZINC000590610484 506879347 /nfs/dbraw/zinc/87/93/47/506879347.db2.gz UDTSWNYZBHOMPE-XJKSGUPXSA-N -1 3 356.463 3.421 20 0 FGADHM COC(=O)C1CCC(NC(=O)CCc2ccc3ccccc3c2[O-])CC1 ZINC000590632029 506888860 /nfs/dbraw/zinc/88/88/60/506888860.db2.gz BJKZYZZVCJZGPW-UHFFFAOYSA-N -1 3 355.434 3.326 20 0 FGADHM O=C(CSc1n[n-]c(-c2ccccn2)n1)c1ccc(C(F)(F)F)cn1 ZINC000583648458 506893970 /nfs/dbraw/zinc/89/39/70/506893970.db2.gz KWZCODMPMVBGJQ-UHFFFAOYSA-N -1 3 365.340 3.256 20 0 FGADHM CC(C)(C)C(=O)N=c1cc(-c2ccc(I)cc2)[n-][nH]1 ZINC000609488695 506898478 /nfs/dbraw/zinc/89/84/78/506898478.db2.gz JJPCQAHBKHGHJD-UHFFFAOYSA-N -1 3 369.206 3.088 20 0 FGADHM C[C@@H](CC(C)(C)C)c1nc(-c2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)no1 ZINC000583685932 506916766 /nfs/dbraw/zinc/91/67/66/506916766.db2.gz 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/nfs/dbraw/zinc/68/77/71/515687771.db2.gz IPJZXRYHDYIBGJ-SFHVURJKSA-N -1 3 370.522 3.358 20 0 FGADHM CC(=O)c1cccc(OCCCC(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)c1 ZINC000473844433 515771284 /nfs/dbraw/zinc/77/12/84/515771284.db2.gz BCAMBJBWQHURQQ-KRWDZBQOSA-N -1 3 357.410 3.262 20 0 FGADHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)c1cnc(Oc2ccccc2)cn1 ZINC000473855735 515777380 /nfs/dbraw/zinc/77/73/80/515777380.db2.gz JOISKMPJYMPWAK-OAHLLOKOSA-N -1 3 351.366 3.096 20 0 FGADHM COc1cccc(-c2nc(C(=O)N=c3cc([C@H]4CCCO4)[n-][nH]3)c(C)[nH]2)c1 ZINC000473858709 515779398 /nfs/dbraw/zinc/77/93/98/515779398.db2.gz RLQRAFDLZKSNLS-OAHLLOKOSA-N -1 3 367.409 3.221 20 0 FGADHM COc1cc[nH]c(=O)c1C(=O)N=c1cc(-c2cc(C)c(C)cc2C)[n-][nH]1 ZINC000487566274 515907034 /nfs/dbraw/zinc/90/70/34/515907034.db2.gz CJVXOMDJPTXHNW-UHFFFAOYSA-N -1 3 352.394 3.363 20 0 FGADHM CCN(CC)C(=O)N1CCC(C(=O)N=c2cc(-c3ccccc3)[n-][nH]2)CC1 ZINC000497574773 516326972 /nfs/dbraw/zinc/32/69/72/516326972.db2.gz LDVUXIRDNRZNJW-UHFFFAOYSA-N -1 3 369.469 3.189 20 0 FGADHM Cc1cc(=NC(=O)NCc2cn3ccsc3n2)[n-]n1-c1ccccc1 ZINC000540136342 516454157 /nfs/dbraw/zinc/45/41/57/516454157.db2.gz NXDUGKRERNERAC-UHFFFAOYSA-N -1 3 352.423 3.212 20 0 FGADHM O=C(N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1)c1cccc(-n2ccnn2)c1 ZINC000535904139 516550834 /nfs/dbraw/zinc/55/08/34/516550834.db2.gz CWUKQCHKSUYTOD-UHFFFAOYSA-N -1 3 366.331 3.188 20 0 FGADHM Cc1ccccc1CN1CCC(NC(=O)N=c2ncn(C(C)(C)C)[n-]2)CC1 ZINC000544315683 516696013 /nfs/dbraw/zinc/69/60/13/516696013.db2.gz FDVOFYIVQFDONH-UHFFFAOYSA-N -1 3 370.501 3.128 20 0 FGADHM COc1cc(=NC(=O)N2CCCCC[C@H]2Cc2cccc(OC)c2)[n-]n1C ZINC000529067918 516901318 /nfs/dbraw/zinc/90/13/18/516901318.db2.gz JYIDZNSANWVKCF-INIZCTEOSA-N -1 3 372.469 3.457 20 0 FGADHM COc1ccc(-c2noc(=NCC3CCN(c4ccncc4)CC3)[n-]2)cc1 ZINC000514653645 516980921 /nfs/dbraw/zinc/98/09/21/516980921.db2.gz OFXMDKODZQWELO-UHFFFAOYSA-N -1 3 365.437 3.469 20 0 FGADHM C[C@H]1C[C@@H](C(=O)N=c2cc(-c3cc(Cl)cc(Cl)c3)[n-][nH]2)CC(=O)N1 ZINC000541725413 517188029 /nfs/dbraw/zinc/18/80/29/517188029.db2.gz BAJMUGZBRPYZTI-WCBMZHEXSA-N -1 3 367.236 3.237 20 0 FGADHM Cc1oc(-c2ccccc2)nc1CC(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000525967892 517263296 /nfs/dbraw/zinc/26/32/96/517263296.db2.gz FZZLZOBYVZNCGV-INIZCTEOSA-N -1 3 352.394 3.406 20 0 FGADHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1ccc(N2CCCCCC2)nc1 ZINC000526959821 517412294 /nfs/dbraw/zinc/41/22/94/517412294.db2.gz LRZZIRFAPRSYMM-INIZCTEOSA-N -1 3 355.442 3.289 20 0 FGADHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)c1ccc(F)cc1Br ZINC000527208011 517562612 /nfs/dbraw/zinc/56/26/12/517562612.db2.gz FVVGLTQKQFGZPQ-GFCCVEGCSA-N -1 3 354.179 3.415 20 0 FGADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)[C@@H]2CC23CCOCC3)[nH][n-]1 ZINC000530897090 518038911 /nfs/dbraw/zinc/03/89/11/518038911.db2.gz KEICGVXLRNWLJY-ZDUSSCGKSA-N -1 3 361.829 3.494 20 0 FGADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)[C@@H](C)c2cnn(C)c2)[nH][n-]1 ZINC000530938695 518059636 /nfs/dbraw/zinc/05/96/36/518059636.db2.gz MFOGMXKONXMSHO-JTQLQIEISA-N -1 3 359.817 3.214 20 0 FGADHM COc1ccccc1-c1cc(=NC(=O)CCCOc2cccnc2)[nH][n-]1 ZINC000608357977 519945663 /nfs/dbraw/zinc/94/56/63/519945663.db2.gz GNZYAOOOTAUPID-UHFFFAOYSA-N -1 3 352.394 3.278 20 0 FGADHM CCS[C@H]1CCCC[C@H]1NC(=O)N=c1[n-]n(C)cc1Br ZINC000603044364 520044456 /nfs/dbraw/zinc/04/44/56/520044456.db2.gz PHJBREGUSGAWFU-MNOVXSKESA-N -1 3 361.309 3.368 20 0 FGADHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)c1ccn2cc(C(F)(F)F)nc2c1 ZINC000616824861 520164307 /nfs/dbraw/zinc/16/43/07/520164307.db2.gz PMJYBPXNOJCXKN-LLVKDONJSA-N -1 3 365.315 3.180 20 0 FGADHM O=C(Cc1sccc1Br)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000616824645 520164365 /nfs/dbraw/zinc/16/43/65/520164365.db2.gz LEMQVTNKFCPNMP-JTQLQIEISA-N -1 3 356.245 3.266 20 0 FGADHM CCN=c1[n-]c(C(=O)N2CCC(Oc3cncc(Cl)c3)CC2)cs1 ZINC000615093736 521265104 /nfs/dbraw/zinc/26/51/04/521265104.db2.gz GNAUFMDDKRVKPS-UHFFFAOYSA-N -1 3 366.874 3.307 20 0 FGADHM C[C@H](C(=O)N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1)[C@@H]1CCC(=O)N1 ZINC000626053098 521890559 /nfs/dbraw/zinc/89/05/59/521890559.db2.gz PEUQHFNSUFTVDN-UFBFGSQYSA-N -1 3 367.236 3.237 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@@H]2CC(=O)N[C@@H]3CCCC[C@@H]32)c1-c1ccc(C)cc1 ZINC000630021397 522586807 /nfs/dbraw/zinc/58/68/07/522586807.db2.gz GTRCCDDMUNYYKI-BRWVUGGUSA-N -1 3 366.465 3.327 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@@H](C)N(C)CC(F)(F)F)c1-c1ccc(F)cc1 ZINC000630028845 522590633 /nfs/dbraw/zinc/59/06/33/522590633.db2.gz URNCOCAOTCGOKR-SNVBAGLBSA-N -1 3 358.339 3.345 20 0 FGADHM O=C(CCCc1ccc2c(c1)OCCCO2)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000628032144 523281944 /nfs/dbraw/zinc/28/19/44/523281944.db2.gz OMXYDAZWOJDLLF-MRXNPFEDSA-N -1 3 371.437 3.384 20 0 FGADHM O=C(N=c1cc(-c2cccc(Cl)c2)[n-][nH]1)c1ccc2c(c1)OCC(=O)N2 ZINC000622892270 523534666 /nfs/dbraw/zinc/53/46/66/523534666.db2.gz JDAOQSKYBBKNTN-UHFFFAOYSA-N -1 3 368.780 3.313 20 0 FGADHM C[C@H](CNC(=O)N=c1[n-]nc(CC(F)(F)F)s1)N1CCCC[C@H]1C ZINC000483983225 561288814 /nfs/dbraw/zinc/28/88/14/561288814.db2.gz HPQDCBGTGYSQJR-NXEZZACHSA-N -1 3 365.425 3.027 20 0 FGADHM C[C@@H]1CCC[C@@H](C)N1CCNC(=O)N=c1[n-]nc(CC(F)(F)F)s1 ZINC000483990776 561289046 /nfs/dbraw/zinc/28/90/46/561289046.db2.gz YXKQYGCVZIYRKM-NXEZZACHSA-N -1 3 365.425 3.027 20 0 FGADHM COc1ccc(=NC(=O)N(C)[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)[n-]n1 ZINC000499530285 561552962 /nfs/dbraw/zinc/55/29/62/561552962.db2.gz SEEPDRBBQXQKDM-RDJZCZTQSA-N -1 3 369.469 3.002 20 0 FGADHM CN(C)[C@H](C(=O)N=c1[n-]n(C)cc1Br)c1cccc(Cl)c1 ZINC000517032505 562072367 /nfs/dbraw/zinc/07/23/67/562072367.db2.gz ZRODLRJSEGUQHJ-LBPRGKRZSA-N -1 3 371.666 3.077 20 0 FGADHM O=C(CCn1ccnn1)N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1 ZINC000527051508 562274794 /nfs/dbraw/zinc/27/47/94/562274794.db2.gz UVRIQFVGSWTKPE-UHFFFAOYSA-N -1 3 351.197 3.004 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@@H]2CCc3cnn(C)c3C2)c1-c1ccc(F)cc1 ZINC000530277437 562405093 /nfs/dbraw/zinc/40/50/93/562405093.db2.gz RMKSIFOPZDTARR-CYBMUJFWSA-N -1 3 353.401 3.001 20 0 FGADHM CCOC(=O)c1ncc(NC(=O)c2cccc(Br)c2Cl)[n-]1 ZINC000617876652 568162581 /nfs/dbraw/zinc/16/25/81/568162581.db2.gz YVWHFGBORAVJII-UHFFFAOYSA-N -1 3 372.606 3.255 20 0 FGADHM CCOC(=O)c1nc(NC(=O)c2cccc(Br)c2Cl)c[n-]1 ZINC000617876652 568162583 /nfs/dbraw/zinc/16/25/83/568162583.db2.gz YVWHFGBORAVJII-UHFFFAOYSA-N -1 3 372.606 3.255 20 0 FGADHM O=C(c1cc(OCc2ccccc2)ccc1[O-])N1CCC(C2(O)CC2)CC1 ZINC000652661972 568326993 /nfs/dbraw/zinc/32/69/93/568326993.db2.gz DTSCPMJYOBSFOH-UHFFFAOYSA-N -1 3 367.445 3.348 20 0 FGADHM CCOc1ccc(N(C)C(=O)CSc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736643991 598835532 /nfs/dbraw/zinc/83/55/32/598835532.db2.gz CXZQAKHMDLNCBZ-UHFFFAOYSA-N -1 3 369.450 3.021 20 0 FGADHM CCOc1ccc(N(C)C(=O)CSc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736643991 598835533 /nfs/dbraw/zinc/83/55/33/598835533.db2.gz CXZQAKHMDLNCBZ-UHFFFAOYSA-N -1 3 369.450 3.021 20 0 FGADHM O=C(NCCc1ccc(F)cc1Cl)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000738087648 598839536 /nfs/dbraw/zinc/83/95/36/598839536.db2.gz JEHQSHBLEOXKFN-UHFFFAOYSA-N -1 3 360.780 3.023 20 0 FGADHM O=C(NCCc1ccc(F)cc1Cl)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000738087648 598839538 /nfs/dbraw/zinc/83/95/38/598839538.db2.gz JEHQSHBLEOXKFN-UHFFFAOYSA-N -1 3 360.780 3.023 20 0 FGADHM c1ccc(-c2noc(CCCCOc3cccc(-c4nnn[n-]4)c3)n2)cc1 ZINC000738427980 598859296 /nfs/dbraw/zinc/85/92/96/598859296.db2.gz ZVQXASSTKFOJEG-UHFFFAOYSA-N -1 3 362.393 3.318 20 0 FGADHM c1ccc(-c2noc(CCCCOc3cccc(-c4nn[n-]n4)c3)n2)cc1 ZINC000738427980 598859298 /nfs/dbraw/zinc/85/92/98/598859298.db2.gz ZVQXASSTKFOJEG-UHFFFAOYSA-N -1 3 362.393 3.318 20 0 FGADHM COC(=O)[C@@H](N[C@@H](C)c1cccc(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736894006 598878430 /nfs/dbraw/zinc/87/84/30/598878430.db2.gz FCIWZONATNXBSI-ZBEGNZNMSA-N -1 3 371.828 3.085 20 0 FGADHM COC(=O)[C@@H](N[C@@H](C)c1cccc(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736894006 598878431 /nfs/dbraw/zinc/87/84/31/598878431.db2.gz FCIWZONATNXBSI-ZBEGNZNMSA-N -1 3 371.828 3.085 20 0 FGADHM O=C(NCC1(c2cccc(Cl)c2)CC1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000738037284 598889267 /nfs/dbraw/zinc/88/92/67/598889267.db2.gz CTBVPDVFJXXHJG-UHFFFAOYSA-N -1 3 368.828 3.373 20 0 FGADHM O=C(NCC1(c2cccc(Cl)c2)CC1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000738037284 598889269 /nfs/dbraw/zinc/88/92/69/598889269.db2.gz CTBVPDVFJXXHJG-UHFFFAOYSA-N -1 3 368.828 3.373 20 0 FGADHM COC(=O)[C@@H](OC(=O)C[C@@H](C)CC(C)(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736896303 598897530 /nfs/dbraw/zinc/89/75/30/598897530.db2.gz HXSKELXYVRNDKI-WBMJQRKESA-N -1 3 374.441 3.086 20 0 FGADHM COC(=O)[C@@H](OC(=O)C[C@@H](C)CC(C)(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736896303 598897531 /nfs/dbraw/zinc/89/75/31/598897531.db2.gz HXSKELXYVRNDKI-WBMJQRKESA-N -1 3 374.441 3.086 20 0 FGADHM C[C@@H]1CCCC[C@H]1CCNC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000736258884 598906931 /nfs/dbraw/zinc/90/69/31/598906931.db2.gz CCKAFPIGOSVNNR-ZBFHGGJFSA-N -1 3 373.526 3.433 20 0 FGADHM C[C@@H]1CCCC[C@H]1CCNC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000736258884 598906932 /nfs/dbraw/zinc/90/69/32/598906932.db2.gz CCKAFPIGOSVNNR-ZBFHGGJFSA-N -1 3 373.526 3.433 20 0 FGADHM CC(C)[C@@H](C)NC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000735706429 598925695 /nfs/dbraw/zinc/92/56/95/598925695.db2.gz AGQISAXEDHXMNY-CQSZACIVSA-N -1 3 365.437 3.220 20 0 FGADHM CC(C)[C@@H](C)NC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000735706429 598925696 /nfs/dbraw/zinc/92/56/96/598925696.db2.gz AGQISAXEDHXMNY-CQSZACIVSA-N -1 3 365.437 3.220 20 0 FGADHM CC(C)CN(C)C(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000735827408 598925991 /nfs/dbraw/zinc/92/59/91/598925991.db2.gz MSXUAFXZMRWSPQ-UHFFFAOYSA-N -1 3 365.437 3.174 20 0 FGADHM CC(C)CN(C)C(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000735827408 598925992 /nfs/dbraw/zinc/92/59/92/598925992.db2.gz MSXUAFXZMRWSPQ-UHFFFAOYSA-N -1 3 365.437 3.174 20 0 FGADHM CCN(C(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1)C1CC1 ZINC000736509656 598926221 /nfs/dbraw/zinc/92/62/21/598926221.db2.gz ZDSXWNQNSUHZCJ-UHFFFAOYSA-N -1 3 363.421 3.070 20 0 FGADHM CCN(C(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1)C1CC1 ZINC000736509656 598926223 /nfs/dbraw/zinc/92/62/23/598926223.db2.gz ZDSXWNQNSUHZCJ-UHFFFAOYSA-N -1 3 363.421 3.070 20 0 FGADHM Cc1nn(-c2ccccc2)c(C)c1Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC000737502877 598936380 /nfs/dbraw/zinc/93/63/80/598936380.db2.gz CSBCPOUCDGYLED-UHFFFAOYSA-N -1 3 366.816 3.461 20 0 FGADHM Cc1nn(-c2ccccc2)c(C)c1Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC000737502877 598936383 /nfs/dbraw/zinc/93/63/83/598936383.db2.gz CSBCPOUCDGYLED-UHFFFAOYSA-N -1 3 366.816 3.461 20 0 FGADHM Oc1ccc(C2CCN(c3ncc(-c4nnn[n-]4)cc3Cl)CC2)cc1 ZINC000738398758 598936829 /nfs/dbraw/zinc/93/68/29/598936829.db2.gz YGAYLXHOHSWKJY-UHFFFAOYSA-N -1 3 356.817 3.005 20 0 FGADHM Oc1ccc(C2CCN(c3ncc(-c4nn[n-]n4)cc3Cl)CC2)cc1 ZINC000738398758 598936831 /nfs/dbraw/zinc/93/68/31/598936831.db2.gz YGAYLXHOHSWKJY-UHFFFAOYSA-N -1 3 356.817 3.005 20 0 FGADHM Cc1ccc(OC(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000737365721 598942827 /nfs/dbraw/zinc/94/28/27/598942827.db2.gz SHGDSUPPSKYWML-LLVKDONJSA-N -1 3 358.785 3.201 20 0 FGADHM Cc1ccc(OC(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000737365721 598942828 /nfs/dbraw/zinc/94/28/28/598942828.db2.gz SHGDSUPPSKYWML-LLVKDONJSA-N -1 3 358.785 3.201 20 0 FGADHM CC(C)C[C@@H]1CCCCCN1C(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000735794938 598943468 /nfs/dbraw/zinc/94/34/68/598943468.db2.gz IRAIVEWEERRVAX-RDJZCZTQSA-N -1 3 371.485 3.451 20 0 FGADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OCc1sc(C)nc1C ZINC000821699200 599382157 /nfs/dbraw/zinc/38/21/57/599382157.db2.gz GEEHBZKEMQYGDG-UHFFFAOYSA-N -1 3 351.819 3.181 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NCc1cn(-c2ccc(Cl)cc2)nn1 ZINC000822221536 607256049 /nfs/dbraw/zinc/25/60/49/607256049.db2.gz SWBBHKGXBVFZTM-UHFFFAOYSA-N -1 3 366.816 3.021 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NCc1cn(-c2ccc(Cl)cc2)nn1 ZINC000822221536 607256050 /nfs/dbraw/zinc/25/60/50/607256050.db2.gz SWBBHKGXBVFZTM-UHFFFAOYSA-N -1 3 366.816 3.021 20 0 FGADHM CCN(C(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1)C1CC1 ZINC000736508853 598987991 /nfs/dbraw/zinc/98/79/91/598987991.db2.gz PBIWNHFBOVQEHJ-UHFFFAOYSA-N -1 3 363.421 3.070 20 0 FGADHM CCN(C(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1)C1CC1 ZINC000736508853 598987993 /nfs/dbraw/zinc/98/79/93/598987993.db2.gz PBIWNHFBOVQEHJ-UHFFFAOYSA-N -1 3 363.421 3.070 20 0 FGADHM O=C(CCC1CC1)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000737824245 598991163 /nfs/dbraw/zinc/99/11/63/598991163.db2.gz OHHXPPHNWHUZIG-UHFFFAOYSA-N -1 3 350.382 3.183 20 0 FGADHM O=C(CCC1CC1)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000737824245 598991165 /nfs/dbraw/zinc/99/11/65/598991165.db2.gz OHHXPPHNWHUZIG-UHFFFAOYSA-N -1 3 350.382 3.183 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H]1CCC[C@@H](CC)C1 ZINC000736633798 599020786 /nfs/dbraw/zinc/02/07/86/599020786.db2.gz FHIYIYWRBKTLLK-TZMCWYRMSA-N -1 3 358.446 3.356 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@H]1CCC[C@@H](CC)C1 ZINC000736633798 599020788 /nfs/dbraw/zinc/02/07/88/599020788.db2.gz FHIYIYWRBKTLLK-TZMCWYRMSA-N -1 3 358.446 3.356 20 0 FGADHM O=C(O[C@@H]1CCSC1)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738218020 599027358 /nfs/dbraw/zinc/02/73/58/599027358.db2.gz DBSPYBBYMVTBKJ-MRXNPFEDSA-N -1 3 367.434 3.273 20 0 FGADHM CCOCCCOC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736616568 599028686 /nfs/dbraw/zinc/02/86/86/599028686.db2.gz TUCMNNAUHAZTJC-UHFFFAOYSA-N -1 3 367.409 3.194 20 0 FGADHM CCCCC[C@H](NC(=O)CNc1ccc(-c2nn[n-]n2)cc1)C(C)(C)C ZINC000736440256 599034411 /nfs/dbraw/zinc/03/44/11/599034411.db2.gz BPFNKXXPXRDGSI-INIZCTEOSA-N -1 3 358.490 3.390 20 0 FGADHM CCCCC[C@@H](NC(=O)CNc1ccc(-c2nn[n-]n2)cc1)C(C)(C)C ZINC000736440257 599034502 /nfs/dbraw/zinc/03/45/02/599034502.db2.gz BPFNKXXPXRDGSI-MRXNPFEDSA-N -1 3 358.490 3.390 20 0 FGADHM Cc1cccc(OCCNc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)c1 ZINC000737412431 599040395 /nfs/dbraw/zinc/04/03/95/599040395.db2.gz ZEAYVXYIUYFZND-UHFFFAOYSA-N -1 3 364.331 3.080 20 0 FGADHM Cc1cccc(OCCNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)c1 ZINC000737412431 599040398 /nfs/dbraw/zinc/04/03/98/599040398.db2.gz ZEAYVXYIUYFZND-UHFFFAOYSA-N -1 3 364.331 3.080 20 0 FGADHM C[C@@H](CNc1c(-c2nnn[n-]2)cnc2ccccc21)Cc1cccs1 ZINC000820275817 599040671 /nfs/dbraw/zinc/04/06/71/599040671.db2.gz SCPNQXXIVHIVET-GFCCVEGCSA-N -1 3 350.451 3.189 20 0 FGADHM C[C@@H](CNc1c(-c2nn[n-]n2)cnc2ccccc21)Cc1cccs1 ZINC000820275817 599040674 /nfs/dbraw/zinc/04/06/74/599040674.db2.gz SCPNQXXIVHIVET-GFCCVEGCSA-N -1 3 350.451 3.189 20 0 FGADHM Cc1ccccc1OCCNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000737431961 599047068 /nfs/dbraw/zinc/04/70/68/599047068.db2.gz OBWSQJWFIQQCEE-UHFFFAOYSA-N -1 3 364.331 3.080 20 0 FGADHM Cc1ccccc1OCCNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000737431961 599047070 /nfs/dbraw/zinc/04/70/70/599047070.db2.gz OBWSQJWFIQQCEE-UHFFFAOYSA-N -1 3 364.331 3.080 20 0 FGADHM Fc1ccc(CNc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)c(F)c1 ZINC000737651455 599049803 /nfs/dbraw/zinc/04/98/03/599049803.db2.gz XDKVQTSXONOCHE-UHFFFAOYSA-N -1 3 356.258 3.171 20 0 FGADHM Fc1ccc(CNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)c(F)c1 ZINC000737651455 599049807 /nfs/dbraw/zinc/04/98/07/599049807.db2.gz XDKVQTSXONOCHE-UHFFFAOYSA-N -1 3 356.258 3.171 20 0 FGADHM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ncc(-c2ccccc2)o1 ZINC000736161985 599056369 /nfs/dbraw/zinc/05/63/69/599056369.db2.gz YCNUXQXEZZCTAK-LBPRGKRZSA-N -1 3 361.361 3.440 20 0 FGADHM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ncc(-c2ccccc2)o1 ZINC000736161985 599056372 /nfs/dbraw/zinc/05/63/72/599056372.db2.gz YCNUXQXEZZCTAK-LBPRGKRZSA-N -1 3 361.361 3.440 20 0 FGADHM C[C@@H](NC(=O)Nc1cc(F)c(F)c(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736118749 599058073 /nfs/dbraw/zinc/05/80/73/599058073.db2.gz VULCKTCGRAXFLF-MRVPVSSYSA-N -1 3 362.315 3.167 20 0 FGADHM C[C@@H](NC(=O)Nc1cc(F)c(F)c(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736118749 599058076 /nfs/dbraw/zinc/05/80/76/599058076.db2.gz VULCKTCGRAXFLF-MRVPVSSYSA-N -1 3 362.315 3.167 20 0 FGADHM COc1cccc(O[C@H](C)CNc2c(F)cc(-c3nnn[n-]3)cc2F)c1 ZINC000821872781 599062707 /nfs/dbraw/zinc/06/27/07/599062707.db2.gz PZGVDBLMLFFCBE-SNVBAGLBSA-N -1 3 361.352 3.033 20 0 FGADHM COc1cccc(O[C@H](C)CNc2c(F)cc(-c3nn[n-]n3)cc2F)c1 ZINC000821872781 599062710 /nfs/dbraw/zinc/06/27/10/599062710.db2.gz PZGVDBLMLFFCBE-SNVBAGLBSA-N -1 3 361.352 3.033 20 0 FGADHM Cc1ccc(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2F)c(C)c1 ZINC000737357660 599066192 /nfs/dbraw/zinc/06/61/92/599066192.db2.gz QSCTUZJABVFTKP-UHFFFAOYSA-N -1 3 357.414 3.353 20 0 FGADHM Cc1ccc(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2F)c(C)c1 ZINC000737357660 599066194 /nfs/dbraw/zinc/06/61/94/599066194.db2.gz QSCTUZJABVFTKP-UHFFFAOYSA-N -1 3 357.414 3.353 20 0 FGADHM C[C@@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(=O)N[C@H](C)c1ccccc1 ZINC000736194226 599067379 /nfs/dbraw/zinc/06/73/79/599067379.db2.gz YDYLEXCVTXELBR-VXGBXAGGSA-N -1 3 371.441 3.364 20 0 FGADHM C[C@@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(=O)N[C@H](C)c1ccccc1 ZINC000736194226 599067381 /nfs/dbraw/zinc/06/73/81/599067381.db2.gz YDYLEXCVTXELBR-VXGBXAGGSA-N -1 3 371.441 3.364 20 0 FGADHM C[C@H]1CCC[C@H](C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)C1 ZINC000736244760 599074466 /nfs/dbraw/zinc/07/44/66/599074466.db2.gz MXUXREVWVZFNBN-ONGXEEELSA-N -1 3 351.357 3.233 20 0 FGADHM C[C@H]1CCC[C@H](C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)C1 ZINC000736244760 599074469 /nfs/dbraw/zinc/07/44/69/599074469.db2.gz MXUXREVWVZFNBN-ONGXEEELSA-N -1 3 351.357 3.233 20 0 FGADHM O[C@@H](CCNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccccc1 ZINC000823673402 599085739 /nfs/dbraw/zinc/08/57/39/599085739.db2.gz LRTJSZUPNKQOIU-HNNXBMFYSA-N -1 3 363.343 3.421 20 0 FGADHM O[C@@H](CCNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccccc1 ZINC000823673402 599085742 /nfs/dbraw/zinc/08/57/42/599085742.db2.gz LRTJSZUPNKQOIU-HNNXBMFYSA-N -1 3 363.343 3.421 20 0 FGADHM C[C@@H]1CCC[C@H](C)CN1C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736244558 599087226 /nfs/dbraw/zinc/08/72/26/599087226.db2.gz KCDMNIYZLSGWDB-JKSUJKDBSA-N -1 3 371.485 3.453 20 0 FGADHM C[C@@H]1CCC[C@H](C)CN1C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736244558 599087229 /nfs/dbraw/zinc/08/72/29/599087229.db2.gz KCDMNIYZLSGWDB-JKSUJKDBSA-N -1 3 371.485 3.453 20 0 FGADHM C[C@H](CNc1nc2c(cc1-c1nnn[n-]1)CCC2)c1ccc(F)cc1F ZINC000820280981 599097149 /nfs/dbraw/zinc/09/71/49/599097149.db2.gz QNEJWQMMWQFUCN-SNVBAGLBSA-N -1 3 356.380 3.244 20 0 FGADHM C[C@H](CNc1nc2c(cc1-c1nn[n-]n1)CCC2)c1ccc(F)cc1F ZINC000820280981 599097152 /nfs/dbraw/zinc/09/71/52/599097152.db2.gz QNEJWQMMWQFUCN-SNVBAGLBSA-N -1 3 356.380 3.244 20 0 FGADHM CC(=O)c1cccc(NC(=O)[C@@H](C)Sc2ccccc2-c2nnn[n-]2)c1 ZINC000735500073 599107374 /nfs/dbraw/zinc/10/73/74/599107374.db2.gz XIURTEYREUHOLA-GFCCVEGCSA-N -1 3 367.434 3.189 20 0 FGADHM CC(=O)c1cccc(NC(=O)[C@@H](C)Sc2ccccc2-c2nn[n-]n2)c1 ZINC000735500073 599107377 /nfs/dbraw/zinc/10/73/77/599107377.db2.gz XIURTEYREUHOLA-GFCCVEGCSA-N -1 3 367.434 3.189 20 0 FGADHM C[C@H](NC(=O)CSc1ccccc1-c1nnn[n-]1)c1ccccc1Cl ZINC000736113373 599109167 /nfs/dbraw/zinc/10/91/67/599109167.db2.gz ZJBSJVFASLTHOU-NSHDSACASA-N -1 3 373.869 3.490 20 0 FGADHM C[C@H](NC(=O)CSc1ccccc1-c1nn[n-]n1)c1ccccc1Cl ZINC000736113373 599109169 /nfs/dbraw/zinc/10/91/69/599109169.db2.gz ZJBSJVFASLTHOU-NSHDSACASA-N -1 3 373.869 3.490 20 0 FGADHM O=C(CSc1ccccc1-c1nnn[n-]1)N1CCC[C@H]2CCCC[C@H]21 ZINC000737946139 599112159 /nfs/dbraw/zinc/11/21/59/599112159.db2.gz BFOAYXOPETYNRN-UKRRQHHQSA-N -1 3 357.483 3.140 20 0 FGADHM O=C(CSc1ccccc1-c1nn[n-]n1)N1CCC[C@H]2CCCC[C@H]21 ZINC000737946139 599112160 /nfs/dbraw/zinc/11/21/60/599112160.db2.gz BFOAYXOPETYNRN-UKRRQHHQSA-N -1 3 357.483 3.140 20 0 FGADHM COCCN(C(=O)c1ccc2ccccc2c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736988857 599116304 /nfs/dbraw/zinc/11/63/04/599116304.db2.gz SUDOPNLCNHJOJK-UHFFFAOYSA-N -1 3 373.416 3.313 20 0 FGADHM COCCN(C(=O)c1ccc2ccccc2c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736988857 599116308 /nfs/dbraw/zinc/11/63/08/599116308.db2.gz SUDOPNLCNHJOJK-UHFFFAOYSA-N -1 3 373.416 3.313 20 0 FGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)OCc1ccc2c(c1)CCC2 ZINC000737949047 599128316 /nfs/dbraw/zinc/12/83/16/599128316.db2.gz VZDWGRXESIZSQR-UHFFFAOYSA-N -1 3 366.446 3.191 20 0 FGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)OCc1ccc2c(c1)CCC2 ZINC000737949047 599128318 /nfs/dbraw/zinc/12/83/18/599128318.db2.gz VZDWGRXESIZSQR-UHFFFAOYSA-N -1 3 366.446 3.191 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@H](C)CCc1cccc(F)c1 ZINC000821699500 599134908 /nfs/dbraw/zinc/13/49/08/599134908.db2.gz SMTBOIYSVWICRA-GFCCVEGCSA-N -1 3 370.384 3.189 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@H](C)CCc1cccc(F)c1 ZINC000821699500 599134910 /nfs/dbraw/zinc/13/49/10/599134910.db2.gz SMTBOIYSVWICRA-GFCCVEGCSA-N -1 3 370.384 3.189 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H](C)c1cccc(C)c1C ZINC000737061916 599144986 /nfs/dbraw/zinc/14/49/86/599144986.db2.gz GSVQHIFWRFQSRG-CYBMUJFWSA-N -1 3 366.425 3.375 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H](C)c1cccc(C)c1C ZINC000737061916 599144988 /nfs/dbraw/zinc/14/49/88/599144988.db2.gz GSVQHIFWRFQSRG-CYBMUJFWSA-N -1 3 366.425 3.375 20 0 FGADHM Cc1[nH]nc(C(=O)OCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)c1C ZINC000737203505 599145768 /nfs/dbraw/zinc/14/57/68/599145768.db2.gz UQPCRAHPLNCDPK-UHFFFAOYSA-N -1 3 374.404 3.231 20 0 FGADHM Cc1[nH]nc(C(=O)OCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)c1C ZINC000737203505 599145769 /nfs/dbraw/zinc/14/57/69/599145769.db2.gz UQPCRAHPLNCDPK-UHFFFAOYSA-N -1 3 374.404 3.231 20 0 FGADHM CC(C)c1ccc(C(=O)[C@H](C)OC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736160902 599149710 /nfs/dbraw/zinc/14/97/10/599149710.db2.gz ABIXRJSBUZTDEK-ZDUSSCGKSA-N -1 3 364.405 3.418 20 0 FGADHM CC(C)c1ccc(C(=O)[C@H](C)OC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736160902 599149713 /nfs/dbraw/zinc/14/97/13/599149713.db2.gz ABIXRJSBUZTDEK-ZDUSSCGKSA-N -1 3 364.405 3.418 20 0 FGADHM CC(C)(C)c1ncc(C=CC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)s1 ZINC000819966074 599150087 /nfs/dbraw/zinc/15/00/87/599150087.db2.gz VKBHASMMGONVEV-FNORWQNLSA-N -1 3 372.429 3.412 20 0 FGADHM CC(C)(C)c1ncc(C=CC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)s1 ZINC000819966074 599150089 /nfs/dbraw/zinc/15/00/89/599150089.db2.gz VKBHASMMGONVEV-FNORWQNLSA-N -1 3 372.429 3.412 20 0 FGADHM C[C@H](NC(=O)[C@@H]1C[C@H]1c1c(F)cccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000736100657 599160314 /nfs/dbraw/zinc/16/03/14/599160314.db2.gz MYMPLEOJXUAPBL-ZLKJLUDKSA-N -1 3 369.375 3.126 20 0 FGADHM C[C@H](NC(=O)[C@@H]1C[C@H]1c1c(F)cccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000736100657 599160317 /nfs/dbraw/zinc/16/03/17/599160317.db2.gz MYMPLEOJXUAPBL-ZLKJLUDKSA-N -1 3 369.375 3.126 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C[C@H](C)c1ccccc1C ZINC000737059562 599160740 /nfs/dbraw/zinc/16/07/40/599160740.db2.gz WSVZSNMOKCZHHY-ZDUSSCGKSA-N -1 3 351.410 3.316 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C[C@H](C)c1ccccc1C ZINC000737059562 599160741 /nfs/dbraw/zinc/16/07/41/599160741.db2.gz WSVZSNMOKCZHHY-ZDUSSCGKSA-N -1 3 351.410 3.316 20 0 FGADHM Cc1ccc(C)c(SCC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)c1 ZINC000822231930 599181959 /nfs/dbraw/zinc/18/19/59/599181959.db2.gz MYWPHWKCDCTWAR-UHFFFAOYSA-N -1 3 371.441 3.031 20 0 FGADHM Cc1ccc(C)c(SCC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC000822231930 599181964 /nfs/dbraw/zinc/18/19/64/599181964.db2.gz MYWPHWKCDCTWAR-UHFFFAOYSA-N -1 3 371.441 3.031 20 0 FGADHM C[C@H](C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C)c1cccc(F)c1 ZINC000735552277 599183995 /nfs/dbraw/zinc/18/39/95/599183995.db2.gz WYMGYCIMJRXXSE-NSHDSACASA-N -1 3 356.405 3.305 20 0 FGADHM C[C@H](C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C)c1cccc(F)c1 ZINC000735552277 599183997 /nfs/dbraw/zinc/18/39/97/599183997.db2.gz WYMGYCIMJRXXSE-NSHDSACASA-N -1 3 356.405 3.305 20 0 FGADHM CC(C)(C)[C@@H]1CCCN(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000735596143 599188861 /nfs/dbraw/zinc/18/88/61/599188861.db2.gz JBYJWHHHBWTTKF-MRXNPFEDSA-N -1 3 356.474 3.225 20 0 FGADHM CC(C)(C)[C@@H]1CCCN(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735596143 599188863 /nfs/dbraw/zinc/18/88/63/599188863.db2.gz JBYJWHHHBWTTKF-MRXNPFEDSA-N -1 3 356.474 3.225 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H](C)c1cccc(Cl)c1 ZINC000737056260 599187094 /nfs/dbraw/zinc/18/70/94/599187094.db2.gz AXZAWKZNZZRNHJ-JTQLQIEISA-N -1 3 357.801 3.271 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H](C)c1cccc(Cl)c1 ZINC000737056260 599187095 /nfs/dbraw/zinc/18/70/95/599187095.db2.gz AXZAWKZNZZRNHJ-JTQLQIEISA-N -1 3 357.801 3.271 20 0 FGADHM CCC[C@@H]1[C@@H](C)CCCN1C(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000821033596 599194617 /nfs/dbraw/zinc/19/46/17/599194617.db2.gz CDKVJPNXNAWAOJ-SQWLQELKSA-N -1 3 357.458 3.061 20 0 FGADHM CCC[C@@H]1[C@@H](C)CCCN1C(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000821033596 599194621 /nfs/dbraw/zinc/19/46/21/599194621.db2.gz CDKVJPNXNAWAOJ-SQWLQELKSA-N -1 3 357.458 3.061 20 0 FGADHM CC(=O)N(Cc1ccc(NCc2ccc(-c3nnn[n-]3)cc2)cc1)C(C)C ZINC000735460334 599205262 /nfs/dbraw/zinc/20/52/62/599205262.db2.gz GWGOMNSLFZNWHA-UHFFFAOYSA-N -1 3 364.453 3.236 20 0 FGADHM CC(=O)N(Cc1ccc(NCc2ccc(-c3nn[n-]n3)cc2)cc1)C(C)C ZINC000735460334 599205263 /nfs/dbraw/zinc/20/52/63/599205263.db2.gz GWGOMNSLFZNWHA-UHFFFAOYSA-N -1 3 364.453 3.236 20 0 FGADHM CCS[C@@H]1CC[C@@H](N(C)C(=O)C=Cc2ccccc2-c2nnn[n-]2)C1 ZINC000821447009 599212327 /nfs/dbraw/zinc/21/23/27/599212327.db2.gz HAOLDPWZUTWBFF-TYJMOYENSA-N -1 3 357.483 3.013 20 0 FGADHM CCS[C@@H]1CC[C@@H](N(C)C(=O)C=Cc2ccccc2-c2nn[n-]n2)C1 ZINC000821447009 599212328 /nfs/dbraw/zinc/21/23/28/599212328.db2.gz HAOLDPWZUTWBFF-TYJMOYENSA-N -1 3 357.483 3.013 20 0 FGADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCC[C@@H]2CCC[C@H]21 ZINC000735735698 599223608 /nfs/dbraw/zinc/22/36/08/599223608.db2.gz UEDSQZATCJMMRV-LESCRADOSA-N -1 3 369.469 3.061 20 0 FGADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCC[C@@H]2CCC[C@H]21 ZINC000735735698 599223610 /nfs/dbraw/zinc/22/36/10/599223610.db2.gz UEDSQZATCJMMRV-LESCRADOSA-N -1 3 369.469 3.061 20 0 FGADHM CCCOc1cccc(CC(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000821134283 607265326 /nfs/dbraw/zinc/26/53/26/607265326.db2.gz RXJPBRZPJIHSGM-UHFFFAOYSA-N -1 3 370.384 3.081 20 0 FGADHM CCCOc1cccc(CC(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000821134283 607265327 /nfs/dbraw/zinc/26/53/27/607265327.db2.gz RXJPBRZPJIHSGM-UHFFFAOYSA-N -1 3 370.384 3.081 20 0 FGADHM Cc1ccc(NC(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)cn1 ZINC000822254404 607265626 /nfs/dbraw/zinc/26/56/26/607265626.db2.gz IXHSTBCKPDFWPU-UHFFFAOYSA-N -1 3 373.376 3.010 20 0 FGADHM Cc1ccc(NC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)cn1 ZINC000822254404 607265627 /nfs/dbraw/zinc/26/56/27/607265627.db2.gz IXHSTBCKPDFWPU-UHFFFAOYSA-N -1 3 373.376 3.010 20 0 FGADHM Cc1cc(C)cc(C[C@H](C)NC(=O)Nc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822196876 599241422 /nfs/dbraw/zinc/24/14/22/599241422.db2.gz ZQZIYQTVWCQTFH-AWEZNQCLSA-N -1 3 350.426 3.236 20 0 FGADHM Cc1cc(C)cc(C[C@H](C)NC(=O)Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822196876 599241424 /nfs/dbraw/zinc/24/14/24/599241424.db2.gz ZQZIYQTVWCQTFH-AWEZNQCLSA-N -1 3 350.426 3.236 20 0 FGADHM Cc1ccc(Cl)c(OCC(=O)Nc2cccc(-c3nnn[n-]3)c2C)c1 ZINC000822239884 607270240 /nfs/dbraw/zinc/27/02/40/607270240.db2.gz JCPSYBWVSLKXFQ-UHFFFAOYSA-N -1 3 357.801 3.154 20 0 FGADHM Cc1ccc(Cl)c(OCC(=O)Nc2cccc(-c3nn[n-]n3)c2C)c1 ZINC000822239884 607270241 /nfs/dbraw/zinc/27/02/41/607270241.db2.gz JCPSYBWVSLKXFQ-UHFFFAOYSA-N -1 3 357.801 3.154 20 0 FGADHM Cc1cc(Cl)ccc1OCC(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000822202022 607271806 /nfs/dbraw/zinc/27/18/06/607271806.db2.gz HPBUFBZRPANKAR-UHFFFAOYSA-N -1 3 357.801 3.154 20 0 FGADHM Cc1cc(Cl)ccc1OCC(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000822202022 607271807 /nfs/dbraw/zinc/27/18/07/607271807.db2.gz HPBUFBZRPANKAR-UHFFFAOYSA-N -1 3 357.801 3.154 20 0 FGADHM O=C(NCc1ccc(-c2cccnc2)cc1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000823246102 599244508 /nfs/dbraw/zinc/24/45/08/599244508.db2.gz BPQYHSMDQFGVIL-UHFFFAOYSA-N -1 3 371.404 3.250 20 0 FGADHM O=C(NCc1ccc(-c2cccnc2)cc1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000823246102 599244511 /nfs/dbraw/zinc/24/45/11/599244511.db2.gz BPQYHSMDQFGVIL-UHFFFAOYSA-N -1 3 371.404 3.250 20 0 FGADHM CCc1nc(C)c([C@H](C)N(C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)s1 ZINC000821504143 599245125 /nfs/dbraw/zinc/24/51/25/599245125.db2.gz BPYAVDGADRYLPF-NSHDSACASA-N -1 3 371.470 3.419 20 0 FGADHM CCc1nc(C)c([C@H](C)N(C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)s1 ZINC000821504143 599245127 /nfs/dbraw/zinc/24/51/27/599245127.db2.gz BPYAVDGADRYLPF-NSHDSACASA-N -1 3 371.470 3.419 20 0 FGADHM CN(C)CCN(Cc1ccc(F)cc1)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000737949861 597195644 /nfs/dbraw/zinc/19/56/44/597195644.db2.gz PXDDAJAZNXABBF-UHFFFAOYSA-N -1 3 373.428 3.049 20 0 FGADHM C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)Nc2cccc(CC(=O)[O-])c2)C1 ZINC000737721722 597195817 /nfs/dbraw/zinc/19/58/17/597195817.db2.gz QIEAYKCYZQIDNF-HNAYVOBHSA-N -1 3 367.449 3.271 20 0 FGADHM Cc1ccc([C@H]2CCCN2C(=O)Nc2cccc(-c3nnn[n-]3)c2C)o1 ZINC000822233782 607280894 /nfs/dbraw/zinc/28/08/94/607280894.db2.gz UZBPUZTXNKYCFP-OAHLLOKOSA-N -1 3 352.398 3.446 20 0 FGADHM Cc1ccc([C@H]2CCCN2C(=O)Nc2cccc(-c3nn[n-]n3)c2C)o1 ZINC000822233782 607280895 /nfs/dbraw/zinc/28/08/95/607280895.db2.gz UZBPUZTXNKYCFP-OAHLLOKOSA-N -1 3 352.398 3.446 20 0 FGADHM C[C@H](NC(=O)Nc1nc(C2CC2)cs1)c1cccc(-c2nnn[n-]2)c1 ZINC000820380263 599251808 /nfs/dbraw/zinc/25/18/08/599251808.db2.gz OPRGMMQBDWNELK-VIFPVBQESA-N -1 3 355.427 3.083 20 0 FGADHM C[C@H](NC(=O)Nc1nc(C2CC2)cs1)c1cccc(-c2nn[n-]n2)c1 ZINC000820380263 599251809 /nfs/dbraw/zinc/25/18/09/599251809.db2.gz OPRGMMQBDWNELK-VIFPVBQESA-N -1 3 355.427 3.083 20 0 FGADHM CCO[C@@H]1C[C@@H](NC(=O)Nc2cccc(-c3nnn[n-]3)c2C)C12CCCC2 ZINC000821357600 607281862 /nfs/dbraw/zinc/28/18/62/607281862.db2.gz FFHFHQZMNMPBIB-HZPDHXFCSA-N -1 3 370.457 3.034 20 0 FGADHM CCO[C@@H]1C[C@@H](NC(=O)Nc2cccc(-c3nn[n-]n3)c2C)C12CCCC2 ZINC000821357600 607281863 /nfs/dbraw/zinc/28/18/63/607281863.db2.gz FFHFHQZMNMPBIB-HZPDHXFCSA-N -1 3 370.457 3.034 20 0 FGADHM Cc1c(NC(=O)NCc2cc3c(s2)CCCC3)cccc1-c1nnn[n-]1 ZINC000822105612 607281871 /nfs/dbraw/zinc/28/18/71/607281871.db2.gz VVRPSUNJKKYRBM-UHFFFAOYSA-N -1 3 368.466 3.437 20 0 FGADHM Cc1c(NC(=O)NCc2cc3c(s2)CCCC3)cccc1-c1nn[n-]n1 ZINC000822105612 607281872 /nfs/dbraw/zinc/28/18/72/607281872.db2.gz VVRPSUNJKKYRBM-UHFFFAOYSA-N -1 3 368.466 3.437 20 0 FGADHM Cc1c(NC(=O)N[C@@H]2COc3c2cccc3Cl)cccc1-c1nnn[n-]1 ZINC000822092293 607282414 /nfs/dbraw/zinc/28/24/14/607282414.db2.gz VTSMLLCBQBMLIY-CQSZACIVSA-N -1 3 370.800 3.084 20 0 FGADHM Cc1c(NC(=O)N[C@@H]2COc3c2cccc3Cl)cccc1-c1nn[n-]n1 ZINC000822092293 607282415 /nfs/dbraw/zinc/28/24/15/607282415.db2.gz VTSMLLCBQBMLIY-CQSZACIVSA-N -1 3 370.800 3.084 20 0 FGADHM CC(C)Oc1ccc(NC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000820170060 599253806 /nfs/dbraw/zinc/25/38/06/599253806.db2.gz OUXXLZHRYRXKHZ-UHFFFAOYSA-N -1 3 370.388 3.115 20 0 FGADHM CC(C)Oc1ccc(NC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000820170060 599253807 /nfs/dbraw/zinc/25/38/07/599253807.db2.gz OUXXLZHRYRXKHZ-UHFFFAOYSA-N -1 3 370.388 3.115 20 0 FGADHM Cc1c2ccc3ccccc3c2oc1C(=O)Nc1ccncc1-c1nnn[n-]1 ZINC000737210113 599256087 /nfs/dbraw/zinc/25/60/87/599256087.db2.gz YBXIJXCDPDEUBV-UHFFFAOYSA-N -1 3 370.372 3.144 20 0 FGADHM Cc1c2ccc3ccccc3c2oc1C(=O)Nc1ccncc1-c1nn[n-]n1 ZINC000737210113 599256089 /nfs/dbraw/zinc/25/60/89/599256089.db2.gz YBXIJXCDPDEUBV-UHFFFAOYSA-N -1 3 370.372 3.144 20 0 FGADHM CSc1ccc(CNC(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1 ZINC000821978363 607284639 /nfs/dbraw/zinc/28/46/39/607284639.db2.gz LXZRMMQSEYJGCN-UHFFFAOYSA-N -1 3 354.439 3.219 20 0 FGADHM CSc1ccc(CNC(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1 ZINC000821978363 607284640 /nfs/dbraw/zinc/28/46/40/607284640.db2.gz LXZRMMQSEYJGCN-UHFFFAOYSA-N -1 3 354.439 3.219 20 0 FGADHM CC[C@H](Oc1ccccc1C)C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000820937669 607295515 /nfs/dbraw/zinc/29/55/15/607295515.db2.gz BRXJDJNBEQRCEB-INIZCTEOSA-N -1 3 351.410 3.280 20 0 FGADHM CC[C@H](Oc1ccccc1C)C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000820937669 607295516 /nfs/dbraw/zinc/29/55/16/607295516.db2.gz BRXJDJNBEQRCEB-INIZCTEOSA-N -1 3 351.410 3.280 20 0 FGADHM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000820684176 607299749 /nfs/dbraw/zinc/29/97/49/607299749.db2.gz MTTCNIPZIRSQKR-SCDSUCTJSA-N -1 3 362.865 3.106 20 0 FGADHM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000820684176 607299750 /nfs/dbraw/zinc/29/97/50/607299750.db2.gz MTTCNIPZIRSQKR-SCDSUCTJSA-N -1 3 362.865 3.106 20 0 FGADHM Clc1cc(NCc2cccc3c2OCCCO3)ccc1-c1nnn[n-]1 ZINC000822568114 607307400 /nfs/dbraw/zinc/30/74/00/607307400.db2.gz LSQCKSRUCBWNCA-UHFFFAOYSA-N -1 3 357.801 3.294 20 0 FGADHM Clc1cc(NCc2cccc3c2OCCCO3)ccc1-c1nn[n-]n1 ZINC000822568114 607307401 /nfs/dbraw/zinc/30/74/01/607307401.db2.gz LSQCKSRUCBWNCA-UHFFFAOYSA-N -1 3 357.801 3.294 20 0 FGADHM Cc1ccc(NCc2cc(-c3nnn[n-]3)cs2)c(OC[C@@H]2CCCO2)c1 ZINC000822254373 607310004 /nfs/dbraw/zinc/31/00/04/607310004.db2.gz HXAGPBKROOWHQZ-AWEZNQCLSA-N -1 3 371.466 3.407 20 0 FGADHM Cc1ccc(NCc2cc(-c3nn[n-]n3)cs2)c(OC[C@@H]2CCCO2)c1 ZINC000822254373 607310005 /nfs/dbraw/zinc/31/00/05/607310005.db2.gz HXAGPBKROOWHQZ-AWEZNQCLSA-N -1 3 371.466 3.407 20 0 FGADHM FC(F)(F)COc1cccc(NCc2ccc(-c3nnn[n-]3)s2)c1 ZINC000822718670 607313686 /nfs/dbraw/zinc/31/36/86/607313686.db2.gz OIJKWIWYITXALP-UHFFFAOYSA-N -1 3 355.345 3.481 20 0 FGADHM C[C@@H]1CN(c2ccc(NCc3ccc(-c4nnn[n-]4)cc3)cc2)C[C@H](C)O1 ZINC000820774862 607314889 /nfs/dbraw/zinc/31/48/89/607314889.db2.gz GQMBWEGBVCUOFF-GASCZTMLSA-N -1 3 364.453 3.092 20 0 FGADHM C[C@@H]1CN(c2ccc(NCc3ccc(-c4nn[n-]n4)cc3)cc2)C[C@H](C)O1 ZINC000820774862 607314890 /nfs/dbraw/zinc/31/48/90/607314890.db2.gz GQMBWEGBVCUOFF-GASCZTMLSA-N -1 3 364.453 3.092 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)c1nccc(C(F)(F)F)n1 ZINC000821109445 607305196 /nfs/dbraw/zinc/30/51/96/607305196.db2.gz IMAMHOKBISCDGC-UHFFFAOYSA-N -1 3 363.347 3.092 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)c1nccc(C(F)(F)F)n1 ZINC000821109445 607305197 /nfs/dbraw/zinc/30/51/97/607305197.db2.gz IMAMHOKBISCDGC-UHFFFAOYSA-N -1 3 363.347 3.092 20 0 FGADHM CN(C)c1cccc([C@@H]2CCCN2c2ncc(-c3nnn[n-]3)cc2Cl)c1 ZINC000736781354 599266673 /nfs/dbraw/zinc/26/66/73/599266673.db2.gz YMTUIBWCWFHONJ-INIZCTEOSA-N -1 3 369.860 3.323 20 0 FGADHM CN(C)c1cccc([C@@H]2CCCN2c2ncc(-c3nn[n-]n3)cc2Cl)c1 ZINC000736781354 599266675 /nfs/dbraw/zinc/26/66/75/599266675.db2.gz YMTUIBWCWFHONJ-INIZCTEOSA-N -1 3 369.860 3.323 20 0 FGADHM COc1ccc(CNc2ccc3c(cnn3C(C)C)c2)cc1-c1nnn[n-]1 ZINC000821821669 607317125 /nfs/dbraw/zinc/31/71/25/607317125.db2.gz QFAIEOKANJWOJM-UHFFFAOYSA-N -1 3 363.425 3.418 20 0 FGADHM COc1ccc(CNc2ccc3c(cnn3C(C)C)c2)cc1-c1nn[n-]n1 ZINC000821821669 607317126 /nfs/dbraw/zinc/31/71/26/607317126.db2.gz QFAIEOKANJWOJM-UHFFFAOYSA-N -1 3 363.425 3.418 20 0 FGADHM C[C@@H](Oc1cc(Cl)ccc1F)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736162878 599267603 /nfs/dbraw/zinc/26/76/03/599267603.db2.gz FABYHNKEWDFPDP-SECBINFHSA-N -1 3 361.764 3.065 20 0 FGADHM C[C@@H](Oc1cc(Cl)ccc1F)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736162878 599267605 /nfs/dbraw/zinc/26/76/05/599267605.db2.gz FABYHNKEWDFPDP-SECBINFHSA-N -1 3 361.764 3.065 20 0 FGADHM COCc1ccc(CNc2c(-c3nnn[n-]3)cnc3c(C)cc(C)cc32)cc1 ZINC000737018586 599270568 /nfs/dbraw/zinc/27/05/68/599270568.db2.gz YLEFDCBNYMKNDM-UHFFFAOYSA-N -1 3 374.448 3.212 20 0 FGADHM COCc1ccc(CNc2c(-c3nn[n-]n3)cnc3c(C)cc(C)cc32)cc1 ZINC000737018586 599270569 /nfs/dbraw/zinc/27/05/69/599270569.db2.gz YLEFDCBNYMKNDM-UHFFFAOYSA-N -1 3 374.448 3.212 20 0 FGADHM CC[C@](C)(NC(=O)Nc1cc(-c2nnn[n-]2)ccc1C)c1nc(C)cs1 ZINC000820852836 599271277 /nfs/dbraw/zinc/27/12/77/599271277.db2.gz HOVGQKAAFLWLAJ-KRWDZBQOSA-N -1 3 371.470 3.387 20 0 FGADHM CC[C@](C)(NC(=O)Nc1cc(-c2nn[n-]n2)ccc1C)c1nc(C)cs1 ZINC000820852836 599271280 /nfs/dbraw/zinc/27/12/80/599271280.db2.gz HOVGQKAAFLWLAJ-KRWDZBQOSA-N -1 3 371.470 3.387 20 0 FGADHM C[C@H](NC(=O)N[C@H]1CSc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000736115416 599275104 /nfs/dbraw/zinc/27/51/04/599275104.db2.gz XTVBLELETVAYHK-NHYWBVRUSA-N -1 3 366.450 3.074 20 0 FGADHM C[C@H](NC(=O)N[C@H]1CSc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000736115416 599275107 /nfs/dbraw/zinc/27/51/07/599275107.db2.gz XTVBLELETVAYHK-NHYWBVRUSA-N -1 3 366.450 3.074 20 0 FGADHM CCc1ccc([C@H]2CCCN2C(=O)Nc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000736682345 599276382 /nfs/dbraw/zinc/27/63/82/599276382.db2.gz BDPRDUSXRMYLAG-OAHLLOKOSA-N -1 3 352.398 3.391 20 0 FGADHM CCc1ccc([C@H]2CCCN2C(=O)Nc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000736682345 599276386 /nfs/dbraw/zinc/27/63/86/599276386.db2.gz BDPRDUSXRMYLAG-OAHLLOKOSA-N -1 3 352.398 3.391 20 0 FGADHM C[C@H](CNC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)Cc1cccs1 ZINC000820270130 599276408 /nfs/dbraw/zinc/27/64/08/599276408.db2.gz VXMWTQWARBICTK-JTQLQIEISA-N -1 3 360.418 3.068 20 0 FGADHM C[C@H](CNC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)Cc1cccs1 ZINC000820270130 599276409 /nfs/dbraw/zinc/27/64/09/599276409.db2.gz VXMWTQWARBICTK-JTQLQIEISA-N -1 3 360.418 3.068 20 0 FGADHM CCOc1cc(NC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)ccc1C ZINC000821401308 599277162 /nfs/dbraw/zinc/27/71/62/599277162.db2.gz VRSSAOLMBLCVDZ-CYBMUJFWSA-N -1 3 366.425 3.457 20 0 FGADHM CCOc1cc(NC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)ccc1C ZINC000821401308 599277164 /nfs/dbraw/zinc/27/71/64/599277164.db2.gz VRSSAOLMBLCVDZ-CYBMUJFWSA-N -1 3 366.425 3.457 20 0 FGADHM CCOc1cc(NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)ccc1C ZINC000821401309 599277222 /nfs/dbraw/zinc/27/72/22/599277222.db2.gz VRSSAOLMBLCVDZ-ZDUSSCGKSA-N -1 3 366.425 3.457 20 0 FGADHM CCOc1cc(NC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)ccc1C ZINC000821401309 599277223 /nfs/dbraw/zinc/27/72/23/599277223.db2.gz VRSSAOLMBLCVDZ-ZDUSSCGKSA-N -1 3 366.425 3.457 20 0 FGADHM C[C@H](NC(=O)Nc1ccc(-c2cc[nH]n2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820372664 599280935 /nfs/dbraw/zinc/28/09/35/599280935.db2.gz AYPVOOVWLXYIEB-LBPRGKRZSA-N -1 3 374.408 3.140 20 0 FGADHM C[C@H](NC(=O)Nc1ccc(-c2cc[nH]n2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820372664 599280937 /nfs/dbraw/zinc/28/09/37/599280937.db2.gz AYPVOOVWLXYIEB-LBPRGKRZSA-N -1 3 374.408 3.140 20 0 FGADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ncc(C(C)(C)C)s1 ZINC000821608650 599297060 /nfs/dbraw/zinc/29/70/60/599297060.db2.gz OYCPZFQHFUHHQL-UHFFFAOYSA-N -1 3 371.470 3.285 20 0 FGADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ncc(C(C)(C)C)s1 ZINC000821608650 599297062 /nfs/dbraw/zinc/29/70/62/599297062.db2.gz OYCPZFQHFUHHQL-UHFFFAOYSA-N -1 3 371.470 3.285 20 0 FGADHM C[C@H]1CCC[C@H]1NC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820698636 599290910 /nfs/dbraw/zinc/29/09/10/599290910.db2.gz VIGRAJZZHGBIMO-QPUJVOFHSA-N -1 3 354.336 3.196 20 0 FGADHM C[C@H]1CCC[C@H]1NC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820698636 599290912 /nfs/dbraw/zinc/29/09/12/599290912.db2.gz VIGRAJZZHGBIMO-QPUJVOFHSA-N -1 3 354.336 3.196 20 0 FGADHM CCN(CC)c1ccc(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1 ZINC000821197343 607325235 /nfs/dbraw/zinc/32/52/35/607325235.db2.gz JEOMGKOMOZEIOP-UHFFFAOYSA-N -1 3 350.426 3.274 20 0 FGADHM CCN(CC)c1ccc(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1 ZINC000821197343 607325236 /nfs/dbraw/zinc/32/52/36/607325236.db2.gz JEOMGKOMOZEIOP-UHFFFAOYSA-N -1 3 350.426 3.274 20 0 FGADHM CN1CCC(N(Cc2ccccc2)C(=O)c2cccc(C(=O)[O-])c2)CC1 ZINC000820620954 598146300 /nfs/dbraw/zinc/14/63/00/598146300.db2.gz YKEXLNIFPGXVDD-UHFFFAOYSA-N -1 3 352.434 3.121 20 0 FGADHM O=C(Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)[C@@H]1CCCOC1 ZINC000738182274 598233167 /nfs/dbraw/zinc/23/31/67/598233167.db2.gz BFLKYGGJJZWFAC-CQSZACIVSA-N -1 3 365.393 3.024 20 0 FGADHM O=C(Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)[C@@H]1CCCOC1 ZINC000738182274 598233169 /nfs/dbraw/zinc/23/31/69/598233169.db2.gz BFLKYGGJJZWFAC-CQSZACIVSA-N -1 3 365.393 3.024 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1NCc1csc(Br)c1 ZINC000737643221 598238403 /nfs/dbraw/zinc/23/84/03/598238403.db2.gz DAUABYOVFLYVEW-UHFFFAOYSA-N -1 3 354.208 3.442 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1NCc1ccc(N2CCCCCC2)nc1 ZINC000737643208 598239496 /nfs/dbraw/zinc/23/94/96/598239496.db2.gz CWJYVGJBKPMORN-UHFFFAOYSA-N -1 3 367.432 3.393 20 0 FGADHM C[C@H](c1ccc(F)c(F)c1)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000736198457 598251082 /nfs/dbraw/zinc/25/10/82/598251082.db2.gz IXTKGVGPKCFNMQ-CYBMUJFWSA-N -1 3 370.407 3.028 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C[C@@H](C)n1cccc1 ZINC000736479984 598258417 /nfs/dbraw/zinc/25/84/17/598258417.db2.gz ORFZXISYKGRSQK-OAHLLOKOSA-N -1 3 352.442 3.058 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C[C@@H](C)n1cccc1 ZINC000736479984 598258418 /nfs/dbraw/zinc/25/84/18/598258418.db2.gz ORFZXISYKGRSQK-OAHLLOKOSA-N -1 3 352.442 3.058 20 0 FGADHM C[C@H](NC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C)c1cccs1 ZINC000736116174 598276245 /nfs/dbraw/zinc/27/62/45/598276245.db2.gz LFCHXFCQHWRFBM-JTQLQIEISA-N -1 3 359.459 3.367 20 0 FGADHM C[C@H](NC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C)c1cccs1 ZINC000736116174 598276247 /nfs/dbraw/zinc/27/62/47/598276247.db2.gz LFCHXFCQHWRFBM-JTQLQIEISA-N -1 3 359.459 3.367 20 0 FGADHM CN(C(=O)[C@H]1C[C@H]1c1cccc(Cl)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000736733469 598279138 /nfs/dbraw/zinc/27/91/38/598279138.db2.gz VTGDIYRCBLVVCK-KBPBESRZSA-N -1 3 371.803 3.426 20 0 FGADHM CN(C(=O)[C@H]1C[C@H]1c1cccc(Cl)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736733469 598279140 /nfs/dbraw/zinc/27/91/40/598279140.db2.gz VTGDIYRCBLVVCK-KBPBESRZSA-N -1 3 371.803 3.426 20 0 FGADHM Cc1c2cc(F)ccc2oc1C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000737204135 598281819 /nfs/dbraw/zinc/28/18/19/598281819.db2.gz YHGXWHQGLSGBJL-UHFFFAOYSA-N -1 3 369.331 3.476 20 0 FGADHM Cc1c2cc(F)ccc2oc1C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000737204135 598281821 /nfs/dbraw/zinc/28/18/21/598281821.db2.gz YHGXWHQGLSGBJL-UHFFFAOYSA-N -1 3 369.331 3.476 20 0 FGADHM CCN(Cc1c(F)cccc1F)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736555203 598282417 /nfs/dbraw/zinc/28/24/17/598282417.db2.gz JKLXNZYGHDMMIQ-UHFFFAOYSA-N -1 3 358.352 3.199 20 0 FGADHM CCN(Cc1c(F)cccc1F)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736555203 598282419 /nfs/dbraw/zinc/28/24/19/598282419.db2.gz JKLXNZYGHDMMIQ-UHFFFAOYSA-N -1 3 358.352 3.199 20 0 FGADHM CCCNC(=O)Nc1cccc(OCc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000736487557 598282455 /nfs/dbraw/zinc/28/24/55/598282455.db2.gz JTHLCSYQBJHLAI-UHFFFAOYSA-N -1 3 370.388 3.116 20 0 FGADHM CCCNC(=O)Nc1cccc(OCc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000736487557 598282457 /nfs/dbraw/zinc/28/24/57/598282457.db2.gz JTHLCSYQBJHLAI-UHFFFAOYSA-N -1 3 370.388 3.116 20 0 FGADHM O=C(NCCSCc1ccccc1-c1nnn[n-]1)C1CCCCCC1 ZINC000738085624 598295877 /nfs/dbraw/zinc/29/58/77/598295877.db2.gz JKCRARNQPPWUEX-UHFFFAOYSA-N -1 3 359.499 3.187 20 0 FGADHM O=C(NCCSCc1ccccc1-c1nn[n-]n1)C1CCCCCC1 ZINC000738085624 598295879 /nfs/dbraw/zinc/29/58/79/598295879.db2.gz JKCRARNQPPWUEX-UHFFFAOYSA-N -1 3 359.499 3.187 20 0 FGADHM Fc1cc(-c2nnn[n-]2)ccc1CNC(=S)Nc1cccc(Cl)c1 ZINC000737640355 598297863 /nfs/dbraw/zinc/29/78/63/598297863.db2.gz VJNNEHQHBGBEEF-UHFFFAOYSA-N -1 3 362.821 3.146 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1CNC(=S)Nc1cccc(Cl)c1 ZINC000737640355 598297865 /nfs/dbraw/zinc/29/78/65/598297865.db2.gz VJNNEHQHBGBEEF-UHFFFAOYSA-N -1 3 362.821 3.146 20 0 FGADHM C[C@@H](OC(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1cnc2ccccc2c1 ZINC000736155028 598306441 /nfs/dbraw/zinc/30/64/41/598306441.db2.gz FWXLFLULDHRCSS-CYBMUJFWSA-N -1 3 359.389 3.262 20 0 FGADHM C[C@@H](OC(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1cnc2ccccc2c1 ZINC000736155028 598306443 /nfs/dbraw/zinc/30/64/43/598306443.db2.gz FWXLFLULDHRCSS-CYBMUJFWSA-N -1 3 359.389 3.262 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1CNCc1csc(Br)c1 ZINC000737639803 598315118 /nfs/dbraw/zinc/31/51/18/598315118.db2.gz STSZTLOKCBUFTN-UHFFFAOYSA-N -1 3 368.235 3.120 20 0 FGADHM Cc1cc2nc(NCc3ccc(-c4nnn[n-]4)cc3F)c3ccccc3n2n1 ZINC000737285362 598310407 /nfs/dbraw/zinc/31/04/07/598310407.db2.gz QVBBXAMFDUMJQF-UHFFFAOYSA-N -1 3 374.383 3.122 20 0 FGADHM Cc1cc2nc(NCc3ccc(-c4nn[n-]n4)cc3F)c3ccccc3n2n1 ZINC000737285362 598310409 /nfs/dbraw/zinc/31/04/09/598310409.db2.gz QVBBXAMFDUMJQF-UHFFFAOYSA-N -1 3 374.383 3.122 20 0 FGADHM C[C@H]1CCC[C@H](NC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000736255815 598318134 /nfs/dbraw/zinc/31/81/34/598318134.db2.gz WQMOBBUZQLZZFW-UWVGGRQHSA-N -1 3 350.879 3.385 20 0 FGADHM C[C@H]1CCC[C@H](NC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000736255815 598318135 /nfs/dbraw/zinc/31/81/35/598318135.db2.gz WQMOBBUZQLZZFW-UWVGGRQHSA-N -1 3 350.879 3.385 20 0 FGADHM CC[C@H]1CCCN(C(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000736400704 598320440 /nfs/dbraw/zinc/32/04/40/598320440.db2.gz AJTTUXFEPSPRFF-JTQLQIEISA-N -1 3 350.879 3.339 20 0 FGADHM CC[C@H]1CCCN(C(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000736400704 598320442 /nfs/dbraw/zinc/32/04/42/598320442.db2.gz AJTTUXFEPSPRFF-JTQLQIEISA-N -1 3 350.879 3.339 20 0 FGADHM Cc1c(Cl)cccc1NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737216851 598322067 /nfs/dbraw/zinc/32/20/67/598322067.db2.gz ZYQVEJUPWLBRKV-UHFFFAOYSA-N -1 3 360.780 3.289 20 0 FGADHM Cc1c(Cl)cccc1NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737216851 598322069 /nfs/dbraw/zinc/32/20/69/598322069.db2.gz ZYQVEJUPWLBRKV-UHFFFAOYSA-N -1 3 360.780 3.289 20 0 FGADHM CN(C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C(C1CC1)C1CC1 ZINC000736741507 598323905 /nfs/dbraw/zinc/32/39/05/598323905.db2.gz RNJSASBNAZNTKR-UHFFFAOYSA-N -1 3 362.890 3.337 20 0 FGADHM CN(C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C(C1CC1)C1CC1 ZINC000736741507 598323907 /nfs/dbraw/zinc/32/39/07/598323907.db2.gz RNJSASBNAZNTKR-UHFFFAOYSA-N -1 3 362.890 3.337 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1csc(C(C)C)n1 ZINC000736480069 598327462 /nfs/dbraw/zinc/32/74/62/598327462.db2.gz JHXXMMVYRLJJOR-UHFFFAOYSA-N -1 3 370.482 3.499 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1csc(C(C)C)n1 ZINC000736480069 598327464 /nfs/dbraw/zinc/32/74/64/598327464.db2.gz JHXXMMVYRLJJOR-UHFFFAOYSA-N -1 3 370.482 3.499 20 0 FGADHM CC[C@H](COC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000736354511 598331344 /nfs/dbraw/zinc/33/13/44/598331344.db2.gz UFPLVYOCTVHZLQ-LSDHHAIUSA-N -1 3 366.421 3.371 20 0 FGADHM CC[C@H](COC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000736354511 598331346 /nfs/dbraw/zinc/33/13/46/598331346.db2.gz UFPLVYOCTVHZLQ-LSDHHAIUSA-N -1 3 366.421 3.371 20 0 FGADHM COc1ccccc1CC1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000737151894 598353090 /nfs/dbraw/zinc/35/30/90/598353090.db2.gz GXJAOLJVYFKFGJ-UHFFFAOYSA-N -1 3 367.428 3.474 20 0 FGADHM CC1(c2ccccc2)CC(NC(=O)CCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736224141 598360650 /nfs/dbraw/zinc/36/06/50/598360650.db2.gz QHQNNYSJXKQYBP-UHFFFAOYSA-N -1 3 361.449 3.036 20 0 FGADHM CC1(c2ccccc2)CC(NC(=O)CCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736224141 598360652 /nfs/dbraw/zinc/36/06/52/598360652.db2.gz QHQNNYSJXKQYBP-UHFFFAOYSA-N -1 3 361.449 3.036 20 0 FGADHM Cc1oc(-c2ccsc2)nc1CC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000524163192 598379285 /nfs/dbraw/zinc/37/92/85/598379285.db2.gz ARPYFLWCMVZASR-UHFFFAOYSA-N -1 3 366.406 3.073 20 0 FGADHM Cc1oc(-c2ccsc2)nc1CC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000524163192 598379286 /nfs/dbraw/zinc/37/92/86/598379286.db2.gz ARPYFLWCMVZASR-UHFFFAOYSA-N -1 3 366.406 3.073 20 0 FGADHM CN(C(=O)CNc1ccc(-c2nn[n-]n2)cc1)c1ccc2ccccc2c1 ZINC000736733320 598381481 /nfs/dbraw/zinc/38/14/81/598381481.db2.gz MJOFVJFIWQWBRJ-UHFFFAOYSA-N -1 3 358.405 3.095 20 0 FGADHM Cc1nc(Cl)cc(N(Cc2ccc(-c3nnn[n-]3)cc2)CC(C)C)n1 ZINC000737477349 598392330 /nfs/dbraw/zinc/39/23/30/598392330.db2.gz KIFNBJLWHNDDRL-UHFFFAOYSA-N -1 3 357.849 3.281 20 0 FGADHM Cc1nc(Cl)cc(N(Cc2ccc(-c3nn[n-]n3)cc2)CC(C)C)n1 ZINC000737477349 598392332 /nfs/dbraw/zinc/39/23/32/598392332.db2.gz KIFNBJLWHNDDRL-UHFFFAOYSA-N -1 3 357.849 3.281 20 0 FGADHM Cc1ccc2c(c1)[C@H](NC(=O)N(C)Cc1cccc(-c3nnn[n-]3)c1)CC2 ZINC000737371938 598392878 /nfs/dbraw/zinc/39/28/78/598392878.db2.gz QUCBDOCDSFECJL-GOSISDBHSA-N -1 3 362.437 3.004 20 0 FGADHM Cc1ccc2c(c1)[C@H](NC(=O)N(C)Cc1cccc(-c3nn[n-]n3)c1)CC2 ZINC000737371938 598392879 /nfs/dbraw/zinc/39/28/79/598392879.db2.gz QUCBDOCDSFECJL-GOSISDBHSA-N -1 3 362.437 3.004 20 0 FGADHM CO[C@H](C)c1cccc(NCCCOc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736962788 598395983 /nfs/dbraw/zinc/39/59/83/598395983.db2.gz QJCQERXAECGCDP-CQSZACIVSA-N -1 3 353.426 3.455 20 0 FGADHM Cc1ccc(F)c(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)c1 ZINC000737343874 598417399 /nfs/dbraw/zinc/41/73/99/598417399.db2.gz WRNFUZDIFCSTEK-UHFFFAOYSA-N -1 3 353.401 3.365 20 0 FGADHM Cc1ccc(F)c(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)c1 ZINC000737343874 598417400 /nfs/dbraw/zinc/41/74/00/598417400.db2.gz WRNFUZDIFCSTEK-UHFFFAOYSA-N -1 3 353.401 3.365 20 0 FGADHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)[C@H]1CCCc2sccc21 ZINC000823413265 607354707 /nfs/dbraw/zinc/35/47/07/607354707.db2.gz DOOWUSTVZMTHLO-AWEZNQCLSA-N -1 3 358.398 3.231 20 0 FGADHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)[C@H]1CCCc2sccc21 ZINC000823413265 607354708 /nfs/dbraw/zinc/35/47/08/607354708.db2.gz DOOWUSTVZMTHLO-AWEZNQCLSA-N -1 3 358.398 3.231 20 0 FGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H]1CCC[C@H](C)C1 ZINC000736256823 598428197 /nfs/dbraw/zinc/42/81/97/598428197.db2.gz AZXJQHXUKOAARI-WMLDXEAASA-N -1 3 356.474 3.365 20 0 FGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1CCC[C@H](C)C1 ZINC000736256823 598428198 /nfs/dbraw/zinc/42/81/98/598428198.db2.gz AZXJQHXUKOAARI-WMLDXEAASA-N -1 3 356.474 3.365 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N1Cc2ccccc2C(F)(F)C1 ZINC000823332521 607354904 /nfs/dbraw/zinc/35/49/04/607354904.db2.gz OJAXXTKZZRFUHA-UHFFFAOYSA-N -1 3 374.326 3.145 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N1Cc2ccccc2C(F)(F)C1 ZINC000823332521 607354905 /nfs/dbraw/zinc/35/49/05/607354905.db2.gz OJAXXTKZZRFUHA-UHFFFAOYSA-N -1 3 374.326 3.145 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCCc2sccc2C1 ZINC000737292209 598431838 /nfs/dbraw/zinc/43/18/38/598431838.db2.gz UCWQAAWWCIGPIB-UHFFFAOYSA-N -1 3 354.439 3.217 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCCc2sccc2C1 ZINC000737292209 598431840 /nfs/dbraw/zinc/43/18/40/598431840.db2.gz UCWQAAWWCIGPIB-UHFFFAOYSA-N -1 3 354.439 3.217 20 0 FGADHM CCN(C(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCCC[C@H]1C ZINC000736502067 598445480 /nfs/dbraw/zinc/44/54/80/598445480.db2.gz JLROYVIPRGDOKI-JKIFEVAISA-N -1 3 357.458 3.061 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N(C)C[C@H](C)c1ccccc1 ZINC000737056918 598476268 /nfs/dbraw/zinc/47/62/68/598476268.db2.gz DOLXDYJXVHQWOI-ZDUSSCGKSA-N -1 3 366.425 3.143 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N(C)C[C@H](C)c1ccccc1 ZINC000737056918 598476270 /nfs/dbraw/zinc/47/62/70/598476270.db2.gz DOLXDYJXVHQWOI-ZDUSSCGKSA-N -1 3 366.425 3.143 20 0 FGADHM C[C@@H](OC(=O)c1cc2c(cccc2F)[nH]1)c1cccc(-c2nnn[n-]2)c1 ZINC000736160051 598487638 /nfs/dbraw/zinc/48/76/38/598487638.db2.gz PEPWJFPTIWNAOO-SNVBAGLBSA-N -1 3 351.341 3.405 20 0 FGADHM C[C@@H](OC(=O)c1cc2c(cccc2F)[nH]1)c1cccc(-c2nn[n-]n2)c1 ZINC000736160051 598487640 /nfs/dbraw/zinc/48/76/40/598487640.db2.gz PEPWJFPTIWNAOO-SNVBAGLBSA-N -1 3 351.341 3.405 20 0 FGADHM Cc1ccccc1CCC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000737427588 598489064 /nfs/dbraw/zinc/48/90/64/598489064.db2.gz SVARZGRGGJIOQJ-UHFFFAOYSA-N -1 3 352.442 3.303 20 0 FGADHM Cc1ccccc1CCC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000737427588 598489066 /nfs/dbraw/zinc/48/90/66/598489066.db2.gz SVARZGRGGJIOQJ-UHFFFAOYSA-N -1 3 352.442 3.303 20 0 FGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)CCc1ccc(F)cc1 ZINC000735659901 598489199 /nfs/dbraw/zinc/48/91/99/598489199.db2.gz GMFRDYQVRDJQQK-UHFFFAOYSA-N -1 3 356.405 3.134 20 0 FGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)CCc1ccc(F)cc1 ZINC000735659901 598489200 /nfs/dbraw/zinc/48/92/00/598489200.db2.gz GMFRDYQVRDJQQK-UHFFFAOYSA-N -1 3 356.405 3.134 20 0 FGADHM Cc1ccc(C)c(OCC(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000737325771 598489771 /nfs/dbraw/zinc/48/97/71/598489771.db2.gz HYBWUWBPQVYLOW-CQSZACIVSA-N -1 3 352.394 3.167 20 0 FGADHM Cc1ccc(C)c(OCC(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737325771 598489772 /nfs/dbraw/zinc/48/97/72/598489772.db2.gz HYBWUWBPQVYLOW-CQSZACIVSA-N -1 3 352.394 3.167 20 0 FGADHM CCOc1ccc(C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)cc1 ZINC000736636867 598489858 /nfs/dbraw/zinc/48/98/58/598489858.db2.gz KNWFSAXNBSBDMT-UHFFFAOYSA-N -1 3 354.414 3.074 20 0 FGADHM CCOc1ccc(C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)cc1 ZINC000736636867 598489859 /nfs/dbraw/zinc/48/98/59/598489859.db2.gz KNWFSAXNBSBDMT-UHFFFAOYSA-N -1 3 354.414 3.074 20 0 FGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)c1ccnc2ccccc21 ZINC000735662236 598490799 /nfs/dbraw/zinc/49/07/99/598490799.db2.gz SUZSYKHSZRUGNJ-UHFFFAOYSA-N -1 3 361.409 3.224 20 0 FGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)c1ccnc2ccccc21 ZINC000735662236 598490801 /nfs/dbraw/zinc/49/08/01/598490801.db2.gz SUZSYKHSZRUGNJ-UHFFFAOYSA-N -1 3 361.409 3.224 20 0 FGADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)N(CC1CC1)C1CCCCC1 ZINC000737853286 598500346 /nfs/dbraw/zinc/50/03/46/598500346.db2.gz SGGJCCACJLENMF-UHFFFAOYSA-N -1 3 353.470 3.371 20 0 FGADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)N(CC1CC1)C1CCCCC1 ZINC000737853286 598500348 /nfs/dbraw/zinc/50/03/48/598500348.db2.gz SGGJCCACJLENMF-UHFFFAOYSA-N -1 3 353.470 3.371 20 0 FGADHM CCSc1ccc(C(=O)Nc2sc(CC)cc2-c2nnn[n-]2)cn1 ZINC000736664717 598514202 /nfs/dbraw/zinc/51/42/02/598514202.db2.gz CMVRAPGXYSTXFR-UHFFFAOYSA-N -1 3 360.468 3.250 20 0 FGADHM CCSc1ccc(C(=O)Nc2sc(CC)cc2-c2nn[n-]n2)cn1 ZINC000736664717 598514203 /nfs/dbraw/zinc/51/42/03/598514203.db2.gz CMVRAPGXYSTXFR-UHFFFAOYSA-N -1 3 360.468 3.250 20 0 FGADHM CCc1c(C)sc(NC(=O)COc2ccccc2C)c1-c1nnn[n-]1 ZINC000736675186 598517716 /nfs/dbraw/zinc/51/77/16/598517716.db2.gz FZEIIMNIFQKKSN-UHFFFAOYSA-N -1 3 357.439 3.125 20 0 FGADHM CCc1c(C)sc(NC(=O)COc2ccccc2C)c1-c1nn[n-]n1 ZINC000736675186 598517718 /nfs/dbraw/zinc/51/77/18/598517718.db2.gz FZEIIMNIFQKKSN-UHFFFAOYSA-N -1 3 357.439 3.125 20 0 FGADHM CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000735797981 598519638 /nfs/dbraw/zinc/51/96/38/598519638.db2.gz TXCXACJLLOLJRF-VYDXJSESSA-N -1 3 371.485 3.355 20 0 FGADHM CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000735797981 598519640 /nfs/dbraw/zinc/51/96/40/598519640.db2.gz TXCXACJLLOLJRF-VYDXJSESSA-N -1 3 371.485 3.355 20 0 FGADHM CC(C)CC[C@@H]1CCC[C@H]1NC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000735796330 598526811 /nfs/dbraw/zinc/52/68/11/598526811.db2.gz AEFODJPVMIKWJA-DOTOQJQBSA-N -1 3 356.474 3.271 20 0 FGADHM CC(C)CC[C@@H]1CCC[C@H]1NC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000735796330 598526813 /nfs/dbraw/zinc/52/68/13/598526813.db2.gz AEFODJPVMIKWJA-DOTOQJQBSA-N -1 3 356.474 3.271 20 0 FGADHM C[C@H]1C[C@H]1NC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736237446 598534457 /nfs/dbraw/zinc/53/44/57/598534457.db2.gz OZLBARLIBMTWKZ-MEDUHNTESA-N -1 3 350.382 3.189 20 0 FGADHM C[C@H]1C[C@H]1NC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736237446 598534458 /nfs/dbraw/zinc/53/44/58/598534458.db2.gz OZLBARLIBMTWKZ-MEDUHNTESA-N -1 3 350.382 3.189 20 0 FGADHM Cc1ccc(C[C@H](C)NC(=O)C=Cc2ccccc2-c2nnn[n-]2)c(C)c1 ZINC000737333971 598535212 /nfs/dbraw/zinc/53/52/12/598535212.db2.gz DMTSEKXKUPAJOL-OFAQMXQXSA-N -1 3 361.449 3.244 20 0 FGADHM Cc1ccc(C[C@H](C)NC(=O)C=Cc2ccccc2-c2nn[n-]n2)c(C)c1 ZINC000737333971 598535214 /nfs/dbraw/zinc/53/52/14/598535214.db2.gz DMTSEKXKUPAJOL-OFAQMXQXSA-N -1 3 361.449 3.244 20 0 FGADHM CC[C@@H](C)[C@H](C)NC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000736335634 598540234 /nfs/dbraw/zinc/54/02/34/598540234.db2.gz ZDCGJNACVIXHBK-OLZOCXBDSA-N -1 3 369.425 3.203 20 0 FGADHM CN(CC(C)(C)C)C(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000736787489 598540794 /nfs/dbraw/zinc/54/07/94/598540794.db2.gz BHGWELWRQOCARN-UHFFFAOYSA-N -1 3 369.425 3.157 20 0 FGADHM C[C@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)C(C)(C)c1ccccc1 ZINC000736101618 598541659 /nfs/dbraw/zinc/54/16/59/598541659.db2.gz OKCINEIHQOGYNI-BUYIWHAFSA-N -1 3 361.449 3.362 20 0 FGADHM C[C@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)C(C)(C)c1ccccc1 ZINC000736101618 598541661 /nfs/dbraw/zinc/54/16/61/598541661.db2.gz OKCINEIHQOGYNI-BUYIWHAFSA-N -1 3 361.449 3.362 20 0 FGADHM O[C@@]1(CNc2ccc(Cl)cc2-c2nnn[n-]2)CCCc2ccccc21 ZINC000738390163 598557578 /nfs/dbraw/zinc/55/75/78/598557578.db2.gz PWEWXBYPBXAPML-GOSISDBHSA-N -1 3 355.829 3.156 20 0 FGADHM O[C@@]1(CNc2ccc(Cl)cc2-c2nn[n-]n2)CCCc2ccccc21 ZINC000738390163 598557580 /nfs/dbraw/zinc/55/75/80/598557580.db2.gz PWEWXBYPBXAPML-GOSISDBHSA-N -1 3 355.829 3.156 20 0 FGADHM CC[C@H]1CCCN(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)C1 ZINC000736400700 598562321 /nfs/dbraw/zinc/56/23/21/598562321.db2.gz AGSPBDHBWZONQE-JTQLQIEISA-N -1 3 366.372 3.122 20 0 FGADHM CC[C@H]1CCCN(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)C1 ZINC000736400700 598562322 /nfs/dbraw/zinc/56/23/22/598562322.db2.gz AGSPBDHBWZONQE-JTQLQIEISA-N -1 3 366.372 3.122 20 0 FGADHM C[C@@H]1C[C@H]1CNC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736235867 598563325 /nfs/dbraw/zinc/56/33/25/598563325.db2.gz HPFLVKSOFFMHRU-OCCSQVGLSA-N -1 3 364.409 3.437 20 0 FGADHM C[C@@H]1C[C@H]1CNC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736235867 598563327 /nfs/dbraw/zinc/56/33/27/598563327.db2.gz HPFLVKSOFFMHRU-OCCSQVGLSA-N -1 3 364.409 3.437 20 0 FGADHM COc1ccc2cc(CNc3nc4ccccn4c3-c3nnn[n-]3)ccc2c1 ZINC000737119811 598567017 /nfs/dbraw/zinc/56/70/17/598567017.db2.gz HEIDHUMQDCKSGU-UHFFFAOYSA-N -1 3 371.404 3.288 20 0 FGADHM COc1ccc2cc(CNc3nc4ccccn4c3-c3nn[n-]n3)ccc2c1 ZINC000737119811 598567018 /nfs/dbraw/zinc/56/70/18/598567018.db2.gz HEIDHUMQDCKSGU-UHFFFAOYSA-N -1 3 371.404 3.288 20 0 FGADHM O=C(CCCCCc1cccs1)NCc1cccc(-c2nnn[n-]2)c1 ZINC000737824006 598568756 /nfs/dbraw/zinc/56/87/56/598568756.db2.gz DDXFDRSMJCBZMZ-UHFFFAOYSA-N -1 3 355.467 3.348 20 0 FGADHM O=C(CCCCCc1cccs1)NCc1cccc(-c2nn[n-]n2)c1 ZINC000737824006 598568758 /nfs/dbraw/zinc/56/87/58/598568758.db2.gz DDXFDRSMJCBZMZ-UHFFFAOYSA-N -1 3 355.467 3.348 20 0 FGADHM O=C(CSc1nccn1-c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737953246 598569806 /nfs/dbraw/zinc/56/98/06/598569806.db2.gz JDWOKLKZOLFHCM-UHFFFAOYSA-N -1 3 362.418 3.027 20 0 FGADHM O=C(CSc1nccn1-c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737953246 598569808 /nfs/dbraw/zinc/56/98/08/598569808.db2.gz JDWOKLKZOLFHCM-UHFFFAOYSA-N -1 3 362.418 3.027 20 0 FGADHM Fc1ccc(NC(=S)Nc2ccc3c(c2)CCC3)cc1-c1nnn[n-]1 ZINC000737658625 598582729 /nfs/dbraw/zinc/58/27/29/598582729.db2.gz FETCUTHSHVZBPF-UHFFFAOYSA-N -1 3 354.414 3.303 20 0 FGADHM Fc1ccc(NC(=S)Nc2ccc3c(c2)CCC3)cc1-c1nn[n-]n1 ZINC000737658625 598582730 /nfs/dbraw/zinc/58/27/30/598582730.db2.gz FETCUTHSHVZBPF-UHFFFAOYSA-N -1 3 354.414 3.303 20 0 FGADHM O=C(Cc1ccc2c(c1)CCCC2)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737967058 598589985 /nfs/dbraw/zinc/58/99/85/598589985.db2.gz TYVOGUPRQGFOOG-UHFFFAOYSA-N -1 3 351.385 3.066 20 0 FGADHM O=C(Cc1ccc2c(c1)CCCC2)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737967058 598589987 /nfs/dbraw/zinc/58/99/87/598589987.db2.gz TYVOGUPRQGFOOG-UHFFFAOYSA-N -1 3 351.385 3.066 20 0 FGADHM Cc1cc(OCc2cccc(-c3nnn[n-]3)c2)ccc1NC(=O)c1cc[nH]c1 ZINC000737279810 598590019 /nfs/dbraw/zinc/59/00/19/598590019.db2.gz NEBABEGJIAIECH-UHFFFAOYSA-N -1 3 374.404 3.335 20 0 FGADHM Cc1cc(OCc2cccc(-c3nn[n-]n3)c2)ccc1NC(=O)c1cc[nH]c1 ZINC000737279810 598590021 /nfs/dbraw/zinc/59/00/21/598590021.db2.gz NEBABEGJIAIECH-UHFFFAOYSA-N -1 3 374.404 3.335 20 0 FGADHM C[C@H]1C[C@H]1C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000736236905 598593416 /nfs/dbraw/zinc/59/34/16/598593416.db2.gz TWPYDPINSSCYPM-XHDPSFHLSA-N -1 3 367.384 3.179 20 0 FGADHM C[C@H]1C[C@H]1C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000736236905 598593418 /nfs/dbraw/zinc/59/34/18/598593418.db2.gz TWPYDPINSSCYPM-XHDPSFHLSA-N -1 3 367.384 3.179 20 0 FGADHM O=C(NCC1(Sc2ccccc2)CC1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000738041288 598598443 /nfs/dbraw/zinc/59/84/43/598598443.db2.gz YFMCVLVFBWXZSD-UHFFFAOYSA-N -1 3 366.450 3.313 20 0 FGADHM O=C(NCC1(Sc2ccccc2)CC1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000738041288 598598445 /nfs/dbraw/zinc/59/84/45/598598445.db2.gz YFMCVLVFBWXZSD-UHFFFAOYSA-N -1 3 366.450 3.313 20 0 FGADHM O=C(CNc1ccc(F)c(-c2nnn[n-]2)c1)Nc1ccc2ccccc2c1 ZINC000737898247 598603595 /nfs/dbraw/zinc/60/35/95/598603595.db2.gz GLTMAYIAFMFTOH-UHFFFAOYSA-N -1 3 362.368 3.210 20 0 FGADHM O=C(CNc1ccc(F)c(-c2nn[n-]n2)c1)Nc1ccc2ccccc2c1 ZINC000737898247 598603597 /nfs/dbraw/zinc/60/35/97/598603597.db2.gz GLTMAYIAFMFTOH-UHFFFAOYSA-N -1 3 362.368 3.210 20 0 FGADHM Fc1ccc(NCc2nc(-c3ccc(Cl)cc3)no2)cc1-c1nnn[n-]1 ZINC000737656964 598603679 /nfs/dbraw/zinc/60/36/79/598603679.db2.gz RGQDFZBZNRQXSI-UHFFFAOYSA-N -1 3 371.763 3.321 20 0 FGADHM Fc1ccc(NCc2nc(-c3ccc(Cl)cc3)no2)cc1-c1nn[n-]n1 ZINC000737656964 598603681 /nfs/dbraw/zinc/60/36/81/598603681.db2.gz RGQDFZBZNRQXSI-UHFFFAOYSA-N -1 3 371.763 3.321 20 0 FGADHM COc1ccccc1-c1noc([C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737138225 598607504 /nfs/dbraw/zinc/60/75/04/598607504.db2.gz LQDLHRJPFUXPQI-LLVKDONJSA-N -1 3 364.365 3.065 20 0 FGADHM CCC[C@@H]1CCCC[C@H]1NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC000736437714 598622596 /nfs/dbraw/zinc/62/25/96/598622596.db2.gz WUGQUMBTPPIMGN-TZMCWYRMSA-N -1 3 358.446 3.356 20 0 FGADHM CCC[C@@H]1CCCC[C@H]1NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC000736437714 598622597 /nfs/dbraw/zinc/62/25/97/598622597.db2.gz WUGQUMBTPPIMGN-TZMCWYRMSA-N -1 3 358.446 3.356 20 0 FGADHM O=C(NCc1ccc(F)c(Cl)c1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738104374 598627083 /nfs/dbraw/zinc/62/70/83/598627083.db2.gz WWTYQUQVFFXKNV-UHFFFAOYSA-N -1 3 364.743 3.120 20 0 FGADHM O=C(NCc1ccc(F)c(Cl)c1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738104374 598627085 /nfs/dbraw/zinc/62/70/85/598627085.db2.gz WWTYQUQVFFXKNV-UHFFFAOYSA-N -1 3 364.743 3.120 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N1CCC(c2ccccc2)CC1 ZINC000738164016 598632133 /nfs/dbraw/zinc/63/21/33/598632133.db2.gz WLWVQDXKKHIFQV-UHFFFAOYSA-N -1 3 366.400 3.417 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N1CCC(c2ccccc2)CC1 ZINC000738164016 598632134 /nfs/dbraw/zinc/63/21/34/598632134.db2.gz WLWVQDXKKHIFQV-UHFFFAOYSA-N -1 3 366.400 3.417 20 0 FGADHM CC(C)c1ccc(CNC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000735928454 598633541 /nfs/dbraw/zinc/63/35/41/598633541.db2.gz NAJQYAOHIPXWAI-UHFFFAOYSA-N -1 3 354.389 3.451 20 0 FGADHM CC(C)c1ccc(CNC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000735928454 598633543 /nfs/dbraw/zinc/63/35/43/598633543.db2.gz NAJQYAOHIPXWAI-UHFFFAOYSA-N -1 3 354.389 3.451 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N[C@H]1CCSc2ccccc21 ZINC000738168280 598634845 /nfs/dbraw/zinc/63/48/45/598634845.db2.gz YBELFIREPBGQFT-AWEZNQCLSA-N -1 3 370.413 3.364 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N[C@H]1CCSc2ccccc21 ZINC000738168280 598634847 /nfs/dbraw/zinc/63/48/47/598634847.db2.gz YBELFIREPBGQFT-AWEZNQCLSA-N -1 3 370.413 3.364 20 0 FGADHM Cc1sc(NC(=O)c2cccnc2OCC(C)C)c(-c2nnn[n-]2)c1C ZINC000737561788 598648093 /nfs/dbraw/zinc/64/80/93/598648093.db2.gz IGOUWEWIQSCLOF-UHFFFAOYSA-N -1 3 372.454 3.227 20 0 FGADHM Cc1sc(NC(=O)c2cccnc2OCC(C)C)c(-c2nn[n-]n2)c1C ZINC000737561788 598648095 /nfs/dbraw/zinc/64/80/95/598648095.db2.gz IGOUWEWIQSCLOF-UHFFFAOYSA-N -1 3 372.454 3.227 20 0 FGADHM CC(=O)c1ccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(C)C)cc1 ZINC000735496199 598654000 /nfs/dbraw/zinc/65/40/00/598654000.db2.gz XVTBZEFUCUYFCH-UHFFFAOYSA-N -1 3 365.393 3.109 20 0 FGADHM CC[C@@H](Oc1ccccc1C(C)C)C(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000736391783 598659587 /nfs/dbraw/zinc/65/95/87/598659587.db2.gz OJEPBTCVSNCVPL-OAHLLOKOSA-N -1 3 366.425 3.181 20 0 FGADHM CC[C@@H](Oc1ccccc1C(C)C)C(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000736391783 598659589 /nfs/dbraw/zinc/65/95/89/598659589.db2.gz OJEPBTCVSNCVPL-OAHLLOKOSA-N -1 3 366.425 3.181 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cn1)C1(c2ccc(F)cc2)CCCCC1 ZINC000738150857 598659890 /nfs/dbraw/zinc/65/98/90/598659890.db2.gz KGMUAHDEZCHXTL-UHFFFAOYSA-N -1 3 366.400 3.241 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cn1)C1(c2ccc(F)cc2)CCCCC1 ZINC000738150857 598659891 /nfs/dbraw/zinc/65/98/91/598659891.db2.gz KGMUAHDEZCHXTL-UHFFFAOYSA-N -1 3 366.400 3.241 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cn1)c1ccc(-c2ccc(F)cc2)s1 ZINC000738151493 598664202 /nfs/dbraw/zinc/66/42/02/598664202.db2.gz LAAZTNOAPVTGDX-UHFFFAOYSA-N -1 3 366.381 3.382 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cn1)c1ccc(-c2ccc(F)cc2)s1 ZINC000738151493 598664204 /nfs/dbraw/zinc/66/42/04/598664204.db2.gz LAAZTNOAPVTGDX-UHFFFAOYSA-N -1 3 366.381 3.382 20 0 FGADHM Fc1ccccc1[C@@H]1CN(c2ccc(-c3nnn[n-]3)c(Cl)c2)CCO1 ZINC000737668444 598671249 /nfs/dbraw/zinc/67/12/49/598671249.db2.gz GCZHZPNJCRAQBF-INIZCTEOSA-N -1 3 359.792 3.237 20 0 FGADHM Fc1ccccc1[C@@H]1CN(c2ccc(-c3nn[n-]n3)c(Cl)c2)CCO1 ZINC000737668444 598671251 /nfs/dbraw/zinc/67/12/51/598671251.db2.gz GCZHZPNJCRAQBF-INIZCTEOSA-N -1 3 359.792 3.237 20 0 FGADHM O[C@@H](CNc1ccc(-c2nn[n-]n2)cc1F)c1ccc(Cl)cc1Cl ZINC000738385141 598678772 /nfs/dbraw/zinc/67/87/72/598678772.db2.gz WCSIRFMVWFJWRQ-AWEZNQCLSA-N -1 3 368.199 3.458 20 0 FGADHM Cc1cc(C(=O)CSCc2ccc(F)cc2-c2nnn[n-]2)c(C)n1C ZINC000737227142 598698148 /nfs/dbraw/zinc/69/81/48/598698148.db2.gz JAQOJOSVJJLXBA-UHFFFAOYSA-N -1 3 359.430 3.077 20 0 FGADHM Cc1cc(C(=O)CSCc2ccc(F)cc2-c2nn[n-]n2)c(C)n1C ZINC000737227142 598698149 /nfs/dbraw/zinc/69/81/49/598698149.db2.gz JAQOJOSVJJLXBA-UHFFFAOYSA-N -1 3 359.430 3.077 20 0 FGADHM Cc1ccccc1NC(=O)CSCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737436245 598698418 /nfs/dbraw/zinc/69/84/18/598698418.db2.gz PBCGPKWMNQDVDB-UHFFFAOYSA-N -1 3 357.414 3.186 20 0 FGADHM Cc1ccccc1NC(=O)CSCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737436245 598698419 /nfs/dbraw/zinc/69/84/19/598698419.db2.gz PBCGPKWMNQDVDB-UHFFFAOYSA-N -1 3 357.414 3.186 20 0 FGADHM Cc1cccc2[nH]cc(CCNC(=O)Nc3ccc(-c4nnn[n-]4)cc3)c21 ZINC000737407252 598699594 /nfs/dbraw/zinc/69/95/94/598699594.db2.gz BOECFPHSVLNCMU-UHFFFAOYSA-N -1 3 361.409 3.021 20 0 FGADHM Cc1cccc2[nH]cc(CCNC(=O)Nc3ccc(-c4nn[n-]n4)cc3)c21 ZINC000737407252 598699595 /nfs/dbraw/zinc/69/95/95/598699595.db2.gz BOECFPHSVLNCMU-UHFFFAOYSA-N -1 3 361.409 3.021 20 0 FGADHM O=C(OCC(F)(F)F)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000738221864 598712694 /nfs/dbraw/zinc/71/26/94/598712694.db2.gz ZLLVULKHMIJRHJ-UHFFFAOYSA-N -1 3 364.283 3.378 20 0 FGADHM O=C(OCC(F)(F)F)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738221864 598712696 /nfs/dbraw/zinc/71/26/96/598712696.db2.gz ZLLVULKHMIJRHJ-UHFFFAOYSA-N -1 3 364.283 3.378 20 0 FGADHM Cc1nc2c(s1)[C@H](N(C)C(=O)Nc1cccc(-c3nnn[n-]3)c1)CCC2 ZINC000737488637 598715543 /nfs/dbraw/zinc/71/55/43/598715543.db2.gz UANHIAHMCZIVMA-CQSZACIVSA-N -1 3 369.454 3.173 20 0 FGADHM Cc1nc2c(s1)[C@H](N(C)C(=O)Nc1cccc(-c3nn[n-]n3)c1)CCC2 ZINC000737488637 598715544 /nfs/dbraw/zinc/71/55/44/598715544.db2.gz UANHIAHMCZIVMA-CQSZACIVSA-N -1 3 369.454 3.173 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NC(C)(C)c1ccc(F)cc1 ZINC000737291195 598717266 /nfs/dbraw/zinc/71/72/66/598717266.db2.gz JESIIOUTLWFXLG-UHFFFAOYSA-N -1 3 354.389 3.371 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NC(C)(C)c1ccc(F)cc1 ZINC000737291195 598717267 /nfs/dbraw/zinc/71/72/67/598717267.db2.gz JESIIOUTLWFXLG-UHFFFAOYSA-N -1 3 354.389 3.371 20 0 FGADHM CC[C@@H](CC(=O)Oc1ccc(-c2nnn[n-]2)cc1OC)c1ccccc1 ZINC000736335422 598734629 /nfs/dbraw/zinc/73/46/29/598734629.db2.gz RNQYSVLLQZQUIN-ZDUSSCGKSA-N -1 3 352.394 3.365 20 0 FGADHM CC[C@@H](CC(=O)Oc1ccc(-c2nn[n-]n2)cc1OC)c1ccccc1 ZINC000736335422 598734630 /nfs/dbraw/zinc/73/46/30/598734630.db2.gz RNQYSVLLQZQUIN-ZDUSSCGKSA-N -1 3 352.394 3.365 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccc(F)c(C)c1 ZINC000736482189 598736232 /nfs/dbraw/zinc/73/62/32/598736232.db2.gz XCDGIYXQIDHLKK-UHFFFAOYSA-N -1 3 353.401 3.367 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccc(F)c(C)c1 ZINC000736482189 598736233 /nfs/dbraw/zinc/73/62/33/598736233.db2.gz XCDGIYXQIDHLKK-UHFFFAOYSA-N -1 3 353.401 3.367 20 0 FGADHM CCS[C@H]1CCCCN(C(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736665000 598750339 /nfs/dbraw/zinc/75/03/39/598750339.db2.gz NJIOJYXFIOIYEZ-CJNGLKHVSA-N -1 3 374.514 3.245 20 0 FGADHM CCS[C@H]1CCCCN(C(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736665000 598750340 /nfs/dbraw/zinc/75/03/40/598750340.db2.gz NJIOJYXFIOIYEZ-CJNGLKHVSA-N -1 3 374.514 3.245 20 0 FGADHM Cc1ccccc1[C@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)C1CC1 ZINC000737420685 598764724 /nfs/dbraw/zinc/76/47/24/598764724.db2.gz IYLXVKLXESHIDK-GHYICZDASA-N -1 3 359.433 3.456 20 0 FGADHM Cc1ccccc1[C@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)C1CC1 ZINC000737420685 598764727 /nfs/dbraw/zinc/76/47/27/598764727.db2.gz IYLXVKLXESHIDK-GHYICZDASA-N -1 3 359.433 3.456 20 0 FGADHM Cc1ccccc1[C@@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)C1CC1 ZINC000737420686 598765011 /nfs/dbraw/zinc/76/50/11/598765011.db2.gz IYLXVKLXESHIDK-SJFMBGHLSA-N -1 3 359.433 3.456 20 0 FGADHM Cc1ccccc1[C@@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)C1CC1 ZINC000737420686 598765012 /nfs/dbraw/zinc/76/50/12/598765012.db2.gz IYLXVKLXESHIDK-SJFMBGHLSA-N -1 3 359.433 3.456 20 0 FGADHM CC[C@@H](CC(=O)OCCOc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000736329966 598780396 /nfs/dbraw/zinc/78/03/96/598780396.db2.gz BPQUTGFJWBANDS-HNNXBMFYSA-N -1 3 366.421 3.373 20 0 FGADHM C[C@H](NC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cccc(O)c1 ZINC000736114849 598780874 /nfs/dbraw/zinc/78/08/74/598780874.db2.gz CXEALHJUAYLZDS-VIFPVBQESA-N -1 3 358.789 3.108 20 0 FGADHM C[C@H](NC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cccc(O)c1 ZINC000736114849 598780876 /nfs/dbraw/zinc/78/08/76/598780876.db2.gz CXEALHJUAYLZDS-VIFPVBQESA-N -1 3 358.789 3.108 20 0 FGADHM C[C@H](OC(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1)C1CC1 ZINC000736162929 598785058 /nfs/dbraw/zinc/78/50/58/598785058.db2.gz KLKNBBACJNMDAW-ZDUSSCGKSA-N -1 3 364.405 3.401 20 0 FGADHM C[C@H](OC(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1)C1CC1 ZINC000736162929 598785060 /nfs/dbraw/zinc/78/50/60/598785060.db2.gz KLKNBBACJNMDAW-ZDUSSCGKSA-N -1 3 364.405 3.401 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H]1CCc2ccccc21 ZINC000736480500 598789969 /nfs/dbraw/zinc/78/99/69/598789969.db2.gz QKJAHWUWSFVLHY-IBGZPJMESA-N -1 3 361.449 3.335 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H]1CCc2ccccc21 ZINC000736480500 598789970 /nfs/dbraw/zinc/78/99/70/598789970.db2.gz QKJAHWUWSFVLHY-IBGZPJMESA-N -1 3 361.449 3.335 20 0 FGADHM CCc1c(C)sc(NC(=O)CO[C@@H]2CCC[C@@H](C)C2)c1-c1nnn[n-]1 ZINC000736672217 598791414 /nfs/dbraw/zinc/79/14/14/598791414.db2.gz ZZOJAQZTXKUBDG-ZYHUDNBSSA-N -1 3 363.487 3.333 20 0 FGADHM CCc1c(C)sc(NC(=O)CO[C@@H]2CCC[C@@H](C)C2)c1-c1nn[n-]n1 ZINC000736672217 598791416 /nfs/dbraw/zinc/79/14/16/598791416.db2.gz ZZOJAQZTXKUBDG-ZYHUDNBSSA-N -1 3 363.487 3.333 20 0 FGADHM Clc1ccc(NCc2ccn(-c3ccccc3)n2)c(-c2nnn[n-]2)c1 ZINC000737574704 598794970 /nfs/dbraw/zinc/79/49/70/598794970.db2.gz OHQCGAZWHRGQLT-UHFFFAOYSA-N -1 3 351.801 3.318 20 0 FGADHM Clc1ccc(NCc2ccn(-c3ccccc3)n2)c(-c2nn[n-]n2)c1 ZINC000737574704 598794972 /nfs/dbraw/zinc/79/49/72/598794972.db2.gz OHQCGAZWHRGQLT-UHFFFAOYSA-N -1 3 351.801 3.318 20 0 FGADHM CN(C[C@H]1OCCc2ccccc21)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000736790447 598795487 /nfs/dbraw/zinc/79/54/87/598795487.db2.gz HXQUITQWRRZARY-QGZVFWFLSA-N -1 3 355.829 3.270 20 0 FGADHM CN(C[C@H]1OCCc2ccccc21)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000736790447 598795488 /nfs/dbraw/zinc/79/54/88/598795488.db2.gz HXQUITQWRRZARY-QGZVFWFLSA-N -1 3 355.829 3.270 20 0 FGADHM O=C(O[C@H]1CCSC1)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000738220797 598799758 /nfs/dbraw/zinc/79/97/58/598799758.db2.gz UWJJTJAYDITTDD-LBPRGKRZSA-N -1 3 352.419 3.196 20 0 FGADHM O=C(O[C@H]1CCSC1)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000738220797 598799760 /nfs/dbraw/zinc/79/97/60/598799760.db2.gz UWJJTJAYDITTDD-LBPRGKRZSA-N -1 3 352.419 3.196 20 0 FGADHM CCC[C@@H](NC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccccn1 ZINC000736431970 598800265 /nfs/dbraw/zinc/80/02/65/598800265.db2.gz YSRZGRNEQXJYNK-SUMWQHHRSA-N -1 3 365.441 3.163 20 0 FGADHM CCC[C@@H](NC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccccn1 ZINC000736431970 598800268 /nfs/dbraw/zinc/80/02/68/598800268.db2.gz YSRZGRNEQXJYNK-SUMWQHHRSA-N -1 3 365.441 3.163 20 0 FGADHM CCc1c(C)sc(NC(=O)CCc2csc(C)n2)c1-c1nnn[n-]1 ZINC000736669465 598805385 /nfs/dbraw/zinc/80/53/85/598805385.db2.gz IHWPSTDIVJHFKA-UHFFFAOYSA-N -1 3 362.484 3.135 20 0 FGADHM CCc1c(C)sc(NC(=O)CCc2csc(C)n2)c1-c1nn[n-]n1 ZINC000736669465 598805386 /nfs/dbraw/zinc/80/53/86/598805386.db2.gz IHWPSTDIVJHFKA-UHFFFAOYSA-N -1 3 362.484 3.135 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)Nc1ccc(OCC2CC2)cc1 ZINC000737803877 598806773 /nfs/dbraw/zinc/80/67/73/598806773.db2.gz WGIJKSVIMBWBJV-GHXNOFRVSA-N -1 3 361.405 3.307 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)Nc1ccc(OCC2CC2)cc1 ZINC000737803877 598806775 /nfs/dbraw/zinc/80/67/75/598806775.db2.gz WGIJKSVIMBWBJV-GHXNOFRVSA-N -1 3 361.405 3.307 20 0 FGADHM C[C@H]1CCCC[C@H]1CC(=O)Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000736263621 598808744 /nfs/dbraw/zinc/80/87/44/598808744.db2.gz RNNJDYFJXITWQB-ZFWWWQNUSA-N -1 3 365.441 3.207 20 0 FGADHM CC[C@@H](C)[C@@H](C)NC(=O)c1cc(C2CC2)nc(SC)c1-c1nnn[n-]1 ZINC000736326089 598810355 /nfs/dbraw/zinc/81/03/55/598810355.db2.gz BIYIFZPYBCPBLL-NXEZZACHSA-N -1 3 360.487 3.025 20 0 FGADHM CN(CCc1ccc(Cl)cc1)C(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000736804411 598822150 /nfs/dbraw/zinc/82/21/50/598822150.db2.gz NPQFUAVHZRSUHR-UHFFFAOYSA-N -1 3 372.885 3.391 20 0 FGADHM CN(CCc1ccc(Cl)cc1)C(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000736804411 598822151 /nfs/dbraw/zinc/82/21/51/598822151.db2.gz NPQFUAVHZRSUHR-UHFFFAOYSA-N -1 3 372.885 3.391 20 0 FGADHM CCOc1cc(C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)ccc1C ZINC000736628318 598822762 /nfs/dbraw/zinc/82/27/62/598822762.db2.gz WKHVXSASFYGZIZ-UHFFFAOYSA-N -1 3 368.441 3.383 20 0 FGADHM CCOc1cc(C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)ccc1C ZINC000736628318 598822763 /nfs/dbraw/zinc/82/27/63/598822763.db2.gz WKHVXSASFYGZIZ-UHFFFAOYSA-N -1 3 368.441 3.383 20 0 FGADHM C[C@H]1SCCN(C(=O)c2sccc2-c2nnn[n-]2)[C@@H]1c1ccccc1 ZINC000736304428 599302792 /nfs/dbraw/zinc/30/27/92/599302792.db2.gz VXMYNSKEZYNPAD-RISCZKNCSA-N -1 3 371.491 3.247 20 0 FGADHM C[C@H]1SCCN(C(=O)c2sccc2-c2nn[n-]n2)[C@@H]1c1ccccc1 ZINC000736304428 599302795 /nfs/dbraw/zinc/30/27/95/599302795.db2.gz VXMYNSKEZYNPAD-RISCZKNCSA-N -1 3 371.491 3.247 20 0 FGADHM CC(C)(C)[C@H]1OCCC[C@@H]1CNc1c(F)cc(-c2nnn[n-]2)cc1F ZINC000735597951 599304641 /nfs/dbraw/zinc/30/46/41/599304641.db2.gz URVKSPABWXAVQH-BMIGLBTASA-N -1 3 351.401 3.398 20 0 FGADHM CC(C)(C)[C@H]1OCCC[C@@H]1CNc1c(F)cc(-c2nn[n-]n2)cc1F ZINC000735597951 599304643 /nfs/dbraw/zinc/30/46/43/599304643.db2.gz URVKSPABWXAVQH-BMIGLBTASA-N -1 3 351.401 3.398 20 0 FGADHM C[C@@H](SCC(=O)NC1CCCCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736187932 599327503 /nfs/dbraw/zinc/32/75/03/599327503.db2.gz DGYIKOVZUIVVPV-CYBMUJFWSA-N -1 3 359.499 3.500 20 0 FGADHM C[C@@H](SCC(=O)NC1CCCCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736187932 599327506 /nfs/dbraw/zinc/32/75/06/599327506.db2.gz DGYIKOVZUIVVPV-CYBMUJFWSA-N -1 3 359.499 3.500 20 0 FGADHM O=C(CSc1ccccc1-c1nnn[n-]1)Nc1nc2ccccc2s1 ZINC000823070727 599345970 /nfs/dbraw/zinc/34/59/70/599345970.db2.gz LDEQEALQNKCPIC-UHFFFAOYSA-N -1 3 368.447 3.207 20 0 FGADHM O=C(CSc1ccccc1-c1nn[n-]n1)Nc1nc2ccccc2s1 ZINC000823070727 599345971 /nfs/dbraw/zinc/34/59/71/599345971.db2.gz LDEQEALQNKCPIC-UHFFFAOYSA-N -1 3 368.447 3.207 20 0 FGADHM Cc1csc(C2(NC(=O)Nc3ccc(-c4nnn[n-]4)cc3)CCCC2)n1 ZINC000737454748 599348156 /nfs/dbraw/zinc/34/81/56/599348156.db2.gz FZFDRTPYKWLSNX-UHFFFAOYSA-N -1 3 369.454 3.223 20 0 FGADHM Cc1csc(C2(NC(=O)Nc3ccc(-c4nn[n-]n4)cc3)CCCC2)n1 ZINC000737454748 599348159 /nfs/dbraw/zinc/34/81/59/599348159.db2.gz FZFDRTPYKWLSNX-UHFFFAOYSA-N -1 3 369.454 3.223 20 0 FGADHM O=C1[C@@H](Sc2ccccc2-c2nnn[n-]2)CCCN1c1ccccc1 ZINC000823511113 599351617 /nfs/dbraw/zinc/35/16/17/599351617.db2.gz CUAMSXPHWLYRIX-INIZCTEOSA-N -1 3 351.435 3.154 20 0 FGADHM O=C1[C@@H](Sc2ccccc2-c2nn[n-]n2)CCCN1c1ccccc1 ZINC000823511113 599351620 /nfs/dbraw/zinc/35/16/20/599351620.db2.gz CUAMSXPHWLYRIX-INIZCTEOSA-N -1 3 351.435 3.154 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1CNc1c(F)cccc1N1CCCC1 ZINC000821731899 607371089 /nfs/dbraw/zinc/37/10/89/607371089.db2.gz IJJQXGJYLCNZAK-UHFFFAOYSA-N -1 3 368.416 3.227 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1CNc1c(F)cccc1N1CCCC1 ZINC000821731899 607371092 /nfs/dbraw/zinc/37/10/92/607371092.db2.gz IJJQXGJYLCNZAK-UHFFFAOYSA-N -1 3 368.416 3.227 20 0 FGADHM C[C@@H](Nc1ccc(NC(=O)NC2CC2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820454995 599365213 /nfs/dbraw/zinc/36/52/13/599365213.db2.gz APGUSQUGJBFINN-GFCCVEGCSA-N -1 3 363.425 3.324 20 0 FGADHM C[C@@H](Nc1ccc(NC(=O)NC2CC2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820454995 599365214 /nfs/dbraw/zinc/36/52/14/599365214.db2.gz APGUSQUGJBFINN-GFCCVEGCSA-N -1 3 363.425 3.324 20 0 FGADHM Fc1ccc(CSc2ncccc2Br)c(-c2nnn[n-]2)c1 ZINC000737647388 599370472 /nfs/dbraw/zinc/37/04/72/599370472.db2.gz DFUBIPXLFRJXJO-UHFFFAOYSA-N -1 3 366.219 3.456 20 0 FGADHM Fc1ccc(CSc2ncccc2Br)c(-c2nn[n-]n2)c1 ZINC000737647388 599370473 /nfs/dbraw/zinc/37/04/73/599370473.db2.gz DFUBIPXLFRJXJO-UHFFFAOYSA-N -1 3 366.219 3.456 20 0 FGADHM C[C@H](CCC(C)(C)C)NC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000735986019 599380166 /nfs/dbraw/zinc/38/01/66/599380166.db2.gz PILJBVLXWQXUPZ-CYBMUJFWSA-N -1 3 361.515 3.431 20 0 FGADHM C[C@H](CCC(C)(C)C)NC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000735986019 599380168 /nfs/dbraw/zinc/38/01/68/599380168.db2.gz PILJBVLXWQXUPZ-CYBMUJFWSA-N -1 3 361.515 3.431 20 0 FGADHM Cc1cc(O)ccc1NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000822210568 599381295 /nfs/dbraw/zinc/38/12/95/599381295.db2.gz IBXYXCUWMWZHLP-UHFFFAOYSA-N -1 3 367.409 3.069 20 0 FGADHM Cc1cc(O)ccc1NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000822210568 599381298 /nfs/dbraw/zinc/38/12/98/599381298.db2.gz IBXYXCUWMWZHLP-UHFFFAOYSA-N -1 3 367.409 3.069 20 0 FGADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OCc1sc(C)nc1C ZINC000821699200 599382155 /nfs/dbraw/zinc/38/21/55/599382155.db2.gz GEEHBZKEMQYGDG-UHFFFAOYSA-N -1 3 351.819 3.181 20 0 FGADHM Cc1cc(Cl)ccc1OCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000822202045 599382275 /nfs/dbraw/zinc/38/22/75/599382275.db2.gz IRWRNXJOWDQHCI-UHFFFAOYSA-N -1 3 368.784 3.458 20 0 FGADHM Cc1cc(Cl)ccc1OCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822202045 599382278 /nfs/dbraw/zinc/38/22/78/599382278.db2.gz IRWRNXJOWDQHCI-UHFFFAOYSA-N -1 3 368.784 3.458 20 0 FGADHM COc1ccc([C@H](NCc2ccc(-c3nnn[n-]3)o2)c2ccccc2)cc1 ZINC000821777153 599393212 /nfs/dbraw/zinc/39/32/12/599393212.db2.gz BFPFPXHCCMFZMV-LJQANCHMSA-N -1 3 361.405 3.348 20 0 FGADHM COc1ccc([C@H](NCc2ccc(-c3nn[n-]n3)o2)c2ccccc2)cc1 ZINC000821777153 599393214 /nfs/dbraw/zinc/39/32/14/599393214.db2.gz BFPFPXHCCMFZMV-LJQANCHMSA-N -1 3 361.405 3.348 20 0 FGADHM C[C@H](CCc1ccccc1)NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820253099 599398512 /nfs/dbraw/zinc/39/85/12/599398512.db2.gz FLDFQWZZBYDOAF-CABCVRRESA-N -1 3 364.453 3.248 20 0 FGADHM C[C@H](CCc1ccccc1)NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820253099 599398516 /nfs/dbraw/zinc/39/85/16/599398516.db2.gz FLDFQWZZBYDOAF-CABCVRRESA-N -1 3 364.453 3.248 20 0 FGADHM c1ccc2c(c1)nc(NCc1ccc(N3CCCC3)nc1)cc2-c1nnn[n-]1 ZINC000738432556 599406197 /nfs/dbraw/zinc/40/61/97/599406197.db2.gz HAGPHHHPEUUWOV-UHFFFAOYSA-N -1 3 372.436 3.022 20 0 FGADHM c1ccc2c(c1)nc(NCc1ccc(N3CCCC3)nc1)cc2-c1nn[n-]n1 ZINC000738432556 599406200 /nfs/dbraw/zinc/40/62/00/599406200.db2.gz HAGPHHHPEUUWOV-UHFFFAOYSA-N -1 3 372.436 3.022 20 0 FGADHM O=C(NC1CC1)c1cccc(CNc2cc(Cl)ccc2-c2nnn[n-]2)c1 ZINC000738022768 599412741 /nfs/dbraw/zinc/41/27/41/599412741.db2.gz SQJVXYXXDRVTSM-UHFFFAOYSA-N -1 3 368.828 3.024 20 0 FGADHM O=C(NC1CC1)c1cccc(CNc2cc(Cl)ccc2-c2nn[n-]n2)c1 ZINC000738022768 599412744 /nfs/dbraw/zinc/41/27/44/599412744.db2.gz SQJVXYXXDRVTSM-UHFFFAOYSA-N -1 3 368.828 3.024 20 0 FGADHM Fc1cc(CNc2cc(Cl)ccc2-c2nnn[n-]2)ccc1-n1ccnc1 ZINC000737645093 599416500 /nfs/dbraw/zinc/41/65/00/599416500.db2.gz RAHHRJQDOBGHJR-UHFFFAOYSA-N -1 3 369.791 3.457 20 0 FGADHM Fc1cc(CNc2cc(Cl)ccc2-c2nn[n-]n2)ccc1-n1ccnc1 ZINC000737645093 599416503 /nfs/dbraw/zinc/41/65/03/599416503.db2.gz RAHHRJQDOBGHJR-UHFFFAOYSA-N -1 3 369.791 3.457 20 0 FGADHM C[C@H](NC(=O)N1C[C@H](C)[C@H]1c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820341319 599419171 /nfs/dbraw/zinc/41/91/71/599419171.db2.gz PZJGLJFSEBVVOR-DEYYWGMASA-N -1 3 362.437 3.330 20 0 FGADHM C[C@H](NC(=O)N1C[C@H](C)[C@H]1c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820341319 599419172 /nfs/dbraw/zinc/41/91/72/599419172.db2.gz PZJGLJFSEBVVOR-DEYYWGMASA-N -1 3 362.437 3.330 20 0 FGADHM Cc1ccc(CCNC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c(C)c1 ZINC000822236218 599426249 /nfs/dbraw/zinc/42/62/49/599426249.db2.gz OTWYWAWIRFNOEW-HNNXBMFYSA-N -1 3 364.453 3.086 20 0 FGADHM Cc1ccc(CCNC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c(C)c1 ZINC000822236218 599426252 /nfs/dbraw/zinc/42/62/52/599426252.db2.gz OTWYWAWIRFNOEW-HNNXBMFYSA-N -1 3 364.453 3.086 20 0 FGADHM C[C@H](NC(=O)N[C@H]1CCc2ccc(F)cc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820358898 599436768 /nfs/dbraw/zinc/43/67/68/599436768.db2.gz QEKOMCMYQRKXRN-GTNSWQLSSA-N -1 3 366.400 3.054 20 0 FGADHM C[C@H](NC(=O)N[C@H]1CCc2ccc(F)cc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820358898 599436772 /nfs/dbraw/zinc/43/67/72/599436772.db2.gz QEKOMCMYQRKXRN-GTNSWQLSSA-N -1 3 366.400 3.054 20 0 FGADHM CCOc1cc(CCCNc2ccc(-c3nn[n-]n3)cc2F)ccc1OC ZINC000736624873 599442631 /nfs/dbraw/zinc/44/26/31/599442631.db2.gz IZZATSJLVLAINB-UHFFFAOYSA-N -1 3 371.416 3.458 20 0 FGADHM C[C@@H](NC(=O)NCc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1Cl ZINC000736119680 599453228 /nfs/dbraw/zinc/45/32/28/599453228.db2.gz UAIVWHWGCKSQQU-SNVBAGLBSA-N -1 3 374.807 3.220 20 0 FGADHM C[C@@H](NC(=O)NCc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1Cl ZINC000736119680 599453230 /nfs/dbraw/zinc/45/32/30/599453230.db2.gz UAIVWHWGCKSQQU-SNVBAGLBSA-N -1 3 374.807 3.220 20 0 FGADHM C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)c1sccc1-c1nnn[n-]1 ZINC000736056250 599467774 /nfs/dbraw/zinc/46/77/74/599467774.db2.gz MHYIGFHCVASWSL-SNVBAGLBSA-N -1 3 361.858 3.285 20 0 FGADHM C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)c1sccc1-c1nn[n-]n1 ZINC000736056250 599467776 /nfs/dbraw/zinc/46/77/76/599467776.db2.gz MHYIGFHCVASWSL-SNVBAGLBSA-N -1 3 361.858 3.285 20 0 FGADHM C[C@@H](NC(=O)N(C)[C@H](C)c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820342038 599470391 /nfs/dbraw/zinc/47/03/91/599470391.db2.gz SFBAQZKWIFETTN-ZIAGYGMSSA-N -1 3 350.426 3.330 20 0 FGADHM C[C@@H](NC(=O)N(C)[C@H](C)c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820342038 599470393 /nfs/dbraw/zinc/47/03/93/599470393.db2.gz SFBAQZKWIFETTN-ZIAGYGMSSA-N -1 3 350.426 3.330 20 0 FGADHM CCN(CC)C(=O)c1ccc(CNc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000821175624 599471030 /nfs/dbraw/zinc/47/10/30/599471030.db2.gz QCUHNMWBDQVIQI-UHFFFAOYSA-N -1 3 368.416 3.100 20 0 FGADHM CCN(CC)C(=O)c1ccc(CNc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000821175624 599471031 /nfs/dbraw/zinc/47/10/31/599471031.db2.gz QCUHNMWBDQVIQI-UHFFFAOYSA-N -1 3 368.416 3.100 20 0 FGADHM CCN(CCc1ccccc1)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821215982 599471471 /nfs/dbraw/zinc/47/14/71/599471471.db2.gz YKOLQDKJGVDPDO-HNNXBMFYSA-N -1 3 364.453 3.202 20 0 FGADHM CCN(CCc1ccccc1)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821215982 599471473 /nfs/dbraw/zinc/47/14/73/599471473.db2.gz YKOLQDKJGVDPDO-HNNXBMFYSA-N -1 3 364.453 3.202 20 0 FGADHM CC(C)[C@H]1CCC[C@H](NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000820359360 599474041 /nfs/dbraw/zinc/47/40/41/599474041.db2.gz SICWNKXJJAQSKU-ZQIUZPCESA-N -1 3 356.474 3.442 20 0 FGADHM CC(C)[C@H]1CCC[C@H](NC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000820359360 599474044 /nfs/dbraw/zinc/47/40/44/599474044.db2.gz SICWNKXJJAQSKU-ZQIUZPCESA-N -1 3 356.474 3.442 20 0 FGADHM O=C(CCCNc1ccc(F)cc1-c1nnn[n-]1)Nc1ccc(Cl)cc1 ZINC000822958883 599487520 /nfs/dbraw/zinc/48/75/20/599487520.db2.gz LJMAUWPBPQJUFF-UHFFFAOYSA-N -1 3 374.807 3.490 20 0 FGADHM O=C(CCCNc1ccc(F)cc1-c1nn[n-]n1)Nc1ccc(Cl)cc1 ZINC000822958883 599487523 /nfs/dbraw/zinc/48/75/23/599487523.db2.gz LJMAUWPBPQJUFF-UHFFFAOYSA-N -1 3 374.807 3.490 20 0 FGADHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(N3CCOc4ccccc4C3)c2c1 ZINC000822195241 599487968 /nfs/dbraw/zinc/48/79/68/599487968.db2.gz LHXQCKPHUJEHKV-UHFFFAOYSA-N -1 3 372.432 3.431 20 0 FGADHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(N3CCOc4ccccc4C3)c2c1 ZINC000822195241 599487971 /nfs/dbraw/zinc/48/79/71/599487971.db2.gz LHXQCKPHUJEHKV-UHFFFAOYSA-N -1 3 372.432 3.431 20 0 FGADHM Cc1nccn1-c1ccc(CNc2c(Cl)cccc2-c2nnn[n-]2)cn1 ZINC000822478065 599489132 /nfs/dbraw/zinc/48/91/32/599489132.db2.gz PQMIGLYSQSKGMH-UHFFFAOYSA-N -1 3 366.816 3.021 20 0 FGADHM Cc1nccn1-c1ccc(CNc2c(Cl)cccc2-c2nn[n-]n2)cn1 ZINC000822478065 599489135 /nfs/dbraw/zinc/48/91/35/599489135.db2.gz PQMIGLYSQSKGMH-UHFFFAOYSA-N -1 3 366.816 3.021 20 0 FGADHM CCOC1CCN(c2c(-c3nnn[n-]3)cnc3c(C)cc(C)cc32)CC1 ZINC000821369156 599489708 /nfs/dbraw/zinc/48/97/08/599489708.db2.gz XKVOJFMNBMEUDN-UHFFFAOYSA-N -1 3 352.442 3.037 20 0 FGADHM CCOC1CCN(c2c(-c3nn[n-]n3)cnc3c(C)cc(C)cc32)CC1 ZINC000821369156 599489710 /nfs/dbraw/zinc/48/97/10/599489710.db2.gz XKVOJFMNBMEUDN-UHFFFAOYSA-N -1 3 352.442 3.037 20 0 FGADHM CCOc1ccccc1CNc1c(-c2nnn[n-]2)cnc2c(C)cccc21 ZINC000821431269 599490041 /nfs/dbraw/zinc/49/00/41/599490041.db2.gz OCFUYLAWEABSTA-UHFFFAOYSA-N -1 3 360.421 3.156 20 0 FGADHM CCOc1ccccc1CNc1c(-c2nn[n-]n2)cnc2c(C)cccc21 ZINC000821431269 599490042 /nfs/dbraw/zinc/49/00/42/599490042.db2.gz OCFUYLAWEABSTA-UHFFFAOYSA-N -1 3 360.421 3.156 20 0 FGADHM COCCOc1ccccc1CNc1c(Cl)cccc1-c1nnn[n-]1 ZINC000821693958 599490591 /nfs/dbraw/zinc/49/05/91/599490591.db2.gz WNNIPHHKDMOVGW-UHFFFAOYSA-N -1 3 359.817 3.157 20 0 FGADHM COCCOc1ccccc1CNc1c(Cl)cccc1-c1nn[n-]n1 ZINC000821693958 599490594 /nfs/dbraw/zinc/49/05/94/599490594.db2.gz WNNIPHHKDMOVGW-UHFFFAOYSA-N -1 3 359.817 3.157 20 0 FGADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N[C@@H]1CCc2cc(F)ccc21 ZINC000822337209 599493667 /nfs/dbraw/zinc/49/36/67/599493667.db2.gz VIPFRYQPUHFKAN-QGZVFWFLSA-N -1 3 360.396 3.384 20 0 FGADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N[C@@H]1CCc2cc(F)ccc21 ZINC000822337209 599493669 /nfs/dbraw/zinc/49/36/69/599493669.db2.gz VIPFRYQPUHFKAN-QGZVFWFLSA-N -1 3 360.396 3.384 20 0 FGADHM C[C@H](Nc1ccc(F)cc1-c1nnn[n-]1)c1ccc(N2CCCC2=O)cc1 ZINC000820455298 599496776 /nfs/dbraw/zinc/49/67/76/599496776.db2.gz GKIKZFDLLQRKJQ-LBPRGKRZSA-N -1 3 366.400 3.306 20 0 FGADHM C[C@H](Nc1ccc(F)cc1-c1nn[n-]n1)c1ccc(N2CCCC2=O)cc1 ZINC000820455298 599496777 /nfs/dbraw/zinc/49/67/77/599496777.db2.gz GKIKZFDLLQRKJQ-LBPRGKRZSA-N -1 3 366.400 3.306 20 0 FGADHM C[C@H](NC(=O)c1csc(-c2ccoc2)n1)c1cccc(-c2nnn[n-]2)c1 ZINC000820403950 599500075 /nfs/dbraw/zinc/50/00/75/599500075.db2.gz NJUCXPBGCDLRJO-JTQLQIEISA-N -1 3 366.406 3.074 20 0 FGADHM C[C@H](NC(=O)c1csc(-c2ccoc2)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000820403950 599500076 /nfs/dbraw/zinc/50/00/76/599500076.db2.gz NJUCXPBGCDLRJO-JTQLQIEISA-N -1 3 366.406 3.074 20 0 FGADHM Cc1cc(F)cc2[nH]c(C(=O)N[C@H](C)c3cccc(-c4nnn[n-]4)c3)cc21 ZINC000822203040 599503222 /nfs/dbraw/zinc/50/32/22/599503222.db2.gz BASBZIUXEVGOQR-LLVKDONJSA-N -1 3 364.384 3.287 20 0 FGADHM Cc1cc(F)cc2[nH]c(C(=O)N[C@H](C)c3cccc(-c4nn[n-]n4)c3)cc21 ZINC000822203040 599503225 /nfs/dbraw/zinc/50/32/25/599503225.db2.gz BASBZIUXEVGOQR-LLVKDONJSA-N -1 3 364.384 3.287 20 0 FGADHM C[C@@H](NC(=O)C[C@@H]1CCOc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820323836 599505982 /nfs/dbraw/zinc/50/59/82/599505982.db2.gz ZKVUISRCQITKKW-HIFRSBDPSA-N -1 3 363.421 3.000 20 0 FGADHM C[C@@H](NC(=O)C[C@@H]1CCOc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820323836 599505984 /nfs/dbraw/zinc/50/59/84/599505984.db2.gz ZKVUISRCQITKKW-HIFRSBDPSA-N -1 3 363.421 3.000 20 0 FGADHM CC(C)Oc1ccc(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000820154896 599506394 /nfs/dbraw/zinc/50/63/94/599506394.db2.gz BYYMUJLTIWXTEC-CYBMUJFWSA-N -1 3 351.410 3.145 20 0 FGADHM CC(C)Oc1ccc(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000820154896 599506397 /nfs/dbraw/zinc/50/63/97/599506397.db2.gz BYYMUJLTIWXTEC-CYBMUJFWSA-N -1 3 351.410 3.145 20 0 FGADHM C[C@H](NC(=O)c1c[nH]c2cc(Cl)ccc12)c1cccc(-c2nnn[n-]2)c1 ZINC000820384677 599506879 /nfs/dbraw/zinc/50/68/79/599506879.db2.gz KPHLYOKPSYCXFM-JTQLQIEISA-N -1 3 366.812 3.492 20 0 FGADHM C[C@H](NC(=O)c1c[nH]c2cc(Cl)ccc12)c1cccc(-c2nn[n-]n2)c1 ZINC000820384677 599506880 /nfs/dbraw/zinc/50/68/80/599506880.db2.gz KPHLYOKPSYCXFM-JTQLQIEISA-N -1 3 366.812 3.492 20 0 FGADHM c1ccc2c(c1)ncc(-c1nnn[n-]1)c2N1CCC(OC2CCCC2)CC1 ZINC000823792555 599510119 /nfs/dbraw/zinc/51/01/19/599510119.db2.gz XPRMUAWAPRXXPJ-UHFFFAOYSA-N -1 3 364.453 3.343 20 0 FGADHM c1ccc2c(c1)ncc(-c1nn[n-]n1)c2N1CCC(OC2CCCC2)CC1 ZINC000823792555 599510121 /nfs/dbraw/zinc/51/01/21/599510121.db2.gz XPRMUAWAPRXXPJ-UHFFFAOYSA-N -1 3 364.453 3.343 20 0 FGADHM Cc1ccc2cccc(C(=O)N[C@H](C)c3cccc(-c4nnn[n-]4)c3)c2n1 ZINC000822280567 599510580 /nfs/dbraw/zinc/51/05/80/599510580.db2.gz RZHFFUNUPZVMDI-CYBMUJFWSA-N -1 3 358.405 3.214 20 0 FGADHM Cc1ccc2cccc(C(=O)N[C@H](C)c3cccc(-c4nn[n-]n4)c3)c2n1 ZINC000822280567 599510581 /nfs/dbraw/zinc/51/05/81/599510581.db2.gz RZHFFUNUPZVMDI-CYBMUJFWSA-N -1 3 358.405 3.214 20 0 FGADHM Cc1cc(C)cc(OCCC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000822197922 599513270 /nfs/dbraw/zinc/51/32/70/599513270.db2.gz VESUZFAEQFMVFC-HNNXBMFYSA-N -1 3 365.437 3.130 20 0 FGADHM Cc1cc(C)cc(OCCC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000822197922 599513272 /nfs/dbraw/zinc/51/32/72/599513272.db2.gz VESUZFAEQFMVFC-HNNXBMFYSA-N -1 3 365.437 3.130 20 0 FGADHM CCSc1ccccc1C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821461184 599514931 /nfs/dbraw/zinc/51/49/31/599514931.db2.gz LLDUUWYWOSZZPK-LBPRGKRZSA-N -1 3 353.451 3.470 20 0 FGADHM CCSc1ccccc1C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821461184 599514932 /nfs/dbraw/zinc/51/49/32/599514932.db2.gz LLDUUWYWOSZZPK-LBPRGKRZSA-N -1 3 353.451 3.470 20 0 FGADHM C[C@H](NC(=O)CCCOCc1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820320995 599515644 /nfs/dbraw/zinc/51/56/44/599515644.db2.gz AQKKVHGXNNRTRP-HNNXBMFYSA-N -1 3 365.437 3.041 20 0 FGADHM C[C@H](NC(=O)CCCOCc1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820320995 599515647 /nfs/dbraw/zinc/51/56/47/599515647.db2.gz AQKKVHGXNNRTRP-HNNXBMFYSA-N -1 3 365.437 3.041 20 0 FGADHM C[C@@H](NC(=O)c1sccc1-n1cccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820403713 599519111 /nfs/dbraw/zinc/51/91/11/599519111.db2.gz LQNXLBDNICNDEE-GFCCVEGCSA-N -1 3 364.434 3.210 20 0 FGADHM C[C@@H](NC(=O)c1sccc1-n1cccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820403713 599519115 /nfs/dbraw/zinc/51/91/15/599519115.db2.gz LQNXLBDNICNDEE-GFCCVEGCSA-N -1 3 364.434 3.210 20 0 FGADHM Cc1ccc2c(CC(=O)N[C@H](C)c3cccc(-c4nnn[n-]4)c3)c[nH]c2c1 ZINC000822274964 599519993 /nfs/dbraw/zinc/51/99/93/599519993.db2.gz MIWXKRAWUZTDRX-CYBMUJFWSA-N -1 3 360.421 3.076 20 0 FGADHM Cc1ccc2c(CC(=O)N[C@H](C)c3cccc(-c4nn[n-]n4)c3)c[nH]c2c1 ZINC000822274964 599519996 /nfs/dbraw/zinc/51/99/96/599519996.db2.gz MIWXKRAWUZTDRX-CYBMUJFWSA-N -1 3 360.421 3.076 20 0 FGADHM Cc1nccc(Nc2ccc(OCc3cccc(-c4nnn[n-]4)c3)cc2)n1 ZINC000822471418 599524837 /nfs/dbraw/zinc/52/48/37/599524837.db2.gz BFTPIXVAUJNNGP-UHFFFAOYSA-N -1 3 359.393 3.288 20 0 FGADHM Cc1nccc(Nc2ccc(OCc3cccc(-c4nn[n-]n4)c3)cc2)n1 ZINC000822471418 599524838 /nfs/dbraw/zinc/52/48/38/599524838.db2.gz BFTPIXVAUJNNGP-UHFFFAOYSA-N -1 3 359.393 3.288 20 0 FGADHM C[C@@H]1c2c(F)cccc2CCN1C(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000736305658 599536604 /nfs/dbraw/zinc/53/66/04/599536604.db2.gz YMFAHDLMVJIINC-LLVKDONJSA-N -1 3 368.441 3.322 20 0 FGADHM C[C@@H]1c2c(F)cccc2CCN1C(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000736305658 599536607 /nfs/dbraw/zinc/53/66/07/599536607.db2.gz YMFAHDLMVJIINC-LLVKDONJSA-N -1 3 368.441 3.322 20 0 FGADHM Cc1ccc(C[C@H](C)N(C)C(=S)Nc2ccccc2-c2nnn[n-]2)cc1 ZINC000737334860 599536823 /nfs/dbraw/zinc/53/68/23/599536823.db2.gz NKRXMTQVWQWAQN-AWEZNQCLSA-N -1 3 366.494 3.435 20 0 FGADHM Cc1ccc(C[C@H](C)N(C)C(=S)Nc2ccccc2-c2nn[n-]n2)cc1 ZINC000737334860 599536825 /nfs/dbraw/zinc/53/68/25/599536825.db2.gz NKRXMTQVWQWAQN-AWEZNQCLSA-N -1 3 366.494 3.435 20 0 FGADHM Cc1cc(C)n([C@@H]2CCCN(c3c(Cl)cccc3-c3nnn[n-]3)C2)n1 ZINC000822197649 599539483 /nfs/dbraw/zinc/53/94/83/599539483.db2.gz JPQSMASQAAODQB-CYBMUJFWSA-N -1 3 357.849 3.175 20 0 FGADHM Cc1cc(C)n([C@@H]2CCCN(c3c(Cl)cccc3-c3nn[n-]n3)C2)n1 ZINC000822197649 599539485 /nfs/dbraw/zinc/53/94/85/599539485.db2.gz JPQSMASQAAODQB-CYBMUJFWSA-N -1 3 357.849 3.175 20 0 FGADHM CC[C@H]1CN(c2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)C[C@H](C)O1 ZINC000820994340 599549338 /nfs/dbraw/zinc/54/93/38/599549338.db2.gz GWASFEZHMHJBCV-JQWIXIFHSA-N -1 3 358.833 3.072 20 0 FGADHM CC[C@H]1CN(c2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)C[C@H](C)O1 ZINC000820994340 599549340 /nfs/dbraw/zinc/54/93/40/599549340.db2.gz GWASFEZHMHJBCV-JQWIXIFHSA-N -1 3 358.833 3.072 20 0 FGADHM CC(C)Oc1ccc([C@H](O)CNc2c(Cl)cccc2-c2nnn[n-]2)cc1 ZINC000820155236 599561425 /nfs/dbraw/zinc/56/14/25/599561425.db2.gz LPCQDDIDSADJJS-MRXNPFEDSA-N -1 3 373.844 3.453 20 0 FGADHM CC(C)Oc1ccc([C@H](O)CNc2c(Cl)cccc2-c2nn[n-]n2)cc1 ZINC000820155236 599561429 /nfs/dbraw/zinc/56/14/29/599561429.db2.gz LPCQDDIDSADJJS-MRXNPFEDSA-N -1 3 373.844 3.453 20 0 FGADHM C[C@@H]1CCCN(C(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)C1 ZINC000736264768 599562088 /nfs/dbraw/zinc/56/20/88/599562088.db2.gz GEMWVGHGNSSKSU-CQSZACIVSA-N -1 3 362.437 3.482 20 0 FGADHM O[C@@H](CNc1ccc(F)cc1-c1nnn[n-]1)c1c(Cl)cccc1Cl ZINC000823690997 599572050 /nfs/dbraw/zinc/57/20/50/599572050.db2.gz ZOSWEJHLOOPQLJ-ZDUSSCGKSA-N -1 3 368.199 3.458 20 0 FGADHM O[C@@H](CNc1ccc(F)cc1-c1nn[n-]n1)c1c(Cl)cccc1Cl ZINC000823690997 599572053 /nfs/dbraw/zinc/57/20/53/599572053.db2.gz ZOSWEJHLOOPQLJ-ZDUSSCGKSA-N -1 3 368.199 3.458 20 0 FGADHM COc1ccccc1[C@]1(C)C[C@H]1Nc1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821883557 599583176 /nfs/dbraw/zinc/58/31/76/599583176.db2.gz XOFFEESLJOPPBL-QAPCUYQASA-N -1 3 357.364 3.296 20 0 FGADHM COc1ccccc1[C@]1(C)C[C@H]1Nc1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821883557 599583178 /nfs/dbraw/zinc/58/31/78/599583178.db2.gz XOFFEESLJOPPBL-QAPCUYQASA-N -1 3 357.364 3.296 20 0 FGADHM CS[C@H]1CCCCN(c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)C1 ZINC000821956342 607385735 /nfs/dbraw/zinc/38/57/35/607385735.db2.gz MNDMUPXCUZRPQA-VIFPVBQESA-N -1 3 358.393 3.002 20 0 FGADHM CS[C@H]1CCCCN(c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)C1 ZINC000821956342 607385737 /nfs/dbraw/zinc/38/57/37/607385737.db2.gz MNDMUPXCUZRPQA-VIFPVBQESA-N -1 3 358.393 3.002 20 0 FGADHM O=C(OCc1ccccn1)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738233055 599608011 /nfs/dbraw/zinc/60/80/11/599608011.db2.gz CSQMOMGIOHIFOS-UHFFFAOYSA-N -1 3 372.388 3.362 20 0 FGADHM CC[C@@H](C)[C@@H]1CCCCN1C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC000736328873 599609833 /nfs/dbraw/zinc/60/98/33/599609833.db2.gz ILIRJFSCHYLMRR-DOMZBBRYSA-N -1 3 358.446 3.308 20 0 FGADHM CC[C@@H](C)[C@@H]1CCCCN1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC000736328873 599609835 /nfs/dbraw/zinc/60/98/35/599609835.db2.gz ILIRJFSCHYLMRR-DOMZBBRYSA-N -1 3 358.446 3.308 20 0 FGADHM Cc1ccc([C@H](C)CNC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000737319995 599612006 /nfs/dbraw/zinc/61/20/06/599612006.db2.gz IKNCTODJGNEMEQ-GFCCVEGCSA-N -1 3 354.389 3.239 20 0 FGADHM Cc1ccc([C@H](C)CNC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000737319995 599612008 /nfs/dbraw/zinc/61/20/08/599612008.db2.gz IKNCTODJGNEMEQ-GFCCVEGCSA-N -1 3 354.389 3.239 20 0 FGADHM CC(C)CO[C@@H]1C[C@H](OC(=O)C=Cc2ccccc2-c2nnn[n-]2)C1(C)C ZINC000735839192 599619095 /nfs/dbraw/zinc/61/90/95/599619095.db2.gz MIWLRZMJBBAPAA-ZUQFGZKASA-N -1 3 370.453 3.263 20 0 FGADHM CC(C)CO[C@@H]1C[C@H](OC(=O)C=Cc2ccccc2-c2nn[n-]n2)C1(C)C ZINC000735839192 599619098 /nfs/dbraw/zinc/61/90/98/599619098.db2.gz MIWLRZMJBBAPAA-ZUQFGZKASA-N -1 3 370.453 3.263 20 0 FGADHM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000820937667 599623078 /nfs/dbraw/zinc/62/30/78/599623078.db2.gz BRHNRAFOIZVKLC-XKQJLSEDSA-N -1 3 358.442 3.284 20 0 FGADHM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000820937667 599623079 /nfs/dbraw/zinc/62/30/79/599623079.db2.gz BRHNRAFOIZVKLC-XKQJLSEDSA-N -1 3 358.442 3.284 20 0 FGADHM CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)N(C)c1cccc(-c2nnn[n-]2)c1 ZINC000820939116 599627965 /nfs/dbraw/zinc/62/79/65/599627965.db2.gz QTJSEVNJXCTTOJ-COXVUDFISA-N -1 3 357.458 3.203 20 0 FGADHM CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)N(C)c1cccc(-c2nn[n-]n2)c1 ZINC000820939116 599627966 /nfs/dbraw/zinc/62/79/66/599627966.db2.gz QTJSEVNJXCTTOJ-COXVUDFISA-N -1 3 357.458 3.203 20 0 FGADHM C[C@@H]1CC[C@@H](CCC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)O1 ZINC000820690660 599628449 /nfs/dbraw/zinc/62/84/49/599628449.db2.gz PRZCWSGFKGRGKD-MNOVXSKESA-N -1 3 361.471 3.093 20 0 FGADHM C[C@@H]1CC[C@@H](CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)O1 ZINC000820690660 599628450 /nfs/dbraw/zinc/62/84/50/599628450.db2.gz PRZCWSGFKGRGKD-MNOVXSKESA-N -1 3 361.471 3.093 20 0 FGADHM C[C@@H](C(=O)Nc1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1)C(F)(F)F ZINC000819877013 599628488 /nfs/dbraw/zinc/62/84/88/599628488.db2.gz MZVOABUOCPWIOP-ZETCQYMHSA-N -1 3 368.344 3.127 20 0 FGADHM Cc1c(Br)cccc1C(=O)Nc1sccc1-c1nnn[n-]1 ZINC000822015936 599629572 /nfs/dbraw/zinc/62/95/72/599629572.db2.gz QWZXGKKTWCTFPA-UHFFFAOYSA-N -1 3 364.228 3.251 20 0 FGADHM Cc1c(Br)cccc1C(=O)Nc1sccc1-c1nn[n-]n1 ZINC000822015936 599629573 /nfs/dbraw/zinc/62/95/73/599629573.db2.gz QWZXGKKTWCTFPA-UHFFFAOYSA-N -1 3 364.228 3.251 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccc(F)c(F)c1 ZINC000823303677 599634392 /nfs/dbraw/zinc/63/43/92/599634392.db2.gz QQIBIWSOUDDXOG-UHFFFAOYSA-N -1 3 369.253 3.416 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccc(F)c(F)c1 ZINC000823303677 599634393 /nfs/dbraw/zinc/63/43/93/599634393.db2.gz QQIBIWSOUDDXOG-UHFFFAOYSA-N -1 3 369.253 3.416 20 0 FGADHM C[C@@H]1CN(Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)Cc2ccccc21 ZINC000820759779 599635510 /nfs/dbraw/zinc/63/55/10/599635510.db2.gz NQOBSAFOCRXIME-CYBMUJFWSA-N -1 3 373.420 3.036 20 0 FGADHM C[C@@H]1CN(Cc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)Cc2ccccc21 ZINC000820759779 599635511 /nfs/dbraw/zinc/63/55/11/599635511.db2.gz NQOBSAFOCRXIME-CYBMUJFWSA-N -1 3 373.420 3.036 20 0 FGADHM CCN(Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)c1ccc(C)cc1 ZINC000821230356 599636596 /nfs/dbraw/zinc/63/65/96/599636596.db2.gz HZCDMXFXNXPZJS-UHFFFAOYSA-N -1 3 361.409 3.252 20 0 FGADHM CCN(Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)c1ccc(C)cc1 ZINC000821230356 599636597 /nfs/dbraw/zinc/63/65/97/599636597.db2.gz HZCDMXFXNXPZJS-UHFFFAOYSA-N -1 3 361.409 3.252 20 0 FGADHM Cc1ccc2c(CCC(=O)N(C)c3cccc(-c4nnn[n-]4)c3)c[nH]c2c1 ZINC000822274730 599649050 /nfs/dbraw/zinc/64/90/50/599649050.db2.gz HHCPWCXJFMCLQP-UHFFFAOYSA-N -1 3 360.421 3.252 20 0 FGADHM Cc1ccc2c(CCC(=O)N(C)c3cccc(-c4nn[n-]n4)c3)c[nH]c2c1 ZINC000822274730 599649051 /nfs/dbraw/zinc/64/90/51/599649051.db2.gz HHCPWCXJFMCLQP-UHFFFAOYSA-N -1 3 360.421 3.252 20 0 FGADHM Cc1cccc(NC(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)c1Cl ZINC000822323310 599656455 /nfs/dbraw/zinc/65/64/55/599656455.db2.gz FBDLZOYYUQMACR-LLVKDONJSA-N -1 3 357.801 3.235 20 0 FGADHM CC[C@@H]1C[C@@H](C)CN1C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820967230 599664041 /nfs/dbraw/zinc/66/40/41/599664041.db2.gz MCGMFHJZUVAZQZ-MWLCHTKSSA-N -1 3 350.879 3.337 20 0 FGADHM CC[C@@H]1C[C@@H](C)CN1C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820967230 599664042 /nfs/dbraw/zinc/66/40/42/599664042.db2.gz MCGMFHJZUVAZQZ-MWLCHTKSSA-N -1 3 350.879 3.337 20 0 FGADHM O=C(OCCOc1ccccc1-c1nnn[n-]1)[C@@H]1C[C@H]1C1CCCCC1 ZINC000823409912 599665596 /nfs/dbraw/zinc/66/55/96/599665596.db2.gz NQQAUFNUVYWOKK-JKSUJKDBSA-N -1 3 356.426 3.005 20 0 FGADHM O=C(OCCOc1ccccc1-c1nn[n-]n1)[C@@H]1C[C@H]1C1CCCCC1 ZINC000823409912 599665597 /nfs/dbraw/zinc/66/55/97/599665597.db2.gz NQQAUFNUVYWOKK-JKSUJKDBSA-N -1 3 356.426 3.005 20 0 FGADHM O=C(OCc1cc(-c2nnn[n-]2)ccc1F)[C@H]1CCSc2ccccc21 ZINC000823413892 599667767 /nfs/dbraw/zinc/66/77/67/599667767.db2.gz OXWYRFZCSYWKOI-AWEZNQCLSA-N -1 3 370.409 3.329 20 0 FGADHM O=C(OCc1cc(-c2nn[n-]n2)ccc1F)[C@H]1CCSc2ccccc21 ZINC000823413892 599667768 /nfs/dbraw/zinc/66/77/68/599667768.db2.gz OXWYRFZCSYWKOI-AWEZNQCLSA-N -1 3 370.409 3.329 20 0 FGADHM C[C@@H](CCc1ccccc1F)C(=O)OCc1ccc(-c2nnn[n-]2)cc1F ZINC000820254896 599669786 /nfs/dbraw/zinc/66/97/86/599669786.db2.gz ZGOMQQXFJRSCHO-LBPRGKRZSA-N -1 3 372.375 3.457 20 0 FGADHM C[C@@H](CCc1ccccc1F)C(=O)OCc1ccc(-c2nn[n-]n2)cc1F ZINC000820254896 599669787 /nfs/dbraw/zinc/66/97/87/599669787.db2.gz ZGOMQQXFJRSCHO-LBPRGKRZSA-N -1 3 372.375 3.457 20 0 FGADHM C[C@@H](NC(=O)NC1(c2ccc(F)cc2)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820357127 599673598 /nfs/dbraw/zinc/67/35/98/599673598.db2.gz FACACJDPUWZXBM-GFCCVEGCSA-N -1 3 366.400 3.055 20 0 FGADHM C[C@@H](NC(=O)NC1(c2ccc(F)cc2)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820357127 599673599 /nfs/dbraw/zinc/67/35/99/599673599.db2.gz FACACJDPUWZXBM-GFCCVEGCSA-N -1 3 366.400 3.055 20 0 FGADHM Cc1ccc(-c2nc(CNc3nc4c(cc3-c3nnn[n-]3)CCC4)co2)cc1 ZINC000822214145 599688632 /nfs/dbraw/zinc/68/86/32/599688632.db2.gz RBCWGHQDYKJJBO-UHFFFAOYSA-N -1 3 373.420 3.326 20 0 FGADHM Cc1ccc(-c2nc(CNc3nc4c(cc3-c3nn[n-]n3)CCC4)co2)cc1 ZINC000822214145 599688633 /nfs/dbraw/zinc/68/86/33/599688633.db2.gz RBCWGHQDYKJJBO-UHFFFAOYSA-N -1 3 373.420 3.326 20 0 FGADHM O=C(Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1)[C@H]1CCCCO1 ZINC000823350338 607394254 /nfs/dbraw/zinc/39/42/54/607394254.db2.gz JRERHZUALGSUGY-QGZVFWFLSA-N -1 3 365.393 3.167 20 0 FGADHM O=C(Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)[C@H]1CCCCO1 ZINC000823350338 607394256 /nfs/dbraw/zinc/39/42/56/607394256.db2.gz JRERHZUALGSUGY-QGZVFWFLSA-N -1 3 365.393 3.167 20 0 FGADHM O=C(Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)[C@H]1CCCCO1 ZINC000823367329 607394610 /nfs/dbraw/zinc/39/46/10/607394610.db2.gz JKBJPAFXSXOMDM-QGZVFWFLSA-N -1 3 365.393 3.167 20 0 FGADHM O=C(Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)[C@H]1CCCCO1 ZINC000823367329 607394611 /nfs/dbraw/zinc/39/46/11/607394611.db2.gz JKBJPAFXSXOMDM-QGZVFWFLSA-N -1 3 365.393 3.167 20 0 FGADHM CC(C)Oc1ccc(NC(=O)[C@@H](C)Oc2ccccc2)cc1-c1nnn[n-]1 ZINC000820160102 607399502 /nfs/dbraw/zinc/39/95/02/607399502.db2.gz HCFHSYJFGJELRQ-CYBMUJFWSA-N -1 3 367.409 3.060 20 0 FGADHM CC(C)Oc1ccc(NC(=O)[C@@H](C)Oc2ccccc2)cc1-c1nn[n-]n1 ZINC000820160102 607399504 /nfs/dbraw/zinc/39/95/04/607399504.db2.gz HCFHSYJFGJELRQ-CYBMUJFWSA-N -1 3 367.409 3.060 20 0 FGADHM CC(C)Oc1ccc(NC(=O)C=C(C2CC2)C2CC2)cc1-c1nnn[n-]1 ZINC000820159842 607399678 /nfs/dbraw/zinc/39/96/78/607399678.db2.gz AKMLFBICJUUNOP-UHFFFAOYSA-N -1 3 353.426 3.339 20 0 FGADHM CC(C)Oc1ccc(NC(=O)C=C(C2CC2)C2CC2)cc1-c1nn[n-]n1 ZINC000820159842 607399680 /nfs/dbraw/zinc/39/96/80/607399680.db2.gz AKMLFBICJUUNOP-UHFFFAOYSA-N -1 3 353.426 3.339 20 0 FGADHM CC(C)Oc1ccc(NC(=O)c2csc(C3CC3)n2)cc1-c1nnn[n-]1 ZINC000820173933 607406775 /nfs/dbraw/zinc/40/67/75/607406775.db2.gz NOCKLTAFFWPULV-UHFFFAOYSA-N -1 3 370.438 3.240 20 0 FGADHM CC(C)Oc1ccc(NC(=O)c2csc(C3CC3)n2)cc1-c1nn[n-]n1 ZINC000820173933 607406777 /nfs/dbraw/zinc/40/67/77/607406777.db2.gz NOCKLTAFFWPULV-UHFFFAOYSA-N -1 3 370.438 3.240 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)C/C=C/c1ccc(F)cc1 ZINC000826253237 607408251 /nfs/dbraw/zinc/40/82/51/607408251.db2.gz JEQKIOFJYNGWNX-NSCUHMNNSA-N -1 3 352.369 3.461 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)C/C=C/c1ccc(F)cc1 ZINC000826253237 607408253 /nfs/dbraw/zinc/40/82/53/607408253.db2.gz JEQKIOFJYNGWNX-NSCUHMNNSA-N -1 3 352.369 3.461 20 0 FGADHM Cc1sc(NC(=O)CN(C[C@@H](C)O)C2CCCCC2)c(C(=O)[O-])c1C ZINC000738992685 599963682 /nfs/dbraw/zinc/96/36/82/599963682.db2.gz BEBSSATZFYJUFX-LLVKDONJSA-N -1 3 368.499 3.017 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)C=Cc1ccc2ccccc2n1 ZINC000826253049 607410871 /nfs/dbraw/zinc/41/08/71/607410871.db2.gz DLHYXBBVNULYGG-KHPPLWFESA-N -1 3 371.400 3.480 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)C=Cc1ccc2ccccc2n1 ZINC000826253049 607410872 /nfs/dbraw/zinc/41/08/72/607410872.db2.gz DLHYXBBVNULYGG-KHPPLWFESA-N -1 3 371.400 3.480 20 0 FGADHM Cc1cscc1NC(=O)[C@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC000826320693 607414900 /nfs/dbraw/zinc/41/49/00/607414900.db2.gz AEDVQZWFXCYLMA-OAHLLOKOSA-N -1 3 357.439 3.279 20 0 FGADHM Cc1cscc1NC(=O)[C@H](Oc1ccccc1-c1nn[n-]n1)C(C)C ZINC000826320693 607414902 /nfs/dbraw/zinc/41/49/02/607414902.db2.gz AEDVQZWFXCYLMA-OAHLLOKOSA-N -1 3 357.439 3.279 20 0 FGADHM O=C(C=Cc1ccc(Cl)s1)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826401180 607419853 /nfs/dbraw/zinc/41/98/53/607419853.db2.gz RPBZGCXWRAWTBN-ALCCZGGFSA-N -1 3 371.853 3.400 20 0 FGADHM O=C(C=Cc1ccc(Cl)s1)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826401180 607419854 /nfs/dbraw/zinc/41/98/54/607419854.db2.gz RPBZGCXWRAWTBN-ALCCZGGFSA-N -1 3 371.853 3.400 20 0 FGADHM O=C(NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1cccc(C(F)F)c1 ZINC000826428037 607419996 /nfs/dbraw/zinc/41/99/96/607419996.db2.gz MFUBVQPMZUGQHR-UHFFFAOYSA-N -1 3 355.348 3.223 20 0 FGADHM O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1cccc(C(F)F)c1 ZINC000826428037 607419998 /nfs/dbraw/zinc/41/99/98/607419998.db2.gz MFUBVQPMZUGQHR-UHFFFAOYSA-N -1 3 355.348 3.223 20 0 FGADHM O=C(CC/C=C\c1ccccc1)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826405551 607424932 /nfs/dbraw/zinc/42/49/32/607424932.db2.gz JZFHYYRCOXTLAN-WTKPLQERSA-N -1 3 359.433 3.466 20 0 FGADHM O=C(CC/C=C\c1ccccc1)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826405551 607424933 /nfs/dbraw/zinc/42/49/33/607424933.db2.gz JZFHYYRCOXTLAN-WTKPLQERSA-N -1 3 359.433 3.466 20 0 FGADHM Cc1cc(C)cc(CCC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)c1 ZINC000826264746 607426160 /nfs/dbraw/zinc/42/61/60/607426160.db2.gz YYSORUNHDISZJI-UHFFFAOYSA-N -1 3 361.449 3.222 20 0 FGADHM Cc1cc(C)cc(CCC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)c1 ZINC000826264746 607426162 /nfs/dbraw/zinc/42/61/62/607426162.db2.gz YYSORUNHDISZJI-UHFFFAOYSA-N -1 3 361.449 3.222 20 0 FGADHM CC(C)Oc1ccc(NC(=O)N(C)[C@H](C)c2ccco2)cc1-c1nnn[n-]1 ZINC000820164806 607427083 /nfs/dbraw/zinc/42/70/83/607427083.db2.gz LUYCIIIIXDHOKU-GFCCVEGCSA-N -1 3 370.413 3.472 20 0 FGADHM CC(C)Oc1ccc(NC(=O)N(C)[C@H](C)c2ccco2)cc1-c1nn[n-]n1 ZINC000820164806 607427084 /nfs/dbraw/zinc/42/70/84/607427084.db2.gz LUYCIIIIXDHOKU-GFCCVEGCSA-N -1 3 370.413 3.472 20 0 FGADHM CN(C)C[C@@H](NC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1)c1ccccc1 ZINC000737360976 600289839 /nfs/dbraw/zinc/28/98/39/600289839.db2.gz QIPYYSUDZGFYLH-MRXNPFEDSA-N -1 3 361.829 3.463 20 0 FGADHM Cc1c(C(=O)[O-])sc2nc(C)nc(N3C[C@@H]4CCCCN4C[C@@H]3C)c12 ZINC000738361016 600314643 /nfs/dbraw/zinc/31/46/43/600314643.db2.gz ARUDRLOMCVENCF-GWCFXTLKSA-N -1 3 360.483 3.069 20 0 FGADHM Cc1ccc(SCC(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)c(C)c1 ZINC000826292957 607440791 /nfs/dbraw/zinc/44/07/91/607440791.db2.gz UWYFQODPFLCNKY-UHFFFAOYSA-N -1 3 353.451 3.239 20 0 FGADHM Cc1ccc(SCC(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)c(C)c1 ZINC000826292957 607440792 /nfs/dbraw/zinc/44/07/92/607440792.db2.gz UWYFQODPFLCNKY-UHFFFAOYSA-N -1 3 353.451 3.239 20 0 FGADHM Cc1ccc([C@H]2[C@@H](C)CCCN2CC(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC000652422257 600440769 /nfs/dbraw/zinc/44/07/69/600440769.db2.gz VQRAZOUZEBKHFV-OXJNMPFZSA-N -1 3 358.482 3.091 20 0 FGADHM CCCCn1ncc(C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1C ZINC000821082743 607444677 /nfs/dbraw/zinc/44/46/77/607444677.db2.gz NCDXRDSJJATQRT-ZDUSSCGKSA-N -1 3 354.414 3.090 20 0 FGADHM CCCCn1ncc(C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1C ZINC000821082743 607444678 /nfs/dbraw/zinc/44/46/78/607444678.db2.gz NCDXRDSJJATQRT-ZDUSSCGKSA-N -1 3 354.414 3.090 20 0 FGADHM CCCN(CC(=O)Nc1cc(C(=O)[O-])ccc1C)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000737007352 600717041 /nfs/dbraw/zinc/71/70/41/600717041.db2.gz FAJNNAHLHIBECL-LZQZEXGQSA-N -1 3 374.481 3.157 20 0 FGADHM O=C(Nc1ncc2cc(-c3nnn[n-]3)ccc2n1)c1ccc2ccccc2c1 ZINC000826460658 607468488 /nfs/dbraw/zinc/46/84/88/607468488.db2.gz MDVWJIJLNYDHEH-UHFFFAOYSA-N -1 3 367.372 3.215 20 0 FGADHM O=C(Nc1ncc2cc(-c3nn[n-]n3)ccc2n1)c1ccc2ccccc2c1 ZINC000826460658 607468489 /nfs/dbraw/zinc/46/84/89/607468489.db2.gz MDVWJIJLNYDHEH-UHFFFAOYSA-N -1 3 367.372 3.215 20 0 FGADHM CN(Cc1nc(-c2ccccc2)c[nH]1)Cc1ccc(F)cc1-c1nnn[n-]1 ZINC000825992098 607471177 /nfs/dbraw/zinc/47/11/77/607471177.db2.gz OUILICQFHZLKFJ-UHFFFAOYSA-N -1 3 363.400 3.028 20 0 FGADHM CN(Cc1nc(-c2ccccc2)c[nH]1)Cc1ccc(F)cc1-c1nn[n-]n1 ZINC000825992098 607471178 /nfs/dbraw/zinc/47/11/78/607471178.db2.gz OUILICQFHZLKFJ-UHFFFAOYSA-N -1 3 363.400 3.028 20 0 FGADHM C[C@H]1CC[C@H](C)N1CC(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000828214366 600931859 /nfs/dbraw/zinc/93/18/59/600931859.db2.gz LNYCRXFEUBQTJD-KBPBESRZSA-N -1 3 350.484 3.206 20 0 FGADHM c1coc(CN(Cc2cccs2)Cc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000826526180 607481521 /nfs/dbraw/zinc/48/15/21/607481521.db2.gz OFGFRQNDVYNZAQ-UHFFFAOYSA-N -1 3 352.423 3.119 20 0 FGADHM C[C@@H](NCc1ccc(-c2nnn[n-]2)cc1F)c1nc2c(s1)CCCC2 ZINC000820427551 607482006 /nfs/dbraw/zinc/48/20/06/607482006.db2.gz SQZRBRWOCFOMKD-SNVBAGLBSA-N -1 3 358.446 3.192 20 0 FGADHM C[C@@H](NCc1ccc(-c2nn[n-]n2)cc1F)c1nc2c(s1)CCCC2 ZINC000820427551 607482007 /nfs/dbraw/zinc/48/20/07/607482007.db2.gz SQZRBRWOCFOMKD-SNVBAGLBSA-N -1 3 358.446 3.192 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1CNCc1ccccc1OC1CCC1 ZINC000822744355 607483027 /nfs/dbraw/zinc/48/30/27/607483027.db2.gz QSILCXNWSMKNDQ-UHFFFAOYSA-N -1 3 353.401 3.227 20 0 FGADHM C[C@@H](NCc1ccc(-c2nnn[n-]2)cc1F)c1nc(C2CCCCC2)no1 ZINC000820426223 607484466 /nfs/dbraw/zinc/48/44/66/607484466.db2.gz GZFOFBIUQBYHNS-LLVKDONJSA-N -1 3 371.420 3.287 20 0 FGADHM C[C@@H](NCc1ccc(-c2nn[n-]n2)cc1F)c1nc(C2CCCCC2)no1 ZINC000820426223 607484468 /nfs/dbraw/zinc/48/44/68/607484468.db2.gz GZFOFBIUQBYHNS-LLVKDONJSA-N -1 3 371.420 3.287 20 0 FGADHM Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000832961539 601149124 /nfs/dbraw/zinc/14/91/24/601149124.db2.gz DXYACXVHUJKECQ-YEWFCNIMSA-N -1 3 356.466 3.020 20 0 FGADHM C[C@H](c1ccc(C(=O)[O-])o1)N1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000827929150 601183699 /nfs/dbraw/zinc/18/36/99/601183699.db2.gz WEGWSCFSIZRIHX-CABCVRRESA-N -1 3 356.422 3.181 20 0 FGADHM C[C@H](CSCc1ccccc1)C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000820291955 607497910 /nfs/dbraw/zinc/49/79/10/607497910.db2.gz AZJQZKYUMFOXRR-CQSZACIVSA-N -1 3 367.478 3.052 20 0 FGADHM C[C@H](CSCc1ccccc1)C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000820291955 607497913 /nfs/dbraw/zinc/49/79/13/607497913.db2.gz AZJQZKYUMFOXRR-CQSZACIVSA-N -1 3 367.478 3.052 20 0 FGADHM CCN(C(=O)c1ccnc(C(=O)[O-])c1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000829601852 601279966 /nfs/dbraw/zinc/27/99/66/601279966.db2.gz BEMUCZYJODJKKG-YJBOKZPZSA-N -1 3 367.449 3.077 20 0 FGADHM O=C([O-])[C@H](c1ccc(Cl)cc1Cl)N1CCC(c2nc[nH]n2)CC1 ZINC000833172335 601330519 /nfs/dbraw/zinc/33/05/19/601330519.db2.gz SPFZABXGQPUDMT-ZDUSSCGKSA-N -1 3 355.225 3.117 20 0 FGADHM CN1CCC(N(Cc2ccccc2)C(=O)c2ccc(C(=O)[O-])cc2)CC1 ZINC000820620775 601331617 /nfs/dbraw/zinc/33/16/17/601331617.db2.gz STZRPNNQUAOXBO-UHFFFAOYSA-N -1 3 352.434 3.121 20 0 FGADHM CCc1oc(C(=O)[O-])cc1CN1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000830368904 601424175 /nfs/dbraw/zinc/42/41/75/601424175.db2.gz DZQSPRGHYFVAKM-HNNXBMFYSA-N -1 3 370.449 3.182 20 0 FGADHM C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000263153836 601500632 /nfs/dbraw/zinc/50/06/32/601500632.db2.gz FPBKJPNJRHBZCX-RVKKMQEKSA-N -1 3 352.434 3.333 20 0 FGADHM CN(C)C(=O)Sc1ccc(CN2Cc3ccccc3C[C@H]2C(=O)[O-])cc1 ZINC000830564097 601527800 /nfs/dbraw/zinc/52/78/00/601527800.db2.gz WENQDRKYSUIGMF-SFHVURJKSA-N -1 3 370.474 3.472 20 0 FGADHM COc1ccc(NC(=O)[C@H](c2ccccc2)N2C[C@H](C(=O)[O-])[C@H](C)C2)cc1 ZINC000832394539 601534520 /nfs/dbraw/zinc/53/45/20/601534520.db2.gz SILHXCKVPUBGBL-CCKFTAQKSA-N -1 3 368.433 3.028 20 0 FGADHM O=C([O-])[C@]1(F)CCN(CCC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000833099478 601556334 /nfs/dbraw/zinc/55/63/34/601556334.db2.gz BJKQGPKMVUJZQX-FQEVSTJZSA-N -1 3 356.397 3.181 20 0 FGADHM C[C@@H](c1nc2ccccc2s1)N(C)Cc1ccnc(-c2nnn[n-]2)c1 ZINC000824778476 607516881 /nfs/dbraw/zinc/51/68/81/607516881.db2.gz PRVVDZGIDYIAET-NSHDSACASA-N -1 3 351.439 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O=C([O-])N1CC[C@@H](NCc2cc(Cl)ccc2OCc2cccnc2)C1 ZINC000740504918 602878125 /nfs/dbraw/zinc/87/81/25/602878125.db2.gz FMPOQYUBSRPXMR-MRXNPFEDSA-N -1 3 361.829 3.156 20 0 FGADHM COc1ccc(COC(=O)CCc2ccccc2Cl)cc1-c1nnn[n-]1 ZINC000826205217 607595570 /nfs/dbraw/zinc/59/55/70/607595570.db2.gz OPJBSRNFSPUREW-UHFFFAOYSA-N -1 3 372.812 3.205 20 0 FGADHM COc1ccc(COC(=O)CCc2ccccc2Cl)cc1-c1nn[n-]n1 ZINC000826205217 607595573 /nfs/dbraw/zinc/59/55/73/607595573.db2.gz OPJBSRNFSPUREW-UHFFFAOYSA-N -1 3 372.812 3.205 20 0 FGADHM COc1ccc(COC(=O)[C@@H]2CCCc3ccccc32)cc1-c1nnn[n-]1 ZINC000826205481 607600756 /nfs/dbraw/zinc/60/07/56/607600756.db2.gz XVJOATJHRBAKJC-MRXNPFEDSA-N -1 3 364.405 3.039 20 0 FGADHM COc1ccc(COC(=O)[C@@H]2CCCc3ccccc32)cc1-c1nn[n-]n1 ZINC000826205481 607600757 /nfs/dbraw/zinc/60/07/57/607600757.db2.gz XVJOATJHRBAKJC-MRXNPFEDSA-N -1 3 364.405 3.039 20 0 FGADHM COc1ccc(COC(=O)[C@H]2CCCc3ccccc32)cc1-c1nnn[n-]1 ZINC000826205480 607601171 /nfs/dbraw/zinc/60/11/71/607601171.db2.gz XVJOATJHRBAKJC-INIZCTEOSA-N -1 3 364.405 3.039 20 0 FGADHM COc1ccc(COC(=O)[C@H]2CCCc3ccccc32)cc1-c1nn[n-]n1 ZINC000826205480 607601172 /nfs/dbraw/zinc/60/11/72/607601172.db2.gz XVJOATJHRBAKJC-INIZCTEOSA-N -1 3 364.405 3.039 20 0 FGADHM COc1ccc(COC(=O)c2cccc(Cl)c2F)cc1-c1nnn[n-]1 ZINC000826206063 607613808 /nfs/dbraw/zinc/61/38/08/607613808.db2.gz AUPSIRVVDBBRDR-UHFFFAOYSA-N -1 3 362.748 3.025 20 0 FGADHM COc1ccc(COC(=O)c2cccc(Cl)c2F)cc1-c1nn[n-]n1 ZINC000826206063 607613809 /nfs/dbraw/zinc/61/38/09/607613809.db2.gz AUPSIRVVDBBRDR-UHFFFAOYSA-N -1 3 362.748 3.025 20 0 FGADHM COc1ccc(CNC(=O)Nc2ccc(C(C)C)cc2)cc1-c1nnn[n-]1 ZINC000826200626 607615600 /nfs/dbraw/zinc/61/56/00/607615600.db2.gz ZKVQMZNWSFQDHS-UHFFFAOYSA-N -1 3 366.425 3.320 20 0 FGADHM COc1ccc(CNC(=O)Nc2ccc(C(C)C)cc2)cc1-c1nn[n-]n1 ZINC000826200626 607615602 /nfs/dbraw/zinc/61/56/02/607615602.db2.gz ZKVQMZNWSFQDHS-UHFFFAOYSA-N -1 3 366.425 3.320 20 0 FGADHM COc1ccc(CNC(=O)Nc2cc(C)ccc2Cl)cc1-c1nnn[n-]1 ZINC000826200188 607620227 /nfs/dbraw/zinc/62/02/27/607620227.db2.gz CCWCOMAURNYABT-UHFFFAOYSA-N -1 3 372.816 3.159 20 0 FGADHM COc1ccc(CNC(=O)Nc2cc(C)ccc2Cl)cc1-c1nn[n-]n1 ZINC000826200188 607620229 /nfs/dbraw/zinc/62/02/29/607620229.db2.gz CCWCOMAURNYABT-UHFFFAOYSA-N -1 3 372.816 3.159 20 0 FGADHM O=C([O-])NC[C@H]1CCCCN1CCc1nc(-c2cccc(Cl)c2)no1 ZINC000740626758 603409721 /nfs/dbraw/zinc/40/97/21/603409721.db2.gz ZUAGXNFOZBODIU-CQSZACIVSA-N -1 3 364.833 3.055 20 0 FGADHM Cc1ccc([C@H](CNC(=O)c2ccc(C)c(NC(=O)[O-])c2)N(C)C)cc1 ZINC000830262371 603421358 /nfs/dbraw/zinc/42/13/58/603421358.db2.gz OWDHUNPJEKJKOV-SFHVURJKSA-N -1 3 355.438 3.426 20 0 FGADHM c1sc(Nc2ccc3c(c2)OCO3)nc1-c1cccc(-c2nnn[n-]2)c1 ZINC000826512824 607645073 /nfs/dbraw/zinc/64/50/73/607645073.db2.gz PKAHYNACJUHKIT-UHFFFAOYSA-N -1 3 364.390 3.463 20 0 FGADHM c1sc(Nc2ccc3c(c2)OCO3)nc1-c1cccc(-c2nn[n-]n2)c1 ZINC000826512824 607645075 /nfs/dbraw/zinc/64/50/75/607645075.db2.gz PKAHYNACJUHKIT-UHFFFAOYSA-N -1 3 364.390 3.463 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000826246431 607655208 /nfs/dbraw/zinc/65/52/08/607655208.db2.gz CZVJBEHFHXKBBR-NWDGAFQWSA-N -1 3 353.348 3.026 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000826246431 607655211 /nfs/dbraw/zinc/65/52/11/607655211.db2.gz CZVJBEHFHXKBBR-NWDGAFQWSA-N -1 3 353.348 3.026 20 0 FGADHM O=C([O-])N1CCc2cccc(CNCc3ccccc3Cn3cccn3)c21 ZINC000832087289 603848175 /nfs/dbraw/zinc/84/81/75/603848175.db2.gz PRYWDEBPTSUWQU-UHFFFAOYSA-N -1 3 362.433 3.262 20 0 FGADHM O=C(CSc1nccn1-c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000826421471 607658584 /nfs/dbraw/zinc/65/85/84/607658584.db2.gz JMRDXBBJLADJBJ-UHFFFAOYSA-N -1 3 362.418 3.027 20 0 FGADHM O=C(CSc1nccn1-c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000826421471 607658586 /nfs/dbraw/zinc/65/85/86/607658586.db2.gz JMRDXBBJLADJBJ-UHFFFAOYSA-N -1 3 362.418 3.027 20 0 FGADHM Cc1ccc(C(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)cc1NC(=O)[O-] ZINC000830205819 603967363 /nfs/dbraw/zinc/96/73/63/603967363.db2.gz TXBRHXLMGBSSSP-CRAIPNDOSA-N -1 3 367.449 3.478 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(C)C1C2CC3CC(C2)CC1C3 ZINC000826243794 607663175 /nfs/dbraw/zinc/66/31/75/607663175.db2.gz WBKAXYNKKPAHFK-UHFFFAOYSA-N -1 3 351.454 3.072 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(C)C1C2CC3CC(C2)CC1C3 ZINC000826243794 607663176 /nfs/dbraw/zinc/66/31/76/607663176.db2.gz WBKAXYNKKPAHFK-UHFFFAOYSA-N -1 3 351.454 3.072 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NCCOc1cccc2ccccc21 ZINC000826248693 607666621 /nfs/dbraw/zinc/66/66/21/607666621.db2.gz SWVKTAVZYBEWPY-UHFFFAOYSA-N -1 3 373.416 3.137 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NCCOc1cccc2ccccc21 ZINC000826248693 607666623 /nfs/dbraw/zinc/66/66/23/607666623.db2.gz SWVKTAVZYBEWPY-UHFFFAOYSA-N -1 3 373.416 3.137 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1cc(Cl)c(N)c(Cl)c1 ZINC000826249573 607668599 /nfs/dbraw/zinc/66/85/99/607668599.db2.gz JLONOIFLGNXFQI-UHFFFAOYSA-N -1 3 363.208 3.316 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1cc(Cl)c(N)c(Cl)c1 ZINC000826249573 607668600 /nfs/dbraw/zinc/66/86/00/607668600.db2.gz JLONOIFLGNXFQI-UHFFFAOYSA-N -1 3 363.208 3.316 20 0 FGADHM Cc1ccc2c(CN3CCC[C@@H]([C@H](C)NC(=O)[O-])C3)cc(=O)oc2c1C ZINC000830440218 604202362 /nfs/dbraw/zinc/20/23/62/604202362.db2.gz VOGHEFMEGWUWBX-LSDHHAIUSA-N -1 3 358.438 3.278 20 0 FGADHM CCOC(=O)CCC1CCN(c2ccc(Cl)cc2-c2nnn[n-]2)CC1 ZINC000825506529 607679580 /nfs/dbraw/zinc/67/95/80/607679580.db2.gz LHLXAJLFXSPOSS-UHFFFAOYSA-N -1 3 363.849 3.080 20 0 FGADHM CCOC(=O)CCC1CCN(c2ccc(Cl)cc2-c2nn[n-]n2)CC1 ZINC000825506529 607679582 /nfs/dbraw/zinc/67/95/82/607679582.db2.gz LHLXAJLFXSPOSS-UHFFFAOYSA-N -1 3 363.849 3.080 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1cccc(Br)c1C ZINC000826250588 607680715 /nfs/dbraw/zinc/68/07/15/607680715.db2.gz INRDCPWPJLZYFM-UHFFFAOYSA-N -1 3 372.226 3.498 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1cccc(Br)c1C ZINC000826250588 607680717 /nfs/dbraw/zinc/68/07/17/607680717.db2.gz INRDCPWPJLZYFM-UHFFFAOYSA-N -1 3 372.226 3.498 20 0 FGADHM FC(F)(F)c1cc(N2CCC[C@H]([C@H]3CCOC3)C2)ccc1-c1nnn[n-]1 ZINC000826368343 607682158 /nfs/dbraw/zinc/68/21/58/607682158.db2.gz MBMLRGAZBIEYJN-RYUDHWBXSA-N -1 3 367.375 3.138 20 0 FGADHM FC(F)(F)c1cc(N2CCC[C@H]([C@H]3CCOC3)C2)ccc1-c1nn[n-]n1 ZINC000826368343 607682159 /nfs/dbraw/zinc/68/21/59/607682159.db2.gz MBMLRGAZBIEYJN-RYUDHWBXSA-N -1 3 367.375 3.138 20 0 FGADHM C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000828462221 604284448 /nfs/dbraw/zinc/28/44/48/604284448.db2.gz ILYPJNSAUOHNDM-HNNXBMFYSA-N -1 3 370.424 3.261 20 0 FGADHM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000832922280 604298575 /nfs/dbraw/zinc/29/85/75/604298575.db2.gz GCESNEFBNRBKPP-QGZVFWFLSA-N -1 3 369.465 3.205 20 0 FGADHM CC(C)c1ccccc1OCCC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000824352569 607692753 /nfs/dbraw/zinc/69/27/53/607692753.db2.gz IZMDFQCYJKVQDV-UHFFFAOYSA-N -1 3 365.437 3.075 20 0 FGADHM CC(C)c1ccccc1OCCC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000824352569 607692754 /nfs/dbraw/zinc/69/27/54/607692754.db2.gz IZMDFQCYJKVQDV-UHFFFAOYSA-N -1 3 365.437 3.075 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000826243907 607693642 /nfs/dbraw/zinc/69/36/42/607693642.db2.gz ABNVVLVBQWTHBE-OAHLLOKOSA-N -1 3 365.412 3.019 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000826243907 607693643 /nfs/dbraw/zinc/69/36/43/607693643.db2.gz ABNVVLVBQWTHBE-OAHLLOKOSA-N -1 3 365.412 3.019 20 0 FGADHM C[C@@H](c1ccc(F)cc1)N(C)C(=O)CNC1(C(=O)[O-])CCCCCC1 ZINC000833549457 604481162 /nfs/dbraw/zinc/48/11/62/604481162.db2.gz YOHPYLIZXCCWAJ-AWEZNQCLSA-N -1 3 350.434 3.112 20 0 FGADHM CCO[C@H]1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)cc2C)C12CCCCC2 ZINC000825582994 607695267 /nfs/dbraw/zinc/69/52/67/607695267.db2.gz PYJAJKXCSMDRAK-SJORKVTESA-N -1 3 369.469 3.033 20 0 FGADHM CCO[C@H]1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)cc2C)C12CCCCC2 ZINC000825582994 607695268 /nfs/dbraw/zinc/69/52/68/607695268.db2.gz PYJAJKXCSMDRAK-SJORKVTESA-N -1 3 369.469 3.033 20 0 FGADHM CN(C)CCN(CCc1ccccc1)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000830604217 604500035 /nfs/dbraw/zinc/50/00/35/604500035.db2.gz IWWNRSUJJPDHTM-UHFFFAOYSA-N -1 3 361.467 3.085 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CC[C@@H](Cc2ccccc2)[C@H]1C ZINC000826243969 607700057 /nfs/dbraw/zinc/70/00/57/607700057.db2.gz CAKSQKPZCVJYEB-WBVHZDCISA-N -1 3 361.449 3.268 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CC[C@@H](Cc2ccccc2)[C@H]1C ZINC000826243969 607700059 /nfs/dbraw/zinc/70/00/59/607700059.db2.gz CAKSQKPZCVJYEB-WBVHZDCISA-N -1 3 361.449 3.268 20 0 FGADHM COc1ccc([C@@H]2CCCN2Cc2c(C)nn(CCC(=O)[O-])c2C)cc1 ZINC000833733006 604516087 /nfs/dbraw/zinc/51/60/87/604516087.db2.gz ZFNLDTLHDBJBOL-IBGZPJMESA-N -1 3 357.454 3.320 20 0 FGADHM CC(C)(C)c1ccc([C@H]2CCCN2C(=O)c2ccc(-c3nnn[n-]3)[nH]2)cc1 ZINC000824136610 607700503 /nfs/dbraw/zinc/70/05/03/607700503.db2.gz REDRISIOCSTCLG-QGZVFWFLSA-N -1 3 364.453 3.470 20 0 FGADHM CC(C)(C)c1ccc([C@H]2CCCN2C(=O)c2ccc(-c3nn[n-]n3)[nH]2)cc1 ZINC000824136610 607700505 /nfs/dbraw/zinc/70/05/05/607700505.db2.gz REDRISIOCSTCLG-QGZVFWFLSA-N -1 3 364.453 3.470 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1cccc(Oc2cccnn2)c1 ZINC000826250705 607696527 /nfs/dbraw/zinc/69/65/27/607696527.db2.gz OELPVMCAOZDNBW-UHFFFAOYSA-N -1 3 373.376 3.010 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1cccc(Oc2cccnn2)c1 ZINC000826250705 607696528 /nfs/dbraw/zinc/69/65/28/607696528.db2.gz OELPVMCAOZDNBW-UHFFFAOYSA-N -1 3 373.376 3.010 20 0 FGADHM CC[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)cc1C)Oc1ccccc1C ZINC000825122449 607701153 /nfs/dbraw/zinc/70/11/53/607701153.db2.gz ZWFLJZCBCKONAN-INIZCTEOSA-N -1 3 365.437 3.071 20 0 FGADHM CC[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)cc1C)Oc1ccccc1C ZINC000825122449 607701155 /nfs/dbraw/zinc/70/11/55/607701155.db2.gz ZWFLJZCBCKONAN-INIZCTEOSA-N -1 3 365.437 3.071 20 0 FGADHM CN(Cc1ccccc1)c1ccccc1NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000825980986 607707129 /nfs/dbraw/zinc/70/71/29/607707129.db2.gz NJUNOLLJUJIBRC-UHFFFAOYSA-N -1 3 373.420 3.084 20 0 FGADHM CN(Cc1ccccc1)c1ccccc1NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000825980986 607707131 /nfs/dbraw/zinc/70/71/31/607707131.db2.gz NJUNOLLJUJIBRC-UHFFFAOYSA-N -1 3 373.420 3.084 20 0 FGADHM O=C([O-])[C@H](O)C1CCN(Cc2cccc(OCc3ccc(F)cc3)c2)CC1 ZINC000833771049 604763314 /nfs/dbraw/zinc/76/33/14/604763314.db2.gz UKKBAUHNPMOWPU-HXUWFJFHSA-N -1 3 373.424 3.062 20 0 FGADHM O=C([O-])CCCN(Cc1ccccc1)Cn1nccc1-c1cccnc1 ZINC000833226735 604765436 /nfs/dbraw/zinc/76/54/36/604765436.db2.gz BFCBCEPQESYNNR-UHFFFAOYSA-N -1 3 350.422 3.270 20 0 FGADHM COc1cc(N[C@H]2CCCN(Cc3cc(C(=O)[O-])oc3C)C2)cc(OC)c1 ZINC000832026927 604801682 /nfs/dbraw/zinc/80/16/82/604801682.db2.gz RXEMKAXUNCDXIL-HNNXBMFYSA-N -1 3 374.437 3.380 20 0 FGADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1c(Cl)cccc1Cl ZINC000824420650 607720050 /nfs/dbraw/zinc/72/00/50/607720050.db2.gz NCLUMHQHTPWPPE-QMMMGPOBSA-N -1 3 365.224 3.035 20 0 FGADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1c(Cl)cccc1Cl ZINC000824420650 607720052 /nfs/dbraw/zinc/72/00/52/607720052.db2.gz NCLUMHQHTPWPPE-QMMMGPOBSA-N -1 3 365.224 3.035 20 0 FGADHM Cc1cccc(-c2cccc(CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)c2)c1 ZINC000826295541 607721213 /nfs/dbraw/zinc/72/12/13/607721213.db2.gz MAFWCSWQLXBLTD-UHFFFAOYSA-N -1 3 358.405 3.100 20 0 FGADHM Cc1cccc(-c2cccc(CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)c2)c1 ZINC000826295541 607721215 /nfs/dbraw/zinc/72/12/15/607721215.db2.gz MAFWCSWQLXBLTD-UHFFFAOYSA-N -1 3 358.405 3.100 20 0 FGADHM O=C([O-])C[C@@H]1CCCN1Cn1nc2c3c1cccc3C(=O)c1ccccc1-2 ZINC000833212065 604976646 /nfs/dbraw/zinc/97/66/46/604976646.db2.gz SDHHLVBSNKZQKZ-ZDUSSCGKSA-N -1 3 361.401 3.144 20 0 FGADHM Cc1nc(-c2ccc(Cl)c(Cl)c2)n(CN2CCC[C@@H]2CC(=O)[O-])n1 ZINC000832991431 604982353 /nfs/dbraw/zinc/98/23/53/604982353.db2.gz SZDNCEOKNBZPRD-GFCCVEGCSA-N -1 3 369.252 3.457 20 0 FGADHM CCc1nc(NC(=O)[C@@H]2CCCN(Cc3ccccc3)C2)sc1C(=O)[O-] ZINC000833676783 604994236 /nfs/dbraw/zinc/99/42/36/604994236.db2.gz WSSPWUMCNNAEOB-CQSZACIVSA-N -1 3 373.478 3.254 20 0 FGADHM O=C(c1ccc(-c2nnn[n-]2)[nH]1)N(Cc1ccccc1F)C1CCCCC1 ZINC000826471435 607727592 /nfs/dbraw/zinc/72/75/92/607727592.db2.gz ZFPIIROPIAEMSQ-UHFFFAOYSA-N -1 3 368.416 3.309 20 0 FGADHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N(Cc1ccccc1F)C1CCCCC1 ZINC000826471435 607727594 /nfs/dbraw/zinc/72/75/94/607727594.db2.gz ZFPIIROPIAEMSQ-UHFFFAOYSA-N -1 3 368.416 3.309 20 0 FGADHM COc1cc(C)cc(CNc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)c1 ZINC000826178461 607732118 /nfs/dbraw/zinc/73/21/18/607732118.db2.gz YYKXCWDNLBDWHM-UHFFFAOYSA-N -1 3 364.331 3.210 20 0 FGADHM COc1cc(C)cc(CNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)c1 ZINC000826178461 607732121 /nfs/dbraw/zinc/73/21/21/607732121.db2.gz YYKXCWDNLBDWHM-UHFFFAOYSA-N -1 3 364.331 3.210 20 0 FGADHM CCc1oc(C(=O)[O-])cc1CN1C[C@@H](CNC(=O)OC(C)(C)C)C[C@@H]1C ZINC000833677959 605089248 /nfs/dbraw/zinc/08/92/48/605089248.db2.gz GQJZALMAJVVWNH-QWHCGFSZSA-N -1 3 366.458 3.275 20 0 FGADHM Cc1nn(C)c2ncc(CN[C@@H](C(=O)[O-])c3ccc4ccccc4c3)cc12 ZINC000833756185 605272811 /nfs/dbraw/zinc/27/28/11/605272811.db2.gz CXYAOKRCVKWLRM-LJQANCHMSA-N -1 3 360.417 3.345 20 0 FGADHM CCSc1ccc(CC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825674016 607745842 /nfs/dbraw/zinc/74/58/42/607745842.db2.gz DXRQZKRUYUOEAS-CYBMUJFWSA-N -1 3 367.478 3.399 20 0 FGADHM CCSc1ccc(CC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825674016 607745843 /nfs/dbraw/zinc/74/58/43/607745843.db2.gz DXRQZKRUYUOEAS-CYBMUJFWSA-N -1 3 367.478 3.399 20 0 FGADHM O=C(c1ccc(-c2nnn[n-]2)[nH]1)N1CCCCC[C@@H]1/C=C/c1ccccc1 ZINC000826471885 607749997 /nfs/dbraw/zinc/74/99/97/607749997.db2.gz PSKSSASLCBSYET-SIFUEBAJSA-N -1 3 362.437 3.293 20 0 FGADHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1CCCCC[C@@H]1/C=C/c1ccccc1 ZINC000826471885 607749998 /nfs/dbraw/zinc/74/99/98/607749998.db2.gz PSKSSASLCBSYET-SIFUEBAJSA-N -1 3 362.437 3.293 20 0 FGADHM CC(C)OC(=O)N1CCC(N[C@@H](C(=O)[O-])c2c(F)cccc2Cl)CC1 ZINC000833503026 605357550 /nfs/dbraw/zinc/35/75/50/605357550.db2.gz UUTHGILFMLJCPX-OAHLLOKOSA-N -1 3 372.824 3.204 20 0 FGADHM CC(C)[C@H](N[C@H](C)C[C@H]1CCCN1C(=O)[O-])c1nc(-c2cccnc2)no1 ZINC000824769047 605497285 /nfs/dbraw/zinc/49/72/85/605497285.db2.gz RSIVVAHZRRKJNA-BMFZPTHFSA-N -1 3 373.457 3.339 20 0 FGADHM CCOC(=O)Nc1ccc(NC(=O)[C@H](C)C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825523588 607760661 /nfs/dbraw/zinc/76/06/61/607760661.db2.gz QWHMYSFGHTWCOG-JTQLQIEISA-N -1 3 360.418 3.056 20 0 FGADHM CCOC(=O)Nc1ccc(NC(=O)[C@H](C)C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825523588 607760662 /nfs/dbraw/zinc/76/06/62/607760662.db2.gz QWHMYSFGHTWCOG-JTQLQIEISA-N -1 3 360.418 3.056 20 0 FGADHM CCOC(=O)Nc1ccc(NC(=O)C2(CC)CCCC2)cc1-c1nnn[n-]1 ZINC000825531977 607761072 /nfs/dbraw/zinc/76/10/72/607761072.db2.gz NSNLFGRSEAXHDO-UHFFFAOYSA-N -1 3 372.429 3.344 20 0 FGADHM CCOC(=O)Nc1ccc(NC(=O)C2(CC)CCCC2)cc1-c1nn[n-]n1 ZINC000825531977 607761073 /nfs/dbraw/zinc/76/10/73/607761073.db2.gz NSNLFGRSEAXHDO-UHFFFAOYSA-N -1 3 372.429 3.344 20 0 FGADHM CC(C)C[C@@H](C)NC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000824228831 607763172 /nfs/dbraw/zinc/76/31/72/607763172.db2.gz MILVRGOGRVTUQL-CYBMUJFWSA-N -1 3 369.425 3.203 20 0 FGADHM CCCSCC(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000825341550 607769444 /nfs/dbraw/zinc/76/94/44/607769444.db2.gz FBJDVJGPJCMVFH-UHFFFAOYSA-N -1 3 360.468 3.072 20 0 FGADHM CCCSCC(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000825341550 607769445 /nfs/dbraw/zinc/76/94/45/607769445.db2.gz FBJDVJGPJCMVFH-UHFFFAOYSA-N -1 3 360.468 3.072 20 0 FGADHM O=C(c1ccc(-c2nnn[n-]2)[nH]1)N1CCCC[C@@H]1CCCc1ccccc1 ZINC000826471502 607771800 /nfs/dbraw/zinc/77/18/00/607771800.db2.gz BOJFTGLXZAGABH-MRXNPFEDSA-N -1 3 364.453 3.212 20 0 FGADHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1CCCC[C@@H]1CCCc1ccccc1 ZINC000826471502 607771801 /nfs/dbraw/zinc/77/18/01/607771801.db2.gz BOJFTGLXZAGABH-MRXNPFEDSA-N -1 3 364.453 3.212 20 0 FGADHM O=C([O-])N1CCc2cccc(CNC[C@H](O)c3ccc(Cl)c(F)c3)c21 ZINC000834119095 605744308 /nfs/dbraw/zinc/74/43/08/605744308.db2.gz ANQXIDNYMUQCAM-INIZCTEOSA-N -1 3 364.804 3.343 20 0 FGADHM O=C([O-])N1CCc2cccc(CNC[C@@H](O)c3ccc(Cl)c(F)c3)c21 ZINC000834119096 605744538 /nfs/dbraw/zinc/74/45/38/605744538.db2.gz ANQXIDNYMUQCAM-MRXNPFEDSA-N -1 3 364.804 3.343 20 0 FGADHM O=C([O-])N1CCC2(CCN(C[C@@H](O)c3ccccc3C(F)(F)F)C2)CC1 ZINC000834095189 605897833 /nfs/dbraw/zinc/89/78/33/605897833.db2.gz YMGLLMUGBGXUNW-OAHLLOKOSA-N -1 3 372.387 3.205 20 0 FGADHM Cc1nc(-c2ccccc2)oc1C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822419068 606027109 /nfs/dbraw/zinc/02/71/09/606027109.db2.gz LSVWSDQXHSQAPB-GFCCVEGCSA-N -1 3 374.404 3.321 20 0 FGADHM Cc1nc(-c2ccccc2)oc1C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822419068 606027114 /nfs/dbraw/zinc/02/71/14/606027114.db2.gz LSVWSDQXHSQAPB-GFCCVEGCSA-N -1 3 374.404 3.321 20 0 FGADHM CCCOc1ccc([C@@H](C)Nc2ccc(-c3nnn[n-]3)nc2)cc1OC ZINC000821133642 606046392 /nfs/dbraw/zinc/04/63/92/606046392.db2.gz CFORBZPRPRIGDY-GFCCVEGCSA-N -1 3 354.414 3.232 20 0 FGADHM CCCOc1ccc([C@@H](C)Nc2ccc(-c3nn[n-]n3)nc2)cc1OC ZINC000821133642 606046397 /nfs/dbraw/zinc/04/63/97/606046397.db2.gz CFORBZPRPRIGDY-GFCCVEGCSA-N -1 3 354.414 3.232 20 0 FGADHM CC(C)c1ccc(OC2CCN(c3ccc(-c4nnn[n-]4)nc3)CC2)cc1 ZINC000820192743 606049404 /nfs/dbraw/zinc/04/94/04/606049404.db2.gz XRJLEAIEJPICHT-UHFFFAOYSA-N -1 3 364.453 3.433 20 0 FGADHM CC(C)c1ccc(OC2CCN(c3ccc(-c4nn[n-]n4)nc3)CC2)cc1 ZINC000820192743 606049409 /nfs/dbraw/zinc/04/94/09/606049409.db2.gz XRJLEAIEJPICHT-UHFFFAOYSA-N -1 3 364.453 3.433 20 0 FGADHM O=C([O-])Nc1ccccc1CC(=O)N(CCN1CCCC1)c1ccccc1 ZINC000834271140 606064538 /nfs/dbraw/zinc/06/45/38/606064538.db2.gz PTHVGKQPWAVHCS-UHFFFAOYSA-N -1 3 367.449 3.448 20 0 FGADHM Cc1ccc(Cl)cc1N1CC[C@H](CNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC000822239782 606067210 /nfs/dbraw/zinc/06/72/10/606067210.db2.gz DNBHOJSCMFFTTF-CYBMUJFWSA-N -1 3 369.860 3.162 20 0 FGADHM Cc1ccc(Cl)cc1N1CC[C@H](CNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC000822239782 606067214 /nfs/dbraw/zinc/06/72/14/606067214.db2.gz DNBHOJSCMFFTTF-CYBMUJFWSA-N -1 3 369.860 3.162 20 0 FGADHM COCCSc1ccc([C@@H](C)Nc2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000821694209 606068928 /nfs/dbraw/zinc/06/89/28/606068928.db2.gz CMNMXUWWXTVESQ-GFCCVEGCSA-N -1 3 356.455 3.173 20 0 FGADHM COCCSc1ccc([C@@H](C)Nc2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000821694209 606068934 /nfs/dbraw/zinc/06/89/34/606068934.db2.gz CMNMXUWWXTVESQ-GFCCVEGCSA-N -1 3 356.455 3.173 20 0 FGADHM CC(C)C[C@@H](C)Oc1cc(CNc2ccc(-c3nnn[n-]3)nc2)ccn1 ZINC000820054989 606082257 /nfs/dbraw/zinc/08/22/57/606082257.db2.gz FHQPZGRMOODFMA-CYBMUJFWSA-N -1 3 353.430 3.082 20 0 FGADHM CC(C)C[C@@H](C)Oc1cc(CNc2ccc(-c3nn[n-]n3)nc2)ccn1 ZINC000820054989 606082261 /nfs/dbraw/zinc/08/22/61/606082261.db2.gz FHQPZGRMOODFMA-CYBMUJFWSA-N -1 3 353.430 3.082 20 0 FGADHM COc1ccc([C@H](C)CC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821778029 606117176 /nfs/dbraw/zinc/11/71/76/606117176.db2.gz RXBADSJQMQQXIZ-ZIAGYGMSSA-N -1 3 365.437 3.246 20 0 FGADHM COc1ccc([C@H](C)CC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821778029 606117178 /nfs/dbraw/zinc/11/71/78/606117178.db2.gz RXBADSJQMQQXIZ-ZIAGYGMSSA-N -1 3 365.437 3.246 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)Nc1cc(C2CCCCC2)[nH]n1 ZINC000822929161 606117606 /nfs/dbraw/zinc/11/76/06/606117606.db2.gz QQYVTDZCTARBFS-ZHACJKMWSA-N -1 3 363.425 3.289 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)Nc1cc(C2CCCCC2)[nH]n1 ZINC000822929161 606117607 /nfs/dbraw/zinc/11/76/07/606117607.db2.gz QQYVTDZCTARBFS-ZHACJKMWSA-N -1 3 363.425 3.289 20 0 FGADHM Cc1cc(COC(=O)Cc2cccc(-c3nnn[n-]3)c2)c2ccccc2n1 ZINC000822200941 606141440 /nfs/dbraw/zinc/14/14/40/606141440.db2.gz JVOBKDZIYZZFRX-UHFFFAOYSA-N -1 3 359.389 3.009 20 0 FGADHM Cc1cc(COC(=O)Cc2cccc(-c3nn[n-]n3)c2)c2ccccc2n1 ZINC000822200941 606141442 /nfs/dbraw/zinc/14/14/42/606141442.db2.gz JVOBKDZIYZZFRX-UHFFFAOYSA-N -1 3 359.389 3.009 20 0 FGADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C/C=C\c1ccc(F)cc1 ZINC000821612175 606150811 /nfs/dbraw/zinc/15/08/11/606150811.db2.gz LXTHRUFGYWWCPQ-ARJAWSKDSA-N -1 3 351.385 3.068 20 0 FGADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C/C=C\c1ccc(F)cc1 ZINC000821612175 606150812 /nfs/dbraw/zinc/15/08/12/606150812.db2.gz LXTHRUFGYWWCPQ-ARJAWSKDSA-N -1 3 351.385 3.068 20 0 FGADHM Cc1cnc([C@H](C)NC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)s1 ZINC000822389267 606151182 /nfs/dbraw/zinc/15/11/82/606151182.db2.gz QNJDCTCAQAQFSQ-QMMMGPOBSA-N -1 3 363.834 3.168 20 0 FGADHM Cc1cnc([C@H](C)NC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)s1 ZINC000822389267 606151184 /nfs/dbraw/zinc/15/11/84/606151184.db2.gz QNJDCTCAQAQFSQ-QMMMGPOBSA-N -1 3 363.834 3.168 20 0 FGADHM CCS[C@@H]1CCCC[C@H]1NC(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000821456181 606151670 /nfs/dbraw/zinc/15/16/70/606151670.db2.gz NZGACGXHLDOHEX-UKRRQHHQSA-N -1 3 360.487 3.361 20 0 FGADHM CCS[C@@H]1CCCC[C@H]1NC(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000821456181 606151674 /nfs/dbraw/zinc/15/16/74/606151674.db2.gz NZGACGXHLDOHEX-UKRRQHHQSA-N -1 3 360.487 3.361 20 0 FGADHM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)c1nc2cc(Cl)ccc2[nH]1 ZINC000820512457 606178007 /nfs/dbraw/zinc/17/80/07/606178007.db2.gz KSXNEMAPIMSZEC-ZETCQYMHSA-N -1 3 374.813 3.376 20 0 FGADHM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)c1nc2cc(Cl)ccc2[nH]1 ZINC000820512457 606178008 /nfs/dbraw/zinc/17/80/08/606178008.db2.gz KSXNEMAPIMSZEC-ZETCQYMHSA-N -1 3 374.813 3.376 20 0 FGADHM C[C@@H]1CCc2c(sc(NC(=O)[C@H]3[C@@H]4CCCC[C@@H]43)c2-c2nnn[n-]2)C1 ZINC000820727910 606182547 /nfs/dbraw/zinc/18/25/47/606182547.db2.gz QPQCQRYMZFWAKK-PUHVVEEASA-N -1 3 357.483 3.428 20 0 FGADHM C[C@@H]1CCc2c(sc(NC(=O)[C@H]3[C@@H]4CCCC[C@@H]43)c2-c2nn[n-]n2)C1 ZINC000820727910 606182549 /nfs/dbraw/zinc/18/25/49/606182549.db2.gz QPQCQRYMZFWAKK-PUHVVEEASA-N -1 3 357.483 3.428 20 0 FGADHM C[C@H]1Sc2ccccc2N(C(=O)c2sccc2-c2nnn[n-]2)[C@H]1C ZINC000820822383 606191174 /nfs/dbraw/zinc/19/11/74/606191174.db2.gz YZNOEFODLVFDDZ-VHSXEESVSA-N -1 3 357.464 3.458 20 0 FGADHM C[C@H]1Sc2ccccc2N(C(=O)c2sccc2-c2nn[n-]n2)[C@H]1C ZINC000820822383 606191176 /nfs/dbraw/zinc/19/11/76/606191176.db2.gz YZNOEFODLVFDDZ-VHSXEESVSA-N -1 3 357.464 3.458 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CO[C@@H]1CCCC[C@@H]1C ZINC000821123730 606193099 /nfs/dbraw/zinc/19/30/99/606193099.db2.gz WLMRVIDNMBHKSX-SUMWQHHRSA-N -1 3 372.473 3.222 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N1CCSC2(CCCCC2)C1 ZINC000823308926 606194865 /nfs/dbraw/zinc/19/48/65/606194865.db2.gz MSOYYXABXXIQPO-UHFFFAOYSA-N -1 3 358.471 3.150 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N1CCSC2(CCCCC2)C1 ZINC000823308926 606194866 /nfs/dbraw/zinc/19/48/66/606194866.db2.gz MSOYYXABXXIQPO-UHFFFAOYSA-N -1 3 358.471 3.150 20 0 FGADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Oc1ccc2oc3c(c2c1)CCCC3 ZINC000822665191 606211091 /nfs/dbraw/zinc/21/10/91/606211091.db2.gz KJSNPTZVYPTFCU-UHFFFAOYSA-N -1 3 363.377 3.049 20 0 FGADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Oc1ccc2oc3c(c2c1)CCCC3 ZINC000822665191 606211093 /nfs/dbraw/zinc/21/10/93/606211093.db2.gz KJSNPTZVYPTFCU-UHFFFAOYSA-N -1 3 363.377 3.049 20 0 FGADHM C[C@H](NC(=O)c1cc(-c2nnn[n-]2)cn1C)c1ccc(-c2ccccc2)cc1 ZINC000820384528 606211365 /nfs/dbraw/zinc/21/13/65/606211365.db2.gz HDCUROUNYJPCJC-AWEZNQCLSA-N -1 3 372.432 3.363 20 0 FGADHM C[C@H](NC(=O)c1cc(-c2nn[n-]n2)cn1C)c1ccc(-c2ccccc2)cc1 ZINC000820384528 606211367 /nfs/dbraw/zinc/21/13/67/606211367.db2.gz HDCUROUNYJPCJC-AWEZNQCLSA-N -1 3 372.432 3.363 20 0 FGADHM Cc1cc(C)c(NC(=O)CN(C)c2ccc(F)cc2-c2nnn[n-]2)c(C)c1 ZINC000822194376 606214682 /nfs/dbraw/zinc/21/46/82/606214682.db2.gz UVKXSVSUOCAYAZ-UHFFFAOYSA-N -1 3 368.416 3.006 20 0 FGADHM Cc1cc(C)c(NC(=O)CN(C)c2ccc(F)cc2-c2nn[n-]n2)c(C)c1 ZINC000822194376 606214684 /nfs/dbraw/zinc/21/46/84/606214684.db2.gz UVKXSVSUOCAYAZ-UHFFFAOYSA-N -1 3 368.416 3.006 20 0 FGADHM CCCCN(C(=O)c1cc(-c2nnn[n-]2)cn1C)[C@H](C)c1ccc(C)o1 ZINC000821060317 606223064 /nfs/dbraw/zinc/22/30/64/606223064.db2.gz AJKHMGKAMQXGNG-CYBMUJFWSA-N -1 3 356.430 3.110 20 0 FGADHM CCCCN(C(=O)c1cc(-c2nn[n-]n2)cn1C)[C@H](C)c1ccc(C)o1 ZINC000821060317 606223066 /nfs/dbraw/zinc/22/30/66/606223066.db2.gz AJKHMGKAMQXGNG-CYBMUJFWSA-N -1 3 356.430 3.110 20 0 FGADHM O=C(Cc1coc2cc(F)ccc12)OCc1cccc(-c2nnn[n-]2)c1 ZINC000823118745 606227647 /nfs/dbraw/zinc/22/76/47/606227647.db2.gz OXQYMHDFOMUWGY-UHFFFAOYSA-N -1 3 352.325 3.038 20 0 FGADHM O=C(Cc1coc2cc(F)ccc12)OCc1cccc(-c2nn[n-]n2)c1 ZINC000823118745 606227648 /nfs/dbraw/zinc/22/76/48/606227648.db2.gz OXQYMHDFOMUWGY-UHFFFAOYSA-N -1 3 352.325 3.038 20 0 FGADHM O=C(Cc1coc2cc(F)ccc12)OCc1ccccc1-c1nnn[n-]1 ZINC000823118659 606227892 /nfs/dbraw/zinc/22/78/92/606227892.db2.gz KNZRNEHMACEVEQ-UHFFFAOYSA-N -1 3 352.325 3.038 20 0 FGADHM O=C(Cc1coc2cc(F)ccc12)OCc1ccccc1-c1nn[n-]n1 ZINC000823118659 606227894 /nfs/dbraw/zinc/22/78/94/606227894.db2.gz KNZRNEHMACEVEQ-UHFFFAOYSA-N -1 3 352.325 3.038 20 0 FGADHM O=C(Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1)[C@@H]1C[C@@H]1C1CC1 ZINC000823350258 606230500 /nfs/dbraw/zinc/23/05/00/606230500.db2.gz GHPDDDCWAPIDLC-HZPDHXFCSA-N -1 3 362.393 3.039 20 0 FGADHM O=C(CCOCC1CC1)Nc1sc(-c2ccccc2)cc1-c1nnn[n-]1 ZINC000822974435 606231400 /nfs/dbraw/zinc/23/14/00/606231400.db2.gz MHXSGYSXUCKFPB-UHFFFAOYSA-N -1 3 369.450 3.350 20 0 FGADHM O=C(CCOCC1CC1)Nc1sc(-c2ccccc2)cc1-c1nn[n-]n1 ZINC000822974435 606231401 /nfs/dbraw/zinc/23/14/01/606231401.db2.gz MHXSGYSXUCKFPB-UHFFFAOYSA-N -1 3 369.450 3.350 20 0 FGADHM O[C@@H](C[C@H]1CCCCCN1c1ccc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC000823673720 606241596 /nfs/dbraw/zinc/24/15/96/606241596.db2.gz MWNUVRWZWBRBTP-MSOLQXFVSA-N -1 3 364.453 3.134 20 0 FGADHM O[C@@H](C[C@H]1CCCCCN1c1ccc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC000823673720 606241598 /nfs/dbraw/zinc/24/15/98/606241598.db2.gz MWNUVRWZWBRBTP-MSOLQXFVSA-N -1 3 364.453 3.134 20 0 FGADHM CCN1C(=O)c2cc(Cl)ccc2N[C@@H]1c1cc(-c2nnn[n-]2)cs1 ZINC000821240564 606244544 /nfs/dbraw/zinc/24/45/44/606244544.db2.gz HLPYIPJYKKCEFF-AWEZNQCLSA-N -1 3 360.830 3.168 20 0 FGADHM CCN1C(=O)c2cc(Cl)ccc2N[C@@H]1c1cc(-c2nn[n-]n2)cs1 ZINC000821240564 606244546 /nfs/dbraw/zinc/24/45/46/606244546.db2.gz HLPYIPJYKKCEFF-AWEZNQCLSA-N -1 3 360.830 3.168 20 0 FGADHM CCN1C(=O)c2cc(Cl)ccc2N[C@H]1c1cc(-c2nnn[n-]2)cs1 ZINC000821240567 606244672 /nfs/dbraw/zinc/24/46/72/606244672.db2.gz HLPYIPJYKKCEFF-CQSZACIVSA-N -1 3 360.830 3.168 20 0 FGADHM CCN1C(=O)c2cc(Cl)ccc2N[C@H]1c1cc(-c2nn[n-]n2)cs1 ZINC000821240567 606244673 /nfs/dbraw/zinc/24/46/73/606244673.db2.gz HLPYIPJYKKCEFF-CQSZACIVSA-N -1 3 360.830 3.168 20 0 FGADHM O=C(NCCC(c1ccccc1)c1ccccc1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823182535 606246166 /nfs/dbraw/zinc/24/61/66/606246166.db2.gz MAYUYCXFVRAFJX-UHFFFAOYSA-N -1 3 372.432 3.147 20 0 FGADHM O=C(NCCC(c1ccccc1)c1ccccc1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823182535 606246169 /nfs/dbraw/zinc/24/61/69/606246169.db2.gz MAYUYCXFVRAFJX-UHFFFAOYSA-N -1 3 372.432 3.147 20 0 FGADHM O=C1[C@@H](Nc2cccc(C(F)F)c2)CCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000823511488 606249204 /nfs/dbraw/zinc/24/92/04/606249204.db2.gz GGAWEKAPGDFXIZ-HNNXBMFYSA-N -1 3 370.363 3.022 20 0 FGADHM O=C1[C@@H](Nc2cccc(C(F)F)c2)CCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000823511488 606249206 /nfs/dbraw/zinc/24/92/06/606249206.db2.gz GGAWEKAPGDFXIZ-HNNXBMFYSA-N -1 3 370.363 3.022 20 0 FGADHM CCCOc1ccc(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)cc1OCCC ZINC000821134212 606250762 /nfs/dbraw/zinc/25/07/62/606250762.db2.gz OKJDPAXQFGICCV-UHFFFAOYSA-N -1 3 370.413 3.025 20 0 FGADHM CCCOc1ccc(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)cc1OCCC ZINC000821134212 606250764 /nfs/dbraw/zinc/25/07/64/606250764.db2.gz OKJDPAXQFGICCV-UHFFFAOYSA-N -1 3 370.413 3.025 20 0 FGADHM Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)c2cc(-c3nnn[n-]3)cn2C)cc1 ZINC000822232084 606255010 /nfs/dbraw/zinc/25/50/10/606255010.db2.gz SOYVRPCZLZHXCA-KDOFPFPSSA-N -1 3 364.453 3.127 20 0 FGADHM Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)c2cc(-c3nn[n-]n3)cn2C)cc1 ZINC000822232084 606255012 /nfs/dbraw/zinc/25/50/12/606255012.db2.gz SOYVRPCZLZHXCA-KDOFPFPSSA-N -1 3 364.453 3.127 20 0 FGADHM CCCN(C)C(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000821088434 606264987 /nfs/dbraw/zinc/26/49/87/606264987.db2.gz NXQFXHOGSRYVNU-UHFFFAOYSA-N -1 3 353.451 3.500 20 0 FGADHM CCCN(C)C(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000821088434 606264989 /nfs/dbraw/zinc/26/49/89/606264989.db2.gz NXQFXHOGSRYVNU-UHFFFAOYSA-N -1 3 353.451 3.500 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)Cc1coc2cc(F)ccc12 ZINC000822217874 606264993 /nfs/dbraw/zinc/26/49/93/606264993.db2.gz QDWNTGCENQKCOT-UHFFFAOYSA-N -1 3 351.341 3.242 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)Cc1coc2cc(F)ccc12 ZINC000822217874 606264996 /nfs/dbraw/zinc/26/49/96/606264996.db2.gz QDWNTGCENQKCOT-UHFFFAOYSA-N -1 3 351.341 3.242 20 0 FGADHM Cc1cc(C)cc(OCCC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000822197949 606265166 /nfs/dbraw/zinc/26/51/66/606265166.db2.gz VWICITSFQHIZLG-UHFFFAOYSA-N -1 3 355.373 3.030 20 0 FGADHM Cc1cc(C)cc(OCCC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000822197949 606265168 /nfs/dbraw/zinc/26/51/68/606265168.db2.gz VWICITSFQHIZLG-UHFFFAOYSA-N -1 3 355.373 3.030 20 0 FGADHM CC(C)CCOc1ccc([C@@H](C)NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)cc1 ZINC000820076867 606266163 /nfs/dbraw/zinc/26/61/63/606266163.db2.gz VMNKYFKIFSDLQH-CYBMUJFWSA-N -1 3 368.441 3.111 20 0 FGADHM CC(C)CCOc1ccc([C@@H](C)NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)cc1 ZINC000820076867 606266165 /nfs/dbraw/zinc/26/61/65/606266165.db2.gz VMNKYFKIFSDLQH-CYBMUJFWSA-N -1 3 368.441 3.111 20 0 FGADHM C[C@@H]1C[C@@H]1NC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000820674552 606267326 /nfs/dbraw/zinc/26/73/26/606267326.db2.gz FFIBBSHXHHNJAO-ABAIWWIYSA-N -1 3 351.435 3.156 20 0 FGADHM C[C@@H]1C[C@@H]1NC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000820674552 606267328 /nfs/dbraw/zinc/26/73/28/606267328.db2.gz FFIBBSHXHHNJAO-ABAIWWIYSA-N -1 3 351.435 3.156 20 0 FGADHM CC(C)=C(C)C(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000820004986 606281439 /nfs/dbraw/zinc/28/14/39/606281439.db2.gz HMDONFIXUSMGHL-UHFFFAOYSA-N -1 3 354.439 3.209 20 0 FGADHM CC(C)=C(C)C(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000820004986 606281441 /nfs/dbraw/zinc/28/14/41/606281441.db2.gz HMDONFIXUSMGHL-UHFFFAOYSA-N -1 3 354.439 3.209 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cncc2ccccc21 ZINC000821123455 606283172 /nfs/dbraw/zinc/28/31/72/606283172.db2.gz TYGYODBKKMJCJE-UHFFFAOYSA-N -1 3 373.420 3.489 20 0 FGADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1ccc(NC2CCCCC2)cc1 ZINC000822649483 606285230 /nfs/dbraw/zinc/28/52/30/606285230.db2.gz CUXZCQSLTRZQLO-UHFFFAOYSA-N -1 3 365.441 3.202 20 0 FGADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1ccc(NC2CCCCC2)cc1 ZINC000822649483 606285232 /nfs/dbraw/zinc/28/52/32/606285232.db2.gz CUXZCQSLTRZQLO-UHFFFAOYSA-N -1 3 365.441 3.202 20 0 FGADHM COC(=O)[C@H](Nc1ccc2ccccc2c1)c1cccc(-c2nnn[n-]2)c1 ZINC000821645416 606297622 /nfs/dbraw/zinc/29/76/22/606297622.db2.gz ZBXMJJNORQGICZ-GOSISDBHSA-N -1 3 359.389 3.346 20 0 FGADHM COC(=O)[C@H](Nc1ccc2ccccc2c1)c1cccc(-c2nn[n-]n2)c1 ZINC000821645416 606297624 /nfs/dbraw/zinc/29/76/24/606297624.db2.gz ZBXMJJNORQGICZ-GOSISDBHSA-N -1 3 359.389 3.346 20 0 FGADHM CCCc1ccc(N[C@H](C(=O)OC)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821142497 606297801 /nfs/dbraw/zinc/29/78/01/606297801.db2.gz JTERBXGJZDWQIE-KRWDZBQOSA-N -1 3 351.410 3.145 20 0 FGADHM CCCc1ccc(N[C@H](C(=O)OC)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821142497 606297802 /nfs/dbraw/zinc/29/78/02/606297802.db2.gz JTERBXGJZDWQIE-KRWDZBQOSA-N -1 3 351.410 3.145 20 0 FGADHM CC[C@@H](C)CN(CC)C(=O)c1cc(C2CC2)nc(SC)c1-c1nnn[n-]1 ZINC000820869524 606324167 /nfs/dbraw/zinc/32/41/67/606324167.db2.gz HJXQMOSSSPMXAD-LLVKDONJSA-N -1 3 374.514 3.369 20 0 FGADHM Cc1cccc2c(=O)[nH]c(CSc3cccc(-c4nnn[n-]4)c3)nc12 ZINC000822331349 606329237 /nfs/dbraw/zinc/32/92/37/606329237.db2.gz FXSGJWOOWDRJTK-UHFFFAOYSA-N -1 3 350.407 3.116 20 0 FGADHM Cc1cccc2c(=O)[nH]c(CSc3cccc(-c4nn[n-]n4)c3)nc12 ZINC000822331349 606329238 /nfs/dbraw/zinc/32/92/38/606329238.db2.gz FXSGJWOOWDRJTK-UHFFFAOYSA-N -1 3 350.407 3.116 20 0 FGADHM C[C@H]1[C@H](c2ccccc2)CCN1C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820643435 606343346 /nfs/dbraw/zinc/34/33/46/606343346.db2.gz WLCFDMZTVRKYSN-SWLSCSKDSA-N -1 3 366.400 3.416 20 0 FGADHM C[C@H]1[C@H](c2ccccc2)CCN1C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820643435 606343349 /nfs/dbraw/zinc/34/33/49/606343349.db2.gz WLCFDMZTVRKYSN-SWLSCSKDSA-N -1 3 366.400 3.416 20 0 FGADHM C[C@@H](OC(=O)CCOc1ccc(F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820498048 606349373 /nfs/dbraw/zinc/34/93/73/606349373.db2.gz YMLZOXBVRNOMDI-GFCCVEGCSA-N -1 3 356.357 3.079 20 0 FGADHM C[C@@H](OC(=O)CCOc1ccc(F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820498048 606349375 /nfs/dbraw/zinc/34/93/75/606349375.db2.gz YMLZOXBVRNOMDI-GFCCVEGCSA-N -1 3 356.357 3.079 20 0 FGADHM Cc1cnc([C@@H](NC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)C2CC2)s1 ZINC000822389271 606351204 /nfs/dbraw/zinc/35/12/04/606351204.db2.gz QNSBTPVQNFUOIT-ZDUSSCGKSA-N -1 3 373.417 3.044 20 0 FGADHM Cc1cnc([C@@H](NC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C2CC2)s1 ZINC000822389271 606351206 /nfs/dbraw/zinc/35/12/06/606351206.db2.gz QNSBTPVQNFUOIT-ZDUSSCGKSA-N -1 3 373.417 3.044 20 0 FGADHM Cc1ccc2c(c1)[C@@H](NC(=O)Nc1ccc(F)cc1-c1nnn[n-]1)CC2 ZINC000822274830 606351395 /nfs/dbraw/zinc/35/13/95/606351395.db2.gz KIINXUXIBZHZTD-HNNXBMFYSA-N -1 3 352.373 3.123 20 0 FGADHM Cc1ccc2c(c1)[C@@H](NC(=O)Nc1ccc(F)cc1-c1nn[n-]n1)CC2 ZINC000822274830 606351397 /nfs/dbraw/zinc/35/13/97/606351397.db2.gz KIINXUXIBZHZTD-HNNXBMFYSA-N -1 3 352.373 3.123 20 0 FGADHM CCC[C@@H](NC(=O)Nc1ccc(F)cc1-c1nnn[n-]1)c1ccccn1 ZINC000821023311 606355575 /nfs/dbraw/zinc/35/55/75/606355575.db2.gz XMWQJLAKAGASHV-OAHLLOKOSA-N -1 3 355.377 3.064 20 0 FGADHM CCC[C@@H](NC(=O)Nc1ccc(F)cc1-c1nn[n-]n1)c1ccccn1 ZINC000821023311 606355576 /nfs/dbraw/zinc/35/55/76/606355576.db2.gz XMWQJLAKAGASHV-OAHLLOKOSA-N -1 3 355.377 3.064 20 0 FGADHM Cc1cccnc1[C@H](NC(=O)Nc1ccc(F)cc1-c1nnn[n-]1)C(C)C ZINC000822369408 606358109 /nfs/dbraw/zinc/35/81/09/606358109.db2.gz IWVVDWXTZFBPSP-OAHLLOKOSA-N -1 3 369.404 3.228 20 0 FGADHM Cc1cccnc1[C@H](NC(=O)Nc1ccc(F)cc1-c1nn[n-]n1)C(C)C ZINC000822369408 606358111 /nfs/dbraw/zinc/35/81/11/606358111.db2.gz IWVVDWXTZFBPSP-OAHLLOKOSA-N -1 3 369.404 3.228 20 0 FGADHM CS/C=C/C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000821956610 606361224 /nfs/dbraw/zinc/36/12/24/606361224.db2.gz STYKSKUKRYQTTB-BQYQJAHWSA-N -1 3 357.464 3.088 20 0 FGADHM CS/C=C\C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821956447 606361615 /nfs/dbraw/zinc/36/16/15/606361615.db2.gz OXGDEEXENQGWQP-KHPPLWFESA-N -1 3 353.407 3.474 20 0 FGADHM CS/C=C\C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821956447 606361617 /nfs/dbraw/zinc/36/16/17/606361617.db2.gz OXGDEEXENQGWQP-KHPPLWFESA-N -1 3 353.407 3.474 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cc(C)c(F)cc1F ZINC000821411814 606362945 /nfs/dbraw/zinc/36/29/45/606362945.db2.gz BUSJTBCKMNWJFS-UHFFFAOYSA-N -1 3 359.336 3.104 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(C)c(F)cc1F ZINC000821411814 606362946 /nfs/dbraw/zinc/36/29/46/606362946.db2.gz BUSJTBCKMNWJFS-UHFFFAOYSA-N -1 3 359.336 3.104 20 0 FGADHM COC(=O)[C@H](OC(=O)C[C@@H](C)CC(C)(C)C)c1cccc(-c2nnn[n-]2)c1 ZINC000821646569 606371288 /nfs/dbraw/zinc/37/12/88/606371288.db2.gz KILHONVLLPFINW-MLGOLLRUSA-N -1 3 374.441 3.086 20 0 FGADHM COC(=O)[C@H](OC(=O)C[C@@H](C)CC(C)(C)C)c1cccc(-c2nn[n-]n2)c1 ZINC000821646569 606371290 /nfs/dbraw/zinc/37/12/90/606371290.db2.gz KILHONVLLPFINW-MLGOLLRUSA-N -1 3 374.441 3.086 20 0 FGADHM Cc1c(C(=O)OCc2ccc(F)cc2-c2nnn[n-]2)cnc2ccccc12 ZINC000822020355 606380978 /nfs/dbraw/zinc/38/09/78/606380978.db2.gz AMEWCHYQVSBJGI-UHFFFAOYSA-N -1 3 363.352 3.219 20 0 FGADHM Cc1c(C(=O)OCc2ccc(F)cc2-c2nn[n-]n2)cnc2ccccc12 ZINC000822020355 606380980 /nfs/dbraw/zinc/38/09/80/606380980.db2.gz AMEWCHYQVSBJGI-UHFFFAOYSA-N -1 3 363.352 3.219 20 0 FGADHM CCS[C@@H]1CCC[C@@H](NC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000821456435 606382753 /nfs/dbraw/zinc/38/27/53/606382753.db2.gz PWBQHDKOGPAECC-ZYHUDNBSSA-N -1 3 364.450 3.192 20 0 FGADHM CCS[C@@H]1CCC[C@@H](NC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000821456435 606382756 /nfs/dbraw/zinc/38/27/56/606382756.db2.gz PWBQHDKOGPAECC-ZYHUDNBSSA-N -1 3 364.450 3.192 20 0 FGADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)N(CC(F)(F)F)C1CCCC1 ZINC000822974686 606430891 /nfs/dbraw/zinc/43/08/91/606430891.db2.gz YPZYWLTVIXBXRZ-UHFFFAOYSA-N -1 3 367.375 3.133 20 0 FGADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)N(CC(F)(F)F)C1CCCC1 ZINC000822974686 606430893 /nfs/dbraw/zinc/43/08/93/606430893.db2.gz YPZYWLTVIXBXRZ-UHFFFAOYSA-N -1 3 367.375 3.133 20 0 FGADHM Clc1ccc(-n2cccn2)c(NCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822573672 606448741 /nfs/dbraw/zinc/44/87/41/606448741.db2.gz CRVOTFKGROQERY-UHFFFAOYSA-N -1 3 351.801 3.318 20 0 FGADHM Clc1ccc(-n2cccn2)c(NCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822573672 606448743 /nfs/dbraw/zinc/44/87/43/606448743.db2.gz CRVOTFKGROQERY-UHFFFAOYSA-N -1 3 351.801 3.318 20 0 FGADHM Fc1ccc(-c2nnn[n-]2)cc1CNc1cc(Cl)ccc1-n1cccn1 ZINC000822762086 606448787 /nfs/dbraw/zinc/44/87/87/606448787.db2.gz YNFRGFUOSTYWDP-UHFFFAOYSA-N -1 3 369.791 3.457 20 0 FGADHM Fc1ccc(-c2nn[n-]n2)cc1CNc1cc(Cl)ccc1-n1cccn1 ZINC000822762086 606448788 /nfs/dbraw/zinc/44/87/88/606448788.db2.gz YNFRGFUOSTYWDP-UHFFFAOYSA-N -1 3 369.791 3.457 20 0 FGADHM COc1cc2nc(C)sc2cc1NCc1cccc(-c2nnn[n-]2)c1 ZINC000821727644 606455221 /nfs/dbraw/zinc/45/52/21/606455221.db2.gz LPUPNFXSXBYXPF-UHFFFAOYSA-N -1 3 352.423 3.406 20 0 FGADHM COc1cc2nc(C)sc2cc1NCc1cccc(-c2nn[n-]n2)c1 ZINC000821727644 606455223 /nfs/dbraw/zinc/45/52/23/606455223.db2.gz LPUPNFXSXBYXPF-UHFFFAOYSA-N -1 3 352.423 3.406 20 0 FGADHM O=C1CCCN1c1ccc(Cl)c(NCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000823530748 606460131 /nfs/dbraw/zinc/46/01/31/606460131.db2.gz QSGDDNQROFXXHZ-UHFFFAOYSA-N -1 3 368.828 3.259 20 0 FGADHM O=C1CCCN1c1ccc(Cl)c(NCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000823530748 606460132 /nfs/dbraw/zinc/46/01/32/606460132.db2.gz QSGDDNQROFXXHZ-UHFFFAOYSA-N -1 3 368.828 3.259 20 0 FGADHM O=C(O[C@H](c1ccccc1)c1ccncc1)c1cc(-c2nnn[n-]2)cs1 ZINC000823392172 606463316 /nfs/dbraw/zinc/46/33/16/606463316.db2.gz MKBASLQAJWSAMB-MRXNPFEDSA-N -1 3 363.402 3.270 20 0 FGADHM O=C(O[C@H](c1ccccc1)c1ccncc1)c1cc(-c2nn[n-]n2)cs1 ZINC000823392172 606463318 /nfs/dbraw/zinc/46/33/18/606463318.db2.gz MKBASLQAJWSAMB-MRXNPFEDSA-N -1 3 363.402 3.270 20 0 FGADHM CCN(C(=O)c1cc(-c2nnn[n-]2)cs1)C12CC3CC(CC(C3)C1)C2 ZINC000821154794 606478158 /nfs/dbraw/zinc/47/81/58/606478158.db2.gz RPHOPDSBSBOPFF-UHFFFAOYSA-N -1 3 357.483 3.359 20 0 FGADHM CCN(C(=O)c1cc(-c2nn[n-]n2)cs1)C12CC3CC(CC(C3)C1)C2 ZINC000821154794 606478160 /nfs/dbraw/zinc/47/81/60/606478160.db2.gz RPHOPDSBSBOPFF-UHFFFAOYSA-N -1 3 357.483 3.359 20 0 FGADHM CN(Cc1ccsc1)Cc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000821615552 606479930 /nfs/dbraw/zinc/47/99/30/606479930.db2.gz BSYWMGKCQRRJRJ-UHFFFAOYSA-N -1 3 351.382 3.162 20 0 FGADHM CN(Cc1ccsc1)Cc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000821615552 606479931 /nfs/dbraw/zinc/47/99/31/606479931.db2.gz BSYWMGKCQRRJRJ-UHFFFAOYSA-N -1 3 351.382 3.162 20 0 FGADHM C[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)cs2)c2ccccc2S1 ZINC000820716538 606485408 /nfs/dbraw/zinc/48/54/08/606485408.db2.gz JIDZELMHOMTZHV-SNVBAGLBSA-N -1 3 357.464 3.459 20 0 FGADHM C[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)cs2)c2ccccc2S1 ZINC000820716538 606485409 /nfs/dbraw/zinc/48/54/09/606485409.db2.gz JIDZELMHOMTZHV-SNVBAGLBSA-N -1 3 357.464 3.459 20 0 FGADHM O=C(N[C@H]1CCSc2c(F)cccc21)c1cc(-c2nnn[n-]2)cs1 ZINC000823162684 606486055 /nfs/dbraw/zinc/48/60/55/606486055.db2.gz ZLXXYIDIBZSQBC-NSHDSACASA-N -1 3 361.427 3.034 20 0 FGADHM O=C(N[C@H]1CCSc2c(F)cccc21)c1cc(-c2nn[n-]n2)cs1 ZINC000823162684 606486056 /nfs/dbraw/zinc/48/60/56/606486056.db2.gz ZLXXYIDIBZSQBC-NSHDSACASA-N -1 3 361.427 3.034 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1OC(F)F)CC(F)(F)F ZINC000821109238 606487166 /nfs/dbraw/zinc/48/71/66/606487166.db2.gz DLHDILHJYBQEQR-UHFFFAOYSA-N -1 3 365.306 3.242 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1OC(F)F)CC(F)(F)F ZINC000821109238 606487167 /nfs/dbraw/zinc/48/71/67/606487167.db2.gz DLHDILHJYBQEQR-UHFFFAOYSA-N -1 3 365.306 3.242 20 0 FGADHM O=C(NCCc1cc(Cl)cc(Cl)c1)c1cc(-c2nnn[n-]2)cs1 ZINC000823219949 606499786 /nfs/dbraw/zinc/49/97/86/606499786.db2.gz USTNQZOYKRCDSW-UHFFFAOYSA-N -1 3 368.249 3.208 20 0 FGADHM O=C(NCCc1cc(Cl)cc(Cl)c1)c1cc(-c2nn[n-]n2)cs1 ZINC000823219949 606499788 /nfs/dbraw/zinc/49/97/88/606499788.db2.gz USTNQZOYKRCDSW-UHFFFAOYSA-N -1 3 368.249 3.208 20 0 FGADHM C[C@H]1CN(C(=O)c2cc(-c3nnn[n-]3)cs2)c2cc(Cl)ccc2O1 ZINC000820743083 606520245 /nfs/dbraw/zinc/52/02/45/606520245.db2.gz QEDXOCFAUZIWFG-QMMMGPOBSA-N -1 3 361.814 3.009 20 0 FGADHM C[C@H]1CN(C(=O)c2cc(-c3nn[n-]n3)cs2)c2cc(Cl)ccc2O1 ZINC000820743083 606520247 /nfs/dbraw/zinc/52/02/47/606520247.db2.gz QEDXOCFAUZIWFG-QMMMGPOBSA-N -1 3 361.814 3.009 20 0 FGADHM C[C@@H](NC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1F ZINC000821995055 606534646 /nfs/dbraw/zinc/53/46/46/606534646.db2.gz YBKMAEPCIKZBRU-LLVKDONJSA-N -1 3 372.379 3.048 20 0 FGADHM C[C@@H](NC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1F ZINC000821995055 606534648 /nfs/dbraw/zinc/53/46/48/606534648.db2.gz YBKMAEPCIKZBRU-LLVKDONJSA-N -1 3 372.379 3.048 20 0 FGADHM CN(Cc1csc2ccccc12)C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000821616811 606536728 /nfs/dbraw/zinc/53/67/28/606536728.db2.gz ILDXHIGNCRVPQY-UHFFFAOYSA-N -1 3 355.448 3.415 20 0 FGADHM CN(Cc1csc2ccccc12)C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000821616811 606536731 /nfs/dbraw/zinc/53/67/31/606536731.db2.gz ILDXHIGNCRVPQY-UHFFFAOYSA-N -1 3 355.448 3.415 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000823088400 606537337 /nfs/dbraw/zinc/53/73/37/606537337.db2.gz XRRDSINBPNCRPS-GOSISDBHSA-N -1 3 365.412 3.302 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000823088400 606537339 /nfs/dbraw/zinc/53/73/39/606537339.db2.gz XRRDSINBPNCRPS-GOSISDBHSA-N -1 3 365.412 3.302 20 0 FGADHM CCc1ccc(C(C)(C)CNC(=O)c2cc(-c3nnn[n-]3)cs2)cc1 ZINC000821476942 606545832 /nfs/dbraw/zinc/54/58/32/606545832.db2.gz VYPLRGYMNMQKII-UHFFFAOYSA-N -1 3 355.467 3.198 20 0 FGADHM CCc1ccc(C(C)(C)CNC(=O)c2cc(-c3nn[n-]n3)cs2)cc1 ZINC000821476942 606545834 /nfs/dbraw/zinc/54/58/34/606545834.db2.gz VYPLRGYMNMQKII-UHFFFAOYSA-N -1 3 355.467 3.198 20 0 FGADHM O=C(c1cc(-c2nnn[n-]2)cs1)N1CC2(CCCC2)c2ccccc21 ZINC000823466385 606548601 /nfs/dbraw/zinc/54/86/01/606548601.db2.gz KVBWTPGPEHJQIJ-UHFFFAOYSA-N -1 3 351.435 3.400 20 0 FGADHM O=C(c1cc(-c2nn[n-]n2)cs1)N1CC2(CCCC2)c2ccccc21 ZINC000823466385 606548602 /nfs/dbraw/zinc/54/86/02/606548602.db2.gz KVBWTPGPEHJQIJ-UHFFFAOYSA-N -1 3 351.435 3.400 20 0 FGADHM C[C@H]1CN(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C[C@H]1C ZINC000820743383 606577822 /nfs/dbraw/zinc/57/78/22/606577822.db2.gz TWAKAUXZGYUHEB-DTORHVGOSA-N -1 3 354.336 3.005 20 0 FGADHM C[C@H]1CN(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C[C@H]1C ZINC000820743383 606577824 /nfs/dbraw/zinc/57/78/24/606577824.db2.gz TWAKAUXZGYUHEB-DTORHVGOSA-N -1 3 354.336 3.005 20 0 FGADHM Fc1ccc(F)c(OCc2ccc(-c3nnn[n-]3)cc2OC(F)F)c1 ZINC000822775318 606591545 /nfs/dbraw/zinc/59/15/45/606591545.db2.gz VRJSBGBCQWOIOM-UHFFFAOYSA-N -1 3 354.263 3.325 20 0 FGADHM Fc1ccc(F)c(OCc2ccc(-c3nn[n-]n3)cc2OC(F)F)c1 ZINC000822775318 606591547 /nfs/dbraw/zinc/59/15/47/606591547.db2.gz VRJSBGBCQWOIOM-UHFFFAOYSA-N -1 3 354.263 3.325 20 0 FGADHM O=C(N[C@@H](C1CCCCC1)C(F)(F)F)c1cc(-c2nnn[n-]2)cs1 ZINC000823139275 606605346 /nfs/dbraw/zinc/60/53/46/606605346.db2.gz BKRFQQIHRDUXDT-NSHDSACASA-N -1 3 359.377 3.169 20 0 FGADHM O=C(N[C@@H](C1CCCCC1)C(F)(F)F)c1cc(-c2nn[n-]n2)cs1 ZINC000823139275 606605348 /nfs/dbraw/zinc/60/53/48/606605348.db2.gz BKRFQQIHRDUXDT-NSHDSACASA-N -1 3 359.377 3.169 20 0 FGADHM CCO[C@@H]1C[C@H](NC(=S)Nc2ccccc2-c2nnn[n-]2)C1(CC)CC ZINC000821361411 606618706 /nfs/dbraw/zinc/61/87/06/606618706.db2.gz URSAYQYQQHZXHW-LSDHHAIUSA-N -1 3 374.514 3.137 20 0 FGADHM CCO[C@@H]1C[C@H](NC(=S)Nc2ccccc2-c2nn[n-]n2)C1(CC)CC ZINC000821361411 606618708 /nfs/dbraw/zinc/61/87/08/606618708.db2.gz URSAYQYQQHZXHW-LSDHHAIUSA-N -1 3 374.514 3.137 20 0 FGADHM C[C@@H](C(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)s1 ZINC000819857272 606626017 /nfs/dbraw/zinc/62/60/17/606626017.db2.gz QIIISSHKLXXTSC-SNVBAGLBSA-N -1 3 361.858 3.344 20 0 FGADHM C[C@@H](C(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)s1 ZINC000819857272 606626019 /nfs/dbraw/zinc/62/60/19/606626019.db2.gz QIIISSHKLXXTSC-SNVBAGLBSA-N -1 3 361.858 3.344 20 0 FGADHM O=Cc1ccc(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)[nH]1 ZINC000823556855 606629051 /nfs/dbraw/zinc/62/90/51/606629051.db2.gz AXQDGPXESXWOHP-UHFFFAOYSA-N -1 3 374.360 3.052 20 0 FGADHM C[C@@H](Sc1ccc(Cl)cc1-c1nnn[n-]1)C(=O)NC1CCCC1 ZINC000820549593 606630299 /nfs/dbraw/zinc/63/02/99/606630299.db2.gz PGJWBFPTDZXOCC-SECBINFHSA-N -1 3 351.863 3.060 20 0 FGADHM C[C@@H](Sc1ccc(Cl)cc1-c1nn[n-]n1)C(=O)NC1CCCC1 ZINC000820549593 606630301 /nfs/dbraw/zinc/63/03/01/606630301.db2.gz PGJWBFPTDZXOCC-SECBINFHSA-N -1 3 351.863 3.060 20 0 FGADHM Cc1[nH]ccc1C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822009723 606631658 /nfs/dbraw/zinc/63/16/58/606631658.db2.gz CUVBIPPFZIUKAM-UHFFFAOYSA-N -1 3 374.404 3.335 20 0 FGADHM Cc1[nH]ccc1C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822009723 606631660 /nfs/dbraw/zinc/63/16/60/606631660.db2.gz CUVBIPPFZIUKAM-UHFFFAOYSA-N -1 3 374.404 3.335 20 0 FGADHM CC(C)(C)N(Cc1ccccc1)C(=O)CNc1cccc(-c2nnn[n-]2)c1 ZINC000819913938 606659794 /nfs/dbraw/zinc/65/97/94/606659794.db2.gz IHCJMEBRAVTDCU-UHFFFAOYSA-N -1 3 364.453 3.106 20 0 FGADHM CC(C)(C)N(Cc1ccccc1)C(=O)CNc1cccc(-c2nn[n-]n2)c1 ZINC000819913938 606659795 /nfs/dbraw/zinc/65/97/95/606659795.db2.gz IHCJMEBRAVTDCU-UHFFFAOYSA-N -1 3 364.453 3.106 20 0 FGADHM CCCOc1ccc(OC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1 ZINC000821133665 606665412 /nfs/dbraw/zinc/66/54/12/606665412.db2.gz CMUFGEFHUSHBCW-UHFFFAOYSA-N -1 3 360.320 3.153 20 0 FGADHM CCCOc1ccc(OC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1 ZINC000821133665 606665413 /nfs/dbraw/zinc/66/54/13/606665413.db2.gz CMUFGEFHUSHBCW-UHFFFAOYSA-N -1 3 360.320 3.153 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@@H]1C[C@H]1Cc1ccccc1 ZINC000821389319 606666374 /nfs/dbraw/zinc/66/63/74/606666374.db2.gz IWKJZZBPBZRYMF-HZPDHXFCSA-N -1 3 364.405 3.050 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@@H]1C[C@H]1Cc1ccccc1 ZINC000821389319 606666375 /nfs/dbraw/zinc/66/63/75/606666375.db2.gz IWKJZZBPBZRYMF-HZPDHXFCSA-N -1 3 364.405 3.050 20 0 FGADHM Cc1ccc([C@@H](C)NC(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1F ZINC000822228799 606666426 /nfs/dbraw/zinc/66/64/26/606666426.db2.gz FVUCGTLIMGVHPQ-CHWSQXEVSA-N -1 3 368.416 3.436 20 0 FGADHM Cc1ccc([C@@H](C)NC(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000822228799 606666427 /nfs/dbraw/zinc/66/64/27/606666427.db2.gz FVUCGTLIMGVHPQ-CHWSQXEVSA-N -1 3 368.416 3.436 20 0 FGADHM O=C(c1c(F)cc(-c2nnn[n-]2)cc1F)N1CCC[C@@H]1c1cccs1 ZINC000823454027 606666487 /nfs/dbraw/zinc/66/64/87/606666487.db2.gz JHIJURBBHNLRCY-GFCCVEGCSA-N -1 3 361.377 3.184 20 0 FGADHM O=C(c1c(F)cc(-c2nn[n-]n2)cc1F)N1CCC[C@@H]1c1cccs1 ZINC000823454027 606666488 /nfs/dbraw/zinc/66/64/88/606666488.db2.gz JHIJURBBHNLRCY-GFCCVEGCSA-N -1 3 361.377 3.184 20 0 FGADHM CC(C)CN(C(=O)Cc1ccc(F)c(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820081731 606669984 /nfs/dbraw/zinc/66/99/84/606669984.db2.gz SQQSURXQFXSHNH-UHFFFAOYSA-N -1 3 371.391 3.377 20 0 FGADHM CC(C)CN(C(=O)Cc1ccc(F)c(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820081731 606669985 /nfs/dbraw/zinc/66/99/85/606669985.db2.gz SQQSURXQFXSHNH-UHFFFAOYSA-N -1 3 371.391 3.377 20 0 FGADHM CC(C)Oc1ccccc1NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820178163 606671473 /nfs/dbraw/zinc/67/14/73/606671473.db2.gz IRZANDKSJLIVLK-UHFFFAOYSA-N -1 3 359.336 3.184 20 0 FGADHM CC(C)Oc1ccccc1NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820178163 606671474 /nfs/dbraw/zinc/67/14/74/606671474.db2.gz IRZANDKSJLIVLK-UHFFFAOYSA-N -1 3 359.336 3.184 20 0 FGADHM O=C(c1c(F)cc(-c2nnn[n-]2)cc1F)N(CC1CCCCC1)C1CC1 ZINC000823454765 606674153 /nfs/dbraw/zinc/67/41/53/606674153.db2.gz TXYXXIWHPRNGFT-UHFFFAOYSA-N -1 3 361.396 3.330 20 0 FGADHM O=C(c1c(F)cc(-c2nn[n-]n2)cc1F)N(CC1CCCCC1)C1CC1 ZINC000823454765 606674154 /nfs/dbraw/zinc/67/41/54/606674154.db2.gz TXYXXIWHPRNGFT-UHFFFAOYSA-N -1 3 361.396 3.330 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)CCC(=O)c1ccc(F)c(F)c1 ZINC000822216674 606675941 /nfs/dbraw/zinc/67/59/41/606675941.db2.gz WFVYYBGTMDAEJN-UHFFFAOYSA-N -1 3 371.347 3.055 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)CCC(=O)c1ccc(F)c(F)c1 ZINC000822216674 606675942 /nfs/dbraw/zinc/67/59/42/606675942.db2.gz WFVYYBGTMDAEJN-UHFFFAOYSA-N -1 3 371.347 3.055 20 0 FGADHM COC[C@H](C)CC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821682016 606677591 /nfs/dbraw/zinc/67/75/91/606677591.db2.gz XYUUYPHWIBUROZ-CYBMUJFWSA-N -1 3 367.409 3.270 20 0 FGADHM COC[C@H](C)CC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821682016 606677592 /nfs/dbraw/zinc/67/75/92/606677592.db2.gz XYUUYPHWIBUROZ-CYBMUJFWSA-N -1 3 367.409 3.270 20 0 FGADHM C[C@@H]1c2c(F)cccc2CCN1C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820822518 606681593 /nfs/dbraw/zinc/68/15/93/606681593.db2.gz ZIFNBWAFKXVJAW-SECBINFHSA-N -1 3 373.338 3.044 20 0 FGADHM C[C@@H]1c2c(F)cccc2CCN1C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820822518 606681594 /nfs/dbraw/zinc/68/15/94/606681594.db2.gz ZIFNBWAFKXVJAW-SECBINFHSA-N -1 3 373.338 3.044 20 0 FGADHM CC[C@H](C)c1ccc(C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000820882136 606683219 /nfs/dbraw/zinc/68/32/19/606683219.db2.gz KNZKCPWSRKNPGL-LBPRGKRZSA-N -1 3 353.401 3.449 20 0 FGADHM CC[C@H](C)c1ccc(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000820882136 606683220 /nfs/dbraw/zinc/68/32/20/606683220.db2.gz KNZKCPWSRKNPGL-LBPRGKRZSA-N -1 3 353.401 3.449 20 0 FGADHM O=C(c1c(F)cc(-c2nnn[n-]2)cc1F)N1CCCC2(CCCCC2)C1 ZINC000823453888 606684540 /nfs/dbraw/zinc/68/45/40/606684540.db2.gz DGDULXKENRTGEF-UHFFFAOYSA-N -1 3 361.396 3.331 20 0 FGADHM O=C(c1c(F)cc(-c2nn[n-]n2)cc1F)N1CCCC2(CCCCC2)C1 ZINC000823453888 606684541 /nfs/dbraw/zinc/68/45/41/606684541.db2.gz DGDULXKENRTGEF-UHFFFAOYSA-N -1 3 361.396 3.331 20 0 FGADHM C[C@H]1CSc2ccccc2N1C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820814699 606685705 /nfs/dbraw/zinc/68/57/05/606685705.db2.gz XLFUSUMDYTVEBR-VIFPVBQESA-N -1 3 373.388 3.286 20 0 FGADHM C[C@H]1CSc2ccccc2N1C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820814699 606685706 /nfs/dbraw/zinc/68/57/06/606685706.db2.gz XLFUSUMDYTVEBR-VIFPVBQESA-N -1 3 373.388 3.286 20 0 FGADHM CC1(C)CN(C(=O)c2cccc(-c3nnn[n-]3)c2)c2ccccc2S1 ZINC000820601269 606693229 /nfs/dbraw/zinc/69/32/29/606693229.db2.gz GTBPYNPEJVPBTD-UHFFFAOYSA-N -1 3 351.435 3.398 20 0 FGADHM CC1(C)CN(C(=O)c2cccc(-c3nn[n-]n3)c2)c2ccccc2S1 ZINC000820601269 606693230 /nfs/dbraw/zinc/69/32/30/606693230.db2.gz GTBPYNPEJVPBTD-UHFFFAOYSA-N -1 3 351.435 3.398 20 0 FGADHM CCC1(CC)CCN(C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)C1 ZINC000820956899 606718053 /nfs/dbraw/zinc/71/80/53/606718053.db2.gz KYOOCNMMAXMSRO-UHFFFAOYSA-N -1 3 359.478 3.467 20 0 FGADHM CCC1(CC)CCN(C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)C1 ZINC000820956899 606718055 /nfs/dbraw/zinc/71/80/55/606718055.db2.gz KYOOCNMMAXMSRO-UHFFFAOYSA-N -1 3 359.478 3.467 20 0 FGADHM CCO[C@@H](CC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C(C)C ZINC000821351913 606734900 /nfs/dbraw/zinc/73/49/00/606734900.db2.gz XCVQYOUGNFLORF-ZDUSSCGKSA-N -1 3 371.363 3.275 20 0 FGADHM CCO[C@@H](CC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C(C)C ZINC000821351913 606734902 /nfs/dbraw/zinc/73/49/02/606734902.db2.gz XCVQYOUGNFLORF-ZDUSSCGKSA-N -1 3 371.363 3.275 20 0 FGADHM CC(C)CC[C@H]1CCCCN1C(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000820073876 606748306 /nfs/dbraw/zinc/74/83/06/606748306.db2.gz WMUJGAPDMQYBMI-MRXNPFEDSA-N -1 3 357.458 3.063 20 0 FGADHM CC(C)CC[C@H]1CCCCN1C(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000820073876 606748307 /nfs/dbraw/zinc/74/83/07/606748307.db2.gz WMUJGAPDMQYBMI-MRXNPFEDSA-N -1 3 357.458 3.063 20 0 FGADHM C[C@@H](OC1CCCCCC1)C(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000820518492 606763710 /nfs/dbraw/zinc/76/37/10/606763710.db2.gz FRGRKQPQTYYHHM-GFCCVEGCSA-N -1 3 362.405 3.177 20 0 FGADHM C[C@@H](OC1CCCCCC1)C(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000820518492 606763711 /nfs/dbraw/zinc/76/37/11/606763711.db2.gz FRGRKQPQTYYHHM-GFCCVEGCSA-N -1 3 362.405 3.177 20 0 FGADHM CO[C@@H](C)c1nc(COc2cc(Cl)ccc2-c2nnn[n-]2)cs1 ZINC000821676032 606778982 /nfs/dbraw/zinc/77/89/82/606778982.db2.gz ZVNHGRQHZDAJDG-QMMMGPOBSA-N -1 3 351.819 3.263 20 0 FGADHM CO[C@@H](C)c1nc(COc2cc(Cl)ccc2-c2nn[n-]n2)cs1 ZINC000821676032 606778984 /nfs/dbraw/zinc/77/89/84/606778984.db2.gz ZVNHGRQHZDAJDG-QMMMGPOBSA-N -1 3 351.819 3.263 20 0 FGADHM CCC1(C(=O)N2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)CCCC1 ZINC000820943950 606790719 /nfs/dbraw/zinc/79/07/19/606790719.db2.gz DUENJYXRMBMMNS-UHFFFAOYSA-N -1 3 369.469 3.207 20 0 FGADHM CCC1(C(=O)N2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)CCCC1 ZINC000820943950 606790720 /nfs/dbraw/zinc/79/07/20/606790720.db2.gz DUENJYXRMBMMNS-UHFFFAOYSA-N -1 3 369.469 3.207 20 0 FGADHM O=C(OCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)[C@H]1CCSC1 ZINC000823418524 606798844 /nfs/dbraw/zinc/79/88/44/606798844.db2.gz RIZJOLORLYLZJH-HNNXBMFYSA-N -1 3 366.446 3.330 20 0 FGADHM O=C(OCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)[C@H]1CCSC1 ZINC000823418524 606798845 /nfs/dbraw/zinc/79/88/45/606798845.db2.gz RIZJOLORLYLZJH-HNNXBMFYSA-N -1 3 366.446 3.330 20 0 FGADHM CN(CC(F)F)C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821594869 606834276 /nfs/dbraw/zinc/83/42/76/606834276.db2.gz FESWRYCADCQJPF-UHFFFAOYSA-N -1 3 374.351 3.388 20 0 FGADHM CN(CC(F)F)C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821594869 606834278 /nfs/dbraw/zinc/83/42/78/606834278.db2.gz FESWRYCADCQJPF-UHFFFAOYSA-N -1 3 374.351 3.388 20 0 FGADHM Cc1ccc(-c2cncc(C(=O)NCc3cccc(-c4nnn[n-]4)c3)c2)cc1 ZINC000822213951 606861328 /nfs/dbraw/zinc/86/13/28/606861328.db2.gz ITHWRXNPDVSJDI-UHFFFAOYSA-N -1 3 370.416 3.167 20 0 FGADHM Cc1ccc(-c2cncc(C(=O)NCc3cccc(-c4nn[n-]n4)c3)c2)cc1 ZINC000822213951 606861330 /nfs/dbraw/zinc/86/13/30/606861330.db2.gz ITHWRXNPDVSJDI-UHFFFAOYSA-N -1 3 370.416 3.167 20 0 FGADHM CC(C)c1cnc(SCCCOc2cccc(-c3nnn[n-]3)c2)n1C ZINC000820198580 606867680 /nfs/dbraw/zinc/86/76/80/606867680.db2.gz ZLMCETOQAIRFMJ-UHFFFAOYSA-N -1 3 358.471 3.285 20 0 FGADHM CC(C)c1cnc(SCCCOc2cccc(-c3nn[n-]n3)c2)n1C ZINC000820198580 606867682 /nfs/dbraw/zinc/86/76/82/606867682.db2.gz ZLMCETOQAIRFMJ-UHFFFAOYSA-N -1 3 358.471 3.285 20 0 FGADHM O[C@@H](CSCCCOc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000823698259 606868082 /nfs/dbraw/zinc/86/80/82/606868082.db2.gz OXSAFAPZQAMZIU-KRWDZBQOSA-N -1 3 356.451 3.102 20 0 FGADHM O[C@@H](CSCCCOc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000823698259 606868083 /nfs/dbraw/zinc/86/80/83/606868083.db2.gz OXSAFAPZQAMZIU-KRWDZBQOSA-N -1 3 356.451 3.102 20 0 FGADHM Cc1cc(F)c(C(=O)O[C@@H](C)COc2cccc(-c3nnn[n-]3)c2)cc1F ZINC000822202191 606892449 /nfs/dbraw/zinc/89/24/49/606892449.db2.gz OPTCHZHAYQOTLC-NSHDSACASA-N -1 3 374.347 3.078 20 0 FGADHM Cc1cc(F)c(C(=O)O[C@@H](C)COc2cccc(-c3nn[n-]n3)c2)cc1F ZINC000822202191 606892451 /nfs/dbraw/zinc/89/24/51/606892451.db2.gz OPTCHZHAYQOTLC-NSHDSACASA-N -1 3 374.347 3.078 20 0 FGADHM CC(=O)Nc1ccc(Cl)cc1NCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000819818771 606928861 /nfs/dbraw/zinc/92/88/61/606928861.db2.gz VKPLCMGRGJPHQC-UHFFFAOYSA-N -1 3 360.780 3.230 20 0 FGADHM CC(=O)Nc1ccc(Cl)cc1NCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000819818771 606928863 /nfs/dbraw/zinc/92/88/63/606928863.db2.gz VKPLCMGRGJPHQC-UHFFFAOYSA-N -1 3 360.780 3.230 20 0 FGADHM CC(C)c1ccc(N(C)C(=O)COc2ccccc2-c2nnn[n-]2)cc1 ZINC000820192309 606936375 /nfs/dbraw/zinc/93/63/75/606936375.db2.gz JBBYYSQDIPIFNN-UHFFFAOYSA-N -1 3 351.410 3.032 20 0 FGADHM CC(C)c1ccc(N(C)C(=O)COc2ccccc2-c2nn[n-]n2)cc1 ZINC000820192309 606936379 /nfs/dbraw/zinc/93/63/79/606936379.db2.gz JBBYYSQDIPIFNN-UHFFFAOYSA-N -1 3 351.410 3.032 20 0 FGADHM Cc1ccccc1[C@H](O)CNc1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000822352433 606936568 /nfs/dbraw/zinc/93/65/68/606936568.db2.gz ZNZZIYQIQAMMSE-OAHLLOKOSA-N -1 3 363.343 3.339 20 0 FGADHM Cc1ccccc1[C@H](O)CNc1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000822352433 606936569 /nfs/dbraw/zinc/93/65/69/606936569.db2.gz ZNZZIYQIQAMMSE-OAHLLOKOSA-N -1 3 363.343 3.339 20 0 FGADHM CCc1nnc(NC[C@@H]2CCCO[C@@H]2C(C)(C)C)c(-c2nnn[n-]2)c1CC ZINC000821534654 606937048 /nfs/dbraw/zinc/93/70/48/606937048.db2.gz BPZHMUFYQVKAHU-LRDDRELGSA-N -1 3 373.505 3.035 20 0 FGADHM CCc1nnc(NC[C@@H]2CCCO[C@@H]2C(C)(C)C)c(-c2nn[n-]n2)c1CC ZINC000821534654 606937049 /nfs/dbraw/zinc/93/70/49/606937049.db2.gz BPZHMUFYQVKAHU-LRDDRELGSA-N -1 3 373.505 3.035 20 0 FGADHM FC(F)(F)c1ccc(N2CCO[C@@H](c3ccco3)C2)c(-c2nnn[n-]2)c1 ZINC000822723904 606943719 /nfs/dbraw/zinc/94/37/19/606943719.db2.gz SGNNXPPIYRMXBG-CQSZACIVSA-N -1 3 365.315 3.056 20 0 FGADHM FC(F)(F)c1ccc(N2CCO[C@@H](c3ccco3)C2)c(-c2nn[n-]n2)c1 ZINC000822723904 606943720 /nfs/dbraw/zinc/94/37/20/606943720.db2.gz SGNNXPPIYRMXBG-CQSZACIVSA-N -1 3 365.315 3.056 20 0 FGADHM Cc1nc(-c2ccncc2)nc(Sc2cccc(-c3nnn[n-]3)c2)c1C ZINC000822424530 606944883 /nfs/dbraw/zinc/94/48/83/606944883.db2.gz WTJLVNATXXYFCY-UHFFFAOYSA-N -1 3 361.434 3.487 20 0 FGADHM Cc1nc(-c2ccncc2)nc(Sc2cccc(-c3nn[n-]n3)c2)c1C ZINC000822424530 606944885 /nfs/dbraw/zinc/94/48/85/606944885.db2.gz WTJLVNATXXYFCY-UHFFFAOYSA-N -1 3 361.434 3.487 20 0 FGADHM COc1ccc(CNc2cc(-c3nnn[n-]3)c3ccccc3n2)c(F)c1 ZINC000821821728 606946945 /nfs/dbraw/zinc/94/69/45/606946945.db2.gz UDODIYKWFDZSCY-UHFFFAOYSA-N -1 3 350.357 3.175 20 0 FGADHM COc1ccc(CNc2cc(-c3nn[n-]n3)c3ccccc3n2)c(F)c1 ZINC000821821728 606946946 /nfs/dbraw/zinc/94/69/46/606946946.db2.gz UDODIYKWFDZSCY-UHFFFAOYSA-N -1 3 350.357 3.175 20 0 FGADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)OC/C(Cl)=C/Cl ZINC000822955466 606948868 /nfs/dbraw/zinc/94/88/68/606948868.db2.gz WAKFNMZYSYYONQ-XFXZXTDPSA-N -1 3 371.224 3.278 20 0 FGADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)OC/C(Cl)=C/Cl ZINC000822955466 606948869 /nfs/dbraw/zinc/94/88/69/606948869.db2.gz WAKFNMZYSYYONQ-XFXZXTDPSA-N -1 3 371.224 3.278 20 0 FGADHM Cc1cccc([C@@H](C)OC(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)c1 ZINC000737387438 606952758 /nfs/dbraw/zinc/95/27/58/606952758.db2.gz ILYCATBWJVJEPA-ZIAGYGMSSA-N -1 3 352.394 3.247 20 0 FGADHM Cc1cccc([C@@H](C)OC(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)c1 ZINC000737387438 606952759 /nfs/dbraw/zinc/95/27/59/606952759.db2.gz ILYCATBWJVJEPA-ZIAGYGMSSA-N -1 3 352.394 3.247 20 0 FGADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2ccn(C3CCCC3)n2)s1 ZINC000821465467 606957053 /nfs/dbraw/zinc/95/70/53/606957053.db2.gz IJPUBMZFNOXOJL-UHFFFAOYSA-N -1 3 357.443 3.055 20 0 FGADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2ccn(C3CCCC3)n2)s1 ZINC000821465467 606957055 /nfs/dbraw/zinc/95/70/55/606957055.db2.gz IJPUBMZFNOXOJL-UHFFFAOYSA-N -1 3 357.443 3.055 20 0 FGADHM CCCC1(CNC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)CCC1 ZINC000821034648 606958322 /nfs/dbraw/zinc/95/83/22/606958322.db2.gz QQQCWIFSZHQMLS-UHFFFAOYSA-N -1 3 359.499 3.187 20 0 FGADHM CCCC1(CNC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)CCC1 ZINC000821034648 606958324 /nfs/dbraw/zinc/95/83/24/606958324.db2.gz QQQCWIFSZHQMLS-UHFFFAOYSA-N -1 3 359.499 3.187 20 0 FGADHM CCCc1ncc(C(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)s1 ZINC000821143377 606962437 /nfs/dbraw/zinc/96/24/37/606962437.db2.gz UEDKOLXFQKNUCE-UHFFFAOYSA-N -1 3 362.846 3.206 20 0 FGADHM CCCc1ncc(C(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)s1 ZINC000821143377 606962438 /nfs/dbraw/zinc/96/24/38/606962438.db2.gz UEDKOLXFQKNUCE-UHFFFAOYSA-N -1 3 362.846 3.206 20 0 FGADHM CN(C(=O)[C@@H]1C[C@H]1Cc1ccccc1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821569206 606962449 /nfs/dbraw/zinc/96/24/49/606962449.db2.gz BUYDBAUXAIVYPZ-CZUORRHYSA-N -1 3 367.840 3.362 20 0 FGADHM CN(C(=O)[C@@H]1C[C@H]1Cc1ccccc1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821569206 606962450 /nfs/dbraw/zinc/96/24/50/606962450.db2.gz BUYDBAUXAIVYPZ-CZUORRHYSA-N -1 3 367.840 3.362 20 0 FGADHM CN(C(=O)CCc1ccccc1F)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821569470 606964964 /nfs/dbraw/zinc/96/49/64/606964964.db2.gz LFIBZHUZLPCGNW-UHFFFAOYSA-N -1 3 359.792 3.255 20 0 FGADHM CN(C(=O)CCc1ccccc1F)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821569470 606964965 /nfs/dbraw/zinc/96/49/65/606964965.db2.gz LFIBZHUZLPCGNW-UHFFFAOYSA-N -1 3 359.792 3.255 20 0 FGADHM CN(C(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccccc1-c1nnn[n-]1 ZINC000821569656 606970886 /nfs/dbraw/zinc/97/08/86/606970886.db2.gz RFUNOBNSCLLMJE-WDEREUQCSA-N -1 3 353.348 3.198 20 0 FGADHM CN(C(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccccc1-c1nn[n-]n1 ZINC000821569656 606970887 /nfs/dbraw/zinc/97/08/87/606970887.db2.gz RFUNOBNSCLLMJE-WDEREUQCSA-N -1 3 353.348 3.198 20 0 FGADHM Cc1ccc(C)c(SCC(=O)N(C)c2ccccc2-c2nnn[n-]2)c1 ZINC000822231641 606974660 /nfs/dbraw/zinc/97/46/60/606974660.db2.gz BMVGTVTYOWNAMJ-UHFFFAOYSA-N -1 3 353.451 3.239 20 0 FGADHM Cc1ccc(C)c(SCC(=O)N(C)c2ccccc2-c2nn[n-]n2)c1 ZINC000822231641 606974662 /nfs/dbraw/zinc/97/46/62/606974662.db2.gz BMVGTVTYOWNAMJ-UHFFFAOYSA-N -1 3 353.451 3.239 20 0 FGADHM Cc1cccc([C@@H]2CCCN2C(=S)Nc2ccccc2-c2nnn[n-]2)n1 ZINC000822299585 606979036 /nfs/dbraw/zinc/97/90/36/606979036.db2.gz NRIBQCVVAUXZJN-INIZCTEOSA-N -1 3 365.466 3.104 20 0 FGADHM Cc1cccc([C@@H]2CCCN2C(=S)Nc2ccccc2-c2nn[n-]n2)n1 ZINC000822299585 606979037 /nfs/dbraw/zinc/97/90/37/606979037.db2.gz NRIBQCVVAUXZJN-INIZCTEOSA-N -1 3 365.466 3.104 20 0 FGADHM C[C@@H]1c2cc(F)cc(F)c2CCN1Cc1ccc(-c2nnn[n-]2)cc1F ZINC000820821401 606982058 /nfs/dbraw/zinc/98/20/58/606982058.db2.gz SRQSXYQDEHEDLE-SNVBAGLBSA-N -1 3 359.355 3.403 20 0 FGADHM C[C@@H]1c2cc(F)cc(F)c2CCN1Cc1ccc(-c2nn[n-]n2)cc1F ZINC000820821401 606982059 /nfs/dbraw/zinc/98/20/59/606982059.db2.gz SRQSXYQDEHEDLE-SNVBAGLBSA-N -1 3 359.355 3.403 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)c1c(F)cccc1Cl ZINC000823422180 606990914 /nfs/dbraw/zinc/99/09/14/606990914.db2.gz PZYJKMTZMWNDMQ-UHFFFAOYSA-N -1 3 350.712 3.155 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)c1c(F)cccc1Cl ZINC000823422180 606990915 /nfs/dbraw/zinc/99/09/15/606990915.db2.gz PZYJKMTZMWNDMQ-UHFFFAOYSA-N -1 3 350.712 3.155 20 0 FGADHM CC(=CC(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC000819764859 606995981 /nfs/dbraw/zinc/99/59/81/606995981.db2.gz LOQZFRAZNPGPEV-FLIBITNWSA-N -1 3 356.332 3.292 20 0 FGADHM CC(=CC(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC000819764859 606995982 /nfs/dbraw/zinc/99/59/82/606995982.db2.gz LOQZFRAZNPGPEV-FLIBITNWSA-N -1 3 356.332 3.292 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000823421648 606996301 /nfs/dbraw/zinc/99/63/01/606996301.db2.gz FNRRSGGOOPJUGM-QWRGUYRKSA-N -1 3 372.322 3.418 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000823421648 606996303 /nfs/dbraw/zinc/99/63/03/606996303.db2.gz FNRRSGGOOPJUGM-QWRGUYRKSA-N -1 3 372.322 3.418 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000823421647 606996427 /nfs/dbraw/zinc/99/64/27/606996427.db2.gz FNRRSGGOOPJUGM-MNOVXSKESA-N -1 3 372.322 3.418 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000823421647 606996428 /nfs/dbraw/zinc/99/64/28/606996428.db2.gz FNRRSGGOOPJUGM-MNOVXSKESA-N -1 3 372.322 3.418 20 0 FGADHM O=C(C[C@H]1CCOc2ccccc21)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822946555 607000702 /nfs/dbraw/zinc/00/07/02/607000702.db2.gz YKGLUSGWYDVHHI-CYBMUJFWSA-N -1 3 368.368 3.005 20 0 FGADHM O=C(C[C@H]1CCOc2ccccc21)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822946555 607000704 /nfs/dbraw/zinc/00/07/04/607000704.db2.gz YKGLUSGWYDVHHI-CYBMUJFWSA-N -1 3 368.368 3.005 20 0 FGADHM Fc1ccc(OCc2ccc(F)c(-c3nnn[n-]3)c2)c(Br)c1 ZINC000822783149 607007636 /nfs/dbraw/zinc/00/76/36/607007636.db2.gz XJFZXXJTASATQC-UHFFFAOYSA-N -1 3 367.153 3.486 20 0 FGADHM Fc1ccc(OCc2ccc(F)c(-c3nn[n-]n3)c2)c(Br)c1 ZINC000822783149 607007637 /nfs/dbraw/zinc/00/76/37/607007637.db2.gz XJFZXXJTASATQC-UHFFFAOYSA-N -1 3 367.153 3.486 20 0 FGADHM CC[C@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccc(OC)cc1 ZINC000820938718 607015180 /nfs/dbraw/zinc/01/51/80/607015180.db2.gz MMLQCVRAYMDBNO-INIZCTEOSA-N -1 3 369.450 3.385 20 0 FGADHM CC[C@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccc(OC)cc1 ZINC000820938718 607015181 /nfs/dbraw/zinc/01/51/81/607015181.db2.gz MMLQCVRAYMDBNO-INIZCTEOSA-N -1 3 369.450 3.385 20 0 FGADHM CC(C)CN(C(=O)C[C@H](C)c1ccncc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820081798 607017897 /nfs/dbraw/zinc/01/78/97/607017897.db2.gz WDPZXPOJAYPEFD-HNNXBMFYSA-N -1 3 364.453 3.445 20 0 FGADHM CC(C)CN(C(=O)C[C@H](C)c1ccncc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820081798 607017898 /nfs/dbraw/zinc/01/78/98/607017898.db2.gz WDPZXPOJAYPEFD-HNNXBMFYSA-N -1 3 364.453 3.445 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1OCC(=O)Nc1ccccc1C(C)C ZINC000822221220 607028082 /nfs/dbraw/zinc/02/80/82/607028082.db2.gz FYTBYHDOSKYBLD-UHFFFAOYSA-N -1 3 351.410 3.316 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1OCC(=O)Nc1ccccc1C(C)C ZINC000822221220 607028083 /nfs/dbraw/zinc/02/80/83/607028083.db2.gz FYTBYHDOSKYBLD-UHFFFAOYSA-N -1 3 351.410 3.316 20 0 FGADHM CCc1cccc(CC)c1NC(=O)COc1cc(-c2nnn[n-]2)ccc1C ZINC000821492915 607030699 /nfs/dbraw/zinc/03/06/99/607030699.db2.gz ZHNWIHRDISHTIE-UHFFFAOYSA-N -1 3 365.437 3.317 20 0 FGADHM CCc1cccc(CC)c1NC(=O)COc1cc(-c2nn[n-]n2)ccc1C ZINC000821492915 607030700 /nfs/dbraw/zinc/03/07/00/607030700.db2.gz ZHNWIHRDISHTIE-UHFFFAOYSA-N -1 3 365.437 3.317 20 0 FGADHM C[C@@H]1CC[C@@H](CC(=O)N2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)C1 ZINC000820683868 607036454 /nfs/dbraw/zinc/03/64/54/607036454.db2.gz INUSXRHZLJNEHV-HUUCEWRRSA-N -1 3 369.469 3.063 20 0 FGADHM C[C@@H]1CC[C@@H](CC(=O)N2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)C1 ZINC000820683868 607036456 /nfs/dbraw/zinc/03/64/56/607036456.db2.gz INUSXRHZLJNEHV-HUUCEWRRSA-N -1 3 369.469 3.063 20 0 FGADHM C[C@@H](CCC(C)(C)C)NC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000820243104 607037819 /nfs/dbraw/zinc/03/78/19/607037819.db2.gz VLTHTKIDGRYQGK-ZDUSSCGKSA-N -1 3 359.474 3.355 20 0 FGADHM C[C@@H](CCC(C)(C)C)NC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000820243104 607037820 /nfs/dbraw/zinc/03/78/20/607037820.db2.gz VLTHTKIDGRYQGK-ZDUSSCGKSA-N -1 3 359.474 3.355 20 0 FGADHM Fc1ccc(-c2nnn[n-]2)c(COc2c(F)c(F)c(F)c(F)c2F)c1 ZINC000822757702 607039988 /nfs/dbraw/zinc/03/99/88/607039988.db2.gz DRKUNBZMBGMCEK-UHFFFAOYSA-N -1 3 360.217 3.280 20 0 FGADHM Fc1ccc(-c2nn[n-]n2)c(COc2c(F)c(F)c(F)c(F)c2F)c1 ZINC000822757702 607039989 /nfs/dbraw/zinc/03/99/89/607039989.db2.gz DRKUNBZMBGMCEK-UHFFFAOYSA-N -1 3 360.217 3.280 20 0 FGADHM CC(C)C[C@H]1CCCN(C(=O)CSc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820067174 607052495 /nfs/dbraw/zinc/05/24/95/607052495.db2.gz FIORCXGTSONYNF-CQSZACIVSA-N -1 3 359.499 3.244 20 0 FGADHM CC(C)C[C@H]1CCCN(C(=O)CSc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820067174 607052496 /nfs/dbraw/zinc/05/24/96/607052496.db2.gz FIORCXGTSONYNF-CQSZACIVSA-N -1 3 359.499 3.244 20 0 FGADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)C[C@H]1CC[C@H](C)C1 ZINC000821699404 607052835 /nfs/dbraw/zinc/05/28/35/607052835.db2.gz OVODPOXXBQPUNW-UWVGGRQHSA-N -1 3 350.806 3.260 20 0 FGADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)C[C@H]1CC[C@H](C)C1 ZINC000821699404 607052837 /nfs/dbraw/zinc/05/28/37/607052837.db2.gz OVODPOXXBQPUNW-UWVGGRQHSA-N -1 3 350.806 3.260 20 0 FGADHM CC(C)c1ccccc1OCC(=O)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000820198515 607073699 /nfs/dbraw/zinc/07/36/99/607073699.db2.gz YTJZLGJOCKKGRV-UHFFFAOYSA-N -1 3 370.384 3.251 20 0 FGADHM CC(C)c1ccccc1OCC(=O)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000820198515 607073701 /nfs/dbraw/zinc/07/37/01/607073701.db2.gz YTJZLGJOCKKGRV-UHFFFAOYSA-N -1 3 370.384 3.251 20 0 FGADHM COc1cccc([C@H]2CN([C@@H](C)c3ccc(-c4nn[n-]n4)cc3)CCO2)c1 ZINC000821862606 607076185 /nfs/dbraw/zinc/07/61/85/607076185.db2.gz DEINFEDYMZYGAU-IFXJQAMLSA-N -1 3 365.437 3.010 20 0 FGADHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)c1ccc(Cl)cc1F ZINC000823418951 607076916 /nfs/dbraw/zinc/07/69/16/607076916.db2.gz ZOAASCAJMZGIRQ-UHFFFAOYSA-N -1 3 350.712 3.155 20 0 FGADHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)c1ccc(Cl)cc1F ZINC000823418951 607076918 /nfs/dbraw/zinc/07/69/18/607076918.db2.gz ZOAASCAJMZGIRQ-UHFFFAOYSA-N -1 3 350.712 3.155 20 0 FGADHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)c1csc(-c2ccoc2)n1 ZINC000823417834 607083239 /nfs/dbraw/zinc/08/32/39/607083239.db2.gz KITCVPARENTAFR-UHFFFAOYSA-N -1 3 371.353 3.079 20 0 FGADHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)c1csc(-c2ccoc2)n1 ZINC000823417834 607083241 /nfs/dbraw/zinc/08/32/41/607083241.db2.gz KITCVPARENTAFR-UHFFFAOYSA-N -1 3 371.353 3.079 20 0 FGADHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)[C@H]1CCSc2ccccc21 ZINC000823413584 607085990 /nfs/dbraw/zinc/08/59/90/607085990.db2.gz KHQJTRLFALKPHC-HNNXBMFYSA-N -1 3 370.409 3.329 20 0 FGADHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)[C@H]1CCSc2ccccc21 ZINC000823413584 607085992 /nfs/dbraw/zinc/08/59/92/607085992.db2.gz KHQJTRLFALKPHC-HNNXBMFYSA-N -1 3 370.409 3.329 20 0 FGADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC000821294700 607098303 /nfs/dbraw/zinc/09/83/03/607098303.db2.gz XNGAQPZLRMEMMX-CABCVRRESA-N -1 3 366.400 3.180 20 0 FGADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)C=Cc1cccc(F)c1 ZINC000821293628 607100253 /nfs/dbraw/zinc/10/02/53/607100253.db2.gz MIRIJMIKPQNTIY-TWGQIWQCSA-N -1 3 352.373 3.090 20 0 FGADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(-n2cccc2)cc1 ZINC000821304533 607102055 /nfs/dbraw/zinc/10/20/55/607102055.db2.gz JOCLGSPDAHGWAY-UHFFFAOYSA-N -1 3 373.420 3.342 20 0 FGADHM C[C@@]1(c2ccccc2)CN(c2cc(-c3nnn[n-]3)c3ccccc3n2)CCO1 ZINC000820633851 607115211 /nfs/dbraw/zinc/11/52/11/607115211.db2.gz DXKJWPORANZQLO-NRFANRHFSA-N -1 3 372.432 3.167 20 0 FGADHM C[C@@]1(c2ccccc2)CN(c2cc(-c3nn[n-]n3)c3ccccc3n2)CCO1 ZINC000820633851 607115212 /nfs/dbraw/zinc/11/52/12/607115212.db2.gz DXKJWPORANZQLO-NRFANRHFSA-N -1 3 372.432 3.167 20 0 FGADHM CCCOc1cc(F)ccc1NC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000821128438 607117922 /nfs/dbraw/zinc/11/79/22/607117922.db2.gz UEAAWUIMVNXKDC-UHFFFAOYSA-N -1 3 356.361 3.439 20 0 FGADHM CCCOc1cc(F)ccc1NC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000821128438 607117924 /nfs/dbraw/zinc/11/79/24/607117924.db2.gz UEAAWUIMVNXKDC-UHFFFAOYSA-N -1 3 356.361 3.439 20 0 FGADHM C[C@@H]1CN(Cc2cc(-c3nnn[n-]3)ccc2F)C[C@H](c2ccsc2)O1 ZINC000820759563 607122533 /nfs/dbraw/zinc/12/25/33/607122533.db2.gz LSTQRMWDQBXWMW-BDJLRTHQSA-N -1 3 359.430 3.029 20 0 FGADHM C[C@@H]1CN(Cc2cc(-c3nn[n-]n3)ccc2F)C[C@H](c2ccsc2)O1 ZINC000820759563 607122535 /nfs/dbraw/zinc/12/25/35/607122535.db2.gz LSTQRMWDQBXWMW-BDJLRTHQSA-N -1 3 359.430 3.029 20 0 FGADHM C[C@H]1CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C[C@@H](c2ccsc2)O1 ZINC000820759342 607122636 /nfs/dbraw/zinc/12/26/36/607122636.db2.gz JLWILNUMBYUESY-ZBEGNZNMSA-N -1 3 359.430 3.029 20 0 FGADHM C[C@H]1CN(Cc2ccc(F)c(-c3nn[n-]n3)c2)C[C@@H](c2ccsc2)O1 ZINC000820759342 607122637 /nfs/dbraw/zinc/12/26/37/607122637.db2.gz JLWILNUMBYUESY-ZBEGNZNMSA-N -1 3 359.430 3.029 20 0 FGADHM Fc1cc(-c2nnn[n-]2)ccc1CNc1ccn(-c2ccccc2Cl)n1 ZINC000822744673 607126520 /nfs/dbraw/zinc/12/65/20/607126520.db2.gz ZNBMUIIEJQCEME-UHFFFAOYSA-N -1 3 369.791 3.457 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1CNc1ccn(-c2ccccc2Cl)n1 ZINC000822744673 607126522 /nfs/dbraw/zinc/12/65/22/607126522.db2.gz ZNBMUIIEJQCEME-UHFFFAOYSA-N -1 3 369.791 3.457 20 0 FGADHM CCCC1(CNC(=O)c2cc(C3CC3)nc(SC)c2-c2nnn[n-]2)CC1 ZINC000821034351 607131801 /nfs/dbraw/zinc/13/18/01/607131801.db2.gz KTYURNFOQHJPFP-UHFFFAOYSA-N -1 3 372.498 3.171 20 0 FGADHM CCCn1nc(C)c(C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1C ZINC000821147833 607132072 /nfs/dbraw/zinc/13/20/72/607132072.db2.gz JVDQAAKYKZORBB-ZDUSSCGKSA-N -1 3 354.414 3.008 20 0 FGADHM CCCn1nc(C)c(C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000821147833 607132074 /nfs/dbraw/zinc/13/20/74/607132074.db2.gz JVDQAAKYKZORBB-ZDUSSCGKSA-N -1 3 354.414 3.008 20 0 FGADHM CSc1ccc(NC(=O)[C@H](C)Oc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000821984330 607136335 /nfs/dbraw/zinc/13/63/35/607136335.db2.gz MZAXOVDOHSENND-JTQLQIEISA-N -1 3 373.413 3.134 20 0 FGADHM CSc1ccc(NC(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000821984330 607136336 /nfs/dbraw/zinc/13/63/36/607136336.db2.gz MZAXOVDOHSENND-JTQLQIEISA-N -1 3 373.413 3.134 20 0 FGADHM Cc1cc(C)c(-c2nnn[n-]2)c(SCc2nc(-c3cccs3)n[nH]2)n1 ZINC000822192819 607142129 /nfs/dbraw/zinc/14/21/29/607142129.db2.gz BYWPISGNJGJPLO-UHFFFAOYSA-N -1 3 370.467 3.017 20 0 FGADHM Cc1cc(C)c(-c2nn[n-]n2)c(SCc2nc(-c3cccs3)n[nH]2)n1 ZINC000822192819 607142130 /nfs/dbraw/zinc/14/21/30/607142130.db2.gz BYWPISGNJGJPLO-UHFFFAOYSA-N -1 3 370.467 3.017 20 0 FGADHM CCOCCC1(CNC(=S)Nc2ccccc2-c2nnn[n-]2)CCCC1 ZINC000821374245 607150201 /nfs/dbraw/zinc/15/02/01/607150201.db2.gz SLPISMLTBYDBKS-UHFFFAOYSA-N -1 3 374.514 3.140 20 0 FGADHM CCOCCC1(CNC(=S)Nc2ccccc2-c2nn[n-]n2)CCCC1 ZINC000821374245 607150202 /nfs/dbraw/zinc/15/02/02/607150202.db2.gz SLPISMLTBYDBKS-UHFFFAOYSA-N -1 3 374.514 3.140 20 0 FGADHM CC(C)n1cc2ccc(NC(=O)c3sccc3-c3nnn[n-]3)cc2n1 ZINC000820214672 607156412 /nfs/dbraw/zinc/15/64/12/607156412.db2.gz MCJVRQXCTBDLNN-UHFFFAOYSA-N -1 3 353.411 3.111 20 0 FGADHM CC(C)n1cc2ccc(NC(=O)c3sccc3-c3nn[n-]n3)cc2n1 ZINC000820214672 607156413 /nfs/dbraw/zinc/15/64/13/607156413.db2.gz MCJVRQXCTBDLNN-UHFFFAOYSA-N -1 3 353.411 3.111 20 0 FGADHM CC(C)[C@@H](Sc1ccc(-c2nnn[n-]2)cc1)C(=O)NC1CCCCC1 ZINC000820033320 607162334 /nfs/dbraw/zinc/16/23/34/607162334.db2.gz UDBQBDLXGNUQAN-MRXNPFEDSA-N -1 3 359.499 3.432 20 0 FGADHM CC(C)[C@@H](Sc1ccc(-c2nn[n-]n2)cc1)C(=O)NC1CCCCC1 ZINC000820033320 607162336 /nfs/dbraw/zinc/16/23/36/607162336.db2.gz UDBQBDLXGNUQAN-MRXNPFEDSA-N -1 3 359.499 3.432 20 0 FGADHM Fc1cc(Cl)ccc1NCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000822748102 607164729 /nfs/dbraw/zinc/16/47/29/607164729.db2.gz HWUZTOULYHXLCE-UHFFFAOYSA-N -1 3 371.763 3.321 20 0 FGADHM Fc1cc(Cl)ccc1NCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822748102 607164730 /nfs/dbraw/zinc/16/47/30/607164730.db2.gz HWUZTOULYHXLCE-UHFFFAOYSA-N -1 3 371.763 3.321 20 0 FGADHM Cc1cc(C(=O)COc2ccc(-c3nnn[n-]3)cc2F)c(Cl)cc1F ZINC000822167769 607171491 /nfs/dbraw/zinc/17/14/91/607171491.db2.gz ILXLNWWDLSOQOA-UHFFFAOYSA-N -1 3 364.739 3.368 20 0 FGADHM Cc1cc(C(=O)COc2ccc(-c3nn[n-]n3)cc2F)c(Cl)cc1F ZINC000822167769 607171492 /nfs/dbraw/zinc/17/14/92/607171492.db2.gz ILXLNWWDLSOQOA-UHFFFAOYSA-N -1 3 364.739 3.368 20 0 FGADHM Fc1cc(-c2nnn[n-]2)ccc1OCc1c(F)c(F)c(F)c(F)c1F ZINC000822748333 607171646 /nfs/dbraw/zinc/17/16/46/607171646.db2.gz UNTCDTFZRJWTKR-UHFFFAOYSA-N -1 3 360.217 3.280 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1OCc1c(F)c(F)c(F)c(F)c1F ZINC000822748333 607171647 /nfs/dbraw/zinc/17/16/47/607171647.db2.gz UNTCDTFZRJWTKR-UHFFFAOYSA-N -1 3 360.217 3.280 20 0 FGADHM c1cncc(-c2nc3c(c(Sc4cccc(-c5nnn[n-]5)c4)n2)CCC3)c1 ZINC000823816276 607175107 /nfs/dbraw/zinc/17/51/07/607175107.db2.gz RXEBNABBHQNHHJ-UHFFFAOYSA-N -1 3 373.445 3.359 20 0 FGADHM c1cncc(-c2nc3c(c(Sc4cccc(-c5nn[n-]n5)c4)n2)CCC3)c1 ZINC000823816276 607175108 /nfs/dbraw/zinc/17/51/08/607175108.db2.gz RXEBNABBHQNHHJ-UHFFFAOYSA-N -1 3 373.445 3.359 20 0 FGADHM CCc1ccc(OCC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000821486828 607190581 /nfs/dbraw/zinc/19/05/81/607190581.db2.gz NPNXJFMVMCOOBY-UHFFFAOYSA-N -1 3 357.801 3.100 20 0 FGADHM CCc1ccc(OCC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000821486828 607190582 /nfs/dbraw/zinc/19/05/82/607190582.db2.gz NPNXJFMVMCOOBY-UHFFFAOYSA-N -1 3 357.801 3.100 20 0 FGADHM CCOc1ccc(CCC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000821417213 607191515 /nfs/dbraw/zinc/19/15/15/607191515.db2.gz JKJPPQZBBLXAQB-UHFFFAOYSA-N -1 3 371.828 3.490 20 0 FGADHM CCOc1ccc(CCC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000821417213 607191516 /nfs/dbraw/zinc/19/15/16/607191516.db2.gz JKJPPQZBBLXAQB-UHFFFAOYSA-N -1 3 371.828 3.490 20 0 FGADHM Cn1cccc1[C@H]1CCCN1C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000822693647 607202882 /nfs/dbraw/zinc/20/28/82/607202882.db2.gz IPXVSQMPDLEBEO-OAHLLOKOSA-N -1 3 371.832 3.228 20 0 FGADHM Cn1cccc1[C@H]1CCCN1C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822693647 607202883 /nfs/dbraw/zinc/20/28/83/607202883.db2.gz IPXVSQMPDLEBEO-OAHLLOKOSA-N -1 3 371.832 3.228 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N[C@@H]1CCOc2ccccc21 ZINC000823319415 607203086 /nfs/dbraw/zinc/20/30/86/607203086.db2.gz UZLHFYHDDMJNQM-CYBMUJFWSA-N -1 3 370.800 3.165 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N[C@@H]1CCOc2ccccc21 ZINC000823319415 607203087 /nfs/dbraw/zinc/20/30/87/607203087.db2.gz UZLHFYHDDMJNQM-CYBMUJFWSA-N -1 3 370.800 3.165 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N1CC[C@H](c2ccco2)C1 ZINC000823314177 607203107 /nfs/dbraw/zinc/20/31/07/607203107.db2.gz NLPFWXANCGPNML-NSHDSACASA-N -1 3 358.789 3.135 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N1CC[C@H](c2ccco2)C1 ZINC000823314177 607203108 /nfs/dbraw/zinc/20/31/08/607203108.db2.gz NLPFWXANCGPNML-NSHDSACASA-N -1 3 358.789 3.135 20 0 FGADHM CC(C)CC[C@@H]1CCCN1C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000820072124 607206469 /nfs/dbraw/zinc/20/64/69/607206469.db2.gz CCNQZDIQOVWICO-HNNXBMFYSA-N -1 3 360.437 3.116 20 0 FGADHM CC(C)CC[C@@H]1CCCN1C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000820072124 607206470 /nfs/dbraw/zinc/20/64/70/607206470.db2.gz CCNQZDIQOVWICO-HNNXBMFYSA-N -1 3 360.437 3.116 20 0 FGADHM COCCN(C(=O)C1CCC(C)(C)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000821688585 607238840 /nfs/dbraw/zinc/23/88/40/607238840.db2.gz QSRHXWLAZMAEQH-UHFFFAOYSA-N -1 3 357.458 3.063 20 0 FGADHM COCCN(C(=O)C1CCC(C)(C)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000821688585 607238841 /nfs/dbraw/zinc/23/88/41/607238841.db2.gz QSRHXWLAZMAEQH-UHFFFAOYSA-N -1 3 357.458 3.063 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)[C@H]1C[C@H]1Cc1ccccc1 ZINC000823314165 607242652 /nfs/dbraw/zinc/24/26/52/607242652.db2.gz NEZAJFWOBCFWTN-KGLIPLIRSA-N -1 3 353.813 3.337 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)[C@H]1C[C@H]1Cc1ccccc1 ZINC000823314165 607242653 /nfs/dbraw/zinc/24/26/53/607242653.db2.gz NEZAJFWOBCFWTN-KGLIPLIRSA-N -1 3 353.813 3.337 20 0 FGADHM CC[C@H](Sc1ccccc1)C(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000820939566 607246832 /nfs/dbraw/zinc/24/68/32/607246832.db2.gz WKXMPNWZYGKRLY-HNNXBMFYSA-N -1 3 358.398 3.482 20 0 FGADHM CC[C@H](Sc1ccccc1)C(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000820939566 607246833 /nfs/dbraw/zinc/24/68/33/607246833.db2.gz WKXMPNWZYGKRLY-HNNXBMFYSA-N -1 3 358.398 3.482 20 0 FGADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)C1(c2cccc(Cl)c2)CC1 ZINC000823451643 607247481 /nfs/dbraw/zinc/24/74/81/607247481.db2.gz XHIMENGPTDHATG-UHFFFAOYSA-N -1 3 358.760 3.296 20 0 FGADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)C1(c2cccc(Cl)c2)CC1 ZINC000823451643 607247482 /nfs/dbraw/zinc/24/74/82/607247482.db2.gz XHIMENGPTDHATG-UHFFFAOYSA-N -1 3 358.760 3.296 20 0 FGADHM CC(C)c1ccccc1OCCC(=O)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000824353088 607785133 /nfs/dbraw/zinc/78/51/33/607785133.db2.gz XKCXMODTVOFHKN-UHFFFAOYSA-N -1 3 365.437 3.422 20 0 FGADHM CC(C)c1ccccc1OCCC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000824353088 607785134 /nfs/dbraw/zinc/78/51/34/607785134.db2.gz XKCXMODTVOFHKN-UHFFFAOYSA-N -1 3 365.437 3.422 20 0 FGADHM Fc1ccc(-c2nnn[n-]2)cc1CSCc1nc(C2CCCC2)no1 ZINC000826373329 607786015 /nfs/dbraw/zinc/78/60/15/607786015.db2.gz IIEHMHVHNGOXHP-UHFFFAOYSA-N -1 3 360.418 3.480 20 0 FGADHM Fc1ccc(-c2nn[n-]n2)cc1CSCc1nc(C2CCCC2)no1 ZINC000826373329 607786016 /nfs/dbraw/zinc/78/60/16/607786016.db2.gz IIEHMHVHNGOXHP-UHFFFAOYSA-N -1 3 360.418 3.480 20 0 FGADHM CN(C(=O)[C@H]1CCSc2ccccc21)c1ccccc1-c1nnn[n-]1 ZINC000825812955 607787154 /nfs/dbraw/zinc/78/71/54/607787154.db2.gz YREDFSZOPYYSLW-ZDUSSCGKSA-N -1 3 351.435 3.109 20 0 FGADHM CN(C(=O)[C@H]1CCSc2ccccc21)c1ccccc1-c1nn[n-]n1 ZINC000825812955 607787155 /nfs/dbraw/zinc/78/71/55/607787155.db2.gz YREDFSZOPYYSLW-ZDUSSCGKSA-N -1 3 351.435 3.109 20 0 FGADHM CN(C(=O)Cc1ccccc1C(F)(F)F)c1ccccc1-c1nnn[n-]1 ZINC000825820385 607787302 /nfs/dbraw/zinc/78/73/02/607787302.db2.gz CIUORUIBPQEJCZ-UHFFFAOYSA-N -1 3 361.327 3.091 20 0 FGADHM CN(C(=O)Cc1ccccc1C(F)(F)F)c1ccccc1-c1nn[n-]n1 ZINC000825820385 607787303 /nfs/dbraw/zinc/78/73/03/607787303.db2.gz CIUORUIBPQEJCZ-UHFFFAOYSA-N -1 3 361.327 3.091 20 0 FGADHM CCc1cccc2c(CC(=O)N(C)c3ccccc3-c3nnn[n-]3)c[nH]c21 ZINC000825722968 607789546 /nfs/dbraw/zinc/78/95/46/607789546.db2.gz PFRFMRMMMLPACV-UHFFFAOYSA-N -1 3 360.421 3.116 20 0 FGADHM CCc1cccc2c(CC(=O)N(C)c3ccccc3-c3nn[n-]n3)c[nH]c21 ZINC000825722968 607789547 /nfs/dbraw/zinc/78/95/47/607789547.db2.gz PFRFMRMMMLPACV-UHFFFAOYSA-N -1 3 360.421 3.116 20 0 FGADHM CCN(C(=O)c1cc2cccc(OC)c2o1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825379202 607795673 /nfs/dbraw/zinc/79/56/73/607795673.db2.gz CJTKTVJXEABVDL-UHFFFAOYSA-N -1 3 363.377 3.288 20 0 FGADHM CCN(C(=O)c1cc2cccc(OC)c2o1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825379202 607795674 /nfs/dbraw/zinc/79/56/74/607795674.db2.gz CJTKTVJXEABVDL-UHFFFAOYSA-N -1 3 363.377 3.288 20 0 FGADHM CCN(C(=O)[C@@H](C)c1cccc(OC)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825366503 607798066 /nfs/dbraw/zinc/79/80/66/607798066.db2.gz ATKUJMBXKPBHEE-ZDUSSCGKSA-N -1 3 351.410 3.032 20 0 FGADHM CCN(C(=O)[C@@H](C)c1cccc(OC)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825366503 607798067 /nfs/dbraw/zinc/79/80/67/607798067.db2.gz ATKUJMBXKPBHEE-ZDUSSCGKSA-N -1 3 351.410 3.032 20 0 FGADHM CCN(C(=O)c1c(F)c(F)cc(F)c1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000825377240 607798471 /nfs/dbraw/zinc/79/84/71/607798471.db2.gz YOTZFDOWUHGHCJ-UHFFFAOYSA-N -1 3 365.290 3.090 20 0 FGADHM CCN(C(=O)c1c(F)c(F)cc(F)c1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000825377240 607798472 /nfs/dbraw/zinc/79/84/72/607798472.db2.gz YOTZFDOWUHGHCJ-UHFFFAOYSA-N -1 3 365.290 3.090 20 0 FGADHM CC(C)(C)O[C@H](C(=O)OCc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000824119687 607826793 /nfs/dbraw/zinc/82/67/93/607826793.db2.gz OEPMVAACQCMUFG-KRWDZBQOSA-N -1 3 366.421 3.466 20 0 FGADHM CC(C)(C)O[C@H](C(=O)OCc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000824119687 607826794 /nfs/dbraw/zinc/82/67/94/607826794.db2.gz OEPMVAACQCMUFG-KRWDZBQOSA-N -1 3 366.421 3.466 20 0 FGADHM CC(C)(C)O[C@@H](C(=O)OCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000824119173 607826874 /nfs/dbraw/zinc/82/68/74/607826874.db2.gz CDXULIWPYDYVTO-QGZVFWFLSA-N -1 3 366.421 3.466 20 0 FGADHM CC(C)(C)O[C@@H](C(=O)OCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000824119173 607826875 /nfs/dbraw/zinc/82/68/75/607826875.db2.gz CDXULIWPYDYVTO-QGZVFWFLSA-N -1 3 366.421 3.466 20 0 FGADHM Cc1noc(C)c1[C@@H](C)CC(=O)OCc1ccc(-c2nnn[n-]2)cc1C ZINC000826253311 607830770 /nfs/dbraw/zinc/83/07/70/607830770.db2.gz LTKSSUJEFJKRLY-NSHDSACASA-N -1 3 355.398 3.017 20 0 FGADHM Cc1noc(C)c1[C@@H](C)CC(=O)OCc1ccc(-c2nn[n-]n2)cc1C ZINC000826253311 607830771 /nfs/dbraw/zinc/83/07/71/607830771.db2.gz LTKSSUJEFJKRLY-NSHDSACASA-N -1 3 355.398 3.017 20 0 FGADHM c1ccc2c(c1)[nH]c1c2CN(c2ccc3cc(-c4nnn[n-]4)ccc3n2)CC1 ZINC000826523936 607840290 /nfs/dbraw/zinc/84/02/90/607840290.db2.gz COSAWPGWHQSHCT-UHFFFAOYSA-N -1 3 367.416 3.459 20 0 FGADHM c1ccc2c(c1)[nH]c1c2CN(c2ccc3cc(-c4nn[n-]n4)ccc3n2)CC1 ZINC000826523936 607840291 /nfs/dbraw/zinc/84/02/91/607840291.db2.gz COSAWPGWHQSHCT-UHFFFAOYSA-N -1 3 367.416 3.459 20 0 FGADHM Cc1nn(C)c(C)c1[C@H]1CCCN1c1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000826333312 607842059 /nfs/dbraw/zinc/84/20/59/607842059.db2.gz CLJHONQRXUEVIL-QGZVFWFLSA-N -1 3 374.452 3.107 20 0 FGADHM Cc1nn(C)c(C)c1[C@H]1CCCN1c1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000826333312 607842060 /nfs/dbraw/zinc/84/20/60/607842060.db2.gz CLJHONQRXUEVIL-QGZVFWFLSA-N -1 3 374.452 3.107 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)c1cccc(C)c1Cl ZINC000826184876 607857088 /nfs/dbraw/zinc/85/70/88/607857088.db2.gz OBQVIMMNDXDACS-UHFFFAOYSA-N -1 3 358.785 3.194 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)c1cccc(C)c1Cl ZINC000826184876 607857089 /nfs/dbraw/zinc/85/70/89/607857089.db2.gz OBQVIMMNDXDACS-UHFFFAOYSA-N -1 3 358.785 3.194 20 0 FGADHM Cc1cccc(C(=O)OCCOc2ccc(-c3nn[n-]n3)cc2)c1Cl ZINC000826296343 607857433 /nfs/dbraw/zinc/85/74/33/607857433.db2.gz SKWUDHYXJIBZRF-UHFFFAOYSA-N -1 3 358.785 3.064 20 0 FGADHM Cc1cc(F)ccc1OC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000826268674 607861563 /nfs/dbraw/zinc/86/15/63/607861563.db2.gz ISQFUMKWWKVVNH-UHFFFAOYSA-N -1 3 356.357 3.077 20 0 FGADHM Cc1cc(F)ccc1OC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000826268674 607861564 /nfs/dbraw/zinc/86/15/64/607861564.db2.gz ISQFUMKWWKVVNH-UHFFFAOYSA-N -1 3 356.357 3.077 20 0 FGADHM O[C@H](Cn1ccc(-c2ccc(-c3nnn[n-]3)cc2)n1)c1cccc(Cl)c1 ZINC000826504663 607868865 /nfs/dbraw/zinc/86/88/65/607868865.db2.gz AUVOVTZAJORSBK-QGZVFWFLSA-N -1 3 366.812 3.117 20 0 FGADHM O[C@H](Cn1ccc(-c2ccc(-c3nn[n-]n3)cc2)n1)c1cccc(Cl)c1 ZINC000826504663 607868866 /nfs/dbraw/zinc/86/88/66/607868866.db2.gz AUVOVTZAJORSBK-QGZVFWFLSA-N -1 3 366.812 3.117 20 0 FGADHM CC(C)(C)[C@H](OC(=O)CCc1ccc(-c2nnn[n-]2)cc1)C(F)(F)F ZINC000824071402 607877617 /nfs/dbraw/zinc/87/76/17/607877617.db2.gz IAHGAOOBMWJUIR-AWEZNQCLSA-N -1 3 356.348 3.320 20 0 FGADHM CC(C)(C)[C@H](OC(=O)CCc1ccc(-c2nn[n-]n2)cc1)C(F)(F)F ZINC000824071402 607877618 /nfs/dbraw/zinc/87/76/18/607877618.db2.gz IAHGAOOBMWJUIR-AWEZNQCLSA-N -1 3 356.348 3.320 20 0 FGADHM Brc1cc2cccnc2c(Cn2ccc(-c3nnn[n-]3)c2)c1 ZINC000823827125 607890739 /nfs/dbraw/zinc/89/07/39/607890739.db2.gz UXECJPKAJQWUKH-UHFFFAOYSA-N -1 3 355.199 3.027 20 0 FGADHM Brc1cc2cccnc2c(Cn2ccc(-c3nn[n-]n3)c2)c1 ZINC000823827125 607890740 /nfs/dbraw/zinc/89/07/40/607890740.db2.gz UXECJPKAJQWUKH-UHFFFAOYSA-N -1 3 355.199 3.027 20 0 FGADHM C[C@@H](Cc1cccc(Cl)c1)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000824457242 607894572 /nfs/dbraw/zinc/89/45/72/607894572.db2.gz HYPOGAYXLPWDKP-NSHDSACASA-N -1 3 373.819 3.154 20 0 FGADHM C[C@@H](Cc1cccc(Cl)c1)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000824457242 607894573 /nfs/dbraw/zinc/89/45/73/607894573.db2.gz HYPOGAYXLPWDKP-NSHDSACASA-N -1 3 373.819 3.154 20 0 FGADHM CC(C)CSCCCNC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000824274094 607919622 /nfs/dbraw/zinc/91/96/22/607919622.db2.gz DZEQCWRULDHZJS-UHFFFAOYSA-N -1 3 368.894 3.421 20 0 FGADHM CC(C)CSCCCNC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000824274094 607919623 /nfs/dbraw/zinc/91/96/23/607919623.db2.gz DZEQCWRULDHZJS-UHFFFAOYSA-N -1 3 368.894 3.421 20 0 FGADHM CS[C@@H](C)CC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000826224705 607932846 /nfs/dbraw/zinc/93/28/46/607932846.db2.gz KIMIKUCLKAKXSI-NSHDSACASA-N -1 3 370.438 3.134 20 0 FGADHM CS[C@@H](C)CC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000826224705 607932847 /nfs/dbraw/zinc/93/28/47/607932847.db2.gz KIMIKUCLKAKXSI-NSHDSACASA-N -1 3 370.438 3.134 20 0 FGADHM CC(C)[C@@H](C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21)c1ccc(F)cc1 ZINC000824185032 607946212 /nfs/dbraw/zinc/94/62/12/607946212.db2.gz PVIVGPDFABSRJI-GOSISDBHSA-N -1 3 365.412 3.335 20 0 FGADHM CC(C)[C@@H](C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21)c1ccc(F)cc1 ZINC000824185032 607946213 /nfs/dbraw/zinc/94/62/13/607946213.db2.gz PVIVGPDFABSRJI-GOSISDBHSA-N -1 3 365.412 3.335 20 0 FGADHM Cc1ccc([C@H]2C[C@H](OC(=O)c3cc(-c4nnn[n-]4)cs3)CCO2)cc1 ZINC000826285293 607946370 /nfs/dbraw/zinc/94/63/70/607946370.db2.gz UZGUECFVDZATCI-HUUCEWRRSA-N -1 3 370.434 3.314 20 0 FGADHM Cc1ccc([C@H]2C[C@H](OC(=O)c3cc(-c4nn[n-]n4)cs3)CCO2)cc1 ZINC000826285293 607946371 /nfs/dbraw/zinc/94/63/71/607946371.db2.gz UZGUECFVDZATCI-HUUCEWRRSA-N -1 3 370.434 3.314 20 0 FGADHM O=C(c1ccc(Cl)cc1Cl)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826473081 607948502 /nfs/dbraw/zinc/94/85/02/607948502.db2.gz JVCYIFPFFSBKOB-UHFFFAOYSA-N -1 3 360.204 3.376 20 0 FGADHM O=C(c1ccc(Cl)cc1Cl)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826473081 607948503 /nfs/dbraw/zinc/94/85/03/607948503.db2.gz JVCYIFPFFSBKOB-UHFFFAOYSA-N -1 3 360.204 3.376 20 0 FGADHM FC(F)Oc1cccc([C@@H]2CN(c3ccc(-c4nn[n-]n4)cc3)CCO2)c1 ZINC000826370386 607969216 /nfs/dbraw/zinc/96/92/16/607969216.db2.gz PZXGJJMOCLTRQW-INIZCTEOSA-N -1 3 373.363 3.046 20 0 FGADHM COc1ccc(C[C@H](C)C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)cc1 ZINC000826190751 607980363 /nfs/dbraw/zinc/98/03/63/607980363.db2.gz MIJOBAFRXYATJG-ZDUSSCGKSA-N -1 3 351.410 3.001 20 0 FGADHM COc1ccc(C[C@H](C)C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)cc1 ZINC000826190751 607980364 /nfs/dbraw/zinc/98/03/64/607980364.db2.gz MIJOBAFRXYATJG-ZDUSSCGKSA-N -1 3 351.410 3.001 20 0 FGADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)C1CCC(F)(F)CC1 ZINC000826451448 607981526 /nfs/dbraw/zinc/98/15/26/607981526.db2.gz HCVLZQUTWIXADC-UHFFFAOYSA-N -1 3 373.310 3.232 20 0 FGADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)C1CCC(F)(F)CC1 ZINC000826451448 607981527 /nfs/dbraw/zinc/98/15/27/607981527.db2.gz HCVLZQUTWIXADC-UHFFFAOYSA-N -1 3 373.310 3.232 20 0 FGADHM Brc1cc(-c2nn[n-]n2)ccc1N1CCc2sccc2C1 ZINC000823826423 607988067 /nfs/dbraw/zinc/98/80/67/607988067.db2.gz INHFJAYHZVMDFL-UHFFFAOYSA-N -1 3 362.256 3.253 20 0 FGADHM CN(C(=O)C1CCC(F)(F)CC1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000825812280 608006310 /nfs/dbraw/zinc/00/63/10/608006310.db2.gz JQIYIHUGDMILJD-UHFFFAOYSA-N -1 3 355.776 3.308 20 0 FGADHM CN(C(=O)C1CCC(F)(F)CC1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000825812280 608006311 /nfs/dbraw/zinc/00/63/11/608006311.db2.gz JQIYIHUGDMILJD-UHFFFAOYSA-N -1 3 355.776 3.308 20 0 FGADHM Cc1cc([C@@H](NC(=O)c2cc(-c3nnn[n-]3)cs2)C2CC2)ccc1F ZINC000826262795 608009642 /nfs/dbraw/zinc/00/96/42/608009642.db2.gz ZBLDJANJGSPITH-HNNXBMFYSA-N -1 3 357.414 3.257 20 0 FGADHM Cc1cc([C@@H](NC(=O)c2cc(-c3nn[n-]n3)cs2)C2CC2)ccc1F ZINC000826262795 608009643 /nfs/dbraw/zinc/00/96/43/608009643.db2.gz ZBLDJANJGSPITH-HNNXBMFYSA-N -1 3 357.414 3.257 20 0 FGADHM Fc1ccc(F)c2c1ncc(-c1nnn[n-]1)c2N1CCc2ccsc2C1 ZINC000826375518 608019017 /nfs/dbraw/zinc/01/90/17/608019017.db2.gz QMJGUMYTFGZUOB-UHFFFAOYSA-N -1 3 370.388 3.317 20 0 FGADHM Fc1ccc(F)c2c1ncc(-c1nn[n-]n1)c2N1CCc2ccsc2C1 ZINC000826375518 608019018 /nfs/dbraw/zinc/01/90/18/608019018.db2.gz QMJGUMYTFGZUOB-UHFFFAOYSA-N -1 3 370.388 3.317 20 0 FGADHM CC[C@H](C)n1ncc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)c1C1CC1 ZINC000825081640 608027063 /nfs/dbraw/zinc/02/70/63/608027063.db2.gz LFWOCSGGGAHOJV-LBPRGKRZSA-N -1 3 365.441 3.472 20 0 FGADHM CC[C@H](C)n1ncc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)c1C1CC1 ZINC000825081640 608027064 /nfs/dbraw/zinc/02/70/64/608027064.db2.gz LFWOCSGGGAHOJV-LBPRGKRZSA-N -1 3 365.441 3.472 20 0 FGADHM O=C(COC(=O)c1cccc(-c2ccoc2)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000826416264 608030181 /nfs/dbraw/zinc/03/01/81/608030181.db2.gz QGPVTTJBXLJWBZ-UHFFFAOYSA-N -1 3 374.356 3.166 20 0 FGADHM O=C(COC(=O)c1cccc(-c2ccoc2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000826416264 608030182 /nfs/dbraw/zinc/03/01/82/608030182.db2.gz QGPVTTJBXLJWBZ-UHFFFAOYSA-N -1 3 374.356 3.166 20 0 FGADHM CC(C)NC(=O)c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000824304565 608046195 /nfs/dbraw/zinc/04/61/95/608046195.db2.gz BCNKWIFBQJFKGL-UHFFFAOYSA-N -1 3 357.801 3.451 20 0 FGADHM CC(C)NC(=O)c1ccc(Oc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000824304565 608046196 /nfs/dbraw/zinc/04/61/96/608046196.db2.gz BCNKWIFBQJFKGL-UHFFFAOYSA-N -1 3 357.801 3.451 20 0 FGADHM CCC(CC)(CCO)CNc1ccc(-c2nn[n-]n2)cc1Br ZINC000825089854 608050739 /nfs/dbraw/zinc/05/07/39/608050739.db2.gz NAJVBEAAUYXBAA-UHFFFAOYSA-N -1 3 368.279 3.230 20 0 FGADHM CC[C@@H](Nc1ccc(-c2nn[n-]n2)cc1Br)C1CCOCC1 ZINC000825149443 608050758 /nfs/dbraw/zinc/05/07/58/608050758.db2.gz YLTQBGWXNNRNTM-CYBMUJFWSA-N -1 3 366.263 3.246 20 0 FGADHM CC(C)CN(C(=O)CSCC(F)(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000824249689 608059611 /nfs/dbraw/zinc/05/96/11/608059611.db2.gz RRVHPYLMLOTIBE-UHFFFAOYSA-N -1 3 373.404 3.151 20 0 FGADHM CC(C)CN(C(=O)CSCC(F)(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000824249689 608059612 /nfs/dbraw/zinc/05/96/12/608059612.db2.gz RRVHPYLMLOTIBE-UHFFFAOYSA-N -1 3 373.404 3.151 20 0 FGADHM Clc1ccc(CN2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)cc1 ZINC000826352272 608066645 /nfs/dbraw/zinc/06/66/45/608066645.db2.gz VFVYIFNHYWNYKR-QGZVFWFLSA-N -1 3 355.829 3.094 20 0 FGADHM Clc1ccc(CN2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)cc1 ZINC000826352272 608066646 /nfs/dbraw/zinc/06/66/46/608066646.db2.gz VFVYIFNHYWNYKR-QGZVFWFLSA-N -1 3 355.829 3.094 20 0 FGADHM Clc1ccccc1CN1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826353420 608070987 /nfs/dbraw/zinc/07/09/87/608070987.db2.gz OIERNKVDIFLCDZ-QGZVFWFLSA-N -1 3 355.829 3.094 20 0 FGADHM Clc1ccccc1CN1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826353420 608070988 /nfs/dbraw/zinc/07/09/88/608070988.db2.gz OIERNKVDIFLCDZ-QGZVFWFLSA-N -1 3 355.829 3.094 20 0 FGADHM C[C@H]1CC[C@@H](COC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)O1 ZINC000824907282 608076089 /nfs/dbraw/zinc/07/60/89/608076089.db2.gz HUOAPBKHEBDVSK-KBPBESRZSA-N -1 3 364.405 3.258 20 0 FGADHM C[C@H]1CC[C@@H](COC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)O1 ZINC000824907282 608076090 /nfs/dbraw/zinc/07/60/90/608076090.db2.gz HUOAPBKHEBDVSK-KBPBESRZSA-N -1 3 364.405 3.258 20 0 FGADHM C[C@H]1CC[C@H](COC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)O1 ZINC000824907284 608076256 /nfs/dbraw/zinc/07/62/56/608076256.db2.gz HUOAPBKHEBDVSK-UONOGXRCSA-N -1 3 364.405 3.258 20 0 FGADHM C[C@H]1CC[C@H](COC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)O1 ZINC000824907284 608076257 /nfs/dbraw/zinc/07/62/57/608076257.db2.gz HUOAPBKHEBDVSK-UONOGXRCSA-N -1 3 364.405 3.258 20 0 FGADHM C[C@H]1CCc2ccccc2[C@H]1NC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000824969382 608102697 /nfs/dbraw/zinc/10/26/97/608102697.db2.gz SZZDLIIMOCQKGS-XOBRGWDASA-N -1 3 361.449 3.239 20 0 FGADHM C[C@H]1CCc2ccccc2[C@H]1NC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000824969382 608102698 /nfs/dbraw/zinc/10/26/98/608102698.db2.gz SZZDLIIMOCQKGS-XOBRGWDASA-N -1 3 361.449 3.239 20 0 FGADHM COc1ccccc1OC[C@H](C)CNc1cccc(F)c1-c1nnn[n-]1 ZINC000826220667 608124331 /nfs/dbraw/zinc/12/43/31/608124331.db2.gz VWWAELZZDJWMSG-GFCCVEGCSA-N -1 3 357.389 3.141 20 0 FGADHM COc1ccccc1OC[C@H](C)CNc1cccc(F)c1-c1nn[n-]n1 ZINC000826220667 608124332 /nfs/dbraw/zinc/12/43/32/608124332.db2.gz VWWAELZZDJWMSG-GFCCVEGCSA-N -1 3 357.389 3.141 20 0 FGADHM CC(C)(C)[C@@H]1C[C@@H](Nc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)CCO1 ZINC000824079942 608149667 /nfs/dbraw/zinc/14/96/67/608149667.db2.gz SXXOPTQBBNMQER-CABZTGNLSA-N -1 3 370.379 3.286 20 0 FGADHM CC(C)(C)[C@@H]1C[C@@H](Nc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)CCO1 ZINC000824079942 608149669 /nfs/dbraw/zinc/14/96/69/608149669.db2.gz SXXOPTQBBNMQER-CABZTGNLSA-N -1 3 370.379 3.286 20 0 FGADHM c1cc(-c2nnn[n-]2)sc1CNc1ccc(-c2n[nH]c(C3CC3)n2)cc1 ZINC000826512499 608161301 /nfs/dbraw/zinc/16/13/01/608161301.db2.gz CTRSJCGPVGSWPF-UHFFFAOYSA-N -1 3 364.438 3.203 20 0 FGADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)C=C(C)c1ccccc1 ZINC000825789369 608177138 /nfs/dbraw/zinc/17/71/38/608177138.db2.gz ZWFIJJOIQYVKLF-QBFSEMIESA-N -1 3 373.420 3.278 20 0 FGADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)C=C(C)c1ccccc1 ZINC000825789369 608177141 /nfs/dbraw/zinc/17/71/41/608177141.db2.gz ZWFIJJOIQYVKLF-QBFSEMIESA-N -1 3 373.420 3.278 20 0 FGADHM CCOc1c(F)cccc1C(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000825605076 608184205 /nfs/dbraw/zinc/18/42/05/608184205.db2.gz PMAAVFBZNXAJNH-LLVKDONJSA-N -1 3 356.357 3.323 20 0 FGADHM CCOc1c(F)cccc1C(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000825605076 608184207 /nfs/dbraw/zinc/18/42/07/608184207.db2.gz PMAAVFBZNXAJNH-LLVKDONJSA-N -1 3 356.357 3.323 20 0 FGADHM C[C@@H](OC(=O)C=Cc1ccnc(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824714523 608196357 /nfs/dbraw/zinc/19/63/57/608196357.db2.gz NSWKKLWURZCLER-ISALQUGTSA-N -1 3 355.785 3.233 20 0 FGADHM C[C@@H](OC(=O)C=Cc1ccnc(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824714523 608196358 /nfs/dbraw/zinc/19/63/58/608196358.db2.gz NSWKKLWURZCLER-ISALQUGTSA-N -1 3 355.785 3.233 20 0 FGADHM C[C@@H](OC(=O)c1cccnc1C(F)(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000824723986 608201077 /nfs/dbraw/zinc/20/10/77/608201077.db2.gz WPHJSIZTMMSNRH-SECBINFHSA-N -1 3 363.299 3.199 20 0 FGADHM C[C@@H](OC(=O)c1cccnc1C(F)(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000824723986 608201079 /nfs/dbraw/zinc/20/10/79/608201079.db2.gz WPHJSIZTMMSNRH-SECBINFHSA-N -1 3 363.299 3.199 20 0 FGADHM C[C@@H](Sc1cccc(Cl)c1-c1nnn[n-]1)C(=O)NCc1ccccc1 ZINC000824753129 608205589 /nfs/dbraw/zinc/20/55/89/608205589.db2.gz CMKZKKJPTIPBJW-LLVKDONJSA-N -1 3 373.869 3.317 20 0 FGADHM C[C@@H](Sc1cccc(Cl)c1-c1nn[n-]n1)C(=O)NCc1ccccc1 ZINC000824753129 608205591 /nfs/dbraw/zinc/20/55/91/608205591.db2.gz CMKZKKJPTIPBJW-LLVKDONJSA-N -1 3 373.869 3.317 20 0 FGADHM c1ccc(N2CCC[C@@H](Nc3ccc4cc(-c5nnn[n-]5)ccc4n3)C2)cc1 ZINC000826522328 608229356 /nfs/dbraw/zinc/22/93/56/608229356.db2.gz WDRANPLWDSTWGK-QGZVFWFLSA-N -1 3 371.448 3.496 20 0 FGADHM c1ccc(N2CCC[C@@H](Nc3ccc4cc(-c5nn[n-]n5)ccc4n3)C2)cc1 ZINC000826522328 608229358 /nfs/dbraw/zinc/22/93/58/608229358.db2.gz WDRANPLWDSTWGK-QGZVFWFLSA-N -1 3 371.448 3.496 20 0 FGADHM c1ccc(N2CCC[C@H](Nc3ccc4cc(-c5nnn[n-]5)ccc4n3)C2)cc1 ZINC000826522327 608229756 /nfs/dbraw/zinc/22/97/56/608229756.db2.gz WDRANPLWDSTWGK-KRWDZBQOSA-N -1 3 371.448 3.496 20 0 FGADHM c1ccc(N2CCC[C@H](Nc3ccc4cc(-c5nn[n-]n5)ccc4n3)C2)cc1 ZINC000826522327 608229757 /nfs/dbraw/zinc/22/97/57/608229757.db2.gz WDRANPLWDSTWGK-KRWDZBQOSA-N -1 3 371.448 3.496 20 0 FGADHM Cc1ccccc1[C@@H]1CN(c2ccc3cc(-c4nnn[n-]4)ccc3n2)CCO1 ZINC000826306600 608230949 /nfs/dbraw/zinc/23/09/49/608230949.db2.gz FIOZDYJOKKZUKI-IBGZPJMESA-N -1 3 372.432 3.301 20 0 FGADHM Cc1ccccc1[C@@H]1CN(c2ccc3cc(-c4nn[n-]n4)ccc3n2)CCO1 ZINC000826306600 608230953 /nfs/dbraw/zinc/23/09/53/608230953.db2.gz FIOZDYJOKKZUKI-IBGZPJMESA-N -1 3 372.432 3.301 20 0 FGADHM CCC1(O)CCC(Nc2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)CC1 ZINC000825176603 608238968 /nfs/dbraw/zinc/23/89/68/608238968.db2.gz ZIFDLQWJZCCWJC-UHFFFAOYSA-N -1 3 374.395 3.189 20 0 FGADHM CCC1(O)CCC(Nc2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)CC1 ZINC000825176603 608238971 /nfs/dbraw/zinc/23/89/71/608238971.db2.gz ZIFDLQWJZCCWJC-UHFFFAOYSA-N -1 3 374.395 3.189 20 0 FGADHM O=C(C=Cc1ccc2[nH]ccc2c1)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000826401367 608252823 /nfs/dbraw/zinc/25/28/23/608252823.db2.gz WOEGEOKHNDFPIY-QHHAFSJGSA-N -1 3 363.352 3.244 20 0 FGADHM O=C(C=Cc1ccc2[nH]ccc2c1)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000826401367 608252824 /nfs/dbraw/zinc/25/28/24/608252824.db2.gz WOEGEOKHNDFPIY-QHHAFSJGSA-N -1 3 363.352 3.244 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)[C@H](c1ccccc1)C1CC1 ZINC000826466127 608254759 /nfs/dbraw/zinc/25/47/59/608254759.db2.gz PQDREYIJOAEPCE-QGZVFWFLSA-N -1 3 352.369 3.243 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)[C@H](c1ccccc1)C1CC1 ZINC000826466127 608254760 /nfs/dbraw/zinc/25/47/60/608254760.db2.gz PQDREYIJOAEPCE-QGZVFWFLSA-N -1 3 352.369 3.243 20 0 FGADHM O=C(Nc1ccc(C2CC2)cc1)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826453196 608270071 /nfs/dbraw/zinc/27/00/71/608270071.db2.gz AHCBOUHPYURBFX-IBGZPJMESA-N -1 3 374.448 3.352 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)c(NCc2ccc(Oc3ccccc3)nc2)n1 ZINC000826276520 608280880 /nfs/dbraw/zinc/28/08/80/608280880.db2.gz JZWYSYWRRYDHAB-UHFFFAOYSA-N -1 3 359.393 3.370 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)c(NCc2ccc(Oc3ccccc3)nc2)n1 ZINC000826276520 608280882 /nfs/dbraw/zinc/28/08/82/608280882.db2.gz JZWYSYWRRYDHAB-UHFFFAOYSA-N -1 3 359.393 3.370 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)c(N[C@H]2CCCN(c3ccc(F)cc3C)C2)n1 ZINC000826275032 608288462 /nfs/dbraw/zinc/28/84/62/608288462.db2.gz MCAOEKMEKUYKNI-HNNXBMFYSA-N -1 3 367.432 3.099 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)c(N[C@H]2CCCN(c3ccc(F)cc3C)C2)n1 ZINC000826275032 608288464 /nfs/dbraw/zinc/28/84/64/608288464.db2.gz MCAOEKMEKUYKNI-HNNXBMFYSA-N -1 3 367.432 3.099 20 0 FGADHM C[C@H](C[C@H](O)c1cccs1)Nc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC000824393278 608299758 /nfs/dbraw/zinc/29/97/58/608299758.db2.gz RHHCGNCEKHFYEY-ABAIWWIYSA-N -1 3 370.482 3.126 20 0 FGADHM C[C@H](C[C@H](O)c1cccs1)Nc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC000824393278 608299759 /nfs/dbraw/zinc/29/97/59/608299759.db2.gz RHHCGNCEKHFYEY-ABAIWWIYSA-N -1 3 370.482 3.126 20 0 FGADHM CCN(C(=O)c1ccc(Cl)cn1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825385726 608345261 /nfs/dbraw/zinc/34/52/61/608345261.db2.gz RWVWCKIKMKYKQV-UHFFFAOYSA-N -1 3 363.208 3.235 20 0 FGADHM CCN(C(=O)c1ccc(Cl)cn1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825385726 608345262 /nfs/dbraw/zinc/34/52/62/608345262.db2.gz RWVWCKIKMKYKQV-UHFFFAOYSA-N -1 3 363.208 3.235 20 0 FGADHM C[C@H]1CCN(C(=O)NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)C1 ZINC000824949956 608356204 /nfs/dbraw/zinc/35/62/04/608356204.db2.gz ZIKJITKBMIOGBM-AWEZNQCLSA-N -1 3 362.437 3.085 20 0 FGADHM C[C@H]1CCN(C(=O)NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)C1 ZINC000824949956 608356206 /nfs/dbraw/zinc/35/62/06/608356206.db2.gz ZIKJITKBMIOGBM-AWEZNQCLSA-N -1 3 362.437 3.085 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1CN(C)Cc1ccc(F)cc1Cl ZINC000826167389 608360663 /nfs/dbraw/zinc/36/06/63/608360663.db2.gz BIDOPPLOROZDFP-UHFFFAOYSA-N -1 3 361.808 3.300 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1CN(C)Cc1ccc(F)cc1Cl ZINC000826167389 608360665 /nfs/dbraw/zinc/36/06/65/608360665.db2.gz BIDOPPLOROZDFP-UHFFFAOYSA-N -1 3 361.808 3.300 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1CN(Cc1ccccc1)CC(F)F ZINC000826168420 608366825 /nfs/dbraw/zinc/36/68/25/608366825.db2.gz MCNXSIAZYORDJD-UHFFFAOYSA-N -1 3 359.380 3.143 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1CN(Cc1ccccc1)CC(F)F ZINC000826168420 608366827 /nfs/dbraw/zinc/36/68/27/608366827.db2.gz MCNXSIAZYORDJD-UHFFFAOYSA-N -1 3 359.380 3.143 20 0 FGADHM C[C@@H](CNC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1)C(C)(C)C ZINC000824420975 608409997 /nfs/dbraw/zinc/40/99/97/608409997.db2.gz RFHFZCAEIRYWFB-AWEZNQCLSA-N -1 3 368.485 3.348 20 0 FGADHM C[C@@H](CNC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1)C(C)(C)C ZINC000824420975 608409998 /nfs/dbraw/zinc/40/99/98/608409998.db2.gz RFHFZCAEIRYWFB-AWEZNQCLSA-N -1 3 368.485 3.348 20 0 FGADHM CC(C)(C)CCCNC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824086891 608412765 /nfs/dbraw/zinc/41/27/65/608412765.db2.gz PLISGBMXWHVDEL-UHFFFAOYSA-N -1 3 368.485 3.492 20 0 FGADHM CC(C)(C)CCCNC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824086891 608412767 /nfs/dbraw/zinc/41/27/67/608412767.db2.gz PLISGBMXWHVDEL-UHFFFAOYSA-N -1 3 368.485 3.492 20 0 FGADHM Cc1ccccc1SCC(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826308101 608435577 /nfs/dbraw/zinc/43/55/77/608435577.db2.gz JVUVYRVRYCCNHR-UHFFFAOYSA-N -1 3 358.398 3.150 20 0 FGADHM Cc1ccccc1SCC(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826308101 608435579 /nfs/dbraw/zinc/43/55/79/608435579.db2.gz JVUVYRVRYCCNHR-UHFFFAOYSA-N -1 3 358.398 3.150 20 0 FGADHM Cc1ccc2c(CC(=O)OCc3cccc(-c4nnn[n-]4)c3F)c[nH]c2c1 ZINC000826293323 608446383 /nfs/dbraw/zinc/44/63/83/608446383.db2.gz LCJVGDUMRIBPRN-UHFFFAOYSA-N -1 3 365.368 3.081 20 0 FGADHM Cc1ccc2c(CC(=O)OCc3cccc(-c4nn[n-]n4)c3F)c[nH]c2c1 ZINC000826293323 608446385 /nfs/dbraw/zinc/44/63/85/608446385.db2.gz LCJVGDUMRIBPRN-UHFFFAOYSA-N -1 3 365.368 3.081 20 0 FGADHM CCOCCC1(C(=O)OCc2cccc(-c3nnn[n-]3)c2F)CCCC1 ZINC000825589562 608452969 /nfs/dbraw/zinc/45/29/69/608452969.db2.gz GVMNHTAARMUBHO-UHFFFAOYSA-N -1 3 362.405 3.036 20 0 FGADHM CCOCCC1(C(=O)OCc2cccc(-c3nn[n-]n3)c2F)CCCC1 ZINC000825589562 608452970 /nfs/dbraw/zinc/45/29/70/608452970.db2.gz GVMNHTAARMUBHO-UHFFFAOYSA-N -1 3 362.405 3.036 20 0 FGADHM C[C@H](C(=O)OCc1cccc(-c2nnn[n-]2)c1F)c1c(F)cccc1F ZINC000824052920 608454395 /nfs/dbraw/zinc/45/43/95/608454395.db2.gz SNZXZVZWPSSPIE-VIFPVBQESA-N -1 3 362.311 3.131 20 0 FGADHM C[C@H](C(=O)OCc1cccc(-c2nn[n-]n2)c1F)c1c(F)cccc1F ZINC000824052920 608454396 /nfs/dbraw/zinc/45/43/96/608454396.db2.gz SNZXZVZWPSSPIE-VIFPVBQESA-N -1 3 362.311 3.131 20 0 FGADHM Cc1ccc(-c2nnc(CN[C@@H](C)c3ccc(-c4nnn[n-]4)cc3)o2)cc1 ZINC000826273838 608466975 /nfs/dbraw/zinc/46/69/75/608466975.db2.gz WMHCQMUEDXMNPZ-ZDUSSCGKSA-N -1 3 361.409 3.076 20 0 FGADHM Cc1ccc(-c2nnc(CN[C@@H](C)c3ccc(-c4nn[n-]n4)cc3)o2)cc1 ZINC000826273838 608466976 /nfs/dbraw/zinc/46/69/76/608466976.db2.gz WMHCQMUEDXMNPZ-ZDUSSCGKSA-N -1 3 361.409 3.076 20 0 FGADHM C[C@@H](NCc1csc(-c2ccoc2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824625351 608467086 /nfs/dbraw/zinc/46/70/86/608467086.db2.gz GDVGTTDCWPHFNP-LLVKDONJSA-N -1 3 352.423 3.434 20 0 FGADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OCCCSC(C)(C)C ZINC000824757251 608476536 /nfs/dbraw/zinc/47/65/36/608476536.db2.gz VBDMLBYYOKVWCJ-GFCCVEGCSA-N -1 3 364.471 3.099 20 0 FGADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)OCCCSC(C)(C)C ZINC000824757251 608476537 /nfs/dbraw/zinc/47/65/37/608476537.db2.gz VBDMLBYYOKVWCJ-GFCCVEGCSA-N -1 3 364.471 3.099 20 0 FGADHM C[C@@H](NCc1ccn(-c2cccc(F)c2)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000824627262 608487525 /nfs/dbraw/zinc/48/75/25/608487525.db2.gz VMPBBQLMQRKDID-CYBMUJFWSA-N -1 3 363.400 3.042 20 0 FGADHM CCCc1csc(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000825348462 608489868 /nfs/dbraw/zinc/48/98/68/608489868.db2.gz LVNNDFNEYNYKEM-UHFFFAOYSA-N -1 3 360.468 3.007 20 0 FGADHM CCCc1csc(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000825348462 608489869 /nfs/dbraw/zinc/48/98/69/608489869.db2.gz LVNNDFNEYNYKEM-UHFFFAOYSA-N -1 3 360.468 3.007 20 0 FGADHM CC[C@@H](OC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1cccc(OC)c1 ZINC000825154544 608499518 /nfs/dbraw/zinc/49/95/18/608499518.db2.gz QGUNGAFMBPFRBD-OAHLLOKOSA-N -1 3 374.347 3.462 20 0 FGADHM CC[C@@H](OC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1cccc(OC)c1 ZINC000825154544 608499521 /nfs/dbraw/zinc/49/95/21/608499521.db2.gz QGUNGAFMBPFRBD-OAHLLOKOSA-N -1 3 374.347 3.462 20 0 FGADHM Cc1cccc(-c2noc(CNC3(c4cccc(-c5nnn[n-]5)c4)CC3)n2)c1 ZINC000826295770 608533679 /nfs/dbraw/zinc/53/36/79/608533679.db2.gz XDTFSCWBHKOSOS-UHFFFAOYSA-N -1 3 373.420 3.004 20 0 FGADHM Cc1cccc(-c2noc(CNC3(c4cccc(-c5nn[n-]n5)c4)CC3)n2)c1 ZINC000826295770 608533680 /nfs/dbraw/zinc/53/36/80/608533680.db2.gz XDTFSCWBHKOSOS-UHFFFAOYSA-N -1 3 373.420 3.004 20 0 FGADHM C[C@@H]1C[C@H](C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCC3)CCC1=O ZINC000824869367 608539569 /nfs/dbraw/zinc/53/95/69/608539569.db2.gz ZTYDMJYBSHHCFI-GHMZBOCLSA-N -1 3 373.482 3.141 20 0 FGADHM C[C@@H]1C[C@H](C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCC3)CCC1=O ZINC000824869367 608539570 /nfs/dbraw/zinc/53/95/70/608539570.db2.gz ZTYDMJYBSHHCFI-GHMZBOCLSA-N -1 3 373.482 3.141 20 0 FGADHM CCCOc1ccc(NC(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825338987 608561697 /nfs/dbraw/zinc/56/16/97/608561697.db2.gz LQCODGIAHQVDCZ-CYBMUJFWSA-N -1 3 367.409 3.062 20 0 FGADHM O=C(Nc1cccc2cccnc21)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826457038 608574441 /nfs/dbraw/zinc/57/44/41/608574441.db2.gz JOZBEXSZZFKTSS-UHFFFAOYSA-N -1 3 350.769 3.321 20 0 FGADHM O=C(Nc1cccc2cccnc21)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826457038 608574442 /nfs/dbraw/zinc/57/44/42/608574442.db2.gz JOZBEXSZZFKTSS-UHFFFAOYSA-N -1 3 350.769 3.321 20 0 FGADHM CN(Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1)CC(F)F ZINC000825981066 608636294 /nfs/dbraw/zinc/63/62/94/608636294.db2.gz NRVQFKBVJSDSDG-UHFFFAOYSA-N -1 3 359.380 3.143 20 0 FGADHM CN(Cc1cccc(OCc2ccccc2-c2nn[n-]n2)c1)CC(F)F ZINC000825981066 608636295 /nfs/dbraw/zinc/63/62/95/608636295.db2.gz NRVQFKBVJSDSDG-UHFFFAOYSA-N -1 3 359.380 3.143 20 0 FGADHM O=C(c1ccccc1)C1CCN(Cc2cccc(-c3nnn[n-]3)c2F)CC1 ZINC000826474193 608646025 /nfs/dbraw/zinc/64/60/25/608646025.db2.gz FLOOXZJIFIILIE-UHFFFAOYSA-N -1 3 365.412 3.101 20 0 FGADHM O=C(c1ccccc1)C1CCN(Cc2cccc(-c3nn[n-]n3)c2F)CC1 ZINC000826474193 608646026 /nfs/dbraw/zinc/64/60/26/608646026.db2.gz FLOOXZJIFIILIE-UHFFFAOYSA-N -1 3 365.412 3.101 20 0 FGADHM Fc1c(CN2CCO[C@H](c3ccccc3Cl)C2)cccc1-c1nnn[n-]1 ZINC000826370699 608649715 /nfs/dbraw/zinc/64/97/15/608649715.db2.gz DTNNVMHBONWRED-INIZCTEOSA-N -1 3 373.819 3.233 20 0 FGADHM Fc1c(CN2CCO[C@H](c3ccccc3Cl)C2)cccc1-c1nn[n-]n1 ZINC000826370699 608649717 /nfs/dbraw/zinc/64/97/17/608649717.db2.gz DTNNVMHBONWRED-INIZCTEOSA-N -1 3 373.819 3.233 20 0 FGADHM CC[C@H](c1ccccc1)N(CC(=O)OC)Cc1cc(-c2nnn[n-]2)cs1 ZINC000825160037 608744435 /nfs/dbraw/zinc/74/44/35/608744435.db2.gz WSOMFJJSWINBHZ-MRXNPFEDSA-N -1 3 371.466 3.055 20 0 FGADHM CC[C@H](c1ccccc1)N(CC(=O)OC)Cc1cc(-c2nn[n-]n2)cs1 ZINC000825160037 608744437 /nfs/dbraw/zinc/74/44/37/608744437.db2.gz WSOMFJJSWINBHZ-MRXNPFEDSA-N -1 3 371.466 3.055 20 0 FGADHM O=C(Nc1cccc(CNc2cnccc2-c2nnn[n-]2)c1)C1CCCC1 ZINC000826456834 608778889 /nfs/dbraw/zinc/77/88/89/608778889.db2.gz ZNNRBLFJHHHDCI-UHFFFAOYSA-N -1 3 363.425 3.003 20 0 FGADHM O=C(Nc1cccc(CNc2cnccc2-c2nn[n-]n2)c1)C1CCCC1 ZINC000826456834 608778891 /nfs/dbraw/zinc/77/88/91/608778891.db2.gz ZNNRBLFJHHHDCI-UHFFFAOYSA-N -1 3 363.425 3.003 20 0 FGADHM C[C@@H](Nc1cnccc1-c1nnn[n-]1)c1ccc(F)c(Br)c1 ZINC000826231899 608781166 /nfs/dbraw/zinc/78/11/66/608781166.db2.gz MEDZHDMMLUJCAY-MRVPVSSYSA-N -1 3 363.194 3.336 20 0 FGADHM C[C@@H](Nc1cnccc1-c1nn[n-]n1)c1ccc(F)c(Br)c1 ZINC000826231899 608781169 /nfs/dbraw/zinc/78/11/69/608781169.db2.gz MEDZHDMMLUJCAY-MRVPVSSYSA-N -1 3 363.194 3.336 20 0 FGADHM Clc1ccccc1OC[C@@H]1CCCN(c2cnccc2-c2nnn[n-]2)C1 ZINC000826353801 608793532 /nfs/dbraw/zinc/79/35/32/608793532.db2.gz DQOFISSHMWOICQ-CYBMUJFWSA-N -1 3 370.844 3.211 20 0 FGADHM Clc1ccccc1OC[C@@H]1CCCN(c2cnccc2-c2nn[n-]n2)C1 ZINC000826353801 608793534 /nfs/dbraw/zinc/79/35/34/608793534.db2.gz DQOFISSHMWOICQ-CYBMUJFWSA-N -1 3 370.844 3.211 20 0 FGADHM FC(F)(F)CSCCNc1nc2ccccc2cc1-c1nnn[n-]1 ZINC000826367867 608799146 /nfs/dbraw/zinc/79/91/46/608799146.db2.gz RGUFINRWEXTQEN-UHFFFAOYSA-N -1 3 354.361 3.122 20 0 FGADHM FC(F)(F)CSCCNc1nc2ccccc2cc1-c1nn[n-]n1 ZINC000826367867 608799148 /nfs/dbraw/zinc/79/91/48/608799148.db2.gz RGUFINRWEXTQEN-UHFFFAOYSA-N -1 3 354.361 3.122 20 0 FGADHM O=C(O[C@H](c1nccs1)c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000826461808 608822844 /nfs/dbraw/zinc/82/28/44/608822844.db2.gz HFLNYOCOHPHXRF-HNNXBMFYSA-N -1 3 363.402 3.270 20 0 FGADHM O=C(O[C@H](c1nccs1)c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000826461808 608822848 /nfs/dbraw/zinc/82/28/48/608822848.db2.gz HFLNYOCOHPHXRF-HNNXBMFYSA-N -1 3 363.402 3.270 20 0 FGADHM Fc1ccc(/C=C\CN2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)cc1 ZINC000826374003 608854785 /nfs/dbraw/zinc/85/47/85/608854785.db2.gz HUGDYLYEQHAKLT-FFPCURRISA-N -1 3 365.412 3.093 20 0 FGADHM Fc1ccc(/C=C\CN2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)cc1 ZINC000826374003 608854786 /nfs/dbraw/zinc/85/47/86/608854786.db2.gz HUGDYLYEQHAKLT-FFPCURRISA-N -1 3 365.412 3.093 20 0 FGADHM Clc1ccccc1Cn1cc(CNc2cccc(-c3nnn[n-]3)c2)cn1 ZINC000826353320 608871530 /nfs/dbraw/zinc/87/15/30/608871530.db2.gz KJULWSWOVXKEOJ-UHFFFAOYSA-N -1 3 365.828 3.377 20 0 FGADHM Clc1ccccc1Cn1cc(CNc2cccc(-c3nn[n-]n3)c2)cn1 ZINC000826353320 608871532 /nfs/dbraw/zinc/87/15/32/608871532.db2.gz KJULWSWOVXKEOJ-UHFFFAOYSA-N -1 3 365.828 3.377 20 0 FGADHM CC[C@@H](C)[C@@H](C)C(=O)OCCOc1c(-c2nnn[n-]2)cnc2ccccc21 ZINC000825059977 609142255 /nfs/dbraw/zinc/14/22/55/609142255.db2.gz MVQWWEAYTMMVCF-CHWSQXEVSA-N -1 3 369.425 3.019 20 0 FGADHM CC[C@@H](C)[C@@H](C)C(=O)OCCOc1c(-c2nn[n-]n2)cnc2ccccc21 ZINC000825059977 609142256 /nfs/dbraw/zinc/14/22/56/609142256.db2.gz MVQWWEAYTMMVCF-CHWSQXEVSA-N -1 3 369.425 3.019 20 0 FGADHM CC[C@H](C)[C@@H](C)C(=O)OCCOc1c(-c2nnn[n-]2)cnc2ccccc21 ZINC000825059979 609142385 /nfs/dbraw/zinc/14/23/85/609142385.db2.gz MVQWWEAYTMMVCF-QWHCGFSZSA-N -1 3 369.425 3.019 20 0 FGADHM CC[C@H](C)[C@@H](C)C(=O)OCCOc1c(-c2nn[n-]n2)cnc2ccccc21 ZINC000825059979 609142387 /nfs/dbraw/zinc/14/23/87/609142387.db2.gz MVQWWEAYTMMVCF-QWHCGFSZSA-N -1 3 369.425 3.019 20 0 FGADHM CC[C@H](C)Oc1cc(C(=O)Nc2sc(C)c(C)c2-c2nnn[n-]2)ccn1 ZINC000825076682 609144415 /nfs/dbraw/zinc/14/44/15/609144415.db2.gz XMJWWVVKRLFWTB-VIFPVBQESA-N -1 3 372.454 3.370 20 0 FGADHM CC[C@H](C)Oc1cc(C(=O)Nc2sc(C)c(C)c2-c2nn[n-]n2)ccn1 ZINC000825076682 609144418 /nfs/dbraw/zinc/14/44/18/609144418.db2.gz XMJWWVVKRLFWTB-VIFPVBQESA-N -1 3 372.454 3.370 20 0 FGADHM C[C@@H](NCc1cccc(OC(C)(C)C)n1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824617936 609156064 /nfs/dbraw/zinc/15/60/64/609156064.db2.gz LVVIUYGBFNYGJC-GFCCVEGCSA-N -1 3 370.432 3.429 20 0 FGADHM C[C@@H](NCc1cccc(OC(C)(C)C)n1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824617936 609156066 /nfs/dbraw/zinc/15/60/66/609156066.db2.gz LVVIUYGBFNYGJC-GFCCVEGCSA-N -1 3 370.432 3.429 20 0 FGADHM C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000824908942 609160014 /nfs/dbraw/zinc/16/00/14/609160014.db2.gz RUHYLZOSLQLVDW-RKDXNWHRSA-N -1 3 372.326 3.201 20 0 FGADHM C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000824908942 609160015 /nfs/dbraw/zinc/16/00/15/609160015.db2.gz RUHYLZOSLQLVDW-RKDXNWHRSA-N -1 3 372.326 3.201 20 0 FGADHM CC(C)C[C@H]1C[C@@H](Nc2ccc3cc(-c4nnn[n-]4)ccc3n2)CCO1 ZINC000824245239 609170935 /nfs/dbraw/zinc/17/09/35/609170935.db2.gz WYQXJINWTHOBGM-HOTGVXAUSA-N -1 3 352.442 3.421 20 0 FGADHM CC(C)C[C@H]1C[C@@H](Nc2ccc3cc(-c4nn[n-]n4)ccc3n2)CCO1 ZINC000824245239 609170936 /nfs/dbraw/zinc/17/09/36/609170936.db2.gz WYQXJINWTHOBGM-HOTGVXAUSA-N -1 3 352.442 3.421 20 0 FGADHM CCOC(=O)Nc1ccc(NC[C@H]2CCO[C@@H](CC)C2)cc1-c1nnn[n-]1 ZINC000825553396 609172332 /nfs/dbraw/zinc/17/23/32/609172332.db2.gz PNXNORXDPYMRMU-JSGCOSHPSA-N -1 3 374.445 3.052 20 0 FGADHM CCOC(=O)Nc1ccc(NC[C@H]2CCO[C@@H](CC)C2)cc1-c1nn[n-]n1 ZINC000825553396 609172334 /nfs/dbraw/zinc/17/23/34/609172334.db2.gz PNXNORXDPYMRMU-JSGCOSHPSA-N -1 3 374.445 3.052 20 0 FGADHM CCNc1ccc(-c2nn[n-]n2)cc1NCC(=O)Nc1ccc(Cl)cc1 ZINC000825480561 609177567 /nfs/dbraw/zinc/17/75/67/609177567.db2.gz BNJKGMJMMLAEPP-UHFFFAOYSA-N -1 3 371.832 3.003 20 0 FGADHM Cc1ccc([C@H]2[C@H](C)CCCN2C(=O)c2c[nH]c(-c3nnn[n-]3)c2)cc1 ZINC000826284826 609216057 /nfs/dbraw/zinc/21/60/57/609216057.db2.gz HJDQEQNSLNXHTQ-CXAGYDPISA-N -1 3 350.426 3.117 20 0 FGADHM Cc1ccc([C@H]2[C@H](C)CCCN2C(=O)c2c[nH]c(-c3nn[n-]n3)c2)cc1 ZINC000826284826 609216058 /nfs/dbraw/zinc/21/60/58/609216058.db2.gz HJDQEQNSLNXHTQ-CXAGYDPISA-N -1 3 350.426 3.117 20 0 FGADHM C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000824771192 609216892 /nfs/dbraw/zinc/21/68/92/609216892.db2.gz QOCRJGZCKFGBSO-ZDUSSCGKSA-N -1 3 350.426 3.198 20 0 FGADHM C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000824771192 609216893 /nfs/dbraw/zinc/21/68/93/609216893.db2.gz QOCRJGZCKFGBSO-ZDUSSCGKSA-N -1 3 350.426 3.198 20 0 FGADHM CC1(C)CC[C@@H]2C[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)c3cccc1c32 ZINC000824803797 609232113 /nfs/dbraw/zinc/23/21/13/609232113.db2.gz XJORRFJUZRBVQK-IAQYHMDHSA-N -1 3 362.437 3.225 20 0 FGADHM CC1(C)CC[C@@H]2C[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)c3cccc1c32 ZINC000824803797 609232115 /nfs/dbraw/zinc/23/21/15/609232115.db2.gz XJORRFJUZRBVQK-IAQYHMDHSA-N -1 3 362.437 3.225 20 0 FGADHM C[C@H](Nc1ccc(O[C@@H]2CCOC2)cc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824657992 609236950 /nfs/dbraw/zinc/23/69/50/609236950.db2.gz TXGVDMJTLNLHRU-BLLLJJGKSA-N -1 3 369.400 3.347 20 0 FGADHM C[C@H](Nc1ccc(O[C@@H]2CCOC2)cc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824657992 609236951 /nfs/dbraw/zinc/23/69/51/609236951.db2.gz TXGVDMJTLNLHRU-BLLLJJGKSA-N -1 3 369.400 3.347 20 0 FGADHM CC(C)CCC[C@H](C)Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1 ZINC000824244827 609240022 /nfs/dbraw/zinc/24/00/22/609240022.db2.gz UQCWRFRNEGWNNP-HNNXBMFYSA-N -1 3 372.517 3.455 20 0 FGADHM CC(C)CCC[C@H](C)Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1 ZINC000824244827 609240024 /nfs/dbraw/zinc/24/00/24/609240024.db2.gz UQCWRFRNEGWNNP-HNNXBMFYSA-N -1 3 372.517 3.455 20 0 FGADHM c1csc(CCCc2nnc(NCc3ccc(-c4nnn[n-]4)s3)o2)c1 ZINC000826525921 609267122 /nfs/dbraw/zinc/26/71/22/609267122.db2.gz DUKJLUPELPKLDP-UHFFFAOYSA-N -1 3 373.467 3.160 20 0 FGADHM CCN(C(=O)C=Cc1ccc(O)cc1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367183 609268722 /nfs/dbraw/zinc/26/87/22/609268722.db2.gz KLGLKTSKRKJJSV-CNTYAEFGSA-N -1 3 363.421 3.195 20 0 FGADHM CCN(C(=O)C=Cc1ccc(O)cc1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367183 609268723 /nfs/dbraw/zinc/26/87/23/609268723.db2.gz KLGLKTSKRKJJSV-CNTYAEFGSA-N -1 3 363.421 3.195 20 0 FGADHM Cc1ccc(N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1C(=O)N(C)C ZINC000826291551 609280566 /nfs/dbraw/zinc/28/05/66/609280566.db2.gz LGYPUPNBHGEMGP-CYBMUJFWSA-N -1 3 350.426 3.050 20 0 FGADHM Cc1ccc(N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1C(=O)N(C)C ZINC000826291551 609280567 /nfs/dbraw/zinc/28/05/67/609280567.db2.gz LGYPUPNBHGEMGP-CYBMUJFWSA-N -1 3 350.426 3.050 20 0 FGADHM CN(Cc1cc(F)c(F)c(F)c1)Cc1cccc(-c2nnn[n-]2)c1F ZINC000825953531 609283251 /nfs/dbraw/zinc/28/32/51/609283251.db2.gz JRPDCBLSQKQYDF-UHFFFAOYSA-N -1 3 351.307 3.055 20 0 FGADHM CN(Cc1cc(F)c(F)c(F)c1)Cc1cccc(-c2nn[n-]n2)c1F ZINC000825953531 609283252 /nfs/dbraw/zinc/28/32/52/609283252.db2.gz JRPDCBLSQKQYDF-UHFFFAOYSA-N -1 3 351.307 3.055 20 0 FGADHM O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826430039 609287289 /nfs/dbraw/zinc/28/72/89/609287289.db2.gz SBVCEJGMQYVASS-NXEZZACHSA-N -1 3 373.766 3.371 20 0 FGADHM O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826430039 609287291 /nfs/dbraw/zinc/28/72/91/609287291.db2.gz SBVCEJGMQYVASS-NXEZZACHSA-N -1 3 373.766 3.371 20 0 FGADHM CC(C)(C)OCC(=O)Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000824119410 609302006 /nfs/dbraw/zinc/30/20/06/609302006.db2.gz IBMJIFMCNUMWPN-UHFFFAOYSA-N -1 3 352.394 3.254 20 0 FGADHM CC(C)(C)OCC(=O)Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000824119410 609302008 /nfs/dbraw/zinc/30/20/08/609302008.db2.gz IBMJIFMCNUMWPN-UHFFFAOYSA-N -1 3 352.394 3.254 20 0 FGADHM CC(C)Oc1ccc(NCc2ccc3c(c2)COC3)cc1-c1nnn[n-]1 ZINC000824329965 609311813 /nfs/dbraw/zinc/31/18/13/609311813.db2.gz ZGILVOYGERSNDH-UHFFFAOYSA-N -1 3 351.410 3.296 20 0 FGADHM CC(C)Oc1ccc(NCc2ccc3c(c2)COC3)cc1-c1nn[n-]n1 ZINC000824329965 609311814 /nfs/dbraw/zinc/31/18/14/609311814.db2.gz ZGILVOYGERSNDH-UHFFFAOYSA-N -1 3 351.410 3.296 20 0 FGADHM Cc1nc2cc(NC(=O)c3ncc(-c4nnn[n-]4)cc3Cl)ccc2s1 ZINC000826329291 609318874 /nfs/dbraw/zinc/31/88/74/609318874.db2.gz XIXFAPATVMCUKF-UHFFFAOYSA-N -1 3 371.813 3.086 20 0 FGADHM Cc1nc2cc(NC(=O)c3ncc(-c4nn[n-]n4)cc3Cl)ccc2s1 ZINC000826329291 609318875 /nfs/dbraw/zinc/31/88/75/609318875.db2.gz XIXFAPATVMCUKF-UHFFFAOYSA-N -1 3 371.813 3.086 20 0 FGADHM C[C@@H]1CCN(c2c(-c3nnn[n-]3)cnc3c(F)ccc(Cl)c32)C[C@@H]1F ZINC000824961861 609318973 /nfs/dbraw/zinc/31/89/73/609318973.db2.gz KDMHTDPAHNXSRH-PELKAZGASA-N -1 3 364.787 3.392 20 0 FGADHM C[C@@H]1CCN(c2c(-c3nn[n-]n3)cnc3c(F)ccc(Cl)c32)C[C@@H]1F ZINC000824961861 609318975 /nfs/dbraw/zinc/31/89/75/609318975.db2.gz KDMHTDPAHNXSRH-PELKAZGASA-N -1 3 364.787 3.392 20 0 FGADHM Cn1cc(CNc2cc(F)ccc2F)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826361797 609345235 /nfs/dbraw/zinc/34/52/35/609345235.db2.gz PLMKWTZRYJHXMW-UHFFFAOYSA-N -1 3 367.363 3.158 20 0 FGADHM Cn1cc(CNc2cc(F)ccc2F)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826361797 609345237 /nfs/dbraw/zinc/34/52/37/609345237.db2.gz PLMKWTZRYJHXMW-UHFFFAOYSA-N -1 3 367.363 3.158 20 0 FGADHM CC(C)[C@H](N[C@H](C)c1ccc(-c2nnn[n-]2)cc1F)C(=O)OC(C)(C)C ZINC000824648603 609347242 /nfs/dbraw/zinc/34/72/42/609347242.db2.gz HFEYUHQYJIPUQY-ABAIWWIYSA-N -1 3 363.437 3.023 20 0 FGADHM CC(C)[C@H](N[C@H](C)c1ccc(-c2nn[n-]n2)cc1F)C(=O)OC(C)(C)C ZINC000824648603 609347243 /nfs/dbraw/zinc/34/72/43/609347243.db2.gz HFEYUHQYJIPUQY-ABAIWWIYSA-N -1 3 363.437 3.023 20 0 FGADHM CN(Cc1ccc(-c2nnn[n-]2)cc1Br)OCc1ccccc1 ZINC000825961565 609367477 /nfs/dbraw/zinc/36/74/77/609367477.db2.gz IORLEHXMUCSUSZ-UHFFFAOYSA-N -1 3 374.242 3.193 20 0 FGADHM CN(Cc1ccc(-c2nn[n-]n2)cc1Br)OCc1ccccc1 ZINC000825961565 609367478 /nfs/dbraw/zinc/36/74/78/609367478.db2.gz IORLEHXMUCSUSZ-UHFFFAOYSA-N -1 3 374.242 3.193 20 0 FGADHM CC[C@@H]1C[C@@H](CC(=O)N(CC)[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000825180765 609376102 /nfs/dbraw/zinc/37/61/02/609376102.db2.gz ANKUYKDGKUDIFU-RLFYNMQTSA-N -1 3 371.485 3.372 20 0 FGADHM CC[C@@H]1C[C@@H](CC(=O)N(CC)[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000825180765 609376105 /nfs/dbraw/zinc/37/61/05/609376105.db2.gz ANKUYKDGKUDIFU-RLFYNMQTSA-N -1 3 371.485 3.372 20 0 FGADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)C[C@@H]2CCO[C@@H](C(C)C)C2)s1 ZINC000825694680 609380725 /nfs/dbraw/zinc/38/07/25/609380725.db2.gz ZEYITCDSKPSFII-BXUZGUMPSA-N -1 3 363.487 3.270 20 0 FGADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)C[C@@H]2CCO[C@@H](C(C)C)C2)s1 ZINC000825694680 609380728 /nfs/dbraw/zinc/38/07/28/609380728.db2.gz ZEYITCDSKPSFII-BXUZGUMPSA-N -1 3 363.487 3.270 20 0 FGADHM Cc1c(NC(=O)c2ccc(OC3CCCC3)nc2)cccc1-c1nnn[n-]1 ZINC000826242138 609394828 /nfs/dbraw/zinc/39/48/28/609394828.db2.gz BLPWDHATUQIHIU-UHFFFAOYSA-N -1 3 364.409 3.144 20 0 FGADHM Cc1c(NC(=O)c2ccc(OC3CCCC3)nc2)cccc1-c1nn[n-]n1 ZINC000826242138 609394831 /nfs/dbraw/zinc/39/48/31/609394831.db2.gz BLPWDHATUQIHIU-UHFFFAOYSA-N -1 3 364.409 3.144 20 0 FGADHM CCOC(=O)Nc1ccc(NC(=O)[C@H]2CCC(C)(C)C2)cc1-c1nnn[n-]1 ZINC000825532158 609395107 /nfs/dbraw/zinc/39/51/07/609395107.db2.gz OSWISQWSPCKWOZ-NSHDSACASA-N -1 3 372.429 3.200 20 0 FGADHM CCOC(=O)Nc1ccc(NC(=O)[C@H]2CCC(C)(C)C2)cc1-c1nn[n-]n1 ZINC000825532158 609395109 /nfs/dbraw/zinc/39/51/09/609395109.db2.gz OSWISQWSPCKWOZ-NSHDSACASA-N -1 3 372.429 3.200 20 0 FGADHM O=C1[C@@H](Oc2ccccc2Cl)CCCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000826477790 609428400 /nfs/dbraw/zinc/42/84/00/609428400.db2.gz LORFMAAMWOPKGK-INIZCTEOSA-N -1 3 369.812 3.095 20 0 FGADHM O=C1[C@@H](Oc2ccccc2Cl)CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826477790 609428403 /nfs/dbraw/zinc/42/84/03/609428403.db2.gz LORFMAAMWOPKGK-INIZCTEOSA-N -1 3 369.812 3.095 20 0 FGADHM O=C(C[C@H]1CCCN1c1cccc(F)c1-c1nnn[n-]1)c1ccccc1 ZINC000826404681 609429944 /nfs/dbraw/zinc/42/99/44/609429944.db2.gz ITEGXSJRWMLTIT-CQSZACIVSA-N -1 3 351.385 3.248 20 0 FGADHM O=C(C[C@H]1CCCN1c1cccc(F)c1-c1nn[n-]n1)c1ccccc1 ZINC000826404681 609429947 /nfs/dbraw/zinc/42/99/47/609429947.db2.gz ITEGXSJRWMLTIT-CQSZACIVSA-N -1 3 351.385 3.248 20 0 FGADHM CSCCCCCCNC(=S)N(C)c1cccc(-c2nnn[n-]2)c1 ZINC000826228256 609444198 /nfs/dbraw/zinc/44/41/98/609444198.db2.gz JRDBZRQFAPERON-UHFFFAOYSA-N -1 3 364.544 3.101 20 0 FGADHM CSCCCCCCNC(=S)N(C)c1cccc(-c2nn[n-]n2)c1 ZINC000826228256 609444201 /nfs/dbraw/zinc/44/42/01/609444201.db2.gz JRDBZRQFAPERON-UHFFFAOYSA-N -1 3 364.544 3.101 20 0 FGADHM CC(=Cc1ccc(C)cc1)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000823943994 609450176 /nfs/dbraw/zinc/45/01/76/609450176.db2.gz WQSQBLUFIANXOZ-UKTHLTGXSA-N -1 3 351.385 3.034 20 0 FGADHM CC(=Cc1ccc(C)cc1)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000823943994 609450178 /nfs/dbraw/zinc/45/01/78/609450178.db2.gz WQSQBLUFIANXOZ-UKTHLTGXSA-N -1 3 351.385 3.034 20 0 FGADHM CC(C)(C)Cc1nc2cc(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)ccc2o1 ZINC000824094405 609458102 /nfs/dbraw/zinc/45/81/02/609458102.db2.gz UKWVPHYWIPETJS-UHFFFAOYSA-N -1 3 365.397 3.177 20 0 FGADHM CC(C)(C)Cc1nc2cc(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)ccc2o1 ZINC000824094405 609458104 /nfs/dbraw/zinc/45/81/04/609458104.db2.gz UKWVPHYWIPETJS-UHFFFAOYSA-N -1 3 365.397 3.177 20 0 FGADHM O=C(Nc1nc(C=Cc2ccccc2)cs1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826460358 609464228 /nfs/dbraw/zinc/46/42/28/609464228.db2.gz ZDNROACVHUPVRU-SREVYHEPSA-N -1 3 363.406 3.074 20 0 FGADHM O=C(Nc1nc(C=Cc2ccccc2)cs1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826460358 609464229 /nfs/dbraw/zinc/46/42/29/609464229.db2.gz ZDNROACVHUPVRU-SREVYHEPSA-N -1 3 363.406 3.074 20 0 FGADHM C[C@H]1CCC[C@H]1C(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000824929177 609468569 /nfs/dbraw/zinc/46/85/69/609468569.db2.gz WWWQJOYUSCBUOT-XHDPSFHLSA-N -1 3 368.466 3.289 20 0 FGADHM C[C@H]1CCC[C@H]1C(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000824929177 609468571 /nfs/dbraw/zinc/46/85/71/609468571.db2.gz WWWQJOYUSCBUOT-XHDPSFHLSA-N -1 3 368.466 3.289 20 0 FGADHM COc1ccc(OC(C)C)c(NCc2cccc(-c3nnn[n-]3)c2F)c1 ZINC000826210616 609479105 /nfs/dbraw/zinc/47/91/05/609479105.db2.gz YCSFYLHTADLJDZ-UHFFFAOYSA-N -1 3 357.389 3.414 20 0 FGADHM COc1ccc(OC(C)C)c(NCc2cccc(-c3nn[n-]n3)c2F)c1 ZINC000826210616 609479106 /nfs/dbraw/zinc/47/91/06/609479106.db2.gz YCSFYLHTADLJDZ-UHFFFAOYSA-N -1 3 357.389 3.414 20 0 FGADHM COCCOc1ccc(-c2nnn[n-]2)cc1NC[C@H]1CCc2ccccc21 ZINC000826162360 609483371 /nfs/dbraw/zinc/48/33/71/609483371.db2.gz YIVTVIJYLURSLF-MRXNPFEDSA-N -1 3 365.437 3.034 20 0 FGADHM COCCOc1ccc(-c2nn[n-]n2)cc1NC[C@H]1CCc2ccccc21 ZINC000826162360 609483374 /nfs/dbraw/zinc/48/33/74/609483374.db2.gz YIVTVIJYLURSLF-MRXNPFEDSA-N -1 3 365.437 3.034 20 0 FGADHM CCN(C(=O)c1ncc(C)cc1C)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825390297 609523302 /nfs/dbraw/zinc/52/33/02/609523302.db2.gz CTTJHDXQAPJJEN-AWEZNQCLSA-N -1 3 350.426 3.102 20 0 FGADHM CCN(C(=O)c1ncc(C)cc1C)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825390297 609523304 /nfs/dbraw/zinc/52/33/04/609523304.db2.gz CTTJHDXQAPJJEN-AWEZNQCLSA-N -1 3 350.426 3.102 20 0 FGADHM Cc1cnc(C(=O)N(Cc2ccco2)c2ccccc2-c2nnn[n-]2)c(C)c1 ZINC000826316932 609525765 /nfs/dbraw/zinc/52/57/65/609525765.db2.gz FQJJULSOEBGZPV-UHFFFAOYSA-N -1 3 374.404 3.319 20 0 FGADHM Cc1cnc(C(=O)N(Cc2ccco2)c2ccccc2-c2nn[n-]n2)c(C)c1 ZINC000826316932 609525767 /nfs/dbraw/zinc/52/57/67/609525767.db2.gz FQJJULSOEBGZPV-UHFFFAOYSA-N -1 3 374.404 3.319 20 0 FGADHM COc1ccccc1OCCCNc1ncc(Cl)c(C)c1-c1nnn[n-]1 ZINC000826220527 609548488 /nfs/dbraw/zinc/54/84/88/609548488.db2.gz QJRBCDYWRQWFRP-UHFFFAOYSA-N -1 3 374.832 3.113 20 0 FGADHM COc1ccccc1OCCCNc1ncc(Cl)c(C)c1-c1nn[n-]n1 ZINC000826220527 609548490 /nfs/dbraw/zinc/54/84/90/609548490.db2.gz QJRBCDYWRQWFRP-UHFFFAOYSA-N -1 3 374.832 3.113 20 0 FGADHM CCC[C@H]1C[C@@H](C(=O)Nc2sc(C)c(CC)c2-c2nnn[n-]2)CCO1 ZINC000825253068 609555436 /nfs/dbraw/zinc/55/54/36/609555436.db2.gz LFRYXNRGMWNBDG-RYUDHWBXSA-N -1 3 363.487 3.333 20 0 FGADHM CCC[C@H]1C[C@@H](C(=O)Nc2sc(C)c(CC)c2-c2nn[n-]n2)CCO1 ZINC000825253068 609555438 /nfs/dbraw/zinc/55/54/38/609555438.db2.gz LFRYXNRGMWNBDG-RYUDHWBXSA-N -1 3 363.487 3.333 20 0 FGADHM Cc1c(NC(=O)c2ccc([C@H]3CCCOC3)cc2)cccc1-c1nnn[n-]1 ZINC000826242129 609579643 /nfs/dbraw/zinc/57/96/43/609579643.db2.gz BAVJCPNGIQZBOA-INIZCTEOSA-N -1 3 363.421 3.321 20 0 FGADHM Cc1c(NC(=O)c2ccc([C@H]3CCCOC3)cc2)cccc1-c1nn[n-]n1 ZINC000826242129 609579645 /nfs/dbraw/zinc/57/96/45/609579645.db2.gz BAVJCPNGIQZBOA-INIZCTEOSA-N -1 3 363.421 3.321 20 0 FGADHM Cc1c(Cl)cnc(N[C@@H]2CC[C@H]3SCCS[C@H]23)c1-c1nnn[n-]1 ZINC000826239098 609582741 /nfs/dbraw/zinc/58/27/41/609582741.db2.gz XVCBYDDUDFJQKL-CKYFFXLPSA-N -1 3 368.919 3.015 20 0 FGADHM Cc1c(Cl)cnc(N[C@@H]2CC[C@H]3SCCS[C@H]23)c1-c1nn[n-]n1 ZINC000826239098 609582743 /nfs/dbraw/zinc/58/27/43/609582743.db2.gz XVCBYDDUDFJQKL-CKYFFXLPSA-N -1 3 368.919 3.015 20 0 FGADHM Cc1ccnc(N(Cc2ccco2)Cc2ccc(O)cc2)c1-c1nnn[n-]1 ZINC000826309676 609583795 /nfs/dbraw/zinc/58/37/95/609583795.db2.gz XTMQYXTXOPBIJN-UHFFFAOYSA-N -1 3 362.393 3.076 20 0 FGADHM Cc1ccnc(N(Cc2ccco2)Cc2ccc(O)cc2)c1-c1nn[n-]n1 ZINC000826309676 609583797 /nfs/dbraw/zinc/58/37/97/609583797.db2.gz XTMQYXTXOPBIJN-UHFFFAOYSA-N -1 3 362.393 3.076 20 0 FGADHM CCOc1ccc(C2=CCN(c3nccc(C)c3-c3nnn[n-]3)CC2)cc1 ZINC000825639451 609584402 /nfs/dbraw/zinc/58/44/02/609584402.db2.gz WHYBGWWLXFTKQG-UHFFFAOYSA-N -1 3 362.437 3.263 20 0 FGADHM CCOc1ccc(C2=CCN(c3nccc(C)c3-c3nn[n-]n3)CC2)cc1 ZINC000825639451 609584404 /nfs/dbraw/zinc/58/44/04/609584404.db2.gz WHYBGWWLXFTKQG-UHFFFAOYSA-N -1 3 362.437 3.263 20 0 FGADHM CCc1nnc(Nc2cc(C)n([C@@H](C)C3CC3)n2)c(-c2nnn[n-]2)c1CC ZINC000825771449 609587449 /nfs/dbraw/zinc/58/74/49/609587449.db2.gz LYUORHXNOOGPNO-NSHDSACASA-N -1 3 367.461 3.001 20 0 FGADHM CCc1nnc(Nc2cc(C)n([C@@H](C)C3CC3)n2)c(-c2nn[n-]n2)c1CC ZINC000825771449 609587451 /nfs/dbraw/zinc/58/74/51/609587451.db2.gz LYUORHXNOOGPNO-NSHDSACASA-N -1 3 367.461 3.001 20 0 FGADHM CC[C@H]1C[C@@H](C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CCO1 ZINC000825184505 609588766 /nfs/dbraw/zinc/58/87/66/609588766.db2.gz VLSSTAWDAJKHOA-ONGXEEELSA-N -1 3 369.347 3.029 20 0 FGADHM CC[C@H]1C[C@@H](C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CCO1 ZINC000825184505 609588768 /nfs/dbraw/zinc/58/87/68/609588768.db2.gz VLSSTAWDAJKHOA-ONGXEEELSA-N -1 3 369.347 3.029 20 0 FGADHM Cc1ccc(C(F)(F)C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826283891 609589472 /nfs/dbraw/zinc/58/94/72/609589472.db2.gz DKXPADAQWCOIPI-LBPRGKRZSA-N -1 3 357.364 3.144 20 0 FGADHM Cc1ccc(C(F)(F)C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826283891 609589474 /nfs/dbraw/zinc/58/94/74/609589474.db2.gz DKXPADAQWCOIPI-LBPRGKRZSA-N -1 3 357.364 3.144 20 0 FGADHM COCC[C@H](Cc1ccco1)Nc1nc2ccccc2cc1-c1nnn[n-]1 ZINC000826154173 609589917 /nfs/dbraw/zinc/58/99/17/609589917.db2.gz JPXYIDHEYABXFN-CQSZACIVSA-N -1 3 364.409 3.068 20 0 FGADHM COCC[C@H](Cc1ccco1)Nc1nc2ccccc2cc1-c1nn[n-]n1 ZINC000826154173 609589919 /nfs/dbraw/zinc/58/99/19/609589919.db2.gz JPXYIDHEYABXFN-CQSZACIVSA-N -1 3 364.409 3.068 20 0 FGADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)c1ccc([C@H]2CCCOC2)cc1 ZINC000826468281 609596681 /nfs/dbraw/zinc/59/66/81/609596681.db2.gz KDMFKNFLJVGDCE-HNNXBMFYSA-N -1 3 368.368 3.119 20 0 FGADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)c1ccc([C@H]2CCCOC2)cc1 ZINC000826468281 609596683 /nfs/dbraw/zinc/59/66/83/609596683.db2.gz KDMFKNFLJVGDCE-HNNXBMFYSA-N -1 3 368.368 3.119 20 0 FGADHM O=C(OCc1ccc(Cl)cc1-c1nnn[n-]1)c1cc(F)ccc1F ZINC000826465327 609613704 /nfs/dbraw/zinc/61/37/04/609613704.db2.gz IDYFSNQTXJPARS-UHFFFAOYSA-N -1 3 350.712 3.155 20 0 FGADHM O=C(OCc1ccc(Cl)cc1-c1nn[n-]n1)c1cc(F)ccc1F ZINC000826465327 609613705 /nfs/dbraw/zinc/61/37/05/609613705.db2.gz IDYFSNQTXJPARS-UHFFFAOYSA-N -1 3 350.712 3.155 20 0 FGADHM O=C(OCc1ccc(Cl)cc1-c1nnn[n-]1)c1ccc(C2CC2)cn1 ZINC000826465704 609615160 /nfs/dbraw/zinc/61/51/60/609615160.db2.gz YEAXQMWGBGIKGI-UHFFFAOYSA-N -1 3 355.785 3.150 20 0 FGADHM O=C(OCc1ccc(Cl)cc1-c1nn[n-]n1)c1ccc(C2CC2)cn1 ZINC000826465704 609615161 /nfs/dbraw/zinc/61/51/61/609615161.db2.gz YEAXQMWGBGIKGI-UHFFFAOYSA-N -1 3 355.785 3.150 20 0 FGADHM COCc1ccc(C(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)cc1 ZINC000826164318 609615885 /nfs/dbraw/zinc/61/58/85/609615885.db2.gz QVCAVOMJYNZAGC-UHFFFAOYSA-N -1 3 358.785 3.024 20 0 FGADHM COCc1ccc(C(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)cc1 ZINC000826164318 609615886 /nfs/dbraw/zinc/61/58/86/609615886.db2.gz QVCAVOMJYNZAGC-UHFFFAOYSA-N -1 3 358.785 3.024 20 0 FGADHM CC/C(C)=C(\C)C(=O)OCc1c(-c2nnn[n-]2)c(C)nn1-c1ccccc1 ZINC000825049295 609639353 /nfs/dbraw/zinc/63/93/53/609639353.db2.gz AJCVWBHFQRRQRE-OUKQBFOZSA-N -1 3 366.425 3.150 20 0 FGADHM C[C@H](OC(=O)c1ccc([O-])cc1)C(=O)Nc1ncc(Cl)cc1Cl ZINC000003507791 695540676 /nfs/dbraw/zinc/54/06/76/695540676.db2.gz CTILVHLCXOXXSP-QMMMGPOBSA-N -1 3 355.177 3.278 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)cc2)cc1 ZINC000010516266 695590851 /nfs/dbraw/zinc/59/08/51/695590851.db2.gz ZIWDSERLBVONIP-UHFFFAOYSA-N -1 3 361.341 3.437 20 0 FGADHM Cc1ccccc1CNC(=O)[C@H](C)OC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000028752650 695705565 /nfs/dbraw/zinc/70/55/65/695705565.db2.gz LUWHLMIUWHRVKO-JTQLQIEISA-N -1 3 355.221 3.492 20 0 FGADHM CS(=O)(=O)[N-]c1ccc(C(=O)OCc2ccc(F)cc2Cl)cc1 ZINC000029008229 695707888 /nfs/dbraw/zinc/70/78/88/695707888.db2.gz XUSHEYVXCXMYJN-UHFFFAOYSA-N -1 3 357.790 3.208 20 0 FGADHM C[C@H]1CCc2c(C(=O)OCC(=O)[N-]C(=O)c3cccs3)csc2C1 ZINC000032835988 695748281 /nfs/dbraw/zinc/74/82/81/695748281.db2.gz CWMVAQWIZQEVDD-JTQLQIEISA-N -1 3 363.460 3.048 20 0 FGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@@H]2CCC[C@H](C)C2)ccc1F ZINC000033101933 695749448 /nfs/dbraw/zinc/74/94/48/695749448.db2.gz DSEMYMQCCHLHMT-DZGCQCFKSA-N -1 3 370.490 3.163 20 0 FGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@H]2CCCC[C@H]2C)ccc1F ZINC000046199716 695835209 /nfs/dbraw/zinc/83/52/09/695835209.db2.gz QMKHIFADOTWQGR-CJNGLKHVSA-N -1 3 370.490 3.163 20 0 FGADHM Cc1nc(C2([N-]S(=O)(=O)c3ccc(Cl)cc3)CCCCC2)no1 ZINC000046800165 695846837 /nfs/dbraw/zinc/84/68/37/695846837.db2.gz ZOMMSRZOUFTLQK-UHFFFAOYSA-N -1 3 355.847 3.169 20 0 FGADHM Cc1sc2[n-]c([C@@H](C)OC(=O)[C@@H](C)OCC(C)C)nc(=O)c2c1C ZINC000051493190 695912318 /nfs/dbraw/zinc/91/23/18/695912318.db2.gz RNZXZCOUBVBBHN-GHMZBOCLSA-N -1 3 352.456 3.267 20 0 FGADHM Cc1ccc([C@H](C)NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])s1 ZINC000054260768 695938469 /nfs/dbraw/zinc/93/84/69/695938469.db2.gz BQYZXMWPTKKVRR-DZGCQCFKSA-N -1 3 358.463 3.244 20 0 FGADHM O=C(CCC(=O)c1ccc(Cl)cc1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000070731295 695954894 /nfs/dbraw/zinc/95/48/94/695954894.db2.gz LVFWDNCIMCFKCJ-UHFFFAOYSA-N -1 3 355.785 3.122 20 0 FGADHM O=C(CCC(=O)c1ccc(Cl)cc1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000070731295 695954895 /nfs/dbraw/zinc/95/48/95/695954895.db2.gz LVFWDNCIMCFKCJ-UHFFFAOYSA-N -1 3 355.785 3.122 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)c(F)c2)c(C)c1 ZINC000076195160 700227145 /nfs/dbraw/zinc/22/71/45/700227145.db2.gz ZFELPJJCABZHPG-UHFFFAOYSA-N -1 3 364.442 3.080 20 0 FGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(C(C)C)cc2)ccc1F ZINC000084169355 700354506 /nfs/dbraw/zinc/35/45/06/700354506.db2.gz WKULQDHSJUQISP-UHFFFAOYSA-N -1 3 350.415 3.110 20 0 FGADHM C[C@@H](C(=O)Nc1cc(Cl)ccc1[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000084631362 700361042 /nfs/dbraw/zinc/36/10/42/700361042.db2.gz KMWLXUCPUMVRCY-SNVBAGLBSA-N -1 3 353.827 3.191 20 0 FGADHM O=C(Nc1ccc(Br)cc1F)c1cc2c(cc1[O-])OCO2 ZINC000093901012 700455785 /nfs/dbraw/zinc/45/57/85/700455785.db2.gz BLJSZAOQUNUKKL-UHFFFAOYSA-N -1 3 354.131 3.275 20 0 FGADHM O=C(CCCc1ccccc1)[N-]OCC(=O)NCc1ccc(Cl)cc1 ZINC000104053817 700491979 /nfs/dbraw/zinc/49/19/79/700491979.db2.gz 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FGADHM O=C(NCCOc1cccc(Cl)c1Cl)c1cccc2n[n-]nc21 ZINC000525874343 714385350 /nfs/dbraw/zinc/38/53/50/714385350.db2.gz UYMZLMNYOFLFSN-UHFFFAOYSA-N -1 3 351.193 3.074 20 0 FGADHM Cc1c(F)c(C(F)(F)F)ccc1C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000525966898 714391393 /nfs/dbraw/zinc/39/13/93/714391393.db2.gz BZZJADJAHGZZPJ-LBPRGKRZSA-N -1 3 357.307 3.402 20 0 FGADHM O=C(COc1cc(Cl)cc(Cl)c1)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000526959098 714415546 /nfs/dbraw/zinc/41/55/46/714415546.db2.gz HIRYVXHWDUCHMB-CYBMUJFWSA-N -1 3 356.209 3.007 20 0 FGADHM C[C@@H]1[C@@H](C(=O)[O-])CCN1Cc1ncc(-c2cccc(Br)c2)o1 ZINC000572967374 714447808 /nfs/dbraw/zinc/44/78/08/714447808.db2.gz AQWZCVOYMWXECP-MFKMUULPSA-N -1 3 365.227 3.399 20 0 FGADHM C[C@H]1CCCc2nc(S(=O)(=O)[N-][C@@H]3CCCC[C@@H]3C(F)(F)F)cn21 ZINC000574985087 714455238 /nfs/dbraw/zinc/45/52/38/714455238.db2.gz KSOBONSVWJPFNR-SDDRHHMPSA-N -1 3 365.421 3.180 20 0 FGADHM CC[C@@H](C)CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000617633518 714677645 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COCc1ccc([N-]S(=O)(=O)C[C@H]2CCCCO2)cc1C(F)(F)F ZINC000656635315 719430347 /nfs/dbraw/zinc/43/03/47/719430347.db2.gz TWCVNPOOUXZDES-CYBMUJFWSA-N -1 3 367.389 3.163 20 0 FGADHM COCc1ccc([N-]S(=O)(=O)C[C@@H](OC)C(C)C)cc1C(F)(F)F ZINC000656634668 719430571 /nfs/dbraw/zinc/43/05/71/719430571.db2.gz GXWITDGRKXIUTB-CQSZACIVSA-N -1 3 369.405 3.265 20 0 FGADHM CCn1c([N-]S(=O)(=O)CCc2ccccc2Cl)nc2cccnc21 ZINC000656735457 719456671 /nfs/dbraw/zinc/45/66/71/719456671.db2.gz SYXUNMPJAMOTNV-UHFFFAOYSA-N -1 3 364.858 3.089 20 0 FGADHM CCOc1ccccc1OCCN1C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C1 ZINC000656756974 719464603 /nfs/dbraw/zinc/46/46/03/719464603.db2.gz JBCHCHYYFBKYBT-OLZOCXBDSA-N -1 3 361.360 3.049 20 0 FGADHM Cc1ccccc1CS(=O)(=O)[N-]C[C@H](OC1CCCC1)C(F)(F)F ZINC000657081425 719560355 /nfs/dbraw/zinc/56/03/55/719560355.db2.gz DHQUZYLANGPELE-HNNXBMFYSA-N -1 3 365.417 3.305 20 0 FGADHM O=S(=O)([N-]Cc1cccc(OC2CC2)c1F)c1ccc(F)cc1F ZINC000657119781 719568299 /nfs/dbraw/zinc/56/82/99/719568299.db2.gz 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719937627 /nfs/dbraw/zinc/93/76/27/719937627.db2.gz VRPYDWFUPCHJEW-INIZCTEOSA-N -1 3 354.244 3.150 20 0 FGADHM C[C@H]1C[C@H]1c1noc(CC2CCN(Cc3csc(C(=O)[O-])c3)CC2)n1 ZINC000659798780 719938226 /nfs/dbraw/zinc/93/82/26/719938226.db2.gz QKQKYKCYYCFFJN-SMDDNHRTSA-N -1 3 361.467 3.407 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1cccnc1C(F)(F)F)C1CCC(F)CC1 ZINC000660033708 719977264 /nfs/dbraw/zinc/97/72/64/719977264.db2.gz CGPWPQSJVRMGQD-KPPDAEKUSA-N -1 3 354.369 3.296 20 0 FGADHM CCc1nc(S(=O)(=O)[N-]CC(C)(C)CC(F)(F)F)cn1CC1CC1 ZINC000660201808 720011127 /nfs/dbraw/zinc/01/11/27/720011127.db2.gz XNDOWOJLGBTABS-UHFFFAOYSA-N -1 3 367.437 3.112 20 0 FGADHM C[C@@]1(CCNC(=O)NCc2ccc([O-])c(Br)c2)CC1(F)F ZINC000661847149 720331304 /nfs/dbraw/zinc/33/13/04/720331304.db2.gz KDFGXNOTWLXOGU-CYBMUJFWSA-N -1 3 363.202 3.389 20 0 FGADHM CO[C@H](CS(=O)(=O)[N-]c1c(C)c2ccccc2nc1SC)C1CC1 ZINC000663300035 720499457 /nfs/dbraw/zinc/49/94/57/720499457.db2.gz PISNDDOOCXECHD-OAHLLOKOSA-N -1 3 366.508 3.432 20 0 FGADHM CC(C)(O)[C@@H]1CCCN1Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000663361207 720505369 /nfs/dbraw/zinc/50/53/69/720505369.db2.gz XIQVPWBMYDDOGN-ZDUSSCGKSA-N -1 3 359.451 3.392 20 0 FGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)NCCCC2CCC2)cc1OC ZINC000664379873 720633174 /nfs/dbraw/zinc/63/31/74/720633174.db2.gz KUYWYJNYPYWMFV-UHFFFAOYSA-N -1 3 369.487 3.159 20 0 FGADHM COc1cc(Br)c(CNC[C@H](C(=O)[O-])C2CCC2)c(OC)c1 ZINC000665362009 720760009 /nfs/dbraw/zinc/76/00/09/720760009.db2.gz XMYHPDKMEXMYMS-LBPRGKRZSA-N -1 3 372.259 3.057 20 0 FGADHM CCN1CCc2ccc([N-]S(=O)(=O)c3ccc(OC)c(F)c3C)cc21 ZINC000782911303 724708010 /nfs/dbraw/zinc/70/80/10/724708010.db2.gz UHLKHDFMFSKFQA-UHFFFAOYSA-N -1 3 364.442 3.326 20 0 FGADHM CSc1ccc([O-])c(C(=O)N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)c1 ZINC000667720356 721163454 /nfs/dbraw/zinc/16/34/54/721163454.db2.gz ICKLODIOQJEBRL-ZDUSSCGKSA-N -1 3 364.511 3.127 20 0 FGADHM O=S(=O)([N-]Cc1nnc(C2CC2)s1)c1cc(Cl)ccc1Cl ZINC000668335355 721278661 /nfs/dbraw/zinc/27/86/61/721278661.db2.gz 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725082531 /nfs/dbraw/zinc/08/25/31/725082531.db2.gz TUTCLOZLLVQRLL-LURJTMIESA-N -1 3 354.153 3.080 20 0 FGADHM O=c1[n-]nc(SCC[C@H](O)c2ccccc2)n1CCc1ccccc1 ZINC000806580100 725134816 /nfs/dbraw/zinc/13/48/16/725134816.db2.gz BEORJRAYQULUCT-KRWDZBQOSA-N -1 3 355.463 3.442 20 0 FGADHM CN(C)C[C@@H](NC(=O)c1ccc2[n-]c(=S)oc2c1)c1ccc(F)cc1 ZINC000807786334 725169441 /nfs/dbraw/zinc/16/94/41/725169441.db2.gz CUGJGBMVAFWLRG-OAHLLOKOSA-N -1 3 359.426 3.288 20 0 FGADHM CCCCc1nc(NC(=O)c2cnc(Cl)c(F)c2)c(C(=O)OCC)[n-]1 ZINC000808769057 725216891 /nfs/dbraw/zinc/21/68/91/725216891.db2.gz HIOOXJWIWWNTRX-UHFFFAOYSA-N -1 3 368.796 3.369 20 0 FGADHM O=C(NCc1nccnc1Cl)c1cc(Cc2ccccc2)ccc1[O-] ZINC000819741714 728941505 /nfs/dbraw/zinc/94/15/05/728941505.db2.gz MOVHBJWSVPJTDP-UHFFFAOYSA-N -1 3 353.809 3.356 20 0 FGADHM CC[C@@H]1[C@H](C(=O)[N-]OCCC(F)(F)F)CCN1C(=O)OC(C)(C)C ZINC000810689948 725322997 /nfs/dbraw/zinc/32/29/97/725322997.db2.gz NOOBPZDRDSLPGU-GHMZBOCLSA-N -1 3 354.369 3.022 20 0 FGADHM CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)c1cc([O-])ccc1Cl ZINC000811478691 725368305 /nfs/dbraw/zinc/36/83/05/725368305.db2.gz MTWMGQQHHRDDDF-LLVKDONJSA-N -1 3 356.850 3.421 20 0 FGADHM CCOc1ccc(CN2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)cc1F ZINC000811514069 725371856 /nfs/dbraw/zinc/37/18/56/725371856.db2.gz BBVMTAAGZFZZIQ-ZDUSSCGKSA-N -1 3 362.367 3.115 20 0 FGADHM CCCn1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)ccc1=O ZINC000812267604 725392003 /nfs/dbraw/zinc/39/20/03/725392003.db2.gz CKBQBQSQRAMGRL-UHFFFAOYSA-N -1 3 366.386 3.139 20 0 FGADHM CC(C)c1nnc([N-]C(=O)c2cn3c(Br)cnc3s2)s1 ZINC000815085686 727034782 /nfs/dbraw/zinc/03/47/82/727034782.db2.gz DVHSTIUZSLKPBK-UHFFFAOYSA-N -1 3 372.273 3.386 20 0 FGADHM CC(F)(F)C(=O)[N-][C@@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000815713766 727093235 /nfs/dbraw/zinc/09/32/35/727093235.db2.gz CWKUYXWLLUKTSQ-HNNXBMFYSA-N -1 3 371.380 3.090 20 0 FGADHM CC(C)(C)OC(=O)N1[C@@H]2C[C@@H]2C[C@H]1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000815850449 727102188 /nfs/dbraw/zinc/10/21/88/727102188.db2.gz MQEQGTSNYLIREC-WQAKAFBOSA-N -1 3 352.818 3.382 20 0 FGADHM CCOC(=O)c1ccc(NC(=O)[C@](C)(O)c2ccc(Cl)cc2)c([O-])c1 ZINC000815878288 727103537 /nfs/dbraw/zinc/10/35/37/727103537.db2.gz AGIVHWROHHDDTH-GOSISDBHSA-N -1 3 363.797 3.069 20 0 FGADHM O=C([N-]N1CCc2ccccc2C1=O)c1cc(Cl)c(F)cc1Cl ZINC000816006824 727115649 /nfs/dbraw/zinc/11/56/49/727115649.db2.gz NNKSYKFCTMSABX-UHFFFAOYSA-N -1 3 353.180 3.476 20 0 FGADHM Cn1nc(Br)cc1NC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000816711764 727190163 /nfs/dbraw/zinc/19/01/63/727190163.db2.gz VSDNVRQTKXXQQW-UHFFFAOYSA-N -1 3 350.216 3.019 20 0 FGADHM Cc1[n-]ncc1S(=O)(=O)Oc1ccc(N2CCCCC2)c(Cl)c1 ZINC000817152098 727225271 /nfs/dbraw/zinc/22/52/71/727225271.db2.gz NTAYCLWKDHITRF-UHFFFAOYSA-N -1 3 355.847 3.130 20 0 FGADHM COCC[C@@H](COC)[N-]C(=O)C(F)(F)c1cc(Cl)ccc1Cl ZINC000817451216 727253363 /nfs/dbraw/zinc/25/33/63/727253363.db2.gz BFEABZJUKHAXFP-JTQLQIEISA-N -1 3 356.196 3.253 20 0 FGADHM COc1ccccc1CNC(=O)[C@@H](C)OC(=O)c1cc2ccsc2[n-]1 ZINC000817708253 727278287 /nfs/dbraw/zinc/27/82/87/727278287.db2.gz WPENQYPPRWLBJA-LLVKDONJSA-N -1 3 358.419 3.100 20 0 FGADHM C[C@H](OC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1ccc(C(F)(F)F)cc1 ZINC000820502384 728999625 /nfs/dbraw/zinc/99/96/25/728999625.db2.gz QELKLOMEZYSCRS-QMMMGPOBSA-N -1 3 351.288 3.132 20 0 FGADHM C[C@H](OC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1ccc(C(F)(F)F)cc1 ZINC000820502384 728999629 /nfs/dbraw/zinc/99/96/29/728999629.db2.gz QELKLOMEZYSCRS-QMMMGPOBSA-N -1 3 351.288 3.132 20 0 FGADHM C[C@]1(CCOC(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)C[C@@]1(F)Cl ZINC000822049139 729141699 /nfs/dbraw/zinc/14/16/99/729141699.db2.gz NKMYXRYBUIVFTB-KBPBESRZSA-N -1 3 367.801 3.059 20 0 FGADHM C[C@H]([N-]C(=O)C(F)(F)c1cccc(Br)c1)c1ccn(C)n1 ZINC000822480088 729179634 /nfs/dbraw/zinc/17/96/34/729179634.db2.gz VTZABNFWDMKKSN-VIFPVBQESA-N -1 3 358.186 3.152 20 0 FGADHM CCCC[C@@](C)(F)C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000822910209 729231299 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Brc1ccc(NCc2ccc3c(c2)COC3)c(-c2nnn[n-]2)c1 ZINC000823832632 729307970 /nfs/dbraw/zinc/30/79/70/729307970.db2.gz RPJOYMHFGVFWNT-UHFFFAOYSA-N -1 3 372.226 3.272 20 0 FGADHM Brc1ccc(NCc2ccc3c(c2)COC3)c(-c2nn[n-]n2)c1 ZINC000823832632 729307972 /nfs/dbraw/zinc/30/79/72/729307972.db2.gz RPJOYMHFGVFWNT-UHFFFAOYSA-N -1 3 372.226 3.272 20 0 FGADHM C[C@H]1CCc2c(sc(NC(=O)[C@@H]3CCCCS3)c2-c2nnn[n-]2)C1 ZINC000824970868 729366424 /nfs/dbraw/zinc/36/64/24/729366424.db2.gz YHQSRCRKEOZTGA-ONGXEEELSA-N -1 3 363.512 3.277 20 0 FGADHM C[C@H]1CCc2c(sc(NC(=O)[C@@H]3CCCCS3)c2-c2nn[n-]n2)C1 ZINC000824970868 729366427 /nfs/dbraw/zinc/36/64/27/729366427.db2.gz YHQSRCRKEOZTGA-ONGXEEELSA-N -1 3 363.512 3.277 20 0 FGADHM CCC[C@H](C)C(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000825233089 729375436 /nfs/dbraw/zinc/37/54/36/729375436.db2.gz NCKDNSGEADIDAZ-JTQLQIEISA-N -1 3 359.821 3.081 20 0 FGADHM CCC[C@H](C)C(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000825233089 729375438 /nfs/dbraw/zinc/37/54/38/729375438.db2.gz NCKDNSGEADIDAZ-JTQLQIEISA-N -1 3 359.821 3.081 20 0 FGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)Nc1ccc2c(c1)C=CCCC2 ZINC000825254674 729375706 /nfs/dbraw/zinc/37/57/06/729375706.db2.gz UIPFEUODUMJGKY-UHFFFAOYSA-N -1 3 351.332 3.495 20 0 FGADHM Cc1c(Cl)cnc(N[C@@H]2CCOc3ccc(F)cc32)c1-c1nnn[n-]1 ZINC000826239414 729406647 /nfs/dbraw/zinc/40/66/47/729406647.db2.gz GXFYCUXSAICMQB-GFCCVEGCSA-N -1 3 360.780 3.298 20 0 FGADHM Cc1c(Cl)cnc(N[C@@H]2CCOc3ccc(F)cc32)c1-c1nn[n-]n1 ZINC000826239414 729406649 /nfs/dbraw/zinc/40/66/49/729406649.db2.gz GXFYCUXSAICMQB-GFCCVEGCSA-N -1 3 360.780 3.298 20 0 FGADHM Cc1ccc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)c(Cl)c1C ZINC000826281690 729406931 /nfs/dbraw/zinc/40/69/31/729406931.db2.gz FZWMSPZXFGPGKD-UHFFFAOYSA-N -1 3 359.792 3.206 20 0 FGADHM Cc1ccc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)c(Cl)c1C ZINC000826281690 729406932 /nfs/dbraw/zinc/40/69/32/729406932.db2.gz FZWMSPZXFGPGKD-UHFFFAOYSA-N -1 3 359.792 3.206 20 0 FGADHM Cc1nnc([C@@H](C)Sc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)o1 ZINC000826335737 729407465 /nfs/dbraw/zinc/40/74/65/729407465.db2.gz ZHNBCZMCANAIID-ZCFIWIBFSA-N -1 3 356.333 3.430 20 0 FGADHM Cc1nnc([C@@H](C)Sc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)o1 ZINC000826335737 729407466 /nfs/dbraw/zinc/40/74/66/729407466.db2.gz ZHNBCZMCANAIID-ZCFIWIBFSA-N -1 3 356.333 3.430 20 0 FGADHM O=C(Oc1ccc(F)c(Br)c1)c1sccc1-c1nnn[n-]1 ZINC000826468334 729408317 /nfs/dbraw/zinc/40/83/17/729408317.db2.gz LVWOXVNOGADJKQ-UHFFFAOYSA-N -1 3 369.175 3.049 20 0 FGADHM COc1ccccc1C(F)(F)C(=O)[N-][C@@H](C)c1nc(C(C)(C)C)no1 ZINC000829214098 729466847 /nfs/dbraw/zinc/46/68/47/729466847.db2.gz FZQOTIHKZGBJHH-JTQLQIEISA-N -1 3 353.369 3.345 20 0 FGADHM O=S(=O)([N-]c1ccc2c(c1)OCCCO2)c1ccc(OC2CC2)cc1 ZINC000829657155 729499837 /nfs/dbraw/zinc/49/98/37/729499837.db2.gz ROYHPDVBGGDZMK-UHFFFAOYSA-N -1 3 361.419 3.190 20 0 FGADHM CSc1ccc([O-])c(C(=O)NC[C@H](O)c2cccc(OC(C)C)c2)c1 ZINC000830247717 729546165 /nfs/dbraw/zinc/54/61/65/729546165.db2.gz CWHGXMYJVNIXJT-SFHVURJKSA-N -1 3 361.463 3.365 20 0 FGADHM CCc1nc(C[N-]S(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)co1 ZINC000832479012 729715752 /nfs/dbraw/zinc/71/57/52/729715752.db2.gz VOHCWPLGMKKKMS-UHFFFAOYSA-N -1 3 368.764 3.388 20 0 FGADHM O=C(c1c[n-]c2cc(F)c(F)cc2c1=O)N1CCC(F)(C2CC2)CC1 ZINC000834600400 729817041 /nfs/dbraw/zinc/81/70/41/729817041.db2.gz ZHBBTNVMVDTEKU-UHFFFAOYSA-N -1 3 350.340 3.161 20 0 FGADHM CCOC(=O)[C@H](OC(=O)c1cc2cc(Cl)sc2[n-]1)[C@H](C)C(C)=O ZINC000835941770 729929075 /nfs/dbraw/zinc/92/90/75/729929075.db2.gz NKNVGVOJTFLPFK-JMCQJSRRSA-N -1 3 357.815 3.196 20 0 FGADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1ccc(OC(F)F)c(Cl)c1 ZINC000836206832 729947180 /nfs/dbraw/zinc/94/71/80/729947180.db2.gz DTCUQPUKHNIJDD-UHFFFAOYSA-N -1 3 366.748 3.336 20 0 FGADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000836206832 729947181 /nfs/dbraw/zinc/94/71/81/729947181.db2.gz DTCUQPUKHNIJDD-UHFFFAOYSA-N -1 3 366.748 3.336 20 0 FGADHM 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C[C@]1(C(=O)[O-])CCCN(Cc2nc3cc(Br)ccc3o2)C1 ZINC000901702386 743622493 /nfs/dbraw/zinc/62/24/93/743622493.db2.gz ZICGSVCKLPVCBV-HNNXBMFYSA-N -1 3 353.216 3.277 20 0 FGADHM O=C([O-])[C@@H](CC(F)(F)F)NCc1cnn(Cc2ccccc2Cl)c1 ZINC000901779355 743639029 /nfs/dbraw/zinc/63/90/29/743639029.db2.gz LGXFWCCZJOSWHQ-CYBMUJFWSA-N -1 3 361.751 3.080 20 0 FGADHM Cc1ccc(-c2n[nH]cc2CN2CC[C@](C(=O)[O-])(C(F)(F)F)C2)cc1 ZINC000901787785 743640680 /nfs/dbraw/zinc/64/06/80/743640680.db2.gz RZAWXOXCKPFPLE-INIZCTEOSA-N -1 3 353.344 3.224 20 0 FGADHM CCCCOc1ccc(CN2CCSC[C@H](C(=O)[O-])C2)cc1OC ZINC000901892363 743669022 /nfs/dbraw/zinc/66/90/22/743669022.db2.gz SWADYUJJZRXAGC-OAHLLOKOSA-N -1 3 353.484 3.124 20 0 FGADHM COc1ccc(C[C@H](C)N[C@H](C)c2ncc(C(=O)[O-])s2)c(C)c1OC ZINC000901908456 743674460 /nfs/dbraw/zinc/67/44/60/743674460.db2.gz UBZDNCGIWPYOPX-CMPLNLGQSA-N -1 3 364.467 3.449 20 0 FGADHM Cc1ccnc(CN2C[C@@H]3CCCC[C@]3(C(=O)[O-])C2)c1Br ZINC000901911246 743675176 /nfs/dbraw/zinc/67/51/76/743675176.db2.gz MKQQPPMXNSSBDV-LRDDRELGSA-N -1 3 353.260 3.229 20 0 FGADHM CC1(C)CCc2cc(CN3C[C@H](C(=O)[O-])[C@@H](C(F)(F)F)C3)ccc2O1 ZINC000901965082 743688517 /nfs/dbraw/zinc/68/85/17/743688517.db2.gz JNZRKEMFADUZOQ-KBPBESRZSA-N -1 3 357.372 3.485 20 0 FGADHM COc1sc(CN2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])cc1Br ZINC000902005553 743696660 /nfs/dbraw/zinc/69/66/60/743696660.db2.gz BQIBOILVWXLDHV-PTOFAABTSA-N -1 3 360.273 3.204 20 0 FGADHM CO[C@H]1CCN(Cc2ccc(C)c(Br)c2C)[C@H](C(=O)[O-])C1 ZINC000902027516 743700356 /nfs/dbraw/zinc/70/03/56/743700356.db2.gz AWIQKHGVNIBSLN-KBPBESRZSA-N -1 3 356.260 3.130 20 0 FGADHM O=C([O-])c1ccc(CN[C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)o1 ZINC000902254994 743726461 /nfs/dbraw/zinc/72/64/61/743726461.db2.gz JKTBTWAPACQCJG-GFCCVEGCSA-N -1 3 354.328 3.365 20 0 FGADHM O=C([O-])c1cc(CN2CCC3(C[C@H]3C(=O)N3CCCCC3)CC2)cs1 ZINC000902430501 743742931 /nfs/dbraw/zinc/74/29/31/743742931.db2.gz HLAIJVIJBICEIF-HNNXBMFYSA-N -1 3 362.495 3.061 20 0 FGADHM O=C([O-])[C@@H](NC[C@@H]1CC1(Cl)Cl)c1ccccc1OC(F)(F)F ZINC000902565235 743758451 /nfs/dbraw/zinc/75/84/51/743758451.db2.gz CENSXXAGDXJVJL-XVKPBYJWSA-N -1 3 358.143 3.494 20 0 FGADHM C[C@@H](CCCO)C[N-]C(=O)C(F)(F)c1ncc(C(F)(F)F)cc1Cl ZINC000902941325 743790855 /nfs/dbraw/zinc/79/08/55/743790855.db2.gz RQCZQGLRAGJEBC-QMMMGPOBSA-N -1 3 374.737 3.370 20 0 FGADHM O=C([O-])c1ccc(CN[C@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)s1 ZINC000903680952 743872840 /nfs/dbraw/zinc/87/28/40/743872840.db2.gz NEQZFUGEOUHKLH-VIFPVBQESA-N -1 3 368.817 3.134 20 0 FGADHM Cc1cc(C)c(N2CC[C@H](NCc3ccc(C(=O)[O-])s3)C2=O)c(C)c1 ZINC000903684947 743874091 /nfs/dbraw/zinc/87/40/91/743874091.db2.gz KFMNNWYHMQOKLP-HNNXBMFYSA-N -1 3 358.463 3.267 20 0 FGADHM COc1ccc(Cl)c(CN2CC[C@H](C(=O)[O-])C[C@H]2[C@H]2CCCO2)c1 ZINC000903941414 743901529 /nfs/dbraw/zinc/90/15/29/743901529.db2.gz OBRHXCKYMMPNSX-AFAVFJNCSA-N -1 3 353.846 3.193 20 0 FGADHM CC(C)C[C@H]1CN(C)CCN1Cc1cc(Br)ccc1C(=O)[O-] ZINC000903944554 743903397 /nfs/dbraw/zinc/90/33/97/743903397.db2.gz RRXARGUIDVKGRK-HNNXBMFYSA-N -1 3 369.303 3.309 20 0 FGADHM Cn1ncc(CN[C@@H](Cc2cc(Cl)cc(Cl)c2)C(=O)[O-])c1Cl ZINC000904002855 743911683 /nfs/dbraw/zinc/91/16/83/743911683.db2.gz FTNXQELHTZVEMV-LBPRGKRZSA-N -1 3 362.644 3.166 20 0 FGADHM COc1cc(C[NH2+][C@@H](CC(=O)[O-])C2CCCC2)cc(Br)c1[O-] ZINC000904040476 743918163 /nfs/dbraw/zinc/91/81/63/743918163.db2.gz DVLNLBGRSZVDEE-ZDUSSCGKSA-N -1 3 372.259 3.286 20 0 FGADHM O=C([O-])C[C@@H](NCc1cn(-c2ccc(F)c(Cl)c2)nn1)C1CCCC1 ZINC000904041267 743918189 /nfs/dbraw/zinc/91/81/89/743918189.db2.gz NTMXDXBTHSUGLB-MRXNPFEDSA-N -1 3 366.824 3.183 20 0 FGADHM COC1([C@H](NCc2cc(C)c(F)cc2Br)C(=O)[O-])CCC1 ZINC000904051721 743920093 /nfs/dbraw/zinc/92/00/93/743920093.db2.gz YBEVVHWVKXZMBT-CYBMUJFWSA-N -1 3 360.223 3.009 20 0 FGADHM CCc1cc(Oc2ccc(F)cc2CN[C@H](CO)C(=O)[O-])ccc1Cl ZINC000904053855 743920590 /nfs/dbraw/zinc/92/05/90/743920590.db2.gz YHOAELSMUMCFLZ-MRXNPFEDSA-N -1 3 367.804 3.369 20 0 FGADHM Cc1ncc(CN[C@@H](CCC(=O)[O-])c2ccc(Br)cc2)n1C ZINC000904072404 743924866 /nfs/dbraw/zinc/92/48/66/743924866.db2.gz HGFHILUFXCULSP-HNNXBMFYSA-N -1 3 366.259 3.187 20 0 FGADHM C=Cn1cc(CN[C@H](CCC(=O)[O-])c2ccc(Br)cc2)cn1 ZINC000904072441 743924881 /nfs/dbraw/zinc/92/48/81/743924881.db2.gz JFEWBXSLMYWFMR-OAHLLOKOSA-N -1 3 364.243 3.442 20 0 FGADHM CCn1nccc1CN[C@@H](CCC(=O)[O-])c1ccc(Br)cc1 ZINC000904072791 743925289 /nfs/dbraw/zinc/92/52/89/743925289.db2.gz YQWKVPVQZSQLII-HNNXBMFYSA-N -1 3 366.259 3.361 20 0 FGADHM CSCC[C@@H]([N-]S(=O)(=O)c1ccc(C)cc1)c1nc(C(C)C)no1 ZINC000904717500 743971626 /nfs/dbraw/zinc/97/16/26/743971626.db2.gz ZROUWNYBVHSDMU-CQSZACIVSA-N -1 3 369.512 3.274 20 0 FGADHM O=C([O-])[C@H](NC[C@H]1CCC2(CCC2)O1)c1ccccc1Br ZINC000905395603 744018456 /nfs/dbraw/zinc/01/84/56/744018456.db2.gz NHRBGGUKAZIYQZ-BXUZGUMPSA-N -1 3 354.244 3.266 20 0 FGADHM Cc1ccc(-c2n[nH]cc2CN2CC[C@@H](c3ncc(C(=O)[O-])s3)C2)o1 ZINC000905749367 744051986 /nfs/dbraw/zinc/05/19/86/744051986.db2.gz LQIXBASBSYAUIP-LLVKDONJSA-N -1 3 358.423 3.122 20 0 FGADHM CC(C)([N-]C(=O)C(F)(F)c1cccc(Br)c1)c1ncccn1 ZINC000905873211 744064901 /nfs/dbraw/zinc/06/49/01/744064901.db2.gz DRRHZSONDBZFPI-UHFFFAOYSA-N -1 3 370.197 3.382 20 0 FGADHM Cc1cc(C)c2cc([N-]S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C)ccc2n1 ZINC000906073284 744089193 /nfs/dbraw/zinc/08/91/93/744089193.db2.gz QUYNCGFDGXRZDQ-QHCPKHFHSA-N -1 3 369.512 3.405 20 0 FGADHM CCC[C@]1(CO)CCCN1C(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000907771199 744236271 /nfs/dbraw/zinc/23/62/71/744236271.db2.gz JGYICCFSYANDDM-QGZVFWFLSA-N -1 3 369.487 3.257 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)c1cncs1 ZINC000907929716 744248181 /nfs/dbraw/zinc/24/81/81/744248181.db2.gz MCGPPILVEWJNCC-ZETCQYMHSA-N -1 3 370.349 3.220 20 0 FGADHM CC[C@@H](C)N(CC(=O)[O-])C(=O)NC[C@@H](c1ccsc1)N(CC)CC ZINC000908804453 744319526 /nfs/dbraw/zinc/31/95/26/744319526.db2.gz WLXGNPNTOKVRJQ-HIFRSBDPSA-N -1 3 355.504 3.026 20 0 FGADHM 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Cc1ccc(NC(=O)c2cccc(NC(=O)CCn3ccnc3)c2)c([O-])c1 ZINC000050026340 493891696 /nfs/dbraw/zinc/89/16/96/493891696.db2.gz NMBISKYZMJEPKP-UHFFFAOYSA-N -1 3 364.405 3.178 20 0 FGADHM CCOCc1ccccc1C[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000030519197 493894050 /nfs/dbraw/zinc/89/40/50/493894050.db2.gz FYRDJBJWFPVIDT-UHFFFAOYSA-N -1 3 359.369 3.119 20 0 FGADHM CCc1ccc([C@H](C[N-]S(=O)(=O)c2ccc(F)cc2F)N(C)C)cc1 ZINC000069090642 493919983 /nfs/dbraw/zinc/91/99/83/493919983.db2.gz AJECVDHNCQAMHR-KRWDZBQOSA-N -1 3 368.449 3.108 20 0 FGADHM CC(=O)NCc1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)C(C)C)s1 ZINC000031071302 493922017 /nfs/dbraw/zinc/92/20/17/493922017.db2.gz JSBMNCGBEPJGDM-KRWDZBQOSA-N -1 3 366.508 3.060 20 0 FGADHM O=C(Cc1csc(-c2cccc(F)c2)n1)Nc1nnc(C(F)(F)F)[n-]1 ZINC000050603786 493923417 /nfs/dbraw/zinc/92/34/17/493923417.db2.gz BEFPXZJJBAHBIT-UHFFFAOYSA-N -1 3 371.319 3.267 20 0 FGADHM O=C(Cc1csc(-c2cccc(F)c2)n1)Nc1nc(C(F)(F)F)n[n-]1 ZINC000050603786 493923421 /nfs/dbraw/zinc/92/34/21/493923421.db2.gz 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493963687 /nfs/dbraw/zinc/96/36/87/493963687.db2.gz PPJKZMABRPWJHG-UHFFFAOYSA-N -1 3 357.218 3.289 20 0 FGADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000061172695 493968195 /nfs/dbraw/zinc/96/81/95/493968195.db2.gz PDZPNHOVSRFUFP-UHFFFAOYSA-N -1 3 367.836 3.144 20 0 FGADHM CC(C)Cc1ccc(S(=O)(=O)[N-]c2cc(C(N)=O)ccc2Cl)cc1 ZINC000032085115 493972980 /nfs/dbraw/zinc/97/29/80/493972980.db2.gz FZQZHCJBJBFRKL-UHFFFAOYSA-N -1 3 366.870 3.438 20 0 FGADHM Cc1ccc(-c2nsc([N-]C(=O)c3ccc(N4CCCC4)nn3)n2)s1 ZINC000069485870 493975625 /nfs/dbraw/zinc/97/56/25/493975625.db2.gz ICHNCQVXXVPHOI-UHFFFAOYSA-N -1 3 372.479 3.218 20 0 FGADHM C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000076938427 493992677 /nfs/dbraw/zinc/99/26/77/493992677.db2.gz KRTDREFUSRJTIL-YPMHNXCESA-N -1 3 367.380 3.119 20 0 FGADHM Cc1cc([N-]C(=O)[C@H](C)N2CCC(Oc3ccc(C)c(C)c3)CC2)on1 ZINC000051992346 493996295 /nfs/dbraw/zinc/99/62/95/493996295.db2.gz UIOCLQLWUGSDBY-INIZCTEOSA-N -1 3 357.454 3.470 20 0 FGADHM C[C@@H](NC(=O)CCn1[n-]c(=O)c2ccccc2c1=O)c1cccc(Cl)c1 ZINC000007138150 494003920 /nfs/dbraw/zinc/00/39/20/494003920.db2.gz IPADKPOIJHOILQ-GFCCVEGCSA-N -1 3 371.824 3.023 20 0 FGADHM COc1ccc(OC)c([C@@H](C)NC(=O)c2c[n-]c3ccccc3c2=O)c1 ZINC000032712973 494006551 /nfs/dbraw/zinc/00/65/51/494006551.db2.gz RIWCNSFGZCZMLR-GFCCVEGCSA-N -1 3 352.390 3.036 20 0 FGADHM O=S(=O)([N-]C1CCC1)c1cc(Br)ccc1Br ZINC000052214150 494011249 /nfs/dbraw/zinc/01/12/49/494011249.db2.gz XEEFVPOZLLITBE-UHFFFAOYSA-N -1 3 369.078 3.042 20 0 FGADHM O=C1[N-]C(=O)c2cc(NCc3cnn(-c4ccc(Cl)cc4)c3)ccc21 ZINC000574104568 505694457 /nfs/dbraw/zinc/69/44/57/505694457.db2.gz JZSJAPAFESICGN-UHFFFAOYSA-N -1 3 352.781 3.021 20 0 FGADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(C)=O)c(Cl)c2)cc1 ZINC000007362267 494017637 /nfs/dbraw/zinc/01/76/37/494017637.db2.gz XYCAUFUQUAYGOE-UHFFFAOYSA-N -1 3 368.842 3.498 20 0 FGADHM CCN(CC)C(=O)c1ccc(S(=O)(=O)[N-]c2cc(C)ccc2F)cc1 ZINC000063147512 494030265 /nfs/dbraw/zinc/03/02/65/494030265.db2.gz VBFYJMKEFSPTLW-UHFFFAOYSA-N -1 3 364.442 3.417 20 0 FGADHM CN(CCOc1cccc(Cl)c1)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000070722491 494051217 /nfs/dbraw/zinc/05/12/17/494051217.db2.gz HMQNOZVCTKZTIG-UHFFFAOYSA-N -1 3 356.809 3.333 20 0 FGADHM CCOCCOc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2F)cc1 ZINC000063442293 494054186 /nfs/dbraw/zinc/05/41/86/494054186.db2.gz GDGSGAXAKKCZOQ-UHFFFAOYSA-N -1 3 357.378 3.181 20 0 FGADHM CC(C)(C)CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000052776859 494061266 /nfs/dbraw/zinc/06/12/66/494061266.db2.gz HBUBGSGKGUPHSH-UHFFFAOYSA-N -1 3 367.446 3.121 20 0 FGADHM COC(=O)c1sccc1S(=O)(=O)[N-]Cc1cccc2ccccc21 ZINC000033525657 494061307 /nfs/dbraw/zinc/06/13/07/494061307.db2.gz BNUILEYQTVVWFI-UHFFFAOYSA-N -1 3 361.444 3.166 20 0 FGADHM COc1ccc(-c2nc(NC(=O)c3cc(C)cc(C)c3)n[n-]2)c(OC)c1 ZINC000063531193 494063571 /nfs/dbraw/zinc/06/35/71/494063571.db2.gz ANGJFPBMUMXVMY-UHFFFAOYSA-N -1 3 352.394 3.358 20 0 FGADHM CCOC(=O)COc1cccc(NC(=O)c2c[n-]nc2-c2ccccc2)c1 ZINC000077507721 494100007 /nfs/dbraw/zinc/10/00/07/494100007.db2.gz YVQGKQBQNBOOGX-UHFFFAOYSA-N -1 3 365.389 3.271 20 0 FGADHM Cc1nc(C)c(CC(=O)N2CCCCC[C@H]2/C=C/c2ccccc2)c(=O)[n-]1 ZINC000084839543 494100386 /nfs/dbraw/zinc/10/03/86/494100386.db2.gz PZDHOMZIRVVQFL-HYSAVQALSA-N -1 3 365.477 3.414 20 0 FGADHM COC[C@@H]([N-]S(=O)(=O)c1cccc2ccc(C)nc21)c1ccc(C)o1 ZINC000084939266 494108721 /nfs/dbraw/zinc/10/87/21/494108721.db2.gz JGRKTOCIEYLMSR-OAHLLOKOSA-N -1 3 360.435 3.111 20 0 FGADHM COc1ccc(C(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)cc1OC ZINC000064342760 494115255 /nfs/dbraw/zinc/11/52/55/494115255.db2.gz JSZKRGXXPHDCAB-UHFFFAOYSA-N -1 3 365.389 3.015 20 0 FGADHM COc1cc(CC(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)ccc1C ZINC000064342426 494115522 /nfs/dbraw/zinc/11/55/22/494115522.db2.gz UYKJJPQTDXSDSC-UHFFFAOYSA-N -1 3 363.417 3.244 20 0 FGADHM CN(C)C(=O)c1ccc(C(=O)Nc2cc(Br)ccc2[O-])cc1 ZINC000085588468 494132514 /nfs/dbraw/zinc/13/25/14/494132514.db2.gz BZAFUGJNXLJWOJ-UHFFFAOYSA-N -1 3 363.211 3.109 20 0 FGADHM O=S(=O)([N-]C[C@H]1COc2ccccc21)c1cccc(Cl)c1Cl ZINC000571319488 505705775 /nfs/dbraw/zinc/70/57/75/505705775.db2.gz UDCCBBNDMNACBQ-JTQLQIEISA-N -1 3 358.246 3.448 20 0 FGADHM Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)CNC(=O)c2ccc([O-])cc2)cc1 ZINC000085686912 494135961 /nfs/dbraw/zinc/13/59/61/494135961.db2.gz RKGPEFKVVLRGEX-IERDGZPVSA-N -1 3 366.461 3.430 20 0 FGADHM O=C(CCc1ccccc1Br)Nc1nnc(-c2ccccn2)[n-]1 ZINC000053528316 494142971 /nfs/dbraw/zinc/14/29/71/494142971.db2.gz VINAXTXNWOEZCJ-UHFFFAOYSA-N -1 3 372.226 3.201 20 0 FGADHM O=C(CCc1ccccc1Br)Nc1nc(-c2ccccn2)n[n-]1 ZINC000053528316 494142973 /nfs/dbraw/zinc/14/29/73/494142973.db2.gz VINAXTXNWOEZCJ-UHFFFAOYSA-N -1 3 372.226 3.201 20 0 FGADHM O=C(CCc1ccccc1Br)Nc1n[n-]c(-c2ccccn2)n1 ZINC000053528316 494142977 /nfs/dbraw/zinc/14/29/77/494142977.db2.gz VINAXTXNWOEZCJ-UHFFFAOYSA-N -1 3 372.226 3.201 20 0 FGADHM Cc1ccc([C@H](C[N-]S(=O)(=O)c2cccs2)N2CCCC2)cc1 ZINC000040615512 494143901 /nfs/dbraw/zinc/14/39/01/494143901.db2.gz OFYSWCYRBTXUDD-INIZCTEOSA-N -1 3 350.509 3.172 20 0 FGADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@@H]1CCC(=O)c2cccn21 ZINC000568476341 505703524 /nfs/dbraw/zinc/70/35/24/505703524.db2.gz ZFIBYKIVMWSAEJ-LBPRGKRZSA-N -1 3 363.211 3.421 20 0 FGADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1ccnc(OCc2ccccc2)c1 ZINC000053797260 494166572 /nfs/dbraw/zinc/16/65/72/494166572.db2.gz GOJVDVDAJBXOIB-UHFFFAOYSA-N -1 3 363.299 3.050 20 0 FGADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1ccnc(OCc2ccccc2)c1 ZINC000053797260 494166575 /nfs/dbraw/zinc/16/65/75/494166575.db2.gz GOJVDVDAJBXOIB-UHFFFAOYSA-N -1 3 363.299 3.050 20 0 FGADHM Cc1[nH]c2ccc(CNC(=O)c3ccc([N-]S(C)(=O)=O)cc3)cc2c1C ZINC000065118893 494173444 /nfs/dbraw/zinc/17/34/44/494173444.db2.gz MCAZJPXCEWHCSJ-UHFFFAOYSA-N -1 3 371.462 3.086 20 0 FGADHM O=C(NCc1cccnc1OC1CCCC1)c1c[n-]c2ccccc2c1=O ZINC000042074977 494198167 /nfs/dbraw/zinc/19/81/67/494198167.db2.gz BMZDJXWZUDOKKD-UHFFFAOYSA-N -1 3 363.417 3.175 20 0 FGADHM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(N(C)C)cc2C)ccc1C ZINC000077888212 494198434 /nfs/dbraw/zinc/19/84/34/494198434.db2.gz ATPGSVDIUBPYFS-UHFFFAOYSA-N -1 3 361.467 3.129 20 0 FGADHM CC[C@@H](CC1CCCC1)C(=O)Nc1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000072563571 494204791 /nfs/dbraw/zinc/20/47/91/494204791.db2.gz HRWAQZBSHPZYRF-XOBRGWDASA-N -1 3 357.454 3.286 20 0 FGADHM CCc1ccc(S(=O)(=O)[N-]c2ccc(N3CCN(C)CC3)cc2C)cc1 ZINC000072602071 494214430 /nfs/dbraw/zinc/21/44/30/494214430.db2.gz WNEKOSAMJLOGLO-UHFFFAOYSA-N -1 3 373.522 3.110 20 0 FGADHM CS(=O)(=O)[N-]c1ccc(C(=O)N(Cc2ccco2)Cc2ccco2)cc1 ZINC000042377796 494219733 /nfs/dbraw/zinc/21/97/33/494219733.db2.gz TWWDKLUFYGRFRC-UHFFFAOYSA-N -1 3 374.418 3.087 20 0 FGADHM Cc1nc(C)c(CC(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)c(=O)[n-]1 ZINC000042362932 494220130 /nfs/dbraw/zinc/22/01/30/494220130.db2.gz LPMDSRMYCBHQOA-NRFANRHFSA-N -1 3 373.456 3.104 20 0 FGADHM CCS(=O)(=O)Nc1ccc(NC(=O)c2cc3c(cc2[O-])CCCC3)cc1 ZINC000065618642 494220504 /nfs/dbraw/zinc/22/05/04/494220504.db2.gz VZEXKRMRVSHBEX-UHFFFAOYSA-N -1 3 374.462 3.285 20 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/nfs/dbraw/zinc/24/44/24/494244424.db2.gz HGQCNPRINFSTRI-CYBMUJFWSA-N -1 3 355.406 3.411 20 0 FGADHM O=C(Nc1ccc(C(=O)NC2CCCCC2)cc1)c1ccc2n[n-]nc2c1 ZINC000065840821 494245513 /nfs/dbraw/zinc/24/55/13/494245513.db2.gz BIGXSJSCNSHCKM-UHFFFAOYSA-N -1 3 363.421 3.273 20 0 FGADHM CCc1noc(CC)c1C[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000088780514 494261972 /nfs/dbraw/zinc/26/19/72/494261972.db2.gz PHCWONNOVSATRD-UHFFFAOYSA-N -1 3 362.373 3.297 20 0 FGADHM COC(=O)[C@H]1CCCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])C1 ZINC000066144528 494278722 /nfs/dbraw/zinc/27/87/22/494278722.db2.gz XDXBDNLAWWJGID-SFHVURJKSA-N -1 3 367.445 3.203 20 0 FGADHM COc1cccc(C(=O)N[C@H](C)c2ccc(NC(=O)C3CC3)cc2)c1[O-] ZINC000078344556 494282804 /nfs/dbraw/zinc/28/28/04/494282804.db2.gz OVNJNZUSLSXTID-GFCCVEGCSA-N -1 3 354.406 3.240 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)NCCCO[C@H](C)c2ccccc2)c1 ZINC000055189310 494312245 /nfs/dbraw/zinc/31/22/45/494312245.db2.gz MQYBHNRPFXVSER-CQSZACIVSA-N -1 3 356.422 3.248 20 0 FGADHM O=C(CCN1CCC(C(=O)c2ccc([O-])cc2)CC1)Nc1ccccc1 ZINC000078517110 494312446 /nfs/dbraw/zinc/31/24/46/494312446.db2.gz NYKGUESFQTYDQR-UHFFFAOYSA-N -1 3 352.434 3.316 20 0 FGADHM CCOc1ccc([C@H](C)NC(=O)c2cc(NC(C)=O)ccc2[O-])cc1OC ZINC000055229624 494316715 /nfs/dbraw/zinc/31/67/15/494316715.db2.gz DSVBAIXHSVPIKH-LBPRGKRZSA-N -1 3 372.421 3.249 20 0 FGADHM O=C1CCCN1c1ccccc1[N-]S(=O)(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000577362159 505713071 /nfs/dbraw/zinc/71/30/71/505713071.db2.gz HVPJXOMZVOZLFU-MAUKXSAKSA-N -1 3 356.447 3.111 20 0 FGADHM Cc1cc(Sc2nnc([N-]c3ccccc3F)s2)n2ncnc2n1 ZINC000078744075 494353574 /nfs/dbraw/zinc/35/35/74/494353574.db2.gz HJIQAHRSOOAXKI-UHFFFAOYSA-N -1 3 359.415 3.318 20 0 FGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N(C)Cc1c(F)cccc1Cl ZINC000078794686 494362098 /nfs/dbraw/zinc/36/20/98/494362098.db2.gz BJPQTXMWMAKQRE-UHFFFAOYSA-N -1 3 365.836 3.441 20 0 FGADHM CCOC(=O)c1sc2[n-]c(Cc3cc(C)ccc3OC)nc(=O)c2c1C ZINC000066606016 494364924 /nfs/dbraw/zinc/36/49/24/494364924.db2.gz HYMKPAXXAMIKHJ-UHFFFAOYSA-N -1 3 372.446 3.378 20 0 FGADHM Cc1cc(C)n(-c2ccccc2[N-]S(=O)(=O)CCc2ccccc2)n1 ZINC000055584987 494366792 /nfs/dbraw/zinc/36/67/92/494366792.db2.gz KTMMSHVRIKYHBX-UHFFFAOYSA-N -1 3 355.463 3.474 20 0 FGADHM COC(=O)CCCCC[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000016087771 494377264 /nfs/dbraw/zinc/37/72/64/494377264.db2.gz BWMFVEWDJATTSF-UHFFFAOYSA-N -1 3 354.255 3.005 20 0 FGADHM O=C(Nc1ccccc1[O-])C1CCN(C(=O)c2cc(F)cc(F)c2)CC1 ZINC000016112190 494378199 /nfs/dbraw/zinc/37/81/99/494378199.db2.gz ODTXMMJSFGMOJX-UHFFFAOYSA-N -1 3 360.360 3.161 20 0 FGADHM COc1ccc([O-])c(C(=O)N[C@@H](c2ccccn2)c2ccccc2OC)c1 ZINC000089848260 494380484 /nfs/dbraw/zinc/38/04/84/494380484.db2.gz HZGCIZFZFJAFIM-HXUWFJFHSA-N -1 3 364.401 3.324 20 0 FGADHM Cc1cccc(C(=O)NCc2cccc(C(=O)NCc3ccco3)c2)c1[O-] ZINC000078958047 494383983 /nfs/dbraw/zinc/38/39/83/494383983.db2.gz CEYDEUJNFHOFRJ-UHFFFAOYSA-N -1 3 364.401 3.154 20 0 FGADHM CCCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c(C)c1 ZINC000055687837 494390562 /nfs/dbraw/zinc/39/05/62/494390562.db2.gz ILKISNZCFOQWAM-UHFFFAOYSA-N -1 3 363.435 3.356 20 0 FGADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000066707204 494390675 /nfs/dbraw/zinc/39/06/75/494390675.db2.gz KWEIOZRQTJYJML-LJQANCHMSA-N -1 3 370.355 3.020 20 0 FGADHM Cc1ccccc1-c1csc(NC(=O)CCc2c(C)nc(C)[n-]c2=O)n1 ZINC000073943635 494452628 /nfs/dbraw/zinc/45/26/28/494452628.db2.gz CSLQAETUMFSBHH-UHFFFAOYSA-N -1 3 368.462 3.390 20 0 FGADHM O=S(=O)([N-]CCCOCCc1ccccc1)c1ccc(Cl)s1 ZINC000056124554 494458060 /nfs/dbraw/zinc/45/80/60/494458060.db2.gz AXHPECIYZGUNGR-UHFFFAOYSA-N -1 3 359.900 3.329 20 0 FGADHM O=c1cc(C(F)(F)F)nc(CNc2ccccc2N2CCCCC2)[n-]1 ZINC000090371084 494459312 /nfs/dbraw/zinc/45/93/12/494459312.db2.gz CKVJLWNSMAVHFP-UHFFFAOYSA-N -1 3 352.360 3.391 20 0 FGADHM CCN(CC)[C@H](C(=O)NCCc1n[n-]c(=S)n1C1CC1)c1ccccc1 ZINC000067119242 494479414 /nfs/dbraw/zinc/47/94/14/494479414.db2.gz JOYCSNFYQQXBTC-KRWDZBQOSA-N -1 3 373.526 3.017 20 0 FGADHM CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000067145434 494483813 /nfs/dbraw/zinc/48/38/13/494483813.db2.gz SAVHJPBBLWVMNI-QGZVFWFLSA-N -1 3 371.824 3.213 20 0 FGADHM CC[C@@H](C)NC(=O)CSc1n[n-]c(COc2ccc(Cl)cc2)n1 ZINC000021158396 494489520 /nfs/dbraw/zinc/48/95/20/494489520.db2.gz WEGXMFYHLUSLBV-SNVBAGLBSA-N -1 3 354.863 3.044 20 0 FGADHM CC[C@@H]1CN(C(=O)c2ccc3c(c2)C(=O)[N-]C3=O)CC[C@H]1c1ccccc1 ZINC000074284210 494509666 /nfs/dbraw/zinc/50/96/66/494509666.db2.gz IBFYHPVXVDCYFG-RHSMWYFYSA-N -1 3 362.429 3.226 20 0 FGADHM Cc1ccc(C(=O)N2CCC(c3nnc4ccccn43)CC2)c([O-])c1C ZINC000079737077 494518355 /nfs/dbraw/zinc/51/83/55/494518355.db2.gz IKDZUKOWFLBGNW-UHFFFAOYSA-N -1 3 350.422 3.072 20 0 FGADHM CO[C@@H](CNC(=O)NCc1ccc([O-])c(F)c1)c1cccc(Cl)c1 ZINC000074374736 494525908 /nfs/dbraw/zinc/52/59/08/494525908.db2.gz ZXOGTTJIIQUADM-INIZCTEOSA-N -1 3 352.793 3.372 20 0 FGADHM C[C@@H]1CN(C(=O)NCc2ccc([O-])c(F)c2)C[C@H](c2ccc(F)cc2)O1 ZINC000074374695 494526447 /nfs/dbraw/zinc/52/64/47/494526447.db2.gz KWGUQLRZRUTGGB-KZULUSFZSA-N -1 3 362.376 3.342 20 0 FGADHM Cc1ccc(CCCC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)s1 ZINC000080002616 494566946 /nfs/dbraw/zinc/56/69/46/494566946.db2.gz YMHPWOMDCJINFK-UHFFFAOYSA-N -1 3 372.490 3.069 20 0 FGADHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)OC)o1)c1ccc(Cl)cc1 ZINC000107698787 494586538 /nfs/dbraw/zinc/58/65/38/494586538.db2.gz OZNLFCVQJQVUSY-GFCCVEGCSA-N -1 3 357.815 3.149 20 0 FGADHM CCc1nc(C[N-]S(=O)(=O)c2ccccc2C(F)(F)F)cs1 ZINC000107703885 494587396 /nfs/dbraw/zinc/58/73/96/494587396.db2.gz ZRDPVKGOTKKIJR-UHFFFAOYSA-N -1 3 350.387 3.203 20 0 FGADHM Cc1cc(C)c2c(=O)[n-]c(SCC(=O)N([C@H](C)C3CC3)C3CC3)nc2n1 ZINC000080093284 494591406 /nfs/dbraw/zinc/59/14/06/494591406.db2.gz KTCPJERWVRJOMT-GFCCVEGCSA-N -1 3 372.494 3.229 20 0 FGADHM O=S(=O)([N-][C@H]1CC=CCC1)c1ccc(Br)cc1Cl ZINC000080121828 494604104 /nfs/dbraw/zinc/60/41/04/494604104.db2.gz XUVXCHBGVGBHMK-JTQLQIEISA-N -1 3 350.665 3.490 20 0 FGADHM 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ZINC000047328445 494682906 /nfs/dbraw/zinc/68/29/06/494682906.db2.gz LSEHTHBKAIZIHE-ZHACJKMWSA-N -1 3 367.430 3.158 20 0 FGADHM Cc1cc(Cl)ccc1NC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000047327534 494682938 /nfs/dbraw/zinc/68/29/38/494682938.db2.gz GEGMHSGCJHRMGP-UHFFFAOYSA-N -1 3 368.824 3.283 20 0 FGADHM COc1cc(F)c(CN[C@@H](CCCc2ccccc2)C(=O)[O-])cc1OC ZINC000571449161 505735901 /nfs/dbraw/zinc/73/59/01/505735901.db2.gz BQEZUJSXTKWUGJ-KRWDZBQOSA-N -1 3 361.413 3.409 20 0 FGADHM COc1ccc2oc(CN3CCN(C(=O)c4ccc([O-])cc4)CC3)cc2c1 ZINC000091811256 494688828 /nfs/dbraw/zinc/68/88/28/494688828.db2.gz FMFZDNCRMPSSJC-UHFFFAOYSA-N -1 3 366.417 3.105 20 0 FGADHM Cc1csc([C@@H](C)[N-]S(=O)(=O)c2sccc2Br)n1 ZINC000067951211 494707508 /nfs/dbraw/zinc/70/75/08/494707508.db2.gz ZXOJJQAPCPFXIE-SSDOTTSWSA-N -1 3 367.315 3.315 20 0 FGADHM C[N-]S(=O)(=O)c1ccc(CNC(=O)[C@H](CC2CCCC2)C(C)C)s1 ZINC000116169831 494720965 /nfs/dbraw/zinc/72/09/65/494720965.db2.gz GRALMIQQAUYMQR-OAHLLOKOSA-N -1 3 372.556 3.125 20 0 FGADHM COc1ccc2oc(CN3CCN(C(=O)c4ccccc4[O-])CC3)cc2c1 ZINC000091924895 494722969 /nfs/dbraw/zinc/72/29/69/494722969.db2.gz BZKYADPJACTTDA-UHFFFAOYSA-N -1 3 366.417 3.105 20 0 FGADHM Cc1nc2sc3c(c2c(NCCNC(=O)c2ccc([O-])cc2)n1)CCC3 ZINC000047537805 494730779 /nfs/dbraw/zinc/73/07/79/494730779.db2.gz WRFHBACPMXBYKP-UHFFFAOYSA-N -1 3 368.462 3.036 20 0 FGADHM O=C(NCCNC(=O)c1ccc([O-])cc1)c1cc2c(s1)CCCCCC2 ZINC000047552959 494733726 /nfs/dbraw/zinc/73/37/26/494733726.db2.gz NOZZFKVCNZKKOM-UHFFFAOYSA-N -1 3 372.490 3.273 20 0 FGADHM CCCS(=O)(=O)[N-]c1cc(NC(=O)[C@H](CC)SC)c(F)cc1F ZINC000121409826 494743906 /nfs/dbraw/zinc/74/39/06/494743906.db2.gz LXFHRZFWJZIBKM-ZDUSSCGKSA-N -1 3 366.455 3.197 20 0 FGADHM CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)CNC(=O)c2ccc([O-])cc2)o1 ZINC000075496841 494777488 /nfs/dbraw/zinc/77/74/88/494777488.db2.gz HPUQFPIRCNSRJH-KDOFPFPSSA-N -1 3 370.449 3.277 20 0 FGADHM C[C@@H]1C[C@H]1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000075530774 494787019 /nfs/dbraw/zinc/78/70/19/494787019.db2.gz GPAGYBCQVHCNIJ-BDJLRTHQSA-N -1 3 364.854 3.279 20 0 FGADHM CN(CCCc1cc(-c2ccccc2)n(C)n1)C(=O)c1c([O-])cccc1O ZINC000092119411 494796019 /nfs/dbraw/zinc/79/60/19/494796019.db2.gz DIKKBTGPUBZFEY-UHFFFAOYSA-N -1 3 365.433 3.203 20 0 FGADHM CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)c1c([O-])cccc1O ZINC000092117744 494796324 /nfs/dbraw/zinc/79/63/24/494796324.db2.gz OERPRTUPHHGGQD-UHFFFAOYSA-N -1 3 369.396 3.332 20 0 FGADHM CCOC(=O)c1nnsc1[N-]C(=O)c1cc2cc(Cl)ccc2o1 ZINC000075575161 494798351 /nfs/dbraw/zinc/79/83/51/494798351.db2.gz YQVQAIROTOOEHB-UHFFFAOYSA-N -1 3 351.771 3.367 20 0 FGADHM CCCC(=O)Nc1cccc(NCc2nc(C(F)(F)F)cc(=O)[n-]2)c1 ZINC000092215393 494810007 /nfs/dbraw/zinc/81/00/07/494810007.db2.gz ZVJROKOAZLAIGD-UHFFFAOYSA-N -1 3 354.332 3.139 20 0 FGADHM C[S@](=O)c1ccc(C(=O)Nc2ccc(Br)cc2[O-])cc1 ZINC000075664630 494810382 /nfs/dbraw/zinc/81/03/82/494810382.db2.gz ZCXDBUCUCKQDFU-HXUWFJFHSA-N -1 3 354.225 3.144 20 0 FGADHM Cc1ccc(-c2ncco2)cc1NCc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000092216327 494810865 /nfs/dbraw/zinc/81/08/65/494810865.db2.gz YYOLFYPSGSDRGX-UHFFFAOYSA-N -1 3 350.300 3.364 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]C[C@H]2CC[C@@H](c3ccccc3)O2)c(F)cc1F ZINC000571486239 505743705 /nfs/dbraw/zinc/74/37/05/505743705.db2.gz WMNNTRIHPXSEMN-PBHICJAKSA-N -1 3 367.417 3.472 20 0 FGADHM O=S(=O)([N-][C@@H](c1cccs1)c1ccc(Cl)cc1)c1c[nH]cn1 ZINC000121693105 494839041 /nfs/dbraw/zinc/83/90/41/494839041.db2.gz OOXKQMDJJSIEDG-CQSZACIVSA-N -1 3 353.856 3.193 20 0 FGADHM O=S(=O)([N-]CCCN1CCc2ccccc2C1)c1ccc(Cl)s1 ZINC000026832898 494840609 /nfs/dbraw/zinc/84/06/09/494840609.db2.gz SSYBYGSWUKEGMW-UHFFFAOYSA-N -1 3 370.927 3.128 20 0 FGADHM CC(C)(C)O[C@@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000126807239 494840976 /nfs/dbraw/zinc/84/09/76/494840976.db2.gz LLGBLXMTOKHSMZ-MRXNPFEDSA-N -1 3 351.410 3.362 20 0 FGADHM CC(C)(C)O[C@@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000126807239 494840980 /nfs/dbraw/zinc/84/09/80/494840980.db2.gz LLGBLXMTOKHSMZ-MRXNPFEDSA-N -1 3 351.410 3.362 20 0 FGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)[C@H](CC)OC1CCCCC1 ZINC000093317618 494867541 /nfs/dbraw/zinc/86/75/41/494867541.db2.gz XQLPMICAHHLROF-ZDUSSCGKSA-N -1 3 352.431 3.480 20 0 FGADHM Cc1cccc(C)c1[C@@H](C)[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC000577536121 505746938 /nfs/dbraw/zinc/74/69/38/505746938.db2.gz UNLAQSHFKHABCB-LLVKDONJSA-N -1 3 361.389 3.095 20 0 FGADHM Cc1cc(Cl)cc(NC(=O)c2cc(S(C)(=O)=O)ccc2C)c1[O-] ZINC000116978759 494878165 /nfs/dbraw/zinc/87/81/65/494878165.db2.gz TZSPVOHQTFAJLC-UHFFFAOYSA-N -1 3 353.827 3.318 20 0 FGADHM COc1cc(C(=O)N(Cc2ccco2)Cc2cccnc2)cc(OC)c1[O-] ZINC000127022905 494881341 /nfs/dbraw/zinc/88/13/41/494881341.db2.gz BBEKLUBHUAJYBM-UHFFFAOYSA-N -1 3 368.389 3.240 20 0 FGADHM CC(C)(C)c1noc(-c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)n1 ZINC000109522018 494885232 /nfs/dbraw/zinc/88/52/32/494885232.db2.gz HBBDGMLGHCRJTM-UHFFFAOYSA-N -1 3 364.402 3.302 20 0 FGADHM CCCC[C@H](Sc1n[n-]c(-c2ccccn2)n1)C(=O)Nc1cc(C)on1 ZINC000117114127 494891578 /nfs/dbraw/zinc/89/15/78/494891578.db2.gz JELAVMFBQWTJBW-ZDUSSCGKSA-N -1 3 372.454 3.453 20 0 FGADHM CCC(=O)Nc1ccc(C(=O)CSc2n[n-]c(-c3ccccn3)n2)cc1 ZINC000117113221 494891871 /nfs/dbraw/zinc/89/18/71/494891871.db2.gz KDGCKODLRIGIAW-UHFFFAOYSA-N -1 3 367.434 3.190 20 0 FGADHM O=C(Nc1ccccc1[O-])C1CCN(C(=O)c2c(F)cccc2F)CC1 ZINC000121930545 494893274 /nfs/dbraw/zinc/89/32/74/494893274.db2.gz UVWHGLYZSLYGJY-UHFFFAOYSA-N -1 3 360.360 3.161 20 0 FGADHM C[C@@H](Oc1cccc(CO)c1)C(=O)Nc1cc(Br)ccc1[O-] ZINC000132589059 494896239 /nfs/dbraw/zinc/89/62/39/494896239.db2.gz SLHOEAVXVONCPY-SNVBAGLBSA-N -1 3 366.211 3.053 20 0 FGADHM COc1ccccc1C[C@@H]1CCCN1C(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000122042277 494914406 /nfs/dbraw/zinc/91/44/06/494914406.db2.gz KDXHOQZGJJHUEM-KRWDZBQOSA-N -1 3 368.433 3.207 20 0 FGADHM Cc1ccc(F)c(S(=O)(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000127268480 494919536 /nfs/dbraw/zinc/91/95/36/494919536.db2.gz ZEEHAJLBCRDLTI-UHFFFAOYSA-N -1 3 374.231 3.081 20 0 FGADHM COc1ccc2c(c1)[n-]cc(C(=O)Nc1nnc(C(F)(F)F)s1)c2=O ZINC000122103073 494923683 /nfs/dbraw/zinc/92/36/83/494923683.db2.gz OTXLECUMFUSAKT-UHFFFAOYSA-N -1 3 370.312 3.072 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]c2cc(CN3CCOCC3)ccc2C)cc1C ZINC000127327854 494929269 /nfs/dbraw/zinc/92/92/69/494929269.db2.gz TWIPIOBYLWNLHZ-UHFFFAOYSA-N -1 3 374.506 3.245 20 0 FGADHM CCc1cccc(C(=O)Nc2cccc(OCC(=O)N3CCCC3)c2)c1[O-] ZINC000093948440 494938325 /nfs/dbraw/zinc/93/83/25/494938325.db2.gz YWVUVFVKWZKGRN-UHFFFAOYSA-N -1 3 368.433 3.208 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N2C[C@H](c3ccccc3)OCC2(C)C)c1 ZINC000122193278 494938645 /nfs/dbraw/zinc/93/86/45/494938645.db2.gz KAXJRPLWTLZJTN-LJQANCHMSA-N -1 3 368.433 3.343 20 0 FGADHM Cc1ccc(C(=O)N(C)C)cc1NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000094013083 494939313 /nfs/dbraw/zinc/93/93/13/494939313.db2.gz RYAFIJRMGOMSJP-UHFFFAOYSA-N -1 3 368.433 3.368 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C1CCOCC1 ZINC000132934253 494945274 /nfs/dbraw/zinc/94/52/74/494945274.db2.gz OKWRZQFSUORSDM-VIFPVBQESA-N -1 3 371.808 3.452 20 0 FGADHM Cc1ccc(C)c(SCC(=O)Nc2ccc(Cc3nnn[n-]3)cc2)c1 ZINC000127500665 494953296 /nfs/dbraw/zinc/95/32/96/494953296.db2.gz OMXZTXPDXHONLT-UHFFFAOYSA-N -1 3 353.451 3.138 20 0 FGADHM Cc1ccc(C)c(SCC(=O)Nc2ccc(Cc3nn[n-]n3)cc2)c1 ZINC000127500665 494953301 /nfs/dbraw/zinc/95/33/01/494953301.db2.gz OMXZTXPDXHONLT-UHFFFAOYSA-N -1 3 353.451 3.138 20 0 FGADHM Cc1ccc([C@@H]2COCCN2C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)o1 ZINC000094154534 494954478 /nfs/dbraw/zinc/95/44/78/494954478.db2.gz IIPANFICCPNSTP-HNNXBMFYSA-N -1 3 357.406 3.221 20 0 FGADHM C[C@@H](O)C1CCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])CC1 ZINC000094157307 494955246 /nfs/dbraw/zinc/95/52/46/494955246.db2.gz CPQCWADPIOTONX-MRXNPFEDSA-N -1 3 353.462 3.410 20 0 FGADHM COc1ccc(Br)cc1S(=O)(=O)[N-][C@H]1CCCC1(C)C ZINC000094268819 494956538 /nfs/dbraw/zinc/95/65/38/494956538.db2.gz INJDNOYCNCGHAD-ZDUSSCGKSA-N -1 3 362.289 3.315 20 0 FGADHM Cc1cscc1C[N-]S(=O)(=O)c1sccc1Br ZINC000094883662 494958009 /nfs/dbraw/zinc/95/80/09/494958009.db2.gz FXCFPSJAAZLFHE-UHFFFAOYSA-N -1 3 352.300 3.359 20 0 FGADHM Cn1cc(C(=O)Nc2cc(Br)ccc2[O-])c(C(C)(C)C)n1 ZINC000127545347 494959708 /nfs/dbraw/zinc/95/97/08/494959708.db2.gz POXBHERNJCPCRX-UHFFFAOYSA-N -1 3 352.232 3.438 20 0 FGADHM CCc1cnc(CNC(=O)NCc2ccc([O-])c(Br)c2)s1 ZINC000133054638 494961740 /nfs/dbraw/zinc/96/17/40/494961740.db2.gz RGRYODVTVGJIHS-UHFFFAOYSA-N -1 3 370.272 3.173 20 0 FGADHM O=C(c1c([O-])cccc1F)N1CCCN(CCCc2ccccc2)CC1 ZINC000122416705 494971744 /nfs/dbraw/zinc/97/17/44/494971744.db2.gz BFOSYZPFKCCHNQ-UHFFFAOYSA-N -1 3 356.441 3.312 20 0 FGADHM CCCS(=O)(=O)[N-]c1cc(NC(=O)c2ccc(C)n2C)c(F)cc1F ZINC000110688799 495000769 /nfs/dbraw/zinc/00/07/69/495000769.db2.gz NQBBCCORXTUBLD-UHFFFAOYSA-N -1 3 371.409 3.016 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-]Cc1coc(-c2ccc(C)cc2)n1 ZINC000122683220 495015097 /nfs/dbraw/zinc/01/50/97/495015097.db2.gz BHXYVJHIACITTF-UHFFFAOYSA-N -1 3 364.448 3.199 20 0 FGADHM O=S(=O)([N-]c1cccc(O)c1F)c1cccc(OC(F)(F)F)c1 ZINC000127904585 495015376 /nfs/dbraw/zinc/01/53/76/495015376.db2.gz RQUUFJXPHQYLQG-UHFFFAOYSA-N -1 3 351.277 3.231 20 0 FGADHM CC[C@@H]1CCCCN1CCNC(=O)c1ccc(Br)c([O-])c1 ZINC000133455107 495015561 /nfs/dbraw/zinc/01/55/61/495015561.db2.gz HLBNTKRSPOHYTD-CYBMUJFWSA-N -1 3 355.276 3.149 20 0 FGADHM CC(C)n1cnnc1C1CCN(C(=O)Cc2ccc([O-])cc2Cl)CC1 ZINC000133655072 495041891 /nfs/dbraw/zinc/04/18/91/495041891.db2.gz ULOCGBNKAVAWIV-UHFFFAOYSA-N -1 3 362.861 3.167 20 0 FGADHM Cc1oc2ncn(C)c(=O)c2c1C(=O)[N-]c1sccc1C(=O)C(C)(C)C ZINC000133666690 495043462 /nfs/dbraw/zinc/04/34/62/495043462.db2.gz JSYRFEPUDFJSFN-UHFFFAOYSA-N -1 3 373.434 3.378 20 0 FGADHM O=C(CCc1ncc(-c2ccccc2F)o1)Nc1nnc(-c2ccco2)[n-]1 ZINC000128114159 495047286 /nfs/dbraw/zinc/04/72/86/495047286.db2.gz TVCGEGLHSNTFAE-UHFFFAOYSA-N -1 3 367.340 3.430 20 0 FGADHM O=C(CCc1ncc(-c2ccccc2F)o1)Nc1nc(-c2ccco2)n[n-]1 ZINC000128114159 495047290 /nfs/dbraw/zinc/04/72/90/495047290.db2.gz TVCGEGLHSNTFAE-UHFFFAOYSA-N -1 3 367.340 3.430 20 0 FGADHM O=C(CCc1ncc(-c2ccccc2F)o1)Nc1n[n-]c(-c2ccco2)n1 ZINC000128114159 495047293 /nfs/dbraw/zinc/04/72/93/495047293.db2.gz TVCGEGLHSNTFAE-UHFFFAOYSA-N -1 3 367.340 3.430 20 0 FGADHM COC(=O)c1cccc([N-]C(=O)c2cc(-c3ccc(C)cc3)no2)c1O ZINC000111198910 495048325 /nfs/dbraw/zinc/04/83/25/495048325.db2.gz XYCTWGKIKQHBFR-UHFFFAOYSA-N -1 3 352.346 3.395 20 0 FGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccnc(OC(C)C)c2)c1 ZINC000118952437 495056077 /nfs/dbraw/zinc/05/60/77/495056077.db2.gz NYZMROWJWOSBGA-UHFFFAOYSA-N -1 3 370.858 3.009 20 0 FGADHM COc1ccc(C2(CNC(=O)c3cc(C)ccc3[O-])CCOCC2)cc1 ZINC000098110400 495057231 /nfs/dbraw/zinc/05/72/31/495057231.db2.gz GFLDKNIUTUGTQF-UHFFFAOYSA-N -1 3 355.434 3.187 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)c2noc(-c3ccccc3)n2)c(F)c1 ZINC000128205884 495061073 /nfs/dbraw/zinc/06/10/73/495061073.db2.gz NOEJTIHEUFIHSD-LBPRGKRZSA-N -1 3 361.398 3.224 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)Cc1cccc(F)c1)c1noc(-c2ccccc2)n1 ZINC000128248696 495067256 /nfs/dbraw/zinc/06/72/56/495067256.db2.gz IZOHYOBHQFLDBS-GFCCVEGCSA-N -1 3 361.398 3.056 20 0 FGADHM CCCOc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])cc1 ZINC000123018168 495068240 /nfs/dbraw/zinc/06/82/40/495068240.db2.gz XBTSGHCQDFNGRE-GOSISDBHSA-N -1 3 368.433 3.424 20 0 FGADHM C[C@@H](CC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)C1CCCCC1 ZINC000101639140 495088936 /nfs/dbraw/zinc/08/89/36/495088936.db2.gz GAQMXMYFAFXLGR-INIZCTEOSA-N -1 3 358.482 3.283 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCCCC[C@H]2[C@H]2CCCCC2=O)c1 ZINC000123172417 495091701 /nfs/dbraw/zinc/09/17/01/495091701.db2.gz FMLGAAIFULPTMO-AEFFLSMTSA-N -1 3 372.465 3.495 20 0 FGADHM O=C(c1ccc([O-])cc1)N1CCN([C@H]2CCCc3ccc(F)cc32)CC1 ZINC000134013226 495093943 /nfs/dbraw/zinc/09/39/43/495093943.db2.gz PYRNXLHMKMLYCC-FQEVSTJZSA-N -1 3 354.425 3.367 20 0 FGADHM CCOc1nc2cc(C(=O)N3CCC(Cc4cccnc4)CC3)ccc2[n-]1 ZINC000568719299 505760563 /nfs/dbraw/zinc/76/05/63/505760563.db2.gz GYHYQYOHXQYVAY-UHFFFAOYSA-N -1 3 364.449 3.452 20 0 FGADHM CCOc1nc2ccc(C(=O)N3CCC(Cc4cccnc4)CC3)cc2[n-]1 ZINC000568719299 505760566 /nfs/dbraw/zinc/76/05/66/505760566.db2.gz GYHYQYOHXQYVAY-UHFFFAOYSA-N -1 3 364.449 3.452 20 0 FGADHM CCc1cccc(-c2nc(CC(=O)Nc3ccccc3OC)no2)c1[O-] ZINC000574389106 505762574 /nfs/dbraw/zinc/76/25/74/505762574.db2.gz WSKUAKAFCSNYHM-UHFFFAOYSA-N -1 3 353.378 3.194 20 0 FGADHM CC[C@H](C)[C@](C)(O)C[N-]S(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000119244550 495126198 /nfs/dbraw/zinc/12/61/98/495126198.db2.gz NBOINJDFSLWOAH-LKFCYVNXSA-N -1 3 370.298 3.077 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-][C@H]1c2cccc(F)c2CC[C@H]1C ZINC000123407199 495128056 /nfs/dbraw/zinc/12/80/56/495128056.db2.gz MADXLWUULJKWQX-MEBBXXQBSA-N -1 3 355.456 3.498 20 0 FGADHM Cc1ccc(C(=O)N2CCC(c3nc(-c4ccccn4)no3)CC2)c([O-])c1 ZINC000102310344 495128199 /nfs/dbraw/zinc/12/81/99/495128199.db2.gz DLFDMXYLARZWSB-UHFFFAOYSA-N -1 3 364.405 3.165 20 0 FGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)[C@@H]1SCCc2sccc21 ZINC000134289961 495130679 /nfs/dbraw/zinc/13/06/79/495130679.db2.gz QKXPYSUQJGNKOU-CYBMUJFWSA-N -1 3 366.464 3.444 20 0 FGADHM Cc1csc2nc(C)nc(NCCCNC(=O)c3cccc([O-])c3)c12 ZINC000123436443 495132062 /nfs/dbraw/zinc/13/20/62/495132062.db2.gz IUKYMGGYXNMNMA-UHFFFAOYSA-N -1 3 356.451 3.246 20 0 FGADHM O=S(=O)([N-]CC1(O)CCCCCC1)c1ccccc1C(F)(F)F ZINC000123456280 495134962 /nfs/dbraw/zinc/13/49/62/495134962.db2.gz LSVPXSIVZSFRNE-UHFFFAOYSA-N -1 3 351.390 3.069 20 0 FGADHM CC[C@@H]1CN(C(=O)c2cnc3c(cnn3C)c2[O-])CC[C@H]1c1ccccc1 ZINC000119306704 495138018 /nfs/dbraw/zinc/13/80/18/495138018.db2.gz NNIQRUOGJZOSSI-GDBMZVCRSA-N -1 3 364.449 3.330 20 0 FGADHM Cc1nnc(SCC(=O)Nc2cccc([O-])c2F)n1Cc1ccccc1 ZINC000128727650 495141500 /nfs/dbraw/zinc/14/15/00/495141500.db2.gz HDNRAPZXMOYMBO-UHFFFAOYSA-N -1 3 372.425 3.210 20 0 FGADHM Cc1c(C(=O)Nc2n[n-]c(-c3ccccc3F)n2)cnn1-c1ccccc1 ZINC000112115176 495144795 /nfs/dbraw/zinc/14/47/95/495144795.db2.gz SBYSKXROKIFNGF-UHFFFAOYSA-N -1 3 362.368 3.357 20 0 FGADHM CC[C@H](Cc1ccccc1)N(CC)C(=O)c1cnc2c(cnn2C)c1[O-] ZINC000119346926 495147353 /nfs/dbraw/zinc/14/73/53/495147353.db2.gz YPIGQRBYAWMPKW-OAHLLOKOSA-N -1 3 352.438 3.157 20 0 FGADHM Cc1cccn2cc(C[N-]S(=O)(=O)c3cc(C)c(F)cc3Cl)nc12 ZINC000128785783 495149704 /nfs/dbraw/zinc/14/97/04/495149704.db2.gz YFDJMKWTHLLVEP-UHFFFAOYSA-N -1 3 367.833 3.222 20 0 FGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1cccc(Br)c1 ZINC000123698403 495172986 /nfs/dbraw/zinc/17/29/86/495172986.db2.gz OONHZXGGDZGAQB-UHFFFAOYSA-N -1 3 364.243 3.391 20 0 FGADHM CCc1nc([C@@H](C)[N-]S(=O)(=O)c2cc(OC)ccc2Cl)cs1 ZINC000112362507 495180706 /nfs/dbraw/zinc/18/07/06/495180706.db2.gz UXBCILDRGOXAGN-SECBINFHSA-N -1 3 360.888 3.407 20 0 FGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]c3c(F)cccc3CO)cc2)co1 ZINC000134664619 495183975 /nfs/dbraw/zinc/18/39/75/495183975.db2.gz VZPYHEOHOXFLCI-UHFFFAOYSA-N -1 3 362.382 3.082 20 0 FGADHM O=S(=O)([N-]c1c(F)cccc1CO)c1cc(Cl)cc(Cl)c1 ZINC000134665653 495184100 /nfs/dbraw/zinc/18/41/00/495184100.db2.gz SPAORADHLVUKST-UHFFFAOYSA-N -1 3 350.198 3.426 20 0 FGADHM CN(C(=O)Cc1nc(=O)c2cc(C(C)(C)C)sc2[n-]1)c1ccccc1 ZINC000112404558 495185442 /nfs/dbraw/zinc/18/54/42/495185442.db2.gz JIUAKZHYKCLTLF-UHFFFAOYSA-N -1 3 355.463 3.488 20 0 FGADHM Cn1ccnc1-c1cc(NC(=O)c2ccc(Oc3ccccc3)nc2)n[n-]1 ZINC000119553625 495189247 /nfs/dbraw/zinc/18/92/47/495189247.db2.gz BYKHIMYUUPVLQC-UHFFFAOYSA-N -1 3 360.377 3.250 20 0 FGADHM Cn1ccnc1-c1cc(NC(=O)c2ccc(Oc3ccccc3)nc2)[n-]n1 ZINC000119553625 495189248 /nfs/dbraw/zinc/18/92/48/495189248.db2.gz BYKHIMYUUPVLQC-UHFFFAOYSA-N -1 3 360.377 3.250 20 0 FGADHM Cc1cccc(C(=O)NCc2ccc(NC(=O)c3cccnc3)cc2)c1[O-] ZINC000123880526 495201608 /nfs/dbraw/zinc/20/16/08/495201608.db2.gz OQLVTOZQHUBBRQ-UHFFFAOYSA-N -1 3 361.401 3.278 20 0 FGADHM C[C@@H](NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C(C)(C)C ZINC000112639012 495215834 /nfs/dbraw/zinc/21/58/34/495215834.db2.gz BSVLQSIHVHHFRH-SECBINFHSA-N -1 3 351.244 3.455 20 0 FGADHM 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/nfs/dbraw/zinc/79/82/72/495798272.db2.gz XIKACMXNMVEBKA-UHFFFAOYSA-N -1 3 358.405 3.277 20 0 FGADHM CC(C)(C(=O)Nc1ccc(F)c([N-]S(C)(=O)=O)c1)c1ccc(F)cc1 ZINC000171273832 495800350 /nfs/dbraw/zinc/80/03/50/495800350.db2.gz PVEVCUJATWHIQX-UHFFFAOYSA-N -1 3 368.405 3.253 20 0 FGADHM COc1ccc(C(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)c([O-])c1 ZINC000174051022 495803277 /nfs/dbraw/zinc/80/32/77/495803277.db2.gz JDNIEHGEEGSJJA-KRWDZBQOSA-N -1 3 354.450 3.137 20 0 FGADHM CCOc1ccccc1[C@@H](CC(=O)Nc1c(C)cccc1[O-])NC(C)=O ZINC000183026711 495804304 /nfs/dbraw/zinc/80/43/04/495804304.db2.gz CVBBBPOACPWAJZ-MRXNPFEDSA-N -1 3 356.422 3.305 20 0 FGADHM Cc1nc(C)c(S(=O)(=O)[N-][C@H]2CCCOc3c(F)cccc32)s1 ZINC000179978551 495808793 /nfs/dbraw/zinc/80/87/93/495808793.db2.gz KWHWLVQMTUUJAE-ZDUSSCGKSA-N -1 3 356.444 3.091 20 0 FGADHM CN(C)c1ccc(C(=O)NCc2ccc([O-])c(Br)c2)c(F)c1 ZINC000151397538 495827286 /nfs/dbraw/zinc/82/72/86/495827286.db2.gz RCEFMQRMIXYKOY-UHFFFAOYSA-N -1 3 367.218 3.290 20 0 FGADHM 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/nfs/dbraw/zinc/88/27/12/495882712.db2.gz OFCQOMFZSPJCSA-ZDUSSCGKSA-N -1 3 371.462 3.177 20 0 FGADHM Cc1cc2occ(C(=O)NCCCNC(=O)c3cccc([O-])c3)c2cc1C ZINC000186176145 495884894 /nfs/dbraw/zinc/88/48/94/495884894.db2.gz LJCSPQOFQMFQHY-UHFFFAOYSA-N -1 3 366.417 3.305 20 0 FGADHM O=S(=O)([N-]c1ccncc1F)c1ccc(OC(F)F)c(Cl)c1 ZINC000180167022 495889758 /nfs/dbraw/zinc/88/97/58/495889758.db2.gz RJCWZYFDLMJFJK-UHFFFAOYSA-N -1 3 352.721 3.276 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)C[C@@H](C)c1ccccc1)c1nc(C(C)(C)C)no1 ZINC000151601297 495890290 /nfs/dbraw/zinc/89/02/90/495890290.db2.gz WUNQSFSGWJETPV-CHWSQXEVSA-N -1 3 351.472 3.151 20 0 FGADHM O=S(=O)([N-][C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)c1ccccc1F ZINC000180178540 495893001 /nfs/dbraw/zinc/89/30/01/495893001.db2.gz NBHWLRCYUJUJAM-GDBMZVCRSA-N -1 3 373.808 3.427 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N3CCC(C(F)(F)F)CC3)c[n-]c12 ZINC000155268355 495897881 /nfs/dbraw/zinc/89/78/81/495897881.db2.gz WAYWRHGAYQVPRD-UHFFFAOYSA-N -1 3 356.319 3.390 20 0 FGADHM O=C(Nc1ccc([O-])cc1F)[C@@H]1COc2ccc(Br)cc21 ZINC000183247284 495898730 /nfs/dbraw/zinc/89/87/30/495898730.db2.gz QDTQCLHCHSUFBB-LLVKDONJSA-N -1 3 352.159 3.409 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N(Cc3cccnc3)C3CC3)c[n-]c12 ZINC000155271704 495898698 /nfs/dbraw/zinc/89/86/98/495898698.db2.gz VPBVBYHADZZIGF-UHFFFAOYSA-N -1 3 351.381 3.175 20 0 FGADHM CCOC(=O)c1cc(NC(=O)c2csc(Cc3ccc(F)cc3)n2)n[n-]1 ZINC000183282202 495914623 /nfs/dbraw/zinc/91/46/23/495914623.db2.gz IIEAOEUBYBVTLH-UHFFFAOYSA-N -1 3 374.397 3.025 20 0 FGADHM CCOC(=O)c1cc(NC(=O)c2csc(Cc3ccc(F)cc3)n2)[n-]n1 ZINC000183282202 495914624 /nfs/dbraw/zinc/91/46/24/495914624.db2.gz IIEAOEUBYBVTLH-UHFFFAOYSA-N -1 3 374.397 3.025 20 0 FGADHM CC(=O)Nc1ccc(S(=O)(=O)[N-][C@@H](CC(C)(C)C)C(F)(F)F)cc1 ZINC000183298331 495920002 /nfs/dbraw/zinc/92/00/02/495920002.db2.gz NONVPYDXMZUAKQ-ZDUSSCGKSA-N -1 3 366.405 3.290 20 0 FGADHM CCC(CC)NC(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000183300766 495921349 /nfs/dbraw/zinc/92/13/49/495921349.db2.gz ZFTBDKZAGRRMQE-UHFFFAOYSA-N -1 3 361.467 3.257 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N(CC(F)F)C(C)C)c1 ZINC000183309251 495925294 /nfs/dbraw/zinc/92/52/94/495925294.db2.gz XSRJMSKZXXHYGE-UHFFFAOYSA-N -1 3 367.352 3.057 20 0 FGADHM O=C([N-]c1ccc(Cl)c(F)c1)c1nc(-c2ccc3c(c2)CC(=O)N3)no1 ZINC000580681238 505812810 /nfs/dbraw/zinc/81/28/10/505812810.db2.gz SYDPWMKVXPKJBT-UHFFFAOYSA-N -1 3 372.743 3.276 20 0 FGADHM COCc1ccccc1CNC(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000155384245 495939786 /nfs/dbraw/zinc/93/97/86/495939786.db2.gz MKJVUIKTUSPKGU-UHFFFAOYSA-N -1 3 354.381 3.052 20 0 FGADHM C[C@H]1CCN(C(=O)c2ccnc(O[C@@H]3CCOC3)c2)c2c([O-])cccc21 ZINC000186322922 495947460 /nfs/dbraw/zinc/94/74/60/495947460.db2.gz ZARJUEJYXKFAPY-DZGCQCFKSA-N -1 3 354.406 3.109 20 0 FGADHM CCC(CC)[N-]S(=O)(=O)c1cc(F)c(Br)cc1OC ZINC000183368723 495949801 /nfs/dbraw/zinc/94/98/01/495949801.db2.gz CZCLDHKNWFBPSV-UHFFFAOYSA-N -1 3 354.241 3.064 20 0 FGADHM C[C@@H]1CCN(C(=O)c2cc(N3CCNC3=O)ccc2F)c2c([O-])cccc21 ZINC000186330224 495951251 /nfs/dbraw/zinc/95/12/51/495951251.db2.gz REAZGKSQMBFDHJ-GFCCVEGCSA-N -1 3 369.396 3.215 20 0 FGADHM Cc1c([O-])ccc2c(CN3CCC[C@@H]3C[C@H](O)c3ccco3)cc(=O)oc12 ZINC000151861174 495972690 /nfs/dbraw/zinc/97/26/90/495972690.db2.gz YVHCOHIDUDQAGO-QAPCUYQASA-N -1 3 369.417 3.488 20 0 FGADHM CC(C)[C@H](NC(=O)NCc1ccc([O-])c(F)c1)c1ccc2c(c1)OCCO2 ZINC000155524091 495982539 /nfs/dbraw/zinc/98/25/39/495982539.db2.gz QIOGLLYGQMTXIT-IBGZPJMESA-N -1 3 374.412 3.499 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N(C)Cc2ccc(Cl)c(F)c2)c1 ZINC000155546241 495990179 /nfs/dbraw/zinc/99/01/79/495990179.db2.gz LFKHOTMVEWCQLH-UHFFFAOYSA-N -1 3 350.777 3.415 20 0 FGADHM CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000155566620 495997496 /nfs/dbraw/zinc/99/74/96/495997496.db2.gz WCGQDFVNMZDBCH-UHFFFAOYSA-N -1 3 370.394 3.139 20 0 FGADHM CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000155566620 495997497 /nfs/dbraw/zinc/99/74/97/495997497.db2.gz WCGQDFVNMZDBCH-UHFFFAOYSA-N -1 3 370.394 3.139 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3cccc(C[S@](C)=O)c3)c[n-]c12 ZINC000151998266 496017191 /nfs/dbraw/zinc/01/71/91/496017191.db2.gz FEVSOSIHMDYNNI-AREMUKBSSA-N -1 3 372.421 3.106 20 0 FGADHM O=C(Nc1ccc(Cl)cc1C(=O)N1CCCC1)c1cccc2nn[n-]c21 ZINC000183530845 496020875 /nfs/dbraw/zinc/02/08/75/496020875.db2.gz RHXNENRHLCKNFQ-UHFFFAOYSA-N -1 3 369.812 3.100 20 0 FGADHM O=C(Nc1ccc(Cl)cc1C(=O)N1CCCC1)c1cccc2[n-]nnc21 ZINC000183530845 496020882 /nfs/dbraw/zinc/02/08/82/496020882.db2.gz RHXNENRHLCKNFQ-UHFFFAOYSA-N -1 3 369.812 3.100 20 0 FGADHM O=C(Nc1ccc(Cl)cc1C(=O)N1CCCC1)c1cccc2n[n-]nc21 ZINC000183530845 496020884 /nfs/dbraw/zinc/02/08/84/496020884.db2.gz RHXNENRHLCKNFQ-UHFFFAOYSA-N -1 3 369.812 3.100 20 0 FGADHM COc1ccc(C(=O)CCC(=O)N2CCCc3cccc([O-])c32)cc1F ZINC000155638795 496021601 /nfs/dbraw/zinc/02/16/01/496021601.db2.gz DHPKQUAFSWPUGA-UHFFFAOYSA-N -1 3 357.381 3.482 20 0 FGADHM CCN(C(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1)C(C)C ZINC000183578344 496037977 /nfs/dbraw/zinc/03/79/77/496037977.db2.gz LDAHXEVRCIQPIA-UHFFFAOYSA-N -1 3 361.467 3.209 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1)c1nc(C2CCCCC2)no1 ZINC000171795252 496039340 /nfs/dbraw/zinc/03/93/40/496039340.db2.gz QVHKCECCJABOTQ-LLVKDONJSA-N -1 3 353.419 3.296 20 0 FGADHM C[C@@H](NC(=O)c1c[n-]nc1-c1ccc(Cl)s1)C(=O)OC(C)(C)C ZINC000186555144 496042301 /nfs/dbraw/zinc/04/23/01/496042301.db2.gz UGNNYMRXPWKILB-MRVPVSSYSA-N -1 3 355.847 3.252 20 0 FGADHM CCCN(CC1CC1)C(=O)Cc1csc(NC(=O)c2cccc([O-])c2)n1 ZINC000177391905 496043619 /nfs/dbraw/zinc/04/36/19/496043619.db2.gz CPUCUMAGTYRPAL-UHFFFAOYSA-N -1 3 373.478 3.292 20 0 FGADHM Cc1csc(Nc2cccc([N-]S(=O)(=O)C[C@H]3CCCO3)c2)n1 ZINC000171807307 496044055 /nfs/dbraw/zinc/04/40/55/496044055.db2.gz URJQMWMKAZNRDK-CQSZACIVSA-N -1 3 353.469 3.116 20 0 FGADHM O=C(C[N-]S(=O)(=O)c1ccccc1F)Nc1ccc(C2CCC2)cc1 ZINC000571816098 505820685 /nfs/dbraw/zinc/82/06/85/505820685.db2.gz ZKDYBBJXTLGCOB-UHFFFAOYSA-N -1 3 362.426 3.010 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N[C@H]3[C@@H]4CCO[C@@H]4C34CCCC4)c[n-]c12 ZINC000152179253 496072244 /nfs/dbraw/zinc/07/22/44/496072244.db2.gz MFIVAZMLKYUCAD-AGRHKRQWSA-N -1 3 370.424 3.053 20 0 FGADHM O=S(=O)(C[C@@H]1CCCCO1)[N-]c1c(F)cc(Br)cc1F ZINC000174742661 496085376 /nfs/dbraw/zinc/08/53/76/496085376.db2.gz QHNZVZDERQOVHF-VIFPVBQESA-N -1 3 370.215 3.038 20 0 FGADHM Cn1cc(CNC(=O)Cc2ccc([O-])cc2Cl)c(-c2ccccc2)n1 ZINC000180659546 496091143 /nfs/dbraw/zinc/09/11/43/496091143.db2.gz CXINCKFCKXYGLN-UHFFFAOYSA-N -1 3 355.825 3.305 20 0 FGADHM CCCN(C(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1)C1CC1 ZINC000183727572 496095484 /nfs/dbraw/zinc/09/54/84/496095484.db2.gz UKVGERXCABHNJU-UHFFFAOYSA-N -1 3 373.478 3.353 20 0 FGADHM CC[C@](C)([N-]S(=O)(=O)c1ccc(OC)cc1Cl)c1nccs1 ZINC000568981939 505822922 /nfs/dbraw/zinc/82/29/22/505822922.db2.gz WKSVFZXQPIORJV-AWEZNQCLSA-N -1 3 360.888 3.409 20 0 FGADHM O=S(=O)(Cc1ccccc1F)[N-][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000180735242 496123170 /nfs/dbraw/zinc/12/31/70/496123170.db2.gz ROSDHRQHVQWAOG-DLBZAZTESA-N -1 3 371.380 3.054 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3ccc(OC4COC4)cc3)c[n-]c12 ZINC000186740305 496130441 /nfs/dbraw/zinc/13/04/41/496130441.db2.gz BJTGXAVZMFSBQM-UHFFFAOYSA-N -1 3 368.364 3.006 20 0 FGADHM CC[C@H](c1ccccc1)S(=O)(=O)Cc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000156012201 496132248 /nfs/dbraw/zinc/13/22/48/496132248.db2.gz OCTJKFPFPSAJOE-LLVKDONJSA-N -1 3 360.357 3.267 20 0 FGADHM CCc1ccc(NC(=O)Cc2c(C)nc(-c3ccncc3)[n-]c2=O)cc1F ZINC000152389700 496136766 /nfs/dbraw/zinc/13/67/66/496136766.db2.gz SLUGGNYRPNBCEE-UHFFFAOYSA-N -1 3 366.396 3.023 20 0 FGADHM Cc1cc(=O)c(C(=O)[N-]c2cc(-c3ccc(OC(F)F)cc3)no2)c[nH]1 ZINC000177639949 496142305 /nfs/dbraw/zinc/14/23/05/496142305.db2.gz SAAIICBAPCJLKL-UHFFFAOYSA-N -1 3 361.304 3.192 20 0 FGADHM Cc1noc(C)c1S(=O)(=O)[N-][C@H]1CCCOc2cc(Cl)ccc21 ZINC000180786554 496145031 /nfs/dbraw/zinc/14/50/31/496145031.db2.gz IAARKVHBZDEDMH-ZDUSSCGKSA-N -1 3 356.831 3.137 20 0 FGADHM COC(=O)c1ccc(-c2nc(C[S@](=O)c3ccc([O-])cc3)co2)cc1 ZINC000180805633 496153748 /nfs/dbraw/zinc/15/37/48/496153748.db2.gz SDCPKBPOSGVICO-VWLOTQADSA-N -1 3 357.387 3.142 20 0 FGADHM Cc1ccc(C(=O)NC2CC2)cc1NC([O-])=NOCc1ccc(F)cc1 ZINC000183927063 496164382 /nfs/dbraw/zinc/16/43/82/496164382.db2.gz RUZAGUFECHYNMH-UHFFFAOYSA-N -1 3 357.385 3.280 20 0 FGADHM Cc1ccc(C(=O)NC2CC2)cc1NC(=O)[N-]OCc1ccc(F)cc1 ZINC000183927063 496164386 /nfs/dbraw/zinc/16/43/86/496164386.db2.gz RUZAGUFECHYNMH-UHFFFAOYSA-N -1 3 357.385 3.280 20 0 FGADHM CCc1cccc(C)c1NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000177732170 496175506 /nfs/dbraw/zinc/17/55/06/496175506.db2.gz LHHYOMXUXJJBBN-ZDUSSCGKSA-N -1 3 364.442 3.002 20 0 FGADHM CC(=O)Nc1cccc(CS(=O)(=O)c2nc(C)c(-c3ccccc3)[n-]2)c1 ZINC000186852073 496180845 /nfs/dbraw/zinc/18/08/45/496180845.db2.gz RJIRKJBVJHOGNK-UHFFFAOYSA-N -1 3 369.446 3.317 20 0 FGADHM CC(=O)Nc1cccc(CS(=O)(=O)c2nc(-c3ccccc3)c(C)[n-]2)c1 ZINC000186852073 496180848 /nfs/dbraw/zinc/18/08/48/496180848.db2.gz RJIRKJBVJHOGNK-UHFFFAOYSA-N -1 3 369.446 3.317 20 0 FGADHM O=C(c1ccccc1[O-])N1CCN(Cc2csc(-c3ccoc3)n2)CC1 ZINC000177749905 496182527 /nfs/dbraw/zinc/18/25/27/496182527.db2.gz VXCOLFVJPXNGQW-UHFFFAOYSA-N -1 3 369.446 3.067 20 0 FGADHM C[C@@H](NC(=O)CS(=O)(=O)c1cccc([O-])c1)c1ccc2ccccc2c1 ZINC000183982186 496187374 /nfs/dbraw/zinc/18/73/74/496187374.db2.gz SVTAMDHFVDRFAK-CQSZACIVSA-N -1 3 369.442 3.197 20 0 FGADHM CCN(CC)[C@@H](CNC(=O)NCc1ccc([O-])c(F)c1)c1ccsc1 ZINC000156259873 496200469 /nfs/dbraw/zinc/20/04/69/496200469.db2.gz MLINHAAIGVEATI-INIZCTEOSA-N -1 3 365.474 3.475 20 0 FGADHM CC[C@H]1CCN(C(=O)Cc2csc(NC(=O)c3cc(C)ccc3[O-])n2)C1 ZINC000184012935 496200930 /nfs/dbraw/zinc/20/09/30/496200930.db2.gz GPSRRGPUHQPKEM-ZDUSSCGKSA-N -1 3 373.478 3.210 20 0 FGADHM CCOC(=O)c1cc(NC(=O)[C@H]2C[C@H]2c2ccc(C(F)(F)F)cc2)n[n-]1 ZINC000180935219 496205735 /nfs/dbraw/zinc/20/57/35/496205735.db2.gz DCTIKFLGWJIVDS-RYUDHWBXSA-N -1 3 367.327 3.347 20 0 FGADHM CCOC(=O)c1cc(NC(=O)[C@H]2C[C@H]2c2ccc(C(F)(F)F)cc2)[n-]n1 ZINC000180935219 496205741 /nfs/dbraw/zinc/20/57/41/496205741.db2.gz DCTIKFLGWJIVDS-RYUDHWBXSA-N -1 3 367.327 3.347 20 0 FGADHM COc1cc(C(=O)N2CC[C@H](c3c(F)cccc3F)C2)cc(OC)c1[O-] ZINC000184028800 496210093 /nfs/dbraw/zinc/21/00/93/496210093.db2.gz ISIHGGDNJQRJQI-NSHDSACASA-N -1 3 363.360 3.317 20 0 FGADHM COc1nc2ccc([N-]S(=O)(=O)c3ccc(N(C)C)cc3)cc2s1 ZINC000569011539 505829848 /nfs/dbraw/zinc/82/98/48/505829848.db2.gz FHUZCVIYDVYBPL-UHFFFAOYSA-N -1 3 363.464 3.172 20 0 FGADHM C[C@H](CC(=O)c1cccc(Br)c1)C(=O)Nc1ncccc1[O-] ZINC000175024831 496213820 /nfs/dbraw/zinc/21/38/20/496213820.db2.gz CEOQUQIWFLBAQN-SNVBAGLBSA-N -1 3 363.211 3.397 20 0 FGADHM COc1cc(C(=O)Nc2cc(C)n(-c3cccc(F)c3)n2)cc(OC)c1[O-] ZINC000180965745 496222254 /nfs/dbraw/zinc/22/22/54/496222254.db2.gz DVUVUXBCXNAHSO-UHFFFAOYSA-N -1 3 371.368 3.295 20 0 FGADHM CCc1ccc(CN2CCC([N-]S(=O)(=O)c3cccs3)CC2)cc1 ZINC000172243004 496224229 /nfs/dbraw/zinc/22/42/29/496224229.db2.gz HUIWTQUIMSTJJU-UHFFFAOYSA-N -1 3 364.536 3.253 20 0 FGADHM C[C@@H]1CCCN1C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000184091795 496233125 /nfs/dbraw/zinc/23/31/25/496233125.db2.gz UNNPFEGHABAGKQ-BEFAXECRSA-N -1 3 352.434 3.264 20 0 FGADHM CCOC(=O)c1sc([C@@H](C)[N-]S(=O)(=O)CCC(C)(C)C)nc1C ZINC000152761214 496248829 /nfs/dbraw/zinc/24/88/29/496248829.db2.gz DKJFWKRIRNBDBV-LLVKDONJSA-N -1 3 362.517 3.045 20 0 FGADHM C[C@H](NC(=O)[C@H](C)N1CC[C@@H](C)[C@H](C(=O)[O-])C1)c1cccc2ccccc21 ZINC000574691186 505832840 /nfs/dbraw/zinc/83/28/40/505832840.db2.gz RRLKNEZGAFKFLM-NARAOEGZSA-N -1 3 368.477 3.448 20 0 FGADHM CCCC(=O)Nc1ccc(CNC(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000156513847 496266930 /nfs/dbraw/zinc/26/69/30/496266930.db2.gz YTSPBOHCWBWQOK-UHFFFAOYSA-N -1 3 359.401 3.269 20 0 FGADHM Cc1cnc([C@H]([N-]S(=O)(=O)Cc2ccc(C)c(F)c2)C2CC2)s1 ZINC000184170017 496268284 /nfs/dbraw/zinc/26/82/84/496268284.db2.gz OZSDLBTZFRLPRB-OAHLLOKOSA-N -1 3 354.472 3.470 20 0 FGADHM Cc1cccc2c(=O)c(C(=O)Nc3nnc(C(F)(F)F)s3)c[n-]c12 ZINC000161958170 496270190 /nfs/dbraw/zinc/27/01/90/496270190.db2.gz CVAJMQDRLJQBIS-UHFFFAOYSA-N -1 3 354.313 3.371 20 0 FGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@@H](C)CCC(C)(C)C ZINC000172387837 496278712 /nfs/dbraw/zinc/27/87/12/496278712.db2.gz GWIDTCOGLNEGDO-AWEZNQCLSA-N -1 3 370.497 3.404 20 0 FGADHM CN1CCC(Oc2ccc(CN=c3nc(-c4ccccc4)o[n-]3)cc2)CC1 ZINC000569032193 505834185 /nfs/dbraw/zinc/83/41/85/505834185.db2.gz IZTZWUNKNHDDJN-UHFFFAOYSA-N -1 3 364.449 3.244 20 0 FGADHM O=C(Nc1cnn(CC(F)F)c1)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000187076417 496281511 /nfs/dbraw/zinc/28/15/11/496281511.db2.gz NJPDVOCFBXSLTN-UHFFFAOYSA-N -1 3 371.343 3.337 20 0 FGADHM CCCc1nc(=NC(=O)NC[C@H](c2ccccc2)N(CC)CC)s[n-]1 ZINC000569036969 505834813 /nfs/dbraw/zinc/83/48/13/505834813.db2.gz CKECETVYEAQXHT-OAHLLOKOSA-N -1 3 361.515 3.117 20 0 FGADHM O=C(c1cc(Br)ccc1[O-])N1CCCN(C2CCCC2)CC1 ZINC000172413127 496288537 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496529796 /nfs/dbraw/zinc/52/97/96/496529796.db2.gz FTIGUEDAUCKWBB-SSDOTTSWSA-N -1 3 372.244 3.153 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)N1CCO[C@@H](c2ccccc2Cl)C1 ZINC000163712953 496550184 /nfs/dbraw/zinc/55/01/84/496550184.db2.gz PGJCILBYWXYBBE-QGZVFWFLSA-N -1 3 364.804 3.468 20 0 FGADHM CCS(=O)(=O)c1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2[O-])cc1 ZINC000175817430 496557896 /nfs/dbraw/zinc/55/78/96/496557896.db2.gz PEJBKXAMEGARDK-UHFFFAOYSA-N -1 3 373.352 3.457 20 0 FGADHM COc1cccc(-c2nc(-c3ccc(-n4nc(C)cc4C)nc3)no2)c1[O-] ZINC000184855613 496559818 /nfs/dbraw/zinc/55/98/18/496559818.db2.gz XTPVOMKUNOXPMR-UHFFFAOYSA-N -1 3 363.377 3.315 20 0 FGADHM COc1ccccc1SC[C@H](C)CNC(=O)c1cccc2nn[n-]c21 ZINC000187775772 496567587 /nfs/dbraw/zinc/56/75/87/496567587.db2.gz YCQXSDYGMHEOFO-GFCCVEGCSA-N -1 3 356.451 3.125 20 0 FGADHM COc1ccccc1SC[C@H](C)CNC(=O)c1cccc2[n-]nnc21 ZINC000187775772 496567593 /nfs/dbraw/zinc/56/75/93/496567593.db2.gz YCQXSDYGMHEOFO-GFCCVEGCSA-N -1 3 356.451 3.125 20 0 FGADHM 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AWTOVSSRWSOPKX-QFIPXVFZSA-N -1 3 350.387 3.328 20 0 FGADHM Cc1cc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)c[nH]c1=O ZINC000158321101 496676580 /nfs/dbraw/zinc/67/65/80/496676580.db2.gz LCXAFZCOBUEEIT-UHFFFAOYSA-N -1 3 366.748 3.156 20 0 FGADHM O=C([O-])c1ccc(CN2CCC[C@H]3COCC[C@H]32)c(Br)c1 ZINC000569130775 505859572 /nfs/dbraw/zinc/85/95/72/505859572.db2.gz YIZGHMFRFPYZSY-DZGCQCFKSA-N -1 3 354.244 3.148 20 0 FGADHM COc1cccc(OC)c1CC(=O)Nc1cc(Br)ccc1[O-] ZINC000154114629 496687875 /nfs/dbraw/zinc/68/78/75/496687875.db2.gz JHDCMYYMDMLBTR-UHFFFAOYSA-N -1 3 366.211 3.353 20 0 FGADHM COc1ccccc1[C@@H](NC(=O)/C=C/c1cncc([O-])c1)c1ccccn1 ZINC000182165985 496694003 /nfs/dbraw/zinc/69/40/03/496694003.db2.gz GLWHOZUUEZMFGZ-LCCNJJIFSA-N -1 3 361.401 3.110 20 0 FGADHM C[C@@H]1CCCN(CCNC(=O)c2ccc(C(=O)c3cccc([O-])c3)cc2)C1 ZINC000188134032 496696876 /nfs/dbraw/zinc/69/68/76/496696876.db2.gz OBOHRWDNWMRSDH-MRXNPFEDSA-N -1 3 366.461 3.085 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)[C@@H]3C[C@H]3c3ccc(F)cc3F)[n-]c21 ZINC000158442229 496702549 /nfs/dbraw/zinc/70/25/49/496702549.db2.gz CVDKACWLKRIVPC-QWHCGFSZSA-N -1 3 371.343 3.370 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@@H]3C[C@H]3c3ccc(F)cc3F)nc21 ZINC000158442229 496702552 /nfs/dbraw/zinc/70/25/52/496702552.db2.gz CVDKACWLKRIVPC-QWHCGFSZSA-N -1 3 371.343 3.370 20 0 FGADHM COC(=O)c1cc(C)nc2nc(SCc3cc(F)ccc3C)[n-]c(=O)c21 ZINC000188195380 496713614 /nfs/dbraw/zinc/71/36/14/496713614.db2.gz UJMSXXQGMUVBOZ-UHFFFAOYSA-N -1 3 373.409 3.153 20 0 FGADHM Cc1ccc(-c2c[nH]cc2C(=O)Nc2nnc(-c3ccccn3)[n-]2)s1 ZINC000188202002 496715125 /nfs/dbraw/zinc/71/51/25/496715125.db2.gz QNUQZEAXDQYDLC-UHFFFAOYSA-N -1 3 350.407 3.484 20 0 FGADHM Cc1ccc(-c2c[nH]cc2C(=O)Nc2nc(-c3ccccn3)n[n-]2)s1 ZINC000188202002 496715128 /nfs/dbraw/zinc/71/51/28/496715128.db2.gz QNUQZEAXDQYDLC-UHFFFAOYSA-N -1 3 350.407 3.484 20 0 FGADHM Cc1ccc(-c2c[nH]cc2C(=O)Nc2n[n-]c(-c3ccccn3)n2)s1 ZINC000188202002 496715132 /nfs/dbraw/zinc/71/51/32/496715132.db2.gz QNUQZEAXDQYDLC-UHFFFAOYSA-N -1 3 350.407 3.484 20 0 FGADHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(F)(F)F)nc2)c(F)c1 ZINC000182264882 496723613 /nfs/dbraw/zinc/72/36/13/496723613.db2.gz QMLJPXFRSPFGOL-UHFFFAOYSA-N -1 3 364.320 3.271 20 0 FGADHM O=C(Cc1ccc([O-])cc1Cl)N(Cc1ccncc1)C[C@@H]1CCCO1 ZINC000182276289 496725074 /nfs/dbraw/zinc/72/50/74/496725074.db2.gz ADHLWGCGLIITIK-KRWDZBQOSA-N -1 3 360.841 3.191 20 0 FGADHM O=C(Nc1ccc(CCN2CCOCC2)cc1)c1cc([O-])ccc1Cl ZINC000277330252 496737753 /nfs/dbraw/zinc/73/77/53/496737753.db2.gz GHUJIWGPBCLJCK-UHFFFAOYSA-N -1 3 360.841 3.173 20 0 FGADHM COc1ccc(CN[C@@H](Cc2cc(C)cc(C)c2)C(=O)[O-])c(OC)c1OC ZINC000277339080 496741111 /nfs/dbraw/zinc/74/11/11/496741111.db2.gz OTDFJQAOVYHHFI-KRWDZBQOSA-N -1 3 373.449 3.115 20 0 FGADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)C3C[C@H]4CCC[C@@H](C3)C4=O)cc2)n1 ZINC000194923963 496762760 /nfs/dbraw/zinc/76/27/60/496762760.db2.gz KBGRNPAJKCTFMK-XYPWUTKMSA-N -1 3 365.433 3.079 20 0 FGADHM CC[C@H](C)c1cc(C(=O)[N-]c2ccc(Cl)c(S(C)(=O)=O)c2)on1 ZINC000191446981 496765685 /nfs/dbraw/zinc/76/56/85/496765685.db2.gz MWBPYWCWACMQLJ-VIFPVBQESA-N -1 3 356.831 3.497 20 0 FGADHM COc1ccc(CNC[C@H](Cc2ccc(C)cc2)C(=O)[O-])c(OC)c1OC ZINC000277423137 496768651 /nfs/dbraw/zinc/76/86/51/496768651.db2.gz SYSHXVYVFMVNGX-KRWDZBQOSA-N -1 3 373.449 3.054 20 0 FGADHM CCn1nc(CN[C@H](Cc2cc(C)cc(C)c2)C(=O)[O-])c2ccccc21 ZINC000277437985 496773182 /nfs/dbraw/zinc/77/31/82/496773182.db2.gz UITFAJOTISEGBO-GOSISDBHSA-N -1 3 351.450 3.459 20 0 FGADHM CCOC[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)C(C)C ZINC000188393484 496774350 /nfs/dbraw/zinc/77/43/50/496774350.db2.gz HYCCDHRNHNQLGB-LBPRGKRZSA-N -1 3 357.369 3.184 20 0 FGADHM Cc1ccccc1C(=O)NC1CCN(C(=O)c2cc([O-])ccc2Cl)CC1 ZINC000277457595 496780490 /nfs/dbraw/zinc/78/04/90/496780490.db2.gz ORZHAHREJGDVKX-UHFFFAOYSA-N -1 3 372.852 3.389 20 0 FGADHM COc1cccc(-c2nc([C@H]3CN(Cc4ccccc4)CCO3)no2)c1[O-] ZINC000273374499 496787342 /nfs/dbraw/zinc/78/73/42/496787342.db2.gz DMNUYKUOIRQSAR-QGZVFWFLSA-N -1 3 367.405 3.024 20 0 FGADHM Cc1ccc(-c2c[nH]cc2C(=O)Nc2cc(-c3nccn3C)[n-]n2)s1 ZINC000188468955 496799953 /nfs/dbraw/zinc/79/99/53/496799953.db2.gz HMWJMCMHVGZNDL-UHFFFAOYSA-N -1 3 352.423 3.428 20 0 FGADHM Cc1ccc(-c2c[nH]cc2C(=O)Nc2cc(-c3nccn3C)n[n-]2)s1 ZINC000188468955 496799954 /nfs/dbraw/zinc/79/99/54/496799954.db2.gz HMWJMCMHVGZNDL-UHFFFAOYSA-N -1 3 352.423 3.428 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)c1 ZINC000273416973 496800529 /nfs/dbraw/zinc/80/05/29/496800529.db2.gz QZNLNLUZAJPZAA-VQIMIIECSA-N -1 3 372.396 3.140 20 0 FGADHM CCOc1ccccc1NC([O-])=NOC[C@@H](C)NC(=O)OC(C)(C)C ZINC000273437005 496806204 /nfs/dbraw/zinc/80/62/04/496806204.db2.gz QHEPQXFXFBESSD-GFCCVEGCSA-N -1 3 353.419 3.052 20 0 FGADHM CCOc1ccccc1NC(=O)[N-]OC[C@@H](C)NC(=O)OC(C)(C)C ZINC000273437005 496806210 /nfs/dbraw/zinc/80/62/10/496806210.db2.gz QHEPQXFXFBESSD-GFCCVEGCSA-N -1 3 353.419 3.052 20 0 FGADHM CCc1ccc(C(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)c([O-])c1 ZINC000188511695 496815236 /nfs/dbraw/zinc/81/52/36/496815236.db2.gz DMNASWNQIDZCPX-HNNXBMFYSA-N -1 3 353.466 3.305 20 0 FGADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@H]2CC[C@H](C)CC2)cc1Cl ZINC000247258466 496818207 /nfs/dbraw/zinc/81/82/07/496818207.db2.gz WSVYALQXVJYOAT-HOMQSWHASA-N -1 3 362.854 3.295 20 0 FGADHM O=S(=O)([N-][C@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1ccccc1F ZINC000273518642 496828450 /nfs/dbraw/zinc/82/84/50/496828450.db2.gz NMISIWTWEBNKBJ-GOEBONIOSA-N -1 3 353.390 3.163 20 0 FGADHM C[C@H](NC(=O)c1c[n-]nc1-c1ccccn1)c1ccc(-n2cccn2)cc1 ZINC000580922898 505868938 /nfs/dbraw/zinc/86/89/38/505868938.db2.gz ABGUBAPDXCMHKC-AWEZNQCLSA-N -1 3 358.405 3.148 20 0 FGADHM CNC(=O)c1ccc(NC(=O)c2cn[n-]c2-c2ccsc2)cc1Cl ZINC000188578427 496838680 /nfs/dbraw/zinc/83/86/80/496838680.db2.gz XYAHJSROPXHIDP-UHFFFAOYSA-N -1 3 360.826 3.404 20 0 FGADHM CNC(=O)c1ccc(NC(=O)c2c[n-]nc2-c2ccsc2)cc1Cl ZINC000188578427 496838681 /nfs/dbraw/zinc/83/86/81/496838681.db2.gz XYAHJSROPXHIDP-UHFFFAOYSA-N -1 3 360.826 3.404 20 0 FGADHM Cc1noc(C)c1S(=O)(=O)[N-]CC1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000188612741 496851356 /nfs/dbraw/zinc/85/13/56/496851356.db2.gz AQAKAPCRVJUWEV-UHFFFAOYSA-N -1 3 374.384 3.320 20 0 FGADHM Cc1nnc([C@H](C)[N-]S(=O)(=O)Cc2ccccc2C(F)(F)F)s1 ZINC000273631916 496857685 /nfs/dbraw/zinc/85/76/85/496857685.db2.gz SMBVOVARSFPTRP-QMMMGPOBSA-N -1 3 365.402 3.046 20 0 FGADHM O=C(NCc1ccccc1)c1cccc(NC(=O)c2cccc3nn[n-]c32)c1 ZINC000188663733 496869687 /nfs/dbraw/zinc/86/96/87/496869687.db2.gz NGFFNXNHGPKEAT-UHFFFAOYSA-N -1 3 371.400 3.140 20 0 FGADHM O=C(NCc1ccccc1)c1cccc(NC(=O)c2cccc3[n-]nnc32)c1 ZINC000188663733 496869691 /nfs/dbraw/zinc/86/96/91/496869691.db2.gz NGFFNXNHGPKEAT-UHFFFAOYSA-N -1 3 371.400 3.140 20 0 FGADHM O=C(NCc1ccccc1)c1cccc(NC(=O)c2cccc3n[n-]nc32)c1 ZINC000188663733 496869696 /nfs/dbraw/zinc/86/96/96/496869696.db2.gz NGFFNXNHGPKEAT-UHFFFAOYSA-N -1 3 371.400 3.140 20 0 FGADHM CCOc1cc(-c2noc(-c3cc(C(F)(F)F)nn3C)n2)ccc1[O-] ZINC000580934272 505871540 /nfs/dbraw/zinc/87/15/40/505871540.db2.gz PKKIYDGKMKFTJX-UHFFFAOYSA-N -1 3 354.288 3.260 20 0 FGADHM COc1ccc(CNC[C@@](C)(O)c2cccs2)c(Br)c1[O-] ZINC000273713700 496882234 /nfs/dbraw/zinc/88/22/34/496882234.db2.gz LFZAKYKPXZQOFO-OAHLLOKOSA-N -1 3 372.284 3.222 20 0 FGADHM CC[C@@H](C)[C@@H]([N-]S(=O)(=O)c1ccc(C)c(NC(C)=O)c1)C(F)(F)F ZINC000277775777 496883281 /nfs/dbraw/zinc/88/32/81/496883281.db2.gz UPLODZVBSBXBIR-YMTOWFKASA-N -1 3 366.405 3.209 20 0 FGADHM O=C(CCc1cc(Cl)ccc1Br)[N-]OC[C@H]1CCOC1 ZINC000191793091 496890697 /nfs/dbraw/zinc/89/06/97/496890697.db2.gz HRCXFAXSLLPTQL-JTQLQIEISA-N -1 3 362.651 3.119 20 0 FGADHM CC1(C)CC[C@H](C[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)O1 ZINC000188746885 496895357 /nfs/dbraw/zinc/89/53/57/496895357.db2.gz ODDXILHMEZGTJW-SNVBAGLBSA-N -1 3 355.353 3.080 20 0 FGADHM Cc1c([O-])ccc2c(CN3CC[C@@H](C)[C@@H](n4ccnc4)C3)cc(=O)oc12 ZINC000247628878 496896639 /nfs/dbraw/zinc/89/66/39/496896639.db2.gz NRFNBDWMIWLSDO-DYVFJYSZSA-N -1 3 353.422 3.087 20 0 FGADHM Cc1nc(CC(C)C)oc1C(=O)[N-]c1ccccc1SCCC(N)=O ZINC000188759633 496899478 /nfs/dbraw/zinc/89/94/78/496899478.db2.gz DXRRDWPGOOHZQP-UHFFFAOYSA-N -1 3 361.467 3.401 20 0 FGADHM COc1ccc(CNc2nnc(C(C)(C)C)o2)c(Br)c1[O-] ZINC000273784131 496906893 /nfs/dbraw/zinc/90/68/93/496906893.db2.gz WKXZQVDQIOEURU-UHFFFAOYSA-N -1 3 356.220 3.456 20 0 FGADHM O=C(c1ccc(C(=O)N2CC[C@H]3OCCC[C@H]3C2)cc1)c1cccc([O-])c1 ZINC000188782782 496908255 /nfs/dbraw/zinc/90/82/55/496908255.db2.gz KBHGXBKHWUGLHA-AZUAARDMSA-N -1 3 365.429 3.264 20 0 FGADHM CCc1ccc(C(=O)N[C@@H](CCSC)c2nnc3ccccn32)c([O-])c1 ZINC000188788776 496909866 /nfs/dbraw/zinc/90/98/66/496909866.db2.gz DBGVXMFTNVGKMO-HNNXBMFYSA-N -1 3 370.478 3.222 20 0 FGADHM O=S(=O)([N-]CCc1cccc(OCc2ccccc2)c1)c1ccco1 ZINC000188797751 496911378 /nfs/dbraw/zinc/91/13/78/496911378.db2.gz NRSIDBWAAMFPHC-UHFFFAOYSA-N -1 3 357.431 3.380 20 0 FGADHM COc1cc(-c2noc(-c3ccc(CN4CCCC4=O)cc3)n2)ccc1[O-] ZINC000264571550 496933341 /nfs/dbraw/zinc/93/33/41/496933341.db2.gz DAYQYWZQLQAFDI-UHFFFAOYSA-N -1 3 365.389 3.240 20 0 FGADHM [O-]c1c(-c2nc([C@H]3CN4CCCC[C@@H]4CO3)no2)ccc2c1CCCC2 ZINC000277944946 496945958 /nfs/dbraw/zinc/94/59/58/496945958.db2.gz FEXCPIXDHUFOHC-RHSMWYFYSA-N -1 3 355.438 3.247 20 0 FGADHM CCC[C@H](NC(=O)C(=O)[N-]c1cnns1)c1cccc(C(F)(F)F)c1 ZINC000192008607 496962986 /nfs/dbraw/zinc/96/29/86/496962986.db2.gz CNSDNQLHCYVEST-NSHDSACASA-N -1 3 372.372 3.153 20 0 FGADHM CCN(C(=O)c1cc(OC)c([O-])c(OC)c1)c1ccc(OC)c(OC)c1 ZINC000273935326 496963756 /nfs/dbraw/zinc/96/37/56/496963756.db2.gz JCGAJVZVPABQTR-UHFFFAOYSA-N -1 3 361.394 3.093 20 0 FGADHM CC(C)(CO)[C@H](CNC(=O)c1cc(=O)c2ccccc2[n-]1)c1ccccc1 ZINC000269587491 496974750 /nfs/dbraw/zinc/97/47/50/496974750.db2.gz IQITVRSBPCDIJZ-QGZVFWFLSA-N -1 3 364.445 3.473 20 0 FGADHM CCN(C)C(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000248273837 496976764 /nfs/dbraw/zinc/97/67/64/496976764.db2.gz XIZRCAKPCZJTHT-UHFFFAOYSA-N -1 3 370.833 3.372 20 0 FGADHM O=C([N-]c1cnns1)C(=O)NCC1(C2CCCCC2)CCCCC1 ZINC000192063305 496982479 /nfs/dbraw/zinc/98/24/79/496982479.db2.gz AGHQEWTWCARTBN-UHFFFAOYSA-N -1 3 350.488 3.124 20 0 FGADHM C[C@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)c1ccc2n[n-]nc2c1 ZINC000264771582 496982598 /nfs/dbraw/zinc/98/25/98/496982598.db2.gz QBDQWGJQUMUIFQ-GTNSWQLSSA-N -1 3 356.813 3.214 20 0 FGADHM C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)C(=O)[N-]c3cnns3)c2)C1 ZINC000192085291 496990372 /nfs/dbraw/zinc/99/03/72/496990372.db2.gz GAMMXBJMXPJTKG-DOMZBBRYSA-N -1 3 374.466 3.211 20 0 FGADHM O=C(NCC[C@H]1CCCCO1)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000189047288 496991081 /nfs/dbraw/zinc/99/10/81/496991081.db2.gz CVRHNWBOBWLKEC-LJQANCHMSA-N -1 3 353.418 3.312 20 0 FGADHM CC(C)OCCOCc1cccc(-n2c([O-])c(CC(F)(F)F)[nH]c2=O)c1 ZINC000278069889 496992990 /nfs/dbraw/zinc/99/29/90/496992990.db2.gz JKNHXDIHHYNDRM-AWEZNQCLSA-N -1 3 374.359 3.005 20 0 FGADHM CC(C)c1ccc([C@@H]2CCCCN2C(=O)C(=O)[N-]c2cnns2)cc1 ZINC000192098285 496994364 /nfs/dbraw/zinc/99/43/64/496994364.db2.gz NRTLMSDZJQYXRO-HNNXBMFYSA-N -1 3 358.467 3.354 20 0 FGADHM COc1cc(C(=O)NCc2ccnc(OC3CCCC3)c2)cc(OC)c1[O-] ZINC000269969004 497033968 /nfs/dbraw/zinc/03/39/68/497033968.db2.gz VLHCFSMATTVHEW-UHFFFAOYSA-N -1 3 372.421 3.056 20 0 FGADHM CS[C@@H](CO)[C@H](C)[N-]S(=O)(=O)c1c(C)c(Cl)cc(C)c1Cl ZINC000223591603 497039546 /nfs/dbraw/zinc/03/95/46/497039546.db2.gz YBPRDTBJSNAHFP-ONGXEEELSA-N -1 3 372.339 3.001 20 0 FGADHM C[C@H]1CCN(C(=O)CNC(=O)c2ccc3c(c2)CCC3)c2c([O-])cccc21 ZINC000572064234 505880816 /nfs/dbraw/zinc/88/08/16/505880816.db2.gz RSFDBRDQELVQEM-AWEZNQCLSA-N -1 3 364.445 3.151 20 0 FGADHM CN1CCO[C@H]([C@@H](NCc2cc([O-])cc(F)c2)c2ccc(Cl)cc2)C1 ZINC000248623238 497061133 /nfs/dbraw/zinc/06/11/33/497061133.db2.gz BTEIPRJDNWSVGO-OALUTQOASA-N -1 3 364.848 3.346 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)nc1)c1nc(C(F)(F)F)cs1 ZINC000278336950 497078949 /nfs/dbraw/zinc/07/89/49/497078949.db2.gz GVLCEZVEGNRTTH-ZCFIWIBFSA-N -1 3 371.793 3.250 20 0 FGADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)c2ccc([S@](C)=O)cc2)c(F)cc1F ZINC000270250548 497085912 /nfs/dbraw/zinc/08/59/12/497085912.db2.gz YFPVGWVDRPTWPY-RULNZOCKSA-N -1 3 373.446 3.050 20 0 FGADHM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1ncccc1Br ZINC000229355849 497096615 /nfs/dbraw/zinc/09/66/15/497096615.db2.gz GZGWCBLCYYVXDU-UHFFFAOYSA-N -1 3 359.220 3.401 20 0 FGADHM O=C(Nc1ccsc1Cl)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000189373768 497099575 /nfs/dbraw/zinc/09/95/75/497099575.db2.gz KPDOYNWVBOXZCT-UHFFFAOYSA-N -1 3 365.842 3.097 20 0 FGADHM CC(C)[C@@]1(C(=O)[O-])CCN(Cc2ccc(I)cc2)C1 ZINC000232783727 497112632 /nfs/dbraw/zinc/11/26/32/497112632.db2.gz MZAHZZZBOZIJQX-OAHLLOKOSA-N -1 3 373.234 3.224 20 0 FGADHM C[C@H]1CCN(C(=O)NCc2ccc([O-])c(Br)c2)CCS1 ZINC000192431181 497112659 /nfs/dbraw/zinc/11/26/59/497112659.db2.gz ISZIVDFMHOEVMM-JTQLQIEISA-N -1 3 359.289 3.192 20 0 FGADHM Cc1nc(C)n(C[C@@H]2CCCN(C(=O)c3ccc(C(C)C)cc3[O-])C2)n1 ZINC000265425384 497118168 /nfs/dbraw/zinc/11/81/68/497118168.db2.gz LDBLPZXYDGCMHV-MRXNPFEDSA-N -1 3 356.470 3.276 20 0 FGADHM [O-]C(=NOC[C@@H]1CCOC1)Nc1ccccc1N1CCc2ccccc21 ZINC000189488159 497135016 /nfs/dbraw/zinc/13/50/16/497135016.db2.gz LSQUMPRSRSCOMK-OAHLLOKOSA-N -1 3 353.422 3.470 20 0 FGADHM O=C([N-]OC[C@@H]1CCOC1)Nc1ccccc1N1CCc2ccccc21 ZINC000189488159 497135022 /nfs/dbraw/zinc/13/50/22/497135022.db2.gz LSQUMPRSRSCOMK-OAHLLOKOSA-N -1 3 353.422 3.470 20 0 FGADHM Cc1cc(NC([O-])=NO[C@H]2CCCCO2)ccc1NC(=O)c1ccco1 ZINC000274744141 497156119 /nfs/dbraw/zinc/15/61/19/497156119.db2.gz GBFGBABZIDHSQP-INIZCTEOSA-N -1 3 359.382 3.420 20 0 FGADHM Cc1cc(NC(=O)[N-]O[C@H]2CCCCO2)ccc1NC(=O)c1ccco1 ZINC000274744141 497156126 /nfs/dbraw/zinc/15/61/26/497156126.db2.gz GBFGBABZIDHSQP-INIZCTEOSA-N -1 3 359.382 3.420 20 0 FGADHM CC[C@@H](C)N(CC(=O)[O-])CC(=O)Nc1c(Cl)cccc1C(F)(F)F ZINC000236851667 497156990 /nfs/dbraw/zinc/15/69/90/497156990.db2.gz SYIWPTZKYZGDGD-SECBINFHSA-N -1 3 366.767 3.482 20 0 FGADHM CCOC(=O)c1csc([N-]C(=O)c2ncsc2C(F)(F)F)n1 ZINC000278609900 497165724 /nfs/dbraw/zinc/16/57/24/497165724.db2.gz RNMFSABBJGXIFZ-UHFFFAOYSA-N -1 3 351.331 3.047 20 0 FGADHM COc1cc(C(=O)NC[C@@H]2CCCO[C@H]2c2ccccc2)cc(OC)c1[O-] ZINC000270645298 497169740 /nfs/dbraw/zinc/16/97/40/497169740.db2.gz IFOGEDAKAINSBM-YWZLYKJASA-N -1 3 371.433 3.307 20 0 FGADHM C[C@H]1CCSCCN1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000189605486 497179455 /nfs/dbraw/zinc/17/94/55/497179455.db2.gz HZZHOFRCFFOPRK-JTQLQIEISA-N -1 3 359.289 3.192 20 0 FGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@H](c1ccccc1)C1CC1 ZINC000189665016 497202513 /nfs/dbraw/zinc/20/25/13/497202513.db2.gz VVAZJQXPEBREEH-CQSZACIVSA-N -1 3 365.476 3.273 20 0 FGADHM COC(=O)[C@H]1CC[C@H](C(=O)Nc2ccc(Br)cc2[O-])CC1 ZINC000574954720 505891262 /nfs/dbraw/zinc/89/12/62/505891262.db2.gz HFICLJPVAGVAGT-MGCOHNPYSA-N -1 3 356.216 3.073 20 0 FGADHM COc1ccccc1C[C@@H](C)N(C)C(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000270858481 497215367 /nfs/dbraw/zinc/21/53/67/497215367.db2.gz ZABVBTKJCTYSFZ-CYBMUJFWSA-N -1 3 359.422 3.121 20 0 FGADHM O=C(Cc1ccccc1OC1CCCC1)Nc1nnc(C(F)(F)F)[n-]1 ZINC000574963656 505892157 /nfs/dbraw/zinc/89/21/57/505892157.db2.gz LDMSOHZJNLKPTG-UHFFFAOYSA-N -1 3 354.332 3.326 20 0 FGADHM O=C(Cc1ccccc1OC1CCCC1)Nc1nc(C(F)(F)F)n[n-]1 ZINC000574963656 505892158 /nfs/dbraw/zinc/89/21/58/505892158.db2.gz LDMSOHZJNLKPTG-UHFFFAOYSA-N -1 3 354.332 3.326 20 0 FGADHM [O-]C(=NOC[C@H]1CCOC1)Nc1ccc(Oc2cccc(F)c2F)nc1 ZINC000278790108 497222023 /nfs/dbraw/zinc/22/20/23/497222023.db2.gz YAKQWKBOCVLQNT-NSHDSACASA-N -1 3 365.336 3.242 20 0 FGADHM O=C([N-]OC[C@H]1CCOC1)Nc1ccc(Oc2cccc(F)c2F)nc1 ZINC000278790108 497222029 /nfs/dbraw/zinc/22/20/29/497222029.db2.gz YAKQWKBOCVLQNT-NSHDSACASA-N -1 3 365.336 3.242 20 0 FGADHM Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cc([O-])ccc1Cl ZINC000278796038 497223955 /nfs/dbraw/zinc/22/39/55/497223955.db2.gz YVWBXTSGRVYECU-UHFFFAOYSA-N -1 3 359.857 3.358 20 0 FGADHM CS(=O)(=O)[N-]c1cc(NC(=O)c2c[nH]c3cc(F)ccc23)ccc1F ZINC000192888184 497238638 /nfs/dbraw/zinc/23/86/38/497238638.db2.gz SSIQWCMDEKXZNR-UHFFFAOYSA-N -1 3 365.361 3.070 20 0 FGADHM O=C([N-]c1csc(-c2ccncc2)n1)c1coc(C2CCOCC2)n1 ZINC000574972414 505895044 /nfs/dbraw/zinc/89/50/44/505895044.db2.gz WTUPYCKHYTZENF-UHFFFAOYSA-N -1 3 356.407 3.339 20 0 FGADHM CC(C)(O)CN(Cc1nc(=O)c2cc(-c3ccccc3)sc2[n-]1)C1CC1 ZINC000189863836 497273229 /nfs/dbraw/zinc/27/32/29/497273229.db2.gz BPRWXZLUJGNBNW-UHFFFAOYSA-N -1 3 369.490 3.387 20 0 FGADHM C[C@@H](CON=C([O-])Nc1nc2ccccc2s1)NC(=O)OC(C)(C)C ZINC000271174460 497281501 /nfs/dbraw/zinc/28/15/01/497281501.db2.gz XVBGQAOQEOKNNT-JTQLQIEISA-N -1 3 366.443 3.263 20 0 FGADHM C[C@@H](CO[N-]C(=O)Nc1nc2ccccc2s1)NC(=O)OC(C)(C)C ZINC000271174460 497281504 /nfs/dbraw/zinc/28/15/04/497281504.db2.gz XVBGQAOQEOKNNT-JTQLQIEISA-N -1 3 366.443 3.263 20 0 FGADHM C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000189924732 497294311 /nfs/dbraw/zinc/29/43/11/497294311.db2.gz YOIDNHQMBZWZDZ-PXAZEXFGSA-N -1 3 362.832 3.435 20 0 FGADHM COc1cccc(-c2noc([C@@H](C)[N-]S(=O)(=O)CCC(C)(C)C)n2)c1 ZINC000266285541 497295549 /nfs/dbraw/zinc/29/55/49/497295549.db2.gz KOIILBHSAHDJEY-GFCCVEGCSA-N -1 3 367.471 3.162 20 0 FGADHM Cc1ccc(CC(=O)Nc2cc(-c3nccn3C)[n-]n2)cc1Br ZINC000189975959 497311319 /nfs/dbraw/zinc/31/13/19/497311319.db2.gz FAAYPGOEXDCJMN-UHFFFAOYSA-N -1 3 374.242 3.062 20 0 FGADHM Cc1ccc(CC(=O)Nc2cc(-c3nccn3C)n[n-]2)cc1Br ZINC000189975959 497311325 /nfs/dbraw/zinc/31/13/25/497311325.db2.gz FAAYPGOEXDCJMN-UHFFFAOYSA-N -1 3 374.242 3.062 20 0 FGADHM CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)c1cccc([O-])c1 ZINC000193218470 497325825 /nfs/dbraw/zinc/32/58/25/497325825.db2.gz HMSBKYGRKTUOFC-UHFFFAOYSA-N -1 3 353.205 3.410 20 0 FGADHM C[C@@H]1CN(Cc2csc([N-]C(=O)c3nc(Cl)cs3)n2)C[C@H](C)O1 ZINC000279092358 497329843 /nfs/dbraw/zinc/32/98/43/497329843.db2.gz WIFGQUYCOXUMJO-DTORHVGOSA-N -1 3 372.903 3.115 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](C)c2nc(C(F)(F)F)cs2)c1 ZINC000279126805 497341348 /nfs/dbraw/zinc/34/13/48/497341348.db2.gz XVDREIZQZDGHAQ-SSDOTTSWSA-N -1 3 373.356 3.317 20 0 FGADHM CO[C@H](C)CS(=O)(=O)[N-]c1ccc(OCc2cccc(F)c2)c(F)c1 ZINC000193325888 497351269 /nfs/dbraw/zinc/35/12/69/497351269.db2.gz GGYVBGQXDTXUMX-GFCCVEGCSA-N -1 3 371.405 3.320 20 0 FGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2CCC[C@H](C)[C@H]2C)cc1OC ZINC000266569721 497373270 /nfs/dbraw/zinc/37/32/70/497373270.db2.gz XIPXDIATDXTXCG-QWHCGFSZSA-N -1 3 369.487 3.109 20 0 FGADHM COc1cc(C)cc(C(=O)Nc2cc(N3CCOC3=O)ccc2C)c1[O-] ZINC000266576236 497374584 /nfs/dbraw/zinc/37/45/84/497374584.db2.gz YYVOAXUDKVGBPH-UHFFFAOYSA-N -1 3 356.378 3.227 20 0 FGADHM C/C=C\c1ccc([N-]S(=O)(=O)C[C@@H](C(=O)OC)c2ccccc2)cc1 ZINC000572155979 505903113 /nfs/dbraw/zinc/90/31/13/505903113.db2.gz UILPTQCKYFNQNN-BKSIFSGMSA-N -1 3 359.447 3.418 20 0 FGADHM CCCCN(C)C[C@H](C)[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000572157053 505903221 /nfs/dbraw/zinc/90/32/21/505903221.db2.gz ZUMLSWKZHRROCU-JTQLQIEISA-N -1 3 354.850 3.017 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCc2ccc(C)cc2)c1 ZINC000193461555 497385970 /nfs/dbraw/zinc/38/59/70/497385970.db2.gz DOLHJDGIAPPUPK-UHFFFAOYSA-N -1 3 365.389 3.179 20 0 FGADHM Cc1nn2c(nc(C)cc2C)c1C(=O)[N-]c1n[nH]c(-c2ccc(C)cc2)n1 ZINC000193488904 497394482 /nfs/dbraw/zinc/39/44/82/497394482.db2.gz VZXCFKSGWRQXOH-UHFFFAOYSA-N -1 3 361.409 3.000 20 0 FGADHM COCCc1ccc(S(=O)(=O)[N-]c2cc(CN(C)C)ccc2C)cc1 ZINC000275667216 497398391 /nfs/dbraw/zinc/39/83/91/497398391.db2.gz ZAUZGPOETBBZOA-UHFFFAOYSA-N -1 3 362.495 3.046 20 0 FGADHM CCc1cc2c(CN[C@@H](CCO)c3ccccc3)cc(=O)oc2cc1[O-] ZINC000271659198 497411970 /nfs/dbraw/zinc/41/19/70/497411970.db2.gz KUIYZRAYGUUZAP-SFHVURJKSA-N -1 3 353.418 3.274 20 0 FGADHM NC1(c2noc(-c3n[n-]c(-c4ccccc4)c3Br)n2)CCC1 ZINC000261660000 497428690 /nfs/dbraw/zinc/42/86/90/497428690.db2.gz FOTRJNYSJWPJOU-UHFFFAOYSA-N -1 3 360.215 3.227 20 0 FGADHM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCO[C@H](C(C)C)C2)c1 ZINC000271725370 497429845 /nfs/dbraw/zinc/42/98/45/497429845.db2.gz UKGOZJFGTRMIKP-ZFWWWQNUSA-N -1 3 359.875 3.025 20 0 FGADHM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCO[C@H](C(C)C)C2)c1 ZINC000271725366 497430001 /nfs/dbraw/zinc/43/00/01/497430001.db2.gz UKGOZJFGTRMIKP-HIFRSBDPSA-N -1 3 359.875 3.025 20 0 FGADHM C[C@@H](CNC(=O)c1c[n-]c2ccccc2c1=O)COCc1ccccc1 ZINC000193711842 497454760 /nfs/dbraw/zinc/45/47/60/497454760.db2.gz CNIJTIXAGLQNCY-HNNXBMFYSA-N -1 3 350.418 3.111 20 0 FGADHM O=S(=O)(c1ccc(NC([O-])=NOC2CCCC2)cc1)C1CCCC1 ZINC000271852471 497469576 /nfs/dbraw/zinc/46/95/76/497469576.db2.gz WSHQXWVHARJNFL-UHFFFAOYSA-N -1 3 352.456 3.399 20 0 FGADHM O=C([N-]OC1CCCC1)Nc1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000271852471 497469580 /nfs/dbraw/zinc/46/95/80/497469580.db2.gz WSHQXWVHARJNFL-UHFFFAOYSA-N -1 3 352.456 3.399 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C)c1c(C)noc1C ZINC000245627055 497478629 /nfs/dbraw/zinc/47/86/29/497478629.db2.gz DBXWBDOCHBRRML-DEYYWGMASA-N -1 3 368.499 3.057 20 0 FGADHM CCCC(=O)N1CCC[C@H](C(=O)Nc2cc(Br)ccc2[O-])C1 ZINC000267301834 497520308 /nfs/dbraw/zinc/52/03/08/497520308.db2.gz AHWWLCFRKLDTKF-NSHDSACASA-N -1 3 369.259 3.132 20 0 FGADHM C[C@H]1Oc2ccccc2[C@@H]1[N-]S(=O)(=O)c1ccc2c(c1)CC(C)(C)O2 ZINC000572200324 505912654 /nfs/dbraw/zinc/91/26/54/505912654.db2.gz SWTGPJOYQCOVKD-KZULUSFZSA-N -1 3 359.447 3.201 20 0 FGADHM COc1ccc(Cl)cc1NC(=O)CN1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-] ZINC000262288827 497535622 /nfs/dbraw/zinc/53/56/22/497535622.db2.gz VTOIGVBKGIAKKT-DFBGVHRSSA-N -1 3 366.845 3.005 20 0 FGADHM O=S(=O)([N-][C@@H]1C[C@H]2OCCC[C@H]12)c1cc2cc(Cl)ccc2s1 ZINC000190630272 497553136 /nfs/dbraw/zinc/55/31/36/497553136.db2.gz JBTRYXLUMYRHKJ-JHJVBQTASA-N -1 3 357.884 3.401 20 0 FGADHM CCOC(CC[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)OCC ZINC000276360828 497553757 /nfs/dbraw/zinc/55/37/57/497553757.db2.gz MVMGZZZRSCCYQA-UHFFFAOYSA-N -1 3 356.271 3.061 20 0 FGADHM C[C@](O)(CCNC(=O)c1cc([O-])ccc1C(F)(F)F)c1ccccc1 ZINC000194043509 497555736 /nfs/dbraw/zinc/55/57/36/497555736.db2.gz ZENBZVLWCAFYJL-KRWDZBQOSA-N -1 3 353.340 3.439 20 0 FGADHM O=C([N-]OC[C@@H]1CCOC1)Nc1cccc(NC(=O)C2CCCCC2)c1 ZINC000276381805 497558557 /nfs/dbraw/zinc/55/85/57/497558557.db2.gz LJWDPPFKMHJMNA-CQSZACIVSA-N -1 3 361.442 3.295 20 0 FGADHM O=C([N-]OC[C@@H]1CCOC1)Nc1ccccc1COCc1ccccc1 ZINC000276416171 497568683 /nfs/dbraw/zinc/56/86/83/497568683.db2.gz QKWLHBXQSQRRAQ-QGZVFWFLSA-N -1 3 356.422 3.493 20 0 FGADHM CCc1ccc(NC(=O)C(=O)[N-]c2sccc2C(=O)OC)cc1CC ZINC000190677029 497568828 /nfs/dbraw/zinc/56/88/28/497568828.db2.gz WWVBKKHJRBWYDG-UHFFFAOYSA-N -1 3 360.435 3.237 20 0 FGADHM CC(C)c1cccc(-n2cc([O-])c(C(=O)N3C[C@@H]4CCCN4C[C@@H]3C)n2)c1 ZINC000245917359 497570547 /nfs/dbraw/zinc/57/05/47/497570547.db2.gz YTCKNGWVTORIQY-YJBOKZPZSA-N -1 3 368.481 3.010 20 0 FGADHM O=C([N-]OC[C@@H]1CCOC1)Nc1cccc(C(=O)OCc2ccccc2)c1 ZINC000276423322 497570908 /nfs/dbraw/zinc/57/09/08/497570908.db2.gz RFHHBBRBDFZBHM-MRXNPFEDSA-N -1 3 370.405 3.133 20 0 FGADHM CCCCOc1ccc(C(=O)N2CCC[C@@H](Cc3nccn3C)C2)c([O-])c1 ZINC000190683057 497571132 /nfs/dbraw/zinc/57/11/32/497571132.db2.gz COAHYENFXORWCQ-INIZCTEOSA-N -1 3 371.481 3.400 20 0 FGADHM CCOc1cc(-c2noc(C[C@H]3COc4ccccc4O3)n2)ccc1[O-] ZINC000578331016 505916584 /nfs/dbraw/zinc/91/65/84/505916584.db2.gz AUHPEPRIARXLQJ-ZDUSSCGKSA-N -1 3 354.362 3.223 20 0 FGADHM C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)N1CCC[C@@H](C(=O)[O-])C1 ZINC000262669046 497595486 /nfs/dbraw/zinc/59/54/86/497595486.db2.gz OQOSBSNGOYDEIJ-QMTMVMCOSA-N -1 3 354.450 3.202 20 0 FGADHM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1C=CCCC1 ZINC000190772951 497598719 /nfs/dbraw/zinc/59/87/19/497598719.db2.gz MAYGZGXLWHGIJE-GXTWGEPZSA-N -1 3 359.875 3.141 20 0 FGADHM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]CC1(C2CC2)CC1 ZINC000190799504 497608340 /nfs/dbraw/zinc/60/83/40/497608340.db2.gz SDIQDIPVINXRSX-GFCCVEGCSA-N -1 3 373.902 3.222 20 0 FGADHM CCOc1c(Cl)cccc1CC(=O)Nc1cc(-c2nccn2C)[n-]n1 ZINC000190805840 497609352 /nfs/dbraw/zinc/60/93/52/497609352.db2.gz KFZXLIFXKFXCSS-UHFFFAOYSA-N -1 3 359.817 3.044 20 0 FGADHM CCOc1c(Cl)cccc1CC(=O)Nc1cc(-c2nccn2C)n[n-]1 ZINC000190805840 497609356 /nfs/dbraw/zinc/60/93/56/497609356.db2.gz KFZXLIFXKFXCSS-UHFFFAOYSA-N -1 3 359.817 3.044 20 0 FGADHM CCc1cc(=O)[n-]c(CS[C@H](C)c2ccc(S(C)(=O)=O)cc2)n1 ZINC000190810981 497611396 /nfs/dbraw/zinc/61/13/96/497611396.db2.gz OREKWEYTNKSSHU-LLVKDONJSA-N -1 3 352.481 3.143 20 0 FGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCCc2cc(N)ccc21 ZINC000262812736 497627192 /nfs/dbraw/zinc/62/71/92/497627192.db2.gz YKYQFFKBXARNPL-OAHLLOKOSA-N -1 3 366.870 3.287 20 0 FGADHM CC[C@H](C)[C@H](NC(=O)c1cc(=O)[n-]c(C2CC2)n1)c1nc2ccccc2[nH]1 ZINC000581140646 505918835 /nfs/dbraw/zinc/91/88/35/505918835.db2.gz NWUIMABUPQETKO-GTNSWQLSSA-N -1 3 365.437 3.453 20 0 FGADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CC[C@@H](N2CCCC2=O)C1 ZINC000276829449 497665906 /nfs/dbraw/zinc/66/59/06/497665906.db2.gz VYYZUMAEZVEZNE-OAHLLOKOSA-N -1 3 366.417 3.021 20 0 FGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1c2ccccc2O[C@H]1C ZINC000569383367 505922035 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CC(C)(C)c1nnc(C[N-]S(=O)(=O)/C=C/c2ccc(F)cc2)s1 ZINC000268250647 497711217 /nfs/dbraw/zinc/71/12/17/497711217.db2.gz ZITYDKPEUQGPOU-CMDGGOBGSA-N -1 3 355.460 3.065 20 0 FGADHM Cc1ccc(C(=O)N2CCCC[C@H]2c2nnc(C3CCOCC3)o2)c([O-])c1 ZINC000277016647 497717103 /nfs/dbraw/zinc/71/71/03/497717103.db2.gz WGWAQGPMRILOCW-INIZCTEOSA-N -1 3 371.437 3.345 20 0 FGADHM CC(C)(C)CC[C@@H](NC(=O)C1CCN(Cc2ccccc2)CC1)C(=O)[O-] ZINC000263148802 497717547 /nfs/dbraw/zinc/71/75/47/497717547.db2.gz NMGOOMBQIHEMFQ-GOSISDBHSA-N -1 3 360.498 3.294 20 0 FGADHM COc1cc(Br)c(CNCCCCCC(=O)[O-])cc1OC ZINC000277057087 497729181 /nfs/dbraw/zinc/72/91/81/497729181.db2.gz SYHKUHGFQWVPLV-UHFFFAOYSA-N -1 3 360.248 3.201 20 0 FGADHM O=S(=O)(Cc1ccccc1C(F)(F)F)[N-]Cc1noc2ccccc21 ZINC000569404703 505926083 /nfs/dbraw/zinc/92/60/83/505926083.db2.gz ATWZMZVYGXKUOX-UHFFFAOYSA-N -1 3 370.352 3.466 20 0 FGADHM COc1cc(C(=O)N2CCC[C@@H]2Cn2c(C)nc3ccccc32)ccc1[O-] ZINC000277123071 497748623 /nfs/dbraw/zinc/74/86/23/497748623.db2.gz 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351.472 3.119 20 0 FGADHM COc1c(Cl)cc(Cl)cc1CN[C@@H](CN1CCCCC1)C(=O)[O-] ZINC000277232831 497783934 /nfs/dbraw/zinc/78/39/34/497783934.db2.gz IQJHYPDDZLPORY-AWEZNQCLSA-N -1 3 361.269 3.031 20 0 FGADHM COc1cc(CN[C@@H](C(=O)[O-])c2cccc(C)c2C)cc(OC)c1OC ZINC000277259827 497790220 /nfs/dbraw/zinc/79/02/20/497790220.db2.gz KNIJSBRSNURLSQ-GOSISDBHSA-N -1 3 359.422 3.245 20 0 FGADHM CC(C)(C)c1ccccc1OCC(=O)[N-]c1ncnn1-c1ccccc1 ZINC000575156915 505933199 /nfs/dbraw/zinc/93/31/99/505933199.db2.gz FMAOIMKCLDCRIR-UHFFFAOYSA-N -1 3 350.422 3.004 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCCC23CCCC3)c1 ZINC000364194142 497834313 /nfs/dbraw/zinc/83/43/13/497834313.db2.gz YJWMBVXFFYNVJM-UHFFFAOYSA-N -1 3 369.421 3.490 20 0 FGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CCCCCCC1 ZINC000299541704 497841178 /nfs/dbraw/zinc/84/11/78/497841178.db2.gz ULULSCWBDIEDNV-UHFFFAOYSA-N -1 3 354.454 3.278 20 0 FGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N(C)Cc1cccs1 ZINC000299553683 497844462 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ZINC000281090195 498015718 /nfs/dbraw/zinc/01/57/18/498015718.db2.gz LWSAOAIGJHRZAE-SNVBAGLBSA-N -1 3 363.202 3.389 20 0 FGADHM COc1cc(C(=O)NC[C@@H]2CCCc3sc(C)nc32)cc(OC)c1[O-] ZINC000364557329 498023570 /nfs/dbraw/zinc/02/35/70/498023570.db2.gz AAEMTXJEKNLFFO-NSHDSACASA-N -1 3 362.451 3.024 20 0 FGADHM O=c1nc(Cc2noc([C@H]3CCC[C@@H](O)C3)n2)[n-]c2scc(C3CC3)c21 ZINC000349980546 498029107 /nfs/dbraw/zinc/02/91/07/498029107.db2.gz ILVCEDIRKSDQBR-WDEREUQCSA-N -1 3 372.450 3.267 20 0 FGADHM C[C@@]1(c2ccc(C(=O)N3CC4C[C@@H]5CC3C[C@H](C4)C5)cc2)NC(=O)[N-]C1=O ZINC000330134048 498033883 /nfs/dbraw/zinc/03/38/83/498033883.db2.gz GSLBRWMTMVNUPO-CCBKCTHESA-N -1 3 367.449 3.437 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H](C)Cc3c(C)noc3C)nc2)n1 ZINC000301337532 498062914 /nfs/dbraw/zinc/06/29/14/498062914.db2.gz CSULUUUUYXHDNP-LLVKDONJSA-N -1 3 353.426 3.455 20 0 FGADHM [O-]c1ccc(Br)c(CN2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c1 ZINC000289275240 498088088 /nfs/dbraw/zinc/08/80/88/498088088.db2.gz GRDXGKCGZGFIBL-PWSUYJOCSA-N -1 3 368.193 3.147 20 0 FGADHM Cc1cccnc1CCCNC(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000296528027 498080524 /nfs/dbraw/zinc/08/05/24/498080524.db2.gz WMXVYCHRRCIANE-UHFFFAOYSA-N -1 3 353.397 3.454 20 0 FGADHM O=S(=O)([N-][C@@H]1CCC[C@@H]2OCC[C@@H]21)c1ccc(Cl)cc1Cl ZINC000330259843 498084098 /nfs/dbraw/zinc/08/40/98/498084098.db2.gz SHNCZLSQHCPTIC-RTXFEEFZSA-N -1 3 350.267 3.229 20 0 FGADHM O=C(Nc1nnc(-c2ccco2)[n-]1)[C@@H]1CCN(c2ccccc2Cl)C1 ZINC000569629669 505979629 /nfs/dbraw/zinc/97/96/29/505979629.db2.gz GRFKSFJIQRAGKG-LLVKDONJSA-N -1 3 357.801 3.183 20 0 FGADHM O=C(Nc1nc(-c2ccco2)n[n-]1)[C@@H]1CCN(c2ccccc2Cl)C1 ZINC000569629669 505979632 /nfs/dbraw/zinc/97/96/32/505979632.db2.gz GRFKSFJIQRAGKG-LLVKDONJSA-N -1 3 357.801 3.183 20 0 FGADHM O=C(Nc1n[n-]c(-c2ccco2)n1)[C@@H]1CCN(c2ccccc2Cl)C1 ZINC000569629669 505979634 /nfs/dbraw/zinc/97/96/34/505979634.db2.gz GRFKSFJIQRAGKG-LLVKDONJSA-N -1 3 357.801 3.183 20 0 FGADHM O=C(c1cccc([O-])c1)N1CCN(c2ncc(-c3ccccc3)s2)CC1 ZINC000301434856 498108961 /nfs/dbraw/zinc/10/89/61/498108961.db2.gz IUXWCULKPJHESL-UHFFFAOYSA-N -1 3 365.458 3.478 20 0 FGADHM CC(=O)Nc1ccc([O-])c(-c2nc(-c3ccc(F)c(CN(C)C)c3)no2)c1 ZINC000350568546 498115793 /nfs/dbraw/zinc/11/57/93/498115793.db2.gz QGUAZTSABPHTOA-UHFFFAOYSA-N -1 3 370.384 3.268 20 0 FGADHM CCOc1cc(-c2noc([C@@H]3CCN(C)C3)n2)cc(Br)c1[O-] ZINC000350571411 498117844 /nfs/dbraw/zinc/11/78/44/498117844.db2.gz PUMGBYFZAQLMNT-SECBINFHSA-N -1 3 368.231 3.023 20 0 FGADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@H]1CCC[C@@H]1C ZINC000330405202 498126195 /nfs/dbraw/zinc/12/61/95/498126195.db2.gz WCXSJLZPGMZKRD-KWQFWETISA-N -1 3 366.252 3.064 20 0 FGADHM O=S(=O)([N-][C@@H](c1nccs1)C(F)(F)F)c1ccc2c(c1)CCC2 ZINC000292763266 498137809 /nfs/dbraw/zinc/13/78/09/498137809.db2.gz JBAHICDCOBRCKT-LBPRGKRZSA-N -1 3 362.398 3.214 20 0 FGADHM O=C([N-]C[C@H]1CCCN(Cc2cc(-c3ccccc3)no2)C1)C(F)(F)F ZINC000289439685 498147670 /nfs/dbraw/zinc/14/76/70/498147670.db2.gz JZOMQMIPGVPPBZ-CYBMUJFWSA-N -1 3 367.371 3.232 20 0 FGADHM Cc1noc([C@@H]2CCCCN2Cc2cc(=O)oc3c(C)c([O-])ccc23)n1 ZINC000285628035 498152806 /nfs/dbraw/zinc/15/28/06/498152806.db2.gz LDVUPTRMXMVKMQ-HNNXBMFYSA-N -1 3 355.394 3.226 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)C[C@H]3CCOC3)cc2)cc1 ZINC000581464099 505994078 /nfs/dbraw/zinc/99/40/78/505994078.db2.gz NCAFCGOLZDYRLF-OAHLLOKOSA-N -1 3 374.462 3.161 20 0 FGADHM CC(C)[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccccc2C(F)(F)F)CCO1 ZINC000330621192 498161039 /nfs/dbraw/zinc/16/10/39/498161039.db2.gz BDQFWVVFSWSFJT-YPMHNXCESA-N -1 3 351.390 3.187 20 0 FGADHM CC(C)[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)CCO1 ZINC000330620786 498161640 /nfs/dbraw/zinc/16/16/40/498161640.db2.gz ANQRQLLWTDCNQP-YGRLFVJLSA-N -1 3 352.283 3.475 20 0 FGADHM CCc1cc(C(=O)N[C@@H](Cc2nc(C)no2)c2ccccc2)ccc1[O-] ZINC000292881407 498183054 /nfs/dbraw/zinc/18/30/54/498183054.db2.gz MBZGYQGFVSYLMR-KRWDZBQOSA-N -1 3 351.406 3.360 20 0 FGADHM COC1(c2noc(-c3ccc(F)c([N-]S(C)(=O)=O)c3)n2)CCCCC1 ZINC000351147899 498186988 /nfs/dbraw/zinc/18/69/88/498186988.db2.gz UDPVPJIYIDMWNM-UHFFFAOYSA-N -1 3 369.418 3.053 20 0 FGADHM COCC[C@@H]([N-]S(=O)(=O)c1cc(Cl)cc(COC)c1)c1ccco1 ZINC000289551556 498190419 /nfs/dbraw/zinc/19/04/19/498190419.db2.gz ULESGMFOECXHED-OAHLLOKOSA-N -1 3 373.858 3.136 20 0 FGADHM COc1cc(-c2noc(C3(C(=O)Nc4ccc(F)cc4)CC3)n2)ccc1[O-] ZINC000581463490 505993897 /nfs/dbraw/zinc/99/38/97/505993897.db2.gz JFAAFRMQKQRFBB-UHFFFAOYSA-N -1 3 369.352 3.260 20 0 FGADHM Cc1ccc([O-])c(CN2C[C@H](CC(=O)N(C)C)c3cc(Cl)ccc32)n1 ZINC000289561827 498194025 /nfs/dbraw/zinc/19/40/25/498194025.db2.gz YQONDLHDHNOLDR-ZDUSSCGKSA-N -1 3 359.857 3.331 20 0 FGADHM CCC(=O)c1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCCc3c[nH]nc32)c1 ZINC000281564534 498195651 /nfs/dbraw/zinc/19/56/51/498195651.db2.gz UZAFWKJFPMLVFZ-CYBMUJFWSA-N -1 3 367.858 3.012 20 0 FGADHM COc1cc(CNC(=O)c2cc([O-])ccc2Cl)cc(OC)c1OC ZINC000578682079 505995726 /nfs/dbraw/zinc/99/57/26/505995726.db2.gz CZOOOMRIEFHDSL-UHFFFAOYSA-N -1 3 351.786 3.001 20 0 FGADHM c1csc(CN2CCC(N=c3[n-]nc(-c4ccccn4)s3)CC2)c1 ZINC000364905259 498201570 /nfs/dbraw/zinc/20/15/70/498201570.db2.gz LLCAYTWGTTZIQD-UHFFFAOYSA-N -1 3 357.508 3.160 20 0 FGADHM COc1c(Cl)cc([N-]S(=O)(=O)C[C@@H]2CCCCO2)cc1Cl ZINC000330844878 498203345 /nfs/dbraw/zinc/20/33/45/498203345.db2.gz BSWTTYUCZZNZSF-JTQLQIEISA-N -1 3 354.255 3.313 20 0 FGADHM CC(C)(C)S(=O)(=O)Cc1cccc(NC([O-])=NOC/C=C/Cl)c1 ZINC000289603556 498213284 /nfs/dbraw/zinc/21/32/84/498213284.db2.gz NVLVMJBYCFTGJP-VMPITWQZSA-N -1 3 360.863 3.206 20 0 FGADHM CC(C)(C)S(=O)(=O)Cc1cccc(NC(=O)[N-]OC/C=C/Cl)c1 ZINC000289603556 498213288 /nfs/dbraw/zinc/21/32/88/498213288.db2.gz NVLVMJBYCFTGJP-VMPITWQZSA-N -1 3 360.863 3.206 20 0 FGADHM Cc1cnn([C@H]2CCCc3ccccc32)c1NC(=O)Cc1cncc([O-])c1 ZINC000569708148 505998801 /nfs/dbraw/zinc/99/88/01/505998801.db2.gz PTVVEPBKACUATG-IBGZPJMESA-N -1 3 362.433 3.399 20 0 FGADHM [O-]C(=NOC/C=C/Cl)Nc1ccc(OCC(F)(F)C(F)F)nc1 ZINC000289623909 498222245 /nfs/dbraw/zinc/22/22/45/498222245.db2.gz OYBGSKZEHTVBRE-DAFODLJHSA-N -1 3 357.691 3.166 20 0 FGADHM O=C([N-]OC/C=C/Cl)Nc1ccc(OCC(F)(F)C(F)F)nc1 ZINC000289623909 498222251 /nfs/dbraw/zinc/22/22/51/498222251.db2.gz OYBGSKZEHTVBRE-DAFODLJHSA-N -1 3 357.691 3.166 20 0 FGADHM O=S(=O)([N-]c1cc([C@@H]2CCCOC2)n[nH]1)c1cccc2ccccc21 ZINC000572574794 506000928 /nfs/dbraw/zinc/00/09/28/506000928.db2.gz ZMSPSKIILREBIM-CQSZACIVSA-N -1 3 357.435 3.258 20 0 FGADHM O=C([C@H]1CCC(=O)N(Cc2ccccc2)C1)N1CCCc2cccc([O-])c21 ZINC000364974800 498235404 /nfs/dbraw/zinc/23/54/04/498235404.db2.gz CCPSAVBEHRDQJS-SFHVURJKSA-N -1 3 364.445 3.110 20 0 FGADHM Cc1ccc(C[C@H](C)C(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)cc1 ZINC000281721461 498247488 /nfs/dbraw/zinc/24/74/88/498247488.db2.gz NKYHGHICJZRMDV-AWEZNQCLSA-N -1 3 370.415 3.091 20 0 FGADHM COc1ccc(CN(C)C)cc1[N-]S(=O)(=O)c1ccc(C(F)F)cc1 ZINC000569735296 506003761 /nfs/dbraw/zinc/00/37/61/506003761.db2.gz RJSMOIJLDYPPNG-UHFFFAOYSA-N -1 3 370.421 3.495 20 0 FGADHM CCn1nc(C)c(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)c1C ZINC000581522236 506006793 /nfs/dbraw/zinc/00/67/93/506006793.db2.gz AFYUXWJNMAZDPF-UHFFFAOYSA-N -1 3 367.418 3.079 20 0 FGADHM CN1CCC[C@@H](CNC(=O)c2cccc(C(=O)[O-])c2)[C@H]1c1cccs1 ZINC000578748956 506011875 /nfs/dbraw/zinc/01/18/75/506011875.db2.gz KCKIMZQKSQEWQA-RDJZCZTQSA-N -1 3 358.463 3.259 20 0 FGADHM CC(C)[C@H](C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)c1ccccc1 ZINC000281873759 498300236 /nfs/dbraw/zinc/30/02/36/498300236.db2.gz ZROJUSZEQNQPNE-INIZCTEOSA-N -1 3 370.415 3.343 20 0 FGADHM Cn1cc(C(F)(F)F)nc1[C@H]1CCCN(Cc2cc(C(=O)[O-])co2)C1 ZINC000581553817 506014331 /nfs/dbraw/zinc/01/43/31/506014331.db2.gz HJYSYNOWULLXDD-JTQLQIEISA-N -1 3 357.332 3.110 20 0 FGADHM [O-]c1ccc(CCCc2nc(-c3ccc(-n4cccn4)nc3)no2)cc1F ZINC000572625393 506014935 /nfs/dbraw/zinc/01/49/35/506014935.db2.gz CMJILGWYESDTKN-UHFFFAOYSA-N -1 3 365.368 3.337 20 0 FGADHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H]3CC(c4ccccc4)=NO3)c2)n1 ZINC000360854752 498318220 /nfs/dbraw/zinc/31/82/20/498318220.db2.gz ZHVZBFDWCNLJQK-SFHVURJKSA-N -1 3 374.400 3.289 20 0 FGADHM Cc1cccc(C(=O)N2CCCC[C@H]2c2nnc([C@H]3CCCO3)o2)c1[O-] ZINC000289863486 498328256 /nfs/dbraw/zinc/32/82/56/498328256.db2.gz VTVXZERBQHNANB-LSDHHAIUSA-N -1 3 357.410 3.303 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(NCC3([C@@H](C)CCO)CCC3)nc2)n1 ZINC000361047212 498337255 /nfs/dbraw/zinc/33/72/55/498337255.db2.gz BBAKYTZVAHHUGN-AWEZNQCLSA-N -1 3 356.470 3.407 20 0 FGADHM Cc1o[n-]c(=NC(=O)c2nn(-c3ccc(Cl)c(F)c3)c3c2CCC3)c1C ZINC000578774883 506017854 /nfs/dbraw/zinc/01/78/54/506017854.db2.gz UJFUBMXBCZTGOJ-UHFFFAOYSA-N -1 3 374.803 3.433 20 0 FGADHM CC(=O)c1ccc(C(=O)N2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)cc1[O-] ZINC000331531878 498361808 /nfs/dbraw/zinc/36/18/08/498361808.db2.gz KXEOJAQKYLKOML-BLVKFPJESA-N -1 3 357.381 3.336 20 0 FGADHM CC(=O)N(c1ccc(NC([O-])=NOCc2cccnc2)cc1)[C@H]1C[C@@H]1C ZINC000297231150 498368115 /nfs/dbraw/zinc/36/81/15/498368115.db2.gz WNXRJCREUJUDHL-UGSOOPFHSA-N -1 3 354.410 3.096 20 0 FGADHM CC(=O)N(c1ccc(NC(=O)[N-]OCc2cccnc2)cc1)[C@H]1C[C@@H]1C ZINC000297231150 498368117 /nfs/dbraw/zinc/36/81/17/498368117.db2.gz WNXRJCREUJUDHL-UGSOOPFHSA-N -1 3 354.410 3.096 20 0 FGADHM C[C@@H]1CCN(C(=O)N=c2cc(OC(F)F)n(C)[n-]2)[C@H]1c1cccc(F)c1 ZINC000331576527 498378866 /nfs/dbraw/zinc/37/88/66/498378866.db2.gz RNALQKGGAJTAGF-MEBBXXQBSA-N -1 3 368.359 3.198 20 0 FGADHM Cc1c(NCc2cc([O-])cc(C(F)(F)F)c2)cccc1C(=O)NCCO ZINC000289986575 498382974 /nfs/dbraw/zinc/38/29/74/498382974.db2.gz SAKJWYHXMZUYMJ-UHFFFAOYSA-N -1 3 368.355 3.054 20 0 FGADHM Cc1cccc([C@@H]2CCCN2C(=O)NCc2nnc(C(F)(F)F)[n-]2)c1 ZINC000331591428 498384859 /nfs/dbraw/zinc/38/48/59/498384859.db2.gz UTFXXNIVYPTBRE-LBPRGKRZSA-N -1 3 353.348 3.179 20 0 FGADHM Cc1cccc([C@@H]2CCCN2C(=O)NCc2n[n-]c(C(F)(F)F)n2)c1 ZINC000331591428 498384861 /nfs/dbraw/zinc/38/48/61/498384861.db2.gz UTFXXNIVYPTBRE-LBPRGKRZSA-N -1 3 353.348 3.179 20 0 FGADHM Cc1cccc([C@@H]2CCCN2C(=O)NCc2nc(C(F)(F)F)n[n-]2)c1 ZINC000331591428 498384867 /nfs/dbraw/zinc/38/48/67/498384867.db2.gz UTFXXNIVYPTBRE-LBPRGKRZSA-N -1 3 353.348 3.179 20 0 FGADHM COC(=O)C1(CS(=O)(=O)[N-]c2ccc(C)c(OC(C)C)c2)CCCC1 ZINC000578808507 506025140 /nfs/dbraw/zinc/02/51/40/506025140.db2.gz HGJZNYWQPPEISG-UHFFFAOYSA-N -1 3 369.483 3.257 20 0 FGADHM CCCCOc1ccc([C@H](C)[N-]S(=O)(=O)c2cscn2)cc1OC ZINC000569840039 506028972 /nfs/dbraw/zinc/02/89/72/506028972.db2.gz QRTIILFHTJCJFL-LBPRGKRZSA-N -1 3 370.496 3.370 20 0 FGADHM Cc1cnn(C2CN(C(=O)c3cc(OCc4ccccc4)ccc3[O-])C2)c1 ZINC000361942388 498444204 /nfs/dbraw/zinc/44/42/04/498444204.db2.gz HBHKBSVXSVQJDT-UHFFFAOYSA-N -1 3 363.417 3.173 20 0 FGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCCc3c2cnn3C)c1Cl ZINC000331783438 498452640 /nfs/dbraw/zinc/45/26/40/498452640.db2.gz IIQUXOALEBOQJP-GFCCVEGCSA-N -1 3 374.293 3.391 20 0 FGADHM CCCc1nc(C)c(C(=O)NCc2ccc([O-])c(Br)c2)o1 ZINC000293725287 498467390 /nfs/dbraw/zinc/46/73/90/498467390.db2.gz OOQVPUGNSRPMOA-UHFFFAOYSA-N -1 3 353.216 3.334 20 0 FGADHM Cc1cccc(C(=O)N2CC[C@@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)c1[O-] ZINC000293739982 498472729 /nfs/dbraw/zinc/47/27/29/498472729.db2.gz RHMIIEGWRMWKEQ-GDBMZVCRSA-N -1 3 360.454 3.172 20 0 FGADHM COCCC[C@@H](CNc1nc2nncc-2c(O)[n-]1)c1ccc(Cl)cc1 ZINC000286708252 498483818 /nfs/dbraw/zinc/48/38/18/498483818.db2.gz YYZXCDDVPNFROZ-LBPRGKRZSA-N -1 3 361.833 3.334 20 0 FGADHM Cc1noc([C@@H]2CCCCN2C(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)n1 ZINC000286758445 498500895 /nfs/dbraw/zinc/50/08/95/498500895.db2.gz RRHQDIXFQDIPGX-HNNXBMFYSA-N -1 3 370.384 3.447 20 0 FGADHM O=C(c1cc([O-])ccc1Cl)N1CCOC[C@H]1C[C@H](O)c1cccs1 ZINC000290314202 498505814 /nfs/dbraw/zinc/50/58/14/498505814.db2.gz GIVPIXJNKCNCHQ-ABAIWWIYSA-N -1 3 367.854 3.072 20 0 FGADHM O=C(c1ccc([O-])cc1)N1CCN(c2nc(-c3ccccc3)cs2)CC1 ZINC000302596548 498515684 /nfs/dbraw/zinc/51/56/84/498515684.db2.gz BGJIGJAZBIBWNY-UHFFFAOYSA-N -1 3 365.458 3.478 20 0 FGADHM CCOc1cc(CN[C@@H]2CCCc3c[nH]nc32)cc(Br)c1[O-] ZINC000297671920 498532207 /nfs/dbraw/zinc/53/22/07/498532207.db2.gz OQHGHVGMQSIDGH-CYBMUJFWSA-N -1 3 366.259 3.444 20 0 FGADHM C[C@H](CC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)C1CCCCC1 ZINC000332017260 498533959 /nfs/dbraw/zinc/53/39/59/498533959.db2.gz UVFDZQJHGVARBR-MRXNPFEDSA-N -1 3 358.482 3.283 20 0 FGADHM C[C@@H](CC(=O)[O-])N(C)Cc1ccc(I)cc1Cl ZINC000569943120 506053525 /nfs/dbraw/zinc/05/35/25/506053525.db2.gz SPFGMOGVZJSRSL-QMMMGPOBSA-N -1 3 367.614 3.240 20 0 FGADHM Cc1noc(C(C)C)c1C(=O)[N-]c1nc2cc(Br)ccn2n1 ZINC000297772239 498562977 /nfs/dbraw/zinc/56/29/77/498562977.db2.gz PVABJWHZRHUKOL-UHFFFAOYSA-N -1 3 364.203 3.164 20 0 FGADHM Cc1ccc([O-])c(C(=O)N(C)[C@@H](c2ccc(F)cc2)c2ncccn2)c1 ZINC000362846074 498563756 /nfs/dbraw/zinc/56/37/56/498563756.db2.gz FXAITUBJJZBCBB-SFHVURJKSA-N -1 3 351.381 3.491 20 0 FGADHM O=C(Nc1n[n-]c(-c2ccc(Br)cc2F)n1)[C@@H]1CCCS1 ZINC000332112084 498564566 /nfs/dbraw/zinc/56/45/66/498564566.db2.gz GHCFZWOTTZZRGZ-JTQLQIEISA-N -1 3 371.235 3.207 20 0 FGADHM Cc1nccn1CCCN(C)C(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC000282602786 498577301 /nfs/dbraw/zinc/57/73/01/498577301.db2.gz GGNBSIVDVFFQKQ-UHFFFAOYSA-N -1 3 358.829 3.261 20 0 FGADHM CC(C)[C@H]([N-]C(=O)C(F)(F)F)c1nc(-c2ccc(CN(C)C)cc2)no1 ZINC000282619275 498584334 /nfs/dbraw/zinc/58/43/34/498584334.db2.gz MAZVWSRFVYFMAO-ZDUSSCGKSA-N -1 3 370.375 3.174 20 0 FGADHM C[C@@H]1CCN(C(=O)c2cnc(C(=O)OC(C)(C)C)cn2)c2c([O-])cccc21 ZINC000332209462 498601961 /nfs/dbraw/zinc/60/19/61/498601961.db2.gz IJGLUCCUNSXEEC-GFCCVEGCSA-N -1 3 369.421 3.292 20 0 FGADHM Cn1ncc2c1C[C@H](C(=O)Nc1cc(Cc3ccccc3)ccc1[O-])CC2 ZINC000282700209 498616928 /nfs/dbraw/zinc/61/69/28/498616928.db2.gz KJTCUGDTHOWSDO-QGZVFWFLSA-N -1 3 361.445 3.460 20 0 FGADHM O=C(Cc1cncc([O-])c1)N1CCC(c2nc3c(s2)CCCC3)CC1 ZINC000569987856 506063150 /nfs/dbraw/zinc/06/31/50/506063150.db2.gz HTHRHTHZWGNRCR-UHFFFAOYSA-N -1 3 357.479 3.071 20 0 FGADHM CCN1CCN(Cc2ccc(NC(=O)c3cccc(C)c3[O-])cc2)CC1 ZINC000302939491 498631788 /nfs/dbraw/zinc/63/17/88/498631788.db2.gz HKPNRUNIJBIGQJ-UHFFFAOYSA-N -1 3 353.466 3.090 20 0 FGADHM CCOc1cc(CN(CCOC)Cc2ccccn2)cc(Cl)c1[O-] ZINC000298056065 498650861 /nfs/dbraw/zinc/65/08/61/498650861.db2.gz JLRRFOSFQHLVAJ-UHFFFAOYSA-N -1 3 350.846 3.488 20 0 FGADHM Cc1c(Br)cccc1CN1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000332359202 498661906 /nfs/dbraw/zinc/66/19/06/498661906.db2.gz UOWXJWGZBKWVRM-GFCCVEGCSA-N -1 3 352.232 3.226 20 0 FGADHM CCc1cc(C(=O)N2CCC[C@@H](Cc3nnc4ccccn43)C2)ccc1[O-] ZINC000365861233 498674747 /nfs/dbraw/zinc/67/47/47/498674747.db2.gz BQOFMKKIGNYCQO-HNNXBMFYSA-N -1 3 364.449 3.092 20 0 FGADHM CN(C)[C@H](CNC(=O)CCc1ccc2ccccc2c1[O-])c1ccco1 ZINC000294377367 498674864 /nfs/dbraw/zinc/67/48/64/498674864.db2.gz NRJOPUDNNOEUSK-GOSISDBHSA-N -1 3 352.434 3.490 20 0 FGADHM CCOc1cc(CN2CCSC[C@@H]2c2cnn(C)c2)cc(Cl)c1[O-] ZINC000298148362 498676800 /nfs/dbraw/zinc/67/68/00/498676800.db2.gz RIQMZGYKSLVBNQ-OAHLLOKOSA-N -1 3 367.902 3.468 20 0 FGADHM CC1(C)CCC[C@@]1(O)C[N-]S(=O)(=O)Cc1ccccc1C(F)(F)F ZINC000579010582 506073615 /nfs/dbraw/zinc/07/36/15/506073615.db2.gz LCUDYIFEXWJKJZ-OAHLLOKOSA-N -1 3 365.417 3.066 20 0 FGADHM C[C@@H](OCCc1ccccc1)C(=O)N(C)Cc1nc2ccsc2c(=O)[n-]1 ZINC000294409017 498685228 /nfs/dbraw/zinc/68/52/28/498685228.db2.gz KYKBQQKMMVBWIF-CYBMUJFWSA-N -1 3 371.462 3.003 20 0 FGADHM CCOC(=O)c1c(C)c(C(C)=O)sc1[N-]C(=O)c1cnc(Cl)cn1 ZINC000298260361 498712431 /nfs/dbraw/zinc/71/24/31/498712431.db2.gz MLIKRPIWJVDMSN-UHFFFAOYSA-N -1 3 367.814 3.132 20 0 FGADHM CCO[C@H]1C[C@H](NC(=O)c2c[n-]nc2-c2ccccn2)C12CCCCC2 ZINC000572894569 506077930 /nfs/dbraw/zinc/07/79/30/506077930.db2.gz PQXAFCDCHSKFNF-IRXDYDNUSA-N -1 3 354.454 3.329 20 0 FGADHM COc1cc(CC[N-]S(=O)(=O)c2ccc(F)cc2Cl)ccc1C ZINC000303807756 498716822 /nfs/dbraw/zinc/71/68/22/498716822.db2.gz BZAWMOXKBIZJNE-UHFFFAOYSA-N -1 3 357.834 3.317 20 0 FGADHM O=C(Nc1ccccc1[O-])C1CCN(C(=O)[C@@H]2CCCCC2(F)F)CC1 ZINC000294523310 498718417 /nfs/dbraw/zinc/71/84/17/498718417.db2.gz TYSUDUXFKHPSGC-AWEZNQCLSA-N -1 3 366.408 3.395 20 0 FGADHM CC(C)OCc1nc([C@H](C)NCc2cc([O-])ccc2Br)no1 ZINC000290922434 498724244 /nfs/dbraw/zinc/72/42/44/498724244.db2.gz NYCXQEQDGRWAJG-JTQLQIEISA-N -1 3 370.247 3.314 20 0 FGADHM CCc1cc(C(=O)N[C@H]2CCN(Cc3cnc(C)s3)C[C@H]2C)ccc1[O-] ZINC000366019791 498736880 /nfs/dbraw/zinc/73/68/80/498736880.db2.gz UTGBEZFPLXFMNW-ACJLOTCBSA-N -1 3 373.522 3.360 20 0 FGADHM CC[C@@H](O)[C@@H](CC)[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000313101873 498766069 /nfs/dbraw/zinc/76/60/69/498766069.db2.gz UYGAQXZPVAVESF-GHMZBOCLSA-N -1 3 359.797 3.187 20 0 FGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CC(C)(C)[C@@H]1C1CC1 ZINC000291033629 498766959 /nfs/dbraw/zinc/76/69/59/498766959.db2.gz FNJXYMBLFYOREH-SFHVURJKSA-N -1 3 366.465 3.132 20 0 FGADHM CN(C)[C@@H](CNC(=O)c1c[n-]nc1-c1ccccn1)c1ccccc1Cl ZINC000581912467 506087307 /nfs/dbraw/zinc/08/73/07/506087307.db2.gz NLCLPTFWMQAOBR-KRWDZBQOSA-N -1 3 369.856 3.158 20 0 FGADHM CC(=O)OC(C)(C)c1nc(Cc2nc(=O)c3c(C4CC4)csc3[n-]2)no1 ZINC000291057751 498775672 /nfs/dbraw/zinc/77/56/72/498775672.db2.gz JJIFWQGARVXASH-UHFFFAOYSA-N -1 3 374.422 3.046 20 0 FGADHM COc1ccc(CNCc2cccc([O-])c2Br)cc1OC ZINC000315504608 498783948 /nfs/dbraw/zinc/78/39/48/498783948.db2.gz HJFBZCFMPYIRDS-UHFFFAOYSA-N -1 3 352.228 3.462 20 0 FGADHM CCOC(=O)CCC[N-]S(=O)(=O)c1c(C)c(Cl)cc(C)c1Cl ZINC000316009839 498785996 /nfs/dbraw/zinc/78/59/96/498785996.db2.gz BEVOGGQBXFZYGO-UHFFFAOYSA-N -1 3 368.282 3.232 20 0 FGADHM Cc1ccc(C(=O)N(C)[C@@H](c2ccc(F)cc2)c2ncccn2)c([O-])c1 ZINC000363397590 498799072 /nfs/dbraw/zinc/79/90/72/498799072.db2.gz SJULRTUKZHWQLD-SFHVURJKSA-N -1 3 351.381 3.491 20 0 FGADHM C[C@H]1CCCc2nc(S(=O)(=O)[N-]Cc3ccc(C(F)(F)F)cc3)cn21 ZINC000579097159 506093480 /nfs/dbraw/zinc/09/34/80/506093480.db2.gz HQTHJHAOCSLWOF-NSHDSACASA-N -1 3 373.400 3.278 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)N[C@@H]1c2ccccc2CC12CCOCC2 ZINC000291136889 498811673 /nfs/dbraw/zinc/81/16/73/498811673.db2.gz IMWYZPCESYDHQB-LJQANCHMSA-N -1 3 370.424 3.425 20 0 FGADHM C[C@@H]1CCCc2nc(S(=O)(=O)[N-]Cc3ccc(C(F)(F)F)cc3)cn21 ZINC000579097158 506093750 /nfs/dbraw/zinc/09/37/50/506093750.db2.gz HQTHJHAOCSLWOF-LLVKDONJSA-N -1 3 373.400 3.278 20 0 FGADHM O=C(Nc1nnc(-c2c(F)cccc2F)[n-]1)c1cc2ccccc2[nH]c1=O ZINC000363429523 498818040 /nfs/dbraw/zinc/81/80/40/498818040.db2.gz NPHCYAZZSIWWMY-UHFFFAOYSA-N -1 3 367.315 3.256 20 0 FGADHM O=C(Nc1nc(-c2c(F)cccc2F)n[n-]1)c1cc2ccccc2[nH]c1=O ZINC000363429523 498818046 /nfs/dbraw/zinc/81/80/46/498818046.db2.gz NPHCYAZZSIWWMY-UHFFFAOYSA-N -1 3 367.315 3.256 20 0 FGADHM O=C(Nc1n[n-]c(-c2c(F)cccc2F)n1)c1cc2ccccc2[nH]c1=O ZINC000363429523 498818053 /nfs/dbraw/zinc/81/80/53/498818053.db2.gz NPHCYAZZSIWWMY-UHFFFAOYSA-N -1 3 367.315 3.256 20 0 FGADHM O=S(=O)([N-][C@H]1CCC[C@@H](CO)C1)c1cc(C(F)(F)F)ccc1Cl ZINC000323720151 498822825 /nfs/dbraw/zinc/82/28/25/498822825.db2.gz KQDWCHOAGZBKTA-KOLCDFICSA-N -1 3 371.808 3.188 20 0 FGADHM COc1ccc(C(=O)N=c2[nH][n-]c(C)c2-c2ccncc2)cc1OC(F)F ZINC000366251723 498841803 /nfs/dbraw/zinc/84/18/03/498841803.db2.gz MZQWYNLOLCHHJO-UHFFFAOYSA-N -1 3 374.347 3.064 20 0 FGADHM CCOc1ccc([N-]S(=O)(=O)c2c(C)cc(F)cc2C)cc1CO ZINC000326385513 498842935 /nfs/dbraw/zinc/84/29/35/498842935.db2.gz JEOIZWDOZXIGHM-UHFFFAOYSA-N -1 3 353.415 3.134 20 0 FGADHM CC[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1C(=O)OC)C1CCCCC1 ZINC000326414315 498843149 /nfs/dbraw/zinc/84/31/49/498843149.db2.gz SZZYYJBDCIKNDG-OAHLLOKOSA-N -1 3 357.447 3.250 20 0 FGADHM NC(=O)N1CCCc2ccc(NC(=O)c3ccc4c(c3[O-])CCCC4)cc21 ZINC000333019834 498871586 /nfs/dbraw/zinc/87/15/86/498871586.db2.gz DIMSLTXREOPIBS-UHFFFAOYSA-N -1 3 365.433 3.355 20 0 FGADHM COc1ccc(CN(C)[C@H](CO)c2ccccc2)c(Br)c1[O-] ZINC000295003644 498876041 /nfs/dbraw/zinc/87/60/41/498876041.db2.gz ISSYHSGOSYHTSO-CQSZACIVSA-N -1 3 366.255 3.329 20 0 FGADHM COc1ccc(CN(C)[C@@H](CO)c2ccccc2)c(Br)c1[O-] ZINC000295003636 498876682 /nfs/dbraw/zinc/87/66/82/498876682.db2.gz ISSYHSGOSYHTSO-AWEZNQCLSA-N -1 3 366.255 3.329 20 0 FGADHM Cc1ccc(C(F)(F)C(=O)[N-][C@H](C)c2noc(COC(C)C)n2)cc1 ZINC000291344786 498902891 /nfs/dbraw/zinc/90/28/91/498902891.db2.gz TYSCETVUKKEIHF-GFCCVEGCSA-N -1 3 353.369 3.272 20 0 FGADHM O=S(=O)([N-][C@@H]1CC12CCOCC2)c1cc2cc(Cl)ccc2s1 ZINC000333129575 498908313 /nfs/dbraw/zinc/90/83/13/498908313.db2.gz WPNKRCVHLUKYQG-CYBMUJFWSA-N -1 3 357.884 3.402 20 0 FGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CC23CCOCC3)c1Cl ZINC000333140876 498912528 /nfs/dbraw/zinc/91/25/28/498912528.db2.gz YSRBWYWBRAUIJS-LLVKDONJSA-N -1 3 350.267 3.149 20 0 FGADHM CC(C)OC(=O)[C@@H]1CCCN1C(=O)CCc1ccc2ccccc2c1[O-] ZINC000573070525 506111586 /nfs/dbraw/zinc/11/15/86/506111586.db2.gz VQUCYQNZZIHGIL-SFHVURJKSA-N -1 3 355.434 3.421 20 0 FGADHM O=C(CCCNC(=O)NC1CCCCC1)Nc1c([O-])cccc1Cl ZINC000576249332 506113384 /nfs/dbraw/zinc/11/33/84/506113384.db2.gz BXQUERHRYBJBAC-UHFFFAOYSA-N -1 3 353.850 3.396 20 0 FGADHM C[C@@H]1CCCc2nc(S(=O)(=O)[N-][C@H]3CCSc4ccccc43)cn21 ZINC000333192580 498931322 /nfs/dbraw/zinc/93/13/22/498931322.db2.gz SMHGSWUPXBDTAY-OCCSQVGLSA-N -1 3 363.508 3.296 20 0 FGADHM CN(Cc1nc2ccsc2c(=O)[n-]1)C(=O)NC[C@@H]1CCCC(F)(F)C1 ZINC000283591432 498932754 /nfs/dbraw/zinc/93/27/54/498932754.db2.gz SDJULRIZSYTELH-SNVBAGLBSA-N -1 3 370.425 3.364 20 0 FGADHM C[C@@H](C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C)c1ccc(Cl)s1 ZINC000291440149 498941374 /nfs/dbraw/zinc/94/13/74/498941374.db2.gz BSNWQJMFUUKBOG-MRVPVSSYSA-N -1 3 365.842 3.040 20 0 FGADHM CCc1cc(C(=O)N2CCC(NC(=O)NC3CCCCC3)CC2)ccc1[O-] ZINC000291450893 498944982 /nfs/dbraw/zinc/94/49/82/498944982.db2.gz HDRVRWJKURFSBL-UHFFFAOYSA-N -1 3 373.497 3.191 20 0 FGADHM [O-]c1cc(CN2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)cc(C(F)(F)F)c1 ZINC000291462602 498950793 /nfs/dbraw/zinc/95/07/93/498950793.db2.gz DEVHWBVVBOXCNB-ZWNOBZJWSA-N -1 3 357.294 3.404 20 0 FGADHM O=C([O-])[C@@H]1[C@H]2CCC[C@H]2CN1Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000570219898 506117566 /nfs/dbraw/zinc/11/75/66/506117566.db2.gz NEDDZNWUYKTKNU-UVFQYZLESA-N -1 3 351.450 3.046 20 0 FGADHM CC1(C)Cc2ccc(C(=O)N3C[C@H](O)C[C@H]3c3cccc(F)c3)c([O-])c2O1 ZINC000333262066 498957229 /nfs/dbraw/zinc/95/72/29/498957229.db2.gz MHNDXZCZKPMFIC-WBVHZDCISA-N -1 3 371.408 3.193 20 0 FGADHM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]CC(C)(C)c2ccccn2)c1 ZINC000295266919 498960948 /nfs/dbraw/zinc/96/09/48/498960948.db2.gz LPYRFBHLKPXTSK-UHFFFAOYSA-N -1 3 366.870 3.194 20 0 FGADHM C[C@H]1CCN(C(=O)c2c(Br)cnn2C)c2c([O-])cccc21 ZINC000295304527 498973279 /nfs/dbraw/zinc/97/32/79/498973279.db2.gz KGRFCPXYBIFIOI-VIFPVBQESA-N -1 3 350.216 3.042 20 0 FGADHM O=c1[n-]c(SC[C@@H]2CCC[C@@H](O)C2)nc2c1cnn2-c1ccccc1 ZINC000291594178 499005483 /nfs/dbraw/zinc/00/54/83/499005483.db2.gz GMNJQWWHPPTINS-TZMCWYRMSA-N -1 3 356.451 3.164 20 0 FGADHM O=S(=O)([N-][C@@H]1CCO[C@H](C2CC2)C1)c1ccc(C(F)(F)F)s1 ZINC000291657245 499025895 /nfs/dbraw/zinc/02/58/95/499025895.db2.gz IWTSADGIDOJBIU-ZJUUUORDSA-N -1 3 355.403 3.003 20 0 FGADHM Cc1cc(C)c2[n-]cc(C(=O)N3CCC(OC4CCC4)CC3)c(=O)c2c1 ZINC000333568741 499032644 /nfs/dbraw/zinc/03/26/44/499032644.db2.gz ROZPXDBKAXBSEA-UHFFFAOYSA-N -1 3 354.450 3.319 20 0 FGADHM CCOc1cc(CN2CCN(Cc3cc(C)no3)CC2)cc(Cl)c1[O-] ZINC000284047009 499036795 /nfs/dbraw/zinc/03/67/95/499036795.db2.gz MAVDZKVGUVCBMG-UHFFFAOYSA-N -1 3 365.861 3.059 20 0 FGADHM CCCc1nc(C)c(C[N-]S(=O)(=O)c2cc(C(C)=O)ccc2Cl)o1 ZINC000291837701 499082380 /nfs/dbraw/zinc/08/23/80/499082380.db2.gz GOSKROZFBGVBIF-UHFFFAOYSA-N -1 3 370.858 3.270 20 0 FGADHM Cc1cc(=O)[n-]c([C@H](C)N2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)n1 ZINC000333839320 499085712 /nfs/dbraw/zinc/08/57/12/499085712.db2.gz NDVHTQILOYPYEO-QWHCGFSZSA-N -1 3 359.392 3.233 20 0 FGADHM CC(C)(C)C[C@H](CC(=O)[O-])NCc1cn(-c2ccc(F)cc2Cl)nn1 ZINC000284318408 499087937 /nfs/dbraw/zinc/08/79/37/499087937.db2.gz SWCMOUUPMKTLHU-LBPRGKRZSA-N -1 3 368.840 3.429 20 0 FGADHM CC(C)(C[C@@H]1CCCN(C(=O)c2ccc3c(c2[O-])CCCC3)C1)C(N)=O ZINC000295720197 499088436 /nfs/dbraw/zinc/08/84/36/499088436.db2.gz TUPYHBQCUHORTC-AWEZNQCLSA-N -1 3 358.482 3.025 20 0 FGADHM O=C(NC[C@@H]1CCCN(c2ccccc2)C1)c1cc(=O)c2ccccc2[n-]1 ZINC000364079899 499110188 /nfs/dbraw/zinc/11/01/88/499110188.db2.gz BQSDLIXIISTPQO-INIZCTEOSA-N -1 3 361.445 3.175 20 0 FGADHM C[C@H](Cc1nc(-c2ccccc2)no1)NC(=O)Cc1ccc([O-])cc1Cl ZINC000366916623 499114931 /nfs/dbraw/zinc/11/49/31/499114931.db2.gz XGVQWMXZZPHDLJ-GFCCVEGCSA-N -1 3 371.824 3.386 20 0 FGADHM C[C@]1(C[C@H]2CCCN2C(=O)[C@H]2CCSc3ccccc32)NC(=O)[N-]C1=O ZINC000329408600 499116411 /nfs/dbraw/zinc/11/64/11/499116411.db2.gz XPAPJJWNTXTBSZ-SPKLELGKSA-N -1 3 373.478 3.290 20 0 FGADHM Cc1ccc(NC(=O)c2ccccc2)cc1NC([O-])=NOCC(C)(C)O ZINC000284503472 499117171 /nfs/dbraw/zinc/11/71/71/499117171.db2.gz DHIAGWBDSCCIEH-UHFFFAOYSA-N -1 3 357.410 3.071 20 0 FGADHM Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)[N-]OCC(C)(C)O ZINC000284503472 499117173 /nfs/dbraw/zinc/11/71/73/499117173.db2.gz DHIAGWBDSCCIEH-UHFFFAOYSA-N -1 3 357.410 3.071 20 0 FGADHM Cc1coc(C)c1C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000284502930 499117203 /nfs/dbraw/zinc/11/72/03/499117203.db2.gz ZHNBFMQUQBBVQR-UHFFFAOYSA-N -1 3 368.430 3.365 20 0 FGADHM COc1ccc([C@H](NCc2n[n-]c(=O)s2)c2ccc3c(c2)CCO3)cc1 ZINC000366964473 499123210 /nfs/dbraw/zinc/12/32/10/499123210.db2.gz ULSYARYOOKGJKM-SFHVURJKSA-N -1 3 369.446 3.066 20 0 FGADHM O=S(=O)([N-][C@H]1CCCc2cn(C3CCCC3)nc21)c1ccccc1F ZINC000329535768 499129484 /nfs/dbraw/zinc/12/94/84/499129484.db2.gz ZQVLUPCGOVDMQF-INIZCTEOSA-N -1 3 363.458 3.493 20 0 FGADHM COc1ccc([O-])c(C(=O)N2CCOC[C@H]2c2nc3ccccc3s2)c1 ZINC000367048939 499139934 /nfs/dbraw/zinc/13/99/34/499139934.db2.gz APBBVYCMPOFYQK-HNNXBMFYSA-N -1 3 370.430 3.224 20 0 FGADHM CCOC(=O)c1csc([N-]C(=O)c2oc(COC(C)(C)C)nc2C)n1 ZINC000570283505 506132886 /nfs/dbraw/zinc/13/28/86/506132886.db2.gz VIWKTENYURRNNA-UHFFFAOYSA-N -1 3 367.427 3.184 20 0 FGADHM CO[C@@H]1Cc2ccccc2N(C(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)C1 ZINC000367101450 499148732 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O=C(N[C@@H](c1ccc(Cl)cc1)[C@@H]1CCOC1)c1ccc2n[n-]nc2c1 ZINC000367892473 499242207 /nfs/dbraw/zinc/24/22/07/499242207.db2.gz JPLAAATXXYAXDZ-DYVFJYSZSA-N -1 3 356.813 3.119 20 0 FGADHM COC(=O)C[C@H]1CN(C(=O)Cc2ccc([O-])cc2Cl)c2ccccc21 ZINC000370694036 499244866 /nfs/dbraw/zinc/24/48/66/499244866.db2.gz IPJKNQMYTOPALR-ZDUSSCGKSA-N -1 3 359.809 3.282 20 0 FGADHM O=C([N-]c1n[nH]c(-c2ccncc2)n1)c1csc(-c2cccs2)n1 ZINC000367923002 499245751 /nfs/dbraw/zinc/24/57/51/499245751.db2.gz AKKDEMYYBKHZTN-UHFFFAOYSA-N -1 3 354.420 3.304 20 0 FGADHM O=C([N-]c1n[nH]c(-c2c(F)cccc2F)n1)c1cc(F)cc2nccnc21 ZINC000371082122 499287212 /nfs/dbraw/zinc/28/72/12/499287212.db2.gz VBLRAUZYCKQTNT-UHFFFAOYSA-N -1 3 370.294 3.085 20 0 FGADHM CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)[N-]OCC(F)(F)F)O[C@H](C)C2 ZINC000368567117 499308319 /nfs/dbraw/zinc/30/83/19/499308319.db2.gz RLCMACBHAKOIEZ-CDMKHQONSA-N -1 3 359.344 3.122 20 0 FGADHM C[C@@H]1CCN(C(=O)C2CCN(C(=O)c3ccoc3)CC2)c2c([O-])cccc21 ZINC000368638233 499316286 /nfs/dbraw/zinc/31/62/86/499316286.db2.gz YEVGVOIGWIXENQ-CQSZACIVSA-N -1 3 368.433 3.378 20 0 FGADHM COc1cc([C@H]2CCCN2Cc2nc(C)ccc2[O-])cc(OC)c1OC ZINC000371419297 499324493 /nfs/dbraw/zinc/32/44/93/499324493.db2.gz KTYVUQUVIWVSLA-MRXNPFEDSA-N -1 3 358.438 3.459 20 0 FGADHM O=c1cc(CN[C@H](c2ccccc2)[C@@H]2CCOC2)c2ccc([O-])cc2o1 ZINC000371498498 499334892 /nfs/dbraw/zinc/33/48/92/499334892.db2.gz VXGCBZXOUQXJNI-QVKFZJNVSA-N -1 3 351.402 3.366 20 0 FGADHM O=C(/C=C/c1cncc([O-])c1)N[C@H](c1ccncc1)c1cc(F)ccc1F ZINC000371617662 499347871 /nfs/dbraw/zinc/34/78/71/499347871.db2.gz YOLRVSLXFXDBNU-NEABXICISA-N -1 3 367.355 3.379 20 0 FGADHM CCc1ccc(C(=O)N2CCCN(Cc3cnn(C(C)C)c3)CC2)c([O-])c1 ZINC000368951280 499350012 /nfs/dbraw/zinc/35/00/12/499350012.db2.gz PPLRRRRGPHIFLE-UHFFFAOYSA-N -1 3 370.497 3.080 20 0 FGADHM Cc1ccc2[n-]cc(C(=O)N3CCC[C@@H](c4nccs4)C3)c(=O)c2c1 ZINC000371810840 499367990 /nfs/dbraw/zinc/36/79/90/499367990.db2.gz SQSPKVOGLCWAJK-CYBMUJFWSA-N -1 3 353.447 3.313 20 0 FGADHM CCC[C@@H](C)CS(=O)(=O)[N-][C@@H](c1noc(C2CC2)n1)c1ccccc1 ZINC000369288518 499387805 /nfs/dbraw/zinc/38/78/05/499387805.db2.gz REJSWFQSFGNPDY-CZUORRHYSA-N -1 3 363.483 3.392 20 0 FGADHM COc1cc(C(=O)Nc2cccc(-c3nnc(C)o3)c2)cc(OC)c1[O-] ZINC000372217313 499410046 /nfs/dbraw/zinc/41/00/46/499410046.db2.gz OWEYJEZABMJWNC-UHFFFAOYSA-N -1 3 355.350 3.020 20 0 FGADHM Cc1nc(-c2cnn(C)c2)oc1C(=O)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000372234557 499411506 /nfs/dbraw/zinc/41/15/06/499411506.db2.gz YWMMPHJRUWXMCX-UHFFFAOYSA-N -1 3 366.299 3.360 20 0 FGADHM O=c1nc(CN2CCO[C@@H](C3CC3)C2)[n-]c2scc(-c3ccco3)c21 ZINC000372263160 499414492 /nfs/dbraw/zinc/41/44/92/499414492.db2.gz UZFGNEJUVXBZSG-CQSZACIVSA-N -1 3 357.435 3.268 20 0 FGADHM CN1CC[C@@H](CNC(=O)c2cc(=O)c3ccccc3[n-]2)[C@@H]1c1cccs1 ZINC000369553315 499416738 /nfs/dbraw/zinc/41/67/38/499416738.db2.gz YEQIHADSLYZEPF-ORAYPTAESA-N -1 3 367.474 3.012 20 0 FGADHM CN1CC[C@H](CNC(=O)c2cc(=O)c3ccccc3[n-]2)[C@H]1c1cccs1 ZINC000369553316 499416914 /nfs/dbraw/zinc/41/69/14/499416914.db2.gz YEQIHADSLYZEPF-YJYMSZOUSA-N -1 3 367.474 3.012 20 0 FGADHM COc1ccc(C2=CCN(C(=O)c3cc(OC)c([O-])c(OC)c3)CC2)cc1 ZINC000372354180 499424308 /nfs/dbraw/zinc/42/43/08/499424308.db2.gz CQWANXASFKPSBC-UHFFFAOYSA-N -1 3 369.417 3.348 20 0 FGADHM O=C(Nc1cccc([O-])c1F)[C@H]1CCCN(c2ncnc3sccc32)C1 ZINC000372365238 499425192 /nfs/dbraw/zinc/42/51/92/499425192.db2.gz JGIOWTIAKYOEQJ-NSHDSACASA-N -1 3 372.425 3.391 20 0 FGADHM Cc1ccc(-c2cc(C(=O)N3C[C@@H](C)C(=O)N(C)c4ccccc43)n[n-]2)o1 ZINC000369627235 499428011 /nfs/dbraw/zinc/42/80/11/499428011.db2.gz YITQIILQIJFWSC-GFCCVEGCSA-N -1 3 364.405 3.237 20 0 FGADHM Cc1ccc(-c2cc(C(=O)N3C[C@@H](C)C(=O)N(C)c4ccccc43)[n-]n2)o1 ZINC000369627235 499428013 /nfs/dbraw/zinc/42/80/13/499428013.db2.gz YITQIILQIJFWSC-GFCCVEGCSA-N -1 3 364.405 3.237 20 0 FGADHM Cc1ccc([C@H]2C[C@@H](C)N(C(=O)c3cnc4c(cnn4C)c3[O-])C2)cc1 ZINC000369667124 499434183 /nfs/dbraw/zinc/43/41/83/499434183.db2.gz YNLWAGIIKSECAA-HIFRSBDPSA-N -1 3 350.422 3.001 20 0 FGADHM O=C(Nc1cnc2c(c1)COCC2)c1c[n-]nc1-c1cccc(Cl)c1 ZINC000373200433 499457003 /nfs/dbraw/zinc/45/70/03/499457003.db2.gz FLHKITKIBZNBED-UHFFFAOYSA-N -1 3 354.797 3.450 20 0 FGADHM CN(C(=O)c1csc(=O)[n-]1)[C@@H](c1cccnc1)c1ccc(F)c(F)c1 ZINC000373430015 499469362 /nfs/dbraw/zinc/46/93/62/499469362.db2.gz FIXGSRQPVFQQMD-OAHLLOKOSA-N -1 3 361.373 3.384 20 0 FGADHM Cc1nc(C)c(CCC(=O)Nc2nc(-c3ccccc3F)co2)c(=O)[n-]1 ZINC000373605386 499479571 /nfs/dbraw/zinc/47/95/71/499479571.db2.gz XPKQHHHOFPBOJL-UHFFFAOYSA-N -1 3 356.357 3.164 20 0 FGADHM CN(C)c1noc([C@@H]2CCCN(C(=O)c3cc([O-])c4ccccc4c3)C2)n1 ZINC000373695206 499483761 /nfs/dbraw/zinc/48/37/61/499483761.db2.gz LRLHLEXBSWZBQR-CQSZACIVSA-N -1 3 366.421 3.014 20 0 FGADHM O=C(c1ccc(C(=O)N2CCC[C@H]3OCC[C@H]32)cc1)c1cccc([O-])c1 ZINC000373715589 499484679 /nfs/dbraw/zinc/48/46/79/499484679.db2.gz YACSNDXNKIVIGJ-RTBURBONSA-N -1 3 351.402 3.017 20 0 FGADHM O=C(c1csc(=O)[n-]1)N1CCO[C@H](c2ccccc2C(F)(F)F)C1 ZINC000373718742 499484843 /nfs/dbraw/zinc/48/48/43/499484843.db2.gz HNKLOXKGNOIHRW-LBPRGKRZSA-N -1 3 358.341 3.081 20 0 FGADHM CCc1ccc(C(=O)N(CC)[C@H](c2nccn2C)c2cccnc2)c([O-])c1 ZINC000373724958 499485088 /nfs/dbraw/zinc/48/50/88/499485088.db2.gz DZRDYKUDFKFUMZ-IBGZPJMESA-N -1 3 364.449 3.335 20 0 FGADHM O=C(c1ccc2c(c1[O-])CCCC2)N1CC[C@]2(C1)C(=O)Nc1ccccc12 ZINC000375289186 499503465 /nfs/dbraw/zinc/50/34/65/499503465.db2.gz QVKHUKIGJQZYED-JOCHJYFZSA-N -1 3 362.429 3.007 20 0 FGADHM CC(C)(C)OC(=O)N1CCC2(CCN(C(=O)c3ccccc3[O-])C2)CC1 ZINC000378398172 499511952 /nfs/dbraw/zinc/51/19/52/499511952.db2.gz QCSYHKQLNLGPCC-UHFFFAOYSA-N -1 3 360.454 3.255 20 0 FGADHM CCc1noc(C)c1C[N-]S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000579329478 506148143 /nfs/dbraw/zinc/14/81/43/506148143.db2.gz QFIWKLUFXNZUNL-UHFFFAOYSA-N -1 3 366.336 3.182 20 0 FGADHM CC(=O)NC1(c2noc(-c3n[n-]nc3-c3ccccc3)n2)CCCCCC1 ZINC000375685329 499545214 /nfs/dbraw/zinc/54/52/14/499545214.db2.gz PBCGVLPHPRCTSC-UHFFFAOYSA-N -1 3 366.425 3.207 20 0 FGADHM 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/nfs/dbraw/zinc/59/82/37/499598237.db2.gz HOLLEPMMTOLIHN-UHFFFAOYSA-N -1 3 362.861 3.031 20 0 FGADHM CCc1[n-][nH]c(=NC(=O)c2cc3sc(N(CC)CC)nc3s2)c1C ZINC000409473855 499599625 /nfs/dbraw/zinc/59/96/25/499599625.db2.gz GSCZEXIDOZFULJ-UHFFFAOYSA-N -1 3 363.512 3.472 20 0 FGADHM O=C(c1ccc(C(=O)N2CC[C@H]([C@H]3CCOC3)C2)cc1)c1cccc([O-])c1 ZINC000376386996 499604832 /nfs/dbraw/zinc/60/48/32/499604832.db2.gz PJHILVUYUDCANA-OALUTQOASA-N -1 3 365.429 3.122 20 0 FGADHM O=C(Nc1n[n-]c(-c2ccc(Br)cc2F)n1)c1ccncc1 ZINC000409542042 499604848 /nfs/dbraw/zinc/60/48/48/499604848.db2.gz BUFQBXLPQVXBTA-UHFFFAOYSA-N -1 3 362.162 3.021 20 0 FGADHM Cc1ccc2[n-]cc(C(=O)N3CCC(F)(c4cccnc4)CC3)c(=O)c2c1 ZINC000376437372 499608536 /nfs/dbraw/zinc/60/85/36/499608536.db2.gz UBUZVOCTYBIPMA-UHFFFAOYSA-N -1 3 365.408 3.333 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3cccc4c3OCC[C@H]4O)c[n-]c12 ZINC000376456619 499610217 /nfs/dbraw/zinc/61/02/17/499610217.db2.gz WIIZGRAXANLKFH-MRXNPFEDSA-N -1 3 368.364 3.044 20 0 FGADHM O=S(=O)([N-]CCCc1c[nH]c2ccc(F)cc12)c1ccccc1F ZINC000409920435 499629748 /nfs/dbraw/zinc/62/97/48/499629748.db2.gz CRBKTBRMFFXAQN-UHFFFAOYSA-N -1 3 350.390 3.357 20 0 FGADHM CC(C)c1nnc2n1CCN(C(=O)c1cc([O-])c3ccccc3c1)[C@H]2C ZINC000376705596 499630650 /nfs/dbraw/zinc/63/06/50/499630650.db2.gz UXNNXWVUBYOUOP-ZDUSSCGKSA-N -1 3 350.422 3.477 20 0 FGADHM C[C@H](C(=O)N=c1cc(OC(F)F)n(C)[n-]1)c1ccc(C(F)(F)F)cc1 ZINC000409952254 499631562 /nfs/dbraw/zinc/63/15/62/499631562.db2.gz WJIFEWLCRZHYDS-QMMMGPOBSA-N -1 3 363.286 3.204 20 0 FGADHM O=C(c1csc(=O)[n-]1)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000376882859 499643492 /nfs/dbraw/zinc/64/34/92/499643492.db2.gz VUXYDNDLEIRGQQ-AWEZNQCLSA-N -1 3 352.843 3.088 20 0 FGADHM Cc1ccc(CCS(=O)(=O)[N-]Cc2nc(C(F)(F)F)cs2)cc1 ZINC000410128649 499643860 /nfs/dbraw/zinc/64/38/60/499643860.db2.gz CGVMADWDLUXWLW-UHFFFAOYSA-N -1 3 364.414 3.132 20 0 FGADHM COC(=O)c1cc(S(=O)(=O)[N-][C@H](c2ccc(F)cc2)C(C)C)c(C)o1 ZINC000410177979 499647156 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O=c1nc(Cc2noc([C@H]3C[C@@]34CCOC4)n2)[n-]c2scc(C3CC3)c21 ZINC000377453483 499691954 /nfs/dbraw/zinc/69/19/54/499691954.db2.gz VULNOKCGTNSSSP-ADLMAVQZSA-N -1 3 370.434 3.142 20 0 FGADHM COC(=O)c1sc([N-]C(=O)c2nc3cccnc3s2)nc1C(C)C ZINC000411053684 499693616 /nfs/dbraw/zinc/69/36/16/499693616.db2.gz FDIPKNGDOUBBCV-UHFFFAOYSA-N -1 3 362.436 3.310 20 0 FGADHM CCOc1cc(-c2noc(C34CCC(C(=O)OC)(CC3)C4)n2)ccc1[O-] ZINC000377479494 499695374 /nfs/dbraw/zinc/69/53/74/499695374.db2.gz RVMZQUSZXVEIRA-UHFFFAOYSA-N -1 3 358.394 3.216 20 0 FGADHM O=C(NC[C@@H]1CCCN(Cc2ccccc2)C1)c1c(F)ccc([O-])c1F ZINC000377698135 499721487 /nfs/dbraw/zinc/72/14/87/499721487.db2.gz LIBJDHRZZOBJTA-HNNXBMFYSA-N -1 3 360.404 3.312 20 0 FGADHM Cc1cc([C@H]2CCCN2C(=O)c2c[n-]c3c(Cl)cccc3c2=O)on1 ZINC000411435735 499740303 /nfs/dbraw/zinc/74/03/03/499740303.db2.gz CQWPWYMXTFTPQS-CQSZACIVSA-N -1 3 357.797 3.455 20 0 FGADHM Cc1cc([C@H]2CCCN2C(=O)c2cnc3c(Cl)cccc3c2[O-])on1 ZINC000411435735 499740305 /nfs/dbraw/zinc/74/03/05/499740305.db2.gz CQWPWYMXTFTPQS-CQSZACIVSA-N -1 3 357.797 3.455 20 0 FGADHM C[C@@H](CCCC(F)(F)F)NC(=O)C(=O)[N-]c1nccn1-c1ccccc1 ZINC000411462171 499743542 /nfs/dbraw/zinc/74/35/42/499743542.db2.gz XOGPFSHNCZZKGV-LBPRGKRZSA-N -1 3 368.359 3.048 20 0 FGADHM Cc1noc2nc(C)cc(C(=O)Nc3nnc(-c4c(F)cccc4F)[n-]3)c12 ZINC000377963476 499751613 /nfs/dbraw/zinc/75/16/13/499751613.db2.gz UUJLMZHNXHOTRA-UHFFFAOYSA-N -1 3 370.319 3.155 20 0 FGADHM Cc1noc2nc(C)cc(C(=O)Nc3nc(-c4c(F)cccc4F)n[n-]3)c12 ZINC000377963476 499751614 /nfs/dbraw/zinc/75/16/14/499751614.db2.gz UUJLMZHNXHOTRA-UHFFFAOYSA-N -1 3 370.319 3.155 20 0 FGADHM O=C(/C=C/C1CCCCC1)NC1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000378174681 499762156 /nfs/dbraw/zinc/76/21/56/499762156.db2.gz GOOLSRUQJJXFLS-MDZDMXLPSA-N -1 3 356.466 3.250 20 0 FGADHM CC(=O)c1ccc(C(=O)NC[C@H]2CCCO[C@@H]2c2ccccc2)cc1[O-] ZINC000411617452 499769605 /nfs/dbraw/zinc/76/96/05/499769605.db2.gz KPWCQSWYFLOXMC-YLJYHZDGSA-N -1 3 353.418 3.493 20 0 FGADHM COC(C)(C)CS(=O)(=O)[N-]c1ccc(Br)c(Cl)c1 ZINC000414378070 499783393 /nfs/dbraw/zinc/78/33/93/499783393.db2.gz XVMSHCFNNGFIRE-UHFFFAOYSA-N -1 3 356.669 3.269 20 0 FGADHM COC(C)(C)CS(=O)(=O)[N-]c1cccc(Nc2nc(C)cs2)c1 ZINC000414380004 499783862 /nfs/dbraw/zinc/78/38/62/499783862.db2.gz JUNBLSFRWJEYBE-UHFFFAOYSA-N -1 3 355.485 3.362 20 0 FGADHM COC(=O)[C@H](C)c1ccc([N-]S(=O)(=O)c2ccc(OC)c(C)c2)cc1 ZINC000414391464 499785467 /nfs/dbraw/zinc/78/54/67/499785467.db2.gz BGTOLKCSHZTMCC-CYBMUJFWSA-N -1 3 363.435 3.081 20 0 FGADHM CC[C@@H](NC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1)[C@H](O)C(C)C ZINC000414412650 499788569 /nfs/dbraw/zinc/78/85/69/499788569.db2.gz LAKUYTVWHRRNHS-CRAIPNDOSA-N -1 3 358.442 3.075 20 0 FGADHM CC(=O)c1ccc(C(=O)Nc2cccc(CN3CCCCC3=O)c2)cc1[O-] ZINC000411800287 499792085 /nfs/dbraw/zinc/79/20/85/499792085.db2.gz SYRIVQPAQQROCU-UHFFFAOYSA-N -1 3 366.417 3.360 20 0 FGADHM Cc1cc([N-]S(=O)(=O)c2cccnc2C(F)(F)F)ccc1CN(C)C ZINC000414466810 499795772 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C[C@H]1[C@H](CO)CCCN1Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000412091166 499822418 /nfs/dbraw/zinc/82/24/18/499822418.db2.gz QNGMRBLBOYPRNW-RYUDHWBXSA-N -1 3 359.451 3.250 20 0 FGADHM Cc1cc([C@@H]2CCCN(C(=O)c3c[n-]c4c(Cl)cccc4c3=O)C2)[nH]n1 ZINC000412145100 499827586 /nfs/dbraw/zinc/82/75/86/499827586.db2.gz CKWGJZWEBIVLJL-GFCCVEGCSA-N -1 3 370.840 3.233 20 0 FGADHM C[C@H]1CCN(C(=O)c2c[n-]c3c(Cl)cccc3c2=O)C[C@@H]1n1ccnc1 ZINC000412182086 499831547 /nfs/dbraw/zinc/83/15/47/499831547.db2.gz DVBCFKURCIJFEA-LRDDRELGSA-N -1 3 370.840 3.101 20 0 FGADHM CC(=O)c1ccc(C(=O)N[C@H]2CCO[C@H]2c2ccc(F)c(F)c2)cc1[O-] ZINC000412226772 499836151 /nfs/dbraw/zinc/83/61/51/499836151.db2.gz CPUCCNFVKCIPSK-WMZOPIPTSA-N -1 3 361.344 3.133 20 0 FGADHM COc1ccc([C@@H](OC)[C@@H](C)NC(=O)c2ccc(C(C)=O)c([O-])c2)cc1 ZINC000412228992 499836372 /nfs/dbraw/zinc/83/63/72/499836372.db2.gz MAGSQQZDQOOIOO-BLVKFPJESA-N -1 3 357.406 3.109 20 0 FGADHM COc1ccc2c(c1)[n-]cc(C(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C)c2=O ZINC000412266113 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FGADHM C[C@@H]1CN(C(=O)Cc2ccc([O-])cc2Cl)C[C@H]1C(=O)OC(C)(C)C ZINC000412970727 499901042 /nfs/dbraw/zinc/90/10/42/499901042.db2.gz VJJULVIDQOAMKS-BXUZGUMPSA-N -1 3 353.846 3.024 20 0 FGADHM Cc1ncoc1C(=O)[N-]c1sc2c(c1C(=O)OC(C)(C)C)CCOC2 ZINC000416025338 499942393 /nfs/dbraw/zinc/94/23/93/499942393.db2.gz VACWBYOKKZQZSB-UHFFFAOYSA-N -1 3 364.423 3.325 20 0 FGADHM COc1ccc(C(C)(C)c2nc(-c3ccc4n[n-]nc4c3)no2)cc1OC ZINC000573301882 506166102 /nfs/dbraw/zinc/16/61/02/506166102.db2.gz QYWNEUOBMPSUAQ-UHFFFAOYSA-N -1 3 365.393 3.351 20 0 FGADHM Cc1cc(NCc2cc(=O)[n-]c(C3CC3)n2)nn1-c1cccc(Cl)c1 ZINC000417038573 499954882 /nfs/dbraw/zinc/95/48/82/499954882.db2.gz VFDHLGPMBWBGLC-UHFFFAOYSA-N -1 3 355.829 3.241 20 0 FGADHM CCOC(=O)c1cnc([N-]C(=O)Nc2cccc(COC(C)C)c2)n1C ZINC000417099322 499971858 /nfs/dbraw/zinc/97/18/58/499971858.db2.gz HGNMRIBWDBCBLJ-UHFFFAOYSA-N -1 3 360.414 3.166 20 0 FGADHM O=S(=O)([N-][C@H]1CC[C@H](F)C1)c1cnc2onc(-c3ccccc3)c2c1 ZINC000579412194 506167996 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500325188 /nfs/dbraw/zinc/32/51/88/500325188.db2.gz ATJAPMXZARGNHK-QGZVFWFLSA-N -1 3 356.422 3.023 20 0 FGADHM Cc1cc(CS(=O)(=O)[N-][C@H]2CCCC[C@H]2Oc2cccc(C)c2)no1 ZINC000570533920 506189760 /nfs/dbraw/zinc/18/97/60/506189760.db2.gz BUFFEHDTZPWOMS-ZWKOTPCHSA-N -1 3 364.467 3.101 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)cnc1N)c1cc2ccccc2o1 ZINC000431075835 500332671 /nfs/dbraw/zinc/33/26/71/500332671.db2.gz BTTIHELQHMPVNR-SECBINFHSA-N -1 3 351.815 3.103 20 0 FGADHM O=C(Nc1ccc(OCC(F)(F)F)c(C(F)(F)F)c1)c1cnn[n-]1 ZINC000426925417 500337386 /nfs/dbraw/zinc/33/73/86/500337386.db2.gz SVEXTOUPNZBKOR-UHFFFAOYSA-N -1 3 354.210 3.017 20 0 FGADHM O=C(Nc1ccc(OCC(F)(F)F)c(C(F)(F)F)c1)c1c[n-]nn1 ZINC000426925417 500337388 /nfs/dbraw/zinc/33/73/88/500337388.db2.gz SVEXTOUPNZBKOR-UHFFFAOYSA-N -1 3 354.210 3.017 20 0 FGADHM O=C(Nc1ccc(OCC(F)(F)F)c(C(F)(F)F)c1)c1cn[n-]n1 ZINC000426925417 500337391 /nfs/dbraw/zinc/33/73/91/500337391.db2.gz SVEXTOUPNZBKOR-UHFFFAOYSA-N -1 3 354.210 3.017 20 0 FGADHM CCCC[C@H](NC(=O)CNC(=O)c1cccc([O-])c1)c1ccc(OC)cc1 ZINC000427065133 500349988 /nfs/dbraw/zinc/34/99/88/500349988.db2.gz QWWBLFIZUSHBAW-IBGZPJMESA-N -1 3 370.449 3.178 20 0 FGADHM COC(=O)c1csc(S(=O)(=O)[N-][C@@H]2CC(C)(C)c3ccccc32)c1 ZINC000431294200 500360197 /nfs/dbraw/zinc/36/01/97/500360197.db2.gz FDZVGALPKPXXJG-CQSZACIVSA-N -1 3 365.476 3.236 20 0 FGADHM COC1CCC(C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000427251462 500373582 /nfs/dbraw/zinc/37/35/82/500373582.db2.gz SNDQXULJKZNWRA-UHFFFAOYSA-N -1 3 352.283 3.477 20 0 FGADHM Cc1ccc([C@H]2CCC[C@@H]2N(C)C(=O)CNC(=O)c2cccc([O-])c2)cc1 ZINC000427255035 500373914 /nfs/dbraw/zinc/37/39/14/500373914.db2.gz DDPCFJJHBIVNQI-UXHICEINSA-N -1 3 366.461 3.225 20 0 FGADHM COc1ccccc1NC(=O)[C@H](C)SCc1cc(=O)[n-]c(C2CC2)n1 ZINC000419588946 500382367 /nfs/dbraw/zinc/38/23/67/500382367.db2.gz PQOXLKSHUKYPGK-NSHDSACASA-N -1 3 359.451 3.329 20 0 FGADHM COc1cccc(CNC(=O)[C@H](C)SCc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000419600627 500383420 /nfs/dbraw/zinc/38/34/20/500383420.db2.gz HNQPMHOOZZTDTB-LBPRGKRZSA-N -1 3 373.478 3.006 20 0 FGADHM C[C@@H](SCc1cc(=O)[n-]c(C2CC2)n1)C(=O)NCc1ccc(F)cc1 ZINC000419605151 500383865 /nfs/dbraw/zinc/38/38/65/500383865.db2.gz PPAMKMYELMJWDZ-LLVKDONJSA-N -1 3 361.442 3.137 20 0 FGADHM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc2c(cc(C)c(=O)n2C)c1 ZINC000427353897 500385214 /nfs/dbraw/zinc/38/52/14/500385214.db2.gz DJDWPHHXJSLQIY-UHFFFAOYSA-N -1 3 360.410 3.095 20 0 FGADHM Cc1ccc(F)cc1CNc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000419753929 500393497 /nfs/dbraw/zinc/39/34/97/500393497.db2.gz OEILKFYXZCUJDQ-UHFFFAOYSA-N -1 3 352.406 3.326 20 0 FGADHM COC(=O)c1cc(S(=O)(=O)N(c2ccsc2)C2CCCCC2)c[n-]1 ZINC000431612127 500398195 /nfs/dbraw/zinc/39/81/95/500398195.db2.gz YKTSXJYWGPGBQC-UHFFFAOYSA-N -1 3 368.480 3.391 20 0 FGADHM CCOc1nc2cc(C(=O)NCCCCc3nc(C)cs3)ccc2[n-]1 ZINC000431771085 500422548 /nfs/dbraw/zinc/42/25/48/500422548.db2.gz HFIKTDKSNFNLIQ-UHFFFAOYSA-N -1 3 358.467 3.479 20 0 FGADHM CCOc1nc2ccc(C(=O)NCCCCc3nc(C)cs3)cc2[n-]1 ZINC000431771085 500422550 /nfs/dbraw/zinc/42/25/50/500422550.db2.gz HFIKTDKSNFNLIQ-UHFFFAOYSA-N -1 3 358.467 3.479 20 0 FGADHM Cc1cc(NC(=O)Cc2c(C)nc(C)[n-]c2=O)cc(C)c1Br ZINC000427797831 500433759 /nfs/dbraw/zinc/43/37/59/500433759.db2.gz LOYDKCDQPXPKQW-UHFFFAOYSA-N -1 3 364.243 3.360 20 0 FGADHM Cn1c(=O)ccc2ccc(NC(=O)CCCc3ccc([O-])c(F)c3)cc21 ZINC000427815498 500436218 /nfs/dbraw/zinc/43/62/18/500436218.db2.gz FSFIPTUAJDEBFJ-UHFFFAOYSA-N -1 3 354.381 3.345 20 0 FGADHM CCCCC[C@H]1NC(=O)N(Cc2ccc([O-])c(Br)c2)C1=O ZINC000431871342 500436849 /nfs/dbraw/zinc/43/68/49/500436849.db2.gz LHEBRTATKZXPAQ-GFCCVEGCSA-N -1 3 355.232 3.155 20 0 FGADHM O=S(=O)(CCOCC1CC1)[N-]c1ccccc1COc1ccccc1 ZINC000424060062 500445457 /nfs/dbraw/zinc/44/54/57/500445457.db2.gz CGSBAPLZDZBKCH-UHFFFAOYSA-N -1 3 361.463 3.434 20 0 FGADHM O=S(=O)(CCOCC1CC1)[N-]c1ccc2nc(C3CC3)sc2c1 ZINC000424069493 500446928 /nfs/dbraw/zinc/44/69/28/500446928.db2.gz UYTYTOHRPWHACR-UHFFFAOYSA-N -1 3 352.481 3.342 20 0 FGADHM CC(C)Cn1cc(C(=O)N=c2cc(OC(F)F)n(C)[n-]2)c2ccccc21 ZINC000427949656 500449556 /nfs/dbraw/zinc/44/95/56/500449556.db2.gz YKGGKJJDYDMPGR-UHFFFAOYSA-N -1 3 362.380 3.306 20 0 FGADHM Cn1[n-]c(=NC(=O)CCSc2ccccc2Cl)cc1OC(F)F ZINC000427959597 500451173 /nfs/dbraw/zinc/45/11/73/500451173.db2.gz MQJIXXRTODHARY-UHFFFAOYSA-N -1 3 361.801 3.218 20 0 FGADHM COC(=O)c1[n-]c(=NCC2(c3ccccc3C)CCOCC2)sc1C ZINC000427983218 500454463 /nfs/dbraw/zinc/45/44/63/500454463.db2.gz KXMHMHMVHFHPEM-UHFFFAOYSA-N -1 3 360.479 3.129 20 0 FGADHM Cc1nc(S(=O)(=O)[C@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)[n-]c1C ZINC000424199599 500467511 /nfs/dbraw/zinc/46/75/11/500467511.db2.gz COXNZGBBWYSYFT-GFCCVEGCSA-N -1 3 369.874 3.098 20 0 FGADHM Cn1[n-]c(=NC(=O)c2cccc3c4c([nH]c32)CCCC4)cc1OC(F)F ZINC000428123295 500471749 /nfs/dbraw/zinc/47/17/49/500471749.db2.gz WEUHWVQIMADOAE-UHFFFAOYSA-N -1 3 360.364 3.056 20 0 FGADHM C[C@@H](NC(=O)N=c1cc2ccccn2[n-]1)c1nc2ccccc2n1C(F)F ZINC000576609325 506197901 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CO[C@H](CC(C)C)CS(=O)(=O)[N-][C@H]1CCCO[C@@H]1c1ccc(C)cc1 ZINC000420662592 500484971 /nfs/dbraw/zinc/48/49/71/500484971.db2.gz BHLAEFREKCZBJP-CEXWTWQISA-N -1 3 369.527 3.196 20 0 FGADHM CO[C@@H](CC(C)C)CS(=O)(=O)[N-][C@@H](c1nccs1)c1ccccc1 ZINC000420673310 500486369 /nfs/dbraw/zinc/48/63/69/500486369.db2.gz ZIDOCNQGRGXTSW-JKSUJKDBSA-N -1 3 368.524 3.213 20 0 FGADHM CS[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(F)ccc2OC(F)F)C1 ZINC000420681353 500487710 /nfs/dbraw/zinc/48/77/10/500487710.db2.gz RZAVIDDMMUIOGD-GHMZBOCLSA-N -1 3 369.430 3.380 20 0 FGADHM CO[C@@H](CC(C)C)CS(=O)(=O)[N-][C@@H](C)c1nc(C(C)(C)C)cs1 ZINC000420684316 500488041 /nfs/dbraw/zinc/48/80/41/500488041.db2.gz WRQLTTGSYDSZEC-STQMWFEESA-N -1 3 362.561 3.482 20 0 FGADHM C[C@H]1C[C@@H](C[N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)F)CCO1 ZINC000420689641 500488584 /nfs/dbraw/zinc/48/85/84/500488584.db2.gz OAWWVPFGGQYYSR-UWVGGRQHSA-N -1 3 369.817 3.035 20 0 FGADHM CC[C@H](CS(=O)(=O)[N-]Cc1nc(C)c(-c2ccc(Cl)cc2)o1)OC ZINC000420698357 500488983 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O=S(=O)([N-][C@@H]1Cc2cccc(O)c2C1)c1cccc(Cl)c1Cl ZINC000428387332 500503498 /nfs/dbraw/zinc/50/34/98/500503498.db2.gz KLOUUWSJPKXNOS-SNVBAGLBSA-N -1 3 358.246 3.145 20 0 FGADHM CC(C)C[C@H](CNC(=O)NCCN1CCC2(CCCCC2)CC1)C(=O)[O-] ZINC000424450011 500507929 /nfs/dbraw/zinc/50/79/29/500507929.db2.gz MROXBQQUXOIZLH-QGZVFWFLSA-N -1 3 367.534 3.079 20 0 FGADHM Cc1noc(C[C@H](NC(=O)NCc2ccc([O-])c(F)c2)c2ccccc2)n1 ZINC000428614939 500533072 /nfs/dbraw/zinc/53/30/72/500533072.db2.gz DBPALGGZGMQSIT-INIZCTEOSA-N -1 3 370.384 3.006 20 0 FGADHM O=S(=O)([N-]C[C@H]1CCO[C@@H]1c1ccccc1)c1cc(F)c(F)c(F)c1 ZINC000582395329 506201656 /nfs/dbraw/zinc/20/16/56/506201656.db2.gz SQNIIMONGYGGNS-SJKOYZFVSA-N -1 3 371.380 3.160 20 0 FGADHM C[C@H]1C[C@H](CO)CN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)C1 ZINC000420954721 500540890 /nfs/dbraw/zinc/54/08/90/500540890.db2.gz ZUTRUOBKWWHBGJ-RYUDHWBXSA-N -1 3 359.451 3.107 20 0 FGADHM CCC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccc(N(C)C)cc2)c1 ZINC000432773586 500561641 /nfs/dbraw/zinc/56/16/41/500561641.db2.gz HXUFVTMDYAXQHZ-UHFFFAOYSA-N -1 3 361.467 3.210 20 0 FGADHM COc1ccc([C@@H](CN2CCCC2)NC(=O)c2cc(F)ccc2[O-])cc1 ZINC000436931205 500573567 /nfs/dbraw/zinc/57/35/67/500573567.db2.gz JVCBWAJOPMVWEY-GOSISDBHSA-N -1 3 358.413 3.107 20 0 FGADHM CCc1cc(CC)nc(NC2CCN(C(=O)c3ccccc3[O-])CC2)n1 ZINC000436940477 500575457 /nfs/dbraw/zinc/57/54/57/500575457.db2.gz APKUOUPNAFOUTB-UHFFFAOYSA-N -1 3 354.454 3.024 20 0 FGADHM Cc1ccc(CNC(=O)c2ccc([O-])c(C)c2)c(OC[C@H]2CCOC2)c1 ZINC000436941059 500575623 /nfs/dbraw/zinc/57/56/23/500575623.db2.gz ZUYAJLOBNAZJAC-INIZCTEOSA-N -1 3 355.434 3.354 20 0 FGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1cn2cc(Cl)cc(Cl)c2n1 ZINC000442252601 500575919 /nfs/dbraw/zinc/57/59/19/500575919.db2.gz MMDFUVNTXZEHMO-UHFFFAOYSA-N -1 3 374.191 3.074 20 0 FGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1cn2cc(Cl)cc(Cl)c2n1 ZINC000442252601 500575923 /nfs/dbraw/zinc/57/59/23/500575923.db2.gz MMDFUVNTXZEHMO-UHFFFAOYSA-N -1 3 374.191 3.074 20 0 FGADHM O=C(c1ccccc1[O-])N1CCC(Nc2nc(C(F)(F)F)cs2)CC1 ZINC000436944089 500576082 /nfs/dbraw/zinc/57/60/82/500576082.db2.gz OPVXPBBRDUJDCF-UHFFFAOYSA-N -1 3 371.384 3.006 20 0 FGADHM COc1cc2c(cc1OC)CN(C(=O)c1ccc3c(c1[O-])CCCC3)CC2 ZINC000436948098 500576906 /nfs/dbraw/zinc/57/69/06/500576906.db2.gz OCDBQYOGLKMJKK-UHFFFAOYSA-N -1 3 367.445 3.487 20 0 FGADHM CCCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)c2ccc3c(c2[O-])CCCC3)C1 ZINC000436952581 500577920 /nfs/dbraw/zinc/57/79/20/500577920.db2.gz XCOSGZFCNOLTKJ-WBVHZDCISA-N -1 3 372.509 3.428 20 0 FGADHM CCc1ccc(NC(=O)NCCNC(=O)c2ccc([O-])cc2)cc1Cl ZINC000436960950 500580368 /nfs/dbraw/zinc/58/03/68/500580368.db2.gz SNAQJYQKXJXRRF-UHFFFAOYSA-N -1 3 361.829 3.160 20 0 FGADHM CC(C)(CC(=O)Nc1nnc(C(F)(F)F)[n-]1)CC(=O)c1ccccc1 ZINC000442308407 500580673 /nfs/dbraw/zinc/58/06/73/500580673.db2.gz UIZQGMJSKYHPAE-UHFFFAOYSA-N -1 3 354.332 3.451 20 0 FGADHM CC(C)(CC(=O)Nc1nc(C(F)(F)F)n[n-]1)CC(=O)c1ccccc1 ZINC000442308407 500580676 /nfs/dbraw/zinc/58/06/76/500580676.db2.gz UIZQGMJSKYHPAE-UHFFFAOYSA-N -1 3 354.332 3.451 20 0 FGADHM CCCCCn1nc(C)cc1NC(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC000436968020 500581675 /nfs/dbraw/zinc/58/16/75/500581675.db2.gz ZYMLHXILMOIJFG-UHFFFAOYSA-N -1 3 372.469 3.154 20 0 FGADHM C[C@H](CS(=O)(=O)[N-]c1cccc(F)c1-c1nc[nH]n1)c1ccccc1 ZINC000447262616 500581698 /nfs/dbraw/zinc/58/16/98/500581698.db2.gz FLVDIXVDMADYNO-GFCCVEGCSA-N -1 3 360.414 3.156 20 0 FGADHM CC[C@@H]1CCCC[C@@H]1C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436970839 500582525 /nfs/dbraw/zinc/58/25/25/500582525.db2.gz GUILOVOPPIWRHU-WBVHZDCISA-N -1 3 358.482 3.329 20 0 FGADHM COc1ccc([C@@H](CCO)NC(=O)c2ccc3c(c2[O-])CCCC3)cc1 ZINC000436970639 500582891 /nfs/dbraw/zinc/58/28/91/500582891.db2.gz FJKYRLMMAAZRRX-LJQANCHMSA-N -1 3 355.434 3.133 20 0 FGADHM COc1cccc(C2(NC(=O)c3ccc([O-])c(C)c3)CCOCC2)c1F ZINC000447289225 500585756 /nfs/dbraw/zinc/58/57/56/500585756.db2.gz WUOCREGIQNAFPJ-UHFFFAOYSA-N -1 3 359.397 3.284 20 0 FGADHM 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3.474 20 0 FGADHM Cc1c(Br)cc(C(=O)Nc2cc(Cl)ccc2[O-])c(=O)n1C ZINC000434364140 500832617 /nfs/dbraw/zinc/83/26/17/500832617.db2.gz NETBVHOOPRONJN-UHFFFAOYSA-N -1 3 371.618 3.068 20 0 FGADHM O=C(N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1)[C@@H]1CCCc2cccnc21 ZINC000444307179 500832983 /nfs/dbraw/zinc/83/29/83/500832983.db2.gz YEZYHIZJLMVPHP-OAHLLOKOSA-N -1 3 354.360 3.230 20 0 FGADHM C[C@@H]1CCN(c2cc(C(=O)Nc3n[n-]c(-c4ccccc4F)n3)ccn2)C1 ZINC000438895662 500833177 /nfs/dbraw/zinc/83/31/77/500833177.db2.gz KMNBEUUPDKCROI-GFCCVEGCSA-N -1 3 366.400 3.104 20 0 FGADHM COc1ccccc1CN(C[C@H]1CCCO1)C(=O)Cc1ccc([O-])c(F)c1 ZINC000448831651 500846936 /nfs/dbraw/zinc/84/69/36/500846936.db2.gz TWOASTIVKKWFQQ-QGZVFWFLSA-N -1 3 373.424 3.290 20 0 FGADHM C[C@@H](NC(=O)c1cc(Cc2ccccc2)ccc1[O-])C(=O)N1CCCCC1 ZINC000439061202 500852409 /nfs/dbraw/zinc/85/24/09/500852409.db2.gz RUXGCVXTSVFNSP-MRXNPFEDSA-N -1 3 366.461 3.114 20 0 FGADHM O=C(NC[C@]1(O)CCC[C@H](C(F)(F)F)C1)c1ccc2c(c1[O-])CCCC2 ZINC000444489932 500853376 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COC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H](C)c2cccc(C)c2)cc1F ZINC000445066142 500940115 /nfs/dbraw/zinc/94/01/15/500940115.db2.gz OTQAIYOSJBYZHH-CYBMUJFWSA-N -1 3 365.426 3.003 20 0 FGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@@H](C)C(=O)OC(C)(C)C ZINC000435228277 500946315 /nfs/dbraw/zinc/94/63/15/500946315.db2.gz YNWWIKLUBHXGNS-JTQLQIEISA-N -1 3 373.858 3.403 20 0 FGADHM COC[C@@H]1CN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])C[C@@H](C)O1 ZINC000439934915 500957096 /nfs/dbraw/zinc/95/70/96/500957096.db2.gz LPMPEQLHVGPVAI-APWZRJJASA-N -1 3 369.461 3.053 20 0 FGADHM C[C@H](C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)CN1CCCC1 ZINC000435421484 500971272 /nfs/dbraw/zinc/97/12/72/500971272.db2.gz JKSYTWOWWOIBFA-SNVBAGLBSA-N -1 3 369.289 3.143 20 0 FGADHM CCOc1ccccc1NC(=O)Cc1noc(-c2ccc(C)cc2[O-])n1 ZINC000445348079 500976164 /nfs/dbraw/zinc/97/61/64/500976164.db2.gz AHJXCOZOWZUOIF-UHFFFAOYSA-N -1 3 353.378 3.331 20 0 FGADHM Cc1nc([N-]C(=O)COc2cc(C)ccc2C(C)C)n(-c2ccccc2)n1 ZINC000440130099 500978736 /nfs/dbraw/zinc/97/87/36/500978736.db2.gz FXEVKZLVQCWTFU-UHFFFAOYSA-N -1 3 364.449 3.447 20 0 FGADHM CCOc1cc(-c2noc(-c3nc(-c4cnn(C)c4)oc3C)n2)ccc1[O-] ZINC000445430694 500984698 /nfs/dbraw/zinc/98/46/98/500984698.db2.gz KJJOZTPOPXJTSI-UHFFFAOYSA-N -1 3 367.365 3.205 20 0 FGADHM CCOc1cc(-c2noc(CCNC(=O)C3CCCCC3)n2)ccc1[O-] ZINC000445428767 500984859 /nfs/dbraw/zinc/98/48/59/500984859.db2.gz XDNKCDMTBUFYOS-UHFFFAOYSA-N -1 3 359.426 3.080 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1)c1nc(-c2ccoc2)no1 ZINC000445457803 500989410 /nfs/dbraw/zinc/98/94/10/500989410.db2.gz PDOXBKUIZYUWQP-SECBINFHSA-N -1 3 353.787 3.023 20 0 FGADHM CC(C)c1ccc(C(=O)NCCc2nc(-c3ccccc3)n[nH]2)c([O-])c1 ZINC000440301400 500995315 /nfs/dbraw/zinc/99/53/15/500995315.db2.gz CMZUJZSEQIWFFJ-UHFFFAOYSA-N -1 3 350.422 3.273 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]CCc2cccc3cccnc32)c(F)cc1F ZINC000440382113 501002551 /nfs/dbraw/zinc/00/25/51/501002551.db2.gz JVPVNNHISZVDLS-UHFFFAOYSA-N -1 3 362.401 3.342 20 0 FGADHM CCc1[n-][nH]c(=NC(=O)c2cc(F)cc(F)c2)c1-c1ccc2c(c1)OCO2 ZINC000440462377 501010790 /nfs/dbraw/zinc/01/07/90/501010790.db2.gz CBTIAKJFVWKZAX-UHFFFAOYSA-N -1 3 371.343 3.320 20 0 FGADHM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-][C@@H](CC(F)(F)F)C(C)C ZINC000445697890 501021097 /nfs/dbraw/zinc/02/10/97/501021097.db2.gz VEDDCWMVYUEEHD-ZDUSSCGKSA-N -1 3 369.453 3.411 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)c3cn(C)c4ccc(F)cc34)[n-]c21 ZINC000435769473 501025747 /nfs/dbraw/zinc/02/57/47/501025747.db2.gz WHONLEWBOPPNHX-UHFFFAOYSA-N -1 3 366.352 3.233 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cn(C)c4ccc(F)cc34)nc21 ZINC000435769473 501025750 /nfs/dbraw/zinc/02/57/50/501025750.db2.gz WHONLEWBOPPNHX-UHFFFAOYSA-N -1 3 366.352 3.233 20 0 FGADHM CCN(Cc1ccccc1)C(=O)Cc1noc(-c2cccc(C)c2[O-])n1 ZINC000445787336 501032508 /nfs/dbraw/zinc/03/25/08/501032508.db2.gz NXVNPQNGIXGSAZ-UHFFFAOYSA-N -1 3 351.406 3.342 20 0 FGADHM Cn1c(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)nc2cc(F)ccc21 ZINC000440735921 501044089 /nfs/dbraw/zinc/04/40/89/501044089.db2.gz XBOBHNJZFYSPST-UHFFFAOYSA-N -1 3 355.369 3.384 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)c3ccc(OC)c(C4CC4)c3)[n-]c21 ZINC000435906453 501044662 /nfs/dbraw/zinc/04/46/62/501044662.db2.gz KWOSMWIJCFCZAM-UHFFFAOYSA-N -1 3 365.389 3.488 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccc(OC)c(C4CC4)c3)nc21 ZINC000435906453 501044666 /nfs/dbraw/zinc/04/46/66/501044666.db2.gz KWOSMWIJCFCZAM-UHFFFAOYSA-N -1 3 365.389 3.488 20 0 FGADHM O=C(NCc1c(F)cc(F)c(F)c1F)c1cc(=O)c2ccccc2[n-]1 ZINC000435917951 501046188 /nfs/dbraw/zinc/04/61/88/501046188.db2.gz SHLRQPCVERVYGM-UHFFFAOYSA-N -1 3 350.271 3.015 20 0 FGADHM O=c1[nH]c(CC(F)(F)F)c([O-])n1-c1cccc(Oc2ccncc2)c1 ZINC000445978088 501057434 /nfs/dbraw/zinc/05/74/34/501057434.db2.gz RHVDYNHXBKDTKG-ZDUSSCGKSA-N -1 3 351.284 3.251 20 0 FGADHM Cc1cc(=O)[nH]cc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC000436020719 501057841 /nfs/dbraw/zinc/05/78/41/501057841.db2.gz RPDJVEPFURAIOE-UHFFFAOYSA-N -1 3 350.293 3.054 20 0 FGADHM CCO[C@@H](C)c1ncc(C(=O)[N-]c2c(F)cccc2C(=O)OC)s1 ZINC000446104860 501075210 /nfs/dbraw/zinc/07/52/10/501075210.db2.gz MXYVPKHVSSAZEY-VIFPVBQESA-N -1 3 352.387 3.419 20 0 FGADHM CCN(C(=O)C(=O)[N-]c1scc(CC(C)C)c1C(=O)OC)C1CCC1 ZINC000441076212 501084404 /nfs/dbraw/zinc/08/44/04/501084404.db2.gz CPRNCDPEMZXRKT-UHFFFAOYSA-N -1 3 366.483 3.073 20 0 FGADHM CC(C)c1n[n-]c(=N[C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)o1 ZINC000450330622 501092994 /nfs/dbraw/zinc/09/29/94/501092994.db2.gz JUTSVOWUFLPWET-AWEZNQCLSA-N -1 3 354.376 3.320 20 0 FGADHM CC(C)CC(CC(C)C)C(=O)Nc1ccc(C[C@@H]2NC(=O)[N-]C2=O)cc1 ZINC000450356124 501098724 /nfs/dbraw/zinc/09/87/24/501098724.db2.gz FXDUXDJRUIBSHM-KRWDZBQOSA-N -1 3 359.470 3.084 20 0 FGADHM COc1ccc(CC(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)c(F)c1 ZINC000436321251 501107819 /nfs/dbraw/zinc/10/78/19/501107819.db2.gz YWHINOHIGKGEBG-UHFFFAOYSA-N -1 3 367.380 3.074 20 0 FGADHM COC(=O)c1ccc([O-])c(NC(=O)c2[nH]c(-c3cccc(C)c3)nc2C)c1 ZINC000436502903 501141454 /nfs/dbraw/zinc/14/14/54/501141454.db2.gz FAMDPJIHFYGXTC-UHFFFAOYSA-N -1 3 365.389 3.438 20 0 FGADHM CC(C)(C)n1ncnc1CNC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436510432 501143791 /nfs/dbraw/zinc/14/37/91/501143791.db2.gz GWODKRYHGYVXFH-UHFFFAOYSA-N -1 3 366.421 3.461 20 0 FGADHM COc1ccc(C(=O)NCc2ccc(COC3CCOCC3)cc2)c([O-])c1 ZINC000436517374 501145835 /nfs/dbraw/zinc/14/58/35/501145835.db2.gz XOWOJXZYUJUNQY-UHFFFAOYSA-N -1 3 371.433 3.026 20 0 FGADHM CC(C)c1ccc(C(=O)NC[C@H]2CC(=O)N(Cc3ccccc3)C2)c([O-])c1 ZINC000436524750 501147957 /nfs/dbraw/zinc/14/79/57/501147957.db2.gz KOHORWLBAAIZJP-QGZVFWFLSA-N -1 3 366.461 3.294 20 0 FGADHM CSC[C@](C)(O)CNC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436526157 501148116 /nfs/dbraw/zinc/14/81/16/501148116.db2.gz DYSWQKNLEHZODO-HXUWFJFHSA-N -1 3 359.491 3.021 20 0 FGADHM CCCN(CC(=O)OCC)C(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436541989 501151971 /nfs/dbraw/zinc/15/19/71/501151971.db2.gz BMAXSUJKOKPUAE-UHFFFAOYSA-N -1 3 371.433 3.387 20 0 FGADHM CC[C@@H](C[N-]S(=O)(=O)c1c(C)noc1C)Oc1cccc(Cl)c1 ZINC000441532406 501152059 /nfs/dbraw/zinc/15/20/59/501152059.db2.gz FBSMILSAVIFRED-ZDUSSCGKSA-N -1 3 358.847 3.081 20 0 FGADHM Cc1cc(CS(=O)(=O)[N-]Cc2ccc(C)cc2OC(C)(C)C)on1 ZINC000441548024 501153306 /nfs/dbraw/zinc/15/33/06/501153306.db2.gz RUFHWQTWKKZDHY-UHFFFAOYSA-N -1 3 352.456 3.088 20 0 FGADHM O=C(NCCCNC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1)c1cccc([O-])c1 ZINC000588218114 506237036 /nfs/dbraw/zinc/23/70/36/506237036.db2.gz DXNPOBZJKNEHSU-MSOLQXFVSA-N -1 3 372.852 3.085 20 0 FGADHM CCOC(=O)CN(CCc1ccccc1)C(=O)c1cc(CC)ccc1[O-] ZINC000436548911 501154551 /nfs/dbraw/zinc/15/45/51/501154551.db2.gz NYGOEPUDOPDBQK-UHFFFAOYSA-N -1 3 355.434 3.203 20 0 FGADHM COc1ccc(C(=O)N[C@@H]2CCN(C)[C@H]2c2ccc(Cl)cc2)c([O-])c1 ZINC000436578657 501161094 /nfs/dbraw/zinc/16/10/94/501161094.db2.gz ASNCJQIQEOFFPG-AEFFLSMTSA-N -1 3 360.841 3.229 20 0 FGADHM CC(C)c1ccc(C(=O)Nc2cccn(CC(F)(F)F)c2=O)c([O-])c1 ZINC000436578533 501161213 /nfs/dbraw/zinc/16/12/13/501161213.db2.gz AAZWWKOEKPCPBV-UHFFFAOYSA-N -1 3 354.328 3.492 20 0 FGADHM O=C(Nc1nnc2n1CCCC2)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436580605 501161884 /nfs/dbraw/zinc/16/18/84/501161884.db2.gz GRAJHWLAYOCMCT-UHFFFAOYSA-N -1 3 350.378 3.365 20 0 FGADHM CC[C@H]1Oc2cc([C@H](C)NC(=O)c3ccc(OC)cc3[O-])ccc2NC1=O ZINC000436588343 501163634 /nfs/dbraw/zinc/16/36/34/501163634.db2.gz MMDGQVQRYMSAEF-APPDUMDISA-N -1 3 370.405 3.001 20 0 FGADHM CC1(C)Cc2ccc(C(=O)NCc3ccc(OC(F)F)cn3)c([O-])c2O1 ZINC000446786555 501165202 /nfs/dbraw/zinc/16/52/02/501165202.db2.gz QOBFUQDKUKRPTI-UHFFFAOYSA-N -1 3 364.348 3.032 20 0 FGADHM CCOc1nc2ccc(C(=O)N3CCOC[C@H]3c3ccccc3)cc2[n-]1 ZINC000450053328 501165400 /nfs/dbraw/zinc/16/54/00/501165400.db2.gz QLJVESSBQMAOIV-SFHVURJKSA-N -1 3 351.406 3.175 20 0 FGADHM CCOc1nc2cc(C(=O)N3CCOC[C@H]3c3ccccc3)ccc2[n-]1 ZINC000450053328 501165404 /nfs/dbraw/zinc/16/54/04/501165404.db2.gz QLJVESSBQMAOIV-SFHVURJKSA-N -1 3 351.406 3.175 20 0 FGADHM CCCCOc1ccc(C(=O)NCc2csc(COC)n2)c([O-])c1 ZINC000436596493 501165646 /nfs/dbraw/zinc/16/56/46/501165646.db2.gz MLTSURJRVWIYCK-UHFFFAOYSA-N -1 3 350.440 3.104 20 0 FGADHM CCc1cc(C(=O)NCc2cccc(C(=O)N[C@H](C)CC)c2)ccc1[O-] ZINC000436597975 501166998 /nfs/dbraw/zinc/16/69/98/501166998.db2.gz XUGKQZVBNZHIKN-CQSZACIVSA-N -1 3 354.450 3.413 20 0 FGADHM CCOC(=O)[C@@H](NC(=O)c1ccc(C(C)C)cc1[O-])c1cccc(O)c1 ZINC000436606407 501168464 /nfs/dbraw/zinc/16/84/64/501168464.db2.gz QXZVQYWANSJCEM-SFHVURJKSA-N -1 3 357.406 3.255 20 0 FGADHM Cc1ccc(C(=O)NC[C@@H](CO)Cc2ccccc2C(F)(F)F)c([O-])c1 ZINC000436609402 501169466 /nfs/dbraw/zinc/16/94/66/501169466.db2.gz WLWBNOUPAKZZKI-ZDUSSCGKSA-N -1 3 367.367 3.300 20 0 FGADHM Cc1ccc(C(=O)Nc2ccccc2CN2CCC(O)CC2)c([O-])c1C ZINC000436617749 501171246 /nfs/dbraw/zinc/17/12/46/501171246.db2.gz LRBAUDRSBJBCJC-UHFFFAOYSA-N -1 3 354.450 3.218 20 0 FGADHM CCOc1cc2c(cc1CNC(=O)c1ccc(C(C)=O)c([O-])c1)O[C@H](C)C2 ZINC000436624167 501172163 /nfs/dbraw/zinc/17/21/63/501172163.db2.gz AMYVTOSZLQRJDC-GFCCVEGCSA-N -1 3 369.417 3.247 20 0 FGADHM CC(C)N(CC(=O)OC(C)(C)C)C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436621283 501172180 /nfs/dbraw/zinc/17/21/80/501172180.db2.gz XRPXTUYQTYWBNM-UHFFFAOYSA-N -1 3 363.454 3.298 20 0 FGADHM CN(Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)CC1(O)CCCC1 ZINC000446843356 501172717 /nfs/dbraw/zinc/17/27/17/501172717.db2.gz MTUYFVLAAJKBGF-UHFFFAOYSA-N -1 3 374.506 3.224 20 0 FGADHM COc1ccc(C(=O)NCCc2coc(-c3ccc(F)cc3)n2)c([O-])c1 ZINC000436631968 501174050 /nfs/dbraw/zinc/17/40/50/501174050.db2.gz VFTDSWKPUOHFCM-UHFFFAOYSA-N -1 3 356.353 3.167 20 0 FGADHM C[C@H](Cc1ccc(Br)cc1)NC(=O)c1c([O-])cccc1O ZINC000436645364 501177422 /nfs/dbraw/zinc/17/74/22/501177422.db2.gz CDHHVKIHBOBAMG-SNVBAGLBSA-N -1 3 350.212 3.221 20 0 FGADHM O=C(Nc1cccc(CN2CC[C@H](O)C2)c1)c1cc2c(cc1[O-])CCCC2 ZINC000436648198 501178153 /nfs/dbraw/zinc/17/81/53/501178153.db2.gz MRSCIBBUWVIHBS-IBGZPJMESA-N -1 3 366.461 3.090 20 0 FGADHM O=C(NC1CCN(c2nc3ccccc3s2)CC1)c1c([O-])cccc1O ZINC000436650107 501179010 /nfs/dbraw/zinc/17/90/10/501179010.db2.gz YNRSCLZTBLEAGN-UHFFFAOYSA-N -1 3 369.446 3.106 20 0 FGADHM CCCCc1ccc(C(=O)NCCCNC(=O)c2cccc([O-])c2)cc1 ZINC000588218963 506238949 /nfs/dbraw/zinc/23/89/49/506238949.db2.gz YQIFVJDVJGNHFT-UHFFFAOYSA-N -1 3 354.450 3.285 20 0 FGADHM CC(=O)c1ccc(C(=O)N[C@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)cc1[O-] ZINC000436667478 501183231 /nfs/dbraw/zinc/18/32/31/501183231.db2.gz YNAQEQNODFRYGD-PKOBYXMFSA-N -1 3 374.387 3.048 20 0 FGADHM COCCn1ccc2ccc(NC(=O)c3ccc(C(C)=O)c([O-])c3)cc21 ZINC000436668764 501183283 /nfs/dbraw/zinc/18/32/83/501183283.db2.gz XNNGFCXSTJFMRZ-UHFFFAOYSA-N -1 3 352.390 3.448 20 0 FGADHM Cc1ccccc1C[C@@H](C)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436669476 501183890 /nfs/dbraw/zinc/18/38/90/501183890.db2.gz LYJBBUJDTMLCOX-APWZRJJASA-N -1 3 366.461 3.053 20 0 FGADHM Cc1ccc(C(=O)N[C@H]2CC(=O)N(c3ccccc3Cl)C2)c([O-])c1C ZINC000436676408 501186054 /nfs/dbraw/zinc/18/60/54/501186054.db2.gz ZXQBWAPZDXUETO-ZDUSSCGKSA-N -1 3 358.825 3.198 20 0 FGADHM C[C@H](NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2)c1ccc([S@@](C)=O)cc1 ZINC000436687985 501188706 /nfs/dbraw/zinc/18/87/06/501188706.db2.gz SGNRPJOFTGBHMH-GWQKEKGPSA-N -1 3 373.474 3.334 20 0 FGADHM Cc1ccc(Cl)c([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)c1C ZINC000446971390 501188794 /nfs/dbraw/zinc/18/87/94/501188794.db2.gz LUSKOYNAIPYZEB-UHFFFAOYSA-N -1 3 364.854 3.044 20 0 FGADHM C[C@@H](NC(=O)c1cc2c(cc1[O-])CCCC2)c1ccc([S@](C)=O)cc1 ZINC000436689203 501188907 /nfs/dbraw/zinc/18/89/07/501188907.db2.gz WCZMBHGGGMHAOA-SHZVTRLKSA-N -1 3 357.475 3.499 20 0 FGADHM COc1cc(-c2nc(-c3ccc(F)c(CN(C)C)c3)no2)cc(OC)c1[O-] ZINC000436689313 501188917 /nfs/dbraw/zinc/18/89/17/501188917.db2.gz NPWKWRBHGWASLL-UHFFFAOYSA-N -1 3 373.384 3.327 20 0 FGADHM COC(=O)[C@H]1CN(C(=O)c2cc(C(C)C)cc(C(C)C)c2[O-])C[C@@H](C)O1 ZINC000436688469 501188953 /nfs/dbraw/zinc/18/89/53/501188953.db2.gz OIYANYNGABCODP-CXAGYDPISA-N -1 3 363.454 3.042 20 0 FGADHM COc1ccc(-c2noc(CCNC(=O)c3ccc(C)cc3[O-])n2)cc1C ZINC000436688721 501189050 /nfs/dbraw/zinc/18/90/50/501189050.db2.gz LFKCKQVRPYTDBV-UHFFFAOYSA-N -1 3 367.405 3.040 20 0 FGADHM COc1cc(Cc2noc(-c3cc(OC)c([O-])c(OC)c3)n2)ccc1C ZINC000436692018 501189764 /nfs/dbraw/zinc/18/97/64/501189764.db2.gz VSHOUCSERHTKKX-UHFFFAOYSA-N -1 3 356.378 3.367 20 0 FGADHM COc1cc(-c2nc(-c3ccc(OCC4CC4)nc3)no2)cc(OC)c1[O-] ZINC000436692697 501190133 /nfs/dbraw/zinc/19/01/33/501190133.db2.gz ZLSUWLUPBJVVGA-UHFFFAOYSA-N -1 3 369.377 3.310 20 0 FGADHM COc1cc(SC)ccc1NC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000446989372 501191909 /nfs/dbraw/zinc/19/19/09/501191909.db2.gz MAEQKWHZNLOYHB-UHFFFAOYSA-N -1 3 366.464 3.041 20 0 FGADHM COCCCn1c(=O)[n-]nc1SCc1cc(Br)ccc1C ZINC000450714927 501191971 /nfs/dbraw/zinc/19/19/71/501191971.db2.gz YOJUIDIAAIOUSL-UHFFFAOYSA-N -1 3 372.288 3.383 20 0 FGADHM CCSc1cccc(CNC(=O)CCNC(=O)c2ccc(C)cc2[O-])c1 ZINC000436708829 501193308 /nfs/dbraw/zinc/19/33/08/501193308.db2.gz YPYAMXMXQRQURL-UHFFFAOYSA-N -1 3 372.490 3.249 20 0 FGADHM O=C(Cc1ccc([O-])c(F)c1)N1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000450723524 501194137 /nfs/dbraw/zinc/19/41/37/501194137.db2.gz DDUSOFVXYQNYIE-KRWDZBQOSA-N -1 3 367.779 3.466 20 0 FGADHM Cc1noc(C(C)(C)NC(=O)c2cc(OCc3ccccc3)ccc2[O-])n1 ZINC000436725032 501197750 /nfs/dbraw/zinc/19/77/50/501197750.db2.gz UIMFQIIJHNVSMH-UHFFFAOYSA-N -1 3 367.405 3.328 20 0 FGADHM COc1c(NC(=O)c2ccc3c(c2[O-])CCCC3)cc(Cl)cc1C(N)=O ZINC000436728545 501199131 /nfs/dbraw/zinc/19/91/31/501199131.db2.gz AWNKSANTMARGNU-UHFFFAOYSA-N -1 3 374.824 3.284 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N2Cc3cccc(Cl)c3C2)c([O-])c1 ZINC000436743343 501202425 /nfs/dbraw/zinc/20/24/25/501202425.db2.gz GOPQQJHNWSVMFT-UHFFFAOYSA-N -1 3 358.825 3.016 20 0 FGADHM CC(C)c1nnc(CCNC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)s1 ZINC000436765456 501207807 /nfs/dbraw/zinc/20/78/07/501207807.db2.gz BIOLLYLMLRKNMS-UHFFFAOYSA-N -1 3 361.467 3.053 20 0 FGADHM CCCn1c2ccccc2n(CCc2nc(-c3ccc([O-])cc3)no2)c1=O ZINC000436769089 501208846 /nfs/dbraw/zinc/20/88/46/501208846.db2.gz MUFRTCIPKVJPIA-UHFFFAOYSA-N -1 3 364.405 3.211 20 0 FGADHM COc1cccc(CNC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)c1OC ZINC000436771713 501208868 /nfs/dbraw/zinc/20/88/68/501208868.db2.gz AVKZHBXFPHELBM-UHFFFAOYSA-N -1 3 357.406 3.053 20 0 FGADHM COc1ccc([C@H]2CCCN2C(=O)c2cccc(OC)c2[O-])c(OC)c1 ZINC000436775221 501209473 /nfs/dbraw/zinc/20/94/73/501209473.db2.gz DQLRWYUXIRIZEG-MRXNPFEDSA-N -1 3 357.406 3.395 20 0 FGADHM COc1cc(-c2noc(-c3cc(S(C)(=O)=O)cc(C)c3C)n2)ccc1[O-] ZINC000436777797 501210054 /nfs/dbraw/zinc/21/00/54/501210054.db2.gz ZVOGFCVPYHBWOZ-UHFFFAOYSA-N -1 3 374.418 3.138 20 0 FGADHM Cc1ccc(NC(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000436778309 501210327 /nfs/dbraw/zinc/21/03/27/501210327.db2.gz QNPIRBHSERHLHM-UHFFFAOYSA-N -1 3 353.422 3.127 20 0 FGADHM Cc1cccc(NC(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)c1 ZINC000436779006 501210447 /nfs/dbraw/zinc/21/04/47/501210447.db2.gz UGTKTQACFGYNTL-UHFFFAOYSA-N -1 3 353.422 3.127 20 0 FGADHM C[C@H](CCc1cccc(F)c1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436787688 501211444 /nfs/dbraw/zinc/21/14/44/501211444.db2.gz PYABKMXBHLXWHC-MRXNPFEDSA-N -1 3 356.441 3.310 20 0 FGADHM COC(=O)c1cc(C(=O)Nc2cc(Cc3ccccc3)ccc2[O-])ccn1 ZINC000436802956 501213959 /nfs/dbraw/zinc/21/39/59/501213959.db2.gz HINSCRDKOHORJW-UHFFFAOYSA-N -1 3 362.385 3.417 20 0 FGADHM COCCN(C(=O)c1ccc2c(c1[O-])OC(C)(C)C2)[C@H]1CCCSC1 ZINC000436812463 501215194 /nfs/dbraw/zinc/21/51/94/501215194.db2.gz XOBQKIRCTJKWLN-AWEZNQCLSA-N -1 3 365.495 3.090 20 0 FGADHM O=C(Nc1cccc(F)c1-c1nc[nH]n1)c1ccc2c(c1[O-])CCCC2 ZINC000436817197 501216120 /nfs/dbraw/zinc/21/61/20/501216120.db2.gz WLXMLWCFIKOAGV-UHFFFAOYSA-N -1 3 352.369 3.448 20 0 FGADHM O=C(NCCc1cnn(-c2ccccc2)c1)c1cc2c(cc1[O-])CCCC2 ZINC000436824841 501216839 /nfs/dbraw/zinc/21/68/39/501216839.db2.gz DOFAGNRVWOCQHL-UHFFFAOYSA-N -1 3 361.445 3.429 20 0 FGADHM CCOC(=O)[C@@H]1CN(C(=O)c2ccc(CC)cc2[O-])Cc2ccccc21 ZINC000436834009 501218649 /nfs/dbraw/zinc/21/86/49/501218649.db2.gz LEMDKTHOQLGMAK-GOSISDBHSA-N -1 3 353.418 3.257 20 0 FGADHM CC[C@@H]1CN(C(=O)c2cc3c(cc2[O-])CCCC3)CCN1CC(F)F ZINC000436834979 501218862 /nfs/dbraw/zinc/21/88/62/501218862.db2.gz BPIWUQKWTAWTBV-OAHLLOKOSA-N -1 3 352.425 3.073 20 0 FGADHM CCc1c(NC(=O)c2cc(OC)c([O-])c(OC)c2)cnn1-c1ccccc1 ZINC000436838980 501219423 /nfs/dbraw/zinc/21/94/23/501219423.db2.gz KPQGOGXXAKNVGO-UHFFFAOYSA-N -1 3 367.405 3.410 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@@H](C)c2ccccc2)c1-c1ccc2c(c1)OCCO2 ZINC000436845437 501220084 /nfs/dbraw/zinc/22/00/84/501220084.db2.gz SGRCWWBFOPOCAV-ZDUSSCGKSA-N -1 3 363.417 3.320 20 0 FGADHM CC(C)[C@H](NC(=O)c1cc(Oc2ccccc2)ccc1[O-])c1nncn1C ZINC000436844744 501220201 /nfs/dbraw/zinc/22/02/01/501220201.db2.gz AIXIZORFOZCCEW-SFHVURJKSA-N -1 3 366.421 3.440 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N2CCC[C@@H](c3ccccc3)C2)c([O-])c1 ZINC000436852104 501221067 /nfs/dbraw/zinc/22/10/67/501221067.db2.gz NNIORJDHXBUKIG-GOSISDBHSA-N -1 3 366.461 3.227 20 0 FGADHM CC(=O)c1ccc(C(=O)NCc2c(C)nn(-c3ccccc3)c2C)cc1[O-] ZINC000436853776 501221783 /nfs/dbraw/zinc/22/17/83/501221783.db2.gz DLCRQALJQMWCAC-UHFFFAOYSA-N -1 3 363.417 3.327 20 0 FGADHM CC(=O)c1ccc(C(=O)NCc2ccc(OC(F)(F)F)cc2)cc1[O-] ZINC000436857642 501222440 /nfs/dbraw/zinc/22/24/40/501222440.db2.gz BICBMRPPSGKBJY-UHFFFAOYSA-N -1 3 353.296 3.423 20 0 FGADHM CC(=O)c1ccc(C(=O)N2CCCN(Cc3ccc(F)cc3)CC2)cc1[O-] ZINC000436859748 501222769 /nfs/dbraw/zinc/22/27/69/501222769.db2.gz LKWXOKDWGTVMOC-UHFFFAOYSA-N -1 3 370.424 3.082 20 0 FGADHM COc1cc(-c2noc(-c3c(C)onc3-c3ccncc3)n2)ccc1[O-] ZINC000436875363 501225501 /nfs/dbraw/zinc/22/55/01/501225501.db2.gz CUYDYZYOBZMPMJ-UHFFFAOYSA-N -1 3 350.334 3.476 20 0 FGADHM COc1ccc(C(=O)NC[C@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)c([O-])c1 ZINC000436876193 501225684 /nfs/dbraw/zinc/22/56/84/501225684.db2.gz GXELHLXROIJWFP-PZJWPPBQSA-N -1 3 373.424 3.044 20 0 FGADHM O=C(Nc1cccc(-c2cn[nH]n2)c1)c1ccc(Br)cc1[O-] ZINC000436882823 501226520 /nfs/dbraw/zinc/22/65/20/501226520.db2.gz WPJINSWHMGNUBK-UHFFFAOYSA-N -1 3 359.183 3.192 20 0 FGADHM O=C(NCc1ccnc2ccnn21)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436891629 501228689 /nfs/dbraw/zinc/22/86/89/501228689.db2.gz GGSQJUJSDIOLKS-UHFFFAOYSA-N -1 3 360.373 3.157 20 0 FGADHM CC(C)c1ccc(C(=O)N[C@H](C)C(=O)N2Cc3ccccc3C2)c([O-])c1 ZINC000436899903 501229679 /nfs/dbraw/zinc/22/96/79/501229679.db2.gz LKCLPKVCYBHTFS-CQSZACIVSA-N -1 3 352.434 3.176 20 0 FGADHM CC1(C)C[C@H]1NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436901623 501229774 /nfs/dbraw/zinc/22/97/74/501229774.db2.gz CFMRFCAVPYXNFT-ZWKOTPCHSA-N -1 3 352.434 3.168 20 0 FGADHM O=C(N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)c1c([O-])cccc1O ZINC000436897890 501229776 /nfs/dbraw/zinc/22/97/76/501229776.db2.gz DADMZEXPJLQLJB-SNVBAGLBSA-N -1 3 367.232 3.413 20 0 FGADHM Cc1cc2nc(N3CCN(C(=O)c4cccc([O-])c4)CC3)oc2c(C)c1 ZINC000450304241 501229794 /nfs/dbraw/zinc/22/97/94/501229794.db2.gz PTXKVXDBHAPHCZ-UHFFFAOYSA-N -1 3 351.406 3.113 20 0 FGADHM O=C(NC[C@H]1CCCCN1C1CC1)c1cc(F)cc(Br)c1[O-] ZINC000436908631 501230729 /nfs/dbraw/zinc/23/07/29/501230729.db2.gz WDVZUVVNDKJKGF-GFCCVEGCSA-N -1 3 371.250 3.041 20 0 FGADHM O=C(NCCNC(=O)c1ccc([O-])cc1)c1cscc1-c1ccccc1 ZINC000436911964 501231381 /nfs/dbraw/zinc/23/13/81/501231381.db2.gz VCZXYRMAMNJLNG-UHFFFAOYSA-N -1 3 366.442 3.281 20 0 FGADHM CC[C@@H](NC(=O)c1ccc([O-])c(C)c1)c1ccccc1OCC(=O)N(C)C ZINC000436923617 501233620 /nfs/dbraw/zinc/23/36/20/501233620.db2.gz CXDBMHIXUXANOW-QGZVFWFLSA-N -1 3 370.449 3.049 20 0 FGADHM CCOc1ccc([N-]S(=O)(=O)C[C@@H](OC)c2ccccc2)cc1F ZINC000450985580 501236974 /nfs/dbraw/zinc/23/69/74/501236974.db2.gz KFFODKZMRCCUIA-QGZVFWFLSA-N -1 3 353.415 3.354 20 0 FGADHM COC(=O)[C@@H]1C[C@@H](C)CCN1C(=O)CCc1ccc2ccccc2c1[O-] ZINC000451005478 501238477 /nfs/dbraw/zinc/23/84/77/501238477.db2.gz XLIBOVVXXQDWMI-KSSFIOAISA-N -1 3 355.434 3.278 20 0 FGADHM Cc1sc(C[N-]S(=O)(=O)C[C@@H]2CCCC2(F)F)nc1C(C)C ZINC000451189827 501250956 /nfs/dbraw/zinc/25/09/56/501250956.db2.gz PWGMQPZPSUBBJK-NSHDSACASA-N -1 3 352.472 3.430 20 0 FGADHM Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)Cc1ccc([O-])c(F)c1 ZINC000451240369 501254272 /nfs/dbraw/zinc/25/42/72/501254272.db2.gz IDHVOHNFJODQSA-UHFFFAOYSA-N -1 3 356.397 3.161 20 0 FGADHM Cc1csc(S(=O)(=O)[N-]C2(c3noc(C(C)C)n3)CCCC2)c1 ZINC000451269797 501256654 /nfs/dbraw/zinc/25/66/54/501256654.db2.gz ANKHZAVUEREXNX-UHFFFAOYSA-N -1 3 355.485 3.311 20 0 FGADHM CCC(CC)(CCO)C[N-]S(=O)(=O)c1ccc2ccccc2c1F ZINC000451274652 501256815 /nfs/dbraw/zinc/25/68/15/501256815.db2.gz POVNGDDIURLQPC-UHFFFAOYSA-N -1 3 353.459 3.446 20 0 FGADHM O=S(=O)(Cc1c(F)cccc1Cl)[N-][C@H]1CCCC[C@H]1n1cccn1 ZINC000451273936 501256902 /nfs/dbraw/zinc/25/69/02/501256902.db2.gz OJSNWHNDCYHJEC-JKSUJKDBSA-N -1 3 371.865 3.279 20 0 FGADHM CCc1noc(CC)c1C[N-]S(=O)(=O)C[C@H]1CCCCC1(F)F ZINC000451296688 501259551 /nfs/dbraw/zinc/25/95/51/501259551.db2.gz MSNKOUAGYKTMFA-LLVKDONJSA-N -1 3 350.431 3.044 20 0 FGADHM O=S(=O)([N-][C@@H]1CCC[C@H]1OC(F)F)c1ccc2ccccc2c1F ZINC000451503119 501308108 /nfs/dbraw/zinc/30/81/08/501308108.db2.gz DAHGFTYUKREFNC-CHWSQXEVSA-N -1 3 359.369 3.418 20 0 FGADHM O=S(=O)(Cc1c(F)cccc1Cl)[N-][C@@H]1CCCC[C@H]1OC(F)F ZINC000451506387 501308637 /nfs/dbraw/zinc/30/86/37/501308637.db2.gz VPTIYLBQSYTLPG-CHWSQXEVSA-N -1 3 371.808 3.449 20 0 FGADHM CN(C)C[C@@H](NC(=O)Cc1ccc([O-])c(F)c1)c1ccc(Cl)cc1 ZINC000451525644 501313181 /nfs/dbraw/zinc/31/31/81/501313181.db2.gz ATSYXDYEOQCXSK-MRXNPFEDSA-N -1 3 350.821 3.146 20 0 FGADHM Cc1ccc(-c2noc(CS(=O)(=O)[N-]C3CCC(C)CC3)n2)s1 ZINC000453322321 501314742 /nfs/dbraw/zinc/31/47/42/501314742.db2.gz INSSFURNQWOMNV-UHFFFAOYSA-N -1 3 355.485 3.105 20 0 FGADHM O=S(=O)([N-]CCCC1CCOCC1)c1csc(-c2ccccc2)n1 ZINC000451606300 501335137 /nfs/dbraw/zinc/33/51/37/501335137.db2.gz HNBMWOALWRKJQS-UHFFFAOYSA-N -1 3 366.508 3.295 20 0 FGADHM O=S(=O)([N-]C[C@@H]1CSc2ccccc21)c1cnccc1C(F)(F)F ZINC000451613110 501337124 /nfs/dbraw/zinc/33/71/24/501337124.db2.gz MLKRWCSBZCTCJY-SNVBAGLBSA-N -1 3 374.409 3.268 20 0 FGADHM O=C(Cc1ccc([O-])c(F)c1)N[C@@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000451686073 501350591 /nfs/dbraw/zinc/35/05/91/501350591.db2.gz NIZBBSHYZLNFDQ-LJQANCHMSA-N -1 3 363.816 3.245 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2CCO[C@@H](C(C)C)C2)sc1Cl ZINC000451819519 501379266 /nfs/dbraw/zinc/37/92/66/501379266.db2.gz VTHPSYSKNCQPOD-VXGBXAGGSA-N -1 3 351.921 3.439 20 0 FGADHM CSc1ccc([C@@H](CNC(=O)Cc2ccc([O-])c(F)c2)N(C)C)cc1 ZINC000452163981 501449225 /nfs/dbraw/zinc/44/92/25/501449225.db2.gz CUCXKWPTWMLIEH-QGZVFWFLSA-N -1 3 362.470 3.215 20 0 FGADHM COc1cc(C(=O)N[C@@H]2CCCc3c(F)cc(F)cc32)cc(OC)c1[O-] ZINC000452187319 501456498 /nfs/dbraw/zinc/45/64/98/501456498.db2.gz DGPQOEWQPVKAGH-OAHLLOKOSA-N -1 3 363.360 3.495 20 0 FGADHM CC[C@@H]1CCCC[C@@H]1CNC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000452424868 501497676 /nfs/dbraw/zinc/49/76/76/501497676.db2.gz RDLXORXLIYSDKP-TZMCWYRMSA-N -1 3 356.463 3.143 20 0 FGADHM Cc1nc(-c2ccc(NC(=O)N[C@@H](C3CC3)C(C)(C)CO)cc2)cc(=O)[n-]1 ZINC000459353055 501637869 /nfs/dbraw/zinc/63/78/69/501637869.db2.gz HZEQOICGIDOAPE-SFHVURJKSA-N -1 3 370.453 3.076 20 0 FGADHM O=c1cc(CN2CCO[C@@H](c3ccsc3)C2)nc(-c2ccccc2)[n-]1 ZINC000459362427 501639061 /nfs/dbraw/zinc/63/90/61/501639061.db2.gz JOSXMSRGPGTNSE-QGZVFWFLSA-N -1 3 353.447 3.484 20 0 FGADHM Cc1cccc([C@H](C)NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])c1 ZINC000457041629 501639375 /nfs/dbraw/zinc/63/93/75/501639375.db2.gz FRHFXNJBRFPNIM-MAUKXSAKSA-N -1 3 352.434 3.183 20 0 FGADHM CCc1cc(C(=O)N(C)C2CCN(CCC(F)(F)F)CC2)ccc1[O-] ZINC000457063250 501643575 /nfs/dbraw/zinc/64/35/75/501643575.db2.gz FEASVHFTZIWHIL-UHFFFAOYSA-N -1 3 358.404 3.443 20 0 FGADHM CC[C@H](NCc1cc(=O)[n-]c(-c2ccccc2)n1)c1c(C)nn(C)c1C ZINC000459403159 501647288 /nfs/dbraw/zinc/64/72/88/501647288.db2.gz KXPPQPHSEJMPKI-KRWDZBQOSA-N -1 3 351.454 3.440 20 0 FGADHM C[C@@H](NCc1cc(=O)[n-]c(C2CC2)n1)c1nc(-c2cccc(F)c2)no1 ZINC000459412905 501649475 /nfs/dbraw/zinc/64/94/75/501649475.db2.gz WKONJRVWFWRLAK-SNVBAGLBSA-N -1 3 355.373 3.100 20 0 FGADHM Cc1ccn(C)c(=O)c1NC(=O)N=c1cc(-c2cc(C)c(C)cc2C)[n-][nH]1 ZINC000459436427 501653405 /nfs/dbraw/zinc/65/34/05/501653405.db2.gz PYQCQHIQFWGPEF-UHFFFAOYSA-N -1 3 365.437 3.075 20 0 FGADHM CCOc1cc(CN2CCO[C@H](C(C)C)C2)cc(Br)c1[O-] ZINC000459473839 501660028 /nfs/dbraw/zinc/66/00/28/501660028.db2.gz YRKPEOSZXUVWAH-HNNXBMFYSA-N -1 3 358.276 3.410 20 0 FGADHM CCOC(=O)[C@H](NCc1cc(=O)[n-]c(C2CC2)n1)c1cccc(C)c1C ZINC000459630716 501689997 /nfs/dbraw/zinc/68/99/97/501689997.db2.gz PZANOHZUBBKVDJ-GOSISDBHSA-N -1 3 355.438 3.070 20 0 FGADHM CCOC(=O)c1c(C)c(C(=O)NC)sc1[N-]C(=O)c1sccc1F ZINC000459893048 501721383 /nfs/dbraw/zinc/72/13/83/501721383.db2.gz BDLHDZYXLIJQHL-UHFFFAOYSA-N -1 3 370.427 3.046 20 0 FGADHM COC(=O)c1sc2[n-]c(-c3ccc(OC(F)F)cn3)nc(=O)c2c1C ZINC000467169790 501727800 /nfs/dbraw/zinc/72/78/00/501727800.db2.gz NPMPDAVQFJWOFL-UHFFFAOYSA-N -1 3 367.333 3.155 20 0 FGADHM Cc1sc(NC(=O)c2cc(=O)[n-]c(N(C)C)n2)nc1-c1ccc(F)cc1 ZINC000463459265 501730256 /nfs/dbraw/zinc/73/02/56/501730256.db2.gz VIHQBYYKHFAPBX-UHFFFAOYSA-N -1 3 373.413 3.072 20 0 FGADHM C[C@H](CCC1CC1)NC(=O)Cc1csc(NC(=O)c2cccc([O-])c2)n1 ZINC000470585361 501736080 /nfs/dbraw/zinc/73/60/80/501736080.db2.gz XTPHZDQZQIYDQA-GFCCVEGCSA-N -1 3 373.478 3.338 20 0 FGADHM O=C(Cc1ccc(Br)cc1[O-])NCCCOC1CCCC1 ZINC000477620156 501740626 /nfs/dbraw/zinc/74/06/26/501740626.db2.gz UGUJMXRFJGTBQK-UHFFFAOYSA-N -1 3 356.260 3.163 20 0 FGADHM COC(=O)c1c(F)ccc([N-]C(=O)c2cc3c(C)nn(C)c3s2)c1F ZINC000485169450 501745764 /nfs/dbraw/zinc/74/57/64/501745764.db2.gz OLSWKGCYVHQFFN-UHFFFAOYSA-N -1 3 365.361 3.260 20 0 FGADHM NC(=O)c1ccc(F)c([N-]C(=O)c2c(F)cc(C(F)(F)F)cc2F)c1 ZINC000463587821 501769360 /nfs/dbraw/zinc/76/93/60/501769360.db2.gz GUJQYEMGNGYGMI-UHFFFAOYSA-N -1 3 362.229 3.474 20 0 FGADHM O=C(c1c[n-]nc1-c1ccncc1)N1CC2(CCOCC2)c2ccccc21 ZINC000481429241 501773494 /nfs/dbraw/zinc/77/34/94/501773494.db2.gz XPOIQNWDTHTJGD-UHFFFAOYSA-N -1 3 360.417 3.180 20 0 FGADHM O=C(c1cn[n-]c1-c1ccncc1)N1CC2(CCOCC2)c2ccccc21 ZINC000481429241 501773500 /nfs/dbraw/zinc/77/35/00/501773500.db2.gz XPOIQNWDTHTJGD-UHFFFAOYSA-N -1 3 360.417 3.180 20 0 FGADHM COc1ccc(NC(=O)c2c(C)[n-]c(=O)nc2SC)c2cccnc12 ZINC000474301014 501782460 /nfs/dbraw/zinc/78/24/60/501782460.db2.gz BKWHXFKEUJWJJI-UHFFFAOYSA-N -1 3 356.407 3.022 20 0 FGADHM CCOC(=O)c1c(C(C)C)csc1[N-]C(=O)C(=O)N1CCC[C@@H](C)C1 ZINC000467391611 501784147 /nfs/dbraw/zinc/78/41/47/501784147.db2.gz DDJTUSDWNWGAPA-GFCCVEGCSA-N -1 3 366.483 3.245 20 0 FGADHM Cc1nn(C)c(C)c1CN[C@@H](CC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000485390555 501805679 /nfs/dbraw/zinc/80/56/79/501805679.db2.gz RATIRBLBRCTFFC-HNNXBMFYSA-N -1 3 355.360 3.361 20 0 FGADHM COc1cc(NC(=O)Cc2ccc([O-])cc2Cl)ncc1Br ZINC000477842378 501805725 /nfs/dbraw/zinc/80/57/25/501805725.db2.gz IWGFODGTFAKARW-UHFFFAOYSA-N -1 3 371.618 3.393 20 0 FGADHM CCOC[C@@H]([N-]S(=O)(=O)c1sc(C)cc1Br)C(C)C ZINC000474370214 501808921 /nfs/dbraw/zinc/80/89/21/501808921.db2.gz CLBFBIOZECGXEN-LLVKDONJSA-N -1 3 370.334 3.158 20 0 FGADHM O=C(Cc1ccc(Br)cc1[O-])N[C@@H]1[C@H]2Cc3ccccc3[C@@H]12 ZINC000477986464 501846971 /nfs/dbraw/zinc/84/69/71/501846971.db2.gz PKMLCLNDHIRVRA-BMGDILEWSA-N -1 3 358.235 3.152 20 0 FGADHM Cc1ccc([C@@H]2C[C@H](C)N(C(=O)Nc3ccc4c(c3)C(=O)[N-]C4=O)C2)cc1 ZINC000485525120 501847174 /nfs/dbraw/zinc/84/71/74/501847174.db2.gz UEMSVNBCEZYLLV-DZGCQCFKSA-N -1 3 363.417 3.289 20 0 FGADHM O=C(N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1)c1cc(=O)[nH]c2ccccc21 ZINC000467709472 501849708 /nfs/dbraw/zinc/84/97/08/501849708.db2.gz WBGDDORUWKQZOY-UHFFFAOYSA-N -1 3 366.327 3.283 20 0 FGADHM CCOc1nc2ccc(C(=O)Nc3cccc(C(=O)NC4CC4)c3)cc2[n-]1 ZINC000485552528 501857599 /nfs/dbraw/zinc/85/75/99/501857599.db2.gz YYESLLVTDVEJET-UHFFFAOYSA-N -1 3 364.405 3.106 20 0 FGADHM CCOc1nc2cc(C(=O)Nc3cccc(C(=O)NC4CC4)c3)ccc2[n-]1 ZINC000485552528 501857604 /nfs/dbraw/zinc/85/76/04/501857604.db2.gz YYESLLVTDVEJET-UHFFFAOYSA-N -1 3 364.405 3.106 20 0 FGADHM Cc1nc(C)c(CC(=O)N2CCC(c3c(F)cccc3F)CC2)c(=O)[n-]1 ZINC000485581541 501867321 /nfs/dbraw/zinc/86/73/21/501867321.db2.gz JRLXPGZIRYMMML-UHFFFAOYSA-N -1 3 361.392 3.026 20 0 FGADHM Cc1nc(-c2ccc(NC(=O)NC[C@]3(C)CCCC[C@@H]3O)cc2)cc(=O)[n-]1 ZINC000481735641 501867764 /nfs/dbraw/zinc/86/77/64/501867764.db2.gz MREMWUFCMMUYQQ-PXNSSMCTSA-N -1 3 370.453 3.220 20 0 FGADHM Cc1nc(-c2ccc(NC(=O)NC[C@@]3(C)CCCC[C@H]3O)cc2)cc(=O)[n-]1 ZINC000481735645 501868298 /nfs/dbraw/zinc/86/82/98/501868298.db2.gz MREMWUFCMMUYQQ-YLJYHZDGSA-N -1 3 370.453 3.220 20 0 FGADHM CC(=O)c1ccc(C(=O)N2CCN(CC3CC3)c3ccccc32)cc1[O-] ZINC000611738782 506278680 /nfs/dbraw/zinc/27/86/80/506278680.db2.gz BOOXKTAMISIGKZ-UHFFFAOYSA-N -1 3 350.418 3.472 20 0 FGADHM Cc1noc(-c2ccccc2)c1NC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000478084660 501875735 /nfs/dbraw/zinc/87/57/35/501875735.db2.gz LBQJDWPXNAEJIW-UHFFFAOYSA-N -1 3 371.418 3.274 20 0 FGADHM CCc1cc(C(=O)N2CSC[C@H]2C(=O)Nc2ccccc2)ccc1[O-] ZINC000485624932 501880222 /nfs/dbraw/zinc/88/02/22/501880222.db2.gz IVBYVQGLSCLZGU-INIZCTEOSA-N -1 3 356.447 3.108 20 0 FGADHM COC(=O)c1cc(F)cc([N-]C(=O)c2ccc(C(C)=O)cc2F)c1F ZINC000478099888 501880310 /nfs/dbraw/zinc/88/03/10/501880310.db2.gz GUOOZXYKOHEFQK-UHFFFAOYSA-N -1 3 351.280 3.345 20 0 FGADHM CS(=O)(=O)[N-]c1cc(C(=O)Nc2ccc(F)c(C3CC3)c2)ccc1F ZINC000467809906 501880889 /nfs/dbraw/zinc/88/08/89/501880889.db2.gz AOIOQSVNXKOEHB-UHFFFAOYSA-N -1 3 366.389 3.466 20 0 FGADHM Cc1cc(F)c(S(=O)(=O)[N-][C@@H](C)[C@H](c2ccccc2)N(C)C)cc1F ZINC000474578711 501883225 /nfs/dbraw/zinc/88/32/25/501883225.db2.gz LZPQHBVVDCEEIY-SCLBCKFNSA-N -1 3 368.449 3.243 20 0 FGADHM CCCCc1nc(C(=O)OCC)c(NC(=O)c2ccn(C3CCCC3)n2)[n-]1 ZINC000485663216 501892805 /nfs/dbraw/zinc/89/28/05/501892805.db2.gz BAOAUVIKUMHFPB-UHFFFAOYSA-N -1 3 373.457 3.493 20 0 FGADHM CCCCc1nc(NC(=O)c2ccn(C3CCCC3)n2)c(C(=O)OCC)[n-]1 ZINC000485663216 501892811 /nfs/dbraw/zinc/89/28/11/501892811.db2.gz BAOAUVIKUMHFPB-UHFFFAOYSA-N -1 3 373.457 3.493 20 0 FGADHM CCc1cc(=O)[n-]c(CN2[C@H](C(=O)OC(C)(C)C)C[C@H]3CCCC[C@@H]32)n1 ZINC000481838194 501895643 /nfs/dbraw/zinc/89/56/43/501895643.db2.gz JWXMGXPQTACMBC-KBMXLJTQSA-N -1 3 361.486 3.219 20 0 FGADHM CC(C)c1ncc([N-]S(=O)(=O)Cc2ccc(Br)cc2)cn1 ZINC000481861675 501902283 /nfs/dbraw/zinc/90/22/83/501902283.db2.gz FNHWJUUBBHPTEZ-UHFFFAOYSA-N -1 3 370.272 3.304 20 0 FGADHM CCCCc1nc(C(=O)OCC)c(NC(=O)C[C@@H]2CCO[C@@H](CC)C2)[n-]1 ZINC000485709509 501910351 /nfs/dbraw/zinc/91/03/51/501910351.db2.gz KJZBMZXJYFYURV-KGLIPLIRSA-N -1 3 365.474 3.463 20 0 FGADHM CCCCc1nc(NC(=O)C[C@@H]2CCO[C@@H](CC)C2)c(C(=O)OCC)[n-]1 ZINC000485709509 501910353 /nfs/dbraw/zinc/91/03/53/501910353.db2.gz KJZBMZXJYFYURV-KGLIPLIRSA-N -1 3 365.474 3.463 20 0 FGADHM CC(C)CN1CCC[C@@H](C[N-]S(=O)(=O)c2c(F)cccc2Cl)C1 ZINC000464188764 501917370 /nfs/dbraw/zinc/91/73/70/501917370.db2.gz QDNADTILRAHELQ-ZDUSSCGKSA-N -1 3 362.898 3.125 20 0 FGADHM O=C(NCc1ncccc1[O-])N[C@H](c1c(F)cccc1F)C(F)(F)F ZINC000468004475 501927018 /nfs/dbraw/zinc/92/70/18/501927018.db2.gz LSUUVTUBYMFLMV-CYBMUJFWSA-N -1 3 361.270 3.168 20 0 FGADHM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)c1cc(Cl)cc(Cl)c1 ZINC000474778536 501949751 /nfs/dbraw/zinc/94/97/51/501949751.db2.gz AORWDUGRNUOYCM-UHFFFAOYSA-N -1 3 371.176 3.147 20 0 FGADHM CCc1ncc(S(=O)(=O)[N-]Cc2ccccc2N2CCCCC2)s1 ZINC000460898309 501954096 /nfs/dbraw/zinc/95/40/96/501954096.db2.gz KCSSIXLWAHCBFZ-UHFFFAOYSA-N -1 3 365.524 3.174 20 0 FGADHM Cc1occc1CNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000602753098 506285321 /nfs/dbraw/zinc/28/53/21/506285321.db2.gz PUJRTVSXFFVTBS-UHFFFAOYSA-N -1 3 361.195 3.122 20 0 FGADHM COc1ccccc1[C@H](CC(C)C)[N-]S(=O)(=O)Cc1cc(C)no1 ZINC000485884419 501974687 /nfs/dbraw/zinc/97/46/87/501974687.db2.gz SCWFTFUZHSNQGO-INIZCTEOSA-N -1 3 352.456 3.198 20 0 FGADHM COc1ccccc1[C@H]([N-]S(=O)(=O)Cc1cc(C)no1)c1ccccc1 ZINC000485890607 501978565 /nfs/dbraw/zinc/97/85/65/501978565.db2.gz CKTPTWFZMYQLGI-LJQANCHMSA-N -1 3 372.446 3.201 20 0 FGADHM CNC(=O)c1cccc(NC(=O)c2cc([O-])ccc2C(F)(F)F)c1C ZINC000474877237 501978981 /nfs/dbraw/zinc/97/89/81/501978981.db2.gz FPDVUPJTMQQNQN-UHFFFAOYSA-N -1 3 352.312 3.331 20 0 FGADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H]1COc2ccccc2C1 ZINC000471320507 501988694 /nfs/dbraw/zinc/98/86/94/501988694.db2.gz KNFMOYUWQJKKPZ-AWEZNQCLSA-N -1 3 361.394 3.162 20 0 FGADHM CC(C)(C)OC(=O)C1(C)CCN(C(=O)Cc2ccc([O-])c(F)c2)CC1 ZINC000592874800 506286598 /nfs/dbraw/zinc/28/65/98/506286598.db2.gz VBXZZQMQSPSGIT-UHFFFAOYSA-N -1 3 351.418 3.044 20 0 FGADHM CSCc1ccc(C(=O)Nc2cc(C)ccc2[N-]S(C)(=O)=O)cc1 ZINC000461022623 501991578 /nfs/dbraw/zinc/99/15/78/501991578.db2.gz ITKWZVXYGXPIMA-UHFFFAOYSA-N -1 3 364.492 3.482 20 0 FGADHM CCC1(CNC(=O)N=c2cc3ccc(Br)cn3[n-]2)CCC1 ZINC000482169933 501996909 /nfs/dbraw/zinc/99/69/09/501996909.db2.gz PAIWQEMOVQFFOI-UHFFFAOYSA-N -1 3 351.248 3.221 20 0 FGADHM Cc1nc(C)c(CCC(=O)NC[C@@H]2CCCC[C@@H]2C(F)(F)F)c(=O)[n-]1 ZINC000482197706 502005015 /nfs/dbraw/zinc/00/50/15/502005015.db2.gz HWFGMADCABXKTE-JSGCOSHPSA-N -1 3 359.392 3.217 20 0 FGADHM COc1cc(C(=O)Nc2ccc3nc(N(C)C)ccc3c2)cc(OC)c1[O-] ZINC000485967082 502005921 /nfs/dbraw/zinc/00/59/21/502005921.db2.gz NEAKFMSSGHXTGQ-UHFFFAOYSA-N -1 3 367.405 3.276 20 0 FGADHM CC1(C)CC[C@H](NC(=O)CNC(=O)c2cccc([O-])c2)c2ccccc21 ZINC000471392817 502009746 /nfs/dbraw/zinc/00/97/46/502009746.db2.gz XMYDWBYUYHROHJ-SFHVURJKSA-N -1 3 352.434 3.051 20 0 FGADHM O=C(CNC(=O)c1cccc([O-])c1)N[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000471398909 502012233 /nfs/dbraw/zinc/01/22/33/502012233.db2.gz RCNSUUONSYIXJG-GOSISDBHSA-N -1 3 358.825 3.043 20 0 FGADHM CCCN(CC1CC1)C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482234392 502015266 /nfs/dbraw/zinc/01/52/66/502015266.db2.gz XLFQYPJPMVFQRD-UHFFFAOYSA-N -1 3 351.248 3.173 20 0 FGADHM CC1(C)CC[C@@H](NC(=O)N=c2cc3ccc(Br)cn3[n-]2)C1 ZINC000482234241 502015302 /nfs/dbraw/zinc/01/53/02/502015302.db2.gz WLXWTNNAFOYPGE-LLVKDONJSA-N -1 3 351.248 3.219 20 0 FGADHM Cc1ccc(-c2nc(C(=O)NCc3nnc(C(F)(F)F)[n-]3)cs2)cc1 ZINC000482246931 502018724 /nfs/dbraw/zinc/01/87/24/502018724.db2.gz UYJPSQHVEUWLFG-UHFFFAOYSA-N -1 3 367.356 3.185 20 0 FGADHM Cc1ccc(-c2nc(C(=O)NCc3n[n-]c(C(F)(F)F)n3)cs2)cc1 ZINC000482246931 502018727 /nfs/dbraw/zinc/01/87/27/502018727.db2.gz UYJPSQHVEUWLFG-UHFFFAOYSA-N -1 3 367.356 3.185 20 0 FGADHM Cc1ccc(-c2nc(C(=O)NCc3nc(C(F)(F)F)n[n-]3)cs2)cc1 ZINC000482246931 502018729 /nfs/dbraw/zinc/01/87/29/502018729.db2.gz UYJPSQHVEUWLFG-UHFFFAOYSA-N -1 3 367.356 3.185 20 0 FGADHM O=C(c1cc(=O)c2cc(Br)ccc2[n-]1)N1CCC[C@H]1C1CC1 ZINC000602762010 506289119 /nfs/dbraw/zinc/28/91/19/506289119.db2.gz LAXIRBMQLICZMJ-HNNXBMFYSA-N -1 3 361.239 3.305 20 0 FGADHM CN(C)C(=O)c1cccc(-c2noc(Cc3ccc([O-])cc3Cl)n2)c1 ZINC000486063371 502035012 /nfs/dbraw/zinc/03/50/12/502035012.db2.gz UAOVGYQTQPKMDR-UHFFFAOYSA-N -1 3 357.797 3.388 20 0 FGADHM CCc1cc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccccc2F)ccc1[O-] ZINC000486091526 502043338 /nfs/dbraw/zinc/04/33/38/502043338.db2.gz GBOPSRFWZAUCAH-MRXNPFEDSA-N -1 3 374.437 3.248 20 0 FGADHM Cn1[n-]c(-c2ccccc2Cl)nc1=NC(=O)Cc1cccc(Cl)c1 ZINC000461233700 502047417 /nfs/dbraw/zinc/04/74/17/502047417.db2.gz AGQOJMSFNBGJQF-UHFFFAOYSA-N -1 3 361.232 3.392 20 0 FGADHM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(C[C@@H]1CCC(C)(C)O1)CC2 ZINC000582551186 506290424 /nfs/dbraw/zinc/29/04/24/506290424.db2.gz AZFOJTNOAKGIRD-GOEBONIOSA-N -1 3 363.454 3.035 20 0 FGADHM CCc1cc(C(=O)N(Cc2ccccc2)C[C@@H](C)C(=O)OC)ccc1[O-] ZINC000486125292 502055659 /nfs/dbraw/zinc/05/56/59/502055659.db2.gz HZYAUHRTMBEZBC-OAHLLOKOSA-N -1 3 355.434 3.406 20 0 FGADHM Cc1ccc2c(c1)[C@@H](NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])CC2 ZINC000592883458 506290730 /nfs/dbraw/zinc/29/07/30/506290730.db2.gz MBHZFKMGYFVLIR-RBUKOAKNSA-N -1 3 364.445 3.109 20 0 FGADHM COc1ccc(-c2noc(C(=O)[N-]c3cc(OC)ccc3OC)n2)cc1 ZINC000478727055 502069767 /nfs/dbraw/zinc/06/97/67/502069767.db2.gz ZHQHKANVWDLFKL-UHFFFAOYSA-N -1 3 355.350 3.015 20 0 FGADHM CCCN(CCN(CC)CC)C(=O)N=c1[n-]nc(-c2ccccc2)s1 ZINC000461417385 502105661 /nfs/dbraw/zinc/10/56/61/502105661.db2.gz KJMSDNWVFMJBTJ-UHFFFAOYSA-N -1 3 361.515 3.213 20 0 FGADHM COc1cc(CNC(=O)c2csc(=O)[n-]2)ccc1OCCC(C)C ZINC000471749421 502126145 /nfs/dbraw/zinc/12/61/45/502126145.db2.gz KSMCJVNVIBBOFT-UHFFFAOYSA-N -1 3 350.440 3.212 20 0 FGADHM COc1cc(C(=O)NCCc2c(C)oc3ccccc32)cc(OC)c1[O-] ZINC000468639831 502133712 /nfs/dbraw/zinc/13/37/12/502133712.db2.gz TZDJKKCGDNFMFJ-UHFFFAOYSA-N -1 3 355.390 3.437 20 0 FGADHM CC[C@H]1CN(c2ccccc2)CCN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000461513741 502133921 /nfs/dbraw/zinc/13/39/21/502133921.db2.gz GLDRZLZWNWJULQ-INIZCTEOSA-N -1 3 361.445 3.269 20 0 FGADHM Cc1ccc([C@H](NC(=O)NCc2nnc(C(F)(F)F)[n-]2)C2CC2)cc1 ZINC000482639203 502136269 /nfs/dbraw/zinc/13/62/69/502136269.db2.gz GATLSOUDHVBYFD-ZDUSSCGKSA-N -1 3 353.348 3.082 20 0 FGADHM Cc1ccc([C@H](NC(=O)NCc2n[n-]c(C(F)(F)F)n2)C2CC2)cc1 ZINC000482639203 502136273 /nfs/dbraw/zinc/13/62/73/502136273.db2.gz GATLSOUDHVBYFD-ZDUSSCGKSA-N -1 3 353.348 3.082 20 0 FGADHM Cc1ccc([C@H](NC(=O)NCc2nc(C(F)(F)F)n[n-]2)C2CC2)cc1 ZINC000482639203 502136277 /nfs/dbraw/zinc/13/62/77/502136277.db2.gz GATLSOUDHVBYFD-ZDUSSCGKSA-N -1 3 353.348 3.082 20 0 FGADHM CO[C@H]1CCOc2c(NC(=O)c3c[n-]c4ccccc4c3=O)cccc21 ZINC000468674449 502142585 /nfs/dbraw/zinc/14/25/85/502142585.db2.gz UHFCLTGQARJQIZ-KRWDZBQOSA-N -1 3 350.374 3.250 20 0 FGADHM CO[C@H]1CCOc2c(NC(=O)c3cnc4ccccc4c3[O-])cccc21 ZINC000468674449 502142589 /nfs/dbraw/zinc/14/25/89/502142589.db2.gz UHFCLTGQARJQIZ-KRWDZBQOSA-N -1 3 350.374 3.250 20 0 FGADHM C[N-]S(=O)(=O)c1cc(NC(=O)NCCCC2CCCCC2)ccc1F ZINC000486431654 502151441 /nfs/dbraw/zinc/15/14/41/502151441.db2.gz JTJPNEVNXYCRPZ-UHFFFAOYSA-N -1 3 371.478 3.216 20 0 FGADHM Cc1ccc(Br)cc1-c1n[n-]c(=N[C@@H](C)CCN(C)C)s1 ZINC000468698203 502151656 /nfs/dbraw/zinc/15/16/56/502151656.db2.gz GLNDIVIFIWJWGM-NSHDSACASA-N -1 3 369.332 3.450 20 0 FGADHM Cc1ccc(S[C@@H](C)C(=O)Nc2cc3c(cc2[O-])n(C)c(=O)n3C)cc1 ZINC000461616659 502154159 /nfs/dbraw/zinc/15/41/59/502154159.db2.gz YLYRDMSRRJVFRT-LBPRGKRZSA-N -1 3 371.462 3.010 20 0 FGADHM Cc1c2cccc(C)c2oc1C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C ZINC000461623403 502156415 /nfs/dbraw/zinc/15/64/15/502156415.db2.gz KEGBEIWDUNHHKW-UHFFFAOYSA-N -1 3 365.389 3.198 20 0 FGADHM C[C@@H](C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C)c1cc2ccccc2o1 ZINC000461633009 502159409 /nfs/dbraw/zinc/15/94/09/502159409.db2.gz RNOHCAYPXAJSDD-LLVKDONJSA-N -1 3 365.389 3.071 20 0 FGADHM CC[C@@H](C)n1nc(C(=O)Nc2nc3cccc(C(=O)OC)c3[n-]2)cc1C ZINC000479083832 502159472 /nfs/dbraw/zinc/15/94/72/502159472.db2.gz FFZJDRJOHSOSGV-SNVBAGLBSA-N -1 3 355.398 3.078 20 0 FGADHM CC[C@@H](C)n1nc(C(=O)Nc2nc3c(cccc3C(=O)OC)[n-]2)cc1C ZINC000479083832 502159477 /nfs/dbraw/zinc/15/94/77/502159477.db2.gz FFZJDRJOHSOSGV-SNVBAGLBSA-N -1 3 355.398 3.078 20 0 FGADHM Cc1ccc(OCCCC(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000471907339 502168162 /nfs/dbraw/zinc/16/81/62/502168162.db2.gz UGSADULPGTWDBT-UHFFFAOYSA-N -1 3 351.410 3.281 20 0 FGADHM Cc1ccc(OCCCC(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000471907339 502168167 /nfs/dbraw/zinc/16/81/67/502168167.db2.gz UGSADULPGTWDBT-UHFFFAOYSA-N -1 3 351.410 3.281 20 0 FGADHM CCc1ncc(S(=O)(=O)[N-]c2c(F)cc(C(C)=O)c(F)c2F)s1 ZINC000479139544 502174431 /nfs/dbraw/zinc/17/44/31/502174431.db2.gz IZUZERJCVIFABI-UHFFFAOYSA-N -1 3 364.370 3.126 20 0 FGADHM CCC[C@@H]1[C@@H](C)CCCN1C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C)c1 ZINC000486542136 502185471 /nfs/dbraw/zinc/18/54/71/502185471.db2.gz VKCDFHMODGLSIG-SWLSCSKDSA-N -1 3 371.478 3.166 20 0 FGADHM CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000468802195 502188691 /nfs/dbraw/zinc/18/86/91/502188691.db2.gz CMJCWBSFLOSCCU-FENDNCTDSA-N -1 3 355.475 3.050 20 0 FGADHM Cn1ccnc1CC1CCN(C(=O)CCCc2ccc([O-])c(F)c2)CC1 ZINC000468822669 502195782 /nfs/dbraw/zinc/19/57/82/502195782.db2.gz CUQKJJPJYAKVCS-UHFFFAOYSA-N -1 3 359.445 3.069 20 0 FGADHM CCCc1nsc(Sc2n[n-]c(-c3ccc(OC)cc3OC)n2)n1 ZINC000461776716 502198971 /nfs/dbraw/zinc/19/89/71/502198971.db2.gz NDAHNZXHIHJHJY-UHFFFAOYSA-N -1 3 363.468 3.444 20 0 FGADHM COCCOc1ccc(F)cc1S(=O)(=O)[N-][C@H]1C[C@H]1C1CCCCC1 ZINC000468835079 502199478 /nfs/dbraw/zinc/19/94/78/502199478.db2.gz CSDMFOWNCAJSAC-HOTGVXAUSA-N -1 3 371.474 3.098 20 0 FGADHM O=S(=O)([N-]c1ccc(-n2ccnc2)cc1)c1ccc2ncsc2c1 ZINC000475526373 502204667 /nfs/dbraw/zinc/20/46/67/502204667.db2.gz BFPPTGLADUSSRH-UHFFFAOYSA-N -1 3 356.432 3.283 20 0 FGADHM Cc1cccc(F)c1S(=O)(=O)[N-]C[C@H](c1cccs1)N1CCCC1 ZINC000475553002 502212185 /nfs/dbraw/zinc/21/21/85/502212185.db2.gz JWIZJNVJOVPGSI-OAHLLOKOSA-N -1 3 368.499 3.311 20 0 FGADHM Cc1ccc([C@@H](C[N-]S(=O)(=O)c2c(C)cccc2F)N(C)C)cc1 ZINC000475570226 502215239 /nfs/dbraw/zinc/21/52/39/502215239.db2.gz ICGWFDPUIBDNCZ-QGZVFWFLSA-N -1 3 350.459 3.024 20 0 FGADHM CC[C@H](C)c1nc([C@H](C)[N-]S(=O)(=O)c2ccc(C)cc2Cl)n[nH]1 ZINC000486640012 502217424 /nfs/dbraw/zinc/21/74/24/502217424.db2.gz WKDHEWHVYGZJIV-QWRGUYRKSA-N -1 3 356.879 3.320 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-]CCOc1ccccc1C(C)(C)C ZINC000472116847 502238130 /nfs/dbraw/zinc/23/81/30/502238130.db2.gz BSBGWGQUGMDORM-UHFFFAOYSA-N -1 3 369.508 3.412 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]Cc2cn3c(cccc3C)n2)c(Cl)cc1F ZINC000472118572 502238789 /nfs/dbraw/zinc/23/87/89/502238789.db2.gz VRMUXNDAFFDRIY-UHFFFAOYSA-N -1 3 367.833 3.222 20 0 FGADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]Cc1cn2c(cccc2C)n1 ZINC000472117933 502238862 /nfs/dbraw/zinc/23/88/62/502238862.db2.gz OFPBKNSHUZEAQX-UHFFFAOYSA-N -1 3 373.409 3.315 20 0 FGADHM Cc1ccc(CS(=O)(=O)[N-][C@H]2COc3ccc(Cl)cc32)cc1F ZINC000468951128 502241348 /nfs/dbraw/zinc/24/13/48/502241348.db2.gz NEYCWPNBSYVWNZ-HNNXBMFYSA-N -1 3 355.818 3.341 20 0 FGADHM CCc1cc(C(=O)N[C@H](C)c2noc(Cc3ccccc3)n2)ccc1[O-] ZINC000486776662 502256977 /nfs/dbraw/zinc/25/69/77/502256977.db2.gz CQXCCYQRIPYRJJ-CYBMUJFWSA-N -1 3 351.406 3.419 20 0 FGADHM COC(=O)[C@@H]([N-]S(=O)(=O)c1cc(C)ccc1C)c1cc(C)cc(C)c1 ZINC000469003513 502259243 /nfs/dbraw/zinc/25/92/43/502259243.db2.gz QNQXZZIKHPDMGB-SFHVURJKSA-N -1 3 361.463 3.113 20 0 FGADHM CO[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000472210440 502271147 /nfs/dbraw/zinc/27/11/47/502271147.db2.gz ZLXYMQDSDKJEGY-CHWSQXEVSA-N -1 3 372.899 3.309 20 0 FGADHM CCn1cnc(S(=O)(=O)[N-][C@H](c2cccc(F)c2)C2CCCC2)c1 ZINC000465495738 502278739 /nfs/dbraw/zinc/27/87/39/502278739.db2.gz WZEUQPAIZJMQLM-KRWDZBQOSA-N -1 3 351.447 3.252 20 0 FGADHM Cc1cc(F)c(S(=O)(=O)[N-]C[C@@H]2CCCO[C@@H]2C(C)(C)C)cc1F ZINC000475760788 502284121 /nfs/dbraw/zinc/28/41/21/502284121.db2.gz UFDVGGBDOVPCAL-LRDDRELGSA-N -1 3 361.454 3.393 20 0 FGADHM CCC1(Cc2ccccc2)CCN(Cc2cc(=O)n3[n-]ccc3n2)CC1 ZINC000483128306 502284554 /nfs/dbraw/zinc/28/45/54/502284554.db2.gz HYJMOJIHDCHAKA-UHFFFAOYSA-N -1 3 350.466 3.258 20 0 FGADHM O=S(=O)([N-][C@H]1COc2ccc(F)cc21)c1ccc(C(F)(F)F)s1 ZINC000462067021 502292917 /nfs/dbraw/zinc/29/29/17/502292917.db2.gz JVZGJLSPYYPWMW-VIFPVBQESA-N -1 3 367.345 3.318 20 0 FGADHM C[C@@]1([N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)CCO[C@@H]1C1CC1 ZINC000462072884 502295007 /nfs/dbraw/zinc/29/50/07/502295007.db2.gz HAHAFVIJQLPWMI-VXGBXAGGSA-N -1 3 355.403 3.003 20 0 FGADHM C[C@@H]1CN(S(=O)(=O)[N-]c2ccccc2Oc2ccccc2)[C@H](C)CO1 ZINC000462072534 502295613 /nfs/dbraw/zinc/29/56/13/502295613.db2.gz SJJXIORARRKEIX-HUUCEWRRSA-N -1 3 362.451 3.245 20 0 FGADHM CC(C)[C@@H](O)C(C)(C)C[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000462078080 502298856 /nfs/dbraw/zinc/29/88/56/502298856.db2.gz WUFKGIVSZCCHDP-LLVKDONJSA-N -1 3 359.435 3.088 20 0 FGADHM CCc1cnc(C[N-]S(=O)(=O)c2oc3ccc(F)cc3c2C)s1 ZINC000472298068 502304808 /nfs/dbraw/zinc/30/48/08/502304808.db2.gz MLOOYEBIUHSQOV-UHFFFAOYSA-N -1 3 354.428 3.378 20 0 FGADHM COCc1ccccc1S(=O)(=O)[N-]c1ccc2nc(C(F)F)[nH]c2c1 ZINC000486921454 502305010 /nfs/dbraw/zinc/30/50/10/502305010.db2.gz WZIRCCKWZSADCN-UHFFFAOYSA-N -1 3 367.377 3.448 20 0 FGADHM COc1ccc(CC[N-]S(=O)(=O)c2ccc(F)c(F)c2)c(Cl)c1 ZINC000472303659 502307639 /nfs/dbraw/zinc/30/76/39/502307639.db2.gz YULDRIMUGOCQMU-UHFFFAOYSA-N -1 3 361.797 3.148 20 0 FGADHM CC(C)(C[N-]S(=O)(=O)c1ccccn1)c1ccc(C(F)(F)F)cc1 ZINC000469125275 502307715 /nfs/dbraw/zinc/30/77/15/502307715.db2.gz PLACZTJLHAGVOX-UHFFFAOYSA-N -1 3 358.385 3.357 20 0 FGADHM COCc1nc2cc(NC(=O)c3c[n-]c4c(C)cccc4c3=O)ccc2o1 ZINC000483204610 502312744 /nfs/dbraw/zinc/31/27/44/502312744.db2.gz RYXYBGUQSWBHEA-UHFFFAOYSA-N -1 3 363.373 3.376 20 0 FGADHM O=C(CCOc1ccc2ccccc2c1)NCc1nnc(C(F)(F)F)[n-]1 ZINC000487078765 502350988 /nfs/dbraw/zinc/35/09/88/502350988.db2.gz AEXSVIYHJMUJNC-UHFFFAOYSA-N -1 3 364.327 3.062 20 0 FGADHM O=C(CCOc1ccc2ccccc2c1)NCc1n[n-]c(C(F)(F)F)n1 ZINC000487078765 502350995 /nfs/dbraw/zinc/35/09/95/502350995.db2.gz AEXSVIYHJMUJNC-UHFFFAOYSA-N -1 3 364.327 3.062 20 0 FGADHM O=C(CCOc1ccc2ccccc2c1)NCc1nc(C(F)(F)F)n[n-]1 ZINC000487078765 502351001 /nfs/dbraw/zinc/35/10/01/502351001.db2.gz AEXSVIYHJMUJNC-UHFFFAOYSA-N -1 3 364.327 3.062 20 0 FGADHM O=S(=O)([N-]C[C@@H]1CCCCO1)c1cc(Cl)ccc1OCC1CCC1 ZINC000469258844 502353541 /nfs/dbraw/zinc/35/35/41/502353541.db2.gz 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ZINC000463161979 502709724 /nfs/dbraw/zinc/70/97/24/502709724.db2.gz JTCAMULKYSJHRR-UHFFFAOYSA-N -1 3 351.197 3.073 20 0 FGADHM O=S(=O)([N-]c1cc(-c2nc[nH]n2)ccc1F)c1cccc(Cl)c1 ZINC000470260595 502718848 /nfs/dbraw/zinc/71/88/48/502718848.db2.gz DYXVQZVHGVVUFK-UHFFFAOYSA-N -1 3 352.778 3.065 20 0 FGADHM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(-c3nc[nH]n3)ccc2F)c(C)c1 ZINC000470261704 502719075 /nfs/dbraw/zinc/71/90/75/502719075.db2.gz UNYBRKFNNDYPLM-UHFFFAOYSA-N -1 3 360.414 3.337 20 0 FGADHM Cc1nc2ccccc2n1CCCCCN1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC000463212071 502721568 /nfs/dbraw/zinc/72/15/68/502721568.db2.gz IFQIMAMKMLAWPL-MRXNPFEDSA-N -1 3 368.485 3.218 20 0 FGADHM O=C(CCc1cccc(Br)c1)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000473848338 502722875 /nfs/dbraw/zinc/72/28/75/502722875.db2.gz GPRAUNMEOSLBMQ-CQSZACIVSA-N -1 3 364.243 3.017 20 0 FGADHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)[C@@H]1C[C@@H]1c1ccccc1OC(F)F ZINC000473859443 502728957 /nfs/dbraw/zinc/72/89/57/502728957.db2.gz 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ZINC000463299353 502748789 /nfs/dbraw/zinc/74/87/89/502748789.db2.gz JAXOBCSWEMGPBC-UHFFFAOYSA-N -1 3 373.376 3.046 20 0 FGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1cccc(-c2noc(C3CC3)n2)c1 ZINC000463299353 502748794 /nfs/dbraw/zinc/74/87/94/502748794.db2.gz JAXOBCSWEMGPBC-UHFFFAOYSA-N -1 3 373.376 3.046 20 0 FGADHM Cc1nc(S(=O)(=O)[N-][C@@H](C)[C@H](c2ccccc2C)N(C)C)sc1C ZINC000473943104 502758108 /nfs/dbraw/zinc/75/81/08/502758108.db2.gz WJXDIYODDLOKPS-XJKSGUPXSA-N -1 3 367.540 3.038 20 0 FGADHM CS[C@@H]1CCC[C@@H](NC(=O)Cc2ccc(Br)cc2[O-])C1 ZINC000477376775 502758342 /nfs/dbraw/zinc/75/83/42/502758342.db2.gz USHUJQIFPIVKBM-CHWSQXEVSA-N -1 3 358.301 3.488 20 0 FGADHM CN(C)c1nc(C(=O)N2CCC[C@H]2c2cccc3ccccc32)cc(=O)[n-]1 ZINC000463338302 502764305 /nfs/dbraw/zinc/76/43/05/502764305.db2.gz SRBRBGJABNHEAW-SFHVURJKSA-N -1 3 362.433 3.379 20 0 FGADHM COCCS(=O)(=O)[N-]c1c(C)cc(Br)c2ccccc21 ZINC000477423611 502771570 /nfs/dbraw/zinc/77/15/70/502771570.db2.gz ARJQQLNNKQEFJV-UHFFFAOYSA-N -1 3 358.257 3.299 20 0 FGADHM Cc1nc(CCNC(=O)Cc2ccc(Br)cc2[O-])sc1C ZINC000477439368 502774611 /nfs/dbraw/zinc/77/46/11/502774611.db2.gz YTTXEXYCQVJLIU-UHFFFAOYSA-N -1 3 369.284 3.129 20 0 FGADHM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(-n3cnnn3)cc2)cc1 ZINC000467072205 502779179 /nfs/dbraw/zinc/77/91/79/502779179.db2.gz AQSVGCAXDIIZIH-UHFFFAOYSA-N -1 3 371.466 3.151 20 0 FGADHM CCc1cc(=O)[n-]c(CN(C)CCc2cccc(Br)c2)n1 ZINC000463417118 502792222 /nfs/dbraw/zinc/79/22/22/502792222.db2.gz CCTCCRKNSXLUIX-UHFFFAOYSA-N -1 3 350.260 3.182 20 0 FGADHM C[C@H]1[C@H](CO)CCN1Cc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000488736759 502796921 /nfs/dbraw/zinc/79/69/21/502796921.db2.gz WBFZDXGHRFPJNV-JSGCOSHPSA-N -1 3 355.463 3.267 20 0 FGADHM COCCC1([N-]S(=O)(=O)c2ccc(OC)c(Cl)c2Cl)CCC1 ZINC000481251354 502797352 /nfs/dbraw/zinc/79/73/52/502797352.db2.gz LXBNVSHINKZBMU-UHFFFAOYSA-N -1 3 368.282 3.240 20 0 FGADHM CCn1cnc(S(=O)(=O)[N-]Cc2ccc(OC3CCCCC3)cc2)c1 ZINC000474095776 502806978 /nfs/dbraw/zinc/80/69/78/502806978.db2.gz KRYUXXNVBKFFAW-UHFFFAOYSA-N -1 3 363.483 3.093 20 0 FGADHM Cc1cc(C[N-]S(=O)(=O)c2ccc(OCc3ccccc3)cc2)on1 ZINC000488771681 502807848 /nfs/dbraw/zinc/80/78/48/502807848.db2.gz UZVHXFVOTDNFHO-UHFFFAOYSA-N -1 3 358.419 3.041 20 0 FGADHM O=C(NCc1cc(F)c(C(F)(F)F)cc1F)c1cc(F)cc2nn[n-]c21 ZINC000488778550 502809319 /nfs/dbraw/zinc/80/93/19/502809319.db2.gz BULHIYJBVUHOFO-UHFFFAOYSA-N -1 3 374.244 3.324 20 0 FGADHM O=C(NCc1cc(F)c(C(F)(F)F)cc1F)c1cc(F)cc2[n-]nnc21 ZINC000488778550 502809323 /nfs/dbraw/zinc/80/93/23/502809323.db2.gz BULHIYJBVUHOFO-UHFFFAOYSA-N -1 3 374.244 3.324 20 0 FGADHM O=C(NCc1cc(F)c(C(F)(F)F)cc1F)c1cc(F)cc2n[n-]nc21 ZINC000488778550 502809326 /nfs/dbraw/zinc/80/93/26/502809326.db2.gz BULHIYJBVUHOFO-UHFFFAOYSA-N -1 3 374.244 3.324 20 0 FGADHM O=C(Nc1nnc(-c2cc3ccccc3o2)[n-]1)c1cccc(-n2cncn2)c1 ZINC000485098422 502815035 /nfs/dbraw/zinc/81/50/35/502815035.db2.gz YZQDEBMNVZMAPD-UHFFFAOYSA-N -1 3 371.360 3.051 20 0 FGADHM O=C(Nc1nc(-c2cc3ccccc3o2)n[n-]1)c1cccc(-n2cncn2)c1 ZINC000485098422 502815037 /nfs/dbraw/zinc/81/50/37/502815037.db2.gz YZQDEBMNVZMAPD-UHFFFAOYSA-N -1 3 371.360 3.051 20 0 FGADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)c1cccc(-n2cncn2)c1 ZINC000485098422 502815038 /nfs/dbraw/zinc/81/50/38/502815038.db2.gz YZQDEBMNVZMAPD-UHFFFAOYSA-N -1 3 371.360 3.051 20 0 FGADHM O=S(=O)([N-]Cc1cccc(F)c1)c1cc(Br)ccc1F ZINC000500576741 502817964 /nfs/dbraw/zinc/81/79/64/502817964.db2.gz LJXRLPQUOJPRJX-UHFFFAOYSA-N -1 3 362.195 3.206 20 0 FGADHM CCC(C)(C)C1CCC2(C[C@@H]2C(=O)Nc2nc(CC(=O)OC)n[n-]2)CC1 ZINC000512996656 502828419 /nfs/dbraw/zinc/82/84/19/502828419.db2.gz MYCCNQPVOSNXBX-FWHMADFJSA-N -1 3 362.474 3.091 20 0 FGADHM CCC(C)(C)C1CCC2(C[C@@H]2C(=O)Nc2nnc(CC(=O)OC)[n-]2)CC1 ZINC000512996656 502828422 /nfs/dbraw/zinc/82/84/22/502828422.db2.gz MYCCNQPVOSNXBX-FWHMADFJSA-N -1 3 362.474 3.091 20 0 FGADHM CCC(C)(C)C1CCC2(C[C@@H]2C(=O)Nc2n[n-]c(CC(=O)OC)n2)CC1 ZINC000512996656 502828428 /nfs/dbraw/zinc/82/84/28/502828428.db2.gz MYCCNQPVOSNXBX-FWHMADFJSA-N -1 3 362.474 3.091 20 0 FGADHM CC[C@H]1CCCC[C@H]1N(C)C(=O)C(=O)[N-]c1scc(C)c1C(=O)OC ZINC000500702143 502843020 /nfs/dbraw/zinc/84/30/20/502843020.db2.gz ZDHSFXQCXQQAAU-QWHCGFSZSA-N -1 3 366.483 3.209 20 0 FGADHM O=S(=O)([N-]CCCN1CCc2ccccc21)c1cc(F)ccc1Cl ZINC000488971758 502850478 /nfs/dbraw/zinc/85/04/78/502850478.db2.gz KEEOFRIQYFHEQO-UHFFFAOYSA-N -1 3 368.861 3.210 20 0 FGADHM COC(=O)[C@H]1CCCCCC[C@@H]1NC(=O)Cc1ccc([O-])cc1Cl ZINC000509238971 502856741 /nfs/dbraw/zinc/85/67/41/502856741.db2.gz KSICCMCFQYGJEP-HOCLYGCPSA-N -1 3 353.846 3.216 20 0 FGADHM Cn1c(NC(=O)c2ccc(C(=O)c3cccc([O-])c3)cc2)nc2cccnc21 ZINC000505165719 502862653 /nfs/dbraw/zinc/86/26/53/502862653.db2.gz MIJSDVCORFWHNN-UHFFFAOYSA-N -1 3 372.384 3.157 20 0 FGADHM O=C([N-]c1nc2ccc(Cl)cn2n1)c1csc(-c2ncccc2F)n1 ZINC000513155689 502865809 /nfs/dbraw/zinc/86/58/09/502865809.db2.gz XJMAGSXYXBLZOR-UHFFFAOYSA-N -1 3 374.788 3.293 20 0 FGADHM Cc1nc(-c2ccc(NC(=O)NCc3cnn4ccccc34)cc2)cc(=O)[n-]1 ZINC000513502845 502954268 /nfs/dbraw/zinc/95/42/68/502954268.db2.gz HAWCTOTZVMDORX-UHFFFAOYSA-N -1 3 374.404 3.127 20 0 FGADHM C[C@](O)(CCc1ccccc1)C(=O)Nc1cc(Br)ccc1[O-] ZINC000513604164 502977946 /nfs/dbraw/zinc/97/79/46/502977946.db2.gz GDBWEGHHGFOANI-KRWDZBQOSA-N -1 3 364.239 3.477 20 0 FGADHM Brc1ccc(C2(CN=c3ncnc4[nH][n-]cc3-4)CCC2)s1 ZINC000505756183 502979977 /nfs/dbraw/zinc/97/99/77/502979977.db2.gz KFKMNGHFLGFKKX-UHFFFAOYSA-N -1 3 364.272 3.084 20 0 FGADHM CC(=O)CCc1ccc(OCC(=O)N=c2cc(-c3ccccc3)[n-][nH]2)cc1 ZINC000497564155 502988765 /nfs/dbraw/zinc/98/87/65/502988765.db2.gz PZTVNYTVWMTPCS-UHFFFAOYSA-N -1 3 363.417 3.038 20 0 FGADHM CCCCOCCCNC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000509849729 502997299 /nfs/dbraw/zinc/99/72/99/502997299.db2.gz DWYNSKYHEJKYKX-UHFFFAOYSA-N -1 3 358.442 3.486 20 0 FGADHM C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)Cc1ccc(Br)cc1[O-] ZINC000509881277 503004007 /nfs/dbraw/zinc/00/40/07/503004007.db2.gz YCGBVZFPWABFNX-KCJUWKMLSA-N -1 3 366.177 3.497 20 0 FGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]CCOc2cc(C)cc(C)c2)c1 ZINC000489675578 503008890 /nfs/dbraw/zinc/00/88/90/503008890.db2.gz DHUPZOBDLILYNK-UHFFFAOYSA-N -1 3 369.870 3.323 20 0 FGADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](COc1ccccc1F)C(C)(C)C ZINC000489682964 503010260 /nfs/dbraw/zinc/01/02/60/503010260.db2.gz WGAVWVXOUKRCGB-HNNXBMFYSA-N -1 3 370.446 3.203 20 0 FGADHM O=C([N-]c1nnc(C=Cc2ccco2)s1)c1csc(NC2CC2)n1 ZINC000497670152 503011602 /nfs/dbraw/zinc/01/16/02/503011602.db2.gz ICINKTVSQYMWTR-WAYWQWQTSA-N -1 3 359.436 3.007 20 0 FGADHM CCN=c1[n-]c(C(=O)Nc2nc3cc(C(F)(F)F)ccc3[nH]2)cs1 ZINC000497674468 503012734 /nfs/dbraw/zinc/01/27/34/503012734.db2.gz UYFBJTHLTCUZHA-UHFFFAOYSA-N -1 3 355.345 3.144 20 0 FGADHM Cc1cc(C(=O)N2CCc3c(Br)cccc3[C@H]2C)[n-]c(=O)n1 ZINC000509930610 503013674 /nfs/dbraw/zinc/01/36/74/503013674.db2.gz LRLCIGFCQZLVTL-SNVBAGLBSA-N -1 3 362.227 3.013 20 0 FGADHM CSc1cc2c(cc1[N-]C(=O)c1cn(-c3ccccc3)nn1)OCCO2 ZINC000505921580 503013733 /nfs/dbraw/zinc/01/37/33/503013733.db2.gz 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ZINC000593034182 506349174 /nfs/dbraw/zinc/34/91/74/506349174.db2.gz DXGKXNFBMHJZLX-UHFFFAOYSA-N -1 3 362.455 3.438 20 0 FGADHM Cc1nc(-c2ccc(NC(=O)N(C)CCc3ccccn3)cc2)cc(=O)[n-]1 ZINC000501708441 503065169 /nfs/dbraw/zinc/06/51/69/503065169.db2.gz LNVGQEDQNCQCDN-UHFFFAOYSA-N -1 3 363.421 3.259 20 0 FGADHM CC(C)(C)c1ccc(NC(=O)C[C@@H]2Oc3ccccc3NC2=O)c([O-])c1 ZINC000506251088 503078729 /nfs/dbraw/zinc/07/87/29/503078729.db2.gz VDZVSNQWGIUQJJ-KRWDZBQOSA-N -1 3 354.406 3.418 20 0 FGADHM CC(C)[C@@H](NC(=O)c1ccccn1)C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000506254850 503078917 /nfs/dbraw/zinc/07/89/17/503078917.db2.gz QDQAHKKXZNEDIJ-GOSISDBHSA-N -1 3 369.465 3.478 20 0 FGADHM O=S(=O)([N-]CC1CC(F)(F)C1)c1cc(Br)ccc1Cl ZINC000489992940 503084515 /nfs/dbraw/zinc/08/45/15/503084515.db2.gz NMOPLPQTBSKRGX-UHFFFAOYSA-N -1 3 374.634 3.426 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]C[C@@H]2CCCCC(F)(F)C2)c(F)c1 ZINC000489999745 503086677 /nfs/dbraw/zinc/08/66/77/503086677.db2.gz GMRIOLPZVYNFNM-LLVKDONJSA-N -1 3 351.390 3.328 20 0 FGADHM COC(=O)[C@@H](Sc1n[n-]c(COc2ccc(Cl)cc2)n1)C1CC1 ZINC000514117050 503092634 /nfs/dbraw/zinc/09/26/34/503092634.db2.gz PXNSGRHFGLGDLV-ZDUSSCGKSA-N -1 3 353.831 3.081 20 0 FGADHM CCn1cc(S(=O)(=O)[N-]C2(Cc3ccc(Cl)cc3)CCC2)nc1C ZINC000490076445 503104985 /nfs/dbraw/zinc/10/49/85/503104985.db2.gz BBIDRIGUNNIFMK-UHFFFAOYSA-N -1 3 367.902 3.309 20 0 FGADHM Cc1cc2ncc(C(=O)N=c3cc(-c4cc(C)c(C)cc4C)[n-][nH]3)c(C)n2n1 ZINC000490104907 503108881 /nfs/dbraw/zinc/10/88/81/503108881.db2.gz KFGNBYXEANQTDF-UHFFFAOYSA-N -1 3 374.448 3.336 20 0 FGADHM Cc1cc(C(=O)N2CC[C@](F)(c3cccc(C(F)(F)F)c3)C2)[n-]c(=O)n1 ZINC000514244937 503124152 /nfs/dbraw/zinc/12/41/52/503124152.db2.gz PMDYUHZMLOPQPM-MRXNPFEDSA-N -1 3 369.318 3.220 20 0 FGADHM CC[C@H](C)CS(=O)(=O)[N-][C@@](CC)(C(=O)OC)c1ccc(Cl)cc1 ZINC000510491570 503125356 /nfs/dbraw/zinc/12/53/56/503125356.db2.gz VCGKPCJVQBEGCG-BLLLJJGKSA-N -1 3 361.891 3.084 20 0 FGADHM Cc1ccoc1C[N-]S(=O)(=O)c1cnc2onc(-c3ccccc3)c2c1 ZINC000490295462 503148515 /nfs/dbraw/zinc/14/85/15/503148515.db2.gz BZNQRXHNIXRQCH-UHFFFAOYSA-N -1 3 369.402 3.270 20 0 FGADHM CCn1cc(S(=O)(=O)[N-]C(c2ccccc2)c2ccccc2)nc1C ZINC000502136983 503148949 /nfs/dbraw/zinc/14/89/49/503148949.db2.gz FUZADKLFCVPVMR-UHFFFAOYSA-N -1 3 355.463 3.279 20 0 FGADHM Cc1ccoc1C[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000490325886 503154526 /nfs/dbraw/zinc/15/45/26/503154526.db2.gz JFKGKJSXCOWOEK-UHFFFAOYSA-N -1 3 364.648 3.482 20 0 FGADHM COCCN(C(=O)Cc1ccc(Br)cc1[O-])[C@@H]1CC[C@@H](C)C1 ZINC000506711986 503159597 /nfs/dbraw/zinc/15/95/97/503159597.db2.gz WLDRJNQQFUSSCS-IUODEOHRSA-N -1 3 370.287 3.361 20 0 FGADHM Cc1cccc([C@H](NC(=O)c2cc(F)cc3nn[n-]c32)C(F)(F)F)c1 ZINC000502319044 503178936 /nfs/dbraw/zinc/17/89/36/503178936.db2.gz IMWHGJLMRPSMEX-AWEZNQCLSA-N -1 3 352.291 3.439 20 0 FGADHM Cc1cccc([C@H](NC(=O)c2cc(F)cc3[n-]nnc32)C(F)(F)F)c1 ZINC000502319044 503178940 /nfs/dbraw/zinc/17/89/40/503178940.db2.gz IMWHGJLMRPSMEX-AWEZNQCLSA-N -1 3 352.291 3.439 20 0 FGADHM Cc1cccc([C@H](NC(=O)c2cc(F)cc3n[n-]nc32)C(F)(F)F)c1 ZINC000502319044 503178941 /nfs/dbraw/zinc/17/89/41/503178941.db2.gz IMWHGJLMRPSMEX-AWEZNQCLSA-N -1 3 352.291 3.439 20 0 FGADHM CC(C)CCn1ncc(NC(=O)c2cnc3c(cnn3C)c2[O-])c1C(C)C ZINC000490477624 503180850 /nfs/dbraw/zinc/18/08/50/503180850.db2.gz QIOGDGQDOPDTDV-UHFFFAOYSA-N -1 3 370.457 3.292 20 0 FGADHM C[C@@H]1C[C@@H]1CNC(=O)c1sccc1S(=O)(=O)[N-]C1CCCCCC1 ZINC000510803087 503196105 /nfs/dbraw/zinc/19/61/05/503196105.db2.gz LEFWJQYFCZKXPP-CHWSQXEVSA-N -1 3 370.540 3.135 20 0 FGADHM Cc1cccc(N2C[C@@H](C(=O)N3CCCc4cccc([O-])c43)CC2=O)c1C ZINC000490864203 503238004 /nfs/dbraw/zinc/23/80/04/503238004.db2.gz XVSAWOQUVGKPKP-KRWDZBQOSA-N -1 3 364.445 3.341 20 0 FGADHM Cc1ccc(C)c([C@@H]2CCCN2C(=O)c2cncc([N-]S(C)(=O)=O)c2)c1 ZINC000502623467 503240332 /nfs/dbraw/zinc/24/03/32/503240332.db2.gz NOLBVWWGWDXIAW-SFHVURJKSA-N -1 3 373.478 3.047 20 0 FGADHM COCc1ccccc1S(=O)(=O)[N-]c1c2c(ccc1Cl)OCC2 ZINC000514982690 503241331 /nfs/dbraw/zinc/24/13/31/503241331.db2.gz RKAIIXJLENYTON-UHFFFAOYSA-N -1 3 353.827 3.222 20 0 FGADHM O=S(=O)([N-]CCOc1ccccc1F)c1ccccc1C(F)(F)F ZINC000515004512 503248532 /nfs/dbraw/zinc/24/85/32/503248532.db2.gz MZLKMBYWKQWQIH-UHFFFAOYSA-N -1 3 363.332 3.202 20 0 FGADHM CCCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)c2cc([O-])ccc2Cl)C1 ZINC000515008551 503249298 /nfs/dbraw/zinc/24/92/98/503249298.db2.gz GLDNOPBWGDBDJJ-OLZOCXBDSA-N -1 3 352.862 3.203 20 0 FGADHM O=C(c1c[n-]c2c(F)cc(F)cc2c1=O)N1CC[C@@H](c2ccccc2)C1 ZINC000490999144 503258407 /nfs/dbraw/zinc/25/84/07/503258407.db2.gz KLVZBKKPECSPLR-CYBMUJFWSA-N -1 3 354.356 3.436 20 0 FGADHM C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N(C)CCCCc1ccccc1 ZINC000515069113 503264370 /nfs/dbraw/zinc/26/43/70/503264370.db2.gz XWQZZAGSHRVTHQ-QGZVFWFLSA-N -1 3 368.477 3.344 20 0 FGADHM COCCOc1cc(NC(=O)c2c[n-]nc2-c2ccccc2)ccc1OC ZINC000507278284 503267722 /nfs/dbraw/zinc/26/77/22/503267722.db2.gz HZNVBXKUPSWYSZ-UHFFFAOYSA-N -1 3 367.405 3.363 20 0 FGADHM 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ZINC000499093358 503332473 /nfs/dbraw/zinc/33/24/73/503332473.db2.gz AAAJXMJNUMXRJV-UHFFFAOYSA-N -1 3 355.438 3.018 20 0 FGADHM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc(OCCCO)cc2)c1C ZINC000507642419 503337027 /nfs/dbraw/zinc/33/70/27/503337027.db2.gz CCYPJFKWFHNHGP-UHFFFAOYSA-N -1 3 363.479 3.482 20 0 FGADHM CCCc1ccc(-c2cc(=NC(=O)CCCC(=O)N(CC)CC)[nH][n-]2)cc1 ZINC000503158055 503357347 /nfs/dbraw/zinc/35/73/47/503357347.db2.gz BFJGGMMFIWABEU-UHFFFAOYSA-N -1 3 370.497 3.428 20 0 FGADHM CCN=c1[n-]c(C(=O)Nc2cnc(N3CCCC[C@H]3C)c(C)c2)cs1 ZINC000507831509 503375691 /nfs/dbraw/zinc/37/56/91/503375691.db2.gz XISQAYOTMMCQQF-CYBMUJFWSA-N -1 3 359.499 3.331 20 0 FGADHM CCn1cc(S(=O)(=O)[N-][C@@H](c2ccc(F)c(C)c2)C2CC2)nc1C ZINC000503243784 503376047 /nfs/dbraw/zinc/37/60/47/503376047.db2.gz QLFLLDFGULAMBW-QGZVFWFLSA-N -1 3 351.447 3.089 20 0 FGADHM CN(Cc1ccccc1)[C@H](CN=c1nc(C(F)(F)F)[n-]s1)C1CC1 ZINC000515624744 503376147 /nfs/dbraw/zinc/37/61/47/503376147.db2.gz HZQXRCHMGRLPTM-CYBMUJFWSA-N -1 3 356.417 3.301 20 0 FGADHM CN(Cc1ccccc1)[C@H](CN=c1[n-]c(C(F)(F)F)ns1)C1CC1 ZINC000515624744 503376149 /nfs/dbraw/zinc/37/61/49/503376149.db2.gz HZQXRCHMGRLPTM-CYBMUJFWSA-N -1 3 356.417 3.301 20 0 FGADHM COCCc1ccccc1NC(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000507886381 503387428 /nfs/dbraw/zinc/38/74/28/503387428.db2.gz LJITWVMZHBKVQH-UHFFFAOYSA-N -1 3 358.344 3.248 20 0 FGADHM COCCc1ccccc1NC(=O)c1cnc2c(F)cc(F)cc2c1[O-] ZINC000507886381 503387432 /nfs/dbraw/zinc/38/74/32/503387432.db2.gz LJITWVMZHBKVQH-UHFFFAOYSA-N -1 3 358.344 3.248 20 0 FGADHM CCC[C@@](C)([N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl)C(=O)OC ZINC000515707492 503387927 /nfs/dbraw/zinc/38/79/27/503387927.db2.gz PLGNSXIPCVWATL-CQSZACIVSA-N -1 3 368.282 3.312 20 0 FGADHM COC(=O)[C@@H](CS(=O)(=O)[N-]c1cc2[nH]ccc2cc1C)c1ccccc1 ZINC000507920531 503396026 /nfs/dbraw/zinc/39/60/26/503396026.db2.gz NLMYNJMFGULOKB-INIZCTEOSA-N -1 3 372.446 3.175 20 0 FGADHM Cc1cc(CS(=O)(=O)[N-][C@@H](CC(F)(F)F)c2ccc(F)cc2)on1 ZINC000507932944 503398893 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/nfs/dbraw/zinc/04/26/46/504042646.db2.gz PMVOFTZNOJUKON-CHWSQXEVSA-N -1 3 354.878 3.437 20 0 FGADHM Cc1ccc(CC[N-]S(=O)(=O)c2cc(C)c(Br)s2)o1 ZINC000530717250 504062529 /nfs/dbraw/zinc/06/25/29/504062529.db2.gz KSLDVRBEDGOATO-UHFFFAOYSA-N -1 3 364.286 3.241 20 0 FGADHM CCOC(=O)c1c(CC(C)C)csc1[N-]C(=O)C(=O)N1CCC[C@@H]1C ZINC000530734552 504069446 /nfs/dbraw/zinc/06/94/46/504069446.db2.gz OJONSEWMAKAUNW-LBPRGKRZSA-N -1 3 366.483 3.073 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]CC(C)(C)CCCO)c(Cl)c1Cl ZINC000537870116 504070401 /nfs/dbraw/zinc/07/04/01/504070401.db2.gz YYDLBGYOEACCTJ-UHFFFAOYSA-N -1 3 370.298 3.079 20 0 FGADHM Cc1ncc(CNC(=O)N[C@@H](c2cccc(F)c2)C2CCCC2)c(=O)[n-]1 ZINC000544286483 504073481 /nfs/dbraw/zinc/07/34/81/504073481.db2.gz YBRXREXTLZXRQR-QGZVFWFLSA-N -1 3 358.417 3.360 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@H]1CCCC[C@H]1C(C)(C)C ZINC000518836252 504076011 /nfs/dbraw/zinc/07/60/11/504076011.db2.gz MRHRXUZHELJALH-MJBXVCDLSA-N -1 3 372.556 3.136 20 0 FGADHM 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/nfs/dbraw/zinc/54/52/51/507545251.db2.gz ALLVNPMIZIUNJI-UHFFFAOYSA-N -1 3 369.421 3.438 20 0 FGADHM CC(C)(C)OC(=O)[C@H]1CN(C(=O)c2cc(F)c[n-]c2=O)Cc2ccccc21 ZINC000598745534 507578665 /nfs/dbraw/zinc/57/86/65/507578665.db2.gz KVXOMXNQUITONB-INIZCTEOSA-N -1 3 372.396 3.008 20 0 FGADHM Cc1ccc(CN(Cc2nc3c(cnn3C)c(=O)[n-]2)c2ccc(F)cc2)o1 ZINC000595592753 507579806 /nfs/dbraw/zinc/57/98/06/507579806.db2.gz UUKSFFMTEIUJBV-UHFFFAOYSA-N -1 3 367.384 3.316 20 0 FGADHM C[S@](=O)[C@H]1CCC[C@@H](NC(=O)c2c[n-]nc2-c2ccc(Cl)s2)C1 ZINC000598754298 507584307 /nfs/dbraw/zinc/58/43/07/507584307.db2.gz KMBCIUWQHQSXPL-WUGBYWSNSA-N -1 3 371.915 3.211 20 0 FGADHM CC1(C)CCN1C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000607039433 507592651 /nfs/dbraw/zinc/59/26/51/507592651.db2.gz QHKWMGVNUCABDR-UHFFFAOYSA-N -1 3 362.426 3.251 20 0 FGADHM COC(=O)c1c2c(sc1[N-]C(=O)c1ncoc1-c1ccon1)CCCC2 ZINC000598802546 507608876 /nfs/dbraw/zinc/60/88/76/507608876.db2.gz AMAZQRWDVRSSFM-UHFFFAOYSA-N -1 3 373.390 3.309 20 0 FGADHM CC[C@H](NCc1ccc(OC)c([O-])c1Br)C(=O)OC(C)(C)C ZINC000592376761 507627085 /nfs/dbraw/zinc/62/70/85/507627085.db2.gz FWRNKIAWAITVSD-NSHDSACASA-N -1 3 374.275 3.373 20 0 FGADHM CC(C)(C)OC(=O)CCC1CCN(Cc2cc(=O)[n-]c(C3CC3)n2)CC1 ZINC000595715415 507644943 /nfs/dbraw/zinc/64/49/43/507644943.db2.gz HDOOXYWPESNEAW-UHFFFAOYSA-N -1 3 361.486 3.394 20 0 FGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(NC(=O)NC2(C)CCCC2)ccc1F ZINC000607221178 507657900 /nfs/dbraw/zinc/65/79/00/507657900.db2.gz KDPIKCGXORXROY-UHFFFAOYSA-N -1 3 371.478 3.357 20 0 FGADHM C[C@@H](CSCCNCc1cnn(Cc2ccccc2Cl)c1)C(=O)[O-] ZINC000592461353 507663891 /nfs/dbraw/zinc/66/38/91/507663891.db2.gz TYDGKTXTPUEHFJ-ZDUSSCGKSA-N -1 3 367.902 3.128 20 0 FGADHM C[C@H](CSCCNCc1cccc(Br)c1F)C(=O)[O-] ZINC000592460860 507664342 /nfs/dbraw/zinc/66/43/42/507664342.db2.gz BPBJGSQHGDUGLL-SECBINFHSA-N -1 3 350.253 3.132 20 0 FGADHM C[C@H](CSCCNCc1cccc(F)c1Br)C(=O)[O-] ZINC000592461845 507665965 /nfs/dbraw/zinc/66/59/65/507665965.db2.gz MKGGKQHFGGGDOD-SECBINFHSA-N -1 3 350.253 3.132 20 0 FGADHM Cc1cccc2cc(C(=O)N[C@@H](C)[C@H](C)C(=O)Nc3ncccc3[O-])oc21 ZINC000614824469 507666404 /nfs/dbraw/zinc/66/64/04/507666404.db2.gz VHFPAGVLMSMFNL-STQMWFEESA-N -1 3 367.405 3.235 20 0 FGADHM CC(=O)c1ccc(C(=O)N(C[C@H](C)c2ccccc2)[C@@H](C)CO)cc1[O-] ZINC000614875912 507681525 /nfs/dbraw/zinc/68/15/25/507681525.db2.gz QQPBGDHXMISCNA-GJZGRUSLSA-N -1 3 355.434 3.222 20 0 FGADHM Cn1ncc2c1nc(CN1Cc3ccccc3-c3ccccc3C1)[n-]c2=O ZINC000586832102 507687968 /nfs/dbraw/zinc/68/79/68/507687968.db2.gz KZNUDHHXKXYBLO-UHFFFAOYSA-N -1 3 357.417 3.252 20 0 FGADHM COC(=O)c1cc(Cl)cc(NC(=O)c2cnn(CC(C)C)c2C)c1[O-] ZINC000588095742 507759782 /nfs/dbraw/zinc/75/97/82/507759782.db2.gz GCMUTXKZMQOMSA-UHFFFAOYSA-N -1 3 365.817 3.245 20 0 FGADHM CO[C@H]1CCC[C@@H](C(=O)Nc2nnc(-c3ccc4ccccc4n3)[n-]2)C1 ZINC000615119332 507759778 /nfs/dbraw/zinc/75/97/78/507759778.db2.gz JGLSHPREWRYNKR-KGLIPLIRSA-N -1 3 351.410 3.164 20 0 FGADHM CO[C@H]1CCC[C@@H](C(=O)Nc2nc(-c3ccc4ccccc4n3)n[n-]2)C1 ZINC000615119332 507759780 /nfs/dbraw/zinc/75/97/80/507759780.db2.gz JGLSHPREWRYNKR-KGLIPLIRSA-N -1 3 351.410 3.164 20 0 FGADHM CO[C@H]1CCC[C@@H](C(=O)Nc2n[n-]c(-c3ccc4ccccc4n3)n2)C1 ZINC000615119332 507759787 /nfs/dbraw/zinc/75/97/87/507759787.db2.gz JGLSHPREWRYNKR-KGLIPLIRSA-N -1 3 351.410 3.164 20 0 FGADHM COC(=O)c1cc(Cl)cc(NC(=O)c2ccncc2C(F)(F)F)c1[O-] ZINC000588097277 507761935 /nfs/dbraw/zinc/76/19/35/507761935.db2.gz FHGOSAIJXJLIBE-UHFFFAOYSA-N -1 3 374.702 3.498 20 0 FGADHM COC(=O)c1cc(Cl)cc(NC(=O)c2ccccc2-n2cccn2)c1[O-] ZINC000588099429 507762221 /nfs/dbraw/zinc/76/22/21/507762221.db2.gz VMUBRJNHYQHRSM-UHFFFAOYSA-N -1 3 371.780 3.270 20 0 FGADHM COC(=O)c1cc(C(=O)Nc2cc(C)n(-c3ccccc3Cl)n2)c[n-]1 ZINC000498094783 514759621 /nfs/dbraw/zinc/75/96/21/514759621.db2.gz LVRFVGMIMOZHTF-UHFFFAOYSA-N -1 3 358.785 3.201 20 0 FGADHM Cn1[n-]c(=NC(=O)c2cnn(-c3ccccc3)c2C2CC2)cc1OC(F)F ZINC000490933992 515335943 /nfs/dbraw/zinc/33/59/43/515335943.db2.gz FVIAJVOEFUYWMR-UHFFFAOYSA-N -1 3 373.363 3.337 20 0 FGADHM Cn1[n-]c(=NC(=O)c2c(F)cccc2Br)cc1OC(F)F ZINC000490977223 515348575 /nfs/dbraw/zinc/34/85/75/515348575.db2.gz XAMNUTYTWBKKPW-UHFFFAOYSA-N -1 3 364.121 3.175 20 0 FGADHM Cn1[n-]c(=NC(=O)c2ccc(Br)cc2F)cc1OC(F)F ZINC000490992274 515353080 /nfs/dbraw/zinc/35/30/80/515353080.db2.gz VPJRJSGFQUQSHE-UHFFFAOYSA-N -1 3 364.121 3.175 20 0 FGADHM Cn1[n-]c(=NC(=O)[C@@H]2C[C@@H]2c2ccccc2OC(F)F)cc1OC(F)F ZINC000491040266 515363319 /nfs/dbraw/zinc/36/33/19/515363319.db2.gz VGSCOHMLCCMNLB-NXEZZACHSA-N -1 3 373.306 3.365 20 0 FGADHM Cn1[n-]c(=NC(=O)c2ccc(Oc3ccccc3)nc2)cc1OC(F)F ZINC000491050994 515364708 /nfs/dbraw/zinc/36/47/08/515364708.db2.gz NOQWAAWNTUHYST-UHFFFAOYSA-N -1 3 360.320 3.461 20 0 FGADHM C[C@@H]1[C@H](C)SCCN1C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482211943 515609656 /nfs/dbraw/zinc/60/96/56/515609656.db2.gz PANHTCGOORBHAE-ZJUUUORDSA-N -1 3 369.288 3.455 20 0 FGADHM O=C(Cc1cc(F)ccc1Br)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000473853959 515777772 /nfs/dbraw/zinc/77/77/72/515777772.db2.gz FNODBVWUSBGOPX-ZDUSSCGKSA-N -1 3 368.206 3.344 20 0 FGADHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)c1cnn2c1nccc2-c1ccccc1 ZINC000473855115 515777796 /nfs/dbraw/zinc/77/77/96/515777796.db2.gz LVUZJJCQKQQBBD-QGZVFWFLSA-N -1 3 374.404 3.223 20 0 FGADHM CCN=c1[n-]c(C(=O)NC[C@@H](c2ccsc2)N(CC)CC)cs1 ZINC000478451961 515828093 /nfs/dbraw/zinc/82/80/93/515828093.db2.gz CZIOBVVTUAZOIV-AWEZNQCLSA-N -1 3 352.529 3.449 20 0 FGADHM Cc1cc(C)cc(-c2cc(=NC(=O)C(=O)c3cnn(C(C)(C)C)c3)[nH][n-]2)c1 ZINC000512551166 516304246 /nfs/dbraw/zinc/30/42/46/516304246.db2.gz RGNQKFKXOBADOA-UHFFFAOYSA-N -1 3 365.437 3.466 20 0 FGADHM CCc1[n-][nH]c(=NC(=O)[C@H](NC(=O)c2ccccc2)c2ccccc2)c1C ZINC000497550127 516326114 /nfs/dbraw/zinc/32/61/14/516326114.db2.gz KNBDLXSIYYVXDG-GOSISDBHSA-N -1 3 362.433 3.390 20 0 FGADHM CCc1[n-][nH]c(=NC(=O)[C@@H](NC(=O)c2ccccc2)c2ccccc2)c1C ZINC000497550128 516326162 /nfs/dbraw/zinc/32/61/62/516326162.db2.gz KNBDLXSIYYVXDG-SFHVURJKSA-N -1 3 362.433 3.390 20 0 FGADHM O=C(N=c1ncn(C2CCCCC2)[n-]1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000543653968 516347511 /nfs/dbraw/zinc/34/75/11/516347511.db2.gz ULVXAOFPNIOMLU-QGZVFWFLSA-N -1 3 368.485 3.179 20 0 FGADHM C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)c2csc(=NC3CC3)[n-]2)C1 ZINC000532659374 517085617 /nfs/dbraw/zinc/08/56/17/517085617.db2.gz KPRRBMCBQMBCGM-BBRMVZONSA-N -1 3 356.495 3.283 20 0 FGADHM O=C(N=c1ccc(C2CC2)n[n-]1)NCC1CCN(Cc2cccs2)CC1 ZINC000532986102 517237970 /nfs/dbraw/zinc/23/79/70/517237970.db2.gz XXOWFCYTXDIOAO-UHFFFAOYSA-N -1 3 371.510 3.449 20 0 FGADHM Cc1nc(C(=O)N=c2[nH][n-]c(C)c2-c2ccc3c(c2)OCCO3)c(C)s1 ZINC000533110949 517299656 /nfs/dbraw/zinc/29/96/56/517299656.db2.gz HNWZZMAVOJOJOX-UHFFFAOYSA-N -1 3 370.434 3.482 20 0 FGADHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)C(=O)Nc1cccc(Cl)c1Cl ZINC000526939530 517398106 /nfs/dbraw/zinc/39/81/06/517398106.db2.gz SZUWPVNEZSMSCV-NSHDSACASA-N -1 3 369.208 3.145 20 0 FGADHM CN1CCC[C@H](CNC(=O)N=c2[n-]nc(-c3cc4ccccc4o3)s2)C1 ZINC000527060007 517480871 /nfs/dbraw/zinc/48/08/71/517480871.db2.gz BLRMSEKSIWSJPB-GFCCVEGCSA-N -1 3 371.466 3.415 20 0 FGADHM CCc1c(C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)cnn1Cc1ccccc1 ZINC000527208589 517562522 /nfs/dbraw/zinc/56/25/22/517562522.db2.gz RYCMHQXVRCGVPV-SFHVURJKSA-N -1 3 365.437 3.321 20 0 FGADHM O=C(N=c1cc2ccccn2[n-]1)N1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000516827189 517860511 /nfs/dbraw/zinc/86/05/11/517860511.db2.gz UKEUAKHDPDUAAG-NRFANRHFSA-N -1 3 364.449 3.183 20 0 FGADHM CN(C)[C@@H]1CCOc2c(NC(=O)c3csc(=NC4CC4)[n-]3)cccc21 ZINC000516950431 517934004 /nfs/dbraw/zinc/93/40/04/517934004.db2.gz RTGGYBRRBXOCRT-OAHLLOKOSA-N -1 3 358.467 3.355 20 0 FGADHM CCN(CC)CCN(Cc1ccccc1)C(=O)N=c1ncn(C(C)(C)C)[n-]1 ZINC000543365105 518048901 /nfs/dbraw/zinc/04/89/01/518048901.db2.gz QVZCZKUEHRBRRO-UHFFFAOYSA-N -1 3 372.517 3.409 20 0 FGADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)[C@H](C)c2cnn(C)c2)[nH][n-]1 ZINC000530938696 518059131 /nfs/dbraw/zinc/05/91/31/518059131.db2.gz MFOGMXKONXMSHO-SNVBAGLBSA-N -1 3 359.817 3.214 20 0 FGADHM CC[C@@H](c1n[n-]c(=NC(=O)NC[C@@H]2CCCN2C)s1)c1ccccc1 ZINC000517379931 518133834 /nfs/dbraw/zinc/13/38/34/518133834.db2.gz NHMHYPJZQWZDRZ-LSDHHAIUSA-N -1 3 359.499 3.296 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@@H]2CC(=O)N(CC(C)C)C2)c1-c1cccc(Cl)c1 ZINC000608469583 519992485 /nfs/dbraw/zinc/99/24/85/519992485.db2.gz SRORCUSFWPTKBR-CQSZACIVSA-N -1 3 374.872 3.482 20 0 FGADHM CSCc1cccc(CNC(=O)N=c2[n-]n(C)cc2Br)c1 ZINC000603042893 520043124 /nfs/dbraw/zinc/04/31/24/520043124.db2.gz IVVXWGBVZDXONL-UHFFFAOYSA-N -1 3 369.288 3.367 20 0 FGADHM CCN=c1[n-]c(C(=O)N[C@](C)(CO)c2cccc(C(F)(F)F)c2)cs1 ZINC000616811371 520157433 /nfs/dbraw/zinc/15/74/33/520157433.db2.gz OUVNJTOOCCILEN-OAHLLOKOSA-N -1 3 373.400 3.231 20 0 FGADHM Cc1cc(C(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)c(C)n1C1CCOCC1 ZINC000616825162 520165125 /nfs/dbraw/zinc/16/51/25/520165125.db2.gz UQPGIHFNKRZZBB-QGZVFWFLSA-N -1 3 358.442 3.283 20 0 FGADHM Cc1cc(C)c(-c2cc(=NC(=O)C3C[C@@H]4COC[C@H](C3)C4=O)[nH][n-]2)cc1C ZINC000606931167 521207466 /nfs/dbraw/zinc/20/74/66/521207466.db2.gz ZXDYOTHTGKLJHR-MQVJKMGUSA-N -1 3 367.449 3.182 20 0 FGADHM CCc1ccc([C@H](CNC(=O)c2csc(=NC3CC3)[n-]2)N(C)C)cc1 ZINC000607053010 521247335 /nfs/dbraw/zinc/24/73/35/521247335.db2.gz XUHQAGWBJOSFLP-KRWDZBQOSA-N -1 3 358.511 3.313 20 0 FGADHM CN(Cc1ccccc1)[C@H]1CCN(C(=O)N=c2[n-]nc(C3CC3)s2)C1 ZINC000608263370 521641552 /nfs/dbraw/zinc/64/15/52/521641552.db2.gz LTTGYIACEHLPEP-HNNXBMFYSA-N -1 3 357.483 3.154 20 0 FGADHM COc1cccc(-c2c(C)[n-][nH]c2=NC(=O)c2cc(C3CC3)n(C)n2)c1 ZINC000629693382 522397236 /nfs/dbraw/zinc/39/72/36/522397236.db2.gz GNFMXAYDCNADLZ-UHFFFAOYSA-N -1 3 351.410 3.257 20 0 FGADHM COCC1(CNC(=O)N=c2cc3ccc(Br)cn3[n-]2)CCC1 ZINC000482041302 561247720 /nfs/dbraw/zinc/24/77/20/561247720.db2.gz ADYUMNZRAPSZMU-UHFFFAOYSA-N -1 3 367.247 3.035 20 0 FGADHM Cc1ccccc1C1(C(=O)N=c2cc(OC(F)F)n(C)[n-]2)CCOCC1 ZINC000491078833 561442698 /nfs/dbraw/zinc/44/26/98/561442698.db2.gz INZZVEFMKQFPIR-UHFFFAOYSA-N -1 3 365.380 3.017 20 0 FGADHM C[C@@H](Cc1cnc2ccccc2n1)C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000515774552 562021646 /nfs/dbraw/zinc/02/16/46/562021646.db2.gz QLKJUFLPHFZHBF-YVEFUNNKSA-N -1 3 351.410 3.022 20 0 FGADHM CC(C)(C)c1nnc2ccc(C(=O)N=c3cc(-c4ccncc4)[n-][nH]3)cn21 ZINC000470580981 560984989 /nfs/dbraw/zinc/98/49/89/560984989.db2.gz DZLWHYBAYGBSSP-UHFFFAOYSA-N -1 3 361.409 3.064 20 0 FGADHM CC(C)Oc1ccc(=NC(=O)NC2CCN(Cc3ccccc3)CC2)[n-]n1 ZINC000476350928 561117390 /nfs/dbraw/zinc/11/73/90/561117390.db2.gz RDDZXFVDNBVXGW-UHFFFAOYSA-N -1 3 369.469 3.050 20 0 FGADHM CN(C)CCN(Cc1cccc(F)c1)C(=O)c1csc(=NC2CC2)[n-]1 ZINC000476875304 561130904 /nfs/dbraw/zinc/13/09/04/561130904.db2.gz VGKQGQIBGJYDOF-UHFFFAOYSA-N -1 3 362.474 3.061 20 0 FGADHM O=C(OCCF)c1ccccc1SCc1ccc(-c2nnn[n-]2)cc1 ZINC000738221510 598824076 /nfs/dbraw/zinc/82/40/76/598824076.db2.gz KFJVLVVEXDORIT-UHFFFAOYSA-N -1 3 358.398 3.285 20 0 FGADHM O=C(OCCF)c1ccccc1SCc1ccc(-c2nn[n-]n2)cc1 ZINC000738221510 598824077 /nfs/dbraw/zinc/82/40/77/598824077.db2.gz KFJVLVVEXDORIT-UHFFFAOYSA-N -1 3 358.398 3.285 20 0 FGADHM Cc1ccc(C[C@@H]2CCCN2C(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000737335726 598824968 /nfs/dbraw/zinc/82/49/68/598824968.db2.gz VYLVMNSTKLATEP-HSNDNRACSA-N -1 3 373.460 3.422 20 0 FGADHM Cc1ccc(C[C@@H]2CCCN2C(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000737335726 598824971 /nfs/dbraw/zinc/82/49/71/598824971.db2.gz VYLVMNSTKLATEP-HSNDNRACSA-N -1 3 373.460 3.422 20 0 FGADHM CC(C)[C@@H](Cc1ccccc1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000735707342 598831786 /nfs/dbraw/zinc/83/17/86/598831786.db2.gz CBYCUAJUWBDFTH-OAHLLOKOSA-N -1 3 353.401 3.459 20 0 FGADHM CC(C)[C@@H](Cc1ccccc1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000735707342 598831788 /nfs/dbraw/zinc/83/17/88/598831788.db2.gz CBYCUAJUWBDFTH-OAHLLOKOSA-N -1 3 353.401 3.459 20 0 FGADHM CC(C)c1cnc(CN2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)o1 ZINC000735933434 598831859 /nfs/dbraw/zinc/83/18/59/598831859.db2.gz WMSABHIYGLUSBS-UHFFFAOYSA-N -1 3 368.441 3.022 20 0 FGADHM CC(C)c1cnc(CN2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)o1 ZINC000735933434 598831861 /nfs/dbraw/zinc/83/18/61/598831861.db2.gz WMSABHIYGLUSBS-UHFFFAOYSA-N -1 3 368.441 3.022 20 0 FGADHM CN(CCc1ccc(Cl)cc1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000736804875 598839026 /nfs/dbraw/zinc/83/90/26/598839026.db2.gz ZLGAXGSUAUQIFK-UHFFFAOYSA-N -1 3 356.817 3.227 20 0 FGADHM CN(CCc1ccc(Cl)cc1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000736804875 598839028 /nfs/dbraw/zinc/83/90/28/598839028.db2.gz ZLGAXGSUAUQIFK-UHFFFAOYSA-N -1 3 356.817 3.227 20 0 FGADHM O=C(NCCc1ccc(F)cc1Cl)Nc1cccc(-c2nnn[n-]2)c1 ZINC000738088057 598839265 /nfs/dbraw/zinc/83/92/65/598839265.db2.gz OJIHUDONDHNLLS-UHFFFAOYSA-N -1 3 360.780 3.023 20 0 FGADHM O=C(NCCc1ccc(F)cc1Cl)Nc1cccc(-c2nn[n-]n2)c1 ZINC000738088057 598839267 /nfs/dbraw/zinc/83/92/67/598839267.db2.gz OJIHUDONDHNLLS-UHFFFAOYSA-N -1 3 360.780 3.023 20 0 FGADHM Cc1ccc(NC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)cc1 ZINC000737361064 598852627 /nfs/dbraw/zinc/85/26/27/598852627.db2.gz RJTUYXDOASTERO-UHFFFAOYSA-N -1 3 360.324 3.421 20 0 FGADHM Cc1ccc(NC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)cc1 ZINC000737361064 598852629 /nfs/dbraw/zinc/85/26/29/598852629.db2.gz RJTUYXDOASTERO-UHFFFAOYSA-N -1 3 360.324 3.421 20 0 FGADHM C[C@@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)c1cc2ccccc2o1 ZINC000736039245 598883074 /nfs/dbraw/zinc/88/30/74/598883074.db2.gz HUGRZUWOJGJOKJ-LBPRGKRZSA-N -1 3 364.361 3.237 20 0 FGADHM C[C@@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)c1cc2ccccc2o1 ZINC000736039245 598883075 /nfs/dbraw/zinc/88/30/75/598883075.db2.gz HUGRZUWOJGJOKJ-LBPRGKRZSA-N -1 3 364.361 3.237 20 0 FGADHM COC(=O)[C@@H](N[C@@H](C)CCC1CCCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736892607 598885887 /nfs/dbraw/zinc/88/58/87/598885887.db2.gz ATVHAAGXFDLQFW-KSSFIOAISA-N -1 3 371.485 3.419 20 0 FGADHM COC(=O)[C@@H](N[C@@H](C)CCC1CCCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736892607 598885888 /nfs/dbraw/zinc/88/58/88/598885888.db2.gz ATVHAAGXFDLQFW-KSSFIOAISA-N -1 3 371.485 3.419 20 0 FGADHM Cc1ccc(C)c(CC(=O)O[C@@H](C)COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737320993 598888767 /nfs/dbraw/zinc/88/87/67/598888767.db2.gz AMJKIYLARXQIQH-HNNXBMFYSA-N -1 3 366.421 3.037 20 0 FGADHM Cc1ccc(C)c(CC(=O)O[C@@H](C)COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737320993 598888770 /nfs/dbraw/zinc/88/87/70/598888770.db2.gz AMJKIYLARXQIQH-HNNXBMFYSA-N -1 3 366.421 3.037 20 0 FGADHM C[C@@H](NC(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1)C1CC1 ZINC000736119116 598888260 /nfs/dbraw/zinc/88/82/60/598888260.db2.gz QHDMFGWZXZWKRR-LLVKDONJSA-N -1 3 368.466 3.193 20 0 FGADHM Cc1ccc(CC(=O)O[C@H](C)COc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000737334333 598888632 /nfs/dbraw/zinc/88/86/32/598888632.db2.gz FRMGWSDUKXBJJF-OAHLLOKOSA-N -1 3 366.421 3.037 20 0 FGADHM Cc1ccc(CC(=O)O[C@H](C)COc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000737334333 598888635 /nfs/dbraw/zinc/88/86/35/598888635.db2.gz FRMGWSDUKXBJJF-OAHLLOKOSA-N -1 3 366.421 3.037 20 0 FGADHM CN(CC1CC1)C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000736794412 598890994 /nfs/dbraw/zinc/89/09/94/598890994.db2.gz SFUQRYIUKNKCDY-UHFFFAOYSA-N -1 3 368.466 3.147 20 0 FGADHM CS[C@@H](C(=O)OCc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000737169719 598902016 /nfs/dbraw/zinc/90/20/16/598902016.db2.gz DRVVWRWJVRCQOS-OAHLLOKOSA-N -1 3 358.398 3.153 20 0 FGADHM CS[C@@H](C(=O)OCc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000737169719 598902018 /nfs/dbraw/zinc/90/20/18/598902018.db2.gz DRVVWRWJVRCQOS-OAHLLOKOSA-N -1 3 358.398 3.153 20 0 FGADHM Cc1cc(OC(F)F)c(C(=O)Nc2ccccc2-c2nnn[n-]2)s1 ZINC000737278229 598902132 /nfs/dbraw/zinc/90/21/32/598902132.db2.gz GSXRFTGNNSVWAE-UHFFFAOYSA-N -1 3 351.338 3.090 20 0 FGADHM Cc1cc(OC(F)F)c(C(=O)Nc2ccccc2-c2nn[n-]n2)s1 ZINC000737278229 598902134 /nfs/dbraw/zinc/90/21/34/598902134.db2.gz GSXRFTGNNSVWAE-UHFFFAOYSA-N -1 3 351.338 3.090 20 0 FGADHM CN(C(=O)CCc1ccc(-c2nnn[n-]2)cc1)c1ccc2ccccc2n1 ZINC000736733898 598912798 /nfs/dbraw/zinc/91/27/98/598912798.db2.gz ZKUIRDUGDQMLKJ-UHFFFAOYSA-N -1 3 358.405 3.011 20 0 FGADHM CN(C(=O)CCc1ccc(-c2nn[n-]n2)cc1)c1ccc2ccccc2n1 ZINC000736733898 598912800 /nfs/dbraw/zinc/91/28/00/598912800.db2.gz ZKUIRDUGDQMLKJ-UHFFFAOYSA-N -1 3 358.405 3.011 20 0 FGADHM C[C@H](NC(=O)NCC[C@H]1CCCC[C@H]1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736118897 598919982 /nfs/dbraw/zinc/91/99/82/598919982.db2.gz PTSLQWYNQDBDLT-QLFBSQMISA-N -1 3 356.474 3.443 20 0 FGADHM C[C@H](NC(=O)NCC[C@H]1CCCC[C@H]1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736118897 598919984 /nfs/dbraw/zinc/91/99/84/598919984.db2.gz PTSLQWYNQDBDLT-QLFBSQMISA-N -1 3 356.474 3.443 20 0 FGADHM CCC[C@H](C)NC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000736424714 598926050 /nfs/dbraw/zinc/92/60/50/598926050.db2.gz RRJSFLKEUDQQPG-AWEZNQCLSA-N -1 3 365.437 3.364 20 0 FGADHM CCC[C@H](C)NC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000736424714 598926051 /nfs/dbraw/zinc/92/60/51/598926051.db2.gz RRJSFLKEUDQQPG-AWEZNQCLSA-N -1 3 365.437 3.364 20 0 FGADHM C[C@@H](c1cc(F)ccc1F)N(C)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000736199375 598937912 /nfs/dbraw/zinc/93/79/12/598937912.db2.gz XRCQKSQILFHXEN-QMMMGPOBSA-N -1 3 350.760 3.391 20 0 FGADHM C[C@@H](c1cc(F)ccc1F)N(C)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000736199375 598937913 /nfs/dbraw/zinc/93/79/13/598937913.db2.gz XRCQKSQILFHXEN-QMMMGPOBSA-N -1 3 350.760 3.391 20 0 FGADHM CC[C@@H]1CCC[C@H](NC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736396627 598942222 /nfs/dbraw/zinc/94/22/22/598942222.db2.gz OBJAXSVFSAEQRI-CJNGLKHVSA-N -1 3 359.499 3.185 20 0 FGADHM CC[C@@H]1CCC[C@H](NC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736396627 598942224 /nfs/dbraw/zinc/94/22/24/598942224.db2.gz OBJAXSVFSAEQRI-CJNGLKHVSA-N -1 3 359.499 3.185 20 0 FGADHM C[C@H](NC(=O)Nc1cccc(-c2nnn[n-]2)c1)c1nc2ccccc2s1 ZINC000736117519 598962723 /nfs/dbraw/zinc/96/27/23/598962723.db2.gz PUJWYNLDDWEXBO-JTQLQIEISA-N -1 3 365.422 3.359 20 0 FGADHM C[C@H](NC(=O)Nc1cccc(-c2nn[n-]n2)c1)c1nc2ccccc2s1 ZINC000736117519 598962724 /nfs/dbraw/zinc/96/27/24/598962724.db2.gz PUJWYNLDDWEXBO-JTQLQIEISA-N -1 3 365.422 3.359 20 0 FGADHM Cc1c(CNC(=O)CCc2ccc(-c3nnn[n-]3)cc2)oc2ccccc12 ZINC000737210347 599007582 /nfs/dbraw/zinc/00/75/82/599007582.db2.gz DFRPMKBRPLQKHM-UHFFFAOYSA-N -1 3 361.405 3.170 20 0 FGADHM Cc1c(CNC(=O)CCc2ccc(-c3nn[n-]n3)cc2)oc2ccccc12 ZINC000737210347 599007584 /nfs/dbraw/zinc/00/75/84/599007584.db2.gz DFRPMKBRPLQKHM-UHFFFAOYSA-N -1 3 361.405 3.170 20 0 FGADHM CC(C)c1ccc(CS[C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735929434 599012871 /nfs/dbraw/zinc/01/28/71/599012871.db2.gz ZALHTCNSFITBQY-QGZVFWFLSA-N -1 3 367.478 3.450 20 0 FGADHM CC(C)c1ccc(CS[C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735929434 599012872 /nfs/dbraw/zinc/01/28/72/599012872.db2.gz ZALHTCNSFITBQY-QGZVFWFLSA-N -1 3 367.478 3.450 20 0 FGADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(N[C@@H]2CCc3ccccc3C2)n1 ZINC000737631681 599040386 /nfs/dbraw/zinc/04/03/86/599040386.db2.gz HNSQVTSEMWUTOJ-GFCCVEGCSA-N -1 3 360.343 3.250 20 0 FGADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(N[C@@H]2CCc3ccccc3C2)n1 ZINC000737631681 599040389 /nfs/dbraw/zinc/04/03/89/599040389.db2.gz HNSQVTSEMWUTOJ-GFCCVEGCSA-N -1 3 360.343 3.250 20 0 FGADHM O[C@H](CNc1c(F)cc(-c2nn[n-]n2)cc1F)c1c(F)cccc1Cl ZINC000738381922 599045008 /nfs/dbraw/zinc/04/50/08/599045008.db2.gz IZBIWOCASFBFQH-GFCCVEGCSA-N -1 3 369.734 3.083 20 0 FGADHM O[C@H](CNc1c(F)cc(-c2nnn[n-]2)cc1F)c1c(F)cccc1Cl ZINC000738381922 599045005 /nfs/dbraw/zinc/04/50/05/599045005.db2.gz IZBIWOCASFBFQH-GFCCVEGCSA-N -1 3 369.734 3.083 20 0 FGADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(N2CCC[C@H]2C2CCCC2)n1 ZINC000737633262 599048052 /nfs/dbraw/zinc/04/80/52/599048052.db2.gz PPGCDPURLNLJGV-LBPRGKRZSA-N -1 3 352.364 3.440 20 0 FGADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(N2CCC[C@H]2C2CCCC2)n1 ZINC000737633262 599048054 /nfs/dbraw/zinc/04/80/54/599048054.db2.gz PPGCDPURLNLJGV-LBPRGKRZSA-N -1 3 352.364 3.440 20 0 FGADHM CCOc1ccc(CNc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)cc1 ZINC000736644006 599048950 /nfs/dbraw/zinc/04/89/50/599048950.db2.gz DHUZNNBBPAVEJV-UHFFFAOYSA-N -1 3 364.331 3.291 20 0 FGADHM CCOc1ccc(CNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)cc1 ZINC000736644006 599048953 /nfs/dbraw/zinc/04/89/53/599048953.db2.gz DHUZNNBBPAVEJV-UHFFFAOYSA-N -1 3 364.331 3.291 20 0 FGADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(NCc2ccc3ccccc3n2)n1 ZINC000737635498 599049557 /nfs/dbraw/zinc/04/95/57/599049557.db2.gz IBIVXFHVLBFFGG-UHFFFAOYSA-N -1 3 371.326 3.441 20 0 FGADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(NCc2ccc3ccccc3n2)n1 ZINC000737635498 599049560 /nfs/dbraw/zinc/04/95/60/599049560.db2.gz IBIVXFHVLBFFGG-UHFFFAOYSA-N -1 3 371.326 3.441 20 0 FGADHM Cc1cccc([C@H](C)CNC(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737390373 599053086 /nfs/dbraw/zinc/05/30/86/599053086.db2.gz SRFOURJQCIUPKU-CABCVRRESA-N -1 3 364.453 3.339 20 0 FGADHM Cc1cccc([C@H](C)CNC(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737390373 599053089 /nfs/dbraw/zinc/05/30/89/599053089.db2.gz SRFOURJQCIUPKU-CABCVRRESA-N -1 3 364.453 3.339 20 0 FGADHM Cc1nc([C@@H](C)Nc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)cs1 ZINC000737470708 599057288 /nfs/dbraw/zinc/05/72/88/599057288.db2.gz KUMPYVPARWZSIY-ZCFIWIBFSA-N -1 3 355.349 3.219 20 0 FGADHM Cc1nc([C@@H](C)Nc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)cs1 ZINC000737470708 599057291 /nfs/dbraw/zinc/05/72/91/599057291.db2.gz KUMPYVPARWZSIY-ZCFIWIBFSA-N -1 3 355.349 3.219 20 0 FGADHM Cc1nc(C)c(CCNc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)s1 ZINC000737474616 599057345 /nfs/dbraw/zinc/05/73/45/599057345.db2.gz UQCAYVHJCGXAHH-UHFFFAOYSA-N -1 3 369.376 3.008 20 0 FGADHM Cc1nc(C)c(CCNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)s1 ZINC000737474616 599057348 /nfs/dbraw/zinc/05/73/48/599057348.db2.gz UQCAYVHJCGXAHH-UHFFFAOYSA-N -1 3 369.376 3.008 20 0 FGADHM Cc1ccc(N2CCC[C@H](Nc3ncc(-c4nnn[n-]4)cc3Cl)C2)cc1 ZINC000822242262 599064837 /nfs/dbraw/zinc/06/48/37/599064837.db2.gz GCYLBWMBCAMHDV-AWEZNQCLSA-N -1 3 369.860 3.304 20 0 FGADHM Cc1ccc(N2CCC[C@H](Nc3ncc(-c4nn[n-]n4)cc3Cl)C2)cc1 ZINC000822242262 599064840 /nfs/dbraw/zinc/06/48/40/599064840.db2.gz GCYLBWMBCAMHDV-AWEZNQCLSA-N -1 3 369.860 3.304 20 0 FGADHM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)N[C@H]1C[C@@H]1C1CCCCC1 ZINC000737931584 599096276 /nfs/dbraw/zinc/09/62/76/599096276.db2.gz IBOWPFGMGDXCMR-SJORKVTESA-N -1 3 371.510 3.185 20 0 FGADHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)N[C@H]1C[C@@H]1C1CCCCC1 ZINC000737931584 599096277 /nfs/dbraw/zinc/09/62/77/599096277.db2.gz IBOWPFGMGDXCMR-SJORKVTESA-N -1 3 371.510 3.185 20 0 FGADHM C[C@H]1CCC[C@@H](CCNC(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000736253764 599106245 /nfs/dbraw/zinc/10/62/45/599106245.db2.gz WCYSUJNFVPPBOP-GJZGRUSLSA-N -1 3 356.474 3.225 20 0 FGADHM C[C@H]1CCC[C@@H](CCNC(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000736253764 599106247 /nfs/dbraw/zinc/10/62/47/599106247.db2.gz WCYSUJNFVPPBOP-GJZGRUSLSA-N -1 3 356.474 3.225 20 0 FGADHM Cc1ccc([C@@H]2OCCC[C@@H]2CNc2ncccc2-c2nnn[n-]2)cc1 ZINC000822233430 599108537 /nfs/dbraw/zinc/10/85/37/599108537.db2.gz ORMVLKKOAKMLEQ-WBVHZDCISA-N -1 3 350.426 3.150 20 0 FGADHM Cc1ccc([C@@H]2OCCC[C@@H]2CNc2ncccc2-c2nn[n-]n2)cc1 ZINC000822233430 599108539 /nfs/dbraw/zinc/10/85/39/599108539.db2.gz ORMVLKKOAKMLEQ-WBVHZDCISA-N -1 3 350.426 3.150 20 0 FGADHM C[C@H](Sc1ccccc1-c1nnn[n-]1)C(=O)N(C)Cc1ccccc1 ZINC000736194280 599111270 /nfs/dbraw/zinc/11/12/70/599111270.db2.gz YZRGPQJCOTXLMO-ZDUSSCGKSA-N -1 3 353.451 3.006 20 0 FGADHM C[C@H](Sc1ccccc1-c1nn[n-]n1)C(=O)N(C)Cc1ccccc1 ZINC000736194280 599111271 /nfs/dbraw/zinc/11/12/71/599111271.db2.gz YZRGPQJCOTXLMO-ZDUSSCGKSA-N -1 3 353.451 3.006 20 0 FGADHM COC(=O)[C@@H](Sc1nc2ccccc2o1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736902994 599112118 /nfs/dbraw/zinc/11/21/18/599112118.db2.gz XGAWYNZWJUOXKO-AWEZNQCLSA-N -1 3 367.390 3.014 20 0 FGADHM COC(=O)[C@@H](Sc1nc2ccccc2o1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736902994 599112119 /nfs/dbraw/zinc/11/21/19/599112119.db2.gz XGAWYNZWJUOXKO-AWEZNQCLSA-N -1 3 367.390 3.014 20 0 FGADHM C[C@H]1CCN(C)c2ccccc2N1C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000736276725 599112787 /nfs/dbraw/zinc/11/27/87/599112787.db2.gz OTFIQKIXJCUMQB-SSCKCOOKSA-N -1 3 374.448 3.142 20 0 FGADHM C[C@H]1CCN(C)c2ccccc2N1C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000736276725 599112789 /nfs/dbraw/zinc/11/27/89/599112789.db2.gz OTFIQKIXJCUMQB-SSCKCOOKSA-N -1 3 374.448 3.142 20 0 FGADHM FC(F)(F)COc1ccccc1COc1cccc(-c2nnn[n-]2)c1 ZINC000822718899 599121699 /nfs/dbraw/zinc/12/16/99/599121699.db2.gz TVVYJBNNYLIETK-UHFFFAOYSA-N -1 3 350.300 3.387 20 0 FGADHM FC(F)(F)COc1ccccc1COc1cccc(-c2nn[n-]n2)c1 ZINC000822718899 599121702 /nfs/dbraw/zinc/12/17/02/599121702.db2.gz TVVYJBNNYLIETK-UHFFFAOYSA-N -1 3 350.300 3.387 20 0 FGADHM COC(=O)[C@@H](Sc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1F ZINC000821649744 599127402 /nfs/dbraw/zinc/12/74/02/599127402.db2.gz CPWQYAGOOSATCZ-AWEZNQCLSA-N -1 3 362.361 3.151 20 0 FGADHM COC(=O)[C@@H](Sc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1F ZINC000821649744 599127405 /nfs/dbraw/zinc/12/74/05/599127405.db2.gz CPWQYAGOOSATCZ-AWEZNQCLSA-N -1 3 362.361 3.151 20 0 FGADHM CC(C)(C(=O)OCc1cn2ccccc2c1-c1nnn[n-]1)c1cccs1 ZINC000735582945 599129212 /nfs/dbraw/zinc/12/92/12/599129212.db2.gz OYMLUJQSDBVKEM-UHFFFAOYSA-N -1 3 367.434 3.202 20 0 FGADHM CC(C)(C(=O)OCc1cn2ccccc2c1-c1nn[n-]n1)c1cccs1 ZINC000735582945 599129216 /nfs/dbraw/zinc/12/92/16/599129216.db2.gz OYMLUJQSDBVKEM-UHFFFAOYSA-N -1 3 367.434 3.202 20 0 FGADHM C[C@@H](CCc1ccccc1F)C(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820252749 599139408 /nfs/dbraw/zinc/13/94/08/599139408.db2.gz CYQIHEHXEYWEFT-AWEZNQCLSA-N -1 3 367.428 3.233 20 0 FGADHM C[C@@H](CCc1ccccc1F)C(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820252749 599139409 /nfs/dbraw/zinc/13/94/09/599139409.db2.gz CYQIHEHXEYWEFT-AWEZNQCLSA-N -1 3 367.428 3.233 20 0 FGADHM O=C(/C=C\C1CC1)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822922060 599151736 /nfs/dbraw/zinc/15/17/36/599151736.db2.gz CHLDJEGMNFTITI-WDZFZDKYSA-N -1 3 361.405 3.350 20 0 FGADHM O=C(/C=C\C1CC1)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822922060 599151738 /nfs/dbraw/zinc/15/17/38/599151738.db2.gz CHLDJEGMNFTITI-WDZFZDKYSA-N -1 3 361.405 3.350 20 0 FGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N1CCCC[C@H]1c1ccco1 ZINC000737943165 599165676 /nfs/dbraw/zinc/16/56/76/599165676.db2.gz PVNFQOAHNIWIFP-HNNXBMFYSA-N -1 3 369.450 3.306 20 0 FGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N1CCCC[C@H]1c1ccco1 ZINC000737943165 599165678 /nfs/dbraw/zinc/16/56/78/599165678.db2.gz PVNFQOAHNIWIFP-HNNXBMFYSA-N -1 3 369.450 3.306 20 0 FGADHM CC[C@H](Cc1ccc(Cl)cc1)NC(=O)c1sccc1-c1nnn[n-]1 ZINC000736355088 599166549 /nfs/dbraw/zinc/16/65/49/599166549.db2.gz XLVVFQRCNLFBLF-GFCCVEGCSA-N -1 3 361.858 3.333 20 0 FGADHM CC[C@H](Cc1ccc(Cl)cc1)NC(=O)c1sccc1-c1nn[n-]n1 ZINC000736355088 599166551 /nfs/dbraw/zinc/16/65/51/599166551.db2.gz XLVVFQRCNLFBLF-GFCCVEGCSA-N -1 3 361.858 3.333 20 0 FGADHM C[C@@H]1Cc2ccccc2N1C(=O)CSc1ccc(-c2nnn[n-]2)cc1F ZINC000736296930 599166901 /nfs/dbraw/zinc/16/69/01/599166901.db2.gz KVONMOMAWJDWTR-LLVKDONJSA-N -1 3 369.425 3.076 20 0 FGADHM C[C@@H]1Cc2ccccc2N1C(=O)CSc1ccc(-c2nn[n-]n2)cc1F ZINC000736296930 599166903 /nfs/dbraw/zinc/16/69/03/599166903.db2.gz KVONMOMAWJDWTR-LLVKDONJSA-N -1 3 369.425 3.076 20 0 FGADHM C[C@H]1Cc2ccccc2N1C(=O)CSc1ccc(-c2nnn[n-]2)cc1F ZINC000736296931 599166957 /nfs/dbraw/zinc/16/69/57/599166957.db2.gz KVONMOMAWJDWTR-NSHDSACASA-N -1 3 369.425 3.076 20 0 FGADHM C[C@H]1Cc2ccccc2N1C(=O)CSc1ccc(-c2nn[n-]n2)cc1F ZINC000736296931 599166959 /nfs/dbraw/zinc/16/69/59/599166959.db2.gz KVONMOMAWJDWTR-NSHDSACASA-N -1 3 369.425 3.076 20 0 FGADHM Fc1cccc(N2CCC[C@@H](Nc3cccc(F)c3-c3nnn[n-]3)C2)c1 ZINC000737660366 599172053 /nfs/dbraw/zinc/17/20/53/599172053.db2.gz IYEAIQQNCLPKKT-CYBMUJFWSA-N -1 3 356.380 3.226 20 0 FGADHM Fc1cccc(N2CCC[C@@H](Nc3cccc(F)c3-c3nn[n-]n3)C2)c1 ZINC000737660366 599172056 /nfs/dbraw/zinc/17/20/56/599172056.db2.gz IYEAIQQNCLPKKT-CYBMUJFWSA-N -1 3 356.380 3.226 20 0 FGADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)C1(c2cccc(Cl)c2)CC1 ZINC000823235559 599174311 /nfs/dbraw/zinc/17/43/11/599174311.db2.gz XBLGJRCWBFYHEQ-UHFFFAOYSA-N -1 3 371.803 3.007 20 0 FGADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)C1(c2cccc(Cl)c2)CC1 ZINC000823235559 599174312 /nfs/dbraw/zinc/17/43/12/599174312.db2.gz XBLGJRCWBFYHEQ-UHFFFAOYSA-N -1 3 371.803 3.007 20 0 FGADHM CC(C)(C)c1ccc(C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000819958770 599175728 /nfs/dbraw/zinc/17/57/28/599175728.db2.gz PWELZYOBNAXFLT-UHFFFAOYSA-N -1 3 353.401 3.233 20 0 FGADHM CC(C)(C)c1ccc(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000819958770 599175729 /nfs/dbraw/zinc/17/57/29/599175729.db2.gz PWELZYOBNAXFLT-UHFFFAOYSA-N -1 3 353.401 3.233 20 0 FGADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCC2)[C@H]1Cc2ccccc21 ZINC000738211596 599179024 /nfs/dbraw/zinc/17/90/24/599179024.db2.gz SHXJKCBRNPDSOA-ZDUSSCGKSA-N -1 3 351.435 3.085 20 0 FGADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCC2)[C@H]1Cc2ccccc21 ZINC000738211596 599179026 /nfs/dbraw/zinc/17/90/26/599179026.db2.gz SHXJKCBRNPDSOA-ZDUSSCGKSA-N -1 3 351.435 3.085 20 0 FGADHM C[C@@H](CC(=O)OCc1ccc(-c2nnn[n-]2)cc1F)c1cccc(F)c1 ZINC000735977486 599184579 /nfs/dbraw/zinc/18/45/79/599184579.db2.gz PDVJXLLLSSYXJB-NSHDSACASA-N -1 3 358.348 3.382 20 0 FGADHM C[C@@H](CC(=O)OCc1ccc(-c2nn[n-]n2)cc1F)c1cccc(F)c1 ZINC000735977486 599184582 /nfs/dbraw/zinc/18/45/82/599184582.db2.gz PDVJXLLLSSYXJB-NSHDSACASA-N -1 3 358.348 3.382 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cnc2ccsc2c1 ZINC000736634606 599184671 /nfs/dbraw/zinc/18/46/71/599184671.db2.gz NNOHLRJHUSSCQD-UHFFFAOYSA-N -1 3 366.406 3.127 20 0 FGADHM C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000820664521 599190307 /nfs/dbraw/zinc/19/03/07/599190307.db2.gz BESNGYJCTLQVIO-PXAZEXFGSA-N -1 3 351.385 3.229 20 0 FGADHM C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000820664521 599190310 /nfs/dbraw/zinc/19/03/10/599190310.db2.gz BESNGYJCTLQVIO-PXAZEXFGSA-N -1 3 351.385 3.229 20 0 FGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N1CC[C@@H]1c1cccc(F)c1 ZINC000823066438 599205082 /nfs/dbraw/zinc/20/50/82/599205082.db2.gz ZGRQGDVZUMVGOA-MRXNPFEDSA-N -1 3 369.425 3.072 20 0 FGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N1CC[C@@H]1c1cccc(F)c1 ZINC000823066438 599205085 /nfs/dbraw/zinc/20/50/85/599205085.db2.gz ZGRQGDVZUMVGOA-MRXNPFEDSA-N -1 3 369.425 3.072 20 0 FGADHM COCCN(C(=O)[C@@H]1C[C@@H]1C1CCCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736988371 599205775 /nfs/dbraw/zinc/20/57/75/599205775.db2.gz LAZPOQXFVWEXMD-QZTJIDSGSA-N -1 3 369.469 3.063 20 0 FGADHM COCCN(C(=O)[C@@H]1C[C@@H]1C1CCCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736988371 599205776 /nfs/dbraw/zinc/20/57/76/599205776.db2.gz LAZPOQXFVWEXMD-QZTJIDSGSA-N -1 3 369.469 3.063 20 0 FGADHM COCCN(C(=O)C[C@H]1CCCC[C@@H]1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736989534 599206805 /nfs/dbraw/zinc/20/68/05/599206805.db2.gz VLYBGBNUWOWQBS-GOEBONIOSA-N -1 3 357.458 3.063 20 0 FGADHM COCCN(C(=O)C[C@H]1CCCC[C@@H]1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736989534 599206806 /nfs/dbraw/zinc/20/68/06/599206806.db2.gz VLYBGBNUWOWQBS-GOEBONIOSA-N -1 3 357.458 3.063 20 0 FGADHM CC(C)n1ccc(CSCCCOc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000735964603 599209878 /nfs/dbraw/zinc/20/98/78/599209878.db2.gz AJZUOXYPQWLDJB-UHFFFAOYSA-N -1 3 358.471 3.346 20 0 FGADHM C[C@H](CNC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccc(F)cc1F ZINC000820260502 599211823 /nfs/dbraw/zinc/21/18/23/599211823.db2.gz HMWOUMCHGWRQJL-UVMWJGKXSA-N -1 3 369.375 3.078 20 0 FGADHM C[C@H](CNC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC000820260502 599211826 /nfs/dbraw/zinc/21/18/26/599211826.db2.gz HMWOUMCHGWRQJL-UVMWJGKXSA-N -1 3 369.375 3.078 20 0 FGADHM CCC[C@@H](CC1CCCC1)C(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000736422710 599211861 /nfs/dbraw/zinc/21/18/61/599211861.db2.gz OETWHCOTRZUHBC-KRWDZBQOSA-N -1 3 371.485 3.358 20 0 FGADHM CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820020646 599215045 /nfs/dbraw/zinc/21/50/45/599215045.db2.gz JDXJMOKPSWIYGI-QGZVFWFLSA-N -1 3 353.401 3.003 20 0 FGADHM CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820020646 599215048 /nfs/dbraw/zinc/21/50/48/599215048.db2.gz JDXJMOKPSWIYGI-QGZVFWFLSA-N -1 3 353.401 3.003 20 0 FGADHM Cc1ccc(N2CCCC2)c(C(=O)OCc2ccccc2-c2nnn[n-]2)c1 ZINC000737351716 599216677 /nfs/dbraw/zinc/21/66/77/599216677.db2.gz NEHVFWVZXBGFOD-UHFFFAOYSA-N -1 3 363.421 3.132 20 0 FGADHM Cc1ccc(N2CCCC2)c(C(=O)OCc2ccccc2-c2nn[n-]n2)c1 ZINC000737351716 599216680 /nfs/dbraw/zinc/21/66/80/599216680.db2.gz NEHVFWVZXBGFOD-UHFFFAOYSA-N -1 3 363.421 3.132 20 0 FGADHM COC(C)(C)C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000821672144 599220612 /nfs/dbraw/zinc/22/06/12/599220612.db2.gz ABVZFSBXPRBJBZ-UHFFFAOYSA-N -1 3 371.372 3.162 20 0 FGADHM COC(C)(C)C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000821672144 599220615 /nfs/dbraw/zinc/22/06/15/599220615.db2.gz ABVZFSBXPRBJBZ-UHFFFAOYSA-N -1 3 371.372 3.162 20 0 FGADHM Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)c2sccc2-c2nnn[n-]2)o1 ZINC000822232761 599221837 /nfs/dbraw/zinc/22/18/37/599221837.db2.gz ALRUIPULYSCCHY-MFKMUULPSA-N -1 3 357.439 3.443 20 0 FGADHM Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)c2sccc2-c2nn[n-]n2)o1 ZINC000822232761 599221838 /nfs/dbraw/zinc/22/18/38/599221838.db2.gz ALRUIPULYSCCHY-MFKMUULPSA-N -1 3 357.439 3.443 20 0 FGADHM CC1(C)[C@@H]2CN(C(=O)c3ccccc3-c3ccccc3-c3nnn[n-]3)C[C@@H]21 ZINC000736208515 599222603 /nfs/dbraw/zinc/22/26/03/599222603.db2.gz XAAZGAYKXBSQEA-HDICACEKSA-N -1 3 359.433 3.262 20 0 FGADHM CC1(C)[C@@H]2CN(C(=O)c3ccccc3-c3ccccc3-c3nn[n-]n3)C[C@@H]21 ZINC000736208515 599222606 /nfs/dbraw/zinc/22/26/06/599222606.db2.gz XAAZGAYKXBSQEA-HDICACEKSA-N -1 3 359.433 3.262 20 0 FGADHM CC[C@H]1CN(C(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CCS1 ZINC000820995215 599230622 /nfs/dbraw/zinc/23/06/22/599230622.db2.gz OFIRSKKEERRRPY-JTQLQIEISA-N -1 3 368.919 3.044 20 0 FGADHM CC[C@H]1CN(C(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CCS1 ZINC000820995215 599230624 /nfs/dbraw/zinc/23/06/24/599230624.db2.gz OFIRSKKEERRRPY-JTQLQIEISA-N -1 3 368.919 3.044 20 0 FGADHM CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000736350480 599232869 /nfs/dbraw/zinc/23/28/69/599232869.db2.gz AUMWRTXAZNXOPZ-QGZVFWFLSA-N -1 3 364.453 3.054 20 0 FGADHM CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000736350480 599232872 /nfs/dbraw/zinc/23/28/72/599232872.db2.gz AUMWRTXAZNXOPZ-QGZVFWFLSA-N -1 3 364.453 3.054 20 0 FGADHM C[C@H](OC(=O)C=Cc1ccnc(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820488753 607263694 /nfs/dbraw/zinc/26/36/94/607263694.db2.gz TWVPOFDCKFCPQD-FOKSMMDQSA-N -1 3 355.785 3.233 20 0 FGADHM C[C@H](OC(=O)C=Cc1ccnc(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820488753 607263695 /nfs/dbraw/zinc/26/36/95/607263695.db2.gz TWVPOFDCKFCPQD-FOKSMMDQSA-N -1 3 355.785 3.233 20 0 FGADHM CN(CCOc1ccccc1)c1ccc(Br)cc1-c1nnn[n-]1 ZINC000736800798 599362324 /nfs/dbraw/zinc/36/23/24/599362324.db2.gz AZVWQQJUTGTXEI-UHFFFAOYSA-N -1 3 374.242 3.144 20 0 FGADHM CN(CCOc1ccccc1)c1ccc(Br)cc1-c1nn[n-]n1 ZINC000736800798 599362327 /nfs/dbraw/zinc/36/23/27/599362327.db2.gz AZVWQQJUTGTXEI-UHFFFAOYSA-N -1 3 374.242 3.144 20 0 FGADHM CCCC[C@H](CC)CC(=O)O[C@@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000736439793 599241697 /nfs/dbraw/zinc/24/16/97/599241697.db2.gz YYGMUSGCXIYBBX-KBPBESRZSA-N -1 3 373.457 3.343 20 0 FGADHM CCCC[C@H](CC)CC(=O)O[C@@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000736439793 599241698 /nfs/dbraw/zinc/24/16/98/599241698.db2.gz YYGMUSGCXIYBBX-KBPBESRZSA-N -1 3 373.457 3.343 20 0 FGADHM CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000820020802 599244791 /nfs/dbraw/zinc/24/47/91/599244791.db2.gz KETYBTPWKOYSAQ-QGZVFWFLSA-N -1 3 368.416 3.395 20 0 FGADHM CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000820020802 599244794 /nfs/dbraw/zinc/24/47/94/599244794.db2.gz KETYBTPWKOYSAQ-QGZVFWFLSA-N -1 3 368.416 3.395 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(C)(C)Cc1ccccc1 ZINC000737057957 599249052 /nfs/dbraw/zinc/24/90/52/599249052.db2.gz KITVKBWYBUVORR-UHFFFAOYSA-N -1 3 351.410 3.083 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(C)(C)Cc1ccccc1 ZINC000737057957 599249053 /nfs/dbraw/zinc/24/90/53/599249053.db2.gz KITVKBWYBUVORR-UHFFFAOYSA-N -1 3 351.410 3.083 20 0 FGADHM CCO[C@@H]1C[C@H](NC(=O)Nc2cccc(-c3nnn[n-]3)c2C)C12CCCC2 ZINC000821357601 607281913 /nfs/dbraw/zinc/28/19/13/607281913.db2.gz FFHFHQZMNMPBIB-JKSUJKDBSA-N -1 3 370.457 3.034 20 0 FGADHM CCO[C@@H]1C[C@H](NC(=O)Nc2cccc(-c3nn[n-]n3)c2C)C12CCCC2 ZINC000821357601 607281914 /nfs/dbraw/zinc/28/19/14/607281914.db2.gz FFHFHQZMNMPBIB-JKSUJKDBSA-N -1 3 370.457 3.034 20 0 FGADHM Cc1c(NC(=O)NCc2nc(C(C)C)cs2)cccc1-c1nnn[n-]1 ZINC000822103597 607281931 /nfs/dbraw/zinc/28/19/31/607281931.db2.gz IHLDGRDUWCHXGD-UHFFFAOYSA-N -1 3 357.443 3.077 20 0 FGADHM Cc1c(NC(=O)NCc2nc(C(C)C)cs2)cccc1-c1nn[n-]n1 ZINC000822103597 607281932 /nfs/dbraw/zinc/28/19/32/607281932.db2.gz IHLDGRDUWCHXGD-UHFFFAOYSA-N -1 3 357.443 3.077 20 0 FGADHM C[C@@H](CNC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1)Cc1cccs1 ZINC000820259899 599256393 /nfs/dbraw/zinc/25/63/93/599256393.db2.gz CHABXEGXCDUQIB-CHWSQXEVSA-N -1 3 370.482 3.167 20 0 FGADHM C[C@@H](CNC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1)Cc1cccs1 ZINC000820259899 599256396 /nfs/dbraw/zinc/25/63/96/599256396.db2.gz CHABXEGXCDUQIB-CHWSQXEVSA-N -1 3 370.482 3.167 20 0 FGADHM Cc1cnc([C@H](NC(=O)Nc2cccc(-c3nnn[n-]3)c2C)C2CC2)s1 ZINC000822389537 607284681 /nfs/dbraw/zinc/28/46/81/607284681.db2.gz ZSMRFPWDKRPCFS-CQSZACIVSA-N -1 3 369.454 3.213 20 0 FGADHM Cc1cnc([C@H](NC(=O)Nc2cccc(-c3nn[n-]n3)c2C)C2CC2)s1 ZINC000822389537 607284682 /nfs/dbraw/zinc/28/46/82/607284682.db2.gz ZSMRFPWDKRPCFS-CQSZACIVSA-N -1 3 369.454 3.213 20 0 FGADHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(NC[C@@H]3CC3(Cl)Cl)c2c1 ZINC000737249106 599257501 /nfs/dbraw/zinc/25/75/01/599257501.db2.gz RUVPMKNAGCSTLB-JTQLQIEISA-N -1 3 363.252 3.059 20 0 FGADHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(NC[C@@H]3CC3(Cl)Cl)c2c1 ZINC000737249106 599257502 /nfs/dbraw/zinc/25/75/02/599257502.db2.gz RUVPMKNAGCSTLB-JTQLQIEISA-N -1 3 363.252 3.059 20 0 FGADHM Cc1c(NC(=O)N(C)C[C@@H](C)c2ccccc2)cccc1-c1nnn[n-]1 ZINC000822076722 607290667 /nfs/dbraw/zinc/29/06/67/607290667.db2.gz RHRLGPJNWVSKAY-CYBMUJFWSA-N -1 3 350.426 3.443 20 0 FGADHM Cc1c(NC(=O)N(C)C[C@@H](C)c2ccccc2)cccc1-c1nn[n-]n1 ZINC000822076722 607290668 /nfs/dbraw/zinc/29/06/68/607290668.db2.gz RHRLGPJNWVSKAY-CYBMUJFWSA-N -1 3 350.426 3.443 20 0 FGADHM Cc1c(NC(=O)NCc2ccc([C@H]3C[C@@H]3C)o2)cccc1-c1nnn[n-]1 ZINC000822105599 607291100 /nfs/dbraw/zinc/29/11/00/607291100.db2.gz VNSVOGIVOPMJQV-HZMBPMFUSA-N -1 3 352.398 3.213 20 0 FGADHM Cc1c(NC(=O)NCc2ccc([C@H]3C[C@@H]3C)o2)cccc1-c1nn[n-]n1 ZINC000822105599 607291101 /nfs/dbraw/zinc/29/11/01/607291101.db2.gz VNSVOGIVOPMJQV-HZMBPMFUSA-N -1 3 352.398 3.213 20 0 FGADHM Cc1c(NC(=O)N2CCc3ccc(F)c(F)c3C2)cccc1-c1nnn[n-]1 ZINC000822090722 607293470 /nfs/dbraw/zinc/29/34/70/607293470.db2.gz MGXVBKNDPPLYQC-UHFFFAOYSA-N -1 3 370.363 3.044 20 0 FGADHM Cc1c(NC(=O)N2CCc3ccc(F)c(F)c3C2)cccc1-c1nn[n-]n1 ZINC000822090722 607293471 /nfs/dbraw/zinc/29/34/71/607293471.db2.gz MGXVBKNDPPLYQC-UHFFFAOYSA-N -1 3 370.363 3.044 20 0 FGADHM CC1(C)C[C@H](NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c2ccccc21 ZINC000820589476 607294095 /nfs/dbraw/zinc/29/40/95/607294095.db2.gz GNADTFHPUBMONX-HNNXBMFYSA-N -1 3 369.375 3.297 20 0 FGADHM CC1(C)C[C@H](NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c2ccccc21 ZINC000820589476 607294096 /nfs/dbraw/zinc/29/40/96/607294096.db2.gz GNADTFHPUBMONX-HNNXBMFYSA-N -1 3 369.375 3.297 20 0 FGADHM Cc1cc(Cl)cc2c1N(C(=O)c1ccc(-c3nnn[n-]3)cc1)CCC2 ZINC000737265441 599259446 /nfs/dbraw/zinc/25/94/46/599259446.db2.gz VXIWQTJBZOVQEI-UHFFFAOYSA-N -1 3 353.813 3.422 20 0 FGADHM Cc1cc(Cl)cc2c1N(C(=O)c1ccc(-c3nn[n-]n3)cc1)CCC2 ZINC000737265441 599259449 /nfs/dbraw/zinc/25/94/49/599259449.db2.gz VXIWQTJBZOVQEI-UHFFFAOYSA-N -1 3 353.813 3.422 20 0 FGADHM CCSCC[C@H](C)N(C)C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821456627 599260338 /nfs/dbraw/zinc/26/03/38/599260338.db2.gz RFSXHLJKAQLIRN-STQMWFEESA-N -1 3 362.503 3.101 20 0 FGADHM CCSCC[C@H](C)N(C)C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821456627 599260340 /nfs/dbraw/zinc/26/03/40/599260340.db2.gz RFSXHLJKAQLIRN-STQMWFEESA-N -1 3 362.503 3.101 20 0 FGADHM CCC(CC)(CC)NC(=O)CCCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000820887423 607301575 /nfs/dbraw/zinc/30/15/75/607301575.db2.gz CSABLKAHKUQBED-UHFFFAOYSA-N -1 3 372.473 3.061 20 0 FGADHM CCC(CC)(CC)NC(=O)CCCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000820887423 607301576 /nfs/dbraw/zinc/30/15/76/607301576.db2.gz CSABLKAHKUQBED-UHFFFAOYSA-N -1 3 372.473 3.061 20 0 FGADHM C[C@H]1CN(c2ccc(NCc3ccc(-c4nnn[n-]4)cc3)cc2)C[C@H](C)O1 ZINC000820774870 607314947 /nfs/dbraw/zinc/31/49/47/607314947.db2.gz GQMBWEGBVCUOFF-GJZGRUSLSA-N -1 3 364.453 3.092 20 0 FGADHM C[C@H]1CN(c2ccc(NCc3ccc(-c4nn[n-]n4)cc3)cc2)C[C@H](C)O1 ZINC000820774870 607314948 /nfs/dbraw/zinc/31/49/48/607314948.db2.gz GQMBWEGBVCUOFF-GJZGRUSLSA-N -1 3 364.453 3.092 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)NC1CCC(C)(C)CC1 ZINC000821406549 599267551 /nfs/dbraw/zinc/26/75/51/599267551.db2.gz HSJHGYAUFOHXPC-UHFFFAOYSA-N -1 3 358.446 3.356 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)NC1CCC(C)(C)CC1 ZINC000821406549 599267552 /nfs/dbraw/zinc/26/75/52/599267552.db2.gz HSJHGYAUFOHXPC-UHFFFAOYSA-N -1 3 358.446 3.356 20 0 FGADHM COc1cccc(F)c1[C@H](C)NC(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000821873537 599268747 /nfs/dbraw/zinc/26/87/47/599268747.db2.gz VGHJWEACMNIYQU-NSHDSACASA-N -1 3 370.388 3.206 20 0 FGADHM COc1cccc(F)c1[C@H](C)NC(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000821873537 599268750 /nfs/dbraw/zinc/26/87/50/599268750.db2.gz VGHJWEACMNIYQU-NSHDSACASA-N -1 3 370.388 3.206 20 0 FGADHM Cc1noc(C)c1CN(C)c1c(-c2nnn[n-]2)cnc2ccc(Cl)cc21 ZINC000737536558 599270744 /nfs/dbraw/zinc/27/07/44/599270744.db2.gz JQBPYLXZACOUBQ-UHFFFAOYSA-N -1 3 369.816 3.310 20 0 FGADHM Cc1noc(C)c1CN(C)c1c(-c2nn[n-]n2)cnc2ccc(Cl)cc21 ZINC000737536558 599270747 /nfs/dbraw/zinc/27/07/47/599270747.db2.gz JQBPYLXZACOUBQ-UHFFFAOYSA-N -1 3 369.816 3.310 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)C=Cc1ccsc1 ZINC000736488302 599275282 /nfs/dbraw/zinc/27/52/82/599275282.db2.gz NXXBQYBUGJOLDZ-ZZXKWVIFSA-N -1 3 354.439 3.402 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)C=Cc1cccs1 ZINC000736488352 599275371 /nfs/dbraw/zinc/27/53/71/599275371.db2.gz PNHRLGLLGRHRRX-SOFGYWHQSA-N -1 3 354.439 3.402 20 0 FGADHM CCc1nnc(-c2cccc(NCc3cc(-c4nnn[n-]4)cs3)c2)o1 ZINC000821518549 607317754 /nfs/dbraw/zinc/31/77/54/607317754.db2.gz ZJIFWQHYEFVYHB-UHFFFAOYSA-N -1 3 353.411 3.153 20 0 FGADHM CCc1nnc(-c2cccc(NCc3cc(-c4nn[n-]n4)cs3)c2)o1 ZINC000821518549 607317755 /nfs/dbraw/zinc/31/77/55/607317755.db2.gz ZJIFWQHYEFVYHB-UHFFFAOYSA-N -1 3 353.411 3.153 20 0 FGADHM CCc1ccc([C@@H]2CCCN2C(=O)NCc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000736686812 599276318 /nfs/dbraw/zinc/27/63/18/599276318.db2.gz QWWYWAAEOOFNJZ-INIZCTEOSA-N -1 3 366.425 3.069 20 0 FGADHM CCc1ccc([C@@H]2CCCN2C(=O)NCc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000736686812 599276321 /nfs/dbraw/zinc/27/63/21/599276321.db2.gz QWWYWAAEOOFNJZ-INIZCTEOSA-N -1 3 366.425 3.069 20 0 FGADHM Cc1ccc([C@H](C)OC(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822271244 607320590 /nfs/dbraw/zinc/32/05/90/607320590.db2.gz SQTDLVQUKPETTN-UONOGXRCSA-N -1 3 352.394 3.247 20 0 FGADHM Cc1cc(-c2nn[n-]n2)cc(C)c1OCC(=O)N1CCC[C@H]2CCCC[C@H]21 ZINC000737220521 599283153 /nfs/dbraw/zinc/28/31/53/599283153.db2.gz BOJLQMICALQZBN-NVXWUHKLSA-N -1 3 369.469 3.044 20 0 FGADHM Cc1cc(NC(=O)NCc2ccc(-c3nnn[n-]3)cc2)ccc1OC(C)C ZINC000822208248 599284681 /nfs/dbraw/zinc/28/46/81/599284681.db2.gz ILZHOKSAPAKZEH-UHFFFAOYSA-N -1 3 366.425 3.284 20 0 FGADHM Cc1cc(NC(=O)NCc2ccc(-c3nn[n-]n3)cc2)ccc1OC(C)C ZINC000822208248 599284685 /nfs/dbraw/zinc/28/46/85/599284685.db2.gz ILZHOKSAPAKZEH-UHFFFAOYSA-N -1 3 366.425 3.284 20 0 FGADHM C[C@H](Sc1ccc(S(C)(=O)=O)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736193946 599289294 /nfs/dbraw/zinc/28/92/94/599289294.db2.gz VIGRZMVZSQJRKA-NSHDSACASA-N -1 3 360.464 3.124 20 0 FGADHM C[C@H](Sc1ccc(S(C)(=O)=O)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736193946 599289296 /nfs/dbraw/zinc/28/92/96/599289296.db2.gz VIGRZMVZSQJRKA-NSHDSACASA-N -1 3 360.464 3.124 20 0 FGADHM CC[C@@H](C)[C@H](C)NC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820863957 599291079 /nfs/dbraw/zinc/29/10/79/599291079.db2.gz WNWJNQFEWASGRV-BDAKNGLRSA-N -1 3 356.352 3.442 20 0 FGADHM CC[C@@H](C)[C@H](C)NC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820863957 599291082 /nfs/dbraw/zinc/29/10/82/599291082.db2.gz WNWJNQFEWASGRV-BDAKNGLRSA-N -1 3 356.352 3.442 20 0 FGADHM O=C(Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)c1cscn1 ZINC000738182263 598232796 /nfs/dbraw/zinc/23/27/96/598232796.db2.gz ANOWYQQTHDIFJF-UHFFFAOYSA-N -1 3 364.390 3.368 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1NCCNc1ncc(Cl)cc1Cl ZINC000737640816 598238204 /nfs/dbraw/zinc/23/82/04/598238204.db2.gz QVZISHAOJBTJNK-UHFFFAOYSA-N -1 3 368.203 3.232 20 0 FGADHM CCC[C@H](NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccccn1 ZINC000736431447 598265413 /nfs/dbraw/zinc/26/54/13/598265413.db2.gz GLUDOWPBDALRCP-HNNXBMFYSA-N -1 3 355.377 3.064 20 0 FGADHM CCC[C@H](NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccccn1 ZINC000736431447 598265414 /nfs/dbraw/zinc/26/54/14/598265414.db2.gz GLUDOWPBDALRCP-HNNXBMFYSA-N -1 3 355.377 3.064 20 0 FGADHM C[C@@H](Nc1cccc(C(F)F)c1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000736137060 598273064 /nfs/dbraw/zinc/27/30/64/598273064.db2.gz KDYFWXOJGLYOHO-SNVBAGLBSA-N -1 3 358.352 3.243 20 0 FGADHM C[C@@H](Nc1cccc(C(F)F)c1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000736137060 598273066 /nfs/dbraw/zinc/27/30/66/598273066.db2.gz KDYFWXOJGLYOHO-SNVBAGLBSA-N -1 3 358.352 3.243 20 0 FGADHM CCc1cccc2c1OCC[C@@H]2NC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736695302 598282176 /nfs/dbraw/zinc/28/21/76/598282176.db2.gz KZWAMVHQEYJYKI-INIZCTEOSA-N -1 3 364.409 3.074 20 0 FGADHM CN(C(=O)c1cccc(-n2cccc2)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000736742501 598282174 /nfs/dbraw/zinc/28/21/74/598282174.db2.gz NPXJZRHJHMKTFI-UHFFFAOYSA-N -1 3 362.368 3.073 20 0 FGADHM CN(C(=O)c1cccc(-n2cccc2)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736742501 598282175 /nfs/dbraw/zinc/28/21/75/598282175.db2.gz NPXJZRHJHMKTFI-UHFFFAOYSA-N -1 3 362.368 3.073 20 0 FGADHM CCc1cccc2c1OCC[C@@H]2NC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736695302 598282177 /nfs/dbraw/zinc/28/21/77/598282177.db2.gz KZWAMVHQEYJYKI-INIZCTEOSA-N -1 3 364.409 3.074 20 0 FGADHM C[C@H](NC(=O)Nc1ccc2scnc2c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736117638 598291966 /nfs/dbraw/zinc/29/19/66/598291966.db2.gz RIPQGCLBCHKCOW-JTQLQIEISA-N -1 3 365.422 3.359 20 0 FGADHM C[C@H](NC(=O)Nc1ccc2scnc2c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736117638 598291967 /nfs/dbraw/zinc/29/19/67/598291967.db2.gz RIPQGCLBCHKCOW-JTQLQIEISA-N -1 3 365.422 3.359 20 0 FGADHM Cc1cccc(NC(=S)NCc2ccc(-c3nnn[n-]3)cc2F)c1C ZINC000737398963 598297838 /nfs/dbraw/zinc/29/78/38/598297838.db2.gz GCTRAOGPMLMCLX-UHFFFAOYSA-N -1 3 356.430 3.109 20 0 FGADHM Cc1cccc(NC(=S)NCc2ccc(-c3nn[n-]n3)cc2F)c1C ZINC000737398963 598297840 /nfs/dbraw/zinc/29/78/40/598297840.db2.gz GCTRAOGPMLMCLX-UHFFFAOYSA-N -1 3 356.430 3.109 20 0 FGADHM C[C@H]1C[C@H](CC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)CC(C)(C)C1 ZINC000736232713 598298698 /nfs/dbraw/zinc/29/86/98/598298698.db2.gz ZYHJEVOTCJNXQR-QWHCGFSZSA-N -1 3 359.449 3.475 20 0 FGADHM C[C@H]1C[C@H](CC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)CC(C)(C)C1 ZINC000736232713 598298701 /nfs/dbraw/zinc/29/87/01/598298701.db2.gz ZYHJEVOTCJNXQR-QWHCGFSZSA-N -1 3 359.449 3.475 20 0 FGADHM C[C@H](NC(=O)NC(C)(C)c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736113643 598303567 /nfs/dbraw/zinc/30/35/67/598303567.db2.gz RACNOHFFKDLUJU-ZDUSSCGKSA-N -1 3 350.426 3.162 20 0 FGADHM C[C@H](NC(=O)NC(C)(C)c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736113643 598303569 /nfs/dbraw/zinc/30/35/69/598303569.db2.gz RACNOHFFKDLUJU-ZDUSSCGKSA-N -1 3 350.426 3.162 20 0 FGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)c1cc2c(s1)CCCCC2 ZINC000738101553 598306715 /nfs/dbraw/zinc/30/67/15/598306715.db2.gz IGELJZXJURSCMD-UHFFFAOYSA-N -1 3 371.441 3.266 20 0 FGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)c1cc2c(s1)CCCCC2 ZINC000738101553 598306716 /nfs/dbraw/zinc/30/67/16/598306716.db2.gz IGELJZXJURSCMD-UHFFFAOYSA-N -1 3 371.441 3.266 20 0 FGADHM Cc1[nH]c2c(cccc2C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)c1C ZINC000737198177 598309346 /nfs/dbraw/zinc/30/93/46/598309346.db2.gz HFOJMAJKUKCXIZ-UHFFFAOYSA-N -1 3 364.384 3.034 20 0 FGADHM Cc1[nH]c2c(cccc2C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)c1C ZINC000737198177 598309348 /nfs/dbraw/zinc/30/93/48/598309348.db2.gz HFOJMAJKUKCXIZ-UHFFFAOYSA-N -1 3 364.384 3.034 20 0 FGADHM CN(C(=O)CCc1c[nH]c2ccccc12)c1ccc(-c2nnn[n-]2)cc1F ZINC000736733830 598311030 /nfs/dbraw/zinc/31/10/30/598311030.db2.gz XEPOBRIWDFVMJM-UHFFFAOYSA-N -1 3 364.384 3.083 20 0 FGADHM CN(C(=O)CCc1c[nH]c2ccccc12)c1ccc(-c2nn[n-]n2)cc1F ZINC000736733830 598311032 /nfs/dbraw/zinc/31/10/32/598311032.db2.gz XEPOBRIWDFVMJM-UHFFFAOYSA-N -1 3 364.384 3.083 20 0 FGADHM CC(C)N(CC1CC1)C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735858828 598321502 /nfs/dbraw/zinc/32/15/02/598321502.db2.gz HBIOCZCYAQVHTJ-UHFFFAOYSA-N -1 3 350.879 3.337 20 0 FGADHM CC(C)N(CC1CC1)C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735858828 598321504 /nfs/dbraw/zinc/32/15/04/598321504.db2.gz HBIOCZCYAQVHTJ-UHFFFAOYSA-N -1 3 350.879 3.337 20 0 FGADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCC2(CCCCC2)CC1 ZINC000736171468 598327792 /nfs/dbraw/zinc/32/77/92/598327792.db2.gz WHJBXVISEZVVMG-OAHLLOKOSA-N -1 3 369.469 3.207 20 0 FGADHM CC[C@H](COC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000736355372 598331604 /nfs/dbraw/zinc/33/16/04/598331604.db2.gz ZWVRSOWUKRUESA-LSDHHAIUSA-N -1 3 366.421 3.371 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)Oc1ccccc1OC(F)F ZINC000737802558 598361215 /nfs/dbraw/zinc/36/12/15/598361215.db2.gz PLVUJTVKKYEAPG-MDZDMXLPSA-N -1 3 358.304 3.087 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)Oc1ccccc1OC(F)F ZINC000737802558 598361217 /nfs/dbraw/zinc/36/12/17/598361217.db2.gz PLVUJTVKKYEAPG-MDZDMXLPSA-N -1 3 358.304 3.087 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OCc1nc(-c2ccsc2)oc1C ZINC000737033370 598363645 /nfs/dbraw/zinc/36/36/45/598363645.db2.gz XYNBUZHSFAJDMA-UHFFFAOYSA-N -1 3 369.406 3.479 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OCc1nc(-c2ccsc2)oc1C ZINC000737033370 598363647 /nfs/dbraw/zinc/36/36/47/598363647.db2.gz XYNBUZHSFAJDMA-UHFFFAOYSA-N -1 3 369.406 3.479 20 0 FGADHM C[C@@H](CC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1)c1ccccc1F ZINC000735975554 598364792 /nfs/dbraw/zinc/36/47/92/598364792.db2.gz PSXFJRBNKQYMAP-ZDUSSCGKSA-N -1 3 353.401 3.158 20 0 FGADHM C[C@@H](CC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1)c1ccccc1F ZINC000735975554 598364794 /nfs/dbraw/zinc/36/47/94/598364794.db2.gz PSXFJRBNKQYMAP-ZDUSSCGKSA-N -1 3 353.401 3.158 20 0 FGADHM Fc1cc(CSCc2ccc(-c3nnn[n-]3)cc2)c2c(c1)COCO2 ZINC000737654029 598370246 /nfs/dbraw/zinc/37/02/46/598370246.db2.gz WKBUTNGDTRFYLB-UHFFFAOYSA-N -1 3 358.398 3.306 20 0 FGADHM Fc1cc(CSCc2ccc(-c3nn[n-]n3)cc2)c2c(c1)COCO2 ZINC000737654029 598370249 /nfs/dbraw/zinc/37/02/49/598370249.db2.gz WKBUTNGDTRFYLB-UHFFFAOYSA-N -1 3 358.398 3.306 20 0 FGADHM C[C@H](CC(=O)OCc1cc(-c2nnn[n-]2)ccc1F)c1ccccc1F ZINC000735977932 598370696 /nfs/dbraw/zinc/37/06/96/598370696.db2.gz SGDTUBAPRYYTPZ-LLVKDONJSA-N -1 3 358.348 3.382 20 0 FGADHM C[C@H](CC(=O)OCc1cc(-c2nn[n-]n2)ccc1F)c1ccccc1F ZINC000735977932 598370697 /nfs/dbraw/zinc/37/06/97/598370697.db2.gz SGDTUBAPRYYTPZ-LLVKDONJSA-N -1 3 358.348 3.382 20 0 FGADHM Cc1oc(-c2ccsc2)nc1COC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737547599 598371332 /nfs/dbraw/zinc/37/13/32/598371332.db2.gz LEHNJQLNMRRHGQ-UHFFFAOYSA-N -1 3 367.390 3.249 20 0 FGADHM Cc1oc(-c2ccsc2)nc1COC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737547599 598371334 /nfs/dbraw/zinc/37/13/34/598371334.db2.gz LEHNJQLNMRRHGQ-UHFFFAOYSA-N -1 3 367.390 3.249 20 0 FGADHM Cc1cc(C(F)(F)F)c(-c2nnn[n-]2)c(SCCc2ccncc2)n1 ZINC000737247125 598375577 /nfs/dbraw/zinc/37/55/77/598375577.db2.gz ZFTXXGBXKPUNHL-UHFFFAOYSA-N -1 3 366.372 3.319 20 0 FGADHM O=C(Nc1cc(F)ccc1N1CCCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738143427 598382514 /nfs/dbraw/zinc/38/25/14/598382514.db2.gz BOXRCVUORJHHAJ-UHFFFAOYSA-N -1 3 366.400 3.248 20 0 FGADHM O=C(Nc1cc(F)ccc1N1CCCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738143427 598382516 /nfs/dbraw/zinc/38/25/16/598382516.db2.gz BOXRCVUORJHHAJ-UHFFFAOYSA-N -1 3 366.400 3.248 20 0 FGADHM Clc1cc(-c2nnn[n-]2)cnc1NCc1ccc(Br)cc1 ZINC000737558949 598388186 /nfs/dbraw/zinc/38/81/86/598388186.db2.gz SSZBOKWTYAPBER-UHFFFAOYSA-N -1 3 365.622 3.290 20 0 FGADHM Clc1cc(-c2nn[n-]n2)cnc1NCc1ccc(Br)cc1 ZINC000737558949 598388188 /nfs/dbraw/zinc/38/81/88/598388188.db2.gz SSZBOKWTYAPBER-UHFFFAOYSA-N -1 3 365.622 3.290 20 0 FGADHM Cc1ccc2c(c1)[C@@H](NC(=O)CSc1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000737371920 598399565 /nfs/dbraw/zinc/39/95/65/598399565.db2.gz PYYPAABSLNOMRC-KRWDZBQOSA-N -1 3 365.462 3.071 20 0 FGADHM Cc1ccc2c(c1)[C@@H](NC(=O)CSc1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000737371920 598399566 /nfs/dbraw/zinc/39/95/66/598399566.db2.gz PYYPAABSLNOMRC-KRWDZBQOSA-N -1 3 365.462 3.071 20 0 FGADHM CO[C@@H](C)c1cccc(NC(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736960123 598413026 /nfs/dbraw/zinc/41/30/26/598413026.db2.gz FGWNIZRALXHYSR-OLZOCXBDSA-N -1 3 366.425 3.457 20 0 FGADHM CO[C@@H](C)c1cccc(NC(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736960123 598413027 /nfs/dbraw/zinc/41/30/27/598413027.db2.gz FGWNIZRALXHYSR-OLZOCXBDSA-N -1 3 366.425 3.457 20 0 FGADHM CC/C=C/COC(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000736411813 598414219 /nfs/dbraw/zinc/41/42/19/598414219.db2.gz OYRSJIIQDHQHSF-ZZXKWVIFSA-N -1 3 354.366 3.162 20 0 FGADHM CC/C=C/COC(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000736411813 598414220 /nfs/dbraw/zinc/41/42/20/598414220.db2.gz OYRSJIIQDHQHSF-ZZXKWVIFSA-N -1 3 354.366 3.162 20 0 FGADHM FC(F)(F)c1ccc(OCCSc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000737635018 598420093 /nfs/dbraw/zinc/42/00/93/598420093.db2.gz DBFHPSISZDZEQF-UHFFFAOYSA-N -1 3 367.356 3.452 20 0 FGADHM FC(F)(F)c1ccc(OCCSc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000737635018 598420095 /nfs/dbraw/zinc/42/00/95/598420095.db2.gz DBFHPSISZDZEQF-UHFFFAOYSA-N -1 3 367.356 3.452 20 0 FGADHM Cc1csc(CCCCNC(=O)Nc2cc(-c3nnn[n-]3)ccc2C)n1 ZINC000737453201 598426499 /nfs/dbraw/zinc/42/64/99/598426499.db2.gz SEDXESLNIFYODD-UHFFFAOYSA-N -1 3 371.470 3.084 20 0 FGADHM Cc1csc(CCCCNC(=O)Nc2cc(-c3nn[n-]n3)ccc2C)n1 ZINC000737453201 598426500 /nfs/dbraw/zinc/42/65/00/598426500.db2.gz SEDXESLNIFYODD-UHFFFAOYSA-N -1 3 371.470 3.084 20 0 FGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCCc1ccsc1 ZINC000735874448 598427236 /nfs/dbraw/zinc/42/72/36/598427236.db2.gz OYIQRROXZVGKJD-UHFFFAOYSA-N -1 3 370.482 3.091 20 0 FGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCc1ccsc1 ZINC000735874448 598427238 /nfs/dbraw/zinc/42/72/38/598427238.db2.gz OYIQRROXZVGKJD-UHFFFAOYSA-N -1 3 370.482 3.091 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CC[C@H](c2ccccc2F)C1 ZINC000737292167 598431527 /nfs/dbraw/zinc/43/15/27/598431527.db2.gz SPWQFRAYXXAUTL-AWEZNQCLSA-N -1 3 366.400 3.336 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CC[C@H](c2ccccc2F)C1 ZINC000737292167 598431529 /nfs/dbraw/zinc/43/15/29/598431529.db2.gz SPWQFRAYXXAUTL-AWEZNQCLSA-N -1 3 366.400 3.336 20 0 FGADHM O=C(Oc1ccc2oc3ccccc3c2c1)c1ccc(-c2nnn[n-]2)cn1 ZINC000738247241 598436507 /nfs/dbraw/zinc/43/65/07/598436507.db2.gz OYMALNUUGJSUGB-UHFFFAOYSA-N -1 3 357.329 3.380 20 0 FGADHM O=C(Oc1ccc2oc3ccccc3c2c1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738247241 598436509 /nfs/dbraw/zinc/43/65/09/598436509.db2.gz OYMALNUUGJSUGB-UHFFFAOYSA-N -1 3 357.329 3.380 20 0 FGADHM O=C(c1ccc(-c2nnn[n-]2)cn1)N(Cc1ccc2ccccc2c1)C1CC1 ZINC000738261675 598442180 /nfs/dbraw/zinc/44/21/80/598442180.db2.gz SYEQTRZQCTWCGQ-UHFFFAOYSA-N -1 3 370.416 3.220 20 0 FGADHM O=C(c1ccc(-c2nn[n-]n2)cn1)N(Cc1ccc2ccccc2c1)C1CC1 ZINC000738261675 598442182 /nfs/dbraw/zinc/44/21/82/598442182.db2.gz SYEQTRZQCTWCGQ-UHFFFAOYSA-N -1 3 370.416 3.220 20 0 FGADHM CC(C)Oc1ccc(F)cc1NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000735915868 598459955 /nfs/dbraw/zinc/45/99/55/598459955.db2.gz UEJZZLJVFOKKTP-UHFFFAOYSA-N -1 3 357.389 3.284 20 0 FGADHM CC(C)(CCc1ccccc1)NC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000735665610 598477421 /nfs/dbraw/zinc/47/74/21/598477421.db2.gz HUPSDBCYMNQPBM-UHFFFAOYSA-N -1 3 364.453 3.077 20 0 FGADHM CC(C)(CCc1ccccc1)NC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000735665610 598477422 /nfs/dbraw/zinc/47/74/22/598477422.db2.gz HUPSDBCYMNQPBM-UHFFFAOYSA-N -1 3 364.453 3.077 20 0 FGADHM C[C@H](OC(=O)c1c(Cl)nc2ccccn21)c1cccc(-c2nnn[n-]2)c1 ZINC000736160481 598487989 /nfs/dbraw/zinc/48/79/89/598487989.db2.gz QIIRDIKDJZHJBU-JTQLQIEISA-N -1 3 368.784 3.086 20 0 FGADHM C[C@H](OC(=O)c1c(Cl)nc2ccccn21)c1cccc(-c2nn[n-]n2)c1 ZINC000736160481 598487990 /nfs/dbraw/zinc/48/79/90/598487990.db2.gz QIIRDIKDJZHJBU-JTQLQIEISA-N -1 3 368.784 3.086 20 0 FGADHM C[C@@H](OC(=O)c1cnn(Cc2ccccc2)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000736164121 598489603 /nfs/dbraw/zinc/48/96/03/598489603.db2.gz UJJJGWGVRRPOFW-CQSZACIVSA-N -1 3 374.404 3.030 20 0 FGADHM C[C@@H](OC(=O)c1cnn(Cc2ccccc2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000736164121 598489604 /nfs/dbraw/zinc/48/96/04/598489604.db2.gz UJJJGWGVRRPOFW-CQSZACIVSA-N -1 3 374.404 3.030 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)c1sc(CC(C)C)nc1C ZINC000737062416 598498687 /nfs/dbraw/zinc/49/86/87/598498687.db2.gz LGUBVPGSKWLJMY-UHFFFAOYSA-N -1 3 372.454 3.091 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)c1sc(CC(C)C)nc1C ZINC000737062416 598498689 /nfs/dbraw/zinc/49/86/89/598498689.db2.gz LGUBVPGSKWLJMY-UHFFFAOYSA-N -1 3 372.454 3.091 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)Cc1c[nH]c2cc(Cl)ccc12 ZINC000737291388 598498794 /nfs/dbraw/zinc/49/87/94/598498794.db2.gz JWIVDFWCJMTPKS-UHFFFAOYSA-N -1 3 366.812 3.491 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)Cc1c[nH]c2cc(Cl)ccc12 ZINC000737291388 598498795 /nfs/dbraw/zinc/49/87/95/598498795.db2.gz JWIVDFWCJMTPKS-UHFFFAOYSA-N -1 3 366.812 3.491 20 0 FGADHM O=C(Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1)[C@H]1CCCOC1 ZINC000738175572 598499410 /nfs/dbraw/zinc/49/94/10/598499410.db2.gz PBLBKVOQIPHGRS-ZDUSSCGKSA-N -1 3 365.393 3.024 20 0 FGADHM O=C(Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1)[C@H]1CCCOC1 ZINC000738175572 598499412 /nfs/dbraw/zinc/49/94/12/598499412.db2.gz PBLBKVOQIPHGRS-ZDUSSCGKSA-N -1 3 365.393 3.024 20 0 FGADHM CC[C@@H](Cc1ccccc1)NC(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000736353327 598513531 /nfs/dbraw/zinc/51/35/31/598513531.db2.gz WTCBXBFMAJRVDW-AWEZNQCLSA-N -1 3 352.467 3.174 20 0 FGADHM CC[C@@H](Cc1ccccc1)NC(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000736353327 598513533 /nfs/dbraw/zinc/51/35/33/598513533.db2.gz WTCBXBFMAJRVDW-AWEZNQCLSA-N -1 3 352.467 3.174 20 0 FGADHM O=C(OCc1csc(-c2ccoc2)n1)c1sccc1-c1nnn[n-]1 ZINC000738245854 598513713 /nfs/dbraw/zinc/51/37/13/598513713.db2.gz YTGANVRUMMMJPJ-UHFFFAOYSA-N -1 3 359.392 3.002 20 0 FGADHM CCc1c(C)sc(NC(=O)[C@@H](C)OCc2ccccc2)c1-c1nnn[n-]1 ZINC000736670796 598515991 /nfs/dbraw/zinc/51/59/91/598515991.db2.gz RZTCQZYPTVIDBF-LLVKDONJSA-N -1 3 371.466 3.343 20 0 FGADHM CCc1c(C)sc(NC(=O)[C@@H](C)OCc2ccccc2)c1-c1nn[n-]n1 ZINC000736670796 598515992 /nfs/dbraw/zinc/51/59/92/598515992.db2.gz RZTCQZYPTVIDBF-LLVKDONJSA-N -1 3 371.466 3.343 20 0 FGADHM CCc1c(C)sc(NC(=O)COc2ccc(C)c(C)c2)c1-c1nnn[n-]1 ZINC000736674142 598516730 /nfs/dbraw/zinc/51/67/30/598516730.db2.gz AEPQEGOYGGMYFS-UHFFFAOYSA-N -1 3 371.466 3.433 20 0 FGADHM CCc1c(C)sc(NC(=O)COc2ccc(C)c(C)c2)c1-c1nn[n-]n1 ZINC000736674142 598516731 /nfs/dbraw/zinc/51/67/31/598516731.db2.gz AEPQEGOYGGMYFS-UHFFFAOYSA-N -1 3 371.466 3.433 20 0 FGADHM CCc1c(C)sc(NC(=O)c2cn3ccc(C)cc3n2)c1-c1nnn[n-]1 ZINC000736675788 598517551 /nfs/dbraw/zinc/51/75/51/598517551.db2.gz NJELOSBCNLSZLQ-UHFFFAOYSA-N -1 3 367.438 3.007 20 0 FGADHM CCc1c(C)sc(NC(=O)c2cn3ccc(C)cc3n2)c1-c1nn[n-]n1 ZINC000736675788 598517554 /nfs/dbraw/zinc/51/75/54/598517554.db2.gz NJELOSBCNLSZLQ-UHFFFAOYSA-N -1 3 367.438 3.007 20 0 FGADHM CC(C)CC[C@H]1CCC[C@@H]1NC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000735796887 598526546 /nfs/dbraw/zinc/52/65/46/598526546.db2.gz JPHORQGYPZSSAU-WBVHZDCISA-N -1 3 356.474 3.271 20 0 FGADHM CC(C)CC[C@H]1CCC[C@@H]1NC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000735796887 598526547 /nfs/dbraw/zinc/52/65/47/598526547.db2.gz JPHORQGYPZSSAU-WBVHZDCISA-N -1 3 356.474 3.271 20 0 FGADHM CC[C@H](Cc1ccccc1)NC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736352600 598527302 /nfs/dbraw/zinc/52/73/02/598527302.db2.gz TUYNINLCNPWXLC-KBXCAEBGSA-N -1 3 364.453 3.248 20 0 FGADHM CC[C@H](Cc1ccccc1)NC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736352600 598527304 /nfs/dbraw/zinc/52/73/04/598527304.db2.gz TUYNINLCNPWXLC-KBXCAEBGSA-N -1 3 364.453 3.248 20 0 FGADHM CC[C@@H](Cc1ccccc1)NC(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000736351594 598534563 /nfs/dbraw/zinc/53/45/63/598534563.db2.gz PIUUKMLREPSTHV-INIZCTEOSA-N -1 3 350.426 3.318 20 0 FGADHM CC[C@@H](Cc1ccccc1)NC(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000736351594 598534564 /nfs/dbraw/zinc/53/45/64/598534564.db2.gz PIUUKMLREPSTHV-INIZCTEOSA-N -1 3 350.426 3.318 20 0 FGADHM Cc1cc(OCc2cccc(-c3nnn[n-]3)c2)ccc1NC(=O)C(C)C ZINC000737279141 598542364 /nfs/dbraw/zinc/54/23/64/598542364.db2.gz HFYHZDANAOOVSN-UHFFFAOYSA-N -1 3 351.410 3.349 20 0 FGADHM Cc1cc(OCc2cccc(-c3nn[n-]n3)c2)ccc1NC(=O)C(C)C ZINC000737279141 598542366 /nfs/dbraw/zinc/54/23/66/598542366.db2.gz HFYHZDANAOOVSN-UHFFFAOYSA-N -1 3 351.410 3.349 20 0 FGADHM O=C(C=Cc1ccccc1)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000737796012 598547191 /nfs/dbraw/zinc/54/71/91/598547191.db2.gz DRJQWBXJOYPPSL-RMKNXTFCSA-N -1 3 357.320 3.120 20 0 FGADHM O=C(C=Cc1ccccc1)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000737796012 598547192 /nfs/dbraw/zinc/54/71/92/598547192.db2.gz DRJQWBXJOYPPSL-RMKNXTFCSA-N -1 3 357.320 3.120 20 0 FGADHM CC(C)Cc1ccc(C(=O)COc2ccc(-c3nnn[n-]3)c(F)c2)cc1 ZINC000735849446 598549984 /nfs/dbraw/zinc/54/99/84/598549984.db2.gz JBYMMYVDMGYGHV-UHFFFAOYSA-N -1 3 354.385 3.466 20 0 FGADHM CC(C)Cc1ccc(C(=O)COc2ccc(-c3nn[n-]n3)c(F)c2)cc1 ZINC000735849446 598549986 /nfs/dbraw/zinc/54/99/86/598549986.db2.gz JBYMMYVDMGYGHV-UHFFFAOYSA-N -1 3 354.385 3.466 20 0 FGADHM CCO[C@@H]1C[C@H]1C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736614823 598554487 /nfs/dbraw/zinc/55/44/87/598554487.db2.gz VVKXDVKVHXDHNJ-IAGOWNOFSA-N -1 3 365.393 3.023 20 0 FGADHM CCO[C@@H]1C[C@H]1C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736614823 598554489 /nfs/dbraw/zinc/55/44/89/598554489.db2.gz VVKXDVKVHXDHNJ-IAGOWNOFSA-N -1 3 365.393 3.023 20 0 FGADHM CC(C)CCC[C@@H](C)NC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000735796970 598570230 /nfs/dbraw/zinc/57/02/30/598570230.db2.gz KYSRCAISSBFPQG-CRAIPNDOSA-N -1 3 370.501 3.167 20 0 FGADHM Cc1ccc(NC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000737356445 598570503 /nfs/dbraw/zinc/57/05/03/598570503.db2.gz PODYDUWMIKUHEW-GOSISDBHSA-N -1 3 362.437 3.091 20 0 FGADHM O=C(Nc1ccccc1-c1nnn[n-]1)c1csc(Cc2ccccc2)n1 ZINC000738190258 598574008 /nfs/dbraw/zinc/57/40/08/598574008.db2.gz BSHBWXUBTDBUIR-UHFFFAOYSA-N -1 3 362.418 3.166 20 0 FGADHM O=C(Nc1ccccc1-c1nn[n-]n1)c1csc(Cc2ccccc2)n1 ZINC000738190258 598574010 /nfs/dbraw/zinc/57/40/10/598574010.db2.gz BSHBWXUBTDBUIR-UHFFFAOYSA-N -1 3 362.418 3.166 20 0 FGADHM O[C@@H](c1ccc(Cl)cc1)C1CCN(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000738385357 598580808 /nfs/dbraw/zinc/58/08/08/598580808.db2.gz HVBHVNQDRUXSLN-SFHVURJKSA-N -1 3 369.856 3.470 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[C@@H]1CCOc2ccccc21 ZINC000738144951 598582402 /nfs/dbraw/zinc/58/24/02/598582402.db2.gz PGCUKAQPHVNVPO-GFCCVEGCSA-N -1 3 355.785 3.025 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)[C@@H]1CCOc2ccccc21 ZINC000738144951 598582403 /nfs/dbraw/zinc/58/24/03/598582403.db2.gz PGCUKAQPHVNVPO-GFCCVEGCSA-N -1 3 355.785 3.025 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)O[C@@H]1CCCc2ccccc2C1=O ZINC000737801193 598583997 /nfs/dbraw/zinc/58/39/97/598583997.db2.gz MQGPXVPCMGRWLQ-MENFKHAKSA-N -1 3 374.400 3.011 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)O[C@@H]1CCCc2ccccc2C1=O ZINC000737801193 598583999 /nfs/dbraw/zinc/58/39/99/598583999.db2.gz MQGPXVPCMGRWLQ-MENFKHAKSA-N -1 3 374.400 3.011 20 0 FGADHM C[C@@H](SCc1ccccc1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736192034 598585684 /nfs/dbraw/zinc/58/56/84/598585684.db2.gz KEDCPAUZYXITHC-LLVKDONJSA-N -1 3 357.414 3.266 20 0 FGADHM C[C@@H](SCc1ccccc1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736192034 598585686 /nfs/dbraw/zinc/58/56/86/598585686.db2.gz KEDCPAUZYXITHC-LLVKDONJSA-N -1 3 357.414 3.266 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000738163700 598585818 /nfs/dbraw/zinc/58/58/18/598585818.db2.gz STMUMSJWEOPULR-BDAKNGLRSA-N -1 3 357.311 3.313 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000738163700 598585820 /nfs/dbraw/zinc/58/58/20/598585820.db2.gz STMUMSJWEOPULR-BDAKNGLRSA-N -1 3 357.311 3.313 20 0 FGADHM Cc1cc(C)c(C(=O)COC(=O)c2sccc2-c2nnn[n-]2)c(C)c1C ZINC000737240670 598599621 /nfs/dbraw/zinc/59/96/21/598599621.db2.gz LZLJTYZSYGKEPZ-UHFFFAOYSA-N -1 3 370.434 3.202 20 0 FGADHM CSCc1cccc(NC(=O)NCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737187737 598601355 /nfs/dbraw/zinc/60/13/55/598601355.db2.gz SVGVXMPOZZXKBW-UHFFFAOYSA-N -1 3 354.439 3.051 20 0 FGADHM CSCc1cccc(NC(=O)NCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737187737 598601357 /nfs/dbraw/zinc/60/13/57/598601357.db2.gz SVGVXMPOZZXKBW-UHFFFAOYSA-N -1 3 354.439 3.051 20 0 FGADHM CC(C)(C)c1ccc(NC(=O)CNc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000735648529 598602885 /nfs/dbraw/zinc/60/28/85/598602885.db2.gz HFWQLTGGHMCKSA-UHFFFAOYSA-N -1 3 368.416 3.354 20 0 FGADHM CC(C)(C)c1ccc(NC(=O)CNc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000735648529 598602886 /nfs/dbraw/zinc/60/28/86/598602886.db2.gz HFWQLTGGHMCKSA-UHFFFAOYSA-N -1 3 368.416 3.354 20 0 FGADHM Cc1ccc(NC(=O)CNc2ccc(F)c(-c3nnn[n-]3)c2)cc1Cl ZINC000737356605 598603645 /nfs/dbraw/zinc/60/36/45/598603645.db2.gz ICBFDPIHKZLIDY-UHFFFAOYSA-N -1 3 360.780 3.018 20 0 FGADHM Cc1ccc(NC(=O)CNc2ccc(F)c(-c3nn[n-]n3)c2)cc1Cl ZINC000737356605 598603647 /nfs/dbraw/zinc/60/36/47/598603647.db2.gz ICBFDPIHKZLIDY-UHFFFAOYSA-N -1 3 360.780 3.018 20 0 FGADHM C[C@@H](COc1cccc(F)c1)OC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000736037015 598606537 /nfs/dbraw/zinc/60/65/37/598606537.db2.gz BXDGQGZQYGBYGX-LXKVQUBZSA-N -1 3 368.368 3.030 20 0 FGADHM C[C@@H](COc1cccc(F)c1)OC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000736037015 598606538 /nfs/dbraw/zinc/60/65/38/598606538.db2.gz BXDGQGZQYGBYGX-LXKVQUBZSA-N -1 3 368.368 3.030 20 0 FGADHM CCCc1noc(-c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)n1 ZINC000736499884 598609627 /nfs/dbraw/zinc/60/96/27/598609627.db2.gz KGUIRHPRPJGIBI-UHFFFAOYSA-N -1 3 352.354 3.041 20 0 FGADHM c1cnc2c(c1)cccc2Cc1noc(-c2cccc(-c3nnn[n-]3)c2)n1 ZINC000738404711 598610330 /nfs/dbraw/zinc/61/03/30/598610330.db2.gz JLDAQDXACDKUIO-UHFFFAOYSA-N -1 3 355.361 3.056 20 0 FGADHM c1cnc2c(c1)cccc2Cc1noc(-c2cccc(-c3nn[n-]n3)c2)n1 ZINC000738404711 598610332 /nfs/dbraw/zinc/61/03/32/598610332.db2.gz JLDAQDXACDKUIO-UHFFFAOYSA-N -1 3 355.361 3.056 20 0 FGADHM O=C(NCC1(c2ccccc2)CCC1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738039406 598631096 /nfs/dbraw/zinc/63/10/96/598631096.db2.gz MZMJSDGRAMMCGS-UHFFFAOYSA-N -1 3 366.400 3.249 20 0 FGADHM O=C(NCC1(c2ccccc2)CCC1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738039406 598631097 /nfs/dbraw/zinc/63/10/97/598631097.db2.gz MZMJSDGRAMMCGS-UHFFFAOYSA-N -1 3 366.400 3.249 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000738168208 598632980 /nfs/dbraw/zinc/63/29/80/598632980.db2.gz WBKDODUPQQCMME-RWMBFGLXSA-N -1 3 358.421 3.486 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000738168208 598632982 /nfs/dbraw/zinc/63/29/82/598632982.db2.gz WBKDODUPQQCMME-RWMBFGLXSA-N -1 3 358.421 3.486 20 0 FGADHM Fc1ccc([C@H]2CN(c3c(Cl)cccc3-c3nnn[n-]3)CCO2)cc1 ZINC000737652646 598633595 /nfs/dbraw/zinc/63/35/95/598633595.db2.gz ZWOKNOQDLBHBSN-OAHLLOKOSA-N -1 3 359.792 3.237 20 0 FGADHM Fc1ccc([C@H]2CN(c3c(Cl)cccc3-c3nn[n-]n3)CCO2)cc1 ZINC000737652646 598633596 /nfs/dbraw/zinc/63/35/96/598633596.db2.gz ZWOKNOQDLBHBSN-OAHLLOKOSA-N -1 3 359.792 3.237 20 0 FGADHM Cc1ccc(C(=O)C2CCN(c3ccc(F)cc3-c3nnn[n-]3)CC2)cc1 ZINC000737306413 598635014 /nfs/dbraw/zinc/63/50/14/598635014.db2.gz ARQWGVFPSFNWAQ-UHFFFAOYSA-N -1 3 365.412 3.414 20 0 FGADHM Cc1ccc(C(=O)C2CCN(c3ccc(F)cc3-c3nn[n-]n3)CC2)cc1 ZINC000737306413 598635016 /nfs/dbraw/zinc/63/50/16/598635016.db2.gz ARQWGVFPSFNWAQ-UHFFFAOYSA-N -1 3 365.412 3.414 20 0 FGADHM Cc1ccccc1N1CCN(c2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000737436286 598636788 /nfs/dbraw/zinc/63/67/88/598636788.db2.gz QSUYRCBBKMLPJY-UHFFFAOYSA-N -1 3 354.845 3.155 20 0 FGADHM Cc1ccccc1N1CCN(c2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000737436286 598636789 /nfs/dbraw/zinc/63/67/89/598636789.db2.gz QSUYRCBBKMLPJY-UHFFFAOYSA-N -1 3 354.845 3.155 20 0 FGADHM COc1ccc(NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737103092 598643787 /nfs/dbraw/zinc/64/37/87/598643787.db2.gz QKXWJGKXVRGVJO-UHFFFAOYSA-N -1 3 367.409 3.063 20 0 FGADHM COc1ccc(NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737103092 598643789 /nfs/dbraw/zinc/64/37/89/598643789.db2.gz QKXWJGKXVRGVJO-UHFFFAOYSA-N -1 3 367.409 3.063 20 0 FGADHM Fc1ccc(CSc2nnc(C3CC3)n2C2CC2)c(-c2nnn[n-]2)c1 ZINC000737648263 598644773 /nfs/dbraw/zinc/64/47/73/598644773.db2.gz HYXHNYPJSBYMOB-UHFFFAOYSA-N -1 3 357.418 3.102 20 0 FGADHM Fc1ccc(CSc2nnc(C3CC3)n2C2CC2)c(-c2nn[n-]n2)c1 ZINC000737648263 598644775 /nfs/dbraw/zinc/64/47/75/598644775.db2.gz HYXHNYPJSBYMOB-UHFFFAOYSA-N -1 3 357.418 3.102 20 0 FGADHM C[C@H](CCc1ccccc1)NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000735992351 598647126 /nfs/dbraw/zinc/64/71/26/598647126.db2.gz CRQORLLZSSCXSW-CQSZACIVSA-N -1 3 367.478 3.096 20 0 FGADHM C[C@H](CCc1ccccc1)NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000735992351 598647124 /nfs/dbraw/zinc/64/71/24/598647124.db2.gz CRQORLLZSSCXSW-CQSZACIVSA-N -1 3 367.478 3.096 20 0 FGADHM CC(C)COc1ncccc1C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000735844048 598649569 /nfs/dbraw/zinc/64/95/69/598649569.db2.gz GAHLRWRIPFACDV-UHFFFAOYSA-N -1 3 372.816 3.202 20 0 FGADHM CC(C)COc1ncccc1C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000735844048 598649571 /nfs/dbraw/zinc/64/95/71/598649571.db2.gz GAHLRWRIPFACDV-UHFFFAOYSA-N -1 3 372.816 3.202 20 0 FGADHM C[C@@H]1CCC[C@H](N(C)C(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)C1 ZINC000736250819 598649962 /nfs/dbraw/zinc/64/99/62/598649962.db2.gz MZTWMZLALHMCOU-WBVHZDCISA-N -1 3 371.485 3.453 20 0 FGADHM C[C@@H]1CCC[C@H](N(C)C(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)C1 ZINC000736250819 598649963 /nfs/dbraw/zinc/64/99/63/598649963.db2.gz MZTWMZLALHMCOU-WBVHZDCISA-N -1 3 371.485 3.453 20 0 FGADHM COCCOc1cccc(CNc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000737014880 598653004 /nfs/dbraw/zinc/65/30/04/598653004.db2.gz KPIIHRFVUIZOLV-UHFFFAOYSA-N -1 3 359.817 3.157 20 0 FGADHM COCCOc1cccc(CNc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000737014880 598653006 /nfs/dbraw/zinc/65/30/06/598653006.db2.gz KPIIHRFVUIZOLV-UHFFFAOYSA-N -1 3 359.817 3.157 20 0 FGADHM C[C@H](CNC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)C1CC1 ZINC000736026003 598657047 /nfs/dbraw/zinc/65/70/47/598657047.db2.gz LHLMCQKLBXMDAM-CYBMUJFWSA-N -1 3 363.421 3.435 20 0 FGADHM C[C@H](CNC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)C1CC1 ZINC000736026003 598657049 /nfs/dbraw/zinc/65/70/49/598657049.db2.gz LHLMCQKLBXMDAM-CYBMUJFWSA-N -1 3 363.421 3.435 20 0 FGADHM COc1ccccc1[C@H](C)CC(=O)N(C)c1cccc(-c2nnn[n-]2)c1 ZINC000737142346 598657269 /nfs/dbraw/zinc/65/72/69/598657269.db2.gz MYQHVNRMXYHHIA-CYBMUJFWSA-N -1 3 351.410 3.032 20 0 FGADHM COc1ccccc1[C@H](C)CC(=O)N(C)c1cccc(-c2nn[n-]n2)c1 ZINC000737142346 598657270 /nfs/dbraw/zinc/65/72/70/598657270.db2.gz MYQHVNRMXYHHIA-CYBMUJFWSA-N -1 3 351.410 3.032 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cn1)C1(Sc2ccccc2)CCCC1 ZINC000738151627 598660747 /nfs/dbraw/zinc/66/07/47/598660747.db2.gz NJEZOJZOVVUYRF-UHFFFAOYSA-N -1 3 366.450 3.305 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cn1)C1(Sc2ccccc2)CCCC1 ZINC000738151627 598660749 /nfs/dbraw/zinc/66/07/49/598660749.db2.gz NJEZOJZOVVUYRF-UHFFFAOYSA-N -1 3 366.450 3.305 20 0 FGADHM O=C(c1sccc1-c1nnn[n-]1)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000738291584 598670401 /nfs/dbraw/zinc/67/04/01/598670401.db2.gz HYRIJXAWSFKZHY-LLVKDONJSA-N -1 3 359.842 3.211 20 0 FGADHM O=C(c1sccc1-c1nn[n-]n1)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000738291584 598670404 /nfs/dbraw/zinc/67/04/04/598670404.db2.gz HYRIJXAWSFKZHY-LLVKDONJSA-N -1 3 359.842 3.211 20 0 FGADHM CCn1c(CN(C)Cc2ccc(-c3nnn[n-]3)cc2)nc2c1cccc2F ZINC000736721027 598680234 /nfs/dbraw/zinc/68/02/34/598680234.db2.gz ZWAZQQCYCZWQTJ-UHFFFAOYSA-N -1 3 365.416 3.007 20 0 FGADHM CCn1c(CN(C)Cc2ccc(-c3nn[n-]n3)cc2)nc2c1cccc2F ZINC000736721027 598680235 /nfs/dbraw/zinc/68/02/35/598680235.db2.gz ZWAZQQCYCZWQTJ-UHFFFAOYSA-N -1 3 365.416 3.007 20 0 FGADHM O=C(Nc1cc(Br)ccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000738144401 598686068 /nfs/dbraw/zinc/68/60/68/598686068.db2.gz CDECOWWDHUCPEB-UHFFFAOYSA-N -1 3 362.162 3.021 20 0 FGADHM O=C(Nc1cc(Br)ccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000738144401 598686069 /nfs/dbraw/zinc/68/60/69/598686069.db2.gz CDECOWWDHUCPEB-UHFFFAOYSA-N -1 3 362.162 3.021 20 0 FGADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)N1CCC[C@@H]1C1CCC1 ZINC000737832698 598688871 /nfs/dbraw/zinc/68/88/71/598688871.db2.gz KIGNJFCIVCXFRW-GOSISDBHSA-N -1 3 369.469 3.207 20 0 FGADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)N1CCC[C@@H]1C1CCC1 ZINC000737832698 598688873 /nfs/dbraw/zinc/68/88/73/598688873.db2.gz KIGNJFCIVCXFRW-GOSISDBHSA-N -1 3 369.469 3.207 20 0 FGADHM Fc1ccc(CSCc2ccc3c(c2)OCCO3)c(-c2nnn[n-]2)c1 ZINC000737648401 598697024 /nfs/dbraw/zinc/69/70/24/598697024.db2.gz JXVMSXDRTZMZHX-UHFFFAOYSA-N -1 3 358.398 3.210 20 0 FGADHM Fc1ccc(CSCc2ccc3c(c2)OCCO3)c(-c2nn[n-]n2)c1 ZINC000737648401 598697025 /nfs/dbraw/zinc/69/70/25/598697025.db2.gz JXVMSXDRTZMZHX-UHFFFAOYSA-N -1 3 358.398 3.210 20 0 FGADHM CSc1ccc(C)c(C(=O)OCc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000737192911 598706180 /nfs/dbraw/zinc/70/61/80/598706180.db2.gz MDGYWZBPOJCKDU-UHFFFAOYSA-N -1 3 358.398 3.393 20 0 FGADHM CSc1ccc(C)c(C(=O)OCc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000737192911 598706182 /nfs/dbraw/zinc/70/61/82/598706182.db2.gz MDGYWZBPOJCKDU-UHFFFAOYSA-N -1 3 358.398 3.393 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)c1ccc2cc(O)ccc2c1 ZINC000738234386 598707550 /nfs/dbraw/zinc/70/75/50/598707550.db2.gz FBNBGNNCNUSMTF-UHFFFAOYSA-N -1 3 364.336 3.222 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)c1ccc2cc(O)ccc2c1 ZINC000738234386 598707552 /nfs/dbraw/zinc/70/75/52/598707552.db2.gz FBNBGNNCNUSMTF-UHFFFAOYSA-N -1 3 364.336 3.222 20 0 FGADHM C[C@H](NC(=O)NC(C)(C)c1ccc(F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736110766 598716320 /nfs/dbraw/zinc/71/63/20/598716320.db2.gz CHNTVSQMBFZLBS-LBPRGKRZSA-N -1 3 368.416 3.301 20 0 FGADHM C[C@H](NC(=O)NC(C)(C)c1ccc(F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736110766 598716322 /nfs/dbraw/zinc/71/63/22/598716322.db2.gz CHNTVSQMBFZLBS-LBPRGKRZSA-N -1 3 368.416 3.301 20 0 FGADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)N[C@@H]1CCC[C@H]1c1ccccc1 ZINC000738117946 598716708 /nfs/dbraw/zinc/71/67/08/598716708.db2.gz ZOMAQQRKLPQJKK-ZWKOTPCHSA-N -1 3 362.437 3.002 20 0 FGADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)N[C@@H]1CCC[C@H]1c1ccccc1 ZINC000738117946 598716710 /nfs/dbraw/zinc/71/67/10/598716710.db2.gz ZOMAQQRKLPQJKK-ZWKOTPCHSA-N -1 3 362.437 3.002 20 0 FGADHM CC(=CC(=O)OCc1ccc(-c2nnn[n-]2)cc1F)c1cccc(F)c1 ZINC000735449434 598724207 /nfs/dbraw/zinc/72/42/07/598724207.db2.gz YAQLPUNNWLKGJQ-YRNVUSSQSA-N -1 3 356.332 3.292 20 0 FGADHM CC(=CC(=O)OCc1ccc(-c2nn[n-]n2)cc1F)c1cccc(F)c1 ZINC000735449434 598724208 /nfs/dbraw/zinc/72/42/08/598724208.db2.gz YAQLPUNNWLKGJQ-YRNVUSSQSA-N -1 3 356.332 3.292 20 0 FGADHM Cc1cc(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)ccc1F ZINC000737233015 598735012 /nfs/dbraw/zinc/73/50/12/598735012.db2.gz CIFDSWOFUJCFQF-UHFFFAOYSA-N -1 3 351.385 3.119 20 0 FGADHM Cc1cc(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)ccc1F ZINC000737233015 598735013 /nfs/dbraw/zinc/73/50/13/598735013.db2.gz CIFDSWOFUJCFQF-UHFFFAOYSA-N -1 3 351.385 3.119 20 0 FGADHM Cc1ccccc1[C@H](NC(=O)COc1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000737423574 598754730 /nfs/dbraw/zinc/75/47/30/598754730.db2.gz SWVDFTXFXBLWKP-LJQANCHMSA-N -1 3 365.437 3.067 20 0 FGADHM Cc1ccccc1[C@H](NC(=O)COc1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000737423574 598754731 /nfs/dbraw/zinc/75/47/31/598754731.db2.gz SWVDFTXFXBLWKP-LJQANCHMSA-N -1 3 365.437 3.067 20 0 FGADHM CC(C)N(Cc1ccco1)C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736112085 598781321 /nfs/dbraw/zinc/78/13/21/598781321.db2.gz PKVTVTLGELUPSF-ZDUSSCGKSA-N -1 3 354.414 3.141 20 0 FGADHM CC(C)N(Cc1ccco1)C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736112085 598781322 /nfs/dbraw/zinc/78/13/22/598781322.db2.gz PKVTVTLGELUPSF-ZDUSSCGKSA-N -1 3 354.414 3.141 20 0 FGADHM CC(C)(C)COC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000735617830 598785397 /nfs/dbraw/zinc/78/53/97/598785397.db2.gz BBVPOCMXXBIZEK-UHFFFAOYSA-N -1 3 356.382 3.242 20 0 FGADHM O=C(OCc1ccccc1-c1nnn[n-]1)c1ccc(-n2cccc2)c(F)c1 ZINC000738233695 598788537 /nfs/dbraw/zinc/78/85/37/598788537.db2.gz FVNGHFBLKSHHLV-UHFFFAOYSA-N -1 3 363.352 3.154 20 0 FGADHM O=C(OCc1ccccc1-c1nn[n-]n1)c1ccc(-n2cccc2)c(F)c1 ZINC000738233695 598788539 /nfs/dbraw/zinc/78/85/39/598788539.db2.gz FVNGHFBLKSHHLV-UHFFFAOYSA-N -1 3 363.352 3.154 20 0 FGADHM COc1cc(C)c(CN(C)c2ccc(Cl)cc2-c2nnn[n-]2)cc1OC ZINC000737039130 598791980 /nfs/dbraw/zinc/79/19/80/598791980.db2.gz AGNJYCZOZPISCQ-UHFFFAOYSA-N -1 3 373.844 3.482 20 0 FGADHM COc1cc(C)c(CN(C)c2ccc(Cl)cc2-c2nn[n-]n2)cc1OC ZINC000737039130 598791981 /nfs/dbraw/zinc/79/19/81/598791981.db2.gz AGNJYCZOZPISCQ-UHFFFAOYSA-N -1 3 373.844 3.482 20 0 FGADHM C[C@H](c1cccc(Nc2cccc(F)c2-c2nnn[n-]2)c1)N1CCOCC1 ZINC000736197901 598797003 /nfs/dbraw/zinc/79/70/03/598797003.db2.gz DDDWDOYUCFVFAN-CYBMUJFWSA-N -1 3 368.416 3.143 20 0 FGADHM C[C@H](c1cccc(Nc2cccc(F)c2-c2nn[n-]n2)c1)N1CCOCC1 ZINC000736197901 598797005 /nfs/dbraw/zinc/79/70/05/598797005.db2.gz DDDWDOYUCFVFAN-CYBMUJFWSA-N -1 3 368.416 3.143 20 0 FGADHM CCC[C@H](NC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccccn1 ZINC000736431968 598800681 /nfs/dbraw/zinc/80/06/81/598800681.db2.gz YSRZGRNEQXJYNK-DYVFJYSZSA-N -1 3 365.441 3.163 20 0 FGADHM CCC[C@H](NC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccccn1 ZINC000736431968 598800683 /nfs/dbraw/zinc/80/06/83/598800683.db2.gz YSRZGRNEQXJYNK-DYVFJYSZSA-N -1 3 365.441 3.163 20 0 FGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)CO[C@H]1CCCC[C@H]1C ZINC000735904785 598803731 /nfs/dbraw/zinc/80/37/31/598803731.db2.gz BIPUOLCLPNFWHW-CJNGLKHVSA-N -1 3 373.457 3.188 20 0 FGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)CO[C@H]1CCCC[C@H]1C ZINC000735904785 598803730 /nfs/dbraw/zinc/80/37/30/598803730.db2.gz BIPUOLCLPNFWHW-CJNGLKHVSA-N -1 3 373.457 3.188 20 0 FGADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCC2)[C@@H]1CSc2ccccc21 ZINC000738206146 599292871 /nfs/dbraw/zinc/29/28/71/599292871.db2.gz DPSNCLWRGWVNBF-LLVKDONJSA-N -1 3 369.475 3.245 20 0 FGADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCC2)[C@@H]1CSc2ccccc21 ZINC000738206146 599292874 /nfs/dbraw/zinc/29/28/74/599292874.db2.gz DPSNCLWRGWVNBF-LLVKDONJSA-N -1 3 369.475 3.245 20 0 FGADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ncc(C(C)(C)C)s1 ZINC000821613334 599297162 /nfs/dbraw/zinc/29/71/62/599297162.db2.gz IOBUZMWZNJDCNH-UHFFFAOYSA-N -1 3 371.470 3.285 20 0 FGADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ncc(C(C)(C)C)s1 ZINC000821613334 599297164 /nfs/dbraw/zinc/29/71/64/599297164.db2.gz IOBUZMWZNJDCNH-UHFFFAOYSA-N -1 3 371.470 3.285 20 0 FGADHM CC(C)(C)[C@H]1OCCC[C@@H]1CNc1nc2c(cc1-c1nnn[n-]1)CCC2 ZINC000735597985 599304798 /nfs/dbraw/zinc/30/47/98/599304798.db2.gz VQYBQZSAUBUAJI-CJNGLKHVSA-N -1 3 356.474 3.004 20 0 FGADHM CC(C)(C)[C@H]1OCCC[C@@H]1CNc1nc2c(cc1-c1nn[n-]n1)CCC2 ZINC000735597985 599304801 /nfs/dbraw/zinc/30/48/01/599304801.db2.gz VQYBQZSAUBUAJI-CJNGLKHVSA-N -1 3 356.474 3.004 20 0 FGADHM CC(C)(C)[C@H]1OCCC[C@H]1CNc1nc2c(cc1-c1nnn[n-]1)CCC2 ZINC000735597984 599305050 /nfs/dbraw/zinc/30/50/50/599305050.db2.gz VQYBQZSAUBUAJI-BBRMVZONSA-N -1 3 356.474 3.004 20 0 FGADHM CC(C)(C)[C@H]1OCCC[C@H]1CNc1nc2c(cc1-c1nn[n-]n1)CCC2 ZINC000735597984 599305052 /nfs/dbraw/zinc/30/50/52/599305052.db2.gz VQYBQZSAUBUAJI-BBRMVZONSA-N -1 3 356.474 3.004 20 0 FGADHM Cc1c(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cccc1N1CCOC1=O ZINC000822116062 599308755 /nfs/dbraw/zinc/30/87/55/599308755.db2.gz LWVGVIOAUJVZJO-ZDUSSCGKSA-N -1 3 364.409 3.305 20 0 FGADHM Cc1c(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cccc1N1CCOC1=O ZINC000822116062 599308758 /nfs/dbraw/zinc/30/87/58/599308758.db2.gz LWVGVIOAUJVZJO-ZDUSSCGKSA-N -1 3 364.409 3.305 20 0 FGADHM O=C(COC(=O)c1cc2sccc2s1)c1cccc(-c2nnn[n-]2)c1 ZINC000826416373 607368329 /nfs/dbraw/zinc/36/83/29/607368329.db2.gz WPLPKWKRSMONTL-UHFFFAOYSA-N -1 3 370.415 3.183 20 0 FGADHM O=C(COC(=O)c1cc2sccc2s1)c1cccc(-c2nn[n-]n2)c1 ZINC000826416373 607368330 /nfs/dbraw/zinc/36/83/30/607368330.db2.gz WPLPKWKRSMONTL-UHFFFAOYSA-N -1 3 370.415 3.183 20 0 FGADHM Cc1cc(C(=O)CS[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c(C)n1C ZINC000737226629 599329274 /nfs/dbraw/zinc/32/92/74/599329274.db2.gz DBIGQQLPCPCBQF-ZDUSSCGKSA-N -1 3 355.467 3.499 20 0 FGADHM Cc1cc(C(=O)CS[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c(C)n1C ZINC000737226629 599329276 /nfs/dbraw/zinc/32/92/76/599329276.db2.gz DBIGQQLPCPCBQF-ZDUSSCGKSA-N -1 3 355.467 3.499 20 0 FGADHM C[C@H](SCC(=O)N(C)c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736187808 599329884 /nfs/dbraw/zinc/32/98/84/599329884.db2.gz CBLKSVFCQLVOIK-ZDUSSCGKSA-N -1 3 353.451 3.324 20 0 FGADHM C[C@H](SCC(=O)N(C)c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736187808 599329886 /nfs/dbraw/zinc/32/98/86/599329886.db2.gz CBLKSVFCQLVOIK-ZDUSSCGKSA-N -1 3 353.451 3.324 20 0 FGADHM COc1cc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)ccc1NC(C)=O ZINC000821720288 599369923 /nfs/dbraw/zinc/36/99/23/599369923.db2.gz QIDBZYFRCCJOAX-LLVKDONJSA-N -1 3 352.398 3.007 20 0 FGADHM COc1cc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)ccc1NC(C)=O ZINC000821720288 599369926 /nfs/dbraw/zinc/36/99/26/599369926.db2.gz QIDBZYFRCCJOAX-LLVKDONJSA-N -1 3 352.398 3.007 20 0 FGADHM CSCCCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@H](C)C2 ZINC000737183378 599369964 /nfs/dbraw/zinc/36/99/64/599369964.db2.gz RPSMNEWGIDUUSV-VIFPVBQESA-N -1 3 351.501 3.135 20 0 FGADHM CSCCCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@H](C)C2 ZINC000737183378 599369966 /nfs/dbraw/zinc/36/99/66/599369966.db2.gz RPSMNEWGIDUUSV-VIFPVBQESA-N -1 3 351.501 3.135 20 0 FGADHM C[C@@H](Nc1ccc(N2CCCC2=O)c(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820455728 599376439 /nfs/dbraw/zinc/37/64/39/599376439.db2.gz MQIUAISHACURHJ-GFCCVEGCSA-N -1 3 366.400 3.306 20 0 FGADHM C[C@@H](Nc1ccc(N2CCCC2=O)c(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820455728 599376441 /nfs/dbraw/zinc/37/64/41/599376441.db2.gz MQIUAISHACURHJ-GFCCVEGCSA-N -1 3 366.400 3.306 20 0 FGADHM c1cnc2c(c1)cccc2OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000823738358 599381471 /nfs/dbraw/zinc/38/14/71/599381471.db2.gz SBPBTAPCCAYQTR-UHFFFAOYSA-N -1 3 371.360 3.044 20 0 FGADHM c1cnc2c(c1)cccc2OCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000823738358 599381474 /nfs/dbraw/zinc/38/14/74/599381474.db2.gz SBPBTAPCCAYQTR-UHFFFAOYSA-N -1 3 371.360 3.044 20 0 FGADHM COc1ccc(CCNc2cccc(Cl)c2-c2nnn[n-]2)cc1OC ZINC000821790921 599386498 /nfs/dbraw/zinc/38/64/98/599386498.db2.gz WORJMOZYILFNHM-UHFFFAOYSA-N -1 3 359.817 3.192 20 0 FGADHM COc1ccc(CCNc2cccc(Cl)c2-c2nn[n-]n2)cc1OC ZINC000821790921 599386501 /nfs/dbraw/zinc/38/65/01/599386501.db2.gz WORJMOZYILFNHM-UHFFFAOYSA-N -1 3 359.817 3.192 20 0 FGADHM Cc1cccc(C)c1NC(=O)COc1c(C)cc(-c2nn[n-]n2)cc1C ZINC000822293960 599389247 /nfs/dbraw/zinc/38/92/47/599389247.db2.gz RMFIMXXQGRTLIM-UHFFFAOYSA-N -1 3 351.410 3.118 20 0 FGADHM Fc1ccccc1OCCNc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000737668557 599395100 /nfs/dbraw/zinc/39/51/00/599395100.db2.gz HAHLDZMLHZBGNZ-UHFFFAOYSA-N -1 3 350.357 3.045 20 0 FGADHM Fc1ccccc1OCCNc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000737668557 599395103 /nfs/dbraw/zinc/39/51/03/599395103.db2.gz HAHLDZMLHZBGNZ-UHFFFAOYSA-N -1 3 350.357 3.045 20 0 FGADHM CC(C)CCOC1CCN(c2cc(-c3nnn[n-]3)c3ccccc3n2)CC1 ZINC000735819269 599410880 /nfs/dbraw/zinc/41/08/80/599410880.db2.gz HUWFHRFWGWCUSP-UHFFFAOYSA-N -1 3 366.469 3.446 20 0 FGADHM CC(C)CCOC1CCN(c2cc(-c3nn[n-]n3)c3ccccc3n2)CC1 ZINC000735819269 599410884 /nfs/dbraw/zinc/41/08/84/599410884.db2.gz HUWFHRFWGWCUSP-UHFFFAOYSA-N -1 3 366.469 3.446 20 0 FGADHM O=C(NCCCC1CCCCC1)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000823188053 599418212 /nfs/dbraw/zinc/41/82/12/599418212.db2.gz TZDMTZGPASVLMV-UHFFFAOYSA-N -1 3 360.437 3.166 20 0 FGADHM O=C(NCCCC1CCCCC1)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000823188053 599418214 /nfs/dbraw/zinc/41/82/14/599418214.db2.gz TZDMTZGPASVLMV-UHFFFAOYSA-N -1 3 360.437 3.166 20 0 FGADHM Clc1cc(Br)ccc1CNCc1ccc(-c2nnn[n-]2)o1 ZINC000822568681 599418998 /nfs/dbraw/zinc/41/89/98/599418998.db2.gz WGZBCTKUMYTNEO-UHFFFAOYSA-N -1 3 368.622 3.165 20 0 FGADHM Clc1cc(Br)ccc1CNCc1ccc(-c2nn[n-]n2)o1 ZINC000822568681 599419000 /nfs/dbraw/zinc/41/90/00/599419000.db2.gz WGZBCTKUMYTNEO-UHFFFAOYSA-N -1 3 368.622 3.165 20 0 FGADHM CN(Cc1ccccc1Cl)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000821614392 599458763 /nfs/dbraw/zinc/45/87/63/599458763.db2.gz DQPWXKCIXJTVQR-UHFFFAOYSA-N -1 3 374.807 3.001 20 0 FGADHM CN(Cc1ccccc1Cl)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000821614392 599458764 /nfs/dbraw/zinc/45/87/64/599458764.db2.gz DQPWXKCIXJTVQR-UHFFFAOYSA-N -1 3 374.807 3.001 20 0 FGADHM CCOc1cc2c(cc1CNc1ccc(F)cc1-c1nnn[n-]1)O[C@@H](C)C2 ZINC000821399898 599464511 /nfs/dbraw/zinc/46/45/11/599464511.db2.gz DQHCWUBZDGGXFO-NSHDSACASA-N -1 3 369.400 3.340 20 0 FGADHM CCOc1cc2c(cc1CNc1ccc(F)cc1-c1nn[n-]n1)O[C@@H](C)C2 ZINC000821399898 599464513 /nfs/dbraw/zinc/46/45/13/599464513.db2.gz DQHCWUBZDGGXFO-NSHDSACASA-N -1 3 369.400 3.340 20 0 FGADHM C[C@H](NC(=O)N(C)Cc1ccccc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000820339429 599473020 /nfs/dbraw/zinc/47/30/20/599473020.db2.gz BZWHZBUZAAPXDC-LBPRGKRZSA-N -1 3 370.844 3.423 20 0 FGADHM C[C@H](NC(=O)N(C)Cc1ccccc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000820339429 599473022 /nfs/dbraw/zinc/47/30/22/599473022.db2.gz BZWHZBUZAAPXDC-LBPRGKRZSA-N -1 3 370.844 3.423 20 0 FGADHM C[C@H](CN(C)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000820252757 599473195 /nfs/dbraw/zinc/47/31/95/599473195.db2.gz DEVDUSHOXRFLIT-CABCVRRESA-N -1 3 364.453 3.373 20 0 FGADHM C[C@H](CN(C)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000820252757 599473197 /nfs/dbraw/zinc/47/31/97/599473197.db2.gz DEVDUSHOXRFLIT-CABCVRRESA-N -1 3 364.453 3.373 20 0 FGADHM CCOCCOCc1cccc(CNc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000821383965 599473255 /nfs/dbraw/zinc/47/32/55/599473255.db2.gz NJKPAJOHJUIWSA-UHFFFAOYSA-N -1 3 371.416 3.171 20 0 FGADHM CCOCCOCc1cccc(CNc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000821383965 599473258 /nfs/dbraw/zinc/47/32/58/599473258.db2.gz NJKPAJOHJUIWSA-UHFFFAOYSA-N -1 3 371.416 3.171 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)O[C@@H](C)C(=O)c1ccc(Cl)cc1 ZINC000826251075 607381014 /nfs/dbraw/zinc/38/10/14/607381014.db2.gz DMUOCVFSWWMULS-NSHDSACASA-N -1 3 370.796 3.257 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)O[C@@H](C)C(=O)c1ccc(Cl)cc1 ZINC000826251075 607381016 /nfs/dbraw/zinc/38/10/16/607381016.db2.gz DMUOCVFSWWMULS-NSHDSACASA-N -1 3 370.796 3.257 20 0 FGADHM C[C@H](NC(=O)N1CCC[C@@H]1c1ccco1)c1cccc(-c2nnn[n-]2)c1 ZINC000820353034 599478966 /nfs/dbraw/zinc/47/89/66/599478966.db2.gz XHKNDUIKYFKDPK-SWLSCSKDSA-N -1 3 352.398 3.067 20 0 FGADHM C[C@H](NC(=O)N1CCC[C@@H]1c1ccco1)c1cccc(-c2nn[n-]n2)c1 ZINC000820353034 599478967 /nfs/dbraw/zinc/47/89/67/599478967.db2.gz XHKNDUIKYFKDPK-SWLSCSKDSA-N -1 3 352.398 3.067 20 0 FGADHM CCN(Cc1ccccc1)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821222380 599484249 /nfs/dbraw/zinc/48/42/49/599484249.db2.gz QFWXUWWXOFCIFM-CQSZACIVSA-N -1 3 350.426 3.159 20 0 FGADHM CCN(Cc1ccccc1)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821222380 599484251 /nfs/dbraw/zinc/48/42/51/599484251.db2.gz QFWXUWWXOFCIFM-CQSZACIVSA-N -1 3 350.426 3.159 20 0 FGADHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(N(C)C[C@H]3CCCCO3)c2c1 ZINC000822195374 599491061 /nfs/dbraw/zinc/49/10/61/599491061.db2.gz PYYVHNQUJXEVDK-CQSZACIVSA-N -1 3 352.442 3.037 20 0 FGADHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(N(C)C[C@H]3CCCCO3)c2c1 ZINC000822195374 599491063 /nfs/dbraw/zinc/49/10/63/599491063.db2.gz PYYVHNQUJXEVDK-CQSZACIVSA-N -1 3 352.442 3.037 20 0 FGADHM CC(C)CN(C(=O)CC[C@@H]1CC[C@H](C)O1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820081700 599494098 /nfs/dbraw/zinc/49/40/98/599494098.db2.gz RHWPMIFXDVSUBD-YOEHRIQHSA-N -1 3 357.458 3.203 20 0 FGADHM CC(C)CN(C(=O)CC[C@@H]1CC[C@H](C)O1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820081700 599494101 /nfs/dbraw/zinc/49/41/01/599494101.db2.gz RHWPMIFXDVSUBD-YOEHRIQHSA-N -1 3 357.458 3.203 20 0 FGADHM CN(C(=O)[C@H]1C[C@]12CCCc1ccccc12)c1cccc(-c2nnn[n-]2)c1 ZINC000821569663 599494869 /nfs/dbraw/zinc/49/48/69/599494869.db2.gz RJMUCMYCUPXWDV-NQIIRXRSSA-N -1 3 359.433 3.124 20 0 FGADHM CN(C(=O)[C@H]1C[C@]12CCCc1ccccc12)c1cccc(-c2nn[n-]n2)c1 ZINC000821569663 599494870 /nfs/dbraw/zinc/49/48/70/599494870.db2.gz RJMUCMYCUPXWDV-NQIIRXRSSA-N -1 3 359.433 3.124 20 0 FGADHM COc1ccc(CC[C@H](C)Nc2c(-c3nnn[n-]3)cnc3ccccc32)cc1 ZINC000821790789 599500482 /nfs/dbraw/zinc/50/04/82/599500482.db2.gz UGMHVPHZYNPAPR-AWEZNQCLSA-N -1 3 374.448 3.279 20 0 FGADHM COc1ccc(CC[C@H](C)Nc2c(-c3nn[n-]n3)cnc3ccccc32)cc1 ZINC000821790789 599500483 /nfs/dbraw/zinc/50/04/83/599500483.db2.gz UGMHVPHZYNPAPR-AWEZNQCLSA-N -1 3 374.448 3.279 20 0 FGADHM COc1ccccc1C(C)=CC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821883127 599500590 /nfs/dbraw/zinc/50/05/90/599500590.db2.gz QMNSUAQQKAMAPL-YBEMTRGBSA-N -1 3 363.421 3.156 20 0 FGADHM COc1ccccc1C(C)=CC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821883127 599500593 /nfs/dbraw/zinc/50/05/93/599500593.db2.gz QMNSUAQQKAMAPL-YBEMTRGBSA-N -1 3 363.421 3.156 20 0 FGADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)N1CCCCC[C@@H]1c1ccco1 ZINC000738116631 599505801 /nfs/dbraw/zinc/50/58/01/599505801.db2.gz JVBDCLBMRZTLJN-MRXNPFEDSA-N -1 3 366.425 3.287 20 0 FGADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)N1CCCCC[C@@H]1c1ccco1 ZINC000738116631 599505803 /nfs/dbraw/zinc/50/58/03/599505803.db2.gz JVBDCLBMRZTLJN-MRXNPFEDSA-N -1 3 366.425 3.287 20 0 FGADHM C[C@H](NC(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000820321011 599506453 /nfs/dbraw/zinc/50/64/53/599506453.db2.gz ATKZZYWFOBQNEJ-DRZCJDIDSA-N -1 3 369.375 3.126 20 0 FGADHM C[C@H](NC(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000820321011 599506456 /nfs/dbraw/zinc/50/64/56/599506456.db2.gz ATKZZYWFOBQNEJ-DRZCJDIDSA-N -1 3 369.375 3.126 20 0 FGADHM C[C@H](NC(=O)c1cnc(-c2ccco2)s1)c1cccc(-c2nnn[n-]2)c1 ZINC000820403370 599506933 /nfs/dbraw/zinc/50/69/33/599506933.db2.gz JJCUPRDIRDTGGL-JTQLQIEISA-N -1 3 366.406 3.074 20 0 FGADHM C[C@H](NC(=O)c1cnc(-c2ccco2)s1)c1cccc(-c2nn[n-]n2)c1 ZINC000820403370 599506934 /nfs/dbraw/zinc/50/69/34/599506934.db2.gz JJCUPRDIRDTGGL-JTQLQIEISA-N -1 3 366.406 3.074 20 0 FGADHM C[C@@H](NC(=O)C[C@H](C)c1ccccc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000820226044 599510640 /nfs/dbraw/zinc/51/06/40/599510640.db2.gz STEYJFMUPJOJNM-QWHCGFSZSA-N -1 3 353.401 3.377 20 0 FGADHM C[C@@H](NC(=O)C[C@H](C)c1ccccc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000820226044 599510641 /nfs/dbraw/zinc/51/06/41/599510641.db2.gz STEYJFMUPJOJNM-QWHCGFSZSA-N -1 3 353.401 3.377 20 0 FGADHM O[C@@H](CNc1ccc(-c2nn[n-]n2)cc1C(F)(F)F)c1ccc(F)cc1 ZINC000738383693 599522123 /nfs/dbraw/zinc/52/21/23/599522123.db2.gz PHJODUPYUCUBGS-AWEZNQCLSA-N -1 3 367.306 3.170 20 0 FGADHM Fc1ccccc1[C@@H]1CN(c2c(Cl)cccc2-c2nnn[n-]2)CCO1 ZINC000822796250 599522340 /nfs/dbraw/zinc/52/23/40/599522340.db2.gz NPBLUVBABRMTJQ-HNNXBMFYSA-N -1 3 359.792 3.237 20 0 FGADHM Fc1ccccc1[C@@H]1CN(c2c(Cl)cccc2-c2nn[n-]n2)CCO1 ZINC000822796250 599522342 /nfs/dbraw/zinc/52/23/42/599522342.db2.gz NPBLUVBABRMTJQ-HNNXBMFYSA-N -1 3 359.792 3.237 20 0 FGADHM Cc1ncsc1CN(C)c1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000737504217 599525201 /nfs/dbraw/zinc/52/52/01/599525201.db2.gz XLKDNZPIBGQVCN-UHFFFAOYSA-N -1 3 354.361 3.287 20 0 FGADHM CS[C@H](C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000821942061 599527030 /nfs/dbraw/zinc/52/70/30/599527030.db2.gz KUHTZEYWCGMGAF-WBMJQRKESA-N -1 3 353.451 3.148 20 0 FGADHM CS[C@H](C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000821942061 599527032 /nfs/dbraw/zinc/52/70/32/599527032.db2.gz KUHTZEYWCGMGAF-WBMJQRKESA-N -1 3 353.451 3.148 20 0 FGADHM C[C@@H](NC(=O)C=Cc1ccc2ccccc2n1)c1cccc(-c2nnn[n-]2)c1 ZINC000820321824 599530719 /nfs/dbraw/zinc/53/07/19/599530719.db2.gz MWHHLDVTHONVFM-GCZGRYASSA-N -1 3 370.416 3.306 20 0 FGADHM C[C@@H](NC(=O)C=Cc1ccc2ccccc2n1)c1cccc(-c2nn[n-]n2)c1 ZINC000820321824 599530721 /nfs/dbraw/zinc/53/07/21/599530721.db2.gz MWHHLDVTHONVFM-GCZGRYASSA-N -1 3 370.416 3.306 20 0 FGADHM C[C@@H](NC(=O)[C@@H](C)Cc1ccc(F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820293246 599533084 /nfs/dbraw/zinc/53/30/84/599533084.db2.gz JPKIVJPKWFUSME-QWHCGFSZSA-N -1 3 353.401 3.062 20 0 FGADHM C[C@@H](NC(=O)[C@@H](C)Cc1ccc(F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820293246 599533088 /nfs/dbraw/zinc/53/30/88/599533088.db2.gz JPKIVJPKWFUSME-QWHCGFSZSA-N -1 3 353.401 3.062 20 0 FGADHM C[C@H](NC(=O)CCc1ccc([C@@H]2C[C@@H]2C)o1)c1cccc(-c2nnn[n-]2)c1 ZINC000820327383 599533502 /nfs/dbraw/zinc/53/35/02/599533502.db2.gz GUMLHBDJAVMLTL-GDZNZVCISA-N -1 3 365.437 3.393 20 0 FGADHM C[C@H](NC(=O)CCc1ccc([C@@H]2C[C@@H]2C)o1)c1cccc(-c2nn[n-]n2)c1 ZINC000820327383 599533504 /nfs/dbraw/zinc/53/35/04/599533504.db2.gz GUMLHBDJAVMLTL-GDZNZVCISA-N -1 3 365.437 3.393 20 0 FGADHM Cc1oc(-c2ccccc2F)nc1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000155284082 599538433 /nfs/dbraw/zinc/53/84/33/599538433.db2.gz DLAWFNOCGXQHGR-UHFFFAOYSA-N -1 3 364.340 3.222 20 0 FGADHM Cc1oc(-c2ccccc2F)nc1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000155284082 599538434 /nfs/dbraw/zinc/53/84/34/599538434.db2.gz DLAWFNOCGXQHGR-UHFFFAOYSA-N -1 3 364.340 3.222 20 0 FGADHM C[C@@H]1CCN(C(=O)C=Cc2ccccc2-c2nnn[n-]2)[C@@H](c2ccco2)C1 ZINC000820715346 599549601 /nfs/dbraw/zinc/54/96/01/599549601.db2.gz AMKBKWYBMRPWTE-YSSGOKQJSA-N -1 3 363.421 3.473 20 0 FGADHM C[C@@H]1CCN(C(=O)C=Cc2ccccc2-c2nn[n-]n2)[C@@H](c2ccco2)C1 ZINC000820715346 599549603 /nfs/dbraw/zinc/54/96/03/599549603.db2.gz AMKBKWYBMRPWTE-YSSGOKQJSA-N -1 3 363.421 3.473 20 0 FGADHM CC[C@H]1CN(c2c(-c3nnn[n-]3)cnc3c(C)cc(C)cc32)C[C@@H](C)O1 ZINC000820995163 599549604 /nfs/dbraw/zinc/54/96/04/599549604.db2.gz NPZYIBVABMJHJP-KGLIPLIRSA-N -1 3 352.442 3.035 20 0 FGADHM CC[C@H]1CN(c2c(-c3nn[n-]n3)cnc3c(C)cc(C)cc32)C[C@@H](C)O1 ZINC000820995163 599549605 /nfs/dbraw/zinc/54/96/05/599549605.db2.gz NPZYIBVABMJHJP-KGLIPLIRSA-N -1 3 352.442 3.035 20 0 FGADHM CN(CCc1cccs1)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000821607267 599555824 /nfs/dbraw/zinc/55/58/24/599555824.db2.gz HBXXVZBJMDNRJL-UHFFFAOYSA-N -1 3 373.486 3.191 20 0 FGADHM CN(CCc1cccs1)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000821607267 599555828 /nfs/dbraw/zinc/55/58/28/599555828.db2.gz HBXXVZBJMDNRJL-UHFFFAOYSA-N -1 3 373.486 3.191 20 0 FGADHM C[C@H]1CCN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)[C@H](c2ccco2)C1 ZINC000820715711 599557221 /nfs/dbraw/zinc/55/72/21/599557221.db2.gz DKKUBYDBURLDGO-WFASDCNBSA-N -1 3 352.398 3.465 20 0 FGADHM C[C@H]1CCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)[C@H](c2ccco2)C1 ZINC000820715711 599557223 /nfs/dbraw/zinc/55/72/23/599557223.db2.gz DKKUBYDBURLDGO-WFASDCNBSA-N -1 3 352.398 3.465 20 0 FGADHM O=C(c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1)N1C[C@H]2CCC[C@H]21 ZINC000738273013 599574012 /nfs/dbraw/zinc/57/40/12/599574012.db2.gz JJJXXFRXHCVQLF-CRAIPNDOSA-N -1 3 360.421 3.235 20 0 FGADHM COC[C@@H](Nc1cc(C)c(-c2nnn[n-]2)c2nc3ccccc3n21)C(C)C ZINC000821683544 599588144 /nfs/dbraw/zinc/58/81/44/599588144.db2.gz DBDFNOKHXWDLGG-CQSZACIVSA-N -1 3 365.441 3.059 20 0 FGADHM COC[C@@H](Nc1cc(C)c(-c2nn[n-]n2)c2nc3ccccc3n21)C(C)C ZINC000821683544 599588147 /nfs/dbraw/zinc/58/81/47/599588147.db2.gz DBDFNOKHXWDLGG-CQSZACIVSA-N -1 3 365.441 3.059 20 0 FGADHM CC[C@@H](NC(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1F ZINC000736360991 599599646 /nfs/dbraw/zinc/59/96/46/599599646.db2.gz FEKXXFWSMXVWMI-OAHLLOKOSA-N -1 3 358.352 3.418 20 0 FGADHM CC[C@@H](NC(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1F ZINC000736360991 599599647 /nfs/dbraw/zinc/59/96/47/599599647.db2.gz FEKXXFWSMXVWMI-OAHLLOKOSA-N -1 3 358.352 3.418 20 0 FGADHM CC[C@@H](C)[C@H]1CCCCN1C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000736333783 599612970 /nfs/dbraw/zinc/61/29/70/599612970.db2.gz VCSJEZFISCCPBU-MLGOLLRUSA-N -1 3 360.437 3.116 20 0 FGADHM CC[C@@H](C)[C@H]1CCCCN1C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000736333783 599612972 /nfs/dbraw/zinc/61/29/72/599612972.db2.gz VCSJEZFISCCPBU-MLGOLLRUSA-N -1 3 360.437 3.116 20 0 FGADHM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)OCc1ccccc1-c1nnn[n-]1 ZINC000820938701 599620429 /nfs/dbraw/zinc/62/04/29/599620429.db2.gz MEEGOTNWQVLXSU-LXZKKBNFSA-N -1 3 358.442 3.284 20 0 FGADHM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)OCc1ccccc1-c1nn[n-]n1 ZINC000820938701 599620430 /nfs/dbraw/zinc/62/04/30/599620430.db2.gz MEEGOTNWQVLXSU-LXZKKBNFSA-N -1 3 358.442 3.284 20 0 FGADHM C[C@H](CCc1cccc(F)c1)C(=O)OCc1ccccc1-c1nnn[n-]1 ZINC000820254349 599621394 /nfs/dbraw/zinc/62/13/94/599621394.db2.gz OYEAHTWVXMJBGA-CYBMUJFWSA-N -1 3 354.385 3.318 20 0 FGADHM C[C@H](CCc1cccc(F)c1)C(=O)OCc1ccccc1-c1nn[n-]n1 ZINC000820254349 599621395 /nfs/dbraw/zinc/62/13/95/599621395.db2.gz OYEAHTWVXMJBGA-CYBMUJFWSA-N -1 3 354.385 3.318 20 0 FGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1)c1ccc(OC2CCC2)cc1 ZINC000823430215 599623621 /nfs/dbraw/zinc/62/36/21/599623621.db2.gz HVJSJZCQQIMKAH-UHFFFAOYSA-N -1 3 350.378 3.155 20 0 FGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1)c1ccc(OC2CCC2)cc1 ZINC000823430215 599623622 /nfs/dbraw/zinc/62/36/22/599623622.db2.gz HVJSJZCQQIMKAH-UHFFFAOYSA-N -1 3 350.378 3.155 20 0 FGADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)OCc1ccsc1 ZINC000822955515 599626431 /nfs/dbraw/zinc/62/64/31/599626431.db2.gz YMFRWDVXLDUHTQ-UHFFFAOYSA-N -1 3 358.423 3.221 20 0 FGADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)OCc1ccsc1 ZINC000822955515 599626432 /nfs/dbraw/zinc/62/64/32/599626432.db2.gz YMFRWDVXLDUHTQ-UHFFFAOYSA-N -1 3 358.423 3.221 20 0 FGADHM O=C(OCC1CCC(c2ccccc2)CC1)c1ccc(-c2nnn[n-]2)cn1 ZINC000823396923 599627521 /nfs/dbraw/zinc/62/75/21/599627521.db2.gz OZVWUBATJKKLEW-UHFFFAOYSA-N -1 3 363.421 3.393 20 0 FGADHM O=C(OCC1CCC(c2ccccc2)CC1)c1ccc(-c2nn[n-]n2)cn1 ZINC000823396923 599627522 /nfs/dbraw/zinc/62/75/22/599627522.db2.gz OZVWUBATJKKLEW-UHFFFAOYSA-N -1 3 363.421 3.393 20 0 FGADHM Cc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c(C)[nH]1 ZINC000822177288 599632201 /nfs/dbraw/zinc/63/22/01/599632201.db2.gz XAWCOXZIAJJNNK-UHFFFAOYSA-N -1 3 350.304 3.083 20 0 FGADHM Cc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c(C)[nH]1 ZINC000822177288 599632202 /nfs/dbraw/zinc/63/22/02/599632202.db2.gz XAWCOXZIAJJNNK-UHFFFAOYSA-N -1 3 350.304 3.083 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1cc(F)ccc1F ZINC000823303748 599632493 /nfs/dbraw/zinc/63/24/93/599632493.db2.gz UEJHSLBMGLZUQG-UHFFFAOYSA-N -1 3 369.253 3.416 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1cc(F)ccc1F ZINC000823303748 599632494 /nfs/dbraw/zinc/63/24/94/599632494.db2.gz UEJHSLBMGLZUQG-UHFFFAOYSA-N -1 3 369.253 3.416 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccc(F)cc1F ZINC000823303582 599634153 /nfs/dbraw/zinc/63/41/53/599634153.db2.gz NLQYBULHHSASDL-UHFFFAOYSA-N -1 3 369.253 3.416 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccc(F)cc1F ZINC000823303582 599634154 /nfs/dbraw/zinc/63/41/54/599634154.db2.gz NLQYBULHHSASDL-UHFFFAOYSA-N -1 3 369.253 3.416 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccc(Cl)cn1 ZINC000823303668 599634197 /nfs/dbraw/zinc/63/41/97/599634197.db2.gz QHXMJOKPSMCQJH-UHFFFAOYSA-N -1 3 368.706 3.186 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccc(Cl)cn1 ZINC000823303668 599634198 /nfs/dbraw/zinc/63/41/98/599634198.db2.gz QHXMJOKPSMCQJH-UHFFFAOYSA-N -1 3 368.706 3.186 20 0 FGADHM C[C@@H](CCOc1ccccc1)C(=O)OCc1ccccc1-c1nnn[n-]1 ZINC000820248992 599672366 /nfs/dbraw/zinc/67/23/66/599672366.db2.gz QLNYLDAWWWPECU-AWEZNQCLSA-N -1 3 352.394 3.015 20 0 FGADHM C[C@@H](CCOc1ccccc1)C(=O)OCc1ccccc1-c1nn[n-]n1 ZINC000820248992 599672367 /nfs/dbraw/zinc/67/23/67/599672367.db2.gz QLNYLDAWWWPECU-AWEZNQCLSA-N -1 3 352.394 3.015 20 0 FGADHM C[C@H](CCOc1ccccc1)C(=O)OCc1ccccc1-c1nnn[n-]1 ZINC000820248993 599672407 /nfs/dbraw/zinc/67/24/07/599672407.db2.gz QLNYLDAWWWPECU-CQSZACIVSA-N -1 3 352.394 3.015 20 0 FGADHM C[C@H](CCOc1ccccc1)C(=O)OCc1ccccc1-c1nn[n-]n1 ZINC000820248993 599672408 /nfs/dbraw/zinc/67/24/08/599672408.db2.gz QLNYLDAWWWPECU-CQSZACIVSA-N -1 3 352.394 3.015 20 0 FGADHM C[C@@H](CCOc1ccccc1)C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000820249758 599689365 /nfs/dbraw/zinc/68/93/65/599689365.db2.gz ZIYWYLINPVROTG-ZDUSSCGKSA-N -1 3 369.400 3.074 20 0 FGADHM C[C@@H](CCOc1ccccc1)C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000820249758 599689366 /nfs/dbraw/zinc/68/93/66/599689366.db2.gz ZIYWYLINPVROTG-ZDUSSCGKSA-N -1 3 369.400 3.074 20 0 FGADHM Cc1ccc2[nH]cc(CCC(=O)OCc3ccccc3-c3nnn[n-]3)c2c1 ZINC000822275210 599695064 /nfs/dbraw/zinc/69/50/64/599695064.db2.gz PXHNSLLFARGUAI-UHFFFAOYSA-N -1 3 361.405 3.332 20 0 FGADHM Cc1ccc2[nH]cc(CCC(=O)OCc3ccccc3-c3nn[n-]n3)c2c1 ZINC000822275210 599695065 /nfs/dbraw/zinc/69/50/65/599695065.db2.gz PXHNSLLFARGUAI-UHFFFAOYSA-N -1 3 361.405 3.332 20 0 FGADHM CCCCC[C@@H](O)CC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC000821048692 599698605 /nfs/dbraw/zinc/69/86/05/599698605.db2.gz FZTHSPWUDRJFDW-GOSISDBHSA-N -1 3 373.501 3.183 20 0 FGADHM CCCCC[C@@H](O)CC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC000821048692 599698606 /nfs/dbraw/zinc/69/86/06/599698606.db2.gz FZTHSPWUDRJFDW-GOSISDBHSA-N -1 3 373.501 3.183 20 0 FGADHM CC1CCN([C@H](CNC(=O)CCCN(C)C(=O)[O-])c2cccs2)CC1 ZINC000736796147 599724933 /nfs/dbraw/zinc/72/49/33/599724933.db2.gz DDELKYCSIIUALH-OAHLLOKOSA-N -1 3 367.515 3.027 20 0 FGADHM Cc1ccsc1CCCC(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826316225 607391656 /nfs/dbraw/zinc/39/16/56/607391656.db2.gz HYUIMQLSKPQYEC-UHFFFAOYSA-N -1 3 360.414 3.442 20 0 FGADHM Cc1ccsc1CCCC(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826316225 607391658 /nfs/dbraw/zinc/39/16/58/607391658.db2.gz HYUIMQLSKPQYEC-UHFFFAOYSA-N -1 3 360.414 3.442 20 0 FGADHM COc1cccc(CN(Cc2ccc(C(=O)[O-])o2)C2CCC(O)CC2)c1 ZINC000738097223 599772030 /nfs/dbraw/zinc/77/20/30/599772030.db2.gz MKAXISWMALIYRD-UHFFFAOYSA-N -1 3 359.422 3.292 20 0 FGADHM COC(=O)c1ccc(CN[C@H](C(=O)[O-])c2ccccc2C(F)(F)F)cc1 ZINC000737691480 599791622 /nfs/dbraw/zinc/79/16/22/599791622.db2.gz PAHFTXQRVNNHKK-HNNXBMFYSA-N -1 3 367.323 3.408 20 0 FGADHM Cc1cscc1NC(=O)NCCSCc1ccccc1-c1nnn[n-]1 ZINC000826321137 607396623 /nfs/dbraw/zinc/39/66/23/607396623.db2.gz RSEZOHDVLHLQIQ-UHFFFAOYSA-N -1 3 374.495 3.292 20 0 FGADHM Cc1cscc1NC(=O)NCCSCc1ccccc1-c1nn[n-]n1 ZINC000826321137 607396625 /nfs/dbraw/zinc/39/66/25/607396625.db2.gz RSEZOHDVLHLQIQ-UHFFFAOYSA-N -1 3 374.495 3.292 20 0 FGADHM CCc1nc(C)c([C@H](C)OC(=O)c2ccc(-c3nnn[n-]3)cc2C)s1 ZINC000825746053 607400447 /nfs/dbraw/zinc/40/04/47/607400447.db2.gz QTULLGHLXOLJNF-NSHDSACASA-N -1 3 357.439 3.420 20 0 FGADHM CCc1nc(C)c([C@H](C)OC(=O)c2ccc(-c3nn[n-]n3)cc2C)s1 ZINC000825746053 607400448 /nfs/dbraw/zinc/40/04/48/607400448.db2.gz QTULLGHLXOLJNF-NSHDSACASA-N -1 3 357.439 3.420 20 0 FGADHM Cc1ccc(CC(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)s1 ZINC000822235217 607402832 /nfs/dbraw/zinc/40/28/32/607402832.db2.gz XPFCVFCXOVIYDO-UHFFFAOYSA-N -1 3 357.439 3.205 20 0 FGADHM Cc1ccc(CC(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)s1 ZINC000822235217 607402833 /nfs/dbraw/zinc/40/28/33/607402833.db2.gz XPFCVFCXOVIYDO-UHFFFAOYSA-N -1 3 357.439 3.205 20 0 FGADHM CC(C)C(=O)N[C@H]1CCCN(Cc2c3ccccc3sc2C(=O)[O-])C1 ZINC000736345254 599937605 /nfs/dbraw/zinc/93/76/05/599937605.db2.gz MIAMVVZOKSEIMP-ZDUSSCGKSA-N -1 3 360.479 3.336 20 0 FGADHM C[C@@H](c1ccc(C(=O)[O-])o1)N(C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000736713329 599966635 /nfs/dbraw/zinc/96/66/35/599966635.db2.gz BBNNFYICCUNMDD-KBPBESRZSA-N -1 3 364.467 3.106 20 0 FGADHM CN(C(=O)CN1CCCC[C@H]1Cc1ccccc1)c1ccccc1C(=O)[O-] ZINC000737321970 600039064 /nfs/dbraw/zinc/03/90/64/600039064.db2.gz JCHYLDWOSMWUGX-SFHVURJKSA-N -1 3 366.461 3.445 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)C[C@H](C)c1cccc(F)c1 ZINC000821741073 607418553 /nfs/dbraw/zinc/41/85/53/607418553.db2.gz HNYNQZZOWWBESV-LBPRGKRZSA-N -1 3 370.384 3.251 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)C[C@H](C)c1cccc(F)c1 ZINC000821741073 607418555 /nfs/dbraw/zinc/41/85/55/607418555.db2.gz HNYNQZZOWWBESV-LBPRGKRZSA-N -1 3 370.384 3.251 20 0 FGADHM CC(C)=C[C@H]1[C@@H](C(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)C1(C)C ZINC000824177367 607419273 /nfs/dbraw/zinc/41/92/73/607419273.db2.gz HOPRNFLFFLTASO-HOTGVXAUSA-N -1 3 351.454 3.210 20 0 FGADHM CC(C)=C[C@H]1[C@@H](C(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)C1(C)C ZINC000824177367 607419274 /nfs/dbraw/zinc/41/92/74/607419274.db2.gz HOPRNFLFFLTASO-HOTGVXAUSA-N -1 3 351.454 3.210 20 0 FGADHM O=C(C=Cc1ccc(Cl)cc1)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826400050 607419678 /nfs/dbraw/zinc/41/96/78/607419678.db2.gz NTQDSZUQSDMVNA-RMKNXTFCSA-N -1 3 365.824 3.339 20 0 FGADHM O=C(C=Cc1ccc(Cl)cc1)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826400050 607419680 /nfs/dbraw/zinc/41/96/80/607419680.db2.gz NTQDSZUQSDMVNA-RMKNXTFCSA-N -1 3 365.824 3.339 20 0 FGADHM CC(C)Oc1ccc(NC(=O)N2C[C@@H](C)CC2(C)C)cc1-c1nnn[n-]1 ZINC000820743408 607426654 /nfs/dbraw/zinc/42/66/54/607426654.db2.gz UDCQDZYGZOKBCW-LBPRGKRZSA-N -1 3 358.446 3.306 20 0 FGADHM CC(C)Oc1ccc(NC(=O)N2C[C@@H](C)CC2(C)C)cc1-c1nn[n-]n1 ZINC000820743408 607426655 /nfs/dbraw/zinc/42/66/55/607426655.db2.gz UDCQDZYGZOKBCW-LBPRGKRZSA-N -1 3 358.446 3.306 20 0 FGADHM CC1CCC(N2CCN(C(=O)Nc3ccc(CC(=O)[O-])cc3)CC2)CC1 ZINC000736769720 600181955 /nfs/dbraw/zinc/18/19/55/600181955.db2.gz XHQAOXBDZCXAEY-UHFFFAOYSA-N -1 3 359.470 3.042 20 0 FGADHM CC(C)Oc1ccc(NC(=O)N(C)[C@@H](C)c2ccco2)cc1-c1nnn[n-]1 ZINC000820164809 607427325 /nfs/dbraw/zinc/42/73/25/607427325.db2.gz LUYCIIIIXDHOKU-LBPRGKRZSA-N -1 3 370.413 3.472 20 0 FGADHM CC(C)Oc1ccc(NC(=O)N(C)[C@@H](C)c2ccco2)cc1-c1nn[n-]n1 ZINC000820164809 607427326 /nfs/dbraw/zinc/42/73/26/607427326.db2.gz LUYCIIIIXDHOKU-LBPRGKRZSA-N -1 3 370.413 3.472 20 0 FGADHM CC(C)Oc1ccc(NC(=O)N2C[C@H]3CCCC[C@@H]3C2)cc1-c1nnn[n-]1 ZINC000820164090 607427349 /nfs/dbraw/zinc/42/73/49/607427349.db2.gz CLEIKHTVTVSJFV-ZIAGYGMSSA-N -1 3 370.457 3.308 20 0 FGADHM CC(C)Oc1ccc(NC(=O)N2C[C@H]3CCCC[C@@H]3C2)cc1-c1nn[n-]n1 ZINC000820164090 607427350 /nfs/dbraw/zinc/42/73/50/607427350.db2.gz CLEIKHTVTVSJFV-ZIAGYGMSSA-N -1 3 370.457 3.308 20 0 FGADHM CC(C)Oc1ccc(NC(=O)NC[C@@H]2CC=CCC2)cc1-c1nnn[n-]1 ZINC000820169589 607431461 /nfs/dbraw/zinc/43/14/61/607431461.db2.gz JYAVCCLLFCEFBN-CYBMUJFWSA-N -1 3 356.430 3.132 20 0 FGADHM CC(C)Oc1ccc(NC(=O)NC[C@@H]2CC=CCC2)cc1-c1nn[n-]n1 ZINC000820169589 607431463 /nfs/dbraw/zinc/43/14/63/607431463.db2.gz JYAVCCLLFCEFBN-CYBMUJFWSA-N -1 3 356.430 3.132 20 0 FGADHM COc1ccc(SCCC(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826211420 607437425 /nfs/dbraw/zinc/43/74/25/607437425.db2.gz BZFQTKXNFBMJLY-UHFFFAOYSA-N -1 3 369.450 3.021 20 0 FGADHM COc1ccc(SCCC(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826211420 607437427 /nfs/dbraw/zinc/43/74/27/607437427.db2.gz BZFQTKXNFBMJLY-UHFFFAOYSA-N -1 3 369.450 3.021 20 0 FGADHM CN(C(=O)c1ccc(F)cc1C(F)(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000825829459 607438805 /nfs/dbraw/zinc/43/88/05/607438805.db2.gz FOOMQDJTXXRIRS-UHFFFAOYSA-N -1 3 365.290 3.301 20 0 FGADHM CN(C(=O)c1ccc(F)cc1C(F)(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000825829459 607438806 /nfs/dbraw/zinc/43/88/06/607438806.db2.gz FOOMQDJTXXRIRS-UHFFFAOYSA-N -1 3 365.290 3.301 20 0 FGADHM Cc1cccc(CSCC(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826298078 607440773 /nfs/dbraw/zinc/44/07/73/607440773.db2.gz CJOBEEOFPUNKNZ-UHFFFAOYSA-N -1 3 353.451 3.071 20 0 FGADHM Cc1cccc(CSCC(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826298078 607440775 /nfs/dbraw/zinc/44/07/75/607440775.db2.gz CJOBEEOFPUNKNZ-UHFFFAOYSA-N -1 3 353.451 3.071 20 0 FGADHM Cc1cc(CN[C@](C)(CNC(=O)OC(C)(C)C)C(C)C)oc1C(=O)[O-] ZINC000738389655 600396443 /nfs/dbraw/zinc/39/64/43/600396443.db2.gz TWBVFRGRJBXHRD-GOSISDBHSA-N -1 3 354.447 3.315 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1C[C@@H](C)Sc2ccccc21 ZINC000826243987 607444191 /nfs/dbraw/zinc/44/41/91/607444191.db2.gz CQBOVSFQUDCBTB-GFCCVEGCSA-N -1 3 351.435 3.316 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1C[C@@H](C)Sc2ccccc21 ZINC000826243987 607444192 /nfs/dbraw/zinc/44/41/92/607444192.db2.gz CQBOVSFQUDCBTB-GFCCVEGCSA-N -1 3 351.435 3.316 20 0 FGADHM CC(C)N(CCC(=O)[O-])CC(=O)N(C)Cc1cc(Cl)cc(Cl)c1 ZINC000736465449 600444636 /nfs/dbraw/zinc/44/46/36/600444636.db2.gz GBGORMIKRIGOOL-UHFFFAOYSA-N -1 3 361.269 3.137 20 0 FGADHM CC[C@@H]1CCCC[C@H]1NC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000825195174 607453726 /nfs/dbraw/zinc/45/37/26/607453726.db2.gz UZISSNFLOQLKPS-CZUORRHYSA-N -1 3 354.458 3.124 20 0 FGADHM CC[C@@H]1CCCC[C@H]1NC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000825195174 607453728 /nfs/dbraw/zinc/45/37/28/607453728.db2.gz UZISSNFLOQLKPS-CZUORRHYSA-N -1 3 354.458 3.124 20 0 FGADHM O=C([O-])c1cc(Cl)cc(NC(=O)CC2(N3CCOCC3)CCCC2)c1 ZINC000739215878 600621241 /nfs/dbraw/zinc/62/12/41/600621241.db2.gz HURLHXDOBSTCEH-UHFFFAOYSA-N -1 3 366.845 3.012 20 0 FGADHM Cc1cc(CN[C@H](C)c2ccc3[nH]c(=O)[nH]c3c2)cc(C)c1OCC(=O)[O-] ZINC000738388053 600728786 /nfs/dbraw/zinc/72/87/86/600728786.db2.gz HQJUANQBHWVMAT-CYBMUJFWSA-N -1 3 369.421 3.200 20 0 FGADHM C[C@@H](c1ccc(-c2nn[n-]n2)cc1)N(C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000824763260 607470455 /nfs/dbraw/zinc/47/04/55/607470455.db2.gz MHVDRLGMZFFRKK-AWEZNQCLSA-N -1 3 359.437 3.450 20 0 FGADHM CC[C@@H](C)c1ccc(NC(=O)CN(CCC(=O)[O-])C2CCOCC2)cc1 ZINC000828764709 600857312 /nfs/dbraw/zinc/85/73/12/600857312.db2.gz MEJHODIFMSEWBG-OAHLLOKOSA-N -1 3 362.470 3.094 20 0 FGADHM CCOCCOCc1cccc(NCc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000821383299 607474979 /nfs/dbraw/zinc/47/49/79/607474979.db2.gz BSANNOQZPVADFB-UHFFFAOYSA-N -1 3 371.416 3.171 20 0 FGADHM CCOCCOCc1cccc(NCc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000821383299 607474982 /nfs/dbraw/zinc/47/49/82/607474982.db2.gz BSANNOQZPVADFB-UHFFFAOYSA-N -1 3 371.416 3.171 20 0 FGADHM C[C@@H]1C[C@H]1c1ccc(CN(Cc2ccnc(-c3nnn[n-]3)c2)C2CC2)o1 ZINC000824899473 607476219 /nfs/dbraw/zinc/47/62/19/607476219.db2.gz KFDTUITVFYBHNK-MLGOLLRUSA-N -1 3 350.426 3.143 20 0 FGADHM C[C@@H]1C[C@H]1c1ccc(CN(Cc2ccnc(-c3nn[n-]n3)c2)C2CC2)o1 ZINC000824899473 607476222 /nfs/dbraw/zinc/47/62/22/607476222.db2.gz KFDTUITVFYBHNK-MLGOLLRUSA-N -1 3 350.426 3.143 20 0 FGADHM CCn1c2ccccc2nc1[C@@H](C)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000821563755 607481695 /nfs/dbraw/zinc/48/16/95/607481695.db2.gz DNTNUJVABZOSBV-GFCCVEGCSA-N -1 3 365.416 3.226 20 0 FGADHM CCn1c2ccccc2nc1[C@@H](C)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000821563755 607481698 /nfs/dbraw/zinc/48/16/98/607481698.db2.gz DNTNUJVABZOSBV-GFCCVEGCSA-N -1 3 365.416 3.226 20 0 FGADHM C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000382596908 600966668 /nfs/dbraw/zinc/96/66/68/600966668.db2.gz NHXOKJVJFDDLOL-NEWSRXKRSA-N -1 3 358.482 3.000 20 0 FGADHM O=C([O-])[C@@H](c1ccccc1F)N1CCC(CC(=O)NC2CCCC2)CC1 ZINC000833098025 600991971 /nfs/dbraw/zinc/99/19/71/600991971.db2.gz WDHSNOSQBVTGRO-LJQANCHMSA-N -1 3 362.445 3.112 20 0 FGADHM Cc1ccc(CNCc2ccc(-c3nn[n-]n3)cc2F)c(OCC2CC2)c1 ZINC000822238899 607487321 /nfs/dbraw/zinc/48/73/21/607487321.db2.gz YZACJZDYJCIZKV-UHFFFAOYSA-N -1 3 367.428 3.393 20 0 FGADHM COc1ccc2c(CN[C@H](c3ccccc3)[C@@H](C)C(=O)[O-])cc(=O)oc2c1 ZINC000832487059 601202157 /nfs/dbraw/zinc/20/21/57/601202157.db2.gz NYYNVDPOXOAZQA-XCLFUZPHSA-N -1 3 367.401 3.353 20 0 FGADHM COc1ccc2c(CN[C@@H](c3ccccc3)[C@H](C)C(=O)[O-])cc(=O)oc2c1 ZINC000832487058 601202230 /nfs/dbraw/zinc/20/22/30/601202230.db2.gz NYYNVDPOXOAZQA-RNODOKPDSA-N -1 3 367.401 3.353 20 0 FGADHM C[C@H](C(=O)[O-])[C@H](NCC(=O)Nc1cc(Cl)ccc1F)c1ccccc1 ZINC000826054557 601203723 /nfs/dbraw/zinc/20/37/23/601203723.db2.gz OHDJPNQOPORFTP-GTNSWQLSSA-N -1 3 364.804 3.469 20 0 FGADHM Cc1oc(C(=O)[O-])cc1CN1CCC(C(=O)NCc2ccc(C)cc2)CC1 ZINC000832932353 601306703 /nfs/dbraw/zinc/30/67/03/601306703.db2.gz IADQOVFCADKGIV-UHFFFAOYSA-N -1 3 370.449 3.123 20 0 FGADHM C[C@@H]1CN([C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)C[C@H]1C(=O)[O-] ZINC000263388589 601505907 /nfs/dbraw/zinc/50/59/07/601505907.db2.gz YIYBEVPLXXGHEN-XWIAVFTESA-N -1 3 356.397 3.158 20 0 FGADHM C[C@@H]1CN(CCOc2ccc(Cl)cc2Br)C[C@@H]1C(=O)[O-] ZINC000111255726 601533128 /nfs/dbraw/zinc/53/31/28/601533128.db2.gz AEHXCEFVRMXNMZ-KOLCDFICSA-N -1 3 362.651 3.134 20 0 FGADHM Cc1ccc(CN[C@H](C(=O)[O-])c2cccc(Cl)c2)c(N2CCOCC2)c1 ZINC000832933464 601560781 /nfs/dbraw/zinc/56/07/81/601560781.db2.gz DAKULVHXDDRQOG-IBGZPJMESA-N -1 3 374.868 3.401 20 0 FGADHM Cc1sc(C(=O)[O-])cc1CN1CCC(C(=O)NCc2ccccc2)CC1 ZINC000833032489 601615487 /nfs/dbraw/zinc/61/54/87/601615487.db2.gz HQRWBJOGIMSKJK-UHFFFAOYSA-N -1 3 372.490 3.283 20 0 FGADHM CCN(CC)C(=O)C1(NCc2cc(C(=O)[O-])sc2C)CCCCC1 ZINC000829643216 601640750 /nfs/dbraw/zinc/64/07/50/601640750.db2.gz XCWDKKRYFBKJPQ-UHFFFAOYSA-N -1 3 352.500 3.416 20 0 FGADHM CSc1ccc(NC(=O)CN[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])cc1 ZINC000832780976 601654721 /nfs/dbraw/zinc/65/47/21/601654721.db2.gz NHGYMSRQQVSILB-SCLBCKFNSA-N -1 3 358.463 3.399 20 0 FGADHM CCN(Cc1ccccc1)C(=O)CN[C@@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000829722287 601655774 /nfs/dbraw/zinc/65/57/74/601655774.db2.gz JPABBBAWWGYMRG-OXJNMPFZSA-N -1 3 354.450 3.087 20 0 FGADHM O=C([O-])[C@@]1(NC(=O)CC2=CCCCC2)CCCN(Cc2ccccc2)C1 ZINC000833095692 601734744 /nfs/dbraw/zinc/73/47/44/601734744.db2.gz QPQNJKSMBHKHKE-OAQYLSRUSA-N -1 3 356.466 3.113 20 0 FGADHM C[C@H]1CN(Cc2ccsc2C(=O)[O-])CC[C@@H]1NC(=O)OC(C)(C)C ZINC000828462415 601828984 /nfs/dbraw/zinc/82/89/84/601828984.db2.gz JLIWMFIOBGLEBC-AAEUAGOBSA-N -1 3 354.472 3.181 20 0 FGADHM Cc1ccc2c(CN3CCC[C@@H](CN(C)C(=O)[O-])C3)cc(=O)oc2c1C ZINC000740157228 601855146 /nfs/dbraw/zinc/85/51/46/601855146.db2.gz XTIUXQXLSRSADM-HNNXBMFYSA-N -1 3 358.438 3.232 20 0 FGADHM CN(CCOc1ccc(F)cc1)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830791987 601904397 /nfs/dbraw/zinc/90/43/97/601904397.db2.gz KLBJMDHOCOBQRT-INIZCTEOSA-N -1 3 357.303 3.380 20 0 FGADHM COc1ccc(COc2ccc3ccccc3c2C=O)cc1-c1nnn[n-]1 ZINC000826207169 607540296 /nfs/dbraw/zinc/54/02/96/607540296.db2.gz CSXHOVPLDXBXHT-UHFFFAOYSA-N -1 3 360.373 3.420 20 0 FGADHM COc1ccc(COc2ccc3ccccc3c2C=O)cc1-c1nn[n-]n1 ZINC000826207169 607540297 /nfs/dbraw/zinc/54/02/97/607540297.db2.gz CSXHOVPLDXBXHT-UHFFFAOYSA-N -1 3 360.373 3.420 20 0 FGADHM CCC(C)(C)[C@@H]1CCCN1C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000825039092 607547655 /nfs/dbraw/zinc/54/76/55/607547655.db2.gz MFZLWKDYFLDBOV-HNNXBMFYSA-N -1 3 359.499 3.386 20 0 FGADHM CCC(C)(C)[C@@H]1CCCN1C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000825039092 607547656 /nfs/dbraw/zinc/54/76/56/607547656.db2.gz MFZLWKDYFLDBOV-HNNXBMFYSA-N -1 3 359.499 3.386 20 0 FGADHM Cc1sc(NC(=O)N(CCN(C)C)C2CCCC2)c(C(=O)[O-])c1C ZINC000324650175 602203044 /nfs/dbraw/zinc/20/30/44/602203044.db2.gz BZEPOSKTNWIXQA-UHFFFAOYSA-N -1 3 353.488 3.401 20 0 FGADHM Cc1cc(CN2CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)oc1C(=O)[O-] ZINC000832883511 602247152 /nfs/dbraw/zinc/24/71/52/602247152.db2.gz UKMJDGHZGIHLSQ-KBPBESRZSA-N -1 3 366.458 3.411 20 0 FGADHM C[C@H](NC(=O)[O-])[C@@H]1CCCCN1C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000739012515 602260976 /nfs/dbraw/zinc/26/09/76/602260976.db2.gz UWLAAEMAORATIO-CQDKDKBSSA-N -1 3 360.376 3.249 20 0 FGADHM CCC(CC)[C@H](CCNC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1)OC ZINC000825095113 607565753 /nfs/dbraw/zinc/56/57/53/607565753.db2.gz DGSUVVGVVJYGNU-DYVFJYSZSA-N -1 3 374.489 3.068 20 0 FGADHM CCC(CC)[C@H](CCNC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1)OC ZINC000825095113 607565754 /nfs/dbraw/zinc/56/57/54/607565754.db2.gz DGSUVVGVVJYGNU-DYVFJYSZSA-N -1 3 374.489 3.068 20 0 FGADHM Cc1sc(NC(=O)c2ccc3c(n2)CCCC3)c(-c2nnn[n-]2)c1C ZINC000826350252 607565990 /nfs/dbraw/zinc/56/59/90/607565990.db2.gz NWUMPUKBRMXLRM-UHFFFAOYSA-N -1 3 354.439 3.071 20 0 FGADHM Cc1sc(NC(=O)c2ccc3c(n2)CCCC3)c(-c2nn[n-]n2)c1C ZINC000826350252 607565991 /nfs/dbraw/zinc/56/59/91/607565991.db2.gz NWUMPUKBRMXLRM-UHFFFAOYSA-N -1 3 354.439 3.071 20 0 FGADHM Cc1ccc(CN(CCN(C)C)C(=O)c2ccc(F)c(NC(=O)[O-])c2)o1 ZINC000740125689 602508132 /nfs/dbraw/zinc/50/81/32/602508132.db2.gz FQRZXRTVCHJUIH-UHFFFAOYSA-N -1 3 363.389 3.021 20 0 FGADHM CN(C(=O)[O-])C1CCN(Cc2ccc(OCc3cccnc3)cc2)CC1 ZINC000737938332 602530130 /nfs/dbraw/zinc/53/01/30/602530130.db2.gz WNORUUGMJUNAKQ-UHFFFAOYSA-N -1 3 355.438 3.235 20 0 FGADHM O=C(c1cc(F)c(F)cc1F)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000826470591 607578386 /nfs/dbraw/zinc/57/83/86/607578386.db2.gz WBFQWODTEUKSIU-UHFFFAOYSA-N -1 3 373.338 3.089 20 0 FGADHM O=C(c1cc(F)c(F)cc1F)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000826470591 607578389 /nfs/dbraw/zinc/57/83/89/607578389.db2.gz WBFQWODTEUKSIU-UHFFFAOYSA-N -1 3 373.338 3.089 20 0 FGADHM C[C@@H](C(=O)N(CCN(C)C)c1ccccc1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823653595 602765951 /nfs/dbraw/zinc/76/59/51/602765951.db2.gz CDOZNWWNXOACSF-VQIMIIECSA-N -1 3 369.465 3.226 20 0 FGADHM CC1CCN([C@H](CNC(=O)CC(C)(C)NC(=O)[O-])c2cccs2)CC1 ZINC000739111463 602938037 /nfs/dbraw/zinc/93/80/37/602938037.db2.gz NLQXJBGURQUPOY-CQSZACIVSA-N -1 3 367.515 3.074 20 0 FGADHM O=C([O-])Nc1ccc(F)c(NC(=O)N[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000740707439 603043558 /nfs/dbraw/zinc/04/35/58/603043558.db2.gz QIEQQWWFRBFHCI-HNNXBMFYSA-N -1 3 372.400 3.312 20 0 FGADHM Cc1ccc(C(=O)N2CCN(CC3CCCCC3)CC2)cc1NC(=O)[O-] ZINC000830199511 603425723 /nfs/dbraw/zinc/42/57/23/603425723.db2.gz ZOWNTEAIVBOLQV-UHFFFAOYSA-N -1 3 359.470 3.423 20 0 FGADHM CC[C@@H](NCc1ccc(NC(=O)[O-])nc1)[C@H](O)c1c(F)cccc1F ZINC000826620316 603560878 /nfs/dbraw/zinc/56/08/78/603560878.db2.gz QSHCTOSFLCOGFW-CJNGLKHVSA-N -1 3 351.353 3.052 20 0 FGADHM CC[C@@H](C)NC(=S)N(Cc1ccccc1-c1nnn[n-]1)C1CCCC1 ZINC000825068806 607647825 /nfs/dbraw/zinc/64/78/25/607647825.db2.gz WVQRISOKHLLSKU-CYBMUJFWSA-N -1 3 358.515 3.284 20 0 FGADHM CC[C@@H](C)NC(=S)N(Cc1ccccc1-c1nn[n-]n1)C1CCCC1 ZINC000825068806 607647827 /nfs/dbraw/zinc/64/78/27/607647827.db2.gz WVQRISOKHLLSKU-CYBMUJFWSA-N -1 3 358.515 3.284 20 0 FGADHM Cc1cc(Br)ccc1NC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000826256678 607650994 /nfs/dbraw/zinc/65/09/94/607650994.db2.gz VITKSIFDVAGWDN-UHFFFAOYSA-N -1 3 372.226 3.498 20 0 FGADHM Cc1cc(Br)ccc1NC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000826256678 607650995 /nfs/dbraw/zinc/65/09/95/607650995.db2.gz VITKSIFDVAGWDN-UHFFFAOYSA-N -1 3 372.226 3.498 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCCSc2ccccc21 ZINC000826245092 607656458 /nfs/dbraw/zinc/65/64/58/607656458.db2.gz NSDGUZZYLPTIHC-UHFFFAOYSA-N -1 3 351.435 3.318 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCCSc2ccccc21 ZINC000826245092 607656460 /nfs/dbraw/zinc/65/64/60/607656460.db2.gz NSDGUZZYLPTIHC-UHFFFAOYSA-N -1 3 351.435 3.318 20 0 FGADHM COc1ccc([C@@H](NC(=O)c2ccc(-c3nnn[n-]3)cc2C)C2CC2)cc1 ZINC000826189594 607658172 /nfs/dbraw/zinc/65/81/72/607658172.db2.gz YYZOSUKWIJVUGI-SFHVURJKSA-N -1 3 363.421 3.065 20 0 FGADHM COc1ccc([C@@H](NC(=O)c2ccc(-c3nn[n-]n3)cc2C)C2CC2)cc1 ZINC000826189594 607658174 /nfs/dbraw/zinc/65/81/74/607658174.db2.gz YYZOSUKWIJVUGI-SFHVURJKSA-N -1 3 363.421 3.065 20 0 FGADHM C[C@H]1C[C@H](NC(=O)c2cccc(NC(=O)[O-])c2)CN1Cc1ccccc1 ZINC000825851098 603967439 /nfs/dbraw/zinc/96/74/39/603967439.db2.gz GHVUQKLMDKIABI-KSSFIOAISA-N -1 3 353.422 3.169 20 0 FGADHM C[C@H](Cc1cccc(Br)c1)Nc1ccc(-c2nnn[n-]2)nc1 ZINC000824458713 607667174 /nfs/dbraw/zinc/66/71/74/607667174.db2.gz XVIKNUCUBRDBNA-SNVBAGLBSA-N -1 3 359.231 3.067 20 0 FGADHM C[C@H](Cc1cccc(Br)c1)Nc1ccc(-c2nn[n-]n2)nc1 ZINC000824458713 607667175 /nfs/dbraw/zinc/66/71/75/607667175.db2.gz XVIKNUCUBRDBNA-SNVBAGLBSA-N -1 3 359.231 3.067 20 0 FGADHM O=C([O-])N1CCC[C@@H]1[C@@H]1CCCN(C[C@@H](O)c2cccc(Cl)c2)C1 ZINC000832004083 604038079 /nfs/dbraw/zinc/03/80/79/604038079.db2.gz CRXAQXGMKZLGMU-DJIMGWMZSA-N -1 3 352.862 3.228 20 0 FGADHM O=C([O-])NC[C@H]1CCCN1Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000832572880 604079926 /nfs/dbraw/zinc/07/99/26/604079926.db2.gz IYRSKJGMSHHTJC-GOSISDBHSA-N -1 3 353.422 3.171 20 0 FGADHM O=C([O-])c1ccc(C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)cc1F ZINC000833125920 604287361 /nfs/dbraw/zinc/28/73/61/604287361.db2.gz HCLDPKZVDRONDJ-IBGZPJMESA-N -1 3 370.424 3.481 20 0 FGADHM O=C([O-])CCc1ccc(NC(=O)N2CCN(C3CCCCC3)CC2)cc1 ZINC000833239155 604336366 /nfs/dbraw/zinc/33/63/66/604336366.db2.gz YVZHNDDPRRKCPJ-UHFFFAOYSA-N -1 3 359.470 3.186 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCS[C@@H](c2ccccc2)C1 ZINC000826246268 607692369 /nfs/dbraw/zinc/69/23/69/607692369.db2.gz YPDIXHSVGMHHCA-QGZVFWFLSA-N -1 3 365.462 3.105 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCS[C@@H](c2ccccc2)C1 ZINC000826246268 607692371 /nfs/dbraw/zinc/69/23/71/607692371.db2.gz YPDIXHSVGMHHCA-QGZVFWFLSA-N -1 3 365.462 3.105 20 0 FGADHM O=C([O-])[C@@H]1Cc2ccccc2CN1Cc1ccc(Oc2cnccn2)cc1 ZINC000833193984 604467497 /nfs/dbraw/zinc/46/74/97/604467497.db2.gz WCYMZTXIBOQXLU-IBGZPJMESA-N -1 3 361.401 3.280 20 0 FGADHM CN(Cc1ccc(OCC(F)(F)F)nc1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000830840828 604477133 /nfs/dbraw/zinc/47/71/33/604477133.db2.gz SDXSJSVUJROADN-OAHLLOKOSA-N -1 3 354.328 3.280 20 0 FGADHM CN(C(=O)CNC1(C(=O)[O-])CCCCCC1)[C@@H]1CCCc2ccccc21 ZINC000833686559 604481937 /nfs/dbraw/zinc/48/19/37/604481937.db2.gz ZNLXZJYPCJFAKD-GOSISDBHSA-N -1 3 358.482 3.290 20 0 FGADHM CN(C(=O)CNC1(C(=O)[O-])CCCCCC1)[C@H]1CCCc2ccccc21 ZINC000833686560 604482085 /nfs/dbraw/zinc/48/20/85/604482085.db2.gz ZNLXZJYPCJFAKD-SFHVURJKSA-N -1 3 358.482 3.290 20 0 FGADHM C[C@@H](Oc1ccc(CN2CCC([C@@H](O)c3ccccc3)CC2)cc1)C(=O)[O-] ZINC000833539578 604525415 /nfs/dbraw/zinc/52/54/15/604525415.db2.gz HQCDIORJARIWBC-IERDGZPVSA-N -1 3 369.461 3.484 20 0 FGADHM C[C@H](Oc1ccc(CN2CCC([C@@H](O)c3ccccc3)CC2)cc1)C(=O)[O-] ZINC000833539580 604525479 /nfs/dbraw/zinc/52/54/79/604525479.db2.gz HQCDIORJARIWBC-KKSFZXQISA-N -1 3 369.461 3.484 20 0 FGADHM CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)c2ccc(-c3nnn[n-]3)[nH]2)cc1 ZINC000824136609 607700786 /nfs/dbraw/zinc/70/07/86/607700786.db2.gz REDRISIOCSTCLG-KRWDZBQOSA-N -1 3 364.453 3.470 20 0 FGADHM CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)c2ccc(-c3nn[n-]n3)[nH]2)cc1 ZINC000824136609 607700788 /nfs/dbraw/zinc/70/07/88/607700788.db2.gz REDRISIOCSTCLG-KRWDZBQOSA-N -1 3 364.453 3.470 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NC[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000826247405 607702160 /nfs/dbraw/zinc/70/21/60/607702160.db2.gz BTRNISSAYJPYBR-DGCLKSJQSA-N -1 3 367.375 3.274 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NC[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000826247405 607702161 /nfs/dbraw/zinc/70/21/61/607702161.db2.gz BTRNISSAYJPYBR-DGCLKSJQSA-N -1 3 367.375 3.274 20 0 FGADHM C[C@H](CC(=O)N(C)c1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1F ZINC000824384450 607706532 /nfs/dbraw/zinc/70/65/32/607706532.db2.gz BSQSGFZHRRNHOY-LLVKDONJSA-N -1 3 357.364 3.302 20 0 FGADHM C[C@H](CC(=O)N(C)c1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1F ZINC000824384450 607706534 /nfs/dbraw/zinc/70/65/34/607706534.db2.gz BSQSGFZHRRNHOY-LLVKDONJSA-N -1 3 357.364 3.302 20 0 FGADHM C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)Cc1cccc(C(=O)[O-])c1 ZINC000833615411 604770188 /nfs/dbraw/zinc/77/01/88/604770188.db2.gz CRHIUVVNFPNLKT-KRWDZBQOSA-N -1 3 366.461 3.050 20 0 FGADHM C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)c2ccc(C(=O)[O-])c(F)c2)C1 ZINC000827951002 604814366 /nfs/dbraw/zinc/81/43/66/604814366.db2.gz UQRVYCLIXIQYSS-BBRMVZONSA-N -1 3 356.397 3.089 20 0 FGADHM O=C([O-])c1ccc(C(=O)NC[C@H]2CCCCN2Cc2ccccc2)cc1F ZINC000833141540 604815711 /nfs/dbraw/zinc/81/57/11/604815711.db2.gz VWFQYBNJSBHIJA-QGZVFWFLSA-N -1 3 370.424 3.308 20 0 FGADHM CCCc1c(C(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)[nH]c(C)c1C(=O)[O-] ZINC000833652983 604861056 /nfs/dbraw/zinc/86/10/56/604861056.db2.gz LCNGEMLWPUMEAI-APWZRJJASA-N -1 3 369.465 3.149 20 0 FGADHM CN(C(=O)c1ccc(F)c(NC(=O)[O-])c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000827939303 604899434 /nfs/dbraw/zinc/89/94/34/604899434.db2.gz WSIPNTUFNWQVAN-MRXNPFEDSA-N -1 3 371.412 3.262 20 0 FGADHM C[C@@H](C(=O)Nc1ccc(F)c(F)c1)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000833410174 604942304 /nfs/dbraw/zinc/94/23/04/604942304.db2.gz VVHLVZKNIDLLDH-RYUDHWBXSA-N -1 3 354.397 3.115 20 0 FGADHM CCc1cccc(CC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)c1 ZINC000825721850 607724223 /nfs/dbraw/zinc/72/42/23/607724223.db2.gz BDYQWBDVWGEZMI-UHFFFAOYSA-N -1 3 373.363 3.212 20 0 FGADHM CCc1cccc(CC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)c1 ZINC000825721850 607724226 /nfs/dbraw/zinc/72/42/26/607724226.db2.gz BDYQWBDVWGEZMI-UHFFFAOYSA-N -1 3 373.363 3.212 20 0 FGADHM CN(C(=O)CN[C@H](c1ccccc1)C1CCC1)c1ccccc1C(=O)[O-] ZINC000833685177 604948550 /nfs/dbraw/zinc/94/85/50/604948550.db2.gz BVDOBRZJHVYQBH-HXUWFJFHSA-N -1 3 352.434 3.479 20 0 FGADHM COCc1cccc(CN2CCN(c3ccc(C(=O)[O-])cc3)C[C@H]2C)c1 ZINC000833725858 604973643 /nfs/dbraw/zinc/97/36/43/604973643.db2.gz JXVAMTLMAQNCIF-MRXNPFEDSA-N -1 3 354.450 3.242 20 0 FGADHM CCSc1ccc(CC(=O)OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000825674670 607728106 /nfs/dbraw/zinc/72/81/06/607728106.db2.gz PTNBKOPTXMJKNM-UHFFFAOYSA-N -1 3 354.435 3.265 20 0 FGADHM CCSc1ccc(CC(=O)OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000825674670 607728108 /nfs/dbraw/zinc/72/81/08/607728108.db2.gz PTNBKOPTXMJKNM-UHFFFAOYSA-N -1 3 354.435 3.265 20 0 FGADHM C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1Cc1ccc(C(=O)[O-])c(F)c1 ZINC000833594684 605085891 /nfs/dbraw/zinc/08/58/91/605085891.db2.gz FVOKTMHHSNCKPB-JSGCOSHPSA-N -1 3 366.433 3.259 20 0 FGADHM O=C([O-])c1ccc(OC[C@H](O)CNC2(c3cccc(Cl)c3)CC2)cc1 ZINC000833782376 605144321 /nfs/dbraw/zinc/14/43/21/605144321.db2.gz NDTZNGGVAKMHFF-MRXNPFEDSA-N -1 3 361.825 3.057 20 0 FGADHM CCOc1ccc([C@H](C)N[C@@H](C(=O)[O-])c2cccc(C(=O)OC)c2)cc1 ZINC000833664325 605194727 /nfs/dbraw/zinc/19/47/27/605194727.db2.gz SBNXMLCFTLHNPV-SCLBCKFNSA-N -1 3 357.406 3.348 20 0 FGADHM Cc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)cc1OCCC(C)C ZINC000826291128 607742155 /nfs/dbraw/zinc/74/21/55/607742155.db2.gz QMLNSWIIEDDQHW-UHFFFAOYSA-N -1 3 354.414 3.180 20 0 FGADHM Cc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)cc1OCCC(C)C ZINC000826291128 607742156 /nfs/dbraw/zinc/74/21/56/607742156.db2.gz QMLNSWIIEDDQHW-UHFFFAOYSA-N -1 3 354.414 3.180 20 0 FGADHM O=C([O-])N[C@@H]1CCC[C@@H]2CN(Cc3ncc(-c4ccc(F)cc4)o3)C[C@H]21 ZINC000834181224 605432251 /nfs/dbraw/zinc/43/22/51/605432251.db2.gz LNWPJONVCFBMKI-FVQBIDKESA-N -1 3 359.401 3.349 20 0 FGADHM CC1(C)CCC(=CC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)CC1 ZINC000824797482 607756930 /nfs/dbraw/zinc/75/69/30/607756930.db2.gz YTLYRKWWBDPHHX-UHFFFAOYSA-N -1 3 351.454 3.499 20 0 FGADHM CC1(C)CCC(=CC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)CC1 ZINC000824797482 607756931 /nfs/dbraw/zinc/75/69/31/607756931.db2.gz YTLYRKWWBDPHHX-UHFFFAOYSA-N -1 3 351.454 3.499 20 0 FGADHM CCc1oc(C(=O)[O-])cc1CN1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000833678903 605476133 /nfs/dbraw/zinc/47/61/33/605476133.db2.gz REZSYUPJKYWGEI-QWHCGFSZSA-N -1 3 366.458 3.275 20 0 FGADHM CC=C(C=CC(=O)Nc1ccc(NC(=O)OCC)c(-c2nnn[n-]2)c1)CC ZINC000825029719 607761879 /nfs/dbraw/zinc/76/18/79/607761879.db2.gz YPZMOBQUOBHUBE-FFKWBEBTSA-N -1 3 370.413 3.286 20 0 FGADHM CC=C(C=CC(=O)Nc1ccc(NC(=O)OCC)c(-c2nn[n-]n2)c1)CC ZINC000825029719 607761880 /nfs/dbraw/zinc/76/18/80/607761880.db2.gz YPZMOBQUOBHUBE-FFKWBEBTSA-N -1 3 370.413 3.286 20 0 FGADHM CN(C)Cc1cccc(NC(=O)NCc2ccc(C(=O)[O-])c(C3CC3)n2)c1 ZINC000833689400 605631864 /nfs/dbraw/zinc/63/18/64/605631864.db2.gz ABZZKUVLWFADTN-UHFFFAOYSA-N -1 3 368.437 3.041 20 0 FGADHM O=C(Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)[C@@H]1Cc2ccccc21 ZINC000826459247 607768941 /nfs/dbraw/zinc/76/89/41/607768941.db2.gz BLKZAKGUHDLKQU-OAHLLOKOSA-N -1 3 374.429 3.269 20 0 FGADHM O=C(Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)[C@@H]1Cc2ccccc21 ZINC000826459247 607768942 /nfs/dbraw/zinc/76/89/42/607768942.db2.gz BLKZAKGUHDLKQU-OAHLLOKOSA-N -1 3 374.429 3.269 20 0 FGADHM O=C(CCC(F)(F)F)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000826405368 607771540 /nfs/dbraw/zinc/77/15/40/607771540.db2.gz DADUQBPYXFIAHH-UHFFFAOYSA-N -1 3 368.344 3.271 20 0 FGADHM O=C(CCC(F)(F)F)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826405368 607771541 /nfs/dbraw/zinc/77/15/41/607771541.db2.gz DADUQBPYXFIAHH-UHFFFAOYSA-N -1 3 368.344 3.271 20 0 FGADHM CCc1ccc(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)cc1F ZINC000825712996 607772205 /nfs/dbraw/zinc/77/22/05/607772205.db2.gz YVLHTMJAGOIVKW-UHFFFAOYSA-N -1 3 357.414 3.299 20 0 FGADHM CCc1ccc(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000825712996 607772206 /nfs/dbraw/zinc/77/22/06/607772206.db2.gz YVLHTMJAGOIVKW-UHFFFAOYSA-N -1 3 357.414 3.299 20 0 FGADHM O=C([O-])N[C@@H]1C[C@H](NCc2ccccc2Cn2ccnc2)c2ccccc21 ZINC000834159785 605790327 /nfs/dbraw/zinc/79/03/27/605790327.db2.gz XJSOYZCVXAJPON-VQTJNVASSA-N -1 3 362.433 3.475 20 0 FGADHM O=C([O-])Nc1ccccc1CC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000834273342 606043402 /nfs/dbraw/zinc/04/34/02/606043402.db2.gz PPLIPXCEAVGBLN-INIZCTEOSA-N -1 3 373.478 3.334 20 0 FGADHM O=C([O-])Nc1ccccc1CC(=O)O[C@@H]1CCN(Cc2ccccc2)C1 ZINC000834274234 606093756 /nfs/dbraw/zinc/09/37/56/606093756.db2.gz GGUUJYCIVLTBME-QGZVFWFLSA-N -1 3 354.406 3.137 20 0 FGADHM c1ccc(OC[C@H](Nc2ncccc2-c2nnn[n-]2)c2ccccc2)cc1 ZINC000823792027 606104810 /nfs/dbraw/zinc/10/48/10/606104810.db2.gz NEPMQPDWKMZOAK-SFHVURJKSA-N -1 3 358.405 3.494 20 0 FGADHM c1ccc(OC[C@H](Nc2ncccc2-c2nn[n-]n2)c2ccccc2)cc1 ZINC000823792027 606104812 /nfs/dbraw/zinc/10/48/12/606104812.db2.gz NEPMQPDWKMZOAK-SFHVURJKSA-N -1 3 358.405 3.494 20 0 FGADHM CCN(CC(=O)Nc1sc(C)c(C)c1-c1nnn[n-]1)c1ccc(C)cc1 ZINC000821170114 606110200 /nfs/dbraw/zinc/11/02/00/606110200.db2.gz MSNJMQXJIIZSCK-UHFFFAOYSA-N -1 3 370.482 3.318 20 0 FGADHM CCN(CC(=O)Nc1sc(C)c(C)c1-c1nn[n-]n1)c1ccc(C)cc1 ZINC000821170114 606110202 /nfs/dbraw/zinc/11/02/02/606110202.db2.gz MSNJMQXJIIZSCK-UHFFFAOYSA-N -1 3 370.482 3.318 20 0 FGADHM CCC(C)(C)NC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000820848412 606114819 /nfs/dbraw/zinc/11/48/19/606114819.db2.gz XLKRDGGUNIOQBS-UHFFFAOYSA-N -1 3 367.413 3.364 20 0 FGADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)N1C[C@H]2CCCC[C@@H]2C1 ZINC000822955317 606120459 /nfs/dbraw/zinc/12/04/59/606120459.db2.gz PRUSNNXBEMUNSF-IAGOWNOFSA-N -1 3 369.469 3.064 20 0 FGADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)N1C[C@H]2CCCC[C@@H]2C1 ZINC000822955317 606120460 /nfs/dbraw/zinc/12/04/60/606120460.db2.gz PRUSNNXBEMUNSF-IAGOWNOFSA-N -1 3 369.469 3.064 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)C/C=C/c1cccc(F)c1 ZINC000821390293 606123030 /nfs/dbraw/zinc/12/30/30/606123030.db2.gz XEPFRWABFIXBHF-GQCTYLIASA-N -1 3 368.368 3.413 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)C/C=C/c1cccc(F)c1 ZINC000821390293 606123031 /nfs/dbraw/zinc/12/30/31/606123031.db2.gz XEPFRWABFIXBHF-GQCTYLIASA-N -1 3 368.368 3.413 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)[C@H]1CC12CCCC2 ZINC000821390229 606147485 /nfs/dbraw/zinc/14/74/85/606147485.db2.gz URZRUWBYEUZOBQ-LLVKDONJSA-N -1 3 362.817 3.405 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)[C@H]1CC12CCCC2 ZINC000821390229 606147487 /nfs/dbraw/zinc/14/74/87/606147487.db2.gz URZRUWBYEUZOBQ-LLVKDONJSA-N -1 3 362.817 3.405 20 0 FGADHM O=C(C/C=C\c1ccc(F)cc1)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000822945704 606147960 /nfs/dbraw/zinc/14/79/60/606147960.db2.gz OELOKXHEWWLOOD-UPHRSURJSA-N -1 3 356.332 3.292 20 0 FGADHM O=C(C/C=C\c1ccc(F)cc1)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000822945704 606147962 /nfs/dbraw/zinc/14/79/62/606147962.db2.gz OELOKXHEWWLOOD-UPHRSURJSA-N -1 3 356.332 3.292 20 0 FGADHM CCS[C@H]1CCCC[C@@H]1NC(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000821456183 606151664 /nfs/dbraw/zinc/15/16/64/606151664.db2.gz NZGACGXHLDOHEX-ZFWWWQNUSA-N -1 3 360.487 3.361 20 0 FGADHM CCS[C@H]1CCCC[C@@H]1NC(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000821456183 606151667 /nfs/dbraw/zinc/15/16/67/606151667.db2.gz NZGACGXHLDOHEX-ZFWWWQNUSA-N -1 3 360.487 3.361 20 0 FGADHM CC1(C)CCC[C@H]1NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000820589664 606176500 /nfs/dbraw/zinc/17/65/00/606176500.db2.gz JUYCQMFDCQYVRR-MRXNPFEDSA-N -1 3 354.458 3.119 20 0 FGADHM CC1(C)CCC[C@H]1NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000820589664 606176501 /nfs/dbraw/zinc/17/65/01/606176501.db2.gz JUYCQMFDCQYVRR-MRXNPFEDSA-N -1 3 354.458 3.119 20 0 FGADHM C[C@H](SCC(=O)N1[C@H](C)CCC[C@H]1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820550302 606179162 /nfs/dbraw/zinc/17/91/62/606179162.db2.gz WJVZAEJJIZZHMT-MCIONIFRSA-N -1 3 359.499 3.450 20 0 FGADHM C[C@H](SCC(=O)N1[C@H](C)CCC[C@H]1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820550302 606179163 /nfs/dbraw/zinc/17/91/63/606179163.db2.gz WJVZAEJJIZZHMT-MCIONIFRSA-N -1 3 359.499 3.450 20 0 FGADHM Fc1cc(Cl)cnc1N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000822748257 606183526 /nfs/dbraw/zinc/18/35/26/606183526.db2.gz PIFRAUQSHWYRJA-UHFFFAOYSA-N -1 3 374.807 3.102 20 0 FGADHM C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)c1sccc1-c1nnn[n-]1 ZINC000820728344 606191231 /nfs/dbraw/zinc/19/12/31/606191231.db2.gz VCVBFQBWFUJWOL-LKFCYVNXSA-N -1 3 357.414 3.121 20 0 FGADHM C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)c1sccc1-c1nn[n-]n1 ZINC000820728344 606191233 /nfs/dbraw/zinc/19/12/33/606191233.db2.gz VCVBFQBWFUJWOL-LKFCYVNXSA-N -1 3 357.414 3.121 20 0 FGADHM Cc1sc(NC(=O)CN(C)c2cc(C)ccc2C)c(-c2nnn[n-]2)c1C ZINC000822231936 606200602 /nfs/dbraw/zinc/20/06/02/606200602.db2.gz NJAGLCTWMHUKLA-UHFFFAOYSA-N -1 3 370.482 3.237 20 0 FGADHM Cc1sc(NC(=O)CN(C)c2cc(C)ccc2C)c(-c2nn[n-]n2)c1C ZINC000822231936 606200603 /nfs/dbraw/zinc/20/06/03/606200603.db2.gz NJAGLCTWMHUKLA-UHFFFAOYSA-N -1 3 370.482 3.237 20 0 FGADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N(Cc1ccccc1)c1ccccc1 ZINC000822622653 606210520 /nfs/dbraw/zinc/21/05/20/606210520.db2.gz GHVKHRKQTBWRAU-UHFFFAOYSA-N -1 3 358.405 3.052 20 0 FGADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N(Cc1ccccc1)c1ccccc1 ZINC000822622653 606210521 /nfs/dbraw/zinc/21/05/21/606210521.db2.gz GHVKHRKQTBWRAU-UHFFFAOYSA-N -1 3 358.405 3.052 20 0 FGADHM Cc1ccc(Cn2nccc2NCc2cc(-c3nnn[n-]3)cs2)s1 ZINC000822239741 606215889 /nfs/dbraw/zinc/21/58/89/606215889.db2.gz CAHCRHUVDQCTSW-UHFFFAOYSA-N -1 3 357.468 3.155 20 0 FGADHM Cc1ccc(Cn2nccc2NCc2cc(-c3nn[n-]n3)cs2)s1 ZINC000822239741 606215890 /nfs/dbraw/zinc/21/58/90/606215890.db2.gz CAHCRHUVDQCTSW-UHFFFAOYSA-N -1 3 357.468 3.155 20 0 FGADHM c1sc(CNc2ccc(OC[C@H]3CCCO3)cc2)cc1-c1nnn[n-]1 ZINC000823762655 606220782 /nfs/dbraw/zinc/22/07/82/606220782.db2.gz RSVLEHFVCGPGNX-OAHLLOKOSA-N -1 3 357.439 3.098 20 0 FGADHM c1sc(CNc2ccc(OC[C@H]3CCCO3)cc2)cc1-c1nn[n-]n1 ZINC000823762655 606220783 /nfs/dbraw/zinc/22/07/83/606220783.db2.gz RSVLEHFVCGPGNX-OAHLLOKOSA-N -1 3 357.439 3.098 20 0 FGADHM CC(C)(C)OC(=O)Cc1cccc(NCc2cc(-c3nnn[n-]3)cs2)c1 ZINC000819928816 606222362 /nfs/dbraw/zinc/22/23/62/606222362.db2.gz XYQDIZFODOBGEC-UHFFFAOYSA-N -1 3 371.466 3.425 20 0 FGADHM CC(C)(C)OC(=O)Cc1cccc(NCc2cc(-c3nn[n-]n3)cs2)c1 ZINC000819928816 606222363 /nfs/dbraw/zinc/22/23/63/606222363.db2.gz XYQDIZFODOBGEC-UHFFFAOYSA-N -1 3 371.466 3.425 20 0 FGADHM CCCCN(C(=O)c1cc(-c2nnn[n-]2)cn1C)[C@@H](C)c1ccc(C)o1 ZINC000821060318 606222754 /nfs/dbraw/zinc/22/27/54/606222754.db2.gz AJKHMGKAMQXGNG-ZDUSSCGKSA-N -1 3 356.430 3.110 20 0 FGADHM CCCCN(C(=O)c1cc(-c2nn[n-]n2)cn1C)[C@@H](C)c1ccc(C)o1 ZINC000821060318 606222755 /nfs/dbraw/zinc/22/27/55/606222755.db2.gz AJKHMGKAMQXGNG-ZDUSSCGKSA-N -1 3 356.430 3.110 20 0 FGADHM CC(C)(C)n1ncc2c1CCC[C@H]2Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC000819976085 606224195 /nfs/dbraw/zinc/22/41/95/606224195.db2.gz LEQYYAZRSZDNEZ-CYBMUJFWSA-N -1 3 372.864 3.356 20 0 FGADHM CC(C)(C)n1ncc2c1CCC[C@H]2Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC000819976085 606224197 /nfs/dbraw/zinc/22/41/97/606224197.db2.gz LEQYYAZRSZDNEZ-CYBMUJFWSA-N -1 3 372.864 3.356 20 0 FGADHM C[C@H](OC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1ccc(OC(F)(F)F)cc1 ZINC000820502002 606228221 /nfs/dbraw/zinc/22/82/21/606228221.db2.gz MFQKIQPLOKBCLN-QMMMGPOBSA-N -1 3 367.287 3.011 20 0 FGADHM C[C@H](OC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1ccc(OC(F)(F)F)cc1 ZINC000820502002 606228222 /nfs/dbraw/zinc/22/82/22/606228222.db2.gz MFQKIQPLOKBCLN-QMMMGPOBSA-N -1 3 367.287 3.011 20 0 FGADHM C[C@@]1(CNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CCCC[C@H]1O ZINC000820623279 606243021 /nfs/dbraw/zinc/24/30/21/606243021.db2.gz KQNRIVDJBVAFCC-HIFRSBDPSA-N -1 3 355.364 3.239 20 0 FGADHM C[C@@]1(CNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CCCC[C@H]1O ZINC000820623279 606243022 /nfs/dbraw/zinc/24/30/22/606243022.db2.gz KQNRIVDJBVAFCC-HIFRSBDPSA-N -1 3 355.364 3.239 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000823337434 606267650 /nfs/dbraw/zinc/26/76/50/606267650.db2.gz LWVAOCCEGYJDGY-JQWIXIFHSA-N -1 3 359.311 3.026 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000823337434 606267653 /nfs/dbraw/zinc/26/76/53/606267653.db2.gz LWVAOCCEGYJDGY-JQWIXIFHSA-N -1 3 359.311 3.026 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000823343803 606269052 /nfs/dbraw/zinc/26/90/52/606269052.db2.gz HPZVCZXTVSWXJM-WDEREUQCSA-N -1 3 359.311 3.026 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000823343803 606269054 /nfs/dbraw/zinc/26/90/54/606269054.db2.gz HPZVCZXTVSWXJM-WDEREUQCSA-N -1 3 359.311 3.026 20 0 FGADHM Cc1ccc(C(C)C)cc1OCC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000822228615 606272678 /nfs/dbraw/zinc/27/26/78/606272678.db2.gz AJYXJDUPXBQXKR-UHFFFAOYSA-N -1 3 369.400 3.455 20 0 FGADHM Cc1ccc(C(C)C)cc1OCC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000822228615 606272680 /nfs/dbraw/zinc/27/26/80/606272680.db2.gz AJYXJDUPXBQXKR-UHFFFAOYSA-N -1 3 369.400 3.455 20 0 FGADHM Cc1c2cccc(F)c2oc1C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000822020969 606272832 /nfs/dbraw/zinc/27/28/32/606272832.db2.gz PQBJLZLMRMSRKN-UHFFFAOYSA-N -1 3 355.304 3.452 20 0 FGADHM Cc1c2cccc(F)c2oc1C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000822020969 606272833 /nfs/dbraw/zinc/27/28/33/606272833.db2.gz PQBJLZLMRMSRKN-UHFFFAOYSA-N -1 3 355.304 3.452 20 0 FGADHM Cc1ccc(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)cc1OCCC(C)C ZINC000822248754 606278731 /nfs/dbraw/zinc/27/87/31/606278731.db2.gz MLHPIGFUJYMAOY-UHFFFAOYSA-N -1 3 354.414 3.180 20 0 FGADHM Cc1ccc(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)cc1OCCC(C)C ZINC000822248754 606278733 /nfs/dbraw/zinc/27/87/33/606278733.db2.gz MLHPIGFUJYMAOY-UHFFFAOYSA-N -1 3 354.414 3.180 20 0 FGADHM COC(=O)[C@@H](N[C@H](C)c1ccc(Cl)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000821640289 606296926 /nfs/dbraw/zinc/29/69/26/606296926.db2.gz FMRJDBRGYKBZGD-BZNIZROVSA-N -1 3 371.828 3.085 20 0 FGADHM COC(=O)[C@@H](N[C@H](C)c1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000821640289 606296927 /nfs/dbraw/zinc/29/69/27/606296927.db2.gz FMRJDBRGYKBZGD-BZNIZROVSA-N -1 3 371.828 3.085 20 0 FGADHM COC(=O)[C@@H](Nc1ccc2ccccc2c1)c1cccc(-c2nnn[n-]2)c1 ZINC000821645417 606297706 /nfs/dbraw/zinc/29/77/06/606297706.db2.gz ZBXMJJNORQGICZ-SFHVURJKSA-N -1 3 359.389 3.346 20 0 FGADHM COC(=O)[C@@H](Nc1ccc2ccccc2c1)c1cccc(-c2nn[n-]n2)c1 ZINC000821645417 606297708 /nfs/dbraw/zinc/29/77/08/606297708.db2.gz ZBXMJJNORQGICZ-SFHVURJKSA-N -1 3 359.389 3.346 20 0 FGADHM Cc1ccccc1S[C@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O ZINC000822366080 606311132 /nfs/dbraw/zinc/31/11/32/606311132.db2.gz AQVGUSFNNUUREO-ZDUSSCGKSA-N -1 3 357.464 3.134 20 0 FGADHM Cc1ccccc1S[C@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O ZINC000822366080 606311134 /nfs/dbraw/zinc/31/11/34/606311134.db2.gz AQVGUSFNNUUREO-ZDUSSCGKSA-N -1 3 357.464 3.134 20 0 FGADHM Cc1ccc(N(Cc2ccco2)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)cc1C ZINC000822241105 606321643 /nfs/dbraw/zinc/32/16/43/606321643.db2.gz LCQFRFSPRNPQHN-UHFFFAOYSA-N -1 3 362.393 3.252 20 0 FGADHM Cc1ccc(N(Cc2ccco2)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)cc1C ZINC000822241105 606321645 /nfs/dbraw/zinc/32/16/45/606321645.db2.gz LCQFRFSPRNPQHN-UHFFFAOYSA-N -1 3 362.393 3.252 20 0 FGADHM C[C@@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000820555072 606326762 /nfs/dbraw/zinc/32/67/62/606326762.db2.gz FTPLCXISFPXOSU-VXGBXAGGSA-N -1 3 371.441 3.364 20 0 FGADHM C[C@@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000820555072 606326763 /nfs/dbraw/zinc/32/67/63/606326763.db2.gz FTPLCXISFPXOSU-VXGBXAGGSA-N -1 3 371.441 3.364 20 0 FGADHM C[C@H]1c2c(F)cccc2CCN1C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820819374 606346849 /nfs/dbraw/zinc/34/68/49/606346849.db2.gz IBTXNGBZUFVWKE-JTQLQIEISA-N -1 3 370.363 3.296 20 0 FGADHM C[C@H]1c2c(F)cccc2CCN1C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820819374 606346851 /nfs/dbraw/zinc/34/68/51/606346851.db2.gz IBTXNGBZUFVWKE-JTQLQIEISA-N -1 3 370.363 3.296 20 0 FGADHM C[C@H](OC(=O)[C@@H]1C[C@]12CCc1ccccc12)c1ccc(-c2nnn[n-]2)cc1 ZINC000820486341 606350516 /nfs/dbraw/zinc/35/05/16/606350516.db2.gz AQDHYXICCVBKHS-FPSMJMQUSA-N -1 3 360.417 3.375 20 0 FGADHM C[C@H](OC(=O)[C@@H]1C[C@]12CCc1ccccc12)c1ccc(-c2nn[n-]n2)cc1 ZINC000820486341 606350518 /nfs/dbraw/zinc/35/05/18/606350518.db2.gz AQDHYXICCVBKHS-FPSMJMQUSA-N -1 3 360.417 3.375 20 0 FGADHM CC[C@H](NC(=O)Nc1ccc(F)cc1-c1nnn[n-]1)c1nc(C)cs1 ZINC000820921051 606352521 /nfs/dbraw/zinc/35/25/21/606352521.db2.gz VHWSOSCOUFQCLK-NSHDSACASA-N -1 3 361.406 3.044 20 0 FGADHM CC[C@H](NC(=O)Nc1ccc(F)cc1-c1nn[n-]n1)c1nc(C)cs1 ZINC000820921051 606352523 /nfs/dbraw/zinc/35/25/23/606352523.db2.gz VHWSOSCOUFQCLK-NSHDSACASA-N -1 3 361.406 3.044 20 0 FGADHM CC[C@@](C)(NC(=O)Nc1ccc(F)cc1-c1nnn[n-]1)c1ccccc1 ZINC000820854504 606352533 /nfs/dbraw/zinc/35/25/33/606352533.db2.gz WLEWYAWUCARTRP-GOSISDBHSA-N -1 3 354.389 3.453 20 0 FGADHM CC[C@@](C)(NC(=O)Nc1ccc(F)cc1-c1nn[n-]n1)c1ccccc1 ZINC000820854504 606352535 /nfs/dbraw/zinc/35/25/35/606352535.db2.gz WLEWYAWUCARTRP-GOSISDBHSA-N -1 3 354.389 3.453 20 0 FGADHM CC[C@H](Cc1ccccc1)NC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820913517 606355475 /nfs/dbraw/zinc/35/54/75/606355475.db2.gz HOUHBLODFVJBKK-CQSZACIVSA-N -1 3 354.389 3.149 20 0 FGADHM CC[C@H](Cc1ccccc1)NC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820913517 606355476 /nfs/dbraw/zinc/35/54/76/606355476.db2.gz HOUHBLODFVJBKK-CQSZACIVSA-N -1 3 354.389 3.149 20 0 FGADHM COc1ccc(C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c(Cl)c1 ZINC000821772649 606355496 /nfs/dbraw/zinc/35/54/96/606355496.db2.gz JVJKDQGBQCXWNQ-SNVBAGLBSA-N -1 3 358.785 3.447 20 0 FGADHM COc1ccc(C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC000821772649 606355498 /nfs/dbraw/zinc/35/54/98/606355498.db2.gz JVJKDQGBQCXWNQ-SNVBAGLBSA-N -1 3 358.785 3.447 20 0 FGADHM C[C@H]1Cc2ccccc2[C@@H]1NC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820813194 606359139 /nfs/dbraw/zinc/35/91/39/606359139.db2.gz ANAFGOTZZHRIGQ-MGPLVRAMSA-N -1 3 352.373 3.061 20 0 FGADHM C[C@H]1Cc2ccccc2[C@@H]1NC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820813194 606359140 /nfs/dbraw/zinc/35/91/40/606359140.db2.gz ANAFGOTZZHRIGQ-MGPLVRAMSA-N -1 3 352.373 3.061 20 0 FGADHM COc1cccc(C(C)=CC(=O)OCc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000821859929 606391723 /nfs/dbraw/zinc/39/17/23/606391723.db2.gz UPMSGDNKZCRVRF-WQLSENKSSA-N -1 3 368.368 3.161 20 0 FGADHM COc1cccc(C(C)=CC(=O)OCc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000821859929 606391725 /nfs/dbraw/zinc/39/17/25/606391725.db2.gz UPMSGDNKZCRVRF-WQLSENKSSA-N -1 3 368.368 3.161 20 0 FGADHM CC[C@H](Nc1cccc(F)c1-c1nnn[n-]1)[C@@H](O)c1c(F)cccc1F ZINC000820925956 606419203 /nfs/dbraw/zinc/41/92/03/606419203.db2.gz NPZHZSNZCBDMKI-BLLLJJGKSA-N -1 3 363.343 3.208 20 0 FGADHM CC[C@H](Nc1cccc(F)c1-c1nn[n-]n1)[C@@H](O)c1c(F)cccc1F ZINC000820925956 606419205 /nfs/dbraw/zinc/41/92/05/606419205.db2.gz NPZHZSNZCBDMKI-BLLLJJGKSA-N -1 3 363.343 3.208 20 0 FGADHM CC(C)[C@H]1OCCC[C@@H]1CNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000820051277 606426874 /nfs/dbraw/zinc/42/68/74/606426874.db2.gz MFDDVZQRKBCGNI-ZWNOBZJWSA-N -1 3 370.379 3.144 20 0 FGADHM CC(C)[C@H]1OCCC[C@@H]1CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000820051277 606426876 /nfs/dbraw/zinc/42/68/76/606426876.db2.gz MFDDVZQRKBCGNI-ZWNOBZJWSA-N -1 3 370.379 3.144 20 0 FGADHM O=C(CCn1cccc1)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000822987249 606430018 /nfs/dbraw/zinc/43/00/18/606430018.db2.gz UPBBFGYHEYOION-UHFFFAOYSA-N -1 3 356.455 3.027 20 0 FGADHM O=C(CCn1cccc1)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000822987249 606430020 /nfs/dbraw/zinc/43/00/20/606430020.db2.gz UPBBFGYHEYOION-UHFFFAOYSA-N -1 3 356.455 3.027 20 0 FGADHM CC(C)(C)OC(=O)NCc1cccc(Nc2ncccc2-c2nnn[n-]2)c1 ZINC000819940070 606431418 /nfs/dbraw/zinc/43/14/18/606431418.db2.gz OQYACZMTKCDVBZ-UHFFFAOYSA-N -1 3 367.413 3.030 20 0 FGADHM CC(C)(C)OC(=O)NCc1cccc(Nc2ncccc2-c2nn[n-]n2)c1 ZINC000819940070 606431420 /nfs/dbraw/zinc/43/14/20/606431420.db2.gz OQYACZMTKCDVBZ-UHFFFAOYSA-N -1 3 367.413 3.030 20 0 FGADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1CCC[C@@H]1c1ccccn1 ZINC000822331281 606460712 /nfs/dbraw/zinc/46/07/12/606460712.db2.gz BNHUWUARNYNIAR-QGZVFWFLSA-N -1 3 357.421 3.460 20 0 FGADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N1CCC[C@@H]1c1ccccn1 ZINC000822331281 606460714 /nfs/dbraw/zinc/46/07/14/606460714.db2.gz BNHUWUARNYNIAR-QGZVFWFLSA-N -1 3 357.421 3.460 20 0 FGADHM C[C@@H](OC(=O)c1cc(-c2nnn[n-]2)cs1)c1cnc2ccccc2c1 ZINC000820508861 606464923 /nfs/dbraw/zinc/46/49/23/606464923.db2.gz ZHUYPNRLPHFRSP-SNVBAGLBSA-N -1 3 351.391 3.394 20 0 FGADHM C[C@@H](OC(=O)c1cc(-c2nn[n-]n2)cs1)c1cnc2ccccc2c1 ZINC000820508861 606464925 /nfs/dbraw/zinc/46/49/25/606464925.db2.gz ZHUYPNRLPHFRSP-SNVBAGLBSA-N -1 3 351.391 3.394 20 0 FGADHM C[C@@H](N(C)C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C1(C)CC1 ZINC000820308758 606471927 /nfs/dbraw/zinc/47/19/27/606471927.db2.gz XTUSEROVWQOYIT-SECBINFHSA-N -1 3 350.879 3.337 20 0 FGADHM C[C@@H](N(C)C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C1(C)CC1 ZINC000820308758 606471928 /nfs/dbraw/zinc/47/19/28/606471928.db2.gz XTUSEROVWQOYIT-SECBINFHSA-N -1 3 350.879 3.337 20 0 FGADHM Cc1ccccc1[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2Cl)[C@@H](C)CO1 ZINC000822350791 606476017 /nfs/dbraw/zinc/47/60/17/606476017.db2.gz HDUVKBOPWLAVGK-LRDDRELGSA-N -1 3 370.844 3.190 20 0 FGADHM Cc1ccccc1[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2Cl)[C@@H](C)CO1 ZINC000822350791 606476018 /nfs/dbraw/zinc/47/60/18/606476018.db2.gz HDUVKBOPWLAVGK-LRDDRELGSA-N -1 3 370.844 3.190 20 0 FGADHM Cc1ccccc1[C@H]1CN(c2cccc(F)c2-c2nnn[n-]2)[C@@H](C)CO1 ZINC000822351746 606476321 /nfs/dbraw/zinc/47/63/21/606476321.db2.gz PVMNWGVIERAUTD-SUMWQHHRSA-N -1 3 353.401 3.281 20 0 FGADHM Cc1ccccc1[C@H]1CN(c2cccc(F)c2-c2nn[n-]n2)[C@@H](C)CO1 ZINC000822351746 606476323 /nfs/dbraw/zinc/47/63/23/606476323.db2.gz PVMNWGVIERAUTD-SUMWQHHRSA-N -1 3 353.401 3.281 20 0 FGADHM O=C(N[C@H](c1ccc(Cl)cc1)C1CC1)c1cc(-c2nnn[n-]2)cs1 ZINC000823140565 606484668 /nfs/dbraw/zinc/48/46/68/606484668.db2.gz WSXHQBWLTXNHPI-AWEZNQCLSA-N -1 3 359.842 3.463 20 0 FGADHM O=C(N[C@H](c1ccc(Cl)cc1)C1CC1)c1cc(-c2nn[n-]n2)cs1 ZINC000823140565 606484669 /nfs/dbraw/zinc/48/46/69/606484669.db2.gz WSXHQBWLTXNHPI-AWEZNQCLSA-N -1 3 359.842 3.463 20 0 FGADHM Cc1cc2sc(NC(=O)Cc3cccc(-c4nnn[n-]4)c3)nc2c(C)c1 ZINC000822195637 606487348 /nfs/dbraw/zinc/48/73/48/606487348.db2.gz ZAFPDVOIMFXTAG-UHFFFAOYSA-N -1 3 364.434 3.274 20 0 FGADHM Cc1cc2sc(NC(=O)Cc3cccc(-c4nn[n-]n4)c3)nc2c(C)c1 ZINC000822195637 606487349 /nfs/dbraw/zinc/48/73/49/606487349.db2.gz ZAFPDVOIMFXTAG-UHFFFAOYSA-N -1 3 364.434 3.274 20 0 FGADHM O=C(Nc1nc2cc(Cl)ccc2s1)c1cc(-c2nnn[n-]2)cs1 ZINC000823379753 606488324 /nfs/dbraw/zinc/48/83/24/606488324.db2.gz HBRWASXEGCYTFL-UHFFFAOYSA-N -1 3 362.827 3.444 20 0 FGADHM O=C(Nc1nc2cc(Cl)ccc2s1)c1cc(-c2nn[n-]n2)cs1 ZINC000823379753 606488325 /nfs/dbraw/zinc/48/83/25/606488325.db2.gz HBRWASXEGCYTFL-UHFFFAOYSA-N -1 3 362.827 3.444 20 0 FGADHM O=C(Nc1ncc(-c2ccccc2)s1)c1cc(-c2nnn[n-]2)cs1 ZINC000823380068 606493823 /nfs/dbraw/zinc/49/38/23/606493823.db2.gz OXSQWXSQPNJKNH-UHFFFAOYSA-N -1 3 354.420 3.304 20 0 FGADHM O=C(Nc1ncc(-c2ccccc2)s1)c1cc(-c2nn[n-]n2)cs1 ZINC000823380068 606493824 /nfs/dbraw/zinc/49/38/24/606493824.db2.gz OXSQWXSQPNJKNH-UHFFFAOYSA-N -1 3 354.420 3.304 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1ccccc1SC(F)F ZINC000823109185 606493989 /nfs/dbraw/zinc/49/39/89/606493989.db2.gz ZPFLMECBTVZJMU-UHFFFAOYSA-N -1 3 361.377 3.363 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1ccccc1SC(F)F ZINC000823109185 606493990 /nfs/dbraw/zinc/49/39/90/606493990.db2.gz ZPFLMECBTVZJMU-UHFFFAOYSA-N -1 3 361.377 3.363 20 0 FGADHM FC(F)Oc1cc(-c2nnn[n-]2)ccc1CN1CC[C@@H]1c1ccccc1 ZINC000822731941 606499714 /nfs/dbraw/zinc/49/97/14/606499714.db2.gz FOTUMGHTWSUHQH-OAHLLOKOSA-N -1 3 357.364 3.415 20 0 FGADHM FC(F)Oc1cc(-c2nn[n-]n2)ccc1CN1CC[C@@H]1c1ccccc1 ZINC000822731941 606499717 /nfs/dbraw/zinc/49/97/17/606499717.db2.gz FOTUMGHTWSUHQH-OAHLLOKOSA-N -1 3 357.364 3.415 20 0 FGADHM FC(F)Oc1cc(-c2nn[n-]n2)ccc1CN1CCC[C@@H]1c1ccccn1 ZINC000822731182 606499742 /nfs/dbraw/zinc/49/97/42/606499742.db2.gz ADJBBLWQKKOCTO-OAHLLOKOSA-N -1 3 372.379 3.200 20 0 FGADHM CC1(C)CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)cs2)c2ccccc21 ZINC000820590052 606499988 /nfs/dbraw/zinc/49/99/88/606499988.db2.gz PXNMFIODGLDXCW-AWEZNQCLSA-N -1 3 353.451 3.471 20 0 FGADHM CC1(C)CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)cs2)c2ccccc21 ZINC000820590052 606499990 /nfs/dbraw/zinc/49/99/90/606499990.db2.gz PXNMFIODGLDXCW-AWEZNQCLSA-N -1 3 353.451 3.471 20 0 FGADHM CC(C)(CNC(=O)c1cc(-c2nnn[n-]2)cs1)c1cccc(Cl)c1 ZINC000819981552 606500456 /nfs/dbraw/zinc/50/04/56/606500456.db2.gz YGQQHRFRSPFTMS-UHFFFAOYSA-N -1 3 361.858 3.289 20 0 FGADHM CC(C)(CNC(=O)c1cc(-c2nn[n-]n2)cs1)c1cccc(Cl)c1 ZINC000819981552 606500458 /nfs/dbraw/zinc/50/04/58/606500458.db2.gz YGQQHRFRSPFTMS-UHFFFAOYSA-N -1 3 361.858 3.289 20 0 FGADHM O=C(Nc1ccc(Oc2ccncc2)cc1)c1cc(-c2nnn[n-]2)cs1 ZINC000823355355 606501254 /nfs/dbraw/zinc/50/12/54/606501254.db2.gz ATNRPAQDOMYUDC-UHFFFAOYSA-N -1 3 364.390 3.368 20 0 FGADHM O=C(Nc1ccc(Oc2ccncc2)cc1)c1cc(-c2nn[n-]n2)cs1 ZINC000823355355 606501256 /nfs/dbraw/zinc/50/12/56/606501256.db2.gz ATNRPAQDOMYUDC-UHFFFAOYSA-N -1 3 364.390 3.368 20 0 FGADHM CC(C)(C)[C@H](NC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC000819898379 606511229 /nfs/dbraw/zinc/51/12/29/606511229.db2.gz FMBXCKHYRGLMBV-GOSISDBHSA-N -1 3 367.428 3.452 20 0 FGADHM CC(C)(C)[C@H](NC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC000819898379 606511231 /nfs/dbraw/zinc/51/12/31/606511231.db2.gz FMBXCKHYRGLMBV-GOSISDBHSA-N -1 3 367.428 3.452 20 0 FGADHM C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820669156 606516957 /nfs/dbraw/zinc/51/69/57/606516957.db2.gz ZDWWENATYBPRAR-LALPHHSUSA-N -1 3 353.451 3.335 20 0 FGADHM C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820669156 606516959 /nfs/dbraw/zinc/51/69/59/606516959.db2.gz ZDWWENATYBPRAR-LALPHHSUSA-N -1 3 353.451 3.335 20 0 FGADHM CN1CCCN(C(=O)c2cc(-c3nnn[n-]3)cs2)c2cc(Cl)ccc21 ZINC000821625102 606519435 /nfs/dbraw/zinc/51/94/35/606519435.db2.gz FUMFQXZVVLHAQW-UHFFFAOYSA-N -1 3 374.857 3.068 20 0 FGADHM CN1CCCN(C(=O)c2cc(-c3nn[n-]n3)cs2)c2cc(Cl)ccc21 ZINC000821625102 606519438 /nfs/dbraw/zinc/51/94/38/606519438.db2.gz FUMFQXZVVLHAQW-UHFFFAOYSA-N -1 3 374.857 3.068 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000823093047 606534841 /nfs/dbraw/zinc/53/48/41/606534841.db2.gz SOAIRVOXXIBKER-RBUKOAKNSA-N -1 3 361.449 3.252 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000823093047 606534843 /nfs/dbraw/zinc/53/48/43/606534843.db2.gz SOAIRVOXXIBKER-RBUKOAKNSA-N -1 3 361.449 3.252 20 0 FGADHM O=C(c1sccc1-c1nnn[n-]1)N1CCCC[C@H]1c1ccc(F)cc1 ZINC000823498496 606538322 /nfs/dbraw/zinc/53/83/22/606538322.db2.gz RTWUUVLCSUSLQR-AWEZNQCLSA-N -1 3 357.414 3.435 20 0 FGADHM O=C(c1sccc1-c1nn[n-]n1)N1CCCC[C@H]1c1ccc(F)cc1 ZINC000823498496 606538324 /nfs/dbraw/zinc/53/83/24/606538324.db2.gz RTWUUVLCSUSLQR-AWEZNQCLSA-N -1 3 357.414 3.435 20 0 FGADHM CSCCCCC(=O)OCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000821962380 606560613 /nfs/dbraw/zinc/56/06/13/606560613.db2.gz PFXZVXYTIKMLLP-UHFFFAOYSA-N -1 3 372.397 3.045 20 0 FGADHM CSCCCCC(=O)OCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000821962380 606560614 /nfs/dbraw/zinc/56/06/14/606560614.db2.gz PFXZVXYTIKMLLP-UHFFFAOYSA-N -1 3 372.397 3.045 20 0 FGADHM O=C(CCC1CCC1)OCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000822950344 606561404 /nfs/dbraw/zinc/56/14/04/606561404.db2.gz KOTKWHDGSWHTOZ-UHFFFAOYSA-N -1 3 352.341 3.092 20 0 FGADHM O=C(CCC1CCC1)OCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000822950344 606561406 /nfs/dbraw/zinc/56/14/06/606561406.db2.gz KOTKWHDGSWHTOZ-UHFFFAOYSA-N -1 3 352.341 3.092 20 0 FGADHM Cc1oc(-c2cccs2)nc1COC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000822535362 606565851 /nfs/dbraw/zinc/56/58/51/606565851.db2.gz OPGCHZIBXSGCTO-UHFFFAOYSA-N -1 3 373.419 3.310 20 0 FGADHM Cc1oc(-c2cccs2)nc1COC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000822535362 606565852 /nfs/dbraw/zinc/56/58/52/606565852.db2.gz OPGCHZIBXSGCTO-UHFFFAOYSA-N -1 3 373.419 3.310 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)NC(C1CCCC1)C1CCCC1 ZINC000823092147 606566756 /nfs/dbraw/zinc/56/67/56/606566756.db2.gz CQQSTVLJALUXQO-UHFFFAOYSA-N -1 3 353.470 3.274 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)NC(C1CCCC1)C1CCCC1 ZINC000823092147 606566757 /nfs/dbraw/zinc/56/67/57/606566757.db2.gz CQQSTVLJALUXQO-UHFFFAOYSA-N -1 3 353.470 3.274 20 0 FGADHM CC[C@H](Oc1ccccc1C)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820939230 606579139 /nfs/dbraw/zinc/57/91/39/606579139.db2.gz RHWLYMUJHTTWJK-PBHICJAKSA-N -1 3 365.437 3.210 20 0 FGADHM CC[C@H](Oc1ccccc1C)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820939230 606579140 /nfs/dbraw/zinc/57/91/40/606579140.db2.gz RHWLYMUJHTTWJK-PBHICJAKSA-N -1 3 365.437 3.210 20 0 FGADHM Fc1ccc(NCc2ccc(-c3nnn[n-]3)cc2OC(F)F)c(F)c1F ZINC000822782850 606597619 /nfs/dbraw/zinc/59/76/19/606597619.db2.gz JMWBRCPMFZWRCE-UHFFFAOYSA-N -1 3 371.269 3.498 20 0 FGADHM Fc1ccc(NCc2ccc(-c3nn[n-]n3)cc2OC(F)F)c(F)c1F ZINC000822782850 606597620 /nfs/dbraw/zinc/59/76/20/606597620.db2.gz JMWBRCPMFZWRCE-UHFFFAOYSA-N -1 3 371.269 3.498 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(C)cc1F ZINC000821123162 606598424 /nfs/dbraw/zinc/59/84/24/606598424.db2.gz LQGWARRYEICNAI-UHFFFAOYSA-N -1 3 354.389 3.388 20 0 FGADHM COc1cccc([C@@H](C)CC(=O)OCc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000821859059 606615440 /nfs/dbraw/zinc/61/54/40/606615440.db2.gz KIIMFMYXQUEXQW-LBPRGKRZSA-N -1 3 370.384 3.251 20 0 FGADHM COc1cccc([C@@H](C)CC(=O)OCc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000821859059 606615441 /nfs/dbraw/zinc/61/54/41/606615441.db2.gz KIIMFMYXQUEXQW-LBPRGKRZSA-N -1 3 370.384 3.251 20 0 FGADHM CCS[C@H]1CCCC[C@@H]1NC(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000821457706 606626531 /nfs/dbraw/zinc/62/65/31/606626531.db2.gz ZRXJQECWNYBQOG-KBPBESRZSA-N -1 3 362.528 3.217 20 0 FGADHM CCS[C@H]1CCCC[C@@H]1NC(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000821457706 606626533 /nfs/dbraw/zinc/62/65/33/606626533.db2.gz ZRXJQECWNYBQOG-KBPBESRZSA-N -1 3 362.528 3.217 20 0 FGADHM O=C(CSc1ccc(Cl)cc1-c1nnn[n-]1)Nc1cccc(F)c1 ZINC000823066070 606629661 /nfs/dbraw/zinc/62/96/61/606629661.db2.gz KZFNBXDTXCPOFO-UHFFFAOYSA-N -1 3 363.805 3.390 20 0 FGADHM O=C(CSc1ccc(Cl)cc1-c1nn[n-]n1)Nc1cccc(F)c1 ZINC000823066070 606629663 /nfs/dbraw/zinc/62/96/63/606629663.db2.gz KZFNBXDTXCPOFO-UHFFFAOYSA-N -1 3 363.805 3.390 20 0 FGADHM C[C@@H]1CCCCN1C(=O)CSc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000820703997 606630489 /nfs/dbraw/zinc/63/04/89/606630489.db2.gz LDURPKPRVFVCHR-SNVBAGLBSA-N -1 3 351.863 3.013 20 0 FGADHM C[C@@H]1CCCCN1C(=O)CSc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000820703997 606630491 /nfs/dbraw/zinc/63/04/91/606630491.db2.gz LDURPKPRVFVCHR-SNVBAGLBSA-N -1 3 351.863 3.013 20 0 FGADHM Cc1cc(Oc2cccnc2F)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000822211708 606633324 /nfs/dbraw/zinc/63/33/24/606633324.db2.gz LSBURKAABNWOAG-UHFFFAOYSA-N -1 3 361.340 3.302 20 0 FGADHM Cc1cc(Oc2cccnc2F)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC000822211708 606633325 /nfs/dbraw/zinc/63/33/25/606633325.db2.gz LSBURKAABNWOAG-UHFFFAOYSA-N -1 3 361.340 3.302 20 0 FGADHM O[C@@H]1CCCC[C@H]1Oc1ccc(NCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000823706889 606657629 /nfs/dbraw/zinc/65/76/29/606657629.db2.gz QVSDMWRMUOUOLK-RTBURBONSA-N -1 3 365.437 3.161 20 0 FGADHM O[C@@H]1CCCC[C@H]1Oc1ccc(NCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000823706889 606657630 /nfs/dbraw/zinc/65/76/30/606657630.db2.gz QVSDMWRMUOUOLK-RTBURBONSA-N -1 3 365.437 3.161 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N(Cc1ccccc1)CC(F)F ZINC000822217390 606660693 /nfs/dbraw/zinc/66/06/93/606660693.db2.gz CJOSROPNUVJLRC-UHFFFAOYSA-N -1 3 372.379 3.474 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N(Cc1ccccc1)CC(F)F ZINC000822217390 606660694 /nfs/dbraw/zinc/66/06/94/606660694.db2.gz CJOSROPNUVJLRC-UHFFFAOYSA-N -1 3 372.379 3.474 20 0 FGADHM O=C(C[C@H]1CCCCO1)Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822940997 606663025 /nfs/dbraw/zinc/66/30/25/606663025.db2.gz MMZVOWKYUNTKFW-GOSISDBHSA-N -1 3 364.405 3.398 20 0 FGADHM O=C(C[C@H]1CCCCO1)Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822940997 606663026 /nfs/dbraw/zinc/66/30/26/606663026.db2.gz MMZVOWKYUNTKFW-GOSISDBHSA-N -1 3 364.405 3.398 20 0 FGADHM O=C(N[C@@H](c1cccs1)C1CC1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823140382 606668918 /nfs/dbraw/zinc/66/89/18/606668918.db2.gz USXCGYDUJWIWRD-CQSZACIVSA-N -1 3 361.377 3.088 20 0 FGADHM O=C(N[C@@H](c1cccs1)C1CC1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823140382 606668919 /nfs/dbraw/zinc/66/89/19/606668919.db2.gz USXCGYDUJWIWRD-CQSZACIVSA-N -1 3 361.377 3.088 20 0 FGADHM C[C@@H](NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1ccc(Cl)s1 ZINC000820385156 606669187 /nfs/dbraw/zinc/66/91/87/606669187.db2.gz PVQQYYMPOMCKHM-ZCFIWIBFSA-N -1 3 369.784 3.351 20 0 FGADHM C[C@@H](NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccc(Cl)s1 ZINC000820385156 606669188 /nfs/dbraw/zinc/66/91/88/606669188.db2.gz PVQQYYMPOMCKHM-ZCFIWIBFSA-N -1 3 369.784 3.351 20 0 FGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Cc1ccc(F)cc1F ZINC000820116070 606670231 /nfs/dbraw/zinc/67/02/31/606670231.db2.gz FLPNPKKPDSDRSN-UHFFFAOYSA-N -1 3 371.391 3.125 20 0 FGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Cc1ccc(F)cc1F ZINC000820116070 606670232 /nfs/dbraw/zinc/67/02/32/606670232.db2.gz FLPNPKKPDSDRSN-UHFFFAOYSA-N -1 3 371.391 3.125 20 0 FGADHM O=C(Nc1ccc2ncsc2c1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823356866 606670645 /nfs/dbraw/zinc/67/06/45/606670645.db2.gz PQUAHEQPKQATGO-UHFFFAOYSA-N -1 3 358.333 3.007 20 0 FGADHM O=C(Nc1ccc2ncsc2c1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823356866 606670646 /nfs/dbraw/zinc/67/06/46/606670646.db2.gz PQUAHEQPKQATGO-UHFFFAOYSA-N -1 3 358.333 3.007 20 0 FGADHM CCN(C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1ccccc1Cl ZINC000821154428 606670899 /nfs/dbraw/zinc/67/08/99/606670899.db2.gz NNPPWRVCDWWCBY-UHFFFAOYSA-N -1 3 363.755 3.465 20 0 FGADHM CCN(C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccccc1Cl ZINC000821154428 606670900 /nfs/dbraw/zinc/67/09/00/606670900.db2.gz NNPPWRVCDWWCBY-UHFFFAOYSA-N -1 3 363.755 3.465 20 0 FGADHM CC(C)(CCNC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000819976064 606673273 /nfs/dbraw/zinc/67/32/73/606673273.db2.gz KHEJWJXALXULLV-UHFFFAOYSA-N -1 3 371.391 3.243 20 0 FGADHM CC(C)(CCNC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000819976064 606673274 /nfs/dbraw/zinc/67/32/74/606673274.db2.gz KHEJWJXALXULLV-UHFFFAOYSA-N -1 3 371.391 3.243 20 0 FGADHM CC(C)C[C@@H](C)OCCC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000820056755 606673424 /nfs/dbraw/zinc/67/34/24/606673424.db2.gz ROMUNKHCQHZGDW-CYBMUJFWSA-N -1 3 362.478 3.203 20 0 FGADHM CC(C)C[C@@H](C)OCCC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000820056755 606673425 /nfs/dbraw/zinc/67/34/25/606673425.db2.gz ROMUNKHCQHZGDW-CYBMUJFWSA-N -1 3 362.478 3.203 20 0 FGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)[C@@H]1C[C@@H]1Cc1ccccc1 ZINC000819972054 606673474 /nfs/dbraw/zinc/67/34/74/606673474.db2.gz ZAZBZDVOIYWYFP-GOEBONIOSA-N -1 3 364.453 3.241 20 0 FGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1C[C@@H]1Cc1ccccc1 ZINC000819972054 606673475 /nfs/dbraw/zinc/67/34/75/606673475.db2.gz ZAZBZDVOIYWYFP-GOEBONIOSA-N -1 3 364.453 3.241 20 0 FGADHM COC[C@@H](C)CC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCCC2 ZINC000821681242 606673808 /nfs/dbraw/zinc/67/38/08/606673808.db2.gz FUBBAPMVCYWRJB-NSHDSACASA-N -1 3 363.487 3.198 20 0 FGADHM COC[C@@H](C)CC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCCC2 ZINC000821681242 606673809 /nfs/dbraw/zinc/67/38/09/606673809.db2.gz FUBBAPMVCYWRJB-NSHDSACASA-N -1 3 363.487 3.198 20 0 FGADHM CCC1(C(=O)Nc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)COC1 ZINC000820943655 606674301 /nfs/dbraw/zinc/67/43/01/606674301.db2.gz AIYBBDJUVLBUSO-UHFFFAOYSA-N -1 3 365.393 3.024 20 0 FGADHM CCC1(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)COC1 ZINC000820943655 606674302 /nfs/dbraw/zinc/67/43/02/606674302.db2.gz AIYBBDJUVLBUSO-UHFFFAOYSA-N -1 3 365.393 3.024 20 0 FGADHM C[C@@H](NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)[C@H](C)c1ccccc1 ZINC000820385808 606684829 /nfs/dbraw/zinc/68/48/29/606684829.db2.gz UNZGCTKZCMSSBB-WDEREUQCSA-N -1 3 357.364 3.067 20 0 FGADHM C[C@@H](NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)[C@H](C)c1ccccc1 ZINC000820385808 606684830 /nfs/dbraw/zinc/68/48/30/606684830.db2.gz UNZGCTKZCMSSBB-WDEREUQCSA-N -1 3 357.364 3.067 20 0 FGADHM C[C@H](OC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1cc(F)cc(F)c1 ZINC000820488222 606686395 /nfs/dbraw/zinc/68/63/95/606686395.db2.gz MEYAFDAJIATRLG-ZADCQDASSA-N -1 3 356.332 3.463 20 0 FGADHM C[C@H](OC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1cc(F)cc(F)c1 ZINC000820488222 606686396 /nfs/dbraw/zinc/68/63/96/606686396.db2.gz MEYAFDAJIATRLG-ZADCQDASSA-N -1 3 356.332 3.463 20 0 FGADHM C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)cs1)c1cccc(N2CCCC2)c1 ZINC000820390837 606691733 /nfs/dbraw/zinc/69/17/33/606691733.db2.gz LPRFYGROQSIWRO-GFCCVEGCSA-N -1 3 368.466 3.019 20 0 FGADHM C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)cs1)c1cccc(N2CCCC2)c1 ZINC000820390837 606691734 /nfs/dbraw/zinc/69/17/34/606691734.db2.gz LPRFYGROQSIWRO-GFCCVEGCSA-N -1 3 368.466 3.019 20 0 FGADHM CC1(C)CN(C(=O)Cc2cccc(-c3nnn[n-]3)c2)c2ccccc2S1 ZINC000820601551 606693261 /nfs/dbraw/zinc/69/32/61/606693261.db2.gz ODVDPYVELZHILJ-UHFFFAOYSA-N -1 3 365.462 3.327 20 0 FGADHM CC1(C)CN(C(=O)Cc2cccc(-c3nn[n-]n3)c2)c2ccccc2S1 ZINC000820601551 606693262 /nfs/dbraw/zinc/69/32/62/606693262.db2.gz ODVDPYVELZHILJ-UHFFFAOYSA-N -1 3 365.462 3.327 20 0 FGADHM Cc1ccc([C@H](C)NC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1F ZINC000822228622 606696828 /nfs/dbraw/zinc/69/68/28/606696828.db2.gz ARIANKAUVYBHRV-JTQLQIEISA-N -1 3 358.352 3.336 20 0 FGADHM Cc1ccc([C@H](C)NC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1F ZINC000822228622 606696829 /nfs/dbraw/zinc/69/68/29/606696829.db2.gz ARIANKAUVYBHRV-JTQLQIEISA-N -1 3 358.352 3.336 20 0 FGADHM C[C@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)c1noc(-c2ccccc2)n1 ZINC000820460996 606725590 /nfs/dbraw/zinc/72/55/90/606725590.db2.gz DIIVSEDWJPFUMC-VIFPVBQESA-N -1 3 368.788 3.138 20 0 FGADHM C[C@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)c1noc(-c2ccccc2)n1 ZINC000820460996 606725592 /nfs/dbraw/zinc/72/55/92/606725592.db2.gz DIIVSEDWJPFUMC-VIFPVBQESA-N -1 3 368.788 3.138 20 0 FGADHM COCCOc1cc(C)ccc1CNc1c(Cl)cccc1-c1nnn[n-]1 ZINC000821693117 606727579 /nfs/dbraw/zinc/72/75/79/606727579.db2.gz SCVGNVJGTFXGGZ-UHFFFAOYSA-N -1 3 373.844 3.466 20 0 FGADHM COCCOc1cc(C)ccc1CNc1c(Cl)cccc1-c1nn[n-]n1 ZINC000821693117 606727580 /nfs/dbraw/zinc/72/75/80/606727580.db2.gz SCVGNVJGTFXGGZ-UHFFFAOYSA-N -1 3 373.844 3.466 20 0 FGADHM COCc1noc(-c2ccc(Oc3ccc(-c4nn[n-]n4)cc3C)cc2)n1 ZINC000821696987 606763444 /nfs/dbraw/zinc/76/34/44/606763444.db2.gz WVXNBLRFWVTNQM-UHFFFAOYSA-N -1 3 364.365 3.164 20 0 FGADHM C[C@H](OC1CCCCCC1)C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820518421 606763757 /nfs/dbraw/zinc/76/37/57/606763757.db2.gz DHPDGVNKTRTEEN-LBPRGKRZSA-N -1 3 362.405 3.177 20 0 FGADHM C[C@H](OC1CCCCCC1)C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820518421 606763758 /nfs/dbraw/zinc/76/37/58/606763758.db2.gz DHPDGVNKTRTEEN-LBPRGKRZSA-N -1 3 362.405 3.177 20 0 FGADHM CC[C@@H]1CCC[C@@H]1NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820981250 606764634 /nfs/dbraw/zinc/76/46/34/606764634.db2.gz PXHGYNLZXDKWNQ-RNCFNFMXSA-N -1 3 350.879 3.385 20 0 FGADHM CC[C@@H]1CCC[C@@H]1NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820981250 606764635 /nfs/dbraw/zinc/76/46/35/606764635.db2.gz PXHGYNLZXDKWNQ-RNCFNFMXSA-N -1 3 350.879 3.385 20 0 FGADHM Cc1ccc(CC(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000822235096 606798214 /nfs/dbraw/zinc/79/82/14/606798214.db2.gz RZONFSYVBKBUHX-UHFFFAOYSA-N -1 3 360.776 3.254 20 0 FGADHM Cc1ccc(CC(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000822235096 606798215 /nfs/dbraw/zinc/79/82/15/606798215.db2.gz RZONFSYVBKBUHX-UHFFFAOYSA-N -1 3 360.776 3.254 20 0 FGADHM C[C@H](Sc1ccccn1)C(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820555325 606800845 /nfs/dbraw/zinc/80/08/45/606800845.db2.gz JFIDAZGBTOEPRQ-RYUDHWBXSA-N -1 3 355.423 3.047 20 0 FGADHM C[C@H](Sc1ccccn1)C(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820555325 606800847 /nfs/dbraw/zinc/80/08/47/606800847.db2.gz JFIDAZGBTOEPRQ-RYUDHWBXSA-N -1 3 355.423 3.047 20 0 FGADHM C[C@@H](OC(=O)[C@H](C)Sc1ccccn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820555323 606801002 /nfs/dbraw/zinc/80/10/02/606801002.db2.gz JFIDAZGBTOEPRQ-NEPJUHHUSA-N -1 3 355.423 3.047 20 0 FGADHM C[C@@H](OC(=O)[C@H](C)Sc1ccccn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820555323 606801004 /nfs/dbraw/zinc/80/10/04/606801004.db2.gz JFIDAZGBTOEPRQ-NEPJUHHUSA-N -1 3 355.423 3.047 20 0 FGADHM Cc1ccc(Cl)c(NC(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822239745 606807582 /nfs/dbraw/zinc/80/75/82/606807582.db2.gz CDJYEMOWWHRCIJ-UHFFFAOYSA-N -1 3 356.817 3.492 20 0 FGADHM Cc1ccc(Cl)c(NC(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822239745 606807584 /nfs/dbraw/zinc/80/75/84/606807584.db2.gz CDJYEMOWWHRCIJ-UHFFFAOYSA-N -1 3 356.817 3.492 20 0 FGADHM CC(=O)c1ccc(Cl)c(NC(=O)CCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000819833688 606811820 /nfs/dbraw/zinc/81/18/20/606811820.db2.gz KDKJIYUHRCABHB-UHFFFAOYSA-N -1 3 369.812 3.294 20 0 FGADHM CC(=O)c1ccc(Cl)c(NC(=O)CCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000819833688 606811822 /nfs/dbraw/zinc/81/18/22/606811822.db2.gz KDKJIYUHRCABHB-UHFFFAOYSA-N -1 3 369.812 3.294 20 0 FGADHM O=C(c1c(F)cc(-c2nnn[n-]2)cc1F)N1CCc2c1cccc2Cl ZINC000823460174 606827611 /nfs/dbraw/zinc/82/76/11/606827611.db2.gz JMAJIAXBAXINIL-UHFFFAOYSA-N -1 3 361.739 3.001 20 0 FGADHM O=C(c1c(F)cc(-c2nn[n-]n2)cc1F)N1CCc2c1cccc2Cl ZINC000823460174 606827612 /nfs/dbraw/zinc/82/76/12/606827612.db2.gz JMAJIAXBAXINIL-UHFFFAOYSA-N -1 3 361.739 3.001 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)ccc1OCc1ccn(C2CCCC2)n1 ZINC000821393775 606837423 /nfs/dbraw/zinc/83/74/23/606837423.db2.gz AEMTXIRJKXLBLV-UHFFFAOYSA-N -1 3 354.414 3.156 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)ccc1OCc1ccn(C2CCCC2)n1 ZINC000821393775 606837425 /nfs/dbraw/zinc/83/74/25/606837425.db2.gz AEMTXIRJKXLBLV-UHFFFAOYSA-N -1 3 354.414 3.156 20 0 FGADHM c1c(CSCCCOc2cccc(-c3nnn[n-]3)c2)nc2ccccn12 ZINC000823762956 606841770 /nfs/dbraw/zinc/84/17/70/606841770.db2.gz XQUZRBGNVDQOCO-UHFFFAOYSA-N -1 3 366.450 3.217 20 0 FGADHM c1c(CSCCCOc2cccc(-c3nn[n-]n3)c2)nc2ccccn12 ZINC000823762956 606841771 /nfs/dbraw/zinc/84/17/71/606841771.db2.gz XQUZRBGNVDQOCO-UHFFFAOYSA-N -1 3 366.450 3.217 20 0 FGADHM CCS[C@@H]1CC[C@H](N(C)C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000821449114 606871320 /nfs/dbraw/zinc/87/13/20/606871320.db2.gz QCEAFYIVGVVMCI-VBNZEHGJSA-N -1 3 374.514 3.243 20 0 FGADHM CCS[C@@H]1CC[C@H](N(C)C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000821449114 606871321 /nfs/dbraw/zinc/87/13/21/606871321.db2.gz QCEAFYIVGVVMCI-VBNZEHGJSA-N -1 3 374.514 3.243 20 0 FGADHM C[C@H]1CC[C@H](C(=O)Nc2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)O1 ZINC000820675813 606874377 /nfs/dbraw/zinc/87/43/77/606874377.db2.gz KXTVLLYFNWVICB-YVEFUNNKSA-N -1 3 365.393 3.165 20 0 FGADHM C[C@H]1CC[C@H](C(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)O1 ZINC000820675813 606874379 /nfs/dbraw/zinc/87/43/79/606874379.db2.gz KXTVLLYFNWVICB-YVEFUNNKSA-N -1 3 365.393 3.165 20 0 FGADHM c1ccc(N[C@@H]2CCCN(c3nc4ccccc4cc3-c3nnn[n-]3)C2)cc1 ZINC000823786721 606876390 /nfs/dbraw/zinc/87/63/90/606876390.db2.gz CQVQVCAWZWTQIZ-QGZVFWFLSA-N -1 3 371.448 3.496 20 0 FGADHM c1ccc(N[C@@H]2CCCN(c3nc4ccccc4cc3-c3nn[n-]n3)C2)cc1 ZINC000823786721 606876391 /nfs/dbraw/zinc/87/63/91/606876391.db2.gz CQVQVCAWZWTQIZ-QGZVFWFLSA-N -1 3 371.448 3.496 20 0 FGADHM CC1(OC(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)CCC1 ZINC000820628798 606895500 /nfs/dbraw/zinc/89/55/00/606895500.db2.gz NZXBOLCISGOLNH-UHFFFAOYSA-N -1 3 354.366 3.138 20 0 FGADHM CCc1nnc(N2CCC[C@@H]2c2ccsc2)c(-c2nnn[n-]2)c1CC ZINC000821521706 606920245 /nfs/dbraw/zinc/92/02/45/606920245.db2.gz GTZBEGUNDZGEFD-CQSZACIVSA-N -1 3 355.471 3.185 20 0 FGADHM CCc1nnc(N2CCC[C@@H]2c2ccsc2)c(-c2nn[n-]n2)c1CC ZINC000821521706 606920246 /nfs/dbraw/zinc/92/02/46/606920246.db2.gz GTZBEGUNDZGEFD-CQSZACIVSA-N -1 3 355.471 3.185 20 0 FGADHM CC(C)c1ccc(N(C)C(=O)COc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000820192461 606936122 /nfs/dbraw/zinc/93/61/22/606936122.db2.gz OVDKVEPZTHYFEK-UHFFFAOYSA-N -1 3 351.410 3.032 20 0 FGADHM CCc1nnc(NC[C@H]2CCCO[C@H]2C(C)(C)C)c(-c2nnn[n-]2)c1CC ZINC000821534655 606937116 /nfs/dbraw/zinc/93/71/16/606937116.db2.gz BPZHMUFYQVKAHU-MLGOLLRUSA-N -1 3 373.505 3.035 20 0 FGADHM CCc1nnc(NC[C@H]2CCCO[C@H]2C(C)(C)C)c(-c2nn[n-]n2)c1CC ZINC000821534655 606937117 /nfs/dbraw/zinc/93/71/17/606937117.db2.gz BPZHMUFYQVKAHU-MLGOLLRUSA-N -1 3 373.505 3.035 20 0 FGADHM CC(C)C1CCC(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000820038723 606938050 /nfs/dbraw/zinc/93/80/50/606938050.db2.gz QKWZTLFVFYAWBU-UHFFFAOYSA-N -1 3 359.499 3.290 20 0 FGADHM CC(C)C1CCC(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000820038723 606938052 /nfs/dbraw/zinc/93/80/52/606938052.db2.gz QKWZTLFVFYAWBU-UHFFFAOYSA-N -1 3 359.499 3.290 20 0 FGADHM CC(C)C[C@H](CCO)CNc1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000820057296 606939453 /nfs/dbraw/zinc/93/94/53/606939453.db2.gz XQWJMASSNIAQTD-NSHDSACASA-N -1 3 357.380 3.342 20 0 FGADHM CC(C)C[C@H](CCO)CNc1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000820057296 606939455 /nfs/dbraw/zinc/93/94/55/606939455.db2.gz XQWJMASSNIAQTD-NSHDSACASA-N -1 3 357.380 3.342 20 0 FGADHM CC[C@]1(C)CCN(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(C)C)C1 ZINC000820951288 606952891 /nfs/dbraw/zinc/95/28/91/606952891.db2.gz XQNCCZAHBNHREZ-GOSISDBHSA-N -1 3 358.446 3.308 20 0 FGADHM CC[C@]1(C)CCN(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(C)C)C1 ZINC000820951288 606952892 /nfs/dbraw/zinc/95/28/92/606952892.db2.gz XQNCCZAHBNHREZ-GOSISDBHSA-N -1 3 358.446 3.308 20 0 FGADHM CN(C(=O)c1ccc2c(c1)CCC2)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821574293 606959210 /nfs/dbraw/zinc/95/92/10/606959210.db2.gz AFXWDFRARDBNMR-UHFFFAOYSA-N -1 3 353.813 3.285 20 0 FGADHM CN(C(=O)c1ccc2c(c1)CCC2)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821574293 606959212 /nfs/dbraw/zinc/95/92/12/606959212.db2.gz AFXWDFRARDBNMR-UHFFFAOYSA-N -1 3 353.813 3.285 20 0 FGADHM CN(C(=O)Cc1ccc(F)cc1F)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821570759 606962511 /nfs/dbraw/zinc/96/25/11/606962511.db2.gz JTHPRKIJYOMMEF-UHFFFAOYSA-N -1 3 363.755 3.004 20 0 FGADHM CN(C(=O)Cc1ccc(F)cc1F)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821570759 606962512 /nfs/dbraw/zinc/96/25/12/606962512.db2.gz JTHPRKIJYOMMEF-UHFFFAOYSA-N -1 3 363.755 3.004 20 0 FGADHM CCC(=O)c1ccc(C(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)cc1 ZINC000820838057 606964359 /nfs/dbraw/zinc/96/43/59/606964359.db2.gz PBCVHFDLQLDALI-UHFFFAOYSA-N -1 3 369.812 3.389 20 0 FGADHM CCC(=O)c1ccc(C(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)cc1 ZINC000820838057 606964360 /nfs/dbraw/zinc/96/43/60/606964360.db2.gz PBCVHFDLQLDALI-UHFFFAOYSA-N -1 3 369.812 3.389 20 0 FGADHM CN(C(=O)c1csc(C2CC2)n1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821574726 606964902 /nfs/dbraw/zinc/96/49/02/606964902.db2.gz UOLZSIBLKQLRBF-UHFFFAOYSA-N -1 3 360.830 3.131 20 0 FGADHM CN(C(=O)c1csc(C2CC2)n1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821574726 606964904 /nfs/dbraw/zinc/96/49/04/606964904.db2.gz UOLZSIBLKQLRBF-UHFFFAOYSA-N -1 3 360.830 3.131 20 0 FGADHM CC(C)c1cc(C(=O)N(C)c2ccccc2-c2nnn[n-]2)nn1C(C)(C)C ZINC000820187837 606970644 /nfs/dbraw/zinc/97/06/44/606970644.db2.gz VGTCBBUJMROOKJ-UHFFFAOYSA-N -1 3 367.457 3.218 20 0 FGADHM CC(C)c1cc(C(=O)N(C)c2ccccc2-c2nn[n-]n2)nn1C(C)(C)C ZINC000820187837 606970645 /nfs/dbraw/zinc/97/06/45/606970645.db2.gz VGTCBBUJMROOKJ-UHFFFAOYSA-N -1 3 367.457 3.218 20 0 FGADHM C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)N1Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820803904 606971524 /nfs/dbraw/zinc/97/15/24/606971524.db2.gz JLWAEENLHYQTTR-LPMFXHHGSA-N -1 3 367.428 3.356 20 0 FGADHM C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)N1Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820803904 606971526 /nfs/dbraw/zinc/97/15/26/606971526.db2.gz JLWAEENLHYQTTR-LPMFXHHGSA-N -1 3 367.428 3.356 20 0 FGADHM Cc1ccccc1[C@@H](C)NC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000822345420 606982999 /nfs/dbraw/zinc/98/29/99/606982999.db2.gz IQZJQBJKDXEVCY-CQSZACIVSA-N -1 3 365.437 3.210 20 0 FGADHM Cc1ccccc1[C@@H](C)NC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000822345420 606983001 /nfs/dbraw/zinc/98/30/01/606983001.db2.gz IQZJQBJKDXEVCY-CQSZACIVSA-N -1 3 365.437 3.210 20 0 FGADHM Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000822207122 606987390 /nfs/dbraw/zinc/98/73/90/606987390.db2.gz LJRYPQSKGQSBOM-CYBMUJFWSA-N -1 3 365.441 3.134 20 0 FGADHM Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000822207122 606987391 /nfs/dbraw/zinc/98/73/91/606987391.db2.gz LJRYPQSKGQSBOM-CYBMUJFWSA-N -1 3 365.441 3.134 20 0 FGADHM Fc1cc(-c2nnn[n-]2)ccc1CSCc1cccc2nsnc21 ZINC000822744412 606989377 /nfs/dbraw/zinc/98/93/77/606989377.db2.gz SJBHMPNPWWMNFT-UHFFFAOYSA-N -1 3 358.427 3.444 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1CSCc1cccc2nsnc21 ZINC000822744412 606989379 /nfs/dbraw/zinc/98/93/79/606989379.db2.gz SJBHMPNPWWMNFT-UHFFFAOYSA-N -1 3 358.427 3.444 20 0 FGADHM Cc1ccc(OCCC(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)c(C)c1 ZINC000822262512 606993794 /nfs/dbraw/zinc/99/37/94/606993794.db2.gz ANSXAUGBEBGKOZ-UHFFFAOYSA-N -1 3 370.384 3.135 20 0 FGADHM Cc1ccc(OCCC(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)c(C)c1 ZINC000822262512 606993796 /nfs/dbraw/zinc/99/37/96/606993796.db2.gz ANSXAUGBEBGKOZ-UHFFFAOYSA-N -1 3 370.384 3.135 20 0 FGADHM CCOc1ccc(CCC(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000821417534 606996922 /nfs/dbraw/zinc/99/69/22/606996922.db2.gz NVCWOZDUZVTFHJ-UHFFFAOYSA-N -1 3 370.384 3.081 20 0 FGADHM CCOc1ccc(CCC(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000821417534 606996923 /nfs/dbraw/zinc/99/69/23/606996923.db2.gz NVCWOZDUZVTFHJ-UHFFFAOYSA-N -1 3 370.384 3.081 20 0 FGADHM C[C@@H](Cc1ccccc1F)C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820300038 606999445 /nfs/dbraw/zinc/99/94/45/606999445.db2.gz NDRWEIGNFBFSNN-NSHDSACASA-N -1 3 358.348 3.067 20 0 FGADHM C[C@@H](Cc1ccccc1F)C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820300038 606999446 /nfs/dbraw/zinc/99/94/46/606999446.db2.gz NDRWEIGNFBFSNN-NSHDSACASA-N -1 3 358.348 3.067 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000823422588 607002362 /nfs/dbraw/zinc/00/23/62/607002362.db2.gz XLFMWEGWKJOAAX-NEPJUHHUSA-N -1 3 374.322 3.131 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000823422588 607002365 /nfs/dbraw/zinc/00/23/65/607002365.db2.gz XLFMWEGWKJOAAX-NEPJUHHUSA-N -1 3 374.322 3.131 20 0 FGADHM O=C(C/C=C/c1cccc(F)c1)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822945572 607002628 /nfs/dbraw/zinc/00/26/28/607002628.db2.gz KGXUBOKKIMMGQH-DUXPYHPUSA-N -1 3 356.332 3.292 20 0 FGADHM O=C(C/C=C/c1cccc(F)c1)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822945572 607002630 /nfs/dbraw/zinc/00/26/30/607002630.db2.gz KGXUBOKKIMMGQH-DUXPYHPUSA-N -1 3 356.332 3.292 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000823422004 607002641 /nfs/dbraw/zinc/00/26/41/607002641.db2.gz MRJWEYPBAUBKJU-YPMHNXCESA-N -1 3 374.322 3.131 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000823422004 607002643 /nfs/dbraw/zinc/00/26/43/607002643.db2.gz MRJWEYPBAUBKJU-YPMHNXCESA-N -1 3 374.322 3.131 20 0 FGADHM C[C@H](c1ccccc1)N(C)C(=O)CSc1cccc(-c2nnn[n-]2)c1 ZINC000820563239 607013447 /nfs/dbraw/zinc/01/34/47/607013447.db2.gz PCFPZZBAWQUWKL-CYBMUJFWSA-N -1 3 353.451 3.178 20 0 FGADHM C[C@H](c1ccccc1)N(C)C(=O)CSc1cccc(-c2nn[n-]n2)c1 ZINC000820563239 607013449 /nfs/dbraw/zinc/01/34/49/607013449.db2.gz PCFPZZBAWQUWKL-CYBMUJFWSA-N -1 3 353.451 3.178 20 0 FGADHM Cc1ccccc1CCNC(=O)[C@H](C)Sc1cccc(-c2nnn[n-]2)c1 ZINC000822356081 607017723 /nfs/dbraw/zinc/01/77/23/607017723.db2.gz IQJXIHDZEOHDQF-AWEZNQCLSA-N -1 3 367.478 3.015 20 0 FGADHM Cc1ccccc1CCNC(=O)[C@H](C)Sc1cccc(-c2nn[n-]n2)c1 ZINC000822356081 607017725 /nfs/dbraw/zinc/01/77/25/607017725.db2.gz IQJXIHDZEOHDQF-AWEZNQCLSA-N -1 3 367.478 3.015 20 0 FGADHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1cccc2[nH]ccc21 ZINC000820001379 607019691 /nfs/dbraw/zinc/01/96/91/607019691.db2.gz KHEBEZYQETYQIY-UHFFFAOYSA-N -1 3 362.393 3.144 20 0 FGADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cccc2[nH]ccc21 ZINC000820001379 607019692 /nfs/dbraw/zinc/01/96/92/607019692.db2.gz KHEBEZYQETYQIY-UHFFFAOYSA-N -1 3 362.393 3.144 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1OCC(=O)Nc1ccccc1C(C)(C)C ZINC000822221180 607029706 /nfs/dbraw/zinc/02/97/06/607029706.db2.gz DMBJUJVTMCALKP-UHFFFAOYSA-N -1 3 365.437 3.490 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1OCC(=O)Nc1ccccc1C(C)(C)C ZINC000822221180 607029708 /nfs/dbraw/zinc/02/97/08/607029708.db2.gz DMBJUJVTMCALKP-UHFFFAOYSA-N -1 3 365.437 3.490 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1OCC(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000822221523 607030396 /nfs/dbraw/zinc/03/03/96/607030396.db2.gz SAVZVGIIYRJAPM-LBPRGKRZSA-N -1 3 371.828 3.085 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1OCC(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000822221523 607030398 /nfs/dbraw/zinc/03/03/98/607030398.db2.gz SAVZVGIIYRJAPM-LBPRGKRZSA-N -1 3 371.828 3.085 20 0 FGADHM Fc1cc(F)c2c(c1)CN(c1cc(-c3nnn[n-]3)c3ccccc3n1)CC2 ZINC000822753196 607040713 /nfs/dbraw/zinc/04/07/13/607040713.db2.gz IKWNFFVWAXGHJV-UHFFFAOYSA-N -1 3 364.359 3.256 20 0 FGADHM Fc1cc(F)c2c(c1)CN(c1cc(-c3nn[n-]n3)c3ccccc3n1)CC2 ZINC000822753196 607040715 /nfs/dbraw/zinc/04/07/15/607040715.db2.gz IKWNFFVWAXGHJV-UHFFFAOYSA-N -1 3 364.359 3.256 20 0 FGADHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H]1C[C@H]1C1CCCCC1 ZINC000819997407 607044046 /nfs/dbraw/zinc/04/40/46/607044046.db2.gz VBELDGKVTJKUKX-IRXDYDNUSA-N -1 3 369.469 3.109 20 0 FGADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H]1C[C@H]1C1CCCCC1 ZINC000819997407 607044049 /nfs/dbraw/zinc/04/40/49/607044049.db2.gz VBELDGKVTJKUKX-IRXDYDNUSA-N -1 3 369.469 3.109 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)Nc1c(F)cccc1NC1CC1 ZINC000822927973 607044700 /nfs/dbraw/zinc/04/47/00/607044700.db2.gz BWZJFPGRUFTWTP-DHZHZOJOSA-N -1 3 364.384 3.232 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)Nc1c(F)cccc1NC1CC1 ZINC000822927973 607044702 /nfs/dbraw/zinc/04/47/02/607044702.db2.gz BWZJFPGRUFTWTP-DHZHZOJOSA-N -1 3 364.384 3.232 20 0 FGADHM CC(C)c1cnc(NC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000820196806 607047760 /nfs/dbraw/zinc/04/77/60/607047760.db2.gz CXSALYMOHOJPOH-UHFFFAOYSA-N -1 3 372.454 3.243 20 0 FGADHM Cc1cccc(C)c1CNC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822294375 607055865 /nfs/dbraw/zinc/05/58/65/607055865.db2.gz YJGSFIOFARSFMC-CQSZACIVSA-N -1 3 350.426 3.044 20 0 FGADHM Cc1cccc(C)c1CNC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822294375 607055867 /nfs/dbraw/zinc/05/58/67/607055867.db2.gz YJGSFIOFARSFMC-CQSZACIVSA-N -1 3 350.426 3.044 20 0 FGADHM Cc1nn(C(C)(C)C)cc1[C@H](C)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000822486974 607058114 /nfs/dbraw/zinc/05/81/14/607058114.db2.gz VOQNNGDLMBLHFE-NSHDSACASA-N -1 3 357.437 3.117 20 0 FGADHM Fc1ccc(-c2nnn[n-]2)c(CN2CCO[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000822757837 607059312 /nfs/dbraw/zinc/05/93/12/607059312.db2.gz GEPNAKZKSINLHL-KRWDZBQOSA-N -1 3 373.819 3.233 20 0 FGADHM Fc1ccc(-c2nn[n-]n2)c(CN2CCO[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000822757837 607059314 /nfs/dbraw/zinc/05/93/14/607059314.db2.gz GEPNAKZKSINLHL-KRWDZBQOSA-N -1 3 373.819 3.233 20 0 FGADHM CN(Cc1nc(C(F)(F)F)cs1)Cc1cc(F)ccc1-c1nnn[n-]1 ZINC000821617013 607070422 /nfs/dbraw/zinc/07/04/22/607070422.db2.gz SIBJURNGXXMCPW-UHFFFAOYSA-N -1 3 372.351 3.113 20 0 FGADHM CN(Cc1nc(C(F)(F)F)cs1)Cc1cc(F)ccc1-c1nn[n-]n1 ZINC000821617013 607070424 /nfs/dbraw/zinc/07/04/24/607070424.db2.gz SIBJURNGXXMCPW-UHFFFAOYSA-N -1 3 372.351 3.113 20 0 FGADHM Cc1cc2ccccc2n1CC(=O)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000822212673 607075470 /nfs/dbraw/zinc/07/54/70/607075470.db2.gz BINIBOMXIHUAGG-UHFFFAOYSA-N -1 3 365.368 3.012 20 0 FGADHM Cc1cc2ccccc2n1CC(=O)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000822212673 607075472 /nfs/dbraw/zinc/07/54/72/607075472.db2.gz BINIBOMXIHUAGG-UHFFFAOYSA-N -1 3 365.368 3.012 20 0 FGADHM O=C(C=Cc1ccc(Cl)s1)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000822930019 607075919 /nfs/dbraw/zinc/07/59/19/607075919.db2.gz XPCBZOUSLTYLSQ-ZZXKWVIFSA-N -1 3 364.789 3.477 20 0 FGADHM O=C(C=Cc1ccc(Cl)s1)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000822930019 607075921 /nfs/dbraw/zinc/07/59/21/607075921.db2.gz XPCBZOUSLTYLSQ-ZZXKWVIFSA-N -1 3 364.789 3.477 20 0 FGADHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)c1[nH]c2ccccc2c1Cl ZINC000823413231 607078186 /nfs/dbraw/zinc/07/81/86/607078186.db2.gz CQIAXWRVZYGXDW-UHFFFAOYSA-N -1 3 371.759 3.498 20 0 FGADHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)c1[nH]c2ccccc2c1Cl ZINC000823413231 607078187 /nfs/dbraw/zinc/07/81/87/607078187.db2.gz CQIAXWRVZYGXDW-UHFFFAOYSA-N -1 3 371.759 3.498 20 0 FGADHM COc1cc(Cl)ccc1C(=O)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000821717461 607080884 /nfs/dbraw/zinc/08/08/84/607080884.db2.gz NYQSJZQTPZOHDO-UHFFFAOYSA-N -1 3 362.748 3.025 20 0 FGADHM COc1cc(Cl)ccc1C(=O)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000821717461 607080886 /nfs/dbraw/zinc/08/08/86/607080886.db2.gz NYQSJZQTPZOHDO-UHFFFAOYSA-N -1 3 362.748 3.025 20 0 FGADHM CC(C)Oc1ccccc1C(=O)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000820178587 607082034 /nfs/dbraw/zinc/08/20/34/607082034.db2.gz VCYRILOSOWSLGW-UHFFFAOYSA-N -1 3 356.357 3.150 20 0 FGADHM CC(C)Oc1ccccc1C(=O)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000820178587 607082036 /nfs/dbraw/zinc/08/20/36/607082036.db2.gz VCYRILOSOWSLGW-UHFFFAOYSA-N -1 3 356.357 3.150 20 0 FGADHM O=C(C[C@@H]1CCOc2ccccc21)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000822946180 607084340 /nfs/dbraw/zinc/08/43/40/607084340.db2.gz WPCNNDVUNBDKDK-LBPRGKRZSA-N -1 3 368.368 3.005 20 0 FGADHM O=C(C[C@@H]1CCOc2ccccc21)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000822946180 607084342 /nfs/dbraw/zinc/08/43/42/607084342.db2.gz WPCNNDVUNBDKDK-LBPRGKRZSA-N -1 3 368.368 3.005 20 0 FGADHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)[C@H]1C[C@H]1c1c(F)cccc1F ZINC000823413235 607084445 /nfs/dbraw/zinc/08/44/45/607084445.db2.gz CRMUECIJAWZTIQ-OLZOCXBDSA-N -1 3 374.322 3.131 20 0 FGADHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)[C@H]1C[C@H]1c1c(F)cccc1F ZINC000823413235 607084446 /nfs/dbraw/zinc/08/44/46/607084446.db2.gz CRMUECIJAWZTIQ-OLZOCXBDSA-N -1 3 374.322 3.131 20 0 FGADHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000823413890 607084925 /nfs/dbraw/zinc/08/49/25/607084925.db2.gz OXNKPPODZIMZRL-ZFWWWQNUSA-N -1 3 374.322 3.131 20 0 FGADHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000823413890 607084926 /nfs/dbraw/zinc/08/49/26/607084926.db2.gz OXNKPPODZIMZRL-ZFWWWQNUSA-N -1 3 374.322 3.131 20 0 FGADHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)c1cccc(F)c1Cl ZINC000823418404 607086888 /nfs/dbraw/zinc/08/68/88/607086888.db2.gz QYYPABRWZFFZID-UHFFFAOYSA-N -1 3 350.712 3.155 20 0 FGADHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)c1cccc(F)c1Cl ZINC000823418404 607086889 /nfs/dbraw/zinc/08/68/89/607086889.db2.gz QYYPABRWZFFZID-UHFFFAOYSA-N -1 3 350.712 3.155 20 0 FGADHM C[C@@H](OC(=O)c1ccnn1C1CCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820518618 607091312 /nfs/dbraw/zinc/09/13/12/607091312.db2.gz HSBSAFPIHRSXMF-GFCCVEGCSA-N -1 3 352.398 3.096 20 0 FGADHM C[C@@H](OC(=O)c1ccnn1C1CCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820518618 607091313 /nfs/dbraw/zinc/09/13/13/607091313.db2.gz HSBSAFPIHRSXMF-GFCCVEGCSA-N -1 3 352.398 3.096 20 0 FGADHM CC1(C)C[C@H](NC(=O)c2cc(-c3nnn[n-]3)cs2)c2ccc(F)cc2O1 ZINC000820590359 607098978 /nfs/dbraw/zinc/09/89/78/607098978.db2.gz STMWHSXRUWUUIS-LBPRGKRZSA-N -1 3 373.413 3.100 20 0 FGADHM CC1(C)C[C@H](NC(=O)c2cc(-c3nn[n-]n3)cs2)c2ccc(F)cc2O1 ZINC000820590359 607098980 /nfs/dbraw/zinc/09/89/80/607098980.db2.gz STMWHSXRUWUUIS-LBPRGKRZSA-N -1 3 373.413 3.100 20 0 FGADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H](C)Oc1ccc(C)cc1 ZINC000821292803 607099214 /nfs/dbraw/zinc/09/92/14/607099214.db2.gz DKZOURAXNOIGPO-ZDUSSCGKSA-N -1 3 366.425 3.013 20 0 FGADHM C[C@@H](Nc1ccccc1O[C@H]1CCOC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820461868 607110644 /nfs/dbraw/zinc/11/06/44/607110644.db2.gz RTBWVWDVXMGUJY-CJNGLKHVSA-N -1 3 351.410 3.208 20 0 FGADHM C[C@@H](Nc1ccccc1O[C@H]1CCOC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820461868 607110645 /nfs/dbraw/zinc/11/06/45/607110645.db2.gz RTBWVWDVXMGUJY-CJNGLKHVSA-N -1 3 351.410 3.208 20 0 FGADHM C[C@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)c1ccccc1-n1cccn1 ZINC000820461424 607118981 /nfs/dbraw/zinc/11/89/81/607118981.db2.gz JSDOHRTUTDPPFD-NSHDSACASA-N -1 3 366.816 3.274 20 0 FGADHM C[C@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)c1ccccc1-n1cccn1 ZINC000820461424 607118982 /nfs/dbraw/zinc/11/89/82/607118982.db2.gz JSDOHRTUTDPPFD-NSHDSACASA-N -1 3 366.816 3.274 20 0 FGADHM CSC[C@H]1CCCN1C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000821962587 607121006 /nfs/dbraw/zinc/12/10/06/607121006.db2.gz STFHSONOPCJNHG-SNVBAGLBSA-N -1 3 368.919 3.044 20 0 FGADHM CSC[C@H]1CCCN1C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000821962587 607121007 /nfs/dbraw/zinc/12/10/07/607121007.db2.gz STFHSONOPCJNHG-SNVBAGLBSA-N -1 3 368.919 3.044 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cc(C)c(F)cc1Cl ZINC000821766125 607124579 /nfs/dbraw/zinc/12/45/79/607124579.db2.gz RXWWOICVSGYTRJ-UHFFFAOYSA-N -1 3 361.764 3.229 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(C)c(F)cc1Cl ZINC000821766125 607124581 /nfs/dbraw/zinc/12/45/81/607124581.db2.gz RXWWOICVSGYTRJ-UHFFFAOYSA-N -1 3 361.764 3.229 20 0 FGADHM Clc1cc(-c2nn[n-]n2)ccc1NCc1nc(-c2ccsc2)no1 ZINC000822564319 607126323 /nfs/dbraw/zinc/12/63/23/607126323.db2.gz ZOJOUAHSLHDNGU-UHFFFAOYSA-N -1 3 359.802 3.244 20 0 FGADHM Clc1ccc2ncc(-c3nnn[n-]3)c(N[C@@H]3CCOC4(CCC4)C3)c2c1 ZINC000822582518 607132879 /nfs/dbraw/zinc/13/28/79/607132879.db2.gz VRLVPTHYUPUVKI-GFCCVEGCSA-N -1 3 370.844 3.004 20 0 FGADHM Clc1ccc2ncc(-c3nn[n-]n3)c(N[C@@H]3CCOC4(CCC4)C3)c2c1 ZINC000822582518 607132880 /nfs/dbraw/zinc/13/28/80/607132880.db2.gz VRLVPTHYUPUVKI-GFCCVEGCSA-N -1 3 370.844 3.004 20 0 FGADHM FC(F)(F)c1ccc(N[C@@H]2CCOC3(CCC3)C2)c(-c2nnn[n-]2)c1 ZINC000822723446 607133050 /nfs/dbraw/zinc/13/30/50/607133050.db2.gz FKUQWEUBHUQGAP-LLVKDONJSA-N -1 3 353.348 3.399 20 0 FGADHM FC(F)(F)c1ccc(N[C@@H]2CCOC3(CCC3)C2)c(-c2nn[n-]n2)c1 ZINC000822723446 607133052 /nfs/dbraw/zinc/13/30/52/607133052.db2.gz FKUQWEUBHUQGAP-LLVKDONJSA-N -1 3 353.348 3.399 20 0 FGADHM Cc1cccc(C)c1NC(=O)[C@H](C)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000822293586 607134663 /nfs/dbraw/zinc/13/46/63/607134663.db2.gz CRNKLNLHXVDNRH-LBPRGKRZSA-N -1 3 355.373 3.029 20 0 FGADHM Cc1cccc(C)c1NC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000822293586 607134664 /nfs/dbraw/zinc/13/46/64/607134664.db2.gz CRNKLNLHXVDNRH-LBPRGKRZSA-N -1 3 355.373 3.029 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C[C@@H](OCC)C(C)C ZINC000821099449 607153598 /nfs/dbraw/zinc/15/35/98/607153598.db2.gz IMNQTEALFUVVNC-QGZVFWFLSA-N -1 3 359.474 3.057 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C[C@@H](OCC)C(C)C ZINC000821099449 607153599 /nfs/dbraw/zinc/15/35/99/607153599.db2.gz IMNQTEALFUVVNC-QGZVFWFLSA-N -1 3 359.474 3.057 20 0 FGADHM CCO[C@H](CC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C)C(C)C ZINC000821351445 607153722 /nfs/dbraw/zinc/15/37/22/607153722.db2.gz PYVGUHUJIJIGGE-QGZVFWFLSA-N -1 3 359.474 3.055 20 0 FGADHM CCO[C@H](CC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C)C(C)C ZINC000821351445 607153723 /nfs/dbraw/zinc/15/37/23/607153723.db2.gz PYVGUHUJIJIGGE-QGZVFWFLSA-N -1 3 359.474 3.055 20 0 FGADHM CCO[C@@H](CC(=O)N(CC(C)C)c1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000821352146 607153913 /nfs/dbraw/zinc/15/39/13/607153913.db2.gz XVLVRJSTSRQORX-KRWDZBQOSA-N -1 3 359.474 3.307 20 0 FGADHM CCO[C@@H](CC(=O)N(CC(C)C)c1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000821352146 607153915 /nfs/dbraw/zinc/15/39/15/607153915.db2.gz XVLVRJSTSRQORX-KRWDZBQOSA-N -1 3 359.474 3.307 20 0 FGADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1F)c1ccc(F)c(Cl)c1 ZINC000823422040 607155724 /nfs/dbraw/zinc/15/57/24/607155724.db2.gz NIKUXJRVIUAUNC-UHFFFAOYSA-N -1 3 350.712 3.155 20 0 FGADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1F)c1ccc(F)c(Cl)c1 ZINC000823422040 607155725 /nfs/dbraw/zinc/15/57/25/607155725.db2.gz NIKUXJRVIUAUNC-UHFFFAOYSA-N -1 3 350.712 3.155 20 0 FGADHM Cc1cc(C(=O)CSc2cc(-c3nnn[n-]3)ccn2)c(Cl)cc1F ZINC000822168755 607157441 /nfs/dbraw/zinc/15/74/41/607157441.db2.gz QUVYPDZTHUOLGY-UHFFFAOYSA-N -1 3 363.805 3.338 20 0 FGADHM Cc1cc(C(=O)CSc2cc(-c3nn[n-]n3)ccn2)c(Cl)cc1F ZINC000822168755 607157442 /nfs/dbraw/zinc/15/74/42/607157442.db2.gz QUVYPDZTHUOLGY-UHFFFAOYSA-N -1 3 363.805 3.338 20 0 FGADHM CC(C)CC[C@H]1CCCN1C(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000820072277 607163806 /nfs/dbraw/zinc/16/38/06/607163806.db2.gz DGGZTTCHKKAIDR-LSDHHAIUSA-N -1 3 357.458 3.061 20 0 FGADHM CC(C)CC[C@H]1CCCN1C(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000820072277 607163807 /nfs/dbraw/zinc/16/38/07/607163807.db2.gz DGGZTTCHKKAIDR-LSDHHAIUSA-N -1 3 357.458 3.061 20 0 FGADHM Fc1cc(OCc2nnc(-c3ccc(Cl)cc3)o2)ccc1-c1nnn[n-]1 ZINC000822753266 607173072 /nfs/dbraw/zinc/17/30/72/607173072.db2.gz LBAJHKMTDSDJNO-UHFFFAOYSA-N -1 3 372.747 3.288 20 0 FGADHM Fc1cc(OCc2nnc(-c3ccc(Cl)cc3)o2)ccc1-c1nn[n-]n1 ZINC000822753266 607173073 /nfs/dbraw/zinc/17/30/73/607173073.db2.gz LBAJHKMTDSDJNO-UHFFFAOYSA-N -1 3 372.747 3.288 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1ccc(Br)o1 ZINC000823318643 607190259 /nfs/dbraw/zinc/19/02/59/607190259.db2.gz GJSUUTZGTUSQHC-UHFFFAOYSA-N -1 3 368.578 3.128 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1ccc(Br)o1 ZINC000823318643 607190260 /nfs/dbraw/zinc/19/02/60/607190260.db2.gz GJSUUTZGTUSQHC-UHFFFAOYSA-N -1 3 368.578 3.128 20 0 FGADHM Cc1ccc(C)c(OCC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000822231769 607191939 /nfs/dbraw/zinc/19/19/39/607191939.db2.gz GVGMXACFHOYBTH-UHFFFAOYSA-N -1 3 357.801 3.154 20 0 FGADHM Cc1ccc(C)c(OCC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000822231769 607191940 /nfs/dbraw/zinc/19/19/40/607191940.db2.gz GVGMXACFHOYBTH-UHFFFAOYSA-N -1 3 357.801 3.154 20 0 FGADHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C1CCC(C)(C)CC1 ZINC000821689574 607192681 /nfs/dbraw/zinc/19/26/81/607192681.db2.gz CXZONPIZXWVXRD-UHFFFAOYSA-N -1 3 371.485 3.058 20 0 FGADHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C1CCC(C)(C)CC1 ZINC000821689574 607192682 /nfs/dbraw/zinc/19/26/82/607192682.db2.gz CXZONPIZXWVXRD-UHFFFAOYSA-N -1 3 371.485 3.058 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCc2ccc(F)c(F)c2C1 ZINC000822217660 607194373 /nfs/dbraw/zinc/19/43/73/607194373.db2.gz KLVCQKBUQBDBCU-UHFFFAOYSA-N -1 3 370.363 3.044 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCc2ccc(F)c(F)c2C1 ZINC000822217660 607194374 /nfs/dbraw/zinc/19/43/74/607194374.db2.gz KLVCQKBUQBDBCU-UHFFFAOYSA-N -1 3 370.363 3.044 20 0 FGADHM C[C@H](c1cccnc1)N(C)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820570542 607195615 /nfs/dbraw/zinc/19/56/15/607195615.db2.gz LYRPESNAVBICQT-SNVBAGLBSA-N -1 3 357.805 3.140 20 0 FGADHM C[C@H](c1cccnc1)N(C)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820570542 607195616 /nfs/dbraw/zinc/19/56/16/607195616.db2.gz LYRPESNAVBICQT-SNVBAGLBSA-N -1 3 357.805 3.140 20 0 FGADHM Cc1c[nH]c(-c2ccccc2NC(=O)C=Cc2ccccc2-c2nnn[n-]2)n1 ZINC000822130225 607225230 /nfs/dbraw/zinc/22/52/30/607225230.db2.gz RBMFZXWDENZQJR-ZHACJKMWSA-N -1 3 371.404 3.217 20 0 FGADHM Cc1c[nH]c(-c2ccccc2NC(=O)C=Cc2ccccc2-c2nn[n-]n2)n1 ZINC000822130225 607225231 /nfs/dbraw/zinc/22/52/31/607225231.db2.gz RBMFZXWDENZQJR-ZHACJKMWSA-N -1 3 371.404 3.217 20 0 FGADHM C[C@](O)(CNc1cc(-c2nnn[n-]2)ccc1C(F)(F)F)c1ccsc1 ZINC000820467496 607228067 /nfs/dbraw/zinc/22/80/67/607228067.db2.gz IMIRDGPSVZQKMM-AWEZNQCLSA-N -1 3 369.372 3.267 20 0 FGADHM C[C@](O)(CNc1cc(-c2nn[n-]n2)ccc1C(F)(F)F)c1ccsc1 ZINC000820467496 607228068 /nfs/dbraw/zinc/22/80/68/607228068.db2.gz IMIRDGPSVZQKMM-AWEZNQCLSA-N -1 3 369.372 3.267 20 0 FGADHM CCc1c(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cnn1C(C)(C)C ZINC000821462148 607241515 /nfs/dbraw/zinc/24/15/15/607241515.db2.gz WMOLEPPGFJAKMC-UHFFFAOYSA-N -1 3 373.848 3.286 20 0 FGADHM CCc1c(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cnn1C(C)(C)C ZINC000821462148 607241516 /nfs/dbraw/zinc/24/15/16/607241516.db2.gz WMOLEPPGFJAKMC-UHFFFAOYSA-N -1 3 373.848 3.286 20 0 FGADHM COc1ccc(C(C)(C)C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000821772673 607243543 /nfs/dbraw/zinc/24/35/43/607243543.db2.gz KTLGYEHUNROXML-UHFFFAOYSA-N -1 3 371.828 3.445 20 0 FGADHM COc1ccc(C(C)(C)C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000821772673 607243544 /nfs/dbraw/zinc/24/35/44/607243544.db2.gz KTLGYEHUNROXML-UHFFFAOYSA-N -1 3 371.828 3.445 20 0 FGADHM CCn1cc(CC(=O)Oc2ccc(-c3nnn[n-]3)cc2F)c2ccccc21 ZINC000821565379 607248580 /nfs/dbraw/zinc/24/85/80/607248580.db2.gz QDZPUSMBHHFTSI-UHFFFAOYSA-N -1 3 365.368 3.129 20 0 FGADHM CCn1cc(CC(=O)Oc2ccc(-c3nn[n-]n3)cc2F)c2ccccc21 ZINC000821565379 607248581 /nfs/dbraw/zinc/24/85/81/607248581.db2.gz QDZPUSMBHHFTSI-UHFFFAOYSA-N -1 3 365.368 3.129 20 0 FGADHM COc1ccc(SCCC(=O)Oc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000821845125 607249409 /nfs/dbraw/zinc/24/94/09/607249409.db2.gz BCMVLBWGGMMRET-UHFFFAOYSA-N -1 3 374.397 3.102 20 0 FGADHM COc1ccc(SCCC(=O)Oc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000821845125 607249410 /nfs/dbraw/zinc/24/94/10/607249410.db2.gz BCMVLBWGGMMRET-UHFFFAOYSA-N -1 3 374.397 3.102 20 0 FGADHM C[C@@H]1CC[C@@H](NC(=O)c2ncc(-c3nnn[n-]3)cc2Cl)c2ccccc21 ZINC000824915405 607780027 /nfs/dbraw/zinc/78/00/27/607780027.db2.gz FLJQTKQXHXUDQY-MEBBXXQBSA-N -1 3 368.828 3.284 20 0 FGADHM C[C@@H]1CC[C@@H](NC(=O)c2ncc(-c3nn[n-]n3)cc2Cl)c2ccccc21 ZINC000824915405 607780028 /nfs/dbraw/zinc/78/00/28/607780028.db2.gz FLJQTKQXHXUDQY-MEBBXXQBSA-N -1 3 368.828 3.284 20 0 FGADHM CC[C@@H](CC(=O)N(C)c1ccc(-c2nnn[n-]2)cc1)c1ccc(OC)cc1 ZINC000825082366 607785423 /nfs/dbraw/zinc/78/54/23/607785423.db2.gz SJHJONRFJFWQCR-AWEZNQCLSA-N -1 3 365.437 3.422 20 0 FGADHM CC[C@@H](CC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1)c1ccc(OC)cc1 ZINC000825082366 607785424 /nfs/dbraw/zinc/78/54/24/607785424.db2.gz SJHJONRFJFWQCR-AWEZNQCLSA-N -1 3 365.437 3.422 20 0 FGADHM Cc1cc(OCC(=O)N(C)c2ccccc2-c2nnn[n-]2)ccc1C(C)C ZINC000826271982 607786533 /nfs/dbraw/zinc/78/65/33/607786533.db2.gz PVNLYKXCPCNKKR-UHFFFAOYSA-N -1 3 365.437 3.340 20 0 FGADHM Cc1cc(OCC(=O)N(C)c2ccccc2-c2nn[n-]n2)ccc1C(C)C ZINC000826271982 607786534 /nfs/dbraw/zinc/78/65/34/607786534.db2.gz PVNLYKXCPCNKKR-UHFFFAOYSA-N -1 3 365.437 3.340 20 0 FGADHM CC(C)COc1cccc(C(=O)N(C)c2ccccc2-c2nnn[n-]2)c1 ZINC000824270784 607787940 /nfs/dbraw/zinc/78/79/40/607787940.db2.gz GUQYCQDPXIFJLV-UHFFFAOYSA-N -1 3 351.410 3.178 20 0 FGADHM CC(C)COc1cccc(C(=O)N(C)c2ccccc2-c2nn[n-]n2)c1 ZINC000824270784 607787941 /nfs/dbraw/zinc/78/79/41/607787941.db2.gz GUQYCQDPXIFJLV-UHFFFAOYSA-N -1 3 351.410 3.178 20 0 FGADHM Cc1nc(-c2ccco2)ccc1C(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC000826322861 607788822 /nfs/dbraw/zinc/78/88/22/607788822.db2.gz DXNVZQCJDMEHRG-UHFFFAOYSA-N -1 3 360.377 3.107 20 0 FGADHM Cc1nc(-c2ccco2)ccc1C(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC000826322861 607788823 /nfs/dbraw/zinc/78/88/23/607788823.db2.gz DXNVZQCJDMEHRG-UHFFFAOYSA-N -1 3 360.377 3.107 20 0 FGADHM CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC000824908156 607790605 /nfs/dbraw/zinc/79/06/05/607790605.db2.gz MVIYFHFAHDIBSN-RKVPGOIHSA-N -1 3 371.485 3.307 20 0 FGADHM CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC000824908156 607790606 /nfs/dbraw/zinc/79/06/06/607790606.db2.gz MVIYFHFAHDIBSN-RKVPGOIHSA-N -1 3 371.485 3.307 20 0 FGADHM CC[C@H](Oc1ccccc1C)C(=O)N(CC)c1ccc(-c2nnn[n-]2)cc1 ZINC000825159094 607800604 /nfs/dbraw/zinc/80/06/04/607800604.db2.gz IQBQCRDSIOLUOA-KRWDZBQOSA-N -1 3 365.437 3.386 20 0 FGADHM CC[C@H](Oc1ccccc1C)C(=O)N(CC)c1ccc(-c2nn[n-]n2)cc1 ZINC000825159094 607800605 /nfs/dbraw/zinc/80/06/05/607800605.db2.gz IQBQCRDSIOLUOA-KRWDZBQOSA-N -1 3 365.437 3.386 20 0 FGADHM Clc1cc(N2CCO[C@@]3(CCc4ccccc43)C2)ccc1-c1nnn[n-]1 ZINC000826350673 607811243 /nfs/dbraw/zinc/81/12/43/607811243.db2.gz GPXBMXQLXKSAFB-IBGZPJMESA-N -1 3 367.840 3.198 20 0 FGADHM Clc1cc(N2CCO[C@@]3(CCc4ccccc43)C2)ccc1-c1nn[n-]n1 ZINC000826350673 607811244 /nfs/dbraw/zinc/81/12/44/607811244.db2.gz GPXBMXQLXKSAFB-IBGZPJMESA-N -1 3 367.840 3.198 20 0 FGADHM C[C@@H](Cc1ccccc1Cl)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000824457578 607819346 /nfs/dbraw/zinc/81/93/46/607819346.db2.gz QDWPLTHBBGFPBB-NSHDSACASA-N -1 3 373.819 3.154 20 0 FGADHM C[C@@H](Cc1ccccc1Cl)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000824457578 607819347 /nfs/dbraw/zinc/81/93/47/607819347.db2.gz QDWPLTHBBGFPBB-NSHDSACASA-N -1 3 373.819 3.154 20 0 FGADHM CC(C)[C@@H](O)C(C)(C)CNc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000824200757 607819903 /nfs/dbraw/zinc/81/99/03/607819903.db2.gz UUMOJEHHDVCNGI-CYBMUJFWSA-N -1 3 357.380 3.341 20 0 FGADHM C[C@H](Cc1ccccc1Cl)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000824456912 607830312 /nfs/dbraw/zinc/83/03/12/607830312.db2.gz AKKIERZYXKBBSV-SNVBAGLBSA-N -1 3 359.792 3.477 20 0 FGADHM C[C@H](Cc1ccccc1Cl)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000824456912 607830313 /nfs/dbraw/zinc/83/03/13/607830313.db2.gz AKKIERZYXKBBSV-SNVBAGLBSA-N -1 3 359.792 3.477 20 0 FGADHM Cc1noc(C)c1[C@@H](C)CC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000826338273 607831073 /nfs/dbraw/zinc/83/10/73/607831073.db2.gz PVIYXJPFIBCILE-QMMMGPOBSA-N -1 3 360.805 3.257 20 0 FGADHM Cc1noc(C)c1[C@@H](C)CC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000826338273 607831074 /nfs/dbraw/zinc/83/10/74/607831074.db2.gz PVIYXJPFIBCILE-QMMMGPOBSA-N -1 3 360.805 3.257 20 0 FGADHM C[C@@H]1C[C@H](C)CN(C(=O)c2c(Cl)cc(-c3nnn[n-]3)cc2Cl)C1 ZINC000824874834 607831889 /nfs/dbraw/zinc/83/18/89/607831889.db2.gz GMOGFSOTGIVTFM-DTORHVGOSA-N -1 3 354.241 3.292 20 0 FGADHM C[C@@H]1C[C@H](C)CN(C(=O)c2c(Cl)cc(-c3nn[n-]n3)cc2Cl)C1 ZINC000824874834 607831890 /nfs/dbraw/zinc/83/18/90/607831890.db2.gz GMOGFSOTGIVTFM-DTORHVGOSA-N -1 3 354.241 3.292 20 0 FGADHM Fc1ccc(Oc2ccc(CNc3cnccc3-c3nnn[n-]3)cn2)cc1 ZINC000826376223 607840462 /nfs/dbraw/zinc/84/04/62/607840462.db2.gz TWHYUNCQIXMOKI-UHFFFAOYSA-N -1 3 363.356 3.200 20 0 FGADHM Fc1ccc(Oc2ccc(CNc3cnccc3-c3nn[n-]n3)cn2)cc1 ZINC000826376223 607840463 /nfs/dbraw/zinc/84/04/63/607840463.db2.gz TWHYUNCQIXMOKI-UHFFFAOYSA-N -1 3 363.356 3.200 20 0 FGADHM Cc1cccc(C(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)c1Cl ZINC000826296324 607854879 /nfs/dbraw/zinc/85/48/79/607854879.db2.gz RSKNLHFUUOOXQG-UHFFFAOYSA-N -1 3 353.813 3.248 20 0 FGADHM Cc1cccc(C(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)c1Cl ZINC000826296324 607854880 /nfs/dbraw/zinc/85/48/80/607854880.db2.gz RSKNLHFUUOOXQG-UHFFFAOYSA-N -1 3 353.813 3.248 20 0 FGADHM O[C@H](COc1cccc(Cl)c1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000826505109 607869773 /nfs/dbraw/zinc/86/97/73/607869773.db2.gz MUYRTGNGXRLZNE-GFCCVEGCSA-N -1 3 351.193 3.286 20 0 FGADHM O[C@H](COc1cccc(Cl)c1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000826505109 607869774 /nfs/dbraw/zinc/86/97/74/607869774.db2.gz MUYRTGNGXRLZNE-GFCCVEGCSA-N -1 3 351.193 3.286 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC[C@@H](O)c1ccc(C)cc1 ZINC000825608928 607872236 /nfs/dbraw/zinc/87/22/36/607872236.db2.gz FJDILFAJABKOGO-OAHLLOKOSA-N -1 3 374.828 3.340 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC[C@@H](O)c1ccc(C)cc1 ZINC000825608928 607872237 /nfs/dbraw/zinc/87/22/37/607872237.db2.gz FJDILFAJABKOGO-OAHLLOKOSA-N -1 3 374.828 3.340 20 0 FGADHM O[C@@H](COc1ccc(-c2nnn[n-]2)cc1F)c1ccc(C(F)(F)F)cc1 ZINC000826504547 607875225 /nfs/dbraw/zinc/87/52/25/607875225.db2.gz YKLKZPCYKNLNED-ZDUSSCGKSA-N -1 3 368.290 3.137 20 0 FGADHM O[C@@H](COc1ccc(-c2nn[n-]n2)cc1F)c1ccc(C(F)(F)F)cc1 ZINC000826504547 607875226 /nfs/dbraw/zinc/87/52/26/607875226.db2.gz YKLKZPCYKNLNED-ZDUSSCGKSA-N -1 3 368.290 3.137 20 0 FGADHM COCC(C)(C)C(=O)Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826148169 607880584 /nfs/dbraw/zinc/88/05/84/607880584.db2.gz AWRFKPRDTWDBQG-UHFFFAOYSA-N -1 3 352.394 3.112 20 0 FGADHM COCC(C)(C)C(=O)Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826148169 607880585 /nfs/dbraw/zinc/88/05/85/607880585.db2.gz AWRFKPRDTWDBQG-UHFFFAOYSA-N -1 3 352.394 3.112 20 0 FGADHM Cc1cc(C(=O)Cn2ccc(-c3nnn[n-]3)c2)c(C)n1Cc1ccccc1 ZINC000826257278 607890939 /nfs/dbraw/zinc/89/09/39/607890939.db2.gz VXNCVPVXKABDPK-UHFFFAOYSA-N -1 3 360.421 3.018 20 0 FGADHM Cc1cc(C(=O)Cn2ccc(-c3nn[n-]n3)c2)c(C)n1Cc1ccccc1 ZINC000826257278 607890940 /nfs/dbraw/zinc/89/09/40/607890940.db2.gz VXNCVPVXKABDPK-UHFFFAOYSA-N -1 3 360.421 3.018 20 0 FGADHM CC(C)Oc1cccc(CN(C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)c1 ZINC000824333256 607892681 /nfs/dbraw/zinc/89/26/81/607892681.db2.gz HDGSWKDCLYBAOL-UHFFFAOYSA-N -1 3 366.425 3.318 20 0 FGADHM CC(C)Oc1cccc(CN(C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)c1 ZINC000824333256 607892682 /nfs/dbraw/zinc/89/26/82/607892682.db2.gz HDGSWKDCLYBAOL-UHFFFAOYSA-N -1 3 366.425 3.318 20 0 FGADHM CC1=CCN(c2c(-c3nnn[n-]3)cnc3ccc(OC(F)F)cc32)CC1 ZINC000824858603 607903459 /nfs/dbraw/zinc/90/34/59/607903459.db2.gz KTQZBGMCKSOQKP-UHFFFAOYSA-N -1 3 358.352 3.173 20 0 FGADHM CC1=CCN(c2c(-c3nn[n-]n3)cnc3ccc(OC(F)F)cc32)CC1 ZINC000824858603 607903460 /nfs/dbraw/zinc/90/34/60/607903460.db2.gz KTQZBGMCKSOQKP-UHFFFAOYSA-N -1 3 358.352 3.173 20 0 FGADHM O=C(COC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826415503 607918484 /nfs/dbraw/zinc/91/84/84/607918484.db2.gz IIFVXAFMJUBBLE-XOKHGSTOSA-N -1 3 368.437 3.199 20 0 FGADHM O=C(COC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826415503 607918485 /nfs/dbraw/zinc/91/84/85/607918485.db2.gz IIFVXAFMJUBBLE-XOKHGSTOSA-N -1 3 368.437 3.199 20 0 FGADHM Cc1ccc(NC(=S)N2CCc3ccc(-c4nnn[n-]4)cc32)cc1F ZINC000826291739 607930476 /nfs/dbraw/zinc/93/04/76/607930476.db2.gz UGXXSABELHCVGJ-UHFFFAOYSA-N -1 3 354.414 3.074 20 0 FGADHM Cc1ccc(NC(=S)N2CCc3ccc(-c4nn[n-]n4)cc32)cc1F ZINC000826291739 607930477 /nfs/dbraw/zinc/93/04/77/607930477.db2.gz UGXXSABELHCVGJ-UHFFFAOYSA-N -1 3 354.414 3.074 20 0 FGADHM S=C(Nc1ccccc1Cl)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826511954 607930614 /nfs/dbraw/zinc/93/06/14/607930614.db2.gz KIWNMSPCVAYZRS-UHFFFAOYSA-N -1 3 356.842 3.280 20 0 FGADHM S=C(Nc1ccccc1Cl)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826511954 607930615 /nfs/dbraw/zinc/93/06/15/607930615.db2.gz KIWNMSPCVAYZRS-UHFFFAOYSA-N -1 3 356.842 3.280 20 0 FGADHM Cc1cccc(Cl)c1NC(=O)COc1ccc(-c2nn[n-]n2)cc1C ZINC000826255383 607931182 /nfs/dbraw/zinc/93/11/82/607931182.db2.gz WJOGXIWPCAEQKM-UHFFFAOYSA-N -1 3 357.801 3.154 20 0 FGADHM O=C(Cc1c(Cl)cccc1Cl)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826421397 607945722 /nfs/dbraw/zinc/94/57/22/607945722.db2.gz GORULQLEVOQKTL-UHFFFAOYSA-N -1 3 374.231 3.305 20 0 FGADHM O=C(Cc1c(Cl)cccc1Cl)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826421397 607945723 /nfs/dbraw/zinc/94/57/23/607945723.db2.gz GORULQLEVOQKTL-UHFFFAOYSA-N -1 3 374.231 3.305 20 0 FGADHM Cc1ccc([C@@H]2C[C@@H](OC(=O)c3cc(-c4nnn[n-]4)cs3)CCO2)cc1 ZINC000826285292 607946421 /nfs/dbraw/zinc/94/64/21/607946421.db2.gz UZGUECFVDZATCI-GJZGRUSLSA-N -1 3 370.434 3.314 20 0 FGADHM Cc1ccc([C@@H]2C[C@@H](OC(=O)c3cc(-c4nn[n-]n4)cs3)CCO2)cc1 ZINC000826285292 607946422 /nfs/dbraw/zinc/94/64/22/607946422.db2.gz UZGUECFVDZATCI-GJZGRUSLSA-N -1 3 370.434 3.314 20 0 FGADHM Cc1ccc2[nH]cc(CCC(=O)N3CCc4ccc(-c5nnn[n-]5)cc43)c2c1 ZINC000826293668 607946439 /nfs/dbraw/zinc/94/64/39/607946439.db2.gz XSRZDXOESFFUNK-UHFFFAOYSA-N -1 3 372.432 3.178 20 0 FGADHM Cc1ccc2[nH]cc(CCC(=O)N3CCc4ccc(-c5nn[n-]n5)cc43)c2c1 ZINC000826293668 607946440 /nfs/dbraw/zinc/94/64/40/607946440.db2.gz XSRZDXOESFFUNK-UHFFFAOYSA-N -1 3 372.432 3.178 20 0 FGADHM O=C(N1CCc2ccc(-c3nnn[n-]3)cc21)C1(c2ccccc2)CCCC1 ZINC000826426111 607947667 /nfs/dbraw/zinc/94/76/67/607947667.db2.gz FTOYYKIIPHEJGW-UHFFFAOYSA-N -1 3 359.433 3.268 20 0 FGADHM O=C(N1CCc2ccc(-c3nn[n-]n3)cc21)C1(c2ccccc2)CCCC1 ZINC000826426111 607947668 /nfs/dbraw/zinc/94/76/68/607947668.db2.gz FTOYYKIIPHEJGW-UHFFFAOYSA-N -1 3 359.433 3.268 20 0 FGADHM O=C(c1csc(-c2ccccc2)n1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826474930 607948394 /nfs/dbraw/zinc/94/83/94/607948394.db2.gz LNZUXGWMXVPVAU-UHFFFAOYSA-N -1 3 374.429 3.193 20 0 FGADHM O=C(c1csc(-c2ccccc2)n1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826474930 607948395 /nfs/dbraw/zinc/94/83/95/607948395.db2.gz LNZUXGWMXVPVAU-UHFFFAOYSA-N -1 3 374.429 3.193 20 0 FGADHM Cc1ccc([C@H]2C[C@H](OC(=O)c3sccc3-c3nnn[n-]3)CCO2)cc1 ZINC000826285135 607949172 /nfs/dbraw/zinc/94/91/72/607949172.db2.gz QBTQXGKANAEVMF-UKRRQHHQSA-N -1 3 370.434 3.314 20 0 FGADHM O=C(C=Cc1ccnc2ccccc12)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826402994 607952749 /nfs/dbraw/zinc/95/27/49/607952749.db2.gz HHBGEKFZDAVNSB-FPLPWBNLSA-N -1 3 368.400 3.017 20 0 FGADHM O=C(C=Cc1ccnc2ccccc12)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826402994 607952750 /nfs/dbraw/zinc/95/27/50/607952750.db2.gz HHBGEKFZDAVNSB-FPLPWBNLSA-N -1 3 368.400 3.017 20 0 FGADHM O=C(NC[C@H]1Cc2ccccc21)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000826435473 607964565 /nfs/dbraw/zinc/96/45/65/607964565.db2.gz PHZWLZRZXLVVDP-LLVKDONJSA-N -1 3 374.231 3.243 20 0 FGADHM O=C(NC[C@H]1Cc2ccccc21)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000826435473 607964566 /nfs/dbraw/zinc/96/45/66/607964566.db2.gz PHZWLZRZXLVVDP-LLVKDONJSA-N -1 3 374.231 3.243 20 0 FGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)C1CCC(F)(F)CC1 ZINC000824319168 607977859 /nfs/dbraw/zinc/97/78/59/607977859.db2.gz IACWEPADTKPQIH-UHFFFAOYSA-N -1 3 365.384 3.418 20 0 FGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)C1CCC(F)(F)CC1 ZINC000824319168 607977860 /nfs/dbraw/zinc/97/78/60/607977860.db2.gz IACWEPADTKPQIH-UHFFFAOYSA-N -1 3 365.384 3.418 20 0 FGADHM CC1(C)CCC(CNC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000824795988 607981024 /nfs/dbraw/zinc/98/10/24/607981024.db2.gz LADYPMBVDXKLRE-UHFFFAOYSA-N -1 3 360.437 3.021 20 0 FGADHM CC1(C)CCC(CNC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000824795988 607981025 /nfs/dbraw/zinc/98/10/25/607981025.db2.gz LADYPMBVDXKLRE-UHFFFAOYSA-N -1 3 360.437 3.021 20 0 FGADHM C[C@@H](NC(=O)N1CC=C(C(C)(C)C)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824492453 607986892 /nfs/dbraw/zinc/98/68/92/607986892.db2.gz ZEFAVUOQMTWRAW-CYBMUJFWSA-N -1 3 354.458 3.316 20 0 FGADHM C[C@@H](NC(=O)N1CC=C(C(C)(C)C)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824492453 607986893 /nfs/dbraw/zinc/98/68/93/607986893.db2.gz ZEFAVUOQMTWRAW-CYBMUJFWSA-N -1 3 354.458 3.316 20 0 FGADHM O=C(C=Cc1ccc(Cl)nc1)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000826400045 608000414 /nfs/dbraw/zinc/00/04/14/608000414.db2.gz NPZPUYHPDPLXDZ-FNORWQNLSA-N -1 3 372.841 3.117 20 0 FGADHM O=C(C=Cc1ccc(Cl)nc1)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000826400045 608000415 /nfs/dbraw/zinc/00/04/15/608000415.db2.gz NPZPUYHPDPLXDZ-FNORWQNLSA-N -1 3 372.841 3.117 20 0 FGADHM Cc1ccc(-c2ncco2)cc1NC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000826273818 608004085 /nfs/dbraw/zinc/00/40/85/608004085.db2.gz VSCNNNDJXADQTO-UHFFFAOYSA-N -1 3 360.377 3.011 20 0 FGADHM Cc1ccc(-c2ncco2)cc1NC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000826273818 608004086 /nfs/dbraw/zinc/00/40/86/608004086.db2.gz VSCNNNDJXADQTO-UHFFFAOYSA-N -1 3 360.377 3.011 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CC=C(C(C)(C)C)CC1 ZINC000826185185 608007386 /nfs/dbraw/zinc/00/73/86/608007386.db2.gz BHYILZKOEVMWRA-UHFFFAOYSA-N -1 3 356.430 3.085 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CC=C(C(C)(C)C)CC1 ZINC000826185185 608007387 /nfs/dbraw/zinc/00/73/87/608007387.db2.gz BHYILZKOEVMWRA-UHFFFAOYSA-N -1 3 356.430 3.085 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccnc(OC2CCC2)c1 ZINC000826452421 608015294 /nfs/dbraw/zinc/01/52/94/608015294.db2.gz SNTPHVZBWHMDGC-UHFFFAOYSA-N -1 3 370.800 3.099 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccnc(OC2CCC2)c1 ZINC000826452421 608015295 /nfs/dbraw/zinc/01/52/95/608015295.db2.gz SNTPHVZBWHMDGC-UHFFFAOYSA-N -1 3 370.800 3.099 20 0 FGADHM Cn1c2cc(Br)ccc2nc1-c1ccc(-c2nnn[n-]2)cc1F ZINC000826354789 608015776 /nfs/dbraw/zinc/01/57/76/608015776.db2.gz VBSKZWCUQPDIFX-UHFFFAOYSA-N -1 3 373.189 3.322 20 0 FGADHM Cn1c2cc(Br)ccc2nc1-c1ccc(-c2nn[n-]n2)cc1F ZINC000826354789 608015777 /nfs/dbraw/zinc/01/57/77/608015777.db2.gz VBSKZWCUQPDIFX-UHFFFAOYSA-N -1 3 373.189 3.322 20 0 FGADHM Cc1sc(NC(=O)c2cccc([C@H]3CCOC3)c2)c(-c2nnn[n-]2)c1C ZINC000826349961 608059404 /nfs/dbraw/zinc/05/94/04/608059404.db2.gz BHPKARBNVVWQGR-AWEZNQCLSA-N -1 3 369.450 3.301 20 0 FGADHM Cc1sc(NC(=O)c2cccc([C@H]3CCOC3)c2)c(-c2nn[n-]n2)c1C ZINC000826349961 608059405 /nfs/dbraw/zinc/05/94/05/608059405.db2.gz BHPKARBNVVWQGR-AWEZNQCLSA-N -1 3 369.450 3.301 20 0 FGADHM CC(C)CCCCCC(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824243535 608086747 /nfs/dbraw/zinc/08/67/47/608086747.db2.gz ISNCSVNNVXRSNF-SFHVURJKSA-N -1 3 371.485 3.373 20 0 FGADHM CC(C)CCCCCC(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824243535 608086746 /nfs/dbraw/zinc/08/67/46/608086746.db2.gz ISNCSVNNVXRSNF-SFHVURJKSA-N -1 3 371.485 3.373 20 0 FGADHM Fc1cc(COc2ccc(-c3nnn[n-]3)cc2Cl)c2c(c1)COCO2 ZINC000826372973 608089040 /nfs/dbraw/zinc/08/90/40/608089040.db2.gz UJJQTFFSGSLOPG-UHFFFAOYSA-N -1 3 362.748 3.105 20 0 FGADHM Fc1cc(COc2ccc(-c3nn[n-]n3)cc2Cl)c2c(c1)COCO2 ZINC000826372973 608089041 /nfs/dbraw/zinc/08/90/41/608089041.db2.gz UJJQTFFSGSLOPG-UHFFFAOYSA-N -1 3 362.748 3.105 20 0 FGADHM COCCOc1ccc(-c2nnn[n-]2)cc1NCc1ccc(SC)cc1 ZINC000826162652 608136659 /nfs/dbraw/zinc/13/66/59/608136659.db2.gz MACNTYDJCPFISM-UHFFFAOYSA-N -1 3 371.466 3.226 20 0 FGADHM COCCOc1ccc(-c2nn[n-]n2)cc1NCc1ccc(SC)cc1 ZINC000826162652 608136660 /nfs/dbraw/zinc/13/66/60/608136660.db2.gz MACNTYDJCPFISM-UHFFFAOYSA-N -1 3 371.466 3.226 20 0 FGADHM CC(C)(C)[C@H]1C[C@@H](Nc2nc3ccccc3cc2-c2nnn[n-]2)CCO1 ZINC000824077988 608149426 /nfs/dbraw/zinc/14/94/26/608149426.db2.gz GVAGXNUMYXKTSS-XJKSGUPXSA-N -1 3 352.442 3.421 20 0 FGADHM CC(C)(C)[C@H]1C[C@@H](Nc2nc3ccccc3cc2-c2nn[n-]n2)CCO1 ZINC000824077988 608149428 /nfs/dbraw/zinc/14/94/28/608149428.db2.gz GVAGXNUMYXKTSS-XJKSGUPXSA-N -1 3 352.442 3.421 20 0 FGADHM Cc1cc([C@@H]2CN(c3ccc(-c4nn[n-]n4)cc3F)CCO2)ccc1F ZINC000826266641 608151655 /nfs/dbraw/zinc/15/16/55/608151655.db2.gz WQQAMHAGVXNFHP-KRWDZBQOSA-N -1 3 357.364 3.031 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1COc1cccc(NC(=O)C(C)C)c1 ZINC000826184675 608152276 /nfs/dbraw/zinc/15/22/76/608152276.db2.gz GTRQYNOGANRQEH-UHFFFAOYSA-N -1 3 367.409 3.049 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1COc1cccc(NC(=O)C(C)C)c1 ZINC000826184675 608152278 /nfs/dbraw/zinc/15/22/78/608152278.db2.gz GTRQYNOGANRQEH-UHFFFAOYSA-N -1 3 367.409 3.049 20 0 FGADHM Cc1c(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)cnn1C(C)C ZINC000826234465 608158877 /nfs/dbraw/zinc/15/88/77/608158877.db2.gz XSUQMDZAKRLAMG-UHFFFAOYSA-N -1 3 367.457 3.003 20 0 FGADHM Cc1c(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)cnn1C(C)C ZINC000826234465 608158878 /nfs/dbraw/zinc/15/88/78/608158878.db2.gz XSUQMDZAKRLAMG-UHFFFAOYSA-N -1 3 367.457 3.003 20 0 FGADHM Cc1ccc(F)c([C@H](C)OC(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826289270 608165171 /nfs/dbraw/zinc/16/51/71/608165171.db2.gz SYJATVGOVQHVJU-QWHCGFSZSA-N -1 3 370.384 3.386 20 0 FGADHM C[C@H](OC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)c1ccco1 ZINC000826232368 608190129 /nfs/dbraw/zinc/19/01/29/608190129.db2.gz GCXVBOBODISJEG-ZDUSSCGKSA-N -1 3 356.382 3.313 20 0 FGADHM C[C@H](OC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)c1ccco1 ZINC000826232368 608190130 /nfs/dbraw/zinc/19/01/30/608190130.db2.gz GCXVBOBODISJEG-ZDUSSCGKSA-N -1 3 356.382 3.313 20 0 FGADHM CCC(C)(C)NC(=O)[C@H](C)Sc1cccc(Cl)c1-c1nnn[n-]1 ZINC000825044855 608205945 /nfs/dbraw/zinc/20/59/45/608205945.db2.gz UTJIQGGWLHIPAN-VIFPVBQESA-N -1 3 353.879 3.306 20 0 FGADHM CCC(C)(C)NC(=O)[C@H](C)Sc1cccc(Cl)c1-c1nn[n-]n1 ZINC000825044855 608205946 /nfs/dbraw/zinc/20/59/46/608205946.db2.gz UTJIQGGWLHIPAN-VIFPVBQESA-N -1 3 353.879 3.306 20 0 FGADHM O=C1[C@H](Sc2cccc(Cl)c2-c2nnn[n-]2)CCN1c1ccccc1 ZINC000826478021 608208143 /nfs/dbraw/zinc/20/81/43/608208143.db2.gz RWXCAHKQLAWNJX-CQSZACIVSA-N -1 3 371.853 3.418 20 0 FGADHM O=C1[C@H](Sc2cccc(Cl)c2-c2nn[n-]n2)CCN1c1ccccc1 ZINC000826478021 608208144 /nfs/dbraw/zinc/20/81/44/608208144.db2.gz RWXCAHKQLAWNJX-CQSZACIVSA-N -1 3 371.853 3.418 20 0 FGADHM c1ccc([C@H]2CN(c3ccc4cc(-c5nnn[n-]5)ccc4n3)CCCO2)cc1 ZINC000826520267 608228038 /nfs/dbraw/zinc/22/80/38/608228038.db2.gz DTRBLNBDCPRHCX-LJQANCHMSA-N -1 3 372.432 3.383 20 0 FGADHM c1ccc([C@H]2CN(c3ccc4cc(-c5nn[n-]n5)ccc4n3)CCCO2)cc1 ZINC000826520267 608228039 /nfs/dbraw/zinc/22/80/39/608228039.db2.gz DTRBLNBDCPRHCX-LJQANCHMSA-N -1 3 372.432 3.383 20 0 FGADHM c1ccc2c(c1)OC[C@H](CCNc1ccc3cc(-c4nnn[n-]4)ccc3n1)O2 ZINC000826524048 608234088 /nfs/dbraw/zinc/23/40/88/608234088.db2.gz HGTVRYADOFWKQH-HNNXBMFYSA-N -1 3 374.404 3.057 20 0 FGADHM c1ccc2c(c1)OC[C@H](CCNc1ccc3cc(-c4nn[n-]n4)ccc3n1)O2 ZINC000826524048 608234089 /nfs/dbraw/zinc/23/40/89/608234089.db2.gz HGTVRYADOFWKQH-HNNXBMFYSA-N -1 3 374.404 3.057 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C=Cc1ccc2[nH]ccc2c1 ZINC000826185283 608238661 /nfs/dbraw/zinc/23/86/61/608238661.db2.gz FWZRQTYKSFZWCM-CLTKARDFSA-N -1 3 360.377 3.009 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C=Cc1ccc2[nH]ccc2c1 ZINC000826185283 608238663 /nfs/dbraw/zinc/23/86/63/608238663.db2.gz FWZRQTYKSFZWCM-CLTKARDFSA-N -1 3 360.377 3.009 20 0 FGADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)OCc1cccc(F)c1Cl ZINC000826408808 608253570 /nfs/dbraw/zinc/25/35/70/608253570.db2.gz VXUDFVPDBHKKMS-UHFFFAOYSA-N -1 3 360.776 3.335 20 0 FGADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)OCc1cccc(F)c1Cl ZINC000826408808 608253571 /nfs/dbraw/zinc/25/35/71/608253571.db2.gz VXUDFVPDBHKKMS-UHFFFAOYSA-N -1 3 360.776 3.335 20 0 FGADHM CC(=O)CCCCCCC(=O)OCc1cn2ccccc2c1-c1nnn[n-]1 ZINC000823968208 608255729 /nfs/dbraw/zinc/25/57/29/608255729.db2.gz WYQHVJPWZLAOCK-UHFFFAOYSA-N -1 3 369.425 3.092 20 0 FGADHM CC(=O)CCCCCCC(=O)OCc1cn2ccccc2c1-c1nn[n-]n1 ZINC000823968208 608255731 /nfs/dbraw/zinc/25/57/31/608255731.db2.gz WYQHVJPWZLAOCK-UHFFFAOYSA-N -1 3 369.425 3.092 20 0 FGADHM FC(F)Oc1cc(-c2nnn[n-]2)ccc1CN(Cc1cccnc1)C1CC1 ZINC000826369438 608260472 /nfs/dbraw/zinc/26/04/72/608260472.db2.gz CQUYKBZNZDTJCS-UHFFFAOYSA-N -1 3 372.379 3.028 20 0 FGADHM FC(F)Oc1cc(-c2nn[n-]n2)ccc1CN(Cc1cccnc1)C1CC1 ZINC000826369438 608260474 /nfs/dbraw/zinc/26/04/74/608260474.db2.gz CQUYKBZNZDTJCS-UHFFFAOYSA-N -1 3 372.379 3.028 20 0 FGADHM C[C@@H]1CSC(SCc2ccc(-c3nnn[n-]3)cc2OC(F)F)=N1 ZINC000825012207 608265642 /nfs/dbraw/zinc/26/56/42/608265642.db2.gz FDPSCWCZZBEFSX-SSDOTTSWSA-N -1 3 357.411 3.193 20 0 FGADHM C[C@@H]1CSC(SCc2ccc(-c3nn[n-]n3)cc2OC(F)F)=N1 ZINC000825012207 608265643 /nfs/dbraw/zinc/26/56/43/608265643.db2.gz FDPSCWCZZBEFSX-SSDOTTSWSA-N -1 3 357.411 3.193 20 0 FGADHM CC[C@@H]1CC[C@H](C)N1C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000825192452 608269728 /nfs/dbraw/zinc/26/97/28/608269728.db2.gz GZJRNLKZQKZVNP-GXTWGEPZSA-N -1 3 358.446 3.449 20 0 FGADHM CC[C@@H]1CC[C@H](C)N1C(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000825192452 608269730 /nfs/dbraw/zinc/26/97/30/608269730.db2.gz GZJRNLKZQKZVNP-GXTWGEPZSA-N -1 3 358.446 3.449 20 0 FGADHM CCOc1ccccc1CNc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC000825653870 608276613 /nfs/dbraw/zinc/27/66/13/608276613.db2.gz LKJBLOUXLNHTCJ-UHFFFAOYSA-N -1 3 350.426 3.151 20 0 FGADHM CCOc1ccccc1CNc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC000825653870 608276614 /nfs/dbraw/zinc/27/66/14/608276614.db2.gz LKJBLOUXLNHTCJ-UHFFFAOYSA-N -1 3 350.426 3.151 20 0 FGADHM Fc1cccc2c1CC[C@@H]2Nc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC000826377800 608277664 /nfs/dbraw/zinc/27/76/64/608277664.db2.gz GOVJIJZPLSXCJP-KRWDZBQOSA-N -1 3 350.401 3.379 20 0 FGADHM Fc1cccc2c1CC[C@@H]2Nc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC000826377800 608277665 /nfs/dbraw/zinc/27/76/65/608277665.db2.gz GOVJIJZPLSXCJP-KRWDZBQOSA-N -1 3 350.401 3.379 20 0 FGADHM Cc1ccc(F)c(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(C)C)c1F ZINC000826289397 608277753 /nfs/dbraw/zinc/27/77/53/608277753.db2.gz YHQUQIFTAMSWQJ-UHFFFAOYSA-N -1 3 373.363 3.493 20 0 FGADHM Cc1ccc(F)c(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(C)C)c1F ZINC000826289397 608277754 /nfs/dbraw/zinc/27/77/54/608277754.db2.gz YHQUQIFTAMSWQJ-UHFFFAOYSA-N -1 3 373.363 3.493 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H](c1ccccc1)C1CC1 ZINC000825621159 608278379 /nfs/dbraw/zinc/27/83/79/608278379.db2.gz OGIVJZPXAWHDEB-GOSISDBHSA-N -1 3 363.421 3.398 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H](c1ccccc1)C1CC1 ZINC000825621159 608278381 /nfs/dbraw/zinc/27/83/81/608278381.db2.gz OGIVJZPXAWHDEB-GOSISDBHSA-N -1 3 363.421 3.398 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)c(N(C)C[C@@H]2CCCO[C@H]2c2ccccc2)n1 ZINC000826273773 608280343 /nfs/dbraw/zinc/28/03/43/608280343.db2.gz SWOSTJVGVKLIFN-WMZOPIPTSA-N -1 3 364.453 3.174 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)c(N(C)C[C@@H]2CCCO[C@H]2c2ccccc2)n1 ZINC000826273773 608280345 /nfs/dbraw/zinc/28/03/45/608280345.db2.gz SWOSTJVGVKLIFN-WMZOPIPTSA-N -1 3 364.453 3.174 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)c(NCc2ccc(Br)cc2F)n1 ZINC000826276666 608287252 /nfs/dbraw/zinc/28/72/52/608287252.db2.gz QVFWGJCBGLKQAK-UHFFFAOYSA-N -1 3 363.194 3.084 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)c(NCc2ccc(Br)cc2F)n1 ZINC000826276666 608287253 /nfs/dbraw/zinc/28/72/53/608287253.db2.gz QVFWGJCBGLKQAK-UHFFFAOYSA-N -1 3 363.194 3.084 20 0 FGADHM c1cc2nc(N3CCC[C@H](C[C@H]4CCOC4)C3)ccc2cc1-c1nnn[n-]1 ZINC000826518277 608297065 /nfs/dbraw/zinc/29/70/65/608297065.db2.gz IGAFQYPPRNOUFR-HUUCEWRRSA-N -1 3 364.453 3.058 20 0 FGADHM c1cc2nc(N3CCC[C@H](C[C@H]4CCOC4)C3)ccc2cc1-c1nn[n-]n1 ZINC000826518277 608297066 /nfs/dbraw/zinc/29/70/66/608297066.db2.gz IGAFQYPPRNOUFR-HUUCEWRRSA-N -1 3 364.453 3.058 20 0 FGADHM Cc1cc(C[C@H](C)Nc2nc(C)ccc2-c2nnn[n-]2)n(-c2ccccc2)n1 ZINC000826275372 608298595 /nfs/dbraw/zinc/29/85/95/608298595.db2.gz XXLUOOBUFQSTHV-AWEZNQCLSA-N -1 3 374.452 3.107 20 0 FGADHM Cc1cc(C[C@H](C)Nc2nc(C)ccc2-c2nn[n-]n2)n(-c2ccccc2)n1 ZINC000826275372 608298596 /nfs/dbraw/zinc/29/85/96/608298596.db2.gz XXLUOOBUFQSTHV-AWEZNQCLSA-N -1 3 374.452 3.107 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N[C@H]1CCCc2cc(F)ccc21 ZINC000826401503 608315864 /nfs/dbraw/zinc/31/58/64/608315864.db2.gz AMOOOUOKRDIGEU-MZEUMTGBSA-N -1 3 363.396 3.213 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N[C@H]1CCCc2cc(F)ccc21 ZINC000826401503 608315866 /nfs/dbraw/zinc/31/58/66/608315866.db2.gz AMOOOUOKRDIGEU-MZEUMTGBSA-N -1 3 363.396 3.213 20 0 FGADHM Cc1ccc(F)c(C(=O)O[C@H](C)COc2cccc(-c3nnn[n-]3)c2)c1F ZINC000826288949 608318049 /nfs/dbraw/zinc/31/80/49/608318049.db2.gz CVQRRJIZQDUONF-LLVKDONJSA-N -1 3 374.347 3.078 20 0 FGADHM Cc1ccc(F)c(C(=O)O[C@H](C)COc2cccc(-c3nn[n-]n3)c2)c1F ZINC000826288949 608318051 /nfs/dbraw/zinc/31/80/51/608318051.db2.gz CVQRRJIZQDUONF-LLVKDONJSA-N -1 3 374.347 3.078 20 0 FGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1)c1cccc([C@H]2CCCOC2)c1 ZINC000826466022 608318703 /nfs/dbraw/zinc/31/87/03/608318703.db2.gz MIDCRHICUQLRJQ-SFHVURJKSA-N -1 3 364.405 3.118 20 0 FGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1)c1cccc([C@H]2CCCOC2)c1 ZINC000826466022 608318705 /nfs/dbraw/zinc/31/87/05/608318705.db2.gz MIDCRHICUQLRJQ-SFHVURJKSA-N -1 3 364.405 3.118 20 0 FGADHM O=C(OCc1ccccc1-c1nnn[n-]1)c1cccc([C@@H]2CCCOC2)c1 ZINC000826467159 608319034 /nfs/dbraw/zinc/31/90/34/608319034.db2.gz JLQAAGABHGRKMD-MRXNPFEDSA-N -1 3 364.405 3.118 20 0 FGADHM O=C(OCc1ccccc1-c1nn[n-]n1)c1cccc([C@@H]2CCCOC2)c1 ZINC000826467159 608319037 /nfs/dbraw/zinc/31/90/37/608319037.db2.gz JLQAAGABHGRKMD-MRXNPFEDSA-N -1 3 364.405 3.118 20 0 FGADHM C/C=C/c1ccc(OCc2ccc(-c3nnn[n-]3)cc2OC)c(OC)c1 ZINC000825028036 608323378 /nfs/dbraw/zinc/32/33/78/608323378.db2.gz DFWHOZFNQPIBPQ-SNAWJCMRSA-N -1 3 352.394 3.496 20 0 FGADHM C/C=C/c1ccc(OCc2ccc(-c3nn[n-]n3)cc2OC)c(OC)c1 ZINC000825028036 608323380 /nfs/dbraw/zinc/32/33/80/608323380.db2.gz DFWHOZFNQPIBPQ-SNAWJCMRSA-N -1 3 352.394 3.496 20 0 FGADHM COc1c(C)cc(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1C ZINC000826167292 608338979 /nfs/dbraw/zinc/33/89/79/608338979.db2.gz XGIDCXWBCFMZDY-UHFFFAOYSA-N -1 3 357.801 3.398 20 0 FGADHM COc1c(C)cc(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1C ZINC000826167292 608338981 /nfs/dbraw/zinc/33/89/81/608338981.db2.gz XGIDCXWBCFMZDY-UHFFFAOYSA-N -1 3 357.801 3.398 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1CN(C)[C@H](C)c1ccc(F)c(F)c1 ZINC000826167376 608352188 /nfs/dbraw/zinc/35/21/88/608352188.db2.gz APLGGWRWXIZOAF-LLVKDONJSA-N -1 3 359.380 3.347 20 0 FGADHM O=C(NCc1ccoc1)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000826441312 608352355 /nfs/dbraw/zinc/35/23/55/608352355.db2.gz YMEFPDDZFMFFMS-UHFFFAOYSA-N -1 3 374.404 3.126 20 0 FGADHM O=C(NCc1ccoc1)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000826441312 608352356 /nfs/dbraw/zinc/35/23/56/608352356.db2.gz YMEFPDDZFMFFMS-UHFFFAOYSA-N -1 3 374.404 3.126 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1CN(Cc1ccc(F)cc1F)C1CC1 ZINC000826168285 608354808 /nfs/dbraw/zinc/35/48/08/608354808.db2.gz IUHQJSSCJVURAC-UHFFFAOYSA-N -1 3 371.391 3.318 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1CN(Cc1ccc(F)cc1F)C1CC1 ZINC000826168285 608354809 /nfs/dbraw/zinc/35/48/09/608354809.db2.gz IUHQJSSCJVURAC-UHFFFAOYSA-N -1 3 371.391 3.318 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)[C@@H](C)c1cccc(C)c1 ZINC000826170779 608359884 /nfs/dbraw/zinc/35/98/84/608359884.db2.gz PCEKDNZXHOQIGO-ZDUSSCGKSA-N -1 3 352.394 3.031 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)[C@@H](C)c1cccc(C)c1 ZINC000826170779 608359887 /nfs/dbraw/zinc/35/98/87/608359887.db2.gz PCEKDNZXHOQIGO-ZDUSSCGKSA-N -1 3 352.394 3.031 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)[C@@H](SC)c1ccccc1 ZINC000826171383 608360130 /nfs/dbraw/zinc/36/01/30/608360130.db2.gz LUGWLJTZHJQYSO-INIZCTEOSA-N -1 3 370.434 3.023 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)[C@@H](SC)c1ccccc1 ZINC000826171383 608360132 /nfs/dbraw/zinc/36/01/32/608360132.db2.gz LUGWLJTZHJQYSO-INIZCTEOSA-N -1 3 370.434 3.023 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)C/C=C/c1ccc(F)cc1 ZINC000826171117 608361266 /nfs/dbraw/zinc/36/12/66/608361266.db2.gz CRNNPXDGEKFCDP-NSCUHMNNSA-N -1 3 368.368 3.161 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)C/C=C/c1ccc(F)cc1 ZINC000826171117 608361268 /nfs/dbraw/zinc/36/12/68/608361268.db2.gz CRNNPXDGEKFCDP-NSCUHMNNSA-N -1 3 368.368 3.161 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)C/C=C\c1ccc(F)cc1 ZINC000826171116 608361423 /nfs/dbraw/zinc/36/14/23/608361423.db2.gz CRNNPXDGEKFCDP-IHWYPQMZSA-N -1 3 368.368 3.161 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)C/C=C\c1ccc(F)cc1 ZINC000826171116 608361425 /nfs/dbraw/zinc/36/14/25/608361425.db2.gz CRNNPXDGEKFCDP-IHWYPQMZSA-N -1 3 368.368 3.161 20 0 FGADHM O=C1Nc2cc(Br)ccc2C1=Cc1ccc(-c2nnn[n-]2)cc1 ZINC000826483204 608387411 /nfs/dbraw/zinc/38/74/11/608387411.db2.gz FMHACZDHOXPJKS-NTUHNPAUSA-N -1 3 368.194 3.122 20 0 FGADHM O=C1Nc2cc(Br)ccc2C1=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826483204 608387413 /nfs/dbraw/zinc/38/74/13/608387413.db2.gz FMHACZDHOXPJKS-NTUHNPAUSA-N -1 3 368.194 3.122 20 0 FGADHM O=C1Nc2cc(Br)ccc2C1=Cc1cccc(-c2nnn[n-]2)c1 ZINC000826483268 608387508 /nfs/dbraw/zinc/38/75/08/608387508.db2.gz HLMBJODPQLAVMJ-NTUHNPAUSA-N -1 3 368.194 3.122 20 0 FGADHM O=C1Nc2cc(Br)ccc2C1=Cc1cccc(-c2nn[n-]n2)c1 ZINC000826483268 608387509 /nfs/dbraw/zinc/38/75/09/608387509.db2.gz HLMBJODPQLAVMJ-NTUHNPAUSA-N -1 3 368.194 3.122 20 0 FGADHM C[C@@H]1CCCC[C@H]1NC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824938164 608389392 /nfs/dbraw/zinc/38/93/92/608389392.db2.gz UCQSQUOZOQHFHZ-RDTXWAMCSA-N -1 3 366.469 3.244 20 0 FGADHM C[C@@H]1CCCC[C@H]1NC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824938164 608389394 /nfs/dbraw/zinc/38/93/94/608389394.db2.gz UCQSQUOZOQHFHZ-RDTXWAMCSA-N -1 3 366.469 3.244 20 0 FGADHM Cc1ccc(S(=O)(=O)CCCSc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826292729 608397793 /nfs/dbraw/zinc/39/77/93/608397793.db2.gz JQUUADZNHDGNKM-UHFFFAOYSA-N -1 3 374.491 3.131 20 0 FGADHM Cc1ccc(S(=O)(=O)CCCSc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826292729 608397795 /nfs/dbraw/zinc/39/77/95/608397795.db2.gz JQUUADZNHDGNKM-UHFFFAOYSA-N -1 3 374.491 3.131 20 0 FGADHM C[C@@H]1CN(Cc2cccc(-c3nnn[n-]3)c2F)C[C@@H](c2ccsc2)O1 ZINC000824984498 608400423 /nfs/dbraw/zinc/40/04/23/608400423.db2.gz KMIROGUPBPUSBI-ABAIWWIYSA-N -1 3 359.430 3.029 20 0 FGADHM C[C@@H]1CN(Cc2cccc(-c3nn[n-]n3)c2F)C[C@@H](c2ccsc2)O1 ZINC000824984498 608400425 /nfs/dbraw/zinc/40/04/25/608400425.db2.gz KMIROGUPBPUSBI-ABAIWWIYSA-N -1 3 359.430 3.029 20 0 FGADHM Fc1c(CSCc2nc(C3CCCC3)no2)cccc1-c1nnn[n-]1 ZINC000826370982 608404801 /nfs/dbraw/zinc/40/48/01/608404801.db2.gz NYWFZKOKJUIMIL-UHFFFAOYSA-N -1 3 360.418 3.480 20 0 FGADHM Fc1c(CSCc2nc(C3CCCC3)no2)cccc1-c1nn[n-]n1 ZINC000826370982 608404804 /nfs/dbraw/zinc/40/48/04/608404804.db2.gz NYWFZKOKJUIMIL-UHFFFAOYSA-N -1 3 360.418 3.480 20 0 FGADHM Cc1nc2ccccc2cc1C(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826328925 608438274 /nfs/dbraw/zinc/43/82/74/608438274.db2.gz JITNCAADVKBKSF-UHFFFAOYSA-N -1 3 363.352 3.219 20 0 FGADHM Cc1nc2ccccc2cc1C(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826328925 608438276 /nfs/dbraw/zinc/43/82/76/608438276.db2.gz JITNCAADVKBKSF-UHFFFAOYSA-N -1 3 363.352 3.219 20 0 FGADHM O=C(CCCOc1ccccc1F)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826407024 608445530 /nfs/dbraw/zinc/44/55/30/608445530.db2.gz XTNVVXKOOUGGEF-UHFFFAOYSA-N -1 3 374.347 3.047 20 0 FGADHM O=C(CCCOc1ccccc1F)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826407024 608445532 /nfs/dbraw/zinc/44/55/32/608445532.db2.gz XTNVVXKOOUGGEF-UHFFFAOYSA-N -1 3 374.347 3.047 20 0 FGADHM COc1ccccc1C(C)=CC(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826218903 608446164 /nfs/dbraw/zinc/44/61/64/608446164.db2.gz NUNHPYGKOFQGEB-ZRDIBKRKSA-N -1 3 368.368 3.161 20 0 FGADHM COc1ccccc1C(C)=CC(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826218903 608446166 /nfs/dbraw/zinc/44/61/66/608446166.db2.gz NUNHPYGKOFQGEB-ZRDIBKRKSA-N -1 3 368.368 3.161 20 0 FGADHM C[C@@H](NCc1nc(C(F)(F)F)cs1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824624734 608467446 /nfs/dbraw/zinc/46/74/46/608467446.db2.gz BSHWRCQSHHEHTC-MRVPVSSYSA-N -1 3 354.361 3.193 20 0 FGADHM Cc1c(NC(=O)CCc2cc3ccccc3[nH]c2=O)cccc1-c1nnn[n-]1 ZINC000826241871 608471013 /nfs/dbraw/zinc/47/10/13/608471013.db2.gz RTDJQXZSONEFLO-UHFFFAOYSA-N -1 3 374.404 3.000 20 0 FGADHM Cc1c(NC(=O)CCc2cc3ccccc3[nH]c2=O)cccc1-c1nn[n-]n1 ZINC000826241871 608471014 /nfs/dbraw/zinc/47/10/14/608471014.db2.gz RTDJQXZSONEFLO-UHFFFAOYSA-N -1 3 374.404 3.000 20 0 FGADHM O=C(CC1CCSCC1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826404686 608480396 /nfs/dbraw/zinc/48/03/96/608480396.db2.gz JABFYLGUUUMKRZ-UHFFFAOYSA-N -1 3 369.494 3.016 20 0 FGADHM O=C(CC1CCSCC1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826404686 608480398 /nfs/dbraw/zinc/48/03/98/608480398.db2.gz JABFYLGUUUMKRZ-UHFFFAOYSA-N -1 3 369.494 3.016 20 0 FGADHM Cc1ccc(NC(=O)C2CC2)cc1NCc1cccc(-c2nnn[n-]2)c1F ZINC000826290108 608481393 /nfs/dbraw/zinc/48/13/93/608481393.db2.gz AMCDHKJCOVYHCK-UHFFFAOYSA-N -1 3 366.400 3.275 20 0 FGADHM Cc1ccc(NC(=O)C2CC2)cc1NCc1cccc(-c2nn[n-]n2)c1F ZINC000826290108 608481395 /nfs/dbraw/zinc/48/13/95/608481395.db2.gz AMCDHKJCOVYHCK-UHFFFAOYSA-N -1 3 366.400 3.275 20 0 FGADHM CCCCCCOCC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000825271993 608485928 /nfs/dbraw/zinc/48/59/28/608485928.db2.gz SYHJOVBDPJPIJL-UHFFFAOYSA-N -1 3 369.469 3.079 20 0 FGADHM CCCCCCOCC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825271993 608485929 /nfs/dbraw/zinc/48/59/29/608485929.db2.gz SYHJOVBDPJPIJL-UHFFFAOYSA-N -1 3 369.469 3.079 20 0 FGADHM CCc1ccc(NC(=O)NCc2cccc(-c3nnn[n-]3)c2)cc1CC ZINC000825711919 608507254 /nfs/dbraw/zinc/50/72/54/608507254.db2.gz IWUFSWNTPOOXST-UHFFFAOYSA-N -1 3 350.426 3.313 20 0 FGADHM CCc1ccc(NC(=O)NCc2cccc(-c3nn[n-]n3)c2)cc1CC ZINC000825711919 608507255 /nfs/dbraw/zinc/50/72/55/608507255.db2.gz IWUFSWNTPOOXST-UHFFFAOYSA-N -1 3 350.426 3.313 20 0 FGADHM Cc1nc(CN[C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)nc2ccccc12 ZINC000826326575 608507856 /nfs/dbraw/zinc/50/78/56/608507856.db2.gz VVZUHXPSHGRCPZ-GOSISDBHSA-N -1 3 371.448 3.286 20 0 FGADHM CC(C)(F)C(=O)Nc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000824162648 608529101 /nfs/dbraw/zinc/52/91/01/608529101.db2.gz KYISTMDXZSYUJJ-UHFFFAOYSA-N -1 3 355.373 3.132 20 0 FGADHM CC(C)(F)C(=O)Nc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000824162648 608529102 /nfs/dbraw/zinc/52/91/02/608529102.db2.gz KYISTMDXZSYUJJ-UHFFFAOYSA-N -1 3 355.373 3.132 20 0 FGADHM Fc1ccc(C2(NCc3ccc(F)c(-c4nnn[n-]4)c3)CCC2)c(F)c1 ZINC000826374149 608538970 /nfs/dbraw/zinc/53/89/70/608538970.db2.gz NLGVOJZRSQBMOK-UHFFFAOYSA-N -1 3 359.355 3.453 20 0 FGADHM Clc1ccc([C@@H]2CN(Cc3cc(-c4nnn[n-]4)cs3)CCO2)cc1 ZINC000826351447 608540974 /nfs/dbraw/zinc/54/09/74/608540974.db2.gz MYHDKZKAWNMDNM-HNNXBMFYSA-N -1 3 361.858 3.155 20 0 FGADHM Clc1ccc([C@@H]2CN(Cc3cc(-c4nn[n-]n4)cs3)CCO2)cc1 ZINC000826351447 608540975 /nfs/dbraw/zinc/54/09/75/608540975.db2.gz MYHDKZKAWNMDNM-HNNXBMFYSA-N -1 3 361.858 3.155 20 0 FGADHM COc1ccc(F)cc1NCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000826209167 608542102 /nfs/dbraw/zinc/54/21/02/608542102.db2.gz POFPFLREUZGRTB-UHFFFAOYSA-N -1 3 365.315 3.228 20 0 FGADHM COc1ccc(F)cc1NCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000826209167 608542100 /nfs/dbraw/zinc/54/21/00/608542100.db2.gz POFPFLREUZGRTB-UHFFFAOYSA-N -1 3 365.315 3.228 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cn1)c1ccc(C(F)(F)F)cc1Cl ZINC000826452997 608544876 /nfs/dbraw/zinc/54/48/76/608544876.db2.gz RESWJPFYUPUWPK-UHFFFAOYSA-N -1 3 368.706 3.186 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cn1)c1ccc(C(F)(F)F)cc1Cl ZINC000826452997 608544878 /nfs/dbraw/zinc/54/48/78/608544878.db2.gz RESWJPFYUPUWPK-UHFFFAOYSA-N -1 3 368.706 3.186 20 0 FGADHM c1cc2n(c1)CCN(Cc1ccc(-c3nnn[n-]3)s1)[C@@H]2c1ccccc1 ZINC000826520397 608545292 /nfs/dbraw/zinc/54/52/92/608545292.db2.gz IIAQJSQLIQLWFQ-GOSISDBHSA-N -1 3 362.462 3.335 20 0 FGADHM c1cc2n(c1)CCN(Cc1ccc(-c3nn[n-]n3)s1)[C@@H]2c1ccccc1 ZINC000826520397 608545293 /nfs/dbraw/zinc/54/52/93/608545293.db2.gz IIAQJSQLIQLWFQ-GOSISDBHSA-N -1 3 362.462 3.335 20 0 FGADHM CC(C)(C)CN(CC(C)(C)C)C(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000824085545 608562244 /nfs/dbraw/zinc/56/22/44/608562244.db2.gz GBDTYUROYCFXIE-UHFFFAOYSA-N -1 3 364.881 3.450 20 0 FGADHM CC(C)(C)CN(CC(C)(C)C)C(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000824085545 608562246 /nfs/dbraw/zinc/56/22/46/608562246.db2.gz GBDTYUROYCFXIE-UHFFFAOYSA-N -1 3 364.881 3.450 20 0 FGADHM CN(Cc1ccccc1Cl)C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000825980687 608573625 /nfs/dbraw/zinc/57/36/25/608573625.db2.gz GTMXGDWAQJXBGQ-UHFFFAOYSA-N -1 3 362.220 3.446 20 0 FGADHM CN(Cc1ccccc1Cl)C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000825980687 608573626 /nfs/dbraw/zinc/57/36/26/608573626.db2.gz GTMXGDWAQJXBGQ-UHFFFAOYSA-N -1 3 362.220 3.446 20 0 FGADHM COc1ccc(CN(Cc2cccc(-c3nnn[n-]3)c2F)C2CC2)cc1 ZINC000826193553 608642723 /nfs/dbraw/zinc/64/27/23/608642723.db2.gz HHYGQCYTEZERFV-UHFFFAOYSA-N -1 3 353.401 3.179 20 0 FGADHM Fc1c(CN2CCO[C@H](c3ccc(Cl)cc3)C2)cccc1-c1nnn[n-]1 ZINC000826371071 608646276 /nfs/dbraw/zinc/64/62/76/608646276.db2.gz RCTHINYHWMJKED-INIZCTEOSA-N -1 3 373.819 3.233 20 0 FGADHM Fc1c(CN2CCO[C@H](c3ccc(Cl)cc3)C2)cccc1-c1nn[n-]n1 ZINC000826371071 608646277 /nfs/dbraw/zinc/64/62/77/608646277.db2.gz RCTHINYHWMJKED-INIZCTEOSA-N -1 3 373.819 3.233 20 0 FGADHM COc1cc(CN(C)Cc2cccc(-c3nnn[n-]3)c2F)ccc1SC ZINC000826179416 608647888 /nfs/dbraw/zinc/64/78/88/608647888.db2.gz NNRLELQGIALHCM-UHFFFAOYSA-N -1 3 373.457 3.368 20 0 FGADHM COc1cc(CN(C)Cc2cccc(-c3nn[n-]n3)c2F)ccc1SC ZINC000826179416 608647889 /nfs/dbraw/zinc/64/78/89/608647889.db2.gz NNRLELQGIALHCM-UHFFFAOYSA-N -1 3 373.457 3.368 20 0 FGADHM Cc1nc2c(s1)[C@@H](N(C)Cc1cccc(-c3nnn[n-]3)c1F)CCC2 ZINC000826327952 608651285 /nfs/dbraw/zinc/65/12/85/608651285.db2.gz ARTUWZWTZUFGGJ-AWEZNQCLSA-N -1 3 358.446 3.280 20 0 FGADHM COc1ccc2[nH]c(SCc3cccc(-c4nnn[n-]4)c3F)nc2c1 ZINC000826213836 608669658 /nfs/dbraw/zinc/66/96/58/608669658.db2.gz OKQHBHTWUIRWJJ-UHFFFAOYSA-N -1 3 356.386 3.183 20 0 FGADHM COc1ccc2[nH]c(SCc3cccc(-c4nn[n-]n4)c3F)nc2c1 ZINC000826213836 608669659 /nfs/dbraw/zinc/66/96/59/608669659.db2.gz OKQHBHTWUIRWJJ-UHFFFAOYSA-N -1 3 356.386 3.183 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NCCOc1ccc(F)cc1Cl ZINC000826186140 608751529 /nfs/dbraw/zinc/75/15/29/608751529.db2.gz HEOXWTXISWJYPE-UHFFFAOYSA-N -1 3 363.780 3.159 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NCCOc1ccc(F)cc1Cl ZINC000826186140 608751533 /nfs/dbraw/zinc/75/15/33/608751533.db2.gz HEOXWTXISWJYPE-UHFFFAOYSA-N -1 3 363.780 3.159 20 0 FGADHM CCCOc1ccc2c(c1)CCN(Cc1ccc(-c3nnn[n-]3)s1)C2 ZINC000825341757 608830887 /nfs/dbraw/zinc/83/08/87/608830887.db2.gz JRBWXIGPZQODPM-UHFFFAOYSA-N -1 3 355.467 3.275 20 0 FGADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)C1(Cc2ccc(Cl)cc2)CC1 ZINC000826442524 608886728 /nfs/dbraw/zinc/88/67/28/608886728.db2.gz YLEQRDIEZQGYKW-UHFFFAOYSA-N -1 3 367.840 3.159 20 0 FGADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)C1(Cc2ccc(Cl)cc2)CC1 ZINC000826442524 608886730 /nfs/dbraw/zinc/88/67/30/608886730.db2.gz YLEQRDIEZQGYKW-UHFFFAOYSA-N -1 3 367.840 3.159 20 0 FGADHM C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000824911059 609137569 /nfs/dbraw/zinc/13/75/69/609137569.db2.gz ZZFLHQPIXPZWPU-ONGSHHINSA-N -1 3 365.359 3.069 20 0 FGADHM C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000824911059 609137571 /nfs/dbraw/zinc/13/75/71/609137571.db2.gz ZZFLHQPIXPZWPU-ONGSHHINSA-N -1 3 365.359 3.069 20 0 FGADHM C[C@H](N[C@@H]1COc2ccc(Cl)cc21)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824553821 609152994 /nfs/dbraw/zinc/15/29/94/609152994.db2.gz IPMPAVSFYRZMDS-BJOHPYRUSA-N -1 3 359.792 3.444 20 0 FGADHM C[C@H](N[C@@H]1COc2ccc(Cl)cc21)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824553821 609152995 /nfs/dbraw/zinc/15/29/95/609152995.db2.gz IPMPAVSFYRZMDS-BJOHPYRUSA-N -1 3 359.792 3.444 20 0 FGADHM Cc1cc(C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)nn1[C@@H](C)C1CC1 ZINC000826260371 609158307 /nfs/dbraw/zinc/15/83/07/609158307.db2.gz LBKIHMITNMKSJX-JTQLQIEISA-N -1 3 371.832 3.248 20 0 FGADHM Cc1cc(C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)nn1[C@@H](C)C1CC1 ZINC000826260371 609158308 /nfs/dbraw/zinc/15/83/08/609158308.db2.gz LBKIHMITNMKSJX-JTQLQIEISA-N -1 3 371.832 3.248 20 0 FGADHM CN(Cc1cc(F)c(F)c(F)c1)c1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000825954099 609171492 /nfs/dbraw/zinc/17/14/92/609171492.db2.gz VQSXLCAQQNKWHJ-UHFFFAOYSA-N -1 3 370.338 3.469 20 0 FGADHM CN(Cc1cc(F)c(F)c(F)c1)c1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000825954099 609171494 /nfs/dbraw/zinc/17/14/94/609171494.db2.gz VQSXLCAQQNKWHJ-UHFFFAOYSA-N -1 3 370.338 3.469 20 0 FGADHM CCC(C)(C)C1CCC(NC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000825038530 609186262 /nfs/dbraw/zinc/18/62/62/609186262.db2.gz DYHGGWOHBDXCJF-JCYILVPMSA-N -1 3 371.485 3.011 20 0 FGADHM CCC(C)(C)C1CCC(NC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825038530 609186264 /nfs/dbraw/zinc/18/62/64/609186264.db2.gz DYHGGWOHBDXCJF-JCYILVPMSA-N -1 3 371.485 3.011 20 0 FGADHM CC[C@@H](C)Oc1cc(C(=O)N(CC)c2ccc(-c3nnn[n-]3)cc2)ccn1 ZINC000825076979 609208384 /nfs/dbraw/zinc/20/83/84/609208384.db2.gz ZRFVSAPZCGYLES-CYBMUJFWSA-N -1 3 366.425 3.106 20 0 FGADHM CC[C@@H](C)Oc1cc(C(=O)N(CC)c2ccc(-c3nn[n-]n3)cc2)ccn1 ZINC000825076979 609208385 /nfs/dbraw/zinc/20/83/85/609208385.db2.gz ZRFVSAPZCGYLES-CYBMUJFWSA-N -1 3 366.425 3.106 20 0 FGADHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N(Cc1ccccc1)C1CCCCC1 ZINC000826468995 609212384 /nfs/dbraw/zinc/21/23/84/609212384.db2.gz QDYNGVMUNVFQLP-UHFFFAOYSA-N -1 3 350.426 3.170 20 0 FGADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N(Cc1ccccc1)C1CCCCC1 ZINC000826468995 609212386 /nfs/dbraw/zinc/21/23/86/609212386.db2.gz QDYNGVMUNVFQLP-UHFFFAOYSA-N -1 3 350.426 3.170 20 0 FGADHM C[C@H](Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1)c1ccsc1 ZINC000824657563 609241603 /nfs/dbraw/zinc/24/16/03/609241603.db2.gz RGVGETNXMIBUDJ-LBPRGKRZSA-N -1 3 370.482 3.062 20 0 FGADHM C[C@H](Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1)c1ccsc1 ZINC000824657563 609241604 /nfs/dbraw/zinc/24/16/04/609241604.db2.gz RGVGETNXMIBUDJ-LBPRGKRZSA-N -1 3 370.482 3.062 20 0 FGADHM CC[C@H](C)Oc1cc(C(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)ccn1 ZINC000825075555 609256309 /nfs/dbraw/zinc/25/63/09/609256309.db2.gz PQGAVEJKQWTOFP-QWHCGFSZSA-N -1 3 367.409 3.357 20 0 FGADHM CC[C@H](C)Oc1cc(C(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)ccn1 ZINC000825075555 609256310 /nfs/dbraw/zinc/25/63/10/609256310.db2.gz PQGAVEJKQWTOFP-QWHCGFSZSA-N -1 3 367.409 3.357 20 0 FGADHM Cc1cc(C(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)nn1[C@@H](C)C1CC1 ZINC000826260937 609256373 /nfs/dbraw/zinc/25/63/73/609256373.db2.gz KKNLDYKWKXXVSV-QWHCGFSZSA-N -1 3 366.425 3.261 20 0 FGADHM Cc1cc(C(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)nn1[C@@H](C)C1CC1 ZINC000826260937 609256374 /nfs/dbraw/zinc/25/63/74/609256374.db2.gz KKNLDYKWKXXVSV-QWHCGFSZSA-N -1 3 366.425 3.261 20 0 FGADHM C[C@H]1CC[C@@H](C(F)(F)F)CN1C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000824908911 609265098 /nfs/dbraw/zinc/26/50/98/609265098.db2.gz ROHJAKSUUIOZLS-WCBMZHEXSA-N -1 3 373.766 3.323 20 0 FGADHM C[C@H]1CC[C@@H](C(F)(F)F)CN1C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000824908911 609265100 /nfs/dbraw/zinc/26/51/00/609265100.db2.gz ROHJAKSUUIOZLS-WCBMZHEXSA-N -1 3 373.766 3.323 20 0 FGADHM CCN(C(=O)C=Cc1cccc(O)c1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367463 609268567 /nfs/dbraw/zinc/26/85/67/609268567.db2.gz QKRLQBHGWRRUEX-GMMCIKNFSA-N -1 3 363.421 3.195 20 0 FGADHM CCN(C(=O)C=Cc1cccc(O)c1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367463 609268568 /nfs/dbraw/zinc/26/85/68/609268568.db2.gz QKRLQBHGWRRUEX-GMMCIKNFSA-N -1 3 363.421 3.195 20 0 FGADHM C[C@H](Nc1ccc(N2CCOC[C@H]2C)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824656105 609279278 /nfs/dbraw/zinc/27/92/78/609279278.db2.gz HNYTXBVFYYNTOI-CABCVRRESA-N -1 3 364.453 3.265 20 0 FGADHM C[C@H](Nc1ccc(N2CCOC[C@H]2C)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824656105 609279280 /nfs/dbraw/zinc/27/92/80/609279280.db2.gz HNYTXBVFYYNTOI-CABCVRRESA-N -1 3 364.453 3.265 20 0 FGADHM O=C(c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)N1CCC=C(F)C1 ZINC000826474617 609286180 /nfs/dbraw/zinc/28/61/80/609286180.db2.gz XWRCZQFYVMVARC-UHFFFAOYSA-N -1 3 365.368 3.358 20 0 FGADHM O=C(c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)N1CCC=C(F)C1 ZINC000826474617 609286181 /nfs/dbraw/zinc/28/61/81/609286181.db2.gz XWRCZQFYVMVARC-UHFFFAOYSA-N -1 3 365.368 3.358 20 0 FGADHM Cc1cc(N(C)C)cc(C)c1NC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826268526 609301166 /nfs/dbraw/zinc/30/11/66/609301166.db2.gz BHHGOCFTOQZQAZ-UHFFFAOYSA-N -1 3 370.844 3.455 20 0 FGADHM Cc1cc(N(C)C)cc(C)c1NC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826268526 609301167 /nfs/dbraw/zinc/30/11/67/609301167.db2.gz BHHGOCFTOQZQAZ-UHFFFAOYSA-N -1 3 370.844 3.455 20 0 FGADHM O=C(OCc1ccccn1)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826467205 609303735 /nfs/dbraw/zinc/30/37/35/609303735.db2.gz LPEWZWTUVQMERH-UHFFFAOYSA-N -1 3 373.372 3.411 20 0 FGADHM O=C(OCc1ccccn1)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826467205 609303737 /nfs/dbraw/zinc/30/37/37/609303737.db2.gz LPEWZWTUVQMERH-UHFFFAOYSA-N -1 3 373.372 3.411 20 0 FGADHM CC(C)(C)C(=O)CSCc1ccc(-c2nnn[n-]2)cc1Br ZINC000824065381 609310113 /nfs/dbraw/zinc/31/01/13/609310113.db2.gz ZFIRBXBIRJTSOX-UHFFFAOYSA-N -1 3 369.288 3.478 20 0 FGADHM CC(C)(C)C(=O)CSCc1ccc(-c2nn[n-]n2)cc1Br ZINC000824065381 609310115 /nfs/dbraw/zinc/31/01/15/609310115.db2.gz ZFIRBXBIRJTSOX-UHFFFAOYSA-N -1 3 369.288 3.478 20 0 FGADHM CN(C(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1)c1ccccn1 ZINC000825834544 609314483 /nfs/dbraw/zinc/31/44/83/609314483.db2.gz YFHPZLRJEPURSL-UHFFFAOYSA-N -1 3 372.388 3.331 20 0 FGADHM CN(C(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1)c1ccccn1 ZINC000825834544 609314484 /nfs/dbraw/zinc/31/44/84/609314484.db2.gz YFHPZLRJEPURSL-UHFFFAOYSA-N -1 3 372.388 3.331 20 0 FGADHM C[C@H]1CCN(c2c(-c3nnn[n-]3)cnc3c(F)ccc(Cl)c32)C[C@@H]1F ZINC000824961873 609318803 /nfs/dbraw/zinc/31/88/03/609318803.db2.gz KDMHTDPAHNXSRH-UFBFGSQYSA-N -1 3 364.787 3.392 20 0 FGADHM C[C@H]1CCN(c2c(-c3nn[n-]n3)cnc3c(F)ccc(Cl)c32)C[C@@H]1F ZINC000824961873 609318805 /nfs/dbraw/zinc/31/88/05/609318805.db2.gz KDMHTDPAHNXSRH-UFBFGSQYSA-N -1 3 364.787 3.392 20 0 FGADHM Cc1ccc2c(c1C)OC[C@H]2N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1F ZINC000826293862 609341750 /nfs/dbraw/zinc/34/17/50/609341750.db2.gz CWAWNMMRCDFRKN-YVEFUNNKSA-N -1 3 353.401 3.407 20 0 FGADHM Cc1ccc2c(c1C)OC[C@H]2N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1F ZINC000826293862 609341752 /nfs/dbraw/zinc/34/17/52/609341752.db2.gz CWAWNMMRCDFRKN-YVEFUNNKSA-N -1 3 353.401 3.407 20 0 FGADHM CC(C)[C@H](N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1F)C(=O)OC(C)(C)C ZINC000824648607 609347561 /nfs/dbraw/zinc/34/75/61/609347561.db2.gz HFEYUHQYJIPUQY-NHYWBVRUSA-N -1 3 363.437 3.023 20 0 FGADHM CC(C)[C@H](N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1F)C(=O)OC(C)(C)C ZINC000824648607 609347563 /nfs/dbraw/zinc/34/75/63/609347563.db2.gz HFEYUHQYJIPUQY-NHYWBVRUSA-N -1 3 363.437 3.023 20 0 FGADHM C[C@@H](Nc1ccc(O[C@@H]2CCOC2)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824658046 609347585 /nfs/dbraw/zinc/34/75/85/609347585.db2.gz UOBNKGSMZXQFIC-MLGOLLRUSA-N -1 3 369.400 3.347 20 0 FGADHM C[C@@H](Nc1ccc(O[C@@H]2CCOC2)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824658046 609347587 /nfs/dbraw/zinc/34/75/87/609347587.db2.gz UOBNKGSMZXQFIC-MLGOLLRUSA-N -1 3 369.400 3.347 20 0 FGADHM CC(=O)CCCOC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000823967543 609350546 /nfs/dbraw/zinc/35/05/46/609350546.db2.gz NQRONNGJTAWHJY-UHFFFAOYSA-N -1 3 366.377 3.185 20 0 FGADHM CC(=O)CCCOC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000823967543 609350548 /nfs/dbraw/zinc/35/05/48/609350548.db2.gz NQRONNGJTAWHJY-UHFFFAOYSA-N -1 3 366.377 3.185 20 0 FGADHM Brc1cc(-c2nn[n-]n2)ccc1CN1CCc2ccccc2C1 ZINC000823820473 609355504 /nfs/dbraw/zinc/35/55/04/609355504.db2.gz FWXGOWYRBRAKRW-UHFFFAOYSA-N -1 3 370.254 3.188 20 0 FGADHM Brc1cc(-c2nnn[n-]2)ccc1CN1Cc2ccccc2C1 ZINC000823820559 609359802 /nfs/dbraw/zinc/35/98/02/609359802.db2.gz HSELBUBAMPEEHP-UHFFFAOYSA-N -1 3 356.227 3.145 20 0 FGADHM Brc1cc(-c2nn[n-]n2)ccc1CN1Cc2ccccc2C1 ZINC000823820559 609359805 /nfs/dbraw/zinc/35/98/05/609359805.db2.gz HSELBUBAMPEEHP-UHFFFAOYSA-N -1 3 356.227 3.145 20 0 FGADHM CCc1cc(NC(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)ccc1C ZINC000825700448 609383064 /nfs/dbraw/zinc/38/30/64/609383064.db2.gz FZMWMFRFCCKVTQ-UHFFFAOYSA-N -1 3 350.426 3.401 20 0 FGADHM CCc1cc(NC(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)ccc1C ZINC000825700448 609383068 /nfs/dbraw/zinc/38/30/68/609383068.db2.gz FZMWMFRFCCKVTQ-UHFFFAOYSA-N -1 3 350.426 3.401 20 0 FGADHM O=C(c1sccc1-c1nnn[n-]1)N1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000826475966 609405884 /nfs/dbraw/zinc/40/58/84/609405884.db2.gz XNECVNFRCKFAJM-LBPRGKRZSA-N -1 3 371.441 3.477 20 0 FGADHM O=C(c1sccc1-c1nn[n-]n1)N1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000826475966 609405886 /nfs/dbraw/zinc/40/58/86/609405886.db2.gz XNECVNFRCKFAJM-LBPRGKRZSA-N -1 3 371.441 3.477 20 0 FGADHM c1[nH]c(-c2nnn[n-]2)cc1-c1nc(-c2cccnc2Oc2ccccc2)no1 ZINC000826522638 609411994 /nfs/dbraw/zinc/41/19/94/609411994.db2.gz IQJGKMFIWGWUPB-UHFFFAOYSA-N -1 3 372.348 3.099 20 0 FGADHM c1[nH]c(-c2nn[n-]n2)cc1-c1nc(-c2cccnc2Oc2ccccc2)no1 ZINC000826522638 609411995 /nfs/dbraw/zinc/41/19/95/609411995.db2.gz IQJGKMFIWGWUPB-UHFFFAOYSA-N -1 3 372.348 3.099 20 0 FGADHM Fc1cccc(-n2ccc(CNc3ccc(Cl)c(-c4nnn[n-]4)c3)n2)c1 ZINC000826376737 609438865 /nfs/dbraw/zinc/43/88/65/609438865.db2.gz PPDZTHFUFVAKQX-UHFFFAOYSA-N -1 3 369.791 3.457 20 0 FGADHM Fc1cccc(-n2ccc(CNc3ccc(Cl)c(-c4nn[n-]n4)c3)n2)c1 ZINC000826376737 609438868 /nfs/dbraw/zinc/43/88/68/609438868.db2.gz PPDZTHFUFVAKQX-UHFFFAOYSA-N -1 3 369.791 3.457 20 0 FGADHM OCc1ccc(CSCCCOc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826510305 609441074 /nfs/dbraw/zinc/44/10/74/609441074.db2.gz JNUSQDXWPKKPEE-UHFFFAOYSA-N -1 3 356.451 3.061 20 0 FGADHM OCc1ccc(CSCCCOc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826510305 609441076 /nfs/dbraw/zinc/44/10/76/609441076.db2.gz JNUSQDXWPKKPEE-UHFFFAOYSA-N -1 3 356.451 3.061 20 0 FGADHM O=C(Nc1cccc(COc2ccccc2)c1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826456605 609442914 /nfs/dbraw/zinc/44/29/14/609442914.db2.gz NWVUYCPIAAXJKD-UHFFFAOYSA-N -1 3 360.377 3.026 20 0 FGADHM O=C(Nc1cccc(COc2ccccc2)c1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826456605 609442917 /nfs/dbraw/zinc/44/29/17/609442917.db2.gz NWVUYCPIAAXJKD-UHFFFAOYSA-N -1 3 360.377 3.026 20 0 FGADHM Clc1cc(-c2nn[n-]n2)ccc1-n1ccc(NCc2ccccc2)n1 ZINC000826350836 609446751 /nfs/dbraw/zinc/44/67/51/609446751.db2.gz NMNAFDDUNOYBBT-UHFFFAOYSA-N -1 3 351.801 3.318 20 0 FGADHM CC(C)Oc1cc(F)ccc1NC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000824319476 609447296 /nfs/dbraw/zinc/44/72/96/609447296.db2.gz RXLARHIFSNKXQA-UHFFFAOYSA-N -1 3 356.361 3.437 20 0 FGADHM CC(C)Oc1cc(F)ccc1NC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000824319476 609447297 /nfs/dbraw/zinc/44/72/97/609447297.db2.gz RXLARHIFSNKXQA-UHFFFAOYSA-N -1 3 356.361 3.437 20 0 FGADHM CCN(CC)C(=O)c1ccccc1NCc1cccc(-c2nnn[n-]2)c1F ZINC000825406933 609475554 /nfs/dbraw/zinc/47/55/54/609475554.db2.gz VLWZUIHULCXTKO-UHFFFAOYSA-N -1 3 368.416 3.100 20 0 FGADHM CCN(CC)C(=O)c1ccccc1NCc1cccc(-c2nn[n-]n2)c1F ZINC000825406933 609475555 /nfs/dbraw/zinc/47/55/55/609475555.db2.gz VLWZUIHULCXTKO-UHFFFAOYSA-N -1 3 368.416 3.100 20 0 FGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NCc1cccc2c1OCCO2 ZINC000824324124 609477948 /nfs/dbraw/zinc/47/79/48/609477948.db2.gz HIVRUCBPPVOQGS-UHFFFAOYSA-N -1 3 367.409 3.037 20 0 FGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NCc1cccc2c1OCCO2 ZINC000824324124 609477950 /nfs/dbraw/zinc/47/79/50/609477950.db2.gz HIVRUCBPPVOQGS-UHFFFAOYSA-N -1 3 367.409 3.037 20 0 FGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NCc1ccc2c(c1)CCO2 ZINC000824323783 609478188 /nfs/dbraw/zinc/47/81/88/609478188.db2.gz BEIGXAJSVLUUOW-UHFFFAOYSA-N -1 3 351.410 3.201 20 0 FGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NCc1ccc2c(c1)CCO2 ZINC000824323783 609478189 /nfs/dbraw/zinc/47/81/89/609478189.db2.gz BEIGXAJSVLUUOW-UHFFFAOYSA-N -1 3 351.410 3.201 20 0 FGADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)CCCOC(C)C ZINC000824255461 609480018 /nfs/dbraw/zinc/48/00/18/609480018.db2.gz KNZRHANSEASJCS-UHFFFAOYSA-N -1 3 359.474 3.057 20 0 FGADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)CCCOC(C)C ZINC000824255461 609480019 /nfs/dbraw/zinc/48/00/19/609480019.db2.gz KNZRHANSEASJCS-UHFFFAOYSA-N -1 3 359.474 3.057 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000826278942 609480529 /nfs/dbraw/zinc/48/05/29/609480529.db2.gz ZMVGJEATGUMAFX-CQSZACIVSA-N -1 3 372.473 3.234 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000826278942 609480531 /nfs/dbraw/zinc/48/05/31/609480531.db2.gz ZMVGJEATGUMAFX-CQSZACIVSA-N -1 3 372.473 3.234 20 0 FGADHM C[C@H]1C[C@@H](Nc2ccc(OCc3cccc(-c4nnn[n-]4)c3)cc2)CCO1 ZINC000824892989 609482859 /nfs/dbraw/zinc/48/28/59/609482859.db2.gz OJQOYWLZAGTCEI-KSSFIOAISA-N -1 3 365.437 3.425 20 0 FGADHM C[C@H]1C[C@@H](Nc2ccc(OCc3cccc(-c4nn[n-]n4)c3)cc2)CCO1 ZINC000824892989 609482861 /nfs/dbraw/zinc/48/28/61/609482861.db2.gz OJQOYWLZAGTCEI-KSSFIOAISA-N -1 3 365.437 3.425 20 0 FGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)c1ccc(-c2ccccc2)o1 ZINC000826441736 609500770 /nfs/dbraw/zinc/50/07/70/609500770.db2.gz RPVYYITWFDGMSJ-UHFFFAOYSA-N -1 3 363.352 3.196 20 0 FGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)c1ccc(-c2ccccc2)o1 ZINC000826441736 609500773 /nfs/dbraw/zinc/50/07/73/609500773.db2.gz RPVYYITWFDGMSJ-UHFFFAOYSA-N -1 3 363.352 3.196 20 0 FGADHM O=C(Cc1ccncc1)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826423939 609501571 /nfs/dbraw/zinc/50/15/71/609501571.db2.gz OFOOBPWPNGWCLK-UHFFFAOYSA-N -1 3 372.388 3.235 20 0 FGADHM O=C(Cc1ccncc1)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826423939 609501572 /nfs/dbraw/zinc/50/15/72/609501572.db2.gz OFOOBPWPNGWCLK-UHFFFAOYSA-N -1 3 372.388 3.235 20 0 FGADHM O=C(c1ccc(Cl)c(-c2nnn[n-]2)c1)N1CC=C(c2ccccc2)C1 ZINC000826472891 609502174 /nfs/dbraw/zinc/50/21/74/609502174.db2.gz BCFUKHCTMALPNT-UHFFFAOYSA-N -1 3 351.797 3.060 20 0 FGADHM O=C(c1ccc(Cl)c(-c2nn[n-]n2)c1)N1CC=C(c2ccccc2)C1 ZINC000826472891 609502175 /nfs/dbraw/zinc/50/21/75/609502175.db2.gz BCFUKHCTMALPNT-UHFFFAOYSA-N -1 3 351.797 3.060 20 0 FGADHM CCOC(=O)c1sc(NC(=O)[C@@H](C)[C@H](C)CC)c(-c2nnn[n-]2)c1C ZINC000825576018 609508366 /nfs/dbraw/zinc/50/83/66/609508366.db2.gz BJFQACFLFIKCMJ-BDAKNGLRSA-N -1 3 365.459 3.034 20 0 FGADHM CCOC(=O)c1sc(NC(=O)[C@@H](C)[C@H](C)CC)c(-c2nn[n-]n2)c1C ZINC000825576018 609508368 /nfs/dbraw/zinc/50/83/68/609508368.db2.gz BJFQACFLFIKCMJ-BDAKNGLRSA-N -1 3 365.459 3.034 20 0 FGADHM Cc1c(Cl)cnc(N[C@H](C)c2ccc3c(c2)OCCO3)c1-c1nnn[n-]1 ZINC000826238315 609522401 /nfs/dbraw/zinc/52/24/01/609522401.db2.gz CONLGAYIWXUTCV-SNVBAGLBSA-N -1 3 372.816 3.168 20 0 FGADHM Cc1c(Cl)cnc(N[C@H](C)c2ccc3c(c2)OCCO3)c1-c1nn[n-]n1 ZINC000826238315 609522403 /nfs/dbraw/zinc/52/24/03/609522403.db2.gz CONLGAYIWXUTCV-SNVBAGLBSA-N -1 3 372.816 3.168 20 0 FGADHM CCC[C@@H]1C[C@@H](C(=O)N(CC(C)C)c2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000825253563 609523360 /nfs/dbraw/zinc/52/33/60/609523360.db2.gz OFQAXMSRKSVYPF-FUHWJXTLSA-N -1 3 371.485 3.451 20 0 FGADHM CCC[C@@H]1C[C@@H](C(=O)N(CC(C)C)c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000825253563 609523361 /nfs/dbraw/zinc/52/33/61/609523361.db2.gz OFQAXMSRKSVYPF-FUHWJXTLSA-N -1 3 371.485 3.451 20 0 FGADHM CC[C@@H]1C[C@@H](C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)CC(C)C)CCO1 ZINC000825182442 609523658 /nfs/dbraw/zinc/52/36/58/609523658.db2.gz JGMUNXINZSSZRS-ZWKOTPCHSA-N -1 3 371.485 3.057 20 0 FGADHM CC[C@@H]1C[C@@H](C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)CC(C)C)CCO1 ZINC000825182442 609523661 /nfs/dbraw/zinc/52/36/61/609523661.db2.gz JGMUNXINZSSZRS-ZWKOTPCHSA-N -1 3 371.485 3.057 20 0 FGADHM CCOc1ccc([C@@H]2CCCN2c2nccc(C)c2-c2nnn[n-]2)cc1 ZINC000825639176 609524373 /nfs/dbraw/zinc/52/43/73/609524373.db2.gz SEPZFAQXAQZUGZ-INIZCTEOSA-N -1 3 350.426 3.310 20 0 FGADHM CCOc1ccc([C@@H]2CCCN2c2nccc(C)c2-c2nn[n-]n2)cc1 ZINC000825639176 609524375 /nfs/dbraw/zinc/52/43/75/609524375.db2.gz SEPZFAQXAQZUGZ-INIZCTEOSA-N -1 3 350.426 3.310 20 0 FGADHM Cc1c(Cl)cnc(Nc2cnn(Cc3ccccc3)c2)c1-c1nnn[n-]1 ZINC000826241128 609537198 /nfs/dbraw/zinc/53/71/98/609537198.db2.gz SEISCMJHZOPKPN-UHFFFAOYSA-N -1 3 366.816 3.212 20 0 FGADHM Cc1c(Cl)cnc(Nc2cnn(Cc3ccccc3)c2)c1-c1nn[n-]n1 ZINC000826241128 609537201 /nfs/dbraw/zinc/53/72/01/609537201.db2.gz SEISCMJHZOPKPN-UHFFFAOYSA-N -1 3 366.816 3.212 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc([C@@H]2CCCOC2)cc1 ZINC000826278599 609542040 /nfs/dbraw/zinc/54/20/40/609542040.db2.gz KYFKZAHMCTXXDB-QGZVFWFLSA-N -1 3 363.421 3.321 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc([C@@H]2CCCOC2)cc1 ZINC000826278599 609542042 /nfs/dbraw/zinc/54/20/42/609542042.db2.gz KYFKZAHMCTXXDB-QGZVFWFLSA-N -1 3 363.421 3.321 20 0 FGADHM Cc1ccnc(NC[C@H](O)c2ccc(Cl)cc2Cl)c1-c1nnn[n-]1 ZINC000826313022 609552260 /nfs/dbraw/zinc/55/22/60/609552260.db2.gz UVTHENJZCBEHNW-LBPRGKRZSA-N -1 3 365.224 3.022 20 0 FGADHM Cc1ccnc(NC[C@H](O)c2ccc(Cl)cc2Cl)c1-c1nn[n-]n1 ZINC000826313022 609552262 /nfs/dbraw/zinc/55/22/62/609552262.db2.gz UVTHENJZCBEHNW-LBPRGKRZSA-N -1 3 365.224 3.022 20 0 FGADHM Cc1c(Cl)cnc(N(C[C@H]2CCCO2)C2CCCC2)c1-c1nnn[n-]1 ZINC000826236891 609561500 /nfs/dbraw/zinc/56/15/00/609561500.db2.gz GEUIWOZZPJHHKJ-CYBMUJFWSA-N -1 3 362.865 3.152 20 0 FGADHM Cc1c(Cl)cnc(N(C[C@H]2CCCO2)C2CCCC2)c1-c1nn[n-]n1 ZINC000826236891 609561501 /nfs/dbraw/zinc/56/15/01/609561501.db2.gz GEUIWOZZPJHHKJ-CYBMUJFWSA-N -1 3 362.865 3.152 20 0 FGADHM Cc1ccc(C)c([C@H]2CN(c3nccc(C)c3-c3nnn[n-]3)[C@@H](C)CO2)c1 ZINC000826284792 609570513 /nfs/dbraw/zinc/57/05/13/609570513.db2.gz GFIBEBFICJHPNB-DOTOQJQBSA-N -1 3 364.453 3.153 20 0 FGADHM Cc1ccc(C)c([C@H]2CN(c3nccc(C)c3-c3nn[n-]n3)[C@@H](C)CO2)c1 ZINC000826284792 609570514 /nfs/dbraw/zinc/57/05/14/609570514.db2.gz GFIBEBFICJHPNB-DOTOQJQBSA-N -1 3 364.453 3.153 20 0 FGADHM Cc1ccnc(N[C@@H](C[C@@H]2CCOC2)c2ccccc2)c1-c1nnn[n-]1 ZINC000826311796 609581255 /nfs/dbraw/zinc/58/12/55/609581255.db2.gz NSTBFJUAPKHQHV-HOCLYGCPSA-N -1 3 350.426 3.150 20 0 FGADHM Cc1ccnc(N[C@@H](C[C@@H]2CCOC2)c2ccccc2)c1-c1nn[n-]n1 ZINC000826311796 609581257 /nfs/dbraw/zinc/58/12/57/609581257.db2.gz NSTBFJUAPKHQHV-HOCLYGCPSA-N -1 3 350.426 3.150 20 0 FGADHM C[C@@H](OCc1ccccc1)C(=O)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000824730855 609615712 /nfs/dbraw/zinc/61/57/12/609615712.db2.gz QAEMMIAJRGSPMW-GFCCVEGCSA-N -1 3 372.812 3.169 20 0 FGADHM C[C@@H](OCc1ccccc1)C(=O)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000824730855 609615713 /nfs/dbraw/zinc/61/57/13/609615713.db2.gz QAEMMIAJRGSPMW-GFCCVEGCSA-N -1 3 372.812 3.169 20 0 FGADHM O=C(Cc1c[nH]c2ccccc12)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826421350 609616382 /nfs/dbraw/zinc/61/63/82/609616382.db2.gz DMQDLBMXVZOAOY-UHFFFAOYSA-N -1 3 367.796 3.287 20 0 FGADHM O=C(Cc1c[nH]c2ccccc12)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826421350 609616384 /nfs/dbraw/zinc/61/63/84/609616384.db2.gz DMQDLBMXVZOAOY-UHFFFAOYSA-N -1 3 367.796 3.287 20 0 FGADHM Cc1cc(C(=O)OCc2ccccc2C)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826307758 609627424 /nfs/dbraw/zinc/62/74/24/609627424.db2.gz VSBXEFDSIQYFBQ-UHFFFAOYSA-N -1 3 374.404 3.026 20 0 FGADHM Cc1cc(C(=O)OCc2ccccc2C)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826307758 609627425 /nfs/dbraw/zinc/62/74/25/609627425.db2.gz VSBXEFDSIQYFBQ-UHFFFAOYSA-N -1 3 374.404 3.026 20 0 FGADHM CC[C@@H](C)[C@H](C)C(=O)OCc1c(-c2nnn[n-]2)c(C)nn1-c1ccccc1 ZINC000825059774 609640619 /nfs/dbraw/zinc/64/06/19/609640619.db2.gz KIRUMPVPQUPDCX-OLZOCXBDSA-N -1 3 368.441 3.086 20 0 FGADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3ccc(C=O)cc3)nc(=O)c2c1C ZINC000005355155 695547887 /nfs/dbraw/zinc/54/78/87/695547887.db2.gz XMUSMUFVQXVEJX-JTQLQIEISA-N -1 3 356.403 3.332 20 0 FGADHM Cc1sc2[n-]c([C@@H](C)OC(=O)Cc3ccc(O)cc3)nc(=O)c2c1C ZINC000007140354 695563741 /nfs/dbraw/zinc/56/37/41/695563741.db2.gz DMGSAHNDJRVNEV-SNVBAGLBSA-N -1 3 358.419 3.154 20 0 FGADHM COc1ccc(C(=O)COC(=O)c2cc(Cl)c(Cl)[n-]2)cc1OC ZINC000021730061 695647301 /nfs/dbraw/zinc/64/73/01/695647301.db2.gz YWHMAEFNABLRSX-UHFFFAOYSA-N -1 3 358.177 3.378 20 0 FGADHM COc1ccccc1[C@H](C)NC(=O)COC(=O)c1cc2ccsc2[n-]1 ZINC000023346553 695661287 /nfs/dbraw/zinc/66/12/87/695661287.db2.gz OOBNFDGZOOUHEA-NSHDSACASA-N -1 3 358.419 3.272 20 0 FGADHM COCCOc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C)cc1 ZINC000026527827 695684735 /nfs/dbraw/zinc/68/47/35/695684735.db2.gz ITFLCUCOIOUGEI-UHFFFAOYSA-N -1 3 355.843 3.474 20 0 FGADHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(CC)c2)ccc1F ZINC000029001981 695707667 /nfs/dbraw/zinc/70/76/67/695707667.db2.gz CNHQIFVZRLKCHJ-UHFFFAOYSA-N -1 3 362.426 3.105 20 0 FGADHM CCC(CC)CN(CC)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000032263077 695742297 /nfs/dbraw/zinc/74/22/97/695742297.db2.gz JPVHLALWBYNINU-UHFFFAOYSA-N -1 3 372.506 3.411 20 0 FGADHM O=S(=O)([N-]Cc1cccs1)c1cnc(Cl)c(Br)c1 ZINC000033651740 695751521 /nfs/dbraw/zinc/75/15/21/695751521.db2.gz XEKZTBXIVQKWMS-UHFFFAOYSA-N -1 3 367.677 3.038 20 0 FGADHM O=C(/C=C/c1ccc(I)o1)[N-]OCc1ccccc1 ZINC000043544620 695794274 /nfs/dbraw/zinc/79/42/74/695794274.db2.gz SDISYUCDXJKCRD-VQHVLOKHSA-N -1 3 369.158 3.145 20 0 FGADHM O=C(N[N-]C(=O)c1ccccc1F)N[C@H]1CCSc2ccc(F)cc21 ZINC000045234027 695818282 /nfs/dbraw/zinc/81/82/82/695818282.db2.gz NUMBBEZWCLLCIY-AWEZNQCLSA-N -1 3 363.389 3.146 20 0 FGADHM CCCOC(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000045916636 695828842 /nfs/dbraw/zinc/82/88/42/695828842.db2.gz XTBOWQBBXZVYKN-UHFFFAOYSA-N -1 3 352.239 3.001 20 0 FGADHM Cc1ccc(NC(=S)N[N-]C(=O)c2ccc3ccccc3n2)cc1F ZINC000052508666 695923348 /nfs/dbraw/zinc/92/33/48/695923348.db2.gz LLKBHMSCYAWHMB-UHFFFAOYSA-N -1 3 354.410 3.314 20 0 FGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N(C2CC2)C2CCCC2)ccc1F ZINC000075901376 700219917 /nfs/dbraw/zinc/21/99/17/700219917.db2.gz XEKDQHFRBIIKEY-UHFFFAOYSA-N -1 3 368.474 3.060 20 0 FGADHM O=S(=O)([N-][C@H]1CCSc2ccc(F)cc21)c1cccnc1Cl ZINC000077510786 700254135 /nfs/dbraw/zinc/25/41/35/700254135.db2.gz VJSVHZRGWPCJBK-NSHDSACASA-N -1 3 358.847 3.390 20 0 FGADHM COc1cc[n-]c(=NNC(=O)C=C(C)c2cccc(C(F)(F)F)c2)n1 ZINC000079503450 700300230 /nfs/dbraw/zinc/30/02/30/700300230.db2.gz VHPBSWXRUBGYLJ-NTMALXAHSA-N -1 3 352.316 3.051 20 0 FGADHM COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2CC=CCC2)c(Cl)cc1Cl ZINC000080758919 700322264 /nfs/dbraw/zinc/32/22/64/700322264.db2.gz HQOXXXQTOVYQBV-SECBINFHSA-N -1 3 364.250 3.167 20 0 FGADHM CCc1cccc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)c(F)c2)c1 ZINC000080939977 700327267 /nfs/dbraw/zinc/32/72/67/700327267.db2.gz VOJOWXKAJDXOIZ-UHFFFAOYSA-N -1 3 364.442 3.026 20 0 FGADHM CCCCC[C@H](NC(=O)c1cc(S(=O)(=O)[N-]C)oc1C)C(C)(C)C ZINC000081761589 700340265 /nfs/dbraw/zinc/34/02/65/700340265.db2.gz HOFXGMLTHRUTPY-AWEZNQCLSA-N -1 3 358.504 3.221 20 0 FGADHM O=S(=O)([N-]Cc1sccc1Br)c1cccnc1Cl ZINC000084222554 700354858 /nfs/dbraw/zinc/35/48/58/700354858.db2.gz NKYNGFVXNUVNGI-UHFFFAOYSA-N -1 3 367.677 3.038 20 0 FGADHM CC(C)(C)C(=O)N1CCC[C@H]1C(=O)Nc1cc(Br)ccc1[O-] ZINC000085588455 700367816 /nfs/dbraw/zinc/36/78/16/700367816.db2.gz FXXBDTNWKOLXRS-LBPRGKRZSA-N -1 3 369.259 3.130 20 0 FGADHM [O-]c1c(Br)cccc1CN1CCC([C@H](O)C(F)(F)F)CC1 ZINC000093766565 700454271 /nfs/dbraw/zinc/45/42/71/700454271.db2.gz YXCWAZXNNONFQT-ZDUSSCGKSA-N -1 3 368.193 3.290 20 0 FGADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H](c1ccc(F)cc1)C1CCC1 ZINC000104743083 700495923 /nfs/dbraw/zinc/49/59/23/700495923.db2.gz NCLLFJWGWOOJPF-CQSZACIVSA-N -1 3 371.865 3.341 20 0 FGADHM O=C([N-]c1cc(F)cc(F)c1)c1sccc1S(=O)(=O)C(F)F ZINC000108154340 700523565 /nfs/dbraw/zinc/52/35/65/700523565.db2.gz SNGLCIPWJKZVKA-UHFFFAOYSA-N -1 3 353.318 3.275 20 0 FGADHM Cc1cc(C)[n-]c(=NNS(=O)(=O)c2ccc(Cl)c3ccccc32)n1 ZINC000121766706 700679667 /nfs/dbraw/zinc/67/96/67/700679667.db2.gz NBDCIGGBKLTPFR-UHFFFAOYSA-N -1 3 362.842 3.205 20 0 FGADHM CC(C)[C@@H](OC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)c1ccccn1 ZINC000121906928 700682373 /nfs/dbraw/zinc/68/23/73/700682373.db2.gz JXCKXELVEIDMSR-MRXNPFEDSA-N -1 3 366.414 3.146 20 0 FGADHM Cc1cc(S(=O)(=O)[N-][C@H](C)C[C@H](O)c2ccc(F)cc2)c(F)cc1F ZINC000123807160 700710090 /nfs/dbraw/zinc/71/00/90/700710090.db2.gz UKMPTDNPWORRCF-BZNIZROVSA-N -1 3 373.396 3.203 20 0 FGADHM Cc1noc(C2CC2)c1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000133299857 700836835 /nfs/dbraw/zinc/83/68/35/700836835.db2.gz DZJPYBBFPWZJKN-UHFFFAOYSA-N -1 3 351.200 3.259 20 0 FGADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]CC1(c2cccc(Cl)c2)CC1 ZINC000151523624 704926992 /nfs/dbraw/zinc/92/69/92/704926992.db2.gz GCRZFVBWZJBFSO-UHFFFAOYSA-N -1 3 374.293 3.045 20 0 FGADHM O=C(Nc1nc(Br)ccc1[O-])c1cn[nH]c1-c1ccccc1 ZINC000156380323 705113233 /nfs/dbraw/zinc/11/32/33/705113233.db2.gz PXDPPVVNSQUUJP-UHFFFAOYSA-N -1 3 359.183 3.192 20 0 FGADHM C[C@H](C[C@H](O)c1cccs1)[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000158094460 705172126 /nfs/dbraw/zinc/17/21/26/705172126.db2.gz INVJGUHIZBPNOD-SKDRFNHKSA-N -1 3 363.863 3.331 20 0 FGADHM O=S(=O)([N-]CC1([C@@H](O)c2ccccc2)CC1)c1cc(F)ccc1Cl ZINC000159242037 705216064 /nfs/dbraw/zinc/21/60/64/705216064.db2.gz SHWPLGKVSMDKDK-INIZCTEOSA-N -1 3 369.845 3.271 20 0 FGADHM O=S(=O)([N-]CC1([C@H](O)c2ccccc2)CC1)c1ccc(Cl)cc1F ZINC000159252295 705216825 /nfs/dbraw/zinc/21/68/25/705216825.db2.gz GIAOKYHHQVVLJN-MRXNPFEDSA-N -1 3 369.845 3.271 20 0 FGADHM COC(=O)c1cc(S(=O)(=O)[N-]c2c(C)cccc2F)ccc1Cl ZINC000160807209 705262035 /nfs/dbraw/zinc/26/20/35/705262035.db2.gz VTTMAOPNVFTWJN-UHFFFAOYSA-N -1 3 357.790 3.375 20 0 FGADHM Cc1cc(C(=O)N[N-]C(=O)c2ccccc2Br)ccc1Cl ZINC000164095086 705324867 /nfs/dbraw/zinc/32/48/67/705324867.db2.gz YVSGNSPSCLKHHS-UHFFFAOYSA-N -1 3 367.630 3.486 20 0 FGADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H](Cc1ccc(F)cc1)C(C)C ZINC000174049706 705484154 /nfs/dbraw/zinc/48/41/54/705484154.db2.gz HXIHPVAKOHEWRQ-AWEZNQCLSA-N -1 3 373.881 3.067 20 0 FGADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)[C@H]2C[C@H]2C2CC2)CC1 ZINC000176168423 705574998 /nfs/dbraw/zinc/57/49/98/705574998.db2.gz AXMANOHKLFVQRI-GJZGRUSLSA-N -1 3 362.857 3.269 20 0 FGADHM Cc1ccc(CC(=O)[N-]OCc2noc(-c3ccc(Cl)cc3)n2)cc1 ZINC000177580767 705629113 /nfs/dbraw/zinc/62/91/13/705629113.db2.gz PHHRYLDGIZTHOB-UHFFFAOYSA-N -1 3 357.797 3.489 20 0 FGADHM CC(C)(C[N-]S(=O)(=O)c1ccc(Cl)nc1Cl)c1ccncc1 ZINC000179534018 705704346 /nfs/dbraw/zinc/70/43/46/705704346.db2.gz OEWCWFBGDMENRY-UHFFFAOYSA-N -1 3 360.266 3.040 20 0 FGADHM C=CCCC[C@@H](C)NC(=O)N[N-]C(=O)c1ccc(F)cc1Br ZINC000181105332 705771904 /nfs/dbraw/zinc/77/19/04/705771904.db2.gz SEUXGWWMJHBKKI-SNVBAGLBSA-N -1 3 372.238 3.277 20 0 FGADHM O=C(NN=c1ccc(Cl)n[n-]1)N[C@H]1CCCOc2cc(Cl)ccc21 ZINC000181224660 705779309 /nfs/dbraw/zinc/77/93/09/705779309.db2.gz IPTQWRWAPBHEEJ-NSHDSACASA-N -1 3 368.224 3.323 20 0 FGADHM C[C@](O)(CC(=O)Nc1cc(Br)ccc1[O-])c1ccccc1 ZINC000182913118 705868340 /nfs/dbraw/zinc/86/83/40/705868340.db2.gz LAYFGTTVVCMUCF-INIZCTEOSA-N -1 3 350.212 3.391 20 0 FGADHM C[C@@H]1CC(C(=O)N[N-]C(=O)c2ccc(F)cc2Br)C[C@@H](C)C1 ZINC000183580982 705891383 /nfs/dbraw/zinc/89/13/83/705891383.db2.gz ACVOHMOOQRUYQJ-UWVGGRQHSA-N -1 3 371.250 3.422 20 0 FGADHM O=S(=O)([N-]C[C@@H](c1ccccc1)C(F)(F)F)c1ccc(Cl)nc1 ZINC000186280611 712714319 /nfs/dbraw/zinc/71/43/19/712714319.db2.gz QSWBFXYLJTTWTB-LBPRGKRZSA-N -1 3 364.776 3.359 20 0 FGADHM CN(CCOc1ccc(Cl)cc1)C(=O)/C(C#N)=C\c1ccc([O-])cc1 ZINC000188063571 712760756 /nfs/dbraw/zinc/76/07/56/712760756.db2.gz HATYDBFPDYCXFL-QINSGFPZSA-N -1 3 356.809 3.490 20 0 FGADHM C=C[C@@](C)(CC)C(=O)N[N-]C(=O)c1ccc(Br)cc1Cl ZINC000188263002 712765732 /nfs/dbraw/zinc/76/57/32/712765732.db2.gz MTDNAEBAVOSFPJ-AWEZNQCLSA-N -1 3 359.651 3.466 20 0 FGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(C(C)(F)F)c2)ccc1F ZINC000189411535 712793875 /nfs/dbraw/zinc/79/38/75/712793875.db2.gz ZKHQRYVPBPJFMU-UHFFFAOYSA-N -1 3 372.368 3.098 20 0 FGADHM Cc1ccc(S(=O)(=O)C[C@@H](C)NCc2c([O-])ccc(Cl)c2F)cc1 ZINC000191615471 712840103 /nfs/dbraw/zinc/84/01/03/712840103.db2.gz QGOJUSGAACDOCG-GFCCVEGCSA-N -1 3 371.861 3.445 20 0 FGADHM C[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000193101805 712882051 /nfs/dbraw/zinc/88/20/51/712882051.db2.gz PUWRGVAJYCDIFD-CYBMUJFWSA-N -1 3 360.841 3.270 20 0 FGADHM CC1(C)CCCC[C@H]1C(=O)NN=c1[n-]c(Br)cn2ccnc12 ZINC000193128581 712882805 /nfs/dbraw/zinc/88/28/05/712882805.db2.gz OHFCPEUBJSTANV-JTQLQIEISA-N -1 3 366.263 3.151 20 0 FGADHM CO[C@@H](C)CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000195427115 713556025 /nfs/dbraw/zinc/55/60/25/713556025.db2.gz HBMNTUIYDMCGBM-AWEZNQCLSA-N -1 3 362.451 3.159 20 0 FGADHM CC(=CC(=O)Nc1nnc(C(F)(F)F)[n-]1)c1ccccc1OC(F)F ZINC000255768074 713706675 /nfs/dbraw/zinc/70/66/75/713706675.db2.gz IAEYYGTXRIFEFF-SREVYHEPSA-N -1 3 362.258 3.467 20 0 FGADHM CC(=CC(=O)Nc1nc(C(F)(F)F)n[n-]1)c1ccccc1OC(F)F ZINC000255768074 713706677 /nfs/dbraw/zinc/70/66/77/713706677.db2.gz IAEYYGTXRIFEFF-SREVYHEPSA-N -1 3 362.258 3.467 20 0 FGADHM CC[C@]1(C(=O)[O-])CCCN(Cc2cc(Br)cc3c2OCC3)C1 ZINC000317631359 713807846 /nfs/dbraw/zinc/80/78/46/713807846.db2.gz YBTFNFTVIWQPAU-KRWDZBQOSA-N -1 3 368.271 3.461 20 0 FGADHM CC[C@]1(C(=O)[O-])CCCN(CC(=O)N[C@H](C)c2ccccc2Cl)C1 ZINC000324868825 713816737 /nfs/dbraw/zinc/81/67/37/713816737.db2.gz IOMWGTBSBRRNKB-ACJLOTCBSA-N -1 3 352.862 3.094 20 0 FGADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)[C@@H]2CCCCO2)sc1Br ZINC000379229237 713975559 /nfs/dbraw/zinc/97/55/59/713975559.db2.gz NZTFNFQAQSSRFI-UWVGGRQHSA-N -1 3 368.318 3.055 20 0 FGADHM O=C(Nc1nc(-c2ccc(O)cc2)cs1)c1cc2c(cc1[O-])OCO2 ZINC000436586099 714026717 /nfs/dbraw/zinc/02/67/17/714026717.db2.gz LFNCXCXYYGKHHA-UHFFFAOYSA-N -1 3 356.359 3.202 20 0 FGADHM O=C([N-]c1ncn(Cc2ccccc2)n1)c1csc(-c2ccoc2)n1 ZINC000521708899 714143581 /nfs/dbraw/zinc/14/35/81/714143581.db2.gz MPYVAVVNMFDNLO-UHFFFAOYSA-N -1 3 351.391 3.295 20 0 FGADHM Cc1[n-][nH]c(=O)c1CCNc1nc(C)nc2sc3c(c21)CC[C@@H](C)C3 ZINC000522263863 714179189 /nfs/dbraw/zinc/17/91/89/714179189.db2.gz AEPJOQHDRVHSLA-BXKDBHETSA-N -1 3 357.483 3.048 20 0 FGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)C(C)(C)c2ccccc2)s1 ZINC000524408114 714281715 /nfs/dbraw/zinc/28/17/15/714281715.db2.gz CKRHPHWKROKXLK-LBPRGKRZSA-N -1 3 367.492 3.179 20 0 FGADHM COc1ccc(C(=O)Nc2ccc(Br)cc2[O-])c(OC)c1 ZINC000642324033 717966585 /nfs/dbraw/zinc/96/65/85/717966585.db2.gz PZZSZPNCLKBFFY-UHFFFAOYSA-N -1 3 352.184 3.424 20 0 FGADHM C[S@](=O)C[C@H](NC(=O)c1cc([O-])c2ccccc2c1)c1ccccc1 ZINC000526927389 714412139 /nfs/dbraw/zinc/41/21/39/714412139.db2.gz MIDSQGWDTFSNPJ-BVZFJXPGSA-N -1 3 353.443 3.395 20 0 FGADHM Cc1csc(C(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)c1Br ZINC000526959623 714415501 /nfs/dbraw/zinc/41/55/01/714415501.db2.gz OPUVLABDACVXRI-SECBINFHSA-N -1 3 356.245 3.068 20 0 FGADHM O=S(=O)([N-]Cc1noc2c1CCCC2)c1c(Cl)cccc1Cl ZINC000573010646 714448894 /nfs/dbraw/zinc/44/88/94/714448894.db2.gz LAGZIBJQJXFRMW-UHFFFAOYSA-N -1 3 361.250 3.339 20 0 FGADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000583908077 714506475 /nfs/dbraw/zinc/50/64/75/714506475.db2.gz ADFJSYVHNXXSLD-VXGBXAGGSA-N -1 3 359.842 3.248 20 0 FGADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000583908077 714506476 /nfs/dbraw/zinc/50/64/76/714506476.db2.gz ADFJSYVHNXXSLD-VXGBXAGGSA-N -1 3 359.842 3.248 20 0 FGADHM CSc1ccc([O-])c(C(=O)N2CCN(C)C[C@H]2Cc2ccccc2)c1 ZINC000616549429 714592669 /nfs/dbraw/zinc/59/26/69/714592669.db2.gz CGESPKPMARJLSQ-MRXNPFEDSA-N -1 3 356.491 3.113 20 0 FGADHM Cc1nc(C)c(CC(=O)N[C@@H](CC(F)(F)F)c2ccccc2)c(=O)[n-]1 ZINC000617223182 714637397 /nfs/dbraw/zinc/63/73/97/714637397.db2.gz PQPXNSVMIGYFRY-AWEZNQCLSA-N -1 3 353.344 3.151 20 0 FGADHM O=C(c1ccc(O)cc1[O-])N1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000618298979 714732904 /nfs/dbraw/zinc/73/29/04/714732904.db2.gz VLVHILLFZCMQEJ-OCAPTIKFSA-N -1 3 357.250 3.301 20 0 FGADHM CCOC(=O)c1ncc(NC(=O)CO[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)[n-]1 ZINC000619446099 714836712 /nfs/dbraw/zinc/83/67/12/714836712.db2.gz PDWHGEKPGGYVGV-MELADBBJSA-N -1 3 351.447 3.002 20 0 FGADHM CCOC(=O)c1nc(NC(=O)CO[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)c[n-]1 ZINC000619446099 714836715 /nfs/dbraw/zinc/83/67/15/714836715.db2.gz PDWHGEKPGGYVGV-MELADBBJSA-N -1 3 351.447 3.002 20 0 FGADHM CCOC(=O)c1ncc(NC(=O)[C@H](C)CC(=O)c2ccc(Cl)cc2)[n-]1 ZINC000619449518 714836805 /nfs/dbraw/zinc/83/68/05/714836805.db2.gz LABSTMFEXLNUFK-SNVBAGLBSA-N -1 3 363.801 3.087 20 0 FGADHM CCOC(=O)c1nc(NC(=O)[C@H](C)CC(=O)c2ccc(Cl)cc2)c[n-]1 ZINC000619449518 714836807 /nfs/dbraw/zinc/83/68/07/714836807.db2.gz LABSTMFEXLNUFK-SNVBAGLBSA-N -1 3 363.801 3.087 20 0 FGADHM CCCCOc1ccc(C(=O)NCC2(O)CCC(F)(F)CC2)c([O-])c1 ZINC000620320521 714907863 /nfs/dbraw/zinc/90/78/63/714907863.db2.gz GSPHJFSELPPFOI-UHFFFAOYSA-N -1 3 357.397 3.241 20 0 FGADHM Cn1cc(C(=O)Nc2ccc(Br)cc2[O-])c(-c2cccnc2)n1 ZINC000620891556 714947879 /nfs/dbraw/zinc/94/78/79/714947879.db2.gz IMMANCPIUUFTSE-UHFFFAOYSA-N -1 3 373.210 3.203 20 0 FGADHM CNc1ccc(C(F)(F)F)cc1C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000621443255 714991846 /nfs/dbraw/zinc/99/18/46/714991846.db2.gz DUGGISXHVJDIPC-UHFFFAOYSA-N -1 3 353.226 3.136 20 0 FGADHM CNc1ccc(C(F)(F)F)cc1C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000621443255 714991847 /nfs/dbraw/zinc/99/18/47/714991847.db2.gz DUGGISXHVJDIPC-UHFFFAOYSA-N -1 3 353.226 3.136 20 0 FGADHM C[C@H](O)CN(Cc1ccccc1)C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621879890 715032254 /nfs/dbraw/zinc/03/22/54/715032254.db2.gz OKOJSRVNLVYEHV-LBPRGKRZSA-N -1 3 353.340 3.434 20 0 FGADHM O=C(NCCc1cnc(C2CC2)nc1)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621931772 715038093 /nfs/dbraw/zinc/03/80/93/715038093.db2.gz IBVBTLBAVVRTNQ-UHFFFAOYSA-N -1 3 351.328 3.051 20 0 FGADHM C[C@H](c1ccccc1)[C@@H](CO)NC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621945610 715039648 /nfs/dbraw/zinc/03/96/48/715039648.db2.gz UKQUGCWMTBSBSV-BDJLRTHQSA-N -1 3 353.340 3.305 20 0 FGADHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000621974981 715043046 /nfs/dbraw/zinc/04/30/46/715043046.db2.gz OBFPYTOUMZUYMI-UFBFGSQYSA-N -1 3 371.277 3.186 20 0 FGADHM CNC(=O)c1cccc(NC(=O)c2cc([O-])cc(C(F)(F)F)c2)c1C ZINC000622306808 715069295 /nfs/dbraw/zinc/06/92/95/715069295.db2.gz KHZZERALACFBDW-UHFFFAOYSA-N -1 3 352.312 3.331 20 0 FGADHM Cc1cnc([C@@H]([N-]S(=O)(=O)c2cncc(OC(C)C)c2)C2CC2)s1 ZINC000625018282 715643531 /nfs/dbraw/zinc/64/35/31/715643531.db2.gz WAYWKYWXPFVOOZ-HNNXBMFYSA-N -1 3 367.496 3.063 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2Cc3ccccc3CO2)sc1Cl ZINC000625329489 715706808 /nfs/dbraw/zinc/70/68/08/715706808.db2.gz BDBZCXAZSDMXJI-ZDUSSCGKSA-N -1 3 357.884 3.130 20 0 FGADHM COCC[C@H](Cc1ccco1)NC(=O)c1cc([O-])cc(Br)c1 ZINC000626428018 715904216 /nfs/dbraw/zinc/90/42/16/715904216.db2.gz PRLSKSKQJIOEKQ-CYBMUJFWSA-N -1 3 368.227 3.125 20 0 FGADHM CC(C)[C@H](NC(=O)c1cc([O-])cc(Br)c1)C1(CO)CC=CC1 ZINC000628013432 716097882 /nfs/dbraw/zinc/09/78/82/716097882.db2.gz VJHJHVBOVYDZHA-HNNXBMFYSA-N -1 3 368.271 3.238 20 0 FGADHM Cc1ncc(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2Cl)n1C ZINC000629304338 716258769 /nfs/dbraw/zinc/25/87/69/716258769.db2.gz QHRNPLGTZLVRAT-UHFFFAOYSA-N -1 3 369.752 3.081 20 0 FGADHM CO[C@H](CS(=O)(=O)[N-]c1ccc(SC)nc1)c1ccc(F)cc1 ZINC000629347585 716271270 /nfs/dbraw/zinc/27/12/70/716271270.db2.gz DHEQOAVFMLJCIO-CQSZACIVSA-N -1 3 356.444 3.072 20 0 FGADHM CC(C)(C)c1cnc(S(=O)(=O)Cc2nc3ccccc3n2C(F)F)[n-]1 ZINC000630435753 716450494 /nfs/dbraw/zinc/45/04/94/716450494.db2.gz FZERHDLWFSLDHO-UHFFFAOYSA-N -1 3 368.409 3.426 20 0 FGADHM CC(C)(C)c1c[n-]c(S(=O)(=O)Cc2nc3ccccc3n2C(F)F)n1 ZINC000630435753 716450496 /nfs/dbraw/zinc/45/04/96/716450496.db2.gz FZERHDLWFSLDHO-UHFFFAOYSA-N -1 3 368.409 3.426 20 0 FGADHM O=c1[nH]cc(S(=O)(=O)[N-][C@@H](c2ccccc2F)C2CCCC2)s1 ZINC000632090488 716719644 /nfs/dbraw/zinc/71/96/44/716719644.db2.gz IBKFTMNHTDVPFK-CQSZACIVSA-N -1 3 356.444 3.198 20 0 FGADHM CC[C@@H](C)N[C@@H](C[N-]S(=O)(=O)c1ccc(C(F)F)o1)c1ccco1 ZINC000632329312 716761615 /nfs/dbraw/zinc/76/16/15/716761615.db2.gz UHAKWUZZUGHXMV-MNOVXSKESA-N -1 3 362.398 3.218 20 0 FGADHM O=c1[nH]cc(S(=O)(=O)[N-][C@@H]2CC[C@H](c3cccc(Cl)c3)C2)s1 ZINC000632429165 716773759 /nfs/dbraw/zinc/77/37/59/716773759.db2.gz BXFKZMZXFUMYQZ-CMPLNLGQSA-N -1 3 358.872 3.117 20 0 FGADHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2c[nH]c(=O)s2)C[C@H](c2ccccc2)C1 ZINC000632456466 716776877 /nfs/dbraw/zinc/77/68/77/716776877.db2.gz FORKBESVJPTBHV-IACUBPJLSA-N -1 3 352.481 3.099 20 0 FGADHM 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AKPGUXYXCRDPEY-UHFFFAOYSA-N -1 3 365.451 3.143 20 0 FGADHM COc1ccc2c(c1)OCC[C@@H]2[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000680977175 722173406 /nfs/dbraw/zinc/17/34/06/722173406.db2.gz SIHCMPMKQSCZPK-AWEZNQCLSA-N -1 3 371.817 3.290 20 0 FGADHM COc1nc2ccc(NC(=O)c3c[n-]c4ccccc4c3=O)cc2s1 ZINC000683916210 722313763 /nfs/dbraw/zinc/31/37/63/722313763.db2.gz SJYUNRNRGWBRLG-UHFFFAOYSA-N -1 3 351.387 3.399 20 0 FGADHM CC(C)c1cc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)on1 ZINC000684099127 722321336 /nfs/dbraw/zinc/32/13/36/722321336.db2.gz AXNJQQPTRYDVFG-UHFFFAOYSA-N -1 3 366.336 3.434 20 0 FGADHM O=C(NCc1ncccc1[O-])[C@H]1C[C@@]12CCc1cc(Br)ccc12 ZINC000684984346 722370253 /nfs/dbraw/zinc/37/02/53/722370253.db2.gz DBQSNKMICPVTIZ-RDTXWAMCSA-N -1 3 373.250 3.070 20 0 FGADHM C[C@H](NCc1ncccc1[O-])c1cc2c(cc1Br)OCCO2 ZINC000685421856 722384346 /nfs/dbraw/zinc/38/43/46/722384346.db2.gz OHGFAGJLFCBBKQ-JTQLQIEISA-N -1 3 365.227 3.172 20 0 FGADHM CN(Cc1ccc(C(=O)NC2CC2)cc1)C(=O)c1cc([O-])ccc1Cl ZINC000685593606 722392768 /nfs/dbraw/zinc/39/27/68/722392768.db2.gz NPTLTOGWPBOXAO-UHFFFAOYSA-N -1 3 358.825 3.210 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)OCc2c(F)cccc2Cl)c([O-])c1 ZINC000726205011 722431722 /nfs/dbraw/zinc/43/17/22/722431722.db2.gz KOXRVKFWMIJZJD-UHFFFAOYSA-N -1 3 365.788 3.356 20 0 FGADHM O=S(=O)(/C=C\c1ccc(Cl)cc1)[N-]c1cnn(Cc2ccccn2)c1 ZINC000727113687 722441476 /nfs/dbraw/zinc/44/14/76/722441476.db2.gz UYRBBWIVCCDTRV-NTMALXAHSA-N -1 3 374.853 3.392 20 0 FGADHM COc1c(F)cc(Br)cc1S(=O)(=O)[N-]Cc1ccccc1 ZINC000730808188 722470953 /nfs/dbraw/zinc/47/09/53/722470953.db2.gz JZDXJGKOFYCRQV-UHFFFAOYSA-N -1 3 374.231 3.075 20 0 FGADHM Cc1nn(C)c(Cl)c1COC(=O)c1cccc(Br)c1[O-] ZINC000731724714 722477760 /nfs/dbraw/zinc/47/77/60/722477760.db2.gz NMJRAHBPQDCGOY-UHFFFAOYSA-N -1 3 359.607 3.207 20 0 FGADHM O=C(OCCCCCn1cccn1)c1cccc(Br)c1[O-] ZINC000733491157 722497833 /nfs/dbraw/zinc/49/78/33/722497833.db2.gz SKLKFUMGGLUCAS-UHFFFAOYSA-N -1 3 353.216 3.379 20 0 FGADHM C[C@@H](Oc1ccc(F)cc1Cl)C(=O)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000736175718 722522167 /nfs/dbraw/zinc/52/21/67/722522167.db2.gz QSUZAGZJSUPSOL-SECBINFHSA-N -1 3 362.748 3.032 20 0 FGADHM C[C@@H](Oc1ccc(F)cc1Cl)C(=O)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000736175718 722522168 /nfs/dbraw/zinc/52/21/68/722522168.db2.gz QSUZAGZJSUPSOL-SECBINFHSA-N -1 3 362.748 3.032 20 0 FGADHM C[C@@H]1CC[C@H](NC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)[C@@H](C)C1 ZINC000736242314 722522387 /nfs/dbraw/zinc/52/23/87/722522387.db2.gz RNQGZSFBTHCUDV-WWGRRREGSA-N -1 3 359.499 3.041 20 0 FGADHM C[C@@H]1CC[C@H](NC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)[C@@H](C)C1 ZINC000736242314 722522388 /nfs/dbraw/zinc/52/23/88/722522388.db2.gz RNQGZSFBTHCUDV-WWGRRREGSA-N -1 3 359.499 3.041 20 0 FGADHM O=C(OCc1cc(Br)cs1)c1sccc1-c1nnn[n-]1 ZINC000738237170 722529315 /nfs/dbraw/zinc/52/93/15/722529315.db2.gz YIFAJKVFRXMUJM-UHFFFAOYSA-N -1 3 371.241 3.109 20 0 FGADHM O=S(=O)([N-][C@H]1CCc2c1cccc2F)c1cnc(Cl)c(Cl)c1 ZINC000738363824 722529948 /nfs/dbraw/zinc/52/99/48/722529948.db2.gz LIOMQKUSJXDYPC-ZDUSSCGKSA-N -1 3 361.225 3.493 20 0 FGADHM O=S(=O)([N-]C[C@@H]1CCOc2ccccc21)c1cnc(Cl)c(Cl)c1 ZINC000738377825 722530110 /nfs/dbraw/zinc/53/01/10/722530110.db2.gz MEBSNLDLCZOTGF-JTQLQIEISA-N -1 3 373.261 3.233 20 0 FGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)NC2C[C@H](C)C[C@@H](C)C2)ccc1F ZINC000739652985 722533616 /nfs/dbraw/zinc/53/36/16/722533616.db2.gz DCKCLZGPXAKORL-CHWSQXEVSA-N -1 3 370.490 3.067 20 0 FGADHM CCc1cc(C[N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)n[nH]1 ZINC000739962864 722534497 /nfs/dbraw/zinc/53/44/97/722534497.db2.gz IKJBWXGFRMBUMG-UHFFFAOYSA-N -1 3 367.780 3.123 20 0 FGADHM C[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)CC1(C)OCCO1 ZINC000741158540 722543167 /nfs/dbraw/zinc/54/31/67/722543167.db2.gz YBDDEZBGZGWTMM-JTQLQIEISA-N -1 3 368.282 3.061 20 0 FGADHM Cc1ccc(N2CCC[C@H]([N-]S(=O)(=O)c3ccc(F)cc3F)C2)cc1 ZINC000742324416 722555409 /nfs/dbraw/zinc/55/54/09/722555409.db2.gz VRTBEVSWCGKLCU-HNNXBMFYSA-N -1 3 366.433 3.221 20 0 FGADHM CS(=O)(=O)CCCOC(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000746079580 722593150 /nfs/dbraw/zinc/59/31/50/722593150.db2.gz PFWWQVBGJKRMTL-UHFFFAOYSA-N -1 3 368.838 3.304 20 0 FGADHM Cc1noc(C(F)(F)F)c1C(=O)[N-]c1nc(-c2cnn(C)c2)cs1 ZINC000746300224 722597761 /nfs/dbraw/zinc/59/77/61/722597761.db2.gz LWPCRWWSKRYAQI-UHFFFAOYSA-N -1 3 357.317 3.111 20 0 FGADHM COc1ccc(C(=O)N[C@@H](C)[C@H](O)c2c(F)cccc2Cl)c([O-])c1 ZINC000747993754 722670685 /nfs/dbraw/zinc/67/06/85/722670685.db2.gz BPLDPTMWLGYZNT-FVMDXXJSSA-N -1 3 353.777 3.045 20 0 FGADHM CC[C@@](C)(CC(=O)OC)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000748655149 722700578 /nfs/dbraw/zinc/70/05/78/722700578.db2.gz GAMKBDOYPVHTBX-ZDUSSCGKSA-N -1 3 354.255 3.004 20 0 FGADHM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2cccnc2Cl)C12CCCCC2 ZINC000749300319 722723806 /nfs/dbraw/zinc/72/38/06/722723806.db2.gz HPOMKOAAMJQKGF-KBPBESRZSA-N -1 3 358.891 3.141 20 0 FGADHM O=C([N-]C[C@@H](c1ccccc1Cl)N1CCCC1)C(F)(F)C(F)F ZINC000749334977 722725100 /nfs/dbraw/zinc/72/51/00/722725100.db2.gz LCWBFXGKMLOOIU-LBPRGKRZSA-N -1 3 352.759 3.494 20 0 FGADHM CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000749393204 722727412 /nfs/dbraw/zinc/72/74/12/722727412.db2.gz DHCYAOXBSLSDIA-LLVKDONJSA-N -1 3 358.847 3.294 20 0 FGADHM COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-][C@H]1CCCC[C@@H]1C(C)C ZINC000751067231 722793375 /nfs/dbraw/zinc/79/33/75/722793375.db2.gz OEGZOVPPZKXWKA-NEPJUHHUSA-N -1 3 374.890 3.015 20 0 FGADHM COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCC(C)(C)C[C@H]1C ZINC000751479101 722809345 /nfs/dbraw/zinc/80/93/45/722809345.db2.gz LTVHZXMPOXDCOK-GHMZBOCLSA-N -1 3 374.890 3.015 20 0 FGADHM CC(C)CSCCCOC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000751666304 722819286 /nfs/dbraw/zinc/81/92/86/722819286.db2.gz HOBARSHQSKAZJF-MRXNPFEDSA-N -1 3 365.495 3.319 20 0 FGADHM Cn1cc(-c2nc(COC(=O)c3cc(F)cc(Cl)c3[O-])cs2)cn1 ZINC000751729989 722823710 /nfs/dbraw/zinc/82/37/10/722823710.db2.gz FEWLVWXKJZPRPA-UHFFFAOYSA-N -1 3 367.789 3.399 20 0 FGADHM Cn1cc(S(=O)(=O)[N-][C@H]2CCC[C@H](c3ccccc3)C2)nc1Cl ZINC000752873728 722875603 /nfs/dbraw/zinc/87/56/03/722875603.db2.gz AKBNCOFIMCHENO-KBPBESRZSA-N -1 3 353.875 3.078 20 0 FGADHM Nc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)c([O-])c1 ZINC000753019405 722882035 /nfs/dbraw/zinc/88/20/35/722882035.db2.gz GPVZDWNSQXJYIV-UHFFFAOYSA-N -1 3 355.375 3.079 20 0 FGADHM CCN(CC)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)N(C)CC3)cc1 ZINC000753155399 722887710 /nfs/dbraw/zinc/88/77/10/722887710.db2.gz OCDKFCDBYSCYCH-UHFFFAOYSA-N -1 3 359.495 3.326 20 0 FGADHM CSc1nsc([N-]C(=O)c2cc(OCc3ccccc3)ccn2)n1 ZINC000753328271 722894198 /nfs/dbraw/zinc/89/41/98/722894198.db2.gz ACMRHRHFNIENJM-UHFFFAOYSA-N -1 3 358.448 3.486 20 0 FGADHM O=C(OCC1CCC2(CC1)OCCO2)c1cccc(Br)c1[O-] ZINC000753394209 722897229 /nfs/dbraw/zinc/89/72/29/722897229.db2.gz CQJOOMILKDYZAL-UHFFFAOYSA-N -1 3 371.227 3.245 20 0 FGADHM Cc1nc2cc(Br)cc([N-]C(=O)c3snnc3C)c2o1 ZINC000754576880 722942525 /nfs/dbraw/zinc/94/25/25/722942525.db2.gz FJFQZOYHCLQLKE-UHFFFAOYSA-N -1 3 353.201 3.311 20 0 FGADHM O=S(=O)([N-]N=c1ccc(C(F)(F)F)c[nH]1)c1cc(F)cc(Cl)c1 ZINC000755406425 722953032 /nfs/dbraw/zinc/95/30/32/722953032.db2.gz BPYHKCVBCQCWNM-UHFFFAOYSA-N -1 3 369.727 3.198 20 0 FGADHM CCCCCC(C)(C)CNC(=O)c1ccc(F)c(S(=O)(=O)[N-]C)c1 ZINC000755462048 722953562 /nfs/dbraw/zinc/95/35/62/722953562.db2.gz MZIVCNXQXPYUJQ-UHFFFAOYSA-N -1 3 358.479 3.070 20 0 FGADHM O=C([O-])CCCCCCNCc1cn(-c2ccc(F)cc2Cl)nn1 ZINC000756281646 722962422 /nfs/dbraw/zinc/96/24/22/722962422.db2.gz HRPGTXUNIIEBIT-UHFFFAOYSA-N -1 3 354.813 3.185 20 0 FGADHM O=C(O[C@@H]1CCN(c2c(F)cccc2F)C1=O)c1cc2ccsc2[n-]1 ZINC000756350041 722963257 /nfs/dbraw/zinc/96/32/57/722963257.db2.gz GTEQTBNASQFJSU-CYBMUJFWSA-N -1 3 362.357 3.470 20 0 FGADHM CCOC(=O)[C@H]([N-]C(=O)C(F)(F)c1nccs1)c1cccc(C)c1C ZINC000756748270 722969496 /nfs/dbraw/zinc/96/94/96/722969496.db2.gz BXYZGRFJHYEOHT-CYBMUJFWSA-N -1 3 368.405 3.272 20 0 FGADHM O=C([N-]CCNc1ncc(Cl)cc1Cl)C(F)(F)c1nccs1 ZINC000756812799 722970389 /nfs/dbraw/zinc/97/03/89/722970389.db2.gz OEGNDHNTPJDMFQ-UHFFFAOYSA-N -1 3 367.208 3.165 20 0 FGADHM O=C([N-]C[C@@H](O)c1cc(Cl)cc(Cl)c1)C(F)(F)c1nccs1 ZINC000756842292 722970655 /nfs/dbraw/zinc/97/06/55/722970655.db2.gz LXLYOXLGZCBNQK-SNVBAGLBSA-N -1 3 367.204 3.392 20 0 FGADHM O=C(NCCSCc1ccnc(Cl)c1)NCc1ccc([O-])c(F)c1 ZINC000758501510 722990762 /nfs/dbraw/zinc/99/07/62/722990762.db2.gz BKNRMFMVBMQBKN-UHFFFAOYSA-N -1 3 369.849 3.312 20 0 FGADHM CCc1onc(C)c1[N-]C(=O)c1nc(NCc2ccco2)ncc1Cl ZINC000760083127 723037411 /nfs/dbraw/zinc/03/74/11/723037411.db2.gz UWTYCMXCNUHCHY-UHFFFAOYSA-N -1 3 361.789 3.446 20 0 FGADHM COC(=O)c1cc(C)nc2nc([N-]C(=O)c3nc(Cl)cs3)sc21 ZINC000789938795 723086407 /nfs/dbraw/zinc/08/64/07/723086407.db2.gz CMOCTKYLZUJIQT-UHFFFAOYSA-N -1 3 368.827 3.149 20 0 FGADHM CCCCn1c(SCc2nc(C)cc(=O)[n-]2)nnc1[C@H](CC)N(C)C ZINC000761852502 723190371 /nfs/dbraw/zinc/19/03/71/723190371.db2.gz PWANUNQCMDNKPV-ZDUSSCGKSA-N -1 3 364.519 3.187 20 0 FGADHM O=C(c1cc2sccc2c([O-])c1)N1CCN(c2cccc(O)c2)CC1 ZINC000791306390 723227736 /nfs/dbraw/zinc/22/77/36/723227736.db2.gz NECFRWRDNPOVTH-UHFFFAOYSA-N -1 3 354.431 3.275 20 0 FGADHM Cc1ccoc1C(=O)NCCCNC(=O)c1cc2sccc2c([O-])c1 ZINC000791368083 723235372 /nfs/dbraw/zinc/23/53/72/723235372.db2.gz WEVVRBXCXQBPFO-UHFFFAOYSA-N -1 3 358.419 3.058 20 0 FGADHM C[N-]S(=O)(=O)c1cc(-c2nc(C3CCCCCCC3)no2)c(C)o1 ZINC000762359043 723236477 /nfs/dbraw/zinc/23/64/77/723236477.db2.gz WYQIHRPANBEEHE-UHFFFAOYSA-N -1 3 353.444 3.374 20 0 FGADHM COC(=O)c1ccc(F)c([N-]C(=O)c2nc(Br)ccc2F)c1 ZINC000791490703 723250974 /nfs/dbraw/zinc/25/09/74/723250974.db2.gz NOYLYRUPXOCBDI-UHFFFAOYSA-N -1 3 371.137 3.161 20 0 FGADHM CS(=O)(=O)c1ccc(COC(=O)CCCc2ccc([O-])c(F)c2)cc1 ZINC000792168250 723317800 /nfs/dbraw/zinc/31/78/00/723317800.db2.gz CVKYNSUSRCZBNV-UHFFFAOYSA-N -1 3 366.410 3.001 20 0 FGADHM CN(C)C(=O)Sc1ccccc1NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000764479979 723417397 /nfs/dbraw/zinc/41/73/97/723417397.db2.gz 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3.340 20 0 FGADHM Cc1ccc(C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)c(Cl)c1C ZINC000826281748 729406986 /nfs/dbraw/zinc/40/69/86/729406986.db2.gz IMFIZHZBNAVXJU-UHFFFAOYSA-N -1 3 353.813 3.340 20 0 FGADHM Clc1ccc(N2CC[C@H](COc3ccccc3)C2)c(-c2nnn[n-]2)c1 ZINC000826352038 729407513 /nfs/dbraw/zinc/40/75/13/729407513.db2.gz KKRWTBXYXJJWHU-ZDUSSCGKSA-N -1 3 355.829 3.425 20 0 FGADHM Clc1ccc(N2CC[C@H](COc3ccccc3)C2)c(-c2nn[n-]n2)c1 ZINC000826352038 729407514 /nfs/dbraw/zinc/40/75/14/729407514.db2.gz KKRWTBXYXJJWHU-ZDUSSCGKSA-N -1 3 355.829 3.425 20 0 FGADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)Nc1cncc(Cl)c1Cl ZINC000826408565 729407953 /nfs/dbraw/zinc/40/79/53/729407953.db2.gz LYLFJMZSKGOMIK-UHFFFAOYSA-N -1 3 363.208 3.140 20 0 FGADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)Nc1cncc(Cl)c1Cl ZINC000826408565 729407955 /nfs/dbraw/zinc/40/79/55/729407955.db2.gz LYLFJMZSKGOMIK-UHFFFAOYSA-N -1 3 363.208 3.140 20 0 FGADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)OC2CCC2)CC1 ZINC000830609262 729576186 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O=C(OCc1cc(=O)[n-]c(C2CC2)n1)c1cccc(F)c1Br ZINC000837742675 730059589 /nfs/dbraw/zinc/05/95/89/730059589.db2.gz GUTCYOCDDWMYJE-UHFFFAOYSA-N -1 3 367.174 3.318 20 0 FGADHM C[C@]1(CC(=O)OCc2noc(-c3ccccc3[O-])n2)CC1(Cl)Cl ZINC000838158501 730095219 /nfs/dbraw/zinc/09/52/19/730095219.db2.gz PEAPBQAIVCCPHX-AWEZNQCLSA-N -1 3 357.193 3.459 20 0 FGADHM Cc1sc2[n-]c([C@@H](C)OC(=O)[C@@H]3C[C@H]4CC(=O)[C@@H]3C4)nc(=O)c2c1C ZINC000838448483 730121429 /nfs/dbraw/zinc/12/14/29/730121429.db2.gz LDYXGSVCCLXUPQ-SASUGWTJSA-N -1 3 360.435 3.233 20 0 FGADHM CC(C)(C)OC(=O)N1CCc2nc(C=Cc3nccc(=O)[n-]3)sc2C1 ZINC000840715159 730165173 /nfs/dbraw/zinc/16/51/73/730165173.db2.gz CAFCTQFXFJGELX-SNAWJCMRSA-N -1 3 360.439 3.102 20 0 FGADHM C[C@H]1[C@@H](C)N(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)C[C@H]1C ZINC000841363111 730235409 /nfs/dbraw/zinc/23/54/09/730235409.db2.gz UFPCFLBUDLCKDD-JHJVBQTASA-N -1 3 370.490 3.019 20 0 FGADHM C[C@@H](CCCc1cccnc1)[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000841538861 730254369 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CCOC(=O)[C@@H]([N-]C(=O)C(F)(F)c1nccs1)C1CCCCCC1 ZINC000847251592 731040257 /nfs/dbraw/zinc/04/02/57/731040257.db2.gz FDOAKINWGQZRRT-LBPRGKRZSA-N -1 3 360.426 3.253 20 0 FGADHM CCO/C=C/[C@](O)(C[N-]C(=O)C(F)(F)c1ccc(C)cc1)C(F)(F)F ZINC000848180189 731139155 /nfs/dbraw/zinc/13/91/55/731139155.db2.gz VAEUEPJFIQKHKT-VFNNOXKTSA-N -1 3 367.314 3.047 20 0 FGADHM Cc1nc(C)c(CC(=O)NCCCc2c(Cl)cccc2Cl)c(=O)[n-]1 ZINC000848298045 731152826 /nfs/dbraw/zinc/15/28/26/731152826.db2.gz RMDFQOZUFIZVDI-UHFFFAOYSA-N -1 3 368.264 3.397 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)[C@H]1CCCCO1 ZINC000848509878 731173004 /nfs/dbraw/zinc/17/30/04/731173004.db2.gz PLAWLBMGBRKYDV-NWDGAFQWSA-N -1 3 353.271 3.014 20 0 FGADHM CO[C@@H](CS(=O)(=O)[N-]CC(=O)c1ccccc1Cl)C1CCCCC1 ZINC000849386448 731254821 /nfs/dbraw/zinc/25/48/21/731254821.db2.gz IBDDTDCVMLRFRZ-KRWDZBQOSA-N -1 3 373.902 3.037 20 0 FGADHM CCN(CC)[C@@H](CNC(=O)C1CCC(C(=O)[O-])CC1)c1ccsc1 ZINC000851690887 731483602 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366.461 3.164 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](C)c2nc(C3CCCCC3)no2)c1 ZINC000075417770 494759382 /nfs/dbraw/zinc/75/93/82/494759382.db2.gz RQUQTOXNPBMGMW-LLVKDONJSA-N -1 3 372.425 3.272 20 0 FGADHM COc1ccccc1-c1nc(NC(=O)Cc2c[nH]c3c2cccc3C)n[n-]1 ZINC000131893482 494765972 /nfs/dbraw/zinc/76/59/72/494765972.db2.gz FUUAKBSQQQIFTM-UHFFFAOYSA-N -1 3 361.405 3.451 20 0 FGADHM Cc1csc(C(C)(C)[N-]S(=O)(=O)c2ccc(F)c(F)c2F)n1 ZINC000116378637 494770645 /nfs/dbraw/zinc/77/06/45/494770645.db2.gz IAHPSJWHIGCHPC-UHFFFAOYSA-N -1 3 350.387 3.082 20 0 FGADHM COc1ccc(C(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)c([O-])c1 ZINC000131915199 494772377 /nfs/dbraw/zinc/77/23/77/494772377.db2.gz VGWFEHLCRUZIJF-INIZCTEOSA-N -1 3 354.450 3.137 20 0 FGADHM CCOCCCNC(=O)c1cccc(NC(=O)c2ccc(C)cc2[O-])c1 ZINC000126503020 494772991 /nfs/dbraw/zinc/77/29/91/494772991.db2.gz PKJIDUGWYWDYHZ-UHFFFAOYSA-N -1 3 356.422 3.109 20 0 FGADHM CCOCCCNC(=O)c1cccc(NC(=O)c2cc(C)ccc2[O-])c1 ZINC000126503940 494773375 /nfs/dbraw/zinc/77/33/75/494773375.db2.gz JCSDUFSUXLRFFJ-UHFFFAOYSA-N -1 3 356.422 3.109 20 0 FGADHM CC1(C)C[C@H]1C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000126516900 494777315 /nfs/dbraw/zinc/77/73/15/494777315.db2.gz DXSQKQBGLFGYJS-VIFPVBQESA-N -1 3 350.362 3.062 20 0 FGADHM COc1ccc(C(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)c([O-])c1 ZINC000075490668 494776164 /nfs/dbraw/zinc/77/61/64/494776164.db2.gz QASLIJYQPAMIBU-MRXNPFEDSA-N -1 3 354.450 3.137 20 0 FGADHM C[C@@H]1C[C@H]1C(=O)Nc1ccc(F)cc1C(=O)[N-]c1nnc(C(F)F)s1 ZINC000108786731 494787284 /nfs/dbraw/zinc/78/72/84/494787284.db2.gz CRIFMCLNFUCUQK-HTRCEHHLSA-N -1 3 370.356 3.462 20 0 FGADHM Cn1ccnc1-c1cc(NC(=O)c2cccc(C(=O)OC(C)(C)C)c2)n[n-]1 ZINC000092125612 494797036 /nfs/dbraw/zinc/79/70/36/494797036.db2.gz UWRAUNYQOGVSRX-UHFFFAOYSA-N -1 3 367.409 3.018 20 0 FGADHM Cn1ccnc1-c1cc(NC(=O)c2cccc(C(=O)OC(C)(C)C)c2)[n-]n1 ZINC000092125612 494797046 /nfs/dbraw/zinc/79/70/46/494797046.db2.gz UWRAUNYQOGVSRX-UHFFFAOYSA-N -1 3 367.409 3.018 20 0 FGADHM O=C(NCCNC(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1)c1ccc([O-])cc1 ZINC000108891044 494800422 /nfs/dbraw/zinc/80/04/22/494800422.db2.gz NKKKLMPSOXHCHM-LEWJYISDSA-N -1 3 374.440 3.195 20 0 FGADHM O=C(Nc1cc(Br)ccc1[O-])c1ccccc1Cn1cncn1 ZINC000126621958 494804087 /nfs/dbraw/zinc/80/40/87/494804087.db2.gz POLXHXXMWPZLNH-UHFFFAOYSA-N -1 3 373.210 3.047 20 0 FGADHM CC[C@@H]1CO[C@H](C)CN1Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000026195990 494809199 /nfs/dbraw/zinc/80/91/99/494809199.db2.gz DESLNHDHTXXLRS-VXGBXAGGSA-N -1 3 359.451 3.244 20 0 FGADHM Cc1cc(F)cc([C@]2(F)CCN(C(=O)c3cc(=O)[n-]c(C4CC4)n3)C2)c1 ZINC000568646149 505744292 /nfs/dbraw/zinc/74/42/92/505744292.db2.gz CAPQHDOHOFJJAD-IBGZPJMESA-N -1 3 359.376 3.218 20 0 FGADHM CC(C)(C)Oc1cccc(CCC(=O)Nc2cccc(-c3nnn[n-]3)c2)n1 ZINC000121639601 494827387 /nfs/dbraw/zinc/82/73/87/494827387.db2.gz XUERDJJOIREVQA-UHFFFAOYSA-N -1 3 366.425 3.010 20 0 FGADHM CC(C)(C)Oc1cccc(CCC(=O)Nc2cccc(-c3nn[n-]n3)c2)n1 ZINC000121639601 494827392 /nfs/dbraw/zinc/82/73/92/494827392.db2.gz XUERDJJOIREVQA-UHFFFAOYSA-N -1 3 366.425 3.010 20 0 FGADHM Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2ccccc2[O-])cc1C ZINC000109217190 494848950 /nfs/dbraw/zinc/84/89/50/494848950.db2.gz UBYYCQVKJUQRET-MRXNPFEDSA-N -1 3 356.447 3.163 20 0 FGADHM CCC1(CC)CN(Cc2cc([O-])cc(C(F)(F)F)c2)CCS1(=O)=O ZINC000580384445 505746442 /nfs/dbraw/zinc/74/64/42/505746442.db2.gz VJHMAVSOELPTMF-UHFFFAOYSA-N -1 3 365.417 3.200 20 0 FGADHM Cc1cccc(N2CCN(Cc3nc4c5ccccc5oc4c(=O)[n-]3)CC2)c1 ZINC000027384344 494865854 /nfs/dbraw/zinc/86/58/54/494865854.db2.gz NJMVYVICCSAEIO-UHFFFAOYSA-N -1 3 374.444 3.300 20 0 FGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)[C@H]1C[C@H]1c1cccc(F)c1F ZINC000093316557 494867179 /nfs/dbraw/zinc/86/71/79/494867179.db2.gz FNDOZFYMGQIAMM-QWRGUYRKSA-N -1 3 364.348 3.434 20 0 FGADHM CC[C@@H](C)[C@H](C(=O)NCCCNC(=O)c1cccc([O-])c1)c1ccccc1 ZINC000116975802 494878337 /nfs/dbraw/zinc/87/83/37/494878337.db2.gz IPEYXIPBNXEJPN-UZLBHIALSA-N -1 3 368.477 3.458 20 0 FGADHM CC[C@@H](C)[C@@H](C(=O)NCCCNC(=O)c1cccc([O-])c1)c1ccccc1 ZINC000116975806 494878696 /nfs/dbraw/zinc/87/86/96/494878696.db2.gz IPEYXIPBNXEJPN-OXQOHEQNSA-N -1 3 368.477 3.458 20 0 FGADHM O=C(NCc1cc2ccccc2o1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000127032698 494882488 /nfs/dbraw/zinc/88/24/88/494882488.db2.gz JVHGTYMDOWJQMI-KRWDZBQOSA-N -1 3 364.401 3.059 20 0 FGADHM CCOC(=O)CN(Cc1ccccc1)C(=O)Cc1ccc([O-])cc1Cl ZINC000127069777 494888990 /nfs/dbraw/zinc/88/89/90/494888990.db2.gz MZVKKZYBJHWZMM-UHFFFAOYSA-N -1 3 361.825 3.180 20 0 FGADHM COC(=O)c1sc2[n-]c(CSc3cccs3)nc(=O)c2c1C ZINC000117110882 494890937 /nfs/dbraw/zinc/89/09/37/494890937.db2.gz HXDQYDMJCTYPRL-UHFFFAOYSA-N -1 3 352.462 3.433 20 0 FGADHM C[C@H](CNC(=O)[C@H](C)Sc1n[n-]c(-c2ccccn2)n1)c1ccccc1 ZINC000117114113 494892347 /nfs/dbraw/zinc/89/23/47/494892347.db2.gz HXJQONFQLWBEIA-KGLIPLIRSA-N -1 3 367.478 3.267 20 0 FGADHM CCc1cccc(C)c1NC(=O)CSc1n[n-]c(-c2ccccn2)n1 ZINC000117114878 494893627 /nfs/dbraw/zinc/89/36/27/494893627.db2.gz JBTQSMDREAGGMZ-UHFFFAOYSA-N -1 3 353.451 3.468 20 0 FGADHM Cc1nn(-c2ccccc2)cc1C(=O)Nc1n[n-]c(-c2ccccc2F)n1 ZINC000109624755 494898380 /nfs/dbraw/zinc/89/83/80/494898380.db2.gz GFKHBBGMGBGWAS-UHFFFAOYSA-N -1 3 362.368 3.357 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-]C[C@H](C)Oc1cccc(Cl)c1 ZINC000121988926 494904763 /nfs/dbraw/zinc/90/47/63/494904763.db2.gz WMYPTGWBJIVYEO-JTQLQIEISA-N -1 3 361.872 3.156 20 0 FGADHM Cc1cnn([C@@H]2CCCN(C(=O)c3ccc4c(c3[O-])OC(C)(C)C4)C2)c1 ZINC000109686207 494907551 /nfs/dbraw/zinc/90/75/51/494907551.db2.gz XAHUTLWQLQEKJX-OAHLLOKOSA-N -1 3 355.438 3.088 20 0 FGADHM CCc1nc([N-]C(=O)c2cc(-c3ccccc3)no2)sc1C(=O)OC ZINC000127292101 494923996 /nfs/dbraw/zinc/92/39/96/494923996.db2.gz SFQXIPSCZVOUKU-UHFFFAOYSA-N -1 3 357.391 3.399 20 0 FGADHM O=C(CCCc1ccc(Cl)cc1)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000109875602 494928633 /nfs/dbraw/zinc/92/86/33/494928633.db2.gz NDBFUULLRDMALY-UHFFFAOYSA-N -1 3 355.829 3.159 20 0 FGADHM O=C(CCCc1ccc(Cl)cc1)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000109875602 494928637 /nfs/dbraw/zinc/92/86/37/494928637.db2.gz NDBFUULLRDMALY-UHFFFAOYSA-N -1 3 355.829 3.159 20 0 FGADHM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3c(C)[nH]nc3c2)cc1 ZINC000093909536 494933784 /nfs/dbraw/zinc/93/37/84/494933784.db2.gz QHZMOJJFRBDBKL-UHFFFAOYSA-N -1 3 358.423 3.021 20 0 FGADHM CCn1cnnc1-c1ccccc1NC(=O)c1cc(C)cc(OC)c1[O-] ZINC000094013435 494939108 /nfs/dbraw/zinc/93/91/08/494939108.db2.gz YQJZLIDRSVQBAZ-UHFFFAOYSA-N -1 3 352.394 3.240 20 0 FGADHM Cc1ccc([N-]S(=O)(=O)c2cccc(F)c2F)c(OCCN(C)C)c1 ZINC000127403384 494940110 /nfs/dbraw/zinc/94/01/10/494940110.db2.gz WSXJRYNVWQDLSN-UHFFFAOYSA-N -1 3 370.421 3.014 20 0 FGADHM CCc1cccc(C(=O)N2CCC[C@@H](C(=O)Nc3cccc(C)n3)C2)c1[O-] ZINC000094019254 494940817 /nfs/dbraw/zinc/94/08/17/494940817.db2.gz HSEOSNPNKNJEBY-MRXNPFEDSA-N -1 3 367.449 3.149 20 0 FGADHM CCCCN(C(=O)c1cc(S(=O)(=O)[N-]C)oc1C)[C@H]1CCC[C@H](C)C1 ZINC000577553748 505750793 /nfs/dbraw/zinc/75/07/93/505750793.db2.gz XLFWEXOLUGUCEL-ZFWWWQNUSA-N -1 3 370.515 3.317 20 0 FGADHM CCc1ccc([O-])c(C(=O)NCc2cccc(NC(=O)[C@H]3CCCO3)c2)c1 ZINC000132924481 494943911 /nfs/dbraw/zinc/94/39/11/494943911.db2.gz UVKDCJFHPYPFHT-LJQANCHMSA-N -1 3 368.433 3.002 20 0 FGADHM COc1cc(C)cc(C(=O)Nc2ccc(C(=O)NC(C)C)c(C)c2)c1[O-] ZINC000094125658 494952722 /nfs/dbraw/zinc/95/27/22/494952722.db2.gz XZRXIEPGIYCFOQ-UHFFFAOYSA-N -1 3 356.422 3.408 20 0 FGADHM CC(C)c1cc(C(=O)N(C)[C@H](C)CS(C)(=O)=O)c([O-])c(C(C)C)c1 ZINC000094132124 494952768 /nfs/dbraw/zinc/95/27/68/494952768.db2.gz OBBJYMDQEGCKAF-CYBMUJFWSA-N -1 3 355.500 3.144 20 0 FGADHM CCn1c2ccccc2nc1[C@@H](C)NC(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000122352222 494961961 /nfs/dbraw/zinc/96/19/61/494961961.db2.gz DUSVZSQBBUFHEE-GFCCVEGCSA-N -1 3 366.421 3.211 20 0 FGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(NC(=O)Cc2ccsc2)ccc1F ZINC000133244276 494989338 /nfs/dbraw/zinc/98/93/38/494989338.db2.gz OJITUBLVKVLJLS-UHFFFAOYSA-N -1 3 370.471 3.145 20 0 FGADHM CC(C)C[C@@H](C)S(=O)(=O)[N-][C@@H](c1nc(-c2cccnc2)no1)C(C)C ZINC000118430393 495001767 /nfs/dbraw/zinc/00/17/67/495001767.db2.gz PIOSWMVOURJCRQ-UKRRQHHQSA-N -1 3 366.487 3.183 20 0 FGADHM Cc1nncn1-c1cccc(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)c1 ZINC000133369648 495006600 /nfs/dbraw/zinc/00/66/00/495006600.db2.gz WDVMWBXOAZRATG-UHFFFAOYSA-N -1 3 364.405 3.247 20 0 FGADHM O=C(Cc1cc(Cl)ccc1Cl)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000110787340 495009716 /nfs/dbraw/zinc/00/97/16/495009716.db2.gz ARJRWDILECOHFS-UHFFFAOYSA-N -1 3 362.220 3.032 20 0 FGADHM O=C(Cc1cc(Cl)ccc1Cl)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000110787340 495009721 /nfs/dbraw/zinc/00/97/21/495009721.db2.gz ARJRWDILECOHFS-UHFFFAOYSA-N -1 3 362.220 3.032 20 0 FGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)[C@H]1C[C@H]1c1cccc2ccccc21 ZINC000110786222 495010107 /nfs/dbraw/zinc/01/01/07/495010107.db2.gz TVAJJLMQBIVIHR-PMACEKPBSA-N -1 3 369.428 3.440 20 0 FGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)[C@H]1C[C@H]1c1cccc2ccccc21 ZINC000110786222 495010108 /nfs/dbraw/zinc/01/01/08/495010108.db2.gz TVAJJLMQBIVIHR-PMACEKPBSA-N -1 3 369.428 3.440 20 0 FGADHM CC[C@H]1CCCCN1CCNC(=O)c1ccc(Br)c([O-])c1 ZINC000133455324 495015765 /nfs/dbraw/zinc/01/57/65/495015765.db2.gz HLBNTKRSPOHYTD-ZDUSSCGKSA-N -1 3 355.276 3.149 20 0 FGADHM O=c1nc(CN2CCCC[C@H]2CCO)[n-]c2scc(-c3ccccc3)c21 ZINC000096970721 495017884 /nfs/dbraw/zinc/01/78/84/495017884.db2.gz KMIZOSXKKBDAOO-HNNXBMFYSA-N -1 3 369.490 3.389 20 0 FGADHM CC[C@@]1(c2ccc(NC(=O)c3cccc(C)c3[O-])cc2)CCC(=O)NC1=O ZINC000097152437 495026040 /nfs/dbraw/zinc/02/60/40/495026040.db2.gz IGVJTNYDJXDKIA-NRFANRHFSA-N -1 3 366.417 3.037 20 0 FGADHM COC(=O)c1sccc1S(=O)(=O)[N-]Cc1ccc2ccccc2c1 ZINC000097324621 495031663 /nfs/dbraw/zinc/03/16/63/495031663.db2.gz SCCUDKMQBUCBSX-UHFFFAOYSA-N -1 3 361.444 3.166 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)NCc2ccccc2Br)c1 ZINC000097374237 495033961 /nfs/dbraw/zinc/03/39/61/495033961.db2.gz HQFZPQPNLXZYDH-UHFFFAOYSA-N -1 3 363.211 3.043 20 0 FGADHM Cc1cccc(C(=O)N2CCC(NC(=O)Nc3ccccc3)CC2)c1[O-] ZINC000097668118 495040600 /nfs/dbraw/zinc/04/06/00/495040600.db2.gz AHUAWADOVJZCBP-UHFFFAOYSA-N -1 3 353.422 3.127 20 0 FGADHM COc1ccc([O-])c(C(=O)NCC2(c3ccc(F)cc3)CCOCC2)c1 ZINC000097669314 495041010 /nfs/dbraw/zinc/04/10/10/495041010.db2.gz JHLXJZPIUBTPMA-UHFFFAOYSA-N -1 3 359.397 3.018 20 0 FGADHM COc1ccc2c(c1)CCC[C@H]2CC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000098097356 495053644 /nfs/dbraw/zinc/05/36/44/495053644.db2.gz ZBSSGOHAYFEVHT-AWEZNQCLSA-N -1 3 363.421 3.324 20 0 FGADHM COc1ccc2c(c1)CCC[C@H]2CC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000098097356 495053649 /nfs/dbraw/zinc/05/36/49/495053649.db2.gz ZBSSGOHAYFEVHT-AWEZNQCLSA-N -1 3 363.421 3.324 20 0 FGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CCCc3occc32)c(Cl)c1 ZINC000101570651 495079334 /nfs/dbraw/zinc/07/93/34/495079334.db2.gz SYBRXGWLRRSSOE-ZDUSSCGKSA-N -1 3 369.826 3.076 20 0 FGADHM COc1cccc(C(=O)Nc2ccccc2CN2CCSCC2)c1[O-] ZINC000128334811 495081232 /nfs/dbraw/zinc/08/12/32/495081232.db2.gz IPIGZNXQULCBPR-UHFFFAOYSA-N -1 3 358.463 3.202 20 0 FGADHM Cc1ccc(C(=O)N2CCN(C(=O)CC3CCCCC3)CC2)c([O-])c1C ZINC000101672719 495090084 /nfs/dbraw/zinc/09/00/84/495090084.db2.gz DMPGORBNORDAAW-UHFFFAOYSA-N -1 3 358.482 3.264 20 0 FGADHM O=S(=O)([N-]c1ccc(O[C@@H]2CCCC[C@H]2O)cc1)c1ccc(F)cc1 ZINC000134080194 495103371 /nfs/dbraw/zinc/10/33/71/495103371.db2.gz YOUCGOBLHLQBCY-QZTJIDSGSA-N -1 3 365.426 3.309 20 0 FGADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1cn(Cc2ccccc2)nn1 ZINC000134102440 495105940 /nfs/dbraw/zinc/10/59/40/495105940.db2.gz CFTGCUCZFBYPAM-UHFFFAOYSA-N -1 3 362.311 3.303 20 0 FGADHM COc1cc(C(=O)NC[C@H](C)c2ccc(F)cc2F)cc(OC)c1[O-] ZINC000123345907 495118254 /nfs/dbraw/zinc/11/82/54/495118254.db2.gz AFTDMLIQFSKKGU-JTQLQIEISA-N -1 3 351.349 3.221 20 0 FGADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1cn(Cc2cccs2)nn1 ZINC000134217829 495123422 /nfs/dbraw/zinc/12/34/22/495123422.db2.gz ADWVKRNDVVVDTJ-UHFFFAOYSA-N -1 3 368.340 3.365 20 0 FGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)c1cnc(C(C)(C)C)s1 ZINC000134280558 495129079 /nfs/dbraw/zinc/12/90/79/495129079.db2.gz QINQJRDQGKURRU-UHFFFAOYSA-N -1 3 351.428 3.420 20 0 FGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@@H](CO)CC(C)(C)C)s2)cs1 ZINC000128755141 495145910 /nfs/dbraw/zinc/14/59/10/495145910.db2.gz SXABRHPDIOSOGT-LLVKDONJSA-N -1 3 374.553 3.255 20 0 FGADHM Cc1ccc2oc(N3CCN(C(=O)c4cccc(C)c4[O-])CC3)nc2c1 ZINC000112264109 495163032 /nfs/dbraw/zinc/16/30/32/495163032.db2.gz LXSHILSABPSYHE-UHFFFAOYSA-N -1 3 351.406 3.113 20 0 FGADHM CNC(=O)c1sc2[n-]c(Cc3cccc(Cl)c3F)nc(=O)c2c1C ZINC000134528015 495163824 /nfs/dbraw/zinc/16/38/24/495163824.db2.gz VALSXRBHPKDIAH-UHFFFAOYSA-N -1 3 365.817 3.036 20 0 FGADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1c[nH]c2cccc(Br)c12 ZINC000134540495 495165587 /nfs/dbraw/zinc/16/55/87/495165587.db2.gz QZEXXVVJDLDFJL-UHFFFAOYSA-N -1 3 374.120 3.320 20 0 FGADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1c[nH]c2cccc(Br)c12 ZINC000134540495 495165589 /nfs/dbraw/zinc/16/55/89/495165589.db2.gz QZEXXVVJDLDFJL-UHFFFAOYSA-N -1 3 374.120 3.320 20 0 FGADHM CN(C)C(=O)Nc1ccc(Cl)c(C(=O)Nc2nnc(-c3ccco3)[n-]2)c1 ZINC000123671952 495169541 /nfs/dbraw/zinc/16/95/41/495169541.db2.gz NCPRUICAGACJCR-UHFFFAOYSA-N -1 3 374.788 3.064 20 0 FGADHM CN(C)C(=O)Nc1ccc(Cl)c(C(=O)Nc2nc(-c3ccco3)n[n-]2)c1 ZINC000123671952 495169542 /nfs/dbraw/zinc/16/95/42/495169542.db2.gz NCPRUICAGACJCR-UHFFFAOYSA-N -1 3 374.788 3.064 20 0 FGADHM CN(C)C(=O)Nc1ccc(Cl)c(C(=O)Nc2n[n-]c(-c3ccco3)n2)c1 ZINC000123671952 495169546 /nfs/dbraw/zinc/16/95/46/495169546.db2.gz NCPRUICAGACJCR-UHFFFAOYSA-N -1 3 374.788 3.064 20 0 FGADHM COc1ccc(F)c([N-]S(=O)(=O)c2ccc(NC(C)=O)c(Cl)c2)c1 ZINC000123671480 495169569 /nfs/dbraw/zinc/16/95/69/495169569.db2.gz ZUKSLYVXKBQYTA-UHFFFAOYSA-N -1 3 372.805 3.247 20 0 FGADHM CCOCCOc1ccc(Cl)cc1N[C@@H](C)C(=O)[N-]c1cc(C)no1 ZINC000102937367 495174859 /nfs/dbraw/zinc/17/48/59/495174859.db2.gz JFNVXUJJYIWHEL-LBPRGKRZSA-N -1 3 367.833 3.491 20 0 FGADHM CCC[C@@H](CCO)C[N-]S(=O)(=O)c1ccc(-c2csc(C)n2)s1 ZINC000123735991 495178355 /nfs/dbraw/zinc/17/83/55/495178355.db2.gz QBWYFGMPVVGLME-LBPRGKRZSA-N -1 3 374.553 3.257 20 0 FGADHM CCC[C@@H](CCO)C[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000123741091 495179421 /nfs/dbraw/zinc/17/94/21/495179421.db2.gz FPSXHEYZHIEZOK-JTQLQIEISA-N -1 3 373.824 3.436 20 0 FGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]CCc3cccnc3)s2)cs1 ZINC000119514085 495180963 /nfs/dbraw/zinc/18/09/63/495180963.db2.gz WFUNJJKWJXKPHQ-UHFFFAOYSA-N -1 3 365.505 3.096 20 0 FGADHM COc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCOC3(CCCC3)C2)c1 ZINC000134647673 495181034 /nfs/dbraw/zinc/18/10/34/495181034.db2.gz GNSFSDTVZCOTLM-GFCCVEGCSA-N -1 3 359.875 3.119 20 0 FGADHM C[C@@H]1CN(Cc2ccc(C(=O)Nc3cccc([O-])c3F)cc2)C[C@H](C)O1 ZINC000129076726 495192531 /nfs/dbraw/zinc/19/25/31/495192531.db2.gz WGHZEDJMRMFGRS-OKILXGFUSA-N -1 3 358.413 3.393 20 0 FGADHM Cc1nc(CC[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)cs1 ZINC000103153213 495199859 /nfs/dbraw/zinc/19/98/59/495199859.db2.gz UFSHDTFGXMJMCJ-UHFFFAOYSA-N -1 3 368.377 3.130 20 0 FGADHM COc1cccc(C(=O)N(Cc2ccnc(OC(C)C)c2)C2CC2)c1[O-] ZINC000123911663 495206263 /nfs/dbraw/zinc/20/62/63/495206263.db2.gz NYPOMFICIQGGIH-UHFFFAOYSA-N -1 3 356.422 3.388 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]Cc2cnc(C)s2)sc1Br ZINC000123980373 495216383 /nfs/dbraw/zinc/21/63/83/495216383.db2.gz FOARUMXPFKXSDD-UHFFFAOYSA-N -1 3 367.315 3.062 20 0 FGADHM CCc1cc(=O)[n-]c(CN(C)CCCc2cc(-c3ccccc3)n[nH]2)n1 ZINC000119713679 495224894 /nfs/dbraw/zinc/22/48/94/495224894.db2.gz SCUTUEZBJKMOSF-UHFFFAOYSA-N -1 3 351.454 3.199 20 0 FGADHM COc1ccccc1-c1nc(NC(=O)Cc2c[nH]c3cccc(C)c23)n[n-]1 ZINC000103431747 495231772 /nfs/dbraw/zinc/23/17/72/495231772.db2.gz BXFXTKRIAUUFJW-UHFFFAOYSA-N -1 3 361.405 3.451 20 0 FGADHM C[C@]1(c2cccc(NC(=O)C[C@H]3CCCC(C)(C)C3)c2)NC(=O)[N-]C1=O ZINC000119763863 495235880 /nfs/dbraw/zinc/23/58/80/495235880.db2.gz ZPJZTDZMGKGEBU-ZUOKHONESA-N -1 3 357.454 3.286 20 0 FGADHM CC(C)(C)Oc1cccc(CCC(=O)Nc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000129424258 495243174 /nfs/dbraw/zinc/24/31/74/495243174.db2.gz MMHDKJACRHYTGN-UHFFFAOYSA-N -1 3 366.425 3.010 20 0 FGADHM CC(C)(C)Oc1cccc(CCC(=O)Nc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000129424258 495243178 /nfs/dbraw/zinc/24/31/78/495243178.db2.gz MMHDKJACRHYTGN-UHFFFAOYSA-N -1 3 366.425 3.010 20 0 FGADHM COc1ccccc1SC[C@H](C)C[N-]S(=O)(=O)c1c(C)noc1C ZINC000103499125 495244434 /nfs/dbraw/zinc/24/44/34/495244434.db2.gz XQRZRHIEDTXANE-LLVKDONJSA-N -1 3 370.496 3.007 20 0 FGADHM O=C(c1ccccc1[O-])N1CCC[C@H]1C(=O)N1CC[C@@H](c2ccccc2)C1 ZINC000124184554 495247001 /nfs/dbraw/zinc/24/70/01/495247001.db2.gz FGFMHASNOSWDHJ-MJGOQNOKSA-N -1 3 364.445 3.013 20 0 FGADHM COc1ccnc(NC(=O)c2n[n-]c(-c3ccccc3)c2Br)c1 ZINC000129472082 495250573 /nfs/dbraw/zinc/25/05/73/495250573.db2.gz AFVAZZNCYKJZOZ-UHFFFAOYSA-N -1 3 373.210 3.495 20 0 FGADHM COc1ccnc(NC(=O)c2[n-]nc(-c3ccccc3)c2Br)c1 ZINC000129472082 495250577 /nfs/dbraw/zinc/25/05/77/495250577.db2.gz AFVAZZNCYKJZOZ-UHFFFAOYSA-N -1 3 373.210 3.495 20 0 FGADHM COc1cc(C(=O)NC2(c3ccc(F)cc3F)CCC2)cc(OC)c1[O-] ZINC000135198006 495261898 /nfs/dbraw/zinc/26/18/98/495261898.db2.gz HZIAOIBDFPOZEA-UHFFFAOYSA-N -1 3 363.360 3.497 20 0 FGADHM CCOC(=O)c1ccc(NC(=O)c2coc(Br)c2)c([O-])c1 ZINC000129590986 495267097 /nfs/dbraw/zinc/26/70/97/495267097.db2.gz PTRNBXPPKOUFJK-UHFFFAOYSA-N -1 3 354.156 3.177 20 0 FGADHM CCOC(=O)c1ccc(NC(=O)Cc2coc(-c3ccccc3)n2)c([O-])c1 ZINC000129604160 495269584 /nfs/dbraw/zinc/26/95/84/495269584.db2.gz ABVQZZYESJJHCZ-UHFFFAOYSA-N -1 3 366.373 3.405 20 0 FGADHM CNC(=O)c1sc2[n-]c(Cc3c[nH]c4cccc(C)c34)nc(=O)c2c1C ZINC000104193507 495271159 /nfs/dbraw/zinc/27/11/59/495271159.db2.gz NCHUSRUKLCRBAC-UHFFFAOYSA-N -1 3 366.446 3.033 20 0 FGADHM Cc1nc(C)c(CC(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)c(=O)[n-]1 ZINC000104220622 495271811 /nfs/dbraw/zinc/27/18/11/495271811.db2.gz SFDQOXGKOZHULC-UHFFFAOYSA-N -1 3 373.416 3.111 20 0 FGADHM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(F)c(F)c2F)ccc1F ZINC000135293853 495273864 /nfs/dbraw/zinc/27/38/64/495273864.db2.gz ISIGROLNHHBGOH-UHFFFAOYSA-N -1 3 362.304 3.002 20 0 FGADHM COc1cccc(C(C)(C)CNC(=O)c2cc(NC(C)=O)ccc2[O-])c1 ZINC000124501756 495298117 /nfs/dbraw/zinc/29/81/17/495298117.db2.gz ITEHXTLLBKBBIM-UHFFFAOYSA-N -1 3 356.422 3.067 20 0 FGADHM O=C(Nc1nc(-c2ccccc2F)cs1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000104861095 495311100 /nfs/dbraw/zinc/31/11/00/495311100.db2.gz WVZRBZVVKXPHMT-UHFFFAOYSA-N -1 3 367.361 3.085 20 0 FGADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1csc(-c2ccccc2)n1 ZINC000135566438 495312234 /nfs/dbraw/zinc/31/22/34/495312234.db2.gz JJXCCOQFSUETKI-UHFFFAOYSA-N -1 3 362.418 3.166 20 0 FGADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1csc(-c2ccccc2)n1 ZINC000135566438 495312241 /nfs/dbraw/zinc/31/22/41/495312241.db2.gz JJXCCOQFSUETKI-UHFFFAOYSA-N -1 3 362.418 3.166 20 0 FGADHM CCOC(=O)c1ccc(NC(=O)c2cnn(-c3ccccc3)c2)c([O-])c1 ZINC000124772452 495340709 /nfs/dbraw/zinc/34/07/09/495340709.db2.gz MTWAOULNDNLUDU-UHFFFAOYSA-N -1 3 351.362 3.007 20 0 FGADHM C[C@H](NC(=O)Cc1ccc([O-])cc1Cl)c1ccc(-n2cncn2)cc1 ZINC000136077537 495355101 /nfs/dbraw/zinc/35/51/01/495355101.db2.gz ITXXEJVLPLZQTC-LBPRGKRZSA-N -1 3 356.813 3.046 20 0 FGADHM COc1ccccc1N1CC[C@H](CNC(=O)Cc2ccc([O-])cc2Cl)C1 ZINC000136240625 495367141 /nfs/dbraw/zinc/36/71/41/495367141.db2.gz ZOIVHGHURPZQJW-CQSZACIVSA-N -1 3 374.868 3.239 20 0 FGADHM COc1cccc(N2CCC[C@@H](NC(=O)Cc3ccc([O-])cc3Cl)C2)c1 ZINC000136287022 495369182 /nfs/dbraw/zinc/36/91/82/495369182.db2.gz LLXFRSHGNOOHED-OAHLLOKOSA-N -1 3 374.868 3.382 20 0 FGADHM CC(C)c1cc(C[N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2)on1 ZINC000114499477 495386466 /nfs/dbraw/zinc/38/64/66/495386466.db2.gz REBSRIMIHQHAKV-UHFFFAOYSA-N -1 3 364.345 3.175 20 0 FGADHM CCc1cccc(C)c1NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000136696697 495395505 /nfs/dbraw/zinc/39/55/05/495395505.db2.gz FPEKBIMALXMHPQ-UHFFFAOYSA-N -1 3 367.449 3.253 20 0 FGADHM CC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)c1 ZINC000106007096 495401606 /nfs/dbraw/zinc/40/16/06/495401606.db2.gz VIJGTMBIRRGFIM-GFCCVEGCSA-N -1 3 360.435 3.078 20 0 FGADHM Cc1ccc(Br)c(C(=O)Nc2cccc(-c3nnn[n-]3)c2)c1 ZINC000125224699 495409411 /nfs/dbraw/zinc/40/94/11/495409411.db2.gz PYNBRAWZGYFWCB-UHFFFAOYSA-N -1 3 358.199 3.190 20 0 FGADHM Cc1ccc(Br)c(C(=O)Nc2cccc(-c3nn[n-]n3)c2)c1 ZINC000125224699 495409416 /nfs/dbraw/zinc/40/94/16/495409416.db2.gz PYNBRAWZGYFWCB-UHFFFAOYSA-N -1 3 358.199 3.190 20 0 FGADHM CC(C)(C(=O)Nc1ccc(Cc2nnn[n-]2)cc1)c1cccc(Cl)c1 ZINC000137005149 495417308 /nfs/dbraw/zinc/41/73/08/495417308.db2.gz KYGNXDVHCWCFQP-UHFFFAOYSA-N -1 3 355.829 3.360 20 0 FGADHM CC(C)(C(=O)Nc1ccc(Cc2nn[n-]n2)cc1)c1cccc(Cl)c1 ZINC000137005149 495417314 /nfs/dbraw/zinc/41/73/14/495417314.db2.gz KYGNXDVHCWCFQP-UHFFFAOYSA-N -1 3 355.829 3.360 20 0 FGADHM CC(C)(CNC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)C1CCCC1 ZINC000130703566 495432393 /nfs/dbraw/zinc/43/23/93/495432393.db2.gz IIJDNDWXCNZFAG-UHFFFAOYSA-N -1 3 356.463 3.143 20 0 FGADHM O=C(c1ccccc1[O-])N1CCN(c2ncc(-c3ccccc3)s2)CC1 ZINC000130788150 495446161 /nfs/dbraw/zinc/44/61/61/495446161.db2.gz SPZFLYYNSXPIGK-UHFFFAOYSA-N -1 3 365.458 3.478 20 0 FGADHM CCOc1cccc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])c1 ZINC000130830435 495452652 /nfs/dbraw/zinc/45/26/52/495452652.db2.gz XOGZRMFRILIABL-QGZVFWFLSA-N -1 3 354.406 3.034 20 0 FGADHM C[C@H](c1ncc(C(C)(C)C)o1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000131022117 495480856 /nfs/dbraw/zinc/48/08/56/495480856.db2.gz GSHKGTFDYBYZHW-CQSZACIVSA-N -1 3 357.454 3.197 20 0 FGADHM CCOc1ncccc1C(=O)[N-]c1nnc(Cc2ccc(F)cc2)s1 ZINC000106703637 495487016 /nfs/dbraw/zinc/48/70/16/495487016.db2.gz NDGYKGRGEOAYAY-UHFFFAOYSA-N -1 3 358.398 3.314 20 0 FGADHM O=C(NC[C@@H]1CCCO[C@H]1c1ccccc1)c1cc(=O)c2ccccc2[n-]1 ZINC000140296919 495492998 /nfs/dbraw/zinc/49/29/98/495492998.db2.gz IBZKIAGYSNNXBL-KKSFZXQISA-N -1 3 362.429 3.426 20 0 FGADHM CCc1cc(=O)[n-]c(CS[C@H](C)C(=O)N(C)Cc2ccccc2C)n1 ZINC000125752318 495493232 /nfs/dbraw/zinc/49/32/32/495493232.db2.gz CPXMGXCAJSUQJA-CQSZACIVSA-N -1 3 359.495 3.333 20 0 FGADHM CCOCc1ccccc1C[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000131110013 495493547 /nfs/dbraw/zinc/49/35/47/495493547.db2.gz REAWXSCGCRXBSZ-UHFFFAOYSA-N -1 3 357.834 3.494 20 0 FGADHM O=C(NCc1ccnc(Oc2ccc(F)cc2)c1)c1c([O-])cccc1O ZINC000125757029 495494030 /nfs/dbraw/zinc/49/40/30/495494030.db2.gz IKVHIDMGIIHOMO-UHFFFAOYSA-N -1 3 354.337 3.354 20 0 FGADHM O=S(=O)([N-][C@@H]1CCN(C2CCCC2)C1)c1cccc(Cl)c1Cl ZINC000106891666 495506196 /nfs/dbraw/zinc/50/61/96/495506196.db2.gz IBZJQTPPMZGXCK-LLVKDONJSA-N -1 3 363.310 3.289 20 0 FGADHM C[C@@H]1Oc2cc(F)ccc2[C@H]1[N-]S(=O)(=O)c1cnc2ccccc2c1 ZINC000571668908 505786629 /nfs/dbraw/zinc/78/66/29/505786629.db2.gz XUBGMRWJHWDAJG-VOJFVSQTSA-N -1 3 358.394 3.174 20 0 FGADHM CC(=O)NCc1ccc(S(=O)(=O)[N-][C@@H](C)c2cccc(C)c2C)s1 ZINC000115593315 495520483 /nfs/dbraw/zinc/52/04/83/495520483.db2.gz GWKOWIRCSDCKMX-ZDUSSCGKSA-N -1 3 366.508 3.041 20 0 FGADHM COCc1c(Br)cccc1NC(=O)c1ccc2n[n-]nc2c1 ZINC000170629832 495538195 /nfs/dbraw/zinc/53/81/95/495538195.db2.gz OUSUEMZSSVONSM-UHFFFAOYSA-N -1 3 361.199 3.119 20 0 FGADHM Cc1csc([C@H]([N-]S(=O)(=O)Cc2ccc(Cl)nc2)C2CC2)n1 ZINC000173464508 495541873 /nfs/dbraw/zinc/54/18/73/495541873.db2.gz JTQKLFILZJPRAO-CYBMUJFWSA-N -1 3 357.888 3.071 20 0 FGADHM O=S(=O)([N-]C[C@@H]1CCCO[C@@H]1c1ccccc1)c1cc(F)cc(F)c1 ZINC000146317372 495565130 /nfs/dbraw/zinc/56/51/30/495565130.db2.gz UKGAVWHIKCCQOO-KBXCAEBGSA-N -1 3 367.417 3.411 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NC[C@@H]2CCC[C@@H](C)C2)c1 ZINC000185434005 495575378 /nfs/dbraw/zinc/57/53/78/495575378.db2.gz TVVRAAGYECXICK-TZMCWYRMSA-N -1 3 371.437 3.497 20 0 FGADHM COc1cccc(-c2nsc([N-]C(=O)c3nc(C)c(C)nc3C)n2)c1 ZINC000185444874 495579120 /nfs/dbraw/zinc/57/91/20/495579120.db2.gz HGADOIVECDLZKI-UHFFFAOYSA-N -1 3 355.423 3.181 20 0 FGADHM COc1cc(C(=O)NCc2nc3ccccc3n2C2CC2)cc(OC)c1[O-] ZINC000185451857 495581765 /nfs/dbraw/zinc/58/17/65/495581765.db2.gz WSGGZPJLDDFAKZ-UHFFFAOYSA-N -1 3 367.405 3.024 20 0 FGADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2ncc(Cl)cc2Cl)CC1 ZINC000182518881 495595623 /nfs/dbraw/zinc/59/56/23/495595623.db2.gz DBIQFZFIPOZSEF-UHFFFAOYSA-N -1 3 366.248 3.052 20 0 FGADHM COc1ccc(-c2nnc(NC(=O)c3cc(-c4ccco4)n[n-]3)s2)cc1 ZINC000154374420 495597587 /nfs/dbraw/zinc/59/75/87/495597587.db2.gz MYMZXICCWBMXAU-UHFFFAOYSA-N -1 3 367.390 3.449 20 0 FGADHM COCCS(=O)(=O)[N-]c1ccc(Sc2nc(C)cs2)cc1C ZINC000154396761 495604454 /nfs/dbraw/zinc/60/44/54/495604454.db2.gz MLPWBIMPKDJXBP-UHFFFAOYSA-N -1 3 358.510 3.299 20 0 FGADHM CC1(NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)CCCC1 ZINC000150273654 495608927 /nfs/dbraw/zinc/60/89/27/495608927.db2.gz WZPQOTZWISJJQD-UHFFFAOYSA-N -1 3 365.430 3.017 20 0 FGADHM CC(C)COCCCNC(=O)NCc1ccc([O-])c(Br)c1 ZINC000158913678 495614234 /nfs/dbraw/zinc/61/42/34/495614234.db2.gz KANBEHLVZFVESJ-UHFFFAOYSA-N -1 3 359.264 3.017 20 0 FGADHM CSc1cnn(-c2ccccc2)c1[N-]C(=O)c1ccc(C(N)=O)s1 ZINC000150719106 495614632 /nfs/dbraw/zinc/61/46/32/495614632.db2.gz PBLDVBCCPQQASF-UHFFFAOYSA-N -1 3 358.448 3.007 20 0 FGADHM COCCS(=O)(=O)[N-]c1cccc(OCc2ccc(Cl)cc2)c1 ZINC000154448233 495619229 /nfs/dbraw/zinc/61/92/29/495619229.db2.gz YPAIRPMDYHVZRO-UHFFFAOYSA-N -1 3 355.843 3.307 20 0 FGADHM CC[C@H](C)[C@H](NC(=O)c1c[n-]c2ccccc2c1=O)C(=O)OC(C)(C)C ZINC000159007791 495636006 /nfs/dbraw/zinc/63/60/06/495636006.db2.gz AHTKYRHTYDRPMP-LRDDRELGSA-N -1 3 358.438 3.014 20 0 FGADHM CC[C@@H](C)NS(=O)(=O)Cc1cccc(NCc2cc([O-])cc(F)c2)c1 ZINC000185611581 495644453 /nfs/dbraw/zinc/64/44/53/495644453.db2.gz YLYTYXBPZBSVQI-CYBMUJFWSA-N -1 3 366.458 3.361 20 0 FGADHM CN(Cc1ccc(Br)c(F)c1)C(=O)c1cccc2[n-]nnc21 ZINC000571712710 505796339 /nfs/dbraw/zinc/79/63/39/505796339.db2.gz OXVDNJJSPIAPLC-UHFFFAOYSA-N -1 3 363.190 3.132 20 0 FGADHM CN(Cc1ccc(Br)c(F)c1)C(=O)c1cccc2nn[n-]c21 ZINC000571712710 505796342 /nfs/dbraw/zinc/79/63/42/505796342.db2.gz OXVDNJJSPIAPLC-UHFFFAOYSA-N -1 3 363.190 3.132 20 0 FGADHM CN(Cc1ccc(Br)c(F)c1)C(=O)c1cccc2n[n-]nc21 ZINC000571712710 505796346 /nfs/dbraw/zinc/79/63/46/505796346.db2.gz OXVDNJJSPIAPLC-UHFFFAOYSA-N -1 3 363.190 3.132 20 0 FGADHM O=C(CSc1ccccc1C(=O)Nc1cc(F)ccc1[O-])N1CCCC1 ZINC000179646156 495675235 /nfs/dbraw/zinc/67/52/35/495675235.db2.gz VHMIEVDPOTYQQB-UHFFFAOYSA-N -1 3 374.437 3.498 20 0 FGADHM CCCc1c(C(=O)Nc2nnc(-c3ccccn3)[n-]2)cnn1-c1ccccc1 ZINC000182718411 495675274 /nfs/dbraw/zinc/67/52/74/495675274.db2.gz MSROHVTWVHPAOZ-UHFFFAOYSA-N -1 3 373.420 3.257 20 0 FGADHM CCCc1c(C(=O)Nc2nc(-c3ccccn3)n[n-]2)cnn1-c1ccccc1 ZINC000182718411 495675278 /nfs/dbraw/zinc/67/52/78/495675278.db2.gz MSROHVTWVHPAOZ-UHFFFAOYSA-N -1 3 373.420 3.257 20 0 FGADHM CCCc1c(C(=O)Nc2n[n-]c(-c3ccccn3)n2)cnn1-c1ccccc1 ZINC000182718411 495675283 /nfs/dbraw/zinc/67/52/83/495675283.db2.gz MSROHVTWVHPAOZ-UHFFFAOYSA-N -1 3 373.420 3.257 20 0 FGADHM Cc1cccc(N(CCC(N)=O)C(=O)c2ccc3c(c2[O-])CCCC3)c1 ZINC000185708209 495690838 /nfs/dbraw/zinc/69/08/38/495690838.db2.gz GBJPTESODJJWHW-UHFFFAOYSA-N -1 3 352.434 3.102 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@H]3CCCOC3)cc2)cc1 ZINC000171024316 495694771 /nfs/dbraw/zinc/69/47/71/495694771.db2.gz HLLPZUHUKXSTMA-HNNXBMFYSA-N -1 3 374.462 3.161 20 0 FGADHM COc1cc(F)c([N-]C(=O)c2cc(COC(C)(C)C)on2)cc1OC ZINC000185718031 495695708 /nfs/dbraw/zinc/69/57/08/495695708.db2.gz SYOZAMAOBGKMMM-UHFFFAOYSA-N -1 3 352.362 3.398 20 0 FGADHM C[C@H](CC(=O)N(C)Cc1nc2ccsc2c(=O)[n-]1)Cc1cccc(F)c1 ZINC000173791806 495695904 /nfs/dbraw/zinc/69/59/04/495695904.db2.gz IQXVJDMGWBUHSY-LBPRGKRZSA-N -1 3 373.453 3.351 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)c3nc4ccccc4s3)[n-]c21 ZINC000159290996 495701967 /nfs/dbraw/zinc/70/19/67/495701967.db2.gz WWYBNHVCPRSINM-UHFFFAOYSA-N -1 3 352.375 3.212 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3nc4ccccc4s3)nc21 ZINC000159290996 495701972 /nfs/dbraw/zinc/70/19/72/495701972.db2.gz WWYBNHVCPRSINM-UHFFFAOYSA-N -1 3 352.375 3.212 20 0 FGADHM CCC(CC)c1cc(C[N-]S(=O)(=O)Cc2noc3ccccc32)on1 ZINC000185847529 495748264 /nfs/dbraw/zinc/74/82/64/495748264.db2.gz WPKBXSLOVRBVEL-UHFFFAOYSA-N -1 3 363.439 3.339 20 0 FGADHM CC[C@H](C)n1ncc([N-]S(=O)(=O)CCc2ccc3c(c2)CCO3)c1C ZINC000568888717 505801735 /nfs/dbraw/zinc/80/17/35/505801735.db2.gz BIZOJTYGSZKOEX-ZDUSSCGKSA-N -1 3 363.483 3.082 20 0 FGADHM COCc1csc(NC(=O)NCc2ccc([O-])c(Br)c2)n1 ZINC000151164287 495759164 /nfs/dbraw/zinc/75/91/64/495759164.db2.gz GGSJXOMJFUXAAG-UHFFFAOYSA-N -1 3 372.244 3.079 20 0 FGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N(CCC(C)C)C1CC1 ZINC000171188962 495761366 /nfs/dbraw/zinc/76/13/66/495761366.db2.gz CGGBUTNAFYEXNM-UHFFFAOYSA-N -1 3 368.481 3.110 20 0 FGADHM CC(C)(C)C(=O)Nc1nc(CC(=O)N2CCCc3cccc([O-])c32)cs1 ZINC000182931207 495761609 /nfs/dbraw/zinc/76/16/09/495761609.db2.gz CENXYKNSHNJANO-UHFFFAOYSA-N -1 3 373.478 3.355 20 0 FGADHM CCOc1ccc2c(c1)[C@H](NC(=O)NCc1ccc([O-])c(F)c1)CCO2 ZINC000185880901 495763440 /nfs/dbraw/zinc/76/34/40/495763440.db2.gz SVHKTKLFSSKOBN-MRXNPFEDSA-N -1 3 360.385 3.253 20 0 FGADHM Cc1ccc(SCC(=O)Nc2cc(C)ccc2[N-]S(C)(=O)=O)cc1 ZINC000173971351 495768741 /nfs/dbraw/zinc/76/87/41/495768741.db2.gz JEBAOCRIQNOLMZ-UHFFFAOYSA-N -1 3 364.492 3.406 20 0 FGADHM O=C(c1ccc(CSc2nc[nH]n2)cc1)N1CCCc2cccc([O-])c21 ZINC000182948847 495770501 /nfs/dbraw/zinc/77/05/01/495770501.db2.gz SZTXLNOTSDJWBY-UHFFFAOYSA-N -1 3 366.446 3.396 20 0 FGADHM CC1CCN(C(=O)c2ccc(NC([O-])=NOCc3cccnc3)cc2)CC1 ZINC000182949871 495772597 /nfs/dbraw/zinc/77/25/97/495772597.db2.gz PFUVYTJBGFYWNA-UHFFFAOYSA-N -1 3 368.437 3.207 20 0 FGADHM CC1CCN(C(=O)c2ccc(NC(=O)[N-]OCc3cccnc3)cc2)CC1 ZINC000182949871 495772603 /nfs/dbraw/zinc/77/26/03/495772603.db2.gz PFUVYTJBGFYWNA-UHFFFAOYSA-N -1 3 368.437 3.207 20 0 FGADHM Cc1cccc([C@@H](C)CNC(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)c1 ZINC000151240619 495781462 /nfs/dbraw/zinc/78/14/62/495781462.db2.gz YGNTWVGJGQJDPU-ZDUSSCGKSA-N -1 3 364.442 3.039 20 0 FGADHM CC[C@H](OC1CCCC1)C(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000151249496 495783268 /nfs/dbraw/zinc/78/32/68/495783268.db2.gz CBDAJHDDVJSSOJ-IBGZPJMESA-N -1 3 374.481 3.307 20 0 FGADHM O=C(NCCCNC(=O)c1c(Cl)cccc1Cl)c1cccc([O-])c1 ZINC000176794733 495787265 /nfs/dbraw/zinc/78/72/65/495787265.db2.gz ZLGYVRSOAWNHDO-UHFFFAOYSA-N -1 3 367.232 3.249 20 0 FGADHM CCOC(=O)c1cc(NC(=O)c2cccc(Br)c2Cl)n[n-]1 ZINC000182995884 495791253 /nfs/dbraw/zinc/79/12/53/495791253.db2.gz MCFVBMUCPRQRQS-UHFFFAOYSA-N -1 3 372.606 3.255 20 0 FGADHM CCOC(=O)c1cc(NC(=O)c2cccc(Br)c2Cl)[n-]n1 ZINC000182995884 495791256 /nfs/dbraw/zinc/79/12/56/495791256.db2.gz MCFVBMUCPRQRQS-UHFFFAOYSA-N -1 3 372.606 3.255 20 0 FGADHM Cc1cc(=O)[n-]c([C@H](C)Sc2nnc(-c3cccnc3)n2C2CC2)n1 ZINC000151289718 495795406 /nfs/dbraw/zinc/79/54/06/495795406.db2.gz RDHFPSOAEWBIIS-NSHDSACASA-N -1 3 354.439 3.332 20 0 FGADHM CC(C)[C@H](O)C(C)(C)C[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000154992578 495796471 /nfs/dbraw/zinc/79/64/71/495796471.db2.gz RNELDOMOIYYAHD-ZDUSSCGKSA-N -1 3 353.406 3.027 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1)C(=O)NC(C)(C)C ZINC000176844386 495808313 /nfs/dbraw/zinc/80/83/13/495808313.db2.gz JZYSRFPGYGRSDW-VIFPVBQESA-N -1 3 374.915 3.136 20 0 FGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H](CC(C)(C)C)C(F)(F)F ZINC000183071566 495823141 /nfs/dbraw/zinc/82/31/41/495823141.db2.gz XVWONRYZKGTEIT-JTQLQIEISA-N -1 3 361.408 3.473 20 0 FGADHM C[C@H]1[C@@H]([N-]S(=O)(=O)c2ccc(Cl)s2)CCN1Cc1ccccc1 ZINC000568910167 505806067 /nfs/dbraw/zinc/80/60/67/505806067.db2.gz ZWTAUKCNDOSVHV-JSGCOSHPSA-N -1 3 370.927 3.343 20 0 FGADHM CC[C@](C)([N-]S(=O)(=O)c1ccc(OC)c(Cl)c1)c1nccs1 ZINC000151479815 495852566 /nfs/dbraw/zinc/85/25/66/495852566.db2.gz RIILMYDBOCUWTB-AWEZNQCLSA-N -1 3 360.888 3.409 20 0 FGADHM CC(C)(C)CCCC(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000171434332 495871984 /nfs/dbraw/zinc/87/19/84/495871984.db2.gz MPQZFISVBOMHAR-UHFFFAOYSA-N -1 3 372.556 3.234 20 0 FGADHM Cc1noc(Cl)c1CCC(=O)NCc1ccc([O-])c(Br)c1 ZINC000151579736 495884599 /nfs/dbraw/zinc/88/45/99/495884599.db2.gz HGSKJQAOEXSUQT-UHFFFAOYSA-N -1 3 373.634 3.354 20 0 FGADHM Cc1cccc(S(=O)(=O)[N-]Cc2ncc(-c3ccccc3)cn2)c1F ZINC000186174568 495884783 /nfs/dbraw/zinc/88/47/83/495884783.db2.gz AFJXLBMYWXMNRJ-UHFFFAOYSA-N -1 3 357.410 3.070 20 0 FGADHM CCCc1nnc(NC(=O)NCc2ccc([O-])c(Br)c2)s1 ZINC000155235813 495885505 /nfs/dbraw/zinc/88/55/05/495885505.db2.gz CHIVBMXRUOTIBA-UHFFFAOYSA-N -1 3 371.260 3.280 20 0 FGADHM CC(=O)c1c(C)[nH]c(C(=O)NCc2ccc([O-])c(Br)c2)c1C ZINC000151617916 495896020 /nfs/dbraw/zinc/89/60/20/495896020.db2.gz LJNJCXVXSMSQNY-UHFFFAOYSA-N -1 3 365.227 3.232 20 0 FGADHM O=C([N-]c1n[nH]c(Cc2cccc(F)c2)n1)c1ncccc1C(F)(F)F ZINC000183272975 495910071 /nfs/dbraw/zinc/91/00/71/495910071.db2.gz DRYMLNBQGOKXNH-UHFFFAOYSA-N -1 3 365.290 3.201 20 0 FGADHM CCOC(=O)c1cc(NC(=O)[C@H](C)c2ccc(Br)cc2)n[n-]1 ZINC000183280277 495913368 /nfs/dbraw/zinc/91/33/68/495913368.db2.gz DHSIMJHSIRWWTE-SECBINFHSA-N -1 3 366.215 3.091 20 0 FGADHM CCOC(=O)c1cc(NC(=O)[C@H](C)c2ccc(Br)cc2)[n-]n1 ZINC000183280277 495913369 /nfs/dbraw/zinc/91/33/69/495913369.db2.gz DHSIMJHSIRWWTE-SECBINFHSA-N -1 3 366.215 3.091 20 0 FGADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)NC3CCCCC3)cs2)c1 ZINC000183289504 495917417 /nfs/dbraw/zinc/91/74/17/495917417.db2.gz AVPIMUSOILWDSL-UHFFFAOYSA-N -1 3 373.478 3.401 20 0 FGADHM CCc1cc(=O)c2cc(NC(=O)c3cc(C)cc(OC)c3[O-])ccc2[nH]1 ZINC000183306589 495923298 /nfs/dbraw/zinc/92/32/98/495923298.db2.gz BRFNFCHBNMMCDI-UHFFFAOYSA-N -1 3 352.390 3.365 20 0 FGADHM CCCc1nc(C[S@@](=O)Cc2nc(C(F)(F)F)cc(=O)[n-]2)cs1 ZINC000155345381 495927785 /nfs/dbraw/zinc/92/77/85/495927785.db2.gz BLGMNDYWZOMTRN-QHCPKHFHSA-N -1 3 365.402 3.059 20 0 FGADHM C[C@@H]1CCN(C(=O)C(=O)c2cnn(-c3ccccc3)c2)c2c([O-])cccc21 ZINC000186306901 495940407 /nfs/dbraw/zinc/94/04/07/495940407.db2.gz ZVARWQKNTZDVTG-CQSZACIVSA-N -1 3 361.401 3.301 20 0 FGADHM O=C(c1ccc(O)cc1[O-])N1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000186316771 495944552 /nfs/dbraw/zinc/94/45/52/495944552.db2.gz BSXWDXSKRNEERM-INIZCTEOSA-N -1 3 351.761 3.104 20 0 FGADHM COc1ccc([O-])c(C(=O)N2CCO[C@@H](c3ccc(F)cc3Cl)C2)c1 ZINC000186321357 495947316 /nfs/dbraw/zinc/94/73/16/495947316.db2.gz AASCPRUKRKZHCZ-QGZVFWFLSA-N -1 3 365.788 3.407 20 0 FGADHM Cc1c(C(=O)Nc2cc(-c3nccn3C)[n-]n2)cccc1-c1ccccn1 ZINC000151801889 495953254 /nfs/dbraw/zinc/95/32/54/495953254.db2.gz XDIKXUGOYCCBMT-UHFFFAOYSA-N -1 3 358.405 3.433 20 0 FGADHM Cc1c(C(=O)Nc2cc(-c3nccn3C)n[n-]2)cccc1-c1ccccn1 ZINC000151801889 495953261 /nfs/dbraw/zinc/95/32/61/495953261.db2.gz XDIKXUGOYCCBMT-UHFFFAOYSA-N -1 3 358.405 3.433 20 0 FGADHM Cc1cc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)nn1-c1ccccc1Cl ZINC000180363453 495966869 /nfs/dbraw/zinc/96/68/69/495966869.db2.gz MMAXYURAYWAEOQ-UHFFFAOYSA-N -1 3 370.722 3.223 20 0 FGADHM Cc1cc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)nn1-c1ccccc1Cl ZINC000180363453 495966875 /nfs/dbraw/zinc/96/68/75/495966875.db2.gz MMAXYURAYWAEOQ-UHFFFAOYSA-N -1 3 370.722 3.223 20 0 FGADHM COC1(C[N-]S(=O)(=O)c2ccc(-c3csc(C)n3)s2)CCC1 ZINC000180384970 495974736 /nfs/dbraw/zinc/97/47/36/495974736.db2.gz MPJWYNKLOJKLAT-UHFFFAOYSA-N -1 3 358.510 3.027 20 0 FGADHM Cc1cc(C)cc(C(=O)NCC(=O)N2CC[C@H](C)c3cccc([O-])c32)c1 ZINC000186392397 495980319 /nfs/dbraw/zinc/98/03/19/495980319.db2.gz 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Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)Cc1ccccc1C(F)(F)F ZINC000180568030 496047264 /nfs/dbraw/zinc/04/72/64/496047264.db2.gz UCQPLZXCAZOESR-VIFPVBQESA-N -1 3 362.373 3.220 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CC[C@@H](C)[C@@H](C)C2)c1 ZINC000183613224 496048789 /nfs/dbraw/zinc/04/87/89/496048789.db2.gz DXNCGSQSGHNRMY-NEPJUHHUSA-N -1 3 357.410 3.059 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3nnc(C(C)(C)C)s3)c[n-]c12 ZINC000155750910 496056059 /nfs/dbraw/zinc/05/60/59/496056059.db2.gz HWZOFXPQCSOZOB-UHFFFAOYSA-N -1 3 360.414 3.377 20 0 FGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)[C@H]2C[C@]23CCc2ccccc23)c1 ZINC000174747573 496088378 /nfs/dbraw/zinc/08/83/78/496088378.db2.gz KRNQJFXFEFZNTH-UZLBHIALSA-N -1 3 370.474 3.209 20 0 FGADHM CC(C)C[C@H](CO)N(C)C(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000186662134 496096163 /nfs/dbraw/zinc/09/61/63/496096163.db2.gz KEMNOBAWXWXPEE-QGZVFWFLSA-N -1 3 357.450 3.450 20 0 FGADHM O=C(Nc1cc(F)ccc1[O-])c1cn(-c2cccc(Cl)c2F)nn1 ZINC000180677549 496100855 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496737733 /nfs/dbraw/zinc/73/77/33/496737733.db2.gz AIFGVTOQRIGUKY-UHFFFAOYSA-N -1 3 354.288 3.185 20 0 FGADHM COc1cc(C(=O)[N-]c2nnc([C@@H]3CCCc4ccccc43)s2)nn1C ZINC000277330157 496737945 /nfs/dbraw/zinc/73/79/45/496737945.db2.gz ANBIVGDAOPNMNA-CYBMUJFWSA-N -1 3 369.450 3.001 20 0 FGADHM COc1ccccc1N1CC[C@@H](CNC(=O)c2cc([O-])ccc2Cl)C1 ZINC000277337223 496740785 /nfs/dbraw/zinc/74/07/85/496740785.db2.gz DHNZVOKKGYEDAC-ZDUSSCGKSA-N -1 3 360.841 3.311 20 0 FGADHM CCCC1CCC(N(C)C(=O)C(=O)[N-]c2sccc2C(=O)OC)CC1 ZINC000191377973 496742730 /nfs/dbraw/zinc/74/27/30/496742730.db2.gz JYHJQJWXBLRJKZ-UHFFFAOYSA-N -1 3 366.483 3.291 20 0 FGADHM COc1cc2c(cc1OC)CCN(Cc1ccc(C(=O)[O-])cc1F)CC2 ZINC000580897177 505863403 /nfs/dbraw/zinc/86/34/03/505863403.db2.gz FTNHULUTNLHQET-UHFFFAOYSA-N -1 3 359.397 3.142 20 0 FGADHM Cc1ccc(NC(=O)NC[C@@H]2CCCN(C(=O)c3ccccc3[O-])C2)cc1 ZINC000263884831 496754082 /nfs/dbraw/zinc/75/40/82/496754082.db2.gz CXCJVAWXVYEQCF-INIZCTEOSA-N -1 3 367.449 3.375 20 0 FGADHM 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O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCC(C2OCCO2)CC1 ZINC000266984717 497461495 /nfs/dbraw/zinc/46/14/95/497461495.db2.gz FFUCSCWOXZDSBE-UHFFFAOYSA-N -1 3 369.417 3.410 20 0 FGADHM Cc1csc([C@H]2COCCN2Cc2cc([O-])ccc2Br)n1 ZINC000190403378 497466572 /nfs/dbraw/zinc/46/65/72/497466572.db2.gz UBUPKVXFNNZQNW-CQSZACIVSA-N -1 3 369.284 3.493 20 0 FGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O ZINC000267019097 497470291 /nfs/dbraw/zinc/47/02/91/497470291.db2.gz PAWJUPWIOKZYJS-UHFFFAOYSA-N -1 3 370.331 3.160 20 0 FGADHM CC(C)(C[N-]S(=O)(=O)c1ccccn1)c1ccccc1Br ZINC000572184344 505909281 /nfs/dbraw/zinc/90/92/81/505909281.db2.gz WVYMOZHNIIIAES-UHFFFAOYSA-N -1 3 369.284 3.100 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)CCc3ncc(C(C)(C)C)o3)[n-]c21 ZINC000193794067 497484182 /nfs/dbraw/zinc/48/41/82/497484182.db2.gz CNCBFOMWUFMDIF-UHFFFAOYSA-N -1 3 370.409 3.206 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)CCc3ncc(C(C)(C)C)o3)nc21 ZINC000193794067 497484185 /nfs/dbraw/zinc/48/41/85/497484185.db2.gz CNCBFOMWUFMDIF-UHFFFAOYSA-N -1 3 370.409 3.206 20 0 FGADHM CC(C)(C)c1ccc(-c2nc([N-]C(=O)c3cn(C(C)(C)C)nn3)n[nH]2)cc1 ZINC000190475729 497495305 /nfs/dbraw/zinc/49/53/05/497495305.db2.gz AQQDOAJIVQQAGO-UHFFFAOYSA-N -1 3 367.457 3.368 20 0 FGADHM O=C([O-])[C@@]12CCC[C@H]1CN(Cc1nn(-c3ccccc3)c3c1CCC3)C2 ZINC000262050189 497500522 /nfs/dbraw/zinc/50/05/22/497500522.db2.gz AGUXABHSMINRSX-YCRPNKLZSA-N -1 3 351.450 3.048 20 0 FGADHM CN1CC[C@@H]([N-]S(=O)(=O)c2cc(F)ccc2Cl)[C@H]1c1ccccc1 ZINC000245688881 497502351 /nfs/dbraw/zinc/50/23/51/497502351.db2.gz WVJJYKNBOHORDI-NVXWUHKLSA-N -1 3 368.861 3.203 20 0 FGADHM COC(=O)c1nc([C@@H]2CCCN2C(=O)c2cccc(C)c2[O-])sc1C ZINC000279670414 497505241 /nfs/dbraw/zinc/50/52/41/497505241.db2.gz LSLWAKNPPOASLV-ZDUSSCGKSA-N -1 3 360.435 3.229 20 0 FGADHM O=C([O-])c1ccc(F)c(NC(=O)C2CCN(Cc3ccccc3)CC2)c1 ZINC000262098361 497508858 /nfs/dbraw/zinc/50/88/58/497508858.db2.gz GLZORRFJUYATAE-UHFFFAOYSA-N -1 3 356.397 3.375 20 0 FGADHM CCc1cccc(CC)c1NC(=O)[C@@H](C)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000262119883 497510607 /nfs/dbraw/zinc/51/06/07/497510607.db2.gz JNPWQLZHVWUKFA-DAESXHAQSA-N -1 3 358.482 3.325 20 0 FGADHM CCC1CCC(NC(=O)C2CCN(Cc3ccccc3)CC2)(C(=O)[O-])CC1 ZINC000262130443 497513179 /nfs/dbraw/zinc/51/31/79/497513179.db2.gz JSSWYXFPVWSSIK-UHFFFAOYSA-N -1 3 372.509 3.438 20 0 FGADHM C[C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000262189171 497522417 /nfs/dbraw/zinc/52/24/17/497522417.db2.gz QZFNEAJJXPBLMA-IVZHQMGZSA-N -1 3 358.482 3.498 20 0 FGADHM O=C(NCc1nnc(C2CC2)o1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000193999171 497544540 /nfs/dbraw/zinc/54/45/40/497544540.db2.gz SAENZWISZZWFSP-UHFFFAOYSA-N -1 3 351.362 3.375 20 0 FGADHM O=C([O-])c1cnc2cc3c(cc2c1N1CCC[C@H]1c1ccccn1)OCO3 ZINC000569344678 505913202 /nfs/dbraw/zinc/91/32/02/505913202.db2.gz VSNOROSKHYXGOD-INIZCTEOSA-N -1 3 363.373 3.398 20 0 FGADHM O=C([N-]OC[C@H]1CCOC1)Nc1ccc(Oc2ccc(Cl)nn2)cc1 ZINC000276418681 497569441 /nfs/dbraw/zinc/56/94/41/497569441.db2.gz QOOUHMZYIAAXLO-NSHDSACASA-N -1 3 364.789 3.012 20 0 FGADHM COc1cc(C(=O)N[C@H]2CCCOc3cc(F)ccc32)cc(OC)c1[O-] ZINC000272251282 497577805 /nfs/dbraw/zinc/57/78/05/497577805.db2.gz PCSVRTKJGVGNLN-AWEZNQCLSA-N -1 3 361.369 3.192 20 0 FGADHM COCCOc1ccc(F)cc1S(=O)(=O)[N-][C@@H](C)C1CCCCC1 ZINC000190711367 497580345 /nfs/dbraw/zinc/58/03/45/497580345.db2.gz DLEBMRYOELIVLD-ZDUSSCGKSA-N -1 3 359.463 3.098 20 0 FGADHM CCN(CC)C(=O)c1cccc(NC(=O)c2n[n-]nc2-c2ccccc2)c1 ZINC000194159546 497590708 /nfs/dbraw/zinc/59/07/08/497590708.db2.gz HUAPSWFZJSEQKK-UHFFFAOYSA-N -1 3 363.421 3.206 20 0 FGADHM Cc1cnn(-c2ccc(NC(=O)c3n[n-]nc3-c3ccccc3)cc2F)c1 ZINC000194193270 497599179 /nfs/dbraw/zinc/59/91/79/497599179.db2.gz KFSCLWWPHDZIAP-UHFFFAOYSA-N -1 3 362.368 3.357 20 0 FGADHM CCCCOc1ccc(C(=O)N2CCC(Cc3nccn3C)CC2)c([O-])c1 ZINC000190777951 497600785 /nfs/dbraw/zinc/60/07/85/497600785.db2.gz GHYLDOLMIMTULA-UHFFFAOYSA-N -1 3 371.481 3.400 20 0 FGADHM CCCC[C@H](NCc1cn(-c2ccc(Cl)c(Cl)c2)nn1)C(=O)[O-] ZINC000262694009 497602355 /nfs/dbraw/zinc/60/23/55/497602355.db2.gz HEYSLNKJXGBOQW-AWEZNQCLSA-N -1 3 357.241 3.307 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C[C@@H]3CCC(=O)[C@@H]3C)c2)n1 ZINC000279968507 497605836 /nfs/dbraw/zinc/60/58/36/497605836.db2.gz QAJYKTANLCJVTF-OLZOCXBDSA-N -1 3 353.422 3.355 20 0 FGADHM CCC[C@@]12CCCN1C(=O)N(Cc1ccc([O-])c(Br)c1)C2=O ZINC000279972941 497606452 /nfs/dbraw/zinc/60/64/52/497606452.db2.gz YCXWXLRCLLEVMN-INIZCTEOSA-N -1 3 367.243 3.252 20 0 FGADHM COc1cc(=NC(=O)N[C@@H]2CCC[C@@H](c3ccc(Cl)cc3)C2)[n-]n1C ZINC000575092950 505919020 /nfs/dbraw/zinc/91/90/20/505919020.db2.gz SZEAWKPHPSTPOO-UKRRQHHQSA-N -1 3 362.861 3.352 20 0 FGADHM CC(=O)N(CC(=O)[O-])[C@H]1CCCN(Cc2ccc(C(C)(C)C)cc2)CC1 ZINC000262878463 497645743 /nfs/dbraw/zinc/64/57/43/497645743.db2.gz FCBZTAOLSXCLSD-IBGZPJMESA-N -1 3 360.498 3.272 20 0 FGADHM C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NCc2ccc(C(=O)[O-])cc2)C1 ZINC000263131392 497713955 /nfs/dbraw/zinc/71/39/55/497713955.db2.gz YXHRCDVJIBMUKH-BEFAXECRSA-N -1 3 367.449 3.020 20 0 FGADHM CCOC[C@H](NC(=O)NCc1ccc([O-])c(Br)c1)C(C)C ZINC000191170698 497732692 /nfs/dbraw/zinc/73/26/92/497732692.db2.gz WHHRCOJPNYWKHE-ZDUSSCGKSA-N -1 3 359.264 3.015 20 0 FGADHM C[C@H](CN(C)CC(=O)N1CCC[C@@H]1c1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC000263355580 497765866 /nfs/dbraw/zinc/76/58/66/497765866.db2.gz QSTYQZMTEAIWLH-CRAIPNDOSA-N -1 3 360.498 3.300 20 0 FGADHM O=C([N-]c1cnns1)c1nc(-c2cccs2)n(-c2ccccc2)n1 ZINC000191297176 497772379 /nfs/dbraw/zinc/77/23/79/497772379.db2.gz NCVISNYHTVIDMO-UHFFFAOYSA-N -1 3 354.420 3.100 20 0 FGADHM O=C([O-])[C@H](Cn1ccc(C(F)(F)F)n1)NCc1csc2ccccc12 ZINC000277240478 497785610 /nfs/dbraw/zinc/78/56/10/497785610.db2.gz JEKPNBQGSCAWBR-LBPRGKRZSA-N -1 3 369.368 3.360 20 0 FGADHM COc1ccc(C(=O)Nc2cccc(CN(C)C[C@@H](C)C(=O)[O-])c2)cc1 ZINC000263483686 497789576 /nfs/dbraw/zinc/78/95/76/497789576.db2.gz GVRIXRSHBMQSJA-CQSZACIVSA-N -1 3 356.422 3.100 20 0 FGADHM O=C([O-])[C@@H](CN1CCCCC1)NCc1ccc(-c2c(F)cccc2F)o1 ZINC000277269616 497791734 /nfs/dbraw/zinc/79/17/34/497791734.db2.gz LGLFWHSTLABIRA-MRXNPFEDSA-N -1 3 364.392 3.254 20 0 FGADHM COc1ccc(CN2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)cc1Br ZINC000263523861 497795118 /nfs/dbraw/zinc/79/51/18/497795118.db2.gz SIVWGYHPUFLTGA-BLLLJJGKSA-N -1 3 354.244 3.144 20 0 FGADHM C[C@@H]([C@H](C)NC(=O)c1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1)C1CCCCC1 ZINC000246675117 497798148 /nfs/dbraw/zinc/79/81/48/497798148.db2.gz CWZVURBOPQFKAL-RXSFTSLZSA-N -1 3 371.481 3.076 20 0 FGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)CO[C@@H]1CCCc2ccccc21 ZINC000280669686 497850868 /nfs/dbraw/zinc/85/08/68/497850868.db2.gz GDDOIDNXNXCZHW-GOSISDBHSA-N -1 3 374.462 3.091 20 0 FGADHM CC[C@H](C)[C@H]([N-]S(=O)(=O)c1ccc2c(c1)C(=O)CCC2)C(F)(F)F ZINC000581219881 505936186 /nfs/dbraw/zinc/93/61/86/505936186.db2.gz CBXVCHVMPAKGKS-BONVTDFDSA-N -1 3 363.401 3.461 20 0 FGADHM C[C@H]([N-]S(=O)(=O)C[C@@H]1CCCCC1(F)F)c1c(F)cncc1F ZINC000296007108 497889433 /nfs/dbraw/zinc/88/94/33/497889433.db2.gz MKWQHPMHAGWWOJ-UWVGGRQHSA-N -1 3 354.369 3.166 20 0 FGADHM Cc1cc(S(=O)(=O)[N-][C@H]2COc3ccc(F)cc3C2)sc1Cl ZINC000575212455 505943729 /nfs/dbraw/zinc/94/37/29/505943729.db2.gz WXEVPFRRTJTIDZ-LLVKDONJSA-N -1 3 361.847 3.131 20 0 FGADHM CC1(C)CN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)[C@H]1[C@@H]1CCCO1 ZINC000329792358 497902838 /nfs/dbraw/zinc/90/28/38/497902838.db2.gz VCCWZVQUTNFNNT-KSSFIOAISA-N -1 3 353.422 3.471 20 0 FGADHM COCc1nc(Cc2noc(-c3cc(-c4ccc(C)o4)[n-]n3)n2)cs1 ZINC000288956027 497957471 /nfs/dbraw/zinc/95/74/71/497957471.db2.gz AQFLJYVPJAVXPJ-UHFFFAOYSA-N -1 3 357.395 3.222 20 0 FGADHM COCc1nc(Cc2noc(-c3cc(-c4ccc(C)o4)n[n-]3)n2)cs1 ZINC000288956027 497957480 /nfs/dbraw/zinc/95/74/80/497957480.db2.gz AQFLJYVPJAVXPJ-UHFFFAOYSA-N -1 3 357.395 3.222 20 0 FGADHM C[C@H]1Oc2ccccc2[C@@H]1[N-]S(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000569524893 505954936 /nfs/dbraw/zinc/95/49/36/505954936.db2.gz OHBAARRTJOWPDC-MEBBXXQBSA-N -1 3 373.352 3.386 20 0 FGADHM Cc1c(-c2ccncc2)[n-][nH]c1=NC(=O)[C@H](C)Oc1ccccc1Cl ZINC000364453504 497965443 /nfs/dbraw/zinc/96/54/43/497965443.db2.gz ASJUWPFXAUDMND-LBPRGKRZSA-N -1 3 356.813 3.261 20 0 FGADHM C[C@@]1(c2ccc(-c3noc(C(F)=C4CCCC4)n3)cc2)NC(=O)[N-]C1=O ZINC000349651517 497999083 /nfs/dbraw/zinc/99/90/83/497999083.db2.gz IMFDAHXNTRWNBT-SFHVURJKSA-N -1 3 356.357 3.046 20 0 FGADHM [O-]c1cc(CNc2ccn(CCc3ccncc3)n2)cc(C(F)(F)F)c1 ZINC000581339618 505964354 /nfs/dbraw/zinc/96/43/54/505964354.db2.gz GUFDZPCZFZTAKR-UHFFFAOYSA-N -1 3 362.355 3.279 20 0 FGADHM CC[C@@](C)([N-]S(=O)(=O)c1ccc2c(c1)CCCC2=O)c1nccs1 ZINC000292455945 498022657 /nfs/dbraw/zinc/02/26/57/498022657.db2.gz AYXXNYKOPCPQMT-QGZVFWFLSA-N -1 3 364.492 3.266 20 0 FGADHM C[C@@]1(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)CCO[C@H]1C1CC1 ZINC000575386616 505970472 /nfs/dbraw/zinc/97/04/72/505970472.db2.gz MDCUUNZTSCPIQW-STQMWFEESA-N -1 3 369.430 3.250 20 0 FGADHM O=c1[nH]cccc1[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000572433511 505968298 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CC(C)(O)CON=C([O-])Nc1nc2c(s1)C[C@H](c1ccccc1)CC2 ZINC000286902821 498547930 /nfs/dbraw/zinc/54/79/30/498547930.db2.gz ZFTGBHQKOMZUKY-CYBMUJFWSA-N -1 3 361.467 3.240 20 0 FGADHM CC(C)(O)CO[N-]C(=O)Nc1nc2c(s1)C[C@H](c1ccccc1)CC2 ZINC000286902821 498547937 /nfs/dbraw/zinc/54/79/37/498547937.db2.gz ZFTGBHQKOMZUKY-CYBMUJFWSA-N -1 3 361.467 3.240 20 0 FGADHM C[C@H]1CN(C(C)(C)CNC(=O)c2cc([O-])c3ccccc3c2)C[C@H](C)O1 ZINC000332059737 498548131 /nfs/dbraw/zinc/54/81/31/498548131.db2.gz XECITWUHWYKBSW-GJZGRUSLSA-N -1 3 356.466 3.163 20 0 FGADHM CC(C)C(=O)c1ccc([C@@H](C)C(=O)Nc2nnc(C(F)(F)F)[n-]2)cc1 ZINC000282573282 498564916 /nfs/dbraw/zinc/56/49/16/498564916.db2.gz AOWIEOPIYVPQOQ-SECBINFHSA-N -1 3 354.332 3.404 20 0 FGADHM CC(C)C(=O)c1ccc([C@@H](C)C(=O)Nc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000282573282 498564922 /nfs/dbraw/zinc/56/49/22/498564922.db2.gz AOWIEOPIYVPQOQ-SECBINFHSA-N -1 3 354.332 3.404 20 0 FGADHM Cc1ccc(-c2cnc(CNC(=O)c3cc(=O)c4ccccc4[n-]3)o2)cc1 ZINC000365628374 498565607 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/nfs/dbraw/zinc/13/05/42/506130542.db2.gz BQHFYCFAMJCOTQ-ZDUSSCGKSA-N -1 3 367.877 3.452 20 0 FGADHM Cc1cccc(C(=O)NC2CCN(C(=O)c3cccc([O-])c3)CC2)c1Cl ZINC000366810486 499080952 /nfs/dbraw/zinc/08/09/52/499080952.db2.gz XVTVYVMOGNNTKL-UHFFFAOYSA-N -1 3 372.852 3.389 20 0 FGADHM Cn1ccnc1-c1nnc([N-]C(=O)c2ccc(Br)s2)s1 ZINC000366833921 499089410 /nfs/dbraw/zinc/08/94/10/499089410.db2.gz ZLNOGXKEFKPWJJ-UHFFFAOYSA-N -1 3 370.257 3.015 20 0 FGADHM Cc1noc(C)c1CO[C@H]1CCN(C(=O)c2ccc3c(c2[O-])CCCC3)C1 ZINC000364026803 499090469 /nfs/dbraw/zinc/09/04/69/499090469.db2.gz HZIKWYIEJYSBSU-INIZCTEOSA-N -1 3 370.449 3.307 20 0 FGADHM CC(C)C[C@]1(C)CCCN1C(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000295752404 499094651 /nfs/dbraw/zinc/09/46/51/499094651.db2.gz IWKZXZHWAXXBFR-KRWDZBQOSA-N -1 3 356.463 3.238 20 0 FGADHM COc1cc(-c2noc(-c3ccc(NC(=O)C(C)(C)C)nc3)n2)ccc1[O-] ZINC000295762441 499096886 /nfs/dbraw/zinc/09/68/86/499096886.db2.gz AYENRMZQWGBRQB-UHFFFAOYSA-N -1 3 368.393 3.497 20 0 FGADHM Cc1ccc2[n-]cc(C(=O)N3CCC[C@@H](CC(C)(C)C(N)=O)C3)c(=O)c2c1 ZINC000295769552 499097801 /nfs/dbraw/zinc/09/78/01/499097801.db2.gz YNAGQPQBBIXVCW-AWEZNQCLSA-N -1 3 369.465 3.003 20 0 FGADHM Cc1ccc(-c2nc(CCNC(=O)c3cc(=O)c4ccccc4[n-]3)co2)cc1 ZINC000364052277 499100486 /nfs/dbraw/zinc/10/04/86/499100486.db2.gz PUURALOHPYWOJJ-UHFFFAOYSA-N -1 3 373.412 3.464 20 0 FGADHM CCc1cc(C(=O)NCC2CCN(Cc3nc(C)c(C)o3)CC2)ccc1[O-] ZINC000291926752 499104185 /nfs/dbraw/zinc/10/41/85/499104185.db2.gz MEJVUMOOPFIODZ-UHFFFAOYSA-N -1 3 371.481 3.201 20 0 FGADHM CC(=O)c1cccc(NC(=O)C2CCC(NC(=O)C3CCCC3)CC2)c1[O-] ZINC000579275765 506134333 /nfs/dbraw/zinc/13/43/33/506134333.db2.gz NQVZKARLAXZXNT-UHFFFAOYSA-N -1 3 372.465 3.399 20 0 FGADHM CCc1cc(C(=O)N[C@@H](CO)c2ccc(C(F)(F)F)cc2)ccc1[O-] ZINC000582098042 506132278 /nfs/dbraw/zinc/13/22/78/506132278.db2.gz WKPIBBSJWVJFLK-HNNXBMFYSA-N -1 3 353.340 3.437 20 0 FGADHM CN(C(=O)c1ccc2n[n-]nc2c1)[C@H](c1cccc(F)c1)c1ccccn1 ZINC000372554728 499145217 /nfs/dbraw/zinc/14/52/17/499145217.db2.gz WMDVLBCVQXSOHR-LJQANCHMSA-N -1 3 361.380 3.354 20 0 FGADHM Cc1c(-c2ccncc2)[n-][nH]c1=NC(=O)[C@@H](C)Cn1ccc2ccccc21 ZINC000367152749 499154856 /nfs/dbraw/zinc/15/48/56/499154856.db2.gz VBALMUPDIBLNEL-AWEZNQCLSA-N -1 3 359.433 3.432 20 0 FGADHM O=C(c1cccc([O-])c1)N1CCC(c2nccc(C(F)(F)F)n2)CC1 ZINC000372714669 499165152 /nfs/dbraw/zinc/16/51/52/499165152.db2.gz KTEVTGJYQFDRBL-UHFFFAOYSA-N -1 3 351.328 3.221 20 0 FGADHM CCCc1nc([C@@H]([N-]S(=O)(=O)CC2CCCC2)c2ccccc2)no1 ZINC000372780151 499174263 /nfs/dbraw/zinc/17/42/63/499174263.db2.gz IDSCVGNBTWLSSI-KRWDZBQOSA-N -1 3 363.483 3.221 20 0 FGADHM CCN(C(=O)CCc1c(C)nc(C)[n-]c1=O)[C@@H]1CCCc2cccnc21 ZINC000372795096 499176264 /nfs/dbraw/zinc/17/62/64/499176264.db2.gz YNPLQHJTIYAOEO-QGZVFWFLSA-N -1 3 354.454 3.053 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H](C)CNC(=O)OC(C)(C)C)nc2)n1 ZINC000372809967 499178115 /nfs/dbraw/zinc/17/81/15/499178115.db2.gz LOHYNCPYPVNBPH-LBPRGKRZSA-N -1 3 373.457 3.132 20 0 FGADHM Cc1cccc(C(=O)N2CCCC[C@H]2c2nnc(C3CCOCC3)o2)c1[O-] ZINC000372815973 499179428 /nfs/dbraw/zinc/17/94/28/499179428.db2.gz WUFUBNAPXCURLU-INIZCTEOSA-N -1 3 371.437 3.345 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3scnc3COC)c2)n1 ZINC000367352526 499186760 /nfs/dbraw/zinc/18/67/60/499186760.db2.gz FACROFCKNNPCMU-UHFFFAOYSA-N -1 3 370.434 3.267 20 0 FGADHM CCCCOc1ccc(C(=O)N2CC[C@H](c3nc(C4CC4)no3)C2)c([O-])c1 ZINC000367500140 499206182 /nfs/dbraw/zinc/20/61/82/499206182.db2.gz KAHBQKPTWOKSCC-AWEZNQCLSA-N -1 3 371.437 3.461 20 0 FGADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CC(Cc2ccc(F)c(F)c2)C1 ZINC000370295898 499206863 /nfs/dbraw/zinc/20/68/63/499206863.db2.gz ASFVOAVRSNVPFX-UHFFFAOYSA-N -1 3 354.356 3.121 20 0 FGADHM O=C(Nc1cccc([O-])c1F)[C@@H]1C[C@H]2CCCC[C@H]2N1c1ncccn1 ZINC000370378834 499214876 /nfs/dbraw/zinc/21/48/76/499214876.db2.gz JMGJLEUBAWNYPD-YUELXQCFSA-N -1 3 356.401 3.098 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N3CCC=C(c4ccco4)C3)c[n-]c12 ZINC000367892125 499242391 /nfs/dbraw/zinc/24/23/91/499242391.db2.gz NBMJGDMTEKTEHR-UHFFFAOYSA-N -1 3 352.365 3.498 20 0 FGADHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H](C)[C@H]([NH3+])c3ccccc3)c2)n1 ZINC000370798095 499255208 /nfs/dbraw/zinc/25/52/08/499255208.db2.gz IEYHWAPKQRAPCE-LIRRHRJNSA-N -1 3 362.433 3.432 20 0 FGADHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H](C)[C@H](N)c3ccccc3)c2)n1 ZINC000370798095 499255211 /nfs/dbraw/zinc/25/52/11/499255211.db2.gz IEYHWAPKQRAPCE-LIRRHRJNSA-N -1 3 362.433 3.432 20 0 FGADHM CCN(CC)[C@@H](C(=O)N=c1[nH][n-]c(-c2ccncc2)c1C)c1ccccc1 ZINC000368314523 499284490 /nfs/dbraw/zinc/28/44/90/499284490.db2.gz DFZARWAOYJMVCP-LJQANCHMSA-N -1 3 363.465 3.224 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCCC4(CCOCC4)C3)nc2)n1 ZINC000371076714 499286730 /nfs/dbraw/zinc/28/67/30/499286730.db2.gz SEBDPCQSMHXYLD-UHFFFAOYSA-N -1 3 354.454 3.204 20 0 FGADHM COc1cccc(C(=O)N2CCC[C@H](n3cnc4ccccc43)C2)c1[O-] ZINC000368366411 499289405 /nfs/dbraw/zinc/28/94/05/499289405.db2.gz CNHQPVTVMUHGKC-AWEZNQCLSA-N -1 3 351.406 3.228 20 0 FGADHM O=c1cc(CN[C@H]2c3ccccc3CC23CCOCC3)nc(C2CC2)[n-]1 ZINC000576362741 506140588 /nfs/dbraw/zinc/14/05/88/506140588.db2.gz LDBGCXXQQQIUPE-IBGZPJMESA-N -1 3 351.450 3.243 20 0 FGADHM CSc1ccc(C(=O)N2CCC(OC[C@@H]3CCCCO3)CC2)c([O-])c1 ZINC000368904573 499345241 /nfs/dbraw/zinc/34/52/41/499345241.db2.gz HFJWFCFOSKBNKP-HNNXBMFYSA-N -1 3 365.495 3.304 20 0 FGADHM O=C(/C=C/c1cncc([O-])c1)N[C@@H](c1cccnc1)c1ccc(F)c(F)c1 ZINC000371612186 499347228 /nfs/dbraw/zinc/34/72/28/499347228.db2.gz RLGDYOUIUCTGOY-SQZHUTIHSA-N -1 3 367.355 3.379 20 0 FGADHM O=c1nc(CN2CCC[C@H]2c2ncon2)[n-]c2scc(-c3ccco3)c21 ZINC000368996236 499354833 /nfs/dbraw/zinc/35/48/33/499354833.db2.gz RZFPBVWXUJWNPF-NSHDSACASA-N -1 3 369.406 3.377 20 0 FGADHM COC(=O)C[C@@H]1CN(C(=O)c2cc(C)cc(OC)c2[O-])c2ccccc21 ZINC000371786850 499365561 /nfs/dbraw/zinc/36/55/61/499365561.db2.gz QNHCBQYEMUESNB-CYBMUJFWSA-N -1 3 355.390 3.016 20 0 FGADHM COc1cc(C(=O)N2CCCC[C@H]2c2noc(C3CC3)n2)cc(OC)c1[O-] ZINC000371999943 499388429 /nfs/dbraw/zinc/38/84/29/499388429.db2.gz RSKDXQJPUHYGTH-ZDUSSCGKSA-N -1 3 373.409 3.037 20 0 FGADHM CC(C)C[C@H](C)S(=O)(=O)[N-][C@@H](c1noc(C2CC2)n1)c1ccccc1 ZINC000369448006 499404103 /nfs/dbraw/zinc/40/41/03/499404103.db2.gz RWEDRBAMTRNACG-XJKSGUPXSA-N -1 3 363.483 3.390 20 0 FGADHM O=C([O-])c1ccccc1OCCN1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000372210500 499409398 /nfs/dbraw/zinc/40/93/98/499409398.db2.gz LAZUWVYRWSJFHJ-QGZVFWFLSA-N -1 3 369.417 3.372 20 0 FGADHM O=C([O-])c1ccccc1OCCN1CCC[C@@H](n2cnc3ccccc32)C1 ZINC000373235893 499459182 /nfs/dbraw/zinc/45/91/82/499459182.db2.gz WTPUOEYNFQIWCK-MRXNPFEDSA-N -1 3 365.433 3.450 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2F)c1-c1ccncc1 ZINC000373417918 499468668 /nfs/dbraw/zinc/46/86/68/499468668.db2.gz OHDIJUVABCDHDL-HUUCEWRRSA-N -1 3 354.360 3.222 20 0 FGADHM COc1ccc(NC[C@H]2CCOc3ccccc32)cc1[N-]S(C)(=O)=O ZINC000378256418 499495189 /nfs/dbraw/zinc/49/51/89/499495189.db2.gz ZZGMDZKMVMUFRO-CYBMUJFWSA-N -1 3 362.451 3.045 20 0 FGADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC000375279277 499502444 /nfs/dbraw/zinc/50/24/44/499502444.db2.gz LKAHAWMJYZEEGJ-LJQANCHMSA-N -1 3 370.355 3.020 20 0 FGADHM C[C@@H]([N-]C(=O)C(F)(F)c1ccccc1F)c1nnc2n1CCCCC2 ZINC000378406918 499513095 /nfs/dbraw/zinc/51/30/95/499513095.db2.gz UFTWEBBQMLZPCT-LLVKDONJSA-N -1 3 352.360 3.113 20 0 FGADHM CCCCOc1ccc(C(=O)N2CCC(CN3CCCC3=O)CC2)c([O-])c1 ZINC000375468067 499522842 /nfs/dbraw/zinc/52/28/42/499522842.db2.gz KDNFCNHKPQMDOM-UHFFFAOYSA-N -1 3 374.481 3.046 20 0 FGADHM COc1cc2c(cc1OC)[C@@H](C)N(C(=O)c1csc(=O)[n-]1)C[C@H](C)C2 ZINC000375625681 499538804 /nfs/dbraw/zinc/53/88/04/499538804.db2.gz DRVCCMANFOLHNB-GHMZBOCLSA-N -1 3 362.451 3.262 20 0 FGADHM CCC[C@H](C[N-]S(=O)(=O)c1ccc(Br)cc1Cl)OC ZINC000378711528 499541379 /nfs/dbraw/zinc/54/13/79/499541379.db2.gz UEGHGRBTIHWEGA-SNVBAGLBSA-N -1 3 370.696 3.196 20 0 FGADHM O=C([O-])C1(CC(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)CCCC1 ZINC000382421367 499545746 /nfs/dbraw/zinc/54/57/46/499545746.db2.gz IXQTUYNGYDCXLL-GOSISDBHSA-N -1 3 358.482 3.050 20 0 FGADHM C[C@@H](CC(C)(C)O)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000385053264 499547959 /nfs/dbraw/zinc/54/79/59/499547959.db2.gz SYCQGEDRACKEFC-QMMMGPOBSA-N -1 3 359.797 3.187 20 0 FGADHM O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)c1cc(Cl)ccc1[O-] ZINC000391067462 499556695 /nfs/dbraw/zinc/55/66/95/499556695.db2.gz JWZSQRMHIVXPMU-QGZVFWFLSA-N -1 3 374.868 3.067 20 0 FGADHM CCC(CC)(CC(=O)NC[C@@]1(C)CCCN1Cc1ccccc1)C(=O)[O-] ZINC000397875725 499564906 /nfs/dbraw/zinc/56/49/06/499564906.db2.gz KAFYHGDEJFHEPJ-HXUWFJFHSA-N -1 3 360.498 3.438 20 0 FGADHM C[C@H](CCC1CC1)[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000398147707 499566567 /nfs/dbraw/zinc/56/65/67/499566567.db2.gz QZXUFNDESPCSCP-SECBINFHSA-N -1 3 350.253 3.445 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]C[C@@H](C)COCc2ccccc2)c(F)c1 ZINC000404948195 499570952 /nfs/dbraw/zinc/57/09/52/499570952.db2.gz TYYFJUFSCOQFEV-OAHLLOKOSA-N -1 3 351.443 3.265 20 0 FGADHM CC(C)C[C@H](C)S(=O)(=O)[N-][C@@H](c1nc(C(C)C)no1)C1CCOCC1 ZINC000376019057 499576626 /nfs/dbraw/zinc/57/66/26/499576626.db2.gz MIGFCAKTYGHJBH-DZGCQCFKSA-N -1 3 373.519 3.015 20 0 FGADHM CS[C@H]1CCCCN(C(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)C1 ZINC000408152819 499578179 /nfs/dbraw/zinc/57/81/79/499578179.db2.gz FEXKPKRBVABBLU-NSHDSACASA-N -1 3 352.406 3.164 20 0 FGADHM O=S(=O)(Cc1noc(-c2ccccc2Cl)n1)c1cccc([O-])c1 ZINC000376296228 499598421 /nfs/dbraw/zinc/59/84/21/499598421.db2.gz NFJZTGFCIPXKTR-UHFFFAOYSA-N -1 3 350.783 3.070 20 0 FGADHM O=C(Nc1ccc2c(c1)CCC(=O)N2CC(F)(F)F)c1cccc([O-])c1 ZINC000376398419 499605742 /nfs/dbraw/zinc/60/57/42/499605742.db2.gz MHNLJPYFCJEBJG-UHFFFAOYSA-N -1 3 364.323 3.486 20 0 FGADHM CN1CCC[C@H](CN=c2[n-]nc(-c3ccon3)s2)[C@@H]1c1cccs1 ZINC000376449318 499609511 /nfs/dbraw/zinc/60/95/11/499609511.db2.gz OYHNQXZKUFHTFU-BXUZGUMPSA-N -1 3 361.496 3.172 20 0 FGADHM Cc1cc(C)cc([C@@]2(F)CCN(C(=O)CCc3c(C)nc(C)[n-]c3=O)C2)c1 ZINC000376571200 499619449 /nfs/dbraw/zinc/61/94/49/499619449.db2.gz ZNMVKPFPOKABJY-OAQYLSRUSA-N -1 3 371.456 3.446 20 0 FGADHM C[C@H](C(=O)NCc1nnc(C(F)(F)F)[n-]1)c1ccc(C(F)(F)F)cc1 ZINC000409954201 499631822 /nfs/dbraw/zinc/63/18/22/499631822.db2.gz VNUIHKVPUKHZIN-ZETCQYMHSA-N -1 3 366.265 3.262 20 0 FGADHM C[C@H](C(=O)NCc1n[n-]c(C(F)(F)F)n1)c1ccc(C(F)(F)F)cc1 ZINC000409954201 499631823 /nfs/dbraw/zinc/63/18/23/499631823.db2.gz VNUIHKVPUKHZIN-ZETCQYMHSA-N -1 3 366.265 3.262 20 0 FGADHM C[C@H](C(=O)NCc1nc(C(F)(F)F)n[n-]1)c1ccc(C(F)(F)F)cc1 ZINC000409954201 499631825 /nfs/dbraw/zinc/63/18/25/499631825.db2.gz VNUIHKVPUKHZIN-ZETCQYMHSA-N -1 3 366.265 3.262 20 0 FGADHM CCOC(=O)c1cnc(C)c([N-]S(=O)(=O)Cc2cc(C)cc(C)c2)c1 ZINC000410342373 499655965 /nfs/dbraw/zinc/65/59/65/499655965.db2.gz IEYNHAHHKNQJRO-UHFFFAOYSA-N -1 3 362.451 3.125 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@H]2C[C@H]2c2c(F)cccc2F)c1-c1ccncc1 ZINC000377067707 499658689 /nfs/dbraw/zinc/65/86/89/499658689.db2.gz OIDNSCZBFAHSOT-OLZOCXBDSA-N -1 3 354.360 3.222 20 0 FGADHM Cc1nc(C)c(CCC(=O)N2Cc3ccccc3C3(CCC3)C2)c(=O)[n-]1 ZINC000377127668 499664519 /nfs/dbraw/zinc/66/45/19/499664519.db2.gz JOYWPXYTYYXZTM-UHFFFAOYSA-N -1 3 351.450 3.196 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(NCc3noc4c3CCCC4)nc2)n1 ZINC000377161773 499667096 /nfs/dbraw/zinc/66/70/96/499667096.db2.gz NGGQOBMUOLYIQG-UHFFFAOYSA-N -1 3 351.410 3.286 20 0 FGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)COc1ccc(Cl)c(F)c1 ZINC000410624166 499671166 /nfs/dbraw/zinc/67/11/66/499671166.db2.gz LAZUSRSHJUAWCG-UHFFFAOYSA-N -1 3 370.764 3.224 20 0 FGADHM COc1cc(CN2CCC(C(=O)c3ccc([O-])cc3)CC2)cc(OC)c1O ZINC000377612485 499710092 /nfs/dbraw/zinc/71/00/92/499710092.db2.gz AIJCPHFYGZVTFG-UHFFFAOYSA-N -1 3 371.433 3.210 20 0 FGADHM CC(=O)c1ccc(C(=O)N[C@@H](CC(=O)OC(C)C)c2ccccc2)cc1[O-] ZINC000411199476 499710173 /nfs/dbraw/zinc/71/01/73/499710173.db2.gz KTZQBTBRCCWKMX-SFHVURJKSA-N -1 3 369.417 3.408 20 0 FGADHM CCCC[C@@H]1CCC[C@@H]1NC(=O)C(=O)[N-]c1nccn1-c1ccccc1 ZINC000411218362 499712743 /nfs/dbraw/zinc/71/27/43/499712743.db2.gz IIBFICOPWQEXJD-WBVHZDCISA-N -1 3 354.454 3.286 20 0 FGADHM C[C@H]1CCC[C@H](CCNC(=O)C(=O)[N-]c2nccn2-c2ccccc2)C1 ZINC000411246521 499716889 /nfs/dbraw/zinc/71/68/89/499716889.db2.gz YGEMAVLQRDQUTA-JKSUJKDBSA-N -1 3 354.454 3.143 20 0 FGADHM O=C(c1cc([O-])ccc1Cl)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000377687015 499719948 /nfs/dbraw/zinc/71/99/48/499719948.db2.gz DWISTLIRJASAFF-LBPRGKRZSA-N -1 3 356.813 3.108 20 0 FGADHM Cc1csc([C@H]([N-]S(=O)(=O)C[C@H](C)COC2CCCC2)C2CC2)n1 ZINC000582206887 506158191 /nfs/dbraw/zinc/15/81/91/506158191.db2.gz AUKTTYCXLAXJQV-MLGOLLRUSA-N -1 3 372.556 3.417 20 0 FGADHM COC(C)(C)CS(=O)(=O)[N-]c1cccc(COCc2ccco2)c1 ZINC000414374208 499782512 /nfs/dbraw/zinc/78/25/12/499782512.db2.gz UDEBLVCEKFEUAN-UHFFFAOYSA-N -1 3 353.440 3.163 20 0 FGADHM COc1ccc([N-]S(=O)(=O)c2cc3c(cc2C)OCO3)cc1SC ZINC000414384062 499784424 /nfs/dbraw/zinc/78/44/24/499784424.db2.gz BGBAIYNGMWKHSV-UHFFFAOYSA-N -1 3 367.448 3.255 20 0 FGADHM Cc1ccsc1S(=O)(=O)[N-]c1ccc(OCCN(C)C)c(C)c1 ZINC000414387290 499784840 /nfs/dbraw/zinc/78/48/40/499784840.db2.gz ISYJISKYJJPUTA-UHFFFAOYSA-N -1 3 354.497 3.106 20 0 FGADHM Cc1cc([N-]S(=O)(=O)c2ccc(F)c(F)c2)ccc1OCCN(C)C ZINC000414388792 499785344 /nfs/dbraw/zinc/78/53/44/499785344.db2.gz MXGVJLZBUWIJGT-UHFFFAOYSA-N -1 3 370.421 3.014 20 0 FGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(CN(C)C)cc2F)c1 ZINC000414391270 499785616 /nfs/dbraw/zinc/78/56/16/499785616.db2.gz BZTIBVVEAFVHEF-UHFFFAOYSA-N -1 3 372.849 3.350 20 0 FGADHM CC(C)c1ccccc1S(=O)(=O)[N-]c1ccc(C(=O)N(C)C)cc1F ZINC000414395249 499786200 /nfs/dbraw/zinc/78/62/00/499786200.db2.gz JVDBSSMWOHGADQ-UHFFFAOYSA-N -1 3 364.442 3.452 20 0 FGADHM CCOc1ccc([N-]S(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)c(F)c1 ZINC000414394603 499786216 /nfs/dbraw/zinc/78/62/16/499786216.db2.gz GATUYEQJMSAFOY-SGTLLEGYSA-N -1 3 369.458 3.362 20 0 FGADHM O=C(NCCCNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1)c1cccc([O-])c1 ZINC000411818560 499794064 /nfs/dbraw/zinc/79/40/64/499794064.db2.gz ALUKCRHXMYVCEK-ZWKOTPCHSA-N -1 3 372.852 3.085 20 0 FGADHM COC(=O)c1ccc(COc2ccccc2CN[C@H](C)CC(=O)[O-])cc1 ZINC000414635749 499816149 /nfs/dbraw/zinc/81/61/49/499816149.db2.gz IECDRNWVXZXLMW-CQSZACIVSA-N -1 3 357.406 3.005 20 0 FGADHM CCN1CCN(c2ccc(NCc3ccc(C(=O)[O-])cc3)c(C)c2)CC1 ZINC000414641538 499816362 /nfs/dbraw/zinc/81/63/62/499816362.db2.gz UJEFQDGFVYJVFM-UHFFFAOYSA-N -1 3 353.466 3.447 20 0 FGADHM O=C([O-])CC[C@@H](Cc1ccccc1)NCc1nccn1Cc1ccccc1 ZINC000414652074 499817294 /nfs/dbraw/zinc/81/72/94/499817294.db2.gz GPJTYTDXIZSEGJ-FQEVSTJZSA-N -1 3 363.461 3.497 20 0 FGADHM CC(=O)c1ccc(C(=O)N2CC[C@@H](OCCCc3ccccc3)C2)cc1[O-] ZINC000412174656 499830682 /nfs/dbraw/zinc/83/06/82/499830682.db2.gz ILGVZZMIJIFISP-LJQANCHMSA-N -1 3 367.445 3.459 20 0 FGADHM CC(=O)c1ccc(C(=O)N2CC[C@H](OCCCc3ccccc3)C2)cc1[O-] ZINC000412174654 499830725 /nfs/dbraw/zinc/83/07/25/499830725.db2.gz ILGVZZMIJIFISP-IBGZPJMESA-N -1 3 367.445 3.459 20 0 FGADHM CC(=O)c1ccc(C(=O)N[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)cc1[O-] ZINC000412243797 499837654 /nfs/dbraw/zinc/83/76/54/499837654.db2.gz BSSKIIUTZBDVRJ-VQIMIIECSA-N -1 3 357.381 3.384 20 0 FGADHM Cc1ccn(C2CCN(C(=O)c3c[n-]c4c(Cl)cccc4c3=O)CC2)n1 ZINC000412316266 499844168 /nfs/dbraw/zinc/84/41/68/499844168.db2.gz YEWBDFXPDXURSM-UHFFFAOYSA-N -1 3 370.840 3.164 20 0 FGADHM CCOC(=O)C(C)(C)C1CCN(C(=O)c2ccc(C(C)=O)c([O-])c2)CC1 ZINC000412334991 499845769 /nfs/dbraw/zinc/84/57/69/499845769.db2.gz MQRUMLFXXPTHTQ-UHFFFAOYSA-N -1 3 361.438 3.036 20 0 FGADHM CC(=O)c1ccc(C(=O)N2CCn3c(C4CCCC4)nnc3[C@@H]2C)cc1[O-] ZINC000412336583 499845971 /nfs/dbraw/zinc/84/59/71/499845971.db2.gz KALNVIGUCHACQI-LBPRGKRZSA-N -1 3 368.437 3.061 20 0 FGADHM CCN=c1[n-]c(C(=O)N2CCC(Cc3cc(F)ccc3F)CC2)cs1 ZINC000412400715 499851910 /nfs/dbraw/zinc/85/19/10/499851910.db2.gz DPWBQWBBFXJMJH-UHFFFAOYSA-N -1 3 365.449 3.370 20 0 FGADHM COC(=O)c1c(C)nc(=O)[n-]c1SC1CC(OCc2ccccc2)C1 ZINC000412991039 499903047 /nfs/dbraw/zinc/90/30/47/499903047.db2.gz QUZBCYXGFHRJKI-UHFFFAOYSA-N -1 3 360.435 3.117 20 0 FGADHM COc1c(=O)[n-]c(=O)[nH]c1C(=O)Nc1ccc2c(c1)C(C)(C)CC2(C)C ZINC000416184470 499972637 /nfs/dbraw/zinc/97/26/37/499972637.db2.gz OKEQUMJQJHCMAX-UHFFFAOYSA-N -1 3 357.410 3.108 20 0 FGADHM CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1cccc(COCC2CC2)c1 ZINC000421149413 499972788 /nfs/dbraw/zinc/97/27/88/499972788.db2.gz FXPPDNVGUIRJGF-GOSISDBHSA-N -1 3 355.500 3.416 20 0 FGADHM CC[C@H](CS(=O)(=O)[N-]c1ccc(Oc2ccc(OC)cc2)nc1)OC ZINC000421157146 499975215 /nfs/dbraw/zinc/97/52/15/499975215.db2.gz PSBNFVNFNYIPQP-CQSZACIVSA-N -1 3 366.439 3.049 20 0 FGADHM CC[C@H](CS(=O)(=O)[N-]c1cc(F)c(F)cc1N1CCCCC1)OC ZINC000421167885 499980658 /nfs/dbraw/zinc/98/06/58/499980658.db2.gz WAEYGHBKTBUYBZ-GFCCVEGCSA-N -1 3 362.442 3.122 20 0 FGADHM CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1cc2c(cc1Cl)CCC2=O ZINC000421168577 499981595 /nfs/dbraw/zinc/98/15/95/499981595.db2.gz YMCAAFXQGGPSRW-LBPRGKRZSA-N -1 3 359.875 3.272 20 0 FGADHM O=c1cc(C[S@@](=O)Cc2csc(-c3ccoc3)n2)nc(C2CC2)[n-]1 ZINC000417138359 499985114 /nfs/dbraw/zinc/98/51/14/499985114.db2.gz BLGDKPOTGXFOBO-XMMPIXPASA-N -1 3 361.448 3.225 20 0 FGADHM O=C(CCCCC(=O)c1ccc(F)cc1)N=c1cc(-c2ccncc2)[n-][nH]1 ZINC000429111707 500004864 /nfs/dbraw/zinc/00/48/64/500004864.db2.gz HMUARZGDGQHOKL-UHFFFAOYSA-N -1 3 366.396 3.415 20 0 FGADHM COC(=O)CC[C@H](CC1CCCCC1)NC(=O)c1ccc([O-])c(OC)c1 ZINC000416276851 500005166 /nfs/dbraw/zinc/00/51/66/500005166.db2.gz NNNCFGNTSMIHQL-MRXNPFEDSA-N -1 3 363.454 3.423 20 0 FGADHM CC(C)c1nc(S(=O)(=O)[N-][C@H](c2ccco2)c2ccccc2)cn1C ZINC000416375508 500030645 /nfs/dbraw/zinc/03/06/45/500030645.db2.gz NWTVWSVDODQMMP-KRWDZBQOSA-N -1 3 359.451 3.204 20 0 FGADHM CCn1c(CNC[C@H](Cc2cccc(OC)c2)C(=O)[O-])nc2ccccc21 ZINC000576492653 506171601 /nfs/dbraw/zinc/17/16/01/506171601.db2.gz SECVDHGRPXNRCO-INIZCTEOSA-N -1 3 367.449 3.098 20 0 FGADHM COC(=O)c1c(Cl)cccc1S(=O)(=O)[N-][C@H](C)c1cc(C)oc1C ZINC000416382527 500032890 /nfs/dbraw/zinc/03/28/90/500032890.db2.gz CHLAYTKAXAIPTP-SNVBAGLBSA-N -1 3 371.842 3.376 20 0 FGADHM Cc1cccc(C(=O)N[C@@H](C)C(=O)N2CC[C@@H](C)c3cccc([O-])c32)c1 ZINC000413711789 500034645 /nfs/dbraw/zinc/03/46/45/500034645.db2.gz KMDHXZJZFDNJFA-CABCVRRESA-N -1 3 352.434 3.359 20 0 FGADHM CCOC(=O)C1(C(=O)Nc2ccc(Br)cc2[O-])CCCC1 ZINC000573326210 506172179 /nfs/dbraw/zinc/17/21/79/506172179.db2.gz AJVZXBWLOCXYRK-UHFFFAOYSA-N -1 3 356.216 3.217 20 0 FGADHM COC[C@@H]([N-]S(=O)(=O)CCc1ccc(Cl)cc1)c1ccc(C)o1 ZINC000425193244 500041385 /nfs/dbraw/zinc/04/13/85/500041385.db2.gz GIJYSSZCOORRRH-OAHLLOKOSA-N -1 3 357.859 3.091 20 0 FGADHM CC(C)(C[N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1F)C1=CCCCC1 ZINC000416467613 500048347 /nfs/dbraw/zinc/04/83/47/500048347.db2.gz VSLGFLFVJNHXSA-UHFFFAOYSA-N -1 3 368.430 3.065 20 0 FGADHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cccc(Br)c2Cl)CS1 ZINC000416582090 500066461 /nfs/dbraw/zinc/06/64/61/500066461.db2.gz GFJYXUKPTXRXIR-HTQZYQBOSA-N -1 3 370.721 3.275 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]C[C@@H]2C[C@H](C)O[C@H]2C)c(Cl)c1Cl ZINC000416596571 500069501 /nfs/dbraw/zinc/06/95/01/500069501.db2.gz FUPBDCXSGWQGMG-GUBZILKMSA-N -1 3 368.282 3.094 20 0 FGADHM COc1ccc(S(=O)(=O)[N-][C@H]2CS[C@@H](C)C2)c(Cl)c1Cl ZINC000416599082 500070156 /nfs/dbraw/zinc/07/01/56/500070156.db2.gz UFFKYOHFIOESKL-JGVFFNPUSA-N -1 3 356.296 3.174 20 0 FGADHM CC[C@@H]([N-]S(=O)(=O)Cc1c(Cl)cccc1Cl)[C@H](O)C(C)C ZINC000416609893 500072774 /nfs/dbraw/zinc/07/27/74/500072774.db2.gz AJPVDWZKQVDADI-ZIAGYGMSSA-N -1 3 354.299 3.208 20 0 FGADHM Cc1cccc(N2C[C@H](c3nc(-c4ccc5n[n-]nc5c4)no3)CC2=O)c1C ZINC000570454125 506171210 /nfs/dbraw/zinc/17/12/10/506171210.db2.gz MNDCNOQSIUGZRK-CQSZACIVSA-N -1 3 374.404 3.145 20 0 FGADHM CC(C)(C)[C@H](NCc1ccc(F)cc1I)C(=O)[O-] ZINC000417555537 500107286 /nfs/dbraw/zinc/10/72/86/500107286.db2.gz MJNCVZHSLPCCPY-LLVKDONJSA-N -1 3 365.186 3.019 20 0 FGADHM Cc1nn(C(C)C)cc1CN[C@H](Cc1c(F)cccc1Cl)C(=O)[O-] ZINC000417557169 500107857 /nfs/dbraw/zinc/10/78/57/500107857.db2.gz AYEUZKNXFYDIPX-MRXNPFEDSA-N -1 3 353.825 3.350 20 0 FGADHM O=C([O-])[C@@H](Cc1ccco1)NCc1cnc(CCc2ccccc2)s1 ZINC000417567145 500111474 /nfs/dbraw/zinc/11/14/74/500111474.db2.gz JBNLSDPCWADPHO-QGZVFWFLSA-N -1 3 356.447 3.307 20 0 FGADHM COCc1ccc(CN[C@]2(C(=O)[O-])CCCc3cc(OC)ccc32)cc1 ZINC000417577103 500114120 /nfs/dbraw/zinc/11/41/20/500114120.db2.gz IMSYMJHQRXWTLY-OAQYLSRUSA-N -1 3 355.434 3.248 20 0 FGADHM CCCN(C(=O)N=c1cc(OC(F)F)n(C)[n-]1)[C@H]1CCc2ccccc21 ZINC000429626132 500114399 /nfs/dbraw/zinc/11/43/99/500114399.db2.gz FMCJRPCCGPVCEB-AWEZNQCLSA-N -1 3 364.396 3.375 20 0 FGADHM COc1ccc2c(c1)CCC[C@]2(NCc1cn(C(C)C)nc1C)C(=O)[O-] ZINC000417577427 500114980 /nfs/dbraw/zinc/11/49/80/500114980.db2.gz JMWJKYWLWNFOGS-HXUWFJFHSA-N -1 3 357.454 3.187 20 0 FGADHM C[C@@H]1CN(C(=O)N=c2cc(OC(F)F)n(C)[n-]2)CC[C@@H]1c1ccccc1 ZINC000429639074 500117056 /nfs/dbraw/zinc/11/70/56/500117056.db2.gz SOJCPLPGCMCFHW-OCCSQVGLSA-N -1 3 364.396 3.101 20 0 FGADHM Cn1[n-]c(=NC(=O)N2CCC[C@]2(C)Cc2ccccc2)cc1OC(F)F ZINC000429658868 500120152 /nfs/dbraw/zinc/12/01/52/500120152.db2.gz JPWHXOSSIGOODY-GOSISDBHSA-N -1 3 364.396 3.073 20 0 FGADHM COc1cc(OC)c(OC)cc1CN[C@@H](CCC(=O)[O-])c1ccccc1 ZINC000417604886 500122585 /nfs/dbraw/zinc/12/25/85/500122585.db2.gz WCAUMMYEQMJNKN-INIZCTEOSA-N -1 3 359.422 3.408 20 0 FGADHM CC(C)=CCSC[C@@H](NCc1cc(Cl)c2c(c1)OCCO2)C(=O)[O-] ZINC000417603718 500123014 /nfs/dbraw/zinc/12/30/14/500123014.db2.gz ACBAFMVTSXAKPK-CQSZACIVSA-N -1 3 371.886 3.353 20 0 FGADHM COc1cccc(OC)c1CN[C@@H](CCSc1ccccc1)C(=O)[O-] ZINC000417611022 500124237 /nfs/dbraw/zinc/12/42/37/500124237.db2.gz AEWINSZPGANKGS-INIZCTEOSA-N -1 3 361.463 3.429 20 0 FGADHM CC(C)(C)c1ncc(CN[C@@H](CCSc2ccccc2)C(=O)[O-])cn1 ZINC000417612498 500125141 /nfs/dbraw/zinc/12/51/41/500125141.db2.gz BTQSVNKLHAKSFM-INIZCTEOSA-N -1 3 359.495 3.499 20 0 FGADHM COCCOCc1ccc(CN[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc1 ZINC000417621623 500127816 /nfs/dbraw/zinc/12/78/16/500127816.db2.gz HLPPYOOBFVQLPT-WOJBJXKFSA-N -1 3 355.434 3.252 20 0 FGADHM COC[C@@H](NCc1ccc(-c2ccccc2Br)s1)C(=O)[O-] ZINC000417637962 500132766 /nfs/dbraw/zinc/13/27/66/500132766.db2.gz ZSMYSZUPBOFRRG-CYBMUJFWSA-N -1 3 370.268 3.367 20 0 FGADHM CCc1nc(CNC[C@H](Cc2cc(F)c(F)c(F)c2)C(=O)[O-])cs1 ZINC000417639851 500133517 /nfs/dbraw/zinc/13/35/17/500133517.db2.gz USVWRMZWYREGAR-JTQLQIEISA-N -1 3 358.385 3.156 20 0 FGADHM C[C@@H](CC(C)(C)NCc1cn(-c2ccc(F)c(Cl)c2)nn1)C(=O)[O-] ZINC000417640301 500134184 /nfs/dbraw/zinc/13/41/84/500134184.db2.gz XIKIVTNXIBZTQS-JTQLQIEISA-N -1 3 354.813 3.039 20 0 FGADHM COc1cc2c(c(CN[C@@H](Cc3ccc(C)c(C)c3)C(=O)[O-])c1)O[C@@H](C)C2 ZINC000417645594 500136641 /nfs/dbraw/zinc/13/66/41/500136641.db2.gz BMOVBSDRWGFUEI-YWZLYKJASA-N -1 3 369.461 3.421 20 0 FGADHM COc1cccc(C[C@@H](CNCc2cc(F)c(F)c(F)c2)C(=O)[O-])c1 ZINC000417648285 500137470 /nfs/dbraw/zinc/13/74/70/500137470.db2.gz JGIQWRIVNVIUHZ-ZDUSSCGKSA-N -1 3 353.340 3.146 20 0 FGADHM Cc1cc(Br)ccc1CN[C@@H](CC(=O)OC(C)(C)C)C(=O)[O-] ZINC000417669251 500143502 /nfs/dbraw/zinc/14/35/02/500143502.db2.gz VUQZTBSOLGXRAA-ZDUSSCGKSA-N -1 3 372.259 3.032 20 0 FGADHM COc1cc(C[NH2+][C@@H]2CCCC[C@@H]2CC(=O)[O-])cc(Br)c1[O-] ZINC000417668132 500143514 /nfs/dbraw/zinc/14/35/14/500143514.db2.gz JJDLXPOCEIKODB-DGCLKSJQSA-N -1 3 372.259 3.286 20 0 FGADHM O=C([O-])C[C@@H]1CCCC[C@@H]1NCc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000417674468 500146279 /nfs/dbraw/zinc/14/62/79/500146279.db2.gz ZINDYCTVYYBLLY-ZBEGNZNMSA-N -1 3 366.824 3.183 20 0 FGADHM O=C([O-])[C@@]1(NCc2cnc([C@@H]3CCCO3)s2)CCc2ccccc2C1 ZINC000582290453 506178573 /nfs/dbraw/zinc/17/85/73/506178573.db2.gz RVUIZPGDQSMULT-QFBILLFUSA-N -1 3 358.463 3.097 20 0 FGADHM CSC[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000429819449 500150352 /nfs/dbraw/zinc/15/03/52/500150352.db2.gz URDKQNIAMWOMMP-ZETCQYMHSA-N -1 3 358.710 3.132 20 0 FGADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Br)[C@H]1CCC[C@@H](F)C1 ZINC000425626966 500163677 /nfs/dbraw/zinc/16/36/77/500163677.db2.gz USXNGMIQFXFIOI-JGVFFNPUSA-N -1 3 372.160 3.097 20 0 FGADHM C[C@@H](CN1CCCCC1)[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000429906001 500164737 /nfs/dbraw/zinc/16/47/37/500164737.db2.gz GKLKWNRZWACVQJ-NSHDSACASA-N -1 3 351.299 3.146 20 0 FGADHM C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)CN1C(=O)Cc1ccc([O-])c(F)c1 ZINC000421920972 500176203 /nfs/dbraw/zinc/17/62/03/500176203.db2.gz KLTLCZPKRVUYFG-GXTWGEPZSA-N -1 3 351.418 3.043 20 0 FGADHM O=c1cc(CNc2cc(Cl)ccc2N2CCOCC2)nc(C2CC2)[n-]1 ZINC000417002863 500181878 /nfs/dbraw/zinc/18/18/78/500181878.db2.gz NZICSWKOVNDXIT-UHFFFAOYSA-N -1 3 360.845 3.162 20 0 FGADHM COC(=O)c1ccc(CNC(=O)CCCc2ccc([O-])c(F)c2)s1 ZINC000422029548 500201651 /nfs/dbraw/zinc/20/16/51/500201651.db2.gz VDANTZKJPXVARQ-UHFFFAOYSA-N -1 3 351.399 3.019 20 0 FGADHM CC[C@H](C(=O)NC[C@H](Cc1ccc([O-])c(F)c1)C(=O)OC)c1ccccc1 ZINC000422052162 500206053 /nfs/dbraw/zinc/20/60/53/500206053.db2.gz ZTLMLDGZYNVLHV-IRXDYDNUSA-N -1 3 373.424 3.173 20 0 FGADHM 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/nfs/dbraw/zinc/30/81/92/500308192.db2.gz CCYQSVCCAAMGKA-HNNXBMFYSA-N -1 3 363.841 3.390 20 0 FGADHM COc1cc(F)c([N-]S(=O)(=O)c2cnc3ccccc3c2)cc1OC ZINC000430977854 500316764 /nfs/dbraw/zinc/31/67/64/500316764.db2.gz HHYSJBQWMIVHIR-UHFFFAOYSA-N -1 3 362.382 3.192 20 0 FGADHM COc1ccc([C@@H](NCc2ccc(OC(F)F)cc2)C(=O)[O-])cc1F ZINC000426776192 500319056 /nfs/dbraw/zinc/31/90/56/500319056.db2.gz FOPDXBMMEFWWSV-OAHLLOKOSA-N -1 3 355.312 3.351 20 0 FGADHM COc1cccc([C@H](CC(=O)[O-])NCc2cnc(-c3ccccc3)[nH]2)c1 ZINC000426786870 500320531 /nfs/dbraw/zinc/32/05/31/500320531.db2.gz ZEEBBJOJZFNMRG-SFHVURJKSA-N -1 3 351.406 3.391 20 0 FGADHM C[C@@H]1C[C@H](N=c2[n-]c(C(F)(F)F)c(Br)s2)CCN1C ZINC000418883597 500328417 /nfs/dbraw/zinc/32/84/17/500328417.db2.gz VFZHAXOZXSWDNA-RNFRBKRXSA-N -1 3 358.227 3.241 20 0 FGADHM CCOC(=O)c1ccc(NC(=O)[C@H]2CCCN2c2ccccc2)c([O-])c1 ZINC000426988965 500341981 /nfs/dbraw/zinc/34/19/81/500341981.db2.gz FZPURKAPLZVKPR-QGZVFWFLSA-N -1 3 354.406 3.176 20 0 FGADHM 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/nfs/dbraw/zinc/81/67/12/500816712.db2.gz PLMBIYPXRKLKNW-UHFFFAOYSA-N -1 3 367.380 3.248 20 0 FGADHM COc1cc(C)cc(-c2nc(-c3cccc(N4CCC4=O)c3)no2)c1[O-] ZINC000438816837 500822583 /nfs/dbraw/zinc/82/25/83/500822583.db2.gz CUTIYWXVKQNVAE-UHFFFAOYSA-N -1 3 351.362 3.163 20 0 FGADHM CCCCCc1nnc([N-]C(=O)c2cn(CCc3ccccc3)nn2)s1 ZINC000448759990 500826255 /nfs/dbraw/zinc/82/62/55/500826255.db2.gz KVBUYBSPIGADAG-UHFFFAOYSA-N -1 3 370.482 3.357 20 0 FGADHM C[C@H]1CC[C@H](C)N1C(=O)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O ZINC000444293315 500830594 /nfs/dbraw/zinc/83/05/94/500830594.db2.gz LMTNYHHFHJGECY-UWVGGRQHSA-N -1 3 354.328 3.440 20 0 FGADHM C[C@@H]1CCN(C(=O)c2c[n-]c3ccc(Br)cc3c2=O)C[C@@H]1C ZINC000444352298 500837862 /nfs/dbraw/zinc/83/78/62/500837862.db2.gz NSYVAAFYAHQAJH-MNOVXSKESA-N -1 3 363.255 3.409 20 0 FGADHM C[C@@H](NC(=O)Cc1ccc([O-])c(F)c1)c1cccc(N2CCCC2=O)c1 ZINC000448806215 500839739 /nfs/dbraw/zinc/83/97/39/500839739.db2.gz RQNLQBNZNVIFQD-CYBMUJFWSA-N -1 3 356.397 3.078 20 0 FGADHM O=C(Cc1ccc([O-])c(F)c1)Nc1cccc(CN2CCSCC2)c1 ZINC000448829065 500846361 /nfs/dbraw/zinc/84/63/61/500846361.db2.gz UNAJYXMZOHRHEM-UHFFFAOYSA-N -1 3 360.454 3.261 20 0 FGADHM O=C(NC[C@@]1(O)CCC[C@@H](C(F)(F)F)C1)c1ccc2c(c1[O-])CCCC2 ZINC000444489929 500853609 /nfs/dbraw/zinc/85/36/09/500853609.db2.gz KBEKXAWVCROEMD-FZKQIMNGSA-N -1 3 371.399 3.484 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]Cc2noc3ccccc23)c(Cl)cc1F ZINC000439186545 500868171 /nfs/dbraw/zinc/86/81/71/500868171.db2.gz HCAMWSFIAIZWKX-UHFFFAOYSA-N -1 3 354.790 3.407 20 0 FGADHM CCN(CC)C(=O)[C@@H]1CCCN1C(=O)CCc1ccc2ccccc2c1[O-] ZINC000448951040 500878508 /nfs/dbraw/zinc/87/85/08/500878508.db2.gz ORKDHRQRKIOIFR-IBGZPJMESA-N -1 3 368.477 3.337 20 0 FGADHM C[C@@H](NC(=O)CCc1ccc2ccccc2c1[O-])C(=O)N1CCCC[C@@H]1C ZINC000448983366 500886398 /nfs/dbraw/zinc/88/63/98/500886398.db2.gz ZWGZJJLRWDLKFW-JKSUJKDBSA-N -1 3 368.477 3.384 20 0 FGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)c2cccc(C)c2C)cc1F ZINC000445065068 500940142 /nfs/dbraw/zinc/94/01/42/500940142.db2.gz LIPNUCIIAWOBBJ-CYBMUJFWSA-N -1 3 365.426 3.269 20 0 FGADHM C[C@H](NC(=O)Cc1noc(Cc2ccc([O-])cc2Cl)n1)c1ccccc1 ZINC000445283137 500965635 /nfs/dbraw/zinc/96/56/35/500965635.db2.gz OFWZAQALWCTOHR-LBPRGKRZSA-N -1 3 371.824 3.439 20 0 FGADHM O=C(N[C@@H]1C[C@H]2OCCC[C@H]12)c1cc(CCc2ccccc2)ccc1[O-] ZINC000440024007 500967680 /nfs/dbraw/zinc/96/76/80/500967680.db2.gz SCSYUZBSTNPQFT-YFVAEKQCSA-N -1 3 351.446 3.475 20 0 FGADHM O=S(=O)([N-]CCN1CCCCCC1)c1c(Cl)cc(F)cc1Cl ZINC000435422592 500972153 /nfs/dbraw/zinc/97/21/53/500972153.db2.gz MPDLXQXHGZIEQB-UHFFFAOYSA-N -1 3 369.289 3.287 20 0 FGADHM CCCCN(C)CC[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000435433639 500975368 /nfs/dbraw/zinc/97/53/68/500975368.db2.gz OPFIXSRZPOZRDG-UHFFFAOYSA-N -1 3 357.278 3.143 20 0 FGADHM CCOc1cccc([C@@H]2C[C@H]2[N-]S(=O)(=O)c2cc(F)cc(F)c2)c1 ZINC000435436565 500976813 /nfs/dbraw/zinc/97/68/13/500976813.db2.gz GBMVEFKTXMNKAT-DLBZAZTESA-N -1 3 353.390 3.198 20 0 FGADHM O=S(=O)([N-][C@@H]1CCN2CCCC[C@@H]12)c1c(Cl)cc(F)cc1Cl ZINC000435438043 500977542 /nfs/dbraw/zinc/97/75/42/500977542.db2.gz MUISLLSCQRMPKF-OLZOCXBDSA-N -1 3 367.273 3.038 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1)c1nc(-c2ccoc2)no1 ZINC000445457804 500989366 /nfs/dbraw/zinc/98/93/66/500989366.db2.gz PDOXBKUIZYUWQP-VIFPVBQESA-N -1 3 353.787 3.023 20 0 FGADHM CCc1ncc(S(=O)(=O)[N-][C@H]2C[C@H](c3cc(F)cc(F)c3)C2)s1 ZINC000435584641 500995695 /nfs/dbraw/zinc/99/56/95/500995695.db2.gz MZGPTUOVYVSCQT-MJHDQNEOSA-N -1 3 358.435 3.208 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]C[C@H](c2cccnc2)C(C)C)c(F)cc1F ZINC000440409421 501006244 /nfs/dbraw/zinc/00/62/44/501006244.db2.gz AJHQXNQIFKMOTK-AWEZNQCLSA-N -1 3 354.422 3.386 20 0 FGADHM CCS(=O)(=O)c1ccc(-c2noc(/C=C/c3cccc([O-])c3)n2)cc1 ZINC000445604249 501009191 /nfs/dbraw/zinc/00/91/91/501009191.db2.gz KSOGHMKPNRZJJX-IZZDOVSWSA-N -1 3 356.403 3.406 20 0 FGADHM Cc1cc[nH]c1C(=O)N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1 ZINC000435696259 501013263 /nfs/dbraw/zinc/01/32/63/501013263.db2.gz OZBZCITVULKCFJ-UHFFFAOYSA-N -1 3 363.190 3.289 20 0 FGADHM COc1cc(CN[C@H](C(=O)OC(C)C)C(C)C)cc(Br)c1[O-] ZINC000449507653 501021414 /nfs/dbraw/zinc/02/14/14/501021414.db2.gz MFHMVMHEPVCDKE-AWEZNQCLSA-N -1 3 374.275 3.229 20 0 FGADHM Cc1c(C(=O)[N-]c2c(F)cc(F)cc2F)nnn1Cc1ccc(F)cc1 ZINC000435818075 501033610 /nfs/dbraw/zinc/03/36/10/501033610.db2.gz QTBWSUYVTAIRTJ-UHFFFAOYSA-N -1 3 364.302 3.444 20 0 FGADHM COC(=O)c1cc(NC(=O)c2n[n-]nc2-c2ccccc2)cc(Cl)c1F ZINC000435913167 501045594 /nfs/dbraw/zinc/04/55/94/501045594.db2.gz HFXMXSUABYHRIO-UHFFFAOYSA-N -1 3 374.759 3.303 20 0 FGADHM CCSc1nnc([N-]C(=O)c2cn(CC)nc2C(F)(F)F)s1 ZINC000436123186 501074335 /nfs/dbraw/zinc/07/43/35/501074335.db2.gz LJBXXCQPJNJZLN-UHFFFAOYSA-N -1 3 351.379 3.138 20 0 FGADHM CCCCn1c(=O)[n-]nc1S[C@H](Cc1ccc(F)c(F)c1F)C(C)=O ZINC000436131717 501075564 /nfs/dbraw/zinc/07/55/64/501075564.db2.gz PXLMMTFFZGMWOI-GFCCVEGCSA-N -1 3 373.400 3.494 20 0 FGADHM COC(=O)c1cccc(F)c1[N-]S(=O)(=O)c1ccc(OC(C)C)cc1 ZINC000436147821 501078599 /nfs/dbraw/zinc/07/85/99/501078599.db2.gz AZOLXHCLBWMKQX-UHFFFAOYSA-N -1 3 367.398 3.200 20 0 FGADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)N[C@H]1C[C@]1(C)c1ccccc1 ZINC000607704139 506233357 /nfs/dbraw/zinc/23/33/57/506233357.db2.gz GOTMBGCVRUCSGM-HRAATJIYSA-N -1 3 362.433 3.011 20 0 FGADHM O=C(N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1)c1cc(N2CCCC2)ccn1 ZINC000446192793 501088172 /nfs/dbraw/zinc/08/81/72/501088172.db2.gz QTDJSWIVTIGWJX-UHFFFAOYSA-N -1 3 369.375 3.024 20 0 FGADHM CC(=O)c1[n-]c(=N[C@H]2CCN(c3ccccc3OC(F)F)C2)sc1C ZINC000450339677 501094974 /nfs/dbraw/zinc/09/49/74/501094974.db2.gz RNNNOEFSNXEJKN-LBPRGKRZSA-N -1 3 367.421 3.368 20 0 FGADHM COc1ccccc1COC1CCN(C(=O)Cc2ccc([O-])c(F)c2)CC1 ZINC000450363606 501100934 /nfs/dbraw/zinc/10/09/34/501100934.db2.gz KTNNANBYDIUDSB-UHFFFAOYSA-N -1 3 373.424 3.290 20 0 FGADHM CC[C@@H](c1nnc([N-]C(=O)c2cn(CC3CC3)nn2)s1)c1ccccc1 ZINC000449850073 501106765 /nfs/dbraw/zinc/10/67/65/501106765.db2.gz QFXRACQVROGGPK-CQSZACIVSA-N -1 3 368.466 3.334 20 0 FGADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)N[C@H]1C[C@@H]1C1CCCCC1 ZINC000607707194 506234974 /nfs/dbraw/zinc/23/49/74/506234974.db2.gz WILBBRZZROFIJF-CJNGLKHVSA-N -1 3 354.454 3.250 20 0 FGADHM CC(C)Cn1ccc2cc([N-]S(=O)(=O)c3c[nH]c(=O)s3)ccc21 ZINC000436477294 501134572 /nfs/dbraw/zinc/13/45/72/501134572.db2.gz LTRJXKPZOJBUEK-UHFFFAOYSA-N -1 3 351.453 3.260 20 0 FGADHM COC(=O)c1ccc(C)c([N-]C(=O)c2cc(COC(C)(C)C)on2)c1O ZINC000436481707 501135460 /nfs/dbraw/zinc/13/54/60/501135460.db2.gz CZDIBTYYWPQKKR-UHFFFAOYSA-N -1 3 362.382 3.043 20 0 FGADHM O=C(NCC[C@@H](O)C(F)(F)F)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436494255 501138668 /nfs/dbraw/zinc/13/86/68/501138668.db2.gz KZWXZSKLZPMGJQ-QGZVFWFLSA-N -1 3 367.367 3.221 20 0 FGADHM O=C(NCC[C@@H](O)C(F)(F)F)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436495704 501139417 /nfs/dbraw/zinc/13/94/17/501139417.db2.gz OIMMQWCBTCUJQC-MRXNPFEDSA-N -1 3 369.339 3.014 20 0 FGADHM Cc1c(NC(=O)c2ccc(C)cc2[O-])nnn1CCOc1ccc(F)cc1 ZINC000436499345 501140050 /nfs/dbraw/zinc/14/00/50/501140050.db2.gz YZJQWGPZMHWELW-UHFFFAOYSA-N -1 3 370.384 3.071 20 0 FGADHM O=C(NCC[C@H](O)C(F)(F)F)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436498432 501140061 /nfs/dbraw/zinc/14/00/61/501140061.db2.gz WAEMYIUKYRYUPI-HNNXBMFYSA-N -1 3 355.312 3.228 20 0 FGADHM CC1(CNC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CC1 ZINC000436528247 501148463 /nfs/dbraw/zinc/14/84/63/501148463.db2.gz NOFOIDBKKPWUHH-GOSISDBHSA-N -1 3 352.434 3.170 20 0 FGADHM Cc1noc([C@@H](C)NC(=O)c2cc(OCc3ccccc3)ccc2[O-])n1 ZINC000436531401 501148992 /nfs/dbraw/zinc/14/89/92/501148992.db2.gz HXBAIIGDHDJXPO-GFCCVEGCSA-N -1 3 353.378 3.154 20 0 FGADHM CCc1nc(-c2nc(-c3ccc([O-])cc3)no2)nn1-c1ccccc1F ZINC000436532467 501149380 /nfs/dbraw/zinc/14/93/80/501149380.db2.gz JXLSOMNVECBYHP-UHFFFAOYSA-N -1 3 351.341 3.391 20 0 FGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)c2cccc3c2CCCC3)c1 ZINC000450002142 501151012 /nfs/dbraw/zinc/15/10/12/501151012.db2.gz GONHLTMOWJLEFB-UHFFFAOYSA-N -1 3 358.463 3.498 20 0 FGADHM CC(C)[C@@H](NC(=O)c1cc2c(cc1[O-])CCCC2)c1nnc2ccccn21 ZINC000436542361 501151504 /nfs/dbraw/zinc/15/15/04/501151504.db2.gz GLVKEUSOBXAGKV-LJQANCHMSA-N -1 3 364.449 3.441 20 0 FGADHM CC[C@H]1Oc2cc([C@H](C)NC(=O)Cc3ccc([O-])c(F)c3)ccc2NC1=O ZINC000450009896 501153734 /nfs/dbraw/zinc/15/37/34/501153734.db2.gz NVWHXRJBCSKNDZ-APPDUMDISA-N -1 3 372.396 3.061 20 0 FGADHM COc1cccc(CN(C[C@@H]2CCCO2)C(=O)c2ccc(OC)cc2[O-])c1 ZINC000436548991 501154534 /nfs/dbraw/zinc/15/45/34/501154534.db2.gz OLBBOKQQARRCEV-SFHVURJKSA-N -1 3 371.433 3.231 20 0 FGADHM COc1cc(-c2nc3cc(Br)c(F)cc3c(=O)[n-]2)ccc1O ZINC000436563435 501158141 /nfs/dbraw/zinc/15/81/41/501158141.db2.gz MYOJXKLWIIKRNP-UHFFFAOYSA-N -1 3 365.158 3.206 20 0 FGADHM Cc1ccc(C(=O)NCc2ccccc2CN2C[C@H](C)O[C@@H](C)C2)c([O-])c1 ZINC000436571545 501159554 /nfs/dbraw/zinc/15/95/54/501159554.db2.gz WBDAJRKOETZNCN-IRXDYDNUSA-N -1 3 368.477 3.240 20 0 FGADHM CCOc1cccc(CNC(=O)c2ccc(OC)cc2[O-])c1OC(F)F ZINC000436582596 501162083 /nfs/dbraw/zinc/16/20/83/501162083.db2.gz IOHOMHXNQLXKRP-UHFFFAOYSA-N -1 3 367.348 3.331 20 0 FGADHM C[S@@](=O)C[C@H](NC(=O)c1cc2c(cc1[O-])CCCC2)c1ccccc1 ZINC000436588924 501164399 /nfs/dbraw/zinc/16/43/99/501164399.db2.gz JBWJGLHLVJFKCL-AVRWGWEMSA-N -1 3 357.475 3.121 20 0 FGADHM COCCCOc1cc(C)ccc1CNC(=O)c1cc(OC)ccc1[O-] ZINC000436590349 501164841 /nfs/dbraw/zinc/16/48/41/501164841.db2.gz STIZJJYBQQMCLC-UHFFFAOYSA-N -1 3 359.422 3.055 20 0 FGADHM COc1cccc(C(=O)N[C@@H](c2ccc3c(c2)OCCO3)C2CC2)c1[O-] ZINC000436589755 501165301 /nfs/dbraw/zinc/16/53/01/501165301.db2.gz QNUKLCZTEPXBJK-GOSISDBHSA-N -1 3 355.390 3.053 20 0 FGADHM CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(C)cc2[O-])c1 ZINC000436596719 501166499 /nfs/dbraw/zinc/16/64/99/501166499.db2.gz NHQGRVQFVTWJTP-CYBMUJFWSA-N -1 3 362.451 3.030 20 0 FGADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCSC[C@H]1CCO ZINC000436597317 501166607 /nfs/dbraw/zinc/16/66/07/501166607.db2.gz UUTWRDNSGBZXJK-CQSZACIVSA-N -1 3 359.447 3.125 20 0 FGADHM O=C(Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)[C@@H]1CCC(=O)NC1 ZINC000436600663 501167783 /nfs/dbraw/zinc/16/77/83/501167783.db2.gz AJKSEOFRMOKSJN-LLVKDONJSA-N -1 3 367.430 3.134 20 0 FGADHM O=C(c1ccccc1[O-])N1CCc2cc(Br)cc(F)c2C1 ZINC000436606943 501168729 /nfs/dbraw/zinc/16/87/29/501168729.db2.gz RLQNLJCQHCJIIT-UHFFFAOYSA-N -1 3 350.187 3.492 20 0 FGADHM CC(=O)c1ccc(C(=O)NCC2(c3ccc(F)cc3)CCOCC2)cc1[O-] ZINC000436608171 501169263 /nfs/dbraw/zinc/16/92/63/501169263.db2.gz PPQOFIGPSVQNOD-UHFFFAOYSA-N -1 3 371.408 3.212 20 0 FGADHM Cc1nn(C)c(-n2cccn2)c1-c1nc(-c2ccc([O-])c3ccccc23)no1 ZINC000436613900 501170047 /nfs/dbraw/zinc/17/00/47/501170047.db2.gz TYPCPWLWOFRNSL-UHFFFAOYSA-N -1 3 372.388 3.490 20 0 FGADHM C[C@@H]1CCC[C@@H](CCNC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])C1 ZINC000436617119 501171206 /nfs/dbraw/zinc/17/12/06/501171206.db2.gz HDNAJBWBFQLVTJ-RYRKJORJSA-N -1 3 358.482 3.329 20 0 FGADHM Cc1cccc([C@H](C)CNC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])c1 ZINC000436619339 501171226 /nfs/dbraw/zinc/17/12/26/501171226.db2.gz OWOCIOISGHUAQU-APWZRJJASA-N -1 3 366.461 3.225 20 0 FGADHM COC(=O)c1ccsc1[N-]C(=O)C(=O)Nc1ccc(C2CC2)c(C)c1 ZINC000441785233 501171461 /nfs/dbraw/zinc/17/14/61/501171461.db2.gz DXHALHXAORPYND-UHFFFAOYSA-N -1 3 358.419 3.298 20 0 FGADHM O=C(NCCc1ccn(-c2ccccc2)n1)c1cc2c(cc1[O-])CCCC2 ZINC000436628030 501172695 /nfs/dbraw/zinc/17/26/95/501172695.db2.gz ZSRRKSMHQGSDAF-UHFFFAOYSA-N -1 3 361.445 3.429 20 0 FGADHM CCOc1nc2cc(C(=O)NCc3csc([C@@H](C)OC)n3)ccc2[n-]1 ZINC000450076508 501173578 /nfs/dbraw/zinc/17/35/78/501173578.db2.gz KNKGENPBTTUGKI-SNVBAGLBSA-N -1 3 360.439 3.056 20 0 FGADHM CCOc1nc2ccc(C(=O)NCc3csc([C@@H](C)OC)n3)cc2[n-]1 ZINC000450076508 501173581 /nfs/dbraw/zinc/17/35/81/501173581.db2.gz KNKGENPBTTUGKI-SNVBAGLBSA-N -1 3 360.439 3.056 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)NC[C@H](C)Sc2ccccc2)c([O-])c1 ZINC000436641192 501176573 /nfs/dbraw/zinc/17/65/73/501176573.db2.gz USBABAPFRYZKQQ-HNNXBMFYSA-N -1 3 372.490 3.118 20 0 FGADHM CC[C@@H](NC(=O)c1cc(C)ccc1[O-])[C@H](c1ccc(C)cc1)n1cncn1 ZINC000436650924 501179019 /nfs/dbraw/zinc/17/90/19/501179019.db2.gz SOXCGPBHWOCIKU-QUCCMNQESA-N -1 3 364.449 3.399 20 0 FGADHM COc1cccc(C(C)(C)C[N-]S(=O)(=O)c2sc(C)nc2C)c1 ZINC000441877372 501179846 /nfs/dbraw/zinc/17/98/46/501179846.db2.gz WENHSZJXYXDNGE-UHFFFAOYSA-N -1 3 354.497 3.025 20 0 FGADHM CC1CCN([C@H](CNC(=O)C(=O)c2ccc([O-])cc2)c2cccs2)CC1 ZINC000436664846 501182061 /nfs/dbraw/zinc/18/20/61/501182061.db2.gz MFYIADKNGQELSP-QGZVFWFLSA-N -1 3 372.490 3.226 20 0 FGADHM CCOc1cccc([C@@H](C)NC(=O)CCNC(=O)c2ccc(C)cc2[O-])c1 ZINC000436664931 501182562 /nfs/dbraw/zinc/18/25/62/501182562.db2.gz LGFUSZKYENYMNR-OAHLLOKOSA-N -1 3 370.449 3.097 20 0 FGADHM CC(C)c1ccc(SCC(=O)NCCNC(=O)c2ccc([O-])cc2)cc1 ZINC000436682924 501187728 /nfs/dbraw/zinc/18/77/28/501187728.db2.gz SAPCRASKPGAERY-UHFFFAOYSA-N -1 3 372.490 3.154 20 0 FGADHM COc1ccc(OC)c(-c2noc(-c3cc(OC)c([O-])c(OC)c3)n2)c1 ZINC000436686093 501188500 /nfs/dbraw/zinc/18/85/00/501188500.db2.gz CSKGTMQQNYJXTF-UHFFFAOYSA-N -1 3 358.350 3.144 20 0 FGADHM CC(C)(C)c1ccnc(NC2CCN(C(=O)c3ccccc3[O-])CC2)n1 ZINC000436711137 501193906 /nfs/dbraw/zinc/19/39/06/501193906.db2.gz DKILZYQKVDBVPP-UHFFFAOYSA-N -1 3 354.454 3.196 20 0 FGADHM CCOC(=O)c1sc(NC(=O)c2cccc(OC)c2[O-])nc1C(C)C ZINC000436717076 501195209 /nfs/dbraw/zinc/19/52/09/501195209.db2.gz DEINLKDVDJQZMM-UHFFFAOYSA-N -1 3 364.423 3.410 20 0 FGADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N[C@@H]1CC[C@@H](F)C1 ZINC000436746737 501203034 /nfs/dbraw/zinc/20/30/34/501203034.db2.gz ZOKJNNURHWJQFB-LMMKCTJWSA-N -1 3 370.424 3.260 20 0 FGADHM COc1cccc(C(=O)NC[C@H](c2ccc(OC(C)C)cc2)N(C)C)c1[O-] ZINC000436744832 501203148 /nfs/dbraw/zinc/20/31/48/501203148.db2.gz QBCOLYHZDOXYRB-GOSISDBHSA-N -1 3 372.465 3.221 20 0 FGADHM Cc1ccoc1CN(C)C(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000436750104 501203995 /nfs/dbraw/zinc/20/39/95/501203995.db2.gz VIZBXAVZHZLHFO-UHFFFAOYSA-N -1 3 369.377 3.115 20 0 FGADHM COc1ccc(Cl)cc1CN1CCN(C(=O)c2cccc(C)c2[O-])CC1 ZINC000436760802 501206777 /nfs/dbraw/zinc/20/67/77/501206777.db2.gz FQCTVFGJIRNKJT-UHFFFAOYSA-N -1 3 374.868 3.321 20 0 FGADHM COc1cccc(C(=O)NCC(C)(C)c2ccc(OC)c(OC)c2)c1[O-] ZINC000436763322 501207113 /nfs/dbraw/zinc/20/71/13/501207113.db2.gz XBTZGOIKMSYTMS-UHFFFAOYSA-N -1 3 359.422 3.126 20 0 FGADHM CCOc1cc(-c2nc(-c3ccc([O-])cc3)no2)ccc1OCC(=O)OC ZINC000436771091 501208965 /nfs/dbraw/zinc/20/89/65/501208965.db2.gz XAGGXWGGZIIVLP-UHFFFAOYSA-N -1 3 370.361 3.060 20 0 FGADHM COc1ccc(OCCN(C)C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)cc1 ZINC000436774679 501209377 /nfs/dbraw/zinc/20/93/77/501209377.db2.gz BPWVFRTZVNHQTB-UHFFFAOYSA-N -1 3 371.433 3.265 20 0 FGADHM Cc1cccc([C@@H](CNC(=O)c2ccc(C)c(C)c2[O-])N2CCOCC2)c1 ZINC000436780952 501210939 /nfs/dbraw/zinc/21/09/39/501210939.db2.gz RFJRRUBYGGNXQT-HXUWFJFHSA-N -1 3 368.477 3.121 20 0 FGADHM O=C(NCc1cccc(NC(=O)c2ccccc2)c1)c1ccc(O)cc1[O-] ZINC000436786189 501211685 /nfs/dbraw/zinc/21/16/85/501211685.db2.gz HRWNTJRZXRYYAE-UHFFFAOYSA-N -1 3 362.385 3.280 20 0 FGADHM C[C@@H](Cc1cccc(Br)c1)NC(=O)c1ccc(O)cc1[O-] ZINC000436796187 501212499 /nfs/dbraw/zinc/21/24/99/501212499.db2.gz IKQAYCDIDCHDRY-JTQLQIEISA-N -1 3 350.212 3.221 20 0 FGADHM CCn1nc(C(=O)Nc2cc(Cl)cc(C)c2[O-])c(=O)c2ccccc21 ZINC000436805972 501214202 /nfs/dbraw/zinc/21/42/02/501214202.db2.gz GKMZTGDKRFXZHO-UHFFFAOYSA-N -1 3 357.797 3.336 20 0 FGADHM CCc1ccc(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C)cc2)c([O-])c1 ZINC000436817769 501215942 /nfs/dbraw/zinc/21/59/42/501215942.db2.gz CHPFQDTZPJJDIF-KRWDZBQOSA-N -1 3 370.474 3.417 20 0 FGADHM COc1cc2c(cc1NC(=O)c1ccc3c(c1[O-])CCCC3)NC(=O)CC2 ZINC000436821111 501216440 /nfs/dbraw/zinc/21/64/40/501216440.db2.gz UMPZZIUXQQLLQR-UHFFFAOYSA-N -1 3 366.417 3.417 20 0 FGADHM C[C@@H](CCCC(F)(F)F)NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436820367 501216581 /nfs/dbraw/zinc/21/65/81/501216581.db2.gz HLBAHGZWRSJLRB-GXTWGEPZSA-N -1 3 372.387 3.234 20 0 FGADHM CCc1ccc(C(=O)N(CC)[C@@H]2CCN(c3ccccc3)C2=O)c([O-])c1 ZINC000436824640 501216985 /nfs/dbraw/zinc/21/69/85/501216985.db2.gz ICUDWOLYFIDUMO-GOSISDBHSA-N -1 3 352.434 3.222 20 0 FGADHM COC(=O)[C@]1(C)CCCN1C(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436825400 501217112 /nfs/dbraw/zinc/21/71/12/501217112.db2.gz GGWWRMMPPFQEKZ-NRFANRHFSA-N -1 3 369.417 3.139 20 0 FGADHM COCC[C@H](Cc1ccco1)NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436829138 501217975 /nfs/dbraw/zinc/21/79/75/501217975.db2.gz RZHBJGSFXJBLHR-CQSZACIVSA-N -1 3 359.422 3.076 20 0 FGADHM CCc1ccc(C(=O)NC2CCN(c3ccccc3OC)CC2)c([O-])c1 ZINC000436828327 501218107 /nfs/dbraw/zinc/21/81/07/501218107.db2.gz XXCHXOQBKOPROZ-UHFFFAOYSA-N -1 3 354.450 3.362 20 0 FGADHM CCOC(=O)c1sc(NC(=O)Cc2ccc([O-])c(F)c2)nc1C(C)C ZINC000450257608 501220844 /nfs/dbraw/zinc/22/08/44/501220844.db2.gz WPFLMPVBBLPGMM-UHFFFAOYSA-N -1 3 366.414 3.469 20 0 FGADHM CCCCO[C@H]1C[C@H](NC(=O)c2cc(OC)c([O-])c(OC)c2)C1(C)C ZINC000436874236 501225698 /nfs/dbraw/zinc/22/56/98/501225698.db2.gz UULKXVMMKRJDBA-HOTGVXAUSA-N -1 3 351.443 3.123 20 0 FGADHM O=C(N[C@H](Cc1nnc[nH]1)c1ccccc1)c1cc2ccccc2cc1[O-] ZINC000436882089 501226784 /nfs/dbraw/zinc/22/67/84/501226784.db2.gz PZWAMCNUEYUSKK-GOSISDBHSA-N -1 3 358.401 3.377 20 0 FGADHM O=C(N[C@H](Cc1nc[nH]n1)c1ccccc1)c1cc2ccccc2cc1[O-] ZINC000436882089 501226786 /nfs/dbraw/zinc/22/67/86/501226786.db2.gz PZWAMCNUEYUSKK-GOSISDBHSA-N -1 3 358.401 3.377 20 0 FGADHM O=C(N[C@H](CO)c1ccsc1)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436903554 501230015 /nfs/dbraw/zinc/23/00/15/501230015.db2.gz IPMQAGQQNBNLNE-GOSISDBHSA-N -1 3 369.442 3.496 20 0 FGADHM COc1cccc(-c2noc([C@H](C)NC(=O)c3ccc([O-])c(C)c3)n2)c1 ZINC000436904915 501230023 /nfs/dbraw/zinc/23/00/23/501230023.db2.gz RDKFPUMCEXPUJR-LBPRGKRZSA-N -1 3 353.378 3.250 20 0 FGADHM Cc1csc(S(=O)(=O)[N-]Cc2ccccc2OCC(F)(F)F)c1 ZINC000451099694 501245724 /nfs/dbraw/zinc/24/57/24/501245724.db2.gz YZOYECMIXOMUOR-UHFFFAOYSA-N -1 3 365.398 3.476 20 0 FGADHM Cc1csc(S(=O)(=O)[N-][C@@H]2CCN([C@@H](C)c3ccccc3)C2)c1 ZINC000451106344 501246212 /nfs/dbraw/zinc/24/62/12/501246212.db2.gz OGHYULQXBNUXGG-GOEBONIOSA-N -1 3 350.509 3.170 20 0 FGADHM CC[C@@H]1[C@H](CO)CCN1Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000451251581 501255012 /nfs/dbraw/zinc/25/50/12/501255012.db2.gz GCOBNWTVABXBPI-WCQYABFASA-N -1 3 359.451 3.250 20 0 FGADHM CO[C@@H](C[N-]S(=O)(=O)Cc1c(F)cccc1Cl)c1ccccc1 ZINC000451284205 501257404 /nfs/dbraw/zinc/25/74/04/501257404.db2.gz OVTHTXWMJCQEFA-INIZCTEOSA-N -1 3 357.834 3.286 20 0 FGADHM C[C@H]1CC[C@@](C)(C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)C1(C)C ZINC000457642319 501274314 /nfs/dbraw/zinc/27/43/14/501274314.db2.gz DVRHPNYOONWPFW-BTYIYWSLSA-N -1 3 358.482 3.139 20 0 FGADHM CC[C@H](NC(=O)Cc1noc(Cc2ccc([O-])c(F)c2)n1)c1ccccc1 ZINC000453176822 501286009 /nfs/dbraw/zinc/28/60/09/501286009.db2.gz PTNWHLKNXCSGJT-INIZCTEOSA-N -1 3 369.396 3.315 20 0 FGADHM CCC[C@@H](NC(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C)c1)C(C)(C)C ZINC000455404455 501293500 /nfs/dbraw/zinc/29/35/00/501293500.db2.gz PCDSDHSXXGUBSJ-CQSZACIVSA-N -1 3 359.467 3.070 20 0 FGADHM CCOCc1nc(C)c(C(=O)[N-]c2cc(F)cc(C(=O)OC)c2F)s1 ZINC000451569098 501327520 /nfs/dbraw/zinc/32/75/20/501327520.db2.gz NPSTUFCOZMSDMC-UHFFFAOYSA-N -1 3 370.377 3.305 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)c1cc(C(C)C)ccc1Cl)[C@H](O)C(F)F ZINC000451703569 501356317 /nfs/dbraw/zinc/35/63/17/501356317.db2.gz FJPSCKWVCGIMLV-AAEUAGOBSA-N -1 3 355.834 3.146 20 0 FGADHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(F)c(F)c2F)c2ccccc2O1 ZINC000451718150 501359573 /nfs/dbraw/zinc/35/95/73/501359573.db2.gz PDIJICFYEAWFIS-BXKDBHETSA-N -1 3 357.353 3.295 20 0 FGADHM O=S(=O)([N-]CC1(CF)CCOCC1)c1cc(Cl)cc(Cl)c1 ZINC000451813005 501377643 /nfs/dbraw/zinc/37/76/43/501377643.db2.gz ILRVYNMGLHZRIV-UHFFFAOYSA-N -1 3 356.246 3.038 20 0 FGADHM CC[C@@H](C)[C@H](CNC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1)OC ZINC000454274295 501499278 /nfs/dbraw/zinc/49/92/78/501499278.db2.gz GNWOHAJMXWANQX-PXAZEXFGSA-N -1 3 358.442 3.340 20 0 FGADHM CC[C@H](C)N1CCN(C(=O)c2ccc(C(=O)c3cccc([O-])c3)cc2)CC1 ZINC000456532256 501543451 /nfs/dbraw/zinc/54/34/51/501543451.db2.gz PEGSRNGBDOFVSK-INIZCTEOSA-N -1 3 366.461 3.180 20 0 FGADHM C[C@H](NC(=O)Cc1ccc([O-])cc1Cl)C(=O)N1c2ccccc2C[C@@H]1C ZINC000456652208 501567269 /nfs/dbraw/zinc/56/72/69/501567269.db2.gz PKKJRIDKQNIOOL-STQMWFEESA-N -1 3 372.852 3.071 20 0 FGADHM CC(C)OCCOC1CCN(C(=O)c2ccc3c(c2[O-])CCCC3)CC1 ZINC000456806194 501602194 /nfs/dbraw/zinc/60/21/94/501602194.db2.gz MHYLLYQVDHIIGH-UHFFFAOYSA-N -1 3 361.482 3.317 20 0 FGADHM CC(C)OCCOC1CCN(C(=O)Cc2ccc([O-])cc2Cl)CC1 ZINC000456808490 501602909 /nfs/dbraw/zinc/60/29/09/501602909.db2.gz PWJWRQPCBGLSRN-UHFFFAOYSA-N -1 3 355.862 3.021 20 0 FGADHM Cc1nc(S(=O)(=O)Cc2csc(CCc3ccccc3)n2)[n-]c1C ZINC000453026900 501604025 /nfs/dbraw/zinc/60/40/25/501604025.db2.gz NPIYRVIGZVYDDM-UHFFFAOYSA-N -1 3 361.492 3.242 20 0 FGADHM CC(C)(C)C[C@@H]1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])C1 ZINC000457004460 501633626 /nfs/dbraw/zinc/63/36/26/501633626.db2.gz CDABSBLVVGPAPE-DOTOQJQBSA-N -1 3 358.482 3.282 20 0 FGADHM C[C@@H](c1ccc(F)cc1F)N1CCN(Cc2cc(=O)[n-]c(C3CC3)n2)CC1 ZINC000459347272 501636810 /nfs/dbraw/zinc/63/68/10/501636810.db2.gz XPIHWPLDNSVIDC-ZDUSSCGKSA-N -1 3 374.435 3.217 20 0 FGADHM CCCc1ccc([C@@H](C)N(CC(N)=O)Cc2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC000459363126 501639855 /nfs/dbraw/zinc/63/98/55/501639855.db2.gz YKAKYTBNQZGNHB-CQSZACIVSA-N -1 3 368.481 3.061 20 0 FGADHM CN(C)[C@@H](CNCc1cccc([O-])c1Br)Cc1ccccc1 ZINC000459373933 501641929 /nfs/dbraw/zinc/64/19/29/501641929.db2.gz IRIZJYVLKFBFLS-MRXNPFEDSA-N -1 3 363.299 3.417 20 0 FGADHM C[C@@H](c1cccc(F)c1)N1CCN(Cc2cc(=O)[n-]c(C3CC3)n2)CC1 ZINC000459373260 501641969 /nfs/dbraw/zinc/64/19/69/501641969.db2.gz KGFQOYQQWWTAEY-AWEZNQCLSA-N -1 3 356.445 3.078 20 0 FGADHM O=C(Nc1ccc(F)cc1)C1CCN(Cc2cc(=O)[n-]c(C3CC3)n2)CC1 ZINC000459377932 501642368 /nfs/dbraw/zinc/64/23/68/501642368.db2.gz YGWLKHBNYQDCEF-UHFFFAOYSA-N -1 3 370.428 3.049 20 0 FGADHM CCOC(=O)c1nnc(-c2cccc(CNCc3c(F)cccc3F)c2)[n-]1 ZINC000582513761 506265377 /nfs/dbraw/zinc/26/53/77/506265377.db2.gz DWOJLWIMEXOSIW-UHFFFAOYSA-N -1 3 372.375 3.216 20 0 FGADHM CCOC(=O)c1nc(-c2cccc(CNCc3c(F)cccc3F)c2)n[n-]1 ZINC000582513761 506265383 /nfs/dbraw/zinc/26/53/83/506265383.db2.gz DWOJLWIMEXOSIW-UHFFFAOYSA-N -1 3 372.375 3.216 20 0 FGADHM CCOC(=O)c1n[n-]c(-c2cccc(CNCc3c(F)cccc3F)c2)n1 ZINC000582513761 506265389 /nfs/dbraw/zinc/26/53/89/506265389.db2.gz DWOJLWIMEXOSIW-UHFFFAOYSA-N -1 3 372.375 3.216 20 0 FGADHM CCOc1cc(CN[C@H](C)C(=O)N2CCCC[C@@H]2C)cc(Cl)c1[O-] ZINC000459421058 501651182 /nfs/dbraw/zinc/65/11/82/501651182.db2.gz YRONNDZJDXFISX-QWHCGFSZSA-N -1 3 354.878 3.323 20 0 FGADHM Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2Cc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000459462157 501657989 /nfs/dbraw/zinc/65/79/89/501657989.db2.gz UDJIGELFPZQIJS-MOPGFXCFSA-N -1 3 373.460 3.403 20 0 FGADHM Cn1nc([C@@H]2CCCOC2)cc1NCc1cccc([O-])c1Br ZINC000459498946 501664492 /nfs/dbraw/zinc/66/44/92/501664492.db2.gz CXIUKSKECQASDJ-GFCCVEGCSA-N -1 3 366.259 3.394 20 0 FGADHM CC(C)OCc1nc([C@H](C)NCc2cc(=O)[n-]c(-c3ccccc3)n2)no1 ZINC000459498267 501664543 /nfs/dbraw/zinc/66/45/43/501664543.db2.gz KWTUABFHTXDDOC-ZDUSSCGKSA-N -1 3 369.425 3.008 20 0 FGADHM CCO[C@H]1C[C@@H](NCc2cccc([O-])c2Br)C12CCOCC2 ZINC000459521117 501668733 /nfs/dbraw/zinc/66/87/33/501668733.db2.gz HFSNNUROLSZENS-CABCVRRESA-N -1 3 370.287 3.219 20 0 FGADHM CCOc1cc(CN2CCC[C@H](c3ccnc(N)n3)C2)cc(Cl)c1[O-] ZINC000459543538 501673214 /nfs/dbraw/zinc/67/32/14/501673214.db2.gz MNRHBSUFAWRTJL-ZDUSSCGKSA-N -1 3 362.861 3.026 20 0 FGADHM CCOc1cc(CN2CCCNC(=O)[C@H]2CC(C)C)cc(Cl)c1[O-] ZINC000459584644 501681816 /nfs/dbraw/zinc/68/18/16/501681816.db2.gz HTXBAVAGNOGCBK-OAHLLOKOSA-N -1 3 354.878 3.181 20 0 FGADHM CCCCN(C(=O)N=c1cc(OC(F)F)n(C)[n-]1)[C@@H]1CCCC[C@H]1OC ZINC000455210997 501708354 /nfs/dbraw/zinc/70/83/54/501708354.db2.gz OVXZKCKAQSOJSV-CHWSQXEVSA-N -1 3 374.432 3.035 20 0 FGADHM CC(C)(C)NS(=O)(=O)c1ccccc1[N-]C(=O)c1sccc1F ZINC000460046702 501725488 /nfs/dbraw/zinc/72/54/88/501725488.db2.gz KZAXSPRTOAXPPL-UHFFFAOYSA-N -1 3 356.444 3.216 20 0 FGADHM CC(=O)Nc1cccc(C(=O)Nc2nnc(-c3cc4ccccc4o3)[n-]2)c1 ZINC000485134811 501734091 /nfs/dbraw/zinc/73/40/91/501734091.db2.gz VRKNGEXWZUQHHP-UHFFFAOYSA-N -1 3 361.361 3.429 20 0 FGADHM CC(=O)Nc1cccc(C(=O)Nc2nc(-c3cc4ccccc4o3)n[n-]2)c1 ZINC000485134811 501734094 /nfs/dbraw/zinc/73/40/94/501734094.db2.gz VRKNGEXWZUQHHP-UHFFFAOYSA-N -1 3 361.361 3.429 20 0 FGADHM CC(=O)Nc1cccc(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)c1 ZINC000485134811 501734096 /nfs/dbraw/zinc/73/40/96/501734096.db2.gz VRKNGEXWZUQHHP-UHFFFAOYSA-N -1 3 361.361 3.429 20 0 FGADHM O=C(Cc1ccc(Br)cc1[O-])N1CCCC[C@H]1c1ncc[nH]1 ZINC000477615501 501739295 /nfs/dbraw/zinc/73/92/95/501739295.db2.gz WOJMVMONFROUAP-ZDUSSCGKSA-N -1 3 364.243 3.174 20 0 FGADHM CC1(CNC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)CC1 ZINC000477630151 501743897 /nfs/dbraw/zinc/74/38/97/501743897.db2.gz APBJXZNWPJSUEN-UHFFFAOYSA-N -1 3 362.426 3.156 20 0 FGADHM CCCS(=O)(=O)[N-]c1ccc(C(=O)Nc2cc3c[nH]nc3cc2C)cc1 ZINC000481331496 501746860 /nfs/dbraw/zinc/74/68/60/501746860.db2.gz GURBEEYFAKMDHI-UHFFFAOYSA-N -1 3 372.450 3.275 20 0 FGADHM COC(=O)CSCc1cccc(NC(=O)c2cc(OC)ccc2[O-])c1 ZINC000485226230 501762390 /nfs/dbraw/zinc/76/23/90/501762390.db2.gz XJJCXXHOZAFYSV-UHFFFAOYSA-N -1 3 361.419 3.059 20 0 FGADHM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccc(C(N)=O)cc2F)c(C)c1C ZINC000467308418 501768220 /nfs/dbraw/zinc/76/82/20/501768220.db2.gz OVLJDKXXFMVSGJ-UHFFFAOYSA-N -1 3 364.442 3.268 20 0 FGADHM O=S(=O)([N-][C@@H]1COc2ccc(Cl)cc21)c1cc(F)c(F)c(F)c1 ZINC000474295933 501780158 /nfs/dbraw/zinc/78/01/58/501780158.db2.gz DYQCSSATWHUODI-GFCCVEGCSA-N -1 3 363.744 3.169 20 0 FGADHM CCOC(=O)c1c(C(C)C)csc1[N-]C(=O)C(=O)N1CCCCCC1 ZINC000467387090 501782348 /nfs/dbraw/zinc/78/23/48/501782348.db2.gz DPOPABMXHDCLSM-UHFFFAOYSA-N -1 3 366.483 3.389 20 0 FGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1cccc(Oc2cnccn2)c1 ZINC000474328847 501791718 /nfs/dbraw/zinc/79/17/18/501791718.db2.gz HXWYTVOKLFVMHT-UHFFFAOYSA-N -1 3 369.406 3.047 20 0 FGADHM CCOC[C@H]([N-]S(=O)(=O)c1ccc(OC)c(Cl)c1Cl)C(C)C ZINC000474377516 501812767 /nfs/dbraw/zinc/81/27/67/501812767.db2.gz OULBSSDDIUUIMQ-JTQLQIEISA-N -1 3 370.298 3.341 20 0 FGADHM Cc1ccnc(C)c1NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000485430352 501819165 /nfs/dbraw/zinc/81/91/65/501819165.db2.gz MIMBSJKNZOELOH-UHFFFAOYSA-N -1 3 350.216 3.488 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(OC)c2)cc1 ZINC000463789221 501822037 /nfs/dbraw/zinc/82/20/37/501822037.db2.gz TYYGPELCVLFHEH-UHFFFAOYSA-N -1 3 351.424 3.292 20 0 FGADHM CC(C)Oc1cc(C(=O)Nc2nnc(-c3c(F)cccc3F)[n-]2)ccn1 ZINC000470853189 501829896 /nfs/dbraw/zinc/82/98/96/501829896.db2.gz YXVRQCBNQUBRBX-UHFFFAOYSA-N -1 3 359.336 3.184 20 0 FGADHM CC(C)Oc1cc(C(=O)Nc2nc(-c3c(F)cccc3F)n[n-]2)ccn1 ZINC000470853189 501829901 /nfs/dbraw/zinc/82/99/01/501829901.db2.gz YXVRQCBNQUBRBX-UHFFFAOYSA-N -1 3 359.336 3.184 20 0 FGADHM CC(C)Oc1cc(C(=O)Nc2n[n-]c(-c3c(F)cccc3F)n2)ccn1 ZINC000470853189 501829907 /nfs/dbraw/zinc/82/99/07/501829907.db2.gz YXVRQCBNQUBRBX-UHFFFAOYSA-N -1 3 359.336 3.184 20 0 FGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]c1cc(C)cn(C)c1=O ZINC000481617575 501834483 /nfs/dbraw/zinc/83/44/83/501834483.db2.gz UXLRRPUUGYYTFK-UHFFFAOYSA-N -1 3 366.826 3.203 20 0 FGADHM CCc1cnc(S(=O)(=O)Cc2coc(-c3ccc(Cl)cc3)n2)[n-]1 ZINC000474451204 501841640 /nfs/dbraw/zinc/84/16/40/501841640.db2.gz BKBHWCPCHHYQPR-UHFFFAOYSA-N -1 3 351.815 3.254 20 0 FGADHM CCc1c[n-]c(S(=O)(=O)Cc2coc(-c3ccc(Cl)cc3)n2)n1 ZINC000474451204 501841647 /nfs/dbraw/zinc/84/16/47/501841647.db2.gz BKBHWCPCHHYQPR-UHFFFAOYSA-N -1 3 351.815 3.254 20 0 FGADHM Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)Nc3ccc4c(c3)C(=O)[N-]C4=O)C2)cc1 ZINC000485525122 501846617 /nfs/dbraw/zinc/84/66/17/501846617.db2.gz UEMSVNBCEZYLLV-UKRRQHHQSA-N -1 3 363.417 3.289 20 0 FGADHM Cc1cccc2c(=O)c(C(=O)NCc3cc(COC(C)(C)C)on3)c[n-]c12 ZINC000485533007 501849292 /nfs/dbraw/zinc/84/92/92/501849292.db2.gz SGRODWHHUWEFJL-UHFFFAOYSA-N -1 3 369.421 3.070 20 0 FGADHM C[C@]1(C[N-]S(=O)(=O)c2csc(-c3ccccc3)n2)CCCS1 ZINC000467756611 501862223 /nfs/dbraw/zinc/86/22/23/501862223.db2.gz AKBQAMYITKZJIB-OAHLLOKOSA-N -1 3 354.522 3.374 20 0 FGADHM C[C@@]1(C[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)CCCS1 ZINC000467772609 501868039 /nfs/dbraw/zinc/86/80/39/501868039.db2.gz QSSJTNLZALKVAO-LBPRGKRZSA-N -1 3 357.394 3.409 20 0 FGADHM CCc1cc(C(=O)N[C@H](c2nccn2C)c2ccc(F)cc2)ccc1[O-] ZINC000485611047 501876728 /nfs/dbraw/zinc/87/67/28/501876728.db2.gz FCUTZXWXMQCOHK-SFHVURJKSA-N -1 3 353.397 3.347 20 0 FGADHM O=C(N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1)c1cc(F)c(F)c(F)c1 ZINC000467802075 501877785 /nfs/dbraw/zinc/87/77/85/501877785.db2.gz AJXSRSKAJKRUOX-UHFFFAOYSA-N -1 3 353.250 3.446 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)CCc3cnc4ccccc4c3)[n-]c21 ZINC000471039561 501899811 /nfs/dbraw/zinc/89/98/11/501899811.db2.gz VUWPLTOHXVCHME-UHFFFAOYSA-N -1 3 374.400 3.469 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)CCc3cnc4ccccc4c3)nc21 ZINC000471039561 501899813 /nfs/dbraw/zinc/89/98/13/501899813.db2.gz VUWPLTOHXVCHME-UHFFFAOYSA-N -1 3 374.400 3.469 20 0 FGADHM CN(C)Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)cc1Cl ZINC000481865571 501903141 /nfs/dbraw/zinc/90/31/41/501903141.db2.gz LQTORGGHTUXXSX-UHFFFAOYSA-N -1 3 366.870 3.137 20 0 FGADHM CCN(CC)[C@H](C[N-]S(=O)(=O)c1sc(C)nc1C)c1ccsc1 ZINC000481866687 501903677 /nfs/dbraw/zinc/90/36/77/501903677.db2.gz KLYYRGSHVJTLRS-CQSZACIVSA-N -1 3 373.569 3.183 20 0 FGADHM Cc1noc(C)c1[N-]C(=O)c1cc(I)ccc1F ZINC000474639169 501904459 /nfs/dbraw/zinc/90/44/59/501904459.db2.gz LLOSHGVHNHYNPZ-UHFFFAOYSA-N -1 3 360.126 3.287 20 0 FGADHM COc1cc(S(=O)(=O)[N-]c2ccc(CN(C)C)c(Cl)c2)ccc1F ZINC000481877337 501906556 /nfs/dbraw/zinc/90/65/56/501906556.db2.gz XPWTYSWDJGVENZ-UHFFFAOYSA-N -1 3 372.849 3.350 20 0 FGADHM Cc1ccc(NC(=O)c2ccc([N-]S(C)(=O)=O)cc2)cc1-c1ncco1 ZINC000481903428 501913959 /nfs/dbraw/zinc/91/39/59/501913959.db2.gz IVSHCMXGUROFKV-UHFFFAOYSA-N -1 3 371.418 3.274 20 0 FGADHM O=C(c1ccc2c(c1)C(=O)[N-]C2=O)N1CCC(c2cccc(Cl)c2)CC1 ZINC000478222104 501914769 /nfs/dbraw/zinc/91/47/69/501914769.db2.gz CQYNXYJFGPWXGL-UHFFFAOYSA-N -1 3 368.820 3.243 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)C3(Cc4ccccc4F)CC3)[n-]c21 ZINC000467972716 501916976 /nfs/dbraw/zinc/91/69/76/501916976.db2.gz DUSARKHZAHKBPD-UHFFFAOYSA-N -1 3 367.380 3.450 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)C3(Cc4ccccc4F)CC3)nc21 ZINC000467972716 501916980 /nfs/dbraw/zinc/91/69/80/501916980.db2.gz DUSARKHZAHKBPD-UHFFFAOYSA-N -1 3 367.380 3.450 20 0 FGADHM CC(C)(C)C(=O)C[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000464186000 501917225 /nfs/dbraw/zinc/91/72/25/501917225.db2.gz NWZDMMSPGJHDDX-UHFFFAOYSA-N -1 3 372.899 3.357 20 0 FGADHM COC(=O)c1cc(C(=O)[N-]c2cccc(Cl)c2Br)no1 ZINC000485745192 501922495 /nfs/dbraw/zinc/92/24/95/501922495.db2.gz XXKMTBDBWNQGBL-UHFFFAOYSA-N -1 3 359.563 3.129 20 0 FGADHM COC[C@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)c1ccc(F)cc1 ZINC000464208935 501922784 /nfs/dbraw/zinc/92/27/84/501922784.db2.gz DLUYVBZMDSCJJX-AWEZNQCLSA-N -1 3 361.797 3.284 20 0 FGADHM O=C(N[C@H](Cc1ccccc1)[C@H](O)C(F)F)c1cc([O-])ccc1Cl ZINC000481942658 501925505 /nfs/dbraw/zinc/92/55/05/501925505.db2.gz HFJDUSASTYLJCX-CABCVRRESA-N -1 3 355.768 3.013 20 0 FGADHM CCN=c1[n-]c(C(=O)N2CCC(C(=O)c3ccc(C)cc3)CC2)cs1 ZINC000478273831 501928884 /nfs/dbraw/zinc/92/88/84/501928884.db2.gz COFLYVXPNSDLQS-UHFFFAOYSA-N -1 3 357.479 3.040 20 0 FGADHM CCOc1ccc([N-]S(=O)(=O)CCOc2ccc(OC)cc2)cc1F ZINC000460821115 501929815 /nfs/dbraw/zinc/92/98/15/501929815.db2.gz TVHATPXQSZOHMD-UHFFFAOYSA-N -1 3 369.414 3.054 20 0 FGADHM O=S(=O)([N-]c1cc(F)ccc1SCC(F)F)N1CCCCC1 ZINC000460839102 501934553 /nfs/dbraw/zinc/93/45/53/501934553.db2.gz YLXYLILAGDDMRI-UHFFFAOYSA-N -1 3 354.419 3.326 20 0 FGADHM CCCS(=O)(=O)[N-]c1cc(NC(=O)c2cnccc2C)c(F)cc1F ZINC000460868588 501944268 /nfs/dbraw/zinc/94/42/68/501944268.db2.gz KEPXYRJGAKZQHB-UHFFFAOYSA-N -1 3 369.393 3.072 20 0 FGADHM Cc1cc(Br)cc(C)c1NC(=O)NCc1ncccc1[O-] ZINC000471188219 501948783 /nfs/dbraw/zinc/94/87/83/501948783.db2.gz PKCUZURBYFSSNX-UHFFFAOYSA-N -1 3 350.216 3.488 20 0 FGADHM CCC1(CC)CCCN(C(=O)C(=O)[N-]c2sccc2C(=O)OC)CC1 ZINC000471198026 501952179 /nfs/dbraw/zinc/95/21/79/501952179.db2.gz BQWPMGUQCGBVLP-UHFFFAOYSA-N -1 3 366.483 3.292 20 0 FGADHM Cc1cc(C)n(-c2ccc(NC(=O)NCc3ncccc3[O-])cc2F)n1 ZINC000471201227 501953586 /nfs/dbraw/zinc/95/35/86/501953586.db2.gz DIDPVMWVWBNKTI-UHFFFAOYSA-N -1 3 355.373 3.051 20 0 FGADHM CCc1ncc(S(=O)(=O)[N-]Cc2ccc(C)cc2OC(C)C)s1 ZINC000460897503 501953834 /nfs/dbraw/zinc/95/38/34/501953834.db2.gz RCJAHTZOWMPXBH-UHFFFAOYSA-N -1 3 354.497 3.280 20 0 FGADHM Cc1cc(CS(=O)(=O)[N-]Cc2ccccc2OCc2ccccc2)on1 ZINC000485877866 501971318 /nfs/dbraw/zinc/97/13/18/501971318.db2.gz ZJEQZVPQLYGXIY-UHFFFAOYSA-N -1 3 372.446 3.182 20 0 FGADHM Cc1ccc2c(CC[N-]S(=O)(=O)c3ccc(F)c(F)c3)c[nH]c2c1 ZINC000485885200 501976020 /nfs/dbraw/zinc/97/60/20/501976020.db2.gz VRXPUQOYXJJKCV-UHFFFAOYSA-N -1 3 350.390 3.276 20 0 FGADHM CC[C@H]1CCCC[C@@H]1OCC(=O)Nc1nc2cccc(C(=O)OC)c2[n-]1 ZINC000464397436 501978020 /nfs/dbraw/zinc/97/80/20/501978020.db2.gz IJQSTEKXLGLRHU-WFASDCNBSA-N -1 3 359.426 3.273 20 0 FGADHM CC[C@H]1CCCC[C@@H]1OCC(=O)Nc1nc2c(cccc2C(=O)OC)[n-]1 ZINC000464397436 501978025 /nfs/dbraw/zinc/97/80/25/501978025.db2.gz IJQSTEKXLGLRHU-WFASDCNBSA-N -1 3 359.426 3.273 20 0 FGADHM CC(C)CN(C(=O)N=c1cc2ccc(Br)cn2[n-]1)C1CC1 ZINC000482126652 501982879 /nfs/dbraw/zinc/98/28/79/501982879.db2.gz AJEGWRKLGSBGSM-UHFFFAOYSA-N -1 3 351.248 3.171 20 0 FGADHM Cc1cc(C(=O)Nc2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)c(C)cc1Cl ZINC000474898412 501984288 /nfs/dbraw/zinc/98/42/88/501984288.db2.gz QIZULLBLCNXDKF-IBGZPJMESA-N -1 3 371.824 3.264 20 0 FGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)c2ccc(Cl)cc2F)c1 ZINC000461028504 501993617 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Cc1cccc(F)c1S(=O)(=O)[N-]CCc1c[nH]c2ccc(F)cc12 ZINC000475783094 502290144 /nfs/dbraw/zinc/29/01/44/502290144.db2.gz UQJXREPZPQCZHJ-UHFFFAOYSA-N -1 3 350.390 3.276 20 0 FGADHM COc1cc(OC)c(NC(=O)c2c[n-]c3c(C)cccc3c2=O)cc1F ZINC000483147091 502290439 /nfs/dbraw/zinc/29/04/39/502290439.db2.gz BAGFLBVAOJLAFH-UHFFFAOYSA-N -1 3 356.353 3.245 20 0 FGADHM COC1(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)CCCCC1 ZINC000462070015 502293694 /nfs/dbraw/zinc/29/36/94/502293694.db2.gz ULSWQJJDLBARMF-UHFFFAOYSA-N -1 3 357.419 3.395 20 0 FGADHM O=S(=O)([N-]CCc1ccccc1F)c1ccc(C(F)(F)F)s1 ZINC000462085201 502300748 /nfs/dbraw/zinc/30/07/48/502300748.db2.gz RGPZELMODNYVJA-UHFFFAOYSA-N -1 3 353.362 3.427 20 0 FGADHM CN(C)C(=O)c1ccc(Cl)c([N-]C(=O)c2cc(-c3ccccn3)no2)c1 ZINC000462109050 502310680 /nfs/dbraw/zinc/31/06/80/502310680.db2.gz OOAKMYCUWUXEOD-UHFFFAOYSA-N -1 3 370.796 3.344 20 0 FGADHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc3cc(Cl)ccc3s2)CN1C1CC1 ZINC000472316564 502312291 /nfs/dbraw/zinc/31/22/91/502312291.db2.gz VJMPDSVWBVXRNN-MFKMUULPSA-N -1 3 370.927 3.458 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-]C[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000472328154 502317715 /nfs/dbraw/zinc/31/77/15/502317715.db2.gz PKOPZBPMRAVMCH-NXEZZACHSA-N -1 3 357.419 3.404 20 0 FGADHM COC1CCC(C[N-]S(=O)(=O)c2oc3ccc(F)cc3c2C)CC1 ZINC000472328541 502317951 /nfs/dbraw/zinc/31/79/51/502317951.db2.gz QPVSMDVQRZKJCO-UHFFFAOYSA-N -1 3 355.431 3.364 20 0 FGADHM CCc1cc(C(=O)NCCOc2ncccc2C(F)(F)F)ccc1[O-] ZINC000486986718 502323951 /nfs/dbraw/zinc/32/39/51/502323951.db2.gz YUVQOIFKJHKIPF-UHFFFAOYSA-N -1 3 354.328 3.177 20 0 FGADHM COC(=O)c1cc(Br)cc(C(=O)Nc2cc(F)ccc2[O-])c1 ZINC000462185299 502340247 /nfs/dbraw/zinc/34/02/47/502340247.db2.gz IBYHTGAUYDNZHH-UHFFFAOYSA-N -1 3 368.158 3.333 20 0 FGADHM O=C(Nc1cc(C(F)(F)F)ccc1[O-])[C@@H]1CCN(CC(F)(F)F)C1 ZINC000472425966 502348428 /nfs/dbraw/zinc/34/84/28/502348428.db2.gz LVHDMHVUVWMYPB-MRVPVSSYSA-N -1 3 356.266 3.234 20 0 FGADHM C[C@]1(C[N-]S(=O)(=O)c2cc(Cl)ccc2OCC2CCC2)CCOC1 ZINC000469262261 502354421 /nfs/dbraw/zinc/35/44/21/502354421.db2.gz LWZHJVAUSJLHMG-QGZVFWFLSA-N -1 3 373.902 3.224 20 0 FGADHM COCCOc1ccc(F)cc1S(=O)(=O)[N-][C@H]1CCC[C@H](C(C)C)C1 ZINC000469268021 502357111 /nfs/dbraw/zinc/35/71/11/502357111.db2.gz UHQJMKQGDWVFPZ-HOCLYGCPSA-N -1 3 373.490 3.344 20 0 FGADHM CC(C)Cn1cnc(S(=O)(=O)[N-][C@@H](C)c2c(F)cccc2Cl)c1 ZINC000487115582 502363562 /nfs/dbraw/zinc/36/35/62/502363562.db2.gz IJDFCAXGCQNZBZ-NSHDSACASA-N -1 3 359.854 3.371 20 0 FGADHM O=S(=O)([N-]C[C@H]1SCCc2ccccc21)c1cc(F)c(F)c(F)c1 ZINC000487117607 502364733 /nfs/dbraw/zinc/36/47/33/502364733.db2.gz PSVLFEBBJNYQPC-OAHLLOKOSA-N -1 3 373.421 3.413 20 0 FGADHM CC(C)Cn1cnc(S(=O)(=O)[N-]C[C@@H]2CCCC[C@@H]2C(F)(F)F)c1 ZINC000487139837 502369686 /nfs/dbraw/zinc/36/96/86/502369686.db2.gz WJQWWCKKLZTJPT-STQMWFEESA-N -1 3 367.437 3.186 20 0 FGADHM O=C(N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F)c1csc(=O)[n-]1 ZINC000472497422 502369742 /nfs/dbraw/zinc/36/97/42/502369742.db2.gz JKHIZDGBBUXXOH-VIFPVBQESA-N -1 3 368.283 3.484 20 0 FGADHM CCC(CC)(CC)CNC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000469320318 502374288 /nfs/dbraw/zinc/37/42/88/502374288.db2.gz WUVCKZCIXRCGKZ-UHFFFAOYSA-N -1 3 366.936 3.012 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)c1cnn(C)c1 ZINC000462331495 502396420 /nfs/dbraw/zinc/39/64/20/502396420.db2.gz CSSVNMZOSQPMKP-SSDOTTSWSA-N -1 3 368.673 3.420 20 0 FGADHM O=C(c1ncccc1[O-])N1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC000479853608 502398513 /nfs/dbraw/zinc/39/85/13/502398513.db2.gz QPXSCQYRRNCLTA-UHFFFAOYSA-N -1 3 365.477 3.448 20 0 FGADHM COc1cccc(O[C@@H](C)CNC(=O)CCCc2ccc([O-])c(F)c2)c1 ZINC000469407442 502404089 /nfs/dbraw/zinc/40/40/89/502404089.db2.gz FWJJYMXUXLUONM-AWEZNQCLSA-N -1 3 361.413 3.446 20 0 FGADHM COc1ccccc1-c1cc(=NC(=O)[C@@H](C(=O)OC(C)(C)C)C(C)C)[nH][n-]1 ZINC000592946349 506311218 /nfs/dbraw/zinc/31/12/18/506311218.db2.gz MTBPWKFGLAHVRI-KRWDZBQOSA-N -1 3 373.453 3.060 20 0 FGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)c1cc[nH]c1C1CCC1 ZINC000487307593 502414670 /nfs/dbraw/zinc/41/46/70/502414670.db2.gz QVBIILCKNUFAAF-UHFFFAOYSA-N -1 3 359.227 3.367 20 0 FGADHM CCc1cc(C(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)ccc1[O-] ZINC000487331590 502419536 /nfs/dbraw/zinc/41/95/36/502419536.db2.gz XYOMFCRCTCFXGF-UHFFFAOYSA-N -1 3 353.827 3.264 20 0 FGADHM CC[C@@H](C)c1nc([C@@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2OC)n[nH]1 ZINC000487342622 502422450 /nfs/dbraw/zinc/42/24/50/502422450.db2.gz GJJJSWRQCLGWBK-NXEZZACHSA-N -1 3 372.878 3.020 20 0 FGADHM Cc1cscc1C[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000487355650 502425512 /nfs/dbraw/zinc/42/55/12/502425512.db2.gz QPPUMVZYZITIIO-UHFFFAOYSA-N -1 3 364.261 3.437 20 0 FGADHM Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)NCc2nnc(C(F)(F)F)[n-]2)C1 ZINC000483546301 502428105 /nfs/dbraw/zinc/42/81/05/502428105.db2.gz VPBAYDQFSGGLLW-VXGBXAGGSA-N -1 3 367.375 3.220 20 0 FGADHM Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)NCc2n[n-]c(C(F)(F)F)n2)C1 ZINC000483546301 502428112 /nfs/dbraw/zinc/42/81/12/502428112.db2.gz VPBAYDQFSGGLLW-VXGBXAGGSA-N -1 3 367.375 3.220 20 0 FGADHM Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)NCc2nc(C(F)(F)F)n[n-]2)C1 ZINC000483546301 502428115 /nfs/dbraw/zinc/42/81/15/502428115.db2.gz VPBAYDQFSGGLLW-VXGBXAGGSA-N -1 3 367.375 3.220 20 0 FGADHM CO[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1F)c1ccc(Cl)cc1 ZINC000462422478 502432309 /nfs/dbraw/zinc/43/23/09/502432309.db2.gz ZAMJNZRINVPPIK-CQSZACIVSA-N -1 3 361.797 3.284 20 0 FGADHM O=C(N=c1[n-]nc(-c2ccccc2)s1)N1CCN(C2CCCCC2)CC1 ZINC000479964758 502432556 /nfs/dbraw/zinc/43/25/56/502432556.db2.gz NGSIULLWPAHPFT-UHFFFAOYSA-N -1 3 371.510 3.109 20 0 FGADHM CN(C)Cc1ccc(NC(=O)c2ccc3n[n-]nc3c2)cc1Br ZINC000469481580 502433707 /nfs/dbraw/zinc/43/37/07/502433707.db2.gz JILHUVFUVJDXQR-UHFFFAOYSA-N -1 3 374.242 3.034 20 0 FGADHM COC[C@H]([N-]S(=O)(=O)c1ccc(OC)cc1F)c1ccc(Cl)cc1 ZINC000487400961 502434201 /nfs/dbraw/zinc/43/42/01/502434201.db2.gz RBODMTRMUCZHOF-HNNXBMFYSA-N -1 3 373.833 3.154 20 0 FGADHM CCc1cc(C(=O)N2CCC(O)(Cc3cccc(C)c3)CC2)ccc1[O-] ZINC000487576008 502482221 /nfs/dbraw/zinc/48/22/21/502482221.db2.gz PAKOWXMPRMJMKD-UHFFFAOYSA-N -1 3 353.462 3.473 20 0 FGADHM COC(=O)c1cc(C)c(C)c(S(=O)(=O)[N-]c2cccc(F)c2F)c1 ZINC000476411659 502482347 /nfs/dbraw/zinc/48/23/47/502482347.db2.gz DCKOWGOEHKRATF-UHFFFAOYSA-N -1 3 355.362 3.169 20 0 FGADHM Cc1nc([N-]C(=O)c2cnns2)sc1Cc1ccc(F)cc1F ZINC000487583262 502485180 /nfs/dbraw/zinc/48/51/80/502485180.db2.gz OOKVLXBMIDJHTB-UHFFFAOYSA-N -1 3 352.391 3.424 20 0 FGADHM Cc1nccn1CCCCNC(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC000582594036 506316319 /nfs/dbraw/zinc/31/63/19/506316319.db2.gz XVYYOVLIWSNCEC-UHFFFAOYSA-N -1 3 358.829 3.309 20 0 FGADHM C[C@H](C[N-]S(=O)(=O)c1cc(F)cc(F)c1)Oc1ccc(Cl)cc1 ZINC000462569680 502489706 /nfs/dbraw/zinc/48/97/06/502489706.db2.gz HFALVPWTLSYYDX-SNVBAGLBSA-N -1 3 361.797 3.364 20 0 FGADHM Cc1cccc(-n2ncc(C(=O)[N-]c3nncs3)c2C(F)(F)F)c1 ZINC000487648309 502496961 /nfs/dbraw/zinc/49/69/61/502496961.db2.gz JUDYKBVTDWIRJU-UHFFFAOYSA-N -1 3 353.329 3.303 20 0 FGADHM CCc1cc(C(=O)N2CC[C@@H](C(=O)N(C)c3ccccc3)C2)ccc1[O-] ZINC000487657556 502499516 /nfs/dbraw/zinc/49/95/16/502499516.db2.gz XOZWUZORDKBBPB-QGZVFWFLSA-N -1 3 352.434 3.080 20 0 FGADHM C[C@@H](COCc1ccccc1)[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000462600039 502502009 /nfs/dbraw/zinc/50/20/09/502502009.db2.gz DUIZTUSIRMLQQA-LBPRGKRZSA-N -1 3 357.834 3.363 20 0 FGADHM Cc1cccc(F)c1S(=O)(=O)[N-]Cc1ccc(OC(C)(C)C)nc1 ZINC000476504736 502506978 /nfs/dbraw/zinc/50/69/78/502506978.db2.gz KHRCKJLCRBETGS-UHFFFAOYSA-N -1 3 352.431 3.185 20 0 FGADHM CCc1c([N-]S(=O)(=O)N(CC)CC)cnn1-c1ccc(Cl)cc1 ZINC000480243496 502511834 /nfs/dbraw/zinc/51/18/34/502511834.db2.gz VPDAUQVPXOYSJP-UHFFFAOYSA-N -1 3 356.879 3.087 20 0 FGADHM COc1ccc(CNC(=O)C2CCN(Cc3cc([O-])cc(F)c3)CC2)cc1 ZINC000473133306 502524663 /nfs/dbraw/zinc/52/46/63/502524663.db2.gz QRILRFJBNGCIHT-UHFFFAOYSA-N -1 3 372.440 3.068 20 0 FGADHM CNC(=O)CN(Cc1cccc(C(F)(F)F)c1)Cc1cc([O-])cc(F)c1 ZINC000473140037 502526897 /nfs/dbraw/zinc/52/68/97/502526897.db2.gz QZKYORXVLVCWQL-UHFFFAOYSA-N -1 3 370.346 3.298 20 0 FGADHM CC[C@@H](CS(=O)(=O)c1ccccc1)NC(=O)c1cc([O-])ccc1Cl ZINC000487774101 502526838 /nfs/dbraw/zinc/52/68/38/502526838.db2.gz QTHYPYSEPJLOKI-LBPRGKRZSA-N -1 3 367.854 3.028 20 0 FGADHM CCOc1nc2cc(C(=O)N[C@H](C)CC(=O)c3ccccc3)ccc2[n-]1 ZINC000469740894 502528255 /nfs/dbraw/zinc/52/82/55/502528255.db2.gz FIGBXVDKHPCGAM-CYBMUJFWSA-N -1 3 351.406 3.353 20 0 FGADHM CCOc1nc2ccc(C(=O)N[C@H](C)CC(=O)c3ccccc3)cc2[n-]1 ZINC000469740894 502528258 /nfs/dbraw/zinc/52/82/58/502528258.db2.gz FIGBXVDKHPCGAM-CYBMUJFWSA-N -1 3 351.406 3.353 20 0 FGADHM C[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1Cl)Oc1ccccc1F ZINC000462698302 502538114 /nfs/dbraw/zinc/53/81/14/502538114.db2.gz FCRYCKSATRFCSD-SNVBAGLBSA-N -1 3 361.797 3.364 20 0 FGADHM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)CC1CC(c2ccccc2)C1 ZINC000466333932 502540319 /nfs/dbraw/zinc/54/03/19/502540319.db2.gz XDXMZUUVVZJBLJ-UHFFFAOYSA-N -1 3 370.405 3.110 20 0 FGADHM CO[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000462717385 502547233 /nfs/dbraw/zinc/54/72/33/502547233.db2.gz APHVDBUNQXINSU-NWDGAFQWSA-N -1 3 355.353 3.080 20 0 FGADHM C[C@H](O)C[C@@H](C[N-]S(=O)(=O)c1cccc(Cl)c1F)c1ccccc1 ZINC000469804536 502551031 /nfs/dbraw/zinc/55/10/31/502551031.db2.gz PFYNSMQOFYSSPT-JSGCOSHPSA-N -1 3 371.861 3.312 20 0 FGADHM Cn1cc(NC(=O)c2ccc(C(=O)c3cccc([O-])c3)cc2)c(C2CC2)n1 ZINC000462728290 502552588 /nfs/dbraw/zinc/55/25/88/502552588.db2.gz ZLZMQYHJTRUMON-UHFFFAOYSA-N -1 3 361.401 3.486 20 0 FGADHM Cn1cnc(-c2cccc(NC(=O)CCCc3ccc([O-])c(F)c3)c2)n1 ZINC000469815406 502555585 /nfs/dbraw/zinc/55/55/85/502555585.db2.gz DWTVQFLMCIWWCA-UHFFFAOYSA-N -1 3 354.385 3.288 20 0 FGADHM Cc1ccc(CS(=O)(=O)[N-]C[C@H]2CSc3ccccc3O2)c(F)c1 ZINC000582603838 506321304 /nfs/dbraw/zinc/32/13/04/506321304.db2.gz XYYCAIZPXYWRIF-AWEZNQCLSA-N -1 3 367.467 3.107 20 0 FGADHM CCc1c([N-]C(=O)c2cnc(-c3cnn(C)c3)s2)onc1C(F)(F)F ZINC000476712401 502570194 /nfs/dbraw/zinc/57/01/94/502570194.db2.gz DXMKOGDQIIOWHO-UHFFFAOYSA-N -1 3 371.344 3.365 20 0 FGADHM CCOc1nc2cc(C(=O)N[C@H](C)[C@H]3COc4ccccc43)ccc2[n-]1 ZINC000469898046 502589369 /nfs/dbraw/zinc/58/93/69/502589369.db2.gz GBOKBWIWMGDEOO-IUODEOHRSA-N -1 3 351.406 3.256 20 0 FGADHM CCOc1nc2ccc(C(=O)N[C@H](C)[C@H]3COc4ccccc43)cc2[n-]1 ZINC000469898046 502589373 /nfs/dbraw/zinc/58/93/73/502589373.db2.gz GBOKBWIWMGDEOO-IUODEOHRSA-N -1 3 351.406 3.256 20 0 FGADHM Fc1cccc(COc2ccc(N=c3ncnc4[nH][n-]cc3-4)cc2F)c1 ZINC000488014833 502600853 /nfs/dbraw/zinc/60/08/53/502600853.db2.gz ONBFFVNWQGEVFW-UHFFFAOYSA-N -1 3 353.332 3.327 20 0 FGADHM COC[C@H]1CCCCN(C(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)C1 ZINC000466637411 502628933 /nfs/dbraw/zinc/62/89/33/502628933.db2.gz KOYSNVNHNGLOBY-HNNXBMFYSA-N -1 3 370.453 3.438 20 0 FGADHM CC(C)Oc1ccc(NC(=O)NCc2nnc(C(F)(F)F)[n-]2)c(F)c1 ZINC000480637888 502629157 /nfs/dbraw/zinc/62/91/57/502629157.db2.gz QAXQWKNZHUCFTB-UHFFFAOYSA-N -1 3 361.299 3.072 20 0 FGADHM CC(C)Oc1ccc(NC(=O)NCc2n[n-]c(C(F)(F)F)n2)c(F)c1 ZINC000480637888 502629162 /nfs/dbraw/zinc/62/91/62/502629162.db2.gz QAXQWKNZHUCFTB-UHFFFAOYSA-N -1 3 361.299 3.072 20 0 FGADHM CC(C)Oc1ccc(NC(=O)NCc2nc(C(F)(F)F)n[n-]2)c(F)c1 ZINC000480637888 502629168 /nfs/dbraw/zinc/62/91/68/502629168.db2.gz QAXQWKNZHUCFTB-UHFFFAOYSA-N -1 3 361.299 3.072 20 0 FGADHM O=C(Nc1ccc2nc(N3CCOCC3)oc2c1)c1cc([O-])ccc1Cl ZINC000480674992 502638154 /nfs/dbraw/zinc/63/81/54/502638154.db2.gz JLKMUFRWNYAJGS-UHFFFAOYSA-N -1 3 373.796 3.276 20 0 FGADHM COc1ccc(S(=O)(=O)[N-][C@@H]2CCCOc3c(F)cccc32)c(F)c1 ZINC000480675815 502638244 /nfs/dbraw/zinc/63/82/44/502638244.db2.gz AGYQJJNMCIHHKB-OAHLLOKOSA-N -1 3 369.389 3.166 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)c3cnc4c(F)cccc4c3)[n-]c21 ZINC000484412750 502640453 /nfs/dbraw/zinc/64/04/53/502640453.db2.gz AQLBNZWIFQNFPS-UHFFFAOYSA-N -1 3 364.336 3.289 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cnc4c(F)cccc4c3)nc21 ZINC000484412750 502640460 /nfs/dbraw/zinc/64/04/60/502640460.db2.gz AQLBNZWIFQNFPS-UHFFFAOYSA-N -1 3 364.336 3.289 20 0 FGADHM COc1ccc(S(=O)(=O)[N-][C@H](C)c2ccc3ncsc3c2)c(F)c1 ZINC000480715234 502652259 /nfs/dbraw/zinc/65/22/59/502652259.db2.gz SBTULTZCUBLCOA-SNVBAGLBSA-N -1 3 366.439 3.484 20 0 FGADHM Cc1cccc(C[C@@H](CO)[N-]S(=O)(=O)c2cccc(Cl)c2Cl)c1 ZINC000466726938 502656455 /nfs/dbraw/zinc/65/64/55/502656455.db2.gz MIBKXEAIOMVEHS-ZDUSSCGKSA-N -1 3 374.289 3.184 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]C[C@H](C)Oc2ccccc2Cl)c(F)c1 ZINC000480737154 502657749 /nfs/dbraw/zinc/65/77/49/502657749.db2.gz NOHVZWWHEHLKCY-NSHDSACASA-N -1 3 373.833 3.234 20 0 FGADHM CC[C@@H](C)N(C)CC[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000473854588 502725828 /nfs/dbraw/zinc/72/58/28/502725828.db2.gz PFTCBYOXXCAKSX-SECBINFHSA-N -1 3 357.278 3.141 20 0 FGADHM CCOc1ccc(C(C)(C)C(=O)NCc2ncccc2[O-])cc1OCC ZINC000473631056 502660587 /nfs/dbraw/zinc/66/05/87/502660587.db2.gz VKWHPDWJVKZWAE-UHFFFAOYSA-N -1 3 358.438 3.179 20 0 FGADHM C[C@@H]1Cc2ccccc2N1Cc1ccoc1C(=O)NCc1ncccc1[O-] ZINC000473634344 502661272 /nfs/dbraw/zinc/66/12/72/502661272.db2.gz SGAAKWBGLXIWOI-CQSZACIVSA-N -1 3 363.417 3.261 20 0 FGADHM Cc1nc(Cc2ccc(F)cc2)sc1C(=O)NCc1ncccc1[O-] ZINC000473636828 502662194 /nfs/dbraw/zinc/66/21/94/502662194.db2.gz SJLDQOOMHYPOHG-UHFFFAOYSA-N -1 3 357.410 3.212 20 0 FGADHM O=C(NCc1ncccc1[O-])c1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000473636884 502662415 /nfs/dbraw/zinc/66/24/15/502662415.db2.gz HWHFVQNEZMBANU-UHFFFAOYSA-N -1 3 365.364 3.109 20 0 FGADHM Cc1ccccc1C[C@H](CO)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000466748431 502663529 /nfs/dbraw/zinc/66/35/29/502663529.db2.gz XQIDFJSNCBZRHA-CQSZACIVSA-N -1 3 374.289 3.184 20 0 FGADHM CC(C)Oc1cc(Br)cc(C(=O)NCc2ncccc2[O-])c1 ZINC000473644945 502665571 /nfs/dbraw/zinc/66/55/71/502665571.db2.gz SLARNJSJIVLZPZ-UHFFFAOYSA-N -1 3 365.227 3.267 20 0 FGADHM O=C(NCc1ncccc1[O-])c1ccc(-c2ccc3c(c2)OCCO3)s1 ZINC000473642847 502666038 /nfs/dbraw/zinc/66/60/38/502666038.db2.gz YCDLUAGMKGVEBQ-UHFFFAOYSA-N -1 3 368.414 3.217 20 0 FGADHM COC(=O)c1[n-]c(=N[C@@H]2C[C@H]2c2ccc(OC(F)F)cc2)sc1C ZINC000480776806 502668453 /nfs/dbraw/zinc/66/84/53/502668453.db2.gz GFSOBYOQBURWKJ-NWDGAFQWSA-N -1 3 354.378 3.229 20 0 FGADHM CC(C)c1csc(C[N-]S(=O)(=O)c2cnc3ccsc3c2)n1 ZINC000477134947 502686780 /nfs/dbraw/zinc/68/67/80/502686780.db2.gz IVFLHDUUEPECQF-UHFFFAOYSA-N -1 3 353.494 3.355 20 0 FGADHM COc1nn(C)cc1[N-]c1nn2cc(-c3ccc(Cl)cc3)nc2s1 ZINC000473725951 502686889 /nfs/dbraw/zinc/68/68/89/502686889.db2.gz PWQZWLOPTSNKOW-UHFFFAOYSA-N -1 3 360.830 3.019 20 0 FGADHM CCc1cc(C(=O)N[C@@H](C)[C@H](Cc2ccccc2)C(=O)OC)ccc1[O-] ZINC000488355088 502691262 /nfs/dbraw/zinc/69/12/62/502691262.db2.gz RFRZCRVUHHDXRC-KSSFIOAISA-N -1 3 355.434 3.105 20 0 FGADHM CCC[C@H](NC(=O)c1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1)C1CCCCC1 ZINC000480874043 502695454 /nfs/dbraw/zinc/69/54/54/502695454.db2.gz CURJUOJNFMEKEK-UWJYYQICSA-N -1 3 371.481 3.220 20 0 FGADHM CC(C)[C@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C(C)(C)O ZINC000480890509 502698703 /nfs/dbraw/zinc/69/87/03/502698703.db2.gz SGXHNQWTONBXCV-LBPRGKRZSA-N -1 3 373.824 3.433 20 0 FGADHM CCc1[n-][nH]c(=NC(=O)c2cc(Br)cc3cccnc32)c1C ZINC000477187703 502702867 /nfs/dbraw/zinc/70/28/67/502702867.db2.gz DSNZQPGEXXEBRF-UHFFFAOYSA-N -1 3 359.227 3.265 20 0 FGADHM CO[C@]1(C)C[C@H]([N-]S(=O)(=O)c2ccccc2C(F)(F)F)C1(C)C ZINC000466860795 502706193 /nfs/dbraw/zinc/70/61/93/502706193.db2.gz GORRZGDVGIBIQX-GXTWGEPZSA-N -1 3 351.390 3.187 20 0 FGADHM CO[C@H](C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C(C)C ZINC000466869924 502708529 /nfs/dbraw/zinc/70/85/29/502708529.db2.gz GGZCIOWVYOBCMQ-LLVKDONJSA-N -1 3 359.797 3.308 20 0 FGADHM CCOC(=O)[C@H](C)N(Cc1ccc(OC)c([O-])c1Br)C1CC1 ZINC000470248546 502716934 /nfs/dbraw/zinc/71/69/34/502716934.db2.gz ZWZGCTLCJJYWAU-JTQLQIEISA-N -1 3 372.259 3.079 20 0 FGADHM CCCCOc1cc(OC)ccc1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000470263844 502719822 /nfs/dbraw/zinc/71/98/22/502719822.db2.gz OPXJNORUWRPCSL-UHFFFAOYSA-N -1 3 367.409 3.307 20 0 FGADHM CCCCOc1cc(OC)ccc1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000470263844 502719827 /nfs/dbraw/zinc/71/98/27/502719827.db2.gz OPXJNORUWRPCSL-UHFFFAOYSA-N -1 3 367.409 3.307 20 0 FGADHM Cc1ccc(C(=O)CCCCC(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)cc1 ZINC000473848921 502723737 /nfs/dbraw/zinc/72/37/37/502723737.db2.gz IGKFYZDDBHKGNS-SFHVURJKSA-N -1 3 355.438 3.373 20 0 FGADHM O=C(CCC(=O)c1csc2ccccc12)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000473851852 502725111 /nfs/dbraw/zinc/72/51/11/502725111.db2.gz CQTUJFBLXFDGAW-INIZCTEOSA-N -1 3 369.446 3.499 20 0 FGADHM Cc1c(C(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)cnn1-c1ccccc1Cl ZINC000473853783 502726065 /nfs/dbraw/zinc/72/60/65/502726065.db2.gz IOWRUTFZDCOXFN-MRXNPFEDSA-N -1 3 371.828 3.083 20 0 FGADHM COc1ccc(S(=O)(=O)[N-][C@H](c2ncccc2C)C(C)C)c(F)c1 ZINC000481006630 502726287 /nfs/dbraw/zinc/72/62/87/502726287.db2.gz CMLLTFYBJOGSPL-INIZCTEOSA-N -1 3 352.431 3.213 20 0 FGADHM COc1ccc(S(=O)(=O)[N-][C@@H]2CCCOc3ccc(F)cc32)c(F)c1 ZINC000481060708 502744601 /nfs/dbraw/zinc/74/46/01/502744601.db2.gz ZWNFMQKNTLGSGD-OAHLLOKOSA-N -1 3 369.389 3.166 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]CCN(C)Cc2ccccc2)sc1Cl ZINC000473919745 502749757 /nfs/dbraw/zinc/74/97/57/502749757.db2.gz PHAKYZYKYNOHSY-UHFFFAOYSA-N -1 3 358.916 3.120 20 0 FGADHM Cc1cnccc1C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000473924462 502751252 /nfs/dbraw/zinc/75/12/52/502751252.db2.gz UWTDUZUDLSZKQA-UHFFFAOYSA-N -1 3 373.356 3.033 20 0 FGADHM O=C([N-]c1nnc(-c2cc3ccccc3o2)s1)c1cnn2cccnc12 ZINC000470371182 502753267 /nfs/dbraw/zinc/75/32/67/502753267.db2.gz CYNGZBJBDNAJOJ-UHFFFAOYSA-N -1 3 362.374 3.246 20 0 FGADHM CCc1cc(=O)[n-]c(CSCc2nnc(-c3ccc(OC)cc3)o2)n1 ZINC000477364621 502755854 /nfs/dbraw/zinc/75/58/54/502755854.db2.gz NJNWURKYNJUKQO-UHFFFAOYSA-N -1 3 358.423 3.237 20 0 FGADHM CCCC(O)(CCC)CNC(=O)Cc1ccc(Br)cc1[O-] ZINC000477365055 502755965 /nfs/dbraw/zinc/75/59/65/502755965.db2.gz IONGBXZQEULEDN-UHFFFAOYSA-N -1 3 358.276 3.145 20 0 FGADHM CS(=O)(=O)[N-]c1ccc(C(=O)NC2(c3ccc(Cl)cc3)CC2)cc1 ZINC000484860348 502757215 /nfs/dbraw/zinc/75/72/15/502757215.db2.gz DNLOZUVNRTWLLF-UHFFFAOYSA-N -1 3 364.854 3.131 20 0 FGADHM C[S@@](=O)c1ccc(NC(=O)Cc2ccc(Br)cc2[O-])cc1 ZINC000477383460 502760884 /nfs/dbraw/zinc/76/08/84/502760884.db2.gz WPWUKXLKVVYOBL-OAQYLSRUSA-N -1 3 368.252 3.073 20 0 FGADHM CC[C@H](OC1CCCC1)C(=O)N=c1nc(-c2ccccc2Cl)[n-]n1C ZINC000484896818 502768237 /nfs/dbraw/zinc/76/82/37/502768237.db2.gz VCJJTZRMHZDGFF-HNNXBMFYSA-N -1 3 362.861 3.234 20 0 FGADHM CC(=O)c1cc(F)c([N-]S(=O)(=O)CCc2ccccc2)c(F)c1F ZINC000463373651 502774151 /nfs/dbraw/zinc/77/41/51/502774151.db2.gz CXOXJBLPFNETPY-UHFFFAOYSA-N -1 3 357.353 3.291 20 0 FGADHM C[C@@H](CNC(=O)NCc1ccc([O-])c(Br)c1)C(F)(F)F ZINC000477513608 502794667 /nfs/dbraw/zinc/79/46/67/502794667.db2.gz AJKJUARQBWFRIM-ZETCQYMHSA-N -1 3 355.154 3.152 20 0 FGADHM CC[C@@H](C)N(C)CCNC(=O)N=c1[n-]nc(-c2cc3ccccc3o2)s1 ZINC000470511599 502800481 /nfs/dbraw/zinc/80/04/81/502800481.db2.gz PQKNDCBHHVDVIE-GFCCVEGCSA-N -1 3 373.482 3.225 20 0 FGADHM COC(=O)[C@H](NC(=O)Cc1ccc([O-])cc1Cl)c1ccc(Cl)cc1 ZINC000509142587 502831650 /nfs/dbraw/zinc/83/16/50/502831650.db2.gz WEJMRAUBQWCAHQ-MRXNPFEDSA-N -1 3 368.216 3.272 20 0 FGADHM O=C(NC1(c2noc([C@@H]3CCOC3)n2)CCCCCC1)c1cccc([O-])c1 ZINC000509162101 502836949 /nfs/dbraw/zinc/83/69/49/502836949.db2.gz BMPPDGYQHYKXIA-OAHLLOKOSA-N -1 3 371.437 3.259 20 0 FGADHM CCOC(=O)c1ccc(NC(=O)[C@H]2COc3ccc(Cl)cc32)c([O-])c1 ZINC000488939220 502842410 /nfs/dbraw/zinc/84/24/10/502842410.db2.gz IJBSNAKMEFEKSC-ZDUSSCGKSA-N -1 3 361.781 3.337 20 0 FGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]C1(c2ccccc2)CC1 ZINC000513099417 502851719 /nfs/dbraw/zinc/85/17/19/502851719.db2.gz VMIQGMCKBJMCKQ-UHFFFAOYSA-N -1 3 365.838 3.094 20 0 FGADHM COc1c(C)cc(C)cc1S(=O)(=O)[N-]c1cc(CN(C)C)ccc1C ZINC000509246853 502858881 /nfs/dbraw/zinc/85/88/81/502858881.db2.gz JHLJAMPNOVPETN-UHFFFAOYSA-N -1 3 362.495 3.483 20 0 FGADHM Cc1ncc(CNC(=O)N[C@@H](C)c2cc(Cl)ccc2Cl)c(=O)[n-]1 ZINC000489075289 502873844 /nfs/dbraw/zinc/87/38/44/502873844.db2.gz CUKCEYNDMNXQDX-QMMMGPOBSA-N -1 3 355.225 3.358 20 0 FGADHM COc1nnc(NC(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)o2)[n-]1 ZINC000496197082 502878666 /nfs/dbraw/zinc/87/86/66/502878666.db2.gz MHXSZGSLMSTTKM-UHFFFAOYSA-N -1 3 352.272 3.344 20 0 FGADHM COc1nc(NC(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)o2)n[n-]1 ZINC000496197082 502878667 /nfs/dbraw/zinc/87/86/67/502878667.db2.gz MHXSZGSLMSTTKM-UHFFFAOYSA-N -1 3 352.272 3.344 20 0 FGADHM COc1n[n-]c(NC(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)o2)n1 ZINC000496197082 502878671 /nfs/dbraw/zinc/87/86/71/502878671.db2.gz MHXSZGSLMSTTKM-UHFFFAOYSA-N -1 3 352.272 3.344 20 0 FGADHM COc1ccc(OCCS(=O)(=O)[N-]c2cccc(-n3cccc3)c2)cc1 ZINC000509397267 502892109 /nfs/dbraw/zinc/89/21/09/502892109.db2.gz RYFMSRFNVTVCPS-UHFFFAOYSA-N -1 3 372.446 3.307 20 0 FGADHM O=C(Nc1cc(Br)ccc1[O-])[C@@H](O)CCc1ccccc1 ZINC000496642513 502897150 /nfs/dbraw/zinc/89/71/50/502897150.db2.gz JMJJBPZWJCBHNX-HNNXBMFYSA-N -1 3 350.212 3.087 20 0 FGADHM Cc1ccc2c(c1C)OC[C@H]2[N-]S(=O)(=O)Cc1c(F)cccc1F ZINC000500968730 502901733 /nfs/dbraw/zinc/90/17/33/502901733.db2.gz SZXFOBRYNGYQSH-MRXNPFEDSA-N -1 3 353.390 3.135 20 0 FGADHM O=C(Nc1n[n-]c(-c2ccccc2F)n1)[C@@H]1CCC(=O)c2ccccc21 ZINC000497075447 502919471 /nfs/dbraw/zinc/91/94/71/502919471.db2.gz ADEMVNIFYYBKNJ-CYBMUJFWSA-N -1 3 350.353 3.310 20 0 FGADHM O=C(NCC1CC1)c1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000509574014 502938653 /nfs/dbraw/zinc/93/86/53/502938653.db2.gz WTICMIQUWCNXRR-UHFFFAOYSA-N -1 3 364.854 3.281 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-]CCn1ccc2cc(Cl)ccc21 ZINC000509579889 502940581 /nfs/dbraw/zinc/94/05/81/502940581.db2.gz NZIBMDHKMVRLMC-UHFFFAOYSA-N -1 3 370.883 3.343 20 0 FGADHM Cc1cccc(CCC[N-]S(=O)(=O)c2cc(C)c(F)cc2Cl)n1 ZINC000509589271 502943051 /nfs/dbraw/zinc/94/30/51/502943051.db2.gz VABKBMSDVMBKOZ-UHFFFAOYSA-N -1 3 356.850 3.402 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCO3)cc1Cl ZINC000509590511 502943124 /nfs/dbraw/zinc/94/31/24/502943124.db2.gz MMOMZJJHTDLSHT-UHFFFAOYSA-N -1 3 353.827 3.474 20 0 FGADHM 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COc1ccc(OC2CCN(C(=O)Cc3ccc([O-])c(F)c3)CC2)cc1 ZINC000515204910 503292480 /nfs/dbraw/zinc/29/24/80/503292480.db2.gz GNJYMOOUMYSLCD-UHFFFAOYSA-N -1 3 359.397 3.152 20 0 FGADHM CCCOc1ccc(C(=O)N=c2cc(-c3ccncc3)[n-][nH]2)cc1OCC ZINC000502985444 503318944 /nfs/dbraw/zinc/31/89/44/503318944.db2.gz QAZNSTUXDGXPTO-UHFFFAOYSA-N -1 3 366.421 3.333 20 0 FGADHM O=S(=O)([N-]CCn1cccc1)c1cc(Cl)ccc1OCCC1CC1 ZINC000491590100 503322310 /nfs/dbraw/zinc/32/23/10/503322310.db2.gz XIOLXMROGCWVSS-UHFFFAOYSA-N -1 3 368.886 3.299 20 0 FGADHM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]CC1(C(F)(F)F)CCC1 ZINC000511438099 503322334 /nfs/dbraw/zinc/32/23/34/503322334.db2.gz RPMUVCMBPDVHBH-UHFFFAOYSA-N -1 3 367.437 3.167 20 0 FGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCc3ccccc32)c(Cl)c1 ZINC000507568115 503324226 /nfs/dbraw/zinc/32/42/26/503324226.db2.gz QBOQLAJRDFOLBK-OAHLLOKOSA-N -1 3 365.838 3.092 20 0 FGADHM Cc1noc2ncc(S(=O)(=O)[N-]c3cc(C)c(F)cc3Cl)cc12 ZINC000507579419 503326360 /nfs/dbraw/zinc/32/63/60/503326360.db2.gz 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ZINC000499217684 503357835 /nfs/dbraw/zinc/35/78/35/503357835.db2.gz WBFSQVWGCYDNKP-UHFFFAOYSA-N -1 3 370.482 3.103 20 0 FGADHM Cc1nc(COc2ccc(CNC3(c4nnn[n-]4)CCCC3)cc2)cs1 ZINC000499217684 503357837 /nfs/dbraw/zinc/35/78/37/503357837.db2.gz WBFSQVWGCYDNKP-UHFFFAOYSA-N -1 3 370.482 3.103 20 0 FGADHM O=C(CNC(=O)c1ccc([O-])cc1)N[C@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000515611414 503373203 /nfs/dbraw/zinc/37/32/03/503373203.db2.gz CXKFKEINLKMXOD-RDJZCZTQSA-N -1 3 372.852 3.228 20 0 FGADHM Cc1ccccc1[C@H](NC(=O)c1cn(C)c(=O)[n-]c1=O)[C@H]1CCC[C@H](C)C1 ZINC000499320960 503380076 /nfs/dbraw/zinc/38/00/76/503380076.db2.gz NAVHSVXQJDQKRW-DHSIGJKJSA-N -1 3 369.465 3.092 20 0 FGADHM Cc1cc(OC(C)C)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CC(=O)N2C ZINC000515695315 503386028 /nfs/dbraw/zinc/38/60/28/503386028.db2.gz KHTHKLNNSOLNKZ-UHFFFAOYSA-N -1 3 374.462 3.102 20 0 FGADHM Cn1ncc2c1ncc(C(=O)N[C@@H]1CCSc3ccc(Cl)cc31)c2[O-] ZINC000511907904 503412809 /nfs/dbraw/zinc/41/28/09/503412809.db2.gz DMCKFOHVBIFRDD-CYBMUJFWSA-N -1 3 374.853 3.294 20 0 FGADHM CCCN(C(=O)c1cnc2c(cnn2C)c1[O-])[C@@H](C)c1ccccc1OC ZINC000511915313 503414624 /nfs/dbraw/zinc/41/46/24/503414624.db2.gz GARMCWRSZRHCAP-ZDUSSCGKSA-N -1 3 368.437 3.296 20 0 FGADHM CCOC(=O)[C@H]1CCCc2sc([N-]C(=O)c3ncc(F)cc3F)nc21 ZINC000493457041 503428407 /nfs/dbraw/zinc/42/84/07/503428407.db2.gz AHAKYNKHOAYSQF-VIFPVBQESA-N -1 3 367.377 3.052 20 0 FGADHM CN(C)Cc1ccc(S(=O)(=O)[N-]c2ncc(-c3ccccn3)s2)cc1 ZINC000508092954 503428926 /nfs/dbraw/zinc/42/89/26/503428926.db2.gz FPAZGSWUKWLFHV-UHFFFAOYSA-N -1 3 374.491 3.068 20 0 FGADHM COC(=O)c1ccc([N-]S(=O)(=O)Cc2cc(C)cc(C)c2)c(F)c1 ZINC000508095017 503430041 /nfs/dbraw/zinc/43/00/41/503430041.db2.gz MGNITHZOHVIRGE-UHFFFAOYSA-N -1 3 351.399 3.171 20 0 FGADHM O=S(=O)([N-]c1cncc(Cl)c1Br)c1ccsc1 ZINC000508113264 503433889 /nfs/dbraw/zinc/43/38/89/503433889.db2.gz RPKUKGLMODQAPG-UHFFFAOYSA-N -1 3 353.650 3.360 20 0 FGADHM COC(=O)c1ccc([N-]S(=O)(=O)Cc2ccccc2Cl)c(F)c1 ZINC000508142594 503440511 /nfs/dbraw/zinc/44/05/11/503440511.db2.gz LQQDFKOENJNOKP-UHFFFAOYSA-N -1 3 357.790 3.208 20 0 FGADHM COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CCC[C@@H]1C ZINC000499700942 503461968 /nfs/dbraw/zinc/46/19/68/503461968.db2.gz ASYWCCQLTDOTQX-JSGCOSHPSA-N -1 3 361.891 3.222 20 0 FGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCN3CCCC[C@@H]23)c1Cl ZINC000516179645 503464467 /nfs/dbraw/zinc/46/44/67/503464467.db2.gz DZWDWXXVGNSEKT-STQMWFEESA-N -1 3 363.310 3.207 20 0 FGADHM CC(C)(COCc1ccccc1)[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000499744680 503472665 /nfs/dbraw/zinc/47/26/65/503472665.db2.gz VUYTYKOUVKLXEQ-UHFFFAOYSA-N -1 3 355.406 3.239 20 0 FGADHM COc1ccc(-c2csc3[n-]c(Cc4cncn4C)nc(=O)c23)cc1 ZINC000494005386 503473384 /nfs/dbraw/zinc/47/33/84/503473384.db2.gz YSYZEOBARCPLOG-UHFFFAOYSA-N -1 3 352.419 3.397 20 0 FGADHM C[C@@H](Cc1ccccc1C(F)(F)F)[N-]S(=O)(=O)c1cncc(F)c1 ZINC000503822499 503475395 /nfs/dbraw/zinc/47/53/95/503475395.db2.gz ATTPTPODFPLWOU-JTQLQIEISA-N -1 3 362.348 3.149 20 0 FGADHM O=S(=O)([N-][C@@H](c1ccccc1)c1ccc(F)cc1)c1cncc(F)c1 ZINC000588903946 506374155 /nfs/dbraw/zinc/37/41/55/506374155.db2.gz DIITWEQIHIVGDA-SFHVURJKSA-N -1 3 360.385 3.428 20 0 FGADHM O=S(=O)([N-]CCC1CCOCC1)c1ccc(Cl)cc1C(F)(F)F ZINC000512193281 503482435 /nfs/dbraw/zinc/48/24/35/503482435.db2.gz SRFNBCIIDKPMEZ-UHFFFAOYSA-N -1 3 371.808 3.454 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)CCc3ccnc4ccccc34)[n-]c21 ZINC000494081951 503484705 /nfs/dbraw/zinc/48/47/05/503484705.db2.gz QJKPFPDKMDVFMD-UHFFFAOYSA-N -1 3 374.400 3.469 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)CCc3ccnc4ccccc34)nc21 ZINC000494081951 503484711 /nfs/dbraw/zinc/48/47/11/503484711.db2.gz QJKPFPDKMDVFMD-UHFFFAOYSA-N -1 3 374.400 3.469 20 0 FGADHM Cc1cc2n[nH]cc2cc1NC(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000508450789 503496540 /nfs/dbraw/zinc/49/65/40/503496540.db2.gz ASZYJRNKPHPHKO-UHFFFAOYSA-N -1 3 354.316 3.243 20 0 FGADHM Cc1cc2n[nH]cc2cc1NC(=O)c1cnc2c(F)cc(F)cc2c1[O-] ZINC000508450789 503496544 /nfs/dbraw/zinc/49/65/44/503496544.db2.gz ASZYJRNKPHPHKO-UHFFFAOYSA-N -1 3 354.316 3.243 20 0 FGADHM CCCCOc1ccc(CNC(=O)c2cc(F)cc3nn[n-]c32)cc1OC ZINC000503991149 503506299 /nfs/dbraw/zinc/50/62/99/503506299.db2.gz PUHXVOGVSFEUIO-UHFFFAOYSA-N -1 3 372.400 3.215 20 0 FGADHM CCCCOc1ccc(CNC(=O)c2cc(F)cc3[n-]nnc32)cc1OC ZINC000503991149 503506303 /nfs/dbraw/zinc/50/63/03/503506303.db2.gz PUHXVOGVSFEUIO-UHFFFAOYSA-N -1 3 372.400 3.215 20 0 FGADHM CCCCOc1ccc(CNC(=O)c2cc(F)cc3n[n-]nc32)cc1OC ZINC000503991149 503506306 /nfs/dbraw/zinc/50/63/06/503506306.db2.gz PUHXVOGVSFEUIO-UHFFFAOYSA-N -1 3 372.400 3.215 20 0 FGADHM CCc1ccc([O-])c(C(=O)N2CCN([C@H](C)c3cccc(OC)c3)CC2)c1 ZINC000508543151 503516770 /nfs/dbraw/zinc/51/67/70/503516770.db2.gz UEDQRTQEQCXWEQ-MRXNPFEDSA-N -1 3 368.477 3.482 20 0 FGADHM O=C([N-]c1n[nH]c(-c2ccccc2Cl)n1)c1cnc2ccccc2n1 ZINC000504121522 503526506 /nfs/dbraw/zinc/52/65/06/503526506.db2.gz TYJBBUFHKOUGIG-UHFFFAOYSA-N -1 3 350.769 3.321 20 0 FGADHM CC(C)=CCSc1ccccc1C(=O)N1CCc2c(=O)[n-]cnc2C1 ZINC000504136858 503528830 /nfs/dbraw/zinc/52/88/30/503528830.db2.gz CXWKKVOLFDZLDN-UHFFFAOYSA-N -1 3 355.463 3.439 20 0 FGADHM Cc1nc(S(=O)(=O)[N-][C@H]2CCc3ccc(-c4ccccc4)cc32)cn1C ZINC000494347998 503528963 /nfs/dbraw/zinc/52/89/63/503528963.db2.gz LHQXSZSGIYCVNV-IBGZPJMESA-N -1 3 367.474 3.361 20 0 FGADHM CC(C)(C(=O)Nc1cc(F)ccc1[O-])S(=O)(=O)c1ccc(Cl)cc1 ZINC000499994558 503529768 /nfs/dbraw/zinc/52/97/68/503529768.db2.gz YDTAUDURFKSPRR-UHFFFAOYSA-N -1 3 371.817 3.376 20 0 FGADHM O=C(Cc1ccc(Br)cc1[O-])N1CCC[C@H](C(F)(F)F)C1 ZINC000512410086 503541344 /nfs/dbraw/zinc/54/13/44/503541344.db2.gz QLNGOLXWSKZJET-JTQLQIEISA-N -1 3 366.177 3.498 20 0 FGADHM O=C(Nc1cccc2c1OCCC2=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000504320768 503555473 /nfs/dbraw/zinc/55/54/73/503555473.db2.gz JDBZRDQGFMNKLQ-UHFFFAOYSA-N -1 3 370.311 3.024 20 0 FGADHM O=C(Nc1cccc2c1OCCC2=O)c1cnc2c(F)cc(F)cc2c1[O-] ZINC000504320768 503555478 /nfs/dbraw/zinc/55/54/78/503555478.db2.gz JDBZRDQGFMNKLQ-UHFFFAOYSA-N -1 3 370.311 3.024 20 0 FGADHM COc1ccc(Cl)cc1CS(=O)(=O)[N-][C@@H](C)c1nc(C)cs1 ZINC000500111389 503556409 /nfs/dbraw/zinc/55/64/09/503556409.db2.gz ZUJWASVTEJPANL-JTQLQIEISA-N -1 3 360.888 3.294 20 0 FGADHM O=C(c1c[n-]c2c(F)cc(F)cc2c1=O)N1CCOC[C@H]1c1ccccc1 ZINC000500117404 503557401 /nfs/dbraw/zinc/55/74/01/503557401.db2.gz ASGYCBTXXYSVMI-KRWDZBQOSA-N -1 3 370.355 3.020 20 0 FGADHM O=C(NCCOc1cncc(Cl)c1)c1cc([O-])ccc1C(F)(F)F ZINC000508795009 503565673 /nfs/dbraw/zinc/56/56/73/503565673.db2.gz YOGMULGPBYANLL-UHFFFAOYSA-N -1 3 360.719 3.268 20 0 FGADHM COC(=O)c1c(F)cc([N-]C(=O)c2c(F)ccc(F)c2OC)cc1F ZINC000512570333 503587056 /nfs/dbraw/zinc/58/70/56/503587056.db2.gz ROBYKJHPNGQTMB-UHFFFAOYSA-N -1 3 357.259 3.291 20 0 FGADHM Cc1ccc([O-])c(C(=O)NC[C@@H](O)COc2cccc(Cl)c2Cl)c1 ZINC000516832745 503595992 /nfs/dbraw/zinc/59/59/92/503595992.db2.gz GDNKRFZDXAOVPB-LLVKDONJSA-N -1 3 370.232 3.177 20 0 FGADHM C[C@H]1CCCC[C@H]1CC(=O)Nc1cc(N2CCCS2(=O)=O)ccc1[O-] ZINC000516842670 503598480 /nfs/dbraw/zinc/59/84/80/503598480.db2.gz QOEZGCMTQNZIKQ-KBPBESRZSA-N -1 3 366.483 3.087 20 0 FGADHM CC(C)(C)OC(=O)C1CCN(C(=O)Cc2ccc([O-])cc2Cl)CC1 ZINC000508959731 503607701 /nfs/dbraw/zinc/60/77/01/503607701.db2.gz KAWZJGMJJSYWPU-UHFFFAOYSA-N -1 3 353.846 3.168 20 0 FGADHM O=C(Nc1cccc(C[S@](=O)C2CCOCC2)c1)c1cccc([O-])c1 ZINC000508967360 503609188 /nfs/dbraw/zinc/60/91/88/503609188.db2.gz ZNBIQIDPPVJCQQ-VWLOTQADSA-N -1 3 359.447 3.072 20 0 FGADHM Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)ccc1[O-] ZINC000500434401 503623378 /nfs/dbraw/zinc/62/33/78/503623378.db2.gz XJLZTUYXCXTRTG-OAHLLOKOSA-N -1 3 362.788 3.028 20 0 FGADHM Cc1ccc([O-])c(CN[C@@H]2COc3cc(F)c(Br)cc32)n1 ZINC000500474087 503631989 /nfs/dbraw/zinc/63/19/89/503631989.db2.gz CNZWORAZKBHQQK-CYBMUJFWSA-N -1 3 353.191 3.221 20 0 FGADHM CC(C)[C@@H](c1ccc(F)cc1)N(C)C(=O)CNC(=O)c1ccc([O-])cc1 ZINC000516966215 503633947 /nfs/dbraw/zinc/63/39/47/503633947.db2.gz LDVDTMMBHRRFCF-IBGZPJMESA-N -1 3 358.413 3.117 20 0 FGADHM C[C@H]1C[C@H](CC[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)CCO1 ZINC000543167408 503654828 /nfs/dbraw/zinc/65/48/28/503654828.db2.gz OZZXLNBYRNTZFA-WDEREUQCSA-N -1 3 369.380 3.328 20 0 FGADHM O=S(=O)([N-]C[C@@H]1CCCCS1)c1cc(F)ccc1Br ZINC000543169107 503656611 /nfs/dbraw/zinc/65/66/11/503656611.db2.gz NHKMANLOJRFEPN-JTQLQIEISA-N -1 3 368.293 3.152 20 0 FGADHM CCCN(CCC)C(=O)CCC(=O)N=c1cc(-c2ccccc2C)[n-][nH]1 ZINC000517098359 503667125 /nfs/dbraw/zinc/66/71/25/503667125.db2.gz ZBMTYNXLXDEVPJ-UHFFFAOYSA-N -1 3 356.470 3.174 20 0 FGADHM CC[C@H](NC(=O)NCc1cnc(C)[n-]c1=O)c1ccccc1OC(F)F ZINC000543200034 503676014 /nfs/dbraw/zinc/67/60/14/503676014.db2.gz YAOCAAZWYDVVFO-ZDUSSCGKSA-N -1 3 366.368 3.043 20 0 FGADHM C[C@H](C[N-]S(=O)(=O)c1cscn1)c1ccc(C(F)(F)F)cc1 ZINC000517232758 503687713 /nfs/dbraw/zinc/68/77/13/503687713.db2.gz JHEZIEHPUKOPMV-SECBINFHSA-N -1 3 350.387 3.244 20 0 FGADHM COc1ccc(CN2CCOCC3(CCC3)C2)c(Br)c1[O-] ZINC000546262333 503691247 /nfs/dbraw/zinc/69/12/47/503691247.db2.gz JWOYLJUFHKVUOZ-UHFFFAOYSA-N -1 3 356.260 3.166 20 0 FGADHM Cc1ncc(CNCc2ccc(OC(F)F)c(Br)c2)c(=O)[n-]1 ZINC000543241488 503695357 /nfs/dbraw/zinc/69/53/57/503695357.db2.gz DURYIMZFIWMIIT-UHFFFAOYSA-N -1 3 374.185 3.144 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]C[C@H](c2ccccc2Cl)N2CCCC2)o1 ZINC000540204266 503709330 /nfs/dbraw/zinc/70/93/30/503709330.db2.gz AUSVMLYSTJMUEN-MRXNPFEDSA-N -1 3 368.886 3.357 20 0 FGADHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1ccc(C)cc1Sc1ccccc1 ZINC000543281865 503710394 /nfs/dbraw/zinc/71/03/94/503710394.db2.gz WBQDQPBLDHRZMG-INIZCTEOSA-N -1 3 367.474 3.388 20 0 FGADHM Cc1ccc(C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)cc1Br ZINC000527209407 503720451 /nfs/dbraw/zinc/72/04/51/503720451.db2.gz PMKFQVLLPQDUQF-ZDUSSCGKSA-N -1 3 350.216 3.006 20 0 FGADHM C[C@H](Oc1cccc2ccccc21)C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000527208644 503720660 /nfs/dbraw/zinc/72/06/60/503720660.db2.gz BMKIHRIKFVCSPC-UGSOOPFHSA-N -1 3 351.406 3.242 20 0 FGADHM Cc1ncc(CNC(=O)CCCOc2ccc(C(C)(C)C)cc2)c(=O)[n-]1 ZINC000543317564 503722456 /nfs/dbraw/zinc/72/24/56/503722456.db2.gz VTSKZFVWGMVQHW-UHFFFAOYSA-N -1 3 357.454 3.264 20 0 FGADHM Cc1ncc(CNC(=O)C[C@H](C)c2cccc(C(F)(F)F)c2)c(=O)[n-]1 ZINC000543317443 503722647 /nfs/dbraw/zinc/72/26/47/503722647.db2.gz UXKPQYKZRXBWMZ-JTQLQIEISA-N -1 3 353.344 3.319 20 0 FGADHM CC(C)[C@@H](CO)C[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000517381453 503730696 /nfs/dbraw/zinc/73/06/96/503730696.db2.gz KNUMQZKYANNWQE-GFCCVEGCSA-N -1 3 374.915 3.006 20 0 FGADHM CS(=O)(=O)[N-]c1ccc(-c2nc(-c3cncc4ccccc43)no2)cc1 ZINC000546394303 503733452 /nfs/dbraw/zinc/73/34/52/503733452.db2.gz COXYTLDHWRKCIH-UHFFFAOYSA-N -1 3 366.402 3.323 20 0 FGADHM COc1ccc(C(C)(C)NC(=O)c2cc(OC)c([O-])c(OC)c2)cc1F ZINC000529850208 503734000 /nfs/dbraw/zinc/73/40/00/503734000.db2.gz PUPZKARNLYFNHU-UHFFFAOYSA-N -1 3 363.385 3.222 20 0 FGADHM COCc1cccc(NC(=O)c2c[n-]c3cc(F)c(OC)cc3c2=O)c1 ZINC000540321387 503736476 /nfs/dbraw/zinc/73/64/76/503736476.db2.gz QTICPISKKFDMOI-UHFFFAOYSA-N -1 3 356.353 3.075 20 0 FGADHM 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/nfs/dbraw/zinc/94/87/00/504948700.db2.gz QGKUBUXLSFMIRX-CQSZACIVSA-N -1 3 365.499 3.081 20 0 FGADHM CCO[C@H]1C[C@@](NCc2ccc(OC)c(OC)c2Cl)(C(=O)[O-])C1(C)C ZINC000559981202 504963880 /nfs/dbraw/zinc/96/38/80/504963880.db2.gz IQVSIXUYNNTHED-SCLBCKFNSA-N -1 3 371.861 3.105 20 0 FGADHM Cc1ccccc1O[C@H](C)C[N-]S(=O)(=O)Cc1cc(C(C)(C)C)on1 ZINC000560037679 504975171 /nfs/dbraw/zinc/97/51/71/504975171.db2.gz VDRNRQXEPWAHPA-CQSZACIVSA-N -1 3 366.483 3.167 20 0 FGADHM O=C([O-])c1cnc2ccccc2c1N1CCN(c2ccc(F)cc2)CC1 ZINC000560056556 504981173 /nfs/dbraw/zinc/98/11/73/504981173.db2.gz SNXFCZRHIHQUBF-UHFFFAOYSA-N -1 3 351.381 3.399 20 0 FGADHM CCCN(C(=O)NCCN1CCC2(CCCCC2)CC1)[C@H](CC)C(=O)[O-] ZINC000562974552 505006056 /nfs/dbraw/zinc/00/60/56/505006056.db2.gz PXSSEQZQSPVUTB-QGZVFWFLSA-N -1 3 367.534 3.318 20 0 FGADHM COC(=O)c1[n-]c(=N[C@H]2C[C@H]2c2cccc(Br)c2)sc1C ZINC000565870642 505011029 /nfs/dbraw/zinc/01/10/29/505011029.db2.gz BEUPRHCUQNKRDM-RYUDHWBXSA-N -1 3 367.268 3.391 20 0 FGADHM O=C([C@@H]1CCc2nnc(-c3ccccc3)n2C1)N1CCCc2cccc([O-])c21 ZINC000560208481 505019273 /nfs/dbraw/zinc/01/92/73/505019273.db2.gz GIBXEQALYPOJOG-QGZVFWFLSA-N -1 3 374.444 3.193 20 0 FGADHM O=S(=O)([N-]Cc1coc2ccccc12)c1cccnc1C(F)(F)F ZINC000553832716 505021582 /nfs/dbraw/zinc/02/15/82/505021582.db2.gz WPIHPHSBFAAMGG-UHFFFAOYSA-N -1 3 356.325 3.325 20 0 FGADHM CCc1ccc([O-])c(C(=O)N2CCN(C/C=C\c3ccccc3)CC2)c1 ZINC000560287614 505039361 /nfs/dbraw/zinc/03/93/61/505039361.db2.gz FVWBXQKJOYOCTQ-TWGQIWQCSA-N -1 3 350.462 3.426 20 0 FGADHM C[C@H]1C[C@H]([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)c2nccn21 ZINC000560316129 505043969 /nfs/dbraw/zinc/04/39/69/505043969.db2.gz ZMYKKIGHABJSHL-CPCISQLKSA-N -1 3 364.229 3.313 20 0 FGADHM C[C@H]1CN(c2cccc(F)c2)CCN1C(=O)Cc1ccc([O-])cc1Cl ZINC000553983245 505059961 /nfs/dbraw/zinc/05/99/61/505059961.db2.gz FITRMRFKIVBKAG-ZDUSSCGKSA-N -1 3 362.832 3.465 20 0 FGADHM CCC(CC)[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cn3c(n2)CCC[C@@H]3C)CCO1 ZINC000557110229 505067901 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O=C([O-])CCN(CCOC1CCC1)Cc1cccc(Br)c1 ZINC000566367819 505155570 /nfs/dbraw/zinc/15/55/70/505155570.db2.gz RQPTVQBUWQVNHO-UHFFFAOYSA-N -1 3 356.260 3.295 20 0 FGADHM C[C@H](NC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)[C@H]1CC2CCC1CC2 ZINC000566401677 505164945 /nfs/dbraw/zinc/16/49/45/505164945.db2.gz SVWPDPASHHHGJN-LFUGVXIPSA-N -1 3 368.474 3.142 20 0 FGADHM Cc1nc2ccnn2c(C)c1C(=O)Nc1ccc(Br)cc1[O-] ZINC000551177884 505171926 /nfs/dbraw/zinc/17/19/26/505171926.db2.gz WCZFQDOACFHCQO-UHFFFAOYSA-N -1 3 361.199 3.067 20 0 FGADHM COc1ccccc1C[C@@H](NC(=O)N=c1cc2ccccn2[n-]1)C(C)C ZINC000554441798 505174849 /nfs/dbraw/zinc/17/48/49/505174849.db2.gz LYQUILVBYGGKIM-QGZVFWFLSA-N -1 3 352.438 3.154 20 0 FGADHM CC(C)(C)OC(=O)CN(C(=O)c1cc(=O)[n-]c(C2CC2)n1)c1ccccc1 ZINC000566447791 505179271 /nfs/dbraw/zinc/17/92/71/505179271.db2.gz XWQULFUKOWKRNC-UHFFFAOYSA-N -1 3 369.421 3.048 20 0 FGADHM O=C(Cc1cncc([O-])c1)N1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000566469105 505184551 /nfs/dbraw/zinc/18/45/51/505184551.db2.gz 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C[C@]1(c2cccc(-c3noc([C@H]4CC5CCC4CC5)n3)c2)NC(=O)[N-]C1=O ZINC000551354563 505207713 /nfs/dbraw/zinc/20/77/13/505207713.db2.gz ZSCBRLSYKPJQKV-ITSXFPMNSA-N -1 3 366.421 3.085 20 0 FGADHM O=C([N-]c1ccc2c(c1F)CCNC2=O)c1nc(-c2ccccc2)cs1 ZINC000551379115 505212827 /nfs/dbraw/zinc/21/28/27/505212827.db2.gz LLICTAKWITYOLO-UHFFFAOYSA-N -1 3 367.405 3.487 20 0 FGADHM CC(C)[C@@H](CNCc1cccc(Br)c1OC(F)F)C(=O)[O-] ZINC000551420633 505222069 /nfs/dbraw/zinc/22/20/69/505222069.db2.gz IKYCTQREOACDOH-SNVBAGLBSA-N -1 3 366.202 3.497 20 0 FGADHM CNC(=O)c1ccc(Cl)c([N-]C(=O)c2ncsc2C(F)(F)F)c1 ZINC000566633016 505227523 /nfs/dbraw/zinc/22/75/23/505227523.db2.gz WLLWZKHIIOCBJC-UHFFFAOYSA-N -1 3 363.748 3.427 20 0 FGADHM CCOC(=O)c1cc(COC)cc(NC(=O)c2cc(C(F)(F)F)n[n-]2)c1 ZINC000557808425 505235956 /nfs/dbraw/zinc/23/59/56/505235956.db2.gz PUQSASWUBYCXDV-UHFFFAOYSA-N -1 3 371.315 3.004 20 0 FGADHM CCOC(=O)c1cc(COC)cc(NC(=O)c2cc(C(F)(F)F)[n-]n2)c1 ZINC000557808425 505235957 /nfs/dbraw/zinc/23/59/57/505235957.db2.gz PUQSASWUBYCXDV-UHFFFAOYSA-N -1 3 371.315 3.004 20 0 FGADHM CCN(CC)[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1F)c1ccco1 ZINC000551521584 505242767 /nfs/dbraw/zinc/24/27/67/505242767.db2.gz HIXCQSRELDXHJK-AWEZNQCLSA-N -1 3 374.865 3.434 20 0 FGADHM C[C@H]([N-]S(=O)(=O)Cc1cccc(Cl)c1)c1nc(C(C)(C)C)no1 ZINC000554701744 505244384 /nfs/dbraw/zinc/24/43/84/505244384.db2.gz ZNXKDNUAGGBWGS-JTQLQIEISA-N -1 3 357.863 3.201 20 0 FGADHM Cn1cc(C(=O)N=c2cc3ccccn3[n-]2)c(-c2ccccc2Cl)n1 ZINC000561148065 505263529 /nfs/dbraw/zinc/26/35/29/505263529.db2.gz MDXRZYZISDAFLV-UHFFFAOYSA-N -1 3 351.797 3.062 20 0 FGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)[C@@H](C)Cn1ncc2ccccc21 ZINC000551607247 505266205 /nfs/dbraw/zinc/26/62/05/505266205.db2.gz OMLJGGQOJGLPQE-LBPRGKRZSA-N -1 3 370.409 3.038 20 0 FGADHM CNC(=O)Nc1cc(NC(=O)c2cn[n-]c2-c2ccsc2)ccc1F ZINC000561175153 505272604 /nfs/dbraw/zinc/27/26/04/505272604.db2.gz HUKQVQLEHCAIGK-UHFFFAOYSA-N -1 3 359.386 3.281 20 0 FGADHM 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505350057 /nfs/dbraw/zinc/35/00/57/505350057.db2.gz JWANDRGKAUTPIC-JSGCOSHPSA-N -1 3 370.540 3.278 20 0 FGADHM COc1ccc(CN2C[C@@H](C)[C@](C)(C(=O)[O-])C2)c(Br)c1OC ZINC000564219100 505355969 /nfs/dbraw/zinc/35/59/69/505355969.db2.gz QWRYSTIXPUEHEB-QLJPJBMISA-N -1 3 372.259 3.009 20 0 FGADHM COC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)C(C)C ZINC000551972188 505358572 /nfs/dbraw/zinc/35/85/72/505358572.db2.gz UTBRODWKGXBBRS-LLVKDONJSA-N -1 3 359.797 3.308 20 0 FGADHM c1ccc(-c2n[n-]nc2-c2nc(-c3ccc(OCC4CC4)nc3)no2)cc1 ZINC000558314243 505358807 /nfs/dbraw/zinc/35/88/07/505358807.db2.gz ONOZSXRIHCDPBU-UHFFFAOYSA-N -1 3 360.377 3.373 20 0 FGADHM COc1ccc([C@H](C)[N-]S(=O)(=O)c2cccnc2C(F)(F)F)cc1 ZINC000561501044 505362753 /nfs/dbraw/zinc/36/27/53/505362753.db2.gz FUOLQOMNVJTIOM-JTQLQIEISA-N -1 3 360.357 3.149 20 0 FGADHM CCC[C@@](C)(CC)c1nc(-c2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)no1 ZINC000558336370 505362966 /nfs/dbraw/zinc/36/29/66/505362966.db2.gz XXWLMVCWXXPMBI-RTBURBONSA-N -1 3 356.426 3.259 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ZINC000561799245 505440625 /nfs/dbraw/zinc/44/06/25/505440625.db2.gz FUIVXEJRLAKOBQ-UHFFFAOYSA-N -1 3 366.421 3.306 20 0 FGADHM CCOc1nc2cc(C(=O)Nc3cccc(C(=O)N(C)CC)c3)ccc2[n-]1 ZINC000561799245 505440629 /nfs/dbraw/zinc/44/06/29/505440629.db2.gz FUIVXEJRLAKOBQ-UHFFFAOYSA-N -1 3 366.421 3.306 20 0 FGADHM Cc1nc2ccc(NC(=O)c3c[n-]nc3-c3cccc(Cl)c3)cn2n1 ZINC000555530112 505447239 /nfs/dbraw/zinc/44/72/39/505447239.db2.gz UYMOBRIVNSRVGX-UHFFFAOYSA-N -1 3 352.785 3.334 20 0 FGADHM Cc1nc(-c2ccccc2)c(C(=O)N=c2[nH][n-]cc2Br)s1 ZINC000552287398 505450990 /nfs/dbraw/zinc/45/09/90/505450990.db2.gz PYLSOKCBWJZNLM-UHFFFAOYSA-N -1 3 363.240 3.278 20 0 FGADHM Cc1cccc(NC(=O)c2cc(C(F)(F)F)n[n-]2)c1C(=O)N1CCCC1 ZINC000555545567 505451833 /nfs/dbraw/zinc/45/18/33/505451833.db2.gz BLHYLANMHITVIP-UHFFFAOYSA-N -1 3 366.343 3.225 20 0 FGADHM Cc1cccc(NC(=O)c2cc(C(F)(F)F)[n-]n2)c1C(=O)N1CCCC1 ZINC000555545567 505451835 /nfs/dbraw/zinc/45/18/35/505451835.db2.gz BLHYLANMHITVIP-UHFFFAOYSA-N -1 3 366.343 3.225 20 0 FGADHM O=C(N[C@@H]1C[C@H]1c1ccc(Br)cc1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000567404743 505452463 /nfs/dbraw/zinc/45/24/63/505452463.db2.gz LGWHMFVBONAAMP-QWHCGFSZSA-N -1 3 374.238 3.108 20 0 FGADHM COc1cc2c(cc1F)[n-]cc(C(=O)N1CCc3ccc(F)cc3C1)c2=O ZINC000555578818 505461907 /nfs/dbraw/zinc/46/19/07/505461907.db2.gz AUXLCZOFAGWZOO-UHFFFAOYSA-N -1 3 370.355 3.013 20 0 FGADHM O=C(CNC(=O)c1ccc([O-])cc1)N1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000558716858 505472816 /nfs/dbraw/zinc/47/28/16/505472816.db2.gz RDQVVZJJFZEUQZ-REPLKXPHSA-N -1 3 364.445 3.059 20 0 FGADHM COc1cccc(C(=O)N[C@H]2c3ccccc3CC23CCOCC3)c1[O-] ZINC000564625928 505473554 /nfs/dbraw/zinc/47/35/54/505473554.db2.gz DBHARKUHYBSYQS-IBGZPJMESA-N -1 3 353.418 3.225 20 0 FGADHM CC(=O)c1cccc(NC(=O)c2nn(-c3ccc(F)cc3)cc2C)c1[O-] ZINC000561962356 505479154 /nfs/dbraw/zinc/47/91/54/505479154.db2.gz VPYFYHIRMKSLHE-UHFFFAOYSA-N -1 3 353.353 3.480 20 0 FGADHM O=C([O-])c1ccccc1CCN1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000564661156 505486098 /nfs/dbraw/zinc/48/60/98/505486098.db2.gz NQQBPVPTBUMFBV-UHFFFAOYSA-N -1 3 367.371 3.480 20 0 FGADHM Cc1cccc2nc(C3CCN(C(=O)Cc4cncc([O-])c4)CC3)oc21 ZINC000567518998 505486562 /nfs/dbraw/zinc/48/65/62/505486562.db2.gz BEENJVBBNSRSJX-UHFFFAOYSA-N -1 3 351.406 3.186 20 0 FGADHM O=S(=O)(CCCOCc1ccccc1)Nc1cc([O-])c(F)cc1F ZINC000564667084 505487652 /nfs/dbraw/zinc/48/76/52/505487652.db2.gz JJMWXUGDIXGRDM-UHFFFAOYSA-N -1 3 357.378 3.019 20 0 FGADHM COC(=O)[C@@H](C)CN(Cc1ccccc1)C(=O)c1cc([O-])ccc1Cl ZINC000555665435 505488550 /nfs/dbraw/zinc/48/85/50/505488550.db2.gz INJASQVTLRGAHQ-ZDUSSCGKSA-N -1 3 361.825 3.497 20 0 FGADHM CO[C@@H]1C[C@@H](NC(=O)c2c[n-]nc2-c2ccc(Cl)s2)C12CCC2 ZINC000564711479 505499918 /nfs/dbraw/zinc/49/99/18/505499918.db2.gz YSUKPTDAHUTACQ-VXGBXAGGSA-N -1 3 351.859 3.479 20 0 FGADHM CCOC(=O)c1cc([N-]C(=O)c2csc(COC)n2)c(F)cc1C ZINC000564744760 505508652 /nfs/dbraw/zinc/50/86/52/505508652.db2.gz VCPQDQIMLMCKJV-UHFFFAOYSA-N -1 3 352.387 3.166 20 0 FGADHM CC[C@H](C)C[C@H]1NC(=O)N(Cc2ccc([O-])c(Br)c2)C1=O ZINC000567613611 505514713 /nfs/dbraw/zinc/51/47/13/505514713.db2.gz FEOQTQANTKBGLL-JOYOIKCWSA-N -1 3 355.232 3.011 20 0 FGADHM O=C(Nc1n[n-]c(-c2ccccc2Cl)n1)c1cccc2c1CC(=O)CC2 ZINC000567653210 505526213 /nfs/dbraw/zinc/52/62/13/505526213.db2.gz MPYQGAFAUONXDI-UHFFFAOYSA-N -1 3 366.808 3.435 20 0 FGADHM C[C@@H](CCN=c1[n-]nc(C2CCOCC2)s1)N(C)Cc1ccccc1 ZINC000558920952 505530718 /nfs/dbraw/zinc/53/07/18/505530718.db2.gz QGLMDOVUQGICEI-HNNXBMFYSA-N -1 3 360.527 3.177 20 0 FGADHM C[C@@H]1CC[C@H]1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000552757511 505549882 /nfs/dbraw/zinc/54/98/82/505549882.db2.gz GRZDJBPHHFOWHI-MLGOLLRUSA-N -1 3 362.426 3.155 20 0 FGADHM C[C@H]1CC[C@@H]1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000552757510 505549892 /nfs/dbraw/zinc/54/98/92/505549892.db2.gz GRZDJBPHHFOWHI-LRDDRELGSA-N -1 3 362.426 3.155 20 0 FGADHM CN(C)c1nc(C(=O)N2CCC[C@H](CCCc3ccccc3)C2)cc(=O)[n-]1 ZINC000559018655 505552232 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O=C(Nc1n[n-]c(-c2ccccc2F)n1)c1cccc([C@@H]2CCOC2)c1 ZINC000582860647 506459459 /nfs/dbraw/zinc/45/94/59/506459459.db2.gz FGEPVHJFYZBNPV-CQSZACIVSA-N -1 3 352.369 3.367 20 0 FGADHM O=c1cc(C[S@@](=O)Cc2cccc(OC(F)(F)F)c2)nc(C2CC2)[n-]1 ZINC000593207295 506465000 /nfs/dbraw/zinc/46/50/00/506465000.db2.gz PRFFSUUSOPAOSI-VWLOTQADSA-N -1 3 372.368 3.407 20 0 FGADHM C[C@@H](SCCc1nnn[n-]1)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000603337058 506488855 /nfs/dbraw/zinc/48/88/55/506488855.db2.gz JLXDYHPGBDIELF-DTWKUNHWSA-N -1 3 374.297 3.048 20 0 FGADHM C[C@@H](SCCc1nn[n-]n1)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000603337058 506488857 /nfs/dbraw/zinc/48/88/57/506488857.db2.gz JLXDYHPGBDIELF-DTWKUNHWSA-N -1 3 374.297 3.048 20 0 FGADHM CCCS(=O)(=O)c1ccccc1C(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000582927228 506492951 /nfs/dbraw/zinc/49/29/51/506492951.db2.gz WXXHPVPAIHVZDJ-UHFFFAOYSA-N -1 3 361.419 3.031 20 0 FGADHM Cc1ccc(CN2CC[C@H](CN(C)C(=O)c3ccc([O-])cc3F)C2)s1 ZINC000582932318 506494201 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/nfs/dbraw/zinc/62/06/31/507620631.db2.gz LIBGXDMAUDFSBY-UHFFFAOYSA-N -1 3 372.446 3.148 20 0 FGADHM O=S(=O)(Cc1cc(-c2ccccc2)no1)[N-]Cc1ccc(Cl)o1 ZINC000585767031 507622686 /nfs/dbraw/zinc/62/26/86/507622686.db2.gz MONYZIGQZVMXJV-UHFFFAOYSA-N -1 3 352.799 3.208 20 0 FGADHM Cc1cccc(CSCC(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)c1 ZINC000602192918 507624220 /nfs/dbraw/zinc/62/42/20/507624220.db2.gz BYLYYRPKUKMDLQ-UHFFFAOYSA-N -1 3 357.479 3.308 20 0 FGADHM O=S(=O)(Cc1cc(-c2ccccc2)no1)[N-]Cc1ccc(F)cc1F ZINC000585794246 507632112 /nfs/dbraw/zinc/63/21/12/507632112.db2.gz QRBJWERWEPZLPC-UHFFFAOYSA-N -1 3 364.373 3.239 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)c1cc(OC)c(OC)cc1F)C1CCCCC1 ZINC000585803100 507638170 /nfs/dbraw/zinc/63/81/70/507638170.db2.gz NEOLHSKUFZWFRG-AWEZNQCLSA-N -1 3 359.463 3.480 20 0 FGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]Cc2cc(C)ccc2OC)c1 ZINC000602255547 507644070 /nfs/dbraw/zinc/64/40/70/507644070.db2.gz VIUOAQXYYQHNEV-UHFFFAOYSA-N -1 3 355.843 3.144 20 0 FGADHM CC(C)CCn1cc(C(=O)[N-]c2n[nH]c(-c3ccc(Cl)cc3)n2)nn1 ZINC000607189787 507649790 /nfs/dbraw/zinc/64/97/90/507649790.db2.gz FZXYKGCKCVCMAA-UHFFFAOYSA-N -1 3 359.821 3.015 20 0 FGADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C)c(NC(C)=O)c2)cc1C ZINC000614819997 507665638 /nfs/dbraw/zinc/66/56/38/507665638.db2.gz XQTZBUAKYOPAAE-UHFFFAOYSA-N -1 3 362.451 3.461 20 0 FGADHM Cc1cccc2cc(C(=O)N[C@@H](C)[C@@H](C)C(=O)Nc3ncccc3[O-])oc21 ZINC000614824464 507665747 /nfs/dbraw/zinc/66/57/47/507665747.db2.gz VHFPAGVLMSMFNL-OLZOCXBDSA-N -1 3 367.405 3.235 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)C3(c4cccc(OC)c4)CC3)[n-]c21 ZINC000586800005 507676736 /nfs/dbraw/zinc/67/67/36/507676736.db2.gz FMDINOKPGRTJOP-UHFFFAOYSA-N -1 3 365.389 3.028 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)C3(c4cccc(OC)c4)CC3)nc21 ZINC000586800005 507676742 /nfs/dbraw/zinc/67/67/42/507676742.db2.gz FMDINOKPGRTJOP-UHFFFAOYSA-N -1 3 365.389 3.028 20 0 FGADHM COC(=O)C(C)(C)[C@H]([N-]S(=O)(=O)c1cc(C)oc1C)c1ccccc1 ZINC000611446152 507684976 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3.210 20 0 FGADHM CC(=O)[C@@H]1C[C@H](C(=O)Nc2n[n-]c(-c3ccc4ccccc4n3)n2)C1(C)C ZINC000615118765 507759210 /nfs/dbraw/zinc/75/92/10/507759210.db2.gz FMIUVWOWLROYAD-UONOGXRCSA-N -1 3 363.421 3.210 20 0 FGADHM COC(=O)c1cc(Cl)cc(NC(=O)C[C@@H]2CCC[C@H](OC)C2)c1[O-] ZINC000588096510 507759773 /nfs/dbraw/zinc/75/97/73/507759773.db2.gz HASJSCIWDIOZAZ-PWSUYJOCSA-N -1 3 355.818 3.366 20 0 FGADHM O=C(Nc1nnc(-c2ccc3ccccc3n2)[n-]1)[C@@H]1CC12CCSCC2 ZINC000615121791 507760056 /nfs/dbraw/zinc/76/00/56/507760056.db2.gz CADGTJLCQCGZPI-ZDUSSCGKSA-N -1 3 365.462 3.492 20 0 FGADHM O=C(Nc1nc(-c2ccc3ccccc3n2)n[n-]1)[C@@H]1CC12CCSCC2 ZINC000615121791 507760061 /nfs/dbraw/zinc/76/00/61/507760061.db2.gz CADGTJLCQCGZPI-ZDUSSCGKSA-N -1 3 365.462 3.492 20 0 FGADHM O=C(Nc1n[n-]c(-c2ccc3ccccc3n2)n1)[C@@H]1CC12CCSCC2 ZINC000615121791 507760067 /nfs/dbraw/zinc/76/00/67/507760067.db2.gz CADGTJLCQCGZPI-ZDUSSCGKSA-N -1 3 365.462 3.492 20 0 FGADHM CC[C@H]1C[C@@H](CC(=O)Nc2cc(Cl)cc(C(=O)OC)c2[O-])CCO1 ZINC000588096400 507760459 /nfs/dbraw/zinc/76/04/59/507760459.db2.gz BNKOSHNKBWXRTD-JQWIXIFHSA-N -1 3 355.818 3.366 20 0 FGADHM COC(=O)c1cc(Cl)cc(NC(=O)[C@@H](C)c2ncccc2F)c1[O-] ZINC000588099816 507762448 /nfs/dbraw/zinc/76/24/48/507762448.db2.gz BUNLTNASACPZSB-QMMMGPOBSA-N -1 3 352.749 3.109 20 0 FGADHM O=C(CCC(=O)c1ccc(Cl)cn1)N=c1cc(-c2ccncc2)[n-][nH]1 ZINC000470582606 514539453 /nfs/dbraw/zinc/53/94/53/514539453.db2.gz LCLIXBOYGLWZBQ-UHFFFAOYSA-N -1 3 355.785 3.122 20 0 FGADHM Cc1cc(C)cc(-c2cc(=NC(=O)C3CN(CC(F)(F)F)C3)[nH][n-]2)c1 ZINC000484273270 514614721 /nfs/dbraw/zinc/61/47/21/514614721.db2.gz SYYKDJPQQQUXHZ-UHFFFAOYSA-N -1 3 352.360 3.126 20 0 FGADHM Cc1cc(C)c(-c2cc(=NC(=O)CN(C)[C@@H]3CCSC3)[nH][n-]2)cc1C ZINC000484353881 514638849 /nfs/dbraw/zinc/63/88/49/514638849.db2.gz UULGINXQUHHARN-OAHLLOKOSA-N -1 3 358.511 3.378 20 0 FGADHM Cn1nc(C(F)F)c2cc(C(=O)N=c3ccn(-c4ccncc4)[n-]3)sc21 ZINC000470928823 514678422 /nfs/dbraw/zinc/67/84/22/514678422.db2.gz BQRDBLMOTDIRDG-UHFFFAOYSA-N -1 3 374.376 3.405 20 0 FGADHM O=C(CNC(=O)c1c(F)cccc1Cl)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000502747530 514760696 /nfs/dbraw/zinc/76/06/96/514760696.db2.gz PRGMXHODKNMIJI-UHFFFAOYSA-N -1 3 372.787 3.238 20 0 FGADHM CCC(=O)c1ccc(OCC(=O)N=c2cc(-c3ccncc3)[n-][nH]2)cc1 ZINC000502986733 514868558 /nfs/dbraw/zinc/86/85/58/514868558.db2.gz SHNOOVQDDHCCBF-UHFFFAOYSA-N -1 3 350.378 3.082 20 0 FGADHM Cc1cc(NC(=O)c2cc(F)cc3[n-]nnc32)nn1-c1cc(C)cc(C)c1 ZINC000503553982 515079796 /nfs/dbraw/zinc/07/97/96/515079796.db2.gz JVFNSDZGRVSHMJ-UHFFFAOYSA-N -1 3 364.384 3.460 20 0 FGADHM Cc1cc(NC(=O)c2cc(F)cc3nn[n-]c32)nn1-c1cc(C)cc(C)c1 ZINC000503553982 515079804 /nfs/dbraw/zinc/07/98/04/515079804.db2.gz JVFNSDZGRVSHMJ-UHFFFAOYSA-N -1 3 364.384 3.460 20 0 FGADHM Cc1cc(NC(=O)c2cc(F)cc3n[n-]nc32)nn1-c1cc(C)cc(C)c1 ZINC000503553982 515079814 /nfs/dbraw/zinc/07/98/14/515079814.db2.gz JVFNSDZGRVSHMJ-UHFFFAOYSA-N -1 3 364.384 3.460 20 0 FGADHM COc1ccccc1C[C@@H](C)CC(=O)N=c1cc(OC(F)F)n(C)[n-]1 ZINC000490932136 515335012 /nfs/dbraw/zinc/33/50/12/515335012.db2.gz BCWHLBVPLOUHBG-LLVKDONJSA-N -1 3 353.369 3.238 20 0 FGADHM Cc1ccc(C(C)C)c(OCC(=O)N=c2cc(OC(F)F)n(C)[n-]2)c1 ZINC000490989950 515349842 /nfs/dbraw/zinc/34/98/42/515349842.db2.gz PUMGSBANDRMHPW-UHFFFAOYSA-N -1 3 353.369 3.471 20 0 FGADHM CN1CC=C(CNC(=O)N=c2[n-]nc(-c3cccc(Cl)c3)s2)CC1 ZINC000481522873 515362439 /nfs/dbraw/zinc/36/24/39/515362439.db2.gz RIRVHIJMAPRMPQ-UHFFFAOYSA-N -1 3 363.874 3.242 20 0 FGADHM Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1csc(=NC2CC2)[n-]1)N(C)C ZINC000510541443 515577274 /nfs/dbraw/zinc/57/72/74/515577274.db2.gz RYRWSFAHQCDLNX-CXAGYDPISA-N -1 3 358.511 3.447 20 0 FGADHM C[C@H](Oc1cnc2ccccc2c1)C(=O)N=c1cc(-c2cccnc2)[n-][nH]1 ZINC000473398975 515605885 /nfs/dbraw/zinc/60/58/85/515605885.db2.gz MKWREZHBGLDKHU-ZDUSSCGKSA-N -1 3 359.389 3.426 20 0 FGADHM Cc1cc(C)cc(-c2cc(=NC(=O)CCc3ccccc3C(N)=O)[nH][n-]2)c1 ZINC000473401587 515607453 /nfs/dbraw/zinc/60/74/53/515607453.db2.gz NZNBCSFTOCUJRR-UHFFFAOYSA-N -1 3 362.433 3.364 20 0 FGADHM O=C(Cc1cccc(OCC(F)(F)F)c1)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000473849376 515774078 /nfs/dbraw/zinc/77/40/78/515774078.db2.gz VXOMZPPQFFCTCU-CQSZACIVSA-N -1 3 369.343 3.384 20 0 FGADHM O=C(CCc1ccc(OC(F)F)cc1)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000473849717 515774097 /nfs/dbraw/zinc/77/40/97/515774097.db2.gz LUCZHWULQOAUGN-CQSZACIVSA-N -1 3 351.353 3.434 20 0 FGADHM CC[C@@H](C(=O)N=c1cc2ccc(Br)cn2[n-]1)N(CC)CC ZINC000511339293 515868123 /nfs/dbraw/zinc/86/81/23/515868123.db2.gz VCYDNHNOXMRBRI-ZDUSSCGKSA-N -1 3 353.264 3.156 20 0 FGADHM COc1ccc(CNC(=O)c2c[n-][nH]c2=NC(=O)[C@@H](C)CC(C)(C)C)cc1 ZINC000483043983 515899016 /nfs/dbraw/zinc/89/90/16/515899016.db2.gz FEZWZXGVTOCVOG-ZDUSSCGKSA-N -1 3 372.469 3.359 20 0 FGADHM CCN=c1[n-]c(C(=O)NCc2cccc(OCC(F)(F)F)c2)cs1 ZINC000478759231 515954766 /nfs/dbraw/zinc/95/47/66/515954766.db2.gz IEFNCPHUVXYDAC-UHFFFAOYSA-N -1 3 359.373 3.446 20 0 FGADHM COCCC[C@@H](C)C(=O)N=c1[nH][n-]c(C)c1-c1ccc2c(c1)OCCO2 ZINC000483365494 516050976 /nfs/dbraw/zinc/05/09/76/516050976.db2.gz OELNNWIYWRTNJG-GFCCVEGCSA-N -1 3 359.426 3.158 20 0 FGADHM CCN=c1[n-]c(C(=O)NCc2ccc(OC)c(Br)c2)cs1 ZINC000495231378 516111748 /nfs/dbraw/zinc/11/17/48/516111748.db2.gz OSMMHZAIHCSPOY-UHFFFAOYSA-N -1 3 370.272 3.276 20 0 FGADHM CCN=c1[n-]c(C(=O)N[C@H]2CCO[C@H]2c2ccc(F)c(F)c2)cs1 ZINC000540663934 516657977 /nfs/dbraw/zinc/65/79/77/516657977.db2.gz IHLHORONKUSDHG-JSGCOSHPSA-N -1 3 353.394 3.113 20 0 FGADHM CCN(CC)CCSCC(=O)N=c1cc(-c2cccc(F)c2F)[n-][nH]1 ZINC000518539063 516698762 /nfs/dbraw/zinc/69/87/62/516698762.db2.gz YYPUNVXYJSYSKE-UHFFFAOYSA-N -1 3 368.453 3.368 20 0 FGADHM CCCCC(=O)N1CSC[C@H]1C(=O)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000524420051 516715834 /nfs/dbraw/zinc/71/58/34/516715834.db2.gz NXDQZZSENVDOOT-HNNXBMFYSA-N -1 3 358.467 3.107 20 0 FGADHM COC(=O)c1cncc(C(=O)N=c2cc(-c3cc(C)cc(C)c3)[n-][nH]2)c1 ZINC000536600673 516845880 /nfs/dbraw/zinc/84/58/80/516845880.db2.gz VQEDFYOWJJKEIV-UHFFFAOYSA-N -1 3 350.378 3.127 20 0 FGADHM O=C(N=c1ncn(C2CCCCC2)[n-]1)NC[C@@H]1CCN1C1CCCCC1 ZINC000529059298 516894766 /nfs/dbraw/zinc/89/47/66/516894766.db2.gz RJYSXSJQWHPONC-KRWDZBQOSA-N -1 3 360.506 3.312 20 0 FGADHM Cc1nc2cc(F)cc(C(=O)N=c3cc([C@H]4CCCO4)[n-][nH]3)c2nc1C ZINC000519676653 517116607 /nfs/dbraw/zinc/11/66/07/517116607.db2.gz AHHKBZYRQHBSSE-OAHLLOKOSA-N -1 3 355.373 3.213 20 0 FGADHM COc1ccc2nc(C)cc(C(=O)N=c3cc([C@@H]4CCCO4)[n-][nH]3)c2c1 ZINC000526961175 517413382 /nfs/dbraw/zinc/41/33/82/517413382.db2.gz QOHKLFDASMYBLX-KRWDZBQOSA-N -1 3 352.394 3.379 20 0 FGADHM CCCc1ccc(-c2cc(=NC(=O)c3cncc(C(=O)OC)c3)[nH][n-]2)cc1 ZINC000538055241 517453518 /nfs/dbraw/zinc/45/35/18/517453518.db2.gz GHGAJCBOEAIXCC-UHFFFAOYSA-N -1 3 364.405 3.463 20 0 FGADHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)c1cc(Br)ccc1F ZINC000527208749 517563109 /nfs/dbraw/zinc/56/31/09/517563109.db2.gz XEFJVCOPSAREIB-GFCCVEGCSA-N -1 3 354.179 3.415 20 0 FGADHM CCc1[n-][nH]c(=NC(=O)[C@@H]2[C@H](C)O[C@H](C)[C@H]2C)c1-c1ccc2c(c1)OCO2 ZINC000530263198 517665318 /nfs/dbraw/zinc/66/53/18/517665318.db2.gz MQDDAFQORMAMTB-RHPZDQPFSA-N -1 3 371.437 3.366 20 0 FGADHM COc1nc(NC[C@H](c2ccc(SC)cc2)N(C)C)ccc1C(=O)[O-] ZINC000516973378 517954250 /nfs/dbraw/zinc/95/42/50/517954250.db2.gz QTACZNBGAFWUFB-OAHLLOKOSA-N -1 3 361.467 3.225 20 0 FGADHM CCOC(=O)c1cc(NC(=O)c2ccc(OC)c(OC3CCCC3)c2)n[n-]1 ZINC000543298016 518010053 /nfs/dbraw/zinc/01/00/53/518010053.db2.gz VZHIHGZLKAGKGJ-UHFFFAOYSA-N -1 3 373.409 3.169 20 0 FGADHM CCOC(=O)c1cc(NC(=O)c2ccc(OC)c(OC3CCCC3)c2)[n-]n1 ZINC000543298016 518010063 /nfs/dbraw/zinc/01/00/63/518010063.db2.gz VZHIHGZLKAGKGJ-UHFFFAOYSA-N -1 3 373.409 3.169 20 0 FGADHM O=C(c1cccc(CNc2ccncn2)c1)N1CCCc2cccc([O-])c21 ZINC000543580663 518143778 /nfs/dbraw/zinc/14/37/78/518143778.db2.gz DXDPBASXDRNASV-UHFFFAOYSA-N -1 3 360.417 3.387 20 0 FGADHM COc1ccccc1-c1cc(=NC(=O)CSCc2cscn2)[nH][n-]1 ZINC000610966642 520923491 /nfs/dbraw/zinc/92/34/91/520923491.db2.gz YNGLKPPNODEQGP-UHFFFAOYSA-N -1 3 360.464 3.414 20 0 FGADHM C[C@@H]1Cc2c[nH]nc2[C@H](C(=O)N=c2cc(-c3cc(F)cc(F)c3)[n-][nH]2)C1 ZINC000623201016 521847999 /nfs/dbraw/zinc/84/79/99/521847999.db2.gz CKWYTYFMJBUJJU-YMTOWFKASA-N -1 3 357.364 3.383 20 0 FGADHM COc1cccc(-c2c(C)[n-][nH]c2=NC(=O)c2ccc(N3CCC3)nc2)c1 ZINC000629691808 522397758 /nfs/dbraw/zinc/39/77/58/522397758.db2.gz AKXWGMACYHEESJ-UHFFFAOYSA-N -1 3 363.421 3.251 20 0 FGADHM COc1cccc(-c2c(C)[n-][nH]c2=NC(=O)[C@@H](C)N(C)CC(F)(F)F)c1 ZINC000629696418 522399921 /nfs/dbraw/zinc/39/99/21/522399921.db2.gz ZIVDFZUOKHHMSI-LLVKDONJSA-N -1 3 370.375 3.215 20 0 FGADHM Cc1cn2c(n1)C[C@H](C(=O)N=c1cc(-c3cccc(Cl)c3)[n-][nH]1)CC2 ZINC000629953732 522544528 /nfs/dbraw/zinc/54/45/28/522544528.db2.gz SHXZSAVQAMOVTO-CYBMUJFWSA-N -1 3 355.829 3.436 20 0 FGADHM Cc1cc(C(=O)N=c2[nH][n-]cc2Br)c(C)n1[C@@H]1CCCOC1 ZINC000629992862 522572704 /nfs/dbraw/zinc/57/27/04/522572704.db2.gz XLUSJBSQFCQEIS-LLVKDONJSA-N -1 3 367.247 3.194 20 0 FGADHM O=C(C[C@@H](O)Cc1ccccc1)N=c1cc2ccc(Br)cn2[n-]1 ZINC000487310882 561367551 /nfs/dbraw/zinc/36/75/51/561367551.db2.gz ZOLQLBRWXTYPOG-HNNXBMFYSA-N -1 3 374.238 3.029 20 0 FGADHM C[C@H]1CN(Cc2ccccc2)CCN1C(=O)c1csc(=NC2CC2)[n-]1 ZINC000494547033 561471467 /nfs/dbraw/zinc/47/14/67/561471467.db2.gz NFXMYZHCWWVASG-AWEZNQCLSA-N -1 3 356.495 3.064 20 0 FGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)c1cc2c(cn1)OCCC2 ZINC000511286377 561863806 /nfs/dbraw/zinc/86/38/06/561863806.db2.gz OPLWNZKJWWPAOL-UHFFFAOYSA-N -1 3 373.210 3.069 20 0 FGADHM CCOC(=O)c1ncc(NC(=O)c2csc(-c3ccc(F)cc3)n2)[n-]1 ZINC000617877438 568195336 /nfs/dbraw/zinc/19/53/36/568195336.db2.gz OGKUNAPGVSFMAW-UHFFFAOYSA-N -1 3 360.370 3.101 20 0 FGADHM CCOC(=O)c1nc(NC(=O)c2csc(-c3ccc(F)cc3)n2)c[n-]1 ZINC000617877438 568195337 /nfs/dbraw/zinc/19/53/37/568195337.db2.gz OGKUNAPGVSFMAW-UHFFFAOYSA-N -1 3 360.370 3.101 20 0 FGADHM CC(C)OC1CCC([N-]S(=O)(=O)c2cccnc2C(F)(F)F)CC1 ZINC000672391778 568253657 /nfs/dbraw/zinc/25/36/57/568253657.db2.gz AFHIBSOGQVAUCD-UHFFFAOYSA-N -1 3 366.405 3.115 20 0 FGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N1CC2(CC2)c2ccccc21 ZINC000737943697 598836269 /nfs/dbraw/zinc/83/62/69/598836269.db2.gz VPBDIWTVCMHWFK-UHFFFAOYSA-N -1 3 363.446 3.037 20 0 FGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N1CC2(CC2)c2ccccc21 ZINC000737943697 598836271 /nfs/dbraw/zinc/83/62/71/598836271.db2.gz VPBDIWTVCMHWFK-UHFFFAOYSA-N -1 3 363.446 3.037 20 0 FGADHM CC(C)c1cc(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)on1 ZINC000735921369 598862492 /nfs/dbraw/zinc/86/24/92/598862492.db2.gz QMBYIGWWYOOGCN-UHFFFAOYSA-N -1 3 354.414 3.029 20 0 FGADHM CC(C)c1cc(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)on1 ZINC000735921369 598862493 /nfs/dbraw/zinc/86/24/93/598862493.db2.gz QMBYIGWWYOOGCN-UHFFFAOYSA-N -1 3 354.414 3.029 20 0 FGADHM C[C@H](CNC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)Oc1ccccc1 ZINC000736017341 598879259 /nfs/dbraw/zinc/87/92/59/598879259.db2.gz MAMRESHULLMRDS-LLVKDONJSA-N -1 3 372.816 3.109 20 0 FGADHM C[C@H](CNC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)Oc1ccccc1 ZINC000736017341 598879261 /nfs/dbraw/zinc/87/92/61/598879261.db2.gz MAMRESHULLMRDS-LLVKDONJSA-N -1 3 372.816 3.109 20 0 FGADHM C[C@@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)c1cccc(Cl)c1 ZINC000736037314 598882474 /nfs/dbraw/zinc/88/24/74/598882474.db2.gz FJNFBPBOKWRNDW-NSHDSACASA-N -1 3 358.785 3.144 20 0 FGADHM C[C@@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)c1cccc(Cl)c1 ZINC000736037314 598882475 /nfs/dbraw/zinc/88/24/75/598882475.db2.gz FJNFBPBOKWRNDW-NSHDSACASA-N -1 3 358.785 3.144 20 0 FGADHM C[C@@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)CCCc1cccs1 ZINC000736036437 598883682 /nfs/dbraw/zinc/88/36/82/598883682.db2.gz ANBVRQFDSCZVEQ-ZDUSSCGKSA-N -1 3 372.450 3.262 20 0 FGADHM C[C@@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)CCCc1cccs1 ZINC000736036437 598883683 /nfs/dbraw/zinc/88/36/83/598883683.db2.gz ANBVRQFDSCZVEQ-ZDUSSCGKSA-N -1 3 372.450 3.262 20 0 FGADHM COC(=O)[C@@H](Nc1ccc(CSC)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736898012 598885343 /nfs/dbraw/zinc/88/53/43/598885343.db2.gz OAPWAAQCTMMSOW-INIZCTEOSA-N -1 3 369.450 3.056 20 0 FGADHM COC(=O)[C@@H](Nc1ccc(CSC)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736898012 598885344 /nfs/dbraw/zinc/88/53/44/598885344.db2.gz OAPWAAQCTMMSOW-INIZCTEOSA-N -1 3 369.450 3.056 20 0 FGADHM COC(=O)[C@@H](OC(=O)C[C@H](C)CC(C)(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736896299 598897650 /nfs/dbraw/zinc/89/76/50/598897650.db2.gz HXSKELXYVRNDKI-LRDDRELGSA-N -1 3 374.441 3.086 20 0 FGADHM COC(=O)[C@@H](OC(=O)C[C@H](C)CC(C)(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736896299 598897653 /nfs/dbraw/zinc/89/76/53/598897653.db2.gz HXSKELXYVRNDKI-LRDDRELGSA-N -1 3 374.441 3.086 20 0 FGADHM CC(C)[C@H](C)N(CC(F)(F)F)C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000735703812 598905503 /nfs/dbraw/zinc/90/55/03/598905503.db2.gz WGSYDJWCSHFWHX-LBPRGKRZSA-N -1 3 369.391 3.235 20 0 FGADHM CC(C)[C@H](C)N(CC(F)(F)F)C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000735703812 598905505 /nfs/dbraw/zinc/90/55/05/598905505.db2.gz WGSYDJWCSHFWHX-LBPRGKRZSA-N -1 3 369.391 3.235 20 0 FGADHM CC[C@H]1c2ccccc2CCN1C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000736406043 598923182 /nfs/dbraw/zinc/92/31/82/598923182.db2.gz ICJYVMXCDFWTPD-SFHVURJKSA-N -1 3 362.437 3.086 20 0 FGADHM CC[C@H]1c2ccccc2CCN1C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000736406043 598923183 /nfs/dbraw/zinc/92/31/83/598923183.db2.gz ICJYVMXCDFWTPD-SFHVURJKSA-N -1 3 362.437 3.086 20 0 FGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)N1CCC[C@]2(CC=CCC2)C1 ZINC000738100888 598925176 /nfs/dbraw/zinc/92/51/76/598925176.db2.gz UGZNTBMFZMQPAQ-LJQANCHMSA-N -1 3 370.432 3.038 20 0 FGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)N1CCC[C@]2(CC=CCC2)C1 ZINC000738100888 598925178 /nfs/dbraw/zinc/92/51/78/598925178.db2.gz UGZNTBMFZMQPAQ-LJQANCHMSA-N -1 3 370.432 3.038 20 0 FGADHM CCC[C@@H](C)NC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000736424715 598925905 /nfs/dbraw/zinc/92/59/05/598925905.db2.gz RRJSFLKEUDQQPG-CQSZACIVSA-N -1 3 365.437 3.364 20 0 FGADHM CCC[C@@H](C)NC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000736424715 598925906 /nfs/dbraw/zinc/92/59/06/598925906.db2.gz RRJSFLKEUDQQPG-CQSZACIVSA-N -1 3 365.437 3.364 20 0 FGADHM CC(C)C[C@@H]1CCCCCN1C(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000735796246 598943302 /nfs/dbraw/zinc/94/33/02/598943302.db2.gz XWUZQYZJYBGTMP-INIZCTEOSA-N -1 3 357.458 3.063 20 0 FGADHM S=C(Nc1ccccc1OCC1CC1)Nc1ccccc1-c1nnn[n-]1 ZINC000738409020 598940317 /nfs/dbraw/zinc/94/03/17/598940317.db2.gz ODQTWPBSSQCAFI-UHFFFAOYSA-N -1 3 366.450 3.464 20 0 FGADHM S=C(Nc1ccccc1OCC1CC1)Nc1ccccc1-c1nn[n-]n1 ZINC000738409020 598940318 /nfs/dbraw/zinc/94/03/18/598940318.db2.gz ODQTWPBSSQCAFI-UHFFFAOYSA-N -1 3 366.450 3.464 20 0 FGADHM Cc1csc([C@@H]2CCCCN2c2ncc(-c3nnn[n-]3)cc2Cl)n1 ZINC000737454793 598940400 /nfs/dbraw/zinc/94/04/00/598940400.db2.gz GQGVKCURGZMKAQ-LBPRGKRZSA-N -1 3 361.862 3.412 20 0 FGADHM Cc1csc([C@@H]2CCCCN2c2ncc(-c3nn[n-]n3)cc2Cl)n1 ZINC000737454793 598940401 /nfs/dbraw/zinc/94/04/01/598940401.db2.gz GQGVKCURGZMKAQ-LBPRGKRZSA-N -1 3 361.862 3.412 20 0 FGADHM CC[C@@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)c1nc2ccccc2[nH]1 ZINC000736367923 598941483 /nfs/dbraw/zinc/94/14/83/598941483.db2.gz DINDYGDUYYMDKG-LLVKDONJSA-N -1 3 354.805 3.355 20 0 FGADHM CC[C@@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)c1nc2ccccc2[nH]1 ZINC000736367923 598941484 /nfs/dbraw/zinc/94/14/84/598941484.db2.gz DINDYGDUYYMDKG-LLVKDONJSA-N -1 3 354.805 3.355 20 0 FGADHM Cc1ccc(N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)cc1Cl ZINC000737358887 598960509 /nfs/dbraw/zinc/96/05/09/598960509.db2.gz AYRWFIAYSWFLTL-MRXNPFEDSA-N -1 3 368.828 3.046 20 0 FGADHM Cc1ccc(N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)cc1Cl ZINC000737358887 598960510 /nfs/dbraw/zinc/96/05/10/598960510.db2.gz AYRWFIAYSWFLTL-MRXNPFEDSA-N -1 3 368.828 3.046 20 0 FGADHM Cc1ccc(NC(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1OC(F)F ZINC000737359489 598963221 /nfs/dbraw/zinc/96/32/21/598963221.db2.gz HKGCACCKFQZGIE-UHFFFAOYSA-N -1 3 360.324 3.421 20 0 FGADHM Cc1ccc(NC(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1OC(F)F ZINC000737359489 598963222 /nfs/dbraw/zinc/96/32/22/598963222.db2.gz HKGCACCKFQZGIE-UHFFFAOYSA-N -1 3 360.324 3.421 20 0 FGADHM CCO[C@@H]1C[C@H](N(C)c2ncc(-c3nnn[n-]3)cc2Cl)C12CCCC2 ZINC000736608171 598977771 /nfs/dbraw/zinc/97/77/71/598977771.db2.gz AMZSTBHRHIISFN-UONOGXRCSA-N -1 3 362.865 3.089 20 0 FGADHM CCO[C@@H]1C[C@H](N(C)c2ncc(-c3nn[n-]n3)cc2Cl)C12CCCC2 ZINC000736608171 598977773 /nfs/dbraw/zinc/97/77/73/598977773.db2.gz AMZSTBHRHIISFN-UONOGXRCSA-N -1 3 362.865 3.089 20 0 FGADHM Cc1cccnc1[C@@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)C(C)C ZINC000737436340 599009086 /nfs/dbraw/zinc/00/90/86/599009086.db2.gz RMSFOTDWXAQGTO-LENZSSGSSA-N -1 3 362.437 3.097 20 0 FGADHM Cc1cccnc1[C@@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)C(C)C ZINC000737436340 599009088 /nfs/dbraw/zinc/00/90/88/599009088.db2.gz RMSFOTDWXAQGTO-LENZSSGSSA-N -1 3 362.437 3.097 20 0 FGADHM NC(=O)[C@@H](Sc1ccc2ccccc2c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737740525 599012179 /nfs/dbraw/zinc/01/21/79/599012179.db2.gz NOTMSUIWDZPGJQ-KRWDZBQOSA-N -1 3 361.430 3.339 20 0 FGADHM NC(=O)[C@@H](Sc1ccc2ccccc2c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737740525 599012181 /nfs/dbraw/zinc/01/21/81/599012181.db2.gz NOTMSUIWDZPGJQ-KRWDZBQOSA-N -1 3 361.430 3.339 20 0 FGADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)OCCCc1ccc(Cl)cc1 ZINC000737955981 599016275 /nfs/dbraw/zinc/01/62/75/599016275.db2.gz QUGPHNFWHSGQAJ-UHFFFAOYSA-N -1 3 356.813 3.239 20 0 FGADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)OCCCc1ccc(Cl)cc1 ZINC000737955981 599016277 /nfs/dbraw/zinc/01/62/77/599016277.db2.gz QUGPHNFWHSGQAJ-UHFFFAOYSA-N -1 3 356.813 3.239 20 0 FGADHM Cc1cc(NCCOc2cccc(-c3nnn[n-]3)c2)ccc1Br ZINC000737281731 599325835 /nfs/dbraw/zinc/32/58/35/599325835.db2.gz XHSMWOGXVAJKAT-UHFFFAOYSA-N -1 3 374.242 3.429 20 0 FGADHM Cc1cc(NCCOc2cccc(-c3nn[n-]n3)c2)ccc1Br ZINC000737281731 599325837 /nfs/dbraw/zinc/32/58/37/599325837.db2.gz XHSMWOGXVAJKAT-UHFFFAOYSA-N -1 3 374.242 3.429 20 0 FGADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)N(CC1CC1)CC1CC1 ZINC000737833505 599017878 /nfs/dbraw/zinc/01/78/78/599017878.db2.gz UVFSCLRXUGPHDJ-UHFFFAOYSA-N -1 3 369.469 3.064 20 0 FGADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)N(CC1CC1)CC1CC1 ZINC000737833505 599017880 /nfs/dbraw/zinc/01/78/80/599017880.db2.gz UVFSCLRXUGPHDJ-UHFFFAOYSA-N -1 3 369.469 3.064 20 0 FGADHM CCCCOc1ccccc1COC(=O)c1sccc1-c1nnn[n-]1 ZINC000736463576 599026742 /nfs/dbraw/zinc/02/67/42/599026742.db2.gz PYLHTGDTRFJXNY-UHFFFAOYSA-N -1 3 358.423 3.464 20 0 FGADHM Cc1cccc([C@@H](C)CNC(=S)Nc2ccccc2-c2nnn[n-]2)c1 ZINC000737390532 599033236 /nfs/dbraw/zinc/03/32/36/599033236.db2.gz UQQNXEGFCNGMDQ-ZDUSSCGKSA-N -1 3 352.467 3.265 20 0 FGADHM Cc1cccc([C@@H](C)CNC(=S)Nc2ccccc2-c2nn[n-]n2)c1 ZINC000737390532 599033238 /nfs/dbraw/zinc/03/32/38/599033238.db2.gz UQQNXEGFCNGMDQ-ZDUSSCGKSA-N -1 3 352.467 3.265 20 0 FGADHM CCc1ccc(CN(C)c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)cc1 ZINC000736687377 599039457 /nfs/dbraw/zinc/03/94/57/599039457.db2.gz BDUHUAFNENHOAV-UHFFFAOYSA-N -1 3 362.359 3.479 20 0 FGADHM CCc1ccc(CN(C)c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)cc1 ZINC000736687377 599039460 /nfs/dbraw/zinc/03/94/60/599039460.db2.gz BDUHUAFNENHOAV-UHFFFAOYSA-N -1 3 362.359 3.479 20 0 FGADHM COc1ccc(CNc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)cc1F ZINC000737095798 599041882 /nfs/dbraw/zinc/04/18/82/599041882.db2.gz OBJPYIPOAPXJSC-UHFFFAOYSA-N -1 3 368.294 3.040 20 0 FGADHM COc1ccc(CNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)cc1F ZINC000737095798 599041884 /nfs/dbraw/zinc/04/18/84/599041884.db2.gz OBJPYIPOAPXJSC-UHFFFAOYSA-N -1 3 368.294 3.040 20 0 FGADHM Cc1cccc(C2(O)CCN(c3cccc(F)c3-c3nnn[n-]3)CC2)c1C ZINC000822299485 599048129 /nfs/dbraw/zinc/04/81/29/599048129.db2.gz KMHXILCBYDFBOH-UHFFFAOYSA-N -1 3 367.428 3.111 20 0 FGADHM Cc1cccc(C2(O)CCN(c3cccc(F)c3-c3nn[n-]n3)CC2)c1C ZINC000822299485 599048133 /nfs/dbraw/zinc/04/81/33/599048133.db2.gz KMHXILCBYDFBOH-UHFFFAOYSA-N -1 3 367.428 3.111 20 0 FGADHM C[C@@H]1CN(c2nc3c(cc2-c2nnn[n-]2)CCC3)CC[C@@H]1c1ccccc1 ZINC000820776810 599050303 /nfs/dbraw/zinc/05/03/03/599050303.db2.gz NHKWZEHCXAQCBD-PBHICJAKSA-N -1 3 360.465 3.380 20 0 FGADHM C[C@@H]1CN(c2nc3c(cc2-c2nn[n-]n2)CCC3)CC[C@@H]1c1ccccc1 ZINC000820776810 599050306 /nfs/dbraw/zinc/05/03/06/599050306.db2.gz NHKWZEHCXAQCBD-PBHICJAKSA-N -1 3 360.465 3.380 20 0 FGADHM Cc1cccc([C@@H](C)CNC(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737390377 599053361 /nfs/dbraw/zinc/05/33/61/599053361.db2.gz SRFOURJQCIUPKU-GJZGRUSLSA-N -1 3 364.453 3.339 20 0 FGADHM Cc1cccc([C@@H](C)CNC(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737390377 599053365 /nfs/dbraw/zinc/05/33/65/599053365.db2.gz SRFOURJQCIUPKU-GJZGRUSLSA-N -1 3 364.453 3.339 20 0 FGADHM Cc1cccc([C@@H](C)CNC(=O)Nc2cc(-c3nnn[n-]3)ccc2C)c1 ZINC000737388043 599058533 /nfs/dbraw/zinc/05/85/33/599058533.db2.gz KGJSBTJZQOBQCJ-AWEZNQCLSA-N -1 3 350.426 3.409 20 0 FGADHM Cc1cccc([C@@H](C)CNC(=O)Nc2cc(-c3nn[n-]n3)ccc2C)c1 ZINC000737388043 599058536 /nfs/dbraw/zinc/05/85/36/599058536.db2.gz KGJSBTJZQOBQCJ-AWEZNQCLSA-N -1 3 350.426 3.409 20 0 FGADHM Cc1cccc([C@@H](C)CNC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000737390001 599058851 /nfs/dbraw/zinc/05/88/51/599058851.db2.gz RDHCBFNGDQSNIQ-LBPRGKRZSA-N -1 3 354.389 3.239 20 0 FGADHM Cc1cccc([C@@H](C)CNC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000737390001 599058854 /nfs/dbraw/zinc/05/88/54/599058854.db2.gz RDHCBFNGDQSNIQ-LBPRGKRZSA-N -1 3 354.389 3.239 20 0 FGADHM COc1cc(CNc2c(F)cc(-c3nnn[n-]3)cc2F)c2ccccc2n1 ZINC000821717716 599062560 /nfs/dbraw/zinc/06/25/60/599062560.db2.gz VRCPHUNFKRXGNV-UHFFFAOYSA-N -1 3 368.347 3.314 20 0 FGADHM COc1cc(CNc2c(F)cc(-c3nn[n-]n3)cc2F)c2ccccc2n1 ZINC000821717716 599062563 /nfs/dbraw/zinc/06/25/63/599062563.db2.gz VRCPHUNFKRXGNV-UHFFFAOYSA-N -1 3 368.347 3.314 20 0 FGADHM COc1cccc(O[C@H](C)CNc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000821873553 599063213 /nfs/dbraw/zinc/06/32/13/599063213.db2.gz VLJYPDGPXNBTCT-LLVKDONJSA-N -1 3 359.817 3.408 20 0 FGADHM COc1cccc(O[C@H](C)CNc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000821873553 599063216 /nfs/dbraw/zinc/06/32/16/599063216.db2.gz VLJYPDGPXNBTCT-LLVKDONJSA-N -1 3 359.817 3.408 20 0 FGADHM C[C@@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)Oc1ccccc1Cl ZINC000820281959 599065092 /nfs/dbraw/zinc/06/50/92/599065092.db2.gz ZTHJGOFJWMSXPL-VIFPVBQESA-N -1 3 365.224 3.448 20 0 FGADHM C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)Oc1ccccc1Cl ZINC000820281959 599065094 /nfs/dbraw/zinc/06/50/94/599065094.db2.gz ZTHJGOFJWMSXPL-VIFPVBQESA-N -1 3 365.224 3.448 20 0 FGADHM CN(C(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F)c1ccc(-c2nnn[n-]2)cc1F ZINC000736731510 599073675 /nfs/dbraw/zinc/07/36/75/599073675.db2.gz HAFRIKVSSXAVRW-YPMHNXCESA-N -1 3 373.338 3.051 20 0 FGADHM CN(C(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F)c1ccc(-c2nn[n-]n2)cc1F ZINC000736731510 599073677 /nfs/dbraw/zinc/07/36/77/599073677.db2.gz HAFRIKVSSXAVRW-YPMHNXCESA-N -1 3 373.338 3.051 20 0 FGADHM C[C@H]1CCC[C@H](C(=O)N2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)C1 ZINC000736244720 599074118 /nfs/dbraw/zinc/07/41/18/599074118.db2.gz MKDWNQVQPWGTIH-HOCLYGCPSA-N -1 3 369.469 3.063 20 0 FGADHM C[C@H]1CCC[C@H](C(=O)N2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)C1 ZINC000736244720 599074120 /nfs/dbraw/zinc/07/41/20/599074120.db2.gz MKDWNQVQPWGTIH-HOCLYGCPSA-N -1 3 369.469 3.063 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000738161538 599075971 /nfs/dbraw/zinc/07/59/71/599075971.db2.gz FIHXVYKBNSSGHR-JQWIXIFHSA-N -1 3 359.311 3.026 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000738161538 599075974 /nfs/dbraw/zinc/07/59/74/599075974.db2.gz FIHXVYKBNSSGHR-JQWIXIFHSA-N -1 3 359.311 3.026 20 0 FGADHM O[C@@H](CCNc1ccc(-c2nn[n-]n2)cc1C(F)(F)F)c1ccccc1 ZINC000823672383 599085988 /nfs/dbraw/zinc/08/59/88/599085988.db2.gz DMGZDBQTOUBFNR-HNNXBMFYSA-N -1 3 363.343 3.421 20 0 FGADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1C[C@H](C)CCC[C@H]1C ZINC000736244574 599086539 /nfs/dbraw/zinc/08/65/39/599086539.db2.gz KFXITWDXYNJOJY-RKVPGOIHSA-N -1 3 371.485 3.307 20 0 FGADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1C[C@H](C)CCC[C@H]1C ZINC000736244574 599086542 /nfs/dbraw/zinc/08/65/42/599086542.db2.gz KFXITWDXYNJOJY-RKVPGOIHSA-N -1 3 371.485 3.307 20 0 FGADHM Fc1cc(F)c2ncc(-c3nnn[n-]3)c(N3CCC4(CCCC4)C3)c2c1 ZINC000822753154 599093291 /nfs/dbraw/zinc/09/32/91/599093291.db2.gz GUONYBYLGFFBIV-UHFFFAOYSA-N -1 3 356.380 3.464 20 0 FGADHM Fc1cc(F)c2ncc(-c3nn[n-]n3)c(N3CCC4(CCCC4)C3)c2c1 ZINC000822753154 599093294 /nfs/dbraw/zinc/09/32/94/599093294.db2.gz GUONYBYLGFFBIV-UHFFFAOYSA-N -1 3 356.380 3.464 20 0 FGADHM C[C@@H](NC(=O)CSc1ccccc1-c1nnn[n-]1)c1ccc(Cl)cc1 ZINC000736112490 599108964 /nfs/dbraw/zinc/10/89/64/599108964.db2.gz SPNDZYJFLVLIPV-LLVKDONJSA-N -1 3 373.869 3.490 20 0 FGADHM C[C@@H](NC(=O)CSc1ccccc1-c1nn[n-]n1)c1ccc(Cl)cc1 ZINC000736112490 599108966 /nfs/dbraw/zinc/10/89/66/599108966.db2.gz SPNDZYJFLVLIPV-LLVKDONJSA-N -1 3 373.869 3.490 20 0 FGADHM O[C@H](C[C@H]1CCCN1c1c(F)cc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000823674932 599109791 /nfs/dbraw/zinc/10/97/91/599109791.db2.gz UFBJTRBLOLCXSL-RHSMWYFYSA-N -1 3 371.391 3.237 20 0 FGADHM O[C@H](C[C@H]1CCCN1c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000823674932 599109794 /nfs/dbraw/zinc/10/97/94/599109794.db2.gz UFBJTRBLOLCXSL-RHSMWYFYSA-N -1 3 371.391 3.237 20 0 FGADHM Fc1cccc(-n2ccc(CSc3ccccc3-c3nnn[n-]3)n2)c1 ZINC000737664775 599111634 /nfs/dbraw/zinc/11/16/34/599111634.db2.gz DMHKDSHPPFNEAC-UHFFFAOYSA-N -1 3 352.398 3.484 20 0 FGADHM Fc1cccc(-n2ccc(CSc3ccccc3-c3nn[n-]n3)n2)c1 ZINC000737664775 599111637 /nfs/dbraw/zinc/11/16/37/599111637.db2.gz DMHKDSHPPFNEAC-UHFFFAOYSA-N -1 3 352.398 3.484 20 0 FGADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccc(OC2CCC2)cc1 ZINC000821609591 599139919 /nfs/dbraw/zinc/13/99/19/599139919.db2.gz DCTWNTSLDYQSRZ-UHFFFAOYSA-N -1 3 363.421 3.070 20 0 FGADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccc(OC2CCC2)cc1 ZINC000821609591 599139922 /nfs/dbraw/zinc/13/99/22/599139922.db2.gz DCTWNTSLDYQSRZ-UHFFFAOYSA-N -1 3 363.421 3.070 20 0 FGADHM CCN(C(=O)[C@H](C)c1ccc(C)o1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821149287 599143844 /nfs/dbraw/zinc/14/38/44/599143844.db2.gz UWLXUXNVHXPWFR-KGLIPLIRSA-N -1 3 353.426 3.481 20 0 FGADHM CCN(C(=O)[C@H](C)c1ccc(C)o1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821149287 599143845 /nfs/dbraw/zinc/14/38/45/599143845.db2.gz UWLXUXNVHXPWFR-KGLIPLIRSA-N -1 3 353.426 3.481 20 0 FGADHM O=C(C[C@H]1CCc2ccccc21)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737820336 599146224 /nfs/dbraw/zinc/14/62/24/599146224.db2.gz QTVCEWSFRSZVAD-CYBMUJFWSA-N -1 3 352.369 3.169 20 0 FGADHM O=C(C[C@H]1CCc2ccccc21)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737820336 599146226 /nfs/dbraw/zinc/14/62/26/599146226.db2.gz QTVCEWSFRSZVAD-CYBMUJFWSA-N -1 3 352.369 3.169 20 0 FGADHM Fc1ccc(Br)c(OCc2cc(-c3nnn[n-]3)ccc2F)c1 ZINC000822761481 607259163 /nfs/dbraw/zinc/25/91/63/607259163.db2.gz NLRVCSLFSLOIBE-UHFFFAOYSA-N -1 3 367.153 3.486 20 0 FGADHM Fc1ccc(Br)c(OCc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC000822761481 607259164 /nfs/dbraw/zinc/25/91/64/607259164.db2.gz NLRVCSLFSLOIBE-UHFFFAOYSA-N -1 3 367.153 3.486 20 0 FGADHM O=[S@](Cc1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)c(Cl)c1 ZINC000823612833 599154171 /nfs/dbraw/zinc/15/41/71/599154171.db2.gz DDDRRYYXHLFNQA-JOCHJYFZSA-N -1 3 353.234 3.481 20 0 FGADHM O=[S@](Cc1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)c(Cl)c1 ZINC000823612833 599154173 /nfs/dbraw/zinc/15/41/73/599154173.db2.gz DDDRRYYXHLFNQA-JOCHJYFZSA-N -1 3 353.234 3.481 20 0 FGADHM C[C@H](NCc1cccc(-c2nnn[n-]2)c1)c1nc(C2CCCCC2)no1 ZINC000820432161 599157371 /nfs/dbraw/zinc/15/73/71/599157371.db2.gz MOHYWKNUBGRRSN-LBPRGKRZSA-N -1 3 353.430 3.148 20 0 FGADHM C[C@H](NCc1cccc(-c2nn[n-]n2)c1)c1nc(C2CCCCC2)no1 ZINC000820432161 599157374 /nfs/dbraw/zinc/15/73/74/599157374.db2.gz MOHYWKNUBGRRSN-LBPRGKRZSA-N -1 3 353.430 3.148 20 0 FGADHM Cc1ccc(N2CCC[C@H](Sc3ccc(-c4nnn[n-]4)cc3)C2=O)cc1 ZINC000737350322 599163611 /nfs/dbraw/zinc/16/36/11/599163611.db2.gz FFXZHVFPFFHOFC-KRWDZBQOSA-N -1 3 365.462 3.463 20 0 FGADHM Cc1ccc(N2CCC[C@H](Sc3ccc(-c4nn[n-]n4)cc3)C2=O)cc1 ZINC000737350322 599163612 /nfs/dbraw/zinc/16/36/12/599163612.db2.gz FFXZHVFPFFHOFC-KRWDZBQOSA-N -1 3 365.462 3.463 20 0 FGADHM CC(C)(C)c1ccc([C@@H](O)CNc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000735648823 599171168 /nfs/dbraw/zinc/17/11/68/599171168.db2.gz HVRZQADKZHCXIG-INIZCTEOSA-N -1 3 355.417 3.449 20 0 FGADHM CC(C)(C)c1ccc([C@@H](O)CNc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000735648823 599171172 /nfs/dbraw/zinc/17/11/72/599171172.db2.gz HVRZQADKZHCXIG-INIZCTEOSA-N -1 3 355.417 3.449 20 0 FGADHM COC(C)(C)C[C@@H](C)NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736957775 599174178 /nfs/dbraw/zinc/17/41/78/599174178.db2.gz KSABRVONNFEAFR-SECBINFHSA-N -1 3 368.894 3.010 20 0 FGADHM COC(C)(C)C[C@@H](C)NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736957775 599174180 /nfs/dbraw/zinc/17/41/80/599174180.db2.gz KSABRVONNFEAFR-SECBINFHSA-N -1 3 368.894 3.010 20 0 FGADHM CC(C)(C)[C@H]1CCCN(C(=O)NCc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000735598374 599187673 /nfs/dbraw/zinc/18/76/73/599187673.db2.gz ZAJKNNFZIYMAIV-INIZCTEOSA-N -1 3 356.474 3.225 20 0 FGADHM CC(C)(C)[C@H]1CCCN(C(=O)NCc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000735598374 599187676 /nfs/dbraw/zinc/18/76/76/599187676.db2.gz ZAJKNNFZIYMAIV-INIZCTEOSA-N -1 3 356.474 3.225 20 0 FGADHM Cc1cc(NC(=O)COc2ccccc2-c2nnn[n-]2)c2cccnc2c1C ZINC000822208366 599197682 /nfs/dbraw/zinc/19/76/82/599197682.db2.gz OPIBQXQUVRNIFK-UHFFFAOYSA-N -1 3 374.404 3.049 20 0 FGADHM Cc1cc(NC(=O)COc2ccccc2-c2nn[n-]n2)c2cccnc2c1C ZINC000822208366 599197683 /nfs/dbraw/zinc/19/76/83/599197683.db2.gz OPIBQXQUVRNIFK-UHFFFAOYSA-N -1 3 374.404 3.049 20 0 FGADHM C[C@@H]1C[C@@H]1NC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000736235060 599198923 /nfs/dbraw/zinc/19/89/23/599198923.db2.gz CZVRUFBBCNYNDR-BMIGLBTASA-N -1 3 369.812 3.451 20 0 FGADHM C[C@@H]1C[C@@H]1NC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000736235060 599198926 /nfs/dbraw/zinc/19/89/26/599198926.db2.gz CZVRUFBBCNYNDR-BMIGLBTASA-N -1 3 369.812 3.451 20 0 FGADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C[C@@H](C)n1cccc1 ZINC000735830043 599199084 /nfs/dbraw/zinc/19/90/84/599199084.db2.gz ATEXFPJHXFVKKM-MRXNPFEDSA-N -1 3 366.469 3.304 20 0 FGADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C[C@@H](C)n1cccc1 ZINC000735830043 599199086 /nfs/dbraw/zinc/19/90/86/599199086.db2.gz ATEXFPJHXFVKKM-MRXNPFEDSA-N -1 3 366.469 3.304 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cc2c(ccc(C)c2C)[nH]1 ZINC000737061615 599200173 /nfs/dbraw/zinc/20/01/73/599200173.db2.gz BPNJPETWXIMQDU-UHFFFAOYSA-N -1 3 362.393 3.226 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc2c(ccc(C)c2C)[nH]1 ZINC000737061615 599200175 /nfs/dbraw/zinc/20/01/75/599200175.db2.gz BPNJPETWXIMQDU-UHFFFAOYSA-N -1 3 362.393 3.226 20 0 FGADHM Cc1cc(F)cc2[nH]c(C(=O)Nc3cc(-c4nnn[n-]4)ccc3C)cc21 ZINC000737294824 599200641 /nfs/dbraw/zinc/20/06/41/599200641.db2.gz QUWRWDCQRMFLRY-UHFFFAOYSA-N -1 3 350.357 3.356 20 0 FGADHM Cc1cc(F)cc2[nH]c(C(=O)Nc3cc(-c4nn[n-]n4)ccc3C)cc21 ZINC000737294824 599200643 /nfs/dbraw/zinc/20/06/43/599200643.db2.gz QUWRWDCQRMFLRY-UHFFFAOYSA-N -1 3 350.357 3.356 20 0 FGADHM Cc1ccc(OC2CCN(c3cccc(F)c3-c3nnn[n-]3)CC2)cc1 ZINC000737364235 599206156 /nfs/dbraw/zinc/20/61/56/599206156.db2.gz KEXUXTNAMPGLCI-UHFFFAOYSA-N -1 3 353.401 3.362 20 0 FGADHM Cc1ccc(OC2CCN(c3cccc(F)c3-c3nn[n-]n3)CC2)cc1 ZINC000737364235 599206158 /nfs/dbraw/zinc/20/61/58/599206158.db2.gz KEXUXTNAMPGLCI-UHFFFAOYSA-N -1 3 353.401 3.362 20 0 FGADHM CCO[C@H](C)C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000821347678 599218056 /nfs/dbraw/zinc/21/80/56/599218056.db2.gz ZMSDUCSVXROTRH-LLVKDONJSA-N -1 3 371.372 3.162 20 0 FGADHM CCO[C@H](C)C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000821347678 599218058 /nfs/dbraw/zinc/21/80/58/599218058.db2.gz ZMSDUCSVXROTRH-LLVKDONJSA-N -1 3 371.372 3.162 20 0 FGADHM CC[C@H](C)N(Cc1ccccc1)C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000736325919 599218257 /nfs/dbraw/zinc/21/82/57/599218257.db2.gz KWDQYRSTQHFQFX-HNNXBMFYSA-N -1 3 364.453 3.377 20 0 FGADHM CC[C@H](C)N(Cc1ccccc1)C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000736325919 599218259 /nfs/dbraw/zinc/21/82/59/599218259.db2.gz KWDQYRSTQHFQFX-HNNXBMFYSA-N -1 3 364.453 3.377 20 0 FGADHM CCOc1cccc(NC(=S)N(C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000821430904 599225826 /nfs/dbraw/zinc/22/58/26/599225826.db2.gz IOCLYAQYTVKALK-UHFFFAOYSA-N -1 3 354.439 3.099 20 0 FGADHM CCOc1cccc(NC(=S)N(C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000821430904 599225827 /nfs/dbraw/zinc/22/58/27/599225827.db2.gz IOCLYAQYTVKALK-UHFFFAOYSA-N -1 3 354.439 3.099 20 0 FGADHM CC[C@@H]1CN(C(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CCS1 ZINC000820995216 599230266 /nfs/dbraw/zinc/23/02/66/599230266.db2.gz OFIRSKKEERRRPY-SNVBAGLBSA-N -1 3 368.919 3.044 20 0 FGADHM CC[C@@H]1CN(C(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CCS1 ZINC000820995216 599230269 /nfs/dbraw/zinc/23/02/69/599230269.db2.gz OFIRSKKEERRRPY-SNVBAGLBSA-N -1 3 368.919 3.044 20 0 FGADHM CN(C(=O)c1ncc(-c2nnn[n-]2)cc1Cl)c1ccc2ccccc2c1 ZINC000821574426 607262942 /nfs/dbraw/zinc/26/29/42/607262942.db2.gz GICMUTOWEJGKFG-UHFFFAOYSA-N -1 3 364.796 3.345 20 0 FGADHM CN(C(=O)c1ncc(-c2nn[n-]n2)cc1Cl)c1ccc2ccccc2c1 ZINC000821574426 607262943 /nfs/dbraw/zinc/26/29/43/607262943.db2.gz GICMUTOWEJGKFG-UHFFFAOYSA-N -1 3 364.796 3.345 20 0 FGADHM C[C@H]1C[C@H](NC(=O)Nc2ccccc2CC(=O)[O-])CN1Cc1ccccc1 ZINC000398035697 596980030 /nfs/dbraw/zinc/98/00/30/596980030.db2.gz NAKFIOUDHNFGGX-YJBOKZPZSA-N -1 3 367.449 3.098 20 0 FGADHM CS[C@H]1CC[C@@H](NC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000821951277 599228555 /nfs/dbraw/zinc/22/85/55/599228555.db2.gz VVSSHAGYSZMUAW-SCZZXKLOSA-N -1 3 368.919 3.091 20 0 FGADHM CS[C@H]1CC[C@@H](NC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000821951277 599228557 /nfs/dbraw/zinc/22/85/57/599228557.db2.gz VVSSHAGYSZMUAW-SCZZXKLOSA-N -1 3 368.919 3.091 20 0 FGADHM Fc1ccc(CCNc2ccc(Br)cc2-c2nnn[n-]2)cc1 ZINC000737648498 599362086 /nfs/dbraw/zinc/36/20/86/599362086.db2.gz KCXWPJAXTADRCH-UHFFFAOYSA-N -1 3 362.206 3.423 20 0 FGADHM Fc1ccc(CCNc2ccc(Br)cc2-c2nn[n-]n2)cc1 ZINC000737648498 599362088 /nfs/dbraw/zinc/36/20/88/599362088.db2.gz KCXWPJAXTADRCH-UHFFFAOYSA-N -1 3 362.206 3.423 20 0 FGADHM Cc1c(NC(=O)Cc2c[nH]c3ccc(Cl)cc23)cccc1-c1nnn[n-]1 ZINC000822075625 607267156 /nfs/dbraw/zinc/26/71/56/607267156.db2.gz FZAUUILBFOSNDL-UHFFFAOYSA-N -1 3 366.812 3.491 20 0 FGADHM Cc1c(NC(=O)Cc2c[nH]c3ccc(Cl)cc23)cccc1-c1nn[n-]n1 ZINC000822075625 607267157 /nfs/dbraw/zinc/26/71/57/607267157.db2.gz FZAUUILBFOSNDL-UHFFFAOYSA-N -1 3 366.812 3.491 20 0 FGADHM C[C@H](NC(=S)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1cccs1 ZINC000820403954 599237900 /nfs/dbraw/zinc/23/79/00/599237900.db2.gz NLRWGYBFTDKHMB-QWRGUYRKSA-N -1 3 358.496 3.215 20 0 FGADHM C[C@H](NC(=S)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1cccs1 ZINC000820403954 599237902 /nfs/dbraw/zinc/23/79/02/599237902.db2.gz NLRWGYBFTDKHMB-QWRGUYRKSA-N -1 3 358.496 3.215 20 0 FGADHM CCc1cccc(NC(=S)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000821492660 599238476 /nfs/dbraw/zinc/23/84/76/599238476.db2.gz SAOOARMODYUQAA-GFCCVEGCSA-N -1 3 352.467 3.477 20 0 FGADHM CCc1cccc(NC(=S)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000821492660 599238478 /nfs/dbraw/zinc/23/84/78/599238478.db2.gz SAOOARMODYUQAA-GFCCVEGCSA-N -1 3 352.467 3.477 20 0 FGADHM CC[C@H]1CCCN(C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)CC1 ZINC000736401030 599239727 /nfs/dbraw/zinc/23/97/27/599239727.db2.gz GBEVRGRFRBFUEA-ZDUSSCGKSA-N -1 3 359.478 3.467 20 0 FGADHM CC[C@H]1CCCN(C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)CC1 ZINC000736401030 599239729 /nfs/dbraw/zinc/23/97/29/599239729.db2.gz GBEVRGRFRBFUEA-ZDUSSCGKSA-N -1 3 359.478 3.467 20 0 FGADHM Cc1c(NC(=O)CCSc2ccccc2F)cccc1-c1nnn[n-]1 ZINC000822067397 607269616 /nfs/dbraw/zinc/26/96/16/607269616.db2.gz JMEPNTMLUPKNSN-UHFFFAOYSA-N -1 3 357.414 3.435 20 0 FGADHM Cc1c(NC(=O)CCSc2ccccc2F)cccc1-c1nn[n-]n1 ZINC000822067397 607269617 /nfs/dbraw/zinc/26/96/17/607269617.db2.gz JMEPNTMLUPKNSN-UHFFFAOYSA-N -1 3 357.414 3.435 20 0 FGADHM C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000736233664 599248281 /nfs/dbraw/zinc/24/82/81/599248281.db2.gz GEQUYAHMEKJKBX-SJCJKPOMSA-N -1 3 351.385 3.229 20 0 FGADHM C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000736233664 599248283 /nfs/dbraw/zinc/24/82/83/599248283.db2.gz GEQUYAHMEKJKBX-SJCJKPOMSA-N -1 3 351.385 3.229 20 0 FGADHM C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736232451 599248607 /nfs/dbraw/zinc/24/86/07/599248607.db2.gz DJNZATXZILVFEB-YVEFUNNKSA-N -1 3 351.385 3.229 20 0 FGADHM C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736232451 599248608 /nfs/dbraw/zinc/24/86/08/599248608.db2.gz DJNZATXZILVFEB-YVEFUNNKSA-N -1 3 351.385 3.229 20 0 FGADHM CSc1ccc(NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821985134 599253272 /nfs/dbraw/zinc/25/32/72/599253272.db2.gz ZZTNSEYPOKYHAV-NSHDSACASA-N -1 3 354.439 3.471 20 0 FGADHM CSc1ccc(NC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821985134 599253273 /nfs/dbraw/zinc/25/32/73/599253273.db2.gz ZZTNSEYPOKYHAV-NSHDSACASA-N -1 3 354.439 3.471 20 0 FGADHM Cc1ccc(C[C@H](C)NC(=O)Nc2cccc(-c3nnn[n-]3)c2C)s1 ZINC000822234993 607282770 /nfs/dbraw/zinc/28/27/70/607282770.db2.gz NZDHUBUOOHNYSQ-JTQLQIEISA-N -1 3 356.455 3.298 20 0 FGADHM Cc1ccc(C[C@H](C)NC(=O)Nc2cccc(-c3nn[n-]n3)c2C)s1 ZINC000822234993 607282771 /nfs/dbraw/zinc/28/27/71/607282771.db2.gz NZDHUBUOOHNYSQ-JTQLQIEISA-N -1 3 356.455 3.298 20 0 FGADHM Cc1ccc([C@H](C)CNC(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1 ZINC000822229661 607288371 /nfs/dbraw/zinc/28/83/71/607288371.db2.gz YVQIOOUOPZNFQY-CYBMUJFWSA-N -1 3 350.426 3.409 20 0 FGADHM Cc1ccc([C@H](C)CNC(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1 ZINC000822229661 607288372 /nfs/dbraw/zinc/28/83/72/607288372.db2.gz YVQIOOUOPZNFQY-CYBMUJFWSA-N -1 3 350.426 3.409 20 0 FGADHM CN(C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1)C1CCC1 ZINC000821572297 599254955 /nfs/dbraw/zinc/25/49/55/599254955.db2.gz YXNSGUJFDYTZML-UHFFFAOYSA-N -1 3 365.397 3.070 20 0 FGADHM CN(C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1)C1CCC1 ZINC000821572297 599254957 /nfs/dbraw/zinc/25/49/57/599254957.db2.gz YXNSGUJFDYTZML-UHFFFAOYSA-N -1 3 365.397 3.070 20 0 FGADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)Nc1ccc(Cl)c(F)c1 ZINC000823237906 599255908 /nfs/dbraw/zinc/25/59/08/599255908.db2.gz DZTYBXHPYNOGEZ-UHFFFAOYSA-N -1 3 364.743 3.120 20 0 FGADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)Nc1ccc(Cl)c(F)c1 ZINC000823237906 599255911 /nfs/dbraw/zinc/25/59/11/599255911.db2.gz DZTYBXHPYNOGEZ-UHFFFAOYSA-N -1 3 364.743 3.120 20 0 FGADHM Cc1c(NC(=O)NCc2ccc([C@@H]3C[C@@H]3C)o2)cccc1-c1nnn[n-]1 ZINC000822105601 607291272 /nfs/dbraw/zinc/29/12/72/607291272.db2.gz VNSVOGIVOPMJQV-IINYFYTJSA-N -1 3 352.398 3.213 20 0 FGADHM Cc1c(NC(=O)NCc2ccc([C@@H]3C[C@@H]3C)o2)cccc1-c1nn[n-]n1 ZINC000822105601 607291273 /nfs/dbraw/zinc/29/12/73/607291273.db2.gz VNSVOGIVOPMJQV-IINYFYTJSA-N -1 3 352.398 3.213 20 0 FGADHM CC[C@H](NC(=O)Nc1cccc(-c2nnn[n-]2)c1C)c1nc(C)cs1 ZINC000820920765 607292120 /nfs/dbraw/zinc/29/21/20/607292120.db2.gz SLCGRBQZRURQDA-LBPRGKRZSA-N -1 3 357.443 3.213 20 0 FGADHM CC[C@H](NC(=O)Nc1cccc(-c2nn[n-]n2)c1C)c1nc(C)cs1 ZINC000820920765 607292121 /nfs/dbraw/zinc/29/21/21/607292121.db2.gz SLCGRBQZRURQDA-LBPRGKRZSA-N -1 3 357.443 3.213 20 0 FGADHM Cc1c(NC(=O)N2CCc3cc(F)ccc3[C@H]2C)cccc1-c1nnn[n-]1 ZINC000822089642 607293412 /nfs/dbraw/zinc/29/34/12/607293412.db2.gz FXFLYBMFWIZTHK-GFCCVEGCSA-N -1 3 366.400 3.465 20 0 FGADHM Cc1c(NC(=O)N2CCc3cc(F)ccc3[C@H]2C)cccc1-c1nn[n-]n1 ZINC000822089642 607293413 /nfs/dbraw/zinc/29/34/13/607293413.db2.gz FXFLYBMFWIZTHK-GFCCVEGCSA-N -1 3 366.400 3.465 20 0 FGADHM Cc1c(NC(=O)CCc2ccc([C@H]3C[C@@H]3C)o2)cccc1-c1nnn[n-]1 ZINC000822066704 607296779 /nfs/dbraw/zinc/29/67/79/607296779.db2.gz HDVNQEIROGIQEI-NHYWBVRUSA-N -1 3 351.410 3.463 20 0 FGADHM Cc1c(NC(=O)CCc2ccc([C@H]3C[C@@H]3C)o2)cccc1-c1nn[n-]n1 ZINC000822066704 607296780 /nfs/dbraw/zinc/29/67/80/607296780.db2.gz HDVNQEIROGIQEI-NHYWBVRUSA-N -1 3 351.410 3.463 20 0 FGADHM CCSCC[C@@H](C)N(C)C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821456625 599260377 /nfs/dbraw/zinc/26/03/77/599260377.db2.gz RFSXHLJKAQLIRN-OLZOCXBDSA-N -1 3 362.503 3.101 20 0 FGADHM CCSCC[C@@H](C)N(C)C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821456625 599260379 /nfs/dbraw/zinc/26/03/79/599260379.db2.gz RFSXHLJKAQLIRN-OLZOCXBDSA-N -1 3 362.503 3.101 20 0 FGADHM Cc1ccc(CC[C@@H](C)NC(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000822234985 599263627 /nfs/dbraw/zinc/26/36/27/599263627.db2.gz NSQAIKOTHRFPDV-TZMCWYRMSA-N -1 3 368.441 3.150 20 0 FGADHM Cc1ccc(CC[C@@H](C)NC(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822234985 599263630 /nfs/dbraw/zinc/26/36/30/599263630.db2.gz NSQAIKOTHRFPDV-TZMCWYRMSA-N -1 3 368.441 3.150 20 0 FGADHM COc1ccc(CNc2cccc(OC(F)(F)F)c2)cc1-c1nnn[n-]1 ZINC000821823771 607308954 /nfs/dbraw/zinc/30/89/54/607308954.db2.gz CBQYHMUBZDKUNC-UHFFFAOYSA-N -1 3 365.315 3.386 20 0 FGADHM COc1ccc(CNc2cccc(OC(F)(F)F)c2)cc1-c1nn[n-]n1 ZINC000821823771 607308955 /nfs/dbraw/zinc/30/89/55/607308955.db2.gz CBQYHMUBZDKUNC-UHFFFAOYSA-N -1 3 365.315 3.386 20 0 FGADHM O=C1CCCN1c1ccc(NCc2cc(-c3nnn[n-]3)cs2)cc1Cl ZINC000823530038 607309384 /nfs/dbraw/zinc/30/93/84/607309384.db2.gz AFNLNHMCOJOHSP-UHFFFAOYSA-N -1 3 374.857 3.321 20 0 FGADHM O=C1CCCN1c1ccc(NCc2cc(-c3nn[n-]n3)cs2)cc1Cl ZINC000823530038 607309385 /nfs/dbraw/zinc/30/93/85/607309385.db2.gz AFNLNHMCOJOHSP-UHFFFAOYSA-N -1 3 374.857 3.321 20 0 FGADHM COc1ccc(CNc2ccc(N3CCCC3)c(F)c2)cc1-c1nnn[n-]1 ZINC000821821566 607310028 /nfs/dbraw/zinc/31/00/28/607310028.db2.gz LAHSREGFAALYIS-UHFFFAOYSA-N -1 3 368.416 3.227 20 0 FGADHM COc1ccc(CNc2ccc(N3CCCC3)c(F)c2)cc1-c1nn[n-]n1 ZINC000821821566 607310029 /nfs/dbraw/zinc/31/00/29/607310029.db2.gz LAHSREGFAALYIS-UHFFFAOYSA-N -1 3 368.416 3.227 20 0 FGADHM FC(F)(F)c1cccc(NCc2cnc3ccc(-c4nnn[n-]4)cn23)c1 ZINC000822729044 607311009 /nfs/dbraw/zinc/31/10/09/607311009.db2.gz SDPSKOZKCNDKSQ-UHFFFAOYSA-N -1 3 359.315 3.145 20 0 FGADHM FC(F)(F)c1cccc(NCc2cnc3ccc(-c4nn[n-]n4)cn23)c1 ZINC000822729044 607311010 /nfs/dbraw/zinc/31/10/10/607311010.db2.gz SDPSKOZKCNDKSQ-UHFFFAOYSA-N -1 3 359.315 3.145 20 0 FGADHM O=C(c1cccc(NCc2cc(-c3nnn[n-]3)cs2)c1)N1CCCCC1 ZINC000823493171 607313552 /nfs/dbraw/zinc/31/35/52/607313552.db2.gz GTEYOZUBIUVWHW-UHFFFAOYSA-N -1 3 368.466 3.166 20 0 FGADHM O=C(c1cccc(NCc2cc(-c3nn[n-]n3)cs2)c1)N1CCCCC1 ZINC000823493171 607313553 /nfs/dbraw/zinc/31/35/53/607313553.db2.gz GTEYOZUBIUVWHW-UHFFFAOYSA-N -1 3 368.466 3.166 20 0 FGADHM Clc1cc(NCc2cc(-c3nnn[n-]3)cs2)ccc1-n1ccnc1 ZINC000822567434 607315146 /nfs/dbraw/zinc/31/51/46/607315146.db2.gz BGRMXUSYINMEFZ-UHFFFAOYSA-N -1 3 357.830 3.379 20 0 FGADHM Clc1cc(NCc2cc(-c3nn[n-]n3)cs2)ccc1-n1ccnc1 ZINC000822567434 607315147 /nfs/dbraw/zinc/31/51/47/607315147.db2.gz BGRMXUSYINMEFZ-UHFFFAOYSA-N -1 3 357.830 3.379 20 0 FGADHM CC(C)Oc1ccc(CNc2c(-c3nnn[n-]3)cnc3ccccc32)cc1 ZINC000735913419 599266603 /nfs/dbraw/zinc/26/66/03/599266603.db2.gz CQIGLUBEQPLNOF-UHFFFAOYSA-N -1 3 360.421 3.236 20 0 FGADHM CC(C)Oc1ccc(CNc2c(-c3nn[n-]n3)cnc3ccccc32)cc1 ZINC000735913419 599266604 /nfs/dbraw/zinc/26/66/04/599266604.db2.gz CQIGLUBEQPLNOF-UHFFFAOYSA-N -1 3 360.421 3.236 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC(C2CCCC2)CC1 ZINC000821763199 599272582 /nfs/dbraw/zinc/27/25/82/599272582.db2.gz VQCVNHACSJETTD-UHFFFAOYSA-N -1 3 370.457 3.309 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC(C2CCCC2)CC1 ZINC000821763199 599272584 /nfs/dbraw/zinc/27/25/84/599272584.db2.gz VQCVNHACSJETTD-UHFFFAOYSA-N -1 3 370.457 3.309 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NC[C@@H](C)c1ccc(F)cc1F ZINC000822220222 599273797 /nfs/dbraw/zinc/27/37/97/599273797.db2.gz IZAICZYRZNSMSU-LLVKDONJSA-N -1 3 372.379 3.379 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NC[C@@H](C)c1ccc(F)cc1F ZINC000822220222 599273799 /nfs/dbraw/zinc/27/37/99/599273799.db2.gz IZAICZYRZNSMSU-LLVKDONJSA-N -1 3 372.379 3.379 20 0 FGADHM C[C@@H](Sc1nc2sccc2c(=O)n1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736193274 599287554 /nfs/dbraw/zinc/28/75/54/599287554.db2.gz QXVBKFVNYNTZMR-SECBINFHSA-N -1 3 370.463 3.028 20 0 FGADHM C[C@@H](Sc1nc2sccc2c(=O)n1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736193274 599287557 /nfs/dbraw/zinc/28/75/57/599287557.db2.gz QXVBKFVNYNTZMR-SECBINFHSA-N -1 3 370.463 3.028 20 0 FGADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)[C@@H]2CSc3ccccc32)s1 ZINC000736679249 599292199 /nfs/dbraw/zinc/29/21/99/599292199.db2.gz PMDGFPXLBUKSIE-GFCCVEGCSA-N -1 3 357.464 3.319 20 0 FGADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)[C@@H]2CSc3ccccc32)s1 ZINC000736679249 599292200 /nfs/dbraw/zinc/29/22/00/599292200.db2.gz PMDGFPXLBUKSIE-GFCCVEGCSA-N -1 3 357.464 3.319 20 0 FGADHM Cc1ccc(C(=O)C2CCN(c3ccc(-c4nn[n-]n4)cc3F)CC2)cc1 ZINC000737308740 598240552 /nfs/dbraw/zinc/24/05/52/598240552.db2.gz NOYYGSCTYMOWNZ-UHFFFAOYSA-N -1 3 365.412 3.414 20 0 FGADHM CCn1c(CCNc2ccc(-c3nn[n-]n3)cc2F)nc2ccccc21 ZINC000736719234 598243041 /nfs/dbraw/zinc/24/30/41/598243041.db2.gz BNIUNQXIKGTHID-UHFFFAOYSA-N -1 3 351.389 3.030 20 0 FGADHM CC[C@H](NC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1)c1nc(C)cs1 ZINC000736362458 598255161 /nfs/dbraw/zinc/25/51/61/598255161.db2.gz JHIWGGYEVMVNMV-RISCZKNCSA-N -1 3 371.470 3.143 20 0 FGADHM CC[C@H](NC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1)c1nc(C)cs1 ZINC000736362458 598255162 /nfs/dbraw/zinc/25/51/62/598255162.db2.gz JHIWGGYEVMVNMV-RISCZKNCSA-N -1 3 371.470 3.143 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1OS(=O)(=O)c1ccc(C(C)C)cc1 ZINC000737222306 598274421 /nfs/dbraw/zinc/27/44/21/598274421.db2.gz WZOPZMYNMABTLC-UHFFFAOYSA-N -1 3 358.423 3.066 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1OS(=O)(=O)c1ccc(C(C)C)cc1 ZINC000737222306 598274422 /nfs/dbraw/zinc/27/44/22/598274422.db2.gz WZOPZMYNMABTLC-UHFFFAOYSA-N -1 3 358.423 3.066 20 0 FGADHM Cn1ccnc1[C@H](Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccccc1 ZINC000737616706 598275338 /nfs/dbraw/zinc/27/53/38/598275338.db2.gz VZZPPJHZKKNHIA-MRXNPFEDSA-N -1 3 365.828 3.455 20 0 FGADHM Cn1ccnc1[C@H](Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccccc1 ZINC000737616706 598275339 /nfs/dbraw/zinc/27/53/39/598275339.db2.gz VZZPPJHZKKNHIA-MRXNPFEDSA-N -1 3 365.828 3.455 20 0 FGADHM FC(F)(F)c1cc(NCCc2cn3ccccc3n2)ccc1-c1nnn[n-]1 ZINC000737632892 598276097 /nfs/dbraw/zinc/27/60/97/598276097.db2.gz OLQVNRGXJIKGTE-UHFFFAOYSA-N -1 3 373.342 3.188 20 0 FGADHM FC(F)(F)c1cc(NCCc2cn3ccccc3n2)ccc1-c1nn[n-]n1 ZINC000737632892 598276098 /nfs/dbraw/zinc/27/60/98/598276098.db2.gz OLQVNRGXJIKGTE-UHFFFAOYSA-N -1 3 373.342 3.188 20 0 FGADHM Cc1noc(C)c1CN(C)c1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000737538576 598276808 /nfs/dbraw/zinc/27/68/08/598276808.db2.gz VTDFRPWXGACOEN-UHFFFAOYSA-N -1 3 352.320 3.127 20 0 FGADHM Cc1cccc(CN(C)C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)c1 ZINC000737393216 598279842 /nfs/dbraw/zinc/27/98/42/598279842.db2.gz FRJMLWJSFRIBPG-UHFFFAOYSA-N -1 3 367.457 3.396 20 0 FGADHM Cc1cccc(CN(C)C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)c1 ZINC000737393216 598279843 /nfs/dbraw/zinc/27/98/43/598279843.db2.gz FRJMLWJSFRIBPG-UHFFFAOYSA-N -1 3 367.457 3.396 20 0 FGADHM CN(C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C)C(C1CC1)C1CC1 ZINC000736739329 598281233 /nfs/dbraw/zinc/28/12/33/598281233.db2.gz KXHKFGNPCOOVGC-UHFFFAOYSA-N -1 3 357.462 3.076 20 0 FGADHM CN(C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C)C(C1CC1)C1CC1 ZINC000736739329 598281234 /nfs/dbraw/zinc/28/12/34/598281234.db2.gz KXHKFGNPCOOVGC-UHFFFAOYSA-N -1 3 357.462 3.076 20 0 FGADHM Cc1ccc(C)c(SCC(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000737325382 598282539 /nfs/dbraw/zinc/28/25/39/598282539.db2.gz FMZCBRNRKBWSFP-UHFFFAOYSA-N -1 3 371.441 3.378 20 0 FGADHM Cc1ccc(C)c(SCC(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000737325382 598282540 /nfs/dbraw/zinc/28/25/40/598282540.db2.gz FMZCBRNRKBWSFP-UHFFFAOYSA-N -1 3 371.441 3.378 20 0 FGADHM CC[C@@H](NC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1)C1CCCCC1 ZINC000736361219 598283489 /nfs/dbraw/zinc/28/34/89/598283489.db2.gz GFFUABXURSQAFU-QGZVFWFLSA-N -1 3 356.474 3.367 20 0 FGADHM CC[C@@H](NC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1)C1CCCCC1 ZINC000736361219 598283490 /nfs/dbraw/zinc/28/34/90/598283490.db2.gz GFFUABXURSQAFU-QGZVFWFLSA-N -1 3 356.474 3.367 20 0 FGADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1F)c1sccc1OC(F)F ZINC000738232462 598289475 /nfs/dbraw/zinc/28/94/75/598289475.db2.gz QWXBTAUYUGVWKX-UHFFFAOYSA-N -1 3 370.312 3.026 20 0 FGADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1F)c1sccc1OC(F)F ZINC000738232462 598289478 /nfs/dbraw/zinc/28/94/78/598289478.db2.gz QWXBTAUYUGVWKX-UHFFFAOYSA-N -1 3 370.312 3.026 20 0 FGADHM Cc1ccc2c(CC(=O)N[C@@H](C)c3ccc(-c4nnn[n-]4)cc3)c[nH]c2c1 ZINC000737372000 598295961 /nfs/dbraw/zinc/29/59/61/598295961.db2.gz SUVKVCBTHOZCDF-ZDUSSCGKSA-N -1 3 360.421 3.076 20 0 FGADHM Cc1ccc2c(CC(=O)N[C@@H](C)c3ccc(-c4nn[n-]n4)cc3)c[nH]c2c1 ZINC000737372000 598295962 /nfs/dbraw/zinc/29/59/62/598295962.db2.gz SUVKVCBTHOZCDF-ZDUSSCGKSA-N -1 3 360.421 3.076 20 0 FGADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)N1CC2(CCC2)c2c1cccc2F ZINC000737954338 598297946 /nfs/dbraw/zinc/29/79/46/598297946.db2.gz JVRRXLAWIQWGBM-UHFFFAOYSA-N -1 3 363.396 3.017 20 0 FGADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)N1CC2(CCC2)c2c1cccc2F ZINC000737954338 598297947 /nfs/dbraw/zinc/29/79/47/598297947.db2.gz JVRRXLAWIQWGBM-UHFFFAOYSA-N -1 3 363.396 3.017 20 0 FGADHM CC(C)c1ccc(CCC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000735922252 598299467 /nfs/dbraw/zinc/29/94/67/598299467.db2.gz DPAMNQHMFDUDCZ-UHFFFAOYSA-N -1 3 367.428 3.378 20 0 FGADHM CC(C)c1ccc(CCC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000735922252 598299469 /nfs/dbraw/zinc/29/94/69/598299469.db2.gz DPAMNQHMFDUDCZ-UHFFFAOYSA-N -1 3 367.428 3.378 20 0 FGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)c1cc2cc(Cl)ccc2[nH]1 ZINC000738102167 598309770 /nfs/dbraw/zinc/30/97/70/598309770.db2.gz OEPSTIIHAIKMDF-UHFFFAOYSA-N -1 3 370.775 3.071 20 0 FGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)c1cc2cc(Cl)ccc2[nH]1 ZINC000738102167 598309771 /nfs/dbraw/zinc/30/97/71/598309771.db2.gz OEPSTIIHAIKMDF-UHFFFAOYSA-N -1 3 370.775 3.071 20 0 FGADHM COc1ccccc1OCCSCc1cc(-c2nnn[n-]2)ccc1F ZINC000737155246 598313438 /nfs/dbraw/zinc/31/34/38/598313438.db2.gz DWZJFQVXVJFWPM-UHFFFAOYSA-N -1 3 360.414 3.327 20 0 FGADHM COc1ccccc1OCCSCc1cc(-c2nn[n-]n2)ccc1F ZINC000737155246 598313440 /nfs/dbraw/zinc/31/34/40/598313440.db2.gz DWZJFQVXVJFWPM-UHFFFAOYSA-N -1 3 360.414 3.327 20 0 FGADHM c1csc(-c2noc(CSCc3cccc(-c4nnn[n-]4)c3)n2)c1 ZINC000738413493 598314341 /nfs/dbraw/zinc/31/43/41/598314341.db2.gz SBBCKQBXEBIZHU-UHFFFAOYSA-N -1 3 356.436 3.412 20 0 FGADHM c1csc(-c2noc(CSCc3cccc(-c4nn[n-]n4)c3)n2)c1 ZINC000738413493 598314343 /nfs/dbraw/zinc/31/43/43/598314343.db2.gz SBBCKQBXEBIZHU-UHFFFAOYSA-N -1 3 356.436 3.412 20 0 FGADHM Cc1cccc(CNC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000737394808 598319150 /nfs/dbraw/zinc/31/91/50/598319150.db2.gz XWIBHHPATJPLHD-UHFFFAOYSA-N -1 3 358.858 3.315 20 0 FGADHM Cc1cccc(CNC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000737394808 598319152 /nfs/dbraw/zinc/31/91/52/598319152.db2.gz XWIBHHPATJPLHD-UHFFFAOYSA-N -1 3 358.858 3.315 20 0 FGADHM Cc1ccc([C@@H](C)NC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1C ZINC000737320716 598319529 /nfs/dbraw/zinc/31/95/29/598319529.db2.gz ODSCCNWSDLJVFT-CYBMUJFWSA-N -1 3 368.416 3.183 20 0 FGADHM Cc1ccc([C@@H](C)NC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1C ZINC000737320716 598319531 /nfs/dbraw/zinc/31/95/31/598319531.db2.gz ODSCCNWSDLJVFT-CYBMUJFWSA-N -1 3 368.416 3.183 20 0 FGADHM CCC[C@H]1CCCC[C@@H]1NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000736434357 598320297 /nfs/dbraw/zinc/32/02/97/598320297.db2.gz FARCMMDQIHPJRE-LRDDRELGSA-N -1 3 360.437 3.164 20 0 FGADHM CCC[C@H]1CCCC[C@@H]1NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000736434357 598320299 /nfs/dbraw/zinc/32/02/99/598320299.db2.gz FARCMMDQIHPJRE-LRDDRELGSA-N -1 3 360.437 3.164 20 0 FGADHM Cc1cc(F)ccc1C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000822205699 607351141 /nfs/dbraw/zinc/35/11/41/607351141.db2.gz FNIIWRSIKDPLDW-UHFFFAOYSA-N -1 3 363.299 3.168 20 0 FGADHM Cc1cc(F)ccc1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000822205699 607351144 /nfs/dbraw/zinc/35/11/44/607351144.db2.gz FNIIWRSIKDPLDW-UHFFFAOYSA-N -1 3 363.299 3.168 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)[C@@H]1CCCc2sccc21 ZINC000823422628 607353689 /nfs/dbraw/zinc/35/36/89/607353689.db2.gz YZNDYLZYXXMLLT-GFCCVEGCSA-N -1 3 358.398 3.231 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)[C@@H]1CCCc2sccc21 ZINC000823422628 607353690 /nfs/dbraw/zinc/35/36/90/607353690.db2.gz YZNDYLZYXXMLLT-GFCCVEGCSA-N -1 3 358.398 3.231 20 0 FGADHM CC(=O)c1ccc(OCCCOc2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000735497477 598356931 /nfs/dbraw/zinc/35/69/31/598356931.db2.gz BKFMAADGOWIDRX-UHFFFAOYSA-N -1 3 356.357 3.056 20 0 FGADHM C[C@H](CC(=O)OCc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1F ZINC000735978358 598371088 /nfs/dbraw/zinc/37/10/88/598371088.db2.gz UYGUURDAYGSDDU-LLVKDONJSA-N -1 3 358.348 3.382 20 0 FGADHM C[C@H](CC(=O)OCc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1F ZINC000735978358 598371091 /nfs/dbraw/zinc/37/10/91/598371091.db2.gz UYGUURDAYGSDDU-LLVKDONJSA-N -1 3 358.348 3.382 20 0 FGADHM CO[C@H](C)c1cccc(NC(=S)Nc2ccccc2-c2nnn[n-]2)c1 ZINC000736963955 598378197 /nfs/dbraw/zinc/37/81/97/598378197.db2.gz VNRRKXUZLYALFS-LLVKDONJSA-N -1 3 354.439 3.383 20 0 FGADHM CO[C@H](C)c1cccc(NC(=S)Nc2ccccc2-c2nn[n-]n2)c1 ZINC000736963955 598378198 /nfs/dbraw/zinc/37/81/98/598378198.db2.gz VNRRKXUZLYALFS-LLVKDONJSA-N -1 3 354.439 3.383 20 0 FGADHM Cc1nc(C)c([C@H](C)N(C)C(=S)Nc2ccccc2-c2nnn[n-]2)s1 ZINC000737471721 598394566 /nfs/dbraw/zinc/39/45/66/598394566.db2.gz SJVVVAWLUBDDSU-JTQLQIEISA-N -1 3 373.511 3.330 20 0 FGADHM Cc1nc(C)c([C@H](C)N(C)C(=S)Nc2ccccc2-c2nn[n-]n2)s1 ZINC000737471721 598394567 /nfs/dbraw/zinc/39/45/67/598394567.db2.gz SJVVVAWLUBDDSU-JTQLQIEISA-N -1 3 373.511 3.330 20 0 FGADHM CO[C@@H](C)c1cccc(N[C@@H](C)C(=O)Nc2ccccc2-c2nnn[n-]2)c1 ZINC000736962053 598397273 /nfs/dbraw/zinc/39/72/73/598397273.db2.gz MZWMYYWPXGNIJY-STQMWFEESA-N -1 3 366.425 3.013 20 0 FGADHM CO[C@@H](C)c1cccc(N[C@@H](C)C(=O)Nc2ccccc2-c2nn[n-]n2)c1 ZINC000736962053 598397275 /nfs/dbraw/zinc/39/72/75/598397275.db2.gz MZWMYYWPXGNIJY-STQMWFEESA-N -1 3 366.425 3.013 20 0 FGADHM COc1ccccc1C[C@H](C)CC(=O)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000737151475 598419417 /nfs/dbraw/zinc/41/94/17/598419417.db2.gz DBXHNGUDMCXIGU-ZDUSSCGKSA-N -1 3 352.394 3.050 20 0 FGADHM COc1ccccc1C[C@H](C)CC(=O)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000737151475 598419419 /nfs/dbraw/zinc/41/94/19/598419419.db2.gz DBXHNGUDMCXIGU-ZDUSSCGKSA-N -1 3 352.394 3.050 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H](C)c1ccccc1 ZINC000736635469 598431297 /nfs/dbraw/zinc/43/12/97/598431297.db2.gz URQZQXUAVNMJMC-GFCCVEGCSA-N -1 3 352.398 3.148 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H](C)c1ccccc1 ZINC000736635469 598431299 /nfs/dbraw/zinc/43/12/99/598431299.db2.gz URQZQXUAVNMJMC-GFCCVEGCSA-N -1 3 352.398 3.148 20 0 FGADHM O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1ccc(-c2nnn[n-]2)cn1 ZINC000738146952 598440079 /nfs/dbraw/zinc/44/00/79/598440079.db2.gz UTJSRCMCBKELBB-UHFFFAOYSA-N -1 3 369.599 3.474 20 0 FGADHM O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1ccc(-c2nn[n-]n2)cn1 ZINC000738146952 598440081 /nfs/dbraw/zinc/44/00/81/598440081.db2.gz UTJSRCMCBKELBB-UHFFFAOYSA-N -1 3 369.599 3.474 20 0 FGADHM C[C@H](c1ccccc1Cl)N(C(=O)c1ccc(-c2nnn[n-]2)cn1)C1CC1 ZINC000736204908 598441833 /nfs/dbraw/zinc/44/18/33/598441833.db2.gz SVHSUUDUQJIHQZ-LLVKDONJSA-N -1 3 368.828 3.281 20 0 FGADHM C[C@H](c1ccccc1Cl)N(C(=O)c1ccc(-c2nn[n-]n2)cn1)C1CC1 ZINC000736204908 598441835 /nfs/dbraw/zinc/44/18/35/598441835.db2.gz SVHSUUDUQJIHQZ-LLVKDONJSA-N -1 3 368.828 3.281 20 0 FGADHM Cc1ccccc1S(=O)(=O)N(CC(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737432336 598452286 /nfs/dbraw/zinc/45/22/86/598452286.db2.gz VKVHGOODSOHBLO-UHFFFAOYSA-N -1 3 371.466 3.026 20 0 FGADHM COc1ccc(COCCCNc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000737098690 598456435 /nfs/dbraw/zinc/45/64/35/598456435.db2.gz XTYCEGDTNGPEPP-UHFFFAOYSA-N -1 3 357.389 3.033 20 0 FGADHM COc1ccc(COCCCNc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000737098690 598456437 /nfs/dbraw/zinc/45/64/37/598456437.db2.gz XTYCEGDTNGPEPP-UHFFFAOYSA-N -1 3 357.389 3.033 20 0 FGADHM Fc1ccc(OC[C@@H]2CCCO2)c(NCc2ccccc2-c2nnn[n-]2)c1 ZINC000737656039 598470784 /nfs/dbraw/zinc/47/07/84/598470784.db2.gz GSOWCCDUNYBEEV-HNNXBMFYSA-N -1 3 369.400 3.176 20 0 FGADHM Fc1ccc(OC[C@@H]2CCCO2)c(NCc2ccccc2-c2nn[n-]n2)c1 ZINC000737656039 598470786 /nfs/dbraw/zinc/47/07/86/598470786.db2.gz GSOWCCDUNYBEEV-HNNXBMFYSA-N -1 3 369.400 3.176 20 0 FGADHM COc1ccc(C)cc1CC(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000737077641 598486295 /nfs/dbraw/zinc/48/62/95/598486295.db2.gz RSPLJQSPPXLWPT-ZDUSSCGKSA-N -1 3 352.394 3.031 20 0 FGADHM COc1ccc(C)cc1CC(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000737077641 598486297 /nfs/dbraw/zinc/48/62/97/598486297.db2.gz RSPLJQSPPXLWPT-ZDUSSCGKSA-N -1 3 352.394 3.031 20 0 FGADHM Cc1cc(C)cc(OCC(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000737250207 598489391 /nfs/dbraw/zinc/48/93/91/598489391.db2.gz KGTAEFBSCMYHNF-CQSZACIVSA-N -1 3 352.394 3.167 20 0 FGADHM Cc1cc(C)cc(OCC(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737250207 598489395 /nfs/dbraw/zinc/48/93/95/598489395.db2.gz KGTAEFBSCMYHNF-CQSZACIVSA-N -1 3 352.394 3.167 20 0 FGADHM Cc1ccc(C)c(OCC(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000737325770 598489436 /nfs/dbraw/zinc/48/94/36/598489436.db2.gz HYBWUWBPQVYLOW-AWEZNQCLSA-N -1 3 352.394 3.167 20 0 FGADHM Cc1ccc(C)c(OCC(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737325770 598489438 /nfs/dbraw/zinc/48/94/38/598489438.db2.gz HYBWUWBPQVYLOW-AWEZNQCLSA-N -1 3 352.394 3.167 20 0 FGADHM CCCc1nc(C)c(C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)s1 ZINC000736495251 598491059 /nfs/dbraw/zinc/49/10/59/598491059.db2.gz KRANHCSAODZSEK-UHFFFAOYSA-N -1 3 373.486 3.393 20 0 FGADHM CCCc1nc(C)c(C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)s1 ZINC000736495251 598491060 /nfs/dbraw/zinc/49/10/60/598491060.db2.gz KRANHCSAODZSEK-UHFFFAOYSA-N -1 3 373.486 3.393 20 0 FGADHM Cc1ncccc1C(=O)N(Cc1ccccc1)c1ccccc1-c1nnn[n-]1 ZINC000737503306 598493748 /nfs/dbraw/zinc/49/37/48/598493748.db2.gz TVOSNJNRMUPHJW-UHFFFAOYSA-N -1 3 370.416 3.417 20 0 FGADHM Cc1ncccc1C(=O)N(Cc1ccccc1)c1ccccc1-c1nn[n-]n1 ZINC000737503306 598493749 /nfs/dbraw/zinc/49/37/49/598493749.db2.gz TVOSNJNRMUPHJW-UHFFFAOYSA-N -1 3 370.416 3.417 20 0 FGADHM Cn1c(C(=O)Nc2sccc2-c2nnn[n-]2)ccc1-c1ccc(F)cc1 ZINC000737592372 598495374 /nfs/dbraw/zinc/49/53/74/598495374.db2.gz MMYMGUGFXRDDEK-UHFFFAOYSA-N -1 3 368.397 3.325 20 0 FGADHM Cn1c(C(=O)Nc2sccc2-c2nn[n-]n2)ccc1-c1ccc(F)cc1 ZINC000737592372 598495376 /nfs/dbraw/zinc/49/53/76/598495376.db2.gz MMYMGUGFXRDDEK-UHFFFAOYSA-N -1 3 368.397 3.325 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N(CC1CC1)C1CCCCC1 ZINC000737801135 598500597 /nfs/dbraw/zinc/50/05/97/598500597.db2.gz RYSJVRZAXOFAGL-OUKQBFOZSA-N -1 3 351.454 3.451 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N(CC1CC1)C1CCCCC1 ZINC000737801135 598500599 /nfs/dbraw/zinc/50/05/99/598500599.db2.gz RYSJVRZAXOFAGL-OUKQBFOZSA-N -1 3 351.454 3.451 20 0 FGADHM CCc1c(C)sc(NC(=O)c2scnc2Cl)c1-c1nnn[n-]1 ZINC000736678684 598516388 /nfs/dbraw/zinc/51/63/88/598516388.db2.gz DVAXVAZQEZYAIP-UHFFFAOYSA-N -1 3 354.848 3.161 20 0 FGADHM CCc1c(C)sc(NC(=O)C=Cc2ccc(OC)cc2)c1-c1nnn[n-]1 ZINC000736669484 598518762 /nfs/dbraw/zinc/51/87/62/598518762.db2.gz IOLLAIBJZWUBHL-JXMROGBWSA-N -1 3 369.450 3.460 20 0 FGADHM CCc1c(C)sc(NC(=O)C=Cc2ccc(OC)cc2)c1-c1nn[n-]n1 ZINC000736669484 598518763 /nfs/dbraw/zinc/51/87/63/598518763.db2.gz IOLLAIBJZWUBHL-JXMROGBWSA-N -1 3 369.450 3.460 20 0 FGADHM CCC[C@H](C)N(C)C(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000736421699 598540620 /nfs/dbraw/zinc/54/06/20/598540620.db2.gz CADNQTJHQUFIPP-ZDUSSCGKSA-N -1 3 369.425 3.299 20 0 FGADHM Cc1cc(C)cc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)c1 ZINC000737252836 598546372 /nfs/dbraw/zinc/54/63/72/598546372.db2.gz LWUHKTRCSOZKMF-UHFFFAOYSA-N -1 3 359.336 3.337 20 0 FGADHM Cc1cc(C)cc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)c1 ZINC000737252836 598546374 /nfs/dbraw/zinc/54/63/74/598546374.db2.gz LWUHKTRCSOZKMF-UHFFFAOYSA-N -1 3 359.336 3.337 20 0 FGADHM Cc1cccc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)c1C ZINC000737384154 598547049 /nfs/dbraw/zinc/54/70/49/598547049.db2.gz HDJUKHOHFPDYQO-UHFFFAOYSA-N -1 3 359.336 3.337 20 0 FGADHM Cc1cccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)c1C ZINC000737384154 598547051 /nfs/dbraw/zinc/54/70/51/598547051.db2.gz HDJUKHOHFPDYQO-UHFFFAOYSA-N -1 3 359.336 3.337 20 0 FGADHM CC(C)(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1Cl ZINC000735670490 598548267 /nfs/dbraw/zinc/54/82/67/598548267.db2.gz QWFZJABAMHBIIQ-UHFFFAOYSA-N -1 3 355.829 3.228 20 0 FGADHM CC(C)(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1Cl ZINC000735670490 598548268 /nfs/dbraw/zinc/54/82/68/598548268.db2.gz QWFZJABAMHBIIQ-UHFFFAOYSA-N -1 3 355.829 3.228 20 0 FGADHM CCCOc1ccc(OCCOc2ccc(-c3nnn[n-]3)c(F)c2)cc1 ZINC000736491554 598548754 /nfs/dbraw/zinc/54/87/54/598548754.db2.gz DMFFPMKMTIAPPW-UHFFFAOYSA-N -1 3 358.373 3.252 20 0 FGADHM CCCOc1ccc(OCCOc2ccc(-c3nn[n-]n3)c(F)c2)cc1 ZINC000736491554 598548756 /nfs/dbraw/zinc/54/87/56/598548756.db2.gz DMFFPMKMTIAPPW-UHFFFAOYSA-N -1 3 358.373 3.252 20 0 FGADHM Cc1ccc2c(COc3ccc(-c4nnn[n-]4)c(F)c3)cc(=O)oc2c1C ZINC000737372319 598548926 /nfs/dbraw/zinc/54/89/26/598548926.db2.gz XCVAADKYMWCROQ-UHFFFAOYSA-N -1 3 366.352 3.308 20 0 FGADHM Cc1ccc2c(COc3ccc(-c4nn[n-]n4)c(F)c3)cc(=O)oc2c1C ZINC000737372319 598548927 /nfs/dbraw/zinc/54/89/27/598548927.db2.gz XCVAADKYMWCROQ-UHFFFAOYSA-N -1 3 366.352 3.308 20 0 FGADHM COc1ccc(-c2nc(COc3ccc(-c4nnn[n-]4)c(F)c3)co2)cc1 ZINC000737056092 598551926 /nfs/dbraw/zinc/55/19/26/598551926.db2.gz KAHOOODFPAJMAM-UHFFFAOYSA-N -1 3 367.340 3.248 20 0 FGADHM COc1ccc(-c2nc(COc3ccc(-c4nn[n-]n4)c(F)c3)co2)cc1 ZINC000737056092 598551928 /nfs/dbraw/zinc/55/19/28/598551928.db2.gz KAHOOODFPAJMAM-UHFFFAOYSA-N -1 3 367.340 3.248 20 0 FGADHM Cc1ocnc1C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737557274 598555160 /nfs/dbraw/zinc/55/51/60/598555160.db2.gz QQIAUMWYELGCKT-UHFFFAOYSA-N -1 3 362.349 3.208 20 0 FGADHM Cc1ocnc1C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737557274 598555162 /nfs/dbraw/zinc/55/51/62/598555162.db2.gz QQIAUMWYELGCKT-UHFFFAOYSA-N -1 3 362.349 3.208 20 0 FGADHM FC(F)(F)c1cc(NCc2ccc3c(c2)OCO3)ccc1-c1nnn[n-]1 ZINC000737631036 598570102 /nfs/dbraw/zinc/57/01/02/598570102.db2.gz BUEYQTZSVKTDRT-UHFFFAOYSA-N -1 3 363.299 3.226 20 0 FGADHM FC(F)(F)c1cc(NCc2ccc3c(c2)OCO3)ccc1-c1nn[n-]n1 ZINC000737631036 598570104 /nfs/dbraw/zinc/57/01/04/598570104.db2.gz BUEYQTZSVKTDRT-UHFFFAOYSA-N -1 3 363.299 3.226 20 0 FGADHM Cc1cc(Br)ccc1C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000737230014 598573072 /nfs/dbraw/zinc/57/30/72/598573072.db2.gz BTTQFHPEORMRJE-UHFFFAOYSA-N -1 3 358.199 3.190 20 0 FGADHM Cc1cc(Br)ccc1C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000737230014 598573074 /nfs/dbraw/zinc/57/30/74/598573074.db2.gz BTTQFHPEORMRJE-UHFFFAOYSA-N -1 3 358.199 3.190 20 0 FGADHM CCN1C(=O)c2cc(Cl)ccc2N[C@H]1c1cccc(-c2nnn[n-]2)c1 ZINC000736564491 598581315 /nfs/dbraw/zinc/58/13/15/598581315.db2.gz CANYSVBESSRDTF-MRXNPFEDSA-N -1 3 354.801 3.107 20 0 FGADHM CCN1C(=O)c2cc(Cl)ccc2N[C@H]1c1cccc(-c2nn[n-]n2)c1 ZINC000736564491 598581318 /nfs/dbraw/zinc/58/13/18/598581318.db2.gz CANYSVBESSRDTF-MRXNPFEDSA-N -1 3 354.801 3.107 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000738232438 598584537 /nfs/dbraw/zinc/58/45/37/598584537.db2.gz QPZIAPFQPKLLSU-TZMCWYRMSA-N -1 3 374.322 3.131 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000738232438 598584539 /nfs/dbraw/zinc/58/45/39/598584539.db2.gz QPZIAPFQPKLLSU-TZMCWYRMSA-N -1 3 374.322 3.131 20 0 FGADHM CCc1cc(Sc2ccc(-c3nnn[n-]3)cc2)nc(-c2ccccn2)n1 ZINC000736676768 598592173 /nfs/dbraw/zinc/59/21/73/598592173.db2.gz DIGXGROZUUHQHT-UHFFFAOYSA-N -1 3 361.434 3.432 20 0 FGADHM CCc1cc(Sc2ccc(-c3nn[n-]n3)cc2)nc(-c2ccccn2)n1 ZINC000736676768 598592175 /nfs/dbraw/zinc/59/21/75/598592175.db2.gz DIGXGROZUUHQHT-UHFFFAOYSA-N -1 3 361.434 3.432 20 0 FGADHM Cc1cc2[nH]c(C(=O)Nc3ccc(F)c(-c4nnn[n-]4)c3)cc2c(C)c1 ZINC000737248500 598597778 /nfs/dbraw/zinc/59/77/78/598597778.db2.gz HJFOCGOFDLNEJN-UHFFFAOYSA-N -1 3 350.357 3.356 20 0 FGADHM Cc1cc2[nH]c(C(=O)Nc3ccc(F)c(-c4nn[n-]n4)c3)cc2c(C)c1 ZINC000737248500 598597779 /nfs/dbraw/zinc/59/77/79/598597779.db2.gz HJFOCGOFDLNEJN-UHFFFAOYSA-N -1 3 350.357 3.356 20 0 FGADHM CC(C)(C)c1noc(-c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)n1 ZINC000735655643 598609448 /nfs/dbraw/zinc/60/94/48/598609448.db2.gz QPPZQPDOCVSOOO-UHFFFAOYSA-N -1 3 366.381 3.386 20 0 FGADHM O=C(N[C@@H]1CCCC[C@@H]1Cc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738027083 598609613 /nfs/dbraw/zinc/60/96/13/598609613.db2.gz XJGQUMNDQWAXDW-RTBURBONSA-N -1 3 361.449 3.398 20 0 FGADHM O=C(N[C@@H]1CCCC[C@@H]1Cc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738027083 598609616 /nfs/dbraw/zinc/60/96/16/598609616.db2.gz XJGQUMNDQWAXDW-RTBURBONSA-N -1 3 361.449 3.398 20 0 FGADHM COc1ccc(Cc2noc(C=Cc3ccccc3-c3nnn[n-]3)n2)cc1 ZINC000737097015 598611379 /nfs/dbraw/zinc/61/13/79/598611379.db2.gz HAEONUMQGQLPGW-DHZHZOJOSA-N -1 3 360.377 3.020 20 0 FGADHM COc1ccc(Cc2noc(C=Cc3ccccc3-c3nn[n-]n3)n2)cc1 ZINC000737097015 598611380 /nfs/dbraw/zinc/61/13/80/598611380.db2.gz HAEONUMQGQLPGW-DHZHZOJOSA-N -1 3 360.377 3.020 20 0 FGADHM C[C@@H](NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(F)c(F)c1 ZINC000736119495 598624197 /nfs/dbraw/zinc/62/41/97/598624197.db2.gz ZIECTIAPTPNVSA-MRVPVSSYSA-N -1 3 362.315 3.167 20 0 FGADHM C[C@@H](NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(F)c(F)c1 ZINC000736119495 598624198 /nfs/dbraw/zinc/62/41/98/598624198.db2.gz ZIECTIAPTPNVSA-MRVPVSSYSA-N -1 3 362.315 3.167 20 0 FGADHM CCc1ccc([C@H](C)NC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000736682975 598624287 /nfs/dbraw/zinc/62/42/87/598624287.db2.gz CXCGDGRVJRHZQT-NSHDSACASA-N -1 3 354.389 3.451 20 0 FGADHM CCc1ccc([C@H](C)NC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000736682975 598624289 /nfs/dbraw/zinc/62/42/89/598624289.db2.gz CXCGDGRVJRHZQT-NSHDSACASA-N -1 3 354.389 3.451 20 0 FGADHM C[C@@H](CCNC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000735985577 598625615 /nfs/dbraw/zinc/62/56/15/598625615.db2.gz HCJTXMNIKPAGMC-LBPRGKRZSA-N -1 3 354.389 3.321 20 0 FGADHM C[C@@H](CCNC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000735985577 598625617 /nfs/dbraw/zinc/62/56/17/598625617.db2.gz HCJTXMNIKPAGMC-LBPRGKRZSA-N -1 3 354.389 3.321 20 0 FGADHM CCCOc1ccc(CNC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000736491230 598629590 /nfs/dbraw/zinc/62/95/90/598629590.db2.gz VJKOXYRNYAILCC-UHFFFAOYSA-N -1 3 370.388 3.116 20 0 FGADHM CCCOc1ccc(CNC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000736491230 598629592 /nfs/dbraw/zinc/62/95/92/598629592.db2.gz VJKOXYRNYAILCC-UHFFFAOYSA-N -1 3 370.388 3.116 20 0 FGADHM O[C@H](CNc1cc(Cl)ccc1-c1nnn[n-]1)c1ccc(Cl)cc1 ZINC000738382586 598633993 /nfs/dbraw/zinc/63/39/93/598633993.db2.gz LTXNLRRSDDLYHW-CQSZACIVSA-N -1 3 350.209 3.319 20 0 FGADHM O[C@H](CNc1cc(Cl)ccc1-c1nn[n-]n1)c1ccc(Cl)cc1 ZINC000738382586 598633994 /nfs/dbraw/zinc/63/39/94/598633994.db2.gz LTXNLRRSDDLYHW-CQSZACIVSA-N -1 3 350.209 3.319 20 0 FGADHM Fc1ccc(C2(CNc3ccc(F)cc3-c3nnn[n-]3)CCOCC2)cc1 ZINC000737652476 598635414 /nfs/dbraw/zinc/63/54/14/598635414.db2.gz USQISSISIVERNX-UHFFFAOYSA-N -1 3 371.391 3.305 20 0 FGADHM Fc1ccc(C2(CNc3ccc(F)cc3-c3nn[n-]n3)CCOCC2)cc1 ZINC000737652476 598635416 /nfs/dbraw/zinc/63/54/16/598635416.db2.gz USQISSISIVERNX-UHFFFAOYSA-N -1 3 371.391 3.305 20 0 FGADHM CCCC[C@@H](Cc1ccccn1)OC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736439245 598637258 /nfs/dbraw/zinc/63/72/58/598637258.db2.gz TZDAZWVNHCONRM-KRWDZBQOSA-N -1 3 351.410 3.220 20 0 FGADHM CCCC[C@@H](Cc1ccccn1)OC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736439245 598637259 /nfs/dbraw/zinc/63/72/59/598637259.db2.gz TZDAZWVNHCONRM-KRWDZBQOSA-N -1 3 351.410 3.220 20 0 FGADHM CN(C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000736733838 598648201 /nfs/dbraw/zinc/64/82/01/598648201.db2.gz XOCPHLHUCYOFED-UHFFFAOYSA-N -1 3 351.410 3.079 20 0 FGADHM CN(C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000736733838 598648202 /nfs/dbraw/zinc/64/82/02/598648202.db2.gz XOCPHLHUCYOFED-UHFFFAOYSA-N -1 3 351.410 3.079 20 0 FGADHM C[C@@H](NC(=O)[C@H](C)CSc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736047541 598649850 /nfs/dbraw/zinc/64/98/50/598649850.db2.gz RGNHOIMDKQITKI-ZIAGYGMSSA-N -1 3 367.478 3.472 20 0 FGADHM C[C@@H](NC(=O)[C@H](C)CSc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736047541 598649852 /nfs/dbraw/zinc/64/98/52/598649852.db2.gz RGNHOIMDKQITKI-ZIAGYGMSSA-N -1 3 367.478 3.472 20 0 FGADHM CCN(C(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1ccc(OC)cc1 ZINC000736505371 598652304 /nfs/dbraw/zinc/65/23/04/598652304.db2.gz MMTXVNAQCMQUDZ-UHFFFAOYSA-N -1 3 369.450 3.021 20 0 FGADHM CCN(C(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1ccc(OC)cc1 ZINC000736505371 598652306 /nfs/dbraw/zinc/65/23/06/598652306.db2.gz MMTXVNAQCMQUDZ-UHFFFAOYSA-N -1 3 369.450 3.021 20 0 FGADHM CCC1CCC(CNC(=O)CSc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736395147 598654819 /nfs/dbraw/zinc/65/48/19/598654819.db2.gz HYWFQTFROAPYCZ-UHFFFAOYSA-N -1 3 359.499 3.291 20 0 FGADHM CCC1CCC(CNC(=O)CSc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736395147 598654821 /nfs/dbraw/zinc/65/48/21/598654821.db2.gz HYWFQTFROAPYCZ-UHFFFAOYSA-N -1 3 359.499 3.291 20 0 FGADHM Cc1ccc([C@@H](C)NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000737321263 598655392 /nfs/dbraw/zinc/65/53/92/598655392.db2.gz RYMAXTCSPPIFIJ-LLVKDONJSA-N -1 3 359.480 3.206 20 0 FGADHM Cc1ccc([C@@H](C)NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000737321263 598655393 /nfs/dbraw/zinc/65/53/93/598655393.db2.gz RYMAXTCSPPIFIJ-LLVKDONJSA-N -1 3 359.480 3.206 20 0 FGADHM CN(CC(C)(C)C)C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000736788468 598657916 /nfs/dbraw/zinc/65/79/16/598657916.db2.gz LCXJUCYLSADBTL-UHFFFAOYSA-N -1 3 366.425 3.172 20 0 FGADHM CN(CC(C)(C)C)C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000736788468 598657918 /nfs/dbraw/zinc/65/79/18/598657918.db2.gz LCXJUCYLSADBTL-UHFFFAOYSA-N -1 3 366.425 3.172 20 0 FGADHM Cc1nc2cc(NC(=O)CSc3ccc(-c4nnn[n-]4)cc3)ccc2o1 ZINC000737486516 598664759 /nfs/dbraw/zinc/66/47/59/598664759.db2.gz BZAUXYRYPHUKIC-UHFFFAOYSA-N -1 3 366.406 3.047 20 0 FGADHM Cc1nc2cc(NC(=O)CSc3ccc(-c4nn[n-]n4)cc3)ccc2o1 ZINC000737486516 598664761 /nfs/dbraw/zinc/66/47/61/598664761.db2.gz BZAUXYRYPHUKIC-UHFFFAOYSA-N -1 3 366.406 3.047 20 0 FGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N[C@H](c1ccccc1)c1cccnc1 ZINC000738179715 598699898 /nfs/dbraw/zinc/69/98/98/598699898.db2.gz ZYXOKLRYQVASHT-GOSISDBHSA-N -1 3 371.404 3.173 20 0 FGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N[C@H](c1ccccc1)c1cccnc1 ZINC000738179715 598699900 /nfs/dbraw/zinc/69/99/00/598699900.db2.gz ZYXOKLRYQVASHT-GOSISDBHSA-N -1 3 371.404 3.173 20 0 FGADHM O=C(Nc1ncccc1[O-])c1cccc(Oc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000738210249 598700194 /nfs/dbraw/zinc/70/01/94/598700194.db2.gz UVPAVTIMKZDUAW-UHFFFAOYSA-N -1 3 374.360 3.012 20 0 FGADHM Cc1ccc2cc(C(=O)OCc3ccc(F)cc3-c3nnn[n-]3)[nH]c2c1 ZINC000737375936 598702216 /nfs/dbraw/zinc/70/22/16/598702216.db2.gz GCLJFWBXGFIIBA-UHFFFAOYSA-N -1 3 351.341 3.153 20 0 FGADHM Cc1ccc2cc(C(=O)OCc3ccc(F)cc3-c3nn[n-]n3)[nH]c2c1 ZINC000737375936 598702217 /nfs/dbraw/zinc/70/22/17/598702217.db2.gz GCLJFWBXGFIIBA-UHFFFAOYSA-N -1 3 351.341 3.153 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)c1cc2c(s1)CCCC2 ZINC000738231200 598702449 /nfs/dbraw/zinc/70/24/49/598702449.db2.gz JSJNJPVJYGQCKI-UHFFFAOYSA-N -1 3 358.398 3.303 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)c1cc2c(s1)CCCC2 ZINC000738231200 598702451 /nfs/dbraw/zinc/70/24/51/598702451.db2.gz JSJNJPVJYGQCKI-UHFFFAOYSA-N -1 3 358.398 3.303 20 0 FGADHM Cc1[nH]c2ccccc2c1C(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737197692 598704917 /nfs/dbraw/zinc/70/49/17/598704917.db2.gz CFNDLEQZJGQMCB-UHFFFAOYSA-N -1 3 351.341 3.153 20 0 FGADHM Cc1[nH]c2ccccc2c1C(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737197692 598704918 /nfs/dbraw/zinc/70/49/18/598704918.db2.gz CFNDLEQZJGQMCB-UHFFFAOYSA-N -1 3 351.341 3.153 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)C1(c2ccccc2)CCC1 ZINC000738232923 598705311 /nfs/dbraw/zinc/70/53/11/598705311.db2.gz XMBFILIDUMYOLK-UHFFFAOYSA-N -1 3 352.369 3.171 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)C1(c2ccccc2)CCC1 ZINC000738232923 598705313 /nfs/dbraw/zinc/70/53/13/598705313.db2.gz XMBFILIDUMYOLK-UHFFFAOYSA-N -1 3 352.369 3.171 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)c1sccc1-n1cccc1 ZINC000738236026 598705462 /nfs/dbraw/zinc/70/54/62/598705462.db2.gz POPBKPSZDWBFGT-UHFFFAOYSA-N -1 3 369.381 3.215 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)c1sccc1-n1cccc1 ZINC000738236026 598705465 /nfs/dbraw/zinc/70/54/65/598705465.db2.gz POPBKPSZDWBFGT-UHFFFAOYSA-N -1 3 369.381 3.215 20 0 FGADHM CCc1ccc([C@@H](C)C(=O)OCc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000736686237 598710972 /nfs/dbraw/zinc/71/09/72/598710972.db2.gz KEPKJJZNEOUFMU-GFCCVEGCSA-N -1 3 354.385 3.415 20 0 FGADHM CCc1ccc([C@@H](C)C(=O)OCc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000736686237 598710973 /nfs/dbraw/zinc/71/09/73/598710973.db2.gz KEPKJJZNEOUFMU-GFCCVEGCSA-N -1 3 354.385 3.415 20 0 FGADHM COc1ccccc1C(C)=CC(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737140850 598711061 /nfs/dbraw/zinc/71/10/61/598711061.db2.gz GFWICOMYCXBAOC-FMIVXFBMSA-N -1 3 368.368 3.161 20 0 FGADHM COc1ccccc1C(C)=CC(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737140850 598711062 /nfs/dbraw/zinc/71/10/62/598711062.db2.gz GFWICOMYCXBAOC-FMIVXFBMSA-N -1 3 368.368 3.161 20 0 FGADHM O=C(Nc1ccc(Oc2cccc(-c3nn[nH]n3)c2)cc1)c1cncc([O-])c1 ZINC000738174395 598722565 /nfs/dbraw/zinc/72/25/65/598722565.db2.gz YVVGONDXJGIGFU-UHFFFAOYSA-N -1 3 374.360 3.012 20 0 FGADHM C[C@@H](CSc1ccccc1)C(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000736046999 598724767 /nfs/dbraw/zinc/72/47/67/598724767.db2.gz OFLILJQLJLLUJB-LBPRGKRZSA-N -1 3 372.425 3.477 20 0 FGADHM C[C@@H](CSc1ccccc1)C(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000736046999 598724768 /nfs/dbraw/zinc/72/47/68/598724768.db2.gz OFLILJQLJLLUJB-LBPRGKRZSA-N -1 3 372.425 3.477 20 0 FGADHM CC[C@H](Sc1ccccc1)C(=O)OCc1cccc(-c2nnn[n-]2)c1 ZINC000736390663 598740072 /nfs/dbraw/zinc/74/00/72/598740072.db2.gz JAMGWFQZFYMPJN-INIZCTEOSA-N -1 3 354.435 3.481 20 0 FGADHM CC[C@H](Sc1ccccc1)C(=O)OCc1cccc(-c2nn[n-]n2)c1 ZINC000736390663 598740073 /nfs/dbraw/zinc/74/00/73/598740073.db2.gz JAMGWFQZFYMPJN-INIZCTEOSA-N -1 3 354.435 3.481 20 0 FGADHM C[C@H](NC(=O)C[C@H]1CCc2ccccc2C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736102102 598741920 /nfs/dbraw/zinc/74/19/20/598741920.db2.gz QVWZECMEDWLTEH-GJZGRUSLSA-N -1 3 361.449 3.239 20 0 FGADHM C[C@H](NC(=O)C[C@H]1CCc2ccccc2C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736102102 598741922 /nfs/dbraw/zinc/74/19/22/598741922.db2.gz QVWZECMEDWLTEH-GJZGRUSLSA-N -1 3 361.449 3.239 20 0 FGADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)Nc1cccc(Oc2ccncc2)c1 ZINC000737955977 598754320 /nfs/dbraw/zinc/75/43/20/598754320.db2.gz QQGNNMVPECAPPY-UHFFFAOYSA-N -1 3 372.388 3.235 20 0 FGADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)Nc1cccc(Oc2ccncc2)c1 ZINC000737955977 598754321 /nfs/dbraw/zinc/75/43/21/598754321.db2.gz QQGNNMVPECAPPY-UHFFFAOYSA-N -1 3 372.388 3.235 20 0 FGADHM Cc1cc(C)c(-c2nnn[n-]2)c(N2CCO[C@H](c3ccccc3Cl)C2)n1 ZINC000737244543 598756118 /nfs/dbraw/zinc/75/61/18/598756118.db2.gz HJJMERPWQYFQNZ-HNNXBMFYSA-N -1 3 370.844 3.110 20 0 FGADHM Cc1cc(C)c(-c2nn[n-]n2)c(N2CCO[C@H](c3ccccc3Cl)C2)n1 ZINC000737244543 598756120 /nfs/dbraw/zinc/75/61/20/598756120.db2.gz HJJMERPWQYFQNZ-HNNXBMFYSA-N -1 3 370.844 3.110 20 0 FGADHM C[C@@H]1CN(c2c(-c3nnn[n-]3)cnc3c(F)ccc(Cl)c32)CCS1 ZINC000736286951 598756493 /nfs/dbraw/zinc/75/64/93/598756493.db2.gz CGLXSIOTMGWFKT-MRVPVSSYSA-N -1 3 364.837 3.149 20 0 FGADHM C[C@@H]1CN(c2c(-c3nn[n-]n3)cnc3c(F)ccc(Cl)c32)CCS1 ZINC000736286951 598756495 /nfs/dbraw/zinc/75/64/95/598756495.db2.gz CGLXSIOTMGWFKT-MRVPVSSYSA-N -1 3 364.837 3.149 20 0 FGADHM Clc1ccccc1[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000737585096 598765580 /nfs/dbraw/zinc/76/55/80/598765580.db2.gz YJUFMXRIURLHHE-KRWDZBQOSA-N -1 3 355.829 3.094 20 0 FGADHM Clc1ccccc1[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000737585096 598765582 /nfs/dbraw/zinc/76/55/82/598765582.db2.gz YJUFMXRIURLHHE-KRWDZBQOSA-N -1 3 355.829 3.094 20 0 FGADHM CC(C)[C@@H](c1ccccc1)N(C)C(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000735734616 598791017 /nfs/dbraw/zinc/79/10/17/598791017.db2.gz HYQQWHCVQBXXJU-IBGZPJMESA-N -1 3 365.437 3.101 20 0 FGADHM CC(C)[C@@H](c1ccccc1)N(C)C(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000735734616 598791018 /nfs/dbraw/zinc/79/10/18/598791018.db2.gz HYQQWHCVQBXXJU-IBGZPJMESA-N -1 3 365.437 3.101 20 0 FGADHM Clc1ccc(N2CCCN(c3ccccc3)CC2)c(-c2nnn[n-]2)c1 ZINC000737576346 598794720 /nfs/dbraw/zinc/79/47/20/598794720.db2.gz PXCOEXHQPQLRLH-UHFFFAOYSA-N -1 3 354.845 3.237 20 0 FGADHM Clc1ccc(N2CCCN(c3ccccc3)CC2)c(-c2nn[n-]n2)c1 ZINC000737576346 598794721 /nfs/dbraw/zinc/79/47/21/598794721.db2.gz PXCOEXHQPQLRLH-UHFFFAOYSA-N -1 3 354.845 3.237 20 0 FGADHM COc1ccccc1CC(C)(C)C(=O)OCc1ccccc1-c1nnn[n-]1 ZINC000737151885 598800793 /nfs/dbraw/zinc/80/07/93/598800793.db2.gz GUEPTQKQSGQBNA-UHFFFAOYSA-N -1 3 366.421 3.187 20 0 FGADHM COc1ccccc1CC(C)(C)C(=O)OCc1ccccc1-c1nn[n-]n1 ZINC000737151885 598800794 /nfs/dbraw/zinc/80/07/94/598800794.db2.gz GUEPTQKQSGQBNA-UHFFFAOYSA-N -1 3 366.421 3.187 20 0 FGADHM Cc1nc(CCC(=O)N(CC(C)C)c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000737471850 598804370 /nfs/dbraw/zinc/80/43/70/598804370.db2.gz OFBFWJBTBGVPNQ-UHFFFAOYSA-N -1 3 370.482 3.253 20 0 FGADHM Cc1nc(CCC(=O)N(CC(C)C)c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000737471850 598804371 /nfs/dbraw/zinc/80/43/71/598804371.db2.gz OFBFWJBTBGVPNQ-UHFFFAOYSA-N -1 3 370.482 3.253 20 0 FGADHM CC[C@H](OC1CCCC1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC000736380142 598804409 /nfs/dbraw/zinc/80/44/09/598804409.db2.gz WODJDFNRXCOGAX-INIZCTEOSA-N -1 3 373.457 3.330 20 0 FGADHM CC[C@H](OC1CCCC1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC000736380142 598804411 /nfs/dbraw/zinc/80/44/11/598804411.db2.gz WODJDFNRXCOGAX-INIZCTEOSA-N -1 3 373.457 3.330 20 0 FGADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(NCCOC2CCCCCC2)n1 ZINC000737635654 599305409 /nfs/dbraw/zinc/30/54/09/599305409.db2.gz LHIUFFZEMDPFHS-UHFFFAOYSA-N -1 3 370.379 3.432 20 0 FGADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(NCCOC2CCCCCC2)n1 ZINC000737635654 599305411 /nfs/dbraw/zinc/30/54/11/599305411.db2.gz LHIUFFZEMDPFHS-UHFFFAOYSA-N -1 3 370.379 3.432 20 0 FGADHM CC(C)COc1cccc(NCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000735844057 599327693 /nfs/dbraw/zinc/32/76/93/599327693.db2.gz GJAKUUMZLKUOAG-UHFFFAOYSA-N -1 3 353.426 3.392 20 0 FGADHM CC(C)COc1cccc(NCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC000735844057 599327695 /nfs/dbraw/zinc/32/76/95/599327695.db2.gz GJAKUUMZLKUOAG-UHFFFAOYSA-N -1 3 353.426 3.392 20 0 FGADHM C[C@H](SCC(=O)N[C@H]1CCCC[C@H]1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736189149 599327682 /nfs/dbraw/zinc/32/76/82/599327682.db2.gz OAWABDHNBRRXCT-WWGRRREGSA-N -1 3 359.499 3.356 20 0 FGADHM C[C@H](SCC(=O)N[C@H]1CCCC[C@H]1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736189149 599327684 /nfs/dbraw/zinc/32/76/84/599327684.db2.gz OAWABDHNBRRXCT-WWGRRREGSA-N -1 3 359.499 3.356 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NCc1csc(Br)c1 ZINC000737062819 599328409 /nfs/dbraw/zinc/32/84/09/599328409.db2.gz PSCJMXOPMBNKBZ-UHFFFAOYSA-N -1 3 366.244 3.311 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NCc1csc(Br)c1 ZINC000737062819 599328411 /nfs/dbraw/zinc/32/84/11/599328411.db2.gz PSCJMXOPMBNKBZ-UHFFFAOYSA-N -1 3 366.244 3.311 20 0 FGADHM C[C@H](SCC(=O)Nc1ccc(F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736190532 599330556 /nfs/dbraw/zinc/33/05/56/599330556.db2.gz TWNKTSAATDMYFZ-NSHDSACASA-N -1 3 357.414 3.439 20 0 FGADHM C[C@H](SCC(=O)Nc1ccc(F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736190532 599330559 /nfs/dbraw/zinc/33/05/59/599330559.db2.gz TWNKTSAATDMYFZ-NSHDSACASA-N -1 3 357.414 3.439 20 0 FGADHM Fc1ccc(NCCOc2ccc(-c3nn[n-]n3)cc2)c(OC(F)F)c1 ZINC000737655636 599331334 /nfs/dbraw/zinc/33/13/34/599331334.db2.gz AXHYROYPSNLARL-UHFFFAOYSA-N -1 3 365.315 3.098 20 0 FGADHM O=C(CSc1ccccc1-c1nnn[n-]1)N[C@@H](c1ccccc1)C1CC1 ZINC000823070974 599343831 /nfs/dbraw/zinc/34/38/31/599343831.db2.gz VPXFXHPVKSPMJQ-SFHVURJKSA-N -1 3 365.462 3.226 20 0 FGADHM O=C(CSc1ccccc1-c1nn[n-]n1)N[C@@H](c1ccccc1)C1CC1 ZINC000823070974 599343834 /nfs/dbraw/zinc/34/38/34/599343834.db2.gz VPXFXHPVKSPMJQ-SFHVURJKSA-N -1 3 365.462 3.226 20 0 FGADHM C[C@H](Nc1ccc(CN2CCCC2=O)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820456017 599368883 /nfs/dbraw/zinc/36/88/83/599368883.db2.gz PCEFAKDTFHJYKO-AWEZNQCLSA-N -1 3 362.437 3.162 20 0 FGADHM C[C@H](Nc1ccc(CN2CCCC2=O)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820456017 599368885 /nfs/dbraw/zinc/36/88/85/599368885.db2.gz PCEFAKDTFHJYKO-AWEZNQCLSA-N -1 3 362.437 3.162 20 0 FGADHM CC[C@@H](CC(=O)OCC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000825080857 607371636 /nfs/dbraw/zinc/37/16/36/607371636.db2.gz CBVUFPAOKLKKIE-AWEZNQCLSA-N -1 3 364.405 3.177 20 0 FGADHM CC[C@@H](CC(=O)OCC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000825080857 607371638 /nfs/dbraw/zinc/37/16/38/607371638.db2.gz CBVUFPAOKLKKIE-AWEZNQCLSA-N -1 3 364.405 3.177 20 0 FGADHM COC(=O)N(C)Cc1ccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821663516 599378862 /nfs/dbraw/zinc/37/88/62/599378862.db2.gz AZWHQYLXVANTFS-ZDUSSCGKSA-N -1 3 366.425 3.238 20 0 FGADHM COC(=O)N(C)Cc1ccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821663516 599378865 /nfs/dbraw/zinc/37/88/65/599378865.db2.gz AZWHQYLXVANTFS-ZDUSSCGKSA-N -1 3 366.425 3.238 20 0 FGADHM Cc1cccc(NC(=O)COc2c(C)cc(-c3nn[n-]n3)cc2C)c1C ZINC000822323264 599387040 /nfs/dbraw/zinc/38/70/40/599387040.db2.gz BRZAQQWLGBSKNM-UHFFFAOYSA-N -1 3 351.410 3.118 20 0 FGADHM C[C@@H](COC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)C(F)(F)F ZINC000824440619 607373098 /nfs/dbraw/zinc/37/30/98/607373098.db2.gz HDDBIOXTZNVZPD-NSHDSACASA-N -1 3 372.347 3.157 20 0 FGADHM C[C@@H](COC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)C(F)(F)F ZINC000824440619 607373100 /nfs/dbraw/zinc/37/31/00/607373100.db2.gz HDDBIOXTZNVZPD-NSHDSACASA-N -1 3 372.347 3.157 20 0 FGADHM C[C@H](Nc1cnc2cc(F)c(F)cc2n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736139315 599405787 /nfs/dbraw/zinc/40/57/87/599405787.db2.gz VHVAMRMYDZMGAN-VIFPVBQESA-N -1 3 353.336 3.261 20 0 FGADHM C[C@H](Nc1cnc2cc(F)c(F)cc2n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736139315 599405790 /nfs/dbraw/zinc/40/57/90/599405790.db2.gz VHVAMRMYDZMGAN-VIFPVBQESA-N -1 3 353.336 3.261 20 0 FGADHM C[C@H](NC(=O)NCc1ccc([C@@H]2C[C@@H]2C)o1)c1cccc(-c2nnn[n-]2)c1 ZINC000820374472 599411385 /nfs/dbraw/zinc/41/13/85/599411385.db2.gz NYYJONJLYSPEEN-MQIPJXDCSA-N -1 3 366.425 3.144 20 0 FGADHM C[C@H](NC(=O)NCc1ccc([C@@H]2C[C@@H]2C)o1)c1cccc(-c2nn[n-]n2)c1 ZINC000820374472 599411387 /nfs/dbraw/zinc/41/13/87/599411387.db2.gz NYYJONJLYSPEEN-MQIPJXDCSA-N -1 3 366.425 3.144 20 0 FGADHM Cc1nccn1-c1ccc(CNc2cc(Cl)ccc2-c2nn[n-]n2)cn1 ZINC000737503273 599414955 /nfs/dbraw/zinc/41/49/55/599414955.db2.gz SNNOGIAUPHHGTN-UHFFFAOYSA-N -1 3 366.816 3.021 20 0 FGADHM CC(C)[C@H](C(=O)OCC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000824185065 607375865 /nfs/dbraw/zinc/37/58/65/607375865.db2.gz QGNLCOHRJNLPNN-SFHVURJKSA-N -1 3 364.405 3.032 20 0 FGADHM CC(C)[C@H](C(=O)OCC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000824185065 607375867 /nfs/dbraw/zinc/37/58/67/607375867.db2.gz QGNLCOHRJNLPNN-SFHVURJKSA-N -1 3 364.405 3.032 20 0 FGADHM Cc1ccc2c(c1)CC[C@@H]2NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822275169 599423620 /nfs/dbraw/zinc/42/36/20/599423620.db2.gz OUDIMFTYNFJWJH-UGSOOPFHSA-N -1 3 362.437 3.223 20 0 FGADHM Cc1ccc2c(c1)CC[C@@H]2NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822275169 599423622 /nfs/dbraw/zinc/42/36/22/599423622.db2.gz OUDIMFTYNFJWJH-UGSOOPFHSA-N -1 3 362.437 3.223 20 0 FGADHM Cc1ccc(/C=C\CC(=O)OCC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826285548 607378126 /nfs/dbraw/zinc/37/81/26/607378126.db2.gz CGJWTNNMFZFQSL-RQOWECAXSA-N -1 3 362.389 3.005 20 0 FGADHM Cc1ccc(/C=C\CC(=O)OCC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826285548 607378127 /nfs/dbraw/zinc/37/81/27/607378127.db2.gz CGJWTNNMFZFQSL-RQOWECAXSA-N -1 3 362.389 3.005 20 0 FGADHM c1ccc(N2CCC[C@@H](Nc3cc(-c4nnn[n-]4)c4ccccc4n3)C2)cc1 ZINC000738434645 599440067 /nfs/dbraw/zinc/44/00/67/599440067.db2.gz HEFVIEPPJNCHJP-OAHLLOKOSA-N -1 3 371.448 3.496 20 0 FGADHM c1ccc(N2CCC[C@@H](Nc3cc(-c4nn[n-]n4)c4ccccc4n3)C2)cc1 ZINC000738434645 599440069 /nfs/dbraw/zinc/44/00/69/599440069.db2.gz HEFVIEPPJNCHJP-OAHLLOKOSA-N -1 3 371.448 3.496 20 0 FGADHM C[C@@H](CNC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)Cc1cccs1 ZINC000820261757 599447219 /nfs/dbraw/zinc/44/72/19/599447219.db2.gz PRBYWDBUUWYONT-OLZOCXBDSA-N -1 3 370.482 3.167 20 0 FGADHM C[C@@H](CNC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)Cc1cccs1 ZINC000820261757 599447220 /nfs/dbraw/zinc/44/72/20/599447220.db2.gz PRBYWDBUUWYONT-OLZOCXBDSA-N -1 3 370.482 3.167 20 0 FGADHM C[C@@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1Cl ZINC000736119780 599452999 /nfs/dbraw/zinc/45/29/99/599452999.db2.gz UQXWFQVIXSXFOJ-SNVBAGLBSA-N -1 3 374.807 3.220 20 0 FGADHM C[C@@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1Cl ZINC000736119780 599453003 /nfs/dbraw/zinc/45/30/03/599453003.db2.gz UQXWFQVIXSXFOJ-SNVBAGLBSA-N -1 3 374.807 3.220 20 0 FGADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)CCc1cc(Cl)cs1 ZINC000736815403 599465865 /nfs/dbraw/zinc/46/58/65/599465865.db2.gz YXTPCKGUHVXINP-UHFFFAOYSA-N -1 3 361.858 3.173 20 0 FGADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)CCc1cc(Cl)cs1 ZINC000736815403 599465867 /nfs/dbraw/zinc/46/58/67/599465867.db2.gz YXTPCKGUHVXINP-UHFFFAOYSA-N -1 3 361.858 3.173 20 0 FGADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)N1CCC[C@@H]1C1CCCCC1 ZINC000823235181 599467991 /nfs/dbraw/zinc/46/79/91/599467991.db2.gz SJZMPGVXMBUODR-QGZVFWFLSA-N -1 3 372.448 3.260 20 0 FGADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)N1CCC[C@@H]1C1CCCCC1 ZINC000823235181 599467994 /nfs/dbraw/zinc/46/79/94/599467994.db2.gz SJZMPGVXMBUODR-QGZVFWFLSA-N -1 3 372.448 3.260 20 0 FGADHM C[C@H](NC(=O)N1CC2C[C@@H]3CC1C[C@H](C2)C3)c1cccc(-c2nnn[n-]2)c1 ZINC000820339599 599470171 /nfs/dbraw/zinc/47/01/71/599470171.db2.gz DOSGUUJGNKWKJY-RDUPMXASSA-N -1 3 366.469 3.148 20 0 FGADHM C[C@H](NC(=O)N1CC2C[C@@H]3CC1C[C@H](C2)C3)c1cccc(-c2nn[n-]n2)c1 ZINC000820339599 599470173 /nfs/dbraw/zinc/47/01/73/599470173.db2.gz DOSGUUJGNKWKJY-RDUPMXASSA-N -1 3 366.469 3.148 20 0 FGADHM C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736234169 599470323 /nfs/dbraw/zinc/47/03/23/599470323.db2.gz IJFMLMRPFCNONN-MLGOLLRUSA-N -1 3 351.385 3.024 20 0 FGADHM C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736234169 599470325 /nfs/dbraw/zinc/47/03/25/599470325.db2.gz IJFMLMRPFCNONN-MLGOLLRUSA-N -1 3 351.385 3.024 20 0 FGADHM Cc1ccc(CNc2c(-c3nnn[n-]3)cnc3c(C)cc(F)cc32)s1 ZINC000822238424 599480528 /nfs/dbraw/zinc/48/05/28/599480528.db2.gz HBTWUQWSNDVRIW-UHFFFAOYSA-N -1 3 354.414 3.266 20 0 FGADHM Cc1ccc(CNc2c(-c3nn[n-]n3)cnc3c(C)cc(F)cc32)s1 ZINC000822238424 599480531 /nfs/dbraw/zinc/48/05/31/599480531.db2.gz HBTWUQWSNDVRIW-UHFFFAOYSA-N -1 3 354.414 3.266 20 0 FGADHM CCN(C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)[C@H](C)c1cccnc1 ZINC000821154047 599481414 /nfs/dbraw/zinc/48/14/14/599481414.db2.gz HXXKZWQUAVESAH-UONOGXRCSA-N -1 3 365.441 3.115 20 0 FGADHM CCN(C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)[C@H](C)c1cccnc1 ZINC000821154047 599481416 /nfs/dbraw/zinc/48/14/16/599481416.db2.gz HXXKZWQUAVESAH-UONOGXRCSA-N -1 3 365.441 3.115 20 0 FGADHM CC(C)Oc1cccc(CNc2c(-c3nnn[n-]3)cnc3ccccc32)c1 ZINC000820178357 599481962 /nfs/dbraw/zinc/48/19/62/599481962.db2.gz NPHWNCGBODAQQB-UHFFFAOYSA-N -1 3 360.421 3.236 20 0 FGADHM CC(C)Oc1cccc(CNc2c(-c3nn[n-]n3)cnc3ccccc32)c1 ZINC000820178357 599481963 /nfs/dbraw/zinc/48/19/63/599481963.db2.gz NPHWNCGBODAQQB-UHFFFAOYSA-N -1 3 360.421 3.236 20 0 FGADHM C[C@@H](NC(=O)N(C)[C@H](C)c1cccs1)c1cccc(-c2nnn[n-]2)c1 ZINC000820339457 599482520 /nfs/dbraw/zinc/48/25/20/599482520.db2.gz CJMYLVCANFSHNQ-VXGBXAGGSA-N -1 3 356.455 3.392 20 0 FGADHM C[C@@H](NC(=O)N(C)[C@H](C)c1cccs1)c1cccc(-c2nn[n-]n2)c1 ZINC000820339457 599482521 /nfs/dbraw/zinc/48/25/21/599482521.db2.gz CJMYLVCANFSHNQ-VXGBXAGGSA-N -1 3 356.455 3.392 20 0 FGADHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(NCc3ccc(Cl)nc3)c2c1 ZINC000822196271 599485464 /nfs/dbraw/zinc/48/54/64/599485464.db2.gz BWCBSNAYDQXGSN-UHFFFAOYSA-N -1 3 365.828 3.114 20 0 FGADHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(NCc3ccc(Cl)nc3)c2c1 ZINC000822196271 599485466 /nfs/dbraw/zinc/48/54/66/599485466.db2.gz BWCBSNAYDQXGSN-UHFFFAOYSA-N -1 3 365.828 3.114 20 0 FGADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N[C@@H](C)Cc1ccsc1 ZINC000822335367 599491191 /nfs/dbraw/zinc/49/11/91/599491191.db2.gz KHZFNFGTBBXCMP-LBPRGKRZSA-N -1 3 350.451 3.250 20 0 FGADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N[C@@H](C)Cc1ccsc1 ZINC000822335367 599491194 /nfs/dbraw/zinc/49/11/94/599491194.db2.gz KHZFNFGTBBXCMP-LBPRGKRZSA-N -1 3 350.451 3.250 20 0 FGADHM CCn1c(CCNc2ccc(F)cc2-c2nnn[n-]2)nc2ccccc21 ZINC000821564081 599500342 /nfs/dbraw/zinc/50/03/42/599500342.db2.gz SUDWKZIKBQSAPJ-UHFFFAOYSA-N -1 3 351.389 3.030 20 0 FGADHM CCn1c(CCNc2ccc(F)cc2-c2nn[n-]n2)nc2ccccc21 ZINC000821564081 599500343 /nfs/dbraw/zinc/50/03/43/599500343.db2.gz SUDWKZIKBQSAPJ-UHFFFAOYSA-N -1 3 351.389 3.030 20 0 FGADHM COc1ccccc1C(C)(C)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821883007 599501042 /nfs/dbraw/zinc/50/10/42/599501042.db2.gz PVSRLEYVQYZKME-ZDUSSCGKSA-N -1 3 365.437 3.030 20 0 FGADHM COc1ccccc1C(C)(C)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821883007 599501046 /nfs/dbraw/zinc/50/10/46/599501046.db2.gz PVSRLEYVQYZKME-ZDUSSCGKSA-N -1 3 365.437 3.030 20 0 FGADHM C[C@H](NC(=O)[C@@H]1SCCc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820321002 599503635 /nfs/dbraw/zinc/50/36/35/599503635.db2.gz AQLRJSRDIGYUMO-YVEFUNNKSA-N -1 3 365.462 3.075 20 0 FGADHM C[C@H](NC(=O)[C@@H]1SCCc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820321002 599503638 /nfs/dbraw/zinc/50/36/38/599503638.db2.gz AQLRJSRDIGYUMO-YVEFUNNKSA-N -1 3 365.462 3.075 20 0 FGADHM Cc1nc([C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3F)C2)sc1C ZINC000822435770 599512282 /nfs/dbraw/zinc/51/22/82/599512282.db2.gz AWOLYYFOKBNUGW-ZDUSSCGKSA-N -1 3 358.446 3.463 20 0 FGADHM C[C@@H](NC(=O)C1(c2ccc(F)cc2)CCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820321175 599513594 /nfs/dbraw/zinc/51/35/94/599513594.db2.gz BYYSOFKUDMFAOH-CYBMUJFWSA-N -1 3 365.412 3.305 20 0 FGADHM C[C@@H](NC(=O)C1(c2ccc(F)cc2)CCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820321175 599513595 /nfs/dbraw/zinc/51/35/95/599513595.db2.gz BYYSOFKUDMFAOH-CYBMUJFWSA-N -1 3 365.412 3.305 20 0 FGADHM C[C@H](NC(=O)c1sccc1-n1cccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820403714 599519316 /nfs/dbraw/zinc/51/93/16/599519316.db2.gz LQNXLBDNICNDEE-LBPRGKRZSA-N -1 3 364.434 3.210 20 0 FGADHM C[C@H](NC(=O)c1sccc1-n1cccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820403714 599519318 /nfs/dbraw/zinc/51/93/18/599519318.db2.gz LQNXLBDNICNDEE-LBPRGKRZSA-N -1 3 364.434 3.210 20 0 FGADHM COc1ccc(COCCCNc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000821824147 599521511 /nfs/dbraw/zinc/52/15/11/599521511.db2.gz ICFVQZDKNAHWBF-UHFFFAOYSA-N -1 3 357.389 3.033 20 0 FGADHM COc1ccc(COCCCNc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000821824147 599521513 /nfs/dbraw/zinc/52/15/13/599521513.db2.gz ICFVQZDKNAHWBF-UHFFFAOYSA-N -1 3 357.389 3.033 20 0 FGADHM C[C@@H](SC[C@H](O)COc1ccc(-c2nn[n-]n2)cc1)c1cccs1 ZINC000736188533 599521537 /nfs/dbraw/zinc/52/15/37/599521537.db2.gz KVKLOJSGCWNKMX-DGCLKSJQSA-N -1 3 362.480 3.162 20 0 FGADHM CCOC[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2C(F)(F)F)C1 ZINC000736611867 599525848 /nfs/dbraw/zinc/52/58/48/599525848.db2.gz XNUWJHDOACHANH-LLVKDONJSA-N -1 3 355.364 3.138 20 0 FGADHM Cc1ccccc1[C@@H](O)CNc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000737423350 599526899 /nfs/dbraw/zinc/52/68/99/599526899.db2.gz ULAPCEJCSBNVKC-HNNXBMFYSA-N -1 3 363.343 3.339 20 0 FGADHM CC(C)COc1ccccc1C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820103045 599528048 /nfs/dbraw/zinc/52/80/48/599528048.db2.gz OEVVKBKTXCAWQS-CQSZACIVSA-N -1 3 365.437 3.393 20 0 FGADHM CC(C)COc1ccccc1C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820103045 599528051 /nfs/dbraw/zinc/52/80/51/599528051.db2.gz OEVVKBKTXCAWQS-CQSZACIVSA-N -1 3 365.437 3.393 20 0 FGADHM Cc1cccc(C)c1OCCC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822299227 599535482 /nfs/dbraw/zinc/53/54/82/599535482.db2.gz BXDUBGUQLWYITE-OAHLLOKOSA-N -1 3 365.437 3.130 20 0 FGADHM Cc1cccc(C)c1OCCC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822299227 599535485 /nfs/dbraw/zinc/53/54/85/599535485.db2.gz BXDUBGUQLWYITE-OAHLLOKOSA-N -1 3 365.437 3.130 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)CC/C=C\c1ccccc1 ZINC000737025481 599540129 /nfs/dbraw/zinc/54/01/29/599540129.db2.gz QZRNJXIOPAOKAA-UITAMQMPSA-N -1 3 350.378 3.274 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)CC/C=C\c1ccccc1 ZINC000737025481 599540133 /nfs/dbraw/zinc/54/01/33/599540133.db2.gz QZRNJXIOPAOKAA-UITAMQMPSA-N -1 3 350.378 3.274 20 0 FGADHM C[C@@H](SCc1ccccc1)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820549122 599542839 /nfs/dbraw/zinc/54/28/39/599542839.db2.gz KMUYFYBRBAVVFL-ZIAGYGMSSA-N -1 3 367.478 3.366 20 0 FGADHM C[C@@H](SCc1ccccc1)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820549122 599542841 /nfs/dbraw/zinc/54/28/41/599542841.db2.gz KMUYFYBRBAVVFL-ZIAGYGMSSA-N -1 3 367.478 3.366 20 0 FGADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N[C@H]1CCc2ccc(F)cc21 ZINC000822335324 599543072 /nfs/dbraw/zinc/54/30/72/599543072.db2.gz JUYBRODMNZUFDR-KRWDZBQOSA-N -1 3 360.396 3.384 20 0 FGADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N[C@H]1CCc2ccc(F)cc21 ZINC000822335324 599543074 /nfs/dbraw/zinc/54/30/74/599543074.db2.gz JUYBRODMNZUFDR-KRWDZBQOSA-N -1 3 360.396 3.384 20 0 FGADHM Cc1cccc(CSCC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000822304388 599543775 /nfs/dbraw/zinc/54/37/75/599543775.db2.gz WNYUAJGGOKYOEM-CQSZACIVSA-N -1 3 367.478 3.286 20 0 FGADHM Cc1cccc(CSCC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000822304388 599543777 /nfs/dbraw/zinc/54/37/77/599543777.db2.gz WNYUAJGGOKYOEM-CQSZACIVSA-N -1 3 367.478 3.286 20 0 FGADHM CC(C)OC1CCN(c2c(-c3nnn[n-]3)cnc3c(F)ccc(F)c32)CC1 ZINC000820142868 599543787 /nfs/dbraw/zinc/54/37/87/599543787.db2.gz ZCOIIMHWRSCAFN-UHFFFAOYSA-N -1 3 374.395 3.087 20 0 FGADHM CC(C)OC1CCN(c2c(-c3nn[n-]n3)cnc3c(F)ccc(F)c32)CC1 ZINC000820142868 599543788 /nfs/dbraw/zinc/54/37/88/599543788.db2.gz ZCOIIMHWRSCAFN-UHFFFAOYSA-N -1 3 374.395 3.087 20 0 FGADHM C[C@@H]1CC[C@H](C)CN1C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000820683815 599547256 /nfs/dbraw/zinc/54/72/56/599547256.db2.gz HNCSURKLBIRQEM-LSDHHAIUSA-N -1 3 357.458 3.063 20 0 FGADHM C[C@@H]1CC[C@H](C)CN1C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000820683815 599547257 /nfs/dbraw/zinc/54/72/57/599547257.db2.gz HNCSURKLBIRQEM-LSDHHAIUSA-N -1 3 357.458 3.063 20 0 FGADHM CC[C@H]1CN(c2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)C[C@@H](C)O1 ZINC000820994341 599549166 /nfs/dbraw/zinc/54/91/66/599549166.db2.gz GWASFEZHMHJBCV-PWSUYJOCSA-N -1 3 358.833 3.072 20 0 FGADHM CC[C@H]1CN(c2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)C[C@@H](C)O1 ZINC000820994341 599549168 /nfs/dbraw/zinc/54/91/68/599549168.db2.gz GWASFEZHMHJBCV-PWSUYJOCSA-N -1 3 358.833 3.072 20 0 FGADHM C[C@H]1CCN(C(=O)Cc2ccc(-c3nnn[n-]3)cc2)[C@H](c2ccco2)C1 ZINC000820715945 599549562 /nfs/dbraw/zinc/54/95/62/599549562.db2.gz FXUODKAHUQOZIA-BBRMVZONSA-N -1 3 351.410 3.002 20 0 FGADHM C[C@H]1CCN(C(=O)Cc2ccc(-c3nn[n-]n3)cc2)[C@H](c2ccco2)C1 ZINC000820715945 599549564 /nfs/dbraw/zinc/54/95/64/599549564.db2.gz FXUODKAHUQOZIA-BBRMVZONSA-N -1 3 351.410 3.002 20 0 FGADHM Cc1ccc(C[C@@H](C)N(C)C(=O)CCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737335479 599553594 /nfs/dbraw/zinc/55/35/94/599553594.db2.gz UVMXDHNEAIKIOX-MRXNPFEDSA-N -1 3 363.465 3.197 20 0 FGADHM Cc1ccc(C[C@@H](C)N(C)C(=O)CCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737335479 599553596 /nfs/dbraw/zinc/55/35/96/599553596.db2.gz UVMXDHNEAIKIOX-MRXNPFEDSA-N -1 3 363.465 3.197 20 0 FGADHM C[C@@H](c1cccs1)N(C)Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000820571258 599564080 /nfs/dbraw/zinc/56/40/80/599564080.db2.gz WUSDCNVPNSOMBA-NSHDSACASA-N -1 3 367.438 3.171 20 0 FGADHM C[C@@H](c1cccs1)N(C)Cc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000820571258 599564083 /nfs/dbraw/zinc/56/40/83/599564083.db2.gz WUSDCNVPNSOMBA-NSHDSACASA-N -1 3 367.438 3.171 20 0 FGADHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(N(C)CCCOC(C)C)c2c1 ZINC000822194966 599569750 /nfs/dbraw/zinc/56/97/50/599569750.db2.gz BPRZQLMBRWOOOF-UHFFFAOYSA-N -1 3 354.458 3.283 20 0 FGADHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(N(C)CCCOC(C)C)c2c1 ZINC000822194966 599569752 /nfs/dbraw/zinc/56/97/52/599569752.db2.gz BPRZQLMBRWOOOF-UHFFFAOYSA-N -1 3 354.458 3.283 20 0 FGADHM O=C1[C@@H](Nc2ccc(-c3nn[n-]n3)cc2)CCCN1c1ccccc1Cl ZINC000823511920 599586162 /nfs/dbraw/zinc/58/61/62/599586162.db2.gz IZPJSXVEBSAPMA-HNNXBMFYSA-N -1 3 368.828 3.128 20 0 FGADHM CS[C@H]1CCCCN(c2c(-c3nnn[n-]3)cnc3c(C)cccc32)C1 ZINC000821956336 607385730 /nfs/dbraw/zinc/38/57/30/607385730.db2.gz MKZFZMFXAYUUCK-ZDUSSCGKSA-N -1 3 354.483 3.445 20 0 FGADHM CS[C@H]1CCCCN(c2c(-c3nn[n-]n3)cnc3c(C)cccc32)C1 ZINC000821956336 607385732 /nfs/dbraw/zinc/38/57/32/607385732.db2.gz MKZFZMFXAYUUCK-ZDUSSCGKSA-N -1 3 354.483 3.445 20 0 FGADHM C[C@H]1c2ccc(F)cc2CCN1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736301074 599599411 /nfs/dbraw/zinc/59/94/11/599599411.db2.gz KLTKXAYPCAWGIU-NSHDSACASA-N -1 3 352.373 3.157 20 0 FGADHM C[C@H]1c2ccc(F)cc2CCN1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736301074 599599413 /nfs/dbraw/zinc/59/94/13/599599413.db2.gz KLTKXAYPCAWGIU-NSHDSACASA-N -1 3 352.373 3.157 20 0 FGADHM Cc1ccc(C[C@H](C)NC(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000737334371 599601848 /nfs/dbraw/zinc/60/18/48/599601848.db2.gz GQYYWNFOXIRAAM-AAEUAGOBSA-N -1 3 370.482 3.228 20 0 FGADHM Cc1ccc(C[C@H](C)NC(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000737334371 599601850 /nfs/dbraw/zinc/60/18/50/599601850.db2.gz GQYYWNFOXIRAAM-AAEUAGOBSA-N -1 3 370.482 3.228 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)NC[C@H](C)c1ccc(C)cc1 ZINC000737063199 599611126 /nfs/dbraw/zinc/61/11/26/599611126.db2.gz OKZNYCKRWKOJQQ-ZDUSSCGKSA-N -1 3 366.425 3.109 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)NC[C@H](C)c1ccc(C)cc1 ZINC000737063199 599611128 /nfs/dbraw/zinc/61/11/28/599611128.db2.gz OKZNYCKRWKOJQQ-ZDUSSCGKSA-N -1 3 366.425 3.109 20 0 FGADHM CC(C)(NC(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1cccc(Cl)c1 ZINC000735671963 599611684 /nfs/dbraw/zinc/61/16/84/599611684.db2.gz WXACBZFZPAYZJC-UHFFFAOYSA-N -1 3 370.844 3.255 20 0 FGADHM CC(C)(NC(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1cccc(Cl)c1 ZINC000735671963 599611686 /nfs/dbraw/zinc/61/16/86/599611686.db2.gz WXACBZFZPAYZJC-UHFFFAOYSA-N -1 3 370.844 3.255 20 0 FGADHM O=C(OCc1ccccc1-c1nnn[n-]1)[C@H]1C[C@]12CCCc1ccccc12 ZINC000823431296 599621010 /nfs/dbraw/zinc/62/10/10/599621010.db2.gz PMOHCMFPUNALFR-NQIIRXRSSA-N -1 3 360.417 3.204 20 0 FGADHM O=C(OCc1ccccc1-c1nn[n-]n1)[C@H]1C[C@]12CCCc1ccccc12 ZINC000823431296 599621011 /nfs/dbraw/zinc/62/10/11/599621011.db2.gz PMOHCMFPUNALFR-NQIIRXRSSA-N -1 3 360.417 3.204 20 0 FGADHM CCO[C@@H](C)c1ncc(C(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)s1 ZINC000821346212 599621532 /nfs/dbraw/zinc/62/15/32/599621532.db2.gz DUFMRPUPJRYWTL-MNOVXSKESA-N -1 3 373.438 3.339 20 0 FGADHM CCO[C@@H](C)c1ncc(C(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)s1 ZINC000821346212 599621533 /nfs/dbraw/zinc/62/15/33/599621533.db2.gz DUFMRPUPJRYWTL-MNOVXSKESA-N -1 3 373.438 3.339 20 0 FGADHM Cc1cc(COC(=O)Cc2ccc(-c3nnn[n-]3)cc2)c2ccccc2n1 ZINC000822201282 599624030 /nfs/dbraw/zinc/62/40/30/599624030.db2.gz YSIGFBVTSMPXIV-UHFFFAOYSA-N -1 3 359.389 3.009 20 0 FGADHM Cc1cc(COC(=O)Cc2ccc(-c3nn[n-]n3)cc2)c2ccccc2n1 ZINC000822201282 599624031 /nfs/dbraw/zinc/62/40/31/599624031.db2.gz YSIGFBVTSMPXIV-UHFFFAOYSA-N -1 3 359.389 3.009 20 0 FGADHM CC[C@H](Cc1ccccc1)OC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000820916146 599625592 /nfs/dbraw/zinc/62/55/92/599625592.db2.gz ZMKLPYNFFJZKPZ-RHSMWYFYSA-N -1 3 366.421 3.199 20 0 FGADHM COc1cccc([C@@H](C)OC(=O)C=Cc2ccccc2-c2nnn[n-]2)c1 ZINC000821858071 599627968 /nfs/dbraw/zinc/62/79/68/599627968.db2.gz CTNFDIFYEKJCPC-OCHBPSSRSA-N -1 3 350.378 3.193 20 0 FGADHM COc1cccc([C@@H](C)OC(=O)C=Cc2ccccc2-c2nn[n-]n2)c1 ZINC000821858071 599627969 /nfs/dbraw/zinc/62/79/69/599627969.db2.gz CTNFDIFYEKJCPC-OCHBPSSRSA-N -1 3 350.378 3.193 20 0 FGADHM O=C(Nc1sccc1-c1nnn[n-]1)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000823387437 599629949 /nfs/dbraw/zinc/62/99/49/599629949.db2.gz JYIYXEHZCCETCV-KBXCAEBGSA-N -1 3 351.435 3.161 20 0 FGADHM O=C(Nc1sccc1-c1nn[n-]n1)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000823387437 599629950 /nfs/dbraw/zinc/62/99/50/599629950.db2.gz JYIYXEHZCCETCV-KBXCAEBGSA-N -1 3 351.435 3.161 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)[C@H]1Cc2ccccc21 ZINC000823303680 599634363 /nfs/dbraw/zinc/63/43/63/599634363.db2.gz QUCQBOGMTDQTAA-ZDUSSCGKSA-N -1 3 359.311 3.164 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)[C@H]1Cc2ccccc21 ZINC000823303680 599634364 /nfs/dbraw/zinc/63/43/64/599634364.db2.gz QUCQBOGMTDQTAA-ZDUSSCGKSA-N -1 3 359.311 3.164 20 0 FGADHM C[C@@H]1CN(Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)Cc2ccccc21 ZINC000820760077 599635428 /nfs/dbraw/zinc/63/54/28/599635428.db2.gz PMRQXIIJLJEYPW-CYBMUJFWSA-N -1 3 373.420 3.036 20 0 FGADHM C[C@@H]1CN(Cc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)Cc2ccccc21 ZINC000820760077 599635429 /nfs/dbraw/zinc/63/54/29/599635429.db2.gz PMRQXIIJLJEYPW-CYBMUJFWSA-N -1 3 373.420 3.036 20 0 FGADHM c1ccc(C2(NCc3nnc(-c4cccc(-c5nnn[n-]5)c4)o3)CCC2)cc1 ZINC000823774027 599636132 /nfs/dbraw/zinc/63/61/32/599636132.db2.gz XTZJXSVMERNXLP-UHFFFAOYSA-N -1 3 373.420 3.086 20 0 FGADHM c1ccc(C2(NCc3nnc(-c4cccc(-c5nn[n-]n5)c4)o3)CCC2)cc1 ZINC000823774027 599636133 /nfs/dbraw/zinc/63/61/33/599636133.db2.gz XTZJXSVMERNXLP-UHFFFAOYSA-N -1 3 373.420 3.086 20 0 FGADHM O=C(OCCOCC1CC1)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000823405231 599650855 /nfs/dbraw/zinc/65/08/55/599650855.db2.gz MFAYCUNPJWHFCB-UHFFFAOYSA-N -1 3 364.405 3.117 20 0 FGADHM O=C(OCCOCC1CC1)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000823405231 599650856 /nfs/dbraw/zinc/65/08/56/599650856.db2.gz MFAYCUNPJWHFCB-UHFFFAOYSA-N -1 3 364.405 3.117 20 0 FGADHM O=C(OCc1ncc(-c2ccccc2F)o1)c1sccc1-c1nnn[n-]1 ZINC000823440074 599659204 /nfs/dbraw/zinc/65/92/04/599659204.db2.gz BDYGFUZSCSXZCK-UHFFFAOYSA-N -1 3 371.353 3.079 20 0 FGADHM CC(C)[C@@H](C(=O)OCCOc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000820016915 599669391 /nfs/dbraw/zinc/66/93/91/599669391.db2.gz QPVFYYMMELIXGV-GOSISDBHSA-N -1 3 366.421 3.229 20 0 FGADHM CC(C)[C@@H](C(=O)OCCOc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000820016915 599669392 /nfs/dbraw/zinc/66/93/92/599669392.db2.gz QPVFYYMMELIXGV-GOSISDBHSA-N -1 3 366.421 3.229 20 0 FGADHM C[C@H](NC(=O)NC1(c2ccc(F)cc2)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820357128 599673707 /nfs/dbraw/zinc/67/37/07/599673707.db2.gz FACACJDPUWZXBM-LBPRGKRZSA-N -1 3 366.400 3.055 20 0 FGADHM C[C@H](NC(=O)NC1(c2ccc(F)cc2)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820357128 599673708 /nfs/dbraw/zinc/67/37/08/599673708.db2.gz FACACJDPUWZXBM-LBPRGKRZSA-N -1 3 366.400 3.055 20 0 FGADHM C[C@@H](NC(=O)NC1(c2ccccc2F)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820358239 599681554 /nfs/dbraw/zinc/68/15/54/599681554.db2.gz LSTJNYZWTQWOPN-GFCCVEGCSA-N -1 3 366.400 3.055 20 0 FGADHM C[C@@H](NC(=O)NC1(c2ccccc2F)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820358239 599681555 /nfs/dbraw/zinc/68/15/55/599681555.db2.gz LSTJNYZWTQWOPN-GFCCVEGCSA-N -1 3 366.400 3.055 20 0 FGADHM CC(C)C[C@H](CCO)CNc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000820055276 599686357 /nfs/dbraw/zinc/68/63/57/599686357.db2.gz HIZRXOPDBHMDLZ-NSHDSACASA-N -1 3 357.380 3.342 20 0 FGADHM CO[C@]1(C)C[C@@H](Nc2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)C1(C)C ZINC000821678004 599688491 /nfs/dbraw/zinc/68/84/91/599688491.db2.gz IAFYHLWLBFSQQM-FZKQIMNGSA-N -1 3 374.395 3.309 20 0 FGADHM CO[C@]1(C)C[C@@H](Nc2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)C1(C)C ZINC000821678004 599688492 /nfs/dbraw/zinc/68/84/92/599688492.db2.gz IAFYHLWLBFSQQM-FZKQIMNGSA-N -1 3 374.395 3.309 20 0 FGADHM CSc1ccccc1NC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826231664 607390924 /nfs/dbraw/zinc/39/09/24/607390924.db2.gz VBBPINUOGHLPQP-UHFFFAOYSA-N -1 3 366.450 3.399 20 0 FGADHM CSc1ccccc1NC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826231664 607390926 /nfs/dbraw/zinc/39/09/26/607390926.db2.gz VBBPINUOGHLPQP-UHFFFAOYSA-N -1 3 366.450 3.399 20 0 FGADHM COc1ccc(COC(=O)[C@@H]2C[C@@H]2c2sccc2C)cc1-c1nnn[n-]1 ZINC000826205394 607391017 /nfs/dbraw/zinc/39/10/17/607391017.db2.gz UYYGTMZPHQAXNV-QWHCGFSZSA-N -1 3 370.434 3.092 20 0 FGADHM COc1ccc(COC(=O)[C@@H]2C[C@@H]2c2sccc2C)cc1-c1nn[n-]n1 ZINC000826205394 607391019 /nfs/dbraw/zinc/39/10/19/607391019.db2.gz UYYGTMZPHQAXNV-QWHCGFSZSA-N -1 3 370.434 3.092 20 0 FGADHM CC(C)c1ccc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)cn1 ZINC000820187516 607393068 /nfs/dbraw/zinc/39/30/68/607393068.db2.gz FIBZGYOPKHAVOK-UHFFFAOYSA-N -1 3 374.351 3.239 20 0 FGADHM CC(C)c1ccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)cn1 ZINC000820187516 607393070 /nfs/dbraw/zinc/39/30/70/607393070.db2.gz FIBZGYOPKHAVOK-UHFFFAOYSA-N -1 3 374.351 3.239 20 0 FGADHM COCc1cc(CNCc2cc(C)c(OCC(=O)[O-])c(C)c2)ccc1F ZINC000737830094 599781378 /nfs/dbraw/zinc/78/13/78/599781378.db2.gz RYBSGVGYWVCLOX-UHFFFAOYSA-N -1 3 361.413 3.342 20 0 FGADHM CCO[C@@H](CC(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1)C(C)C ZINC000821351108 607395165 /nfs/dbraw/zinc/39/51/65/607395165.db2.gz LAYFCHQYXMQNEN-INIZCTEOSA-N -1 3 361.446 3.044 20 0 FGADHM CCO[C@@H](CC(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1)C(C)C ZINC000821351108 607395167 /nfs/dbraw/zinc/39/51/67/607395167.db2.gz LAYFCHQYXMQNEN-INIZCTEOSA-N -1 3 361.446 3.044 20 0 FGADHM O=C(Nc1sc(-c2ccccc2)cc1-c1nnn[n-]1)[C@H]1CCCCO1 ZINC000823383123 607395181 /nfs/dbraw/zinc/39/51/81/607395181.db2.gz MAAFGJYBARXBMK-CYBMUJFWSA-N -1 3 355.423 3.103 20 0 FGADHM O=C(Nc1sc(-c2ccccc2)cc1-c1nn[n-]n1)[C@H]1CCCCO1 ZINC000823383123 607395182 /nfs/dbraw/zinc/39/51/82/607395182.db2.gz MAAFGJYBARXBMK-CYBMUJFWSA-N -1 3 355.423 3.103 20 0 FGADHM Cc1cscc1NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000826321136 607396565 /nfs/dbraw/zinc/39/65/65/607396565.db2.gz RRGZWEBORZQTMI-UHFFFAOYSA-N -1 3 354.439 3.433 20 0 FGADHM Cc1cscc1NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000826321136 607396568 /nfs/dbraw/zinc/39/65/68/607396568.db2.gz RRGZWEBORZQTMI-UHFFFAOYSA-N -1 3 354.439 3.433 20 0 FGADHM COc1ccc([C@@H](NCc2csc(Br)c2)C(=O)[O-])cc1 ZINC000737969006 599862799 /nfs/dbraw/zinc/86/27/99/599862799.db2.gz IDWFXLYMCRZEPN-CYBMUJFWSA-N -1 3 356.241 3.435 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)c1c(Cl)n(C)nc1C(C)C ZINC000826253841 607407102 /nfs/dbraw/zinc/40/71/02/607407102.db2.gz GYRGMUJHMHWVTB-UHFFFAOYSA-N -1 3 374.832 3.042 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)c1c(Cl)n(C)nc1C(C)C ZINC000826253841 607407104 /nfs/dbraw/zinc/40/71/04/607407104.db2.gz GYRGMUJHMHWVTB-UHFFFAOYSA-N -1 3 374.832 3.042 20 0 FGADHM C[C@@H](CN(CC(=O)N[C@@H](C)c1ccc2ccccc2c1)C1CC1)C(=O)[O-] ZINC000736577337 599950834 /nfs/dbraw/zinc/95/08/34/599950834.db2.gz ANTXCTQAELZYFL-GJZGRUSLSA-N -1 3 354.450 3.202 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)c1c(F)cccc1Cl ZINC000821745073 607410502 /nfs/dbraw/zinc/41/05/02/607410502.db2.gz CNTJIEUDXFBQOY-UHFFFAOYSA-N -1 3 362.748 3.025 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)c1c(F)cccc1Cl ZINC000821745073 607410503 /nfs/dbraw/zinc/41/05/03/607410503.db2.gz CNTJIEUDXFBQOY-UHFFFAOYSA-N -1 3 362.748 3.025 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)C=C(C)c1ccc(F)cc1 ZINC000821740987 607415068 /nfs/dbraw/zinc/41/50/68/607415068.db2.gz FNMACRMBDVELCQ-XFXZXTDPSA-N -1 3 368.368 3.161 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)C=C(C)c1ccc(F)cc1 ZINC000821740987 607415070 /nfs/dbraw/zinc/41/50/70/607415070.db2.gz FNMACRMBDVELCQ-XFXZXTDPSA-N -1 3 368.368 3.161 20 0 FGADHM Cc1cccc(NC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3C(=O)[O-])C2)n1 ZINC000738731253 600086284 /nfs/dbraw/zinc/08/62/84/600086284.db2.gz BCZRXHZHWDXDTG-OAHLLOKOSA-N -1 3 371.412 3.078 20 0 FGADHM CC(C)(C)OC(=O)NC[C@@H]1CCCN(Cc2ccc(F)cc2C(=O)[O-])C1 ZINC000736283372 600089657 /nfs/dbraw/zinc/08/96/57/600089657.db2.gz JVGPVCMFJAQOTI-ZDUSSCGKSA-N -1 3 366.433 3.261 20 0 FGADHM CC(C)[C@@H](NCC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-])c1ccccc1 ZINC000736388669 600117787 /nfs/dbraw/zinc/11/77/87/600117787.db2.gz BZJIBWYMCQRXCA-PZJWPPBQSA-N -1 3 366.461 3.011 20 0 FGADHM CC(C)(CC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1ccccc1 ZINC000824152339 607425247 /nfs/dbraw/zinc/42/52/47/607425247.db2.gz BAOAPCQQDSCCAM-UHFFFAOYSA-N -1 3 361.449 3.340 20 0 FGADHM CC(C)(CC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1ccccc1 ZINC000824152339 607425249 /nfs/dbraw/zinc/42/52/49/607425249.db2.gz BAOAPCQQDSCCAM-UHFFFAOYSA-N -1 3 361.449 3.340 20 0 FGADHM Cc1cc(NC(=O)N2CCN(C3CCC(C)CC3)CC2)ccc1C(=O)[O-] ZINC000738437508 600183872 /nfs/dbraw/zinc/18/38/72/600183872.db2.gz MQZVXBROPVQNDA-UHFFFAOYSA-N -1 3 359.470 3.421 20 0 FGADHM C[C@@H](C(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1cccc(Cl)c1 ZINC000824039646 607422031 /nfs/dbraw/zinc/42/20/31/607422031.db2.gz GIQPZPFUUYYHMI-GFCCVEGCSA-N -1 3 367.840 3.429 20 0 FGADHM C[C@@H](C(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1cccc(Cl)c1 ZINC000824039646 607422034 /nfs/dbraw/zinc/42/20/34/607422034.db2.gz GIQPZPFUUYYHMI-GFCCVEGCSA-N -1 3 367.840 3.429 20 0 FGADHM CC[C@@]1(C)CCN(C(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)C1 ZINC000820949896 607429707 /nfs/dbraw/zinc/42/97/07/607429707.db2.gz HGZQZAQRVLNGNQ-SFHVURJKSA-N -1 3 358.446 3.308 20 0 FGADHM CC[C@@]1(C)CCN(C(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)C1 ZINC000820949896 607429708 /nfs/dbraw/zinc/42/97/08/607429708.db2.gz HGZQZAQRVLNGNQ-SFHVURJKSA-N -1 3 358.446 3.308 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(Cc1ccco1)c1ccccn1 ZINC000826244331 607430575 /nfs/dbraw/zinc/43/05/75/607430575.db2.gz OMUWMDFSXKCHDQ-UHFFFAOYSA-N -1 3 360.377 3.010 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(Cc1ccco1)c1ccccn1 ZINC000826244331 607430576 /nfs/dbraw/zinc/43/05/76/607430576.db2.gz OMUWMDFSXKCHDQ-UHFFFAOYSA-N -1 3 360.377 3.010 20 0 FGADHM CC(C)Oc1ccc(NC(=O)N2CC[C@H](C(C)C)C2)cc1-c1nnn[n-]1 ZINC000820164177 607430716 /nfs/dbraw/zinc/43/07/16/607430716.db2.gz GGATXNNRXUXOBK-ZDUSSCGKSA-N -1 3 358.446 3.164 20 0 FGADHM CC(C)Oc1ccc(NC(=O)N2CC[C@H](C(C)C)C2)cc1-c1nn[n-]n1 ZINC000820164177 607430717 /nfs/dbraw/zinc/43/07/17/607430717.db2.gz GGATXNNRXUXOBK-ZDUSSCGKSA-N -1 3 358.446 3.164 20 0 FGADHM CC(C)Oc1ccc(NC(=O)N2CCC[C@@H]3CCC[C@H]32)cc1-c1nnn[n-]1 ZINC000820164054 607431839 /nfs/dbraw/zinc/43/18/39/607431839.db2.gz BKXPYMRZCGNYBH-XJKSGUPXSA-N -1 3 370.457 3.450 20 0 FGADHM CC(C)Oc1ccc(NC(=O)N2CCC[C@@H]3CCC[C@H]32)cc1-c1nn[n-]n1 ZINC000820164054 607431840 /nfs/dbraw/zinc/43/18/40/607431840.db2.gz BKXPYMRZCGNYBH-XJKSGUPXSA-N -1 3 370.457 3.450 20 0 FGADHM O=C([O-])c1ccc2c(cnn2CN2CC[C@H](Cc3ccc(F)cc3)C2)c1 ZINC000740202863 600259493 /nfs/dbraw/zinc/25/94/93/600259493.db2.gz LWGILLDGYFIUFN-OAHLLOKOSA-N -1 3 353.397 3.396 20 0 FGADHM CN(C(=O)CCc1ccc(-c2ccccc2)[nH]1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825817603 607434212 /nfs/dbraw/zinc/43/42/12/607434212.db2.gz LUVOCPHXTARFHL-UHFFFAOYSA-N -1 3 372.432 3.457 20 0 FGADHM CN(C(=O)CCc1ccc(-c2ccccc2)[nH]1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825817603 607434213 /nfs/dbraw/zinc/43/42/13/607434213.db2.gz LUVOCPHXTARFHL-UHFFFAOYSA-N -1 3 372.432 3.457 20 0 FGADHM C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)Nc2ccc(F)c(C(=O)[O-])c2)C1 ZINC000736726212 600384078 /nfs/dbraw/zinc/38/40/78/600384078.db2.gz ZUOHNZDITAJTKS-BBRMVZONSA-N -1 3 371.412 3.481 20 0 FGADHM O=C([O-])c1cc(NC(=O)NCCCN2CCc3ccccc3C2)ccc1F ZINC000739416941 600390156 /nfs/dbraw/zinc/39/01/56/600390156.db2.gz PARGJJQXKKMLCM-UHFFFAOYSA-N -1 3 371.412 3.094 20 0 FGADHM Cc1cc(NC(=O)NC[C@H](C)N(C)Cc2ccccc2)ccc1C(=O)[O-] ZINC000390560760 600393191 /nfs/dbraw/zinc/39/31/91/600393191.db2.gz RWMFUJABTSUXOX-HNNXBMFYSA-N -1 3 355.438 3.335 20 0 FGADHM CN(C)Cc1c2ccccc2oc1C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000737368984 600405510 /nfs/dbraw/zinc/40/55/10/600405510.db2.gz XXAZGOMKIKZUDY-UHFFFAOYSA-N -1 3 368.389 3.210 20 0 FGADHM COc1cccc([C@@H](C)N2CCN([C@H](C(=O)[O-])c3ccccc3)CC2)c1 ZINC000738092141 600406302 /nfs/dbraw/zinc/40/63/02/600406302.db2.gz NRHVQFISTBJEMF-UZLBHIALSA-N -1 3 354.450 3.200 20 0 FGADHM O=C([O-])[C@@H](NCc1cccc(COC2CCOCC2)c1)c1ccc(F)cc1 ZINC000739500731 600436816 /nfs/dbraw/zinc/43/68/16/600436816.db2.gz RXWOQDPRSGFVGD-FQEVSTJZSA-N -1 3 373.424 3.437 20 0 FGADHM O=C([O-])[C@H](NCc1cccc(COC2CCOCC2)c1)c1ccc(F)cc1 ZINC000739500738 600437026 /nfs/dbraw/zinc/43/70/26/600437026.db2.gz RXWOQDPRSGFVGD-HXUWFJFHSA-N -1 3 373.424 3.437 20 0 FGADHM O=C(N[C@H]1CCCc2ccccc21)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826430462 607447223 /nfs/dbraw/zinc/44/72/23/607447223.db2.gz CNSIZHDHTKGSCB-SFHVURJKSA-N -1 3 374.448 3.233 20 0 FGADHM O=C(N[C@H]1CCCc2ccccc21)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826430462 607447224 /nfs/dbraw/zinc/44/72/24/607447224.db2.gz CNSIZHDHTKGSCB-SFHVURJKSA-N -1 3 374.448 3.233 20 0 FGADHM O=C(N[C@@H](c1ccccc1)C1CC1)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826427453 607448416 /nfs/dbraw/zinc/44/84/16/607448416.db2.gz PXBAWEALNLFJRX-SFHVURJKSA-N -1 3 374.448 3.306 20 0 FGADHM O=C(N[C@@H](c1ccccc1)C1CC1)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826427453 607448417 /nfs/dbraw/zinc/44/84/17/607448417.db2.gz PXBAWEALNLFJRX-SFHVURJKSA-N -1 3 374.448 3.306 20 0 FGADHM Cc1cc(CN[C@@H](C)c2ccc(NC(N)=O)cc2)cc(C)c1OCC(=O)[O-] ZINC000738387085 600652475 /nfs/dbraw/zinc/65/24/75/600652475.db2.gz CHDSTLVMJNLDRU-AWEZNQCLSA-N -1 3 371.437 3.108 20 0 FGADHM CN(C)Cc1cccc(C(=O)Nc2cccc(CSCC(=O)[O-])c2)c1 ZINC000737369908 600801938 /nfs/dbraw/zinc/80/19/38/600801938.db2.gz ANIKNRDSTGRBKO-UHFFFAOYSA-N -1 3 358.463 3.318 20 0 FGADHM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cccc(CN(C)C)c2)cc1 ZINC000738202358 600801943 /nfs/dbraw/zinc/80/19/43/600801943.db2.gz FROCNCMPMOZDJN-GOSISDBHSA-N -1 3 372.490 3.416 20 0 FGADHM CN(C)Cc1cccc(C(=O)N[C@H](CC(=O)[O-])c2cccc(Cl)c2)c1 ZINC000830619343 600814493 /nfs/dbraw/zinc/81/44/93/600814493.db2.gz CNSVZKKXYLOMCQ-QGZVFWFLSA-N -1 3 360.841 3.347 20 0 FGADHM C[C@@H]1CC[C@@H](C)N1CC(=O)NC[C@@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC000828213820 600950067 /nfs/dbraw/zinc/95/00/67/600950067.db2.gz DTBSPCPADCJYTB-GPMSIDNRSA-N -1 3 368.477 3.072 20 0 FGADHM CCc1cccc2c1OCC[C@H]2NCc1ccc(-c2nn[n-]n2)cc1F ZINC000821492536 607478844 /nfs/dbraw/zinc/47/88/44/607478844.db2.gz QAWGFSGRMVVVIG-QGZVFWFLSA-N -1 3 353.401 3.182 20 0 FGADHM COc1ccc(CN(C)Cc2nc3ccccc3s2)cc1-c1nnn[n-]1 ZINC000826193185 607482237 /nfs/dbraw/zinc/48/22/37/607482237.db2.gz SWLNOIJLTRLVEW-UHFFFAOYSA-N -1 3 366.450 3.117 20 0 FGADHM COc1ccc(CN(C)Cc2nc3ccccc3s2)cc1-c1nn[n-]n1 ZINC000826193185 607482238 /nfs/dbraw/zinc/48/22/38/607482238.db2.gz SWLNOIJLTRLVEW-UHFFFAOYSA-N -1 3 366.450 3.117 20 0 FGADHM CCC[C@@](C)(NCc1csc(CC(=O)Nc2ccccc2)n1)C(=O)[O-] ZINC000829202731 601007480 /nfs/dbraw/zinc/00/74/80/601007480.db2.gz RBJORFRXLPDWAR-GOSISDBHSA-N -1 3 361.467 3.057 20 0 FGADHM Cn1cc(C[C@@H]2CCN([C@H](C(=O)[O-])c3ccc(Cl)cc3Cl)C2)cn1 ZINC000833043763 601118467 /nfs/dbraw/zinc/11/84/67/601118467.db2.gz HGGNIYCJTPFGTD-ZBEGNZNMSA-N -1 3 368.264 3.417 20 0 FGADHM Oc1cccc(CN(CC2CC2)c2ncc(-c3nnn[n-]3)cc2Cl)c1 ZINC000823732226 607495571 /nfs/dbraw/zinc/49/55/71/607495571.db2.gz JLKVMSNOLIDLEB-UHFFFAOYSA-N -1 3 356.817 3.037 20 0 FGADHM Oc1cccc(CN(CC2CC2)c2ncc(-c3nn[n-]n3)cc2Cl)c1 ZINC000823732226 607495573 /nfs/dbraw/zinc/49/55/73/607495573.db2.gz JLKVMSNOLIDLEB-UHFFFAOYSA-N -1 3 356.817 3.037 20 0 FGADHM COC[C@@](C)(CC(=O)[O-])NCc1cc(Br)ccc1Cl ZINC000831577332 601490401 /nfs/dbraw/zinc/49/04/01/601490401.db2.gz FFRCAUCVVAOCBN-CYBMUJFWSA-N -1 3 350.640 3.072 20 0 FGADHM C[C@H](C(=O)Nc1ccccc1-c1ccccc1)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000263153835 601500848 /nfs/dbraw/zinc/50/08/48/601500848.db2.gz FPBKJPNJRHBZCX-IIDMSEBBSA-N -1 3 352.434 3.333 20 0 FGADHM C[C@H]1CN(Cc2coc(-c3ccc(Br)cc3)n2)C[C@@H]1C(=O)[O-] ZINC000828464470 601520145 /nfs/dbraw/zinc/52/01/45/601520145.db2.gz VFMDYCZDSZRCRQ-HZMBPMFUSA-N -1 3 365.227 3.257 20 0 FGADHM COc1ccc([C@@H](NCc2cccc(SC(=O)N(C)C)c2)C(=O)[O-])cc1 ZINC000832253394 601532289 /nfs/dbraw/zinc/53/22/89/601532289.db2.gz YARJRRIGCNLQIK-QGZVFWFLSA-N -1 3 374.462 3.384 20 0 FGADHM Cc1sc(C(=O)[O-])cc1CN1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000833033252 601649664 /nfs/dbraw/zinc/64/96/64/601649664.db2.gz XALDWEALRZFXKC-OAHLLOKOSA-N -1 3 372.490 3.397 20 0 FGADHM C[C@H](C(=O)[O-])[C@H](NCC(=O)N1c2ccccc2CC[C@H]1C)c1ccccc1 ZINC000826044822 601653078 /nfs/dbraw/zinc/65/30/78/601653078.db2.gz LYUFIQRGKRISGF-XFQAVAEZSA-N -1 3 366.461 3.406 20 0 FGADHM C[C@H](NC(=O)CN[C@@H](c1ccccc1)[C@H](C)C(=O)[O-])c1ccc(F)cc1 ZINC000827637714 601656764 /nfs/dbraw/zinc/65/67/64/601656764.db2.gz VYJYMDKCAJKLPX-CKFHNAJUSA-N -1 3 358.413 3.055 20 0 FGADHM C[C@@H](C(=O)[O-])[C@@H](NCC(=O)NCc1cccc(Cl)c1)c1ccccc1 ZINC000826055184 601656922 /nfs/dbraw/zinc/65/69/22/601656922.db2.gz WPSOPFJSOXQOSH-FZKQIMNGSA-N -1 3 360.841 3.008 20 0 FGADHM CC(C(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1)=C1CCCC1 ZINC000825995414 601776163 /nfs/dbraw/zinc/77/61/63/601776163.db2.gz OVLLZGFLMPXJOC-OAQYLSRUSA-N -1 3 356.466 3.113 20 0 FGADHM O=C([O-])c1cccc(CNC(=O)N[C@@H](CN2CCCC2)c2ccccc2)c1 ZINC000666516311 601849747 /nfs/dbraw/zinc/84/97/47/601849747.db2.gz JABWSURUZFRSKF-IBGZPJMESA-N -1 3 367.449 3.021 20 0 FGADHM C[C@H]1C[C@H](NC(=O)Nc2cccc(C(=O)[O-])c2)CN1Cc1ccccc1 ZINC000398231268 601881900 /nfs/dbraw/zinc/88/19/00/601881900.db2.gz ZUQSTAQBNCAPOG-KSSFIOAISA-N -1 3 353.422 3.169 20 0 FGADHM CN(CCOc1cccc(F)c1)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830795104 601904960 /nfs/dbraw/zinc/90/49/60/601904960.db2.gz IAQIZWFLLXSEHR-MRXNPFEDSA-N -1 3 357.303 3.380 20 0 FGADHM C[C@H](CN(CC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1)C1CC1)C(=O)[O-] ZINC000827450342 601917988 /nfs/dbraw/zinc/91/79/88/601917988.db2.gz VVUBZCJJAYQZIL-OLZOCXBDSA-N -1 3 352.862 3.045 20 0 FGADHM C[C@@]1(C(=O)[O-])CCN(Cc2coc(-c3ccc(Br)cc3)n2)C1 ZINC000263100729 601922993 /nfs/dbraw/zinc/92/29/93/601922993.db2.gz IUMTYHFKKMEPFL-MRXNPFEDSA-N -1 3 365.227 3.401 20 0 FGADHM Cc1ccc(NC(=O)C2CCN(Cc3ccc(C(=O)[O-])s3)CC2)nc1 ZINC000832940606 601946065 /nfs/dbraw/zinc/94/60/65/601946065.db2.gz ADYZNCJVHYLMPF-UHFFFAOYSA-N -1 3 359.451 3.000 20 0 FGADHM CN(C(=O)[O-])[C@@H]1CCCN(Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000739584236 601965346 /nfs/dbraw/zinc/96/53/46/601965346.db2.gz JCSRRXANNCZALE-GOSISDBHSA-N -1 3 355.438 3.235 20 0 FGADHM COc1cc(C(C)=O)ccc1SCCOc1ccccc1-c1nnn[n-]1 ZINC000826177548 607541032 /nfs/dbraw/zinc/54/10/32/607541032.db2.gz MOXKEWMNUYKUOJ-UHFFFAOYSA-N -1 3 370.434 3.249 20 0 FGADHM COc1cc(C(C)=O)ccc1SCCOc1ccccc1-c1nn[n-]n1 ZINC000826177548 607541033 /nfs/dbraw/zinc/54/10/33/607541033.db2.gz MOXKEWMNUYKUOJ-UHFFFAOYSA-N -1 3 370.434 3.249 20 0 FGADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2cnn(CCC(C)C)c2C)s1 ZINC000825694685 607537602 /nfs/dbraw/zinc/53/76/02/607537602.db2.gz ZIOYFMICOSNPCH-UHFFFAOYSA-N -1 3 373.486 3.294 20 0 FGADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2cnn(CCC(C)C)c2C)s1 ZINC000825694685 607537603 /nfs/dbraw/zinc/53/76/03/607537603.db2.gz ZIOYFMICOSNPCH-UHFFFAOYSA-N -1 3 373.486 3.294 20 0 FGADHM O=C([O-])N1CCC(CCN[C@H](C(=O)N2CCCCC2)c2ccccc2)CC1 ZINC000740501217 602054476 /nfs/dbraw/zinc/05/44/76/602054476.db2.gz NSYXZTDOVLPQMF-IBGZPJMESA-N -1 3 373.497 3.110 20 0 FGADHM COc1ccc(CSc2ncnc3ccsc32)cc1-c1nnn[n-]1 ZINC000826207915 607542497 /nfs/dbraw/zinc/54/24/97/607542497.db2.gz KHNZHUORFRENGN-UHFFFAOYSA-N -1 3 356.436 3.172 20 0 FGADHM COc1ccc(CSc2ncnc3ccsc32)cc1-c1nn[n-]n1 ZINC000826207915 607542499 /nfs/dbraw/zinc/54/24/99/607542499.db2.gz KHNZHUORFRENGN-UHFFFAOYSA-N -1 3 356.436 3.172 20 0 FGADHM O=C([O-])[C@@H](NCc1cnc2ccccn12)c1ccc(Br)cc1 ZINC000833170146 602327576 /nfs/dbraw/zinc/32/75/76/602327576.db2.gz QEIGUVGUZBGNOO-HNNXBMFYSA-N -1 3 360.211 3.012 20 0 FGADHM Cc1cc(NC(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)ccc1C(=O)[O-] ZINC000380795059 602363914 /nfs/dbraw/zinc/36/39/14/602363914.db2.gz XIUTVAMGASQOOZ-GOSISDBHSA-N -1 3 367.449 3.431 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1ccc2c(n1)CCCC2 ZINC000826453115 607566691 /nfs/dbraw/zinc/56/66/91/607566691.db2.gz WFRALNRPAFAIGA-UHFFFAOYSA-N -1 3 354.801 3.046 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1ccc2c(n1)CCCC2 ZINC000826453115 607566693 /nfs/dbraw/zinc/56/66/93/607566693.db2.gz WFRALNRPAFAIGA-UHFFFAOYSA-N -1 3 354.801 3.046 20 0 FGADHM CCCC[C@H](NC(=O)NCc1ccc(OC)c(-c2nnn[n-]2)c1)C1CCC1 ZINC000825259982 607571072 /nfs/dbraw/zinc/57/10/72/607571072.db2.gz LVJWBJIFDSAKKP-INIZCTEOSA-N -1 3 372.473 3.033 20 0 FGADHM CCCC[C@H](NC(=O)NCc1ccc(OC)c(-c2nn[n-]n2)c1)C1CCC1 ZINC000825259982 607571074 /nfs/dbraw/zinc/57/10/74/607571074.db2.gz LVJWBJIFDSAKKP-INIZCTEOSA-N -1 3 372.473 3.033 20 0 FGADHM O=C([O-])Nc1ccc(NC(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000740710311 602603090 /nfs/dbraw/zinc/60/30/90/602603090.db2.gz NZZNQZFOKZUJPD-KRWDZBQOSA-N -1 3 354.410 3.173 20 0 FGADHM CCC(=CC(=O)Nc1sccc1-c1nnn[n-]1)c1ccc(OC)cc1 ZINC000825028545 607575680 /nfs/dbraw/zinc/57/56/80/607575680.db2.gz IYVPBQOFHLUNCI-ZHACJKMWSA-N -1 3 355.423 3.369 20 0 FGADHM CCC(=CC(=O)Nc1sccc1-c1nn[n-]n1)c1ccc(OC)cc1 ZINC000825028545 607575682 /nfs/dbraw/zinc/57/56/82/607575682.db2.gz IYVPBQOFHLUNCI-ZHACJKMWSA-N -1 3 355.423 3.369 20 0 FGADHM Cc1nn(Cc2ccccc2)c(Cl)c1CNC1CCN(C(=O)[O-])CC1 ZINC000740254818 602648788 /nfs/dbraw/zinc/64/87/88/602648788.db2.gz ZGRDCCZOUKIJAA-UHFFFAOYSA-N -1 3 362.861 3.125 20 0 FGADHM CN(C)Cc1c2ccccc2oc1C(=O)NCC[C@H]1CCCN(C(=O)[O-])C1 ZINC000739609453 603100401 /nfs/dbraw/zinc/10/04/01/603100401.db2.gz DWACRAVTSGKUNC-CQSZACIVSA-N -1 3 373.453 3.004 20 0 FGADHM Cc1nn(-c2ccccc2)cc1CNC[C@@H](NC(=O)[O-])c1ccccc1 ZINC000830839091 603175684 /nfs/dbraw/zinc/17/56/84/603175684.db2.gz DMYJQWZMHJQNKB-LJQANCHMSA-N -1 3 350.422 3.279 20 0 FGADHM O=C([O-])N[C@H](CNCc1cnn(-c2ccc(F)cc2)c1)c1ccccc1 ZINC000832141247 603178544 /nfs/dbraw/zinc/17/85/44/603178544.db2.gz RJOYNSXXOUKQCG-GOSISDBHSA-N -1 3 354.385 3.110 20 0 FGADHM Cc1ccccc1N(C(C)C)S(=O)(=O)c1cccc(C)c1-c1nnn[n-]1 ZINC000826307853 607612344 /nfs/dbraw/zinc/61/23/44/607612344.db2.gz ZARLUORCBNNEPN-UHFFFAOYSA-N -1 3 371.466 3.087 20 0 FGADHM Cc1ccccc1N(C(C)C)S(=O)(=O)c1cccc(C)c1-c1nn[n-]n1 ZINC000826307853 607612346 /nfs/dbraw/zinc/61/23/46/607612346.db2.gz ZARLUORCBNNEPN-UHFFFAOYSA-N -1 3 371.466 3.087 20 0 FGADHM O=C([O-])Nc1ccc(CNC[C@H](O)c2cc(Cl)cc(Cl)c2)cn1 ZINC000832841801 603556038 /nfs/dbraw/zinc/55/60/38/603556038.db2.gz HNBLMSJNQPVXTD-ZDUSSCGKSA-N -1 3 356.209 3.302 20 0 FGADHM C[C@@H](C(=O)N1CCC[C@@H]1c1cccs1)N(C)CC(C)(C)CNC(=O)[O-] ZINC000823670386 603626967 /nfs/dbraw/zinc/62/69/67/603626967.db2.gz VNCULGIHKLWQAO-UONOGXRCSA-N -1 3 367.515 3.026 20 0 FGADHM Cc1oc(NC(=O)CN(C)c2ccc(C(C)C)cc2)c(-c2nnn[n-]2)c1C ZINC000826342142 607641760 /nfs/dbraw/zinc/64/17/60/607641760.db2.gz YZTIAUNESURWRU-UHFFFAOYSA-N -1 3 368.441 3.275 20 0 FGADHM C[C@H](NC(=O)[O-])[C@@H]1CCCCN1Cc1ccc(SC(=O)N(C)C)cc1 ZINC000825192140 603733212 /nfs/dbraw/zinc/73/32/12/603733212.db2.gz CCZGEVPSNCPANE-BBRMVZONSA-N -1 3 365.499 3.471 20 0 FGADHM CCC[C@H](NC(=O)CN(C)C1CCC(NC(=O)[O-])CC1)c1ccccc1 ZINC000826742410 603784604 /nfs/dbraw/zinc/78/46/04/603784604.db2.gz AFCPOVGYGRGZEX-ABHNRTSZSA-N -1 3 361.486 3.155 20 0 FGADHM CC(C)Oc1ccc([C@H](O)CNCc2cccc3c2N(C(=O)[O-])CC3)cc1 ZINC000824412001 603861633 /nfs/dbraw/zinc/86/16/33/603861633.db2.gz SANZCWNDEDCYCN-LJQANCHMSA-N -1 3 370.449 3.338 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NCCc1cccc2ccccc21 ZINC000826249379 607663696 /nfs/dbraw/zinc/66/36/96/607663696.db2.gz ZUMDANRTECKLOB-UHFFFAOYSA-N -1 3 357.417 3.301 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NCCc1cccc2ccccc21 ZINC000826249379 607663698 /nfs/dbraw/zinc/66/36/98/607663698.db2.gz ZUMDANRTECKLOB-UHFFFAOYSA-N -1 3 357.417 3.301 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCC[C@H]1CCc1ccccc1 ZINC000826245125 607666601 /nfs/dbraw/zinc/66/66/01/607666601.db2.gz OGOCMPGYBARMSD-SFHVURJKSA-N -1 3 361.449 3.413 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCC[C@H]1CCc1ccccc1 ZINC000826245125 607666603 /nfs/dbraw/zinc/66/66/03/607666603.db2.gz OGOCMPGYBARMSD-SFHVURJKSA-N -1 3 361.449 3.413 20 0 FGADHM O=C(NCc1ccccc1Cl)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826443290 607674333 /nfs/dbraw/zinc/67/43/33/607674333.db2.gz JKQWSMYIVQJZOM-UHFFFAOYSA-N -1 3 368.828 3.009 20 0 FGADHM O=C(NCc1ccccc1Cl)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826443290 607674335 /nfs/dbraw/zinc/67/43/35/607674335.db2.gz JKQWSMYIVQJZOM-UHFFFAOYSA-N -1 3 368.828 3.009 20 0 FGADHM c1ccc(-c2cccc(CNc3nc4c(cc3-c3nnn[n-]3)CCC4)c2)nc1 ZINC000826519249 607678893 /nfs/dbraw/zinc/67/88/93/607678893.db2.gz QCLBYZOQIASLML-UHFFFAOYSA-N -1 3 369.432 3.425 20 0 FGADHM c1ccc(-c2cccc(CNc3nc4c(cc3-c3nn[n-]n3)CCC4)c2)nc1 ZINC000826519249 607678895 /nfs/dbraw/zinc/67/88/95/607678895.db2.gz QCLBYZOQIASLML-UHFFFAOYSA-N -1 3 369.432 3.425 20 0 FGADHM CCOC(=O)CCC1CCN(c2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000825508390 607679865 /nfs/dbraw/zinc/67/98/65/607679865.db2.gz YGNDYSPOQWWREC-UHFFFAOYSA-N -1 3 363.849 3.080 20 0 FGADHM CCOC(=O)CCC1CCN(c2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000825508390 607679866 /nfs/dbraw/zinc/67/98/66/607679866.db2.gz YGNDYSPOQWWREC-UHFFFAOYSA-N -1 3 363.849 3.080 20 0 FGADHM CSCCc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000826229068 607683260 /nfs/dbraw/zinc/68/32/60/607683260.db2.gz NTHSPQGZVROLHG-UHFFFAOYSA-N -1 3 353.451 3.333 20 0 FGADHM CSCCc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000826229068 607683262 /nfs/dbraw/zinc/68/32/62/607683262.db2.gz NTHSPQGZVROLHG-UHFFFAOYSA-N -1 3 353.451 3.333 20 0 FGADHM Cc1cnc(-c2cccc(NC(=O)c3ccc(-c4nnn[n-]4)cc3C)c2)o1 ZINC000826317093 607689251 /nfs/dbraw/zinc/68/92/51/607689251.db2.gz MKKVYKREFXAPLM-UHFFFAOYSA-N -1 3 360.377 3.391 20 0 FGADHM Cc1cnc(-c2cccc(NC(=O)c3ccc(-c4nn[n-]n4)cc3C)c2)o1 ZINC000826317093 607689254 /nfs/dbraw/zinc/68/92/54/607689254.db2.gz MKKVYKREFXAPLM-UHFFFAOYSA-N -1 3 360.377 3.391 20 0 FGADHM O=C([O-])[C@H]1Cc2ccccc2CN1Cc1cnc(-c2ccncc2)s1 ZINC000833193858 604463770 /nfs/dbraw/zinc/46/37/70/604463770.db2.gz MXILWKVOQATRRK-QGZVFWFLSA-N -1 3 351.431 3.217 20 0 FGADHM CCO[C@@H]1C[C@H](NC(=O)c2ccc(-c3nnn[n-]3)cc2C)C12CCCCC2 ZINC000825582991 607695202 /nfs/dbraw/zinc/69/52/02/607695202.db2.gz PYJAJKXCSMDRAK-DLBZAZTESA-N -1 3 369.469 3.033 20 0 FGADHM CCO[C@@H]1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)cc2C)C12CCCCC2 ZINC000825582991 607695204 /nfs/dbraw/zinc/69/52/04/607695204.db2.gz PYJAJKXCSMDRAK-DLBZAZTESA-N -1 3 369.469 3.033 20 0 FGADHM Cc1ccsc1CCCC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826316686 607699628 /nfs/dbraw/zinc/69/96/28/607699628.db2.gz VQPZXBLSZZJDNO-CYBMUJFWSA-N -1 3 355.467 3.437 20 0 FGADHM Cc1ccsc1CCCC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826316686 607699630 /nfs/dbraw/zinc/69/96/30/607699630.db2.gz VQPZXBLSZZJDNO-CYBMUJFWSA-N -1 3 355.467 3.437 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NCC1CCC(C(F)(F)F)CC1 ZINC000826247370 607699099 /nfs/dbraw/zinc/69/90/99/607699099.db2.gz AOCVYDLQNHYGPR-UHFFFAOYSA-N -1 3 367.375 3.274 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NCC1CCC(C(F)(F)F)CC1 ZINC000826247370 607699100 /nfs/dbraw/zinc/69/91/00/607699100.db2.gz AOCVYDLQNHYGPR-UHFFFAOYSA-N -1 3 367.375 3.274 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccc2nc(C3CC3)oc2c1 ZINC000826250093 607702183 /nfs/dbraw/zinc/70/21/83/607702183.db2.gz KRBBNJMRARPGJL-UHFFFAOYSA-N -1 3 360.377 3.446 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccc2nc(C3CC3)oc2c1 ZINC000826250093 607702185 /nfs/dbraw/zinc/70/21/85/607702185.db2.gz KRBBNJMRARPGJL-UHFFFAOYSA-N -1 3 360.377 3.446 20 0 FGADHM CC(C)(C)SCCCC(=O)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000824123291 607826305 /nfs/dbraw/zinc/82/63/05/607826305.db2.gz CCVVZJZDXRZNMG-UHFFFAOYSA-N -1 3 352.435 3.361 20 0 FGADHM CC(C)(C)SCCCC(=O)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000824123291 607826306 /nfs/dbraw/zinc/82/63/06/607826306.db2.gz CCVVZJZDXRZNMG-UHFFFAOYSA-N -1 3 352.435 3.361 20 0 FGADHM CC(C)(C)c1nc(CNC2(c3cccc(-c4nnn[n-]4)c3)CC2)cs1 ZINC000824142874 607704180 /nfs/dbraw/zinc/70/41/80/607704180.db2.gz YXMKENIFGFUVJH-UHFFFAOYSA-N -1 3 354.483 3.400 20 0 FGADHM CC(C)(C)c1nc(CNC2(c3cccc(-c4nn[n-]n4)c3)CC2)cs1 ZINC000824142874 607704182 /nfs/dbraw/zinc/70/41/82/607704182.db2.gz YXMKENIFGFUVJH-UHFFFAOYSA-N -1 3 354.483 3.400 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCc1nc(C(F)(F)F)cs1 ZINC000826252560 607708563 /nfs/dbraw/zinc/70/85/63/607708563.db2.gz HXPBUXKVPAWUQK-UHFFFAOYSA-N -1 3 369.328 3.007 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCc1nc(C(F)(F)F)cs1 ZINC000826252560 607708565 /nfs/dbraw/zinc/70/85/65/607708565.db2.gz HXPBUXKVPAWUQK-UHFFFAOYSA-N -1 3 369.328 3.007 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1cc(C2CCCCC2)nn1C ZINC000826249395 607709659 /nfs/dbraw/zinc/70/96/59/607709659.db2.gz AMZJLHTVPYRUFT-UHFFFAOYSA-N -1 3 365.441 3.209 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1cc(C2CCCCC2)nn1C ZINC000826249395 607709661 /nfs/dbraw/zinc/70/96/61/607709661.db2.gz AMZJLHTVPYRUFT-UHFFFAOYSA-N -1 3 365.441 3.209 20 0 FGADHM CC(C)(C)OC(=O)NC[C@](C)(NCc1ccc(C(=O)[O-])cc1F)C1CC1 ZINC000833439397 604764857 /nfs/dbraw/zinc/76/48/57/604764857.db2.gz SGPDPVZUGACFFT-IBGZPJMESA-N -1 3 366.433 3.307 20 0 FGADHM CC(C)[C@@H](N[C@H](C)C(=O)N1CCC(C(=O)[O-])CC1)c1ccc(Cl)cc1 ZINC000827717326 604834160 /nfs/dbraw/zinc/83/41/60/604834160.db2.gz GMVFVKQMVHCLQP-CXAGYDPISA-N -1 3 366.889 3.338 20 0 FGADHM CCc1ccc([C@H](CNC(=O)c2ccc(C(=O)[O-])c(F)c2)N(C)C)cc1 ZINC000830237746 604914760 /nfs/dbraw/zinc/91/47/60/604914760.db2.gz MFVUWNTXFKDYNG-SFHVURJKSA-N -1 3 358.413 3.119 20 0 FGADHM CC(C)Cc1ccc([C@H](C)N[C@@H](C)C(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC000833495181 604915959 /nfs/dbraw/zinc/91/59/59/604915959.db2.gz WJRGXGBTHGGVEO-HOTGVXAUSA-N -1 3 360.498 3.247 20 0 FGADHM O=C([O-])[C@H](NCc1ccc(COCC(F)(F)F)cc1)c1cccnc1 ZINC000833166277 604989862 /nfs/dbraw/zinc/98/98/62/604989862.db2.gz OGGANJMVCCXKKH-OAHLLOKOSA-N -1 3 354.328 3.076 20 0 FGADHM CC(C)(C)C[C@H](NCC(=O)N1CCC(C(=O)[O-])CC1)c1ccc(F)cc1 ZINC000833424593 605080157 /nfs/dbraw/zinc/08/01/57/605080157.db2.gz QMAAXYOVOWUZBM-KRWDZBQOSA-N -1 3 364.461 3.216 20 0 FGADHM CN1CC[C@@H](NCc2ccc(C(=O)[O-])o2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000833697634 605121306 /nfs/dbraw/zinc/12/13/06/605121306.db2.gz HMGBHOIYCNVMGM-GDBMZVCRSA-N -1 3 352.793 3.305 20 0 FGADHM Cc1cccc([C@H]2CCCCCN2C(=O)c2ccc(-c3nnn[n-]3)[nH]2)c1 ZINC000826297763 607740698 /nfs/dbraw/zinc/74/06/98/607740698.db2.gz QXXKOXREORGREY-QGZVFWFLSA-N -1 3 350.426 3.261 20 0 FGADHM Cc1cccc([C@H]2CCCCCN2C(=O)c2ccc(-c3nn[n-]n3)[nH]2)c1 ZINC000826297763 607740699 /nfs/dbraw/zinc/74/06/99/607740699.db2.gz QXXKOXREORGREY-QGZVFWFLSA-N -1 3 350.426 3.261 20 0 FGADHM C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000824763204 607746263 /nfs/dbraw/zinc/74/62/63/607746263.db2.gz LAYQURCSJSRLES-QWRGUYRKSA-N -1 3 358.833 3.112 20 0 FGADHM C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000824763204 607746264 /nfs/dbraw/zinc/74/62/64/607746264.db2.gz LAYQURCSJSRLES-QWRGUYRKSA-N -1 3 358.833 3.112 20 0 FGADHM O=C([O-])N[C@@H]1CCC[C@H]2CN(Cc3ncc(-c4cccc(F)c4)o3)C[C@@H]21 ZINC000834184067 605451582 /nfs/dbraw/zinc/45/15/82/605451582.db2.gz QMDKODLPOOZZCQ-CWRNSKLLSA-N -1 3 359.401 3.349 20 0 FGADHM C[C@@H]1CC[C@H](NC(=O)NCc2cccc(-c3nnn[n-]3)c2)c2ccccc21 ZINC000824915552 607756941 /nfs/dbraw/zinc/75/69/41/607756941.db2.gz GGPDMHCDLPSOCZ-ACJLOTCBSA-N -1 3 362.437 3.305 20 0 FGADHM C[C@@H]1CC[C@H](NC(=O)NCc2cccc(-c3nn[n-]n3)c2)c2ccccc21 ZINC000824915552 607756942 /nfs/dbraw/zinc/75/69/42/607756942.db2.gz GGPDMHCDLPSOCZ-ACJLOTCBSA-N -1 3 362.437 3.305 20 0 FGADHM CCCN(Cc1nc(-c2ccc(F)cc2)no1)C1CCN(C(=O)[O-])CC1 ZINC000826916070 605476402 /nfs/dbraw/zinc/47/64/02/605476402.db2.gz DNLZLJWPXIPWHH-UHFFFAOYSA-N -1 3 362.405 3.230 20 0 FGADHM CC(C)[C@H](N[C@H](C)C[C@H]1CCCN1C(=O)[O-])c1nc(-c2ccncc2)no1 ZINC000824768783 605496884 /nfs/dbraw/zinc/49/68/84/605496884.db2.gz QIMWDYAWTMPEPX-BMFZPTHFSA-N -1 3 373.457 3.339 20 0 FGADHM CCOC(=O)Nc1ccc(NC(=O)CC(CC)CC)cc1-c1nnn[n-]1 ZINC000825531430 607761008 /nfs/dbraw/zinc/76/10/08/607761008.db2.gz KGZFMDFWIJDSBK-UHFFFAOYSA-N -1 3 360.418 3.200 20 0 FGADHM CCOC(=O)Nc1ccc(NC(=O)CC(CC)CC)cc1-c1nn[n-]n1 ZINC000825531430 607761009 /nfs/dbraw/zinc/76/10/09/607761009.db2.gz KGZFMDFWIJDSBK-UHFFFAOYSA-N -1 3 360.418 3.200 20 0 FGADHM CC(C)C[C@H](C)NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC000824229803 607761421 /nfs/dbraw/zinc/76/14/21/607761421.db2.gz VAVKFOKZVHRNQI-HNNXBMFYSA-N -1 3 358.490 3.469 20 0 FGADHM CC(C)C[C@H](C)NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC000824229803 607761422 /nfs/dbraw/zinc/76/14/22/607761422.db2.gz VAVKFOKZVHRNQI-HNNXBMFYSA-N -1 3 358.490 3.469 20 0 FGADHM CCOC(=O)Nc1ccc(NC(=O)C[C@H]2CC[C@@H](C)C2)cc1-c1nnn[n-]1 ZINC000825532269 607761944 /nfs/dbraw/zinc/76/19/44/607761944.db2.gz QOPMYWRCXVMBNY-NEPJUHHUSA-N -1 3 372.429 3.200 20 0 FGADHM CCOC(=O)Nc1ccc(NC(=O)C[C@H]2CC[C@@H](C)C2)cc1-c1nn[n-]n1 ZINC000825532269 607761945 /nfs/dbraw/zinc/76/19/45/607761945.db2.gz QOPMYWRCXVMBNY-NEPJUHHUSA-N -1 3 372.429 3.200 20 0 FGADHM Cc1nn(Cc2ccccc2)c(C)c1CN1CCC[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000833921026 605598501 /nfs/dbraw/zinc/59/85/01/605598501.db2.gz QABXUBJPOYVRAS-HNAYVOBHSA-N -1 3 370.497 3.416 20 0 FGADHM O=C([O-])Nc1ccc(CN2CCC[C@H](c3cc(C(F)(F)F)n[nH]3)C2)cn1 ZINC000834260646 605621441 /nfs/dbraw/zinc/62/14/41/605621441.db2.gz WBSYHFWPASIDRL-NSHDSACASA-N -1 3 369.347 3.293 20 0 FGADHM O=C(Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)c1cccs1 ZINC000826460326 607769423 /nfs/dbraw/zinc/76/94/23/607769423.db2.gz XTSPSQRYGNADBN-UHFFFAOYSA-N -1 3 354.420 3.304 20 0 FGADHM O=C(Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)c1cccs1 ZINC000826460326 607769424 /nfs/dbraw/zinc/76/94/24/607769424.db2.gz XTSPSQRYGNADBN-UHFFFAOYSA-N -1 3 354.420 3.304 20 0 FGADHM Cc1cc(C(=O)N(CCN(C)C)Cc2cccc(F)c2)ccc1NC(=O)[O-] ZINC000829919084 605687615 /nfs/dbraw/zinc/68/76/15/605687615.db2.gz HAUBYPSUQPCDFW-UHFFFAOYSA-N -1 3 373.428 3.428 20 0 FGADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cccc2ccsc21 ZINC000824738866 607771674 /nfs/dbraw/zinc/77/16/74/607771674.db2.gz SOCBAPMFQRUMJI-NSHDSACASA-N -1 3 365.418 3.487 20 0 FGADHM C[C@H]1CC[C@@H](NC(=O)COc2cccc(-c3nnn[n-]3)c2)c2ccccc21 ZINC000824916633 607771990 /nfs/dbraw/zinc/77/19/90/607771990.db2.gz KUCUWCGZBJMUIG-SCLBCKFNSA-N -1 3 363.421 3.000 20 0 FGADHM C[C@H]1CC[C@@H](NC(=O)COc2cccc(-c3nn[n-]n3)c2)c2ccccc21 ZINC000824916633 607771991 /nfs/dbraw/zinc/77/19/91/607771991.db2.gz KUCUWCGZBJMUIG-SCLBCKFNSA-N -1 3 363.421 3.000 20 0 FGADHM O=C([O-])N[C@H]1C[C@@H](NCc2ccc(N3CCCC3)nc2)c2ccccc21 ZINC000834157779 605791587 /nfs/dbraw/zinc/79/15/87/605791587.db2.gz KCUVVFGRQPYGCN-MSOLQXFVSA-N -1 3 352.438 3.225 20 0 FGADHM C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1Cc1cc(C(=O)[O-])ccc1F ZINC000833597558 605843749 /nfs/dbraw/zinc/84/37/49/605843749.db2.gz SVRRATYXEBJBJV-OLZOCXBDSA-N -1 3 366.433 3.259 20 0 FGADHM O=C([O-])N[C@H]1CCN(CCC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000740592957 605930409 /nfs/dbraw/zinc/93/04/09/605930409.db2.gz DOKORPHOQWOMGR-HNNXBMFYSA-N -1 3 369.421 3.149 20 0 FGADHM CC[C@H]1CN(c2nnc(C)c(C)c2-c2nnn[n-]2)CC[C@@H]1c1ccccc1 ZINC000820994112 606038157 /nfs/dbraw/zinc/03/81/57/606038157.db2.gz DTKUVUNVHDBQJB-RDJZCZTQSA-N -1 3 363.469 3.294 20 0 FGADHM CC[C@H]1CN(c2nnc(C)c(C)c2-c2nn[n-]n2)CC[C@@H]1c1ccccc1 ZINC000820994112 606038160 /nfs/dbraw/zinc/03/81/60/606038160.db2.gz DTKUVUNVHDBQJB-RDJZCZTQSA-N -1 3 363.469 3.294 20 0 FGADHM CCO[C@@H](CCNc1c(-c2nnn[n-]2)cnc2c(C)cccc21)C(C)C ZINC000821351436 606039798 /nfs/dbraw/zinc/03/97/98/606039798.db2.gz PTEWRLLPJFKHPJ-INIZCTEOSA-N -1 3 354.458 3.008 20 0 FGADHM CCO[C@@H](CCNc1c(-c2nn[n-]n2)cnc2c(C)cccc21)C(C)C ZINC000821351436 606039806 /nfs/dbraw/zinc/03/98/06/606039806.db2.gz PTEWRLLPJFKHPJ-INIZCTEOSA-N -1 3 354.458 3.008 20 0 FGADHM C[C@@H](C(=O)N(Cc1ccco1)c1ccccc1-c1nnn[n-]1)c1cccnc1 ZINC000819856345 606051178 /nfs/dbraw/zinc/05/11/78/606051178.db2.gz IXIWNECOWHNSCH-CQSZACIVSA-N -1 3 374.404 3.192 20 0 FGADHM C[C@@H](C(=O)N(Cc1ccco1)c1ccccc1-c1nn[n-]n1)c1cccnc1 ZINC000819856345 606051184 /nfs/dbraw/zinc/05/11/84/606051184.db2.gz IXIWNECOWHNSCH-CQSZACIVSA-N -1 3 374.404 3.192 20 0 FGADHM Cc1noc(C(F)F)c1C(=O)Nc1sc(C)c(C)c1-c1nnn[n-]1 ZINC000822520028 606054710 /nfs/dbraw/zinc/05/47/10/606054710.db2.gz QANBGVYVBKGLHX-UHFFFAOYSA-N -1 3 354.342 3.031 20 0 FGADHM Clc1cccc(OCCNc2ccc(-c3nnn[n-]3)nc2)c1Cl ZINC000822586017 606056336 /nfs/dbraw/zinc/05/63/36/606056336.db2.gz QTAGZQPDHCQRKS-UHFFFAOYSA-N -1 3 351.197 3.059 20 0 FGADHM Clc1cccc(OCCNc2ccc(-c3nn[n-]n3)nc2)c1Cl ZINC000822586017 606056340 /nfs/dbraw/zinc/05/63/40/606056340.db2.gz QTAGZQPDHCQRKS-UHFFFAOYSA-N -1 3 351.197 3.059 20 0 FGADHM Cc1c([C@@H](C)Nc2ccc(-c3nnn[n-]3)nc2)cnn1-c1ccc(F)cc1 ZINC000822020322 606059090 /nfs/dbraw/zinc/05/90/90/606059090.db2.gz AGIXYKAWXMFUNH-LLVKDONJSA-N -1 3 364.388 3.068 20 0 FGADHM Cc1c([C@@H](C)Nc2ccc(-c3nn[n-]n3)nc2)cnn1-c1ccc(F)cc1 ZINC000822020322 606059094 /nfs/dbraw/zinc/05/90/94/606059094.db2.gz AGIXYKAWXMFUNH-LLVKDONJSA-N -1 3 364.388 3.068 20 0 FGADHM c1ccc2nc(NC[C@@H]3CCc4ccccc4N3)c(-c3nnn[n-]3)cc2c1 ZINC000823797167 606070687 /nfs/dbraw/zinc/07/06/87/606070687.db2.gz MGMYGKKRBZUFEU-HNNXBMFYSA-N -1 3 357.421 3.254 20 0 FGADHM c1ccc2nc(NC[C@@H]3CCc4ccccc4N3)c(-c3nn[n-]n3)cc2c1 ZINC000823797167 606070691 /nfs/dbraw/zinc/07/06/91/606070691.db2.gz MGMYGKKRBZUFEU-HNNXBMFYSA-N -1 3 357.421 3.254 20 0 FGADHM CSCc1cc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)ccc1F ZINC000821970676 606107958 /nfs/dbraw/zinc/10/79/58/606107958.db2.gz QMYCMSOSYNRWEM-UHFFFAOYSA-N -1 3 357.414 3.430 20 0 FGADHM CSCc1cc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)ccc1F ZINC000821970676 606107959 /nfs/dbraw/zinc/10/79/59/606107959.db2.gz QMYCMSOSYNRWEM-UHFFFAOYSA-N -1 3 357.414 3.430 20 0 FGADHM CN(Cc1nc(C(F)(F)F)cs1)Cc1ccc(-c2nnn[n-]2)cc1F ZINC000821616905 606111865 /nfs/dbraw/zinc/11/18/65/606111865.db2.gz NFMNEDVGGJNPPB-UHFFFAOYSA-N -1 3 372.351 3.113 20 0 FGADHM CN(Cc1nc(C(F)(F)F)cs1)Cc1ccc(-c2nn[n-]n2)cc1F ZINC000821616905 606111867 /nfs/dbraw/zinc/11/18/67/606111867.db2.gz NFMNEDVGGJNPPB-UHFFFAOYSA-N -1 3 372.351 3.113 20 0 FGADHM CCS[C@@H]1CCCC[C@H]1NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000821455899 606121687 /nfs/dbraw/zinc/12/16/87/606121687.db2.gz MOBGNVSJJWVZRV-BSQDILAGSA-N -1 3 357.483 3.060 20 0 FGADHM CCS[C@@H]1CCCC[C@H]1NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000821455899 606121688 /nfs/dbraw/zinc/12/16/88/606121688.db2.gz MOBGNVSJJWVZRV-BSQDILAGSA-N -1 3 357.483 3.060 20 0 FGADHM COc1ccc([C@@H](C)CC(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000821778096 606126786 /nfs/dbraw/zinc/12/67/86/606126786.db2.gz UAPNRNTUMBBKRI-LBPRGKRZSA-N -1 3 369.400 3.171 20 0 FGADHM COc1ccc([C@@H](C)CC(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000821778096 606126787 /nfs/dbraw/zinc/12/67/87/606126787.db2.gz UAPNRNTUMBBKRI-LBPRGKRZSA-N -1 3 369.400 3.171 20 0 FGADHM O=C(C/C=C/c1cccc(F)c1)OCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000822946133 606149284 /nfs/dbraw/zinc/14/92/84/606149284.db2.gz WAIUVKRPBIRQMM-DUXPYHPUSA-N -1 3 368.368 3.031 20 0 FGADHM O=C(C/C=C\c1cccc(F)c1)OCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000822946134 606149453 /nfs/dbraw/zinc/14/94/53/606149453.db2.gz WAIUVKRPBIRQMM-RQOWECAXSA-N -1 3 368.368 3.031 20 0 FGADHM CC1(C)CCC[C@H]1NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000820589665 606151314 /nfs/dbraw/zinc/15/13/14/606151314.db2.gz JYNWUIZSJOQGQY-GFCCVEGCSA-N -1 3 366.372 3.168 20 0 FGADHM CC1(C)CCC[C@H]1NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000820589665 606151315 /nfs/dbraw/zinc/15/13/15/606151315.db2.gz JYNWUIZSJOQGQY-GFCCVEGCSA-N -1 3 366.372 3.168 20 0 FGADHM CN(Cc1cc2ccccc2o1)C(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000821608623 606167440 /nfs/dbraw/zinc/16/74/40/606167440.db2.gz NYBBKOBJRDHHSS-UHFFFAOYSA-N -1 3 364.434 3.442 20 0 FGADHM CN(Cc1cc2ccccc2o1)C(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000821608623 606167441 /nfs/dbraw/zinc/16/74/41/606167441.db2.gz NYBBKOBJRDHHSS-UHFFFAOYSA-N -1 3 364.434 3.442 20 0 FGADHM CN(C(=O)C/C=C/c1ccc(F)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000821569167 606175580 /nfs/dbraw/zinc/17/55/80/606175580.db2.gz AUZGVVQXCJJBKK-NSCUHMNNSA-N -1 3 355.348 3.211 20 0 FGADHM CN(C(=O)C/C=C/c1ccc(F)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000821569167 606175581 /nfs/dbraw/zinc/17/55/81/606175581.db2.gz AUZGVVQXCJJBKK-NSCUHMNNSA-N -1 3 355.348 3.211 20 0 FGADHM CC[C@H]1CCCCN1C(=O)CS[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820978805 606179442 /nfs/dbraw/zinc/17/94/42/606179442.db2.gz CZSUIAGLQGHMCZ-BBRMVZONSA-N -1 3 359.499 3.452 20 0 FGADHM CC[C@H]1CCCCN1C(=O)CS[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820978805 606179444 /nfs/dbraw/zinc/17/94/44/606179444.db2.gz CZSUIAGLQGHMCZ-BBRMVZONSA-N -1 3 359.499 3.452 20 0 FGADHM O=[S@](Cc1cc(-c2cccs2)on1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000823606187 606181212 /nfs/dbraw/zinc/18/12/12/606181212.db2.gz GEYNFNRSQGJWGV-VWLOTQADSA-N -1 3 371.447 3.032 20 0 FGADHM O=[S@](Cc1cc(-c2cccs2)on1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000823606187 606181214 /nfs/dbraw/zinc/18/12/14/606181214.db2.gz GEYNFNRSQGJWGV-VWLOTQADSA-N -1 3 371.447 3.032 20 0 FGADHM O=C(Nc1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000823375581 606183978 /nfs/dbraw/zinc/18/39/78/606183978.db2.gz AGFQYPNUKBUAGX-NHAGDIPZSA-N -1 3 366.450 3.365 20 0 FGADHM O=C(Nc1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000823375581 606183981 /nfs/dbraw/zinc/18/39/81/606183981.db2.gz AGFQYPNUKBUAGX-NHAGDIPZSA-N -1 3 366.450 3.365 20 0 FGADHM CN(C(=O)c1ccc(OC(C)(C)C)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000821574733 606185105 /nfs/dbraw/zinc/18/51/05/606185105.db2.gz UYLVDENVFYRUNB-UHFFFAOYSA-N -1 3 351.410 3.321 20 0 FGADHM CN(C(=O)c1ccc(OC(C)(C)C)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000821574733 606185107 /nfs/dbraw/zinc/18/51/07/606185107.db2.gz UYLVDENVFYRUNB-UHFFFAOYSA-N -1 3 351.410 3.321 20 0 FGADHM C[C@@H]1Sc2ccccc2N(C(=O)c2ccc(-c3nnn[n-]3)cc2)[C@H]1C ZINC000820821647 606189705 /nfs/dbraw/zinc/18/97/05/606189705.db2.gz UEEMDIVTHKGEPV-RYUDHWBXSA-N -1 3 351.435 3.396 20 0 FGADHM C[C@@H]1Sc2ccccc2N(C(=O)c2ccc(-c3nn[n-]n3)cc2)[C@H]1C ZINC000820821647 606189706 /nfs/dbraw/zinc/18/97/06/606189706.db2.gz UEEMDIVTHKGEPV-RYUDHWBXSA-N -1 3 351.435 3.396 20 0 FGADHM CCN(C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(c1ccccc1)c1ccccc1 ZINC000821154137 606195253 /nfs/dbraw/zinc/19/52/53/606195253.db2.gz KECAYZTUFDXWJF-UHFFFAOYSA-N -1 3 372.432 3.447 20 0 FGADHM CCN(C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(c1ccccc1)c1ccccc1 ZINC000821154137 606195254 /nfs/dbraw/zinc/19/52/54/606195254.db2.gz KECAYZTUFDXWJF-UHFFFAOYSA-N -1 3 372.432 3.447 20 0 FGADHM CCOCCOCc1cccc(NCc2cc(-c3nnn[n-]3)cs2)c1 ZINC000821384521 606213095 /nfs/dbraw/zinc/21/30/95/606213095.db2.gz YOFVQBSYQVCFHR-UHFFFAOYSA-N -1 3 359.455 3.093 20 0 FGADHM CCOCCOCc1cccc(NCc2cc(-c3nn[n-]n3)cs2)c1 ZINC000821384521 606213096 /nfs/dbraw/zinc/21/30/96/606213096.db2.gz YOFVQBSYQVCFHR-UHFFFAOYSA-N -1 3 359.455 3.093 20 0 FGADHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2N1CCSC(C)(C)C1 ZINC000822204430 606230856 /nfs/dbraw/zinc/23/08/56/606230856.db2.gz ORHCIKYNEDRVGC-UHFFFAOYSA-N -1 3 358.446 3.194 20 0 FGADHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2N1CCSC(C)(C)C1 ZINC000822204430 606230858 /nfs/dbraw/zinc/23/08/58/606230858.db2.gz ORHCIKYNEDRVGC-UHFFFAOYSA-N -1 3 358.446 3.194 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)[C@@H]1CCSc2ccccc21 ZINC000823344098 606265660 /nfs/dbraw/zinc/26/56/60/606265660.db2.gz QKIJHJGLJQNYCF-GFCCVEGCSA-N -1 3 355.398 3.224 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)[C@@H]1CCSc2ccccc21 ZINC000823344098 606265661 /nfs/dbraw/zinc/26/56/61/606265661.db2.gz QKIJHJGLJQNYCF-GFCCVEGCSA-N -1 3 355.398 3.224 20 0 FGADHM Cc1ccc(SCC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)c(C)c1 ZINC000822267080 606268896 /nfs/dbraw/zinc/26/88/96/606268896.db2.gz NYZVEUSOJJDXOZ-UHFFFAOYSA-N -1 3 357.414 3.353 20 0 FGADHM Cc1ccc(SCC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)c(C)c1 ZINC000822267080 606268899 /nfs/dbraw/zinc/26/88/99/606268899.db2.gz NYZVEUSOJJDXOZ-UHFFFAOYSA-N -1 3 357.414 3.353 20 0 FGADHM C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820549441 606271596 /nfs/dbraw/zinc/27/15/96/606271596.db2.gz MSPNGRMUWBVXGR-SECBINFHSA-N -1 3 361.764 3.065 20 0 FGADHM C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820549441 606271597 /nfs/dbraw/zinc/27/15/97/606271597.db2.gz MSPNGRMUWBVXGR-SECBINFHSA-N -1 3 361.764 3.065 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000823343993 606273507 /nfs/dbraw/zinc/27/35/07/606273507.db2.gz NHJFBGPEMDNUSJ-BDAKNGLRSA-N -1 3 357.311 3.313 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000823343993 606273509 /nfs/dbraw/zinc/27/35/09/606273509.db2.gz NHJFBGPEMDNUSJ-BDAKNGLRSA-N -1 3 357.311 3.313 20 0 FGADHM C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000820642264 606279241 /nfs/dbraw/zinc/27/92/41/606279241.db2.gz HHLXBYGGNUEEFL-DNVCBOLYSA-N -1 3 361.449 3.204 20 0 FGADHM C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000820642264 606279242 /nfs/dbraw/zinc/27/92/42/606279242.db2.gz HHLXBYGGNUEEFL-DNVCBOLYSA-N -1 3 361.449 3.204 20 0 FGADHM C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000820641902 606279254 /nfs/dbraw/zinc/27/92/54/606279254.db2.gz FIWAJFRJUSHCCC-IHUUNXMQSA-N -1 3 359.433 3.285 20 0 FGADHM C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000820641902 606279255 /nfs/dbraw/zinc/27/92/55/606279255.db2.gz FIWAJFRJUSHCCC-IHUUNXMQSA-N -1 3 359.433 3.285 20 0 FGADHM C[C@@H]1[C@@H](c2ccccc2)CCN1C(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000820643611 606296017 /nfs/dbraw/zinc/29/60/17/606296017.db2.gz XJURGQFGJFNYKA-HIFRSBDPSA-N -1 3 364.478 3.442 20 0 FGADHM C[C@@H]1[C@@H](c2ccccc2)CCN1C(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000820643611 606296018 /nfs/dbraw/zinc/29/60/18/606296018.db2.gz XJURGQFGJFNYKA-HIFRSBDPSA-N -1 3 364.478 3.442 20 0 FGADHM COC(=O)[C@H](N[C@H](C)c1ccc(Cl)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000821640288 606296580 /nfs/dbraw/zinc/29/65/80/606296580.db2.gz FMRJDBRGYKBZGD-BDJLRTHQSA-N -1 3 371.828 3.085 20 0 FGADHM COC(=O)[C@H](N[C@H](C)c1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000821640288 606296581 /nfs/dbraw/zinc/29/65/81/606296581.db2.gz FMRJDBRGYKBZGD-BDJLRTHQSA-N -1 3 371.828 3.085 20 0 FGADHM COC(=O)[C@@H](N[C@@H](C)c1cccc(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000821640793 606298162 /nfs/dbraw/zinc/29/81/62/606298162.db2.gz OUYHFCSYTYOFGI-ZBEGNZNMSA-N -1 3 371.828 3.085 20 0 FGADHM COC(=O)[C@@H](N[C@@H](C)c1cccc(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000821640793 606298164 /nfs/dbraw/zinc/29/81/64/606298164.db2.gz OUYHFCSYTYOFGI-ZBEGNZNMSA-N -1 3 371.828 3.085 20 0 FGADHM C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000820562534 606298711 /nfs/dbraw/zinc/29/87/11/606298711.db2.gz GOUIDQRQRRCMPE-MNOVXSKESA-N -1 3 358.833 3.112 20 0 FGADHM C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000820562534 606298713 /nfs/dbraw/zinc/29/87/13/606298713.db2.gz GOUIDQRQRRCMPE-MNOVXSKESA-N -1 3 358.833 3.112 20 0 FGADHM COC(=O)[C@@H](Nc1cccc(C(C)C)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000821644795 606298822 /nfs/dbraw/zinc/29/88/22/606298822.db2.gz JKAGCASOCTVOAS-KRWDZBQOSA-N -1 3 351.410 3.316 20 0 FGADHM COC(=O)[C@@H](Nc1cccc(C(C)C)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000821644795 606298824 /nfs/dbraw/zinc/29/88/24/606298824.db2.gz JKAGCASOCTVOAS-KRWDZBQOSA-N -1 3 351.410 3.316 20 0 FGADHM COC(=O)[C@H](N[C@H](C)c1ccc(C)c(C)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000821640119 606303027 /nfs/dbraw/zinc/30/30/27/606303027.db2.gz AUMGYUDLLBAMLK-RDTXWAMCSA-N -1 3 365.437 3.048 20 0 FGADHM COC(=O)[C@H](N[C@H](C)c1ccc(C)c(C)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000821640119 606303029 /nfs/dbraw/zinc/30/30/29/606303029.db2.gz AUMGYUDLLBAMLK-RDTXWAMCSA-N -1 3 365.437 3.048 20 0 FGADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)Nc1ccc(OC2CCC2)c(F)c1 ZINC000823078109 606311358 /nfs/dbraw/zinc/31/13/58/606311358.db2.gz GHPPWOIDDRUJBZ-UHFFFAOYSA-N -1 3 367.384 3.118 20 0 FGADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)Nc1ccc(OC2CCC2)c(F)c1 ZINC000823078109 606311360 /nfs/dbraw/zinc/31/13/60/606311360.db2.gz GHPPWOIDDRUJBZ-UHFFFAOYSA-N -1 3 367.384 3.118 20 0 FGADHM CC[C@@H](Oc1ccccc1F)C(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000820939293 606318364 /nfs/dbraw/zinc/31/83/64/606318364.db2.gz SQQFJCSWTIZGKJ-OAHLLOKOSA-N -1 3 355.373 3.110 20 0 FGADHM CC[C@@H](Oc1ccccc1F)C(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000820939293 606318366 /nfs/dbraw/zinc/31/83/66/606318366.db2.gz SQQFJCSWTIZGKJ-OAHLLOKOSA-N -1 3 355.373 3.110 20 0 FGADHM Cc1ccc(OCC(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c(C)c1 ZINC000822263538 606339912 /nfs/dbraw/zinc/33/99/12/606339912.db2.gz RVAPHONLPSPHKG-CQSZACIVSA-N -1 3 352.394 3.167 20 0 FGADHM Cc1ccc(OCC(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c(C)c1 ZINC000822263538 606339914 /nfs/dbraw/zinc/33/99/14/606339914.db2.gz RVAPHONLPSPHKG-CQSZACIVSA-N -1 3 352.394 3.167 20 0 FGADHM C[C@@H](OC(=O)CCCOCc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820497146 606340573 /nfs/dbraw/zinc/34/05/73/606340573.db2.gz QBQDBDXJWPEQIO-OAHLLOKOSA-N -1 3 366.421 3.468 20 0 FGADHM C[C@@H](OC(=O)CCCOCc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820497146 606340575 /nfs/dbraw/zinc/34/05/75/606340575.db2.gz QBQDBDXJWPEQIO-OAHLLOKOSA-N -1 3 366.421 3.468 20 0 FGADHM Cc1cc2c(cc1C)O[C@H](C(=O)O[C@@H](C)c1ccc(-c3nnn[n-]3)cc1)C2 ZINC000822213069 606343226 /nfs/dbraw/zinc/34/32/26/606343226.db2.gz SLHNKKHQBRLTGA-UGSOOPFHSA-N -1 3 364.405 3.091 20 0 FGADHM Cc1cc2c(cc1C)O[C@H](C(=O)O[C@@H](C)c1ccc(-c3nn[n-]n3)cc1)C2 ZINC000822213069 606343227 /nfs/dbraw/zinc/34/32/27/606343227.db2.gz SLHNKKHQBRLTGA-UGSOOPFHSA-N -1 3 364.405 3.091 20 0 FGADHM C[C@@H](OC(=O)[C@@H]1Cc2cc(Cl)ccc2O1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820488090 606348613 /nfs/dbraw/zinc/34/86/13/606348613.db2.gz KXDXZNHKXPHHAM-HWPZZCPQSA-N -1 3 370.796 3.128 20 0 FGADHM C[C@@H](OC(=O)[C@@H]1Cc2cc(Cl)ccc2O1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820488090 606348615 /nfs/dbraw/zinc/34/86/15/606348615.db2.gz KXDXZNHKXPHHAM-HWPZZCPQSA-N -1 3 370.796 3.128 20 0 FGADHM C[C@H](OC(=O)c1cc(Cl)nc(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820508709 606349446 /nfs/dbraw/zinc/34/94/46/606349446.db2.gz VWDNIXHRBQIKQS-QMMMGPOBSA-N -1 3 364.192 3.487 20 0 FGADHM C[C@H](OC(=O)c1cc(Cl)nc(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820508709 606349448 /nfs/dbraw/zinc/34/94/48/606349448.db2.gz VWDNIXHRBQIKQS-QMMMGPOBSA-N -1 3 364.192 3.487 20 0 FGADHM CCc1cccc(OCC(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821492466 606350032 /nfs/dbraw/zinc/35/00/32/606350032.db2.gz NQXQHLDNYJSDMX-ZDUSSCGKSA-N -1 3 352.394 3.112 20 0 FGADHM CCc1cccc(OCC(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821492466 606350033 /nfs/dbraw/zinc/35/00/33/606350033.db2.gz NQXQHLDNYJSDMX-ZDUSSCGKSA-N -1 3 352.394 3.112 20 0 FGADHM Cc1ccc(O[C@H](C)C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822258778 606350491 /nfs/dbraw/zinc/35/04/91/606350491.db2.gz CHZHLTJHFHUHGL-ZIAGYGMSSA-N -1 3 352.394 3.247 20 0 FGADHM Cc1ccc(O[C@H](C)C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822258778 606350492 /nfs/dbraw/zinc/35/04/92/606350492.db2.gz CHZHLTJHFHUHGL-ZIAGYGMSSA-N -1 3 352.394 3.247 20 0 FGADHM CCc1c(C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)[nH]c(C)c1C(C)=O ZINC000821460975 606356695 /nfs/dbraw/zinc/35/66/95/606356695.db2.gz HSUUNCRSCXNQEG-GFCCVEGCSA-N -1 3 367.409 3.186 20 0 FGADHM CCc1c(C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)[nH]c(C)c1C(C)=O ZINC000821460975 606356696 /nfs/dbraw/zinc/35/66/96/606356696.db2.gz HSUUNCRSCXNQEG-GFCCVEGCSA-N -1 3 367.409 3.186 20 0 FGADHM CS[C@@H](C)C(=O)Oc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821949034 606361348 /nfs/dbraw/zinc/36/13/48/606361348.db2.gz FHIXGOLMMORROH-NSHDSACASA-N -1 3 356.407 3.316 20 0 FGADHM CS[C@@H](C)C(=O)Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821949034 606361350 /nfs/dbraw/zinc/36/13/50/606361350.db2.gz FHIXGOLMMORROH-NSHDSACASA-N -1 3 356.407 3.316 20 0 FGADHM O=C(C/C=C\c1ccc(F)cc1)OCc1cc(-c2nnn[n-]2)ccc1F ZINC000822945288 606374698 /nfs/dbraw/zinc/37/46/98/606374698.db2.gz AFYRHVBICZZCIG-UPHRSURJSA-N -1 3 356.332 3.292 20 0 FGADHM O=C(C/C=C\c1ccc(F)cc1)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000822945288 606374699 /nfs/dbraw/zinc/37/46/99/606374699.db2.gz AFYRHVBICZZCIG-UPHRSURJSA-N -1 3 356.332 3.292 20 0 FGADHM CCS[C@H]1CCC[C@@H]1NC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000821456265 606380246 /nfs/dbraw/zinc/38/02/46/606380246.db2.gz OLDMKYPRKURNEN-STQMWFEESA-N -1 3 366.878 3.316 20 0 FGADHM CCS[C@H]1CCC[C@@H]1NC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000821456265 606380248 /nfs/dbraw/zinc/38/02/48/606380248.db2.gz OLDMKYPRKURNEN-STQMWFEESA-N -1 3 366.878 3.316 20 0 FGADHM COc1cccc(C(C)=CC(=O)OCc2ccccc2-c2nnn[n-]2)c1 ZINC000821860269 606392357 /nfs/dbraw/zinc/39/23/57/606392357.db2.gz ZYJXAUOFWFYGOD-RAXLEYEMSA-N -1 3 350.378 3.022 20 0 FGADHM COc1cccc(C(C)=CC(=O)OCc2ccccc2-c2nn[n-]n2)c1 ZINC000821860269 606392358 /nfs/dbraw/zinc/39/23/58/606392358.db2.gz ZYJXAUOFWFYGOD-RAXLEYEMSA-N -1 3 350.378 3.022 20 0 FGADHM Clc1ccc2c(c1Cl)OC[C@H]2NCc1ccc(-c2nnn[n-]2)s1 ZINC000822582526 606424409 /nfs/dbraw/zinc/42/44/09/606424409.db2.gz VUKZFFIJHQOPCB-SNVBAGLBSA-N -1 3 368.249 3.458 20 0 FGADHM Clc1ccc2c(c1Cl)OC[C@H]2NCc1ccc(-c2nn[n-]n2)s1 ZINC000822582526 606424411 /nfs/dbraw/zinc/42/44/11/606424411.db2.gz VUKZFFIJHQOPCB-SNVBAGLBSA-N -1 3 368.249 3.458 20 0 FGADHM CO[C@H](C)c1nc(CNc2ccc(Cl)c(-c3nnn[n-]3)c2)cs1 ZINC000821675765 606429130 /nfs/dbraw/zinc/42/91/30/606429130.db2.gz SRHXWTNUUOGHFA-MRVPVSSYSA-N -1 3 350.835 3.296 20 0 FGADHM CO[C@H](C)c1nc(CNc2ccc(Cl)c(-c3nn[n-]n3)c2)cs1 ZINC000821675765 606429132 /nfs/dbraw/zinc/42/91/32/606429132.db2.gz SRHXWTNUUOGHFA-MRVPVSSYSA-N -1 3 350.835 3.296 20 0 FGADHM Fc1cccc(N2CC[C@@H](OCCCc3ccccc3)C2)c1-c1nnn[n-]1 ZINC000822791655 606429516 /nfs/dbraw/zinc/42/95/16/606429516.db2.gz KKDLWDMJSYPQJD-MRXNPFEDSA-N -1 3 367.428 3.234 20 0 FGADHM Fc1cccc(N2CC[C@@H](OCCCc3ccccc3)C2)c1-c1nn[n-]n1 ZINC000822791655 606429518 /nfs/dbraw/zinc/42/95/18/606429518.db2.gz KKDLWDMJSYPQJD-MRXNPFEDSA-N -1 3 367.428 3.234 20 0 FGADHM C[C@@H](Nc1c(Cl)cccc1-c1nnn[n-]1)c1ccc(-n2cncn2)cc1 ZINC000820451570 606441306 /nfs/dbraw/zinc/44/13/06/606441306.db2.gz VZPBGHUVOVKQEZ-LLVKDONJSA-N -1 3 366.816 3.274 20 0 FGADHM C[C@@H](Nc1c(Cl)cccc1-c1nn[n-]n1)c1ccc(-n2cncn2)cc1 ZINC000820451570 606441308 /nfs/dbraw/zinc/44/13/08/606441308.db2.gz VZPBGHUVOVKQEZ-LLVKDONJSA-N -1 3 366.816 3.274 20 0 FGADHM CC(C)CC(C)(C)CNC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000820051693 606448882 /nfs/dbraw/zinc/44/88/82/606448882.db2.gz SKTNYAUPCRIDCD-UHFFFAOYSA-N -1 3 361.515 3.288 20 0 FGADHM CC(C)CC(C)(C)CNC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000820051693 606448884 /nfs/dbraw/zinc/44/88/84/606448884.db2.gz SKTNYAUPCRIDCD-UHFFFAOYSA-N -1 3 361.515 3.288 20 0 FGADHM CC(C)(C)NC(=O)c1ccccc1NCc1cccc(-c2nnn[n-]2)c1 ZINC000819922733 606449760 /nfs/dbraw/zinc/44/97/60/606449760.db2.gz NYFDFIWBEXINOP-UHFFFAOYSA-N -1 3 350.426 3.007 20 0 FGADHM CC(C)(C)NC(=O)c1ccccc1NCc1cccc(-c2nn[n-]n2)c1 ZINC000819922733 606449762 /nfs/dbraw/zinc/44/97/62/606449762.db2.gz NYFDFIWBEXINOP-UHFFFAOYSA-N -1 3 350.426 3.007 20 0 FGADHM O=C(Oc1ccccc1OCC(F)(F)F)c1cc(-c2nnn[n-]2)cs1 ZINC000823454730 606465859 /nfs/dbraw/zinc/46/58/59/606465859.db2.gz SECYMFVNIKYLMQ-UHFFFAOYSA-N -1 3 370.312 3.089 20 0 FGADHM O=C(Oc1ccccc1OCC(F)(F)F)c1cc(-c2nn[n-]n2)cs1 ZINC000823454730 606465860 /nfs/dbraw/zinc/46/58/60/606465860.db2.gz SECYMFVNIKYLMQ-UHFFFAOYSA-N -1 3 370.312 3.089 20 0 FGADHM CCCC[C@@H](Cc1ccccn1)OC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000821042805 606466947 /nfs/dbraw/zinc/46/69/47/606466947.db2.gz IQMJFSHENXDLBE-AWEZNQCLSA-N -1 3 357.439 3.282 20 0 FGADHM CCCC[C@@H](Cc1ccccn1)OC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000821042805 606466948 /nfs/dbraw/zinc/46/69/48/606466948.db2.gz IQMJFSHENXDLBE-AWEZNQCLSA-N -1 3 357.439 3.282 20 0 FGADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCC2)C1(Cc2ccccc2)CC1 ZINC000823383267 606479326 /nfs/dbraw/zinc/47/93/26/606479326.db2.gz ORBCGVKZLCOUCV-UHFFFAOYSA-N -1 3 365.462 3.378 20 0 FGADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCC2)C1(Cc2ccccc2)CC1 ZINC000823383267 606479327 /nfs/dbraw/zinc/47/93/27/606479327.db2.gz ORBCGVKZLCOUCV-UHFFFAOYSA-N -1 3 365.462 3.378 20 0 FGADHM CC(C)[C@H](NC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC000820025938 606496367 /nfs/dbraw/zinc/49/63/67/606496367.db2.gz FQKPVSDZIKQJKX-SFHVURJKSA-N -1 3 353.401 3.062 20 0 FGADHM CC(C)[C@H](NC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC000820025938 606496368 /nfs/dbraw/zinc/49/63/68/606496368.db2.gz FQKPVSDZIKQJKX-SFHVURJKSA-N -1 3 353.401 3.062 20 0 FGADHM COc1ccc2cc(COC(=O)Cc3cccc(-c4nnn[n-]4)c3)ccc2c1 ZINC000821854670 606501750 /nfs/dbraw/zinc/50/17/50/606501750.db2.gz REDAHCKIPPSRHJ-UHFFFAOYSA-N -1 3 374.400 3.314 20 0 FGADHM COc1ccc2cc(COC(=O)Cc3cccc(-c4nn[n-]n4)c3)ccc2c1 ZINC000821854670 606501751 /nfs/dbraw/zinc/50/17/51/606501751.db2.gz REDAHCKIPPSRHJ-UHFFFAOYSA-N -1 3 374.400 3.314 20 0 FGADHM O=C(N[C@@H]1C[C@H]1c1c(F)cccc1Cl)c1cc(-c2nnn[n-]2)cs1 ZINC000823145288 606516793 /nfs/dbraw/zinc/51/67/93/606516793.db2.gz PZIGRMXUMNKURQ-LDYMZIIASA-N -1 3 363.805 3.007 20 0 FGADHM O=C(N[C@@H]1C[C@H]1c1c(F)cccc1Cl)c1cc(-c2nn[n-]n2)cs1 ZINC000823145288 606516795 /nfs/dbraw/zinc/51/67/95/606516795.db2.gz PZIGRMXUMNKURQ-LDYMZIIASA-N -1 3 363.805 3.007 20 0 FGADHM O=C(Nc1ccc(CC(F)(F)F)cc1)c1cc(-c2nnn[n-]2)cs1 ZINC000823323233 606517074 /nfs/dbraw/zinc/51/70/74/606517074.db2.gz HKSUQQVQYWGXMN-UHFFFAOYSA-N -1 3 353.329 3.285 20 0 FGADHM O=C(Nc1ccc(CC(F)(F)F)cc1)c1cc(-c2nn[n-]n2)cs1 ZINC000823323233 606517075 /nfs/dbraw/zinc/51/70/75/606517075.db2.gz HKSUQQVQYWGXMN-UHFFFAOYSA-N -1 3 353.329 3.285 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N1CCCC[C@H]1Cc1ccccc1 ZINC000823087477 606542874 /nfs/dbraw/zinc/54/28/74/606542874.db2.gz QUIZMMCBJZOLBS-IBGZPJMESA-N -1 3 361.449 3.033 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N1CCCC[C@H]1Cc1ccccc1 ZINC000823087477 606542876 /nfs/dbraw/zinc/54/28/76/606542876.db2.gz QUIZMMCBJZOLBS-IBGZPJMESA-N -1 3 361.449 3.033 20 0 FGADHM O=C(Nc1cc(CCc2ccccc2)ccn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823299287 606545587 /nfs/dbraw/zinc/54/55/87/606545587.db2.gz PVSWZSWNQRKZCN-UHFFFAOYSA-N -1 3 370.416 3.299 20 0 FGADHM O=C(Nc1cc(CCc2ccccc2)ccn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823299287 606545590 /nfs/dbraw/zinc/54/55/90/606545590.db2.gz PVSWZSWNQRKZCN-UHFFFAOYSA-N -1 3 370.416 3.299 20 0 FGADHM CC(C)(C)OCc1ccc(NC(=O)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000819951546 606548285 /nfs/dbraw/zinc/54/82/85/606548285.db2.gz SJVDQHGLUCFIAQ-UHFFFAOYSA-N -1 3 365.437 3.363 20 0 FGADHM CC(C)(C)OCc1ccc(NC(=O)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000819951546 606548287 /nfs/dbraw/zinc/54/82/87/606548287.db2.gz SJVDQHGLUCFIAQ-UHFFFAOYSA-N -1 3 365.437 3.363 20 0 FGADHM C[C@H](C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)C1CCCC1 ZINC000819867573 606548338 /nfs/dbraw/zinc/54/83/38/606548338.db2.gz UCJZMCPBVIREKK-VIFPVBQESA-N -1 3 351.357 3.233 20 0 FGADHM C[C@H](C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)C1CCCC1 ZINC000819867573 606548340 /nfs/dbraw/zinc/54/83/40/606548340.db2.gz UCJZMCPBVIREKK-VIFPVBQESA-N -1 3 351.357 3.233 20 0 FGADHM C[C@H](C(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1)C1CCCC1 ZINC000819857041 606550201 /nfs/dbraw/zinc/55/02/01/606550201.db2.gz OHZVULHEONRJQR-AWEZNQCLSA-N -1 3 369.469 3.063 20 0 FGADHM Cc1cc(C)c(C(=O)[C@@H](C)OC(=O)c2cc(-c3nnn[n-]3)cs2)cc1C ZINC000822192907 606563143 /nfs/dbraw/zinc/56/31/43/606563143.db2.gz FGYDWDMWNFIFIC-GFCCVEGCSA-N -1 3 370.434 3.282 20 0 FGADHM Cc1cc(C)c(C(=O)[C@@H](C)OC(=O)c2cc(-c3nn[n-]n3)cs2)cc1C ZINC000822192907 606563144 /nfs/dbraw/zinc/56/31/44/606563144.db2.gz FGYDWDMWNFIFIC-GFCCVEGCSA-N -1 3 370.434 3.282 20 0 FGADHM CC[C@@H](C)c1ccc(C(=O)COC(=O)c2cc(-c3nnn[n-]3)cs2)cc1 ZINC000820882080 606563959 /nfs/dbraw/zinc/56/39/59/606563959.db2.gz JDDTUNVSNAPSDU-LLVKDONJSA-N -1 3 370.434 3.481 20 0 FGADHM CC[C@@H](C)c1ccc(C(=O)COC(=O)c2cc(-c3nn[n-]n3)cs2)cc1 ZINC000820882080 606563961 /nfs/dbraw/zinc/56/39/61/606563961.db2.gz JDDTUNVSNAPSDU-LLVKDONJSA-N -1 3 370.434 3.481 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1cccc(CC(F)(F)F)c1 ZINC000823109121 606576507 /nfs/dbraw/zinc/57/65/07/606576507.db2.gz YXOHLECVHSVEMS-UHFFFAOYSA-N -1 3 361.327 3.153 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1cccc(CC(F)(F)F)c1 ZINC000823109121 606576509 /nfs/dbraw/zinc/57/65/09/606576509.db2.gz YXOHLECVHSVEMS-UHFFFAOYSA-N -1 3 361.327 3.153 20 0 FGADHM CCC[C@@H]1C[C@H]1NC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000821034999 606577656 /nfs/dbraw/zinc/57/76/56/606577656.db2.gz YGEGBWIMADGUOR-PRHODGIISA-N -1 3 354.336 3.196 20 0 FGADHM CCC[C@@H]1C[C@H]1NC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821034999 606577658 /nfs/dbraw/zinc/57/76/58/606577658.db2.gz YGEGBWIMADGUOR-PRHODGIISA-N -1 3 354.336 3.196 20 0 FGADHM C[C@@H]1CCN(C(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)[C@@H]1C ZINC000820717489 606580547 /nfs/dbraw/zinc/58/05/47/606580547.db2.gz QTHVFQQLYZGCIH-ZIAGYGMSSA-N -1 3 362.437 3.481 20 0 FGADHM CN(C)C(=O)Sc1ccc(COc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821578284 606588910 /nfs/dbraw/zinc/58/89/10/606588910.db2.gz WXELXXJICDASMH-UHFFFAOYSA-N -1 3 355.423 3.219 20 0 FGADHM Cc1cccc([C@@H](NC(=O)c2ccc(-c3nnn[n-]3)cn2)C(C)(C)C)c1 ZINC000822289469 606590468 /nfs/dbraw/zinc/59/04/68/606590468.db2.gz YBHANUUSFLAWFA-MRXNPFEDSA-N -1 3 350.426 3.087 20 0 FGADHM Cc1cccc([C@@H](NC(=O)c2ccc(-c3nn[n-]n3)cn2)C(C)(C)C)c1 ZINC000822289469 606590470 /nfs/dbraw/zinc/59/04/70/606590470.db2.gz YBHANUUSFLAWFA-MRXNPFEDSA-N -1 3 350.426 3.087 20 0 FGADHM COc1ccc(NCc2ccc(-c3nnn[n-]3)cc2OC(F)F)c(C)c1 ZINC000821835703 606597322 /nfs/dbraw/zinc/59/73/22/606597322.db2.gz PWZCVVQNMATJPG-UHFFFAOYSA-N -1 3 361.352 3.397 20 0 FGADHM COc1ccc(NCc2ccc(-c3nn[n-]n3)cc2OC(F)F)c(C)c1 ZINC000821835703 606597324 /nfs/dbraw/zinc/59/73/24/606597324.db2.gz PWZCVVQNMATJPG-UHFFFAOYSA-N -1 3 361.352 3.397 20 0 FGADHM COc1cccc([C@@H](C)CC(=O)OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000821860151 606613268 /nfs/dbraw/zinc/61/32/68/606613268.db2.gz XWQVFDVUZZIYIH-ZDUSSCGKSA-N -1 3 352.394 3.112 20 0 FGADHM COc1cccc([C@@H](C)CC(=O)OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000821860151 606613270 /nfs/dbraw/zinc/61/32/70/606613270.db2.gz XWQVFDVUZZIYIH-ZDUSSCGKSA-N -1 3 352.394 3.112 20 0 FGADHM C[C@@H](C(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)s1 ZINC000819857341 606625706 /nfs/dbraw/zinc/62/57/06/606625706.db2.gz RIQKPKAVNXUSAO-SNVBAGLBSA-N -1 3 361.858 3.344 20 0 FGADHM C[C@@H](C(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)s1 ZINC000819857341 606625707 /nfs/dbraw/zinc/62/57/07/606625707.db2.gz RIQKPKAVNXUSAO-SNVBAGLBSA-N -1 3 361.858 3.344 20 0 FGADHM COc1ccc([C@H](C)CC(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821777151 606626543 /nfs/dbraw/zinc/62/65/43/606626543.db2.gz BDDHXTRILNYGFD-CQSZACIVSA-N -1 3 365.437 3.028 20 0 FGADHM COc1ccc([C@H](C)CC(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821777151 606626545 /nfs/dbraw/zinc/62/65/45/606626545.db2.gz BDDHXTRILNYGFD-CQSZACIVSA-N -1 3 365.437 3.028 20 0 FGADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CCCCC[C@H]1/C=C\c1ccccc1 ZINC000823465974 606626809 /nfs/dbraw/zinc/62/68/09/606626809.db2.gz DHQKPSGMNFVITQ-MQNTZWLQSA-N -1 3 362.437 3.293 20 0 FGADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CCCCC[C@H]1/C=C\c1ccccc1 ZINC000823465974 606626810 /nfs/dbraw/zinc/62/68/10/606626810.db2.gz DHQKPSGMNFVITQ-MQNTZWLQSA-N -1 3 362.437 3.293 20 0 FGADHM Cc1cnc([C@@H](C)NC(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)s1 ZINC000822389473 606632260 /nfs/dbraw/zinc/63/22/60/606632260.db2.gz XVMVVWAEKQPLOS-SNVBAGLBSA-N -1 3 374.474 3.071 20 0 FGADHM Cc1cnc([C@@H](C)NC(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)s1 ZINC000822389473 606632262 /nfs/dbraw/zinc/63/22/62/606632262.db2.gz XVMVVWAEKQPLOS-SNVBAGLBSA-N -1 3 374.474 3.071 20 0 FGADHM c1cc(-c2ccc(-c3nnn[n-]3)cc2)ccc1OCCC1OCCCO1 ZINC000823738000 606638092 /nfs/dbraw/zinc/63/80/92/606638092.db2.gz MQFUVZDEZAJKDO-UHFFFAOYSA-N -1 3 352.394 3.066 20 0 FGADHM c1cc(-c2ccc(-c3nn[n-]n3)cc2)ccc1OCCC1OCCCO1 ZINC000823738000 606638093 /nfs/dbraw/zinc/63/80/93/606638093.db2.gz MQFUVZDEZAJKDO-UHFFFAOYSA-N -1 3 352.394 3.066 20 0 FGADHM C[C@H](NC(=O)N([C@@H](C)c1ccco1)C1CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820340632 606657917 /nfs/dbraw/zinc/65/79/17/606657917.db2.gz MJCGJPJAQYRATD-STQMWFEESA-N -1 3 366.425 3.456 20 0 FGADHM C[C@H](NC(=O)N([C@@H](C)c1ccco1)C1CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820340632 606657918 /nfs/dbraw/zinc/65/79/18/606657918.db2.gz MJCGJPJAQYRATD-STQMWFEESA-N -1 3 366.425 3.456 20 0 FGADHM Cc1cc(Cl)ccc1OC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000822202178 606663820 /nfs/dbraw/zinc/66/38/20/606663820.db2.gz OANRVFVKGDOXPP-UHFFFAOYSA-N -1 3 350.712 3.326 20 0 FGADHM Cc1cc(Cl)ccc1OC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000822202178 606663821 /nfs/dbraw/zinc/66/38/21/606663821.db2.gz OANRVFVKGDOXPP-UHFFFAOYSA-N -1 3 350.712 3.326 20 0 FGADHM O=C([C@@H]1C[C@@H]1Cc1ccccc1)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000822917276 606667113 /nfs/dbraw/zinc/66/71/13/606667113.db2.gz RLYGYXCTEDDPCR-AZUAARDMSA-N -1 3 373.460 3.237 20 0 FGADHM O=C([C@@H]1C[C@@H]1Cc1ccccc1)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000822917276 606667114 /nfs/dbraw/zinc/66/71/14/606667114.db2.gz RLYGYXCTEDDPCR-AZUAARDMSA-N -1 3 373.460 3.237 20 0 FGADHM COc1c(C)ccc(NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c1C ZINC000821698723 606671265 /nfs/dbraw/zinc/67/12/65/606671265.db2.gz WEYCYJJDWUMRPG-UHFFFAOYSA-N -1 3 359.336 3.023 20 0 FGADHM COc1c(C)ccc(NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c1C ZINC000821698723 606671266 /nfs/dbraw/zinc/67/12/66/606671266.db2.gz WEYCYJJDWUMRPG-UHFFFAOYSA-N -1 3 359.336 3.023 20 0 FGADHM C[C@@]1(C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)cc2)CCCO1 ZINC000820577168 606672499 /nfs/dbraw/zinc/67/24/99/606672499.db2.gz LYHWXQCABXOCCD-IBGZPJMESA-N -1 3 365.393 3.167 20 0 FGADHM C[C@@]1(C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)cc2)CCCO1 ZINC000820577168 606672500 /nfs/dbraw/zinc/67/25/00/606672500.db2.gz LYHWXQCABXOCCD-IBGZPJMESA-N -1 3 365.393 3.167 20 0 FGADHM Cc1ccc([C@H]2CCCN2C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)o1 ZINC000822232974 606680482 /nfs/dbraw/zinc/68/04/82/606680482.db2.gz FQFFKMCIWSMHFG-CYBMUJFWSA-N -1 3 359.336 3.024 20 0 FGADHM Cc1ccc([C@H]2CCCN2C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)o1 ZINC000822232974 606680483 /nfs/dbraw/zinc/68/04/83/606680483.db2.gz FQFFKMCIWSMHFG-CYBMUJFWSA-N -1 3 359.336 3.024 20 0 FGADHM C[C@@H]1CCN(C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)[C@@H](c2ccco2)C1 ZINC000820717371 606684157 /nfs/dbraw/zinc/68/41/57/606684157.db2.gz QGBKRVNBYJAYNF-QMTHXVAHSA-N -1 3 373.363 3.351 20 0 FGADHM C[C@@H]1CCN(C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)[C@@H](c2ccco2)C1 ZINC000820717371 606684158 /nfs/dbraw/zinc/68/41/58/606684158.db2.gz QGBKRVNBYJAYNF-QMTHXVAHSA-N -1 3 373.363 3.351 20 0 FGADHM Cc1cc([C@@H](C)NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)ccc1F ZINC000822191775 606686127 /nfs/dbraw/zinc/68/61/27/606686127.db2.gz QDXSBWIYTBMJCE-SECBINFHSA-N -1 3 361.327 3.083 20 0 FGADHM Cc1cc([C@@H](C)NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)ccc1F ZINC000822191775 606686128 /nfs/dbraw/zinc/68/61/28/606686128.db2.gz QDXSBWIYTBMJCE-SECBINFHSA-N -1 3 361.327 3.083 20 0 FGADHM CC(C)Sc1ccccc1NCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000820183979 606708044 /nfs/dbraw/zinc/70/80/44/606708044.db2.gz QLOCKQVOCZRUGM-UHFFFAOYSA-N -1 3 368.466 3.418 20 0 FGADHM CC(C)Sc1ccccc1NCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000820183979 606708046 /nfs/dbraw/zinc/70/80/46/606708046.db2.gz QLOCKQVOCZRUGM-UHFFFAOYSA-N -1 3 368.466 3.418 20 0 FGADHM CC1(C)C[C@@H](NC(=O)Nc2ccc(-c3nnn[n-]3)cc2)c2ccccc2O1 ZINC000820589528 606722491 /nfs/dbraw/zinc/72/24/91/606722491.db2.gz HKYCYXGZWMVLPI-OAHLLOKOSA-N -1 3 364.409 3.291 20 0 FGADHM CC1(C)C[C@@H](NC(=O)Nc2ccc(-c3nn[n-]n3)cc2)c2ccccc2O1 ZINC000820589528 606722493 /nfs/dbraw/zinc/72/24/93/606722493.db2.gz HKYCYXGZWMVLPI-OAHLLOKOSA-N -1 3 364.409 3.291 20 0 FGADHM Clc1ccc(NCCOc2ncccc2Cl)c(-c2nnn[n-]2)c1 ZINC000822578874 606722921 /nfs/dbraw/zinc/72/29/21/606722921.db2.gz SAOUTMSYWWVCOG-UHFFFAOYSA-N -1 3 351.197 3.059 20 0 FGADHM Clc1ccc(NCCOc2ncccc2Cl)c(-c2nn[n-]n2)c1 ZINC000822578874 606722923 /nfs/dbraw/zinc/72/29/23/606722923.db2.gz SAOUTMSYWWVCOG-UHFFFAOYSA-N -1 3 351.197 3.059 20 0 FGADHM Cc1ccc(CNc2ncccc2-c2nnn[n-]2)c(OCC(F)(F)F)c1 ZINC000822238334 606726463 /nfs/dbraw/zinc/72/64/63/606726463.db2.gz CPDCQCZXCPLKHC-UHFFFAOYSA-N -1 3 364.331 3.123 20 0 FGADHM Cc1ccc(CNc2ncccc2-c2nn[n-]n2)c(OCC(F)(F)F)c1 ZINC000822238334 606726464 /nfs/dbraw/zinc/72/64/64/606726464.db2.gz CPDCQCZXCPLKHC-UHFFFAOYSA-N -1 3 364.331 3.123 20 0 FGADHM CCC(CC)(CC)C(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000820882058 606730884 /nfs/dbraw/zinc/73/08/84/606730884.db2.gz IUTGXPYTGWSNIH-UHFFFAOYSA-N -1 3 371.485 3.453 20 0 FGADHM O=C(OCc1ccc(F)cc1Cl)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823426235 606759895 /nfs/dbraw/zinc/75/98/95/606759895.db2.gz DYTVRAFGLKRDEU-UHFFFAOYSA-N -1 3 368.702 3.294 20 0 FGADHM O=C(OCc1ccc(F)cc1Cl)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823426235 606759897 /nfs/dbraw/zinc/75/98/97/606759897.db2.gz DYTVRAFGLKRDEU-UHFFFAOYSA-N -1 3 368.702 3.294 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)NC2CC(C)C2)cc1 ZINC000822137500 606798142 /nfs/dbraw/zinc/79/81/42/606798142.db2.gz VBYIALSWXVXCNQ-UHFFFAOYSA-N -1 3 363.421 3.496 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)NC2CC(C)C2)cc1 ZINC000822137500 606798144 /nfs/dbraw/zinc/79/81/44/606798144.db2.gz VBYIALSWXVXCNQ-UHFFFAOYSA-N -1 3 363.421 3.496 20 0 FGADHM CCOc1cc(C)ccc1CNc1nc2c(cc1-c1nnn[n-]1)CCC2 ZINC000821394620 606800911 /nfs/dbraw/zinc/80/09/11/606800911.db2.gz MWTCBYIMRCQYCE-UHFFFAOYSA-N -1 3 350.426 3.070 20 0 FGADHM CCOc1cc(C)ccc1CNc1nc2c(cc1-c1nn[n-]n1)CCC2 ZINC000821394620 606800913 /nfs/dbraw/zinc/80/09/13/606800913.db2.gz MWTCBYIMRCQYCE-UHFFFAOYSA-N -1 3 350.426 3.070 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cccc(C(C)C)n1 ZINC000821123228 606806846 /nfs/dbraw/zinc/80/68/46/606806846.db2.gz NGAUXHMVRXDMQM-UHFFFAOYSA-N -1 3 365.441 3.459 20 0 FGADHM CC(=O)c1ccc(Cl)c(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)c1 ZINC000819835309 606811996 /nfs/dbraw/zinc/81/19/96/606811996.db2.gz VPFUMSMCYQWKLF-CLFYSBASSA-N -1 3 367.796 3.375 20 0 FGADHM CC(=O)c1ccc(Cl)c(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)c1 ZINC000819835309 606811998 /nfs/dbraw/zinc/81/19/98/606811998.db2.gz VPFUMSMCYQWKLF-CLFYSBASSA-N -1 3 367.796 3.375 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)c1cc(F)cc(Cl)c1 ZINC000821390226 606839753 /nfs/dbraw/zinc/83/97/53/606839753.db2.gz UQKVBUHGZPSMRZ-UHFFFAOYSA-N -1 3 362.748 3.277 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)c1cc(F)cc(Cl)c1 ZINC000821390226 606839754 /nfs/dbraw/zinc/83/97/54/606839754.db2.gz UQKVBUHGZPSMRZ-UHFFFAOYSA-N -1 3 362.748 3.277 20 0 FGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1Cl)c1ccc2c(c1)OCO2 ZINC000823065755 606852208 /nfs/dbraw/zinc/85/22/08/606852208.db2.gz BEFFBVBYKTYEBG-UHFFFAOYSA-N -1 3 374.809 3.224 20 0 FGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1Cl)c1ccc2c(c1)OCO2 ZINC000823065755 606852210 /nfs/dbraw/zinc/85/22/10/606852210.db2.gz BEFFBVBYKTYEBG-UHFFFAOYSA-N -1 3 374.809 3.224 20 0 FGADHM O=C1[C@@H](Sc2ccc(-c3nnn[n-]3)cc2Cl)CCN1c1ccccc1 ZINC000823511904 606854627 /nfs/dbraw/zinc/85/46/27/606854627.db2.gz ISYDRYVCMNWCMR-HNNXBMFYSA-N -1 3 371.853 3.418 20 0 FGADHM O=C1[C@@H](Sc2ccc(-c3nn[n-]n3)cc2Cl)CCN1c1ccccc1 ZINC000823511904 606854628 /nfs/dbraw/zinc/85/46/28/606854628.db2.gz ISYDRYVCMNWCMR-HNNXBMFYSA-N -1 3 371.853 3.418 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)C1(Cc2ccccc2)CCC1 ZINC000823333119 606864619 /nfs/dbraw/zinc/86/46/19/606864619.db2.gz XRZZEEKZIAUHAT-UHFFFAOYSA-N -1 3 351.385 3.357 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)C1(Cc2ccccc2)CCC1 ZINC000823333119 606864620 /nfs/dbraw/zinc/86/46/20/606864620.db2.gz XRZZEEKZIAUHAT-UHFFFAOYSA-N -1 3 351.385 3.357 20 0 FGADHM CC(C)C[C@@H]1CCCCN1C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000820061914 606869326 /nfs/dbraw/zinc/86/93/26/606869326.db2.gz HGVMAALHAJJTEE-HNNXBMFYSA-N -1 3 360.437 3.116 20 0 FGADHM CC(C)C[C@@H]1CCCCN1C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000820061914 606869327 /nfs/dbraw/zinc/86/93/27/606869327.db2.gz HGVMAALHAJJTEE-HNNXBMFYSA-N -1 3 360.437 3.116 20 0 FGADHM C[C@H](NC(=O)N1[C@H](C)C[C@H]2CCCC[C@H]21)c1cccc(-c2nnn[n-]2)c1 ZINC000820341309 606870168 /nfs/dbraw/zinc/87/01/68/606870168.db2.gz PUDBWQRPVSJECG-IARIHHJXSA-N -1 3 354.458 3.290 20 0 FGADHM C[C@H](NC(=O)N1[C@H](C)C[C@H]2CCCC[C@H]21)c1cccc(-c2nn[n-]n2)c1 ZINC000820341309 606870170 /nfs/dbraw/zinc/87/01/70/606870170.db2.gz PUDBWQRPVSJECG-IARIHHJXSA-N -1 3 354.458 3.290 20 0 FGADHM O=C(Nc1cc(F)ccc1Br)c1cccc(-c2nnn[n-]2)c1 ZINC000823299148 606875027 /nfs/dbraw/zinc/87/50/27/606875027.db2.gz JTCCJCXQWHWICS-UHFFFAOYSA-N -1 3 362.162 3.021 20 0 FGADHM O=C(Nc1cc(F)ccc1Br)c1cccc(-c2nn[n-]n2)c1 ZINC000823299148 606875029 /nfs/dbraw/zinc/87/50/29/606875029.db2.gz JTCCJCXQWHWICS-UHFFFAOYSA-N -1 3 362.162 3.021 20 0 FGADHM c1csc([C@H]2CCCCN2CCCOc2cccc(-c3nn[n-]n3)c2)n1 ZINC000823761931 606892597 /nfs/dbraw/zinc/89/25/97/606892597.db2.gz ARJVWKSLDSJVKX-MRXNPFEDSA-N -1 3 370.482 3.319 20 0 FGADHM CCS[C@@H]1CC[C@H](N(C)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000821446472 606905762 /nfs/dbraw/zinc/90/57/62/606905762.db2.gz AUWGKBBAVRJSGS-NWDGAFQWSA-N -1 3 364.450 3.144 20 0 FGADHM CCS[C@@H]1CC[C@H](N(C)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000821446472 606905764 /nfs/dbraw/zinc/90/57/64/606905764.db2.gz AUWGKBBAVRJSGS-NWDGAFQWSA-N -1 3 364.450 3.144 20 0 FGADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)Nc1cc(Cl)ccc1NC1CC1 ZINC000823077803 606908689 /nfs/dbraw/zinc/90/86/89/606908689.db2.gz AXUFCYWSBGSMOO-UHFFFAOYSA-N -1 3 368.828 3.276 20 0 FGADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)Nc1cc(Cl)ccc1NC1CC1 ZINC000823077803 606908691 /nfs/dbraw/zinc/90/86/91/606908691.db2.gz AXUFCYWSBGSMOO-UHFFFAOYSA-N -1 3 368.828 3.276 20 0 FGADHM CCc1nnc(NCc2ccc([C@@H]3C[C@H]3C)o2)c(-c2nnn[n-]2)c1CC ZINC000821542237 606922583 /nfs/dbraw/zinc/92/25/83/606922583.db2.gz LYZUIKJGHUNGFX-ZWNOBZJWSA-N -1 3 353.430 3.110 20 0 FGADHM CCc1nnc(NCc2ccc([C@@H]3C[C@H]3C)o2)c(-c2nn[n-]n2)c1CC ZINC000821542237 606922585 /nfs/dbraw/zinc/92/25/85/606922585.db2.gz LYZUIKJGHUNGFX-ZWNOBZJWSA-N -1 3 353.430 3.110 20 0 FGADHM CCc1nnc(NCc2cc(Cl)ccc2OC)c(-c2nnn[n-]2)c1CC ZINC000821542084 606922754 /nfs/dbraw/zinc/92/27/54/606922754.db2.gz INHKONACINQGQU-UHFFFAOYSA-N -1 3 373.848 3.056 20 0 FGADHM CCc1nnc(NCc2cc(Cl)ccc2OC)c(-c2nn[n-]n2)c1CC ZINC000821542084 606922756 /nfs/dbraw/zinc/92/27/56/606922756.db2.gz INHKONACINQGQU-UHFFFAOYSA-N -1 3 373.848 3.056 20 0 FGADHM C[C@H](COCC(F)(F)F)Nc1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000820287752 606923733 /nfs/dbraw/zinc/92/37/33/606923733.db2.gz PPFSBHPVHNAHER-SSDOTTSWSA-N -1 3 369.269 3.265 20 0 FGADHM C[C@H](COCC(F)(F)F)Nc1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000820287752 606923734 /nfs/dbraw/zinc/92/37/34/606923734.db2.gz PPFSBHPVHNAHER-SSDOTTSWSA-N -1 3 369.269 3.265 20 0 FGADHM C[C@H](OC(=O)c1ccn(C2CCCC2)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820512671 606924447 /nfs/dbraw/zinc/92/44/47/606924447.db2.gz MVGULVJKWPSVND-LBPRGKRZSA-N -1 3 352.398 3.096 20 0 FGADHM C[C@H](OC(=O)c1ccn(C2CCCC2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820512671 606924449 /nfs/dbraw/zinc/92/44/49/606924449.db2.gz MVGULVJKWPSVND-LBPRGKRZSA-N -1 3 352.398 3.096 20 0 FGADHM O[C@H](CN(Cc1ccco1)c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823675154 606925128 /nfs/dbraw/zinc/92/51/28/606925128.db2.gz VGHOHJLWZHZVEO-LJQANCHMSA-N -1 3 361.405 3.200 20 0 FGADHM O[C@H](CN(Cc1ccco1)c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823675154 606925130 /nfs/dbraw/zinc/92/51/30/606925130.db2.gz VGHOHJLWZHZVEO-LJQANCHMSA-N -1 3 361.405 3.200 20 0 FGADHM Cc1ccc(C)c(N(C[C@H](O)c2ccc(-c3nnn[n-]3)cc2)C(C)C)c1 ZINC000822232180 606925132 /nfs/dbraw/zinc/92/51/32/606925132.db2.gz WAOCNYLHKFBQDP-IBGZPJMESA-N -1 3 351.454 3.432 20 0 FGADHM Cc1ccc(C)c(N(C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)C(C)C)c1 ZINC000822232180 606925135 /nfs/dbraw/zinc/92/51/35/606925135.db2.gz WAOCNYLHKFBQDP-IBGZPJMESA-N -1 3 351.454 3.432 20 0 FGADHM CC(C)[C@H](C)OC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000820015292 606925984 /nfs/dbraw/zinc/92/59/84/606925984.db2.gz CVDHWKWOMREPDW-LBPRGKRZSA-N -1 3 356.382 3.240 20 0 FGADHM CC(C)[C@H](C)OC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000820015292 606925985 /nfs/dbraw/zinc/92/59/85/606925985.db2.gz CVDHWKWOMREPDW-LBPRGKRZSA-N -1 3 356.382 3.240 20 0 FGADHM CC(C)(C)NC(=O)c1ccccc1NCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000819923069 606926889 /nfs/dbraw/zinc/92/68/89/606926889.db2.gz UXVNPWTWAUSWAI-UHFFFAOYSA-N -1 3 368.416 3.146 20 0 FGADHM CC(C)(C)NC(=O)c1ccccc1NCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000819923069 606926891 /nfs/dbraw/zinc/92/68/91/606926891.db2.gz UXVNPWTWAUSWAI-UHFFFAOYSA-N -1 3 368.416 3.146 20 0 FGADHM FC(F)(F)c1ccc(N2CCCC3(CCOCC3)C2)c(-c2nnn[n-]2)c1 ZINC000822723962 606939278 /nfs/dbraw/zinc/93/92/78/606939278.db2.gz UUMGRULDRNMYEK-UHFFFAOYSA-N -1 3 367.375 3.283 20 0 FGADHM FC(F)(F)c1ccc(N2CCCC3(CCOCC3)C2)c(-c2nn[n-]n2)c1 ZINC000822723962 606939280 /nfs/dbraw/zinc/93/92/80/606939280.db2.gz UUMGRULDRNMYEK-UHFFFAOYSA-N -1 3 367.375 3.283 20 0 FGADHM CCc1cc(Sc2cccc(-c3nnn[n-]3)c2)nc(-c2ccccn2)n1 ZINC000821475914 606944325 /nfs/dbraw/zinc/94/43/25/606944325.db2.gz CTWOYLWTLGIGJT-UHFFFAOYSA-N -1 3 361.434 3.432 20 0 FGADHM CCc1cc(Sc2cccc(-c3nn[n-]n3)c2)nc(-c2ccccn2)n1 ZINC000821475914 606944326 /nfs/dbraw/zinc/94/43/26/606944326.db2.gz CTWOYLWTLGIGJT-UHFFFAOYSA-N -1 3 361.434 3.432 20 0 FGADHM Fc1ccc(CN2CCO[C@@H](c3ccc(Cl)cc3)C2)cc1-c1nnn[n-]1 ZINC000822771963 606964529 /nfs/dbraw/zinc/96/45/29/606964529.db2.gz NDGXLZPJJGXJJE-QGZVFWFLSA-N -1 3 373.819 3.233 20 0 FGADHM Fc1ccc(CN2CCO[C@@H](c3ccc(Cl)cc3)C2)cc1-c1nn[n-]n1 ZINC000822771963 606964530 /nfs/dbraw/zinc/96/45/30/606964530.db2.gz NDGXLZPJJGXJJE-QGZVFWFLSA-N -1 3 373.819 3.233 20 0 FGADHM Cc1nc(Cl)sc1C(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000822449661 606965521 /nfs/dbraw/zinc/96/55/21/606965521.db2.gz JASFCIBHGODNDL-UHFFFAOYSA-N -1 3 369.237 3.215 20 0 FGADHM Cc1nc(Cl)sc1C(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000822449661 606965522 /nfs/dbraw/zinc/96/55/22/606965522.db2.gz JASFCIBHGODNDL-UHFFFAOYSA-N -1 3 369.237 3.215 20 0 FGADHM Cc1cc(C(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)c(F)cc1F ZINC000822169072 606965626 /nfs/dbraw/zinc/96/56/26/606965626.db2.gz YDAXHMMTBGGIPD-UHFFFAOYSA-N -1 3 363.755 3.383 20 0 FGADHM Cc1cc(C(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)c(F)cc1F ZINC000822169072 606965627 /nfs/dbraw/zinc/96/56/27/606965627.db2.gz YDAXHMMTBGGIPD-UHFFFAOYSA-N -1 3 363.755 3.383 20 0 FGADHM Cc1ccc(-c2nc(C(=O)N(C)c3ccccc3-c3nnn[n-]3)cs2)o1 ZINC000822214195 606973581 /nfs/dbraw/zinc/97/35/81/606973581.db2.gz UARYCDMKZRZPRU-UHFFFAOYSA-N -1 3 366.406 3.168 20 0 FGADHM Cc1ccc(-c2nc(C(=O)N(C)c3ccccc3-c3nn[n-]n3)cs2)o1 ZINC000822214195 606973584 /nfs/dbraw/zinc/97/35/84/606973584.db2.gz UARYCDMKZRZPRU-UHFFFAOYSA-N -1 3 366.406 3.168 20 0 FGADHM Cc1cc(Cl)ccc1O[C@H](C)C(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC000822201944 606973638 /nfs/dbraw/zinc/97/36/38/606973638.db2.gz CRSYHNTXJCSMFO-GFCCVEGCSA-N -1 3 371.828 3.259 20 0 FGADHM Cc1cc(Cl)ccc1O[C@H](C)C(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC000822201944 606973639 /nfs/dbraw/zinc/97/36/39/606973639.db2.gz CRSYHNTXJCSMFO-GFCCVEGCSA-N -1 3 371.828 3.259 20 0 FGADHM CSc1ccc(OC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821984334 606985904 /nfs/dbraw/zinc/98/59/04/606985904.db2.gz NBAMMCGYOWWNEN-UHFFFAOYSA-N -1 3 370.434 3.352 20 0 FGADHM CSc1ccc(OC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821984334 606985906 /nfs/dbraw/zinc/98/59/06/606985906.db2.gz NBAMMCGYOWWNEN-UHFFFAOYSA-N -1 3 370.434 3.352 20 0 FGADHM Cc1ccc2cc(C(=O)OCc3ccc(F)c(-c4nnn[n-]4)c3)[nH]c2c1 ZINC000822280403 606989033 /nfs/dbraw/zinc/98/90/33/606989033.db2.gz MIQCTQRFLVJHOH-UHFFFAOYSA-N -1 3 351.341 3.153 20 0 FGADHM Cc1ccc2cc(C(=O)OCc3ccc(F)c(-c4nn[n-]n4)c3)[nH]c2c1 ZINC000822280403 606989034 /nfs/dbraw/zinc/98/90/34/606989034.db2.gz MIQCTQRFLVJHOH-UHFFFAOYSA-N -1 3 351.341 3.153 20 0 FGADHM Cc1ccc2[nH]c(C(=O)OCc3ccc(F)c(-c4nnn[n-]4)c3)cc2c1 ZINC000822271155 606991918 /nfs/dbraw/zinc/99/19/18/606991918.db2.gz OLIAMVUPRXJCAG-UHFFFAOYSA-N -1 3 351.341 3.153 20 0 FGADHM Cc1ccc2[nH]c(C(=O)OCc3ccc(F)c(-c4nn[n-]n4)c3)cc2c1 ZINC000822271155 606991919 /nfs/dbraw/zinc/99/19/19/606991919.db2.gz OLIAMVUPRXJCAG-UHFFFAOYSA-N -1 3 351.341 3.153 20 0 FGADHM O=C(CCCOc1ccc(F)cc1)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822959072 606993738 /nfs/dbraw/zinc/99/37/38/606993738.db2.gz QDALLVCDNHMKCC-UHFFFAOYSA-N -1 3 374.347 3.047 20 0 FGADHM O=C(CCCOc1ccc(F)cc1)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822959072 606993739 /nfs/dbraw/zinc/99/37/39/606993739.db2.gz QDALLVCDNHMKCC-UHFFFAOYSA-N -1 3 374.347 3.047 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)c1cc(F)c(F)cc1Cl ZINC000823421986 606994368 /nfs/dbraw/zinc/99/43/68/606994368.db2.gz LZNFUVKWBAXCCT-UHFFFAOYSA-N -1 3 368.702 3.294 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)c1cc(F)c(F)cc1Cl ZINC000823421986 606994369 /nfs/dbraw/zinc/99/43/69/606994369.db2.gz LZNFUVKWBAXCCT-UHFFFAOYSA-N -1 3 368.702 3.294 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)c1[nH]c2ccccc2c1Cl ZINC000823422594 606995994 /nfs/dbraw/zinc/99/59/94/606995994.db2.gz XMJNKOILTVWCMR-UHFFFAOYSA-N -1 3 371.759 3.498 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)c1[nH]c2ccccc2c1Cl ZINC000823422594 606995995 /nfs/dbraw/zinc/99/59/95/606995995.db2.gz XMJNKOILTVWCMR-UHFFFAOYSA-N -1 3 371.759 3.498 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000823422337 607000981 /nfs/dbraw/zinc/00/09/81/607000981.db2.gz QYICBWLIPCVRLE-GHMZBOCLSA-N -1 3 374.322 3.131 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000823422337 607000983 /nfs/dbraw/zinc/00/09/83/607000983.db2.gz QYICBWLIPCVRLE-GHMZBOCLSA-N -1 3 374.322 3.131 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1OC1CCC1 ZINC000823426216 607001063 /nfs/dbraw/zinc/00/10/63/607001063.db2.gz DHGUSHCALVOMII-UHFFFAOYSA-N -1 3 368.368 3.294 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1OC1CCC1 ZINC000823426216 607001064 /nfs/dbraw/zinc/00/10/64/607001064.db2.gz DHGUSHCALVOMII-UHFFFAOYSA-N -1 3 368.368 3.294 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)c1cc2cccc(F)c2o1 ZINC000823426429 607002743 /nfs/dbraw/zinc/00/27/43/607002743.db2.gz IEJRLSKGZJXCRI-UHFFFAOYSA-N -1 3 356.288 3.248 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)c1cc2cccc(F)c2o1 ZINC000823426429 607002745 /nfs/dbraw/zinc/00/27/45/607002745.db2.gz IEJRLSKGZJXCRI-UHFFFAOYSA-N -1 3 356.288 3.248 20 0 FGADHM O=C(C/C=C\c1cccc(F)c1)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822945573 607002789 /nfs/dbraw/zinc/00/27/89/607002789.db2.gz KGXUBOKKIMMGQH-RQOWECAXSA-N -1 3 356.332 3.292 20 0 FGADHM O=C(C/C=C\c1cccc(F)c1)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822945573 607002791 /nfs/dbraw/zinc/00/27/91/607002791.db2.gz KGXUBOKKIMMGQH-RQOWECAXSA-N -1 3 356.332 3.292 20 0 FGADHM FC(F)(F)[C@@H](Cc1ccccc1)NCc1cc(-c2nnn[n-]2)cs1 ZINC000822714060 607008453 /nfs/dbraw/zinc/00/84/53/607008453.db2.gz FDFDWHNPSYKISO-CYBMUJFWSA-N -1 3 353.373 3.191 20 0 FGADHM FC(F)(F)[C@@H](Cc1ccccc1)NCc1cc(-c2nn[n-]n2)cs1 ZINC000822714060 607008454 /nfs/dbraw/zinc/00/84/54/607008454.db2.gz FDFDWHNPSYKISO-CYBMUJFWSA-N -1 3 353.373 3.191 20 0 FGADHM Fc1ccc(CSc2ncccc2Br)cc1-c1nnn[n-]1 ZINC000822774495 607010813 /nfs/dbraw/zinc/01/08/13/607010813.db2.gz KLUXRFNSUSKOLD-UHFFFAOYSA-N -1 3 366.219 3.456 20 0 FGADHM Fc1ccc(CSc2ncccc2Br)cc1-c1nn[n-]n1 ZINC000822774495 607010815 /nfs/dbraw/zinc/01/08/15/607010815.db2.gz KLUXRFNSUSKOLD-UHFFFAOYSA-N -1 3 366.219 3.456 20 0 FGADHM O=c1[nH]c(CSc2cccc(-c3nnn[n-]3)c2)nc2ccc(Cl)cc12 ZINC000823657466 607011078 /nfs/dbraw/zinc/01/10/78/607011078.db2.gz PJRNOWRBBRMJKX-UHFFFAOYSA-N -1 3 370.825 3.461 20 0 FGADHM O=c1[nH]c(CSc2cccc(-c3nn[n-]n3)c2)nc2ccc(Cl)cc12 ZINC000823657466 607011080 /nfs/dbraw/zinc/01/10/80/607011080.db2.gz PJRNOWRBBRMJKX-UHFFFAOYSA-N -1 3 370.825 3.461 20 0 FGADHM CCN(Cc1ccccc1)C(=O)CSc1cccc(-c2nnn[n-]2)c1 ZINC000821221599 607016790 /nfs/dbraw/zinc/01/67/90/607016790.db2.gz KJIFMADGAVKTJC-UHFFFAOYSA-N -1 3 353.451 3.008 20 0 FGADHM CCN(Cc1ccccc1)C(=O)CSc1cccc(-c2nn[n-]n2)c1 ZINC000821221599 607016792 /nfs/dbraw/zinc/01/67/92/607016792.db2.gz KJIFMADGAVKTJC-UHFFFAOYSA-N -1 3 353.451 3.008 20 0 FGADHM O=C(CSc1cccc(-c2nnn[n-]2)c1)N[C@H]1CCCc2ccccc21 ZINC000823070814 607017651 /nfs/dbraw/zinc/01/76/51/607017651.db2.gz PJWDLSIKKPIQTL-KRWDZBQOSA-N -1 3 365.462 3.153 20 0 FGADHM O=C(CSc1cccc(-c2nn[n-]n2)c1)N[C@H]1CCCc2ccccc21 ZINC000823070814 607017654 /nfs/dbraw/zinc/01/76/54/607017654.db2.gz PJWDLSIKKPIQTL-KRWDZBQOSA-N -1 3 365.462 3.153 20 0 FGADHM COc1ccc(CNc2c(-c3nnn[n-]3)cnc3ccccc32)cc1Cl ZINC000821821488 607037642 /nfs/dbraw/zinc/03/76/42/607037642.db2.gz HZXIOMXBRQILBE-UHFFFAOYSA-N -1 3 366.812 3.111 20 0 FGADHM COc1ccc(CNc2c(-c3nn[n-]n3)cnc3ccccc32)cc1Cl ZINC000821821488 607037644 /nfs/dbraw/zinc/03/76/44/607037644.db2.gz HZXIOMXBRQILBE-UHFFFAOYSA-N -1 3 366.812 3.111 20 0 FGADHM CCOC(=O)c1sc(NC(=O)CC(CC)CC)c(-c2nnn[n-]2)c1C ZINC000821346715 607052887 /nfs/dbraw/zinc/05/28/87/607052887.db2.gz OIUFLBXFCCTYGC-UHFFFAOYSA-N -1 3 365.459 3.178 20 0 FGADHM CCOC(=O)c1sc(NC(=O)CC(CC)CC)c(-c2nn[n-]n2)c1C ZINC000821346715 607052889 /nfs/dbraw/zinc/05/28/89/607052889.db2.gz OIUFLBXFCCTYGC-UHFFFAOYSA-N -1 3 365.459 3.178 20 0 FGADHM Cc1cccc(OC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)c1C ZINC000822328443 607080091 /nfs/dbraw/zinc/08/00/91/607080091.db2.gz PYLQVWZOJOGNKD-UHFFFAOYSA-N -1 3 352.394 3.247 20 0 FGADHM Cc1cccc(OC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)c1C ZINC000822328443 607080092 /nfs/dbraw/zinc/08/00/92/607080092.db2.gz PYLQVWZOJOGNKD-UHFFFAOYSA-N -1 3 352.394 3.247 20 0 FGADHM CS[C@H](C(=O)OCc1cc(F)ccc1-c1nnn[n-]1)c1ccccc1 ZINC000821940976 607083955 /nfs/dbraw/zinc/08/39/55/607083955.db2.gz AWTDFDQYJNRNCO-HNNXBMFYSA-N -1 3 358.398 3.153 20 0 FGADHM CS[C@H](C(=O)OCc1cc(F)ccc1-c1nn[n-]n1)c1ccccc1 ZINC000821940976 607083956 /nfs/dbraw/zinc/08/39/56/607083956.db2.gz AWTDFDQYJNRNCO-HNNXBMFYSA-N -1 3 358.398 3.153 20 0 FGADHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000823413237 607084583 /nfs/dbraw/zinc/08/45/83/607084583.db2.gz CRMUECIJAWZTIQ-QWHCGFSZSA-N -1 3 374.322 3.131 20 0 FGADHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000823413237 607084584 /nfs/dbraw/zinc/08/45/84/607084584.db2.gz CRMUECIJAWZTIQ-QWHCGFSZSA-N -1 3 374.322 3.131 20 0 FGADHM C[C@H](OC(=O)c1ccnn1C1CCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820518619 607091475 /nfs/dbraw/zinc/09/14/75/607091475.db2.gz HSBSAFPIHRSXMF-LBPRGKRZSA-N -1 3 352.398 3.096 20 0 FGADHM C[C@H](OC(=O)c1ccnn1C1CCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820518619 607091477 /nfs/dbraw/zinc/09/14/77/607091477.db2.gz HSBSAFPIHRSXMF-LBPRGKRZSA-N -1 3 352.398 3.096 20 0 FGADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)O[C@@H]1CCc2sc(Cl)cc21 ZINC000823077878 607094297 /nfs/dbraw/zinc/09/42/97/607094297.db2.gz BRTHXVCJUPTCFM-GFCCVEGCSA-N -1 3 360.826 3.355 20 0 FGADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)O[C@@H]1CCc2sc(Cl)cc21 ZINC000823077878 607094298 /nfs/dbraw/zinc/09/42/98/607094298.db2.gz BRTHXVCJUPTCFM-GFCCVEGCSA-N -1 3 360.826 3.355 20 0 FGADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)C[C@H](C)c1ccccc1 ZINC000821292565 607100128 /nfs/dbraw/zinc/10/01/28/607100128.db2.gz CKMCHLCPRWXXGD-ZDUSSCGKSA-N -1 3 350.426 3.431 20 0 FGADHM CCCC1(CNC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000821035038 607111588 /nfs/dbraw/zinc/11/15/88/607111588.db2.gz ZQAYSVKQBCYOPD-UHFFFAOYSA-N -1 3 350.879 3.387 20 0 FGADHM CCCC1(CNC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000821035038 607111589 /nfs/dbraw/zinc/11/15/89/607111589.db2.gz ZQAYSVKQBCYOPD-UHFFFAOYSA-N -1 3 350.879 3.387 20 0 FGADHM CC(C)n1ncc2cc(CNc3ccc(-c4nn[n-]n4)cc3Cl)cnc21 ZINC000820215113 607124844 /nfs/dbraw/zinc/12/48/44/607124844.db2.gz TZWREFNZZFPMKY-UHFFFAOYSA-N -1 3 368.832 3.458 20 0 FGADHM Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(-c3nnn[n-]3)cc2F)c(C)c1 ZINC000822242561 607138469 /nfs/dbraw/zinc/13/84/69/607138469.db2.gz PIQMSUDYVYZGHD-GFCCVEGCSA-N -1 3 355.373 3.029 20 0 FGADHM Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2F)c(C)c1 ZINC000822242561 607138470 /nfs/dbraw/zinc/13/84/70/607138470.db2.gz PIQMSUDYVYZGHD-GFCCVEGCSA-N -1 3 355.373 3.029 20 0 FGADHM O=C(C=CSCc1ccco1)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000822923337 607142886 /nfs/dbraw/zinc/14/28/86/607142886.db2.gz PYGKRSCGPOLZLF-VURMDHGXSA-N -1 3 373.463 3.396 20 0 FGADHM O=C(/C=C\SCc1ccco1)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000822923337 607142887 /nfs/dbraw/zinc/14/28/87/607142887.db2.gz PYGKRSCGPOLZLF-VURMDHGXSA-N -1 3 373.463 3.396 20 0 FGADHM CCC[C@@H](C)[C@@H]1CCCN1C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000821014390 607152649 /nfs/dbraw/zinc/15/26/49/607152649.db2.gz FXCGNYMJQOQOPF-WBMJQRKESA-N -1 3 360.437 3.116 20 0 FGADHM CCC[C@@H](C)[C@@H]1CCCN1C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000821014390 607152651 /nfs/dbraw/zinc/15/26/51/607152651.db2.gz FXCGNYMJQOQOPF-WBMJQRKESA-N -1 3 360.437 3.116 20 0 FGADHM CCO[C@@H](CC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C)C(C)C ZINC000821351159 607156775 /nfs/dbraw/zinc/15/67/75/607156775.db2.gz MHDIZRYONJJOGX-INIZCTEOSA-N -1 3 361.446 3.044 20 0 FGADHM CCO[C@@H](CC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C)C(C)C ZINC000821351159 607156777 /nfs/dbraw/zinc/15/67/77/607156777.db2.gz MHDIZRYONJJOGX-INIZCTEOSA-N -1 3 361.446 3.044 20 0 FGADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OCc1ncc(C(C)(C)C)o1 ZINC000821699174 607158305 /nfs/dbraw/zinc/15/83/05/607158305.db2.gz FIVPHANOMAAFQX-UHFFFAOYSA-N -1 3 363.805 3.393 20 0 FGADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OCc1ncc(C(C)(C)C)o1 ZINC000821699174 607158306 /nfs/dbraw/zinc/15/83/06/607158306.db2.gz FIVPHANOMAAFQX-UHFFFAOYSA-N -1 3 363.805 3.393 20 0 FGADHM CC(C)CC[C@H]1CCCN1C(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000820073776 607163651 /nfs/dbraw/zinc/16/36/51/607163651.db2.gz VPOBVOFCNXWLNX-GDBMZVCRSA-N -1 3 357.458 3.061 20 0 FGADHM CCC[C@H](C)[C@@H]1CCCN1C(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000821014590 607164390 /nfs/dbraw/zinc/16/43/90/607164390.db2.gz JRSGZVZCQHWZHV-LZWOXQAQSA-N -1 3 357.458 3.061 20 0 FGADHM CCC[C@H](C)[C@@H]1CCCN1C(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000821014590 607164392 /nfs/dbraw/zinc/16/43/92/607164392.db2.gz JRSGZVZCQHWZHV-LZWOXQAQSA-N -1 3 357.458 3.061 20 0 FGADHM CCCCC[C@@H]1CCCN1C(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000821050746 607165034 /nfs/dbraw/zinc/16/50/34/607165034.db2.gz TZVHUEFXBHEBDE-HUUCEWRRSA-N -1 3 357.458 3.205 20 0 FGADHM CCCCC[C@@H]1CCCN1C(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000821050746 607165036 /nfs/dbraw/zinc/16/50/36/607165036.db2.gz TZVHUEFXBHEBDE-HUUCEWRRSA-N -1 3 357.458 3.205 20 0 FGADHM C[C@@H](N[C@H](C)c1cccc(-c2nnn[n-]2)c1)c1nc(-c2ccccc2)no1 ZINC000820413818 607172026 /nfs/dbraw/zinc/17/20/26/607172026.db2.gz VZUBANUAISHZBG-CHWSQXEVSA-N -1 3 361.409 3.329 20 0 FGADHM C[C@@H](N[C@H](C)c1cccc(-c2nn[n-]n2)c1)c1nc(-c2ccccc2)no1 ZINC000820413818 607172027 /nfs/dbraw/zinc/17/20/27/607172027.db2.gz VZUBANUAISHZBG-CHWSQXEVSA-N -1 3 361.409 3.329 20 0 FGADHM O=C(Cc1c[nH]c2ccc(F)cc12)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823074023 607190256 /nfs/dbraw/zinc/19/02/56/607190256.db2.gz IWNUOBXOCNUMGG-UHFFFAOYSA-N -1 3 370.775 3.322 20 0 FGADHM O=C(Cc1c[nH]c2ccc(F)cc12)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823074023 607190257 /nfs/dbraw/zinc/19/02/57/607190257.db2.gz IWNUOBXOCNUMGG-UHFFFAOYSA-N -1 3 370.775 3.322 20 0 FGADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1cc(C(F)F)ccc1Cl ZINC000822645624 607191971 /nfs/dbraw/zinc/19/19/71/607191971.db2.gz HVGSPAOQTYWHCE-UHFFFAOYSA-N -1 3 352.732 3.049 20 0 FGADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1cc(C(F)F)ccc1Cl ZINC000822645624 607191972 /nfs/dbraw/zinc/19/19/72/607191972.db2.gz HVGSPAOQTYWHCE-UHFFFAOYSA-N -1 3 352.732 3.049 20 0 FGADHM O=C(NCCCF)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000823187235 607194695 /nfs/dbraw/zinc/19/46/95/607194695.db2.gz HHRGIUCIBNKEGF-UHFFFAOYSA-N -1 3 356.361 3.140 20 0 FGADHM O=C(NCCCF)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000823187235 607194696 /nfs/dbraw/zinc/19/46/96/607194696.db2.gz HHRGIUCIBNKEGF-UHFFFAOYSA-N -1 3 356.361 3.140 20 0 FGADHM CC(C)(C)n1cc(NC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cn1 ZINC000819976239 607196220 /nfs/dbraw/zinc/19/62/20/607196220.db2.gz RKLHBACFPUZJJK-UHFFFAOYSA-N -1 3 360.809 3.116 20 0 FGADHM CC(C)(C)n1cc(NC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cn1 ZINC000819976239 607196221 /nfs/dbraw/zinc/19/62/21/607196221.db2.gz RKLHBACFPUZJJK-UHFFFAOYSA-N -1 3 360.809 3.116 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N1CCc2sccc2C1 ZINC000823318379 607198751 /nfs/dbraw/zinc/19/87/51/607198751.db2.gz DPHCGANMFZTBJQ-UHFFFAOYSA-N -1 3 360.830 3.172 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N1CCc2sccc2C1 ZINC000823318379 607198752 /nfs/dbraw/zinc/19/87/52/607198752.db2.gz DPHCGANMFZTBJQ-UHFFFAOYSA-N -1 3 360.830 3.172 20 0 FGADHM C[C@H](CNC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)c1ccccc1 ZINC000820269717 607199734 /nfs/dbraw/zinc/19/97/34/607199734.db2.gz ONQTZNPDXSMHFM-LLVKDONJSA-N -1 3 356.817 3.445 20 0 FGADHM C[C@H](CNC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)c1ccccc1 ZINC000820269717 607199735 /nfs/dbraw/zinc/19/97/35/607199735.db2.gz ONQTZNPDXSMHFM-LLVKDONJSA-N -1 3 356.817 3.445 20 0 FGADHM Cc1cnc([C@@H](C)NC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)s1 ZINC000822389050 607200219 /nfs/dbraw/zinc/20/02/19/607200219.db2.gz JTBRXDPQSKNENY-MRVPVSSYSA-N -1 3 363.834 3.168 20 0 FGADHM Cc1cnc([C@@H](C)NC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)s1 ZINC000822389050 607200220 /nfs/dbraw/zinc/20/02/20/607200220.db2.gz JTBRXDPQSKNENY-MRVPVSSYSA-N -1 3 363.834 3.168 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N[C@H]1CCc2ccc(F)cc21 ZINC000823318380 607204979 /nfs/dbraw/zinc/20/49/79/607204979.db2.gz DPVRYOWZXCFNML-AWEZNQCLSA-N -1 3 372.791 3.468 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N[C@H]1CCc2ccc(F)cc21 ZINC000823318380 607204980 /nfs/dbraw/zinc/20/49/80/607204980.db2.gz DPVRYOWZXCFNML-AWEZNQCLSA-N -1 3 372.791 3.468 20 0 FGADHM CC(C)(C)c1ncc(C=CC(=O)Oc2ccc(-c3nnn[n-]3)cc2F)s1 ZINC000819966146 607246766 /nfs/dbraw/zinc/24/67/66/607246766.db2.gz XSIAKWPVAZDCFA-FNORWQNLSA-N -1 3 373.413 3.379 20 0 FGADHM CC(C)(C)c1ncc(C=CC(=O)Oc2ccc(-c3nn[n-]n3)cc2F)s1 ZINC000819966146 607246767 /nfs/dbraw/zinc/24/67/67/607246767.db2.gz XSIAKWPVAZDCFA-FNORWQNLSA-N -1 3 373.413 3.379 20 0 FGADHM O=C(CCc1ccc(F)cc1F)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826408636 607783471 /nfs/dbraw/zinc/78/34/71/607783471.db2.gz PAVZRLNDHKCTRD-UHFFFAOYSA-N -1 3 363.755 3.370 20 0 FGADHM O=C(CCc1ccc(F)cc1F)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826408636 607783472 /nfs/dbraw/zinc/78/34/72/607783472.db2.gz PAVZRLNDHKCTRD-UHFFFAOYSA-N -1 3 363.755 3.370 20 0 FGADHM CC[C@H](C)OCC(=O)N(Cc1ccccc1)c1ccccc1-c1nnn[n-]1 ZINC000825066234 607784474 /nfs/dbraw/zinc/78/44/74/607784474.db2.gz AIXNQFZQXZLWRH-HNNXBMFYSA-N -1 3 365.437 3.215 20 0 FGADHM CC[C@H](C)OCC(=O)N(Cc1ccccc1)c1ccccc1-c1nn[n-]n1 ZINC000825066234 607784475 /nfs/dbraw/zinc/78/44/75/607784475.db2.gz AIXNQFZQXZLWRH-HNNXBMFYSA-N -1 3 365.437 3.215 20 0 FGADHM CCc1ccc(N[C@@H](C)C(=O)Nc2ccccc2-c2nnn[n-]2)cc1F ZINC000825718134 607784994 /nfs/dbraw/zinc/78/49/94/607784994.db2.gz WVLUOOWDKBWLMI-NSHDSACASA-N -1 3 354.389 3.007 20 0 FGADHM CCc1ccc(N[C@@H](C)C(=O)Nc2ccccc2-c2nn[n-]n2)cc1F ZINC000825718134 607784995 /nfs/dbraw/zinc/78/49/95/607784995.db2.gz WVLUOOWDKBWLMI-NSHDSACASA-N -1 3 354.389 3.007 20 0 FGADHM CC[C@@H](C)OCC(=O)Nc1sc(-c2ccccc2)cc1-c1nnn[n-]1 ZINC000825076284 607785379 /nfs/dbraw/zinc/78/53/79/607785379.db2.gz VAGVFAKVHYCUNU-LLVKDONJSA-N -1 3 357.439 3.349 20 0 FGADHM CC[C@@H](C)OCC(=O)Nc1sc(-c2ccccc2)cc1-c1nn[n-]n1 ZINC000825076284 607785380 /nfs/dbraw/zinc/78/53/80/607785380.db2.gz VAGVFAKVHYCUNU-LLVKDONJSA-N -1 3 357.439 3.349 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1CSCc1nc(C2CCCC2)no1 ZINC000826184904 607785671 /nfs/dbraw/zinc/78/56/71/607785671.db2.gz PTTZQVCJZZKHAP-UHFFFAOYSA-N -1 3 372.454 3.349 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1CSCc1nc(C2CCCC2)no1 ZINC000826184904 607785672 /nfs/dbraw/zinc/78/56/72/607785672.db2.gz PTTZQVCJZZKHAP-UHFFFAOYSA-N -1 3 372.454 3.349 20 0 FGADHM C[C@H](CC(=O)N(C)c1ccccc1-c1nnn[n-]1)c1ccc(F)cc1F ZINC000824384341 607788852 /nfs/dbraw/zinc/78/88/52/607788852.db2.gz AOIJZYRTHZTYMG-LLVKDONJSA-N -1 3 357.364 3.302 20 0 FGADHM C[C@H](CC(=O)N(C)c1ccccc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC000824384341 607788853 /nfs/dbraw/zinc/78/88/53/607788853.db2.gz AOIJZYRTHZTYMG-LLVKDONJSA-N -1 3 357.364 3.302 20 0 FGADHM CN(C(=O)Cc1cc(Cl)ccc1Cl)c1ccccc1-c1nnn[n-]1 ZINC000825820600 607790767 /nfs/dbraw/zinc/79/07/67/607790767.db2.gz MANZZYKVDAIKLU-UHFFFAOYSA-N -1 3 362.220 3.379 20 0 FGADHM CN(C(=O)Cc1cc(Cl)ccc1Cl)c1ccccc1-c1nn[n-]n1 ZINC000825820600 607790768 /nfs/dbraw/zinc/79/07/68/607790768.db2.gz MANZZYKVDAIKLU-UHFFFAOYSA-N -1 3 362.220 3.379 20 0 FGADHM C[C@@H](CC(=O)Oc1ccc(-c2nnn[n-]2)cc1F)c1ccc(F)cc1F ZINC000824394613 607791113 /nfs/dbraw/zinc/79/11/13/607791113.db2.gz YKQCSAQXNQSLHG-VIFPVBQESA-N -1 3 362.311 3.383 20 0 FGADHM C[C@@H](CC(=O)Oc1ccc(-c2nn[n-]n2)cc1F)c1ccc(F)cc1F ZINC000824394613 607791114 /nfs/dbraw/zinc/79/11/14/607791114.db2.gz YKQCSAQXNQSLHG-VIFPVBQESA-N -1 3 362.311 3.383 20 0 FGADHM CCN(C(=O)CSc1cccc(OC)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825376287 607795585 /nfs/dbraw/zinc/79/55/85/607795585.db2.gz FIJFAJIJKYFFDZ-UHFFFAOYSA-N -1 3 369.450 3.021 20 0 FGADHM CCN(C(=O)CSc1cccc(OC)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825376287 607795586 /nfs/dbraw/zinc/79/55/86/607795586.db2.gz FIJFAJIJKYFFDZ-UHFFFAOYSA-N -1 3 369.450 3.021 20 0 FGADHM CCN(C(=O)CCOc1c(C)cccc1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825371924 607796631 /nfs/dbraw/zinc/79/66/31/607796631.db2.gz MUZNUHJHNNCUJW-UHFFFAOYSA-N -1 3 365.437 3.306 20 0 FGADHM CCN(C(=O)CCOc1c(C)cccc1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825371924 607796632 /nfs/dbraw/zinc/79/66/32/607796632.db2.gz MUZNUHJHNNCUJW-UHFFFAOYSA-N -1 3 365.437 3.306 20 0 FGADHM CCN(C(=O)C(F)(F)c1ccc(F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825366649 607797283 /nfs/dbraw/zinc/79/72/83/607797283.db2.gz CVPCTNDMTGADFF-UHFFFAOYSA-N -1 3 361.327 3.151 20 0 FGADHM CCN(C(=O)C(F)(F)c1ccc(F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825366649 607797284 /nfs/dbraw/zinc/79/72/84/607797284.db2.gz CVPCTNDMTGADFF-UHFFFAOYSA-N -1 3 361.327 3.151 20 0 FGADHM CCCOc1cccc(C(=O)N(CC)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000825341666 607798012 /nfs/dbraw/zinc/79/80/12/607798012.db2.gz HGBDTGPFIRJZBA-UHFFFAOYSA-N -1 3 351.410 3.322 20 0 FGADHM CCCOc1cccc(C(=O)N(CC)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000825341666 607798013 /nfs/dbraw/zinc/79/80/13/607798013.db2.gz HGBDTGPFIRJZBA-UHFFFAOYSA-N -1 3 351.410 3.322 20 0 FGADHM CCOc1c(F)cccc1C(=O)N(CC)c1ccc(-c2nnn[n-]2)cc1 ZINC000825603789 607798650 /nfs/dbraw/zinc/79/86/50/607798650.db2.gz CNMZNVBAMCDNFW-UHFFFAOYSA-N -1 3 355.373 3.071 20 0 FGADHM CCOc1c(F)cccc1C(=O)N(CC)c1ccc(-c2nn[n-]n2)cc1 ZINC000825603789 607798651 /nfs/dbraw/zinc/79/86/51/607798651.db2.gz CNMZNVBAMCDNFW-UHFFFAOYSA-N -1 3 355.373 3.071 20 0 FGADHM CCN(C(=O)c1sc([C@@H](C)OC)nc1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825391468 607799658 /nfs/dbraw/zinc/79/96/58/607799658.db2.gz ZTGJXWFKTJGUPP-LLVKDONJSA-N -1 3 372.454 3.006 20 0 FGADHM CCN(C(=O)c1sc([C@@H](C)OC)nc1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825391468 607799659 /nfs/dbraw/zinc/79/96/59/607799659.db2.gz ZTGJXWFKTJGUPP-LLVKDONJSA-N -1 3 372.454 3.006 20 0 FGADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)Nc1nc2ccccc2n1C1CC1 ZINC000826408768 607861986 /nfs/dbraw/zinc/86/19/86/607861986.db2.gz UIDJOFRLAGUMFQ-UHFFFAOYSA-N -1 3 373.420 3.123 20 0 FGADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)Nc1nc2ccccc2n1C1CC1 ZINC000826408768 607861987 /nfs/dbraw/zinc/86/19/87/607861987.db2.gz UIDJOFRLAGUMFQ-UHFFFAOYSA-N -1 3 373.420 3.123 20 0 FGADHM CCN(C(=O)COc1ccc(C)cc1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825372000 607878682 /nfs/dbraw/zinc/87/86/82/607878682.db2.gz POQKTTHDWLCODH-UHFFFAOYSA-N -1 3 371.828 3.260 20 0 FGADHM CCN(C(=O)COc1ccc(C)cc1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825372000 607878683 /nfs/dbraw/zinc/87/86/83/607878683.db2.gz POQKTTHDWLCODH-UHFFFAOYSA-N -1 3 371.828 3.260 20 0 FGADHM CCN(C(=O)COc1cccc(C)c1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825371415 607878845 /nfs/dbraw/zinc/87/88/45/607878845.db2.gz GLERAWCSNVIPTE-UHFFFAOYSA-N -1 3 371.828 3.260 20 0 FGADHM CCN(C(=O)COc1cccc(C)c1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825371415 607878846 /nfs/dbraw/zinc/87/88/46/607878846.db2.gz GLERAWCSNVIPTE-UHFFFAOYSA-N -1 3 371.828 3.260 20 0 FGADHM C[C@H](Cc1cccc(Cl)c1)C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000824457490 607880976 /nfs/dbraw/zinc/88/09/76/607880976.db2.gz NUWCFQQOFGFZIG-GFCCVEGCSA-N -1 3 355.829 3.015 20 0 FGADHM C[C@H](Cc1cccc(Cl)c1)C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000824457490 607880977 /nfs/dbraw/zinc/88/09/77/607880977.db2.gz NUWCFQQOFGFZIG-GFCCVEGCSA-N -1 3 355.829 3.015 20 0 FGADHM COc1ccc(CNC(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)cc1-c1nnn[n-]1 ZINC000826195997 607908508 /nfs/dbraw/zinc/90/85/08/607908508.db2.gz NFLDWKIYFSAZRL-HRCADAONSA-N -1 3 369.469 3.098 20 0 FGADHM COc1ccc(CNC(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)cc1-c1nn[n-]n1 ZINC000826195997 607908509 /nfs/dbraw/zinc/90/85/09/607908509.db2.gz NFLDWKIYFSAZRL-HRCADAONSA-N -1 3 369.469 3.098 20 0 FGADHM CC[C@H]1c2ccccc2CCN1C(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000825219135 607928558 /nfs/dbraw/zinc/92/85/58/607928558.db2.gz HQXMQEQZJGVBKE-HNNXBMFYSA-N -1 3 368.828 3.065 20 0 FGADHM CC[C@H]1c2ccccc2CCN1C(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000825219135 607928559 /nfs/dbraw/zinc/92/85/59/607928559.db2.gz HQXMQEQZJGVBKE-HNNXBMFYSA-N -1 3 368.828 3.065 20 0 FGADHM c1ccc(N2Cc3cccc(NCc4ccc(-c5nnn[n-]5)cc4)c3C2)nc1 ZINC000826521869 607939298 /nfs/dbraw/zinc/93/92/98/607939298.db2.gz BSPNBCTWCLBQAY-UHFFFAOYSA-N -1 3 369.432 3.394 20 0 FGADHM c1ccc(N2Cc3cccc(NCc4ccc(-c5nn[n-]n5)cc4)c3C2)nc1 ZINC000826521869 607939299 /nfs/dbraw/zinc/93/92/99/607939299.db2.gz BSPNBCTWCLBQAY-UHFFFAOYSA-N -1 3 369.432 3.394 20 0 FGADHM C[C@H](CC(=O)N1CCc2ccc(-c3nnn[n-]3)cc21)c1cccc(F)c1 ZINC000824385318 607946095 /nfs/dbraw/zinc/94/60/95/607946095.db2.gz QEZPZVOKGFDMIH-GFCCVEGCSA-N -1 3 351.385 3.089 20 0 FGADHM C[C@H](CC(=O)N1CCc2ccc(-c3nn[n-]n3)cc21)c1cccc(F)c1 ZINC000824385318 607946096 /nfs/dbraw/zinc/94/60/96/607946096.db2.gz QEZPZVOKGFDMIH-GFCCVEGCSA-N -1 3 351.385 3.089 20 0 FGADHM Cc1ccc2c(CC(=O)N3CCc4ccc(-c5nnn[n-]5)cc43)coc2c1 ZINC000826293087 607948060 /nfs/dbraw/zinc/94/80/60/607948060.db2.gz AEIFIHWZJDXEOL-UHFFFAOYSA-N -1 3 359.389 3.053 20 0 FGADHM Cc1ccc2c(CC(=O)N3CCc4ccc(-c5nn[n-]n5)cc43)coc2c1 ZINC000826293087 607948061 /nfs/dbraw/zinc/94/80/61/607948061.db2.gz AEIFIHWZJDXEOL-UHFFFAOYSA-N -1 3 359.389 3.053 20 0 FGADHM O=C(Cc1cccc(C(F)(F)F)c1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826423148 607951862 /nfs/dbraw/zinc/95/18/62/607951862.db2.gz AJILDOLZNJHGGB-UHFFFAOYSA-N -1 3 373.338 3.017 20 0 FGADHM O=C(Cc1cccc(C(F)(F)F)c1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826423148 607951863 /nfs/dbraw/zinc/95/18/63/607951863.db2.gz AJILDOLZNJHGGB-UHFFFAOYSA-N -1 3 373.338 3.017 20 0 FGADHM C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)o1 ZINC000824900013 607953922 /nfs/dbraw/zinc/95/39/22/607953922.db2.gz RJVWIGAQCQVWCJ-WBMJQRKESA-N -1 3 363.421 3.105 20 0 FGADHM C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)o1 ZINC000824900013 607953923 /nfs/dbraw/zinc/95/39/23/607953923.db2.gz RJVWIGAQCQVWCJ-WBMJQRKESA-N -1 3 363.421 3.105 20 0 FGADHM Cc1cc(C(=O)Nc2ccccc2-c2nnn[n-]2)ccc1Br ZINC000826260466 607962783 /nfs/dbraw/zinc/96/27/83/607962783.db2.gz PBHDKHNNKYQJSQ-UHFFFAOYSA-N -1 3 358.199 3.190 20 0 FGADHM Cc1cc(C(=O)Nc2ccccc2-c2nn[n-]n2)ccc1Br ZINC000826260466 607962784 /nfs/dbraw/zinc/96/27/84/607962784.db2.gz PBHDKHNNKYQJSQ-UHFFFAOYSA-N -1 3 358.199 3.190 20 0 FGADHM CC1(C)CN(C(=S)Nc2ccccc2-c2nnn[n-]2)Cc2ccccc21 ZINC000824808762 607967919 /nfs/dbraw/zinc/96/79/19/607967919.db2.gz YXJLOFWAVCQRDO-UHFFFAOYSA-N -1 3 364.478 3.357 20 0 FGADHM CC1(C)CN(C(=S)Nc2ccccc2-c2nn[n-]n2)Cc2ccccc21 ZINC000824808762 607967920 /nfs/dbraw/zinc/96/79/20/607967920.db2.gz YXJLOFWAVCQRDO-UHFFFAOYSA-N -1 3 364.478 3.357 20 0 FGADHM c1ccc2c(c1)[nH]c1c2CCN(c2nc3ccccc3cc2-c2nnn[n-]2)C1 ZINC000826523975 607969402 /nfs/dbraw/zinc/96/94/02/607969402.db2.gz DQHFCVWSXIZSKT-UHFFFAOYSA-N -1 3 367.416 3.459 20 0 FGADHM c1ccc2c(c1)[nH]c1c2CCN(c2nc3ccccc3cc2-c2nn[n-]n2)C1 ZINC000826523975 607969403 /nfs/dbraw/zinc/96/94/03/607969403.db2.gz DQHFCVWSXIZSKT-UHFFFAOYSA-N -1 3 367.416 3.459 20 0 FGADHM c1ccc(Cn2c(-c3ccc(-c4nnn[n-]4)cc3)nc3cccnc32)cc1 ZINC000826522018 607976231 /nfs/dbraw/zinc/97/62/31/607976231.db2.gz IGRURCFYMRNJHS-UHFFFAOYSA-N -1 3 353.389 3.327 20 0 FGADHM c1ccc(Cn2c(-c3ccc(-c4nn[n-]n4)cc3)nc3cccnc32)cc1 ZINC000826522018 607976232 /nfs/dbraw/zinc/97/62/32/607976232.db2.gz IGRURCFYMRNJHS-UHFFFAOYSA-N -1 3 353.389 3.327 20 0 FGADHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)c1cnc2ccc(F)cc2c1 ZINC000826464905 607978160 /nfs/dbraw/zinc/97/81/60/607978160.db2.gz RGDCQOGLNQSIOU-UHFFFAOYSA-N -1 3 367.315 3.050 20 0 FGADHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)c1cnc2ccc(F)cc2c1 ZINC000826464905 607978161 /nfs/dbraw/zinc/97/81/61/607978161.db2.gz RGDCQOGLNQSIOU-UHFFFAOYSA-N -1 3 367.315 3.050 20 0 FGADHM Cc1nc(CCNc2ccc(-c3nn[n-]n3)cc2Br)cs1 ZINC000826326093 607988590 /nfs/dbraw/zinc/98/85/90/607988590.db2.gz ZTQFFLIHHCFKHZ-UHFFFAOYSA-N -1 3 365.260 3.049 20 0 FGADHM C[C@@H](OC(=O)c1cnc2ccc(F)cc2c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824724028 607989728 /nfs/dbraw/zinc/98/97/28/607989728.db2.gz XJYAGKZUQMISFM-LLVKDONJSA-N -1 3 363.352 3.472 20 0 FGADHM C[C@@H](OC(=O)c1cnc2ccc(F)cc2c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824724028 607989729 /nfs/dbraw/zinc/98/97/29/607989729.db2.gz XJYAGKZUQMISFM-LLVKDONJSA-N -1 3 363.352 3.472 20 0 FGADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)C1CCC(F)(F)CC1 ZINC000826167959 608000798 /nfs/dbraw/zinc/00/07/98/608000798.db2.gz XOXICYBIGIVRQG-UHFFFAOYSA-N -1 3 372.759 3.260 20 0 FGADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)C1CCC(F)(F)CC1 ZINC000826167959 608000799 /nfs/dbraw/zinc/00/07/99/608000799.db2.gz XOXICYBIGIVRQG-UHFFFAOYSA-N -1 3 372.759 3.260 20 0 FGADHM Cc1ccc(-c2ncco2)cc1NC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000826273635 608004082 /nfs/dbraw/zinc/00/40/82/608004082.db2.gz NMXPSANLWIOTGC-UHFFFAOYSA-N -1 3 360.377 3.011 20 0 FGADHM Cc1ccc(-c2ncco2)cc1NC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826273635 608004083 /nfs/dbraw/zinc/00/40/83/608004083.db2.gz NMXPSANLWIOTGC-UHFFFAOYSA-N -1 3 360.377 3.011 20 0 FGADHM CC[C@H](C)n1ncc(C(=O)Oc2ccc(-c3nnn[n-]3)cc2)c1C1CC1 ZINC000825081197 608024172 /nfs/dbraw/zinc/02/41/72/608024172.db2.gz HIXOKHNCWQJOAA-NSHDSACASA-N -1 3 352.398 3.131 20 0 FGADHM CC[C@H](C)n1ncc(C(=O)Oc2ccc(-c3nn[n-]n3)cc2)c1C1CC1 ZINC000825081197 608024173 /nfs/dbraw/zinc/02/41/73/608024173.db2.gz HIXOKHNCWQJOAA-NSHDSACASA-N -1 3 352.398 3.131 20 0 FGADHM Cc1ncc(-c2ccccc2)cc1NC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000826329663 608027258 /nfs/dbraw/zinc/02/72/58/608027258.db2.gz MOIQZTZPKJPXRU-UHFFFAOYSA-N -1 3 370.416 3.418 20 0 FGADHM Cc1ncc(-c2ccccc2)cc1NC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826329663 608027259 /nfs/dbraw/zinc/02/72/59/608027259.db2.gz MOIQZTZPKJPXRU-UHFFFAOYSA-N -1 3 370.416 3.418 20 0 FGADHM COc1ccc(CNc2nc3cc(Cl)ccc3n2C)cc1-c1nnn[n-]1 ZINC000826204399 608046560 /nfs/dbraw/zinc/04/65/60/608046560.db2.gz JJFUDFYBSPRXII-UHFFFAOYSA-N -1 3 369.816 3.028 20 0 FGADHM COc1ccc(CNc2nc3cc(Cl)ccc3n2C)cc1-c1nn[n-]n1 ZINC000826204399 608046561 /nfs/dbraw/zinc/04/65/61/608046561.db2.gz JJFUDFYBSPRXII-UHFFFAOYSA-N -1 3 369.816 3.028 20 0 FGADHM Cc1cccc([C@@H](O)CNc2ccc(-c3nn[n-]n3)cc2Br)c1 ZINC000826296634 608051368 /nfs/dbraw/zinc/05/13/68/608051368.db2.gz DMTKHNGHOGOPQG-HNNXBMFYSA-N -1 3 374.242 3.083 20 0 FGADHM c1ccc2sc(N3CCO[C@@H](c4cccc(-c5nnn[n-]5)c4)C3)nc2c1 ZINC000826513459 608052254 /nfs/dbraw/zinc/05/22/54/608052254.db2.gz LZSXBMDXOCKGAM-OAHLLOKOSA-N -1 3 364.434 3.054 20 0 FGADHM c1ccc2sc(N3CCO[C@@H](c4cccc(-c5nn[n-]n5)c4)C3)nc2c1 ZINC000826513459 608052255 /nfs/dbraw/zinc/05/22/55/608052255.db2.gz LZSXBMDXOCKGAM-OAHLLOKOSA-N -1 3 364.434 3.054 20 0 FGADHM C[C@H](Oc1ccc(Cl)c(F)c1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000824737406 608055340 /nfs/dbraw/zinc/05/53/40/608055340.db2.gz GETDFTLMXKUHBG-VIFPVBQESA-N -1 3 361.764 3.065 20 0 FGADHM C[C@H](Oc1ccc(Cl)c(F)c1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000824737406 608055341 /nfs/dbraw/zinc/05/53/41/608055341.db2.gz GETDFTLMXKUHBG-VIFPVBQESA-N -1 3 361.764 3.065 20 0 FGADHM C[C@H]1C[C@@H]1NC(=O)c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000824901057 608057707 /nfs/dbraw/zinc/05/77/07/608057707.db2.gz XOFMSBHEBXSBBU-HZMBPMFUSA-N -1 3 369.812 3.451 20 0 FGADHM C[C@H]1C[C@@H]1NC(=O)c1ccc(Oc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000824901057 608057708 /nfs/dbraw/zinc/05/77/08/608057708.db2.gz XOFMSBHEBXSBBU-HZMBPMFUSA-N -1 3 369.812 3.451 20 0 FGADHM CC[C@@H](C)n1ncc(NC(=O)c2cccc(-c3nnn[n-]3)c2)c1C1CC1 ZINC000825081725 608102709 /nfs/dbraw/zinc/10/27/09/608102709.db2.gz MVRDCDDHSANZHS-LLVKDONJSA-N -1 3 351.414 3.164 20 0 FGADHM CC[C@@H](C)n1ncc(NC(=O)c2cccc(-c3nn[n-]n3)c2)c1C1CC1 ZINC000825081725 608102710 /nfs/dbraw/zinc/10/27/10/608102710.db2.gz MVRDCDDHSANZHS-LLVKDONJSA-N -1 3 351.414 3.164 20 0 FGADHM C[C@H](NC(=O)[C@@H](C)c1c(F)cccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000824470611 608115175 /nfs/dbraw/zinc/11/51/75/608115175.db2.gz KDBXCYIBMGDASX-QWRGUYRKSA-N -1 3 357.364 3.126 20 0 FGADHM C[C@H](NC(=O)[C@@H](C)c1c(F)cccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000824470611 608115176 /nfs/dbraw/zinc/11/51/76/608115176.db2.gz KDBXCYIBMGDASX-QWRGUYRKSA-N -1 3 357.364 3.126 20 0 FGADHM C[C@H](C(=O)OCc1cc(-c2nnn[n-]2)ccc1F)c1c(F)cccc1F ZINC000824052363 608117239 /nfs/dbraw/zinc/11/72/39/608117239.db2.gz NQQCINNPGSHMOQ-VIFPVBQESA-N -1 3 362.311 3.131 20 0 FGADHM C[C@H](C(=O)OCc1cc(-c2nn[n-]n2)ccc1F)c1c(F)cccc1F ZINC000824052363 608117240 /nfs/dbraw/zinc/11/72/40/608117240.db2.gz NQQCINNPGSHMOQ-VIFPVBQESA-N -1 3 362.311 3.131 20 0 FGADHM C[C@@H](C(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1c(F)cccc1F ZINC000824039587 608120490 /nfs/dbraw/zinc/12/04/90/608120490.db2.gz FRVKBTCGMXRUOJ-LLVKDONJSA-N -1 3 369.375 3.054 20 0 FGADHM C[C@@H](C(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1c(F)cccc1F ZINC000824039587 608120491 /nfs/dbraw/zinc/12/04/91/608120491.db2.gz FRVKBTCGMXRUOJ-LLVKDONJSA-N -1 3 369.375 3.054 20 0 FGADHM FC(F)Oc1ccc2ncc(-c3nnn[n-]3)c(N3CC[C@H](C4CC4)C3)c2c1 ZINC000826369726 608152259 /nfs/dbraw/zinc/15/22/59/608152259.db2.gz OJNKRIYICLWDKG-NSHDSACASA-N -1 3 372.379 3.253 20 0 FGADHM FC(F)Oc1ccc2ncc(-c3nn[n-]n3)c(N3CC[C@H](C4CC4)C3)c2c1 ZINC000826369726 608152262 /nfs/dbraw/zinc/15/22/62/608152262.db2.gz OJNKRIYICLWDKG-NSHDSACASA-N -1 3 372.379 3.253 20 0 FGADHM C[C@@H]1OCC[C@H]1C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825019794 608158415 /nfs/dbraw/zinc/15/84/15/608158415.db2.gz GVEJYNMZHIPXJH-YVEFUNNKSA-N -1 3 365.393 3.023 20 0 FGADHM C[C@@H]1OCC[C@H]1C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825019794 608158417 /nfs/dbraw/zinc/15/84/17/608158417.db2.gz GVEJYNMZHIPXJH-YVEFUNNKSA-N -1 3 365.393 3.023 20 0 FGADHM C[C@H](OC(=O)C1(c2ccccc2F)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000824715751 608183507 /nfs/dbraw/zinc/18/35/07/608183507.db2.gz UUMKGVUOYLYOGN-LBPRGKRZSA-N -1 3 352.369 3.342 20 0 FGADHM C[C@H](OC(=O)C1(c2ccccc2F)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000824715751 608183509 /nfs/dbraw/zinc/18/35/09/608183509.db2.gz UUMKGVUOYLYOGN-LBPRGKRZSA-N -1 3 352.369 3.342 20 0 FGADHM CC[C@@H](C)[C@@H](O)C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000825060940 608195200 /nfs/dbraw/zinc/19/52/00/608195200.db2.gz VHBKBZHXGDBQRR-SJKOYZFVSA-N -1 3 367.409 3.005 20 0 FGADHM CC[C@@H](C)[C@@H](O)C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000825060940 608195201 /nfs/dbraw/zinc/19/52/01/608195201.db2.gz VHBKBZHXGDBQRR-SJKOYZFVSA-N -1 3 367.409 3.005 20 0 FGADHM Cc1ccc(OCCCC(=O)OCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826291933 608203411 /nfs/dbraw/zinc/20/34/11/608203411.db2.gz BOSAOTQEPUCNDQ-UHFFFAOYSA-N -1 3 352.394 3.078 20 0 FGADHM Cc1ccc(OCCCC(=O)OCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826291933 608203413 /nfs/dbraw/zinc/20/34/13/608203413.db2.gz BOSAOTQEPUCNDQ-UHFFFAOYSA-N -1 3 352.394 3.078 20 0 FGADHM C[C@@H](Sc1cccc(Cl)c1-c1nnn[n-]1)C(=O)NC1CCCCC1 ZINC000824753083 608205622 /nfs/dbraw/zinc/20/56/22/608205622.db2.gz BUEXAFCRLIBBHG-SNVBAGLBSA-N -1 3 365.890 3.450 20 0 FGADHM C[C@@H](Sc1cccc(Cl)c1-c1nn[n-]n1)C(=O)NC1CCCCC1 ZINC000824753083 608205624 /nfs/dbraw/zinc/20/56/24/608205624.db2.gz BUEXAFCRLIBBHG-SNVBAGLBSA-N -1 3 365.890 3.450 20 0 FGADHM Cc1ccncc1[C@H](C)NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000826314702 608209360 /nfs/dbraw/zinc/20/93/60/608209360.db2.gz JJQVFNLKGONRCZ-JTQLQIEISA-N -1 3 357.805 3.106 20 0 FGADHM Cc1ccncc1[C@H](C)NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000826314702 608209361 /nfs/dbraw/zinc/20/93/61/608209361.db2.gz JJQVFNLKGONRCZ-JTQLQIEISA-N -1 3 357.805 3.106 20 0 FGADHM c1ccc([C@@H]2CN(c3ccc4cc(-c5nnn[n-]5)ccc4n3)CCCO2)cc1 ZINC000826520266 608227743 /nfs/dbraw/zinc/22/77/43/608227743.db2.gz DTRBLNBDCPRHCX-IBGZPJMESA-N -1 3 372.432 3.383 20 0 FGADHM c1ccc([C@@H]2CN(c3ccc4cc(-c5nn[n-]n5)ccc4n3)CCCO2)cc1 ZINC000826520266 608227745 /nfs/dbraw/zinc/22/77/45/608227745.db2.gz DTRBLNBDCPRHCX-IBGZPJMESA-N -1 3 372.432 3.383 20 0 FGADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C=Cc1ccc2[nH]ccc2c1 ZINC000825972052 608229001 /nfs/dbraw/zinc/22/90/01/608229001.db2.gz TTZDJNRHEASGPW-SOFGYWHQSA-N -1 3 358.405 3.020 20 0 FGADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C=Cc1ccc2[nH]ccc2c1 ZINC000825972052 608229004 /nfs/dbraw/zinc/22/90/04/608229004.db2.gz TTZDJNRHEASGPW-SOFGYWHQSA-N -1 3 358.405 3.020 20 0 FGADHM COc1ccccc1[C@H]1CCN(c2ccc3cc(-c4nnn[n-]4)ccc3n2)C1 ZINC000826219353 608228996 /nfs/dbraw/zinc/22/89/96/608228996.db2.gz ZGUAUTZZNPCKOX-INIZCTEOSA-N -1 3 372.432 3.417 20 0 FGADHM COc1ccccc1[C@H]1CCN(c2ccc3cc(-c4nn[n-]n4)ccc3n2)C1 ZINC000826219353 608228998 /nfs/dbraw/zinc/22/89/98/608228998.db2.gz ZGUAUTZZNPCKOX-INIZCTEOSA-N -1 3 372.432 3.417 20 0 FGADHM CC1(C)[C@H](Nc2ccc3cc(-c4nnn[n-]4)ccc3n2)[C@@H]2CCCO[C@H]21 ZINC000824790762 608229515 /nfs/dbraw/zinc/22/95/15/608229515.db2.gz QIQOZMKIRDSXJR-IAOVAPTHSA-N -1 3 350.426 3.030 20 0 FGADHM CC1(C)[C@H](Nc2ccc3cc(-c4nn[n-]n4)ccc3n2)[C@@H]2CCCO[C@H]21 ZINC000824790762 608229517 /nfs/dbraw/zinc/22/95/17/608229517.db2.gz QIQOZMKIRDSXJR-IAOVAPTHSA-N -1 3 350.426 3.030 20 0 FGADHM c1ccc(C[C@H]2CCN(c3ccc4cc(-c5nnn[n-]5)ccc4n3)C2)cc1 ZINC000826520769 608231261 /nfs/dbraw/zinc/23/12/61/608231261.db2.gz QVCSAZCUFLCNJZ-MRXNPFEDSA-N -1 3 356.433 3.484 20 0 FGADHM c1ccc(C[C@H]2CCN(c3ccc4cc(-c5nn[n-]n5)ccc4n3)C2)cc1 ZINC000826520769 608231262 /nfs/dbraw/zinc/23/12/62/608231262.db2.gz QVCSAZCUFLCNJZ-MRXNPFEDSA-N -1 3 356.433 3.484 20 0 FGADHM CC(C)(C)OC1CCN(c2ccc3cc(-c4nnn[n-]4)ccc3n2)CC1 ZINC000824120005 608233063 /nfs/dbraw/zinc/23/30/63/608233063.db2.gz WSZPMXGUXRKXRC-UHFFFAOYSA-N -1 3 352.442 3.199 20 0 FGADHM CC(C)(C)OC1CCN(c2ccc3cc(-c4nn[n-]n4)ccc3n2)CC1 ZINC000824120005 608233064 /nfs/dbraw/zinc/23/30/64/608233064.db2.gz WSZPMXGUXRKXRC-UHFFFAOYSA-N -1 3 352.442 3.199 20 0 FGADHM CC(C)(C)[C@H]1C[C@H](Nc2ccc3cc(-c4nnn[n-]4)ccc3n2)CCO1 ZINC000824079629 608233914 /nfs/dbraw/zinc/23/39/14/608233914.db2.gz QMXJYXZEBLQCLW-GDBMZVCRSA-N -1 3 352.442 3.421 20 0 FGADHM CC(C)(C)[C@H]1C[C@H](Nc2ccc3cc(-c4nn[n-]n4)ccc3n2)CCO1 ZINC000824079629 608233916 /nfs/dbraw/zinc/23/39/16/608233916.db2.gz QMXJYXZEBLQCLW-GDBMZVCRSA-N -1 3 352.442 3.421 20 0 FGADHM CCC1(O)CCC(Nc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)CC1 ZINC000825176440 608239055 /nfs/dbraw/zinc/23/90/55/608239055.db2.gz TUBOTCUQZSDWAY-UHFFFAOYSA-N -1 3 355.364 3.381 20 0 FGADHM COc1ccc(COCCNc2ccc(Cl)cc2-c2nnn[n-]2)cc1 ZINC000826206682 608239695 /nfs/dbraw/zinc/23/96/95/608239695.db2.gz HBBFOGQPQDEFDJ-UHFFFAOYSA-N -1 3 359.817 3.157 20 0 FGADHM COc1ccc(COCCNc2ccc(Cl)cc2-c2nn[n-]n2)cc1 ZINC000826206682 608239696 /nfs/dbraw/zinc/23/96/96/608239696.db2.gz HBBFOGQPQDEFDJ-UHFFFAOYSA-N -1 3 359.817 3.157 20 0 FGADHM Fc1cccc(CN2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)c1Cl ZINC000826376564 608262752 /nfs/dbraw/zinc/26/27/52/608262752.db2.gz JFLAHGCTVOOTNZ-MRXNPFEDSA-N -1 3 373.819 3.233 20 0 FGADHM Fc1cccc(CN2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)c1Cl ZINC000826376564 608262755 /nfs/dbraw/zinc/26/27/55/608262755.db2.gz JFLAHGCTVOOTNZ-MRXNPFEDSA-N -1 3 373.819 3.233 20 0 FGADHM O=C(Nc1ccc(C2CC2)cc1)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826453197 608270040 /nfs/dbraw/zinc/27/00/40/608270040.db2.gz AHCBOUHPYURBFX-LJQANCHMSA-N -1 3 374.448 3.352 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)c(N(C)Cc2ccc(OC(F)(F)F)cc2)n1 ZINC000826274362 608272455 /nfs/dbraw/zinc/27/24/55/608272455.db2.gz OXDFTZZHDUURTI-UHFFFAOYSA-N -1 3 364.331 3.105 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)c(N(C)Cc2ccc(OC(F)(F)F)cc2)n1 ZINC000826274362 608272457 /nfs/dbraw/zinc/27/24/57/608272457.db2.gz OXDFTZZHDUURTI-UHFFFAOYSA-N -1 3 364.331 3.105 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)Cc1cccc2cccnc21 ZINC000826254151 608275666 /nfs/dbraw/zinc/27/56/66/608275666.db2.gz XGCIKWOTOBMEON-UHFFFAOYSA-N -1 3 359.389 3.009 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)Cc1cccc2cccnc21 ZINC000826254151 608275667 /nfs/dbraw/zinc/27/56/67/608275667.db2.gz XGCIKWOTOBMEON-UHFFFAOYSA-N -1 3 359.389 3.009 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)c(NCc2ccc(OC3CCCCC3)nc2)n1 ZINC000826276608 608280745 /nfs/dbraw/zinc/28/07/45/608280745.db2.gz NOHOVIIXIIFZBV-UHFFFAOYSA-N -1 3 365.441 3.289 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)c(NCc2ccc(OC3CCCCC3)nc2)n1 ZINC000826276608 608280747 /nfs/dbraw/zinc/28/07/47/608280747.db2.gz NOHOVIIXIIFZBV-UHFFFAOYSA-N -1 3 365.441 3.289 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)c(N[C@H]2C[C@@H]2c2cccc(Br)c2)n1 ZINC000826274784 608281944 /nfs/dbraw/zinc/28/19/44/608281944.db2.gz FDMRJPDOUNTOPO-KGLIPLIRSA-N -1 3 371.242 3.301 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)c(N[C@H]2C[C@@H]2c2cccc(Br)c2)n1 ZINC000826274784 608281945 /nfs/dbraw/zinc/28/19/45/608281945.db2.gz FDMRJPDOUNTOPO-KGLIPLIRSA-N -1 3 371.242 3.301 20 0 FGADHM C[C@@H](NCc1cc(-c2nn[n-]n2)ccc1F)c1nc2c(s1)CCCC2 ZINC000824611757 608282533 /nfs/dbraw/zinc/28/25/33/608282533.db2.gz DMHVUAABLVVWPG-SNVBAGLBSA-N -1 3 358.446 3.192 20 0 FGADHM c1cc2c(s1)CCCN(c1nc3c(cc1-c1nnn[n-]1)CCCC3)C2 ZINC000826518066 608285555 /nfs/dbraw/zinc/28/55/55/608285555.db2.gz ARLBTPKCVROEAE-UHFFFAOYSA-N -1 3 352.467 3.155 20 0 FGADHM c1cc2c(s1)CCCN(c1nc3c(cc1-c1nn[n-]n1)CCCC3)C2 ZINC000826518066 608285557 /nfs/dbraw/zinc/28/55/57/608285557.db2.gz ARLBTPKCVROEAE-UHFFFAOYSA-N -1 3 352.467 3.155 20 0 FGADHM COc1cc(C)ccc1CNc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC000826178324 608296120 /nfs/dbraw/zinc/29/61/20/608296120.db2.gz SQCANZFZUALFBI-UHFFFAOYSA-N -1 3 350.426 3.070 20 0 FGADHM COc1cc(C)ccc1CNc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC000826178324 608296121 /nfs/dbraw/zinc/29/61/21/608296121.db2.gz SQCANZFZUALFBI-UHFFFAOYSA-N -1 3 350.426 3.070 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)c1ccc(F)c(Cl)c1F ZINC000826465981 608321591 /nfs/dbraw/zinc/32/15/91/608321591.db2.gz KTPBKPGTHDNUHU-UHFFFAOYSA-N -1 3 368.702 3.294 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)c1ccc(F)c(Cl)c1F ZINC000826465981 608321593 /nfs/dbraw/zinc/32/15/93/608321593.db2.gz KTPBKPGTHDNUHU-UHFFFAOYSA-N -1 3 368.702 3.294 20 0 FGADHM O=C(OCc1ccccc1-c1nnn[n-]1)c1ccc(F)c(Cl)c1F ZINC000826467198 608321634 /nfs/dbraw/zinc/32/16/34/608321634.db2.gz LDSBXFAVDAZLMU-UHFFFAOYSA-N -1 3 350.712 3.155 20 0 FGADHM O=C(OCc1ccccc1-c1nn[n-]n1)c1ccc(F)c(Cl)c1F ZINC000826467198 608321635 /nfs/dbraw/zinc/32/16/35/608321635.db2.gz LDSBXFAVDAZLMU-UHFFFAOYSA-N -1 3 350.712 3.155 20 0 FGADHM COc1ccc2c(c1)nccc2OCc1ccc(-c2nnn[n-]2)cc1OC ZINC000826212224 608324973 /nfs/dbraw/zinc/32/49/73/608324973.db2.gz KLZWCWTWEMXNOW-UHFFFAOYSA-N -1 3 363.377 3.011 20 0 FGADHM COc1ccc2c(c1)nccc2OCc1ccc(-c2nn[n-]n2)cc1OC ZINC000826212224 608324975 /nfs/dbraw/zinc/32/49/75/608324975.db2.gz KLZWCWTWEMXNOW-UHFFFAOYSA-N -1 3 363.377 3.011 20 0 FGADHM COc1c(C)cc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCC3)cc1C ZINC000826167001 608338962 /nfs/dbraw/zinc/33/89/62/608338962.db2.gz LQEBWVGHEVTVKB-UHFFFAOYSA-N -1 3 369.450 3.295 20 0 FGADHM COc1c(C)cc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)cc1C ZINC000826167001 608338964 /nfs/dbraw/zinc/33/89/64/608338964.db2.gz LQEBWVGHEVTVKB-UHFFFAOYSA-N -1 3 369.450 3.295 20 0 FGADHM CCN(C(=O)c1ccc(N(C)C)cc1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825385537 608347556 /nfs/dbraw/zinc/34/75/56/608347556.db2.gz JSZBEOJXAAJJNG-UHFFFAOYSA-N -1 3 370.844 3.253 20 0 FGADHM CCN(C(=O)c1ccc(N(C)C)cc1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825385537 608347558 /nfs/dbraw/zinc/34/75/58/608347558.db2.gz JSZBEOJXAAJJNG-UHFFFAOYSA-N -1 3 370.844 3.253 20 0 FGADHM CC(C)n1cnnc1[C@@H]1CCCN(c2c(Cl)cccc2-c2nnn[n-]2)C1 ZINC000824377622 608378795 /nfs/dbraw/zinc/37/87/95/608378795.db2.gz IXPSXGCOZKJIEZ-GFCCVEGCSA-N -1 3 372.864 3.077 20 0 FGADHM CC(C)n1cnnc1[C@@H]1CCCN(c2c(Cl)cccc2-c2nn[n-]n2)C1 ZINC000824377622 608378797 /nfs/dbraw/zinc/37/87/97/608378797.db2.gz IXPSXGCOZKJIEZ-GFCCVEGCSA-N -1 3 372.864 3.077 20 0 FGADHM Cc1nnc(SCc2cccc(-c3nnn[n-]3)c2F)n1-c1ccccc1 ZINC000826337727 608395029 /nfs/dbraw/zinc/39/50/29/608395029.db2.gz YYCLKSXHGYUCRD-UHFFFAOYSA-N -1 3 367.413 3.187 20 0 FGADHM Cc1nnc(SCc2cccc(-c3nn[n-]n3)c2F)n1-c1ccccc1 ZINC000826337727 608395031 /nfs/dbraw/zinc/39/50/31/608395031.db2.gz YYCLKSXHGYUCRD-UHFFFAOYSA-N -1 3 367.413 3.187 20 0 FGADHM Cc1cccc(OCCCC(=O)OCc2cccc(-c3nnn[n-]3)c2F)c1 ZINC000826300486 608435657 /nfs/dbraw/zinc/43/56/57/608435657.db2.gz WRFYDRHBOQNRGW-UHFFFAOYSA-N -1 3 370.384 3.217 20 0 FGADHM Cc1cccc(OCCCC(=O)OCc2cccc(-c3nn[n-]n3)c2F)c1 ZINC000826300486 608435658 /nfs/dbraw/zinc/43/56/58/608435658.db2.gz WRFYDRHBOQNRGW-UHFFFAOYSA-N -1 3 370.384 3.217 20 0 FGADHM C[C@H](CC(=O)OCc1cccc(-c2nnn[n-]2)c1F)c1cccc(F)c1 ZINC000824390541 608447832 /nfs/dbraw/zinc/44/78/32/608447832.db2.gz AZVHSDVTSCZRSN-LLVKDONJSA-N -1 3 358.348 3.382 20 0 FGADHM C[C@H](CC(=O)OCc1cccc(-c2nn[n-]n2)c1F)c1cccc(F)c1 ZINC000824390541 608447834 /nfs/dbraw/zinc/44/78/34/608447834.db2.gz AZVHSDVTSCZRSN-LLVKDONJSA-N -1 3 358.348 3.382 20 0 FGADHM CC[C@H](Oc1ccccc1C)C(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000825159219 608451052 /nfs/dbraw/zinc/45/10/52/608451052.db2.gz LHRGJNFTQHMJSY-HNNXBMFYSA-N -1 3 370.384 3.215 20 0 FGADHM CC[C@H](Oc1ccccc1C)C(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000825159219 608451054 /nfs/dbraw/zinc/45/10/54/608451054.db2.gz LHRGJNFTQHMJSY-HNNXBMFYSA-N -1 3 370.384 3.215 20 0 FGADHM O=C(CCc1ccsc1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826409449 608485672 /nfs/dbraw/zinc/48/56/72/608485672.db2.gz ZMYWUAIGFGZFFG-UHFFFAOYSA-N -1 3 365.462 3.177 20 0 FGADHM O=C(CCc1ccsc1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826409449 608485674 /nfs/dbraw/zinc/48/56/74/608485674.db2.gz ZMYWUAIGFGZFFG-UHFFFAOYSA-N -1 3 365.462 3.177 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1cc(F)cc2cccnc21 ZINC000826452826 608496625 /nfs/dbraw/zinc/49/66/25/608496625.db2.gz KGUXRZHIZWQMJU-UHFFFAOYSA-N -1 3 368.759 3.460 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1cc(F)cc2cccnc21 ZINC000826452826 608496626 /nfs/dbraw/zinc/49/66/26/608496626.db2.gz KGUXRZHIZWQMJU-UHFFFAOYSA-N -1 3 368.759 3.460 20 0 FGADHM CSc1cccc(NC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)c1C ZINC000826231135 608516236 /nfs/dbraw/zinc/51/62/36/608516236.db2.gz YNKMNHWNVQGQBA-UHFFFAOYSA-N -1 3 372.429 3.358 20 0 FGADHM CSc1cccc(NC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)c1C ZINC000826231135 608516237 /nfs/dbraw/zinc/51/62/37/608516237.db2.gz YNKMNHWNVQGQBA-UHFFFAOYSA-N -1 3 372.429 3.358 20 0 FGADHM CCCCn1nc(C)c(CN(C)Cc2ccc(-c3nnn[n-]3)cc2)c1Cl ZINC000825300983 608523743 /nfs/dbraw/zinc/52/37/43/608523743.db2.gz GXJVEPQEQGYGQO-UHFFFAOYSA-N -1 3 373.892 3.457 20 0 FGADHM CCCCn1nc(C)c(CN(C)Cc2ccc(-c3nn[n-]n3)cc2)c1Cl ZINC000825300983 608523745 /nfs/dbraw/zinc/52/37/45/608523745.db2.gz GXJVEPQEQGYGQO-UHFFFAOYSA-N -1 3 373.892 3.457 20 0 FGADHM CN(Cc1nc2ccc(Cl)cc2n1C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000825961102 608524610 /nfs/dbraw/zinc/52/46/10/608524610.db2.gz ATABFKCQHXYFQV-UHFFFAOYSA-N -1 3 367.844 3.039 20 0 FGADHM CN(Cc1nc2ccc(Cl)cc2n1C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000825961102 608524612 /nfs/dbraw/zinc/52/46/12/608524612.db2.gz ATABFKCQHXYFQV-UHFFFAOYSA-N -1 3 367.844 3.039 20 0 FGADHM c1cc(-c2nc(CNC3(c4cccc(-c5nn[n-]n5)c4)CC3)cs2)co1 ZINC000826513607 608533233 /nfs/dbraw/zinc/53/32/33/608533233.db2.gz QFLWWNLFQBRXMU-UHFFFAOYSA-N -1 3 364.434 3.362 20 0 FGADHM CCc1ccnc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCC3)c1 ZINC000825728771 608539895 /nfs/dbraw/zinc/53/98/95/608539895.db2.gz ZACRXTHAZCZYDO-UHFFFAOYSA-N -1 3 368.466 3.407 20 0 FGADHM CCc1ccnc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCC3)c1 ZINC000825728771 608539896 /nfs/dbraw/zinc/53/98/96/608539896.db2.gz ZACRXTHAZCZYDO-UHFFFAOYSA-N -1 3 368.466 3.407 20 0 FGADHM CC(C)(F)C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000824163085 608541522 /nfs/dbraw/zinc/54/15/22/608541522.db2.gz XYBGNYIMIJKPPB-UHFFFAOYSA-N -1 3 373.363 3.271 20 0 FGADHM CC(C)(F)C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000824163085 608541524 /nfs/dbraw/zinc/54/15/24/608541524.db2.gz XYBGNYIMIJKPPB-UHFFFAOYSA-N -1 3 373.363 3.271 20 0 FGADHM c1ccc2nc(N3CCC(c4cccnc4)CC3)c(-c3nnn[n-]3)cc2c1 ZINC000826525270 608554005 /nfs/dbraw/zinc/55/40/05/608554005.db2.gz CTJJNDURTOQXDE-UHFFFAOYSA-N -1 3 357.421 3.194 20 0 FGADHM c1ccc2nc(N3CCC(c4cccnc4)CC3)c(-c3nn[n-]n3)cc2c1 ZINC000826525270 608554007 /nfs/dbraw/zinc/55/40/07/608554007.db2.gz CTJJNDURTOQXDE-UHFFFAOYSA-N -1 3 357.421 3.194 20 0 FGADHM COCCN(Cc1cscc1Cl)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000826159216 608567709 /nfs/dbraw/zinc/56/77/09/608567709.db2.gz WWMGCWORINJLKJ-UHFFFAOYSA-N -1 3 363.874 3.230 20 0 FGADHM COCCN(Cc1cscc1Cl)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826159216 608567710 /nfs/dbraw/zinc/56/77/10/608567710.db2.gz WWMGCWORINJLKJ-UHFFFAOYSA-N -1 3 363.874 3.230 20 0 FGADHM O=C(Nc1ccc(F)c(F)c1F)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826454477 608574267 /nfs/dbraw/zinc/57/42/67/608574267.db2.gz YFCBVLXDBWYTMN-UHFFFAOYSA-N -1 3 353.691 3.190 20 0 FGADHM O=C(Nc1ccc(F)c(F)c1F)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826454477 608574269 /nfs/dbraw/zinc/57/42/69/608574269.db2.gz YFCBVLXDBWYTMN-UHFFFAOYSA-N -1 3 353.691 3.190 20 0 FGADHM Cc1cnc([C@@H](NC(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)C2CC2)s1 ZINC000826317368 608577283 /nfs/dbraw/zinc/57/72/83/608577283.db2.gz AJHUKECPIVBXBH-ZDUSSCGKSA-N -1 3 374.857 3.166 20 0 FGADHM Cc1cnc([C@@H](NC(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)C2CC2)s1 ZINC000826317368 608577285 /nfs/dbraw/zinc/57/72/85/608577285.db2.gz AJHUKECPIVBXBH-ZDUSSCGKSA-N -1 3 374.857 3.166 20 0 FGADHM Fc1ccc(CN(Cc2cccc(-c3nnn[n-]3)c2F)C2CC2)c(F)c1 ZINC000826373950 608645767 /nfs/dbraw/zinc/64/57/67/608645767.db2.gz GLXGUIHEPOYZCH-UHFFFAOYSA-N -1 3 359.355 3.449 20 0 FGADHM Fc1ccc(CN(Cc2cccc(-c3nn[n-]n3)c2F)C2CC2)c(F)c1 ZINC000826373950 608645770 /nfs/dbraw/zinc/64/57/70/608645770.db2.gz GLXGUIHEPOYZCH-UHFFFAOYSA-N -1 3 359.355 3.449 20 0 FGADHM Fc1c(CSc2ccc(Br)cn2)cccc1-c1nnn[n-]1 ZINC000826370705 608672275 /nfs/dbraw/zinc/67/22/75/608672275.db2.gz DYMXGZPAEYIFAM-UHFFFAOYSA-N -1 3 366.219 3.456 20 0 FGADHM Fc1c(CSc2ccc(Br)cn2)cccc1-c1nn[n-]n1 ZINC000826370705 608672278 /nfs/dbraw/zinc/67/22/78/608672278.db2.gz DYMXGZPAEYIFAM-UHFFFAOYSA-N -1 3 366.219 3.456 20 0 FGADHM CCc1ccc(N[C@H](C(=O)OC)c2cccc(-c3nnn[n-]3)c2)cc1C ZINC000825717416 608753704 /nfs/dbraw/zinc/75/37/04/608753704.db2.gz KARLBDDETORDJM-KRWDZBQOSA-N -1 3 351.410 3.064 20 0 FGADHM CCc1ccc(N[C@H](C(=O)OC)c2cccc(-c3nn[n-]n3)c2)cc1C ZINC000825717416 608753705 /nfs/dbraw/zinc/75/37/05/608753705.db2.gz KARLBDDETORDJM-KRWDZBQOSA-N -1 3 351.410 3.064 20 0 FGADHM CCc1ccc(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000825712617 608764280 /nfs/dbraw/zinc/76/42/80/608764280.db2.gz SNQMVQLDYCOXAE-UHFFFAOYSA-N -1 3 353.451 3.468 20 0 FGADHM CCc1ccc(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000825712617 608764284 /nfs/dbraw/zinc/76/42/84/608764284.db2.gz SNQMVQLDYCOXAE-UHFFFAOYSA-N -1 3 353.451 3.468 20 0 FGADHM COc1ccc(CCC2CCN(c3cnccc3-c3nnn[n-]3)CC2)cc1 ZINC000826191762 608769585 /nfs/dbraw/zinc/76/95/85/608769585.db2.gz PEPWWSZBFHPILA-UHFFFAOYSA-N -1 3 364.453 3.120 20 0 FGADHM COc1ccc(CCC2CCN(c3cnccc3-c3nn[n-]n3)CC2)cc1 ZINC000826191762 608769586 /nfs/dbraw/zinc/76/95/86/608769586.db2.gz PEPWWSZBFHPILA-UHFFFAOYSA-N -1 3 364.453 3.120 20 0 FGADHM C[C@@H]1C[C@H]1c1ccc(CN2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)o1 ZINC000824900443 608853657 /nfs/dbraw/zinc/85/36/57/608853657.db2.gz VEMDXAYTVQKRCX-XVSDVWIESA-N -1 3 365.437 3.157 20 0 FGADHM C[C@@H]1C[C@H]1c1ccc(CN2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)o1 ZINC000824900443 608853660 /nfs/dbraw/zinc/85/36/60/608853660.db2.gz VEMDXAYTVQKRCX-XVSDVWIESA-N -1 3 365.437 3.157 20 0 FGADHM CCOc1c(CNc2ccc(-c3nn[n-]n3)cc2)c(C)nn1CC(C)C ZINC000825604705 608868596 /nfs/dbraw/zinc/86/85/96/608868596.db2.gz KDKHUKCMVBXHGZ-UHFFFAOYSA-N -1 3 355.446 3.038 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCC[C@H]1/C=C/c1ccccc1 ZINC000826245474 609138317 /nfs/dbraw/zinc/13/83/17/609138317.db2.gz ZDCUGSJIBSXBSO-CKDFRHGISA-N -1 3 359.433 3.493 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCC[C@H]1/C=C/c1ccccc1 ZINC000826245474 609138318 /nfs/dbraw/zinc/13/83/18/609138318.db2.gz ZDCUGSJIBSXBSO-CKDFRHGISA-N -1 3 359.433 3.493 20 0 FGADHM C[C@H](NCc1cccc(OC(C)(C)C)n1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824617939 609155902 /nfs/dbraw/zinc/15/59/02/609155902.db2.gz LVVIUYGBFNYGJC-LBPRGKRZSA-N -1 3 370.432 3.429 20 0 FGADHM C[C@H](NCc1cccc(OC(C)(C)C)n1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824617939 609155904 /nfs/dbraw/zinc/15/59/04/609155904.db2.gz LVVIUYGBFNYGJC-LBPRGKRZSA-N -1 3 370.432 3.429 20 0 FGADHM COc1ccc(N[C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)c(OC)c1 ZINC000826210536 609158624 /nfs/dbraw/zinc/15/86/24/609158624.db2.gz VQWKOPGUACKSKP-INIZCTEOSA-N -1 3 351.410 3.373 20 0 FGADHM COc1ccc(N[C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)c(OC)c1 ZINC000826210536 609158625 /nfs/dbraw/zinc/15/86/25/609158625.db2.gz VQWKOPGUACKSKP-INIZCTEOSA-N -1 3 351.410 3.373 20 0 FGADHM FC(F)(F)c1ccc(N2CCC[C@H]2C2CCOCC2)c(-c2nnn[n-]2)c1 ZINC000826368116 609170108 /nfs/dbraw/zinc/17/01/08/609170108.db2.gz CGCUIHAXDGUQQV-AWEZNQCLSA-N -1 3 367.375 3.281 20 0 FGADHM FC(F)(F)c1ccc(N2CCC[C@H]2C2CCOCC2)c(-c2nn[n-]n2)c1 ZINC000826368116 609170109 /nfs/dbraw/zinc/17/01/09/609170109.db2.gz CGCUIHAXDGUQQV-AWEZNQCLSA-N -1 3 367.375 3.281 20 0 FGADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N[C@@H]1CCO[C@@H](CC(C)C)C1 ZINC000826304748 609172166 /nfs/dbraw/zinc/17/21/66/609172166.db2.gz WREMYMADTZSRCN-CABCVRRESA-N -1 3 366.469 3.151 20 0 FGADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N[C@@H]1CCO[C@@H](CC(C)C)C1 ZINC000826304748 609172168 /nfs/dbraw/zinc/17/21/68/609172168.db2.gz WREMYMADTZSRCN-CABCVRRESA-N -1 3 366.469 3.151 20 0 FGADHM CCNc1ccc(-c2nn[n-]n2)cc1NCCOc1ccc(OCC)cc1 ZINC000825480981 609177713 /nfs/dbraw/zinc/17/77/13/609177713.db2.gz PFRAAQFQEZUHGI-UHFFFAOYSA-N -1 3 368.441 3.188 20 0 FGADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1c(Cl)cccc1Cl ZINC000824420945 609206001 /nfs/dbraw/zinc/20/60/01/609206001.db2.gz QSYCRPUWRQCENL-MRVPVSSYSA-N -1 3 365.224 3.035 20 0 FGADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1c(Cl)cccc1Cl ZINC000824420945 609206003 /nfs/dbraw/zinc/20/60/03/609206003.db2.gz QSYCRPUWRQCENL-MRVPVSSYSA-N -1 3 365.224 3.035 20 0 FGADHM O=C(NC1(c2ccc(Cl)cc2)CCCC1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826427217 609207666 /nfs/dbraw/zinc/20/76/66/609207666.db2.gz JRIUVFDBMVSYII-UHFFFAOYSA-N -1 3 356.817 3.048 20 0 FGADHM O=C(NC1(c2ccc(Cl)cc2)CCCC1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826427217 609207667 /nfs/dbraw/zinc/20/76/67/609207667.db2.gz JRIUVFDBMVSYII-UHFFFAOYSA-N -1 3 356.817 3.048 20 0 FGADHM CCN(C(=O)Cc1ccccc1SC)c1ccc(-c2nnn[n-]2)cc1 ZINC000825376535 609208023 /nfs/dbraw/zinc/20/80/23/609208023.db2.gz IUHATNDSYPMFGR-UHFFFAOYSA-N -1 3 353.451 3.184 20 0 FGADHM CCN(C(=O)Cc1ccccc1SC)c1ccc(-c2nn[n-]n2)cc1 ZINC000825376535 609208024 /nfs/dbraw/zinc/20/80/24/609208024.db2.gz IUHATNDSYPMFGR-UHFFFAOYSA-N -1 3 353.451 3.184 20 0 FGADHM CC(=O)c1ccc(C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c(F)c1 ZINC000824019608 609233396 /nfs/dbraw/zinc/23/33/96/609233396.db2.gz IISYFNQDPQMQHM-LLVKDONJSA-N -1 3 354.341 3.126 20 0 FGADHM CC(=O)c1ccc(C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c(F)c1 ZINC000824019608 609233397 /nfs/dbraw/zinc/23/33/97/609233397.db2.gz IISYFNQDPQMQHM-LLVKDONJSA-N -1 3 354.341 3.126 20 0 FGADHM Cc1cc(C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)nn1[C@H](C)C1CC1 ZINC000826260776 609234106 /nfs/dbraw/zinc/23/41/06/609234106.db2.gz DNJSMBLUFCWQJR-CHWSQXEVSA-N -1 3 366.425 3.261 20 0 FGADHM Cc1cc(C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)nn1[C@H](C)C1CC1 ZINC000826260776 609234107 /nfs/dbraw/zinc/23/41/07/609234107.db2.gz DNJSMBLUFCWQJR-CHWSQXEVSA-N -1 3 366.425 3.261 20 0 FGADHM COc1cc(N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)ccc1NC(C)=O ZINC000826180533 609267296 /nfs/dbraw/zinc/26/72/96/609267296.db2.gz LPJWHFQBXVWBGI-NSHDSACASA-N -1 3 352.398 3.007 20 0 FGADHM COc1cc(N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)ccc1NC(C)=O ZINC000826180533 609267298 /nfs/dbraw/zinc/26/72/98/609267298.db2.gz LPJWHFQBXVWBGI-NSHDSACASA-N -1 3 352.398 3.007 20 0 FGADHM COCCn1ncc2ccc(N[C@H](C)c3ccc(-c4nnn[n-]4)cc3)cc21 ZINC000826163654 609276712 /nfs/dbraw/zinc/27/67/12/609276712.db2.gz FEGAMXALIISJCS-CYBMUJFWSA-N -1 3 363.425 3.036 20 0 FGADHM COCCn1ncc2ccc(N[C@H](C)c3ccc(-c4nn[n-]n4)cc3)cc21 ZINC000826163654 609276713 /nfs/dbraw/zinc/27/67/13/609276713.db2.gz FEGAMXALIISJCS-CYBMUJFWSA-N -1 3 363.425 3.036 20 0 FGADHM C[C@@H](Nc1ccccc1SCCC(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824662668 609278043 /nfs/dbraw/zinc/27/80/43/609278043.db2.gz PDCLYSBNMPYJBE-GFCCVEGCSA-N -1 3 368.466 3.007 20 0 FGADHM C[C@@H](Nc1ccccc1SCCC(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824662668 609278045 /nfs/dbraw/zinc/27/80/45/609278045.db2.gz PDCLYSBNMPYJBE-GFCCVEGCSA-N -1 3 368.466 3.007 20 0 FGADHM C[C@@H](Nc1ccc(N2CCO[C@H](C)C2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824992246 609279934 /nfs/dbraw/zinc/27/99/34/609279934.db2.gz LCJVHCYQVPJJOA-HUUCEWRRSA-N -1 3 364.453 3.265 20 0 FGADHM C[C@@H](Nc1ccc(N2CCO[C@H](C)C2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824992246 609279936 /nfs/dbraw/zinc/27/99/36/609279936.db2.gz LCJVHCYQVPJJOA-HUUCEWRRSA-N -1 3 364.453 3.265 20 0 FGADHM CCCC1(C(=O)Nc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)CCC1 ZINC000825247409 609290667 /nfs/dbraw/zinc/29/06/67/609290667.db2.gz CZBVNOUVLBTHGE-UHFFFAOYSA-N -1 3 369.404 3.100 20 0 FGADHM CCN(C(=O)C=Cc1ccc(C)nc1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367434 609297772 /nfs/dbraw/zinc/29/77/72/609297772.db2.gz PXGYBYPPNVQBPU-BLMSOEDDSA-N -1 3 362.437 3.193 20 0 FGADHM CCN(C(=O)C=Cc1ccc(C)nc1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367434 609297774 /nfs/dbraw/zinc/29/77/74/609297774.db2.gz PXGYBYPPNVQBPU-BLMSOEDDSA-N -1 3 362.437 3.193 20 0 FGADHM CN(C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)[C@H]1CCc2ccccc2C1 ZINC000825829886 609300156 /nfs/dbraw/zinc/30/01/56/609300156.db2.gz JWZGINXPYCWKFN-HNNXBMFYSA-N -1 3 367.840 3.150 20 0 FGADHM CN(C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)[C@H]1CCc2ccccc2C1 ZINC000825829886 609300157 /nfs/dbraw/zinc/30/01/57/609300157.db2.gz JWZGINXPYCWKFN-HNNXBMFYSA-N -1 3 367.840 3.150 20 0 FGADHM Brc1ccc(OCc2ccc3c(c2)COC3)c(-c2nnn[n-]2)c1 ZINC000823831989 609310219 /nfs/dbraw/zinc/31/02/19/609310219.db2.gz HWPXVRQMAJOJKB-UHFFFAOYSA-N -1 3 373.210 3.238 20 0 FGADHM Brc1ccc(OCc2ccc3c(c2)COC3)c(-c2nn[n-]n2)c1 ZINC000823831989 609310220 /nfs/dbraw/zinc/31/02/20/609310220.db2.gz HWPXVRQMAJOJKB-UHFFFAOYSA-N -1 3 373.210 3.238 20 0 FGADHM Fc1cccc(OCc2ccc(-c3nnn[n-]3)cc2Br)c1F ZINC000826378159 609311480 /nfs/dbraw/zinc/31/14/80/609311480.db2.gz YLWKURWXPNEMLT-UHFFFAOYSA-N -1 3 367.153 3.486 20 0 FGADHM Fc1cccc(OCc2ccc(-c3nn[n-]n3)cc2Br)c1F ZINC000826378159 609311482 /nfs/dbraw/zinc/31/14/82/609311482.db2.gz YLWKURWXPNEMLT-UHFFFAOYSA-N -1 3 367.153 3.486 20 0 FGADHM O=C(Nc1cccnc1)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826457509 609311865 /nfs/dbraw/zinc/31/18/65/609311865.db2.gz FDQSOPYFQLDZCH-UHFFFAOYSA-N -1 3 358.361 3.306 20 0 FGADHM O=C(Nc1cccnc1)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826457509 609311867 /nfs/dbraw/zinc/31/18/67/609311867.db2.gz FDQSOPYFQLDZCH-UHFFFAOYSA-N -1 3 358.361 3.306 20 0 FGADHM CC[C@@H](C)n1nc(C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)cc1C ZINC000825081329 609314345 /nfs/dbraw/zinc/31/43/45/609314345.db2.gz INIYTTHIXNSDAZ-LLVKDONJSA-N -1 3 370.461 3.151 20 0 FGADHM CC[C@@H](C)n1nc(C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)cc1C ZINC000825081329 609314347 /nfs/dbraw/zinc/31/43/47/609314347.db2.gz INIYTTHIXNSDAZ-LLVKDONJSA-N -1 3 370.461 3.151 20 0 FGADHM CC(C)(C)C[C@@H](NC(=O)Nc1cccc(-c2nnn[n-]2)c1)C(F)(F)F ZINC000824085494 609334595 /nfs/dbraw/zinc/33/45/95/609334595.db2.gz DRXMELYLHPWQRE-LLVKDONJSA-N -1 3 356.352 3.355 20 0 FGADHM CC(C)(C)C[C@@H](NC(=O)Nc1cccc(-c2nn[n-]n2)c1)C(F)(F)F ZINC000824085494 609334597 /nfs/dbraw/zinc/33/45/97/609334597.db2.gz DRXMELYLHPWQRE-LLVKDONJSA-N -1 3 356.352 3.355 20 0 FGADHM Cc1ccc(NCc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000826291525 609336957 /nfs/dbraw/zinc/33/69/57/609336957.db2.gz KBWPYNJBQOARLN-UHFFFAOYSA-N -1 3 359.437 3.496 20 0 FGADHM Cc1ccc(NCc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000826291525 609336959 /nfs/dbraw/zinc/33/69/59/609336959.db2.gz KBWPYNJBQOARLN-UHFFFAOYSA-N -1 3 359.437 3.496 20 0 FGADHM C[C@@H](NCc1cccc2c1OCCCO2)c1ccc(-c2nnn[n-]2)cc1F ZINC000824618244 609343941 /nfs/dbraw/zinc/34/39/41/609343941.db2.gz NTECXVRUQBRJFD-GFCCVEGCSA-N -1 3 369.400 3.018 20 0 FGADHM C[C@@H](NCc1cccc2c1OCCCO2)c1ccc(-c2nn[n-]n2)cc1F ZINC000824618244 609343943 /nfs/dbraw/zinc/34/39/43/609343943.db2.gz NTECXVRUQBRJFD-GFCCVEGCSA-N -1 3 369.400 3.018 20 0 FGADHM C[C@@H](NC1(c2ccc3c(c2)OCO3)CC1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824540461 609347616 /nfs/dbraw/zinc/34/76/16/609347616.db2.gz YLIKBJBQKGTVKB-LLVKDONJSA-N -1 3 367.384 3.074 20 0 FGADHM COCC[C@@H](N[C@H](C)c1ccc(-c2nnn[n-]2)cc1F)c1ccc(C)o1 ZINC000826154308 609349665 /nfs/dbraw/zinc/34/96/65/609349665.db2.gz MKGXVSYNMJGKFX-MLGOLLRUSA-N -1 3 359.405 3.336 20 0 FGADHM COCC[C@@H](N[C@H](C)c1ccc(-c2nn[n-]n2)cc1F)c1ccc(C)o1 ZINC000826154308 609349666 /nfs/dbraw/zinc/34/96/66/609349666.db2.gz MKGXVSYNMJGKFX-MLGOLLRUSA-N -1 3 359.405 3.336 20 0 FGADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)N[C@@H](CC1CCC1)c1ccccc1 ZINC000826422452 609350611 /nfs/dbraw/zinc/35/06/11/609350611.db2.gz ZJKYRIGHWMILKO-IBGZPJMESA-N -1 3 361.449 3.457 20 0 FGADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)N[C@@H](CC1CCC1)c1ccccc1 ZINC000826422452 609350613 /nfs/dbraw/zinc/35/06/13/609350613.db2.gz ZJKYRIGHWMILKO-IBGZPJMESA-N -1 3 361.449 3.457 20 0 FGADHM CCC(=O)[C@H](C)OC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000825028408 609351276 /nfs/dbraw/zinc/35/12/76/609351276.db2.gz HYWNCMSVGBIXCR-LBPRGKRZSA-N -1 3 366.377 3.183 20 0 FGADHM CCC(=O)[C@H](C)OC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000825028408 609351277 /nfs/dbraw/zinc/35/12/77/609351277.db2.gz HYWNCMSVGBIXCR-LBPRGKRZSA-N -1 3 366.377 3.183 20 0 FGADHM O=C(OCC(F)(F)F)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826462667 609352876 /nfs/dbraw/zinc/35/28/76/609352876.db2.gz FCUGJHRLXBILKC-UHFFFAOYSA-N -1 3 364.283 3.378 20 0 FGADHM O=C(OCC(F)(F)F)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826462667 609352878 /nfs/dbraw/zinc/35/28/78/609352878.db2.gz FCUGJHRLXBILKC-UHFFFAOYSA-N -1 3 364.283 3.378 20 0 FGADHM C[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCc2c(ncn2-c2ccccc2)C1 ZINC000824764916 609367620 /nfs/dbraw/zinc/36/76/20/609367620.db2.gz ZWIHNEIMGMKTLY-HNNXBMFYSA-N -1 3 371.448 3.172 20 0 FGADHM c1cc(COc2ccc(N[C@H]3CCCOC3)cc2)cc(-c2nnn[n-]2)c1 ZINC000826516394 609369562 /nfs/dbraw/zinc/36/95/62/609369562.db2.gz IXYXLFRYYPLNGS-KRWDZBQOSA-N -1 3 351.410 3.037 20 0 FGADHM c1cc(COc2ccc(N[C@H]3CCCOC3)cc2)cc(-c2nn[n-]n2)c1 ZINC000826516394 609369563 /nfs/dbraw/zinc/36/95/63/609369563.db2.gz IXYXLFRYYPLNGS-KRWDZBQOSA-N -1 3 351.410 3.037 20 0 FGADHM O=C(c1ccccc1Oc1ccccc1-c1nnn[n-]1)N1C[C@@H]2CCC[C@@H]21 ZINC000826474097 609384511 /nfs/dbraw/zinc/38/45/11/609384511.db2.gz ACEPAVTUCFZIAH-BBRMVZONSA-N -1 3 361.405 3.284 20 0 FGADHM O=C(c1ccccc1Oc1ccccc1-c1nn[n-]n1)N1C[C@@H]2CCC[C@@H]21 ZINC000826474097 609384513 /nfs/dbraw/zinc/38/45/13/609384513.db2.gz ACEPAVTUCFZIAH-BBRMVZONSA-N -1 3 361.405 3.284 20 0 FGADHM C[C@H](OC(=O)c1ccc(OC(C)(C)C)nc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824722108 609385197 /nfs/dbraw/zinc/38/51/97/609385197.db2.gz GMEVFYWFIIZRQQ-LBPRGKRZSA-N -1 3 367.409 3.357 20 0 FGADHM C[C@H](OC(=O)c1ccc(OC(C)(C)C)nc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824722108 609385198 /nfs/dbraw/zinc/38/51/98/609385198.db2.gz GMEVFYWFIIZRQQ-LBPRGKRZSA-N -1 3 367.409 3.357 20 0 FGADHM C[C@@H]1CC[C@]2(CCN(c3nc(C(F)(F)F)ccc3-c3nnn[n-]3)C2)C1 ZINC000824919575 609390230 /nfs/dbraw/zinc/39/02/30/609390230.db2.gz WNAKDEKFDBLTFW-BMIGLBTASA-N -1 3 352.364 3.297 20 0 FGADHM C[C@@H]1CC[C@]2(CCN(c3nc(C(F)(F)F)ccc3-c3nn[n-]n3)C2)C1 ZINC000824919575 609390231 /nfs/dbraw/zinc/39/02/31/609390231.db2.gz WNAKDEKFDBLTFW-BMIGLBTASA-N -1 3 352.364 3.297 20 0 FGADHM C[C@H]1CC[C@@]2(CCN(c3nc(C(F)(F)F)ccc3-c3nnn[n-]3)C2)C1 ZINC000824919578 609390261 /nfs/dbraw/zinc/39/02/61/609390261.db2.gz WNAKDEKFDBLTFW-ZUZCIYMTSA-N -1 3 352.364 3.297 20 0 FGADHM C[C@H]1CC[C@@]2(CCN(c3nc(C(F)(F)F)ccc3-c3nn[n-]n3)C2)C1 ZINC000824919578 609390262 /nfs/dbraw/zinc/39/02/62/609390262.db2.gz WNAKDEKFDBLTFW-ZUZCIYMTSA-N -1 3 352.364 3.297 20 0 FGADHM Cc1conc1NC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826320577 609391155 /nfs/dbraw/zinc/39/11/55/609391155.db2.gz WGOFNALZGYAMKZ-UHFFFAOYSA-N -1 3 362.349 3.208 20 0 FGADHM Cc1conc1NC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826320577 609391158 /nfs/dbraw/zinc/39/11/58/609391158.db2.gz WGOFNALZGYAMKZ-UHFFFAOYSA-N -1 3 362.349 3.208 20 0 FGADHM Cc1ccc(COc2cccc(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)c2)cc1 ZINC000826288697 609459321 /nfs/dbraw/zinc/45/93/21/609459321.db2.gz SJENSPSLLHKBDG-UHFFFAOYSA-N -1 3 374.404 3.335 20 0 FGADHM Cc1ccc(COc2cccc(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)c2)cc1 ZINC000826288697 609459324 /nfs/dbraw/zinc/45/93/24/609459324.db2.gz SJENSPSLLHKBDG-UHFFFAOYSA-N -1 3 374.404 3.335 20 0 FGADHM FC(F)(F)[C@H]1CCC[C@H](Nc2nc3ccccn3c2-c2nnn[n-]2)C1 ZINC000826367170 609460601 /nfs/dbraw/zinc/46/06/01/609460601.db2.gz OJZCTNTZGFULNA-UWVGGRQHSA-N -1 3 351.336 3.047 20 0 FGADHM FC(F)(F)[C@H]1CCC[C@H](Nc2nc3ccccn3c2-c2nn[n-]n2)C1 ZINC000826367170 609460602 /nfs/dbraw/zinc/46/06/02/609460602.db2.gz OJZCTNTZGFULNA-UWVGGRQHSA-N -1 3 351.336 3.047 20 0 FGADHM CC(C)Oc1cccc([C@@H](C)Nc2nc3ccccn3c2-c2nnn[n-]2)c1 ZINC000824333417 609460959 /nfs/dbraw/zinc/46/09/59/609460959.db2.gz JMGPKRMWVILOAD-CYBMUJFWSA-N -1 3 363.425 3.475 20 0 FGADHM CC(C)Oc1cccc([C@@H](C)Nc2nc3ccccn3c2-c2nn[n-]n2)c1 ZINC000824333417 609460961 /nfs/dbraw/zinc/46/09/61/609460961.db2.gz JMGPKRMWVILOAD-CYBMUJFWSA-N -1 3 363.425 3.475 20 0 FGADHM Clc1ccc2c(c1)CC[C@@H]2Nc1nc2ccccn2c1-c1nnn[n-]1 ZINC000826352575 609464899 /nfs/dbraw/zinc/46/48/99/609464899.db2.gz GGASQQASBQJYDB-ZDUSSCGKSA-N -1 3 351.801 3.267 20 0 FGADHM Clc1ccc2c(c1)CC[C@@H]2Nc1nc2ccccn2c1-c1nn[n-]n1 ZINC000826352575 609464902 /nfs/dbraw/zinc/46/49/02/609464902.db2.gz GGASQQASBQJYDB-ZDUSSCGKSA-N -1 3 351.801 3.267 20 0 FGADHM CC(C)n1ncc2cc(CNc3cccc(-c4nnn[n-]4)c3)c(Cl)nc21 ZINC000824377454 609472096 /nfs/dbraw/zinc/47/20/96/609472096.db2.gz FJKYMWUWXWQUOB-UHFFFAOYSA-N -1 3 368.832 3.458 20 0 FGADHM CC(C)n1ncc2cc(CNc3cccc(-c4nn[n-]n4)c3)c(Cl)nc21 ZINC000824377454 609472097 /nfs/dbraw/zinc/47/20/97/609472097.db2.gz FJKYMWUWXWQUOB-UHFFFAOYSA-N -1 3 368.832 3.458 20 0 FGADHM COCc1ccc(CNc2cc(-c3nnn[n-]3)ccc2OC(C)C)cc1 ZINC000826164634 609479007 /nfs/dbraw/zinc/47/90/07/609479007.db2.gz JKZCWDYOTCAOFT-UHFFFAOYSA-N -1 3 353.426 3.412 20 0 FGADHM COCc1ccc(CNc2cc(-c3nn[n-]n3)ccc2OC(C)C)cc1 ZINC000826164634 609479008 /nfs/dbraw/zinc/47/90/08/609479008.db2.gz JKZCWDYOTCAOFT-UHFFFAOYSA-N -1 3 353.426 3.412 20 0 FGADHM Cc1c(NCc2ccc(OC[C@@H]3CCCO3)cc2)cccc1-c1nnn[n-]1 ZINC000826242208 609485706 /nfs/dbraw/zinc/48/57/06/609485706.db2.gz FNYRMUGDFJYNCC-KRWDZBQOSA-N -1 3 365.437 3.345 20 0 FGADHM Cc1c(NCc2ccc(OC[C@@H]3CCCO3)cc2)cccc1-c1nn[n-]n1 ZINC000826242208 609485709 /nfs/dbraw/zinc/48/57/09/609485709.db2.gz FNYRMUGDFJYNCC-KRWDZBQOSA-N -1 3 365.437 3.345 20 0 FGADHM CCOC(=O)Nc1ccc(NCc2cc(C)ccc2F)cc1-c1nnn[n-]1 ZINC000825553194 609488222 /nfs/dbraw/zinc/48/82/22/609488222.db2.gz MFDAGODZYDDHEK-UHFFFAOYSA-N -1 3 370.388 3.495 20 0 FGADHM CCOC(=O)Nc1ccc(NCc2cc(C)ccc2F)cc1-c1nn[n-]n1 ZINC000825553194 609488224 /nfs/dbraw/zinc/48/82/24/609488224.db2.gz MFDAGODZYDDHEK-UHFFFAOYSA-N -1 3 370.388 3.495 20 0 FGADHM Brc1ccc(Cn2ccc(-c3nnn[n-]3)c2)c2ncccc12 ZINC000823827070 609503294 /nfs/dbraw/zinc/50/32/94/609503294.db2.gz SXOXMINIBRGXQN-UHFFFAOYSA-N -1 3 355.199 3.027 20 0 FGADHM Brc1ccc(Cn2ccc(-c3nn[n-]n3)c2)c2ncccc12 ZINC000823827070 609503295 /nfs/dbraw/zinc/50/32/95/609503295.db2.gz SXOXMINIBRGXQN-UHFFFAOYSA-N -1 3 355.199 3.027 20 0 FGADHM CCC[C@@H]1C[C@H](C(=O)N(CC)[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000825251247 609523770 /nfs/dbraw/zinc/52/37/70/609523770.db2.gz BJGAQMNNJMNKJO-BMGDILEWSA-N -1 3 371.485 3.372 20 0 FGADHM CCC[C@@H]1C[C@H](C(=O)N(CC)[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000825251247 609523771 /nfs/dbraw/zinc/52/37/71/609523771.db2.gz BJGAQMNNJMNKJO-BMGDILEWSA-N -1 3 371.485 3.372 20 0 FGADHM Cc1ccnc(N[C@H](C)c2nc3ccccc3n2C(F)F)c1-c1nnn[n-]1 ZINC000826311983 609527354 /nfs/dbraw/zinc/52/73/54/609527354.db2.gz SBHLJUPPVAIPNH-SNVBAGLBSA-N -1 3 370.367 3.488 20 0 FGADHM Cc1ccnc(N[C@H](C)c2nc3ccccc3n2C(F)F)c1-c1nn[n-]n1 ZINC000826311983 609527355 /nfs/dbraw/zinc/52/73/55/609527355.db2.gz SBHLJUPPVAIPNH-SNVBAGLBSA-N -1 3 370.367 3.488 20 0 FGADHM Cc1c(Cl)cnc(NC[C@@H]2CCCO[C@@H]2C(C)(C)C)c1-c1nnn[n-]1 ZINC000826239646 609557084 /nfs/dbraw/zinc/55/70/84/609557084.db2.gz MURFLTZSMDMXKQ-FZMZJTMJSA-N -1 3 364.881 3.477 20 0 FGADHM Cc1c(Cl)cnc(NC[C@@H]2CCCO[C@@H]2C(C)(C)C)c1-c1nn[n-]n1 ZINC000826239646 609557085 /nfs/dbraw/zinc/55/70/85/609557085.db2.gz MURFLTZSMDMXKQ-FZMZJTMJSA-N -1 3 364.881 3.477 20 0 FGADHM C[C@H](Nc1nnc(Cc2ccccc2)s1)c1cccc(-c2nnn[n-]2)c1 ZINC000824670616 609561900 /nfs/dbraw/zinc/56/19/00/609561900.db2.gz SKGGIVADSSARDA-LBPRGKRZSA-N -1 3 363.450 3.482 20 0 FGADHM C[C@H](Nc1nnc(Cc2ccccc2)s1)c1cccc(-c2nn[n-]n2)c1 ZINC000824670616 609561902 /nfs/dbraw/zinc/56/19/02/609561902.db2.gz SKGGIVADSSARDA-LBPRGKRZSA-N -1 3 363.450 3.482 20 0 FGADHM Cc1ccc([C@@H]2OCCC[C@@H]2CNc2nccc(C)c2-c2nnn[n-]2)cc1 ZINC000826285565 609564103 /nfs/dbraw/zinc/56/41/03/609564103.db2.gz CWXBDJOYBKSBFW-AEFFLSMTSA-N -1 3 364.453 3.458 20 0 FGADHM Cc1ccc([C@@H]2OCCC[C@@H]2CNc2nccc(C)c2-c2nn[n-]n2)cc1 ZINC000826285565 609564105 /nfs/dbraw/zinc/56/41/05/609564105.db2.gz CWXBDJOYBKSBFW-AEFFLSMTSA-N -1 3 364.453 3.458 20 0 FGADHM Cc1ccc(C)c([C@H]2CN(c3nccc(C)c3-c3nnn[n-]3)[C@H](C)CO2)c1 ZINC000826284793 609570525 /nfs/dbraw/zinc/57/05/25/609570525.db2.gz GFIBEBFICJHPNB-NVXWUHKLSA-N -1 3 364.453 3.153 20 0 FGADHM Cc1ccc(C)c([C@H]2CN(c3nccc(C)c3-c3nn[n-]n3)[C@H](C)CO2)c1 ZINC000826284793 609570526 /nfs/dbraw/zinc/57/05/26/609570526.db2.gz GFIBEBFICJHPNB-NVXWUHKLSA-N -1 3 364.453 3.153 20 0 FGADHM CC/C(C)=C(\C)C(=O)Nc1c(C)c(C)nn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000825050435 609586406 /nfs/dbraw/zinc/58/64/06/609586406.db2.gz JFRQIMMFLJWSNN-VAWYXSNFSA-N -1 3 365.441 3.354 20 0 FGADHM CN(C(=O)c1ccc([C@@H]2CCCOC2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825829239 609588624 /nfs/dbraw/zinc/58/86/24/609588624.db2.gz ALKDLYUFYATZJH-QGZVFWFLSA-N -1 3 363.421 3.037 20 0 FGADHM CN(C(=O)c1ccc([C@@H]2CCCOC2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825829239 609588625 /nfs/dbraw/zinc/58/86/25/609588625.db2.gz ALKDLYUFYATZJH-QGZVFWFLSA-N -1 3 363.421 3.037 20 0 FGADHM CCC[C@H]1C[C@@H](C(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)CCO1 ZINC000825254193 609593237 /nfs/dbraw/zinc/59/32/37/609593237.db2.gz RCRAGVMZWYJKAC-AAEUAGOBSA-N -1 3 363.849 3.078 20 0 FGADHM CCC[C@H]1C[C@@H](C(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)CCO1 ZINC000825254193 609593239 /nfs/dbraw/zinc/59/32/39/609593239.db2.gz RCRAGVMZWYJKAC-AAEUAGOBSA-N -1 3 363.849 3.078 20 0 FGADHM CCCc1c(Nc2ccc(-c3nnn[n-]3)cn2)cnn1-c1cccc(F)c1 ZINC000825348034 609604918 /nfs/dbraw/zinc/60/49/18/609604918.db2.gz AXJACJTVXAZQFH-UHFFFAOYSA-N -1 3 364.388 3.283 20 0 FGADHM CCCc1c(Nc2ccc(-c3nn[n-]n3)cn2)cnn1-c1cccc(F)c1 ZINC000825348034 609604919 /nfs/dbraw/zinc/60/49/19/609604919.db2.gz AXJACJTVXAZQFH-UHFFFAOYSA-N -1 3 364.388 3.283 20 0 FGADHM CS[C@@H](CNC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1)C(C)(C)C ZINC000826225691 609609263 /nfs/dbraw/zinc/60/92/63/609609263.db2.gz IMPVZOMADWZBOT-RISCZKNCSA-N -1 3 362.503 3.005 20 0 FGADHM CS[C@@H](CNC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1)C(C)(C)C ZINC000826225691 609609264 /nfs/dbraw/zinc/60/92/64/609609264.db2.gz IMPVZOMADWZBOT-RISCZKNCSA-N -1 3 362.503 3.005 20 0 FGADHM C[C@H]1CCCC[C@@H]1OCC(=O)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000824937628 609614565 /nfs/dbraw/zinc/61/45/65/609614565.db2.gz QECBLMRGWPGWNL-NHYWBVRUSA-N -1 3 364.833 3.159 20 0 FGADHM C[C@H]1CCCC[C@@H]1OCC(=O)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000824937628 609614566 /nfs/dbraw/zinc/61/45/66/609614566.db2.gz QECBLMRGWPGWNL-NHYWBVRUSA-N -1 3 364.833 3.159 20 0 FGADHM CCC[C@H]1C[C@H](C(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)CCO1 ZINC000825253907 609615721 /nfs/dbraw/zinc/61/57/21/609615721.db2.gz PMAVDELGFXYXLH-RISCZKNCSA-N -1 3 364.833 3.159 20 0 FGADHM CCC[C@H]1C[C@H](C(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)CCO1 ZINC000825253907 609615722 /nfs/dbraw/zinc/61/57/22/609615722.db2.gz PMAVDELGFXYXLH-RISCZKNCSA-N -1 3 364.833 3.159 20 0 FGADHM COc1ccc(C=CC(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)cc1 ZINC000826190539 609615922 /nfs/dbraw/zinc/61/59/22/609615922.db2.gz FCXDVDSCCYNIJV-WTKPLQERSA-N -1 3 370.796 3.285 20 0 FGADHM COc1ccc(C=CC(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)cc1 ZINC000826190539 609615924 /nfs/dbraw/zinc/61/59/24/609615924.db2.gz FCXDVDSCCYNIJV-WTKPLQERSA-N -1 3 370.796 3.285 20 0 FGADHM O=C(OCc1ccc(Cl)cc1-c1nnn[n-]1)C1(c2ccc(F)cc2)CC1 ZINC000826465433 609616795 /nfs/dbraw/zinc/61/67/95/609616795.db2.gz NDFZXHCDKDRHAG-UHFFFAOYSA-N -1 3 372.787 3.434 20 0 FGADHM O=C(OCc1ccc(Cl)cc1-c1nn[n-]n1)C1(c2ccc(F)cc2)CC1 ZINC000826465433 609616796 /nfs/dbraw/zinc/61/67/96/609616796.db2.gz NDFZXHCDKDRHAG-UHFFFAOYSA-N -1 3 372.787 3.434 20 0 FGADHM CCS[C@H](C(=O)OCc1ccc(Cl)cc1-c1nnn[n-]1)C(C)C ZINC000825668955 609616941 /nfs/dbraw/zinc/61/69/41/609616941.db2.gz NBBUTNFFADWTCE-ZDUSSCGKSA-N -1 3 354.863 3.341 20 0 FGADHM CCS[C@H](C(=O)OCc1ccc(Cl)cc1-c1nn[n-]n1)C(C)C ZINC000825668955 609616943 /nfs/dbraw/zinc/61/69/43/609616943.db2.gz NBBUTNFFADWTCE-ZDUSSCGKSA-N -1 3 354.863 3.341 20 0 FGADHM Cc1cc(C)c([C@@H](C)OC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)c(C)c1 ZINC000826263107 609636629 /nfs/dbraw/zinc/63/66/29/609636629.db2.gz LOTZTHULAPMSKX-RDTXWAMCSA-N -1 3 366.421 3.130 20 0 FGADHM Cc1cc(C)c([C@@H](C)OC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)c(C)c1 ZINC000826263107 609636630 /nfs/dbraw/zinc/63/66/30/609636630.db2.gz LOTZTHULAPMSKX-RDTXWAMCSA-N -1 3 366.421 3.130 20 0 FGADHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]C[C@@H]1C[C@H]1C ZINC000032474216 695745567 /nfs/dbraw/zinc/74/55/67/695745567.db2.gz IRKRERCMPDQJMG-SFYZADRCSA-N -1 3 368.680 3.045 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)C(F)(F)F)cc2)cc1 ZINC000005925312 695552682 /nfs/dbraw/zinc/55/26/82/695552682.db2.gz VJEOFPRUOGLVKW-UHFFFAOYSA-N -1 3 358.341 3.297 20 0 FGADHM C[C@H](OC(=O)c1ccc([O-])cc1)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000011078065 695596503 /nfs/dbraw/zinc/59/65/03/695596503.db2.gz KMZYPOZBMLYSHY-JTQLQIEISA-N -1 3 351.305 3.178 20 0 FGADHM O=C([N-]NC(=O)c1cc2ccsc2[nH]1)c1ccccc1Br ZINC000029506955 695713485 /nfs/dbraw/zinc/71/34/85/695713485.db2.gz FVSIGFDRXSNMTJ-UHFFFAOYSA-N -1 3 364.224 3.067 20 0 FGADHM O=C(c1ccc(C/N=C/c2cc(Cl)ccc2[O-])cc1)N1CCOCC1 ZINC000029830161 695716678 /nfs/dbraw/zinc/71/66/78/695716678.db2.gz DGZLULUQLZRUFW-FYJGNVAPSA-N -1 3 358.825 3.137 20 0 FGADHM C[C@@H]1CCC[C@@H](NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)C1 ZINC000032029491 695741173 /nfs/dbraw/zinc/74/11/73/695741173.db2.gz PDGUFAZFCHXPIE-TZMCWYRMSA-N -1 3 370.490 3.211 20 0 FGADHM O=S(=O)([N-]CCc1c[nH]c2ccccc12)c1cnc(Cl)c(Cl)c1 ZINC000036139154 695752787 /nfs/dbraw/zinc/75/27/87/695752787.db2.gz RBVWIKDHEHPPPH-UHFFFAOYSA-N -1 3 370.261 3.391 20 0 FGADHM CC(C)CC[C@@H](C)NC(=O)N[N-]C(=O)c1ccccc1Br ZINC000042999891 695788241 /nfs/dbraw/zinc/78/82/41/695788241.db2.gz CPOQUAUTZGKXJN-LLVKDONJSA-N -1 3 356.264 3.218 20 0 FGADHM Cc1ccc(CSCCNC(=O)N[N-]C(=O)c2ccccc2F)cc1 ZINC000043823352 695797201 /nfs/dbraw/zinc/79/72/01/695797201.db2.gz RBSHDCXAOBZOIX-UHFFFAOYSA-N -1 3 361.442 3.012 20 0 FGADHM Cc1nc(C2([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)CCCCC2)no1 ZINC000045097185 695816666 /nfs/dbraw/zinc/81/66/66/695816666.db2.gz DCDLYHFVGIGVOM-UHFFFAOYSA-N -1 3 373.837 3.308 20 0 FGADHM O=S(=O)([N-]c1ccc(N2CCCC2)c(F)c1)c1ccc2c(c1)CCO2 ZINC000048230932 695874917 /nfs/dbraw/zinc/87/49/17/695874917.db2.gz ZGWLEKGNXAZBNU-UHFFFAOYSA-N -1 3 362.426 3.162 20 0 FGADHM CN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)C1CCCCCC1 ZINC000078256013 700275123 /nfs/dbraw/zinc/27/51/23/700275123.db2.gz MNTQQMQLMLYFHH-UHFFFAOYSA-N -1 3 368.474 3.061 20 0 FGADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)Nc1ccc(Br)cc1 ZINC000078776002 700287914 /nfs/dbraw/zinc/28/79/14/700287914.db2.gz HOSRXNSUYRTDRT-UHFFFAOYSA-N -1 3 350.216 3.217 20 0 FGADHM CC(=O)c1cc(F)cc(CN(C)Cc2nccn2CC(F)(F)F)c1[O-] ZINC000079411972 700299240 /nfs/dbraw/zinc/29/92/40/700299240.db2.gz NWUSCYQXSLLUGB-UHFFFAOYSA-N -1 3 359.323 3.125 20 0 FGADHM O=C(Nc1cc(Br)ccc1F)c1cc2c(cc1[O-])OCO2 ZINC000094034090 700457184 /nfs/dbraw/zinc/45/71/84/700457184.db2.gz OKGFCZBEEILXDW-UHFFFAOYSA-N -1 3 354.131 3.275 20 0 FGADHM C[C@H](OC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)c1cccc(F)c1 ZINC000101707208 700470470 /nfs/dbraw/zinc/47/04/70/700470470.db2.gz VJYDZUKQTIZEST-JTQLQIEISA-N -1 3 355.362 3.254 20 0 FGADHM CCCc1ccc(C(=O)N[N-]C(=O)c2ccccc2Br)cc1 ZINC000139855943 704879498 /nfs/dbraw/zinc/87/94/98/704879498.db2.gz NOLMCXSXVNQVFX-UHFFFAOYSA-N -1 3 361.239 3.476 20 0 FGADHM Cc1ccc(OCCC(=O)[N-]OCc2cccnc2)c(Br)c1 ZINC000152301288 704958392 /nfs/dbraw/zinc/95/83/92/704958392.db2.gz WGNSQFDQDNUEQT-UHFFFAOYSA-N -1 3 365.227 3.169 20 0 FGADHM O=C(CCc1ccc(Br)cc1F)[N-]OCc1cccnc1 ZINC000152397002 704961846 /nfs/dbraw/zinc/96/18/46/704961846.db2.gz IDCYIWILSZLSOR-UHFFFAOYSA-N -1 3 353.191 3.164 20 0 FGADHM CSCC[C@@H](C)[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000156249627 705107833 /nfs/dbraw/zinc/10/78/33/705107833.db2.gz YXHLPKFEFHQOSE-MRVPVSSYSA-N -1 3 356.282 3.008 20 0 FGADHM CCn1c(SCCC[N-]C(=O)C(F)(F)F)nnc1-c1cccc(C)c1 ZINC000156309349 705110418 /nfs/dbraw/zinc/11/04/18/705110418.db2.gz ROFWPXGOBFKXDQ-UHFFFAOYSA-N -1 3 372.416 3.434 20 0 FGADHM O=S(=O)([N-]c1ccc(N2CCSCC2)cc1)c1ccc(F)c(F)c1 ZINC000157846518 705165789 /nfs/dbraw/zinc/16/57/89/705165789.db2.gz YKODTUXUFSUFCT-UHFFFAOYSA-N -1 3 370.446 3.319 20 0 FGADHM C[C@H](C[C@@H](O)c1cccs1)[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000158086794 705172058 /nfs/dbraw/zinc/17/20/58/705172058.db2.gz WQCJFLFGDHNPBD-MWLCHTKSSA-N -1 3 363.863 3.331 20 0 FGADHM O=S(=O)([N-]Cc1cc2ccccc2[nH]1)c1cnc(Cl)c(Cl)c1 ZINC000158811938 705200752 /nfs/dbraw/zinc/20/07/52/705200752.db2.gz ISORVNKDQCULET-UHFFFAOYSA-N -1 3 356.234 3.348 20 0 FGADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000159050439 705208654 /nfs/dbraw/zinc/20/86/54/705208654.db2.gz SRLSCNPGKIZASO-CABCVRRESA-N -1 3 367.902 3.072 20 0 FGADHM CO[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)nc1Cl)c1ccccc1 ZINC000173976759 705480306 /nfs/dbraw/zinc/48/03/06/705480306.db2.gz FBERVUILUDJNED-NSHDSACASA-N -1 3 361.250 3.054 20 0 FGADHM CSC(C)(C)CNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000175519479 705550223 /nfs/dbraw/zinc/55/02/23/705550223.db2.gz GACSEABBNIORBL-UHFFFAOYSA-N -1 3 369.284 3.162 20 0 FGADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)[C@H]1C[C@H]1C1CC1 ZINC000176005976 705566930 /nfs/dbraw/zinc/56/69/30/705566930.db2.gz LLEHUNIQKVHFAZ-QWRGUYRKSA-N -1 3 362.373 3.062 20 0 FGADHM CCSc1cccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C)c2)c1 ZINC000177479596 705624078 /nfs/dbraw/zinc/62/40/78/705624078.db2.gz NDRMKIFTTBFXME-UHFFFAOYSA-N -1 3 368.455 3.098 20 0 FGADHM COc1ccc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)nc1Br ZINC000183153272 705879521 /nfs/dbraw/zinc/87/95/21/705879521.db2.gz LSSAWVPADUWVSZ-SECBINFHSA-N -1 3 371.194 3.219 20 0 FGADHM CC1(C)C[C@H](NC(=O)N[N-]C(=O)c2ccc(Cl)cc2Cl)C(C)(C)O1 ZINC000183585989 705891831 /nfs/dbraw/zinc/89/18/31/705891831.db2.gz BXXSJGCKMIOCNK-LBPRGKRZSA-N -1 3 374.268 3.284 20 0 FGADHM O=C([N-]N1Cc2ccccc2C1=O)c1ccc(Br)cc1Cl ZINC000183821953 705904771 /nfs/dbraw/zinc/90/47/71/705904771.db2.gz LDTLEHCZYAVRSP-UHFFFAOYSA-N -1 3 365.614 3.403 20 0 FGADHM CCCCn1cc(C(=O)[N-]NC(=O)Nc2ccc(C)cc2Cl)c(C)n1 ZINC000184935060 712679205 /nfs/dbraw/zinc/67/92/05/712679205.db2.gz JRPVSVZUVFWNQN-UHFFFAOYSA-N -1 3 363.849 3.420 20 0 FGADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)nc2Cl)c(CN(C)C)c1 ZINC000185786863 712702026 /nfs/dbraw/zinc/70/20/26/712702026.db2.gz QPSFKNVFTGVCHP-UHFFFAOYSA-N -1 3 353.875 3.214 20 0 FGADHM O=S(=O)([N-]CCC[C@H]1CCCCO1)c1ccc(Cl)nc1Cl ZINC000186161294 712710753 /nfs/dbraw/zinc/71/07/53/712710753.db2.gz DFXGHYBRKSPLJQ-SNVBAGLBSA-N -1 3 353.271 3.016 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]C[C@H](O)c2ccc(Cl)cc2)sc1Cl ZINC000188015398 712759389 /nfs/dbraw/zinc/75/93/89/712759389.db2.gz HUBYDVMMZQTBJA-NSHDSACASA-N -1 3 366.291 3.375 20 0 FGADHM Cc1cccc(CNC(=O)NN=c2ccc(Cl)n[n-]2)c1Br ZINC000190484103 712815681 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494700642 /nfs/dbraw/zinc/70/06/42/494700642.db2.gz YFQZJJQDJDHJNC-UHFFFAOYSA-N -1 3 372.469 3.215 20 0 FGADHM Cc1nc2ccccc2n1CCCNC(=O)c1c[n-]c2ccccc2c1=O ZINC000057347322 494718896 /nfs/dbraw/zinc/71/88/96/494718896.db2.gz FRZPQQYGXCSMAS-UHFFFAOYSA-N -1 3 360.417 3.006 20 0 FGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]CC[C@@H]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000574293516 505739804 /nfs/dbraw/zinc/73/98/04/505739804.db2.gz BJZGGUAIHJHIJW-CLLJXQQHSA-N -1 3 361.891 3.221 20 0 FGADHM CCN(CC)Cc1cccc(NC(=O)CSc2n[n-]c(=S)s2)c1 ZINC000080543063 494732528 /nfs/dbraw/zinc/73/25/28/494732528.db2.gz WJYYAMZQQZGYNN-UHFFFAOYSA-N -1 3 368.553 3.399 20 0 FGADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N3CCC[C@H](C)C3)nc(=O)c2c1C ZINC000057406090 494735923 /nfs/dbraw/zinc/73/59/23/494735923.db2.gz FNVUNJOOCNORLZ-CMPLNLGQSA-N -1 3 363.483 3.263 20 0 FGADHM CC(C)(C)[C@H]1CCCN(C(=O)CC[N-]S(=O)(=O)c2cccs2)CC1 ZINC000116221528 494736910 /nfs/dbraw/zinc/73/69/10/494736910.db2.gz SNLKBTZXODSBTJ-AWEZNQCLSA-N -1 3 372.556 3.091 20 0 FGADHM O=C([N-]c1cc(F)ccc1SCC(F)F)c1cn2cccnc2n1 ZINC000121401842 494739754 /nfs/dbraw/zinc/73/97/54/494739754.db2.gz OGBDDRRXMNBAPY-UHFFFAOYSA-N -1 3 352.341 3.478 20 0 FGADHM C[C@@H](CSCc1ccccc1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000131833313 494746562 /nfs/dbraw/zinc/74/65/62/494746562.db2.gz ZZZZUSFZLSWMIK-ZDUSSCGKSA-N -1 3 353.451 3.375 20 0 FGADHM C[C@@H](CSCc1ccccc1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000131833313 494746575 /nfs/dbraw/zinc/74/65/75/494746575.db2.gz ZZZZUSFZLSWMIK-ZDUSSCGKSA-N -1 3 353.451 3.375 20 0 FGADHM CCc1ccc([O-])c(C(=O)N2CCCC[C@H]2CNC(=O)c2ccccc2)c1 ZINC000091992801 494747503 /nfs/dbraw/zinc/74/75/03/494747503.db2.gz ZZKVKUDVUHONPO-SFHVURJKSA-N -1 3 366.461 3.379 20 0 FGADHM COc1ccccc1-c1noc([C@H](C)NC(=O)c2ccc(C)cc2[O-])n1 ZINC000075378798 494747874 /nfs/dbraw/zinc/74/78/74/494747874.db2.gz BJBDZGOLVKSCGF-LBPRGKRZSA-N -1 3 353.378 3.250 20 0 FGADHM CCc1noc([C@H](C)Sc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)n1 ZINC000057466377 494756792 /nfs/dbraw/zinc/75/67/92/494756792.db2.gz KYKBGPIDOLLIQG-JTQLQIEISA-N -1 3 368.422 3.320 20 0 FGADHM CO[C@@H](CNC(=O)c1cc(NC(C)=O)ccc1[O-])c1ccc(Cl)cc1 ZINC000075434934 494761325 /nfs/dbraw/zinc/76/13/25/494761325.db2.gz YQKPFVLGGAOCQV-KRWDZBQOSA-N -1 3 362.813 3.122 20 0 FGADHM Cn1cc(C(=O)Nc2ccc(Br)cc2[O-])c(C(C)(C)C)n1 ZINC000092813549 494761835 /nfs/dbraw/zinc/76/18/35/494761835.db2.gz LMVNKXICJPSWQG-UHFFFAOYSA-N -1 3 352.232 3.438 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)N[C@@H]1CCCN(c2ccccc2F)C1 ZINC000131892165 494765568 /nfs/dbraw/zinc/76/55/68/494765568.db2.gz YPWGQHBUTVAWJV-CQSZACIVSA-N -1 3 361.392 3.139 20 0 FGADHM Cc1cc(C[C@@H](C)[N-]S(=O)(=O)c2ccccc2F)n(-c2ccccc2)n1 ZINC000121469894 494770122 /nfs/dbraw/zinc/77/01/22/494770122.db2.gz RZSANZUKXMMKHD-OAHLLOKOSA-N -1 3 373.453 3.229 20 0 FGADHM COC(=O)c1cccc(C(=O)[N-]c2nnc(-c3cccc(Cl)c3)s2)n1 ZINC000068131478 494770677 /nfs/dbraw/zinc/77/06/77/494770677.db2.gz JKDIOAYJMHZMQK-UHFFFAOYSA-N -1 3 374.809 3.292 20 0 FGADHM Cc1csc(C(C)(C)[N-]S(=O)(=O)c2cccc3c2N=S=N3)n1 ZINC000116378380 494771063 /nfs/dbraw/zinc/77/10/63/494771063.db2.gz SIAKUDVPJVUPJI-UHFFFAOYSA-N -1 3 354.482 3.392 20 0 FGADHM CN(Cc1cnn(C)c1)Cc1nc(=O)c2cc(-c3ccccc3)sc2[n-]1 ZINC000025792199 494778645 /nfs/dbraw/zinc/77/86/45/494778645.db2.gz ZBWVONXWSHRAQB-UHFFFAOYSA-N -1 3 365.462 3.017 20 0 FGADHM Cc1sc2[n-]c(CN3CCO[C@H](C)C3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000025835066 494784011 /nfs/dbraw/zinc/78/40/11/494784011.db2.gz LFSDZMXEDFCJFI-CYBMUJFWSA-N -1 3 369.490 3.489 20 0 FGADHM O=S(=O)([N-]C[C@@H](c1c[nH]c2ccccc21)c1ccccc1)c1c[nH]cn1 ZINC000121523507 494790332 /nfs/dbraw/zinc/79/03/32/494790332.db2.gz IITFJGWCOXKBEA-MRXNPFEDSA-N -1 3 366.446 3.001 20 0 FGADHM CC[C@H]1CO[C@@H](C)CN1Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000026195987 494808889 /nfs/dbraw/zinc/80/88/89/494808889.db2.gz DESLNHDHTXXLRS-RYUDHWBXSA-N -1 3 359.451 3.244 20 0 FGADHM CCCn1c(=O)[n-]nc1S[C@H](C)c1nc(-c2ccc(OC)cc2)no1 ZINC000132055740 494810175 /nfs/dbraw/zinc/81/01/75/494810175.db2.gz KDNXXLFGAFRLFE-SNVBAGLBSA-N -1 3 361.427 3.306 20 0 FGADHM COc1cccc(OC)c1C(=O)Nc1cc(Br)ccc1[O-] ZINC000126700058 494822002 /nfs/dbraw/zinc/82/20/02/494822002.db2.gz CPSUKARGRMBUFI-UHFFFAOYSA-N -1 3 352.184 3.424 20 0 FGADHM O=C(Nc1cc(Br)ccc1[O-])c1cc(F)cc2nccnc21 ZINC000126699780 494822481 /nfs/dbraw/zinc/82/24/81/494822481.db2.gz DMTNVKZFTVHKFY-UHFFFAOYSA-N -1 3 362.158 3.489 20 0 FGADHM Cc1ccc(C[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])s1 ZINC000132149009 494828744 /nfs/dbraw/zinc/82/87/44/494828744.db2.gz SRCLGYZNHYCBKO-GUYCJALGSA-N -1 3 372.490 3.114 20 0 FGADHM CC(=O)NCc1ccc(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2C(C)(C)C)s1 ZINC000026837439 494840156 /nfs/dbraw/zinc/84/01/56/494840156.db2.gz XXUPYAWUPFSHNP-LSDHHAIUSA-N -1 3 372.556 3.267 20 0 FGADHM NC(=O)[N-]C(=O)OCCCN1CCCC[C@H]1c1nc2ccccc2s1 ZINC000093191435 494840295 /nfs/dbraw/zinc/84/02/95/494840295.db2.gz BOPCRSJMHMDKMO-ZDUSSCGKSA-N -1 3 362.455 3.018 20 0 FGADHM COc1cc(F)c(S(=O)(=O)[N-]CC(C)(C)c2ccccc2)cc1OC ZINC000026844420 494841461 /nfs/dbraw/zinc/84/14/61/494841461.db2.gz CUVGTHNPZUUINB-UHFFFAOYSA-N -1 3 367.442 3.099 20 0 FGADHM C[C@H](C[N-]S(=O)(=O)c1ccc(Cl)s1)N1CCc2ccccc21 ZINC000026847720 494841529 /nfs/dbraw/zinc/84/15/29/494841529.db2.gz QEZPPTZPCJIYEV-LLVKDONJSA-N -1 3 356.900 3.131 20 0 FGADHM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-][C@H](C)c2ncc(C)s2)c1 ZINC000132330215 494857990 /nfs/dbraw/zinc/85/79/90/494857990.db2.gz IEYWCJQWJSPHMC-SECBINFHSA-N -1 3 358.872 3.347 20 0 FGADHM COc1ccc(C(=O)N2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)c([O-])c1 ZINC000132387265 494866638 /nfs/dbraw/zinc/86/66/38/494866638.db2.gz FRVMQBAAXFRQLH-CQSZACIVSA-N -1 3 357.381 3.275 20 0 FGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)[C@@H]1C[C@@H]1c1cccc(OC)c1 ZINC000093315606 494867169 /nfs/dbraw/zinc/86/71/69/494867169.db2.gz KXYUPLLUUYKMBG-ZIAGYGMSSA-N -1 3 358.394 3.165 20 0 FGADHM CCCCc1nnc([N-]C(=O)c2cn(-c3ccccc3Cl)nn2)s1 ZINC000109453068 494877647 /nfs/dbraw/zinc/87/76/47/494877647.db2.gz NJAGCHQHPTZFPG-UHFFFAOYSA-N -1 3 362.846 3.367 20 0 FGADHM COc1ccc(CCCNC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)cc1 ZINC000121865948 494878177 /nfs/dbraw/zinc/87/81/77/494878177.db2.gz XAMBSOHGGZDCME-UHFFFAOYSA-N -1 3 368.408 3.347 20 0 FGADHM Cc1cc(Cl)cc(NC(=O)CSc2nnnn2C2CCCC2)c1[O-] ZINC000116979482 494878606 /nfs/dbraw/zinc/87/86/06/494878606.db2.gz YRWWFURLKIZFSX-UHFFFAOYSA-N -1 3 367.862 3.186 20 0 FGADHM Cc1cc(Cl)cc(NC(=O)COc2ccc(N3CCCC3=O)cc2)c1[O-] ZINC000116980703 494879504 /nfs/dbraw/zinc/87/95/04/494879504.db2.gz KALSJULOGRBENE-UHFFFAOYSA-N -1 3 374.824 3.498 20 0 FGADHM COc1ccc([C@H](CNC(=O)c2ccccc2[O-])N2CCCCC2)cc1 ZINC000027667623 494880627 /nfs/dbraw/zinc/88/06/27/494880627.db2.gz AVYHHLWKDNBOHG-IBGZPJMESA-N -1 3 354.450 3.358 20 0 FGADHM CCc1c(C(=O)CSc2n[n-]c(-c3ccccn3)n2)[nH]c(C)c1C(C)=O ZINC000117115562 494892889 /nfs/dbraw/zinc/89/28/89/494892889.db2.gz UTPHTVVKTMTTRC-UHFFFAOYSA-N -1 3 369.450 3.243 20 0 FGADHM Cc1n[nH]cc1CN(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000127189792 494906733 /nfs/dbraw/zinc/90/67/33/494906733.db2.gz FMZYUHFWDWMENE-UHFFFAOYSA-N -1 3 370.478 3.151 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)c1ccc(CN2CCSCC2)cc1 ZINC000132672044 494907478 /nfs/dbraw/zinc/90/74/78/494907478.db2.gz PZGYEJAEPBDUQL-UHFFFAOYSA-N -1 3 360.454 3.010 20 0 FGADHM CS[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(Br)s2)C1 ZINC000117375995 494914921 /nfs/dbraw/zinc/91/49/21/494914921.db2.gz GUKGTXJDJDXEFK-IUCAKERBSA-N -1 3 370.359 3.463 20 0 FGADHM CCN(CC)[C@@H](C[N-]S(=O)(=O)Cc1ccc(F)cc1F)c1ccco1 ZINC000127264694 494918599 /nfs/dbraw/zinc/91/85/99/494918599.db2.gz BUIFKZLLUZOARJ-INIZCTEOSA-N -1 3 372.437 3.060 20 0 FGADHM CCOc1cc(CN2CCO[C@@H]3CCC[C@@H]32)cc(Br)c1[O-] ZINC000132762434 494920739 /nfs/dbraw/zinc/92/07/39/494920739.db2.gz PYGBXOPBVWNLNJ-UONOGXRCSA-N -1 3 356.260 3.307 20 0 FGADHM CCc1ccc(S(=O)(=O)[N-]c2ccc(OCCN(C)C)cc2)s1 ZINC000093867860 494928878 /nfs/dbraw/zinc/92/88/78/494928878.db2.gz NVFZXVWTVPSJOJ-UHFFFAOYSA-N -1 3 354.497 3.052 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2cccc(-n3ccnc3)c2)c(C)c1C ZINC000117540665 494931424 /nfs/dbraw/zinc/93/14/24/494931424.db2.gz YKAUNDCOXSMSKH-UHFFFAOYSA-N -1 3 357.435 3.299 20 0 FGADHM CN(C)[C@H](CNC(=O)c1ccc(Br)c([O-])c1)c1cccs1 ZINC000132845450 494931726 /nfs/dbraw/zinc/93/17/26/494931726.db2.gz LZJSRBZPXOILFU-GFCCVEGCSA-N -1 3 369.284 3.249 20 0 FGADHM COc1ccncc1NC(=O)c1n[n-]c(-c2ccccc2)c1Br ZINC000132841961 494932061 /nfs/dbraw/zinc/93/20/61/494932061.db2.gz TZMUDWZVXNHYNR-UHFFFAOYSA-N -1 3 373.210 3.495 20 0 FGADHM COc1ccncc1NC(=O)c1[n-]nc(-c2ccccc2)c1Br ZINC000132841961 494932063 /nfs/dbraw/zinc/93/20/63/494932063.db2.gz TZMUDWZVXNHYNR-UHFFFAOYSA-N -1 3 373.210 3.495 20 0 FGADHM Cc1csc([C@@H]([N-]S(=O)(=O)Cc2ccc(F)cc2F)C2CC2)n1 ZINC000127350583 494932113 /nfs/dbraw/zinc/93/21/13/494932113.db2.gz UYAUXGULZUNIHO-AWEZNQCLSA-N -1 3 358.435 3.300 20 0 FGADHM O=C(Nc1nnc(-c2ccco2)[n-]1)c1cnn2c1nccc2-c1ccccc1 ZINC000132846643 494932723 /nfs/dbraw/zinc/93/27/23/494932723.db2.gz OLUIPSABOSJNGG-UHFFFAOYSA-N -1 3 371.360 3.027 20 0 FGADHM O=C(Nc1nc(-c2ccco2)n[n-]1)c1cnn2c1nccc2-c1ccccc1 ZINC000132846643 494932724 /nfs/dbraw/zinc/93/27/24/494932724.db2.gz OLUIPSABOSJNGG-UHFFFAOYSA-N -1 3 371.360 3.027 20 0 FGADHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1cnn2c1nccc2-c1ccccc1 ZINC000132846643 494932728 /nfs/dbraw/zinc/93/27/28/494932728.db2.gz OLUIPSABOSJNGG-UHFFFAOYSA-N -1 3 371.360 3.027 20 0 FGADHM Cc1cccc(NC(=O)CCc2c(C)nc(C)[n-]c2=O)c1Br ZINC000122178363 494935917 /nfs/dbraw/zinc/93/59/17/494935917.db2.gz KFTUCNMIHMNQOK-UHFFFAOYSA-N -1 3 364.243 3.029 20 0 FGADHM COc1ccc(C(=O)N(CCCc2ccccc2)CCN(C)C)c([O-])c1 ZINC000094062358 494944977 /nfs/dbraw/zinc/94/49/77/494944977.db2.gz KQCOXVUUDPUPEX-UHFFFAOYSA-N -1 3 356.466 3.037 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)C1CCOCC1 ZINC000132935560 494945342 /nfs/dbraw/zinc/94/53/42/494945342.db2.gz ZOVLAIXZVBAMAA-VIFPVBQESA-N -1 3 371.808 3.452 20 0 FGADHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc(-c3ccccc3)cn2)cc1 ZINC000117691311 494945538 /nfs/dbraw/zinc/94/55/38/494945538.db2.gz BHXFGALVIPJBJG-UHFFFAOYSA-N -1 3 367.430 3.372 20 0 FGADHM COc1ccc(C)cc1NC(=O)[C@H]1CCCN1C(=O)c1ccc(C)cc1[O-] ZINC000117708179 494947678 /nfs/dbraw/zinc/94/76/78/494947678.db2.gz DNDBTKQTMGIDME-QGZVFWFLSA-N -1 3 368.433 3.261 20 0 FGADHM C[C@@H](Oc1ccc(F)c(F)c1)C(=O)[N-]c1nncn1Cc1ccccc1 ZINC000117734539 494950333 /nfs/dbraw/zinc/95/03/33/494950333.db2.gz MTMYVBMNYKAVMA-GFCCVEGCSA-N -1 3 358.348 3.011 20 0 FGADHM O=C(CSc1ccc(Cl)cc1)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000127494833 494952178 /nfs/dbraw/zinc/95/21/78/494952178.db2.gz LACYAAKDWYNAJC-UHFFFAOYSA-N -1 3 359.842 3.175 20 0 FGADHM O=C(CSc1ccc(Cl)cc1)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000127494833 494952181 /nfs/dbraw/zinc/95/21/81/494952181.db2.gz LACYAAKDWYNAJC-UHFFFAOYSA-N -1 3 359.842 3.175 20 0 FGADHM Cc1ccc([C@H]2COCCN2C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)o1 ZINC000094154535 494954641 /nfs/dbraw/zinc/95/46/41/494954641.db2.gz IIPANFICCPNSTP-OAHLLOKOSA-N -1 3 357.406 3.221 20 0 FGADHM C[C@@H](O)C1CCN(C(=O)c2cc(OCc3ccccc3)ccc2[O-])CC1 ZINC000094157318 494955229 /nfs/dbraw/zinc/95/52/29/494955229.db2.gz OIYGOIFPNIZHLY-OAHLLOKOSA-N -1 3 355.434 3.204 20 0 FGADHM COC(=O)CCN(Cc1ccc(F)c(F)c1)C(=O)c1ccc(C)cc1[O-] ZINC000110347364 494971825 /nfs/dbraw/zinc/97/18/25/494971825.db2.gz VGCIMFLKEPTLGY-UHFFFAOYSA-N -1 3 363.360 3.184 20 0 FGADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCC(C2OCCO2)CC1 ZINC000110428415 494978632 /nfs/dbraw/zinc/97/86/32/494978632.db2.gz HNCQHIMWPCPRCV-UHFFFAOYSA-N -1 3 367.445 3.208 20 0 FGADHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N([C@H](C)C(C)C)C1CC1 ZINC000133187457 494981698 /nfs/dbraw/zinc/98/16/98/494981698.db2.gz IRHQLAHBLKCIJP-GFCCVEGCSA-N -1 3 366.483 3.207 20 0 FGADHM CCOC(=O)c1[n-]c(C)nc1NC(=O)c1ccc(Br)c(F)c1 ZINC000577568733 505754210 /nfs/dbraw/zinc/75/42/10/505754210.db2.gz MRGUUZXYGIOJAS-UHFFFAOYSA-N -1 3 370.178 3.049 20 0 FGADHM CCOC(=O)c1nc(C)[n-]c1NC(=O)c1ccc(Br)c(F)c1 ZINC000577568733 505754211 /nfs/dbraw/zinc/75/42/11/505754211.db2.gz MRGUUZXYGIOJAS-UHFFFAOYSA-N -1 3 370.178 3.049 20 0 FGADHM O=C(c1ccccc1[O-])N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000133300352 494996860 /nfs/dbraw/zinc/99/68/60/494996860.db2.gz JADVEGGIIGAJRP-MRXNPFEDSA-N -1 3 362.223 3.368 20 0 FGADHM C[C@@H](CS(=O)(=O)[N-]c1cccc(C(=O)NC2CC2)c1)c1ccccc1 ZINC000133441514 495014241 /nfs/dbraw/zinc/01/42/41/495014241.db2.gz KTXZAZHBIHCYAJ-AWEZNQCLSA-N -1 3 358.463 3.124 20 0 FGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)c1occc1-c1ccc(F)cc1 ZINC000127982716 495025924 /nfs/dbraw/zinc/02/59/24/495025924.db2.gz BANFCZCWRFXCBH-UHFFFAOYSA-N -1 3 363.352 3.196 20 0 FGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)c1occc1-c1ccc(F)cc1 ZINC000127982716 495025928 /nfs/dbraw/zinc/02/59/28/495025928.db2.gz BANFCZCWRFXCBH-UHFFFAOYSA-N -1 3 363.352 3.196 20 0 FGADHM CN(C(=O)Cc1csc(NC(=O)c2cccc([O-])c2)n1)C1CCCCC1 ZINC000118754437 495032311 /nfs/dbraw/zinc/03/23/11/495032311.db2.gz KJLZCJQJCJENRE-UHFFFAOYSA-N -1 3 373.478 3.435 20 0 FGADHM O=C([N-]c1ccncc1F)c1cn(-c2cccc(C(F)(F)F)c2)nn1 ZINC000122863399 495042731 /nfs/dbraw/zinc/04/27/31/495042731.db2.gz HZYJMBXSVFATCX-UHFFFAOYSA-N -1 3 351.263 3.073 20 0 FGADHM O=C(CCc1ncc(-c2ccc(F)cc2)o1)Nc1nnc(-c2ccco2)[n-]1 ZINC000128113682 495046885 /nfs/dbraw/zinc/04/68/85/495046885.db2.gz IHDQJZNIYKBNAF-UHFFFAOYSA-N -1 3 367.340 3.430 20 0 FGADHM O=C(CCc1ncc(-c2ccc(F)cc2)o1)Nc1nc(-c2ccco2)n[n-]1 ZINC000128113682 495046888 /nfs/dbraw/zinc/04/68/88/495046888.db2.gz IHDQJZNIYKBNAF-UHFFFAOYSA-N -1 3 367.340 3.430 20 0 FGADHM O=C(CCc1ncc(-c2ccc(F)cc2)o1)Nc1n[n-]c(-c2ccco2)n1 ZINC000128113682 495046894 /nfs/dbraw/zinc/04/68/94/495046894.db2.gz IHDQJZNIYKBNAF-UHFFFAOYSA-N -1 3 367.340 3.430 20 0 FGADHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cccnc3NC(C)C)c2)n1 ZINC000118877476 495051145 /nfs/dbraw/zinc/05/11/45/495051145.db2.gz OIXHKHJPQSMJPA-UHFFFAOYSA-N -1 3 363.421 3.213 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C)c2cccc(-n3cccn3)c2)c1 ZINC000122979425 495063169 /nfs/dbraw/zinc/06/31/69/495063169.db2.gz YJZSPNNXTKPCAN-ZDUSSCGKSA-N -1 3 364.405 3.027 20 0 FGADHM COc1ccc(Br)c(NC(=O)c2cc(OC)ccc2[O-])c1 ZINC000111324044 495064655 /nfs/dbraw/zinc/06/46/55/495064655.db2.gz XKZHRETWECYBPP-UHFFFAOYSA-N -1 3 352.184 3.424 20 0 FGADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N[C@H]1C[C@H]1c1c(F)cccc1Cl ZINC000133823196 495065962 /nfs/dbraw/zinc/06/59/62/495065962.db2.gz XKDCDFHZNWXEQV-RISCZKNCSA-N -1 3 373.771 3.040 20 0 FGADHM CCc1nc(CN2CCC(CNC(=O)c3cc(C)ccc3[O-])CC2)cs1 ZINC000111646509 495091638 /nfs/dbraw/zinc/09/16/38/495091638.db2.gz RAANYQGZTJDVFL-UHFFFAOYSA-N -1 3 373.522 3.362 20 0 FGADHM CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2sccc2OC)C12CCCCC2 ZINC000123308303 495112924 /nfs/dbraw/zinc/11/29/24/495112924.db2.gz JMJISASLHGZMQC-KGLIPLIRSA-N -1 3 359.513 3.163 20 0 FGADHM CCc1cc(=O)[n-]c(CS[C@H]2CCCN(c3ccccc3F)C2=O)n1 ZINC000119231833 495122604 /nfs/dbraw/zinc/12/26/04/495122604.db2.gz USVSEYLUYYWGPK-HNNXBMFYSA-N -1 3 361.442 3.313 20 0 FGADHM COc1ccc(CCNC(=O)c2c[n-]c3ccccc3c2=O)c(Cl)c1 ZINC000123394532 495126305 /nfs/dbraw/zinc/12/63/05/495126305.db2.gz MAULYHJXOPMLSP-UHFFFAOYSA-N -1 3 356.809 3.163 20 0 FGADHM O=c1nc(CN(Cc2ccccc2)CC2(O)CCCC2)[n-]c2ccsc21 ZINC000134359320 495138593 /nfs/dbraw/zinc/13/85/93/495138593.db2.gz ZVWUJQLMUYGECW-UHFFFAOYSA-N -1 3 369.490 3.292 20 0 FGADHM CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)c1ccccc1[O-] ZINC000123553292 495150642 /nfs/dbraw/zinc/15/06/42/495150642.db2.gz YBJRJZXOZGRYAY-UHFFFAOYSA-N -1 3 371.824 3.335 20 0 FGADHM COc1ccc(CCC(=O)Nc2n[n-]c(-c3ccccc3F)n2)cc1OC ZINC000102823947 495164980 /nfs/dbraw/zinc/16/49/80/495164980.db2.gz AFIHXPCTGJGTET-UHFFFAOYSA-N -1 3 370.384 3.199 20 0 FGADHM Cc1conc1[N-]C(=O)c1sc2nc3n(c(=O)c2c1C)CCCCC3 ZINC000123646399 495165846 /nfs/dbraw/zinc/16/58/46/495165846.db2.gz QWUAEVIOYUCFTF-UHFFFAOYSA-N -1 3 358.423 3.042 20 0 FGADHM Cc1conc1[N-]C(=O)c1nc(C)n(-c2c(Cl)cccc2Cl)n1 ZINC000123691258 495171480 /nfs/dbraw/zinc/17/14/80/495171480.db2.gz AKYDNUSVBXXYEA-UHFFFAOYSA-N -1 3 352.181 3.431 20 0 FGADHM Cc1conc1[N-]C(=O)c1cc(C(=O)OC(C)(C)C)n(-c2ccccc2)n1 ZINC000123692215 495171692 /nfs/dbraw/zinc/17/16/92/495171692.db2.gz SNSVLTQMSWRRNM-UHFFFAOYSA-N -1 3 368.393 3.376 20 0 FGADHM O=C(Nc1ccc([O-])cc1F)C1(c2ccc(F)cc2F)CCOCC1 ZINC000119471593 495173473 /nfs/dbraw/zinc/17/34/73/495173473.db2.gz OUXUVCWFJMTGPZ-UHFFFAOYSA-N -1 3 351.324 3.496 20 0 FGADHM CC[C@@H](OC1CCCCC1)C(=O)N(C)Cc1nc2ccsc2c(=O)[n-]1 ZINC000119488154 495176282 /nfs/dbraw/zinc/17/62/82/495176282.db2.gz CYVMHFAKWPTWGL-CQSZACIVSA-N -1 3 363.483 3.071 20 0 FGADHM CCC[C@H](NC(=O)Cc1ccc([O-])cc1Cl)c1nnc2ccccn21 ZINC000128989593 495178373 /nfs/dbraw/zinc/17/83/73/495178373.db2.gz NHGCKIBCQSXMRD-HNNXBMFYSA-N -1 3 358.829 3.288 20 0 FGADHM C[C@H]1CCc2c(sc3[n-]c(CC(=O)N(C)c4ccccc4)nc(=O)c23)C1 ZINC000112404409 495185326 /nfs/dbraw/zinc/18/53/26/495185326.db2.gz HJSAQRQXYUPQTQ-LBPRGKRZSA-N -1 3 367.474 3.315 20 0 FGADHM CSc1nsc([N-]C(=O)c2c[nH]nc2-c2c(F)cccc2F)n1 ZINC000134726913 495192147 /nfs/dbraw/zinc/19/21/47/495192147.db2.gz POBHEKYPODAVPG-UHFFFAOYSA-N -1 3 353.379 3.181 20 0 FGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1cc(-c2cccc(Cl)c2)on1 ZINC000119572528 495193424 /nfs/dbraw/zinc/19/34/24/495193424.db2.gz NJCLBWSCUMKIDR-UHFFFAOYSA-N -1 3 366.768 3.427 20 0 FGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1cc(-c2cccc(Cl)c2)on1 ZINC000119572528 495193428 /nfs/dbraw/zinc/19/34/28/495193428.db2.gz NJCLBWSCUMKIDR-UHFFFAOYSA-N -1 3 366.768 3.427 20 0 FGADHM CC(C)(C(=O)NCCCNC(=O)c1cccc([O-])c1)c1cccc(Cl)c1 ZINC000129115412 495197703 /nfs/dbraw/zinc/19/77/03/495197703.db2.gz SHJVHLUUNYQRFO-UHFFFAOYSA-N -1 3 374.868 3.260 20 0 FGADHM O=C1[N-]C(=O)C(=CN[C@@H](c2cccc(F)c2)c2ccccn2)c2ccccc21 ZINC000119597817 495198026 /nfs/dbraw/zinc/19/80/26/495198026.db2.gz DYDPUHKSDULVQY-ZPBCLNFZSA-N -1 3 373.387 3.211 20 0 FGADHM CC(C)CC(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1cccc([O-])c1F ZINC000129131274 495200262 /nfs/dbraw/zinc/20/02/62/495200262.db2.gz QEKABGFUIYXQOB-KRWDZBQOSA-N -1 3 370.424 3.469 20 0 FGADHM CCc1c(C(=O)[N-]c2nnc(C)s2)nnn1-c1ccc(OC(C)C)cc1 ZINC000123883878 495201332 /nfs/dbraw/zinc/20/13/32/495201332.db2.gz NXWYXHBDDOWDEJ-UHFFFAOYSA-N -1 3 372.454 3.029 20 0 FGADHM O=S(=O)([N-][C@@H]1CCC[C@@H]2OCC[C@@H]21)c1cc(C(F)(F)F)ccc1F ZINC000129217082 495212906 /nfs/dbraw/zinc/21/29/06/495212906.db2.gz WWLNRXSHFRIIQM-RTXFEEFZSA-N -1 3 367.364 3.080 20 0 FGADHM Cc1c(Cl)cccc1NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000124010365 495220949 /nfs/dbraw/zinc/22/09/49/495220949.db2.gz NDJMFXOUTFGLKW-UHFFFAOYSA-N -1 3 373.840 3.344 20 0 FGADHM Cn1ccnc1-c1cc(NC(=O)[C@H]2C[C@H]2c2ccccc2OC(F)F)n[n-]1 ZINC000119711953 495223777 /nfs/dbraw/zinc/22/37/77/495223777.db2.gz WLGIALKTJVSFQM-RYUDHWBXSA-N -1 3 373.363 3.154 20 0 FGADHM Cn1ccnc1-c1cc(NC(=O)[C@H]2C[C@H]2c2ccccc2OC(F)F)[n-]n1 ZINC000119711953 495223779 /nfs/dbraw/zinc/22/37/79/495223779.db2.gz WLGIALKTJVSFQM-RYUDHWBXSA-N -1 3 373.363 3.154 20 0 FGADHM COC(=O)CN(Cc1nc(=O)c2c(-c3ccccc3)csc2[n-]1)C(C)C ZINC000103469927 495237665 /nfs/dbraw/zinc/23/76/65/495237665.db2.gz VJBMVCSUSHXPMX-UHFFFAOYSA-N -1 3 371.462 3.035 20 0 FGADHM CC(C)C[C@@H](CCO)C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000124166133 495244545 /nfs/dbraw/zinc/24/45/45/495244545.db2.gz ZFQYGNGKZCZMED-LLVKDONJSA-N -1 3 371.396 3.168 20 0 FGADHM Cn1ccnc1-c1cc(NC(=O)c2cnc(-c3ccccc3F)s2)n[n-]1 ZINC000119808996 495246256 /nfs/dbraw/zinc/24/62/56/495246256.db2.gz DNJHDDSLSYJPGF-UHFFFAOYSA-N -1 3 368.397 3.325 20 0 FGADHM Cn1ccnc1-c1cc(NC(=O)c2cnc(-c3ccccc3F)s2)[n-]n1 ZINC000119808996 495246259 /nfs/dbraw/zinc/24/62/59/495246259.db2.gz DNJHDDSLSYJPGF-UHFFFAOYSA-N -1 3 368.397 3.325 20 0 FGADHM COc1ccccc1OC[C@@H](C)CNC(=O)Cc1ccc([O-])cc1Cl ZINC000135223296 495264817 /nfs/dbraw/zinc/26/48/17/495264817.db2.gz OTMPXJCTCSGYJS-ZDUSSCGKSA-N -1 3 363.841 3.428 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1ccc(Oc2cccnc2)cc1 ZINC000104115834 495268116 /nfs/dbraw/zinc/26/81/16/495268116.db2.gz GAUSXIPFQMPNDM-UHFFFAOYSA-N -1 3 358.361 3.306 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1ccc(Oc2cccnc2)cc1 ZINC000104115834 495268121 /nfs/dbraw/zinc/26/81/21/495268121.db2.gz GAUSXIPFQMPNDM-UHFFFAOYSA-N -1 3 358.361 3.306 20 0 FGADHM CS(=O)(=O)c1ccc(Cl)c([N-]C(=O)c2c(F)cc(F)cc2F)c1 ZINC000129652717 495275524 /nfs/dbraw/zinc/27/55/24/495275524.db2.gz IRMGDKPBYKAHBT-UHFFFAOYSA-N -1 3 363.744 3.413 20 0 FGADHM CCC(CC)N(CC)C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000574433903 505771971 /nfs/dbraw/zinc/77/19/71/505771971.db2.gz GZCSDOWELCRABK-UHFFFAOYSA-N -1 3 371.478 3.309 20 0 FGADHM COc1ccc(CCCCC(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000104367134 495280205 /nfs/dbraw/zinc/28/02/05/495280205.db2.gz ODDQZFZXDYQWHR-UHFFFAOYSA-N -1 3 351.410 3.227 20 0 FGADHM COc1ccc(CCCCC(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000104367134 495280209 /nfs/dbraw/zinc/28/02/09/495280209.db2.gz ODDQZFZXDYQWHR-UHFFFAOYSA-N -1 3 351.410 3.227 20 0 FGADHM Cc1ncc(CNC(=O)NC[C@@H]2C[C@@H](C(C)C)c3ccccc32)c(=O)[n-]1 ZINC000571611054 505772357 /nfs/dbraw/zinc/77/23/57/505772357.db2.gz GKIHYRLIXRLPEG-KSSFIOAISA-N -1 3 354.454 3.217 20 0 FGADHM O=S(=O)([N-]CCNc1nc(-c2ccccc2)cs1)c1cccs1 ZINC000120015386 495289088 /nfs/dbraw/zinc/28/90/88/495289088.db2.gz RXVDJEIOIPWOGR-UHFFFAOYSA-N -1 3 365.505 3.262 20 0 FGADHM COc1ccc(C(=O)NC[C@@H]2CCCN(C)[C@H]2c2cccs2)c([O-])c1 ZINC000129816110 495299996 /nfs/dbraw/zinc/29/99/96/495299996.db2.gz GVTCXGAXWKHQRW-SCLBCKFNSA-N -1 3 360.479 3.275 20 0 FGADHM COc1ccc(N(C(=O)CCc2c(C)nc(C)[n-]c2=O)[C@H](C)C2CC2)cc1 ZINC000124593790 495313020 /nfs/dbraw/zinc/31/30/20/495313020.db2.gz DWYMPVUITAYAKE-CQSZACIVSA-N -1 3 369.465 3.160 20 0 FGADHM Cc1ccc(-n2cnnc2SCC(=O)Nc2ccc([O-])cc2F)cc1 ZINC000124607418 495315499 /nfs/dbraw/zinc/31/54/99/495315499.db2.gz KDHOMAAJKWYFBV-UHFFFAOYSA-N -1 3 358.398 3.151 20 0 FGADHM CCOC(=O)c1ccc(NC(=O)c2ccc(-n3cc(C)cn3)cc2)c([O-])c1 ZINC000124769245 495340982 /nfs/dbraw/zinc/34/09/82/495340982.db2.gz PKUWAISOLSQKBY-UHFFFAOYSA-N -1 3 365.389 3.315 20 0 FGADHM CCOC(=O)c1ccc(NC(=O)c2ccc(Cn3cccn3)cc2)c([O-])c1 ZINC000124784853 495343292 /nfs/dbraw/zinc/34/32/92/495343292.db2.gz VZGVISCHVYYPJQ-UHFFFAOYSA-N -1 3 365.389 3.066 20 0 FGADHM C[C@]1(C[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)CCCC[C@H]1O ZINC000124845922 495353193 /nfs/dbraw/zinc/35/31/93/495353193.db2.gz WIIKTFWHSGLAHL-ZIAGYGMSSA-N -1 3 369.380 3.064 20 0 FGADHM O=C(Cc1ccc([O-])cc1Cl)N1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000136095325 495355804 /nfs/dbraw/zinc/35/58/04/495355804.db2.gz YXAONGPRSLXFRW-HNNXBMFYSA-N -1 3 372.852 3.465 20 0 FGADHM CC[C@@H](C)NC(=O)c1cccc(CNC(=O)Cc2ccc([O-])cc2Cl)c1 ZINC000136177469 495361490 /nfs/dbraw/zinc/36/14/90/495361490.db2.gz SCLDBPVQXOAZKF-CYBMUJFWSA-N -1 3 374.868 3.433 20 0 FGADHM CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)Cc2ccc([O-])cc2Cl)C1 ZINC000136233692 495366210 /nfs/dbraw/zinc/36/62/10/495366210.db2.gz MAQYJCURPNZBCS-UKRRQHHQSA-N -1 3 366.889 3.132 20 0 FGADHM CN(C)CCN(Cc1ccccc1F)C(=O)c1ccc([O-])c(Cl)c1 ZINC000124956068 495369872 /nfs/dbraw/zinc/36/98/72/495369872.db2.gz YKCQHJBMOCCCSS-UHFFFAOYSA-N -1 3 350.821 3.389 20 0 FGADHM COc1cc(C(=O)Nc2ccc3[nH]c(C(F)F)nc3c2)cc(OC)c1[O-] ZINC000130348483 495377234 /nfs/dbraw/zinc/37/72/34/495377234.db2.gz WFNITFBSNDBUHQ-UHFFFAOYSA-N -1 3 363.320 3.476 20 0 FGADHM CC(C)c1cc(C[N-]S(=O)(=O)Cc2cccc(C(F)(F)F)c2)on1 ZINC000114499082 495386690 /nfs/dbraw/zinc/38/66/90/495386690.db2.gz DRYXJONRLQSXSQ-UHFFFAOYSA-N -1 3 362.373 3.436 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N[C@@H]3[C@@H]4CCc5ccccc5[C@@H]43)c[n-]c12 ZINC000120628947 495421598 /nfs/dbraw/zinc/42/15/98/495421598.db2.gz FQZFYLDJWIQFAT-MOXGXCLJSA-N -1 3 362.404 3.434 20 0 FGADHM CC(C)[C@@H]1CCCN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])CC1 ZINC000114800329 495427504 /nfs/dbraw/zinc/42/75/04/495427504.db2.gz JCBIMEVTTRLKKA-AEFFLSMTSA-N -1 3 358.482 3.282 20 0 FGADHM CC(C)[C@H]1CCCN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])CC1 ZINC000114800334 495427563 /nfs/dbraw/zinc/42/75/63/495427563.db2.gz JCBIMEVTTRLKKA-FUHWJXTLSA-N -1 3 358.482 3.282 20 0 FGADHM Cc1ccc(NC(=O)Cc2ccccc2I)c([O-])c1 ZINC000137199791 495429438 /nfs/dbraw/zinc/42/94/38/495429438.db2.gz FJTQGEBBOJQYIK-UHFFFAOYSA-N -1 3 367.186 3.486 20 0 FGADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1cc(C(F)(F)F)ccc1F ZINC000120665363 495430637 /nfs/dbraw/zinc/43/06/37/495430637.db2.gz RSROKZCKRBNSAR-UHFFFAOYSA-N -1 3 365.290 3.201 20 0 FGADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1cc(C(F)(F)F)ccc1F ZINC000120665363 495430639 /nfs/dbraw/zinc/43/06/39/495430639.db2.gz RSROKZCKRBNSAR-UHFFFAOYSA-N -1 3 365.290 3.201 20 0 FGADHM CCCC(=O)N1CCC[C@H](C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)C1 ZINC000125400549 495438706 /nfs/dbraw/zinc/43/87/06/495438706.db2.gz BYEQKMUXAAVAQM-NSHDSACASA-N -1 3 358.360 3.388 20 0 FGADHM CCOC(=O)c1c[n-]n(C2CCN([C@@H](C)c3ccccc3F)CC2)c1=N ZINC000120732831 495446106 /nfs/dbraw/zinc/44/61/06/495446106.db2.gz UECHNVLQONWZCU-ZDUSSCGKSA-N -1 3 360.433 3.010 20 0 FGADHM O=C(CCCOc1ccc(Cl)cc1)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000120737524 495446299 /nfs/dbraw/zinc/44/62/99/495446299.db2.gz VOADXNBSWIVDLH-UHFFFAOYSA-N -1 3 371.828 3.242 20 0 FGADHM O=C(CCCOc1ccc(Cl)cc1)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000120737524 495446303 /nfs/dbraw/zinc/44/63/03/495446303.db2.gz VOADXNBSWIVDLH-UHFFFAOYSA-N -1 3 371.828 3.242 20 0 FGADHM C[C@@H](C(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1)c1ccccc1 ZINC000120892178 495479449 /nfs/dbraw/zinc/47/94/49/495479449.db2.gz BYEVMBZJEHXYQH-OAHLLOKOSA-N -1 3 352.434 3.373 20 0 FGADHM COc1ccc([O-])c(C(=O)Nc2ccc(Cl)c(C[S@](C)=O)c2)c1 ZINC000115265101 495481385 /nfs/dbraw/zinc/48/13/85/495481385.db2.gz CICHZWDDOAGLSB-HSZRJFAPSA-N -1 3 353.827 3.185 20 0 FGADHM CC[C@H](C)[C@@H](C)NC(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000139713386 495482544 /nfs/dbraw/zinc/48/25/44/495482544.db2.gz LSTZGJAJEMMSCJ-NWDGAFQWSA-N -1 3 357.476 3.013 20 0 FGADHM CC(C)COc1ccc(CC(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000106733771 495490190 /nfs/dbraw/zinc/49/01/90/495490190.db2.gz HBXCMJRCBNGZNV-UHFFFAOYSA-N -1 3 351.410 3.083 20 0 FGADHM CC(C)COc1ccc(CC(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000106733771 495490191 /nfs/dbraw/zinc/49/01/91/495490191.db2.gz HBXCMJRCBNGZNV-UHFFFAOYSA-N -1 3 351.410 3.083 20 0 FGADHM O=S(=O)([N-]Cc1ccccc1C(F)(F)F)c1ccc(F)c(F)c1 ZINC000107004274 495520571 /nfs/dbraw/zinc/52/05/71/495520571.db2.gz WZBMWHYINBONRU-UHFFFAOYSA-N -1 3 351.296 3.462 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)NCc2ccc(Br)cc2)c1 ZINC000107039635 495520619 /nfs/dbraw/zinc/52/06/19/495520619.db2.gz JMKLPPUBAWUIRM-UHFFFAOYSA-N -1 3 363.211 3.043 20 0 FGADHM Cc1cnc([C@@H]([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)C2CC2)s1 ZINC000173486989 495554141 /nfs/dbraw/zinc/55/41/41/495554141.db2.gz OHNUQRBGLFJTAY-HWPZZCPQSA-N -1 3 364.492 3.205 20 0 FGADHM COc1nnc(NC(=O)[C@H]2CC=CC[C@H]2c2nc3ccccc3s2)[n-]1 ZINC000179377146 495566696 /nfs/dbraw/zinc/56/66/96/495566696.db2.gz GUALEFROZRBVAY-WDEREUQCSA-N -1 3 355.423 3.112 20 0 FGADHM COc1nc(NC(=O)[C@H]2CC=CC[C@H]2c2nc3ccccc3s2)n[n-]1 ZINC000179377146 495566700 /nfs/dbraw/zinc/56/67/00/495566700.db2.gz GUALEFROZRBVAY-WDEREUQCSA-N -1 3 355.423 3.112 20 0 FGADHM COc1n[n-]c(NC(=O)[C@H]2CC=CC[C@H]2c2nc3ccccc3s2)n1 ZINC000179377146 495566706 /nfs/dbraw/zinc/56/67/06/495566706.db2.gz GUALEFROZRBVAY-WDEREUQCSA-N -1 3 355.423 3.112 20 0 FGADHM CC[C@@H](C)N(Cc1ccccc1)C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000170701270 495573141 /nfs/dbraw/zinc/57/31/41/495573141.db2.gz RZLXJHJJCDWGKA-CYBMUJFWSA-N -1 3 351.406 3.403 20 0 FGADHM Cc1occc1CN(C)C(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000185433847 495576146 /nfs/dbraw/zinc/57/61/46/495576146.db2.gz YZYMBZRJJMQFQV-UHFFFAOYSA-N -1 3 369.377 3.115 20 0 FGADHM CC(C)CC(=O)N1CCC(NC(=O)c2ccc3c(c2[O-])CCCC3)CC1 ZINC000185448712 495580284 /nfs/dbraw/zinc/58/02/84/495580284.db2.gz HDTJQRTWWJYCHL-UHFFFAOYSA-N -1 3 358.482 3.038 20 0 FGADHM Cc1ccc2c(ncc(C(=O)[O-])c2N2CCCN(CC(F)F)CC2)c1C ZINC000571687029 505790851 /nfs/dbraw/zinc/79/08/51/505790851.db2.gz GJXIRSLZMNVNRT-UHFFFAOYSA-N -1 3 363.408 3.327 20 0 FGADHM C[C@@H](Cc1ccccc1C(F)(F)F)N(C)C(=O)Cc1cncc([O-])c1 ZINC000580580902 505790863 /nfs/dbraw/zinc/79/08/63/505790863.db2.gz GGFYPGXAEUSFAF-LBPRGKRZSA-N -1 3 352.356 3.438 20 0 FGADHM C[C@H](CC(=O)Nc1cc(Cl)ccc1[O-])S(=O)(=O)c1ccc(F)cc1 ZINC000179464105 495601581 /nfs/dbraw/zinc/60/15/81/495601581.db2.gz KSASBXQIYZDABW-SNVBAGLBSA-N -1 3 371.817 3.376 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCC2(C)CCCC2)c1 ZINC000179488489 495611679 /nfs/dbraw/zinc/61/16/79/495611679.db2.gz IXTBQUUJUBHSDI-UHFFFAOYSA-N -1 3 357.410 3.251 20 0 FGADHM O=C(NCc1cccc(Cn2cnc3ccccc32)c1)c1ccc(O)cc1[O-] ZINC000179489112 495612002 /nfs/dbraw/zinc/61/20/02/495612002.db2.gz XSBNRBROMFRSNJ-UHFFFAOYSA-N -1 3 373.412 3.426 20 0 FGADHM C[C@H](CCc1cccn1C)[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000173608018 495612697 /nfs/dbraw/zinc/61/26/97/495612697.db2.gz TYXONHDCPQXPRF-GFCCVEGCSA-N -1 3 360.401 3.344 20 0 FGADHM CSc1cnn(-c2ccccc2)c1[N-]C(=O)c1cn(CCC(C)C)nn1 ZINC000150720787 495614482 /nfs/dbraw/zinc/61/44/82/495614482.db2.gz QYCPSDBVYICHTG-UHFFFAOYSA-N -1 3 370.482 3.484 20 0 FGADHM O=S(=O)([N-]Cc1cc2ccccc2o1)c1ccc(Br)cn1 ZINC000577794520 505793480 /nfs/dbraw/zinc/79/34/80/505793480.db2.gz CUDIDNSKVCRUJV-UHFFFAOYSA-N -1 3 367.224 3.069 20 0 FGADHM O=c1n2ccccc2nn1Cc1cccc(NCc2cc([O-])cc(F)c2)c1 ZINC000185587921 495634142 /nfs/dbraw/zinc/63/41/42/495634142.db2.gz RWBYICQUHXTMOP-UHFFFAOYSA-N -1 3 364.380 3.001 20 0 FGADHM CC(C)C1CCC(CNC(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)CC1 ZINC000159035148 495641749 /nfs/dbraw/zinc/64/17/49/495641749.db2.gz QPBKUDINSIAEGA-UHFFFAOYSA-N -1 3 370.490 3.389 20 0 FGADHM c1ccc(CCc2noc(CSc3n[n-]c(-c4ccccn4)n3)n2)cc1 ZINC000173694392 495651183 /nfs/dbraw/zinc/65/11/83/495651183.db2.gz UMBABIHDKBIYAU-UHFFFAOYSA-N -1 3 364.434 3.327 20 0 FGADHM COc1cc(OC)cc(S(=O)(=O)[N-]c2c(F)cccc2NC(C)C)c1 ZINC000179609372 495659045 /nfs/dbraw/zinc/65/90/45/495659045.db2.gz RMWWFJZRSDTLOU-UHFFFAOYSA-N -1 3 368.430 3.464 20 0 FGADHM CC(C)OCCS(=O)(=O)[N-]c1ccc(NC(=O)c2cccs2)cc1 ZINC000176467276 495659970 /nfs/dbraw/zinc/65/99/70/495659970.db2.gz WWFFYUMLCXLDEB-UHFFFAOYSA-N -1 3 368.480 3.167 20 0 FGADHM CC(C)(C(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1cccc(Cl)c1F ZINC000185649967 495661309 /nfs/dbraw/zinc/66/13/09/495661309.db2.gz WGLFYMCUSFVYNO-UHFFFAOYSA-N -1 3 373.819 3.253 20 0 FGADHM CC(C)(C(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1cccc(Cl)c1F ZINC000185649967 495661312 /nfs/dbraw/zinc/66/13/12/495661312.db2.gz WGLFYMCUSFVYNO-UHFFFAOYSA-N -1 3 373.819 3.253 20 0 FGADHM C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000179640273 495672585 /nfs/dbraw/zinc/67/25/85/495672585.db2.gz ITNQKCGFASTIPV-VIFPVBQESA-N -1 3 353.205 3.456 20 0 FGADHM O=C(Nc1nnc(-c2ccccn2)[n-]1)c1cccc(-c2noc(C3CC3)n2)c1 ZINC000173750825 495675932 /nfs/dbraw/zinc/67/59/32/495675932.db2.gz SUGNBNRDFSIHGT-UHFFFAOYSA-N -1 3 373.376 3.046 20 0 FGADHM O=C(Nc1nc(-c2ccccn2)n[n-]1)c1cccc(-c2noc(C3CC3)n2)c1 ZINC000173750825 495675938 /nfs/dbraw/zinc/67/59/38/495675938.db2.gz SUGNBNRDFSIHGT-UHFFFAOYSA-N -1 3 373.376 3.046 20 0 FGADHM O=C(Nc1n[n-]c(-c2ccccn2)n1)c1cccc(-c2noc(C3CC3)n2)c1 ZINC000173750825 495675941 /nfs/dbraw/zinc/67/59/41/495675941.db2.gz SUGNBNRDFSIHGT-UHFFFAOYSA-N -1 3 373.376 3.046 20 0 FGADHM Cc1ccc(OC2CCN(C(=O)c3cccc4[n-]nnc43)CC2)cc1C ZINC000182745981 495686727 /nfs/dbraw/zinc/68/67/27/495686727.db2.gz NYLDKACBOHGMPA-UHFFFAOYSA-N -1 3 350.422 3.258 20 0 FGADHM Cc1ccc(OC2CCN(C(=O)c3cccc4nn[n-]c43)CC2)cc1C ZINC000182745981 495686733 /nfs/dbraw/zinc/68/67/33/495686733.db2.gz NYLDKACBOHGMPA-UHFFFAOYSA-N -1 3 350.422 3.258 20 0 FGADHM Cc1ccc(OC2CCN(C(=O)c3cccc4n[n-]nc43)CC2)cc1C ZINC000182745981 495686738 /nfs/dbraw/zinc/68/67/38/495686738.db2.gz NYLDKACBOHGMPA-UHFFFAOYSA-N -1 3 350.422 3.258 20 0 FGADHM CN(Cc1cc(Br)ccc1F)C(=O)c1cccc2[n-]nnc21 ZINC000182754389 495690355 /nfs/dbraw/zinc/69/03/55/495690355.db2.gz HGHMHIVXANQGQD-UHFFFAOYSA-N -1 3 363.190 3.132 20 0 FGADHM CN(Cc1cc(Br)ccc1F)C(=O)c1cccc2nn[n-]c21 ZINC000182754389 495690359 /nfs/dbraw/zinc/69/03/59/495690359.db2.gz HGHMHIVXANQGQD-UHFFFAOYSA-N -1 3 363.190 3.132 20 0 FGADHM CN(Cc1cc(Br)ccc1F)C(=O)c1cccc2n[n-]nc21 ZINC000182754389 495690365 /nfs/dbraw/zinc/69/03/65/495690365.db2.gz HGHMHIVXANQGQD-UHFFFAOYSA-N -1 3 363.190 3.132 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@@H]3CCCOC3)cc2)cc1 ZINC000171024312 495694821 /nfs/dbraw/zinc/69/48/21/495694821.db2.gz HLLPZUHUKXSTMA-OAHLLOKOSA-N -1 3 374.462 3.161 20 0 FGADHM COCc1cc(C(=O)[N-]c2ncc(Cc3ccc(F)cc3F)s2)no1 ZINC000173798226 495697886 /nfs/dbraw/zinc/69/78/86/495697886.db2.gz AYSAEOZPBDDCRU-UHFFFAOYSA-N -1 3 365.361 3.399 20 0 FGADHM O=S(=O)([N-][C@@H](c1ccccc1)[C@H]1CCCO1)c1ccc(F)c(F)c1 ZINC000171042009 495700132 /nfs/dbraw/zinc/70/01/32/495700132.db2.gz BDLJIFSHOSILEX-SJORKVTESA-N -1 3 353.390 3.163 20 0 FGADHM O=S(=O)([N-][C@@H](c1ccccc1)[C@@H]1CCCO1)c1ccc(F)c(F)c1 ZINC000171042004 495700149 /nfs/dbraw/zinc/70/01/49/495700149.db2.gz BDLJIFSHOSILEX-IRXDYDNUSA-N -1 3 353.390 3.163 20 0 FGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]C[C@@H]3C[C@@H](C)O[C@H]3C)s2)cs1 ZINC000574545830 505798328 /nfs/dbraw/zinc/79/83/28/505798328.db2.gz XYTYWTYXZKUPGZ-SCVCMEIPSA-N -1 3 372.537 3.272 20 0 FGADHM O=C(c1c[n-]c2c(F)cc(F)cc2c1=O)N1CCSC[C@H]1C1CCC1 ZINC000577830619 505800134 /nfs/dbraw/zinc/80/01/34/505800134.db2.gz KXXSVTFHOJLDPX-HNNXBMFYSA-N -1 3 364.417 3.164 20 0 FGADHM CCc1c(C)sc2nc(-c3ccc(N4CCOCC4)c(F)c3)[n-]c(=O)c12 ZINC000171126212 495734998 /nfs/dbraw/zinc/73/49/98/495734998.db2.gz IEMJGTLQIJJHKY-UHFFFAOYSA-N -1 3 373.453 3.498 20 0 FGADHM Cc1cc(Cl)cc(NC(=O)[C@@H]2CSCN2C(=O)C(C)(C)C)c1[O-] ZINC000179804900 495739972 /nfs/dbraw/zinc/73/99/72/495739972.db2.gz JCHNBJBBZZEEHH-LBPRGKRZSA-N -1 3 356.875 3.240 20 0 FGADHM C[C@@H](C(=O)Nc1cc(Cc2ccccc2)ccc1[O-])N1CCSCC1 ZINC000179809625 495743088 /nfs/dbraw/zinc/74/30/88/495743088.db2.gz IHHKTOGXRCFWPV-HNNXBMFYSA-N -1 3 356.491 3.359 20 0 FGADHM Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)[N-]c1ncnn1C ZINC000151127066 495746473 /nfs/dbraw/zinc/74/64/73/495746473.db2.gz WQWPLILRGDPAQH-UHFFFAOYSA-N -1 3 352.181 3.338 20 0 FGADHM CCSCCCNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000577838455 505801474 /nfs/dbraw/zinc/80/14/74/505801474.db2.gz KXAJIFOQMWGLNS-UHFFFAOYSA-N -1 3 369.284 3.164 20 0 FGADHM O=S(=O)([N-]c1ccc(F)cc1F)c1cc2c(cc1Cl)OCCO2 ZINC000171179868 495756447 /nfs/dbraw/zinc/75/64/47/495756447.db2.gz TUUBDYGHLJQNHP-UHFFFAOYSA-N -1 3 361.753 3.190 20 0 FGADHM COc1ccc(Cn2cc(C(=O)N3CCCc4cccc([O-])c43)cn2)cc1 ZINC000182923598 495758654 /nfs/dbraw/zinc/75/86/54/495758654.db2.gz DTCBORWADZDUNL-UHFFFAOYSA-N -1 3 363.417 3.239 20 0 FGADHM O=c1[n-]c(SCCCOc2ccc3ccccc3c2)nc2[nH]ncc21 ZINC000171218531 495774564 /nfs/dbraw/zinc/77/45/64/495774564.db2.gz GMBKURMLFKGWPE-UHFFFAOYSA-N -1 3 352.419 3.361 20 0 FGADHM CCC[C@@H](CC)[N-]S(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1 ZINC000179930206 495787783 /nfs/dbraw/zinc/78/77/83/495787783.db2.gz SKXVCNYCEACKLL-CYBMUJFWSA-N -1 3 374.572 3.310 20 0 FGADHM C[C@H]([N-]S(=O)(=O)CC1CCCCC1)c1nc(-c2cccc(F)c2)no1 ZINC000174044492 495800896 /nfs/dbraw/zinc/80/08/96/495800896.db2.gz GTWOFWSGSLDAHX-LBPRGKRZSA-N -1 3 367.446 3.436 20 0 FGADHM CC(C)[C@H](C)C[N-]S(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1 ZINC000179959492 495801276 /nfs/dbraw/zinc/80/12/76/495801276.db2.gz ARUREBOVKDHOSW-CYBMUJFWSA-N -1 3 374.572 3.023 20 0 FGADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1cccc(Br)c1Cl ZINC000183082776 495826417 /nfs/dbraw/zinc/82/64/17/495826417.db2.gz BCYXFOYOWCXIHN-UHFFFAOYSA-N -1 3 369.528 3.492 20 0 FGADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1cccc(Br)c1Cl ZINC000183082776 495826423 /nfs/dbraw/zinc/82/64/23/495826423.db2.gz BCYXFOYOWCXIHN-UHFFFAOYSA-N -1 3 369.528 3.492 20 0 FGADHM CC(C)(C)C[C@@H](NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)C(F)(F)F ZINC000180020275 495826510 /nfs/dbraw/zinc/82/65/10/495826510.db2.gz ODDUTAMOHNRHBK-LLVKDONJSA-N -1 3 357.332 3.059 20 0 FGADHM CCC1(CC)CN(C(=O)c2c[n-]c3c(C)cc(C)cc3c2=O)CC[S@]1=O ZINC000186055497 495838722 /nfs/dbraw/zinc/83/87/22/495838722.db2.gz XJSGBAWKQAIWFM-AREMUKBSSA-N -1 3 374.506 3.321 20 0 FGADHM Cn1c(=O)oc2cc(NC(=O)c3c[n-]nc3-c3cccc(Cl)c3)ccc21 ZINC000151444495 495841851 /nfs/dbraw/zinc/84/18/51/495841851.db2.gz HQGKDZGABHAFCN-UHFFFAOYSA-N -1 3 368.780 3.427 20 0 FGADHM O=C(Nc1cccc(CCC(F)(F)F)c1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000176972353 495864515 /nfs/dbraw/zinc/86/45/15/495864515.db2.gz APIBGWGSSSWIOY-UHFFFAOYSA-N -1 3 362.307 3.317 20 0 FGADHM CC(C)n1c(CNC(=O)c2c[n-]nc2-c2ccccn2)nc2ccccc21 ZINC000568923432 505809039 /nfs/dbraw/zinc/80/90/39/505809039.db2.gz DYDCHUWBYNWIAY-UHFFFAOYSA-N -1 3 360.421 3.332 20 0 FGADHM COCc1cccc(C(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000151552129 495876420 /nfs/dbraw/zinc/87/64/20/495876420.db2.gz PESUOUBTQFHPEI-UHFFFAOYSA-N -1 3 350.212 3.231 20 0 FGADHM O=C(CCCOc1cccnc1)NCc1ccc([O-])c(Br)c1 ZINC000151578264 495884272 /nfs/dbraw/zinc/88/42/72/495884272.db2.gz NMDUWSAPYCJVFI-UHFFFAOYSA-N -1 3 365.227 3.025 20 0 FGADHM COCCCn1ccc(NC(=O)c2c[n-]nc2-c2cccc(Cl)c2)n1 ZINC000155231660 495884777 /nfs/dbraw/zinc/88/47/77/495884777.db2.gz CTDCBMQRDFVPND-UHFFFAOYSA-N -1 3 359.817 3.215 20 0 FGADHM COCCCn1ccc(NC(=O)c2cn[n-]c2-c2cccc(Cl)c2)n1 ZINC000155231660 495884782 /nfs/dbraw/zinc/88/47/82/495884782.db2.gz CTDCBMQRDFVPND-UHFFFAOYSA-N -1 3 359.817 3.215 20 0 FGADHM O=C(Nc1ccc(Cl)cn1)[C@@H]1CCCN(Cc2cc([O-])cc(F)c2)C1 ZINC000186189196 495888949 /nfs/dbraw/zinc/88/89/49/495888949.db2.gz XWTJQMWCUYCKBB-CYBMUJFWSA-N -1 3 363.820 3.430 20 0 FGADHM C[C@H]1C[C@@H](C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)CC(C)(C)C1 ZINC000183247112 495896317 /nfs/dbraw/zinc/89/63/17/495896317.db2.gz GLPHBZLXCVTXGD-JKSUJKDBSA-N -1 3 358.482 3.139 20 0 FGADHM CN(Cc1cc([O-])cc(F)c1)C[C@H](c1cccs1)N1CCOCC1 ZINC000186219958 495901200 /nfs/dbraw/zinc/90/12/00/495901200.db2.gz XBQYWBDJGNKWLB-QGZVFWFLSA-N -1 3 350.459 3.098 20 0 FGADHM C[C@H](Oc1cccc(F)c1)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000151638756 495902148 /nfs/dbraw/zinc/90/21/48/495902148.db2.gz HWYGFTVLMLSYAA-JTQLQIEISA-N -1 3 368.202 3.378 20 0 FGADHM O=C(NCc1ccc([O-])c(Br)c1)c1ccn(C2CCCC2)n1 ZINC000151647389 495905408 /nfs/dbraw/zinc/90/54/08/495905408.db2.gz VGQBLYWTKMVJLN-UHFFFAOYSA-N -1 3 364.243 3.396 20 0 FGADHM O=C1[N-]C(=O)C(=CN[C@H](c2nccs2)c2ccccc2)c2ccccc21 ZINC000171519692 495910729 /nfs/dbraw/zinc/91/07/29/495910729.db2.gz GTUHJRDXNKEOCI-MOKGIYGOSA-N -1 3 361.426 3.133 20 0 FGADHM CCc1cc2c(CN(C)Cc3ncc(Cl)n3C)cc(=O)oc2cc1[O-] ZINC000183281683 495914232 /nfs/dbraw/zinc/91/42/32/495914232.db2.gz BVDUUUFCHYTAAE-UHFFFAOYSA-N -1 3 361.829 3.080 20 0 FGADHM CC1(C)C[C@@H]([N-]S(=O)(=O)c2ccc(Br)s2)C(C)(C)O1 ZINC000183319223 495928608 /nfs/dbraw/zinc/92/86/08/495928608.db2.gz BTLFXBPUCNKYGA-MRVPVSSYSA-N -1 3 368.318 3.135 20 0 FGADHM C[C@@H]1CCN(C(=O)c2ccc(-n3cnnn3)cc2Cl)c2c([O-])cccc21 ZINC000186306160 495938641 /nfs/dbraw/zinc/93/86/41/495938641.db2.gz UBBIDHQGSDEBCL-LLVKDONJSA-N -1 3 369.812 3.175 20 0 FGADHM CCOCc1ccc(CNC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)cc1 ZINC000155400338 495945385 /nfs/dbraw/zinc/94/53/85/495945385.db2.gz DNUAFSUWMBMTKV-UHFFFAOYSA-N -1 3 368.408 3.442 20 0 FGADHM CCC(C)(C)NC(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000183358495 495946332 /nfs/dbraw/zinc/94/63/32/495946332.db2.gz RFUXDXSHQPHPPC-UHFFFAOYSA-N -1 3 361.467 3.257 20 0 FGADHM Cc1ccc([O-])c(C(=O)N2CCC([C@@H](C)NC(=O)OC(C)(C)C)CC2)c1 ZINC000171621477 495952816 /nfs/dbraw/zinc/95/28/16/495952816.db2.gz VPXDXYXOVKYABP-CQSZACIVSA-N -1 3 362.470 3.466 20 0 FGADHM C[C@H]1CCN(C(=O)CSc2nnc3ccccn32)c2c([O-])cccc21 ZINC000186343623 495956868 /nfs/dbraw/zinc/95/68/68/495956868.db2.gz WQENELNYNAIZHZ-LBPRGKRZSA-N -1 3 354.435 3.067 20 0 FGADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3ccc(F)c(F)c3F)cc2)n1 ZINC000177178198 495962383 /nfs/dbraw/zinc/96/23/83/495962383.db2.gz QLYTTZITIDAGAT-UHFFFAOYSA-N -1 3 359.307 3.415 20 0 FGADHM CN(C(=O)Cc1csc(NC(=O)c2cccc([O-])c2)n1)c1ccccc1 ZINC000183394509 495962478 /nfs/dbraw/zinc/96/24/78/495962478.db2.gz GOWKPQMUMSHJJL-UHFFFAOYSA-N -1 3 367.430 3.307 20 0 FGADHM C[C@H]1C[C@@H]1CC(=O)Nc1n[n-]c(-c2ccc(Br)cc2F)n1 ZINC000577923053 505818204 /nfs/dbraw/zinc/81/82/04/505818204.db2.gz SIUQQMXYINVLNK-JGVFFNPUSA-N -1 3 353.195 3.358 20 0 FGADHM O=C(NCC(F)F)c1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000174541789 496002425 /nfs/dbraw/zinc/00/24/25/496002425.db2.gz WWAYTUOZYJBPCY-UHFFFAOYSA-N -1 3 374.796 3.136 20 0 FGADHM CN(C)CCN(Cc1ccc(F)cc1)C(=O)c1cc(F)c(F)c([O-])c1F ZINC000183506658 496014163 /nfs/dbraw/zinc/01/41/63/496014163.db2.gz FBUDSOAIIWKOBS-UHFFFAOYSA-N -1 3 370.346 3.153 20 0 FGADHM O=C(CCc1nc(-c2cccs2)no1)N1CCCc2cccc([O-])c21 ZINC000155633521 496019257 /nfs/dbraw/zinc/01/92/57/496019257.db2.gz VJHVMCCHRWCNMW-UHFFFAOYSA-N -1 3 355.419 3.416 20 0 FGADHM COC[C@H]([N-]S(=O)(=O)c1ccc(F)cc1F)c1cccc(Cl)c1 ZINC000574627320 505818646 /nfs/dbraw/zinc/81/86/46/505818646.db2.gz UWZKUHODPZIVKF-AWEZNQCLSA-N -1 3 361.797 3.284 20 0 FGADHM COc1cc(C(=O)Nc2ccccc2-n2nccc2C)cc(OC)c1[O-] ZINC000183558566 496029793 /nfs/dbraw/zinc/02/97/93/496029793.db2.gz NHXRWWAEFWRJRL-UHFFFAOYSA-N -1 3 353.378 3.156 20 0 FGADHM COc1ccc(CNC(=O)c2cccc3nn[n-]c32)cc1OC1CCCC1 ZINC000183564734 496032524 /nfs/dbraw/zinc/03/25/24/496032524.db2.gz SWRYHAALMUGRAN-UHFFFAOYSA-N -1 3 366.421 3.218 20 0 FGADHM COc1ccc(CNC(=O)c2cccc3[n-]nnc32)cc1OC1CCCC1 ZINC000183564734 496032529 /nfs/dbraw/zinc/03/25/29/496032529.db2.gz SWRYHAALMUGRAN-UHFFFAOYSA-N -1 3 366.421 3.218 20 0 FGADHM COc1ccc(CNC(=O)c2cccc3n[n-]nc32)cc1OC1CCCC1 ZINC000183564734 496032535 /nfs/dbraw/zinc/03/25/35/496032535.db2.gz SWRYHAALMUGRAN-UHFFFAOYSA-N -1 3 366.421 3.218 20 0 FGADHM C[C@H](Cc1ccccc1)C(=O)Nc1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000171820231 496049902 /nfs/dbraw/zinc/04/99/02/496049902.db2.gz QVYBFSRPBDIFKA-GFCCVEGCSA-N -1 3 350.415 3.015 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(NCc3ccc([C@H](C)O)cc3)nc2)n1 ZINC000171830891 496054808 /nfs/dbraw/zinc/05/48/08/496054808.db2.gz FHEFWVRBOMRWBM-ZDUSSCGKSA-N -1 3 350.422 3.060 20 0 FGADHM C[C@H]1CC[C@H](C)N(C(=O)Cc2csc(NC(=O)c3cccc([O-])c3)n2)C1 ZINC000177420883 496056197 /nfs/dbraw/zinc/05/61/97/496056197.db2.gz FPRJHBJNFKOSSZ-STQMWFEESA-N -1 3 373.478 3.291 20 0 FGADHM Cc1csc(C2([N-]S(=O)(=O)Cc3ccccc3F)CCCC2)n1 ZINC000171838794 496059061 /nfs/dbraw/zinc/05/90/61/496059061.db2.gz KFBOLVQCPUCNNG-UHFFFAOYSA-N -1 3 354.472 3.480 20 0 FGADHM Cc1ccc([C@H]2COCCN2C(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)o1 ZINC000152161909 496066578 /nfs/dbraw/zinc/06/65/78/496066578.db2.gz WBNQVNNBWGLFGD-MRXNPFEDSA-N -1 3 370.380 3.091 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)N[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000180626709 496074710 /nfs/dbraw/zinc/07/47/10/496074710.db2.gz VTXQYAGVXCFDPA-NVXWUHKLSA-N -1 3 366.339 3.139 20 0 FGADHM COc1cc(C(=O)N2CCC[C@H](Nc3ccccc3)C2)cc(OC)c1[O-] ZINC000155835787 496082659 /nfs/dbraw/zinc/08/26/59/496082659.db2.gz PADUSCVVIHLZBV-INIZCTEOSA-N -1 3 356.422 3.126 20 0 FGADHM CCC[C@H](NC(=O)c1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1)c1ccccc1 ZINC000177499924 496087992 /nfs/dbraw/zinc/08/79/92/496087992.db2.gz VAGUJIKRKOYRRN-LAUBAEHRSA-N -1 3 365.433 3.012 20 0 FGADHM O=C(NCc1nc(COc2ccccc2)n[nH]1)c1cc2ccccc2cc1[O-] ZINC000186661511 496096330 /nfs/dbraw/zinc/09/63/30/496096330.db2.gz DNKMUJPHZUWQGM-UHFFFAOYSA-N -1 3 374.400 3.173 20 0 FGADHM O=c1cc(C(F)(F)F)nc(CS(=O)(=O)CCCC2CCCC2)[n-]1 ZINC000155960414 496118338 /nfs/dbraw/zinc/11/83/38/496118338.db2.gz YXIFTYQVMFUIHR-UHFFFAOYSA-N -1 3 352.378 3.086 20 0 FGADHM [O-]c1ccc(CCCc2nc(Cc3cn4ccccc4n3)no2)cc1F ZINC000571837993 505824233 /nfs/dbraw/zinc/82/42/33/505824233.db2.gz DDWWLUSEQUYWRL-UHFFFAOYSA-N -1 3 352.369 3.328 20 0 FGADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)CC(=O)c2cccs2)c(F)cc1F ZINC000152394431 496137892 /nfs/dbraw/zinc/13/78/92/496137892.db2.gz PQMZWARDEOGPPH-JTQLQIEISA-N -1 3 359.419 3.275 20 0 FGADHM CCOc1cccnc1C(=O)[N-]c1ncn(Cc2ccc(Cl)cc2)n1 ZINC000177635218 496140361 /nfs/dbraw/zinc/14/03/61/496140361.db2.gz OCUQYHVRQQWWAZ-UHFFFAOYSA-N -1 3 357.801 3.026 20 0 FGADHM O=C([N-]OCc1cccnc1)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F ZINC000152440352 496152561 /nfs/dbraw/zinc/15/25/61/496152561.db2.gz LDMRRRISOKCMQK-KBPBESRZSA-N -1 3 352.312 3.332 20 0 FGADHM CCOC(=O)c1[nH]c(C)c(S(=O)(=O)[N-]c2ccc(F)cc2Cl)c1C ZINC000177719061 496170422 /nfs/dbraw/zinc/17/04/22/496170422.db2.gz UGACSUBWKYTGPC-UHFFFAOYSA-N -1 3 374.821 3.402 20 0 FGADHM CCCCc1noc(CS(=O)(=O)c2nc(C)c(-c3ccccc3)[n-]2)n1 ZINC000186838470 496175873 /nfs/dbraw/zinc/17/58/73/496175873.db2.gz XHQJJWVTYXFECI-UHFFFAOYSA-N -1 3 360.439 3.085 20 0 FGADHM CCCCc1noc(CS(=O)(=O)c2nc(-c3ccccc3)c(C)[n-]2)n1 ZINC000186838470 496175882 /nfs/dbraw/zinc/17/58/82/496175882.db2.gz XHQJJWVTYXFECI-UHFFFAOYSA-N -1 3 360.439 3.085 20 0 FGADHM Cc1ccc(-c2noc([C@H](C)S(=O)(=O)c3cccc([O-])c3)n2)cc1F ZINC000183980920 496186496 /nfs/dbraw/zinc/18/64/96/496186496.db2.gz XQEHOOFVAPIROC-NSHDSACASA-N -1 3 362.382 3.425 20 0 FGADHM CC1(C)CCC[C@@H]1NC(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000174980740 496192538 /nfs/dbraw/zinc/19/25/38/496192538.db2.gz TXNLLSGZUWFJDW-KRWDZBQOSA-N -1 3 359.470 3.331 20 0 FGADHM CC(C)CC(=O)N[C@H](C(=O)NCc1ccc([O-])c(F)c1)c1ccccc1 ZINC000156293929 496208039 /nfs/dbraw/zinc/20/80/39/496208039.db2.gz UQUZIVIDMARGSL-IBGZPJMESA-N -1 3 358.413 3.051 20 0 FGADHM Cc1ccc(-c2nnc(NC(=O)c3cnc(-c4ccncc4)s3)[n-]2)o1 ZINC000177824914 496211381 /nfs/dbraw/zinc/21/13/81/496211381.db2.gz AWHBSCWTKLBWJL-UHFFFAOYSA-N -1 3 352.379 3.144 20 0 FGADHM COC(=O)c1scc(C)c1[N-]C(=O)c1cnc([C@@H]2CCCO2)s1 ZINC000186939891 496221525 /nfs/dbraw/zinc/22/15/25/496221525.db2.gz XWYPMVYRKZAAEZ-VIFPVBQESA-N -1 3 352.437 3.403 20 0 FGADHM C[C@H](C(F)(F)F)S(=O)(=O)[N-]CC1(N2CCCCC2)CCCCC1 ZINC000184112278 496243356 /nfs/dbraw/zinc/24/33/56/496243356.db2.gz RJCRMWIVBVFYOO-CYBMUJFWSA-N -1 3 356.454 3.045 20 0 FGADHM C[C@@H]1CN(Cc2csc([N-]C(=O)c3sccc3F)n2)C[C@@H](C)O1 ZINC000569023497 505832499 /nfs/dbraw/zinc/83/24/99/505832499.db2.gz PMNPYLHUJMZPNQ-NXEZZACHSA-N -1 3 355.460 3.205 20 0 FGADHM CCCC[C@H]([N-]S(=O)(=O)c1ccc(CNC(C)=O)s1)C1CCC1 ZINC000152785824 496255586 /nfs/dbraw/zinc/25/55/86/496255586.db2.gz HBHLVDTTWVRAQA-HNNXBMFYSA-N -1 3 358.529 3.021 20 0 FGADHM CCOC1CC2(C1)CCN(c1c(C(=O)[O-])cnc3cc4c(cc31)OCO4)C2 ZINC000574693837 505833145 /nfs/dbraw/zinc/83/31/45/505833145.db2.gz CWDLIPCLLKAGJT-UHFFFAOYSA-N -1 3 370.405 3.057 20 0 FGADHM Cc1cc(C)c2[n-]cc(C(=O)N(C)CC(=O)Nc3ccccc3)c(=O)c2c1 ZINC000162086803 496293595 /nfs/dbraw/zinc/29/35/95/496293595.db2.gz ABCDMJGTPYHVOH-UHFFFAOYSA-N -1 3 363.417 3.268 20 0 FGADHM O=C(NCc1ccc([O-])c(Br)c1)Nc1ccc2c(c1)CCO2 ZINC000178065761 496313206 /nfs/dbraw/zinc/31/32/06/496313206.db2.gz HPMKVSSZRYJMRM-UHFFFAOYSA-N -1 3 363.211 3.411 20 0 FGADHM C[C@H](CNC(=O)NCc1ccc([O-])c(Br)c1)c1nccs1 ZINC000184278031 496316239 /nfs/dbraw/zinc/31/62/39/496316239.db2.gz WMVOBOSYAKVOCQ-SECBINFHSA-N -1 3 370.272 3.214 20 0 FGADHM CCN(C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)[C@H](C)Cc1ccsc1 ZINC000187154808 496316438 /nfs/dbraw/zinc/31/64/38/496316438.db2.gz OLEMAGXZQBWQSV-LLVKDONJSA-N -1 3 357.435 3.117 20 0 FGADHM Cc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)ccc1Br ZINC000162228132 496318494 /nfs/dbraw/zinc/31/84/94/496318494.db2.gz PXKSPXTXXDBRCV-UHFFFAOYSA-N -1 3 358.199 3.190 20 0 FGADHM Cc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)ccc1Br ZINC000162228132 496318497 /nfs/dbraw/zinc/31/84/97/496318497.db2.gz PXKSPXTXXDBRCV-UHFFFAOYSA-N -1 3 358.199 3.190 20 0 FGADHM O=C(NCc1cc(Cl)ccc1OC(F)F)c1ccc2n[n-]nc2c1 ZINC000175275558 496319056 /nfs/dbraw/zinc/31/90/56/496319056.db2.gz ISQMBPBRFFXVBZ-UHFFFAOYSA-N -1 3 352.728 3.143 20 0 FGADHM Cc1nn(C(C)(C)C)cc1[C@H](C)[N-]S(=O)(=O)c1ccc(C)cc1F ZINC000152993386 496319308 /nfs/dbraw/zinc/31/93/08/496319308.db2.gz JPHRYZNESMZMAP-ZDUSSCGKSA-N -1 3 353.463 3.434 20 0 FGADHM CCOc1cc(CNCc2ccc(OCCOC)nc2)cc(Cl)c1[O-] ZINC000569044215 505837029 /nfs/dbraw/zinc/83/70/29/505837029.db2.gz VGMBOHPAKPUROE-UHFFFAOYSA-N -1 3 366.845 3.154 20 0 FGADHM Cc1cccc(S(=O)(=O)[N-]C[C@@H]2CCN(c3ccc(F)cc3)C2)c1F ZINC000181238396 496323675 /nfs/dbraw/zinc/32/36/75/496323675.db2.gz YGPRMDOGZYLHLY-AWEZNQCLSA-N -1 3 366.433 3.078 20 0 FGADHM C[C@H](O)C[C@@H]1CCCN1Cc1nc(=O)c2cc(-c3ccccc3)sc2[n-]1 ZINC000153089393 496348622 /nfs/dbraw/zinc/34/86/22/496348622.db2.gz DVPRZZXZXUVJGO-ZFWWWQNUSA-N -1 3 369.490 3.387 20 0 FGADHM Cc1ccc(-c2cc(C(=O)Nc3nc(-c4cnn(C)c4)cs3)n[n-]2)o1 ZINC000172638013 496370216 /nfs/dbraw/zinc/37/02/16/496370216.db2.gz DPKPJFDWIRYBAS-UHFFFAOYSA-N -1 3 354.395 3.087 20 0 FGADHM Cc1ccc(-c2cc(C(=O)Nc3nc(-c4cnn(C)c4)cs3)[n-]n2)o1 ZINC000172638013 496370223 /nfs/dbraw/zinc/37/02/23/496370223.db2.gz DPKPJFDWIRYBAS-UHFFFAOYSA-N -1 3 354.395 3.087 20 0 FGADHM O=C(N[C@H]1CCCOc2cc(F)ccc21)c1c[n-]c2ccccc2c1=O ZINC000181399979 496379668 /nfs/dbraw/zinc/37/96/68/496379668.db2.gz MWTCKSPOPCLMPH-KRWDZBQOSA-N -1 3 352.365 3.311 20 0 FGADHM O=S(=O)([N-][C@H]1CCC[C@H](F)C1)c1cc(F)ccc1Br ZINC000578009090 505840477 /nfs/dbraw/zinc/84/04/77/505840477.db2.gz HKEVGANFZQXDNE-WPRPVWTQSA-N -1 3 354.216 3.147 20 0 FGADHM CC(=O)Nc1ccc(C(=O)N=c2[nH][n-]c(C)c2-c2ccccc2)cc1F ZINC000578010839 505840498 /nfs/dbraw/zinc/84/04/98/505840498.db2.gz ZPBZQWPWSIGHII-UHFFFAOYSA-N -1 3 352.369 3.157 20 0 FGADHM O=S(=O)(Cc1ccccc1F)[N-]Cc1csc(-c2ccco2)n1 ZINC000178248795 496385961 /nfs/dbraw/zinc/38/59/61/496385961.db2.gz AOMGMINDSOZFBQ-UHFFFAOYSA-N -1 3 352.412 3.162 20 0 FGADHM Cc1cccc(S(=O)(=O)[N-][C@H]2CCO[C@H]2c2ccc(F)c(F)c2)c1F ZINC000181425326 496389607 /nfs/dbraw/zinc/38/96/07/496389607.db2.gz QTPANLCKSXIWPF-YOEHRIQHSA-N -1 3 371.380 3.221 20 0 FGADHM Cc1cccc(S(=O)(=O)[N-][C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)c1F ZINC000181425279 496390030 /nfs/dbraw/zinc/39/00/30/496390030.db2.gz QTPANLCKSXIWPF-WMLDXEAASA-N -1 3 371.380 3.221 20 0 FGADHM O=S(=O)([N-][C@@H]1CCO[C@@H](C2CC2)C1)c1ccc(Cl)c(Cl)c1 ZINC000162736874 496404148 /nfs/dbraw/zinc/40/41/48/496404148.db2.gz VZPWAULAPRVYCA-QMTHXVAHSA-N -1 3 350.267 3.229 20 0 FGADHM CCOC(=O)C[C@@H](C)CNC(=O)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000187382949 496419877 /nfs/dbraw/zinc/41/98/77/496419877.db2.gz ABMHUTUJQLWDRC-SECBINFHSA-N -1 3 355.847 3.111 20 0 FGADHM COCc1ccccc1C(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000178344851 496420631 /nfs/dbraw/zinc/42/06/31/496420631.db2.gz ACHWMXAJWXZBHU-UHFFFAOYSA-N -1 3 368.433 3.030 20 0 FGADHM CC[C@@H]1CCCC[C@@H]1OCC(=O)Nc1n[n-]c(-c2ccccc2OC)n1 ZINC000184533150 496426779 /nfs/dbraw/zinc/42/67/79/496426779.db2.gz BFMHMYYVKQQKHA-HIFRSBDPSA-N -1 3 358.442 3.404 20 0 FGADHM CSc1nsc([N-]C(=O)c2nnn(-c3ccccc3Cl)c2C)n1 ZINC000175526384 496426976 /nfs/dbraw/zinc/42/69/76/496426976.db2.gz BMSGOBOIYOPWMD-UHFFFAOYSA-N -1 3 366.859 3.055 20 0 FGADHM O=C(c1ccc(O)cc1[O-])N1CCc2c(Br)ccc(F)c2C1 ZINC000184549269 496434894 /nfs/dbraw/zinc/43/48/94/496434894.db2.gz ISXPQJFJAOWCJQ-UHFFFAOYSA-N -1 3 366.186 3.198 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N3CCO[C@H](c4cccs4)C3)c[n-]c12 ZINC000163243519 496486690 /nfs/dbraw/zinc/48/66/90/496486690.db2.gz ZKHFPQXENJCXEF-HNNXBMFYSA-N -1 3 372.421 3.251 20 0 FGADHM O=S(=O)(Cc1ccc(Cl)cc1Cl)[N-]CC1(O)CCCCC1 ZINC000181651066 496487238 /nfs/dbraw/zinc/48/72/38/496487238.db2.gz JLOMQVAHDVMKBJ-UHFFFAOYSA-N -1 3 352.283 3.108 20 0 FGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C[C@@H]2CCC[C@H]2C)cc1OC ZINC000184671549 496488100 /nfs/dbraw/zinc/48/81/00/496488100.db2.gz QQPJKBJMQMHQNY-OLZOCXBDSA-N -1 3 354.472 3.222 20 0 FGADHM Cc1cccc(CS(=O)(=O)[N-][C@H](C)c2nc(Cc3ccccc3)no2)c1 ZINC000175706033 496508151 /nfs/dbraw/zinc/50/81/51/496508151.db2.gz PFHZGFAXTYGQCX-OAHLLOKOSA-N -1 3 371.462 3.149 20 0 FGADHM CN1C(=O)C[C@@H](C(=O)Nc2ccccc2[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000157613995 496515340 /nfs/dbraw/zinc/51/53/40/496515340.db2.gz RNDPIFDUDCETPH-PIGZYNQJSA-N -1 3 362.788 3.343 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)N1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000163682561 496545542 /nfs/dbraw/zinc/54/55/42/496545542.db2.gz AGYAFLNPWADDPT-KRWDZBQOSA-N -1 3 366.339 3.093 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)N1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000163715172 496550782 /nfs/dbraw/zinc/55/07/82/496550782.db2.gz UYLHTMZBMWGYQL-OAHLLOKOSA-N -1 3 358.369 3.307 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)[C@H]3SCCc4sccc43)[n-]c21 ZINC000157772441 496551048 /nfs/dbraw/zinc/55/10/48/496551048.db2.gz AVPXMIJVPONWKB-AWEZNQCLSA-N -1 3 373.459 3.380 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@H]3SCCc4sccc43)nc21 ZINC000157772441 496551055 /nfs/dbraw/zinc/55/10/55/496551055.db2.gz AVPXMIJVPONWKB-AWEZNQCLSA-N -1 3 373.459 3.380 20 0 FGADHM CSc1ccc(S(=O)(=O)[N-]c2ccc3n[nH]nc3c2)cc1Cl ZINC000184864310 496564262 /nfs/dbraw/zinc/56/42/62/496564262.db2.gz RJAFHYZPLGHNOK-UHFFFAOYSA-N -1 3 354.844 3.134 20 0 FGADHM CSc1ccc(S(=O)(=O)[N-]c2ccc3[nH]nnc3c2)cc1Cl ZINC000184864310 496564266 /nfs/dbraw/zinc/56/42/66/496564266.db2.gz RJAFHYZPLGHNOK-UHFFFAOYSA-N -1 3 354.844 3.134 20 0 FGADHM CCN1CCN(c2ccccc2NC(=O)Cc2ccc([O-])cc2Cl)CC1 ZINC000181833915 496564583 /nfs/dbraw/zinc/56/45/83/496564583.db2.gz PRQZBXOCWGOQRP-UHFFFAOYSA-N -1 3 373.884 3.369 20 0 FGADHM CN(Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[n-]1)C[C@H]1CCOC1 ZINC000178777264 496567500 /nfs/dbraw/zinc/56/75/00/496567500.db2.gz OQBOUCHFCKVUMG-GFCCVEGCSA-N -1 3 373.453 3.259 20 0 FGADHM O=C(Cc1ccccc1Cl)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000178777259 496567897 /nfs/dbraw/zinc/56/78/97/496567897.db2.gz XRHMSTCRWRWNGP-UHFFFAOYSA-N -1 3 372.852 3.465 20 0 FGADHM CC[C@@](C)([N-]S(=O)(=O)c1c(OC)cccc1OC)c1nc(C)cs1 ZINC000184922412 496586337 /nfs/dbraw/zinc/58/63/37/496586337.db2.gz XSYCKZISQIFERL-MRXNPFEDSA-N -1 3 370.496 3.072 20 0 FGADHM CC(C)n1cnc(S(=O)(=O)[N-]CCc2c[nH]c3ccc(Cl)cc23)c1 ZINC000153828807 496593712 /nfs/dbraw/zinc/59/37/12/496593712.db2.gz JRSCERHUKMKFMC-UHFFFAOYSA-N -1 3 366.874 3.120 20 0 FGADHM C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])c1cccc(F)c1F ZINC000153838360 496596978 /nfs/dbraw/zinc/59/69/78/496596978.db2.gz ZHZFYGDUHRKBIR-WBMJQRKESA-N -1 3 374.387 3.152 20 0 FGADHM O=S(=O)([N-]Cc1ccsc1)c1cc(F)ccc1Br ZINC000178868678 496600290 /nfs/dbraw/zinc/60/02/90/496600290.db2.gz YCHMHWVJNUHDPG-UHFFFAOYSA-N -1 3 350.234 3.128 20 0 FGADHM O=S(=O)([N-]C[C@@H](CCO)c1ccccc1)c1cccc(Cl)c1Cl ZINC000178881832 496603859 /nfs/dbraw/zinc/60/38/59/496603859.db2.gz KGCHULMMVWHKBX-CYBMUJFWSA-N -1 3 374.289 3.438 20 0 FGADHM O=C(N[C@@H]1CCC[C@H]1CCO)c1cc(OCc2ccccc2)ccc1[O-] ZINC000187893954 496610720 /nfs/dbraw/zinc/61/07/20/496610720.db2.gz APKVHPUMMCAFSK-QFBILLFUSA-N -1 3 355.434 3.252 20 0 FGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)[C@@H]1SCCc2sccc21 ZINC000173276907 496622925 /nfs/dbraw/zinc/62/29/25/496622925.db2.gz YZUJJMMUBDGUCA-CQSZACIVSA-N -1 3 368.505 3.089 20 0 FGADHM O=C(c1ccc2n[n-]nc2c1)N1CCCCC[C@H]1C[C@@H](O)c1ccco1 ZINC000178959185 496629698 /nfs/dbraw/zinc/62/96/98/496629698.db2.gz NBOUVEVMUQHVAN-WMLDXEAASA-N -1 3 354.410 3.059 20 0 FGADHM CC(C)n1[n-]cc/c1=N\C(=O)N(CCCO)[C@@H]1CCCc2ccccc21 ZINC000176006425 496640688 /nfs/dbraw/zinc/64/06/88/496640688.db2.gz CPVBDEKQDIBVKZ-QTTZHIOCSA-N -1 3 356.470 3.180 20 0 FGADHM Cc1cccc(Nc2ccccc2C(=O)N2CCc3nc[n-]c(=O)c3C2)c1C ZINC000179092445 496671596 /nfs/dbraw/zinc/67/15/96/496671596.db2.gz XIGWHWKHADASDM-UHFFFAOYSA-N -1 3 374.444 3.329 20 0 FGADHM C[C@H](NC(=O)c1ccc2c(c1[O-])CCCC2)c1ccc2c(c1)CC(=O)N2 ZINC000185181501 496694376 /nfs/dbraw/zinc/69/43/76/496694376.db2.gz VZJSWNUAURVOFV-LBPRGKRZSA-N -1 3 350.418 3.257 20 0 FGADHM O=C(Nc1cccc([O-])c1F)c1n[nH]c2ccc(Br)cc21 ZINC000179152064 496694789 /nfs/dbraw/zinc/69/47/89/496694789.db2.gz UTWVNETVGQSRNW-UHFFFAOYSA-N -1 3 350.147 3.422 20 0 FGADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCCCF)c2)cc1 ZINC000154151501 496696361 /nfs/dbraw/zinc/69/63/61/496696361.db2.gz GRPHEMDRDBFKGP-UHFFFAOYSA-N -1 3 364.442 3.194 20 0 FGADHM Cc1ccc(C[C@H](C)C(=O)Nc2cc(C)ccc2[N-]S(C)(=O)=O)cc1 ZINC000182180454 496700012 /nfs/dbraw/zinc/70/00/12/496700012.db2.gz APWSFAIRJYJRIW-HNNXBMFYSA-N -1 3 360.479 3.492 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)[C@H]3C[C@H]3c3ccc(F)cc3F)[n-]c21 ZINC000158442383 496702723 /nfs/dbraw/zinc/70/27/23/496702723.db2.gz CVDKACWLKRIVPC-STQMWFEESA-N -1 3 371.343 3.370 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@H]3C[C@H]3c3ccc(F)cc3F)nc21 ZINC000158442383 496702727 /nfs/dbraw/zinc/70/27/27/496702727.db2.gz CVDKACWLKRIVPC-STQMWFEESA-N -1 3 371.343 3.370 20 0 FGADHM COc1ccc2c(c1)CCC[C@@H]2CNC(=O)NCc1ccc([O-])c(F)c1 ZINC000167639563 496705110 /nfs/dbraw/zinc/70/51/10/496705110.db2.gz LNVUAKXDSRAMKK-OAHLLOKOSA-N -1 3 358.413 3.459 20 0 FGADHM O=C([C@H]1C[C@@H]1c1ccc(Cl)cc1Cl)N1CCc2c(=O)[n-]cnc2C1 ZINC000273185358 496733448 /nfs/dbraw/zinc/73/34/48/496733448.db2.gz FVBFRHLVOWBSKR-OLZOCXBDSA-N -1 3 364.232 3.177 20 0 FGADHM COc1cccc([C@H](CC(=O)[O-])NCc2cccc3[nH]ccc32)c1OC ZINC000277395340 496759004 /nfs/dbraw/zinc/75/90/04/496759004.db2.gz RPLYQSOZYPUDCM-KRWDZBQOSA-N -1 3 354.406 3.491 20 0 FGADHM CCc1cc(=O)[n-]c(CN[C@H](C)c2nc(-c3ccc(F)c(C)c3)no2)n1 ZINC000273353064 496782312 /nfs/dbraw/zinc/78/23/12/496782312.db2.gz YNIARNZKOGBASP-LLVKDONJSA-N -1 3 357.389 3.093 20 0 FGADHM CC1(C)[C@H]([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)[C@H]2CCO[C@H]21 ZINC000247128474 496788104 /nfs/dbraw/zinc/78/81/04/496788104.db2.gz WLHLWFPXONPASC-JHJVBQTASA-N -1 3 350.267 3.085 20 0 FGADHM CC1(C)[C@H]([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)[C@@H]2CCO[C@H]21 ZINC000247128486 496789214 /nfs/dbraw/zinc/78/92/14/496789214.db2.gz WLHLWFPXONPASC-YNEHKIRRSA-N -1 3 350.267 3.085 20 0 FGADHM CC(C)(C)[C@@H](CNCc1cn(-c2ccc(F)cc2Cl)nn1)CC(=O)[O-] ZINC000277491476 496791685 /nfs/dbraw/zinc/79/16/85/496791685.db2.gz XBXXCLJGEXTEFX-LLVKDONJSA-N -1 3 368.840 3.286 20 0 FGADHM O=S(=O)(Cc1n[n-]c(-c2cccs2)n1)Cc1cccc(Cl)c1 ZINC000195029759 496796223 /nfs/dbraw/zinc/79/62/23/496796223.db2.gz MUKYQERLIIPDPI-UHFFFAOYSA-N -1 3 353.856 3.302 20 0 FGADHM O=S(=O)(Cc1nnc(-c2cccs2)[n-]1)Cc1cccc(Cl)c1 ZINC000195029759 496796230 /nfs/dbraw/zinc/79/62/30/496796230.db2.gz MUKYQERLIIPDPI-UHFFFAOYSA-N -1 3 353.856 3.302 20 0 FGADHM O=S(=O)(Cc1nc(-c2cccs2)n[n-]1)Cc1cccc(Cl)c1 ZINC000195029759 496796232 /nfs/dbraw/zinc/79/62/32/496796232.db2.gz MUKYQERLIIPDPI-UHFFFAOYSA-N -1 3 353.856 3.302 20 0 FGADHM CC(C)c1nnc2n1CCN(Cc1cc([O-])ccc1Br)[C@@H]2C ZINC000188458391 496797373 /nfs/dbraw/zinc/79/73/73/496797373.db2.gz KMPLJSFKMAPCJK-LLVKDONJSA-N -1 3 365.275 3.446 20 0 FGADHM CCCS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2F)cc1 ZINC000580913855 505866698 /nfs/dbraw/zinc/86/66/98/505866698.db2.gz MDMYEJNTVCEEGT-UHFFFAOYSA-N -1 3 371.455 3.119 20 0 FGADHM Cn1ccnc1-c1cc(NC(=O)c2c[nH]nc2-c2ccc(Cl)s2)n[n-]1 ZINC000188468918 496800188 /nfs/dbraw/zinc/80/01/88/496800188.db2.gz KHGFIFJSUOSSSB-UHFFFAOYSA-N -1 3 373.829 3.168 20 0 FGADHM CC[C@@H](NC(=O)CS(=O)(=O)c1cccc([O-])c1)c1ccc(Cl)cc1 ZINC000195059230 496808408 /nfs/dbraw/zinc/80/84/08/496808408.db2.gz QXSHTWBCQWXQCK-MRXNPFEDSA-N -1 3 367.854 3.087 20 0 FGADHM CCc1cc(=O)[n-]c(SCc2nc3ccc(Br)cc3[nH]2)n1 ZINC000195077300 496815567 /nfs/dbraw/zinc/81/55/67/496815567.db2.gz QAXFVIWTUISJGK-UHFFFAOYSA-N -1 3 365.256 3.263 20 0 FGADHM O=C(NCc1csc(-c2ccco2)n1)c1c[n-]nc1-c1ccccn1 ZINC000580923351 505869151 /nfs/dbraw/zinc/86/91/51/505869151.db2.gz IHNADJFJPOJDRP-UHFFFAOYSA-N -1 3 351.391 3.118 20 0 FGADHM Cc1ccc(C(=O)N2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)c([O-])c1C ZINC000264259910 496855062 /nfs/dbraw/zinc/85/50/62/496855062.db2.gz SVWMGKFYVVOGCJ-HNNXBMFYSA-N -1 3 362.470 3.338 20 0 FGADHM CC(C)c1c(C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)cnn1-c1ccccc1 ZINC000580926964 505870043 /nfs/dbraw/zinc/87/00/43/505870043.db2.gz NKLYVACXLRXQIZ-KRWDZBQOSA-N -1 3 365.437 3.245 20 0 FGADHM CC(C)c1ccc(NC(=O)c2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)cc1 ZINC000269071015 496863950 /nfs/dbraw/zinc/86/39/50/496863950.db2.gz FSMGIHHLVFWQNA-HXUWFJFHSA-N -1 3 351.406 3.117 20 0 FGADHM O=C(N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)c1cccc2nn[n-]c21 ZINC000188696528 496879947 /nfs/dbraw/zinc/87/99/47/496879947.db2.gz ANRKBWIHBGYXQP-HOCLYGCPSA-N -1 3 360.776 3.010 20 0 FGADHM O=C(N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)c1cccc2[n-]nnc21 ZINC000188696528 496879953 /nfs/dbraw/zinc/87/99/53/496879953.db2.gz ANRKBWIHBGYXQP-HOCLYGCPSA-N -1 3 360.776 3.010 20 0 FGADHM O=C(N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)c1cccc2n[n-]nc21 ZINC000188696528 496879959 /nfs/dbraw/zinc/87/99/59/496879959.db2.gz ANRKBWIHBGYXQP-HOCLYGCPSA-N -1 3 360.776 3.010 20 0 FGADHM O=C(Nc1ccc(NC[C@H]2CCCO2)c(F)c1)c1cc(F)cc2[n-]nnc21 ZINC000277777999 496883396 /nfs/dbraw/zinc/88/33/96/496883396.db2.gz UCEXFRGZGQRSAL-GFCCVEGCSA-N -1 3 373.363 3.079 20 0 FGADHM O=C(Nc1ccc(NC[C@H]2CCCO2)c(F)c1)c1cc(F)cc2nn[n-]c21 ZINC000277777999 496883402 /nfs/dbraw/zinc/88/34/02/496883402.db2.gz UCEXFRGZGQRSAL-GFCCVEGCSA-N -1 3 373.363 3.079 20 0 FGADHM O=C(Nc1ccc(NC[C@H]2CCCO2)c(F)c1)c1cc(F)cc2n[n-]nc21 ZINC000277777999 496883405 /nfs/dbraw/zinc/88/34/05/496883405.db2.gz UCEXFRGZGQRSAL-GFCCVEGCSA-N -1 3 373.363 3.079 20 0 FGADHM Cc1[nH]nc(-c2nc(Cc3nc(=O)c4c(C5CC5)csc4[n-]3)no2)c1C ZINC000273742140 496892003 /nfs/dbraw/zinc/89/20/03/496892003.db2.gz MCVCLUNJOPWHIU-UHFFFAOYSA-N -1 3 368.422 3.255 20 0 FGADHM CCN(C[C@@H]1CCCO1)C(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000188737938 496893354 /nfs/dbraw/zinc/89/33/54/496893354.db2.gz GSXODQSRRYASMP-IBGZPJMESA-N -1 3 353.418 3.264 20 0 FGADHM COc1cc(C(=O)[N-]c2cc(Cl)ccc2OC[C@H]2CCOC2)on1 ZINC000188786032 496909462 /nfs/dbraw/zinc/90/94/62/496909462.db2.gz YQNMIZSPRLHFEN-JTQLQIEISA-N -1 3 352.774 3.004 20 0 FGADHM C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000264528597 496921242 /nfs/dbraw/zinc/92/12/42/496921242.db2.gz CHYQYJNGQLAOPB-ZDUSSCGKSA-N -1 3 371.437 3.022 20 0 FGADHM CC(C)COC(=O)Nc1cccc(-n2c([O-])c(CC(F)(F)F)[nH]c2=O)c1 ZINC000277927502 496939465 /nfs/dbraw/zinc/93/94/65/496939465.db2.gz BLZXQLFLFTUSMX-GFCCVEGCSA-N -1 3 373.331 3.268 20 0 FGADHM CCCCc1nc(C(=O)OCC)c(NC(=O)C2C[C@H](C)O[C@@H](C)C2)[n-]1 ZINC000191964993 496946087 /nfs/dbraw/zinc/94/60/87/496946087.db2.gz HMLFXXJZLHOPGU-RYUDHWBXSA-N -1 3 351.447 3.071 20 0 FGADHM CCCCc1nc(NC(=O)C2C[C@H](C)O[C@@H](C)C2)c(C(=O)OCC)[n-]1 ZINC000191964993 496946092 /nfs/dbraw/zinc/94/60/92/496946092.db2.gz HMLFXXJZLHOPGU-RYUDHWBXSA-N -1 3 351.447 3.071 20 0 FGADHM CCCCc1nc(C(=O)OCC)c(NC(=O)c2cc(OC)cs2)[n-]1 ZINC000191965194 496946165 /nfs/dbraw/zinc/94/61/65/496946165.db2.gz BNZSHEVZYVLFJI-UHFFFAOYSA-N -1 3 351.428 3.251 20 0 FGADHM CCCCc1nc(NC(=O)c2cc(OC)cs2)c(C(=O)OCC)[n-]1 ZINC000191965194 496946171 /nfs/dbraw/zinc/94/61/71/496946171.db2.gz BNZSHEVZYVLFJI-UHFFFAOYSA-N -1 3 351.428 3.251 20 0 FGADHM CCCCc1nc(C(=O)OCC)c(NC(=O)[C@H]2CCO[C@@H](CC)C2)[n-]1 ZINC000191963732 496946911 /nfs/dbraw/zinc/94/69/11/496946911.db2.gz LQTZLWQCUIJTRQ-STQMWFEESA-N -1 3 351.447 3.073 20 0 FGADHM CCCCc1nc(NC(=O)[C@H]2CCO[C@@H](CC)C2)c(C(=O)OCC)[n-]1 ZINC000191963732 496946913 /nfs/dbraw/zinc/94/69/13/496946913.db2.gz LQTZLWQCUIJTRQ-STQMWFEESA-N -1 3 351.447 3.073 20 0 FGADHM CC[C@H](C)C(=O)N1CCC[C@@H](c2nc(-c3ccc([O-])c(OC)c3)no2)C1 ZINC000264629474 496948461 /nfs/dbraw/zinc/94/84/61/496948461.db2.gz SMRFJYBUOHJFOX-GXTWGEPZSA-N -1 3 359.426 3.203 20 0 FGADHM CCN(C)C(=O)CSCc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000273911443 496954902 /nfs/dbraw/zinc/95/49/02/496954902.db2.gz HEDGXUIRGVBXCA-UHFFFAOYSA-N -1 3 363.464 3.368 20 0 FGADHM Cc1cc(C(=O)N[C@H]2CCCN([C@H](C)c3ccccc3F)C2=O)ccc1[O-] ZINC000578163064 505876437 /nfs/dbraw/zinc/87/64/37/505876437.db2.gz LGFZPKBWKRRQAG-KDOFPFPSSA-N -1 3 370.424 3.322 20 0 FGADHM Cc1cc(C(=O)N[C@@H]2CCCN([C@@H](C)c3ccccc3F)C2=O)ccc1[O-] ZINC000578163063 505876632 /nfs/dbraw/zinc/87/66/32/505876632.db2.gz LGFZPKBWKRRQAG-KBXCAEBGSA-N -1 3 370.424 3.322 20 0 FGADHM CC(C)(C)[C@H](CCO)NC(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000188997026 496972398 /nfs/dbraw/zinc/97/23/98/496972398.db2.gz PCNVGCKRQGTEGQ-SFHVURJKSA-N -1 3 355.434 3.150 20 0 FGADHM O=C1[N-][C@H](Cc2cc(Cl)cc(Cl)c2)C(=O)N1OCCC(F)(F)F ZINC000278047140 496984738 /nfs/dbraw/zinc/98/47/38/496984738.db2.gz XWOQUCUFSZHTKL-SNVBAGLBSA-N -1 3 371.142 3.340 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)[C@H](c1ccccc1)N(C)C ZINC000189036591 496987420 /nfs/dbraw/zinc/98/74/20/496987420.db2.gz MKEMLNWMNZAWHI-PIGZYNQJSA-N -1 3 372.412 3.074 20 0 FGADHM O=C(NCC[C@@H]1CCCCO1)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000189047262 496991130 /nfs/dbraw/zinc/99/11/30/496991130.db2.gz CVRHNWBOBWLKEC-IBGZPJMESA-N -1 3 353.418 3.312 20 0 FGADHM COc1ccc(N[C@@H](C)C(=O)[N-]c2cc(C)no2)cc1Br ZINC000264860593 496999023 /nfs/dbraw/zinc/99/90/23/496999023.db2.gz OLQHBSYKGTWZSX-VIFPVBQESA-N -1 3 354.204 3.193 20 0 FGADHM Cc1ccc([C@H](O)C[N-]S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)o1 ZINC000269837241 497010968 /nfs/dbraw/zinc/01/09/68/497010968.db2.gz YDUPRKSRTDMWJE-CYBMUJFWSA-N -1 3 364.250 3.048 20 0 FGADHM CCOc1cc(-c2noc(CCCNC(=O)c3ccccc3)n2)ccc1[O-] ZINC000278123251 497012520 /nfs/dbraw/zinc/01/25/20/497012520.db2.gz REAPATNJPUZURK-UHFFFAOYSA-N -1 3 367.405 3.204 20 0 FGADHM O=C(Nc1ccc(OCC(F)(F)F)nc1)c1n[n-]nc1-c1ccccc1 ZINC000189115499 497013062 /nfs/dbraw/zinc/01/30/62/497013062.db2.gz HPKAQAYNNSIGQZ-UHFFFAOYSA-N -1 3 363.299 3.060 20 0 FGADHM COc1cc(-c2noc(CC[C@H](C)NC(=O)OC(C)(C)C)n2)ccc1[O-] ZINC000278154354 497021426 /nfs/dbraw/zinc/02/14/26/497021426.db2.gz CHRNTGVYXOGSNR-NSHDSACASA-N -1 3 363.414 3.297 20 0 FGADHM Cc1cc(NC([O-])=NO[C@H]2CCCCO2)ccc1OC1CCOCC1 ZINC000274129347 497022720 /nfs/dbraw/zinc/02/27/20/497022720.db2.gz BLCUPWFTEXQGQC-KRWDZBQOSA-N -1 3 350.415 3.133 20 0 FGADHM Cc1cc(NC(=O)[N-]O[C@H]2CCCCO2)ccc1OC1CCOCC1 ZINC000274129347 497022725 /nfs/dbraw/zinc/02/27/25/497022725.db2.gz BLCUPWFTEXQGQC-KRWDZBQOSA-N -1 3 350.415 3.133 20 0 FGADHM C[C@H]1CCCCN1C(=O)c1ccc(NC([O-])=NO[C@@H]2CCCCO2)cc1 ZINC000274138519 497024892 /nfs/dbraw/zinc/02/48/92/497024892.db2.gz DAAIAWHBFVLJQW-WMLDXEAASA-N -1 3 361.442 3.281 20 0 FGADHM C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)[N-]O[C@@H]2CCCCO2)cc1 ZINC000274138519 497024899 /nfs/dbraw/zinc/02/48/99/497024899.db2.gz DAAIAWHBFVLJQW-WMLDXEAASA-N -1 3 361.442 3.281 20 0 FGADHM CCOc1ccc(OCC)c(NC(=O)c2cc(OC)c([O-])c(OC)c2)c1 ZINC000269966328 497033721 /nfs/dbraw/zinc/03/37/21/497033721.db2.gz UNMYLRUGDQWLNP-UHFFFAOYSA-N -1 3 361.394 3.459 20 0 FGADHM CCC(C)(C)C[N-]S(=O)(=O)c1ccc(CCNC(=O)CC(C)C)s1 ZINC000192233085 497042229 /nfs/dbraw/zinc/04/22/29/497042229.db2.gz MUBHZJGOIDVJHD-UHFFFAOYSA-N -1 3 374.572 3.167 20 0 FGADHM 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/nfs/dbraw/zinc/70/36/43/497703643.db2.gz NHESQBGCILEFMC-CYBMUJFWSA-N -1 3 351.447 3.453 20 0 FGADHM CCCCc1nc(-c2ccc(OCC(=O)[N-]c3cc(C)no3)cc2)no1 ZINC000194603034 497716659 /nfs/dbraw/zinc/71/66/59/497716659.db2.gz FDGIMSUXNKSLKA-UHFFFAOYSA-N -1 3 356.382 3.393 20 0 FGADHM CSCC[C@@H](NCc1cc(Cl)ccc1Br)C(=O)[O-] ZINC000277035644 497722761 /nfs/dbraw/zinc/72/27/61/497722761.db2.gz QGGURISUBJUOKO-LLVKDONJSA-N -1 3 352.681 3.398 20 0 FGADHM Cc1cc(C(=O)[O-])cc(C(=O)NCC(C)(C)N2CCc3ccccc3C2)c1 ZINC000263180354 497725694 /nfs/dbraw/zinc/72/56/94/497725694.db2.gz HEKCCPKDGNOFIE-UHFFFAOYSA-N -1 3 366.461 3.260 20 0 FGADHM C[C@@H](Cc1cccc(Br)c1)NC(=O)c1ccc2n[n-]nc2c1 ZINC000194684518 497738645 /nfs/dbraw/zinc/73/86/45/497738645.db2.gz QKSFJYFGUVCYTN-JTQLQIEISA-N -1 3 359.227 3.081 20 0 FGADHM Cc1nc(CCNCc2cc(Br)ccc2F)sc1C(=O)[O-] ZINC000277104921 497743458 /nfs/dbraw/zinc/74/34/58/497743458.db2.gz ZMPNCBAVSLQMIY-UHFFFAOYSA-N -1 3 373.247 3.384 20 0 FGADHM CC(C)(C)c1ccc(CN[C@H](Cn2ccc(C(F)(F)F)n2)C(=O)[O-])cc1 ZINC000277111711 497745694 /nfs/dbraw/zinc/74/56/94/497745694.db2.gz ALKLCSBMTVHHBS-CQSZACIVSA-N -1 3 369.387 3.442 20 0 FGADHM CCC[C@H](C)S(=O)(=O)[N-][C@@H](c1noc(C)n1)c1ccc(Cl)cc1 ZINC000575129555 505926691 /nfs/dbraw/zinc/92/66/91/505926691.db2.gz UDQWJRUMBWGFSM-IINYFYTJSA-N -1 3 357.863 3.229 20 0 FGADHM CC(C)(C)c1cc(NC[C@H](c2cccs2)N2CCCC2)nc(C(=O)[O-])n1 ZINC000575127987 505926755 /nfs/dbraw/zinc/92/67/55/505926755.db2.gz WWQWXWVOVNSGPJ-CYBMUJFWSA-N -1 3 374.510 3.205 20 0 FGADHM Cc1ccccc1C[C@H](CNCc1cccc2c1OCCCO2)C(=O)[O-] ZINC000277148775 497755934 /nfs/dbraw/zinc/75/59/34/497755934.db2.gz COVUYZBSSQQNKM-GOSISDBHSA-N -1 3 355.434 3.189 20 0 FGADHM C[C@H](CN(C)[C@@H](C)C(=O)Nc1ccc(OCc2ccccc2)cc1)C(=O)[O-] ZINC000263314402 497756051 /nfs/dbraw/zinc/75/60/51/497756051.db2.gz IMOAGADMBUDOGG-CVEARBPZSA-N -1 3 370.449 3.245 20 0 FGADHM COc1cc(CN2C[C@H](C(=O)[O-])CC[C@H]2C)ccc1OCc1ccncc1 ZINC000263319033 497756816 /nfs/dbraw/zinc/75/68/16/497756816.db2.gz JFUFDUMJMBRXGQ-CRAIPNDOSA-N -1 3 370.449 3.354 20 0 FGADHM C[C@@H]1C[C@@H](C(=O)[O-])CN([C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000263318163 497756872 /nfs/dbraw/zinc/75/68/72/497756872.db2.gz JAPYICZQYADYAC-HFAKWTLXSA-N -1 3 371.264 3.141 20 0 FGADHM C[C@H](CN(C)[C@@H](C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)[O-] ZINC000263341024 497761802 /nfs/dbraw/zinc/76/18/02/497761802.db2.gz NMFZIRFJCCJVPW-BDAKNGLRSA-N -1 3 366.767 3.338 20 0 FGADHM C[C@@H](CN(C)CC(=O)N1CCC[C@@H]1c1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC000263355581 497766283 /nfs/dbraw/zinc/76/62/83/497766283.db2.gz QSTYQZMTEAIWLH-MAUKXSAKSA-N -1 3 360.498 3.300 20 0 FGADHM COc1cc(OC)c(OC)cc1CN[C@H](Cc1cc(C)cc(C)c1)C(=O)[O-] ZINC000277189867 497770293 /nfs/dbraw/zinc/77/02/93/497770293.db2.gz FUIUEJHCVLPFLQ-QGZVFWFLSA-N -1 3 373.449 3.115 20 0 FGADHM CCn1cc(C(=O)[N-]c2nnc(C(F)(F)F)s2)c(C(F)(F)F)n1 ZINC000280502867 497774601 /nfs/dbraw/zinc/77/46/01/497774601.db2.gz CHQNTEIZFIDZTK-UHFFFAOYSA-N -1 3 359.255 3.044 20 0 FGADHM CC(C)C[C@@H](CNCc1nc2cc(C(F)(F)F)ccc2n1C)C(=O)[O-] ZINC000263472456 497787289 /nfs/dbraw/zinc/78/72/89/497787289.db2.gz IFBDGBLDYDHKKO-NSHDSACASA-N -1 3 357.376 3.429 20 0 FGADHM Cc1cc(Cl)ccc1CN[C@H](Cn1ccc(C(F)(F)F)n1)C(=O)[O-] ZINC000277278336 497793827 /nfs/dbraw/zinc/79/38/27/497793827.db2.gz LUWKOCHZLSZDDS-GFCCVEGCSA-N -1 3 361.751 3.107 20 0 FGADHM C[C@H](NC(=O)c1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1)[C@@H](C)C1CCCCC1 ZINC000246675132 497797960 /nfs/dbraw/zinc/79/79/60/497797960.db2.gz CWZVURBOPQFKAL-YPENRWOSSA-N -1 3 371.481 3.076 20 0 FGADHM O=C([O-])c1ccc(CN2CCC(n3cc(Br)cn3)CC2)cc1 ZINC000263561495 497799803 /nfs/dbraw/zinc/79/98/03/497799803.db2.gz CDDMUBMDVYNZPC-UHFFFAOYSA-N -1 3 364.243 3.181 20 0 FGADHM CC(C)N(CC(=O)[O-])Cc1cc(Br)ccc1OC(F)F ZINC000263570475 497801219 /nfs/dbraw/zinc/80/12/19/497801219.db2.gz IGRCXWZHBWRAFX-UHFFFAOYSA-N -1 3 352.175 3.346 20 0 FGADHM O=C([O-])c1ccc(CN2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)cc1 ZINC000263575496 497802047 /nfs/dbraw/zinc/80/20/47/497802047.db2.gz PDCCGEPRKMGTOF-CQSZACIVSA-N -1 3 353.344 3.437 20 0 FGADHM CCCC(=O)NC[C@H]1CCCN(C(=O)c2c[n-]c3ccc(C)cc3c2=O)C1 ZINC000273162825 497805542 /nfs/dbraw/zinc/80/55/42/497805542.db2.gz CMRSIQHCENYLKF-OAHLLOKOSA-N -1 3 369.465 3.017 20 0 FGADHM C[C@@H](CC(=O)Nc1cccc([C@]2(C)NC(=O)[N-]C2=O)c1)c1ccccc1F ZINC000263783612 497815531 /nfs/dbraw/zinc/81/55/31/497815531.db2.gz OWBFDLMYANJXLI-YUNKPMOVSA-N -1 3 369.396 3.013 20 0 FGADHM CC1(C)[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)[C@@H]2CCO[C@H]21 ZINC000246865999 497817588 /nfs/dbraw/zinc/81/75/88/497817588.db2.gz KUHQREVSTSPNKT-ZWKOPEQDSA-N -1 3 350.267 3.085 20 0 FGADHM C[C@H]([N-]C(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(F)(F)F ZINC000288542394 497825151 /nfs/dbraw/zinc/82/51/51/497825151.db2.gz YFBMKHORWYTNOM-YFKPBYRVSA-N -1 3 362.657 3.364 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3nnn(C(C)C)c3C)c2)n1 ZINC000291982690 497825457 /nfs/dbraw/zinc/82/54/57/497825457.db2.gz JVUOSSCJLDLVJZ-UHFFFAOYSA-N -1 3 366.425 3.145 20 0 FGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)NC[C@@H]1CCC[C@@H](C)C1 ZINC000299547910 497843658 /nfs/dbraw/zinc/84/36/58/497843658.db2.gz VNHWCHQFLONVAO-GDBMZVCRSA-N -1 3 368.481 3.428 20 0 FGADHM O=C(N[C@H]1CC[C@@H](c2cccc(F)c2)C1)c1c[n-]c2ccncc2c1=O ZINC000578420997 505935551 /nfs/dbraw/zinc/93/55/51/505935551.db2.gz ZHUMOBZQRJQUTH-HIFRSBDPSA-N -1 3 351.381 3.128 20 0 FGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)NCC1CCCCC1 ZINC000299562246 497849543 /nfs/dbraw/zinc/84/95/43/497849543.db2.gz YIJUMYQVRFONMK-UHFFFAOYSA-N -1 3 354.454 3.182 20 0 FGADHM COc1cc(OC)cc([C@H]2CCN(CCOc3ccccc3C(=O)[O-])C2)c1 ZINC000364245260 497859171 /nfs/dbraw/zinc/85/91/71/497859171.db2.gz NKDHXURJAAHJIT-HNNXBMFYSA-N -1 3 371.433 3.270 20 0 FGADHM CO[C@H](CS(=O)(=O)[N-]c1ccc(C(F)(F)F)nc1)c1ccccc1 ZINC000295943283 497863081 /nfs/dbraw/zinc/86/30/81/497863081.db2.gz LEFUCUFINVIUMK-CYBMUJFWSA-N -1 3 360.357 3.230 20 0 FGADHM O=S(=O)([N-]Cc1ccc2ncccc2c1)c1cccnc1C(F)(F)F ZINC000575187391 505939071 /nfs/dbraw/zinc/93/90/71/505939071.db2.gz LLNXPTSBNGZRKK-UHFFFAOYSA-N -1 3 367.352 3.127 20 0 FGADHM COC(=O)c1cc(C)c(C)c(S(=O)(=O)[N-]c2c(C)ccnc2Cl)c1 ZINC000295986955 497880131 /nfs/dbraw/zinc/88/01/31/497880131.db2.gz OSOPSZOBSYOEML-UHFFFAOYSA-N -1 3 368.842 3.248 20 0 FGADHM Cc1nc(C2([N-]S(=O)(=O)CC34CCC(CC3)C4)CCCCCC2)no1 ZINC000329734427 497883665 /nfs/dbraw/zinc/88/36/65/497883665.db2.gz KIANBSOAOQNPHM-UHFFFAOYSA-N -1 3 367.515 3.427 20 0 FGADHM CSCCON=C([O-])Nc1ccnn1Cc1ccc(Cl)c(F)c1 ZINC000280770310 497891455 /nfs/dbraw/zinc/89/14/55/497891455.db2.gz HEAULMVZBOQKET-UHFFFAOYSA-N -1 3 358.826 3.140 20 0 FGADHM CSCCO[N-]C(=O)Nc1ccnn1Cc1ccc(Cl)c(F)c1 ZINC000280770310 497891462 /nfs/dbraw/zinc/89/14/62/497891462.db2.gz HEAULMVZBOQKET-UHFFFAOYSA-N -1 3 358.826 3.140 20 0 FGADHM COC(=O)CCCO[N-]C(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000288911698 497940583 /nfs/dbraw/zinc/94/05/83/497940583.db2.gz VRPPZIHDTDHQLC-UHFFFAOYSA-N -1 3 367.402 3.040 20 0 FGADHM CC1CCC(OCc2nc(-c3ccc([N-]S(C)(=O)=O)cc3)no2)CC1 ZINC000288921727 497944043 /nfs/dbraw/zinc/94/40/43/497944043.db2.gz HRMLJDYIPCELMQ-UHFFFAOYSA-N -1 3 365.455 3.203 20 0 FGADHM O=S(=O)([N-][C@@H]1CCO[C@@H](c2cccnc2)C1)c1cc(F)ccc1Cl ZINC000296231932 497964556 /nfs/dbraw/zinc/96/45/56/497964556.db2.gz WPIQXUWQMXLIQI-UKRRQHHQSA-N -1 3 370.833 3.073 20 0 FGADHM CSCCON=C([O-])Nc1cnn(-c2ccccc2)c1C(F)(F)F ZINC000280979829 497973139 /nfs/dbraw/zinc/97/31/39/497973139.db2.gz JQALLGNSJSFNPE-UHFFFAOYSA-N -1 3 360.361 3.307 20 0 FGADHM CSCCO[N-]C(=O)Nc1cnn(-c2ccccc2)c1C(F)(F)F ZINC000280979829 497973147 /nfs/dbraw/zinc/97/31/47/497973147.db2.gz JQALLGNSJSFNPE-UHFFFAOYSA-N -1 3 360.361 3.307 20 0 FGADHM Cc1nc(-c2ccc(N3C(=O)[C@H](c4ccccc4)N(C)C3=O)cc2)cc(=O)[n-]1 ZINC000349276175 497973599 /nfs/dbraw/zinc/97/35/99/497973599.db2.gz KQOKUWQKJPUSMS-IBGZPJMESA-N -1 3 374.400 3.297 20 0 FGADHM Cc1nc(-c2ccc(NCc3ccc(-n4ccnc4)nc3)nc2)[n-]c(=O)c1C ZINC000301180337 497987122 /nfs/dbraw/zinc/98/71/22/497987122.db2.gz OOGLTOGZRCLGNP-UHFFFAOYSA-N -1 3 373.420 3.054 20 0 FGADHM CCN(CC)c1nc2sc(C(=O)[N-]c3ccnnc3OC)cc2s1 ZINC000289071941 498003933 /nfs/dbraw/zinc/00/39/33/498003933.db2.gz ZQFJUBLAXZCIIT-UHFFFAOYSA-N -1 3 363.468 3.255 20 0 FGADHM CC(C)(CO)ON=C([O-])Nc1ncc(Cc2ccccc2Cl)s1 ZINC000296356571 498010040 /nfs/dbraw/zinc/01/00/40/498010040.db2.gz OGJMPLGUQIWQNV-UHFFFAOYSA-N -1 3 355.847 3.211 20 0 FGADHM CC(C)(CO)O[N-]C(=O)Nc1ncc(Cc2ccccc2Cl)s1 ZINC000296356571 498010044 /nfs/dbraw/zinc/01/00/44/498010044.db2.gz OGJMPLGUQIWQNV-UHFFFAOYSA-N -1 3 355.847 3.211 20 0 FGADHM Cc1cc(CS(=O)(=O)[N-]CC2(c3cccs3)CCCCC2)on1 ZINC000330112939 498025992 /nfs/dbraw/zinc/02/59/92/498025992.db2.gz CLBKLIJYZOKZHG-UHFFFAOYSA-N -1 3 354.497 3.366 20 0 FGADHM C[C@@H]1COCC[C@@H]1c1nc(Cc2nc(=O)c3c(C4CC4)csc3[n-]2)no1 ZINC000349977198 498028148 /nfs/dbraw/zinc/02/81/48/498028148.db2.gz SCKQPVIEGBHMRH-KOLCDFICSA-N -1 3 372.450 3.388 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H](C)C(=O)N3CCCC[C@H]3C)nc2)n1 ZINC000301272304 498032162 /nfs/dbraw/zinc/03/21/62/498032162.db2.gz JZNNQLSURRUJAD-KGLIPLIRSA-N -1 3 369.469 3.008 20 0 FGADHM Cc1csc(Sc2ccc(NC([O-])=NOC(C)(C)CO)cc2)n1 ZINC000296439685 498044054 /nfs/dbraw/zinc/04/40/54/498044054.db2.gz LAOSFVSJHPSZIM-UHFFFAOYSA-N -1 3 353.469 3.427 20 0 FGADHM Cc1csc(Sc2ccc(NC(=O)[N-]OC(C)(C)CO)cc2)n1 ZINC000296439685 498044058 /nfs/dbraw/zinc/04/40/58/498044058.db2.gz LAOSFVSJHPSZIM-UHFFFAOYSA-N -1 3 353.469 3.427 20 0 FGADHM CC(=O)N1CCCCC[C@H]1C1CCN([C@@H](C)c2nc(C)cc(=O)[n-]2)CC1 ZINC000364610416 498048168 /nfs/dbraw/zinc/04/81/68/498048168.db2.gz JOKDKLQJKNNPJH-YJBOKZPZSA-N -1 3 360.502 3.055 20 0 FGADHM CSCCON=C([O-])Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000281231816 498066610 /nfs/dbraw/zinc/06/66/10/498066610.db2.gz CXLBOHOAECHZME-UHFFFAOYSA-N -1 3 360.361 3.307 20 0 FGADHM CSCCO[N-]C(=O)Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000281231816 498066618 /nfs/dbraw/zinc/06/66/18/498066618.db2.gz CXLBOHOAECHZME-UHFFFAOYSA-N -1 3 360.361 3.307 20 0 FGADHM O=C(c1ccc(C(=O)N2CCCO[C@H]3CCC[C@H]32)cc1)c1cccc([O-])c1 ZINC000364652365 498069015 /nfs/dbraw/zinc/06/90/15/498069015.db2.gz HCMAOFCTYPLGPJ-UXHICEINSA-N -1 3 365.429 3.407 20 0 FGADHM O=C([O-])c1coc(N2CCN(Cc3ccccc3)C3(CCCCC3)C2)n1 ZINC000581372459 505974007 /nfs/dbraw/zinc/97/40/07/505974007.db2.gz IRVWMUDTRZUIFY-UHFFFAOYSA-N -1 3 355.438 3.398 20 0 FGADHM CCO[C@H]1C[C@](NC(=O)c2cc([O-])c3ccccc3c2)(C(=O)OC)C1(C)C ZINC000281328978 498107073 /nfs/dbraw/zinc/10/70/73/498107073.db2.gz VYJZAHKYILOXGT-UWJYYQICSA-N -1 3 371.433 3.022 20 0 FGADHM CCC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C[C@H](C)c2nccs2)c1 ZINC000281342718 498112915 /nfs/dbraw/zinc/11/29/15/498112915.db2.gz BQYVAVWDNNSMDH-JTQLQIEISA-N -1 3 372.899 3.471 20 0 FGADHM CC1(C)Cc2ccc(-c3nc([C@@H]4CN5CCC[C@@]5(C)CO4)no3)c([O-])c2O1 ZINC000350609210 498124881 /nfs/dbraw/zinc/12/48/81/498124881.db2.gz NMFAUGVDLKVHHJ-XOBRGWDASA-N -1 3 371.437 3.082 20 0 FGADHM CCOc1nc2cc(C(=O)N[C@H]3CCO[C@@H](c4ccncc4)C3)ccc2[n-]1 ZINC000575632815 505985861 /nfs/dbraw/zinc/98/58/61/505985861.db2.gz WBFXAUSLUKLGFB-MAUKXSAKSA-N -1 3 366.421 3.007 20 0 FGADHM CCOc1nc2ccc(C(=O)N[C@H]3CCO[C@@H](c4ccncc4)C3)cc2[n-]1 ZINC000575632815 505985865 /nfs/dbraw/zinc/98/58/65/505985865.db2.gz WBFXAUSLUKLGFB-MAUKXSAKSA-N -1 3 366.421 3.007 20 0 FGADHM CCOC(=O)C1CCC([N-]S(=O)(=O)c2cc(C)c(Cl)s2)CC1 ZINC000330609496 498158414 /nfs/dbraw/zinc/15/84/14/498158414.db2.gz NWKJCTAOOCSPHC-UHFFFAOYSA-N -1 3 365.904 3.110 20 0 FGADHM CC(C)[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)CCO1 ZINC000330620784 498162145 /nfs/dbraw/zinc/16/21/45/498162145.db2.gz ANQRQLLWTDCNQP-IINYFYTJSA-N -1 3 352.283 3.475 20 0 FGADHM C[C@H](c1cccc(Cl)c1)S(=O)(=O)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000569688753 505994203 /nfs/dbraw/zinc/99/42/03/505994203.db2.gz NBFGIBCEUHUMCY-SNVBAGLBSA-N -1 3 352.843 3.389 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCO[C@H](c4ccccc4)C3)nc2)n1 ZINC000364889756 498193567 /nfs/dbraw/zinc/19/35/67/498193567.db2.gz YXXIARAPZCRAMF-SFHVURJKSA-N -1 3 362.433 3.385 20 0 FGADHM COc1ccc(CN2C[C@H](C)OC3(CCC3)C2)c(Br)c1[O-] ZINC000569694648 505995200 /nfs/dbraw/zinc/99/52/00/505995200.db2.gz KWJAGQDXOYPABX-NSHDSACASA-N -1 3 356.260 3.307 20 0 FGADHM O=C(N[C@H]1CC[C@@H](c2cccc(Cl)c2)C1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000581472950 505996359 /nfs/dbraw/zinc/99/63/59/505996359.db2.gz MOXKTTCROJRJQD-DOMZBBRYSA-N -1 3 368.820 3.290 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-][C@@H](C2CCCC2)C(F)(F)F)cc1C(N)=O ZINC000330857299 498206997 /nfs/dbraw/zinc/20/69/97/498206997.db2.gz UIYCNAGNXXEBOC-ZDUSSCGKSA-N -1 3 364.389 3.278 20 0 FGADHM Cc1ccc([O-])c(C(=O)N2CCCC[C@H]2c2nnc([C@H]3CCCO3)o2)c1 ZINC000289596794 498210655 /nfs/dbraw/zinc/21/06/55/498210655.db2.gz GZQVSMKBSIDDCP-GOEBONIOSA-N -1 3 357.410 3.303 20 0 FGADHM O=C(Nc1nnc(-c2ccco2)[n-]1)[C@@H]1CCn2c(cnc2-c2ccccc2)C1 ZINC000364926312 498211974 /nfs/dbraw/zinc/21/19/74/498211974.db2.gz ZIZLBSJEAIZWOT-CQSZACIVSA-N -1 3 374.404 3.129 20 0 FGADHM O=C(Nc1nc(-c2ccco2)n[n-]1)[C@@H]1CCn2c(cnc2-c2ccccc2)C1 ZINC000364926312 498211978 /nfs/dbraw/zinc/21/19/78/498211978.db2.gz ZIZLBSJEAIZWOT-CQSZACIVSA-N -1 3 374.404 3.129 20 0 FGADHM O=C(Nc1n[n-]c(-c2ccco2)n1)[C@@H]1CCn2c(cnc2-c2ccccc2)C1 ZINC000364926312 498211981 /nfs/dbraw/zinc/21/19/81/498211981.db2.gz ZIZLBSJEAIZWOT-CQSZACIVSA-N -1 3 374.404 3.129 20 0 FGADHM O=S(=O)([N-]c1ccccc1F)c1c[nH]c(-c2nc([C@H]3CC34CC4)no2)c1 ZINC000351291560 498213408 /nfs/dbraw/zinc/21/34/08/498213408.db2.gz SINBTWJFBDRPCL-LLVKDONJSA-N -1 3 374.397 3.272 20 0 FGADHM CCC(=O)c1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCO[C@H](C3CC3)C2)c1 ZINC000281620060 498216794 /nfs/dbraw/zinc/21/67/94/498216794.db2.gz ZVCGRIDANHWNCY-CJNGLKHVSA-N -1 3 371.886 3.169 20 0 FGADHM Cc1cn(-c2ccc(Cl)cc2)nc1-n1c([O-])c(CC(F)(F)F)[nH]c1=O ZINC000285862471 498222508 /nfs/dbraw/zinc/22/25/08/498222508.db2.gz AJQRTIVVOZCWNZ-LLVKDONJSA-N -1 3 372.734 3.211 20 0 FGADHM C[C@H]1CCN(Cc2cccc(C(=O)Nc3ccccc3)c2)C[C@H]1C(=O)[O-] ZINC000581488333 506000200 /nfs/dbraw/zinc/00/02/00/506000200.db2.gz CDHJQZIZLHXHHB-HNAYVOBHSA-N -1 3 352.434 3.482 20 0 FGADHM O=C(NC1(CF)CCOCC1)c1cc(CCc2ccccc2)ccc1[O-] ZINC000572577041 506002236 /nfs/dbraw/zinc/00/22/36/506002236.db2.gz FNFQFHPKDYFLGK-UHFFFAOYSA-N -1 3 357.425 3.426 20 0 FGADHM CC(C)(C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)c1cccc(F)c1 ZINC000281702728 498241704 /nfs/dbraw/zinc/24/17/04/498241704.db2.gz MBGSDFFPVIBBMX-UHFFFAOYSA-N -1 3 374.378 3.020 20 0 FGADHM O=C([N-]C[C@@H]1CCCN(C(=O)Nc2cccc3[nH]ccc32)C1)C(F)(F)F ZINC000289703908 498255604 /nfs/dbraw/zinc/25/56/04/498255604.db2.gz DWNUFGNXHLELCA-NSHDSACASA-N -1 3 368.359 3.090 20 0 FGADHM C[C@H](CC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)c1ccccc1 ZINC000281784106 498268058 /nfs/dbraw/zinc/26/80/58/498268058.db2.gz RWPOYOUSBMQVLO-CYBMUJFWSA-N -1 3 356.388 3.097 20 0 FGADHM CC[C@@H](NC(=O)CCc1ccc2ccccc2c1[O-])[C@@H](O)C(F)(F)F ZINC000296976769 498273550 /nfs/dbraw/zinc/27/35/50/498273550.db2.gz DLDGQJLTGVLFTG-RHSMWYFYSA-N -1 3 355.356 3.296 20 0 FGADHM CC[C@H](C)CO[N-]C(=O)Nc1ccc2c(c1)N(CC(F)F)C(=O)CS2 ZINC000296976837 498273918 /nfs/dbraw/zinc/27/39/18/498273918.db2.gz IVLKEIANNRTSKE-JTQLQIEISA-N -1 3 373.425 3.490 20 0 FGADHM Cc1cc(Br)ccc1-n1c([O-])c(CC(F)(F)F)[nH]c1=O ZINC000286070596 498284670 /nfs/dbraw/zinc/28/46/70/498284670.db2.gz SOUMOGXNZCFSID-QMMMGPOBSA-N -1 3 351.122 3.135 20 0 FGADHM COC(=O)c1ccc(-c2nc(C3(c4ccc(C)cc4)CCOCC3)no2)[n-]1 ZINC000293147182 498285040 /nfs/dbraw/zinc/28/50/40/498285040.db2.gz WYHOAGFCLSZDKJ-UHFFFAOYSA-N -1 3 367.405 3.256 20 0 FGADHM COc1ccc([O-])c(C(=O)N2CCCC[C@H]2c2nnc([C@H]3CCCO3)o2)c1 ZINC000289780486 498289748 /nfs/dbraw/zinc/28/97/48/498289748.db2.gz QJVTYHAITSIAMY-GOEBONIOSA-N -1 3 373.409 3.003 20 0 FGADHM C[C@@H]1C(=O)CC[C@@H]1CC(=O)[N-]OCc1ccc(F)cc1Br ZINC000281894110 498308147 /nfs/dbraw/zinc/30/81/47/498308147.db2.gz PMJUHBJOBAGGHL-VHSXEESVSA-N -1 3 358.207 3.141 20 0 FGADHM COc1ccc(-c2nc([N-]C(=O)c3nc(C(C)C)oc3C)n[nH]2)c(OC)c1 ZINC000286156021 498308235 /nfs/dbraw/zinc/30/82/35/498308235.db2.gz XPOZEOHSVLHJHF-UHFFFAOYSA-N -1 3 371.397 3.161 20 0 FGADHM Cc1nc(C2([N-]S(=O)(=O)Cc3c(C)cccc3C)CCCCC2)no1 ZINC000581561352 506015661 /nfs/dbraw/zinc/01/56/61/506015661.db2.gz QSPAZPOQWGCWFM-UHFFFAOYSA-N -1 3 363.483 3.274 20 0 FGADHM Cc1cccc(C)c1CS(=O)(=O)[N-]Cc1nnc(-c2ccccc2)s1 ZINC000578770459 506016905 /nfs/dbraw/zinc/01/69/05/506016905.db2.gz IVTMFEZBNCZNCX-UHFFFAOYSA-N -1 3 373.503 3.442 20 0 FGADHM CN1C(=O)C[C@@H]([N-]c2nnc(C(F)F)o2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000293306947 498340185 /nfs/dbraw/zinc/34/01/85/498340185.db2.gz ZASYXKBYBVGDEG-KOLCDFICSA-N -1 3 360.723 3.184 20 0 FGADHM COc1ccc(-c2nc([N-]C(=O)c3oc(C(C)C)nc3C)n[nH]2)c(OC)c1 ZINC000293371219 498362098 /nfs/dbraw/zinc/36/20/98/498362098.db2.gz JDACZHIWYRSYCX-UHFFFAOYSA-N -1 3 371.397 3.161 20 0 FGADHM COC(=O)c1cc(NC(=O)[N-]OCC2CC2)c(C)cc1Br ZINC000297222158 498364419 /nfs/dbraw/zinc/36/44/19/498364419.db2.gz ZLAXBHPYLBHGIY-UHFFFAOYSA-N -1 3 357.204 3.007 20 0 FGADHM C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)N=c2cc(OC(F)F)n(C)[n-]2)C1 ZINC000331559042 498372577 /nfs/dbraw/zinc/37/25/77/498372577.db2.gz PGUFKLPCRRWAOL-GWCFXTLKSA-N -1 3 368.359 3.198 20 0 FGADHM C[C@@H]1CCN(C(=O)N=c2cc(OC(F)F)n(C)[n-]2)[C@@H]1c1cccc(F)c1 ZINC000331576525 498379544 /nfs/dbraw/zinc/37/95/44/498379544.db2.gz RNALQKGGAJTAGF-BMIGLBTASA-N -1 3 368.359 3.198 20 0 FGADHM Cc1cc(C)cc(-c2n[n-]c(=NC(=O)N[C@H](C)C3=CCN(C)CC3)s2)c1 ZINC000331632617 498401481 /nfs/dbraw/zinc/40/14/81/498401481.db2.gz LYGRBWFQHODAFB-CQSZACIVSA-N -1 3 371.510 3.016 20 0 FGADHM CN(C)C[C@H]1CN(C(=O)c2cc(F)c([O-])c(Cl)c2)c2ccccc2O1 ZINC000365321784 498404958 /nfs/dbraw/zinc/40/49/58/498404958.db2.gz IEFSTVMJTFIAJR-LBPRGKRZSA-N -1 3 364.804 3.154 20 0 FGADHM C[C@@H](CCCNC(=O)OC(C)(C)C)NC(=O)NCc1ccc([O-])c(F)c1 ZINC000297331569 498408671 /nfs/dbraw/zinc/40/86/71/498408671.db2.gz YVJAFXHPCMMXFZ-LBPRGKRZSA-N -1 3 369.437 3.024 20 0 FGADHM CC1(C)CN(C(=O)NCc2nnc(C(F)(F)F)[n-]2)c2cccc(Cl)c21 ZINC000331678515 498418266 /nfs/dbraw/zinc/41/82/66/498418266.db2.gz SEESSQKNSAFMLU-UHFFFAOYSA-N -1 3 373.766 3.484 20 0 FGADHM CC1(C)CN(C(=O)NCc2n[n-]c(C(F)(F)F)n2)c2cccc(Cl)c21 ZINC000331678515 498418273 /nfs/dbraw/zinc/41/82/73/498418273.db2.gz SEESSQKNSAFMLU-UHFFFAOYSA-N -1 3 373.766 3.484 20 0 FGADHM CC1(C)CN(C(=O)NCc2nc(C(F)(F)F)n[n-]2)c2cccc(Cl)c21 ZINC000331678515 498418281 /nfs/dbraw/zinc/41/82/81/498418281.db2.gz SEESSQKNSAFMLU-UHFFFAOYSA-N -1 3 373.766 3.484 20 0 FGADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCSC[C@H]1c1ccccc1 ZINC000361683982 498418749 /nfs/dbraw/zinc/41/87/49/498418749.db2.gz FQFXQJJKIALANH-SFHVURJKSA-N -1 3 350.443 3.458 20 0 FGADHM Cc1ccc2[n-]cc(C(=O)N(C[C@@H]3CCCO3)C3CCCC3)c(=O)c2c1 ZINC000581624566 506030753 /nfs/dbraw/zinc/03/07/53/506030753.db2.gz NQSSJJBNZPGSPY-INIZCTEOSA-N -1 3 354.450 3.400 20 0 FGADHM CCOc1cc(CN2CC[C@@H](n3cccn3)C2)cc(Br)c1[O-] ZINC000297365987 498422342 /nfs/dbraw/zinc/42/23/42/498422342.db2.gz HGBKETASYDLQKQ-CYBMUJFWSA-N -1 3 366.259 3.197 20 0 FGADHM C[C@@H]1CCCc2nc(S(=O)(=O)[N-]Cc3ccc(F)c(Cl)c3)cn21 ZINC000578848141 506035816 /nfs/dbraw/zinc/03/58/16/506035816.db2.gz KHZFEVLLESLBED-SNVBAGLBSA-N -1 3 357.838 3.051 20 0 FGADHM CC1(O)C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000362201068 498475949 /nfs/dbraw/zinc/47/59/49/498475949.db2.gz NXAVVTQMWDJLEZ-AQKKSAQBSA-N -1 3 367.445 3.489 20 0 FGADHM CC(C)(C)OC(=O)[C@@H]1CCCN1C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000331882764 498486844 /nfs/dbraw/zinc/48/68/44/498486844.db2.gz VQPPOLIMPSSWBY-AWEZNQCLSA-N -1 3 361.438 3.052 20 0 FGADHM CCCS(=O)(=O)Nc1ccc(NCc2c(F)ccc([O-])c2F)cc1 ZINC000293783160 498488266 /nfs/dbraw/zinc/48/82/66/498488266.db2.gz BCQRBBRUVYOEQZ-UHFFFAOYSA-N -1 3 356.394 3.434 20 0 FGADHM Cc1noc([C@H]2CCCCN2C(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)n1 ZINC000286758452 498500869 /nfs/dbraw/zinc/50/08/69/498500869.db2.gz RRHQDIXFQDIPGX-OAHLLOKOSA-N -1 3 370.384 3.447 20 0 FGADHM COc1ccc(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)cc1Br ZINC000581683963 506044232 /nfs/dbraw/zinc/04/42/32/506044232.db2.gz OREZVVBZMHTYLG-UHFFFAOYSA-N -1 3 364.199 3.083 20 0 FGADHM CSc1ccc(C(=O)N2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)c([O-])c1 ZINC000365522109 498511087 /nfs/dbraw/zinc/51/10/87/498511087.db2.gz MMVCYGWNKODQBR-GFCCVEGCSA-N -1 3 358.467 3.129 20 0 FGADHM O=C([N-]C[C@@H]1CCCN(C(=O)c2ccc3sccc3c2)C1)C(F)(F)F ZINC000290332650 498511372 /nfs/dbraw/zinc/51/13/72/498511372.db2.gz JOKDJLHIGVESKT-NSHDSACASA-N -1 3 370.396 3.432 20 0 FGADHM C[C@@H]1CCN(CC2=Cc3cc(Br)ccc3OC2)C[C@H]1C(=O)[O-] ZINC000572761861 506046811 /nfs/dbraw/zinc/04/68/11/506046811.db2.gz KABJUWLSMMASCH-IAQYHMDHSA-N -1 3 366.255 3.268 20 0 FGADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCC(c3nccc(C(F)(F)F)n3)CC2)n1 ZINC000365554855 498531379 /nfs/dbraw/zinc/53/13/79/498531379.db2.gz DVEHYBYZSUDHIG-LLVKDONJSA-N -1 3 367.375 3.240 20 0 FGADHM COc1ccc([C@H](NC(=O)c2ccc(O)cc2[O-])C2CCOCC2)cc1 ZINC000362651861 498531482 /nfs/dbraw/zinc/53/14/82/498531482.db2.gz AZBGJWVTRUQLHZ-IBGZPJMESA-N -1 3 357.406 3.004 20 0 FGADHM O=C(NCCNc1ncc(Br)cc1Cl)c1ccc([O-])cc1 ZINC000302729905 498549533 /nfs/dbraw/zinc/54/95/33/498549533.db2.gz LOQZJTYXFWEIOS-UHFFFAOYSA-N -1 3 370.634 3.045 20 0 FGADHM C/C(=C\C(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1)c1ccccc1 ZINC000290470130 498565227 /nfs/dbraw/zinc/56/52/27/498565227.db2.gz VZYXRSFIULQPQH-UELRPHRMSA-N -1 3 354.372 3.007 20 0 FGADHM CCc1ccc(C(=O)N2CCC(C(=O)Nc3ccc(C)cc3[O-])CC2)o1 ZINC000362887891 498573246 /nfs/dbraw/zinc/57/32/46/498573246.db2.gz DXJPXYGVGSWIKU-UHFFFAOYSA-N -1 3 356.422 3.347 20 0 FGADHM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000290518704 498583204 /nfs/dbraw/zinc/58/32/04/498583204.db2.gz ZKGVAGWXHHQHLL-UPJWGTAASA-N -1 3 374.428 3.077 20 0 FGADHM CC[C@@H]1CCN1C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000294143826 498602217 /nfs/dbraw/zinc/60/22/17/498602217.db2.gz UUSHALYMPVDRIN-MJGOQNOKSA-N -1 3 352.434 3.264 20 0 FGADHM Cc1cc(CNC(=O)c2c[n-]c3ccccc3c2=O)cc(N2CCCC2)n1 ZINC000290627716 498624287 /nfs/dbraw/zinc/62/42/87/498624287.db2.gz UTDYOVGBBVQVTK-UHFFFAOYSA-N -1 3 362.433 3.174 20 0 FGADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCO[C@H](c2ccccc2Cl)C1 ZINC000363069331 498633542 /nfs/dbraw/zinc/63/35/42/498633542.db2.gz HJAZBHIKTUDNKW-IBGZPJMESA-N -1 3 368.820 3.395 20 0 FGADHM O=C(Cc1csc(NC(=O)c2cccc([O-])c2)n1)N1C[C@H]2CCCC[C@H]21 ZINC000365774570 498635388 /nfs/dbraw/zinc/63/53/88/498635388.db2.gz UMOUANBNICOVJC-CZUORRHYSA-N -1 3 371.462 3.045 20 0 FGADHM CCOc1cc(CN2CC[C@H](C(F)(F)F)[C@@H](CO)C2)cc(Cl)c1[O-] ZINC000298030142 498643357 /nfs/dbraw/zinc/64/33/57/498643357.db2.gz FVPRFFHFGPRHBM-NEPJUHHUSA-N -1 3 367.795 3.437 20 0 FGADHM Cc1cccc(C(=O)NC[C@H](O)COc2cccc(Cl)c2Cl)c1[O-] ZINC000303070201 498646340 /nfs/dbraw/zinc/64/63/40/498646340.db2.gz ZWSWVUGKQGZDDW-NSHDSACASA-N -1 3 370.232 3.177 20 0 FGADHM O=C(Cc1ccc(Br)cc1[O-])N1CCOC2(CCCCC2)C1 ZINC000572851970 506067765 /nfs/dbraw/zinc/06/77/65/506067765.db2.gz LCVYYEAOJBZGTQ-UHFFFAOYSA-N -1 3 368.271 3.259 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]Cc2ccc(Br)cc2)c(F)c1 ZINC000303261457 498658702 /nfs/dbraw/zinc/65/87/02/498658702.db2.gz DAVQOTWCPLRVDX-UHFFFAOYSA-N -1 3 358.232 3.375 20 0 FGADHM CN(CC[C@@H](C(=O)[O-])c1ccccc1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000578995573 506069876 /nfs/dbraw/zinc/06/98/76/506069876.db2.gz OPNCMOCCPYENNR-VQIMIIECSA-N -1 3 370.424 3.121 20 0 FGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H]1COc2ccc(Cl)cc21 ZINC000332369549 498666545 /nfs/dbraw/zinc/66/65/45/498666545.db2.gz YEQGXFDWOYGZTC-GFCCVEGCSA-N -1 3 361.829 3.305 20 0 FGADHM CCOc1cc(CN[C@@]2(CO)CCOc3ccccc32)cc(Cl)c1[O-] ZINC000298126607 498671593 /nfs/dbraw/zinc/67/15/93/498671593.db2.gz PSICXBKHUKHEHZ-LJQANCHMSA-N -1 3 363.841 3.204 20 0 FGADHM O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1s[n-]c(=O)c1Cl ZINC000282851856 498680638 /nfs/dbraw/zinc/68/06/38/498680638.db2.gz BXUYIOYVXAAKLT-LBPRGKRZSA-N -1 3 351.859 3.069 20 0 FGADHM CCC1(CC)Oc2ccc([N-]S(=O)(=O)C[C@H](OC)C3CC3)cc2O1 ZINC000579009139 506073697 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O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CCCc2c3cccc(F)c3[nH]c2C1 ZINC000579024612 506077165 /nfs/dbraw/zinc/07/71/65/506077165.db2.gz QBCONEJBBLMZBH-UHFFFAOYSA-N -1 3 366.396 3.269 20 0 FGADHM O=C([C@@H]1CCCN(Cc2nc3ccsc3c(=O)[n-]2)C1)N1CCCCCC1 ZINC000363239554 498721508 /nfs/dbraw/zinc/72/15/08/498721508.db2.gz XYHWNRDPQPFMON-CQSZACIVSA-N -1 3 374.510 3.012 20 0 FGADHM Cc1cnc(C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)c([O-])c1 ZINC000332550529 498723423 /nfs/dbraw/zinc/72/34/23/498723423.db2.gz PFMKQKBPFHNYQV-SJLPKXTDSA-N -1 3 353.466 3.221 20 0 FGADHM CCOCCCC[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000282959145 498725065 /nfs/dbraw/zinc/72/50/65/498725065.db2.gz KHZHNONLBMJVAU-UHFFFAOYSA-N -1 3 370.696 3.198 20 0 FGADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000366010976 498731084 /nfs/dbraw/zinc/73/10/84/498731084.db2.gz MGEIGZSIBRDSQW-VQTJNVASSA-N -1 3 369.417 3.205 20 0 FGADHM COc1ccccc1-c1noc([C@@H](C)[N-]S(=O)(=O)[C@@H](C)CC(C)C)n1 ZINC000363264539 498736187 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FGADHM O=S(=O)([N-]C[C@H]1CCC[C@@H](CO)C1)c1c(Cl)cccc1Cl ZINC000315155233 498781787 /nfs/dbraw/zinc/78/17/87/498781787.db2.gz VXYODCYFUUCLOM-WDEREUQCSA-N -1 3 352.283 3.070 20 0 FGADHM COc1cc(C(=O)[N-]c2ncnn2C(C)(C)C)sc1Br ZINC000283138609 498794510 /nfs/dbraw/zinc/79/45/10/498794510.db2.gz WQPIFDMIYBZTSW-UHFFFAOYSA-N -1 3 359.249 3.118 20 0 FGADHM O=S(=O)([N-]C1CCN([C@@H]2C[C@@H]2c2ccccc2)CC1)c1cccs1 ZINC000291101776 498794998 /nfs/dbraw/zinc/79/49/98/498794998.db2.gz RINAZYQZNGFMMP-IAGOWNOFSA-N -1 3 362.520 3.047 20 0 FGADHM COc1cccc(Cc2nnc([N-]C(=O)c3cnc(C4CC4)nc3)s2)c1 ZINC000294771143 498798803 /nfs/dbraw/zinc/79/88/03/498798803.db2.gz ZCJLDIQYFCIXPO-UHFFFAOYSA-N -1 3 367.434 3.057 20 0 FGADHM O=C([N-]OC[C@H]1CCOC1)Nc1ccc(Cl)cc1OCC(F)F ZINC000287603893 498811240 /nfs/dbraw/zinc/81/12/40/498811240.db2.gz NMQFFMXXHDCAQF-VIFPVBQESA-N -1 3 350.749 3.074 20 0 FGADHM [O-]C(=NOC[C@H]1CCOC1)Nc1ccc(Cl)cc1OCC(F)F ZINC000287603893 498811233 /nfs/dbraw/zinc/81/12/33/498811233.db2.gz NMQFFMXXHDCAQF-VIFPVBQESA-N -1 3 350.749 3.074 20 0 FGADHM CCOc1ccc([C@H](O)C2CCN(C(=O)c3c([O-])cccc3O)CC2)cc1 ZINC000291152651 498818389 /nfs/dbraw/zinc/81/83/89/498818389.db2.gz ZAQZNTYKZNAVQY-FQEVSTJZSA-N -1 3 371.433 3.082 20 0 FGADHM CS(=O)(=O)c1ccc(SCc2noc(-c3ccccc3[O-])n2)cc1 ZINC000363442964 498824462 /nfs/dbraw/zinc/82/44/62/498824462.db2.gz UHOUAGWPYGEIBH-UHFFFAOYSA-N -1 3 362.432 3.138 20 0 FGADHM Cc1nc(-c2ccc(N[C@@H]3CN(C)Cc4ccccc43)nc2)[n-]c(=O)c1C ZINC000363448911 498826431 /nfs/dbraw/zinc/82/64/31/498826431.db2.gz HWEWAJIMVMTNOH-GOSISDBHSA-N -1 3 361.449 3.460 20 0 FGADHM CCOC(=O)c1cc(C(=O)O[C@@H]([C@@H]2CCCOC2)C(F)(F)F)[n-]c1C ZINC000298634606 498835022 /nfs/dbraw/zinc/83/50/22/498835022.db2.gz NCPUADQFILUTIK-MFKMUULPSA-N -1 3 363.332 3.014 20 0 FGADHM Cc1ccc2[n-]cc(C(=O)N3CC[C@](CO)(c4ccccc4)C3)c(=O)c2c1 ZINC000291210728 498844532 /nfs/dbraw/zinc/84/45/32/498844532.db2.gz MRTOMPXDFVXBQW-QFIPXVFZSA-N -1 3 362.429 3.025 20 0 FGADHM COc1cccc2c(C(=O)Nc3cccc4c3OCC[C@@H]4OC)[n-]nc21 ZINC000581968369 506101970 /nfs/dbraw/zinc/10/19/70/506101970.db2.gz FZYKRWICAAZMMH-AWEZNQCLSA-N -1 3 353.378 3.294 20 0 FGADHM COc1cccc2c(C(=O)Nc3cccc4c3OCC[C@@H]4OC)n[n-]c21 ZINC000581968369 506101974 /nfs/dbraw/zinc/10/19/74/506101974.db2.gz FZYKRWICAAZMMH-AWEZNQCLSA-N -1 3 353.378 3.294 20 0 FGADHM CC[C@@H]1OCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000576211040 506102803 /nfs/dbraw/zinc/10/28/03/506102803.db2.gz WXAXUVGOHYDIGG-MNOVXSKESA-N -1 3 357.781 3.205 20 0 FGADHM C[C@H]1CCC[C@@]1(O)C[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000328059768 498864974 /nfs/dbraw/zinc/86/49/74/498864974.db2.gz BAZVDZAYPWBJLH-TVQRCGJNSA-N -1 3 371.808 3.188 20 0 FGADHM C[C@H]1CCC[C@]1(O)C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000328232123 498866349 /nfs/dbraw/zinc/86/63/49/498866349.db2.gz DMSGFXIEASJQTQ-ZANVPECISA-N -1 3 371.808 3.188 20 0 FGADHM O=C(NC1CCN(c2nccs2)CC1)c1cc2c(cc1[O-])CCCC2 ZINC000333030868 498876586 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/nfs/dbraw/zinc/37/82/45/499378245.db2.gz IDUAGODYUQXACP-ZBEGNZNMSA-N -1 3 371.418 3.345 20 0 FGADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCC[C@@H](COc2ccccc2)C1 ZINC000369432489 499402741 /nfs/dbraw/zinc/40/27/41/499402741.db2.gz AYZPYMWIMIXKTB-MRXNPFEDSA-N -1 3 362.429 3.459 20 0 FGADHM COc1cc(C)cc(C(=O)Nc2cccc(-c3nnc(C)n3C)c2)c1[O-] ZINC000372190737 499407122 /nfs/dbraw/zinc/40/71/22/499407122.db2.gz CZRKBQYVGYWWKO-UHFFFAOYSA-N -1 3 352.394 3.065 20 0 FGADHM Cn1nc2c(c1C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)CCCC2 ZINC000582155631 506145991 /nfs/dbraw/zinc/14/59/91/506145991.db2.gz KRMLGXHAOFRPPH-UHFFFAOYSA-N -1 3 374.293 3.084 20 0 FGADHM Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3cnc4c(cnn4C)c3[O-])C2)cc1 ZINC000369667125 499434075 /nfs/dbraw/zinc/43/40/75/499434075.db2.gz YNLWAGIIKSECAA-UKRRQHHQSA-N -1 3 350.422 3.001 20 0 FGADHM CCCCC[C@@H](C)CC(=O)N1CCC(c2n[n-]c(C(=O)OCC)n2)CC1 ZINC000373075636 499450098 /nfs/dbraw/zinc/45/00/98/499450098.db2.gz XQUBXSJMEIRDBE-CQSZACIVSA-N -1 3 364.490 3.294 20 0 FGADHM CCCCC[C@@H](C)CC(=O)N1CCC(c2nnc(C(=O)OCC)[n-]2)CC1 ZINC000373075636 499450099 /nfs/dbraw/zinc/45/00/99/499450099.db2.gz XQUBXSJMEIRDBE-CQSZACIVSA-N -1 3 364.490 3.294 20 0 FGADHM CCOc1cc(-c2noc([C@H]3CCCN(c4ncccn4)C3)n2)ccc1[O-] ZINC000373213428 499457830 /nfs/dbraw/zinc/45/78/30/499457830.db2.gz AKPPRXLNCUFBAM-AWEZNQCLSA-N -1 3 367.409 3.015 20 0 FGADHM O=c1nc(CN2CC[C@H]3OCC[C@H]3C2)[n-]c2scc(-c3ccco3)c21 ZINC000373299623 499462286 /nfs/dbraw/zinc/46/22/86/499462286.db2.gz OQHGDPVQQRAKFK-WCQYABFASA-N -1 3 357.435 3.268 20 0 FGADHM C[C@H]1CCN(C(=O)NC2CCN(C(=O)c3cccc([O-])c3)CC2)CC1(C)C ZINC000373378941 499466407 /nfs/dbraw/zinc/46/64/07/499466407.db2.gz RVMDGKWNDUTJSN-HNNXBMFYSA-N -1 3 373.497 3.074 20 0 FGADHM CC(C)c1cc(C(=O)N=c2cc(-c3ccc4ncccc4c3)o[n-]2)nn1C ZINC000373416316 499468538 /nfs/dbraw/zinc/46/85/38/499468538.db2.gz HDPGGKDFMAOFFC-UHFFFAOYSA-N -1 3 361.405 3.421 20 0 FGADHM Cc1cnn(Cc2cc(C(=O)[N-]c3nc(-c4ccccc4F)co3)no2)c1 ZINC000373522393 499474805 /nfs/dbraw/zinc/47/48/05/499474805.db2.gz NCCLKUQNZQPKHS-UHFFFAOYSA-N -1 3 367.340 3.274 20 0 FGADHM COc1cccc([C@H]([N-]S(=O)(=O)c2cccs2)c2ccccn2)c1 ZINC000375224174 499496936 /nfs/dbraw/zinc/49/69/36/499496936.db2.gz LADQBLBVJTVFSZ-KRWDZBQOSA-N -1 3 360.460 3.220 20 0 FGADHM Cc1c(C(=O)N2CC[C@@H](C)c3cccc([O-])c32)cnn1CC1CCOCC1 ZINC000375286113 499503326 /nfs/dbraw/zinc/50/33/26/499503326.db2.gz IAWSCDFJLWXSAJ-CQSZACIVSA-N -1 3 369.465 3.478 20 0 FGADHM O=C([N-]c1ncn(-c2ccccn2)n1)c1csc(-c2ccsc2)n1 ZINC000378380520 499509746 /nfs/dbraw/zinc/50/97/46/499509746.db2.gz WNAWSISMMXBDDT-UHFFFAOYSA-N -1 3 354.420 3.100 20 0 FGADHM CCCCOc1ccc(C(=O)N2CCOC[C@H]2c2c(C)n[nH]c2C)c([O-])c1 ZINC000375466173 499522506 /nfs/dbraw/zinc/52/25/06/499522506.db2.gz BPWMUUPVKMDBFO-KRWDZBQOSA-N -1 3 373.453 3.125 20 0 FGADHM CCOC(=O)c1csc(=N[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)[n-]1 ZINC000379606047 499541894 /nfs/dbraw/zinc/54/18/94/499541894.db2.gz BGQNNERWJGTTLF-ZBFHGGJFSA-N -1 3 359.495 3.207 20 0 FGADHM CO[C@H](C[N-]S(=O)(=O)c1ccc(Br)cc1Cl)C(C)C ZINC000381316853 499544627 /nfs/dbraw/zinc/54/46/27/499544627.db2.gz VJEVKYJJSSAGRU-LLVKDONJSA-N -1 3 370.696 3.052 20 0 FGADHM C[C@@H](CC(C)(C)O)[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000384987736 499547809 /nfs/dbraw/zinc/54/78/09/499547809.db2.gz KGOLCHFZNQSUIU-QMMMGPOBSA-N -1 3 359.797 3.187 20 0 FGADHM CCOC(=O)c1csc(=NC[C@H]2CCCN(Cc3ccccc3)C2)[n-]1 ZINC000386022404 499548454 /nfs/dbraw/zinc/54/84/54/499548454.db2.gz WYFRPTIIAKHDFR-MRXNPFEDSA-N -1 3 359.495 3.066 20 0 FGADHM C[C@@H](CNC(=O)C[C@](C)(C(=O)[O-])c1ccccc1)N(C)Cc1ccccc1 ZINC000390464168 499554712 /nfs/dbraw/zinc/55/47/12/499554712.db2.gz HCBHNUCHZNISAX-JTSKRJEESA-N -1 3 368.477 3.056 20 0 FGADHM C[C@H]1CSC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000397833404 499565176 /nfs/dbraw/zinc/56/51/76/499565176.db2.gz DOAOLCAIIJGYAI-WRWORJQWSA-N -1 3 370.721 3.132 20 0 FGADHM O=C(c1cc([O-])c2ccccc2c1)N1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000376151549 499586835 /nfs/dbraw/zinc/58/68/35/499586835.db2.gz WGOOSAURASQUID-DNVCBOLYSA-N -1 3 364.445 3.161 20 0 FGADHM Cc1ccc(-c2nnc(NC(=O)c3ccc4c(c3)nc(C(F)F)n4C)[n-]2)o1 ZINC000409824843 499623700 /nfs/dbraw/zinc/62/37/00/499623700.db2.gz QNFGTBCPZHLIMZ-UHFFFAOYSA-N -1 3 372.335 3.450 20 0 FGADHM Cc1ccc(-c2n[n-]c(NC(=O)c3ccc4c(c3)nc(C(F)F)n4C)n2)o1 ZINC000409824843 499623702 /nfs/dbraw/zinc/62/37/02/499623702.db2.gz QNFGTBCPZHLIMZ-UHFFFAOYSA-N -1 3 372.335 3.450 20 0 FGADHM Cc1ccc(-c2nc(NC(=O)c3ccc4c(c3)nc(C(F)F)n4C)n[n-]2)o1 ZINC000409824843 499623704 /nfs/dbraw/zinc/62/37/04/499623704.db2.gz QNFGTBCPZHLIMZ-UHFFFAOYSA-N -1 3 372.335 3.450 20 0 FGADHM COc1ccc(C(=O)N2CCC[C@H]2C(=O)Nc2ccc(Cl)cc2[O-])cc1 ZINC000409856723 499625679 /nfs/dbraw/zinc/62/56/79/499625679.db2.gz GXWYJXVZJQVOMZ-INIZCTEOSA-N -1 3 374.824 3.298 20 0 FGADHM O=S(=O)([N-]CCc1cccc2[nH]ccc21)c1cc(F)ccc1Cl ZINC000409917915 499629420 /nfs/dbraw/zinc/62/94/20/499629420.db2.gz GJJPSXVNFXTDPQ-UHFFFAOYSA-N -1 3 352.818 3.481 20 0 FGADHM CSc1ccccc1[C@@H](C)NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000410040880 499637874 /nfs/dbraw/zinc/63/78/74/499637874.db2.gz ZNYULUSMDLENLS-SNVBAGLBSA-N -1 3 355.419 3.175 20 0 FGADHM CCOc1cc(C(=O)Nc2ccccc2-c2nnc[nH]2)cc(Cl)c1[O-] ZINC000376922112 499646612 /nfs/dbraw/zinc/64/66/12/499646612.db2.gz IACWXSARKAWIRI-UHFFFAOYSA-N -1 3 358.785 3.482 20 0 FGADHM Cc1cccc2oc(CC[N-]S(=O)(=O)c3cc(F)c(F)c(F)c3)nc21 ZINC000410324727 499654759 /nfs/dbraw/zinc/65/47/59/499654759.db2.gz SSGFJVQYDFCQGE-UHFFFAOYSA-N -1 3 370.352 3.075 20 0 FGADHM COc1ncc(C(=O)Nc2cccc(-c3nc(C)cc(=O)[n-]3)c2)cc1Cl ZINC000377133036 499665025 /nfs/dbraw/zinc/66/50/25/499665025.db2.gz YVGLAKBETQXJFQ-UHFFFAOYSA-N -1 3 370.796 3.467 20 0 FGADHM O=C([N-]c1nncn1-c1cccnc1)c1cc(-c2ccccc2Cl)on1 ZINC000377146923 499666045 /nfs/dbraw/zinc/66/60/45/499666045.db2.gz QSDODXAMNOWIPD-UHFFFAOYSA-N -1 3 366.768 3.223 20 0 FGADHM CCCCc1nc(C(=O)OCC)c(NC(=O)[C@H]2CCC[C@@H](OC)C2)[n-]1 ZINC000410752595 499676894 /nfs/dbraw/zinc/67/68/94/499676894.db2.gz HMPPZJSJNSVYSL-QWHCGFSZSA-N -1 3 351.447 3.073 20 0 FGADHM CCCCc1nc(NC(=O)[C@H]2CCC[C@@H](OC)C2)c(C(=O)OCC)[n-]1 ZINC000410752595 499676896 /nfs/dbraw/zinc/67/68/96/499676896.db2.gz HMPPZJSJNSVYSL-QWHCGFSZSA-N -1 3 351.447 3.073 20 0 FGADHM CCCCc1nc(C(=O)OCC)c(NC(=O)[C@H]2CCCC[C@H]2OC)[n-]1 ZINC000410756800 499677077 /nfs/dbraw/zinc/67/70/77/499677077.db2.gz XOMMHAXMHDVYBZ-QWHCGFSZSA-N -1 3 351.447 3.073 20 0 FGADHM CCCCc1nc(NC(=O)[C@H]2CCCC[C@H]2OC)c(C(=O)OCC)[n-]1 ZINC000410756800 499677079 /nfs/dbraw/zinc/67/70/79/499677079.db2.gz XOMMHAXMHDVYBZ-QWHCGFSZSA-N -1 3 351.447 3.073 20 0 FGADHM Cc1nc(C)c(CCC(=O)N2CCC[C@H]2c2ccc(F)cc2F)c(=O)[n-]1 ZINC000411078031 499696230 /nfs/dbraw/zinc/69/62/30/499696230.db2.gz WSXDOXJIWPKSFU-KRWDZBQOSA-N -1 3 361.392 3.374 20 0 FGADHM CC(=O)c1ccc(C(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)cc1[O-] ZINC000411328202 499726418 /nfs/dbraw/zinc/72/64/18/499726418.db2.gz PFJKPJHNOARTOJ-KRWDZBQOSA-N -1 3 355.390 3.405 20 0 FGADHM O=S(=O)(CCC1CCC1)[N-][C@@H](c1noc(C2CC2)n1)c1ccccc1 ZINC000377863178 499743177 /nfs/dbraw/zinc/74/31/77/499743177.db2.gz CYQCTWXXCNJUFX-MRXNPFEDSA-N -1 3 361.467 3.146 20 0 FGADHM CC(C)C1CCC(N(C)C(=O)C(=O)[N-]c2nccn2-c2ccccc2)CC1 ZINC000411462486 499743678 /nfs/dbraw/zinc/74/36/78/499743678.db2.gz KGQPRRKDZNKLOD-UHFFFAOYSA-N -1 3 368.481 3.484 20 0 FGADHM Cc1ncc(CNC(=O)Nc2cc(C(C)C)nn2-c2ccccc2)c(=O)[n-]1 ZINC000576436180 506158096 /nfs/dbraw/zinc/15/80/96/506158096.db2.gz OOZHNAPMEQVMAL-UHFFFAOYSA-N -1 3 366.425 3.121 20 0 FGADHM CC(C)[C@]1(CO)CCN(C(=O)c2ccc(C(=O)c3cccc([O-])c3)cc2)C1 ZINC000378020280 499755090 /nfs/dbraw/zinc/75/50/90/499755090.db2.gz ZDRVJYVLOGDGOZ-JOCHJYFZSA-N -1 3 367.445 3.104 20 0 FGADHM CC(=O)c1ccc(C(=O)N[C@@H](c2ccc(F)cc2)[C@H]2CCCO2)cc1[O-] ZINC000411586158 499766195 /nfs/dbraw/zinc/76/61/95/499766195.db2.gz NJOYLRNPKCFRDV-MOPGFXCFSA-N -1 3 357.381 3.384 20 0 FGADHM CCOC(=O)CC1(S(=O)(=O)[N-]c2ccc(C(=O)C(C)(C)C)cc2)CC1 ZINC000414373118 499782539 /nfs/dbraw/zinc/78/25/39/499782539.db2.gz LKYPMAQPHFICFK-UHFFFAOYSA-N -1 3 367.467 3.143 20 0 FGADHM CCOC(=O)CC1(S(=O)(=O)[N-]c2c(F)cc(Cl)c(C)c2F)CC1 ZINC000414387994 499785246 /nfs/dbraw/zinc/78/52/46/499785246.db2.gz ZJZIYULDMAPYNQ-UHFFFAOYSA-N -1 3 367.801 3.154 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(OCCN(C)C)c(F)c2)cc1F ZINC000414389182 499785337 /nfs/dbraw/zinc/78/53/37/499785337.db2.gz PDUMUFYICDQDKI-UHFFFAOYSA-N -1 3 370.421 3.014 20 0 FGADHM COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1ccc(CN(C)C)cc1F ZINC000414391148 499785657 /nfs/dbraw/zinc/78/56/57/499785657.db2.gz AJTKCUYYTAYCHS-UHFFFAOYSA-N -1 3 366.458 3.314 20 0 FGADHM Cc1nn(C)c(S(=O)(=O)[N-]c2c(F)c(F)cc(F)c2F)c1C(F)F ZINC000414460988 499794929 /nfs/dbraw/zinc/79/49/29/499794929.db2.gz WXYCVDQPAYTIGJ-UHFFFAOYSA-N -1 3 373.278 3.023 20 0 FGADHM COc1cc(S(=O)(=O)[N-]c2ccc(CN(C)C)cc2C)ccc1F ZINC000414464833 499795498 /nfs/dbraw/zinc/79/54/98/499795498.db2.gz VJOBSSDBTZOQCD-UHFFFAOYSA-N -1 3 352.431 3.005 20 0 FGADHM COc1ccc(CN2CCO[C@H](C3CCC3)C2)c(Br)c1[O-] ZINC000414472028 499796474 /nfs/dbraw/zinc/79/64/74/499796474.db2.gz NISOGNJQDIMKSL-AWEZNQCLSA-N -1 3 356.260 3.164 20 0 FGADHM CS(=O)(=O)c1ccccc1CNCc1cc([O-])cc(C(F)(F)F)c1 ZINC000414499590 499799880 /nfs/dbraw/zinc/79/98/80/499799880.db2.gz AMFGUXDULUDJPA-UHFFFAOYSA-N -1 3 359.369 3.104 20 0 FGADHM O=C(NCc1ccnc(OC(F)F)c1)c1cc([O-])ccc1C(F)(F)F ZINC000570402688 506159898 /nfs/dbraw/zinc/15/98/98/506159898.db2.gz DZSZNMXQGQIHOH-UHFFFAOYSA-N -1 3 362.254 3.337 20 0 FGADHM CC1CCN([C@H](CNC(=O)N(C)CCCC(=O)[O-])c2cccs2)CC1 ZINC000414590925 499812432 /nfs/dbraw/zinc/81/24/32/499812432.db2.gz AURLAKNDBRQTLA-OAHLLOKOSA-N -1 3 367.515 3.027 20 0 FGADHM Cc1nn(-c2ccc(Br)cc2)cc1CN(C)CCCC(=O)[O-] ZINC000414636621 499815977 /nfs/dbraw/zinc/81/59/77/499815977.db2.gz KJEPMRUEQQMLIG-UHFFFAOYSA-N -1 3 366.259 3.240 20 0 FGADHM CC(C)[C@H](C(=O)[O-])N1CC[C@@H](NCc2ccc(-c3ccccc3)s2)C1=O ZINC000414660689 499818115 /nfs/dbraw/zinc/81/81/15/499818115.db2.gz PKZJNGKRKUOZKE-SJLPKXTDSA-N -1 3 372.490 3.215 20 0 FGADHM C[C@@H]1CCN(C(=O)c2c[n-]c3c(Cl)cccc3c2=O)C[C@@H]1n1ccnc1 ZINC000412182096 499831516 /nfs/dbraw/zinc/83/15/16/499831516.db2.gz DVBCFKURCIJFEA-WBMJQRKESA-N -1 3 370.840 3.101 20 0 FGADHM CC(=O)c1ccc(C(=O)NC[C@@H]2CCCN(c3ccccc3)C2)cc1[O-] ZINC000412298823 499842496 /nfs/dbraw/zinc/84/24/96/499842496.db2.gz GMINJSNWGQDACL-INIZCTEOSA-N -1 3 352.434 3.241 20 0 FGADHM Cc1cc(C(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)cc(C(=O)OC(C)(C)C)c1 ZINC000412302686 499842990 /nfs/dbraw/zinc/84/29/90/499842990.db2.gz WPWGHAHATYHRAG-MRXNPFEDSA-N -1 3 371.437 3.199 20 0 FGADHM COc1cc(C(=O)N2CC(c3ccccc3)(C(C)C)C2)cc(OC)c1[O-] ZINC000412809221 499886763 /nfs/dbraw/zinc/88/67/63/499886763.db2.gz NMRZTVYIBGUIFA-UHFFFAOYSA-N -1 3 355.434 3.459 20 0 FGADHM Cc1ccccc1-c1nc(C[N-]S(=O)(=O)CCCC(C)(C)C)no1 ZINC000579410362 506166915 /nfs/dbraw/zinc/16/69/15/506166915.db2.gz GFHQAYDZIBGPGY-UHFFFAOYSA-N -1 3 351.472 3.291 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1cccc(Br)c1F ZINC000428921057 499958549 /nfs/dbraw/zinc/95/85/49/499958549.db2.gz MNZHSNIAIYAWMQ-UHFFFAOYSA-N -1 3 362.162 3.021 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cccc(Br)c1F ZINC000428921057 499958552 /nfs/dbraw/zinc/95/85/52/499958552.db2.gz MNZHSNIAIYAWMQ-UHFFFAOYSA-N -1 3 362.162 3.021 20 0 FGADHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CCC[C@@H](Oc2ccccc2Cl)C1 ZINC000576475937 506167513 /nfs/dbraw/zinc/16/75/13/506167513.db2.gz AUTAVIBTFXWFIJ-CYBMUJFWSA-N -1 3 373.840 3.397 20 0 FGADHM CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1ccc(NC(C)=O)cc1Cl ZINC000421148628 499972971 /nfs/dbraw/zinc/97/29/71/499972971.db2.gz GXNVSCKCVQKVBH-ZDUSSCGKSA-N -1 3 362.879 3.101 20 0 FGADHM CC(C)(C(=O)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1)C1CCC(O)CC1 ZINC000416187098 499973430 /nfs/dbraw/zinc/97/34/30/499973430.db2.gz DHLBPHPUAWVTAW-UHFFFAOYSA-N -1 3 363.408 3.293 20 0 FGADHM CO[C@H](Cc1ccccc1)CS(=O)(=O)[N-]c1cccc(OC(F)F)c1 ZINC000421154262 499974565 /nfs/dbraw/zinc/97/45/65/499974565.db2.gz MYLBAJXBGJVZCN-MRXNPFEDSA-N -1 3 371.405 3.287 20 0 FGADHM COC(=O)c1cc2cc([N-]S(=O)(=O)C[C@H](CC(C)C)OC)ccc2o1 ZINC000421158837 499975729 /nfs/dbraw/zinc/97/57/29/499975729.db2.gz VRSAZUWWCPDUBC-AWEZNQCLSA-N -1 3 369.439 3.022 20 0 FGADHM CCOc1ccc(Cl)c([N-]S(=O)(=O)c2cccc3c2OCC3)c1 ZINC000421163721 499978335 /nfs/dbraw/zinc/97/83/35/499978335.db2.gz IWTCPLFWHJDNOW-UHFFFAOYSA-N -1 3 353.827 3.474 20 0 FGADHM CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1cnc(C(F)(F)F)cc1C ZINC000421162844 499978661 /nfs/dbraw/zinc/97/86/61/499978661.db2.gz GOTYRBMGBBKMBX-NSHDSACASA-N -1 3 354.394 3.212 20 0 FGADHM COC(=O)c1cnc([C@@H](C)NC(=O)c2cc([O-])ccc2C(F)(F)F)s1 ZINC000424983272 499983162 /nfs/dbraw/zinc/98/31/62/499983162.db2.gz RWGKDCXTYIBALX-SSDOTTSWSA-N -1 3 374.340 3.145 20 0 FGADHM COC(=O)c1cccc([N-]C(=O)c2ncc(F)cc2F)c1Br ZINC000429025898 499986928 /nfs/dbraw/zinc/98/69/28/499986928.db2.gz ITAXCDOUOSDYGL-UHFFFAOYSA-N -1 3 371.137 3.161 20 0 FGADHM CC[C@@H](CS(=O)(=O)[N-]c1ccc(-c2cn3ccc(C)cc3n2)cc1)OC 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351.497 3.059 20 0 FGADHM CO[C@@H]1CC[C@@H]2OCCN(C(=O)CCc3ccc4ccccc4c3[O-])[C@@H]2C1 ZINC000582281969 506175572 /nfs/dbraw/zinc/17/55/72/506175572.db2.gz AZBAXTZOOZRSON-RLLQIKCJSA-N -1 3 369.461 3.273 20 0 FGADHM CCC(C)(C)OCC[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000416529191 500056973 /nfs/dbraw/zinc/05/69/73/500056973.db2.gz ZQGVXMAZSDQYSJ-UHFFFAOYSA-N -1 3 368.268 3.072 20 0 FGADHM CC[C@@H]([N-]S(=O)(=O)c1c(C)oc(C)c1C(=O)OC)c1ccccc1 ZINC000416580580 500066342 /nfs/dbraw/zinc/06/63/42/500066342.db2.gz QKWVITZWCRQAAQ-CQSZACIVSA-N -1 3 351.424 3.113 20 0 FGADHM C[C@@H]1C[C@H](C[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)[C@@H](C)O1 ZINC000416592043 500068461 /nfs/dbraw/zinc/06/84/61/500068461.db2.gz CHWHAAPCQJSHBG-OPRDCNLKSA-N -1 3 371.808 3.451 20 0 FGADHM COC1([C@H](C)[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)CCC1 ZINC000416615219 500073156 /nfs/dbraw/zinc/07/31/56/500073156.db2.gz JRLKTXMICUHALH-VIFPVBQESA-N -1 3 355.353 3.080 20 0 FGADHM COC1([C@@H](C)[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)CCC1 ZINC000416615217 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FGADHM Cc1cccc2c1CN(Cc1nc3c(cnn3-c3ccccc3)c(=O)[n-]1)CC2 ZINC000429566584 500104402 /nfs/dbraw/zinc/10/44/02/500104402.db2.gz CZLPWXKNDLLZLY-UHFFFAOYSA-N -1 3 371.444 3.388 20 0 FGADHM Cc1nn(C(C)C)cc1CN[C@@H](CSCCc1ccccc1)C(=O)[O-] ZINC000417567501 500111238 /nfs/dbraw/zinc/11/12/38/500111238.db2.gz SIICBHVJJNNRHB-SFHVURJKSA-N -1 3 361.511 3.291 20 0 FGADHM CC(C)(C)OC(=O)c1cccc(CN[C@@H](C(=O)[O-])c2ccc(O)cc2)c1 ZINC000417566071 500111524 /nfs/dbraw/zinc/11/15/24/500111524.db2.gz HRTNAYGKINTVRO-QGZVFWFLSA-N -1 3 357.406 3.263 20 0 FGADHM CC[C@@]1(C)C[C@H]1C(=O)N=c1[n-]n(CC(F)(F)F)cc1Br ZINC000421684530 500116012 /nfs/dbraw/zinc/11/60/12/500116012.db2.gz YKOYHXZMVVZGIZ-CPCISQLKSA-N -1 3 354.170 3.005 20 0 FGADHM COc1ccc([C@H](CCC(=O)[O-])NCc2ccc([S@@](C)=O)cc2)cc1 ZINC000417585268 500117926 /nfs/dbraw/zinc/11/79/26/500117926.db2.gz ZFFAFTMVGCSBSY-AVRWGWEMSA-N -1 3 361.463 3.128 20 0 FGADHM Cc1ccccc1[C@H](NC(=O)N=c1cc(OC(F)F)n(C)[n-]1)C1CC1 ZINC000429657979 500119027 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20 0 FGADHM Cc1cnn(C[C@@H](NCc2ccc(Cl)c(C(F)(F)F)c2)C(=O)[O-])c1 ZINC000426725529 500311918 /nfs/dbraw/zinc/31/19/18/500311918.db2.gz ZPQMQEXCANNBIF-CYBMUJFWSA-N -1 3 361.751 3.107 20 0 FGADHM COc1ccc([C@H](CCC(=O)[O-])NCc2ccc(NC(C)=O)cc2)cc1 ZINC000426730506 500312267 /nfs/dbraw/zinc/31/22/67/500312267.db2.gz ACLOCVXVXZAMOK-IBGZPJMESA-N -1 3 356.422 3.349 20 0 FGADHM COc1cc(CN[C@H](C(=O)[O-])c2cccc(Cl)c2)cc(OC)c1OC ZINC000426731186 500312415 /nfs/dbraw/zinc/31/24/15/500312415.db2.gz DCRZJNBWKHOUSR-INIZCTEOSA-N -1 3 365.813 3.281 20 0 FGADHM COc1cc(C)nc(CN[C@@H](Cc2cc(Cl)cc(Cl)c2)C(=O)[O-])c1 ZINC000426736434 500313286 /nfs/dbraw/zinc/31/32/86/500313286.db2.gz IXIUGAXRABQYJW-INIZCTEOSA-N -1 3 369.248 3.491 20 0 FGADHM Cc1cnn(C[C@H](NCc2cccc(OCC3CCCCC3)c2)C(=O)[O-])c1 ZINC000426752343 500315555 /nfs/dbraw/zinc/31/55/55/500315555.db2.gz CICPQXBOSXMNOT-FQEVSTJZSA-N -1 3 371.481 3.394 20 0 FGADHM Cc1cc([C@@H](NCc2ccc(-n3cncn3)cc2)C(=O)[O-])ccc1Cl ZINC000426781014 500319449 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500930941 /nfs/dbraw/zinc/93/09/41/500930941.db2.gz OHBLQZGFFWZVIP-UHFFFAOYSA-N -1 3 368.414 3.468 20 0 FGADHM C[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(F)ccc2Br)C1 ZINC000435207907 500944096 /nfs/dbraw/zinc/94/40/96/500944096.db2.gz OLHULCZMDOTOMY-KOLCDFICSA-N -1 3 350.253 3.445 20 0 FGADHM O=S(=O)([N-][C@@H]1[C@H]2CCc3ccccc3[C@@H]12)c1ccc(F)cc1Cl ZINC000435219985 500945350 /nfs/dbraw/zinc/94/53/50/500945350.db2.gz KBSYXODGADXRSC-IAOVAPTHSA-N -1 3 351.830 3.486 20 0 FGADHM COCCc1nc2cc(NC(=O)c3c[n-]nc3-c3ccncc3)ccc2o1 ZINC000439985059 500962735 /nfs/dbraw/zinc/96/27/35/500962735.db2.gz DPTUYMDNTBTIEX-UHFFFAOYSA-N -1 3 363.377 3.054 20 0 FGADHM COCCc1nc2cc(NC(=O)c3cn[n-]c3-c3ccncc3)ccc2o1 ZINC000439985059 500962737 /nfs/dbraw/zinc/96/27/37/500962737.db2.gz DPTUYMDNTBTIEX-UHFFFAOYSA-N -1 3 363.377 3.054 20 0 FGADHM CC(C)N1CCC[C@@H]([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)C1 ZINC000435424952 500972049 /nfs/dbraw/zinc/97/20/49/500972049.db2.gz XNMJZMQFSAPJQN-LLVKDONJSA-N -1 3 369.289 3.284 20 0 FGADHM CCOc1cc(-c2noc(-c3cccc(C(=O)N(C)C)c3)n2)ccc1[O-] ZINC000445416766 500983433 /nfs/dbraw/zinc/98/34/33/500983433.db2.gz GVJUYMGOQNOBAW-UHFFFAOYSA-N -1 3 353.378 3.210 20 0 FGADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000435591061 500997442 /nfs/dbraw/zinc/99/74/42/500997442.db2.gz CEOYUZFLFJUYRI-WCQYABFASA-N -1 3 361.250 3.433 20 0 FGADHM Cc1ccc(-c2cc(-c3nc(CC(=O)N(C)C4CCCCC4)no3)n[n-]2)o1 ZINC000445553910 501001197 /nfs/dbraw/zinc/00/11/97/501001197.db2.gz ZHSWVUPDWISURA-UHFFFAOYSA-N -1 3 369.425 3.362 20 0 FGADHM Cc1ccc(-c2cc(-c3nc(CC(=O)N(C)C4CCCCC4)no3)[n-]n2)o1 ZINC000445553910 501001203 /nfs/dbraw/zinc/00/12/03/501001203.db2.gz ZHSWVUPDWISURA-UHFFFAOYSA-N -1 3 369.425 3.362 20 0 FGADHM COc1ccc(-c2ncc(C(=O)[N-]c3nnc(C)s3)s2)cc1OC ZINC000435639544 501005918 /nfs/dbraw/zinc/00/59/18/501005918.db2.gz VCWUTJQDIFBVOX-UHFFFAOYSA-N -1 3 362.436 3.240 20 0 FGADHM CC(C)N(C)c1ccccc1C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000445731850 501026098 /nfs/dbraw/zinc/02/60/98/501026098.db2.gz GMQJRFUXGUAWCY-UHFFFAOYSA-N -1 3 354.422 3.288 20 0 FGADHM CC(C)N1CC[C@H]([N-]S(=O)(=O)c2ccco2)[C@H]1c1ccc(F)c(F)c1 ZINC000445740637 501027135 /nfs/dbraw/zinc/02/71/35/501027135.db2.gz HOLYGBKGODWKDR-DOTOQJQBSA-N -1 3 370.421 3.060 20 0 FGADHM CCN(Cc1ccccc1)C(=O)Cc1noc(-c2cc(C)ccc2[O-])n1 ZINC000445779866 501031086 /nfs/dbraw/zinc/03/10/86/501031086.db2.gz GGGQSARGNVQECY-UHFFFAOYSA-N -1 3 351.406 3.342 20 0 FGADHM O=C(Cc1noc(/C=C/c2cccc([O-])c2)n1)NCc1cccc(Cl)c1 ZINC000445830258 501038085 /nfs/dbraw/zinc/03/80/85/501038085.db2.gz SAZIVZMNFDDFBX-BQYQJAHWSA-N -1 3 369.808 3.458 20 0 FGADHM CCc1nc(C(=O)[N-]c2c(C)csc2C(=O)OC)nn1-c1ccccc1 ZINC000445938733 501053478 /nfs/dbraw/zinc/05/34/78/501053478.db2.gz QNLQMFFGXQPLEW-UHFFFAOYSA-N -1 3 370.434 3.239 20 0 FGADHM O=C(CCN1CCN(c2ccccc2)CC1)Nc1cc(Cl)ccc1[O-] ZINC000440945248 501067105 /nfs/dbraw/zinc/06/71/05/501067105.db2.gz AIVDVIMNNDEKAU-UHFFFAOYSA-N -1 3 359.857 3.196 20 0 FGADHM CCCCn1c(=O)[n-]nc1S[C@@H](Cc1c(F)cccc1F)C(C)=O ZINC000436131704 501075440 /nfs/dbraw/zinc/07/54/40/501075440.db2.gz PVUVFIARMWGTDW-AWEZNQCLSA-N -1 3 355.410 3.354 20 0 FGADHM COC(=O)c1cccc(F)c1[N-]C(=O)c1nc(C(C)C)ncc1Cl ZINC000446110387 501076483 /nfs/dbraw/zinc/07/64/83/501076483.db2.gz ZYWMGVLJILITGU-UHFFFAOYSA-N -1 3 351.765 3.431 20 0 FGADHM CCc1ccc(S(=O)(=O)[N-]c2ccc(OC3COC3)cc2)cc1CC ZINC000436170512 501083299 /nfs/dbraw/zinc/08/32/99/501083299.db2.gz BCLACKXJMLRFKA-UHFFFAOYSA-N -1 3 361.463 3.390 20 0 FGADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)N[C@@H]1C[C@@H]1C1CCCCC1 ZINC000607707195 506234621 /nfs/dbraw/zinc/23/46/21/506234621.db2.gz WILBBRZZROFIJF-CZUORRHYSA-N -1 3 354.454 3.250 20 0 FGADHM C[C@@H](c1csnn1)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000450514950 501141510 /nfs/dbraw/zinc/14/15/10/501141510.db2.gz FRXGUYWZNKLRRH-JTQLQIEISA-N -1 3 366.874 3.309 20 0 FGADHM CS[C@@H]1CN(C(=O)c2cc3ccccc3cc2[O-])C[C@@H]1N1CCCC1 ZINC000436536191 501149777 /nfs/dbraw/zinc/14/97/77/501149777.db2.gz PCBYDHNYVMEOOJ-PKOBYXMFSA-N -1 3 356.491 3.197 20 0 FGADHM CCCC[C@@H]1CCC[C@@H]1NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436533373 501150413 /nfs/dbraw/zinc/15/04/13/501150413.db2.gz HYCOZOMIZCZQIE-AEFFLSMTSA-N -1 3 373.497 3.219 20 0 FGADHM C[C@H](F)CCNC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436539943 501151993 /nfs/dbraw/zinc/15/19/93/501151993.db2.gz WZYPOCZLRSEPED-KSSFIOAISA-N -1 3 358.413 3.118 20 0 FGADHM O=C(Nc1ccnc2ccnn21)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436544469 501152437 /nfs/dbraw/zinc/15/24/37/501152437.db2.gz JUKGLSDBMOXJPL-UHFFFAOYSA-N -1 3 360.373 3.266 20 0 FGADHM CN(CCN(C)c1ccccc1)C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436555697 501156152 /nfs/dbraw/zinc/15/61/52/501156152.db2.gz NELXRFJCOXSKBC-UHFFFAOYSA-N -1 3 354.450 3.314 20 0 FGADHM COc1ccc(C(=O)N(C)C)cc1NC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436562301 501157922 /nfs/dbraw/zinc/15/79/22/501157922.db2.gz ISKMSVTWNNGLNS-UHFFFAOYSA-N -1 3 368.433 3.234 20 0 FGADHM O=C(c1cc2c(cc1[O-])CCCC2)N(C[C@@H]1CCCO1)[C@H]1CCSC1 ZINC000436563863 501158237 /nfs/dbraw/zinc/15/82/37/501158237.db2.gz FMHKLTPULBSBQG-IRXDYDNUSA-N -1 3 361.507 3.398 20 0 FGADHM CC(C)(C)NC(=O)CCNC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436567139 501158656 /nfs/dbraw/zinc/15/86/56/501158656.db2.gz YCJSNXRVIVSCOD-UHFFFAOYSA-N -1 3 370.449 3.006 20 0 FGADHM COc1cc(C)cc(C(=O)Nc2ccccc2NC(=O)NC(C)C)c1[O-] ZINC000436565871 501158902 /nfs/dbraw/zinc/15/89/02/501158902.db2.gz SCQKJKAEWVFCOL-UHFFFAOYSA-N -1 3 357.410 3.491 20 0 FGADHM CCCN1CCN(C(=O)c2cc(OCc3ccccc3)ccc2[O-])CC1 ZINC000436569976 501159362 /nfs/dbraw/zinc/15/93/62/501159362.db2.gz KWUKGUWDPXKFGK-UHFFFAOYSA-N -1 3 354.450 3.139 20 0 FGADHM CC(C)c1ccc(C(=O)N2CCN(Cc3cccc(O)c3)CC2)c([O-])c1 ZINC000436575538 501160148 /nfs/dbraw/zinc/16/01/48/501160148.db2.gz IVPCGCQSBFEFKD-UHFFFAOYSA-N -1 3 354.450 3.179 20 0 FGADHM CCc1cc([N-]S(=O)(=O)Cc2c(F)cccc2F)c2ccccc2n1 ZINC000446750204 501160977 /nfs/dbraw/zinc/16/09/77/501160977.db2.gz FVTJOMFPMVMIJH-UHFFFAOYSA-N -1 3 362.401 3.439 20 0 FGADHM COC(=O)c1c(CC(C)C)csc1[N-]C(=O)C(=O)N(C)[C@H](C)C(C)C ZINC000441650270 501161243 /nfs/dbraw/zinc/16/12/43/501161243.db2.gz XXGKMWPOVXNSJB-GFCCVEGCSA-N -1 3 368.499 3.175 20 0 FGADHM COc1ccc(C(=O)N[C@H](C)c2ccc(-n3ccnc3C)cc2)c([O-])c1 ZINC000436582205 501162568 /nfs/dbraw/zinc/16/25/68/501162568.db2.gz HOXQHYRJJDHBNY-CYBMUJFWSA-N -1 3 351.406 3.386 20 0 FGADHM CC(=O)c1ccc(C(=O)Nc2ccc(OCc3nccn3C)cc2)cc1[O-] ZINC000436598357 501166469 /nfs/dbraw/zinc/16/64/69/501166469.db2.gz YSMUSEYODLCPMK-UHFFFAOYSA-N -1 3 365.389 3.160 20 0 FGADHM COc1ccc(C(=O)N[C@@H](C)Cc2cc(C)nn2-c2ccccc2)c([O-])c1 ZINC000436601236 501167551 /nfs/dbraw/zinc/16/75/51/501167551.db2.gz IVVYVYCYONJFNO-AWEZNQCLSA-N -1 3 365.433 3.256 20 0 FGADHM COC(=O)C[C@H](NC(=O)c1ccccc1[O-])c1ccc(Cl)c(F)c1 ZINC000436604763 501168619 /nfs/dbraw/zinc/16/86/19/501168619.db2.gz OLEWEPDBYRLPJR-AWEZNQCLSA-N -1 3 351.761 3.219 20 0 FGADHM [O-]c1ccc(-c2noc(CSc3nnnn3C3CC3)n2)c2ccccc12 ZINC000436608974 501169387 /nfs/dbraw/zinc/16/93/87/501169387.db2.gz HQNLYRXFVZKJPQ-UHFFFAOYSA-N -1 3 366.406 3.209 20 0 FGADHM Cc1cccc(C(=O)NC[C@H](CO)Cc2ccccc2C(F)(F)F)c1[O-] ZINC000436611953 501169771 /nfs/dbraw/zinc/16/97/71/501169771.db2.gz ZSWJCJVCNBMIKV-CYBMUJFWSA-N -1 3 367.367 3.300 20 0 FGADHM CC[C@H](C)NC(=O)[C@@H](C)NC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436612199 501170140 /nfs/dbraw/zinc/17/01/40/501170140.db2.gz LYELBFKIYPPWNJ-JKSUJKDBSA-N -1 3 368.477 3.210 20 0 FGADHM CC(C)OCc1nc([C@@H](C)NC(=O)c2cc3c(cc2[O-])CCCC3)no1 ZINC000436613538 501170228 /nfs/dbraw/zinc/17/02/28/501170228.db2.gz WALOTFLAITUGOB-GFCCVEGCSA-N -1 3 359.426 3.070 20 0 FGADHM CC(C)c1ccc(-n2cc([O-])c(C(=O)N[C@H]3C[C@@H](C)N(C4CC4)C3)n2)cc1 ZINC000441773038 501170520 /nfs/dbraw/zinc/17/05/20/501170520.db2.gz DQSVATHNPMTGGW-ZBFHGGJFSA-N -1 3 368.481 3.056 20 0 FGADHM C[C@H](CNC(=O)c1cc(CCc2ccccc2)ccc1[O-])Cn1cccn1 ZINC000436623460 501171953 /nfs/dbraw/zinc/17/19/53/501171953.db2.gz ZLBYFDALBNEXOZ-QGZVFWFLSA-N -1 3 363.461 3.440 20 0 FGADHM CC(=O)Nc1sc(NC(=O)c2c([O-])cccc2O)nc1-c1ccccc1 ZINC000436624710 501172173 /nfs/dbraw/zinc/17/21/73/501172173.db2.gz KUUVPLFRJINNEN-UHFFFAOYSA-N -1 3 369.402 3.432 20 0 FGADHM CCc1ccc(-c2noc([C@@H](C)NC(=O)c3ccc(O)cc3[O-])n2)cc1 ZINC000436629779 501174043 /nfs/dbraw/zinc/17/40/43/501174043.db2.gz KUZVRTADRHNCSJ-LLVKDONJSA-N -1 3 353.378 3.201 20 0 FGADHM CCS[C@@H]1CCC[C@H](NC(=O)CCNC(=O)c2ccc(C)cc2[O-])C1 ZINC000436641364 501176018 /nfs/dbraw/zinc/17/60/18/501176018.db2.gz VBKQNEFWDGIVCP-LSDHHAIUSA-N -1 3 364.511 3.001 20 0 FGADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CC[C@@H](n2cccn2)C1 ZINC000436651036 501179524 /nfs/dbraw/zinc/17/95/24/501179524.db2.gz CSQPQLCQSYPHSZ-LJQANCHMSA-N -1 3 361.445 3.461 20 0 FGADHM Cc1ccc(C(=O)N2CCC[C@](CO)(Cc3ccccc3)C2)c([O-])c1C ZINC000436651709 501179647 /nfs/dbraw/zinc/17/96/47/501179647.db2.gz HEMNOPNXLLARRO-QFIPXVFZSA-N -1 3 353.462 3.466 20 0 FGADHM CC1CCN(Cc2cccc(CNC(=O)C(=O)c3ccc([O-])cc3)c2)CC1 ZINC000436664797 501182270 /nfs/dbraw/zinc/18/22/70/501182270.db2.gz KUQZWTDSYOJDMH-UHFFFAOYSA-N -1 3 366.461 3.123 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N[C@H]2CCc3c2cccc3Cl)c([O-])c1 ZINC000436664068 501182307 /nfs/dbraw/zinc/18/23/07/501182307.db2.gz NYKRMMHWOPINHS-KRWDZBQOSA-N -1 3 372.852 3.278 20 0 FGADHM CCO[C@@H]1C[C@H](NC(=O)c2cc(OC)c([O-])c(OC)c2)C12CCCCC2 ZINC000436667050 501182980 /nfs/dbraw/zinc/18/29/80/501182980.db2.gz WLGHYIDRNXEGKV-DLBZAZTESA-N -1 3 363.454 3.267 20 0 FGADHM O=C(Nc1ccc(OCc2noc(C3CC3)n2)cc1)c1c([O-])cccc1O ZINC000436668952 501183099 /nfs/dbraw/zinc/18/30/99/501183099.db2.gz GFLISXHODDUENQ-UHFFFAOYSA-N -1 3 367.361 3.190 20 0 FGADHM CC(=O)c1ccc(C(=O)N[C@H]2CCN(C)[C@H]2c2ccc(F)c(F)c2)cc1[O-] ZINC000436667473 501183606 /nfs/dbraw/zinc/18/36/06/501183606.db2.gz YNAQEQNODFRYGD-HKUYNNGSSA-N -1 3 374.387 3.048 20 0 FGADHM CC1CCN([C@@H](CNC(=O)c2c([O-])cccc2O)c2cccs2)CC1 ZINC000436673346 501184776 /nfs/dbraw/zinc/18/47/76/501184776.db2.gz JARFIHFEQDSHFQ-AWEZNQCLSA-N -1 3 360.479 3.362 20 0 FGADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)c1cccc(C(F)F)c1 ZINC000436677547 501185879 /nfs/dbraw/zinc/18/58/79/501185879.db2.gz XKMCJPZROKHUMQ-UHFFFAOYSA-N -1 3 374.387 3.364 20 0 FGADHM CCC[C@H]1CCc2nc(NC(=O)NCc3cnc(C)[n-]c3=O)sc2C1 ZINC000441935176 501186319 /nfs/dbraw/zinc/18/63/19/501186319.db2.gz RCFPJORZQFIAJI-NSHDSACASA-N -1 3 361.471 3.174 20 0 FGADHM CC1(C)Cc2ccc(C(=O)N[C@@H]3CCN(Cc4ccccc4)C3)c([O-])c2O1 ZINC000436683884 501187590 /nfs/dbraw/zinc/18/75/90/501187590.db2.gz VZDYEOINSHWQKB-QGZVFWFLSA-N -1 3 366.461 3.110 20 0 FGADHM CCOc1c(OC)cc(CNC(=O)c2ccc([O-])c(CC)c2)cc1OC ZINC000436691259 501189826 /nfs/dbraw/zinc/18/98/26/501189826.db2.gz XNVKDJUUYPYVGE-UHFFFAOYSA-N -1 3 359.422 3.301 20 0 FGADHM CCOc1ccc(CNC(=O)c2cc(OC)c([O-])c(OC)c2)cc1Cl ZINC000436696721 501190894 /nfs/dbraw/zinc/19/08/94/501190894.db2.gz QOKYPTHRZNEWIP-UHFFFAOYSA-N -1 3 365.813 3.392 20 0 FGADHM C[C@@H]1CC[C@@H]1NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436715252 501195242 /nfs/dbraw/zinc/19/52/42/501195242.db2.gz XAHOUBYRAURHCK-CCKFTAQKSA-N -1 3 352.434 3.168 20 0 FGADHM CCc1ccc(C(=O)N2CCN(c3ccc(F)c(OC)c3)CC2)c([O-])c1 ZINC000436722532 501197251 /nfs/dbraw/zinc/19/72/51/501197251.db2.gz NYSCAPSRTQYIQQ-UHFFFAOYSA-N -1 3 358.413 3.065 20 0 FGADHM Cc1cccc(C(=O)Nc2cc(C(N)=O)ccc2N2CCCCC2)c1[O-] ZINC000436727013 501198153 /nfs/dbraw/zinc/19/81/53/501198153.db2.gz ZZBISRZIGJACNO-UHFFFAOYSA-N -1 3 353.422 3.042 20 0 FGADHM CS[C@@H]1CN(C(=O)c2cc(Cl)c3ccccc3c2[O-])C[C@H]1N(C)C ZINC000436729491 501199047 /nfs/dbraw/zinc/19/90/47/501199047.db2.gz BCNOMQCTAALRMY-HZPDHXFCSA-N -1 3 364.898 3.316 20 0 FGADHM Cc1ccc([O-])c(C(=O)N[C@@H](C)c2cc(F)ccc2N2CCN(C)CC2)c1 ZINC000436731285 501199469 /nfs/dbraw/zinc/19/94/69/501199469.db2.gz CFFBERYGPOYMMW-HNNXBMFYSA-N -1 3 371.456 3.083 20 0 FGADHM COC(=O)c1cccc(NC(=O)c2cc(OC)ccc2[O-])c1OC(C)C ZINC000436734784 501199968 /nfs/dbraw/zinc/19/99/68/501199968.db2.gz CTNBDFHEOYUXGQ-UHFFFAOYSA-N -1 3 359.378 3.227 20 0 FGADHM O=C(NC[C@H](CO)c1cccnc1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436734961 501201006 /nfs/dbraw/zinc/20/10/06/501201006.db2.gz BUMUOBSFPASCGH-MRXNPFEDSA-N -1 3 364.401 3.085 20 0 FGADHM Cc1ccc(NC(=O)NCCNC(=O)c2ccc([O-])cc2)cc1OC(C)C ZINC000436743313 501202482 /nfs/dbraw/zinc/20/24/82/501202482.db2.gz ZYPVIIYPGWZGGQ-UHFFFAOYSA-N -1 3 371.437 3.039 20 0 FGADHM COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(C)c(C)c1[O-] ZINC000436754967 501204820 /nfs/dbraw/zinc/20/48/20/501204820.db2.gz JSEXPIGLLGRRTI-GOSISDBHSA-N -1 3 366.417 3.004 20 0 FGADHM CSCC[C@H](NC(=O)c1ccc(C)c(C)c1[O-])c1nnc2ccccn21 ZINC000436758467 501205669 /nfs/dbraw/zinc/20/56/69/501205669.db2.gz YHJXOMDWMZIJBZ-HNNXBMFYSA-N -1 3 370.478 3.276 20 0 FGADHM COc1cccc([C@H](CNC(=O)c2cc(F)ccc2[O-])N2CCCC2)c1 ZINC000436757932 501205954 /nfs/dbraw/zinc/20/59/54/501205954.db2.gz WQHDTAORWZNXBT-SFHVURJKSA-N -1 3 358.413 3.107 20 0 FGADHM COc1ccc(CNC(=O)c2ccc(O)cc2[O-])cc1OC1CCCC1 ZINC000436776971 501209954 /nfs/dbraw/zinc/20/99/54/501209954.db2.gz BBIQBJLLGFHZAN-UHFFFAOYSA-N -1 3 357.406 3.358 20 0 FGADHM COc1cc(-c2noc(C[C@H]3Sc4ccccc4NC3=O)n2)ccc1[O-] ZINC000436787868 501211424 /nfs/dbraw/zinc/21/14/24/501211424.db2.gz ZIZIFCKEWMVZTB-OAHLLOKOSA-N -1 3 369.402 3.106 20 0 FGADHM CCc1nn(-c2ccccc2)c(CC)c1CNC(=O)c1ccc(O)cc1[O-] ZINC000436796798 501212864 /nfs/dbraw/zinc/21/28/64/501212864.db2.gz CGRUFUWRNDVATN-UHFFFAOYSA-N -1 3 365.433 3.338 20 0 FGADHM O=C1[N-][C@@](c2ccccc2)(C(F)(F)F)C(=O)N1C[C@H]1CCCC1(F)F ZINC000450816824 501213316 /nfs/dbraw/zinc/21/33/16/501213316.db2.gz BYRNUKQAWYMJMD-IAQYHMDHSA-N -1 3 362.298 3.431 20 0 FGADHM Cc1[nH]nc2nc(C)cc(C(=O)Nc3cc(Br)ccc3[O-])c12 ZINC000436800665 501213549 /nfs/dbraw/zinc/21/35/49/501213549.db2.gz WYVQEFVDOROLRQ-UHFFFAOYSA-N -1 3 361.199 3.295 20 0 FGADHM O=C(c1ccc([O-])cc1)N1CCN(c2nccc3ccc(F)cc32)CC1 ZINC000436807140 501214496 /nfs/dbraw/zinc/21/44/96/501214496.db2.gz KEVAPFCIBHNWPV-UHFFFAOYSA-N -1 3 351.381 3.042 20 0 FGADHM CCOC(=O)[C@H]1CCCN1C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436820535 501216505 /nfs/dbraw/zinc/21/65/05/501216505.db2.gz RSABOWQMNIOSJX-QGZVFWFLSA-N -1 3 355.390 3.352 20 0 FGADHM CN(Cc1ccc(Br)c(F)c1)C(=O)c1c([O-])cccc1O ZINC000436823799 501217068 /nfs/dbraw/zinc/21/70/68/501217068.db2.gz XEHVLKXPXXFWQY-UHFFFAOYSA-N -1 3 354.175 3.272 20 0 FGADHM COc1cccc(C(=O)NCc2ccncc2OCc2ccccc2)c1[O-] ZINC000436827637 501217713 /nfs/dbraw/zinc/21/77/13/501217713.db2.gz UYKTYGJQSYHBFL-UHFFFAOYSA-N -1 3 364.401 3.305 20 0 FGADHM CN(C(=O)c1cc(OCc2ccccc2)ccc1[O-])[C@@H]1CCCC[C@H]1O ZINC000436830639 501217932 /nfs/dbraw/zinc/21/79/32/501217932.db2.gz DFZHQWZGTPNPMM-UYAOXDASSA-N -1 3 355.434 3.347 20 0 FGADHM COC(=O)[C@@]1(c2ccccc2)CCN(C(=O)c2ccc(C(C)C)cc2[O-])C1 ZINC000436855896 501221845 /nfs/dbraw/zinc/22/18/45/501221845.db2.gz KYECNZUWIHZWKG-QFIPXVFZSA-N -1 3 367.445 3.473 20 0 FGADHM COc1cc(C)c(CN(C)C(=O)c2ccc(C(C)=O)c([O-])c2)cc1OC ZINC000436864740 501223610 /nfs/dbraw/zinc/22/36/10/501223610.db2.gz OYCLEIFUJWMJCY-UHFFFAOYSA-N -1 3 357.406 3.193 20 0 FGADHM COC(=O)[C@H]1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])[C@@H]1C ZINC000436866438 501223827 /nfs/dbraw/zinc/22/38/27/501223827.db2.gz XQFPHEMLBFUZQX-PBHICJAKSA-N -1 3 353.418 3.007 20 0 FGADHM CCOc1cc(-c2noc(-c3cnc(C(F)(F)F)nc3)n2)ccc1[O-] ZINC000436869027 501224440 /nfs/dbraw/zinc/22/44/40/501224440.db2.gz BZNXUBQSPHDTDF-UHFFFAOYSA-N -1 3 352.272 3.317 20 0 FGADHM CCOc1cc(-c2noc(-c3cc(C(=O)OC)c(CC)o3)n2)ccc1[O-] ZINC000436869484 501224695 /nfs/dbraw/zinc/22/46/95/501224695.db2.gz DMDVSTWDVKJKNB-UHFFFAOYSA-N -1 3 358.350 3.450 20 0 FGADHM CCOc1cc(-c2noc(-c3cn(C)c(=O)c4ccccc34)n2)ccc1[O-] ZINC000436876953 501226245 /nfs/dbraw/zinc/22/62/45/501226245.db2.gz LQMXRFRRBQXYPP-UHFFFAOYSA-N -1 3 363.373 3.360 20 0 FGADHM CCN(CC)S(=O)(=O)c1ccc(-c2noc(-c3ccccc3[O-])n2)cc1 ZINC000436886431 501227282 /nfs/dbraw/zinc/22/72/82/501227282.db2.gz KTVSMUBTKBCASJ-UHFFFAOYSA-N -1 3 373.434 3.140 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N[C@@H]2CCCc3ccc(F)cc32)c([O-])c1 ZINC000436890578 501227618 /nfs/dbraw/zinc/22/76/18/501227618.db2.gz FRTFWMXAUNWPJI-GOSISDBHSA-N -1 3 370.424 3.153 20 0 FGADHM COc1ccc(C(=O)CCc2nc(-c3ccc([O-])c(OC)c3)no2)cc1F ZINC000436891682 501228792 /nfs/dbraw/zinc/22/87/92/501228792.db2.gz YGZLHSYOVYIYRE-UHFFFAOYSA-N -1 3 372.352 3.414 20 0 FGADHM Cc1ccc([O-])c(C(=O)N[C@H]2CCCN([C@H](C)c3ccccc3F)C2=O)c1 ZINC000436907365 501230567 /nfs/dbraw/zinc/23/05/67/501230567.db2.gz YEOBVBXPOKJJBA-KDOFPFPSSA-N -1 3 370.424 3.322 20 0 FGADHM CC[C@H](CO)N1CCN(C(=O)c2cc(C(C)C)cc(C(C)C)c2[O-])CC1 ZINC000436909619 501230909 /nfs/dbraw/zinc/23/09/09/501230909.db2.gz PGVPYILYWGXCRD-QGZVFWFLSA-N -1 3 362.514 3.168 20 0 FGADHM O=C(c1ccccc1[O-])N1CCN(Cc2cscc2C(F)(F)F)CC1 ZINC000436907593 501230956 /nfs/dbraw/zinc/23/09/56/501230956.db2.gz FOWBLDPWQXXBGJ-UHFFFAOYSA-N -1 3 370.396 3.431 20 0 FGADHM CCc1ccc([O-])c(C(=O)Nc2cccc(N3C(=O)N[C@H](CC)C3=O)c2)c1 ZINC000436915512 501231778 /nfs/dbraw/zinc/23/17/78/501231778.db2.gz QZOIOIHIGUOGNT-MRXNPFEDSA-N -1 3 367.405 3.042 20 0 FGADHM Cc1csc(S(=O)(=O)[N-][C@@H](CN2CCCC2)c2ccccc2)c1 ZINC000451028437 501240362 /nfs/dbraw/zinc/24/03/62/501240362.db2.gz YXMHPMGSDSRGHC-INIZCTEOSA-N -1 3 350.509 3.172 20 0 FGADHM O=S(=O)(CCCCF)[N-]c1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000451027426 501240383 /nfs/dbraw/zinc/24/03/83/501240383.db2.gz WISNUYKYMAWZOH-UHFFFAOYSA-N -1 3 365.352 3.383 20 0 FGADHM CCN(CC)[C@H](C[N-]S(=O)(=O)c1sccc1Cl)c1ccco1 ZINC000451129848 501247338 /nfs/dbraw/zinc/24/73/38/501247338.db2.gz JPUSVQOWAMVTLI-GFCCVEGCSA-N -1 3 362.904 3.356 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)c1ccc(NC(=O)C(C)C)cc1)c1nccs1 ZINC000451214647 501252641 /nfs/dbraw/zinc/25/26/41/501252641.db2.gz DIYLIRIZJCJZHQ-AWEZNQCLSA-N -1 3 367.496 3.167 20 0 FGADHM COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)CCc1ccc2ccccc2c1[O-] ZINC000451262879 501256029 /nfs/dbraw/zinc/25/60/29/501256029.db2.gz PSIBFMOBNUXDDX-HLIPFELVSA-N -1 3 367.445 3.278 20 0 FGADHM CCCOC1(C[N-]S(=O)(=O)C[C@@H]2CCCC2(F)F)CCCCC1 ZINC000451281538 501257111 /nfs/dbraw/zinc/25/71/11/501257111.db2.gz AYVATKFIGJRBAB-AWEZNQCLSA-N -1 3 353.475 3.471 20 0 FGADHM CCOc1ccncc1S(=O)(=O)[N-]C[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000451302665 501260470 /nfs/dbraw/zinc/26/04/70/501260470.db2.gz KYULWKSFRCZRJW-NWDGAFQWSA-N -1 3 366.405 3.127 20 0 FGADHM COc1ccc2c(c1)[n-]cc(C(=O)NCCc1csc(C(C)C)n1)c2=O ZINC000588228589 506242834 /nfs/dbraw/zinc/24/28/34/506242834.db2.gz HUCGGDRDIBVEQB-UHFFFAOYSA-N -1 3 371.462 3.089 20 0 FGADHM CCOc1ccncc1S(=O)(=O)[N-]Cc1cc(Cl)sc1Cl ZINC000451365983 501276565 /nfs/dbraw/zinc/27/65/65/501276565.db2.gz GBKQOSHXUNRXHX-UHFFFAOYSA-N -1 3 367.279 3.327 20 0 FGADHM CC[C@@H](C)Oc1cc(C[N-]S(=O)(=O)c2sccc2Cl)ccn1 ZINC000451369992 501277153 /nfs/dbraw/zinc/27/71/53/501277153.db2.gz BBQVQGCGRPMBAX-SNVBAGLBSA-N -1 3 360.888 3.452 20 0 FGADHM COCCO[C@@H]1CCCN(C(=O)CCc2ccc3ccccc3c2[O-])C1 ZINC000451499728 501307131 /nfs/dbraw/zinc/30/71/31/501307131.db2.gz OFSRBLGNWKIWGA-GOSISDBHSA-N -1 3 357.450 3.132 20 0 FGADHM CC[C@@]1(C[N-]S(=O)(=O)C[C@@H]2CCCC2(F)F)OCCc2ccccc21 ZINC000451568476 501326492 /nfs/dbraw/zinc/32/64/92/501326492.db2.gz RDIIXKIYROMRCY-RDJZCZTQSA-N -1 3 373.465 3.219 20 0 FGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@H]1CCCc2c(F)cccc21 ZINC000451589002 501331177 /nfs/dbraw/zinc/33/11/77/501331177.db2.gz HJSSBCIVIALCGJ-ZDUSSCGKSA-N -1 3 369.439 3.030 20 0 FGADHM CCOc1nc2cc(C(=O)N[C@@H](C)CCCc3cccnc3)ccc2[n-]1 ZINC000457957713 501344427 /nfs/dbraw/zinc/34/44/27/501344427.db2.gz ZCEQUPVULZRTEV-AWEZNQCLSA-N -1 3 352.438 3.498 20 0 FGADHM CCOc1nc2ccc(C(=O)N[C@@H](C)CCCc3cccnc3)cc2[n-]1 ZINC000457957713 501344429 /nfs/dbraw/zinc/34/44/29/501344429.db2.gz ZCEQUPVULZRTEV-AWEZNQCLSA-N -1 3 352.438 3.498 20 0 FGADHM CC(C)(CO)CC[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000451685045 501350112 /nfs/dbraw/zinc/35/01/12/501350112.db2.gz KMHFKJFGQLMGJN-UHFFFAOYSA-N -1 3 359.797 3.046 20 0 FGADHM CCn1cnc(S(=O)(=O)[N-][C@H](c2ccc(F)c(Cl)c2)C2CC2)c1 ZINC000451763555 501367943 /nfs/dbraw/zinc/36/79/43/501367943.db2.gz ZKWNBYBCNBTTHD-HNNXBMFYSA-N -1 3 357.838 3.125 20 0 FGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H]1CCO[C@@H](C(C)C)C1 ZINC000451815075 501378258 /nfs/dbraw/zinc/37/82/58/501378258.db2.gz HHDYHJXUDLTFGG-SWLSCSKDSA-N -1 3 361.891 3.078 20 0 FGADHM CO[C@@](C)(C[N-]S(=O)(=O)Cc1ccc(C)cc1F)c1ccccc1 ZINC000451824335 501380955 /nfs/dbraw/zinc/38/09/55/501380955.db2.gz LWYMENJYKOLEMX-SFHVURJKSA-N -1 3 351.443 3.115 20 0 FGADHM CCc1nc(NC(=O)CNC(=O)c2cccc([O-])c2)sc1C(C)(C)C ZINC000458270054 501408070 /nfs/dbraw/zinc/40/80/70/501408070.db2.gz IAPDLXRROBOLQT-UHFFFAOYSA-N -1 3 361.467 3.077 20 0 FGADHM CCCc1ncc(C[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2C)o1 ZINC000451959258 501408214 /nfs/dbraw/zinc/40/82/14/501408214.db2.gz MQLCBPMKICIKQN-UHFFFAOYSA-N -1 3 362.373 3.433 20 0 FGADHM CCn1cc([C@@H](C)[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)cn1 ZINC000452005067 501417060 /nfs/dbraw/zinc/41/70/60/501417060.db2.gz LPJUQXPAGDOZLA-SECBINFHSA-N -1 3 365.352 3.100 20 0 FGADHM COC(=O)[C@@H]1CN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])C[C@H]1C ZINC000592808553 506252382 /nfs/dbraw/zinc/25/23/82/506252382.db2.gz BTIXRCCNZCPVKS-DNVCBOLYSA-N -1 3 367.445 3.059 20 0 FGADHM O=S(=O)(Cc1ccccc1F)[N-][C@@H](c1cccs1)C1(CO)CCC1 ZINC000452092110 501433566 /nfs/dbraw/zinc/43/35/66/501433566.db2.gz SGNYFOFYLSTKEG-INIZCTEOSA-N -1 3 369.483 3.211 20 0 FGADHM CC/C=C/CNC(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000456091712 501452748 /nfs/dbraw/zinc/45/27/48/501452748.db2.gz GSTKFVADPJMFIL-SNAWJCMRSA-N -1 3 359.451 3.034 20 0 FGADHM COc1cc(OC)c(C[C@@H](C)NC(=O)c2ccc([O-])c(C)c2)c(OC)c1 ZINC000456112123 501457339 /nfs/dbraw/zinc/45/73/39/501457339.db2.gz UUXCWIVKOIUMAY-CYBMUJFWSA-N -1 3 359.422 3.087 20 0 FGADHM C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000454277195 501499646 /nfs/dbraw/zinc/49/96/46/501499646.db2.gz PLOQGKCRGDQQRR-PBFPGSCMSA-N -1 3 363.417 3.369 20 0 FGADHM CCO[C@H]1CCN(C(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)C[C@@H]1C ZINC000454324284 501513842 /nfs/dbraw/zinc/51/38/42/501513842.db2.gz VMAXTGCBZGJCOL-UGSOOPFHSA-N -1 3 370.453 3.436 20 0 FGADHM CO[C@@H]1C[C@@H](N(C)C(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)C12CCC2 ZINC000456640225 501564338 /nfs/dbraw/zinc/56/43/38/501564338.db2.gz ODFVHQVPTAKPTN-HZPDHXFCSA-N -1 3 358.413 3.005 20 0 FGADHM CCC[C@@H]1CCCC[C@H]1CNC(=O)c1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000456863662 501611836 /nfs/dbraw/zinc/61/18/36/501611836.db2.gz RMNIXPAVMNOKID-ZJTDPSCFSA-N -1 3 371.481 3.078 20 0 FGADHM CCOC(=O)Cc1cnc([N-]C(=O)c2cc(C(CC)CC)no2)s1 ZINC000456885282 501614925 /nfs/dbraw/zinc/61/49/25/501614925.db2.gz MHLVGSQHQXKVOD-UHFFFAOYSA-N -1 3 351.428 3.393 20 0 FGADHM CC(C)(C)C(=O)N[C@@H]1CCCN(Cc2cccc([O-])c2Br)C1 ZINC000459340092 501634884 /nfs/dbraw/zinc/63/48/84/501634884.db2.gz OTQSPXFXIAFGLP-CYBMUJFWSA-N -1 3 369.303 3.281 20 0 FGADHM CC(C)c1nc2c(n1C)CCN(Cc1cc(=O)[n-]c(-c3ccccc3)n1)C2 ZINC000459353211 501637820 /nfs/dbraw/zinc/63/78/20/501637820.db2.gz RCBLOEUNTFPJEW-UHFFFAOYSA-N -1 3 363.465 3.264 20 0 FGADHM CC(C)(C)N(CC(=O)Nc1ccc(F)cc1)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000459367255 501640150 /nfs/dbraw/zinc/64/01/50/501640150.db2.gz OEVFNRDAJFFONW-UHFFFAOYSA-N -1 3 372.444 3.438 20 0 FGADHM C[C@@](Cc1ccccc1)(NC(=O)c1ccc([N-]S(C)(=O)=O)cc1)C1CC1 ZINC000457050789 501640805 /nfs/dbraw/zinc/64/08/05/501640805.db2.gz RQMYIRRZCNDXLL-FQEVSTJZSA-N -1 3 372.490 3.199 20 0 FGADHM CCOc1cc(CN2CC(=O)N(Cc3ccccc3)C2)cc(Cl)c1[O-] ZINC000459372554 501641487 /nfs/dbraw/zinc/64/14/87/501641487.db2.gz ZBJQZSOEBUGQHH-UHFFFAOYSA-N -1 3 360.841 3.246 20 0 FGADHM O=c1cc(CN2CCCC[C@H]2[C@@H](O)C(F)(F)F)nc(-c2ccccc2)[n-]1 ZINC000459378312 501642327 /nfs/dbraw/zinc/64/23/27/501642327.db2.gz QQHMOSUSTUQNKZ-GOEBONIOSA-N -1 3 367.371 3.127 20 0 FGADHM CN(C(=O)c1c(F)ccc([O-])c1F)C1CCN(CCC(F)(F)F)CC1 ZINC000457075043 501645565 /nfs/dbraw/zinc/64/55/65/501645565.db2.gz VTTFDXNULIBZCI-UHFFFAOYSA-N -1 3 366.330 3.159 20 0 FGADHM CC(C)N(C(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)C1CC(C)(C)C1 ZINC000457083430 501646948 /nfs/dbraw/zinc/64/69/48/501646948.db2.gz YQLVLKWVTRQUJS-UHFFFAOYSA-N -1 3 356.463 3.236 20 0 FGADHM O=c1cc(CN2CC[C@]3(C2)OCc2ccccc23)nc(-c2ccccc2)[n-]1 ZINC000459408132 501648375 /nfs/dbraw/zinc/64/83/75/501648375.db2.gz MOEAICQCLSBSLO-JOCHJYFZSA-N -1 3 359.429 3.481 20 0 FGADHM [O-]c1cccc(CNCc2nccn2CC(F)(F)F)c1Br ZINC000459412322 501649618 /nfs/dbraw/zinc/64/96/18/501649618.db2.gz VILXCNDTRYSSCK-UHFFFAOYSA-N -1 3 364.165 3.203 20 0 FGADHM [O-]c1cccc(CNCCN2CCc3sccc3C2)c1Br ZINC000459477681 501660196 /nfs/dbraw/zinc/66/01/96/501660196.db2.gz SGSQTCCDQOFFFJ-UHFFFAOYSA-N -1 3 367.312 3.364 20 0 FGADHM CC(=O)NC1CCC(N(C)Cc2cccc([O-])c2Br)CC1 ZINC000459481201 501661250 /nfs/dbraw/zinc/66/12/50/501661250.db2.gz MYFBREUDDKQEHI-UHFFFAOYSA-N -1 3 355.276 3.034 20 0 FGADHM CCOc1nc2cc(C(=O)N3CC[C@@](C)(C(=O)OC(C)(C)C)C3)ccc2[n-]1 ZINC000457225811 501668155 /nfs/dbraw/zinc/66/81/55/501668155.db2.gz FCZMXBHOLDSHIS-HXUWFJFHSA-N -1 3 373.453 3.156 20 0 FGADHM CCOc1nc2ccc(C(=O)N3CC[C@@](C)(C(=O)OC(C)(C)C)C3)cc2[n-]1 ZINC000457225811 501668158 /nfs/dbraw/zinc/66/81/58/501668158.db2.gz FCZMXBHOLDSHIS-HXUWFJFHSA-N -1 3 373.453 3.156 20 0 FGADHM CN(C(=O)N=c1cc2ccc(Br)cn2[n-]1)C1CC(C)(C)C1 ZINC000459518746 501668224 /nfs/dbraw/zinc/66/82/24/501668224.db2.gz DWXXQIBTYIJZQB-UHFFFAOYSA-N -1 3 351.248 3.171 20 0 FGADHM O=c1cc(CN[C@H](c2ccccc2)C2(CO)CCCC2)nc(C2CC2)[n-]1 ZINC000459542720 501673132 /nfs/dbraw/zinc/67/31/32/501673132.db2.gz LQXQOAMKLKAOGM-LJQANCHMSA-N -1 3 353.466 3.443 20 0 FGADHM CCOc1cc(CN2CC[C@@H](OC)[C@H](C)C2)cc(Br)c1[O-] ZINC000459577862 501680275 /nfs/dbraw/zinc/68/02/75/501680275.db2.gz MFINRTAMDDGIMH-BXUZGUMPSA-N -1 3 358.276 3.410 20 0 FGADHM CON1CCC(N(C)C(=O)c2cc(OCc3ccccc3)ccc2[O-])CC1 ZINC000457317500 501680889 /nfs/dbraw/zinc/68/08/89/501680889.db2.gz ZQRMZDQRDHJUDN-UHFFFAOYSA-N -1 3 370.449 3.069 20 0 FGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C2CC(C(C)(C)C)C2)cc1OC ZINC000457485129 501707733 /nfs/dbraw/zinc/70/77/33/501707733.db2.gz SCNKOJXSGVRAMM-UHFFFAOYSA-N -1 3 368.499 3.468 20 0 FGADHM O=C(COc1ccc(F)cc1)Nc1nnc(-c2cc3ccccc3o2)[n-]1 ZINC000485128102 501730722 /nfs/dbraw/zinc/73/07/22/501730722.db2.gz WQKMAMCFCJZYLI-UHFFFAOYSA-N -1 3 352.325 3.375 20 0 FGADHM O=C(COc1ccc(F)cc1)Nc1nc(-c2cc3ccccc3o2)n[n-]1 ZINC000485128102 501730727 /nfs/dbraw/zinc/73/07/27/501730727.db2.gz WQKMAMCFCJZYLI-UHFFFAOYSA-N -1 3 352.325 3.375 20 0 FGADHM O=C(COc1ccc(F)cc1)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000485128102 501730730 /nfs/dbraw/zinc/73/07/30/501730730.db2.gz WQKMAMCFCJZYLI-UHFFFAOYSA-N -1 3 352.325 3.375 20 0 FGADHM Cc1ccn2cc(C(=O)Nc3nnc(-c4cc5ccccc5o4)[n-]3)nc2c1 ZINC000485135102 501733707 /nfs/dbraw/zinc/73/37/07/501733707.db2.gz XKWYQWLXJZDJJV-UHFFFAOYSA-N -1 3 358.361 3.426 20 0 FGADHM Cc1ccn2cc(C(=O)Nc3nc(-c4cc5ccccc5o4)n[n-]3)nc2c1 ZINC000485135102 501733713 /nfs/dbraw/zinc/73/37/13/501733713.db2.gz XKWYQWLXJZDJJV-UHFFFAOYSA-N -1 3 358.361 3.426 20 0 FGADHM Cc1ccn2cc(C(=O)Nc3n[n-]c(-c4cc5ccccc5o4)n3)nc2c1 ZINC000485135102 501733723 /nfs/dbraw/zinc/73/37/23/501733723.db2.gz XKWYQWLXJZDJJV-UHFFFAOYSA-N -1 3 358.361 3.426 20 0 FGADHM Cc1cccc(CS(=O)(=O)[N-][C@H](CC(C)C)C(=O)OC(C)(C)C)c1 ZINC000470602268 501739467 /nfs/dbraw/zinc/73/94/67/501739467.db2.gz OCQBJAUACXVRGU-MRXNPFEDSA-N -1 3 355.500 3.171 20 0 FGADHM CC(C)Oc1cc(C(=O)N=c2cc(-c3cc(F)cc(F)c3)[n-][nH]2)ccn1 ZINC000470637862 501751622 /nfs/dbraw/zinc/75/16/22/501751622.db2.gz NJBXJQJOWIJOHJ-UHFFFAOYSA-N -1 3 358.348 3.211 20 0 FGADHM Cc1nc(-c2ccc(NC(=O)N[C@@H]3CCCc4c[nH]nc43)cc2)cc(=O)[n-]1 ZINC000481454919 501780343 /nfs/dbraw/zinc/78/03/43/501780343.db2.gz JOBRFLUZPXKPDJ-OAHLLOKOSA-N -1 3 364.409 3.080 20 0 FGADHM Cc1ncc(CNc2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)s1 ZINC000485292867 501780318 /nfs/dbraw/zinc/78/03/18/501780318.db2.gz PQMKTPGEORHEBJ-UHFFFAOYSA-N -1 3 357.476 3.280 20 0 FGADHM Cc1cnc(C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)c([O-])c1 ZINC000460285937 501780674 /nfs/dbraw/zinc/78/06/74/501780674.db2.gz DPQRIMIYWYWVGU-UHFFFAOYSA-N -1 3 359.857 3.143 20 0 FGADHM COc1cc(C(=O)N[C@@H](C)c2ccc(Br)cn2)ccc1[O-] ZINC000477793449 501788762 /nfs/dbraw/zinc/78/87/62/501788762.db2.gz AVLDWBISBCJYGN-VIFPVBQESA-N -1 3 351.200 3.049 20 0 FGADHM Cc1cc(=NC(=O)N(C)[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)[n-]nc1C ZINC000467474636 501803426 /nfs/dbraw/zinc/80/34/26/501803426.db2.gz VTRSKVSDNQDONJ-VQIMIIECSA-N -1 3 367.497 3.032 20 0 FGADHM CCOC(=O)COc1ccc(-c2nc3cc(Cl)ccc3c(=O)[n-]2)cc1 ZINC000481551335 501811815 /nfs/dbraw/zinc/81/18/15/501811815.db2.gz GIKGWACCHNRTDL-UHFFFAOYSA-N -1 3 358.781 3.185 20 0 FGADHM CCc1cc(C(=O)N[C@@H](CN2CCOCC2)c2ccc(C)cc2)ccc1[O-] ZINC000485462940 501827833 /nfs/dbraw/zinc/82/78/33/501827833.db2.gz IZRTZCYHBUEZST-FQEVSTJZSA-N -1 3 368.477 3.066 20 0 FGADHM CC(=O)Nc1cc(C(=O)N=c2cc(-c3cc(F)cc(F)c3)[n-][nH]2)ccc1F ZINC000467711143 501850605 /nfs/dbraw/zinc/85/06/05/501850605.db2.gz RDTCENAMLNSXSO-UHFFFAOYSA-N -1 3 374.322 3.127 20 0 FGADHM COc1ccc(CCC(=O)N=c2cc(-c3cc(F)cc(F)c3)[n-][nH]2)cc1 ZINC000467712584 501850791 /nfs/dbraw/zinc/85/07/91/501850791.db2.gz IMORCXRTJRSJRJ-UHFFFAOYSA-N -1 3 357.360 3.357 20 0 FGADHM CCn1cnc(S(=O)(=O)[N-][C@H](c2ccc(F)cc2F)C(C)(C)C)c1 ZINC000467763031 501864560 /nfs/dbraw/zinc/86/45/60/501864560.db2.gz QOVXGAIRYHIMPG-OAHLLOKOSA-N -1 3 357.426 3.247 20 0 FGADHM Cc1ccc([C@H]2OCCC[C@@H]2[N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000467797380 501877040 /nfs/dbraw/zinc/87/70/40/501877040.db2.gz HRQGCJBUVSJMAH-ZWKOTPCHSA-N -1 3 367.417 3.472 20 0 FGADHM O=C(N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1)c1cc(-c2ccco2)on1 ZINC000467802218 501877901 /nfs/dbraw/zinc/87/79/01/501877901.db2.gz BSWGWADAOIAREY-UHFFFAOYSA-N -1 3 356.288 3.277 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)s1)[C@@H](c1ccccc1)N(C)C ZINC000474571885 501879711 /nfs/dbraw/zinc/87/97/11/501879711.db2.gz BUJFDJYLPLKLFJ-ABAIWWIYSA-N -1 3 358.916 3.371 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]Cc2coc(-c3cccs3)n2)c(F)c1 ZINC000478138512 501890983 /nfs/dbraw/zinc/89/09/83/501890983.db2.gz CXIPVFOUZYOKIW-UHFFFAOYSA-N -1 3 368.411 3.029 20 0 FGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1ccc(OCc2ccccn2)cc1 ZINC000460686187 501895957 /nfs/dbraw/zinc/89/59/57/501895957.db2.gz FFMTXCGFDHYVSR-UHFFFAOYSA-N -1 3 372.388 3.093 20 0 FGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1ccc(OCc2ccccn2)cc1 ZINC000460686187 501895959 /nfs/dbraw/zinc/89/59/59/501895959.db2.gz FFMTXCGFDHYVSR-UHFFFAOYSA-N -1 3 372.388 3.093 20 0 FGADHM CSc1cccc([C@@H](NC(=O)c2c[n-]nn2)c2cc(F)ccc2F)c1 ZINC000464120935 501902022 /nfs/dbraw/zinc/90/20/22/501902022.db2.gz WPISJPWRCOILBS-MRXNPFEDSA-N -1 3 360.389 3.324 20 0 FGADHM CSc1cccc([C@@H](NC(=O)c2cnn[n-]2)c2cc(F)ccc2F)c1 ZINC000464120935 501902028 /nfs/dbraw/zinc/90/20/28/501902028.db2.gz WPISJPWRCOILBS-MRXNPFEDSA-N -1 3 360.389 3.324 20 0 FGADHM CSc1cccc([C@@H](NC(=O)c2cn[n-]n2)c2cc(F)ccc2F)c1 ZINC000464120935 501902032 /nfs/dbraw/zinc/90/20/32/501902032.db2.gz WPISJPWRCOILBS-MRXNPFEDSA-N -1 3 360.389 3.324 20 0 FGADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)C1CCC(c2ccccc2)CC1 ZINC000481912542 501916443 /nfs/dbraw/zinc/91/64/43/501916443.db2.gz XYKJPNYXVUTQKO-UHFFFAOYSA-N -1 3 352.360 3.414 20 0 FGADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)C1CCC(c2ccccc2)CC1 ZINC000481912542 501916447 /nfs/dbraw/zinc/91/64/47/501916447.db2.gz XYKJPNYXVUTQKO-UHFFFAOYSA-N -1 3 352.360 3.414 20 0 FGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)C1CCC(c2ccccc2)CC1 ZINC000481912542 501916450 /nfs/dbraw/zinc/91/64/50/501916450.db2.gz XYKJPNYXVUTQKO-UHFFFAOYSA-N -1 3 352.360 3.414 20 0 FGADHM CCc1ccc(S(=O)(=O)[N-]c2ccncc2Br)cc1CC ZINC000481918932 501918206 /nfs/dbraw/zinc/91/82/06/501918206.db2.gz GBZJITBFPJCRMA-UHFFFAOYSA-N -1 3 369.284 3.192 20 0 FGADHM COC[C@@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)c1ccc(F)cc1 ZINC000464208937 501922759 /nfs/dbraw/zinc/92/27/59/501922759.db2.gz DLUYVBZMDSCJJX-CQSZACIVSA-N -1 3 361.797 3.284 20 0 FGADHM O=C(CCc1cc(Cl)cc(Cl)c1)NCc1nnc(C(F)(F)F)[n-]1 ZINC000481935520 501923629 /nfs/dbraw/zinc/92/36/29/501923629.db2.gz 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501944299 /nfs/dbraw/zinc/94/42/99/501944299.db2.gz RGAQVWPUPOCUBD-UHFFFAOYSA-N -1 3 371.347 3.351 20 0 FGADHM CCc1ncc(S(=O)(=O)[N-][C@@H](C)[C@H](OC)c2ccc(Cl)cc2)s1 ZINC000460948695 501967146 /nfs/dbraw/zinc/96/71/46/501967146.db2.gz KILMKSXDCRRYCG-BONVTDFDSA-N -1 3 374.915 3.413 20 0 FGADHM Cc1cc(CS(=O)(=O)[N-][C@@H](c2ccccc2)c2ccc(F)cc2)on1 ZINC000485870058 501969446 /nfs/dbraw/zinc/96/94/46/501969446.db2.gz HMQOFHQPYWWGHI-SFHVURJKSA-N -1 3 360.410 3.331 20 0 FGADHM CC(C)C[C@H]1CCN(C(=O)N=c2cc3ccc(Br)cn3[n-]2)C1 ZINC000482085798 501969896 /nfs/dbraw/zinc/96/98/96/501969896.db2.gz VLHXKNIKXMFNNN-GFCCVEGCSA-N -1 3 365.275 3.419 20 0 FGADHM CCc1ncc(S(=O)(=O)[N-]CCCSc2ccc(F)cc2)s1 ZINC000460961435 501971705 /nfs/dbraw/zinc/97/17/05/501971705.db2.gz VRTGDSCDGYNMQD-UHFFFAOYSA-N -1 3 360.501 3.305 20 0 FGADHM Cc1cc(CS(=O)(=O)[N-][C@H](Cc2ccccc2)c2cccs2)on1 ZINC000485884016 501975233 /nfs/dbraw/zinc/97/52/33/501975233.db2.gz QXBLKLQZMAAIBZ-MRXNPFEDSA-N -1 3 362.476 3.448 20 0 FGADHM 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COc1cccc(-c2ccc(CNC(=O)NCc3ncccc3[O-])cc2)c1 ZINC000471982537 502190925 /nfs/dbraw/zinc/19/09/25/502190925.db2.gz ZFNJMYGVPJGMOV-UHFFFAOYSA-N -1 3 363.417 3.462 20 0 FGADHM C[N-]S(=O)(=O)c1cc(NC(=O)Nc2cccc(SC)c2)ccc1F ZINC000486575873 502195659 /nfs/dbraw/zinc/19/56/59/502195659.db2.gz MDPBVTPTNYYNPJ-UHFFFAOYSA-N -1 3 369.443 3.100 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)NCc2ccccc2N2CCCCC2)c1 ZINC000482880094 502205048 /nfs/dbraw/zinc/20/50/48/502205048.db2.gz NONSGUZBFFAKNN-UHFFFAOYSA-N -1 3 367.449 3.271 20 0 FGADHM O=C(NCc1c(F)cccc1OC(F)F)c1cc(=O)c2ccccc2[n-]1 ZINC000465186247 502209568 /nfs/dbraw/zinc/20/95/68/502209568.db2.gz PKUYJBNWXZBBNR-UHFFFAOYSA-N -1 3 362.307 3.199 20 0 FGADHM CCc1ccc(CS(=O)(=O)[N-]CC(=O)c2ccccc2Cl)cc1 ZINC000468870912 502212858 /nfs/dbraw/zinc/21/28/58/502212858.db2.gz HSLNRHCBLHAOEC-UHFFFAOYSA-N -1 3 351.855 3.205 20 0 FGADHM COC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@H](C)c2ccccc2Cl)c1 ZINC000486628567 502214246 /nfs/dbraw/zinc/21/42/46/502214246.db2.gz 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ZINC000472082273 502224622 /nfs/dbraw/zinc/22/46/22/502224622.db2.gz GNLGTGPWUJXWGY-UHFFFAOYSA-N -1 3 363.352 3.196 20 0 FGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)c1cc(F)ccc1-c1ccoc1 ZINC000472082273 502224624 /nfs/dbraw/zinc/22/46/24/502224624.db2.gz GNLGTGPWUJXWGY-UHFFFAOYSA-N -1 3 363.352 3.196 20 0 FGADHM Cc1nc(C)c(CC[N-]S(=O)(=O)c2oc3ccc(F)cc3c2C)s1 ZINC000472104929 502232515 /nfs/dbraw/zinc/23/25/15/502232515.db2.gz XKMSRPWQQHIUHB-UHFFFAOYSA-N -1 3 368.455 3.475 20 0 FGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)c1 ZINC000486693475 502233970 /nfs/dbraw/zinc/23/39/70/502233970.db2.gz JAKKJIPSGLUPDW-DAYGRLMNSA-N -1 3 363.866 3.213 20 0 FGADHM CCOc1nc2ccc(C(=O)Nc3cccc(N4CCCC4=O)c3)cc2[n-]1 ZINC000468936751 502235683 /nfs/dbraw/zinc/23/56/83/502235683.db2.gz MHESTCHCSXUAPV-UHFFFAOYSA-N -1 3 364.405 3.341 20 0 FGADHM CCOc1nc2cc(C(=O)Nc3cccc(N4CCCC4=O)c3)ccc2[n-]1 ZINC000468936751 502235689 /nfs/dbraw/zinc/23/56/89/502235689.db2.gz MHESTCHCSXUAPV-UHFFFAOYSA-N -1 3 364.405 3.341 20 0 FGADHM CCOc1nc2ccc(C(=O)Nc3cc(OC)c(OC)c(OC)c3)cc2[n-]1 ZINC000468944211 502238545 /nfs/dbraw/zinc/23/85/45/502238545.db2.gz MVQHPOAVKQIHEF-UHFFFAOYSA-N -1 3 371.393 3.240 20 0 FGADHM CCOc1nc2cc(C(=O)Nc3cc(OC)c(OC)c(OC)c3)ccc2[n-]1 ZINC000468944211 502238551 /nfs/dbraw/zinc/23/85/51/502238551.db2.gz MVQHPOAVKQIHEF-UHFFFAOYSA-N -1 3 371.393 3.240 20 0 FGADHM CCOC(=O)c1nnc(-c2cccc(CNCc3cc(C)ccc3F)c2)[n-]1 ZINC000582572882 506301613 /nfs/dbraw/zinc/30/16/13/506301613.db2.gz BITDEZPJOXRBKL-UHFFFAOYSA-N -1 3 368.412 3.386 20 0 FGADHM CCOC(=O)c1nc(-c2cccc(CNCc3cc(C)ccc3F)c2)n[n-]1 ZINC000582572882 506301619 /nfs/dbraw/zinc/30/16/19/506301619.db2.gz BITDEZPJOXRBKL-UHFFFAOYSA-N -1 3 368.412 3.386 20 0 FGADHM CCOC(=O)c1n[n-]c(-c2cccc(CNCc3cc(C)ccc3F)c2)n1 ZINC000582572882 506301626 /nfs/dbraw/zinc/30/16/26/506301626.db2.gz BITDEZPJOXRBKL-UHFFFAOYSA-N -1 3 368.412 3.386 20 0 FGADHM C[C@@H](C(=O)Nc1nnc(-c2ccccn2)[n-]1)c1cccc(Br)c1 ZINC000461923582 502239422 /nfs/dbraw/zinc/23/94/22/502239422.db2.gz XKLMZNIHLWRAAE-SNVBAGLBSA-N -1 3 372.226 3.371 20 0 FGADHM C[C@@H](C(=O)Nc1nc(-c2ccccn2)n[n-]1)c1cccc(Br)c1 ZINC000461923582 502239432 /nfs/dbraw/zinc/23/94/32/502239432.db2.gz XKLMZNIHLWRAAE-SNVBAGLBSA-N -1 3 372.226 3.371 20 0 FGADHM C[C@@H](C(=O)Nc1n[n-]c(-c2ccccn2)n1)c1cccc(Br)c1 ZINC000461923582 502239434 /nfs/dbraw/zinc/23/94/34/502239434.db2.gz XKLMZNIHLWRAAE-SNVBAGLBSA-N -1 3 372.226 3.371 20 0 FGADHM COc1ccc(CCN(CC(C)C)C(=O)c2csc(=O)[n-]2)cc1OC ZINC000472157610 502252023 /nfs/dbraw/zinc/25/20/23/502252023.db2.gz OAFWAPXGFHKTLS-UHFFFAOYSA-N -1 3 364.467 3.207 20 0 FGADHM COC(=O)[C@@H]([N-]S(=O)(=O)CC1CCCCC1)c1cc(C)cc(C)c1 ZINC000468991474 502254614 /nfs/dbraw/zinc/25/46/14/502254614.db2.gz PQGGRSOXIMQJEH-KRWDZBQOSA-N -1 3 353.484 3.017 20 0 FGADHM CCCC[C@](C)(NCc1nc(=O)n(C)[n-]1)c1cccc(Br)c1 ZINC000483061878 502259490 /nfs/dbraw/zinc/25/94/90/502259490.db2.gz SPPDCJBDHHTHKX-INIZCTEOSA-N -1 3 367.291 3.066 20 0 FGADHM CCC(O)(CC)CC[N-]S(=O)(=O)c1sc(C)cc1Br ZINC000472189903 502263974 /nfs/dbraw/zinc/26/39/74/502263974.db2.gz HUGIROOVXPOKSK-UHFFFAOYSA-N -1 3 370.334 3.039 20 0 FGADHM O=C(CCCc1ccc([O-])c(F)c1)NCc1cc(F)cc2c1OCOC2 ZINC000469028577 502269585 /nfs/dbraw/zinc/26/95/85/502269585.db2.gz RRCWFRSKUFMSCI-UHFFFAOYSA-N -1 3 363.360 3.176 20 0 FGADHM COc1ccc(F)cc1[C@H](C)[N-]S(=O)(=O)c1cc(F)c(C)cc1F ZINC000475734166 502270734 /nfs/dbraw/zinc/27/07/34/502270734.db2.gz WOFZYUQWBJJENO-JTQLQIEISA-N -1 3 359.369 3.460 20 0 FGADHM COC(=O)c1sc2[n-]c(CN(C)[C@H]3CCC(C)(C)C3)nc(=O)c2c1C ZINC000483110630 502275872 /nfs/dbraw/zinc/27/58/72/502275872.db2.gz CBFGOMNDDGEGBI-NSHDSACASA-N -1 3 363.483 3.090 20 0 FGADHM CCN(CCSC)C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000592921633 506303635 /nfs/dbraw/zinc/30/36/35/506303635.db2.gz NHKZHNQFCQTEJD-UHFFFAOYSA-N -1 3 369.284 3.116 20 0 FGADHM CCNC(=O)COc1cccc(NC(=O)CCCc2ccc([O-])c(F)c2)c1 ZINC000469060749 502282586 /nfs/dbraw/zinc/28/25/86/502282586.db2.gz RZOQTAXZKQCUJD-UHFFFAOYSA-N -1 3 374.412 3.008 20 0 FGADHM CO[C@@H](C[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)c1ccccc1 ZINC000462092574 502304335 /nfs/dbraw/zinc/30/43/35/502304335.db2.gz KFFCUVWEJXVPCC-NSHDSACASA-N -1 3 365.398 3.433 20 0 FGADHM CCc1cnc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)s1 ZINC000462095997 502304728 /nfs/dbraw/zinc/30/47/28/502304728.db2.gz YNIXOONNANACPK-UHFFFAOYSA-N -1 3 356.416 3.264 20 0 FGADHM CCC(CC)(CCO)C[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000462094951 502305526 /nfs/dbraw/zinc/30/55/26/502305526.db2.gz WTBVVMDSEAKPDP-UHFFFAOYSA-N -1 3 359.435 3.234 20 0 FGADHM Cc1cc(NC(=O)Nc2ccc([O-])c(Cl)c2)n(C2CCN(C)CC2)n1 ZINC000486934199 502308066 /nfs/dbraw/zinc/30/80/66/502308066.db2.gz JXQSKAPIWMJJHF-UHFFFAOYSA-N -1 3 363.849 3.461 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]CCCC(=O)OC(C)(C)C)c(Cl)cc1F ZINC000472333639 502318755 /nfs/dbraw/zinc/31/87/55/502318755.db2.gz DJHBLZNJPYTVDO-UHFFFAOYSA-N -1 3 365.854 3.188 20 0 FGADHM O=S(=O)([N-][C@H]1C[C@H](c2ccc(Br)cc2)C1)c1ccco1 ZINC000462149184 502324998 /nfs/dbraw/zinc/32/49/98/502324998.db2.gz PHHUSXLRDCVSOG-AULYBMBSSA-N -1 3 356.241 3.267 20 0 FGADHM CC(C)Cn1cnc(S(=O)(=O)[N-][C@@H](C)c2ccccc2OC(F)F)c1 ZINC000487010221 502329810 /nfs/dbraw/zinc/32/98/10/502329810.db2.gz XGIPBWGEZGCHQS-LBPRGKRZSA-N -1 3 373.425 3.180 20 0 FGADHM Cc1cccc2c(=O)c(C(=O)N3CCc4ccc(F)c(F)c4C3)c[n-]c12 ZINC000483269126 502334237 /nfs/dbraw/zinc/33/42/37/502334237.db2.gz LXQOXARUURBWGH-UHFFFAOYSA-N -1 3 354.356 3.313 20 0 FGADHM COc1ccc(S(=O)(=O)[N-][C@@H](C)c2cccnc2)c(Cl)c1Cl ZINC000462296435 502383358 /nfs/dbraw/zinc/38/33/58/502383358.db2.gz OGLSEYPANBRKMM-VIFPVBQESA-N -1 3 361.250 3.437 20 0 FGADHM C[C@H](Oc1ccc2ccccc2c1)C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000472578435 502389014 /nfs/dbraw/zinc/38/90/14/502389014.db2.gz LZSADDTYQQTJLO-JTQLQIEISA-N -1 3 364.327 3.060 20 0 FGADHM C[C@H](Oc1ccc2ccccc2c1)C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000472578435 502389019 /nfs/dbraw/zinc/38/90/19/502389019.db2.gz LZSADDTYQQTJLO-JTQLQIEISA-N -1 3 364.327 3.060 20 0 FGADHM C[C@H](Oc1ccc2ccccc2c1)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000472578435 502389024 /nfs/dbraw/zinc/38/90/24/502389024.db2.gz LZSADDTYQQTJLO-JTQLQIEISA-N -1 3 364.327 3.060 20 0 FGADHM CC[C@](C)([N-]S(=O)(=O)c1cc(OC)ccc1OC)c1nc(C)cs1 ZINC000462313963 502389512 /nfs/dbraw/zinc/38/95/12/502389512.db2.gz MTBPPTKGFVRUBM-INIZCTEOSA-N -1 3 370.496 3.072 20 0 FGADHM CCC(CC)N1C[C@H](C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)CC1=O ZINC000476130789 502394165 /nfs/dbraw/zinc/39/41/65/502394165.db2.gz CGKFCJHKBBHMSE-SNVBAGLBSA-N -1 3 358.360 3.387 20 0 FGADHM CCC[C@H](C)N1C[C@H](C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)CC1=O ZINC000476136938 502395160 /nfs/dbraw/zinc/39/51/60/502395160.db2.gz FABZEPPXCSHXCR-WDEREUQCSA-N -1 3 358.360 3.387 20 0 FGADHM CC[C@](C)([N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)c1nccs1 ZINC000462347240 502402514 /nfs/dbraw/zinc/40/25/14/502402514.db2.gz HOSGAHKVPGLUKU-ZDUSSCGKSA-N -1 3 350.387 3.164 20 0 FGADHM COC[C@@H](NC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1)c1ccco1 ZINC000472687597 502418941 /nfs/dbraw/zinc/41/89/41/502418941.db2.gz RGHLVOSVCBBDLN-MRXNPFEDSA-N -1 3 368.393 3.260 20 0 FGADHM C[C@@H](c1cc2ccccc2o1)N(C)C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000483543012 502426710 /nfs/dbraw/zinc/42/67/10/502426710.db2.gz MSGUBUCDIKHMPM-VIFPVBQESA-N -1 3 367.331 3.472 20 0 FGADHM C[C@@H](c1cc2ccccc2o1)N(C)C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000483543012 502426716 /nfs/dbraw/zinc/42/67/16/502426716.db2.gz MSGUBUCDIKHMPM-VIFPVBQESA-N -1 3 367.331 3.472 20 0 FGADHM C[C@@H](c1cc2ccccc2o1)N(C)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000483543012 502426719 /nfs/dbraw/zinc/42/67/19/502426719.db2.gz MSGUBUCDIKHMPM-VIFPVBQESA-N -1 3 367.331 3.472 20 0 FGADHM CCOC(=O)[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)s1)c1ccccc1 ZINC000462414277 502429299 /nfs/dbraw/zinc/42/92/99/502429299.db2.gz CWIBKJMXBBECHS-LBPRGKRZSA-N -1 3 373.883 3.027 20 0 FGADHM C[C@@H]1CN(C(=O)NCc2nnc(C(F)(F)F)[n-]2)CC[C@@H]1c1ccccc1 ZINC000483559547 502431527 /nfs/dbraw/zinc/43/15/27/502431527.db2.gz MVBYEWUYTCTNMD-YPMHNXCESA-N -1 3 367.375 3.159 20 0 FGADHM C[C@@H]1CN(C(=O)NCc2n[n-]c(C(F)(F)F)n2)CC[C@@H]1c1ccccc1 ZINC000483559547 502431530 /nfs/dbraw/zinc/43/15/30/502431530.db2.gz MVBYEWUYTCTNMD-YPMHNXCESA-N -1 3 367.375 3.159 20 0 FGADHM C[C@@H]1CN(C(=O)NCc2nc(C(F)(F)F)n[n-]2)CC[C@@H]1c1ccccc1 ZINC000483559547 502431536 /nfs/dbraw/zinc/43/15/36/502431536.db2.gz MVBYEWUYTCTNMD-YPMHNXCESA-N -1 3 367.375 3.159 20 0 FGADHM C[C@H]1CN(C(=O)NCc2nnc(C(F)(F)F)[n-]2)CC[C@H]1c1ccccc1 ZINC000483559546 502432160 /nfs/dbraw/zinc/43/21/60/502432160.db2.gz MVBYEWUYTCTNMD-WCQYABFASA-N -1 3 367.375 3.159 20 0 FGADHM C[C@H]1CN(C(=O)NCc2n[n-]c(C(F)(F)F)n2)CC[C@H]1c1ccccc1 ZINC000483559546 502432162 /nfs/dbraw/zinc/43/21/62/502432162.db2.gz MVBYEWUYTCTNMD-WCQYABFASA-N -1 3 367.375 3.159 20 0 FGADHM C[C@H]1CN(C(=O)NCc2nc(C(F)(F)F)n[n-]2)CC[C@H]1c1ccccc1 ZINC000483559546 502432165 /nfs/dbraw/zinc/43/21/65/502432165.db2.gz MVBYEWUYTCTNMD-WCQYABFASA-N -1 3 367.375 3.159 20 0 FGADHM COc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2C[C@@H]2Cc2ccccc2)c1 ZINC000462488343 502460417 /nfs/dbraw/zinc/46/04/17/502460417.db2.gz HFONEAMPBAROEQ-XJKSGUPXSA-N -1 3 351.855 3.258 20 0 FGADHM Cc1cc(C)c(-c2cc(=NC(=O)Cc3n[nH]c4ccccc43)[nH][n-]2)cc1C ZINC000487577140 502482468 /nfs/dbraw/zinc/48/24/68/502482468.db2.gz SKQCKQNPTXAQOK-UHFFFAOYSA-N -1 3 359.433 3.481 20 0 FGADHM Cc1cc(C)c(-c2cc(=NC(=O)Cc3[nH]nc4ccccc43)[nH][n-]2)cc1C ZINC000487577140 502482471 /nfs/dbraw/zinc/48/24/71/502482471.db2.gz SKQCKQNPTXAQOK-UHFFFAOYSA-N -1 3 359.433 3.481 20 0 FGADHM Cc1cc(Cl)cc(NC(=O)c2cnn(CCO)c2-c2ccccc2)c1[O-] ZINC000476454864 502492622 /nfs/dbraw/zinc/49/26/22/502492622.db2.gz WECLMAJOALIVKE-UHFFFAOYSA-N -1 3 371.824 3.462 20 0 FGADHM CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N=c1ccc(C2CC2)n[n-]1 ZINC000469667593 502497304 /nfs/dbraw/zinc/49/73/04/502497304.db2.gz RHSZTHBSFIGCFR-IBGZPJMESA-N -1 3 367.497 3.054 20 0 FGADHM COc1ccc(O[C@@H](C)C[N-]S(=O)(=O)c2ccc(Cl)cc2F)cc1 ZINC000462607230 502505019 /nfs/dbraw/zinc/50/50/19/502505019.db2.gz OJZGACZKSDZOIK-NSHDSACASA-N -1 3 373.833 3.234 20 0 FGADHM Cc1nc2sc3c(c2c(NCc2n[n-]c(C(F)(F)F)n2)n1)CCC3 ZINC000480309007 502533472 /nfs/dbraw/zinc/53/34/72/502533472.db2.gz QJYZOGVCDROCMO-UHFFFAOYSA-N -1 3 354.361 3.237 20 0 FGADHM Cc1nc2sc3c(c2c(NCc2nnc(C(F)(F)F)[n-]2)n1)CCC3 ZINC000480309007 502533477 /nfs/dbraw/zinc/53/34/77/502533477.db2.gz QJYZOGVCDROCMO-UHFFFAOYSA-N -1 3 354.361 3.237 20 0 FGADHM Cc1nc2sc3c(c2c(NCc2nc(C(F)(F)F)n[n-]2)n1)CCC3 ZINC000480309007 502533480 /nfs/dbraw/zinc/53/34/80/502533480.db2.gz QJYZOGVCDROCMO-UHFFFAOYSA-N -1 3 354.361 3.237 20 0 FGADHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(F)ccc2Cl)C12CCCC2 ZINC000462684978 502534209 /nfs/dbraw/zinc/53/42/09/502534209.db2.gz VVKLSUIRSYMEMY-HUUCEWRRSA-N -1 3 361.866 3.495 20 0 FGADHM COC(=O)C[C@H]([N-]S(=O)(=O)c1ccc(Cl)s1)C1CCCCC1 ZINC000462710482 502542949 /nfs/dbraw/zinc/54/29/49/502542949.db2.gz WTOAHYDLXDOHLB-NSHDSACASA-N -1 3 365.904 3.192 20 0 FGADHM Cc1ccccc1O[C@@H](C)C[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000462717063 502547323 /nfs/dbraw/zinc/54/73/23/502547323.db2.gz VBRUCWZXKHCZSU-NSHDSACASA-N -1 3 359.369 3.158 20 0 FGADHM CO[C@@H]1CN(C(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)CC[C@H]1C ZINC000466365882 502548780 /nfs/dbraw/zinc/54/87/80/502548780.db2.gz YKHYXFZDRURWKA-SJKOYZFVSA-N -1 3 356.426 3.046 20 0 FGADHM CO[C@H]1CN(C(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)CC[C@H]1C ZINC000466365878 502549033 /nfs/dbraw/zinc/54/90/33/502549033.db2.gz YKHYXFZDRURWKA-PXAZEXFGSA-N -1 3 356.426 3.046 20 0 FGADHM Cc1cc(C(=O)NCc2ccc(COCc3ccccc3)cc2)[n-]c(=O)n1 ZINC000480378037 502552196 /nfs/dbraw/zinc/55/21/96/502552196.db2.gz MXTJXLSQADSUMH-UHFFFAOYSA-N -1 3 363.417 3.137 20 0 FGADHM Cc1ncc(CNC(=O)C(C)(C)Cc2ccc(C(F)(F)F)cc2)c(=O)[n-]1 ZINC000469812702 502554017 /nfs/dbraw/zinc/55/40/17/502554017.db2.gz VIFIZSSWHGCDBW-UHFFFAOYSA-N -1 3 367.371 3.395 20 0 FGADHM O=C(COc1ccccc1Br)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000480434517 502567641 /nfs/dbraw/zinc/56/76/41/502567641.db2.gz LPYGZBDCOGBDRX-UHFFFAOYSA-N -1 3 372.222 3.279 20 0 FGADHM O=S(=O)([N-]CC1CCN(c2ccccc2)CC1)c1ccc(F)c(F)c1 ZINC000480442269 502570350 /nfs/dbraw/zinc/57/03/50/502570350.db2.gz WTBBKYFVLWDIOP-UHFFFAOYSA-N -1 3 366.433 3.160 20 0 FGADHM CN(Cc1ccccc1)[C@H](CN=c1[n-]nc(C(F)(F)F)s1)C1CC1 ZINC000480530092 502593564 /nfs/dbraw/zinc/59/35/64/502593564.db2.gz OZSVKZKZZBJUQO-CYBMUJFWSA-N -1 3 356.417 3.301 20 0 FGADHM O=C(NCc1ncccc1[O-])Nc1ccc2nc(-c3ccccn3)oc2c1 ZINC000469911806 502595211 /nfs/dbraw/zinc/59/52/11/502595211.db2.gz YWZKJZLPIXSGFF-UHFFFAOYSA-N -1 3 361.361 3.312 20 0 FGADHM CSc1c(C(=O)N=c2cc(-c3cc(C)c(C)cc3C)[n-][nH]2)cnn1C ZINC000484179697 502595263 /nfs/dbraw/zinc/59/52/63/502595263.db2.gz QFICKZNVHOATLN-UHFFFAOYSA-N -1 3 355.467 3.132 20 0 FGADHM O=S(=O)(Cc1cc(Cl)ccc1F)[N-][C@@H]1COc2ccc(F)cc21 ZINC000466535953 502599982 /nfs/dbraw/zinc/59/99/82/502599982.db2.gz KKQBAPFDDMJUKK-CQSZACIVSA-N -1 3 359.781 3.171 20 0 FGADHM Cc1ccc(NC(=O)NCc2nnc(C(F)(F)F)[n-]2)cc1OC(F)F ZINC000480569867 502606397 /nfs/dbraw/zinc/60/63/97/502606397.db2.gz 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ZINC000484412719 502639901 /nfs/dbraw/zinc/63/99/01/502639901.db2.gz ANYDNEHSMGWDPC-KRWDZBQOSA-N -1 3 367.405 3.454 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@@H](OC(C)C)c3ccccc3)nc21 ZINC000484412719 502639904 /nfs/dbraw/zinc/63/99/04/502639904.db2.gz ANYDNEHSMGWDPC-KRWDZBQOSA-N -1 3 367.405 3.454 20 0 FGADHM CC(C)c1cc(C(=O)N[C@H](CO)Cc2ccncc2)c([O-])c(C(C)C)c1 ZINC000476981604 502639911 /nfs/dbraw/zinc/63/99/11/502639911.db2.gz JFFGREURMWYLOZ-KRWDZBQOSA-N -1 3 356.466 3.367 20 0 FGADHM COC[C@H](Cc1ccccc1)N(C)C(=O)c1c[n-]c2c(C)cccc2c1=O ZINC000477000163 502646667 /nfs/dbraw/zinc/64/66/67/502646667.db2.gz IQZIVJARLDQRKC-KRWDZBQOSA-N -1 3 364.445 3.166 20 0 FGADHM CCCN(C)S(=O)(=O)[N-]c1cc(Cl)ccc1OCC(F)(F)F ZINC000480739358 502659043 /nfs/dbraw/zinc/65/90/43/502659043.db2.gz MTTKKKVXSLKQJH-UHFFFAOYSA-N -1 3 360.785 3.280 20 0 FGADHM CC(C)c1nc(C(=O)NCc2ncccc2[O-])nn1-c1ccccc1Cl ZINC000473634620 502661445 /nfs/dbraw/zinc/66/14/45/502661445.db2.gz WPKJFJRFVPNQDJ-UHFFFAOYSA-N -1 3 371.828 3.075 20 0 FGADHM C[C@H]1Cc2ccccc2N1Cc1occc1C(=O)NCc1ncccc1[O-] ZINC000473637840 502662395 /nfs/dbraw/zinc/66/23/95/502662395.db2.gz WZYGITPTBCJZQS-AWEZNQCLSA-N -1 3 363.417 3.261 20 0 FGADHM O=C(NCc1ncccc1[O-])c1cc(Cl)cc(Br)c1F ZINC000473642724 502664947 /nfs/dbraw/zinc/66/49/47/502664947.db2.gz QIFPPNJSDKHWJF-UHFFFAOYSA-N -1 3 359.582 3.272 20 0 FGADHM CCc1cc(C(=O)Nc2nnn(Cc3ccccc3F)c2C)ccc1[O-] ZINC000488356164 502691292 /nfs/dbraw/zinc/69/12/92/502691292.db2.gz SQGNTFJDIMUBPI-UHFFFAOYSA-N -1 3 354.385 3.294 20 0 FGADHM CCOC(=O)c1cc(NC(=O)c2[n-]nc3c2cccc3OC)c(F)cc1C ZINC000488360682 502692515 /nfs/dbraw/zinc/69/25/15/502692515.db2.gz XEBUEXTUGKEHJP-UHFFFAOYSA-N -1 3 371.368 3.448 20 0 FGADHM CCOC(=O)c1cc(NC(=O)c2n[n-]c3c2cccc3OC)c(F)cc1C ZINC000488360682 502692518 /nfs/dbraw/zinc/69/25/18/502692518.db2.gz XEBUEXTUGKEHJP-UHFFFAOYSA-N -1 3 371.368 3.448 20 0 FGADHM O=C([N-]Cc1noc(-c2ccccc2F)n1)c1c(F)c(F)cc(F)c1F ZINC000477150343 502692809 /nfs/dbraw/zinc/69/28/09/502692809.db2.gz 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351.516 3.307 20 0 FGADHM Cc1cc(S(=O)(=O)[N-][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)sc1Cl ZINC000473945876 502758658 /nfs/dbraw/zinc/75/86/58/502758658.db2.gz RDEYVYXEMSNKPL-CYZMBNFOSA-N -1 3 361.916 3.336 20 0 FGADHM CCO[C@@H]1C[C@H](N(C)C(=O)Cc2ccc(Br)cc2[O-])C1(C)C ZINC000477377925 502758911 /nfs/dbraw/zinc/75/89/11/502758911.db2.gz HWKOEFLEGAETOM-LSDHHAIUSA-N -1 3 370.287 3.359 20 0 FGADHM C[S@](=O)c1ccc(NC(=O)Cc2ccc(Br)cc2[O-])cc1 ZINC000477383457 502760920 /nfs/dbraw/zinc/76/09/20/502760920.db2.gz WPWUKXLKVVYOBL-NRFANRHFSA-N -1 3 368.252 3.073 20 0 FGADHM Cc1noc(C)c1[C@@H](C)CNC(=O)Cc1ccc(Br)cc1[O-] ZINC000477395666 502763246 /nfs/dbraw/zinc/76/32/46/502763246.db2.gz FQGLNLGUWHNFCG-VIFPVBQESA-N -1 3 367.243 3.222 20 0 FGADHM CC(C)Oc1cc(F)ccc1NC(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000481151298 502766705 /nfs/dbraw/zinc/76/67/05/502766705.db2.gz ZTWBUKPHNWRONX-UHFFFAOYSA-N -1 3 361.299 3.072 20 0 FGADHM CC(C)Oc1cc(F)ccc1NC(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000481151298 502766707 /nfs/dbraw/zinc/76/67/07/502766707.db2.gz ZTWBUKPHNWRONX-UHFFFAOYSA-N -1 3 361.299 3.072 20 0 FGADHM CC(C)Oc1cc(F)ccc1NC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000481151298 502766709 /nfs/dbraw/zinc/76/67/09/502766709.db2.gz ZTWBUKPHNWRONX-UHFFFAOYSA-N -1 3 361.299 3.072 20 0 FGADHM COc1ccc(Br)c(S(=O)(=O)[N-][C@H]2CCCC[C@@H]2C)c1 ZINC000474031462 502784272 /nfs/dbraw/zinc/78/42/72/502784272.db2.gz INTDGOKQEVORCI-GWCFXTLKSA-N -1 3 362.289 3.315 20 0 FGADHM CCn1cnc(S(=O)(=O)[N-][C@@H](Cc2ccccc2)c2ccccc2)c1 ZINC000474055519 502792536 /nfs/dbraw/zinc/79/25/36/502792536.db2.gz PMVZFKNKNAGWIO-SFHVURJKSA-N -1 3 355.463 3.165 20 0 FGADHM COc1ccc(Br)c(S(=O)(=O)[N-]CCC(C)(C)C)c1 ZINC000474059653 502793256 /nfs/dbraw/zinc/79/32/56/502793256.db2.gz PVPAIQXLDVDTMA-UHFFFAOYSA-N -1 3 350.278 3.172 20 0 FGADHM C[C@H](CNC(=O)NCc1ccc([O-])c(Br)c1)C(F)(F)F ZINC000477513604 502794765 /nfs/dbraw/zinc/79/47/65/502794765.db2.gz AJKJUARQBWFRIM-SSDOTTSWSA-N -1 3 355.154 3.152 20 0 FGADHM CCn1cnc(S(=O)(=O)[N-]C(C)(C)c2ccc(Cl)c(Cl)c2)c1 ZINC000474094820 502807513 /nfs/dbraw/zinc/80/75/13/502807513.db2.gz GHMWRMSMKXWUBE-UHFFFAOYSA-N -1 3 362.282 3.423 20 0 FGADHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)N[C@@H]1CCCCC12CCCC2 ZINC000485053388 502810803 /nfs/dbraw/zinc/81/08/03/502810803.db2.gz KNWKETXHLVROSI-QGZVFWFLSA-N -1 3 369.465 3.111 20 0 FGADHM O=C(c1cccc([O-])c1)N1CCN(CCSc2ccccc2F)CC1 ZINC000485098776 502815286 /nfs/dbraw/zinc/81/52/86/502815286.db2.gz ZZVZUFWKKAPSBB-UHFFFAOYSA-N -1 3 360.454 3.081 20 0 FGADHM CC[C@H](C)c1cc(C(=O)[N-]c2nc(C(C)(C)C(=O)OC)cs2)on1 ZINC000485114671 502816428 /nfs/dbraw/zinc/81/64/28/502816428.db2.gz CCUZEOXTAHWJRX-VIFPVBQESA-N -1 3 351.428 3.348 20 0 FGADHM COC(=O)c1cc(C)nc2nc([N-]C(=O)c3cc(C(C)C)no3)sc21 ZINC000504947395 502828555 /nfs/dbraw/zinc/82/85/55/502828555.db2.gz DGBPIOIZSNLZKG-UHFFFAOYSA-N -1 3 360.395 3.150 20 0 FGADHM CC1(C)Cc2ccc(C(=O)N3CCN(c4ccccc4)CC3)c([O-])c2O1 ZINC000588779985 506337128 /nfs/dbraw/zinc/33/71/28/506337128.db2.gz 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ZINC000495714095 502860455 /nfs/dbraw/zinc/86/04/55/502860455.db2.gz XDXTVTSBMMDSGT-UHFFFAOYSA-N -1 3 367.796 3.289 20 0 FGADHM O=S(=O)([N-]c1cc(Cl)ccc1OC[C@@H]1CCCCO1)N1CCCC1 ZINC000489022673 502862896 /nfs/dbraw/zinc/86/28/96/502862896.db2.gz YAESVUUOOIJJBS-AWEZNQCLSA-N -1 3 374.890 3.040 20 0 FGADHM CCCS(=O)(=O)Nc1cc(NC(=O)c2cccc([O-])c2)c(F)cc1F ZINC000509319605 502874642 /nfs/dbraw/zinc/87/46/42/502874642.db2.gz CKNOQBIBQXTCSO-UHFFFAOYSA-N -1 3 370.377 3.074 20 0 FGADHM O=S(=O)([N-]c1ccccc1-c1nnc[nH]1)c1ccc2ccccc2c1 ZINC000513319124 502903675 /nfs/dbraw/zinc/90/36/75/502903675.db2.gz LNOGKGMZJBQXQQ-UHFFFAOYSA-N -1 3 350.403 3.426 20 0 FGADHM O=S(=O)([N-]c1ccccc1-c1nnc[nH]1)c1ccc(C(F)(F)F)cc1 ZINC000513323468 502904478 /nfs/dbraw/zinc/90/44/78/502904478.db2.gz KQQCEBBAHDAHJM-UHFFFAOYSA-N -1 3 368.340 3.291 20 0 FGADHM CCc1c(C)nn(-c2cccc(C(=O)Nc3nnc(SC)[n-]3)c2)c1C ZINC000500981764 502904868 /nfs/dbraw/zinc/90/48/68/502904868.db2.gz IUVFMWPGYSBVEL-UHFFFAOYSA-N -1 3 356.455 3.144 20 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COc1cc(C(=O)N(C)CCOc2ccc(Cl)cc2)cc(OC)c1[O-] ZINC000513577449 502969387 /nfs/dbraw/zinc/96/93/87/502969387.db2.gz UGYAEBCITOIHGO-UHFFFAOYSA-N -1 3 365.813 3.214 20 0 FGADHM O=C(Nc1cc(Br)ccc1[O-])c1nc2cccnc2s1 ZINC000513599401 502976728 /nfs/dbraw/zinc/97/67/28/502976728.db2.gz ISTATDPANJVNRQ-UHFFFAOYSA-N -1 3 350.197 3.412 20 0 FGADHM COCC1(C[N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)CCC1 ZINC000509732155 502976799 /nfs/dbraw/zinc/97/67/99/502976799.db2.gz CJOVTXUMKWUHFE-UHFFFAOYSA-N -1 3 371.808 3.454 20 0 FGADHM CC[C@@H](C)[C@@](C)(O)CNC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000489536080 502980727 /nfs/dbraw/zinc/98/07/27/502980727.db2.gz DLBKLVQFTUJTET-BLVKFPJESA-N -1 3 358.442 3.076 20 0 FGADHM CC[C@H](C)[C@@](C)(O)CNC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000489536083 502980768 /nfs/dbraw/zinc/98/07/68/502980768.db2.gz DLBKLVQFTUJTET-BUXKBTBVSA-N -1 3 358.442 3.076 20 0 FGADHM CC1(C[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CCOCC1 ZINC000501330491 502986149 /nfs/dbraw/zinc/98/61/49/502986149.db2.gz HPLYMMWFZYYBKE-UHFFFAOYSA-N -1 3 371.808 3.454 20 0 FGADHM CCN(C(=O)c1cc([N-]C(=O)c2cc(OC)no2)ccc1Cl)C(C)C ZINC000489666076 503007522 /nfs/dbraw/zinc/00/75/22/503007522.db2.gz KAZOUIMYIRQVJV-UHFFFAOYSA-N -1 3 365.817 3.459 20 0 FGADHM Cc1ccccc1NCCC(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000513737720 503012550 /nfs/dbraw/zinc/01/25/50/503012550.db2.gz HMGAACANFJWVBT-UHFFFAOYSA-N -1 3 373.254 3.268 20 0 FGADHM CC(C)COc1ccc(CC[N-]S(=O)(=O)c2cn(C(C)C)cn2)cc1 ZINC000513801254 503025902 /nfs/dbraw/zinc/02/59/02/503025902.db2.gz RSWGICIPOZPLRB-UHFFFAOYSA-N -1 3 365.499 3.020 20 0 FGADHM COc1cc(C(=O)NCc2ccc(Br)c(F)c2)ccc1[O-] ZINC000509999051 503027011 /nfs/dbraw/zinc/02/70/11/503027011.db2.gz UBXSGNJQWSNDMG-UHFFFAOYSA-N -1 3 354.175 3.232 20 0 FGADHM Cc1ccccc1-c1cc(=NC(=O)c2ccc3c(c2)NC(=O)C3(C)C)[nH][n-]1 ZINC000497732127 503027986 /nfs/dbraw/zinc/02/79/86/503027986.db2.gz HWIJELIDKJDDIN-UHFFFAOYSA-N -1 3 360.417 3.289 20 0 FGADHM COc1ccc(Cl)c(S(=O)(=O)[N-][C@H](C)c2ccc3c(c2)OCO3)c1 ZINC000489772891 503031290 /nfs/dbraw/zinc/03/12/90/503031290.db2.gz URGADFQAYLRIIR-SNVBAGLBSA-N -1 3 369.826 3.117 20 0 FGADHM O=S(=O)([N-]CCOCc1ccc(Cl)cc1)c1ccc(F)c(F)c1 ZINC000513850109 503035804 /nfs/dbraw/zinc/03/58/04/503035804.db2.gz NBSOKFJUMJBBMI-UHFFFAOYSA-N -1 3 361.797 3.113 20 0 FGADHM O=C(NCCCCOc1ccc(Cl)cc1)c1cc(F)cc2nn[n-]c21 ZINC000501552766 503036811 /nfs/dbraw/zinc/03/68/11/503036811.db2.gz QAJHLKBZUBUCNV-UHFFFAOYSA-N -1 3 362.792 3.339 20 0 FGADHM O=C(NCCCCOc1ccc(Cl)cc1)c1cc(F)cc2[n-]nnc21 ZINC000501552766 503036815 /nfs/dbraw/zinc/03/68/15/503036815.db2.gz QAJHLKBZUBUCNV-UHFFFAOYSA-N -1 3 362.792 3.339 20 0 FGADHM O=C(NCCCCOc1ccc(Cl)cc1)c1cc(F)cc2n[n-]nc21 ZINC000501552766 503036819 /nfs/dbraw/zinc/03/68/19/503036819.db2.gz QAJHLKBZUBUCNV-UHFFFAOYSA-N -1 3 362.792 3.339 20 0 FGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]CCCN(C)c2ccccc2)c1 ZINC000489828564 503044176 /nfs/dbraw/zinc/04/41/76/503044176.db2.gz XCNLUBHPBZAESN-UHFFFAOYSA-N -1 3 368.886 3.153 20 0 FGADHM COc1cc(C(=O)NCCOc2ccc(C(C)C)cc2)cc(OC)c1[O-] ZINC000513960107 503055935 /nfs/dbraw/zinc/05/59/35/503055935.db2.gz AGTFJYONUALXTH-UHFFFAOYSA-N -1 3 359.422 3.342 20 0 FGADHM O=C(NCc1ccsc1Br)c1c[n-]c2ccccc2c1=O ZINC000514020024 503069384 /nfs/dbraw/zinc/06/93/84/503069384.db2.gz KLOBINIVXSFAMU-UHFFFAOYSA-N -1 3 363.236 3.282 20 0 FGADHM CC(C)Oc1ncccc1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000501742877 503070919 /nfs/dbraw/zinc/07/09/19/503070919.db2.gz ISBVMEKXIVQNBX-UHFFFAOYSA-N -1 3 365.227 3.267 20 0 FGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@H]1CCCC[C@H]1C(C)(C)C ZINC000506224157 503072670 /nfs/dbraw/zinc/07/26/70/503072670.db2.gz OGGCHYWRHOVLMK-NEPJUHHUSA-N -1 3 359.513 3.418 20 0 FGADHM Brc1c(-c2nc(-c3ccncn3)no2)n[n-]c1-c1ccccc1 ZINC000514064510 503078008 /nfs/dbraw/zinc/07/80/08/503078008.db2.gz YOKFGEKDNUQTPU-UHFFFAOYSA-N -1 3 369.182 3.346 20 0 FGADHM Brc1c(-c2ccccc2)n[n-]c1-c1nc(-c2ccncn2)no1 ZINC000514064510 503078012 /nfs/dbraw/zinc/07/80/12/503078012.db2.gz YOKFGEKDNUQTPU-UHFFFAOYSA-N -1 3 369.182 3.346 20 0 FGADHM O=C(Nc1nc(-c2cccs2)ns1)c1c[n-]nc1-c1ccncc1 ZINC000497979033 503079380 /nfs/dbraw/zinc/07/93/80/503079380.db2.gz BQTTZDCQNKGDAJ-UHFFFAOYSA-N -1 3 354.420 3.304 20 0 FGADHM O=C(Nc1nc(-c2cccs2)ns1)c1cn[n-]c1-c1ccncc1 ZINC000497979033 503079385 /nfs/dbraw/zinc/07/93/85/503079385.db2.gz BQTTZDCQNKGDAJ-UHFFFAOYSA-N -1 3 354.420 3.304 20 0 FGADHM CC[C@H](C)N[C@H](C[N-]S(=O)(=O)c1cccc(C)c1F)c1ccco1 ZINC000510411341 503109448 /nfs/dbraw/zinc/10/94/48/503109448.db2.gz JADDDQYXBQPEOK-UONOGXRCSA-N -1 3 354.447 3.135 20 0 FGADHM Cc1ncc(CNC(=O)Nc2ccc(Oc3ccccc3F)nc2)c(=O)[n-]1 ZINC000490127472 503113897 /nfs/dbraw/zinc/11/38/97/503113897.db2.gz VYSCIFNDSILBNX-UHFFFAOYSA-N -1 3 369.356 3.139 20 0 FGADHM C[C@@H](Sc1ncccc1Cl)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000498133528 503113986 /nfs/dbraw/zinc/11/39/86/503113986.db2.gz ACEVWOMRCXPEDN-SNVBAGLBSA-N -1 3 370.883 3.470 20 0 FGADHM COC(=O)c1ccc(NC(=O)c2c[n-]nc2-c2cccc(Cl)c2)cn1 ZINC000611888951 506352629 /nfs/dbraw/zinc/35/26/29/506352629.db2.gz DLABTQYUNJBOHG-UHFFFAOYSA-N -1 3 356.769 3.164 20 0 FGADHM CC(C)(C)c1ccc(NC(=O)COCCNC(=O)c2ccccc2)c([O-])c1 ZINC000501967470 503117562 /nfs/dbraw/zinc/11/75/62/503117562.db2.gz QIXMKWFMWDJVFI-UHFFFAOYSA-N -1 3 370.449 3.075 20 0 FGADHM CCN1CCC([N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)CC1 ZINC000506545354 503134892 /nfs/dbraw/zinc/13/48/92/503134892.db2.gz JGSIEPSBNJMWDY-UHFFFAOYSA-N -1 3 370.824 3.121 20 0 FGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]CCCOC(F)F ZINC000510584509 503149391 /nfs/dbraw/zinc/14/93/91/503149391.db2.gz NBJLCQHPAAHBTC-UHFFFAOYSA-N -1 3 353.774 3.302 20 0 FGADHM CCn1cc(S(=O)(=O)[N-][C@H](c2ccc(Cl)cc2)C2CC2)nc1C ZINC000502142111 503149533 /nfs/dbraw/zinc/14/95/33/503149533.db2.gz LELFCGFOFXOXRI-INIZCTEOSA-N -1 3 353.875 3.294 20 0 FGADHM O=C(c1c[n-]nc1-c1cccc(Cl)c1)N1C[C@@H](CO)c2ccccc21 ZINC000498284657 503150143 /nfs/dbraw/zinc/15/01/43/503150143.db2.gz ADIBBPQQWSIEKF-ZDUSSCGKSA-N -1 3 353.809 3.466 20 0 FGADHM O=C(c1cn[n-]c1-c1cccc(Cl)c1)N1C[C@@H](CO)c2ccccc21 ZINC000498284657 503150147 /nfs/dbraw/zinc/15/01/47/503150147.db2.gz ADIBBPQQWSIEKF-ZDUSSCGKSA-N -1 3 353.809 3.466 20 0 FGADHM COCCN(C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O)[C@@H]1CCC[C@H]1C ZINC000490343862 503158026 /nfs/dbraw/zinc/15/80/26/503158026.db2.gz NPCAXXKEKMZNJI-BDJLRTHQSA-N -1 3 364.392 3.084 20 0 FGADHM CCC(CC)(C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)OC ZINC000490516256 503187726 /nfs/dbraw/zinc/18/77/26/503187726.db2.gz FMGKLTKRQNXNFW-UHFFFAOYSA-N -1 3 357.369 3.328 20 0 FGADHM O=C(Cc1ccc(Br)cc1[O-])N1CCc2c(F)cccc2C1 ZINC000490541917 503192507 /nfs/dbraw/zinc/19/25/07/503192507.db2.gz KGJDXVQLYKCXCT-UHFFFAOYSA-N -1 3 364.214 3.421 20 0 FGADHM COc1cc(CN[C@@H]2C[C@H](C)n3ccnc32)cc(Br)c1[O-] ZINC000514839699 503205776 /nfs/dbraw/zinc/20/57/76/503205776.db2.gz DNMRNTWQZVABIP-JOYOIKCWSA-N -1 3 352.232 3.155 20 0 FGADHM COc1cc(CN[C@H]2C[C@@H](C)n3ccnc32)cc(Br)c1[O-] ZINC000514839700 503205924 /nfs/dbraw/zinc/20/59/24/503205924.db2.gz DNMRNTWQZVABIP-SKDRFNHKSA-N -1 3 352.232 3.155 20 0 FGADHM COc1nc(NC(=O)COc2ccc(-c3ccccc3)cc2Cl)n[n-]1 ZINC000490684946 503214085 /nfs/dbraw/zinc/21/40/85/503214085.db2.gz RIYUPSQKGXJRLR-UHFFFAOYSA-N -1 3 358.785 3.151 20 0 FGADHM COc1nnc(NC(=O)COc2ccc(-c3ccccc3)cc2Cl)[n-]1 ZINC000490684946 503214087 /nfs/dbraw/zinc/21/40/87/503214087.db2.gz RIYUPSQKGXJRLR-UHFFFAOYSA-N -1 3 358.785 3.151 20 0 FGADHM COc1n[n-]c(NC(=O)COc2ccc(-c3ccccc3)cc2Cl)n1 ZINC000490684946 503214090 /nfs/dbraw/zinc/21/40/90/503214090.db2.gz RIYUPSQKGXJRLR-UHFFFAOYSA-N -1 3 358.785 3.151 20 0 FGADHM O=C(N=c1cc2ccccn2[n-]1)N[C@@H](c1cc(F)ccc1F)C(F)F ZINC000514881037 503218332 /nfs/dbraw/zinc/21/83/32/503218332.db2.gz IGQWFOOOIUESBL-AWEZNQCLSA-N -1 3 352.291 3.162 20 0 FGADHM Cc1c(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)cnn1C1CCCCC1 ZINC000510974056 503228086 /nfs/dbraw/zinc/22/80/86/503228086.db2.gz LVMGXIXLMPMOFR-UHFFFAOYSA-N -1 3 351.414 3.129 20 0 FGADHM Cc1c(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)cnn1C1CCCCC1 ZINC000510974056 503228089 /nfs/dbraw/zinc/22/80/89/503228089.db2.gz LVMGXIXLMPMOFR-UHFFFAOYSA-N -1 3 351.414 3.129 20 0 FGADHM C[C@@H](CC(=O)N=c1cc(OC(F)F)n(C)[n-]1)Cc1ccc(Cl)cc1 ZINC000490926033 503246334 /nfs/dbraw/zinc/24/63/34/503246334.db2.gz KRFGWGSGSHQZFW-SNVBAGLBSA-N -1 3 357.788 3.304 20 0 FGADHM Cn1[n-]c(=NC(=O)c2ccc(OC3CCC3)cc2Cl)cc1OC(F)F ZINC000490942405 503249416 /nfs/dbraw/zinc/24/94/16/503249416.db2.gz QNPPXHOPCVHNML-UHFFFAOYSA-N -1 3 371.771 3.280 20 0 FGADHM Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N=c2cc(OC(F)F)n(C)[n-]2)c1 ZINC000490975225 503253951 /nfs/dbraw/zinc/25/39/51/503253951.db2.gz URVOSGPIYXDLQI-GFCCVEGCSA-N -1 3 367.396 3.281 20 0 FGADHM Cc1noc(-c2ccc(C)c([N-]S(=O)(=O)c3ccc(N(C)C)cc3)c2)n1 ZINC000515030865 503254387 /nfs/dbraw/zinc/25/43/87/503254387.db2.gz FEFBTWSAESNPGL-UHFFFAOYSA-N -1 3 372.450 3.220 20 0 FGADHM COc1cc(=NC(=O)N[C@H]2CCC[C@H](c3cccc(Cl)c3)C2)[n-]n1C ZINC000515039801 503255972 /nfs/dbraw/zinc/25/59/72/503255972.db2.gz VXJDAMIONBZWDS-ZFWWWQNUSA-N -1 3 362.861 3.352 20 0 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ZINC000503238718 503374997 /nfs/dbraw/zinc/37/49/97/503374997.db2.gz BGSYNKCSCWOZIB-UHFFFAOYSA-N -1 3 357.426 3.138 20 0 FGADHM O=C(Nc1cccc(-c2noc(C3CC3)n2)c1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000515669227 503382206 /nfs/dbraw/zinc/38/22/06/503382206.db2.gz XEXBGOOMVYHNDH-UHFFFAOYSA-N -1 3 363.377 3.239 20 0 FGADHM CCOC(=O)C(C)(C)c1csc([N-]C(=O)c2nnc(C(C)C)s2)n1 ZINC000493048048 503403300 /nfs/dbraw/zinc/40/33/00/503403300.db2.gz GYMCNWJBKYNJOI-UHFFFAOYSA-N -1 3 368.484 3.211 20 0 FGADHM COC(=O)c1ccc(C(=O)Nc2cccc(-c3ncc4n3CCCC4)c2)[n-]1 ZINC000507999318 503411065 /nfs/dbraw/zinc/41/10/65/503411065.db2.gz OPSYIRIZWJUTFY-UHFFFAOYSA-N -1 3 364.405 3.253 20 0 FGADHM O=S(=O)([N-]CC1(c2ccccc2)CCCC1)c1cn2c(n1)CCCC2 ZINC000503462991 503415285 /nfs/dbraw/zinc/41/52/85/503415285.db2.gz UDJCIRBKISGXIV-UHFFFAOYSA-N -1 3 359.495 3.010 20 0 FGADHM CCOC(=O)c1ncc([N-]C(=O)c2cnc([C@H](C)OCC)s2)s1 ZINC000499540041 503427658 /nfs/dbraw/zinc/42/76/58/503427658.db2.gz CDHKNRCEMFUULG-QMMMGPOBSA-N -1 3 355.441 3.126 20 0 FGADHM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc3ncsc3c2)c(F)c1 ZINC000508112160 503433687 /nfs/dbraw/zinc/43/36/87/503433687.db2.gz ZDTLITLSJALYEX-UHFFFAOYSA-N -1 3 366.395 3.023 20 0 FGADHM CCC[C@H](NC(C)C)C(=O)N=c1cc(-c2cc(Cl)ccc2OC)[n-][nH]1 ZINC000493640230 503436665 /nfs/dbraw/zinc/43/66/65/503436665.db2.gz HXTPESWFFKEDQQ-AWEZNQCLSA-N -1 3 364.877 3.266 20 0 FGADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)c2ccc3cncn3c2)[nH][n-]1 ZINC000493648127 503438359 /nfs/dbraw/zinc/43/83/59/503438359.db2.gz YQPJPUFKLKWLHY-UHFFFAOYSA-N -1 3 367.796 3.061 20 0 FGADHM C[C@H](CC(=O)[O-])CC(=O)N[C@@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000516087762 503444005 /nfs/dbraw/zinc/44/40/05/503444005.db2.gz AIGSNEFZEAUCRK-YJBOKZPZSA-N -1 3 360.498 3.077 20 0 FGADHM Cn1ncc2c1ncc(C(=O)Nc1ccc(Oc3ccccn3)cc1)c2[O-] ZINC000512068253 503448506 /nfs/dbraw/zinc/44/85/06/503448506.db2.gz JQXLIIBQNBCILY-UHFFFAOYSA-N -1 3 361.361 3.114 20 0 FGADHM Cn1ncc2c1ncc(C(=O)NC1CC(c3cccc(Cl)c3)C1)c2[O-] ZINC000512067275 503448655 /nfs/dbraw/zinc/44/86/55/503448655.db2.gz GRLSHHQKHNGBOS-UHFFFAOYSA-N -1 3 356.813 3.003 20 0 FGADHM C[C@@H](NC(=O)c1cc(F)cc2nn[n-]c21)c1ncc(-c2ccccc2)o1 ZINC000503652715 503451683 /nfs/dbraw/zinc/45/16/83/503451683.db2.gz LLJZUHAIIYSPOC-SNVBAGLBSA-N -1 3 351.341 3.243 20 0 FGADHM C[C@@H](NC(=O)c1cc(F)cc2[n-]nnc21)c1ncc(-c2ccccc2)o1 ZINC000503652715 503451686 /nfs/dbraw/zinc/45/16/86/503451686.db2.gz LLJZUHAIIYSPOC-SNVBAGLBSA-N -1 3 351.341 3.243 20 0 FGADHM C[C@@H](NC(=O)c1cc(F)cc2n[n-]nc21)c1ncc(-c2ccccc2)o1 ZINC000503652715 503451689 /nfs/dbraw/zinc/45/16/89/503451689.db2.gz LLJZUHAIIYSPOC-SNVBAGLBSA-N -1 3 351.341 3.243 20 0 FGADHM Cc1cc(C(=O)NCCOc2ccc(Br)cc2)ccc1[O-] ZINC000499670472 503454568 /nfs/dbraw/zinc/45/45/68/503454568.db2.gz QRNLCDGDDUDEAN-UHFFFAOYSA-N -1 3 350.212 3.272 20 0 FGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]CCN2CCCC[C@H]2C)c1Cl ZINC000516180212 503463894 /nfs/dbraw/zinc/46/38/94/503463894.db2.gz UAZIWLVNZJNZEV-GFCCVEGCSA-N -1 3 365.326 3.455 20 0 FGADHM CC(C)CN1Cc2cccc(NC(=O)c3cc(F)cc4[n-]nnc43)c2C1 ZINC000503715009 503464128 /nfs/dbraw/zinc/46/41/28/503464128.db2.gz GSXGERMJQSVKEX-UHFFFAOYSA-N -1 3 353.401 3.321 20 0 FGADHM CC(C)CN1Cc2cccc(NC(=O)c3cc(F)cc4nn[n-]c43)c2C1 ZINC000503715009 503464132 /nfs/dbraw/zinc/46/41/32/503464132.db2.gz GSXGERMJQSVKEX-UHFFFAOYSA-N -1 3 353.401 3.321 20 0 FGADHM CC(C)CN1Cc2cccc(NC(=O)c3cc(F)cc4n[n-]nc43)c2C1 ZINC000503715009 503464137 /nfs/dbraw/zinc/46/41/37/503464137.db2.gz GSXGERMJQSVKEX-UHFFFAOYSA-N -1 3 353.401 3.321 20 0 FGADHM Cc1cc(C(=O)NCc2cn3cc(Br)ccc3n2)ccc1[O-] ZINC000499776086 503479504 /nfs/dbraw/zinc/47/95/04/503479504.db2.gz BMAFPGXLGNSLCB-UHFFFAOYSA-N -1 3 360.211 3.041 20 0 FGADHM CC(C)(C)[C@H]1C[C@H](NC(=O)Cc2ccc(Br)cc2[O-])CCO1 ZINC000494089247 503485686 /nfs/dbraw/zinc/48/56/86/503485686.db2.gz LJACZVRBQDOPGG-UKRRQHHQSA-N -1 3 370.287 3.407 20 0 FGADHM CO[C@@H](CS(=O)(=O)[N-]c1ccc(-c2csc(C)n2)cc1)C1CC1 ZINC000516288527 503489840 /nfs/dbraw/zinc/48/98/40/503489840.db2.gz JRPQGZGUUMQGQW-INIZCTEOSA-N -1 3 352.481 3.285 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)[C@@H]3C[C@]34CCc3ccccc34)[n-]c21 ZINC000494121893 503491549 /nfs/dbraw/zinc/49/15/49/503491549.db2.gz QXTKSCFWVPZCSA-BTYIYWSLSA-N -1 3 361.401 3.192 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@@H]3C[C@]34CCc3ccccc34)nc21 ZINC000494121893 503491553 /nfs/dbraw/zinc/49/15/53/503491553.db2.gz QXTKSCFWVPZCSA-BTYIYWSLSA-N -1 3 361.401 3.192 20 0 FGADHM CC[C@H](C)[C@@H](C)N(C(=O)C(=O)[N-]c1scc(C)c1C(=O)OC)C1CC1 ZINC000499902768 503506910 /nfs/dbraw/zinc/50/69/10/503506910.db2.gz HSKHBUATYGQJJX-CMPLNLGQSA-N -1 3 366.483 3.207 20 0 FGADHM CCn1cnc(S(=O)(=O)[N-]Cc2ccc(-c3ccccc3)c(C)c2)c1 ZINC000494272373 503517297 /nfs/dbraw/zinc/51/72/97/503517297.db2.gz YMWUHKHTNKZSNX-UHFFFAOYSA-N -1 3 355.463 3.357 20 0 FGADHM Cc1ccccc1-c1cc(=NC(=O)CCc2ccc3c(c2)OCCO3)[nH][n-]1 ZINC000512362659 503527936 /nfs/dbraw/zinc/52/79/36/503527936.db2.gz LNLDAYLJZXZKAS-UHFFFAOYSA-N -1 3 363.417 3.150 20 0 FGADHM CCCN(C(=O)c1ccc2n[n-]nc2c1)[C@H](C)CC(=O)Nc1ccccc1 ZINC000504179861 503535617 /nfs/dbraw/zinc/53/56/17/503535617.db2.gz ZIFVQVGJDCAXGZ-CQSZACIVSA-N -1 3 365.437 3.227 20 0 FGADHM CCn1c(=O)[n-]nc1SCc1cc(Br)cc(F)c1F ZINC000516655156 503561998 /nfs/dbraw/zinc/56/19/98/503561998.db2.gz RPRIBQKRAQRQCZ-UHFFFAOYSA-N -1 3 350.188 3.337 20 0 FGADHM COc1ccc([C@H]2C[C@H](NC(=O)c3c[n-]nc3-c3ccccn3)C2)cc1F ZINC000516692529 503570725 /nfs/dbraw/zinc/57/07/25/503570725.db2.gz VEINAEGWYQLQOY-HDJSIYSDSA-N -1 3 366.396 3.295 20 0 FGADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1csc(CCc2ccccc2)n1 ZINC000500184620 503574193 /nfs/dbraw/zinc/57/41/93/503574193.db2.gz HGZFPZVMGHJQGV-UHFFFAOYSA-N -1 3 367.356 3.318 20 0 FGADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1csc(CCc2ccccc2)n1 ZINC000500184620 503574196 /nfs/dbraw/zinc/57/41/96/503574196.db2.gz HGZFPZVMGHJQGV-UHFFFAOYSA-N -1 3 367.356 3.318 20 0 FGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)NC[C@H]2CCC[C@H]2C)cc1OC ZINC000500219016 503580052 /nfs/dbraw/zinc/58/00/52/503580052.db2.gz KJQMYNMBDMTVPX-CHWSQXEVSA-N -1 3 369.487 3.015 20 0 FGADHM COC(=O)c1c(F)cc([N-]C(=O)c2snnc2C(C)(C)C)cc1F ZINC000512568810 503586270 /nfs/dbraw/zinc/58/62/70/503586270.db2.gz IYCGXZWOBRVDKK-UHFFFAOYSA-N -1 3 355.366 3.153 20 0 FGADHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-]C2CCC(C)(C)CC2)s1 ZINC000608027615 506381734 /nfs/dbraw/zinc/38/17/34/506381734.db2.gz VGCPQUPNHFNVSR-LLVKDONJSA-N -1 3 358.529 3.192 20 0 FGADHM CN(C(=O)Cc1ccc([O-])cc1Cl)[C@H]1CCCN(c2ccccc2)C1=O ZINC000508979122 503611725 /nfs/dbraw/zinc/61/17/25/503611725.db2.gz KTUJAKBIWXFWOR-SFHVURJKSA-N -1 3 372.852 3.242 20 0 FGADHM CC1(C)CN(C(=O)CNC(=O)c2cccc([O-])c2)c2cccc(Cl)c21 ZINC000494833575 503619298 /nfs/dbraw/zinc/61/92/98/503619298.db2.gz DVUYSBHWLGRZOD-UHFFFAOYSA-N -1 3 358.825 3.100 20 0 FGADHM CCCN(C(=O)CNC(=O)c1cccc([O-])c1)[C@H]1CCc2ccccc21 ZINC000494833280 503619300 /nfs/dbraw/zinc/61/93/00/503619300.db2.gz LWTOOYLKSCUCBV-IBGZPJMESA-N -1 3 352.434 3.048 20 0 FGADHM Cc1ccc(C)c(NC(=O)[C@@H](Sc2n[n-]c(CO)n2)c2ccccc2)c1 ZINC000527059684 503662139 /nfs/dbraw/zinc/66/21/39/503662139.db2.gz HXXXONNBNLMSSH-KRWDZBQOSA-N -1 3 368.462 3.386 20 0 FGADHM CCCCS[C@H](C)c1nc(-c2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)no1 ZINC000546238218 503683470 /nfs/dbraw/zinc/68/34/70/503683470.db2.gz MXJSAGWDGGXPOY-ZMZPIMSZSA-N -1 3 374.466 3.386 20 0 FGADHM COc1cccc([C@H]2CN(C(=O)c3cc(=O)[n-]c(C4CC4)n3)CC2(C)C)c1 ZINC000529729844 503687460 /nfs/dbraw/zinc/68/74/60/503687460.db2.gz JIAHOXDSUQNMFO-MRXNPFEDSA-N -1 3 367.449 3.334 20 0 FGADHM Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)cc2)c([O-])c1C ZINC000536704741 503690389 /nfs/dbraw/zinc/69/03/89/503690389.db2.gz FWAZGTHAKJPNOT-UHFFFAOYSA-N -1 3 353.466 3.009 20 0 FGADHM CCN=c1[n-]c(C(=O)N[C@H]2C[C@@H]2c2ccccc2C(F)(F)F)cs1 ZINC000495214323 503701113 /nfs/dbraw/zinc/70/11/13/503701113.db2.gz JOZGYMMXHOXNBQ-PWSUYJOCSA-N -1 3 355.385 3.302 20 0 FGADHM CC[C@@]1(O)CCN(Cc2nc(=O)c3cc(-c4ccccc4)sc3[n-]2)C1 ZINC000495224716 503703776 /nfs/dbraw/zinc/70/37/76/503703776.db2.gz NFXIVTQSHUTNHJ-LJQANCHMSA-N -1 3 355.463 3.411 20 0 FGADHM C[C@@H]1CCC[C@H](c2noc(-c3cnc4c(c3)c(=O)[n-]c(=O)n4C3CC3)n2)C1 ZINC000546352535 503721691 /nfs/dbraw/zinc/72/16/91/503721691.db2.gz PDSHCQADKFZFFS-MNOVXSKESA-N -1 3 367.409 3.176 20 0 FGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)[C@H](C)Oc1ccc2c(c1)CCC2 ZINC000536790834 503723820 /nfs/dbraw/zinc/72/38/20/503723820.db2.gz NBMMAYCTGOEZKL-LBPRGKRZSA-N -1 3 372.421 3.308 20 0 FGADHM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2C(C)C)cn1 ZINC000529851861 503734592 /nfs/dbraw/zinc/73/45/92/503734592.db2.gz IVYSHIJENCNANG-UHFFFAOYSA-N -1 3 367.858 3.019 20 0 FGADHM CC(C)(CC(=O)Nc1ccc(C[C@H]2NC(=O)[N-]C2=O)cc1)C1CCCCC1 ZINC000527251302 503739733 /nfs/dbraw/zinc/73/97/33/503739733.db2.gz BIFYYGRITQJELA-QGZVFWFLSA-N -1 3 371.481 3.372 20 0 FGADHM CCOc1ccccc1[C@H](CC(C)C)NC(=O)NCc1cnc(C)[n-]c1=O ZINC000543365115 503740227 /nfs/dbraw/zinc/74/02/27/503740227.db2.gz RGZJKJMTJTWZEJ-KRWDZBQOSA-N -1 3 372.469 3.476 20 0 FGADHM Cc1ncc(S(=O)(=O)[N-]Cc2ccc(C)cc2OC(C)(C)C)s1 ZINC000533175448 503749792 /nfs/dbraw/zinc/74/97/92/503749792.db2.gz XCGRHGAAKNTKQG-UHFFFAOYSA-N -1 3 354.497 3.416 20 0 FGADHM CC(C)(C)CN(CC1=Nc2ccccc2S(=O)(=O)[N-]1)CC(C)(C)C ZINC000540420945 503765899 /nfs/dbraw/zinc/76/58/99/503765899.db2.gz MVAHKMGBQMHZJX-UHFFFAOYSA-N -1 3 351.516 3.403 20 0 FGADHM CC(C)C(C)(C)C[N-]S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2 ZINC000527327055 503766497 /nfs/dbraw/zinc/76/64/97/503766497.db2.gz FMWZUQXODRVOHC-UHFFFAOYSA-N -1 3 358.891 3.185 20 0 FGADHM CC(C)(C)[C@@H](COc1ccccc1F)NC(=O)c1cccc2nn[n-]c21 ZINC000527356932 503775597 /nfs/dbraw/zinc/77/55/97/503775597.db2.gz AZBLGTFSNTZWHI-MRXNPFEDSA-N -1 3 356.401 3.321 20 0 FGADHM CC(C)(C)[C@@H](COc1ccccc1F)NC(=O)c1cccc2[n-]nnc21 ZINC000527356932 503775600 /nfs/dbraw/zinc/77/56/00/503775600.db2.gz AZBLGTFSNTZWHI-MRXNPFEDSA-N -1 3 356.401 3.321 20 0 FGADHM CC(C)(C)[C@@H](COc1ccccc1F)NC(=O)c1cccc2n[n-]nc21 ZINC000527356932 503775605 /nfs/dbraw/zinc/77/56/05/503775605.db2.gz AZBLGTFSNTZWHI-MRXNPFEDSA-N -1 3 356.401 3.321 20 0 FGADHM CCc1cc(CCCN(CCC(=O)[O-])Cc2ccc(F)c(F)c2)on1 ZINC000517575933 503775931 /nfs/dbraw/zinc/77/59/31/503775931.db2.gz OKXFCPHZHFOZNH-UHFFFAOYSA-N -1 3 352.381 3.425 20 0 FGADHM Cc1cc(CS(=O)(=O)[N-][C@H]2CCCC[C@H]2Oc2cccc(C)c2)on1 ZINC000533252591 503776880 /nfs/dbraw/zinc/77/68/80/503776880.db2.gz HRVQGYZDDKXCIN-ZWKOTPCHSA-N -1 3 364.467 3.101 20 0 FGADHM CN(C(=O)c1cccc2[n-]nnc21)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000527364656 503778842 /nfs/dbraw/zinc/77/88/42/503778842.db2.gz SCXBIDBSTBZCRG-PBHICJAKSA-N -1 3 354.385 3.089 20 0 FGADHM CN(C(=O)c1cccc2nn[n-]c21)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000527364656 503778847 /nfs/dbraw/zinc/77/88/47/503778847.db2.gz SCXBIDBSTBZCRG-PBHICJAKSA-N -1 3 354.385 3.089 20 0 FGADHM CN(C(=O)c1cccc2n[n-]nc21)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000527364656 503778849 /nfs/dbraw/zinc/77/88/49/503778849.db2.gz SCXBIDBSTBZCRG-PBHICJAKSA-N -1 3 354.385 3.089 20 0 FGADHM COc1cccc2c1n[n-]c2C(=O)Nc1ccc2oc(N(C)C)nc2c1 ZINC000517626263 503789645 /nfs/dbraw/zinc/78/96/45/503789645.db2.gz ADTHCFOFZWOSKB-UHFFFAOYSA-N -1 3 351.366 3.031 20 0 FGADHM COc1cccc2c(C(=O)Nc3ccc4oc(N(C)C)nc4c3)n[n-]c21 ZINC000517626263 503789649 /nfs/dbraw/zinc/78/96/49/503789649.db2.gz ADTHCFOFZWOSKB-UHFFFAOYSA-N -1 3 351.366 3.031 20 0 FGADHM COC(=O)c1ccc(CNC(=O)c2cc([O-])c3ccccc3c2)cc1OC ZINC000527458269 503796097 /nfs/dbraw/zinc/79/60/97/503796097.db2.gz GVPCKDFZLXZETI-UHFFFAOYSA-N -1 3 365.385 3.271 20 0 FGADHM O=S(=O)([N-]c1cc(Br)ccc1F)c1ccc2c(c1)COC2 ZINC000517663320 503800696 /nfs/dbraw/zinc/80/06/96/503800696.db2.gz XYCABTCJULEBQM-UHFFFAOYSA-N -1 3 372.215 3.419 20 0 FGADHM Cc1ccccc1-c1cc(=NC(=O)[C@H]2CCCN2C(=O)CC(C)(C)C)[nH][n-]1 ZINC000537120734 503809522 /nfs/dbraw/zinc/80/95/22/503809522.db2.gz FPOCLKJSQHAGAF-QGZVFWFLSA-N -1 3 368.481 3.173 20 0 FGADHM O=C(Cc1csc(-c2cccs2)n1)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000527500652 503813420 /nfs/dbraw/zinc/81/34/20/503813420.db2.gz PNYWDOHTPFKIHL-LBPRGKRZSA-N -1 3 360.464 3.049 20 0 FGADHM Cc1csc(-c2cccc(C(=O)N=c3cc([C@H]4CCCO4)[n-][nH]3)c2)n1 ZINC000527499898 503813615 /nfs/dbraw/zinc/81/36/15/503813615.db2.gz FWBGDIKFWSHOTE-OAHLLOKOSA-N -1 3 354.435 3.367 20 0 FGADHM C[C@]1(C[N-]S(=O)(=O)c2ccccc2C(F)(F)F)CCO[C@@H]1C1CC1 ZINC000546632967 503815686 /nfs/dbraw/zinc/81/56/86/503815686.db2.gz JBBAVFRNLGHPAC-HUUCEWRRSA-N -1 3 363.401 3.189 20 0 FGADHM O=C(Nc1cc(Cl)ccc1[O-])c1cccc(CNc2ccncn2)c1 ZINC000543578850 503818748 /nfs/dbraw/zinc/81/87/48/503818748.db2.gz DEWVLUNGXSIXQQ-UHFFFAOYSA-N -1 3 354.797 3.122 20 0 FGADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000530070446 503823258 /nfs/dbraw/zinc/82/32/58/503823258.db2.gz TUBUAILUXAAZJX-ZENTWMBTSA-N -1 3 369.486 3.109 20 0 FGADHM CSc1nnc(NC(=O)c2cccc(C(=O)N(C)c3ccccc3)c2)[n-]1 ZINC000517811870 503843211 /nfs/dbraw/zinc/84/32/11/503843211.db2.gz JLOCIRUXVHNZRF-UHFFFAOYSA-N -1 3 367.434 3.056 20 0 FGADHM CSc1n[n-]c(NC(=O)c2cccc(C(=O)N(C)c3ccccc3)c2)n1 ZINC000517811870 503843220 /nfs/dbraw/zinc/84/32/20/503843220.db2.gz JLOCIRUXVHNZRF-UHFFFAOYSA-N -1 3 367.434 3.056 20 0 FGADHM CSc1nc(NC(=O)c2cccc(C(=O)N(C)c3ccccc3)c2)n[n-]1 ZINC000517811870 503843228 /nfs/dbraw/zinc/84/32/28/503843228.db2.gz JLOCIRUXVHNZRF-UHFFFAOYSA-N -1 3 367.434 3.056 20 0 FGADHM CCc1cccc(C(=O)Nc2cn(CC)cc(Br)c2=O)c1[O-] ZINC000543669240 503847477 /nfs/dbraw/zinc/84/74/77/503847477.db2.gz NVDLHGBISCULIC-UHFFFAOYSA-N -1 3 365.227 3.151 20 0 FGADHM CC(=O)N1CCc2c1cccc2NC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000546719443 503850365 /nfs/dbraw/zinc/85/03/65/503850365.db2.gz JIOFPCGONNKIRU-UHFFFAOYSA-N -1 3 350.418 3.432 20 0 FGADHM CCN(CC)c1ccc2nc([N-]C(=O)c3noc4c3COCC4)sc2c1 ZINC000527609419 503853732 /nfs/dbraw/zinc/85/37/32/503853732.db2.gz JEGAXQCWECJUIA-UHFFFAOYSA-N -1 3 372.450 3.456 20 0 FGADHM CCCCC1CCC(NC(=O)[C@@H](C)[N-]S(=O)(=O)c2cccs2)CC1 ZINC000517871517 503854867 /nfs/dbraw/zinc/85/48/67/503854867.db2.gz JJUDCNZUXNGXBA-WLYUNCDWSA-N -1 3 372.556 3.280 20 0 FGADHM COc1ccc(CCN(Cc2cnc(C(=O)[O-])cn2)CC(C)(C)C)cc1 ZINC000530163513 503859628 /nfs/dbraw/zinc/85/96/28/503859628.db2.gz ZUGOXBCDQFVRCD-UHFFFAOYSA-N -1 3 357.454 3.274 20 0 FGADHM O=C([O-])c1cccc(OCCN2CCC(Oc3cccc(F)c3)CC2)c1 ZINC000530165377 503859758 /nfs/dbraw/zinc/85/97/58/503859758.db2.gz XSGTUUYKFYQLHQ-UHFFFAOYSA-N -1 3 359.397 3.446 20 0 FGADHM Cc1ncc(S(=O)(=O)[N-][C@@H]2CCCc3cn(C4CCCC4)nc32)s1 ZINC000543735646 503870911 /nfs/dbraw/zinc/87/09/11/503870911.db2.gz HGYLAPDFOSPNFQ-CQSZACIVSA-N -1 3 366.512 3.119 20 0 FGADHM C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000546772864 503873071 /nfs/dbraw/zinc/87/30/71/503873071.db2.gz AMDQEKDOQFLWTB-LLVKDONJSA-N -1 3 369.812 3.368 20 0 FGADHM C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000546772864 503873076 /nfs/dbraw/zinc/87/30/76/503873076.db2.gz AMDQEKDOQFLWTB-LLVKDONJSA-N -1 3 369.812 3.368 20 0 FGADHM CC[C@H](c1n[n-]c(=NC(=O)NCCN2CCCCC2)s1)c1ccccc1 ZINC000518055130 503899651 /nfs/dbraw/zinc/89/96/51/503899651.db2.gz HETIMDHFZDWKSV-INIZCTEOSA-N -1 3 373.526 3.109 20 0 FGADHM CCc1ccc([C@@H](CO)[N-]S(=O)(=O)c2cccc(Cl)c2F)cc1 ZINC000533608652 503901588 /nfs/dbraw/zinc/90/15/88/503901588.db2.gz XSGDCEQKECQMTO-CQSZACIVSA-N -1 3 357.834 3.053 20 0 FGADHM COc1cc(OC)cc(S(=O)(=O)[N-][C@@H](CC(C)(C)C)C(F)(F)F)c1 ZINC000540864617 503918706 /nfs/dbraw/zinc/91/87/06/503918706.db2.gz FEYHZEORIMXGTP-ZDUSSCGKSA-N -1 3 369.405 3.349 20 0 FGADHM CCc1cccc(C(=O)Nc2cccc(N3C(=O)N[C@@H](CC)C3=O)c2)c1[O-] ZINC000530320066 503923791 /nfs/dbraw/zinc/92/37/91/503923791.db2.gz BUPRPFYVRXTBQQ-INIZCTEOSA-N -1 3 367.405 3.042 20 0 FGADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000540894521 503928647 /nfs/dbraw/zinc/92/86/47/503928647.db2.gz VKTHMSSPDTWFLK-MRXNPFEDSA-N -1 3 350.415 3.345 20 0 FGADHM Cc1cc(C(=O)N=c2cc(-c3ccccc3)[n-][nH]2)nn1-c1ccc(F)cc1 ZINC000537496852 503932825 /nfs/dbraw/zinc/93/28/25/503932825.db2.gz UGXZFCOVZAUGRS-UHFFFAOYSA-N -1 3 361.380 3.384 20 0 FGADHM CCc1ccsc1-c1nc(-c2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)no1 ZINC000546941311 503933360 /nfs/dbraw/zinc/93/33/60/503933360.db2.gz GTBIZESYIXRALL-SFHVURJKSA-N -1 3 368.418 3.082 20 0 FGADHM CC(C)CC1(c2nc(-c3cccc([C@@]4(C)NC(=O)[N-]C4=O)c3)no2)CCC1 ZINC000518267757 503939443 /nfs/dbraw/zinc/93/94/43/503939443.db2.gz NRNRNCITOGAUAJ-LJQANCHMSA-N -1 3 368.437 3.259 20 0 FGADHM Cc1cc(C(=O)N2CCN(C(=O)c3cc4occc4s3)CC2)ccc1[O-] ZINC000540928271 503942628 /nfs/dbraw/zinc/94/26/28/503942628.db2.gz NJMUFWVORDUDBH-UHFFFAOYSA-N -1 3 370.430 3.107 20 0 FGADHM Cc1nc(CC2CC2)sc1C(=O)[N-]c1ncn(Cc2ccccc2)n1 ZINC000530444702 503966295 /nfs/dbraw/zinc/96/62/95/503966295.db2.gz XNOJXZHOSCFEPQ-UHFFFAOYSA-N -1 3 353.451 3.296 20 0 FGADHM CCOC(=O)[C@H]([N-]S(=O)(=O)Cc1ccc(C(F)F)cc1)[C@@H](C)CC ZINC000518385488 503970084 /nfs/dbraw/zinc/97/00/84/503970084.db2.gz UTTXYPGFAOCCSY-SMDDNHRTSA-N -1 3 363.426 3.021 20 0 FGADHM CCC(CC)c1noc(-c2ccc(S(=O)(=O)[N-]c3ccncc3)cc2)n1 ZINC000547086109 503978584 /nfs/dbraw/zinc/97/85/84/503978584.db2.gz INFVTXMQGSQHOF-UHFFFAOYSA-N -1 3 372.450 3.258 20 0 FGADHM C[C@H](c1noc(CC[N-]S(=O)(=O)c2ccc(F)c(F)c2)n1)C(C)(C)C ZINC000547145159 503999870 /nfs/dbraw/zinc/99/98/70/503999870.db2.gz VHDHIXOXOBJEMP-SNVBAGLBSA-N -1 3 373.425 3.018 20 0 FGADHM CS(=O)(=O)[N-]c1ccc(-c2noc(/C=C\c3ccc(F)cc3)n2)cc1 ZINC000544081857 504000699 /nfs/dbraw/zinc/00/06/99/504000699.db2.gz MMDCUTSQZLSCTP-WCIBSUBMSA-N -1 3 359.382 3.418 20 0 FGADHM O=C(CCSCc1nc2ccccc2c(=O)[nH]1)Nc1cc(F)ccc1[O-] ZINC000533971305 504004744 /nfs/dbraw/zinc/00/47/44/504004744.db2.gz RQDQAVNWHSAVGW-UHFFFAOYSA-N -1 3 373.409 3.442 20 0 FGADHM CCc1ccc(NC(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)cc1C ZINC000537706993 504012410 /nfs/dbraw/zinc/01/24/10/504012410.db2.gz YAMLBOIKPIDRKN-UHFFFAOYSA-N -1 3 350.415 3.320 20 0 FGADHM Cc1cc(C)c2[n-]cc(C(=O)N3CCC[C@H]3[C@H]3CCCOC3)c(=O)c2c1 ZINC000518540490 504012436 /nfs/dbraw/zinc/01/24/36/504012436.db2.gz OOCWSVMJNXYJRF-YJBOKZPZSA-N -1 3 354.450 3.176 20 0 FGADHM 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/nfs/dbraw/zinc/69/08/75/504690875.db2.gz PFBJPYLEBRJCNB-UHFFFAOYSA-N -1 3 366.259 3.187 20 0 FGADHM O=S(=O)([N-][C@@H]1CCOC2(CCC2)C1)c1csc(-c2ccccc2)n1 ZINC000532609700 504709136 /nfs/dbraw/zinc/70/91/36/504709136.db2.gz BUBBVZRXOJAMGV-CQSZACIVSA-N -1 3 364.492 3.190 20 0 FGADHM O=S(=O)([N-]Cc1cccc(-c2ncc[nH]2)c1)c1cccc(Cl)c1F ZINC000543068036 504711454 /nfs/dbraw/zinc/71/14/54/504711454.db2.gz DYNZGVNQKSUPCP-UHFFFAOYSA-N -1 3 365.817 3.348 20 0 FGADHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC000539843365 504714969 /nfs/dbraw/zinc/71/49/69/504714969.db2.gz YMGIKIMRTOKCJK-CQSZACIVSA-N -1 3 373.497 3.229 20 0 FGADHM COc1ccc(NC(=O)c2n[n-]nc2-c2ccccc2)cc1Br ZINC000549183099 504715936 /nfs/dbraw/zinc/71/59/36/504715936.db2.gz JCZWDZALPXPHAI-UHFFFAOYSA-N -1 3 373.210 3.495 20 0 FGADHM Cn1cc([C@H]2N(C(=O)c3cc([O-])cc(Br)c3)CC2(C)C)cn1 ZINC000529531898 504717372 /nfs/dbraw/zinc/71/73/72/504717372.db2.gz WSLPRVLYIUJFHL-CQSZACIVSA-N -1 3 364.243 3.112 20 0 FGADHM CCc1nccn1C[C@@H]1CCCN1C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000539876808 504724640 /nfs/dbraw/zinc/72/46/40/504724640.db2.gz VBJMIJXIFMGARJ-HNNXBMFYSA-N -1 3 369.465 3.169 20 0 FGADHM Cc1nc(C)c(S(=O)(=O)[N-]CC2(c3ccc(F)cc3F)CC2)s1 ZINC000536414959 504727465 /nfs/dbraw/zinc/72/74/65/504727465.db2.gz ULQZIXAOZDGTLM-UHFFFAOYSA-N -1 3 358.435 3.048 20 0 FGADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N3C4CCC3CC4)cs2)c1 ZINC000546169800 504733281 /nfs/dbraw/zinc/73/32/81/504733281.db2.gz MMBTZYFVNCMSMO-UHFFFAOYSA-N -1 3 371.462 3.105 20 0 FGADHM O=S(=O)([N-]Cc1ccc(OCC2CC2)nc1)c1ccc(Cl)cc1F ZINC000521474697 504744024 /nfs/dbraw/zinc/74/40/24/504744024.db2.gz WNWGBLXBSGQNRX-UHFFFAOYSA-N -1 3 370.833 3.141 20 0 FGADHM O=C(CNC(=O)c1ccc([O-])cc1)N1CCCC[C@H]1c1ccc(F)cc1F ZINC000532770800 504755585 /nfs/dbraw/zinc/75/55/85/504755585.db2.gz SRGKAPJYQDSPOS-SFHVURJKSA-N -1 3 374.387 3.154 20 0 FGADHM O=C(CNC(=O)c1ccc([O-])cc1)N1CCCC[C@@H]1c1ccc(F)cc1F ZINC000532770795 504755633 /nfs/dbraw/zinc/75/56/33/504755633.db2.gz SRGKAPJYQDSPOS-GOSISDBHSA-N -1 3 374.387 3.154 20 0 FGADHM CCOc1ccc(S(=O)(=O)[N-]c2ncccc2Br)cc1C ZINC000532906824 504772427 /nfs/dbraw/zinc/77/24/27/504772427.db2.gz SHHSMBYPECIDSL-UHFFFAOYSA-N -1 3 371.256 3.352 20 0 FGADHM O=C(N[C@H]1CCC[C@@H](c2nc3ccccc3[nH]2)C1)c1ccc2n[n-]nc2c1 ZINC000565027887 504774682 /nfs/dbraw/zinc/77/46/82/504774682.db2.gz BNHBAJGNFCXAST-OCCSQVGLSA-N -1 3 360.421 3.290 20 0 FGADHM O=c1[nH]cccc1[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000562297747 504776371 /nfs/dbraw/zinc/77/63/71/504776371.db2.gz WNIKWBVDOHZYQT-UHFFFAOYSA-N -1 3 368.842 3.420 20 0 FGADHM O=C(Cc1cncc([O-])c1)Nc1ccc(-c2cn3ccsc3n2)cc1 ZINC000552878146 504780156 /nfs/dbraw/zinc/78/01/56/504780156.db2.gz IQKROYDUTLUHGV-UHFFFAOYSA-N -1 3 350.403 3.345 20 0 FGADHM CCc1ccc(S(=O)(=O)[N-]c2cc([C@H]3CCCOC3)n[nH]2)cc1CC ZINC000562315546 504781199 /nfs/dbraw/zinc/78/11/99/504781199.db2.gz WBHWABXJDICIAU-HNNXBMFYSA-N -1 3 363.483 3.229 20 0 FGADHM COC[C@@H](Cc1ccccc1)NC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000549311496 504788961 /nfs/dbraw/zinc/78/89/61/504788961.db2.gz MDMFCHKBMLAAGH-CYBMUJFWSA-N -1 3 353.340 3.399 20 0 FGADHM CC(C)(C)CCOc1cnccc1CNC(=O)c1cccc2nn[n-]c21 ZINC000562359995 504794381 /nfs/dbraw/zinc/79/43/81/504794381.db2.gz PJMFLWZHSYBCLK-UHFFFAOYSA-N -1 3 353.426 3.098 20 0 FGADHM CC(C)(C)CCOc1cnccc1CNC(=O)c1cccc2[n-]nnc21 ZINC000562359995 504794385 /nfs/dbraw/zinc/79/43/85/504794385.db2.gz PJMFLWZHSYBCLK-UHFFFAOYSA-N -1 3 353.426 3.098 20 0 FGADHM CC(C)(C)CCOc1cnccc1CNC(=O)c1cccc2n[n-]nc21 ZINC000562359995 504794388 /nfs/dbraw/zinc/79/43/88/504794388.db2.gz PJMFLWZHSYBCLK-UHFFFAOYSA-N -1 3 353.426 3.098 20 0 FGADHM C[C@H]1CC[C@@H](Sc2nc(C3CC3)nc3c2c(=O)[n-]c(=O)n3C2CC2)C1 ZINC000549339614 504795575 /nfs/dbraw/zinc/79/55/75/504795575.db2.gz PCAAKVBJDLULAC-JOYOIKCWSA-N -1 3 358.467 3.385 20 0 FGADHM CCN(CC)[C@H](CN=c1nc(C(F)(F)F)[n-]s1)Cc1ccccc1 ZINC000552973416 504797030 /nfs/dbraw/zinc/79/70/30/504797030.db2.gz WVVNLWNNLBEMMB-ZDUSSCGKSA-N -1 3 358.433 3.344 20 0 FGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1cccc(-c2ncco2)c1C ZINC000553055783 504815886 /nfs/dbraw/zinc/81/58/86/504815886.db2.gz BEIODKVONDCKJP-UHFFFAOYSA-N -1 3 356.407 3.428 20 0 FGADHM O=C(N[C@H]1CCCOc2c(Cl)cccc21)c1cc(=O)[n-]c(C2CC2)n1 ZINC000565196042 504822519 /nfs/dbraw/zinc/82/25/19/504822519.db2.gz UXWKLZMTQDUNRW-ZDUSSCGKSA-N -1 3 359.813 3.357 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCCC[C@@H]3[C@@H]3CCC[C@@H]3O)nc2)n1 ZINC000556242185 504827206 /nfs/dbraw/zinc/82/72/06/504827206.db2.gz MZRHJLIILXXFIO-KSZLIROESA-N -1 3 368.481 3.327 20 0 FGADHM CC(C)C(C[N-]S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2)C(C)C ZINC000562500772 504838339 /nfs/dbraw/zinc/83/83/39/504838339.db2.gz ZWSQHXZDCMVYBO-UHFFFAOYSA-N -1 3 372.918 3.431 20 0 FGADHM O=S(=O)([N-]Cc1ccc(OC(F)F)c(F)c1)c1ccc(F)c(F)c1 ZINC000549531265 504842712 /nfs/dbraw/zinc/84/27/12/504842712.db2.gz AHLUTMJJNFFZGQ-UHFFFAOYSA-N -1 3 367.295 3.184 20 0 FGADHM COCc1cnc([N-]C(=O)c2cc(-c3ccc4c(c3)CCO4)no2)s1 ZINC000553193229 504849142 /nfs/dbraw/zinc/84/91/42/504849142.db2.gz ODOWSYBNIPGRHL-UHFFFAOYSA-N -1 3 357.391 3.132 20 0 FGADHM O=C(CNC(=O)c1ccc([O-])cc1)N1C[C@H](c2ccccc2)c2ccccc21 ZINC000562539441 504852095 /nfs/dbraw/zinc/85/20/95/504852095.db2.gz POJULXIQBZJIRB-HXUWFJFHSA-N -1 3 372.424 3.301 20 0 FGADHM COc1cc(Br)c(C=Cc2nc(C)cc(=O)[n-]2)cc1OC ZINC000549617736 504861041 /nfs/dbraw/zinc/86/10/41/504861041.db2.gz MQXVOLPFSXTMGW-PLNGDYQASA-N -1 3 351.200 3.441 20 0 FGADHM Cc1ccc(-c2nnc([N-]C(=O)c3cnn4c3OCCC4)s2)c(C)c1 ZINC000559431734 504862503 /nfs/dbraw/zinc/86/25/03/504862503.db2.gz PAHQAXQERWWFNG-UHFFFAOYSA-N -1 3 355.423 3.053 20 0 FGADHM COC(=O)c1nc[n-]c1NC(=O)CCCOc1ccc(C(C)(C)C)cc1 ZINC000549696703 504875818 /nfs/dbraw/zinc/87/58/18/504875818.db2.gz QBESMGBUKUWXTG-UHFFFAOYSA-N -1 3 359.426 3.292 20 0 FGADHM COC(=O)c1[n-]cnc1NC(=O)CCCOc1ccc(C(C)(C)C)cc1 ZINC000549696703 504875823 /nfs/dbraw/zinc/87/58/23/504875823.db2.gz QBESMGBUKUWXTG-UHFFFAOYSA-N -1 3 359.426 3.292 20 0 FGADHM O=C(N=c1cc2ccccn2[n-]1)c1c(F)ccc(Br)c1F ZINC000553332179 504886443 /nfs/dbraw/zinc/88/64/43/504886443.db2.gz OYQJZDBUMWZWMM-UHFFFAOYSA-N -1 3 352.138 3.049 20 0 FGADHM COc1ccc2c(c1)[n-]cc(C(=O)Nc1cccc([C@@H](C)OC)c1)c2=O ZINC000549761482 504891008 /nfs/dbraw/zinc/89/10/08/504891008.db2.gz KPGYLOAWKXMEOX-GFCCVEGCSA-N -1 3 352.390 3.496 20 0 FGADHM COc1ccc2c(c1)ncc(C(=O)Nc1cccc([C@@H](C)OC)c1)c2[O-] ZINC000549761482 504891012 /nfs/dbraw/zinc/89/10/12/504891012.db2.gz KPGYLOAWKXMEOX-GFCCVEGCSA-N -1 3 352.390 3.496 20 0 FGADHM CCO[C@@H]1C[C@H](N(C)C(=O)c2c[n-]c3ccc(C)cc3c2=O)C12CCC2 ZINC000553392123 504901974 /nfs/dbraw/zinc/90/19/74/504901974.db2.gz QCFZDNDAIZOMJB-ZWKOTPCHSA-N -1 3 354.450 3.256 20 0 FGADHM O=c1cc(CN2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)nc(C2CC2)[n-]1 ZINC000562684745 504908583 /nfs/dbraw/zinc/90/85/83/504908583.db2.gz VXSQEMIDHABNBQ-CQSZACIVSA-N -1 3 371.403 3.241 20 0 FGADHM O=C1C[C@@H](NCc2cccc([O-])c2Br)CN1C1CCCCC1 ZINC000562685883 504908673 /nfs/dbraw/zinc/90/86/73/504908673.db2.gz OXYBGDCGQVZYGY-CYBMUJFWSA-N -1 3 367.287 3.178 20 0 FGADHM COc1cccc([C@H]2C[C@@H](C)CN2C(=O)c2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000565548525 504919497 /nfs/dbraw/zinc/91/94/97/504919497.db2.gz IXSWMETWKLXOFT-SJKOYZFVSA-N -1 3 353.422 3.292 20 0 FGADHM COC1([C@@H](C)NC(=O)c2ccc(C(=O)c3cccc([O-])c3)cc2)CCC1 ZINC000562719517 504920723 /nfs/dbraw/zinc/92/07/23/504920723.db2.gz RFBBZUNSDTZFSG-CQSZACIVSA-N -1 3 353.418 3.311 20 0 FGADHM O=S(=O)([N-]C[C@@H]1CC=CCC1)c1c(F)cccc1OC(F)(F)F ZINC000553465372 504921542 /nfs/dbraw/zinc/92/15/42/504921542.db2.gz VZKMXGAAEIXKSA-SNVBAGLBSA-N -1 3 353.337 3.359 20 0 FGADHM Cc1ncc(CNC(=O)N[C@@H]2CC[C@@H](c3ccc(Cl)cc3)C2)c(=O)[n-]1 ZINC000562729892 504924863 /nfs/dbraw/zinc/92/48/63/504924863.db2.gz WKOTUMFNYFXULK-CZUORRHYSA-N -1 3 360.845 3.280 20 0 FGADHM COC(=O)c1cc(C(=O)Nc2cccc(C[S@](=O)C(C)(C)C)c2)c[n-]1 ZINC000559863999 504940512 /nfs/dbraw/zinc/94/05/12/504940512.db2.gz MOKGLXHYLVXLSI-VWLOTQADSA-N -1 3 362.451 3.101 20 0 FGADHM CC(C)SCC[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000553557222 504947797 /nfs/dbraw/zinc/94/77/97/504947797.db2.gz GCXOTIAFXTWVRO-UHFFFAOYSA-N -1 3 356.282 3.008 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]CCSC(C)C)c(Cl)c1Cl ZINC000553560420 504948624 /nfs/dbraw/zinc/94/86/24/504948624.db2.gz NRHHWCZCLXYGAL-UHFFFAOYSA-N -1 3 358.312 3.422 20 0 FGADHM CN(c1ccccc1)c1ccc(CNc2ccc3c(c2)C(=O)[N-]C3=O)cn1 ZINC000559998919 504966844 /nfs/dbraw/zinc/96/68/44/504966844.db2.gz KCZVBUGXZOXIQP-UHFFFAOYSA-N -1 3 358.401 3.345 20 0 FGADHM O=S(=O)([N-][C@H]1CC[C@@H](F)C1)c1cc(Br)cc2cccnc21 ZINC000562874161 504972611 /nfs/dbraw/zinc/97/26/11/504972611.db2.gz VMDJHXIIHOSBSP-NEPJUHHUSA-N -1 3 373.247 3.166 20 0 FGADHM O=C(N=c1cc2ccccn2[n-]1)N1CCC(Cc2ccc(F)cc2)CC1 ZINC000562878812 504973859 /nfs/dbraw/zinc/97/38/59/504973859.db2.gz VBIVOAIVANFXOC-UHFFFAOYSA-N -1 3 352.413 3.382 20 0 FGADHM CC(=O)c1cccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(C)c3C)C2)c1[O-] ZINC000556891568 505008197 /nfs/dbraw/zinc/00/81/97/505008197.db2.gz DCFRQSMCOSBRAB-OAHLLOKOSA-N -1 3 366.417 3.203 20 0 FGADHM O=C(N=c1[nH][n-]cc1Br)c1ccc2ccc(Cl)cc2n1 ZINC000556893115 505009062 /nfs/dbraw/zinc/00/90/62/505009062.db2.gz RPGQIGBKILUBEU-UHFFFAOYSA-N -1 3 351.591 3.048 20 0 FGADHM COC(=O)c1[n-]c(=N[C@@H]2C[C@@H]2c2cccc(Br)c2)sc1C ZINC000565870643 505011444 /nfs/dbraw/zinc/01/14/44/505011444.db2.gz BEUPRHCUQNKRDM-VXGBXAGGSA-N -1 3 367.268 3.391 20 0 FGADHM O=S(=O)([N-][C@H]1C[C@H]1Cc1ccccc1)c1cccnc1C(F)(F)F ZINC000553839246 505022999 /nfs/dbraw/zinc/02/29/99/505022999.db2.gz ISYSSLLRQJJGHM-OLZOCXBDSA-N -1 3 356.369 3.010 20 0 FGADHM COC(=O)c1ccc(C(=O)Nc2ncccc2OCC2CCCCC2)[n-]1 ZINC000550342489 505026511 /nfs/dbraw/zinc/02/65/11/505026511.db2.gz NUTBWYZQHGZWNW-UHFFFAOYSA-N -1 3 357.410 3.408 20 0 FGADHM CC(C)Cc1ccc([C@@H](C[N-]S(=O)(=O)c2ccco2)N(C)C)cc1 ZINC000553913017 505041268 /nfs/dbraw/zinc/04/12/68/505041268.db2.gz ZZUSHOCIIRIQFW-QGZVFWFLSA-N -1 3 350.484 3.059 20 0 FGADHM CCCc1ncc(C[N-]S(=O)(=O)c2csc(-c3ccccc3)n2)o1 ZINC000560316896 505044599 /nfs/dbraw/zinc/04/45/99/505044599.db2.gz SERPKCXTQGOELA-UHFFFAOYSA-N -1 3 363.464 3.229 20 0 FGADHM Cc1ccc(NC(=O)[C@H](C)N2C[C@H](C(=O)[O-])[C@@H](c3ccccc3)C2)cc1C ZINC000563122273 505053309 /nfs/dbraw/zinc/05/33/09/505053309.db2.gz AYNAROKFCPZIEG-DBVUQKKJSA-N -1 3 366.461 3.431 20 0 FGADHM C[C@H](NC(=O)[C@H](C)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1)c1cc2ccccc2o1 ZINC000563124670 505054772 /nfs/dbraw/zinc/05/47/72/505054772.db2.gz JPLLTFFUSBLSOF-HOSILWTGSA-N -1 3 358.438 3.041 20 0 FGADHM CO[C@H](CS(=O)(=O)[N-]c1cccc(NC(=O)c2ccccc2)c1)C1CC1 ZINC000563134922 505057286 /nfs/dbraw/zinc/05/72/86/505057286.db2.gz JFKIKSYBQJEIML-GOSISDBHSA-N -1 3 374.462 3.106 20 0 FGADHM O=C(Nc1ccccc1)[C@@H]([N-]S(=O)(=O)CC1CCC1)c1ccccc1 ZINC000566025882 505058774 /nfs/dbraw/zinc/05/87/74/505058774.db2.gz OFTLWYUTEYRCQH-SFHVURJKSA-N -1 3 358.463 3.086 20 0 FGADHM CC(=O)c1cccc(NC(=O)C2CCC(OC[C@@H]3CCCO3)CC2)c1[O-] ZINC000563196912 505073286 /nfs/dbraw/zinc/07/32/86/505073286.db2.gz XPSQMIUGFHCBLM-GPANFISMSA-N -1 3 361.438 3.288 20 0 FGADHM O=C(Nc1cccc2c1CNC2=O)c1c[n-]nc1-c1cccc(Cl)c1 ZINC000554048578 505075958 /nfs/dbraw/zinc/07/59/58/505075958.db2.gz CMSFAZYTBWDIEV-UHFFFAOYSA-N -1 3 352.781 3.226 20 0 FGADHM Cc1ccc(F)c(Br)c1[N-]S(=O)(=O)CCOCC1CC1 ZINC000566095378 505079027 /nfs/dbraw/zinc/07/90/27/505079027.db2.gz JICUGSUOENYGCP-UHFFFAOYSA-N -1 3 366.252 3.065 20 0 FGADHM COCCCCC[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000563246753 505087444 /nfs/dbraw/zinc/08/74/44/505087444.db2.gz OYIKRYGMMSSZKS-UHFFFAOYSA-N -1 3 370.696 3.198 20 0 FGADHM Cc1nc(C)c(CC(=O)N[C@H]2C[C@H](c3ccccc3)C[C@H](C)C2)c(=O)[n-]1 ZINC000563267343 505091873 /nfs/dbraw/zinc/09/18/73/505091873.db2.gz FVYUUVKHGSBDNF-MORSLUCNSA-N -1 3 353.466 3.430 20 0 FGADHM Cc1cccc(-c2nnc(SCc3cc(=O)[n-]c(C4CC4)n3)n2C)c1 ZINC000563288396 505098144 /nfs/dbraw/zinc/09/81/44/505098144.db2.gz PVIZIEBQKMJHOT-UHFFFAOYSA-N -1 3 353.451 3.456 20 0 FGADHM O=S(=O)(CCOCC1CC1)[N-]c1ccc(OC(F)(F)F)c(Cl)c1 ZINC000566229409 505118673 /nfs/dbraw/zinc/11/86/73/505118673.db2.gz AOPUYWMZQGMCPC-UHFFFAOYSA-N -1 3 373.780 3.407 20 0 FGADHM CCOc1cc(CN[C@H](C)C(=O)NCc2ccccc2)cc(Cl)c1[O-] ZINC000560554779 505124825 /nfs/dbraw/zinc/12/48/25/505124825.db2.gz RGXKTIYJEFQTBC-CYBMUJFWSA-N -1 3 362.857 3.239 20 0 FGADHM O=C(Nc1ccccc1[O-])C1CCN(C(=O)N[C@H](C2CC2)C2CCC2)CC1 ZINC000560554935 505125253 /nfs/dbraw/zinc/12/52/53/505125253.db2.gz DIRVXHGFMXAXQU-IBGZPJMESA-N -1 3 371.481 3.331 20 0 FGADHM Cn1cc(Br)c(=NC(=O)C2(Cc3cccc(Cl)c3)CC2)[n-]1 ZINC000566262451 505126981 /nfs/dbraw/zinc/12/69/81/505126981.db2.gz UDUXIXXQOJXQDQ-UHFFFAOYSA-N -1 3 368.662 3.219 20 0 FGADHM C[C@@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)CN1C(=O)c1csc(=O)[n-]1 ZINC000557439363 505135462 /nfs/dbraw/zinc/13/54/62/505135462.db2.gz UFJCDIXGIRLVAJ-NOZJJQNGSA-N -1 3 372.368 3.470 20 0 FGADHM [O-]c1cccc(CN2CCC(OC[C@@H]3CCOC3)CC2)c1Br ZINC000560603122 505140826 /nfs/dbraw/zinc/14/08/26/505140826.db2.gz 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/nfs/dbraw/zinc/63/11/22/506631122.db2.gz GUFRUKZJIAHKBV-ZJUUUORDSA-N -1 3 353.245 3.031 20 0 FGADHM COc1cc(C(=O)Nc2nnc(SC)[n-]2)ccc1OCCC(C)C ZINC000589694678 506632938 /nfs/dbraw/zinc/63/29/38/506632938.db2.gz SWOXSSVESWLPOU-UHFFFAOYSA-N -1 3 350.444 3.212 20 0 FGADHM COc1cc(C(=O)Nc2nc(SC)n[n-]2)ccc1OCCC(C)C ZINC000589694678 506632944 /nfs/dbraw/zinc/63/29/44/506632944.db2.gz SWOXSSVESWLPOU-UHFFFAOYSA-N -1 3 350.444 3.212 20 0 FGADHM COc1cc(C(=O)Nc2n[n-]c(SC)n2)ccc1OCCC(C)C ZINC000589694678 506632948 /nfs/dbraw/zinc/63/29/48/506632948.db2.gz SWOXSSVESWLPOU-UHFFFAOYSA-N -1 3 350.444 3.212 20 0 FGADHM CCOC(=O)c1cccc(N(CC)C(=O)c2ccc(C(C)=O)c([O-])c2)c1 ZINC000596878274 506651596 /nfs/dbraw/zinc/65/15/96/506651596.db2.gz CXHIDYIJUSKZBA-UHFFFAOYSA-N -1 3 355.390 3.438 20 0 FGADHM CO[C@@H](C(=O)NCc1ccc([O-])c(Br)c1)C1CCCCC1 ZINC000612643135 506666854 /nfs/dbraw/zinc/66/68/54/506666854.db2.gz MKOFSZGQOZCLEA-OAHLLOKOSA-N -1 3 356.260 3.366 20 0 FGADHM COC(=O)c1cc(Cl)cc(NC(=O)C2(c3ccccc3)CC(=O)C2)c1[O-] ZINC000589870116 506668360 /nfs/dbraw/zinc/66/83/60/506668360.db2.gz UHPOVHMNAZNYNQ-UHFFFAOYSA-N -1 3 373.792 3.072 20 0 FGADHM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)c2ccsc2)c(F)c1 ZINC000593591766 506695710 /nfs/dbraw/zinc/69/57/10/506695710.db2.gz NBIUPTVHTPQZLC-SNVBAGLBSA-N -1 3 357.428 3.103 20 0 FGADHM CCOC(=O)c1cc(COC)cc([N-]C(=O)c2ocnc2C(F)F)c1 ZINC000599969070 506731371 /nfs/dbraw/zinc/73/13/71/506731371.db2.gz RIZVQZITYAALSV-UHFFFAOYSA-N -1 3 354.309 3.188 20 0 FGADHM CSc1ccc([O-])c(C(=O)N2CCC[C@]2(C)C(=O)OC(C)(C)C)c1 ZINC000600137328 506797369 /nfs/dbraw/zinc/79/73/69/506797369.db2.gz BBRBNICHHOBGMU-GOSISDBHSA-N -1 3 351.468 3.451 20 0 FGADHM CCCc1nc(C)c(C(=O)Nc2cc(Cl)cc(C(=O)OC)c2[O-])o1 ZINC000590378918 506806915 /nfs/dbraw/zinc/80/69/15/506806915.db2.gz PKUBZZYLNKTJAY-UHFFFAOYSA-N -1 3 352.774 3.333 20 0 FGADHM CCc1cc(C(=O)N2CCC(c3ncc(C(=O)OC)s3)CC2)ccc1[O-] ZINC000600274612 506883444 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CCOC(=O)c1ccc(NC(=O)C2(C(=O)OC(C)(C)C)CCC2)c([O-])c1 ZINC000597442700 506955879 /nfs/dbraw/zinc/95/58/79/506955879.db2.gz YAKPVVKOKHMVSY-UHFFFAOYSA-N -1 3 363.410 3.019 20 0 FGADHM COc1cccc2c(C(=O)Nc3ccc(NC(=O)C4CC4)cc3)[n-]nc21 ZINC000583779353 506967756 /nfs/dbraw/zinc/96/77/56/506967756.db2.gz OVAHGQCIMNNJFT-UHFFFAOYSA-N -1 3 350.378 3.172 20 0 FGADHM COc1cccc2c(C(=O)Nc3ccc(NC(=O)C4CC4)cc3)n[n-]c21 ZINC000583779353 506967761 /nfs/dbraw/zinc/96/77/61/506967761.db2.gz OVAHGQCIMNNJFT-UHFFFAOYSA-N -1 3 350.378 3.172 20 0 FGADHM CC(C)CC(CC(C)C)C(=O)Nc1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000583792717 506976235 /nfs/dbraw/zinc/97/62/35/506976235.db2.gz HOUTYTGJGVCUHN-FQEVSTJZSA-N -1 3 359.470 3.388 20 0 FGADHM Cc1cc2ncc(C(=O)N=c3cc(-c4cc(C)cc(C)c4)[n-][nH]3)c(C)n2n1 ZINC000604901181 506983144 /nfs/dbraw/zinc/98/31/44/506983144.db2.gz MWQPUPPWNLTPOU-UHFFFAOYSA-N -1 3 360.421 3.027 20 0 FGADHM c1ccc(-c2nc(SCCCOc3ccc4c(c3)OCO4)n[n-]2)nc1 ZINC000604932993 506993132 /nfs/dbraw/zinc/99/31/32/506993132.db2.gz LFFLHONSOVRVPZ-UHFFFAOYSA-N -1 3 356.407 3.157 20 0 FGADHM COc1ccc(C(=O)[C@H](C)Sc2n[n-]c(-c3ccccn3)n2)cc1OC ZINC000604932910 506993272 /nfs/dbraw/zinc/99/32/72/506993272.db2.gz ADRTYFMQGXDZKK-NSHDSACASA-N -1 3 370.434 3.247 20 0 FGADHM O=C(Nc1cccc(OCC(F)(F)F)c1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000583821889 506993842 /nfs/dbraw/zinc/99/38/42/506993842.db2.gz WMERWFATGZGKLX-UHFFFAOYSA-N -1 3 353.300 3.253 20 0 FGADHM Cc1ccc([O-])c(NC(=O)c2ccc(OCC(=O)OC(C)(C)C)cc2)n1 ZINC000597578787 507016842 /nfs/dbraw/zinc/01/68/42/507016842.db2.gz GZBVFUMQGHYKRC-UHFFFAOYSA-N -1 3 358.394 3.068 20 0 FGADHM CCN(Cc1ccc(OC)cc1)[C@@H](C(=O)[O-])c1cc(OC)cc(OC)c1 ZINC000583877498 507024171 /nfs/dbraw/zinc/02/41/71/507024171.db2.gz MONCYYQSKGSFSJ-LJQANCHMSA-N -1 3 359.422 3.360 20 0 FGADHM CC[C@@H]1CN(C)CCN1Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000583930815 507055549 /nfs/dbraw/zinc/05/55/49/507055549.db2.gz UIPSQUZFUXUCLU-GFCCVEGCSA-N -1 3 358.467 3.183 20 0 FGADHM 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/nfs/dbraw/zinc/16/87/71/507168771.db2.gz XVNASSWINCSZQS-OAHLLOKOSA-N -1 3 365.476 3.354 20 0 FGADHM CSc1ccc([O-])c(C(=O)NCc2cc(COC(C)(C)C)on2)c1 ZINC000613647443 507198728 /nfs/dbraw/zinc/19/87/28/507198728.db2.gz LDPBOPCXVADOIV-UHFFFAOYSA-N -1 3 350.440 3.347 20 0 FGADHM CC1(C)CN(C(=O)C2CC2)CCN1Cc1cc([O-])cc(C(F)(F)F)c1 ZINC000584204552 507210129 /nfs/dbraw/zinc/21/01/29/507210129.db2.gz PWVBXAOVUDFQNF-UHFFFAOYSA-N -1 3 356.388 3.244 20 0 FGADHM O=C(Cc1cncc([O-])c1)Nc1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000613684491 507214649 /nfs/dbraw/zinc/21/46/49/507214649.db2.gz JDIOFBBARYXDGJ-GFCCVEGCSA-N -1 3 362.813 3.037 20 0 FGADHM COC(=O)c1c(C)nc(=O)[n-]c1SCc1csc(-c2ccccn2)n1 ZINC000591358402 507218055 /nfs/dbraw/zinc/21/80/55/507218055.db2.gz YENAKUFSDIQGBG-UHFFFAOYSA-N -1 3 374.447 3.088 20 0 FGADHM Cc1nc(C2([N-]S(=O)(=O)c3ccc(C)cc3F)CCCCCC2)no1 ZINC000591387723 507230457 /nfs/dbraw/zinc/23/04/57/507230457.db2.gz YCHZETPHHWQPBC-UHFFFAOYSA-N -1 3 367.446 3.354 20 0 FGADHM Cc1ccccc1-c1cc(=NC(=O)CCCc2ccc3c(c2)CC(=O)N3)[nH][n-]1 ZINC000591450106 507253656 /nfs/dbraw/zinc/25/36/56/507253656.db2.gz LVICQZSTGYTKER-UHFFFAOYSA-N -1 3 374.444 3.263 20 0 FGADHM COc1ccccc1-c1cc(=NC(=O)c2cc(=O)[nH]c3ccccc32)[nH][n-]1 ZINC000591449888 507254261 /nfs/dbraw/zinc/25/42/61/507254261.db2.gz YKBZLYHDQYQCPG-UHFFFAOYSA-N -1 3 360.373 3.013 20 0 FGADHM Cc1ccc(C(=O)Nc2cc(I)ccc2[O-])c(C)n1 ZINC000610490769 507260063 /nfs/dbraw/zinc/26/00/63/507260063.db2.gz INGWJBTZIVNZIJ-UHFFFAOYSA-N -1 3 368.174 3.261 20 0 FGADHM O=S(=O)([N-][C@@H](CCCc1ccccc1)c1ccccc1)c1c[nH]cn1 ZINC000605773948 507283482 /nfs/dbraw/zinc/28/34/82/507283482.db2.gz XZXVINHJYKWXKZ-SFHVURJKSA-N -1 3 355.463 3.452 20 0 FGADHM COc1ccccc1-c1cc(=NC(=O)c2c[nH]c(-c3ccccc3)n2)[nH][n-]1 ZINC000605884176 507294908 /nfs/dbraw/zinc/29/49/08/507294908.db2.gz XKSQEQYEBWCHQH-UHFFFAOYSA-N -1 3 359.389 3.150 20 0 FGADHM COC(=O)[C@@H](C)[C@@H]([N-]S(=O)(=O)c1ccc(C(F)F)o1)c1ccccc1 ZINC000601363719 507344054 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Cc1cn2cc([N-]S(=O)(=O)c3cccc(Br)c3)ccc2n1 ZINC000606753141 507498471 /nfs/dbraw/zinc/49/84/71/507498471.db2.gz SWTOALWYQLDSOQ-UHFFFAOYSA-N -1 3 366.240 3.206 20 0 FGADHM Cc1cc(=O)[n-]c(C(C)(C)NCCOc2ccc(OC(F)(F)F)cc2)n1 ZINC000595517925 507541478 /nfs/dbraw/zinc/54/14/78/507541478.db2.gz GTMMRSKDVSPRFT-UHFFFAOYSA-N -1 3 371.359 3.293 20 0 FGADHM CC(=O)c1ccc(C(=O)N[C@@]2(Cc3ccc(Cl)cc3)CCOC2)cc1[O-] ZINC000614498508 507542737 /nfs/dbraw/zinc/54/27/37/507542737.db2.gz KCRCJQMUIDMEEF-HXUWFJFHSA-N -1 3 373.836 3.380 20 0 FGADHM COC(=O)c1sc([N-]C(=O)c2cc(OC)ns2)nc1C1CCCC1 ZINC000598694562 507557265 /nfs/dbraw/zinc/55/72/65/507557265.db2.gz GRNHGNIQIXCNEB-UHFFFAOYSA-N -1 3 367.452 3.305 20 0 FGADHM Cn1nc(C(=O)[O-])cc1CNCCSCc1ccc(Cl)cc1Cl ZINC000602068421 507578651 /nfs/dbraw/zinc/57/86/51/507578651.db2.gz VTEVTISNAZETAG-UHFFFAOYSA-N -1 3 374.293 3.448 20 0 FGADHM CCCCc1nc(C(=O)OCC)c(NC(=O)c2c(Cl)cnn2CC)[n-]1 ZINC000598832831 507627880 /nfs/dbraw/zinc/62/78/80/507627880.db2.gz SLSCLMFMMWILNQ-UHFFFAOYSA-N -1 3 367.837 3.051 20 0 FGADHM CCCCc1nc(NC(=O)c2c(Cl)cnn2CC)c(C(=O)OCC)[n-]1 ZINC000598832831 507627885 /nfs/dbraw/zinc/62/78/85/507627885.db2.gz SLSCLMFMMWILNQ-UHFFFAOYSA-N -1 3 367.837 3.051 20 0 FGADHM O=C1Nc2ccc(S(=O)(=O)[N-]c3cc(F)ccc3F)c3cccc1c23 ZINC000614736917 507640844 /nfs/dbraw/zinc/64/08/44/507640844.db2.gz SUYKQIGNSDWKQD-UHFFFAOYSA-N -1 3 360.341 3.485 20 0 FGADHM C[C@H](CSCCNCc1cc(Cl)ccc1OC(F)F)C(=O)[O-] ZINC000592462427 507666055 /nfs/dbraw/zinc/66/60/55/507666055.db2.gz UTGZIYNBHXOULG-SECBINFHSA-N -1 3 353.818 3.485 20 0 FGADHM Cc1ccc(Nc2ccccc2C(=O)NCCCc2cc(=O)[nH][n-]2)cc1 ZINC000614921983 507695281 /nfs/dbraw/zinc/69/52/81/507695281.db2.gz LJQFMGPSJGJGBB-UHFFFAOYSA-N -1 3 350.422 3.125 20 0 FGADHM Cn1[nH]c(=NC(=O)c2cc3cc(Br)sc3[n-]2)cc1C1CC1 ZINC000614983565 507714034 /nfs/dbraw/zinc/71/40/34/507714034.db2.gz FFCSVTFVHYJGOF-UHFFFAOYSA-N -1 3 365.256 3.277 20 0 FGADHM CCc1noc(CC)c1CC(=O)Nc1cc(Cl)cc(C(=O)OC)c1[O-] ZINC000588095470 507759721 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O=C(N=c1cc(-c2ccncc2)[n-][nH]1)[C@@H]1COc2ccc(Cl)cc2C1 ZINC000502976800 514865890 /nfs/dbraw/zinc/86/58/90/514865890.db2.gz BOKQOLGIPMGIAF-ZDUSSCGKSA-N -1 3 354.797 3.315 20 0 FGADHM Cc1cc(NC(=O)c2cc(F)cc3[n-]nnc32)nn1-c1ccc(C)cc1 ZINC000503554912 515079847 /nfs/dbraw/zinc/07/98/47/515079847.db2.gz VXMMJPJLTUEQLG-UHFFFAOYSA-N -1 3 350.357 3.152 20 0 FGADHM Cc1cc(NC(=O)c2cc(F)cc3nn[n-]c32)nn1-c1ccc(C)cc1 ZINC000503554912 515079857 /nfs/dbraw/zinc/07/98/57/515079857.db2.gz VXMMJPJLTUEQLG-UHFFFAOYSA-N -1 3 350.357 3.152 20 0 FGADHM Cc1cc(NC(=O)c2cc(F)cc3n[n-]nc32)nn1-c1ccc(C)cc1 ZINC000503554912 515079867 /nfs/dbraw/zinc/07/98/67/515079867.db2.gz VXMMJPJLTUEQLG-UHFFFAOYSA-N -1 3 350.357 3.152 20 0 FGADHM Cn1[n-]c(=NC(=O)c2ccc(Cl)c3ncccc23)cc1OC(F)F ZINC000509343944 515132389 /nfs/dbraw/zinc/13/23/89/515132389.db2.gz LFZRQPUJEUVUIB-UHFFFAOYSA-N -1 3 352.728 3.475 20 0 FGADHM CSc1ccc(O[C@@H](C)C(=O)N=c2cc(OC(F)F)n(C)[n-]2)cc1 ZINC000490940841 515336888 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CCN=c1[n-]c(C(=O)NCc2ccc(OCC(F)(F)F)cc2)cs1 ZINC000478482788 515843244 /nfs/dbraw/zinc/84/32/44/515843244.db2.gz SKDCOJAYVHNUAN-UHFFFAOYSA-N -1 3 359.373 3.446 20 0 FGADHM CC(=O)c1ccc(CC(=O)N=c2cc3ccc(Br)cn3[n-]2)cc1 ZINC000511391218 515888226 /nfs/dbraw/zinc/88/82/26/515888226.db2.gz NATPUDMHOMIVOQ-UHFFFAOYSA-N -1 3 372.222 3.481 20 0 FGADHM COc1c(CNC(=O)N=c2cc(OC(F)F)n(C)[n-]2)oc2ccccc21 ZINC000474824838 516206678 /nfs/dbraw/zinc/20/66/78/516206678.db2.gz IJYZFILAKRCTNH-UHFFFAOYSA-N -1 3 366.324 3.098 20 0 FGADHM O=C(CCc1nc(-c2ccncc2)no1)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000519998392 517255863 /nfs/dbraw/zinc/25/58/63/517255863.db2.gz BZPWLCUFQMJBCW-UHFFFAOYSA-N -1 3 360.377 3.093 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@@H]2CCCc3nn(C)cc32)c1-c1ccccc1F ZINC000530276880 517673203 /nfs/dbraw/zinc/67/32/03/517673203.db2.gz WVNWKJXADAAAOO-GFCCVEGCSA-N -1 3 353.401 3.316 20 0 FGADHM Cc1nn(-c2ccccc2)c(C)c1CC(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000527498979 517711142 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20 0 FGADHM Cn1cc(I)c(=NC(=O)C(C2CCC2)C2CCC2)[n-]1 ZINC000602391583 521316608 /nfs/dbraw/zinc/31/66/08/521316608.db2.gz VBYMRUQZMKNING-UHFFFAOYSA-N -1 3 373.238 3.180 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)C2CCN(C(=O)C(C)C)CC2)c1-c1ccccc1 ZINC000623490979 522062822 /nfs/dbraw/zinc/06/28/22/522062822.db2.gz WBDHTXKQBANLGA-UHFFFAOYSA-N -1 3 354.454 3.218 20 0 FGADHM COc1cccc(-c2c(C)[n-][nH]c2=NC(=O)[C@@H]2CCc3cnc(C)n3C2)c1 ZINC000629692885 522398025 /nfs/dbraw/zinc/39/80/25/522398025.db2.gz ULRWCDLLNXJDLQ-OAHLLOKOSA-N -1 3 365.437 3.100 20 0 FGADHM COc1cccc(-c2c(C)[n-][nH]c2=NC(=O)[C@H](C)OC[C@@H]2CCCCO2)c1 ZINC000629693830 522398295 /nfs/dbraw/zinc/39/82/95/522398295.db2.gz ONRROKZMXSQUHH-YOEHRIQHSA-N -1 3 373.453 3.306 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@H](C)NC(=O)CC(C)(C)C)c1-c1ccc(F)cc1 ZINC000630028872 522591508 /nfs/dbraw/zinc/59/15/08/522591508.db2.gz XEBGFWAWVWHTHL-LBPRGKRZSA-N -1 3 360.433 3.404 20 0 FGADHM Cc1cc(C)c2ncc(C(=O)N=c3cc(C4CCOCC4)[nH][nH]3)c([O-])c2c1 ZINC000483146218 561268661 /nfs/dbraw/zinc/26/86/61/561268661.db2.gz WURZRWICFBKZSL-UHFFFAOYSA-N -1 3 366.421 3.014 20 0 FGADHM CCc1[n-][nH]c(=NC(=O)c2cc(Br)c(C)nc2OC)c1C ZINC000486195746 561340665 /nfs/dbraw/zinc/34/06/65/561340665.db2.gz UMFQRQPNIJIRFQ-UHFFFAOYSA-N -1 3 353.220 3.007 20 0 FGADHM CC(C)Cn1ncc(C(=O)N=c2cc(OC(F)F)n(C)[n-]2)c1C1CC1 ZINC000490970684 561441108 /nfs/dbraw/zinc/44/11/08/561441108.db2.gz JYDFDVGYEQZNLF-UHFFFAOYSA-N -1 3 353.373 3.004 20 0 FGADHM Cc1cc(C)c(C(=O)N=c2cc3ccc(Br)cn3[n-]2)c(=O)[nH]1 ZINC000511315570 561865034 /nfs/dbraw/zinc/86/50/34/561865034.db2.gz OADJCQFRNSFOJU-UHFFFAOYSA-N -1 3 361.199 3.067 20 0 FGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)[C@H]1CCC(=O)c2cccn21 ZINC000511355053 561866389 /nfs/dbraw/zinc/86/63/89/561866389.db2.gz KHTRHSZOCZWODF-CYBMUJFWSA-N -1 3 373.210 3.055 20 0 FGADHM Cc1cc(C)cc(-c2cc(=NC(=O)[C@@H](C)NC(=O)c3ccoc3)[nH][n-]2)c1 ZINC000512545516 561908822 /nfs/dbraw/zinc/90/88/22/561908822.db2.gz OZRYDMCGWQQDHC-CYBMUJFWSA-N -1 3 352.394 3.044 20 0 FGADHM O=C(N=c1cc(-c2ccccc2)[n-][nH]1)[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000519067781 562124363 /nfs/dbraw/zinc/12/43/63/562124363.db2.gz VLJWPJQAWCQISE-KRWDZBQOSA-N -1 3 360.417 3.064 20 0 FGADHM Cc1c(C(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)nnn1-c1ccccc1Cl ZINC000525967028 562261527 /nfs/dbraw/zinc/26/15/27/562261527.db2.gz LOXKZPZWVUGJOH-CQSZACIVSA-N -1 3 372.816 3.056 20 0 FGADHM CN(C)[C@H](CNC(=O)c1csc(=NC2CC2)[n-]1)c1c(F)cccc1F ZINC000476594018 561123625 /nfs/dbraw/zinc/12/36/25/561123625.db2.gz HXXGPQDAFGEIQK-CQSZACIVSA-N -1 3 366.437 3.028 20 0 FGADHM O=C(N=c1cc([C@@H]2CCCOC2)[nH][nH]1)c1cc([O-])cc(Br)c1 ZINC000529220328 562365418 /nfs/dbraw/zinc/36/54/18/562365418.db2.gz CEZWBNWSAISFIR-SECBINFHSA-N -1 3 366.215 3.024 20 0 FGADHM O=S(=O)(Cc1ccc(F)c(F)c1)c1nc(CCC2CCCC2)n[n-]1 ZINC000522771844 568117201 /nfs/dbraw/zinc/11/72/01/568117201.db2.gz XHXOAZUGERJHHD-UHFFFAOYSA-N -1 3 355.410 3.180 20 0 FGADHM O=S(=O)(Cc1ccc(F)c(F)c1)c1nnc(CCC2CCCC2)[n-]1 ZINC000522771844 568117202 /nfs/dbraw/zinc/11/72/02/568117202.db2.gz XHXOAZUGERJHHD-UHFFFAOYSA-N -1 3 355.410 3.180 20 0 FGADHM CC[C@@H](C)C[C@H]1NC(=O)N(c2ccc(-c3cc(=O)[n-]c(C)n3)cc2)C1=O ZINC000563142850 568291145 /nfs/dbraw/zinc/29/11/45/568291145.db2.gz PYOKXPYBWSPEHW-BDJLRTHQSA-N -1 3 354.410 3.019 20 0 FGADHM CC(C)(C)NC(=S)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000735622882 598827233 /nfs/dbraw/zinc/82/72/33/598827233.db2.gz HWQKAYBJRPBZRW-UHFFFAOYSA-N -1 3 372.523 3.358 20 0 FGADHM Cc1cccc([C@H](C)C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)c1 ZINC000737384972 598830029 /nfs/dbraw/zinc/83/00/29/598830029.db2.gz OSTXOGLRWCQMSC-HNNXBMFYSA-N -1 3 361.449 3.470 20 0 FGADHM Cc1cccc([C@H](C)C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)c1 ZINC000737384972 598830031 /nfs/dbraw/zinc/83/00/31/598830031.db2.gz OSTXOGLRWCQMSC-HNNXBMFYSA-N -1 3 361.449 3.470 20 0 FGADHM Cc1cc2cc(N[C@H](C)C(=O)Nc3ccccc3-c3nnn[n-]3)ccc2[nH]1 ZINC000737285327 598836921 /nfs/dbraw/zinc/83/69/21/598836921.db2.gz QLXBJTDWALCFCQ-GFCCVEGCSA-N -1 3 361.409 3.096 20 0 FGADHM Cc1cc2cc(N[C@H](C)C(=O)Nc3ccccc3-c3nn[n-]n3)ccc2[nH]1 ZINC000737285327 598836923 /nfs/dbraw/zinc/83/69/23/598836923.db2.gz QLXBJTDWALCFCQ-GFCCVEGCSA-N -1 3 361.409 3.096 20 0 FGADHM CCOc1cc(C(=O)OCc2cc(-c3nnn[n-]3)ccc2F)ccc1C ZINC000736626209 598849150 /nfs/dbraw/zinc/84/91/50/598849150.db2.gz QCQVYMISNAYYBX-UHFFFAOYSA-N -1 3 356.357 3.070 20 0 FGADHM CCOc1cc(C(=O)OCc2cc(-c3nn[n-]n3)ccc2F)ccc1C ZINC000736626209 598849153 /nfs/dbraw/zinc/84/91/53/598849153.db2.gz QCQVYMISNAYYBX-UHFFFAOYSA-N -1 3 356.357 3.070 20 0 FGADHM COc1cc(C)c(NC(=O)Nc2cc(-c3nnn[n-]3)ccc2C)cc1OC ZINC000737040997 598851000 /nfs/dbraw/zinc/85/10/00/598851000.db2.gz SFOWAFXPGWGJSF-UHFFFAOYSA-N -1 3 368.397 3.145 20 0 FGADHM COc1cc(C)c(NC(=O)Nc2cc(-c3nn[n-]n3)ccc2C)cc1OC ZINC000737040997 598851001 /nfs/dbraw/zinc/85/10/01/598851001.db2.gz SFOWAFXPGWGJSF-UHFFFAOYSA-N -1 3 368.397 3.145 20 0 FGADHM CCC[C@@H](CC1CCCC1)C(=O)OCCNc1ncccc1-c1nnn[n-]1 ZINC000736423580 598857095 /nfs/dbraw/zinc/85/70/95/598857095.db2.gz UIARYWIIXNIZKT-HNNXBMFYSA-N -1 3 372.473 3.213 20 0 FGADHM CCC[C@@H](CC1CCCC1)C(=O)OCCNc1ncccc1-c1nn[n-]n1 ZINC000736423580 598857097 /nfs/dbraw/zinc/85/70/97/598857097.db2.gz UIARYWIIXNIZKT-HNNXBMFYSA-N -1 3 372.473 3.213 20 0 FGADHM COC(=O)[C@H](N[C@H](C)c1ccccc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000736898710 598857584 /nfs/dbraw/zinc/85/75/84/598857584.db2.gz WJUWMVUZDKZSDA-BDJLRTHQSA-N -1 3 371.828 3.085 20 0 FGADHM COC(=O)[C@H](N[C@H](C)c1ccccc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000736898710 598857586 /nfs/dbraw/zinc/85/75/86/598857586.db2.gz WJUWMVUZDKZSDA-BDJLRTHQSA-N -1 3 371.828 3.085 20 0 FGADHM c1cc(OCCCCc2nc(C3CCCC3)no2)cc(-c2nnn[n-]2)c1 ZINC000738417799 598859185 /nfs/dbraw/zinc/85/91/85/598859185.db2.gz CUAQGUYJZDTKPJ-UHFFFAOYSA-N -1 3 354.414 3.309 20 0 FGADHM c1cc(OCCCCc2nc(C3CCCC3)no2)cc(-c2nn[n-]n2)c1 ZINC000738417799 598859186 /nfs/dbraw/zinc/85/91/86/598859186.db2.gz CUAQGUYJZDTKPJ-UHFFFAOYSA-N -1 3 354.414 3.309 20 0 FGADHM Cc1ccc2oc(SCC(=O)Nc3ccc(-c4nnn[n-]4)cc3)nc2c1 ZINC000737379990 598861916 /nfs/dbraw/zinc/86/19/16/598861916.db2.gz JHVGCDOTGOMZRF-UHFFFAOYSA-N -1 3 366.406 3.047 20 0 FGADHM Cc1ccc2oc(SCC(=O)Nc3ccc(-c4nn[n-]n4)cc3)nc2c1 ZINC000737379990 598861918 /nfs/dbraw/zinc/86/19/18/598861918.db2.gz JHVGCDOTGOMZRF-UHFFFAOYSA-N -1 3 366.406 3.047 20 0 FGADHM CCN(C(=O)c1cc(C(C)C)no1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736506081 598863117 /nfs/dbraw/zinc/86/31/17/598863117.db2.gz QMIIMKBHIQADGZ-GFCCVEGCSA-N -1 3 354.414 3.201 20 0 FGADHM CCN(C(=O)c1cc(C(C)C)no1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736506081 598863119 /nfs/dbraw/zinc/86/31/19/598863119.db2.gz QMIIMKBHIQADGZ-GFCCVEGCSA-N -1 3 354.414 3.201 20 0 FGADHM Cc1cccc(C(=O)O[C@H](C)COc2cccc(-c3nnn[n-]3)c2)c1C ZINC000737384540 598886581 /nfs/dbraw/zinc/88/65/81/598886581.db2.gz KGTMJXSOWAOEJJ-CYBMUJFWSA-N -1 3 352.394 3.108 20 0 FGADHM Cc1cccc(C(=O)O[C@H](C)COc2cccc(-c3nn[n-]n3)c2)c1C ZINC000737384540 598886584 /nfs/dbraw/zinc/88/65/84/598886584.db2.gz KGTMJXSOWAOEJJ-CYBMUJFWSA-N -1 3 352.394 3.108 20 0 FGADHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)c1coc2ccccc12 ZINC000736040133 598887901 /nfs/dbraw/zinc/88/79/01/598887901.db2.gz NCQKVSBKPJNJCF-GFCCVEGCSA-N -1 3 364.361 3.237 20 0 FGADHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)c1coc2ccccc12 ZINC000736040133 598887903 /nfs/dbraw/zinc/88/79/03/598887903.db2.gz NCQKVSBKPJNJCF-GFCCVEGCSA-N -1 3 364.361 3.237 20 0 FGADHM O=C(NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1)N1CCCCC1 ZINC000738111104 598888878 /nfs/dbraw/zinc/88/88/78/598888878.db2.gz HPRIWBIEUXDIGY-UHFFFAOYSA-N -1 3 368.466 3.291 20 0 FGADHM C[C@@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)[C@@H](C)c1ccccc1F ZINC000736038031 598889032 /nfs/dbraw/zinc/88/90/32/598889032.db2.gz RECIDNJSZRHKLU-STQMWFEESA-N -1 3 370.384 3.120 20 0 FGADHM C[C@@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)[C@@H](C)c1ccccc1F ZINC000736038031 598889034 /nfs/dbraw/zinc/88/90/34/598889034.db2.gz RECIDNJSZRHKLU-STQMWFEESA-N -1 3 370.384 3.120 20 0 FGADHM O=C(CSc1nc(-c2ccccc2)ccc1-c1nnn[n-]1)c1ccc[nH]1 ZINC000737954064 598902983 /nfs/dbraw/zinc/90/29/83/598902983.db2.gz SYAJEFVYNJOUAJ-UHFFFAOYSA-N -1 3 362.418 3.232 20 0 FGADHM O=C(CSc1nc(-c2ccccc2)ccc1-c1nn[n-]n1)c1ccc[nH]1 ZINC000737954064 598902985 /nfs/dbraw/zinc/90/29/85/598902985.db2.gz SYAJEFVYNJOUAJ-UHFFFAOYSA-N -1 3 362.418 3.232 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000736637113 598905391 /nfs/dbraw/zinc/90/53/91/598905391.db2.gz OSGSQNLQTDLSLQ-IMRBUKKESA-N -1 3 358.446 3.212 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000736637113 598905393 /nfs/dbraw/zinc/90/53/93/598905393.db2.gz OSGSQNLQTDLSLQ-IMRBUKKESA-N -1 3 358.446 3.212 20 0 FGADHM Cc1sc(NC(=O)[C@H]2CSc3ccccc32)c(-c2nnn[n-]2)c1C ZINC000737559860 599293238 /nfs/dbraw/zinc/29/32/38/599293238.db2.gz BGFCPBONUDBTGC-NSHDSACASA-N -1 3 357.464 3.373 20 0 FGADHM Cc1sc(NC(=O)[C@H]2CSc3ccccc32)c(-c2nn[n-]n2)c1C ZINC000737559860 599293240 /nfs/dbraw/zinc/29/32/40/599293240.db2.gz BGFCPBONUDBTGC-NSHDSACASA-N -1 3 357.464 3.373 20 0 FGADHM CC[C@H](NC(=O)CCc1ccc(-c2nnn[n-]2)cc1)c1cc(F)ccc1F ZINC000736357904 598944183 /nfs/dbraw/zinc/94/41/83/598944183.db2.gz QDALROVCZBXSFH-KRWDZBQOSA-N -1 3 371.391 3.345 20 0 FGADHM CC[C@H](NC(=O)CCc1ccc(-c2nn[n-]n2)cc1)c1cc(F)ccc1F ZINC000736357904 598944185 /nfs/dbraw/zinc/94/41/85/598944185.db2.gz QDALROVCZBXSFH-KRWDZBQOSA-N -1 3 371.391 3.345 20 0 FGADHM C[C@@H](c1nc(-c2ccccc2)no1)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736202241 598944729 /nfs/dbraw/zinc/94/47/29/598944729.db2.gz HTRXMQLXXPVAHS-ZDUSSCGKSA-N -1 3 361.409 3.110 20 0 FGADHM Cc1ccc(NC(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc1OC(F)F ZINC000737359503 598967067 /nfs/dbraw/zinc/96/70/67/598967067.db2.gz HPZIOIMKQCUVJA-UHFFFAOYSA-N -1 3 374.351 3.098 20 0 FGADHM Cc1ccc(NC(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1OC(F)F ZINC000737359503 598967068 /nfs/dbraw/zinc/96/70/68/598967068.db2.gz HPZIOIMKQCUVJA-UHFFFAOYSA-N -1 3 374.351 3.098 20 0 FGADHM C[C@@H](CNC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C(C)(C)C ZINC000736026632 598977804 /nfs/dbraw/zinc/97/78/04/598977804.db2.gz VPARIBXVUQFMGU-VIFPVBQESA-N -1 3 352.895 3.489 20 0 FGADHM C[C@@H](CNC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C(C)(C)C ZINC000736026632 598977805 /nfs/dbraw/zinc/97/78/05/598977805.db2.gz VPARIBXVUQFMGU-VIFPVBQESA-N -1 3 352.895 3.489 20 0 FGADHM Cc1c(NCC(=O)Nc2cccc3ccccc32)cccc1-c1nnn[n-]1 ZINC000822122348 607256828 /nfs/dbraw/zinc/25/68/28/607256828.db2.gz LCULDLSWOGTWLP-UHFFFAOYSA-N -1 3 358.405 3.379 20 0 FGADHM Cc1c(NCC(=O)Nc2cccc3ccccc32)cccc1-c1nn[n-]n1 ZINC000822122348 607256829 /nfs/dbraw/zinc/25/68/29/607256829.db2.gz LCULDLSWOGTWLP-UHFFFAOYSA-N -1 3 358.405 3.379 20 0 FGADHM CC(C)(C)CNC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735619010 598996686 /nfs/dbraw/zinc/99/66/86/598996686.db2.gz PSNDBXXSAJCQQW-UHFFFAOYSA-N -1 3 365.437 3.222 20 0 FGADHM C[C@@H](CCC1CCCCC1)NC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000735984381 599007979 /nfs/dbraw/zinc/00/79/79/599007979.db2.gz DFMTZJZPBISIOL-AWEZNQCLSA-N -1 3 357.458 3.111 20 0 FGADHM C[C@@H](CCC1CCCCC1)NC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000735984381 599007981 /nfs/dbraw/zinc/00/79/81/599007981.db2.gz DFMTZJZPBISIOL-AWEZNQCLSA-N -1 3 357.458 3.111 20 0 FGADHM O=C(Nc1ccccn1)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000738195188 599021170 /nfs/dbraw/zinc/02/11/70/599021170.db2.gz IIDMTTGBRXADGG-UHFFFAOYSA-N -1 3 372.388 3.093 20 0 FGADHM O=C(Nc1ccccn1)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000738195188 599021172 /nfs/dbraw/zinc/02/11/72/599021172.db2.gz IIDMTTGBRXADGG-UHFFFAOYSA-N -1 3 372.388 3.093 20 0 FGADHM Cc1ccccc1[C@@H]1CN(c2ccc(-c3nnn[n-]3)c(Cl)c2)CCO1 ZINC000822352341 599036948 /nfs/dbraw/zinc/03/69/48/599036948.db2.gz XLXRGCDSHKQJTQ-KRWDZBQOSA-N -1 3 355.829 3.406 20 0 FGADHM Cc1ccccc1[C@@H]1CN(c2ccc(-c3nn[n-]n3)c(Cl)c2)CCO1 ZINC000822352341 599036950 /nfs/dbraw/zinc/03/69/50/599036950.db2.gz XLXRGCDSHKQJTQ-KRWDZBQOSA-N -1 3 355.829 3.406 20 0 FGADHM C[C@H]1c2ccsc2CCN1c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000736301430 599038925 /nfs/dbraw/zinc/03/89/25/599038925.db2.gz BLINTBXKUHSRID-QMMMGPOBSA-N -1 3 366.372 3.466 20 0 FGADHM C[C@H]1c2ccsc2CCN1c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000736301430 599038928 /nfs/dbraw/zinc/03/89/28/599038928.db2.gz BLINTBXKUHSRID-QMMMGPOBSA-N -1 3 366.372 3.466 20 0 FGADHM CN(Cc1ccccc1F)c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000736828875 599039128 /nfs/dbraw/zinc/03/91/28/599039128.db2.gz RSRWDBLBMYSAHD-UHFFFAOYSA-N -1 3 352.295 3.056 20 0 FGADHM CN(Cc1ccccc1F)c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000736828875 599039130 /nfs/dbraw/zinc/03/91/30/599039130.db2.gz RSRWDBLBMYSAHD-UHFFFAOYSA-N -1 3 352.295 3.056 20 0 FGADHM Fc1cc(F)cc(CCNc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)c1 ZINC000737651680 599052858 /nfs/dbraw/zinc/05/28/58/599052858.db2.gz MZHVSSHWQYNCOY-UHFFFAOYSA-N -1 3 370.285 3.213 20 0 FGADHM Fc1cc(F)cc(CCNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)c1 ZINC000737651680 599052861 /nfs/dbraw/zinc/05/28/61/599052861.db2.gz MZHVSSHWQYNCOY-UHFFFAOYSA-N -1 3 370.285 3.213 20 0 FGADHM CC1(C)[C@@H]2CN(c3c(-c4nnn[n-]4)cnc4c(F)ccc(Cl)c43)C[C@@H]21 ZINC000820586350 599053187 /nfs/dbraw/zinc/05/31/87/599053187.db2.gz VQCIQFGQZIXUCT-AOOOYVTPSA-N -1 3 358.808 3.300 20 0 FGADHM CC1(C)[C@@H]2CN(c3c(-c4nn[n-]n4)cnc4c(F)ccc(Cl)c43)C[C@@H]21 ZINC000820586350 599053189 /nfs/dbraw/zinc/05/31/89/599053189.db2.gz VQCIQFGQZIXUCT-AOOOYVTPSA-N -1 3 358.808 3.300 20 0 FGADHM CCCN(C[C@H]1CCCCO1)c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000736472787 599053350 /nfs/dbraw/zinc/05/33/50/599053350.db2.gz ZQDNMIYDYROIKZ-LLVKDONJSA-N -1 3 370.379 3.066 20 0 FGADHM CCCN(C[C@H]1CCCCO1)c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000736472787 599053352 /nfs/dbraw/zinc/05/33/52/599053352.db2.gz ZQDNMIYDYROIKZ-LLVKDONJSA-N -1 3 370.379 3.066 20 0 FGADHM C[C@H](OC(=O)c1cccc(-c2nnn[n-]2)c1)c1ncc(-c2ccccc2)o1 ZINC000736162179 599056094 /nfs/dbraw/zinc/05/60/94/599056094.db2.gz HUQXWBIJPBDZQQ-LBPRGKRZSA-N -1 3 361.361 3.440 20 0 FGADHM C[C@H](OC(=O)c1cccc(-c2nn[n-]n2)c1)c1ncc(-c2ccccc2)o1 ZINC000736162179 599056096 /nfs/dbraw/zinc/05/60/96/599056096.db2.gz HUQXWBIJPBDZQQ-LBPRGKRZSA-N -1 3 361.361 3.440 20 0 FGADHM Fc1cccc(N2CC[C@@H](COCc3ccccc3)C2)c1-c1nnn[n-]1 ZINC000822792480 599063011 /nfs/dbraw/zinc/06/30/11/599063011.db2.gz YHTSENIPAZWDHF-OAHLLOKOSA-N -1 3 353.401 3.049 20 0 FGADHM Fc1cccc(N2CC[C@@H](COCc3ccccc3)C2)c1-c1nn[n-]n1 ZINC000822792480 599063014 /nfs/dbraw/zinc/06/30/14/599063014.db2.gz YHTSENIPAZWDHF-OAHLLOKOSA-N -1 3 353.401 3.049 20 0 FGADHM C[C@H]1CCC[C@H](C(=O)N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC000736245265 599074570 /nfs/dbraw/zinc/07/45/70/599074570.db2.gz RQSGPZANZVDAPT-HOCLYGCPSA-N -1 3 369.469 3.063 20 0 FGADHM CC[C@H](NC(=O)c1sccc1-c1nnn[n-]1)C(C)(C)c1ccccc1 ZINC000736370622 599078547 /nfs/dbraw/zinc/07/85/47/599078547.db2.gz MYOWCRYGJXHIQA-AWEZNQCLSA-N -1 3 355.467 3.414 20 0 FGADHM CC[C@H](NC(=O)c1sccc1-c1nn[n-]n1)C(C)(C)c1ccccc1 ZINC000736370622 599078550 /nfs/dbraw/zinc/07/85/50/599078550.db2.gz MYOWCRYGJXHIQA-AWEZNQCLSA-N -1 3 355.467 3.414 20 0 FGADHM CCSCc1cccc(NC(=O)COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000736665227 599084110 /nfs/dbraw/zinc/08/41/10/599084110.db2.gz GDQWMLWWLBJXAI-UHFFFAOYSA-N -1 3 369.450 3.137 20 0 FGADHM CCSCc1cccc(NC(=O)COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000736665227 599084113 /nfs/dbraw/zinc/08/41/13/599084113.db2.gz GDQWMLWWLBJXAI-UHFFFAOYSA-N -1 3 369.450 3.137 20 0 FGADHM CN(CCc1cccs1)c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000821607657 599087924 /nfs/dbraw/zinc/08/79/24/599087924.db2.gz YHWIMFKSKLXIBS-UHFFFAOYSA-N -1 3 354.361 3.021 20 0 FGADHM CN(CCc1cccs1)c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000821607657 599087927 /nfs/dbraw/zinc/08/79/27/599087927.db2.gz YHWIMFKSKLXIBS-UHFFFAOYSA-N -1 3 354.361 3.021 20 0 FGADHM C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1C(=O)c1sccc1-c1nnn[n-]1 ZINC000736236678 599091302 /nfs/dbraw/zinc/09/13/02/599091302.db2.gz SULHCEPNTJYNME-JMSVASOKSA-N -1 3 353.451 3.335 20 0 FGADHM C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1C(=O)c1sccc1-c1nn[n-]n1 ZINC000736236678 599091306 /nfs/dbraw/zinc/09/13/06/599091306.db2.gz SULHCEPNTJYNME-JMSVASOKSA-N -1 3 353.451 3.335 20 0 FGADHM C[C@@H]1CCC[C@H](CCNC(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736253692 599106119 /nfs/dbraw/zinc/10/61/19/599106119.db2.gz VSKPZHQTTHNBTF-HUUCEWRRSA-N -1 3 356.474 3.225 20 0 FGADHM C[C@@H]1CCC[C@H](CCNC(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736253692 599106121 /nfs/dbraw/zinc/10/61/21/599106121.db2.gz VSKPZHQTTHNBTF-HUUCEWRRSA-N -1 3 356.474 3.225 20 0 FGADHM C[C@@H](NC(=O)[C@@]1(C)CCc2ccccc2C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820321447 599136387 /nfs/dbraw/zinc/13/63/87/599136387.db2.gz GJQIVZSQAUEDIK-SZNDQCEHSA-N -1 3 361.449 3.239 20 0 FGADHM C[C@@H](NC(=O)[C@@]1(C)CCc2ccccc2C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820321447 599136389 /nfs/dbraw/zinc/13/63/89/599136389.db2.gz GJQIVZSQAUEDIK-SZNDQCEHSA-N -1 3 361.449 3.239 20 0 FGADHM C[C@@H](CNC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1)C(C)(C)C ZINC000736017096 599147229 /nfs/dbraw/zinc/14/72/29/599147229.db2.gz ICXRHOWAPBNOMM-ZDUSSCGKSA-N -1 3 356.474 3.223 20 0 FGADHM C[C@@H](CNC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1)C(C)(C)C ZINC000736017096 599147232 /nfs/dbraw/zinc/14/72/32/599147232.db2.gz ICXRHOWAPBNOMM-ZDUSSCGKSA-N -1 3 356.474 3.223 20 0 FGADHM Cc1cccc([C@H](C)NC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)c1C ZINC000737386886 599147749 /nfs/dbraw/zinc/14/77/49/599147749.db2.gz FBZYMYJVTSUVKJ-ZDUSSCGKSA-N -1 3 368.416 3.183 20 0 FGADHM Cc1cccc([C@H](C)NC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)c1C ZINC000737386886 599147751 /nfs/dbraw/zinc/14/77/51/599147751.db2.gz FBZYMYJVTSUVKJ-ZDUSSCGKSA-N -1 3 368.416 3.183 20 0 FGADHM C[C@H](OC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1)C1CC1 ZINC000736162937 599151394 /nfs/dbraw/zinc/15/13/94/599151394.db2.gz KLKPLTICUGRSER-ZDUSSCGKSA-N -1 3 364.405 3.401 20 0 FGADHM C[C@H](OC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1)C1CC1 ZINC000736162937 599151395 /nfs/dbraw/zinc/15/13/95/599151395.db2.gz KLKPLTICUGRSER-ZDUSSCGKSA-N -1 3 364.405 3.401 20 0 FGADHM Cc1nc(C)c(CSc2nc3c(c(C)c2-c2nnn[n-]2)CCC3)s1 ZINC000737473138 599162070 /nfs/dbraw/zinc/16/20/70/599162070.db2.gz FLIHEBMTAZKHRU-UHFFFAOYSA-N -1 3 358.496 3.424 20 0 FGADHM Cc1nc(C)c(CSc2nc3c(c(C)c2-c2nn[n-]n2)CCC3)s1 ZINC000737473138 599162072 /nfs/dbraw/zinc/16/20/72/599162072.db2.gz FLIHEBMTAZKHRU-UHFFFAOYSA-N -1 3 358.496 3.424 20 0 FGADHM C[C@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(=O)N(C)c1ccccc1 ZINC000736192203 599168600 /nfs/dbraw/zinc/16/86/00/599168600.db2.gz LKJJXVIBSHUBOO-NSHDSACASA-N -1 3 357.414 3.149 20 0 FGADHM C[C@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(=O)N(C)c1ccccc1 ZINC000736192203 599168604 /nfs/dbraw/zinc/16/86/04/599168604.db2.gz LKJJXVIBSHUBOO-NSHDSACASA-N -1 3 357.414 3.149 20 0 FGADHM CCCCOc1ccc(C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000821077363 599176257 /nfs/dbraw/zinc/17/62/57/599176257.db2.gz CFANUECBVQIJOH-UHFFFAOYSA-N -1 3 369.400 3.115 20 0 FGADHM CCCCOc1ccc(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000821077363 599176259 /nfs/dbraw/zinc/17/62/59/599176259.db2.gz CFANUECBVQIJOH-UHFFFAOYSA-N -1 3 369.400 3.115 20 0 FGADHM CC(C)=CCOc1cccc(C(=O)NCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000735679275 599179249 /nfs/dbraw/zinc/17/92/49/599179249.db2.gz ICSRKRKQTRLTLC-UHFFFAOYSA-N -1 3 363.421 3.142 20 0 FGADHM CC(C)=CCOc1cccc(C(=O)NCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000735679275 599179252 /nfs/dbraw/zinc/17/92/52/599179252.db2.gz ICSRKRKQTRLTLC-UHFFFAOYSA-N -1 3 363.421 3.142 20 0 FGADHM C[C@H](CC(=O)OCCOc1ccccc1-c1nnn[n-]1)c1cccc(F)c1 ZINC000735977313 599184792 /nfs/dbraw/zinc/18/47/92/599184792.db2.gz NNTKBSLPRCIXFG-CYBMUJFWSA-N -1 3 370.384 3.122 20 0 FGADHM C[C@H](CC(=O)OCCOc1ccccc1-c1nn[n-]n1)c1cccc(F)c1 ZINC000735977313 599184793 /nfs/dbraw/zinc/18/47/93/599184793.db2.gz NNTKBSLPRCIXFG-CYBMUJFWSA-N -1 3 370.384 3.122 20 0 FGADHM CCN(C(=O)c1ccc(OC)cc1C)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736507129 599183015 /nfs/dbraw/zinc/18/30/15/599183015.db2.gz AMLFXJYFQCEXBG-CQSZACIVSA-N -1 3 365.437 3.407 20 0 FGADHM CCN(C(=O)c1ccc(OC)cc1C)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736507129 599183016 /nfs/dbraw/zinc/18/30/16/599183016.db2.gz AMLFXJYFQCEXBG-CQSZACIVSA-N -1 3 365.437 3.407 20 0 FGADHM C[C@@H](C(=O)NCc1ccc(-c2nnn[n-]2)cc1F)c1cccc(Cl)c1 ZINC000735546617 599188449 /nfs/dbraw/zinc/18/84/49/599188449.db2.gz FPQQNVMDOGWDKB-SNVBAGLBSA-N -1 3 359.792 3.079 20 0 FGADHM C[C@@H](C(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1cccc(Cl)c1 ZINC000735546617 599188452 /nfs/dbraw/zinc/18/84/52/599188452.db2.gz FPQQNVMDOGWDKB-SNVBAGLBSA-N -1 3 359.792 3.079 20 0 FGADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1F)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000738232492 599186433 /nfs/dbraw/zinc/18/64/33/599186433.db2.gz RICWJROYKSMUQO-VXGBXAGGSA-N -1 3 374.322 3.131 20 0 FGADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1F)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000738232492 599186435 /nfs/dbraw/zinc/18/64/35/599186435.db2.gz RICWJROYKSMUQO-VXGBXAGGSA-N -1 3 374.322 3.131 20 0 FGADHM Cc1ccc(N2CCCC2)c(C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)c1 ZINC000737353989 599195710 /nfs/dbraw/zinc/19/57/10/599195710.db2.gz ZETBINPLKOFVFI-UHFFFAOYSA-N -1 3 362.437 3.336 20 0 FGADHM Cc1ccc(N2CCCC2)c(C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)c1 ZINC000737353989 599195711 /nfs/dbraw/zinc/19/57/11/599195711.db2.gz ZETBINPLKOFVFI-UHFFFAOYSA-N -1 3 362.437 3.336 20 0 FGADHM CC(C)NC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000735889289 599196305 /nfs/dbraw/zinc/19/63/05/599196305.db2.gz YDYSFAWBXWTUDH-UHFFFAOYSA-N -1 3 357.801 3.451 20 0 FGADHM CC(C)NC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000735889289 599196307 /nfs/dbraw/zinc/19/63/07/599196307.db2.gz YDYSFAWBXWTUDH-UHFFFAOYSA-N -1 3 357.801 3.451 20 0 FGADHM CCC[C@@H]1[C@@H](C)CCCN1C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000821033691 599194600 /nfs/dbraw/zinc/19/46/00/599194600.db2.gz DJTLDNOZCKRMJL-XJKSGUPXSA-N -1 3 359.499 3.386 20 0 FGADHM CCC[C@@H]1[C@@H](C)CCCN1C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000821033691 599194604 /nfs/dbraw/zinc/19/46/04/599194604.db2.gz DJTLDNOZCKRMJL-XJKSGUPXSA-N -1 3 359.499 3.386 20 0 FGADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCC[C@H]2CCC[C@H]21 ZINC000735735697 599223498 /nfs/dbraw/zinc/22/34/98/599223498.db2.gz UEDSQZATCJMMRV-KYJSFNMBSA-N -1 3 369.469 3.061 20 0 FGADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCC[C@H]2CCC[C@H]21 ZINC000735735697 599223499 /nfs/dbraw/zinc/22/34/99/599223499.db2.gz UEDSQZATCJMMRV-KYJSFNMBSA-N -1 3 369.469 3.061 20 0 FGADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)N[C@@H](CC1CC1)c1ccccc1 ZINC000737851193 599225032 /nfs/dbraw/zinc/22/50/32/599225032.db2.gz FDXORRHULBMXSZ-IBGZPJMESA-N -1 3 361.449 3.457 20 0 FGADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)N[C@@H](CC1CC1)c1ccccc1 ZINC000737851193 599225036 /nfs/dbraw/zinc/22/50/36/599225036.db2.gz FDXORRHULBMXSZ-IBGZPJMESA-N -1 3 361.449 3.457 20 0 FGADHM COc1cccc(N2CCC[C@@H](Nc3cccc(F)c3-c3nnn[n-]3)C2)c1 ZINC000737137223 599231179 /nfs/dbraw/zinc/23/11/79/599231179.db2.gz CGOAGHKHDDMWCQ-CYBMUJFWSA-N -1 3 368.416 3.095 20 0 FGADHM COc1cccc(N2CCC[C@@H](Nc3cccc(F)c3-c3nn[n-]n3)C2)c1 ZINC000737137223 599231183 /nfs/dbraw/zinc/23/11/83/599231183.db2.gz CGOAGHKHDDMWCQ-CYBMUJFWSA-N -1 3 368.416 3.095 20 0 FGADHM CCCC[C@H](CC)CNC(=S)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000821039206 599228402 /nfs/dbraw/zinc/22/84/02/599228402.db2.gz BBYZMYQISRKEFR-LBPRGKRZSA-N -1 3 364.494 3.186 20 0 FGADHM CCCC[C@H](CC)CNC(=S)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000821039206 599228405 /nfs/dbraw/zinc/22/84/05/599228405.db2.gz BBYZMYQISRKEFR-LBPRGKRZSA-N -1 3 364.494 3.186 20 0 FGADHM CS[C@@H]1CC[C@@H](NC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000821951276 599228473 /nfs/dbraw/zinc/22/84/73/599228473.db2.gz VVSSHAGYSZMUAW-PSASIEDQSA-N -1 3 368.919 3.091 20 0 FGADHM CS[C@@H]1CC[C@@H](NC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000821951276 599228476 /nfs/dbraw/zinc/22/84/76/599228476.db2.gz VVSSHAGYSZMUAW-PSASIEDQSA-N -1 3 368.919 3.091 20 0 FGADHM COc1ccc(NC(=S)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1F ZINC000821835966 599239544 /nfs/dbraw/zinc/23/95/44/599239544.db2.gz VQMQHHYFHWBETB-JTQLQIEISA-N -1 3 372.429 3.062 20 0 FGADHM COc1ccc(NC(=S)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1F ZINC000821835966 599239546 /nfs/dbraw/zinc/23/95/46/599239546.db2.gz VQMQHHYFHWBETB-JTQLQIEISA-N -1 3 372.429 3.062 20 0 FGADHM COc1cccc([C@@H](C)CC(=O)Nc2cccc(-c3nnn[n-]3)c2C)c1 ZINC000821858362 607266899 /nfs/dbraw/zinc/26/68/99/607266899.db2.gz FGWLDMXXYKESKL-LBPRGKRZSA-N -1 3 351.410 3.316 20 0 FGADHM COc1cccc([C@@H](C)CC(=O)Nc2cccc(-c3nn[n-]n3)c2C)c1 ZINC000821858362 607266900 /nfs/dbraw/zinc/26/69/00/607266900.db2.gz FGWLDMXXYKESKL-LBPRGKRZSA-N -1 3 351.410 3.316 20 0 FGADHM Cc1c(NC(=O)CCCc2ccc(F)c(F)c2)cccc1-c1nnn[n-]1 ZINC000822067963 607267204 /nfs/dbraw/zinc/26/72/04/607267204.db2.gz LSYUAFUCBGWVEI-UHFFFAOYSA-N -1 3 357.364 3.415 20 0 FGADHM Cc1c(NC(=O)CCCc2ccc(F)c(F)c2)cccc1-c1nn[n-]n1 ZINC000822067963 607267205 /nfs/dbraw/zinc/26/72/05/607267205.db2.gz LSYUAFUCBGWVEI-UHFFFAOYSA-N -1 3 357.364 3.415 20 0 FGADHM Cc1c(NC(=O)CSc2ccc(F)c(F)c2)cccc1-c1nnn[n-]1 ZINC000822077374 607267374 /nfs/dbraw/zinc/26/73/74/607267374.db2.gz VBOIAXLZXKKZIO-UHFFFAOYSA-N -1 3 361.377 3.184 20 0 FGADHM Cc1c(NC(=O)CSc2ccc(F)c(F)c2)cccc1-c1nn[n-]n1 ZINC000822077374 607267375 /nfs/dbraw/zinc/26/73/75/607267375.db2.gz VBOIAXLZXKKZIO-UHFFFAOYSA-N -1 3 361.377 3.184 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@H](CC)CC1 ZINC000736637126 599241609 /nfs/dbraw/zinc/24/16/09/599241609.db2.gz OSTWKXZPAVKDDG-ZDUSSCGKSA-N -1 3 358.446 3.309 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@H](CC)CC1 ZINC000736637126 599241610 /nfs/dbraw/zinc/24/16/10/599241610.db2.gz OSTWKXZPAVKDDG-ZDUSSCGKSA-N -1 3 358.446 3.309 20 0 FGADHM CSc1ccccc1NC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821983065 599243474 /nfs/dbraw/zinc/24/34/74/599243474.db2.gz DBIGBUXZDUIDEI-LLVKDONJSA-N -1 3 354.439 3.471 20 0 FGADHM CSc1ccccc1NC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821983065 599243475 /nfs/dbraw/zinc/24/34/75/599243475.db2.gz DBIGBUXZDUIDEI-LLVKDONJSA-N -1 3 354.439 3.471 20 0 FGADHM CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000820020801 599244592 /nfs/dbraw/zinc/24/45/92/599244592.db2.gz KETYBTPWKOYSAQ-KRWDZBQOSA-N -1 3 368.416 3.395 20 0 FGADHM CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000820020801 599244594 /nfs/dbraw/zinc/24/45/94/599244594.db2.gz KETYBTPWKOYSAQ-KRWDZBQOSA-N -1 3 368.416 3.395 20 0 FGADHM C[C@H](NC(=O)C[C@H]1CCOc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000736102713 599245905 /nfs/dbraw/zinc/24/59/05/599245905.db2.gz UGUBFTOFBGHDPK-XJKSGUPXSA-N -1 3 363.421 3.000 20 0 FGADHM C[C@H](NC(=O)C[C@H]1CCOc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000736102713 599245907 /nfs/dbraw/zinc/24/59/07/599245907.db2.gz UGUBFTOFBGHDPK-XJKSGUPXSA-N -1 3 363.421 3.000 20 0 FGADHM Cc1nc2ccc(NC(=O)N[C@H](C)c3cccc(-c4nnn[n-]4)c3)cc2o1 ZINC000822458582 599252953 /nfs/dbraw/zinc/25/29/53/599252953.db2.gz DVOBBNSSOQETEC-SNVBAGLBSA-N -1 3 363.381 3.199 20 0 FGADHM Cc1nc2ccc(NC(=O)N[C@H](C)c3cccc(-c4nn[n-]n4)c3)cc2o1 ZINC000822458582 599252954 /nfs/dbraw/zinc/25/29/54/599252954.db2.gz DVOBBNSSOQETEC-SNVBAGLBSA-N -1 3 363.381 3.199 20 0 FGADHM Cc1cccnc1[C@H](NC(=O)Nc1cccc(-c2nnn[n-]2)c1C)C(C)C ZINC000822370471 607282852 /nfs/dbraw/zinc/28/28/52/607282852.db2.gz YYORXRHWZVAUIM-MRXNPFEDSA-N -1 3 365.441 3.397 20 0 FGADHM Cc1cccnc1[C@H](NC(=O)Nc1cccc(-c2nn[n-]n2)c1C)C(C)C ZINC000822370471 607282853 /nfs/dbraw/zinc/28/28/53/607282853.db2.gz YYORXRHWZVAUIM-MRXNPFEDSA-N -1 3 365.441 3.397 20 0 FGADHM Cc1c(NC(=O)NCc2nc3ccccc3s2)cccc1-c1nnn[n-]1 ZINC000822103447 607287723 /nfs/dbraw/zinc/28/77/23/607287723.db2.gz GPRSZQLKDRGVFD-UHFFFAOYSA-N -1 3 365.422 3.107 20 0 FGADHM Cc1c(NC(=O)NCc2nc3ccccc3s2)cccc1-c1nn[n-]n1 ZINC000822103447 607287724 /nfs/dbraw/zinc/28/77/24/607287724.db2.gz GPRSZQLKDRGVFD-UHFFFAOYSA-N -1 3 365.422 3.107 20 0 FGADHM O=C([O-])Cc1ccccc1NC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000390604551 597334565 /nfs/dbraw/zinc/33/45/65/597334565.db2.gz XGNDSWABXNTXAC-SFHVURJKSA-N -1 3 367.449 3.100 20 0 FGADHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(NCCc3cccs3)c2c1 ZINC000737248863 599257740 /nfs/dbraw/zinc/25/77/40/599257740.db2.gz NPZHXSYXXORZQV-UHFFFAOYSA-N -1 3 350.451 3.170 20 0 FGADHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(NCCc3cccs3)c2c1 ZINC000737248863 599257743 /nfs/dbraw/zinc/25/77/43/599257743.db2.gz NPZHXSYXXORZQV-UHFFFAOYSA-N -1 3 350.451 3.170 20 0 FGADHM Cc1c(NC(=O)NC[C@H]2CCc3ccccc3C2)cccc1-c1nnn[n-]1 ZINC000822097246 607286871 /nfs/dbraw/zinc/28/68/71/607286871.db2.gz WEXXPIKUOMBNNG-AWEZNQCLSA-N -1 3 362.437 3.102 20 0 FGADHM Cc1c(NC(=O)NC[C@H]2CCc3ccccc3C2)cccc1-c1nn[n-]n1 ZINC000822097246 607286872 /nfs/dbraw/zinc/28/68/72/607286872.db2.gz WEXXPIKUOMBNNG-AWEZNQCLSA-N -1 3 362.437 3.102 20 0 FGADHM Cc1c(NC(=O)NCCc2ccc(Cl)cc2)cccc1-c1nnn[n-]1 ZINC000822097066 607290812 /nfs/dbraw/zinc/29/08/12/607290812.db2.gz UGYLQEIIJQBGEB-UHFFFAOYSA-N -1 3 356.817 3.193 20 0 FGADHM Cc1c(NC(=O)NCCc2ccc(Cl)cc2)cccc1-c1nn[n-]n1 ZINC000822097066 607290813 /nfs/dbraw/zinc/29/08/13/607290813.db2.gz UGYLQEIIJQBGEB-UHFFFAOYSA-N -1 3 356.817 3.193 20 0 FGADHM Cc1c(NC(=O)[C@@H]2SCCc3sccc32)cccc1-c1nnn[n-]1 ZINC000822068000 607294189 /nfs/dbraw/zinc/29/41/89/607294189.db2.gz MXIAEQGHFFIDIL-CQSZACIVSA-N -1 3 357.464 3.206 20 0 FGADHM Cc1c(NC(=O)[C@@H]2SCCc3sccc32)cccc1-c1nn[n-]n1 ZINC000822068000 607294190 /nfs/dbraw/zinc/29/41/90/607294190.db2.gz MXIAEQGHFFIDIL-CQSZACIVSA-N -1 3 357.464 3.206 20 0 FGADHM Cc1nc(C(C)(C)C)sc1C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000822422783 607295977 /nfs/dbraw/zinc/29/59/77/607295977.db2.gz CPARHUCJAHDRJP-UHFFFAOYSA-N -1 3 356.455 3.490 20 0 FGADHM Cc1nc(C(C)(C)C)sc1C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000822422783 607295978 /nfs/dbraw/zinc/29/59/78/607295978.db2.gz CPARHUCJAHDRJP-UHFFFAOYSA-N -1 3 356.455 3.490 20 0 FGADHM Cc1cc(Cl)cc2c1N(C(=O)c1sccc1-c1nnn[n-]1)CCC2 ZINC000737263598 599259914 /nfs/dbraw/zinc/25/99/14/599259914.db2.gz MFKHPFTZVGIZGY-UHFFFAOYSA-N -1 3 359.842 3.483 20 0 FGADHM Cc1cc(Cl)cc2c1N(C(=O)c1sccc1-c1nn[n-]n1)CCC2 ZINC000737263598 599259916 /nfs/dbraw/zinc/25/99/16/599259916.db2.gz MFKHPFTZVGIZGY-UHFFFAOYSA-N -1 3 359.842 3.483 20 0 FGADHM FC(F)Sc1cccc(NCc2cnc3ccc(-c4nnn[n-]4)cn23)c1 ZINC000822737449 607316520 /nfs/dbraw/zinc/31/65/20/607316520.db2.gz VWUDDDITNHHCEJ-UHFFFAOYSA-N -1 3 373.392 3.441 20 0 FGADHM FC(F)Sc1cccc(NCc2cnc3ccc(-c4nn[n-]n4)cn23)c1 ZINC000822737449 607316521 /nfs/dbraw/zinc/31/65/21/607316521.db2.gz VWUDDDITNHHCEJ-UHFFFAOYSA-N -1 3 373.392 3.441 20 0 FGADHM CO[C@@H](C)c1cccc(NC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000821673521 599274286 /nfs/dbraw/zinc/27/42/86/599274286.db2.gz DOFPVZDPJFPQIC-OLZOCXBDSA-N -1 3 366.425 3.457 20 0 FGADHM CO[C@@H](C)c1cccc(NC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000821673521 599274289 /nfs/dbraw/zinc/27/42/89/599274289.db2.gz DOFPVZDPJFPQIC-OLZOCXBDSA-N -1 3 366.425 3.457 20 0 FGADHM CCSCc1cccc(NCc2cnc3ccc(-c4nnn[n-]4)cn23)c1 ZINC000821461782 607318458 /nfs/dbraw/zinc/31/84/58/607318458.db2.gz STMONXWTCBQUJM-UHFFFAOYSA-N -1 3 365.466 3.380 20 0 FGADHM CCSCc1cccc(NCc2cnc3ccc(-c4nn[n-]n4)cn23)c1 ZINC000821461782 607318459 /nfs/dbraw/zinc/31/84/59/607318459.db2.gz STMONXWTCBQUJM-UHFFFAOYSA-N -1 3 365.466 3.380 20 0 FGADHM Cc1cc(NCc2cnc3ccc(-c4nnn[n-]4)cn23)ccc1OC(C)C ZINC000822209559 607318550 /nfs/dbraw/zinc/31/85/50/607318550.db2.gz NXKGQYHGUMFJEL-UHFFFAOYSA-N -1 3 363.425 3.222 20 0 FGADHM Cc1cc(NCc2cnc3ccc(-c4nn[n-]n4)cn23)ccc1OC(C)C ZINC000822209559 607318551 /nfs/dbraw/zinc/31/85/51/607318551.db2.gz NXKGQYHGUMFJEL-UHFFFAOYSA-N -1 3 363.425 3.222 20 0 FGADHM CCCOc1cccc(CC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000821134011 607319385 /nfs/dbraw/zinc/31/93/85/607319385.db2.gz KEFYRCTVEQIKKE-UHFFFAOYSA-N -1 3 371.828 3.490 20 0 FGADHM CCCOc1cccc(CC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000821134011 607319386 /nfs/dbraw/zinc/31/93/86/607319386.db2.gz KEFYRCTVEQIKKE-UHFFFAOYSA-N -1 3 371.828 3.490 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(F)cc(F)c1 ZINC000736489351 599278317 /nfs/dbraw/zinc/27/83/17/599278317.db2.gz YMFPCBAUEFXFER-UHFFFAOYSA-N -1 3 358.352 3.219 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H]1CSc2ccccc21 ZINC000737294068 599281022 /nfs/dbraw/zinc/28/10/22/599281022.db2.gz LHFQLPJAQMPLKI-AWEZNQCLSA-N -1 3 352.423 3.144 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H]1CSc2ccccc21 ZINC000737294068 599281023 /nfs/dbraw/zinc/28/10/23/599281023.db2.gz LHFQLPJAQMPLKI-AWEZNQCLSA-N -1 3 352.423 3.144 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N1CC[C@@H](Cc2ccccc2)C1 ZINC000823333180 599282900 /nfs/dbraw/zinc/28/29/00/599282900.db2.gz ZSGLKWQAALFCMU-AWEZNQCLSA-N -1 3 366.400 3.102 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N1CC[C@@H](Cc2ccccc2)C1 ZINC000823333180 599282903 /nfs/dbraw/zinc/28/29/03/599282903.db2.gz ZSGLKWQAALFCMU-AWEZNQCLSA-N -1 3 366.400 3.102 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)OCCCc1ccc(F)cc1 ZINC000737802721 599286637 /nfs/dbraw/zinc/28/66/37/599286637.db2.gz QSQVQVWWWUGMPI-XFXZXTDPSA-N -1 3 352.369 3.195 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)OCCCc1ccc(F)cc1 ZINC000737802721 599286639 /nfs/dbraw/zinc/28/66/39/599286639.db2.gz QSQVQVWWWUGMPI-XFXZXTDPSA-N -1 3 352.369 3.195 20 0 FGADHM Cc1c(NC(=O)c2ccc(-c3ccccc3)n2C)cccc1-c1nnn[n-]1 ZINC000822108971 607322085 /nfs/dbraw/zinc/32/20/85/607322085.db2.gz NXGQFNBKNAHLTJ-UHFFFAOYSA-N -1 3 358.405 3.433 20 0 FGADHM Cc1c(NC(=O)c2ccc(-c3ccccc3)n2C)cccc1-c1nn[n-]n1 ZINC000822108971 607322086 /nfs/dbraw/zinc/32/20/86/607322086.db2.gz NXGQFNBKNAHLTJ-UHFFFAOYSA-N -1 3 358.405 3.433 20 0 FGADHM Cc1ccc(N2CCCC2)c(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)c1 ZINC000822242673 607322183 /nfs/dbraw/zinc/32/21/83/607322183.db2.gz UANPHWLNOLJMRI-UHFFFAOYSA-N -1 3 362.437 3.336 20 0 FGADHM Cc1ccc(N2CCCC2)c(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)c1 ZINC000822242673 607322184 /nfs/dbraw/zinc/32/21/84/607322184.db2.gz UANPHWLNOLJMRI-UHFFFAOYSA-N -1 3 362.437 3.336 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)c1ccccc1OC1CCC1 ZINC000737025379 599292186 /nfs/dbraw/zinc/29/21/86/599292186.db2.gz PQEUCZDDHGLRMK-UHFFFAOYSA-N -1 3 366.377 3.026 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)c1ccccc1OC1CCC1 ZINC000737025379 599292188 /nfs/dbraw/zinc/29/21/88/599292188.db2.gz PQEUCZDDHGLRMK-UHFFFAOYSA-N -1 3 366.377 3.026 20 0 FGADHM Clc1cc(N2CC(c3nc4ccccc4[nH]3)C2)ccc1-c1nnn[n-]1 ZINC000822568660 607328839 /nfs/dbraw/zinc/32/88/39/607328839.db2.gz VPSSRBSAVYTPNZ-UHFFFAOYSA-N -1 3 351.801 3.000 20 0 FGADHM Clc1cc(N2CC(c3nc4ccccc4[nH]3)C2)ccc1-c1nn[n-]n1 ZINC000822568660 607328840 /nfs/dbraw/zinc/32/88/40/607328840.db2.gz VPSSRBSAVYTPNZ-UHFFFAOYSA-N -1 3 351.801 3.000 20 0 FGADHM C[C@H]1CC[C@@H](NC(=O)c2ncc(-c3nnn[n-]3)cc2Cl)c2ccccc21 ZINC000824915406 607780132 /nfs/dbraw/zinc/78/01/32/607780132.db2.gz FLJQTKQXHXUDQY-ZUZCIYMTSA-N -1 3 368.828 3.284 20 0 FGADHM C[C@H]1CC[C@@H](NC(=O)c2ncc(-c3nn[n-]n3)cc2Cl)c2ccccc21 ZINC000824915406 607780133 /nfs/dbraw/zinc/78/01/33/607780133.db2.gz FLJQTKQXHXUDQY-ZUZCIYMTSA-N -1 3 368.828 3.284 20 0 FGADHM Cc1nccn1CCCCSc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC000826331136 608395415 /nfs/dbraw/zinc/39/54/15/608395415.db2.gz WJEBPTPKAGLYHR-UHFFFAOYSA-N -1 3 369.498 3.218 20 0 FGADHM O=C(Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)c1cncs1 ZINC000738186396 598233044 /nfs/dbraw/zinc/23/30/44/598233044.db2.gz YJVDWOWOXFEBMR-UHFFFAOYSA-N -1 3 364.390 3.368 20 0 FGADHM CCC(CC)CNC(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000736342993 598239821 /nfs/dbraw/zinc/23/98/21/598239821.db2.gz VMBFDVZBXIGNMU-UHFFFAOYSA-N -1 3 369.425 3.205 20 0 FGADHM CCC(CC)CNC(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000736342993 598239822 /nfs/dbraw/zinc/23/98/22/598239822.db2.gz VMBFDVZBXIGNMU-UHFFFAOYSA-N -1 3 369.425 3.205 20 0 FGADHM CC[C@H](C)[C@@H](C)N(C(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000736333777 598240927 /nfs/dbraw/zinc/24/09/27/598240927.db2.gz VCDOLQBYZILXCJ-BFHYXJOUSA-N -1 3 357.458 3.060 20 0 FGADHM CCOc1c(OC)cc(CNc2ccc(-c3nn[n-]n3)cc2F)cc1OC ZINC000736629319 598242823 /nfs/dbraw/zinc/24/28/23/598242823.db2.gz WJVGHZMQRLJCII-UHFFFAOYSA-N -1 3 373.388 3.034 20 0 FGADHM Fc1ccc(-c2nc(CCNc3cccc(F)c3-c3nnn[n-]3)co2)cc1 ZINC000737654307 598248712 /nfs/dbraw/zinc/24/87/12/598248712.db2.gz ZFPSHAHASHLVQA-UHFFFAOYSA-N -1 3 368.347 3.455 20 0 FGADHM Fc1ccc(-c2nc(CCNc3cccc(F)c3-c3nn[n-]n3)co2)cc1 ZINC000737654307 598248713 /nfs/dbraw/zinc/24/87/13/598248713.db2.gz ZFPSHAHASHLVQA-UHFFFAOYSA-N -1 3 368.347 3.455 20 0 FGADHM Fc1ccc(CN2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)cc1F ZINC000737647605 598249675 /nfs/dbraw/zinc/24/96/75/598249675.db2.gz HFEWEMGRNFJKRN-UHFFFAOYSA-N -1 3 371.391 3.188 20 0 FGADHM Cc1ccc2[nH]c3c(c2c1)CN(Cc1ccc(F)cc1-c1nnn[n-]1)CC3 ZINC000737373821 598252340 /nfs/dbraw/zinc/25/23/40/598252340.db2.gz XSCYVVKDAYPVRL-UHFFFAOYSA-N -1 3 362.412 3.354 20 0 FGADHM Cc1ccc2[nH]c3c(c2c1)CN(Cc1ccc(F)cc1-c1nn[n-]n1)CC3 ZINC000737373821 598252341 /nfs/dbraw/zinc/25/23/41/598252341.db2.gz XSCYVVKDAYPVRL-UHFFFAOYSA-N -1 3 362.412 3.354 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)NCc1ccc2ccccc2c1 ZINC000737063738 598265753 /nfs/dbraw/zinc/26/57/53/598265753.db2.gz SBEQQHVHNUWHJN-UHFFFAOYSA-N -1 3 374.404 3.350 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)NCc1ccc2ccccc2c1 ZINC000737063738 598265754 /nfs/dbraw/zinc/26/57/54/598265754.db2.gz SBEQQHVHNUWHJN-UHFFFAOYSA-N -1 3 374.404 3.350 20 0 FGADHM CN(Cc1ccccc1F)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736828211 598275260 /nfs/dbraw/zinc/27/52/60/598275260.db2.gz JDXSAFFZOLVFQX-UHFFFAOYSA-N -1 3 371.420 3.226 20 0 FGADHM CN(Cc1ccccc1F)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736828211 598275261 /nfs/dbraw/zinc/27/52/61/598275261.db2.gz JDXSAFFZOLVFQX-UHFFFAOYSA-N -1 3 371.420 3.226 20 0 FGADHM Cc1cc(Oc2ccc(-c3nnn[n-]3)cc2Cl)nc(-c2ccccn2)n1 ZINC000737281389 598275570 /nfs/dbraw/zinc/27/55/70/598275570.db2.gz XGJPXZJYBYXJRL-UHFFFAOYSA-N -1 3 365.784 3.473 20 0 FGADHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2Cl)nc(-c2ccccn2)n1 ZINC000737281389 598275571 /nfs/dbraw/zinc/27/55/71/598275571.db2.gz XGJPXZJYBYXJRL-UHFFFAOYSA-N -1 3 365.784 3.473 20 0 FGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N1CCc2sccc2C1 ZINC000735661659 598276545 /nfs/dbraw/zinc/27/65/45/598276545.db2.gz WJVGYSJUZORBNQ-UHFFFAOYSA-N -1 3 371.470 3.075 20 0 FGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N1CCc2sccc2C1 ZINC000735661659 598276546 /nfs/dbraw/zinc/27/65/46/598276546.db2.gz WJVGYSJUZORBNQ-UHFFFAOYSA-N -1 3 371.470 3.075 20 0 FGADHM Cc1cccc2c1CC[C@@H]2NC(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000737411222 598277820 /nfs/dbraw/zinc/27/78/20/598277820.db2.gz WQCBJIIKBPSEHK-INIZCTEOSA-N -1 3 350.451 3.149 20 0 FGADHM Cc1cccc2c1CC[C@@H]2NC(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000737411222 598277821 /nfs/dbraw/zinc/27/78/21/598277821.db2.gz WQCBJIIKBPSEHK-INIZCTEOSA-N -1 3 350.451 3.149 20 0 FGADHM COc1ccccc1[C@H](C)CC(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000737142427 598279040 /nfs/dbraw/zinc/27/90/40/598279040.db2.gz OITXXROXGNOLPL-GFCCVEGCSA-N -1 3 369.400 3.171 20 0 FGADHM COc1ccccc1[C@H](C)CC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000737142427 598279041 /nfs/dbraw/zinc/27/90/41/598279041.db2.gz OITXXROXGNOLPL-GFCCVEGCSA-N -1 3 369.400 3.171 20 0 FGADHM CN(C(=O)C=Cc1ccccc1Cl)c1ccc(-c2nnn[n-]2)cc1F ZINC000736733908 598281218 /nfs/dbraw/zinc/28/12/18/598281218.db2.gz ZNTNFJVCFNBFRO-VQHVLOKHSA-N -1 3 357.776 3.335 20 0 FGADHM CN(C(=O)C=Cc1ccccc1Cl)c1ccc(-c2nn[n-]n2)cc1F ZINC000736733908 598281219 /nfs/dbraw/zinc/28/12/19/598281219.db2.gz ZNTNFJVCFNBFRO-VQHVLOKHSA-N -1 3 357.776 3.335 20 0 FGADHM COc1c(C)cc(CN(C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000737022998 598282133 /nfs/dbraw/zinc/28/21/33/598282133.db2.gz FWQIPCOBYCUCJC-UHFFFAOYSA-N -1 3 366.425 3.156 20 0 FGADHM COc1c(C)cc(CN(C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000737022998 598282135 /nfs/dbraw/zinc/28/21/35/598282135.db2.gz FWQIPCOBYCUCJC-UHFFFAOYSA-N -1 3 366.425 3.156 20 0 FGADHM C[C@]1(C(=O)OCc2cc(-c3nnn[n-]3)ccc2F)CCCc2ccccc21 ZINC000736208101 598290573 /nfs/dbraw/zinc/29/05/73/598290573.db2.gz WCGFOUBEPGQLBL-FQEVSTJZSA-N -1 3 366.396 3.343 20 0 FGADHM C[C@]1(C(=O)OCc2cc(-c3nn[n-]n3)ccc2F)CCCc2ccccc21 ZINC000736208101 598290574 /nfs/dbraw/zinc/29/05/74/598290574.db2.gz WCGFOUBEPGQLBL-FQEVSTJZSA-N -1 3 366.396 3.343 20 0 FGADHM O[C@@H](COc1ccc(-c2nn[n-]n2)cc1)CSc1cccc(Cl)c1 ZINC000738388038 598295007 /nfs/dbraw/zinc/29/50/07/598295007.db2.gz RTRWDXYWFIVTHI-ZDUSSCGKSA-N -1 3 362.842 3.052 20 0 FGADHM CSc1cccc(N(C)C(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)c1 ZINC000737192545 598297261 /nfs/dbraw/zinc/29/72/61/598297261.db2.gz TZQYQAKLYHELIV-GFCCVEGCSA-N -1 3 369.450 3.019 20 0 FGADHM CSc1cccc(N(C)C(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)c1 ZINC000737192545 598297263 /nfs/dbraw/zinc/29/72/63/598297263.db2.gz TZQYQAKLYHELIV-GFCCVEGCSA-N -1 3 369.450 3.019 20 0 FGADHM Cc1nc(-c2ccco2)ccc1C(=O)OCc1cccc(-c2nnn[n-]2)c1 ZINC000737464522 598302543 /nfs/dbraw/zinc/30/25/43/598302543.db2.gz NBWNQRPCGIHYEJ-UHFFFAOYSA-N -1 3 361.361 3.187 20 0 FGADHM Cc1nc(-c2ccco2)ccc1C(=O)OCc1cccc(-c2nn[n-]n2)c1 ZINC000737464522 598302545 /nfs/dbraw/zinc/30/25/45/598302545.db2.gz NBWNQRPCGIHYEJ-UHFFFAOYSA-N -1 3 361.361 3.187 20 0 FGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)C1(c2cccc(Cl)c2)CC1 ZINC000738101079 598302877 /nfs/dbraw/zinc/30/28/77/598302877.db2.gz XHUQNHMGIOTQMG-UHFFFAOYSA-N -1 3 371.803 3.007 20 0 FGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)C1(c2cccc(Cl)c2)CC1 ZINC000738101079 598302878 /nfs/dbraw/zinc/30/28/78/598302878.db2.gz XHUQNHMGIOTQMG-UHFFFAOYSA-N -1 3 371.803 3.007 20 0 FGADHM Cc1cc(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)c2ccccc2n1 ZINC000737227647 598310856 /nfs/dbraw/zinc/31/08/56/598310856.db2.gz OSLXBPCHZZLCCK-UHFFFAOYSA-N -1 3 362.368 3.139 20 0 FGADHM Cc1cc(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)c2ccccc2n1 ZINC000737227647 598310858 /nfs/dbraw/zinc/31/08/58/598310858.db2.gz OSLXBPCHZZLCCK-UHFFFAOYSA-N -1 3 362.368 3.139 20 0 FGADHM C[C@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F)c1cccc(Cl)c1 ZINC000736118937 598317135 /nfs/dbraw/zinc/31/71/35/598317135.db2.gz QDUWSGFGGWFZFA-JTQLQIEISA-N -1 3 374.807 3.220 20 0 FGADHM C[C@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1cccc(Cl)c1 ZINC000736118937 598317136 /nfs/dbraw/zinc/31/71/36/598317136.db2.gz QDUWSGFGGWFZFA-JTQLQIEISA-N -1 3 374.807 3.220 20 0 FGADHM C[C@H](c1ccccn1)N(C)C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736204533 598323605 /nfs/dbraw/zinc/32/36/05/598323605.db2.gz RGDNJICCJPTPAL-SNVBAGLBSA-N -1 3 373.873 3.305 20 0 FGADHM C[C@H](c1ccccn1)N(C)C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736204533 598323607 /nfs/dbraw/zinc/32/36/07/598323607.db2.gz RGDNJICCJPTPAL-SNVBAGLBSA-N -1 3 373.873 3.305 20 0 FGADHM COc1ccc(OC)c(NC(=S)Nc2cc(-c3nnn[n-]3)ccc2C)c1 ZINC000737108731 598324294 /nfs/dbraw/zinc/32/42/94/598324294.db2.gz ALJUJXDFVMHVHK-UHFFFAOYSA-N -1 3 370.438 3.001 20 0 FGADHM COc1ccc(OC)c(NC(=S)Nc2cc(-c3nn[n-]n3)ccc2C)c1 ZINC000737108731 598324296 /nfs/dbraw/zinc/32/42/96/598324296.db2.gz ALJUJXDFVMHVHK-UHFFFAOYSA-N -1 3 370.438 3.001 20 0 FGADHM C[C@H](c1ccccc1F)N(C)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000736202630 598327632 /nfs/dbraw/zinc/32/76/32/598327632.db2.gz KJPBKSHXVPLPTM-LLVKDONJSA-N -1 3 372.379 3.048 20 0 FGADHM C[C@H](c1ccccc1F)N(C)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000736202630 598327633 /nfs/dbraw/zinc/32/76/33/598327633.db2.gz KJPBKSHXVPLPTM-LLVKDONJSA-N -1 3 372.379 3.048 20 0 FGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)N1CCC[C@H]1c1ccccc1 ZINC000738099391 598329295 /nfs/dbraw/zinc/32/92/95/598329295.db2.gz DLZXYWMOPBOVGU-KRWDZBQOSA-N -1 3 366.400 3.053 20 0 FGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)N1CCC[C@H]1c1ccccc1 ZINC000738099391 598329296 /nfs/dbraw/zinc/32/92/96/598329296.db2.gz DLZXYWMOPBOVGU-KRWDZBQOSA-N -1 3 366.400 3.053 20 0 FGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)N1CCC[C@@H]1c1ccccc1 ZINC000738099394 598329350 /nfs/dbraw/zinc/32/93/50/598329350.db2.gz DLZXYWMOPBOVGU-QGZVFWFLSA-N -1 3 366.400 3.053 20 0 FGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)N1CCC[C@@H]1c1ccccc1 ZINC000738099394 598329351 /nfs/dbraw/zinc/32/93/51/598329351.db2.gz DLZXYWMOPBOVGU-QGZVFWFLSA-N -1 3 366.400 3.053 20 0 FGADHM O=C(c1sccc1-c1nnn[n-]1)N1CCC[C@H](Cc2ccccc2)C1 ZINC000738292123 598362873 /nfs/dbraw/zinc/36/28/73/598362873.db2.gz WKNGNCKVKLVJDG-CQSZACIVSA-N -1 3 353.451 3.023 20 0 FGADHM O=C(c1sccc1-c1nn[n-]n1)N1CCC[C@H](Cc2ccccc2)C1 ZINC000738292123 598362875 /nfs/dbraw/zinc/36/28/75/598362875.db2.gz WKNGNCKVKLVJDG-CQSZACIVSA-N -1 3 353.451 3.023 20 0 FGADHM COC(=O)c1sc2ccccc2c1COc1ccc(-c2nn[n-]n2)cc1 ZINC000736956808 598363710 /nfs/dbraw/zinc/36/37/10/598363710.db2.gz KIYJFHOXGLSXNG-UHFFFAOYSA-N -1 3 366.402 3.447 20 0 FGADHM Cn1cc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2)c(C2CCCCC2)n1 ZINC000737605336 598371261 /nfs/dbraw/zinc/37/12/61/598371261.db2.gz NCDLYNXGFBOIPW-UHFFFAOYSA-N -1 3 366.425 3.005 20 0 FGADHM Cn1cc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2)c(C2CCCCC2)n1 ZINC000737605336 598371263 /nfs/dbraw/zinc/37/12/63/598371263.db2.gz NCDLYNXGFBOIPW-UHFFFAOYSA-N -1 3 366.425 3.005 20 0 FGADHM C[C@H](C1CC1)N(C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C)C1CC1 ZINC000735963646 598375040 /nfs/dbraw/zinc/37/50/40/598375040.db2.gz IXZFJJMUBAWEPC-LLVKDONJSA-N -1 3 357.462 3.218 20 0 FGADHM C[C@H](C1CC1)N(C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C)C1CC1 ZINC000735963646 598375042 /nfs/dbraw/zinc/37/50/42/598375042.db2.gz IXZFJJMUBAWEPC-LLVKDONJSA-N -1 3 357.462 3.218 20 0 FGADHM CC(C)Oc1ccc(CCNc2ncc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000735914080 598388682 /nfs/dbraw/zinc/38/86/82/598388682.db2.gz HVZUAPBOYQTSER-UHFFFAOYSA-N -1 3 358.833 3.357 20 0 FGADHM CC(C)Oc1ccc(CCNc2ncc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000735914080 598388683 /nfs/dbraw/zinc/38/86/83/598388683.db2.gz HVZUAPBOYQTSER-UHFFFAOYSA-N -1 3 358.833 3.357 20 0 FGADHM Fc1ccc2[nH]c3c(c2c1)CN(c1ncc(-c2nnn[n-]2)cc1Cl)CC3 ZINC000737656951 598390488 /nfs/dbraw/zinc/39/04/88/598390488.db2.gz RCLATALNXRSNEI-UHFFFAOYSA-N -1 3 369.791 3.098 20 0 FGADHM Fc1ccc2[nH]c3c(c2c1)CN(c1ncc(-c2nn[n-]n2)cc1Cl)CC3 ZINC000737656951 598390489 /nfs/dbraw/zinc/39/04/89/598390489.db2.gz RCLATALNXRSNEI-UHFFFAOYSA-N -1 3 369.791 3.098 20 0 FGADHM C[C@H](NC(=O)N1CCc2ccccc2[C@@H]1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736114608 598391051 /nfs/dbraw/zinc/39/10/51/598391051.db2.gz UYGPSILJCAYCAV-KBPBESRZSA-N -1 3 362.437 3.257 20 0 FGADHM C[C@H](NC(=O)N1CCc2ccccc2[C@@H]1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736114608 598391053 /nfs/dbraw/zinc/39/10/53/598391053.db2.gz UYGPSILJCAYCAV-KBPBESRZSA-N -1 3 362.437 3.257 20 0 FGADHM COc1cccc([C@H]2C[C@H]2C(=O)Nc2sc(C)c(C)c2-c2nnn[n-]2)c1 ZINC000737129570 598394299 /nfs/dbraw/zinc/39/42/99/598394299.db2.gz LEFDDMDADNRMEP-ZIAGYGMSSA-N -1 3 369.450 3.296 20 0 FGADHM COc1cccc([C@H]2C[C@H]2C(=O)Nc2sc(C)c(C)c2-c2nn[n-]n2)c1 ZINC000737129570 598394301 /nfs/dbraw/zinc/39/43/01/598394301.db2.gz LEFDDMDADNRMEP-ZIAGYGMSSA-N -1 3 369.450 3.296 20 0 FGADHM COc1ccccc1C/C(C)=C\C(=O)OCc1ccccc1-c1nnn[n-]1 ZINC000737151771 598412632 /nfs/dbraw/zinc/41/26/32/598412632.db2.gz DWOFTUNQCHQVHP-OWBHPGMISA-N -1 3 364.405 3.108 20 0 FGADHM COc1ccccc1C/C(C)=C\C(=O)OCc1ccccc1-c1nn[n-]n1 ZINC000737151771 598412633 /nfs/dbraw/zinc/41/26/33/598412633.db2.gz DWOFTUNQCHQVHP-OWBHPGMISA-N -1 3 364.405 3.108 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCc2ccccc2[C@@H]1C ZINC000737061340 598413750 /nfs/dbraw/zinc/41/37/50/598413750.db2.gz APDXKNGNNFLAMS-LBPRGKRZSA-N -1 3 364.409 3.027 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCc2ccccc2[C@@H]1C ZINC000737061340 598413751 /nfs/dbraw/zinc/41/37/51/598413751.db2.gz APDXKNGNNFLAMS-LBPRGKRZSA-N -1 3 364.409 3.027 20 0 FGADHM Cc1ccc(F)cc1NC(=O)[C@H](C)Sc1ccc(-c2nnn[n-]2)cc1 ZINC000737347877 598414418 /nfs/dbraw/zinc/41/44/18/598414418.db2.gz RYQCDTQCVFILIZ-NSHDSACASA-N -1 3 357.414 3.434 20 0 FGADHM Cc1ccc(F)cc1NC(=O)[C@H](C)Sc1ccc(-c2nn[n-]n2)cc1 ZINC000737347877 598414419 /nfs/dbraw/zinc/41/44/19/598414419.db2.gz RYQCDTQCVFILIZ-NSHDSACASA-N -1 3 357.414 3.434 20 0 FGADHM COc1ccccc1C[C@H](C)CC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000737151248 598421175 /nfs/dbraw/zinc/42/11/75/598421175.db2.gz AHZZJCPVORGKFQ-NSHDSACASA-N -1 3 357.439 3.144 20 0 FGADHM COc1ccccc1C[C@H](C)CC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000737151248 598421177 /nfs/dbraw/zinc/42/11/77/598421177.db2.gz AHZZJCPVORGKFQ-NSHDSACASA-N -1 3 357.439 3.144 20 0 FGADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)c1sccc1SC(F)F ZINC000738116898 598421740 /nfs/dbraw/zinc/42/17/40/598421740.db2.gz MFDPDZCFLMCHGE-UHFFFAOYSA-N -1 3 367.406 3.173 20 0 FGADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)c1sccc1SC(F)F ZINC000738116898 598421743 /nfs/dbraw/zinc/42/17/43/598421743.db2.gz MFDPDZCFLMCHGE-UHFFFAOYSA-N -1 3 367.406 3.173 20 0 FGADHM Cc1cc(C)cc([C@H](C)NC(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737254396 598423319 /nfs/dbraw/zinc/42/33/19/598423319.db2.gz XCOIBWOAZORFJN-LSDHHAIUSA-N -1 3 365.437 3.128 20 0 FGADHM CN(Cc1ccc(F)cc1Cl)c1nc2c(cc1-c1nnn[n-]1)CCC2 ZINC000736818800 598425847 /nfs/dbraw/zinc/42/58/47/598425847.db2.gz BUAODNFUXXRQAE-UHFFFAOYSA-N -1 3 358.808 3.179 20 0 FGADHM CN(Cc1ccc(F)cc1Cl)c1nc2c(cc1-c1nn[n-]n1)CCC2 ZINC000736818800 598425848 /nfs/dbraw/zinc/42/58/48/598425848.db2.gz BUAODNFUXXRQAE-UHFFFAOYSA-N -1 3 358.808 3.179 20 0 FGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000736267716 598428358 /nfs/dbraw/zinc/42/83/58/598428358.db2.gz CFUIHTKJQLYRDG-RHSMWYFYSA-N -1 3 356.474 3.365 20 0 FGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000736267716 598428359 /nfs/dbraw/zinc/42/83/59/598428359.db2.gz CFUIHTKJQLYRDG-RHSMWYFYSA-N -1 3 356.474 3.365 20 0 FGADHM CC(C)(C)SCCNC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735642978 598440371 /nfs/dbraw/zinc/44/03/71/598440371.db2.gz INMOBPQHECKGBX-UHFFFAOYSA-N -1 3 370.935 3.338 20 0 FGADHM CC(C)(C)SCCNC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735642978 598440370 /nfs/dbraw/zinc/44/03/70/598440370.db2.gz INMOBPQHECKGBX-UHFFFAOYSA-N -1 3 370.935 3.338 20 0 FGADHM CCCCCCOCC(=O)N(CC)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736446556 598442578 /nfs/dbraw/zinc/44/25/78/598442578.db2.gz JCLRUYCSFDMJCT-OAHLLOKOSA-N -1 3 359.474 3.373 20 0 FGADHM CCCCCCOCC(=O)N(CC)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736446556 598442580 /nfs/dbraw/zinc/44/25/80/598442580.db2.gz JCLRUYCSFDMJCT-OAHLLOKOSA-N -1 3 359.474 3.373 20 0 FGADHM CCN(C(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCCC[C@@H]1C ZINC000736502060 598445426 /nfs/dbraw/zinc/44/54/26/598445426.db2.gz JLROYVIPRGDOKI-GRDNDAEWSA-N -1 3 357.458 3.061 20 0 FGADHM COC(C)(C)C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000736958361 598449262 /nfs/dbraw/zinc/44/92/62/598449262.db2.gz RUMKEKAJXLSHQG-UHFFFAOYSA-N -1 3 353.382 3.023 20 0 FGADHM COC(C)(C)C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000736958361 598449263 /nfs/dbraw/zinc/44/92/63/598449263.db2.gz RUMKEKAJXLSHQG-UHFFFAOYSA-N -1 3 353.382 3.023 20 0 FGADHM CN(Cc1cccc(-c2nnn[n-]2)c1)c1nc(-c2cccc(Cl)c2)no1 ZINC000736821995 598467478 /nfs/dbraw/zinc/46/74/78/598467478.db2.gz JUPJFUDTPAWDRF-UHFFFAOYSA-N -1 3 367.800 3.207 20 0 FGADHM CN(Cc1cccc(-c2nn[n-]n2)c1)c1nc(-c2cccc(Cl)c2)no1 ZINC000736821995 598467480 /nfs/dbraw/zinc/46/74/80/598467480.db2.gz JUPJFUDTPAWDRF-UHFFFAOYSA-N -1 3 367.800 3.207 20 0 FGADHM C[C@@H](OC(=O)[C@H](C)OCc1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000736165462 598484598 /nfs/dbraw/zinc/48/45/98/598484598.db2.gz VDYIWPZNJWNVNT-KGLIPLIRSA-N -1 3 352.394 3.076 20 0 FGADHM C[C@@H](OC(=O)[C@H](C)OCc1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000736165462 598484599 /nfs/dbraw/zinc/48/45/99/598484599.db2.gz VDYIWPZNJWNVNT-KGLIPLIRSA-N -1 3 352.394 3.076 20 0 FGADHM C[C@H](OCc1ccccc1)C(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000736165459 598484940 /nfs/dbraw/zinc/48/49/40/598484940.db2.gz VDYIWPZNJWNVNT-KBPBESRZSA-N -1 3 352.394 3.076 20 0 FGADHM C[C@H](OCc1ccccc1)C(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000736165459 598484942 /nfs/dbraw/zinc/48/49/42/598484942.db2.gz VDYIWPZNJWNVNT-KBPBESRZSA-N -1 3 352.394 3.076 20 0 FGADHM Cc1cc2ccccc2n1CC(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000737286138 598486500 /nfs/dbraw/zinc/48/65/00/598486500.db2.gz ZPTGPLJVHTVDSK-CQSZACIVSA-N -1 3 361.405 3.434 20 0 FGADHM Cc1cc2ccccc2n1CC(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000737286138 598486502 /nfs/dbraw/zinc/48/65/02/598486502.db2.gz ZPTGPLJVHTVDSK-CQSZACIVSA-N -1 3 361.405 3.434 20 0 FGADHM Cc1noc(C)c1CSCC(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000737537306 598488536 /nfs/dbraw/zinc/48/85/36/598488536.db2.gz NJZRDEGKXXBRQE-NSHDSACASA-N -1 3 373.438 3.009 20 0 FGADHM Cc1noc(C)c1CSCC(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000737537306 598488538 /nfs/dbraw/zinc/48/85/38/598488538.db2.gz NJZRDEGKXXBRQE-NSHDSACASA-N -1 3 373.438 3.009 20 0 FGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)[C@H]1C[C@H]1c1ccc(F)cc1 ZINC000735655294 598488998 /nfs/dbraw/zinc/48/89/98/598488998.db2.gz MPWKFATXYULCBX-GJZGRUSLSA-N -1 3 368.416 3.305 20 0 FGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)[C@H]1C[C@H]1c1ccc(F)cc1 ZINC000735655294 598489000 /nfs/dbraw/zinc/48/90/00/598489000.db2.gz MPWKFATXYULCBX-GJZGRUSLSA-N -1 3 368.416 3.305 20 0 FGADHM CCCCS[C@@H](C)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736463939 598489810 /nfs/dbraw/zinc/48/98/10/598489810.db2.gz SZIZPGVCIVWAGN-NSHDSACASA-N -1 3 350.492 3.284 20 0 FGADHM CCCCS[C@@H](C)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736463939 598489811 /nfs/dbraw/zinc/48/98/11/598489811.db2.gz SZIZPGVCIVWAGN-NSHDSACASA-N -1 3 350.492 3.284 20 0 FGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)Cn1ccc2ccccc21 ZINC000735660312 598490422 /nfs/dbraw/zinc/49/04/22/598490422.db2.gz LRGNVYNJXHXMGG-UHFFFAOYSA-N -1 3 363.425 3.017 20 0 FGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)Cn1ccc2ccccc21 ZINC000735660312 598490423 /nfs/dbraw/zinc/49/04/23/598490423.db2.gz LRGNVYNJXHXMGG-UHFFFAOYSA-N -1 3 363.425 3.017 20 0 FGADHM CCSc1ccc(C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)cn1 ZINC000736666861 598491138 /nfs/dbraw/zinc/49/11/38/598491138.db2.gz OUDMTSQNCGMXHV-UHFFFAOYSA-N -1 3 371.470 3.183 20 0 FGADHM CCSc1ccc(C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)cn1 ZINC000736666861 598491140 /nfs/dbraw/zinc/49/11/40/598491140.db2.gz OUDMTSQNCGMXHV-UHFFFAOYSA-N -1 3 371.470 3.183 20 0 FGADHM O=[S@@](Cc1cccc(-c2nnn[n-]2)c1)c1cccc(C(F)(F)F)c1 ZINC000738356968 598491566 /nfs/dbraw/zinc/49/15/66/598491566.db2.gz MZKGZWDVINUDIO-DEOSSOPVSA-N -1 3 352.341 3.193 20 0 FGADHM O=[S@@](Cc1cccc(-c2nn[n-]n2)c1)c1cccc(C(F)(F)F)c1 ZINC000738356968 598491567 /nfs/dbraw/zinc/49/15/67/598491567.db2.gz MZKGZWDVINUDIO-DEOSSOPVSA-N -1 3 352.341 3.193 20 0 FGADHM C[C@@H](Nc1ncccc1-c1nnn[n-]1)c1ccc(F)c(Br)c1 ZINC000737194102 598503774 /nfs/dbraw/zinc/50/37/74/598503774.db2.gz BCCKVSBZRBSXHC-MRVPVSSYSA-N -1 3 363.194 3.336 20 0 FGADHM C[C@@H](Nc1ncccc1-c1nn[n-]n1)c1ccc(F)c(Br)c1 ZINC000737194102 598503775 /nfs/dbraw/zinc/50/37/75/598503775.db2.gz BCCKVSBZRBSXHC-MRVPVSSYSA-N -1 3 363.194 3.336 20 0 FGADHM Clc1cc(NCc2cnn(-c3ccccc3)c2)ccc1-c1nnn[n-]1 ZINC000737564780 598508106 /nfs/dbraw/zinc/50/81/06/598508106.db2.gz JZZJYWIBPHCYGJ-UHFFFAOYSA-N -1 3 351.801 3.318 20 0 FGADHM Clc1cc(NCc2cnn(-c3ccccc3)c2)ccc1-c1nn[n-]n1 ZINC000737564780 598508108 /nfs/dbraw/zinc/50/81/08/598508108.db2.gz JZZJYWIBPHCYGJ-UHFFFAOYSA-N -1 3 351.801 3.318 20 0 FGADHM CCCC[C@H]1CCC[C@H]1NC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736442290 598528340 /nfs/dbraw/zinc/52/83/40/598528340.db2.gz WHRWBCCZRJWFIP-DOTOQJQBSA-N -1 3 356.474 3.367 20 0 FGADHM CCCC[C@H]1CCC[C@H]1NC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736442290 598528341 /nfs/dbraw/zinc/52/83/41/598528341.db2.gz WHRWBCCZRJWFIP-DOTOQJQBSA-N -1 3 356.474 3.367 20 0 FGADHM Cc1cc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)c(C)s1 ZINC000737236556 598546616 /nfs/dbraw/zinc/54/66/16/598546616.db2.gz MVPQKTKVEWTCGL-UHFFFAOYSA-N -1 3 365.365 3.399 20 0 FGADHM Cc1cc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)c(C)s1 ZINC000737236556 598546617 /nfs/dbraw/zinc/54/66/17/598546617.db2.gz MVPQKTKVEWTCGL-UHFFFAOYSA-N -1 3 365.365 3.399 20 0 FGADHM CCOCCCC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736610586 598552938 /nfs/dbraw/zinc/55/29/38/598552938.db2.gz IYCXEXWXXLYZHI-UHFFFAOYSA-N -1 3 367.409 3.414 20 0 FGADHM CCOCCCC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736610586 598552939 /nfs/dbraw/zinc/55/29/39/598552939.db2.gz IYCXEXWXXLYZHI-UHFFFAOYSA-N -1 3 367.409 3.414 20 0 FGADHM CCO[C@H]1C[C@@H]1C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736614825 598554897 /nfs/dbraw/zinc/55/48/97/598554897.db2.gz VVKXDVKVHXDHNJ-IRXDYDNUSA-N -1 3 365.393 3.023 20 0 FGADHM CCO[C@H]1C[C@@H]1C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736614825 598554900 /nfs/dbraw/zinc/55/49/00/598554900.db2.gz VVKXDVKVHXDHNJ-IRXDYDNUSA-N -1 3 365.393 3.023 20 0 FGADHM O=C(Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)c1ccc[nH]c1=O ZINC000738171190 598557259 /nfs/dbraw/zinc/55/72/59/598557259.db2.gz FNPIPRQQGVOPIL-UHFFFAOYSA-N -1 3 374.360 3.012 20 0 FGADHM O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)c1ccc[nH]c1=O ZINC000738171190 598557260 /nfs/dbraw/zinc/55/72/60/598557260.db2.gz FNPIPRQQGVOPIL-UHFFFAOYSA-N -1 3 374.360 3.012 20 0 FGADHM Cc1cccc(CNC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)c1 ZINC000737393901 598561174 /nfs/dbraw/zinc/56/11/74/598561174.db2.gz OIOQDRZFURHIBS-UHFFFAOYSA-N -1 3 374.351 3.098 20 0 FGADHM Cc1cccc(CNC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)c1 ZINC000737393901 598561175 /nfs/dbraw/zinc/56/11/75/598561175.db2.gz OIOQDRZFURHIBS-UHFFFAOYSA-N -1 3 374.351 3.098 20 0 FGADHM C[C@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1)C(C)(C)c1ccccc1 ZINC000736120127 598561635 /nfs/dbraw/zinc/56/16/35/598561635.db2.gz XIOBDJVLBDMZKD-AWEZNQCLSA-N -1 3 364.453 3.032 20 0 FGADHM C[C@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1)C(C)(C)c1ccccc1 ZINC000736120127 598561637 /nfs/dbraw/zinc/56/16/37/598561637.db2.gz XIOBDJVLBDMZKD-AWEZNQCLSA-N -1 3 364.453 3.032 20 0 FGADHM CC/C=C\COC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000736408174 598564859 /nfs/dbraw/zinc/56/48/59/598564859.db2.gz CMWWVJKJBMRTNY-ARJAWSKDSA-N -1 3 354.366 3.162 20 0 FGADHM Cc1cccc(C)c1OCCn1ccc(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000737390201 598566802 /nfs/dbraw/zinc/56/68/02/598566802.db2.gz SMSDTDZAWMZRTA-UHFFFAOYSA-N -1 3 360.421 3.426 20 0 FGADHM Cc1cccc(C)c1OCCn1ccc(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737390201 598566804 /nfs/dbraw/zinc/56/68/04/598566804.db2.gz SMSDTDZAWMZRTA-UHFFFAOYSA-N -1 3 360.421 3.426 20 0 FGADHM Cc1ccc(C)c(NC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737322157 598569126 /nfs/dbraw/zinc/56/91/26/598569126.db2.gz ILNNWLIJVCHEFR-GOSISDBHSA-N -1 3 362.437 3.091 20 0 FGADHM Cc1ccc([C@H](O)CNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cc1 ZINC000737319790 598575250 /nfs/dbraw/zinc/57/52/50/598575250.db2.gz KFHIWMDXHUQDBW-OAHLLOKOSA-N -1 3 363.343 3.339 20 0 FGADHM Cc1ccc([C@H](O)CNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cc1 ZINC000737319790 598575251 /nfs/dbraw/zinc/57/52/51/598575251.db2.gz KFHIWMDXHUQDBW-OAHLLOKOSA-N -1 3 363.343 3.339 20 0 FGADHM COc1ccc2oc(C)c(C(=O)Nc3ccc(F)c(-c4nnn[n-]4)c3)c2c1 ZINC000737120616 598585233 /nfs/dbraw/zinc/58/52/33/598585233.db2.gz PTKGMKGVVJUAHX-UHFFFAOYSA-N -1 3 367.340 3.321 20 0 FGADHM COc1ccc2oc(C)c(C(=O)Nc3ccc(F)c(-c4nn[n-]n4)c3)c2c1 ZINC000737120616 598585235 /nfs/dbraw/zinc/58/52/35/598585235.db2.gz PTKGMKGVVJUAHX-UHFFFAOYSA-N -1 3 367.340 3.321 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N(C)CCc1ccccc1F ZINC000737291464 598599507 /nfs/dbraw/zinc/59/95/07/598599507.db2.gz MBTICBTXOVDQIK-UHFFFAOYSA-N -1 3 354.389 3.021 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N(C)CCc1ccccc1F ZINC000737291464 598599509 /nfs/dbraw/zinc/59/95/09/598599509.db2.gz MBTICBTXOVDQIK-UHFFFAOYSA-N -1 3 354.389 3.021 20 0 FGADHM COc1ccc(-c2noc([C@@H](C)Oc3ccc(-c4nn[n-]n4)cc3)n2)cc1 ZINC000737062452 598609796 /nfs/dbraw/zinc/60/97/96/598609796.db2.gz MSXBHHJHLATIIF-LLVKDONJSA-N -1 3 364.365 3.065 20 0 FGADHM O=C(C=Cc1ccc(Cl)s1)OCC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826400522 607361048 /nfs/dbraw/zinc/36/10/48/607361048.db2.gz ATABVWOJPJCUMM-ALCCZGGFSA-N -1 3 374.809 3.021 20 0 FGADHM O=C(C=Cc1ccc(Cl)s1)OCC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826400522 607361050 /nfs/dbraw/zinc/36/10/50/607361050.db2.gz ATABVWOJPJCUMM-ALCCZGGFSA-N -1 3 374.809 3.021 20 0 FGADHM CCC[C@H]1CCCC[C@@H]1NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC000736437710 598622801 /nfs/dbraw/zinc/62/28/01/598622801.db2.gz WUGQUMBTPPIMGN-JSGCOSHPSA-N -1 3 358.446 3.356 20 0 FGADHM CCC[C@H]1CCCC[C@@H]1NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC000736437710 598622802 /nfs/dbraw/zinc/62/28/02/598622802.db2.gz WUGQUMBTPPIMGN-JSGCOSHPSA-N -1 3 358.446 3.356 20 0 FGADHM CC(C)(CCNC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000735666057 598633916 /nfs/dbraw/zinc/63/39/16/598633916.db2.gz LIXAOLOOZDFPME-UHFFFAOYSA-N -1 3 368.416 3.495 20 0 FGADHM CC(C)(CCNC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000735666057 598633917 /nfs/dbraw/zinc/63/39/17/598633917.db2.gz LIXAOLOOZDFPME-UHFFFAOYSA-N -1 3 368.416 3.495 20 0 FGADHM CCCNC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000736488333 598634211 /nfs/dbraw/zinc/63/42/11/598634211.db2.gz OYJFMEIZGXYJMO-UHFFFAOYSA-N -1 3 370.388 3.116 20 0 FGADHM CCCNC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000736488333 598634213 /nfs/dbraw/zinc/63/42/13/598634213.db2.gz OYJFMEIZGXYJMO-UHFFFAOYSA-N -1 3 370.388 3.116 20 0 FGADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)Nc1ccc(F)c(F)c1 ZINC000737832190 598645349 /nfs/dbraw/zinc/64/53/49/598645349.db2.gz FNUXFFRTRADMFG-UHFFFAOYSA-N -1 3 373.363 3.333 20 0 FGADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)Nc1ccc(F)c(F)c1 ZINC000737832190 598645351 /nfs/dbraw/zinc/64/53/51/598645351.db2.gz FNUXFFRTRADMFG-UHFFFAOYSA-N -1 3 373.363 3.333 20 0 FGADHM Cc1nc(NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)sc1C ZINC000737481099 598647125 /nfs/dbraw/zinc/64/71/25/598647125.db2.gz WDRQZIHXKGFKML-UHFFFAOYSA-N -1 3 372.454 3.128 20 0 FGADHM Cc1nc(NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)sc1C ZINC000737481099 598647127 /nfs/dbraw/zinc/64/71/27/598647127.db2.gz WDRQZIHXKGFKML-UHFFFAOYSA-N -1 3 372.454 3.128 20 0 FGADHM CCC(=O)c1ccc(OC(=O)CSc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736308515 598647235 /nfs/dbraw/zinc/64/72/35/598647235.db2.gz DMUFXLORRSJOKL-UHFFFAOYSA-N -1 3 368.418 3.157 20 0 FGADHM CCC(=O)c1ccc(OC(=O)CSc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736308515 598647237 /nfs/dbraw/zinc/64/72/37/598647237.db2.gz DMUFXLORRSJOKL-UHFFFAOYSA-N -1 3 368.418 3.157 20 0 FGADHM Cc1ccccc1[C@@H](C)NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000737424836 598648904 /nfs/dbraw/zinc/64/89/04/598648904.db2.gz XVXATVASMJFVFG-CYBMUJFWSA-N -1 3 353.451 3.145 20 0 FGADHM Cc1ccccc1[C@@H](C)NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000737424836 598648906 /nfs/dbraw/zinc/64/89/06/598648906.db2.gz XVXATVASMJFVFG-CYBMUJFWSA-N -1 3 353.451 3.145 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cc(F)c(F)c(F)c1 ZINC000738151419 598649801 /nfs/dbraw/zinc/64/98/01/598649801.db2.gz IDWMMRJRBWMINC-UHFFFAOYSA-N -1 3 353.691 3.190 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cc(F)c(F)c(F)c1 ZINC000738151419 598649803 /nfs/dbraw/zinc/64/98/03/598649803.db2.gz IDWMMRJRBWMINC-UHFFFAOYSA-N -1 3 353.691 3.190 20 0 FGADHM CC(=O)c1ccc(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)cc1 ZINC000735497693 598650799 /nfs/dbraw/zinc/65/07/99/598650799.db2.gz UAWFLHHPTKFHBQ-UHFFFAOYSA-N -1 3 363.421 3.120 20 0 FGADHM CC(=O)c1ccc(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)cc1 ZINC000735497693 598650801 /nfs/dbraw/zinc/65/08/01/598650801.db2.gz UAWFLHHPTKFHBQ-UHFFFAOYSA-N -1 3 363.421 3.120 20 0 FGADHM CN(C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC000736733581 598653214 /nfs/dbraw/zinc/65/32/14/598653214.db2.gz VNFQQUUOYOAGKC-UHFFFAOYSA-N -1 3 369.400 3.218 20 0 FGADHM CN(C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC000736733581 598653216 /nfs/dbraw/zinc/65/32/16/598653216.db2.gz VNFQQUUOYOAGKC-UHFFFAOYSA-N -1 3 369.400 3.218 20 0 FGADHM CC[C@@H](C)[C@@H](C)NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000736328694 598654383 /nfs/dbraw/zinc/65/43/83/598654383.db2.gz HWRZHLGWLQBGDI-CHWSQXEVSA-N -1 3 366.425 3.218 20 0 FGADHM CC[C@@H](C)[C@@H](C)NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000736328694 598654386 /nfs/dbraw/zinc/65/43/86/598654386.db2.gz HWRZHLGWLQBGDI-CHWSQXEVSA-N -1 3 366.425 3.218 20 0 FGADHM CN(C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)c1ccccc1F ZINC000736731370 598656502 /nfs/dbraw/zinc/65/65/02/598656502.db2.gz BACRUSUXOGKUAD-UHFFFAOYSA-N -1 3 369.400 3.218 20 0 FGADHM CN(C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)c1ccccc1F ZINC000736731370 598656503 /nfs/dbraw/zinc/65/65/03/598656503.db2.gz BACRUSUXOGKUAD-UHFFFAOYSA-N -1 3 369.400 3.218 20 0 FGADHM CCN(C(=O)CSc1ccc(-c2nnn[n-]2)cc1)[C@@H]1CCCC[C@H]1C ZINC000736506212 598657683 /nfs/dbraw/zinc/65/76/83/598657683.db2.gz YOJKMMIRDYKGCL-CZUORRHYSA-N -1 3 359.499 3.386 20 0 FGADHM CCN(C(=O)CSc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCCC[C@H]1C ZINC000736506212 598657684 /nfs/dbraw/zinc/65/76/84/598657684.db2.gz YOJKMMIRDYKGCL-CZUORRHYSA-N -1 3 359.499 3.386 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cn1)c1ccc(COc2ccccc2)cc1 ZINC000738150147 598660644 /nfs/dbraw/zinc/66/06/44/598660644.db2.gz AFIYZKUFANQUMD-UHFFFAOYSA-N -1 3 372.388 3.093 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cn1)c1ccc(COc2ccccc2)cc1 ZINC000738150147 598660645 /nfs/dbraw/zinc/66/06/45/598660645.db2.gz AFIYZKUFANQUMD-UHFFFAOYSA-N -1 3 372.388 3.093 20 0 FGADHM CC(C)[C@H]1CCCC[C@@H]1NC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000735749096 598661682 /nfs/dbraw/zinc/66/16/82/598661682.db2.gz MLBRUJJUMGDXKV-SJORKVTESA-N -1 3 373.526 3.431 20 0 FGADHM CC(C)[C@H]1CCCC[C@@H]1NC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000735749096 598661683 /nfs/dbraw/zinc/66/16/83/598661683.db2.gz MLBRUJJUMGDXKV-SJORKVTESA-N -1 3 373.526 3.431 20 0 FGADHM CN(C(=O)c1ccc(-c2nnn[n-]2)cc1)c1cccc(OC(F)(F)F)c1 ZINC000736747715 598662055 /nfs/dbraw/zinc/66/20/55/598662055.db2.gz IBHWSBMCQKMBNW-UHFFFAOYSA-N -1 3 363.299 3.042 20 0 FGADHM CN(C(=O)c1ccc(-c2nn[n-]n2)cc1)c1cccc(OC(F)(F)F)c1 ZINC000736747715 598662058 /nfs/dbraw/zinc/66/20/58/598662058.db2.gz IBHWSBMCQKMBNW-UHFFFAOYSA-N -1 3 363.299 3.042 20 0 FGADHM O=C(Nc1ccc(Oc2ccccc2)cn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738174056 598672923 /nfs/dbraw/zinc/67/29/23/598672923.db2.gz IDWGVHUMACMAKB-UHFFFAOYSA-N -1 3 358.361 3.306 20 0 FGADHM O=C(Nc1ccc(Oc2ccccc2)cn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738174056 598672924 /nfs/dbraw/zinc/67/29/24/598672924.db2.gz IDWGVHUMACMAKB-UHFFFAOYSA-N -1 3 358.361 3.306 20 0 FGADHM CC(C)NC(=O)c1ccc(Cl)c(NCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735889320 598699225 /nfs/dbraw/zinc/69/92/25/598699225.db2.gz YQUFICWCNZXCKS-UHFFFAOYSA-N -1 3 370.844 3.270 20 0 FGADHM CC(C)NC(=O)c1ccc(Cl)c(NCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735889320 598699227 /nfs/dbraw/zinc/69/92/27/598699227.db2.gz YQUFICWCNZXCKS-UHFFFAOYSA-N -1 3 370.844 3.270 20 0 FGADHM O=C(Cc1ccc2c(c1)CCCC2)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737966946 598703593 /nfs/dbraw/zinc/70/35/93/598703593.db2.gz NENBKSZNFPQLGJ-UHFFFAOYSA-N -1 3 366.396 3.171 20 0 FGADHM O=C(Cc1ccc2c(c1)CCCC2)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737966946 598703594 /nfs/dbraw/zinc/70/35/94/598703594.db2.gz NENBKSZNFPQLGJ-UHFFFAOYSA-N -1 3 366.396 3.171 20 0 FGADHM Cc1cc(F)ccc1N(Cc1ccc(-c2nnn[n-]2)cc1)C[C@@H]1CCOC1 ZINC000737271520 598703998 /nfs/dbraw/zinc/70/39/98/598703998.db2.gz WIWSALONQIRRKT-INIZCTEOSA-N -1 3 367.428 3.357 20 0 FGADHM Cc1cc(F)ccc1N(Cc1ccc(-c2nn[n-]n2)cc1)C[C@@H]1CCOC1 ZINC000737271520 598703999 /nfs/dbraw/zinc/70/39/99/598703999.db2.gz WIWSALONQIRRKT-INIZCTEOSA-N -1 3 367.428 3.357 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)c1cccc(C(F)(F)F)c1 ZINC000738236400 598704465 /nfs/dbraw/zinc/70/44/65/598704465.db2.gz XWLUWFFGNKJRSY-UHFFFAOYSA-N -1 3 366.274 3.382 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)c1cccc(C(F)(F)F)c1 ZINC000738236400 598704467 /nfs/dbraw/zinc/70/44/67/598704467.db2.gz XWLUWFFGNKJRSY-UHFFFAOYSA-N -1 3 366.274 3.382 20 0 FGADHM O=C(C=Cc1ccc(Cl)s1)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737800684 598704768 /nfs/dbraw/zinc/70/47/68/598704768.db2.gz ZZDQKSUWBSBMLJ-GQCTYLIASA-N -1 3 364.789 3.477 20 0 FGADHM O=C(C=Cc1ccc(Cl)s1)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737800684 598704770 /nfs/dbraw/zinc/70/47/70/598704770.db2.gz ZZDQKSUWBSBMLJ-GQCTYLIASA-N -1 3 364.789 3.477 20 0 FGADHM CC(C)(C(=O)OCc1ccc(-c2nnn[n-]2)cc1F)c1ccc(F)cc1 ZINC000735582631 598712109 /nfs/dbraw/zinc/71/21/09/598712109.db2.gz LPSVYRVZOFQBMT-UHFFFAOYSA-N -1 3 358.348 3.166 20 0 FGADHM CC(C)(C(=O)OCc1ccc(-c2nn[n-]n2)cc1F)c1ccc(F)cc1 ZINC000735582631 598712111 /nfs/dbraw/zinc/71/21/11/598712111.db2.gz LPSVYRVZOFQBMT-UHFFFAOYSA-N -1 3 358.348 3.166 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H]1CCCC[C@H]1C(C)C ZINC000737062293 598716861 /nfs/dbraw/zinc/71/68/61/598716861.db2.gz IIWNRHVMLCCVAS-KBPBESRZSA-N -1 3 358.446 3.212 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H]1CCCC[C@H]1C(C)C ZINC000737062293 598716863 /nfs/dbraw/zinc/71/68/63/598716863.db2.gz IIWNRHVMLCCVAS-KBPBESRZSA-N -1 3 358.446 3.212 20 0 FGADHM O=C(Nc1ccc(O)cc1)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000738175366 598723534 /nfs/dbraw/zinc/72/35/34/598723534.db2.gz XSMMLIMAVKLNOA-UHFFFAOYSA-N -1 3 374.360 3.012 20 0 FGADHM O=C(Nc1ccc(O)cc1)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000738175366 598723535 /nfs/dbraw/zinc/72/35/35/598723535.db2.gz XSMMLIMAVKLNOA-UHFFFAOYSA-N -1 3 374.360 3.012 20 0 FGADHM Cc1noc(C)c1NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC000737538076 598726163 /nfs/dbraw/zinc/72/61/63/598726163.db2.gz RKFIFHCTKGTZGK-UHFFFAOYSA-N -1 3 369.429 3.162 20 0 FGADHM Cc1noc(C)c1NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC000737538076 598726164 /nfs/dbraw/zinc/72/61/64/598726164.db2.gz RKFIFHCTKGTZGK-UHFFFAOYSA-N -1 3 369.429 3.162 20 0 FGADHM O=C(COc1cccc(-c2nnn[n-]2)c1)O[C@H]1CCc2c1cccc2Cl ZINC000737924736 598740454 /nfs/dbraw/zinc/74/04/54/598740454.db2.gz JQUROYJSLIPHBA-INIZCTEOSA-N -1 3 370.796 3.130 20 0 FGADHM O=C(COc1cccc(-c2nn[n-]n2)c1)O[C@H]1CCc2c1cccc2Cl ZINC000737924736 598740456 /nfs/dbraw/zinc/74/04/56/598740456.db2.gz JQUROYJSLIPHBA-INIZCTEOSA-N -1 3 370.796 3.130 20 0 FGADHM CCCC[C@H](CC)C(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736439076 598745470 /nfs/dbraw/zinc/74/54/70/598745470.db2.gz MRNKIYLJKCGLBZ-HNNXBMFYSA-N -1 3 371.485 3.453 20 0 FGADHM Fc1cccc(N2CCO[C@H](c3ccccc3Cl)C2)c1-c1nnn[n-]1 ZINC000737661756 598756127 /nfs/dbraw/zinc/75/61/27/598756127.db2.gz PUYVZWKQNWGONX-HNNXBMFYSA-N -1 3 359.792 3.237 20 0 FGADHM Fc1cccc(N2CCO[C@H](c3ccccc3Cl)C2)c1-c1nn[n-]n1 ZINC000737661756 598756130 /nfs/dbraw/zinc/75/61/30/598756130.db2.gz PUYVZWKQNWGONX-HNNXBMFYSA-N -1 3 359.792 3.237 20 0 FGADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)NC1(c2ccc(Cl)cc2)CC1 ZINC000738116946 598761088 /nfs/dbraw/zinc/76/10/88/598761088.db2.gz MPWMJZANGGYULF-UHFFFAOYSA-N -1 3 368.828 3.009 20 0 FGADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)NC1(c2ccc(Cl)cc2)CC1 ZINC000738116946 598761092 /nfs/dbraw/zinc/76/10/92/598761092.db2.gz MPWMJZANGGYULF-UHFFFAOYSA-N -1 3 368.828 3.009 20 0 FGADHM C[C@@H](Sc1ccccn1)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736194027 598762733 /nfs/dbraw/zinc/76/27/33/598762733.db2.gz WPTHJVRYEVJHRE-SECBINFHSA-N -1 3 360.830 3.034 20 0 FGADHM C[C@@H](Sc1ccccn1)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736194027 598762734 /nfs/dbraw/zinc/76/27/34/598762734.db2.gz WPTHJVRYEVJHRE-SECBINFHSA-N -1 3 360.830 3.034 20 0 FGADHM CC[C@H](Cc1ccccc1)C(=O)Oc1ccc(-c2nnn[n-]2)cc1OC ZINC000736349592 598762912 /nfs/dbraw/zinc/76/29/12/598762912.db2.gz HCGHTFVZBDPNOL-CQSZACIVSA-N -1 3 352.394 3.050 20 0 FGADHM CC[C@H](Cc1ccccc1)C(=O)Oc1ccc(-c2nn[n-]n2)cc1OC ZINC000736349592 598762913 /nfs/dbraw/zinc/76/29/13/598762913.db2.gz HCGHTFVZBDPNOL-CQSZACIVSA-N -1 3 352.394 3.050 20 0 FGADHM COc1ccccc1CNc1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21 ZINC000737153532 598770438 /nfs/dbraw/zinc/77/04/38/598770438.db2.gz SGTCOEAZGOLRKW-UHFFFAOYSA-N -1 3 368.347 3.314 20 0 FGADHM COc1ccccc1CNc1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21 ZINC000737153532 598770440 /nfs/dbraw/zinc/77/04/40/598770440.db2.gz SGTCOEAZGOLRKW-UHFFFAOYSA-N -1 3 368.347 3.314 20 0 FGADHM Cc1ccc(CNc2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)cn1 ZINC000737342785 598770868 /nfs/dbraw/zinc/77/08/68/598770868.db2.gz PSTDGZSZQYREOG-UHFFFAOYSA-N -1 3 353.336 3.009 20 0 FGADHM Cc1ccc(CNc2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)cn1 ZINC000737342785 598770869 /nfs/dbraw/zinc/77/08/69/598770869.db2.gz PSTDGZSZQYREOG-UHFFFAOYSA-N -1 3 353.336 3.009 20 0 FGADHM Cc1ccccc1[C@@H](NC(=O)NCc1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000737418415 598778950 /nfs/dbraw/zinc/77/89/50/598778950.db2.gz ANJLMMBWZSLPCM-SFHVURJKSA-N -1 3 362.437 3.126 20 0 FGADHM Cc1ccccc1[C@@H](NC(=O)NCc1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000737418415 598778951 /nfs/dbraw/zinc/77/89/51/598778951.db2.gz ANJLMMBWZSLPCM-SFHVURJKSA-N -1 3 362.437 3.126 20 0 FGADHM CCN(C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1)C(C)C ZINC000736505491 598781841 /nfs/dbraw/zinc/78/18/41/598781841.db2.gz KCVLZVNQQZHIFH-UHFFFAOYSA-N -1 3 367.413 3.316 20 0 FGADHM Cc1sc(NC(=O)c2cc3nc(C)ccc3o2)c(-c2nnn[n-]2)c1C ZINC000737381151 598790556 /nfs/dbraw/zinc/79/05/56/598790556.db2.gz VMVZILCOPJNPDN-UHFFFAOYSA-N -1 3 354.395 3.247 20 0 FGADHM Cc1sc(NC(=O)c2cc3nc(C)ccc3o2)c(-c2nn[n-]n2)c1C ZINC000737381151 598790557 /nfs/dbraw/zinc/79/05/57/598790557.db2.gz VMVZILCOPJNPDN-UHFFFAOYSA-N -1 3 354.395 3.247 20 0 FGADHM CC[C@H](OC1CCCC1)C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000736375566 598802382 /nfs/dbraw/zinc/80/23/82/598802382.db2.gz IBXZAXWKYXWSAJ-SFHVURJKSA-N -1 3 371.485 3.342 20 0 FGADHM CC[C@H](OC1CCCC1)C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000736375566 598802385 /nfs/dbraw/zinc/80/23/85/598802385.db2.gz IBXZAXWKYXWSAJ-SFHVURJKSA-N -1 3 371.485 3.342 20 0 FGADHM CCC(C)(CC)NC(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000736315583 598806446 /nfs/dbraw/zinc/80/64/46/598806446.db2.gz RUNHEIUOHXRBAF-UHFFFAOYSA-N -1 3 369.425 3.347 20 0 FGADHM CCC(C)(CC)NC(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000736315583 598806447 /nfs/dbraw/zinc/80/64/47/598806447.db2.gz RUNHEIUOHXRBAF-UHFFFAOYSA-N -1 3 369.425 3.347 20 0 FGADHM CC[C@@H](CC(=O)Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000736332424 598807209 /nfs/dbraw/zinc/80/72/09/598807209.db2.gz MVEIHWXFROKTIZ-ZDUSSCGKSA-N -1 3 353.430 3.063 20 0 FGADHM Cc1csc([C@@H]2CCCCN2C(=O)c2sccc2-c2nnn[n-]2)n1 ZINC000737454975 598822003 /nfs/dbraw/zinc/82/20/03/598822003.db2.gz KUIVUUORXRIFKW-NSHDSACASA-N -1 3 360.468 3.061 20 0 FGADHM Cc1csc([C@@H]2CCCCN2C(=O)c2sccc2-c2nn[n-]n2)n1 ZINC000737454975 598822004 /nfs/dbraw/zinc/82/20/04/598822004.db2.gz KUIVUUORXRIFKW-NSHDSACASA-N -1 3 360.468 3.061 20 0 FGADHM Cc1ccc(N(C)C(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)cc1Cl ZINC000737347874 598822620 /nfs/dbraw/zinc/82/26/20/598822620.db2.gz RWOMNMUZBZJCQL-LBPRGKRZSA-N -1 3 371.828 3.259 20 0 FGADHM Cc1ccc(N(C)C(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)cc1Cl ZINC000737347874 598822621 /nfs/dbraw/zinc/82/26/21/598822621.db2.gz RWOMNMUZBZJCQL-LBPRGKRZSA-N -1 3 371.828 3.259 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)N1CCC[C@@H]1C1CC1 ZINC000823303600 599295800 /nfs/dbraw/zinc/29/58/00/599295800.db2.gz OBZVPJXNSXOYIN-CYBMUJFWSA-N -1 3 366.347 3.292 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)N1CCC[C@@H]1C1CC1 ZINC000823303600 599295802 /nfs/dbraw/zinc/29/58/02/599295802.db2.gz OBZVPJXNSXOYIN-CYBMUJFWSA-N -1 3 366.347 3.292 20 0 FGADHM CCN(C(=O)CCc1c[nH]c2ccccc12)c1ccc(-c2nnn[n-]2)cc1 ZINC000736506207 599313902 /nfs/dbraw/zinc/31/39/02/599313902.db2.gz YBJQQGMXITXPNV-UHFFFAOYSA-N -1 3 360.421 3.334 20 0 FGADHM CCN(C(=O)CCc1c[nH]c2ccccc12)c1ccc(-c2nn[n-]n2)cc1 ZINC000736506207 599313903 /nfs/dbraw/zinc/31/39/03/599313903.db2.gz YBJQQGMXITXPNV-UHFFFAOYSA-N -1 3 360.421 3.334 20 0 FGADHM C[C@H](c1ccc(-c2nnn[n-]2)cc1)N1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000736197616 599314294 /nfs/dbraw/zinc/31/42/94/599314294.db2.gz BCMUYQXGVCNEKZ-XIKOKIGWSA-N -1 3 371.391 3.279 20 0 FGADHM C[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000736197616 599314297 /nfs/dbraw/zinc/31/42/97/599314297.db2.gz BCMUYQXGVCNEKZ-XIKOKIGWSA-N -1 3 371.391 3.279 20 0 FGADHM Cc1cc(C)c(-c2nnn[n-]2)c(NCCCO[C@H](C)c2ccccc2)n1 ZINC000822193099 599327906 /nfs/dbraw/zinc/32/79/06/599327906.db2.gz LFASSLDZQBSPIZ-OAHLLOKOSA-N -1 3 352.442 3.458 20 0 FGADHM Cc1cc(C)c(-c2nn[n-]n2)c(NCCCO[C@H](C)c2ccccc2)n1 ZINC000822193099 599327909 /nfs/dbraw/zinc/32/79/09/599327909.db2.gz LFASSLDZQBSPIZ-OAHLLOKOSA-N -1 3 352.442 3.458 20 0 FGADHM Cc1c(Br)cccc1NCCOc1cccc(-c2nnn[n-]2)c1 ZINC000737201682 599328639 /nfs/dbraw/zinc/32/86/39/599328639.db2.gz GXNRPZVLXPPXIW-UHFFFAOYSA-N -1 3 374.242 3.429 20 0 FGADHM Cc1c(Br)cccc1NCCOc1cccc(-c2nn[n-]n2)c1 ZINC000737201682 599328641 /nfs/dbraw/zinc/32/86/41/599328641.db2.gz GXNRPZVLXPPXIW-UHFFFAOYSA-N -1 3 374.242 3.429 20 0 FGADHM Cc1ccc(NC(=O)[C@@H](C)Sc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000822242650 599342896 /nfs/dbraw/zinc/34/28/96/599342896.db2.gz SJCXNVJLIQUCOJ-LLVKDONJSA-N -1 3 357.414 3.434 20 0 FGADHM Cc1ccc(NC(=O)[C@@H](C)Sc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000822242650 599342899 /nfs/dbraw/zinc/34/28/99/599342899.db2.gz SJCXNVJLIQUCOJ-LLVKDONJSA-N -1 3 357.414 3.434 20 0 FGADHM C[C@H]1CCC[C@H](C)C1NC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736246151 599348305 /nfs/dbraw/zinc/34/83/05/599348305.db2.gz ZYDOUOMHPPGRAL-RYUDHWBXSA-N -1 3 359.478 3.369 20 0 FGADHM C[C@H]1CCC[C@H](C)C1NC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736246151 599348308 /nfs/dbraw/zinc/34/83/08/599348308.db2.gz ZYDOUOMHPPGRAL-RYUDHWBXSA-N -1 3 359.478 3.369 20 0 FGADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1CCC(OCC2CC2)CC1 ZINC000822333106 599358228 /nfs/dbraw/zinc/35/82/28/599358228.db2.gz WPNZNDWSRJHPQB-UHFFFAOYSA-N -1 3 364.453 3.119 20 0 FGADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N1CCC(OCC2CC2)CC1 ZINC000822333106 599358229 /nfs/dbraw/zinc/35/82/29/599358229.db2.gz WPNZNDWSRJHPQB-UHFFFAOYSA-N -1 3 364.453 3.119 20 0 FGADHM CN(C)c1cc(CNc2cccc(F)c2-c2nnn[n-]2)c2ccccc2n1 ZINC000821588384 599360534 /nfs/dbraw/zinc/36/05/34/599360534.db2.gz PNLNVHWVFKBBSW-UHFFFAOYSA-N -1 3 363.400 3.232 20 0 FGADHM CN(C)c1cc(CNc2cccc(F)c2-c2nn[n-]n2)c2ccccc2n1 ZINC000821588384 599360535 /nfs/dbraw/zinc/36/05/35/599360535.db2.gz PNLNVHWVFKBBSW-UHFFFAOYSA-N -1 3 363.400 3.232 20 0 FGADHM Cc1cc(C)c(-c2nnn[n-]2)c(N(C)CCOc2ccccc2Cl)n1 ZINC000822191585 599375059 /nfs/dbraw/zinc/37/50/59/599375059.db2.gz KRNQACIEAOOROM-UHFFFAOYSA-N -1 3 358.833 3.047 20 0 FGADHM Cc1cc(C)c(-c2nn[n-]n2)c(N(C)CCOc2ccccc2Cl)n1 ZINC000822191585 599375062 /nfs/dbraw/zinc/37/50/62/599375062.db2.gz KRNQACIEAOOROM-UHFFFAOYSA-N -1 3 358.833 3.047 20 0 FGADHM Cc1cccc([C@H](C)OC(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)c1 ZINC000737387437 599376808 /nfs/dbraw/zinc/37/68/08/599376808.db2.gz ILYCATBWJVJEPA-UONOGXRCSA-N -1 3 352.394 3.247 20 0 FGADHM Cc1cccc([C@H](C)OC(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)c1 ZINC000737387437 599376811 /nfs/dbraw/zinc/37/68/11/599376811.db2.gz ILYCATBWJVJEPA-UONOGXRCSA-N -1 3 352.394 3.247 20 0 FGADHM Cc1cccc([C@H](C)OC(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737391188 599376964 /nfs/dbraw/zinc/37/69/64/599376964.db2.gz XJUWIUXSTVNYLW-KBPBESRZSA-N -1 3 352.394 3.247 20 0 FGADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)Nc1cc(C2CCCCCC2)[nH]n1 ZINC000737961976 599390059 /nfs/dbraw/zinc/39/00/59/599390059.db2.gz MJDNLQBDILJSEE-UHFFFAOYSA-N -1 3 365.441 3.209 20 0 FGADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)Nc1cc(C2CCCCCC2)[nH]n1 ZINC000737961976 599390065 /nfs/dbraw/zinc/39/00/65/599390065.db2.gz MJDNLQBDILJSEE-UHFFFAOYSA-N -1 3 365.441 3.209 20 0 FGADHM CC[C@@H](CC1CCCC1)C(=O)OCC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825115430 607373353 /nfs/dbraw/zinc/37/33/53/607373353.db2.gz YIVGNCIZUZVQTH-AWEZNQCLSA-N -1 3 356.426 3.199 20 0 FGADHM CC[C@@H](CC1CCCC1)C(=O)OCC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825115430 607373355 /nfs/dbraw/zinc/37/33/55/607373355.db2.gz YIVGNCIZUZVQTH-AWEZNQCLSA-N -1 3 356.426 3.199 20 0 FGADHM CCc1ccc([C@@H](C)NC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000821480940 599401747 /nfs/dbraw/zinc/40/17/47/599401747.db2.gz GKGOLRQKXMRGSX-GFCCVEGCSA-N -1 3 368.416 3.129 20 0 FGADHM CCc1ccc([C@@H](C)NC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000821480940 599401750 /nfs/dbraw/zinc/40/17/50/599401750.db2.gz GKGOLRQKXMRGSX-GFCCVEGCSA-N -1 3 368.416 3.129 20 0 FGADHM O[C@H](CNc1cc(Cl)ccc1-c1nnn[n-]1)c1cccc(Cl)c1 ZINC000738383094 599407960 /nfs/dbraw/zinc/40/79/60/599407960.db2.gz OEXISMQTABUXCM-CQSZACIVSA-N -1 3 350.209 3.319 20 0 FGADHM O[C@H](CNc1cc(Cl)ccc1-c1nn[n-]n1)c1cccc(Cl)c1 ZINC000738383094 599407961 /nfs/dbraw/zinc/40/79/61/599407961.db2.gz OEXISMQTABUXCM-CQSZACIVSA-N -1 3 350.209 3.319 20 0 FGADHM c1cc(-c2nnn[n-]2)oc1CNCc1cccc(OCc2ccccc2)c1 ZINC000823787758 599408659 /nfs/dbraw/zinc/40/86/59/599408659.db2.gz QCXABJIBJXSXAD-UHFFFAOYSA-N -1 3 361.405 3.329 20 0 FGADHM COCCOc1cccc(CNc2cc(Cl)ccc2-c2nnn[n-]2)c1 ZINC000737015001 599411332 /nfs/dbraw/zinc/41/13/32/599411332.db2.gz LUKWAVSIKFEMBQ-UHFFFAOYSA-N -1 3 359.817 3.157 20 0 FGADHM COCCOc1cccc(CNc2cc(Cl)ccc2-c2nn[n-]n2)c1 ZINC000737015001 599411336 /nfs/dbraw/zinc/41/13/36/599411336.db2.gz LUKWAVSIKFEMBQ-UHFFFAOYSA-N -1 3 359.817 3.157 20 0 FGADHM C[C@H](NC(=O)N[C@@H](C)c1c(F)cccc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000820353080 599416112 /nfs/dbraw/zinc/41/61/12/599416112.db2.gz XXMWGSRCPAVXHT-QWRGUYRKSA-N -1 3 372.379 3.266 20 0 FGADHM C[C@H](NC(=O)N[C@@H](C)c1c(F)cccc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000820353080 599416113 /nfs/dbraw/zinc/41/61/13/599416113.db2.gz XXMWGSRCPAVXHT-QWRGUYRKSA-N -1 3 372.379 3.266 20 0 FGADHM Fc1ccc(OCCCNc2cc(-c3nnn[n-]3)c3ccccc3n2)cc1 ZINC000737655675 599420575 /nfs/dbraw/zinc/42/05/75/599420575.db2.gz BTYPFQLRASGCSE-UHFFFAOYSA-N -1 3 364.384 3.435 20 0 FGADHM Fc1ccc(OCCCNc2cc(-c3nn[n-]n3)c3ccccc3n2)cc1 ZINC000737655675 599420576 /nfs/dbraw/zinc/42/05/76/599420576.db2.gz BTYPFQLRASGCSE-UHFFFAOYSA-N -1 3 364.384 3.435 20 0 FGADHM Fc1ccc(OCCNc2cc(-c3nnn[n-]3)c3ccccc3n2)cc1F ZINC000737657743 599432644 /nfs/dbraw/zinc/43/26/44/599432644.db2.gz ZNESIBYVMIBICI-UHFFFAOYSA-N -1 3 368.347 3.184 20 0 FGADHM Fc1ccc(OCCNc2cc(-c3nn[n-]n3)c3ccccc3n2)cc1F ZINC000737657743 599432645 /nfs/dbraw/zinc/43/26/45/599432645.db2.gz ZNESIBYVMIBICI-UHFFFAOYSA-N -1 3 368.347 3.184 20 0 FGADHM c1ccc2c(c1)nc(NC[C@@H]1CCOc3ccccc31)cc2-c1nnn[n-]1 ZINC000738443535 599435921 /nfs/dbraw/zinc/43/59/21/599435921.db2.gz XKUAENHGTAQHTR-ZDUSSCGKSA-N -1 3 358.405 3.393 20 0 FGADHM c1ccc2c(c1)nc(NC[C@@H]1CCOc3ccccc31)cc2-c1nn[n-]n1 ZINC000738443535 599435923 /nfs/dbraw/zinc/43/59/23/599435923.db2.gz XKUAENHGTAQHTR-ZDUSSCGKSA-N -1 3 358.405 3.393 20 0 FGADHM Cc1ccc2c(c1)[C@@H](NC(=O)N[C@@H](C)c1cccc(-c3nnn[n-]3)c1)CC2 ZINC000822275406 599437484 /nfs/dbraw/zinc/43/74/84/599437484.db2.gz UENKFEMDHLKZOJ-UGSOOPFHSA-N -1 3 362.437 3.223 20 0 FGADHM Cc1ccc2c(c1)[C@@H](NC(=O)N[C@@H](C)c1cccc(-c3nn[n-]n3)c1)CC2 ZINC000822275406 599437487 /nfs/dbraw/zinc/43/74/87/599437487.db2.gz UENKFEMDHLKZOJ-UGSOOPFHSA-N -1 3 362.437 3.223 20 0 FGADHM C[C@H]1CCC[C@@H](CCNC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC000820697571 599442339 /nfs/dbraw/zinc/44/23/39/599442339.db2.gz JBBVYSYQTZJZSR-STQMWFEESA-N -1 3 360.437 3.021 20 0 FGADHM C[C@H]1CCC[C@@H](CCNC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC000820697571 599442342 /nfs/dbraw/zinc/44/23/42/599442342.db2.gz JBBVYSYQTZJZSR-STQMWFEESA-N -1 3 360.437 3.021 20 0 FGADHM CCOc1cc(CCCNc2ccc(-c3nn[n-]n3)cc2)ccc1OC ZINC000736626977 599442390 /nfs/dbraw/zinc/44/23/90/599442390.db2.gz VJFISSURXSHQDG-UHFFFAOYSA-N -1 3 353.426 3.319 20 0 FGADHM CCc1ccc(CCNC(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736681516 599453900 /nfs/dbraw/zinc/45/39/00/599453900.db2.gz ABNZDHWXNQXCCC-CQSZACIVSA-N -1 3 364.453 3.032 20 0 FGADHM CCc1ccc(CCNC(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736681516 599453902 /nfs/dbraw/zinc/45/39/02/599453902.db2.gz ABNZDHWXNQXCCC-CQSZACIVSA-N -1 3 364.453 3.032 20 0 FGADHM COc1cccc(CNCc2cc(-c3nn[n-]n3)ccc2F)c1OC(C)C ZINC000821868817 599456872 /nfs/dbraw/zinc/45/68/72/599456872.db2.gz VUGTXYTVCVAKQU-UHFFFAOYSA-N -1 3 371.416 3.091 20 0 FGADHM Fc1ccc(-c2nnn[n-]2)cc1CNCc1csc(-c2cccs2)n1 ZINC000822761879 599457457 /nfs/dbraw/zinc/45/74/57/599457457.db2.gz VASVHYYOQRASIF-UHFFFAOYSA-N -1 3 372.454 3.481 20 0 FGADHM Fc1ccc(-c2nn[n-]n2)cc1CNCc1csc(-c2cccs2)n1 ZINC000822761879 599457459 /nfs/dbraw/zinc/45/74/59/599457459.db2.gz VASVHYYOQRASIF-UHFFFAOYSA-N -1 3 372.454 3.481 20 0 FGADHM Fc1ccc(-c2nn[n-]n2)cc1CNCc1cc(C(F)(F)F)ccc1F ZINC000822761850 599457834 /nfs/dbraw/zinc/45/78/34/599457834.db2.gz UHSOTGSNEKPFCJ-UHFFFAOYSA-N -1 3 369.297 3.454 20 0 FGADHM CC(C)(NC(=S)Nc1ccccc1-c1nnn[n-]1)c1cccc(F)c1 ZINC000735678402 599461666 /nfs/dbraw/zinc/46/16/66/599461666.db2.gz PNTSXBXGMNMLEY-UHFFFAOYSA-N -1 3 356.430 3.228 20 0 FGADHM CC(C)(NC(=S)Nc1ccccc1-c1nn[n-]n1)c1cccc(F)c1 ZINC000735678402 599461670 /nfs/dbraw/zinc/46/16/70/599461670.db2.gz PNTSXBXGMNMLEY-UHFFFAOYSA-N -1 3 356.430 3.228 20 0 FGADHM CN(Cc1cccc(Cl)c1)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000821613191 599463462 /nfs/dbraw/zinc/46/34/62/599463462.db2.gz BAUCCRAVHSHUPO-UHFFFAOYSA-N -1 3 374.807 3.001 20 0 FGADHM CN(Cc1cccc(Cl)c1)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000821613191 599463463 /nfs/dbraw/zinc/46/34/63/599463463.db2.gz BAUCCRAVHSHUPO-UHFFFAOYSA-N -1 3 374.807 3.001 20 0 FGADHM Fc1ccc(C[C@@H]2CCN(c3c(F)cc(-c4nnn[n-]4)cc3F)C2)cc1 ZINC000737650335 599473450 /nfs/dbraw/zinc/47/34/50/599473450.db2.gz NVVJUCCUUXPTCT-LBPRGKRZSA-N -1 3 359.355 3.353 20 0 FGADHM Fc1ccc(C[C@@H]2CCN(c3c(F)cc(-c4nn[n-]n4)cc3F)C2)cc1 ZINC000737650335 599473452 /nfs/dbraw/zinc/47/34/52/599473452.db2.gz NVVJUCCUUXPTCT-LBPRGKRZSA-N -1 3 359.355 3.353 20 0 FGADHM C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1c1ncc(-c2nnn[n-]2)cc1Cl ZINC000736234842 599474104 /nfs/dbraw/zinc/47/41/04/599474104.db2.gz KXTRFQQBAMZIKM-ZWNOBZJWSA-N -1 3 358.808 3.437 20 0 FGADHM C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1c1ncc(-c2nn[n-]n2)cc1Cl ZINC000736234842 599474107 /nfs/dbraw/zinc/47/41/07/599474107.db2.gz KXTRFQQBAMZIKM-ZWNOBZJWSA-N -1 3 358.808 3.437 20 0 FGADHM CCCNC(=O)c1cccc(CNc2c(Cl)cccc2-c2nnn[n-]2)c1 ZINC000821118733 599479741 /nfs/dbraw/zinc/47/97/41/599479741.db2.gz QDQXGCUYDXNBRW-UHFFFAOYSA-N -1 3 370.844 3.272 20 0 FGADHM CCCNC(=O)c1cccc(CNc2c(Cl)cccc2-c2nn[n-]n2)c1 ZINC000821118733 599479743 /nfs/dbraw/zinc/47/97/43/599479743.db2.gz QDQXGCUYDXNBRW-UHFFFAOYSA-N -1 3 370.844 3.272 20 0 FGADHM C[C@@H](NC(=O)N1CCCc2sccc2C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820348621 599480392 /nfs/dbraw/zinc/48/03/92/599480392.db2.gz DYQLVEJJUIBMMO-GFCCVEGCSA-N -1 3 368.466 3.147 20 0 FGADHM C[C@@H](NC(=O)N1CCCc2sccc2C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820348621 599480394 /nfs/dbraw/zinc/48/03/94/599480394.db2.gz DYQLVEJJUIBMMO-GFCCVEGCSA-N -1 3 368.466 3.147 20 0 FGADHM C[C@@H](Cc1cccc(F)c1)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820299816 599501194 /nfs/dbraw/zinc/50/11/94/599501194.db2.gz KVKPPEZPBJSRHY-STQMWFEESA-N -1 3 353.401 3.062 20 0 FGADHM C[C@@H](Cc1cccc(F)c1)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820299816 599501193 /nfs/dbraw/zinc/50/11/93/599501193.db2.gz KVKPPEZPBJSRHY-STQMWFEESA-N -1 3 353.401 3.062 20 0 FGADHM Cc1nc([C@@H]2CCCN(c3nc(C)cc(C)c3-c3nnn[n-]3)C2)sc1C ZINC000822191154 599508600 /nfs/dbraw/zinc/50/86/00/599508600.db2.gz GNEWFFWHNGFXRF-CQSZACIVSA-N -1 3 369.498 3.336 20 0 FGADHM Cc1nc([C@@H]2CCCN(c3nc(C)cc(C)c3-c3nn[n-]n3)C2)sc1C ZINC000822191154 599508601 /nfs/dbraw/zinc/50/86/01/599508601.db2.gz GNEWFFWHNGFXRF-CQSZACIVSA-N -1 3 369.498 3.336 20 0 FGADHM C[C@H](NC(=O)C(C)(C)c1ccc(F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820316078 599511621 /nfs/dbraw/zinc/51/16/21/599511621.db2.gz SENZDOBKBWMCKZ-LBPRGKRZSA-N -1 3 353.401 3.161 20 0 FGADHM C[C@H](NC(=O)C(C)(C)c1ccc(F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820316078 599511622 /nfs/dbraw/zinc/51/16/22/599511622.db2.gz SENZDOBKBWMCKZ-LBPRGKRZSA-N -1 3 353.401 3.161 20 0 FGADHM C[C@@H](NC(=O)C(C)(C)c1ccc(F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820316077 599511636 /nfs/dbraw/zinc/51/16/36/599511636.db2.gz SENZDOBKBWMCKZ-GFCCVEGCSA-N -1 3 353.401 3.161 20 0 FGADHM C[C@@H](NC(=O)C(C)(C)c1ccc(F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820316077 599511637 /nfs/dbraw/zinc/51/16/37/599511637.db2.gz SENZDOBKBWMCKZ-GFCCVEGCSA-N -1 3 353.401 3.161 20 0 FGADHM Cc1ccccc1[C@H](O)CNc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000737423356 599526874 /nfs/dbraw/zinc/52/68/74/599526874.db2.gz ULAPCEJCSBNVKC-OAHLLOKOSA-N -1 3 363.343 3.339 20 0 FGADHM Cc1ccccc1OCCCC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822366277 599527868 /nfs/dbraw/zinc/52/78/68/599527868.db2.gz FZVBPGMIIYRPHH-OAHLLOKOSA-N -1 3 365.437 3.212 20 0 FGADHM Cc1ccccc1OCCCC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822366277 599527871 /nfs/dbraw/zinc/52/78/71/599527871.db2.gz FZVBPGMIIYRPHH-OAHLLOKOSA-N -1 3 365.437 3.212 20 0 FGADHM C[C@H](NC(=O)CCc1cc(Cl)cs1)c1cccc(-c2nnn[n-]2)c1 ZINC000820328319 599536595 /nfs/dbraw/zinc/53/65/95/599536595.db2.gz PCSJWYFYTBGJDX-JTQLQIEISA-N -1 3 361.858 3.392 20 0 FGADHM C[C@H](NC(=O)CCc1cc(Cl)cs1)c1cccc(-c2nn[n-]n2)c1 ZINC000820328319 599536599 /nfs/dbraw/zinc/53/65/99/599536599.db2.gz PCSJWYFYTBGJDX-JTQLQIEISA-N -1 3 361.858 3.392 20 0 FGADHM Cc1ncsc1CN(C)c1c(-c2nnn[n-]2)cnc2c(F)ccc(F)c21 ZINC000822482382 599547722 /nfs/dbraw/zinc/54/77/22/599547722.db2.gz SBGNAKXPFDEXMD-UHFFFAOYSA-N -1 3 373.392 3.094 20 0 FGADHM Cc1ncsc1CN(C)c1c(-c2nn[n-]n2)cnc2c(F)ccc(F)c21 ZINC000822482382 599547724 /nfs/dbraw/zinc/54/77/24/599547724.db2.gz SBGNAKXPFDEXMD-UHFFFAOYSA-N -1 3 373.392 3.094 20 0 FGADHM C[C@H]1c2ccc(F)cc2CCN1C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000736300378 599554525 /nfs/dbraw/zinc/55/45/25/599554525.db2.gz BJVBTPOFLFXQBB-PPGNKHEKSA-N -1 3 363.396 3.165 20 0 FGADHM C[C@H]1c2ccc(F)cc2CCN1C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000736300378 599554528 /nfs/dbraw/zinc/55/45/28/599554528.db2.gz BJVBTPOFLFXQBB-PPGNKHEKSA-N -1 3 363.396 3.165 20 0 FGADHM C[C@@H]1c2ccc(F)cc2CCN1C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000736300383 599555067 /nfs/dbraw/zinc/55/50/67/599555067.db2.gz BJVBTPOFLFXQBB-YSKGHYERSA-N -1 3 363.396 3.165 20 0 FGADHM C[C@@H]1c2ccc(F)cc2CCN1C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000736300383 599555069 /nfs/dbraw/zinc/55/50/69/599555069.db2.gz BJVBTPOFLFXQBB-YSKGHYERSA-N -1 3 363.396 3.165 20 0 FGADHM C[C@@H]1c2c(F)cccc2CCN1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000736303108 599599144 /nfs/dbraw/zinc/59/91/44/599599144.db2.gz RWXPHSFNMGOREL-LLVKDONJSA-N -1 3 352.373 3.157 20 0 FGADHM C[C@@H]1c2c(F)cccc2CCN1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000736303108 599599147 /nfs/dbraw/zinc/59/91/47/599599147.db2.gz RWXPHSFNMGOREL-LLVKDONJSA-N -1 3 352.373 3.157 20 0 FGADHM Cc1ccc(C[C@@H](C)NC(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000737336151 599603310 /nfs/dbraw/zinc/60/33/10/599603310.db2.gz YBIKKCOQSULNPB-GFCCVEGCSA-N -1 3 370.482 3.009 20 0 FGADHM Cc1ccc(C[C@@H](C)NC(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000737336151 599603311 /nfs/dbraw/zinc/60/33/11/599603311.db2.gz YBIKKCOQSULNPB-GFCCVEGCSA-N -1 3 370.482 3.009 20 0 FGADHM C[C@@H](C(=O)O[C@@H](C)COc1cccc(-c2nnn[n-]2)c1)c1cccc(F)c1 ZINC000820287537 599624579 /nfs/dbraw/zinc/62/45/79/599624579.db2.gz NGWLOZRFKXIKLU-QWHCGFSZSA-N -1 3 370.384 3.120 20 0 FGADHM C[C@@H](C(=O)O[C@@H](C)COc1cccc(-c2nn[n-]n2)c1)c1cccc(F)c1 ZINC000820287537 599624580 /nfs/dbraw/zinc/62/45/80/599624580.db2.gz NGWLOZRFKXIKLU-QWHCGFSZSA-N -1 3 370.384 3.120 20 0 FGADHM O=C(OCCc1ccc(C(F)(F)F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823409986 599625874 /nfs/dbraw/zinc/62/58/74/599625874.db2.gz PDAQYZQRKFPWQE-UHFFFAOYSA-N -1 3 362.311 3.285 20 0 FGADHM O=C(OCCc1ccc(C(F)(F)F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823409986 599625875 /nfs/dbraw/zinc/62/58/75/599625875.db2.gz PDAQYZQRKFPWQE-UHFFFAOYSA-N -1 3 362.311 3.285 20 0 FGADHM CSCCOC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821971221 599628195 /nfs/dbraw/zinc/62/81/95/599628195.db2.gz YXXYTBVJWGNMCN-UHFFFAOYSA-N -1 3 355.423 3.130 20 0 FGADHM Cc1cc2c(cc1C)O[C@@H](C(=O)Nc1ccc(-c3nnn[n-]3)c(Cl)c1)C2 ZINC000822212818 599629683 /nfs/dbraw/zinc/62/96/83/599629683.db2.gz IHKRBSGGMNAHKK-MRXNPFEDSA-N -1 3 369.812 3.079 20 0 FGADHM Cc1cc2c(cc1C)O[C@@H](C(=O)Nc1ccc(-c3nn[n-]n3)c(Cl)c1)C2 ZINC000822212818 599629684 /nfs/dbraw/zinc/62/96/84/599629684.db2.gz IHKRBSGGMNAHKK-MRXNPFEDSA-N -1 3 369.812 3.079 20 0 FGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)c1cccc(F)c1Cl ZINC000819976522 599630286 /nfs/dbraw/zinc/63/02/86/599630286.db2.gz WAVUCDIXGMSYRA-UHFFFAOYSA-N -1 3 362.796 3.468 20 0 FGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)c1cccc(F)c1Cl ZINC000819976522 599630287 /nfs/dbraw/zinc/63/02/87/599630287.db2.gz WAVUCDIXGMSYRA-UHFFFAOYSA-N -1 3 362.796 3.468 20 0 FGADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000820092440 599640033 /nfs/dbraw/zinc/64/00/33/599640033.db2.gz LWIKJRUHYWGREW-UHFFFAOYSA-N -1 3 363.425 3.111 20 0 FGADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000820092440 599640034 /nfs/dbraw/zinc/64/00/34/599640034.db2.gz LWIKJRUHYWGREW-UHFFFAOYSA-N -1 3 363.425 3.111 20 0 FGADHM CSc1ccc(F)cc1CNC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000821982761 599647483 /nfs/dbraw/zinc/64/74/83/599647483.db2.gz AQUQRGJXMJRNHJ-UHFFFAOYSA-N -1 3 358.402 3.049 20 0 FGADHM CSc1ccc(F)cc1CNC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000821982761 599647484 /nfs/dbraw/zinc/64/74/84/599647484.db2.gz AQUQRGJXMJRNHJ-UHFFFAOYSA-N -1 3 358.402 3.049 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H](C)CCOc1ccccc1 ZINC000822216107 599649433 /nfs/dbraw/zinc/64/94/33/599649433.db2.gz FKDSPAYGZWIJJT-AWEZNQCLSA-N -1 3 351.410 3.219 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H](C)CCOc1ccccc1 ZINC000822216107 599649434 /nfs/dbraw/zinc/64/94/34/599649434.db2.gz FKDSPAYGZWIJJT-AWEZNQCLSA-N -1 3 351.410 3.219 20 0 FGADHM Cc1cccc(NC(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)c1Cl ZINC000822323311 599656210 /nfs/dbraw/zinc/65/62/10/599656210.db2.gz FBDLZOYYUQMACR-NSHDSACASA-N -1 3 357.801 3.235 20 0 FGADHM Cc1ccc(-c2cnc(COC(=O)c3sccc3-c3nnn[n-]3)o2)cc1 ZINC000822213800 599659008 /nfs/dbraw/zinc/65/90/08/599659008.db2.gz AYXPCBQCFUFZPM-UHFFFAOYSA-N -1 3 367.390 3.249 20 0 FGADHM CCCCCC[C@H](C)C(=O)O[C@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000821048672 599665048 /nfs/dbraw/zinc/66/50/48/599665048.db2.gz FNOZNXQDKBCHQC-UONOGXRCSA-N -1 3 373.457 3.343 20 0 FGADHM CCCCCC[C@H](C)C(=O)O[C@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000821048672 599665049 /nfs/dbraw/zinc/66/50/49/599665049.db2.gz FNOZNXQDKBCHQC-UONOGXRCSA-N -1 3 373.457 3.343 20 0 FGADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)N[C@@H](c1cccs1)C1CC1 ZINC000823235154 599667764 /nfs/dbraw/zinc/66/77/64/599667764.db2.gz SBGAFJCVOKWANN-OAHLLOKOSA-N -1 3 372.429 3.018 20 0 FGADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)N[C@@H](c1cccs1)C1CC1 ZINC000823235154 599667765 /nfs/dbraw/zinc/66/77/65/599667765.db2.gz SBGAFJCVOKWANN-OAHLLOKOSA-N -1 3 372.429 3.018 20 0 FGADHM CCC[C@H]1[C@@H](C)CCCN1C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000821033616 599673946 /nfs/dbraw/zinc/67/39/46/599673946.db2.gz CNQBZIBJCWYMDG-LRDDRELGSA-N -1 3 360.437 3.116 20 0 FGADHM CCC[C@H]1[C@@H](C)CCCN1C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000821033616 599673947 /nfs/dbraw/zinc/67/39/47/599673947.db2.gz CNQBZIBJCWYMDG-LRDDRELGSA-N -1 3 360.437 3.116 20 0 FGADHM CCS[C@H]1CCCCN(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000821456866 599681766 /nfs/dbraw/zinc/68/17/66/599681766.db2.gz SIUKXIIEGOTLRN-BBRMVZONSA-N -1 3 374.514 3.245 20 0 FGADHM CCS[C@H]1CCCCN(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000821456866 599681767 /nfs/dbraw/zinc/68/17/67/599681767.db2.gz SIUKXIIEGOTLRN-BBRMVZONSA-N -1 3 374.514 3.245 20 0 FGADHM COc1ccc(C2CCN(c3nc(C)cc(C)c3-c3nnn[n-]3)CC2)cc1 ZINC000821787353 599685654 /nfs/dbraw/zinc/68/56/54/599685654.db2.gz RRLHPJNORNBZFV-UHFFFAOYSA-N -1 3 364.453 3.271 20 0 FGADHM COc1ccc(C2CCN(c3nc(C)cc(C)c3-c3nn[n-]n3)CC2)cc1 ZINC000821787353 599685655 /nfs/dbraw/zinc/68/56/55/599685655.db2.gz RRLHPJNORNBZFV-UHFFFAOYSA-N -1 3 364.453 3.271 20 0 FGADHM Cc1nc(-c2ccccc2)oc1C(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000822220120 599699172 /nfs/dbraw/zinc/69/91/72/599699172.db2.gz DTEYTUZPFSVHJH-UHFFFAOYSA-N -1 3 360.377 3.391 20 0 FGADHM Cc1nc(-c2ccccc2)oc1C(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000822220120 599699173 /nfs/dbraw/zinc/69/91/73/599699173.db2.gz DTEYTUZPFSVHJH-UHFFFAOYSA-N -1 3 360.377 3.391 20 0 FGADHM CCCCCC(=O)NC1CCN([C@H](C(=O)[O-])c2ccc(F)cc2)CC1 ZINC000736984200 599714591 /nfs/dbraw/zinc/71/45/91/599714591.db2.gz JWEKNXUUDRUPMU-SFHVURJKSA-N -1 3 350.434 3.112 20 0 FGADHM CN(C(=O)OC(C)(C)C)[C@@H]1CCCN([C@H](C(=O)[O-])c2ccc(F)cc2)C1 ZINC000737336236 599720454 /nfs/dbraw/zinc/72/04/54/599720454.db2.gz NVKYCDDJNQTEIT-CVEARBPZSA-N -1 3 366.433 3.283 20 0 FGADHM CSc1ccc(NC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC000826231103 607391037 /nfs/dbraw/zinc/39/10/37/607391037.db2.gz XHOUOGXJEIOORO-UHFFFAOYSA-N -1 3 366.450 3.399 20 0 FGADHM CSc1ccc(NC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000826231103 607391039 /nfs/dbraw/zinc/39/10/39/607391039.db2.gz XHOUOGXJEIOORO-UHFFFAOYSA-N -1 3 366.450 3.399 20 0 FGADHM Cc1cc(NC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)cnc1Cl ZINC000826270309 607394918 /nfs/dbraw/zinc/39/49/18/607394918.db2.gz UOORHXCZZPKBRL-UHFFFAOYSA-N -1 3 369.816 3.034 20 0 FGADHM Cc1cc(NC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)cnc1Cl ZINC000826270309 607394919 /nfs/dbraw/zinc/39/49/19/607394919.db2.gz UOORHXCZZPKBRL-UHFFFAOYSA-N -1 3 369.816 3.034 20 0 FGADHM COCc1ccccc1C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000821696060 607397426 /nfs/dbraw/zinc/39/74/26/607397426.db2.gz UTRDWBVPSMLKTH-UHFFFAOYSA-N -1 3 367.409 3.053 20 0 FGADHM COCc1ccccc1C(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000821696060 607397428 /nfs/dbraw/zinc/39/74/28/607397428.db2.gz UTRDWBVPSMLKTH-UHFFFAOYSA-N -1 3 367.409 3.053 20 0 FGADHM Cc1cc(C(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)c(F)cc1F ZINC000822176276 607398007 /nfs/dbraw/zinc/39/80/07/607398007.db2.gz HTNRBXYROYFDQQ-UHFFFAOYSA-N -1 3 373.363 3.493 20 0 FGADHM Cc1cc(C(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)c(F)cc1F ZINC000822176276 607398008 /nfs/dbraw/zinc/39/80/08/607398008.db2.gz HTNRBXYROYFDQQ-UHFFFAOYSA-N -1 3 373.363 3.493 20 0 FGADHM CN(C)C[C@@H](NC(=O)Nc1ccc(CCC(=O)[O-])cc1)c1ccccc1 ZINC000737359758 599828633 /nfs/dbraw/zinc/82/86/33/599828633.db2.gz GZPNFLXWVMPTKZ-GOSISDBHSA-N -1 3 355.438 3.128 20 0 FGADHM COc1ccc(F)cc1C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000821828274 607400831 /nfs/dbraw/zinc/40/08/31/607400831.db2.gz RNSAWZUBJLQWPU-UHFFFAOYSA-N -1 3 371.372 3.054 20 0 FGADHM COc1ccc(F)cc1C(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000821828274 607400833 /nfs/dbraw/zinc/40/08/33/607400833.db2.gz RNSAWZUBJLQWPU-UHFFFAOYSA-N -1 3 371.372 3.054 20 0 FGADHM CC(C)Oc1ccc(NC(=O)CO[C@H]2CCC[C@H](C)C2)cc1-c1nnn[n-]1 ZINC000820698271 607402388 /nfs/dbraw/zinc/40/23/88/607402388.db2.gz SCPPZLVWKIDDLH-ZFWWWQNUSA-N -1 3 373.457 3.188 20 0 FGADHM CC(C)Oc1ccc(NC(=O)CO[C@H]2CCC[C@H](C)C2)cc1-c1nn[n-]n1 ZINC000820698271 607402390 /nfs/dbraw/zinc/40/23/90/607402390.db2.gz SCPPZLVWKIDDLH-ZFWWWQNUSA-N -1 3 373.457 3.188 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)c1cnc(C(C)(C)C)s1 ZINC000826254460 607405924 /nfs/dbraw/zinc/40/59/24/607405924.db2.gz MLWNMLKAWXGSAG-UHFFFAOYSA-N -1 3 357.439 3.286 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)c1cnc(C(C)(C)C)s1 ZINC000826254460 607405925 /nfs/dbraw/zinc/40/59/25/607405925.db2.gz MLWNMLKAWXGSAG-UHFFFAOYSA-N -1 3 357.439 3.286 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000826253659 607409544 /nfs/dbraw/zinc/40/95/44/607409544.db2.gz YBFADKWBJFXUQA-ZBFHGGJFSA-N -1 3 370.359 3.300 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000826253659 607409546 /nfs/dbraw/zinc/40/95/46/607409546.db2.gz YBFADKWBJFXUQA-ZBFHGGJFSA-N -1 3 370.359 3.300 20 0 FGADHM CS[C@@H](C(=O)OCc1ccc(-c2nnn[n-]2)cc1C)c1ccccc1 ZINC000826224713 607410544 /nfs/dbraw/zinc/41/05/44/607410544.db2.gz KMTKQUWHKPJFRB-MRXNPFEDSA-N -1 3 354.435 3.323 20 0 FGADHM CS[C@@H](C(=O)OCc1ccc(-c2nn[n-]n2)cc1C)c1ccccc1 ZINC000826224713 607410546 /nfs/dbraw/zinc/41/05/46/607410546.db2.gz KMTKQUWHKPJFRB-MRXNPFEDSA-N -1 3 354.435 3.323 20 0 FGADHM O=C(NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1cc(F)cc(Cl)c1 ZINC000826428351 607417167 /nfs/dbraw/zinc/41/71/67/607417167.db2.gz ZHRULOBPJOLLLI-UHFFFAOYSA-N -1 3 357.776 3.078 20 0 FGADHM O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1cc(F)cc(Cl)c1 ZINC000826428351 607417169 /nfs/dbraw/zinc/41/71/69/607417169.db2.gz ZHRULOBPJOLLLI-UHFFFAOYSA-N -1 3 357.776 3.078 20 0 FGADHM O=C([O-])c1cc(F)ccc1CN1CCC(CC(=O)NC2CCCC2)CC1 ZINC000739221644 600089870 /nfs/dbraw/zinc/08/98/70/600089870.db2.gz GJAJMUSRETZWCG-UHFFFAOYSA-N -1 3 362.445 3.185 20 0 FGADHM O=C(NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1cc2c(s1)CCCC2 ZINC000826427927 607420182 /nfs/dbraw/zinc/42/01/82/607420182.db2.gz HQGPXPDVLHDUIU-UHFFFAOYSA-N -1 3 365.462 3.226 20 0 FGADHM O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1cc2c(s1)CCCC2 ZINC000826427927 607420184 /nfs/dbraw/zinc/42/01/84/607420184.db2.gz HQGPXPDVLHDUIU-UHFFFAOYSA-N -1 3 365.462 3.226 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NCC1(Cc2ccccc2)CC1 ZINC000822220131 607422789 /nfs/dbraw/zinc/42/27/89/607422789.db2.gz FEMIAXQXRFGJOW-UHFFFAOYSA-N -1 3 362.437 3.320 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NCC1(Cc2ccccc2)CC1 ZINC000822220131 607422792 /nfs/dbraw/zinc/42/27/92/607422792.db2.gz FEMIAXQXRFGJOW-UHFFFAOYSA-N -1 3 362.437 3.320 20 0 FGADHM Cc1c(NC(=O)N[C@@H]2[C@H]3CCc4ccccc4[C@@H]23)cccc1-c1nnn[n-]1 ZINC000822090519 607424574 /nfs/dbraw/zinc/42/45/74/607424574.db2.gz KKHHPHVZNCNJEU-CGTJXYLNSA-N -1 3 360.421 3.025 20 0 FGADHM Cc1c(NC(=O)N[C@@H]2[C@H]3CCc4ccccc4[C@@H]23)cccc1-c1nn[n-]n1 ZINC000822090519 607424576 /nfs/dbraw/zinc/42/45/76/607424576.db2.gz KKHHPHVZNCNJEU-CGTJXYLNSA-N -1 3 360.421 3.025 20 0 FGADHM CCCCCCN(C)CC(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC000736983515 600165951 /nfs/dbraw/zinc/16/59/51/600165951.db2.gz NKVILTCPKSOVGA-UHFFFAOYSA-N -1 3 371.481 3.263 20 0 FGADHM Cc1ccc(C(=O)[O-])cc1NC(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000390519604 600354413 /nfs/dbraw/zinc/35/44/13/600354413.db2.gz FMYHGRLIMYYCKH-OAHLLOKOSA-N -1 3 355.438 3.335 20 0 FGADHM Cc1cc(C)c2cc(C(=O)N(C)c3ccc(-c4nnn[n-]4)cc3)sc2n1 ZINC000826263527 607439124 /nfs/dbraw/zinc/43/91/24/607439124.db2.gz FYGHMUOFVJICRS-UHFFFAOYSA-N -1 3 364.434 3.370 20 0 FGADHM Cc1cc(C)c2cc(C(=O)N(C)c3ccc(-c4nn[n-]n4)cc3)sc2n1 ZINC000826263527 607439125 /nfs/dbraw/zinc/43/91/25/607439125.db2.gz FYGHMUOFVJICRS-UHFFFAOYSA-N -1 3 364.434 3.370 20 0 FGADHM Cc1ccc(SCCC(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826292932 607439441 /nfs/dbraw/zinc/43/94/41/607439441.db2.gz STQPOHDEIAKGBI-UHFFFAOYSA-N -1 3 353.451 3.320 20 0 FGADHM Cc1ccc(SCCC(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826292932 607439443 /nfs/dbraw/zinc/43/94/43/607439443.db2.gz STQPOHDEIAKGBI-UHFFFAOYSA-N -1 3 353.451 3.320 20 0 FGADHM CC(C)N(C)C(=O)C1CCN([C@@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC000736455550 600399094 /nfs/dbraw/zinc/39/90/94/600399094.db2.gz UQLGSIVKXBDMFI-MRXNPFEDSA-N -1 3 352.862 3.045 20 0 FGADHM CN(C)Cc1c2ccccc2oc1C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000737367667 600405241 /nfs/dbraw/zinc/40/52/41/600405241.db2.gz BLJWCWYQEOYUMD-UHFFFAOYSA-N -1 3 352.390 3.374 20 0 FGADHM COC(=O)c1cc(CN[C@@H](C(=O)[O-])c2cccc(Cl)c2)ccc1OC ZINC000737653905 600420423 /nfs/dbraw/zinc/42/04/23/600420423.db2.gz MKJMUMKNVVTSML-MRXNPFEDSA-N -1 3 363.797 3.051 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)C=Cc1cncc(C)c1 ZINC000821118549 607445602 /nfs/dbraw/zinc/44/56/02/607445602.db2.gz OVSWVEWCCBHTQD-QPJJXVBHSA-N -1 3 363.425 3.044 20 0 FGADHM CSc1ccccc1C(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826230645 607446776 /nfs/dbraw/zinc/44/67/76/607446776.db2.gz CQRNZSTYVIQWEY-UHFFFAOYSA-N -1 3 351.435 3.008 20 0 FGADHM CSc1ccccc1C(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826230645 607446777 /nfs/dbraw/zinc/44/67/77/607446777.db2.gz CQRNZSTYVIQWEY-UHFFFAOYSA-N -1 3 351.435 3.008 20 0 FGADHM O=C(NC1(c2cccc(-c3nnn[n-]3)c2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000826427295 607447436 /nfs/dbraw/zinc/44/74/36/607447436.db2.gz LNVSPJQLYAAPTH-UHFFFAOYSA-N -1 3 363.465 3.188 20 0 FGADHM O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000826427295 607447438 /nfs/dbraw/zinc/44/74/38/607447438.db2.gz LNVSPJQLYAAPTH-UHFFFAOYSA-N -1 3 363.465 3.188 20 0 FGADHM Cc1cc(C)cc([C@@H](C)N[C@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)c1 ZINC000738364111 600524140 /nfs/dbraw/zinc/52/41/40/600524140.db2.gz SIAXYUJNZBJPEN-HZPDHXFCSA-N -1 3 354.450 3.357 20 0 FGADHM CCc1[nH]c(C(=O)N(CCN2CCCC2)c2ccccc2)c(C)c1C(=O)[O-] ZINC000737241698 600530723 /nfs/dbraw/zinc/53/07/23/600530723.db2.gz MQNOADCXPAUWJM-UHFFFAOYSA-N -1 3 369.465 3.326 20 0 FGADHM Cc1ccc2c(c1)[C@H](NC(=O)NC1(c3cccc(-c4nnn[n-]4)c3)CC1)CC2 ZINC000826294373 607455856 /nfs/dbraw/zinc/45/58/56/607455856.db2.gz POUIBJDWQQVOCC-GOSISDBHSA-N -1 3 374.448 3.151 20 0 FGADHM Cc1ccc2c(c1)[C@H](NC(=O)NC1(c3cccc(-c4nn[n-]n4)c3)CC1)CC2 ZINC000826294373 607455857 /nfs/dbraw/zinc/45/58/57/607455857.db2.gz POUIBJDWQQVOCC-GOSISDBHSA-N -1 3 374.448 3.151 20 0 FGADHM O=C1OC(c2cccc(Cl)c2)=NC1=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000823548293 607456097 /nfs/dbraw/zinc/45/60/97/607456097.db2.gz VWFUNFPKHWKMMH-RIYZIHGNSA-N -1 3 369.743 3.004 20 0 FGADHM O=C1OC(c2cccc(Cl)c2)=NC1=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000823548293 607456098 /nfs/dbraw/zinc/45/60/98/607456098.db2.gz VWFUNFPKHWKMMH-RIYZIHGNSA-N -1 3 369.743 3.004 20 0 FGADHM CCN1CCCC[C@H]1C(=O)NC[C@@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC000737117219 600600778 /nfs/dbraw/zinc/60/07/78/600600778.db2.gz YYFDSTSYROJLTR-QUCCMNQESA-N -1 3 368.477 3.074 20 0 FGADHM C[C@@H]1C[C@H](c2ccccc2)CN1CC(=O)NCc1ccc(NC(=O)[O-])cc1 ZINC000736761660 600629965 /nfs/dbraw/zinc/62/99/65/600629965.db2.gz OYUUGUFVCKESGY-QAPCUYQASA-N -1 3 367.449 3.271 20 0 FGADHM Cc1cc(C)cc([C@@H](O)CN2CCN(c3ccc(C(=O)[O-])cc3)C[C@H]2C)c1 ZINC000832875990 600689819 /nfs/dbraw/zinc/68/98/19/600689819.db2.gz ZQFKWZYBNYUDBK-UTKZUKDTSA-N -1 3 368.477 3.246 20 0 FGADHM CSc1ccc([C@H](CC(=O)[O-])NC(=O)c2cccc(CN(C)C)c2)cc1 ZINC000738202360 600802493 /nfs/dbraw/zinc/80/24/93/600802493.db2.gz FROCNCMPMOZDJN-SFHVURJKSA-N -1 3 372.490 3.416 20 0 FGADHM CC[C@H](C)[C@H](NC(=O)CN(C)[C@@H]1CCC[C@H]1c1ccc(C)cc1)C(=O)[O-] ZINC000828707250 600839477 /nfs/dbraw/zinc/83/94/77/600839477.db2.gz FBTKMXHUAYWJDC-BOLBYERCSA-N -1 3 360.498 3.178 20 0 FGADHM CCn1ncc2c1CCC[C@@H]2NCc1cc(C)c(OCC(=O)[O-])c(C)c1 ZINC000737312996 601099871 /nfs/dbraw/zinc/09/98/71/601099871.db2.gz ZWXNRTBMWRFSHB-KRWDZBQOSA-N -1 3 357.454 3.150 20 0 FGADHM COc1ccc(NCc2ccc(-c3nnn[n-]3)cc2F)c2cccnc12 ZINC000821834994 607488460 /nfs/dbraw/zinc/48/84/60/607488460.db2.gz AGKPDNZIJIVQJQ-UHFFFAOYSA-N -1 3 350.357 3.175 20 0 FGADHM COc1ccc(NCc2ccc(-c3nn[n-]n3)cc2F)c2cccnc12 ZINC000821834994 607488461 /nfs/dbraw/zinc/48/84/61/607488461.db2.gz AGKPDNZIJIVQJQ-UHFFFAOYSA-N -1 3 350.357 3.175 20 0 FGADHM C/C=C\c1ccc(OCc2cc(-c3nnn[n-]3)ccc2OC)c(OC)c1 ZINC000820832217 607490337 /nfs/dbraw/zinc/49/03/37/607490337.db2.gz IFOJCVNRQQTMSC-PLNGDYQASA-N -1 3 352.394 3.496 20 0 FGADHM C/C=C\c1ccc(OCc2cc(-c3nn[n-]n3)ccc2OC)c(OC)c1 ZINC000820832217 607490339 /nfs/dbraw/zinc/49/03/39/607490339.db2.gz IFOJCVNRQQTMSC-PLNGDYQASA-N -1 3 352.394 3.496 20 0 FGADHM C/C(=C/CN1CCC(N(CC2CC2)C(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC000825736465 601156165 /nfs/dbraw/zinc/15/61/65/601156165.db2.gz ZSZLXCDHRFCCLN-AUWJEWJLSA-N -1 3 352.475 3.129 20 0 FGADHM COc1ccc(CN2CCCC[C@H]2c2nc(C)cs2)cc1-c1nnn[n-]1 ZINC000826194708 607493528 /nfs/dbraw/zinc/49/35/28/607493528.db2.gz TZFRXWYFISNEPS-HNNXBMFYSA-N -1 3 370.482 3.367 20 0 FGADHM COc1ccc(CN2CCCC[C@H]2c2nc(C)cs2)cc1-c1nn[n-]n1 ZINC000826194708 607493530 /nfs/dbraw/zinc/49/35/30/607493530.db2.gz TZFRXWYFISNEPS-HNNXBMFYSA-N -1 3 370.482 3.367 20 0 FGADHM CC(C)N(Cc1ccccc1)C(=O)CN[C@@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000826044273 601202250 /nfs/dbraw/zinc/20/22/50/601202250.db2.gz CZXMWWJBIIYVPY-LAUBAEHRSA-N -1 3 368.477 3.475 20 0 FGADHM CC1CCN([C@@H](CNC(=O)c2ccnc(C(=O)[O-])c2)c2cccs2)CC1 ZINC000828286509 601242233 /nfs/dbraw/zinc/24/22/33/601242233.db2.gz VOKWUXZNOFKPFT-INIZCTEOSA-N -1 3 373.478 3.044 20 0 FGADHM C[C@@H]1CN(Cc2ncc(-c3cccc(Br)c3)o2)C[C@@H]1C(=O)[O-] ZINC000828461944 601521906 /nfs/dbraw/zinc/52/19/06/601521906.db2.gz FOTFDBOMBZABTC-MFKMUULPSA-N -1 3 365.227 3.257 20 0 FGADHM C[C@H](C(=O)Nc1ccccc1Cc1ccccc1)N1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000828424899 601529990 /nfs/dbraw/zinc/52/99/90/601529990.db2.gz URINSKWOWMZRRY-MDZRGWNJSA-N -1 3 366.461 3.257 20 0 FGADHM CCCCCCNC(=O)[C@@H]1CCCN(Cc2ccc(C(=O)[O-])c(F)c2)C1 ZINC000829357693 601625517 /nfs/dbraw/zinc/62/55/17/601625517.db2.gz UJGCMYSCZVNYLT-MRXNPFEDSA-N -1 3 364.461 3.432 20 0 FGADHM Fc1ccc(CN(Cc2ccnc(-c3nnn[n-]3)c2)C2CCCC2)c(F)c1 ZINC000826374378 607520265 /nfs/dbraw/zinc/52/02/65/607520265.db2.gz WYHBNMCOMWOQPX-UHFFFAOYSA-N -1 3 370.407 3.485 20 0 FGADHM CCN(CC)C(=O)C1(NCc2ccc(C(=O)[O-])c(F)c2)CCCCC1 ZINC000829643186 601640569 /nfs/dbraw/zinc/64/05/69/601640569.db2.gz WASCUBIQWMVEMH-UHFFFAOYSA-N -1 3 350.434 3.185 20 0 FGADHM O=C([O-])[C@]1(NC(=O)c2ccccc2Cl)CCCN(Cc2ccccc2)C1 ZINC000833128964 601733417 /nfs/dbraw/zinc/73/34/17/601733417.db2.gz PWYKXPDVVYPTIP-FQEVSTJZSA-N -1 3 372.852 3.189 20 0 FGADHM CC(C)[C@H]([NH2+]Cc1nc(=O)c2c(-c3ccccc3)csc2[n-]1)C(=O)[O-] ZINC000827097595 601823576 /nfs/dbraw/zinc/82/35/76/601823576.db2.gz RSVJMOLNAWYCNT-HNNXBMFYSA-N -1 3 357.435 3.263 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)CC[C@H](C)c1ccccc1 ZINC000826174310 607530643 /nfs/dbraw/zinc/53/06/43/607530643.db2.gz RKPRVXIIBAEBEW-ZDUSSCGKSA-N -1 3 352.394 3.365 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)CC[C@H](C)c1ccccc1 ZINC000826174310 607530644 /nfs/dbraw/zinc/53/06/44/607530644.db2.gz RKPRVXIIBAEBEW-ZDUSSCGKSA-N -1 3 352.394 3.365 20 0 FGADHM C[C@@H]1C[C@@H](NC(=O)Nc2cccc(C(=O)[O-])c2)CN1Cc1ccccc1 ZINC000398231269 601882112 /nfs/dbraw/zinc/88/21/12/601882112.db2.gz ZUQSTAQBNCAPOG-RDTXWAMCSA-N -1 3 353.422 3.169 20 0 FGADHM CN(C[C@@H](O)c1ccc(F)cc1)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830714377 601900647 /nfs/dbraw/zinc/90/06/47/601900647.db2.gz QHMSNODFVHWATI-ZBFHGGJFSA-N -1 3 357.303 3.034 20 0 FGADHM COCc1cccc(CSCc2ccc(OC)c(-c3nnn[n-]3)c2)c1 ZINC000826164795 607535699 /nfs/dbraw/zinc/53/56/99/607535699.db2.gz QNBBNRBMAIQLPT-UHFFFAOYSA-N -1 3 356.451 3.455 20 0 FGADHM COCc1cccc(CSCc2ccc(OC)c(-c3nn[n-]n3)c2)c1 ZINC000826164795 607535701 /nfs/dbraw/zinc/53/57/01/607535701.db2.gz QNBBNRBMAIQLPT-UHFFFAOYSA-N -1 3 356.451 3.455 20 0 FGADHM COc1ccc(CSCc2cn3cccc(C)c3n2)cc1-c1nnn[n-]1 ZINC000826207791 607535812 /nfs/dbraw/zinc/53/58/12/607535812.db2.gz DJLTWEUJTLEGHI-UHFFFAOYSA-N -1 3 366.450 3.265 20 0 FGADHM COc1ccc(CSCc2cn3cccc(C)c3n2)cc1-c1nn[n-]n1 ZINC000826207791 607535813 /nfs/dbraw/zinc/53/58/13/607535813.db2.gz DJLTWEUJTLEGHI-UHFFFAOYSA-N -1 3 366.450 3.265 20 0 FGADHM O=C([O-])[C@@H](NCCNC(=O)c1ccccc1)c1cc(Cl)cc(Cl)c1 ZINC000833139532 601971798 /nfs/dbraw/zinc/97/17/98/601971798.db2.gz CEFCMLPDMXAMJY-HNNXBMFYSA-N -1 3 367.232 3.139 20 0 FGADHM C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000828431313 602043786 /nfs/dbraw/zinc/04/37/86/602043786.db2.gz HRWBUGSSRYLJKZ-LKFCYVNXSA-N -1 3 371.359 3.008 20 0 FGADHM C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(Cc2ccc(C(=O)[O-])o2)C1 ZINC000827688001 602244969 /nfs/dbraw/zinc/24/49/69/602244969.db2.gz PXNWWIUSQWQWSF-CHWSQXEVSA-N -1 3 352.431 3.103 20 0 FGADHM O=C([O-])N1CCC(CN2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)CC1 ZINC000740501407 602259149 /nfs/dbraw/zinc/25/91/49/602259149.db2.gz UOZRNMXOYREWGB-PHIMTYICSA-N -1 3 362.314 3.439 20 0 FGADHM O=C([O-])NC1CCN(CCC(=O)Nc2c(Cl)cccc2Cl)CC1 ZINC000740592956 602375444 /nfs/dbraw/zinc/37/54/44/602375444.db2.gz DOEJDYULFOHXME-UHFFFAOYSA-N -1 3 360.241 3.054 20 0 FGADHM CC[C@H](CC(=O)NCc1ccc(OC)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000825082104 607585527 /nfs/dbraw/zinc/58/55/27/607585527.db2.gz QGWBQNXJGAVVKY-OAHLLOKOSA-N -1 3 365.437 3.075 20 0 FGADHM CC[C@H](CC(=O)NCc1ccc(OC)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000825082104 607585528 /nfs/dbraw/zinc/58/55/28/607585528.db2.gz QGWBQNXJGAVVKY-OAHLLOKOSA-N -1 3 365.437 3.075 20 0 FGADHM O=C([O-])Nc1ccc(CC(=O)N(CCN2CCCC2)c2ccccc2)cc1 ZINC000740702047 603009675 /nfs/dbraw/zinc/00/96/75/603009675.db2.gz SAVNXAPYZKMYOH-UHFFFAOYSA-N -1 3 367.449 3.448 20 0 FGADHM COc1ccc(COC(=O)C[C@@H](C)c2ccc(F)cc2)cc1-c1nnn[n-]1 ZINC000826205303 607607415 /nfs/dbraw/zinc/60/74/15/607607415.db2.gz RHPDLUMLFMIOEI-GFCCVEGCSA-N -1 3 370.384 3.251 20 0 FGADHM COc1ccc(COC(=O)C[C@@H](C)c2ccc(F)cc2)cc1-c1nn[n-]n1 ZINC000826205303 607607418 /nfs/dbraw/zinc/60/74/18/607607418.db2.gz RHPDLUMLFMIOEI-GFCCVEGCSA-N -1 3 370.384 3.251 20 0 FGADHM Cc1nc2ccccc2nc1CN1CCCC[C@@H]1[C@@H]1CCCN1C(=O)[O-] ZINC000740231596 603236402 /nfs/dbraw/zinc/23/64/02/603236402.db2.gz MPXXDWHOQUIXKA-MOPGFXCFSA-N -1 3 354.454 3.435 20 0 FGADHM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)NCCN1CCCC[C@@H]1C ZINC000829182750 603333794 /nfs/dbraw/zinc/33/37/94/603333794.db2.gz QZMMCNYBHNTYQF-NSHDSACASA-N -1 3 369.849 3.043 20 0 FGADHM CN(C(=O)[O-])[C@H]1CCCN(CCc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000739582075 603410568 /nfs/dbraw/zinc/41/05/68/603410568.db2.gz ASINKOKHHPUFRK-AWEZNQCLSA-N -1 3 364.833 3.007 20 0 FGADHM CC[C@@H](NCc1ccc(NC(=O)[O-])nc1)[C@@H](O)c1c(F)cccc1F ZINC000826620317 603560724 /nfs/dbraw/zinc/56/07/24/603560724.db2.gz QSHCTOSFLCOGFW-CZUORRHYSA-N -1 3 351.353 3.052 20 0 FGADHM CC[C@H](NCc1ccc(NC(=O)[O-])nc1)[C@H](O)c1c(F)cccc1F ZINC000826620311 603560928 /nfs/dbraw/zinc/56/09/28/603560928.db2.gz QSHCTOSFLCOGFW-BBRMVZONSA-N -1 3 351.353 3.052 20 0 FGADHM CC(C)CNC(=S)N(Cc1ccccc1-c1nnn[n-]1)C1CCCC1 ZINC000824266971 607647102 /nfs/dbraw/zinc/64/71/02/607647102.db2.gz VGQVHKAFRWRQOV-UHFFFAOYSA-N -1 3 358.515 3.142 20 0 FGADHM CC(C)CNC(=S)N(Cc1ccccc1-c1nn[n-]n1)C1CCCC1 ZINC000824266971 607647104 /nfs/dbraw/zinc/64/71/04/607647104.db2.gz VGQVHKAFRWRQOV-UHFFFAOYSA-N -1 3 358.515 3.142 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccc(Cc2ccncc2)cc1 ZINC000826249998 607648565 /nfs/dbraw/zinc/64/85/65/607648565.db2.gz FFVXKMLXJUAOEK-UHFFFAOYSA-N -1 3 370.416 3.413 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccc(Cc2ccncc2)cc1 ZINC000826249998 607648567 /nfs/dbraw/zinc/64/85/67/607648567.db2.gz FFVXKMLXJUAOEK-UHFFFAOYSA-N -1 3 370.416 3.413 20 0 FGADHM CCN(CC1CCN(C(=O)c2cccc(CN3CCCC3)c2)CC1)C(=O)[O-] ZINC000827083579 603750121 /nfs/dbraw/zinc/75/01/21/603750121.db2.gz DBUUNFFGIDGYLG-UHFFFAOYSA-N -1 3 373.497 3.135 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@H]1CCSc2ccc(F)cc21 ZINC000826247718 607653355 /nfs/dbraw/zinc/65/33/55/607653355.db2.gz LTQSSPAZPFCAOJ-HNNXBMFYSA-N -1 3 369.425 3.281 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@H]1CCSc2ccc(F)cc21 ZINC000826247718 607653356 /nfs/dbraw/zinc/65/33/56/607653356.db2.gz LTQSSPAZPFCAOJ-HNNXBMFYSA-N -1 3 369.425 3.281 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(C)Cc1ccc(OC(F)F)cc1 ZINC000826243832 607649601 /nfs/dbraw/zinc/64/96/01/607649601.db2.gz XDUMUYSUVPECCS-UHFFFAOYSA-N -1 3 373.363 3.049 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(C)Cc1ccc(OC(F)F)cc1 ZINC000826243832 607649603 /nfs/dbraw/zinc/64/96/03/607649603.db2.gz XDUMUYSUVPECCS-UHFFFAOYSA-N -1 3 373.363 3.049 20 0 FGADHM CN(C(=O)[O-])[C@@H]1CCN(Cc2ccc(C(=O)Nc3ccccc3)cc2)C1 ZINC000827890843 603801631 /nfs/dbraw/zinc/80/16/31/603801631.db2.gz VIXXNERNMDFYTD-GOSISDBHSA-N -1 3 353.422 3.123 20 0 FGADHM COc1ccc2nc(NC(=O)c3ccc(-c4nnn[n-]4)cc3C)sc2c1 ZINC000826214088 607651606 /nfs/dbraw/zinc/65/16/06/607651606.db2.gz ZWSAJUZCHYSMIR-UHFFFAOYSA-N -1 3 366.406 3.046 20 0 FGADHM COc1ccc2nc(NC(=O)c3ccc(-c4nn[n-]n4)cc3C)sc2c1 ZINC000826214088 607651607 /nfs/dbraw/zinc/65/16/07/607651607.db2.gz ZWSAJUZCHYSMIR-UHFFFAOYSA-N -1 3 366.406 3.046 20 0 FGADHM Cc1ccc(NC(=O)CC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])c(CN(C)C)c1 ZINC000830364242 603894783 /nfs/dbraw/zinc/89/47/83/603894783.db2.gz OQZCDUJCOWCGML-ZXFUBFMLSA-N -1 3 359.470 3.306 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@@H](c1ccccc1)C(F)(F)F ZINC000826246585 607669033 /nfs/dbraw/zinc/66/90/33/607669033.db2.gz HHAXMPPNCZTBAG-AWEZNQCLSA-N -1 3 361.327 3.209 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@@H](c1ccccc1)C(F)(F)F ZINC000826246585 607669035 /nfs/dbraw/zinc/66/90/35/607669035.db2.gz HHAXMPPNCZTBAG-AWEZNQCLSA-N -1 3 361.327 3.209 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(C1CC1)[C@@H]1CCc2ccccc21 ZINC000826243851 607673675 /nfs/dbraw/zinc/67/36/75/607673675.db2.gz XOAICGGJJZPYEU-LJQANCHMSA-N -1 3 359.433 3.467 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(C1CC1)[C@@H]1CCc2ccccc21 ZINC000826243851 607673678 /nfs/dbraw/zinc/67/36/78/607673678.db2.gz XOAICGGJJZPYEU-LJQANCHMSA-N -1 3 359.433 3.467 20 0 FGADHM O=C(Nc1cccc(Cl)c1)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826456593 607674358 /nfs/dbraw/zinc/67/43/58/607674358.db2.gz NJAOQRYSLBARKI-UHFFFAOYSA-N -1 3 354.801 3.331 20 0 FGADHM O=C(Nc1cccc(Cl)c1)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826456593 607674360 /nfs/dbraw/zinc/67/43/60/607674360.db2.gz NJAOQRYSLBARKI-UHFFFAOYSA-N -1 3 354.801 3.331 20 0 FGADHM CCc1ccc(NCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)cc1F ZINC000825717159 607687125 /nfs/dbraw/zinc/68/71/25/607687125.db2.gz HYWBMHJITRVGFT-UHFFFAOYSA-N -1 3 365.372 3.230 20 0 FGADHM CCc1ccc(NCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)cc1F ZINC000825717159 607687127 /nfs/dbraw/zinc/68/71/27/607687127.db2.gz HYWBMHJITRVGFT-UHFFFAOYSA-N -1 3 365.372 3.230 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@H](c1ccccc1)c1ccncc1 ZINC000826247009 607683697 /nfs/dbraw/zinc/68/36/97/607683697.db2.gz RHMUKCSMKSZNDQ-LJQANCHMSA-N -1 3 370.416 3.090 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@H](c1ccccc1)c1ccncc1 ZINC000826247009 607683699 /nfs/dbraw/zinc/68/36/99/607683699.db2.gz RHMUKCSMKSZNDQ-LJQANCHMSA-N -1 3 370.416 3.090 20 0 FGADHM Cc1ccc(NC(=O)C[C@H](C)NCc2ccc(C(=O)[O-])o2)c(Cl)c1 ZINC000832943130 604330738 /nfs/dbraw/zinc/33/07/38/604330738.db2.gz ZHIJSYPNKHEZTH-NSHDSACASA-N -1 3 350.802 3.447 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000826244924 607689738 /nfs/dbraw/zinc/68/97/38/607689738.db2.gz HVQLRTAHBSWWOG-KRWDZBQOSA-N -1 3 369.375 3.431 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000826244924 607689740 /nfs/dbraw/zinc/68/97/40/607689740.db2.gz HVQLRTAHBSWWOG-KRWDZBQOSA-N -1 3 369.375 3.431 20 0 FGADHM CC[C@@H](CC(=O)NCc1cccc(-c2nnn[n-]2)c1)c1ccc(OC)cc1 ZINC000825080688 607693299 /nfs/dbraw/zinc/69/32/99/607693299.db2.gz BLLGKGMEVMAWQF-HNNXBMFYSA-N -1 3 365.437 3.075 20 0 FGADHM CC[C@@H](CC(=O)NCc1cccc(-c2nn[n-]n2)c1)c1ccc(OC)cc1 ZINC000825080688 607693300 /nfs/dbraw/zinc/69/33/00/607693300.db2.gz BLLGKGMEVMAWQF-HNNXBMFYSA-N -1 3 365.437 3.075 20 0 FGADHM CC1(C)C[C@H]1C(=O)Nc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000824795626 607697460 /nfs/dbraw/zinc/69/74/60/607697460.db2.gz BCTYGKHPTYPBHK-KRWDZBQOSA-N -1 3 363.421 3.430 20 0 FGADHM CC1(C)C[C@H]1C(=O)Nc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000824795626 607697461 /nfs/dbraw/zinc/69/74/61/607697461.db2.gz BCTYGKHPTYPBHK-KRWDZBQOSA-N -1 3 363.421 3.430 20 0 FGADHM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1c(Cl)ccc(F)c1Cl ZINC000824516460 607702588 /nfs/dbraw/zinc/70/25/88/607702588.db2.gz XELOKSVLZBCGIL-LURJTMIESA-N -1 3 369.187 3.132 20 0 FGADHM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1c(Cl)ccc(F)c1Cl ZINC000824516460 607702590 /nfs/dbraw/zinc/70/25/90/607702590.db2.gz XELOKSVLZBCGIL-LURJTMIESA-N -1 3 369.187 3.132 20 0 FGADHM Brc1ccccc1CNC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000823832283 607705737 /nfs/dbraw/zinc/70/57/37/607705737.db2.gz KPHQNPUNROPZJA-UHFFFAOYSA-N -1 3 370.254 3.408 20 0 FGADHM O=C(c1ccc(-c2nnn[n-]2)[nH]1)N1CCC[C@H]1c1cccc2ccccc21 ZINC000826471264 607706430 /nfs/dbraw/zinc/70/64/30/607706430.db2.gz SZZJYOVPAGYOFD-SFHVURJKSA-N -1 3 358.405 3.325 20 0 FGADHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1CCC[C@H]1c1cccc2ccccc21 ZINC000826471264 607706431 /nfs/dbraw/zinc/70/64/31/607706431.db2.gz SZZJYOVPAGYOFD-SFHVURJKSA-N -1 3 358.405 3.325 20 0 FGADHM CC(C)c1ccc([C@@H]2CCCN2CC(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC000833509975 604781321 /nfs/dbraw/zinc/78/13/21/604781321.db2.gz HEPKUGOZAROSLA-IBGZPJMESA-N -1 3 358.482 3.270 20 0 FGADHM CC(C)[C@H](N[C@@H](C)C(=O)N1CCC(C(=O)[O-])CC1)c1ccc(Cl)cc1 ZINC000827717329 604834123 /nfs/dbraw/zinc/83/41/23/604834123.db2.gz GMVFVKQMVHCLQP-GUYCJALGSA-N -1 3 366.889 3.338 20 0 FGADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1c(Cl)cccc1Cl ZINC000824420648 607720038 /nfs/dbraw/zinc/72/00/38/607720038.db2.gz NCLUMHQHTPWPPE-MRVPVSSYSA-N -1 3 365.224 3.035 20 0 FGADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1c(Cl)cccc1Cl ZINC000824420648 607720040 /nfs/dbraw/zinc/72/00/40/607720040.db2.gz NCLUMHQHTPWPPE-MRVPVSSYSA-N -1 3 365.224 3.035 20 0 FGADHM CN(C(=O)Cc1ccc(NC(=O)[O-])cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000827782463 604899600 /nfs/dbraw/zinc/89/96/00/604899600.db2.gz VXPBKFBEEOJTBF-IBGZPJMESA-N -1 3 367.449 3.052 20 0 FGADHM CC(C)(C(=O)[O-])[C@@H]1CCCN([C@H]2CCN(c3ccc(Cl)cc3)C2=O)C1 ZINC000833417280 604937402 /nfs/dbraw/zinc/93/74/02/604937402.db2.gz OKGVLWDXQRUSKT-CJNGLKHVSA-N -1 3 364.873 3.268 20 0 FGADHM CC(C)(C)OC(=O)N1CC[C@@H](N(Cc2ccc(C(=O)[O-])s2)C2CC2)C1 ZINC000833436777 604971981 /nfs/dbraw/zinc/97/19/81/604971981.db2.gz MTOHJCMUCWJNDH-CYBMUJFWSA-N -1 3 366.483 3.420 20 0 FGADHM Clc1cc(-c2nnn[n-]2)cnc1N1CCS[C@H](c2ccccc2)C1 ZINC000826350663 607728309 /nfs/dbraw/zinc/72/83/09/607728309.db2.gz GKTHFMCRRFZTSI-AWEZNQCLSA-N -1 3 358.858 3.210 20 0 FGADHM Clc1cc(-c2nn[n-]n2)cnc1N1CCS[C@H](c2ccccc2)C1 ZINC000826350663 607728311 /nfs/dbraw/zinc/72/83/11/607728311.db2.gz GKTHFMCRRFZTSI-AWEZNQCLSA-N -1 3 358.858 3.210 20 0 FGADHM COCCCOc1cccc(CNc2cccc(F)c2-c2nnn[n-]2)c1 ZINC000826157146 607729830 /nfs/dbraw/zinc/72/98/30/607729830.db2.gz JTRGDIGNLRSEHL-UHFFFAOYSA-N -1 3 357.389 3.033 20 0 FGADHM COCCCOc1cccc(CNc2cccc(F)c2-c2nn[n-]n2)c1 ZINC000826157146 607729832 /nfs/dbraw/zinc/72/98/32/607729832.db2.gz JTRGDIGNLRSEHL-UHFFFAOYSA-N -1 3 357.389 3.033 20 0 FGADHM CCOc1ccc([C@@H](C)NCc2cc(C(=O)[O-])cc(C(=O)OC)c2)cc1 ZINC000833664607 605068547 /nfs/dbraw/zinc/06/85/47/605068547.db2.gz ZDBVBVBELMZEQC-CYBMUJFWSA-N -1 3 357.406 3.421 20 0 FGADHM C[C@@]1(NCc2nc(-c3ccc(F)c(F)c3)no2)CCCC[C@H]1C(=O)[O-] ZINC000833569203 605068750 /nfs/dbraw/zinc/06/87/50/605068750.db2.gz KFAIYRBUYGUXNP-APPDUMDISA-N -1 3 351.353 3.138 20 0 FGADHM C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1Cc1ccc(C(=O)[O-])c(F)c1 ZINC000833594685 605086407 /nfs/dbraw/zinc/08/64/07/605086407.db2.gz FVOKTMHHSNCKPB-OCCSQVGLSA-N -1 3 366.433 3.259 20 0 FGADHM CS[C@@H](C)CNc1cc(C)c(-c2nnn[n-]2)c2nc3ccccc3n21 ZINC000826225556 607733494 /nfs/dbraw/zinc/73/34/94/607733494.db2.gz FBQRQNMCQUGFTM-NSHDSACASA-N -1 3 353.455 3.139 20 0 FGADHM CS[C@@H](C)CNc1cc(C)c(-c2nn[n-]n2)c2nc3ccccc3n21 ZINC000826225556 607733495 /nfs/dbraw/zinc/73/34/95/607733495.db2.gz FBQRQNMCQUGFTM-NSHDSACASA-N -1 3 353.455 3.139 20 0 FGADHM O[C@@H](c1ccccc1)C1(CNc2cc(-c3nnn[n-]3)c3ccccc3n2)CC1 ZINC000826505154 607735466 /nfs/dbraw/zinc/73/54/66/607735466.db2.gz NYGBDSAWOJQBNY-IBGZPJMESA-N -1 3 372.432 3.341 20 0 FGADHM O[C@@H](c1ccccc1)C1(CNc2cc(-c3nn[n-]n3)c3ccccc3n2)CC1 ZINC000826505154 607735467 /nfs/dbraw/zinc/73/54/67/607735467.db2.gz NYGBDSAWOJQBNY-IBGZPJMESA-N -1 3 372.432 3.341 20 0 FGADHM C[C@@H](NCc1ccc(O[C@@H](C)C(=O)[O-])cc1)c1ccc([S@@](C)=O)cc1 ZINC000833543445 605123080 /nfs/dbraw/zinc/12/30/80/605123080.db2.gz YLCDHNGIAROJJW-PJGQNWHFSA-N -1 3 361.463 3.127 20 0 FGADHM CCN1C[C@@H](C)N(Cc2csc(-c3cccc(C(=O)[O-])c3)n2)C[C@@H]1C ZINC000833656192 605145088 /nfs/dbraw/zinc/14/50/88/605145088.db2.gz IPVWYTHEFAIPTO-UONOGXRCSA-N -1 3 359.495 3.423 20 0 FGADHM COC(=O)c1cc(CN2CCCO[C@H](c3ccccc3)C2)cc(C(=O)[O-])c1 ZINC000833712347 605204118 /nfs/dbraw/zinc/20/41/18/605204118.db2.gz FPZJHEJTGDNZAZ-IBGZPJMESA-N -1 3 369.417 3.135 20 0 FGADHM C[C@H]1CN(Cc2ccc(OC(F)F)c(Br)c2)C[C@@H]1C(=O)[O-] ZINC000833630886 605247585 /nfs/dbraw/zinc/24/75/85/605247585.db2.gz YIOBFCLRGGTTHE-WPRPVWTQSA-N -1 3 364.186 3.203 20 0 FGADHM CC1=C(C(=O)[O-])C[C@H](CN2CCC(c3nc(-c4ccccc4)no3)CC2)O1 ZINC000833582806 605334018 /nfs/dbraw/zinc/33/40/18/605334018.db2.gz FLFZFMKEHBNOMS-MRXNPFEDSA-N -1 3 369.421 3.064 20 0 FGADHM C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NCC2(C(=O)[O-])CCCCC2)C1 ZINC000833547557 605384890 /nfs/dbraw/zinc/38/48/90/605384890.db2.gz BUWHRCJPKMCLMN-AEFFLSMTSA-N -1 3 373.497 3.156 20 0 FGADHM C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@H](CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000833605060 605411838 /nfs/dbraw/zinc/41/18/38/605411838.db2.gz WOZLAFPBDJWUFJ-LALPHHSUSA-N -1 3 372.387 3.210 20 0 FGADHM CCCN(CC(=O)Nc1ccccc1Cl)C1CCN(C(=O)[O-])CC1 ZINC000826904653 605480510 /nfs/dbraw/zinc/48/05/10/605480510.db2.gz YYPRKCXUDRQULW-UHFFFAOYSA-N -1 3 353.850 3.133 20 0 FGADHM Cn1cc(CN2CCC[C@H](CNC(=O)[O-])C2)c(-c2cc3ccccc3o2)n1 ZINC000833949743 605553496 /nfs/dbraw/zinc/55/34/96/605553496.db2.gz WOGGPEFSKVHKBP-CQSZACIVSA-N -1 3 368.437 3.313 20 0 FGADHM O=C([O-])N1CCC(N[C@@H]2CCc3c2c(Br)ccc3F)CC1 ZINC000834084970 605578387 /nfs/dbraw/zinc/57/83/87/605578387.db2.gz PPAVVRJAEFCMMV-CYBMUJFWSA-N -1 3 357.223 3.308 20 0 FGADHM O=C([O-])N1CCc2cccc(CN3CCC(OC[C@@H]4CCCCO4)CC3)c21 ZINC000834122157 605624331 /nfs/dbraw/zinc/62/43/31/605624331.db2.gz FAAHALLSAWKGLP-IBGZPJMESA-N -1 3 374.481 3.277 20 0 FGADHM O=C([O-])N1CC[C@@]2(C1)C[C@@H](NCCNc1ccccc1)c1ccccc1O2 ZINC000834088879 605640151 /nfs/dbraw/zinc/64/01/51/605640151.db2.gz ZPSUTSSOKWSPBG-NQIIRXRSSA-N -1 3 367.449 3.334 20 0 FGADHM O=C([O-])N1CC[C@@]2(C1)C[C@@H](NC[C@H](O)c1ccsc1)c1ccccc1O2 ZINC000834085674 605640164 /nfs/dbraw/zinc/64/01/64/605640164.db2.gz MONQLMXMFCCSMD-GJYPPUQNSA-N -1 3 374.462 3.017 20 0 FGADHM O=C([O-])N1CC[C@@]2(C1)C[C@H](NC[C@H](O)c1ccsc1)c1ccccc1O2 ZINC000834085672 605640570 /nfs/dbraw/zinc/64/05/70/605640570.db2.gz MONQLMXMFCCSMD-BXWFABGCSA-N -1 3 374.462 3.017 20 0 FGADHM O=C([O-])Nc1ccc(CN2CCC3(CC2)OCCc2ccsc23)cn1 ZINC000834260790 605656976 /nfs/dbraw/zinc/65/69/76/605656976.db2.gz YFFSYUCNSGEXDZ-UHFFFAOYSA-N -1 3 359.451 3.297 20 0 FGADHM O=C(Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)c1ccc(F)cc1 ZINC000826459413 607769934 /nfs/dbraw/zinc/76/99/34/607769934.db2.gz ITYLIFIWDQCJQG-UHFFFAOYSA-N -1 3 366.381 3.382 20 0 FGADHM O=C(Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)c1ccc(F)cc1 ZINC000826459413 607769935 /nfs/dbraw/zinc/76/99/35/607769935.db2.gz ITYLIFIWDQCJQG-UHFFFAOYSA-N -1 3 366.381 3.382 20 0 FGADHM O=C([O-])N[C@H]1C[C@H](NCc2ccc(N3CCCC3=O)cc2)c2ccccc21 ZINC000834157165 605789368 /nfs/dbraw/zinc/78/93/68/605789368.db2.gz GOHZRVHUEJNDIY-OALUTQOASA-N -1 3 365.433 3.357 20 0 FGADHM CCc1oc(C(=O)OC)cc1CSc1nc(C)cc(C)c1-c1nnn[n-]1 ZINC000821564060 606019138 /nfs/dbraw/zinc/01/91/38/606019138.db2.gz RPXQUBSHIYQVAC-UHFFFAOYSA-N -1 3 373.438 3.113 20 0 FGADHM CCc1oc(C(=O)OC)cc1CSc1nc(C)cc(C)c1-c1nn[n-]n1 ZINC000821564060 606019144 /nfs/dbraw/zinc/01/91/44/606019144.db2.gz RPXQUBSHIYQVAC-UHFFFAOYSA-N -1 3 373.438 3.113 20 0 FGADHM Cc1ccc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1N1CCOC1=O ZINC000822254749 606050327 /nfs/dbraw/zinc/05/03/27/606050327.db2.gz QICXJTISPVZNJA-CYBMUJFWSA-N -1 3 364.409 3.305 20 0 FGADHM Cc1ccc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1N1CCOC1=O ZINC000822254749 606050332 /nfs/dbraw/zinc/05/03/32/606050332.db2.gz QICXJTISPVZNJA-CYBMUJFWSA-N -1 3 364.409 3.305 20 0 FGADHM COCCSc1ccc([C@H](C)Nc2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000821694210 606069378 /nfs/dbraw/zinc/06/93/78/606069378.db2.gz CMNMXUWWXTVESQ-LBPRGKRZSA-N -1 3 356.455 3.173 20 0 FGADHM COCCSc1ccc([C@H](C)Nc2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000821694210 606069383 /nfs/dbraw/zinc/06/93/83/606069383.db2.gz CMNMXUWWXTVESQ-LBPRGKRZSA-N -1 3 356.455 3.173 20 0 FGADHM Brc1cccc(CCCNc2ccc(-c3nnn[n-]3)nc2)c1 ZINC000819688974 606077891 /nfs/dbraw/zinc/07/78/91/606077891.db2.gz RVLPGUJDGUQPTO-UHFFFAOYSA-N -1 3 359.231 3.069 20 0 FGADHM Brc1cccc(CCCNc2ccc(-c3nn[n-]n3)nc2)c1 ZINC000819688974 606077897 /nfs/dbraw/zinc/07/78/97/606077897.db2.gz RVLPGUJDGUQPTO-UHFFFAOYSA-N -1 3 359.231 3.069 20 0 FGADHM c1ccc2nc(NC[C@H]3CCOc4ccccc43)c(-c3nnn[n-]3)cc2c1 ZINC000823802663 606081445 /nfs/dbraw/zinc/08/14/45/606081445.db2.gz WXIKJGVLYIOJOJ-CQSZACIVSA-N -1 3 358.405 3.393 20 0 FGADHM c1ccc2nc(NC[C@H]3CCOc4ccccc43)c(-c3nn[n-]n3)cc2c1 ZINC000823802663 606081451 /nfs/dbraw/zinc/08/14/51/606081451.db2.gz WXIKJGVLYIOJOJ-CQSZACIVSA-N -1 3 358.405 3.393 20 0 FGADHM Cc1ncc2c(n1)CCC[C@H]2Nc1nc2ccccc2cc1-c1nnn[n-]1 ZINC000822471428 606088649 /nfs/dbraw/zinc/08/86/49/606088649.db2.gz BRLZAJLXIRAZJY-QGZVFWFLSA-N -1 3 358.409 3.003 20 0 FGADHM Cc1ncc2c(n1)CCC[C@H]2Nc1nc2ccccc2cc1-c1nn[n-]n1 ZINC000822471428 606088654 /nfs/dbraw/zinc/08/86/54/606088654.db2.gz BRLZAJLXIRAZJY-QGZVFWFLSA-N -1 3 358.409 3.003 20 0 FGADHM Cc1cccnc1C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000822369947 606122254 /nfs/dbraw/zinc/12/22/54/606122254.db2.gz PRVHYCVBSXFVCK-UHFFFAOYSA-N -1 3 354.439 3.153 20 0 FGADHM Cc1cccnc1C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000822369947 606122255 /nfs/dbraw/zinc/12/22/55/606122255.db2.gz PRVHYCVBSXFVCK-UHFFFAOYSA-N -1 3 354.439 3.153 20 0 FGADHM C[C@H](NC(=O)CSc1ccc(-c2nnn[n-]2)cc1)[C@@H](C)c1ccccc1 ZINC000820333821 606123176 /nfs/dbraw/zinc/12/31/76/606123176.db2.gz GXNICHQMQVXGNC-KGLIPLIRSA-N -1 3 367.478 3.267 20 0 FGADHM C[C@H](NC(=O)CSc1ccc(-c2nn[n-]n2)cc1)[C@@H](C)c1ccccc1 ZINC000820333821 606123177 /nfs/dbraw/zinc/12/31/77/606123177.db2.gz GXNICHQMQVXGNC-KGLIPLIRSA-N -1 3 367.478 3.267 20 0 FGADHM Cc1cccn2cc(CCNc3ccc(Cl)cc3-c3nnn[n-]3)nc12 ZINC000822366609 606139543 /nfs/dbraw/zinc/13/95/43/606139543.db2.gz PGRRRQHJOCCAMR-UHFFFAOYSA-N -1 3 353.817 3.131 20 0 FGADHM Cc1cccn2cc(CCNc3ccc(Cl)cc3-c3nn[n-]n3)nc12 ZINC000822366609 606139545 /nfs/dbraw/zinc/13/95/45/606139545.db2.gz PGRRRQHJOCCAMR-UHFFFAOYSA-N -1 3 353.817 3.131 20 0 FGADHM C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000820561883 606149162 /nfs/dbraw/zinc/14/91/62/606149162.db2.gz BIOKLHBJDCEPOZ-NEPJUHHUSA-N -1 3 370.844 3.179 20 0 FGADHM C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000820561883 606149163 /nfs/dbraw/zinc/14/91/63/606149163.db2.gz BIOKLHBJDCEPOZ-NEPJUHHUSA-N -1 3 370.844 3.179 20 0 FGADHM C[C@H](NC(=O)C/C=C/c1ccc(F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820321748 606153429 /nfs/dbraw/zinc/15/34/29/606153429.db2.gz MCOAZRHGVOIEFG-OHVSUOQFSA-N -1 3 351.385 3.287 20 0 FGADHM C[C@H](NC(=O)C/C=C/c1ccc(F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820321748 606153431 /nfs/dbraw/zinc/15/34/31/606153431.db2.gz MCOAZRHGVOIEFG-OHVSUOQFSA-N -1 3 351.385 3.287 20 0 FGADHM O=[S@](Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000823612500 606156342 /nfs/dbraw/zinc/15/63/42/606156342.db2.gz ANWUXHIQJNQQGI-JOCHJYFZSA-N -1 3 353.234 3.481 20 0 FGADHM O=[S@](Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000823612500 606156344 /nfs/dbraw/zinc/15/63/44/606156344.db2.gz ANWUXHIQJNQQGI-JOCHJYFZSA-N -1 3 353.234 3.481 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1cnn(C(C)C)c1 ZINC000821104672 606161700 /nfs/dbraw/zinc/16/17/00/606161700.db2.gz MHSWVALIRFNHTO-UHFFFAOYSA-N -1 3 368.445 3.088 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cnn(C(C)C)c1 ZINC000821104672 606161701 /nfs/dbraw/zinc/16/17/01/606161701.db2.gz MHSWVALIRFNHTO-UHFFFAOYSA-N -1 3 368.445 3.088 20 0 FGADHM CCc1cnc(CN(C)c2c(-c3nnn[n-]3)cnc3c(C)cccc32)s1 ZINC000821497551 606164233 /nfs/dbraw/zinc/16/42/33/606164233.db2.gz VUVZIRODFNYJOX-UHFFFAOYSA-N -1 3 365.466 3.379 20 0 FGADHM CCc1cnc(CN(C)c2c(-c3nn[n-]n3)cnc3c(C)cccc32)s1 ZINC000821497551 606164235 /nfs/dbraw/zinc/16/42/35/606164235.db2.gz VUVZIRODFNYJOX-UHFFFAOYSA-N -1 3 365.466 3.379 20 0 FGADHM CC(C)c1cnc(SCc2cn3ccccc3c2-c2nnn[n-]2)n1C ZINC000820197867 606172950 /nfs/dbraw/zinc/17/29/50/606172950.db2.gz OIAYLSVBBFVVGU-UHFFFAOYSA-N -1 3 353.455 3.269 20 0 FGADHM CC(C)c1cnc(SCc2cn3ccccc3c2-c2nn[n-]n2)n1C ZINC000820197867 606172952 /nfs/dbraw/zinc/17/29/52/606172952.db2.gz OIAYLSVBBFVVGU-UHFFFAOYSA-N -1 3 353.455 3.269 20 0 FGADHM Cc1cc(C)c(-c2nnn[n-]2)c(SC[C@@H](O)c2ccc(F)cc2C)n1 ZINC000822193408 606174442 /nfs/dbraw/zinc/17/44/42/606174442.db2.gz WOFLZCYZTCMKHP-CQSZACIVSA-N -1 3 359.430 3.152 20 0 FGADHM Cc1cc(C)c(-c2nn[n-]n2)c(SC[C@@H](O)c2ccc(F)cc2C)n1 ZINC000822193408 606174443 /nfs/dbraw/zinc/17/44/43/606174443.db2.gz WOFLZCYZTCMKHP-CQSZACIVSA-N -1 3 359.430 3.152 20 0 FGADHM Cc1nc(CCNc2ccc(C(F)(F)F)cc2-c2nnn[n-]2)cs1 ZINC000822440194 606174914 /nfs/dbraw/zinc/17/49/14/606174914.db2.gz JRLBYXZLYORMJL-UHFFFAOYSA-N -1 3 354.361 3.305 20 0 FGADHM Cc1nc(CCNc2ccc(C(F)(F)F)cc2-c2nn[n-]n2)cs1 ZINC000822440194 606174915 /nfs/dbraw/zinc/17/49/15/606174915.db2.gz JRLBYXZLYORMJL-UHFFFAOYSA-N -1 3 354.361 3.305 20 0 FGADHM CC[C@H]1CCCCN1C(=O)CS[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820978812 606179642 /nfs/dbraw/zinc/17/96/42/606179642.db2.gz CZSUIAGLQGHMCZ-CJNGLKHVSA-N -1 3 359.499 3.452 20 0 FGADHM CC[C@H]1CCCCN1C(=O)CS[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820978812 606179644 /nfs/dbraw/zinc/17/96/44/606179644.db2.gz CZSUIAGLQGHMCZ-CJNGLKHVSA-N -1 3 359.499 3.452 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)Oc1ccc(N2CCCC2)cc1 ZINC000822935913 606182446 /nfs/dbraw/zinc/18/24/46/606182446.db2.gz PVJWGYYZAKEFHC-GHXNOFRVSA-N -1 3 361.405 3.086 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)Oc1ccc(N2CCCC2)cc1 ZINC000822935913 606182448 /nfs/dbraw/zinc/18/24/48/606182448.db2.gz PVJWGYYZAKEFHC-GHXNOFRVSA-N -1 3 361.405 3.086 20 0 FGADHM C[C@@H]1[C@H](C)Sc2ccccc2N1C(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000820819386 606189700 /nfs/dbraw/zinc/18/97/00/606189700.db2.gz IERULXPLOFPRJM-OLZOCXBDSA-N -1 3 365.462 3.325 20 0 FGADHM C[C@@H]1[C@H](C)Sc2ccccc2N1C(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000820819386 606189701 /nfs/dbraw/zinc/18/97/01/606189701.db2.gz IERULXPLOFPRJM-OLZOCXBDSA-N -1 3 365.462 3.325 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CO[C@@H]1CCC[C@@H](C)C1 ZINC000821122956 606192379 /nfs/dbraw/zinc/19/23/79/606192379.db2.gz DGEMAXUHJBSULH-UKRRQHHQSA-N -1 3 372.473 3.222 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CO[C@H]1CCC[C@@H](C)C1 ZINC000821122955 606192432 /nfs/dbraw/zinc/19/24/32/606192432.db2.gz DGEMAXUHJBSULH-HIFRSBDPSA-N -1 3 372.473 3.222 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CO[C@H]1CCC[C@H](C)C1 ZINC000821122957 606192573 /nfs/dbraw/zinc/19/25/73/606192573.db2.gz DGEMAXUHJBSULH-ZFWWWQNUSA-N -1 3 372.473 3.222 20 0 FGADHM COc1cccc(C(C)=CC(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821857897 606220108 /nfs/dbraw/zinc/22/01/08/606220108.db2.gz BGIRDZRQKXIHIK-YPDDLIOESA-N -1 3 363.421 3.156 20 0 FGADHM COc1cccc(C(C)=CC(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821857897 606220110 /nfs/dbraw/zinc/22/01/10/606220110.db2.gz BGIRDZRQKXIHIK-YPDDLIOESA-N -1 3 363.421 3.156 20 0 FGADHM O=C(Cc1coc2cc(F)ccc12)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000823118492 606227583 /nfs/dbraw/zinc/22/75/83/606227583.db2.gz BAUNGPZPNNYTRQ-UHFFFAOYSA-N -1 3 370.315 3.177 20 0 FGADHM O=C(Cc1coc2cc(F)ccc12)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000823118492 606227584 /nfs/dbraw/zinc/22/75/84/606227584.db2.gz BAUNGPZPNNYTRQ-UHFFFAOYSA-N -1 3 370.315 3.177 20 0 FGADHM Cc1ccc(N[C@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)c(Cl)c1 ZINC000822255088 606241883 /nfs/dbraw/zinc/24/18/83/606241883.db2.gz VHZKDJGEEBLBEW-ZDUSSCGKSA-N -1 3 374.857 3.107 20 0 FGADHM Cc1ccc(N[C@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)c(Cl)c1 ZINC000822255088 606241885 /nfs/dbraw/zinc/24/18/85/606241885.db2.gz VHZKDJGEEBLBEW-ZDUSSCGKSA-N -1 3 374.857 3.107 20 0 FGADHM C[C@@H]1C[C@H]1CNC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000820668590 606256583 /nfs/dbraw/zinc/25/65/83/606256583.db2.gz VCRVIAOXWKFSIM-OCCSQVGLSA-N -1 3 365.462 3.404 20 0 FGADHM C[C@@H]1C[C@H]1CNC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000820668590 606256584 /nfs/dbraw/zinc/25/65/84/606256584.db2.gz VCRVIAOXWKFSIM-OCCSQVGLSA-N -1 3 365.462 3.404 20 0 FGADHM O=C(N[C@H](c1ccccc1)C1CCCCC1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823139709 606257134 /nfs/dbraw/zinc/25/71/34/606257134.db2.gz KESWXWRLBFXBKB-QGZVFWFLSA-N -1 3 350.426 3.246 20 0 FGADHM O=C(N[C@H](c1ccccc1)C1CCCCC1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823139709 606257135 /nfs/dbraw/zinc/25/71/35/606257135.db2.gz KESWXWRLBFXBKB-QGZVFWFLSA-N -1 3 350.426 3.246 20 0 FGADHM O=C(Nc1ccc(N2CCCCC2)c(Cl)c1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823350190 606262651 /nfs/dbraw/zinc/26/26/51/606262651.db2.gz CRBIABSJYCGTKG-UHFFFAOYSA-N -1 3 371.832 3.091 20 0 FGADHM O=C(Nc1ccc(N2CCCCC2)c(Cl)c1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823350190 606262653 /nfs/dbraw/zinc/26/26/53/606262653.db2.gz CRBIABSJYCGTKG-UHFFFAOYSA-N -1 3 371.832 3.091 20 0 FGADHM COc1ccc([C@@H](C)CC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000821778261 606264763 /nfs/dbraw/zinc/26/47/63/606264763.db2.gz XJRXPVWUKBANQW-NSHDSACASA-N -1 3 355.373 3.147 20 0 FGADHM COc1ccc([C@@H](C)CC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000821778261 606264764 /nfs/dbraw/zinc/26/47/64/606264764.db2.gz XJRXPVWUKBANQW-NSHDSACASA-N -1 3 355.373 3.147 20 0 FGADHM CC(C)COc1cccc(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000820103017 606265979 /nfs/dbraw/zinc/26/59/79/606265979.db2.gz NXVZGNDNQHHFEQ-UHFFFAOYSA-N -1 3 355.373 3.293 20 0 FGADHM CC(C)COc1cccc(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000820103017 606265980 /nfs/dbraw/zinc/26/59/80/606265980.db2.gz NXVZGNDNQHHFEQ-UHFFFAOYSA-N -1 3 355.373 3.293 20 0 FGADHM C[C@H]1C[C@H]1NC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000820674555 606267621 /nfs/dbraw/zinc/26/76/21/606267621.db2.gz FFIBBSHXHHNJAO-XHDPSFHLSA-N -1 3 351.435 3.156 20 0 FGADHM C[C@H]1C[C@H]1NC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000820674555 606267623 /nfs/dbraw/zinc/26/76/23/606267623.db2.gz FFIBBSHXHHNJAO-XHDPSFHLSA-N -1 3 351.435 3.156 20 0 FGADHM C[C@H](CCc1ccccc1F)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820254814 606268057 /nfs/dbraw/zinc/26/80/57/606268057.db2.gz XSPLGJKUYDESNB-LLVKDONJSA-N -1 3 357.364 3.352 20 0 FGADHM C[C@H](CCc1ccccc1F)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820254814 606268059 /nfs/dbraw/zinc/26/80/59/606268059.db2.gz XSPLGJKUYDESNB-LLVKDONJSA-N -1 3 357.364 3.352 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)c1ccc(Br)cc1 ZINC000823345730 606271120 /nfs/dbraw/zinc/27/11/20/606271120.db2.gz CVHDKUWHMQUWSP-UHFFFAOYSA-N -1 3 362.162 3.021 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)c1ccc(Br)cc1 ZINC000823345730 606271122 /nfs/dbraw/zinc/27/11/22/606271122.db2.gz CVHDKUWHMQUWSP-UHFFFAOYSA-N -1 3 362.162 3.021 20 0 FGADHM Cc1ccc(-c2cc(C(=O)Nc3ccc(F)cc3-c3nnn[n-]3)on2)cc1 ZINC000822214228 606272885 /nfs/dbraw/zinc/27/28/85/606272885.db2.gz VJYKZHLUWZHHNU-UHFFFAOYSA-N -1 3 364.340 3.222 20 0 FGADHM Cc1ccc(-c2cc(C(=O)Nc3ccc(F)cc3-c3nn[n-]n3)on2)cc1 ZINC000822214228 606272887 /nfs/dbraw/zinc/27/28/87/606272887.db2.gz VJYKZHLUWZHHNU-UHFFFAOYSA-N -1 3 364.340 3.222 20 0 FGADHM C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000820562538 606298554 /nfs/dbraw/zinc/29/85/54/606298554.db2.gz GOUIDQRQRRCMPE-WDEREUQCSA-N -1 3 358.833 3.112 20 0 FGADHM C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000820562538 606298555 /nfs/dbraw/zinc/29/85/55/606298555.db2.gz GOUIDQRQRRCMPE-WDEREUQCSA-N -1 3 358.833 3.112 20 0 FGADHM Cc1ccc(SCCS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000822271016 606308199 /nfs/dbraw/zinc/30/81/99/606308199.db2.gz IRVSMUKXQRYLQZ-UHFFFAOYSA-N -1 3 374.491 3.050 20 0 FGADHM Cc1ccc(SCCS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000822271016 606308201 /nfs/dbraw/zinc/30/82/01/606308201.db2.gz IRVSMUKXQRYLQZ-UHFFFAOYSA-N -1 3 374.491 3.050 20 0 FGADHM Cc1ccc(S[C@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)c(C)c1 ZINC000822266804 606310604 /nfs/dbraw/zinc/31/06/04/606310604.db2.gz JNXZBUNMJALRMJ-AWEZNQCLSA-N -1 3 371.491 3.443 20 0 FGADHM Cc1ccc(S[C@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)c(C)c1 ZINC000822266804 606310605 /nfs/dbraw/zinc/31/06/05/606310605.db2.gz JNXZBUNMJALRMJ-AWEZNQCLSA-N -1 3 371.491 3.443 20 0 FGADHM Cc1ccccc1Cc1nc(CSc2ccc(-c3nnn[n-]3)cc2)no1 ZINC000822362113 606310837 /nfs/dbraw/zinc/31/08/37/606310837.db2.gz MPBGUIOFNZTMEY-UHFFFAOYSA-N -1 3 364.434 3.441 20 0 FGADHM Cc1ccccc1Cc1nc(CSc2ccc(-c3nn[n-]n3)cc2)no1 ZINC000822362113 606310839 /nfs/dbraw/zinc/31/08/39/606310839.db2.gz MPBGUIOFNZTMEY-UHFFFAOYSA-N -1 3 364.434 3.441 20 0 FGADHM COC(=O)[C@@H](c1cccc(-c2nn[n-]n2)c1)N1CCC2(CCCCC2)CC1 ZINC000821651896 606319004 /nfs/dbraw/zinc/31/90/04/606319004.db2.gz IMUZIJLWCIOOAU-QGZVFWFLSA-N -1 3 369.469 3.127 20 0 FGADHM COc1ccc(N(Cc2ccccc2)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)cc1 ZINC000821827928 606322046 /nfs/dbraw/zinc/32/20/46/606322046.db2.gz NJKUFVIKNWTXTH-UHFFFAOYSA-N -1 3 374.404 3.050 20 0 FGADHM COc1ccc(N(Cc2ccccc2)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)cc1 ZINC000821827928 606322049 /nfs/dbraw/zinc/32/20/49/606322049.db2.gz NJKUFVIKNWTXTH-UHFFFAOYSA-N -1 3 374.404 3.050 20 0 FGADHM C[C@@H](OC(=O)[C@@H](C)Cc1cccc(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820299170 606343217 /nfs/dbraw/zinc/34/32/17/606343217.db2.gz CVBYAYJZHQOPID-QWHCGFSZSA-N -1 3 354.385 3.489 20 0 FGADHM C[C@@H](OC(=O)[C@@H](C)Cc1cccc(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820299170 606343218 /nfs/dbraw/zinc/34/32/18/606343218.db2.gz CVBYAYJZHQOPID-QWHCGFSZSA-N -1 3 354.385 3.489 20 0 FGADHM C[C@H](OC(=O)CCc1ccc(N(C)C)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820497688 606343800 /nfs/dbraw/zinc/34/38/00/606343800.db2.gz UNEKGNCJCNTMHK-AWEZNQCLSA-N -1 3 365.437 3.170 20 0 FGADHM C[C@H](OC(=O)CCc1ccc(N(C)C)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820497688 606343803 /nfs/dbraw/zinc/34/38/03/606343803.db2.gz UNEKGNCJCNTMHK-AWEZNQCLSA-N -1 3 365.437 3.170 20 0 FGADHM C[C@H](OC(=O)Cc1ccc(OC(F)F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820496043 606343856 /nfs/dbraw/zinc/34/38/56/606343856.db2.gz LDORGPDSRNYKRK-NSHDSACASA-N -1 3 374.347 3.315 20 0 FGADHM C[C@H](OC(=O)Cc1ccc(OC(F)F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820496043 606343859 /nfs/dbraw/zinc/34/38/59/606343859.db2.gz LDORGPDSRNYKRK-NSHDSACASA-N -1 3 374.347 3.315 20 0 FGADHM C[C@H](OC(=O)[C@H]1CSc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000820487818 606346059 /nfs/dbraw/zinc/34/60/59/606346059.db2.gz JKVZGNCOGRLCHK-NHYWBVRUSA-N -1 3 352.419 3.360 20 0 FGADHM C[C@H](OC(=O)[C@H]1CSc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000820487818 606346061 /nfs/dbraw/zinc/34/60/61/606346061.db2.gz JKVZGNCOGRLCHK-NHYWBVRUSA-N -1 3 352.419 3.360 20 0 FGADHM CC[C@@H](Oc1ccccc1F)C(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820937856 606346602 /nfs/dbraw/zinc/34/66/02/606346602.db2.gz FAJBTTHPNSGKSX-MLGOLLRUSA-N -1 3 370.384 3.468 20 0 FGADHM CC[C@@H](Oc1ccccc1F)C(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820937856 606346604 /nfs/dbraw/zinc/34/66/04/606346604.db2.gz FAJBTTHPNSGKSX-MLGOLLRUSA-N -1 3 370.384 3.468 20 0 FGADHM CCc1c(C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cnn1C(C)(C)C ZINC000821462312 606348412 /nfs/dbraw/zinc/34/84/12/606348412.db2.gz ZPSARVLCUQNEHV-LBPRGKRZSA-N -1 3 368.441 3.299 20 0 FGADHM CCc1c(C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cnn1C(C)(C)C ZINC000821462312 606348414 /nfs/dbraw/zinc/34/84/14/606348414.db2.gz ZPSARVLCUQNEHV-LBPRGKRZSA-N -1 3 368.441 3.299 20 0 FGADHM O=C(NCCc1ccc(Cl)s1)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000823219950 606353466 /nfs/dbraw/zinc/35/34/66/606353466.db2.gz UTUWJWIQCOFVDW-UHFFFAOYSA-N -1 3 366.809 3.085 20 0 FGADHM O=C(NCCc1ccc(Cl)s1)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000823219950 606353468 /nfs/dbraw/zinc/35/34/68/606353468.db2.gz UTUWJWIQCOFVDW-UHFFFAOYSA-N -1 3 366.809 3.085 20 0 FGADHM C[C@@H](OC(=O)COc1ccc2c(c1)CCC2)c1ccc(-c2nnn[n-]2)cc1 ZINC000820494560 606357719 /nfs/dbraw/zinc/35/77/19/606357719.db2.gz BFAKORVXUCJXDM-CYBMUJFWSA-N -1 3 364.405 3.039 20 0 FGADHM C[C@@H](OC(=O)COc1ccc2c(c1)CCC2)c1ccc(-c2nn[n-]n2)cc1 ZINC000820494560 606357720 /nfs/dbraw/zinc/35/77/20/606357720.db2.gz BFAKORVXUCJXDM-CYBMUJFWSA-N -1 3 364.405 3.039 20 0 FGADHM CS/C=C\C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000821956611 606361255 /nfs/dbraw/zinc/36/12/55/606361255.db2.gz STYKSKUKRYQTTB-FPLPWBNLSA-N -1 3 357.464 3.088 20 0 FGADHM Cc1cc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCC3)c(F)cc1F ZINC000822183960 606372542 /nfs/dbraw/zinc/37/25/42/606372542.db2.gz MQIDYJGAFNRUKA-UHFFFAOYSA-N -1 3 361.377 3.256 20 0 FGADHM Cc1cc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)c(F)cc1F ZINC000822183960 606372543 /nfs/dbraw/zinc/37/25/43/606372543.db2.gz MQIDYJGAFNRUKA-UHFFFAOYSA-N -1 3 361.377 3.256 20 0 FGADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)OCc1csc(C2CCCCC2)n1 ZINC000822665511 606386620 /nfs/dbraw/zinc/38/66/20/606386620.db2.gz REQISWDYYXFSPO-UHFFFAOYSA-N -1 3 372.454 3.066 20 0 FGADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)OCc1csc(C2CCCCC2)n1 ZINC000822665511 606386621 /nfs/dbraw/zinc/38/66/21/606386621.db2.gz REQISWDYYXFSPO-UHFFFAOYSA-N -1 3 372.454 3.066 20 0 FGADHM CCCCO[C@@H]1C[C@H](NC(=S)Nc2ccccc2-c2nnn[n-]2)C1(C)C ZINC000821072972 606392511 /nfs/dbraw/zinc/39/25/11/606392511.db2.gz XDVMXZPSJBWLHU-LSDHHAIUSA-N -1 3 374.514 3.137 20 0 FGADHM CCCCO[C@@H]1C[C@H](NC(=S)Nc2ccccc2-c2nn[n-]n2)C1(C)C ZINC000821072972 606392513 /nfs/dbraw/zinc/39/25/13/606392513.db2.gz XDVMXZPSJBWLHU-LSDHHAIUSA-N -1 3 374.514 3.137 20 0 FGADHM COc1cccc(CCC(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821863923 606397003 /nfs/dbraw/zinc/39/70/03/606397003.db2.gz RAPIKRXHPWUAMM-CYBMUJFWSA-N -1 3 352.394 3.112 20 0 FGADHM COc1cccc(CCC(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821863923 606397004 /nfs/dbraw/zinc/39/70/04/606397004.db2.gz RAPIKRXHPWUAMM-CYBMUJFWSA-N -1 3 352.394 3.112 20 0 FGADHM Fc1cccc(NCCC2CCN(CC(F)(F)F)CC2)c1-c1nnn[n-]1 ZINC000822791288 606403620 /nfs/dbraw/zinc/40/36/20/606403620.db2.gz GPTKLPRBNUJOGU-UHFFFAOYSA-N -1 3 372.370 3.082 20 0 FGADHM Fc1cccc(NCCC2CCN(CC(F)(F)F)CC2)c1-c1nn[n-]n1 ZINC000822791288 606403622 /nfs/dbraw/zinc/40/36/22/606403622.db2.gz GPTKLPRBNUJOGU-UHFFFAOYSA-N -1 3 372.370 3.082 20 0 FGADHM CCCCc1ccc(N(C)S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821077661 606413925 /nfs/dbraw/zinc/41/39/25/606413925.db2.gz PFGXDEXZCHHVHP-UHFFFAOYSA-N -1 3 371.466 3.034 20 0 FGADHM CCCCc1ccc(N(C)S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821077661 606413928 /nfs/dbraw/zinc/41/39/28/606413928.db2.gz PFGXDEXZCHHVHP-UHFFFAOYSA-N -1 3 371.466 3.034 20 0 FGADHM CCCCc1ccc(N(C)S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821077357 606414038 /nfs/dbraw/zinc/41/40/38/606414038.db2.gz BZNADOUIKMPPGM-UHFFFAOYSA-N -1 3 371.466 3.034 20 0 FGADHM CCCCc1ccc(N(C)S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821077357 606414040 /nfs/dbraw/zinc/41/40/40/606414040.db2.gz BZNADOUIKMPPGM-UHFFFAOYSA-N -1 3 371.466 3.034 20 0 FGADHM Clc1ccc2c(c1Cl)OC[C@@H]2NCc1ccc(-c2nnn[n-]2)s1 ZINC000822582525 606424044 /nfs/dbraw/zinc/42/40/44/606424044.db2.gz VUKZFFIJHQOPCB-JTQLQIEISA-N -1 3 368.249 3.458 20 0 FGADHM Clc1ccc2c(c1Cl)OC[C@@H]2NCc1ccc(-c2nn[n-]n2)s1 ZINC000822582525 606424047 /nfs/dbraw/zinc/42/40/47/606424047.db2.gz VUKZFFIJHQOPCB-JTQLQIEISA-N -1 3 368.249 3.458 20 0 FGADHM Cc1cc(C)c(-c2nnn[n-]2)c(N2CCC(c3ccc(F)cc3)CC2)n1 ZINC000822191637 606432535 /nfs/dbraw/zinc/43/25/35/606432535.db2.gz MKZFLYDHLVZWFE-UHFFFAOYSA-N -1 3 352.417 3.402 20 0 FGADHM Cc1cc(C)c(-c2nn[n-]n2)c(N2CCC(c3ccc(F)cc3)CC2)n1 ZINC000822191637 606432537 /nfs/dbraw/zinc/43/25/37/606432537.db2.gz MKZFLYDHLVZWFE-UHFFFAOYSA-N -1 3 352.417 3.402 20 0 FGADHM C[C@H]1CCCN1C(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000820709985 606438321 /nfs/dbraw/zinc/43/83/21/606438321.db2.gz MVMPICNRDGQYIR-AWEZNQCLSA-N -1 3 363.421 3.070 20 0 FGADHM C[C@H]1CCCN1C(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000820709985 606438323 /nfs/dbraw/zinc/43/83/23/606438323.db2.gz MVMPICNRDGQYIR-AWEZNQCLSA-N -1 3 363.421 3.070 20 0 FGADHM NC(=O)c1ccccc1NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000822890125 606441106 /nfs/dbraw/zinc/44/11/06/606441106.db2.gz MKBVRUDBJGWSLX-UHFFFAOYSA-N -1 3 370.416 3.245 20 0 FGADHM NC(=O)c1ccccc1NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000822890125 606441108 /nfs/dbraw/zinc/44/11/08/606441108.db2.gz MKBVRUDBJGWSLX-UHFFFAOYSA-N -1 3 370.416 3.245 20 0 FGADHM CC(C)(C)NC(=O)c1cccc(NCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000819923032 606447874 /nfs/dbraw/zinc/44/78/74/606447874.db2.gz UKEWINKPCANTRF-UHFFFAOYSA-N -1 3 350.426 3.007 20 0 FGADHM CC(C)(C)NC(=O)c1cccc(NCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000819923032 606447876 /nfs/dbraw/zinc/44/78/76/606447876.db2.gz UKEWINKPCANTRF-UHFFFAOYSA-N -1 3 350.426 3.007 20 0 FGADHM CCCNC(=O)c1ccc(Cl)cc1NCc1cccc(-c2nnn[n-]2)c1 ZINC000821118574 606448312 /nfs/dbraw/zinc/44/83/12/606448312.db2.gz PJKTYQIVOJBTOW-UHFFFAOYSA-N -1 3 370.844 3.272 20 0 FGADHM CCCNC(=O)c1ccc(Cl)cc1NCc1cccc(-c2nn[n-]n2)c1 ZINC000821118574 606448314 /nfs/dbraw/zinc/44/83/14/606448314.db2.gz PJKTYQIVOJBTOW-UHFFFAOYSA-N -1 3 370.844 3.272 20 0 FGADHM Fc1ccc(OC[C@H]2CCCO2)c(NCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822782752 606459452 /nfs/dbraw/zinc/45/94/52/606459452.db2.gz FIMYXKKIDJEVNV-MRXNPFEDSA-N -1 3 369.400 3.176 20 0 FGADHM Fc1ccc(OC[C@H]2CCCO2)c(NCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822782752 606459454 /nfs/dbraw/zinc/45/94/54/606459454.db2.gz FIMYXKKIDJEVNV-MRXNPFEDSA-N -1 3 369.400 3.176 20 0 FGADHM C[S@](=O)Cc1ccc(Cl)c(NCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000821941365 606460853 /nfs/dbraw/zinc/46/08/53/606460853.db2.gz FHMPTKASXSVUQU-DEOSSOPVSA-N -1 3 361.858 3.011 20 0 FGADHM C[S@](=O)Cc1ccc(Cl)c(NCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000821941365 606460855 /nfs/dbraw/zinc/46/08/55/606460855.db2.gz FHMPTKASXSVUQU-DEOSSOPVSA-N -1 3 361.858 3.011 20 0 FGADHM Cc1ccccc1[C@H]1CN(c2cccc(F)c2-c2nnn[n-]2)[C@H](C)CO1 ZINC000822351743 606476259 /nfs/dbraw/zinc/47/62/59/606476259.db2.gz PVMNWGVIERAUTD-CXAGYDPISA-N -1 3 353.401 3.281 20 0 FGADHM Cc1ccccc1[C@H]1CN(c2cccc(F)c2-c2nn[n-]n2)[C@H](C)CO1 ZINC000822351743 606476260 /nfs/dbraw/zinc/47/62/60/606476260.db2.gz PVMNWGVIERAUTD-CXAGYDPISA-N -1 3 353.401 3.281 20 0 FGADHM C[C@@H](CNc1c(-c2nnn[n-]2)cnc2ccc(Cl)cc21)c1ccncc1 ZINC000820276797 606476913 /nfs/dbraw/zinc/47/69/13/606476913.db2.gz ZSWMYDQBKWTWRR-NSHDSACASA-N -1 3 365.828 3.101 20 0 FGADHM C[C@@H](CNc1c(-c2nn[n-]n2)cnc2ccc(Cl)cc21)c1ccncc1 ZINC000820276797 606476915 /nfs/dbraw/zinc/47/69/15/606476915.db2.gz ZSWMYDQBKWTWRR-NSHDSACASA-N -1 3 365.828 3.101 20 0 FGADHM O=C(Nc1nc(-c2ccc(F)cc2)cs1)c1cc(-c2nnn[n-]2)cs1 ZINC000823376181 606479083 /nfs/dbraw/zinc/47/90/83/606479083.db2.gz YNYVCLBEYZVOOQ-UHFFFAOYSA-N -1 3 372.410 3.443 20 0 FGADHM O=C(Nc1nc(-c2ccc(F)cc2)cs1)c1cc(-c2nn[n-]n2)cs1 ZINC000823376181 606479084 /nfs/dbraw/zinc/47/90/84/606479084.db2.gz YNYVCLBEYZVOOQ-UHFFFAOYSA-N -1 3 372.410 3.443 20 0 FGADHM C[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)cs2)c2ccccc2S1 ZINC000820716537 606485411 /nfs/dbraw/zinc/48/54/11/606485411.db2.gz JIDZELMHOMTZHV-JTQLQIEISA-N -1 3 357.464 3.459 20 0 FGADHM C[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)cs2)c2ccccc2S1 ZINC000820716537 606485412 /nfs/dbraw/zinc/48/54/12/606485412.db2.gz JIDZELMHOMTZHV-JTQLQIEISA-N -1 3 357.464 3.459 20 0 FGADHM O=C(N[C@@H]1CCSc2ccc(F)cc21)c1cc(-c2nnn[n-]2)cs1 ZINC000823161529 606485705 /nfs/dbraw/zinc/48/57/05/606485705.db2.gz NUQVGZDCWUKDMK-LLVKDONJSA-N -1 3 361.427 3.034 20 0 FGADHM O=C(N[C@@H]1CCSc2ccc(F)cc21)c1cc(-c2nn[n-]n2)cs1 ZINC000823161529 606485707 /nfs/dbraw/zinc/48/57/07/606485707.db2.gz NUQVGZDCWUKDMK-LLVKDONJSA-N -1 3 361.427 3.034 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000823087268 606503930 /nfs/dbraw/zinc/50/39/30/606503930.db2.gz MOLZQHVNEURJTQ-QGZVFWFLSA-N -1 3 367.840 3.426 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000823087268 606503931 /nfs/dbraw/zinc/50/39/31/606503931.db2.gz MOLZQHVNEURJTQ-QGZVFWFLSA-N -1 3 367.840 3.426 20 0 FGADHM Cc1cccc(CN(CC(C)C)C(=O)Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822304170 606505714 /nfs/dbraw/zinc/50/57/14/606505714.db2.gz RHEAQOSXTPYZOU-UHFFFAOYSA-N -1 3 363.465 3.402 20 0 FGADHM Cc1cccc(CN(CC(C)C)C(=O)Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822304170 606505716 /nfs/dbraw/zinc/50/57/16/606505716.db2.gz RHEAQOSXTPYZOU-UHFFFAOYSA-N -1 3 363.465 3.402 20 0 FGADHM Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000822212695 606511581 /nfs/dbraw/zinc/51/15/81/606511581.db2.gz COCOJBBYMNKCEU-MRXNPFEDSA-N -1 3 365.437 3.141 20 0 FGADHM Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000822212695 606511582 /nfs/dbraw/zinc/51/15/82/606511582.db2.gz COCOJBBYMNKCEU-MRXNPFEDSA-N -1 3 365.437 3.141 20 0 FGADHM C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)cs1)c1nc2ccccc2s1 ZINC000820391869 606512094 /nfs/dbraw/zinc/51/20/94/606512094.db2.gz RTORPPCSQUPHPE-MRVPVSSYSA-N -1 3 356.436 3.029 20 0 FGADHM C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)cs1)c1nc2ccccc2s1 ZINC000820391869 606512095 /nfs/dbraw/zinc/51/20/95/606512095.db2.gz RTORPPCSQUPHPE-MRVPVSSYSA-N -1 3 356.436 3.029 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1ccc(Oc2ccccc2)nc1 ZINC000823104475 606515375 /nfs/dbraw/zinc/51/53/75/606515375.db2.gz XMYVPBUTSMNOLI-UHFFFAOYSA-N -1 3 372.388 3.235 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1ccc(Oc2ccccc2)nc1 ZINC000823104475 606515376 /nfs/dbraw/zinc/51/53/76/606515376.db2.gz XMYVPBUTSMNOLI-UHFFFAOYSA-N -1 3 372.388 3.235 20 0 FGADHM O=C(N[C@H]1C[C@@H]1c1c(F)cccc1Cl)c1cc(-c2nnn[n-]2)cs1 ZINC000823145287 606516994 /nfs/dbraw/zinc/51/69/94/606516994.db2.gz PZIGRMXUMNKURQ-KWQFWETISA-N -1 3 363.805 3.007 20 0 FGADHM O=C(N[C@H]1C[C@@H]1c1c(F)cccc1Cl)c1cc(-c2nn[n-]n2)cs1 ZINC000823145287 606516996 /nfs/dbraw/zinc/51/69/96/606516996.db2.gz PZIGRMXUMNKURQ-KWQFWETISA-N -1 3 363.805 3.007 20 0 FGADHM C[C@H](NC(=O)N[C@@H](C)c1ccc(F)cc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000820372536 606529199 /nfs/dbraw/zinc/52/91/99/606529199.db2.gz ALNZNQNFECGIQE-QWRGUYRKSA-N -1 3 372.379 3.266 20 0 FGADHM C[C@H](NC(=O)N[C@@H](C)c1ccc(F)cc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000820372536 606529200 /nfs/dbraw/zinc/52/92/00/606529200.db2.gz ALNZNQNFECGIQE-QWRGUYRKSA-N -1 3 372.379 3.266 20 0 FGADHM O=C(c1cc(-c2nnn[n-]2)cs1)N1CCC(Cc2ccc(F)cc2)CC1 ZINC000823467288 606540686 /nfs/dbraw/zinc/54/06/86/606540686.db2.gz TXMNSUMYWRUENT-UHFFFAOYSA-N -1 3 371.441 3.162 20 0 FGADHM O=C(c1cc(-c2nn[n-]n2)cs1)N1CCC(Cc2ccc(F)cc2)CC1 ZINC000823467288 606540687 /nfs/dbraw/zinc/54/06/87/606540687.db2.gz TXMNSUMYWRUENT-UHFFFAOYSA-N -1 3 371.441 3.162 20 0 FGADHM O=C(c1cc(-c2nnn[n-]2)cs1)N1CCC[C@H](Cc2ccccc2)C1 ZINC000823472626 606542339 /nfs/dbraw/zinc/54/23/39/606542339.db2.gz SWPUVEBSRAYNOJ-CQSZACIVSA-N -1 3 353.451 3.023 20 0 FGADHM O=C(c1cc(-c2nn[n-]n2)cs1)N1CCC[C@H](Cc2ccccc2)C1 ZINC000823472626 606542341 /nfs/dbraw/zinc/54/23/41/606542341.db2.gz SWPUVEBSRAYNOJ-CQSZACIVSA-N -1 3 353.451 3.023 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)NC1(c2ccc(F)cc2)CCCC1 ZINC000823092831 606547928 /nfs/dbraw/zinc/54/79/28/606547928.db2.gz MIWXHEAJAAPAPE-UHFFFAOYSA-N -1 3 365.412 3.134 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)NC1(c2ccc(F)cc2)CCCC1 ZINC000823092831 606547930 /nfs/dbraw/zinc/54/79/30/606547930.db2.gz MIWXHEAJAAPAPE-UHFFFAOYSA-N -1 3 365.412 3.134 20 0 FGADHM O=C(NC[C@@H]1CCC[C@H](C(F)(F)F)C1)c1sccc1-c1nnn[n-]1 ZINC000823175872 606554876 /nfs/dbraw/zinc/55/48/76/606554876.db2.gz NVVXPZWGAJPDIN-BDAKNGLRSA-N -1 3 359.377 3.027 20 0 FGADHM O=C(NC[C@@H]1CCC[C@H](C(F)(F)F)C1)c1sccc1-c1nn[n-]n1 ZINC000823175872 606554878 /nfs/dbraw/zinc/55/48/78/606554878.db2.gz NVVXPZWGAJPDIN-BDAKNGLRSA-N -1 3 359.377 3.027 20 0 FGADHM Cc1nc(SCc2ccc(-c3nnn[n-]3)cc2OC(F)F)oc1C ZINC000822452793 606589204 /nfs/dbraw/zinc/58/92/04/606589204.db2.gz ABJQUAXPIFMWQX-UHFFFAOYSA-N -1 3 353.354 3.365 20 0 FGADHM Cc1nc(SCc2ccc(-c3nn[n-]n3)cc2OC(F)F)oc1C ZINC000822452793 606589205 /nfs/dbraw/zinc/58/92/05/606589205.db2.gz ABJQUAXPIFMWQX-UHFFFAOYSA-N -1 3 353.354 3.365 20 0 FGADHM Fc1cccc(NCc2ccc(-c3nnn[n-]3)cc2OC(F)F)c1F ZINC000822790961 606597925 /nfs/dbraw/zinc/59/79/25/606597925.db2.gz BHQDUCJLYQGZKX-UHFFFAOYSA-N -1 3 353.279 3.358 20 0 FGADHM Fc1cccc(NCc2ccc(-c3nn[n-]n3)cc2OC(F)F)c1F ZINC000822790961 606597927 /nfs/dbraw/zinc/59/79/27/606597927.db2.gz BHQDUCJLYQGZKX-UHFFFAOYSA-N -1 3 353.279 3.358 20 0 FGADHM O=C(N[C@@H](C1CCCCC1)C(F)(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000823139700 606605628 /nfs/dbraw/zinc/60/56/28/606605628.db2.gz JZAWPYSMBSEIAZ-ZDUSSCGKSA-N -1 3 353.348 3.108 20 0 FGADHM O=C(N[C@@H](C1CCCCC1)C(F)(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000823139700 606605630 /nfs/dbraw/zinc/60/56/30/606605630.db2.gz JZAWPYSMBSEIAZ-ZDUSSCGKSA-N -1 3 353.348 3.108 20 0 FGADHM Cc1noc(C2CCC(Nc3ccc(Cl)cc3-c3nn[n-]n3)CC2)n1 ZINC000822528093 606610171 /nfs/dbraw/zinc/61/01/71/606610171.db2.gz SCLNGNWIOGKFHI-UHFFFAOYSA-N -1 3 359.821 3.350 20 0 FGADHM Cc1noc(C2CCC(Nc3ccc(Cl)cc3-c3nnn[n-]3)CC2)n1 ZINC000822528093 606610169 /nfs/dbraw/zinc/61/01/69/606610169.db2.gz SCLNGNWIOGKFHI-UHFFFAOYSA-N -1 3 359.821 3.350 20 0 FGADHM C[C@H]1CCc2c(sc(NC(=O)C3CC(F)(F)C3)c2-c2nnn[n-]2)C1 ZINC000820728861 606620919 /nfs/dbraw/zinc/62/09/19/606620919.db2.gz ZQDQDDUPUBRJPO-ZETCQYMHSA-N -1 3 353.398 3.037 20 0 FGADHM C[C@H]1CCc2c(sc(NC(=O)C3CC(F)(F)C3)c2-c2nn[n-]n2)C1 ZINC000820728861 606620921 /nfs/dbraw/zinc/62/09/21/606620921.db2.gz ZQDQDDUPUBRJPO-ZETCQYMHSA-N -1 3 353.398 3.037 20 0 FGADHM CC1(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)nc2)CCC1 ZINC000820577591 606625731 /nfs/dbraw/zinc/62/57/31/606625731.db2.gz RMZDHMOBRIVLPR-UHFFFAOYSA-N -1 3 350.382 3.183 20 0 FGADHM CC1(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)nc2)CCC1 ZINC000820577591 606625733 /nfs/dbraw/zinc/62/57/33/606625733.db2.gz RMZDHMOBRIVLPR-UHFFFAOYSA-N -1 3 350.382 3.183 20 0 FGADHM CC[C@H](C)Oc1ccc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC)cc1 ZINC000820876423 606629634 /nfs/dbraw/zinc/62/96/34/606629634.db2.gz QCSTVNGLRYIFNZ-LBPRGKRZSA-N -1 3 367.409 3.305 20 0 FGADHM CC[C@H](C)Oc1ccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC)cc1 ZINC000820876423 606629636 /nfs/dbraw/zinc/62/96/36/606629636.db2.gz QCSTVNGLRYIFNZ-LBPRGKRZSA-N -1 3 367.409 3.305 20 0 FGADHM Clc1ccc(SCc2nc(-c3ccco3)no2)c(-c2nnn[n-]2)c1 ZINC000822578872 606630796 /nfs/dbraw/zinc/63/07/96/606630796.db2.gz SAGOYWSEYFKZHW-UHFFFAOYSA-N -1 3 360.786 3.455 20 0 FGADHM Clc1ccc(SCc2nc(-c3ccco3)no2)c(-c2nn[n-]n2)c1 ZINC000822578872 606630798 /nfs/dbraw/zinc/63/07/98/606630798.db2.gz SAGOYWSEYFKZHW-UHFFFAOYSA-N -1 3 360.786 3.455 20 0 FGADHM O=C1[C@@H](Sc2ccc(Cl)cc2-c2nnn[n-]2)CCN1c1ccccc1 ZINC000823511912 606631539 /nfs/dbraw/zinc/63/15/39/606631539.db2.gz IXDQPHNASCBVGM-HNNXBMFYSA-N -1 3 371.853 3.418 20 0 FGADHM O=C1[C@@H](Sc2ccc(Cl)cc2-c2nn[n-]n2)CCN1c1ccccc1 ZINC000823511912 606631540 /nfs/dbraw/zinc/63/15/40/606631540.db2.gz IXDQPHNASCBVGM-HNNXBMFYSA-N -1 3 371.853 3.418 20 0 FGADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)C=CSCc2ccco2)s1 ZINC000821466246 606655628 /nfs/dbraw/zinc/65/56/28/606655628.db2.gz VHHFZAYMTYMYME-ALCCZGGFSA-N -1 3 361.452 3.469 20 0 FGADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)/C=C\SCc2ccco2)s1 ZINC000821466246 606655629 /nfs/dbraw/zinc/65/56/29/606655629.db2.gz VHHFZAYMTYMYME-ALCCZGGFSA-N -1 3 361.452 3.469 20 0 FGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@H]2CCC[C@@H]21 ZINC000820151212 606657129 /nfs/dbraw/zinc/65/71/29/606657129.db2.gz CVXSRPVRBSDQBT-CJNGLKHVSA-N -1 3 370.457 3.450 20 0 FGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@H]2CCC[C@@H]21 ZINC000820151212 606657130 /nfs/dbraw/zinc/65/71/30/606657130.db2.gz CVXSRPVRBSDQBT-CJNGLKHVSA-N -1 3 370.457 3.450 20 0 FGADHM C[C@@H]1CCC[C@@H](C)C1NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000820689730 606658764 /nfs/dbraw/zinc/65/87/64/606658764.db2.gz CGPMHCHWWIVZAD-ZIAGYGMSSA-N -1 3 368.485 3.365 20 0 FGADHM C[C@@H]1CCC[C@@H](C)C1NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000820689730 606658765 /nfs/dbraw/zinc/65/87/65/606658765.db2.gz CGPMHCHWWIVZAD-ZIAGYGMSSA-N -1 3 368.485 3.365 20 0 FGADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)[C@@H]1C[C@@H]1Cc1ccccc1 ZINC000823333043 606665673 /nfs/dbraw/zinc/66/56/73/606665673.db2.gz XJKNRKLSKYHBJR-GXTWGEPZSA-N -1 3 353.813 3.337 20 0 FGADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)[C@@H]1C[C@@H]1Cc1ccccc1 ZINC000823333043 606665674 /nfs/dbraw/zinc/66/56/74/606665674.db2.gz XJKNRKLSKYHBJR-GXTWGEPZSA-N -1 3 353.813 3.337 20 0 FGADHM O=C(Nc1nc(-c2ccco2)cs1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823376056 606672051 /nfs/dbraw/zinc/67/20/51/606672051.db2.gz VRDBAUZPNDXVFB-UHFFFAOYSA-N -1 3 374.332 3.114 20 0 FGADHM O=C(Nc1nc(-c2ccco2)cs1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823376056 606672052 /nfs/dbraw/zinc/67/20/52/606672052.db2.gz VRDBAUZPNDXVFB-UHFFFAOYSA-N -1 3 374.332 3.114 20 0 FGADHM CC(C)CC[C@H]1CCC[C@@H]1NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820073910 606676720 /nfs/dbraw/zinc/67/67/20/606676720.db2.gz XALSTPZRSSSTLA-ABAIWWIYSA-N -1 3 363.412 3.480 20 0 FGADHM CC(C)CC[C@H]1CCC[C@@H]1NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820073910 606676721 /nfs/dbraw/zinc/67/67/21/606676721.db2.gz XALSTPZRSSSTLA-ABAIWWIYSA-N -1 3 363.412 3.480 20 0 FGADHM CCc1ccc([C@H]2CCCN2C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)o1 ZINC000821481060 606680665 /nfs/dbraw/zinc/68/06/65/606680665.db2.gz HQUMMAWZTVYBIC-CQSZACIVSA-N -1 3 373.363 3.278 20 0 FGADHM CCc1ccc([C@H]2CCCN2C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)o1 ZINC000821481060 606680666 /nfs/dbraw/zinc/68/06/66/606680666.db2.gz HQUMMAWZTVYBIC-CQSZACIVSA-N -1 3 373.363 3.278 20 0 FGADHM O=C(c1c(F)cc(-c2nnn[n-]2)cc1F)N1CCCCC[C@@H]1c1ccco1 ZINC000823453876 606681123 /nfs/dbraw/zinc/68/11/23/606681123.db2.gz CRSATOAJKSEJOZ-CQSZACIVSA-N -1 3 373.363 3.495 20 0 FGADHM O=C(c1c(F)cc(-c2nn[n-]n2)cc1F)N1CCCCC[C@@H]1c1ccco1 ZINC000823453876 606681124 /nfs/dbraw/zinc/68/11/24/606681124.db2.gz CRSATOAJKSEJOZ-CQSZACIVSA-N -1 3 373.363 3.495 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N1CC[C@H](c2ccc(F)cc2)C1 ZINC000822928962 606690488 /nfs/dbraw/zinc/69/04/88/606690488.db2.gz OLECFNNBQHEPJM-JCVNQNCUSA-N -1 3 363.396 3.035 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N1CC[C@H](c2ccc(F)cc2)C1 ZINC000822928962 606690489 /nfs/dbraw/zinc/69/04/89/606690489.db2.gz OLECFNNBQHEPJM-JCVNQNCUSA-N -1 3 363.396 3.035 20 0 FGADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N(C)C1CCC(C)(C)CC1 ZINC000820536505 606690965 /nfs/dbraw/zinc/69/09/65/606690965.db2.gz VJCGMNOZRMVDHN-CYBMUJFWSA-N -1 3 357.458 3.061 20 0 FGADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N(C)C1CCC(C)(C)CC1 ZINC000820536505 606690966 /nfs/dbraw/zinc/69/09/66/606690966.db2.gz VJCGMNOZRMVDHN-CYBMUJFWSA-N -1 3 357.458 3.061 20 0 FGADHM Cc1ccc(NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)c(C)n1 ZINC000822242347 606693127 /nfs/dbraw/zinc/69/31/27/606693127.db2.gz IWLTVGQPKJCMGF-UHFFFAOYSA-N -1 3 366.425 3.066 20 0 FGADHM Cc1ccc(NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)c(C)n1 ZINC000822242347 606693128 /nfs/dbraw/zinc/69/31/28/606693128.db2.gz IWLTVGQPKJCMGF-UHFFFAOYSA-N -1 3 366.425 3.066 20 0 FGADHM CC1(C)CN(C(=O)c2ccc(-c3nnn[n-]3)cc2)c2ccccc2S1 ZINC000820601676 606693157 /nfs/dbraw/zinc/69/31/57/606693157.db2.gz RLIRCPBWODYFNK-UHFFFAOYSA-N -1 3 351.435 3.398 20 0 FGADHM CC1(C)CN(C(=O)c2ccc(-c3nn[n-]n3)cc2)c2ccccc2S1 ZINC000820601676 606693158 /nfs/dbraw/zinc/69/31/58/606693158.db2.gz RLIRCPBWODYFNK-UHFFFAOYSA-N -1 3 351.435 3.398 20 0 FGADHM COCCOc1cc(C)ccc1CNc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000821692977 606727148 /nfs/dbraw/zinc/72/71/48/606727148.db2.gz MCAYAEWIUAXMFV-UHFFFAOYSA-N -1 3 373.844 3.466 20 0 FGADHM COCCOc1cc(C)ccc1CNc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000821692977 606727149 /nfs/dbraw/zinc/72/71/49/606727149.db2.gz MCAYAEWIUAXMFV-UHFFFAOYSA-N -1 3 373.844 3.466 20 0 FGADHM CCC1(CNC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)CCCC1 ZINC000820962426 606743569 /nfs/dbraw/zinc/74/35/69/606743569.db2.gz QTBOHKKTPVEOOL-UHFFFAOYSA-N -1 3 359.499 3.187 20 0 FGADHM CCC1(CNC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC000820962426 606743570 /nfs/dbraw/zinc/74/35/70/606743570.db2.gz QTBOHKKTPVEOOL-UHFFFAOYSA-N -1 3 359.499 3.187 20 0 FGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1)c1cc(F)cc(C(F)(F)F)c1 ZINC000823431544 606750233 /nfs/dbraw/zinc/75/02/33/606750233.db2.gz QYOCCMAAKBQKMV-UHFFFAOYSA-N -1 3 366.274 3.382 20 0 FGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1)c1cc(F)cc(C(F)(F)F)c1 ZINC000823431544 606750235 /nfs/dbraw/zinc/75/02/35/606750235.db2.gz QYOCCMAAKBQKMV-UHFFFAOYSA-N -1 3 366.274 3.382 20 0 FGADHM C[C@@H](OC1CCCCCC1)C(=O)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000820518734 606763911 /nfs/dbraw/zinc/76/39/11/606763911.db2.gz JTSWNOAEUALBAW-GFCCVEGCSA-N -1 3 362.405 3.177 20 0 FGADHM C[C@@H](OC1CCCCCC1)C(=O)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000820518734 606763913 /nfs/dbraw/zinc/76/39/13/606763913.db2.gz JTSWNOAEUALBAW-GFCCVEGCSA-N -1 3 362.405 3.177 20 0 FGADHM CCc1ccc(NC(=O)COc2cc(Cl)ccc2-c2nnn[n-]2)cc1 ZINC000821487065 606781099 /nfs/dbraw/zinc/78/10/99/606781099.db2.gz PDGNOBNRUXGAFP-UHFFFAOYSA-N -1 3 357.801 3.100 20 0 FGADHM CCc1ccc(NC(=O)COc2cc(Cl)ccc2-c2nn[n-]n2)cc1 ZINC000821487065 606781100 /nfs/dbraw/zinc/78/11/00/606781100.db2.gz PDGNOBNRUXGAFP-UHFFFAOYSA-N -1 3 357.801 3.100 20 0 FGADHM Clc1ccc(-c2nnn[n-]2)c(OCc2nc(Cc3ccccc3)no2)c1 ZINC000822573965 606781605 /nfs/dbraw/zinc/78/16/05/606781605.db2.gz LSLCKXBXCMQVNQ-UHFFFAOYSA-N -1 3 368.784 3.073 20 0 FGADHM Clc1ccc(-c2nn[n-]n2)c(OCc2nc(Cc3ccccc3)no2)c1 ZINC000822573965 606781607 /nfs/dbraw/zinc/78/16/07/606781607.db2.gz LSLCKXBXCMQVNQ-UHFFFAOYSA-N -1 3 368.784 3.073 20 0 FGADHM O=C(NCCCOc1ccc2ccccc2c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823190712 606803458 /nfs/dbraw/zinc/80/34/58/606803458.db2.gz DLEGZAUXKJXSMO-UHFFFAOYSA-N -1 3 373.416 3.219 20 0 FGADHM O=C(NCCCOc1ccc2ccccc2c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823190712 606803460 /nfs/dbraw/zinc/80/34/60/606803460.db2.gz DLEGZAUXKJXSMO-UHFFFAOYSA-N -1 3 373.416 3.219 20 0 FGADHM Cc1ccc(CC(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)c(Cl)c1 ZINC000822233245 606811132 /nfs/dbraw/zinc/81/11/32/606811132.db2.gz LDHOPLAXPRVHKD-UHFFFAOYSA-N -1 3 359.792 3.173 20 0 FGADHM Cc1ccc(CC(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)c(Cl)c1 ZINC000822233245 606811134 /nfs/dbraw/zinc/81/11/34/606811134.db2.gz LDHOPLAXPRVHKD-UHFFFAOYSA-N -1 3 359.792 3.173 20 0 FGADHM CC(C)CN(C(=O)c1ccc(-c2nnn[n-]2)cn1)c1ccc(Cl)cc1 ZINC000820081309 606811872 /nfs/dbraw/zinc/81/18/72/606811872.db2.gz BEWPHMQKVZHIEN-UHFFFAOYSA-N -1 3 356.817 3.218 20 0 FGADHM CC(C)CN(C(=O)c1ccc(-c2nn[n-]n2)cn1)c1ccc(Cl)cc1 ZINC000820081309 606811874 /nfs/dbraw/zinc/81/18/74/606811874.db2.gz BEWPHMQKVZHIEN-UHFFFAOYSA-N -1 3 356.817 3.218 20 0 FGADHM O=C(c1ccc(-c2nnn[n-]2)cc1)N1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000823477770 606814838 /nfs/dbraw/zinc/81/48/38/606814838.db2.gz BKBZZOAFIFMXSL-MRXNPFEDSA-N -1 3 374.404 3.375 20 0 FGADHM O=C(c1ccc(-c2nn[n-]n2)cc1)N1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000823477770 606814840 /nfs/dbraw/zinc/81/48/40/606814840.db2.gz BKBZZOAFIFMXSL-MRXNPFEDSA-N -1 3 374.404 3.375 20 0 FGADHM CC[C@@H]1CCC[C@@H]1NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000820972708 606815692 /nfs/dbraw/zinc/81/56/92/606815692.db2.gz QZBPTRRIXYTMJA-PBHICJAKSA-N -1 3 357.458 3.111 20 0 FGADHM CC[C@@H]1CCC[C@@H]1NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000820972708 606815694 /nfs/dbraw/zinc/81/56/94/606815694.db2.gz QZBPTRRIXYTMJA-PBHICJAKSA-N -1 3 357.458 3.111 20 0 FGADHM O=C(Nc1ccsc1)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000823375921 606830924 /nfs/dbraw/zinc/83/09/24/606830924.db2.gz PNVKMOAQULFFAO-UHFFFAOYSA-N -1 3 370.438 3.004 20 0 FGADHM O=C(Nc1ccsc1)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000823375921 606830925 /nfs/dbraw/zinc/83/09/25/606830925.db2.gz PNVKMOAQULFFAO-UHFFFAOYSA-N -1 3 370.438 3.004 20 0 FGADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCC2)c1ccc(F)c(F)c1F ZINC000823387079 606842771 /nfs/dbraw/zinc/84/27/71/606842771.db2.gz CFYUXZPKDNZPQZ-UHFFFAOYSA-N -1 3 365.340 3.087 20 0 FGADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCC2)c1ccc(F)c(F)c1F ZINC000823387079 606842772 /nfs/dbraw/zinc/84/27/72/606842772.db2.gz CFYUXZPKDNZPQZ-UHFFFAOYSA-N -1 3 365.340 3.087 20 0 FGADHM C[C@H]1CCC[C@H](C)N1C(=O)CSc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820697531 606850962 /nfs/dbraw/zinc/85/09/62/606850962.db2.gz IISAYUNPDYJCQO-QWRGUYRKSA-N -1 3 365.890 3.402 20 0 FGADHM C[C@H]1CCC[C@H](C)N1C(=O)CSc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820697531 606850963 /nfs/dbraw/zinc/85/09/63/606850963.db2.gz IISAYUNPDYJCQO-QWRGUYRKSA-N -1 3 365.890 3.402 20 0 FGADHM CO[C@H](CNC(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccccc1Cl ZINC000821676628 606870277 /nfs/dbraw/zinc/87/02/77/606870277.db2.gz CIXQYPXIFOSNBK-OAHLLOKOSA-N -1 3 372.816 3.029 20 0 FGADHM CO[C@H](CNC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccccc1Cl ZINC000821676628 606870278 /nfs/dbraw/zinc/87/02/78/606870278.db2.gz CIXQYPXIFOSNBK-OAHLLOKOSA-N -1 3 372.816 3.029 20 0 FGADHM C[C@@H]1CC[C@H](C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)cc2)O1 ZINC000820675693 606871389 /nfs/dbraw/zinc/87/13/89/606871389.db2.gz KHIJKHVTZVPDHU-SJKOYZFVSA-N -1 3 365.393 3.165 20 0 FGADHM C[C@@H]1CC[C@H](C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)cc2)O1 ZINC000820675693 606871391 /nfs/dbraw/zinc/87/13/91/606871391.db2.gz KHIJKHVTZVPDHU-SJKOYZFVSA-N -1 3 365.393 3.165 20 0 FGADHM COc1cc(C(=O)N(CC(C)C)c2ccc(-c3nnn[n-]3)cc2)ccc1F ZINC000821703335 606872129 /nfs/dbraw/zinc/87/21/29/606872129.db2.gz ZQYJLXHSSUHHLS-UHFFFAOYSA-N -1 3 369.400 3.317 20 0 FGADHM COc1cc(C(=O)N(CC(C)C)c2ccc(-c3nn[n-]n3)cc2)ccc1F ZINC000821703335 606872131 /nfs/dbraw/zinc/87/21/31/606872131.db2.gz ZQYJLXHSSUHHLS-UHFFFAOYSA-N -1 3 369.400 3.317 20 0 FGADHM CC[C@H](S[C@@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000820939560 606874253 /nfs/dbraw/zinc/87/42/53/606874253.db2.gz WHLGJFDVPUVUPD-JKSUJKDBSA-N -1 3 353.451 3.278 20 0 FGADHM CC[C@H](S[C@@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000820939560 606874254 /nfs/dbraw/zinc/87/42/54/606874254.db2.gz WHLGJFDVPUVUPD-JKSUJKDBSA-N -1 3 353.451 3.278 20 0 FGADHM CCOc1ccc([C@H](C)Nc2nnc(CC)c(CC)c2-c2nnn[n-]2)cc1 ZINC000821417533 606918775 /nfs/dbraw/zinc/91/87/75/606918775.db2.gz NUMKRFLVEMUKLT-LBPRGKRZSA-N -1 3 367.457 3.353 20 0 FGADHM CCOc1ccc([C@H](C)Nc2nnc(CC)c(CC)c2-c2nn[n-]n2)cc1 ZINC000821417533 606918776 /nfs/dbraw/zinc/91/87/76/606918776.db2.gz NUMKRFLVEMUKLT-LBPRGKRZSA-N -1 3 367.457 3.353 20 0 FGADHM C[C@H](OC(=O)c1ccn(C2CCCC2)n1)c1cccc(-c2nnn[n-]2)c1 ZINC000820512167 606920766 /nfs/dbraw/zinc/92/07/66/606920766.db2.gz IAHGTAQAUNGQSA-LBPRGKRZSA-N -1 3 352.398 3.096 20 0 FGADHM C[C@H](OC(=O)c1ccn(C2CCCC2)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000820512167 606920768 /nfs/dbraw/zinc/92/07/68/606920768.db2.gz IAHGTAQAUNGQSA-LBPRGKRZSA-N -1 3 352.398 3.096 20 0 FGADHM O=C(OCc1cc(-c2nnn[n-]2)ccc1F)c1cccc(Cl)c1F ZINC000823414356 606925298 /nfs/dbraw/zinc/92/52/98/606925298.db2.gz VPYPHAOJQBXLHO-UHFFFAOYSA-N -1 3 350.712 3.155 20 0 FGADHM O=C(OCc1cc(-c2nn[n-]n2)ccc1F)c1cccc(Cl)c1F ZINC000823414356 606925300 /nfs/dbraw/zinc/92/53/00/606925300.db2.gz VPYPHAOJQBXLHO-UHFFFAOYSA-N -1 3 350.712 3.155 20 0 FGADHM CC(C)c1ccc(N(C)C(=O)CNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000820192475 606936200 /nfs/dbraw/zinc/93/62/00/606936200.db2.gz PKAGBICCMLPQMQ-UHFFFAOYSA-N -1 3 350.426 3.065 20 0 FGADHM FC(F)(F)c1ccc(N2CCOC3(CCCCC3)C2)c(-c2nnn[n-]2)c1 ZINC000822723693 606939092 /nfs/dbraw/zinc/93/90/92/606939092.db2.gz KYGJPRIQIHWNPE-UHFFFAOYSA-N -1 3 367.375 3.425 20 0 FGADHM FC(F)(F)c1ccc(N2CCOC3(CCCCC3)C2)c(-c2nn[n-]n2)c1 ZINC000822723693 606939093 /nfs/dbraw/zinc/93/90/93/606939093.db2.gz KYGJPRIQIHWNPE-UHFFFAOYSA-N -1 3 367.375 3.425 20 0 FGADHM CC(C)[C@H]1c2ccccc2CCN1C(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000820051504 606941085 /nfs/dbraw/zinc/94/10/85/606941085.db2.gz PONRDGQXPGTIKL-FQEVSTJZSA-N -1 3 361.449 3.191 20 0 FGADHM CC(C)[C@H]1c2ccccc2CCN1C(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000820051504 606941087 /nfs/dbraw/zinc/94/10/87/606941087.db2.gz PONRDGQXPGTIKL-FQEVSTJZSA-N -1 3 361.449 3.191 20 0 FGADHM O=C(OC/C(Cl)=C/Cl)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000823396690 606952084 /nfs/dbraw/zinc/95/20/84/606952084.db2.gz MFQQEHFTZPFKIG-DAXSKMNVSA-N -1 3 367.114 3.361 20 0 FGADHM O=C(OC/C(Cl)=C/Cl)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000823396690 606952085 /nfs/dbraw/zinc/95/20/85/606952085.db2.gz MFQQEHFTZPFKIG-DAXSKMNVSA-N -1 3 367.114 3.361 20 0 FGADHM Cc1sc(NC(=O)c2ccn(C3CCCC3)n2)c(-c2nnn[n-]2)c1C ZINC000822563477 606956239 /nfs/dbraw/zinc/95/62/39/606956239.db2.gz KOCKYHCXUZQWQA-UHFFFAOYSA-N -1 3 357.443 3.109 20 0 FGADHM Cc1sc(NC(=O)c2ccn(C3CCCC3)n2)c(-c2nn[n-]n2)c1C ZINC000822563477 606956241 /nfs/dbraw/zinc/95/62/41/606956241.db2.gz KOCKYHCXUZQWQA-UHFFFAOYSA-N -1 3 357.443 3.109 20 0 FGADHM CN(C(=O)c1ccc2ncsc2c1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821574718 606958847 /nfs/dbraw/zinc/95/88/47/606958847.db2.gz UEDRKYKJYOTZMR-UHFFFAOYSA-N -1 3 370.825 3.406 20 0 FGADHM CN(C(=O)c1ccc2ncsc2c1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821574718 606958849 /nfs/dbraw/zinc/95/88/49/606958849.db2.gz UEDRKYKJYOTZMR-UHFFFAOYSA-N -1 3 370.825 3.406 20 0 FGADHM C[C@@H]1CCCC[C@@H]1OCC(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000820703954 606962049 /nfs/dbraw/zinc/96/20/49/606962049.db2.gz KRMMZUYRHPVOTK-ABAIWWIYSA-N -1 3 363.849 3.078 20 0 FGADHM C[C@@H]1CCCC[C@@H]1OCC(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000820703954 606962051 /nfs/dbraw/zinc/96/20/51/606962051.db2.gz KRMMZUYRHPVOTK-ABAIWWIYSA-N -1 3 363.849 3.078 20 0 FGADHM C[C@@H](OCc1ccccc1)C(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000820518586 606962365 /nfs/dbraw/zinc/96/23/65/606962365.db2.gz HGSUNGIDMCLQHY-GFCCVEGCSA-N -1 3 371.828 3.088 20 0 FGADHM C[C@@H](OCc1ccccc1)C(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000820518586 606962367 /nfs/dbraw/zinc/96/23/67/606962367.db2.gz HGSUNGIDMCLQHY-GFCCVEGCSA-N -1 3 371.828 3.088 20 0 FGADHM CC(C)c1cccc(C(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)n1 ZINC000820192353 606964161 /nfs/dbraw/zinc/96/41/61/606964161.db2.gz KWNPRGQILLEQBK-UHFFFAOYSA-N -1 3 356.817 3.315 20 0 FGADHM CC(C)c1cccc(C(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)n1 ZINC000820192353 606964163 /nfs/dbraw/zinc/96/41/63/606964163.db2.gz KWNPRGQILLEQBK-UHFFFAOYSA-N -1 3 356.817 3.315 20 0 FGADHM CCC[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1F ZINC000821020658 606982117 /nfs/dbraw/zinc/98/21/17/606982117.db2.gz GGJRATAIBMGXFW-MRXNPFEDSA-N -1 3 357.364 3.416 20 0 FGADHM CCC[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1F ZINC000821020658 606982118 /nfs/dbraw/zinc/98/21/18/606982118.db2.gz GGJRATAIBMGXFW-MRXNPFEDSA-N -1 3 357.364 3.416 20 0 FGADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cnc2ccccc2c1 ZINC000820001405 606986471 /nfs/dbraw/zinc/98/64/71/606986471.db2.gz LDLZPICMYHLKIW-UHFFFAOYSA-N -1 3 374.404 3.211 20 0 FGADHM Cc1coc(-c2cccc(NC(=O)Cc3cccc(-c4nnn[n-]4)c3)c2)n1 ZINC000822403139 606989257 /nfs/dbraw/zinc/98/92/57/606989257.db2.gz LIMCHYZDMDPWQJ-UHFFFAOYSA-N -1 3 360.377 3.011 20 0 FGADHM Cc1coc(-c2cccc(NC(=O)Cc3cccc(-c4nn[n-]n4)c3)c2)n1 ZINC000822403139 606989259 /nfs/dbraw/zinc/98/92/59/606989259.db2.gz LIMCHYZDMDPWQJ-UHFFFAOYSA-N -1 3 360.377 3.011 20 0 FGADHM COc1ccccc1C(C)=CC(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000821883574 606998579 /nfs/dbraw/zinc/99/85/79/606998579.db2.gz XRWGNTAHRRJRQJ-FMIVXFBMSA-N -1 3 368.368 3.161 20 0 FGADHM COc1ccccc1C(C)=CC(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821883574 606998581 /nfs/dbraw/zinc/99/85/81/606998581.db2.gz XRWGNTAHRRJRQJ-FMIVXFBMSA-N -1 3 368.368 3.161 20 0 FGADHM Cc1ccc(C(C)(C)C(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000822227470 606998908 /nfs/dbraw/zinc/99/89/08/606998908.db2.gz JYGJVRMUTKHDFJ-UHFFFAOYSA-N -1 3 354.385 3.335 20 0 FGADHM Cc1ccc(C(C)(C)C(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000822227470 606998910 /nfs/dbraw/zinc/99/89/10/606998910.db2.gz JYGJVRMUTKHDFJ-UHFFFAOYSA-N -1 3 354.385 3.335 20 0 FGADHM Cc1cccc2[nH]cc(CC(=O)OCc3ccc(F)c(-c4nnn[n-]4)c3)c21 ZINC000822333132 606999312 /nfs/dbraw/zinc/99/93/12/606999312.db2.gz XYJJYENKZKMMRK-UHFFFAOYSA-N -1 3 365.368 3.081 20 0 FGADHM Cc1cccc2[nH]cc(CC(=O)OCc3ccc(F)c(-c4nn[n-]n4)c3)c21 ZINC000822333132 606999314 /nfs/dbraw/zinc/99/93/14/606999314.db2.gz XYJJYENKZKMMRK-UHFFFAOYSA-N -1 3 365.368 3.081 20 0 FGADHM COc1ccc2[nH]c(SCc3ccc(F)c(-c4nnn[n-]4)c3)nc2c1 ZINC000821854448 607005088 /nfs/dbraw/zinc/00/50/88/607005088.db2.gz JXXZDSYKGQERET-UHFFFAOYSA-N -1 3 356.386 3.183 20 0 FGADHM COc1ccc2[nH]c(SCc3ccc(F)c(-c4nn[n-]n4)c3)nc2c1 ZINC000821854448 607005090 /nfs/dbraw/zinc/00/50/90/607005090.db2.gz JXXZDSYKGQERET-UHFFFAOYSA-N -1 3 356.386 3.183 20 0 FGADHM CC(C)[C@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)N1CCCC[C@H]1C ZINC000820032756 607016146 /nfs/dbraw/zinc/01/61/46/607016146.db2.gz QDLLEQXHWLTTRU-CJNGLKHVSA-N -1 3 359.499 3.384 20 0 FGADHM CC(C)[C@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)N1CCCC[C@H]1C ZINC000820032756 607016147 /nfs/dbraw/zinc/01/61/47/607016147.db2.gz QDLLEQXHWLTTRU-CJNGLKHVSA-N -1 3 359.499 3.384 20 0 FGADHM COc1cccc2c(NCc3cc(-c4nn[n-]n4)ccc3F)cc(C)nc12 ZINC000821877484 607026450 /nfs/dbraw/zinc/02/64/50/607026450.db2.gz LCDPUBITERBVIF-UHFFFAOYSA-N -1 3 364.384 3.483 20 0 FGADHM COc1cccc([C@@H]2CN(c3cc(Cl)ccc3-c3nnn[n-]3)CCO2)c1 ZINC000821864129 607040163 /nfs/dbraw/zinc/04/01/63/607040163.db2.gz UDSHTKKTDPCXLC-KRWDZBQOSA-N -1 3 371.828 3.107 20 0 FGADHM COc1cccc([C@@H]2CN(c3cc(Cl)ccc3-c3nn[n-]n3)CCO2)c1 ZINC000821864129 607040164 /nfs/dbraw/zinc/04/01/64/607040164.db2.gz UDSHTKKTDPCXLC-KRWDZBQOSA-N -1 3 371.828 3.107 20 0 FGADHM CC1(C)C[C@H](NC(=O)c2cccc(-c3nnn[n-]3)c2)c2ccc(F)cc2O1 ZINC000820589088 607054285 /nfs/dbraw/zinc/05/42/85/607054285.db2.gz ACDVKNLKJMQHCB-HNNXBMFYSA-N -1 3 367.384 3.038 20 0 FGADHM CC1(C)C[C@H](NC(=O)c2cccc(-c3nn[n-]n3)c2)c2ccc(F)cc2O1 ZINC000820589088 607054287 /nfs/dbraw/zinc/05/42/87/607054287.db2.gz ACDVKNLKJMQHCB-HNNXBMFYSA-N -1 3 367.384 3.038 20 0 FGADHM CC1(C)C[C@H](NC(=O)c2ccc(-c3nnn[n-]3)cc2)c2ccc(F)cc2O1 ZINC000820589711 607054488 /nfs/dbraw/zinc/05/44/88/607054488.db2.gz LCZWXUWFBLDZNJ-HNNXBMFYSA-N -1 3 367.384 3.038 20 0 FGADHM CC1(C)C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)cc2)c2ccc(F)cc2O1 ZINC000820589711 607054489 /nfs/dbraw/zinc/05/44/89/607054489.db2.gz LCZWXUWFBLDZNJ-HNNXBMFYSA-N -1 3 367.384 3.038 20 0 FGADHM O=C(Nc1sc(-c2ccccc2)cc1-c1nnn[n-]1)c1cncc(F)c1 ZINC000823383287 607063432 /nfs/dbraw/zinc/06/34/32/607063432.db2.gz PAENOAZKZXWVGE-UHFFFAOYSA-N -1 3 366.381 3.382 20 0 FGADHM O=C(Nc1sc(-c2ccccc2)cc1-c1nn[n-]n1)c1cncc(F)c1 ZINC000823383287 607063433 /nfs/dbraw/zinc/06/34/33/607063433.db2.gz PAENOAZKZXWVGE-UHFFFAOYSA-N -1 3 366.381 3.382 20 0 FGADHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)C1(c2ccc(F)cc2)CCC1 ZINC000823413604 607076477 /nfs/dbraw/zinc/07/64/77/607076477.db2.gz KXUABIFDMUBGFR-UHFFFAOYSA-N -1 3 370.359 3.310 20 0 FGADHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)C1(c2ccc(F)cc2)CCC1 ZINC000823413604 607076478 /nfs/dbraw/zinc/07/64/78/607076478.db2.gz KXUABIFDMUBGFR-UHFFFAOYSA-N -1 3 370.359 3.310 20 0 FGADHM Cc1ccccc1C(C)(C)C(=O)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000822344895 607080889 /nfs/dbraw/zinc/08/08/89/607080889.db2.gz CPOZNBIMYCPNGW-UHFFFAOYSA-N -1 3 354.385 3.335 20 0 FGADHM Cc1ccccc1C(C)(C)C(=O)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000822344895 607080891 /nfs/dbraw/zinc/08/08/91/607080891.db2.gz CPOZNBIMYCPNGW-UHFFFAOYSA-N -1 3 354.385 3.335 20 0 FGADHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000823413214 607084280 /nfs/dbraw/zinc/08/42/80/607084280.db2.gz CLOHBOOTVSKEHV-ZIAGYGMSSA-N -1 3 374.322 3.131 20 0 FGADHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000823413214 607084283 /nfs/dbraw/zinc/08/42/83/607084283.db2.gz CLOHBOOTVSKEHV-ZIAGYGMSSA-N -1 3 374.322 3.131 20 0 FGADHM COc1ccc([C@H](C)CC(=O)OCc2cc(F)ccc2-c2nnn[n-]2)cc1 ZINC000821778293 607085514 /nfs/dbraw/zinc/08/55/14/607085514.db2.gz XTGXULJQUQXGPG-GFCCVEGCSA-N -1 3 370.384 3.251 20 0 FGADHM COc1ccc([C@H](C)CC(=O)OCc2cc(F)ccc2-c2nn[n-]n2)cc1 ZINC000821778293 607085515 /nfs/dbraw/zinc/08/55/15/607085515.db2.gz XTGXULJQUQXGPG-GFCCVEGCSA-N -1 3 370.384 3.251 20 0 FGADHM CC[C@H](Cc1ccccc1)N(CC)C(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000820913441 607087503 /nfs/dbraw/zinc/08/75/03/607087503.db2.gz FUKSKOMXSANNEK-LJQANCHMSA-N -1 3 363.465 3.279 20 0 FGADHM CC[C@H](Cc1ccccc1)N(CC)C(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000820913441 607087504 /nfs/dbraw/zinc/08/75/04/607087504.db2.gz FUKSKOMXSANNEK-LJQANCHMSA-N -1 3 363.465 3.279 20 0 FGADHM O=C(O[C@@H]1CCc2sc(Cl)cc21)c1cc(-c2nnn[n-]2)cs1 ZINC000823397223 607094149 /nfs/dbraw/zinc/09/41/49/607094149.db2.gz SZXKSQHOERJXQV-MRVPVSSYSA-N -1 3 352.828 3.487 20 0 FGADHM O=C(O[C@@H]1CCc2sc(Cl)cc21)c1cc(-c2nn[n-]n2)cs1 ZINC000823397223 607094151 /nfs/dbraw/zinc/09/41/51/607094151.db2.gz SZXKSQHOERJXQV-MRVPVSSYSA-N -1 3 352.828 3.487 20 0 FGADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)Cc1cccc2cccnc21 ZINC000821304784 607099833 /nfs/dbraw/zinc/09/98/33/607099833.db2.gz RBJPLXURDFSZAT-UHFFFAOYSA-N -1 3 373.420 3.028 20 0 FGADHM C[C@@]1(c2ccccc2)CN(c2c(-c3nnn[n-]3)cnc3ccccc32)CCO1 ZINC000820637471 607115797 /nfs/dbraw/zinc/11/57/97/607115797.db2.gz XQOFOPYRWVPUMS-NRFANRHFSA-N -1 3 372.432 3.167 20 0 FGADHM C[C@@]1(c2ccccc2)CN(c2c(-c3nn[n-]n3)cnc3ccccc32)CCO1 ZINC000820637471 607115798 /nfs/dbraw/zinc/11/57/98/607115798.db2.gz XQOFOPYRWVPUMS-NRFANRHFSA-N -1 3 372.432 3.167 20 0 FGADHM CC(C)c1nn(-c2ccccc2)cc1CNc1ccc(-c2nnn[n-]2)cn1 ZINC000820206628 607117066 /nfs/dbraw/zinc/11/70/66/607117066.db2.gz TXMZRKJKPHEACV-UHFFFAOYSA-N -1 3 360.425 3.183 20 0 FGADHM CC(C)c1nn(-c2ccccc2)cc1CNc1ccc(-c2nn[n-]n2)cn1 ZINC000820206628 607117068 /nfs/dbraw/zinc/11/70/68/607117068.db2.gz TXMZRKJKPHEACV-UHFFFAOYSA-N -1 3 360.425 3.183 20 0 FGADHM Clc1ccc2nc(CNc3ccc(-c4nn[n-]n4)cc3Cl)cn2c1 ZINC000822581691 607125064 /nfs/dbraw/zinc/12/50/64/607125064.db2.gz KQTRNXMXFWIOCL-UHFFFAOYSA-N -1 3 360.208 3.433 20 0 FGADHM Clc1cc(-c2nn[n-]n2)ccc1NCc1nnc(-c2ccccc2)o1 ZINC000822563735 607125316 /nfs/dbraw/zinc/12/53/16/607125316.db2.gz MIXWPMMIFKKZEW-UHFFFAOYSA-N -1 3 353.773 3.182 20 0 FGADHM Clc1ccccc1-n1ccc(NCc2ccccc2-c2nnn[n-]2)n1 ZINC000822586378 607125959 /nfs/dbraw/zinc/12/59/59/607125959.db2.gz WLQAQHBXTGWZRU-UHFFFAOYSA-N -1 3 351.801 3.318 20 0 FGADHM Clc1ccccc1-n1ccc(NCc2ccccc2-c2nn[n-]n2)n1 ZINC000822586378 607125961 /nfs/dbraw/zinc/12/59/61/607125961.db2.gz WLQAQHBXTGWZRU-UHFFFAOYSA-N -1 3 351.801 3.318 20 0 FGADHM Fc1ccc(OC(F)F)c(NCc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000822783172 607126420 /nfs/dbraw/zinc/12/64/20/607126420.db2.gz YGSCSGXOPWXSQC-UHFFFAOYSA-N -1 3 353.279 3.358 20 0 FGADHM Fc1ccc(OC(F)F)c(NCc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000822783172 607126421 /nfs/dbraw/zinc/12/64/21/607126421.db2.gz YGSCSGXOPWXSQC-UHFFFAOYSA-N -1 3 353.279 3.358 20 0 FGADHM Cc1ccc(NC(=O)[C@H](C)Oc2ccc(-c3nnn[n-]3)cc2F)c(C)c1 ZINC000822242562 607138474 /nfs/dbraw/zinc/13/84/74/607138474.db2.gz PIQMSUDYVYZGHD-LBPRGKRZSA-N -1 3 355.373 3.029 20 0 FGADHM Cc1ccc(NC(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2F)c(C)c1 ZINC000822242562 607138476 /nfs/dbraw/zinc/13/84/76/607138476.db2.gz PIQMSUDYVYZGHD-LBPRGKRZSA-N -1 3 355.373 3.029 20 0 FGADHM C[C@H](NC(=O)Nc1cccc(OCCF)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820379530 607139166 /nfs/dbraw/zinc/13/91/66/607139166.db2.gz CNNZDOKZFHWHIG-LBPRGKRZSA-N -1 3 370.388 3.098 20 0 FGADHM C[C@H](NC(=O)Nc1cccc(OCCF)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820379530 607139168 /nfs/dbraw/zinc/13/91/68/607139168.db2.gz CNNZDOKZFHWHIG-LBPRGKRZSA-N -1 3 370.388 3.098 20 0 FGADHM CCOc1ccc(C(C)=O)cc1COc1ccc(-c2nnn[n-]2)cc1F ZINC000821418079 607139662 /nfs/dbraw/zinc/13/96/62/607139662.db2.gz VQSQDDIKTKQPNU-UHFFFAOYSA-N -1 3 356.357 3.186 20 0 FGADHM CCOc1ccc(C(C)=O)cc1COc1ccc(-c2nn[n-]n2)cc1F ZINC000821418079 607139663 /nfs/dbraw/zinc/13/96/63/607139663.db2.gz VQSQDDIKTKQPNU-UHFFFAOYSA-N -1 3 356.357 3.186 20 0 FGADHM O=C(Cc1ccc(F)cc1Cl)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000823082657 607155762 /nfs/dbraw/zinc/15/57/62/607155762.db2.gz OMWBRFUWIAGUNX-UHFFFAOYSA-N -1 3 364.739 3.084 20 0 FGADHM O=C(Cc1ccc(F)cc1Cl)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000823082657 607155763 /nfs/dbraw/zinc/15/57/63/607155763.db2.gz OMWBRFUWIAGUNX-UHFFFAOYSA-N -1 3 364.739 3.084 20 0 FGADHM Cc1ccccc1[C@@H](C)OC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000822345581 607158607 /nfs/dbraw/zinc/15/86/07/607158607.db2.gz LDKITEFANXZQDQ-ZIAGYGMSSA-N -1 3 352.394 3.247 20 0 FGADHM O=C(c1ccc(-c2nnn[n-]2)cn1)N1CCC[C@@H]1CCC1CCCCC1 ZINC000823478787 607165802 /nfs/dbraw/zinc/16/58/02/607165802.db2.gz SKJBNEKEEJSOAF-MRXNPFEDSA-N -1 3 354.458 3.227 20 0 FGADHM O=C(c1ccc(-c2nn[n-]n2)cn1)N1CCC[C@@H]1CCC1CCCCC1 ZINC000823478787 607165803 /nfs/dbraw/zinc/16/58/03/607165803.db2.gz SKJBNEKEEJSOAF-MRXNPFEDSA-N -1 3 354.458 3.227 20 0 FGADHM CS[C@@H]1CCC[C@H](NC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC000821950517 607194910 /nfs/dbraw/zinc/19/49/10/607194910.db2.gz OJZPGDVNNYYWFF-WDEREUQCSA-N -1 3 366.878 3.316 20 0 FGADHM CS[C@@H]1CCC[C@H](NC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC000821950517 607194911 /nfs/dbraw/zinc/19/49/11/607194911.db2.gz OJZPGDVNNYYWFF-WDEREUQCSA-N -1 3 366.878 3.316 20 0 FGADHM Cc1cc([C@H]2CCCN2C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)on1 ZINC000822198813 607196688 /nfs/dbraw/zinc/19/66/88/607196688.db2.gz LAASHZFOAMECIN-CYBMUJFWSA-N -1 3 373.804 3.186 20 0 FGADHM Cc1cc([C@H]2CCCN2C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)on1 ZINC000822198813 607196689 /nfs/dbraw/zinc/19/66/89/607196689.db2.gz LAASHZFOAMECIN-CYBMUJFWSA-N -1 3 373.804 3.186 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N1CCC[C@@H]1c1ccco1 ZINC000823314122 607197809 /nfs/dbraw/zinc/19/78/09/607197809.db2.gz MFZPUBRQOVAOGX-CYBMUJFWSA-N -1 3 358.789 3.482 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N1CCC[C@@H]1c1ccco1 ZINC000823314122 607197810 /nfs/dbraw/zinc/19/78/10/607197810.db2.gz MFZPUBRQOVAOGX-CYBMUJFWSA-N -1 3 358.789 3.482 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N[C@H]1CCc2c1cccc2O ZINC000823318591 607197914 /nfs/dbraw/zinc/19/79/14/607197914.db2.gz FLKNCONMOWXHQS-ZDUSSCGKSA-N -1 3 370.800 3.035 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N[C@H]1CCc2c1cccc2O ZINC000823318591 607197915 /nfs/dbraw/zinc/19/79/15/607197915.db2.gz FLKNCONMOWXHQS-ZDUSSCGKSA-N -1 3 370.800 3.035 20 0 FGADHM C[C@@H](OC(=O)Cc1cc(F)c(F)cc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000820497944 607238879 /nfs/dbraw/zinc/23/88/79/607238879.db2.gz XDOSIOBFUPOMGY-SECBINFHSA-N -1 3 362.311 3.131 20 0 FGADHM C[C@@H](OC(=O)Cc1cc(F)c(F)cc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000820497944 607238880 /nfs/dbraw/zinc/23/88/80/607238880.db2.gz XDOSIOBFUPOMGY-SECBINFHSA-N -1 3 362.311 3.131 20 0 FGADHM COc1ccc(C)cc1CC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821782274 607240610 /nfs/dbraw/zinc/24/06/10/607240610.db2.gz CMKTXPZAISSOJZ-UHFFFAOYSA-N -1 3 357.801 3.018 20 0 FGADHM COc1ccc(C)cc1CC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821782274 607240611 /nfs/dbraw/zinc/24/06/11/607240611.db2.gz CMKTXPZAISSOJZ-UHFFFAOYSA-N -1 3 357.801 3.018 20 0 FGADHM Cc1ccccc1C1(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)CC1 ZINC000822352381 607242866 /nfs/dbraw/zinc/24/28/66/607242866.db2.gz YEXWJHNMRHLMBB-UHFFFAOYSA-N -1 3 353.813 3.499 20 0 FGADHM Cc1ccccc1C1(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000822352381 607242867 /nfs/dbraw/zinc/24/28/67/607242867.db2.gz YEXWJHNMRHLMBB-UHFFFAOYSA-N -1 3 353.813 3.499 20 0 FGADHM COc1cccc([C@H](C)CC(=O)Oc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000821860119 607246319 /nfs/dbraw/zinc/24/63/19/607246319.db2.gz XITVOORKCZYOTO-LLVKDONJSA-N -1 3 356.357 3.114 20 0 FGADHM COc1cccc([C@H](C)CC(=O)Oc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000821860119 607246320 /nfs/dbraw/zinc/24/63/20/607246320.db2.gz XITVOORKCZYOTO-LLVKDONJSA-N -1 3 356.357 3.114 20 0 FGADHM Cc1ccc(C)c(SCC(=O)Oc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000822231991 607247065 /nfs/dbraw/zinc/24/70/65/607247065.db2.gz PLASTKICUVAVIP-UHFFFAOYSA-N -1 3 358.398 3.320 20 0 FGADHM Cc1ccc(C)c(SCC(=O)Oc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000822231991 607247066 /nfs/dbraw/zinc/24/70/66/607247066.db2.gz PLASTKICUVAVIP-UHFFFAOYSA-N -1 3 358.398 3.320 20 0 FGADHM Cc1c(NC(=S)N[C@H]2CCc3ccccc3C2)cccc1-c1nnn[n-]1 ZINC000822115937 607251982 /nfs/dbraw/zinc/25/19/82/607251982.db2.gz JLJKVSVWJZYJFF-HNNXBMFYSA-N -1 3 364.478 3.019 20 0 FGADHM Cc1c(NC(=S)N[C@H]2CCc3ccccc3C2)cccc1-c1nn[n-]n1 ZINC000822115937 607251983 /nfs/dbraw/zinc/25/19/83/607251983.db2.gz JLJKVSVWJZYJFF-HNNXBMFYSA-N -1 3 364.478 3.019 20 0 FGADHM COCC[C@H](OC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000826154928 607780090 /nfs/dbraw/zinc/78/00/90/607780090.db2.gz AUYOMWLPRLHDOV-DXRVJIQQSA-N -1 3 364.405 3.201 20 0 FGADHM COCC[C@H](OC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000826154928 607780091 /nfs/dbraw/zinc/78/00/91/607780091.db2.gz AUYOMWLPRLHDOV-DXRVJIQQSA-N -1 3 364.405 3.201 20 0 FGADHM COCC[C@@H](OC(=O)CCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000826154932 607780460 /nfs/dbraw/zinc/78/04/60/607780460.db2.gz AVISGWDQJXDNMR-GOSISDBHSA-N -1 3 366.421 3.120 20 0 FGADHM COCC[C@@H](OC(=O)CCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000826154932 607780461 /nfs/dbraw/zinc/78/04/61/607780461.db2.gz AVISGWDQJXDNMR-GOSISDBHSA-N -1 3 366.421 3.120 20 0 FGADHM COc1cccc(OCCSCc2cc(-c3nnn[n-]3)ccc2F)c1 ZINC000826217465 607784821 /nfs/dbraw/zinc/78/48/21/607784821.db2.gz NOIRAHMEEKQNFJ-UHFFFAOYSA-N -1 3 360.414 3.327 20 0 FGADHM COc1cccc(OCCSCc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC000826217465 607784822 /nfs/dbraw/zinc/78/48/22/607784822.db2.gz NOIRAHMEEKQNFJ-UHFFFAOYSA-N -1 3 360.414 3.327 20 0 FGADHM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC000825154188 607787952 /nfs/dbraw/zinc/78/79/52/607787952.db2.gz MMTKGPHAVRMRPK-CPUCHLNUSA-N -1 3 357.458 3.203 20 0 FGADHM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC000825154188 607787953 /nfs/dbraw/zinc/78/79/53/607787953.db2.gz MMTKGPHAVRMRPK-CPUCHLNUSA-N -1 3 357.458 3.203 20 0 FGADHM C[C@@H](CC(=O)N(C)c1ccccc1-c1nnn[n-]1)c1ccc(F)cc1F ZINC000824384342 607788771 /nfs/dbraw/zinc/78/87/71/607788771.db2.gz AOIJZYRTHZTYMG-NSHDSACASA-N -1 3 357.364 3.302 20 0 FGADHM C[C@@H](CC(=O)N(C)c1ccccc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC000824384342 607788772 /nfs/dbraw/zinc/78/87/72/607788772.db2.gz AOIJZYRTHZTYMG-NSHDSACASA-N -1 3 357.364 3.302 20 0 FGADHM CN(C(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1)c1ccccc1-c1nnn[n-]1 ZINC000825812877 607789915 /nfs/dbraw/zinc/78/99/15/607789915.db2.gz WPHLSMNRAROADW-CABCVRRESA-N -1 3 353.813 3.287 20 0 FGADHM CN(C(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1)c1ccccc1-c1nn[n-]n1 ZINC000825812877 607789916 /nfs/dbraw/zinc/78/99/16/607789916.db2.gz WPHLSMNRAROADW-CABCVRRESA-N -1 3 353.813 3.287 20 0 FGADHM CN(C(=O)COc1ccc(C(C)(C)C)cc1)c1ccccc1-c1nnn[n-]1 ZINC000825817693 607789967 /nfs/dbraw/zinc/78/99/67/607789967.db2.gz MZECQCKVOKDCRW-UHFFFAOYSA-N -1 3 365.437 3.206 20 0 FGADHM CN(C(=O)COc1ccc(C(C)(C)C)cc1)c1ccccc1-c1nn[n-]n1 ZINC000825817693 607789968 /nfs/dbraw/zinc/78/99/68/607789968.db2.gz MZECQCKVOKDCRW-UHFFFAOYSA-N -1 3 365.437 3.206 20 0 FGADHM Cc1ccc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CC[C@@H](C)C3)nc1 ZINC000826282601 607793274 /nfs/dbraw/zinc/79/32/74/607793274.db2.gz WOWJTBHKPHYPBS-SECBINFHSA-N -1 3 354.439 3.009 20 0 FGADHM Cc1ccc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CC[C@@H](C)C3)nc1 ZINC000826282601 607793275 /nfs/dbraw/zinc/79/32/75/607793275.db2.gz WOWJTBHKPHYPBS-SECBINFHSA-N -1 3 354.439 3.009 20 0 FGADHM CCN(C(=O)C[C@@H](C)c1ccc(OC)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367200 607797991 /nfs/dbraw/zinc/79/79/91/607797991.db2.gz KVSPKVLOTLSKCW-CQSZACIVSA-N -1 3 365.437 3.422 20 0 FGADHM CCN(C(=O)C[C@@H](C)c1ccc(OC)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367200 607797992 /nfs/dbraw/zinc/79/79/92/607797992.db2.gz KVSPKVLOTLSKCW-CQSZACIVSA-N -1 3 365.437 3.422 20 0 FGADHM CCN(C(=O)COc1cc(C)ccc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000825371810 607798857 /nfs/dbraw/zinc/79/88/57/607798857.db2.gz MJMJXSDHXCEDST-UHFFFAOYSA-N -1 3 371.828 3.260 20 0 FGADHM CCN(C(=O)COc1cc(C)ccc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000825371810 607798858 /nfs/dbraw/zinc/79/88/58/607798858.db2.gz MJMJXSDHXCEDST-UHFFFAOYSA-N -1 3 371.828 3.260 20 0 FGADHM CC1(c2ccccc2)CCN(C(=O)Nc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000824843596 607803024 /nfs/dbraw/zinc/80/30/24/607803024.db2.gz HIRKNLIRIBKWKB-UHFFFAOYSA-N -1 3 362.437 3.452 20 0 FGADHM CC1(c2ccccc2)CCN(C(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000824843596 607803025 /nfs/dbraw/zinc/80/30/25/607803025.db2.gz HIRKNLIRIBKWKB-UHFFFAOYSA-N -1 3 362.437 3.452 20 0 FGADHM O=C(NCCC1=CCCC1)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000826436562 607807376 /nfs/dbraw/zinc/80/73/76/607807376.db2.gz YOPGFGSTDPGXOW-UHFFFAOYSA-N -1 3 352.442 3.041 20 0 FGADHM O=C(NCCC1=CCCC1)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000826436562 607807377 /nfs/dbraw/zinc/80/73/77/607807377.db2.gz YOPGFGSTDPGXOW-UHFFFAOYSA-N -1 3 352.442 3.041 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@H](C)Cc1ccccc1Cl ZINC000826174281 607813947 /nfs/dbraw/zinc/81/39/47/607813947.db2.gz QHVSOYQAICOSQO-LLVKDONJSA-N -1 3 372.812 3.313 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@H](C)Cc1ccccc1Cl ZINC000826174281 607813948 /nfs/dbraw/zinc/81/39/48/607813948.db2.gz QHVSOYQAICOSQO-LLVKDONJSA-N -1 3 372.812 3.313 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C[C@H](C)c1c(C)noc1C ZINC000825620373 607816756 /nfs/dbraw/zinc/81/67/56/607816756.db2.gz ALNLIBGJCPLQEG-JTQLQIEISA-N -1 3 370.413 3.003 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C[C@H](C)c1c(C)noc1C ZINC000825620373 607816757 /nfs/dbraw/zinc/81/67/57/607816757.db2.gz ALNLIBGJCPLQEG-JTQLQIEISA-N -1 3 370.413 3.003 20 0 FGADHM CCN(C(=O)[C@@H](OC)c1ccccc1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367926 607834060 /nfs/dbraw/zinc/83/40/60/607834060.db2.gz XRJSAFBCAOIZHM-KDOFPFPSSA-N -1 3 365.437 3.164 20 0 FGADHM CCN(C(=O)[C@@H](OC)c1ccccc1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367926 607834061 /nfs/dbraw/zinc/83/40/61/607834061.db2.gz XRJSAFBCAOIZHM-KDOFPFPSSA-N -1 3 365.437 3.164 20 0 FGADHM COCC[C@H](C)OC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826154836 607837096 /nfs/dbraw/zinc/83/70/96/607837096.db2.gz YQQRJMGQWORJGC-ZDUSSCGKSA-N -1 3 368.393 3.241 20 0 FGADHM COCC[C@H](C)OC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826154836 607837097 /nfs/dbraw/zinc/83/70/97/607837097.db2.gz YQQRJMGQWORJGC-ZDUSSCGKSA-N -1 3 368.393 3.241 20 0 FGADHM c1cn(-c2ccc(CNc3ccc4cc(-c5nn[n-]n5)ccc4n3)cc2)cn1 ZINC000826525041 607842408 /nfs/dbraw/zinc/84/24/08/607842408.db2.gz UCMQLVIZZDKLAG-UHFFFAOYSA-N -1 3 368.404 3.213 20 0 FGADHM Cc1cnc(CCN(C)c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)s1 ZINC000826318569 607849556 /nfs/dbraw/zinc/84/95/56/607849556.db2.gz PJGKKHXQERQGCN-UHFFFAOYSA-N -1 3 368.388 3.329 20 0 FGADHM Cc1cnc(CCN(C)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)s1 ZINC000826318569 607849557 /nfs/dbraw/zinc/84/95/57/607849557.db2.gz PJGKKHXQERQGCN-UHFFFAOYSA-N -1 3 368.388 3.329 20 0 FGADHM CCC(=O)c1cc(Cl)ccc1OC[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825033932 607871542 /nfs/dbraw/zinc/87/15/42/607871542.db2.gz AEOCGCAMGLYBRL-INIZCTEOSA-N -1 3 372.812 3.225 20 0 FGADHM CCC(=O)c1cc(Cl)ccc1OC[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825033932 607871543 /nfs/dbraw/zinc/87/15/43/607871543.db2.gz AEOCGCAMGLYBRL-INIZCTEOSA-N -1 3 372.812 3.225 20 0 FGADHM CCN(C(=O)c1ccc(Cl)nc1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825385896 607878345 /nfs/dbraw/zinc/87/83/45/607878345.db2.gz UXEKLRWLKFDSLF-UHFFFAOYSA-N -1 3 363.208 3.235 20 0 FGADHM CCN(C(=O)c1ccc(Cl)nc1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825385896 607878346 /nfs/dbraw/zinc/87/83/46/607878346.db2.gz UXEKLRWLKFDSLF-UHFFFAOYSA-N -1 3 363.208 3.235 20 0 FGADHM CC(C)[C@H](C(=O)OCc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC000824184083 607917750 /nfs/dbraw/zinc/91/77/50/607917750.db2.gz DVEOQYBRYGCTMT-KRWDZBQOSA-N -1 3 354.385 3.489 20 0 FGADHM CC(C)[C@H](C(=O)OCc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC000824184083 607917751 /nfs/dbraw/zinc/91/77/51/607917751.db2.gz DVEOQYBRYGCTMT-KRWDZBQOSA-N -1 3 354.385 3.489 20 0 FGADHM O=C(C[C@@H]1CCCc2ccccc21)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826405238 607946649 /nfs/dbraw/zinc/94/66/49/607946649.db2.gz ZPMGWBFSXVZZBW-INIZCTEOSA-N -1 3 359.433 3.266 20 0 FGADHM O=C(C[C@@H]1CCCc2ccccc21)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826405238 607946650 /nfs/dbraw/zinc/94/66/50/607946650.db2.gz ZPMGWBFSXVZZBW-INIZCTEOSA-N -1 3 359.433 3.266 20 0 FGADHM CC(C)[C@H](Cc1ccccc1)C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000824193086 607954710 /nfs/dbraw/zinc/95/47/10/607954710.db2.gz RYUNGESMBUUYDD-SFHVURJKSA-N -1 3 361.449 3.271 20 0 FGADHM CC(C)[C@H](Cc1ccccc1)C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000824193086 607954711 /nfs/dbraw/zinc/95/47/11/607954711.db2.gz RYUNGESMBUUYDD-SFHVURJKSA-N -1 3 361.449 3.271 20 0 FGADHM CCc1c(NC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)cnn1CC(C)C ZINC000825694111 607960932 /nfs/dbraw/zinc/96/09/32/607960932.db2.gz KKLQKHJLPYQITE-UHFFFAOYSA-N -1 3 372.408 3.065 20 0 FGADHM CCc1c(NC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)cnn1CC(C)C ZINC000825694111 607960933 /nfs/dbraw/zinc/96/09/33/607960933.db2.gz KKLQKHJLPYQITE-UHFFFAOYSA-N -1 3 372.408 3.065 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1nc(Cl)ccc1F ZINC000825318842 607970398 /nfs/dbraw/zinc/97/03/98/607970398.db2.gz SLRQZMVJXLEIGM-UHFFFAOYSA-N -1 3 374.807 3.107 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1nc(Cl)ccc1F ZINC000825318842 607970399 /nfs/dbraw/zinc/97/03/99/607970399.db2.gz SLRQZMVJXLEIGM-UHFFFAOYSA-N -1 3 374.807 3.107 20 0 FGADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1F)c1cc(C2CCCCC2)[nH]n1 ZINC000826464931 607979892 /nfs/dbraw/zinc/97/98/92/607979892.db2.gz RYBUPMMHJWIQGJ-UHFFFAOYSA-N -1 3 370.388 3.134 20 0 FGADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1F)c1cc(C2CCCCC2)[nH]n1 ZINC000826464931 607979893 /nfs/dbraw/zinc/97/98/93/607979893.db2.gz RYBUPMMHJWIQGJ-UHFFFAOYSA-N -1 3 370.388 3.134 20 0 FGADHM O[C@H](COc1ccc(-c2nnn[n-]2)cc1F)c1ccc(Cl)cc1Cl ZINC000826504600 607982597 /nfs/dbraw/zinc/98/25/97/607982597.db2.gz ZLUOFRJPKONFEA-CYBMUJFWSA-N -1 3 369.183 3.425 20 0 FGADHM O[C@H](COc1ccc(-c2nn[n-]n2)cc1F)c1ccc(Cl)cc1Cl ZINC000826504600 607982598 /nfs/dbraw/zinc/98/25/98/607982598.db2.gz ZLUOFRJPKONFEA-CYBMUJFWSA-N -1 3 369.183 3.425 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cccc(-c2ccoc2)c1 ZINC000826186563 608025883 /nfs/dbraw/zinc/02/58/83/608025883.db2.gz ZHKZZXKSERPCOB-UHFFFAOYSA-N -1 3 361.361 3.388 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cccc(-c2ccoc2)c1 ZINC000826186563 608025884 /nfs/dbraw/zinc/02/58/84/608025884.db2.gz ZHKZZXKSERPCOB-UHFFFAOYSA-N -1 3 361.361 3.388 20 0 FGADHM COc1ccccc1[C@@H](NCc1cccc(-c2nnn[n-]2)c1)c1ccccn1 ZINC000826218635 608027455 /nfs/dbraw/zinc/02/74/55/608027455.db2.gz HTPLVIYNFYGABF-HXUWFJFHSA-N -1 3 372.432 3.150 20 0 FGADHM COc1ccccc1[C@@H](NCc1cccc(-c2nn[n-]n2)c1)c1ccccn1 ZINC000826218635 608027456 /nfs/dbraw/zinc/02/74/56/608027456.db2.gz HTPLVIYNFYGABF-HXUWFJFHSA-N -1 3 372.432 3.150 20 0 FGADHM CC(C)[C@@H](O)C(C)(C)CNc1ccc(-c2nn[n-]n2)cc1Br ZINC000824201217 608051260 /nfs/dbraw/zinc/05/12/60/608051260.db2.gz YVQUGGCADQMSRZ-CYBMUJFWSA-N -1 3 368.279 3.084 20 0 FGADHM Cc1cc(C)c(-c2nnn[n-]2)c(SCc2cc(F)cc3c2OCOC3)n1 ZINC000826262957 608057553 /nfs/dbraw/zinc/05/75/53/608057553.db2.gz FLQLBHIQNQMQMM-UHFFFAOYSA-N -1 3 373.413 3.176 20 0 FGADHM Cc1cc(C)c(-c2nn[n-]n2)c(SCc2cc(F)cc3c2OCOC3)n1 ZINC000826262957 608057554 /nfs/dbraw/zinc/05/75/54/608057554.db2.gz FLQLBHIQNQMQMM-UHFFFAOYSA-N -1 3 373.413 3.176 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cccc([C@H]2CCOC2)c1 ZINC000826452035 608059419 /nfs/dbraw/zinc/05/94/19/608059419.db2.gz FXKKFDHBHSIFBG-ZDUSSCGKSA-N -1 3 369.812 3.276 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cccc([C@H]2CCOC2)c1 ZINC000826452035 608059420 /nfs/dbraw/zinc/05/94/20/608059420.db2.gz FXKKFDHBHSIFBG-ZDUSSCGKSA-N -1 3 369.812 3.276 20 0 FGADHM O=C(CCCc1cc(F)ccc1F)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000826406934 608059824 /nfs/dbraw/zinc/05/98/24/608059824.db2.gz TWDKIPPUTLDYOL-UHFFFAOYSA-N -1 3 358.348 3.211 20 0 FGADHM O=C(CCCc1cc(F)ccc1F)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000826406934 608059825 /nfs/dbraw/zinc/05/98/25/608059825.db2.gz TWDKIPPUTLDYOL-UHFFFAOYSA-N -1 3 358.348 3.211 20 0 FGADHM CCC(CC)[C@H](C)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000825097119 608062141 /nfs/dbraw/zinc/06/21/41/608062141.db2.gz UBTSYHHRUSEOJP-VIFPVBQESA-N -1 3 353.373 3.479 20 0 FGADHM CCC(CC)[C@H](C)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000825097119 608062142 /nfs/dbraw/zinc/06/21/42/608062142.db2.gz UBTSYHHRUSEOJP-VIFPVBQESA-N -1 3 353.373 3.479 20 0 FGADHM CCc1c(C)sc(NC(=O)c2cccc(OC)c2F)c1-c1nnn[n-]1 ZINC000825688258 608062701 /nfs/dbraw/zinc/06/27/01/608062701.db2.gz VPUPAEXHOAGCIZ-UHFFFAOYSA-N -1 3 361.402 3.199 20 0 FGADHM CCc1c(C)sc(NC(=O)c2cccc(OC)c2F)c1-c1nn[n-]n1 ZINC000825688258 608062702 /nfs/dbraw/zinc/06/27/02/608062702.db2.gz VPUPAEXHOAGCIZ-UHFFFAOYSA-N -1 3 361.402 3.199 20 0 FGADHM C[C@@H](NC(=O)N(CC(F)F)CC1CCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000824490478 608064197 /nfs/dbraw/zinc/06/41/97/608064197.db2.gz QBNKAFZQSKEGGH-LLVKDONJSA-N -1 3 364.400 3.005 20 0 FGADHM C[C@@H](NC(=O)N(CC(F)F)CC1CCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000824490478 608064198 /nfs/dbraw/zinc/06/41/98/608064198.db2.gz QBNKAFZQSKEGGH-LLVKDONJSA-N -1 3 364.400 3.005 20 0 FGADHM FC(F)CN(CCCOc1ccc(-c2nn[n-]n2)cc1)CC1CCC1 ZINC000826369488 608065009 /nfs/dbraw/zinc/06/50/09/608065009.db2.gz FOULUXFTXOLSLG-UHFFFAOYSA-N -1 3 351.401 3.003 20 0 FGADHM CCCC[C@H](CC)CC(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000825259269 608081581 /nfs/dbraw/zinc/08/15/81/608081581.db2.gz HYUHFENQDLNAOI-MAUKXSAKSA-N -1 3 371.485 3.373 20 0 FGADHM CCCC[C@H](CC)CC(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000825259269 608081582 /nfs/dbraw/zinc/08/15/82/608081582.db2.gz HYUHFENQDLNAOI-MAUKXSAKSA-N -1 3 371.485 3.373 20 0 FGADHM CC[C@H](C)n1ncc(NC(=O)Cc2cccc(-c3nnn[n-]3)c2)c1C1CC1 ZINC000825081425 608102484 /nfs/dbraw/zinc/10/24/84/608102484.db2.gz IWARVNINNPWACU-LBPRGKRZSA-N -1 3 365.441 3.093 20 0 FGADHM CC[C@H](C)n1ncc(NC(=O)Cc2cccc(-c3nn[n-]n3)c2)c1C1CC1 ZINC000825081425 608102485 /nfs/dbraw/zinc/10/24/85/608102485.db2.gz IWARVNINNPWACU-LBPRGKRZSA-N -1 3 365.441 3.093 20 0 FGADHM O=C1[C@H](Sc2cccc(-c3nnn[n-]3)c2)CCCN1c1ccccc1F ZINC000826477811 608111399 /nfs/dbraw/zinc/11/13/99/608111399.db2.gz MFLYWSGZIYUNPW-MRXNPFEDSA-N -1 3 369.425 3.294 20 0 FGADHM O=C1[C@H](Sc2cccc(-c3nn[n-]n3)c2)CCCN1c1ccccc1F ZINC000826477811 608111400 /nfs/dbraw/zinc/11/14/00/608111400.db2.gz MFLYWSGZIYUNPW-MRXNPFEDSA-N -1 3 369.425 3.294 20 0 FGADHM CCC[C@H](C(=O)NCCSCc1ccccc1-c1nnn[n-]1)C(C)C ZINC000825224708 608111584 /nfs/dbraw/zinc/11/15/84/608111584.db2.gz BUCVWKZSDAQRCG-HNNXBMFYSA-N -1 3 361.515 3.288 20 0 FGADHM CCC[C@H](C(=O)NCCSCc1ccccc1-c1nn[n-]n1)C(C)C ZINC000825224708 608111585 /nfs/dbraw/zinc/11/15/85/608111585.db2.gz BUCVWKZSDAQRCG-HNNXBMFYSA-N -1 3 361.515 3.288 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cc(C(C)C)on1 ZINC000825317966 608119929 /nfs/dbraw/zinc/11/99/29/608119929.db2.gz FHWREFJDDGFEFS-UHFFFAOYSA-N -1 3 354.414 3.031 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cc(C(C)C)on1 ZINC000825317966 608119930 /nfs/dbraw/zinc/11/99/30/608119930.db2.gz FHWREFJDDGFEFS-UHFFFAOYSA-N -1 3 354.414 3.031 20 0 FGADHM C[C@@H](NC(=O)N1CC[C@H](C)C2(CCC2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824487936 608161457 /nfs/dbraw/zinc/16/14/57/608161457.db2.gz CZZRRCOEUMTKSN-UONOGXRCSA-N -1 3 354.458 3.149 20 0 FGADHM C[C@@H](NC(=O)N1CC[C@H](C)C2(CCC2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824487936 608161458 /nfs/dbraw/zinc/16/14/58/608161458.db2.gz CZZRRCOEUMTKSN-UONOGXRCSA-N -1 3 354.458 3.149 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cnn(C(C)C)c1C ZINC000825332308 608161473 /nfs/dbraw/zinc/16/14/73/608161473.db2.gz GSZJSBQQXUYHOI-UHFFFAOYSA-N -1 3 368.445 3.027 20 0 FGADHM CCN(C(=O)c1cccn1C(C)C)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825385286 608166647 /nfs/dbraw/zinc/16/66/47/608166647.db2.gz BGZVJNKLNMPNNG-AWEZNQCLSA-N -1 3 352.442 3.472 20 0 FGADHM CCN(C(=O)c1cccn1C(C)C)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825385286 608166648 /nfs/dbraw/zinc/16/66/48/608166648.db2.gz BGZVJNKLNMPNNG-AWEZNQCLSA-N -1 3 352.442 3.472 20 0 FGADHM C[C@H](OC(=O)C1(c2ccc(F)cc2)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000824713621 608181802 /nfs/dbraw/zinc/18/18/02/608181802.db2.gz JFADRWANIMALLM-LBPRGKRZSA-N -1 3 352.369 3.342 20 0 FGADHM C[C@H](OC(=O)C1(c2ccc(F)cc2)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000824713621 608181804 /nfs/dbraw/zinc/18/18/04/608181804.db2.gz JFADRWANIMALLM-LBPRGKRZSA-N -1 3 352.369 3.342 20 0 FGADHM C[C@H]1C[C@H](C)CN(C(=O)CSc2cccc(Cl)c2-c2nnn[n-]2)C1 ZINC000824874017 608205669 /nfs/dbraw/zinc/20/56/69/608205669.db2.gz AXMBHAUDNWPUEI-QWRGUYRKSA-N -1 3 365.890 3.117 20 0 FGADHM C[C@H]1C[C@H](C)CN(C(=O)CSc2cccc(Cl)c2-c2nn[n-]n2)C1 ZINC000824874017 608205670 /nfs/dbraw/zinc/20/56/70/608205670.db2.gz AXMBHAUDNWPUEI-QWRGUYRKSA-N -1 3 365.890 3.117 20 0 FGADHM C[C@@H](NC(=O)C=Cc1ccc2[nH]ccc2c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824479419 608228211 /nfs/dbraw/zinc/22/82/11/608228211.db2.gz NEJQRMJVNZNKCN-XOUYHXJHSA-N -1 3 358.405 3.239 20 0 FGADHM C[C@@H](NC(=O)C=Cc1ccc2[nH]ccc2c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824479419 608228213 /nfs/dbraw/zinc/22/82/13/608228213.db2.gz NEJQRMJVNZNKCN-XOUYHXJHSA-N -1 3 358.405 3.239 20 0 FGADHM C[C@@]1(c2ccccc2)CN(c2ccc3cc(-c4nnn[n-]4)ccc3n2)CCO1 ZINC000824844093 608233229 /nfs/dbraw/zinc/23/32/29/608233229.db2.gz PEYHGNJWAMBCAH-NRFANRHFSA-N -1 3 372.432 3.167 20 0 FGADHM C[C@@]1(c2ccccc2)CN(c2ccc3cc(-c4nn[n-]n4)ccc3n2)CCO1 ZINC000824844093 608233230 /nfs/dbraw/zinc/23/32/30/608233230.db2.gz PEYHGNJWAMBCAH-NRFANRHFSA-N -1 3 372.432 3.167 20 0 FGADHM C[C@H](C[C@H](O)c1cccs1)Nc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000824392483 608234468 /nfs/dbraw/zinc/23/44/68/608234468.db2.gz OOYMOIVSUAFXMC-ABAIWWIYSA-N -1 3 366.450 3.401 20 0 FGADHM C[C@H](C[C@H](O)c1cccs1)Nc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000824392483 608234470 /nfs/dbraw/zinc/23/44/70/608234470.db2.gz OOYMOIVSUAFXMC-ABAIWWIYSA-N -1 3 366.450 3.401 20 0 FGADHM C[C@@H](CC(=O)Nc1ccc(-c2nnn[n-]2)cn1)Cc1ccc(Cl)cc1 ZINC000824385622 608259772 /nfs/dbraw/zinc/25/97/72/608259772.db2.gz XWCGKZKLSZKMCO-LLVKDONJSA-N -1 3 356.817 3.123 20 0 FGADHM C[C@@H](CC(=O)Nc1ccc(-c2nn[n-]n2)cn1)Cc1ccc(Cl)cc1 ZINC000824385622 608259774 /nfs/dbraw/zinc/25/97/74/608259774.db2.gz XWCGKZKLSZKMCO-LLVKDONJSA-N -1 3 356.817 3.123 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1CSc1ccc2c(c1)OCCCO2 ZINC000826173754 608261215 /nfs/dbraw/zinc/26/12/15/608261215.db2.gz STIROHNYRFRENT-UHFFFAOYSA-N -1 3 370.434 3.329 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1CSc1ccc2c(c1)OCCCO2 ZINC000826173754 608261216 /nfs/dbraw/zinc/26/12/16/608261216.db2.gz STIROHNYRFRENT-UHFFFAOYSA-N -1 3 370.434 3.329 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)c(NCc2ccnc(Oc3ccccc3)c2)n1 ZINC000826277544 608274902 /nfs/dbraw/zinc/27/49/02/608274902.db2.gz XPSRIKVARMQNFO-UHFFFAOYSA-N -1 3 359.393 3.370 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)c(NCc2ccnc(Oc3ccccc3)c2)n1 ZINC000826277544 608274903 /nfs/dbraw/zinc/27/49/03/608274903.db2.gz XPSRIKVARMQNFO-UHFFFAOYSA-N -1 3 359.393 3.370 20 0 FGADHM CC(C)CCOC1CCN(c2nc3c(cc2-c2nnn[n-]2)CCCC3)CC1 ZINC000824249886 608275594 /nfs/dbraw/zinc/27/55/94/608275594.db2.gz WKWHNATVTQEGQX-UHFFFAOYSA-N -1 3 370.501 3.172 20 0 FGADHM CC(C)CCOC1CCN(c2nc3c(cc2-c2nn[n-]n2)CCCC3)CC1 ZINC000824249886 608275595 /nfs/dbraw/zinc/27/55/95/608275595.db2.gz WKWHNATVTQEGQX-UHFFFAOYSA-N -1 3 370.501 3.172 20 0 FGADHM COCc1cc(CNc2nc3c(cc2-c2nnn[n-]2)CCCC3)ccc1F ZINC000826164341 608286734 /nfs/dbraw/zinc/28/67/34/608286734.db2.gz SNBDCGHMMSARAE-UHFFFAOYSA-N -1 3 368.416 3.038 20 0 FGADHM COCc1cc(CNc2nc3c(cc2-c2nn[n-]n2)CCCC3)ccc1F ZINC000826164341 608286735 /nfs/dbraw/zinc/28/67/35/608286735.db2.gz SNBDCGHMMSARAE-UHFFFAOYSA-N -1 3 368.416 3.038 20 0 FGADHM CC[C@H](C)NC(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000825068033 608291175 /nfs/dbraw/zinc/29/11/75/608291175.db2.gz OSDBUHPFSHPIKB-ZDUSSCGKSA-N -1 3 350.426 3.131 20 0 FGADHM CC[C@H](C)NC(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000825068033 608291176 /nfs/dbraw/zinc/29/11/76/608291176.db2.gz OSDBUHPFSHPIKB-ZDUSSCGKSA-N -1 3 350.426 3.131 20 0 FGADHM O=C(NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)NC1CCCC1 ZINC000826441225 608301824 /nfs/dbraw/zinc/30/18/24/608301824.db2.gz UVZNTJYMKDQFQQ-UHFFFAOYSA-N -1 3 362.437 3.276 20 0 FGADHM O=C(NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)NC1CCCC1 ZINC000826441225 608301826 /nfs/dbraw/zinc/30/18/26/608301826.db2.gz UVZNTJYMKDQFQQ-UHFFFAOYSA-N -1 3 362.437 3.276 20 0 FGADHM C[C@@H]1CCC[C@@H](OCCCCCC(=O)Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC000824925523 608305106 /nfs/dbraw/zinc/30/51/06/608305106.db2.gz DRDZHLFMNXDUQR-GDBMZVCRSA-N -1 3 372.473 3.356 20 0 FGADHM C[C@@H]1CCC[C@@H](OCCCCCC(=O)Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC000824925523 608305108 /nfs/dbraw/zinc/30/51/08/608305108.db2.gz DRDZHLFMNXDUQR-GDBMZVCRSA-N -1 3 372.473 3.356 20 0 FGADHM O=C(Nc1ccc(COc2ccccc2)cc1)c1ccc(-c2nnn[n-]2)cn1 ZINC000826453529 608309310 /nfs/dbraw/zinc/30/93/10/608309310.db2.gz OBSSQIXDYCZMTO-UHFFFAOYSA-N -1 3 372.388 3.093 20 0 FGADHM O=C(Nc1ccc(COc2ccccc2)cc1)c1ccc(-c2nn[n-]n2)cn1 ZINC000826453529 608309313 /nfs/dbraw/zinc/30/93/13/608309313.db2.gz OBSSQIXDYCZMTO-UHFFFAOYSA-N -1 3 372.388 3.093 20 0 FGADHM C=Cc1cc(OC)c(OCc2ccc(-c3nnn[n-]3)cc2OC)c(OC)c1 ZINC000823937277 608325089 /nfs/dbraw/zinc/32/50/89/608325089.db2.gz PTERBYKFVKFRNE-UHFFFAOYSA-N -1 3 368.393 3.115 20 0 FGADHM C=Cc1cc(OC)c(OCc2ccc(-c3nn[n-]n3)cc2OC)c(OC)c1 ZINC000823937277 608325091 /nfs/dbraw/zinc/32/50/91/608325091.db2.gz PTERBYKFVKFRNE-UHFFFAOYSA-N -1 3 368.393 3.115 20 0 FGADHM Cc1nc(C)c(C(=O)NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)o1 ZINC000826324534 608328150 /nfs/dbraw/zinc/32/81/50/608328150.db2.gz VYCUHVBCRKCHDH-UHFFFAOYSA-N -1 3 374.404 3.069 20 0 FGADHM Cc1nc(C)c(C(=O)NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)o1 ZINC000826324534 608328152 /nfs/dbraw/zinc/32/81/52/608328152.db2.gz VYCUHVBCRKCHDH-UHFFFAOYSA-N -1 3 374.404 3.069 20 0 FGADHM C[C@@H](COCc1ccccc1)OC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000824442433 608332667 /nfs/dbraw/zinc/33/26/67/608332667.db2.gz VZPFGOYRHNMKMB-SSCKCOOKSA-N -1 3 364.405 3.028 20 0 FGADHM C[C@@H](COCc1ccccc1)OC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000824442433 608332668 /nfs/dbraw/zinc/33/26/68/608332668.db2.gz VZPFGOYRHNMKMB-SSCKCOOKSA-N -1 3 364.405 3.028 20 0 FGADHM CCc1cnccc1[C@@H](C)NC(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000825733645 608339004 /nfs/dbraw/zinc/33/90/04/608339004.db2.gz HMNNAIHPTQOJJY-GFCCVEGCSA-N -1 3 351.414 3.015 20 0 FGADHM CCc1cnccc1[C@@H](C)NC(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000825733645 608339006 /nfs/dbraw/zinc/33/90/06/608339006.db2.gz HMNNAIHPTQOJJY-GFCCVEGCSA-N -1 3 351.414 3.015 20 0 FGADHM CCCN(CC)C(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000825308130 608356527 /nfs/dbraw/zinc/35/65/27/608356527.db2.gz VZXGJPLRQVPMHG-UHFFFAOYSA-N -1 3 364.453 3.475 20 0 FGADHM CCCN(CC)C(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000825308130 608356529 /nfs/dbraw/zinc/35/65/29/608356529.db2.gz VZXGJPLRQVPMHG-UHFFFAOYSA-N -1 3 364.453 3.475 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)CCCc1ccc(C)s1 ZINC000826171736 608363167 /nfs/dbraw/zinc/36/31/67/608363167.db2.gz WPJRTHZKORHYLV-UHFFFAOYSA-N -1 3 372.450 3.311 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)CCCc1ccc(C)s1 ZINC000826171736 608363169 /nfs/dbraw/zinc/36/31/69/608363169.db2.gz WPJRTHZKORHYLV-UHFFFAOYSA-N -1 3 372.450 3.311 20 0 FGADHM Cc1nn(-c2ccccc2)cc1CCCNc1nc(C)ccc1-c1nnn[n-]1 ZINC000826276708 608365667 /nfs/dbraw/zinc/36/56/67/608365667.db2.gz SOXMSWZQTIJUEW-UHFFFAOYSA-N -1 3 374.452 3.109 20 0 FGADHM Cc1nn(-c2ccccc2)cc1CCCNc1nc(C)ccc1-c1nn[n-]n1 ZINC000826276708 608365669 /nfs/dbraw/zinc/36/56/69/608365669.db2.gz SOXMSWZQTIJUEW-UHFFFAOYSA-N -1 3 374.452 3.109 20 0 FGADHM O=C(C[C@H]1CCCN1Cc1cccc(-c2nnn[n-]2)c1F)c1cccs1 ZINC000826404969 608406572 /nfs/dbraw/zinc/40/65/72/608406572.db2.gz RLOCQMBDIBMKDI-CYBMUJFWSA-N -1 3 371.441 3.305 20 0 FGADHM COc1ccc(C(=O)OCc2cccc(-c3nnn[n-]3)c2F)c(Cl)c1 ZINC000826188490 608448021 /nfs/dbraw/zinc/44/80/21/608448021.db2.gz YNUFUSVVVPLVGO-UHFFFAOYSA-N -1 3 362.748 3.025 20 0 FGADHM COc1ccc(C(=O)OCc2cccc(-c3nn[n-]n3)c2F)c(Cl)c1 ZINC000826188490 608448023 /nfs/dbraw/zinc/44/80/23/608448023.db2.gz YNUFUSVVVPLVGO-UHFFFAOYSA-N -1 3 362.748 3.025 20 0 FGADHM Cc1ccsc1CCCC(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826316037 608453556 /nfs/dbraw/zinc/45/35/56/608453556.db2.gz BEPABMMLBAPKNO-UHFFFAOYSA-N -1 3 360.414 3.442 20 0 FGADHM Cc1ccsc1CCCC(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826316037 608453557 /nfs/dbraw/zinc/45/35/57/608453557.db2.gz BEPABMMLBAPKNO-UHFFFAOYSA-N -1 3 360.414 3.442 20 0 FGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)[C@@H]1CCCc2sccc21 ZINC000826466128 608454131 /nfs/dbraw/zinc/45/41/31/608454131.db2.gz PQPXBJZQVVCSEI-GFCCVEGCSA-N -1 3 358.398 3.231 20 0 FGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)[C@@H]1CCCc2sccc21 ZINC000826466128 608454133 /nfs/dbraw/zinc/45/41/33/608454133.db2.gz PQPXBJZQVVCSEI-GFCCVEGCSA-N -1 3 358.398 3.231 20 0 FGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)c1ccc(F)c(Cl)c1 ZINC000826466513 608454251 /nfs/dbraw/zinc/45/42/51/608454251.db2.gz GZKWTTNDTGNONT-UHFFFAOYSA-N -1 3 350.712 3.155 20 0 FGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)c1ccc(F)c(Cl)c1 ZINC000826466513 608454253 /nfs/dbraw/zinc/45/42/53/608454253.db2.gz GZKWTTNDTGNONT-UHFFFAOYSA-N -1 3 350.712 3.155 20 0 FGADHM CC(C)(C)[C@H](OC(=O)C=Cc1ccccc1-c1nnn[n-]1)C(F)(F)F ZINC000824071523 608454642 /nfs/dbraw/zinc/45/46/42/608454642.db2.gz JNZIGACWMFMVCQ-VFNNOXKTSA-N -1 3 354.332 3.400 20 0 FGADHM CC(C)(C)[C@H](OC(=O)C=Cc1ccccc1-c1nn[n-]n1)C(F)(F)F ZINC000824071523 608454644 /nfs/dbraw/zinc/45/46/44/608454644.db2.gz JNZIGACWMFMVCQ-VFNNOXKTSA-N -1 3 354.332 3.400 20 0 FGADHM Clc1ncc(CN2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)s1 ZINC000826354094 608462909 /nfs/dbraw/zinc/46/29/09/608462909.db2.gz PILNQTIIGJZQKR-UHFFFAOYSA-N -1 3 358.858 3.266 20 0 FGADHM CSC(C)(C)COC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000826224934 608477950 /nfs/dbraw/zinc/47/79/50/608477950.db2.gz PINLCGPTFCWYDJ-UHFFFAOYSA-N -1 3 364.471 3.101 20 0 FGADHM CSC(C)(C)COC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000826224934 608477949 /nfs/dbraw/zinc/47/79/49/608477949.db2.gz PINLCGPTFCWYDJ-UHFFFAOYSA-N -1 3 364.471 3.101 20 0 FGADHM Fc1c(CNc2cc3c(cc2Cl)OCCO3)cccc1-c1nnn[n-]1 ZINC000826370930 608481265 /nfs/dbraw/zinc/48/12/65/608481265.db2.gz LYQLNHKZARZIJU-UHFFFAOYSA-N -1 3 361.764 3.043 20 0 FGADHM Fc1c(CNc2cc3c(cc2Cl)OCCO3)cccc1-c1nn[n-]n1 ZINC000826370930 608481267 /nfs/dbraw/zinc/48/12/67/608481267.db2.gz LYQLNHKZARZIJU-UHFFFAOYSA-N -1 3 361.764 3.043 20 0 FGADHM CCCCS[C@H](C)C(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000825296326 608484912 /nfs/dbraw/zinc/48/49/12/608484912.db2.gz DNYJOWCEHZDTQJ-CQSZACIVSA-N -1 3 371.510 3.404 20 0 FGADHM CCCCS[C@H](C)C(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825296326 608484914 /nfs/dbraw/zinc/48/49/14/608484914.db2.gz DNYJOWCEHZDTQJ-CQSZACIVSA-N -1 3 371.510 3.404 20 0 FGADHM C[C@H]1CC[C@H](NC(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)CC1 ZINC000826232392 608491685 /nfs/dbraw/zinc/49/16/85/608491685.db2.gz HZKFRIDZSLPTDW-PPUGGXLSSA-N -1 3 366.469 3.244 20 0 FGADHM C[C@H]1CC[C@H](NC(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)CC1 ZINC000826232392 608491686 /nfs/dbraw/zinc/49/16/86/608491686.db2.gz HZKFRIDZSLPTDW-PPUGGXLSSA-N -1 3 366.469 3.244 20 0 FGADHM COCCN(Cc1cnc(C(C)C)s1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826158874 608567148 /nfs/dbraw/zinc/56/71/48/608567148.db2.gz GSPVENMSWLDYSN-UHFFFAOYSA-N -1 3 372.498 3.095 20 0 FGADHM CC[C@@H](NC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)c1ccc(OC)cc1 ZINC000825133406 608573466 /nfs/dbraw/zinc/57/34/66/608573466.db2.gz MQEQVHCEOZXZPI-MRXNPFEDSA-N -1 3 371.828 3.410 20 0 FGADHM CC[C@@H](NC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)c1ccc(OC)cc1 ZINC000825133406 608573468 /nfs/dbraw/zinc/57/34/68/608573468.db2.gz MQEQVHCEOZXZPI-MRXNPFEDSA-N -1 3 371.828 3.410 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@H]1CCc2c1cccc2Cl ZINC000826173932 608580575 /nfs/dbraw/zinc/58/05/75/608580575.db2.gz BNGODUPRAUENMU-ZDUSSCGKSA-N -1 3 370.796 3.164 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@H]1CCc2c1cccc2Cl ZINC000826173932 608580577 /nfs/dbraw/zinc/58/05/77/608580577.db2.gz BNGODUPRAUENMU-ZDUSSCGKSA-N -1 3 370.796 3.164 20 0 FGADHM CC1(NC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)Cc2ccccc2C1 ZINC000824829478 608594248 /nfs/dbraw/zinc/59/42/48/608594248.db2.gz DYSMUEMQMSOUGM-UHFFFAOYSA-N -1 3 368.828 3.199 20 0 FGADHM CC1(NC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)Cc2ccccc2C1 ZINC000824829478 608594249 /nfs/dbraw/zinc/59/42/49/608594249.db2.gz DYSMUEMQMSOUGM-UHFFFAOYSA-N -1 3 368.828 3.199 20 0 FGADHM C[C@@H]1CCCN(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)[C@@H]1C ZINC000824938636 608600298 /nfs/dbraw/zinc/60/02/98/608600298.db2.gz WBXYSTWIIQLOJR-NXEZZACHSA-N -1 3 366.372 3.120 20 0 FGADHM C[C@@H]1CCCN(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)[C@@H]1C ZINC000824938636 608600300 /nfs/dbraw/zinc/60/03/00/608600300.db2.gz WBXYSTWIIQLOJR-NXEZZACHSA-N -1 3 366.372 3.120 20 0 FGADHM FC(F)(F)C1(C(F)(F)F)CCN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC000826367331 608716929 /nfs/dbraw/zinc/71/69/29/608716929.db2.gz UYNLWJNQVHZAMH-UHFFFAOYSA-N -1 3 371.310 3.245 20 0 FGADHM FC(F)(F)C1(C(F)(F)F)CCN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC000826367331 608716932 /nfs/dbraw/zinc/71/69/32/608716932.db2.gz UYNLWJNQVHZAMH-UHFFFAOYSA-N -1 3 371.310 3.245 20 0 FGADHM CCc1ccc(NCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)cc1C ZINC000825717481 608751727 /nfs/dbraw/zinc/75/17/27/608751727.db2.gz MVHGNBOGYBDSDV-UHFFFAOYSA-N -1 3 361.409 3.400 20 0 FGADHM CCc1ccc(NCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)cc1C ZINC000825717481 608751729 /nfs/dbraw/zinc/75/17/29/608751729.db2.gz MVHGNBOGYBDSDV-UHFFFAOYSA-N -1 3 361.409 3.400 20 0 FGADHM CC(=Cc1ccc(-c2nnn[n-]2)cc1F)c1nc(=O)c2ccsc2[nH]1 ZINC000823942730 608752761 /nfs/dbraw/zinc/75/27/61/608752761.db2.gz HUEPZNRMPGUKNQ-VURMDHGXSA-N -1 3 354.370 3.277 20 0 FGADHM CC(=Cc1ccc(-c2nn[n-]n2)cc1F)c1nc(=O)c2ccsc2[nH]1 ZINC000823942730 608752762 /nfs/dbraw/zinc/75/27/62/608752762.db2.gz HUEPZNRMPGUKNQ-VURMDHGXSA-N -1 3 354.370 3.277 20 0 FGADHM CCN(C(=O)c1ccc(C)c(C)c1O)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825379964 608761378 /nfs/dbraw/zinc/76/13/78/608761378.db2.gz MVWXVYAQQMCYIM-CQSZACIVSA-N -1 3 365.437 3.412 20 0 FGADHM Cc1sc(CCNc2cnccc2-c2nnn[n-]2)nc1-c1ccccc1 ZINC000826349861 608792251 /nfs/dbraw/zinc/79/22/51/608792251.db2.gz XNQWBWUYOHEAQF-UHFFFAOYSA-N -1 3 363.450 3.348 20 0 FGADHM Cc1sc(CCNc2cnccc2-c2nn[n-]n2)nc1-c1ccccc1 ZINC000826349861 608792254 /nfs/dbraw/zinc/79/22/54/608792254.db2.gz XNQWBWUYOHEAQF-UHFFFAOYSA-N -1 3 363.450 3.348 20 0 FGADHM COc1ccccc1COC1CCN(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826220747 608799218 /nfs/dbraw/zinc/79/92/18/608799218.db2.gz YMYUQZASNICCNO-UHFFFAOYSA-N -1 3 365.437 3.061 20 0 FGADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)O[C@H](C1CCCCC1)C(F)(F)F ZINC000826422192 608826463 /nfs/dbraw/zinc/82/64/63/608826463.db2.gz PSDGZZYSYGNOHQ-OAHLLOKOSA-N -1 3 368.359 3.464 20 0 FGADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)O[C@H](C1CCCCC1)C(F)(F)F ZINC000826422192 608826465 /nfs/dbraw/zinc/82/64/65/608826465.db2.gz PSDGZZYSYGNOHQ-OAHLLOKOSA-N -1 3 368.359 3.464 20 0 FGADHM C[C@@H]1C[C@H]1c1ccc(CN2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)o1 ZINC000824900436 608853629 /nfs/dbraw/zinc/85/36/29/608853629.db2.gz VEMDXAYTVQKRCX-OMWUSAIZSA-N -1 3 365.437 3.157 20 0 FGADHM C[C@@H]1C[C@H]1c1ccc(CN2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)o1 ZINC000824900436 608853632 /nfs/dbraw/zinc/85/36/32/608853632.db2.gz VEMDXAYTVQKRCX-OMWUSAIZSA-N -1 3 365.437 3.157 20 0 FGADHM Fc1cc(CN2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)ccc1Cl ZINC000826372136 608854900 /nfs/dbraw/zinc/85/49/00/608854900.db2.gz JKVLBUIGRYIVJZ-QGZVFWFLSA-N -1 3 373.819 3.233 20 0 FGADHM Fc1cc(CN2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)ccc1Cl ZINC000826372136 608854902 /nfs/dbraw/zinc/85/49/02/608854902.db2.gz JKVLBUIGRYIVJZ-QGZVFWFLSA-N -1 3 373.819 3.233 20 0 FGADHM c1ccc(COc2cccc(CNc3cccc(-c4nnn[n-]4)c3)c2)nc1 ZINC000826522429 608869235 /nfs/dbraw/zinc/86/92/35/608869235.db2.gz ZKHCXMJIBRBIFI-UHFFFAOYSA-N -1 3 358.405 3.453 20 0 FGADHM c1ccc(COc2cccc(CNc3cccc(-c4nn[n-]n4)c3)c2)nc1 ZINC000826522429 608869238 /nfs/dbraw/zinc/86/92/38/608869238.db2.gz ZKHCXMJIBRBIFI-UHFFFAOYSA-N -1 3 358.405 3.453 20 0 FGADHM Cc1cc(NCc2cnc3ccc(-c4nnn[n-]4)cn23)ccc1C(F)(F)F ZINC000826271627 608871804 /nfs/dbraw/zinc/87/18/04/608871804.db2.gz ZNJNXTJYYATCJX-UHFFFAOYSA-N -1 3 373.342 3.454 20 0 FGADHM Cc1cc(NCc2cnc3ccc(-c4nn[n-]n4)cn23)ccc1C(F)(F)F ZINC000826271627 608871808 /nfs/dbraw/zinc/87/18/08/608871808.db2.gz ZNJNXTJYYATCJX-UHFFFAOYSA-N -1 3 373.342 3.454 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1C[C@@H](C(F)(F)F)CC[C@H]1C ZINC000826277894 609157455 /nfs/dbraw/zinc/15/74/55/609157455.db2.gz LBYAXJZEQIPJMN-PWSUYJOCSA-N -1 3 368.363 3.370 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1C[C@@H](C(F)(F)F)CC[C@H]1C ZINC000826277894 609157457 /nfs/dbraw/zinc/15/74/57/609157457.db2.gz LBYAXJZEQIPJMN-PWSUYJOCSA-N -1 3 368.363 3.370 20 0 FGADHM C[C@H]1CC[C@H](C(F)(F)F)CN1C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000824908939 609158894 /nfs/dbraw/zinc/15/88/94/609158894.db2.gz RUHYLZOSLQLVDW-IUCAKERBSA-N -1 3 372.326 3.201 20 0 FGADHM C[C@H]1CC[C@H](C(F)(F)F)CN1C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000824908939 609158897 /nfs/dbraw/zinc/15/88/97/609158897.db2.gz RUHYLZOSLQLVDW-IUCAKERBSA-N -1 3 372.326 3.201 20 0 FGADHM C[C@H](Nc1ccc(N2CCOCC2)cc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824658402 609160674 /nfs/dbraw/zinc/16/06/74/609160674.db2.gz WVXWDYGGWYLTTN-ZDUSSCGKSA-N -1 3 368.416 3.016 20 0 FGADHM C[C@H](Nc1ccc(N2CCOCC2)cc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824658402 609160675 /nfs/dbraw/zinc/16/06/75/609160675.db2.gz WVXWDYGGWYLTTN-ZDUSSCGKSA-N -1 3 368.416 3.016 20 0 FGADHM CCNc1ccc(-c2nn[n-]n2)cc1NCc1nc([C@H](C)SCC)no1 ZINC000825481053 609178206 /nfs/dbraw/zinc/17/82/06/609178206.db2.gz STQIDMRCTXGCPQ-JTQLQIEISA-N -1 3 374.474 3.108 20 0 FGADHM C[C@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1cc(F)c(Cl)cc1Cl ZINC000824506405 609188666 /nfs/dbraw/zinc/18/86/66/609188666.db2.gz ODKQOKLNJOAQKQ-LURJTMIESA-N -1 3 369.187 3.132 20 0 FGADHM C[C@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1cc(F)c(Cl)cc1Cl ZINC000824506405 609188667 /nfs/dbraw/zinc/18/86/67/609188667.db2.gz ODKQOKLNJOAQKQ-LURJTMIESA-N -1 3 369.187 3.132 20 0 FGADHM C[C@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1ccc(-c2ccccc2)cc1 ZINC000824507227 609191701 /nfs/dbraw/zinc/19/17/01/609191701.db2.gz VUIZZYUBBJECNJ-ZDUSSCGKSA-N -1 3 358.405 3.353 20 0 FGADHM C[C@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccc(-c2ccccc2)cc1 ZINC000824507227 609191703 /nfs/dbraw/zinc/19/17/03/609191703.db2.gz VUIZZYUBBJECNJ-ZDUSSCGKSA-N -1 3 358.405 3.353 20 0 FGADHM CCc1ccc([C@H]2CCCCCN2C(=O)c2c[nH]c(-c3nnn[n-]3)c2)o1 ZINC000825704667 609216362 /nfs/dbraw/zinc/21/63/62/609216362.db2.gz MNRJAQDWYARMRN-OAHLLOKOSA-N -1 3 354.414 3.108 20 0 FGADHM CCc1ccc([C@H]2CCCCCN2C(=O)c2c[nH]c(-c3nn[n-]n3)c2)o1 ZINC000825704667 609216363 /nfs/dbraw/zinc/21/63/63/609216363.db2.gz MNRJAQDWYARMRN-OAHLLOKOSA-N -1 3 354.414 3.108 20 0 FGADHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N1CCCCC[C@H]1/C=C/c1ccccc1 ZINC000826469621 609224370 /nfs/dbraw/zinc/22/43/70/609224370.db2.gz MSBRMGFYSZBBKD-DVQDXYAYSA-N -1 3 362.437 3.293 20 0 FGADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1CCCCC[C@H]1/C=C/c1ccccc1 ZINC000826469621 609224372 /nfs/dbraw/zinc/22/43/72/609224372.db2.gz MSBRMGFYSZBBKD-DVQDXYAYSA-N -1 3 362.437 3.293 20 0 FGADHM CC1(C)CC[C@H]2C[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)c3cccc1c32 ZINC000824803802 609232298 /nfs/dbraw/zinc/23/22/98/609232298.db2.gz XJORRFJUZRBVQK-XHDPSFHLSA-N -1 3 362.437 3.225 20 0 FGADHM CC1(C)CC[C@H]2C[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)c3cccc1c32 ZINC000824803802 609232301 /nfs/dbraw/zinc/23/23/01/609232301.db2.gz XJORRFJUZRBVQK-XHDPSFHLSA-N -1 3 362.437 3.225 20 0 FGADHM C[C@H](Nc1ccc(O[C@H]2CCOC2)cc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824657997 609237041 /nfs/dbraw/zinc/23/70/41/609237041.db2.gz TXGVDMJTLNLHRU-LRDDRELGSA-N -1 3 369.400 3.347 20 0 FGADHM C[C@H](Nc1ccc(O[C@H]2CCOC2)cc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824657997 609237042 /nfs/dbraw/zinc/23/70/42/609237042.db2.gz TXGVDMJTLNLHRU-LRDDRELGSA-N -1 3 369.400 3.347 20 0 FGADHM CC(C)Sc1ccccc1NC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824337749 609247195 /nfs/dbraw/zinc/24/71/95/609247195.db2.gz FONGLOUSBXCCFV-MRXNPFEDSA-N -1 3 369.450 3.039 20 0 FGADHM CC(C)Sc1ccccc1NC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824337749 609247197 /nfs/dbraw/zinc/24/71/97/609247197.db2.gz FONGLOUSBXCCFV-MRXNPFEDSA-N -1 3 369.450 3.039 20 0 FGADHM COc1cc(F)c(N[C@@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)cc1OC ZINC000826180150 609254695 /nfs/dbraw/zinc/25/46/95/609254695.db2.gz URSORFNVJWWXIJ-VIFPVBQESA-N -1 3 361.352 3.335 20 0 FGADHM COc1cc(F)c(N[C@@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)cc1OC ZINC000826180150 609254696 /nfs/dbraw/zinc/25/46/96/609254696.db2.gz URSORFNVJWWXIJ-VIFPVBQESA-N -1 3 361.352 3.335 20 0 FGADHM CCOC(=O)CN(Cc1cc(-c2nnn[n-]2)cs1)[C@H](C)c1ccccc1 ZINC000825512128 609261199 /nfs/dbraw/zinc/26/11/99/609261199.db2.gz UYJRZZUHWPWWDW-CYBMUJFWSA-N -1 3 371.466 3.055 20 0 FGADHM CCOC(=O)CN(Cc1cc(-c2nn[n-]n2)cs1)[C@H](C)c1ccccc1 ZINC000825512128 609261201 /nfs/dbraw/zinc/26/12/01/609261201.db2.gz UYJRZZUHWPWWDW-CYBMUJFWSA-N -1 3 371.466 3.055 20 0 FGADHM O=C(Nc1ccccc1Nc1ccc(F)cc1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826457452 609265278 /nfs/dbraw/zinc/26/52/78/609265278.db2.gz BSZAVTOGATXABT-UHFFFAOYSA-N -1 3 363.356 3.330 20 0 FGADHM O=C(Nc1ccccc1Nc1ccc(F)cc1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826457452 609265280 /nfs/dbraw/zinc/26/52/80/609265280.db2.gz BSZAVTOGATXABT-UHFFFAOYSA-N -1 3 363.356 3.330 20 0 FGADHM Cc1c(C(=O)N(C)c2cccc(-c3nnn[n-]3)c2)cnn1C1CCCCC1 ZINC000826234011 609280740 /nfs/dbraw/zinc/28/07/40/609280740.db2.gz DLXCYMHUALEEKF-UHFFFAOYSA-N -1 3 365.441 3.153 20 0 FGADHM Cc1c(C(=O)N(C)c2cccc(-c3nn[n-]n3)c2)cnn1C1CCCCC1 ZINC000826234011 609280741 /nfs/dbraw/zinc/28/07/41/609280741.db2.gz DLXCYMHUALEEKF-UHFFFAOYSA-N -1 3 365.441 3.153 20 0 FGADHM CCc1nc2cc(NC(=O)c3ccc(Cl)c(-c4nnn[n-]4)c3)ccc2o1 ZINC000825749274 609290359 /nfs/dbraw/zinc/29/03/59/609290359.db2.gz AVVIYHKBESSRAG-UHFFFAOYSA-N -1 3 368.784 3.476 20 0 FGADHM CCc1nc2cc(NC(=O)c3ccc(Cl)c(-c4nn[n-]n4)c3)ccc2o1 ZINC000825749274 609290360 /nfs/dbraw/zinc/29/03/60/609290360.db2.gz AVVIYHKBESSRAG-UHFFFAOYSA-N -1 3 368.784 3.476 20 0 FGADHM CCOCc1cccc(NC(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)c1 ZINC000825604709 609290410 /nfs/dbraw/zinc/29/04/10/609290410.db2.gz KFOXSNMRONCBNT-UHFFFAOYSA-N -1 3 357.801 3.309 20 0 FGADHM CCOCc1cccc(NC(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)c1 ZINC000825604709 609290412 /nfs/dbraw/zinc/29/04/12/609290412.db2.gz KFOXSNMRONCBNT-UHFFFAOYSA-N -1 3 357.801 3.309 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C=Cc1ccc(C)nc1 ZINC000825313872 609296614 /nfs/dbraw/zinc/29/66/14/609296614.db2.gz UIVBIKHAXQRNHN-FLIBITNWSA-N -1 3 362.437 3.022 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C=Cc1ccc(C)nc1 ZINC000825313872 609296616 /nfs/dbraw/zinc/29/66/16/609296616.db2.gz UIVBIKHAXQRNHN-FLIBITNWSA-N -1 3 362.437 3.022 20 0 FGADHM CCN(C(=O)C=Cc1ccc(C)nc1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367436 609298189 /nfs/dbraw/zinc/29/81/89/609298189.db2.gz PXGYBYPPNVQBPU-WASHYIJTSA-N -1 3 362.437 3.193 20 0 FGADHM CCN(C(=O)C=Cc1ccc(C)nc1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367436 609298191 /nfs/dbraw/zinc/29/81/91/609298191.db2.gz PXGYBYPPNVQBPU-WASHYIJTSA-N -1 3 362.437 3.193 20 0 FGADHM O=C(NCCc1ccccc1Cl)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826439874 609299153 /nfs/dbraw/zinc/29/91/53/609299153.db2.gz OMWRXGSMPWSJNJ-UHFFFAOYSA-N -1 3 362.220 3.146 20 0 FGADHM O=C(NCCc1ccccc1Cl)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826439874 609299155 /nfs/dbraw/zinc/29/91/55/609299155.db2.gz OMWRXGSMPWSJNJ-UHFFFAOYSA-N -1 3 362.220 3.146 20 0 FGADHM COc1ccc(OC)c([C@@H](C)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000826211028 609324264 /nfs/dbraw/zinc/32/42/64/609324264.db2.gz MTBVCHSFGUEHAB-VXGBXAGGSA-N -1 3 371.416 3.435 20 0 FGADHM C[C@H](OC(=O)c1ccc(OC(C)(C)C)nc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824724011 609327316 /nfs/dbraw/zinc/32/73/16/609327316.db2.gz XDIWCCOPTORGIB-LBPRGKRZSA-N -1 3 367.409 3.357 20 0 FGADHM C[C@H](OC(=O)c1ccc(OC(C)(C)C)nc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824724011 609327319 /nfs/dbraw/zinc/32/73/19/609327319.db2.gz XDIWCCOPTORGIB-LBPRGKRZSA-N -1 3 367.409 3.357 20 0 FGADHM CCOCCCSCc1ccc(-c2nnn[n-]2)cc1Br ZINC000825595018 609328817 /nfs/dbraw/zinc/32/88/17/609328817.db2.gz VAZPYPWEJBTLKL-UHFFFAOYSA-N -1 3 357.277 3.289 20 0 FGADHM CCOCCCSCc1ccc(-c2nn[n-]n2)cc1Br ZINC000825595018 609328819 /nfs/dbraw/zinc/32/88/19/609328819.db2.gz VAZPYPWEJBTLKL-UHFFFAOYSA-N -1 3 357.277 3.289 20 0 FGADHM CCCCOc1ncccc1CN[C@@H](C)c1ccc(-c2nnn[n-]2)cc1F ZINC000825296383 609329591 /nfs/dbraw/zinc/32/95/91/609329591.db2.gz GSGXUJFRCZJFPV-ZDUSSCGKSA-N -1 3 370.432 3.431 20 0 FGADHM CCCCOc1ncccc1CN[C@@H](C)c1ccc(-c2nn[n-]n2)cc1F ZINC000825296383 609329593 /nfs/dbraw/zinc/32/95/93/609329593.db2.gz GSGXUJFRCZJFPV-ZDUSSCGKSA-N -1 3 370.432 3.431 20 0 FGADHM CCC/C=C/C(=O)OCc1ccc(-c2nnn[n-]2)cc1Br ZINC000825259257 609342396 /nfs/dbraw/zinc/34/23/96/609342396.db2.gz HRCOPANQUBGIBW-SNAWJCMRSA-N -1 3 351.204 3.029 20 0 FGADHM CCC/C=C/C(=O)OCc1ccc(-c2nn[n-]n2)cc1Br ZINC000825259257 609342397 /nfs/dbraw/zinc/34/23/97/609342397.db2.gz HRCOPANQUBGIBW-SNAWJCMRSA-N -1 3 351.204 3.029 20 0 FGADHM C[C@H](Nc1cncc(Br)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824662647 609347890 /nfs/dbraw/zinc/34/78/90/609347890.db2.gz OTEYTHUJUKOEGH-QMMMGPOBSA-N -1 3 363.194 3.336 20 0 FGADHM C[C@H](Nc1cncc(Br)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824662647 609347892 /nfs/dbraw/zinc/34/78/92/609347892.db2.gz OTEYTHUJUKOEGH-QMMMGPOBSA-N -1 3 363.194 3.336 20 0 FGADHM COc1cc(OC)c(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2F)cc1F ZINC000826180952 609349891 /nfs/dbraw/zinc/34/98/91/609349891.db2.gz FRZWHTFUUDYWJO-SECBINFHSA-N -1 3 361.352 3.335 20 0 FGADHM COc1cc(OC)c(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2F)cc1F ZINC000826180952 609349893 /nfs/dbraw/zinc/34/98/93/609349893.db2.gz FRZWHTFUUDYWJO-SECBINFHSA-N -1 3 361.352 3.335 20 0 FGADHM C[C@H](c1ccccn1)N(C)Cc1ccc(-c2nnn[n-]2)cc1Br ZINC000824770256 609366021 /nfs/dbraw/zinc/36/60/21/609366021.db2.gz HLZOYOYAVMLKCH-LLVKDONJSA-N -1 3 373.258 3.217 20 0 FGADHM C[C@H](c1ccccn1)N(C)Cc1ccc(-c2nn[n-]n2)cc1Br ZINC000824770256 609366023 /nfs/dbraw/zinc/36/60/23/609366023.db2.gz HLZOYOYAVMLKCH-LLVKDONJSA-N -1 3 373.258 3.217 20 0 FGADHM CCC(CC)[C@H]1C[C@@H](NC(=O)Nc2cc(-c3nnn[n-]3)ccc2C)CCO1 ZINC000825106812 609381621 /nfs/dbraw/zinc/38/16/21/609381621.db2.gz IWAZHPFLEGJIPI-DOTOQJQBSA-N -1 3 372.473 3.280 20 0 FGADHM CCC(CC)[C@H]1C[C@@H](NC(=O)Nc2cc(-c3nn[n-]n3)ccc2C)CCO1 ZINC000825106812 609381623 /nfs/dbraw/zinc/38/16/23/609381623.db2.gz IWAZHPFLEGJIPI-DOTOQJQBSA-N -1 3 372.473 3.280 20 0 FGADHM O=C(Nc1ccnc(Cl)c1)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000826459035 609384379 /nfs/dbraw/zinc/38/43/79/609384379.db2.gz RUCFYUBTZWEHPH-UHFFFAOYSA-N -1 3 369.816 3.112 20 0 FGADHM O=C(Nc1ccnc(Cl)c1)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000826459035 609384382 /nfs/dbraw/zinc/38/43/82/609384382.db2.gz RUCFYUBTZWEHPH-UHFFFAOYSA-N -1 3 369.816 3.112 20 0 FGADHM Cc1cc(C)cc(N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)c1 ZINC000826264705 609411241 /nfs/dbraw/zinc/41/12/41/609411241.db2.gz XKXUWXUWKCCZRB-GOSISDBHSA-N -1 3 362.437 3.091 20 0 FGADHM Cc1cc(C)cc(N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)c1 ZINC000826264705 609411243 /nfs/dbraw/zinc/41/12/43/609411243.db2.gz XKXUWXUWKCCZRB-GOSISDBHSA-N -1 3 362.437 3.091 20 0 FGADHM Cc1cc(NC(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)c2ccccc2n1 ZINC000826270537 609413316 /nfs/dbraw/zinc/41/33/16/609413316.db2.gz FDYWVUPYIRWEDT-UHFFFAOYSA-N -1 3 364.796 3.051 20 0 FGADHM Cc1cc(NC(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)c2ccccc2n1 ZINC000826270537 609413317 /nfs/dbraw/zinc/41/33/17/609413317.db2.gz FDYWVUPYIRWEDT-UHFFFAOYSA-N -1 3 364.796 3.051 20 0 FGADHM CC(C)(C)Sc1cc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)ccn1 ZINC000181656945 609426871 /nfs/dbraw/zinc/42/68/71/609426871.db2.gz KXBPXVHBWAXKRE-UHFFFAOYSA-N -1 3 368.466 3.082 20 0 FGADHM CC(C)(C)Sc1cc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)ccn1 ZINC000181656945 609426873 /nfs/dbraw/zinc/42/68/73/609426873.db2.gz KXBPXVHBWAXKRE-UHFFFAOYSA-N -1 3 368.466 3.082 20 0 FGADHM CC(C)(C)C[C@@H](NC(=O)NCc1cccc(-c2nnn[n-]2)c1)C(F)(F)F ZINC000824086848 609438191 /nfs/dbraw/zinc/43/81/91/609438191.db2.gz NYWPOHVJDKWOMV-GFCCVEGCSA-N -1 3 370.379 3.033 20 0 FGADHM CC(C)(C)C[C@@H](NC(=O)NCc1cccc(-c2nn[n-]n2)c1)C(F)(F)F ZINC000824086848 609438193 /nfs/dbraw/zinc/43/81/93/609438193.db2.gz NYWPOHVJDKWOMV-GFCCVEGCSA-N -1 3 370.379 3.033 20 0 FGADHM COc1ccc(CNc2ccc(F)cc2OC(C)C)cc1-c1nnn[n-]1 ZINC000826203927 609440436 /nfs/dbraw/zinc/44/04/36/609440436.db2.gz MYVCNXBDUQYHMJ-UHFFFAOYSA-N -1 3 357.389 3.414 20 0 FGADHM COc1ccc(CNc2ccc(F)cc2OC(C)C)cc1-c1nn[n-]n1 ZINC000826203927 609440439 /nfs/dbraw/zinc/44/04/39/609440439.db2.gz MYVCNXBDUQYHMJ-UHFFFAOYSA-N -1 3 357.389 3.414 20 0 FGADHM Cc1csc(CNc2ccn(-c3ccc(-c4nn[n-]n4)cc3Cl)n2)n1 ZINC000826321180 609444159 /nfs/dbraw/zinc/44/41/59/609444159.db2.gz UBQFPKOWLQBACR-UHFFFAOYSA-N -1 3 372.845 3.083 20 0 FGADHM CCOC(=O)/C=C\CSc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000825499776 609452302 /nfs/dbraw/zinc/45/23/02/609452302.db2.gz UCIGXSROIISRIO-ARJAWSKDSA-N -1 3 358.345 3.097 20 0 FGADHM CCOC(=O)/C=C\CSc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000825499776 609452304 /nfs/dbraw/zinc/45/23/04/609452304.db2.gz UCIGXSROIISRIO-ARJAWSKDSA-N -1 3 358.345 3.097 20 0 FGADHM CCN(CC)C(=O)c1ccc(NCc2cccc(-c3nnn[n-]3)c2F)cc1 ZINC000825406912 609475348 /nfs/dbraw/zinc/47/53/48/609475348.db2.gz ULICMTWQACEYNL-UHFFFAOYSA-N -1 3 368.416 3.100 20 0 FGADHM CCN(CC)C(=O)c1ccc(NCc2cccc(-c3nn[n-]n3)c2F)cc1 ZINC000825406912 609475349 /nfs/dbraw/zinc/47/53/49/609475349.db2.gz ULICMTWQACEYNL-UHFFFAOYSA-N -1 3 368.416 3.100 20 0 FGADHM COc1cccc(CNc2cc(-c3nnn[n-]3)ccc2OC(C)C)c1OC ZINC000826216051 609479740 /nfs/dbraw/zinc/47/97/40/609479740.db2.gz IOQIFLCQQLVLAW-UHFFFAOYSA-N -1 3 369.425 3.283 20 0 FGADHM COc1cccc(CNc2cc(-c3nn[n-]n3)ccc2OC(C)C)c1OC ZINC000826216051 609479741 /nfs/dbraw/zinc/47/97/41/609479741.db2.gz IOQIFLCQQLVLAW-UHFFFAOYSA-N -1 3 369.425 3.283 20 0 FGADHM CC(C)Oc1ccc(NCc2c[nH]nc2C(C)(C)C)cc1-c1nnn[n-]1 ZINC000824329674 609489657 /nfs/dbraw/zinc/48/96/57/609489657.db2.gz UDXVYALIHSYTOW-UHFFFAOYSA-N -1 3 355.446 3.287 20 0 FGADHM CC(C)Oc1ccc(NCc2c[nH]nc2C(C)(C)C)cc1-c1nn[n-]n1 ZINC000824329674 609489658 /nfs/dbraw/zinc/48/96/58/609489658.db2.gz UDXVYALIHSYTOW-UHFFFAOYSA-N -1 3 355.446 3.287 20 0 FGADHM CCOC(=O)Nc1ccc(NCc2ccc(Cl)nc2)cc1-c1nnn[n-]1 ZINC000825552762 609490781 /nfs/dbraw/zinc/49/07/81/609490781.db2.gz DOSPGZHSXQDDHA-UHFFFAOYSA-N -1 3 373.804 3.096 20 0 FGADHM CCOC(=O)Nc1ccc(NCc2ccc(Cl)nc2)cc1-c1nn[n-]n1 ZINC000825552762 609490784 /nfs/dbraw/zinc/49/07/84/609490784.db2.gz DOSPGZHSXQDDHA-UHFFFAOYSA-N -1 3 373.804 3.096 20 0 FGADHM CC(C)(C)c1ccc(OS(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000824135891 609505324 /nfs/dbraw/zinc/50/53/24/609505324.db2.gz KAMVTEXEKDBMMI-UHFFFAOYSA-N -1 3 372.450 3.073 20 0 FGADHM CC(C)(C)c1ccc(OS(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000824135891 609505326 /nfs/dbraw/zinc/50/53/26/609505326.db2.gz KAMVTEXEKDBMMI-UHFFFAOYSA-N -1 3 372.450 3.073 20 0 FGADHM Cc1cnc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)c(C)c1 ZINC000826318146 609507313 /nfs/dbraw/zinc/50/73/13/609507313.db2.gz XCVFJKOSBPIJNY-UHFFFAOYSA-N -1 3 354.439 3.071 20 0 FGADHM Cc1cnc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)c(C)c1 ZINC000826318146 609507315 /nfs/dbraw/zinc/50/73/15/609507315.db2.gz XCVFJKOSBPIJNY-UHFFFAOYSA-N -1 3 354.439 3.071 20 0 FGADHM CCOC(=O)c1sc(NC(=O)[C@@H](C)[C@@H](C)CC)c(-c2nnn[n-]2)c1C ZINC000825576020 609508543 /nfs/dbraw/zinc/50/85/43/609508543.db2.gz BJFQACFLFIKCMJ-IUCAKERBSA-N -1 3 365.459 3.034 20 0 FGADHM CCOC(=O)c1sc(NC(=O)[C@@H](C)[C@@H](C)CC)c(-c2nn[n-]n2)c1C ZINC000825576020 609508544 /nfs/dbraw/zinc/50/85/44/609508544.db2.gz BJFQACFLFIKCMJ-IUCAKERBSA-N -1 3 365.459 3.034 20 0 FGADHM C[C@H]1CCC[C@H]1C(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000824929154 609511986 /nfs/dbraw/zinc/51/19/86/609511986.db2.gz WSCCDXCRJKGEJX-CMPLNLGQSA-N -1 3 371.832 3.081 20 0 FGADHM C[C@H]1CCC[C@H]1C(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000824929154 609511989 /nfs/dbraw/zinc/51/19/89/609511989.db2.gz WSCCDXCRJKGEJX-CMPLNLGQSA-N -1 3 371.832 3.081 20 0 FGADHM CC[C@@H](C)[C@H](C)C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(F)(F)F ZINC000825050328 609529806 /nfs/dbraw/zinc/52/98/06/609529806.db2.gz HVOSAQQWQZHRBF-NEPJUHHUSA-N -1 3 369.391 3.440 20 0 FGADHM CC[C@@H](C)[C@H](C)C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(F)(F)F ZINC000825050328 609529808 /nfs/dbraw/zinc/52/98/08/609529808.db2.gz HVOSAQQWQZHRBF-NEPJUHHUSA-N -1 3 369.391 3.440 20 0 FGADHM Cc1ccnc(NCCCC(=O)Nc2ccc(Cl)cc2)c1-c1nnn[n-]1 ZINC000826313298 609538224 /nfs/dbraw/zinc/53/82/24/609538224.db2.gz BGTBKOOIFPOVOH-UHFFFAOYSA-N -1 3 371.832 3.054 20 0 FGADHM Cc1ccnc(NCCCC(=O)Nc2ccc(Cl)cc2)c1-c1nn[n-]n1 ZINC000826313298 609538227 /nfs/dbraw/zinc/53/82/27/609538227.db2.gz BGTBKOOIFPOVOH-UHFFFAOYSA-N -1 3 371.832 3.054 20 0 FGADHM CCCCCN(C(C)C)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000825271452 609538468 /nfs/dbraw/zinc/53/84/68/609538468.db2.gz JXQQXOWXMFMKOV-UHFFFAOYSA-N -1 3 371.894 3.109 20 0 FGADHM CCCCCN(C(C)C)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000825271452 609538467 /nfs/dbraw/zinc/53/84/67/609538467.db2.gz JXQQXOWXMFMKOV-UHFFFAOYSA-N -1 3 371.894 3.109 20 0 FGADHM Cc1c(Cl)cnc(N2C[C@@H](c3ccccc3)O[C@@H](C)C2)c1-c1nnn[n-]1 ZINC000826237364 609539844 /nfs/dbraw/zinc/53/98/44/609539844.db2.gz XDLMMJTYGJDOCB-NHYWBVRUSA-N -1 3 370.844 3.190 20 0 FGADHM Cc1c(Cl)cnc(N2C[C@@H](c3ccccc3)O[C@@H](C)C2)c1-c1nn[n-]n1 ZINC000826237364 609539846 /nfs/dbraw/zinc/53/98/46/609539846.db2.gz XDLMMJTYGJDOCB-NHYWBVRUSA-N -1 3 370.844 3.190 20 0 FGADHM Cc1c(Cl)cnc(N2CC[C@H](c3cccc(F)c3)C2)c1-c1nnn[n-]1 ZINC000826237528 609548945 /nfs/dbraw/zinc/54/89/45/609548945.db2.gz CNXDZYZFSQCKQU-LBPRGKRZSA-N -1 3 358.808 3.357 20 0 FGADHM Cc1c(Cl)cnc(N2CC[C@H](c3cccc(F)c3)C2)c1-c1nn[n-]n1 ZINC000826237528 609548947 /nfs/dbraw/zinc/54/89/47/609548947.db2.gz CNXDZYZFSQCKQU-LBPRGKRZSA-N -1 3 358.808 3.357 20 0 FGADHM Cc1ccnc(N2CCC(Cc3ccccc3F)CC2)c1-c1nnn[n-]1 ZINC000826310158 609551492 /nfs/dbraw/zinc/55/14/92/609551492.db2.gz MZNHDGOWBOUJTC-UHFFFAOYSA-N -1 3 352.417 3.168 20 0 FGADHM Cc1ccnc(N2CCC(Cc3ccccc3F)CC2)c1-c1nn[n-]n1 ZINC000826310158 609551494 /nfs/dbraw/zinc/55/14/94/609551494.db2.gz MZNHDGOWBOUJTC-UHFFFAOYSA-N -1 3 352.417 3.168 20 0 FGADHM Cc1ccnc(NC[C@@H](O)c2ccc(Cl)cc2Cl)c1-c1nnn[n-]1 ZINC000826313021 609552515 /nfs/dbraw/zinc/55/25/15/609552515.db2.gz UVTHENJZCBEHNW-GFCCVEGCSA-N -1 3 365.224 3.022 20 0 FGADHM Cc1ccnc(NC[C@@H](O)c2ccc(Cl)cc2Cl)c1-c1nn[n-]n1 ZINC000826313021 609552517 /nfs/dbraw/zinc/55/25/17/609552517.db2.gz UVTHENJZCBEHNW-GFCCVEGCSA-N -1 3 365.224 3.022 20 0 FGADHM COc1ccccc1O[C@H](C)CNc1ncc(Cl)c(C)c1-c1nnn[n-]1 ZINC000826220096 609561012 /nfs/dbraw/zinc/56/10/12/609561012.db2.gz BZNUBFJFPLGWHM-SNVBAGLBSA-N -1 3 374.832 3.112 20 0 FGADHM COc1ccccc1O[C@H](C)CNc1ncc(Cl)c(C)c1-c1nn[n-]n1 ZINC000826220096 609561015 /nfs/dbraw/zinc/56/10/15/609561015.db2.gz BZNUBFJFPLGWHM-SNVBAGLBSA-N -1 3 374.832 3.112 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)c(Nc2cnc(N3CCCC[C@@H]3C)c(C)c2)n1 ZINC000826277265 609563395 /nfs/dbraw/zinc/56/33/95/609563395.db2.gz PCNDUCAOHWWVKY-AWEZNQCLSA-N -1 3 364.457 3.396 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)c(Nc2cnc(N3CCCC[C@@H]3C)c(C)c2)n1 ZINC000826277265 609563397 /nfs/dbraw/zinc/56/33/97/609563397.db2.gz PCNDUCAOHWWVKY-AWEZNQCLSA-N -1 3 364.457 3.396 20 0 FGADHM Cc1nccn1-c1ccc([C@H](C)Nc2nccc(C)c2-c2nnn[n-]2)cc1 ZINC000826312069 609572120 /nfs/dbraw/zinc/57/21/20/609572120.db2.gz VJOPXJWCEZKWJJ-ZDUSSCGKSA-N -1 3 360.425 3.237 20 0 FGADHM Cc1nccn1-c1ccc([C@H](C)Nc2nccc(C)c2-c2nn[n-]n2)cc1 ZINC000826312069 609572123 /nfs/dbraw/zinc/57/21/23/609572123.db2.gz VJOPXJWCEZKWJJ-ZDUSSCGKSA-N -1 3 360.425 3.237 20 0 FGADHM c1ccc(OC[C@@H]2CCN(c3ccc4cc(-c5nnn[n-]5)ccc4n3)C2)cc1 ZINC000826522976 609574074 /nfs/dbraw/zinc/57/40/74/609574074.db2.gz VQMJXAATTCZCID-OAHLLOKOSA-N -1 3 372.432 3.320 20 0 FGADHM c1ccc(OC[C@@H]2CCN(c3ccc4cc(-c5nn[n-]n5)ccc4n3)C2)cc1 ZINC000826522976 609574076 /nfs/dbraw/zinc/57/40/76/609574076.db2.gz VQMJXAATTCZCID-OAHLLOKOSA-N -1 3 372.432 3.320 20 0 FGADHM Cc1c(Cl)cnc(NC[C@H](C[C@H](C)O)c2ccccc2)c1-c1nnn[n-]1 ZINC000826239350 609575656 /nfs/dbraw/zinc/57/56/56/609575656.db2.gz DWBLYLJWSWYEBB-FZMZJTMJSA-N -1 3 372.860 3.190 20 0 FGADHM Cc1c(Cl)cnc(NC[C@H](C[C@H](C)O)c2ccccc2)c1-c1nn[n-]n1 ZINC000826239350 609575658 /nfs/dbraw/zinc/57/56/58/609575658.db2.gz DWBLYLJWSWYEBB-FZMZJTMJSA-N -1 3 372.860 3.190 20 0 FGADHM COc1ccccc1[C@H](Nc1nccc(C)c1-c1nnn[n-]1)c1ccccn1 ZINC000826218987 609582987 /nfs/dbraw/zinc/58/29/87/609582987.db2.gz QBHHYMCQBYJPQK-SFHVURJKSA-N -1 3 373.420 3.175 20 0 FGADHM COc1ccccc1[C@H](Nc1nccc(C)c1-c1nn[n-]n1)c1ccccn1 ZINC000826218987 609582989 /nfs/dbraw/zinc/58/29/89/609582989.db2.gz QBHHYMCQBYJPQK-SFHVURJKSA-N -1 3 373.420 3.175 20 0 FGADHM Cc1c(Cl)cnc(N2C[C@H](C(F)(F)F)CC[C@@H]2C)c1-c1nnn[n-]1 ZINC000826237270 609585741 /nfs/dbraw/zinc/58/57/41/609585741.db2.gz ULJHJIPHWOKZLQ-IONNQARKSA-N -1 3 360.771 3.391 20 0 FGADHM Cc1c(Cl)cnc(N2C[C@H](C(F)(F)F)CC[C@@H]2C)c1-c1nn[n-]n1 ZINC000826237270 609585744 /nfs/dbraw/zinc/58/57/44/609585744.db2.gz ULJHJIPHWOKZLQ-IONNQARKSA-N -1 3 360.771 3.391 20 0 FGADHM CC[C@H]1C[C@@H](C(=O)N(CC)c2ccc(-c3nnn[n-]3)c(Cl)c2)CCO1 ZINC000825176388 609599676 /nfs/dbraw/zinc/59/96/76/609599676.db2.gz RQBWIQADGNFKNX-AAEUAGOBSA-N -1 3 363.849 3.078 20 0 FGADHM CC[C@H]1C[C@@H](C(=O)N(CC)c2ccc(-c3nn[n-]n3)c(Cl)c2)CCO1 ZINC000825176388 609599679 /nfs/dbraw/zinc/59/96/79/609599679.db2.gz RQBWIQADGNFKNX-AAEUAGOBSA-N -1 3 363.849 3.078 20 0 FGADHM Cc1ccc2c(c1)[C@@H](NC(=O)CCc1ccc(-c3nnn[n-]3)cc1)[C@@H](C)C2 ZINC000826294060 609601373 /nfs/dbraw/zinc/60/13/73/609601373.db2.gz HZOUHFKVSLEXDT-XOBRGWDASA-N -1 3 361.449 3.157 20 0 FGADHM Cc1ccc2c(c1)[C@@H](NC(=O)CCc1ccc(-c3nn[n-]n3)cc1)[C@@H](C)C2 ZINC000826294060 609601374 /nfs/dbraw/zinc/60/13/74/609601374.db2.gz HZOUHFKVSLEXDT-XOBRGWDASA-N -1 3 361.449 3.157 20 0 FGADHM C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000824909812 609606356 /nfs/dbraw/zinc/60/63/56/609606356.db2.gz VCKSGAUKEJOZKP-MWLCHTKSSA-N -1 3 354.336 3.061 20 0 FGADHM C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000824909812 609606357 /nfs/dbraw/zinc/60/63/57/609606357.db2.gz VCKSGAUKEJOZKP-MWLCHTKSSA-N -1 3 354.336 3.061 20 0 FGADHM C[C@H]1CC[C@@H](C(F)(F)F)CN1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000824909810 609606621 /nfs/dbraw/zinc/60/66/21/609606621.db2.gz VCKSGAUKEJOZKP-GXSJLCMTSA-N -1 3 354.336 3.061 20 0 FGADHM C[C@H]1CC[C@@H](C(F)(F)F)CN1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000824909810 609606623 /nfs/dbraw/zinc/60/66/23/609606623.db2.gz VCKSGAUKEJOZKP-GXSJLCMTSA-N -1 3 354.336 3.061 20 0 FGADHM Cc1ccc2c(c1)[C@@H](NC(=O)c1c(F)cc(-c3nnn[n-]3)cc1F)[C@H](C)C2 ZINC000826294593 609625907 /nfs/dbraw/zinc/62/59/07/609625907.db2.gz WHRLTNVKILUPSL-QGHHPUGFSA-N -1 3 369.375 3.117 20 0 FGADHM Cc1ccc2c(c1)[C@@H](NC(=O)c1c(F)cc(-c3nn[n-]n3)cc1F)[C@H](C)C2 ZINC000826294593 609625908 /nfs/dbraw/zinc/62/59/08/609625908.db2.gz WHRLTNVKILUPSL-QGHHPUGFSA-N -1 3 369.375 3.117 20 0 FGADHM Cc1n[n-]c(C)c1S(=O)(=O)Oc1ccc(OCc2ccccc2)cc1 ZINC000010491526 695590647 /nfs/dbraw/zinc/59/06/47/695590647.db2.gz HDBUTYUPYIQQCG-UHFFFAOYSA-N -1 3 358.419 3.373 20 0 FGADHM O=C(COc1ccccc1F)N[N-]C(=O)c1cc(Cl)sc1Cl ZINC000015706848 695621495 /nfs/dbraw/zinc/62/14/95/695621495.db2.gz FOSLKWZJBDSEOM-UHFFFAOYSA-N -1 3 363.197 3.034 20 0 FGADHM O=c1[n-]nc(SCc2ccc(C(F)(F)F)cc2)n1C[C@H]1CCCO1 ZINC000016117969 695625166 /nfs/dbraw/zinc/62/51/66/695625166.db2.gz MVMAPLJUQQMIEO-GFCCVEGCSA-N -1 3 359.373 3.062 20 0 FGADHM Cc1ccc(C)c(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)c1 ZINC000029054137 695708952 /nfs/dbraw/zinc/70/89/52/695708952.db2.gz VDKIYRKYDULPMD-UHFFFAOYSA-N -1 3 362.426 3.136 20 0 FGADHM O=S(=O)([N-]Cc1ccc(N2CCCC2)cc1)c1ccc(F)cc1F ZINC000030418941 695722892 /nfs/dbraw/zinc/72/28/92/695722892.db2.gz YJBFOHMSDWMGTL-UHFFFAOYSA-N -1 3 352.406 3.044 20 0 FGADHM CCCCc1ccc(NC(=S)N[N-]C(=O)c2cc(C3CC3)[nH]n2)cc1 ZINC000031490348 695736413 /nfs/dbraw/zinc/73/64/13/695736413.db2.gz NGGSMZDVXIXOKW-UHFFFAOYSA-N -1 3 357.483 3.261 20 0 FGADHM O=C(CCOc1ccc(Cl)c(Cl)c1)N[N-]C(=O)c1ccccc1F ZINC000031488364 695736453 /nfs/dbraw/zinc/73/64/53/695736453.db2.gz PNOOHIJGNIJSME-UHFFFAOYSA-N -1 3 371.195 3.363 20 0 FGADHM O=S(=O)([N-]CCCOc1ccccc1F)c1cccc(Cl)c1F ZINC000032442887 695745273 /nfs/dbraw/zinc/74/52/73/695745273.db2.gz ZOPJBAOFLSBKFX-UHFFFAOYSA-N -1 3 361.797 3.366 20 0 FGADHM CCc1cccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)c1 ZINC000046123927 695833465 /nfs/dbraw/zinc/83/34/65/695833465.db2.gz MCAHAIBYXYUGDF-UHFFFAOYSA-N -1 3 364.442 3.327 20 0 FGADHM O=C(OCc1ccc(Cl)cc1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000046331934 695837346 /nfs/dbraw/zinc/83/73/46/695837346.db2.gz IVPRPQUMEMFOCC-MRXNPFEDSA-N -1 3 359.809 3.394 20 0 FGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N([C@@H](C)C(C)C)C2CC2)ccc1F ZINC000046445813 695839834 /nfs/dbraw/zinc/83/98/34/695839834.db2.gz YUKPKGWJLKZOQR-ZDUSSCGKSA-N -1 3 370.490 3.162 20 0 FGADHM COCCOc1ccc(S(=O)(=O)[N-]c2ccc(C)c(F)c2)cc1C ZINC000046623678 695843817 /nfs/dbraw/zinc/84/38/17/695843817.db2.gz LLCDGQTXYOUPIC-UHFFFAOYSA-N -1 3 353.415 3.269 20 0 FGADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H](c1ccc(F)cc1)C(C)C ZINC000047332193 695857231 /nfs/dbraw/zinc/85/72/31/695857231.db2.gz CJIWWRHJFTWOPN-CYBMUJFWSA-N -1 3 359.854 3.197 20 0 FGADHM C[C@@H]1C[C@H]1C[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000049239498 695893262 /nfs/dbraw/zinc/89/32/62/695893262.db2.gz UIXHENUEHXLMQD-SFYZADRCSA-N -1 3 372.206 3.402 20 0 FGADHM CC[C@H]1CCC[C@@H](NC(=O)N[N-]C(=O)c2ccccc2Br)C1 ZINC000077856274 700267373 /nfs/dbraw/zinc/26/73/73/700267373.db2.gz SSQZFPKXLKKXEK-NWDGAFQWSA-N -1 3 368.275 3.362 20 0 FGADHM Cc1sc([N-]C(=O)c2cccc[n+]2[O-])nc1-c1ccc2c(c1)CCC2 ZINC000081232943 700330855 /nfs/dbraw/zinc/33/08/55/700330855.db2.gz IJHAHSNBWCPZHC-UHFFFAOYSA-N -1 3 351.431 3.493 20 0 FGADHM C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(Br)ccc1[O-] ZINC000085588463 700367999 /nfs/dbraw/zinc/36/79/99/700367999.db2.gz OZKLSQDLSJYYEV-QMMMGPOBSA-N -1 3 359.220 3.006 20 0 FGADHM CC(C)(C)C(=O)N1CCC[C@@H]1C(=O)Nc1cc(Br)ccc1[O-] ZINC000085588451 700368036 /nfs/dbraw/zinc/36/80/36/700368036.db2.gz FXXBDTNWKOLXRS-GFCCVEGCSA-N -1 3 369.259 3.130 20 0 FGADHM C[C@@H](OC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)c1ccc(F)c(F)c1 ZINC000101707224 700470491 /nfs/dbraw/zinc/47/04/91/700470491.db2.gz RNSWXRKJURPYTO-SECBINFHSA-N -1 3 373.352 3.393 20 0 FGADHM CC(=O)c1csc(C(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)c1 ZINC000106633525 700509307 /nfs/dbraw/zinc/50/93/07/700509307.db2.gz LUPLOLZZBZUFTL-UHFFFAOYSA-N -1 3 353.403 3.262 20 0 FGADHM COC(=O)NCc1ccc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)cc1 ZINC000117230342 700602089 /nfs/dbraw/zinc/60/20/89/700602089.db2.gz PKROTUDDPJXWKB-UHFFFAOYSA-N -1 3 362.451 3.269 20 0 FGADHM CC(C)c1ncc(Cl)c(C(=O)[N-]c2c3ccccc3oc2C(N)=O)n1 ZINC000120686160 700658566 /nfs/dbraw/zinc/65/85/66/700658566.db2.gz WSFMWZJHRSZFTI-UHFFFAOYSA-N -1 3 358.785 3.351 20 0 FGADHM O=S(=O)([N-]C[C@@H](O)c1ccccc1Cl)c1ccc(Cl)s1 ZINC000120886209 700661734 /nfs/dbraw/zinc/66/17/34/700661734.db2.gz WMLDKBDLPHUHNV-SNVBAGLBSA-N -1 3 352.264 3.067 20 0 FGADHM O=S(=O)([N-]C[C@H](O)c1ccccc1Cl)c1ccc(Cl)cc1F ZINC000120925236 700662488 /nfs/dbraw/zinc/66/24/88/700662488.db2.gz LEVAVADUQALPFB-ZDUSSCGKSA-N -1 3 364.225 3.144 20 0 FGADHM Cc1c([O-])ccc2c(CN3CCO[C@@H](c4ccsc4)C3)cc(=O)oc12 ZINC000126179949 700745058 /nfs/dbraw/zinc/74/50/58/700745058.db2.gz DNZIZOBKQVAXSH-QGZVFWFLSA-N -1 3 357.431 3.442 20 0 FGADHM CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(Br)ccc1[O-] ZINC000126707112 700751755 /nfs/dbraw/zinc/75/17/55/700751755.db2.gz PZADWCLPIKBIEB-SNVBAGLBSA-N -1 3 373.247 3.397 20 0 FGADHM O=C(Nc1cc(Br)ccc1[O-])c1cccc(C2OCCO2)c1 ZINC000132594370 700829167 /nfs/dbraw/zinc/82/91/67/700829167.db2.gz DXPXNIGWKDPCLL-UHFFFAOYSA-N -1 3 364.195 3.452 20 0 FGADHM C[C@@H]1CN(c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)C[C@H](C)O1 ZINC000133269187 700836482 /nfs/dbraw/zinc/83/64/82/700836482.db2.gz KSZXVUIZAZCPGJ-OKILXGFUSA-N -1 3 364.442 3.240 20 0 FGADHM C[C@H](CC(=O)c1ccccc1)[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000151915697 704942929 /nfs/dbraw/zinc/94/29/29/704942929.db2.gz ACUOFNBNGYDAGT-SNVBAGLBSA-N -1 3 373.261 3.328 20 0 FGADHM CN1c2ccc(S(=O)(=O)[N-]c3cccnc3Cl)c3cccc(c23)C1=O ZINC000152473686 704964010 /nfs/dbraw/zinc/96/40/10/704964010.db2.gz UJHSPOVEAQKNLW-UHFFFAOYSA-N -1 3 373.821 3.279 20 0 FGADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1cc(F)ccc1OCC(F)(F)F ZINC000154499470 705035984 /nfs/dbraw/zinc/03/59/84/705035984.db2.gz ZLGJDGRAMDBSEG-GFCCVEGCSA-N -1 3 352.284 3.347 20 0 FGADHM 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ZINC000657108230 719563912 /nfs/dbraw/zinc/56/39/12/719563912.db2.gz AERINSOYOAKDLB-OAHLLOKOSA-N -1 3 373.833 3.154 20 0 FGADHM COC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)s1)c1cccc(OC)c1 ZINC000657108671 719564341 /nfs/dbraw/zinc/56/43/41/719564341.db2.gz JCFUHZLODICDMN-GFCCVEGCSA-N -1 3 361.872 3.076 20 0 FGADHM C[C@@H]1CCC[C@H](C[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)O1 ZINC000657157434 719578465 /nfs/dbraw/zinc/57/84/65/719578465.db2.gz WSLIYYGHSQIOHZ-MWLCHTKSSA-N -1 3 355.353 3.080 20 0 FGADHM CC1(C)C[C@H](Sc2nc3c(cnn3Cc3ccccc3)c(=O)[n-]2)CO1 ZINC000657284607 719617006 /nfs/dbraw/zinc/61/70/06/719617006.db2.gz REPAGERSGITBOJ-ZDUSSCGKSA-N -1 3 356.451 3.240 20 0 FGADHM CCC(=O)CCCSc1nc2c(cnn2Cc2ccccc2)c(=O)[n-]1 ZINC000657284018 719617104 /nfs/dbraw/zinc/61/71/04/719617104.db2.gz LEJJROLCICYENV-UHFFFAOYSA-N -1 3 356.451 3.432 20 0 FGADHM O=C([O-])[C@@H](c1ccccc1Br)N1CCOC[C@@H](C2CCC2)C1 ZINC000659787828 719935737 /nfs/dbraw/zinc/93/57/37/719935737.db2.gz GAIVXJGFSZGLDQ-XJKSGUPXSA-N -1 3 368.271 3.323 20 0 FGADHM O=C([O-])[C@@H]1CN(Cc2cn3ccccc3n2)C[C@H]1c1ccc(Cl)cc1 ZINC000659797760 719937615 /nfs/dbraw/zinc/93/76/15/719937615.db2.gz ONSAJZAPNZDTBQ-DLBZAZTESA-N -1 3 355.825 3.288 20 0 FGADHM CCc1ccccc1COC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000782264941 724646053 /nfs/dbraw/zinc/64/60/53/724646053.db2.gz KZANAESYGZYOAB-UHFFFAOYSA-N -1 3 351.399 3.117 20 0 FGADHM Cc1cc(=O)[n-]c(C(C)(C)NCc2ccc(F)cc2Br)n1 ZINC000660745182 720110485 /nfs/dbraw/zinc/11/04/85/720110485.db2.gz PXFKOZQSJAVKHU-UHFFFAOYSA-N -1 3 354.223 3.417 20 0 FGADHM Cc1cc(=O)[n-]c(C(C)(C)NCc2nnc(-c3ccc(Cl)cc3)o2)n1 ZINC000660747362 720111506 /nfs/dbraw/zinc/11/15/06/720111506.db2.gz PSOWSDTWONVVIM-UHFFFAOYSA-N -1 3 359.817 3.219 20 0 FGADHM O=c1nc(CN2CC[C@@H]3COC[C@@H]3C2)[n-]c2scc(-c3ccco3)c21 ZINC000662035882 720362303 /nfs/dbraw/zinc/36/23/03/720362303.db2.gz SKLQUQWQEAXIHF-NEPJUHHUSA-N -1 3 357.435 3.125 20 0 FGADHM O=C([O-])CC1(NCc2nc(-c3c(F)cccc3F)cs2)CCOCC1 ZINC000662212891 720394820 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[O-]c1cccc(CN2CCO[C@@H](CC(F)(F)F)C2)c1Br ZINC000668766455 721351001 /nfs/dbraw/zinc/35/10/01/721351001.db2.gz SHSZWDAPPGKWQX-JTQLQIEISA-N -1 3 354.166 3.308 20 0 FGADHM O=C([N-]N1CCCNC1=O)c1cc(Cl)ccc1Oc1ccc(F)cc1 ZINC000783599896 724770273 /nfs/dbraw/zinc/77/02/73/724770273.db2.gz FDICSRRLVFZBDH-UHFFFAOYSA-N -1 3 363.776 3.332 20 0 FGADHM COc1ccc([N-]S(=O)(=O)CCc2ccccc2)c(C(F)(F)F)n1 ZINC000670329398 721530890 /nfs/dbraw/zinc/53/08/90/721530890.db2.gz GRQTWKBSVXNBQB-UHFFFAOYSA-N -1 3 360.357 3.093 20 0 FGADHM O=S(=O)(Cc1cc(-c2ccccc2)no1)[N-]CC1(C(F)(F)F)CC1 ZINC000671699677 721609290 /nfs/dbraw/zinc/60/92/90/721609290.db2.gz NYQBNMKAEMUFGU-UHFFFAOYSA-N -1 3 360.357 3.104 20 0 FGADHM COc1ccc(-c2nc([N-]C(=O)c3sccc3Cl)n[nH]2)cc1OC ZINC000671729783 721611818 /nfs/dbraw/zinc/61/18/18/721611818.db2.gz ALGPXXFXCIKLJE-UHFFFAOYSA-N -1 3 364.814 3.456 20 0 FGADHM CCc1sc(C(=O)N[C@H](C)[C@H](C)C(=O)Nc2ncccc2[O-])cc1C ZINC000673506128 721664457 /nfs/dbraw/zinc/66/44/57/721664457.db2.gz 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O=c1[n-]c(SC2CCOCC2)nc2c1cnn2-c1cccc(Cl)c1 ZINC000681130490 722182629 /nfs/dbraw/zinc/18/26/29/722182629.db2.gz UBFQHFRJAGSEPX-UHFFFAOYSA-N -1 3 362.842 3.446 20 0 FGADHM COc1cccc(S(=O)(=O)[N-][C@@](C)(c2ccccc2)C(F)(F)F)c1 ZINC000681364670 722201202 /nfs/dbraw/zinc/20/12/02/722201202.db2.gz ZPKQGOCQVIPFJW-HNNXBMFYSA-N -1 3 359.369 3.451 20 0 FGADHM C[C@]1(c2ccccc2)C[C@H]1[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000682370723 722243779 /nfs/dbraw/zinc/24/37/79/722243779.db2.gz YMLBGMLQIUISLB-HUUCEWRRSA-N -1 3 356.369 3.109 20 0 FGADHM Cc1cc(=O)[n-]c([C@H](C)N2CCOc3c(Br)cccc3C2)n1 ZINC000684208437 722327267 /nfs/dbraw/zinc/32/72/67/722327267.db2.gz FTCFJPPBNVNBSM-NSHDSACASA-N -1 3 364.243 3.209 20 0 FGADHM COc1nnc([N-]C(=O)c2cc(F)c(Br)cc2Cl)s1 ZINC000684638836 722350469 /nfs/dbraw/zinc/35/04/69/722350469.db2.gz MSZSKEAHXUOJAH-UHFFFAOYSA-N -1 3 366.599 3.354 20 0 FGADHM C[C@@H](C[N-]S(=O)(=O)c1cccc(Br)c1F)c1ccncc1 ZINC000684913355 722367297 /nfs/dbraw/zinc/36/72/97/722367297.db2.gz 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722458536 /nfs/dbraw/zinc/45/85/36/722458536.db2.gz CBVKYWJKCLHSSE-UHFFFAOYSA-N -1 3 364.804 3.488 20 0 FGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)NCCCCC(C)(C)C)ccc1F ZINC000729389343 722459271 /nfs/dbraw/zinc/45/92/71/722459271.db2.gz ZTKKBCRNBSBSMD-UHFFFAOYSA-N -1 3 372.506 3.459 20 0 FGADHM COc1ccccc1C(=O)COC(=O)c1cccc(Br)c1[O-] ZINC000730365884 722467974 /nfs/dbraw/zinc/46/79/74/722467974.db2.gz XRXKNAITJXDGHI-UHFFFAOYSA-N -1 3 365.179 3.203 20 0 FGADHM C[C@@H](NC(=O)c1nnc2ccccc2c1[O-])c1nc2ccccc2s1 ZINC000734179209 722505030 /nfs/dbraw/zinc/50/50/30/722505030.db2.gz VBXKWOCYMSKKEF-SNVBAGLBSA-N -1 3 350.403 3.436 20 0 FGADHM O=S(=O)([N-][C@@H]1C[C@@H]1Cc1ccccc1)c1cnc(Cl)c(Cl)c1 ZINC000742309637 722554977 /nfs/dbraw/zinc/55/49/77/722554977.db2.gz RSVDIPJJPSYXCD-SMDDNHRTSA-N -1 3 357.262 3.298 20 0 FGADHM O=S(=O)([N-][C@@H]1C[C@@H]1Cc1ccccc1)c1ccc(Cl)nc1Cl ZINC000742309680 722554987 /nfs/dbraw/zinc/55/49/87/722554987.db2.gz SWGFRSDKCMXAIM-NWDGAFQWSA-N -1 3 357.262 3.298 20 0 FGADHM 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c1cc(CNc2ccc(N3CCSCC3)cc2)cc(-c2nn[n-]n2)c1 ZINC000823751337 729302937 /nfs/dbraw/zinc/30/29/37/729302937.db2.gz GMJSSPZRPXBSDJ-UHFFFAOYSA-N -1 3 352.467 3.032 20 0 FGADHM CC(C)[C@H](Sc1cccc(Cl)c1-c1nnn[n-]1)C(=O)N1CCCC1 ZINC000824206754 729324230 /nfs/dbraw/zinc/32/42/30/729324230.db2.gz HZNZYRMJYHZZJJ-AWEZNQCLSA-N -1 3 365.890 3.259 20 0 FGADHM CC(C)[C@H](Sc1cccc(Cl)c1-c1nn[n-]n1)C(=O)N1CCCC1 ZINC000824206754 729324231 /nfs/dbraw/zinc/32/42/31/729324231.db2.gz HZNZYRMJYHZZJJ-AWEZNQCLSA-N -1 3 365.890 3.259 20 0 FGADHM C[C@@H](CN(C)c1c(-c2nnn[n-]2)cnc2ccccc21)c1nccs1 ZINC000824412998 729336744 /nfs/dbraw/zinc/33/67/44/729336744.db2.gz IHCCQPPCYJEQCW-NSHDSACASA-N -1 3 351.439 3.111 20 0 FGADHM C[C@@H](CN(C)c1c(-c2nn[n-]n2)cnc2ccccc21)c1nccs1 ZINC000824412998 729336745 /nfs/dbraw/zinc/33/67/45/729336745.db2.gz IHCCQPPCYJEQCW-NSHDSACASA-N -1 3 351.439 3.111 20 0 FGADHM C[C@@H]1C[C@@H](CCNc2ccc(-c3nn[n-]n3)cc2Br)CCO1 ZINC000824883341 729363612 /nfs/dbraw/zinc/36/36/12/729363612.db2.gz 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742376346 /nfs/dbraw/zinc/37/63/46/742376346.db2.gz NLAJRBJMFLIYMR-NSHDSACASA-N -1 3 369.828 3.046 20 0 FGADHM CCOC(=O)c1nnc([C@H](CC(C)C)NCc2ccnc(Cl)c2F)[n-]1 ZINC000895105502 742376352 /nfs/dbraw/zinc/37/63/52/742376352.db2.gz NLAJRBJMFLIYMR-NSHDSACASA-N -1 3 369.828 3.046 20 0 FGADHM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NCc2ccnc(Cl)c2F)n1 ZINC000895105502 742376362 /nfs/dbraw/zinc/37/63/62/742376362.db2.gz NLAJRBJMFLIYMR-NSHDSACASA-N -1 3 369.828 3.046 20 0 FGADHM O=c1cc(N2CC[C@@H](Nc3nnc(-c4ccccc4Cl)s3)C2)nc[n-]1 ZINC000897347861 742670650 /nfs/dbraw/zinc/67/06/50/742670650.db2.gz VRUORGMKHMZCKT-SNVBAGLBSA-N -1 3 374.857 3.045 20 0 FGADHM O=C(CCc1ccc(Cl)c(Cl)c1)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000898213478 742758912 /nfs/dbraw/zinc/75/89/12/742758912.db2.gz WSHFAJLIOQPEMX-NSHDSACASA-N -1 3 354.237 3.371 20 0 FGADHM O=C([C@@H]1CC[C@H]1c1ccc(Cl)cc1F)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000898220619 742761111 /nfs/dbraw/zinc/76/11/11/742761111.db2.gz AYEDYYUSBFOURJ-VHRBIJSZSA-N -1 3 363.820 3.418 20 0 FGADHM Cc1cc(=O)[n-]c(CNC(=O)CCC(=O)c2cc(Cl)sc2Cl)n1 ZINC000898261505 742765663 /nfs/dbraw/zinc/76/56/63/742765663.db2.gz CBOSHCUWKQAISC-UHFFFAOYSA-N -1 3 374.249 3.138 20 0 FGADHM Cc1cc(=O)[n-]c(CNC(=O)[C@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)n1 ZINC000898263111 742765846 /nfs/dbraw/zinc/76/58/46/742765846.db2.gz QYBNGCMSBQLVQP-STQMWFEESA-N -1 3 352.221 3.217 20 0 FGADHM CC(C)c1nc([C@H](CO)NC(=O)CCCc2ccc([O-])c(F)c2)cs1 ZINC000898375452 742784463 /nfs/dbraw/zinc/78/44/63/742784463.db2.gz PFKNGBFNDGMZIK-AWEZNQCLSA-N -1 3 366.458 3.284 20 0 FGADHM O=C(Nc1cc2c(cc1Cl)OCCCO2)c1cnc(C2CC2)[n-]c1=O ZINC000900046402 743049427 /nfs/dbraw/zinc/04/94/27/743049427.db2.gz ZAHOVRPUTIHDSY-UHFFFAOYSA-N -1 3 361.785 3.127 20 0 FGADHM COc1cc(Cl)c(CNCCc2nc(C(=O)[O-])c(C)s2)cc1OC ZINC000900059195 743053317 /nfs/dbraw/zinc/05/33/17/743053317.db2.gz JTGWXHIBGZXCSJ-UHFFFAOYSA-N -1 3 370.858 3.153 20 0 FGADHM Cc1cc(SC(C)(C)C)ccc1NC(=O)N[C@@H](CN(C)C)C(=O)[O-] ZINC000900332990 743095166 /nfs/dbraw/zinc/09/51/66/743095166.db2.gz IUTJJCFURMESKF-AWEZNQCLSA-N -1 3 353.488 3.022 20 0 FGADHM O=C([N-]c1nc(Cc2ccccc2)ns1)c1cnc(NC2CC2)s1 ZINC000900619654 743137275 /nfs/dbraw/zinc/13/72/75/743137275.db2.gz UWNMOLMJVFITAL-UHFFFAOYSA-N -1 3 357.464 3.412 20 0 FGADHM Cc1nc(CC(C)C)c(C(=O)[N-]c2nc(-c3cnn(C)c3)ns2)s1 ZINC000900797119 743169895 /nfs/dbraw/zinc/16/98/95/743169895.db2.gz DKOAWEDEVCOPCL-UHFFFAOYSA-N -1 3 362.484 3.154 20 0 FGADHM O=C([O-])c1csc(CN2CCC[C@H](CNC(=O)c3ccccc3)C2)c1 ZINC000901428117 743276644 /nfs/dbraw/zinc/27/66/44/743276644.db2.gz DMUUHPIZDGMCAD-CQSZACIVSA-N -1 3 358.463 3.088 20 0 FGADHM O=C([O-])c1ccc(-c2ccc(CN3CCS[C@@H]4COCC[C@@H]43)o2)cc1 ZINC000901436646 743279014 /nfs/dbraw/zinc/27/90/14/743279014.db2.gz KDNBHYXRBHXKRD-FUHWJXTLSA-N -1 3 359.447 3.351 20 0 FGADHM Cc1nn(-c2cccc(Br)c2)cc1CN(C)C[C@@H](C)C(=O)[O-] ZINC000901598078 743596364 /nfs/dbraw/zinc/59/63/64/743596364.db2.gz SLJDCRGMURGVOJ-LLVKDONJSA-N -1 3 366.259 3.096 20 0 FGADHM CC1(C)CCC[C@H](CS(=O)(=O)[N-]c2ccc(N=S(C)(C)=O)cc2)O1 ZINC000901674780 743615110 /nfs/dbraw/zinc/61/51/10/743615110.db2.gz KTPALUFFCBDIAQ-OAHLLOKOSA-N -1 3 374.528 3.135 20 0 FGADHM CCCc1ccccc1S(=O)(=O)[N-]c1ccc(C(=O)N(C)C)cc1F ZINC000901676325 743616238 /nfs/dbraw/zinc/61/62/38/743616238.db2.gz XWFDSWBYUVUKIG-UHFFFAOYSA-N -1 3 364.442 3.281 20 0 FGADHM COc1ccc(-c2ccncc2)cc1CN[C@H](CC(F)(F)F)C(=O)[O-] ZINC000901777354 743638431 /nfs/dbraw/zinc/63/84/31/743638431.db2.gz AYJZQYSNWMFKBT-CQSZACIVSA-N -1 3 354.328 3.252 20 0 FGADHM Cc1ccc(-c2n[nH]cc2CN2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)cc1 ZINC000901787786 743640792 /nfs/dbraw/zinc/64/07/92/743640792.db2.gz RZAWXOXCKPFPLE-MRXNPFEDSA-N -1 3 353.344 3.224 20 0 FGADHM CCOCc1cc(CN2CC[C@](C(=O)[O-])(C(F)(F)F)C2)ccc1OC ZINC000901790157 743642368 /nfs/dbraw/zinc/64/23/68/743642368.db2.gz UHUDCBSCHODZPS-INIZCTEOSA-N -1 3 361.360 3.071 20 0 FGADHM Cc1ccc([N-]S(=O)(=O)c2cc(C3CC3)nn2C)c(Br)c1 ZINC000901821224 743646452 /nfs/dbraw/zinc/64/64/52/743646452.db2.gz GDLSCHRPXWLOKN-UHFFFAOYSA-N -1 3 370.272 3.169 20 0 FGADHM O=C([O-])[C@@H]1CSCCN(Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC000901889733 743668208 /nfs/dbraw/zinc/66/82/08/743668208.db2.gz CXUKKXDRAOVERP-NSHDSACASA-N -1 3 367.364 3.016 20 0 FGADHM CC[C@H](C)Oc1cc(CN2CCSC[C@@H](C(=O)[O-])C2)ccc1OC ZINC000901890468 743668285 /nfs/dbraw/zinc/66/82/85/743668285.db2.gz MVMSQMILVSUKDB-ZFWWWQNUSA-N -1 3 353.484 3.122 20 0 FGADHM COc1cc(CN2C[C@H](C(=O)[O-])[C@@H](c3ccc(Cl)cc3)C2)sn1 ZINC000901894348 743670224 /nfs/dbraw/zinc/67/02/24/743670224.db2.gz RETMWQKXJAMSGG-KGLIPLIRSA-N -1 3 352.843 3.105 20 0 FGADHM COc1ccc(CN(C)[C@H](Cc2ccccc2)C(=O)[O-])c(Cl)c1OC ZINC000902004289 743696753 /nfs/dbraw/zinc/69/67/53/743696753.db2.gz IGCHBJUGEPPGAG-OAHLLOKOSA-N -1 3 363.841 3.485 20 0 FGADHM CCc1oc(CNCCOc2ccc(Br)cc2)cc1C(=O)[O-] ZINC000902194995 743720428 /nfs/dbraw/zinc/72/04/28/743720428.db2.gz CUTSIBCNOGTEGW-UHFFFAOYSA-N -1 3 368.227 3.471 20 0 FGADHM COC(=O)c1cc(C)nc2nc(SCCCC(C)(F)F)[n-]c(=O)c21 ZINC000902224453 743723991 /nfs/dbraw/zinc/72/39/91/743723991.db2.gz JGLVQKYZPWDFOE-UHFFFAOYSA-N -1 3 357.382 3.353 20 0 FGADHM CC(C)(O)CC[N-]C(=O)C(F)(F)c1ncc(C(F)(F)F)cc1Cl ZINC000902924085 743789057 /nfs/dbraw/zinc/78/90/57/743789057.db2.gz ZRJSVFLDOCIKGA-UHFFFAOYSA-N -1 3 360.710 3.123 20 0 FGADHM CC(C)c1nccn1Cc1cccc([N-]S(=O)(=O)CC2(F)CC2)c1 ZINC000903599984 743860476 /nfs/dbraw/zinc/86/04/76/743860476.db2.gz DZGGKVIEAUAVRZ-UHFFFAOYSA-N -1 3 351.447 3.299 20 0 FGADHM O=C([O-])[C@@H]1CCN(Cc2ccccc2Br)[C@@H]([C@H]2CCCO2)C1 ZINC000903942176 743902265 /nfs/dbraw/zinc/90/22/65/743902265.db2.gz BAGJFKDYFFOPJN-DAXOMENPSA-N -1 3 368.271 3.293 20 0 FGADHM O=C([O-])c1ccc(CN2CC[C@@H](c3nccc(C(F)(F)F)n3)C2)s1 ZINC000903945175 743902989 /nfs/dbraw/zinc/90/29/89/743902989.db2.gz RFSYXCOQPZZONS-SECBINFHSA-N -1 3 357.357 3.245 20 0 FGADHM Cc1ccccc1C[C@H](CNCc1c(Cl)nc(Cl)n1C)C(=O)[O-] ZINC000903994135 743910125 /nfs/dbraw/zinc/91/01/25/743910125.db2.gz PJUTWXXBKDAHHE-GFCCVEGCSA-N -1 3 356.253 3.068 20 0 FGADHM O=C([O-])C1CCN(c2ccc(CNC[C@H]3CCCCC3(F)F)o2)CC1 ZINC000904244899 743941947 /nfs/dbraw/zinc/94/19/47/743941947.db2.gz VJJUCADXFNSTME-CQSZACIVSA-N -1 3 356.413 3.496 20 0 FGADHM CC[C@@H](NCc1ccc(N2CCC(C(=O)[O-])CC2)o1)[C@@H]1CCCCO1 ZINC000904251398 743942351 /nfs/dbraw/zinc/94/23/51/743942351.db2.gz KCWXLIAEEHKPPF-SJORKVTESA-N -1 3 350.459 3.018 20 0 FGADHM C[C@]12CSC[C@H]1CN(Cc1ccc(C(=O)[O-])c(Br)c1)C2 ZINC000905811568 744058323 /nfs/dbraw/zinc/05/83/23/744058323.db2.gz XMEWDOXOPHBBRJ-ABAIWWIYSA-N -1 3 356.285 3.332 20 0 FGADHM Cc1ncsc1C[N-]C(=O)C(F)(F)c1ncccc1Br ZINC000906572838 744144415 /nfs/dbraw/zinc/14/44/15/744144415.db2.gz HOGMRZHGUOXGSJ-UHFFFAOYSA-N -1 3 362.199 3.017 20 0 FGADHM CC[C@H]1CN(C(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)C[C@H](C)O1 ZINC000906643553 744151089 /nfs/dbraw/zinc/15/10/89/744151089.db2.gz GVFMZXWCZWIUMY-QWRGUYRKSA-N -1 3 355.460 3.130 20 0 FGADHM C[C@@H]1SCCN(C(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)[C@H]1C ZINC000906735166 744156439 /nfs/dbraw/zinc/15/64/39/744156439.db2.gz DHGXCCWFUOUZSL-UWVGGRQHSA-N -1 3 357.501 3.456 20 0 FGADHM CC[C@@H](NC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1)[C@H]1CCCO1 ZINC000907128067 744187829 /nfs/dbraw/zinc/18/78/29/744187829.db2.gz IYIKDDDMBRCQEM-GHMZBOCLSA-N -1 3 355.460 3.178 20 0 FGADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@H](C)c2cncs2)s1 ZINC000907933509 744248749 /nfs/dbraw/zinc/24/87/49/744248749.db2.gz WYKDQNKQVWXDPP-SSDOTTSWSA-N -1 3 367.315 3.315 20 0 FGADHM O=C(c1cnc(C2CC2)[n-]c1=O)N1CCc2cc(Br)ccc2C1 ZINC000907688515 744229369 /nfs/dbraw/zinc/22/93/69/744229369.db2.gz JXIHOEZSWIEMAM-UHFFFAOYSA-N -1 3 374.238 3.021 20 0 FGADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N2CCCCC[C@@H]2CCO)s1 ZINC000908074610 744258007 /nfs/dbraw/zinc/25/80/07/744258007.db2.gz BKLAAUSIJIBZFS-GFCCVEGCSA-N -1 3 369.487 3.257 20 0 FGADHM CCCN(CC(=O)[O-])C(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000908749069 744314645 /nfs/dbraw/zinc/31/46/45/744314645.db2.gz MMGPHSBGYQZYCD-HNNXBMFYSA-N -1 3 367.515 3.027 20 0 FGADHM CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)CN1CCC[C@@H](C(=O)[O-])C1 ZINC000908750268 744314864 /nfs/dbraw/zinc/31/48/64/744314864.db2.gz GCZMGXGACSHZCQ-CYBMUJFWSA-N -1 3 373.280 3.139 20 0 FGADHM CC[C@@H]1CN(CC)CCN1C(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000909212825 744347097 /nfs/dbraw/zinc/34/70/97/744347097.db2.gz WTJZDYOFFHWDOK-GFCCVEGCSA-N -1 3 368.503 3.046 20 0 FGADHM CC(C)N1CCC[C@@H]1C(=O)N[C@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000909758110 744389043 /nfs/dbraw/zinc/38/90/43/744389043.db2.gz KCOAOILMOILODX-PBHICJAKSA-N -1 3 373.280 3.282 20 0 FGADHM CCCc1ccccc1C(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000936049060 761999865 /nfs/dbraw/zinc/99/98/65/761999865.db2.gz PLUXOTOEWCQWSP-CYBMUJFWSA-N -1 3 356.388 3.170 20 0 FGADHM CCN(CC)[C@H](CNC(=O)/C=C\c1cc(C(=O)[O-])co1)c1ccsc1 ZINC000911190981 757127218 /nfs/dbraw/zinc/12/72/18/757127218.db2.gz KPCIULBTVQLUFR-OGZRUICASA-N -1 3 362.451 3.252 20 0 FGADHM CN(C)C[C@H](NC(=O)c1ccc(C(=O)[O-])s1)c1ccc(Cl)cc1 ZINC000911393145 757160060 /nfs/dbraw/zinc/16/00/60/757160060.db2.gz QZYACXSDBQJMDX-LBPRGKRZSA-N -1 3 352.843 3.132 20 0 FGADHM O=C([N-]c1nn(CC(F)(F)F)cc1Cl)c1ncoc1C(F)(F)F ZINC000911431448 757162836 /nfs/dbraw/zinc/16/28/36/757162836.db2.gz VAPWSFITZPHFBU-UHFFFAOYSA-N -1 3 362.617 3.358 20 0 FGADHM O=C(CCOc1cccc(Cl)c1Cl)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000911852231 757222739 /nfs/dbraw/zinc/22/27/39/757222739.db2.gz LEMJQVABTMSSAB-JTQLQIEISA-N -1 3 370.236 3.207 20 0 FGADHM CC[C@@H](O)[C@@H]1CCCCN1C(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000912112814 757270613 /nfs/dbraw/zinc/27/06/13/757270613.db2.gz UMSIESSRETWGEN-NWDGAFQWSA-N -1 3 369.487 3.256 20 0 FGADHM C[C@H]1CCCN(C(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)[C@@H]1CCO ZINC000912402779 757322414 /nfs/dbraw/zinc/32/24/14/757322414.db2.gz GHISWEVURKOSJZ-NWDGAFQWSA-N -1 3 369.487 3.113 20 0 FGADHM C[C@H](OC(=O)c1cc2ccsc2[n-]1)C(=O)NC(=O)Nc1ccccc1 ZINC000914890854 757855913 /nfs/dbraw/zinc/85/59/13/757855913.db2.gz IIHYNYYZTMGMDE-JTQLQIEISA-N -1 3 357.391 3.123 20 0 FGADHM COc1ccccc1CN(C)C(=O)COC(=O)c1cc2ccsc2[n-]1 ZINC000914891751 757855965 /nfs/dbraw/zinc/85/59/65/757855965.db2.gz SFTXQDZYKJWDHV-UHFFFAOYSA-N -1 3 358.419 3.053 20 0 FGADHM O=S(=O)([N-]Cc1ccc(F)cc1C(F)(F)F)c1ccc(Cl)nc1 ZINC000917896280 758281546 /nfs/dbraw/zinc/28/15/46/758281546.db2.gz WWYLCOOPGAFDEZ-UHFFFAOYSA-N -1 3 368.739 3.371 20 0 FGADHM O=C(NCCOc1cccc(Cl)c1Cl)c1cc2c(cc1[O-])OCO2 ZINC000919837751 758480115 /nfs/dbraw/zinc/48/01/15/758480115.db2.gz HXSKPQBUFWLMSZ-UHFFFAOYSA-N -1 3 370.188 3.237 20 0 FGADHM O=S(=O)([N-][C@H]1c2ccccc2OC[C@@H]1F)c1cscc1C(F)F ZINC000921318468 758686651 /nfs/dbraw/zinc/68/66/51/758686651.db2.gz XSWVNODPFIYTIY-GWCFXTLKSA-N -1 3 363.382 3.436 20 0 FGADHM CC[C@@]1(C(=O)[O-])CCCN([C@H](C)C(=O)N2CCSc3ccccc32)C1 ZINC000923468665 759124494 /nfs/dbraw/zinc/12/44/94/759124494.db2.gz OKASYCCSHASQDV-AUUYWEPGSA-N -1 3 362.495 3.091 20 0 FGADHM CC[C@]1(C(=O)[O-])CCCN([C@@H](C)C(=O)Nc2cccc(SC)c2)C1 ZINC000923468412 759124687 /nfs/dbraw/zinc/12/46/87/759124687.db2.gz NTEFOVQGQTZRIX-UGSOOPFHSA-N -1 3 350.484 3.312 20 0 FGADHM COc1cccc([O-])c1C(=O)N1CCC[C@@H](c2nc3c(s2)CCC3)C1 ZINC000928249388 760124524 /nfs/dbraw/zinc/12/45/24/760124524.db2.gz MECFMPHUQDIAFS-GFCCVEGCSA-N -1 3 358.463 3.366 20 0 FGADHM CCCCCc1nnc([N-]C(=O)c2ccnc(-c3ccccn3)n2)s1 ZINC000930420313 760604877 /nfs/dbraw/zinc/60/48/77/760604877.db2.gz QTXUZKFVPGUHQE-UHFFFAOYSA-N -1 3 354.439 3.375 20 0 FGADHM Cc1cc(C(F)(F)C(=O)[N-][C@@H](C)C(=O)N2CCCC[C@H]2C)cnc1Cl ZINC000932725417 761229358 /nfs/dbraw/zinc/22/93/58/761229358.db2.gz OJCKHUGJFDZLSV-NEPJUHHUSA-N -1 3 373.831 3.041 20 0 FGADHM Cc1cc(C(F)(F)C(=O)[N-]C[C@@H](O)c2ccc(F)cc2)cnc1Cl ZINC000934755599 761706646 /nfs/dbraw/zinc/70/66/46/761706646.db2.gz RUQKDDXDDWCQMN-CYBMUJFWSA-N -1 3 358.747 3.124 20 0 FGADHM O=C(N[C@@H]1CCCC[C@H]1[N-]C(=O)C(F)F)c1ccsc1C(F)(F)F ZINC000976120542 763263999 /nfs/dbraw/zinc/26/39/99/763263999.db2.gz HCKYTXLOKYKLMG-RKDXNWHRSA-N -1 3 370.343 3.189 20 0 FGADHM C[C@@H]1[C@@H](NC(=O)c2ccc(Cl)s2)CCN1C(=O)c1ccccc1[O-] ZINC000990186280 764523450 /nfs/dbraw/zinc/52/34/50/764523450.db2.gz UBRIQIDGJQZXLL-PWSUYJOCSA-N -1 3 364.854 3.140 20 0 FGADHM C[C@@H]1[C@@H](NC(=O)c2ccccc2[O-])CCN1c1nc2ccccc2s1 ZINC001050047463 766817796 /nfs/dbraw/zinc/81/77/96/766817796.db2.gz PEADGBWFDCJXEP-OCCSQVGLSA-N -1 3 353.447 3.399 20 0 FGADHM O=C(Nc1ccn(CCc2ccncc2)n1)c1cc2c(cc1[O-])CCCC2 ZINC000110630928 209324635 /nfs/dbraw/zinc/32/46/35/209324635.db2.gz DQTTXRKVSKSNTJ-UHFFFAOYSA-N -1 3 362.433 3.358 20 0 FGADHM O=S(=O)([N-][C@H]1CCc2ccccc2C1)c1ccc(Br)s1 ZINC000047826588 209328008 /nfs/dbraw/zinc/32/80/08/209328008.db2.gz NARYHFGKAKLXPQ-LBPRGKRZSA-N -1 3 372.309 3.346 20 0 FGADHM COC(=O)c1c(C)nc(=O)[n-]c1SCc1ccc(Cl)c(Cl)c1 ZINC000006657516 207152440 /nfs/dbraw/zinc/15/24/40/207152440.db2.gz OCCAGOSQCSOFLB-UHFFFAOYSA-N -1 3 359.234 3.464 20 0 FGADHM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2F)cc1 ZINC000007403693 207195855 /nfs/dbraw/zinc/19/58/55/207195855.db2.gz XDXQALLEWYCVON-UHFFFAOYSA-N -1 3 357.790 3.457 20 0 FGADHM CN(C(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1cc(Cl)cc(Cl)c1 ZINC000736739838 598823080 /nfs/dbraw/zinc/82/30/80/598823080.db2.gz URBUDKDMTNOPPV-UHFFFAOYSA-N -1 3 362.220 3.379 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)COc3ccc(F)cc3)c2)n1 ZINC000049302621 257344857 /nfs/dbraw/zinc/34/48/57/257344857.db2.gz ZHYDOIIXDOMABB-UHFFFAOYSA-N -1 3 367.380 3.156 20 0 FGADHM CN(C(=O)c1csc(=O)[n-]1)[C@@H](c1ccc(Cl)cc1)c1ncccn1 ZINC000376760085 257501730 /nfs/dbraw/zinc/50/17/30/257501730.db2.gz YORSYUBSHGGNOH-ZDUSSCGKSA-N -1 3 360.826 3.154 20 0 FGADHM CC[C@@H]1CC[C@H](C)N1C(=O)Cc1csc(NC(=O)c2cccc([O-])c2)n1 ZINC000540123017 503679240 /nfs/dbraw/zinc/67/92/40/503679240.db2.gz KVALBQYBHGJNMI-SWLSCSKDSA-N -1 3 373.478 3.433 20 0 FGADHM CCC(CC)(C(=O)N=c1[n-]n(C)cc1Br)c1ccccc1 ZINC000567932194 505578176 /nfs/dbraw/zinc/57/81/76/505578176.db2.gz IPQZRMYFTQSDFS-UHFFFAOYSA-N -1 3 350.260 3.301 20 0 FGADHM Cc1ccc(NC(=O)[C@H](C)N2C[C@H](C(=O)[O-])[C@@H](c3ccccc3)C2)c(C)c1 ZINC000579591456 505582029 /nfs/dbraw/zinc/58/20/29/505582029.db2.gz QWCJCOXBGVAUEF-UHOSZYNNSA-N -1 3 366.461 3.431 20 0 FGADHM COC(=O)c1nc[n-]c1NC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl ZINC000579608291 505586448 /nfs/dbraw/zinc/58/64/48/505586448.db2.gz OLMLRCBVJLCHMX-RKDXNWHRSA-N -1 3 354.193 3.245 20 0 FGADHM COC(=O)c1[n-]cnc1NC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl ZINC000579608291 505586452 /nfs/dbraw/zinc/58/64/52/505586452.db2.gz OLMLRCBVJLCHMX-RKDXNWHRSA-N -1 3 354.193 3.245 20 0 FGADHM O=C(c1csc(=NC2CC2)[n-]1)N1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000573659898 505589808 /nfs/dbraw/zinc/58/98/08/505589808.db2.gz VZIDCMOKHVSYSM-INIZCTEOSA-N -1 3 367.478 3.383 20 0 FGADHM COC(=O)[C@@H](C)Cc1ccc([N-]S(=O)(=O)c2ccc(C)cc2C)cc1 ZINC000576793245 505595188 /nfs/dbraw/zinc/59/51/88/505595188.db2.gz SGMKRNXZZTVBRM-HNNXBMFYSA-N -1 3 361.463 3.456 20 0 FGADHM CN1C(=O)CN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)[C@H]1c1ccccc1 ZINC000573700825 505600036 /nfs/dbraw/zinc/60/00/36/505600036.db2.gz GVOBIUFBRNDBKP-NRFANRHFSA-N -1 3 374.400 3.054 20 0 FGADHM Cc1sc(Br)c(C(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)c1C ZINC000576930500 505627081 /nfs/dbraw/zinc/62/70/81/505627081.db2.gz RAMVZUWJWHTNKS-SNVBAGLBSA-N -1 3 370.272 3.376 20 0 FGADHM Cc1csc(S(=O)(=O)[N-][C@H](Cc2nc(C)no2)c2ccccc2)c1 ZINC000571017594 505633436 /nfs/dbraw/zinc/63/34/36/505633436.db2.gz JXSCHVUVDRLKSV-CQSZACIVSA-N -1 3 363.464 3.010 20 0 FGADHM O=C(NCCCCOCCc1ccccc1)c1c[n-]nc1-c1ccccn1 ZINC000574005078 505671010 /nfs/dbraw/zinc/67/10/10/505671010.db2.gz CNQMCBPOFPVQCK-UHFFFAOYSA-N -1 3 364.449 3.241 20 0 FGADHM CCc1ncc(S(=O)(=O)[N-][C@@H](COC)c2cccc(Cl)c2)s1 ZINC000580058717 505671442 /nfs/dbraw/zinc/67/14/42/505671442.db2.gz AHTOCRNZBFUJLO-LBPRGKRZSA-N -1 3 360.888 3.025 20 0 FGADHM O=C([O-])c1cnc2ccccc2c1N1CCCN(CC(F)(F)F)CC1 ZINC000580080077 505673923 /nfs/dbraw/zinc/67/39/23/505673923.db2.gz OWMHKNFJOGWXRZ-UHFFFAOYSA-N -1 3 353.344 3.007 20 0 FGADHM CC(C)(CO)[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)C1CC1 ZINC000577148950 505673992 /nfs/dbraw/zinc/67/39/92/505673992.db2.gz SOXUNJUTKVLASD-ZDUSSCGKSA-N -1 3 352.283 3.069 20 0 FGADHM O=C(NCCc1ccc(Cl)cc1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000048014631 493772945 /nfs/dbraw/zinc/77/29/45/493772945.db2.gz JFUBGSXMDZJIFW-QGZVFWFLSA-N -1 3 372.852 3.009 20 0 FGADHM COc1ccccc1-c1nc(NC(=O)c2cccc(Br)c2)n[n-]1 ZINC000048012101 493773183 /nfs/dbraw/zinc/77/31/83/493773183.db2.gz ZWUITFIOWXCAIN-UHFFFAOYSA-N -1 3 373.210 3.495 20 0 FGADHM COC[C@@H]([N-]S(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccc(C)o1 ZINC000080789173 493778613 /nfs/dbraw/zinc/77/86/13/493778613.db2.gz DLRKIMXYPHTWMB-CYBMUJFWSA-N -1 3 363.357 3.273 20 0 FGADHM O=S(=O)([N-]CCc1ccc2c(c1)OCO2)c1c(Cl)cccc1Cl ZINC000057807649 493800976 /nfs/dbraw/zinc/80/09/76/493800976.db2.gz NAXPVSXNARECDL-UHFFFAOYSA-N -1 3 374.245 3.243 20 0 FGADHM CO[C@H](C)C(=O)Nc1cccc(NC(=O)c2c[n-]nc2-c2ccccc2)c1 ZINC000068461897 493825519 /nfs/dbraw/zinc/82/55/19/493825519.db2.gz WWFWYQGYEBUBSW-CYBMUJFWSA-N -1 3 364.405 3.302 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(NCc3ccc(COC)cc3)nc2)n1 ZINC000068664154 493853235 /nfs/dbraw/zinc/85/32/35/493853235.db2.gz LENGAXCAVSBMMF-UHFFFAOYSA-N -1 3 350.422 3.153 20 0 FGADHM CCOc1cccc(CNc2ccc(-c3nc(CC)cc(=O)[n-]3)cn2)c1 ZINC000068666852 493853904 /nfs/dbraw/zinc/85/39/04/493853904.db2.gz WMKFVCMHKUDILQ-UHFFFAOYSA-N -1 3 350.422 3.405 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCCc4sccc4C3)nc2)n1 ZINC000068703041 493859915 /nfs/dbraw/zinc/85/99/15/493859915.db2.gz OUNVEWTXJKNLQR-UHFFFAOYSA-N -1 3 352.463 3.409 20 0 FGADHM COCCCCC[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000058509273 493860997 /nfs/dbraw/zinc/86/09/97/493860997.db2.gz QGGHTXDXOLUHDH-UHFFFAOYSA-N -1 3 359.797 3.454 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H]3CCOc4ccc(F)cc43)nc2)n1 ZINC000068764743 493868778 /nfs/dbraw/zinc/86/87/78/493868778.db2.gz ZMFBRGMVGZUIEY-INIZCTEOSA-N -1 3 366.396 3.469 20 0 FGADHM O=S(=O)([N-][C@H](CN1CCCC1)c1ccccc1)c1cc(F)cc(F)c1 ZINC000030008234 493873430 /nfs/dbraw/zinc/87/34/30/493873430.db2.gz YIXBKTJGPHGMHI-GOSISDBHSA-N -1 3 366.433 3.080 20 0 FGADHM O=S(=O)([N-][C@@H](CN1CCCC1)c1ccccc1)c1c(F)cccc1F ZINC000030008175 493874040 /nfs/dbraw/zinc/87/40/40/493874040.db2.gz HQBMHMMYSWNYER-KRWDZBQOSA-N -1 3 366.433 3.080 20 0 FGADHM O=C(CCC1CC1)Nc1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1F ZINC000081414120 493889263 /nfs/dbraw/zinc/88/92/63/493889263.db2.gz DCRYCRJWDSDDIC-UHFFFAOYSA-N -1 3 360.838 3.049 20 0 FGADHM C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1[O-])NC(=O)C1CCCC1 ZINC000081458534 493896831 /nfs/dbraw/zinc/89/68/31/493896831.db2.gz SBJSIEXHXVIULR-JTQLQIEISA-N -1 3 358.360 3.435 20 0 FGADHM Cc1ccc(-c2noc(Cc3c(C)nc(C)[n-]c3=O)n2)cc1N1CCCC1 ZINC000580152383 505689105 /nfs/dbraw/zinc/68/91/05/505689105.db2.gz RCNLYBQMEIJWJR-UHFFFAOYSA-N -1 3 365.437 3.348 20 0 FGADHM O=C(N[C@H](Cc1ccccc1)C(=O)NCc1ccccc1)c1ccccc1[O-] ZINC000005933643 493946436 /nfs/dbraw/zinc/94/64/36/493946436.db2.gz AGUYIVGVJCRXGK-HXUWFJFHSA-N -1 3 374.440 3.050 20 0 FGADHM CN(C)C(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000031776438 493960094 /nfs/dbraw/zinc/96/00/94/493960094.db2.gz DHQNKXXJBRRKLU-UHFFFAOYSA-N -1 3 373.261 3.496 20 0 FGADHM Cc1ccc([C@@H]2CCCN2C(=O)c2ccc([N-]S(C)(=O)=O)cc2)cc1 ZINC000031939723 493966202 /nfs/dbraw/zinc/96/62/02/493966202.db2.gz RRPPAKNMIXOSKA-SFHVURJKSA-N -1 3 358.463 3.344 20 0 FGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1cc2ccc(Cl)cc2[nH]1 ZINC000032332291 493982340 /nfs/dbraw/zinc/98/23/40/493982340.db2.gz DSKITWWZVYOZTH-UHFFFAOYSA-N -1 3 363.826 3.445 20 0 FGADHM C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000574099438 505693051 /nfs/dbraw/zinc/69/30/51/505693051.db2.gz VTQQVTYRLOLGJX-ZBEGNZNMSA-N -1 3 373.840 3.315 20 0 FGADHM Cc1ccc(NC(=O)C(C)(C)C)cc1[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000076937539 493992556 /nfs/dbraw/zinc/99/25/56/493992556.db2.gz DEXFXRPMJYOFTD-HNNXBMFYSA-N -1 3 368.499 3.290 20 0 FGADHM CC(=O)NCc1ccc(S(=O)(=O)[N-][C@@H](C)c2ccccc2Cl)s1 ZINC000032551122 493997551 /nfs/dbraw/zinc/99/75/51/493997551.db2.gz XIEGSDNNSSWRCU-JTQLQIEISA-N -1 3 372.899 3.077 20 0 FGADHM CC(C)(C)c1ccc(NC(=O)C[C@H](NC(N)=O)c2ccccc2)c([O-])c1 ZINC000574101911 505694003 /nfs/dbraw/zinc/69/40/03/505694003.db2.gz TYHHAPJXQOCYNX-INIZCTEOSA-N -1 3 355.438 3.428 20 0 FGADHM CC(C)Nc1ccc(C(=O)Nc2nnc(-c3c(F)cccc3F)[n-]2)cn1 ZINC000084405029 494070010 /nfs/dbraw/zinc/07/00/10/494070010.db2.gz HJRFLPFDRAJSOD-UHFFFAOYSA-N -1 3 358.352 3.218 20 0 FGADHM CC(C)Nc1ccc(C(=O)Nc2nc(-c3c(F)cccc3F)n[n-]2)cn1 ZINC000084405029 494070014 /nfs/dbraw/zinc/07/00/14/494070014.db2.gz HJRFLPFDRAJSOD-UHFFFAOYSA-N -1 3 358.352 3.218 20 0 FGADHM CC(C)Nc1ccc(C(=O)Nc2n[n-]c(-c3c(F)cccc3F)n2)cn1 ZINC000084405029 494070015 /nfs/dbraw/zinc/07/00/15/494070015.db2.gz HJRFLPFDRAJSOD-UHFFFAOYSA-N -1 3 358.352 3.218 20 0 FGADHM CC(C)c1cccc(-n2cc([O-])c(C(=O)N(C)[C@H]3CCN(C)C[C@@H]3C)n2)c1 ZINC000084404881 494070466 /nfs/dbraw/zinc/07/04/66/494070466.db2.gz VJZINMKBRJAAJK-YJBOKZPZSA-N -1 3 370.497 3.114 20 0 FGADHM O=S(=O)([N-]CCCOc1ccc(F)cc1)c1cccc(Cl)c1F ZINC000063766503 494085368 /nfs/dbraw/zinc/08/53/68/494085368.db2.gz UXKHJFKTDOSUKK-UHFFFAOYSA-N -1 3 361.797 3.366 20 0 FGADHM C[C@H](C(=O)NCCNC(=O)c1ccc([O-])cc1)c1ccc2ccccc2c1 ZINC000084631184 494089044 /nfs/dbraw/zinc/08/90/44/494089044.db2.gz MZEGMWNRDMRVKO-HNNXBMFYSA-N -1 3 362.429 3.195 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]C2CCN(c3ccccc3)CC2)c(F)cc1F ZINC000084661684 494090913 /nfs/dbraw/zinc/09/09/13/494090913.db2.gz NHTUOCNUTWSWPB-UHFFFAOYSA-N -1 3 366.433 3.221 20 0 FGADHM Cc1sc2[n-]c(CN(CCO)C3CC3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000071956017 494111492 /nfs/dbraw/zinc/11/14/92/494111492.db2.gz MEUOELXSSUFQJQ-UHFFFAOYSA-N -1 3 369.490 3.225 20 0 FGADHM O=C(C[C@@H]1CN(Cc2ccccc2)CCO1)Nc1cc(Cl)ccc1[O-] ZINC000038494896 494113773 /nfs/dbraw/zinc/11/37/73/494113773.db2.gz DPZRHOLUVCDMHW-MRXNPFEDSA-N -1 3 360.841 3.275 20 0 FGADHM Cc1ccc2ncc(C(=O)[O-])c(N3CC[C@@](CO)(c4ccccc4)C3)c2c1 ZINC000580196956 505701295 /nfs/dbraw/zinc/70/12/95/505701295.db2.gz 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ZINC000054113713 494195836 /nfs/dbraw/zinc/19/58/36/494195836.db2.gz UNIZCEQMLZLVHS-UHFFFAOYSA-N -1 3 363.240 3.403 20 0 FGADHM O=C(Nc1cc(Cl)ccc1[O-])[C@H]1CCN(c2ccc(F)c(F)c2)C1=O ZINC000054141308 494199706 /nfs/dbraw/zinc/19/97/06/494199706.db2.gz ONOSWLXAERWBEZ-LLVKDONJSA-N -1 3 366.751 3.315 20 0 FGADHM CCOc1cccc2cc([C@@H](C)[N-]S(=O)(=O)Cc3ccon3)oc21 ZINC000078051226 494217391 /nfs/dbraw/zinc/21/73/91/494217391.db2.gz KLYZEEOQOKROIY-LLVKDONJSA-N -1 3 350.396 3.000 20 0 FGADHM CCCNC(=O)c1cccc(CNC(=O)c2cc3c(cc2[O-])CCCC3)c1 ZINC000065618460 494220212 /nfs/dbraw/zinc/22/02/12/494220212.db2.gz RQRBKTPCOAJRAP-UHFFFAOYSA-N -1 3 366.461 3.341 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)NCc2ccccc2COC(C)C)c1 ZINC000065635614 494222515 /nfs/dbraw/zinc/22/25/15/494222515.db2.gz NRINQKCLSAQQEI-UHFFFAOYSA-N -1 3 356.422 3.206 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccc(Cl)c(F)c1 ZINC000577343178 505708346 /nfs/dbraw/zinc/70/83/46/505708346.db2.gz MJHHBKLSPCBOLG-JOYOIKCWSA-N -1 3 361.847 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CO[C@@H]([C@H](C)[N-]S(=O)(=O)c1ccc(-c2csc(C)n2)s1)C1CC1 ZINC000574369791 505756616 /nfs/dbraw/zinc/75/66/16/505756616.db2.gz UNARKRMGTSORPR-VFZGTOFNSA-N -1 3 372.537 3.272 20 0 FGADHM CCOc1ccccc1NC(=O)[C@H](C)Sc1n[n-]c(-c2ccccn2)n1 ZINC000097575643 495038268 /nfs/dbraw/zinc/03/82/68/495038268.db2.gz YFKMZKXNMJIDOS-LBPRGKRZSA-N -1 3 369.450 3.385 20 0 FGADHM Cc1csc([C@@H](C)[N-]S(=O)(=O)c2cc3c(c(Cl)c2)O[C@@H](C)C3)n1 ZINC000128107863 495045714 /nfs/dbraw/zinc/04/57/14/495045714.db2.gz HGVFWSVBFNHJSY-VHSXEESVSA-N -1 3 372.899 3.468 20 0 FGADHM O=C(Nc1cccc(C(=O)Nc2cccc([O-])c2F)c1)c1cccnc1 ZINC000128215823 495063015 /nfs/dbraw/zinc/06/30/15/495063015.db2.gz UVMRFGZZYTWURL-UHFFFAOYSA-N -1 3 351.337 3.431 20 0 FGADHM CCc1nc([C@@H](C)[N-]S(=O)(=O)c2cccc3c2N=S=N3)cs1 ZINC000111362931 495067387 /nfs/dbraw/zinc/06/73/87/495067387.db2.gz FEYAKXXZQYQMMH-MRVPVSSYSA-N -1 3 354.482 3.471 20 0 FGADHM Cc1ccccc1C1(CNC(=O)Cc2c(C)nc(C)[n-]c2=O)CCCCC1 ZINC000101520664 495070215 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COC1(C(F)(F)F)CCN(c2c(C(=O)[O-])cnc3ccccc32)CC1 ZINC000571566715 505762152 /nfs/dbraw/zinc/76/21/52/505762152.db2.gz VFYGGKQPUABBLN-UHFFFAOYSA-N -1 3 354.328 3.481 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3cc(-c4ccncc4)[nH]n3)c[n-]c12 ZINC000128649747 495129204 /nfs/dbraw/zinc/12/92/04/495129204.db2.gz SDHBNLMUSHWOFT-UHFFFAOYSA-N -1 3 363.352 3.013 20 0 FGADHM O=C(CCC1CCCC1)NCC(=O)Nc1ccc(Br)cc1[O-] ZINC000102331303 495129895 /nfs/dbraw/zinc/12/98/95/495129895.db2.gz UUEYNJVYLIXUQS-UHFFFAOYSA-N -1 3 369.259 3.180 20 0 FGADHM O=C(CCSCc1nc2ccccc2c(=O)[nH]1)Nc1cccc([O-])c1F ZINC000128671683 495133308 /nfs/dbraw/zinc/13/33/08/495133308.db2.gz CACLWTSEFVJHQW-UHFFFAOYSA-N -1 3 373.409 3.030 20 0 FGADHM CCCN(C(=O)c1cc(OC)ccc1[O-])[C@@H](C)C(=O)Nc1ccccc1 ZINC000102608474 495145721 /nfs/dbraw/zinc/14/57/21/495145721.db2.gz OEZOVVVWRLHJEZ-AWEZNQCLSA-N -1 3 356.422 3.280 20 0 FGADHM CC[C@@H](Cc1ccccc1)N(CC)C(=O)c1cnc2c(cnn2C)c1[O-] ZINC000119346744 495147507 /nfs/dbraw/zinc/14/75/07/495147507.db2.gz 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ZINC000119410810 495161895 /nfs/dbraw/zinc/16/18/95/495161895.db2.gz VLKINQASXPQEEM-LLVKDONJSA-N -1 3 368.405 3.387 20 0 FGADHM O=S(=O)(C[C@H]1CCCCO1)[N-]c1ccc(Cl)c(Br)c1 ZINC000123640125 495165182 /nfs/dbraw/zinc/16/51/82/495165182.db2.gz XJKMVWCVEGMBRD-SNVBAGLBSA-N -1 3 368.680 3.413 20 0 FGADHM O=C([N-]c1nc2ccc(F)cn2n1)c1cc(F)c(F)cc1Br ZINC000123689541 495171505 /nfs/dbraw/zinc/17/15/05/495171505.db2.gz DLAIAZALUWJKAJ-UHFFFAOYSA-N -1 3 371.116 3.161 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C[C@@H]2CCOC2)c2ccccc2)c1 ZINC000123729509 495176908 /nfs/dbraw/zinc/17/69/08/495176908.db2.gz XQSLVJKXKQMPKV-KXBFYZLASA-N -1 3 368.433 3.248 20 0 FGADHM CC[C@H](Oc1ccccc1Cl)C(=O)Nc1cc(-c2nccn2C)[n-]n1 ZINC000119517435 495181288 /nfs/dbraw/zinc/18/12/88/495181288.db2.gz BTQSXMNCGDHGIO-ZDUSSCGKSA-N -1 3 359.817 3.260 20 0 FGADHM CC[C@H](Oc1ccccc1Cl)C(=O)Nc1cc(-c2nccn2C)n[n-]1 ZINC000119517435 495181293 /nfs/dbraw/zinc/18/12/93/495181293.db2.gz BTQSXMNCGDHGIO-ZDUSSCGKSA-N -1 3 359.817 3.260 20 0 FGADHM Cc1ccc(C(=O)N(C)[C@H]2CCN(c3ccccc3F)C2=O)c([O-])c1C ZINC000112402639 495185262 /nfs/dbraw/zinc/18/52/62/495185262.db2.gz FWPCHVRUIADXOY-KRWDZBQOSA-N -1 3 356.397 3.026 20 0 FGADHM O=C(c1ccc2c(c1)C(=O)[N-]C2=O)N1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000119618308 495203453 /nfs/dbraw/zinc/20/34/53/495203453.db2.gz YNHDHKMLJPGEPZ-IBGZPJMESA-N -1 3 373.412 3.419 20 0 FGADHM COc1ccccc1CC(C)(C)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000112579210 495208414 /nfs/dbraw/zinc/20/84/14/495208414.db2.gz VWPTXFSMWIPPKE-UHFFFAOYSA-N -1 3 351.410 3.083 20 0 FGADHM COc1ccccc1CC(C)(C)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000112579210 495208419 /nfs/dbraw/zinc/20/84/19/495208419.db2.gz VWPTXFSMWIPPKE-UHFFFAOYSA-N -1 3 351.410 3.083 20 0 FGADHM COCc1cc(NC(=O)c2c[n-]nc2-c2ccccc2)cc(C(=O)OC)c1 ZINC000571590271 505767583 /nfs/dbraw/zinc/76/75/83/505767583.db2.gz QIHQLRXWOKUWCM-UHFFFAOYSA-N -1 3 365.389 3.262 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1occc1COc1ccccc1 ZINC000129245883 495216961 /nfs/dbraw/zinc/21/69/61/495216961.db2.gz FPIAXUMKURELBJ-UHFFFAOYSA-N -1 3 361.361 3.291 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1occc1COc1ccccc1 ZINC000129245883 495216966 /nfs/dbraw/zinc/21/69/66/495216966.db2.gz FPIAXUMKURELBJ-UHFFFAOYSA-N -1 3 361.361 3.291 20 0 FGADHM O=C(Cc1ccc(F)cc1)N1CCC[C@@H](C(=O)Nc2cccc([O-])c2F)C1 ZINC000129301540 495224865 /nfs/dbraw/zinc/22/48/65/495224865.db2.gz RHXOJGIDONAMRK-CQSZACIVSA-N -1 3 374.387 3.090 20 0 FGADHM CC(C)(CO)[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)s1)c1ccccc1 ZINC000129318296 495228123 /nfs/dbraw/zinc/22/81/23/495228123.db2.gz FQTLFGSBBQLPJE-ZDUSSCGKSA-N -1 3 373.927 3.482 20 0 FGADHM COc1ccc(C(=O)N[C@@H](C)c2cnn(Cc3ccccc3)c2)c([O-])c1 ZINC000124186403 495247820 /nfs/dbraw/zinc/24/78/20/495247820.db2.gz HXLUHDSBADEVED-AWEZNQCLSA-N -1 3 351.406 3.137 20 0 FGADHM CCCOc1ccc(C(=O)Nc2cc(-c3nccn3C)[n-]n2)cc1OCC ZINC000119842338 495253022 /nfs/dbraw/zinc/25/30/22/495253022.db2.gz VZPKHHDJDOBQCP-UHFFFAOYSA-N -1 3 369.425 3.250 20 0 FGADHM CCCOc1ccc(C(=O)Nc2cc(-c3nccn3C)n[n-]2)cc1OCC ZINC000119842338 495253024 /nfs/dbraw/zinc/25/30/24/495253024.db2.gz VZPKHHDJDOBQCP-UHFFFAOYSA-N -1 3 369.425 3.250 20 0 FGADHM COC(=O)Cc1n[n-]c(NC(=O)CCCCc2ccc(C(C)(C)C)cc2)n1 ZINC000135171258 495259133 /nfs/dbraw/zinc/25/91/33/495259133.db2.gz DYSUHIDEAMEVCY-UHFFFAOYSA-N -1 3 372.469 3.169 20 0 FGADHM COC(=O)Cc1nnc(NC(=O)CCCCc2ccc(C(C)(C)C)cc2)[n-]1 ZINC000135171258 495259134 /nfs/dbraw/zinc/25/91/34/495259134.db2.gz DYSUHIDEAMEVCY-UHFFFAOYSA-N -1 3 372.469 3.169 20 0 FGADHM COC(=O)Cc1nc(NC(=O)CCCCc2ccc(C(C)(C)C)cc2)n[n-]1 ZINC000135171258 495259137 /nfs/dbraw/zinc/25/91/37/495259137.db2.gz DYSUHIDEAMEVCY-UHFFFAOYSA-N -1 3 372.469 3.169 20 0 FGADHM CCOC(=O)c1ccc(NC(=O)c2cnn(-c3ccccc3F)c2)c([O-])c1 ZINC000129608408 495269664 /nfs/dbraw/zinc/26/96/64/495269664.db2.gz YIGZGCPHHZRVND-UHFFFAOYSA-N -1 3 369.352 3.146 20 0 FGADHM Cc1ccc(-n2cnnc2SCC(=O)Nc2cccc([O-])c2F)cc1C ZINC000129690107 495281890 /nfs/dbraw/zinc/28/18/90/495281890.db2.gz 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ZINC000104760282 495303474 /nfs/dbraw/zinc/30/34/74/495303474.db2.gz GTGUJZVNGSDGNX-LLVKDONJSA-N -1 3 374.459 3.037 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)c1ccccc1OC(F)F)c1nc(C)cs1 ZINC000104759709 495303630 /nfs/dbraw/zinc/30/36/30/495303630.db2.gz WPZPOTYEEGGUIM-JTQLQIEISA-N -1 3 362.423 3.483 20 0 FGADHM CCOc1cc(Cl)ccc1CNC(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000120110286 495309021 /nfs/dbraw/zinc/30/90/21/495309021.db2.gz XAYMZCASMGBLCS-UHFFFAOYSA-N -1 3 362.813 3.333 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCc4ccc(F)cc4C3)nc2)n1 ZINC000135557995 495310723 /nfs/dbraw/zinc/31/07/23/495310723.db2.gz DTKHXSLZZZPLHD-UHFFFAOYSA-N -1 3 350.397 3.096 20 0 FGADHM CCCS(=O)(=O)[N-]c1ccc(C(=O)Nc2c(C)noc2C2CC2)cc1 ZINC000135592250 495315187 /nfs/dbraw/zinc/31/51/87/495315187.db2.gz DRRJHVUTUDJJAR-UHFFFAOYSA-N -1 3 363.439 3.264 20 0 FGADHM CC(=O)NCc1ccc(-c2csc(NC(=O)c3cccc(C)c3[O-])n2)o1 ZINC000120203925 495327355 /nfs/dbraw/zinc/32/73/55/495327355.db2.gz JJGBJCOFJIEZPB-UHFFFAOYSA-N -1 3 371.418 3.306 20 0 FGADHM CCS(=O)(=O)c1ccccc1C(=O)[N-]c1nc(-c2ccccc2)ns1 ZINC000120387399 495366456 /nfs/dbraw/zinc/36/64/56/495366456.db2.gz DWGFEGZLGZYHBS-UHFFFAOYSA-N -1 3 373.459 3.251 20 0 FGADHM CC[C@H](O)[C@@H]1CCCCN1Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000114459154 495376976 /nfs/dbraw/zinc/37/69/76/495376976.db2.gz ZTIIGTYBRCGIKY-KBPBESRZSA-N -1 3 373.478 3.370 20 0 FGADHM C[C@H](c1ccccc1F)N1CCC[C@@H](NC(=O)c2cc([O-])ccc2F)C1=O ZINC000571631751 505778120 /nfs/dbraw/zinc/77/81/20/505778120.db2.gz DQAITUHTOJBUHC-KZULUSFZSA-N -1 3 374.387 3.152 20 0 FGADHM Cc1ccoc1CNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000568791884 505778127 /nfs/dbraw/zinc/77/81/27/505778127.db2.gz FTOIEEYNQKDNGV-UHFFFAOYSA-N -1 3 361.195 3.122 20 0 FGADHM COc1c(Cl)cccc1NC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000125051834 495382793 /nfs/dbraw/zinc/38/27/93/495382793.db2.gz NQVGIAOESKVYGA-UHFFFAOYSA-N -1 3 372.805 3.112 20 0 FGADHM Cc1cc([N-]C(=O)[C@H](C)S(=O)(=O)Cc2ccc(C(C)(C)C)cc2)on1 ZINC000105712965 495388401 /nfs/dbraw/zinc/38/84/01/495388401.db2.gz BTDUULYVYOXOHR-ZDUSSCGKSA-N -1 3 364.467 3.223 20 0 FGADHM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(Cn4cccn4)cc3)ccc2O1 ZINC000106007224 495401962 /nfs/dbraw/zinc/40/19/62/495401962.db2.gz OAOSDWYYOZEDGE-CQSZACIVSA-N -1 3 369.446 3.056 20 0 FGADHM COc1ccc([O-])c(C(=O)NCCc2nc(-c3cccc(Cl)c3)no2)c1 ZINC000114646078 495404014 /nfs/dbraw/zinc/40/40/14/495404014.db2.gz LCFXMGVQVFFBCA-UHFFFAOYSA-N -1 3 373.796 3.077 20 0 FGADHM CCc1cc(=O)[n-]c(CN(CCCO)Cc2ccc(Cl)c(Cl)c2)n1 ZINC000120594928 495413827 /nfs/dbraw/zinc/41/38/27/495413827.db2.gz WPDHRBQXCITIIY-UHFFFAOYSA-N -1 3 370.280 3.436 20 0 FGADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C)ccc2F)cc1Cl ZINC000137197649 495429379 /nfs/dbraw/zinc/42/93/79/495429379.db2.gz WQJPWSFHORHSEC-UHFFFAOYSA-N -1 3 357.790 3.375 20 0 FGADHM CCC1CCC(CNC(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)CC1 ZINC000125399896 495438363 /nfs/dbraw/zinc/43/83/63/495438363.db2.gz UBAUBEDVLIOMSZ-UHFFFAOYSA-N -1 3 356.463 3.143 20 0 FGADHM Cc1ccc(Br)cc1C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000120718204 495442009 /nfs/dbraw/zinc/44/20/09/495442009.db2.gz QFBUWHQTZNWIDD-UHFFFAOYSA-N -1 3 372.226 3.114 20 0 FGADHM Cc1ccc(Br)cc1C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000120718204 495442013 /nfs/dbraw/zinc/44/20/13/495442013.db2.gz QFBUWHQTZNWIDD-UHFFFAOYSA-N -1 3 372.226 3.114 20 0 FGADHM COc1ccccc1[C@H](N[C@H](C)C(=O)[N-]c1cc(C)no1)c1ccco1 ZINC000130813874 495449113 /nfs/dbraw/zinc/44/91/13/495449113.db2.gz IUWHCGRVBGLHFL-ACJLOTCBSA-N -1 3 355.394 3.291 20 0 FGADHM CC(C)(C)c1nc(CN2CCN(C(=O)c3ccc([O-])cc3)CC2)cs1 ZINC000130968101 495473397 /nfs/dbraw/zinc/47/33/97/495473397.db2.gz WQMWNYXQCUQMSX-UHFFFAOYSA-N -1 3 359.495 3.104 20 0 FGADHM O=C(NCc1ccc(Oc2ccc(F)cc2)nc1)c1c([O-])cccc1O ZINC000125694480 495484607 /nfs/dbraw/zinc/48/46/07/495484607.db2.gz VVHMXOKJCBCAIZ-UHFFFAOYSA-N -1 3 354.337 3.354 20 0 FGADHM CCC1(C[N-]S(=O)(=O)c2c3ccccc3sc2C(=O)OC)CC1 ZINC000125702212 495485334 /nfs/dbraw/zinc/48/53/34/495485334.db2.gz HDMFLKQDPZPYEW-UHFFFAOYSA-N -1 3 353.465 3.156 20 0 FGADHM CO[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(-c2csc(C)n2)s1 ZINC000121005164 495501251 /nfs/dbraw/zinc/50/12/51/495501251.db2.gz QBDVWFUZHYNGIA-AAEUAGOBSA-N -1 3 372.537 3.416 20 0 FGADHM C[C@@H](O)[C@@H]1CCCCN1Cc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000106863576 495502641 /nfs/dbraw/zinc/50/26/41/495502641.db2.gz HGXFUFLOPGOMNR-CJNGLKHVSA-N -1 3 369.490 3.387 20 0 FGADHM CC(C)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)OC(C)(C)C ZINC000125884924 495513338 /nfs/dbraw/zinc/51/33/38/495513338.db2.gz DIEVAZCSLOTUHT-LLVKDONJSA-N -1 3 353.893 3.046 20 0 FGADHM C[C@@H](Cc1nc2ccccc2s1)[N-]S(=O)(=O)c1ccccc1F ZINC000121052956 495513912 /nfs/dbraw/zinc/51/39/12/495513912.db2.gz RGVVZAOKDQRPOJ-NSHDSACASA-N -1 3 350.440 3.345 20 0 FGADHM Cc1noc2ncc(S(=O)(=O)[N-]Cc3oc4ccccc4c3C)cc12 ZINC000115582347 495519770 /nfs/dbraw/zinc/51/97/70/495519770.db2.gz BBKVBTGDDCSKME-UHFFFAOYSA-N -1 3 357.391 3.064 20 0 FGADHM COCCN(Cc1ccc(F)cc1Cl)C(=O)c1ccc(O)cc1[O-] ZINC000107157777 495522859 /nfs/dbraw/zinc/52/28/59/495522859.db2.gz JBHHTPZVYWIFSC-UHFFFAOYSA-N -1 3 353.777 3.179 20 0 FGADHM O=C(c1ccccc1[O-])N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000143449380 495534824 /nfs/dbraw/zinc/53/48/24/495534824.db2.gz FDDXNIPWLSBVJQ-MRXNPFEDSA-N -1 3 362.223 3.368 20 0 FGADHM CCCC[C@H](CCC)CNC(=O)c1cccc([C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000158601090 495547634 /nfs/dbraw/zinc/54/76/34/495547634.db2.gz SEYRSKZFSHLZBC-XOBRGWDASA-N -1 3 359.470 3.078 20 0 FGADHM CCC(CC)c1cc(C[N-]S(=O)(=O)c2ccc(OC)c(OC)c2)on1 ZINC000173495049 495557711 /nfs/dbraw/zinc/55/77/11/495557711.db2.gz UCPVJFKAHBYTIP-UHFFFAOYSA-N -1 3 368.455 3.074 20 0 FGADHM Cc1cccc(S(=O)(=O)[N-]c2ccc(O[C@@H]3CCCC[C@@H]3O)cc2)c1 ZINC000577779719 505791391 /nfs/dbraw/zinc/79/13/91/505791391.db2.gz BRGFVXCBOBQAKS-RBUKOAKNSA-N -1 3 361.463 3.478 20 0 FGADHM COc1cc(C(=O)NCc2ccc([O-])c(F)c2)sc1Br ZINC000179361498 495560653 /nfs/dbraw/zinc/56/06/53/495560653.db2.gz GFCCKCLIDGTSQJ-UHFFFAOYSA-N -1 3 360.204 3.294 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NC[C@@H]2CCC[C@H](C)C2)c1 ZINC000185433967 495575680 /nfs/dbraw/zinc/57/56/80/495575680.db2.gz TVVRAAGYECXICK-GXTWGEPZSA-N -1 3 371.437 3.497 20 0 FGADHM CCc1ccc(NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)cc1F ZINC000158747432 495580526 /nfs/dbraw/zinc/58/05/26/495580526.db2.gz UNLHGDADHPLMIW-UHFFFAOYSA-N -1 3 371.412 3.084 20 0 FGADHM CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc2n[n-]nc2c1 ZINC000185463194 495586964 /nfs/dbraw/zinc/58/69/64/495586964.db2.gz TWWWJHOXSMXNDC-DQYPLSBCSA-N -1 3 370.453 3.073 20 0 FGADHM CC(C)c1nn(-c2ccccc2)cc1CNC(=O)c1ccc2n[n-]nc2c1 ZINC000158780409 495587265 /nfs/dbraw/zinc/58/72/65/495587265.db2.gz OJKYNSFGLDVJQX-UHFFFAOYSA-N -1 3 360.421 3.197 20 0 FGADHM CC(C)c1cccc(-n2cc([O-])c(C(=O)N(C)[C@H]3CCN(C)[C@@H](C)C3)n2)c1 ZINC000176304649 495589187 /nfs/dbraw/zinc/58/91/87/495589187.db2.gz XRFHIPQDTMVRFK-RDJZCZTQSA-N -1 3 370.497 3.256 20 0 FGADHM CC(C)[C@H]1N(C(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)CC12CCCC2 ZINC000568844715 505791042 /nfs/dbraw/zinc/79/10/42/505791042.db2.gz XHAYTQJMALWVJN-MRXNPFEDSA-N -1 3 368.474 3.238 20 0 FGADHM O=C([N-]c1nnc(-c2ccccn2)s1)c1ccc(Br)cn1 ZINC000170760234 495593591 /nfs/dbraw/zinc/59/35/91/495593591.db2.gz YPMRNUIDQCXPFV-UHFFFAOYSA-N -1 3 362.212 3.010 20 0 FGADHM CS(=O)(=O)[N-]c1cc(NC(=O)Cc2cccc(Cl)c2)ccc1F ZINC000170778390 495601754 /nfs/dbraw/zinc/60/17/54/495601754.db2.gz XQYVVLCZODSHIW-UHFFFAOYSA-N -1 3 356.806 3.032 20 0 FGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1n[nH]c2c1cccc2Cl ZINC000154392841 495602496 /nfs/dbraw/zinc/60/24/96/495602496.db2.gz SSKAATJQXMNLHZ-UHFFFAOYSA-N -1 3 359.817 3.158 20 0 FGADHM CC(C)[C@H]([N-]S(=O)(=O)c1cccc2cnccc21)c1nc(C2CC2)no1 ZINC000170787638 495604517 /nfs/dbraw/zinc/60/45/17/495604517.db2.gz ARPUMTJATREZBW-INIZCTEOSA-N -1 3 372.450 3.171 20 0 FGADHM Cn1ncc2c1ncc(C(=O)N1CCC[C@@H](c3ccccc3)CC1)c2[O-] ZINC000179475936 495606402 /nfs/dbraw/zinc/60/64/02/495606402.db2.gz UDKFVKMVEFAQDS-OAHLLOKOSA-N -1 3 350.422 3.084 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N(C)[C@H](C)c2ccccc2F)c([O-])c1 ZINC000170826728 495616862 /nfs/dbraw/zinc/61/68/62/495616862.db2.gz LUYOXCPJPPQVEB-CQSZACIVSA-N -1 3 358.413 3.179 20 0 FGADHM CC[C@@H]1CCCCCN1Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[n-]1 ZINC000150740093 495618150 /nfs/dbraw/zinc/61/81/50/495618150.db2.gz SDFMXEBPOXVDNP-GFCCVEGCSA-N -1 3 363.483 3.234 20 0 FGADHM COc1cc(CNC(=O)Cc2cncc([O-])c2)ccc1OCCC(C)C ZINC000580594352 505793234 /nfs/dbraw/zinc/79/32/34/505793234.db2.gz QLDCKGXCBMJZDJ-UHFFFAOYSA-N -1 3 358.438 3.080 20 0 FGADHM Cc1cnc(C[N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)s1 ZINC000173635331 495625814 /nfs/dbraw/zinc/62/58/14/495625814.db2.gz FSOYGTYSQVKEHG-UHFFFAOYSA-N -1 3 354.350 3.088 20 0 FGADHM Cc1cc(Cl)cc(NC(=O)CNC(=O)c2cc3ccccc3[nH]2)c1[O-] ZINC000173648249 495633691 /nfs/dbraw/zinc/63/36/91/495633691.db2.gz JAWWUPRRJMXLFZ-UHFFFAOYSA-N -1 3 357.797 3.204 20 0 FGADHM Cc1nn(-c2nc(C)cc(C)n2)c(C)c1CC(=O)Nc1c(C)cccc1[O-] ZINC000179543197 495634149 /nfs/dbraw/zinc/63/41/49/495634149.db2.gz WRPQGGYUZLFLDL-UHFFFAOYSA-N -1 3 365.437 3.091 20 0 FGADHM Cc1cccc([O-])c1NC(=O)CCC(=O)N1CCC(c2ccccc2)=N1 ZINC000179563824 495642267 /nfs/dbraw/zinc/64/22/67/495642267.db2.gz KXCJMBKWOJDMGG-UHFFFAOYSA-N -1 3 351.406 3.056 20 0 FGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000185610340 495642787 /nfs/dbraw/zinc/64/27/87/495642787.db2.gz YYUGQGZVYADDKN-JJRVBVJISA-N -1 3 368.481 3.014 20 0 FGADHM COc1ccc([O-])c(NC(=O)C(=O)c2c(C)nn(-c3ccccc3)c2C)c1 ZINC000154542930 495649592 /nfs/dbraw/zinc/64/95/92/495649592.db2.gz KNBOALVSWOREAW-UHFFFAOYSA-N -1 3 365.389 3.025 20 0 FGADHM CN(C)c1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000150839031 495651957 /nfs/dbraw/zinc/65/19/57/495651957.db2.gz YIEKQPNVCHRPEA-LBPRGKRZSA-N -1 3 366.405 3.082 20 0 FGADHM O=C(c1ccccc1[O-])N1CCN(Cc2ncc(Cl)cc2Cl)CC1 ZINC000182669141 495656304 /nfs/dbraw/zinc/65/63/04/495656304.db2.gz UQZIRQGACORDPA-UHFFFAOYSA-N -1 3 366.248 3.052 20 0 FGADHM O=C1CCCCN1CSc1n[n-]c(COc2ccc(Cl)cc2)n1 ZINC000182672742 495657606 /nfs/dbraw/zinc/65/76/06/495657606.db2.gz FAJHDKIKEBVRFL-UHFFFAOYSA-N -1 3 352.847 3.099 20 0 FGADHM COc1ccc(Br)cc1S(=O)(=O)[N-][C@H]1CCC[C@@H](F)C1 ZINC000568861091 505795617 /nfs/dbraw/zinc/79/56/17/505795617.db2.gz WPPZHAXZRLNCJF-MNOVXSKESA-N -1 3 366.252 3.017 20 0 FGADHM CCCn1c(=O)[n-]nc1S[C@@H](C)c1nc(Cc2ccc(F)cc2)no1 ZINC000150883626 495667412 /nfs/dbraw/zinc/66/74/12/495667412.db2.gz GMJWWVFBYUIWSA-JTQLQIEISA-N -1 3 363.418 3.360 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NC2[C@@H](C)CCC[C@@H]2C)c1 ZINC000182704687 495670550 /nfs/dbraw/zinc/67/05/50/495670550.db2.gz MTAQMGPFYWDFII-RYUDHWBXSA-N -1 3 371.437 3.495 20 0 FGADHM O=C(C[C@@H]1CCCc2ccccc21)NCCCNC(=O)c1cccc([O-])c1 ZINC000170995020 495680168 /nfs/dbraw/zinc/68/01/68/495680168.db2.gz LQBSQJOGQYAJMO-KRWDZBQOSA-N -1 3 366.461 3.139 20 0 FGADHM COc1ccc(N[C@@H](C)c2cnn(C(C)C)c2)cc1[N-]S(C)(=O)=O ZINC000182734493 495681216 /nfs/dbraw/zinc/68/12/16/495681216.db2.gz KQHYNQCYSAOCSU-LBPRGKRZSA-N -1 3 352.460 3.017 20 0 FGADHM CCC(CC)(CO)C[N-]S(=O)(=O)c1cc(Cl)c(OC)cc1Cl ZINC000159195406 495681268 /nfs/dbraw/zinc/68/12/68/495681268.db2.gz COHYOYKUVQGQIQ-UHFFFAOYSA-N -1 3 370.298 3.079 20 0 FGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C2=CCCCCC2)cc1OC ZINC000185705620 495689114 /nfs/dbraw/zinc/68/91/14/495689114.db2.gz UENMSEKBEHVCBJ-UHFFFAOYSA-N -1 3 352.456 3.286 20 0 FGADHM O=S(=O)([N-][C@H](c1ccccc1)[C@H]1CCCO1)c1cc(F)cc(F)c1 ZINC000171041908 495700648 /nfs/dbraw/zinc/70/06/48/495700648.db2.gz YORWYXFLGLGZLV-IAGOWNOFSA-N -1 3 353.390 3.163 20 0 FGADHM CC1CCC(OC2CCN(C(=O)c3cc(=O)[n-]c(C4CC4)n3)CC2)CC1 ZINC000568881985 505799281 /nfs/dbraw/zinc/79/92/81/505799281.db2.gz VLYULSJWZSDNPQ-UHFFFAOYSA-N -1 3 359.470 3.260 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1ccc2c(c1)OCO2)c1nc(C(C)(C)C)cs1 ZINC000182830469 495720111 /nfs/dbraw/zinc/72/01/11/495720111.db2.gz ZHBRSTRERZGTBN-JTQLQIEISA-N -1 3 368.480 3.209 20 0 FGADHM O=C(c1ccc2c(c1[O-])CCCC2)N1CCCN(Cc2cscn2)CC1 ZINC000185784511 495724474 /nfs/dbraw/zinc/72/44/74/495724474.db2.gz IEGGVBMIKUPIDO-UHFFFAOYSA-N -1 3 371.506 3.076 20 0 FGADHM O=C(c1ccc2n[n-]nc2c1)N(Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC000171110383 495728614 /nfs/dbraw/zinc/72/86/14/495728614.db2.gz XWOLRJAUOOVACI-UHFFFAOYSA-N -1 3 362.433 3.478 20 0 FGADHM Cn1ncnc1[N-]C(=O)c1sc(-c2ccco2)nc1-c1ccccc1 ZINC000151070228 495729511 /nfs/dbraw/zinc/72/95/11/495729511.db2.gz NCQFUXZTPFXPLX-UHFFFAOYSA-N -1 3 351.391 3.451 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)[C@@H](SC)c3ccccc3)[n-]c21 ZINC000179775138 495729796 /nfs/dbraw/zinc/72/97/96/495729796.db2.gz XJAXAOKWYAHYJK-HNNXBMFYSA-N -1 3 355.419 3.392 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@@H](SC)c3ccccc3)nc21 ZINC000179775138 495729802 /nfs/dbraw/zinc/72/98/02/495729802.db2.gz XJAXAOKWYAHYJK-HNNXBMFYSA-N -1 3 355.419 3.392 20 0 FGADHM CCOc1ccc(Br)cc1NC(=O)c1ccc2n[n-]nc2c1 ZINC000171112752 495730351 /nfs/dbraw/zinc/73/03/51/495730351.db2.gz OSBBHSDKBJKBLR-UHFFFAOYSA-N -1 3 361.199 3.371 20 0 FGADHM CC[C@]1(c2ccc(NC(=O)c3cc(C)ccc3[O-])cc2)CCC(=O)NC1=O ZINC000154836922 495743922 /nfs/dbraw/zinc/74/39/22/495743922.db2.gz XMNCPEVOLNQJOL-OAQYLSRUSA-N -1 3 366.417 3.037 20 0 FGADHM O=C([C@@H]1CC(=O)N(c2ccccc2Cl)C1)N1CCCc2cccc([O-])c21 ZINC000182929272 495761159 /nfs/dbraw/zinc/76/11/59/495761159.db2.gz AMQUMRCJAQHOBB-CQSZACIVSA-N -1 3 370.836 3.378 20 0 FGADHM Cc1c(C(=O)Nc2nnc(-c3ccco3)[n-]2)cnn1-c1cc(C)ccc1C ZINC000154888211 495762313 /nfs/dbraw/zinc/76/23/13/495762313.db2.gz VGAHBPVTXVOCAL-UHFFFAOYSA-N -1 3 362.393 3.428 20 0 FGADHM Cc1c(C(=O)Nc2nc(-c3ccco3)n[n-]2)cnn1-c1cc(C)ccc1C ZINC000154888211 495762320 /nfs/dbraw/zinc/76/23/20/495762320.db2.gz VGAHBPVTXVOCAL-UHFFFAOYSA-N -1 3 362.393 3.428 20 0 FGADHM Cc1c(C(=O)Nc2n[n-]c(-c3ccco3)n2)cnn1-c1cc(C)ccc1C ZINC000154888211 495762325 /nfs/dbraw/zinc/76/23/25/495762325.db2.gz VGAHBPVTXVOCAL-UHFFFAOYSA-N -1 3 362.393 3.428 20 0 FGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)COc2ccccc2Cl)c1 ZINC000173973198 495769957 /nfs/dbraw/zinc/76/99/57/495769957.db2.gz HPAFRHSVBFNBFI-UHFFFAOYSA-N -1 3 368.842 3.037 20 0 FGADHM Cc1cccc(C(=O)N2CCC(n3ccc(C(F)(F)F)n3)CC2)c1[O-] ZINC000179893676 495773256 /nfs/dbraw/zinc/77/32/56/495773256.db2.gz KBBNPVKEFMHAPW-UHFFFAOYSA-N -1 3 353.344 3.393 20 0 FGADHM CCOC(=O)c1ccc(NC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)c([O-])c1 ZINC000574564037 505802863 /nfs/dbraw/zinc/80/28/63/505802863.db2.gz SYNUKVMHDALQEP-UHFFFAOYSA-N -1 3 369.352 3.350 20 0 FGADHM C[C@H](NC(=O)c1ccc(O)cc1[O-])c1noc(-c2ccc(Cl)cc2)n1 ZINC000176773403 495779525 /nfs/dbraw/zinc/77/95/25/495779525.db2.gz UXDGESOIAOELMZ-VIFPVBQESA-N -1 3 359.769 3.292 20 0 FGADHM O=C(Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)c1ccc(=O)[nH]n1 ZINC000179934544 495790676 /nfs/dbraw/zinc/79/06/76/495790676.db2.gz AQIMZJFSUNCBIC-UHFFFAOYSA-N -1 3 364.386 3.005 20 0 FGADHM CCC[C@H](C)CS(=O)(=O)[N-][C@H](C)c1nc(-c2cccc(OC)c2)no1 ZINC000174033949 495797319 /nfs/dbraw/zinc/79/73/19/495797319.db2.gz YNFKSOMBUSSATF-QWHCGFSZSA-N -1 3 367.471 3.162 20 0 FGADHM CC(C)(C)Oc1ccc(CNC(=O)c2c[n-]c3ccccc3c2=O)cn1 ZINC000179986090 495811217 /nfs/dbraw/zinc/81/12/17/495811217.db2.gz HSJDZCJSCDZXJY-UHFFFAOYSA-N -1 3 351.406 3.030 20 0 FGADHM Cc1cc(F)ccc1-n1ccc(C(=O)[N-]c2nnc(C(F)(F)F)s2)n1 ZINC000183060184 495818452 /nfs/dbraw/zinc/81/84/52/495818452.db2.gz BXSYDJGHYSTQSM-UHFFFAOYSA-N -1 3 371.319 3.442 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N(C)[C@H](C)C2(C)CC2)c1 ZINC000183073173 495823443 /nfs/dbraw/zinc/82/34/43/495823443.db2.gz KJYQNZRIDOQEEK-GFCCVEGCSA-N -1 3 357.410 3.202 20 0 FGADHM Cc1c(C(=O)Nc2c(C)cccc2[O-])cnn1CCO[C@@H]1CCCCO1 ZINC000183077553 495825349 /nfs/dbraw/zinc/82/53/49/495825349.db2.gz MCNPQJWOKDNOHV-QGZVFWFLSA-N -1 3 359.426 3.001 20 0 FGADHM Cc1ccc(NC(=O)c2cc(F)c([O-])c(F)c2)c(OCCN(C)C)c1 ZINC000180046802 495836975 /nfs/dbraw/zinc/83/69/75/495836975.db2.gz AUYQTAGPXVURMT-UHFFFAOYSA-N -1 3 350.365 3.172 20 0 FGADHM CCc1ccc([N-]S(=O)(=O)c2ccc(OCCOC)cc2)cc1F ZINC000151440850 495840912 /nfs/dbraw/zinc/84/09/12/495840912.db2.gz XANUYLVVOLPXER-UHFFFAOYSA-N -1 3 353.415 3.214 20 0 FGADHM Cc1ccc(C)c([C@@H]2CN(C(=O)c3cccc4[n-]nnc43)[C@@H](C)CO2)c1 ZINC000180077114 495848059 /nfs/dbraw/zinc/84/80/59/495848059.db2.gz BVVIQQOKKPPKHG-KSSFIOAISA-N -1 3 350.422 3.177 20 0 FGADHM Cc1ccc(C)c([C@@H]2CN(C(=O)c3cccc4nn[n-]c43)[C@@H](C)CO2)c1 ZINC000180077114 495848066 /nfs/dbraw/zinc/84/80/66/495848066.db2.gz BVVIQQOKKPPKHG-KSSFIOAISA-N -1 3 350.422 3.177 20 0 FGADHM Cc1ccc(C)c([C@@H]2CN(C(=O)c3cccc4n[n-]nc43)[C@@H](C)CO2)c1 ZINC000180077114 495848070 /nfs/dbraw/zinc/84/80/70/495848070.db2.gz BVVIQQOKKPPKHG-KSSFIOAISA-N -1 3 350.422 3.177 20 0 FGADHM Cc1csc(C[N-]S(=O)(=O)c2cccc(C)c2Br)n1 ZINC000155195778 495871315 /nfs/dbraw/zinc/87/13/15/495871315.db2.gz HUXPJAVILFIVNM-UHFFFAOYSA-N -1 3 361.286 3.001 20 0 FGADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N[C@@H]3C=CCCC3)cs2)c1 ZINC000180153790 495882510 /nfs/dbraw/zinc/88/25/10/495882510.db2.gz OFCQOMFZSPJCSA-CYBMUJFWSA-N -1 3 371.462 3.177 20 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/nfs/dbraw/zinc/03/11/30/496031130.db2.gz XHAIZQOREMLZLZ-UHFFFAOYSA-N -1 3 354.450 3.137 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)NCc1ccccc1OC(F)(F)F ZINC000155713640 496043912 /nfs/dbraw/zinc/04/39/12/496043912.db2.gz XVLUOBRRBFYRDN-UHFFFAOYSA-N -1 3 358.291 3.429 20 0 FGADHM COc1cccc([C@H]2[C@H](NC(=O)c3ccc([O-])cc3F)CCN2C2CC2)c1 ZINC000155743620 496054193 /nfs/dbraw/zinc/05/41/93/496054193.db2.gz PYNSUEJUEDPNMS-UXHICEINSA-N -1 3 370.424 3.248 20 0 FGADHM Cc1cc(C(=O)[N-]c2cc(NC(=O)c3cc(C)no3)c(F)cc2F)on1 ZINC000152150892 496063002 /nfs/dbraw/zinc/06/30/02/496063002.db2.gz BDVMZHBFWCQUPP-UHFFFAOYSA-N -1 3 362.292 3.062 20 0 FGADHM C[C@@H]1CN(C(=O)c2c[n-]c3ccccc3c2=O)C[C@@H](c2ccc(F)cc2)O1 ZINC000152155922 496064126 /nfs/dbraw/zinc/06/41/26/496064126.db2.gz LFHQUOZYJHTYIT-YJYMSZOUSA-N -1 3 366.392 3.269 20 0 FGADHM COc1ncnc(OC)c1C(=O)[N-]c1nc(-c2ccccc2F)cs1 ZINC000171853953 496065092 /nfs/dbraw/zinc/06/50/92/496065092.db2.gz YRKVVHRYEVFLIY-UHFFFAOYSA-N -1 3 360.370 3.009 20 0 FGADHM [O-]c1ccc(Cc2nc(-c3ccccc3CN3CCOCC3)no2)cc1F ZINC000577934734 505821052 /nfs/dbraw/zinc/82/10/52/505821052.db2.gz SBWJTBNSYCJGFS-UHFFFAOYSA-N -1 3 369.396 3.004 20 0 FGADHM CC1(C)CCC[C@@H](CC(=O)N2CCN(C(=O)c3cccc([O-])c3)CC2)C1 ZINC000155797073 496071252 /nfs/dbraw/zinc/07/12/52/496071252.db2.gz RGFOVCCIWZWURV-INIZCTEOSA-N -1 3 358.482 3.283 20 0 FGADHM Cc1cc(NC(=O)c2ccc(C(=O)c3cccc([O-])c3)cc2)ccc1C(N)=O ZINC000186629593 496081373 /nfs/dbraw/zinc/08/13/73/496081373.db2.gz KXUHPOWYLLPSOU-UHFFFAOYSA-N -1 3 374.396 3.283 20 0 FGADHM O=C(c1cc([O-])ccc1Cl)N1CCN(c2ncnc3ccsc32)CC1 ZINC000580722266 505823299 /nfs/dbraw/zinc/82/32/99/505823299.db2.gz CGUJDCFWOYJIMC-UHFFFAOYSA-N -1 3 374.853 3.013 20 0 FGADHM CCN(CC1CC1)C(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000183765181 496109265 /nfs/dbraw/zinc/10/92/65/496109265.db2.gz NTHWOQAAUCWRTF-UHFFFAOYSA-N -1 3 373.478 3.210 20 0 FGADHM O=S(=O)([N-][C@H]1CCO[C@H](C2CC2)C1)c1cccc(Cl)c1Cl ZINC000183809844 496123665 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O=S(=O)([N-]CC1CCOCC1)c1cc(Cl)ccc1OCCC1CC1 ZINC000186823469 496167713 /nfs/dbraw/zinc/16/77/13/496167713.db2.gz QFGFNUWJTQWSHO-UHFFFAOYSA-N -1 3 373.902 3.224 20 0 FGADHM CC1(C)CCC[C@H]1NC(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000174980759 496192374 /nfs/dbraw/zinc/19/23/74/496192374.db2.gz TXNLLSGZUWFJDW-QGZVFWFLSA-N -1 3 359.470 3.331 20 0 FGADHM CC(C)(C)c1cnc(SCC(=O)c2ccc([N-]S(C)(=O)=O)cc2)o1 ZINC000177815842 496208083 /nfs/dbraw/zinc/20/80/83/496208083.db2.gz MEUJBOSIXZRRLI-UHFFFAOYSA-N -1 3 368.480 3.319 20 0 FGADHM Cc1c([O-])ccc2c(CN3CC[C@@H](C)[C@H](n4ccnc4)C3)cc(=O)oc12 ZINC000156414740 496239050 /nfs/dbraw/zinc/23/90/50/496239050.db2.gz NRFNBDWMIWLSDO-CXAGYDPISA-N -1 3 353.422 3.087 20 0 FGADHM COC(=O)c1c(C2CC2)csc1[N-]C(=O)C(=O)Nc1cccc(C)c1 ZINC000156427376 496243283 /nfs/dbraw/zinc/24/32/83/496243283.db2.gz ZMDXOOIDEVKWHH-UHFFFAOYSA-N -1 3 358.419 3.298 20 0 FGADHM Cc1cc(=O)[n-]c([C@H](C)N(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)n1 ZINC000177913433 496249681 /nfs/dbraw/zinc/24/96/81/496249681.db2.gz XFCGGQRKHAGGKG-JTQLQIEISA-N -1 3 369.252 3.429 20 0 FGADHM C[C@@H]([C@H](C)NC(=O)c1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1)C1CCCCC1 ZINC000156458189 496251223 /nfs/dbraw/zinc/25/12/23/496251223.db2.gz ZHXSPNZHBGIGRA-DGCWBMGLSA-N -1 3 371.481 3.076 20 0 FGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)[C@H]2CCCc3sccc32)c1 ZINC000152781687 496255189 /nfs/dbraw/zinc/25/51/89/496255189.db2.gz OBYMJXZHBBIQQD-ZDUSSCGKSA-N -1 3 364.492 3.487 20 0 FGADHM C[C@@H](Cc1ccccc1F)C(=O)Nc1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000172330859 496256944 /nfs/dbraw/zinc/25/69/44/496256944.db2.gz WTEFLVIIJNSKIK-NSHDSACASA-N -1 3 368.405 3.154 20 0 FGADHM Cc1ccc(CS(=O)(=O)[N-]C2(c3nccs3)CCCC2)cc1F ZINC000184151369 496260429 /nfs/dbraw/zinc/26/04/29/496260429.db2.gz ZEZZUTRVTZLTGU-UHFFFAOYSA-N -1 3 354.472 3.480 20 0 FGADHM O=C(N[C@H]1CC=CCC1)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000172393722 496280482 /nfs/dbraw/zinc/28/04/82/496280482.db2.gz JFSGVXGWGJGRRY-HNNXBMFYSA-N -1 3 374.437 3.465 20 0 FGADHM C[C@]1(C[N-]S(=O)(=O)c2ccc(Br)cc2F)CCCS1 ZINC000162066911 496291083 /nfs/dbraw/zinc/29/10/83/496291083.db2.gz PNEGDCXADNBHQC-GFCCVEGCSA-N -1 3 368.293 3.152 20 0 FGADHM COCCN1CCC(NC(=O)c2cc(Cl)c3ccccc3c2[O-])CC1 ZINC000175206399 496291845 /nfs/dbraw/zinc/29/18/45/496291845.db2.gz NCZOWOCAEFUYOW-UHFFFAOYSA-N -1 3 362.857 3.039 20 0 FGADHM CC[C@@H](CNC(=O)c1c[n-]c2ccccc2c1=O)Oc1cccc(C)c1 ZINC000178025642 496293556 /nfs/dbraw/zinc/29/35/56/496293556.db2.gz QNRKRPKDPNSILL-HNNXBMFYSA-N -1 3 350.418 3.424 20 0 FGADHM O=C(NCc1ccc([O-])c(Br)c1)N[C@@H]1[C@H]2Cc3ccccc3[C@@H]12 ZINC000152920705 496296630 /nfs/dbraw/zinc/29/66/30/496296630.db2.gz BTKLGVJKJHWRNM-IAOVAPTHSA-N -1 3 373.250 3.292 20 0 FGADHM O=S(=O)([N-][C@@H]1CC=CCC1)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000187106953 496297105 /nfs/dbraw/zinc/29/71/05/496297105.db2.gz ULRBFYCRBBGUNG-DZGCQCFKSA-N -1 3 371.886 3.142 20 0 FGADHM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cccc(F)c2)c1C ZINC000184282678 496318343 /nfs/dbraw/zinc/31/83/43/496318343.db2.gz RXCACNXMIWGGOH-UHFFFAOYSA-N -1 3 357.790 3.375 20 0 FGADHM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(F)cc2)c1C ZINC000184281546 496318853 /nfs/dbraw/zinc/31/88/53/496318853.db2.gz JUQYTXXHWLIRKJ-UHFFFAOYSA-N -1 3 357.790 3.375 20 0 FGADHM CSc1nnc(CNc2c(C(=O)[O-])cnc3c(C)cc(C)cc32)s1 ZINC000571884892 505838140 /nfs/dbraw/zinc/83/81/40/505838140.db2.gz WTRYVQXUBZWEKR-UHFFFAOYSA-N -1 3 360.464 3.157 20 0 FGADHM CC(=O)c1ccc(C(=O)N2CC[C@H](n3c(C)nc4c3CCCC4)C2)cc1[O-] ZINC000571885771 505838501 /nfs/dbraw/zinc/83/85/01/505838501.db2.gz FSZSLIZGJIBWMP-INIZCTEOSA-N -1 3 367.449 3.066 20 0 FGADHM Cc1ccc(CCN(C[C@H]2CCCO2)C(=O)c2ccc(O)cc2[O-])cc1 ZINC000175344811 496348904 /nfs/dbraw/zinc/34/89/04/496348904.db2.gz HYNJQIYWOBYMMB-GOSISDBHSA-N -1 3 355.434 3.270 20 0 FGADHM CCc1n[n-]c(S(=O)(=O)Cc2csc(-c3ccc(Cl)cc3)n2)n1 ZINC000153121503 496360245 /nfs/dbraw/zinc/36/02/45/496360245.db2.gz RGZICTJSZJSPAZ-UHFFFAOYSA-N -1 3 368.871 3.118 20 0 FGADHM CCc1nnc(S(=O)(=O)Cc2csc(-c3ccc(Cl)cc3)n2)[n-]1 ZINC000153121503 496360250 /nfs/dbraw/zinc/36/02/50/496360250.db2.gz RGZICTJSZJSPAZ-UHFFFAOYSA-N -1 3 368.871 3.118 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N[C@@H]3C[C@@H]3c3cccc(F)c3)c[n-]c12 ZINC000178188361 496362552 /nfs/dbraw/zinc/36/25/52/496362552.db2.gz UBFZEAOLTDTTBZ-RHSMWYFYSA-N -1 3 354.356 3.401 20 0 FGADHM CCc1c(C(=O)Nc2nc3cccc(C(=O)OC)c3[n-]2)cnn1CC(C)C ZINC000162514287 496365801 /nfs/dbraw/zinc/36/58/01/496365801.db2.gz PSJPCXBJPFEDNI-UHFFFAOYSA-N -1 3 369.425 3.017 20 0 FGADHM CCc1c(C(=O)Nc2nc3c(cccc3C(=O)OC)[n-]2)cnn1CC(C)C ZINC000162514287 496365806 /nfs/dbraw/zinc/36/58/06/496365806.db2.gz PSJPCXBJPFEDNI-UHFFFAOYSA-N -1 3 369.425 3.017 20 0 FGADHM C[C@@H](CS(=O)(=O)[N-]c1cc2c(cc1F)NC(=O)CC2)c1ccccc1 ZINC000156995410 496380800 /nfs/dbraw/zinc/38/08/00/496380800.db2.gz WOOVCOHLIXRYIS-LBPRGKRZSA-N -1 3 362.426 3.256 20 0 FGADHM CCOC(=O)c1sc([N-]C(=O)c2c(F)ccc(F)c2OC)nc1C ZINC000153224176 496388776 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CC(C)CCO[C@H](C)C(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000178351621 496423796 /nfs/dbraw/zinc/42/37/96/496423796.db2.gz IPCLKPCGVLQLEY-OAHLLOKOSA-N -1 3 362.470 3.021 20 0 FGADHM CC[C@H](CN(CC)C(=O)c1cnc2c(cnn2C)c1[O-])c1ccccc1 ZINC000187411233 496430640 /nfs/dbraw/zinc/43/06/40/496430640.db2.gz RWEMFSIXVWMTBI-CQSZACIVSA-N -1 3 352.438 3.330 20 0 FGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@H](c1ccccc1)C1CCC1 ZINC000157231583 496433609 /nfs/dbraw/zinc/43/36/09/496433609.db2.gz AMNUSDDFSVIQAB-OAHLLOKOSA-N -1 3 365.476 3.354 20 0 FGADHM CC1(C)[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)[C@@H]2CCO[C@@H]21 ZINC000153388387 496439427 /nfs/dbraw/zinc/43/94/27/496439427.db2.gz KUHQREVSTSPNKT-BIMULSAOSA-N -1 3 350.267 3.085 20 0 FGADHM O=C(Cc1ccc([O-])cc1Cl)N1CCN(c2nc3ccccc3o2)CC1 ZINC000178407286 496444674 /nfs/dbraw/zinc/44/46/74/496444674.db2.gz DDVDFGAAOIGSET-UHFFFAOYSA-N -1 3 371.824 3.078 20 0 FGADHM Cc1cc(C)n(CCCNC(=O)c2c[n-]nc2-c2ccc(Cl)s2)n1 ZINC000187455261 496448271 /nfs/dbraw/zinc/44/82/71/496448271.db2.gz FWQFUKLFZHJSTE-UHFFFAOYSA-N -1 3 363.874 3.425 20 0 FGADHM CCn1c2ccccc2nc1[C@@H](C)NC(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000163040523 496454337 /nfs/dbraw/zinc/45/43/37/496454337.db2.gz BXAIJFLZFAPZRG-GFCCVEGCSA-N -1 3 369.421 3.270 20 0 FGADHM O=C(Cc1cccs1)N1CCC[C@@H]1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000153448444 496458580 /nfs/dbraw/zinc/45/85/80/496458580.db2.gz LNRJMOJJMIUKBS-CQSZACIVSA-N -1 3 364.854 3.279 20 0 FGADHM CC(=O)Nc1ccc(-c2csc([N-]c3ncnc4c3cnn4C)n2)cc1 ZINC000163088083 496461643 /nfs/dbraw/zinc/46/16/43/496461643.db2.gz FOBPIFUIWRNKNB-UHFFFAOYSA-N -1 3 365.422 3.189 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]c2ccc(O[C@@H]3CCOC3)cc2)cc(C)c1F ZINC000172895570 496480335 /nfs/dbraw/zinc/48/03/35/496480335.db2.gz FCGPLNKZJZNUKO-MRXNPFEDSA-N -1 3 365.426 3.411 20 0 FGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)Cc1cccs1 ZINC000178508647 496481598 /nfs/dbraw/zinc/48/15/98/496481598.db2.gz SRGMCGFLRNZXHB-SNVBAGLBSA-N -1 3 373.883 3.098 20 0 FGADHM 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/nfs/dbraw/zinc/53/74/11/496537411.db2.gz CYPQAXVQQCRGDC-UHFFFAOYSA-N -1 3 374.282 3.279 20 0 FGADHM O=C(Nc1ccc(-c2noc(C(F)(F)F)n2)cc1)c1cccc2n[n-]nc21 ZINC000187693124 496537415 /nfs/dbraw/zinc/53/74/15/496537415.db2.gz CYPQAXVQQCRGDC-UHFFFAOYSA-N -1 3 374.282 3.279 20 0 FGADHM CC[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)[C@@H]1CCCO1 ZINC000157755087 496547155 /nfs/dbraw/zinc/54/71/55/496547155.db2.gz VGBPHTOCUBDHDU-NEPJUHHUSA-N -1 3 355.353 3.080 20 0 FGADHM Cc1cc(S(=O)(=O)[N-][C@H](c2nc(C3CC3)no2)C(C)C)c(F)cc1F ZINC000175793927 496548287 /nfs/dbraw/zinc/54/82/87/496548287.db2.gz UKVSLHPBOXORRT-AWEZNQCLSA-N -1 3 371.409 3.209 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)[C@@H]3C[C@H]3c3ccccc3OC)[n-]c21 ZINC000157782033 496553647 /nfs/dbraw/zinc/55/36/47/496553647.db2.gz WHHBCWOVEQTPTC-UONOGXRCSA-N -1 3 365.389 3.100 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@@H]3C[C@H]3c3ccccc3OC)nc21 ZINC000157782033 496553655 /nfs/dbraw/zinc/55/36/55/496553655.db2.gz WHHBCWOVEQTPTC-UONOGXRCSA-N -1 3 365.389 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FGADHM CCc1ccc([C@H](COC)[N-]S(=O)(=O)Cc2cccc3cccnc32)o1 ZINC000173351408 496655248 /nfs/dbraw/zinc/65/52/48/496655248.db2.gz BCCHGCOLQAVCOX-KRWDZBQOSA-N -1 3 374.462 3.197 20 0 FGADHM CC[C@@H]1CN(C(=O)c2c[n-]c3c(C)cccc3c2=O)CCN1CC(F)F ZINC000165442586 496659003 /nfs/dbraw/zinc/65/90/03/496659003.db2.gz QMTLTJIWYMYWQH-CYBMUJFWSA-N -1 3 363.408 3.050 20 0 FGADHM Cc1n[nH]c(C)c1[C@@H](C)CC(=O)NCc1ccc([O-])c(Br)c1 ZINC000158277411 496666475 /nfs/dbraw/zinc/66/64/75/496666475.db2.gz DXNZXNCWVOIZTF-VIFPVBQESA-N -1 3 366.259 3.305 20 0 FGADHM Cc1nc2cc([N-]S(=O)(=O)Cc3ccc(F)cc3F)ccc2n1C ZINC000154102055 496684759 /nfs/dbraw/zinc/68/47/59/496684759.db2.gz RAFIHFWQEMNWBV-UHFFFAOYSA-N -1 3 351.378 3.102 20 0 FGADHM O=C(Nc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cccc([O-])c1 ZINC000182151489 496688895 /nfs/dbraw/zinc/68/88/95/496688895.db2.gz UIDRQLBCHYCTJE-UHFFFAOYSA-N -1 3 366.339 3.500 20 0 FGADHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1)c1c(C)noc1C ZINC000182160216 496692851 /nfs/dbraw/zinc/69/28/51/496692851.db2.gz WXXGSGYXMPWJTJ-LLVKDONJSA-N -1 3 363.361 3.135 20 0 FGADHM CC(C)COC[C@H](NC(=O)NCc1ccc([O-])c(F)c1)c1ccco1 ZINC000158400572 496693198 /nfs/dbraw/zinc/69/31/98/496693198.db2.gz STTHVQRHRHIVBD-HNNXBMFYSA-N -1 3 350.390 3.337 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)c3cc4cccc(F)c4o3)[n-]c21 ZINC000158408384 496695917 /nfs/dbraw/zinc/69/59/17/496695917.db2.gz IJDYLJDLACQQNV-UHFFFAOYSA-N -1 3 353.309 3.487 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cc4cccc(F)c4o3)nc21 ZINC000158408384 496695922 /nfs/dbraw/zinc/69/59/22/496695922.db2.gz IJDYLJDLACQQNV-UHFFFAOYSA-N -1 3 353.309 3.487 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)CNc3c(C)cccc3C)[n-]c21 ZINC000158423762 496699178 /nfs/dbraw/zinc/69/91/78/496699178.db2.gz ZVNSIXYGNZATMX-UHFFFAOYSA-N -1 3 352.394 3.017 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)CNc3c(C)cccc3C)nc21 ZINC000158423762 496699179 /nfs/dbraw/zinc/69/91/79/496699179.db2.gz ZVNSIXYGNZATMX-UHFFFAOYSA-N -1 3 352.394 3.017 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)Cc3c[nH]c4cccc(C)c34)[n-]c21 ZINC000158441512 496702890 /nfs/dbraw/zinc/70/28/90/496702890.db2.gz ZCAYLDIFZYNPJR-UHFFFAOYSA-N -1 3 362.389 3.320 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)Cc3c[nH]c4cccc(C)c34)nc21 ZINC000158441512 496702896 /nfs/dbraw/zinc/70/28/96/496702896.db2.gz ZCAYLDIFZYNPJR-UHFFFAOYSA-N -1 3 362.389 3.320 20 0 FGADHM O=S(=O)([N-]c1ccccc1Cl)c1ccc(OCC(F)(F)F)nc1 ZINC000182258848 496721355 /nfs/dbraw/zinc/72/13/55/496721355.db2.gz XXPCLEGQRCNAIU-UHFFFAOYSA-N -1 3 366.748 3.477 20 0 FGADHM CC(C)n1cccc1C(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000179278584 496724978 /nfs/dbraw/zinc/72/49/78/496724978.db2.gz ZACHXXOKGMLXGQ-UHFFFAOYSA-N -1 3 355.438 3.266 20 0 FGADHM CCNc1cc(C)ccc1NC(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC000191352962 496734837 /nfs/dbraw/zinc/73/48/37/496734837.db2.gz UJWOJVABCJEEJC-UHFFFAOYSA-N -1 3 355.438 3.199 20 0 FGADHM CC(C)Cc1nc(C(=O)Nc2ccc(F)c([N-]S(C)(=O)=O)c2)cs1 ZINC000194864026 496739847 /nfs/dbraw/zinc/73/98/47/496739847.db2.gz FVJPIBKCXHYORX-UHFFFAOYSA-N -1 3 371.459 3.105 20 0 FGADHM C[C@@]1(c2ccc(-c3nc(C4CCCCCC4)no3)cc2)NC(=O)[N-]C1=O ZINC000580893682 505862991 /nfs/dbraw/zinc/86/29/91/505862991.db2.gz ZUVBIBYABYDRPJ-IBGZPJMESA-N -1 3 354.410 3.229 20 0 FGADHM CSc1nnc(NC(=O)Cc2ccc(NC(=O)OC(C)(C)C)cc2)[n-]1 ZINC000263857073 496746452 /nfs/dbraw/zinc/74/64/52/496746452.db2.gz GLFKRUAHXPBBNR-UHFFFAOYSA-N -1 3 363.443 3.055 20 0 FGADHM CSc1n[n-]c(NC(=O)Cc2ccc(NC(=O)OC(C)(C)C)cc2)n1 ZINC000263857073 496746456 /nfs/dbraw/zinc/74/64/56/496746456.db2.gz GLFKRUAHXPBBNR-UHFFFAOYSA-N -1 3 363.443 3.055 20 0 FGADHM CSc1nc(NC(=O)Cc2ccc(NC(=O)OC(C)(C)C)cc2)n[n-]1 ZINC000263857073 496746461 /nfs/dbraw/zinc/74/64/61/496746461.db2.gz GLFKRUAHXPBBNR-UHFFFAOYSA-N -1 3 363.443 3.055 20 0 FGADHM O=C([N-]c1nnc(Cc2ccc(F)cc2)s1)c1cn2ccnc2s1 ZINC000188304866 496748338 /nfs/dbraw/zinc/74/83/38/496748338.db2.gz KUCXDPVIBAVTGY-UHFFFAOYSA-N -1 3 359.411 3.230 20 0 FGADHM CC(C)Oc1ccc(NC(=O)c2cnc3c(cnn3C)c2[O-])c(Cl)c1 ZINC000188315465 496750397 /nfs/dbraw/zinc/75/03/97/496750397.db2.gz XJABOJHKQWUKEV-UHFFFAOYSA-N -1 3 360.801 3.367 20 0 FGADHM O=C(c1c[n-]c2c(F)cc(F)cc2c1=O)N1CCC(c2ccncc2)CC1 ZINC000574834505 505863996 /nfs/dbraw/zinc/86/39/96/505863996.db2.gz IRKYBRXVYIVHQB-UHFFFAOYSA-N -1 3 369.371 3.221 20 0 FGADHM Cc1ccc(Cc2nnc([N-]C(=O)c3cn4ccnc4s3)s2)cc1 ZINC000188355815 496761273 /nfs/dbraw/zinc/76/12/73/496761273.db2.gz DDZVFKVUWFZIGV-UHFFFAOYSA-N -1 3 355.448 3.399 20 0 FGADHM Cc1cc([N-]C(=O)[C@@H](C)S(=O)(=O)Cc2c(C)ccc3ccccc32)on1 ZINC000268784035 496783867 /nfs/dbraw/zinc/78/38/67/496783867.db2.gz ZBNXIGFMWUDDOF-CQSZACIVSA-N -1 3 372.446 3.387 20 0 FGADHM CCCc1c(NC([O-])=NOC[C@@H]2CCOC2)cnn1-c1ccc(C)cc1 ZINC000277500106 496793642 /nfs/dbraw/zinc/79/36/42/496793642.db2.gz PJWDVLMUTISZNG-OAHLLOKOSA-N -1 3 358.442 3.223 20 0 FGADHM CCCc1c(NC(=O)[N-]OC[C@@H]2CCOC2)cnn1-c1ccc(C)cc1 ZINC000277500106 496793646 /nfs/dbraw/zinc/79/36/46/496793646.db2.gz PJWDVLMUTISZNG-OAHLLOKOSA-N -1 3 358.442 3.223 20 0 FGADHM O=C(NCCc1ccc2c(c1)OCO2)c1cc([O-])ccc1C(F)(F)F ZINC000195058937 496808737 /nfs/dbraw/zinc/80/87/37/496808737.db2.gz YGLXIXFGEDOJND-UHFFFAOYSA-N -1 3 353.296 3.112 20 0 FGADHM CCc1ccc(C(=O)N2CCC[C@H](C3N=NC(=S)N3C(C)C)C2)c([O-])c1 ZINC000191569231 496815976 /nfs/dbraw/zinc/81/59/76/496815976.db2.gz JZQVELMBGLIKHF-AWEZNQCLSA-N -1 3 374.510 3.436 20 0 FGADHM CNC(=O)c1cc(NC(=O)c2cn[n-]c2-c2ccsc2)ccc1Cl ZINC000188515275 496816033 /nfs/dbraw/zinc/81/60/33/496816033.db2.gz HTVNVCKGTIYHGK-UHFFFAOYSA-N -1 3 360.826 3.404 20 0 FGADHM CNC(=O)c1cc(NC(=O)c2c[n-]nc2-c2ccsc2)ccc1Cl ZINC000188515275 496816039 /nfs/dbraw/zinc/81/60/39/496816039.db2.gz HTVNVCKGTIYHGK-UHFFFAOYSA-N -1 3 360.826 3.404 20 0 FGADHM Cc1nccn1-c1ccccc1C[N-]S(=O)(=O)c1c(C)cccc1F ZINC000574850476 505867811 /nfs/dbraw/zinc/86/78/11/505867811.db2.gz NKTZFWNOIYTUMU-UHFFFAOYSA-N -1 3 359.426 3.107 20 0 FGADHM O=C(NCCOC1CCCC1)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000188521476 496818536 /nfs/dbraw/zinc/81/85/36/496818536.db2.gz SPGNGXKMAQPLQO-UHFFFAOYSA-N -1 3 353.418 3.312 20 0 FGADHM O=S(=O)([N-]c1ccc(OC2COC2)cc1)c1ccc(C(F)(F)F)cc1 ZINC000188590418 496844160 /nfs/dbraw/zinc/84/41/60/496844160.db2.gz XMTWEKOMPXJFDQ-UHFFFAOYSA-N -1 3 373.352 3.284 20 0 FGADHM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(OC2COC2)cc1 ZINC000188593450 496845370 /nfs/dbraw/zinc/84/53/70/496845370.db2.gz QQOSPEPRUQUZNC-UHFFFAOYSA-N -1 3 353.827 3.227 20 0 FGADHM COc1ccc(C(=O)N2CCc3c(Br)cccc3C2)c([O-])c1 ZINC000195204006 496849202 /nfs/dbraw/zinc/84/92/02/496849202.db2.gz HLLWKOXJXVNBBX-UHFFFAOYSA-N -1 3 362.223 3.362 20 0 FGADHM CC(C)c1ccc(-n2cc([O-])c(C(=O)N3C[C@@H]4CCCN4C[C@H]3C)n2)cc1 ZINC000247437452 496858318 /nfs/dbraw/zinc/85/83/18/496858318.db2.gz MXXMOERFQMISBJ-QAPCUYQASA-N -1 3 368.481 3.010 20 0 FGADHM Cc1c(C(=O)[N-]c2nc(C(C)(C)C)ns2)nnn1Cc1ccc(F)cc1 ZINC000277743836 496873010 /nfs/dbraw/zinc/87/30/10/496873010.db2.gz YQZGRUYBFXVKTP-UHFFFAOYSA-N -1 3 374.445 3.175 20 0 FGADHM CC(C)c1ncc(-c2nc(-c3ccc([N-]S(C)(=O)=O)cc3)no2)s1 ZINC000273807223 496915289 /nfs/dbraw/zinc/91/52/89/496915289.db2.gz WIPSBVVEGCYKDX-UHFFFAOYSA-N -1 3 364.452 3.355 20 0 FGADHM Cc1ncncc1-c1nc(Cc2nc(=O)c3c(C4CC4)csc3[n-]2)no1 ZINC000273831736 496923870 /nfs/dbraw/zinc/92/38/70/496923870.db2.gz YGOUHRIONVMWPD-UHFFFAOYSA-N -1 3 366.406 3.014 20 0 FGADHM CCOc1ccc(NC(=O)c2cccc3nn[n-]c32)cc1Br ZINC000188875398 496934034 /nfs/dbraw/zinc/93/40/34/496934034.db2.gz HFKCILJJZSFLHS-UHFFFAOYSA-N -1 3 361.199 3.371 20 0 FGADHM CCOc1ccc(NC(=O)c2cccc3[n-]nnc32)cc1Br ZINC000188875398 496934037 /nfs/dbraw/zinc/93/40/37/496934037.db2.gz HFKCILJJZSFLHS-UHFFFAOYSA-N -1 3 361.199 3.371 20 0 FGADHM CCOc1ccc(NC(=O)c2cccc3n[n-]nc32)cc1Br ZINC000188875398 496934042 /nfs/dbraw/zinc/93/40/42/496934042.db2.gz HFKCILJJZSFLHS-UHFFFAOYSA-N -1 3 361.199 3.371 20 0 FGADHM CCN1CCC(n2nccc2NC(=O)c2cc(F)c([O-])c(Cl)c2)CC1 ZINC000277914514 496934151 /nfs/dbraw/zinc/93/41/51/496934151.db2.gz DQDLNSYOSOXTRR-UHFFFAOYSA-N -1 3 366.824 3.290 20 0 FGADHM O=S(=O)([N-]Cc1ccc(Oc2ccccc2)nc1)c1ccccc1F ZINC000195481925 496935791 /nfs/dbraw/zinc/93/57/91/496935791.db2.gz DVOOJRLSPOZCKT-UHFFFAOYSA-N -1 3 358.394 3.492 20 0 FGADHM CCCCc1nc(C(=O)OCC)c(NC(=O)c2cccc(COC)c2)[n-]1 ZINC000191963241 496945478 /nfs/dbraw/zinc/94/54/78/496945478.db2.gz ASFDAALNKPVCBL-UHFFFAOYSA-N -1 3 359.426 3.328 20 0 FGADHM CCCCc1nc(NC(=O)c2cccc(COC)c2)c(C(=O)OCC)[n-]1 ZINC000191963241 496945483 /nfs/dbraw/zinc/94/54/83/496945483.db2.gz ASFDAALNKPVCBL-UHFFFAOYSA-N -1 3 359.426 3.328 20 0 FGADHM COc1ccc2nc(NC(=O)c3n[n-]nc3-c3ccccc3)sc2c1 ZINC000188922333 496949482 /nfs/dbraw/zinc/94/94/82/496949482.db2.gz WFLWYLQLHOMSFT-UHFFFAOYSA-N -1 3 351.391 3.342 20 0 FGADHM C[C@]1(Cc2cccc(F)c2)CCCN1C(=O)c1c[n-]c2ccncc2c1=O ZINC000580953868 505875932 /nfs/dbraw/zinc/87/59/32/505875932.db2.gz FLKJSGDYVHFUBC-OAQYLSRUSA-N -1 3 365.408 3.300 20 0 FGADHM CCN(C(=O)C(=O)[N-]c1cnns1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000192004208 496960837 /nfs/dbraw/zinc/96/08/37/496960837.db2.gz CEJCWVFYLBJVDK-VIFPVBQESA-N -1 3 372.372 3.105 20 0 FGADHM COc1ccc([O-])c(C(=O)NCc2cccc(NC(=O)C3CCCC3)c2)c1 ZINC000195708582 496961791 /nfs/dbraw/zinc/96/17/91/496961791.db2.gz WPNZOVVGSMMUDO-UHFFFAOYSA-N -1 3 368.433 3.460 20 0 FGADHM O=C(NCCc1ccc2c(c1)OCCO2)c1cc([O-])ccc1C(F)(F)F ZINC000189004653 496976174 /nfs/dbraw/zinc/97/61/74/496976174.db2.gz FELSJWOPZRXWPS-UHFFFAOYSA-N -1 3 367.323 3.155 20 0 FGADHM CN(C)c1ccc(NC(=O)c2ccc(C(=O)c3cccc([O-])c3)cc2)nc1 ZINC000189029760 496983377 /nfs/dbraw/zinc/98/33/77/496983377.db2.gz PVEHNEHKGRWFHE-UHFFFAOYSA-N -1 3 361.401 3.337 20 0 FGADHM C[C@H](Sc1n[n-]c(-c2ccccn2)n1)c1nnnn1C1CCCCC1 ZINC000189035367 496985922 /nfs/dbraw/zinc/98/59/22/496985922.db2.gz OUGITCBWQDMGGT-NSHDSACASA-N -1 3 356.459 3.212 20 0 FGADHM O=C([N-]c1cnns1)C(=O)Nc1ccc(OC2CCCC2)c(Cl)c1 ZINC000192084675 496990405 /nfs/dbraw/zinc/99/04/05/496990405.db2.gz ORNOZGFZZWPDHZ-UHFFFAOYSA-N -1 3 366.830 3.090 20 0 FGADHM O=C([N-]c1cnns1)C(=O)N(Cc1ccccc1Cl)C1CCCC1 ZINC000192087798 496990642 /nfs/dbraw/zinc/99/06/42/496990642.db2.gz NDOQHPKNVPCSAP-UHFFFAOYSA-N -1 3 364.858 3.101 20 0 FGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)C[C@@H]1CCc2ccccc2C1 ZINC000264951166 497017417 /nfs/dbraw/zinc/01/74/17/497017417.db2.gz VIIJKLHWZVYTNC-CQSZACIVSA-N -1 3 358.463 3.192 20 0 FGADHM CCOC(=O)c1[n-]c(C)nc1NC(=O)[C@H](C)Cc1cncc2ccccc21 ZINC000580974947 505880555 /nfs/dbraw/zinc/88/05/55/505880555.db2.gz RXOYYLYLNZTYNG-GFCCVEGCSA-N -1 3 366.421 3.260 20 0 FGADHM CCOC(=O)c1nc(C)[n-]c1NC(=O)[C@H](C)Cc1cncc2ccccc21 ZINC000580974947 505880558 /nfs/dbraw/zinc/88/05/58/505880558.db2.gz RXOYYLYLNZTYNG-GFCCVEGCSA-N -1 3 366.421 3.260 20 0 FGADHM Cc1cc(C)nc(NC(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)c1 ZINC000274186759 497036016 /nfs/dbraw/zinc/03/60/16/497036016.db2.gz NOBVQCXRMWNHNX-UHFFFAOYSA-N -1 3 368.437 3.287 20 0 FGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1cc(C)cc(Br)c1 ZINC000189213210 497047346 /nfs/dbraw/zinc/04/73/46/497047346.db2.gz HNGAQPDKGUQOFP-UHFFFAOYSA-N -1 3 368.256 3.123 20 0 FGADHM C[C@@H](N1CCN(C(=O)c2cc([O-])ccc2C(F)(F)F)CC1)C(F)(F)F ZINC000189219285 497049514 /nfs/dbraw/zinc/04/95/14/497049514.db2.gz PYIJYWHIYYBYDL-SECBINFHSA-N -1 3 370.293 3.120 20 0 FGADHM O=C(NC[C@H](CCO)c1ccccc1)c1cc([O-])ccc1C(F)(F)F ZINC000189249666 497058416 /nfs/dbraw/zinc/05/84/16/497058416.db2.gz DCOSMWLFLUBASD-ZDUSSCGKSA-N -1 3 353.340 3.307 20 0 FGADHM CCS[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000225359028 497060692 /nfs/dbraw/zinc/06/06/92/497060692.db2.gz UOORMYPLJDMSAL-DTWKUNHWSA-N -1 3 370.359 3.463 20 0 FGADHM CC(C)[C@@H]1CCC[C@@H](NC(=O)c2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)CC1 ZINC000248636056 497066832 /nfs/dbraw/zinc/06/68/32/497066832.db2.gz KUNRLVSKUUCZOQ-ZVGUJKQYSA-N -1 3 371.481 3.076 20 0 FGADHM C[C@@H]1CCN(C(=O)C[C@@H]2Oc3ccccc3NC2=O)c2c([O-])cccc21 ZINC000274386926 497085258 /nfs/dbraw/zinc/08/52/58/497085258.db2.gz OJVZEIGAJQBXPR-PXAZEXFGSA-N -1 3 352.390 3.022 20 0 FGADHM CCS(=O)(=O)c1ccc(CC(=O)N2CC[C@H](C)c3cccc([O-])c32)cc1 ZINC000274392893 497088057 /nfs/dbraw/zinc/08/80/57/497088057.db2.gz PUVQJLOWQPELJB-AWEZNQCLSA-N -1 3 373.474 3.269 20 0 FGADHM COc1ccc(Br)cc1CN1CC[C@](C(=O)[O-])(C(C)C)C1 ZINC000234814714 497113711 /nfs/dbraw/zinc/11/37/11/497113711.db2.gz IHNWUSBUFOYKQJ-MRXNPFEDSA-N -1 3 356.260 3.390 20 0 FGADHM CCN(CC)C(=O)c1cccc([N-]S(=O)(=O)CCc2cccs2)c1 ZINC000572087057 505885711 /nfs/dbraw/zinc/88/57/11/505885711.db2.gz QEAIRKWZWCTDGJ-UHFFFAOYSA-N -1 3 366.508 3.215 20 0 FGADHM CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)c1ccc(C(=O)[O-])o1 ZINC000236604504 497120152 /nfs/dbraw/zinc/12/01/52/497120152.db2.gz ABZSZQVPOKXIRM-GOSISDBHSA-N -1 3 370.449 3.181 20 0 FGADHM C[C@@H](NC(=O)c1cc([O-])ccc1Cl)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000574931185 505885735 /nfs/dbraw/zinc/88/57/35/505885735.db2.gz FSSVUCYQIAGCBU-KUHUBIRLSA-N -1 3 374.868 3.065 20 0 FGADHM COc1cccc(Cc2nnc([N-]C(=O)c3cncnc3C3CC3)s2)c1 ZINC000580995331 505886816 /nfs/dbraw/zinc/88/68/16/505886816.db2.gz SRQWJESDABPBAI-UHFFFAOYSA-N -1 3 367.434 3.057 20 0 FGADHM 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Cc1ccc(-c2cc(C(=O)Nc3cc(C(=O)NC4CC4)ccc3C)n[n-]2)o1 ZINC000194528337 497696002 /nfs/dbraw/zinc/69/60/02/497696002.db2.gz FDAYMZFCEGTPIP-UHFFFAOYSA-N -1 3 364.405 3.431 20 0 FGADHM Cc1ccc(-c2cc(C(=O)Nc3cc(C(=O)NC4CC4)ccc3C)[n-]n2)o1 ZINC000194528337 497696007 /nfs/dbraw/zinc/69/60/07/497696007.db2.gz FDAYMZFCEGTPIP-UHFFFAOYSA-N -1 3 364.405 3.431 20 0 FGADHM O=C(Nc1cccc([O-])c1F)[C@@H]1Cc2cc(Br)ccc2O1 ZINC000194529756 497696106 /nfs/dbraw/zinc/69/61/06/497696106.db2.gz BZNKCQMHMQKQEL-ZDUSSCGKSA-N -1 3 352.159 3.236 20 0 FGADHM CO[C@H]1CC[C@@H]([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)C1 ZINC000191059442 497697287 /nfs/dbraw/zinc/69/72/87/497697287.db2.gz HBBOPSJXIDBBQO-ZJUUUORDSA-N -1 3 357.781 3.205 20 0 FGADHM Cc1ccc(CS(=O)(=O)[N-]c2cccc(-c3nccn3C)c2)c(F)c1 ZINC000194567310 497706659 /nfs/dbraw/zinc/70/66/59/497706659.db2.gz JESHTUXHDWZEKY-UHFFFAOYSA-N -1 3 359.426 3.477 20 0 FGADHM CCOC(=O)c1csc(C[N-]C(=O)C(F)(F)c2ccc(C)cc2)n1 ZINC000272705963 497707999 /nfs/dbraw/zinc/70/79/99/497707999.db2.gz CHHYATZEGJMPCJ-UHFFFAOYSA-N -1 3 354.378 3.036 20 0 FGADHM CC(C)(C)n1cc(C(=O)[N-]c2nnc(-c3cccc(Cl)c3)s2)nn1 ZINC000191142843 497723404 /nfs/dbraw/zinc/72/34/04/497723404.db2.gz FXDXJVYOSIESOS-UHFFFAOYSA-N -1 3 362.846 3.457 20 0 FGADHM C[C@]1(C(=O)[O-])CCN(CC(=O)N(Cc2ccccc2)c2ccccc2)C1 ZINC000263210421 497734048 /nfs/dbraw/zinc/73/40/48/497734048.db2.gz WMRILZXJCCPGQM-NRFANRHFSA-N -1 3 352.434 3.016 20 0 FGADHM COCc1nc(SCC(=O)N[C@H](c2ccccc2)C2CCCCC2)n[n-]1 ZINC000268460025 497755827 /nfs/dbraw/zinc/75/58/27/497755827.db2.gz DPQIJKKXDBQKDX-GOSISDBHSA-N -1 3 374.510 3.481 20 0 FGADHM C[C@@H]1C[C@@H](C(=O)[O-])CN([C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000263318165 497756806 /nfs/dbraw/zinc/75/68/06/497756806.db2.gz JAPYICZQYADYAC-UEKVPHQBSA-N -1 3 371.264 3.141 20 0 FGADHM CC(C)c1nnc2ccc([N-]S(=O)(=O)Cc3c(F)cccc3F)cn21 ZINC000194759392 497762919 /nfs/dbraw/zinc/76/29/19/497762919.db2.gz GSMIETBUVIQGOX-UHFFFAOYSA-N -1 3 366.393 3.073 20 0 FGADHM CCN(C(=O)CN1C[C@H](C)C[C@H](C(=O)[O-])C1)c1cccc2ccccc21 ZINC000263367810 497769551 /nfs/dbraw/zinc/76/95/51/497769551.db2.gz UKHFREUWHSPWIA-WBVHZDCISA-N -1 3 354.450 3.235 20 0 FGADHM COCc1nc(SCC(=O)N(Cc2cccc(F)c2)C(C)(C)C)n[n-]1 ZINC000268518331 497771531 /nfs/dbraw/zinc/77/15/31/497771531.db2.gz ZBTSTRFAARWAKX-UHFFFAOYSA-N -1 3 366.462 3.010 20 0 FGADHM Cc1ccc(CN[C@H](CC(=O)OC(C)(C)C)C(=O)[O-])c(Br)c1 ZINC000277242884 497786992 /nfs/dbraw/zinc/78/69/92/497786992.db2.gz JHTCPZIWOHFVQF-CYBMUJFWSA-N -1 3 372.259 3.032 20 0 FGADHM COc1cc(Br)c(CN[C@H](C)CCCC(=O)[O-])c(OC)c1 ZINC000277250723 497788288 /nfs/dbraw/zinc/78/82/88/497788288.db2.gz JYMRWYBBKBFENB-SNVBAGLBSA-N -1 3 360.248 3.199 20 0 FGADHM CC[C@@H]1C[C@@H](CC(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)CCO1 ZINC000273054537 497791565 /nfs/dbraw/zinc/79/15/65/497791565.db2.gz WDVMIDNTUJKLEQ-DOTOQJQBSA-N -1 3 374.481 3.165 20 0 FGADHM COc1ccccc1C[C@H](CNCc1csc(C(C)(C)C)n1)C(=O)[O-] ZINC000277289169 497795724 /nfs/dbraw/zinc/79/57/24/497795724.db2.gz MKFFQGGIOJBAIL-CQSZACIVSA-N -1 3 362.495 3.482 20 0 FGADHM COc1ccc(Br)c(CN2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)c1 ZINC000263577242 497802711 /nfs/dbraw/zinc/80/27/11/497802711.db2.gz RHMYKNOZBAPEOM-BLLLJJGKSA-N -1 3 354.244 3.144 20 0 FGADHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-][C@H](C)CCCC(F)(F)F ZINC000578402254 505930708 /nfs/dbraw/zinc/93/07/08/505930708.db2.gz QJZHYOWDSWVIBU-MRVPVSSYSA-N -1 3 371.377 3.082 20 0 FGADHM CCc1[nH]n(C)c2nnc([N-]C(=O)c3c(F)cc(C(F)(F)F)cc3F)c1-2 ZINC000291980578 497823465 /nfs/dbraw/zinc/82/34/65/497823465.db2.gz QUWRQVJMBCUJFG-UHFFFAOYSA-N -1 3 373.285 3.408 20 0 FGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)NCCC1CCCC1 ZINC000299530752 497837145 /nfs/dbraw/zinc/83/71/45/497837145.db2.gz RGXDSDMAKBPNII-UHFFFAOYSA-N -1 3 354.454 3.182 20 0 FGADHM CCc1ccc(C(=O)N2CCC(C(=O)Nc3cccc(C)n3)CC2)c([O-])c1 ZINC000364235320 497854073 /nfs/dbraw/zinc/85/40/73/497854073.db2.gz QAPTXJLKFJDJBJ-UHFFFAOYSA-N -1 3 367.449 3.149 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](c2nc(C)cs2)C(F)(F)F)c1 ZINC000295961081 497869255 /nfs/dbraw/zinc/86/92/55/497869255.db2.gz NAWJZVILDZLEEO-GFCCVEGCSA-N -1 3 373.356 3.149 20 0 FGADHM Cc1c(Br)ccc([O-])c1NC(=O)CNC(=O)C1CCCCC1 ZINC000295984707 497879574 /nfs/dbraw/zinc/87/95/74/497879574.db2.gz IXSSEOCDIKNBAK-UHFFFAOYSA-N -1 3 369.259 3.098 20 0 FGADHM CS(=O)(=O)[N-]c1cc(C(=O)N(Cc2cccs2)C2CC2)ccc1F ZINC000299670533 497889643 /nfs/dbraw/zinc/88/96/43/497889643.db2.gz SOLYIFBOTYRRPE-UHFFFAOYSA-N -1 3 368.455 3.064 20 0 FGADHM Cc1csc(=O)n1CCC(=O)Nc1c([O-])ccc(Br)c1C ZINC000296011432 497889922 /nfs/dbraw/zinc/88/99/22/497889922.db2.gz KMGWLTZQWYXVEU-UHFFFAOYSA-N -1 3 371.256 3.024 20 0 FGADHM CC[C@@H](Oc1ccccc1Cl)C(=O)[N-]c1ncnn1-c1ccccc1 ZINC000575212696 505943572 /nfs/dbraw/zinc/94/35/72/505943572.db2.gz AWWXTAOCJGADMQ-OAHLLOKOSA-N -1 3 356.813 3.139 20 0 FGADHM CS(=O)(=O)[N-]c1cc(C(=O)N[C@@H](c2ccccc2)C2CC2)ccc1F ZINC000299692223 497897042 /nfs/dbraw/zinc/89/70/42/497897042.db2.gz ZSMPYKWJSXDPPG-KRWDZBQOSA-N -1 3 362.426 3.078 20 0 FGADHM Cc1nc(C)c(CCC(=O)N2Cc3ccccc3SC[C@@H]2C)c(=O)[n-]1 ZINC000364330882 497903864 /nfs/dbraw/zinc/90/38/64/497903864.db2.gz WRZMMRXJSFGAJT-LBPRGKRZSA-N -1 3 357.479 3.255 20 0 FGADHM CCCNC(=O)CCCC(=O)Nc1c(C)c(Br)ccc1[O-] ZINC000296124114 497929273 /nfs/dbraw/zinc/92/92/73/497929273.db2.gz QSCMDBZLUBNSMS-UHFFFAOYSA-N -1 3 357.248 3.098 20 0 FGADHM O=C(c1c[n-]c2c(OC(F)(F)F)cccc2c1=O)N1C2CCC1CC2 ZINC000575241824 505949360 /nfs/dbraw/zinc/94/93/60/505949360.db2.gz RRAINKPBPXUMFR-UHFFFAOYSA-N -1 3 352.312 3.194 20 0 FGADHM Cc1noc(C2CC2)c1[N-]C(=O)c1n[nH]c(C2CC2)c1Br ZINC000329869713 497934654 /nfs/dbraw/zinc/93/46/54/497934654.db2.gz ZGAYQNZBLTYMQP-UHFFFAOYSA-N -1 3 351.204 3.476 20 0 FGADHM CN(C(=O)c1cc(=O)[n-]c(C2CC2)n1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000569502993 505950543 /nfs/dbraw/zinc/95/05/43/505950543.db2.gz ONADGEGQKPDFSL-NVXWUHKLSA-N -1 3 371.412 3.191 20 0 FGADHM Cc1cn2c(n1)[C@H](C[N-]S(=O)(=O)c1cc(C)c(Cl)s1)CCC2 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3.098 20 0 FGADHM CCCc1ncc(CNC(=O)NCc2ccc([O-])c(Br)c2)o1 ZINC000575330985 505963456 /nfs/dbraw/zinc/96/34/56/505963456.db2.gz RKOWAMLMELUIFW-UHFFFAOYSA-N -1 3 368.231 3.095 20 0 FGADHM CCc1ccc([C@H]2CCN(C(=O)c3ccc([N-]S(C)(=O)=O)cc3)C2)cc1 ZINC000578539251 505963891 /nfs/dbraw/zinc/96/38/91/505963891.db2.gz IWOYQPPJBHVRKT-SFHVURJKSA-N -1 3 372.490 3.250 20 0 FGADHM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)c2nccn21 ZINC000569557476 505964212 /nfs/dbraw/zinc/96/42/12/505964212.db2.gz IFRLTYIZBMLOGK-GZMMTYOYSA-N -1 3 363.336 3.025 20 0 FGADHM C[C@]1(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)CCO[C@@H]1C1CC1 ZINC000575386613 505970491 /nfs/dbraw/zinc/97/04/91/505970491.db2.gz MDCUUNZTSCPIQW-CHWSQXEVSA-N -1 3 369.430 3.250 20 0 FGADHM COc1ccc(Cc2noc(-c3n[n-]nc3-c3ccccc3)n2)cc1OC ZINC000575364037 505967681 /nfs/dbraw/zinc/96/76/81/505967681.db2.gz JFALATXDFJBGDT-UHFFFAOYSA-N -1 3 363.377 3.130 20 0 FGADHM CO[C@@H](c1ccccc1F)[C@@H](C)NC(=O)c1c[n-]nc1-c1ccccn1 ZINC000578565988 505969513 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CC[C@H](NC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)c1ccccc1 ZINC000281228786 498064851 /nfs/dbraw/zinc/06/48/51/498064851.db2.gz OYFMOIDGKHKFCL-HNNXBMFYSA-N -1 3 371.403 3.238 20 0 FGADHM Cc1ncc(C)c(N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)n1 ZINC000581379983 505974885 /nfs/dbraw/zinc/97/48/85/505974885.db2.gz DEJLSSZAGICQTM-UHFFFAOYSA-N -1 3 360.845 3.308 20 0 FGADHM O=S(=O)([N-][C@H]1CCO[C@@H]1c1cccnc1)c1cc(Cl)ccc1Cl ZINC000281288239 498090188 /nfs/dbraw/zinc/09/01/88/498090188.db2.gz XXLNENZNIJAFGU-DZGCQCFKSA-N -1 3 373.261 3.197 20 0 FGADHM CS(=O)(=O)[N-]c1cc(NC(=O)C(C2CCC2)C2CCC2)ccc1F ZINC000285463403 498094620 /nfs/dbraw/zinc/09/46/20/498094620.db2.gz NJQRKNAYPDQGOS-UHFFFAOYSA-N -1 3 354.447 3.352 20 0 FGADHM CC(C)n1ncc2c1nc(C1CC1)cc2-c1nc(-c2cc(=O)[n-]cn2)no1 ZINC000572482324 505979826 /nfs/dbraw/zinc/97/98/26/505979826.db2.gz MKGCDBGVSHVNKZ-UHFFFAOYSA-N -1 3 363.381 3.102 20 0 FGADHM COC(=O)c1cnc(SCCCCOc2c(OC)cccc2OC)[n-]1 ZINC000289367008 498121634 /nfs/dbraw/zinc/12/16/34/498121634.db2.gz NSHYJQQONBKFDZ-UHFFFAOYSA-N -1 3 366.439 3.165 20 0 FGADHM CCOc1cc(-c2noc(-c3cc(C)nc4c3cnn4C)n2)ccc1[O-] ZINC000350797477 498137436 /nfs/dbraw/zinc/13/74/36/498137436.db2.gz XXQRAJDOBUFVTE-UHFFFAOYSA-N -1 3 351.366 3.098 20 0 FGADHM CCC(=O)c1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCOC3(CCC3)C2)c1 ZINC000281408107 498139688 /nfs/dbraw/zinc/13/96/88/498139688.db2.gz HQTPKSNHQBXVPK-CYBMUJFWSA-N -1 3 371.886 3.313 20 0 FGADHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H](c2nccs2)C(F)(F)F)c1 ZINC000292776701 498143394 /nfs/dbraw/zinc/14/33/94/498143394.db2.gz KDZZCXWBLPGVSO-NSHDSACASA-N -1 3 350.387 3.342 20 0 FGADHM C[C@H](NC(=O)CNC(=O)c1ccc([O-])cc1)c1ccc(Cl)cc1Cl ZINC000569660498 505985973 /nfs/dbraw/zinc/98/59/73/505985973.db2.gz JVVJEUKWXNFJFH-JTQLQIEISA-N -1 3 367.232 3.306 20 0 FGADHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C(C)(C)C)s1)[C@@H](O)C(F)(F)F ZINC000330568731 498153048 /nfs/dbraw/zinc/15/30/48/498153048.db2.gz WXYGAZSHHXETPH-LDYMZIIASA-N -1 3 359.435 3.026 20 0 FGADHM Cc1ccc(-c2noc(CN3C[C@H](C(=O)[O-])[C@@H](c4ccccc4)C3)n2)cc1 ZINC000572521813 505988959 /nfs/dbraw/zinc/98/89/59/505988959.db2.gz TZYLHEPOQWUYRL-MSOLQXFVSA-N -1 3 363.417 3.345 20 0 FGADHM CCC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)[N-]c1nccn1-c1ccccc1 ZINC000569671708 505989325 /nfs/dbraw/zinc/98/93/25/505989325.db2.gz RNXVLRSKOPQPRM-WBVHZDCISA-N -1 3 354.454 3.286 20 0 FGADHM Cc1ccc(N2CCOCC2)cc1NC(=O)c1cc(-c2ccco2)[n-]n1 ZINC000281502171 498173429 /nfs/dbraw/zinc/17/34/29/498173429.db2.gz FOZBQRNDQYJIPW-UHFFFAOYSA-N -1 3 352.394 3.067 20 0 FGADHM Cc1ccc(N2CCOCC2)cc1NC(=O)c1cc(-c2ccco2)n[n-]1 ZINC000281502171 498173436 /nfs/dbraw/zinc/17/34/36/498173436.db2.gz FOZBQRNDQYJIPW-UHFFFAOYSA-N -1 3 352.394 3.067 20 0 FGADHM CCc1ccccc1NC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000289530542 498182993 /nfs/dbraw/zinc/18/29/93/498182993.db2.gz ONUPXWIMUMWIIR-LBPRGKRZSA-N -1 3 357.376 3.171 20 0 FGADHM CCc1cccc(NC(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)c1 ZINC000289569105 498196603 /nfs/dbraw/zinc/19/66/03/498196603.db2.gz RQKOKLRCIYVANS-ZDUSSCGKSA-N -1 3 357.376 3.171 20 0 FGADHM O=C([N-]C[C@@H]1CCCN(C(=O)Nc2ccc3c(c2)CCC3)C1)C(F)(F)F ZINC000289570984 498198720 /nfs/dbraw/zinc/19/87/20/498198720.db2.gz RWJPEZJEEPVFNJ-LBPRGKRZSA-N -1 3 369.387 3.098 20 0 FGADHM CC[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)C1CCOCC1 ZINC000331007452 498236186 /nfs/dbraw/zinc/23/61/86/498236186.db2.gz TWRMEFJQZSNJEW-CYBMUJFWSA-N -1 3 369.380 3.328 20 0 FGADHM Cc1ccc([C@H]2CCN(C(=O)c3ccc([N-]S(C)(=O)=O)cc3)C2)c(C)c1 ZINC000331027471 498237835 /nfs/dbraw/zinc/23/78/35/498237835.db2.gz WBDZILPTHUUVLZ-KRWDZBQOSA-N -1 3 372.490 3.305 20 0 FGADHM CC1(C)[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)[C@@H]2CCCO[C@@H]21 ZINC000572579935 506003081 /nfs/dbraw/zinc/00/30/81/506003081.db2.gz HUBHHDHHZAVWEL-GDLCADMTSA-N -1 3 364.294 3.475 20 0 FGADHM Cc1cc(NCC[N-]S(=O)(=O)c2cccs2)c2cccc(F)c2n1 ZINC000301780411 498260416 /nfs/dbraw/zinc/26/04/16/498260416.db2.gz NCIURBCGSWSQAA-UHFFFAOYSA-N -1 3 365.455 3.134 20 0 FGADHM COCc1ccc(OC)c(S(=O)(=O)[N-][C@H](c2ccccc2)C(F)F)c1 ZINC000293090661 498264364 /nfs/dbraw/zinc/26/43/64/498264364.db2.gz VPKUIEZCAFVQMF-MRXNPFEDSA-N -1 3 371.405 3.126 20 0 FGADHM CC(C)n1cc(S(=O)(=O)[N-]C[C@H]2CCCC[C@H]2C(F)(F)F)cn1 ZINC000331177666 498269078 /nfs/dbraw/zinc/26/90/78/498269078.db2.gz QJZKMSBVKGBJLG-DGCLKSJQSA-N -1 3 353.410 3.111 20 0 FGADHM CC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Cl)C1CCOCC1 ZINC000331202603 498274556 /nfs/dbraw/zinc/27/45/56/498274556.db2.gz WEUAYXKHVBJEJA-CYBMUJFWSA-N -1 3 352.283 3.477 20 0 FGADHM C[C@H]1[C@H](c2ccccc2)CCN1C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000331228013 498279775 /nfs/dbraw/zinc/27/97/75/498279775.db2.gz GEHPNBXDXFYSCW-KBXCAEBGSA-N -1 3 358.463 3.076 20 0 FGADHM CC(C)[C@@H](C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)c1ccccc1 ZINC000281873764 498299274 /nfs/dbraw/zinc/29/92/74/498299274.db2.gz ZROJUSZEQNQPNE-MRXNPFEDSA-N -1 3 370.415 3.343 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cncc(Cl)n3)c2)n1 ZINC000365109741 498300888 /nfs/dbraw/zinc/30/08/88/498300888.db2.gz FQMKQXZVXYULIE-UHFFFAOYSA-N -1 3 355.785 3.107 20 0 FGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@H](C1CC1)C(C)(C)CO ZINC000575840336 506015141 /nfs/dbraw/zinc/01/51/41/506015141.db2.gz OWFIUPNQQFAWLJ-OAHLLOKOSA-N -1 3 371.886 3.470 20 0 FGADHM Cc1cccc(C(=O)N2C[C@H]3CCC[C@@]3(c3nc(CC4CC4)no3)C2)c1[O-] ZINC000365169518 498332759 /nfs/dbraw/zinc/33/27/59/498332759.db2.gz JOGUMHZWNQVGGC-QVKFZJNVSA-N -1 3 367.449 3.230 20 0 FGADHM O=C([N-]c1ccc(Cl)cc1)c1nc([C@@H]2COc3ccccc3O2)no1 ZINC000581587212 506021312 /nfs/dbraw/zinc/02/13/12/506021312.db2.gz AXAQZHVOJISISV-AWEZNQCLSA-N -1 3 357.753 3.488 20 0 FGADHM O=C([O-])c1ccc(OCCN2CCC[C@]3(CCCOC3)C2)c(Cl)c1 ZINC000569817875 506023502 /nfs/dbraw/zinc/02/35/02/506023502.db2.gz CNRNJCRKHPSIRX-SFHVURJKSA-N -1 3 353.846 3.310 20 0 FGADHM CC(C)(COCc1ccccc1)C(=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000282165612 498408204 /nfs/dbraw/zinc/40/82/04/498408204.db2.gz NILJWGZGNAESLH-UHFFFAOYSA-N -1 3 351.410 3.048 20 0 FGADHM CC(C)(COCc1ccccc1)C(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000282165612 498408211 /nfs/dbraw/zinc/40/82/11/498408211.db2.gz NILJWGZGNAESLH-UHFFFAOYSA-N -1 3 351.410 3.048 20 0 FGADHM CC(C)(COCc1ccccc1)C(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000282165612 498408218 /nfs/dbraw/zinc/40/82/18/498408218.db2.gz NILJWGZGNAESLH-UHFFFAOYSA-N -1 3 351.410 3.048 20 0 FGADHM CCc1cc2c(CN3CCC[C@H](c4ccncn4)C3)cc(=O)oc2cc1[O-] ZINC000361653224 498415102 /nfs/dbraw/zinc/41/51/02/498415102.db2.gz QQLIYXPZXMFREQ-HNNXBMFYSA-N -1 3 365.433 3.231 20 0 FGADHM O=C(COc1ccc(Cl)c(Cl)c1)[N-]c1ncnn1-c1ccccc1 ZINC000569848225 506030886 /nfs/dbraw/zinc/03/08/86/506030886.db2.gz PMCFCMRBFHRJRC-UHFFFAOYSA-N -1 3 363.204 3.014 20 0 FGADHM CCOc1cc(CNCc2ccc(OC)nc2OC)cc(Cl)c1[O-] ZINC000297373471 498425284 /nfs/dbraw/zinc/42/52/84/498425284.db2.gz HWNVWYCLPFMAJE-UHFFFAOYSA-N -1 3 352.818 3.146 20 0 FGADHM COc1ccc(C2CCN(C(=O)c3cc(=O)[n-]c(C4CC4)n3)CC2)cc1 ZINC000569864751 506034096 /nfs/dbraw/zinc/03/40/96/506034096.db2.gz QOCVFIVSTURNOA-UHFFFAOYSA-N -1 3 353.422 3.088 20 0 FGADHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CCC(c2cccc(F)c2F)CC1 ZINC000575933507 506035850 /nfs/dbraw/zinc/03/58/50/506035850.db2.gz OLFDDDFERYITBM-UHFFFAOYSA-N -1 3 359.376 3.358 20 0 FGADHM O=C(Nc1cc(Cl)c([O-])cc1F)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000569876815 506036350 /nfs/dbraw/zinc/03/63/50/506036350.db2.gz BFYILYZPSPPBPU-CYBMUJFWSA-N -1 3 363.820 3.430 20 0 FGADHM O=C([O-])[C@@H]1CN(CCOCC(F)(F)C(F)(F)F)C[C@@H]1c1ccccc1 ZINC000572729067 506038468 /nfs/dbraw/zinc/03/84/68/506038468.db2.gz NHTPAIPOLVTEIQ-CHWSQXEVSA-N -1 3 367.314 3.001 20 0 FGADHM Cc1cc([N-]C(=O)[C@H](C)N2CCC[C@H](c3nc4ccc(F)cc4o3)C2)on1 ZINC000362138345 498469399 /nfs/dbraw/zinc/46/93/99/498469399.db2.gz RGLRDMHQDRMJDH-STQMWFEESA-N -1 3 372.400 3.470 20 0 FGADHM CC(C)c1nc2n(n1)CCC[C@H]2[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000331882284 498487460 /nfs/dbraw/zinc/48/74/60/498487460.db2.gz VDVMIRTVQIXXSE-GFCCVEGCSA-N -1 3 372.853 3.007 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC([C@@H]4CCCO4)CC3)nc2)n1 ZINC000302603933 498516413 /nfs/dbraw/zinc/51/64/13/498516413.db2.gz ZDMDNIIPULXIQX-KRWDZBQOSA-N -1 3 354.454 3.202 20 0 FGADHM CCc1noc(C)c1CNC(=O)NCc1ccc([O-])c(Br)c1 ZINC000297626022 498516411 /nfs/dbraw/zinc/51/64/11/498516411.db2.gz CEJPCXZZVFOYST-UHFFFAOYSA-N -1 3 368.231 3.013 20 0 FGADHM C[C@@H]1CN(C(=O)C(C)(C)C)C[C@H](C)N1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000293884405 498521857 /nfs/dbraw/zinc/52/18/57/498521857.db2.gz FWBAORHUFMBFJB-OKILXGFUSA-N -1 3 369.465 3.048 20 0 FGADHM Cc1ncc(S(=O)(=O)[N-][C@@H]2CC(C)(C)Oc3cc(F)ccc32)s1 ZINC000331982047 498522326 /nfs/dbraw/zinc/52/23/26/498522326.db2.gz SSWKIUAJYQTUNL-GFCCVEGCSA-N -1 3 356.444 3.171 20 0 FGADHM Cc1cc(C)c2ncc(C(=O)[O-])c(N3C[C@]4(CCOC4)OC(C)(C)C3)c2c1 ZINC000575992217 506050746 /nfs/dbraw/zinc/05/07/46/506050746.db2.gz VDQHMPMLSRNTMT-NRFANRHFSA-N -1 3 370.449 3.324 20 0 FGADHM C[C@H]1CCN(C(=O)c2nn(C)cc2Br)c2c([O-])cccc21 ZINC000332046086 498543351 /nfs/dbraw/zinc/54/33/51/498543351.db2.gz YCUUIZBRGGGUOQ-VIFPVBQESA-N -1 3 350.216 3.042 20 0 FGADHM C[C@@H](c1nccn1-c1ccccc1)[S@](=O)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000569945667 506054057 /nfs/dbraw/zinc/05/40/57/506054057.db2.gz GGYFTCUSJLPXML-WHDAMIPWSA-N -1 3 368.462 3.255 20 0 FGADHM COc1ccc(C(=O)N=c2cc(-c3ccccc3C)[n-][nH]2)c(C)c1OC ZINC000569951411 506054944 /nfs/dbraw/zinc/05/49/44/506054944.db2.gz CRNBRUXWKMPESN-UHFFFAOYSA-N -1 3 351.406 3.385 20 0 FGADHM COCC1(CCNC(=O)NCc2ccc([O-])c(Br)c2)CCC1 ZINC000297812981 498575525 /nfs/dbraw/zinc/57/55/25/498575525.db2.gz PYMKEGNCTVHLOP-UHFFFAOYSA-N -1 3 371.275 3.161 20 0 FGADHM CC(=O)N(c1ccc(NC(=O)c2cc(F)cc3[n-]nnc32)cc1)[C@H]1C[C@H]1C ZINC000294111722 498592540 /nfs/dbraw/zinc/59/25/40/498592540.db2.gz JSZHSGHQKJMEHI-QGHHPUGFSA-N -1 3 367.384 3.111 20 0 FGADHM CC(=O)N(c1ccc(NC(=O)c2cc(F)cc3nn[n-]c32)cc1)[C@H]1C[C@H]1C ZINC000294111722 498592545 /nfs/dbraw/zinc/59/25/45/498592545.db2.gz JSZHSGHQKJMEHI-QGHHPUGFSA-N -1 3 367.384 3.111 20 0 FGADHM CC(=O)N(c1ccc(NC(=O)c2cc(F)cc3n[n-]nc32)cc1)[C@H]1C[C@H]1C ZINC000294111722 498592551 /nfs/dbraw/zinc/59/25/51/498592551.db2.gz JSZHSGHQKJMEHI-QGHHPUGFSA-N -1 3 367.384 3.111 20 0 FGADHM CCOc1cc(CN(CC)[C@H](C)CS(=O)(=O)CC)cc(Cl)c1[O-] ZINC000297923679 498610517 /nfs/dbraw/zinc/61/05/17/498610517.db2.gz UBOOEFKVKUYRFX-GFCCVEGCSA-N -1 3 363.907 3.089 20 0 FGADHM Cc1ccc(CN(C)C(=O)NCc2ccc([O-])c(Br)c2)o1 ZINC000282686039 498612290 /nfs/dbraw/zinc/61/22/90/498612290.db2.gz AIWRXFHEIFOKBQ-UHFFFAOYSA-N -1 3 353.216 3.398 20 0 FGADHM Cc1cccc(C(=O)N2CCN(Cc3ccc(F)cc3Cl)CC2)c1[O-] ZINC000302950379 498633484 /nfs/dbraw/zinc/63/34/84/498633484.db2.gz NTPONSWBYIRXSO-UHFFFAOYSA-N -1 3 362.832 3.451 20 0 FGADHM COc1ccc([C@H]2CCCN2C(=O)c2cccc(OC)c2[O-])cc1OC ZINC000298071411 498655245 /nfs/dbraw/zinc/65/52/45/498655245.db2.gz GFDTZALSWYQDHZ-OAHLLOKOSA-N -1 3 357.406 3.395 20 0 FGADHM C[C@H]1CCCN(C(=O)C(=O)[N-]c2nc3cc(Cl)c(Cl)cc3n2C)C1 ZINC000332343132 498657064 /nfs/dbraw/zinc/65/70/64/498657064.db2.gz NITHYCCIBLELMM-VIFPVBQESA-N -1 3 369.252 3.077 20 0 FGADHM O=C(N[C@H]1CCO[C@H](c2ccncc2)C1)c1ccc2c(c1[O-])CCCC2 ZINC000570021185 506070683 /nfs/dbraw/zinc/07/06/83/506070683.db2.gz UIAYHQHGGJEDKD-LPHOPBHVSA-N -1 3 352.434 3.316 20 0 FGADHM Cc1cc(O[C@H]2CCN(C)C2=O)ccc1NC(=O)c1cc([O-])ccc1Cl ZINC000290779838 498677093 /nfs/dbraw/zinc/67/70/93/498677093.db2.gz CDUQDIJOXKYHPY-KRWDZBQOSA-N -1 3 374.824 3.216 20 0 FGADHM COc1cc(C(=O)N2C[C@H]3CCCCN3c3ccccc32)cc(OC)c1[O-] ZINC000294384257 498677611 /nfs/dbraw/zinc/67/76/11/498677611.db2.gz SEXDDCPYXNGJGR-OAHLLOKOSA-N -1 3 368.433 3.429 20 0 FGADHM C[C@H]1CN(c2ccc(C(=O)Nc3ccc(Cl)cc3[O-])cn2)C[C@H](C)O1 ZINC000332510252 498706855 /nfs/dbraw/zinc/70/68/55/498706855.db2.gz JNTZGTOOUYGCNP-RYUDHWBXSA-N -1 3 361.829 3.307 20 0 FGADHM O=C([O-])[C@@H](c1cccc(Br)c1)N1CC[C@@H](COC(F)F)C1 ZINC000579025423 506077138 /nfs/dbraw/zinc/07/71/38/506077138.db2.gz CJKDFKLXRBYYLK-BXKDBHETSA-N -1 3 364.186 3.136 20 0 FGADHM CC(C)[C@H](C)NC(=O)C1CCN(C(=O)c2cc3c(cc2[O-])CCCC3)CC1 ZINC000332519172 498710117 /nfs/dbraw/zinc/71/01/17/498710117.db2.gz LHHWMZVZSNPYBR-HNNXBMFYSA-N -1 3 372.509 3.284 20 0 FGADHM Cc1ccc(Cl)cc1C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000332532333 498715522 /nfs/dbraw/zinc/71/55/22/498715522.db2.gz GPIMPSRJVVUKHE-UHFFFAOYSA-N -1 3 372.852 3.389 20 0 FGADHM O=C([N-]c1nnc(C2CCOCC2)s1)c1ccncc1C(F)(F)F ZINC000294531926 498720564 /nfs/dbraw/zinc/72/05/64/498720564.db2.gz ZHUDONVZGIEHIJ-UHFFFAOYSA-N -1 3 358.345 3.098 20 0 FGADHM CCOC(=O)N[C@H]1CCCN(C(=O)CCc2ccc3ccccc3c2[O-])C1 ZINC000294554805 498728919 /nfs/dbraw/zinc/72/89/19/498728919.db2.gz RFRHAOQIUVSCEQ-KRWDZBQOSA-N -1 3 370.449 3.215 20 0 FGADHM CCC[C@@H](C)CS(=O)(=O)[N-][C@@H](C)c1nc(-c2ccccc2OC)no1 ZINC000363264753 498735762 /nfs/dbraw/zinc/73/57/62/498735762.db2.gz RDASQNVUDQOGTR-OLZOCXBDSA-N -1 3 367.471 3.162 20 0 FGADHM CCc1cc(C(=O)N[C@@H]2CCN(Cc3cnc(C)s3)C[C@H]2C)ccc1[O-] ZINC000366019792 498737383 /nfs/dbraw/zinc/73/73/83/498737383.db2.gz UTGBEZFPLXFMNW-FZKQIMNGSA-N -1 3 373.522 3.360 20 0 FGADHM Cc1c(-c2ccncc2)[n-][nH]c1=NC(=O)c1nc(C(C)C)ncc1Cl ZINC000363272751 498739434 /nfs/dbraw/zinc/73/94/34/498739434.db2.gz IXPRHIWXPCFRRU-UHFFFAOYSA-N -1 3 356.817 3.021 20 0 FGADHM CC(C)SCC[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000310779438 498747634 /nfs/dbraw/zinc/74/76/34/498747634.db2.gz OLLSIWJWIDHUHW-UHFFFAOYSA-N -1 3 356.282 3.008 20 0 FGADHM O=C(N[C@H]1CCCOc2cc(F)ccc21)c1c[n-]nc1-c1ccccn1 ZINC000572926946 506085040 /nfs/dbraw/zinc/08/50/40/506085040.db2.gz WAJYDBPYBONPOC-HNNXBMFYSA-N -1 3 352.369 3.255 20 0 FGADHM Cn1cnc([N-]C(=O)c2cc(C3CC3)nc3onc(CC(C)(C)C)c32)n1 ZINC000294631783 498755154 /nfs/dbraw/zinc/75/51/54/498755154.db2.gz PJKALXOXGDCUKU-UHFFFAOYSA-N -1 3 354.414 3.070 20 0 FGADHM CC[C@@H](O)[C@H](CC)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000313101927 498765729 /nfs/dbraw/zinc/76/57/29/498765729.db2.gz VBHZEQMFCUDUMP-WDEREUQCSA-N -1 3 359.797 3.187 20 0 FGADHM CCOC(=O)c1sc([N-]C(=O)c2snnc2C2CC2)nc1C(C)C ZINC000291057159 498775960 /nfs/dbraw/zinc/77/59/60/498775960.db2.gz MUIHYYVLHCXQSS-UHFFFAOYSA-N -1 3 366.468 3.424 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000287498764 498778200 /nfs/dbraw/zinc/77/82/00/498778200.db2.gz QMOHSYHRDOLZMO-ZIFCJYIRSA-N -1 3 370.424 3.245 20 0 FGADHM CCOc1cc(CNc2ccc(OCC(=O)NC)cc2)cc(Cl)c1[O-] ZINC000298521891 498800063 /nfs/dbraw/zinc/80/00/63/498800063.db2.gz RLBAZCJRZZSWOL-UHFFFAOYSA-N -1 3 364.829 3.181 20 0 FGADHM CCCNC(=O)[C@@H]1CCCN(C(=O)CCc2ccc3ccccc3c2[O-])C1 ZINC000294779670 498803171 /nfs/dbraw/zinc/80/31/71/498803171.db2.gz RTOJBGSDEYKMLQ-GOSISDBHSA-N -1 3 368.477 3.243 20 0 FGADHM [O-]C(=NOC[C@H]1CCOC1)Nc1cccc(Cl)c1OCC(F)F ZINC000287580370 498803213 /nfs/dbraw/zinc/80/32/13/498803213.db2.gz MBANOYXYATVLPY-VIFPVBQESA-N -1 3 350.749 3.074 20 0 FGADHM O=C([N-]OC[C@H]1CCOC1)Nc1cccc(Cl)c1OCC(F)F ZINC000287580370 498803215 /nfs/dbraw/zinc/80/32/15/498803215.db2.gz MBANOYXYATVLPY-VIFPVBQESA-N -1 3 350.749 3.074 20 0 FGADHM O=S(=O)(/C=C/c1ccc(F)cc1)[N-]C1(c2noc(C(F)F)n2)CCC1 ZINC000366208936 498824870 /nfs/dbraw/zinc/82/48/70/498824870.db2.gz ABDQSHJRGMXCSY-RMKNXTFCSA-N -1 3 373.356 3.116 20 0 FGADHM Cc1c(-c2ccncc2)[n-][nH]c1=NC(=O)c1cnc(-c2ccccc2)nc1C ZINC000366217622 498827154 /nfs/dbraw/zinc/82/71/54/498827154.db2.gz HFEGLFGQRGPNIT-UHFFFAOYSA-N -1 3 370.416 3.220 20 0 FGADHM C[C@@H](NC(=O)CN1CCCC[C@H]1CCC(=O)[O-])c1ccccc1Cl ZINC000324437159 498828628 /nfs/dbraw/zinc/82/86/28/498828628.db2.gz RQLVFSFNYIFYCI-KGLIPLIRSA-N -1 3 352.862 3.237 20 0 FGADHM C[C@H](NC(=O)CN1CCCC[C@H]1CCC(=O)[O-])c1ccccc1Cl ZINC000324437158 498829263 /nfs/dbraw/zinc/82/92/63/498829263.db2.gz RQLVFSFNYIFYCI-KBPBESRZSA-N -1 3 352.862 3.237 20 0 FGADHM C[N-]S(=O)(=O)c1cc(NC(=O)N(C)[C@@H](C)c2cccs2)ccc1F ZINC000287690180 498838013 /nfs/dbraw/zinc/83/80/13/498838013.db2.gz YYANNBXQLSCRDU-JTQLQIEISA-N -1 3 371.459 3.020 20 0 FGADHM COCCCO[N-]C(=O)Nc1ccc(Oc2cccc(F)c2F)nc1 ZINC000287761839 498857494 /nfs/dbraw/zinc/85/74/94/498857494.db2.gz VQCXZFGUTLORLY-UHFFFAOYSA-N -1 3 353.325 3.242 20 0 FGADHM O=C(N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000333031430 498875825 /nfs/dbraw/zinc/87/58/25/498875825.db2.gz HNWKMBWFHSMHAU-FAJBIJEISA-N -1 3 370.493 3.472 20 0 FGADHM CN1CC[C@@H]2CCN(C(=O)c3cc(Oc4ccccc4)ccc3[O-])[C@H]2C1 ZINC000333071620 498889906 /nfs/dbraw/zinc/88/99/06/498889906.db2.gz OVVSBBHBLBMCNH-BEFAXECRSA-N -1 3 352.434 3.351 20 0 FGADHM O=C(c1cc([O-])ccc1C(F)(F)F)N1CCC(OC2CCOCC2)CC1 ZINC000366371057 498897038 /nfs/dbraw/zinc/89/70/38/498897038.db2.gz JNZXMZJXGLWCNG-UHFFFAOYSA-N -1 3 373.371 3.211 20 0 FGADHM COCCCO[N-]C(=O)/C(=C/c1ccc(O)c(OC)c1)c1ccccc1 ZINC000287927510 498903971 /nfs/dbraw/zinc/90/39/71/498903971.db2.gz UYSZOLJMYDYUES-GHRIWEEISA-N -1 3 357.406 3.026 20 0 FGADHM COc1ccc(CN2CC[C@H](OC)C(C)(C)C2)c(Br)c1[O-] ZINC000295119624 498915925 /nfs/dbraw/zinc/91/59/25/498915925.db2.gz XEUDLDHCHKZQGM-ZDUSSCGKSA-N -1 3 358.276 3.410 20 0 FGADHM COc1cccc2c(C(=O)Nc3ccc(C(=O)N4CCCC4)cc3)[n-]nc21 ZINC000291383409 498918895 /nfs/dbraw/zinc/91/88/95/498918895.db2.gz BRFNFWOTGHZXHT-UHFFFAOYSA-N -1 3 364.405 3.060 20 0 FGADHM COc1cccc2c(C(=O)Nc3ccc(C(=O)N4CCCC4)cc3)n[n-]c21 ZINC000291383409 498918903 /nfs/dbraw/zinc/91/89/03/498918903.db2.gz BRFNFWOTGHZXHT-UHFFFAOYSA-N -1 3 364.405 3.060 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3snnc3C3CC3)c2)n1 ZINC000291390455 498921312 /nfs/dbraw/zinc/92/13/12/498921312.db2.gz CPHJFANAMOWQQQ-UHFFFAOYSA-N -1 3 367.434 3.393 20 0 FGADHM Cc1csc([C@H]([N-]S(=O)(=O)CCOCc2ccccc2)C2CC2)n1 ZINC000295158706 498928464 /nfs/dbraw/zinc/92/84/64/498928464.db2.gz DZYKRTPVEBORDU-MRXNPFEDSA-N -1 3 366.508 3.039 20 0 FGADHM C[C@@H]1CCCc2nc(S(=O)(=O)[N-][C@H]3CCCc4sccc43)cn21 ZINC000333192102 498929483 /nfs/dbraw/zinc/92/94/83/498929483.db2.gz SJUAYIJFRNVOMN-YPMHNXCESA-N -1 3 351.497 3.198 20 0 FGADHM CCOC(=O)C(C)(C)c1csc([N-]C(=O)c2nc(Cl)cs2)n1 ZINC000288042560 498931505 /nfs/dbraw/zinc/93/15/05/498931505.db2.gz CVDZLBARMCGJCD-UHFFFAOYSA-N -1 3 359.860 3.346 20 0 FGADHM CC(=O)N(c1ccc(NC(=O)c2c[n-]nc2-c2ccncc2)cc1)C1CC1 ZINC000576256334 506114518 /nfs/dbraw/zinc/11/45/18/506114518.db2.gz SEBZNRLSMJJNFP-UHFFFAOYSA-N -1 3 361.405 3.239 20 0 FGADHM CC(=O)N(c1ccc(NC(=O)c2cn[n-]c2-c2ccncc2)cc1)C1CC1 ZINC000576256334 506114521 /nfs/dbraw/zinc/11/45/21/506114521.db2.gz SEBZNRLSMJJNFP-UHFFFAOYSA-N -1 3 361.405 3.239 20 0 FGADHM O=C(c1ccccc1[O-])N1CCC[C@H]1C(=O)N1CC(C2CCCCC2)C1 ZINC000576255793 506114695 /nfs/dbraw/zinc/11/46/95/506114695.db2.gz BIWJWIHSYACBHN-SFHVURJKSA-N -1 3 356.466 3.036 20 0 FGADHM CC(C)[C@H](NC(=O)CCc1ccc2ccccc2c1[O-])c1nncn1C ZINC000295207345 498944229 /nfs/dbraw/zinc/94/42/29/498944229.db2.gz FZOGCOUFKOGWBJ-SFHVURJKSA-N -1 3 352.438 3.120 20 0 FGADHM Cc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)CCOCC(F)(F)F ZINC000570210852 506115999 /nfs/dbraw/zinc/11/59/99/506115999.db2.gz ILKUEMBNRMWQKU-UHFFFAOYSA-N -1 3 365.295 3.334 20 0 FGADHM Cc1cc(C(=O)N2CCC(c3c[nH]c4ccc(F)cc43)CC2)[n-]c(=O)n1 ZINC000288146526 498953591 /nfs/dbraw/zinc/95/35/91/498953591.db2.gz JHCXKUDOHRDAFJ-UHFFFAOYSA-N -1 3 354.385 3.131 20 0 FGADHM O=S(=O)([N-]C1CCN(c2ccc3ccccc3n2)CC1)c1cccs1 ZINC000291475231 498955531 /nfs/dbraw/zinc/95/55/31/498955531.db2.gz PTSPIFMNIKSLCB-UHFFFAOYSA-N -1 3 373.503 3.244 20 0 FGADHM CCc1cc(C(=O)N2CCCN(C(=O)c3ccsc3)CC2)ccc1[O-] ZINC000291493686 498963532 /nfs/dbraw/zinc/96/35/32/498963532.db2.gz OELGDWCLIWKXTN-UHFFFAOYSA-N -1 3 358.463 3.004 20 0 FGADHM C[C@@]1(CNC(=O)c2c[n-]c3ccccc3c2=O)OCCc2sccc21 ZINC000291574406 498996344 /nfs/dbraw/zinc/99/63/44/498996344.db2.gz ORYPJQJCILMRHS-IBGZPJMESA-N -1 3 354.431 3.220 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)c1cccnc1C(F)(F)F)c1c(C)noc1C ZINC000576301136 506125389 /nfs/dbraw/zinc/12/53/89/506125389.db2.gz HTAQWHKWQHULEB-JTQLQIEISA-N -1 3 363.361 3.135 20 0 FGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000299260895 499008255 /nfs/dbraw/zinc/00/82/55/499008255.db2.gz QXPQQLSYYUCDSJ-SUNYJGFJSA-N -1 3 368.481 3.426 20 0 FGADHM COC(=O)[C@@H](NCc1nc(=O)c2cc(-c3ccccc3)sc2[n-]1)C1CC1 ZINC000299272497 499011020 /nfs/dbraw/zinc/01/10/20/499011020.db2.gz LAGYGVPJPGYRQQ-INIZCTEOSA-N -1 3 369.446 3.105 20 0 FGADHM COc1cccc(C(=O)N2CCC[C@H]2c2nc3ccccc3n2C)c1[O-] ZINC000299350059 499033271 /nfs/dbraw/zinc/03/32/71/499033271.db2.gz ACZGDVOPWIPMLM-INIZCTEOSA-N -1 3 351.406 3.265 20 0 FGADHM CCC(=O)N1CCN([C@@H](C)c2nc(=O)c3c4c(sc3[n-]2)C[C@H](C)CC4)C1 ZINC000333674035 499055018 /nfs/dbraw/zinc/05/50/18/499055018.db2.gz DCAUGRZWPMLJEN-NEPJUHHUSA-N -1 3 374.510 3.094 20 0 FGADHM Cc1ccsc1C[N-]S(=O)(=O)c1nc(C)c(Br)s1 ZINC000329151142 499056435 /nfs/dbraw/zinc/05/64/35/499056435.db2.gz SCSANAHTZDMXHQ-UHFFFAOYSA-N -1 3 367.315 3.062 20 0 FGADHM CCC(CC)(CC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1)C(=O)[O-] ZINC000299436038 499057775 /nfs/dbraw/zinc/05/77/75/499057775.db2.gz DLFAXOGHXJHGHZ-HNNXBMFYSA-N -1 3 366.527 3.357 20 0 FGADHM CCn1ccnc1C[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000295604065 499061370 /nfs/dbraw/zinc/06/13/70/499061370.db2.gz XNTLELCNACRCIX-UHFFFAOYSA-N -1 3 367.780 3.054 20 0 FGADHM CC1CC(C(=O)N2CCc3c(=O)[n-]cnc3C2)(c2cccc(Cl)c2)C1 ZINC000295640726 499069570 /nfs/dbraw/zinc/06/95/70/499069570.db2.gz DOLYYYCSYDWTAO-UHFFFAOYSA-N -1 3 357.841 3.088 20 0 FGADHM CSc1nnc(NC(=O)CCc2nc(-c3ccc(C(C)C)cc3)no2)[n-]1 ZINC000299479379 499070721 /nfs/dbraw/zinc/07/07/21/499070721.db2.gz CJPUWGGZHBZPAB-UHFFFAOYSA-N -1 3 372.454 3.271 20 0 FGADHM CSc1n[n-]c(NC(=O)CCc2nc(-c3ccc(C(C)C)cc3)no2)n1 ZINC000299479379 499070728 /nfs/dbraw/zinc/07/07/28/499070728.db2.gz CJPUWGGZHBZPAB-UHFFFAOYSA-N -1 3 372.454 3.271 20 0 FGADHM CSc1nc(NC(=O)CCc2nc(-c3ccc(C(C)C)cc3)no2)n[n-]1 ZINC000299479379 499070735 /nfs/dbraw/zinc/07/07/35/499070735.db2.gz CJPUWGGZHBZPAB-UHFFFAOYSA-N -1 3 372.454 3.271 20 0 FGADHM C(N=c1nc(C2CCCCC2)[n-]s1)C1(N2CCCC2)CCOCC1 ZINC000333829082 499083641 /nfs/dbraw/zinc/08/36/41/499083641.db2.gz JCEUCWQJVMWUKJ-UHFFFAOYSA-N -1 3 350.532 3.065 20 0 FGADHM O=C(c1cc(F)cc2[n-]nnc21)N1C[C@@H]2CCCCN2c2ccccc21 ZINC000329273362 499088701 /nfs/dbraw/zinc/08/87/01/499088701.db2.gz AOOPBEPUYUUREK-ZDUSSCGKSA-N -1 3 351.385 3.116 20 0 FGADHM O=C(c1cc(F)cc2nn[n-]c21)N1C[C@@H]2CCCCN2c2ccccc21 ZINC000329273362 499088704 /nfs/dbraw/zinc/08/87/04/499088704.db2.gz AOOPBEPUYUUREK-ZDUSSCGKSA-N -1 3 351.385 3.116 20 0 FGADHM O=C(c1cc(F)cc2n[n-]nc21)N1C[C@@H]2CCCCN2c2ccccc21 ZINC000329273362 499088706 /nfs/dbraw/zinc/08/87/06/499088706.db2.gz AOOPBEPUYUUREK-ZDUSSCGKSA-N -1 3 351.385 3.116 20 0 FGADHM CCc1cc(C(=O)N2CCC[C@@H](C3N=NC(=S)N3C(C)C)C2)ccc1[O-] ZINC000291885355 499092826 /nfs/dbraw/zinc/09/28/26/499092826.db2.gz IPKFZWUXWHOKKR-OAHLLOKOSA-N -1 3 374.510 3.436 20 0 FGADHM CCc1cc(C(=O)N2CCC[C@H](C3N=NC(=S)N3C(C)C)C2)ccc1[O-] ZINC000291885350 499093163 /nfs/dbraw/zinc/09/31/63/499093163.db2.gz IPKFZWUXWHOKKR-HNNXBMFYSA-N -1 3 374.510 3.436 20 0 FGADHM CN1Cc2ccccc2[C@@H](NC(=O)c2cc([O-])ccc2C(F)(F)F)C1 ZINC000366885493 499106228 /nfs/dbraw/zinc/10/62/28/499106228.db2.gz XGVYHKORDRDIES-INIZCTEOSA-N -1 3 350.340 3.328 20 0 FGADHM CCc1cc(C(=O)Nc2cc(C(=O)OC)cc(OC)c2OC)ccc1[O-] ZINC000291947312 499108673 /nfs/dbraw/zinc/10/86/73/499108673.db2.gz NVVIONZQBVHLEI-UHFFFAOYSA-N -1 3 359.378 3.011 20 0 FGADHM O=C(Nc1cccc([O-])c1F)[C@@H]1CCCN1C(=O)c1ccc(Cl)s1 ZINC000367110275 499150188 /nfs/dbraw/zinc/15/01/88/499150188.db2.gz MGNNRVXTKKESHC-JTQLQIEISA-N -1 3 368.817 3.490 20 0 FGADHM Cc1ccc([O-])c(C(=O)N2C[C@H]3CCC[C@@]3(c3nc(C(C)C)no3)C2)c1 ZINC000372685321 499160767 /nfs/dbraw/zinc/16/07/67/499160767.db2.gz SPZGPQGSVWKXOY-JLTOFOAXSA-N -1 3 355.438 3.401 20 0 FGADHM O=C(c1ccc([O-])cc1)C1CCN([C@H]2CCc3ccccc3NC2=O)CC1 ZINC000372815178 499179364 /nfs/dbraw/zinc/17/93/64/499179364.db2.gz NFOYUPRVDMMVKK-FQEVSTJZSA-N -1 3 364.445 3.240 20 0 FGADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3nc4cccnc4s3)cc2)n1 ZINC000367324096 499181749 /nfs/dbraw/zinc/18/17/49/499181749.db2.gz IUCHZKYOVJTFNT-UHFFFAOYSA-N -1 3 363.402 3.002 20 0 FGADHM Cc1nc(C)c(CCC(=O)N2CC[C@@H](Cc3cccc(Cl)c3)C2)c(=O)[n-]1 ZINC000372837025 499182181 /nfs/dbraw/zinc/18/21/81/499182181.db2.gz LGRWRHFVZIRLQA-INIZCTEOSA-N -1 3 373.884 3.476 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC[C@@H](C[C@H]4CCOC4)C3)nc2)n1 ZINC000367358191 499187954 /nfs/dbraw/zinc/18/79/54/499187954.db2.gz HSHWLSSDULMATL-JKSUJKDBSA-N -1 3 368.481 3.450 20 0 FGADHM COc1ccc2c(c1)N(C(=O)CCc1c(C)nc(C)[n-]c1=O)CCCC2 ZINC000370371081 499214021 /nfs/dbraw/zinc/21/40/21/499214021.db2.gz XQNLNKTVWSPVCF-UHFFFAOYSA-N -1 3 355.438 3.110 20 0 FGADHM CCc1nc([C@H]2CCCN(C(=O)c3cc([O-])ccc3C(F)(F)F)C2)no1 ZINC000370492396 499225672 /nfs/dbraw/zinc/22/56/72/499225672.db2.gz QHJARBPSMGXISV-JTQLQIEISA-N -1 3 369.343 3.376 20 0 FGADHM CC(C)(C(=O)NC1CCN(C(=O)c2cccc([O-])c2)CC1)c1ccccc1 ZINC000370721233 499248084 /nfs/dbraw/zinc/24/80/84/499248084.db2.gz GEBONACCXRQFEZ-UHFFFAOYSA-N -1 3 366.461 3.091 20 0 FGADHM COc1ccc2c(c1)[C@H](C)CN(C(=O)c1c[n-]c3ccccc3c1=O)CC2 ZINC000370938892 499272200 /nfs/dbraw/zinc/27/22/00/499272200.db2.gz GUTLNVCBUAEFHE-CQSZACIVSA-N -1 3 362.429 3.339 20 0 FGADHM O=C(NCc1nnc(-c2ccncc2F)s1)c1cc([O-])ccc1Cl ZINC000368213537 499274407 /nfs/dbraw/zinc/27/44/07/499274407.db2.gz BDMLFDPBVIRPAG-UHFFFAOYSA-N -1 3 364.789 3.028 20 0 FGADHM C[C@H](O[N-]C(=O)[C@H]1CCCN(C(=O)c2cccs2)C1)c1ccccc1 ZINC000368236888 499276914 /nfs/dbraw/zinc/27/69/14/499276914.db2.gz RIWKNKQSTLVGGV-HOCLYGCPSA-N -1 3 358.463 3.409 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N3CCC4(CCOCC4)[C@H]3C)c[n-]c12 ZINC000368309739 499284082 /nfs/dbraw/zinc/28/40/82/499284082.db2.gz HBHBVQXBZBWSCZ-CYBMUJFWSA-N -1 3 358.413 3.007 20 0 FGADHM COC(=O)C[C@H]1CN(C(=O)c2c[n-]nc2-c2ccccc2)c2ccccc21 ZINC000368355185 499288383 /nfs/dbraw/zinc/28/83/83/499288383.db2.gz VBLYHYLWQCIGSW-HNNXBMFYSA-N -1 3 361.401 3.384 20 0 FGADHM C[C@@H]1CCN(C(=O)NC2CCN(C(=O)c3cccc([O-])c3)CC2)C[C@@H](C)C1 ZINC000371253622 499302745 /nfs/dbraw/zinc/30/27/45/499302745.db2.gz MEGTYGMZPCFCHY-CVEARBPZSA-N -1 3 373.497 3.074 20 0 FGADHM C[C@@H]1CCC[C@H](CC(=O)NC2CCN(C(=O)c3cccc([O-])c3)CC2)C1 ZINC000371252618 499302965 /nfs/dbraw/zinc/30/29/65/499302965.db2.gz DNQCXVIMJYFDIZ-CVEARBPZSA-N -1 3 358.482 3.329 20 0 FGADHM CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)Nc1cccc([O-])c1F ZINC000371266772 499304316 /nfs/dbraw/zinc/30/43/16/499304316.db2.gz QIFTXVKEWFGIBO-OAHLLOKOSA-N -1 3 372.396 3.173 20 0 FGADHM Cc1cc(NC(=O)NC2CCN(C(=O)c3cccc([O-])c3)CC2)ccc1F ZINC000368985308 499353419 /nfs/dbraw/zinc/35/34/19/499353419.db2.gz ZZRPKPDPRSNDGE-UHFFFAOYSA-N -1 3 371.412 3.266 20 0 FGADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)Nc1cc(F)c(F)cc1F ZINC000369014950 499357525 /nfs/dbraw/zinc/35/75/25/499357525.db2.gz ZTEJQTIBXCDMRZ-UHFFFAOYSA-N -1 3 374.322 3.151 20 0 FGADHM Cc1nc(-c2cnn(C)c2)oc1C(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000369018428 499357830 /nfs/dbraw/zinc/35/78/30/499357830.db2.gz LKHVIGVNWBDUPJ-NSHDSACASA-N -1 3 352.394 3.243 20 0 FGADHM COc1cc(C)cc(C(=O)Nc2cccc(-c3ccc(=O)[nH]n3)c2)c1[O-] ZINC000369059011 499361414 /nfs/dbraw/zinc/36/14/14/499361414.db2.gz YRDXQSVJPXIQCZ-UHFFFAOYSA-N -1 3 351.362 3.124 20 0 FGADHM CC[C@H](C(=O)N=c1[nH][n-]c(-c2ccncc2)c1C)c1ccc(OC)cc1 ZINC000371813463 499368322 /nfs/dbraw/zinc/36/83/22/499368322.db2.gz ACZMZYVFANMVDE-KRWDZBQOSA-N -1 3 350.422 3.343 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2C[C@@H]3CCCCC[C@H]32)c1 ZINC000371828910 499369255 /nfs/dbraw/zinc/36/92/55/499369255.db2.gz NWADTWBGMGPOAK-SUMWQHHRSA-N -1 3 369.421 3.346 20 0 FGADHM CCC[C@@H](C)CS(=O)(=O)[N-][C@H](c1nc(-c2ccncc2)no1)C(C)C ZINC000369293313 499388542 /nfs/dbraw/zinc/38/85/42/499388542.db2.gz LMMABHDNQIONGW-HIFRSBDPSA-N -1 3 366.487 3.184 20 0 FGADHM CCN1CC[C@@H](NC(=O)c2csc(=O)[n-]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000369296956 499388893 /nfs/dbraw/zinc/38/88/93/499388893.db2.gz BRIMFGRAILHEFW-OCCSQVGLSA-N -1 3 369.849 3.207 20 0 FGADHM O=C(Cc1ccc([O-])cc1Cl)N1CCC[C@H](c2noc(C3CC3)n2)C1 ZINC000372031724 499391401 /nfs/dbraw/zinc/39/14/01/499391401.db2.gz DCSHJJYCLSPMOE-ZDUSSCGKSA-N -1 3 361.829 3.255 20 0 FGADHM O=C(Nc1cccc2c1CN(c1nccs1)C2)c1ccc2n[n-]nc2c1 ZINC000372266266 499415033 /nfs/dbraw/zinc/41/50/33/499415033.db2.gz IWDXCXAAEULRLC-UHFFFAOYSA-N -1 3 362.418 3.187 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)[C@H]2CCOC2)c(Cl)n1 ZINC000369632966 499428875 /nfs/dbraw/zinc/42/88/75/499428875.db2.gz ZKKLDWWLPXUQTN-GOEBONIOSA-N -1 3 366.870 3.100 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N[C@@H]3COc4cc(F)cc(F)c43)c[n-]c12 ZINC000372962382 499444862 /nfs/dbraw/zinc/44/48/62/499444862.db2.gz ZQOLLTYWEPUSSW-CQSZACIVSA-N -1 3 374.318 3.117 20 0 FGADHM CCC(CC)n1nc(C(=O)N=c2[nH][n-]c(C)c2-c2ccncc2)cc1C ZINC000373417586 499468589 /nfs/dbraw/zinc/46/85/89/499468589.db2.gz MVRQKOXHIGFCLV-UHFFFAOYSA-N -1 3 352.442 3.320 20 0 FGADHM COc1cccc([C@@H]([N-]S(=O)(=O)c2ccccc2F)c2ccccn2)c1 ZINC000373502010 499473621 /nfs/dbraw/zinc/47/36/21/499473621.db2.gz VDQGNAFJFAOOOB-LJQANCHMSA-N -1 3 372.421 3.297 20 0 FGADHM Cc1cn2c(n1)[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)CCC2 ZINC000378251633 499494912 /nfs/dbraw/zinc/49/49/12/499494912.db2.gz MJJUDTYQKSHNCY-LLVKDONJSA-N -1 3 374.293 3.354 20 0 FGADHM Cc1ccc(C)c(C(=O)NC[C@H](C)N(C)Cc2ccccc2)c1C(=O)[O-] ZINC000390492591 499554443 /nfs/dbraw/zinc/55/44/43/499554443.db2.gz QYADTYRTRPDSOV-INIZCTEOSA-N -1 3 354.450 3.252 20 0 FGADHM C[C@@]1(CN=c2[n-]c(C(F)(F)F)ns2)CCCN1Cc1ccccc1 ZINC000397983372 499565801 /nfs/dbraw/zinc/56/58/01/499565801.db2.gz NEUXGKVVBOGZOQ-HNNXBMFYSA-N -1 3 356.417 3.445 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]C[C@@H](c2ccccc2)N2CCCC2)c(F)c1 ZINC000404921318 499570372 /nfs/dbraw/zinc/57/03/72/499570372.db2.gz HYKWNJVJDPZLIQ-SFHVURJKSA-N -1 3 362.470 3.250 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]C(C)(C)COCc2ccccc2)c(F)c1 ZINC000404862703 499570410 /nfs/dbraw/zinc/57/04/10/499570410.db2.gz WJUINESQIPCIIJ-UHFFFAOYSA-N -1 3 351.443 3.408 20 0 FGADHM CCOC(=O)c1ccc(NC(=O)c2c(C)onc2-c2cccnc2)c([O-])c1 ZINC000376130946 499585364 /nfs/dbraw/zinc/58/53/64/499585364.db2.gz OFUHQPPBDBKYSZ-UHFFFAOYSA-N -1 3 367.361 3.180 20 0 FGADHM CCCC[C@@H](C)C(=O)NCc1cccc(-c2nnc(C(=O)OCC)[n-]2)c1 ZINC000409964711 499632732 /nfs/dbraw/zinc/63/27/32/499632732.db2.gz NUTWNMLJMWXXDQ-CYBMUJFWSA-N -1 3 358.442 3.091 20 0 FGADHM CCCC[C@@H](C)C(=O)NCc1cccc(-c2n[n-]c(C(=O)OCC)n2)c1 ZINC000409964711 499632734 /nfs/dbraw/zinc/63/27/34/499632734.db2.gz NUTWNMLJMWXXDQ-CYBMUJFWSA-N -1 3 358.442 3.091 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2OC(F)F)c(Cl)c1 ZINC000410181180 499647317 /nfs/dbraw/zinc/64/73/17/499647317.db2.gz OZKIRQCTVMVESW-VXGBXAGGSA-N -1 3 353.818 3.477 20 0 FGADHM CCN(C(=O)[C@@H]1[C@H](C(=O)[O-])C1(C)C)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000579351794 506153668 /nfs/dbraw/zinc/15/36/68/506153668.db2.gz ALEYDEWWZQVULJ-LEUOFYLZSA-N -1 3 358.482 3.027 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)c2csc(-c3ccoc3)n2)c1-c1ccncc1 ZINC000377025214 499655073 /nfs/dbraw/zinc/65/50/73/499655073.db2.gz QJTQCQUACXCWMZ-UHFFFAOYSA-N -1 3 351.391 3.171 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)c2cnc(-c3ccccc3)nc2C)c1-c1ccncc1 ZINC000377072312 499659230 /nfs/dbraw/zinc/65/92/30/499659230.db2.gz ITDUGTMFZPYCJP-UHFFFAOYSA-N -1 3 370.416 3.220 20 0 FGADHM Cc1nc(C)c(CCC(=O)N[C@]2(c3ccc(Cl)cc3)C[C@H]2C)c(=O)[n-]1 ZINC000410387768 499659404 /nfs/dbraw/zinc/65/94/04/499659404.db2.gz XLECYUGBJLOLEO-NSPYISDASA-N -1 3 359.857 3.437 20 0 FGADHM Cc1cc(CN2CCC[C@H](c3nc(C(F)(F)F)cn3C)C2)oc1C(=O)[O-] ZINC000582186586 506153928 /nfs/dbraw/zinc/15/39/28/506153928.db2.gz HCPZOIBCFXBUAS-NSHDSACASA-N -1 3 371.359 3.418 20 0 FGADHM O=C(N[C@H]1CCCN(c2ccccn2)C1)c1cc([O-])ccc1C(F)(F)F ZINC000377096141 499661764 /nfs/dbraw/zinc/66/17/64/499661764.db2.gz XVTAQIHEVRRGOO-LBPRGKRZSA-N -1 3 365.355 3.205 20 0 FGADHM NC(=O)c1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2F)cc1 ZINC000410423651 499661909 /nfs/dbraw/zinc/66/19/09/499661909.db2.gz PDHHBPPTGUINSF-UHFFFAOYSA-N -1 3 363.197 3.032 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)c1-c1ccncc1 ZINC000377124302 499664214 /nfs/dbraw/zinc/66/42/14/499664214.db2.gz DWDKGHOXWRXGEV-UONOGXRCSA-N -1 3 354.360 3.222 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(N3CC[C@H](C4CCOCC4)C3)nc2)n1 ZINC000377183515 499668756 /nfs/dbraw/zinc/66/87/56/499668756.db2.gz IXIHBHSPLFZEMP-INIZCTEOSA-N -1 3 354.454 3.060 20 0 FGADHM C[C@H](Cc1cncc2ccccc21)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000377287912 499676962 /nfs/dbraw/zinc/67/69/62/499676962.db2.gz GXAIIRJIIVQMSH-CYBMUJFWSA-N -1 3 358.405 3.232 20 0 FGADHM C[C@H](Cc1cncc2ccccc21)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000377287912 499676963 /nfs/dbraw/zinc/67/69/63/499676963.db2.gz GXAIIRJIIVQMSH-CYBMUJFWSA-N -1 3 358.405 3.232 20 0 FGADHM Cn1[n-]c(-c2ccccc2Cl)nc1=NC(=O)C1(C(F)(F)F)CCC1 ZINC000410876321 499683136 /nfs/dbraw/zinc/68/31/36/499683136.db2.gz HPYVGYAHLOXDBM-UHFFFAOYSA-N -1 3 358.751 3.229 20 0 FGADHM Cc1ccc(-c2nc(C(=O)N=c3[nH][n-]c(C)c3-c3ccncc3)cs2)o1 ZINC000377376767 499684922 /nfs/dbraw/zinc/68/49/22/499684922.db2.gz SPXWCZJBHMIHNF-UHFFFAOYSA-N -1 3 365.418 3.479 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)c2sccc2Br)c1-c1ccncc1 ZINC000377375670 499684955 /nfs/dbraw/zinc/68/49/55/499684955.db2.gz JMAOGXYLZJALLG-UHFFFAOYSA-N -1 3 363.240 3.278 20 0 FGADHM CC(C)[C@H]1CCC[C@@H](NC(=O)C(=O)[N-]c2nccn2-c2ccccc2)C1 ZINC000411219987 499712921 /nfs/dbraw/zinc/71/29/21/499712921.db2.gz CIWPNWIGZJLYDR-JKSUJKDBSA-N -1 3 354.454 3.142 20 0 FGADHM O=C([O-])c1ccc(CN2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)o1 ZINC000579364628 506156442 /nfs/dbraw/zinc/15/64/42/506156442.db2.gz QMOOCSNCMSRDGU-UHFFFAOYSA-N -1 3 352.394 3.143 20 0 FGADHM CCCCC[C@H]1CCCN1C(=O)C(=O)[N-]c1nccn1-c1ccccc1 ZINC000411310137 499724731 /nfs/dbraw/zinc/72/47/31/499724731.db2.gz NJKLYUYXSXMGON-INIZCTEOSA-N -1 3 354.454 3.382 20 0 FGADHM Cc1cccnc1NC(=O)[C@@H]1CCCN(C(=O)c2cc([O-])ccc2Cl)C1 ZINC000377762967 499730187 /nfs/dbraw/zinc/73/01/87/499730187.db2.gz OPSVJRZSUFWAIP-CYBMUJFWSA-N -1 3 373.840 3.240 20 0 FGADHM COc1cccc(C(=O)N2CCC(c3nc(C(F)(F)F)c[nH]3)CC2)c1[O-] ZINC000377878268 499744647 /nfs/dbraw/zinc/74/46/47/499744647.db2.gz GXVGOKOIKRRUGE-UHFFFAOYSA-N -1 3 369.343 3.163 20 0 FGADHM COC(=O)Cc1occ(C)c1C(=O)[N-]c1nnc(-c2ccsc2)s1 ZINC000377943416 499750055 /nfs/dbraw/zinc/75/00/55/499750055.db2.gz NPAFSULKLBSBCB-UHFFFAOYSA-N -1 3 363.420 3.136 20 0 FGADHM COc1cc(C(=O)N2CC[C@]3(C2)CCc2ccccc2O3)cc(OC)c1[O-] ZINC000378034939 499755565 /nfs/dbraw/zinc/75/55/65/499755565.db2.gz FUMBIYZWKQSMBM-NRFANRHFSA-N -1 3 369.417 3.019 20 0 FGADHM CC(=O)c1ccc(C(=O)N[C@H](c2ccc(F)cc2)[C@@H]2CCCO2)cc1[O-] ZINC000411586160 499766229 /nfs/dbraw/zinc/76/62/29/499766229.db2.gz NJOYLRNPKCFRDV-RBUKOAKNSA-N -1 3 357.381 3.384 20 0 FGADHM CC(=O)c1ccc(C(=O)NC[C@H]2CCCO[C@H]2c2ccccc2)cc1[O-] ZINC000411617449 499769536 /nfs/dbraw/zinc/76/95/36/499769536.db2.gz KPWCQSWYFLOXMC-XLIONFOSSA-N -1 3 353.418 3.493 20 0 FGADHM CCc1cccc(C(=O)N2CCn3c(C4CCCC4)nnc3[C@H]2C)c1[O-] ZINC000573273413 506159193 /nfs/dbraw/zinc/15/91/93/506159193.db2.gz GASOKJFSJHOROM-CYBMUJFWSA-N -1 3 354.454 3.421 20 0 FGADHM COC(=O)[C@H](C)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)cc1 ZINC000414392123 499786007 /nfs/dbraw/zinc/78/60/07/499786007.db2.gz CVCAOTAKMZGEDV-CYBMUJFWSA-N -1 3 359.447 3.253 20 0 FGADHM CCOc1ccc([N-]S(=O)(=O)CC2(C(=O)OC)CCCCC2)c(F)c1 ZINC000414409982 499788200 /nfs/dbraw/zinc/78/82/00/499788200.db2.gz NRYDTGNYRACSOO-UHFFFAOYSA-N -1 3 373.446 3.090 20 0 FGADHM CC[C@H](NC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1)[C@@H](O)C(C)C ZINC000414412657 499788480 /nfs/dbraw/zinc/78/84/80/499788480.db2.gz LAKUYTVWHRRNHS-YJBOKZPZSA-N -1 3 358.442 3.075 20 0 FGADHM CCOc1ccc([N-]S(=O)(=O)c2ccccc2OCCOC)c(F)c1 ZINC000414411737 499788527 /nfs/dbraw/zinc/78/85/27/499788527.db2.gz QCSPAMAPGRRNTQ-UHFFFAOYSA-N -1 3 369.414 3.050 20 0 FGADHM CCN=c1[n-]c(C(=O)N[C@@H](CCO)c2ccc(Cl)c(Cl)c2)cs1 ZINC000573279872 506160213 /nfs/dbraw/zinc/16/02/13/506160213.db2.gz OCKGLJALEYOVFP-LBPRGKRZSA-N -1 3 374.293 3.157 20 0 FGADHM C[C@H]1N(C(=O)c2c[n-]c3c(Cl)cccc3c2=O)CCC12CCOCC2 ZINC000412253113 499838431 /nfs/dbraw/zinc/83/84/31/499838431.db2.gz MPXPYAVEPOPBMP-GFCCVEGCSA-N -1 3 360.841 3.213 20 0 FGADHM CCc1c([N-]C(=O)c2cn(-c3ccccc3C)nn2)onc1C(F)(F)F ZINC000412259046 499838827 /nfs/dbraw/zinc/83/88/27/499838827.db2.gz PUBBNLYLOBRHMH-UHFFFAOYSA-N -1 3 365.315 3.397 20 0 FGADHM O=C(N=c1[nH][n-]cc1Br)C1(Cc2cccc(F)c2)CCC1 ZINC000412343637 499846756 /nfs/dbraw/zinc/84/67/56/499846756.db2.gz WEGKJCVYALSGSR-UHFFFAOYSA-N -1 3 352.207 3.085 20 0 FGADHM CCOc1nc2ccc(C(=O)Nc3cccc([C@H](C)C(=O)OC)c3)cc2[n-]1 ZINC000412552315 499862351 /nfs/dbraw/zinc/86/23/51/499862351.db2.gz UEJJFWNYEXLBCN-LBPRGKRZSA-N -1 3 367.405 3.490 20 0 FGADHM CCOc1nc2cc(C(=O)Nc3cccc([C@H](C)C(=O)OC)c3)ccc2[n-]1 ZINC000412552315 499862352 /nfs/dbraw/zinc/86/23/52/499862352.db2.gz UEJJFWNYEXLBCN-LBPRGKRZSA-N -1 3 367.405 3.490 20 0 FGADHM CC(C)C1(c2ccccc2)CN(C(=O)c2ccc([N-]S(C)(=O)=O)cc2)C1 ZINC000412798454 499885807 /nfs/dbraw/zinc/88/58/07/499885807.db2.gz WGIHDNFDURJDOR-UHFFFAOYSA-N -1 3 372.490 3.108 20 0 FGADHM CCOC(=O)c1cnc2ccccc2c1OCc1cc(=O)[n-]c(C2CC2)n1 ZINC000412999252 499903477 /nfs/dbraw/zinc/90/34/77/499903477.db2.gz FBXHQZKLCYSRHI-UHFFFAOYSA-N -1 3 365.389 3.364 20 0 FGADHM CC1(C)C[C@@H](C(=O)Nc2ccccc2[N-]S(C)(=O)=O)c2ccccc2O1 ZINC000413113951 499915392 /nfs/dbraw/zinc/91/53/92/499915392.db2.gz ZFHVESWVOKVZMB-CQSZACIVSA-N -1 3 374.462 3.342 20 0 FGADHM CC(C)(C)OC(=O)C(C)(C)CCNC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000424941614 499971443 /nfs/dbraw/zinc/97/14/43/499971443.db2.gz JBKZBSLLAINUEA-UHFFFAOYSA-N -1 3 358.438 3.016 20 0 FGADHM CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1ccc(Oc2cccnc2)nc1 ZINC000421157182 499975096 /nfs/dbraw/zinc/97/50/96/499975096.db2.gz PZUQCMGDXFKKQA-INIZCTEOSA-N -1 3 365.455 3.072 20 0 FGADHM CC(C)C[C@H](CNC(=O)Cc1ccc([O-])c(F)c1)C(=O)OC(C)(C)C ZINC000424957369 499976761 /nfs/dbraw/zinc/97/67/61/499976761.db2.gz STYPTORRZYWRKV-CQSZACIVSA-N -1 3 353.434 3.194 20 0 FGADHM CC[C@@H](CS(=O)(=O)[N-]c1ccc(Br)c(Cl)c1)OC ZINC000421160891 499977592 /nfs/dbraw/zinc/97/75/92/499977592.db2.gz WLYJPTZFZRAWMV-VIFPVBQESA-N -1 3 356.669 3.269 20 0 FGADHM COc1cc(C)cc([N-]S(=O)(=O)C[C@H](Cc2ccccc2)OC)c1C ZINC000421167624 499980470 /nfs/dbraw/zinc/98/04/70/499980470.db2.gz UYWOYICSVCSMQV-KRWDZBQOSA-N -1 3 363.479 3.311 20 0 FGADHM CCCCc1nc(C[S@](=O)Cc2cc(=O)[n-]c(C3CC3)n2)cs1 ZINC000417133046 499982836 /nfs/dbraw/zinc/98/28/36/499982836.db2.gz BCEGJVDMRMYCLF-HSZRJFAPSA-N -1 3 351.497 3.308 20 0 FGADHM CCCOc1cc(F)ccc1NC(=O)[N-]c1ncc(C(=O)OCC)n1C ZINC000417131654 499982969 /nfs/dbraw/zinc/98/29/69/499982969.db2.gz BMWSTNLOPNJCLW-UHFFFAOYSA-N -1 3 364.377 3.169 20 0 FGADHM CCCC[C@H](NC[C@@H]1CC12CCSCC2)C(=O)N=c1cc(C)o[n-]1 ZINC000421196244 499989215 /nfs/dbraw/zinc/98/92/15/499989215.db2.gz FJEMMDGKZUHRGT-GJZGRUSLSA-N -1 3 351.516 3.025 20 0 FGADHM CCCCc1nc(C[S@](=O)Cc2cc(=O)[n-]c(-c3ccccc3)n2)no1 ZINC000417251424 500018777 /nfs/dbraw/zinc/01/87/77/500018777.db2.gz ZBSQWRAMCVKRRQ-AREMUKBSSA-N -1 3 372.450 3.024 20 0 FGADHM Cn1ncc2c1ncc(C(=O)N1CC(C)(C)C[C@H]1c1ccccc1)c2[O-] ZINC000425127151 500026418 /nfs/dbraw/zinc/02/64/18/500026418.db2.gz YRDCOGMODAHNHS-INIZCTEOSA-N -1 3 350.422 3.287 20 0 FGADHM O=S(=O)([N-][C@@H]1C[C@H]2C[C@H]2C1)c1cc(Br)ccc1Cl ZINC000425230138 500051172 /nfs/dbraw/zinc/05/11/72/500051172.db2.gz CSNDWZIGBIGAPV-DIYOJNKTSA-N -1 3 350.665 3.179 20 0 FGADHM CC(C)c1nc(S(=O)(=O)[N-][C@@H](C)c2ccccc2OC(F)F)cn1C ZINC000416377455 500031359 /nfs/dbraw/zinc/03/13/59/500031359.db2.gz XJJBQKCEFGYCHQ-NSHDSACASA-N -1 3 373.425 3.184 20 0 FGADHM CC(C)c1nc(S(=O)(=O)[N-][C@H](c2ccccc2)c2cccnc2)cn1C ZINC000416394238 500035721 /nfs/dbraw/zinc/03/57/21/500035721.db2.gz WRJSIJJFVAYMKM-GOSISDBHSA-N -1 3 370.478 3.006 20 0 FGADHM O=C(CCCc1ccccc1)NCCN=c1[n-]c(C(F)(F)F)cs1 ZINC000425269103 500061076 /nfs/dbraw/zinc/06/10/76/500061076.db2.gz RUBKVHBHWGMYOA-UHFFFAOYSA-N -1 3 357.401 3.135 20 0 FGADHM CO[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)C12CCC2 ZINC000416553083 500061927 /nfs/dbraw/zinc/06/19/27/500061927.db2.gz CIHPWMZLBFWKCN-DTWKUNHWSA-N -1 3 355.403 3.003 20 0 FGADHM CO[C@H]1c2ccccc2C[C@H]1[N-]S(=O)(=O)Cc1cc(Cl)ccc1F ZINC000416576008 500065717 /nfs/dbraw/zinc/06/57/17/500065717.db2.gz FASBRDQTLVQMFA-SJORKVTESA-N -1 3 369.845 3.211 20 0 FGADHM COCC1CCC([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)CC1 ZINC000416600037 500070114 /nfs/dbraw/zinc/07/01/14/500070114.db2.gz XEIKCHBHJMWUPC-UHFFFAOYSA-N -1 3 369.380 3.328 20 0 FGADHM COCc1cc(Cl)cc(S(=O)(=O)[N-]C[C@H](C)CC(F)(F)F)c1 ZINC000416610578 500072680 /nfs/dbraw/zinc/07/26/80/500072680.db2.gz WXZJERXNNPKBLA-SECBINFHSA-N -1 3 359.797 3.353 20 0 FGADHM COC1([C@@H](C)[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2F)CCC1 ZINC000416613363 500073202 /nfs/dbraw/zinc/07/32/02/500073202.db2.gz FJZISTFVWSSZRX-SECBINFHSA-N -1 3 355.353 3.080 20 0 FGADHM C[C@H]([N-]S(=O)(=O)Cc1ccc(Cl)c(Cl)c1)c1csnn1 ZINC000416632323 500075342 /nfs/dbraw/zinc/07/53/42/500075342.db2.gz KVZVHBIXPWIIFJ-ZETCQYMHSA-N -1 3 352.268 3.026 20 0 FGADHM COC(=O)[C@@H]1CN(Cc2cc([O-])cc(F)c2)C[C@H]1c1ccc(F)cc1F ZINC000425352385 500082608 /nfs/dbraw/zinc/08/26/08/500082608.db2.gz XBNGNAOYDNZRCG-DLBZAZTESA-N -1 3 365.351 3.198 20 0 FGADHM COC(=O)[C@@H]1CCc2sc([N-]C(=O)c3c(F)ccc(F)c3F)nc2C1 ZINC000421626565 500099481 /nfs/dbraw/zinc/09/94/81/500099481.db2.gz PNFDSNYLNKMAQX-SSDOTTSWSA-N -1 3 370.352 3.091 20 0 FGADHM CC(C)(C)c1ncc(CNC[C@H](Cc2ccccc2Cl)C(=O)[O-])cn1 ZINC000417551272 500105525 /nfs/dbraw/zinc/10/55/25/500105525.db2.gz YYYSTBPKMNIJBL-HNNXBMFYSA-N -1 3 361.873 3.461 20 0 FGADHM COc1cccc(OC)c1CNC[C@H](Cc1cccc(Cl)c1)C(=O)[O-] ZINC000417551357 500105827 /nfs/dbraw/zinc/10/58/27/500105827.db2.gz ZGIOVAKKPVETIY-AWEZNQCLSA-N -1 3 363.841 3.390 20 0 FGADHM COC(=O)c1cc(CN[C@]2(C(=O)[O-])C[C@H](C(C)C)c3ccccc32)c[nH]1 ZINC000417562186 500109595 /nfs/dbraw/zinc/10/95/95/500109595.db2.gz BSLRCDAXYGOSQZ-FOIQADDNSA-N -1 3 356.422 3.014 20 0 FGADHM C[C@@H](CCCNCc1ccc(F)cc1I)C(=O)[O-] ZINC000417560511 500109772 /nfs/dbraw/zinc/10/97/72/500109772.db2.gz HLNWHMZNKBFDNG-VIFPVBQESA-N -1 3 365.186 3.021 20 0 FGADHM Cc1coc(C)c1C(=O)N=c1[n-]n(CC(F)(F)F)cc1Br ZINC000421679882 500114649 /nfs/dbraw/zinc/11/46/49/500114649.db2.gz OSBLWHACYMGDPV-UHFFFAOYSA-N -1 3 366.137 3.092 20 0 FGADHM Cc1ccc(CN(C(=O)N=c2cc(OC(F)F)n(C)[n-]2)C2CC2)cc1C ZINC000429625459 500114960 /nfs/dbraw/zinc/11/49/60/500114960.db2.gz DDXFXZOLBBSNHR-UHFFFAOYSA-N -1 3 364.396 3.257 20 0 FGADHM C[C@@H]1CCCc2ccccc2[C@@H]1NC(=O)N=c1cc(OC(F)F)n(C)[n-]1 ZINC000429629825 500115220 /nfs/dbraw/zinc/11/52/20/500115220.db2.gz TYDDXYUAVPDDFB-BDJLRTHQSA-N -1 3 364.396 3.279 20 0 FGADHM C[C@@H](OC(C)(C)C)[C@H](NCc1ccc(OCC(F)(F)F)cc1)C(=O)[O-] ZINC000417579617 500115510 /nfs/dbraw/zinc/11/55/10/500115510.db2.gz BBNJNTHDBOQJGU-RISCZKNCSA-N -1 3 363.376 3.374 20 0 FGADHM COc1ccc(CNCCc2ccc(C(=O)[O-])cc2)c(OC(F)F)c1 ZINC000417580557 500115643 /nfs/dbraw/zinc/11/56/43/500115643.db2.gz DDXKKNUWQQBMBF-UHFFFAOYSA-N -1 3 351.349 3.327 20 0 FGADHM C[C@H]1CC[C@H](C(=O)N=c2[n-]n(CC(F)(F)F)cc2Br)C1 ZINC000421684526 500116103 /nfs/dbraw/zinc/11/61/03/500116103.db2.gz YKJCPLCKAKWJQW-YUMQZZPRSA-N -1 3 354.170 3.005 20 0 FGADHM C[C@@]1(C(=O)[O-])CCC[C@@H]1NCc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000417583494 500117282 /nfs/dbraw/zinc/11/72/82/500117282.db2.gz WOPQMPFHYYFAGS-MAUKXSAKSA-N -1 3 360.435 3.272 20 0 FGADHM Cc1ccc(C(C)(C)CN(C)C(=O)N=c2cc(OC(F)F)n(C)[n-]2)cc1 ZINC000429646121 500117866 /nfs/dbraw/zinc/11/78/66/500117866.db2.gz XSOLKOJRLKHXCG-UHFFFAOYSA-N -1 3 366.412 3.193 20 0 FGADHM Cn1[n-]c(=NC(=O)N2CCC[C@H]2c2ccccc2Cl)cc1OC(F)F ZINC000429658192 500119016 /nfs/dbraw/zinc/11/90/16/500119016.db2.gz NWPNNENGVBHNRG-LBPRGKRZSA-N -1 3 370.787 3.466 20 0 FGADHM CCOC[C@H](NCc1cn(-c2ccccc2)nc1-c1ccc(C)o1)C(=O)[O-] ZINC000417599020 500120998 /nfs/dbraw/zinc/12/09/98/500120998.db2.gz CWMYADDXJBNBRE-KRWDZBQOSA-N -1 3 369.421 3.020 20 0 FGADHM CC(C)n1cc(CN[C@@H](Cc2ccccc2Br)C(=O)[O-])cn1 ZINC000417619197 500126872 /nfs/dbraw/zinc/12/68/72/500126872.db2.gz DTNVYDURBGPDLQ-HNNXBMFYSA-N -1 3 366.259 3.012 20 0 FGADHM COCCOCc1ccc(CN[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)cc1 ZINC000417621622 500127357 /nfs/dbraw/zinc/12/73/57/500127357.db2.gz HLPPYOOBFVQLPT-VQTJNVASSA-N -1 3 355.434 3.252 20 0 FGADHM CC(C)(C)n1cc(CNCCOCC(=O)[O-])c(-c2ccccc2Cl)n1 ZINC000417620698 500127674 /nfs/dbraw/zinc/12/76/74/500127674.db2.gz JKKUIWJHHFHAFV-UHFFFAOYSA-N -1 3 365.861 3.149 20 0 FGADHM Cc1nn(Cc2ccc(Cl)cc2)c(C)c1CN[C@@H]1C=C[C@H](C(=O)[O-])C1 ZINC000417624152 500128251 /nfs/dbraw/zinc/12/82/51/500128251.db2.gz QCYHKGUVQBQQBT-DOTOQJQBSA-N -1 3 359.857 3.321 20 0 FGADHM O=C([O-])c1cccc(CCNCc2c(F)cccc2OC(F)(F)F)n1 ZINC000417640738 500134663 /nfs/dbraw/zinc/13/46/63/500134663.db2.gz ZYMFOCSILHWXSM-UHFFFAOYSA-N -1 3 358.291 3.150 20 0 FGADHM COc1cc(CNC[C@@H](Oc2ccccc2)C(=O)[O-])ccc1OC(C)C ZINC000417642972 500134842 /nfs/dbraw/zinc/13/48/42/500134842.db2.gz YDFDITLARJZUOU-LJQANCHMSA-N -1 3 359.422 3.104 20 0 FGADHM C[C@@H]([C@H](NCc1cn(-c2cccc(Cl)c2Cl)nn1)C(=O)[O-])C1CC1 ZINC000417643113 500135707 /nfs/dbraw/zinc/13/57/07/500135707.db2.gz YUXJVUDGCZHTFF-PSLIRLAXSA-N -1 3 369.252 3.163 20 0 FGADHM CC[C@@H](CCNCc1ccc(F)cc1I)C(=O)[O-] ZINC000417669428 500143838 /nfs/dbraw/zinc/14/38/38/500143838.db2.gz LZLOXAQPHUJKRA-VIFPVBQESA-N -1 3 365.186 3.021 20 0 FGADHM O=S(=O)([N-]Cc1nccs1)c1cc(Cl)ccc1Br ZINC000429823868 500151098 /nfs/dbraw/zinc/15/10/98/500151098.db2.gz FPYIRWORIRTOQV-UHFFFAOYSA-N -1 3 367.677 3.038 20 0 FGADHM CC[C@H](NC(=O)N=c1cc2ccc(Br)cn2[n-]1)c1ccncc1 ZINC000429931972 500168631 /nfs/dbraw/zinc/16/86/31/500168631.db2.gz YKBZJINORZOWEB-AWEZNQCLSA-N -1 3 374.242 3.187 20 0 FGADHM O=c1cc(CN2CCC[C@H](OCC(F)(F)F)C2)nc(-c2ccccc2)[n-]1 ZINC000570495255 506180859 /nfs/dbraw/zinc/18/08/59/506180859.db2.gz KMINYJCBDVYCQZ-HNNXBMFYSA-N -1 3 367.371 3.393 20 0 FGADHM Cc1cc(C(=O)NCC(C)C)ccc1NCc1cc(=O)[n-]c(C2CC2)n1 ZINC000417009258 500183558 /nfs/dbraw/zinc/18/35/58/500183558.db2.gz 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CCCSC[C@H](NCc1cc(F)ccc1Br)C(=O)[O-] ZINC000426775375 500318764 /nfs/dbraw/zinc/31/87/64/500318764.db2.gz ZMTMSVHPSBYGNR-LBPRGKRZSA-N -1 3 350.253 3.274 20 0 FGADHM COc1ccc([C@@H](CC(=O)[O-])NCc2sc(C)nc2C)cc1OC ZINC000426780700 500319518 /nfs/dbraw/zinc/31/95/18/500319518.db2.gz AALDXATWQRKNHJ-CYBMUJFWSA-N -1 3 350.440 3.083 20 0 FGADHM O=C([O-])[C@H](NCc1ccc(OCC(F)(F)F)c(F)c1)c1ccc(O)cc1 ZINC000426799580 500321935 /nfs/dbraw/zinc/32/19/35/500321935.db2.gz ISYXKWIJOORJCU-OAHLLOKOSA-N -1 3 373.302 3.388 20 0 FGADHM C[C@H](CN=c1[n-]c(C(F)(F)F)c(Br)s1)Cn1ccnc1 ZINC000418826556 500325300 /nfs/dbraw/zinc/32/53/00/500325300.db2.gz BHZUEDYDCVZNTQ-SSDOTTSWSA-N -1 3 369.210 3.291 20 0 FGADHM COc1ccc(CN[C@@H](C(=O)[O-])c2ccsc2)cc1Br ZINC000426832209 500326675 /nfs/dbraw/zinc/32/66/75/500326675.db2.gz IFGWAVXJRJDBMH-CYBMUJFWSA-N -1 3 356.241 3.435 20 0 FGADHM COc1ccc(CN[C@H](CC(=O)[O-])c2cccc(Br)c2)cn1 ZINC000426835440 500327213 /nfs/dbraw/zinc/32/72/13/500327213.db2.gz 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500362913 /nfs/dbraw/zinc/36/29/13/500362913.db2.gz FFCCXENYHDOVOO-UHFFFAOYSA-N -1 3 361.858 3.412 20 0 FGADHM COC(=O)c1cc(C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)c[n-]1 ZINC000431330505 500364450 /nfs/dbraw/zinc/36/44/50/500364450.db2.gz BUYYEVWNWAXJGG-UHFFFAOYSA-N -1 3 359.382 3.240 20 0 FGADHM CCCCC[C@@H]1CCCN1C(=O)CCn1[n-]c(=O)c2ccccc2c1=O ZINC000427206011 500367001 /nfs/dbraw/zinc/36/70/01/500367001.db2.gz ZQEIWEANJCJAHG-OAHLLOKOSA-N -1 3 357.454 3.064 20 0 FGADHM C[C@H](SCc1cc(=O)[n-]c(-c2ccccc2)n1)C(=O)NCC(F)(F)F ZINC000419608100 500383666 /nfs/dbraw/zinc/38/36/66/500383666.db2.gz VDRRRRKBETVDMF-JTQLQIEISA-N -1 3 371.384 3.149 20 0 FGADHM COc1ccc(CNc2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)cc1C ZINC000419747762 500392997 /nfs/dbraw/zinc/39/29/97/500392997.db2.gz DXPDJZJZMUOZEX-UHFFFAOYSA-N -1 3 364.442 3.196 20 0 FGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)c1c(Cl)cc(F)cc1Cl ZINC000431624654 500400054 /nfs/dbraw/zinc/40/00/54/500400054.db2.gz WVTBDAOBHOMJHA-UHFFFAOYSA-N -1 3 366.183 3.243 20 0 FGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)c1c(Cl)cc(F)cc1Cl ZINC000431624654 500400056 /nfs/dbraw/zinc/40/00/56/500400056.db2.gz WVTBDAOBHOMJHA-UHFFFAOYSA-N -1 3 366.183 3.243 20 0 FGADHM CC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)OC)c(C)o1)c1cc(F)ccc1F ZINC000431829323 500430549 /nfs/dbraw/zinc/43/05/49/500430549.db2.gz DDIZHQXYKGHKFR-CQSZACIVSA-N -1 3 373.377 3.082 20 0 FGADHM O=C(CNC(=O)c1cccc([O-])c1)Nc1cc(Cl)cc(C(F)(F)F)c1 ZINC000427807522 500435113 /nfs/dbraw/zinc/43/51/13/500435113.db2.gz NDCQCZTXXSRIAV-UHFFFAOYSA-N -1 3 372.730 3.433 20 0 FGADHM CCOc1nc2ccc(C(=O)Nc3ccc(OCCOC)cc3)cc2[n-]1 ZINC000431899617 500440958 /nfs/dbraw/zinc/44/09/58/500440958.db2.gz QNPKOXARMKZILJ-UHFFFAOYSA-N -1 3 355.394 3.239 20 0 FGADHM CCOc1nc2cc(C(=O)Nc3ccc(OCCOC)cc3)ccc2[n-]1 ZINC000431899617 500440959 /nfs/dbraw/zinc/44/09/59/500440959.db2.gz QNPKOXARMKZILJ-UHFFFAOYSA-N -1 3 355.394 3.239 20 0 FGADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1c(Cl)cc(F)cc1Cl ZINC000431920591 500443499 /nfs/dbraw/zinc/44/34/99/500443499.db2.gz HCSVJLLAEIBNAE-UHFFFAOYSA-N -1 3 366.183 3.489 20 0 FGADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1c(Cl)cc(F)cc1Cl ZINC000431920591 500443501 /nfs/dbraw/zinc/44/35/01/500443501.db2.gz HCSVJLLAEIBNAE-UHFFFAOYSA-N -1 3 366.183 3.489 20 0 FGADHM CC(C)(C)c1ncc([N-]S(=O)(=O)CCc2ccc(Cl)cc2)cn1 ZINC000424060892 500445173 /nfs/dbraw/zinc/44/51/73/500445173.db2.gz DLKNBZYUVHDIIF-UHFFFAOYSA-N -1 3 353.875 3.412 20 0 FGADHM COc1c(Cl)cc([N-]S(=O)(=O)CCOCC2CC2)cc1Cl ZINC000424069928 500447053 /nfs/dbraw/zinc/44/70/53/500447053.db2.gz WCFMXNJOFHJDRJ-UHFFFAOYSA-N -1 3 354.255 3.170 20 0 FGADHM COC(=O)c1[n-]c(=NC[C@@H](c2ccccc2Cl)N(C)C)sc1C ZINC000427990999 500455806 /nfs/dbraw/zinc/45/58/06/500455806.db2.gz JNCKLPFQLBJALX-ZDUSSCGKSA-N -1 3 353.875 3.028 20 0 FGADHM CC(C)[C@@H](O)C1(CNC(=O)c2c[n-]nc2-c2ccc(Cl)s2)CC1 ZINC000428020066 500458877 /nfs/dbraw/zinc/45/88/77/500458877.db2.gz BLQIEQQTGANHLD-CQSZACIVSA-N -1 3 353.875 3.319 20 0 FGADHM O=C(CNC(=O)c1cccc([O-])c1)N1CC=C(c2cccc3ccccc32)C1 ZINC000428027632 500459785 /nfs/dbraw/zinc/45/97/85/500459785.db2.gz OBEBACPYCVTSEJ-UHFFFAOYSA-N -1 3 372.424 3.201 20 0 FGADHM Cc1csc(-c2cccc(S(=O)(=O)[N-][C@H](C)C(F)(F)F)c2)n1 ZINC000424210768 500469373 /nfs/dbraw/zinc/46/93/73/500469373.db2.gz FLTIRGFMKGCSGD-SECBINFHSA-N -1 3 350.387 3.348 20 0 FGADHM COC(=O)c1ccc(C(=O)[N-]c2nc3cc4c(cc3s2)OCCCO4)o1 ZINC000432197721 500483051 /nfs/dbraw/zinc/48/30/51/500483051.db2.gz DYVZOBPBDCOQGC-UHFFFAOYSA-N -1 3 374.374 3.090 20 0 FGADHM Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)c1ccc2n[n-]nc2c1 ZINC000428247682 500486255 /nfs/dbraw/zinc/48/62/55/500486255.db2.gz ACLMSEYMDRZRRQ-UHFFFAOYSA-N -1 3 358.814 3.326 20 0 FGADHM COCCC(C)(C)C[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000420671354 500486406 /nfs/dbraw/zinc/48/64/06/500486406.db2.gz AJQIDHZPYFACTG-UHFFFAOYSA-N -1 3 371.833 3.282 20 0 FGADHM CC[C@H](C)C[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000420710815 500490859 /nfs/dbraw/zinc/49/08/59/500490859.db2.gz WLPRKWLZDRKCPV-STQMWFEESA-N -1 3 361.891 3.080 20 0 FGADHM 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/nfs/dbraw/zinc/15/94/41/501159441.db2.gz BZPCRMWSLGYWJR-UHFFFAOYSA-N -1 3 355.434 3.201 20 0 FGADHM Cc1ccc(C(=O)Nc2ccc(C(=O)N(C)C3CCOCC3)cc2)c([O-])c1 ZINC000436574222 501160319 /nfs/dbraw/zinc/16/03/19/501160319.db2.gz JNLLDPDTLLRVQY-UHFFFAOYSA-N -1 3 368.433 3.204 20 0 FGADHM COc1ccc(CN(C)C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)cc1O ZINC000436584855 501163291 /nfs/dbraw/zinc/16/32/91/501163291.db2.gz QONJWOUPDMTXCP-UHFFFAOYSA-N -1 3 357.406 3.092 20 0 FGADHM COc1ccc([O-])c(-c2nc(CCn3c(C)nc4ccccc43)no2)c1 ZINC000436584267 501163330 /nfs/dbraw/zinc/16/33/30/501163330.db2.gz LNLBSYNBNBTSNQ-UHFFFAOYSA-N -1 3 350.378 3.352 20 0 FGADHM COc1cc(OC)cc(OCCCN(C)C(=O)c2ccc(C)cc2[O-])c1 ZINC000436585014 501163335 /nfs/dbraw/zinc/16/33/35/501163335.db2.gz KYGDVIHLUQPVIH-UHFFFAOYSA-N -1 3 359.422 3.259 20 0 FGADHM COCCc1nc2cc(NC(=O)c3cc(C)cc(OC)c3[O-])ccc2o1 ZINC000436587146 501164031 /nfs/dbraw/zinc/16/40/31/501164031.db2.gz VTZYDRWCJZVICH-UHFFFAOYSA-N -1 3 356.378 3.292 20 0 FGADHM CCOC(=O)c1sc([C@H](C)NC(=O)c2cc(CC)ccc2[O-])nc1C ZINC000436587341 501164119 /nfs/dbraw/zinc/16/41/19/501164119.db2.gz PJCGZLHODZJGMI-NSHDSACASA-N -1 3 362.451 3.387 20 0 FGADHM COC(=O)[C@@]1(C)CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC000436587559 501164280 /nfs/dbraw/zinc/16/42/80/501164280.db2.gz XFZONQLUOMOKLW-FQEVSTJZSA-N -1 3 355.390 3.210 20 0 FGADHM COc1cc(Cl)ccc1CN1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436592849 501165324 /nfs/dbraw/zinc/16/53/24/501165324.db2.gz AATAJWGNPUPRQS-UHFFFAOYSA-N -1 3 360.841 3.012 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)NC(C)(C)c2ccccc2C)c([O-])c1 ZINC000436598470 501166717 /nfs/dbraw/zinc/16/67/17/501166717.db2.gz UKKRRBCZIBWNSG-UHFFFAOYSA-N -1 3 354.450 3.180 20 0 FGADHM O=c1c2ccccc2cnn1Cc1nc(-c2ccc([O-])c3ccccc23)no1 ZINC000436605988 501168121 /nfs/dbraw/zinc/16/81/21/501168121.db2.gz CUFNXSXLEUJDFR-UHFFFAOYSA-N -1 3 370.368 3.354 20 0 FGADHM COc1ccc([C@H](CCO)NC(=O)c2cc3c(cc2[O-])CCCC3)cc1 ZINC000436607706 501169189 /nfs/dbraw/zinc/16/91/89/501169189.db2.gz SGOMCPYCXDPQOP-IBGZPJMESA-N -1 3 355.434 3.133 20 0 FGADHM Cc1cccc(C(=O)NC[C@@H](CO)Cc2ccccc2C(F)(F)F)c1[O-] ZINC000436611954 501170257 /nfs/dbraw/zinc/17/02/57/501170257.db2.gz ZSWJCJVCNBMIKV-ZDUSSCGKSA-N -1 3 367.367 3.300 20 0 FGADHM COC(=O)CCCCNC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436620618 501171260 /nfs/dbraw/zinc/17/12/60/501171260.db2.gz WEZKULVKOAZRRR-UHFFFAOYSA-N -1 3 355.434 3.251 20 0 FGADHM CC[C@@H]1CN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C[C@H](C)[S@@]1=O ZINC000436621327 501172055 /nfs/dbraw/zinc/17/20/55/501172055.db2.gz BFMKRCIEQVIDGA-KNPMLNIMSA-N -1 3 371.502 3.355 20 0 FGADHM O=C(N[C@@H]1CCN(c2ccccn2)C1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436636235 501175831 /nfs/dbraw/zinc/17/58/31/501175831.db2.gz QGHZYOMKBHOKAA-LJQANCHMSA-N -1 3 373.456 3.387 20 0 FGADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCCCCF ZINC000436641574 501176123 /nfs/dbraw/zinc/17/61/23/501176123.db2.gz OMJGAYFKOIYVNX-GOSISDBHSA-N -1 3 358.413 3.119 20 0 FGADHM C[C@@H]1C[C@@H](NC(=O)c2cc(Cl)cc(Br)c2[O-])CN1C1CC1 ZINC000436640973 501176425 /nfs/dbraw/zinc/17/64/25/501176425.db2.gz SFSKLDMAGTZWSW-PSASIEDQSA-N -1 3 373.678 3.163 20 0 FGADHM O=C(c1c([O-])cccc1O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000436647583 501177873 /nfs/dbraw/zinc/17/78/73/501177873.db2.gz MFVIEFAXIHZRFW-UHFFFAOYSA-N -1 3 366.339 3.079 20 0 FGADHM O=C(Nc1cccc(CN2CC[C@@H](O)C2)c1)c1cc2c(cc1[O-])CCCC2 ZINC000436648199 501178084 /nfs/dbraw/zinc/17/80/84/501178084.db2.gz MRSCIBBUWVIHBS-LJQANCHMSA-N -1 3 366.461 3.090 20 0 FGADHM O=C(NCc1ccc(-n2cnc3ccccc32)cc1)c1c([O-])cccc1O ZINC000436648224 501178118 /nfs/dbraw/zinc/17/81/18/501178118.db2.gz NDMNCMGCKUZLQR-UHFFFAOYSA-N -1 3 359.385 3.367 20 0 FGADHM COC(=O)c1ccsc1[N-]C(=O)C(=O)N1CCC[C@@H](C(C)(C)C)CC1 ZINC000441883257 501180142 /nfs/dbraw/zinc/18/01/42/501180142.db2.gz LUCYJHIICUTDJY-GFCCVEGCSA-N -1 3 366.483 3.148 20 0 FGADHM CC(=O)NCCN(Cc1ccsc1)C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436656830 501180652 /nfs/dbraw/zinc/18/06/52/501180652.db2.gz HSYZSOIGQFNKAH-UHFFFAOYSA-N -1 3 372.490 3.111 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)NCc2ccc3ccccc3c2)c([O-])c1 ZINC000436661202 501181234 /nfs/dbraw/zinc/18/12/34/501181234.db2.gz BVJLGCMJISITID-UHFFFAOYSA-N -1 3 362.429 3.290 20 0 FGADHM Cc1ccc([C@H](C)N(C)C(=O)CCNC(=O)c2ccc(C)cc2[O-])cc1 ZINC000436668831 501183557 /nfs/dbraw/zinc/18/35/57/501183557.db2.gz YKRCPOGDBWQOLW-INIZCTEOSA-N -1 3 354.450 3.349 20 0 FGADHM CC[C@@H]1CCc2nc(NC(=O)NCc3nnc(C(F)(F)F)[n-]3)sc2C1 ZINC000441923035 501185084 /nfs/dbraw/zinc/18/50/84/501185084.db2.gz NFFGBRLJMYRICC-SSDOTTSWSA-N -1 3 374.392 3.117 20 0 FGADHM CC[C@@H]1CCc2nc(NC(=O)NCc3n[n-]c(C(F)(F)F)n3)sc2C1 ZINC000441923035 501185089 /nfs/dbraw/zinc/18/50/89/501185089.db2.gz NFFGBRLJMYRICC-SSDOTTSWSA-N -1 3 374.392 3.117 20 0 FGADHM CC[C@@H]1CCc2nc(NC(=O)NCc3nc(C(F)(F)F)n[n-]3)sc2C1 ZINC000441923035 501185093 /nfs/dbraw/zinc/18/50/93/501185093.db2.gz NFFGBRLJMYRICC-SSDOTTSWSA-N -1 3 374.392 3.117 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N2CCC(C)=C(c3ccco3)C2)c([O-])c1 ZINC000436678047 501186367 /nfs/dbraw/zinc/18/63/67/501186367.db2.gz AQTYUNACZDZORA-UHFFFAOYSA-N -1 3 368.433 3.120 20 0 FGADHM CC1(C)Cc2ccc(C(=O)NCC(=O)Nc3ccc(Cl)cc3)c([O-])c2O1 ZINC000436682414 501186726 /nfs/dbraw/zinc/18/67/26/501186726.db2.gz PUDWFOPXKLMKCN-UHFFFAOYSA-N -1 3 374.824 3.128 20 0 FGADHM CC1(C)Cc2ccc(C(=O)NCCCc3nc4ccccc4[nH]3)c([O-])c2O1 ZINC000436681723 501186750 /nfs/dbraw/zinc/18/67/50/501186750.db2.gz OCNRSHLFERCEMD-UHFFFAOYSA-N -1 3 365.433 3.345 20 0 FGADHM COc1cc(-c2noc(-c3ccc(C(=O)NC4CC4)cc3)n2)ccc1[O-] ZINC000436679386 501186783 /nfs/dbraw/zinc/18/67/83/501186783.db2.gz GEIBWJZZTPFRMO-UHFFFAOYSA-N -1 3 351.362 3.010 20 0 FGADHM CC1(C)Cc2ccc(C(=O)N[C@H]3CCN(Cc4ccccc4)C3)c([O-])c2O1 ZINC000436683883 501187930 /nfs/dbraw/zinc/18/79/30/501187930.db2.gz VZDYEOINSHWQKB-KRWDZBQOSA-N -1 3 366.461 3.110 20 0 FGADHM Cc1ccc(C(=O)NCCc2nc(-c3cccc4cnccc43)no2)c([O-])c1 ZINC000436686223 501188779 /nfs/dbraw/zinc/18/87/79/501188779.db2.gz DJXRSXKHCSZXRM-UHFFFAOYSA-N -1 3 374.400 3.271 20 0 FGADHM Cc1ccc(C(=O)NCCc2nc(-c3cc(C)cc(F)c3)no2)c([O-])c1 ZINC000436690191 501190110 /nfs/dbraw/zinc/19/01/10/501190110.db2.gz OWOUJAFHHSEKOC-UHFFFAOYSA-N -1 3 355.369 3.171 20 0 FGADHM Cc1ccc(C(=O)Nc2cc(F)c(F)cc2N2CCOCC2)c([O-])c1C ZINC000436697772 501190801 /nfs/dbraw/zinc/19/08/01/501190801.db2.gz NJVPIDMDMIEPMC-UHFFFAOYSA-N -1 3 362.376 3.376 20 0 FGADHM COc1cccc(C(=O)NC[C@H](C)Cc2ccc(OC)c(OC)c2)c1[O-] ZINC000436714926 501194483 /nfs/dbraw/zinc/19/44/83/501194483.db2.gz JVEKRRTVJUPJEU-CYBMUJFWSA-N -1 3 359.422 3.027 20 0 FGADHM Cc1cccc(C(=O)Nc2ccc(Oc3cccc(C(N)=O)c3)nc2)c1[O-] ZINC000436713900 501194541 /nfs/dbraw/zinc/19/45/41/501194541.db2.gz SAAJHFUTMJXJCE-UHFFFAOYSA-N -1 3 363.373 3.239 20 0 FGADHM C[C@@H]1CC[C@H]1NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436715254 501195651 /nfs/dbraw/zinc/19/56/51/501195651.db2.gz XAHOUBYRAURHCK-NIKGAXFTSA-N -1 3 352.434 3.168 20 0 FGADHM Cc1ccsc1CN(C)C(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436718852 501196242 /nfs/dbraw/zinc/19/62/42/501196242.db2.gz XNYJDLLNGBLZKC-OAHLLOKOSA-N -1 3 358.463 3.025 20 0 FGADHM CN1CCC(Oc2ccc(CNC(=O)c3ccc([O-])c(Cl)c3)cc2)CC1 ZINC000436726276 501198096 /nfs/dbraw/zinc/19/80/96/501198096.db2.gz VBGFTAUNYZLIEU-UHFFFAOYSA-N -1 3 374.868 3.449 20 0 FGADHM CCc1ccc(C(=O)Nc2ccc(F)c(N3CCCNC3=O)c2)c([O-])c1 ZINC000436734325 501199644 /nfs/dbraw/zinc/19/96/44/501199644.db2.gz CPHHOFGAYDGVFH-UHFFFAOYSA-N -1 3 357.385 3.266 20 0 FGADHM C[C@H]1CCC[C@@H](CCNC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)C1 ZINC000436739005 501201597 /nfs/dbraw/zinc/20/15/97/501201597.db2.gz NDDLFTSSQJDSGH-IRXDYDNUSA-N -1 3 373.497 3.076 20 0 FGADHM COc1ccc(CN2CCCN(C(=O)c3ccc(C)cc3[O-])CC2)cc1 ZINC000436759537 501205588 /nfs/dbraw/zinc/20/55/88/501205588.db2.gz ZPOQHYHNMOZGKB-UHFFFAOYSA-N -1 3 354.450 3.057 20 0 FGADHM CC1(CNC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)CCCCCC1 ZINC000436767630 501207642 /nfs/dbraw/zinc/20/76/42/501207642.db2.gz GSGBZBYUUMTWTB-UHFFFAOYSA-N -1 3 373.497 3.220 20 0 FGADHM COC(=O)c1cccc(S(=O)(=O)[N-]c2cc(Cl)cc(F)c2F)c1 ZINC000442210940 501208412 /nfs/dbraw/zinc/20/84/12/501208412.db2.gz CNLOUAYGBLLHKK-UHFFFAOYSA-N -1 3 361.753 3.206 20 0 FGADHM CCCS(=O)(=O)[N-]c1ccc(-c2nc(-c3ccc(O)cc3)no2)cc1 ZINC000436768859 501208451 /nfs/dbraw/zinc/20/84/51/501208451.db2.gz KVPUHWPXGHSHFH-UHFFFAOYSA-N -1 3 359.407 3.261 20 0 FGADHM COc1cc(-c2noc(-c3ccc4c(c3)CCC(=O)N4C)n2)ccc1[O-] ZINC000436774763 501209385 /nfs/dbraw/zinc/20/93/85/501209385.db2.gz NODHMGVCKCIVIG-UHFFFAOYSA-N -1 3 351.362 3.027 20 0 FGADHM O=C(Nc1ccc(Cl)cc1)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436780265 501210176 /nfs/dbraw/zinc/21/01/76/501210176.db2.gz ZFKYAZHBHKINKX-UHFFFAOYSA-N -1 3 373.840 3.472 20 0 FGADHM Cc1nc(COc2cccc(-c3nc(-c4ccc([O-])cc4)no3)c2)no1 ZINC000436778937 501210184 /nfs/dbraw/zinc/21/01/84/501210184.db2.gz STGPHSDJXHUGSL-UHFFFAOYSA-N -1 3 350.334 3.380 20 0 FGADHM COc1ccc([C@@H](C)CCNC(=O)c2cc(NC(C)=O)ccc2[O-])cc1 ZINC000436786112 501211500 /nfs/dbraw/zinc/21/15/00/501211500.db2.gz HFOLMCLCTKBDOS-ZDUSSCGKSA-N -1 3 356.422 3.283 20 0 FGADHM Cc1ccc(CNC(=O)c2cccc(C)c2[O-])c(-n2cc(Cl)cn2)n1 ZINC000436812253 501215222 /nfs/dbraw/zinc/21/52/22/501215222.db2.gz BCFRICZZIIGGHX-UHFFFAOYSA-N -1 3 356.813 3.173 20 0 FGADHM CCc1ccc(C(=O)Nc2ccc(C(N)=O)c(N3CCCCC3)c2)c([O-])c1 ZINC000436813453 501215584 /nfs/dbraw/zinc/21/55/84/501215584.db2.gz DVCMJPBABQOCDQ-UHFFFAOYSA-N -1 3 367.449 3.296 20 0 FGADHM CCOC(=O)[C@H]1CCCN1C(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436816571 501216058 /nfs/dbraw/zinc/21/60/58/501216058.db2.gz FJOONEZSXNOXSP-GOSISDBHSA-N -1 3 369.417 3.139 20 0 FGADHM COc1ccc(NC(=O)c2cc3c(cc2[O-])CCCC3)cc1NC(N)=O ZINC000436819965 501216305 /nfs/dbraw/zinc/21/63/05/501216305.db2.gz FPPKRDUCNIFKPL-UHFFFAOYSA-N -1 3 355.394 3.023 20 0 FGADHM C[C@H](CCCC(F)(F)F)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436820369 501216445 /nfs/dbraw/zinc/21/64/45/501216445.db2.gz HLBAHGZWRSJLRB-OCCSQVGLSA-N -1 3 372.387 3.234 20 0 FGADHM CCc1ccc(C(=O)N[C@H](C)c2cc(OC)c(OC)c(OC)c2)c([O-])c1 ZINC000436818611 501216604 /nfs/dbraw/zinc/21/66/04/501216604.db2.gz KSFDQXQQRZOMOK-GFCCVEGCSA-N -1 3 359.422 3.471 20 0 FGADHM CC(C)O[C@@H](CN1CCN(C(=O)c2ccccc2[O-])CC1)c1ccccc1 ZINC000436824350 501217090 /nfs/dbraw/zinc/21/70/90/501217090.db2.gz ARRXMYXIKWUTIH-NRFANRHFSA-N -1 3 368.477 3.316 20 0 FGADHM CCCS(=O)(=O)Nc1ccc(NC(=O)c2ccc(CC)cc2[O-])cc1 ZINC000436827778 501217372 /nfs/dbraw/zinc/21/73/72/501217372.db2.gz ONLPLIDVKOQCJI-UHFFFAOYSA-N -1 3 362.451 3.359 20 0 FGADHM CCN(C(=O)CCNC(=O)c1ccc(C)cc1[O-])[C@H](C)Cc1ccsc1 ZINC000436839254 501219601 /nfs/dbraw/zinc/21/96/01/501219601.db2.gz NUFCKNGFWWHZNS-OAHLLOKOSA-N -1 3 374.506 3.362 20 0 FGADHM COc1ccc(Br)c(CN(C)C(=O)c2ccc(O)cc2[O-])c1 ZINC000436842644 501220140 /nfs/dbraw/zinc/22/01/40/501220140.db2.gz DOHBVXVOOYTXDY-UHFFFAOYSA-N -1 3 366.211 3.141 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)Nc2nc3ccsc3s2)c([O-])c1 ZINC000436858799 501222400 /nfs/dbraw/zinc/22/24/00/501222400.db2.gz HXULPIQNOPSMEF-UHFFFAOYSA-N -1 3 361.448 3.130 20 0 FGADHM CC(=O)c1ccc(C(=O)N2CCN(Cc3cccc(Cl)c3)CC2)cc1[O-] ZINC000436865619 501223874 /nfs/dbraw/zinc/22/38/74/501223874.db2.gz UWPUAIZWRFPEEZ-UHFFFAOYSA-N -1 3 372.852 3.206 20 0 FGADHM CN1CC[C@@H](NC(=O)Cc2ccc([O-])c(F)c2)[C@H]1c1ccc(Cl)cc1 ZINC000450283513 501225257 /nfs/dbraw/zinc/22/52/57/501225257.db2.gz AGPBIRANZSVJFN-VQIMIIECSA-N -1 3 362.832 3.289 20 0 FGADHM Cc1nc2ccccc2n1C1CCN(C(=O)c2c([O-])cccc2O)CC1 ZINC000436883983 501227023 /nfs/dbraw/zinc/22/70/23/501227023.db2.gz AAEOUTWDJURGGE-UHFFFAOYSA-N -1 3 351.406 3.233 20 0 FGADHM CCCN1CCCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])CC1=O ZINC000436893299 501228527 /nfs/dbraw/zinc/22/85/27/501228527.db2.gz MQUGTYKEMYOFIH-UHFFFAOYSA-N -1 3 368.433 3.269 20 0 FGADHM Cc1ccc(-c2nnc([C@H](C)N3CCC(c4n[n-]c(=O)o4)CC3)o2)cc1 ZINC000450915972 501229400 /nfs/dbraw/zinc/22/94/00/501229400.db2.gz RVDMICPJLHKPGD-LBPRGKRZSA-N -1 3 355.398 3.074 20 0 FGADHM COc1cc(C)cc(-c2nc(-c3cccc(C(=O)N(C)C)c3)no2)c1[O-] ZINC000436899635 501229584 /nfs/dbraw/zinc/22/95/84/501229584.db2.gz FAVUMJYQURJTGQ-UHFFFAOYSA-N -1 3 353.378 3.128 20 0 FGADHM CCc1nnc([C@H](C)NC(=O)c2cc(Oc3ccccc3)ccc2[O-])[nH]1 ZINC000436907124 501230714 /nfs/dbraw/zinc/23/07/14/501230714.db2.gz DNRUWBOUFVNZNS-LBPRGKRZSA-N -1 3 352.394 3.356 20 0 FGADHM COc1cccc(C(=O)N[C@@H]2C[C@H]2c2ccccc2Br)c1[O-] ZINC000436912464 501231337 /nfs/dbraw/zinc/23/13/37/501231337.db2.gz WPBJPPFKXDEQLP-GXTWGEPZSA-N -1 3 362.223 3.449 20 0 FGADHM Cc1ccc(Cl)c(NC(=O)NCCNC(=O)c2ccc([O-])cc2)c1C ZINC000436911726 501231532 /nfs/dbraw/zinc/23/15/32/501231532.db2.gz GDPDZBWVWQVJAU-UHFFFAOYSA-N -1 3 361.829 3.214 20 0 FGADHM O=C(Cc1ccc([O-])c(F)c1)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000450314387 501231547 /nfs/dbraw/zinc/23/15/47/501231547.db2.gz MWFMQTSVYSVCNZ-GFCCVEGCSA-N -1 3 366.795 3.261 20 0 FGADHM CCc1nnc([C@@H](C)NC(=O)c2cc(Cc3ccccc3)ccc2[O-])[nH]1 ZINC000436915086 501231690 /nfs/dbraw/zinc/23/16/90/501231690.db2.gz OQXWFVBAZHJTGW-CYBMUJFWSA-N -1 3 350.422 3.155 20 0 FGADHM CCc1ccc([O-])c(C(=O)Nc2cccc(N3C(=O)N[C@@H](CC)C3=O)c2)c1 ZINC000436915511 501231989 /nfs/dbraw/zinc/23/19/89/501231989.db2.gz QZOIOIHIGUOGNT-INIZCTEOSA-N -1 3 367.405 3.042 20 0 FGADHM CC[C@@H]1NC(=O)N(c2cccc(NC(=O)c3ccc(C)c(C)c3[O-])c2)C1=O ZINC000436915848 501232288 /nfs/dbraw/zinc/23/22/88/501232288.db2.gz SPHGXDGTGYRECB-INIZCTEOSA-N -1 3 367.405 3.096 20 0 FGADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCOCC(F)(F)C1 ZINC000436926477 501233999 /nfs/dbraw/zinc/23/39/99/501233999.db2.gz LUYBKAXUAYWXEP-UHFFFAOYSA-N -1 3 361.388 3.285 20 0 FGADHM Cc1c(Br)cccc1S(=O)(=O)[N-]C(C)(C)C(F)(F)F ZINC000451033380 501240811 /nfs/dbraw/zinc/24/08/11/501240811.db2.gz SZZSVLVVGJQEEP-UHFFFAOYSA-N -1 3 360.195 3.377 20 0 FGADHM CCOc1ccncc1S(=O)(=O)[N-][C@@H]1CCSc2c(F)cccc21 ZINC000451043479 501241466 /nfs/dbraw/zinc/24/14/66/501241466.db2.gz HAIGMMSCCRLPFX-CYBMUJFWSA-N -1 3 368.455 3.135 20 0 FGADHM O=S(=O)([N-][C@H]1CCN2CCCC[C@@H]12)c1sc2ccccc2c1Cl ZINC000451051555 501242157 /nfs/dbraw/zinc/24/21/57/501242157.db2.gz CFDXACBARCHWGK-STQMWFEESA-N -1 3 370.927 3.460 20 0 FGADHM CCOc1ccncc1S(=O)(=O)[N-][C@@H]1CCc2c1cccc2Cl ZINC000451106535 501246191 /nfs/dbraw/zinc/24/61/91/501246191.db2.gz LWOYZDHDSUPOBL-CQSZACIVSA-N -1 3 352.843 3.100 20 0 FGADHM CCOC(=O)[C@@H]([N-]S(=O)(=O)C1CCC(C(F)(F)F)CC1)[C@@H](C)CC ZINC000451287453 501257507 /nfs/dbraw/zinc/25/75/07/501257507.db2.gz UNDVKOFAHRGNKT-WTIISPKJSA-N -1 3 373.437 3.005 20 0 FGADHM CCC[C@H](NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)C(C)(C)C ZINC000455309582 501268863 /nfs/dbraw/zinc/26/88/63/501268863.db2.gz SSOCBYIYGNKCEY-KRWDZBQOSA-N -1 3 361.486 3.074 20 0 FGADHM C[C@@H]1C[C@@H](CC[N-]S(=O)(=O)c2ccc3ccccc3c2F)CCO1 ZINC000451395822 501282305 /nfs/dbraw/zinc/28/23/05/501282305.db2.gz RNQYWUJRZBVUEH-KGLIPLIRSA-N -1 3 351.443 3.462 20 0 FGADHM O=C(C[N-]S(=O)(=O)C[C@@H]1CCCCC1(F)F)c1ccccc1Cl ZINC000451396542 501282662 /nfs/dbraw/zinc/28/26/62/501282662.db2.gz AWCQQPYTFOQNRW-NSHDSACASA-N -1 3 365.829 3.268 20 0 FGADHM O=S(=O)([N-]C[C@H]1CCCCC1(F)F)c1cnn(Cc2ccccc2)c1 ZINC000451641791 501342189 /nfs/dbraw/zinc/34/21/89/501342189.db2.gz OOTBKUVGHXHFFF-OAHLLOKOSA-N -1 3 369.437 3.035 20 0 FGADHM CO[C@H](C[N-]S(=O)(=O)c1ccccc1C(F)(F)F)Cc1ccccc1 ZINC000451663938 501346869 /nfs/dbraw/zinc/34/68/69/501346869.db2.gz NNUIXVUEDCUYKM-AWEZNQCLSA-N -1 3 373.396 3.241 20 0 FGADHM CC[C@H](C)[C@H](C[N-]S(=O)(=O)c1sc(C)cc1Br)OC ZINC000451676616 501348919 /nfs/dbraw/zinc/34/89/19/501348919.db2.gz FDJOKGOVEOUYGA-KWQFWETISA-N -1 3 370.334 3.158 20 0 FGADHM Cc1ccc([O-])c(CN2C[C@H](C(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C2)n1 ZINC000453571953 501350321 /nfs/dbraw/zinc/35/03/21/501350321.db2.gz DCUSBLIHSUXSQQ-RYUDHWBXSA-N -1 3 360.376 3.048 20 0 FGADHM CC[C@@H]([N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1)[C@@H](O)C(F)F ZINC000451715938 501358545 /nfs/dbraw/zinc/35/85/45/501358545.db2.gz RAECYJKFQOACNS-BXKDBHETSA-N -1 3 369.842 3.238 20 0 FGADHM CCCc1ncc(C[N-]S(=O)(=O)c2ccccc2OC(F)(F)F)o1 ZINC000451954770 501407238 /nfs/dbraw/zinc/40/72/38/501407238.db2.gz CDHJTQKNTYMSHX-UHFFFAOYSA-N -1 3 364.345 3.004 20 0 FGADHM CCC[C@@H]1CCCC[C@@H]1C[N-]S(=O)(=O)c1ccc(CNC(C)=O)s1 ZINC000452040857 501423840 /nfs/dbraw/zinc/42/38/40/501423840.db2.gz IGVDVIHELFNLBS-HUUCEWRRSA-N -1 3 372.556 3.269 20 0 FGADHM CCc1ccc([C@H]2CCN(C(=O)NCc3nnc(C(F)(F)F)[n-]3)C2)cc1 ZINC000458657973 501500224 /nfs/dbraw/zinc/50/02/24/501500224.db2.gz NWHBSHMMHWSXHR-ZDUSSCGKSA-N -1 3 367.375 3.085 20 0 FGADHM CCc1ccc([C@H]2CCN(C(=O)NCc3n[n-]c(C(F)(F)F)n3)C2)cc1 ZINC000458657973 501500228 /nfs/dbraw/zinc/50/02/28/501500228.db2.gz NWHBSHMMHWSXHR-ZDUSSCGKSA-N -1 3 367.375 3.085 20 0 FGADHM CCc1ccc([C@H]2CCN(C(=O)NCc3nc(C(F)(F)F)n[n-]3)C2)cc1 ZINC000458657973 501500230 /nfs/dbraw/zinc/50/02/30/501500230.db2.gz NWHBSHMMHWSXHR-ZDUSSCGKSA-N -1 3 367.375 3.085 20 0 FGADHM CC(C)c1ccc(C(=O)N2C[C@H](c3ccccc3)[C@@](F)(CO)C2)c([O-])c1 ZINC000452503181 501515052 /nfs/dbraw/zinc/51/50/52/501515052.db2.gz PPKAHGPNCGNMDS-NQIIRXRSSA-N -1 3 357.425 3.456 20 0 FGADHM Cc1cc(F)ccc1[C@@H]1CCCN1C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000454347526 501520289 /nfs/dbraw/zinc/52/02/89/501520289.db2.gz LTUTZHAUYNVOHN-KRWDZBQOSA-N -1 3 367.380 3.387 20 0 FGADHM CCC[C@H](NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)C(C)(C)C ZINC000458967751 501567080 /nfs/dbraw/zinc/56/70/80/501567080.db2.gz PNZZBIPBRMWVBZ-KRWDZBQOSA-N -1 3 361.486 3.074 20 0 FGADHM CCC[C@@H](NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)C(C)(C)C ZINC000458967752 501567145 /nfs/dbraw/zinc/56/71/45/501567145.db2.gz PNZZBIPBRMWVBZ-QGZVFWFLSA-N -1 3 361.486 3.074 20 0 FGADHM CC(C)(C)O[C@@H]1C[C@@H](NC(=O)c2cc([O-])ccc2Cl)[C@@H]1n1cccn1 ZINC000456682314 501575786 /nfs/dbraw/zinc/57/57/86/501575786.db2.gz YOKJKKLUFXKHRT-OAGGEKHMSA-N -1 3 363.845 3.169 20 0 FGADHM O=C(CCc1ccc2ccccc2c1[O-])N1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000456727826 501587635 /nfs/dbraw/zinc/58/76/35/501587635.db2.gz ZXLCUQUBSMRJSW-KSSFIOAISA-N -1 3 367.367 3.250 20 0 FGADHM O=C(CNC(=O)c1cccc([O-])c1)NC[C@H]1CCCC[C@H]1c1ccccc1 ZINC000456734579 501589305 /nfs/dbraw/zinc/58/93/05/501589305.db2.gz CZUSOVIBMYRXCE-QUCCMNQESA-N -1 3 366.461 3.212 20 0 FGADHM CC[C@H]1[C@H](CO)CCN1C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000452966129 501594151 /nfs/dbraw/zinc/59/41/51/501594151.db2.gz WWIKIHJULZODNY-ICSRJNTNSA-N -1 3 353.462 3.410 20 0 FGADHM CCOc1cc(CN2CCN(C(=O)C(C)(C)C)CC2)cc(Cl)c1[O-] ZINC000459321303 501630550 /nfs/dbraw/zinc/63/05/50/501630550.db2.gz ZYXZDNQBROZPQI-UHFFFAOYSA-N -1 3 354.878 3.135 20 0 FGADHM O=c1cc(CN(Cc2cccc(F)c2)C[C@@H]2CCCO2)nc(C2CC2)[n-]1 ZINC000459327759 501631428 /nfs/dbraw/zinc/63/14/28/501631428.db2.gz PHWDMLZQZXKRFC-SFHVURJKSA-N -1 3 357.429 3.380 20 0 FGADHM O=c1cc(CN2CCO[C@H](c3cccs3)C2)nc(-c2ccccc2)[n-]1 ZINC000459363258 501639600 /nfs/dbraw/zinc/63/96/00/501639600.db2.gz KHZURSGAYYCYAO-INIZCTEOSA-N -1 3 353.447 3.484 20 0 FGADHM O=c1cc(CN2CCO[C@@H](c3cccs3)C2)nc(-c2ccccc2)[n-]1 ZINC000459363260 501639695 /nfs/dbraw/zinc/63/96/95/501639695.db2.gz KHZURSGAYYCYAO-MRXNPFEDSA-N -1 3 353.447 3.484 20 0 FGADHM CCOc1cc(CN2CCOC3(CCC3)C2)cc(Br)c1[O-] ZINC000459369361 501641027 /nfs/dbraw/zinc/64/10/27/501641027.db2.gz HXDJTOFHXSYKLV-UHFFFAOYSA-N -1 3 356.260 3.308 20 0 FGADHM COc1cc(F)cc(C[C@@H](C)NC(=O)Cc2ccc([O-])cc2Cl)c1 ZINC000457069737 501644658 /nfs/dbraw/zinc/64/46/58/501644658.db2.gz VSANAHZKRNZMEO-LLVKDONJSA-N -1 3 351.805 3.483 20 0 FGADHM O=c1cc(CN2CC[C@@]3(C2)OCc2ccccc23)nc(-c2ccccc2)[n-]1 ZINC000459408143 501648404 /nfs/dbraw/zinc/64/84/04/501648404.db2.gz MOEAICQCLSBSLO-QFIPXVFZSA-N -1 3 359.429 3.481 20 0 FGADHM O=c1cc(CN2CCC[C@H](c3nc(C(F)(F)F)c[nH]3)C2)nc(C2CC2)[n-]1 ZINC000459430421 501652600 /nfs/dbraw/zinc/65/26/00/501652600.db2.gz QONMVTLKXAZGAC-NSHDSACASA-N -1 3 367.375 3.181 20 0 FGADHM Cc1noc(C2(C)CCN(Cc3cccc([O-])c3Br)CC2)n1 ZINC000459457316 501656795 /nfs/dbraw/zinc/65/67/95/501656795.db2.gz GBLZZEXNFUAURB-UHFFFAOYSA-N -1 3 366.259 3.400 20 0 FGADHM Cc1csc([C@H]2COCCN2Cc2cccc([O-])c2Br)n1 ZINC000459490015 501662498 /nfs/dbraw/zinc/66/24/98/501662498.db2.gz KMYZEPHOEUJXET-GFCCVEGCSA-N -1 3 369.284 3.493 20 0 FGADHM C[S@](=O)C[C@@H](NCc1cccc([O-])c1Br)c1ccccc1 ZINC000459491148 501663037 /nfs/dbraw/zinc/66/30/37/501663037.db2.gz ZQDORSYRMXNRFE-SZNDQCEHSA-N -1 3 368.296 3.364 20 0 FGADHM CCOc1cc(CN2CCO[C@H](COCC3CC3)C2)cc(Cl)c1[O-] ZINC000459496336 501663962 /nfs/dbraw/zinc/66/39/62/501663962.db2.gz GUTUCTZLVWBQGP-HNNXBMFYSA-N -1 3 355.862 3.072 20 0 FGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@]1(C)CCCC[C@H]1C ZINC000457278908 501675422 /nfs/dbraw/zinc/67/54/22/501675422.db2.gz YRCVQOQXKSNREJ-SPLOXXLWSA-N -1 3 368.481 3.158 20 0 FGADHM C[C@](CO)(CNCc1cccc([O-])c1Br)c1ccccc1 ZINC000459567035 501677912 /nfs/dbraw/zinc/67/79/12/501677912.db2.gz VTSXAXHSDZBWKI-QGZVFWFLSA-N -1 3 350.256 3.195 20 0 FGADHM CC(C)(C)C(C)(C)NC(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000455070483 501682704 /nfs/dbraw/zinc/68/27/04/501682704.db2.gz UDQDCIFORUWVTF-UHFFFAOYSA-N -1 3 371.478 3.213 20 0 FGADHM C[C@H](CC(C)(C)C)NC(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000455073807 501682953 /nfs/dbraw/zinc/68/29/53/501682953.db2.gz ZUWBILPHKDWWNS-LLVKDONJSA-N -1 3 371.478 3.213 20 0 FGADHM O=C(NCCCC1CCOCC1)NCc1ccc([O-])c(Br)c1 ZINC000455140451 501695444 /nfs/dbraw/zinc/69/54/44/501695444.db2.gz LKDVYWXEHVVDAB-UHFFFAOYSA-N -1 3 371.275 3.161 20 0 FGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)N1CC[C@H](CC2CC2)C1 ZINC000455249512 501716281 /nfs/dbraw/zinc/71/62/81/501716281.db2.gz QRNFRRREOYQKBB-GFCCVEGCSA-N -1 3 363.259 3.173 20 0 FGADHM COC[C@H]([N-]S(=O)(=O)c1c(C)c(C)c(C)c(C)c1C)c1ccco1 ZINC000474178385 501731870 /nfs/dbraw/zinc/73/18/70/501731870.db2.gz ULERBLXIHXFEES-INIZCTEOSA-N -1 3 351.468 3.488 20 0 FGADHM CC[C@H](C)[C@H]([N-]S(C)(=O)=O)C(=O)Nc1ccc(OCCC(C)C)cc1 ZINC000467202393 501736237 /nfs/dbraw/zinc/73/62/37/501736237.db2.gz ROJQAFXLPBUDKH-YOEHRIQHSA-N -1 3 370.515 3.014 20 0 FGADHM O=C(Nc1nnc(-c2cc3ccccc3o2)[n-]1)c1cccc2nccnc21 ZINC000485141567 501736532 /nfs/dbraw/zinc/73/65/32/501736532.db2.gz KLWYQYBTAVWKIM-UHFFFAOYSA-N -1 3 356.345 3.413 20 0 FGADHM O=C(Nc1nc(-c2cc3ccccc3o2)n[n-]1)c1cccc2nccnc21 ZINC000485141567 501736536 /nfs/dbraw/zinc/73/65/36/501736536.db2.gz KLWYQYBTAVWKIM-UHFFFAOYSA-N -1 3 356.345 3.413 20 0 FGADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)c1cccc2nccnc21 ZINC000485141567 501736538 /nfs/dbraw/zinc/73/65/38/501736538.db2.gz KLWYQYBTAVWKIM-UHFFFAOYSA-N -1 3 356.345 3.413 20 0 FGADHM CCO[C@@H](CC[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)C1CCCC1 ZINC000474201339 501742513 /nfs/dbraw/zinc/74/25/13/501742513.db2.gz XFHNEEKXAOHKII-HNNXBMFYSA-N -1 3 365.417 3.368 20 0 FGADHM COC(=O)c1c(F)ccc([N-]C(=O)c2sc([C@H](C)OC)nc2C)c1F ZINC000485158137 501742882 /nfs/dbraw/zinc/74/28/82/501742882.db2.gz LQDDBRACNNXQRG-QMMMGPOBSA-N -1 3 370.377 3.476 20 0 FGADHM COC(=O)c1c(F)ccc([N-]C(=O)c2oc(CC3CC3)nc2C)c1F ZINC000485166823 501744636 /nfs/dbraw/zinc/74/46/36/501744636.db2.gz QCAFSYXUOCDTRW-UHFFFAOYSA-N -1 3 350.321 3.253 20 0 FGADHM O=S(=O)(CCc1ccccc1)[N-][C@H](CO)c1c(Cl)cccc1Cl ZINC000481460463 501780783 /nfs/dbraw/zinc/78/07/83/501780783.db2.gz AIPXVSXYHOQBNO-OAHLLOKOSA-N -1 3 374.289 3.189 20 0 FGADHM COc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2COc3ccc(Cl)cc32)c1 ZINC000474305281 501783828 /nfs/dbraw/zinc/78/38/28/501783828.db2.gz UUEKVUMOIGMERI-ZDUSSCGKSA-N -1 3 374.245 3.414 20 0 FGADHM CC(C)(C)CC[C@H](CO)[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000481504936 501793981 /nfs/dbraw/zinc/79/39/81/501793981.db2.gz YDTHZUZWZGLGRQ-LLVKDONJSA-N -1 3 353.406 3.171 20 0 FGADHM O=S(=O)([N-][C@H](CO)c1c(Cl)cccc1Cl)c1cccs1 ZINC000481505476 501793993 /nfs/dbraw/zinc/79/39/93/501793993.db2.gz FDUVCCHIPQQXDC-SNVBAGLBSA-N -1 3 352.264 3.067 20 0 FGADHM Cc1ccccc1S(=O)(=O)[N-]c1ccc(OCCN(C)C)c(Cl)c1 ZINC000467440754 501795690 /nfs/dbraw/zinc/79/56/90/501795690.db2.gz XAZBRJDVOCCGRT-UHFFFAOYSA-N -1 3 368.886 3.390 20 0 FGADHM CC(C)CCC1CCN(C(=O)[C@H](C)[N-]S(=O)(=O)c2cccs2)CC1 ZINC000470779058 501799598 /nfs/dbraw/zinc/79/95/98/501799598.db2.gz KQGBTYBQFGDCMY-AWEZNQCLSA-N -1 3 372.556 3.090 20 0 FGADHM O=C(NCc1ccc([O-])c(Br)c1)N1CCCc2occc2C1 ZINC000460356190 501802643 /nfs/dbraw/zinc/80/26/43/501802643.db2.gz AMIHOYGPYSBLDH-UHFFFAOYSA-N -1 3 365.227 3.406 20 0 FGADHM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1cc2c(cc1F)NC(=O)CC2 ZINC000485392368 501806776 /nfs/dbraw/zinc/80/67/76/501806776.db2.gz GGPJQQOQNYCGMY-UHFFFAOYSA-N -1 3 366.389 3.267 20 0 FGADHM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1cccc(-c2ncn(C)n2)c1 ZINC000485394889 501808563 /nfs/dbraw/zinc/80/85/63/501808563.db2.gz KIMSAJZJWSTBSD-UHFFFAOYSA-N -1 3 360.414 3.039 20 0 FGADHM CC(C)n1cnc(S(=O)(=O)[N-][C@H](C)c2cc3cccc(F)c3o2)c1 ZINC000474385037 501816406 /nfs/dbraw/zinc/81/64/06/501816406.db2.gz OYSSCWMEZDGHMI-LLVKDONJSA-N -1 3 351.403 3.389 20 0 FGADHM O=S(=O)([N-]C1CC(F)(c2cccc(Cl)c2)C1)c1cncc(F)c1 ZINC000481566925 501817797 /nfs/dbraw/zinc/81/77/97/501817797.db2.gz CAHMWJOEZIOXRL-UHFFFAOYSA-N -1 3 358.797 3.180 20 0 FGADHM CS(=O)(=O)[N-]c1cc(NC(=O)c2coc3cc(F)ccc23)ccc1F ZINC000474420455 501829441 /nfs/dbraw/zinc/82/94/41/501829441.db2.gz FOJKHBPRURVLHB-UHFFFAOYSA-N -1 3 366.345 3.335 20 0 FGADHM CCC[C@H](C)N(C)C(=O)C(=O)[N-]c1scc(C2CC2)c1C(=O)OCC ZINC000467624627 501835884 /nfs/dbraw/zinc/83/58/84/501835884.db2.gz GWFQXXLXPMFSIN-NSHDSACASA-N -1 3 366.483 3.388 20 0 FGADHM Cc1nc2ccccc2n1CC(=O)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1 ZINC000467715287 501851629 /nfs/dbraw/zinc/85/16/29/501851629.db2.gz QYRZKUYJFBSCTM-UHFFFAOYSA-N -1 3 367.359 3.074 20 0 FGADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@@]2(C)CCCS2)s1 ZINC000467773697 501867675 /nfs/dbraw/zinc/86/76/75/501867675.db2.gz VHODOZARNORUON-LLVKDONJSA-N -1 3 370.359 3.383 20 0 FGADHM CNC(=O)C[C@@H](NCc1cc([O-])ccc1Br)c1ccccc1 ZINC000481813120 501891178 /nfs/dbraw/zinc/89/11/78/501891178.db2.gz HCHVBLBWYINYFF-MRXNPFEDSA-N -1 3 363.255 3.122 20 0 FGADHM Cc1cc(NC(=O)NCc2ncccc2[O-])ccc1OCC(F)(F)F ZINC000467914819 501905703 /nfs/dbraw/zinc/90/57/03/501905703.db2.gz 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501944647 /nfs/dbraw/zinc/94/46/47/501944647.db2.gz OLFJVNFJNXUFOG-UHFFFAOYSA-N -1 3 366.331 3.188 20 0 FGADHM O=C(Nc1nc(-c2c(F)cccc2F)n[n-]1)c1cncn1-c1ccccc1 ZINC000478327840 501944651 /nfs/dbraw/zinc/94/46/51/501944651.db2.gz OLFJVNFJNXUFOG-UHFFFAOYSA-N -1 3 366.331 3.188 20 0 FGADHM O=C(Nc1n[n-]c(-c2c(F)cccc2F)n1)c1cncn1-c1ccccc1 ZINC000478327840 501944656 /nfs/dbraw/zinc/94/46/56/501944656.db2.gz OLFJVNFJNXUFOG-UHFFFAOYSA-N -1 3 366.331 3.188 20 0 FGADHM CCc1ncc(S(=O)(=O)[N-][C@H](C)c2ncc(-c3ccccc3)o2)s1 ZINC000460936089 501962805 /nfs/dbraw/zinc/96/28/05/501962805.db2.gz LAVNWMJMSRQEJM-LLVKDONJSA-N -1 3 363.464 3.400 20 0 FGADHM CCc1ncc(S(=O)(=O)[N-][C@H]2CCSc3ccc(F)cc32)s1 ZINC000460947717 501967948 /nfs/dbraw/zinc/96/79/48/501967948.db2.gz HQTSMGBSZZWVNH-NSHDSACASA-N -1 3 358.485 3.360 20 0 FGADHM CCc1ncc(S(=O)(=O)[N-]C[C@@H](OC)c2cccc(Cl)c2)s1 ZINC000460955854 501969849 /nfs/dbraw/zinc/96/98/49/501969849.db2.gz JHNBPUFYPIGSNA-GFCCVEGCSA-N -1 3 360.888 3.025 20 0 FGADHM 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CC[C@H](NC(=O)NCc1ccc([O-])c(Br)c1)C1CCOCC1 ZINC000486108525 502048819 /nfs/dbraw/zinc/04/88/19/502048819.db2.gz KTVASCAFCCTAKZ-AWEZNQCLSA-N -1 3 371.275 3.159 20 0 FGADHM CC[C@@H](NC(=O)NCc1ccc([O-])c(Br)c1)C1CCOCC1 ZINC000486108526 502048853 /nfs/dbraw/zinc/04/88/53/502048853.db2.gz KTVASCAFCCTAKZ-CQSZACIVSA-N -1 3 371.275 3.159 20 0 FGADHM Cn1[n-]c(-c2ccccc2Cl)nc1=NC(=O)[C@H]1CCCC(F)(F)C1 ZINC000461241213 502049229 /nfs/dbraw/zinc/04/92/29/502049229.db2.gz LYOSGTWIHPYLCG-JTQLQIEISA-N -1 3 354.788 3.321 20 0 FGADHM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(C[C@@H]1CCC(C)(C)O1)CC2 ZINC000582551187 506290524 /nfs/dbraw/zinc/29/05/24/506290524.db2.gz AZFOJTNOAKGIRD-HOCLYGCPSA-N -1 3 363.454 3.035 20 0 FGADHM COC(=O)c1sc([N-]C(=O)c2noc3c2CCCC3)nc1C(C)(C)C ZINC000471531570 502056851 /nfs/dbraw/zinc/05/68/51/502056851.db2.gz VHUNQQLIWDRQER-UHFFFAOYSA-N -1 3 363.439 3.346 20 0 FGADHM O=C(Cc1ccc(Br)cc1[O-])NCCC[C@H]1CCCC[C@@H]1O ZINC000482414469 502062312 /nfs/dbraw/zinc/06/23/12/502062312.db2.gz MRPUYTQYFPMERU-DOMZBBRYSA-N -1 3 370.287 3.145 20 0 FGADHM COc1cc(C(=O)N[C@H](COCC(C)C)c2ccco2)cc(OC)c1[O-] ZINC000486165407 502068098 /nfs/dbraw/zinc/06/80/98/502068098.db2.gz NKSULGOWKXETPC-CQSZACIVSA-N -1 3 363.410 3.146 20 0 FGADHM COc1ccc([O-])c(C(=O)NC[C@@H](OC(C)C)c2ccccc2OC)c1 ZINC000471573707 502070711 /nfs/dbraw/zinc/07/07/11/502070711.db2.gz JAQVPEQXPXNDSP-LJQANCHMSA-N -1 3 359.422 3.306 20 0 FGADHM Cc1ccn2c(c1)nnc2[N-]C(=O)c1c(F)ccc(Br)c1F ZINC000486180529 502074632 /nfs/dbraw/zinc/07/46/32/502074632.db2.gz WWCADUNQMVSUEV-UHFFFAOYSA-N -1 3 367.153 3.331 20 0 FGADHM CCOC(=O)C[C@](C)([N-]S(=O)(=O)c1cc(F)ccc1Cl)C(C)C ZINC000478760875 502077940 /nfs/dbraw/zinc/07/79/40/502077940.db2.gz XOLMTISPLKYZQK-HNNXBMFYSA-N -1 3 365.854 3.125 20 0 FGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CCc2cc(F)ccc21 ZINC000486239420 502095718 /nfs/dbraw/zinc/09/57/18/502095718.db2.gz AEQIUNINMJOOBN-AWEZNQCLSA-N -1 3 355.818 3.454 20 0 FGADHM O=C(CCCc1ccc([O-])c(F)c1)NCc1cnn(-c2ccccc2)c1 ZINC000468538795 502096618 /nfs/dbraw/zinc/09/66/18/502096618.db2.gz YDALHDFLQNOHRD-UHFFFAOYSA-N -1 3 353.397 3.356 20 0 FGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCc2c1cccc2O ZINC000486250169 502099420 /nfs/dbraw/zinc/09/94/20/502099420.db2.gz AKDLLDQHRVHGQA-CYBMUJFWSA-N -1 3 353.827 3.020 20 0 FGADHM CN(C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)C1CCC1 ZINC000461411287 502102907 /nfs/dbraw/zinc/10/29/07/502102907.db2.gz MYJMBFOVMYPGQH-UHFFFAOYSA-N -1 3 362.426 3.251 20 0 FGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]CCCOc1ccc(C)cc1 ZINC000486271720 502107191 /nfs/dbraw/zinc/10/71/91/502107191.db2.gz HGOLRRADDWNSQS-UHFFFAOYSA-N -1 3 369.870 3.404 20 0 FGADHM Cc1cc(C(=O)NCc2nc(-c3cc4ccccc4o3)cs2)[n-]c(=O)n1 ZINC000478896182 502114891 /nfs/dbraw/zinc/11/48/91/502114891.db2.gz GSELJGBBJGGFFY-UHFFFAOYSA-N -1 3 366.402 3.290 20 0 FGADHM COc1ccc(CN2C[C@@H](C)O[C@H](C3CC3)C2)c(Br)c1[O-] ZINC000475295404 502123799 /nfs/dbraw/zinc/12/37/99/502123799.db2.gz IEZZLEKZBPFMLR-YGRLFVJLSA-N -1 3 356.260 3.163 20 0 FGADHM O=C(NCc1cccc(COCc2ccccc2)c1)c1csc(=O)[n-]1 ZINC000471739786 502123887 /nfs/dbraw/zinc/12/38/87/502123887.db2.gz GWJHJDUADHDXRJ-UHFFFAOYSA-N -1 3 354.431 3.496 20 0 FGADHM CC[C@H](CNC(=O)c1c[n-]c2ccc(Oc3ccccc3)cc2c1=O)OC ZINC000461466545 502125069 /nfs/dbraw/zinc/12/50/69/502125069.db2.gz VVDRPQANNYHOHZ-CQSZACIVSA-N -1 3 366.417 3.475 20 0 FGADHM Cc1cccnc1NC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000471747444 502126397 /nfs/dbraw/zinc/12/63/97/502126397.db2.gz OMZYAZLFSQSQGF-UHFFFAOYSA-N -1 3 373.356 3.033 20 0 FGADHM [O-]c1cccnc1CNCc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000475339476 502139962 /nfs/dbraw/zinc/13/99/62/502139962.db2.gz YHJQIFGFPRNFFU-UHFFFAOYSA-N -1 3 359.227 3.230 20 0 FGADHM C[N-]S(=O)(=O)c1cc(NC(=O)NCC[C@@H]2CCCC[C@H]2C)ccc1F ZINC000486404670 502144750 /nfs/dbraw/zinc/14/47/50/502144750.db2.gz KJFPGSOIFUHKNK-OLZOCXBDSA-N -1 3 371.478 3.072 20 0 FGADHM CCc1cc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2=O)ccc1[O-] ZINC000486425374 502150555 /nfs/dbraw/zinc/15/05/55/502150555.db2.gz 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ZINC000503483925 503418862 /nfs/dbraw/zinc/41/88/62/503418862.db2.gz AMETTZFDZHALIE-UHFFFAOYSA-N -1 3 350.353 3.059 20 0 FGADHM CCCCc1ccc([C@H]([N-]S(=O)(=O)C2COC2)c2cccs2)cc1 ZINC000493655695 503438286 /nfs/dbraw/zinc/43/82/86/503438286.db2.gz KIAVVKIVOHOTPN-SFHVURJKSA-N -1 3 365.520 3.498 20 0 FGADHM CCc1cccc(OCC(=O)N=c2nc(-c3ccccc3Cl)[n-]n2C)c1 ZINC000582699288 506371631 /nfs/dbraw/zinc/37/16/31/506371631.db2.gz GAOYPHRNXHLUAW-UHFFFAOYSA-N -1 3 370.840 3.137 20 0 FGADHM O=C1CCCN1[C@H]1CCC[C@@H](NCc2cccc([O-])c2Br)C1 ZINC000516089248 503443969 /nfs/dbraw/zinc/44/39/69/503443969.db2.gz QAOLYYISGWUATP-KGLIPLIRSA-N -1 3 367.287 3.178 20 0 FGADHM C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)c1cc(F)cc2nn[n-]c21 ZINC000503620775 503447216 /nfs/dbraw/zinc/44/72/16/503447216.db2.gz XTPUHFUVLJYFSG-VIFPVBQESA-N -1 3 366.318 3.477 20 0 FGADHM C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)c1cc(F)cc2[n-]nnc21 ZINC000503620775 503447220 /nfs/dbraw/zinc/44/72/20/503447220.db2.gz XTPUHFUVLJYFSG-VIFPVBQESA-N -1 3 366.318 3.477 20 0 FGADHM C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000503620775 503447225 /nfs/dbraw/zinc/44/72/25/503447225.db2.gz XTPUHFUVLJYFSG-VIFPVBQESA-N -1 3 366.318 3.477 20 0 FGADHM Cc1ccccc1[C@H](C(C)C)N(C)C(=O)c1cnc2c(cnn2C)c1[O-] ZINC000512067442 503449121 /nfs/dbraw/zinc/44/91/21/503449121.db2.gz GVLNPZYKNLDKAD-KRWDZBQOSA-N -1 3 352.438 3.452 20 0 FGADHM COc1ccc(-c2nc([N-]C(=O)c3c(F)ccc(C)c3F)n[nH]2)c(OC)c1 ZINC000499648255 503449606 /nfs/dbraw/zinc/44/96/06/503449606.db2.gz TUGVVLMZZZPDEK-UHFFFAOYSA-N -1 3 374.347 3.328 20 0 FGADHM C[C@H]1OCC[C@]1(C)NCc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[n-]1 ZINC000516159978 503458608 /nfs/dbraw/zinc/45/86/08/503458608.db2.gz MCRNHWKPYMFGGU-WYRIXSBYSA-N -1 3 373.453 3.448 20 0 FGADHM CCC[C@H]([N-]S(=O)(=O)Cc1cccc(Cl)c1)C(=O)OC(C)(C)C ZINC000588898219 506372851 /nfs/dbraw/zinc/37/28/51/506372851.db2.gz DUGYIMFFAJGPOU-AWEZNQCLSA-N -1 3 361.891 3.270 20 0 FGADHM COCC[C@@H]([N-]S(=O)(=O)Cc1cc(Cl)ccc1OC)c1ccco1 ZINC000503707923 503463319 /nfs/dbraw/zinc/46/33/19/503463319.db2.gz KXMJJMWTCAWYAU-CQSZACIVSA-N -1 3 373.858 3.139 20 0 FGADHM Cn1ncc2c1ncc(C(=O)N1CCCC[C@@H]1c1ccc(F)cc1F)c2[O-] ZINC000512152158 503470795 /nfs/dbraw/zinc/47/07/95/503470795.db2.gz AHKYTHJYJMYLCZ-MRXNPFEDSA-N -1 3 372.375 3.320 20 0 FGADHM CC[C@H](Oc1ccccc1C)C(=O)Nc1nc2cccc(C(=O)OC)c2[n-]1 ZINC000494115735 503490537 /nfs/dbraw/zinc/49/05/37/503490537.db2.gz NEDNBGGXUXVYBU-HNNXBMFYSA-N -1 3 367.405 3.454 20 0 FGADHM CC[C@H](Oc1ccccc1C)C(=O)Nc1nc2c(cccc2C(=O)OC)[n-]1 ZINC000494115735 503490541 /nfs/dbraw/zinc/49/05/41/503490541.db2.gz NEDNBGGXUXVYBU-HNNXBMFYSA-N -1 3 367.405 3.454 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)[C@@H]3C[C@@]34CCc3ccccc34)[n-]c21 ZINC000494121896 503491471 /nfs/dbraw/zinc/49/14/71/503491471.db2.gz QXTKSCFWVPZCSA-YCRPNKLZSA-N -1 3 361.401 3.192 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@@H]3C[C@@]34CCc3ccccc34)nc21 ZINC000494121896 503491474 /nfs/dbraw/zinc/49/14/74/503491474.db2.gz QXTKSCFWVPZCSA-YCRPNKLZSA-N -1 3 361.401 3.192 20 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O=C(CCCc1ccc([O-])c(F)c1)N1CC[C@@H](OCc2ccncc2)C1 ZINC000509078640 503636547 /nfs/dbraw/zinc/63/65/47/503636547.db2.gz IHDIHQDRZOREIF-QGZVFWFLSA-N -1 3 358.413 3.067 20 0 FGADHM COc1ccccc1CC(=O)N=c1cc(-c2cc(Cl)ccc2OC)[n-][nH]1 ZINC000512854015 503645752 /nfs/dbraw/zinc/64/57/52/503645752.db2.gz GCPPBZAOSIRALX-UHFFFAOYSA-N -1 3 371.824 3.350 20 0 FGADHM CC(C)(C)[C@@H](NC(=O)CNC(=O)c1cccc([O-])c1)c1ccc(F)cc1 ZINC000495023120 503650291 /nfs/dbraw/zinc/65/02/91/503650291.db2.gz ZLVBNSGBOZDFFB-SFHVURJKSA-N -1 3 358.413 3.165 20 0 FGADHM CO[C@@H](c1ccc(F)cc1)[C@@H](C)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000536642088 503655829 /nfs/dbraw/zinc/65/58/29/503655829.db2.gz SPSNNCCRZDSXHF-CWTRNNRKSA-N -1 3 354.381 3.173 20 0 FGADHM O=C(CCCc1ccc([O-])c(F)c1)N=c1ccn(Cc2ccccc2)[nH]1 ZINC000527044325 503656533 /nfs/dbraw/zinc/65/65/33/503656533.db2.gz FUQFHDGNXSQURH-UHFFFAOYSA-N -1 3 353.397 3.159 20 0 FGADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCC([C@H](O)C(F)(F)F)CC1 ZINC000527050585 503659243 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O=C([N-]c1nnc(C(F)F)s1)c1cnn(-c2ccncc2)c1C(F)F ZINC000495129957 503678092 /nfs/dbraw/zinc/67/80/92/503678092.db2.gz QTWZDAVCPIHQJN-UHFFFAOYSA-N -1 3 372.307 3.246 20 0 FGADHM CCOC(=O)C[C@@H](NC(=O)c1ccc(C)cc1[O-])c1cccc(OC)c1 ZINC000536685059 503679767 /nfs/dbraw/zinc/67/97/67/503679767.db2.gz MTMIGVXGLXECDD-QGZVFWFLSA-N -1 3 357.406 3.134 20 0 FGADHM COc1cccc([C@@H]2CN(C(=O)c3cccc4[n-]nnc43)CC2(C)C)c1 ZINC000529727460 503684255 /nfs/dbraw/zinc/68/42/55/503684255.db2.gz HTPVLIYFUTXORD-INIZCTEOSA-N -1 3 350.422 3.232 20 0 FGADHM COc1cccc([C@@H]2CN(C(=O)c3cccc4nn[n-]c43)CC2(C)C)c1 ZINC000529727460 503684259 /nfs/dbraw/zinc/68/42/59/503684259.db2.gz HTPVLIYFUTXORD-INIZCTEOSA-N -1 3 350.422 3.232 20 0 FGADHM COc1cccc([C@@H]2CN(C(=O)c3cccc4n[n-]nc43)CC2(C)C)c1 ZINC000529727460 503684263 /nfs/dbraw/zinc/68/42/63/503684263.db2.gz HTPVLIYFUTXORD-INIZCTEOSA-N -1 3 350.422 3.232 20 0 FGADHM CC(C)[C@@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)c1ncc[nH]1 ZINC000517261587 503697423 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CC(C)c1cc(Cl)ccc1NC(=O)C[N-]S(=O)(=O)c1cccs1 ZINC000529851126 503734821 /nfs/dbraw/zinc/73/48/21/503734821.db2.gz DSEKOXOOPUCUHP-UHFFFAOYSA-N -1 3 372.899 3.442 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-]C[C@@]1(C)CCCc2ccccc21 ZINC000540321339 503736384 /nfs/dbraw/zinc/73/63/84/503736384.db2.gz OHYOZDIWZSMPRC-QGZVFWFLSA-N -1 3 351.493 3.329 20 0 FGADHM C[C@@H]1CCC[C@@H](N(Cc2n[nH]c(=O)[n-]2)Cc2ccc3c(c2)OCO3)[C@@H]1C ZINC000540334864 503741487 /nfs/dbraw/zinc/74/14/87/503741487.db2.gz FPKHCBJJFXIFNE-UMVBOHGHSA-N -1 3 358.442 3.066 20 0 FGADHM Cn1cncc1CCC(=O)N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1 ZINC000527262498 503743883 /nfs/dbraw/zinc/74/38/83/503743883.db2.gz CUJMOZMSKNDGMH-UHFFFAOYSA-N -1 3 364.236 3.110 20 0 FGADHM Cc1c(C(=O)Nc2nc(C)ccc2[O-])nnn1-c1ccc(F)c(Cl)c1 ZINC000543374723 503744058 /nfs/dbraw/zinc/74/40/58/503744058.db2.gz PLJDAMWYWICDEY-UHFFFAOYSA-N -1 3 361.764 3.030 20 0 FGADHM CCc1ccc([O-])c(C(=O)Nc2ccc3nc(N4CCOCC4)oc3c2)c1 ZINC000533193636 503756066 /nfs/dbraw/zinc/75/60/66/503756066.db2.gz PVXFKZVCEWEUDJ-UHFFFAOYSA-N -1 3 367.405 3.185 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)o1 ZINC000536903881 503756244 /nfs/dbraw/zinc/75/62/44/503756244.db2.gz GMYLJBAXMDGKDW-ZFWWWQNUSA-N -1 3 359.806 3.189 20 0 FGADHM CC(C)(C)c1n[n-]c(=NCc2ccc(OCCN3CCCC3)cc2)s1 ZINC000533205079 503759635 /nfs/dbraw/zinc/75/96/35/503759635.db2.gz YTDJXHUMPCIVEK-UHFFFAOYSA-N -1 3 360.527 3.344 20 0 FGADHM Cc1ncc(CN[C@H]2CCc3c2c(Br)ccc3F)c(=O)[n-]1 ZINC000543427921 503765005 /nfs/dbraw/zinc/76/50/05/503765005.db2.gz HJBONVYPDBPILU-ZDUSSCGKSA-N -1 3 352.207 3.169 20 0 FGADHM C[C@@H](Cc1nc2ccccc2s1)NC(=O)c1c[n-]c2ccccc2c1=O ZINC000533238072 503771315 /nfs/dbraw/zinc/77/13/15/503771315.db2.gz KQMYKLKPJSPXRQ-LBPRGKRZSA-N -1 3 363.442 3.499 20 0 FGADHM CC(C)N(Cc1ccc(-c2ccccc2F)s1)Cc1nc(=O)n(C)[n-]1 ZINC000543448635 503774574 /nfs/dbraw/zinc/77/45/74/503774574.db2.gz MLAOIMNTCIFGHR-UHFFFAOYSA-N -1 3 360.458 3.387 20 0 FGADHM CC(C)c1cc(C(=O)Nc2nnc(-c3c(F)cccc3F)[n-]2)cc(=O)[nH]1 ZINC000540474228 503782369 /nfs/dbraw/zinc/78/23/69/503782369.db2.gz AEBLWRFQPDYDCR-UHFFFAOYSA-N -1 3 359.336 3.226 20 0 FGADHM CC(C)c1cc(C(=O)Nc2nc(-c3c(F)cccc3F)n[n-]2)cc(=O)[nH]1 ZINC000540474228 503782373 /nfs/dbraw/zinc/78/23/73/503782373.db2.gz AEBLWRFQPDYDCR-UHFFFAOYSA-N -1 3 359.336 3.226 20 0 FGADHM CC(C)c1cc(C(=O)Nc2n[n-]c(-c3c(F)cccc3F)n2)cc(=O)[nH]1 ZINC000540474228 503782378 /nfs/dbraw/zinc/78/23/78/503782378.db2.gz AEBLWRFQPDYDCR-UHFFFAOYSA-N -1 3 359.336 3.226 20 0 FGADHM C[C@@H](CN1CCCCC1)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000527388866 503786527 /nfs/dbraw/zinc/78/65/27/503786527.db2.gz JYTNMUWMRLQSPG-NSHDSACASA-N -1 3 351.299 3.146 20 0 FGADHM CCc1ncc(S(=O)(=O)[N-][C@H](C[C@H]2CCOC2)c2ccccc2)s1 ZINC000546598149 503802321 /nfs/dbraw/zinc/80/23/21/503802321.db2.gz UNGKBDALVKWKFL-UKRRQHHQSA-N -1 3 366.508 3.152 20 0 FGADHM COc1cc(C(=O)N[C@@H]2[C@@H]3Cc4c(cccc4Cl)[C@@H]32)cc(OC)c1[O-] ZINC000530050537 503814806 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O=C(Nc1cnn(-c2cnc3ccccc3n2)c1)c1cc(-c2ccco2)[n-]n1 ZINC000534052702 504025869 /nfs/dbraw/zinc/02/58/69/504025869.db2.gz OIJVJRBVSFHJAI-UHFFFAOYSA-N -1 3 371.360 3.051 20 0 FGADHM O=C(Nc1cnn(-c2cnc3ccccc3n2)c1)c1cc(-c2ccco2)n[n-]1 ZINC000534052702 504025873 /nfs/dbraw/zinc/02/58/73/504025873.db2.gz OIJVJRBVSFHJAI-UHFFFAOYSA-N -1 3 371.360 3.051 20 0 FGADHM COc1ccc2c(c1)CCC[C@@H]2c1noc(Cc2c(C)nc(C)[n-]c2=O)n1 ZINC000547252804 504034052 /nfs/dbraw/zinc/03/40/52/504034052.db2.gz BCEXAKPMCFAHIG-INIZCTEOSA-N -1 3 366.421 3.250 20 0 FGADHM COCC[C@H]([N-]S(=O)(=O)c1ccc(OC)c(F)c1C)c1ccc(C)o1 ZINC000541190185 504036121 /nfs/dbraw/zinc/03/61/21/504036121.db2.gz PRLIHVBJAPYZOB-ZDUSSCGKSA-N -1 3 371.430 3.100 20 0 FGADHM CS(=O)(=O)[N-]c1ccc(-c2noc([C@@H]3C[C@H]3c3ccsc3)n2)cc1 ZINC000528080154 504062395 /nfs/dbraw/zinc/06/23/95/504062395.db2.gz HKBSLYWGSWHIGM-UONOGXRCSA-N -1 3 361.448 3.441 20 0 FGADHM C[C@H]1[C@H](C)N(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)CCN1C ZINC000537845077 504062742 /nfs/dbraw/zinc/06/27/42/504062742.db2.gz DSGFCBJAWPTAAF-RYUDHWBXSA-N -1 3 358.467 3.181 20 0 FGADHM CCc1cccc(C(=O)N2CCN(Cc3ccc(Cl)cc3)C(=O)C2)c1[O-] ZINC000530719561 504063533 /nfs/dbraw/zinc/06/35/33/504063533.db2.gz ANGPDYJQWJBSSU-UHFFFAOYSA-N -1 3 372.852 3.093 20 0 FGADHM Cc1cc(C(=O)N2CCC[C@@H]2c2ccc(Br)s2)[n-]c(=O)n1 ZINC000544293165 504076184 /nfs/dbraw/zinc/07/61/84/504076184.db2.gz UDHXUEUARWDUFL-SNVBAGLBSA-N -1 3 368.256 3.292 20 0 FGADHM CC(C)c1nc([C@H](C)[N-]S(=O)(=O)c2cccc(Cl)c2Cl)n[nH]1 ZINC000534243825 504082336 /nfs/dbraw/zinc/08/23/36/504082336.db2.gz HGZQKNCFSBNDGI-QMMMGPOBSA-N -1 3 363.270 3.274 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)c1cc2ccccc2o1)c1nnc2n1CCCCC2 ZINC000530771665 504083224 /nfs/dbraw/zinc/08/32/24/504083224.db2.gz FJNZHPMSEREKLR-AWEZNQCLSA-N -1 3 374.466 3.180 20 0 FGADHM Cc1cccc(CC(=O)Nc2nnc(C(F)(F)F)[n-]2)c1Br ZINC000528139399 504088023 /nfs/dbraw/zinc/08/80/23/504088023.db2.gz MNXQYOQJHXSJKU-UHFFFAOYSA-N -1 3 363.137 3.076 20 0 FGADHM Cc1cccc(CC(=O)Nc2nc(C(F)(F)F)n[n-]2)c1Br ZINC000528139399 504088029 /nfs/dbraw/zinc/08/80/29/504088029.db2.gz MNXQYOQJHXSJKU-UHFFFAOYSA-N -1 3 363.137 3.076 20 0 FGADHM COc1ccc(Br)cc1CC(=O)Nc1nc(C)ccc1[O-] ZINC000544347002 504096901 /nfs/dbraw/zinc/09/69/01/504096901.db2.gz ZTJNTYVDOQQCQZ-UHFFFAOYSA-N -1 3 351.200 3.048 20 0 FGADHM COC[C@]1(C(=O)[O-])CCN(c2c3cc(OC)ccc3nc3c2CCCC3)C1 ZINC000518984532 504110778 /nfs/dbraw/zinc/11/07/78/504110778.db2.gz AJLVGMJHLVKFCV-NRFANRHFSA-N -1 3 370.449 3.050 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)c2nc3ccccc3n2C(F)F)o1 ZINC000538007036 504111114 /nfs/dbraw/zinc/11/11/14/504111114.db2.gz QEFGBSXNNXBYFN-JTQLQIEISA-N -1 3 355.366 3.372 20 0 FGADHM COC(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)c1 ZINC000538011154 504112904 /nfs/dbraw/zinc/11/29/04/504112904.db2.gz FYTFVTZXJMSAOV-UHFFFAOYSA-N -1 3 367.398 3.200 20 0 FGADHM COC(=O)c1ccc(OC)c(S(=O)(=O)[N-]c2cccc(C)c2Cl)c1 ZINC000530868145 504114266 /nfs/dbraw/zinc/11/42/66/504114266.db2.gz QERLFBOAFFFCIJ-UHFFFAOYSA-N -1 3 369.826 3.244 20 0 FGADHM CC[C@@](C)([N-]S(=O)(=O)c1ccc2c(c1)CC(C)(C)O2)C(F)(F)F ZINC000547496180 504125983 /nfs/dbraw/zinc/12/59/83/504125983.db2.gz IKQKMNWPEIZPSC-CQSZACIVSA-N -1 3 351.390 3.409 20 0 FGADHM Cc1[n-][nH]c(=O)c1CCNC(=O)C1(c2ccc(Cl)c(Cl)c2)CCC1 ZINC000530915697 504129607 /nfs/dbraw/zinc/12/96/07/504129607.db2.gz OCZRZAONGWSZAL-GFCCVEGCSA-N -1 3 368.264 3.043 20 0 FGADHM COc1cc(=NC(=O)NCc2ccc(C)cc2O[C@@H](C)CC(C)C)[n-]n1C ZINC000547515127 504133649 /nfs/dbraw/zinc/13/36/49/504133649.db2.gz BERYEPHTANMGCD-HNNXBMFYSA-N -1 3 374.485 3.294 20 0 FGADHM COc1cc(=NC(=O)N(C)[C@H](C)c2ccc(Cl)cc2Cl)[n-]n1C ZINC000547516153 504133902 /nfs/dbraw/zinc/13/39/02/504133902.db2.gz OSJPDFNVIOSWFU-SECBINFHSA-N -1 3 357.241 3.382 20 0 FGADHM COc1cc(=NC(=O)NC[C@@H](C)c2c(Cl)cccc2Cl)[n-]n1C ZINC000547514816 504134224 /nfs/dbraw/zinc/13/42/24/504134224.db2.gz VSAWPFKHSWBZFR-SECBINFHSA-N -1 3 357.241 3.083 20 0 FGADHM COc1ccc(CN(Cc2n[nH]c(=O)[n-]2)[C@H]2CCCC[C@@H]2C)cc1OC ZINC000538118431 504134984 /nfs/dbraw/zinc/13/49/84/504134984.db2.gz FNXXLISIJDWALG-ZFWWWQNUSA-N -1 3 360.458 3.108 20 0 FGADHM COc1cc(=NC(=O)N[C@H](c2cccc(C(F)(F)F)c2)C(C)C)[n-]n1C ZINC000547521988 504136176 /nfs/dbraw/zinc/13/61/76/504136176.db2.gz YBWRHVZTIMXVQC-HNNXBMFYSA-N -1 3 370.375 3.388 20 0 FGADHM COc1cc(=NC(=O)N2CCCCC[C@H]2/C=C\c2ccccc2)[n-]n1C ZINC000547521746 504136528 /nfs/dbraw/zinc/13/65/28/504136528.db2.gz ZXFURFBCHUTCLN-QOHRORDFSA-N -1 3 354.454 3.341 20 0 FGADHM Cc1ncc(CNC(=O)Nc2cccc(CCC(F)(F)F)c2)c(=O)[n-]1 ZINC000541469846 504140210 /nfs/dbraw/zinc/14/02/10/504140210.db2.gz KTDLJKKBPAVQFA-UHFFFAOYSA-N -1 3 354.332 3.307 20 0 FGADHM Cc1cc(CSc2ncccc2C(=O)Nc2nc(C)ccc2[O-])no1 ZINC000541533087 504165511 /nfs/dbraw/zinc/16/55/11/504165511.db2.gz XJXFCZKEIDLWHY-UHFFFAOYSA-N -1 3 356.407 3.332 20 0 FGADHM Cc1ccc([O-])c(NC(=O)c2ccn(-c3cccc(Br)c3)n2)n1 ZINC000541532562 504165649 /nfs/dbraw/zinc/16/56/49/504165649.db2.gz HQWQZMYRIQMTFW-UHFFFAOYSA-N -1 3 373.210 3.296 20 0 FGADHM CCC1([N-]S(=O)(=O)c2c(OC)cccc2OC(F)(F)F)CCC1 ZINC000528335302 504174574 /nfs/dbraw/zinc/17/45/74/504174574.db2.gz BAKROFYMTPFQJJ-UHFFFAOYSA-N -1 3 353.362 3.205 20 0 FGADHM Cc1nc(-c2ccc(NC(=O)N3CC[C@@H](O)C34CCCC4)cc2)cc(=O)[n-]1 ZINC000519283253 504182619 /nfs/dbraw/zinc/18/26/19/504182619.db2.gz LIODSXIPDLGBKF-QGZVFWFLSA-N -1 3 368.437 3.069 20 0 FGADHM CC(C)S(=O)(=O)c1ccccc1[N-]C(=O)c1cc(-c2ccccn2)no1 ZINC000531092507 504185767 /nfs/dbraw/zinc/18/57/67/504185767.db2.gz PDIMRDDZWARQRL-UHFFFAOYSA-N -1 3 371.418 3.171 20 0 FGADHM Cc1cnc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2F)s1 ZINC000547714509 504196626 /nfs/dbraw/zinc/19/66/26/504196626.db2.gz VLGBLUYLSAVFAC-UHFFFAOYSA-N -1 3 354.350 3.088 20 0 FGADHM COc1ccc(CN(C)C)cc1[N-]S(=O)(=O)c1cc(C)cc(F)c1 ZINC000547713033 504197009 /nfs/dbraw/zinc/19/70/09/504197009.db2.gz DUVRRQXMRKABPJ-UHFFFAOYSA-N -1 3 352.431 3.005 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H]3CCCc4nc[nH]c43)c2)n1 ZINC000547756280 504213294 /nfs/dbraw/zinc/21/32/94/504213294.db2.gz YTYRNHRREDNERL-OAHLLOKOSA-N -1 3 363.421 3.193 20 0 FGADHM Cc1nc(C)c(S(=O)(=O)[N-]C[C@H]2SCCc3ccccc32)s1 ZINC000531194094 504223247 /nfs/dbraw/zinc/22/32/47/504223247.db2.gz FOGOVGGTZPMGJT-CQSZACIVSA-N -1 3 354.522 3.069 20 0 FGADHM COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-]CCCC1CC1 ZINC000547792229 504227676 /nfs/dbraw/zinc/22/76/76/504227676.db2.gz PDVCBWUYVCHMFZ-UHFFFAOYSA-N -1 3 361.891 3.224 20 0 FGADHM COc1cc(=NC(=O)[C@H](Cc2c(C)cc(C)cc2C)C(F)(F)F)[n-]n1C ZINC000547816408 504235685 /nfs/dbraw/zinc/23/56/85/504235685.db2.gz UFTUOLZXCXZGEB-AWEZNQCLSA-N -1 3 369.387 3.136 20 0 FGADHM CC(C)c1nc(S(=O)(=O)[N-]C(C)(C)c2nc3ccccc3s2)c[nH]1 ZINC000528469011 504237400 /nfs/dbraw/zinc/23/74/00/504237400.db2.gz FNKXODYAPSNIOF-UHFFFAOYSA-N -1 3 364.496 3.356 20 0 FGADHM COc1cc(=NC(=O)NCC2(c3cccc(F)c3)CCCCC2)[n-]n1C ZINC000547839125 504244061 /nfs/dbraw/zinc/24/40/61/504244061.db2.gz GPEXGZCOZXNUHE-UHFFFAOYSA-N -1 3 360.433 3.013 20 0 FGADHM COc1cc(=NC(=O)NCC2(Cc3ccccc3)CCCCC2)[n-]n1C ZINC000547840140 504244872 /nfs/dbraw/zinc/24/48/72/504244872.db2.gz PYXYOILTPALFNJ-UHFFFAOYSA-N -1 3 356.470 3.165 20 0 FGADHM O=S(=O)([N-][C@H](c1ccccn1)C1CCC1)c1cccnc1C(F)(F)F ZINC000528501493 504248867 /nfs/dbraw/zinc/24/88/67/504248867.db2.gz MXRDTDBCVLXPFH-AWEZNQCLSA-N -1 3 371.384 3.315 20 0 FGADHM O=S(=O)([N-][C@H](c1ccccn1)C1CCC1)c1cnccc1C(F)(F)F ZINC000528501538 504249301 /nfs/dbraw/zinc/24/93/01/504249301.db2.gz NGMUMCPURQEMKY-HNNXBMFYSA-N -1 3 371.384 3.315 20 0 FGADHM Cc1ccccc1[C@H](NC(=O)CNC(=O)c1ccc([O-])cc1)C(C)(C)C ZINC000531280731 504251302 /nfs/dbraw/zinc/25/13/02/504251302.db2.gz RSZBHEANCNJPLY-IBGZPJMESA-N -1 3 354.450 3.334 20 0 FGADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]C[C@H](C)c1nccs1 ZINC000541811793 504261270 /nfs/dbraw/zinc/26/12/70/504261270.db2.gz PHJMPUNRUWLARC-VIFPVBQESA-N -1 3 354.428 3.419 20 0 FGADHM O=C1CCc2cc(Cl)c(S(=O)(=O)[N-]CC[C@H]3CC=CCC3)cc2N1 ZINC000528528075 504262610 /nfs/dbraw/zinc/26/26/10/504262610.db2.gz JUAHOUSQMCYFIG-LBPRGKRZSA-N -1 3 368.886 3.249 20 0 FGADHM O=S(=O)([N-]C[C@@H]1CCN1C1CCCC1)c1ccc(C(F)(F)F)s1 ZINC000528548830 504268173 /nfs/dbraw/zinc/26/81/73/504268173.db2.gz JXOCFVKOCUMMMR-NSHDSACASA-N -1 3 368.446 3.062 20 0 FGADHM C[C@H]1CCC[C@H](C)N1CCNC(=O)N=c1nc(-c2ccccc2)[n-]s1 ZINC000531341931 504272423 /nfs/dbraw/zinc/27/24/23/504272423.db2.gz XZTODMJPOZTZGL-KBPBESRZSA-N -1 3 359.499 3.011 20 0 FGADHM CCCN(CCC)S(=O)(=O)[N-]c1cc(OC)ccc1OC(F)F ZINC000531345290 504273763 /nfs/dbraw/zinc/27/37/63/504273763.db2.gz JXUMKHQQJULQKX-UHFFFAOYSA-N -1 3 352.403 3.075 20 0 FGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1COc2ccc(C)cc21 ZINC000519614421 504273885 /nfs/dbraw/zinc/27/38/85/504273885.db2.gz FSCLLYKIYJIYRY-CYBMUJFWSA-N -1 3 353.827 3.069 20 0 FGADHM C[C@H]1CN(Cc2ccccc2)CC[C@H]1N=c1[n-]nc(-c2ccccn2)s1 ZINC000544836706 504274967 /nfs/dbraw/zinc/27/49/67/504274967.db2.gz FGGRDXKRJBHPKM-DOTOQJQBSA-N -1 3 365.506 3.345 20 0 FGADHM O=S(=O)([N-]CCC[C@H]1CCCCO1)c1csc(-c2ccccc2)n1 ZINC000544836361 504274987 /nfs/dbraw/zinc/27/49/87/504274987.db2.gz OGSURNBKFBGOCS-OAHLLOKOSA-N -1 3 366.508 3.438 20 0 FGADHM O=C([O-])COCCN1CCC(c2nc3cc(Cl)ccc3s2)CC1 ZINC000519646131 504287937 /nfs/dbraw/zinc/28/79/37/504287937.db2.gz UIMZTXVNZPIXJC-UHFFFAOYSA-N -1 3 354.859 3.230 20 0 FGADHM CN(C)C[C@@H](CN=c1[n-]nc(C(F)(F)F)s1)c1ccc(Cl)cc1 ZINC000519650565 504288995 /nfs/dbraw/zinc/28/89/95/504288995.db2.gz JTXDARVVKLHHPL-SNVBAGLBSA-N -1 3 364.824 3.390 20 0 FGADHM Cc1nc2c(n1[C@H]1CCN(C(=O)Cc3ccc([O-])cc3Cl)C1)CCCC2 ZINC000548006882 504291020 /nfs/dbraw/zinc/29/10/20/504291020.db2.gz CKWBXFSNTHOJIY-HNNXBMFYSA-N -1 3 373.884 3.445 20 0 FGADHM CC[C@H](Cc1nc(-c2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)no1)C(C)C ZINC000544905829 504297132 /nfs/dbraw/zinc/29/71/32/504297132.db2.gz CIQPWJZGMVQEEH-BLVKFPJESA-N -1 3 356.426 3.016 20 0 FGADHM CCOC(=O)c1cc(NC(=O)c2cc3c(s2)-c2ccccc2OC3)n[n-]1 ZINC000541903110 504298014 /nfs/dbraw/zinc/29/80/14/504298014.db2.gz RHEIFBYFDBALFZ-UHFFFAOYSA-N -1 3 369.402 3.460 20 0 FGADHM CCOC(=O)c1cc(NC(=O)c2cc3c(s2)-c2ccccc2OC3)[n-]n1 ZINC000541903110 504298018 /nfs/dbraw/zinc/29/80/18/504298018.db2.gz RHEIFBYFDBALFZ-UHFFFAOYSA-N -1 3 369.402 3.460 20 0 FGADHM CC(C)c1nc([C@H](C)[N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)n[nH]1 ZINC000534975467 504299222 /nfs/dbraw/zinc/29/92/22/504299222.db2.gz ITCOYDKKQVSAIK-QMMMGPOBSA-N -1 3 363.270 3.274 20 0 FGADHM COc1ccc([C@@H](OC)[C@H](C)[N-]S(=O)(=O)c2cccc(C)c2F)cc1 ZINC000541915059 504300492 /nfs/dbraw/zinc/30/04/92/504300492.db2.gz WNQZJNUKWLGYIS-UGSOOPFHSA-N -1 3 367.442 3.197 20 0 FGADHM CCSc1cccc(C(=O)Nc2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)c1 ZINC000535008166 504311068 /nfs/dbraw/zinc/31/10/68/504311068.db2.gz BDHRWDVJOADJEO-IBGZPJMESA-N -1 3 369.446 3.106 20 0 FGADHM O=C(Cc1ccc(Br)cc1[O-])NCCc1cccc(F)c1F ZINC000548073196 504319669 /nfs/dbraw/zinc/31/96/69/504319669.db2.gz DVLYMZMQIZMSTQ-UHFFFAOYSA-N -1 3 370.193 3.334 20 0 FGADHM Cn1[n-]c(-c2ccccc2Cl)nc1=NC(=O)c1cnc(C2CC2)s1 ZINC000519737154 504320064 /nfs/dbraw/zinc/32/00/64/504320064.db2.gz BPSTWFVKFJNOPD-UHFFFAOYSA-N -1 3 359.842 3.144 20 0 FGADHM C[S@@](=O)c1cccc(NC(=O)Cc2ccc(Br)cc2[O-])c1 ZINC000548077116 504321164 /nfs/dbraw/zinc/32/11/64/504321164.db2.gz WJGZRRHRRKLROQ-OAQYLSRUSA-N -1 3 368.252 3.073 20 0 FGADHM C[C@@H]1C[C@H]1CNC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000548082527 504322202 /nfs/dbraw/zinc/32/22/02/504322202.db2.gz KDGFFLYRWAXEHR-SFYZADRCSA-N -1 3 369.646 3.330 20 0 FGADHM C[C@@H]1C[C@H]1CNC(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000548082527 504322207 /nfs/dbraw/zinc/32/22/07/504322207.db2.gz KDGFFLYRWAXEHR-SFYZADRCSA-N -1 3 369.646 3.330 20 0 FGADHM Cc1cc([N-]S(=O)(=O)c2cc3ccccc3o2)n(C2CCN(C)CC2)n1 ZINC000531487568 504326108 /nfs/dbraw/zinc/32/61/08/504326108.db2.gz ZWKKHTPCZRITQJ-UHFFFAOYSA-N -1 3 374.466 3.005 20 0 FGADHM COc1ccc(S(=O)(=O)[N-][C@@](C)(C2CC2)C(F)(F)F)c2cccnc12 ZINC000548149032 504347098 /nfs/dbraw/zinc/34/70/98/504347098.db2.gz VBIVSKHRJZYCEW-HNNXBMFYSA-N -1 3 374.384 3.253 20 0 FGADHM Cc1cc([N-]C(=O)[C@@H](C)N2CCC[C@]3(CCc4ccccc4O3)C2)on1 ZINC000528729987 504353920 /nfs/dbraw/zinc/35/39/20/504353920.db2.gz BQVDXPGESJLVQD-QRWLVFNGSA-N -1 3 355.438 3.170 20 0 FGADHM CN(C)CCN(C(=O)c1cccc(Br)c1[O-])C1CCCC1 ZINC000538744198 504355529 /nfs/dbraw/zinc/35/55/29/504355529.db2.gz UCKSGQBFFVWUAB-UHFFFAOYSA-N -1 3 355.276 3.101 20 0 FGADHM CCCS(=O)(=O)[N-]c1ccc(-c2nc([C@@H]3CCO[C@H](C)C3)no2)cc1 ZINC000545091914 504355943 /nfs/dbraw/zinc/35/59/43/504355943.db2.gz GMHZWUPKLKDFGM-TZMCWYRMSA-N -1 3 365.455 3.171 20 0 FGADHM C[C@H]1CC(F)(F)CCN1Cc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000528771109 504374117 /nfs/dbraw/zinc/37/41/17/504374117.db2.gz SENONRGCMFPVOG-LBPRGKRZSA-N -1 3 359.380 3.141 20 0 FGADHM CC(C)c1csc2[n-]c(CN3C(=O)c4ccccc4C3=O)nc(=O)c12 ZINC000535239459 504379885 /nfs/dbraw/zinc/37/98/85/504379885.db2.gz YEHHDAGCSLFAKJ-UHFFFAOYSA-N -1 3 353.403 3.317 20 0 FGADHM Cc1ccc2c(c1)[C@H]([N-]S(=O)(=O)c1cccc(C(F)(F)F)c1)CO2 ZINC000531656996 504380947 /nfs/dbraw/zinc/38/09/47/504380947.db2.gz GZCAKHKDJDWDLQ-CQSZACIVSA-N -1 3 357.353 3.426 20 0 FGADHM Cc1ncc(CNC(=O)N[C@@H]2c3ccccc3CC[C@@H]2C(C)C)c(=O)[n-]1 ZINC000545204826 504394581 /nfs/dbraw/zinc/39/45/81/504394581.db2.gz LFJWUQFVAXQZEK-AEFFLSMTSA-N -1 3 354.454 3.250 20 0 FGADHM CC[C@@H](C[N-]S(=O)(=O)c1ccc(C(=O)OC)s1)c1ccccc1 ZINC000520025510 504399994 /nfs/dbraw/zinc/39/99/94/504399994.db2.gz LKYPRGPYGWLBSH-LBPRGKRZSA-N -1 3 353.465 3.007 20 0 FGADHM CC[C@H](C[N-]S(=O)(=O)c1ccc(C(=O)OC)s1)c1ccccc1 ZINC000520025509 504400299 /nfs/dbraw/zinc/40/02/99/504400299.db2.gz LKYPRGPYGWLBSH-GFCCVEGCSA-N -1 3 353.465 3.007 20 0 FGADHM COc1ccc(-n2nc(C(=O)N=c3cc(-c4ccccc4)[n-][nH]3)cc2C)cc1 ZINC000538895093 504408653 /nfs/dbraw/zinc/40/86/53/504408653.db2.gz PBDZQIIEHILNLT-UHFFFAOYSA-N -1 3 373.416 3.254 20 0 FGADHM COc1ccc([C@H](NCc2cc(=O)oc3cc([O-])ccc23)C2CC2)cn1 ZINC000528845718 504411198 /nfs/dbraw/zinc/41/11/98/504411198.db2.gz GOKWVIDRIKHQFD-HXUWFJFHSA-N -1 3 352.390 3.143 20 0 FGADHM C[C@H](CO)CCC[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000535371165 504416460 /nfs/dbraw/zinc/41/64/60/504416460.db2.gz HMVWZFMUPWXCAT-NSHDSACASA-N -1 3 374.915 3.150 20 0 FGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]CC(C)(C)C[C@H](C)O ZINC000542238127 504416528 /nfs/dbraw/zinc/41/65/28/504416528.db2.gz MEIADBHCUMOCLR-JTQLQIEISA-N -1 3 359.875 3.470 20 0 FGADHM O=S(=O)([N-][C@@H](Cc1ccccc1)c1ccccc1)c1cncc(F)c1 ZINC000520134032 504417141 /nfs/dbraw/zinc/41/71/41/504417141.db2.gz NIVFVTDDVOIWCT-IBGZPJMESA-N -1 3 356.422 3.483 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N[C@H]3C[C@H]3Cc3ccccc3)c[n-]c12 ZINC000531765839 504417229 /nfs/dbraw/zinc/41/72/29/504417229.db2.gz FMAGPBJKCHCEMW-KDOFPFPSSA-N -1 3 350.393 3.337 20 0 FGADHM C[C@H]1C[C@H](CC[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)CCO1 ZINC000542240552 504418889 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c1ccc([C@@H](CN=c2[n-]nc(C3CCOCC3)s2)N2CCCC2)cc1 ZINC000549108179 504688822 /nfs/dbraw/zinc/68/88/22/504688822.db2.gz XPHWUNDHLAFTQU-QGZVFWFLSA-N -1 3 358.511 3.103 20 0 FGADHM COc1cc2c(cc1C(=O)[N-]c1nnc(-c3ccsc3)s1)OCO2 ZINC000546062543 504695699 /nfs/dbraw/zinc/69/56/99/504695699.db2.gz VYGKGAJNOIGGOI-UHFFFAOYSA-N -1 3 361.404 3.256 20 0 FGADHM O=C(c1cc([O-])cc(Br)c1)N1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000529502100 504701299 /nfs/dbraw/zinc/70/12/99/504701299.db2.gz BXFTURURPBUDBH-IAQYHMDHSA-N -1 3 354.244 3.186 20 0 FGADHM COc1ccc([O-])c(C(=O)N[C@@H](C)Cc2cc(C)nn2-c2ccccc2)c1 ZINC000532590734 504703657 /nfs/dbraw/zinc/70/36/57/504703657.db2.gz TYUIWOOBPNKKPE-AWEZNQCLSA-N -1 3 365.433 3.256 20 0 FGADHM CCc1ccc([O-])c(C(=O)N[C@H](c2nccn2C)c2ccccc2F)c1 ZINC000539845643 504716319 /nfs/dbraw/zinc/71/63/19/504716319.db2.gz DEYCOPGGZPGBCT-SFHVURJKSA-N -1 3 353.397 3.347 20 0 FGADHM CCc1cccc(C(=O)N(CCOC)CCOc2ccc(F)cc2)c1[O-] ZINC000539845841 504716480 /nfs/dbraw/zinc/71/64/80/504716480.db2.gz 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/nfs/dbraw/zinc/41/17/60/517411760.db2.gz DEXSOEWEMZMHJG-ROUUACIJSA-N -1 3 354.454 3.254 20 0 FGADHM COCCOc1cc(C(=O)N=c2[nH][n-]c(C)c2-c2ccc(C)cc2)ccn1 ZINC000530274491 517670931 /nfs/dbraw/zinc/67/09/31/517670931.db2.gz VYRJWORVEBEXJJ-UHFFFAOYSA-N -1 3 366.421 3.366 20 0 FGADHM COCCn1cc(C(=O)N=c2[nH][n-]c(C)c2-c2ccc(C)cc2)c(C)n1 ZINC000530272081 517671554 /nfs/dbraw/zinc/67/15/54/517671554.db2.gz JSPYPKAHPSRGOY-UHFFFAOYSA-N -1 3 353.426 3.097 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@H]2CCN(CC(F)(F)F)C2)c1-c1ccccc1 ZINC000527476230 517698740 /nfs/dbraw/zinc/69/87/40/517698740.db2.gz YJJWVGVQVKESBQ-ZDUSSCGKSA-N -1 3 352.360 3.208 20 0 FGADHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1ccc(OCc2ccccc2)nc1 ZINC000527499015 517711305 /nfs/dbraw/zinc/71/13/05/517711305.db2.gz CUNHHXAEWWDUEQ-KRWDZBQOSA-N -1 3 364.405 3.488 20 0 FGADHM COc1cc(Br)ccc1C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000527500929 517713237 /nfs/dbraw/zinc/71/32/37/517713237.db2.gz RZIQAGSXZDZNCN-LBPRGKRZSA-N -1 3 366.215 3.285 20 0 FGADHM Cc1cc(S(C)(=O)=O)cc(C(=O)N=c2cc(-c3ccccc3)[n-][nH]2)c1C ZINC000534032723 517717147 /nfs/dbraw/zinc/71/71/47/517717147.db2.gz DNGVANZORTWUHT-UHFFFAOYSA-N -1 3 369.446 3.349 20 0 FGADHM Cc1ccc(Cc2n[n-]c(=NC(=O)NCCN3CCC(C)CC3)s2)cc1 ZINC000521750139 517845654 /nfs/dbraw/zinc/84/56/54/517845654.db2.gz XSUSXTGTGXHVMF-UHFFFAOYSA-N -1 3 373.526 3.291 20 0 FGADHM CCN1C[C@H](C(=O)N=c2cc(-c3cc(Cl)cc(Cl)c3)[n-][nH]2)CC1=O ZINC000530798546 517982717 /nfs/dbraw/zinc/98/27/17/517982717.db2.gz QDDYJWDXCJZOMD-SNVBAGLBSA-N -1 3 367.236 3.190 20 0 FGADHM CCC(=O)N[C@H](CCSC)C(=O)N=c1cc(-c2cc(C)cc(C)c2)[n-][nH]1 ZINC000522635233 518138856 /nfs/dbraw/zinc/13/88/56/518138856.db2.gz AVKKAFHKYHZKHP-OAHLLOKOSA-N -1 3 374.510 3.280 20 0 FGADHM Cc1ccccc1C1(C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)CCOCC1 ZINC000616825793 520164478 /nfs/dbraw/zinc/16/44/78/520164478.db2.gz AQTZUZFJAWTTAD-KRWDZBQOSA-N -1 3 355.438 3.257 20 0 FGADHM Cc1ccn2ncc(C(=O)N=c3cc(-c4cccc(Cl)c4)[n-][nH]3)c2n1 ZINC000603966177 520418436 /nfs/dbraw/zinc/41/84/36/520418436.db2.gz BFILDPXUZIMZDP-UHFFFAOYSA-N -1 3 352.785 3.334 20 0 FGADHM Cn1cc(I)c(=NC(=O)[C@@H]2CCCC[C@H]2C2CC2)[n-]1 ZINC000602389303 521314917 /nfs/dbraw/zinc/31/49/17/521314917.db2.gz HQNVSKMWCBKGRD-WDEREUQCSA-N -1 3 373.238 3.180 20 0 FGADHM CC(C)CNC(=O)N1CCC[C@@H](C(=O)N=c2cc(-c3ccccc3)[n-][nH]2)C1 ZINC000607384301 521350677 /nfs/dbraw/zinc/35/06/77/521350677.db2.gz SOLGLPLOSSTYQI-MRXNPFEDSA-N -1 3 369.469 3.093 20 0 FGADHM COc1cccc(-c2c(C)[n-][nH]c2=NC(=O)c2cnn3c2C[C@H](C)CC3)c1 ZINC000629692404 522397007 /nfs/dbraw/zinc/39/70/07/522397007.db2.gz NPBPOWKADKIISR-GFCCVEGCSA-N -1 3 365.437 3.425 20 0 FGADHM COc1cccc(-c2c(C)[n-][nH]c2=NC(=O)[C@@H](C)OC[C@H]2CCCCO2)c1 ZINC000629693825 522397086 /nfs/dbraw/zinc/39/70/86/522397086.db2.gz ONRROKZMXSQUHH-RHSMWYFYSA-N -1 3 373.453 3.306 20 0 FGADHM COc1cccc(-c2c(C)[n-][nH]c2=NC(=O)[C@H]2CCCc3nn(C)cc32)c1 ZINC000629696414 522400015 /nfs/dbraw/zinc/40/00/15/522400015.db2.gz ZFUGGCTVSSGPAZ-HNNXBMFYSA-N -1 3 365.437 3.186 20 0 FGADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)[C@@H]2C[C@H]2c2cncn2C)[nH][n-]1 ZINC000629955088 522545135 /nfs/dbraw/zinc/54/51/35/522545135.db2.gz QIUHGOUCZULGDN-VXGBXAGGSA-N -1 3 371.828 3.214 20 0 FGADHM C[C@@H](CN(C)C)NC(=O)N=c1[n-]nc(-c2c(F)cccc2Cl)s1 ZINC000481299677 561229930 /nfs/dbraw/zinc/22/99/30/561229930.db2.gz GKQVRXVZJCVUDW-QMMMGPOBSA-N -1 3 357.842 3.069 20 0 FGADHM CN(CCCN(C)C(=O)N=c1ccc(C(F)(F)F)n[n-]1)Cc1ccco1 ZINC000481486444 561233673 /nfs/dbraw/zinc/23/36/73/561233673.db2.gz OZLSVJXQXHEWHC-UHFFFAOYSA-N -1 3 371.363 3.074 20 0 FGADHM CC(C)Oc1ccc(=NC(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)[n-]n1 ZINC000482371603 561253233 /nfs/dbraw/zinc/25/32/33/561253233.db2.gz ZGBVNIGBVVQZCN-RDTXWAMCSA-N -1 3 357.458 3.077 20 0 FGADHM C[C@H]1CCC[C@H](C)N1CCNC(=O)N=c1[n-]nc(CC(F)(F)F)s1 ZINC000483990777 561289017 /nfs/dbraw/zinc/28/90/17/561289017.db2.gz YXKQYGCVZIYRKM-UWVGGRQHSA-N -1 3 365.425 3.027 20 0 FGADHM CCSc1n[n-]c(=NC(=O)NCc2cccc(CN(C)C)c2)s1 ZINC000515132281 561997550 /nfs/dbraw/zinc/99/75/50/561997550.db2.gz GJKWVNAFOLFRPH-UHFFFAOYSA-N -1 3 351.501 3.033 20 0 FGADHM CNC(=O)c1ccc(=NC[C@H](CC(C)C)N[C@H](C)c2ccccc2)[n-]n1 ZINC000470859088 560992068 /nfs/dbraw/zinc/99/20/68/560992068.db2.gz IRAJCWFIYRGLOX-WBVHZDCISA-N -1 3 355.486 3.014 20 0 FGADHM O=C(NCc1ccc([O-])c(Br)c1)N1CC(Cc2ccco2)C1 ZINC000636944486 568215738 /nfs/dbraw/zinc/21/57/38/568215738.db2.gz SRGAECQUTOATMN-UHFFFAOYSA-N -1 3 365.227 3.132 20 0 FGADHM Cn1cc(C(=O)N(C2CC2)[C@H]2CCCC[C@@H]2C2CCCCC2)c(=O)[n-]c1=O ZINC000525797552 568305342 /nfs/dbraw/zinc/30/53/42/568305342.db2.gz YWQGYTIQMFVUNC-AEFFLSMTSA-N -1 3 373.497 3.230 20 0 FGADHM CN(C(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1cc(Cl)cc(Cl)c1 ZINC000736739838 598823081 /nfs/dbraw/zinc/82/30/81/598823081.db2.gz URBUDKDMTNOPPV-UHFFFAOYSA-N -1 3 362.220 3.379 20 0 FGADHM CC[C@H](OC(=O)COc1ccccc1-c1nnn[n-]1)c1ccc(F)cc1F ZINC000736383706 598823312 /nfs/dbraw/zinc/82/33/12/598823312.db2.gz UBGIQTJMQNCKBZ-HNNXBMFYSA-N -1 3 374.347 3.218 20 0 FGADHM CC[C@H](OC(=O)COc1ccccc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC000736383706 598823314 /nfs/dbraw/zinc/82/33/14/598823314.db2.gz UBGIQTJMQNCKBZ-HNNXBMFYSA-N -1 3 374.347 3.218 20 0 FGADHM O=C(CCC1CC1)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000737822015 598834162 /nfs/dbraw/zinc/83/41/62/598834162.db2.gz AQGPPOOXDZPCRO-UHFFFAOYSA-N -1 3 353.451 3.402 20 0 FGADHM CC[C@H]1CCCCCN1C(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000736398808 598837086 /nfs/dbraw/zinc/83/70/86/598837086.db2.gz DMSRFFVPCABUPZ-INIZCTEOSA-N -1 3 359.499 3.281 20 0 FGADHM CC[C@H]1CCCCCN1C(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000736398808 598837088 /nfs/dbraw/zinc/83/70/88/598837088.db2.gz DMSRFFVPCABUPZ-INIZCTEOSA-N -1 3 359.499 3.281 20 0 FGADHM Cc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)cn2)cc1OCCC(C)C ZINC000737360042 598839019 /nfs/dbraw/zinc/83/90/19/598839019.db2.gz KDNAXXFWKZMEBA-UHFFFAOYSA-N -1 3 366.425 3.247 20 0 FGADHM Cc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)cn2)cc1OCCC(C)C ZINC000737360042 598839020 /nfs/dbraw/zinc/83/90/20/598839020.db2.gz KDNAXXFWKZMEBA-UHFFFAOYSA-N -1 3 366.425 3.247 20 0 FGADHM CC[C@@H](OC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000736384190 598843783 /nfs/dbraw/zinc/84/37/83/598843783.db2.gz VXZUKWSBHFTIAW-XJKSGUPXSA-N -1 3 352.394 3.329 20 0 FGADHM CC[C@@H](OC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000736384190 598843784 /nfs/dbraw/zinc/84/37/84/598843784.db2.gz VXZUKWSBHFTIAW-XJKSGUPXSA-N -1 3 352.394 3.329 20 0 FGADHM O=C(O[C@H]1C=CCCC1)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000738213101 598844198 /nfs/dbraw/zinc/84/41/98/598844198.db2.gz FHWFKDGRWRGHCC-ZDUSSCGKSA-N -1 3 366.377 3.304 20 0 FGADHM O=C(O[C@H]1C=CCCC1)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000738213101 598844199 /nfs/dbraw/zinc/84/41/99/598844199.db2.gz FHWFKDGRWRGHCC-ZDUSSCGKSA-N -1 3 366.377 3.304 20 0 FGADHM O[C@H](CNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccsc1 ZINC000738381878 598854856 /nfs/dbraw/zinc/85/48/56/598854856.db2.gz ITDHPNZDIOVRTO-GFCCVEGCSA-N -1 3 355.345 3.093 20 0 FGADHM O[C@H](CNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccsc1 ZINC000738381878 598854857 /nfs/dbraw/zinc/85/48/57/598854857.db2.gz ITDHPNZDIOVRTO-GFCCVEGCSA-N -1 3 355.345 3.093 20 0 FGADHM c1ccc(CCc2noc(CSc3ccc(-c4nnn[n-]4)cc3)n2)cc1 ZINC000738432106 598860348 /nfs/dbraw/zinc/86/03/48/598860348.db2.gz BIMICIKOGDIUDM-UHFFFAOYSA-N -1 3 364.434 3.327 20 0 FGADHM c1ccc(CCc2noc(CSc3ccc(-c4nn[n-]n4)cc3)n2)cc1 ZINC000738432106 598860349 /nfs/dbraw/zinc/86/03/49/598860349.db2.gz BIMICIKOGDIUDM-UHFFFAOYSA-N -1 3 364.434 3.327 20 0 FGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(C(C)C)no1 ZINC000735905228 598862306 /nfs/dbraw/zinc/86/23/06/598862306.db2.gz HJLBYBONUKSJJZ-UHFFFAOYSA-N -1 3 356.386 3.018 20 0 FGADHM O=C(O[C@@H]1CCCC[C@@H]1c1ccc(F)cc1)c1ccc(-c2nnn[n-]2)cn1 ZINC000738213813 598864800 /nfs/dbraw/zinc/86/48/00/598864800.db2.gz HQCWOZDZMYOJPD-NVXWUHKLSA-N -1 3 367.384 3.284 20 0 FGADHM O=C(O[C@@H]1CCCC[C@@H]1c1ccc(F)cc1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738213813 598864801 /nfs/dbraw/zinc/86/48/01/598864801.db2.gz HQCWOZDZMYOJPD-NVXWUHKLSA-N -1 3 367.384 3.284 20 0 FGADHM CC1CCC(Oc2cc(CNc3ccc(-c4nnn[n-]4)cn3)ccn2)CC1 ZINC000736246135 598869942 /nfs/dbraw/zinc/86/99/42/598869942.db2.gz ZOQJFYQUEHNMDB-UHFFFAOYSA-N -1 3 365.441 3.226 20 0 FGADHM CC1CCC(Oc2cc(CNc3ccc(-c4nn[n-]n4)cn3)ccn2)CC1 ZINC000736246135 598869943 /nfs/dbraw/zinc/86/99/43/598869943.db2.gz ZOQJFYQUEHNMDB-UHFFFAOYSA-N -1 3 365.441 3.226 20 0 FGADHM C[C@@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)Cc1ccccc1Cl ZINC000736041501 598883192 /nfs/dbraw/zinc/88/31/92/598883192.db2.gz WSQMSYYHGQGMKB-LBPRGKRZSA-N -1 3 372.812 3.073 20 0 FGADHM C[C@@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)Cc1ccccc1Cl ZINC000736041501 598883193 /nfs/dbraw/zinc/88/31/93/598883193.db2.gz WSQMSYYHGQGMKB-LBPRGKRZSA-N -1 3 372.812 3.073 20 0 FGADHM CCc1ccc(C(=O)O[C@@H](C)COc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736687770 598889463 /nfs/dbraw/zinc/88/94/63/598889463.db2.gz PAXAXONGVFIRPP-ZDUSSCGKSA-N -1 3 352.394 3.053 20 0 FGADHM CCc1ccc(C(=O)O[C@@H](C)COc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736687770 598889464 /nfs/dbraw/zinc/88/94/64/598889464.db2.gz PAXAXONGVFIRPP-ZDUSSCGKSA-N -1 3 352.394 3.053 20 0 FGADHM O=C(COc1cccc(-c2nnn[n-]2)c1)OCc1ccc2ccccc2c1 ZINC000737924445 598898918 /nfs/dbraw/zinc/89/89/18/598898918.db2.gz GPXLESHJYYIJLL-UHFFFAOYSA-N -1 3 360.373 3.142 20 0 FGADHM O=C(COc1cccc(-c2nn[n-]n2)c1)OCc1ccc2ccccc2c1 ZINC000737924445 598898920 /nfs/dbraw/zinc/89/89/20/598898920.db2.gz GPXLESHJYYIJLL-UHFFFAOYSA-N -1 3 360.373 3.142 20 0 FGADHM CC(C)[C@H](Cc1ccccc1)C(=O)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000735712325 598901763 /nfs/dbraw/zinc/90/17/63/598901763.db2.gz SZJHSWMYPASIGZ-SFHVURJKSA-N -1 3 350.422 3.425 20 0 FGADHM CC(C)[C@H](Cc1ccccc1)C(=O)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000735712325 598901764 /nfs/dbraw/zinc/90/17/64/598901764.db2.gz SZJHSWMYPASIGZ-SFHVURJKSA-N -1 3 350.422 3.425 20 0 FGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)NCc1coc2ccccc12 ZINC000737939837 598909648 /nfs/dbraw/zinc/90/96/48/598909648.db2.gz CHQOMYHSMITOMJ-UHFFFAOYSA-N -1 3 365.418 3.021 20 0 FGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)NCc1coc2ccccc12 ZINC000737939837 598909649 /nfs/dbraw/zinc/90/96/49/598909649.db2.gz CHQOMYHSMITOMJ-UHFFFAOYSA-N -1 3 365.418 3.021 20 0 FGADHM C[C@](O)(CNc1ccc(Cl)cc1-c1nnn[n-]1)c1ccc(F)cc1F ZINC000736144290 598915421 /nfs/dbraw/zinc/91/54/21/598915421.db2.gz YRNSCUNWGVEWFY-INIZCTEOSA-N -1 3 365.771 3.118 20 0 FGADHM C[C@](O)(CNc1ccc(Cl)cc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC000736144290 598915422 /nfs/dbraw/zinc/91/54/22/598915422.db2.gz YRNSCUNWGVEWFY-INIZCTEOSA-N -1 3 365.771 3.118 20 0 FGADHM C[C@@H](NC(=O)N1CCC[C@]2(CC=CCC2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736113552 598919647 /nfs/dbraw/zinc/91/96/47/598919647.db2.gz PMZMBBGLXOVSIS-FOIQADDNSA-N -1 3 366.469 3.460 20 0 FGADHM C[C@@H](NC(=O)N1CCC[C@]2(CC=CCC2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736113552 598919648 /nfs/dbraw/zinc/91/96/48/598919648.db2.gz PMZMBBGLXOVSIS-FOIQADDNSA-N -1 3 366.469 3.460 20 0 FGADHM Cc1ccc2cccc(NC(=O)NCc3ccc(-c4nnn[n-]4)cc3)c2n1 ZINC000737372977 598923804 /nfs/dbraw/zinc/92/38/04/598923804.db2.gz ABWNRRSBBFHDJA-UHFFFAOYSA-N -1 3 359.393 3.045 20 0 FGADHM Cc1ccc2cccc(NC(=O)NCc3ccc(-c4nn[n-]n4)cc3)c2n1 ZINC000737372977 598923805 /nfs/dbraw/zinc/92/38/05/598923805.db2.gz ABWNRRSBBFHDJA-UHFFFAOYSA-N -1 3 359.393 3.045 20 0 FGADHM CCc1c(C)sc(NC(=O)c2cnc(C)nc2C(C)C)c1-c1nnn[n-]1 ZINC000736676397 598927845 /nfs/dbraw/zinc/92/78/45/598927845.db2.gz UAOLLDVLSOYJBV-UHFFFAOYSA-N -1 3 371.470 3.273 20 0 FGADHM CCc1c(C)sc(NC(=O)c2cnc(C)nc2C(C)C)c1-c1nn[n-]n1 ZINC000736676397 598927846 /nfs/dbraw/zinc/92/78/46/598927846.db2.gz UAOLLDVLSOYJBV-UHFFFAOYSA-N -1 3 371.470 3.273 20 0 FGADHM Fc1ccc(-c2nc(CCNc3ccc(-c4nn[n-]n4)cc3F)co2)cc1 ZINC000737649130 598940495 /nfs/dbraw/zinc/94/04/95/598940495.db2.gz DFRNGQSBHVMBLG-UHFFFAOYSA-N -1 3 368.347 3.455 20 0 FGADHM CC(C)c1ccc(N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)cc1 ZINC000735928326 598959100 /nfs/dbraw/zinc/95/91/00/598959100.db2.gz IVXTVXVLEBGYSG-GOSISDBHSA-N -1 3 362.437 3.208 20 0 FGADHM CC(C)c1ccc(N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)cc1 ZINC000735928326 598959101 /nfs/dbraw/zinc/95/91/01/598959101.db2.gz IVXTVXVLEBGYSG-GOSISDBHSA-N -1 3 362.437 3.208 20 0 FGADHM CCC[C@@H](C)NC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736424255 598980145 /nfs/dbraw/zinc/98/01/45/598980145.db2.gz OYTXJTIHZHATPG-CQSZACIVSA-N -1 3 365.437 3.364 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(C)(C)c1cccs1 ZINC000736634799 598997002 /nfs/dbraw/zinc/99/70/02/598997002.db2.gz IWKZGJFQDREQAB-UHFFFAOYSA-N -1 3 357.439 3.243 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(C)(C)c1cccs1 ZINC000736634799 598997003 /nfs/dbraw/zinc/99/70/03/598997003.db2.gz IWKZGJFQDREQAB-UHFFFAOYSA-N -1 3 357.439 3.243 20 0 FGADHM C[C@H](CCC1CCCCC1)NC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000735987352 599007811 /nfs/dbraw/zinc/00/78/11/599007811.db2.gz ZABZTUVDQOHEGJ-CQSZACIVSA-N -1 3 357.458 3.111 20 0 FGADHM CCCCC[C@@H](NC(=O)COc1cccc(-c2nnn[n-]2)c1)C(C)(C)C ZINC000736440501 599008518 /nfs/dbraw/zinc/00/85/18/599008518.db2.gz CHCRWWMZTXCMRH-MRXNPFEDSA-N -1 3 359.474 3.357 20 0 FGADHM CCCCC[C@@H](NC(=O)COc1cccc(-c2nn[n-]n2)c1)C(C)(C)C ZINC000736440501 599008520 /nfs/dbraw/zinc/00/85/20/599008520.db2.gz CHCRWWMZTXCMRH-MRXNPFEDSA-N -1 3 359.474 3.357 20 0 FGADHM C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000736230908 599008851 /nfs/dbraw/zinc/00/88/51/599008851.db2.gz AIJXSBSGZMIECD-BEFAXECRSA-N -1 3 361.449 3.204 20 0 FGADHM C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000736230908 599008852 /nfs/dbraw/zinc/00/88/52/599008852.db2.gz AIJXSBSGZMIECD-BEFAXECRSA-N -1 3 361.449 3.204 20 0 FGADHM Cc1cccnc1[C@H](NC(=O)CCc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000737435427 599009146 /nfs/dbraw/zinc/00/91/46/599009146.db2.gz NQTLXHFXLJDVJO-GOSISDBHSA-N -1 3 364.453 3.016 20 0 FGADHM Cc1cccnc1[C@H](NC(=O)CCc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000737435427 599009148 /nfs/dbraw/zinc/00/91/48/599009148.db2.gz NQTLXHFXLJDVJO-GOSISDBHSA-N -1 3 364.453 3.016 20 0 FGADHM CCO[C@@H]1C[C@H](N(C)C(=O)Nc2ccc(-c3nnn[n-]3)cc2)C12CCCC2 ZINC000736617143 599012463 /nfs/dbraw/zinc/01/24/63/599012463.db2.gz QATZHPVAVIJAGV-JKSUJKDBSA-N -1 3 370.457 3.068 20 0 FGADHM CCO[C@@H]1C[C@H](N(C)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)C12CCCC2 ZINC000736617143 599012465 /nfs/dbraw/zinc/01/24/65/599012465.db2.gz QATZHPVAVIJAGV-JKSUJKDBSA-N -1 3 370.457 3.068 20 0 FGADHM CSc1ccc(O[C@@H](C)C(=O)OCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737190908 599017183 /nfs/dbraw/zinc/01/71/83/599017183.db2.gz JYEZQNJBZPCKCA-LBPRGKRZSA-N -1 3 370.434 3.099 20 0 FGADHM CSc1ccc(O[C@@H](C)C(=O)OCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737190908 599017185 /nfs/dbraw/zinc/01/71/85/599017185.db2.gz JYEZQNJBZPCKCA-LBPRGKRZSA-N -1 3 370.434 3.099 20 0 FGADHM Fc1cc(NC(=S)Nc2ccccc2-c2nnn[n-]2)cc(F)c1F ZINC000737650255 599033451 /nfs/dbraw/zinc/03/34/51/599033451.db2.gz GWAVPQLMIDSFEK-UHFFFAOYSA-N -1 3 350.329 3.093 20 0 FGADHM Fc1cc(NC(=S)Nc2ccccc2-c2nn[n-]n2)cc(F)c1F ZINC000737650255 599033452 /nfs/dbraw/zinc/03/34/52/599033452.db2.gz GWAVPQLMIDSFEK-UHFFFAOYSA-N -1 3 350.329 3.093 20 0 FGADHM Cc1ccccc1[C@@H]1CN(c2c(Cl)cccc2-c2nnn[n-]2)CCO1 ZINC000822351756 599036679 /nfs/dbraw/zinc/03/66/79/599036679.db2.gz PXJZFNYKVWABIJ-INIZCTEOSA-N -1 3 355.829 3.406 20 0 FGADHM Cc1ccccc1[C@@H]1CN(c2c(Cl)cccc2-c2nn[n-]n2)CCO1 ZINC000822351756 599036681 /nfs/dbraw/zinc/03/66/81/599036681.db2.gz PXJZFNYKVWABIJ-INIZCTEOSA-N -1 3 355.829 3.406 20 0 FGADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(N2CCC[C@H](C(F)(F)F)C2)n1 ZINC000737631553 599040556 /nfs/dbraw/zinc/04/05/56/599040556.db2.gz GLJGEIMRKHKISC-ZETCQYMHSA-N -1 3 366.269 3.059 20 0 FGADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(N2CCC[C@H](C(F)(F)F)C2)n1 ZINC000737631553 599040559 /nfs/dbraw/zinc/04/05/59/599040559.db2.gz GLJGEIMRKHKISC-ZETCQYMHSA-N -1 3 366.269 3.059 20 0 FGADHM COc1ccc2c(c1)OCC[C@H]2Nc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000821854150 599044334 /nfs/dbraw/zinc/04/43/34/599044334.db2.gz GQLNMKIKOGNUPB-QGZVFWFLSA-N -1 3 374.404 3.359 20 0 FGADHM COc1ccc2c(c1)OCC[C@H]2Nc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000821854150 599044337 /nfs/dbraw/zinc/04/43/37/599044337.db2.gz GQLNMKIKOGNUPB-QGZVFWFLSA-N -1 3 374.404 3.359 20 0 FGADHM CC1(C)[C@H](Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)[C@@H]2CCO[C@@H]21 ZINC000736204687 599045534 /nfs/dbraw/zinc/04/55/34/599045534.db2.gz FSJDZLPWEJGBJU-UHTWSYAYSA-N -1 3 353.348 3.111 20 0 FGADHM CC1(C)[C@H](Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)[C@@H]2CCO[C@@H]21 ZINC000736204687 599045537 /nfs/dbraw/zinc/04/55/37/599045537.db2.gz FSJDZLPWEJGBJU-UHTWSYAYSA-N -1 3 353.348 3.111 20 0 FGADHM CCS[C@@H]1CCCCN(c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)C1 ZINC000736664174 599056636 /nfs/dbraw/zinc/05/66/36/599056636.db2.gz JSJOIXDWDMWDOO-SNVBAGLBSA-N -1 3 372.420 3.393 20 0 FGADHM CCS[C@@H]1CCCCN(c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)C1 ZINC000736664174 599056639 /nfs/dbraw/zinc/05/66/39/599056639.db2.gz JSJOIXDWDMWDOO-SNVBAGLBSA-N -1 3 372.420 3.393 20 0 FGADHM Fc1ccc(N2CC[C@@H](COCc3ccccc3)C2)c(-c2nnn[n-]2)c1 ZINC000822778508 599063304 /nfs/dbraw/zinc/06/33/04/599063304.db2.gz JRJBAAHANLEKSY-OAHLLOKOSA-N -1 3 353.401 3.049 20 0 FGADHM Fc1ccc(N2CC[C@@H](COCc3ccccc3)C2)c(-c2nn[n-]n2)c1 ZINC000822778508 599063307 /nfs/dbraw/zinc/06/33/07/599063307.db2.gz JRJBAAHANLEKSY-OAHLLOKOSA-N -1 3 353.401 3.049 20 0 FGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1F)Nc1cccc(Cl)c1 ZINC000737947519 599067107 /nfs/dbraw/zinc/06/71/07/599067107.db2.gz LMVBYZDOJDXQHI-UHFFFAOYSA-N -1 3 363.805 3.390 20 0 FGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1F)Nc1cccc(Cl)c1 ZINC000737947519 599067109 /nfs/dbraw/zinc/06/71/09/599067109.db2.gz LMVBYZDOJDXQHI-UHFFFAOYSA-N -1 3 363.805 3.390 20 0 FGADHM C[C@@H]1CCC[C@H](NC(=O)CSc2ccc(-c3nnn[n-]3)cc2F)[C@H]1C ZINC000736259572 599067587 /nfs/dbraw/zinc/06/75/87/599067587.db2.gz JOXPGSQYHRWYLY-SUNKGSAMSA-N -1 3 363.462 3.039 20 0 FGADHM C[C@@H]1CCC[C@H](NC(=O)CSc2ccc(-c3nn[n-]n3)cc2F)[C@H]1C ZINC000736259572 599067590 /nfs/dbraw/zinc/06/75/90/599067590.db2.gz JOXPGSQYHRWYLY-SUNKGSAMSA-N -1 3 363.462 3.039 20 0 FGADHM Cc1cccc2c(CCC(=O)N(C)Cc3cccc(-c4nnn[n-]4)c3)c[nH]c21 ZINC000737408195 599068666 /nfs/dbraw/zinc/06/86/66/599068666.db2.gz HAYKZOHDEGWBER-UHFFFAOYSA-N -1 3 374.448 3.248 20 0 FGADHM Cc1cccc2c(CCC(=O)N(C)Cc3cccc(-c4nn[n-]n4)c3)c[nH]c21 ZINC000737408195 599068669 /nfs/dbraw/zinc/06/86/69/599068669.db2.gz HAYKZOHDEGWBER-UHFFFAOYSA-N -1 3 374.448 3.248 20 0 FGADHM C[C@H]1CCC[C@@H](C(=O)N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC000736245263 599074729 /nfs/dbraw/zinc/07/47/29/599074729.db2.gz RQSGPZANZVDAPT-GOEBONIOSA-N -1 3 369.469 3.063 20 0 FGADHM C[C@H](COCc1ccccc1)Nc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000820287757 599080663 /nfs/dbraw/zinc/08/06/63/599080663.db2.gz PQZZUMTWDJQDHO-CQSZACIVSA-N -1 3 360.421 3.432 20 0 FGADHM C[C@H](COCc1ccccc1)Nc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000820287757 599080665 /nfs/dbraw/zinc/08/06/65/599080665.db2.gz PQZZUMTWDJQDHO-CQSZACIVSA-N -1 3 360.421 3.432 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1NCCc1nc(C(F)(F)F)cs1 ZINC000822748332 599105165 /nfs/dbraw/zinc/10/51/65/599105165.db2.gz UNOYHEVAPXWXCZ-UHFFFAOYSA-N -1 3 358.324 3.136 20 0 FGADHM OC[C@@H](Cc1c[nH]c2ccccc12)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000823706898 599106269 /nfs/dbraw/zinc/10/62/69/599106269.db2.gz RKQSGVKXYZLNLI-CYBMUJFWSA-N -1 3 368.828 3.017 20 0 FGADHM OC[C@@H](Cc1c[nH]c2ccccc12)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000823706898 599106272 /nfs/dbraw/zinc/10/62/72/599106272.db2.gz RKQSGVKXYZLNLI-CYBMUJFWSA-N -1 3 368.828 3.017 20 0 FGADHM C[C@H](Sc1ccccc1-c1nnn[n-]1)C(=O)Nc1cc(F)ccc1F ZINC000736191356 599107958 /nfs/dbraw/zinc/10/79/58/599107958.db2.gz IGJUJHCUSWPTGB-VIFPVBQESA-N -1 3 361.377 3.264 20 0 FGADHM C[C@H](Sc1ccccc1-c1nn[n-]n1)C(=O)Nc1cc(F)ccc1F ZINC000736191356 599107961 /nfs/dbraw/zinc/10/79/61/599107961.db2.gz IGJUJHCUSWPTGB-VIFPVBQESA-N -1 3 361.377 3.264 20 0 FGADHM COC(=O)[C@@H](Sc1ccc(F)cc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000736902192 599111907 /nfs/dbraw/zinc/11/19/07/599111907.db2.gz RKZFIOXKABITLO-AWEZNQCLSA-N -1 3 362.361 3.151 20 0 FGADHM COC(=O)[C@@H](Sc1ccc(F)cc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000736902192 599111909 /nfs/dbraw/zinc/11/19/09/599111909.db2.gz RKZFIOXKABITLO-AWEZNQCLSA-N -1 3 362.361 3.151 20 0 FGADHM CCO[C@@H]1C[C@H](Nc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)C12CCC2 ZINC000736611996 599119547 /nfs/dbraw/zinc/11/95/47/599119547.db2.gz LFGUJYJXAYJPNG-NWDGAFQWSA-N -1 3 368.363 3.040 20 0 FGADHM CCO[C@@H]1C[C@H](Nc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)C12CCC2 ZINC000736611996 599119550 /nfs/dbraw/zinc/11/95/50/599119550.db2.gz LFGUJYJXAYJPNG-NWDGAFQWSA-N -1 3 368.363 3.040 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H]1SCCc2sccc21 ZINC000822216269 599149368 /nfs/dbraw/zinc/14/93/68/599149368.db2.gz KQMSKNNNTDDGKU-CQSZACIVSA-N -1 3 357.464 3.206 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1SCCc2sccc21 ZINC000822216269 599149369 /nfs/dbraw/zinc/14/93/69/599149369.db2.gz KQMSKNNNTDDGKU-CQSZACIVSA-N -1 3 357.464 3.206 20 0 FGADHM CCN(C(=S)NC(C1CC1)C1CC1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736508064 599158082 /nfs/dbraw/zinc/15/80/82/599158082.db2.gz JDKWRXKBJBUWTO-GFCCVEGCSA-N -1 3 370.526 3.313 20 0 FGADHM CCN(C(=S)NC(C1CC1)C1CC1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736508064 599158083 /nfs/dbraw/zinc/15/80/83/599158083.db2.gz JDKWRXKBJBUWTO-GFCCVEGCSA-N -1 3 370.526 3.313 20 0 FGADHM Cc1ccc(CCNC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000737337279 599158957 /nfs/dbraw/zinc/15/89/57/599158957.db2.gz KTNCBTCMMPDDJU-UHFFFAOYSA-N -1 3 372.885 3.358 20 0 FGADHM Cc1ccc(CCNC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000737337279 599158958 /nfs/dbraw/zinc/15/89/58/599158958.db2.gz KTNCBTCMMPDDJU-UHFFFAOYSA-N -1 3 372.885 3.358 20 0 FGADHM CCC(C)(C)NC(=O)[C@@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(C)C ZINC000736314741 599166296 /nfs/dbraw/zinc/16/62/96/599166296.db2.gz NYOOVKPVTQUENY-AWEZNQCLSA-N -1 3 365.478 3.427 20 0 FGADHM CCC(C)(C)NC(=O)[C@@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(C)C ZINC000736314741 599166299 /nfs/dbraw/zinc/16/62/99/599166299.db2.gz NYOOVKPVTQUENY-AWEZNQCLSA-N -1 3 365.478 3.427 20 0 FGADHM CC[C@H](Cc1ccc(Cl)cc1)NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736352292 599166906 /nfs/dbraw/zinc/16/69/06/599166906.db2.gz KJWVAWYRIUEXPL-MRXNPFEDSA-N -1 3 355.829 3.271 20 0 FGADHM CC[C@H](Cc1ccc(Cl)cc1)NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736352292 599166909 /nfs/dbraw/zinc/16/69/09/599166909.db2.gz KJWVAWYRIUEXPL-MRXNPFEDSA-N -1 3 355.829 3.271 20 0 FGADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)C1(c2ccccc2)CCCC1 ZINC000823235844 599167043 /nfs/dbraw/zinc/16/70/43/599167043.db2.gz YVGRHRRDBZARSG-UHFFFAOYSA-N -1 3 365.412 3.134 20 0 FGADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)C1(c2ccccc2)CCCC1 ZINC000823235844 599167044 /nfs/dbraw/zinc/16/70/44/599167044.db2.gz YVGRHRRDBZARSG-UHFFFAOYSA-N -1 3 365.412 3.134 20 0 FGADHM CC(C)Cc1ccc(CC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000820108524 599167873 /nfs/dbraw/zinc/16/78/73/599167873.db2.gz LWUSGXGBWJJJCB-UHFFFAOYSA-N -1 3 367.428 3.063 20 0 FGADHM CC(C)Cc1ccc(CC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000820108524 599167874 /nfs/dbraw/zinc/16/78/74/599167874.db2.gz LWUSGXGBWJJJCB-UHFFFAOYSA-N -1 3 367.428 3.063 20 0 FGADHM CC(C)(C)c1ccc([C@H](O)CNc2ncc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000735651675 599170871 /nfs/dbraw/zinc/17/08/71/599170871.db2.gz VHDQYYFHKRRZQG-OAHLLOKOSA-N -1 3 372.860 3.358 20 0 FGADHM CC(C)(C)c1ccc([C@H](O)CNc2ncc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000735651675 599170872 /nfs/dbraw/zinc/17/08/72/599170872.db2.gz VHDQYYFHKRRZQG-OAHLLOKOSA-N -1 3 372.860 3.358 20 0 FGADHM CCCCc1ccc(CC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000821077561 599171203 /nfs/dbraw/zinc/17/12/03/599171203.db2.gz LRATWNLHHYNLRG-UHFFFAOYSA-N -1 3 367.428 3.207 20 0 FGADHM CCCCc1ccc(CC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000821077561 599171206 /nfs/dbraw/zinc/17/12/06/599171206.db2.gz LRATWNLHHYNLRG-UHFFFAOYSA-N -1 3 367.428 3.207 20 0 FGADHM FC(F)(F)c1cc(N2CCc3ccccc3CC2)ccc1-c1nnn[n-]1 ZINC000737634171 599171436 /nfs/dbraw/zinc/17/14/36/599171436.db2.gz YUQYDQGCJWBNRI-UHFFFAOYSA-N -1 3 359.355 3.491 20 0 FGADHM FC(F)(F)c1cc(N2CCc3ccccc3CC2)ccc1-c1nn[n-]n1 ZINC000737634171 599171437 /nfs/dbraw/zinc/17/14/37/599171437.db2.gz YUQYDQGCJWBNRI-UHFFFAOYSA-N -1 3 359.355 3.491 20 0 FGADHM C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820668829 599190047 /nfs/dbraw/zinc/19/00/47/599190047.db2.gz XDAPBVINVPFSKS-FZKQIMNGSA-N -1 3 365.412 3.158 20 0 FGADHM COCCC(=O)N(Cc1ccccc1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000736976690 599189214 /nfs/dbraw/zinc/18/92/14/599189214.db2.gz ORLVBRBQLDYVNQ-UHFFFAOYSA-N -1 3 371.828 3.090 20 0 FGADHM COCCC(=O)N(Cc1ccccc1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000736976690 599189217 /nfs/dbraw/zinc/18/92/17/599189217.db2.gz ORLVBRBQLDYVNQ-UHFFFAOYSA-N -1 3 371.828 3.090 20 0 FGADHM C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820668829 599190049 /nfs/dbraw/zinc/19/00/49/599190049.db2.gz XDAPBVINVPFSKS-FZKQIMNGSA-N -1 3 365.412 3.158 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000738229979 599186337 /nfs/dbraw/zinc/18/63/37/599186337.db2.gz CLWBZLMJCMGEDJ-QWHCGFSZSA-N -1 3 374.322 3.131 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000738229979 599186339 /nfs/dbraw/zinc/18/63/39/599186339.db2.gz CLWBZLMJCMGEDJ-QWHCGFSZSA-N -1 3 374.322 3.131 20 0 FGADHM Cc1ccccc1[C@H](C)CC(=O)OCCOc1cccc(-c2nnn[n-]2)c1 ZINC000737421835 599186628 /nfs/dbraw/zinc/18/66/28/599186628.db2.gz MPIJMHHQTIQTIQ-OAHLLOKOSA-N -1 3 366.421 3.291 20 0 FGADHM Cc1ccccc1[C@H](C)CC(=O)OCCOc1cccc(-c2nn[n-]n2)c1 ZINC000737421835 599186630 /nfs/dbraw/zinc/18/66/30/599186630.db2.gz MPIJMHHQTIQTIQ-OAHLLOKOSA-N -1 3 366.421 3.291 20 0 FGADHM COCCN(C(=O)C[C@H](C)C1CCCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736989055 599204858 /nfs/dbraw/zinc/20/48/58/599204858.db2.gz QBWHFHRHDUPZOH-HNNXBMFYSA-N -1 3 371.485 3.453 20 0 FGADHM COCCN(C(=O)C[C@H](C)C1CCCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736989055 599204859 /nfs/dbraw/zinc/20/48/59/599204859.db2.gz QBWHFHRHDUPZOH-HNNXBMFYSA-N -1 3 371.485 3.453 20 0 FGADHM CC[C@H](CC1CCCCC1)C(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000736350404 599217131 /nfs/dbraw/zinc/21/71/31/599217131.db2.gz NBFSHHWNXXBXGG-MRXNPFEDSA-N -1 3 371.485 3.358 20 0 FGADHM O=C(Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1)c1ccc[nH]1 ZINC000823355473 599219102 /nfs/dbraw/zinc/21/91/02/599219102.db2.gz CYAJYCXYWKCMQH-UHFFFAOYSA-N -1 3 364.340 3.379 20 0 FGADHM O=C(Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1)c1ccc[nH]1 ZINC000823355473 599219105 /nfs/dbraw/zinc/21/91/05/599219105.db2.gz CYAJYCXYWKCMQH-UHFFFAOYSA-N -1 3 364.340 3.379 20 0 FGADHM CCC[C@@]1(C)CCCN(C(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821028061 599220426 /nfs/dbraw/zinc/22/04/26/599220426.db2.gz SLOXBGLOWNCBJH-LIRRHRJNSA-N -1 3 357.458 3.063 20 0 FGADHM CC(C)Oc1ccc(OC(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735914313 599223528 /nfs/dbraw/zinc/22/35/28/599223528.db2.gz WBRODKCLCOSOEM-ZDUSSCGKSA-N -1 3 368.393 3.027 20 0 FGADHM CC(C)(CNC(=O)C=Cc1ccccc1-c1nnn[n-]1)Cc1ccccc1 ZINC000735665640 599225512 /nfs/dbraw/zinc/22/55/12/599225512.db2.gz IQZYYMFQOUNLLR-SEYXRHQNSA-N -1 3 361.449 3.265 20 0 FGADHM CC(C)(CNC(=O)C=Cc1ccccc1-c1nn[n-]n1)Cc1ccccc1 ZINC000735665640 599225516 /nfs/dbraw/zinc/22/55/16/599225516.db2.gz IQZYYMFQOUNLLR-SEYXRHQNSA-N -1 3 361.449 3.265 20 0 FGADHM CCNC(=S)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000821293963 599230952 /nfs/dbraw/zinc/23/09/52/599230952.db2.gz OGAUXCJAMJETSB-UHFFFAOYSA-N -1 3 358.402 3.104 20 0 FGADHM CCNC(=S)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000821293963 599230954 /nfs/dbraw/zinc/23/09/54/599230954.db2.gz OGAUXCJAMJETSB-UHFFFAOYSA-N -1 3 358.402 3.104 20 0 FGADHM Fc1cccc(CNCc2ccc(-c3nn[n-]n3)cc2)c1Br ZINC000822786109 607265205 /nfs/dbraw/zinc/26/52/05/607265205.db2.gz DLUDUGYQNMIJIV-UHFFFAOYSA-N -1 3 362.206 3.058 20 0 FGADHM C[C@@H](NC(=S)N[C@@H](C)c1cccs1)c1cccc(-c2nnn[n-]2)c1 ZINC000820403953 599237323 /nfs/dbraw/zinc/23/73/23/599237323.db2.gz NLRWGYBFTDKHMB-MNOVXSKESA-N -1 3 358.496 3.215 20 0 FGADHM C[C@@H](NC(=S)N[C@@H](C)c1cccs1)c1cccc(-c2nn[n-]n2)c1 ZINC000820403953 599237325 /nfs/dbraw/zinc/23/73/25/599237325.db2.gz NLRWGYBFTDKHMB-MNOVXSKESA-N -1 3 358.496 3.215 20 0 FGADHM Cc1c(NC(=O)Cc2csc(C(C)(C)C)n2)cccc1-c1nnn[n-]1 ZINC000822076830 607268075 /nfs/dbraw/zinc/26/80/75/607268075.db2.gz SMBVVHCYHUCARR-UHFFFAOYSA-N -1 3 356.455 3.110 20 0 FGADHM Cc1c(NC(=O)Cc2csc(C(C)(C)C)n2)cccc1-c1nn[n-]n1 ZINC000822076830 607268076 /nfs/dbraw/zinc/26/80/76/607268076.db2.gz SMBVVHCYHUCARR-UHFFFAOYSA-N -1 3 356.455 3.110 20 0 FGADHM O=C(NCC1Cc2ccccc2C1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000738053840 599242576 /nfs/dbraw/zinc/24/25/76/599242576.db2.gz ZJCLFWGOSQORTM-UHFFFAOYSA-N -1 3 368.828 3.057 20 0 FGADHM O=C(NCC1Cc2ccccc2C1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000738053840 599242577 /nfs/dbraw/zinc/24/25/77/599242577.db2.gz ZJCLFWGOSQORTM-UHFFFAOYSA-N -1 3 368.828 3.057 20 0 FGADHM Cc1sc(NC(=O)C[C@@H]2CCOc3ccccc32)c(-c2nnn[n-]2)c1C ZINC000737561596 599246050 /nfs/dbraw/zinc/24/60/50/599246050.db2.gz JAVCDHLFBUHYGY-LBPRGKRZSA-N -1 3 369.450 3.440 20 0 FGADHM Cc1sc(NC(=O)C[C@@H]2CCOc3ccccc32)c(-c2nn[n-]n2)c1C ZINC000737561596 599246053 /nfs/dbraw/zinc/24/60/53/599246053.db2.gz JAVCDHLFBUHYGY-LBPRGKRZSA-N -1 3 369.450 3.440 20 0 FGADHM CC(C)c1cccc(NC(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000820197986 599249270 /nfs/dbraw/zinc/24/92/70/599249270.db2.gz QAMDOIGBHQCJPV-UHFFFAOYSA-N -1 3 366.425 3.191 20 0 FGADHM CCC1(CC)[C@H](OC)C[C@@H]1N(C)C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000820957408 607279370 /nfs/dbraw/zinc/27/93/70/607279370.db2.gz OTIWSKYURCHPLX-JKSUJKDBSA-N -1 3 372.473 3.233 20 0 FGADHM CCC1(CC)[C@H](OC)C[C@@H]1N(C)C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000820957408 607279371 /nfs/dbraw/zinc/27/93/71/607279371.db2.gz OTIWSKYURCHPLX-JKSUJKDBSA-N -1 3 372.473 3.233 20 0 FGADHM CC[C@@H](NC(=O)Nc1cccc(-c2nnn[n-]2)c1C)c1ccc(OC)cc1 ZINC000820920131 607280922 /nfs/dbraw/zinc/28/09/22/607280922.db2.gz LMYUKWGHUXTFGJ-MRXNPFEDSA-N -1 3 366.425 3.457 20 0 FGADHM CC[C@@H](NC(=O)Nc1cccc(-c2nn[n-]n2)c1C)c1ccc(OC)cc1 ZINC000820920131 607280923 /nfs/dbraw/zinc/28/09/23/607280923.db2.gz LMYUKWGHUXTFGJ-MRXNPFEDSA-N -1 3 366.425 3.457 20 0 FGADHM CCO[C@@H](CCNC(=O)Nc1cccc(-c2nnn[n-]2)c1C)C1CCCC1 ZINC000821351210 607287788 /nfs/dbraw/zinc/28/77/88/607287788.db2.gz NGPIHYOYPRWXME-KRWDZBQOSA-N -1 3 372.473 3.282 20 0 FGADHM CCO[C@@H](CCNC(=O)Nc1cccc(-c2nn[n-]n2)c1C)C1CCCC1 ZINC000821351210 607287789 /nfs/dbraw/zinc/28/77/89/607287789.db2.gz NGPIHYOYPRWXME-KRWDZBQOSA-N -1 3 372.473 3.282 20 0 FGADHM Cc1ccccc1C1(CNC(=O)Nc2cccc(-c3nnn[n-]3)c2C)CC1 ZINC000822352156 607287961 /nfs/dbraw/zinc/28/79/61/607287961.db2.gz VLLDOOJHGATIKM-UHFFFAOYSA-N -1 3 362.437 3.337 20 0 FGADHM Cc1ccccc1C1(CNC(=O)Nc2cccc(-c3nn[n-]n3)c2C)CC1 ZINC000822352156 607287962 /nfs/dbraw/zinc/28/79/62/607287962.db2.gz VLLDOOJHGATIKM-UHFFFAOYSA-N -1 3 362.437 3.337 20 0 FGADHM CCc1ccc([C@@H](CNC(=O)Nc2ccccc2CC(=O)[O-])N(C)C)cc1 ZINC000818335885 597341738 /nfs/dbraw/zinc/34/17/38/597341738.db2.gz WXHRYGJXSBTQTF-LJQANCHMSA-N -1 3 369.465 3.301 20 0 FGADHM Cc1ccccc1O[C@@H](C)CNC(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000822361985 607291809 /nfs/dbraw/zinc/29/18/09/607291809.db2.gz MFFWHBCXVJXIPU-ZDUSSCGKSA-N -1 3 366.425 3.073 20 0 FGADHM Cc1ccccc1O[C@@H](C)CNC(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000822361985 607291810 /nfs/dbraw/zinc/29/18/10/607291810.db2.gz MFFWHBCXVJXIPU-ZDUSSCGKSA-N -1 3 366.425 3.073 20 0 FGADHM C[C@H](NC(=O)N[C@@H]1C[C@@H]1C1CCCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820357750 599259367 /nfs/dbraw/zinc/25/93/67/599259367.db2.gz JQTCJTDWPWEBBI-JCURWCKSSA-N -1 3 354.458 3.196 20 0 FGADHM C[C@H](NC(=O)N[C@@H]1C[C@@H]1C1CCCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820357750 599259370 /nfs/dbraw/zinc/25/93/70/599259370.db2.gz JQTCJTDWPWEBBI-JCURWCKSSA-N -1 3 354.458 3.196 20 0 FGADHM COCCOc1c(Cl)cccc1NCc1cc(-c2nnn[n-]2)cs1 ZINC000821692867 607314491 /nfs/dbraw/zinc/31/44/91/607314491.db2.gz GNPVFJRNFFCLIL-UHFFFAOYSA-N -1 3 365.846 3.219 20 0 FGADHM COCCOc1c(Cl)cccc1NCc1cc(-c2nn[n-]n2)cs1 ZINC000821692867 607314492 /nfs/dbraw/zinc/31/44/92/607314492.db2.gz GNPVFJRNFFCLIL-UHFFFAOYSA-N -1 3 365.846 3.219 20 0 FGADHM Clc1cc(NCc2cc(-c3nnn[n-]3)cs2)ccc1-n1cccn1 ZINC000822568166 607316195 /nfs/dbraw/zinc/31/61/95/607316195.db2.gz MWAFNUACVDPBHM-UHFFFAOYSA-N -1 3 357.830 3.379 20 0 FGADHM Clc1cc(NCc2cc(-c3nn[n-]n3)cs2)ccc1-n1cccn1 ZINC000822568166 607316196 /nfs/dbraw/zinc/31/61/96/607316196.db2.gz MWAFNUACVDPBHM-UHFFFAOYSA-N -1 3 357.830 3.379 20 0 FGADHM c1ccc2c(c1)nc(-c1nnn[n-]1)cc2NCc1ccc(N2CCCC2)nc1 ZINC000738436878 599268641 /nfs/dbraw/zinc/26/86/41/599268641.db2.gz KRZAVJWFNGDUAB-UHFFFAOYSA-N -1 3 372.436 3.022 20 0 FGADHM C[C@H](NC(=O)N[C@@H]1CSc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000736115417 599274966 /nfs/dbraw/zinc/27/49/66/599274966.db2.gz XTVBLELETVAYHK-XHDPSFHLSA-N -1 3 366.450 3.074 20 0 FGADHM C[C@H](NC(=O)N[C@@H]1CSc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000736115417 599274967 /nfs/dbraw/zinc/27/49/67/599274967.db2.gz XTVBLELETVAYHK-XHDPSFHLSA-N -1 3 366.450 3.074 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CCc1ccccc1 ZINC000736487517 599276664 /nfs/dbraw/zinc/27/66/64/599276664.db2.gz HFNPDZVFXLGQLO-UHFFFAOYSA-N -1 3 350.426 3.260 20 0 FGADHM C[C@@H](Sc1nncn1-c1ccccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000736191888 599286500 /nfs/dbraw/zinc/28/65/00/599286500.db2.gz JMJFBMNTUGMAAA-LLVKDONJSA-N -1 3 367.413 3.440 20 0 FGADHM C[C@@H](Sc1nncn1-c1ccccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000736191888 599286502 /nfs/dbraw/zinc/28/65/02/599286502.db2.gz JMJFBMNTUGMAAA-LLVKDONJSA-N -1 3 367.413 3.440 20 0 FGADHM Cc1sc(CCNc2ccc(-c3nnn[n-]3)nc2)nc1-c1ccccc1 ZINC000822554203 607328907 /nfs/dbraw/zinc/32/89/07/607328907.db2.gz WOPILKMIMIXJAJ-UHFFFAOYSA-N -1 3 363.450 3.348 20 0 FGADHM Cc1sc(CCNc2ccc(-c3nn[n-]n3)nc2)nc1-c1ccccc1 ZINC000822554203 607328908 /nfs/dbraw/zinc/32/89/08/607328908.db2.gz WOPILKMIMIXJAJ-UHFFFAOYSA-N -1 3 363.450 3.348 20 0 FGADHM C[C@H](CNc1ccc(C(F)(F)F)c(-c2nnn[n-]2)c1)CC1(C)OCCO1 ZINC000820280482 607346314 /nfs/dbraw/zinc/34/63/14/607346314.db2.gz HLLVGBOBUPVHLV-JTQLQIEISA-N -1 3 371.363 3.087 20 0 FGADHM C[C@H](CNc1ccc(C(F)(F)F)c(-c2nn[n-]n2)c1)CC1(C)OCCO1 ZINC000820280482 607346316 /nfs/dbraw/zinc/34/63/16/607346316.db2.gz HLLVGBOBUPVHLV-JTQLQIEISA-N -1 3 371.363 3.087 20 0 FGADHM O=C([O-])c1cccc(CNCc2ccc(NC(=O)c3ccncc3)cc2)c1 ZINC000821553063 598203484 /nfs/dbraw/zinc/20/34/84/598203484.db2.gz XVEQBDKRKUXNJC-UHFFFAOYSA-N -1 3 361.401 3.322 20 0 FGADHM CC[C@H]1Oc2cc([C@H](C)NCc3cccc(C(=O)[O-])c3)ccc2NC1=O ZINC000263421877 598204281 /nfs/dbraw/zinc/20/42/81/598204281.db2.gz PDZVVBDUFIKMAJ-YVEFUNNKSA-N -1 3 354.406 3.345 20 0 FGADHM Cn1ccnc1[C@H](Nc1ccc(-c2nn[n-]n2)cc1F)c1ccc(F)cc1 ZINC000737616957 598236205 /nfs/dbraw/zinc/23/62/05/598236205.db2.gz XIQFGHSEZOQQEP-MRXNPFEDSA-N -1 3 367.363 3.080 20 0 FGADHM Fc1ccc(N2CC[C@H](CNc3ccc(-c4nn[n-]n4)cc3F)C2)cc1 ZINC000737658785 598242172 /nfs/dbraw/zinc/24/21/72/598242172.db2.gz IJFMIGKQVCTPBH-GFCCVEGCSA-N -1 3 356.380 3.083 20 0 FGADHM COc1ccc(CNc2ccccc2-c2nnn[n-]2)cc1Br ZINC000737096808 598248254 /nfs/dbraw/zinc/24/82/54/598248254.db2.gz ZDWMEFADAYQTQM-UHFFFAOYSA-N -1 3 360.215 3.250 20 0 FGADHM COc1ccc(CNc2ccccc2-c2nn[n-]n2)cc1Br ZINC000737096808 598248255 /nfs/dbraw/zinc/24/82/55/598248255.db2.gz ZDWMEFADAYQTQM-UHFFFAOYSA-N -1 3 360.215 3.250 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N(CC)CCC(F)(F)F ZINC000736637555 598263718 /nfs/dbraw/zinc/26/37/18/598263718.db2.gz SCTXGSOUBDUDNZ-UHFFFAOYSA-N -1 3 372.351 3.072 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N(CC)CCC(F)(F)F ZINC000736637555 598263720 /nfs/dbraw/zinc/26/37/20/598263720.db2.gz SCTXGSOUBDUDNZ-UHFFFAOYSA-N -1 3 372.351 3.072 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)NC1(c2ccc(F)cc2)CC1 ZINC000738150624 598264552 /nfs/dbraw/zinc/26/45/52/598264552.db2.gz AXSLRVSPZMSKRA-UHFFFAOYSA-N -1 3 372.791 3.470 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)NC1(c2ccc(F)cc2)CC1 ZINC000738150624 598264553 /nfs/dbraw/zinc/26/45/53/598264553.db2.gz AXSLRVSPZMSKRA-UHFFFAOYSA-N -1 3 372.791 3.470 20 0 FGADHM O[C@@H](CNc1ccc(C(F)(F)F)c(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC000823690839 607347095 /nfs/dbraw/zinc/34/70/95/607347095.db2.gz VXRYGDZDAIGAHN-AWEZNQCLSA-N -1 3 367.306 3.170 20 0 FGADHM O[C@@H](CNc1ccc(C(F)(F)F)c(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC000823690839 607347097 /nfs/dbraw/zinc/34/70/97/607347097.db2.gz VXRYGDZDAIGAHN-AWEZNQCLSA-N -1 3 367.306 3.170 20 0 FGADHM CN(CC1CCCCC1)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736795016 598278090 /nfs/dbraw/zinc/27/80/90/598278090.db2.gz VCROEKSNKFMVME-UHFFFAOYSA-N -1 3 359.478 3.467 20 0 FGADHM CN(CC1CCCCC1)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736795016 598278091 /nfs/dbraw/zinc/27/80/91/598278091.db2.gz VCROEKSNKFMVME-UHFFFAOYSA-N -1 3 359.478 3.467 20 0 FGADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCC2)c1cnc(C2CC2)s1 ZINC000738210333 598278506 /nfs/dbraw/zinc/27/85/06/598278506.db2.gz OYZSJNJZECIZMY-UHFFFAOYSA-N -1 3 372.479 3.393 20 0 FGADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCC2)c1cnc(C2CC2)s1 ZINC000738210333 598278507 /nfs/dbraw/zinc/27/85/07/598278507.db2.gz OYZSJNJZECIZMY-UHFFFAOYSA-N -1 3 372.479 3.393 20 0 FGADHM COc1ccc(C2(C(=O)OCc3ccc(-c4nnn[n-]4)cc3)CCC2)cc1 ZINC000737076628 598289762 /nfs/dbraw/zinc/28/97/62/598289762.db2.gz JZEHFRXFXZGWFF-UHFFFAOYSA-N -1 3 364.405 3.040 20 0 FGADHM COc1ccc(C2(C(=O)OCc3ccc(-c4nn[n-]n4)cc3)CCC2)cc1 ZINC000737076628 598289763 /nfs/dbraw/zinc/28/97/63/598289763.db2.gz JZEHFRXFXZGWFF-UHFFFAOYSA-N -1 3 364.405 3.040 20 0 FGADHM CC(C)Cc1ccc(CS(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735849977 598289874 /nfs/dbraw/zinc/28/98/74/598289874.db2.gz MRTCOFDGMMLMLB-UHFFFAOYSA-N -1 3 370.478 3.180 20 0 FGADHM CC(C)Cc1ccc(CS(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735849977 598289875 /nfs/dbraw/zinc/28/98/75/598289875.db2.gz MRTCOFDGMMLMLB-UHFFFAOYSA-N -1 3 370.478 3.180 20 0 FGADHM CSCCNC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737180625 598302234 /nfs/dbraw/zinc/30/22/34/598302234.db2.gz DOTFSPAQPCXZAL-UHFFFAOYSA-N -1 3 370.438 3.144 20 0 FGADHM CSCCNC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737180625 598302235 /nfs/dbraw/zinc/30/22/35/598302235.db2.gz DOTFSPAQPCXZAL-UHFFFAOYSA-N -1 3 370.438 3.144 20 0 FGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)c1cc(Cl)cc(Cl)c1 ZINC000738101405 598306806 /nfs/dbraw/zinc/30/68/06/598306806.db2.gz WZJCCARVXVIJCS-UHFFFAOYSA-N -1 3 366.183 3.243 20 0 FGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)c1cc(Cl)cc(Cl)c1 ZINC000738101405 598306807 /nfs/dbraw/zinc/30/68/07/598306807.db2.gz WZJCCARVXVIJCS-UHFFFAOYSA-N -1 3 366.183 3.243 20 0 FGADHM Fc1cc(-c2nnn[n-]2)ccc1CSCc1cccc2c1OCCO2 ZINC000737640126 598314975 /nfs/dbraw/zinc/31/49/75/598314975.db2.gz KKYKDOCGMYCVBU-UHFFFAOYSA-N -1 3 358.398 3.210 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1CSCc1cccc2c1OCCO2 ZINC000737640126 598314977 /nfs/dbraw/zinc/31/49/77/598314977.db2.gz KKYKDOCGMYCVBU-UHFFFAOYSA-N -1 3 358.398 3.210 20 0 FGADHM CCCCCCNC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000736445978 598325921 /nfs/dbraw/zinc/32/59/21/598325921.db2.gz FURXAGNWQQKWKQ-UHFFFAOYSA-N -1 3 369.425 3.349 20 0 FGADHM CCCCCCNC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000736445978 598325923 /nfs/dbraw/zinc/32/59/23/598325923.db2.gz FURXAGNWQQKWKQ-UHFFFAOYSA-N -1 3 369.425 3.349 20 0 FGADHM CN(Cc1ccccc1Cl)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000736828726 598328983 /nfs/dbraw/zinc/32/89/83/598328983.db2.gz RDILFYGUBAUVPD-UHFFFAOYSA-N -1 3 374.807 3.001 20 0 FGADHM CN(Cc1ccccc1Cl)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000736828726 598328985 /nfs/dbraw/zinc/32/89/85/598328985.db2.gz RDILFYGUBAUVPD-UHFFFAOYSA-N -1 3 374.807 3.001 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N1Cc2ccccc2C(F)(F)C1 ZINC000822928762 607351367 /nfs/dbraw/zinc/35/13/67/607351367.db2.gz MBRJTVVQDMPJLV-KTKRTIGZSA-N -1 3 367.359 3.014 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N1Cc2ccccc2C(F)(F)C1 ZINC000822928762 607351369 /nfs/dbraw/zinc/35/13/69/607351369.db2.gz MBRJTVVQDMPJLV-KTKRTIGZSA-N -1 3 367.359 3.014 20 0 FGADHM CCOc1ccc([C@H]2CCCN2C(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821418083 607354044 /nfs/dbraw/zinc/35/40/44/607354044.db2.gz VTOPJANUXRZBEA-GOSISDBHSA-N -1 3 363.421 3.243 20 0 FGADHM CCOc1ccc([C@H]2CCCN2C(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821418083 607354045 /nfs/dbraw/zinc/35/40/45/607354045.db2.gz VTOPJANUXRZBEA-GOSISDBHSA-N -1 3 363.421 3.243 20 0 FGADHM O=C(OCC1CCCC1)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000738217941 598361490 /nfs/dbraw/zinc/36/14/90/598361490.db2.gz AOZINLRSQIPQEC-UHFFFAOYSA-N -1 3 368.393 3.386 20 0 FGADHM O=C(OCC1CCCC1)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000738217941 598361491 /nfs/dbraw/zinc/36/14/91/598361491.db2.gz AOZINLRSQIPQEC-UHFFFAOYSA-N -1 3 368.393 3.386 20 0 FGADHM CCC(C)(C)C(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000736315436 598365166 /nfs/dbraw/zinc/36/51/66/598365166.db2.gz YBNYDRNPSLJUIF-UHFFFAOYSA-N -1 3 356.455 3.289 20 0 FGADHM CCC(C)(C)C(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000736315436 598365168 /nfs/dbraw/zinc/36/51/68/598365168.db2.gz YBNYDRNPSLJUIF-UHFFFAOYSA-N -1 3 356.455 3.289 20 0 FGADHM Cc1cc(C(F)(F)F)c(-c2nnn[n-]2)c(SCCc2ccccn2)n1 ZINC000737244532 598375608 /nfs/dbraw/zinc/37/56/08/598375608.db2.gz HEUYHRWNZWZDKV-UHFFFAOYSA-N -1 3 366.372 3.319 20 0 FGADHM CC(C=C1N=C(c2ccc(-c3nnn[n-]3)cc2)OC1=O)=Cc1ccccc1 ZINC000735449033 598378268 /nfs/dbraw/zinc/37/82/68/598378268.db2.gz UQWRMRKRCIARRP-YMGXUNRSSA-N -1 3 357.373 3.158 20 0 FGADHM CC(C=C1N=C(c2ccc(-c3nn[n-]n3)cc2)OC1=O)=Cc1ccccc1 ZINC000735449033 598378269 /nfs/dbraw/zinc/37/82/69/598378269.db2.gz UQWRMRKRCIARRP-YMGXUNRSSA-N -1 3 357.373 3.158 20 0 FGADHM O=C(NCC1(c2ccc(Cl)cc2)CCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738037935 598385660 /nfs/dbraw/zinc/38/56/60/598385660.db2.gz GMZMJTRLJJHWCG-UHFFFAOYSA-N -1 3 367.840 3.372 20 0 FGADHM O=C(NCC1(c2ccc(Cl)cc2)CCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738037935 598385661 /nfs/dbraw/zinc/38/56/61/598385661.db2.gz GMZMJTRLJJHWCG-UHFFFAOYSA-N -1 3 367.840 3.372 20 0 FGADHM CN(CCOc1ccc(Cl)cc1)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000736801316 598386269 /nfs/dbraw/zinc/38/62/69/598386269.db2.gz HTYIOUGMTJCKJP-UHFFFAOYSA-N -1 3 365.224 3.084 20 0 FGADHM CN(CCOc1ccc(Cl)cc1)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000736801316 598386270 /nfs/dbraw/zinc/38/62/70/598386270.db2.gz HTYIOUGMTJCKJP-UHFFFAOYSA-N -1 3 365.224 3.084 20 0 FGADHM COc1ccc([C@H]2CCCN2c2ncc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000737073856 598386593 /nfs/dbraw/zinc/38/65/93/598386593.db2.gz CMSJAAYHDMKPHD-OAHLLOKOSA-N -1 3 356.817 3.265 20 0 FGADHM COc1ccc([C@H]2CCCN2c2ncc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000737073856 598386594 /nfs/dbraw/zinc/38/65/94/598386594.db2.gz CMSJAAYHDMKPHD-OAHLLOKOSA-N -1 3 356.817 3.265 20 0 FGADHM COc1ccc2oc([C@@H](C)Nc3ccc(-c4nnn[n-]4)cn3)c(C)c2c1 ZINC000737120745 598388392 /nfs/dbraw/zinc/38/83/92/598388392.db2.gz UEFXGTYJVPXFNO-LLVKDONJSA-N -1 3 350.382 3.498 20 0 FGADHM COc1ccc2oc([C@@H](C)Nc3ccc(-c4nn[n-]n4)cn3)c(C)c2c1 ZINC000737120745 598388394 /nfs/dbraw/zinc/38/83/94/598388394.db2.gz UEFXGTYJVPXFNO-LLVKDONJSA-N -1 3 350.382 3.498 20 0 FGADHM COc1ccc(CC[C@@H](C)Nc2ncc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000737089640 598392134 /nfs/dbraw/zinc/39/21/34/598392134.db2.gz SSRMEYSTIVSNCD-LLVKDONJSA-N -1 3 358.833 3.357 20 0 FGADHM COc1ccc(CC[C@@H](C)Nc2ncc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000737089640 598392136 /nfs/dbraw/zinc/39/21/36/598392136.db2.gz SSRMEYSTIVSNCD-LLVKDONJSA-N -1 3 358.833 3.357 20 0 FGADHM Clc1cc(-c2nnn[n-]2)cnc1NCCc1ccc2ccccc2n1 ZINC000737558642 598392372 /nfs/dbraw/zinc/39/23/72/598392372.db2.gz PMKLRPCWPDIIKS-UHFFFAOYSA-N -1 3 351.801 3.118 20 0 FGADHM Clc1cc(-c2nn[n-]n2)cnc1NCCc1ccc2ccccc2n1 ZINC000737558642 598392373 /nfs/dbraw/zinc/39/23/73/598392373.db2.gz PMKLRPCWPDIIKS-UHFFFAOYSA-N -1 3 351.801 3.118 20 0 FGADHM COc1cccc([C@H]2C[C@@H]2C(=O)Nc2sc(C)c(C)c2-c2nnn[n-]2)c1 ZINC000737129568 598394385 /nfs/dbraw/zinc/39/43/85/598394385.db2.gz LEFDDMDADNRMEP-KGLIPLIRSA-N -1 3 369.450 3.296 20 0 FGADHM COc1cccc([C@H]2C[C@@H]2C(=O)Nc2sc(C)c(C)c2-c2nn[n-]n2)c1 ZINC000737129568 598394386 /nfs/dbraw/zinc/39/43/86/598394386.db2.gz LEFDDMDADNRMEP-KGLIPLIRSA-N -1 3 369.450 3.296 20 0 FGADHM CO[C@@](C)(C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccccc1 ZINC000736957348 598394589 /nfs/dbraw/zinc/39/45/89/598394589.db2.gz QQIXDFHILKOLAH-QGZVFWFLSA-N -1 3 357.801 3.020 20 0 FGADHM CO[C@@](C)(C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccccc1 ZINC000736957348 598394590 /nfs/dbraw/zinc/39/45/90/598394590.db2.gz QQIXDFHILKOLAH-QGZVFWFLSA-N -1 3 357.801 3.020 20 0 FGADHM Cc1nc(C)c([C@H](C)N(C)C(=O)C=Cc2ccccc2-c2nnn[n-]2)s1 ZINC000737471487 598400605 /nfs/dbraw/zinc/40/06/05/598400605.db2.gz RKHUNVSRPGPOOK-VMPCVLLUSA-N -1 3 368.466 3.173 20 0 FGADHM Cc1nc(C)c([C@H](C)N(C)C(=O)C=Cc2ccccc2-c2nn[n-]n2)s1 ZINC000737471487 598400606 /nfs/dbraw/zinc/40/06/06/598400606.db2.gz RKHUNVSRPGPOOK-VMPCVLLUSA-N -1 3 368.466 3.173 20 0 FGADHM COC[C@H](NC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccccc1 ZINC000736981134 598426596 /nfs/dbraw/zinc/42/65/96/598426596.db2.gz YCRUBBXUACSJIO-HNNXBMFYSA-N -1 3 372.816 3.029 20 0 FGADHM COC[C@H](NC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccccc1 ZINC000736981134 598426597 /nfs/dbraw/zinc/42/65/97/598426597.db2.gz YCRUBBXUACSJIO-HNNXBMFYSA-N -1 3 372.816 3.029 20 0 FGADHM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)cn1)c1ccc(Cl)c(Cl)c1 ZINC000736116672 598437789 /nfs/dbraw/zinc/43/77/89/598437789.db2.gz CEJLBZUNDICGLL-QMMMGPOBSA-N -1 3 363.208 3.060 20 0 FGADHM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)cn1)c1ccc(Cl)c(Cl)c1 ZINC000736116672 598437792 /nfs/dbraw/zinc/43/77/92/598437792.db2.gz CEJLBZUNDICGLL-QMMMGPOBSA-N -1 3 363.208 3.060 20 0 FGADHM CC(C)Oc1ccc(F)cc1NC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000735915817 598445457 /nfs/dbraw/zinc/44/54/57/598445457.db2.gz SCIVEALYZIPWCN-UHFFFAOYSA-N -1 3 369.400 3.364 20 0 FGADHM CC(C)Oc1ccc(F)cc1NC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000735915817 598445459 /nfs/dbraw/zinc/44/54/59/598445459.db2.gz SCIVEALYZIPWCN-UHFFFAOYSA-N -1 3 369.400 3.364 20 0 FGADHM CC(C)Sc1ccc([C@H](C)NC(=O)c2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000735921004 598453888 /nfs/dbraw/zinc/45/38/88/598453888.db2.gz DZKZJGJYKKSLJQ-LBPRGKRZSA-N -1 3 368.466 3.253 20 0 FGADHM CC(C)Sc1ccc([C@H](C)NC(=O)c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000735921004 598453889 /nfs/dbraw/zinc/45/38/89/598453889.db2.gz DZKZJGJYKKSLJQ-LBPRGKRZSA-N -1 3 368.466 3.253 20 0 FGADHM CC[C@](C)(NC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000736314864 598454982 /nfs/dbraw/zinc/45/49/82/598454982.db2.gz ONRNNQXVJXXVOK-VLIAUNLRSA-N -1 3 365.437 3.076 20 0 FGADHM CC[C@](C)(NC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000736314864 598454984 /nfs/dbraw/zinc/45/49/84/598454984.db2.gz ONRNNQXVJXXVOK-VLIAUNLRSA-N -1 3 365.437 3.076 20 0 FGADHM CC[C@@](C)(NC(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000736314489 598455025 /nfs/dbraw/zinc/45/50/25/598455025.db2.gz KRMTULIFPXRDQK-LJQANCHMSA-N -1 3 367.478 3.400 20 0 FGADHM CC[C@@](C)(NC(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000736314489 598455026 /nfs/dbraw/zinc/45/50/26/598455026.db2.gz KRMTULIFPXRDQK-LJQANCHMSA-N -1 3 367.478 3.400 20 0 FGADHM CCOC(=O)Nc1ccc(OCc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000736604260 598469613 /nfs/dbraw/zinc/46/96/13/598469613.db2.gz VCFZILJPLZYGMY-UHFFFAOYSA-N -1 3 357.345 3.153 20 0 FGADHM CCOC(=O)Nc1ccc(OCc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000736604260 598469615 /nfs/dbraw/zinc/46/96/15/598469615.db2.gz VCFZILJPLZYGMY-UHFFFAOYSA-N -1 3 357.345 3.153 20 0 FGADHM O=C(NCCCc1c[nH]c2ccccc12)Nc1cccc(-c2nnn[n-]2)c1 ZINC000738074380 598472626 /nfs/dbraw/zinc/47/26/26/598472626.db2.gz BJAQIPJLSBPFGX-UHFFFAOYSA-N -1 3 361.409 3.102 20 0 FGADHM O=C(NCCCc1c[nH]c2ccccc12)Nc1cccc(-c2nn[n-]n2)c1 ZINC000738074380 598472628 /nfs/dbraw/zinc/47/26/28/598472628.db2.gz BJAQIPJLSBPFGX-UHFFFAOYSA-N -1 3 361.409 3.102 20 0 FGADHM CC(C)CC[C@H](C)NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000735797723 598475656 /nfs/dbraw/zinc/47/56/56/598475656.db2.gz SEDUPMDDXKDYAM-AWEZNQCLSA-N -1 3 356.474 3.365 20 0 FGADHM CC(C)CC[C@H](C)NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000735797723 598475657 /nfs/dbraw/zinc/47/56/57/598475657.db2.gz SEDUPMDDXKDYAM-AWEZNQCLSA-N -1 3 356.474 3.365 20 0 FGADHM COc1cc(Cl)ccc1CNC(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000737047640 598484426 /nfs/dbraw/zinc/48/44/26/598484426.db2.gz NZUQRLVOIQLXGG-UHFFFAOYSA-N -1 3 372.816 3.159 20 0 FGADHM COc1cc(Cl)ccc1CNC(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000737047640 598484428 /nfs/dbraw/zinc/48/44/28/598484428.db2.gz NZUQRLVOIQLXGG-UHFFFAOYSA-N -1 3 372.816 3.159 20 0 FGADHM C[C@@H](OCc1ccccc1)C(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000736165465 598484871 /nfs/dbraw/zinc/48/48/71/598484871.db2.gz VDYIWPZNJWNVNT-UONOGXRCSA-N -1 3 352.394 3.076 20 0 FGADHM C[C@@H](OCc1ccccc1)C(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000736165465 598484874 /nfs/dbraw/zinc/48/48/74/598484874.db2.gz VDYIWPZNJWNVNT-UONOGXRCSA-N -1 3 352.394 3.076 20 0 FGADHM C[C@@H](OC(=O)c1cnc(Cl)c(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000736162058 598486328 /nfs/dbraw/zinc/48/63/28/598486328.db2.gz FYILLHORRGVNQV-MRVPVSSYSA-N -1 3 364.192 3.487 20 0 FGADHM C[C@@H](OC(=O)c1cnc(Cl)c(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000736162058 598486330 /nfs/dbraw/zinc/48/63/30/598486330.db2.gz FYILLHORRGVNQV-MRVPVSSYSA-N -1 3 364.192 3.487 20 0 FGADHM C[C@@H](OC(=O)[C@H](C)Oc1ccccc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000736191015 598486408 /nfs/dbraw/zinc/48/64/08/598486408.db2.gz VGVWROUYZVQJHG-NEPJUHHUSA-N -1 3 356.357 3.078 20 0 FGADHM C[C@@H](OC(=O)[C@H](C)Oc1ccccc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000736191015 598486411 /nfs/dbraw/zinc/48/64/11/598486411.db2.gz VGVWROUYZVQJHG-NEPJUHHUSA-N -1 3 356.357 3.078 20 0 FGADHM C[C@H](OC(=O)[C@H]1Cc2cc(Cl)ccc2O1)c1cccc(-c2nnn[n-]2)c1 ZINC000736153132 598488807 /nfs/dbraw/zinc/48/88/07/598488807.db2.gz QBBQYHCLTOTXQY-MGPLVRAMSA-N -1 3 370.796 3.128 20 0 FGADHM C[C@H](OC(=O)[C@H]1Cc2cc(Cl)ccc2O1)c1cccc(-c2nn[n-]n2)c1 ZINC000736153132 598488808 /nfs/dbraw/zinc/48/88/08/598488808.db2.gz QBBQYHCLTOTXQY-MGPLVRAMSA-N -1 3 370.796 3.128 20 0 FGADHM C[C@@H](OC(=O)[C@H]1Cc2cc(Cl)ccc2O1)c1cccc(-c2nnn[n-]2)c1 ZINC000736153136 598488948 /nfs/dbraw/zinc/48/89/48/598488948.db2.gz QBBQYHCLTOTXQY-QLJPJBMISA-N -1 3 370.796 3.128 20 0 FGADHM C[C@@H](OC(=O)[C@H]1Cc2cc(Cl)ccc2O1)c1cccc(-c2nn[n-]n2)c1 ZINC000736153136 598488950 /nfs/dbraw/zinc/48/89/50/598488950.db2.gz QBBQYHCLTOTXQY-QLJPJBMISA-N -1 3 370.796 3.128 20 0 FGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)Cc1cc2ccccc2o1 ZINC000735661858 598489247 /nfs/dbraw/zinc/48/92/47/598489247.db2.gz XOGWKLXSKQENCY-UHFFFAOYSA-N -1 3 364.409 3.351 20 0 FGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)Cc1cc2ccccc2o1 ZINC000735661858 598489248 /nfs/dbraw/zinc/48/92/48/598489248.db2.gz XOGWKLXSKQENCY-UHFFFAOYSA-N -1 3 364.409 3.351 20 0 FGADHM O=[S@](Cc1cccc(-c2nnn[n-]2)c1)c1cccc(C(F)(F)F)c1 ZINC000738356970 598491711 /nfs/dbraw/zinc/49/17/11/598491711.db2.gz MZKGZWDVINUDIO-XMMPIXPASA-N -1 3 352.341 3.193 20 0 FGADHM O=[S@](Cc1cccc(-c2nn[n-]n2)c1)c1cccc(C(F)(F)F)c1 ZINC000738356970 598491713 /nfs/dbraw/zinc/49/17/13/598491713.db2.gz MZKGZWDVINUDIO-XMMPIXPASA-N -1 3 352.341 3.193 20 0 FGADHM C[C@H](Oc1ccc(F)cc1)C(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000736175607 598492068 /nfs/dbraw/zinc/49/20/68/598492068.db2.gz QNKGTBIORJWMEF-RYUDHWBXSA-N -1 3 356.357 3.078 20 0 FGADHM C[C@H](Oc1ccc(F)cc1)C(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000736175607 598492070 /nfs/dbraw/zinc/49/20/70/598492070.db2.gz QNKGTBIORJWMEF-RYUDHWBXSA-N -1 3 356.357 3.078 20 0 FGADHM CCC[C@@H](Cc1ccccc1)NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000736426056 598518003 /nfs/dbraw/zinc/51/80/03/598518003.db2.gz NWRYXLGUALUVBH-JKGDOXCYSA-N -1 3 361.449 3.408 20 0 FGADHM CCC[C@@H](Cc1ccccc1)NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000736426056 598518004 /nfs/dbraw/zinc/51/80/04/598518004.db2.gz NWRYXLGUALUVBH-JKGDOXCYSA-N -1 3 361.449 3.408 20 0 FGADHM CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000735796332 598526638 /nfs/dbraw/zinc/52/66/38/598526638.db2.gz AEFODJPVMIKWJA-RDJZCZTQSA-N -1 3 356.474 3.271 20 0 FGADHM CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000735796332 598526639 /nfs/dbraw/zinc/52/66/39/598526639.db2.gz AEFODJPVMIKWJA-RDJZCZTQSA-N -1 3 356.474 3.271 20 0 FGADHM CC(C)NC(=S)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735888744 598536787 /nfs/dbraw/zinc/53/67/87/598536787.db2.gz PJLPJQHGBXSJHA-UHFFFAOYSA-N -1 3 368.466 3.141 20 0 FGADHM CC(C)NC(=S)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735888744 598536789 /nfs/dbraw/zinc/53/67/89/598536789.db2.gz PJLPJQHGBXSJHA-UHFFFAOYSA-N -1 3 368.466 3.141 20 0 FGADHM O=C(COc1ccccc1-c1nnn[n-]1)O[C@@H]1CCc2ccc(Cl)cc21 ZINC000737928812 598537942 /nfs/dbraw/zinc/53/79/42/598537942.db2.gz FJMIOYFDDASTLY-MRXNPFEDSA-N -1 3 370.796 3.130 20 0 FGADHM O=C(COc1ccccc1-c1nn[n-]n1)O[C@@H]1CCc2ccc(Cl)cc21 ZINC000737928812 598537944 /nfs/dbraw/zinc/53/79/44/598537944.db2.gz FJMIOYFDDASTLY-MRXNPFEDSA-N -1 3 370.796 3.130 20 0 FGADHM CCN(CC(C)C)C(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000736511939 598540683 /nfs/dbraw/zinc/54/06/83/598540683.db2.gz GJJMAXWCAMFBBX-UHFFFAOYSA-N -1 3 369.425 3.157 20 0 FGADHM CCC[C@H](CC)NC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000736422496 598540738 /nfs/dbraw/zinc/54/07/38/598540738.db2.gz IJYFASNMSQIEFF-AWEZNQCLSA-N -1 3 369.425 3.347 20 0 FGADHM Cc1cc(OCc2cccc(-c3nnn[n-]3)c2)ccc1NC(=O)[C@H]1C[C@@H]1C ZINC000737280919 598542278 /nfs/dbraw/zinc/54/22/78/598542278.db2.gz VYSSILFLFQLDKL-SJCJKPOMSA-N -1 3 363.421 3.349 20 0 FGADHM Cc1cc(OCc2cccc(-c3nn[n-]n3)c2)ccc1NC(=O)[C@H]1C[C@@H]1C ZINC000737280919 598542280 /nfs/dbraw/zinc/54/22/80/598542280.db2.gz VYSSILFLFQLDKL-SJCJKPOMSA-N -1 3 363.421 3.349 20 0 FGADHM O=C(CCc1cccs1)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000737860899 598547188 /nfs/dbraw/zinc/54/71/88/598547188.db2.gz NOWHOJVBOPQFGQ-UHFFFAOYSA-N -1 3 365.365 3.101 20 0 FGADHM O=C(CCc1cccs1)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000737860899 598547189 /nfs/dbraw/zinc/54/71/89/598547189.db2.gz NOWHOJVBOPQFGQ-UHFFFAOYSA-N -1 3 365.365 3.101 20 0 FGADHM CC[C@H]1CCCN1C(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000736402552 598549658 /nfs/dbraw/zinc/54/96/58/598549658.db2.gz NTJXJWYLDYDUIZ-AWEZNQCLSA-N -1 3 367.409 3.053 20 0 FGADHM Cc1c[nH]cc1C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737217359 598550229 /nfs/dbraw/zinc/55/02/29/598550229.db2.gz CWTHJJCZXBBLDF-UHFFFAOYSA-N -1 3 374.404 3.335 20 0 FGADHM Cc1c[nH]cc1C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737217359 598550231 /nfs/dbraw/zinc/55/02/31/598550231.db2.gz CWTHJJCZXBBLDF-UHFFFAOYSA-N -1 3 374.404 3.335 20 0 FGADHM Cc1ccc(CN(C)Cn2ccc(-c3ccc(-c4nnn[n-]4)cc3)n2)s1 ZINC000737340283 598551413 /nfs/dbraw/zinc/55/14/13/598551413.db2.gz DEVURHXOUPDYBG-UHFFFAOYSA-N -1 3 365.466 3.190 20 0 FGADHM Cc1ccc(CN(C)Cn2ccc(-c3ccc(-c4nn[n-]n4)cc3)n2)s1 ZINC000737340283 598551414 /nfs/dbraw/zinc/55/14/14/598551414.db2.gz DEVURHXOUPDYBG-UHFFFAOYSA-N -1 3 365.466 3.190 20 0 FGADHM Cc1cc(CNc2ccc(OCc3cccc(-c4nnn[n-]4)c3)cc2)no1 ZINC000737265674 598553329 /nfs/dbraw/zinc/55/33/29/598553329.db2.gz YVJMJEAUBASQLA-UHFFFAOYSA-N -1 3 362.393 3.354 20 0 FGADHM Cc1cc(CNc2ccc(OCc3cccc(-c4nn[n-]n4)c3)cc2)no1 ZINC000737265674 598553331 /nfs/dbraw/zinc/55/33/31/598553331.db2.gz YVJMJEAUBASQLA-UHFFFAOYSA-N -1 3 362.393 3.354 20 0 FGADHM CC[C@@H](C)[C@@H](C)NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000736327385 598561963 /nfs/dbraw/zinc/56/19/63/598561963.db2.gz FBYBPFRKUFAFPD-RKDXNWHRSA-N -1 3 354.361 3.024 20 0 FGADHM CC[C@@H](C)[C@@H](C)NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000736327385 598561964 /nfs/dbraw/zinc/56/19/64/598561964.db2.gz FBYBPFRKUFAFPD-RKDXNWHRSA-N -1 3 354.361 3.024 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)/C=C/Sc1ccccc1 ZINC000736629587 598565723 /nfs/dbraw/zinc/56/57/23/598565723.db2.gz WYADNWWIBHLMDD-ZHACJKMWSA-N -1 3 368.418 3.477 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)/C=C/Sc1ccccc1 ZINC000736629587 598565724 /nfs/dbraw/zinc/56/57/24/598565724.db2.gz WYADNWWIBHLMDD-ZHACJKMWSA-N -1 3 368.418 3.477 20 0 FGADHM Fc1ccc(OCCCn2ccc(-c3ccc(-c4nnn[n-]4)cc3)n2)cc1 ZINC000737657497 598566681 /nfs/dbraw/zinc/56/66/81/598566681.db2.gz WDZRLTZYLVJBQX-UHFFFAOYSA-N -1 3 364.384 3.338 20 0 FGADHM Fc1ccc(OCCCn2ccc(-c3ccc(-c4nn[n-]n4)cc3)n2)cc1 ZINC000737657497 598566682 /nfs/dbraw/zinc/56/66/82/598566682.db2.gz WDZRLTZYLVJBQX-UHFFFAOYSA-N -1 3 364.384 3.338 20 0 FGADHM CCCC[C@@H](CC)CNC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000736438144 598569201 /nfs/dbraw/zinc/56/92/01/598569201.db2.gz MEWKDMVGCPRIKM-CRAIPNDOSA-N -1 3 370.501 3.168 20 0 FGADHM CN(C(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000736733420 598569693 /nfs/dbraw/zinc/56/96/93/598569693.db2.gz UKKXQFHKCSHDHG-VXGBXAGGSA-N -1 3 373.338 3.051 20 0 FGADHM CN(C(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736733420 598569695 /nfs/dbraw/zinc/56/96/95/598569695.db2.gz UKKXQFHKCSHDHG-VXGBXAGGSA-N -1 3 373.338 3.051 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000738162707 598570219 /nfs/dbraw/zinc/57/02/19/598570219.db2.gz LLMGNGFFEKPMCY-WDEREUQCSA-N -1 3 359.311 3.026 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000738162707 598570220 /nfs/dbraw/zinc/57/02/20/598570220.db2.gz LLMGNGFFEKPMCY-WDEREUQCSA-N -1 3 359.311 3.026 20 0 FGADHM Cc1ccc(NC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000737356449 598570549 /nfs/dbraw/zinc/57/05/49/598570549.db2.gz PODYDUWMIKUHEW-SFHVURJKSA-N -1 3 362.437 3.091 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N(C)[C@@H](C)c1cccc(O)c1 ZINC000737292162 598583561 /nfs/dbraw/zinc/58/35/61/598583561.db2.gz SOJGNCFBZXWWOT-LBPRGKRZSA-N -1 3 352.398 3.106 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N(C)[C@@H](C)c1cccc(O)c1 ZINC000737292162 598583562 /nfs/dbraw/zinc/58/35/62/598583562.db2.gz SOJGNCFBZXWWOT-LBPRGKRZSA-N -1 3 352.398 3.106 20 0 FGADHM Cc1nc(C(C)(C)C)sc1C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737468368 598583905 /nfs/dbraw/zinc/58/39/05/598583905.db2.gz XTSNDWFBYCBOCW-UHFFFAOYSA-N -1 3 360.418 3.321 20 0 FGADHM Cc1nc(C(C)(C)C)sc1C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737468368 598583907 /nfs/dbraw/zinc/58/39/07/598583907.db2.gz XTSNDWFBYCBOCW-UHFFFAOYSA-N -1 3 360.418 3.321 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)C(F)(F)c1cccc(Cl)c1 ZINC000738164085 598584109 /nfs/dbraw/zinc/58/41/09/598584109.db2.gz XNRFNACDLYZJIG-UHFFFAOYSA-N -1 3 367.718 3.390 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)C(F)(F)c1cccc(Cl)c1 ZINC000738164085 598584111 /nfs/dbraw/zinc/58/41/11/598584111.db2.gz XNRFNACDLYZJIG-UHFFFAOYSA-N -1 3 367.718 3.390 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000738232435 598584221 /nfs/dbraw/zinc/58/42/21/598584221.db2.gz QPZIAPFQPKLLSU-JSGCOSHPSA-N -1 3 374.322 3.131 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000738232435 598584223 /nfs/dbraw/zinc/58/42/23/598584223.db2.gz QPZIAPFQPKLLSU-JSGCOSHPSA-N -1 3 374.322 3.131 20 0 FGADHM O=C(OCCc1cccc(C(F)(F)F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738222915 598585832 /nfs/dbraw/zinc/58/58/32/598585832.db2.gz PSQDJTRXFVAUBZ-UHFFFAOYSA-N -1 3 362.311 3.285 20 0 FGADHM O=C(OCCc1cccc(C(F)(F)F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738222915 598585833 /nfs/dbraw/zinc/58/58/33/598585833.db2.gz PSQDJTRXFVAUBZ-UHFFFAOYSA-N -1 3 362.311 3.285 20 0 FGADHM CSCc1cccc(NC(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)c1 ZINC000737187778 598588045 /nfs/dbraw/zinc/58/80/45/598588045.db2.gz UVEVMMMDHIZTQE-GFCCVEGCSA-N -1 3 369.450 3.136 20 0 FGADHM CSCc1cccc(NC(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)c1 ZINC000737187778 598588046 /nfs/dbraw/zinc/58/80/46/598588046.db2.gz UVEVMMMDHIZTQE-GFCCVEGCSA-N -1 3 369.450 3.136 20 0 FGADHM O=C(C=Cc1ccc2ccccc2n1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737795541 598591024 /nfs/dbraw/zinc/59/10/24/598591024.db2.gz ADOVSWSQSBSSDL-NTMALXAHSA-N -1 3 360.352 3.206 20 0 FGADHM O=C(C=Cc1ccc2ccccc2n1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737795541 598591026 /nfs/dbraw/zinc/59/10/26/598591026.db2.gz ADOVSWSQSBSSDL-NTMALXAHSA-N -1 3 360.352 3.206 20 0 FGADHM CCC[C@H](NC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1)C1CCCCC1 ZINC000736426035 598593152 /nfs/dbraw/zinc/59/31/52/598593152.db2.gz NIBGWZUZMAJLRI-YOEHRIQHSA-N -1 3 371.485 3.499 20 0 FGADHM CCC[C@H](NC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1)C1CCCCC1 ZINC000736426035 598593154 /nfs/dbraw/zinc/59/31/54/598593154.db2.gz NIBGWZUZMAJLRI-YOEHRIQHSA-N -1 3 371.485 3.499 20 0 FGADHM CCC[C@@H](NC(=O)COc1ccccc1-c1nnn[n-]1)C1CCCCC1 ZINC000736430478 598593492 /nfs/dbraw/zinc/59/34/92/598593492.db2.gz LCVUJNHQOTXVSJ-MRXNPFEDSA-N -1 3 357.458 3.111 20 0 FGADHM CCC[C@@H](NC(=O)COc1ccccc1-c1nn[n-]n1)C1CCCCC1 ZINC000736430478 598593493 /nfs/dbraw/zinc/59/34/93/598593493.db2.gz LCVUJNHQOTXVSJ-MRXNPFEDSA-N -1 3 357.458 3.111 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1c[nH]c2cc(Cl)ccc12 ZINC000738168305 598600520 /nfs/dbraw/zinc/60/05/20/598600520.db2.gz YZYHEFIHOKWDCF-UHFFFAOYSA-N -1 3 356.748 3.393 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1c[nH]c2cc(Cl)ccc12 ZINC000738168305 598600521 /nfs/dbraw/zinc/60/05/21/598600521.db2.gz YZYHEFIHOKWDCF-UHFFFAOYSA-N -1 3 356.748 3.393 20 0 FGADHM CSCc1cccc(NC(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737187426 598601259 /nfs/dbraw/zinc/60/12/59/598601259.db2.gz RQLWEQYZVLFFCC-UHFFFAOYSA-N -1 3 368.466 3.394 20 0 FGADHM CSCc1cccc(NC(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737187426 598601261 /nfs/dbraw/zinc/60/12/61/598601261.db2.gz RQLWEQYZVLFFCC-UHFFFAOYSA-N -1 3 368.466 3.394 20 0 FGADHM COc1cc(CNc2ccc(F)c(-c3nnn[n-]3)c2)ccc1OC(F)F ZINC000737048005 598603013 /nfs/dbraw/zinc/60/30/13/598603013.db2.gz WERUSTGQRZJHTJ-UHFFFAOYSA-N -1 3 365.315 3.228 20 0 FGADHM COc1cc(CNc2ccc(F)c(-c3nn[n-]n3)c2)ccc1OC(F)F ZINC000737048005 598603014 /nfs/dbraw/zinc/60/30/14/598603014.db2.gz WERUSTGQRZJHTJ-UHFFFAOYSA-N -1 3 365.315 3.228 20 0 FGADHM O=C(N[C@H]1CCCC[C@H]1Cc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738027078 598609669 /nfs/dbraw/zinc/60/96/69/598609669.db2.gz XJGQUMNDQWAXDW-OALUTQOASA-N -1 3 361.449 3.398 20 0 FGADHM O=C(N[C@H]1CCCC[C@H]1Cc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738027078 598609671 /nfs/dbraw/zinc/60/96/71/598609671.db2.gz XJGQUMNDQWAXDW-OALUTQOASA-N -1 3 361.449 3.398 20 0 FGADHM CCC[C@@H]1CCCC[C@H]1NC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736434348 598617074 /nfs/dbraw/zinc/61/70/74/598617074.db2.gz DYUQJTXVTOJCTM-NVXWUHKLSA-N -1 3 356.474 3.367 20 0 FGADHM CCC[C@@H]1CCCC[C@H]1NC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736434348 598617075 /nfs/dbraw/zinc/61/70/75/598617075.db2.gz DYUQJTXVTOJCTM-NVXWUHKLSA-N -1 3 356.474 3.367 20 0 FGADHM O=C(C=Cc1ccc(Cl)s1)OCC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826400523 607361095 /nfs/dbraw/zinc/36/10/95/607361095.db2.gz ATABVWOJPJCUMM-FNORWQNLSA-N -1 3 374.809 3.021 20 0 FGADHM O=C(C=Cc1ccc(Cl)s1)OCC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826400523 607361097 /nfs/dbraw/zinc/36/10/97/607361097.db2.gz ATABVWOJPJCUMM-FNORWQNLSA-N -1 3 374.809 3.021 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N[C@@H]1CCc2cc(Cl)ccc21 ZINC000738167234 598628980 /nfs/dbraw/zinc/62/89/80/598628980.db2.gz PYGJXKLIZCYKCS-OAHLLOKOSA-N -1 3 372.791 3.468 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N[C@@H]1CCc2cc(Cl)ccc21 ZINC000738167234 598628982 /nfs/dbraw/zinc/62/89/82/598628982.db2.gz PYGJXKLIZCYKCS-OAHLLOKOSA-N -1 3 372.791 3.468 20 0 FGADHM Clc1cccc(-c2nnn[n-]2)c1NC[C@H]1CCN(c2ccccc2)C1 ZINC000737574565 598633747 /nfs/dbraw/zinc/63/37/47/598633747.db2.gz MBIJLFZDJULTOE-CYBMUJFWSA-N -1 3 354.845 3.459 20 0 FGADHM Clc1cccc(-c2nn[n-]n2)c1NC[C@H]1CCN(c2ccccc2)C1 ZINC000737574565 598633749 /nfs/dbraw/zinc/63/37/49/598633749.db2.gz MBIJLFZDJULTOE-CYBMUJFWSA-N -1 3 354.845 3.459 20 0 FGADHM O[C@@H](CNc1c(Cl)cccc1-c1nnn[n-]1)c1ccc(Cl)cc1 ZINC000738381495 598634500 /nfs/dbraw/zinc/63/45/00/598634500.db2.gz HGMLUMMFRAGXOW-ZDUSSCGKSA-N -1 3 350.209 3.319 20 0 FGADHM O[C@@H](CNc1c(Cl)cccc1-c1nn[n-]n1)c1ccc(Cl)cc1 ZINC000738381495 598634502 /nfs/dbraw/zinc/63/45/02/598634502.db2.gz HGMLUMMFRAGXOW-ZDUSSCGKSA-N -1 3 350.209 3.319 20 0 FGADHM COc1ccc(C[C@@H](C)OC(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000737087352 598641868 /nfs/dbraw/zinc/64/18/68/598641868.db2.gz MYWCZCULCYQHTN-BRADTZPFSA-N -1 3 364.405 3.063 20 0 FGADHM COc1ccc(C[C@@H](C)OC(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000737087352 598641869 /nfs/dbraw/zinc/64/18/69/598641869.db2.gz MYWCZCULCYQHTN-BRADTZPFSA-N -1 3 364.405 3.063 20 0 FGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)Nc1ccc(F)c(F)c1F ZINC000737939959 598647735 /nfs/dbraw/zinc/64/77/35/598647735.db2.gz DFCDVFGHINDFCC-UHFFFAOYSA-N -1 3 365.340 3.015 20 0 FGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)Nc1ccc(F)c(F)c1F ZINC000737939959 598647737 /nfs/dbraw/zinc/64/77/37/598647737.db2.gz DFCDVFGHINDFCC-UHFFFAOYSA-N -1 3 365.340 3.015 20 0 FGADHM CCCNC(=O)c1cccc(CNc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000736487156 598652585 /nfs/dbraw/zinc/65/25/85/598652585.db2.gz DMACXANBNHCKKD-UHFFFAOYSA-N -1 3 370.844 3.272 20 0 FGADHM CCCNC(=O)c1cccc(CNc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000736487156 598652587 /nfs/dbraw/zinc/65/25/87/598652587.db2.gz DMACXANBNHCKKD-UHFFFAOYSA-N -1 3 370.844 3.272 20 0 FGADHM COc1ccccc1[C@@H](C)CC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000737141940 598652917 /nfs/dbraw/zinc/65/29/17/598652917.db2.gz KWAXXBLYNFGIBY-AWEZNQCLSA-N -1 3 365.437 3.028 20 0 FGADHM COc1ccccc1[C@@H](C)CC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000737141940 598652919 /nfs/dbraw/zinc/65/29/19/598652919.db2.gz KWAXXBLYNFGIBY-AWEZNQCLSA-N -1 3 365.437 3.028 20 0 FGADHM CC[C@@H](NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1)C(C)C ZINC000736363896 598654738 /nfs/dbraw/zinc/65/47/38/598654738.db2.gz OXCAGBYUQRUWOI-MRXNPFEDSA-N -1 3 366.425 3.218 20 0 FGADHM CC[C@@H](NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1)C(C)C ZINC000736363896 598654739 /nfs/dbraw/zinc/65/47/39/598654739.db2.gz OXCAGBYUQRUWOI-MRXNPFEDSA-N -1 3 366.425 3.218 20 0 FGADHM O=C(Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)c1cscn1 ZINC000738171765 598657719 /nfs/dbraw/zinc/65/77/19/598657719.db2.gz KKOIVUBJPSFASV-UHFFFAOYSA-N -1 3 364.390 3.368 20 0 FGADHM CCn1cc(C2CCN(c3ccc(-c4nnn[n-]4)c(Cl)c3)CC2)cn1 ZINC000736723061 598668227 /nfs/dbraw/zinc/66/82/27/598668227.db2.gz UFEQVICCYWLHBX-UHFFFAOYSA-N -1 3 357.849 3.121 20 0 FGADHM CCn1cc(C2CCN(c3ccc(-c4nn[n-]n4)c(Cl)c3)CC2)cn1 ZINC000736723061 598668228 /nfs/dbraw/zinc/66/82/28/598668228.db2.gz UFEQVICCYWLHBX-UHFFFAOYSA-N -1 3 357.849 3.121 20 0 FGADHM CC(C)C[C@@H](C)Oc1cc(CNc2ncccc2-c2nnn[n-]2)ccn1 ZINC000735761631 598675359 /nfs/dbraw/zinc/67/53/59/598675359.db2.gz OOFIOVMAVMPWCB-CYBMUJFWSA-N -1 3 353.430 3.082 20 0 FGADHM CC(C)C[C@@H](C)Oc1cc(CNc2ncccc2-c2nn[n-]n2)ccn1 ZINC000735761631 598675364 /nfs/dbraw/zinc/67/53/64/598675364.db2.gz OOFIOVMAVMPWCB-CYBMUJFWSA-N -1 3 353.430 3.082 20 0 FGADHM Clc1ccc([C@H]2CCN(c3nc4c(cc3-c3nnn[n-]3)CCC4)C2)cc1 ZINC000737571077 598680627 /nfs/dbraw/zinc/68/06/27/598680627.db2.gz QQTCNZHKXSADGZ-AWEZNQCLSA-N -1 3 366.856 3.398 20 0 FGADHM Clc1ccc([C@H]2CCN(c3nc4c(cc3-c3nn[n-]n3)CCC4)C2)cc1 ZINC000737571077 598680629 /nfs/dbraw/zinc/68/06/29/598680629.db2.gz QQTCNZHKXSADGZ-AWEZNQCLSA-N -1 3 366.856 3.398 20 0 FGADHM Cc1cc(C)c(-c2nnn[n-]2)c(NCCOc2ccccc2C(C)C)n1 ZINC000737239556 598682002 /nfs/dbraw/zinc/68/20/02/598682002.db2.gz DHIXCDYPQSHJOR-UHFFFAOYSA-N -1 3 352.442 3.493 20 0 FGADHM Cc1cc(C)c(-c2nn[n-]n2)c(NCCOc2ccccc2C(C)C)n1 ZINC000737239556 598682004 /nfs/dbraw/zinc/68/20/04/598682004.db2.gz DHIXCDYPQSHJOR-UHFFFAOYSA-N -1 3 352.442 3.493 20 0 FGADHM Fc1ccc(CN[C@H](c2nccs2)c2ccccc2)c(-c2nnn[n-]2)c1 ZINC000737651993 598684705 /nfs/dbraw/zinc/68/47/05/598684705.db2.gz ZXUZHMLIFBNKDK-INIZCTEOSA-N -1 3 366.425 3.342 20 0 FGADHM Fc1ccc(CN[C@H](c2nccs2)c2ccccc2)c(-c2nn[n-]n2)c1 ZINC000737651993 598684706 /nfs/dbraw/zinc/68/47/06/598684706.db2.gz ZXUZHMLIFBNKDK-INIZCTEOSA-N -1 3 366.425 3.342 20 0 FGADHM CC(C)[C@@H]1CCCN1C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000735747673 598684795 /nfs/dbraw/zinc/68/47/95/598684795.db2.gz FRFUFCGXZAVAOU-KRWDZBQOSA-N -1 3 357.458 3.063 20 0 FGADHM CC(C)[C@@H]1CCCN1C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000735747673 598684796 /nfs/dbraw/zinc/68/47/96/598684796.db2.gz FRFUFCGXZAVAOU-KRWDZBQOSA-N -1 3 357.458 3.063 20 0 FGADHM Cc1ccc(NC(=O)CSCc2ccc(F)cc2-c2nnn[n-]2)cc1C ZINC000737357029 598696418 /nfs/dbraw/zinc/69/64/18/598696418.db2.gz MDDNFEFFTPVJIR-UHFFFAOYSA-N -1 3 371.441 3.495 20 0 FGADHM Cc1ccc(NC(=O)CSCc2ccc(F)cc2-c2nn[n-]n2)cc1C ZINC000737357029 598696420 /nfs/dbraw/zinc/69/64/20/598696420.db2.gz MDDNFEFFTPVJIR-UHFFFAOYSA-N -1 3 371.441 3.495 20 0 FGADHM CN(C)C(=O)c1cccc(CSCc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000736753668 598696737 /nfs/dbraw/zinc/69/67/37/598696737.db2.gz MUXQRNIAODPECR-UHFFFAOYSA-N -1 3 371.441 3.141 20 0 FGADHM CN(C)C(=O)c1cccc(CSCc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000736753668 598696739 /nfs/dbraw/zinc/69/67/39/598696739.db2.gz MUXQRNIAODPECR-UHFFFAOYSA-N -1 3 371.441 3.141 20 0 FGADHM O=C(COC(=O)c1cc2ccccc2s1)c1cccc(-c2nnn[n-]2)c1 ZINC000826415586 607363072 /nfs/dbraw/zinc/36/30/72/607363072.db2.gz KTQINLKBACZETM-UHFFFAOYSA-N -1 3 364.386 3.121 20 0 FGADHM O=C(COC(=O)c1cc2ccccc2s1)c1cccc(-c2nn[n-]n2)c1 ZINC000826415586 607363074 /nfs/dbraw/zinc/36/30/74/607363074.db2.gz KTQINLKBACZETM-UHFFFAOYSA-N -1 3 364.386 3.121 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000738233037 598708591 /nfs/dbraw/zinc/70/85/91/598708591.db2.gz ZSTLWAAWSQDBKN-MWLCHTKSSA-N -1 3 372.322 3.418 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000738233037 598708593 /nfs/dbraw/zinc/70/85/93/598708593.db2.gz ZSTLWAAWSQDBKN-MWLCHTKSSA-N -1 3 372.322 3.418 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)c1ccc(-c2cnco2)cc1 ZINC000738234952 598710237 /nfs/dbraw/zinc/71/02/37/598710237.db2.gz IUAWESQZJJEMLS-UHFFFAOYSA-N -1 3 365.324 3.018 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)c1ccc(-c2cnco2)cc1 ZINC000738234952 598710239 /nfs/dbraw/zinc/71/02/39/598710239.db2.gz IUAWESQZJJEMLS-UHFFFAOYSA-N -1 3 365.324 3.018 20 0 FGADHM C[C@@]1(C(=O)OCc2ccc(F)cc2-c2nnn[n-]2)CCCc2ccccc21 ZINC000736208574 598710790 /nfs/dbraw/zinc/71/07/90/598710790.db2.gz YMILMDRNCYPEMT-HXUWFJFHSA-N -1 3 366.396 3.343 20 0 FGADHM C[C@@]1(C(=O)OCc2ccc(F)cc2-c2nn[n-]n2)CCCc2ccccc21 ZINC000736208574 598710791 /nfs/dbraw/zinc/71/07/91/598710791.db2.gz YMILMDRNCYPEMT-HXUWFJFHSA-N -1 3 366.396 3.343 20 0 FGADHM CCc1ccc([C@H](C)C(=O)OCc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000736686241 598711103 /nfs/dbraw/zinc/71/11/03/598711103.db2.gz KEPKJJZNEOUFMU-LBPRGKRZSA-N -1 3 354.385 3.415 20 0 FGADHM CCc1ccc([C@H](C)C(=O)OCc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000736686241 598711105 /nfs/dbraw/zinc/71/11/05/598711105.db2.gz KEPKJJZNEOUFMU-LBPRGKRZSA-N -1 3 354.385 3.415 20 0 FGADHM CC(C)[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736113238 598716294 /nfs/dbraw/zinc/71/62/94/598716294.db2.gz LSQSXOPYFRCGKX-JQFCIGGWSA-N -1 3 356.474 3.442 20 0 FGADHM CC(C)[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736113238 598716295 /nfs/dbraw/zinc/71/62/95/598716295.db2.gz LSQSXOPYFRCGKX-JQFCIGGWSA-N -1 3 356.474 3.442 20 0 FGADHM c1cn(Cc2cccc3cccnc32)nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC000738446026 598723633 /nfs/dbraw/zinc/72/36/33/598723633.db2.gz REIYOEAYNUOESI-UHFFFAOYSA-N -1 3 353.389 3.327 20 0 FGADHM c1cn(Cc2cccc3cccnc32)nc1-c1ccc(-c2nn[n-]n2)cc1 ZINC000738446026 598723635 /nfs/dbraw/zinc/72/36/35/598723635.db2.gz REIYOEAYNUOESI-UHFFFAOYSA-N -1 3 353.389 3.327 20 0 FGADHM CC(=CC(=O)OCCOc1ccc(-c2nn[n-]n2)cc1)c1cccc(F)c1 ZINC000735449492 598724199 /nfs/dbraw/zinc/72/41/99/598724199.db2.gz ZUXSGKSRNVEBON-ACCUITESSA-N -1 3 368.368 3.031 20 0 FGADHM CC(C)(C)CCCC(=O)NCCSCc1ccccc1-c1nn[n-]n1 ZINC000735603864 598734588 /nfs/dbraw/zinc/73/45/88/598734588.db2.gz PABNEKMJWGKTBO-UHFFFAOYSA-N -1 3 361.515 3.433 20 0 FGADHM CC(C)(C)CCCC(=O)NCCSCc1ccccc1-c1nnn[n-]1 ZINC000735603864 598734586 /nfs/dbraw/zinc/73/45/86/598734586.db2.gz PABNEKMJWGKTBO-UHFFFAOYSA-N -1 3 361.515 3.433 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1N1CCO[C@H](c2ccccc2Cl)C1 ZINC000737641724 598756133 /nfs/dbraw/zinc/75/61/33/598756133.db2.gz XHZLCNAGPCWRMW-INIZCTEOSA-N -1 3 359.792 3.237 20 0 FGADHM CCN(C(=O)c1ccc(SC)o1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736509380 598762855 /nfs/dbraw/zinc/76/28/55/598762855.db2.gz WRKGVEMBUOXNFW-LLVKDONJSA-N -1 3 357.439 3.405 20 0 FGADHM CCN(C(=O)c1ccc(SC)o1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736509380 598762857 /nfs/dbraw/zinc/76/28/57/598762857.db2.gz WRKGVEMBUOXNFW-LLVKDONJSA-N -1 3 357.439 3.405 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccc(SC)o1 ZINC000736479320 598763249 /nfs/dbraw/zinc/76/32/49/598763249.db2.gz FBQJTPQBEPADJN-UHFFFAOYSA-N -1 3 357.439 3.234 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccc(SC)o1 ZINC000736479320 598763250 /nfs/dbraw/zinc/76/32/50/598763250.db2.gz FBQJTPQBEPADJN-UHFFFAOYSA-N -1 3 357.439 3.234 20 0 FGADHM CC(C)[C@@H]1CCC[C@@H](NC(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000735747212 598783134 /nfs/dbraw/zinc/78/31/34/598783134.db2.gz QIHXUOSFVBFWPR-IAGOWNOFSA-N -1 3 356.474 3.223 20 0 FGADHM CC(C)[C@@H]1CCC[C@@H](NC(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000735747212 598783135 /nfs/dbraw/zinc/78/31/35/598783135.db2.gz QIHXUOSFVBFWPR-IAGOWNOFSA-N -1 3 356.474 3.223 20 0 FGADHM COC(=O)CCCOc1ccc(Nc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000736913720 598788328 /nfs/dbraw/zinc/78/83/28/598788328.db2.gz VKMXNSXTHWZKHW-UHFFFAOYSA-N -1 3 371.372 3.081 20 0 FGADHM COC(=O)CCCOc1ccc(Nc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000736913720 598788330 /nfs/dbraw/zinc/78/83/30/598788330.db2.gz VKMXNSXTHWZKHW-UHFFFAOYSA-N -1 3 371.372 3.081 20 0 FGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)CO[C@@H]1CCC[C@H](C)C1 ZINC000736263779 598789744 /nfs/dbraw/zinc/78/97/44/598789744.db2.gz SDZPATSSMQRJAA-MAUKXSAKSA-N -1 3 371.485 3.199 20 0 FGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)CO[C@@H]1CCC[C@H](C)C1 ZINC000736263779 598789745 /nfs/dbraw/zinc/78/97/45/598789745.db2.gz SDZPATSSMQRJAA-MAUKXSAKSA-N -1 3 371.485 3.199 20 0 FGADHM COc1cc2c(cc1OC)CN(c1ccc(Cl)cc1-c1nnn[n-]1)CC2 ZINC000737056822 598791878 /nfs/dbraw/zinc/79/18/78/598791878.db2.gz ZDPXYTWBPPQAAP-UHFFFAOYSA-N -1 3 371.828 3.100 20 0 FGADHM COc1cc2c(cc1OC)CN(c1ccc(Cl)cc1-c1nn[n-]n1)CC2 ZINC000737056822 598791880 /nfs/dbraw/zinc/79/18/80/598791880.db2.gz ZDPXYTWBPPQAAP-UHFFFAOYSA-N -1 3 371.828 3.100 20 0 FGADHM C[C@@H]1CN(c2ccc(Cl)cc2-c2nnn[n-]2)C[C@H](c2ccccc2)O1 ZINC000736286322 598794178 /nfs/dbraw/zinc/79/41/78/598794178.db2.gz BPXOOQLMHJKHGH-SJKOYZFVSA-N -1 3 355.829 3.487 20 0 FGADHM C[C@@H]1CN(c2ccc(Cl)cc2-c2nn[n-]n2)C[C@H](c2ccccc2)O1 ZINC000736286322 598794180 /nfs/dbraw/zinc/79/41/80/598794180.db2.gz BPXOOQLMHJKHGH-SJKOYZFVSA-N -1 3 355.829 3.487 20 0 FGADHM O=C(O[C@H]1CCSC1)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000738219007 598799645 /nfs/dbraw/zinc/79/96/45/598799645.db2.gz JXVRMLPTMMWIOR-INIZCTEOSA-N -1 3 368.418 3.321 20 0 FGADHM O=C(O[C@H]1CCSC1)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738219007 598799647 /nfs/dbraw/zinc/79/96/47/598799647.db2.gz JXVRMLPTMMWIOR-INIZCTEOSA-N -1 3 368.418 3.321 20 0 FGADHM O=C(NC/C=C\c1ccccc1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000738051225 598800765 /nfs/dbraw/zinc/80/07/65/598800765.db2.gz LOOACLSHSCMMDP-DAXSKMNVSA-N -1 3 354.801 3.355 20 0 FGADHM O=C(NC/C=C\c1ccccc1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000738051225 598800766 /nfs/dbraw/zinc/80/07/66/598800766.db2.gz LOOACLSHSCMMDP-DAXSKMNVSA-N -1 3 354.801 3.355 20 0 FGADHM Cc1nc2c(s1)[C@@H](OC(=O)C=Cc1ccccc1-c1nnn[n-]1)CCC2 ZINC000737487284 598801651 /nfs/dbraw/zinc/80/16/51/598801651.db2.gz HFEJKVBPYUOTKK-FEAKQIBJSA-N -1 3 367.434 3.266 20 0 FGADHM Cc1nc2c(s1)[C@@H](OC(=O)C=Cc1ccccc1-c1nn[n-]n1)CCC2 ZINC000737487284 598801653 /nfs/dbraw/zinc/80/16/53/598801653.db2.gz HFEJKVBPYUOTKK-FEAKQIBJSA-N -1 3 367.434 3.266 20 0 FGADHM CCc1c(C)sc(NC(=O)CCCc2ccccn2)c1-c1nnn[n-]1 ZINC000736671278 598805395 /nfs/dbraw/zinc/80/53/95/598805395.db2.gz WADUTQQYBPZDEO-UHFFFAOYSA-N -1 3 356.455 3.155 20 0 FGADHM CCc1c(C)sc(NC(=O)CCCc2ccccn2)c1-c1nn[n-]n1 ZINC000736671278 598805396 /nfs/dbraw/zinc/80/53/96/598805396.db2.gz WADUTQQYBPZDEO-UHFFFAOYSA-N -1 3 356.455 3.155 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1NCCCOc1cccc2cccnc21 ZINC000737639892 598817208 /nfs/dbraw/zinc/81/72/08/598817208.db2.gz HJFOLVMAQZOZSO-UHFFFAOYSA-N -1 3 364.384 3.435 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)N1CCc2ccccc21 ZINC000823303623 599295609 /nfs/dbraw/zinc/29/56/09/599295609.db2.gz OUIHTYMIMXDAJM-UHFFFAOYSA-N -1 3 374.326 3.480 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)N1CCc2ccccc21 ZINC000823303623 599295610 /nfs/dbraw/zinc/29/56/10/599295610.db2.gz OUIHTYMIMXDAJM-UHFFFAOYSA-N -1 3 374.326 3.480 20 0 FGADHM COc1cccc(-c2noc([C@H](C)Oc3ccc(-c4nn[n-]n4)cc3)n2)c1 ZINC000821854777 599308681 /nfs/dbraw/zinc/30/86/81/599308681.db2.gz VBHHTCRINCYMPS-NSHDSACASA-N -1 3 364.365 3.065 20 0 FGADHM Clc1cc(CNc2ccccc2-c2nnn[n-]2)cc2c1OCCCO2 ZINC000822568803 599312207 /nfs/dbraw/zinc/31/22/07/599312207.db2.gz XDRNCWJUULQFOJ-UHFFFAOYSA-N -1 3 357.801 3.294 20 0 FGADHM Clc1cc(CNc2ccccc2-c2nn[n-]n2)cc2c1OCCCO2 ZINC000822568803 599312210 /nfs/dbraw/zinc/31/22/10/599312210.db2.gz XDRNCWJUULQFOJ-UHFFFAOYSA-N -1 3 357.801 3.294 20 0 FGADHM C[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCO[C@H](c2ccccc2F)C1 ZINC000736200011 599314114 /nfs/dbraw/zinc/31/41/14/599314114.db2.gz QSSIMHDICHYIDA-ACJLOTCBSA-N -1 3 353.401 3.140 20 0 FGADHM COc1cc(-c2nnn[n-]2)cc(Br)c1OCC1CCCC1 ZINC000821699525 607368802 /nfs/dbraw/zinc/36/88/02/607368802.db2.gz SZZFGZIDMYJDBW-UHFFFAOYSA-N -1 3 353.220 3.207 20 0 FGADHM COc1cc(-c2nn[n-]n2)cc(Br)c1OCC1CCCC1 ZINC000821699525 607368803 /nfs/dbraw/zinc/36/88/03/607368803.db2.gz SZZFGZIDMYJDBW-UHFFFAOYSA-N -1 3 353.220 3.207 20 0 FGADHM CC(C)(C)C(=O)c1ccsc1NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000735588207 599341296 /nfs/dbraw/zinc/34/12/96/599341296.db2.gz BYLBMAVCWUDODF-UHFFFAOYSA-N -1 3 355.423 3.409 20 0 FGADHM CC(C)(C)C(=O)c1ccsc1NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000735588207 599341299 /nfs/dbraw/zinc/34/12/99/599341299.db2.gz BYLBMAVCWUDODF-UHFFFAOYSA-N -1 3 355.423 3.409 20 0 FGADHM C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000736236480 599342870 /nfs/dbraw/zinc/34/28/70/599342870.db2.gz JXABMSMFHZJCKB-KBRIMQKVSA-N -1 3 371.510 3.280 20 0 FGADHM C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000736236480 599342874 /nfs/dbraw/zinc/34/28/74/599342874.db2.gz JXABMSMFHZJCKB-KBRIMQKVSA-N -1 3 371.510 3.280 20 0 FGADHM COc1cccc(-c2noc(N[C@@H](C)c3cccc(-c4nn[n-]n4)c3)n2)c1 ZINC000821854159 599352947 /nfs/dbraw/zinc/35/29/47/599352947.db2.gz GUNOWAGYQXUAGY-NSHDSACASA-N -1 3 363.381 3.098 20 0 FGADHM CCCCC[C@H](O)CC(=O)N(CC)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736440225 599359067 /nfs/dbraw/zinc/35/90/67/599359067.db2.gz BFNFTUYYNZFNLX-PBHICJAKSA-N -1 3 359.474 3.108 20 0 FGADHM CCCCC[C@H](O)CC(=O)N(CC)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736440225 599359069 /nfs/dbraw/zinc/35/90/69/599359069.db2.gz BFNFTUYYNZFNLX-PBHICJAKSA-N -1 3 359.474 3.108 20 0 FGADHM CCCCC[C@@H](O)CC(=O)N(CC)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736440231 599359429 /nfs/dbraw/zinc/35/94/29/599359429.db2.gz BFNFTUYYNZFNLX-WMLDXEAASA-N -1 3 359.474 3.108 20 0 FGADHM CCCCC[C@@H](O)CC(=O)N(CC)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736440231 599359432 /nfs/dbraw/zinc/35/94/32/599359432.db2.gz BFNFTUYYNZFNLX-WMLDXEAASA-N -1 3 359.474 3.108 20 0 FGADHM Cc1cc(C)c(C)c(OCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)c1 ZINC000822194046 599382075 /nfs/dbraw/zinc/38/20/75/599382075.db2.gz GSUKGXLXTMUEON-UHFFFAOYSA-N -1 3 362.393 3.421 20 0 FGADHM Cc1cc(C)c(C)c(OCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)c1 ZINC000822194046 599382078 /nfs/dbraw/zinc/38/20/78/599382078.db2.gz GSUKGXLXTMUEON-UHFFFAOYSA-N -1 3 362.393 3.421 20 0 FGADHM Cc1ccccc1-c1noc(COc2c(C)cc(-c3nn[n-]n3)cc2C)n1 ZINC000822345131 599387156 /nfs/dbraw/zinc/38/71/56/599387156.db2.gz FPFNDNQZTUTMQV-UHFFFAOYSA-N -1 3 362.393 3.421 20 0 FGADHM CSc1ccc(NC(=O)COc2c(C)cc(-c3nn[n-]n3)cc2C)cc1 ZINC000821983113 599388829 /nfs/dbraw/zinc/38/88/29/599388829.db2.gz DTZODWWFRLESIY-UHFFFAOYSA-N -1 3 369.450 3.223 20 0 FGADHM CO[C@H](C)c1nc(CNc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)cs1 ZINC000821675793 607372729 /nfs/dbraw/zinc/37/27/29/607372729.db2.gz TZEVCAHBRRBSGN-LLVKDONJSA-N -1 3 374.470 3.430 20 0 FGADHM CO[C@H](C)c1nc(CNc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)cs1 ZINC000821675793 607372732 /nfs/dbraw/zinc/37/27/32/607372732.db2.gz TZEVCAHBRRBSGN-LLVKDONJSA-N -1 3 374.470 3.430 20 0 FGADHM CCN(Cc1ccc2c(c1)OCO2)c1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000736557917 599401447 /nfs/dbraw/zinc/40/14/47/599401447.db2.gz DWAXDOAMQJVLNH-UHFFFAOYSA-N -1 3 374.404 3.170 20 0 FGADHM CCN(Cc1ccc2c(c1)OCO2)c1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000736557917 599401451 /nfs/dbraw/zinc/40/14/51/599401451.db2.gz DWAXDOAMQJVLNH-UHFFFAOYSA-N -1 3 374.404 3.170 20 0 FGADHM COc1cc(CNCc2ccc(-c3nnn[n-]3)o2)ccc1OCCC(C)C ZINC000821717797 599406542 /nfs/dbraw/zinc/40/65/42/599406542.db2.gz YZJBTZRXMYJPRZ-UHFFFAOYSA-N -1 3 371.441 3.183 20 0 FGADHM COc1cc(CNCc2ccc(-c3nn[n-]n3)o2)ccc1OCCC(C)C ZINC000821717797 599406544 /nfs/dbraw/zinc/40/65/44/599406544.db2.gz YZJBTZRXMYJPRZ-UHFFFAOYSA-N -1 3 371.441 3.183 20 0 FGADHM CCC(=O)Nc1cccc(CNc2cc(Cl)ccc2-c2nnn[n-]2)c1 ZINC000736308682 599411525 /nfs/dbraw/zinc/41/15/25/599411525.db2.gz GKEXXJLJWFIAET-UHFFFAOYSA-N -1 3 356.817 3.481 20 0 FGADHM CCC(=O)Nc1cccc(CNc2cc(Cl)ccc2-c2nn[n-]n2)c1 ZINC000736308682 599411528 /nfs/dbraw/zinc/41/15/28/599411528.db2.gz GKEXXJLJWFIAET-UHFFFAOYSA-N -1 3 356.817 3.481 20 0 FGADHM COc1ccc(CCCNc2cc(-c3nnn[n-]3)c3ccccc3n2)cc1 ZINC000737089345 599414535 /nfs/dbraw/zinc/41/45/35/599414535.db2.gz SIYLYTKPNQOTDO-UHFFFAOYSA-N -1 3 360.421 3.468 20 0 FGADHM COc1ccc(CCCNc2cc(-c3nn[n-]n3)c3ccccc3n2)cc1 ZINC000737089345 599414538 /nfs/dbraw/zinc/41/45/38/599414538.db2.gz SIYLYTKPNQOTDO-UHFFFAOYSA-N -1 3 360.421 3.468 20 0 FGADHM C[C@H]1CN(c2cc(-c3nnn[n-]3)c3ccccc3n2)C[C@@H](c2ccccc2)O1 ZINC000736286305 599418955 /nfs/dbraw/zinc/41/89/55/599418955.db2.gz BLJQBEYHAHFIEZ-LIRRHRJNSA-N -1 3 372.432 3.381 20 0 FGADHM C[C@H]1CN(c2cc(-c3nn[n-]n3)c3ccccc3n2)C[C@@H](c2ccccc2)O1 ZINC000736286305 599418957 /nfs/dbraw/zinc/41/89/57/599418957.db2.gz BLJQBEYHAHFIEZ-LIRRHRJNSA-N -1 3 372.432 3.381 20 0 FGADHM C[C@@H](NC(=O)NCc1c(F)cccc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000820366961 599424105 /nfs/dbraw/zinc/42/41/05/599424105.db2.gz QPFHREFLIUJXRZ-SNVBAGLBSA-N -1 3 374.807 3.220 20 0 FGADHM C[C@@H](NC(=O)NCc1c(F)cccc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000820366961 599424108 /nfs/dbraw/zinc/42/41/08/599424108.db2.gz QPFHREFLIUJXRZ-SNVBAGLBSA-N -1 3 374.807 3.220 20 0 FGADHM COc1ccc(CNc2ccc(C)c(OC(F)F)c2)cc1-c1nnn[n-]1 ZINC000821821686 599440787 /nfs/dbraw/zinc/44/07/87/599440787.db2.gz RBWKEIAUQMMRMY-UHFFFAOYSA-N -1 3 361.352 3.397 20 0 FGADHM COc1ccc(CNc2ccc(C)c(OC(F)F)c2)cc1-c1nn[n-]n1 ZINC000821821686 599440789 /nfs/dbraw/zinc/44/07/89/599440789.db2.gz RBWKEIAUQMMRMY-UHFFFAOYSA-N -1 3 361.352 3.397 20 0 FGADHM CCOc1cc(CCCNc2cccc(F)c2-c2nnn[n-]2)ccc1OC ZINC000736626211 599442427 /nfs/dbraw/zinc/44/24/27/599442427.db2.gz QECBLPOLHVBYDS-UHFFFAOYSA-N -1 3 371.416 3.458 20 0 FGADHM CCOc1cc(CCCNc2cccc(F)c2-c2nn[n-]n2)ccc1OC ZINC000736626211 599442429 /nfs/dbraw/zinc/44/24/29/599442429.db2.gz QECBLPOLHVBYDS-UHFFFAOYSA-N -1 3 371.416 3.458 20 0 FGADHM Cc1cccc([C@@H](C)CNC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000822289546 599446845 /nfs/dbraw/zinc/44/68/45/599446845.db2.gz ZBXLDUDZSWIBFQ-GJZGRUSLSA-N -1 3 364.453 3.339 20 0 FGADHM Cc1cccc([C@@H](C)CNC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000822289546 599446847 /nfs/dbraw/zinc/44/68/47/599446847.db2.gz ZBXLDUDZSWIBFQ-GJZGRUSLSA-N -1 3 364.453 3.339 20 0 FGADHM Cc1c(NC(=O)Nc2ccc(-c3nnn[n-]3)cc2)cnn1-c1ccccc1 ZINC000822102836 607380593 /nfs/dbraw/zinc/38/05/93/607380593.db2.gz DKQHZOOIPCQIOA-UHFFFAOYSA-N -1 3 360.381 3.005 20 0 FGADHM Cc1c(NC(=O)Nc2ccc(-c3nn[n-]n3)cc2)cnn1-c1ccccc1 ZINC000822102836 607380596 /nfs/dbraw/zinc/38/05/96/607380596.db2.gz DKQHZOOIPCQIOA-UHFFFAOYSA-N -1 3 360.381 3.005 20 0 FGADHM Cc1ccccc1[C@@H](C)N(C)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822345761 599464338 /nfs/dbraw/zinc/46/43/38/599464338.db2.gz QWYSWXQDDJVHJQ-CYBMUJFWSA-N -1 3 368.416 3.217 20 0 FGADHM Cc1ccccc1[C@@H](C)N(C)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822345761 599464339 /nfs/dbraw/zinc/46/43/39/599464339.db2.gz QWYSWXQDDJVHJQ-CYBMUJFWSA-N -1 3 368.416 3.217 20 0 FGADHM O=C(Nc1ccccc1-c1nnn[n-]1)c1cccc(Oc2nccs2)c1 ZINC000738192369 599466855 /nfs/dbraw/zinc/46/68/55/599466855.db2.gz PLXWUFVRVSWNBA-UHFFFAOYSA-N -1 3 364.390 3.368 20 0 FGADHM O=C(Nc1ccccc1-c1nn[n-]n1)c1cccc(Oc2nccs2)c1 ZINC000738192369 599466857 /nfs/dbraw/zinc/46/68/57/599466857.db2.gz PLXWUFVRVSWNBA-UHFFFAOYSA-N -1 3 364.390 3.368 20 0 FGADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)N1CCC[C@H]1c1cccs1 ZINC000823232999 599467016 /nfs/dbraw/zinc/46/70/16/599467016.db2.gz CYJVJYYCQNKGJW-AWEZNQCLSA-N -1 3 372.429 3.114 20 0 FGADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)N1CCC[C@H]1c1cccs1 ZINC000823232999 599467019 /nfs/dbraw/zinc/46/70/19/599467019.db2.gz CYJVJYYCQNKGJW-AWEZNQCLSA-N -1 3 372.429 3.114 20 0 FGADHM C[C@@H](NC(=O)NC[C@@H](C)c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820262427 599473288 /nfs/dbraw/zinc/47/32/88/599473288.db2.gz VQIYYURXEZTTPR-ZIAGYGMSSA-N -1 3 350.426 3.031 20 0 FGADHM C[C@@H](NC(=O)NC[C@@H](C)c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820262427 599473290 /nfs/dbraw/zinc/47/32/90/599473290.db2.gz VQIYYURXEZTTPR-ZIAGYGMSSA-N -1 3 350.426 3.031 20 0 FGADHM Cc1ccccc1CN(C)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822356414 599475132 /nfs/dbraw/zinc/47/51/32/599475132.db2.gz RLZIMARJPYATFJ-AWEZNQCLSA-N -1 3 350.426 3.078 20 0 FGADHM Cc1ccccc1CN(C)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822356414 599475136 /nfs/dbraw/zinc/47/51/36/599475136.db2.gz RLZIMARJPYATFJ-AWEZNQCLSA-N -1 3 350.426 3.078 20 0 FGADHM C[C@@H](NC(=O)N1CC[C@@H](c2ccccc2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820340932 599475797 /nfs/dbraw/zinc/47/57/97/599475797.db2.gz NSTAQYPQCBODNK-RDTXWAMCSA-N -1 3 362.437 3.127 20 0 FGADHM C[C@@H](NC(=O)N1CC[C@@H](c2ccccc2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820340932 599475799 /nfs/dbraw/zinc/47/57/99/599475799.db2.gz NSTAQYPQCBODNK-RDTXWAMCSA-N -1 3 362.437 3.127 20 0 FGADHM C[C@H](NC(=O)N(C)Cc1cccc(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820340242 599480841 /nfs/dbraw/zinc/48/08/41/599480841.db2.gz IXSIHXWJNUQNHK-LBPRGKRZSA-N -1 3 370.844 3.423 20 0 FGADHM C[C@H](NC(=O)N(C)Cc1cccc(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820340242 599480844 /nfs/dbraw/zinc/48/08/44/599480844.db2.gz IXSIHXWJNUQNHK-LBPRGKRZSA-N -1 3 370.844 3.423 20 0 FGADHM CCN(Cc1ccccc1)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821222378 599484368 /nfs/dbraw/zinc/48/43/68/599484368.db2.gz QFWXUWWXOFCIFM-AWEZNQCLSA-N -1 3 350.426 3.159 20 0 FGADHM CCN(Cc1ccccc1)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821222378 599484371 /nfs/dbraw/zinc/48/43/71/599484371.db2.gz QFWXUWWXOFCIFM-AWEZNQCLSA-N -1 3 350.426 3.159 20 0 FGADHM Clc1cccc(-c2nnn[n-]2)c1N1CCCN(c2ccccc2)CC1 ZINC000822581741 599488868 /nfs/dbraw/zinc/48/88/68/599488868.db2.gz MWLJAMJLNZHWAP-UHFFFAOYSA-N -1 3 354.845 3.237 20 0 FGADHM Clc1cccc(-c2nn[n-]n2)c1N1CCCN(c2ccccc2)CC1 ZINC000822581741 599488870 /nfs/dbraw/zinc/48/88/70/599488870.db2.gz MWLJAMJLNZHWAP-UHFFFAOYSA-N -1 3 354.845 3.237 20 0 FGADHM C[C@@H](C[C@@H](O)c1ccccc1)Nc1nc2ccccc2cc1-c1nnn[n-]1 ZINC000820231634 607381352 /nfs/dbraw/zinc/38/13/52/607381352.db2.gz CLVXOYSCGSVJMO-SCLBCKFNSA-N -1 3 360.421 3.339 20 0 FGADHM C[C@@H](C[C@@H](O)c1ccccc1)Nc1nc2ccccc2cc1-c1nn[n-]n1 ZINC000820231634 607381354 /nfs/dbraw/zinc/38/13/54/607381354.db2.gz CLVXOYSCGSVJMO-SCLBCKFNSA-N -1 3 360.421 3.339 20 0 FGADHM C[C@@H](CNc1c(-c2nnn[n-]2)cnc2ccccc21)COCc1ccccc1 ZINC000820275046 599489892 /nfs/dbraw/zinc/48/98/92/599489892.db2.gz MVMHLDFJXZWNCQ-HNNXBMFYSA-N -1 3 374.448 3.102 20 0 FGADHM C[C@@H](CNc1c(-c2nn[n-]n2)cnc2ccccc21)COCc1ccccc1 ZINC000820275046 599489894 /nfs/dbraw/zinc/48/98/94/599489894.db2.gz MVMHLDFJXZWNCQ-HNNXBMFYSA-N -1 3 374.448 3.102 20 0 FGADHM CCc1nc(CN(C)c2c(-c3nnn[n-]3)cnc3c(C)cccc32)cs1 ZINC000821509155 599495368 /nfs/dbraw/zinc/49/53/68/599495368.db2.gz DIFXWVURQJIPAR-UHFFFAOYSA-N -1 3 365.466 3.379 20 0 FGADHM CCc1nc(CN(C)c2c(-c3nn[n-]n3)cnc3c(C)cccc32)cs1 ZINC000821509155 599495371 /nfs/dbraw/zinc/49/53/71/599495371.db2.gz DIFXWVURQJIPAR-UHFFFAOYSA-N -1 3 365.466 3.379 20 0 FGADHM C[C@@H](Nc1ccc(F)cc1)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736139169 599503761 /nfs/dbraw/zinc/50/37/61/599503761.db2.gz OZIALDZPOGHVQE-SECBINFHSA-N -1 3 360.780 3.098 20 0 FGADHM C[C@@H](Nc1ccc(F)cc1)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736139169 599503763 /nfs/dbraw/zinc/50/37/63/599503763.db2.gz OZIALDZPOGHVQE-SECBINFHSA-N -1 3 360.780 3.098 20 0 FGADHM C[C@H](NC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820321190 599516080 /nfs/dbraw/zinc/51/60/80/599516080.db2.gz CHWMHMDPNDILKZ-GDLCADMTSA-N -1 3 367.375 3.413 20 0 FGADHM C[C@H](NC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820321190 599516082 /nfs/dbraw/zinc/51/60/82/599516082.db2.gz CHWMHMDPNDILKZ-GDLCADMTSA-N -1 3 367.375 3.413 20 0 FGADHM CCOc1ccc(CCC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821416686 599517886 /nfs/dbraw/zinc/51/78/86/599517886.db2.gz CGRALFZRLHILSL-CQSZACIVSA-N -1 3 365.437 3.075 20 0 FGADHM CCOc1ccc(CCC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821416686 599517888 /nfs/dbraw/zinc/51/78/88/599517888.db2.gz CGRALFZRLHILSL-CQSZACIVSA-N -1 3 365.437 3.075 20 0 FGADHM Cc1cccc2[nH]cc(CC(=O)N[C@@H](C)c3cccc(-c4nnn[n-]4)c3)c21 ZINC000822332629 599535537 /nfs/dbraw/zinc/53/55/37/599535537.db2.gz QJFBPJNSOKQFGA-ZDUSSCGKSA-N -1 3 360.421 3.076 20 0 FGADHM Cc1cccc2[nH]cc(CC(=O)N[C@@H](C)c3cccc(-c4nn[n-]n4)c3)c21 ZINC000822332629 599535539 /nfs/dbraw/zinc/53/55/39/599535539.db2.gz QJFBPJNSOKQFGA-ZDUSSCGKSA-N -1 3 360.421 3.076 20 0 FGADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2coc(-c3ccccc3)n2)s1 ZINC000736678251 599543973 /nfs/dbraw/zinc/54/39/73/599543973.db2.gz AYTNVWSJTWLGCE-UHFFFAOYSA-N -1 3 366.406 3.398 20 0 FGADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2coc(-c3ccccc3)n2)s1 ZINC000736678251 599543975 /nfs/dbraw/zinc/54/39/75/599543975.db2.gz AYTNVWSJTWLGCE-UHFFFAOYSA-N -1 3 366.406 3.398 20 0 FGADHM O=C(NCc1ccco1)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738123979 599563648 /nfs/dbraw/zinc/56/36/48/599563648.db2.gz JOGRPBLZOLFGJA-UHFFFAOYSA-N -1 3 360.377 3.133 20 0 FGADHM O=C(c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1)N1C[C@@H]2CCC[C@@H]21 ZINC000738273019 599574096 /nfs/dbraw/zinc/57/40/96/599574096.db2.gz JJJXXFRXHCVQLF-YJBOKZPZSA-N -1 3 360.421 3.235 20 0 FGADHM CC[C@H](c1ccncc1)N(C)C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736396324 599601228 /nfs/dbraw/zinc/60/12/28/599601228.db2.gz LCJCBRWNMLADQZ-SUMWQHHRSA-N -1 3 365.441 3.115 20 0 FGADHM CC[C@H](c1ccncc1)N(C)C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736396324 599601230 /nfs/dbraw/zinc/60/12/30/599601230.db2.gz LCJCBRWNMLADQZ-SUMWQHHRSA-N -1 3 365.441 3.115 20 0 FGADHM CC[C@@H](OC(=O)C=Cc1ccccc1-c1nnn[n-]1)C(=O)c1ccccc1 ZINC000736384153 599604839 /nfs/dbraw/zinc/60/48/39/599604839.db2.gz VOYIQDMAHSPWKP-MUSGIIIZSA-N -1 3 362.389 3.085 20 0 FGADHM CC[C@@H](OC(=O)C=Cc1ccccc1-c1nn[n-]n1)C(=O)c1ccccc1 ZINC000736384153 599604840 /nfs/dbraw/zinc/60/48/40/599604840.db2.gz VOYIQDMAHSPWKP-MUSGIIIZSA-N -1 3 362.389 3.085 20 0 FGADHM O=C(Nc1ccccc1-c1nnn[n-]1)c1ccc(F)c(Br)c1 ZINC000823367260 599628047 /nfs/dbraw/zinc/62/80/47/599628047.db2.gz HNHQPLJNDFZCIC-UHFFFAOYSA-N -1 3 362.162 3.021 20 0 FGADHM O=C(Nc1ccccc1-c1nn[n-]n1)c1ccc(F)c(Br)c1 ZINC000823367260 599628048 /nfs/dbraw/zinc/62/80/48/599628048.db2.gz HNHQPLJNDFZCIC-UHFFFAOYSA-N -1 3 362.162 3.021 20 0 FGADHM CCCOc1ccc(CCC(=O)Nc2sccc2-c2nnn[n-]2)cc1 ZINC000821134444 599629296 /nfs/dbraw/zinc/62/92/96/599629296.db2.gz VFPVDRXCSRWRIV-UHFFFAOYSA-N -1 3 357.439 3.288 20 0 FGADHM CCCOc1ccc(CCC(=O)Nc2sccc2-c2nn[n-]n2)cc1 ZINC000821134444 599629297 /nfs/dbraw/zinc/62/92/97/599629297.db2.gz VFPVDRXCSRWRIV-UHFFFAOYSA-N -1 3 357.439 3.288 20 0 FGADHM O=C(Nc1sccc1-c1nnn[n-]1)c1cccc(-c2cscn2)c1 ZINC000823387836 599629937 /nfs/dbraw/zinc/62/99/37/599629937.db2.gz ZSCUOUGMGYTMRT-UHFFFAOYSA-N -1 3 354.420 3.304 20 0 FGADHM O=C(Nc1sccc1-c1nn[n-]n1)c1cccc(-c2cscn2)c1 ZINC000823387836 599629938 /nfs/dbraw/zinc/62/99/38/599629938.db2.gz ZSCUOUGMGYTMRT-UHFFFAOYSA-N -1 3 354.420 3.304 20 0 FGADHM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC000820938888 599630186 /nfs/dbraw/zinc/63/01/86/599630186.db2.gz OELXENLUMQAPJC-BJJXKVORSA-N -1 3 373.457 3.188 20 0 FGADHM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC000820938888 599630187 /nfs/dbraw/zinc/63/01/87/599630187.db2.gz OELXENLUMQAPJC-BJJXKVORSA-N -1 3 373.457 3.188 20 0 FGADHM CC(C)CN(Cc1nnc(-c2ccco2)o1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820093006 599636216 /nfs/dbraw/zinc/63/62/16/599636216.db2.gz REDGCKKLLRHBJB-UHFFFAOYSA-N -1 3 365.397 3.172 20 0 FGADHM CC(C)c1ccc(C(=O)[C@@H](C)OC(=O)c2sccc2-c2nnn[n-]2)cc1 ZINC000820518752 599658535 /nfs/dbraw/zinc/65/85/35/599658535.db2.gz KHBPGTCMPKRSGW-LLVKDONJSA-N -1 3 370.434 3.480 20 0 FGADHM O=C(OCc1cc(-c2nnn[n-]2)ccc1F)[C@@H]1CCSc2ccccc21 ZINC000823413894 599667824 /nfs/dbraw/zinc/66/78/24/599667824.db2.gz OXWYRFZCSYWKOI-CQSZACIVSA-N -1 3 370.409 3.329 20 0 FGADHM O=C(OCc1cc(-c2nn[n-]n2)ccc1F)[C@@H]1CCSc2ccccc21 ZINC000823413894 599667825 /nfs/dbraw/zinc/66/78/25/599667825.db2.gz OXWYRFZCSYWKOI-CQSZACIVSA-N -1 3 370.409 3.329 20 0 FGADHM C[C@@H](CCOc1ccccc1)C(=O)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000820249169 599672465 /nfs/dbraw/zinc/67/24/65/599672465.db2.gz SWLDFIDMQLYATG-AWEZNQCLSA-N -1 3 352.394 3.015 20 0 FGADHM C[C@@H](CCOc1ccccc1)C(=O)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000820249169 599672466 /nfs/dbraw/zinc/67/24/66/599672466.db2.gz SWLDFIDMQLYATG-AWEZNQCLSA-N -1 3 352.394 3.015 20 0 FGADHM C[C@H](NC(=O)NC1(c2ccccc2)CCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820357129 599673094 /nfs/dbraw/zinc/67/30/94/599673094.db2.gz FAEHEXYERPUQJZ-AWEZNQCLSA-N -1 3 362.437 3.306 20 0 FGADHM C[C@H](NC(=O)NC1(c2ccccc2)CCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820357129 599673095 /nfs/dbraw/zinc/67/30/95/599673095.db2.gz FAEHEXYERPUQJZ-AWEZNQCLSA-N -1 3 362.437 3.306 20 0 FGADHM CCC[C@]1(C)CCCN(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000821026865 599673905 /nfs/dbraw/zinc/67/39/05/599673905.db2.gz FLYDUYRYMUHCBF-GOSISDBHSA-N -1 3 360.437 3.118 20 0 FGADHM CCC[C@]1(C)CCCN(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000821026865 599673906 /nfs/dbraw/zinc/67/39/06/599673906.db2.gz FLYDUYRYMUHCBF-GOSISDBHSA-N -1 3 360.437 3.118 20 0 FGADHM CC(C)[C@H]1CCCC[C@@H]1NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820359754 599674108 /nfs/dbraw/zinc/67/41/08/599674108.db2.gz VFGVTWDSKQCJKS-XKQJLSEDSA-N -1 3 356.474 3.442 20 0 FGADHM CC(C)[C@H]1CCCC[C@@H]1NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820359754 599674109 /nfs/dbraw/zinc/67/41/09/599674109.db2.gz VFGVTWDSKQCJKS-XKQJLSEDSA-N -1 3 356.474 3.442 20 0 FGADHM CCC(C)(C)CC(=O)OCCOc1c(-c2nnn[n-]2)cnc2ccccc21 ZINC000820847985 599684325 /nfs/dbraw/zinc/68/43/25/599684325.db2.gz PLEACTJEQMSXSV-UHFFFAOYSA-N -1 3 369.425 3.163 20 0 FGADHM CCC(C)(C)CC(=O)OCCOc1c(-c2nn[n-]n2)cnc2ccccc21 ZINC000820847985 599684326 /nfs/dbraw/zinc/68/43/26/599684326.db2.gz PLEACTJEQMSXSV-UHFFFAOYSA-N -1 3 369.425 3.163 20 0 FGADHM C[C@H]1CCc2c(sc(NC(=O)c3ccncc3Cl)c2-c2nnn[n-]2)C1 ZINC000820735523 599689780 /nfs/dbraw/zinc/68/97/80/599689780.db2.gz SOHIAPYWQVRDDK-QMMMGPOBSA-N -1 3 374.857 3.354 20 0 FGADHM C[C@H]1CCc2c(sc(NC(=O)c3ccncc3Cl)c2-c2nn[n-]n2)C1 ZINC000820735523 599689781 /nfs/dbraw/zinc/68/97/81/599689781.db2.gz SOHIAPYWQVRDDK-QMMMGPOBSA-N -1 3 374.857 3.354 20 0 FGADHM Cc1ccc2c(CCC(=O)Nc3sccc3-c3nnn[n-]3)c[nH]c2c1 ZINC000822274576 599690178 /nfs/dbraw/zinc/69/01/78/599690178.db2.gz BNYYIHZWHYLPIR-UHFFFAOYSA-N -1 3 352.423 3.289 20 0 FGADHM Cc1ccc2c(CCC(=O)Nc3sccc3-c3nn[n-]n3)c[nH]c2c1 ZINC000822274576 599690179 /nfs/dbraw/zinc/69/01/79/599690179.db2.gz BNYYIHZWHYLPIR-UHFFFAOYSA-N -1 3 352.423 3.289 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NCc1ncc(-c2cccs2)o1 ZINC000821765764 599691628 /nfs/dbraw/zinc/69/16/28/599691628.db2.gz JUDHQTLIUXZEQD-UHFFFAOYSA-N -1 3 354.395 3.204 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NCc1ncc(-c2cccs2)o1 ZINC000821765764 599691629 /nfs/dbraw/zinc/69/16/29/599691629.db2.gz JUDHQTLIUXZEQD-UHFFFAOYSA-N -1 3 354.395 3.204 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)O[C@H](C(=O)c1ccccc1)C(C)C ZINC000826251772 607388128 /nfs/dbraw/zinc/38/81/28/607388128.db2.gz ZXUNWWXVUGLBCK-SFHVURJKSA-N -1 3 364.405 3.239 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)O[C@H](C(=O)c1ccccc1)C(C)C ZINC000826251772 607388130 /nfs/dbraw/zinc/38/81/30/607388130.db2.gz ZXUNWWXVUGLBCK-SFHVURJKSA-N -1 3 364.405 3.239 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCc1cc(F)cc2cccnc21 ZINC000826251955 607388499 /nfs/dbraw/zinc/38/84/99/607388499.db2.gz IKKDPQBNRBWNJU-UHFFFAOYSA-N -1 3 363.352 3.219 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCc1cc(F)cc2cccnc21 ZINC000826251955 607388501 /nfs/dbraw/zinc/38/85/01/607388501.db2.gz IKKDPQBNRBWNJU-UHFFFAOYSA-N -1 3 363.352 3.219 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCc1cc(-c2ccccc2)no1 ZINC000826252066 607388522 /nfs/dbraw/zinc/38/85/22/607388522.db2.gz MULHUDIECWHAIC-UHFFFAOYSA-N -1 3 361.361 3.187 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCc1cc(-c2ccccc2)no1 ZINC000826252066 607388524 /nfs/dbraw/zinc/38/85/24/607388524.db2.gz MULHUDIECWHAIC-UHFFFAOYSA-N -1 3 361.361 3.187 20 0 FGADHM CN(C)[C@H](CNC(=O)Nc1ccc(F)c(NC(=O)[O-])c1)Cc1ccccc1 ZINC000737359078 599716638 /nfs/dbraw/zinc/71/66/38/599716638.db2.gz RYMFIZPIXVPZKY-HNNXBMFYSA-N -1 3 374.416 3.210 20 0 FGADHM CC(C)CCO[C@H](C)C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000820076821 607397917 /nfs/dbraw/zinc/39/79/17/607397917.db2.gz UJSQMPLBQOHSAG-CYBMUJFWSA-N -1 3 361.446 3.044 20 0 FGADHM CC(C)CCO[C@H](C)C(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000820076821 607397918 /nfs/dbraw/zinc/39/79/18/607397918.db2.gz UJSQMPLBQOHSAG-CYBMUJFWSA-N -1 3 361.446 3.044 20 0 FGADHM CC(C)Oc1ccc(NC(=O)[C@H](C)Oc2ccccc2)cc1-c1nnn[n-]1 ZINC000820160103 607399709 /nfs/dbraw/zinc/39/97/09/607399709.db2.gz HCFHSYJFGJELRQ-ZDUSSCGKSA-N -1 3 367.409 3.060 20 0 FGADHM CC(C)Oc1ccc(NC(=O)[C@H](C)Oc2ccccc2)cc1-c1nn[n-]n1 ZINC000820160103 607399710 /nfs/dbraw/zinc/39/97/10/607399710.db2.gz HCFHSYJFGJELRQ-ZDUSSCGKSA-N -1 3 367.409 3.060 20 0 FGADHM O=C([O-])c1cccc(OCCN2CCC([C@@H](O)c3ccc(F)cc3)CC2)c1 ZINC000740232843 599867730 /nfs/dbraw/zinc/86/77/30/599867730.db2.gz YHUOMYBPCIIUBN-FQEVSTJZSA-N -1 3 373.424 3.348 20 0 FGADHM C[C@H](CN(CC(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1)C1CC1)C(=O)[O-] ZINC000736578519 599950738 /nfs/dbraw/zinc/95/07/38/599950738.db2.gz LQROGWINTRWRCA-MNOVXSKESA-N -1 3 373.280 3.356 20 0 FGADHM C[C@@H](CN(CC(=O)N[C@@H](c1cccs1)c1ccccc1)C1CC1)C(=O)[O-] ZINC000736577962 599951061 /nfs/dbraw/zinc/95/10/61/599951061.db2.gz IENRTHKIXKTMBH-IFXJQAMLSA-N -1 3 372.490 3.139 20 0 FGADHM COc1cccc([C@@H]2C[C@@H]2C(=O)OCc2ccc(-c3nnn[n-]3)cc2C)c1 ZINC000826215839 607409109 /nfs/dbraw/zinc/40/91/09/607409109.db2.gz ZSNXJSVMDAVYTH-ROUUACIJSA-N -1 3 364.405 3.031 20 0 FGADHM COc1cccc([C@@H]2C[C@@H]2C(=O)OCc2ccc(-c3nn[n-]n3)cc2C)c1 ZINC000826215839 607409110 /nfs/dbraw/zinc/40/91/10/607409110.db2.gz ZSNXJSVMDAVYTH-ROUUACIJSA-N -1 3 364.405 3.031 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)[C@H](C)Cc1cccc(F)c1 ZINC000826252701 607410790 /nfs/dbraw/zinc/41/07/90/607410790.db2.gz OPYKXBCDKTZKCW-CYBMUJFWSA-N -1 3 354.385 3.236 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)[C@H](C)Cc1cccc(F)c1 ZINC000826252701 607410792 /nfs/dbraw/zinc/41/07/92/607410792.db2.gz OPYKXBCDKTZKCW-CYBMUJFWSA-N -1 3 354.385 3.236 20 0 FGADHM Cc1cc(NC(=O)N2CCCN(Cc3ccccc3)CC2)ccc1C(=O)[O-] ZINC000323935333 600016704 /nfs/dbraw/zinc/01/67/04/600016704.db2.gz RNWHNGPMOZETOH-UHFFFAOYSA-N -1 3 367.449 3.433 20 0 FGADHM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCC(n2cc(Br)cn2)CC1 ZINC000736716582 600079962 /nfs/dbraw/zinc/07/99/62/600079962.db2.gz HNBRIJXIOMUNHL-JTQLQIEISA-N -1 3 368.231 3.335 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)c1cc2cccc(F)c2o1 ZINC000821745420 607419245 /nfs/dbraw/zinc/41/92/45/607419245.db2.gz VPQINPAYFIBFMH-UHFFFAOYSA-N -1 3 368.324 3.118 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)c1cc2cccc(F)c2o1 ZINC000821745420 607419247 /nfs/dbraw/zinc/41/92/47/607419247.db2.gz VPQINPAYFIBFMH-UHFFFAOYSA-N -1 3 368.324 3.118 20 0 FGADHM O=C(C/C=C\c1ccc(F)cc1)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826404494 607419438 /nfs/dbraw/zinc/41/94/38/607419438.db2.gz CBRKFXYNSBMZBG-IWQZZHSRSA-N -1 3 363.396 3.215 20 0 FGADHM O=C(C/C=C\c1ccc(F)cc1)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826404494 607419440 /nfs/dbraw/zinc/41/94/40/607419440.db2.gz CBRKFXYNSBMZBG-IWQZZHSRSA-N -1 3 363.396 3.215 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)C/C=C/c1ccc(F)cc1 ZINC000821741362 607420048 /nfs/dbraw/zinc/42/00/48/607420048.db2.gz LFBSCKCGCHXGGH-NSCUHMNNSA-N -1 3 368.368 3.161 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)C/C=C/c1ccc(F)cc1 ZINC000821741362 607420050 /nfs/dbraw/zinc/42/00/50/607420050.db2.gz LFBSCKCGCHXGGH-NSCUHMNNSA-N -1 3 368.368 3.161 20 0 FGADHM Cc1ccc(CC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)c(Cl)c1 ZINC000826286560 607422557 /nfs/dbraw/zinc/42/25/57/607422557.db2.gz HHFOYUGOCDPIIR-UHFFFAOYSA-N -1 3 367.840 3.177 20 0 FGADHM Cc1ccc(CC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)c(Cl)c1 ZINC000826286560 607422558 /nfs/dbraw/zinc/42/25/58/607422558.db2.gz HHFOYUGOCDPIIR-UHFFFAOYSA-N -1 3 367.840 3.177 20 0 FGADHM O=C(NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1cc2cc(F)ccc2o1 ZINC000826427787 607426549 /nfs/dbraw/zinc/42/65/49/607426549.db2.gz AVFKSASYVBQDCL-UHFFFAOYSA-N -1 3 363.352 3.171 20 0 FGADHM O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1cc2cc(F)ccc2o1 ZINC000826427787 607426550 /nfs/dbraw/zinc/42/65/50/607426550.db2.gz AVFKSASYVBQDCL-UHFFFAOYSA-N -1 3 363.352 3.171 20 0 FGADHM O=C(Cc1c(F)cccc1Cl)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826421535 607421496 /nfs/dbraw/zinc/42/14/96/607421496.db2.gz MOOGWAXKLKEMQK-UHFFFAOYSA-N -1 3 371.803 3.007 20 0 FGADHM O=C(Cc1c(F)cccc1Cl)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826421535 607421498 /nfs/dbraw/zinc/42/14/98/607421498.db2.gz MOOGWAXKLKEMQK-UHFFFAOYSA-N -1 3 371.803 3.007 20 0 FGADHM CC(C)(C)c1ncc(C(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)s1 ZINC000824142536 607421899 /nfs/dbraw/zinc/42/18/99/607421899.db2.gz WEOMZBSKHYXRTI-UHFFFAOYSA-N -1 3 368.466 3.040 20 0 FGADHM CC(C)(C)c1ncc(C(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)s1 ZINC000824142536 607421901 /nfs/dbraw/zinc/42/19/01/607421901.db2.gz WEOMZBSKHYXRTI-UHFFFAOYSA-N -1 3 368.466 3.040 20 0 FGADHM Cc1ccc(C[C@H]2CCCN2CC(=O)N(C)c2ccccc2C(=O)[O-])cc1 ZINC000738588347 600225340 /nfs/dbraw/zinc/22/53/40/600225340.db2.gz DFBJMGHBGUEPSH-GOSISDBHSA-N -1 3 366.461 3.363 20 0 FGADHM CC(C)Oc1ccc(NC(=O)N2CCC[C@@H]2C2CCC2)cc1-c1nnn[n-]1 ZINC000820164312 607430747 /nfs/dbraw/zinc/43/07/47/607430747.db2.gz HHMMBFWHIPMACM-MRXNPFEDSA-N -1 3 370.457 3.450 20 0 FGADHM CC(C)Oc1ccc(NC(=O)N2CCC[C@@H]2C2CCC2)cc1-c1nn[n-]n1 ZINC000820164312 607430748 /nfs/dbraw/zinc/43/07/48/607430748.db2.gz HHMMBFWHIPMACM-MRXNPFEDSA-N -1 3 370.457 3.450 20 0 FGADHM CCOC(=O)c1oc2ccccc2c1CN1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000737156160 600300273 /nfs/dbraw/zinc/30/02/73/600300273.db2.gz HEXWHIDTLFXJKG-HNNXBMFYSA-N -1 3 357.406 3.296 20 0 FGADHM C[C@H](NC(=O)[C@H](C)N1CCC2(C[C@@H]2C(=O)[O-])CC1)c1ccc(Cl)cc1 ZINC000736632172 600302919 /nfs/dbraw/zinc/30/29/19/600302919.db2.gz CRKACYWKDPDJSJ-HEHGZKQESA-N -1 3 364.873 3.092 20 0 FGADHM COc1ccccc1C[C@H](C)CC(=O)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826219670 607437275 /nfs/dbraw/zinc/43/72/75/607437275.db2.gz LYUADVTVAIFRHI-AWEZNQCLSA-N -1 3 365.437 3.107 20 0 FGADHM COc1ccccc1C[C@H](C)CC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826219670 607437276 /nfs/dbraw/zinc/43/72/76/607437276.db2.gz LYUADVTVAIFRHI-AWEZNQCLSA-N -1 3 365.437 3.107 20 0 FGADHM COc1ccccc1[C@@H](C)CC(=O)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826218399 607439281 /nfs/dbraw/zinc/43/92/81/607439281.db2.gz ASNKHVGYMARVFL-ZDUSSCGKSA-N -1 3 351.410 3.032 20 0 FGADHM COc1ccccc1[C@@H](C)CC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826218399 607439283 /nfs/dbraw/zinc/43/92/83/607439283.db2.gz ASNKHVGYMARVFL-ZDUSSCGKSA-N -1 3 351.410 3.032 20 0 FGADHM COc1ccccc1[C@H]1CCN(Cn2ncc3cc(C(=O)[O-])ccc32)C1 ZINC000738126459 600427933 /nfs/dbraw/zinc/42/79/33/600427933.db2.gz FRMVIOPKJMXCHJ-HNNXBMFYSA-N -1 3 351.406 3.190 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCCc2c(F)ccc(F)c21 ZINC000826245189 607443831 /nfs/dbraw/zinc/44/38/31/607443831.db2.gz QCZUUPVXJAJNOM-UHFFFAOYSA-N -1 3 355.348 3.046 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCCc2c(F)ccc(F)c21 ZINC000826245189 607443833 /nfs/dbraw/zinc/44/38/33/607443833.db2.gz QCZUUPVXJAJNOM-UHFFFAOYSA-N -1 3 355.348 3.046 20 0 FGADHM O=C(NC1CCCCCCC1)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826429594 607447313 /nfs/dbraw/zinc/44/73/13/607447313.db2.gz IKDYNPMTXRTZSU-UHFFFAOYSA-N -1 3 354.458 3.268 20 0 FGADHM O=C(NC1CCCCCCC1)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826429594 607447314 /nfs/dbraw/zinc/44/73/14/607447314.db2.gz IKDYNPMTXRTZSU-UHFFFAOYSA-N -1 3 354.458 3.268 20 0 FGADHM O=C(NCc1cccc(Cl)c1)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826442902 607447445 /nfs/dbraw/zinc/44/74/45/607447445.db2.gz OZCXLNFDWVSMFO-UHFFFAOYSA-N -1 3 368.828 3.009 20 0 FGADHM O=C(NCc1cccc(Cl)c1)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826442902 607447447 /nfs/dbraw/zinc/44/74/47/607447447.db2.gz OZCXLNFDWVSMFO-UHFFFAOYSA-N -1 3 368.828 3.009 20 0 FGADHM Cc1ccc(C(=O)[O-])cc1NC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000390667078 600525667 /nfs/dbraw/zinc/52/56/67/600525667.db2.gz RVYOGAWUCICGIF-GOSISDBHSA-N -1 3 367.449 3.479 20 0 FGADHM O=C([O-])c1cc(NC(=O)CC2(N3CCOCC3)CCCC2)ccc1Cl ZINC000738453213 600528084 /nfs/dbraw/zinc/52/80/84/600528084.db2.gz JAOFRZXUAYPDPT-UHFFFAOYSA-N -1 3 366.845 3.012 20 0 FGADHM O=C([O-])c1cccc(OCCN2CCC(Oc3ccc(F)cc3)CC2)c1 ZINC000577118231 600629854 /nfs/dbraw/zinc/62/98/54/600629854.db2.gz VACBQNIXHCHPAG-UHFFFAOYSA-N -1 3 359.397 3.446 20 0 FGADHM C[C@@H](CN(Cc1ccccc1)Cn1nccc1-c1cccnc1)C(=O)[O-] ZINC000736582217 600685250 /nfs/dbraw/zinc/68/52/50/600685250.db2.gz MBJXUGVWWBPEFJ-INIZCTEOSA-N -1 3 350.422 3.126 20 0 FGADHM O[C@H](C[C@@H]1CCCN1c1ccc(F)cc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000823674015 607468727 /nfs/dbraw/zinc/46/87/27/607468727.db2.gz OQTNPGHNVKNTMS-MAUKXSAKSA-N -1 3 371.391 3.237 20 0 FGADHM O[C@H](C[C@@H]1CCCN1c1ccc(F)cc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000823674015 607468729 /nfs/dbraw/zinc/46/87/29/607468729.db2.gz OQTNPGHNVKNTMS-MAUKXSAKSA-N -1 3 371.391 3.237 20 0 FGADHM O[C@@H](C[C@@H]1CCCN1c1ccc(F)cc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000823674017 607468764 /nfs/dbraw/zinc/46/87/64/607468764.db2.gz OQTNPGHNVKNTMS-YJBOKZPZSA-N -1 3 371.391 3.237 20 0 FGADHM O[C@@H](C[C@@H]1CCCN1c1ccc(F)cc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000823674017 607468766 /nfs/dbraw/zinc/46/87/66/607468766.db2.gz OQTNPGHNVKNTMS-YJBOKZPZSA-N -1 3 371.391 3.237 20 0 FGADHM Cc1ccc([C@H](CNC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)N2CCCC2)cc1 ZINC000832920382 600916474 /nfs/dbraw/zinc/91/64/74/600916474.db2.gz BAKJSBITBZWCPN-QRVBRYPASA-N -1 3 358.482 3.139 20 0 FGADHM O=C([O-])c1ccc(CNCc2ccc(I)cc2)cc1 ZINC000833313893 600983154 /nfs/dbraw/zinc/98/31/54/600983154.db2.gz GHFGEEPKMWEBJN-UHFFFAOYSA-N -1 3 367.186 3.279 20 0 FGADHM Cn1cc([C@H]2CCN([C@H](C(=O)[O-])c3ccc(Cl)cc3Cl)C2)cn1 ZINC000833043776 601013348 /nfs/dbraw/zinc/01/33/48/601013348.db2.gz WNTJFUDGZUMFFM-BONVTDFDSA-N -1 3 354.237 3.342 20 0 FGADHM C[C@H](CSCc1ccccc1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000820294027 607493880 /nfs/dbraw/zinc/49/38/80/607493880.db2.gz QIZVSNSFZLLIKY-CYBMUJFWSA-N -1 3 353.451 3.375 20 0 FGADHM C[C@H](CSCc1ccccc1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000820294027 607493881 /nfs/dbraw/zinc/49/38/81/607493881.db2.gz QIZVSNSFZLLIKY-CYBMUJFWSA-N -1 3 353.451 3.375 20 0 FGADHM C[C@H]1[C@H](c2ccccc2)CCN1CC(=O)NCc1ccc(NC(=O)[O-])cc1 ZINC000828150271 601328812 /nfs/dbraw/zinc/32/88/12/601328812.db2.gz PJGYTPLXBPNKJZ-HNAYVOBHSA-N -1 3 367.449 3.271 20 0 FGADHM Cc1cc(CN[C@@H](c2cnn(C)c2)C(C)(C)C)cc(C)c1OCC(=O)[O-] ZINC000832883401 601433921 /nfs/dbraw/zinc/43/39/21/601433921.db2.gz WIAFWIQDUNYBOK-IBGZPJMESA-N -1 3 359.470 3.377 20 0 FGADHM CN(C)Cc1cccc(C(=O)Nc2nc(C(C)(C)C)c(C(=O)[O-])s2)c1 ZINC000830619616 601443577 /nfs/dbraw/zinc/44/35/77/601443577.db2.gz GLCQPQRMQIMDSM-UHFFFAOYSA-N -1 3 361.467 3.453 20 0 FGADHM CCOC(=O)c1c(C)c2ccccc2nc1CN[C@@](C)(CC)CC(=O)[O-] ZINC000829873403 601556579 /nfs/dbraw/zinc/55/65/79/601556579.db2.gz PMAFTANUVYBTHJ-FQEVSTJZSA-N -1 3 358.438 3.453 20 0 FGADHM COc1ccc(CN2CCCN(Cc3ccc(C(=O)[O-])c(F)c3)CC2)cc1 ZINC000832314733 601616904 /nfs/dbraw/zinc/61/69/04/601616904.db2.gz NQKWDFLDGGDNQJ-UHFFFAOYSA-N -1 3 372.440 3.240 20 0 FGADHM C[C@@H](C(=O)[O-])[C@@H](NCC(=O)N(Cc1ccccc1)C1CC1)c1ccccc1 ZINC000826045696 601653002 /nfs/dbraw/zinc/65/30/02/601653002.db2.gz XHZNDLRCHZYVGZ-IIBYNOLFSA-N -1 3 366.461 3.229 20 0 FGADHM CCOc1ccc(NC(=O)CN[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])cc1 ZINC000830085369 601655613 /nfs/dbraw/zinc/65/56/13/601655613.db2.gz UZAZNEUCRYOBKC-AUUYWEPGSA-N -1 3 356.422 3.075 20 0 FGADHM c1ccc2oc([C@@H]3CCCCN3Cc3ccnc(-c4nnn[n-]4)c3)nc2c1 ZINC000826523901 607524787 /nfs/dbraw/zinc/52/47/87/607524787.db2.gz BFYPUKYZAMPGID-INIZCTEOSA-N -1 3 361.409 3.130 20 0 FGADHM c1ccc2oc([C@@H]3CCCCN3Cc3ccnc(-c4nn[n-]n4)c3)nc2c1 ZINC000826523901 607524790 /nfs/dbraw/zinc/52/47/90/607524790.db2.gz BFYPUKYZAMPGID-INIZCTEOSA-N -1 3 361.409 3.130 20 0 FGADHM CCOc1ccc(CN2Cc3ccccc3C[C@H]2C(=O)[O-])cc1OCC ZINC000830075400 601799123 /nfs/dbraw/zinc/79/91/23/601799123.db2.gz RWOYFFMAXPSFFC-SFHVURJKSA-N -1 3 355.434 3.496 20 0 FGADHM Cc1c(C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)cnn1CCC(C)C ZINC000826234873 607531305 /nfs/dbraw/zinc/53/13/05/607531305.db2.gz RSXMMEGXIINBMY-UHFFFAOYSA-N -1 3 373.848 3.323 20 0 FGADHM Cc1c(C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)cnn1CCC(C)C ZINC000826234873 607531306 /nfs/dbraw/zinc/53/13/06/607531306.db2.gz RSXMMEGXIINBMY-UHFFFAOYSA-N -1 3 373.848 3.323 20 0 FGADHM COc1ccc(CSC[C@@H]2OCCc3ccccc32)cc1-c1nnn[n-]1 ZINC000826207437 607533617 /nfs/dbraw/zinc/53/36/17/607533617.db2.gz NUQWGHOVICKZIZ-SFHVURJKSA-N -1 3 368.462 3.423 20 0 FGADHM COc1ccc(CSC[C@@H]2OCCc3ccccc32)cc1-c1nn[n-]n1 ZINC000826207437 607533619 /nfs/dbraw/zinc/53/36/19/607533619.db2.gz NUQWGHOVICKZIZ-SFHVURJKSA-N -1 3 368.462 3.423 20 0 FGADHM O=C([O-])[C@H](c1cc(Cl)cc(Cl)c1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000833170029 602042642 /nfs/dbraw/zinc/04/26/42/602042642.db2.gz DWJAOZKSMMMOCA-ABAIWWIYSA-N -1 3 369.252 3.123 20 0 FGADHM COc1ccc(Oc2cc(CNC[C@@H]3CCCN3C(=O)[O-])ccn2)cc1 ZINC000739930408 602050112 /nfs/dbraw/zinc/05/01/12/602050112.db2.gz TVAPXZKTHPKPFD-HNNXBMFYSA-N -1 3 357.410 3.115 20 0 FGADHM O=C([O-])CCNC(=O)CNC1(c2cccc(C(F)(F)F)c2)CCCCC1 ZINC000833236385 602051941 /nfs/dbraw/zinc/05/19/41/602051941.db2.gz CINOWTPLDIQXCF-UHFFFAOYSA-N -1 3 372.387 3.045 20 0 FGADHM Cc1nc([C@@H]2CCCN([C@H](C(=O)[O-])c3ccc(Cl)cc3Cl)C2)n[nH]1 ZINC000832997053 602234244 /nfs/dbraw/zinc/23/42/44/602234244.db2.gz OAIMEPGOFRATHG-YGRLFVJLSA-N -1 3 369.252 3.425 20 0 FGADHM Cc1n[nH]c([C@@H]2CCCN([C@H](C(=O)[O-])c3ccc(Cl)cc3Cl)C2)n1 ZINC000832997053 602234247 /nfs/dbraw/zinc/23/42/47/602234247.db2.gz OAIMEPGOFRATHG-YGRLFVJLSA-N -1 3 369.252 3.425 20 0 FGADHM COc1cc(OC)cc(N2CCCN([C@@H](C)c3ccc(C(=O)[O-])o3)CC2)c1 ZINC000832087846 602241646 /nfs/dbraw/zinc/24/16/46/602241646.db2.gz CZACTJYMXSFQKE-AWEZNQCLSA-N -1 3 374.437 3.268 20 0 FGADHM C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(Cc2occc2C(=O)[O-])C1 ZINC000827686451 602244265 /nfs/dbraw/zinc/24/42/65/602244265.db2.gz BHIAPTREZSMDKI-STQMWFEESA-N -1 3 352.431 3.103 20 0 FGADHM CCc1cc2c(ncnc2NCc2ccc(OC)c(-c3nnn[n-]3)c2)s1 ZINC000825700512 607557239 /nfs/dbraw/zinc/55/72/39/607557239.db2.gz IJRUOQIKFXIQMS-UHFFFAOYSA-N -1 3 367.438 3.055 20 0 FGADHM CCc1cc2c(ncnc2NCc2ccc(OC)c(-c3nn[n-]n3)c2)s1 ZINC000825700512 607557240 /nfs/dbraw/zinc/55/72/40/607557240.db2.gz IJRUOQIKFXIQMS-UHFFFAOYSA-N -1 3 367.438 3.055 20 0 FGADHM CN(C)CCN(CC1CCCCC1)C(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000739605884 602505025 /nfs/dbraw/zinc/50/50/25/602505025.db2.gz HGKMSJCMSCBBRM-UHFFFAOYSA-N -1 3 365.449 3.500 20 0 FGADHM CCC(=CC(=O)N(C)c1cccc(-c2nnn[n-]2)c1)c1ccc(OC)cc1 ZINC000825029253 607577257 /nfs/dbraw/zinc/57/72/57/607577257.db2.gz PRWXHIXNLSHPRS-YPKPFQOOSA-N -1 3 363.421 3.332 20 0 FGADHM CCC(=CC(=O)N(C)c1cccc(-c2nn[n-]n2)c1)c1ccc(OC)cc1 ZINC000825029253 607577259 /nfs/dbraw/zinc/57/72/59/607577259.db2.gz PRWXHIXNLSHPRS-YPKPFQOOSA-N -1 3 363.421 3.332 20 0 FGADHM CCN(CCCNCc1csc(-c2ccc3c(c2)OCO3)n1)C(=O)[O-] ZINC000739420574 602649244 /nfs/dbraw/zinc/64/92/44/602649244.db2.gz FXEUQCJFDLRWKD-UHFFFAOYSA-N -1 3 363.439 3.018 20 0 FGADHM COc1cc(CN(C)C[C@@H]2CCCN(C(=O)[O-])C2)c(SC)cc1OC ZINC000739856505 603067005 /nfs/dbraw/zinc/06/70/05/603067005.db2.gz BZLVNOCYMUEWCA-ZDUSSCGKSA-N -1 3 368.499 3.248 20 0 FGADHM COc1ccc(COC(=O)Cc2ccc(C)cc2Cl)cc1-c1nnn[n-]1 ZINC000826205765 607614091 /nfs/dbraw/zinc/61/40/91/607614091.db2.gz LSPHJMPCOGKGFJ-UHFFFAOYSA-N -1 3 372.812 3.123 20 0 FGADHM COc1ccc(COC(=O)Cc2ccc(C)cc2Cl)cc1-c1nn[n-]n1 ZINC000826205765 607614093 /nfs/dbraw/zinc/61/40/93/607614093.db2.gz LSPHJMPCOGKGFJ-UHFFFAOYSA-N -1 3 372.812 3.123 20 0 FGADHM CN(C)C[C@@H](NC(=O)c1ccc(NC(=O)[O-])cc1Cl)c1ccccc1 ZINC000739606347 603207947 /nfs/dbraw/zinc/20/79/47/603207947.db2.gz HIHWYUQXPNDBQC-MRXNPFEDSA-N -1 3 361.829 3.463 20 0 FGADHM Cc1ccc([C@H](CNC(=O)[C@@H]2CCC[C@@H](NC(=O)[O-])C2)N2CCCC2)cc1 ZINC000740116770 603251095 /nfs/dbraw/zinc/25/10/95/603251095.db2.gz GCVUUMDLQHPWRS-QRVBRYPASA-N -1 3 373.497 3.075 20 0 FGADHM Cc1ccc(NC(=O)C[C@@H](Cc2ccccc2)NC(=O)[O-])c(CN(C)C)c1 ZINC000830363587 603617337 /nfs/dbraw/zinc/61/73/37/603617337.db2.gz IAHCVPGPLBWRME-GOSISDBHSA-N -1 3 369.465 3.264 20 0 FGADHM CN(C)C(=O)Sc1ccc(CN2CCC[C@@H](CN(C)C(=O)[O-])C2)cc1 ZINC000827974831 603734702 /nfs/dbraw/zinc/73/47/02/603734702.db2.gz GXJQNMRFSMIQPA-HNNXBMFYSA-N -1 3 365.499 3.282 20 0 FGADHM CN(C)CCN(Cc1cccs1)C(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000828030864 603783665 /nfs/dbraw/zinc/78/36/65/603783665.db2.gz LLCSNAOQGXNIAU-UHFFFAOYSA-N -1 3 365.430 3.181 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NCCSc1ccc(Cl)cc1 ZINC000826248319 607650090 /nfs/dbraw/zinc/65/00/90/607650090.db2.gz DHLBUMKXBDMGLZ-UHFFFAOYSA-N -1 3 373.869 3.351 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NCCSc1ccc(Cl)cc1 ZINC000826248319 607650092 /nfs/dbraw/zinc/65/00/92/607650092.db2.gz DHLBUMKXBDMGLZ-UHFFFAOYSA-N -1 3 373.869 3.351 20 0 FGADHM CCOc1ccccc1[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000825654369 607659346 /nfs/dbraw/zinc/65/93/46/607659346.db2.gz YYQHWXOSPKDTEH-CYBMUJFWSA-N -1 3 351.410 3.065 20 0 FGADHM CCOc1ccccc1[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000825654369 607659348 /nfs/dbraw/zinc/65/93/48/607659348.db2.gz YYQHWXOSPKDTEH-CYBMUJFWSA-N -1 3 351.410 3.065 20 0 FGADHM Cc1ccc(C(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)cc1NC(=O)[O-] ZINC000830205821 603967048 /nfs/dbraw/zinc/96/70/48/603967048.db2.gz TXBRHXLMGBSSSP-QAPCUYQASA-N -1 3 367.449 3.478 20 0 FGADHM C[C@@H]1C[C@@H](NC(=O)c2cccc(NC(=O)[O-])c2)CN1Cc1ccccc1 ZINC000825851101 603967163 /nfs/dbraw/zinc/96/71/63/603967163.db2.gz GHVUQKLMDKIABI-RDTXWAMCSA-N -1 3 353.422 3.169 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCC[C@@H]1CCc1ccccc1 ZINC000826245124 607666531 /nfs/dbraw/zinc/66/65/31/607666531.db2.gz OGOCMPGYBARMSD-GOSISDBHSA-N -1 3 361.449 3.413 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCC[C@@H]1CCc1ccccc1 ZINC000826245124 607666533 /nfs/dbraw/zinc/66/65/33/607666533.db2.gz OGOCMPGYBARMSD-GOSISDBHSA-N -1 3 361.449 3.413 20 0 FGADHM COc1ccccc1[C@@H](NC(=O)[O-])C(=O)Nc1cc(CN(C)C)ccc1C ZINC000829611811 604084093 /nfs/dbraw/zinc/08/40/93/604084093.db2.gz VEXDLTVFRQGGIU-GOSISDBHSA-N -1 3 371.437 3.013 20 0 FGADHM Clc1cc(C=Cc2cn[nH]c2)c(-c2nnn[n-]2)c2nc3ccccc3n21 ZINC000826350935 607682020 /nfs/dbraw/zinc/68/20/20/607682020.db2.gz QUNLHXJXNWSFCR-AATRIKPKSA-N -1 3 362.784 3.215 20 0 FGADHM Clc1cc(C=Cc2cn[nH]c2)c(-c2nn[n-]n2)c2nc3ccccc3n21 ZINC000826350935 607682022 /nfs/dbraw/zinc/68/20/22/607682022.db2.gz QUNLHXJXNWSFCR-AATRIKPKSA-N -1 3 362.784 3.215 20 0 FGADHM C[C@H](NC(=O)[O-])c1ccc(NC(=O)N2CCN(C3CCCCC3)CC2)cc1 ZINC000825427098 604345547 /nfs/dbraw/zinc/34/55/47/604345547.db2.gz OVIUBUZTKDKGHZ-HNNXBMFYSA-N -1 3 374.485 3.497 20 0 FGADHM Cc1c([C@H](C)NC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])nnn1-c1ccc(C)cc1 ZINC000830171526 604375772 /nfs/dbraw/zinc/37/57/72/604375772.db2.gz VNLHOIQBFYJDHE-ZVRJUHEZSA-N -1 3 369.469 3.208 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccc2c(cnn2C(C)C)c1 ZINC000826250259 607693202 /nfs/dbraw/zinc/69/32/02/607693202.db2.gz ROHFBPWUYHQERP-UHFFFAOYSA-N -1 3 361.409 3.358 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccc2c(cnn2C(C)C)c1 ZINC000826250259 607693204 /nfs/dbraw/zinc/69/32/04/607693204.db2.gz ROHFBPWUYHQERP-UHFFFAOYSA-N -1 3 361.409 3.358 20 0 FGADHM CN(Cc1ccc(OCC(F)(F)F)nc1)[C@H](C(=O)[O-])c1ccccc1 ZINC000830840827 604476945 /nfs/dbraw/zinc/47/69/45/604476945.db2.gz SDXSJSVUJROADN-HNNXBMFYSA-N -1 3 354.328 3.280 20 0 FGADHM C[C@H](c1ccccc1)N1CC[C@H](NC(=O)Nc2cc(C(=O)[O-])cs2)C1 ZINC000827949319 604487623 /nfs/dbraw/zinc/48/76/23/604487623.db2.gz KPKINPMLUYMRJB-DOMZBBRYSA-N -1 3 359.451 3.403 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1c(C)cc(N(C)C)cc1C ZINC000826249448 607776223 /nfs/dbraw/zinc/77/62/23/607776223.db2.gz DDFOYAFENZTTIZ-UHFFFAOYSA-N -1 3 350.426 3.110 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1c(C)cc(N(C)C)cc1C ZINC000826249448 607776224 /nfs/dbraw/zinc/77/62/24/607776224.db2.gz DDFOYAFENZTTIZ-UHFFFAOYSA-N -1 3 350.426 3.110 20 0 FGADHM CSCc1cc(F)ccc1CNC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000826228848 607702916 /nfs/dbraw/zinc/70/29/16/607702916.db2.gz CYMXAIRSYKLZQY-UHFFFAOYSA-N -1 3 371.441 3.107 20 0 FGADHM CSCc1cc(F)ccc1CNC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000826228848 607702918 /nfs/dbraw/zinc/70/29/18/607702918.db2.gz CYMXAIRSYKLZQY-UHFFFAOYSA-N -1 3 371.441 3.107 20 0 FGADHM O=C(Nc1cccc(COc2ccccc2)c1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826456612 607703335 /nfs/dbraw/zinc/70/33/35/607703335.db2.gz OFXFHJMLWLTURT-UHFFFAOYSA-N -1 3 360.377 3.026 20 0 FGADHM O=C(Nc1cccc(COc2ccccc2)c1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826456612 607703337 /nfs/dbraw/zinc/70/33/37/607703337.db2.gz OFXFHJMLWLTURT-UHFFFAOYSA-N -1 3 360.377 3.026 20 0 FGADHM CCn1c(CNC2(c3cccc(-c4nn[n-]n4)c3)CC2)nc2ccccc21 ZINC000825787437 607704213 /nfs/dbraw/zinc/70/42/13/607704213.db2.gz GIJDDIUTXFFRBJ-UHFFFAOYSA-N -1 3 359.437 3.015 20 0 FGADHM O=C([O-])[C@@H]1CC12CCN(Cc1cnn(Cc3ccccc3Cl)c1)CC2 ZINC000833772013 604648169 /nfs/dbraw/zinc/64/81/69/604648169.db2.gz WXGFSWBKUIPRNU-INIZCTEOSA-N -1 3 359.857 3.272 20 0 FGADHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)OCCCCC(F)(F)F ZINC000824176902 607708486 /nfs/dbraw/zinc/70/84/86/607708486.db2.gz CHAHKSFMOXXYHL-UHFFFAOYSA-N -1 3 372.347 3.300 20 0 FGADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OCCCCC(F)(F)F ZINC000824176902 607708488 /nfs/dbraw/zinc/70/84/88/607708488.db2.gz CHAHKSFMOXXYHL-UHFFFAOYSA-N -1 3 372.347 3.300 20 0 FGADHM Cc1cc(C)c(-c2nnn[n-]2)c(SCc2nc(C3CCCC3)no2)n1 ZINC000826263195 607708937 /nfs/dbraw/zinc/70/89/37/607708937.db2.gz PFUHIIMTAJTMEH-UHFFFAOYSA-N -1 3 357.443 3.211 20 0 FGADHM Cc1cc(C)c(-c2nn[n-]n2)c(SCc2nc(C3CCCC3)no2)n1 ZINC000826263195 607708939 /nfs/dbraw/zinc/70/89/39/607708939.db2.gz PFUHIIMTAJTMEH-UHFFFAOYSA-N -1 3 357.443 3.211 20 0 FGADHM Cc1nc(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)CC(C)C)c(C)s1 ZINC000826323113 607712235 /nfs/dbraw/zinc/71/22/35/607712235.db2.gz QTENZVICPBONSM-UHFFFAOYSA-N -1 3 370.482 3.238 20 0 FGADHM Cc1nc(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)CC(C)C)c(C)s1 ZINC000826323113 607712237 /nfs/dbraw/zinc/71/22/37/607712237.db2.gz QTENZVICPBONSM-UHFFFAOYSA-N -1 3 370.482 3.238 20 0 FGADHM CCn1nc(C)c([C@@H](C)NC[C@@H](NC(=O)[O-])c2ccccc2OC)c1C ZINC000827716570 604759517 /nfs/dbraw/zinc/75/95/17/604759517.db2.gz BPRHSALIWLYSJU-MLGOLLRUSA-N -1 3 360.458 3.188 20 0 FGADHM C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1Cc1ccc(C(=O)[O-])cc1F ZINC000833594643 604767542 /nfs/dbraw/zinc/76/75/42/604767542.db2.gz FHPMSQDNUOXSPU-CHWSQXEVSA-N -1 3 366.433 3.259 20 0 FGADHM O=C([O-])c1ccc(C(=O)NC[C@H](c2ccccc2)N2CCCC2)cc1F ZINC000833133301 604915219 /nfs/dbraw/zinc/91/52/19/604915219.db2.gz JGFLGTSFHLZNDA-GOSISDBHSA-N -1 3 356.397 3.091 20 0 FGADHM O=C([O-])C[C@H]1CCCN1Cn1ccc(-c2ccc(Br)cc2)n1 ZINC000833211852 604983544 /nfs/dbraw/zinc/98/35/44/604983544.db2.gz OPYZVNCHIASTPW-CQSZACIVSA-N -1 3 364.243 3.209 20 0 FGADHM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000833417538 604994688 /nfs/dbraw/zinc/99/46/88/604994688.db2.gz UPLZEEZGWLTAFK-SFHVURJKSA-N -1 3 358.482 3.245 20 0 FGADHM O=C(c1ccc(-c2nnn[n-]2)[nH]1)N(Cc1ccccc1)C1CCCCC1 ZINC000826470974 607735409 /nfs/dbraw/zinc/73/54/09/607735409.db2.gz JQKRUDNEFVUGGK-UHFFFAOYSA-N -1 3 350.426 3.170 20 0 FGADHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N(Cc1ccccc1)C1CCCCC1 ZINC000826470974 607735410 /nfs/dbraw/zinc/73/54/10/607735410.db2.gz JQKRUDNEFVUGGK-UHFFFAOYSA-N -1 3 350.426 3.170 20 0 FGADHM CCN1C[C@@H](C)N(Cc2csc(-c3cccc(C(=O)[O-])c3)n2)C[C@H]1C ZINC000833656193 605144598 /nfs/dbraw/zinc/14/45/98/605144598.db2.gz IPVWYTHEFAIPTO-ZIAGYGMSSA-N -1 3 359.495 3.423 20 0 FGADHM CC(C)C[C@H](NCC(=O)N1CCC(C(=O)[O-])CC1)c1ccc(Cl)cc1 ZINC000833483347 605145419 /nfs/dbraw/zinc/14/54/19/605145419.db2.gz IXWLCHIWCDEHCH-KRWDZBQOSA-N -1 3 366.889 3.340 20 0 FGADHM CC[C@@H](C)OCC(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000825074353 607741111 /nfs/dbraw/zinc/74/11/11/607741111.db2.gz GWDGEQFEDGIEOA-GFCCVEGCSA-N -1 3 371.466 3.027 20 0 FGADHM Cn1ccnc1[C@@H]1CCN([C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)C1 ZINC000833760112 605220006 /nfs/dbraw/zinc/22/00/06/605220006.db2.gz LYUCZKOEAAKYIA-YGRLFVJLSA-N -1 3 354.237 3.342 20 0 FGADHM CN(C)C(=O)CC1CCN([C@@H](C(=O)[O-])c2ccccc2C(F)(F)F)CC1 ZINC000833687818 605269432 /nfs/dbraw/zinc/26/94/32/605269432.db2.gz WDXIUMXIDSPAMP-MRXNPFEDSA-N -1 3 372.387 3.021 20 0 FGADHM COc1ccc(CNC(=O)C=C2CCC(C)(C)CC2)cc1-c1nnn[n-]1 ZINC000826196555 607755093 /nfs/dbraw/zinc/75/50/93/607755093.db2.gz GMDWSUKCQNXZNM-UHFFFAOYSA-N -1 3 355.442 3.018 20 0 FGADHM COc1ccc(CNC(=O)C=C2CCC(C)(C)CC2)cc1-c1nn[n-]n1 ZINC000826196555 607755094 /nfs/dbraw/zinc/75/50/94/607755094.db2.gz GMDWSUKCQNXZNM-UHFFFAOYSA-N -1 3 355.442 3.018 20 0 FGADHM COc1ccc(CNC(=O)C[C@@H]2CCCCC2(C)C)cc1-c1nnn[n-]1 ZINC000826196728 607755101 /nfs/dbraw/zinc/75/51/01/607755101.db2.gz MKYOANKKJFGNFP-AWEZNQCLSA-N -1 3 357.458 3.098 20 0 FGADHM COc1ccc(CNC(=O)C[C@@H]2CCCCC2(C)C)cc1-c1nn[n-]n1 ZINC000826196728 607755102 /nfs/dbraw/zinc/75/51/02/607755102.db2.gz MKYOANKKJFGNFP-AWEZNQCLSA-N -1 3 357.458 3.098 20 0 FGADHM O=C([O-])N[C@@H]1CCC[C@@H]2CN(Cc3coc(-c4cccc(F)c4)n3)C[C@@H]21 ZINC000834184747 605448772 /nfs/dbraw/zinc/44/87/72/605448772.db2.gz RKVBFAAONUIYGR-XOKHGSTOSA-N -1 3 359.401 3.349 20 0 FGADHM C[C@H]1CC[C@@H](NC(=O)NCc2cccc(-c3nnn[n-]3)c2)c2ccccc21 ZINC000824915554 607756875 /nfs/dbraw/zinc/75/68/75/607756875.db2.gz GGPDMHCDLPSOCZ-SCLBCKFNSA-N -1 3 362.437 3.305 20 0 FGADHM C[C@H]1CC[C@@H](NC(=O)NCc2cccc(-c3nn[n-]n3)c2)c2ccccc21 ZINC000824915554 607756876 /nfs/dbraw/zinc/75/68/76/607756876.db2.gz GGPDMHCDLPSOCZ-SCLBCKFNSA-N -1 3 362.437 3.305 20 0 FGADHM O=C([O-])N1CCC[C@@H]1[C@H]1CCCN(Cc2ccc(N3CCCC3)nc2)C1 ZINC000834104118 605468301 /nfs/dbraw/zinc/46/83/01/605468301.db2.gz CRHIGDGNSSVGRI-ZWKOTPCHSA-N -1 3 358.486 3.036 20 0 FGADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cc2cc(O)ccc2Br)C1 ZINC000833419937 605553277 /nfs/dbraw/zinc/55/32/77/605553277.db2.gz KEYUCCCUYDVPAO-GFCCVEGCSA-N -1 3 356.260 3.478 20 0 FGADHM O=C([O-])NC[C@H]1CCCN(Cc2ccccc2OCc2ccccn2)C1 ZINC000834217011 605554728 /nfs/dbraw/zinc/55/47/28/605554728.db2.gz VCHQALQFURHUJF-MRXNPFEDSA-N -1 3 355.438 3.140 20 0 FGADHM CC(C)(COc1ncccc1C(F)(F)F)NCc1cc(C(=O)[O-])co1 ZINC000833462042 605555971 /nfs/dbraw/zinc/55/59/71/605555971.db2.gz SQJOQAQCHAJXKA-UHFFFAOYSA-N -1 3 358.316 3.339 20 0 FGADHM O=C(Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)c1ccccc1F ZINC000826459311 607769052 /nfs/dbraw/zinc/76/90/52/607769052.db2.gz FGSBUXNPSHHAHT-UHFFFAOYSA-N -1 3 366.381 3.382 20 0 FGADHM O=C(Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)c1ccccc1F ZINC000826459311 607769053 /nfs/dbraw/zinc/76/90/53/607769053.db2.gz FGSBUXNPSHHAHT-UHFFFAOYSA-N -1 3 366.381 3.382 20 0 FGADHM CSCCCCC(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000826228076 607769748 /nfs/dbraw/zinc/76/97/48/607769748.db2.gz DKEWRGRHAOCSBF-UHFFFAOYSA-N -1 3 374.495 3.462 20 0 FGADHM CSCCCCC(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826228076 607769749 /nfs/dbraw/zinc/76/97/49/607769749.db2.gz DKEWRGRHAOCSBF-UHFFFAOYSA-N -1 3 374.495 3.462 20 0 FGADHM O=C([O-])N[C@H]1C[C@H](NCc2cccc(N3CCOC3=O)c2)c2ccccc21 ZINC000834156816 605794670 /nfs/dbraw/zinc/79/46/70/605794670.db2.gz DJSWHRPDUNPWDL-ROUUACIJSA-N -1 3 367.405 3.187 20 0 FGADHM O=C([O-])N[C@H]1C[C@H](NCCNC(=O)c2ccccc2Cl)c2ccccc21 ZINC000834157886 605799959 /nfs/dbraw/zinc/79/99/59/605799959.db2.gz JAQTXZLRHFDVMB-IRXDYDNUSA-N -1 3 373.840 3.113 20 0 FGADHM O=C([O-])Cc1ccc(OC(=O)C2CCN(Cc3ccccc3)CC2)c(F)c1 ZINC000833776971 605800944 /nfs/dbraw/zinc/80/09/44/605800944.db2.gz VEUIINCEOFXAGP-UHFFFAOYSA-N -1 3 371.408 3.270 20 0 FGADHM C[C@@H]1CN(C[C@@H]2CCCN2Cc2cc(C(=O)[O-])ccc2Cl)C[C@@H](C)O1 ZINC000833626664 605831497 /nfs/dbraw/zinc/83/14/97/605831497.db2.gz ORLWAGIYOPXKBJ-CPUCHLNUSA-N -1 3 366.889 3.112 20 0 FGADHM COc1ccccc1[C@H](CC(C)C)NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821882430 606105223 /nfs/dbraw/zinc/10/52/23/606105223.db2.gz AIVVVDBAHCYJGP-KRWDZBQOSA-N -1 3 365.437 3.393 20 0 FGADHM COc1ccccc1[C@H](CC(C)C)NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821882430 606105225 /nfs/dbraw/zinc/10/52/25/606105225.db2.gz AIVVVDBAHCYJGP-KRWDZBQOSA-N -1 3 365.437 3.393 20 0 FGADHM CSCc1cc(C(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)ccc1F ZINC000821971159 606108477 /nfs/dbraw/zinc/10/84/77/606108477.db2.gz YBABUKRCADRCHT-LLVKDONJSA-N -1 3 371.441 3.360 20 0 FGADHM CSCc1cc(C(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)ccc1F ZINC000821971159 606108479 /nfs/dbraw/zinc/10/84/79/606108479.db2.gz YBABUKRCADRCHT-LLVKDONJSA-N -1 3 371.441 3.360 20 0 FGADHM CSCc1cc(C(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)ccc1F ZINC000821971160 606108586 /nfs/dbraw/zinc/10/85/86/606108586.db2.gz YBABUKRCADRCHT-NSHDSACASA-N -1 3 371.441 3.360 20 0 FGADHM CSCc1cc(C(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)ccc1F ZINC000821971160 606108588 /nfs/dbraw/zinc/10/85/88/606108588.db2.gz YBABUKRCADRCHT-NSHDSACASA-N -1 3 371.441 3.360 20 0 FGADHM O=C(OCc1ncc(-c2cccc(F)c2)o1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823440438 606130386 /nfs/dbraw/zinc/13/03/86/606130386.db2.gz UABYOMYCZFTXFN-UHFFFAOYSA-N -1 3 365.324 3.018 20 0 FGADHM O=C(OCc1ncc(-c2cccc(F)c2)o1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823440438 606130387 /nfs/dbraw/zinc/13/03/87/606130387.db2.gz UABYOMYCZFTXFN-UHFFFAOYSA-N -1 3 365.324 3.018 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)C/C=C\c1ccc(F)cc1 ZINC000821699486 606151140 /nfs/dbraw/zinc/15/11/40/606151140.db2.gz RSHVZURLNQJCPQ-IHWYPQMZSA-N -1 3 354.341 3.023 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)C/C=C\c1ccc(F)cc1 ZINC000821699486 606151142 /nfs/dbraw/zinc/15/11/42/606151142.db2.gz RSHVZURLNQJCPQ-IHWYPQMZSA-N -1 3 354.341 3.023 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N(C[C@H]1CCCO1)C1CCCC1 ZINC000822217404 606152529 /nfs/dbraw/zinc/15/25/29/606152529.db2.gz CUDAXCSDPPLUEH-MRXNPFEDSA-N -1 3 370.457 3.131 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N(C[C@H]1CCCO1)C1CCCC1 ZINC000822217404 606152530 /nfs/dbraw/zinc/15/25/30/606152530.db2.gz CUDAXCSDPPLUEH-MRXNPFEDSA-N -1 3 370.457 3.131 20 0 FGADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)c1c(Cl)cccc1Cl ZINC000823237721 606152587 /nfs/dbraw/zinc/15/25/87/606152587.db2.gz ABKCFYIFOSJFAQ-UHFFFAOYSA-N -1 3 366.183 3.243 20 0 FGADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)c1c(Cl)cccc1Cl ZINC000823237721 606152589 /nfs/dbraw/zinc/15/25/89/606152589.db2.gz ABKCFYIFOSJFAQ-UHFFFAOYSA-N -1 3 366.183 3.243 20 0 FGADHM O=C(OCCc1c(F)cccc1Cl)c1sccc1-c1nnn[n-]1 ZINC000823410408 606168547 /nfs/dbraw/zinc/16/85/47/606168547.db2.gz VTVJTGXCMVCQRC-UHFFFAOYSA-N -1 3 352.778 3.120 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)ccc1OCc1csc([C@H](C)OC)n1 ZINC000821394443 606170202 /nfs/dbraw/zinc/17/02/02/606170202.db2.gz KAVSQUPSPOKNQJ-JTQLQIEISA-N -1 3 361.427 3.008 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)ccc1OCc1csc([C@H](C)OC)n1 ZINC000821394443 606170203 /nfs/dbraw/zinc/17/02/03/606170203.db2.gz KAVSQUPSPOKNQJ-JTQLQIEISA-N -1 3 361.427 3.008 20 0 FGADHM CC[C@H]1CCCCN1C(=O)CSCc1ccc(F)cc1-c1nnn[n-]1 ZINC000820980706 606179712 /nfs/dbraw/zinc/17/97/12/606179712.db2.gz MTASFEYHJOKUBN-AWEZNQCLSA-N -1 3 363.462 3.030 20 0 FGADHM CC[C@H]1CCCCN1C(=O)CSCc1ccc(F)cc1-c1nn[n-]n1 ZINC000820980706 606179713 /nfs/dbraw/zinc/17/97/13/606179713.db2.gz MTASFEYHJOKUBN-AWEZNQCLSA-N -1 3 363.462 3.030 20 0 FGADHM C[C@H]1Sc2ccccc2N(C(=O)Cc2cccc(-c3nnn[n-]3)c2)[C@H]1C ZINC000820819821 606191195 /nfs/dbraw/zinc/19/11/95/606191195.db2.gz LFLGPZWYMXUCNQ-QWHCGFSZSA-N -1 3 365.462 3.325 20 0 FGADHM C[C@H]1Sc2ccccc2N(C(=O)Cc2cccc(-c3nn[n-]n3)c2)[C@H]1C ZINC000820819821 606191197 /nfs/dbraw/zinc/19/11/97/606191197.db2.gz LFLGPZWYMXUCNQ-QWHCGFSZSA-N -1 3 365.462 3.325 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cccc(N(C)C)c1 ZINC000821123419 606192867 /nfs/dbraw/zinc/19/28/67/606192867.db2.gz RIBWEALDTLAKKT-UHFFFAOYSA-N -1 3 365.441 3.007 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)Cc1cccc(C)c1 ZINC000821123041 606192875 /nfs/dbraw/zinc/19/28/75/606192875.db2.gz IRXCXFIUMZNURW-UHFFFAOYSA-N -1 3 350.426 3.178 20 0 FGADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1)c1ccc(-c2nc(C3CC3)no2)cc1 ZINC000823444438 606208355 /nfs/dbraw/zinc/20/83/55/606208355.db2.gz MYWBFDYIKFYXJW-UHFFFAOYSA-N -1 3 374.360 3.013 20 0 FGADHM Fc1ccc(Br)c(CNCc2cc(-c3nnn[n-]3)cs2)c1 ZINC000822761982 606212050 /nfs/dbraw/zinc/21/20/50/606212050.db2.gz XENWGDLUUHRFMV-UHFFFAOYSA-N -1 3 368.235 3.120 20 0 FGADHM Fc1ccc(Br)c(CNCc2cc(-c3nn[n-]n3)cs2)c1 ZINC000822761982 606212052 /nfs/dbraw/zinc/21/20/52/606212052.db2.gz XENWGDLUUHRFMV-UHFFFAOYSA-N -1 3 368.235 3.120 20 0 FGADHM CN(Cc1nc2ccccc2n1C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821618014 606221749 /nfs/dbraw/zinc/22/17/49/606221749.db2.gz MEBRCOXVYGFJPY-UHFFFAOYSA-N -1 3 353.817 3.043 20 0 FGADHM CN(Cc1nc2ccccc2n1C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821618014 606221751 /nfs/dbraw/zinc/22/17/51/606221751.db2.gz MEBRCOXVYGFJPY-UHFFFAOYSA-N -1 3 353.817 3.043 20 0 FGADHM Cc1nc(-c2ccccc2)oc1C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000822418820 606263293 /nfs/dbraw/zinc/26/32/93/606263293.db2.gz GQOJPYSXNUOVIV-UHFFFAOYSA-N -1 3 364.340 3.222 20 0 FGADHM Cc1nc(-c2ccccc2)oc1C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000822418820 606263295 /nfs/dbraw/zinc/26/32/95/606263295.db2.gz GQOJPYSXNUOVIV-UHFFFAOYSA-N -1 3 364.340 3.222 20 0 FGADHM CC(C)(C)n1nc(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)cc1C1CC1 ZINC000819976630 606264635 /nfs/dbraw/zinc/26/46/35/606264635.db2.gz ZSMWZMRAOJBDMZ-UHFFFAOYSA-N -1 3 369.404 3.087 20 0 FGADHM CC(C)(C)n1nc(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)cc1C1CC1 ZINC000819976630 606264637 /nfs/dbraw/zinc/26/46/37/606264637.db2.gz ZSMWZMRAOJBDMZ-UHFFFAOYSA-N -1 3 369.404 3.087 20 0 FGADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1Cc2ccccc2-c2ccccc2C1 ZINC000823466404 606267370 /nfs/dbraw/zinc/26/73/70/606267370.db2.gz LPWOODYHPNVXSI-UHFFFAOYSA-N -1 3 356.389 3.018 20 0 FGADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1Cc2ccccc2-c2ccccc2C1 ZINC000823466404 606267372 /nfs/dbraw/zinc/26/73/72/606267372.db2.gz LPWOODYHPNVXSI-UHFFFAOYSA-N -1 3 356.389 3.018 20 0 FGADHM Cc1nc(C)c(NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)s1 ZINC000822432055 606274090 /nfs/dbraw/zinc/27/40/90/606274090.db2.gz UXUDCGKPEWDJIT-UHFFFAOYSA-N -1 3 372.454 3.128 20 0 FGADHM Cc1nc(C)c(NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)s1 ZINC000822432055 606274091 /nfs/dbraw/zinc/27/40/91/606274091.db2.gz UXUDCGKPEWDJIT-UHFFFAOYSA-N -1 3 372.454 3.128 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cccc2ncccc21 ZINC000821123672 606282072 /nfs/dbraw/zinc/28/20/72/606282072.db2.gz UVNQSMVWCUWVOI-UHFFFAOYSA-N -1 3 373.420 3.489 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)C[C@H](C)c1cccnc1 ZINC000821118406 606282518 /nfs/dbraw/zinc/28/25/18/606282518.db2.gz MELXBXMIKZNUFS-ZDUSSCGKSA-N -1 3 365.441 3.216 20 0 FGADHM COC(=O)[C@H](Nc1ccc(C)c(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000821644874 606297352 /nfs/dbraw/zinc/29/73/52/606297352.db2.gz LKUDKXLVSSSROE-OAHLLOKOSA-N -1 3 357.801 3.155 20 0 FGADHM COC(=O)[C@H](Nc1ccc(C)c(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000821644874 606297353 /nfs/dbraw/zinc/29/73/53/606297353.db2.gz LKUDKXLVSSSROE-OAHLLOKOSA-N -1 3 357.801 3.155 20 0 FGADHM COC(=O)[C@@H](Nc1ccc(CSC)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000821645386 606305933 /nfs/dbraw/zinc/30/59/33/606305933.db2.gz YCPZZVFDRZCTFS-INIZCTEOSA-N -1 3 369.450 3.056 20 0 FGADHM COC(=O)[C@@H](Nc1ccc(CSC)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000821645386 606305934 /nfs/dbraw/zinc/30/59/34/606305934.db2.gz YCPZZVFDRZCTFS-INIZCTEOSA-N -1 3 369.450 3.056 20 0 FGADHM O=C(Nc1ccc(OC2CCC2)c(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000823350232 606311748 /nfs/dbraw/zinc/31/17/48/606311748.db2.gz FKYRYTCWYCIJFL-UHFFFAOYSA-N -1 3 353.357 3.189 20 0 FGADHM O=C(Nc1ccc(OC2CCC2)c(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000823350232 606311750 /nfs/dbraw/zinc/31/17/50/606311750.db2.gz FKYRYTCWYCIJFL-UHFFFAOYSA-N -1 3 353.357 3.189 20 0 FGADHM COC(=O)[C@@H](N[C@@H](c1ccccc1)C(C)C)c1cccc(-c2nnn[n-]2)c1 ZINC000821642273 606313435 /nfs/dbraw/zinc/31/34/35/606313435.db2.gz GKEKFAJZWDNHNW-MSOLQXFVSA-N -1 3 365.437 3.068 20 0 FGADHM COC(=O)[C@@H](N[C@@H](c1ccccc1)C(C)C)c1cccc(-c2nn[n-]n2)c1 ZINC000821642273 606313436 /nfs/dbraw/zinc/31/34/36/606313436.db2.gz GKEKFAJZWDNHNW-MSOLQXFVSA-N -1 3 365.437 3.068 20 0 FGADHM C[C@H](Oc1ccccc1F)C(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820548533 606344669 /nfs/dbraw/zinc/34/46/69/606344669.db2.gz BMNSFIJIBOKPLM-RYUDHWBXSA-N -1 3 356.357 3.078 20 0 FGADHM C[C@H](Oc1ccccc1F)C(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820548533 606344670 /nfs/dbraw/zinc/34/46/70/606344670.db2.gz BMNSFIJIBOKPLM-RYUDHWBXSA-N -1 3 356.357 3.078 20 0 FGADHM Cc1c(C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cnn1C(C)(C)C ZINC000822020855 606345339 /nfs/dbraw/zinc/34/53/39/606345339.db2.gz LHFPDLYUBOORFE-LBPRGKRZSA-N -1 3 354.414 3.045 20 0 FGADHM Cc1c(C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cnn1C(C)(C)C ZINC000822020855 606345341 /nfs/dbraw/zinc/34/53/41/606345341.db2.gz LHFPDLYUBOORFE-LBPRGKRZSA-N -1 3 354.414 3.045 20 0 FGADHM C[C@@H](OC(=O)C(=O)c1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820481120 606347205 /nfs/dbraw/zinc/34/72/05/606347205.db2.gz SWWWVXUDXUJXGT-SNVBAGLBSA-N -1 3 356.769 3.007 20 0 FGADHM C[C@@H](OC(=O)C(=O)c1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820481120 606347207 /nfs/dbraw/zinc/34/72/07/606347207.db2.gz SWWWVXUDXUJXGT-SNVBAGLBSA-N -1 3 356.769 3.007 20 0 FGADHM C[C@H](OC(=O)c1ccc(C(F)(F)F)nc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820513107 606347438 /nfs/dbraw/zinc/34/74/38/606347438.db2.gz UWOVEMPGAIOYLO-VIFPVBQESA-N -1 3 363.299 3.199 20 0 FGADHM C[C@H](OC(=O)c1ccc(C(F)(F)F)nc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820513107 606347439 /nfs/dbraw/zinc/34/74/39/606347439.db2.gz UWOVEMPGAIOYLO-VIFPVBQESA-N -1 3 363.299 3.199 20 0 FGADHM Cc1cc2ccccc2n1CC(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000822212724 606349981 /nfs/dbraw/zinc/34/99/81/606349981.db2.gz FAECAXHMVJHILO-AWEZNQCLSA-N -1 3 361.405 3.434 20 0 FGADHM Cc1cc2ccccc2n1CC(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000822212724 606349983 /nfs/dbraw/zinc/34/99/83/606349983.db2.gz FAECAXHMVJHILO-AWEZNQCLSA-N -1 3 361.405 3.434 20 0 FGADHM COc1cccc([C@@H](C)C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821859148 606351716 /nfs/dbraw/zinc/35/17/16/606351716.db2.gz LRDPKBGBXSVIOL-CHWSQXEVSA-N -1 3 352.394 3.283 20 0 FGADHM COc1cccc([C@@H](C)C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821859148 606351717 /nfs/dbraw/zinc/35/17/17/606351717.db2.gz LRDPKBGBXSVIOL-CHWSQXEVSA-N -1 3 352.394 3.283 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)NC1(c2ccc(Cl)cc2)CC1 ZINC000823344038 606354994 /nfs/dbraw/zinc/35/49/94/606354994.db2.gz OPJQJZLVIVIQLJ-UHFFFAOYSA-N -1 3 372.791 3.470 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)NC1(c2ccc(Cl)cc2)CC1 ZINC000823344038 606354995 /nfs/dbraw/zinc/35/49/95/606354995.db2.gz OPJQJZLVIVIQLJ-UHFFFAOYSA-N -1 3 372.791 3.470 20 0 FGADHM CC(C)(NC(=O)Nc1ccc(F)cc1-c1nnn[n-]1)c1cccc(F)c1 ZINC000819988005 606355039 /nfs/dbraw/zinc/35/50/39/606355039.db2.gz PYZKSJXRPPMLOC-UHFFFAOYSA-N -1 3 358.352 3.202 20 0 FGADHM CC(C)(NC(=O)Nc1ccc(F)cc1-c1nn[n-]n1)c1cccc(F)c1 ZINC000819988005 606355041 /nfs/dbraw/zinc/35/50/41/606355041.db2.gz PYZKSJXRPPMLOC-UHFFFAOYSA-N -1 3 358.352 3.202 20 0 FGADHM CC(C)C[C@H](C)N(C)C(=O)CSCc1ccc(F)cc1-c1nnn[n-]1 ZINC000820056824 606371671 /nfs/dbraw/zinc/37/16/71/606371671.db2.gz SWHXTQXBRSPDLM-LBPRGKRZSA-N -1 3 365.478 3.132 20 0 FGADHM CC(C)C[C@H](C)N(C)C(=O)CSCc1ccc(F)cc1-c1nn[n-]n1 ZINC000820056824 606371673 /nfs/dbraw/zinc/37/16/73/606371673.db2.gz SWHXTQXBRSPDLM-LBPRGKRZSA-N -1 3 365.478 3.132 20 0 FGADHM C[C@H](SCC(=O)N([C@@H](C)C1CC1)C1CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820549983 606372245 /nfs/dbraw/zinc/37/22/45/606372245.db2.gz UJTQNNYMQWZXHT-STQMWFEESA-N -1 3 371.510 3.450 20 0 FGADHM C[C@H](SCC(=O)N([C@@H](C)C1CC1)C1CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820549983 606372246 /nfs/dbraw/zinc/37/22/46/606372246.db2.gz UJTQNNYMQWZXHT-STQMWFEESA-N -1 3 371.510 3.450 20 0 FGADHM CCS[C@@H]1CCC[C@H](NC(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000821455298 606384753 /nfs/dbraw/zinc/38/47/53/606384753.db2.gz IZWNRZWQRSDXEF-JKSUJKDBSA-N -1 3 374.514 3.072 20 0 FGADHM CCS[C@@H]1CCC[C@H](NC(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821455298 606384754 /nfs/dbraw/zinc/38/47/54/606384754.db2.gz IZWNRZWQRSDXEF-JKSUJKDBSA-N -1 3 374.514 3.072 20 0 FGADHM COc1cc(C(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)ccc1C ZINC000821703077 606412672 /nfs/dbraw/zinc/41/26/72/606412672.db2.gz NQVVDAOCTWVPAA-UHFFFAOYSA-N -1 3 357.801 3.114 20 0 FGADHM COc1cc(C(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)ccc1C ZINC000821703077 606412674 /nfs/dbraw/zinc/41/26/74/606412674.db2.gz NQVVDAOCTWVPAA-UHFFFAOYSA-N -1 3 357.801 3.114 20 0 FGADHM CCCCc1ccc(N(C)S(=O)(=O)c2ccccc2-c2nnn[n-]2)cc1 ZINC000821077558 606413892 /nfs/dbraw/zinc/41/38/92/606413892.db2.gz LOFKSAVNMMAFOY-UHFFFAOYSA-N -1 3 371.466 3.034 20 0 FGADHM CCCCc1ccc(N(C)S(=O)(=O)c2ccccc2-c2nn[n-]n2)cc1 ZINC000821077558 606413896 /nfs/dbraw/zinc/41/38/96/606413896.db2.gz LOFKSAVNMMAFOY-UHFFFAOYSA-N -1 3 371.466 3.034 20 0 FGADHM Cc1ccc(OCC(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)c(C)c1 ZINC000822262893 606415570 /nfs/dbraw/zinc/41/55/70/606415570.db2.gz GGNRHTQXLHBIQM-UHFFFAOYSA-N -1 3 371.828 3.179 20 0 FGADHM Cc1ccc(OCC(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)c(C)c1 ZINC000822262893 606415571 /nfs/dbraw/zinc/41/55/71/606415571.db2.gz GGNRHTQXLHBIQM-UHFFFAOYSA-N -1 3 371.828 3.179 20 0 FGADHM C[C@@H](Nc1cccc(F)c1-c1nnn[n-]1)[C@H](O)c1c(F)cccc1Cl ZINC000820461073 606419182 /nfs/dbraw/zinc/41/91/82/606419182.db2.gz DVXRAGVYIJPDGU-GLEZIHRCSA-N -1 3 365.771 3.332 20 0 FGADHM C[C@@H](Nc1cccc(F)c1-c1nn[n-]n1)[C@H](O)c1c(F)cccc1Cl ZINC000820461073 606419184 /nfs/dbraw/zinc/41/91/84/606419184.db2.gz DVXRAGVYIJPDGU-GLEZIHRCSA-N -1 3 365.771 3.332 20 0 FGADHM C[C@H](Nc1cccc(F)c1-c1nnn[n-]1)[C@H](O)c1c(F)cccc1Cl ZINC000820461072 606419495 /nfs/dbraw/zinc/41/94/95/606419495.db2.gz DVXRAGVYIJPDGU-AYVTZFPOSA-N -1 3 365.771 3.332 20 0 FGADHM C[C@H](Nc1cccc(F)c1-c1nn[n-]n1)[C@H](O)c1c(F)cccc1Cl ZINC000820461072 606419496 /nfs/dbraw/zinc/41/94/96/606419496.db2.gz DVXRAGVYIJPDGU-AYVTZFPOSA-N -1 3 365.771 3.332 20 0 FGADHM c1cc(-c2nnn[n-]2)sc1CNc1ccc(OC[C@H]2CCCO2)cc1 ZINC000823763055 606420814 /nfs/dbraw/zinc/42/08/14/606420814.db2.gz YFAAAZDXXFGEDN-CQSZACIVSA-N -1 3 357.439 3.098 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1N1CC[C@@H](OCCCc2ccccc2)C1 ZINC000822744351 606429239 /nfs/dbraw/zinc/42/92/39/606429239.db2.gz QQKJPNDGRDVJFD-QGZVFWFLSA-N -1 3 367.428 3.234 20 0 FGADHM CC(C)(C)c1nccc(NCCSCc2ccccc2-c2nnn[n-]2)n1 ZINC000819971238 606441028 /nfs/dbraw/zinc/44/10/28/606441028.db2.gz GBJFGRWKSVRJOT-UHFFFAOYSA-N -1 3 369.498 3.300 20 0 FGADHM CC(C)(C)c1nccc(NCCSCc2ccccc2-c2nn[n-]n2)n1 ZINC000819971238 606441030 /nfs/dbraw/zinc/44/10/30/606441030.db2.gz GBJFGRWKSVRJOT-UHFFFAOYSA-N -1 3 369.498 3.300 20 0 FGADHM C[C@H](Nc1ccc(Cl)cc1-c1nnn[n-]1)c1ccc(-n2cncn2)cc1 ZINC000820455244 606441423 /nfs/dbraw/zinc/44/14/23/606441423.db2.gz FUVSUOFHNBWREN-NSHDSACASA-N -1 3 366.816 3.274 20 0 FGADHM C[C@H](Nc1ccc(Cl)cc1-c1nn[n-]n1)c1ccc(-n2cncn2)cc1 ZINC000820455244 606441425 /nfs/dbraw/zinc/44/14/25/606441425.db2.gz FUVSUOFHNBWREN-NSHDSACASA-N -1 3 366.816 3.274 20 0 FGADHM CCC[C@@H]1C[C@@H]1NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC000821034586 606441747 /nfs/dbraw/zinc/44/17/47/606441747.db2.gz PLCUANDZAMAAOT-SJORKVTESA-N -1 3 356.474 3.223 20 0 FGADHM CCC[C@@H]1C[C@@H]1NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC000821034586 606441749 /nfs/dbraw/zinc/44/17/49/606441749.db2.gz PLCUANDZAMAAOT-SJORKVTESA-N -1 3 356.474 3.223 20 0 FGADHM CC(=O)Nc1c(C)ccc(NCc2cc(-c3nnn[n-]3)ccc2F)c1C ZINC000819810242 606449537 /nfs/dbraw/zinc/44/95/37/606449537.db2.gz CRXHCZXWMSMEKM-UHFFFAOYSA-N -1 3 354.389 3.193 20 0 FGADHM CC(=O)Nc1c(C)ccc(NCc2cc(-c3nn[n-]n3)ccc2F)c1C ZINC000819810242 606449538 /nfs/dbraw/zinc/44/95/38/606449538.db2.gz CRXHCZXWMSMEKM-UHFFFAOYSA-N -1 3 354.389 3.193 20 0 FGADHM CCOc1cc2c(cc1NCc1cc(-c3nnn[n-]3)ccc1F)O[C@@H](C)C2 ZINC000821400622 606451828 /nfs/dbraw/zinc/45/18/28/606451828.db2.gz MOLSNLOGYOZGQU-NSHDSACASA-N -1 3 369.400 3.340 20 0 FGADHM CCOc1cc2c(cc1NCc1cc(-c3nn[n-]n3)ccc1F)O[C@@H](C)C2 ZINC000821400622 606451829 /nfs/dbraw/zinc/45/18/29/606451829.db2.gz MOLSNLOGYOZGQU-NSHDSACASA-N -1 3 369.400 3.340 20 0 FGADHM O=C(Oc1cccc(Oc2ccccn2)c1)c1cc(-c2nnn[n-]2)cs1 ZINC000823454751 606462189 /nfs/dbraw/zinc/46/21/89/606462189.db2.gz SRBPURRUBAETAL-UHFFFAOYSA-N -1 3 365.374 3.335 20 0 FGADHM O=C(Oc1cccc(Oc2ccccn2)c1)c1cc(-c2nn[n-]n2)cs1 ZINC000823454751 606462190 /nfs/dbraw/zinc/46/21/90/606462190.db2.gz SRBPURRUBAETAL-UHFFFAOYSA-N -1 3 365.374 3.335 20 0 FGADHM O=C(c1cc(-c2nnn[n-]2)cs1)N1CCC(Cc2ccccc2)CC1 ZINC000823465807 606476032 /nfs/dbraw/zinc/47/60/32/606476032.db2.gz AFJACOHINJCBTD-UHFFFAOYSA-N -1 3 353.451 3.023 20 0 FGADHM O=C(c1cc(-c2nn[n-]n2)cs1)N1CCC(Cc2ccccc2)CC1 ZINC000823465807 606476033 /nfs/dbraw/zinc/47/60/33/606476033.db2.gz AFJACOHINJCBTD-UHFFFAOYSA-N -1 3 353.451 3.023 20 0 FGADHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(NC[C@H](C)c3ccncc3)c2c1 ZINC000822195161 606478115 /nfs/dbraw/zinc/47/81/15/606478115.db2.gz IXULKOMOLPFTJO-AWEZNQCLSA-N -1 3 359.437 3.064 20 0 FGADHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(NC[C@H](C)c3ccncc3)c2c1 ZINC000822195161 606478118 /nfs/dbraw/zinc/47/81/18/606478118.db2.gz IXULKOMOLPFTJO-AWEZNQCLSA-N -1 3 359.437 3.064 20 0 FGADHM O=C(Nc1ccc(Oc2ccccc2)nc1)c1cc(-c2nnn[n-]2)cs1 ZINC000823357539 606496246 /nfs/dbraw/zinc/49/62/46/606496246.db2.gz WZRFRHRDVBPNDW-UHFFFAOYSA-N -1 3 364.390 3.368 20 0 FGADHM O=C(Nc1ccc(Oc2ccccc2)nc1)c1cc(-c2nn[n-]n2)cs1 ZINC000823357539 606496247 /nfs/dbraw/zinc/49/62/47/606496247.db2.gz WZRFRHRDVBPNDW-UHFFFAOYSA-N -1 3 364.390 3.368 20 0 FGADHM CCCN(C(=O)c1cc(-c2nnn[n-]2)cs1)[C@@H]1CCc2ccccc2C1 ZINC000821083419 606497079 /nfs/dbraw/zinc/49/70/79/606497079.db2.gz YODJDKQAZQITLJ-MRXNPFEDSA-N -1 3 367.478 3.338 20 0 FGADHM CCCN(C(=O)c1cc(-c2nn[n-]n2)cs1)[C@@H]1CCc2ccccc2C1 ZINC000821083419 606497082 /nfs/dbraw/zinc/49/70/82/606497082.db2.gz YODJDKQAZQITLJ-MRXNPFEDSA-N -1 3 367.478 3.338 20 0 FGADHM CN(Cc1cccc2ccccc21)C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821614886 606503271 /nfs/dbraw/zinc/50/32/71/606503271.db2.gz YOJXEQKMZNIIOW-UHFFFAOYSA-N -1 3 357.417 3.221 20 0 FGADHM CN(Cc1cccc2ccccc21)C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821614886 606503273 /nfs/dbraw/zinc/50/32/73/606503273.db2.gz YOJXEQKMZNIIOW-UHFFFAOYSA-N -1 3 357.417 3.221 20 0 FGADHM O=C(Nc1ccc(F)cc1C(F)(F)F)c1cc(-c2nnn[n-]2)cs1 ZINC000823345591 606506716 /nfs/dbraw/zinc/50/67/16/606506716.db2.gz AAUPXSAYDQUFKC-UHFFFAOYSA-N -1 3 357.292 3.338 20 0 FGADHM O=C(Nc1ccc(F)cc1C(F)(F)F)c1cc(-c2nn[n-]n2)cs1 ZINC000823345591 606506718 /nfs/dbraw/zinc/50/67/18/606506718.db2.gz AAUPXSAYDQUFKC-UHFFFAOYSA-N -1 3 357.292 3.338 20 0 FGADHM CC[C@H](NC(=O)c1cc(-c2nnn[n-]2)cs1)C(C)(C)c1ccccc1 ZINC000820920393 606515842 /nfs/dbraw/zinc/51/58/42/606515842.db2.gz PMPJCRVDZXYTTN-HNNXBMFYSA-N -1 3 355.467 3.414 20 0 FGADHM CC[C@H](NC(=O)c1cc(-c2nn[n-]n2)cs1)C(C)(C)c1ccccc1 ZINC000820920393 606515843 /nfs/dbraw/zinc/51/58/43/606515843.db2.gz PMPJCRVDZXYTTN-HNNXBMFYSA-N -1 3 355.467 3.414 20 0 FGADHM CCC1(NC(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)CCC1 ZINC000820967879 606529169 /nfs/dbraw/zinc/52/91/69/606529169.db2.gz XUHKEYZISJTAMW-UHFFFAOYSA-N -1 3 364.409 3.117 20 0 FGADHM CCC1(NC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)CCC1 ZINC000820967879 606529170 /nfs/dbraw/zinc/52/91/70/606529170.db2.gz XUHKEYZISJTAMW-UHFFFAOYSA-N -1 3 364.409 3.117 20 0 FGADHM C[C@H](NC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1F ZINC000822000763 606532147 /nfs/dbraw/zinc/53/21/47/606532147.db2.gz YBKMAEPCIKZBRU-NSHDSACASA-N -1 3 372.379 3.048 20 0 FGADHM C[C@H](NC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1F ZINC000822000763 606532149 /nfs/dbraw/zinc/53/21/49/606532149.db2.gz YBKMAEPCIKZBRU-NSHDSACASA-N -1 3 372.379 3.048 20 0 FGADHM C[C@H]1Sc2ccccc2N(C(=O)c2cc(-c3nnn[n-]3)cs2)[C@@H]1C ZINC000820819947 606544397 /nfs/dbraw/zinc/54/43/97/606544397.db2.gz LPDCPOXBFOZTNW-NXEZZACHSA-N -1 3 357.464 3.458 20 0 FGADHM C[C@H]1Sc2ccccc2N(C(=O)c2cc(-c3nn[n-]n3)cs2)[C@@H]1C ZINC000820819947 606544399 /nfs/dbraw/zinc/54/43/99/606544399.db2.gz LPDCPOXBFOZTNW-NXEZZACHSA-N -1 3 357.464 3.458 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N[C@H](C1CCCC1)C(F)(F)F ZINC000822929374 606548922 /nfs/dbraw/zinc/54/89/22/606548922.db2.gz SYWKENPNKLMAOV-FJVVXJACSA-N -1 3 365.359 3.117 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N[C@H](C1CCCC1)C(F)(F)F ZINC000822929374 606548924 /nfs/dbraw/zinc/54/89/24/606548924.db2.gz SYWKENPNKLMAOV-FJVVXJACSA-N -1 3 365.359 3.117 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N(CCC(F)(F)F)CC1CC1 ZINC000822928012 606550083 /nfs/dbraw/zinc/55/00/83/606550083.db2.gz CMIUWBWSNAOFLT-FPLPWBNLSA-N -1 3 365.359 3.071 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N(CCC(F)(F)F)CC1CC1 ZINC000822928012 606550085 /nfs/dbraw/zinc/55/00/85/606550085.db2.gz CMIUWBWSNAOFLT-FPLPWBNLSA-N -1 3 365.359 3.071 20 0 FGADHM CCC1(CNC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)CCC1 ZINC000820962267 606553017 /nfs/dbraw/zinc/55/30/17/606553017.db2.gz LYIMILXHQSQQCJ-UHFFFAOYSA-N -1 3 357.458 3.112 20 0 FGADHM CCC1(CNC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)CCC1 ZINC000820962267 606553019 /nfs/dbraw/zinc/55/30/19/606553019.db2.gz LYIMILXHQSQQCJ-UHFFFAOYSA-N -1 3 357.458 3.112 20 0 FGADHM CCC[C@@H](CCc1ccccc1)NC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821022778 606572540 /nfs/dbraw/zinc/57/25/40/606572540.db2.gz UUQDURNRYOFDAS-IBGZPJMESA-N -1 3 363.465 3.327 20 0 FGADHM CCC[C@@H](CCc1ccccc1)NC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821022778 606572542 /nfs/dbraw/zinc/57/25/42/606572542.db2.gz UUQDURNRYOFDAS-IBGZPJMESA-N -1 3 363.465 3.327 20 0 FGADHM C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000820668800 606575479 /nfs/dbraw/zinc/57/54/79/606575479.db2.gz WUCCDEQTDMPIJJ-ACJLOTCBSA-N -1 3 365.412 3.158 20 0 FGADHM C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000820668800 606575481 /nfs/dbraw/zinc/57/54/81/606575481.db2.gz WUCCDEQTDMPIJJ-ACJLOTCBSA-N -1 3 365.412 3.158 20 0 FGADHM CCC1(CNC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)CCC1 ZINC000820962666 606576163 /nfs/dbraw/zinc/57/61/63/606576163.db2.gz XXPCTXXJXJHMJY-UHFFFAOYSA-N -1 3 366.372 3.170 20 0 FGADHM CCC1(CNC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)CCC1 ZINC000820962666 606576165 /nfs/dbraw/zinc/57/61/65/606576165.db2.gz XXPCTXXJXJHMJY-UHFFFAOYSA-N -1 3 366.372 3.170 20 0 FGADHM Cc1nnc(Nc2ccc(COC(C)(C)C)cc2)c(-c2nnn[n-]2)c1C ZINC000822514074 606592471 /nfs/dbraw/zinc/59/24/71/606592471.db2.gz BIOCAJZGAAERCZ-UHFFFAOYSA-N -1 3 353.430 3.332 20 0 FGADHM Cc1nnc(Nc2ccc(COC(C)(C)C)cc2)c(-c2nn[n-]n2)c1C ZINC000822514074 606592473 /nfs/dbraw/zinc/59/24/73/606592473.db2.gz BIOCAJZGAAERCZ-UHFFFAOYSA-N -1 3 353.430 3.332 20 0 FGADHM CO[C@@H](C)c1nc(CNc2ccc(Cl)cc2-c2nnn[n-]2)cs1 ZINC000821675610 606593554 /nfs/dbraw/zinc/59/35/54/606593554.db2.gz PJAKKDUNCHANGO-QMMMGPOBSA-N -1 3 350.835 3.296 20 0 FGADHM CO[C@@H](C)c1nc(CNc2ccc(Cl)cc2-c2nn[n-]n2)cs1 ZINC000821675610 606593555 /nfs/dbraw/zinc/59/35/55/606593555.db2.gz PJAKKDUNCHANGO-QMMMGPOBSA-N -1 3 350.835 3.296 20 0 FGADHM CCCc1ccc(OCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)cc1 ZINC000821143903 606596387 /nfs/dbraw/zinc/59/63/87/606596387.db2.gz ZXBOUXQHGSXLNW-UHFFFAOYSA-N -1 3 362.393 3.448 20 0 FGADHM CCCc1ccc(OCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)cc1 ZINC000821143903 606596388 /nfs/dbraw/zinc/59/63/88/606596388.db2.gz ZXBOUXQHGSXLNW-UHFFFAOYSA-N -1 3 362.393 3.448 20 0 FGADHM CN(C)C(=O)Sc1cccc(CNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000821577969 606596456 /nfs/dbraw/zinc/59/64/56/606596456.db2.gz GVRCSPFRWRBKRW-UHFFFAOYSA-N -1 3 354.439 3.253 20 0 FGADHM CN(C)C(=O)Sc1cccc(CNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000821577969 606596457 /nfs/dbraw/zinc/59/64/57/606596457.db2.gz GVRCSPFRWRBKRW-UHFFFAOYSA-N -1 3 354.439 3.253 20 0 FGADHM COc1cccc([C@@H](C)CC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000821860009 606602622 /nfs/dbraw/zinc/60/26/22/606602622.db2.gz VWJTYHKEHNNCGM-NSHDSACASA-N -1 3 355.373 3.147 20 0 FGADHM COc1cccc([C@@H](C)CC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000821860009 606602624 /nfs/dbraw/zinc/60/26/24/606602624.db2.gz VWJTYHKEHNNCGM-NSHDSACASA-N -1 3 355.373 3.147 20 0 FGADHM Nc1nc(CSc2ccc(Cl)cc2-c2nnn[n-]2)nc2ccccc12 ZINC000822907283 606629523 /nfs/dbraw/zinc/62/95/23/606629523.db2.gz FZCOTMFTQMMKBW-UHFFFAOYSA-N -1 3 369.841 3.338 20 0 FGADHM Nc1nc(CSc2ccc(Cl)cc2-c2nn[n-]n2)nc2ccccc12 ZINC000822907283 606629524 /nfs/dbraw/zinc/62/95/24/606629524.db2.gz FZCOTMFTQMMKBW-UHFFFAOYSA-N -1 3 369.841 3.338 20 0 FGADHM C[C@H](NC(=O)/C=C/SCc1ccco1)c1cccc(-c2nnn[n-]2)c1 ZINC000820321031 606636309 /nfs/dbraw/zinc/63/63/09/606636309.db2.gz BJZBCWBRVGUMTR-CRALRDPISA-N -1 3 355.423 3.084 20 0 FGADHM C[C@H](NC(=O)/C=C/SCc1ccco1)c1cccc(-c2nn[n-]n2)c1 ZINC000820321031 606636310 /nfs/dbraw/zinc/63/63/10/606636310.db2.gz BJZBCWBRVGUMTR-CRALRDPISA-N -1 3 355.423 3.084 20 0 FGADHM CC(C)[C@@H](NCc1ccc(-c2nnn[n-]2)s1)c1nc2ccccc2[nH]1 ZINC000820026428 606639064 /nfs/dbraw/zinc/63/90/64/606639064.db2.gz KCTSCCMNYNWLHL-OAHLLOKOSA-N -1 3 353.455 3.291 20 0 FGADHM CC(C)(C)c1csc(C[S@@](=O)Cc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000819965451 606661748 /nfs/dbraw/zinc/66/17/48/606661748.db2.gz HJENKKXGKXUWCI-DEOSSOPVSA-N -1 3 361.496 3.070 20 0 FGADHM CC(C)(C)c1csc(C[S@@](=O)Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000819965451 606661749 /nfs/dbraw/zinc/66/17/49/606661749.db2.gz HJENKKXGKXUWCI-DEOSSOPVSA-N -1 3 361.496 3.070 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)CCO[C@H](C)CC(C)C ZINC000821389594 606666104 /nfs/dbraw/zinc/66/61/04/606666104.db2.gz PLPMPMGGXWJFGV-CYBMUJFWSA-N -1 3 362.430 3.012 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)CCO[C@H](C)CC(C)C ZINC000821389594 606666105 /nfs/dbraw/zinc/66/61/05/606666105.db2.gz PLPMPMGGXWJFGV-CYBMUJFWSA-N -1 3 362.430 3.012 20 0 FGADHM O=C([C@H]1C[C@H]1Cc1ccccc1)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000822917278 606667225 /nfs/dbraw/zinc/66/72/25/606667225.db2.gz RLYGYXCTEDDPCR-QUCCMNQESA-N -1 3 373.460 3.237 20 0 FGADHM O=C([C@H]1C[C@H]1Cc1ccccc1)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000822917278 606667226 /nfs/dbraw/zinc/66/72/26/606667226.db2.gz RLYGYXCTEDDPCR-QUCCMNQESA-N -1 3 373.460 3.237 20 0 FGADHM CC(C)CN(C(=O)Cc1c(F)cccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000820081586 606669981 /nfs/dbraw/zinc/66/99/81/606669981.db2.gz MAPQFIHJBIOGLW-UHFFFAOYSA-N -1 3 371.391 3.377 20 0 FGADHM CC(C)CN(C(=O)Cc1c(F)cccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000820081586 606669982 /nfs/dbraw/zinc/66/99/82/606669982.db2.gz MAPQFIHJBIOGLW-UHFFFAOYSA-N -1 3 371.391 3.377 20 0 FGADHM CC(C)CN(C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000820081353 606670194 /nfs/dbraw/zinc/67/01/94/606670194.db2.gz DCCFEYQDONWBLD-UHFFFAOYSA-N -1 3 357.364 3.448 20 0 FGADHM CC(C)CN(C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000820081353 606670195 /nfs/dbraw/zinc/67/01/95/606670195.db2.gz DCCFEYQDONWBLD-UHFFFAOYSA-N -1 3 357.364 3.448 20 0 FGADHM O=C(Nc1cccc(-c2cnco2)c1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823359768 606672316 /nfs/dbraw/zinc/67/23/16/606672316.db2.gz SGTHDMMMSXWZQI-UHFFFAOYSA-N -1 3 368.303 3.052 20 0 FGADHM O=C(Nc1cccc(-c2cnco2)c1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823359768 606672317 /nfs/dbraw/zinc/67/23/17/606672317.db2.gz SGTHDMMMSXWZQI-UHFFFAOYSA-N -1 3 368.303 3.052 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H]1C[C@@H]1Cc1ccccc1 ZINC000821400547 606673682 /nfs/dbraw/zinc/67/36/82/606673682.db2.gz LDDFDTWIZXCXEZ-HOTGVXAUSA-N -1 3 363.421 3.083 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H]1C[C@@H]1Cc1ccccc1 ZINC000821400547 606673683 /nfs/dbraw/zinc/67/36/83/606673683.db2.gz LDDFDTWIZXCXEZ-HOTGVXAUSA-N -1 3 363.421 3.083 20 0 FGADHM CCC1(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)COC1 ZINC000820943971 606678178 /nfs/dbraw/zinc/67/81/78/606678178.db2.gz FJDKMBKFBFDWAM-UHFFFAOYSA-N -1 3 365.393 3.024 20 0 FGADHM CCC1(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)COC1 ZINC000820943971 606678179 /nfs/dbraw/zinc/67/81/79/606678179.db2.gz FJDKMBKFBFDWAM-UHFFFAOYSA-N -1 3 365.393 3.024 20 0 FGADHM COC[C@@H](C)CC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821681975 606678586 /nfs/dbraw/zinc/67/85/86/606678586.db2.gz XFRANIFGXJFWBQ-ZDUSSCGKSA-N -1 3 367.409 3.270 20 0 FGADHM COC[C@@H](C)CC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821681975 606678587 /nfs/dbraw/zinc/67/85/87/606678587.db2.gz XFRANIFGXJFWBQ-ZDUSSCGKSA-N -1 3 367.409 3.270 20 0 FGADHM Cc1cc(C)c2c(c1)CCCN2C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000822194927 606685067 /nfs/dbraw/zinc/68/50/67/606685067.db2.gz AONUCXVRYFABDT-UHFFFAOYSA-N -1 3 369.375 3.355 20 0 FGADHM Cc1cc(C)c2c(c1)CCCN2C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000822194927 606685068 /nfs/dbraw/zinc/68/50/68/606685068.db2.gz AONUCXVRYFABDT-UHFFFAOYSA-N -1 3 369.375 3.355 20 0 FGADHM C[C@H]1[C@H](c2ccccc2)CCN1C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820643447 606686701 /nfs/dbraw/zinc/68/67/01/606686701.db2.gz WRSAPSPEBOCYSE-SMDDNHRTSA-N -1 3 369.375 3.163 20 0 FGADHM C[C@H]1[C@H](c2ccccc2)CCN1C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820643447 606686702 /nfs/dbraw/zinc/68/67/02/606686702.db2.gz WRSAPSPEBOCYSE-SMDDNHRTSA-N -1 3 369.375 3.163 20 0 FGADHM Cc1cc(O)c(C(C)C)cc1NC(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC000822210597 606702281 /nfs/dbraw/zinc/70/22/81/606702281.db2.gz JTDVZOAKTHEHLJ-UHFFFAOYSA-N -1 3 366.425 3.055 20 0 FGADHM FC(F)c1cccc(NCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)c1 ZINC000822736844 606703194 /nfs/dbraw/zinc/70/31/94/606703194.db2.gz KZZKTNGZJHPXEM-UHFFFAOYSA-N -1 3 369.335 3.466 20 0 FGADHM FC(F)c1cccc(NCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)c1 ZINC000822736844 606703196 /nfs/dbraw/zinc/70/31/96/606703196.db2.gz KZZKTNGZJHPXEM-UHFFFAOYSA-N -1 3 369.335 3.466 20 0 FGADHM COCC[C@@H](C)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821685486 606712616 /nfs/dbraw/zinc/71/26/16/606712616.db2.gz FOYLDGJWLAQGHF-CQSZACIVSA-N -1 3 353.426 3.283 20 0 FGADHM COCC[C@@H](C)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821685486 606712617 /nfs/dbraw/zinc/71/26/17/606712617.db2.gz FOYLDGJWLAQGHF-CQSZACIVSA-N -1 3 353.426 3.283 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc2sccc2c1 ZINC000821765830 606718776 /nfs/dbraw/zinc/71/87/76/606718776.db2.gz LUOWAYMEFULYPV-UHFFFAOYSA-N -1 3 351.391 3.342 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc2sccc2c1 ZINC000821765830 606718778 /nfs/dbraw/zinc/71/87/78/606718778.db2.gz LUOWAYMEFULYPV-UHFFFAOYSA-N -1 3 351.391 3.342 20 0 FGADHM O=C(OCc1cccc2cccnc21)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823430179 606760163 /nfs/dbraw/zinc/76/01/63/606760163.db2.gz GKFSDYMQTPOTOZ-UHFFFAOYSA-N -1 3 367.315 3.050 20 0 FGADHM O=C(OCc1cccc2cccnc21)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823430179 606760165 /nfs/dbraw/zinc/76/01/65/606760165.db2.gz GKFSDYMQTPOTOZ-UHFFFAOYSA-N -1 3 367.315 3.050 20 0 FGADHM CC(C)C[C@@H](OC(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1ccccn1 ZINC000820063155 606763665 /nfs/dbraw/zinc/76/36/65/606763665.db2.gz RRNBEURPGAEUOB-QGZVFWFLSA-N -1 3 351.410 3.135 20 0 FGADHM CC(C)C[C@@H](OC(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1ccccn1 ZINC000820063155 606763666 /nfs/dbraw/zinc/76/36/66/606763666.db2.gz RRNBEURPGAEUOB-QGZVFWFLSA-N -1 3 351.410 3.135 20 0 FGADHM COc1ccccc1N1CC[C@H](Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000821899331 606809285 /nfs/dbraw/zinc/80/92/85/606809285.db2.gz XKUKUXPSRUWEHN-ZDUSSCGKSA-N -1 3 370.844 3.220 20 0 FGADHM COc1ccccc1N1CC[C@H](Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000821899331 606809286 /nfs/dbraw/zinc/80/92/86/606809286.db2.gz XKUKUXPSRUWEHN-ZDUSSCGKSA-N -1 3 370.844 3.220 20 0 FGADHM CC[C@@H](C)Oc1cc(C)ccc1CNC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820876974 606812514 /nfs/dbraw/zinc/81/25/14/606812514.db2.gz XKTBHCQUVNBTJA-GFCCVEGCSA-N -1 3 371.466 3.344 20 0 FGADHM CC[C@@H](C)Oc1cc(C)ccc1CNC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820876974 606812516 /nfs/dbraw/zinc/81/25/16/606812516.db2.gz XKTBHCQUVNBTJA-GFCCVEGCSA-N -1 3 371.466 3.344 20 0 FGADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1F)c1cc(F)cc(Cl)c1 ZINC000823421503 606829160 /nfs/dbraw/zinc/82/91/60/606829160.db2.gz ASTXGTUBPNENIE-UHFFFAOYSA-N -1 3 350.712 3.155 20 0 FGADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1F)c1cc(F)cc(Cl)c1 ZINC000823421503 606829161 /nfs/dbraw/zinc/82/91/61/606829161.db2.gz ASTXGTUBPNENIE-UHFFFAOYSA-N -1 3 350.712 3.155 20 0 FGADHM CC[C@@H]1CCC[C@@H]1NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000820972960 606837225 /nfs/dbraw/zinc/83/72/25/606837225.db2.gz SHHFDGJMROPJQA-WBVHZDCISA-N -1 3 356.474 3.365 20 0 FGADHM CC[C@@H]1CCC[C@@H]1NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000820972960 606837226 /nfs/dbraw/zinc/83/72/26/606837226.db2.gz SHHFDGJMROPJQA-WBVHZDCISA-N -1 3 356.474 3.365 20 0 FGADHM O=C1CCCc2c(OCCCOc3cccc(-c4nnn[n-]4)c3)cccc21 ZINC000823530309 606839824 /nfs/dbraw/zinc/83/98/24/606839824.db2.gz ITIFJYDFJCKSHV-UHFFFAOYSA-N -1 3 364.405 3.234 20 0 FGADHM O=C1CCCc2c(OCCCOc3cccc(-c4nn[n-]n4)c3)cccc21 ZINC000823530309 606839827 /nfs/dbraw/zinc/83/98/27/606839827.db2.gz ITIFJYDFJCKSHV-UHFFFAOYSA-N -1 3 364.405 3.234 20 0 FGADHM C[C@H](NC(=O)C1(Cc2ccccc2)CCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820321636 606860906 /nfs/dbraw/zinc/86/09/06/606860906.db2.gz KACCLINOHZNSBL-HNNXBMFYSA-N -1 3 361.449 3.457 20 0 FGADHM C[C@H](NC(=O)C1(Cc2ccccc2)CCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820321636 606860907 /nfs/dbraw/zinc/86/09/07/606860907.db2.gz KACCLINOHZNSBL-HNNXBMFYSA-N -1 3 361.449 3.457 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1cncc(-c2ccccc2)c1 ZINC000823336899 606864658 /nfs/dbraw/zinc/86/46/58/606864658.db2.gz BZTYTYKDXUUOMP-UHFFFAOYSA-N -1 3 360.352 3.320 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1cncc(-c2ccccc2)c1 ZINC000823336899 606864659 /nfs/dbraw/zinc/86/46/59/606864659.db2.gz BZTYTYKDXUUOMP-UHFFFAOYSA-N -1 3 360.352 3.320 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc(C(C)(C)C)s1 ZINC000821765468 606871899 /nfs/dbraw/zinc/87/18/99/606871899.db2.gz FBMSAILDYONJBY-UHFFFAOYSA-N -1 3 357.439 3.487 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(C(C)(C)C)s1 ZINC000821765468 606871900 /nfs/dbraw/zinc/87/19/00/606871900.db2.gz FBMSAILDYONJBY-UHFFFAOYSA-N -1 3 357.439 3.487 20 0 FGADHM Cc1ccc(Br)c(C(=O)N(C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000822225129 606872894 /nfs/dbraw/zinc/87/28/94/606872894.db2.gz PPZXUWIQKKQSTN-UHFFFAOYSA-N -1 3 372.226 3.214 20 0 FGADHM Cc1ccc(Br)c(C(=O)N(C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000822225129 606872895 /nfs/dbraw/zinc/87/28/95/606872895.db2.gz PPZXUWIQKKQSTN-UHFFFAOYSA-N -1 3 372.226 3.214 20 0 FGADHM C[C@@H]1CC[C@@H](C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)O1 ZINC000820676437 606874547 /nfs/dbraw/zinc/87/45/47/606874547.db2.gz MYKACOBIJPHSEB-PXAZEXFGSA-N -1 3 365.393 3.165 20 0 FGADHM C[C@@H]1CC[C@@H](C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)O1 ZINC000820676437 606874548 /nfs/dbraw/zinc/87/45/48/606874548.db2.gz MYKACOBIJPHSEB-PXAZEXFGSA-N -1 3 365.393 3.165 20 0 FGADHM O=C(Nc1cc(F)ccc1Br)c1cc(-c2nnn[n-]2)cs1 ZINC000823299377 606874793 /nfs/dbraw/zinc/87/47/93/606874793.db2.gz UWXZCLOZRYGFSA-UHFFFAOYSA-N -1 3 368.191 3.082 20 0 FGADHM O=C(Nc1cc(F)ccc1Br)c1cc(-c2nn[n-]n2)cs1 ZINC000823299377 606874794 /nfs/dbraw/zinc/87/47/94/606874794.db2.gz UWXZCLOZRYGFSA-UHFFFAOYSA-N -1 3 368.191 3.082 20 0 FGADHM CC(C)C[C@@H]1CCCCN1C(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000820061416 606880590 /nfs/dbraw/zinc/88/05/90/606880590.db2.gz ADTHSNMRQNNORT-ZBFHGGJFSA-N -1 3 357.458 3.061 20 0 FGADHM Cc1cnoc1C(=O)OCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000822402405 606916184 /nfs/dbraw/zinc/91/61/84/606916184.db2.gz ACMMSWVQGDLCCY-UHFFFAOYSA-N -1 3 361.361 3.187 20 0 FGADHM Cc1cnoc1C(=O)OCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000822402405 606916186 /nfs/dbraw/zinc/91/61/86/606916186.db2.gz ACMMSWVQGDLCCY-UHFFFAOYSA-N -1 3 361.361 3.187 20 0 FGADHM COC(=O)C(C)(C)c1ccc(NCc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000821638719 606931262 /nfs/dbraw/zinc/93/12/62/606931262.db2.gz GKVKTUYHJSPHCB-UHFFFAOYSA-N -1 3 369.400 3.069 20 0 FGADHM COC(=O)C(C)(C)c1ccc(NCc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000821638719 606931263 /nfs/dbraw/zinc/93/12/63/606931263.db2.gz GKVKTUYHJSPHCB-UHFFFAOYSA-N -1 3 369.400 3.069 20 0 FGADHM CC(C)C1CCC(NC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000820356964 606931465 /nfs/dbraw/zinc/93/14/65/606931465.db2.gz DMQCVWZHWIIVAI-TUBUQKNSSA-N -1 3 356.474 3.442 20 0 FGADHM CC(C)C1CCC(NC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000820356964 606931466 /nfs/dbraw/zinc/93/14/66/606931466.db2.gz DMQCVWZHWIIVAI-TUBUQKNSSA-N -1 3 356.474 3.442 20 0 FGADHM C[C@]1(CNC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CCCS1 ZINC000820618751 606931848 /nfs/dbraw/zinc/93/18/48/606931848.db2.gz NMDPOOWNCCRZOK-CQSZACIVSA-N -1 3 368.919 3.092 20 0 FGADHM C[C@]1(CNC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CCCS1 ZINC000820618751 606931849 /nfs/dbraw/zinc/93/18/49/606931849.db2.gz NMDPOOWNCCRZOK-CQSZACIVSA-N -1 3 368.919 3.092 20 0 FGADHM CCc1nnc(NCc2ccc(Cl)cc2OC)c(-c2nnn[n-]2)c1CC ZINC000821542635 606934361 /nfs/dbraw/zinc/93/43/61/606934361.db2.gz VLSGRYBMMFESBR-UHFFFAOYSA-N -1 3 373.848 3.056 20 0 FGADHM CCc1nnc(NCc2ccc(Cl)cc2OC)c(-c2nn[n-]n2)c1CC ZINC000821542635 606934366 /nfs/dbraw/zinc/93/43/66/606934366.db2.gz VLSGRYBMMFESBR-UHFFFAOYSA-N -1 3 373.848 3.056 20 0 FGADHM Cc1coc(-c2cc(NC(=O)c3sccc3-c3nnn[n-]3)ccc2C)n1 ZINC000822403756 606938484 /nfs/dbraw/zinc/93/84/84/606938484.db2.gz TVRUEWAXAPIFNN-UHFFFAOYSA-N -1 3 366.406 3.452 20 0 FGADHM Cc1coc(-c2cc(NC(=O)c3sccc3-c3nn[n-]n3)ccc2C)n1 ZINC000822403756 606938485 /nfs/dbraw/zinc/93/84/85/606938485.db2.gz TVRUEWAXAPIFNN-UHFFFAOYSA-N -1 3 366.406 3.452 20 0 FGADHM O=C(CCCc1cccs1)OCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000822958900 606944141 /nfs/dbraw/zinc/94/41/41/606944141.db2.gz MKMYSWTWKKHSPS-UHFFFAOYSA-N -1 3 372.450 3.263 20 0 FGADHM O=C(CCCc1cccs1)OCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000822958900 606944142 /nfs/dbraw/zinc/94/41/42/606944142.db2.gz MKMYSWTWKKHSPS-UHFFFAOYSA-N -1 3 372.450 3.263 20 0 FGADHM CC[C@@]1(C)CCN(C(=O)c2cc(C3CC3)nc(SC)c2-c2nnn[n-]2)C1 ZINC000820950372 606957670 /nfs/dbraw/zinc/95/76/70/606957670.db2.gz NDNYGMYCWSXDQE-SFHVURJKSA-N -1 3 372.498 3.123 20 0 FGADHM COCCN(C(=O)c1cc(C)cc(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000821689263 606959385 /nfs/dbraw/zinc/95/93/85/606959385.db2.gz SLUBDTICHLBMDL-UHFFFAOYSA-N -1 3 371.828 3.122 20 0 FGADHM COCCN(C(=O)c1cc(C)cc(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000821689263 606959387 /nfs/dbraw/zinc/95/93/87/606959387.db2.gz SLUBDTICHLBMDL-UHFFFAOYSA-N -1 3 371.828 3.122 20 0 FGADHM COc1ccccc1CCC(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821891095 606959529 /nfs/dbraw/zinc/95/95/29/606959529.db2.gz VAVQBOPOQDGUSP-UHFFFAOYSA-N -1 3 371.828 3.124 20 0 FGADHM COc1ccccc1CCC(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821891095 606959531 /nfs/dbraw/zinc/95/95/31/606959531.db2.gz VAVQBOPOQDGUSP-UHFFFAOYSA-N -1 3 371.828 3.124 20 0 FGADHM CN(C(=O)Cc1ccc(F)c(F)c1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821570772 606960933 /nfs/dbraw/zinc/96/09/33/606960933.db2.gz KLDBWQUNCIPXQP-UHFFFAOYSA-N -1 3 363.755 3.004 20 0 FGADHM CN(C(=O)Cc1ccc(F)c(F)c1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821570772 606960935 /nfs/dbraw/zinc/96/09/35/606960935.db2.gz KLDBWQUNCIPXQP-UHFFFAOYSA-N -1 3 363.755 3.004 20 0 FGADHM CCCCN(C)c1ccc(C(=O)N(C)c2ccccc2-c2nnn[n-]2)cc1 ZINC000821061099 606971062 /nfs/dbraw/zinc/97/10/62/606971062.db2.gz MUQZFKMXZQVKJR-UHFFFAOYSA-N -1 3 364.453 3.380 20 0 FGADHM CCCCN(C)c1ccc(C(=O)N(C)c2ccccc2-c2nn[n-]n2)cc1 ZINC000821061099 606971063 /nfs/dbraw/zinc/97/10/63/606971063.db2.gz MUQZFKMXZQVKJR-UHFFFAOYSA-N -1 3 364.453 3.380 20 0 FGADHM Cc1ccc(C(C)C)c(OCC(=O)N(C)c2ccccc2-c2nnn[n-]2)c1 ZINC000822229031 606974547 /nfs/dbraw/zinc/97/45/47/606974547.db2.gz KUILEKGEIYXWIH-UHFFFAOYSA-N -1 3 365.437 3.340 20 0 FGADHM Cc1ccc(C(C)C)c(OCC(=O)N(C)c2ccccc2-c2nn[n-]n2)c1 ZINC000822229031 606974549 /nfs/dbraw/zinc/97/45/49/606974549.db2.gz KUILEKGEIYXWIH-UHFFFAOYSA-N -1 3 365.437 3.340 20 0 FGADHM CCS[C@H](C)c1noc(CSCc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000821448855 606988606 /nfs/dbraw/zinc/98/86/06/606988606.db2.gz OTDCMHZULMLJMS-SNVBAGLBSA-N -1 3 362.484 3.497 20 0 FGADHM CCS[C@H](C)c1noc(CSCc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000821448855 606988608 /nfs/dbraw/zinc/98/86/08/606988608.db2.gz OTDCMHZULMLJMS-SNVBAGLBSA-N -1 3 362.484 3.497 20 0 FGADHM Cc1coc(-c2cccc(NC(=O)C=Cc3ccccc3-c3nnn[n-]3)c2)n1 ZINC000822402786 606989394 /nfs/dbraw/zinc/98/93/94/606989394.db2.gz GQZAZTHXSVYLHU-KTKRTIGZSA-N -1 3 372.388 3.482 20 0 FGADHM Cc1coc(-c2cccc(NC(=O)C=Cc3ccccc3-c3nn[n-]n3)c2)n1 ZINC000822402786 606989395 /nfs/dbraw/zinc/98/93/95/606989395.db2.gz GQZAZTHXSVYLHU-KTKRTIGZSA-N -1 3 372.388 3.482 20 0 FGADHM C[C@@H](c1cccc(Cl)c1)S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000820563121 606989928 /nfs/dbraw/zinc/98/99/28/606989928.db2.gz OLDLKECBWVKRAW-NSHDSACASA-N -1 3 362.842 3.196 20 0 FGADHM C[C@@H](c1cccc(Cl)c1)S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000820563121 606989930 /nfs/dbraw/zinc/98/99/30/606989930.db2.gz OLDLKECBWVKRAW-NSHDSACASA-N -1 3 362.842 3.196 20 0 FGADHM Cc1cc2ccccc2n1CC(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822212891 606993956 /nfs/dbraw/zinc/99/39/56/606993956.db2.gz LSGHTXOHFGDFLS-UHFFFAOYSA-N -1 3 365.368 3.012 20 0 FGADHM Cc1cc2ccccc2n1CC(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822212891 606993957 /nfs/dbraw/zinc/99/39/57/606993957.db2.gz LSGHTXOHFGDFLS-UHFFFAOYSA-N -1 3 365.368 3.012 20 0 FGADHM O=C(Cc1c(F)cccc1Cl)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000823074424 606994344 /nfs/dbraw/zinc/99/43/44/606994344.db2.gz RHAYNPLTLMUKDU-UHFFFAOYSA-N -1 3 364.739 3.084 20 0 FGADHM O=C(Cc1c(F)cccc1Cl)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000823074424 606994345 /nfs/dbraw/zinc/99/43/45/606994345.db2.gz RHAYNPLTLMUKDU-UHFFFAOYSA-N -1 3 364.739 3.084 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(-c2cnco2)cc1 ZINC000823427051 606995978 /nfs/dbraw/zinc/99/59/78/606995978.db2.gz TYGUFWPVTRROKM-UHFFFAOYSA-N -1 3 365.324 3.018 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(-c2cnco2)cc1 ZINC000823427051 606995979 /nfs/dbraw/zinc/99/59/79/606995979.db2.gz TYGUFWPVTRROKM-UHFFFAOYSA-N -1 3 365.324 3.018 20 0 FGADHM C[C@@H](CC(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC000820225481 606999837 /nfs/dbraw/zinc/99/98/37/606999837.db2.gz JQBMEVBKQCXOKY-NSHDSACASA-N -1 3 358.348 3.382 20 0 FGADHM C[C@@H](CC(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC000820225481 606999839 /nfs/dbraw/zinc/99/98/39/606999839.db2.gz JQBMEVBKQCXOKY-NSHDSACASA-N -1 3 358.348 3.382 20 0 FGADHM CC[C@H](Cc1ccccc1)C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820915293 607000178 /nfs/dbraw/zinc/00/01/78/607000178.db2.gz UZCYGMLMCYXNFJ-OAHLLOKOSA-N -1 3 354.385 3.318 20 0 FGADHM CC[C@H](Cc1ccccc1)C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820915293 607000179 /nfs/dbraw/zinc/00/01/79/607000179.db2.gz UZCYGMLMCYXNFJ-OAHLLOKOSA-N -1 3 354.385 3.318 20 0 FGADHM C[C@@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1c(F)cccc1F ZINC000820556841 607014853 /nfs/dbraw/zinc/01/48/53/607014853.db2.gz VSHQXOKHSXECIG-SECBINFHSA-N -1 3 361.377 3.264 20 0 FGADHM C[C@@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1c(F)cccc1F ZINC000820556841 607014855 /nfs/dbraw/zinc/01/48/55/607014855.db2.gz VSHQXOKHSXECIG-SECBINFHSA-N -1 3 361.377 3.264 20 0 FGADHM CCOC(=O)[C@@H](Cc1ccccc1)Sc1cccc(-c2nnn[n-]2)c1 ZINC000821320185 607017138 /nfs/dbraw/zinc/01/71/38/607017138.db2.gz MCKVBVRXGCNCSN-MRXNPFEDSA-N -1 3 354.435 3.133 20 0 FGADHM CCOC(=O)[C@@H](Cc1ccccc1)Sc1cccc(-c2nn[n-]n2)c1 ZINC000821320185 607017139 /nfs/dbraw/zinc/01/71/39/607017139.db2.gz MCKVBVRXGCNCSN-MRXNPFEDSA-N -1 3 354.435 3.133 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1OCC(=O)Nc1ccc(C(C)C)cc1 ZINC000822221242 607028037 /nfs/dbraw/zinc/02/80/37/607028037.db2.gz GZMMLZJLEOUAQS-UHFFFAOYSA-N -1 3 351.410 3.316 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1OCC(=O)Nc1ccc(C(C)C)cc1 ZINC000822221242 607028038 /nfs/dbraw/zinc/02/80/38/607028038.db2.gz GZMMLZJLEOUAQS-UHFFFAOYSA-N -1 3 351.410 3.316 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1OCc1noc(-c2ccc(Cl)cc2)n1 ZINC000822222267 607028370 /nfs/dbraw/zinc/02/83/70/607028370.db2.gz ARDAEUUKRGMJKM-UHFFFAOYSA-N -1 3 368.784 3.458 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1OCc1noc(-c2ccc(Cl)cc2)n1 ZINC000822222267 607028371 /nfs/dbraw/zinc/02/83/71/607028371.db2.gz ARDAEUUKRGMJKM-UHFFFAOYSA-N -1 3 368.784 3.458 20 0 FGADHM Cc1nnc(SCc2cc(F)ccc2-c2nnn[n-]2)n1-c1ccccc1 ZINC000822514264 607038093 /nfs/dbraw/zinc/03/80/93/607038093.db2.gz DSWLDJHPBINVNA-UHFFFAOYSA-N -1 3 367.413 3.187 20 0 FGADHM Cc1nnc(SCc2cc(F)ccc2-c2nn[n-]n2)n1-c1ccccc1 ZINC000822514264 607038094 /nfs/dbraw/zinc/03/80/94/607038094.db2.gz DSWLDJHPBINVNA-UHFFFAOYSA-N -1 3 367.413 3.187 20 0 FGADHM Fc1ccc(F)c2c1ncc(-c1nnn[n-]1)c2N1CCC(C(F)F)CC1 ZINC000822775665 607040993 /nfs/dbraw/zinc/04/09/93/607040993.db2.gz ZAZOPWPKXZYKET-UHFFFAOYSA-N -1 3 366.322 3.175 20 0 FGADHM Fc1ccc(F)c2c1ncc(-c1nn[n-]n1)c2N1CCC(C(F)F)CC1 ZINC000822775665 607040995 /nfs/dbraw/zinc/04/09/95/607040995.db2.gz ZAZOPWPKXZYKET-UHFFFAOYSA-N -1 3 366.322 3.175 20 0 FGADHM O=C(c1ccc(-c2nnn[n-]2)cn1)N1CCc2cc(-c3ccccc3)ccc21 ZINC000823478805 607056697 /nfs/dbraw/zinc/05/66/97/607056697.db2.gz SZGKYLGXTBKSBS-UHFFFAOYSA-N -1 3 368.400 3.132 20 0 FGADHM O=C(c1ccc(-c2nn[n-]n2)cn1)N1CCc2cc(-c3ccccc3)ccc21 ZINC000823478805 607056700 /nfs/dbraw/zinc/05/67/00/607056700.db2.gz SZGKYLGXTBKSBS-UHFFFAOYSA-N -1 3 368.400 3.132 20 0 FGADHM Fc1ccc(-c2nnn[n-]2)c(CN2CCn3cccc3[C@H]2c2ccccc2)c1 ZINC000822758790 607059027 /nfs/dbraw/zinc/05/90/27/607059027.db2.gz YQXCLOZZPCHWMU-HXUWFJFHSA-N -1 3 374.423 3.413 20 0 FGADHM Fc1ccc(-c2nn[n-]n2)c(CN2CCn3cccc3[C@H]2c2ccccc2)c1 ZINC000822758790 607059028 /nfs/dbraw/zinc/05/90/28/607059028.db2.gz YQXCLOZZPCHWMU-HXUWFJFHSA-N -1 3 374.423 3.413 20 0 FGADHM Cc1cccc2[nH]cc(CC(=O)OCc3cc(F)ccc3-c3nnn[n-]3)c21 ZINC000822333143 607082779 /nfs/dbraw/zinc/08/27/79/607082779.db2.gz YGIBWYWQQUOPDB-UHFFFAOYSA-N -1 3 365.368 3.081 20 0 FGADHM Cc1cccc2[nH]cc(CC(=O)OCc3cc(F)ccc3-c3nn[n-]n3)c21 ZINC000822333143 607082781 /nfs/dbraw/zinc/08/27/81/607082781.db2.gz YGIBWYWQQUOPDB-UHFFFAOYSA-N -1 3 365.368 3.081 20 0 FGADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)Nc1ccc(F)cc1NC1CC1 ZINC000822978861 607099439 /nfs/dbraw/zinc/09/94/39/607099439.db2.gz SMLASOSIABMEQO-UHFFFAOYSA-N -1 3 366.400 3.151 20 0 FGADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)Nc1ccc(F)cc1NC1CC1 ZINC000822978861 607099440 /nfs/dbraw/zinc/09/94/40/607099440.db2.gz SMLASOSIABMEQO-UHFFFAOYSA-N -1 3 366.400 3.151 20 0 FGADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(Cl)ccc1F ZINC000821304791 607099768 /nfs/dbraw/zinc/09/97/68/607099768.db2.gz RFUYCFKJKXAKRW-UHFFFAOYSA-N -1 3 360.780 3.343 20 0 FGADHM O=C(OCCCSc1ccccc1Cl)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823405742 607112784 /nfs/dbraw/zinc/11/27/84/607112784.db2.gz UIWVZFHTEXBLSA-UHFFFAOYSA-N -1 3 363.830 3.187 20 0 FGADHM O=C(OCCCSc1ccccc1Cl)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823405742 607112785 /nfs/dbraw/zinc/11/27/85/607112785.db2.gz UIWVZFHTEXBLSA-UHFFFAOYSA-N -1 3 363.830 3.187 20 0 FGADHM CC(C)CCC1CCN(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000820073145 607120233 /nfs/dbraw/zinc/12/02/33/607120233.db2.gz RAWQHEQYBKERKD-UHFFFAOYSA-N -1 3 356.474 3.225 20 0 FGADHM CC(C)CCC1CCN(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000820073145 607120235 /nfs/dbraw/zinc/12/02/35/607120235.db2.gz RAWQHEQYBKERKD-UHFFFAOYSA-N -1 3 356.474 3.225 20 0 FGADHM CSC[C@@H]1CCCN1C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000821962585 607121184 /nfs/dbraw/zinc/12/11/84/607121184.db2.gz STFHSONOPCJNHG-JTQLQIEISA-N -1 3 368.919 3.044 20 0 FGADHM CSC[C@@H]1CCCN1C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000821962585 607121186 /nfs/dbraw/zinc/12/11/86/607121186.db2.gz STFHSONOPCJNHG-JTQLQIEISA-N -1 3 368.919 3.044 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NCc1nc(-c2ccc(F)c(F)c2)no1 ZINC000822221177 607124060 /nfs/dbraw/zinc/12/40/60/607124060.db2.gz DKOUZIUNQRFUQU-UHFFFAOYSA-N -1 3 369.335 3.115 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NCc1nc(-c2ccc(F)c(F)c2)no1 ZINC000822221177 607124061 /nfs/dbraw/zinc/12/40/61/607124061.db2.gz DKOUZIUNQRFUQU-UHFFFAOYSA-N -1 3 369.335 3.115 20 0 FGADHM Cc1cc(C)cc(NC(=O)[C@H](C)Oc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000822196812 607134601 /nfs/dbraw/zinc/13/46/01/607134601.db2.gz XNJKWNJEHKMKSR-LBPRGKRZSA-N -1 3 355.373 3.029 20 0 FGADHM Cc1cc(C)cc(NC(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000822196812 607134603 /nfs/dbraw/zinc/13/46/03/607134603.db2.gz XNJKWNJEHKMKSR-LBPRGKRZSA-N -1 3 355.373 3.029 20 0 FGADHM O=C(Nc1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1)[C@@H]1CC12CCC2 ZINC000823375882 607142726 /nfs/dbraw/zinc/14/27/26/607142726.db2.gz NWMMKFMFHQAOKH-LBPRGKRZSA-N -1 3 352.423 3.119 20 0 FGADHM O=C(Nc1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1)[C@@H]1CC12CCC2 ZINC000823375882 607142727 /nfs/dbraw/zinc/14/27/27/607142727.db2.gz NWMMKFMFHQAOKH-LBPRGKRZSA-N -1 3 352.423 3.119 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N1CCC[C@H]1CCC1CCCC1 ZINC000823087111 607163306 /nfs/dbraw/zinc/16/33/06/607163306.db2.gz GWADRFVYIOHSIV-SFHVURJKSA-N -1 3 353.470 3.371 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N1CCC[C@H]1CCC1CCCC1 ZINC000823087111 607163308 /nfs/dbraw/zinc/16/33/08/607163308.db2.gz GWADRFVYIOHSIV-SFHVURJKSA-N -1 3 353.470 3.371 20 0 FGADHM CCC[C@@H](C)[C@H]1CCCN1C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000821015892 607164462 /nfs/dbraw/zinc/16/44/62/607164462.db2.gz SLJAIXGIGJORCT-CZUORRHYSA-N -1 3 359.499 3.386 20 0 FGADHM CCC[C@@H](C)[C@H]1CCCN1C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000821015892 607164465 /nfs/dbraw/zinc/16/44/65/607164465.db2.gz SLJAIXGIGJORCT-CZUORRHYSA-N -1 3 359.499 3.386 20 0 FGADHM C[C@@H](Nc1ccc(C(F)(F)F)cc1-c1nnn[n-]1)c1nnc2ccccn21 ZINC000820456025 607172921 /nfs/dbraw/zinc/17/29/21/607172921.db2.gz PCTYFILVKFRUCD-SECBINFHSA-N -1 3 374.330 3.101 20 0 FGADHM C[C@@H](Nc1ccc(C(F)(F)F)cc1-c1nn[n-]n1)c1nnc2ccccn21 ZINC000820456025 607172922 /nfs/dbraw/zinc/17/29/22/607172922.db2.gz PCTYFILVKFRUCD-SECBINFHSA-N -1 3 374.330 3.101 20 0 FGADHM COc1cc(CC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)ccc1C ZINC000821713348 607189702 /nfs/dbraw/zinc/18/97/02/607189702.db2.gz VTFCMELSKMEAPZ-UHFFFAOYSA-N -1 3 357.801 3.018 20 0 FGADHM COc1cc(CC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)ccc1C ZINC000821713348 607189703 /nfs/dbraw/zinc/18/97/03/607189703.db2.gz VTFCMELSKMEAPZ-UHFFFAOYSA-N -1 3 357.801 3.018 20 0 FGADHM Cn1cc(CC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)c2ccccc21 ZINC000822674027 607190169 /nfs/dbraw/zinc/19/01/69/607190169.db2.gz JSAHILMAKFGNMO-UHFFFAOYSA-N -1 3 366.812 3.193 20 0 FGADHM Cn1cc(CC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)c2ccccc21 ZINC000822674027 607190170 /nfs/dbraw/zinc/19/01/70/607190170.db2.gz JSAHILMAKFGNMO-UHFFFAOYSA-N -1 3 366.812 3.193 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)NC1(c2ccccc2F)CC1 ZINC000823319813 607197114 /nfs/dbraw/zinc/19/71/14/607197114.db2.gz YSSIRBJVVUPBTN-UHFFFAOYSA-N -1 3 372.791 3.470 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)NC1(c2ccccc2F)CC1 ZINC000823319813 607197115 /nfs/dbraw/zinc/19/71/15/607197115.db2.gz YSSIRBJVVUPBTN-UHFFFAOYSA-N -1 3 372.791 3.470 20 0 FGADHM Cc1ccccc1CN(C)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000822356136 607200213 /nfs/dbraw/zinc/20/02/13/607200213.db2.gz KLRXXPVKKMANCM-UHFFFAOYSA-N -1 3 356.817 3.492 20 0 FGADHM Cc1ccccc1CN(C)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822356136 607200214 /nfs/dbraw/zinc/20/02/14/607200214.db2.gz KLRXXPVKKMANCM-UHFFFAOYSA-N -1 3 356.817 3.492 20 0 FGADHM COc1ccc(NC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)c(OC)c1 ZINC000821831898 607200882 /nfs/dbraw/zinc/20/08/82/607200882.db2.gz RMZZOKYNTINUKP-UHFFFAOYSA-N -1 3 374.788 3.181 20 0 FGADHM COc1ccc(NC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)c(OC)c1 ZINC000821831898 607200883 /nfs/dbraw/zinc/20/08/83/607200883.db2.gz RMZZOKYNTINUKP-UHFFFAOYSA-N -1 3 374.788 3.181 20 0 FGADHM CC[C@@H](NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)c1nccs1 ZINC000820921040 607201709 /nfs/dbraw/zinc/20/17/09/607201709.db2.gz VBDVEYNFMDWMTA-SNVBAGLBSA-N -1 3 363.834 3.249 20 0 FGADHM CC[C@@H](NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)c1nccs1 ZINC000820921040 607201710 /nfs/dbraw/zinc/20/17/10/607201710.db2.gz VBDVEYNFMDWMTA-SNVBAGLBSA-N -1 3 363.834 3.249 20 0 FGADHM CC[C@H](NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)c1ccncc1 ZINC000820920051 607203459 /nfs/dbraw/zinc/20/34/59/607203459.db2.gz JRPOIHOKNULOGA-ZDUSSCGKSA-N -1 3 357.805 3.188 20 0 FGADHM CC[C@H](NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)c1ccncc1 ZINC000820920051 607203460 /nfs/dbraw/zinc/20/34/60/607203460.db2.gz JRPOIHOKNULOGA-ZDUSSCGKSA-N -1 3 357.805 3.188 20 0 FGADHM Cc1c2c(sc1NC(=O)c1ncc(-c3nnn[n-]3)cc1Cl)CCCC2 ZINC000822115543 607234268 /nfs/dbraw/zinc/23/42/68/607234268.db2.gz FSFTVXKRUGULOJ-UHFFFAOYSA-N -1 3 374.857 3.416 20 0 FGADHM Cc1c2c(sc1NC(=O)c1ncc(-c3nn[n-]n3)cc1Cl)CCCC2 ZINC000822115543 607234269 /nfs/dbraw/zinc/23/42/69/607234269.db2.gz FSFTVXKRUGULOJ-UHFFFAOYSA-N -1 3 374.857 3.416 20 0 FGADHM COc1cccc([C@@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000821860129 607242299 /nfs/dbraw/zinc/24/22/99/607242299.db2.gz XNWXRCXTAOSWFW-SNVBAGLBSA-N -1 3 357.801 3.271 20 0 FGADHM COc1cccc([C@@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000821860129 607242300 /nfs/dbraw/zinc/24/23/00/607242300.db2.gz XNWXRCXTAOSWFW-SNVBAGLBSA-N -1 3 357.801 3.271 20 0 FGADHM Cc1cccc(C2(C(=O)Nc3ccc(-c4nnn[n-]4)cc3Cl)CC2)c1 ZINC000822299403 607243078 /nfs/dbraw/zinc/24/30/78/607243078.db2.gz HUBNGLDXNVIXFZ-UHFFFAOYSA-N -1 3 353.813 3.499 20 0 FGADHM Cc1cccc(C2(C(=O)Nc3ccc(-c4nn[n-]n4)cc3Cl)CC2)c1 ZINC000822299403 607243079 /nfs/dbraw/zinc/24/30/79/607243079.db2.gz HUBNGLDXNVIXFZ-UHFFFAOYSA-N -1 3 353.813 3.499 20 0 FGADHM COc1ccc([C@@H](C)CC(=O)Oc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000821777983 607245343 /nfs/dbraw/zinc/24/53/43/607245343.db2.gz QVGBVVNBZLCABA-NSHDSACASA-N -1 3 356.357 3.114 20 0 FGADHM COc1ccc([C@@H](C)CC(=O)Oc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000821777983 607245344 /nfs/dbraw/zinc/24/53/44/607245344.db2.gz QVGBVVNBZLCABA-NSHDSACASA-N -1 3 356.357 3.114 20 0 FGADHM Cc1c(NC(=S)N[C@@H]2CCc3ccccc3C2)cccc1-c1nnn[n-]1 ZINC000822115956 607251964 /nfs/dbraw/zinc/25/19/64/607251964.db2.gz JLJKVSVWJZYJFF-OAHLLOKOSA-N -1 3 364.478 3.019 20 0 FGADHM Cc1c(NC(=S)N[C@@H]2CCc3ccccc3C2)cccc1-c1nn[n-]n1 ZINC000822115956 607251965 /nfs/dbraw/zinc/25/19/65/607251965.db2.gz JLJKVSVWJZYJFF-OAHLLOKOSA-N -1 3 364.478 3.019 20 0 FGADHM C[C@H](CCc1ccccc1F)C(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC000824412698 607786848 /nfs/dbraw/zinc/78/68/48/607786848.db2.gz DUWHLGDDCNLMRK-CYBMUJFWSA-N -1 3 353.401 3.238 20 0 FGADHM C[C@H](CCc1ccccc1F)C(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC000824412698 607786849 /nfs/dbraw/zinc/78/68/49/607786849.db2.gz DUWHLGDDCNLMRK-CYBMUJFWSA-N -1 3 353.401 3.238 20 0 FGADHM COc1ccc2nc(C)c(C(=O)N(C)c3ccccc3-c3nnn[n-]3)cc2c1 ZINC000826213722 607787543 /nfs/dbraw/zinc/78/75/43/607787543.db2.gz JSLZLYMDGCJVIN-UHFFFAOYSA-N -1 3 374.404 3.009 20 0 FGADHM COc1ccc2nc(C)c(C(=O)N(C)c3ccccc3-c3nn[n-]n3)cc2c1 ZINC000826213722 607787544 /nfs/dbraw/zinc/78/75/44/607787544.db2.gz JSLZLYMDGCJVIN-UHFFFAOYSA-N -1 3 374.404 3.009 20 0 FGADHM C[C@H](CCc1cccc(F)c1)C(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC000824406496 607788747 /nfs/dbraw/zinc/78/87/47/607788747.db2.gz LOMPTDLSVZDTLJ-CYBMUJFWSA-N -1 3 353.401 3.238 20 0 FGADHM C[C@H](CCc1cccc(F)c1)C(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC000824406496 607788748 /nfs/dbraw/zinc/78/87/48/607788748.db2.gz LOMPTDLSVZDTLJ-CYBMUJFWSA-N -1 3 353.401 3.238 20 0 FGADHM CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC000824908155 607790446 /nfs/dbraw/zinc/79/04/46/607790446.db2.gz MVIYFHFAHDIBSN-IIDMSEBBSA-N -1 3 371.485 3.307 20 0 FGADHM CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC000824908155 607790447 /nfs/dbraw/zinc/79/04/47/607790447.db2.gz MVIYFHFAHDIBSN-IIDMSEBBSA-N -1 3 371.485 3.307 20 0 FGADHM COCC[C@@H](OC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000826155606 607791642 /nfs/dbraw/zinc/79/16/42/607791642.db2.gz VTGSCEWDQWHPLX-OAHLLOKOSA-N -1 3 374.347 3.080 20 0 FGADHM COCC[C@@H](OC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000826155606 607791643 /nfs/dbraw/zinc/79/16/43/607791643.db2.gz VTGSCEWDQWHPLX-OAHLLOKOSA-N -1 3 374.347 3.080 20 0 FGADHM CCN(C(=O)[C@H]1C[C@H]1c1cccc(OC)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367800 607796297 /nfs/dbraw/zinc/79/62/97/607796297.db2.gz WZWWWMARCONXBV-ROUUACIJSA-N -1 3 363.421 3.032 20 0 FGADHM CCN(C(=O)[C@H]1C[C@H]1c1cccc(OC)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367800 607796298 /nfs/dbraw/zinc/79/62/98/607796298.db2.gz WZWWWMARCONXBV-ROUUACIJSA-N -1 3 363.421 3.032 20 0 FGADHM CCN(C(=O)[C@H](C)c1cccc(OC)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825366502 607797964 /nfs/dbraw/zinc/79/79/64/607797964.db2.gz ATKUJMBXKPBHEE-CYBMUJFWSA-N -1 3 351.410 3.032 20 0 FGADHM CCN(C(=O)[C@H](C)c1cccc(OC)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825366502 607797965 /nfs/dbraw/zinc/79/79/65/607797965.db2.gz ATKUJMBXKPBHEE-CYBMUJFWSA-N -1 3 351.410 3.032 20 0 FGADHM C[C@@H](OC(=O)c1cc(-c2nnn[n-]2)cn1C)c1ccc(C(F)(F)F)cc1 ZINC000820506925 607801124 /nfs/dbraw/zinc/80/11/24/607801124.db2.gz DOYRTGMJGPXQDY-SECBINFHSA-N -1 3 365.315 3.142 20 0 FGADHM C[C@@H](OC(=O)c1cc(-c2nn[n-]n2)cn1C)c1ccc(C(F)(F)F)cc1 ZINC000820506925 607801125 /nfs/dbraw/zinc/80/11/25/607801125.db2.gz DOYRTGMJGPXQDY-SECBINFHSA-N -1 3 365.315 3.142 20 0 FGADHM Cc1ccc(SCCS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)c(C)c1 ZINC000826293382 607814874 /nfs/dbraw/zinc/81/48/74/607814874.db2.gz NIMCSCQILAYSQD-UHFFFAOYSA-N -1 3 374.491 3.050 20 0 FGADHM Cc1ccc(SCCS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)c(C)c1 ZINC000826293382 607814875 /nfs/dbraw/zinc/81/48/75/607814875.db2.gz NIMCSCQILAYSQD-UHFFFAOYSA-N -1 3 374.491 3.050 20 0 FGADHM Cc1cc(S[C@H]2CCO[C@H]2C)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000826272607 607819960 /nfs/dbraw/zinc/81/99/60/607819960.db2.gz SENPXJMFHGHTEQ-FZMZJTMJSA-N -1 3 366.450 3.246 20 0 FGADHM Cc1cc(S[C@H]2CCO[C@H]2C)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC000826272607 607819961 /nfs/dbraw/zinc/81/99/61/607819961.db2.gz SENPXJMFHGHTEQ-FZMZJTMJSA-N -1 3 366.450 3.246 20 0 FGADHM Cc1noc(C)c1[C@H](C)CC(=O)Nc1sc(C)c(C)c1-c1nnn[n-]1 ZINC000826338348 607826692 /nfs/dbraw/zinc/82/66/92/607826692.db2.gz SNIAVLARBXCXON-SSDOTTSWSA-N -1 3 360.443 3.282 20 0 FGADHM Cc1noc(C)c1[C@H](C)CC(=O)Nc1sc(C)c(C)c1-c1nn[n-]n1 ZINC000826338348 607826693 /nfs/dbraw/zinc/82/66/93/607826693.db2.gz SNIAVLARBXCXON-SSDOTTSWSA-N -1 3 360.443 3.282 20 0 FGADHM C[C@H]1CSc2ccccc2N(C(=O)c2cc(-c3nnn[n-]3)cs2)C1 ZINC000825013750 607830470 /nfs/dbraw/zinc/83/04/70/607830470.db2.gz RHLKQHNRVVUHTL-SNVBAGLBSA-N -1 3 357.464 3.317 20 0 FGADHM C[C@H]1CSc2ccccc2N(C(=O)c2cc(-c3nn[n-]n3)cs2)C1 ZINC000825013750 607830471 /nfs/dbraw/zinc/83/04/71/607830471.db2.gz RHLKQHNRVVUHTL-SNVBAGLBSA-N -1 3 357.464 3.317 20 0 FGADHM CN(CN1c2cccc3cccc(c23)C1=O)c1ccccc1-c1nnn[n-]1 ZINC000825949927 607846694 /nfs/dbraw/zinc/84/66/94/607846694.db2.gz FUVPHJRQNQHDOL-UHFFFAOYSA-N -1 3 356.389 3.074 20 0 FGADHM CN(CN1c2cccc3cccc(c23)C1=O)c1ccccc1-c1nn[n-]n1 ZINC000825949927 607846695 /nfs/dbraw/zinc/84/66/95/607846695.db2.gz FUVPHJRQNQHDOL-UHFFFAOYSA-N -1 3 356.389 3.074 20 0 FGADHM Cc1ccc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)c(Br)c1 ZINC000826282213 607854870 /nfs/dbraw/zinc/85/48/70/607854870.db2.gz CYJCZDJTQPKOLS-UHFFFAOYSA-N -1 3 372.226 3.498 20 0 FGADHM Cc1ccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)c(Br)c1 ZINC000826282213 607854871 /nfs/dbraw/zinc/85/48/71/607854871.db2.gz CYJCZDJTQPKOLS-UHFFFAOYSA-N -1 3 372.226 3.498 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1OC[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000826278753 607877372 /nfs/dbraw/zinc/87/73/72/607877372.db2.gz QUYWUEYJGQLFFX-AWEZNQCLSA-N -1 3 364.327 3.306 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1OC[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000826278753 607877373 /nfs/dbraw/zinc/87/73/73/607877373.db2.gz QUYWUEYJGQLFFX-AWEZNQCLSA-N -1 3 364.327 3.306 20 0 FGADHM CN(C(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1)[C@@H]1CCSC1 ZINC000825830830 607919085 /nfs/dbraw/zinc/91/90/85/607919085.db2.gz ZFHUZQRZMWDVOV-CYBMUJFWSA-N -1 3 365.462 3.111 20 0 FGADHM CN(C(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1)[C@@H]1CCSC1 ZINC000825830830 607919086 /nfs/dbraw/zinc/91/90/86/607919086.db2.gz ZFHUZQRZMWDVOV-CYBMUJFWSA-N -1 3 365.462 3.111 20 0 FGADHM CCc1c(C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cnn1CC(C)C ZINC000825687558 607924227 /nfs/dbraw/zinc/92/42/27/607924227.db2.gz JETFEKZCFNLEMP-CYBMUJFWSA-N -1 3 368.441 3.200 20 0 FGADHM CCc1c(C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cnn1CC(C)C ZINC000825687558 607924228 /nfs/dbraw/zinc/92/42/28/607924228.db2.gz JETFEKZCFNLEMP-CYBMUJFWSA-N -1 3 368.441 3.200 20 0 FGADHM O=C(CCCc1ccc(Cl)cc1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826406651 607947265 /nfs/dbraw/zinc/94/72/65/607947265.db2.gz HFNFWOHKDIHYLY-UHFFFAOYSA-N -1 3 367.840 3.432 20 0 FGADHM O=C(CCCc1ccc(Cl)cc1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826406651 607947266 /nfs/dbraw/zinc/94/72/66/607947266.db2.gz HFNFWOHKDIHYLY-UHFFFAOYSA-N -1 3 367.840 3.432 20 0 FGADHM CC[C@@H](NC(=O)Nc1cc(-c2nnn[n-]2)ccc1C)c1c(C)noc1C ZINC000825133383 607960968 /nfs/dbraw/zinc/96/09/68/607960968.db2.gz MGGLRHMLKCHRNS-CYBMUJFWSA-N -1 3 355.402 3.053 20 0 FGADHM CC[C@@H](NC(=O)Nc1cc(-c2nn[n-]n2)ccc1C)c1c(C)noc1C ZINC000825133383 607960969 /nfs/dbraw/zinc/96/09/69/607960969.db2.gz MGGLRHMLKCHRNS-CYBMUJFWSA-N -1 3 355.402 3.053 20 0 FGADHM O=C(N[C@@H]1C[C@@H]1c1ccccc1)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000826429063 607964370 /nfs/dbraw/zinc/96/43/70/607964370.db2.gz TVDVOPUMPMQLMA-BXUZGUMPSA-N -1 3 374.231 3.459 20 0 FGADHM O=C(N[C@@H]1C[C@@H]1c1ccccc1)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000826429063 607964371 /nfs/dbraw/zinc/96/43/71/607964371.db2.gz TVDVOPUMPMQLMA-BXUZGUMPSA-N -1 3 374.231 3.459 20 0 FGADHM COc1ccc2c(c1)nccc2OCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000826212189 607973043 /nfs/dbraw/zinc/97/30/43/607973043.db2.gz JCPXLYNZYBSPIA-UHFFFAOYSA-N -1 3 363.377 3.011 20 0 FGADHM COc1ccc2c(c1)nccc2OCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000826212189 607973044 /nfs/dbraw/zinc/97/30/44/607973044.db2.gz JCPXLYNZYBSPIA-UHFFFAOYSA-N -1 3 363.377 3.011 20 0 FGADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCC1CCC(C)(C)CC1 ZINC000825971293 607980991 /nfs/dbraw/zinc/98/09/91/607980991.db2.gz AKXFQTYXELRGLS-UHFFFAOYSA-N -1 3 356.474 3.225 20 0 FGADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCC1CCC(C)(C)CC1 ZINC000825971293 607980992 /nfs/dbraw/zinc/98/09/92/607980992.db2.gz AKXFQTYXELRGLS-UHFFFAOYSA-N -1 3 356.474 3.225 20 0 FGADHM CC(=Cc1cccc(Cl)c1)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000823942539 607985151 /nfs/dbraw/zinc/98/51/51/607985151.db2.gz FTAOCYQNXJHDEU-YRNVUSSQSA-N -1 3 371.803 3.379 20 0 FGADHM CC(=Cc1cccc(Cl)c1)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000823942539 607985152 /nfs/dbraw/zinc/98/51/52/607985152.db2.gz FTAOCYQNXJHDEU-YRNVUSSQSA-N -1 3 371.803 3.379 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)c1ccc(Cl)c(OC)c1 ZINC000825608673 607986634 /nfs/dbraw/zinc/98/66/34/607986634.db2.gz BOGKFEJJMQJAAV-UHFFFAOYSA-N -1 3 374.784 3.147 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)c1ccc(Cl)c(OC)c1 ZINC000825608673 607986635 /nfs/dbraw/zinc/98/66/35/607986635.db2.gz BOGKFEJJMQJAAV-UHFFFAOYSA-N -1 3 374.784 3.147 20 0 FGADHM Cc1ccccc1CN(Cc1cccnc1)c1ncccc1-c1nnn[n-]1 ZINC000826306482 607987398 /nfs/dbraw/zinc/98/73/98/607987398.db2.gz AETXDWJJTXTFAX-UHFFFAOYSA-N -1 3 357.421 3.172 20 0 FGADHM Cc1ccccc1CN(Cc1cccnc1)c1ncccc1-c1nn[n-]n1 ZINC000826306482 607987399 /nfs/dbraw/zinc/98/73/99/607987399.db2.gz AETXDWJJTXTFAX-UHFFFAOYSA-N -1 3 357.421 3.172 20 0 FGADHM COc1ccc(C[C@@H](C)C(=O)OCc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000826191684 607993603 /nfs/dbraw/zinc/99/36/03/607993603.db2.gz MWHRLZXYUCUSOS-CQSZACIVSA-N -1 3 366.421 3.106 20 0 FGADHM COc1ccc(C[C@@H](C)C(=O)OCc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000826191684 607993604 /nfs/dbraw/zinc/99/36/04/607993604.db2.gz MWHRLZXYUCUSOS-CQSZACIVSA-N -1 3 366.421 3.106 20 0 FGADHM CC1(C)CN(C(=O)CCc2ccc(-c3nnn[n-]3)cc2)Cc2ccccc21 ZINC000824808507 608003728 /nfs/dbraw/zinc/00/37/28/608003728.db2.gz TWDULXUZCXYBII-UHFFFAOYSA-N -1 3 361.449 3.119 20 0 FGADHM CC1(C)CN(C(=O)CCc2ccc(-c3nn[n-]n3)cc2)Cc2ccccc21 ZINC000824808507 608003729 /nfs/dbraw/zinc/00/37/29/608003729.db2.gz TWDULXUZCXYBII-UHFFFAOYSA-N -1 3 361.449 3.119 20 0 FGADHM CCN(C(=O)[C@@H](C)Cc1ccc(OC)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825361566 608005740 /nfs/dbraw/zinc/00/57/40/608005740.db2.gz FKHHBVPPDLUKQQ-AWEZNQCLSA-N -1 3 365.437 3.107 20 0 FGADHM CCN(C(=O)[C@@H](C)Cc1ccc(OC)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825361566 608005741 /nfs/dbraw/zinc/00/57/41/608005741.db2.gz FKHHBVPPDLUKQQ-AWEZNQCLSA-N -1 3 365.437 3.107 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1NC1CCC(OC(=O)[C@H]2C[C@H]2C)CC1 ZINC000826254648 608012196 /nfs/dbraw/zinc/01/21/96/608012196.db2.gz VJXWDFHSFQPNPL-MGXDSONQSA-N -1 3 355.442 3.097 20 0 FGADHM Cc1nc(Cl)ccc1CC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826326949 608015382 /nfs/dbraw/zinc/01/53/82/608015382.db2.gz LSXRTAWYGJPGKU-UHFFFAOYSA-N -1 3 363.208 3.058 20 0 FGADHM Cc1nc(Cl)ccc1CC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826326949 608015383 /nfs/dbraw/zinc/01/53/83/608015383.db2.gz LSXRTAWYGJPGKU-UHFFFAOYSA-N -1 3 363.208 3.058 20 0 FGADHM C[C@H](NC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccc[nH]1 ZINC000824505870 608031647 /nfs/dbraw/zinc/03/16/47/608031647.db2.gz IRGIJIHGXSNUJO-QMMMGPOBSA-N -1 3 365.319 3.096 20 0 FGADHM C[C@H](NC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccc[nH]1 ZINC000824505870 608031648 /nfs/dbraw/zinc/03/16/48/608031648.db2.gz IRGIJIHGXSNUJO-QMMMGPOBSA-N -1 3 365.319 3.096 20 0 FGADHM CN(C(=O)CCCc1cc(F)ccc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000825817713 608058178 /nfs/dbraw/zinc/05/81/78/608058178.db2.gz NFYZUCICKPKRCW-UHFFFAOYSA-N -1 3 357.364 3.131 20 0 FGADHM CN(C(=O)CCCc1cc(F)ccc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000825817713 608058179 /nfs/dbraw/zinc/05/81/79/608058179.db2.gz NFYZUCICKPKRCW-UHFFFAOYSA-N -1 3 357.364 3.131 20 0 FGADHM C[C@H](c1ccccc1F)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824772976 608068435 /nfs/dbraw/zinc/06/84/35/608068435.db2.gz XKDJBLPFYGSZSF-FZKQIMNGSA-N -1 3 353.401 3.140 20 0 FGADHM C[C@H](c1ccccc1F)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824772976 608068436 /nfs/dbraw/zinc/06/84/36/608068436.db2.gz XKDJBLPFYGSZSF-FZKQIMNGSA-N -1 3 353.401 3.140 20 0 FGADHM C[C@@H](c1ccc(F)cc1)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824761759 608068494 /nfs/dbraw/zinc/06/84/94/608068494.db2.gz CGZFNIQCMDLRQF-UGSOOPFHSA-N -1 3 353.401 3.140 20 0 FGADHM C[C@@H](c1ccc(F)cc1F)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824761403 608069558 /nfs/dbraw/zinc/06/95/58/608069558.db2.gz ACMQJYQNAVPYTL-KPZWWZAWSA-N -1 3 371.391 3.279 20 0 FGADHM C[C@@H](c1ccc(F)cc1F)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824761403 608069559 /nfs/dbraw/zinc/06/95/59/608069559.db2.gz ACMQJYQNAVPYTL-KPZWWZAWSA-N -1 3 371.391 3.279 20 0 FGADHM C[C@@H](CC(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1)CC(C)(C)C ZINC000824385344 608085402 /nfs/dbraw/zinc/08/54/02/608085402.db2.gz QVCISLHNYNPIGJ-WMLDXEAASA-N -1 3 371.485 3.229 20 0 FGADHM C[C@@H](CC(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1)CC(C)(C)C ZINC000824385344 608085403 /nfs/dbraw/zinc/08/54/03/608085403.db2.gz QVCISLHNYNPIGJ-WMLDXEAASA-N -1 3 371.485 3.229 20 0 FGADHM CC(C)CCCCCC(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824243534 608086908 /nfs/dbraw/zinc/08/69/08/608086908.db2.gz ISNCSVNNVXRSNF-GOSISDBHSA-N -1 3 371.485 3.373 20 0 FGADHM CC(C)CCCCCC(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824243534 608086909 /nfs/dbraw/zinc/08/69/09/608086909.db2.gz ISNCSVNNVXRSNF-GOSISDBHSA-N -1 3 371.485 3.373 20 0 FGADHM CN(Cc1ccc(Cl)c(F)c1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000825966021 608100506 /nfs/dbraw/zinc/10/05/06/608100506.db2.gz KNAPZAVHZUZSIR-UHFFFAOYSA-N -1 3 360.780 3.323 20 0 FGADHM CN(Cc1ccc(Cl)c(F)c1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000825966021 608100507 /nfs/dbraw/zinc/10/05/07/608100507.db2.gz KNAPZAVHZUZSIR-UHFFFAOYSA-N -1 3 360.780 3.323 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)[C@@H](C)c1c(F)cccc1F ZINC000826183902 608117510 /nfs/dbraw/zinc/11/75/10/608117510.db2.gz DUOXNZTWIQEYRS-JTQLQIEISA-N -1 3 374.347 3.000 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)[C@@H](C)c1c(F)cccc1F ZINC000826183902 608117511 /nfs/dbraw/zinc/11/75/11/608117511.db2.gz DUOXNZTWIQEYRS-JTQLQIEISA-N -1 3 374.347 3.000 20 0 FGADHM CCC[C@@H](C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)C(C)C ZINC000825225051 608120519 /nfs/dbraw/zinc/12/05/19/608120519.db2.gz KGYFQZVVRLGDIR-LLVKDONJSA-N -1 3 353.373 3.479 20 0 FGADHM CCC[C@@H](C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)C(C)C ZINC000825225051 608120520 /nfs/dbraw/zinc/12/05/20/608120520.db2.gz KGYFQZVVRLGDIR-LLVKDONJSA-N -1 3 353.373 3.479 20 0 FGADHM C[C@@H]1CCCC[C@H]1CNc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1 ZINC000824936501 608131488 /nfs/dbraw/zinc/13/14/88/608131488.db2.gz IHLXWSBSEGUMKN-CABCVRRESA-N -1 3 370.501 3.066 20 0 FGADHM C[C@@H]1CCCC[C@H]1CNc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1 ZINC000824936501 608131489 /nfs/dbraw/zinc/13/14/89/608131489.db2.gz IHLXWSBSEGUMKN-CABCVRRESA-N -1 3 370.501 3.066 20 0 FGADHM CCn1c2ccc(Cl)cc2nc1NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825793067 608168097 /nfs/dbraw/zinc/16/80/97/608168097.db2.gz LVZFTFHTKXIPOY-UHFFFAOYSA-N -1 3 367.800 3.142 20 0 FGADHM CCn1c2ccc(Cl)cc2nc1NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825793067 608168098 /nfs/dbraw/zinc/16/80/98/608168098.db2.gz LVZFTFHTKXIPOY-UHFFFAOYSA-N -1 3 367.800 3.142 20 0 FGADHM CCn1c(NC(=O)c2ccc(Cl)s2)nc2cc(-c3nnn[n-]3)ccc21 ZINC000825792755 608174453 /nfs/dbraw/zinc/17/44/53/608174453.db2.gz CVKJJENXJBGJPU-UHFFFAOYSA-N -1 3 373.829 3.204 20 0 FGADHM CCn1c(NC(=O)c2ccc(Cl)s2)nc2cc(-c3nn[n-]n3)ccc21 ZINC000825792755 608174454 /nfs/dbraw/zinc/17/44/54/608174454.db2.gz CVKJJENXJBGJPU-UHFFFAOYSA-N -1 3 373.829 3.204 20 0 FGADHM COc1c(F)ccc(F)c1C(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826166952 608184088 /nfs/dbraw/zinc/18/40/88/608184088.db2.gz IYOAKYVUEZGKFV-VIFPVBQESA-N -1 3 360.320 3.072 20 0 FGADHM COc1c(F)ccc(F)c1C(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826166952 608184089 /nfs/dbraw/zinc/18/40/89/608184089.db2.gz IYOAKYVUEZGKFV-VIFPVBQESA-N -1 3 360.320 3.072 20 0 FGADHM CC(C)c1nn(C)c(Cl)c1C(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000824364354 608184670 /nfs/dbraw/zinc/18/46/70/608184670.db2.gz CHCIEUXBBGLUAX-JTQLQIEISA-N -1 3 374.832 3.295 20 0 FGADHM CC(C)c1nn(C)c(Cl)c1C(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000824364354 608184671 /nfs/dbraw/zinc/18/46/71/608184671.db2.gz CHCIEUXBBGLUAX-JTQLQIEISA-N -1 3 374.832 3.295 20 0 FGADHM CC[C@@H](C)[C@H](O)C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000825061848 608198467 /nfs/dbraw/zinc/19/84/67/608198467.db2.gz ZHMQGEDTQNTGEL-PXAZEXFGSA-N -1 3 367.409 3.005 20 0 FGADHM CC[C@@H](C)[C@H](O)C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000825061848 608198469 /nfs/dbraw/zinc/19/84/69/608198469.db2.gz ZHMQGEDTQNTGEL-PXAZEXFGSA-N -1 3 367.409 3.005 20 0 FGADHM CN(C)C(=O)[C@@H](Sc1cccc(Cl)c1-c1nnn[n-]1)c1ccccc1 ZINC000825833171 608206942 /nfs/dbraw/zinc/20/69/42/608206942.db2.gz AJAJHWPDERAVQA-HNNXBMFYSA-N -1 3 373.869 3.442 20 0 FGADHM CN(C)C(=O)[C@@H](Sc1cccc(Cl)c1-c1nn[n-]n1)c1ccccc1 ZINC000825833171 608206943 /nfs/dbraw/zinc/20/69/43/608206943.db2.gz AJAJHWPDERAVQA-HNNXBMFYSA-N -1 3 373.869 3.442 20 0 FGADHM CN(C[C@@H]1OCCc2ccccc21)c1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000825914753 608225480 /nfs/dbraw/zinc/22/54/80/608225480.db2.gz MWDNGDLHPQRECC-IBGZPJMESA-N -1 3 372.432 3.165 20 0 FGADHM CN(C[C@@H]1OCCc2ccccc21)c1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000825914753 608225482 /nfs/dbraw/zinc/22/54/82/608225482.db2.gz MWDNGDLHPQRECC-IBGZPJMESA-N -1 3 372.432 3.165 20 0 FGADHM c1cc(CCNc2ccc3cc(-c4nnn[n-]4)ccc3n2)cc2c1OCC2 ZINC000826518575 608229679 /nfs/dbraw/zinc/22/96/79/608229679.db2.gz RYWDKCWNHVAGET-UHFFFAOYSA-N -1 3 358.405 3.004 20 0 FGADHM c1cc(CCNc2ccc3cc(-c4nn[n-]n4)ccc3n2)cc2c1OCC2 ZINC000826518575 608229681 /nfs/dbraw/zinc/22/96/81/608229681.db2.gz RYWDKCWNHVAGET-UHFFFAOYSA-N -1 3 358.405 3.004 20 0 FGADHM C[C@H](C[C@H](O)c1ccccc1)Nc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000824390506 608233351 /nfs/dbraw/zinc/23/33/51/608233351.db2.gz ASDIEYQWIZWELG-ACJLOTCBSA-N -1 3 360.421 3.339 20 0 FGADHM C[C@H](C[C@H](O)c1ccccc1)Nc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000824390506 608233353 /nfs/dbraw/zinc/23/33/53/608233353.db2.gz ASDIEYQWIZWELG-ACJLOTCBSA-N -1 3 360.421 3.339 20 0 FGADHM c1cc2nc(N[C@@H]3CC[C@H]4SCCS[C@H]34)ccc2cc1-c1nnn[n-]1 ZINC000826518528 608235553 /nfs/dbraw/zinc/23/55/53/608235553.db2.gz QOSIYTVGDJUOFU-IIAWOOMASA-N -1 3 370.507 3.206 20 0 FGADHM c1cc2nc(N[C@@H]3CC[C@H]4SCCS[C@H]34)ccc2cc1-c1nn[n-]n1 ZINC000826518528 608235555 /nfs/dbraw/zinc/23/55/55/608235555.db2.gz QOSIYTVGDJUOFU-IIAWOOMASA-N -1 3 370.507 3.206 20 0 FGADHM COc1ccc([C@@H](OC)[C@@H](C)Nc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000826189781 608239105 /nfs/dbraw/zinc/23/91/05/608239105.db2.gz DXFRMXSYEZWDEL-DIFFPNOSSA-N -1 3 357.389 3.203 20 0 FGADHM COc1ccc([C@@H](OC)[C@@H](C)Nc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000826189781 608239106 /nfs/dbraw/zinc/23/91/06/608239106.db2.gz DXFRMXSYEZWDEL-DIFFPNOSSA-N -1 3 357.389 3.203 20 0 FGADHM O=C(C=Cc1ccc2[nH]ccc2c1)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000826401333 608252497 /nfs/dbraw/zinc/25/24/97/608252497.db2.gz VTTYACGJIMYBKI-QHHAFSJGSA-N -1 3 363.352 3.244 20 0 FGADHM O=C(C=Cc1ccc2[nH]ccc2c1)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000826401333 608252499 /nfs/dbraw/zinc/25/24/99/608252499.db2.gz VTTYACGJIMYBKI-QHHAFSJGSA-N -1 3 363.352 3.244 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1COc1c(F)c(F)cc(F)c1F ZINC000826173187 608260404 /nfs/dbraw/zinc/26/04/04/608260404.db2.gz RBGDHCDKKARIDX-UHFFFAOYSA-N -1 3 354.263 3.011 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1COc1c(F)c(F)cc(F)c1F ZINC000826173187 608260405 /nfs/dbraw/zinc/26/04/05/608260405.db2.gz RBGDHCDKKARIDX-UHFFFAOYSA-N -1 3 354.263 3.011 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H](C)c1cccc(F)c1F ZINC000826185748 608276151 /nfs/dbraw/zinc/27/61/51/608276151.db2.gz SGVYNZCBMBVAKY-VIFPVBQESA-N -1 3 374.351 3.036 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@H](C)c1cccc(F)c1F ZINC000826185748 608276152 /nfs/dbraw/zinc/27/61/52/608276152.db2.gz SGVYNZCBMBVAKY-VIFPVBQESA-N -1 3 374.351 3.036 20 0 FGADHM Fc1ccc2c(c1)CC[C@H]2Nc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC000826375841 608277599 /nfs/dbraw/zinc/27/75/99/608277599.db2.gz DNUTXDNGWOBNCS-QGZVFWFLSA-N -1 3 350.401 3.379 20 0 FGADHM Fc1ccc2c(c1)CC[C@H]2Nc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC000826375841 608277601 /nfs/dbraw/zinc/27/76/01/608277601.db2.gz DNUTXDNGWOBNCS-QGZVFWFLSA-N -1 3 350.401 3.379 20 0 FGADHM Cc1ccsc1CCNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000826315989 608294457 /nfs/dbraw/zinc/29/44/57/608294457.db2.gz ABPSRMHUMYIIDD-UHFFFAOYSA-N -1 3 354.361 3.305 20 0 FGADHM Cc1ccsc1CCNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000826315989 608294459 /nfs/dbraw/zinc/29/44/59/608294459.db2.gz ABPSRMHUMYIIDD-UHFFFAOYSA-N -1 3 354.361 3.305 20 0 FGADHM CC(C)(C)OC(=O)CCCCNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000824099859 608295478 /nfs/dbraw/zinc/29/54/78/608295478.db2.gz KIQOIDAMUNQBCF-UHFFFAOYSA-N -1 3 351.838 3.444 20 0 FGADHM CC(C)(C)OC(=O)CCCCNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000824099859 608295479 /nfs/dbraw/zinc/29/54/79/608295479.db2.gz KIQOIDAMUNQBCF-UHFFFAOYSA-N -1 3 351.838 3.444 20 0 FGADHM O=C(NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)[C@H]1C[C@@H]1C1CC1 ZINC000826440225 608305953 /nfs/dbraw/zinc/30/59/53/608305953.db2.gz DWEVWKRVMIDPSA-MOPGFXCFSA-N -1 3 359.433 3.196 20 0 FGADHM O=C(NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)[C@H]1C[C@@H]1C1CC1 ZINC000826440225 608305954 /nfs/dbraw/zinc/30/59/54/608305954.db2.gz DWEVWKRVMIDPSA-MOPGFXCFSA-N -1 3 359.433 3.196 20 0 FGADHM CC(C)c1ccc(C[C@@H](C)NC(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824447752 608313505 /nfs/dbraw/zinc/31/35/05/608313505.db2.gz CHSDCYHQRDRYCO-OAHLLOKOSA-N -1 3 363.465 3.280 20 0 FGADHM CC(C)c1ccc(C[C@@H](C)NC(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824447752 608313506 /nfs/dbraw/zinc/31/35/06/608313506.db2.gz CHSDCYHQRDRYCO-OAHLLOKOSA-N -1 3 363.465 3.280 20 0 FGADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)N[C@H]1CCCc2cc(F)ccc21 ZINC000826408861 608315774 /nfs/dbraw/zinc/31/57/74/608315774.db2.gz XZTCARYDKHUHLH-SFHVURJKSA-N -1 3 365.412 3.132 20 0 FGADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)N[C@H]1CCCc2cc(F)ccc21 ZINC000826408861 608315776 /nfs/dbraw/zinc/31/57/76/608315776.db2.gz XZTCARYDKHUHLH-SFHVURJKSA-N -1 3 365.412 3.132 20 0 FGADHM Cc1nn(-c2ccccc2)c(CN2CCC[C@H]3CCC[C@H]32)c1-c1nnn[n-]1 ZINC000826332480 608316048 /nfs/dbraw/zinc/31/60/48/608316048.db2.gz VTQYJLFIJBOZEZ-NVXWUHKLSA-N -1 3 363.469 3.125 20 0 FGADHM CCN(C(=O)[C@H](C)OCCC(C)C)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825362658 608342901 /nfs/dbraw/zinc/34/29/01/608342901.db2.gz QJJOYUHXGNZIPG-LBPRGKRZSA-N -1 3 365.865 3.324 20 0 FGADHM CCN(C(=O)[C@H](C)OCCC(C)C)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825362658 608342902 /nfs/dbraw/zinc/34/29/02/608342902.db2.gz QJJOYUHXGNZIPG-LBPRGKRZSA-N -1 3 365.865 3.324 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)C[C@@H](C)c1ccccc1 ZINC000826171672 608343985 /nfs/dbraw/zinc/34/39/85/608343985.db2.gz VBNVVLVFCAPWFB-CYBMUJFWSA-N -1 3 352.394 3.112 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)C[C@@H](C)c1ccccc1 ZINC000826171672 608343987 /nfs/dbraw/zinc/34/39/87/608343987.db2.gz VBNVVLVFCAPWFB-CYBMUJFWSA-N -1 3 352.394 3.112 20 0 FGADHM CCN(C(=O)[C@H](C)c1c(C)noc1C)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825361141 608344280 /nfs/dbraw/zinc/34/42/80/608344280.db2.gz CLDBBYDAYYBYIT-SECBINFHSA-N -1 3 374.832 3.282 20 0 FGADHM CCN(C(=O)[C@H](C)c1c(C)noc1C)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825361141 608344282 /nfs/dbraw/zinc/34/42/82/608344282.db2.gz CLDBBYDAYYBYIT-SECBINFHSA-N -1 3 374.832 3.282 20 0 FGADHM CCN(C(=O)Cc1cccc(C)c1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825376716 608347446 /nfs/dbraw/zinc/34/74/46/608347446.db2.gz MESQPZHXIFLYRS-UHFFFAOYSA-N -1 3 355.829 3.424 20 0 FGADHM CCN(C(=O)Cc1cccc(C)c1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825376716 608347448 /nfs/dbraw/zinc/34/74/48/608347448.db2.gz MESQPZHXIFLYRS-UHFFFAOYSA-N -1 3 355.829 3.424 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1CN(C)[C@H](C)c1cc(F)ccc1F ZINC000826167364 608354228 /nfs/dbraw/zinc/35/42/28/608354228.db2.gz ABWXCWQPDXOQCE-LLVKDONJSA-N -1 3 359.380 3.347 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1CN(C)[C@H](C)c1cc(F)ccc1F ZINC000826167364 608354230 /nfs/dbraw/zinc/35/42/30/608354230.db2.gz ABWXCWQPDXOQCE-LLVKDONJSA-N -1 3 359.380 3.347 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1CN1CCCC[C@H]1c1nc(C)cs1 ZINC000826169414 608356769 /nfs/dbraw/zinc/35/67/69/608356769.db2.gz RSNVPZWWZSGQND-HNNXBMFYSA-N -1 3 370.482 3.367 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1CN1CCCC[C@H]1c1nc(C)cs1 ZINC000826169414 608356772 /nfs/dbraw/zinc/35/67/72/608356772.db2.gz RSNVPZWWZSGQND-HNNXBMFYSA-N -1 3 370.482 3.367 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)C/C=C/c1cccc(F)c1 ZINC000826171558 608362147 /nfs/dbraw/zinc/36/21/47/608362147.db2.gz QYUDZGZJUMMVBV-HWKANZROSA-N -1 3 368.368 3.161 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)C/C=C/c1cccc(F)c1 ZINC000826171558 608362149 /nfs/dbraw/zinc/36/21/49/608362149.db2.gz QYUDZGZJUMMVBV-HWKANZROSA-N -1 3 368.368 3.161 20 0 FGADHM Fc1cc(-c2nnn[n-]2)cc(F)c1NCc1nc(-c2ccccc2)c[nH]1 ZINC000826371923 608376460 /nfs/dbraw/zinc/37/64/60/608376460.db2.gz ZIOOHLXWSZXBLZ-UHFFFAOYSA-N -1 3 353.336 3.147 20 0 FGADHM Fc1cc(-c2nn[n-]n2)cc(F)c1NCc1nc(-c2ccccc2)c[nH]1 ZINC000826371923 608376462 /nfs/dbraw/zinc/37/64/62/608376462.db2.gz ZIOOHLXWSZXBLZ-UHFFFAOYSA-N -1 3 353.336 3.147 20 0 FGADHM CCc1ccc(N[C@@H](C)C(=O)Nc2ccccc2-c2nnn[n-]2)cc1CC ZINC000825717096 608390189 /nfs/dbraw/zinc/39/01/89/608390189.db2.gz FWWFIGXMIVDBIB-ZDUSSCGKSA-N -1 3 364.453 3.431 20 0 FGADHM CCc1ccc(N[C@@H](C)C(=O)Nc2ccccc2-c2nn[n-]n2)cc1CC ZINC000825717096 608390191 /nfs/dbraw/zinc/39/01/91/608390191.db2.gz FWWFIGXMIVDBIB-ZDUSSCGKSA-N -1 3 364.453 3.431 20 0 FGADHM Fc1c(CN[C@H](c2nccs2)c2ccccc2)cccc1-c1nnn[n-]1 ZINC000826371208 608403278 /nfs/dbraw/zinc/40/32/78/608403278.db2.gz XFIXZAVRBBVGJZ-INIZCTEOSA-N -1 3 366.425 3.342 20 0 FGADHM Fc1c(CN[C@H](c2nccs2)c2ccccc2)cccc1-c1nn[n-]n1 ZINC000826371208 608403280 /nfs/dbraw/zinc/40/32/80/608403280.db2.gz XFIXZAVRBBVGJZ-INIZCTEOSA-N -1 3 366.425 3.342 20 0 FGADHM Clc1cc(N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)nc(C2CC2)n1 ZINC000826351098 608407313 /nfs/dbraw/zinc/40/73/13/608407313.db2.gz XAFOAPOAZMNYJC-UHFFFAOYSA-N -1 3 367.844 3.357 20 0 FGADHM Clc1cc(N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)nc(C2CC2)n1 ZINC000826351098 608407315 /nfs/dbraw/zinc/40/73/15/608407315.db2.gz XAFOAPOAZMNYJC-UHFFFAOYSA-N -1 3 367.844 3.357 20 0 FGADHM O=C(NCCC1=CCCC1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826436141 608426616 /nfs/dbraw/zinc/42/66/16/608426616.db2.gz JQVFEJUNWYKPEI-UHFFFAOYSA-N -1 3 364.453 3.166 20 0 FGADHM O=C(NCCC1=CCCC1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826436141 608426617 /nfs/dbraw/zinc/42/66/17/608426617.db2.gz JQVFEJUNWYKPEI-UHFFFAOYSA-N -1 3 364.453 3.166 20 0 FGADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1)c1ccc(Br)s1 ZINC000826464835 608427528 /nfs/dbraw/zinc/42/75/28/608427528.db2.gz OIGBYDZYZAHUDK-UHFFFAOYSA-N -1 3 365.212 3.048 20 0 FGADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1)c1ccc(Br)s1 ZINC000826464835 608427529 /nfs/dbraw/zinc/42/75/29/608427529.db2.gz OIGBYDZYZAHUDK-UHFFFAOYSA-N -1 3 365.212 3.048 20 0 FGADHM Clc1ccccc1-n1ccc(NCc2cc(-c3nnn[n-]3)cs2)n1 ZINC000826353135 608428437 /nfs/dbraw/zinc/42/84/37/608428437.db2.gz CMYHDBIYBJOUDJ-UHFFFAOYSA-N -1 3 357.830 3.379 20 0 FGADHM Clc1ccccc1-n1ccc(NCc2cc(-c3nn[n-]n3)cs2)n1 ZINC000826353135 608428439 /nfs/dbraw/zinc/42/84/39/608428439.db2.gz CMYHDBIYBJOUDJ-UHFFFAOYSA-N -1 3 357.830 3.379 20 0 FGADHM CC[C@@H](NCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)c1ccccc1 ZINC000825146510 608430559 /nfs/dbraw/zinc/43/05/59/608430559.db2.gz CNCRTGJNEJQEBT-MRXNPFEDSA-N -1 3 361.409 3.158 20 0 FGADHM CSc1cccc(NC(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)c1C ZINC000826230983 608432189 /nfs/dbraw/zinc/43/21/89/608432189.db2.gz RKUWOKGMERROAK-GFCCVEGCSA-N -1 3 369.450 3.303 20 0 FGADHM CSc1cccc(NC(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)c1C ZINC000826230983 608432191 /nfs/dbraw/zinc/43/21/91/608432191.db2.gz RKUWOKGMERROAK-GFCCVEGCSA-N -1 3 369.450 3.303 20 0 FGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)c1ccc(F)cc1Cl ZINC000826466870 608436383 /nfs/dbraw/zinc/43/63/83/608436383.db2.gz WPDWARBZURJUMC-UHFFFAOYSA-N -1 3 350.712 3.155 20 0 FGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)c1ccc(F)cc1Cl ZINC000826466870 608436385 /nfs/dbraw/zinc/43/63/85/608436385.db2.gz WPDWARBZURJUMC-UHFFFAOYSA-N -1 3 350.712 3.155 20 0 FGADHM C[C@@H](OC(=O)CCC(=O)c1cccc(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824712761 608452389 /nfs/dbraw/zinc/45/23/89/608452389.db2.gz CUSMLQGCEWUOMQ-GFCCVEGCSA-N -1 3 368.368 3.273 20 0 FGADHM C[C@@H](OC(=O)CCC(=O)c1cccc(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824712761 608452390 /nfs/dbraw/zinc/45/23/90/608452390.db2.gz CUSMLQGCEWUOMQ-GFCCVEGCSA-N -1 3 368.368 3.273 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CCc2cccc(F)c2C1 ZINC000826452386 608469912 /nfs/dbraw/zinc/46/99/12/608469912.db2.gz RJAASNIMNVDZNZ-UHFFFAOYSA-N -1 3 372.791 3.249 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CCc2cccc(F)c2C1 ZINC000826452386 608469913 /nfs/dbraw/zinc/46/99/13/608469913.db2.gz RJAASNIMNVDZNZ-UHFFFAOYSA-N -1 3 372.791 3.249 20 0 FGADHM COc1ccc(CCOc2c(Cl)cc(-c3nnn[n-]3)cc2OC)cc1 ZINC000826192679 608475568 /nfs/dbraw/zinc/47/55/68/608475568.db2.gz WSFXKQVDIIAVEC-UHFFFAOYSA-N -1 3 360.801 3.159 20 0 FGADHM COc1ccc(CCOc2c(Cl)cc(-c3nn[n-]n3)cc2OC)cc1 ZINC000826192679 608475570 /nfs/dbraw/zinc/47/55/70/608475570.db2.gz WSFXKQVDIIAVEC-UHFFFAOYSA-N -1 3 360.801 3.159 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H](C)c1ccccc1Cl ZINC000826186550 608479040 /nfs/dbraw/zinc/47/90/40/608479040.db2.gz YMFBICCWIVDJFG-JTQLQIEISA-N -1 3 372.816 3.411 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@H](C)c1ccccc1Cl ZINC000826186550 608479042 /nfs/dbraw/zinc/47/90/42/608479042.db2.gz YMFBICCWIVDJFG-JTQLQIEISA-N -1 3 372.816 3.411 20 0 FGADHM c1sc(C2CC2)nc1CN[C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000826518116 608511927 /nfs/dbraw/zinc/51/19/27/608511927.db2.gz CDGCTZAVKGAOKC-MRXNPFEDSA-N -1 3 352.467 3.368 20 0 FGADHM COc1nc2ccccc2cc1CN(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000826221572 608522900 /nfs/dbraw/zinc/52/29/00/608522900.db2.gz LDVFKDLRYIJTJE-UHFFFAOYSA-N -1 3 360.421 3.056 20 0 FGADHM CSc1ccc(C)c(N[C@H](C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826230134 608581368 /nfs/dbraw/zinc/58/13/68/608581368.db2.gz FWDRSQXPTQHNNQ-GFCCVEGCSA-N -1 3 368.466 3.336 20 0 FGADHM CSc1ccc(C)c(N[C@H](C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826230134 608581370 /nfs/dbraw/zinc/58/13/70/608581370.db2.gz FWDRSQXPTQHNNQ-GFCCVEGCSA-N -1 3 368.466 3.336 20 0 FGADHM Clc1nn(CCCOc2ccc(-c3nn[n-]n3)cc2)c2ccccc12 ZINC000826353928 608584636 /nfs/dbraw/zinc/58/46/36/608584636.db2.gz JRBPXMXRCVBDDF-UHFFFAOYSA-N -1 3 354.801 3.339 20 0 FGADHM Cc1noc(C)c1NC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826339569 608605620 /nfs/dbraw/zinc/60/56/20/608605620.db2.gz JWRFTIYKURVFSI-UHFFFAOYSA-N -1 3 367.291 3.134 20 0 FGADHM Cc1noc(C)c1NC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826339569 608605622 /nfs/dbraw/zinc/60/56/22/608605622.db2.gz JWRFTIYKURVFSI-UHFFFAOYSA-N -1 3 367.291 3.134 20 0 FGADHM Fc1c(CN2CCO[C@@H](c3ccc(Cl)cc3)C2)cccc1-c1nnn[n-]1 ZINC000826371072 608645611 /nfs/dbraw/zinc/64/56/11/608645611.db2.gz RCTHINYHWMJKED-MRXNPFEDSA-N -1 3 373.819 3.233 20 0 FGADHM Fc1c(CN2CCO[C@@H](c3ccc(Cl)cc3)C2)cccc1-c1nn[n-]n1 ZINC000826371072 608645614 /nfs/dbraw/zinc/64/56/14/608645614.db2.gz RCTHINYHWMJKED-MRXNPFEDSA-N -1 3 373.819 3.233 20 0 FGADHM C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)N1Cc1cccc(-c2nnn[n-]2)c1F ZINC000825005906 608647093 /nfs/dbraw/zinc/64/70/93/608647093.db2.gz DZAODLCULPCOFF-PJIJBLCYSA-N -1 3 367.428 3.356 20 0 FGADHM C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)N1Cc1cccc(-c2nn[n-]n2)c1F ZINC000825005906 608647098 /nfs/dbraw/zinc/64/70/98/608647098.db2.gz DZAODLCULPCOFF-PJIJBLCYSA-N -1 3 367.428 3.356 20 0 FGADHM Clc1ccc([C@@H]2CCN2Cc2cnc3ccc(-c4nnn[n-]4)cn23)cc1 ZINC000826351677 608728905 /nfs/dbraw/zinc/72/89/05/608728905.db2.gz VVRCTDSWQBVMME-INIZCTEOSA-N -1 3 365.828 3.115 20 0 FGADHM Clc1ccc([C@@H]2CCN2Cc2cnc3ccc(-c4nn[n-]n4)cn23)cc1 ZINC000826351677 608728906 /nfs/dbraw/zinc/72/89/06/608728906.db2.gz VVRCTDSWQBVMME-INIZCTEOSA-N -1 3 365.828 3.115 20 0 FGADHM CCc1ccc(N[C@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)cc1C ZINC000825717641 608751782 /nfs/dbraw/zinc/75/17/82/608751782.db2.gz NXTPCOVXOCKUTQ-HNNXBMFYSA-N -1 3 368.466 3.016 20 0 FGADHM CCc1ccc(N[C@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)cc1C ZINC000825717641 608751784 /nfs/dbraw/zinc/75/17/84/608751784.db2.gz NXTPCOVXOCKUTQ-HNNXBMFYSA-N -1 3 368.466 3.016 20 0 FGADHM Cc1csc(=Nc2ccccc2-c2nnn[n-]2)n1[C@@H]1CCO[C@H](C)C1 ZINC000826320458 608754697 /nfs/dbraw/zinc/75/46/97/608754697.db2.gz RLDKTXJKXUWUEH-CHWSQXEVSA-N -1 3 356.455 3.011 20 0 FGADHM Cc1csc(=Nc2ccccc2-c2nn[n-]n2)n1[C@@H]1CCO[C@H](C)C1 ZINC000826320458 608754700 /nfs/dbraw/zinc/75/47/00/608754700.db2.gz RLDKTXJKXUWUEH-CHWSQXEVSA-N -1 3 356.455 3.011 20 0 FGADHM COc1ccc2oc([C@@H](C)Nc3cnccc3-c3nnn[n-]3)c(C)c2c1 ZINC000826213996 608781413 /nfs/dbraw/zinc/78/14/13/608781413.db2.gz WANDJLJYMAWPCI-LLVKDONJSA-N -1 3 350.382 3.498 20 0 FGADHM COc1ccc2oc([C@@H](C)Nc3cnccc3-c3nn[n-]n3)c(C)c2c1 ZINC000826213996 608781414 /nfs/dbraw/zinc/78/14/14/608781414.db2.gz WANDJLJYMAWPCI-LLVKDONJSA-N -1 3 350.382 3.498 20 0 FGADHM FC(F)Oc1ccc(N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)nc1 ZINC000826369919 608796513 /nfs/dbraw/zinc/79/65/13/608796513.db2.gz VPASXQFPUQDFNQ-UHFFFAOYSA-N -1 3 370.363 3.157 20 0 FGADHM FC(F)Oc1ccc(N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)nc1 ZINC000826369919 608796516 /nfs/dbraw/zinc/79/65/16/608796516.db2.gz VPASXQFPUQDFNQ-UHFFFAOYSA-N -1 3 370.363 3.157 20 0 FGADHM CCCOc1cc(C)ccc1NCc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000825338954 608858998 /nfs/dbraw/zinc/85/89/98/608858998.db2.gz LHBWONKPUCLJDF-UHFFFAOYSA-N -1 3 363.425 3.224 20 0 FGADHM CCCOc1cc(C)ccc1NCc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000825338954 608859000 /nfs/dbraw/zinc/85/90/00/608859000.db2.gz LHBWONKPUCLJDF-UHFFFAOYSA-N -1 3 363.425 3.224 20 0 FGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1)c1ccc([C@@H]2CCCOC2)cc1 ZINC000826466373 609136739 /nfs/dbraw/zinc/13/67/39/609136739.db2.gz ZDWYPKMAGFLNTF-GOSISDBHSA-N -1 3 364.405 3.118 20 0 FGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1)c1ccc([C@@H]2CCCOC2)cc1 ZINC000826466373 609136742 /nfs/dbraw/zinc/13/67/42/609136742.db2.gz ZDWYPKMAGFLNTF-GOSISDBHSA-N -1 3 364.405 3.118 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N1CCC[C@@H]1/C=C\c1ccccc1 ZINC000826422642 609138143 /nfs/dbraw/zinc/13/81/43/609138143.db2.gz HBOSZMKLGARBKW-YAINUAMHSA-N -1 3 359.433 3.114 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N1CCC[C@@H]1/C=C\c1ccccc1 ZINC000826422642 609138145 /nfs/dbraw/zinc/13/81/45/609138145.db2.gz HBOSZMKLGARBKW-YAINUAMHSA-N -1 3 359.433 3.114 20 0 FGADHM CCN(C)[C@@H](C(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000825391198 609144663 /nfs/dbraw/zinc/14/46/63/609144663.db2.gz WJWQXUUXLOIYSJ-RDTXWAMCSA-N -1 3 365.437 3.164 20 0 FGADHM CCN(C)[C@@H](C(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000825391198 609144665 /nfs/dbraw/zinc/14/46/65/609144665.db2.gz WJWQXUUXLOIYSJ-RDTXWAMCSA-N -1 3 365.437 3.164 20 0 FGADHM C[C@@H](NCc1ccn(C2CCCC2)n1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824627314 609153528 /nfs/dbraw/zinc/15/35/28/609153528.db2.gz WUPPGCJMYBKGHI-GFCCVEGCSA-N -1 3 355.421 3.168 20 0 FGADHM C[C@@H](NCc1ccn(C2CCCC2)n1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824627314 609153530 /nfs/dbraw/zinc/15/35/30/609153530.db2.gz WUPPGCJMYBKGHI-GFCCVEGCSA-N -1 3 355.421 3.168 20 0 FGADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N[C@H]1CCO[C@H](CC(C)C)C1 ZINC000826304751 609172179 /nfs/dbraw/zinc/17/21/79/609172179.db2.gz WREMYMADTZSRCN-LSDHHAIUSA-N -1 3 366.469 3.151 20 0 FGADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N[C@H]1CCO[C@H](CC(C)C)C1 ZINC000826304751 609172181 /nfs/dbraw/zinc/17/21/81/609172181.db2.gz WREMYMADTZSRCN-LSDHHAIUSA-N -1 3 366.469 3.151 20 0 FGADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2ccnc(O[C@H](C)CC)c2)s1 ZINC000825694125 609175759 /nfs/dbraw/zinc/17/57/59/609175759.db2.gz KXJYFENGRBBRHD-SNVBAGLBSA-N -1 3 372.454 3.315 20 0 FGADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2ccnc(O[C@H](C)CC)c2)s1 ZINC000825694125 609175761 /nfs/dbraw/zinc/17/57/61/609175761.db2.gz KXJYFENGRBBRHD-SNVBAGLBSA-N -1 3 372.454 3.315 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)C1(c2ccc(F)cc2F)CCC1 ZINC000826453414 609184585 /nfs/dbraw/zinc/18/45/85/609184585.db2.gz JWYNBXRSKCHZEC-UHFFFAOYSA-N -1 3 373.338 3.344 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)C1(c2ccc(F)cc2F)CCC1 ZINC000826453414 609184586 /nfs/dbraw/zinc/18/45/86/609184586.db2.gz JWYNBXRSKCHZEC-UHFFFAOYSA-N -1 3 373.338 3.344 20 0 FGADHM Cc1cccc(Oc2ccccc2CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)c1 ZINC000826301032 609209811 /nfs/dbraw/zinc/20/98/11/609209811.db2.gz PKBGDMLWKAJVEE-UHFFFAOYSA-N -1 3 374.404 3.226 20 0 FGADHM Cc1cccc(Oc2ccccc2CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)c1 ZINC000826301032 609209812 /nfs/dbraw/zinc/20/98/12/609209812.db2.gz PKBGDMLWKAJVEE-UHFFFAOYSA-N -1 3 374.404 3.226 20 0 FGADHM CC(C)[C@@H](c1ccccc1Cl)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000824215642 609212611 /nfs/dbraw/zinc/21/26/11/609212611.db2.gz MKSWGOIOYFJTIL-HNNXBMFYSA-N -1 3 358.833 3.318 20 0 FGADHM CC(C)[C@@H](c1ccccc1Cl)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000824215642 609212613 /nfs/dbraw/zinc/21/26/13/609212613.db2.gz MKSWGOIOYFJTIL-HNNXBMFYSA-N -1 3 358.833 3.318 20 0 FGADHM Cc1cccc([C@H]2CCCCCN2C(=O)c2c[nH]c(-c3nnn[n-]3)c2)c1 ZINC000826297361 609214965 /nfs/dbraw/zinc/21/49/65/609214965.db2.gz DXRPWXNYTQYXKO-QGZVFWFLSA-N -1 3 350.426 3.261 20 0 FGADHM Cc1cccc([C@H]2CCCCCN2C(=O)c2c[nH]c(-c3nn[n-]n3)c2)c1 ZINC000826297361 609214967 /nfs/dbraw/zinc/21/49/67/609214967.db2.gz DXRPWXNYTQYXKO-QGZVFWFLSA-N -1 3 350.426 3.261 20 0 FGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N[C@@H]1CCCOc2cc(F)ccc21 ZINC000826456681 609232828 /nfs/dbraw/zinc/23/28/28/609232828.db2.gz RJGCAJSEICJXKS-OAHLLOKOSA-N -1 3 368.372 3.041 20 0 FGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N[C@@H]1CCCOc2cc(F)ccc21 ZINC000826456681 609232830 /nfs/dbraw/zinc/23/28/30/609232830.db2.gz RJGCAJSEICJXKS-OAHLLOKOSA-N -1 3 368.372 3.041 20 0 FGADHM CC[C@H](C)Oc1cc(C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)ccn1 ZINC000825075294 609234208 /nfs/dbraw/zinc/23/42/08/609234208.db2.gz OJJWQWHUWWKEGU-STQMWFEESA-N -1 3 367.409 3.357 20 0 FGADHM CC[C@H](C)Oc1cc(C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)ccn1 ZINC000825075294 609234210 /nfs/dbraw/zinc/23/42/10/609234210.db2.gz OJJWQWHUWWKEGU-STQMWFEESA-N -1 3 367.409 3.357 20 0 FGADHM C[C@@H](Nc1ccc(O[C@H]2CCOC2)cc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824658004 609236873 /nfs/dbraw/zinc/23/68/73/609236873.db2.gz TXGVDMJTLNLHRU-WBMJQRKESA-N -1 3 369.400 3.347 20 0 FGADHM C[C@@H](Nc1ccc(O[C@H]2CCOC2)cc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824658004 609236874 /nfs/dbraw/zinc/23/68/74/609236874.db2.gz TXGVDMJTLNLHRU-WBMJQRKESA-N -1 3 369.400 3.347 20 0 FGADHM CCCCC[C@@H](C)Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1 ZINC000825268000 609242231 /nfs/dbraw/zinc/24/22/31/609242231.db2.gz POXTVSSZVWXIKN-CQSZACIVSA-N -1 3 358.490 3.209 20 0 FGADHM CCCCC[C@@H](C)Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1 ZINC000825268000 609242232 /nfs/dbraw/zinc/24/22/32/609242232.db2.gz POXTVSSZVWXIKN-CQSZACIVSA-N -1 3 358.490 3.209 20 0 FGADHM CCOC(=O)CN(Cc1ccc(-c2nnn[n-]2)s1)[C@H](C)c1ccccc1 ZINC000825517783 609261319 /nfs/dbraw/zinc/26/13/19/609261319.db2.gz MKEKQIPNSGIIQR-CYBMUJFWSA-N -1 3 371.466 3.055 20 0 FGADHM c1sc(CNc2nnc(CCCc3ccccc3)o2)cc1-c1nnn[n-]1 ZINC000826521223 609266587 /nfs/dbraw/zinc/26/65/87/609266587.db2.gz FDEGLQAZKBIRGF-UHFFFAOYSA-N -1 3 367.438 3.099 20 0 FGADHM c1sc(CNc2nnc(CCCc3ccccc3)o2)cc1-c1nn[n-]n1 ZINC000826521223 609266588 /nfs/dbraw/zinc/26/65/88/609266588.db2.gz FDEGLQAZKBIRGF-UHFFFAOYSA-N -1 3 367.438 3.099 20 0 FGADHM C[C@H](Nc1cccc(-c2nnnn2C2CC2)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824662262 609273339 /nfs/dbraw/zinc/27/33/39/609273339.db2.gz GXNNYZHTWUCHAJ-LBPRGKRZSA-N -1 3 373.424 3.028 20 0 FGADHM C[C@H](Nc1cccc(-c2nnnn2C2CC2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824662262 609273340 /nfs/dbraw/zinc/27/33/40/609273340.db2.gz GXNNYZHTWUCHAJ-LBPRGKRZSA-N -1 3 373.424 3.028 20 0 FGADHM Cc1ccc(C(C)C)cc1OCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000070730825 609282549 /nfs/dbraw/zinc/28/25/49/609282549.db2.gz COBVYHCNBFXUDS-UHFFFAOYSA-N -1 3 351.410 3.316 20 0 FGADHM Cc1ccc(C(C)C)cc1OCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000070730825 609282551 /nfs/dbraw/zinc/28/25/51/609282551.db2.gz COBVYHCNBFXUDS-UHFFFAOYSA-N -1 3 351.410 3.316 20 0 FGADHM CSc1ccccc1COC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000826231379 609292502 /nfs/dbraw/zinc/29/25/02/609292502.db2.gz JAJJLZXJOVVBTN-UHFFFAOYSA-N -1 3 354.435 3.265 20 0 FGADHM CSc1ccccc1COC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000826231379 609292503 /nfs/dbraw/zinc/29/25/03/609292503.db2.gz JAJJLZXJOVVBTN-UHFFFAOYSA-N -1 3 354.435 3.265 20 0 FGADHM CC(=O)Nc1ccc(C)cc1NC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000823999917 609297816 /nfs/dbraw/zinc/29/78/16/609297816.db2.gz MXNPGPKUTVJMPQ-UHFFFAOYSA-N -1 3 370.800 3.039 20 0 FGADHM CC(=O)Nc1ccc(C)cc1NC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000823999917 609297818 /nfs/dbraw/zinc/29/78/18/609297818.db2.gz MXNPGPKUTVJMPQ-UHFFFAOYSA-N -1 3 370.800 3.039 20 0 FGADHM O=C(c1ccc(Cl)c(-c2nnn[n-]2)c1)N1CCc2c1cccc2Cl ZINC000826472962 609302145 /nfs/dbraw/zinc/30/21/45/609302145.db2.gz DXYZWCVRVMHEIR-UHFFFAOYSA-N -1 3 360.204 3.376 20 0 FGADHM O=C(c1ccc(Cl)c(-c2nn[n-]n2)c1)N1CCc2c1cccc2Cl ZINC000826472962 609302147 /nfs/dbraw/zinc/30/21/47/609302147.db2.gz DXYZWCVRVMHEIR-UHFFFAOYSA-N -1 3 360.204 3.376 20 0 FGADHM C[C@H](CNC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1)C1CC1 ZINC000824429473 609313693 /nfs/dbraw/zinc/31/36/93/609313693.db2.gz XRKMSCSGFCBXIB-CYBMUJFWSA-N -1 3 363.421 3.435 20 0 FGADHM C[C@H](CNC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1)C1CC1 ZINC000824429473 609313695 /nfs/dbraw/zinc/31/36/95/609313695.db2.gz XRKMSCSGFCBXIB-CYBMUJFWSA-N -1 3 363.421 3.435 20 0 FGADHM CC(C)(C)OCC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000824119464 609313871 /nfs/dbraw/zinc/31/38/71/609313871.db2.gz JPPOZUGLYAITBN-UHFFFAOYSA-N -1 3 367.409 3.413 20 0 FGADHM CC(C)(C)OCC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000824119464 609313873 /nfs/dbraw/zinc/31/38/73/609313873.db2.gz JPPOZUGLYAITBN-UHFFFAOYSA-N -1 3 367.409 3.413 20 0 FGADHM CCc1cc(N[C@@H](C)C(=O)Nc2ccccc2-c2nnn[n-]2)ccc1C ZINC000825700613 609314539 /nfs/dbraw/zinc/31/45/39/609314539.db2.gz MOGWZNMTZBGSPM-ZDUSSCGKSA-N -1 3 350.426 3.177 20 0 FGADHM CCc1cc(N[C@@H](C)C(=O)Nc2ccccc2-c2nn[n-]n2)ccc1C ZINC000825700613 609314541 /nfs/dbraw/zinc/31/45/41/609314541.db2.gz MOGWZNMTZBGSPM-ZDUSSCGKSA-N -1 3 350.426 3.177 20 0 FGADHM CC(C)(C)C[C@@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)C(F)(F)F ZINC000824087558 609323412 /nfs/dbraw/zinc/32/34/12/609323412.db2.gz XCNIIDDBWUBFFT-LJTDUEICSA-N -1 3 367.375 3.363 20 0 FGADHM CC(C)(C)C[C@@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)C(F)(F)F ZINC000824087558 609323414 /nfs/dbraw/zinc/32/34/14/609323414.db2.gz XCNIIDDBWUBFFT-LJTDUEICSA-N -1 3 367.375 3.363 20 0 FGADHM COc1cccc(OCc2ccc(-c3nnn[n-]3)cc2Br)c1 ZINC000826217237 609325951 /nfs/dbraw/zinc/32/59/51/609325951.db2.gz DEWBFQUIWMEYTC-UHFFFAOYSA-N -1 3 361.199 3.217 20 0 FGADHM COc1cccc(OCc2ccc(-c3nn[n-]n3)cc2Br)c1 ZINC000826217237 609325953 /nfs/dbraw/zinc/32/59/53/609325953.db2.gz DEWBFQUIWMEYTC-UHFFFAOYSA-N -1 3 361.199 3.217 20 0 FGADHM C/C(=C\C(=O)OCc1ccc(-c2nnn[n-]2)cc1Br)C1CC1 ZINC000823943908 609342321 /nfs/dbraw/zinc/34/23/21/609342321.db2.gz UWOGBIJZYYCZPW-RMKNXTFCSA-N -1 3 363.215 3.029 20 0 FGADHM C/C(=C\C(=O)OCc1ccc(-c2nn[n-]n2)cc1Br)C1CC1 ZINC000823943908 609342322 /nfs/dbraw/zinc/34/23/22/609342322.db2.gz UWOGBIJZYYCZPW-RMKNXTFCSA-N -1 3 363.215 3.029 20 0 FGADHM C[C@@H](Nc1ccc2oc(N(C)C)nc2c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824662150 609348850 /nfs/dbraw/zinc/34/88/50/609348850.db2.gz DPGXPOQTIJHAGI-SNVBAGLBSA-N -1 3 367.388 3.386 20 0 FGADHM C[C@@H](Nc1ccc2oc(N(C)C)nc2c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824662150 609348851 /nfs/dbraw/zinc/34/88/51/609348851.db2.gz DPGXPOQTIJHAGI-SNVBAGLBSA-N -1 3 367.388 3.386 20 0 FGADHM c1cc(COc2ccc(N[C@@H]3CCCOC3)cc2)cc(-c2nnn[n-]2)c1 ZINC000826516395 609369473 /nfs/dbraw/zinc/36/94/73/609369473.db2.gz IXYXLFRYYPLNGS-QGZVFWFLSA-N -1 3 351.410 3.037 20 0 FGADHM c1cc(COc2ccc(N[C@@H]3CCCOC3)cc2)cc(-c2nn[n-]n2)c1 ZINC000826516395 609369475 /nfs/dbraw/zinc/36/94/75/609369475.db2.gz IXYXLFRYYPLNGS-QGZVFWFLSA-N -1 3 351.410 3.037 20 0 FGADHM CC[C@H]1C[C@@H](CC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)CCO1 ZINC000825182734 609375719 /nfs/dbraw/zinc/37/57/19/609375719.db2.gz LYIQUGKBQCFJAX-WMZOPIPTSA-N -1 3 371.485 3.199 20 0 FGADHM CC[C@H]1C[C@@H](CC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)CCO1 ZINC000825182734 609375721 /nfs/dbraw/zinc/37/57/21/609375721.db2.gz LYIQUGKBQCFJAX-WMZOPIPTSA-N -1 3 371.485 3.199 20 0 FGADHM CC(C)(C)C[C@H](NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)C(F)(F)F ZINC000824086915 609380459 /nfs/dbraw/zinc/38/04/59/609380459.db2.gz QJIBXDYSCGCADO-NSHDSACASA-N -1 3 374.342 3.494 20 0 FGADHM CC(C)(C)C[C@H](NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)C(F)(F)F ZINC000824086915 609380460 /nfs/dbraw/zinc/38/04/60/609380460.db2.gz QJIBXDYSCGCADO-NSHDSACASA-N -1 3 374.342 3.494 20 0 FGADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)[C@@H]1CCC(C)(C)C1 ZINC000825787504 609399932 /nfs/dbraw/zinc/39/99/32/609399932.db2.gz GTLDKYFWTLCVHL-GFCCVEGCSA-N -1 3 353.430 3.001 20 0 FGADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)[C@@H]1CCC(C)(C)C1 ZINC000825787504 609399934 /nfs/dbraw/zinc/39/99/34/609399934.db2.gz GTLDKYFWTLCVHL-GFCCVEGCSA-N -1 3 353.430 3.001 20 0 FGADHM CC(C)[C@@H]1C[C@H](CC(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)CCO1 ZINC000824712677 609403243 /nfs/dbraw/zinc/40/32/43/609403243.db2.gz BLGXJYIUITYOGD-VBQJREDUSA-N -1 3 358.442 3.312 20 0 FGADHM CC(C)[C@@H]1C[C@H](CC(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)CCO1 ZINC000824712677 609403246 /nfs/dbraw/zinc/40/32/46/609403246.db2.gz BLGXJYIUITYOGD-VBQJREDUSA-N -1 3 358.442 3.312 20 0 FGADHM CC(C)[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)cn1)c1ccc(Cl)cc1F ZINC000824199993 609406808 /nfs/dbraw/zinc/40/68/08/609406808.db2.gz NQSMDFQOWXECGS-OAHLLOKOSA-N -1 3 374.807 3.181 20 0 FGADHM CC(C)[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)cn1)c1ccc(Cl)cc1F ZINC000824199993 609406809 /nfs/dbraw/zinc/40/68/09/609406809.db2.gz NQSMDFQOWXECGS-OAHLLOKOSA-N -1 3 374.807 3.181 20 0 FGADHM O=C1[C@H](Sc2ccc(F)cc2)CCCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000826478011 609413992 /nfs/dbraw/zinc/41/39/92/609413992.db2.gz RNHSEAOTSQNTTD-MRXNPFEDSA-N -1 3 369.425 3.294 20 0 FGADHM O=C1[C@H](Sc2ccc(F)cc2)CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826478011 609413993 /nfs/dbraw/zinc/41/39/93/609413993.db2.gz RNHSEAOTSQNTTD-MRXNPFEDSA-N -1 3 369.425 3.294 20 0 FGADHM OCc1ccc(CSCCCOc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826510530 609441043 /nfs/dbraw/zinc/44/10/43/609441043.db2.gz WKCDKPXYCQJZIV-UHFFFAOYSA-N -1 3 356.451 3.061 20 0 FGADHM FC(F)(F)c1ccccc1CNc1nc2ccccn2c1-c1nnn[n-]1 ZINC000826369077 609467367 /nfs/dbraw/zinc/46/73/67/609467367.db2.gz LRRYINAEYFHLDR-UHFFFAOYSA-N -1 3 359.315 3.145 20 0 FGADHM FC(F)(F)c1ccccc1CNc1nc2ccccn2c1-c1nn[n-]n1 ZINC000826369077 609467368 /nfs/dbraw/zinc/46/73/68/609467368.db2.gz LRRYINAEYFHLDR-UHFFFAOYSA-N -1 3 359.315 3.145 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NCc1ccc2c(c1)CC(C)(C)O2 ZINC000826186953 609481871 /nfs/dbraw/zinc/48/18/71/609481871.db2.gz RQOVQNNPDPXNOK-UHFFFAOYSA-N -1 3 351.410 3.201 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NCc1ccc2c(c1)CC(C)(C)O2 ZINC000826186953 609481874 /nfs/dbraw/zinc/48/18/74/609481874.db2.gz RQOVQNNPDPXNOK-UHFFFAOYSA-N -1 3 351.410 3.201 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NCc1cccc(OC(F)(F)F)c1 ZINC000826186955 609482004 /nfs/dbraw/zinc/48/20/04/609482004.db2.gz RSCWNHRHMAMRBO-UHFFFAOYSA-N -1 3 365.315 3.386 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NCc1cccc(OC(F)(F)F)c1 ZINC000826186955 609482007 /nfs/dbraw/zinc/48/20/07/609482007.db2.gz RSCWNHRHMAMRBO-UHFFFAOYSA-N -1 3 365.315 3.386 20 0 FGADHM CCOc1ccc(CNc2cc(-c3nnn[n-]3)ccc2OC)cc1OCC ZINC000825638402 609483107 /nfs/dbraw/zinc/48/31/07/609483107.db2.gz KTONDPOCONGBRB-UHFFFAOYSA-N -1 3 369.425 3.285 20 0 FGADHM CCOc1ccc(CNc2cc(-c3nn[n-]n3)ccc2OC)cc1OCC ZINC000825638402 609483108 /nfs/dbraw/zinc/48/31/08/609483108.db2.gz KTONDPOCONGBRB-UHFFFAOYSA-N -1 3 369.425 3.285 20 0 FGADHM COCCOc1ccc(-c2nnn[n-]2)cc1NCc1c(C)cccc1C ZINC000826162090 609486046 /nfs/dbraw/zinc/48/60/46/609486046.db2.gz MRSDDRLFQLNNFS-UHFFFAOYSA-N -1 3 353.426 3.121 20 0 FGADHM COCCOc1ccc(-c2nn[n-]n2)cc1NCc1c(C)cccc1C ZINC000826162090 609486048 /nfs/dbraw/zinc/48/60/48/609486048.db2.gz MRSDDRLFQLNNFS-UHFFFAOYSA-N -1 3 353.426 3.121 20 0 FGADHM CC(C)Oc1ccc(NCc2nc3ccccc3n2C)cc1-c1nnn[n-]1 ZINC000824329102 609492419 /nfs/dbraw/zinc/49/24/19/609492419.db2.gz IOAWLGWEZGONIM-UHFFFAOYSA-N -1 3 363.425 3.153 20 0 FGADHM CC(C)Oc1ccc(NCc2nc3ccccc3n2C)cc1-c1nn[n-]n1 ZINC000824329102 609492420 /nfs/dbraw/zinc/49/24/20/609492420.db2.gz IOAWLGWEZGONIM-UHFFFAOYSA-N -1 3 363.425 3.153 20 0 FGADHM CN(OCc1ccccc1)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000826004034 609499824 /nfs/dbraw/zinc/49/98/24/609499824.db2.gz FPZNLPNKFNWBNL-UHFFFAOYSA-N -1 3 369.429 3.019 20 0 FGADHM CN(OCc1ccccc1)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000826004034 609499825 /nfs/dbraw/zinc/49/98/25/609499825.db2.gz FPZNLPNKFNWBNL-UHFFFAOYSA-N -1 3 369.429 3.019 20 0 FGADHM Cc1cnc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CC[C@@H](C)C3)c(C)c1 ZINC000826318064 609509158 /nfs/dbraw/zinc/50/91/58/609509158.db2.gz URWRFUORUGONJL-SECBINFHSA-N -1 3 368.466 3.317 20 0 FGADHM Cc1cnc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CC[C@@H](C)C3)c(C)c1 ZINC000826318064 609509159 /nfs/dbraw/zinc/50/91/59/609509159.db2.gz URWRFUORUGONJL-SECBINFHSA-N -1 3 368.466 3.317 20 0 FGADHM Fc1ccc(NCc2ccc(OC[C@@H]3CCCO3)cc2)cc1-c1nnn[n-]1 ZINC000826375619 609511513 /nfs/dbraw/zinc/51/15/13/609511513.db2.gz VBXLYPSEYJPWCR-INIZCTEOSA-N -1 3 369.400 3.176 20 0 FGADHM Fc1ccc(NCc2ccc(OC[C@@H]3CCCO3)cc2)cc1-c1nn[n-]n1 ZINC000826375619 609511514 /nfs/dbraw/zinc/51/15/14/609511514.db2.gz VBXLYPSEYJPWCR-INIZCTEOSA-N -1 3 369.400 3.176 20 0 FGADHM COc1ccc([C@H](C)N(C)c2ncc(Cl)c(C)c2-c2nnn[n-]2)cc1 ZINC000826187771 609528284 /nfs/dbraw/zinc/52/82/84/609528284.db2.gz DTYVGXJLPQVFES-NSHDSACASA-N -1 3 358.833 3.430 20 0 FGADHM COc1ccc([C@H](C)N(C)c2ncc(Cl)c(C)c2-c2nn[n-]n2)cc1 ZINC000826187771 609528287 /nfs/dbraw/zinc/52/82/87/609528287.db2.gz DTYVGXJLPQVFES-NSHDSACASA-N -1 3 358.833 3.430 20 0 FGADHM Cc1ccnc(NCc2cc(Br)ccc2F)c1-c1nnn[n-]1 ZINC000826314146 609533264 /nfs/dbraw/zinc/53/32/64/609533264.db2.gz IVFBLMPUZYWSRP-UHFFFAOYSA-N -1 3 363.194 3.084 20 0 FGADHM Cc1ccnc(NCc2cc(Br)ccc2F)c1-c1nn[n-]n1 ZINC000826314146 609533265 /nfs/dbraw/zinc/53/32/65/609533265.db2.gz IVFBLMPUZYWSRP-UHFFFAOYSA-N -1 3 363.194 3.084 20 0 FGADHM Cc1c(Cl)cnc(N[C@@H](C)c2nc3ccccc3[nH]2)c1-c1nnn[n-]1 ZINC000826239082 609539462 /nfs/dbraw/zinc/53/94/62/609539462.db2.gz XOHOFVYIUQEDGM-VIFPVBQESA-N -1 3 354.805 3.273 20 0 FGADHM Cc1c(Cl)cnc(N[C@@H](C)c2nc3ccccc3[nH]2)c1-c1nn[n-]n1 ZINC000826239082 609539464 /nfs/dbraw/zinc/53/94/64/609539464.db2.gz XOHOFVYIUQEDGM-VIFPVBQESA-N -1 3 354.805 3.273 20 0 FGADHM Cc1ccnc(NC[C@@H]2CCCO[C@H]2c2ccccc2)c1-c1nnn[n-]1 ZINC000826313700 609540575 /nfs/dbraw/zinc/54/05/75/609540575.db2.gz QHXYMWJTMONDGX-RDJZCZTQSA-N -1 3 350.426 3.150 20 0 FGADHM Cc1ccnc(NC[C@@H]2CCCO[C@H]2c2ccccc2)c1-c1nn[n-]n1 ZINC000826313700 609540576 /nfs/dbraw/zinc/54/05/76/609540576.db2.gz QHXYMWJTMONDGX-RDJZCZTQSA-N -1 3 350.426 3.150 20 0 FGADHM CCc1c(C)sc(NC(=O)c2ccc3nsnc3c2)c1-c1nnn[n-]1 ZINC000825687598 609555663 /nfs/dbraw/zinc/55/56/63/609555663.db2.gz JVXZEHXIAUVDRR-UHFFFAOYSA-N -1 3 371.451 3.056 20 0 FGADHM CCc1c(C)sc(NC(=O)c2ccc3nsnc3c2)c1-c1nn[n-]n1 ZINC000825687598 609555666 /nfs/dbraw/zinc/55/56/66/609555666.db2.gz JVXZEHXIAUVDRR-UHFFFAOYSA-N -1 3 371.451 3.056 20 0 FGADHM COc1ccccc1O[C@@H](C)CNc1ncc(Cl)c(C)c1-c1nnn[n-]1 ZINC000826220095 609561464 /nfs/dbraw/zinc/56/14/64/609561464.db2.gz BZNUBFJFPLGWHM-JTQLQIEISA-N -1 3 374.832 3.112 20 0 FGADHM COc1ccccc1O[C@@H](C)CNc1ncc(Cl)c(C)c1-c1nn[n-]n1 ZINC000826220095 609561465 /nfs/dbraw/zinc/56/14/65/609561465.db2.gz BZNUBFJFPLGWHM-JTQLQIEISA-N -1 3 374.832 3.112 20 0 FGADHM Cc1ccnc(N[C@H]2CCCc3c2cnn3C(C)(C)C)c1-c1nnn[n-]1 ZINC000826312495 609573079 /nfs/dbraw/zinc/57/30/79/609573079.db2.gz FXXPGKZJAXCDKP-ZDUSSCGKSA-N -1 3 352.446 3.011 20 0 FGADHM Cc1ccnc(N[C@H]2CCCc3c2cnn3C(C)(C)C)c1-c1nn[n-]n1 ZINC000826312495 609573080 /nfs/dbraw/zinc/57/30/80/609573080.db2.gz FXXPGKZJAXCDKP-ZDUSSCGKSA-N -1 3 352.446 3.011 20 0 FGADHM COCCC1(CNc2ncc(Cl)c(C)c2-c2nnn[n-]2)CCCC1 ZINC000826155652 609576179 /nfs/dbraw/zinc/57/61/79/609576179.db2.gz XLBNNFOTMBKNCE-UHFFFAOYSA-N -1 3 350.854 3.232 20 0 FGADHM COCCC1(CNc2ncc(Cl)c(C)c2-c2nn[n-]n2)CCCC1 ZINC000826155652 609576181 /nfs/dbraw/zinc/57/61/81/609576181.db2.gz XLBNNFOTMBKNCE-UHFFFAOYSA-N -1 3 350.854 3.232 20 0 FGADHM CCC[C@H]1C[C@H](C(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)CCO1 ZINC000825255179 609578575 /nfs/dbraw/zinc/57/85/75/609578575.db2.gz WBQOLRYOKJSULF-HIFRSBDPSA-N -1 3 373.457 3.188 20 0 FGADHM CCC[C@H]1C[C@H](C(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)CCO1 ZINC000825255179 609578577 /nfs/dbraw/zinc/57/85/77/609578577.db2.gz WBQOLRYOKJSULF-HIFRSBDPSA-N -1 3 373.457 3.188 20 0 FGADHM CC[C@H](C)Oc1cc(CNc2ncc(Cl)c(C)c2-c2nnn[n-]2)ccn1 ZINC000825075829 609585187 /nfs/dbraw/zinc/58/51/87/609585187.db2.gz RANSGWJRZDERLZ-JTQLQIEISA-N -1 3 373.848 3.408 20 0 FGADHM CC[C@H](C)Oc1cc(CNc2ncc(Cl)c(C)c2-c2nn[n-]n2)ccn1 ZINC000825075829 609585189 /nfs/dbraw/zinc/58/51/89/609585189.db2.gz RANSGWJRZDERLZ-JTQLQIEISA-N -1 3 373.848 3.408 20 0 FGADHM CC[C@@H](C)Oc1cc(CNc2ncc(Cl)c(C)c2-c2nnn[n-]2)ccn1 ZINC000825075830 609585428 /nfs/dbraw/zinc/58/54/28/609585428.db2.gz RANSGWJRZDERLZ-SNVBAGLBSA-N -1 3 373.848 3.408 20 0 FGADHM CC[C@@H](C)Oc1cc(CNc2ncc(Cl)c(C)c2-c2nn[n-]n2)ccn1 ZINC000825075830 609585431 /nfs/dbraw/zinc/58/54/31/609585431.db2.gz RANSGWJRZDERLZ-SNVBAGLBSA-N -1 3 373.848 3.408 20 0 FGADHM Cc1cc(NCc2ccc(-c3nnn[n-]3)o2)cnc1N1CCCC[C@H]1C ZINC000826271060 609596604 /nfs/dbraw/zinc/59/66/04/609596604.db2.gz ANUKPZPUOWKVEX-CYBMUJFWSA-N -1 3 353.430 3.154 20 0 FGADHM Cc1cc(NCc2ccc(-c3nn[n-]n3)o2)cnc1N1CCCC[C@H]1C ZINC000826271060 609596606 /nfs/dbraw/zinc/59/66/06/609596606.db2.gz ANUKPZPUOWKVEX-CYBMUJFWSA-N -1 3 353.430 3.154 20 0 FGADHM CC(C)c1nc(C(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)cs1 ZINC000824358440 609614348 /nfs/dbraw/zinc/61/43/48/609614348.db2.gz KCWNXGOSBWOBQK-UHFFFAOYSA-N -1 3 363.830 3.457 20 0 FGADHM CC(C)c1nc(C(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)cs1 ZINC000824358440 609614349 /nfs/dbraw/zinc/61/43/49/609614349.db2.gz KCWNXGOSBWOBQK-UHFFFAOYSA-N -1 3 363.830 3.457 20 0 FGADHM COc1ccc(C(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)c(F)c1 ZINC000826187847 609618462 /nfs/dbraw/zinc/61/84/62/609618462.db2.gz GRCPQTPAXIUWED-UHFFFAOYSA-N -1 3 362.748 3.025 20 0 FGADHM COc1ccc(C(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)c(F)c1 ZINC000826187847 609618464 /nfs/dbraw/zinc/61/84/64/609618464.db2.gz GRCPQTPAXIUWED-UHFFFAOYSA-N -1 3 362.748 3.025 20 0 FGADHM O=C(OCc1ccc(Cl)cc1-c1nnn[n-]1)c1cnc(C2CC2)s1 ZINC000826465163 609619220 /nfs/dbraw/zinc/61/92/20/609619220.db2.gz AYRMUDCSJFATSG-UHFFFAOYSA-N -1 3 361.814 3.211 20 0 FGADHM O=C(OCc1ccc(Cl)cc1-c1nn[n-]n1)c1cnc(C2CC2)s1 ZINC000826465163 609619222 /nfs/dbraw/zinc/61/92/22/609619222.db2.gz AYRMUDCSJFATSG-UHFFFAOYSA-N -1 3 361.814 3.211 20 0 FGADHM CC/C(C)=C(\C)C(=O)OCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000825049543 609638919 /nfs/dbraw/zinc/63/89/19/609638919.db2.gz CJASPBKRXROECN-MDZDMXLPSA-N -1 3 352.341 3.258 20 0 FGADHM CC/C(C)=C(\C)C(=O)OCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000825049543 609638920 /nfs/dbraw/zinc/63/89/20/609638920.db2.gz CJASPBKRXROECN-MDZDMXLPSA-N -1 3 352.341 3.258 20 0 FGADHM O=C(/C=C/c1ccccc1F)N[N-]C(=O)c1ccccc1Br ZINC000008204428 695581526 /nfs/dbraw/zinc/58/15/26/695581526.db2.gz QWLIUZKFZNPLLD-MDZDMXLPSA-N -1 3 363.186 3.063 20 0 FGADHM O=C(O[C@@H](C(=O)NC1CC1)c1ccccc1)c1cc(Cl)c(Cl)[n-]1 ZINC000011810308 695602836 /nfs/dbraw/zinc/60/28/36/695602836.db2.gz RHABXXDPGXRYBL-CYBMUJFWSA-N -1 3 353.205 3.498 20 0 FGADHM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3F)ccc21 ZINC000015243534 695616860 /nfs/dbraw/zinc/61/68/60/695616860.db2.gz 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C[C@H]1CCC[C@@H]1CC(=O)N[N-]C(=O)c1ccc(F)cc1Br ZINC000184669348 712674522 /nfs/dbraw/zinc/67/45/22/712674522.db2.gz CLKXSLAZWHBINL-VHSXEESVSA-N -1 3 357.223 3.176 20 0 FGADHM C[C@H]1CCC[C@H]1CC(=O)N[N-]C(=O)c1ccc(F)cc1Br ZINC000184669388 712674536 /nfs/dbraw/zinc/67/45/36/712674536.db2.gz CLKXSLAZWHBINL-UWVGGRQHSA-N -1 3 357.223 3.176 20 0 FGADHM COc1ccc(Br)c(C(=O)[N-]NC(=O)C[C@@H]2CCC[C@H]2C)c1 ZINC000184704628 712675261 /nfs/dbraw/zinc/67/52/61/712675261.db2.gz VPYBJOFEKNGCDH-MNOVXSKESA-N -1 3 369.259 3.045 20 0 FGADHM O=S(=O)([N-]CC1(c2ccccn2)CC1)c1ccc(F)cc1C(F)(F)F ZINC000184905380 712678383 /nfs/dbraw/zinc/67/83/83/712678383.db2.gz ITHLIVAZKOXZIW-UHFFFAOYSA-N -1 3 374.359 3.250 20 0 FGADHM O=C(CCC1CCOCC1)[N-]OCc1ccc(F)cc1Br ZINC000186642986 712724047 /nfs/dbraw/zinc/72/40/47/712724047.db2.gz CVLMCQMAMLWQOJ-UHFFFAOYSA-N -1 3 360.223 3.343 20 0 FGADHM C[C@H]1CCCCN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)C1 ZINC000186879557 712727843 /nfs/dbraw/zinc/72/78/43/712727843.db2.gz MBVCNUMEMPPMGL-ZDUSSCGKSA-N -1 3 370.490 3.165 20 0 FGADHM CCOc1cnc(C(=O)[N-]c2nnc(-c3ccccc3Cl)s2)cn1 ZINC000187069840 712732525 /nfs/dbraw/zinc/73/25/25/712732525.db2.gz QNNLDOYVPMEUJS-UHFFFAOYSA-N -1 3 361.814 3.300 20 0 FGADHM CC(C)(C)OC(=O)NC[C@@H]([N-]S(=O)(=O)c1ccco1)C1CCCCC1 ZINC000188683714 712774957 /nfs/dbraw/zinc/77/49/57/712774957.db2.gz UFXJGBAXJAIEQE-CQSZACIVSA-N -1 3 372.487 3.032 20 0 FGADHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cnn(C(C)C)c2)cc1Cl ZINC000191470914 712837284 /nfs/dbraw/zinc/83/72/84/712837284.db2.gz OEPCKAUAVMUYFH-ZDUSSCGKSA-N -1 3 360.801 3.087 20 0 FGADHM COC(=O)CCCCCC[N-]S(=O)(=O)c1cc(C)c(Cl)s1 ZINC000191867792 712845699 /nfs/dbraw/zinc/84/56/99/712845699.db2.gz PORNEKSFZTXSCX-UHFFFAOYSA-N -1 3 353.893 3.112 20 0 FGADHM COc1ccc([C@@H](C)NC(=O)c2cccc(O)c2[O-])cc1Br ZINC000192899397 712877232 /nfs/dbraw/zinc/87/72/32/712877232.db2.gz KQUMOXYPEIBGPA-SECBINFHSA-N -1 3 366.211 3.360 20 0 FGADHM COCCN(Cc1ccc(F)cc1Cl)C(=O)c1cccc(O)c1[O-] ZINC000193041625 712881212 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COC(=O)c1cccc2[n-]c(NC(=O)/C=C\SCc3ccco3)nc21 ZINC000255329106 713691650 /nfs/dbraw/zinc/69/16/50/713691650.db2.gz XCPHLJBCSYEHTA-CLFYSBASSA-N -1 3 357.391 3.328 20 0 FGADHM CC(=O)Nc1ccc(C)cc1[N-]S(=O)(=O)[C@H]1C[C@@H]1c1cccc(F)c1 ZINC000641682585 717920170 /nfs/dbraw/zinc/92/01/70/717920170.db2.gz GTUVPKJOSJAYDB-QAPCUYQASA-N -1 3 362.426 3.390 20 0 FGADHM O=C(c1cc([O-])c2ccccc2c1)N1CCCN(c2nccs2)CC1 ZINC000279491929 713758802 /nfs/dbraw/zinc/75/88/02/713758802.db2.gz JGJIETBTRAGUIW-UHFFFAOYSA-N -1 3 353.447 3.354 20 0 FGADHM O=S(=O)([N-]Cc1ccc(OC(F)(F)F)cc1)c1cccnc1Cl ZINC000321272223 713811794 /nfs/dbraw/zinc/81/17/94/713811794.db2.gz HHASZQXTLNHHTI-UHFFFAOYSA-N -1 3 366.748 3.112 20 0 FGADHM O=S(=O)([N-]CC1CCC(O)CC1)c1ccc(Cl)cc1C(F)(F)F ZINC000323847018 713815112 /nfs/dbraw/zinc/81/51/12/713815112.db2.gz OUGJKMWYHBOSDO-UHFFFAOYSA-N -1 3 371.808 3.188 20 0 FGADHM COc1cc2nc(C)sc2cc1NC(=O)c1cc2c(cc1[O-])OCO2 ZINC000436532229 714026471 /nfs/dbraw/zinc/02/64/71/714026471.db2.gz 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CCC[C@@H]1CCCCN1C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000754686041 722944294 /nfs/dbraw/zinc/94/42/94/722944294.db2.gz NFPVHQFHBMHKMI-OAHLLOKOSA-N -1 3 370.490 3.307 20 0 FGADHM Cc1ncc(S(=O)(=O)[N-][C@@H](C)c2cccc(OC(F)(F)F)c2)s1 ZINC000754816533 722946229 /nfs/dbraw/zinc/94/62/29/722946229.db2.gz SMTBGPIJNPPBQJ-QMMMGPOBSA-N -1 3 366.386 3.390 20 0 FGADHM C[N-]S(=O)(=O)c1cc(C(=O)OCc2cc3ccccc3s2)c(C)o1 ZINC000754832984 722946647 /nfs/dbraw/zinc/94/66/47/722946647.db2.gz QDCJQJUECOYCSN-UHFFFAOYSA-N -1 3 365.432 3.068 20 0 FGADHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@H](C)CCCC(F)(F)F)c1 ZINC000755177223 722950962 /nfs/dbraw/zinc/95/09/62/722950962.db2.gz AIPBTJAFQSGEMU-VIFPVBQESA-N -1 3 371.352 3.012 20 0 FGADHM COc1ccc(OC(F)F)c(C[N-]C(=O)C(F)(F)c2nccs2)c1 ZINC000756512316 722965966 /nfs/dbraw/zinc/96/59/66/722965966.db2.gz WTEAQVUZDFQNGY-UHFFFAOYSA-N -1 3 364.320 3.161 20 0 FGADHM COC(=O)C[C@@H]([N-]C(=O)C(F)(F)c1nccs1)c1cccc(Cl)c1 ZINC000756522307 722966129 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354.419 3.053 20 0 FGADHM O=C(NC12CCC(C(F)(F)F)(CC1)CC2)c1cnc(C2CC2)[n-]c1=O ZINC000907804008 744238230 /nfs/dbraw/zinc/23/82/30/744238230.db2.gz PLRZJLIBLZVUBQ-UHFFFAOYSA-N -1 3 355.360 3.445 20 0 FGADHM C[C@@H](Cc1cccnc1)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000907985161 744252591 /nfs/dbraw/zinc/25/25/91/744252591.db2.gz WOMJFSOSGHEEHR-JTQLQIEISA-N -1 3 362.348 3.149 20 0 FGADHM CC[C@H](C)C[C@H](NC(=O)NC[C@H](c1cccs1)N1CCCC1)C(=O)[O-] ZINC000908752390 744315081 /nfs/dbraw/zinc/31/50/81/744315081.db2.gz QFVDBKKMYYOHPC-SOUVJXGZSA-N -1 3 367.515 3.074 20 0 FGADHM CSCCO[N-]C(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 ZINC000935755559 761936073 /nfs/dbraw/zinc/93/60/73/761936073.db2.gz JVCZQIURZBXMNL-CYBMUJFWSA-N -1 3 366.483 3.326 20 0 FGADHM CCCc1cc(C(=O)N(CCC(=O)[O-])C[C@H]2CCCN2CC)sc1C ZINC000911280726 757148648 /nfs/dbraw/zinc/14/86/48/757148648.db2.gz TXLYUVRLAGAXCH-MRXNPFEDSA-N -1 3 366.527 3.410 20 0 FGADHM O=C(Nc1nn(CC(F)(F)F)cc1Cl)c1[n-]cnc1C(F)(F)F ZINC000911430692 757162381 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O=C(c1cnc(C2CC2)[n-]c1=O)N1CC[C@@H]1c1ccc(Br)cc1 ZINC000912708743 757366125 /nfs/dbraw/zinc/36/61/25/757366125.db2.gz YKEUMNPXUVFTFE-CQSZACIVSA-N -1 3 374.238 3.409 20 0 FGADHM CCC(O)(CC)CN(C)C(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000913339827 757497447 /nfs/dbraw/zinc/49/74/47/757497447.db2.gz QFRZKQGTOIDCQV-UHFFFAOYSA-N -1 3 357.476 3.113 20 0 FGADHM CO[C@H]1CC[C@@H](C)N(C(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)C1 ZINC000913667691 757562668 /nfs/dbraw/zinc/56/26/68/757562668.db2.gz KRCIVTMXYURPNE-MNOVXSKESA-N -1 3 355.460 3.130 20 0 FGADHM C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000914602568 757810252 /nfs/dbraw/zinc/81/02/52/757810252.db2.gz ATQPWZZLFUKPOG-DOMZBBRYSA-N -1 3 370.490 3.211 20 0 FGADHM CCCCC[C@@H](C)NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000914708329 757827784 /nfs/dbraw/zinc/82/77/84/757827784.db2.gz VFKFCUDUKBQYSS-CYBMUJFWSA-N -1 3 358.479 3.211 20 0 FGADHM Cc1nc(-c2ccc(NC(=O)NC[C@H]3CC3(Cl)Cl)cc2)cc(=O)[n-]1 ZINC000915911035 758002252 /nfs/dbraw/zinc/00/22/52/758002252.db2.gz SHQXSJITLFMLTH-LLVKDONJSA-N -1 3 367.236 3.473 20 0 FGADHM C[C@H]([N-]S(=O)(=O)CC12CCC(CC1)CC2)c1noc(C(F)(F)F)n1 ZINC000916398620 758078473 /nfs/dbraw/zinc/07/84/73/758078473.db2.gz CPJGAGDCEHJRSF-JBLZRFIASA-N -1 3 367.393 3.039 20 0 FGADHM O=S(=O)([N-][C@@H](C[C@@H]1CCCO1)C(F)(F)F)c1cccc2ccncc21 ZINC000916829140 758141497 /nfs/dbraw/zinc/14/14/97/758141497.db2.gz GGKDKPLNZAKSEV-WFASDCNBSA-N -1 3 374.384 3.013 20 0 FGADHM O=C([O-])C[C@H]1CCCN(C[C@@H](O)c2cccc(Br)c2)CC1 ZINC000923239642 759088685 /nfs/dbraw/zinc/08/86/85/759088685.db2.gz FSVPWRSMAAQOKZ-SWLSCSKDSA-N -1 3 356.260 3.059 20 0 FGADHM CC[C@@H]1c2ccsc2CCN1C(=O)CN1CCC[C@](CC)(C(=O)[O-])C1 ZINC000923467450 759122672 /nfs/dbraw/zinc/12/26/72/759122672.db2.gz AAEAVQQLZRXMRX-BEFAXECRSA-N -1 3 364.511 3.161 20 0 FGADHM C[C@@H](NCc1nnc2n1CCC[C@H]2C(F)(F)F)c1cc([O-])cc(F)c1 ZINC000925170159 759456668 /nfs/dbraw/zinc/45/66/68/759456668.db2.gz LDOMFOIXEMOOAQ-NOZJJQNGSA-N -1 3 358.339 3.413 20 0 FGADHM Cc1ccc(C(=O)N2CCC[C@@H]2c2ncc(Br)cn2)c([O-])c1 ZINC000928357796 760162424 /nfs/dbraw/zinc/16/24/24/760162424.db2.gz LIULZKOYDOZVDN-CYBMUJFWSA-N -1 3 362.227 3.230 20 0 FGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C[C@H]2CC=CCC2)cc1OC ZINC000930304851 760574407 /nfs/dbraw/zinc/57/44/07/760574407.db2.gz JIBPEUBEZWUTAR-ZDUSSCGKSA-N -1 3 352.456 3.142 20 0 FGADHM Cc1cc(C(F)(F)C(=O)[N-][C@@H](C)C(=O)N2CCCC[C@@H]2C)cnc1Cl ZINC000932725419 761229304 /nfs/dbraw/zinc/22/93/04/761229304.db2.gz OJCKHUGJFDZLSV-RYUDHWBXSA-N -1 3 373.831 3.041 20 0 FGADHM Cc1cc(C(F)(F)C(=O)[N-][C@H](C)C(=O)N2CCCC[C@@H]2C)cnc1Cl ZINC000932725418 761229491 /nfs/dbraw/zinc/22/94/91/761229491.db2.gz OJCKHUGJFDZLSV-NWDGAFQWSA-N -1 3 373.831 3.041 20 0 FGADHM CCS[C@H]1CCC[C@H]1NC(=O)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC000934087390 761538079 /nfs/dbraw/zinc/53/80/79/761538079.db2.gz FDHKOWPSEPPMLO-HIFRSBDPSA-N -1 3 352.406 3.210 20 0 FGADHM C[C@@H]1CCN(C(=O)c2ccccc2[O-])[C@H](CNC(=O)c2cccs2)C1 ZINC000983637136 763644181 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COc1ccc(-c2ccncc2)cc1CN=c1[n-]ncn1Cc1ccccc1 ZINC000579545431 505572434 /nfs/dbraw/zinc/57/24/34/505572434.db2.gz COEPITHLSQCUNE-UHFFFAOYSA-N -1 3 371.444 3.431 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)[C@@]1(Cc2cccc(Cl)c2)CCOC1 ZINC000576711583 505576598 /nfs/dbraw/zinc/57/65/98/505576598.db2.gz RSDMLLVAGVZHMS-LJQANCHMSA-N -1 3 363.816 3.450 20 0 FGADHM CC(=O)c1cccc(NC(=O)[C@@H](NC(=O)c2cccs2)C(C)C)c1[O-] ZINC000567931312 505577702 /nfs/dbraw/zinc/57/77/02/505577702.db2.gz BOUXCYDSCPNNEC-HNNXBMFYSA-N -1 3 360.435 3.049 20 0 FGADHM Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)[C@@H]1CCCCN1C1CCCC1 ZINC000573645840 505586233 /nfs/dbraw/zinc/58/62/33/505586233.db2.gz WFDFMHOTQYTWRU-KRWDZBQOSA-N -1 3 369.469 3.221 20 0 FGADHM C[C@H](c1ccc(OC(F)(F)F)cc1)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC000570847875 505594788 /nfs/dbraw/zinc/59/47/88/505594788.db2.gz CFBXCMZYMXCBRZ-PWSUYJOCSA-N -1 3 356.348 3.350 20 0 FGADHM CCC[C@H](C)S(=O)(=O)[N-][C@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC000568028920 505599100 /nfs/dbraw/zinc/59/91/00/505599100.db2.gz LTWDKWVAAKJEKV-QFBILLFUSA-N -1 3 374.506 3.344 20 0 FGADHM O=c1[n-]c(C2CCN(CCCc3ccccc3Br)CC2)n[nH]1 ZINC000570882544 505601843 /nfs/dbraw/zinc/60/18/43/505601843.db2.gz VEGORPLGAKBSKD-UHFFFAOYSA-N -1 3 365.275 3.085 20 0 FGADHM COCC1(CNC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)CCC1 ZINC000576839257 505607203 /nfs/dbraw/zinc/60/72/03/505607203.db2.gz WWXZIMGSOYOTDO-UHFFFAOYSA-N -1 3 356.426 3.096 20 0 FGADHM FC(F)(F)COCCCN=c1ncc2scc(Br)c2[n-]1 ZINC000576839022 505607344 /nfs/dbraw/zinc/60/73/44/505607344.db2.gz YCBSSLQQMWWDQU-UHFFFAOYSA-N -1 3 370.194 3.257 20 0 FGADHM O=C([O-])CN(Cc1cc2c(cc1Br)OCO2)C1CCCC1 ZINC000579735752 505610149 /nfs/dbraw/zinc/61/01/49/505610149.db2.gz OBZIJDZIWGTISM-UHFFFAOYSA-N -1 3 356.216 3.007 20 0 FGADHM Cn1cc(C(=O)Nc2cc(Br)ccc2[O-])c(-c2ccoc2)n1 ZINC000568175495 505634789 /nfs/dbraw/zinc/63/47/89/505634789.db2.gz VSPZJIWJLRMWAK-UHFFFAOYSA-N -1 3 362.183 3.401 20 0 FGADHM Cc1cc(C)n(-c2ccc(-c3nc(-c4ccc5n[n-]nc5c4)no3)cc2)n1 ZINC000573868602 505639522 /nfs/dbraw/zinc/63/95/22/505639522.db2.gz COGCWIMFKSGRRF-UHFFFAOYSA-N -1 3 357.377 3.477 20 0 FGADHM O=C(Nc1cc(Br)ccc1[O-])c1c[nH]nc1-c1ccccn1 ZINC000579899505 505640301 /nfs/dbraw/zinc/64/03/01/505640301.db2.gz YFTJRDMZLZVNIB-UHFFFAOYSA-N -1 3 359.183 3.192 20 0 FGADHM C[C@@H]1CN(c2cccc(Cl)c2)CCN1C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000568213990 505645132 /nfs/dbraw/zinc/64/51/32/505645132.db2.gz MOSOWMFCSMJUCP-GFCCVEGCSA-N -1 3 372.856 3.064 20 0 FGADHM Cn1[n-]c(=NC(=O)N[C@@H]2CCC[C@@H](c3ccccc3)C2)cc1OC(F)F ZINC000579906726 505642207 /nfs/dbraw/zinc/64/22/07/505642207.db2.gz QOSQNVYXIHDUGU-ZIAGYGMSSA-N -1 3 364.396 3.291 20 0 FGADHM C[C@H](NC(=O)CN1C[C@H](C(=O)[O-])CC[C@H]1C)c1ccc(Cl)cc1Cl ZINC000579951670 505651595 /nfs/dbraw/zinc/65/15/95/505651595.db2.gz YKYUCDRWCNRDDD-GRYCIOLGSA-N -1 3 373.280 3.356 20 0 FGADHM CO[C@@H](CN1CC[C@@](C(=O)[O-])(C(F)(F)F)C1)c1ccc(Cl)cc1 ZINC000573927250 505653441 /nfs/dbraw/zinc/65/34/41/505653441.db2.gz JPMKGOSAKOQNPR-GXTWGEPZSA-N -1 3 351.752 3.367 20 0 FGADHM COc1cc(F)c(Br)cc1S(=O)(=O)[N-]C1(C)CCCC1 ZINC000579979506 505656412 /nfs/dbraw/zinc/65/64/12/505656412.db2.gz YWHWEANYFUUPFV-UHFFFAOYSA-N -1 3 366.252 3.208 20 0 FGADHM COC(=O)C1(CS(=O)(=O)[N-]c2cc(F)c(F)cc2Cl)CCCC1 ZINC000577113216 505666790 /nfs/dbraw/zinc/66/67/90/505666790.db2.gz MNDQOEWMBFVTAD-UHFFFAOYSA-N -1 3 367.801 3.093 20 0 FGADHM Cc1nc2ccc(S(=O)(=O)[N-][C@@H]3COc4ccc(C)cc43)cc2s1 ZINC000568345422 505671007 /nfs/dbraw/zinc/67/10/07/505671007.db2.gz NLUAXTZMXFLECH-OAHLLOKOSA-N -1 3 360.460 3.325 20 0 FGADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)c1cccc(Br)c1 ZINC000028048217 493775180 /nfs/dbraw/zinc/77/51/80/493775180.db2.gz RENWHTKQECXJFU-QMMMGPOBSA-N -1 3 359.245 3.093 20 0 FGADHM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(-n3cnnn3)c(C)c2)cc1 ZINC000028261142 493782788 /nfs/dbraw/zinc/78/27/88/493782788.db2.gz IJDGQAOHMBDCFG-ZDUSSCGKSA-N -1 3 371.466 3.285 20 0 FGADHM CCOc1ccc(Br)cc1S(=O)(=O)[N-]CCC(C)C ZINC000028498049 493792298 /nfs/dbraw/zinc/79/22/98/493792298.db2.gz VOOLBHDFNJCKEW-UHFFFAOYSA-N -1 3 350.278 3.172 20 0 FGADHM COCCN(CCCc1ccccc1)Cc1nc(=O)c2sccc2[n-]1 ZINC000068334386 493799109 /nfs/dbraw/zinc/79/91/09/493799109.db2.gz ZLKSZVWQPDDXTB-UHFFFAOYSA-N -1 3 357.479 3.478 20 0 FGADHM O=C(Nc1ccccc1)c1ccc(NC(=O)c2ccc3n[n-]nc3c2)cc1 ZINC000058286024 493842473 /nfs/dbraw/zinc/84/24/73/493842473.db2.gz LHUFXERYGJERJR-UHFFFAOYSA-N -1 3 357.373 3.463 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(NCc3ccc(OC)c(F)c3)nc2)n1 ZINC000068663506 493852086 /nfs/dbraw/zinc/85/20/86/493852086.db2.gz JGAXGGLCGUUCTK-UHFFFAOYSA-N -1 3 354.385 3.154 20 0 FGADHM COc1ccc2ncc(C(=O)[O-])c(N3CCC[C@@H](c4nc(C)no4)C3)c2c1 ZINC000568396468 505684674 /nfs/dbraw/zinc/68/46/74/505684674.db2.gz JIZSHTLOLDADAV-GFCCVEGCSA-N -1 3 368.393 3.017 20 0 FGADHM O=S(=O)([N-]CCc1ccc(F)c(Br)c1)c1cccs1 ZINC000049334786 493870655 /nfs/dbraw/zinc/87/06/55/493870655.db2.gz VIYGEIUXKDYUKM-UHFFFAOYSA-N -1 3 364.261 3.171 20 0 FGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@H]2CCCC[C@@H]2C)cc1OC ZINC000050040477 493894258 /nfs/dbraw/zinc/89/42/58/493894258.db2.gz BOYYJOZTLFAOLY-JSGCOSHPSA-N -1 3 369.487 3.157 20 0 FGADHM CC(=O)N1CCC(CCC(=O)Nc2cc(C(F)(F)F)ccc2[O-])CC1 ZINC000081458723 493896629 /nfs/dbraw/zinc/89/66/29/493896629.db2.gz KLAXKDQAZJELJF-UHFFFAOYSA-N -1 3 358.360 3.388 20 0 FGADHM COc1ccc(Cl)cc1CN(C)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000068933055 493897197 /nfs/dbraw/zinc/89/71/97/493897197.db2.gz QWMPOLZWCKLFBX-UHFFFAOYSA-N -1 3 356.809 3.462 20 0 FGADHM O=C(Cc1c(Cl)cccc1Cl)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000068962714 493900717 /nfs/dbraw/zinc/90/07/17/493900717.db2.gz UXUFRMRQWARUSD-UHFFFAOYSA-N -1 3 362.220 3.032 20 0 FGADHM O=C(Cc1c(Cl)cccc1Cl)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000068962714 493900722 /nfs/dbraw/zinc/90/07/22/493900722.db2.gz UXUFRMRQWARUSD-UHFFFAOYSA-N -1 3 362.220 3.032 20 0 FGADHM CN(C)[C@H](CNC(=O)c1ccc(Br)cc1[O-])c1ccccc1 ZINC000060168661 493917263 /nfs/dbraw/zinc/91/72/63/493917263.db2.gz QZRZQFPKOULZDZ-OAHLLOKOSA-N -1 3 363.255 3.187 20 0 FGADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2Cl)c(C)c1 ZINC000050530603 493919997 /nfs/dbraw/zinc/91/99/97/493919997.db2.gz ZKJMYDYOAKHMKR-UHFFFAOYSA-N -1 3 357.790 3.375 20 0 FGADHM Cc1nn(C)cc1[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000069126114 493926055 /nfs/dbraw/zinc/92/60/55/493926055.db2.gz BTLULUPZIDUBCD-SSDOTTSWSA-N -1 3 354.284 3.136 20 0 FGADHM Cc1cccc(OCC[N-]S(=O)(=O)c2ccccc2C(F)(F)F)c1 ZINC000060568234 493946587 /nfs/dbraw/zinc/94/65/87/493946587.db2.gz NDOGUWHFDAJAKL-UHFFFAOYSA-N -1 3 359.369 3.371 20 0 FGADHM CCc1cccc(C(=O)NC2CCN(C(=O)c3ccc(C)cc3)CC2)c1[O-] ZINC000081777952 493952409 /nfs/dbraw/zinc/95/24/09/493952409.db2.gz VFVWDUPVBNFVMV-UHFFFAOYSA-N -1 3 366.461 3.298 20 0 FGADHM CCc1cccc(C(=O)N2CCC(NC(=O)c3ccc(C)s3)CC2)c1[O-] ZINC000081777223 493952849 /nfs/dbraw/zinc/95/28/49/493952849.db2.gz XZPAANUUMGPPEG-UHFFFAOYSA-N -1 3 372.490 3.359 20 0 FGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H]1C[C@H]1c1cccc(Cl)c1 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357.435 3.299 20 0 FGADHM O=C(Cc1ccc([O-])cc1Cl)NCc1ccc(CN2CCCC2=O)cc1 ZINC000121655611 494831946 /nfs/dbraw/zinc/83/19/46/494831946.db2.gz JCGIDRQYHUERRU-UHFFFAOYSA-N -1 3 372.852 3.027 20 0 FGADHM Cc1c(C[S@@](C)=O)cccc1[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000116711801 494842110 /nfs/dbraw/zinc/84/21/10/494842110.db2.gz ZCCBHGMXEQCTNO-QHCPKHFHSA-N -1 3 363.504 3.163 20 0 FGADHM COc1ccc([C@H](NC(=O)c2cc(NC(C)=O)ccc2[O-])C(C)C)cc1 ZINC000121723320 494845415 /nfs/dbraw/zinc/84/54/15/494845415.db2.gz VHSVEBCUDGWHQV-LJQANCHMSA-N -1 3 356.422 3.486 20 0 FGADHM CCOc1ccc([C@H](C)NC(=O)CCNC(=O)c2ccc(C)cc2[O-])cc1 ZINC000116773354 494850926 /nfs/dbraw/zinc/85/09/26/494850926.db2.gz JDNQCJXIOBYXTI-HNNXBMFYSA-N -1 3 370.449 3.097 20 0 FGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)[C@H]1C[C@H]1c1c(F)cccc1F ZINC000093313534 494866258 /nfs/dbraw/zinc/86/62/58/494866258.db2.gz YDLBQHDOWFLRLC-ZJUUUORDSA-N -1 3 364.348 3.434 20 0 FGADHM O=C(NCc1cc2ccccc2o1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000127032925 494882437 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CC(=O)Nc1ccc(S[C@@H](C)C(=O)Nc2nnc(-c3ccco3)[n-]2)cc1 ZINC000132855882 494934519 /nfs/dbraw/zinc/93/45/19/494934519.db2.gz GXHUVPTYHOEGSJ-JTQLQIEISA-N -1 3 371.422 3.142 20 0 FGADHM CC(=O)Nc1ccc(S[C@@H](C)C(=O)Nc2nc(-c3ccco3)n[n-]2)cc1 ZINC000132855882 494934520 /nfs/dbraw/zinc/93/45/20/494934520.db2.gz GXHUVPTYHOEGSJ-JTQLQIEISA-N -1 3 371.422 3.142 20 0 FGADHM CC(=O)Nc1ccc(S[C@@H](C)C(=O)Nc2n[n-]c(-c3ccco3)n2)cc1 ZINC000132855882 494934524 /nfs/dbraw/zinc/93/45/24/494934524.db2.gz GXHUVPTYHOEGSJ-JTQLQIEISA-N -1 3 371.422 3.142 20 0 FGADHM COc1ccc([O-])c(C(=O)Nc2ccccc2N2C[C@H](C)O[C@@H](C)C2)c1 ZINC000122175865 494935516 /nfs/dbraw/zinc/93/55/16/494935516.db2.gz YZJFIRRBUIXCPZ-KBPBESRZSA-N -1 3 356.422 3.267 20 0 FGADHM COc1ccc(S(=O)(=O)[N-][C@@H](C)C2CCOCC2)c(Cl)c1Cl ZINC000132885971 494938021 /nfs/dbraw/zinc/93/80/21/494938021.db2.gz OXLRTSODHQQTGP-VIFPVBQESA-N -1 3 368.282 3.095 20 0 FGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)C1(c2ccc(F)cc2)CCCC1 ZINC000110001899 494938863 /nfs/dbraw/zinc/93/88/63/494938863.db2.gz BOWHVPCYBBWKAS-UHFFFAOYSA-N -1 3 365.412 3.134 20 0 FGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)C1(c2ccc(F)cc2)CCCC1 ZINC000110001899 494938868 /nfs/dbraw/zinc/93/88/68/494938868.db2.gz BOWHVPCYBBWKAS-UHFFFAOYSA-N -1 3 365.412 3.134 20 0 FGADHM C[C@H](CN(C)c1ncnc2sc(-c3ccccc3)cc21)c1nnn[n-]1 ZINC000132893899 494939030 /nfs/dbraw/zinc/93/90/30/494939030.db2.gz OFDQJVSKKXJMPO-LLVKDONJSA-N -1 3 351.439 3.111 20 0 FGADHM C[C@H](CN(C)c1ncnc2sc(-c3ccccc3)cc21)c1nn[n-]n1 ZINC000132893899 494939034 /nfs/dbraw/zinc/93/90/34/494939034.db2.gz OFDQJVSKKXJMPO-LLVKDONJSA-N -1 3 351.439 3.111 20 0 FGADHM Cc1cc(-c2noc(CCC(=O)NCc3ccc([O-])c(F)c3)n2)ccc1F ZINC000132904177 494941258 /nfs/dbraw/zinc/94/12/58/494941258.db2.gz NCZCIXHCLZZCGY-UHFFFAOYSA-N -1 3 373.359 3.278 20 0 FGADHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cncn3-c3ccccc3)c2)n1 ZINC000117721922 494948912 /nfs/dbraw/zinc/94/89/12/494948912.db2.gz CILPVYZTOZDQJZ-UHFFFAOYSA-N -1 3 371.400 3.183 20 0 FGADHM Cc1nc(C)c(CCC(=O)NC[C@H]2CCC(C)(C)c3ccccc32)c(=O)[n-]1 ZINC000094101968 494950046 /nfs/dbraw/zinc/95/00/46/494950046.db2.gz CRPRRHHHFIQHCM-MRXNPFEDSA-N -1 3 367.493 3.291 20 0 FGADHM C[C@@H](C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)c1cccs1 ZINC000133041269 494960143 /nfs/dbraw/zinc/96/01/43/494960143.db2.gz KXOUSEDCMQLAPR-SNVBAGLBSA-N -1 3 368.455 3.070 20 0 FGADHM CCc1nc([N-]C(=O)c2c(F)ccc(F)c2OC)sc1C(=O)OC ZINC000127603675 494969273 /nfs/dbraw/zinc/96/92/73/494969273.db2.gz QTAOVYLHVQJPMH-UHFFFAOYSA-N -1 3 356.350 3.031 20 0 FGADHM COc1ccc([O-])c(C(=O)N(Cc2ccccc2)CC2CCOCC2)c1 ZINC000110391760 494975684 /nfs/dbraw/zinc/97/56/84/494975684.db2.gz AWMAFVJLGFHYON-UHFFFAOYSA-N -1 3 355.434 3.470 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-][C@@H]1CC(C)(C)Oc2ccccc21 ZINC000127668436 494978693 /nfs/dbraw/zinc/97/86/93/494978693.db2.gz QMOBPTYEYATIOI-GFCCVEGCSA-N -1 3 353.465 3.337 20 0 FGADHM Cc1oc2ncnc([N-]C(=O)c3nc(N4CCCC4)ncc3Cl)c2c1C ZINC000118201402 494981451 /nfs/dbraw/zinc/98/14/51/494981451.db2.gz JUPUPYCOCPYWOK-UHFFFAOYSA-N -1 3 372.816 3.136 20 0 FGADHM CCCN(CC(=O)Nc1ccccc1OC)C(=O)c1cc(C)ccc1[O-] ZINC000127721696 494986913 /nfs/dbraw/zinc/98/69/13/494986913.db2.gz NBSOBCWHPRPVIV-UHFFFAOYSA-N -1 3 356.422 3.200 20 0 FGADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@H]1CCN(c2ccccc2F)C1 ZINC000574354598 505753914 /nfs/dbraw/zinc/75/39/14/505753914.db2.gz YVHLDAMDCDZQQV-HNNXBMFYSA-N -1 3 360.404 3.388 20 0 FGADHM COc1ccccc1-c1nc(NC(=O)[C@H]2CSc3ccccc32)n[n-]1 ZINC000118318781 494993694 /nfs/dbraw/zinc/99/36/94/494993694.db2.gz DOKHTNTXKJUROI-ZDUSSCGKSA-N -1 3 352.419 3.308 20 0 FGADHM COc1ccc(-c2ncc(C(=O)[N-]c3nc4ccccn4n3)s2)cc1 ZINC000133297656 494996896 /nfs/dbraw/zinc/99/68/96/494996896.db2.gz MZVNVXAZBPQFCZ-UHFFFAOYSA-N -1 3 351.391 3.114 20 0 FGADHM COc1cc(F)c([N-]S(=O)(=O)C[C@@H](C)c2ccccc2)cc1OC ZINC000133514752 495022937 /nfs/dbraw/zinc/02/29/37/495022937.db2.gz IMUBLHUPFBMCEH-GFCCVEGCSA-N -1 3 353.415 3.388 20 0 FGADHM CCSCC[C@@H](C)NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000133582762 495031825 /nfs/dbraw/zinc/03/18/25/495031825.db2.gz WEMKHGOSVIBIRI-SNVBAGLBSA-N -1 3 361.305 3.486 20 0 FGADHM COC(=O)c1cc(C)nc2nc(SC[C@@H](C)c3ccccc3)[n-]c(=O)c12 ZINC000128087867 495043232 /nfs/dbraw/zinc/04/32/32/495043232.db2.gz PDRPHZNDYIOJTR-LLVKDONJSA-N -1 3 369.446 3.309 20 0 FGADHM O=C([O-])CCN(Cc1ncc(-c2ccc(Cl)cc2)o1)C1CCOCC1 ZINC000580430333 505757738 /nfs/dbraw/zinc/75/77/38/505757738.db2.gz ARQKCMRZFZMUGA-UHFFFAOYSA-N -1 3 364.829 3.451 20 0 FGADHM COc1ccc(C(=O)N(Cc2cccc(F)c2)C[C@H]2CCCO2)c([O-])c1 ZINC000122881866 495046319 /nfs/dbraw/zinc/04/63/19/495046319.db2.gz ABOOZCMJQJMKLI-QGZVFWFLSA-N -1 3 359.397 3.361 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1)c1noc(-c2ccccc2)n1 ZINC000128322844 495079606 /nfs/dbraw/zinc/07/96/06/495079606.db2.gz CXRIKNRZCGCQSM-LLVKDONJSA-N -1 3 363.826 3.430 20 0 FGADHM CCO[C@@H]1C[C@H](N(C)C(=O)c2cc(NC(C)=O)ccc2[O-])C1(CC)CC ZINC000123137573 495086246 /nfs/dbraw/zinc/08/62/46/495086246.db2.gz DIHBZAGBZLCVLS-ZWKOTPCHSA-N -1 3 362.470 3.406 20 0 FGADHM COc1ccc([C@H]2[C@@H](C(=O)Nc3cccc([O-])c3F)CCC(=O)N2C)cc1 ZINC000128376938 495087518 /nfs/dbraw/zinc/08/75/18/495087518.db2.gz XWULGPVNCZBFHI-LIRRHRJNSA-N -1 3 372.396 3.088 20 0 FGADHM CO[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000128390721 495089916 /nfs/dbraw/zinc/08/99/16/495089916.db2.gz ZQNBLURRWRSMGS-GHMZBOCLSA-N -1 3 357.781 3.205 20 0 FGADHM COc1ccc([O-])c(C(=O)N2CCC(CN3CCc4ccccc43)CC2)c1 ZINC000111651078 495091731 /nfs/dbraw/zinc/09/17/31/495091731.db2.gz DKOLHESDVBWOEA-UHFFFAOYSA-N -1 3 366.461 3.316 20 0 FGADHM COc1ccc(-c2cc(C(=O)Nc3cccc([O-])c3F)n[nH]2)cc1OC ZINC000128438455 495096971 /nfs/dbraw/zinc/09/69/71/495096971.db2.gz UODQWZAWCDSXTH-UHFFFAOYSA-N -1 3 357.341 3.191 20 0 FGADHM Cc1c(Br)ccc([O-])c1NC(=O)Cn1cnc2c1CCCC2 ZINC000568721224 505761179 /nfs/dbraw/zinc/76/11/79/505761179.db2.gz JBUHNYHHNUDESU-UHFFFAOYSA-N -1 3 364.243 3.177 20 0 FGADHM c1ccc(-c2n[n-]nc2-c2nc(-c3ccncc3N3CCCC3)no2)cc1 ZINC000574388651 505761811 /nfs/dbraw/zinc/76/18/11/505761811.db2.gz HSQOZTRWBILECF-UHFFFAOYSA-N -1 3 359.393 3.184 20 0 FGADHM CC[C@H]1CCN(C(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)C1 ZINC000134156330 495114630 /nfs/dbraw/zinc/11/46/30/495114630.db2.gz BPSCRXPNRVNJQF-LBPRGKRZSA-N -1 3 371.478 3.166 20 0 FGADHM CO[C@H](CS(=O)(=O)[N-]c1ccccc1COc1ccccc1)C1CC1 ZINC000571561767 505762007 /nfs/dbraw/zinc/76/20/07/505762007.db2.gz WLVWASGKFPNQJJ-LJQANCHMSA-N -1 3 361.463 3.432 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2cccc(-c3n[nH]c(C4CC4)n3)c2)cc1 ZINC000102632387 495148557 /nfs/dbraw/zinc/14/85/57/495148557.db2.gz ZXYSRDCLJDAXBY-UHFFFAOYSA-N -1 3 370.434 3.159 20 0 FGADHM Cn1ccnc1-c1cc(NC(=O)COc2cc(Cl)ccc2Cl)n[n-]1 ZINC000119408978 495160988 /nfs/dbraw/zinc/16/09/88/495160988.db2.gz WWXKMAVOOYTION-UHFFFAOYSA-N -1 3 366.208 3.135 20 0 FGADHM Cn1ccnc1-c1cc(NC(=O)COc2cc(Cl)ccc2Cl)[n-]n1 ZINC000119408978 495160993 /nfs/dbraw/zinc/16/09/93/495160993.db2.gz WWXKMAVOOYTION-UHFFFAOYSA-N -1 3 366.208 3.135 20 0 FGADHM Cn1ccnc1-c1cc(NC(=O)CCc2ccc(Br)cc2)n[n-]1 ZINC000119517954 495182008 /nfs/dbraw/zinc/18/20/08/495182008.db2.gz YPCNIMKTARNMFN-UHFFFAOYSA-N -1 3 374.242 3.144 20 0 FGADHM Cn1ccnc1-c1cc(NC(=O)CCc2ccc(Br)cc2)[n-]n1 ZINC000119517954 495182011 /nfs/dbraw/zinc/18/20/11/495182011.db2.gz YPCNIMKTARNMFN-UHFFFAOYSA-N -1 3 374.242 3.144 20 0 FGADHM CC(C)n1cnnc1CNC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000112393882 495184561 /nfs/dbraw/zinc/18/45/61/495184561.db2.gz GPRLLPKIVZLZOK-UHFFFAOYSA-N -1 3 364.449 3.280 20 0 FGADHM CC(C)c1csc2[n-]c(CC(=O)N(CC(F)(F)F)C3CC3)nc(=O)c12 ZINC000112404549 495184949 /nfs/dbraw/zinc/18/49/49/495184949.db2.gz CFKNHCNUZPJDCX-UHFFFAOYSA-N -1 3 373.400 3.204 20 0 FGADHM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)C[C@@H](C)c2ccccc2)o1 ZINC000119545219 495187490 /nfs/dbraw/zinc/18/74/90/495187490.db2.gz MHFNFBOZGQOFPA-RHSMWYFYSA-N -1 3 351.468 3.253 20 0 FGADHM Cc1ccc(-n2cnnc2SCC(=O)Nc2cccc([O-])c2F)cc1 ZINC000129060830 495190206 /nfs/dbraw/zinc/19/02/06/495190206.db2.gz AVMNHYORWJBIBM-UHFFFAOYSA-N -1 3 358.398 3.151 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)[C@@H](O)Cc1ccccc1 ZINC000129120110 495199022 /nfs/dbraw/zinc/19/90/22/495199022.db2.gz ROBBLAYGLPHJNS-NHYWBVRUSA-N -1 3 374.289 3.264 20 0 FGADHM CC[C@H](C)c1ccccc1OCC(=O)Nc1cc(-c2nccn2C)[n-]n1 ZINC000119662554 495212758 /nfs/dbraw/zinc/21/27/58/495212758.db2.gz HJMCUCGNUVLHKA-ZDUSSCGKSA-N -1 3 353.426 3.341 20 0 FGADHM CC[C@H](C)c1ccccc1OCC(=O)Nc1cc(-c2nccn2C)n[n-]1 ZINC000119662554 495212759 /nfs/dbraw/zinc/21/27/59/495212759.db2.gz HJMCUCGNUVLHKA-ZDUSSCGKSA-N -1 3 353.426 3.341 20 0 FGADHM Cc1csc2[n-]c(CC(=O)Nc3cccc(C(F)(F)F)c3)nc(=O)c12 ZINC000119710281 495224280 /nfs/dbraw/zinc/22/42/80/495224280.db2.gz IDVAMNVAQPDVLE-UHFFFAOYSA-N -1 3 367.352 3.493 20 0 FGADHM CNC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cc(C)ccc2Cl)c1 ZINC000124037727 495225239 /nfs/dbraw/zinc/22/52/39/495225239.db2.gz ODNXOGOPZMPQCN-UHFFFAOYSA-N -1 3 373.261 3.462 20 0 FGADHM Cc1nc(-c2ccccc2)ccc1C(=O)Nc1cc(-c2nccn2C)[n-]n1 ZINC000119764126 495235630 /nfs/dbraw/zinc/23/56/30/495235630.db2.gz QKAJGMITZWSXKB-UHFFFAOYSA-N -1 3 358.405 3.433 20 0 FGADHM Cc1nc(-c2ccccc2)ccc1C(=O)Nc1cc(-c2nccn2C)n[n-]1 ZINC000119764126 495235634 /nfs/dbraw/zinc/23/56/34/495235634.db2.gz QKAJGMITZWSXKB-UHFFFAOYSA-N -1 3 358.405 3.433 20 0 FGADHM O=c1[n-]c(CN2CCC(Nc3ccc(F)cc3)CC2)nc2ccsc21 ZINC000103479734 495241858 /nfs/dbraw/zinc/24/18/58/495241858.db2.gz DJSZEAYREMSTHH-UHFFFAOYSA-N -1 3 358.442 3.200 20 0 FGADHM CN(Cc1nc(=O)c2cc(-c3ccccc3)sc2[n-]1)C[C@@H]1CCCO1 ZINC000103480763 495242043 /nfs/dbraw/zinc/24/20/43/495242043.db2.gz PNCMLWAHLFOMTB-AWEZNQCLSA-N -1 3 355.463 3.262 20 0 FGADHM CC[C@H](CC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)c1ccccc1 ZINC000103520162 495246075 /nfs/dbraw/zinc/24/60/75/495246075.db2.gz QRVXAOFAPNYQCZ-QGZVFWFLSA-N -1 3 366.461 3.261 20 0 FGADHM CCC(CC)(CCO)C[N-]S(=O)(=O)c1cc(C(C)=O)ccc1Cl ZINC000124242957 495256136 /nfs/dbraw/zinc/25/61/36/495256136.db2.gz ZQJYKJMFTABHTD-UHFFFAOYSA-N -1 3 361.891 3.010 20 0 FGADHM CC1(C)CN(C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)C[C@@H]1c1ccccc1 ZINC000135160532 495258309 /nfs/dbraw/zinc/25/83/09/495258309.db2.gz DRVNDISXCLXBAU-QGZVFWFLSA-N -1 3 363.417 3.228 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H]3COc4ccccc43)c2)n1 ZINC000113029959 495269861 /nfs/dbraw/zinc/26/98/61/495269861.db2.gz WVIXNLVJPZIYPR-QGZVFWFLSA-N -1 3 361.401 3.114 20 0 FGADHM CCN(CCO)Cc1nc(=O)c2c(-c3ccccc3Cl)csc2[n-]1 ZINC000119983628 495281829 /nfs/dbraw/zinc/28/18/29/495281829.db2.gz HRDRIZRCQUZIFJ-UHFFFAOYSA-N -1 3 363.870 3.119 20 0 FGADHM Cc1nc(S(=O)(=O)[N-][C@@H]2CCc3c2ccc(Cl)c3Cl)cn1C ZINC000113301706 495294709 /nfs/dbraw/zinc/29/47/09/495294709.db2.gz DEIOIWJWKOUCKT-GFCCVEGCSA-N -1 3 360.266 3.001 20 0 FGADHM Cc1nc(-c2ccco2)ccc1C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000135563505 495311155 /nfs/dbraw/zinc/31/11/55/495311155.db2.gz PFFOWFSKLMOUGI-UHFFFAOYSA-N -1 3 360.377 3.006 20 0 FGADHM Cc1nc(-c2ccco2)ccc1C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000135563505 495311158 /nfs/dbraw/zinc/31/11/58/495311158.db2.gz PFFOWFSKLMOUGI-UHFFFAOYSA-N -1 3 360.377 3.006 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H](C)C3CCOCC3)c2)n1 ZINC000120205588 495327523 /nfs/dbraw/zinc/32/75/23/495327523.db2.gz TULCCHRORGVDDR-CYBMUJFWSA-N -1 3 355.438 3.001 20 0 FGADHM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)cc(COC)c1)c1nccs1 ZINC000577683165 505775126 /nfs/dbraw/zinc/77/51/26/505775126.db2.gz AQYYCGFERULJJI-CYBMUJFWSA-N -1 3 360.888 3.373 20 0 FGADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)Cc3cnc4ccccc4c3)cc2)n1 ZINC000130102707 495341766 /nfs/dbraw/zinc/34/17/66/495341766.db2.gz CELKLQOUGNKOIL-UHFFFAOYSA-N -1 3 370.412 3.475 20 0 FGADHM O=S(=O)(Cc1cc(Cl)ccc1F)[N-]Cc1nc(C2CC2)cs1 ZINC000124901416 495362124 /nfs/dbraw/zinc/36/21/24/495362124.db2.gz HXEAQLSGQMYKOF-UHFFFAOYSA-N -1 3 360.863 3.433 20 0 FGADHM COc1cc(Br)c(CNCc2nc(C)ccc2[O-])cc1OC ZINC000105487622 495365330 /nfs/dbraw/zinc/36/53/30/495365330.db2.gz ISKITDUBHAVEBI-UHFFFAOYSA-N -1 3 367.243 3.165 20 0 FGADHM C[C@H]([N-]S(C)(=O)=O)c1nc(-c2cccc(Oc3ccccc3)c2)no1 ZINC000136498533 495383999 /nfs/dbraw/zinc/38/39/99/495383999.db2.gz HHLNOSPFWKKZHI-LBPRGKRZSA-N -1 3 359.407 3.139 20 0 FGADHM CC(C)N1CCN(C(=O)c2cc(OCc3ccccc3)ccc2[O-])CC1 ZINC000130392711 495385609 /nfs/dbraw/zinc/38/56/09/495385609.db2.gz YPGFVSWPRWRMJE-UHFFFAOYSA-N -1 3 354.450 3.137 20 0 FGADHM Cc1cc(N2CCC(N(C)C(=O)c3ccccc3[O-])CC2)nc(C(C)C)n1 ZINC000105986965 495400454 /nfs/dbraw/zinc/40/04/54/495400454.db2.gz FLRAGBQMELEKFO-UHFFFAOYSA-N -1 3 368.481 3.355 20 0 FGADHM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3cccc(-c4cnco4)c3)ccc2O1 ZINC000106007277 495402178 /nfs/dbraw/zinc/40/21/78/495402178.db2.gz GHOLBTOACCQPKO-LBPRGKRZSA-N -1 3 356.403 3.466 20 0 FGADHM Cc1ccsc1[C@@H](CO)[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000125210055 495406893 /nfs/dbraw/zinc/40/68/93/495406893.db2.gz GDVUFBGSCRPOBY-LLVKDONJSA-N -1 3 365.398 3.087 20 0 FGADHM CCCOc1nc(C(=O)Nc2nnc(-c3ccccn3)[n-]2)cc2ccccc21 ZINC000114681172 495408615 /nfs/dbraw/zinc/40/86/15/495408615.db2.gz TUMPJKQXKFOIEZ-UHFFFAOYSA-N -1 3 374.404 3.456 20 0 FGADHM CCCOc1nc(C(=O)Nc2nc(-c3ccccn3)n[n-]2)cc2ccccc21 ZINC000114681172 495408618 /nfs/dbraw/zinc/40/86/18/495408618.db2.gz TUMPJKQXKFOIEZ-UHFFFAOYSA-N -1 3 374.404 3.456 20 0 FGADHM Cc1ccc(-c2cncc(C(=O)Nc3ccc(Cc4nnn[n-]4)cc3)c2)cc1 ZINC000120611083 495417164 /nfs/dbraw/zinc/41/71/64/495417164.db2.gz HIRMJDFPJFDWQM-UHFFFAOYSA-N -1 3 370.416 3.413 20 0 FGADHM Cc1ccc(-c2cncc(C(=O)Nc3ccc(Cc4nn[n-]n4)cc3)c2)cc1 ZINC000120611083 495417166 /nfs/dbraw/zinc/41/71/66/495417166.db2.gz HIRMJDFPJFDWQM-UHFFFAOYSA-N -1 3 370.416 3.413 20 0 FGADHM CC(C)c1ccc(OCCC(=O)Nc2ccc(Cc3nnn[n-]3)cc2)cc1 ZINC000137004317 495417380 /nfs/dbraw/zinc/41/73/80/495417380.db2.gz VBDYQWMBVBAFBV-UHFFFAOYSA-N -1 3 365.437 3.322 20 0 FGADHM CC(C)c1ccc(OCCC(=O)Nc2ccc(Cc3nn[n-]n3)cc2)cc1 ZINC000137004317 495417384 /nfs/dbraw/zinc/41/73/84/495417384.db2.gz VBDYQWMBVBAFBV-UHFFFAOYSA-N -1 3 365.437 3.322 20 0 FGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2c(C)cccc2C)cc1OC ZINC000137458220 495441436 /nfs/dbraw/zinc/44/14/36/495441436.db2.gz AJOHDQBOCQZICT-UHFFFAOYSA-N -1 3 362.451 3.326 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1cnc(Cc2ccccc2)s1 ZINC000130834645 495454119 /nfs/dbraw/zinc/45/41/19/495454119.db2.gz GEJQMKKEZGTSEM-UHFFFAOYSA-N -1 3 362.418 3.166 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cnc(Cc2ccccc2)s1 ZINC000130834645 495454120 /nfs/dbraw/zinc/45/41/20/495454120.db2.gz GEJQMKKEZGTSEM-UHFFFAOYSA-N -1 3 362.418 3.166 20 0 FGADHM O=C(Cc1ccc([O-])cc1Cl)Nc1ccc(CN2CCCC2=O)cc1 ZINC000120789438 495457976 /nfs/dbraw/zinc/45/79/76/495457976.db2.gz RYYIIDLFRFWHLW-UHFFFAOYSA-N -1 3 358.825 3.349 20 0 FGADHM C[C@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000131031489 495482404 /nfs/dbraw/zinc/48/24/04/495482404.db2.gz ZETBLNDIGIWDRV-SNVBAGLBSA-N -1 3 371.817 3.233 20 0 FGADHM CC1(C)CCCC[C@H]1CC(=O)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000120908775 495483049 /nfs/dbraw/zinc/48/30/49/495483049.db2.gz FOYBVHKMWMWKTA-KRWDZBQOSA-N -1 3 358.482 3.283 20 0 FGADHM C[C@H](Cc1nc2ccccc2s1)[N-]S(=O)(=O)c1ccccc1F ZINC000121053119 495513493 /nfs/dbraw/zinc/51/34/93/495513493.db2.gz RGVVZAOKDQRPOJ-LLVKDONJSA-N -1 3 350.440 3.345 20 0 FGADHM Cc1csc([C@H]([N-]S(=O)(=O)c2ccccc2OC(F)F)C2CC2)n1 ZINC000173463519 495540858 /nfs/dbraw/zinc/54/08/58/495540858.db2.gz BUASCRXDWFJETH-CYBMUJFWSA-N -1 3 374.434 3.483 20 0 FGADHM CCO[C@H]1C[C@@H](N(C)C(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)C1(C)C ZINC000158657084 495560035 /nfs/dbraw/zinc/56/00/35/495560035.db2.gz YMDOEBAAWIYNMM-CVEARBPZSA-N -1 3 360.429 3.251 20 0 FGADHM O=C(N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1cccc([O-])c1 ZINC000182448990 495568785 /nfs/dbraw/zinc/56/87/85/495568785.db2.gz SZMCLGBNGQZDNA-MRXNPFEDSA-N -1 3 364.367 3.415 20 0 FGADHM C[C@H]1CN(Cc2ccc(CNCc3cc([O-])cc(F)c3)cc2)C[C@H](C)O1 ZINC000185458217 495584279 /nfs/dbraw/zinc/58/42/79/495584279.db2.gz KFZXYRBMLYJBRK-HOTGVXAUSA-N -1 3 358.457 3.430 20 0 FGADHM C[C@H](NCc1cc([O-])cc(F)c1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000185471304 495589405 /nfs/dbraw/zinc/58/94/05/495589405.db2.gz IFJNJJMVUSLCTO-ZDUSSCGKSA-N -1 3 358.413 3.040 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-]CCCCOc1ccc(F)cc1 ZINC000154360634 495592332 /nfs/dbraw/zinc/59/23/32/495592332.db2.gz ADGCMVOVFPHKDO-UHFFFAOYSA-N -1 3 359.444 3.033 20 0 FGADHM C[C@H](NC(=O)CN1CC[C@@H](C)[C@H](C(=O)[O-])C1)c1ccc2ccccc2c1 ZINC000574518480 505791193 /nfs/dbraw/zinc/79/11/93/505791193.db2.gz KEEUTUOSFUCCRM-ZRGWGRIASA-N -1 3 354.450 3.060 20 0 FGADHM C[C@H]1CN(Cc2nc(=O)c3cc(-c4ccccc4)sc3[n-]2)CCCO1 ZINC000170772010 495598205 /nfs/dbraw/zinc/59/82/05/495598205.db2.gz UWBXJUDLOKYXQD-ZDUSSCGKSA-N -1 3 355.463 3.262 20 0 FGADHM CC[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000170810679 495612289 /nfs/dbraw/zinc/61/22/89/495612289.db2.gz AQQYEVNGSVNNTN-IEBWSBKVSA-N -1 3 366.461 3.134 20 0 FGADHM CC[C@@H]1CCCCN1C(=O)C(=O)[N-]c1scc(C2CC2)c1C(=O)OC ZINC000176377435 495626942 /nfs/dbraw/zinc/62/69/42/495626942.db2.gz AFUJRDRRIRTCBV-GFCCVEGCSA-N -1 3 364.467 3.142 20 0 FGADHM CCCn1c(=O)[n-]nc1SC[C@@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000158981514 495629073 /nfs/dbraw/zinc/62/90/73/495629073.db2.gz JHYOEHRXDBAXFL-LBPRGKRZSA-N -1 3 361.389 3.108 20 0 FGADHM O=C(NCc1ccccn1)c1cccc(NCc2cc([O-])cc(F)c2)c1 ZINC000185587561 495634462 /nfs/dbraw/zinc/63/44/62/495634462.db2.gz ASHDORLBNULKSQ-UHFFFAOYSA-N -1 3 351.381 3.468 20 0 FGADHM C[C@H](CSc1ccccc1)C(=O)NCCCNC(=O)c1cccc([O-])c1 ZINC000154523983 495642949 /nfs/dbraw/zinc/64/29/49/495642949.db2.gz KHGSNDQXDMCXPU-OAHLLOKOSA-N -1 3 372.490 3.057 20 0 FGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(CC(F)(F)F)cc1 ZINC000176432725 495649861 /nfs/dbraw/zinc/64/98/61/495649861.db2.gz UKBTVAPHBYMNDX-UHFFFAOYSA-N -1 3 357.357 3.157 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N2C[C@@H](C)O[C@H](c3ccsc3)C2)c1 ZINC000150873273 495664090 /nfs/dbraw/zinc/66/40/90/495664090.db2.gz DLBJHLOYZMBZQM-DIFFPNOSSA-N -1 3 360.435 3.014 20 0 FGADHM CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1cc(F)ccc1[O-] ZINC000179652239 495676937 /nfs/dbraw/zinc/67/69/37/495676937.db2.gz ZZHRTVXAUKDXKD-UGSOOPFHSA-N -1 3 370.424 3.469 20 0 FGADHM COc1cccc([C@@H](Cc2cc(C)cc(C)c2)NC(=O)c2c[n-]nn2)c1 ZINC000150911030 495677936 /nfs/dbraw/zinc/67/79/36/495677936.db2.gz PTUDBCSVDZQWPA-GOSISDBHSA-N -1 3 350.422 3.144 20 0 FGADHM COc1cccc([C@@H](Cc2cc(C)cc(C)c2)NC(=O)c2cnn[n-]2)c1 ZINC000150911030 495677940 /nfs/dbraw/zinc/67/79/40/495677940.db2.gz PTUDBCSVDZQWPA-GOSISDBHSA-N -1 3 350.422 3.144 20 0 FGADHM COc1cccc([C@@H](Cc2cc(C)cc(C)c2)NC(=O)c2cn[n-]n2)c1 ZINC000150911030 495677945 /nfs/dbraw/zinc/67/79/45/495677945.db2.gz PTUDBCSVDZQWPA-GOSISDBHSA-N -1 3 350.422 3.144 20 0 FGADHM Cc1cccc(F)c1S(=O)(=O)[N-][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000185685903 495679718 /nfs/dbraw/zinc/67/97/18/495679718.db2.gz VQAKSYBNCNNFBN-JKSUJKDBSA-N -1 3 371.380 3.221 20 0 FGADHM CCCn1ccc2ccc(NC(=O)c3c(C)[n-]c(=O)nc3SC)cc21 ZINC000176523454 495681836 /nfs/dbraw/zinc/68/18/36/495681836.db2.gz PDBFOCORDIDYTB-UHFFFAOYSA-N -1 3 356.451 3.417 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)N(CCc1ccccc1)[C@H]1CCOC1 ZINC000176538350 495689683 /nfs/dbraw/zinc/68/96/83/495689683.db2.gz IESKTXJMTIOSRK-KRWDZBQOSA-N -1 3 358.413 3.075 20 0 FGADHM COc1ccccc1CC1CCN(C(=O)c2cccc3[n-]nnc32)CC1 ZINC000182758829 495691650 /nfs/dbraw/zinc/69/16/50/495691650.db2.gz UWXXRQUNQUPAIQ-UHFFFAOYSA-N -1 3 350.422 3.061 20 0 FGADHM COc1ccccc1CC1CCN(C(=O)c2cccc3nn[n-]c32)CC1 ZINC000182758829 495691659 /nfs/dbraw/zinc/69/16/59/495691659.db2.gz UWXXRQUNQUPAIQ-UHFFFAOYSA-N -1 3 350.422 3.061 20 0 FGADHM COc1ccccc1CC1CCN(C(=O)c2cccc3n[n-]nc32)CC1 ZINC000182758829 495691665 /nfs/dbraw/zinc/69/16/65/495691665.db2.gz UWXXRQUNQUPAIQ-UHFFFAOYSA-N -1 3 350.422 3.061 20 0 FGADHM Cc1nc(C)c(CCC(=O)NCC2(c3ccc(Cl)cc3)CCC2)c(=O)[n-]1 ZINC000171053429 495704361 /nfs/dbraw/zinc/70/43/61/495704361.db2.gz HUPVODWHGGYYBO-UHFFFAOYSA-N -1 3 373.884 3.211 20 0 FGADHM O=C1[C@@H]([N-]c2nnc(C(F)(F)F)s2)CCN1c1ccc(Cl)cc1 ZINC000154783693 495727555 /nfs/dbraw/zinc/72/75/55/495727555.db2.gz CHVIAWAESMRRES-VIFPVBQESA-N -1 3 362.764 3.428 20 0 FGADHM C[C@H](NC(=O)c1cccc([O-])c1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000182857722 495730308 /nfs/dbraw/zinc/73/03/08/495730308.db2.gz DNWPUYNZBHYMCQ-MGPUTAFESA-N -1 3 355.434 3.447 20 0 FGADHM C[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F)N(C)C1CC1 ZINC000151147397 495753621 /nfs/dbraw/zinc/75/36/21/495753621.db2.gz NKTHIAIXPLNGAM-SECBINFHSA-N -1 3 370.824 3.120 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)CCC(=O)c3ccc(C)s3)[n-]c21 ZINC000154868243 495754659 /nfs/dbraw/zinc/75/46/59/495754659.db2.gz KMVRUFPCMDWOQE-UHFFFAOYSA-N -1 3 371.418 3.321 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)CCC(=O)c3ccc(C)s3)nc21 ZINC000154868243 495754660 /nfs/dbraw/zinc/75/46/60/495754660.db2.gz KMVRUFPCMDWOQE-UHFFFAOYSA-N -1 3 371.418 3.321 20 0 FGADHM C[C@H](CC(=O)Nc1ccc(F)c([N-]S(C)(=O)=O)c1)c1ccccc1F ZINC000171186278 495759681 /nfs/dbraw/zinc/75/96/81/495759681.db2.gz NOOVONZASDLFEO-LLVKDONJSA-N -1 3 368.405 3.469 20 0 FGADHM Cc1ccc(N2CCC(C(=O)N3CCCc4cccc([O-])c43)CC2)nc1 ZINC000182935207 495764555 /nfs/dbraw/zinc/76/45/55/495764555.db2.gz HFFPPLVQIZPQFN-UHFFFAOYSA-N -1 3 351.450 3.291 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-][C@@H]1CCSc2c(F)cccc21 ZINC000154917457 495771744 /nfs/dbraw/zinc/77/17/44/495771744.db2.gz HANPODPRKHXJDR-LLVKDONJSA-N -1 3 359.469 3.411 20 0 FGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)Cc2c[nH]c3c2cccc3C)c1 ZINC000173983404 495775171 /nfs/dbraw/zinc/77/51/71/495775171.db2.gz RPDITSGBVGRHLP-UHFFFAOYSA-N -1 3 371.462 3.337 20 0 FGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)COc2c(C)cccc2C)c1 ZINC000173982915 495775285 /nfs/dbraw/zinc/77/52/85/495775285.db2.gz UFPKRXWSXHDPSM-UHFFFAOYSA-N -1 3 362.451 3.001 20 0 FGADHM O=C(Cc1ccc([O-])cc1Cl)N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000182972959 495780783 /nfs/dbraw/zinc/78/07/83/495780783.db2.gz WJFZHQZWOCKDLU-GUYCJALGSA-N -1 3 367.779 3.201 20 0 FGADHM COc1nnc(NC(=O)[C@H](C)Sc2ccnc3cc(Cl)ccc32)[n-]1 ZINC000182986103 495786012 /nfs/dbraw/zinc/78/60/12/495786012.db2.gz XRLKGWANDOSRNX-QMMMGPOBSA-N -1 3 363.830 3.134 20 0 FGADHM COc1nc(NC(=O)[C@H](C)Sc2ccnc3cc(Cl)ccc32)n[n-]1 ZINC000182986103 495786016 /nfs/dbraw/zinc/78/60/16/495786016.db2.gz XRLKGWANDOSRNX-QMMMGPOBSA-N -1 3 363.830 3.134 20 0 FGADHM COc1n[n-]c(NC(=O)[C@H](C)Sc2ccnc3cc(Cl)ccc32)n1 ZINC000182986103 495786020 /nfs/dbraw/zinc/78/60/20/495786020.db2.gz XRLKGWANDOSRNX-QMMMGPOBSA-N -1 3 363.830 3.134 20 0 FGADHM O=C(CCc1nnc[nH]1)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000179935760 495790591 /nfs/dbraw/zinc/79/05/91/495790591.db2.gz DTJUREGKTSIDMJ-UHFFFAOYSA-N -1 3 365.418 3.358 20 0 FGADHM CCc1cc(=O)[n-]c(CN[C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)n1 ZINC000183002073 495793432 /nfs/dbraw/zinc/79/34/32/495793432.db2.gz QLVNWKOZHUJYJA-LBPRGKRZSA-N -1 3 355.417 3.229 20 0 FGADHM COc1cccc([C@H]2[C@@H](NC(=O)c3cccc([O-])c3)CCN2C2CC2)c1 ZINC000183004190 495793550 /nfs/dbraw/zinc/79/35/50/495793550.db2.gz GVVDNAZKOQRLNB-PMACEKPBSA-N -1 3 352.434 3.109 20 0 FGADHM CCC(CC)CS(=O)(=O)[N-][C@H](C)c1nc(-c2cccc(OC)c2)no1 ZINC000174034603 495796871 /nfs/dbraw/zinc/79/68/71/495796871.db2.gz DJONMYLBBNOMPI-GFCCVEGCSA-N -1 3 367.471 3.162 20 0 FGADHM O=S(=O)([N-]C[C@H]1CCN(C2CC2)C1)c1cc2cc(Cl)ccc2s1 ZINC000176832537 495803906 /nfs/dbraw/zinc/80/39/06/495803906.db2.gz XWYUYPCMBJZZSH-LLVKDONJSA-N -1 3 370.927 3.317 20 0 FGADHM O=c1[n-]c(SCCOc2cc(Cl)cc(Cl)c2)nc2[nH]ncc21 ZINC000174106983 495822120 /nfs/dbraw/zinc/82/21/20/495822120.db2.gz RYEMSVUGUJWVIR-UHFFFAOYSA-N -1 3 357.222 3.124 20 0 FGADHM CCN(CC)C(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C)c2F)cc1 ZINC000180019085 495825118 /nfs/dbraw/zinc/82/51/18/495825118.db2.gz ABLRYGYWJGPTCI-UHFFFAOYSA-N -1 3 364.442 3.417 20 0 FGADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N[C@@H]3CC=CCC3)cs2)c1 ZINC000180039197 495833189 /nfs/dbraw/zinc/83/31/89/495833189.db2.gz RMOISCJFNAAHBF-CYBMUJFWSA-N -1 3 371.462 3.177 20 0 FGADHM Cc1cccc2c(=O)c(C(=O)N3CCC[C@@H](CC(=O)OC(C)C)C3)c[n-]c12 ZINC000186054644 495839492 /nfs/dbraw/zinc/83/94/92/495839492.db2.gz PFTSBJFKAADJNK-HNNXBMFYSA-N -1 3 370.449 3.443 20 0 FGADHM Cc1nc(-c2ccccc2)oc1C(=O)[N-]c1ccccc1SCC(N)=O ZINC000174177461 495851274 /nfs/dbraw/zinc/85/12/74/495851274.db2.gz GIGDXXVFXCIDHD-UHFFFAOYSA-N -1 3 367.430 3.480 20 0 FGADHM CN(C[C@H](O)C(F)(F)F)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000186100288 495855724 /nfs/dbraw/zinc/85/57/24/495855724.db2.gz MFRDUHHNKWEEFK-HNNXBMFYSA-N -1 3 355.312 3.180 20 0 FGADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000155156209 495856794 /nfs/dbraw/zinc/85/67/94/495856794.db2.gz QHVNIFAVCGXZRM-LEWJYISDSA-N -1 3 367.445 3.003 20 0 FGADHM Cc1ccc(OCC(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000151530318 495869181 /nfs/dbraw/zinc/86/91/81/495869181.db2.gz JDDGBZPJAUUPAH-UHFFFAOYSA-N -1 3 350.212 3.158 20 0 FGADHM Cc1cccc(OCC(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000151547228 495874252 /nfs/dbraw/zinc/87/42/52/495874252.db2.gz IOOYXNKAAGBYLQ-UHFFFAOYSA-N -1 3 350.212 3.158 20 0 FGADHM COCc1ccc(C(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000151565546 495880161 /nfs/dbraw/zinc/88/01/61/495880161.db2.gz WNCBFSHWQCJCQT-UHFFFAOYSA-N -1 3 350.212 3.231 20 0 FGADHM Cc1cc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)nn1-c1cccc(Cl)c1 ZINC000180152216 495881701 /nfs/dbraw/zinc/88/17/01/495881701.db2.gz AOSYUOOSZQFDLH-UHFFFAOYSA-N -1 3 370.722 3.223 20 0 FGADHM Cc1cc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)nn1-c1cccc(Cl)c1 ZINC000180152216 495881708 /nfs/dbraw/zinc/88/17/08/495881708.db2.gz AOSYUOOSZQFDLH-UHFFFAOYSA-N -1 3 370.722 3.223 20 0 FGADHM COc1ccc(C[C@@H](C)C(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)cc1OC ZINC000183236298 495892463 /nfs/dbraw/zinc/89/24/63/495892463.db2.gz UFLHTWQCZZHNQY-LLVKDONJSA-N -1 3 370.409 3.208 20 0 FGADHM COc1ccc(C[C@@H](C)C(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)cc1OC ZINC000183236298 495892468 /nfs/dbraw/zinc/89/24/68/495892468.db2.gz UFLHTWQCZZHNQY-LLVKDONJSA-N -1 3 370.409 3.208 20 0 FGADHM COc1ccc(C[C@@H](C)C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)cc1OC ZINC000183236298 495892471 /nfs/dbraw/zinc/89/24/71/495892471.db2.gz UFLHTWQCZZHNQY-LLVKDONJSA-N -1 3 370.409 3.208 20 0 FGADHM O=S(=O)([N-][C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)c1ccccc1F ZINC000180178562 495893050 /nfs/dbraw/zinc/89/30/50/495893050.db2.gz NBHWLRCYUJUJAM-GOEBONIOSA-N -1 3 373.808 3.427 20 0 FGADHM COc1cccc(OC)c1S(=O)(=O)[N-][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000186231703 495906357 /nfs/dbraw/zinc/90/63/57/495906357.db2.gz YIAYCPKQVGMVLN-WDEREUQCSA-N -1 3 367.389 3.103 20 0 FGADHM O=C([O-])[C@@H]1CCO[C@H]1C1CCN(CCSc2ccccc2F)CC1 ZINC000571769259 505811383 /nfs/dbraw/zinc/81/13/83/505811383.db2.gz XOJYNXWFZORMCX-PBHICJAKSA-N -1 3 353.459 3.120 20 0 FGADHM Cc1cc([N-]S(=O)(=O)c2cccs2)ccc1OCCN1CCCC1 ZINC000174326214 495910976 /nfs/dbraw/zinc/91/09/76/495910976.db2.gz ODKLLJSIGOVSLW-UHFFFAOYSA-N -1 3 366.508 3.332 20 0 FGADHM C[C@H]1CCN(C(=O)Cc2csc(N3CCCC3=O)n2)c2c([O-])cccc21 ZINC000186254281 495915967 /nfs/dbraw/zinc/91/59/67/495915967.db2.gz OYIGMHWLNVDZDE-LBPRGKRZSA-N -1 3 371.462 3.058 20 0 FGADHM C[C@@H]1CCN(C(=O)CC2CN(C(=O)OC(C)(C)C)C2)c2c([O-])cccc21 ZINC000186260707 495918735 /nfs/dbraw/zinc/91/87/35/495918735.db2.gz YPPATKQALLGYPB-CYBMUJFWSA-N -1 3 360.454 3.489 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3nc4cc(F)ccc4n3C)c[n-]c12 ZINC000155329273 495921954 /nfs/dbraw/zinc/92/19/54/495921954.db2.gz SWGNLPAGUYLHGY-UHFFFAOYSA-N -1 3 368.343 3.254 20 0 FGADHM CC(C)N(C)C[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000580677927 505812039 /nfs/dbraw/zinc/81/20/39/505812039.db2.gz KFIZDZLEDKRDNX-VIFPVBQESA-N -1 3 357.278 3.140 20 0 FGADHM O=c1nc(CN2CC[C@H]3OCCC[C@@H]3C2)[n-]c2scc(-c3ccco3)c21 ZINC000155377823 495939628 /nfs/dbraw/zinc/93/96/28/495939628.db2.gz ROOVNIVHNYJFSG-TZMCWYRMSA-N -1 3 371.462 3.246 20 0 FGADHM COc1cccc([C@@H]2[C@H](C(=O)Nc3ccccc3[O-])CC(=O)N2C2CC2)c1 ZINC000180347026 495961241 /nfs/dbraw/zinc/96/12/41/495961241.db2.gz BTPQHHYIELKTPP-OXQOHEQNSA-N -1 3 366.417 3.092 20 0 FGADHM O=C(CC(c1ccccc1)c1ccccc1)N1CCc2c(=O)[n-]cnc2C1 ZINC000577897015 505814580 /nfs/dbraw/zinc/81/45/80/505814580.db2.gz AGVYUJVIAKAKGI-UHFFFAOYSA-N -1 3 359.429 3.289 20 0 FGADHM CC(C)(C)[C@@H](CO)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000180372658 495969600 /nfs/dbraw/zinc/96/96/00/495969600.db2.gz XXLLIOJWMWFCNH-LLVKDONJSA-N -1 3 359.797 3.044 20 0 FGADHM COc1ncnc(OC)c1C(=O)[N-]c1nc(-c2ccc(F)cc2)cs1 ZINC000171657492 495976542 /nfs/dbraw/zinc/97/65/42/495976542.db2.gz RXHXBJJUMHFOMT-UHFFFAOYSA-N -1 3 360.370 3.009 20 0 FGADHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2F)cc1)C1CC1 ZINC000155529955 495984466 /nfs/dbraw/zinc/98/44/66/495984466.db2.gz AYZUOJYYVBUSJX-UHFFFAOYSA-N -1 3 352.362 3.114 20 0 FGADHM Cc1c(NC(=O)c2n[n-]c(-c3ccccc3)c2Br)cnn1C ZINC000177241504 495991227 /nfs/dbraw/zinc/99/12/27/495991227.db2.gz CCTSNFXFLHFSDS-UHFFFAOYSA-N -1 3 360.215 3.133 20 0 FGADHM Cc1c(NC(=O)c2[n-]nc(-c3ccccc3)c2Br)cnn1C ZINC000177241504 495991230 /nfs/dbraw/zinc/99/12/30/495991230.db2.gz CCTSNFXFLHFSDS-UHFFFAOYSA-N -1 3 360.215 3.133 20 0 FGADHM O=C(NC1CCCC1)N1CCC[C@@H](C(=O)N2CCCc3cccc([O-])c32)C1 ZINC000155563850 495997439 /nfs/dbraw/zinc/99/74/39/495997439.db2.gz MXWRJOANXOUKCM-MRXNPFEDSA-N -1 3 371.481 3.036 20 0 FGADHM O=S(=O)([N-][C@H](c1nccs1)c1ccccc1)c1ccc(Cl)nc1 ZINC000171713460 496002464 /nfs/dbraw/zinc/00/24/64/496002464.db2.gz GNOQJLQSAKFYNO-AWEZNQCLSA-N -1 3 365.867 3.259 20 0 FGADHM O=C(CCC(=O)[N-]OCc1ccc(F)cc1)CCC(=O)c1cccs1 ZINC000186449037 496002645 /nfs/dbraw/zinc/00/26/45/496002645.db2.gz DTBIMFITZLNFJQ-UHFFFAOYSA-N -1 3 363.410 3.447 20 0 FGADHM CCN(CC1CCN(c2ccccn2)CC1)C(=O)/N=c1\cc[n-]n1C(C)C ZINC000174575616 496017885 /nfs/dbraw/zinc/01/78/85/496017885.db2.gz BZCPDEPIJOBLMZ-FCDQGJHFSA-N -1 3 370.501 3.051 20 0 FGADHM O=C(c1ccccc1[O-])N1CCN(Cc2ncc(-c3cccs3)o2)CC1 ZINC000174612395 496032673 /nfs/dbraw/zinc/03/26/73/496032673.db2.gz RWDNBGCKHNVZFX-UHFFFAOYSA-N -1 3 369.446 3.067 20 0 FGADHM CC(C)[C@@H]([N-]S(=O)(=O)c1cc2ccccc2o1)c1nnc2ccccn21 ZINC000155685331 496036078 /nfs/dbraw/zinc/03/60/78/496036078.db2.gz AUWQWKKDORPOOR-QGZVFWFLSA-N -1 3 370.434 3.151 20 0 FGADHM Cc1cccc(S(=O)(=O)[N-]c2ccc([C@H](C)N3CCOCC3)cc2)c1 ZINC000171801689 496041252 /nfs/dbraw/zinc/04/12/52/496041252.db2.gz UUSMXPFXZAXWCO-INIZCTEOSA-N -1 3 360.479 3.189 20 0 FGADHM C[C@@H]1CCCCN1C(=O)Cc1csc(NC(=O)c2cccc([O-])c2)n1 ZINC000177390656 496042811 /nfs/dbraw/zinc/04/28/11/496042811.db2.gz FHQUNDNDLGSRKZ-GFCCVEGCSA-N -1 3 359.451 3.045 20 0 FGADHM C[C@H](C(=O)Nc1n[n-]c(-c2ccccc2F)n1)n1cnc2ccccc21 ZINC000171808664 496044800 /nfs/dbraw/zinc/04/48/00/496044800.db2.gz HIDPUTYFYQOSDA-LLVKDONJSA-N -1 3 350.357 3.160 20 0 FGADHM COc1ccc(F)cc1CC(=O)Nc1cc(Br)ccc1[O-] ZINC000186564481 496047914 /nfs/dbraw/zinc/04/79/14/496047914.db2.gz BVMHIBPNJKSMKF-UHFFFAOYSA-N -1 3 354.175 3.484 20 0 FGADHM C[C@@H](Cc1ccccc1)C(=O)Nc1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000171820227 496049953 /nfs/dbraw/zinc/04/99/53/496049953.db2.gz QVYBFSRPBDIFKA-LBPRGKRZSA-N -1 3 350.415 3.015 20 0 FGADHM Cc1c(F)cccc1S(=O)(=O)[N-]c1cc(C(=O)N(C)C)ccc1Cl ZINC000174673945 496056225 /nfs/dbraw/zinc/05/62/25/496056225.db2.gz NVMDSYMPLWLVPD-UHFFFAOYSA-N -1 3 370.833 3.290 20 0 FGADHM COc1cc(C(=O)[N-]c2cc(Cl)ccc2C(=O)N2CCCCC2)on1 ZINC000183675201 496072334 /nfs/dbraw/zinc/07/23/34/496072334.db2.gz GEAONKADKGRPLU-UHFFFAOYSA-N -1 3 363.801 3.215 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]c2cc(N3CCOC3=O)ccc2C)c(C)c1 ZINC000174772703 496100576 /nfs/dbraw/zinc/10/05/76/496100576.db2.gz VPWIDVDXEGYGIQ-UHFFFAOYSA-N -1 3 360.435 3.369 20 0 FGADHM CCCN1C(=O)CCc2cc(NC([O-])=NOCc3cccnc3)ccc21 ZINC000183768000 496110441 /nfs/dbraw/zinc/11/04/41/496110441.db2.gz GPWMIGHWLGOFNA-UHFFFAOYSA-N -1 3 354.410 3.024 20 0 FGADHM CCCN1C(=O)CCc2cc(NC(=O)[N-]OCc3cccnc3)ccc21 ZINC000183768000 496110444 /nfs/dbraw/zinc/11/04/44/496110444.db2.gz GPWMIGHWLGOFNA-UHFFFAOYSA-N -1 3 354.410 3.024 20 0 FGADHM Cc1cccc2c(=O)c(C(=O)Nc3ccn(CCc4ccncc4)n3)c[n-]c12 ZINC000155977187 496123359 /nfs/dbraw/zinc/12/33/59/496123359.db2.gz GATMPPRWTBRNCH-UHFFFAOYSA-N -1 3 373.416 3.335 20 0 FGADHM COc1ccc(Cl)c(S(=O)(=O)[N-][C@H](C)CC(=O)c2cccs2)c1 ZINC000152372539 496130204 /nfs/dbraw/zinc/13/02/04/496130204.db2.gz FFVNLPDNWDMBSE-SNVBAGLBSA-N -1 3 373.883 3.350 20 0 FGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]Cc1ccc(C(F)F)cc1 ZINC000183852519 496135878 /nfs/dbraw/zinc/13/58/78/496135878.db2.gz FTWMZFVFJYDEJA-UHFFFAOYSA-N -1 3 373.352 3.028 20 0 FGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]CC[C@H]3CCCCO3)s2)cs1 ZINC000180765054 496137307 /nfs/dbraw/zinc/13/73/07/496137307.db2.gz VXBNXPBDKGNJDX-GFCCVEGCSA-N -1 3 372.537 3.418 20 0 FGADHM CSCCCNC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000183857318 496138138 /nfs/dbraw/zinc/13/81/38/496138138.db2.gz ADVGKSIJQSIUTC-GOSISDBHSA-N -1 3 372.490 3.123 20 0 FGADHM O=C(Cc1csc(NC(=O)c2ccccc2)n1)Nc1cc(F)ccc1[O-] ZINC000174870772 496141503 /nfs/dbraw/zinc/14/15/03/496141503.db2.gz UWZLAHZSHIFOGP-UHFFFAOYSA-N -1 3 371.393 3.421 20 0 FGADHM COc1cc(Cl)c(S(=O)(=O)[N-]CC[C@H]2CCCCO2)cc1Cl ZINC000180776603 496141770 /nfs/dbraw/zinc/14/17/70/496141770.db2.gz KSYWPTPRJLUNKP-SNVBAGLBSA-N -1 3 368.282 3.240 20 0 FGADHM COc1ccc(Br)cc1CC(=O)Nc1cc(F)ccc1[O-] ZINC000174872523 496142062 /nfs/dbraw/zinc/14/20/62/496142062.db2.gz TVCJWYVDDFZKJV-UHFFFAOYSA-N -1 3 354.175 3.484 20 0 FGADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)c2cccc3ccccc32)c(C)o1 ZINC000177640629 496142626 /nfs/dbraw/zinc/14/26/26/496142626.db2.gz VSKBOPZTRFOGBU-LBPRGKRZSA-N -1 3 372.446 3.140 20 0 FGADHM O=S(=O)([N-]CC[C@@H]1CCCCO1)c1ccc(F)cc1C(F)(F)F ZINC000180779320 496143658 /nfs/dbraw/zinc/14/36/58/496143658.db2.gz JBNFAACOFOHHFG-NSHDSACASA-N -1 3 355.353 3.082 20 0 FGADHM COc1ccc([C@H]2[C@H](C(=O)Nc3cc(F)ccc3[O-])CCC(=O)N2C)cc1 ZINC000174876653 496145229 /nfs/dbraw/zinc/14/52/29/496145229.db2.gz SHNQABOBYUOVKC-BEFAXECRSA-N -1 3 372.396 3.088 20 0 FGADHM O=C(NCCOc1ccccc1)NCc1ccc([O-])c(Br)c1 ZINC000156096905 496156951 /nfs/dbraw/zinc/15/69/51/496156951.db2.gz WOUOGONRHOMBKG-UHFFFAOYSA-N -1 3 365.227 3.033 20 0 FGADHM O=C([O-])c1ccccc1OCCN1CCC(Oc2ccc(F)cc2)CC1 ZINC000183918709 496160609 /nfs/dbraw/zinc/16/06/09/496160609.db2.gz OVIUFFJUHOSLHP-UHFFFAOYSA-N -1 3 359.397 3.446 20 0 FGADHM Cc1cccc(NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)c1Cl ZINC000174928210 496168261 /nfs/dbraw/zinc/16/82/61/496168261.db2.gz DBMMGAKDKDMIRY-UHFFFAOYSA-N -1 3 373.840 3.344 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(-n2cccc2)cc1)c1nc(C(C)(C)C)no1 ZINC000183945940 496171772 /nfs/dbraw/zinc/17/17/72/496171772.db2.gz PKTNLCANVHSKOK-CYBMUJFWSA-N -1 3 374.466 3.197 20 0 FGADHM Cc1nc(S(=O)(=O)Cc2noc(C(C)(C)C)n2)[n-]c1-c1ccccc1 ZINC000186854128 496181568 /nfs/dbraw/zinc/18/15/68/496181568.db2.gz HOVQUGHCPZAPIP-UHFFFAOYSA-N -1 3 360.439 3.040 20 0 FGADHM Cc1[n-]c(S(=O)(=O)Cc2noc(C(C)(C)C)n2)nc1-c1ccccc1 ZINC000186854128 496181571 /nfs/dbraw/zinc/18/15/71/496181571.db2.gz HOVQUGHCPZAPIP-UHFFFAOYSA-N -1 3 360.439 3.040 20 0 FGADHM COc1cccc(-c2nc(CS(=O)(=O)c3cccc([O-])c3)cs2)c1 ZINC000183988168 496188431 /nfs/dbraw/zinc/18/84/31/496188431.db2.gz IXPWZSOQKIPIJF-UHFFFAOYSA-N -1 3 361.444 3.498 20 0 FGADHM Cc1ccc(Cl)cc1NC(=O)[C@H](C)S(=O)(=O)c1cccc([O-])c1 ZINC000183986203 496188703 /nfs/dbraw/zinc/18/87/03/496188703.db2.gz MFLZPWPGNSOUCN-NSHDSACASA-N -1 3 353.827 3.155 20 0 FGADHM CCc1cccc(CC)c1NC(=O)[C@@H](C)S(=O)(=O)c1cccc([O-])c1 ZINC000183995560 496192308 /nfs/dbraw/zinc/19/23/08/496192308.db2.gz PTDDDPZGRODIGQ-CYBMUJFWSA-N -1 3 361.463 3.318 20 0 FGADHM CCOc1cc(C(=O)N(C)CCCn2ccnc2C)cc(Cl)c1[O-] ZINC000186893954 496198056 /nfs/dbraw/zinc/19/80/56/496198056.db2.gz YGSCXKQJXHDVHH-UHFFFAOYSA-N -1 3 351.834 3.112 20 0 FGADHM CCOC(=O)c1cc(NC(=O)CCc2ccc(OC(F)(F)F)cc2)n[n-]1 ZINC000180930833 496204674 /nfs/dbraw/zinc/20/46/74/496204674.db2.gz NTIFTDIMXSGNDU-UHFFFAOYSA-N -1 3 371.315 3.056 20 0 FGADHM CCOC(=O)c1cc(NC(=O)CCc2ccc(OC(F)(F)F)cc2)[n-]n1 ZINC000180930833 496204679 /nfs/dbraw/zinc/20/46/79/496204679.db2.gz NTIFTDIMXSGNDU-UHFFFAOYSA-N -1 3 371.315 3.056 20 0 FGADHM CCOC(=O)c1cc(NC(=O)c2ccc(-c3ccccc3)nc2C)n[n-]1 ZINC000180935052 496206556 /nfs/dbraw/zinc/20/65/56/496206556.db2.gz HMDBOERMMUIPHC-UHFFFAOYSA-N -1 3 350.378 3.209 20 0 FGADHM CCOC(=O)c1cc(NC(=O)c2ccc(-c3ccccc3)nc2C)[n-]n1 ZINC000180935052 496206558 /nfs/dbraw/zinc/20/65/58/496206558.db2.gz HMDBOERMMUIPHC-UHFFFAOYSA-N -1 3 350.378 3.209 20 0 FGADHM CC[C@@H]1C[C@H](NC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)CCO1 ZINC000574679303 505829740 /nfs/dbraw/zinc/82/97/40/505829740.db2.gz KVRLMGJEGZSACG-HZPDHXFCSA-N -1 3 356.426 3.237 20 0 FGADHM CS(=O)(=O)c1ccc(F)c([N-]C(=O)c2cc3cccc(F)c3o2)c1 ZINC000152690886 496227465 /nfs/dbraw/zinc/22/74/65/496227465.db2.gz SLHKOXRZRWVVJC-UHFFFAOYSA-N -1 3 351.330 3.367 20 0 FGADHM Cc1cccc(C(=O)Nc2ccc(C(=O)N3CCSCC3)cc2C)c1[O-] ZINC000156411302 496237556 /nfs/dbraw/zinc/23/75/56/496237556.db2.gz KENWKTCITFWYBS-UHFFFAOYSA-N -1 3 370.474 3.450 20 0 FGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)Cc1c[nH]c2cccc(C)c12 ZINC000181006685 496237769 /nfs/dbraw/zinc/23/77/69/496237769.db2.gz DDNIZLXSBLIIFE-UHFFFAOYSA-N -1 3 355.394 3.385 20 0 FGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)COc1ccc(F)c(Cl)c1 ZINC000181011329 496239833 /nfs/dbraw/zinc/23/98/33/496239833.db2.gz DHEKRCFNVXURTR-UHFFFAOYSA-N -1 3 370.764 3.224 20 0 FGADHM O=c1nc(CN(CCO)c2ccccc2)[n-]c2scc(-c3ccco3)c21 ZINC000177894860 496242783 /nfs/dbraw/zinc/24/27/83/496242783.db2.gz SCPWOHVFRVFLNV-UHFFFAOYSA-N -1 3 367.430 3.244 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)C3=CCOCC3)cc2)cc1 ZINC000187005156 496248753 /nfs/dbraw/zinc/24/87/53/496248753.db2.gz HGCMUXSFERPIHZ-UHFFFAOYSA-N -1 3 372.446 3.081 20 0 FGADHM Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000177945005 496260668 /nfs/dbraw/zinc/26/06/68/496260668.db2.gz ABZWAUMGTOYIGI-ZDUSSCGKSA-N -1 3 366.508 3.485 20 0 FGADHM CCN(CC)[C@H](CNC(=O)c1ccc([O-])cc1F)c1cccc(OC)c1 ZINC000181085528 496265176 /nfs/dbraw/zinc/26/51/76/496265176.db2.gz OCXNRYCSHCCHJM-LJQANCHMSA-N -1 3 360.429 3.353 20 0 FGADHM Cc1ccccc1COc1cccc([N-]S(=O)(=O)C[C@@H]2CCCO2)c1 ZINC000172369746 496272396 /nfs/dbraw/zinc/27/23/96/496272396.db2.gz AWAIPRHOLQMTJL-IBGZPJMESA-N -1 3 361.463 3.495 20 0 FGADHM O=C(CC/C=C/c1ccccc1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000172406058 496285589 /nfs/dbraw/zinc/28/55/89/496285589.db2.gz QSFIOEZBZPPGAU-ONNFQVAWSA-N -1 3 364.445 3.170 20 0 FGADHM CCN(C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C1CC1 ZINC000184209881 496287339 /nfs/dbraw/zinc/28/73/39/496287339.db2.gz WBQRGAOPIFNUTO-LJQANCHMSA-N -1 3 352.434 3.264 20 0 FGADHM O=c1[n-]c(-c2cccc(OCCO)n2)nc2ccc(-c3ccccc3)cc12 ZINC000181155704 496289845 /nfs/dbraw/zinc/28/98/45/496289845.db2.gz FKSSNGYKPAXQIP-UHFFFAOYSA-N -1 3 359.385 3.023 20 0 FGADHM Cc1nn2c(nnc2S[C@@H](C)c2cccc(Br)c2)[n-]c1=O ZINC000162121250 496299000 /nfs/dbraw/zinc/29/90/00/496299000.db2.gz KZLLBGSRMGTNRB-QMMMGPOBSA-N -1 3 366.244 3.149 20 0 FGADHM COc1ccccc1-c1nc(NC(=O)Cc2c(Cl)cccc2OC)n[n-]1 ZINC000153018258 496327294 /nfs/dbraw/zinc/32/72/94/496327294.db2.gz 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O=C(Cc1ccc(Br)cc1[O-])N1CCC[C@H]1[C@H]1CCCOC1 ZINC000578015043 505841890 /nfs/dbraw/zinc/84/18/90/505841890.db2.gz DWERAYYTJSMVNC-ZFWWWQNUSA-N -1 3 368.271 3.115 20 0 FGADHM O=C(Nc1nnc(-c2ccccn2)[n-]1)c1ccccc1C(=O)c1ccccc1 ZINC000175473569 496406367 /nfs/dbraw/zinc/40/63/67/496406367.db2.gz MJUQFOTUOYTCIE-UHFFFAOYSA-N -1 3 369.384 3.350 20 0 FGADHM O=C(Nc1nc(-c2ccccn2)n[n-]1)c1ccccc1C(=O)c1ccccc1 ZINC000175473569 496406370 /nfs/dbraw/zinc/40/63/70/496406370.db2.gz MJUQFOTUOYTCIE-UHFFFAOYSA-N -1 3 369.384 3.350 20 0 FGADHM O=C(Nc1n[n-]c(-c2ccccn2)n1)c1ccccc1C(=O)c1ccccc1 ZINC000175473569 496406373 /nfs/dbraw/zinc/40/63/73/496406373.db2.gz MJUQFOTUOYTCIE-UHFFFAOYSA-N -1 3 369.384 3.350 20 0 FGADHM Cc1cc(OC[C@@H](O)CN2CCC(C(=O)[O-])CC2)c(C(C)C)cc1Cl ZINC000578019349 505842764 /nfs/dbraw/zinc/84/27/64/505842764.db2.gz TWEXXEXKMLWVPY-HNNXBMFYSA-N -1 3 369.889 3.308 20 0 FGADHM Cc1oc2ccc(NC(=O)C(=O)NCc3ccc([O-])c(F)c3)cc2c1C ZINC000184558830 496438656 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C[C@@H](NC(=O)c1cccc2nn[n-]c21)c1cccc(OCc2ccccn2)c1 ZINC000163555115 496531920 /nfs/dbraw/zinc/53/19/20/496531920.db2.gz QSMOPUCCRAIODX-CQSZACIVSA-N -1 3 373.416 3.423 20 0 FGADHM C[C@@H](NC(=O)c1cccc2[n-]nnc21)c1cccc(OCc2ccccn2)c1 ZINC000163555115 496531924 /nfs/dbraw/zinc/53/19/24/496531924.db2.gz QSMOPUCCRAIODX-CQSZACIVSA-N -1 3 373.416 3.423 20 0 FGADHM C[C@@H](NC(=O)c1cccc2n[n-]nc21)c1cccc(OCc2ccccn2)c1 ZINC000163555115 496531927 /nfs/dbraw/zinc/53/19/27/496531927.db2.gz QSMOPUCCRAIODX-CQSZACIVSA-N -1 3 373.416 3.423 20 0 FGADHM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2cccc(F)c2F)c1 ZINC000157709460 496535758 /nfs/dbraw/zinc/53/57/58/496535758.db2.gz ICQURWDFPBIUFD-UHFFFAOYSA-N -1 3 361.753 3.206 20 0 FGADHM COc1cc([N-]C(=O)c2c(C)onc2-c2c(F)cccc2Cl)ncn1 ZINC000157718165 496537229 /nfs/dbraw/zinc/53/72/29/496537229.db2.gz ADHQNJVWSJVNPU-UHFFFAOYSA-N -1 3 362.748 3.493 20 0 FGADHM Cc1ccc(N2CCC(NC(=O)Cc3ccc([O-])cc3Cl)CC2)nc1 ZINC000153727775 496560201 /nfs/dbraw/zinc/56/02/01/496560201.db2.gz MHYOIRLWYLVKDS-UHFFFAOYSA-N -1 3 359.857 3.077 20 0 FGADHM Cc1ccc(-c2nnc(NC(=O)C(C)(C)c3ccc4c(c3)OCCO4)[n-]2)o1 ZINC000181876442 496581638 /nfs/dbraw/zinc/58/16/38/496581638.db2.gz PIQLAZOFXPGBST-UHFFFAOYSA-N -1 3 368.393 3.061 20 0 FGADHM Cc1ccc(-c2n[n-]c(NC(=O)C(C)(C)c3ccc4c(c3)OCCO4)n2)o1 ZINC000181876442 496581642 /nfs/dbraw/zinc/58/16/42/496581642.db2.gz PIQLAZOFXPGBST-UHFFFAOYSA-N -1 3 368.393 3.061 20 0 FGADHM Cc1ccc(-c2nc(NC(=O)C(C)(C)c3ccc4c(c3)OCCO4)n[n-]2)o1 ZINC000181876442 496581648 /nfs/dbraw/zinc/58/16/48/496581648.db2.gz PIQLAZOFXPGBST-UHFFFAOYSA-N -1 3 368.393 3.061 20 0 FGADHM O=C(NCCCNC(=O)c1cccc([O-])c1)Nc1cccc(Cl)c1F ZINC000153793524 496582159 /nfs/dbraw/zinc/58/21/59/496582159.db2.gz AHJRSANZPFZXGS-UHFFFAOYSA-N -1 3 365.792 3.126 20 0 FGADHM C[C@@H](NC(=O)N=c1cc2ccccn2[n-]1)c1ccc(Br)s1 ZINC000574792094 505856981 /nfs/dbraw/zinc/85/69/81/505856981.db2.gz RZBZYSRLNXNSSE-SECBINFHSA-N -1 3 365.256 3.463 20 0 FGADHM C[C@@H](NC(=O)c1cc(OCc2ccccc2)ccc1[O-])c1cnn(C)c1 ZINC000164158759 496589864 /nfs/dbraw/zinc/58/98/64/496589864.db2.gz WXIKJVSGPULULV-CQSZACIVSA-N -1 3 351.406 3.196 20 0 FGADHM COc1cccc(C(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)c1[O-] ZINC000173206917 496592975 /nfs/dbraw/zinc/59/29/75/496592975.db2.gz JGXFMWJJJTVFRV-MRXNPFEDSA-N -1 3 354.450 3.137 20 0 FGADHM CC(C)(C)OC(=O)CC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000173213417 496596668 /nfs/dbraw/zinc/59/66/68/496596668.db2.gz DQQTWQXNSUHNLL-UHFFFAOYSA-N -1 3 354.255 3.004 20 0 FGADHM C[C@H](NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])c1cccc(F)c1F ZINC000153838487 496597234 /nfs/dbraw/zinc/59/72/34/496597234.db2.gz ZHZFYGDUHRKBIR-BLLLJJGKSA-N -1 3 374.387 3.152 20 0 FGADHM Cc1nc(C[N-]S(=O)(=O)c2ccccc2Br)sc1C ZINC000173225791 496601136 /nfs/dbraw/zinc/60/11/36/496601136.db2.gz SRTQUGZLMVLSFI-UHFFFAOYSA-N -1 3 361.286 3.001 20 0 FGADHM Cc1nc(C[N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)sc1C ZINC000173225452 496601734 /nfs/dbraw/zinc/60/17/34/496601734.db2.gz DNGILLAMVJOYBG-UHFFFAOYSA-N -1 3 368.377 3.396 20 0 FGADHM Cc1cc(Cl)c(NC(=O)C(=O)NCc2ccc([O-])c(F)c2)cc1Cl ZINC000164287645 496601744 /nfs/dbraw/zinc/60/17/44/496601744.db2.gz MNAKUHSPKBPIIJ-UHFFFAOYSA-N -1 3 371.195 3.401 20 0 FGADHM CCc1ccc(C(=O)N2CCc3c(cccc3N3CCOC3=O)C2)c([O-])c1 ZINC000187871836 496603326 /nfs/dbraw/zinc/60/33/26/496603326.db2.gz KGDKIMLUTFQHHK-UHFFFAOYSA-N -1 3 366.417 3.110 20 0 FGADHM CC(C)(C)c1ccc([C@H]2CCCN2C(=O)CN2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000164676782 496627303 /nfs/dbraw/zinc/62/73/03/496627303.db2.gz SKQDCPYWZLOSRV-PKOBYXMFSA-N -1 3 372.509 3.444 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C3(OC)CCCCC3)c2)n1 ZINC000185029195 496629253 /nfs/dbraw/zinc/62/92/53/496629253.db2.gz FSFNKQCWOIMCOU-UHFFFAOYSA-N -1 3 355.438 3.287 20 0 FGADHM COc1cc(C(=O)[N-]c2cc(C(N)=O)ccc2F)sc1Br ZINC000178960826 496631123 /nfs/dbraw/zinc/63/11/23/496631123.db2.gz UPZNPIBMPLQFRT-UHFFFAOYSA-N -1 3 373.203 3.010 20 0 FGADHM C[C@H](CCNC(=O)c1cc(CCc2ccccc2)ccc1[O-])[S@](C)=O 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C[C@@H](NC(=O)C(=O)[N-]c1cnns1)c1ccc(Cl)c2ccccc21 ZINC000192073004 496986010 /nfs/dbraw/zinc/98/60/10/496986010.db2.gz PFOYKXXRGQKWSQ-SECBINFHSA-N -1 3 360.826 3.161 20 0 FGADHM COCCOc1ccc(NC(=O)c2cc([O-])ccc2C(F)(F)F)cn1 ZINC000189065926 496996979 /nfs/dbraw/zinc/99/69/79/496996979.db2.gz HXSBAMHHRGEVDB-UHFFFAOYSA-N -1 3 356.300 3.084 20 0 FGADHM COc1cc(C(=O)N2C[C@@H](c3ccccc3C)OC[C@H]2C)cc(OC)c1[O-] ZINC000269902184 497020281 /nfs/dbraw/zinc/02/02/81/497020281.db2.gz DTOYAHHJDPQFCT-KUHUBIRLSA-N -1 3 371.433 3.320 20 0 FGADHM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1CC(=O)Nc1cc(Cl)ccc1F ZINC000248510343 497028342 /nfs/dbraw/zinc/02/83/42/497028342.db2.gz ADNBEFTYPWXUNQ-KMUNFCNLSA-N -1 3 354.809 3.135 20 0 FGADHM COc1cc(NC(=O)[C@H]2C[C@@H]2C)c(C(=O)Nc2ccccc2[O-])cc1OC ZINC000270285480 497094089 /nfs/dbraw/zinc/09/40/89/497094089.db2.gz NKAAQEKXQFGRIX-RYUDHWBXSA-N -1 3 370.405 3.256 20 0 FGADHM Cc1n[nH]c(C(F)F)c1[N-]S(=O)(=O)Cc1ccc(F)c(Cl)c1 ZINC000278480227 497130322 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C[C@@H]1CCCN(Cc2csc(NC(=O)c3cc(F)cc4nn[n-]c43)n2)C1 ZINC000278628065 497173104 /nfs/dbraw/zinc/17/31/04/497173104.db2.gz MYYNORVAGYDNOV-SNVBAGLBSA-N -1 3 374.445 3.038 20 0 FGADHM C[C@@H]1CCCN(Cc2csc(NC(=O)c3cc(F)cc4n[n-]nc43)n2)C1 ZINC000278628065 497173112 /nfs/dbraw/zinc/17/31/12/497173112.db2.gz MYYNORVAGYDNOV-SNVBAGLBSA-N -1 3 374.445 3.038 20 0 FGADHM COCCN(Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1)CC(C)C ZINC000192646980 497174607 /nfs/dbraw/zinc/17/46/07/497174607.db2.gz UEWWLXIBNFPWED-UHFFFAOYSA-N -1 3 361.467 3.349 20 0 FGADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2ccc(Cl)nc2Cl)CC1 ZINC000278638846 497176141 /nfs/dbraw/zinc/17/61/41/497176141.db2.gz OUBONTYVFHBBQC-UHFFFAOYSA-N -1 3 366.248 3.052 20 0 FGADHM Cc1cc(C(=O)Nc2ccc(F)c([N-]S(C)(=O)=O)c2)c(C)n1C1CC1 ZINC000192666136 497179852 /nfs/dbraw/zinc/17/98/52/497179852.db2.gz ZWDGYIBKDXJDSX-UHFFFAOYSA-N -1 3 365.430 3.203 20 0 FGADHM COc1cccc(C2CCN(C(=O)c3cc(OC)c([O-])c(OC)c3)CC2)c1 ZINC000270736976 497191210 /nfs/dbraw/zinc/19/12/10/497191210.db2.gz WOKUGCHVGOKVFY-UHFFFAOYSA-N -1 3 371.433 3.438 20 0 FGADHM CO[C@@H](C[N-]S(=O)(=O)Cc1ccc(C)cc1F)c1ccc(F)cc1 ZINC000192744253 497200905 /nfs/dbraw/zinc/20/09/05/497200905.db2.gz WFFVOHLDZLCFFO-KRWDZBQOSA-N -1 3 355.406 3.080 20 0 FGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]CCc1ccc(Cl)cc1 ZINC000189665833 497202213 /nfs/dbraw/zinc/20/22/13/497202213.db2.gz FWQGJRCXGCRNMZ-UHFFFAOYSA-N -1 3 373.883 3.018 20 0 FGADHM COC(=O)c1cnc(SCc2cccc(SC(=O)N(C)C)c2)[n-]1 ZINC000278738160 497204949 /nfs/dbraw/zinc/20/49/49/497204949.db2.gz VEHVUGJRUHFEKX-UHFFFAOYSA-N -1 3 351.453 3.262 20 0 FGADHM COc1cc(CNc2ccc3oc(=O)[nH]c3c2)cc(Br)c1[O-] ZINC000237230377 497207656 /nfs/dbraw/zinc/20/76/56/497207656.db2.gz JKYWURZVYYZWRO-UHFFFAOYSA-N -1 3 365.183 3.210 20 0 FGADHM O=S(=O)(C[C@@H]1CCCCO1)[N-]c1cccc(C2SCCS2)c1 ZINC000265917578 497207898 /nfs/dbraw/zinc/20/78/98/497207898.db2.gz OWCRDPUOVXHTEA-AWEZNQCLSA-N -1 3 359.538 3.476 20 0 FGADHM C[C@@H]([N-]C(=O)C(F)(F)c1ccccc1F)c1ccc2c(c1)CC(=O)N2C ZINC000270813285 497208106 /nfs/dbraw/zinc/20/81/06/497208106.db2.gz MHRXYFLPTXTROU-LLVKDONJSA-N -1 3 362.351 3.314 20 0 FGADHM CN(C)c1ccc(S(=O)(=O)[N-]c2ccccc2[C@H](O)C(F)(F)F)cc1 ZINC000278770862 497215156 /nfs/dbraw/zinc/21/51/56/497215156.db2.gz STZXUKVMZACOMH-HNNXBMFYSA-N -1 3 374.384 3.149 20 0 FGADHM CC[C@@](C)([N-]S(=O)(=O)c1cc(Cl)ccc1OC)c1nccs1 ZINC000278821735 497232006 /nfs/dbraw/zinc/23/20/06/497232006.db2.gz POYWTGKVZKCUII-CQSZACIVSA-N -1 3 360.888 3.409 20 0 FGADHM CCCC[C@@H](CC)CNC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000192872940 497234373 /nfs/dbraw/zinc/23/43/73/497234373.db2.gz OYWLFCAIZLUEQQ-MRXNPFEDSA-N -1 3 361.486 3.076 20 0 FGADHM Cc1ccc(NC(=O)C(C)C)cc1NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000569273589 505894328 /nfs/dbraw/zinc/89/43/28/505894328.db2.gz QHFYUNXBWAZUFB-UHFFFAOYSA-N -1 3 354.410 3.215 20 0 FGADHM Cc1nc(C)c(C[N-]S(=O)(=O)c2ccc(Br)s2)s1 ZINC000266194147 497277714 /nfs/dbraw/zinc/27/77/14/497277714.db2.gz NJGBSLXIXBVNRY-UHFFFAOYSA-N -1 3 367.315 3.062 20 0 FGADHM COc1ccc(C(=O)N2CCC(OCc3ccccc3OC)CC2)c([O-])c1 ZINC000271224132 497295438 /nfs/dbraw/zinc/29/54/38/497295438.db2.gz ACWDRPPUOHNYDI-UHFFFAOYSA-N -1 3 371.433 3.231 20 0 FGADHM Cc1nc(Cl)ccc1NC([O-])=NOC[C@@H](C)NC(=O)OC(C)(C)C ZINC000279021310 497306872 /nfs/dbraw/zinc/30/68/72/497306872.db2.gz VSOSQIKXNODEQL-SECBINFHSA-N -1 3 358.826 3.010 20 0 FGADHM Cc1nc(Cl)ccc1NC(=O)[N-]OC[C@@H](C)NC(=O)OC(C)(C)C ZINC000279021310 497306876 /nfs/dbraw/zinc/30/68/76/497306876.db2.gz VSOSQIKXNODEQL-SECBINFHSA-N -1 3 358.826 3.010 20 0 FGADHM COC(=O)c1cccc(CS(=O)(=O)[N-]c2ccc(C)c3ncccc23)c1 ZINC000193126693 497308449 /nfs/dbraw/zinc/30/84/49/497308449.db2.gz RKRXHPLJXLAFIF-UHFFFAOYSA-N -1 3 370.430 3.272 20 0 FGADHM C[C@@H]1CN(Cc2csc([N-]C(=O)c3nc(Cl)cs3)n2)C[C@@H](C)O1 ZINC000279092367 497329871 /nfs/dbraw/zinc/32/98/71/497329871.db2.gz WIFGQUYCOXUMJO-RKDXNWHRSA-N -1 3 372.903 3.115 20 0 FGADHM O=S(=O)(C[C@@H]1CCCCO1)[N-]c1cc(F)c(F)cc1Br ZINC000271368247 497330113 /nfs/dbraw/zinc/33/01/13/497330113.db2.gz ZWINXGQLRMYAIB-QMMMGPOBSA-N -1 3 370.215 3.038 20 0 FGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]CCc1ccccc1Cl ZINC000190039923 497334984 /nfs/dbraw/zinc/33/49/84/497334984.db2.gz APPTUJIEEGJCBX-UHFFFAOYSA-N -1 3 373.883 3.018 20 0 FGADHM CCCCOc1ccc(C(=O)NCc2ccc(C(=O)N(C)C)cc2)c([O-])c1 ZINC000190052209 497339037 /nfs/dbraw/zinc/33/90/37/497339037.db2.gz SEFLUBZNQVWORH-UHFFFAOYSA-N -1 3 370.449 3.203 20 0 FGADHM COC(=O)c1sc2[n-]c(CN3CC[C@@H](C)C[C@@H](C)C3)nc(=O)c2c1C ZINC000253555029 497341377 /nfs/dbraw/zinc/34/13/77/497341377.db2.gz DQHAYHGMXQXXAK-GHMZBOCLSA-N -1 3 363.483 3.360 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N[C@@H]3[C@H]4CCO[C@H]4C34CCC4)c[n-]c12 ZINC000253555397 497341903 /nfs/dbraw/zinc/34/19/03/497341903.db2.gz FUVONMJFPFAREE-NXOUGTEYSA-N -1 3 356.397 3.075 20 0 FGADHM COc1ccc(C(=O)N2CCC[C@@H]2Cn2cnc3ccccc32)c([O-])c1 ZINC000271431287 497347681 /nfs/dbraw/zinc/34/76/81/497347681.db2.gz OQWAEEBBDXHYLN-CQSZACIVSA-N -1 3 351.406 3.055 20 0 FGADHM CO[C@H](C)CS(=O)(=O)[N-]c1ccc(CN2CCc3ccccc32)cc1 ZINC000193323871 497350930 /nfs/dbraw/zinc/35/09/30/497350930.db2.gz FRBQRUPXFWRBOF-OAHLLOKOSA-N -1 3 360.479 3.026 20 0 FGADHM O=C([N-]c1cc(-c2nc[nH]n2)ccc1F)c1csc([C@H]2CCCO2)n1 ZINC000279156651 497351642 /nfs/dbraw/zinc/35/16/42/497351642.db2.gz FWWYURXWYYECGY-CYBMUJFWSA-N -1 3 359.386 3.171 20 0 FGADHM C[C@@]1(CNC(=O)c2c[n-]nc2-c2ccc(Cl)s2)CCCC[C@@H]1O ZINC000190090882 497353748 /nfs/dbraw/zinc/35/37/48/497353748.db2.gz KFBZUMAIBHMSMX-LRDDRELGSA-N -1 3 353.875 3.463 20 0 FGADHM COc1ccc([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)cc1OC ZINC000243752149 497360791 /nfs/dbraw/zinc/36/07/91/497360791.db2.gz PXKVQLDLICVLGG-UHFFFAOYSA-N -1 3 351.424 3.292 20 0 FGADHM CCOC(=O)c1ccsc1[N-]C(=O)C(=O)N(C)[C@H](C)c1ccccc1C ZINC000266514803 497361624 /nfs/dbraw/zinc/36/16/24/497361624.db2.gz GNZPCSJMCRDTJI-CYBMUJFWSA-N -1 3 374.462 3.391 20 0 FGADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(N(C(C)=O)C3CC3)cc2)cc1 ZINC000244009142 497363167 /nfs/dbraw/zinc/36/31/67/497363167.db2.gz SJTJKAOCMZMITG-UHFFFAOYSA-N -1 3 374.462 3.401 20 0 FGADHM CCCNc1ccccc1NC(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC000190137680 497371908 /nfs/dbraw/zinc/37/19/08/497371908.db2.gz WEUDBXHZPILXFK-UHFFFAOYSA-N -1 3 355.438 3.281 20 0 FGADHM C/C=C/c1ccc([N-]S(=O)(=O)C[C@@H](C(=O)OC)c2ccccc2)cc1 ZINC000572155981 505902956 /nfs/dbraw/zinc/90/29/56/505902956.db2.gz UILPTQCKYFNQNN-NTSMAEHXSA-N -1 3 359.447 3.418 20 0 FGADHM Cc1ccc([O-])c(C(=O)N2CCC3(C[C@H]3N(C)Cc3nccs3)CC2)c1 ZINC000275695957 497405971 /nfs/dbraw/zinc/40/59/71/497405971.db2.gz NCWXXSWRARHXPS-QGZVFWFLSA-N -1 3 371.506 3.284 20 0 FGADHM COc1cc(-c2noc(-c3cn(-c4ccc(Cl)cc4)nn3)n2)ccc1[O-] ZINC000575015007 505904782 /nfs/dbraw/zinc/90/47/82/505904782.db2.gz IWUACGKCTVCIPH-UHFFFAOYSA-N -1 3 369.768 3.352 20 0 FGADHM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1CC(=O)Nc1ccc(F)cc1Cl ZINC000261603347 497417815 /nfs/dbraw/zinc/41/78/15/497417815.db2.gz CBJMPLKFKFULOJ-ONERCXAPSA-N -1 3 354.809 3.135 20 0 FGADHM O=S(=O)([N-]C[C@H]1NCCc2ccccc21)c1c(Cl)cccc1Cl ZINC000261613525 497420574 /nfs/dbraw/zinc/42/05/74/497420574.db2.gz BJILWFREHNPIDS-OAHLLOKOSA-N -1 3 371.289 3.159 20 0 FGADHM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000261694121 497434148 /nfs/dbraw/zinc/43/41/48/497434148.db2.gz NYIHPHNSGKEFCP-LKTVYLICSA-N -1 3 354.809 3.135 20 0 FGADHM COc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCCc3c(O)cccc32)c1 ZINC000190341306 497442637 /nfs/dbraw/zinc/44/26/37/497442637.db2.gz USAKUJSOIRDMSC-HNNXBMFYSA-N -1 3 367.854 3.410 20 0 FGADHM CC[C@H]1CN(Cc2cc([O-])ccc2Br)CCN1CC(F)F ZINC000575031240 505907850 /nfs/dbraw/zinc/90/78/50/505907850.db2.gz QRYHVIWYEZPWPP-LBPRGKRZSA-N -1 3 363.246 3.316 20 0 FGADHM CCO[C@H](CNC(=O)c1c[n-]c2c(C)cc(F)cc2c1=O)c1ccccc1 ZINC000193724526 497459415 /nfs/dbraw/zinc/45/94/15/497459415.db2.gz ZYJQXVLGHPBHHY-GOSISDBHSA-N -1 3 368.408 3.483 20 0 FGADHM COC(=O)c1nc([C@H]2CCCN2C(=O)c2cccc(C)c2[O-])sc1C ZINC000279670413 497504560 /nfs/dbraw/zinc/50/45/60/497504560.db2.gz LSLWAKNPPOASLV-CYBMUJFWSA-N -1 3 360.435 3.229 20 0 FGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]C[C@@H]3CCSC3)s2)cs1 ZINC000279681719 497508373 /nfs/dbraw/zinc/50/83/73/497508373.db2.gz FHOMPZBDNYPXRW-JTQLQIEISA-N -1 3 360.551 3.211 20 0 FGADHM COCCCC[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000190526534 497516838 /nfs/dbraw/zinc/51/68/38/497516838.db2.gz RIJKDTXUQHCMTP-UHFFFAOYSA-N -1 3 361.891 3.224 20 0 FGADHM COC[C@@H]([N-]S(=O)(=O)c1cc(C(C)C)c(OC)cc1C)c1ccco1 ZINC000193930515 497523088 /nfs/dbraw/zinc/52/30/88/497523088.db2.gz QBDPGORPBSMZEC-OAHLLOKOSA-N -1 3 367.467 3.386 20 0 FGADHM CCc1ccc(C(=O)N2CC[C@@H](n3c(C)nc4c3CCCC4)C2)c([O-])c1 ZINC000276248742 497529585 /nfs/dbraw/zinc/52/95/85/497529585.db2.gz PFXLTFCIODDVMK-MRXNPFEDSA-N -1 3 353.466 3.426 20 0 FGADHM CC(=O)c1cccc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)c(C)c3)C2)c1[O-] ZINC000575061567 505912443 /nfs/dbraw/zinc/91/24/43/505912443.db2.gz IWUDSWKSJZYZID-ZDUSSCGKSA-N -1 3 370.380 3.034 20 0 FGADHM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H]1CC=CCC1 ZINC000190570060 497531978 /nfs/dbraw/zinc/53/19/78/497531978.db2.gz HTCQHUPVQFOISK-KGLIPLIRSA-N -1 3 373.902 3.388 20 0 FGADHM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H]1CC=CCC1 ZINC000190570048 497531996 /nfs/dbraw/zinc/53/19/96/497531996.db2.gz HTCQHUPVQFOISK-KBPBESRZSA-N -1 3 373.902 3.388 20 0 FGADHM CC[C@@H]1CCC[C@@H]1c1nc(-c2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)no1 ZINC000581113786 505912751 /nfs/dbraw/zinc/91/27/51/505912751.db2.gz RSPPYGDROOWQRX-CILWKZBWSA-N -1 3 354.410 3.085 20 0 FGADHM O=C([N-]OC[C@H]1CCOC1)Nc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000276375766 497557392 /nfs/dbraw/zinc/55/73/92/497557392.db2.gz KROKLCHQZIUESJ-AWEZNQCLSA-N -1 3 355.394 3.029 20 0 FGADHM O=C([N-]OC[C@@H]1CCOC1)Nc1ccc(Oc2ccc(Cl)nn2)cc1 ZINC000276418674 497569559 /nfs/dbraw/zinc/56/95/59/497569559.db2.gz QOOUHMZYIAAXLO-LLVKDONJSA-N -1 3 364.789 3.012 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N3CCC[C@@H]3C(=O)OC(C)(C)C)c[n-]c12 ZINC000272243616 497575580 /nfs/dbraw/zinc/57/55/80/497575580.db2.gz TZRPNEVVOKQREX-OAHLLOKOSA-N -1 3 374.412 3.334 20 0 FGADHM CO[C@@H](C)c1nc(C[N-]S(=O)(=O)c2ccc(C)c(Cl)c2)cs1 ZINC000267619863 497588741 /nfs/dbraw/zinc/58/87/41/497588741.db2.gz KLSRZWRZJRRXSZ-JTQLQIEISA-N -1 3 360.888 3.291 20 0 FGADHM O=S(=O)([N-][C@@H]1CCC[C@@H]2OCC[C@H]21)c1ccc(F)cc1C(F)(F)F ZINC000246002808 497594320 /nfs/dbraw/zinc/59/43/20/497594320.db2.gz JFJXXBAVUTYLEM-UHTWSYAYSA-N -1 3 367.364 3.080 20 0 FGADHM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]CC1(C)CCC1 ZINC000190758462 497596042 /nfs/dbraw/zinc/59/60/42/497596042.db2.gz SLNMGPDXEOSOMI-GFCCVEGCSA-N -1 3 361.891 3.222 20 0 FGADHM Cc1nc(C)c(CCC(=O)N2CCC[C@@H]2Cc2ccccc2Cl)c(=O)[n-]1 ZINC000194243646 497612126 /nfs/dbraw/zinc/61/21/26/497612126.db2.gz HZHNAVBDDOLAHV-MRXNPFEDSA-N -1 3 373.884 3.206 20 0 FGADHM O=S(=O)([N-][C@@H]1CCC[C@H]2OCC[C@H]21)c1c(Cl)cccc1Cl ZINC000246079476 497614637 /nfs/dbraw/zinc/61/46/37/497614637.db2.gz ZMOUTFLBKLNHNH-ZWKOPEQDSA-N -1 3 350.267 3.229 20 0 FGADHM CC(=O)N(CC(=O)[O-])[C@@H]1CCCN([C@H](C)c2ccccc2Cl)CC1 ZINC000262760814 497615367 /nfs/dbraw/zinc/61/53/67/497615367.db2.gz KQQNDJMGFKSSQB-UKRRQHHQSA-N -1 3 352.862 3.189 20 0 FGADHM CCOCCN(Cc1ccc(C(=O)[O-])o1)C[C@H]1CCCCN1C(C)C ZINC000569370544 505918361 /nfs/dbraw/zinc/91/83/61/505918361.db2.gz FYLVRLAVLDEOED-MRXNPFEDSA-N -1 3 352.475 3.079 20 0 FGADHM Cc1cccnc1C(F)(F)C(=O)[N-]C[C@H](O)c1c(F)cccc1Cl ZINC000280039778 497628416 /nfs/dbraw/zinc/62/84/16/497628416.db2.gz ZJHXCKKPNMSABY-LBPRGKRZSA-N -1 3 358.747 3.124 20 0 FGADHM CSCCO[N-]C(=O)CCCc1nc(-c2ccc(Cl)cc2)no1 ZINC000280099376 497649127 /nfs/dbraw/zinc/64/91/27/497649127.db2.gz ULJGKTMBIQMHRU-UHFFFAOYSA-N -1 3 355.847 3.124 20 0 FGADHM NC(=O)c1ccccc1CC(=O)Nc1cc(Cc2ccccc2)ccc1[O-] ZINC000190960612 497661346 /nfs/dbraw/zinc/66/13/46/497661346.db2.gz RXFXMZMVELXHKE-UHFFFAOYSA-N -1 3 360.413 3.263 20 0 FGADHM O=C(c1ccc([O-])cc1)N1CCN(C[C@H]2CCC3(CCCCC3)O2)CC1 ZINC000190985697 497672079 /nfs/dbraw/zinc/67/20/79/497672079.db2.gz YMTOTPIOEVMXOL-LJQANCHMSA-N -1 3 358.482 3.032 20 0 FGADHM O=S(=O)([N-]C1CCSCC1)c1cccc(Cl)c1Br ZINC000276908657 497684779 /nfs/dbraw/zinc/68/47/79/497684779.db2.gz MXNDAPRFTRMEDW-UHFFFAOYSA-N -1 3 370.721 3.276 20 0 FGADHM CCN(C(=O)CN1CCC[C@H](CCC(=O)[O-])C1)[C@@H](C)c1ccc(F)cc1 ZINC000263042594 497689575 /nfs/dbraw/zinc/68/95/75/497689575.db2.gz COHHUHSOKLCCHY-JKSUJKDBSA-N -1 3 364.461 3.312 20 0 FGADHM COc1ccc(OCc2ccccn2)c(CN2C[C@H](C)C[C@@H](C(=O)[O-])C2)c1 ZINC000263050149 497691461 /nfs/dbraw/zinc/69/14/61/497691461.db2.gz KRDVGFDMVPLREO-NVXWUHKLSA-N -1 3 370.449 3.212 20 0 FGADHM Cc1nn(Cc2ccc(F)cc2)c(Cl)c1CNC[C@H](C(=O)[O-])C(C)C ZINC000276938010 497693910 /nfs/dbraw/zinc/69/39/10/497693910.db2.gz AAPSKWHOIOLGTF-HNNXBMFYSA-N -1 3 367.852 3.479 20 0 FGADHM CSCC[C@H](NCc1ccc(Cl)cc1Br)C(=O)[O-] ZINC000276948357 497696337 /nfs/dbraw/zinc/69/63/37/497696337.db2.gz 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C[C@H](Sc1n[n-]c(COc2ccc(Cl)cc2)n1)c1nncn1C ZINC000286503551 498419259 /nfs/dbraw/zinc/41/92/59/498419259.db2.gz IUNJLBHWYSWRRS-VIFPVBQESA-N -1 3 350.835 3.019 20 0 FGADHM [O-]c1cccc(CNCc2cc(F)ccc2N2CCOCC2)c1Cl ZINC000293603657 498425890 /nfs/dbraw/zinc/42/58/90/498425890.db2.gz PCKDYUHYNVSDOF-UHFFFAOYSA-N -1 3 350.821 3.311 20 0 FGADHM Cc1nc(C)c(CCC(=O)N2CCS[C@@H](c3ccccc3)C2)c(=O)[n-]1 ZINC000365372432 498429239 /nfs/dbraw/zinc/42/92/39/498429239.db2.gz PEDAUYWWBNZIMH-QGZVFWFLSA-N -1 3 357.479 3.048 20 0 FGADHM CC(=O)N1CCN(c2ccccc2CNCc2cccc([O-])c2Cl)CC1 ZINC000293650845 498441891 /nfs/dbraw/zinc/44/18/91/498441891.db2.gz SKCOYZZNJYLIRH-UHFFFAOYSA-N -1 3 373.884 3.004 20 0 FGADHM COc1ccc([C@H]2C[C@H]([N-]S(=O)(=O)c3cc(C)cs3)C2)cc1F ZINC000581648636 506036735 /nfs/dbraw/zinc/03/67/35/506036735.db2.gz JLOPFDAGWWYSIW-JOCQHMNTSA-N -1 3 355.456 3.429 20 0 FGADHM COC(=O)C(C)(C)c1csc(NC(=O)c2cc([O-])ccc2Cl)n1 ZINC000293700202 498459424 /nfs/dbraw/zinc/45/94/24/498459424.db2.gz 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/nfs/dbraw/zinc/67/55/10/498675510.db2.gz INWSBBAIJYZTFV-UHFFFAOYSA-N -1 3 366.458 3.352 20 0 FGADHM Cc1ccc2c(CSc3nnc(N4CCOCC4)s3)ccc([O-])c2n1 ZINC000581762370 506062177 /nfs/dbraw/zinc/06/21/77/506062177.db2.gz SOWMEVOEPPQFMK-UHFFFAOYSA-N -1 3 374.491 3.229 20 0 FGADHM C[C@@H]1CN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)[C@@H]1C ZINC000294400874 498682829 /nfs/dbraw/zinc/68/28/29/498682829.db2.gz YPFNKGWYVHRGBP-CHWSQXEVSA-N -1 3 362.426 3.107 20 0 FGADHM O=C(c1cc(F)cc2[n-]nnc21)N(Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000576094623 506075306 /nfs/dbraw/zinc/07/53/06/506075306.db2.gz XABUUPKOHMWHPF-HNNXBMFYSA-N -1 3 372.375 3.058 20 0 FGADHM O=C(c1cc(F)cc2nn[n-]c21)N(Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000576094623 506075308 /nfs/dbraw/zinc/07/53/08/506075308.db2.gz XABUUPKOHMWHPF-HNNXBMFYSA-N -1 3 372.375 3.058 20 0 FGADHM O=C(c1cc(F)cc2n[n-]nc21)N(Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000576094623 506075310 /nfs/dbraw/zinc/07/53/10/506075310.db2.gz XABUUPKOHMWHPF-HNNXBMFYSA-N -1 3 372.375 3.058 20 0 FGADHM O=C(c1cc(F)cc2[n-]nnc21)N(Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000576094624 506075479 /nfs/dbraw/zinc/07/54/79/506075479.db2.gz XABUUPKOHMWHPF-OAHLLOKOSA-N -1 3 372.375 3.058 20 0 FGADHM O=C(c1cc(F)cc2nn[n-]c21)N(Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000576094624 506075485 /nfs/dbraw/zinc/07/54/85/506075485.db2.gz XABUUPKOHMWHPF-OAHLLOKOSA-N -1 3 372.375 3.058 20 0 FGADHM O=C(c1cc(F)cc2n[n-]nc21)N(Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000576094624 506075490 /nfs/dbraw/zinc/07/54/90/506075490.db2.gz XABUUPKOHMWHPF-OAHLLOKOSA-N -1 3 372.375 3.058 20 0 FGADHM CC1(C)CCCC[C@H]1C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000332506176 498706427 /nfs/dbraw/zinc/70/64/27/498706427.db2.gz BKSBOJYFICFLEB-KRWDZBQOSA-N -1 3 358.482 3.329 20 0 FGADHM CCOc1cc(CNCc2cccnc2OCCOC)cc(Cl)c1[O-] ZINC000298246687 498708514 /nfs/dbraw/zinc/70/85/14/498708514.db2.gz CZZATSFDFADWGP-UHFFFAOYSA-N -1 3 366.845 3.154 20 0 FGADHM CCc1cc2c(CN(CCOC)Cc3ccccn3)cc(=O)oc2cc1[O-] ZINC000287313646 498712292 /nfs/dbraw/zinc/71/22/92/498712292.db2.gz JOCUZHJKSCMODU-UHFFFAOYSA-N -1 3 368.433 3.105 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)NC[C@H](CO)C3CCCCC3)c[n-]c12 ZINC000294509865 498712970 /nfs/dbraw/zinc/71/29/70/498712970.db2.gz KEWOJOJAPQYYEG-CQSZACIVSA-N -1 3 360.429 3.307 20 0 FGADHM O=C([N-]c1nnc(C2CCOCC2)s1)c1cncnc1-c1ccccc1 ZINC000294526312 498719773 /nfs/dbraw/zinc/71/97/73/498719773.db2.gz ZBQDDZZCPOXUDI-UHFFFAOYSA-N -1 3 367.434 3.141 20 0 FGADHM COCCc1ccc(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCO3)cc1 ZINC000298293578 498724908 /nfs/dbraw/zinc/72/49/08/498724908.db2.gz FPSHLGPLJBAHSA-UHFFFAOYSA-N -1 3 369.826 3.058 20 0 FGADHM CC(C)(C)NC(=O)N1CCC(NC(=O)c2cc([O-])c3ccccc3c2)CC1 ZINC000332600123 498737411 /nfs/dbraw/zinc/73/74/11/498737411.db2.gz MCPLBBRQXBDQDA-UHFFFAOYSA-N -1 3 369.465 3.248 20 0 FGADHM CNC(=O)c1ccc(C)c(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)c1 ZINC000332633330 498748490 /nfs/dbraw/zinc/74/84/90/498748490.db2.gz JVNOJEXXMKTOKD-UHFFFAOYSA-N -1 3 354.406 3.026 20 0 FGADHM Cc1ccoc1C[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000311419051 498751480 /nfs/dbraw/zinc/75/14/80/498751480.db2.gz ADDITVCQWLBOMS-UHFFFAOYSA-N -1 3 364.648 3.482 20 0 FGADHM CC(C)n1cnnc1C[N-]C(=O)C(F)(F)c1ccccc1Br ZINC000294624965 498752152 /nfs/dbraw/zinc/75/21/52/498752152.db2.gz PJNCMAIQPUPXGU-UHFFFAOYSA-N -1 3 373.201 3.030 20 0 FGADHM CC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)[C@@H](O)CC ZINC000313101875 498766241 /nfs/dbraw/zinc/76/62/41/498766241.db2.gz UYGAQXZPVAVESF-MNOVXSKESA-N -1 3 359.797 3.187 20 0 FGADHM CC1CCN(c2ccc(-c3nc(-c4ccc5n[n-]nc5c4)no3)cn2)CC1 ZINC000572949615 506090619 /nfs/dbraw/zinc/09/06/19/506090619.db2.gz VEWHOIPVNPUIRV-UHFFFAOYSA-N -1 3 361.409 3.306 20 0 FGADHM [O-]c1ccc(F)c(CNCCCCn2cc(Br)cn2)c1F ZINC000294761017 498796660 /nfs/dbraw/zinc/79/66/60/498796660.db2.gz SEDMETSGCWONBC-UHFFFAOYSA-N -1 3 360.202 3.199 20 0 FGADHM CC(C)(C)OC(=O)c1cnc(C(=O)[N-]c2ncc(C(F)(F)F)s2)cn1 ZINC000283151244 498799401 /nfs/dbraw/zinc/79/94/01/498799401.db2.gz JURCLIFCSRQKLR-UHFFFAOYSA-N -1 3 374.344 3.160 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)Cc3cn4ccccc4n3)c2)n1 ZINC000363412158 498806419 /nfs/dbraw/zinc/80/64/19/498806419.db2.gz XFRNFLOQKZQQOJ-UHFFFAOYSA-N -1 3 373.416 3.241 20 0 FGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@H]3CCC[C@H](CO)C3)s2)cs1 ZINC000581932608 506093904 /nfs/dbraw/zinc/09/39/04/506093904.db2.gz JWKKBWUIEXMXRB-RYUDHWBXSA-N -1 3 372.537 3.009 20 0 FGADHM CC(C)[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1Cl)C(=O)OC(C)(C)C ZINC000322099942 498815553 /nfs/dbraw/zinc/81/55/53/498815553.db2.gz SDOFCTAOHCBECV-CYBMUJFWSA-N -1 3 365.854 3.124 20 0 FGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@H]1CCCC[C@@H]1C(C)C ZINC000323133702 498819803 /nfs/dbraw/zinc/81/98/03/498819803.db2.gz ZJKWYKVVSDYAKH-OLZOCXBDSA-N -1 3 359.513 3.336 20 0 FGADHM Cc1cccc2c(=O)c(C(=O)N3CC4(CCC4)[C@H]3[C@H]3CCCO3)c[n-]c12 ZINC000332888832 498825277 /nfs/dbraw/zinc/82/52/77/498825277.db2.gz HWPXYPAEADSWGG-VQIMIIECSA-N -1 3 352.434 3.010 20 0 FGADHM O=C([N-]C[C@H]1CCCN(C(=O)[C@@H]2CCCc3ccccc32)C1)C(F)(F)F ZINC000291171124 498827036 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FGADHM O=C(N[C@@H]1CCOC2(CCSCC2)C1)c1cc2c(cc1[O-])CCCC2 ZINC000333047616 498881579 /nfs/dbraw/zinc/88/15/79/498881579.db2.gz KRZFWVPJKLQIFE-MRXNPFEDSA-N -1 3 361.507 3.446 20 0 FGADHM CCOc1nc2cc(C(=O)NCc3nc4cc(F)ccc4o3)ccc2[n-]1 ZINC000579167412 506108513 /nfs/dbraw/zinc/10/85/13/506108513.db2.gz ZLEYHFSAXDFASY-UHFFFAOYSA-N -1 3 354.341 3.172 20 0 FGADHM CCOc1nc2ccc(C(=O)NCc3nc4cc(F)ccc4o3)cc2[n-]1 ZINC000579167412 506108516 /nfs/dbraw/zinc/10/85/16/506108516.db2.gz ZLEYHFSAXDFASY-UHFFFAOYSA-N -1 3 354.341 3.172 20 0 FGADHM COC[C@@H]([N-]S(=O)(=O)C[C@H]1CCCC1(F)F)c1ccc(F)c(F)c1 ZINC000295076543 498901471 /nfs/dbraw/zinc/90/14/71/498901471.db2.gz CZUIWXNNGZWHJT-BXUZGUMPSA-N -1 3 369.380 3.007 20 0 FGADHM COc1ccc(CN[C@H](CO)c2ccc(F)cc2)c(Br)c1[O-] ZINC000295078570 498902449 /nfs/dbraw/zinc/90/24/49/498902449.db2.gz HYSWEYGGNHMMAC-CYBMUJFWSA-N -1 3 370.218 3.126 20 0 FGADHM Cn1cc([C@H]2CCCCN2C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)cn1 ZINC000333121673 498906469 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Cc1cc(C)c(C(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)c(C)c1 ZINC000291435190 498939474 /nfs/dbraw/zinc/93/94/74/498939474.db2.gz MDWKSWLSBZSCSP-AWEZNQCLSA-N -1 3 356.388 3.143 20 0 FGADHM CO[C@H](CS(=O)(=O)[N-]c1ccc([C@H]2CCOC2)cc1)c1ccccc1 ZINC000295200279 498940886 /nfs/dbraw/zinc/94/08/86/498940886.db2.gz NBIISSIBOLCCCL-PKOBYXMFSA-N -1 3 361.463 3.320 20 0 FGADHM COc1cc2c(cc1F)[n-]cc(C(=O)N1CC3(CCC3)[C@@H]1C(C)C)c2=O ZINC000576259319 506115598 /nfs/dbraw/zinc/11/55/98/506115598.db2.gz FTCFUTJRBZEBIV-SFHVURJKSA-N -1 3 358.413 3.327 20 0 FGADHM CC(C)(C)c1cnc(CN2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)s1 ZINC000291499091 498965763 /nfs/dbraw/zinc/96/57/63/498965763.db2.gz HGIREBDEBVYYCK-NSHDSACASA-N -1 3 363.449 3.331 20 0 FGADHM O=C1CC[C@H]([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)[C@@H](C2CC2)N1 ZINC000328869517 498967416 /nfs/dbraw/zinc/96/74/16/498967416.db2.gz HPTRQINSSFJQAV-GXTWGEPZSA-N -1 3 363.266 3.169 20 0 FGADHM Cc1cccc([C@H](NC(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)C(F)(F)F)c1 ZINC000576279280 506119798 /nfs/dbraw/zinc/11/97/98/506119798.db2.gz ABAGFYKHCTVOQR-ZFWWWQNUSA-N -1 3 368.359 3.417 20 0 FGADHM C[C@@H]1C[C@]2(C[C@H]2C(=O)[N-]OCc2ccc(F)cc2Br)CCO1 ZINC000363741743 498969853 /nfs/dbraw/zinc/96/98/53/498969853.db2.gz WERNLUIDOWTVNW-HICWGWBUSA-N -1 3 372.234 3.341 20 0 FGADHM O=C(c1ccc(C(=O)N2CCC3(C2)CCOCC3)cc1)c1cccc([O-])c1 ZINC000363744428 498971342 /nfs/dbraw/zinc/97/13/42/498971342.db2.gz QKEQUHAVZJFQNW-UHFFFAOYSA-N -1 3 365.429 3.266 20 0 FGADHM CC1CCN(C(=O)C2CCN(Cc3c(F)ccc([O-])c3F)CC2)CC1 ZINC000295331278 498981990 /nfs/dbraw/zinc/98/19/90/498981990.db2.gz MAHGQFJWFFXOST-UHFFFAOYSA-N -1 3 352.425 3.141 20 0 FGADHM CC(=O)Nc1ccc(S(=O)(=O)[N-][C@H](C)C(F)(F)F)c2ccccc12 ZINC000288312177 498991191 /nfs/dbraw/zinc/99/11/91/498991191.db2.gz HSWORJLKGIKXPY-SECBINFHSA-N -1 3 360.357 3.027 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)c3[nH]c4ccccc4c3OC)[n-]c21 ZINC000573124801 506124158 /nfs/dbraw/zinc/12/41/58/506124158.db2.gz KJSRHJXLVDOOFR-UHFFFAOYSA-N -1 3 364.361 3.092 20 0 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PVNKACIRENTRIT-LLVKDONJSA-N -1 3 366.291 3.375 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Cl)[C@@H](O)Cc1ccccc1 ZINC000429870813 500159383 /nfs/dbraw/zinc/15/93/83/500159383.db2.gz JHGBNKPAWMJWMO-ABAIWWIYSA-N -1 3 374.289 3.264 20 0 FGADHM CCn1cncc1CN1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000417738045 500160458 /nfs/dbraw/zinc/16/04/58/500160458.db2.gz WUNVUVYKKQLORG-UHFFFAOYSA-N -1 3 362.861 3.113 20 0 FGADHM Cc1ccccc1C[C@H](CO)[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000429877736 500161017 /nfs/dbraw/zinc/16/10/17/500161017.db2.gz PLVNSXVWNHXPGC-CQSZACIVSA-N -1 3 374.289 3.184 20 0 FGADHM C[C@@H]1C[C@@H](CC[N-]S(=O)(=O)c2ccc(Cl)cc2Cl)CCO1 ZINC000429883430 500161580 /nfs/dbraw/zinc/16/15/80/500161580.db2.gz HYVPWVSFVLHXLG-MNOVXSKESA-N -1 3 352.283 3.477 20 0 FGADHM O=S(=O)([N-]C[C@@H]1CCC(F)(F)C1)c1ccc(Br)c(F)c1 ZINC000429902701 500164528 /nfs/dbraw/zinc/16/45/28/500164528.db2.gz PNDDNCLNNSBACC-MRVPVSSYSA-N -1 3 372.206 3.302 20 0 FGADHM Cc1cc(C(=O)NC[C@H]2CSCCN2Cc2ccccc2)ccc1[O-] ZINC000430103233 500192619 /nfs/dbraw/zinc/19/26/19/500192619.db2.gz GZBJWXGFRVHTPA-SFHVURJKSA-N -1 3 356.491 3.048 20 0 FGADHM Cc1cccc(O[C@@H](C)C(=O)N=c2cc3ccc(Br)cn3[n-]2)c1 ZINC000430132983 500197466 /nfs/dbraw/zinc/19/74/66/500197466.db2.gz DLUHVXNUNTVOTM-LBPRGKRZSA-N -1 3 374.238 3.233 20 0 FGADHM CCc1ccc(OCC(=O)N=c2cc3ccc(Br)cn3[n-]2)cc1 ZINC000430135143 500198057 /nfs/dbraw/zinc/19/80/57/500198057.db2.gz FNCHTXZHAGXMDY-UHFFFAOYSA-N -1 3 374.238 3.099 20 0 FGADHM O=C(Cc1ccccc1Cl)N=c1cc2ccc(Br)cn2[n-]1 ZINC000430159739 500202367 /nfs/dbraw/zinc/20/23/67/500202367.db2.gz DZJKCMUJSXOSDF-UHFFFAOYSA-N -1 3 364.630 3.353 20 0 FGADHM COC(=O)[C@H](CNC(=O)c1ccc(Cl)s1)Cc1ccc([O-])c(F)c1 ZINC000422035424 500202907 /nfs/dbraw/zinc/20/29/07/500202907.db2.gz GUFSFBWRRUAFES-JTQLQIEISA-N -1 3 371.817 3.008 20 0 FGADHM COC(=O)[C@H](CNC(=O)C[C@@H](C)c1ccccc1)Cc1ccc([O-])c(F)c1 ZINC000422041110 500203994 /nfs/dbraw/zinc/20/39/94/500203994.db2.gz OBXIWWZEBUTTBK-PBHICJAKSA-N -1 3 373.424 3.173 20 0 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FGADHM Cc1nc(CCCNCc2cnn(-c3ccc(F)cc3)c2)sc1C(=O)[O-] ZINC000426682981 500305940 /nfs/dbraw/zinc/30/59/40/500305940.db2.gz NPDJTYFDINMROJ-UHFFFAOYSA-N -1 3 374.441 3.197 20 0 FGADHM COc1c(Br)cccc1CN[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000426678750 500305987 /nfs/dbraw/zinc/30/59/87/500305987.db2.gz RQDGOHQJHGOSIC-HNNXBMFYSA-N -1 3 364.239 3.243 20 0 FGADHM O=C([O-])COc1ccc(CCNCc2ccccc2OC(F)(F)F)cc1 ZINC000426706403 500308735 /nfs/dbraw/zinc/30/87/35/500308735.db2.gz SNPYILWBXPMLLA-UHFFFAOYSA-N -1 3 369.339 3.381 20 0 FGADHM CCCSC[C@H](NCc1cc(Cl)c2c(c1)OCCCO2)C(=O)[O-] ZINC000426761909 500317179 /nfs/dbraw/zinc/31/71/79/500317179.db2.gz FIZFRRTULYCFEW-ZDUSSCGKSA-N -1 3 359.875 3.187 20 0 FGADHM CC(C)(C)C[C@@H](NCc1cn(-c2ccc(F)cc2Cl)nn1)C(=O)[O-] ZINC000426831995 500326534 /nfs/dbraw/zinc/32/65/34/500326534.db2.gz HMPBPLXGUJYJMC-CYBMUJFWSA-N -1 3 354.813 3.039 20 0 FGADHM COC(=O)c1coc(C(=O)[N-]c2cc(Cl)c(Cl)cc2C(=O)OC)c1 ZINC000431154266 500342494 /nfs/dbraw/zinc/34/24/94/500342494.db2.gz VBQZPRAFWXKZQY-UHFFFAOYSA-N -1 3 372.160 3.412 20 0 FGADHM COC(=O)c1cccc(NC(=O)c2cc(C(F)(F)F)n[n-]2)c1OC(C)C ZINC000427005533 500343570 /nfs/dbraw/zinc/34/35/70/500343570.db2.gz TXXLNMPBRZSIMW-UHFFFAOYSA-N -1 3 371.315 3.255 20 0 FGADHM COC(=O)c1cccc(NC(=O)c2cc(C(F)(F)F)[n-]n2)c1OC(C)C ZINC000427005533 500343573 /nfs/dbraw/zinc/34/35/73/500343573.db2.gz TXXLNMPBRZSIMW-UHFFFAOYSA-N -1 3 371.315 3.255 20 0 FGADHM CCCc1ccc(S(=O)(=O)[N-]c2ccc(F)c(NC(N)=O)c2)cc1 ZINC000431184878 500347161 /nfs/dbraw/zinc/34/71/61/500347161.db2.gz VTDZLPCLUSNPLN-UHFFFAOYSA-N -1 3 351.403 3.070 20 0 FGADHM CCc1ccccc1S(=O)(=O)[N-]c1cccc(C(=O)OC)c1Cl ZINC000431184285 500347491 /nfs/dbraw/zinc/34/74/91/500347491.db2.gz SISHSLSKHAOWHD-UHFFFAOYSA-N -1 3 353.827 3.490 20 0 FGADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1ccc2c3c(cccc31)CC2 ZINC000427073804 500350678 /nfs/dbraw/zinc/35/06/78/500350678.db2.gz LCGOPQJVBZTUIL-UHFFFAOYSA-N -1 3 355.401 3.295 20 0 FGADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1ccc2c3c(cccc31)CC2 ZINC000427073804 500350680 /nfs/dbraw/zinc/35/06/80/500350680.db2.gz LCGOPQJVBZTUIL-UHFFFAOYSA-N -1 3 355.401 3.295 20 0 FGADHM O=C(CNC(=O)c1cccc([O-])c1)Nc1ccc(Cl)cc1-n1cccc1 ZINC000427087051 500351977 /nfs/dbraw/zinc/35/19/77/500351977.db2.gz WRUSNGPLZZZWNO-UHFFFAOYSA-N -1 3 369.808 3.205 20 0 FGADHM COc1cccc(CN(C)C(=O)Cc2ccc(Br)cc2[O-])c1 ZINC000431258972 500355823 /nfs/dbraw/zinc/35/58/23/500355823.db2.gz MPLMCPNGGRFGBP-UHFFFAOYSA-N -1 3 364.239 3.364 20 0 FGADHM O=C(Cc1ccc(Br)cc1[O-])NCCOc1ccccc1F ZINC000431268174 500357069 /nfs/dbraw/zinc/35/70/69/500357069.db2.gz BZQPLYMTMDXPGU-UHFFFAOYSA-N -1 3 368.202 3.032 20 0 FGADHM CCc1ccc(-c2nc(CC(=O)Nc3c(C)[nH]c(=O)[n-]c3=O)cs2)cc1 ZINC000427154034 500360339 /nfs/dbraw/zinc/36/03/39/500360339.db2.gz VEZSQTILTKRBIW-UHFFFAOYSA-N -1 3 370.434 3.063 20 0 FGADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)CCC(=O)c1csc2ccccc12 ZINC000427167454 500362092 /nfs/dbraw/zinc/36/20/92/500362092.db2.gz OAGRMJMLQDRTKU-UHFFFAOYSA-N -1 3 357.391 3.013 20 0 FGADHM COC(=O)C1(CS(=O)(=O)[N-]c2ccc(CSC)cc2)CCCCC1 ZINC000427206796 500367344 /nfs/dbraw/zinc/36/73/44/500367344.db2.gz RRWFWJONXDHHEG-UHFFFAOYSA-N -1 3 371.524 3.415 20 0 FGADHM CCOc1ccc(NC(=O)CSCc2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC000419609396 500384214 /nfs/dbraw/zinc/38/42/14/500384214.db2.gz XCIXJQNKEDASIU-UHFFFAOYSA-N -1 3 359.451 3.330 20 0 FGADHM CC(C)Oc1nc(C(F)(F)F)ccc1C(=O)[N-]c1nc2ccccn2n1 ZINC000427393439 500388652 /nfs/dbraw/zinc/38/86/52/500388652.db2.gz ZSXSXALKHSIVCM-UHFFFAOYSA-N -1 3 365.315 3.183 20 0 FGADHM COc1ccncc1C[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000431572163 500393728 /nfs/dbraw/zinc/39/37/28/500393728.db2.gz VCGCVNNKPZPPAK-UHFFFAOYSA-N -1 3 361.250 3.184 20 0 FGADHM CC[C@H]1CC[C@H]([N-]S(=O)(=O)c2cc(F)ccc2OCCOC)CC1 ZINC000431582289 500394581 /nfs/dbraw/zinc/39/45/81/500394581.db2.gz JVVAZFPSTSSJCO-CTYIDZIISA-N -1 3 359.463 3.098 20 0 FGADHM CCc1c(C(=O)Nc2ccc([O-])cc2F)nnn1Cc1ccc(F)cc1 ZINC000427468151 500396698 /nfs/dbraw/zinc/39/66/98/500396698.db2.gz ACHLSDGFVABYPZ-UHFFFAOYSA-N -1 3 358.348 3.125 20 0 FGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)C(F)F)cc1C ZINC000431622827 500400247 /nfs/dbraw/zinc/40/02/47/500400247.db2.gz QLGCGYXWNKIZSQ-OAHLLOKOSA-N -1 3 369.389 3.066 20 0 FGADHM CCn1cc(-c2nn(C)cc2C(=O)Nc2cc(Cl)cc(C)c2[O-])cn1 ZINC000427641152 500415001 /nfs/dbraw/zinc/41/50/01/500415001.db2.gz DVEOMVPKGHXMHK-UHFFFAOYSA-N -1 3 359.817 3.223 20 0 FGADHM CCn1cc(-c2n[nH]cc2C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)cn1 ZINC000427641490 500415006 /nfs/dbraw/zinc/41/50/06/500415006.db2.gz HVFDZOBZPBPRFL-UHFFFAOYSA-N -1 3 365.315 3.270 20 0 FGADHM O=C([O-])[C@@H]1[C@H]2CCC[C@H]2CN1Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000576592131 506194253 /nfs/dbraw/zinc/19/42/53/506194253.db2.gz VVIZRDBMQDELEC-JDFRZJQESA-N -1 3 372.446 3.224 20 0 FGADHM C[C@@H](NC(=O)c1cc(F)cc2nn[n-]c21)c1cccc(OC(F)F)c1 ZINC000431747120 500419030 /nfs/dbraw/zinc/41/90/30/500419030.db2.gz YGTPPMQRJRSYGR-MRVPVSSYSA-N -1 3 350.300 3.189 20 0 FGADHM C[C@@H](NC(=O)c1cc(F)cc2[n-]nnc21)c1cccc(OC(F)F)c1 ZINC000431747120 500419033 /nfs/dbraw/zinc/41/90/33/500419033.db2.gz YGTPPMQRJRSYGR-MRVPVSSYSA-N -1 3 350.300 3.189 20 0 FGADHM C[C@@H](NC(=O)c1cc(F)cc2n[n-]nc21)c1cccc(OC(F)F)c1 ZINC000431747120 500419034 /nfs/dbraw/zinc/41/90/34/500419034.db2.gz YGTPPMQRJRSYGR-MRVPVSSYSA-N -1 3 350.300 3.189 20 0 FGADHM COc1c(=O)[n-]c(=O)[nH]c1C(=O)Nc1ccc(Oc2cccc(F)c2)cc1 ZINC000431765084 500421246 /nfs/dbraw/zinc/42/12/46/500421246.db2.gz KWEAUURXUPWISD-UHFFFAOYSA-N -1 3 371.324 3.080 20 0 FGADHM O=C(NCCc1csc(N2CCCC2)n1)c1cc([O-])ccc1Cl ZINC000431776858 500423404 /nfs/dbraw/zinc/42/34/04/500423404.db2.gz ULNUHXWKMLPKHF-UHFFFAOYSA-N -1 3 351.859 3.075 20 0 FGADHM Cc1nccc(C[N-]S(=O)(=O)c2csc3ccc(Cl)cc32)n1 ZINC000431797460 500425910 /nfs/dbraw/zinc/42/59/10/500425910.db2.gz DJQUNBPXEFPCDL-UHFFFAOYSA-N -1 3 353.856 3.132 20 0 FGADHM O=C(Cc1ccc(Br)cc1[O-])NCc1ccc(F)c(F)c1 ZINC000431849107 500433797 /nfs/dbraw/zinc/43/37/97/500433797.db2.gz QHXGGRGXQJDIEE-UHFFFAOYSA-N -1 3 356.166 3.292 20 0 FGADHM C[C@@H](c1cccs1)c1nc(-c2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)no1 ZINC000582364528 506196267 /nfs/dbraw/zinc/19/62/67/506196267.db2.gz JPMICWVTBSUFCE-YPMLDQLKSA-N -1 3 368.418 3.005 20 0 FGADHM O=C(CNC(=O)c1cccc([O-])c1)N1CCc2c1cccc2-c1ccccc1 ZINC000427830697 500438231 /nfs/dbraw/zinc/43/82/31/500438231.db2.gz VURGLOWHOJAILZ-UHFFFAOYSA-N -1 3 372.424 3.378 20 0 FGADHM CCCCc1nc2cc([N-]S(=O)(=O)CCOCC3CC3)ccc2[nH]1 ZINC000424057002 500444421 /nfs/dbraw/zinc/44/44/21/500444421.db2.gz ARTIQLRZIBOLLL-UHFFFAOYSA-N -1 3 351.472 3.074 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)c1cc(C(=O)OC)c(C)o1)c1ccc(Cl)cc1 ZINC000431993260 500452542 /nfs/dbraw/zinc/45/25/42/500452542.db2.gz QHDBBNIBYSDFOG-AWEZNQCLSA-N -1 3 371.842 3.458 20 0 FGADHM C[C@H](c1cccs1)c1nc(-c2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)no1 ZINC000582364525 506196612 /nfs/dbraw/zinc/19/66/12/506196612.db2.gz JPMICWVTBSUFCE-MGNBDDOMSA-N -1 3 368.418 3.005 20 0 FGADHM O=C(CNC(=O)c1cccc([O-])c1)Nc1ccc(Cl)cc1OC(F)F ZINC000428005429 500457338 /nfs/dbraw/zinc/45/73/38/500457338.db2.gz KQJOJLUJFBAJLK-UHFFFAOYSA-N -1 3 370.739 3.016 20 0 FGADHM Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)N=c1cc(OC(F)F)n(C)[n-]1 ZINC000428111768 500470223 /nfs/dbraw/zinc/47/02/23/500470223.db2.gz RPOINFMETBTVCU-LBPRGKRZSA-N -1 3 366.412 3.461 20 0 FGADHM O=C([O-])CC[C@H]1CCCCN1CC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000424250321 500475112 /nfs/dbraw/zinc/47/51/12/500475112.db2.gz BLERVEBQLMWHRC-HXUWFJFHSA-N -1 3 372.509 3.187 20 0 FGADHM CCOCCCN1CC[C@H](N=c2nc(C3CCCC3)[n-]s2)[C@@H](C)C1 ZINC000420605150 500476567 /nfs/dbraw/zinc/47/65/67/500476567.db2.gz UFIVXQLHTVSYEK-HOCLYGCPSA-N -1 3 352.548 3.167 20 0 FGADHM O=C([O-])CC[C@@H]1CCCCN1[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000424261776 500477686 /nfs/dbraw/zinc/47/76/86/500477686.db2.gz PKQMMQLAYOEHQM-LRDDRELGSA-N -1 3 368.836 3.304 20 0 FGADHM Cc1nc(C)c(CC(=O)Nc2ccc(Oc3ccncc3)c(C)c2)c(=O)[n-]1 ZINC000428193788 500479426 /nfs/dbraw/zinc/47/94/26/500479426.db2.gz REIKQAXQOQUEKF-UHFFFAOYSA-N -1 3 364.405 3.476 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F)C1CCOCC1 ZINC000420687705 500488082 /nfs/dbraw/zinc/48/80/82/500488082.db2.gz DMJQPIAHBAPOKO-SECBINFHSA-N -1 3 369.817 3.035 20 0 FGADHM COCCC1(C[N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)F)CC1 ZINC000420693458 500488438 /nfs/dbraw/zinc/48/84/38/500488438.db2.gz LGROBEDHPIMSEZ-UHFFFAOYSA-N -1 3 369.817 3.036 20 0 FGADHM C[C@@H](C[N-]S(=O)(=O)c1cc(F)ccc1OC(F)F)CC(F)(F)F ZINC000420698624 500489156 /nfs/dbraw/zinc/48/91/56/500489156.db2.gz LXTOMKCSJJIANB-SSDOTTSWSA-N -1 3 365.295 3.294 20 0 FGADHM C[C@H](C[N-]S(=O)(=O)c1cc(F)ccc1OC(F)F)CC(F)(F)F ZINC000420698625 500489214 /nfs/dbraw/zinc/48/92/14/500489214.db2.gz LXTOMKCSJJIANB-ZETCQYMHSA-N -1 3 365.295 3.294 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F)[C@H](O)C(C)C ZINC000420704438 500490126 /nfs/dbraw/zinc/49/01/26/500490126.db2.gz WMQISNLYKNLUNU-GXFFZTMASA-N -1 3 371.833 3.015 20 0 FGADHM CO[C@H](CC(C)C)CS(=O)(=O)[N-][C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000420733995 500492790 /nfs/dbraw/zinc/49/27/90/500492790.db2.gz VPEZNZIBLKZDDE-VHSXEESVSA-N -1 3 374.450 3.203 20 0 FGADHM Cc1cccc(F)c1S(=O)(=O)[N-][C@@H](c1ccccc1)C1(CO)CCC1 ZINC000432300491 500495668 /nfs/dbraw/zinc/49/56/68/500495668.db2.gz TYBGSIKEHNKRBZ-SFHVURJKSA-N -1 3 363.454 3.316 20 0 FGADHM CCc1sc(-c2nnc(CSc3ncc(C(=O)OC)[n-]3)o2)cc1C ZINC000432673682 500546793 /nfs/dbraw/zinc/54/67/93/500546793.db2.gz YJHBEBHIGUSPMP-UHFFFAOYSA-N -1 3 364.452 3.471 20 0 FGADHM CN(C)c1ccc(S(=O)(=O)[N-]c2cccc(OCC(F)(F)F)c2)cc1 ZINC000432757117 500558637 /nfs/dbraw/zinc/55/86/37/500558637.db2.gz IRKNBWQAWGIUFX-UHFFFAOYSA-N -1 3 374.384 3.495 20 0 FGADHM COc1cc([N-]S(=O)(=O)c2ccc(N(C)C)cc2)ccc1OC(C)C ZINC000432773746 500561733 /nfs/dbraw/zinc/56/17/33/500561733.db2.gz JPHWUFWSYQVUDN-UHFFFAOYSA-N -1 3 364.467 3.349 20 0 FGADHM Cc1cc(Oc2ccc([N-]S(=O)(=O)c3ccc(N(C)C)cc3)cc2)n[nH]1 ZINC000432777197 500562209 /nfs/dbraw/zinc/56/22/09/500562209.db2.gz UEKQHZZLVGYRTC-UHFFFAOYSA-N -1 3 372.450 3.377 20 0 FGADHM COc1ccc([O-])c(-c2nc(-c3ccc4c(c3)[C@H](SC)C(=O)N4)no2)c1 ZINC000436928758 500572309 /nfs/dbraw/zinc/57/23/09/500572309.db2.gz WYXFPAPAMBNRJH-HNNXBMFYSA-N -1 3 369.402 3.474 20 0 FGADHM Cc1noc([C@H](C)[N-]S(=O)(=O)c2ccc(Cl)c3ccccc32)n1 ZINC000447199721 500575450 /nfs/dbraw/zinc/57/54/50/500575450.db2.gz LWXGXHRIWCEXBE-VIFPVBQESA-N -1 3 351.815 3.224 20 0 FGADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)c1cc2ccccc2o1 ZINC000436946351 500576641 /nfs/dbraw/zinc/57/66/41/500576641.db2.gz PFOOMVANPJJTDU-UHFFFAOYSA-N -1 3 364.401 3.173 20 0 FGADHM CCN(CC)[C@H](CNC(=O)c1c([O-])cccc1F)c1cccc(OC)c1 ZINC000436947171 500576658 /nfs/dbraw/zinc/57/66/58/500576658.db2.gz RDDIQGQMTCAYQQ-QGZVFWFLSA-N -1 3 360.429 3.353 20 0 FGADHM C[C@@H](NC(=O)c1ccc2c(c1[O-])CCCC2)c1ccc2c(c1)NC(=O)CO2 ZINC000436948041 500576774 /nfs/dbraw/zinc/57/67/74/500576774.db2.gz GGRPNBMMTNHYIC-GFCCVEGCSA-N -1 3 366.417 3.093 20 0 FGADHM CCCCS[C@@H](C)C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436949247 500576851 /nfs/dbraw/zinc/57/68/51/500576851.db2.gz WIILHGCDSSGXIU-AWEZNQCLSA-N -1 3 364.511 3.035 20 0 FGADHM COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000436952946 500577846 /nfs/dbraw/zinc/57/78/46/500577846.db2.gz KWWXWVHOKMDNBN-IBGZPJMESA-N -1 3 365.429 3.011 20 0 FGADHM C[C@H](CNC(=O)c1cc(Oc2ccccc2)ccc1[O-])Cn1cccn1 ZINC000436953768 500578627 /nfs/dbraw/zinc/57/86/27/500578627.db2.gz SAEDBWMMZNBIDM-OAHLLOKOSA-N -1 3 351.406 3.447 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)Nc2ncc(C(C)(C)C)s2)c([O-])c1 ZINC000436961962 500580391 /nfs/dbraw/zinc/58/03/91/500580391.db2.gz NCWIKFOBQYXIBX-UHFFFAOYSA-N -1 3 361.467 3.213 20 0 FGADHM O=S(=O)([N-]c1cccc(F)c1-c1nc[nH]n1)c1ccc2c(c1)CCCC2 ZINC000447261296 500581014 /nfs/dbraw/zinc/58/10/14/500581014.db2.gz VLYNPLBIELARFU-UHFFFAOYSA-N -1 3 372.425 3.290 20 0 FGADHM Cc1ccc(C(=O)N[C@H](c2cnn(C)c2)c2ccc(F)cc2)c([O-])c1C ZINC000436968229 500581549 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[O-]c1ccccc1-c1nc(Cc2ccc(OCC(F)(F)F)nc2)no1 ZINC000446004928 501061992 /nfs/dbraw/zinc/06/19/92/501061992.db2.gz XCTYXTWNMVJXDD-UHFFFAOYSA-N -1 3 351.284 3.369 20 0 FGADHM COc1ccc(-c2ncc(C(=O)[N-]c3ccncc3F)s2)cc1OC ZINC000436042990 501062641 /nfs/dbraw/zinc/06/26/41/501062641.db2.gz IBGJFAIXLGMAHU-UHFFFAOYSA-N -1 3 359.382 3.036 20 0 FGADHM CC(C)[C@H](C(=O)Nc1cc(Cl)ccc1[O-])N1C(=O)c2ccccc2C1=O ZINC000440941960 501066597 /nfs/dbraw/zinc/06/65/97/501066597.db2.gz LZJSYMMGAQQWHL-MRXNPFEDSA-N -1 3 372.808 3.305 20 0 FGADHM CSc1ccccc1S(=O)(=O)[N-]c1cc2c(cc1F)NC(=O)CC2 ZINC000436171563 501083531 /nfs/dbraw/zinc/08/35/31/501083531.db2.gz LWGNRBSEOZQRQV-UHFFFAOYSA-N -1 3 366.439 3.233 20 0 FGADHM COC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)c1ccc(F)cc1 ZINC000436182894 501085475 /nfs/dbraw/zinc/08/54/75/501085475.db2.gz QYJSLKMAVMFJGE-AWEZNQCLSA-N -1 3 361.797 3.284 20 0 FGADHM CCOc1nc2cc(C(=O)NC[C@H](c3ccsc3)N(C)C)ccc2[n-]1 ZINC000449800762 501090823 /nfs/dbraw/zinc/09/08/23/501090823.db2.gz FKPYWISWYVXKCH-MRXNPFEDSA-N -1 3 358.467 3.056 20 0 FGADHM O=C(NCCCNC(=O)[C@H]1CCC[C@H]1c1ccccc1)c1cccc([O-])c1 ZINC000449835943 501102326 /nfs/dbraw/zinc/10/23/26/501102326.db2.gz RCVYFSMXVHLVAG-PMACEKPBSA-N -1 3 366.461 3.212 20 0 FGADHM CSc1cccc(C(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)c1 ZINC000449837701 501102782 /nfs/dbraw/zinc/10/27/82/501102782.db2.gz YZAJWFRBOBRTHC-UHFFFAOYSA-N -1 3 370.474 3.149 20 0 FGADHM O=C(CCc1ccc2ccccc2c1[O-])NCCCOC[C@H]1CCOC1 ZINC000449927676 501127843 /nfs/dbraw/zinc/12/78/43/501127843.db2.gz WUIUXXMNTSXBBS-MRXNPFEDSA-N -1 3 357.450 3.037 20 0 FGADHM CC(=O)c1[n-]c(=NCc2ccc(C)nc2-n2cc(Cl)cn2)sc1C ZINC000450472125 501129812 /nfs/dbraw/zinc/12/98/12/501129812.db2.gz DWQQZWUZGDPXHG-UHFFFAOYSA-N -1 3 361.858 3.231 20 0 FGADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N[C@@H]3CCC[C@@H]3C)cs2)c1 ZINC000436495596 501139353 /nfs/dbraw/zinc/13/93/53/501139353.db2.gz NWNIEVVLSIRQDG-SWLSCSKDSA-N -1 3 373.478 3.257 20 0 FGADHM CCS(=O)(=O)c1cccc(CNC(=O)c2ccc(C(C)C)cc2[O-])c1 ZINC000436498516 501139992 /nfs/dbraw/zinc/13/99/92/501139992.db2.gz WOBYKXYBJXIUAU-UHFFFAOYSA-N -1 3 361.463 3.239 20 0 FGADHM COCCOc1ccc([C@@H](C)NC(=O)c2cccc(C)c2[O-])cc1OC ZINC000436514372 501144923 /nfs/dbraw/zinc/14/49/23/501144923.db2.gz ONLIITZFYARWKW-CQSZACIVSA-N -1 3 359.422 3.225 20 0 FGADHM CCCc1c([N-]S(=O)(=O)N(C)CCC)cnn1-c1cccc(C)c1 ZINC000446634465 501145749 /nfs/dbraw/zinc/14/57/49/501145749.db2.gz MAJZYJMLEDLJAI-UHFFFAOYSA-N -1 3 350.488 3.132 20 0 FGADHM CC(C)c1ccc(C(=O)NCCNc2nccc(C(F)(F)F)n2)c([O-])c1 ZINC000436528168 501147759 /nfs/dbraw/zinc/14/77/59/501147759.db2.gz GOSFBBXZEHSDDB-UHFFFAOYSA-N -1 3 368.359 3.166 20 0 FGADHM C[C@@H]1CN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C[C@H]1C ZINC000436524836 501148323 /nfs/dbraw/zinc/14/83/23/501148323.db2.gz CBGDKQCXZVPVKC-QINHECLXSA-N -1 3 366.461 3.368 20 0 FGADHM CC1(C)Cc2ccc(C(=O)Nc3ccc(Cl)c(C(N)=O)c3)c([O-])c2O1 ZINC000436533514 501150160 /nfs/dbraw/zinc/15/01/60/501150160.db2.gz ZRVJCSALICSXES-UHFFFAOYSA-N -1 3 360.797 3.110 20 0 FGADHM CCCC[C@@H]1CCC[C@H]1NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436533378 501150377 /nfs/dbraw/zinc/15/03/77/501150377.db2.gz HYCOZOMIZCZQIE-SJLPKXTDSA-N -1 3 373.497 3.219 20 0 FGADHM CCOC(=O)c1csc(=NCCc2ccc(OC)c(OC)c2Cl)[n-]1 ZINC000450545581 501150732 /nfs/dbraw/zinc/15/07/32/501150732.db2.gz YWQPEPNRNCTRHC-UHFFFAOYSA-N -1 3 370.858 3.067 20 0 FGADHM CC(C)c1ccc(C(=O)N[C@H](Cc2ccccc2)C(=O)NC2CC2)c([O-])c1 ZINC000436538931 501150835 /nfs/dbraw/zinc/15/08/35/501150835.db2.gz UQGICFWEFSGNOY-LJQANCHMSA-N -1 3 366.461 3.135 20 0 FGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)c2ccc(C(C)(F)F)nc2)c1 ZINC000450003996 501151917 /nfs/dbraw/zinc/15/19/17/501151917.db2.gz OYFLLUAVZIUFSO-UHFFFAOYSA-N -1 3 369.393 3.126 20 0 FGADHM Cc1cccc(N2CCC(NC(=O)c3cc4c(cc3[O-])CCCC4)CC2)n1 ZINC000436547411 501153328 /nfs/dbraw/zinc/15/33/28/501153328.db2.gz XJUCEKKBDRDPDM-UHFFFAOYSA-N -1 3 365.477 3.373 20 0 FGADHM O=C(c1ccccc1[O-])N1CCC[C@H]1C(=O)N1CCc2cc(Cl)ccc21 ZINC000436554906 501156012 /nfs/dbraw/zinc/15/60/12/501156012.db2.gz KNILCPYEBJTVKE-KRWDZBQOSA-N -1 3 370.836 3.240 20 0 FGADHM CS(=O)(=O)c1csc(C(=O)[N-]c2cc(Cl)cc(F)c2F)c1 ZINC000441576235 501156092 /nfs/dbraw/zinc/15/60/92/501156092.db2.gz QDDNPBVEBZXCQU-UHFFFAOYSA-N -1 3 351.783 3.336 20 0 FGADHM CCc1nc2ccccc2n1Cc1noc(-c2cc(OC)ccc2[O-])n1 ZINC000436577078 501161156 /nfs/dbraw/zinc/16/11/56/501161156.db2.gz RBIOVZXDNUSEAL-UHFFFAOYSA-N -1 3 350.378 3.411 20 0 FGADHM CC(=O)c1ccc(C(=O)NCCNc2ncc(Cl)cc2Cl)cc1[O-] ZINC000436579973 501161259 /nfs/dbraw/zinc/16/12/59/501161259.db2.gz WDOXESPRYUIEOV-UHFFFAOYSA-N -1 3 368.220 3.139 20 0 FGADHM COc1ccc(C(=O)N[C@H](C)c2nc(-c3ccc(C)c(F)c3)no2)c([O-])c1 ZINC000436579533 501161264 /nfs/dbraw/zinc/16/12/64/501161264.db2.gz XMMNUORPCOSLGM-LLVKDONJSA-N -1 3 371.368 3.389 20 0 FGADHM CC(C)OC(=O)[C@H](C)N(C)C(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436587696 501164126 /nfs/dbraw/zinc/16/41/26/501164126.db2.gz QDMNAZGIXQTPHW-HNNXBMFYSA-N -1 3 371.433 3.383 20 0 FGADHM C[C@@H]1CN(CCCCNC(=O)c2cc3ccccc3cc2[O-])C[C@H](C)O1 ZINC000436589400 501164869 /nfs/dbraw/zinc/16/48/69/501164869.db2.gz PFXGMCFSDKVUFP-IYBDPMFKSA-N -1 3 356.466 3.165 20 0 FGADHM CN(C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1[O-])c1ccccc1 ZINC000436592735 501164921 /nfs/dbraw/zinc/16/49/21/501164921.db2.gz YHLGBKBHJGUJHK-FQEVSTJZSA-N -1 3 374.440 3.396 20 0 FGADHM Cc1ccc(NS(C)(=O)=O)c(NC(=O)c2ccc(C(C)C)cc2[O-])c1 ZINC000436592916 501165138 /nfs/dbraw/zinc/16/51/38/501165138.db2.gz ZKXIXEAGNSQDCF-UHFFFAOYSA-N -1 3 362.451 3.448 20 0 FGADHM CC(C)n1cc2c(n1)C[C@H](NC(=O)c1cc3c(cc1[O-])CCCC3)CC2 ZINC000436594186 501165733 /nfs/dbraw/zinc/16/57/33/501165733.db2.gz DNVLJIQABYJZHF-QGZVFWFLSA-N -1 3 353.466 3.336 20 0 FGADHM COC(=O)Cc1cccc(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)c1 ZINC000436597690 501166822 /nfs/dbraw/zinc/16/68/22/501166822.db2.gz QUWDZAPRHGMISG-UHFFFAOYSA-N -1 3 355.390 3.074 20 0 FGADHM [O-]c1ccc(-c2noc(-c3cc(Cn4cccn4)on3)n2)c2ccccc12 ZINC000436613527 501170123 /nfs/dbraw/zinc/17/01/23/501170123.db2.gz QVVIMHOODZIBDE-UHFFFAOYSA-N -1 3 359.345 3.495 20 0 FGADHM C[C@@H](CNC(=O)c1cc(CCc2ccccc2)ccc1[O-])Cn1cccn1 ZINC000436623459 501171993 /nfs/dbraw/zinc/17/19/93/501171993.db2.gz ZLBYFDALBNEXOZ-KRWDZBQOSA-N -1 3 363.461 3.440 20 0 FGADHM Cc1cc(-c2noc([C@H](C)NC(=O)c3ccc(O)cc3[O-])n2)ccc1F ZINC000436621616 501172310 /nfs/dbraw/zinc/17/23/10/501172310.db2.gz BTZOKHWJDALHAA-JTQLQIEISA-N -1 3 357.341 3.086 20 0 FGADHM COc1cc(C(=O)N(Cc2ccccc2OC)C[C@H]2CCCO2)ccc1[O-] ZINC000436632537 501173667 /nfs/dbraw/zinc/17/36/67/501173667.db2.gz BOOQIKZBQKZUOH-QGZVFWFLSA-N -1 3 371.433 3.231 20 0 FGADHM CCOc1cc2c(cc1CNC(=O)c1ccc([O-])c(OC)c1)O[C@@H](C)C2 ZINC000436636011 501174532 /nfs/dbraw/zinc/17/45/32/501174532.db2.gz PBVZXYFPDVGRHG-LBPRGKRZSA-N -1 3 357.406 3.053 20 0 FGADHM O=C(c1c([O-])cccc1O)N1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000436647101 501178114 /nfs/dbraw/zinc/17/81/14/501178114.db2.gz KFUSZNKUBHSMDX-LLVKDONJSA-N -1 3 356.353 3.398 20 0 FGADHM CC[C@@H](NC(=O)c1ccc(C)cc1[O-])[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000436651246 501180018 /nfs/dbraw/zinc/18/00/18/501180018.db2.gz UQYHNEHWYFEHFR-UYAOXDASSA-N -1 3 364.449 3.399 20 0 FGADHM C[C@H]1COCC[C@H]1CNC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436666611 501182041 /nfs/dbraw/zinc/18/20/41/501182041.db2.gz UQQXORPCYORXFE-RDJZCZTQSA-N -1 3 355.434 3.374 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N(C)C[C@@H](C)c2ccccc2)c([O-])c1 ZINC000436663941 501182237 /nfs/dbraw/zinc/18/22/37/501182237.db2.gz KCNGQVZSORUMQN-MRXNPFEDSA-N -1 3 354.450 3.083 20 0 FGADHM CCOc1cccc([C@H](C)NC(=O)CCNC(=O)c2ccc(C)cc2[O-])c1 ZINC000436664928 501182469 /nfs/dbraw/zinc/18/24/69/501182469.db2.gz LGFUSZKYENYMNR-HNNXBMFYSA-N -1 3 370.449 3.097 20 0 FGADHM CCOc1nc2cc(C(=O)N(C)[C@H](C)Cc3ccc(O)cc3)ccc2[n-]1 ZINC000450107130 501182571 /nfs/dbraw/zinc/18/25/71/501182571.db2.gz WBUWXHCDWPCFPO-CYBMUJFWSA-N -1 3 353.422 3.370 20 0 FGADHM CC[C@H](NC(=O)CCNC(=O)c1ccc(C)cc1[O-])c1ccc(OC)cc1 ZINC000436664884 501182703 /nfs/dbraw/zinc/18/27/03/501182703.db2.gz MIIDFLXRPNJPAZ-SFHVURJKSA-N -1 3 370.449 3.097 20 0 FGADHM CC(C)C[C@@H](C(=O)NCCNC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436678101 501186281 /nfs/dbraw/zinc/18/62/81/501186281.db2.gz BAHCUKGVGDTNBZ-LJQANCHMSA-N -1 3 354.450 3.068 20 0 FGADHM CC(=O)c1ccc(C(=O)NCCN2CCC3(CCCCC3)CC2)cc1[O-] ZINC000436681697 501186995 /nfs/dbraw/zinc/18/69/95/501186995.db2.gz NXYAWGHKKAGZHL-UHFFFAOYSA-N -1 3 358.482 3.371 20 0 FGADHM CCCc1nc(C)c(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])s1 ZINC000436679791 501187056 /nfs/dbraw/zinc/18/70/56/501187056.db2.gz LYPMENVUEBAZBG-CQSZACIVSA-N -1 3 373.478 3.353 20 0 FGADHM CCOc1ccc(CNC(=O)c2cc(NC(C)=O)ccc2[O-])cc1Cl ZINC000436688325 501188641 /nfs/dbraw/zinc/18/86/41/501188641.db2.gz BICKXTLQZYEGLV-UHFFFAOYSA-N -1 3 362.813 3.333 20 0 FGADHM Cc1nc(NC(=O)c2cnn[n-]2)sc1Cc1ccc(Cl)cc1F ZINC000446973968 501189046 /nfs/dbraw/zinc/18/90/46/501189046.db2.gz GTQZLKMLZVJYJW-UHFFFAOYSA-N -1 3 351.794 3.205 20 0 FGADHM Cc1nc(NC(=O)c2c[n-]nn2)sc1Cc1ccc(Cl)cc1F ZINC000446973968 501189049 /nfs/dbraw/zinc/18/90/49/501189049.db2.gz GTQZLKMLZVJYJW-UHFFFAOYSA-N -1 3 351.794 3.205 20 0 FGADHM Cc1nc(NC(=O)c2cn[n-]n2)sc1Cc1ccc(Cl)cc1F ZINC000446973968 501189052 /nfs/dbraw/zinc/18/90/52/501189052.db2.gz GTQZLKMLZVJYJW-UHFFFAOYSA-N -1 3 351.794 3.205 20 0 FGADHM Cc1nnc([C@H](C)NC(=O)c2cc(CCc3ccccc3)ccc2[O-])[nH]1 ZINC000436698622 501190595 /nfs/dbraw/zinc/19/05/95/501190595.db2.gz QUKBGBQRGYZICZ-ZDUSSCGKSA-N -1 3 350.422 3.095 20 0 FGADHM Cc1nnc([C@@H](C)NC(=O)c2cc(CCc3ccccc3)ccc2[O-])[nH]1 ZINC000436698621 501190880 /nfs/dbraw/zinc/19/08/80/501190880.db2.gz QUKBGBQRGYZICZ-CYBMUJFWSA-N -1 3 350.422 3.095 20 0 FGADHM CN(Cc1ccccc1)C1(CN=c2[n-]nc(C3CCOCC3)s2)CCC1 ZINC000450708324 501191122 /nfs/dbraw/zinc/19/11/22/501191122.db2.gz CMLJRVUJOSOJNK-UHFFFAOYSA-N -1 3 372.538 3.321 20 0 FGADHM C[C@@H](C(=O)NC(C)(C)C)N(C)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436706181 501193003 /nfs/dbraw/zinc/19/30/03/501193003.db2.gz LQYQHLFIDITIGI-HNNXBMFYSA-N -1 3 368.477 3.358 20 0 FGADHM COC[C@H](CN=c1[n-]c(C(=O)OC)c(C)s1)c1ccc(Cl)cc1 ZINC000450720327 501193469 /nfs/dbraw/zinc/19/34/69/501193469.db2.gz SSPWNMUWYILGAO-LBPRGKRZSA-N -1 3 354.859 3.156 20 0 FGADHM O=C(NCc1cc(F)c(F)cc1Br)c1c([O-])cccc1O ZINC000436720883 501196570 /nfs/dbraw/zinc/19/65/70/501196570.db2.gz FZEVNZIRIWGBJI-UHFFFAOYSA-N -1 3 358.138 3.069 20 0 FGADHM COc1cccc(N2CC[C@H](CNC(=O)c3ccc(C)c(C)c3[O-])C2)c1 ZINC000436720059 501196586 /nfs/dbraw/zinc/19/65/86/501196586.db2.gz FBTZWOFGNOBNQG-MRXNPFEDSA-N -1 3 354.450 3.274 20 0 FGADHM C[C@@H](NCC[N-]S(=O)(=O)c1ccc(F)cc1F)c1cccc(Cl)c1 ZINC000442120767 501198874 /nfs/dbraw/zinc/19/88/74/501198874.db2.gz HPGTWBMJVYXQPB-LLVKDONJSA-N -1 3 374.840 3.247 20 0 FGADHM Cn1cc(CCCNC(=O)c2cc(CCc3ccccc3)ccc2[O-])cn1 ZINC000436732946 501200058 /nfs/dbraw/zinc/20/00/58/501200058.db2.gz VJVUTBHZBICQDH-UHFFFAOYSA-N -1 3 363.461 3.274 20 0 FGADHM CCN(CCc1cccs1)C(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436743423 501202511 /nfs/dbraw/zinc/20/25/11/501202511.db2.gz ZXUKHMAVGISOJQ-KRWDZBQOSA-N -1 3 372.490 3.150 20 0 FGADHM CCC[C@H](C)[C@@H]1CCCN1C(=O)C(=O)[N-]c1sccc1C(=O)OCC ZINC000442168435 501203964 /nfs/dbraw/zinc/20/39/64/501203964.db2.gz QJKCXUGUCXZYFL-JSGCOSHPSA-N -1 3 366.483 3.291 20 0 FGADHM COCCN(Cc1cccs1)C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436753568 501204837 /nfs/dbraw/zinc/20/48/37/501204837.db2.gz FGYJROPSDRCEDB-UHFFFAOYSA-N -1 3 361.463 3.456 20 0 FGADHM COCCOc1cc(C(=O)Nc2ccc([O-])cc2F)nc2ccccc21 ZINC000436753048 501205062 /nfs/dbraw/zinc/20/50/62/501205062.db2.gz ZSJMGILWZXMCDB-UHFFFAOYSA-N -1 3 356.353 3.357 20 0 FGADHM CC1(C)Cc2ccc(C(=O)Nc3ccc(C(=O)NC4CC4)cc3)c([O-])c2O1 ZINC000436758093 501206102 /nfs/dbraw/zinc/20/61/02/501206102.db2.gz XPOVBLYVIZDMCN-UHFFFAOYSA-N -1 3 366.417 3.250 20 0 FGADHM CCc1nn(C)cc1CNC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436764188 501208000 /nfs/dbraw/zinc/20/80/00/501208000.db2.gz JXDJFERXWPJBPJ-UHFFFAOYSA-N -1 3 351.406 3.410 20 0 FGADHM C[C@H](CNC(=O)c1cc(Br)cc(Cl)c1[O-])N(C)C1CC1 ZINC000436768424 501208660 /nfs/dbraw/zinc/20/86/60/501208660.db2.gz IPCFTRJCKGUSLO-MRVPVSSYSA-N -1 3 361.667 3.021 20 0 FGADHM Cc1cccc(N2CCN(C(=O)c3ccc4c(c3[O-])OC(C)(C)C4)CC2)c1 ZINC000436775963 501209389 /nfs/dbraw/zinc/20/93/89/501209389.db2.gz HBGNZIPFXGLLLU-UHFFFAOYSA-N -1 3 366.461 3.377 20 0 FGADHM COCCOc1ccc(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)cc1 ZINC000436775827 501209457 /nfs/dbraw/zinc/20/94/57/501209457.db2.gz GFPDOIVAPFWWSA-UHFFFAOYSA-N -1 3 357.406 3.383 20 0 FGADHM CCc1ccc(C(=O)N[C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)c([O-])c1 ZINC000436772740 501209616 /nfs/dbraw/zinc/20/96/16/501209616.db2.gz LXEAOQVJHPEYMQ-CYBMUJFWSA-N -1 3 372.387 3.018 20 0 FGADHM C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc(Cl)cc(Br)c1[O-] ZINC000436776092 501209643 /nfs/dbraw/zinc/20/96/43/501209643.db2.gz ZFTVFIYZNZLQGG-OQPBUACISA-N -1 3 373.678 3.021 20 0 FGADHM O=C(Nc1ccccc1Cl)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436777560 501210004 /nfs/dbraw/zinc/21/00/04/501210004.db2.gz YYEODMKLRSVMRG-UHFFFAOYSA-N -1 3 373.840 3.472 20 0 FGADHM O=C(Cc1cccc2ccccc21)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436780471 501210168 /nfs/dbraw/zinc/21/01/68/501210168.db2.gz OVCGPHCUIONHAW-UHFFFAOYSA-N -1 3 374.440 3.073 20 0 FGADHM COc1cc(-c2noc(-c3ccc(NC(=O)C4CC4)cc3)n2)ccc1[O-] ZINC000436785636 501211299 /nfs/dbraw/zinc/21/12/99/501211299.db2.gz PNZNWPMZBCUYKP-UHFFFAOYSA-N -1 3 351.362 3.466 20 0 FGADHM COc1ccc(CC[C@@H](C)NC(=O)c2cc(NC(C)=O)ccc2[O-])cc1 ZINC000436787147 501211339 /nfs/dbraw/zinc/21/13/39/501211339.db2.gz MRQZHSMGKDZCDT-CYBMUJFWSA-N -1 3 356.422 3.110 20 0 FGADHM CCCOc1cc(C)ccc1CNC(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000436811512 501214677 /nfs/dbraw/zinc/21/46/77/501214677.db2.gz VCWLVTLVSMPCBK-UHFFFAOYSA-N -1 3 359.422 3.437 20 0 FGADHM Cc1ccc(NC(=O)c2cc3c(cc2[O-])CCCC3)cc1N1CCNC1=O ZINC000436819107 501216574 /nfs/dbraw/zinc/21/65/74/501216574.db2.gz CGDDNZXJNCJIKN-UHFFFAOYSA-N -1 3 365.433 3.361 20 0 FGADHM CN(C)[C@@H](CNC(=O)c1c([O-])cccc1O)c1cccc(C(F)(F)F)c1 ZINC000436831270 501218036 /nfs/dbraw/zinc/21/80/36/501218036.db2.gz SGKVMHTWBDAJFC-ZDUSSCGKSA-N -1 3 368.355 3.149 20 0 FGADHM CCOC(=O)c1sc([C@H](C)NC(=O)c2ccc(CC)cc2[O-])nc1C ZINC000436833684 501218663 /nfs/dbraw/zinc/21/86/63/501218663.db2.gz WWJBUTWJHHHQOW-NSHDSACASA-N -1 3 362.451 3.387 20 0 FGADHM CN(Cc1ccc(OCC(F)(F)F)cc1)C(=O)c1ccc(O)cc1[O-] ZINC000436831764 501218692 /nfs/dbraw/zinc/21/86/92/501218692.db2.gz SXPXFZLUPCINCF-UHFFFAOYSA-N -1 3 355.312 3.311 20 0 FGADHM CCOC(=O)[C@H](NC(=O)c1cccc(OC)c1[O-])c1cccc(C)c1C ZINC000436867897 501224655 /nfs/dbraw/zinc/22/46/55/501224655.db2.gz FSKUGEUYLFTLDK-QGZVFWFLSA-N -1 3 357.406 3.052 20 0 FGADHM COc1ccc(C(=O)NC[C@]2(Cc3ccc(F)cc3)CCC[C@H]2O)c([O-])c1 ZINC000436876194 501225508 /nfs/dbraw/zinc/22/55/08/501225508.db2.gz GXELHLXROIJWFP-TZIWHRDSSA-N -1 3 373.424 3.044 20 0 FGADHM O=c1[n-]nc([C@H]2CCCN(CCCc3ccccc3Br)C2)o1 ZINC000450895548 501225638 /nfs/dbraw/zinc/22/56/38/501225638.db2.gz JTZJEWGPRXZPAM-ZDUSSCGKSA-N -1 3 366.259 3.350 20 0 FGADHM COC(=O)[C@@H](NC(=O)c1ccc(C)cc1[O-])c1ccc(OC)c(Cl)c1 ZINC000436879747 501226078 /nfs/dbraw/zinc/22/60/78/501226078.db2.gz NTEBXYYPZZGTMO-INIZCTEOSA-N -1 3 363.797 3.007 20 0 FGADHM COC(=O)[C@H](NC(=O)c1cccc(C)c1[O-])c1ccc(OC)c(Cl)c1 ZINC000436878945 501226180 /nfs/dbraw/zinc/22/61/80/501226180.db2.gz LESLWQNYQAXYJJ-OAHLLOKOSA-N -1 3 363.797 3.007 20 0 FGADHM CCc1ccc(C(=O)N[C@@H](Cc2nc(C)no2)c2ccccc2)c([O-])c1 ZINC000436882748 501226561 /nfs/dbraw/zinc/22/65/61/501226561.db2.gz VPGRFRXONWEAIY-KRWDZBQOSA-N -1 3 351.406 3.360 20 0 FGADHM O=C(N[C@@H](CO)c1ccccc1)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436888355 501227766 /nfs/dbraw/zinc/22/77/66/501227766.db2.gz UAHSLSWXPWIPEP-FQEVSTJZSA-N -1 3 363.413 3.435 20 0 FGADHM CNS(=O)(=O)c1cccc(-c2noc(-c3ccc(C(C)C)cc3[O-])n2)c1 ZINC000436900026 501229692 /nfs/dbraw/zinc/22/96/92/501229692.db2.gz AUDHZQXUBPVWLG-UHFFFAOYSA-N -1 3 373.434 3.141 20 0 FGADHM O=C(Nc1cc(F)cc(N2CCOCC2)c1)c1cc2c(cc1[O-])CCCC2 ZINC000436903238 501229974 /nfs/dbraw/zinc/22/99/74/501229974.db2.gz SNPAWHAUMANWHE-UHFFFAOYSA-N -1 3 370.424 3.499 20 0 FGADHM COc1ccc(C(=O)N[C@@H](C)c2ccc(Br)cn2)c([O-])c1 ZINC000436906812 501230851 /nfs/dbraw/zinc/23/08/51/501230851.db2.gz WUMLLYDAVSXGBB-VIFPVBQESA-N -1 3 351.200 3.049 20 0 FGADHM O=C(NCc1noc(C2CC2)n1)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436912399 501231215 /nfs/dbraw/zinc/23/12/15/501231215.db2.gz CSEBREJIOWLWLB-UHFFFAOYSA-N -1 3 365.389 3.162 20 0 FGADHM COc1cccc(CNC(=O)c2ccc(O)cc2[O-])c1OC1CCCC1 ZINC000436913409 501232314 /nfs/dbraw/zinc/23/23/14/501232314.db2.gz GBEBUJPDGDKKKD-UHFFFAOYSA-N -1 3 357.406 3.358 20 0 FGADHM Cc1ccc([N-]S(=O)(=O)c2sccc2Cl)c(OCCN(C)C)c1 ZINC000450966186 501235688 /nfs/dbraw/zinc/23/56/88/501235688.db2.gz GVJZDGSKEDIUJI-UHFFFAOYSA-N -1 3 374.915 3.451 20 0 FGADHM CCOc1ccncc1S(=O)(=O)[N-]CCc1ccccc1C(F)(F)F ZINC000451105771 501246147 /nfs/dbraw/zinc/24/61/47/501246147.db2.gz NJEMXCUPBYMMKZ-UHFFFAOYSA-N -1 3 374.384 3.020 20 0 FGADHM CCOc1ccncc1S(=O)(=O)[N-][C@@H]1CC(C)(C)Oc2ccccc21 ZINC000451310400 501262013 /nfs/dbraw/zinc/26/20/13/501262013.db2.gz HEELPJZORULMTD-CQSZACIVSA-N -1 3 362.451 3.061 20 0 FGADHM Cc1csc(S(=O)(=O)[N-]CCOc2ncc(Cl)cc2Cl)c1 ZINC000451315822 501263035 /nfs/dbraw/zinc/26/30/35/501263035.db2.gz RTBUTHIWCTUHMH-UHFFFAOYSA-N -1 3 367.279 3.116 20 0 FGADHM O=S(=O)(Cc1c(F)cccc1Cl)[N-]Cc1ccn(C2CCCC2)n1 ZINC000451332891 501268194 /nfs/dbraw/zinc/26/81/94/501268194.db2.gz XFWJVQWMPLDQLO-UHFFFAOYSA-N -1 3 371.865 3.410 20 0 FGADHM COC(=O)[C@@H](C)N(C(=O)CCc1ccc2ccccc2c1[O-])C1CCC1 ZINC000451337800 501269514 /nfs/dbraw/zinc/26/95/14/501269514.db2.gz GZUSASZKBKTQDS-CQSZACIVSA-N -1 3 355.434 3.421 20 0 FGADHM COc1ccccc1OC[C@H](C)C[N-]S(=O)(=O)c1cc(C)cs1 ZINC000451355524 501273883 /nfs/dbraw/zinc/27/38/83/501273883.db2.gz BMCLBQSVQGTENG-CYBMUJFWSA-N -1 3 355.481 3.059 20 0 FGADHM CCCCS(=O)(=O)[N-]Cc1nc(Cc2cc3ccccc3s2)no1 ZINC000453214443 501292513 /nfs/dbraw/zinc/29/25/13/501292513.db2.gz JUTVBCZELFVQEL-UHFFFAOYSA-N -1 3 365.480 3.095 20 0 FGADHM O=S(=O)(C[C@@H]1CCCC1(F)F)[N-][C@H]1COc2cccc(Cl)c21 ZINC000451560572 501324662 /nfs/dbraw/zinc/32/46/62/501324662.db2.gz WLNFIWSFADYDNP-ONGXEEELSA-N -1 3 351.802 3.128 20 0 FGADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]CC2=CCCCC2)cc1Cl ZINC000451637621 501341480 /nfs/dbraw/zinc/34/14/80/501341480.db2.gz DUMWCGYVNGOHGG-UHFFFAOYSA-N -1 3 360.838 3.216 20 0 FGADHM CC[C@@H](COCC(F)(F)F)[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000451655912 501345545 /nfs/dbraw/zinc/34/55/45/501345545.db2.gz RJCCACLXRLMPBP-VIFPVBQESA-N -1 3 363.760 3.115 20 0 FGADHM O=S(=O)([N-]CC1=CCOCC1)c1cc(Cl)ccc1OCCC1CC1 ZINC000451683986 501350062 /nfs/dbraw/zinc/35/00/62/501350062.db2.gz UFOASNCXCPZCRB-UHFFFAOYSA-N -1 3 371.886 3.144 20 0 FGADHM CC1(C)OCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000451696577 501353094 /nfs/dbraw/zinc/35/30/94/501353094.db2.gz GOHOLQXYRVMZBL-LLVKDONJSA-N -1 3 357.781 3.205 20 0 FGADHM Cc1ncsc1CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000451791917 501372978 /nfs/dbraw/zinc/37/29/78/501372978.db2.gz ZXPDAWHTZIFDBY-UHFFFAOYSA-N -1 3 351.280 3.279 20 0 FGADHM COc1cc(Cl)c(S(=O)(=O)[N-]C[C@@H]2CCCC2(F)F)cc1OC ZINC000451826325 501380977 /nfs/dbraw/zinc/38/09/77/501380977.db2.gz SCZYBKLBIXNAMC-VIFPVBQESA-N -1 3 369.817 3.071 20 0 FGADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]C(C)(C)C2CCC2)cc1Cl ZINC000451869792 501389701 /nfs/dbraw/zinc/38/97/01/501389701.db2.gz OJVPRQNMWGSEOP-UHFFFAOYSA-N -1 3 362.854 3.295 20 0 FGADHM Cc1cc(NC(=O)Nc2ccc([O-])c(COC(C)C)c2)cc(C(N)=O)c1 ZINC000455850786 501399923 /nfs/dbraw/zinc/39/99/23/501399923.db2.gz YVBVWWZLWODROW-UHFFFAOYSA-N -1 3 357.410 3.369 20 0 FGADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)N1Cc2ccc(Cl)cc2C1 ZINC000458256128 501404996 /nfs/dbraw/zinc/40/49/96/501404996.db2.gz QZQKMPJZUBKOSN-UHFFFAOYSA-N -1 3 368.824 3.361 20 0 FGADHM CCCc1ncc(C[N-]S(=O)(=O)c2ccc(Br)cc2C)o1 ZINC000451958797 501408386 /nfs/dbraw/zinc/40/83/86/501408386.db2.gz MFOVAMSSBUCJOW-UHFFFAOYSA-N -1 3 373.272 3.177 20 0 FGADHM CCCc1ncc(C[N-]S(=O)(=O)c2cccc3c(Cl)ccnc32)o1 ZINC000451963425 501409494 /nfs/dbraw/zinc/40/94/94/501409494.db2.gz ZIYMQHSYFAEBAV-UHFFFAOYSA-N -1 3 365.842 3.307 20 0 FGADHM CCCc1ncc(C[N-]S(=O)(=O)c2ccc(CC(F)(F)F)cc2)o1 ZINC000451963059 501409847 /nfs/dbraw/zinc/40/98/47/501409847.db2.gz YIIVBKZPAWJGBP-UHFFFAOYSA-N -1 3 362.373 3.210 20 0 FGADHM Cc1nc(C)c(S(=O)(=O)[N-][C@H]2CCc3cc(F)c(F)c(F)c32)s1 ZINC000451968248 501410383 /nfs/dbraw/zinc/41/03/83/501410383.db2.gz OXBFTQOXKJGSGZ-JTQLQIEISA-N -1 3 362.398 3.143 20 0 FGADHM COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)[N-][C@H](C)C1CCCC1 ZINC000452031076 501420609 /nfs/dbraw/zinc/42/06/09/501420609.db2.gz QOHYJUINFMKQSX-SNVBAGLBSA-N -1 3 374.890 3.164 20 0 FGADHM CSc1ccc([C@H](CNC(=O)Cc2ccc([O-])c(F)c2)N(C)C)cc1 ZINC000452163980 501449345 /nfs/dbraw/zinc/44/93/45/501449345.db2.gz CUCXKWPTWMLIEH-KRWDZBQOSA-N -1 3 362.470 3.215 20 0 FGADHM CC1(C)Cc2ccc(C(=O)N3CCCC[C@@H]3[C@@H]3CCC[C@H]3O)c([O-])c2O1 ZINC000456097011 501453866 /nfs/dbraw/zinc/45/38/66/501453866.db2.gz IMRVQSRKGMIBGZ-USXIJHARSA-N -1 3 359.466 3.261 20 0 FGADHM CCOC(=O)c1ccsc1[N-]C(=O)C(=O)N(C)Cc1ccc(C)c(C)c1 ZINC000454076113 501455180 /nfs/dbraw/zinc/45/51/80/501455180.db2.gz MDAQEEPUIIRNBO-UHFFFAOYSA-N -1 3 374.462 3.139 20 0 FGADHM CC1(F)CC(NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000452272890 501470010 /nfs/dbraw/zinc/47/00/10/501470010.db2.gz BBIQLFLFPGMBRU-JGCRXCKMSA-N -1 3 370.424 3.260 20 0 FGADHM CN(C(=O)NCc1nnc(C(F)(F)F)[n-]1)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000458669249 501503357 /nfs/dbraw/zinc/50/33/57/501503357.db2.gz WKLMDYXEMIIKCT-OLZOCXBDSA-N -1 3 367.375 3.301 20 0 FGADHM CN(C(=O)NCc1n[n-]c(C(F)(F)F)n1)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000458669249 501503359 /nfs/dbraw/zinc/50/33/59/501503359.db2.gz WKLMDYXEMIIKCT-OLZOCXBDSA-N -1 3 367.375 3.301 20 0 FGADHM CN(C(=O)NCc1nc(C(F)(F)F)n[n-]1)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000458669249 501503361 /nfs/dbraw/zinc/50/33/61/501503361.db2.gz WKLMDYXEMIIKCT-OLZOCXBDSA-N -1 3 367.375 3.301 20 0 FGADHM CC(C)[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])[C@H]1C(C)C ZINC000456360948 501508851 /nfs/dbraw/zinc/50/88/51/501508851.db2.gz ZIYRWCHLRLEGAN-LNLFQRSKSA-N -1 3 358.482 3.136 20 0 FGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)NC(C)(C)C2CCC2)cc1OC ZINC000454337630 501517660 /nfs/dbraw/zinc/51/76/60/501517660.db2.gz ZROKQIVAVMKHBF-UHFFFAOYSA-N -1 3 369.487 3.157 20 0 FGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@H](C)CC(C)(C)C)cc1OC ZINC000454372701 501526208 /nfs/dbraw/zinc/52/62/08/501526208.db2.gz ZZHDOJCDDBHVRH-GFCCVEGCSA-N -1 3 371.503 3.403 20 0 FGADHM CC[C@@H](C)N1CCN(C(=O)c2ccc(C(=O)c3cccc([O-])c3)cc2)CC1 ZINC000456532257 501543268 /nfs/dbraw/zinc/54/32/68/501543268.db2.gz PEGSRNGBDOFVSK-MRXNPFEDSA-N -1 3 366.461 3.180 20 0 FGADHM CO[C@@H]1C[C@H](N(C)C(=O)Cc2ccc(Br)cc2[O-])C12CCC2 ZINC000456556009 501547335 /nfs/dbraw/zinc/54/73/35/501547335.db2.gz DXSPKYBETZMGIO-LSDHHAIUSA-N -1 3 368.271 3.113 20 0 FGADHM COC(=O)[C@H]1CN(C(=O)c2ccc(C)c(C)c2[O-])C[C@H]1c1ccccc1 ZINC000456948145 501624515 /nfs/dbraw/zinc/62/45/15/501624515.db2.gz MNXMTIXKFVZAIM-ROUUACIJSA-N -1 3 353.418 3.038 20 0 FGADHM CCCCNC(=O)C1CCN(Cc2cccc([O-])c2Br)CC1 ZINC000459298807 501627052 /nfs/dbraw/zinc/62/70/52/501627052.db2.gz KQHFQKNKTXGJQH-UHFFFAOYSA-N -1 3 369.303 3.283 20 0 FGADHM CC(C)[C@]1(C)C[C@H]1NC(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000459304426 501627868 /nfs/dbraw/zinc/62/78/68/501627868.db2.gz SUEHVUAMNCLMBM-XLIONFOSSA-N -1 3 359.470 3.187 20 0 FGADHM CCOc1cc(CN2CCN(Cc3cscn3)CC2)cc(Cl)c1[O-] ZINC000459322946 501630527 /nfs/dbraw/zinc/63/05/27/501630527.db2.gz IWMHCUIYOOXUQA-UHFFFAOYSA-N -1 3 367.902 3.219 20 0 FGADHM CCOc1cc(CN2CCC[C@@H]2[C@H](O)C(F)(F)F)cc(Cl)c1[O-] ZINC000459337641 501634324 /nfs/dbraw/zinc/63/43/24/501634324.db2.gz RDBAVPVYLQXUGL-RISCZKNCSA-N -1 3 353.768 3.332 20 0 FGADHM CCOc1cc(CN2CCC[C@](O)(C(F)(F)F)C2)cc(Cl)c1[O-] ZINC000459340342 501634782 /nfs/dbraw/zinc/63/47/82/501634782.db2.gz IPEPRDHYVNATFE-CQSZACIVSA-N -1 3 353.768 3.334 20 0 FGADHM CCOc1cc(CN2CCC[C@@](O)(C(F)(F)F)C2)cc(Cl)c1[O-] ZINC000459340341 501634926 /nfs/dbraw/zinc/63/49/26/501634926.db2.gz IPEPRDHYVNATFE-AWEZNQCLSA-N -1 3 353.768 3.334 20 0 FGADHM O=c1cc(CN2CCN(c3cccs3)CC2)nc(-c2ccccc2)[n-]1 ZINC000459364223 501639871 /nfs/dbraw/zinc/63/98/71/501639871.db2.gz LLKTUKLWHGJEPH-UHFFFAOYSA-N -1 3 352.463 3.233 20 0 FGADHM CCOc1cc(CN2CCC[C@H]2CC(=O)OC)cc(Br)c1[O-] ZINC000459371293 501641481 /nfs/dbraw/zinc/64/14/81/501641481.db2.gz JAVZSIKQIKYSAL-LBPRGKRZSA-N -1 3 372.259 3.081 20 0 FGADHM CC[C@@H]1CN(Cc2cccc([O-])c2Br)[C@@H](CC)CN1C(C)=O ZINC000459373592 501641994 /nfs/dbraw/zinc/64/19/94/501641994.db2.gz KWHAXFIOJLGVQA-LSDHHAIUSA-N -1 3 369.303 3.376 20 0 FGADHM CN(CCCNCc1cccc([O-])c1Br)CC(F)(F)F ZINC000459384206 501643673 /nfs/dbraw/zinc/64/36/73/501643673.db2.gz YUDOFCZJYDUUBQ-UHFFFAOYSA-N -1 3 355.198 3.129 20 0 FGADHM CCc1ccc(C(=O)N(C)C2CCN(CCC(F)(F)F)CC2)c([O-])c1 ZINC000457073906 501645660 /nfs/dbraw/zinc/64/56/60/501645660.db2.gz UTXJBJCVFQRHDF-UHFFFAOYSA-N -1 3 358.404 3.443 20 0 FGADHM O=c1cc(CN[C@@H](c2ccc3c(c2)OCCO3)C2CC2)nc(C2CC2)[n-]1 ZINC000459393381 501645692 /nfs/dbraw/zinc/64/56/92/501645692.db2.gz YCSZPXUDJVRHDK-LJQANCHMSA-N -1 3 353.422 3.072 20 0 FGADHM CCOc1cc(CN2CCN(C(=O)N(C)C)CC2(C)C)cc(Cl)c1[O-] ZINC000459478217 501660130 /nfs/dbraw/zinc/66/01/30/501660130.db2.gz KJQFOCRXFMICFV-UHFFFAOYSA-N -1 3 369.893 3.022 20 0 FGADHM CC(C)OCc1nc([C@@H](C)NCc2cc(=O)[n-]c(-c3ccccc3)n2)no1 ZINC000459498265 501664488 /nfs/dbraw/zinc/66/44/88/501664488.db2.gz KWTUABFHTXDDOC-CYBMUJFWSA-N -1 3 369.425 3.008 20 0 FGADHM CCC1(CC)CN(Cc2cccc([O-])c2Br)CC[S@@]1=O ZINC000459516999 501667947 /nfs/dbraw/zinc/66/79/47/501667947.db2.gz FCCMPZMQOGIDPY-FQEVSTJZSA-N -1 3 360.317 3.278 20 0 FGADHM CCOc1cc(CN2C[C@H](CC)O[C@@]3(CCOC3)C2)cc(Cl)c1[O-] ZINC000459527646 501670100 /nfs/dbraw/zinc/67/01/00/501670100.db2.gz NHJNRKVVQAJFNK-KSSFIOAISA-N -1 3 355.862 3.214 20 0 FGADHM O=c1cc(CN2CCC(Cc3ccccc3CO)CC2)nc(C2CC2)[n-]1 ZINC000459533874 501671317 /nfs/dbraw/zinc/67/13/17/501671317.db2.gz OIYBJAXJCVRWQJ-UHFFFAOYSA-N -1 3 353.466 3.007 20 0 FGADHM CCOc1cc(CN[C@@H](C)C(=O)N2Cc3ccccc3C2)cc(Cl)c1[O-] ZINC000459533269 501671449 /nfs/dbraw/zinc/67/14/49/501671449.db2.gz SHLDIBNLKWLKAG-ZDUSSCGKSA-N -1 3 374.868 3.465 20 0 FGADHM CCC1CN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000457283638 501675942 /nfs/dbraw/zinc/67/59/42/501675942.db2.gz VCYNNIIUFLCOFB-IBGZPJMESA-N -1 3 352.434 3.122 20 0 FGADHM CCCS(=O)(=O)[N-]c1cc(NC(=O)[C@@H](C)C2CCC2)c(F)cc1F ZINC000457506956 501713039 /nfs/dbraw/zinc/71/30/39/501713039.db2.gz BZVFYAVYARJAQD-JTQLQIEISA-N -1 3 360.426 3.491 20 0 FGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000455240462 501714378 /nfs/dbraw/zinc/71/43/78/501714378.db2.gz FBSXVBGTOMOLFQ-TXEJJXNPSA-N -1 3 363.259 3.173 20 0 FGADHM CC(C)(Cc1ccc(Cl)cc1)C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000457556501 501720822 /nfs/dbraw/zinc/72/08/22/501720822.db2.gz UUSAONNQDSNPPV-UHFFFAOYSA-N -1 3 369.856 3.405 20 0 FGADHM CC(C)(Cc1ccc(Cl)cc1)C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000457556501 501720824 /nfs/dbraw/zinc/72/08/24/501720824.db2.gz UUSAONNQDSNPPV-UHFFFAOYSA-N -1 3 369.856 3.405 20 0 FGADHM C[C@@H](CC(=O)N=c1cc(-c2ccccc2)[n-][nH]1)C(=O)c1cccc(F)c1 ZINC000470559547 501727403 /nfs/dbraw/zinc/72/74/03/501727403.db2.gz DUWQQIDCRPUSEF-ZDUSSCGKSA-N -1 3 351.381 3.485 20 0 FGADHM CC[C@@H](Cc1cccc(Br)c1)C(=O)Nc1nnc(SC)[n-]1 ZINC000467176762 501728131 /nfs/dbraw/zinc/72/81/31/501728131.db2.gz QPXIADSRBWGOIS-JTQLQIEISA-N -1 3 369.288 3.497 20 0 FGADHM CC[C@@H](Cc1cccc(Br)c1)C(=O)Nc1nc(SC)n[n-]1 ZINC000467176762 501728134 /nfs/dbraw/zinc/72/81/34/501728134.db2.gz QPXIADSRBWGOIS-JTQLQIEISA-N -1 3 369.288 3.497 20 0 FGADHM CC[C@@H](Cc1cccc(Br)c1)C(=O)Nc1n[n-]c(SC)n1 ZINC000467176762 501728137 /nfs/dbraw/zinc/72/81/37/501728137.db2.gz QPXIADSRBWGOIS-JTQLQIEISA-N -1 3 369.288 3.497 20 0 FGADHM O=S(=O)([N-]C1(c2c(Cl)cccc2Cl)CC1)c1cncc(F)c1 ZINC000470607344 501741571 /nfs/dbraw/zinc/74/15/71/501741571.db2.gz SCSJWEYRPBRWJR-UHFFFAOYSA-N -1 3 361.225 3.495 20 0 FGADHM COC(=O)c1c([N-]C(=O)c2cc(-c3ccccn3)no2)sc2c1CCC2 ZINC000474204853 501743578 /nfs/dbraw/zinc/74/35/78/501743578.db2.gz HNWMBGVEWJOHCW-UHFFFAOYSA-N -1 3 369.402 3.326 20 0 FGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)[C@H](C)c2ccccc2)s1 ZINC000474217211 501748296 /nfs/dbraw/zinc/74/82/96/501748296.db2.gz YAPYJUDRYUUYTI-NWDGAFQWSA-N -1 3 353.465 3.005 20 0 FGADHM COC(=O)c1c(F)ccc([N-]C(=O)c2c(C)onc2-c2cccnc2)c1F ZINC000485179422 501748878 /nfs/dbraw/zinc/74/88/78/501748878.db2.gz PREXRULZJHMEJY-UHFFFAOYSA-N -1 3 373.315 3.362 20 0 FGADHM Cc1c(Br)cccc1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000463614467 501775365 /nfs/dbraw/zinc/77/53/65/501775365.db2.gz SMNFBVNUJUAOKN-UHFFFAOYSA-N -1 3 358.199 3.190 20 0 FGADHM Cc1c(Br)cccc1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000463614467 501775370 /nfs/dbraw/zinc/77/53/70/501775370.db2.gz SMNFBVNUJUAOKN-UHFFFAOYSA-N -1 3 358.199 3.190 20 0 FGADHM C[C@@H]1C[C@H](NC(=O)N=c2nc(C(C)(C)C)[n-]s2)CN1Cc1ccccc1 ZINC000467468278 501802265 /nfs/dbraw/zinc/80/22/65/501802265.db2.gz QUQYHLPVYXANMR-HIFRSBDPSA-N -1 3 373.526 3.042 20 0 FGADHM C[C@@]1(C[N-]S(=O)(=O)c2cc(Br)ccc2F)CCCS1 ZINC000467775199 501868271 /nfs/dbraw/zinc/86/82/71/501868271.db2.gz YOBXBXGHLZTQGB-LBPRGKRZSA-N -1 3 368.293 3.152 20 0 FGADHM CCC1(CC)CCC([N-]S(=O)(=O)c2ccc(CNC(C)=O)s2)CC1 ZINC000474387200 501816480 /nfs/dbraw/zinc/81/64/80/501816480.db2.gz AGPFUUPJXNAOQN-UHFFFAOYSA-N -1 3 372.556 3.412 20 0 FGADHM CN(C)[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1Cl)c1ccco1 ZINC000485439936 501821218 /nfs/dbraw/zinc/82/12/18/501821218.db2.gz MBXABCUQSQYJTP-LBPRGKRZSA-N -1 3 363.266 3.168 20 0 FGADHM CC(C)C1CCC(NC(=O)N2CCN(C(=O)c3cccc([O-])c3)CC2)CC1 ZINC000477898890 501823976 /nfs/dbraw/zinc/82/39/76/501823976.db2.gz AQPMLOKESAWKAS-UHFFFAOYSA-N -1 3 373.497 3.074 20 0 FGADHM O=S(=O)([N-][C@H]1CC[C@@H](c2ccccc2F)C1)c1cncc(Cl)c1 ZINC000481591389 501825173 /nfs/dbraw/zinc/82/51/73/501825173.db2.gz HKAPECYXJQKBST-YPMHNXCESA-N -1 3 354.834 3.489 20 0 FGADHM O=C(N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1)[C@H]1Cc2ccccc2S1 ZINC000467715844 501851883 /nfs/dbraw/zinc/85/18/83/501851883.db2.gz OUUBWWXDKPXOSI-MRXNPFEDSA-N -1 3 357.385 3.432 20 0 FGADHM C[C@H](C(=O)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1)n1cnc2ccccc21 ZINC000467718785 501853308 /nfs/dbraw/zinc/85/33/08/501853308.db2.gz TTZSNWNTUVHDAL-LLVKDONJSA-N -1 3 367.359 3.326 20 0 FGADHM C[C@@]1(C[N-]S(=O)(=O)c2csc(-c3ccccc3)n2)CCCS1 ZINC000467756610 501862495 /nfs/dbraw/zinc/86/24/95/501862495.db2.gz AKBQAMYITKZJIB-HNNXBMFYSA-N -1 3 354.522 3.374 20 0 FGADHM CC(C)c1nnc(C[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)s1 ZINC000467764958 501864482 /nfs/dbraw/zinc/86/44/82/501864482.db2.gz AAIPHUSGWBIJTK-UHFFFAOYSA-N -1 3 366.295 3.447 20 0 FGADHM NC(=O)c1ccc([N-]C(=O)c2c(F)cc(C(F)(F)F)cc2F)c(F)c1 ZINC000463962836 501864592 /nfs/dbraw/zinc/86/45/92/501864592.db2.gz FVMNQQLGHJJDBN-UHFFFAOYSA-N -1 3 362.229 3.474 20 0 FGADHM COC(=O)c1cc(F)cc([N-]C(=O)c2cccc(OCC(F)F)n2)c1F ZINC000478062321 501869948 /nfs/dbraw/zinc/86/99/48/501869948.db2.gz OGAHDDOEXGUDAH-UHFFFAOYSA-N -1 3 372.274 3.043 20 0 FGADHM COC(=O)c1cc(F)cc([N-]C(=O)c2cncnc2-c2ccccc2)c1F ZINC000478094323 501879632 /nfs/dbraw/zinc/87/96/32/501879632.db2.gz XFSMIACRNBPKJX-UHFFFAOYSA-N -1 3 369.327 3.461 20 0 FGADHM Cn1[n-]c(CN2CCCCC[C@H]2c2ccc(C(F)(F)F)cc2)nc1=O ZINC000471006605 501889020 /nfs/dbraw/zinc/88/90/20/501889020.db2.gz KNNHZRCNTJPHDB-AWEZNQCLSA-N -1 3 354.376 3.245 20 0 FGADHM O=C(NCc1ncccc1[O-])Nc1cccc(-c2noc(C3CC3)n2)c1 ZINC000467955413 501912363 /nfs/dbraw/zinc/91/23/63/501912363.db2.gz YMWZNUQTFWKALS-UHFFFAOYSA-N -1 3 351.366 3.036 20 0 FGADHM CC(C)CCOc1ccc(C(=O)NCc2nnc(C(F)(F)F)[n-]2)cc1 ZINC000481935504 501923428 /nfs/dbraw/zinc/92/34/28/501923428.db2.gz YTGNFDFHOJEOJZ-UHFFFAOYSA-N -1 3 356.348 3.178 20 0 FGADHM CC(C)CCOc1ccc(C(=O)NCc2n[n-]c(C(F)(F)F)n2)cc1 ZINC000481935504 501923431 /nfs/dbraw/zinc/92/34/31/501923431.db2.gz YTGNFDFHOJEOJZ-UHFFFAOYSA-N -1 3 356.348 3.178 20 0 FGADHM CC(C)CCOc1ccc(C(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000481935504 501923432 /nfs/dbraw/zinc/92/34/32/501923432.db2.gz YTGNFDFHOJEOJZ-UHFFFAOYSA-N -1 3 356.348 3.178 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(OCC(F)F)cc2)cc1F ZINC000481964470 501930974 /nfs/dbraw/zinc/93/09/74/501930974.db2.gz SRNVUGHWAJVLIM-UHFFFAOYSA-N -1 3 361.341 3.279 20 0 FGADHM C[C@H]1CCCC[C@H]1OCC(=O)Nc1nnc(-c2c(F)cccc2F)[n-]1 ZINC000478316009 501940455 /nfs/dbraw/zinc/94/04/55/501940455.db2.gz QMWVCKRFEGFOIC-GXFFZTMASA-N -1 3 350.369 3.284 20 0 FGADHM C[C@H]1CCCC[C@H]1OCC(=O)Nc1nc(-c2c(F)cccc2F)n[n-]1 ZINC000478316009 501940461 /nfs/dbraw/zinc/94/04/61/501940461.db2.gz QMWVCKRFEGFOIC-GXFFZTMASA-N -1 3 350.369 3.284 20 0 FGADHM C[C@H]1CCCC[C@H]1OCC(=O)Nc1n[n-]c(-c2c(F)cccc2F)n1 ZINC000478316009 501940466 /nfs/dbraw/zinc/94/04/66/501940466.db2.gz 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/nfs/dbraw/zinc/20/24/32/502202432.db2.gz YFEUECUTQYKEFI-ZDUSSCGKSA-N -1 3 365.417 3.173 20 0 FGADHM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]C1(C)CCCC1 ZINC000468847910 502203567 /nfs/dbraw/zinc/20/35/67/502203567.db2.gz DZRAQUFCAMHCKU-GFCCVEGCSA-N -1 3 361.891 3.365 20 0 FGADHM CC[C@H](C)c1nc([C@H](C)[N-]S(=O)(=O)c2cc(F)cc(Cl)c2)n[nH]1 ZINC000486606578 502206328 /nfs/dbraw/zinc/20/63/28/502206328.db2.gz QSKPZNNAMCOPTK-IUCAKERBSA-N -1 3 360.842 3.150 20 0 FGADHM CC[C@@H](C)c1nc([C@@H](C)[N-]S(=O)(=O)c2cc(F)ccc2Cl)n[nH]1 ZINC000486610327 502206845 /nfs/dbraw/zinc/20/68/45/502206845.db2.gz LYKREGMETAMTRW-RKDXNWHRSA-N -1 3 360.842 3.150 20 0 FGADHM Cc1cccc(F)c1S(=O)(=O)[N-][C@H](c1ccc(F)cc1)[C@H]1CCCO1 ZINC000475569805 502215034 /nfs/dbraw/zinc/21/50/34/502215034.db2.gz QQLYAYKQTNTTAA-IAGOWNOFSA-N -1 3 367.417 3.472 20 0 FGADHM CC1(CS(=O)(=O)[N-]CC(=O)Nc2ccc(Cl)cc2)CCCCC1 ZINC000475573973 502216834 /nfs/dbraw/zinc/21/68/34/502216834.db2.gz UTFDVQDBLFKDNC-UHFFFAOYSA-N -1 3 358.891 3.168 20 0 FGADHM COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H]1CC=CCC1 ZINC000475579065 502217030 /nfs/dbraw/zinc/21/70/30/502217030.db2.gz SHSAUMCJXIHWRO-AWEZNQCLSA-N -1 3 373.902 3.390 20 0 FGADHM CCc1cc(C(=O)N2CCN(Cc3cccc(Cl)c3)C(=O)C2)ccc1[O-] ZINC000486643848 502217947 /nfs/dbraw/zinc/21/79/47/502217947.db2.gz FRTYPMAONGBKRU-UHFFFAOYSA-N -1 3 372.852 3.093 20 0 FGADHM CCOc1nc2ccc(C(=O)Nc3ccc(N4CCCC4=O)cc3)cc2[n-]1 ZINC000468915337 502228045 /nfs/dbraw/zinc/22/80/45/502228045.db2.gz LISYCKSLBULKQE-UHFFFAOYSA-N -1 3 364.405 3.341 20 0 FGADHM CCOc1nc2cc(C(=O)Nc3ccc(N4CCCC4=O)cc3)ccc2[n-]1 ZINC000468915337 502228050 /nfs/dbraw/zinc/22/80/50/502228050.db2.gz LISYCKSLBULKQE-UHFFFAOYSA-N -1 3 364.405 3.341 20 0 FGADHM COC(=O)C(C)(C)c1ccc(NC(=O)c2c[n-]nc2-c2ccncc2)cc1 ZINC000472092234 502228778 /nfs/dbraw/zinc/22/87/78/502228778.db2.gz FAGGRKKORHCHFL-UHFFFAOYSA-N -1 3 364.405 3.175 20 0 FGADHM COC(=O)C(C)(C)c1ccc(NC(=O)c2cn[n-]c2-c2ccncc2)cc1 ZINC000472092234 502228780 /nfs/dbraw/zinc/22/87/80/502228780.db2.gz FAGGRKKORHCHFL-UHFFFAOYSA-N -1 3 364.405 3.175 20 0 FGADHM O=S(=O)([N-][C@@H]1CCCC(F)(F)C1)c1ccc(Br)c(F)c1 ZINC000486691998 502233176 /nfs/dbraw/zinc/23/31/76/502233176.db2.gz WRFXWGXOCKYTGP-MRVPVSSYSA-N -1 3 372.206 3.444 20 0 FGADHM C/C=C\C[C@H](CO)[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000468935686 502236567 /nfs/dbraw/zinc/23/65/67/502236567.db2.gz MANOSAOTAZKKBL-MPNWYJEXSA-N -1 3 373.902 3.124 20 0 FGADHM CC(=O)c1oc2cc(C)ccc2c1CC(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000479405312 502248405 /nfs/dbraw/zinc/24/84/05/502248405.db2.gz HJRHLISJZRCWNK-UHFFFAOYSA-N -1 3 366.299 3.262 20 0 FGADHM CC(=O)c1oc2cc(C)ccc2c1CC(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000479405312 502248411 /nfs/dbraw/zinc/24/84/11/502248411.db2.gz HJRHLISJZRCWNK-UHFFFAOYSA-N -1 3 366.299 3.262 20 0 FGADHM C[C@@H](CNC(=O)NCc1ncccc1[O-])c1ccc(C(F)(F)F)cc1 ZINC000472184082 502261271 /nfs/dbraw/zinc/26/12/71/502261271.db2.gz XYCHWDDOZQJRBQ-NSHDSACASA-N -1 3 353.344 3.409 20 0 FGADHM N=c1nc(N2CCC(c3cccc(Cl)c3Cl)CC2)nc2[nH][n-]cc1-2 ZINC000461993492 502265708 /nfs/dbraw/zinc/26/57/08/502265708.db2.gz YGTBPHXBWWZLEX-UHFFFAOYSA-N -1 3 363.252 3.408 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CC(C)(C)O3)cc1OC ZINC000469023432 502267797 /nfs/dbraw/zinc/26/77/97/502267797.db2.gz QQNOMWMXWOZUNA-UHFFFAOYSA-N -1 3 363.435 3.218 20 0 FGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]CCc2cc(C)c(O)c(C)c2)c1 ZINC000469035292 502271836 /nfs/dbraw/zinc/27/18/36/502271836.db2.gz UARCORFNAFCZIA-UHFFFAOYSA-N -1 3 369.870 3.192 20 0 FGADHM CCC(O)(CC)CC[N-]S(=O)(=O)c1cc(C)c(Br)s1 ZINC000472213801 502272632 /nfs/dbraw/zinc/27/26/32/502272632.db2.gz QHIJXVUEPDSXIB-UHFFFAOYSA-N -1 3 370.334 3.039 20 0 FGADHM Cc1cc(F)c(S(=O)(=O)[N-][C@H]2CCOc3ccc(F)cc32)cc1F ZINC000475736316 502272614 /nfs/dbraw/zinc/27/26/14/502272614.db2.gz YMCJNHSXYASXAP-AWEZNQCLSA-N -1 3 357.353 3.214 20 0 FGADHM CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000483126216 502282727 /nfs/dbraw/zinc/28/27/27/502282727.db2.gz UPMJLVHMJBQIGT-GFCCVEGCSA-N -1 3 373.354 3.029 20 0 FGADHM CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000483126216 502282731 /nfs/dbraw/zinc/28/27/31/502282731.db2.gz UPMJLVHMJBQIGT-GFCCVEGCSA-N -1 3 373.354 3.029 20 0 FGADHM CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000483126216 502282735 /nfs/dbraw/zinc/28/27/35/502282735.db2.gz UPMJLVHMJBQIGT-GFCCVEGCSA-N -1 3 373.354 3.029 20 0 FGADHM COCC[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)c1ccco1 ZINC000462054088 502287962 /nfs/dbraw/zinc/28/79/62/502287962.db2.gz DYKUQWZQRVSJDO-SECBINFHSA-N -1 3 369.386 3.416 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)c1c(F)cncc1F ZINC000462070329 502294251 /nfs/dbraw/zinc/29/42/51/502294251.db2.gz KGXBKKPMDQVGSK-LURJTMIESA-N -1 3 372.340 3.480 20 0 FGADHM COCC(C)(C)CCC[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000462078073 502298844 /nfs/dbraw/zinc/29/88/44/502298844.db2.gz WQPHHKDUFMJMIY-UHFFFAOYSA-N -1 3 359.435 3.498 20 0 FGADHM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc3cc(Cl)ccc3s2)CN1C1CC1 ZINC000472316561 502311821 /nfs/dbraw/zinc/31/18/21/502311821.db2.gz VJMPDSVWBVXRNN-GXFFZTMASA-N -1 3 370.927 3.458 20 0 FGADHM C[C@H]1C[C@H]([N-]S(=O)(=O)c2cc3cc(Cl)ccc3s2)CN1C1CC1 ZINC000472316548 502312065 /nfs/dbraw/zinc/31/20/65/502312065.db2.gz VJMPDSVWBVXRNN-GWCFXTLKSA-N -1 3 370.927 3.458 20 0 FGADHM CO[C@@](C)(C[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)C1CC1 ZINC000462117366 502313188 /nfs/dbraw/zinc/31/31/88/502313188.db2.gz LNCDMEKPKSCOFL-ZDUSSCGKSA-N -1 3 371.808 3.452 20 0 FGADHM O=S(=O)([N-]Cc1ccc2ccccc2n1)c1cc(F)c(F)c(F)c1 ZINC000462126001 502316570 /nfs/dbraw/zinc/31/65/70/502316570.db2.gz CHHLUNLXRINHQE-UHFFFAOYSA-N -1 3 352.337 3.131 20 0 FGADHM CCN(Cc1nc(=O)c2sccc2[n-]1)[C@@H](COC)Cc1ccccc1 ZINC000472334256 502320291 /nfs/dbraw/zinc/32/02/91/502320291.db2.gz AEBCZGDHPOGPIL-OAHLLOKOSA-N -1 3 357.479 3.477 20 0 FGADHM CC[C@H](Cc1ccccc1)N(CC)CC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000469193786 502331998 /nfs/dbraw/zinc/33/19/98/502331998.db2.gz GZMLNRSTKTYVQI-QGZVFWFLSA-N -1 3 371.506 3.352 20 0 FGADHM Cc1ccc2c(c1)CN(Cc1nc3c(cnn3-c3ccccc3)c(=O)[n-]1)C2 ZINC000483328419 502351832 /nfs/dbraw/zinc/35/18/32/502351832.db2.gz VUUHNSPNHFHAGN-UHFFFAOYSA-N -1 3 357.417 3.345 20 0 FGADHM O=C(NCCc1cccc(OCc2ccccc2)c1)c1csc(=O)[n-]1 ZINC000472439481 502352690 /nfs/dbraw/zinc/35/26/90/502352690.db2.gz MRDLJKGRLIUABE-UHFFFAOYSA-N -1 3 354.431 3.400 20 0 FGADHM CCOCCC1(CNC(=O)Cc2ccc(Br)cc2[O-])CC1 ZINC000487090542 502355167 /nfs/dbraw/zinc/35/51/67/502355167.db2.gz FJXVHUQBICQFHW-UHFFFAOYSA-N -1 3 356.260 3.020 20 0 FGADHM O=S(=O)([N-]CCn1cccc1)c1ccc(Cl)cc1C(F)(F)F ZINC000487095872 502357642 /nfs/dbraw/zinc/35/76/42/502357642.db2.gz DQNWRKOJNRSBRC-UHFFFAOYSA-N -1 3 352.765 3.139 20 0 FGADHM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]CC1CCCC1 ZINC000469290829 502363281 /nfs/dbraw/zinc/36/32/81/502363281.db2.gz QZAUSHHUFWTZAD-GFCCVEGCSA-N -1 3 361.891 3.222 20 0 FGADHM CCC(CC)(CC(=O)OC)[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000487129769 502367444 /nfs/dbraw/zinc/36/74/44/502367444.db2.gz AMHDIKXKCHJNIL-UHFFFAOYSA-N -1 3 367.389 3.106 20 0 FGADHM CCn1cnc(S(=O)(=O)[N-]C[C@@H](Cc2ccccc2)c2ccccc2)c1 ZINC000487157061 502375716 /nfs/dbraw/zinc/37/57/16/502375716.db2.gz TXZZFVHHCTUBTN-LJQANCHMSA-N -1 3 369.490 3.208 20 0 FGADHM CCC(CC)(CNC(=O)c1csc(=O)[n-]1)c1ccc(OC)c(OC)c1 ZINC000472522767 502375726 /nfs/dbraw/zinc/37/57/26/502375726.db2.gz VIVBIPKBVRPDDN-UHFFFAOYSA-N -1 3 364.467 3.354 20 0 FGADHM O=C(Cc1ccc(Br)cc1[O-])NC[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000479782363 502376319 /nfs/dbraw/zinc/37/63/19/502376319.db2.gz LVEMFUZYXBUACO-GPMSIDNRSA-N -1 3 372.262 3.399 20 0 FGADHM CO[C@H](C)c1nc(CNC(=O)CCCc2ccc([O-])c(F)c2)cs1 ZINC000469329068 502377555 /nfs/dbraw/zinc/37/75/55/502377555.db2.gz SHPRQZFFPPXQMQ-LLVKDONJSA-N -1 3 352.431 3.334 20 0 FGADHM COc1ccccc1[C@@]1(C)C[C@@H]1[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000462303939 502385699 /nfs/dbraw/zinc/38/56/99/502385699.db2.gz BRKIKARCMXYPEZ-DLBZAZTESA-N -1 3 369.845 3.496 20 0 FGADHM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H]1CC1(C)C ZINC000469358313 502386627 /nfs/dbraw/zinc/38/66/27/502386627.db2.gz DZSFBUPIWZSROZ-VXGBXAGGSA-N -1 3 361.891 3.078 20 0 FGADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCn2c(nnc2C2CCCC2)C1 ZINC000469366940 502388698 /nfs/dbraw/zinc/38/86/98/502388698.db2.gz GYBAIJQYQFYBMY-UHFFFAOYSA-N -1 3 372.444 3.146 20 0 FGADHM CCCS(=O)(=O)[N-]c1cc(NC(=O)[C@H]2C[C@H]2C(C)C)c(F)cc1F ZINC000476112227 502389156 /nfs/dbraw/zinc/38/91/56/502389156.db2.gz RFDZOVLNWXVZHC-QWRGUYRKSA-N -1 3 360.426 3.347 20 0 FGADHM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)c2ccc(C)c(Cl)c2)o1 ZINC000462324534 502393234 /nfs/dbraw/zinc/39/32/34/502393234.db2.gz KXBATSBOQFSOJE-OAHLLOKOSA-N -1 3 357.859 3.470 20 0 FGADHM Cc1ccc(-c2cc(=NC(=O)[C@H]3CCc4nc(C(C)C)[nH]c4C3)[nH][n-]2)s1 ZINC000479851206 502397600 /nfs/dbraw/zinc/39/76/00/502397600.db2.gz LYGQFJPAQUYWOY-LBPRGKRZSA-N -1 3 369.494 3.459 20 0 FGADHM Cc1ccc(-c2cc(=NC(=O)[C@H]3CCc4[nH]c(C(C)C)nc4C3)[nH][n-]2)s1 ZINC000479851206 502397605 /nfs/dbraw/zinc/39/76/05/502397605.db2.gz LYGQFJPAQUYWOY-LBPRGKRZSA-N -1 3 369.494 3.459 20 0 FGADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H](C)CCC2CC2)cc1Cl ZINC000469391841 502397562 /nfs/dbraw/zinc/39/75/62/502397562.db2.gz WCPBUSZBXKQENY-VIFPVBQESA-N -1 3 362.854 3.295 20 0 FGADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCC(CO)(c2ccccc2)CC1 ZINC000479865382 502402060 /nfs/dbraw/zinc/40/20/60/502402060.db2.gz QKMIMXIULYJWOZ-UHFFFAOYSA-N -1 3 371.452 3.407 20 0 FGADHM CCc1cc(C(=O)N[C@@](C)(CC(=O)OC)c2cccc(F)c2)ccc1[O-] ZINC000487303131 502412421 /nfs/dbraw/zinc/41/24/21/502412421.db2.gz BELMAVDXDQLABU-FQEVSTJZSA-N -1 3 359.397 3.302 20 0 FGADHM C[C@H]1C[C@H](NC(=O)CCCc2ccc([O-])c(F)c2)C(=O)N1c1ccccc1 ZINC000469426387 502412596 /nfs/dbraw/zinc/41/25/96/502412596.db2.gz NGTTVPFWVZLWEX-KSSFIOAISA-N -1 3 370.424 3.164 20 0 FGADHM C[C@H]1C[C@@H](NC(=O)CCCc2ccc([O-])c(F)c2)C(=O)N1c1ccccc1 ZINC000469426385 502412976 /nfs/dbraw/zinc/41/29/76/502412976.db2.gz NGTTVPFWVZLWEX-KBXCAEBGSA-N -1 3 370.424 3.164 20 0 FGADHM CO[C@H](c1ccccc1Cl)[C@@H](C)[N-]S(=O)(=O)c1sc(C)nc1C ZINC000479924210 502420800 /nfs/dbraw/zinc/42/08/00/502420800.db2.gz YLIUTFWQMLPGMF-OTYXRUKQSA-N -1 3 374.915 3.468 20 0 FGADHM COC[C@H]([N-]S(=O)(=O)c1c(C)cccc1F)c1ccc(Cl)cc1 ZINC000487349380 502422930 /nfs/dbraw/zinc/42/29/30/502422930.db2.gz FFVIKKDTQVQUPH-HNNXBMFYSA-N -1 3 357.834 3.454 20 0 FGADHM CN(Cc1ccc2ccccc2c1)C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000483540450 502425242 /nfs/dbraw/zinc/42/52/42/502425242.db2.gz GCAXZEIGCIHHHR-UHFFFAOYSA-N -1 3 363.343 3.318 20 0 FGADHM CN(Cc1ccc2ccccc2c1)C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000483540450 502425246 /nfs/dbraw/zinc/42/52/46/502425246.db2.gz GCAXZEIGCIHHHR-UHFFFAOYSA-N -1 3 363.343 3.318 20 0 FGADHM CN(Cc1ccc2ccccc2c1)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000483540450 502425249 /nfs/dbraw/zinc/42/52/49/502425249.db2.gz GCAXZEIGCIHHHR-UHFFFAOYSA-N -1 3 363.343 3.318 20 0 FGADHM C[C@@H](c1ccccc1Cl)N(C)C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000483546644 502427186 /nfs/dbraw/zinc/42/71/86/502427186.db2.gz WHKBHRQIJHYZJC-QMMMGPOBSA-N -1 3 361.755 3.380 20 0 FGADHM C[C@@H](c1ccccc1Cl)N(C)C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000483546644 502427192 /nfs/dbraw/zinc/42/71/92/502427192.db2.gz WHKBHRQIJHYZJC-QMMMGPOBSA-N -1 3 361.755 3.380 20 0 FGADHM C[C@@H](c1ccccc1Cl)N(C)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000483546644 502427199 /nfs/dbraw/zinc/42/71/99/502427199.db2.gz WHKBHRQIJHYZJC-QMMMGPOBSA-N -1 3 361.755 3.380 20 0 FGADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)N(Cc1ccc(Cl)cc1)C1CC1 ZINC000483547930 502427996 /nfs/dbraw/zinc/42/79/96/502427996.db2.gz FXXMLYLDRSNRRO-UHFFFAOYSA-N -1 3 373.766 3.351 20 0 FGADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)N(Cc1ccc(Cl)cc1)C1CC1 ZINC000483547930 502427999 /nfs/dbraw/zinc/42/79/99/502427999.db2.gz FXXMLYLDRSNRRO-UHFFFAOYSA-N -1 3 373.766 3.351 20 0 FGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N(Cc1ccc(Cl)cc1)C1CC1 ZINC000483547930 502428000 /nfs/dbraw/zinc/42/80/00/502428000.db2.gz FXXMLYLDRSNRRO-UHFFFAOYSA-N -1 3 373.766 3.351 20 0 FGADHM CCC(CC)c1cc(C[N-]S(=O)(=O)c2ccc(OC)cc2C)on1 ZINC000462415568 502429182 /nfs/dbraw/zinc/42/91/82/502429182.db2.gz HGVBXDVJTJUUSH-UHFFFAOYSA-N -1 3 352.456 3.374 20 0 FGADHM CCOC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(C)cc1)c1cccc(C)c1C ZINC000472748395 502429720 /nfs/dbraw/zinc/42/97/20/502429720.db2.gz IBGPSMDZRBZHTN-SFHVURJKSA-N -1 3 361.463 3.195 20 0 FGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CCOc2c(F)cccc21 ZINC000487391992 502432218 /nfs/dbraw/zinc/43/22/18/502432218.db2.gz HHBXMJNTNXDELM-ZDUSSCGKSA-N -1 3 371.817 3.290 20 0 FGADHM Cc1ccc(C)c([C@H]2CCCN2C(=O)NCc2nnc(C(F)(F)F)[n-]2)c1 ZINC000483576126 502435363 /nfs/dbraw/zinc/43/53/63/502435363.db2.gz RLJTYXOAFVAIFO-CYBMUJFWSA-N -1 3 367.375 3.487 20 0 FGADHM Cc1ccc(C)c([C@H]2CCCN2C(=O)NCc2n[n-]c(C(F)(F)F)n2)c1 ZINC000483576126 502435365 /nfs/dbraw/zinc/43/53/65/502435365.db2.gz RLJTYXOAFVAIFO-CYBMUJFWSA-N -1 3 367.375 3.487 20 0 FGADHM Cc1ccc(C)c([C@H]2CCCN2C(=O)NCc2nc(C(F)(F)F)n[n-]2)c1 ZINC000483576126 502435368 /nfs/dbraw/zinc/43/53/68/502435368.db2.gz RLJTYXOAFVAIFO-CYBMUJFWSA-N -1 3 367.375 3.487 20 0 FGADHM COC[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1F)c1ccc(Cl)cc1 ZINC000487406670 502435633 /nfs/dbraw/zinc/43/56/33/502435633.db2.gz ZAZRLQRLVAPGTG-CQSZACIVSA-N -1 3 361.797 3.284 20 0 FGADHM CC(C)[C@@H]1CCC[C@H](NC(=O)CC[N-]S(=O)(=O)c2cccs2)CC1 ZINC000469508600 502445899 /nfs/dbraw/zinc/44/58/99/502445899.db2.gz NCWZUOLWKDWGIY-CABCVRRESA-N -1 3 372.556 3.138 20 0 FGADHM COCC[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)c1ccc(C)o1 ZINC000480046692 502456274 /nfs/dbraw/zinc/45/62/74/502456274.db2.gz OJSIQYRTEBIOOG-GFCCVEGCSA-N -1 3 361.822 3.437 20 0 FGADHM COCCn1c(NC(=O)CCCc2ccc([O-])c(F)c2)nc2ccccc21 ZINC000469555607 502461343 /nfs/dbraw/zinc/46/13/43/502461343.db2.gz BPUOMKAENYYJJL-UHFFFAOYSA-N -1 3 371.412 3.489 20 0 FGADHM CCC1(CC)CN(C(=O)CCCc2ccc([O-])c(F)c2)CC[S@]1=O ZINC000469564233 502464979 /nfs/dbraw/zinc/46/49/79/502464979.db2.gz VUNJREBQUPZXRI-XMMPIXPASA-N -1 3 355.475 3.004 20 0 FGADHM COCC[C@@H]([N-]S(=O)(=O)c1cc(F)cc(Cl)c1)c1ccc(C)o1 ZINC000480075344 502466217 /nfs/dbraw/zinc/46/62/17/502466217.db2.gz UVTOQNIOCGJUTK-CQSZACIVSA-N -1 3 361.822 3.437 20 0 FGADHM Cc1n[nH]c([N-]S(=O)(=O)c2ccc(C3CC3)cc2)c1Br ZINC000582593479 506315133 /nfs/dbraw/zinc/31/51/33/506315133.db2.gz VMIJSMSJBHKAPJ-UHFFFAOYSA-N -1 3 356.245 3.159 20 0 FGADHM CCc1[n-][nH]c(=NC(=O)N[C@H](CCc2ccccc2)C(F)(F)F)c1C ZINC000480102608 502473326 /nfs/dbraw/zinc/47/33/26/502473326.db2.gz GIPMPQANTYDUTG-CQSZACIVSA-N -1 3 354.376 3.388 20 0 FGADHM COC(=O)c1cc(NC(=O)c2c[n-]nc2-c2ccncc2)cc(C)c1C ZINC000483761919 502485528 /nfs/dbraw/zinc/48/55/28/502485528.db2.gz UCPHEXHMRYOKKG-UHFFFAOYSA-N -1 3 350.378 3.127 20 0 FGADHM COC(=O)c1cc(NC(=O)c2cn[n-]c2-c2ccncc2)cc(C)c1C ZINC000483761919 502485529 /nfs/dbraw/zinc/48/55/29/502485529.db2.gz UCPHEXHMRYOKKG-UHFFFAOYSA-N -1 3 350.378 3.127 20 0 FGADHM O=S(=O)([N-][C@@H]1CCN(CC2CCCC2)C1)c1cccc(Cl)c1F ZINC000462574931 502492156 /nfs/dbraw/zinc/49/21/56/502492156.db2.gz OGWBLTWIDSWZMX-CYBMUJFWSA-N -1 3 360.882 3.022 20 0 FGADHM CCC[C@](C)(CC)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1[O-] ZINC000476472655 502498691 /nfs/dbraw/zinc/49/86/91/502498691.db2.gz PLMOTLRXJNHPCS-KRWDZBQOSA-N -1 3 354.472 3.087 20 0 FGADHM COc1ccccc1OC[C@@H](C)C[N-]S(=O)(=O)c1c(C)cccc1F ZINC000476502016 502506779 /nfs/dbraw/zinc/50/67/79/502506779.db2.gz BWAUVKLRLYOIJY-ZDUSSCGKSA-N -1 3 367.442 3.136 20 0 FGADHM CCC(O)(CC)CCNC(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000473054703 502510574 /nfs/dbraw/zinc/51/05/74/502510574.db2.gz FITNXJRLAJZRMM-UHFFFAOYSA-N -1 3 355.434 3.294 20 0 FGADHM CCOc1nc2cc(C(=O)N[C@H](C)c3nc(C(C)(C)C)no3)ccc2[n-]1 ZINC000469711351 502511781 /nfs/dbraw/zinc/51/17/81/502511781.db2.gz CLEFIBUFOZJVFA-SNVBAGLBSA-N -1 3 357.414 3.133 20 0 FGADHM CCOc1nc2ccc(C(=O)N[C@H](C)c3nc(C(C)(C)C)no3)cc2[n-]1 ZINC000469711351 502511784 /nfs/dbraw/zinc/51/17/84/502511784.db2.gz CLEFIBUFOZJVFA-SNVBAGLBSA-N -1 3 357.414 3.133 20 0 FGADHM COCC[C@@H]([N-]S(=O)(=O)c1ccc2ncsc2c1)c1ccc(C)o1 ZINC000476519888 502511942 /nfs/dbraw/zinc/51/19/42/502511942.db2.gz YVDRCBLFTPHTGA-CYBMUJFWSA-N -1 3 366.464 3.254 20 0 FGADHM CCCCOCCOCC[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000462654469 502523760 /nfs/dbraw/zinc/52/37/60/502523760.db2.gz COEWYLTWAMQJOP-UHFFFAOYSA-N -1 3 370.298 3.105 20 0 FGADHM COC(=O)CCN(Cc1ccc(F)c(F)c1)Cc1cc([O-])cc(F)c1 ZINC000473137533 502525458 /nfs/dbraw/zinc/52/54/58/502525458.db2.gz FYELROQNFNFLME-UHFFFAOYSA-N -1 3 353.340 3.375 20 0 FGADHM Cc1cc(=O)[n-]c([C@H](C)N2CCN(Cc3ccc(F)cc3Cl)CC2)n1 ZINC000469739493 502525764 /nfs/dbraw/zinc/52/57/64/502525764.db2.gz KLLGPMHRCCAAIQ-ZDUSSCGKSA-N -1 3 364.852 3.162 20 0 FGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H](C)Oc2cccc(F)c2)c1 ZINC000462714804 502546099 /nfs/dbraw/zinc/54/60/99/502546099.db2.gz IVCJTFXHRAIXOM-LLVKDONJSA-N -1 3 373.833 3.234 20 0 FGADHM C[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1F)Oc1ccccc1Cl ZINC000462716976 502547223 /nfs/dbraw/zinc/54/72/23/502547223.db2.gz GJWFONNDHABHAO-SNVBAGLBSA-N -1 3 361.797 3.364 20 0 FGADHM COc1cc(F)c(S(=O)(=O)[N-][C@@H]2CC[C@H]3CCC[C@@H]3C2)cc1OC ZINC000462720021 502548136 /nfs/dbraw/zinc/54/81/36/502548136.db2.gz HZWAEYYBHQIPCS-JHJVBQTASA-N -1 3 357.447 3.090 20 0 FGADHM COc1cc(F)c(S(=O)(=O)[N-][C@@H]2CC[C@H]3CCC[C@H]3C2)cc1OC ZINC000462720019 502548417 /nfs/dbraw/zinc/54/84/17/502548417.db2.gz HZWAEYYBHQIPCS-FRRDWIJNSA-N -1 3 357.447 3.090 20 0 FGADHM C[C@@H](O)C[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)s1)c1ccccc1 ZINC000469803643 502550058 /nfs/dbraw/zinc/55/00/58/502550058.db2.gz CKSVXXCWJBHFLB-YPMHNXCESA-N -1 3 359.900 3.235 20 0 FGADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@@H](CO)Cc1c[nH]c2ccccc12 ZINC000469807875 502552095 /nfs/dbraw/zinc/55/20/95/502552095.db2.gz GWYDBRRFTHNFAF-MRXNPFEDSA-N -1 3 370.424 3.055 20 0 FGADHM CCOC(=O)c1c(C(C)C)csc1[N-]C(=O)C(=O)N1CC[C@H](C)[C@@H]1C ZINC000484039526 502555608 /nfs/dbraw/zinc/55/56/08/502555608.db2.gz HYGWJRUYWMCTIQ-RYUDHWBXSA-N -1 3 366.483 3.244 20 0 FGADHM CC(C)[C@@H]1CN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)CCN1C ZINC000487982995 502588921 /nfs/dbraw/zinc/58/89/21/502588921.db2.gz TWDASOHMKKZRFF-AWEZNQCLSA-N -1 3 372.494 3.429 20 0 FGADHM CCOc1nc2cc(C(=O)N[C@@H](CCCO)c3ccccc3)ccc2[n-]1 ZINC000469897125 502589076 /nfs/dbraw/zinc/58/90/76/502589076.db2.gz BUWSYZUEBMJDPM-INIZCTEOSA-N -1 3 353.422 3.205 20 0 FGADHM CCOc1nc2ccc(C(=O)N[C@@H](CCCO)c3ccccc3)cc2[n-]1 ZINC000469897125 502589082 /nfs/dbraw/zinc/58/90/82/502589082.db2.gz BUWSYZUEBMJDPM-INIZCTEOSA-N -1 3 353.422 3.205 20 0 FGADHM COc1ccc(F)c2[nH]c(C(=O)Nc3nnc(-c4ccc(C)o4)[n-]3)cc21 ZINC000480512621 502589282 /nfs/dbraw/zinc/58/92/82/502589282.db2.gz XMPBRZYZXHOXOB-UHFFFAOYSA-N -1 3 355.329 3.254 20 0 FGADHM COc1ccc(F)c2[nH]c(C(=O)Nc3nc(-c4ccc(C)o4)n[n-]3)cc21 ZINC000480512621 502589287 /nfs/dbraw/zinc/58/92/87/502589287.db2.gz XMPBRZYZXHOXOB-UHFFFAOYSA-N -1 3 355.329 3.254 20 0 FGADHM COc1ccc(F)c2[nH]c(C(=O)Nc3n[n-]c(-c4ccc(C)o4)n3)cc21 ZINC000480512621 502589293 /nfs/dbraw/zinc/58/92/93/502589293.db2.gz XMPBRZYZXHOXOB-UHFFFAOYSA-N -1 3 355.329 3.254 20 0 FGADHM Cc1ccccc1-n1ncc(C(=O)NCc2cnc(C)[n-]c2=O)c1C(C)C ZINC000480539142 502595824 /nfs/dbraw/zinc/59/58/24/502595824.db2.gz UEHBPJJQCQPLFM-UHFFFAOYSA-N -1 3 365.437 3.038 20 0 FGADHM COc1cccc(-c2cc(C(=O)[N-]c3nnc(-c4ccco4)s3)n[nH]2)c1 ZINC000480636567 502629751 /nfs/dbraw/zinc/62/97/51/502629751.db2.gz NTXOJCRNIIJEDY-UHFFFAOYSA-N -1 3 367.390 3.449 20 0 FGADHM COc1ccc(CC[N-]S(=O)(=O)c2ccc(Cl)cc2F)cc1F ZINC000476959461 502633780 /nfs/dbraw/zinc/63/37/80/502633780.db2.gz UGJIQVXTXJINDR-UHFFFAOYSA-N -1 3 361.797 3.148 20 0 FGADHM CO[C@H](C)[C@@H](C)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000484371909 502634657 /nfs/dbraw/zinc/63/46/57/502634657.db2.gz OENOBVWVUYYAFD-ZIAGYGMSSA-N -1 3 366.458 3.140 20 0 FGADHM CC[C@H](COC)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000484378914 502635809 /nfs/dbraw/zinc/63/58/09/502635809.db2.gz NPLSTBSDVOUFEO-MRXNPFEDSA-N -1 3 366.458 3.141 20 0 FGADHM CC(C)=CCC[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000480693830 502645158 /nfs/dbraw/zinc/64/51/58/502645158.db2.gz KEYNQHBSWZJHAL-AWEZNQCLSA-N -1 3 373.902 3.390 20 0 FGADHM C[C@H]1CCC[C@@H]1CNC(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000466707415 502648446 /nfs/dbraw/zinc/64/84/46/502648446.db2.gz YYDWCXGLHFNLFI-GOEBONIOSA-N -1 3 359.470 3.189 20 0 FGADHM CCOC1CC(CCNC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)C1 ZINC000473608160 502653838 /nfs/dbraw/zinc/65/38/38/502653838.db2.gz WEWKOKYCDFWAHP-UHFFFAOYSA-N -1 3 370.453 3.484 20 0 FGADHM CCN(C(=O)c1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1)c1cccc(Cl)c1 ZINC000480727715 502654804 /nfs/dbraw/zinc/65/48/04/502654804.db2.gz KGODVIQTDJRIKZ-IBGZPJMESA-N -1 3 371.824 3.061 20 0 FGADHM Cc1nn(-c2ccc(C(=O)NCc3ncccc3[O-])cc2)c(C)c1Cl ZINC000473631413 502659831 /nfs/dbraw/zinc/65/98/31/502659831.db2.gz XFFGQARYKRLVOQ-UHFFFAOYSA-N -1 3 356.813 3.173 20 0 FGADHM O=C(CCCOc1cccc(Br)c1)NCc1ncccc1[O-] ZINC000473634033 502661373 /nfs/dbraw/zinc/66/13/73/502661373.db2.gz NORRFFFNRNMJMW-UHFFFAOYSA-N -1 3 365.227 3.025 20 0 FGADHM COc1ccccc1[C@@H]1C[C@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000582617103 506327001 /nfs/dbraw/zinc/32/70/01/506327001.db2.gz LLLPIYJMMMHNCH-GXTWGEPZSA-N -1 3 355.818 3.322 20 0 FGADHM Cc1cccc(Oc2ccc(S(=O)(=O)NCc3ncccc3[O-])cc2)c1 ZINC000480758577 502663284 /nfs/dbraw/zinc/66/32/84/502663284.db2.gz SGKMAMTYFHZMFF-UHFFFAOYSA-N -1 3 370.430 3.366 20 0 FGADHM CCn1c(=O)[n-]nc1S[C@H](C(=O)OC)c1ccc(Cl)cc1Cl ZINC000463030336 502666218 /nfs/dbraw/zinc/66/62/18/502666218.db2.gz ANWZLNRHOLKBRZ-JTQLQIEISA-N -1 3 362.238 3.317 20 0 FGADHM Cc1cccc(F)c1S(=O)(=O)[N-]C[C@](C)(Cc1ccccc1)[C@@H](C)O ZINC000480778427 502668409 /nfs/dbraw/zinc/66/84/09/502668409.db2.gz XNOMAAHITZAJQX-BEFAXECRSA-N -1 3 365.470 3.042 20 0 FGADHM Cc1nc2ccc(C(=O)Nc3nnc(-c4c(F)cccc4F)[n-]3)cc2o1 ZINC000473697974 502680805 /nfs/dbraw/zinc/68/08/05/502680805.db2.gz QTFYHESFLXFCDN-UHFFFAOYSA-N -1 3 355.304 3.452 20 0 FGADHM Cc1nc2ccc(C(=O)Nc3nc(-c4c(F)cccc4F)n[n-]3)cc2o1 ZINC000473697974 502680811 /nfs/dbraw/zinc/68/08/11/502680811.db2.gz QTFYHESFLXFCDN-UHFFFAOYSA-N -1 3 355.304 3.452 20 0 FGADHM Cc1nc2ccc(C(=O)Nc3n[n-]c(-c4c(F)cccc4F)n3)cc2o1 ZINC000473697974 502680814 /nfs/dbraw/zinc/68/08/14/502680814.db2.gz QTFYHESFLXFCDN-UHFFFAOYSA-N -1 3 355.304 3.452 20 0 FGADHM C[C@@H]1CN(C2CC2)C[C@@H]1[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000480843035 502685985 /nfs/dbraw/zinc/68/59/85/502685985.db2.gz VNAFWMSYRKFRHK-YGRLFVJLSA-N -1 3 370.927 3.316 20 0 FGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C(C)C)C(C)(C)O)c1Cl ZINC000480891239 502699120 /nfs/dbraw/zinc/69/91/20/502699120.db2.gz UUVPZJXBEOMFOC-ZDUSSCGKSA-N -1 3 354.299 3.376 20 0 FGADHM CO[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)C(C)C ZINC000466881948 502712749 /nfs/dbraw/zinc/71/27/49/502712749.db2.gz JWHSJCMGDOKVBM-LLVKDONJSA-N -1 3 359.797 3.308 20 0 FGADHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)c1cc(Oc2ccccc2)ccn1 ZINC000473840978 502720068 /nfs/dbraw/zinc/72/00/68/502720068.db2.gz FLHYQKSFELVTDO-QGZVFWFLSA-N -1 3 350.378 3.123 20 0 FGADHM CCS[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC000480994126 502723159 /nfs/dbraw/zinc/72/31/59/502723159.db2.gz WPTGYKPWSYEBAD-QWRGUYRKSA-N -1 3 354.419 3.053 20 0 FGADHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)c1cc(-c2ccccc2Cl)on1 ZINC000473850280 502723920 /nfs/dbraw/zinc/72/39/20/502723920.db2.gz NLSCIGUGPVBRDO-CQSZACIVSA-N -1 3 358.785 3.244 20 0 FGADHM COc1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)[C@H]2CCCO2)c(F)c1 ZINC000481006412 502725974 /nfs/dbraw/zinc/72/59/74/502725974.db2.gz BPUGGBCCYVRAGU-AEFFLSMTSA-N -1 3 365.426 3.033 20 0 FGADHM CC(C)Cc1ccc(C(=O)CCC(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)cc1 ZINC000473854896 502726133 /nfs/dbraw/zinc/72/61/33/502726133.db2.gz HHSMRPQGJHNLLQ-IBGZPJMESA-N -1 3 369.465 3.483 20 0 FGADHM COC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(C)c(Cl)s1 ZINC000473856980 502727481 /nfs/dbraw/zinc/72/74/81/502727481.db2.gz FMAZHGRYUWCJHH-CYBMUJFWSA-N -1 3 359.900 3.246 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]Cc2nnc(C(C)(C)C)s2)sc1Cl ZINC000473860253 502728199 /nfs/dbraw/zinc/72/81/99/502728199.db2.gz RCJPJDKJQOJZIQ-UHFFFAOYSA-N -1 3 365.933 3.337 20 0 FGADHM COc1ccc(S(=O)(=O)[N-][C@H]2CCc3c2cccc3Cl)c(F)c1 ZINC000481019449 502729548 /nfs/dbraw/zinc/72/95/48/502729548.db2.gz ZBVKKOLORNCQNX-HNNXBMFYSA-N -1 3 355.818 3.454 20 0 FGADHM COc1ccc(S(=O)(=O)[N-][C@@H](c2ncc(C)s2)C2CC2)c(F)c1 ZINC000481029468 502732791 /nfs/dbraw/zinc/73/27/91/502732791.db2.gz YVCAKZZFLLUIRS-CQSZACIVSA-N -1 3 356.444 3.029 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]C[C@H](C)Sc2ccccc2)c(F)c1 ZINC000481037010 502736609 /nfs/dbraw/zinc/73/66/09/502736609.db2.gz KFFJPQLJKVDPLM-LBPRGKRZSA-N -1 3 355.456 3.293 20 0 FGADHM COc1ccc(S(=O)(=O)[N-][C@H](c2nc(C)cs2)C2CC2)c(F)c1 ZINC000481072585 502747605 /nfs/dbraw/zinc/74/76/05/502747605.db2.gz OIENNBFQEYEODS-AWEZNQCLSA-N -1 3 356.444 3.029 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]C[C@H](OC)c2cccc(Cl)c2)c(F)c1 ZINC000481080823 502749497 /nfs/dbraw/zinc/74/94/97/502749497.db2.gz ZTFYDFZYFABYQU-HNNXBMFYSA-N -1 3 373.833 3.154 20 0 FGADHM CCO[C@@H]1C[C@H](NC(=O)Cc2ccc(Br)cc2[O-])C12CCC2 ZINC000477348187 502749838 /nfs/dbraw/zinc/74/98/38/502749838.db2.gz GABUHCRKCRQXJB-LSDHHAIUSA-N -1 3 368.271 3.161 20 0 FGADHM CCc1cc(=O)[n-]c(CS[C@H](C)C(=O)Nc2cc(C)ccc2OC)n1 ZINC000477356273 502752231 /nfs/dbraw/zinc/75/22/31/502752231.db2.gz YCZBQXHABJDQGJ-GFCCVEGCSA-N -1 3 361.467 3.322 20 0 FGADHM Cn1[n-]c(-c2ccccc2Cl)nc1=NC(=O)C1(c2ccc(F)cc2)CC1 ZINC000484876918 502763414 /nfs/dbraw/zinc/76/34/14/502763414.db2.gz DNBGWFAXLYLYBL-UHFFFAOYSA-N -1 3 370.815 3.367 20 0 FGADHM Cc1nc(-c2ccc(NC(=O)NCc3ccc(F)cn3)cc2)cc(=O)[n-]1 ZINC000477430596 502772204 /nfs/dbraw/zinc/77/22/04/502772204.db2.gz HDUYOGZWXVXKJE-UHFFFAOYSA-N -1 3 353.357 3.013 20 0 FGADHM O=C(NCc1ccc([O-])c(Br)c1)c1cncn1-c1ccccc1 ZINC000488691667 502782470 /nfs/dbraw/zinc/78/24/70/502782470.db2.gz ZSTANGQOKMNNCF-UHFFFAOYSA-N -1 3 372.222 3.270 20 0 FGADHM CN(C)c1ccc(S(=O)(=O)[N-]c2cccc(Br)c2)cc1 ZINC000477500447 502789344 /nfs/dbraw/zinc/78/93/44/502789344.db2.gz OXEVXRRLTJMILF-UHFFFAOYSA-N -1 3 355.257 3.316 20 0 FGADHM CN(C)c1ccc(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2)cc1 ZINC000477498368 502790095 /nfs/dbraw/zinc/79/00/95/502790095.db2.gz JFSJFEZSQAEANC-UHFFFAOYSA-N -1 3 360.357 3.452 20 0 FGADHM CCn1cnc(S(=O)(=O)[N-][C@@H]2CCSc3ccc(Cl)cc32)c1 ZINC000474054357 502792021 /nfs/dbraw/zinc/79/20/21/502792021.db2.gz DOUBKHGJXAYRJL-GFCCVEGCSA-N -1 3 357.888 3.072 20 0 FGADHM CCn1cnc(S(=O)(=O)[N-][C@H](c2ccc(F)cc2)C2CCCC2)c1 ZINC000474061738 502794640 /nfs/dbraw/zinc/79/46/40/502794640.db2.gz DIBBTIXBNOSFEO-KRWDZBQOSA-N -1 3 351.447 3.252 20 0 FGADHM COC(=O)[C@@H](CS(=O)(=O)[N-]c1ccc(SC)cc1)c1ccccc1 ZINC000477516407 502795312 /nfs/dbraw/zinc/79/53/12/502795312.db2.gz LIKNSOWNYOHOHF-INIZCTEOSA-N -1 3 365.476 3.107 20 0 FGADHM CN(C)c1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2N(C)C)cc1 ZINC000477517924 502796535 /nfs/dbraw/zinc/79/65/35/502796535.db2.gz UKQPPXCVWXLWIN-UHFFFAOYSA-N -1 3 353.875 3.273 20 0 FGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]CCC(=O)OC(C)C ZINC000470551712 502810862 /nfs/dbraw/zinc/81/08/62/502810862.db2.gz NSVUNDYJJNTFTR-UHFFFAOYSA-N -1 3 359.831 3.015 20 0 FGADHM CCc1ccc([C@H](COC)[N-]S(=O)(=O)c2ccc3ncccc3c2)o1 ZINC000474119983 502812767 /nfs/dbraw/zinc/81/27/67/502812767.db2.gz XLPCETAYSYAYEN-KRWDZBQOSA-N -1 3 360.435 3.056 20 0 FGADHM O=C(Nc1nnc(-c2cc3ccccc3o2)[n-]1)c1cnc(C(F)(F)F)nc1 ZINC000485119233 502817061 /nfs/dbraw/zinc/81/70/61/502817061.db2.gz GHRDVKJDTSMQGI-UHFFFAOYSA-N -1 3 374.282 3.279 20 0 FGADHM O=C(Nc1nc(-c2cc3ccccc3o2)n[n-]1)c1cnc(C(F)(F)F)nc1 ZINC000485119233 502817062 /nfs/dbraw/zinc/81/70/62/502817062.db2.gz GHRDVKJDTSMQGI-UHFFFAOYSA-N -1 3 374.282 3.279 20 0 FGADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)c1cnc(C(F)(F)F)nc1 ZINC000485119233 502817063 /nfs/dbraw/zinc/81/70/63/502817063.db2.gz GHRDVKJDTSMQGI-UHFFFAOYSA-N -1 3 374.282 3.279 20 0 FGADHM COc1cc(F)c([N-]S(=O)(=O)c2cnc3ccccc3c2)cc1F ZINC000509090834 502818428 /nfs/dbraw/zinc/81/84/28/502818428.db2.gz SXOFISWWQDZWOR-UHFFFAOYSA-N -1 3 350.346 3.322 20 0 FGADHM COc1ccc([O-])c(C(=O)NCc2ccc(OC)c(Br)c2)c1 ZINC000512942966 502819378 /nfs/dbraw/zinc/81/93/78/502819378.db2.gz ZQOQKXFGNKPKAZ-UHFFFAOYSA-N -1 3 366.211 3.102 20 0 FGADHM COc1cc(C(=O)NCCOCc2ccc(Cl)cc2)cc(OC)c1[O-] ZINC000495344944 502827848 /nfs/dbraw/zinc/82/78/48/502827848.db2.gz GUQJCKYFTSGFKG-UHFFFAOYSA-N -1 3 365.813 3.009 20 0 FGADHM C[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)C1 ZINC000504953435 502829431 /nfs/dbraw/zinc/82/94/31/502829431.db2.gz KBXXCZPVSQUUMJ-ZDUSSCGKSA-N -1 3 362.426 3.109 20 0 FGADHM COC(=O)c1c(C)csc1[N-]C(=O)C(=O)N(CC(C)C)CC(C)(C)C ZINC000500635648 502830199 /nfs/dbraw/zinc/83/01/99/502830199.db2.gz PWTKIOBEWSYHQJ-UHFFFAOYSA-N -1 3 368.499 3.312 20 0 FGADHM CCc1cc(C(=O)NCc2ncccc2[O-])c2c(CC(C)(C)C)noc2n1 ZINC000505124652 502855593 /nfs/dbraw/zinc/85/55/93/502855593.db2.gz RPQCRILODGFVLO-UHFFFAOYSA-N -1 3 368.437 3.404 20 0 FGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H](C)c1ccccc1 ZINC000513132416 502860006 /nfs/dbraw/zinc/86/00/06/502860006.db2.gz UFCRDTLIUUZHST-LBPRGKRZSA-N -1 3 367.854 3.209 20 0 FGADHM Cc1oc(-c2ccccc2)nc1C(=O)[N-]c1ccccc1SCC(N)=O ZINC000495713356 502860407 /nfs/dbraw/zinc/86/04/07/502860407.db2.gz QFBYQRJJVIRMAV-UHFFFAOYSA-N -1 3 367.430 3.480 20 0 FGADHM COc1c(C)cc(C)cc1S(=O)(=O)[N-]c1ccccc1CCN(C)C ZINC000509253911 502860491 /nfs/dbraw/zinc/86/04/91/502860491.db2.gz JSHZZIWNJKMQLQ-UHFFFAOYSA-N -1 3 362.495 3.217 20 0 FGADHM COCCSc1ccc([C@@H](C)NC(=O)c2ccc3n[n-]nc3c2)cc1 ZINC000505154608 502860618 /nfs/dbraw/zinc/86/06/18/502860618.db2.gz JWXYRQNCRZINJY-GFCCVEGCSA-N -1 3 356.451 3.187 20 0 FGADHM CN(C(=O)c1cc(F)cc2[n-]nnc21)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000489098116 502879065 /nfs/dbraw/zinc/87/90/65/502879065.db2.gz HSRLHEHQDCTKBF-DLBZAZTESA-N -1 3 368.412 3.415 20 0 FGADHM CN(C(=O)c1cc(F)cc2nn[n-]c21)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000489098116 502879068 /nfs/dbraw/zinc/87/90/68/502879068.db2.gz HSRLHEHQDCTKBF-DLBZAZTESA-N -1 3 368.412 3.415 20 0 FGADHM CN(C(=O)c1cc(F)cc2n[n-]nc21)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000489098116 502879071 /nfs/dbraw/zinc/87/90/71/502879071.db2.gz HSRLHEHQDCTKBF-DLBZAZTESA-N -1 3 368.412 3.415 20 0 FGADHM COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)c1c[n-]c(C(=O)OC)c1 ZINC000505295055 502883914 /nfs/dbraw/zinc/88/39/14/502883914.db2.gz COESDTFMYJUWPF-JTQLQIEISA-N -1 3 366.801 3.121 20 0 FGADHM CS(=O)(=O)c1ccc(CNCc2c(F)ccc([O-])c2F)cc1Cl ZINC000513242081 502887709 /nfs/dbraw/zinc/88/77/09/502887709.db2.gz OBKTYDZMFIWLBQ-UHFFFAOYSA-N -1 3 361.797 3.017 20 0 FGADHM Cc1cccc([N-]S(=O)(=O)c2cccc3c2OCO3)c1Br ZINC000509388366 502889734 /nfs/dbraw/zinc/88/97/34/502889734.db2.gz PZZLXWVOHQVUPZ-UHFFFAOYSA-N -1 3 370.224 3.287 20 0 FGADHM O=S(=O)([N-]c1ccc(OC(F)F)cc1F)c1ccc2c(c1)COC2 ZINC000509389642 502890522 /nfs/dbraw/zinc/89/05/22/502890522.db2.gz FVEKFRWZINNDMR-UHFFFAOYSA-N -1 3 359.325 3.258 20 0 FGADHM C[C@H](Cc1ccc(O)cc1)N(C)C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000500917827 502891912 /nfs/dbraw/zinc/89/19/12/502891912.db2.gz GIFALPMNORBCEF-LLVKDONJSA-N -1 3 372.371 3.215 20 0 FGADHM O=C(C[C@H](c1cccs1)n1cccc1)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000509403901 502893787 /nfs/dbraw/zinc/89/37/87/502893787.db2.gz MKSZJAFKUQJRTA-HUUCEWRRSA-N -1 3 356.451 3.164 20 0 FGADHM C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000509425960 502899582 /nfs/dbraw/zinc/89/95/82/502899582.db2.gz ZSPNPJXXNWMOJV-RDDDGLTNSA-N -1 3 360.282 3.219 20 0 FGADHM CC[C@@H](C)[C@@](C)(O)C[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000509428124 502900072 /nfs/dbraw/zinc/90/00/72/502900072.db2.gz BPJVMWUVPLOLET-RNCFNFMXSA-N -1 3 373.824 3.434 20 0 FGADHM CC[C@H](C)[C@@H](O)C[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000509428662 502900310 /nfs/dbraw/zinc/90/03/10/502900310.db2.gz DRLOUFXRJLYNSA-KWQFWETISA-N -1 3 359.797 3.044 20 0 FGADHM Cc1nc(C)c(CC(=O)NC2CCC(C)(c3ccccc3)CC2)c(=O)[n-]1 ZINC000489215098 502902580 /nfs/dbraw/zinc/90/25/80/502902580.db2.gz JGPFUYFEQXDECY-UHFFFAOYSA-N -1 3 353.466 3.358 20 0 FGADHM CC[C@H](C[N-]S(=O)(=O)Cc1c(F)cccc1F)Oc1cccc(F)c1 ZINC000501012574 502912625 /nfs/dbraw/zinc/91/26/25/502912625.db2.gz BBIGZEFHXIFSNU-CYBMUJFWSA-N -1 3 373.396 3.381 20 0 FGADHM Cc1nc([C@@H]2CCCO2)sc1C(=O)[N-]c1n[nH]c(-c2ccccc2F)n1 ZINC000497116225 502921668 /nfs/dbraw/zinc/92/16/68/502921668.db2.gz QYCJIBCOZSLVGT-LBPRGKRZSA-N -1 3 373.413 3.480 20 0 FGADHM CSc1cccc(F)c1C[N-]S(=O)(=O)Cc1noc2ccccc21 ZINC000509589055 502942773 /nfs/dbraw/zinc/94/27/73/502942773.db2.gz SNAZBFNIUCSEGM-UHFFFAOYSA-N -1 3 366.439 3.308 20 0 FGADHM CN(C(=O)CCn1[n-]c(=O)c2ccccc2c1=O)c1cccc2ccccc21 ZINC000509636901 502954058 /nfs/dbraw/zinc/95/40/58/502954058.db2.gz UWDJBEIXPZNWFB-UHFFFAOYSA-N -1 3 373.412 3.308 20 0 FGADHM CC(C)[C@H]1C[C@@H](NC(=O)Cc2ccc(Br)cc2[O-])CCO1 ZINC000497585941 502994102 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CCOC(=O)c1nc(CC)oc1[N-]C(=O)c1sc([C@@H](C)OC)nc1C ZINC000539002858 504442995 /nfs/dbraw/zinc/44/29/95/504442995.db2.gz LFXUONKBCMAIHA-SECBINFHSA-N -1 3 367.427 3.138 20 0 FGADHM Cc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)C3CCCCC3)n2)cc1F ZINC000531856625 504447019 /nfs/dbraw/zinc/44/70/19/504447019.db2.gz NBAKNAWVNGQLSP-GFCCVEGCSA-N -1 3 367.446 3.497 20 0 FGADHM COc1cccc(-c2nc(C(=O)[N-]c3ccc4c(c3)nc(C)n4C)no2)c1 ZINC000531857202 504447852 /nfs/dbraw/zinc/44/78/52/504447852.db2.gz WFDULXMOBQRQRK-UHFFFAOYSA-N -1 3 363.377 3.193 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(NCCc3ccc4ccccc4n3)nc2)n1 ZINC000520267809 504449615 /nfs/dbraw/zinc/44/96/15/504449615.db2.gz AZUFZKNWIYLGNK-UHFFFAOYSA-N -1 3 371.444 3.431 20 0 FGADHM CCCCCS(=O)(=O)[N-][C@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000545362071 504460951 /nfs/dbraw/zinc/46/09/51/504460951.db2.gz OMJYOCRPJOVRDW-GFCCVEGCSA-N -1 3 355.435 3.355 20 0 FGADHM Cc1cccc(-c2c[nH]c([C@H]3CCCN3C(=O)c3cc(C)nc(=O)[n-]3)n2)c1 ZINC000531899610 504464832 /nfs/dbraw/zinc/46/48/32/504464832.db2.gz VWWNCCSKMCVXRY-QGZVFWFLSA-N -1 3 363.421 3.166 20 0 FGADHM COc1ccccc1-c1cccc(NC(=O)NCc2cnc(C)[n-]c2=O)c1 ZINC000542377600 504466987 /nfs/dbraw/zinc/46/69/87/504466987.db2.gz JFRRPVXWFMEZLI-UHFFFAOYSA-N -1 3 364.405 3.488 20 0 FGADHM COc1ccc2oc([C@H](C)NC(=O)NCc3cnc(C)[n-]c3=O)c(C)c2c1 ZINC000542421133 504483515 /nfs/dbraw/zinc/48/35/15/504483515.db2.gz JGEFZCRQKPAHIC-NSHDSACASA-N -1 3 370.409 3.114 20 0 FGADHM CCOC(=O)c1[n-]c(C)nc1NC(=O)CCCc1cc(F)ccc1F ZINC000535615938 504486343 /nfs/dbraw/zinc/48/63/43/504486343.db2.gz HGQCFIMZRMGMDO-UHFFFAOYSA-N -1 3 351.353 3.134 20 0 FGADHM CCOC(=O)c1nc(C)[n-]c1NC(=O)CCCc1cc(F)ccc1F ZINC000535615938 504486346 /nfs/dbraw/zinc/48/63/46/504486346.db2.gz HGQCFIMZRMGMDO-UHFFFAOYSA-N -1 3 351.353 3.134 20 0 FGADHM CC(C)c1ccc(C(=O)Nc2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)s1 ZINC000545453891 504492159 /nfs/dbraw/zinc/49/21/59/504492159.db2.gz IKUKRIXFVPHKHK-GOSISDBHSA-N -1 3 357.435 3.178 20 0 FGADHM Cc1ccc([O-])c(NC(=O)c2cnn(-c3ccc(Br)cc3)c2)n1 ZINC000542444466 504492655 /nfs/dbraw/zinc/49/26/55/504492655.db2.gz INJCWBVKQUMTMO-UHFFFAOYSA-N -1 3 373.210 3.296 20 0 FGADHM COCCOc1ccc(S(=O)(=O)[N-]c2ccc3ncccc3c2)cc1C ZINC000535653691 504495866 /nfs/dbraw/zinc/49/58/66/504495866.db2.gz AJIXCQZRBVUBRZ-UHFFFAOYSA-N -1 3 372.446 3.369 20 0 FGADHM Cc1ccc([O-])c(NC(=O)[C@@H](CC(C)C)NC(=O)c2ccccc2C)n1 ZINC000542462195 504499500 /nfs/dbraw/zinc/49/95/00/504499500.db2.gz STYRQJZQPJJHML-MRXNPFEDSA-N -1 3 355.438 3.187 20 0 FGADHM Cc1c([C@@H](C)NC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)cnn1C ZINC000520468859 504506702 /nfs/dbraw/zinc/50/67/02/504506702.db2.gz ZJYWDDFOGBGNHY-LLVKDONJSA-N -1 3 366.425 3.082 20 0 FGADHM COCc1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)C(F)(F)F)cc1 ZINC000539234707 504507224 /nfs/dbraw/zinc/50/72/24/504507224.db2.gz RRUXFGPTZCPYHT-HNNXBMFYSA-N -1 3 359.369 3.415 20 0 FGADHM Cn1[n-]c(CN(Cc2ccccc2C(F)(F)F)C2CCCC2)nc1=O ZINC000542507922 504518893 /nfs/dbraw/zinc/51/88/93/504518893.db2.gz RSNHMEOYABXKNV-UHFFFAOYSA-N -1 3 354.376 3.072 20 0 FGADHM CCC(=O)N[C@@H](C(=O)N=c1cc(-c2ccccc2C)[n-][nH]1)c1ccccc1 ZINC000539321692 504529363 /nfs/dbraw/zinc/52/93/63/504529363.db2.gz QHEAFUCIGKJGNY-HXUWFJFHSA-N -1 3 362.433 3.013 20 0 FGADHM O=c1nc(Cc2noc([C@H]3CCSC3)n2)[n-]c2scc(C3CC3)c21 ZINC000545575225 504530920 /nfs/dbraw/zinc/53/09/20/504530920.db2.gz PKVULWFVDIEMCL-VIFPVBQESA-N -1 3 360.464 3.469 20 0 FGADHM CN(C)Cc1cccc(NC(=O)c2nn(-c3ccccc3F)cc2[O-])c1 ZINC000532090526 504531266 /nfs/dbraw/zinc/53/12/66/504531266.db2.gz KHJLSOFGSLFJMT-UHFFFAOYSA-N -1 3 354.385 3.031 20 0 FGADHM COc1ccc(CN(C)C)cc1[N-]S(=O)(=O)c1cc(C)sc1C ZINC000548695179 504531420 /nfs/dbraw/zinc/53/14/20/504531420.db2.gz RVRQYJABXUSNBG-UHFFFAOYSA-N -1 3 354.497 3.236 20 0 FGADHM CC[C@@H](CSC)NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000539362103 504541317 /nfs/dbraw/zinc/54/13/17/504541317.db2.gz PZGFCPLAFIPSFT-JTQLQIEISA-N -1 3 369.284 3.162 20 0 FGADHM CC(C)c1nc(-c2nc(-c3ccc([N-]S(C)(=O)=O)cc3)no2)cs1 ZINC000545629974 504547448 /nfs/dbraw/zinc/54/74/48/504547448.db2.gz SSHIOHSGFHFRLL-UHFFFAOYSA-N -1 3 364.452 3.355 20 0 FGADHM Cc1nnc(CC[N-]S(=O)(=O)c2cc3cc(Cl)ccc3s2)s1 ZINC000520662264 504551815 /nfs/dbraw/zinc/55/18/15/504551815.db2.gz YCILASWOJSXASQ-UHFFFAOYSA-N -1 3 373.912 3.236 20 0 FGADHM CCC1(c2nc(-c3cccc([C@@]4(C)NC(=O)[N-]C4=O)c3)no2)CCCC1 ZINC000545651028 504552822 /nfs/dbraw/zinc/55/28/22/504552822.db2.gz OQDPHCOOLJQVII-GOSISDBHSA-N -1 3 354.410 3.013 20 0 FGADHM CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)cc1OC ZINC000520678867 504554755 /nfs/dbraw/zinc/55/47/55/504554755.db2.gz BYMKZHYNGAELHZ-GFCCVEGCSA-N -1 3 363.435 3.218 20 0 FGADHM O=C(N=c1cc2ccccn2[n-]1)N[C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000548771522 504560057 /nfs/dbraw/zinc/56/00/57/504560057.db2.gz AFJNMEWSCPUJPO-YJBOKZPZSA-N -1 3 350.422 3.046 20 0 FGADHM COc1cc2c(cc1F)[n-]cc(C(=O)N[C@@H]1CCC[C@H](SC)C1)c2=O ZINC000539432439 504570162 /nfs/dbraw/zinc/57/01/62/504570162.db2.gz LTSOEXKJOMQTOE-MNOVXSKESA-N -1 3 364.442 3.080 20 0 FGADHM COc1ccc([C@H]2C[C@H]([N-]S(=O)(=O)c3sc(C)nc3C)C2)cc1F ZINC000548851382 504591131 /nfs/dbraw/zinc/59/11/31/504591131.db2.gz ITKBRIHDGZNQLS-JOCQHMNTSA-N -1 3 370.471 3.132 20 0 FGADHM CCCN(C(=O)c1cccc2[n-]nnc21)[C@H](C)CC(=O)Nc1ccccc1 ZINC000548876782 504601545 /nfs/dbraw/zinc/60/15/45/504601545.db2.gz PSMKDRCJUVOKLK-CQSZACIVSA-N -1 3 365.437 3.227 20 0 FGADHM CCCN(C(=O)c1cccc2nn[n-]c21)[C@H](C)CC(=O)Nc1ccccc1 ZINC000548876782 504601550 /nfs/dbraw/zinc/60/15/50/504601550.db2.gz PSMKDRCJUVOKLK-CQSZACIVSA-N -1 3 365.437 3.227 20 0 FGADHM CCCN(C(=O)c1cccc2n[n-]nc21)[C@H](C)CC(=O)Nc1ccccc1 ZINC000548876782 504601557 /nfs/dbraw/zinc/60/15/57/504601557.db2.gz PSMKDRCJUVOKLK-CQSZACIVSA-N -1 3 365.437 3.227 20 0 FGADHM CO[C@H](c1ccccc1F)[C@@H](C)[N-]S(=O)(=O)Cc1ccc(F)cc1F ZINC000542799498 504615023 /nfs/dbraw/zinc/61/50/23/504615023.db2.gz MPARPBYDAADJKD-DIFFPNOSSA-N -1 3 373.396 3.300 20 0 FGADHM Cc1cccc(S(=O)(=O)[N-]CCc2csc(C(C)(C)C)n2)c1F ZINC000542844718 504632299 /nfs/dbraw/zinc/63/22/99/504632299.db2.gz HXYVSPPAWVDTJB-UHFFFAOYSA-N -1 3 356.488 3.409 20 0 FGADHM O=S(=O)([N-][C@H]1CCO[C@H](C2CC2)C1)c1csc(-c2ccccc2)n1 ZINC000545910018 504634955 /nfs/dbraw/zinc/63/49/55/504634955.db2.gz UAEQJTNHBDHKBI-GJZGRUSLSA-N -1 3 364.492 3.046 20 0 FGADHM Cc1nn(-c2ccccc2)c(C)c1C[N-]S(=O)(=O)c1cccc(C)c1F ZINC000542865347 504640499 /nfs/dbraw/zinc/64/04/99/504640499.db2.gz CMUSHEOFDSTSLW-UHFFFAOYSA-N -1 3 373.453 3.415 20 0 FGADHM COc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1cc3ccccc3o1)CCO2 ZINC000545926692 504641224 /nfs/dbraw/zinc/64/12/24/504641224.db2.gz FVKLDLRVQAQKPG-HNNXBMFYSA-N -1 3 359.403 3.244 20 0 FGADHM CC(=O)c1cc(F)c([N-]C(=O)c2cc(-n3cccn3)ccn2)c(F)c1F ZINC000536140321 504645139 /nfs/dbraw/zinc/64/51/39/504645139.db2.gz IWKRFADTGIVZBF-UHFFFAOYSA-N -1 3 360.295 3.140 20 0 FGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCC[C@]2(C)CO)c1Cl ZINC000536154209 504650740 /nfs/dbraw/zinc/65/07/40/504650740.db2.gz FFCDPSVZJQYDON-BXUZGUMPSA-N -1 3 352.283 3.131 20 0 FGADHM C[C@@H]1CCN(C(=O)c2ccnc(N3CCCCC3)n2)c2c([O-])cccc21 ZINC000545954011 504653005 /nfs/dbraw/zinc/65/30/05/504653005.db2.gz RWNSCBAUHSMISY-CQSZACIVSA-N -1 3 352.438 3.327 20 0 FGADHM COc1cc(C(=O)CCC(=O)Nc2ccccc2[O-])cc(OC)c1OC ZINC000539690141 504653427 /nfs/dbraw/zinc/65/34/27/504653427.db2.gz LDJGJOVBEXULOE-UHFFFAOYSA-N -1 3 359.378 3.020 20 0 FGADHM Cn1ccnc1[C@H]1N(C(=O)c2cc([O-])cc(Br)c2)CC1(C)C ZINC000529443336 504677130 /nfs/dbraw/zinc/67/71/30/504677130.db2.gz OHORLEBKSMNVOM-CYBMUJFWSA-N -1 3 364.243 3.112 20 0 FGADHM CC(C)(CNC(=O)c1cc([O-])cc(Br)c1)C1(O)CCCC1 ZINC000529467041 504688179 /nfs/dbraw/zinc/68/81/79/504688179.db2.gz BHLSIZUCEPBKPL-UHFFFAOYSA-N -1 3 356.260 3.216 20 0 FGADHM CCCOc1ccc(Cl)cc1C(=O)[N-]c1nc(C(=O)OC)ns1 ZINC000521254057 504694679 /nfs/dbraw/zinc/69/46/79/504694679.db2.gz ITLVIESJJUALDQ-UHFFFAOYSA-N -1 3 355.803 3.019 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CC[C@@](F)(c3ccccc3F)C2)c1 ZINC000549143604 504701493 /nfs/dbraw/zinc/70/14/93/504701493.db2.gz MCTCPUPSNQOMJM-IBGZPJMESA-N -1 3 360.360 3.201 20 0 FGADHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)C1(c2cc(F)cc(F)c2)CCCC1 ZINC000529523284 504711301 /nfs/dbraw/zinc/71/13/01/504711301.db2.gz YWHGZSBKKTWIJZ-INIZCTEOSA-N -1 3 361.392 3.412 20 0 FGADHM CCC(CC)[C@@H](CC[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)OC ZINC000532619837 504713425 /nfs/dbraw/zinc/71/34/25/504713425.db2.gz KSVOPNAPFNBFGR-CQSZACIVSA-N -1 3 353.406 3.224 20 0 FGADHM O=S(=O)([N-]CCNCc1c(Cl)oc2ccccc21)c1cccs1 ZINC000536379071 504717521 /nfs/dbraw/zinc/71/75/21/504717521.db2.gz RKQUTMJTLKIYOB-UHFFFAOYSA-N -1 3 370.883 3.216 20 0 FGADHM Cc1nc(C)c(CCC(=O)N2[C@H](C)c3ccc(F)cc3C[C@@H]2C)c(=O)[n-]1 ZINC000539894285 504732806 /nfs/dbraw/zinc/73/28/06/504732806.db2.gz GPRHDXLQGADUNM-WCQYABFASA-N -1 3 357.429 3.405 20 0 FGADHM O=C(NCCCc1cccc(C(F)(F)F)c1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000521456755 504741437 /nfs/dbraw/zinc/74/14/37/504741437.db2.gz GFSAOMUVVFDWKW-UHFFFAOYSA-N -1 3 365.355 3.441 20 0 FGADHM Cc1ccccc1-c1cc(=NC(=O)c2ccc(OCC(F)F)nc2)[nH][n-]1 ZINC000536468412 504742034 /nfs/dbraw/zinc/74/20/34/504742034.db2.gz QZFBKRQLWKZKIN-UHFFFAOYSA-N -1 3 358.348 3.098 20 0 FGADHM Cc1ccccc1[C@H](CO)[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000532775374 504756024 /nfs/dbraw/zinc/75/60/24/504756024.db2.gz WKANYXRCJHHLKE-AWEZNQCLSA-N -1 3 359.369 3.026 20 0 FGADHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CCC(Cc2c(F)cccc2F)CC1 ZINC000521643938 504767874 /nfs/dbraw/zinc/76/78/74/504767874.db2.gz SWRVJHKVDOHVAQ-UHFFFAOYSA-N -1 3 373.403 3.433 20 0 FGADHM O=S(=O)([N-]C[C@H]1CCCO[C@H]1c1ccccc1)c1cncc(Cl)c1 ZINC000532854609 504767972 /nfs/dbraw/zinc/76/79/72/504767972.db2.gz KJUFAAVAKHPTIP-PBHICJAKSA-N -1 3 366.870 3.181 20 0 FGADHM COC(=O)c1cc(S(=O)(=O)[N-][C@@H](c2ccccc2)C(C)C)c(C)o1 ZINC000532854271 504767977 /nfs/dbraw/zinc/76/79/77/504767977.db2.gz GXOBMAUXLJIOCK-MRXNPFEDSA-N -1 3 351.424 3.050 20 0 FGADHM C[C@@H]1CC[C@@H](c2ccccc2)N(C(=O)CNC(=O)c2ccc([O-])cc2)C1 ZINC000521662039 504769892 /nfs/dbraw/zinc/76/98/92/504769892.db2.gz WAJQUDJYPKQXJK-BEFAXECRSA-N -1 3 352.434 3.122 20 0 FGADHM O=C(N=c1cc2ccccn2[n-]1)NCc1ccnc(OC2CCCCC2)c1 ZINC000562296518 504776582 /nfs/dbraw/zinc/77/65/82/504776582.db2.gz KZZHQBSOJTWKPP-UHFFFAOYSA-N -1 3 365.437 3.184 20 0 FGADHM CC(C)(C)C1CC([N-]S(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)C1 ZINC000559131896 504787619 /nfs/dbraw/zinc/78/76/19/504787619.db2.gz LVROUMAFEPSBMJ-UHFFFAOYSA-N -1 3 370.902 3.328 20 0 FGADHM CCN(C[C@H]1CCCO1)[C@@H](C(=O)[O-])c1ccc(Br)cc1F ZINC000565101378 504794439 /nfs/dbraw/zinc/79/44/39/504794439.db2.gz HVZJNMIIDHSCAV-BXUZGUMPSA-N -1 3 360.223 3.215 20 0 FGADHM O=C([O-])c1ccc(-c2nc(CN3CCC[C@H]3C3CCOCC3)co2)cc1 ZINC000565107207 504794914 /nfs/dbraw/zinc/79/49/14/504794914.db2.gz OOXXXLDCBUHNHG-SFHVURJKSA-N -1 3 356.422 3.431 20 0 FGADHM O=C([O-])c1ccc(-c2nc(CN3CCC[C@@H]3C3CCOCC3)co2)cc1 ZINC000565107205 504795348 /nfs/dbraw/zinc/79/53/48/504795348.db2.gz OOXXXLDCBUHNHG-GOSISDBHSA-N -1 3 356.422 3.431 20 0 FGADHM CN(C)Cc1ccc(NC(=O)c2n[n-]nc2-c2ccccc2)cc1Cl ZINC000549373532 504803354 /nfs/dbraw/zinc/80/33/54/504803354.db2.gz POCCDEQGEMJPRO-UHFFFAOYSA-N -1 3 355.829 3.439 20 0 FGADHM CC(C)(CNC(=O)c1c[n-]c2ccncc2c1=O)c1cccc(Cl)c1 ZINC000553059823 504816474 /nfs/dbraw/zinc/81/64/74/504816474.db2.gz SLIFDVVFLGEPLT-UHFFFAOYSA-N -1 3 355.825 3.284 20 0 FGADHM COc1ccc(NC(=O)c2c[n-]c3cc(F)c(OC)cc3c2=O)c(C)c1 ZINC000559278171 504818190 /nfs/dbraw/zinc/81/81/90/504818190.db2.gz GWPGKDRJXBDJJJ-UHFFFAOYSA-N -1 3 356.353 3.245 20 0 FGADHM CC1(C)[C@@H](NC(=O)c2cc(=O)[n-]c(C3CC3)n2)C[C@@H]1OCc1ccccc1 ZINC000565194846 504822837 /nfs/dbraw/zinc/82/28/37/504822837.db2.gz LCFVUJWNEVOYCN-IRXDYDNUSA-N -1 3 367.449 3.173 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCCC[C@@H]3[C@@H]3CCC[C@H]3O)nc2)n1 ZINC000556242203 504826982 /nfs/dbraw/zinc/82/69/82/504826982.db2.gz MZRHJLIILXXFIO-RCCFBDPRSA-N -1 3 368.481 3.327 20 0 FGADHM O=C(Nc1nc(-c2ccc(O)cc2)cs1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000553144191 504837258 /nfs/dbraw/zinc/83/72/58/504837258.db2.gz ZXJHSBDFKPJVBV-UHFFFAOYSA-N -1 3 354.391 3.141 20 0 FGADHM CC(C)[C@@H]1N(C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)CC12CCOCC2 ZINC000565291902 504845755 /nfs/dbraw/zinc/84/57/55/504845755.db2.gz QYWXWEACLCYOQA-SFHVURJKSA-N -1 3 359.466 3.383 20 0 FGADHM CN(Cc1ccccc1)[C@@H](CN=c1[n-]nc(C2CCOCC2)s1)C1CC1 ZINC000549557772 504850025 /nfs/dbraw/zinc/85/00/25/504850025.db2.gz OZCKCOHAQNGPIA-SFHVURJKSA-N -1 3 372.538 3.177 20 0 FGADHM CO[C@H](c1ccccc1F)[C@@H](C)[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000553204257 504851245 /nfs/dbraw/zinc/85/12/45/504851245.db2.gz KRCCHPRGDRDTAT-HWPZZCPQSA-N -1 3 359.369 3.158 20 0 FGADHM O=S(=O)([N-][C@@H]1CC12CCOCC2)c1c(Cl)ccc2ccccc21 ZINC000562551099 504856150 /nfs/dbraw/zinc/85/61/50/504856150.db2.gz BQJRISJQENXFOA-OAHLLOKOSA-N -1 3 351.855 3.341 20 0 FGADHM COC[C@@H]([N-]S(=O)(=O)c1c(C)n(C)c2ccccc21)c1ccc(C)o1 ZINC000556376451 504857895 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O=C(NCc1ccc([O-])c(Br)c1)C1(c2ccccc2)CC(=O)C1 ZINC000563234951 505083288 /nfs/dbraw/zinc/08/32/88/505083288.db2.gz WXZNKUKGUYZELL-UHFFFAOYSA-N -1 3 374.234 3.072 20 0 FGADHM Cc1ccc(CN(C[C@@H](O)COc2ccc(C(=O)[O-])cc2)C2CC2)cc1C ZINC000563281958 505094858 /nfs/dbraw/zinc/09/48/58/505094858.db2.gz GQLKWIMHZVWEMV-HXUWFJFHSA-N -1 3 369.461 3.406 20 0 FGADHM C[C@H](NC(=O)[C@H](C)N1CC[C@H](C)[C@H](C(=O)[O-])C1)c1ccc2c(c1)CCCC2 ZINC000566221080 505116591 /nfs/dbraw/zinc/11/65/91/505116591.db2.gz NHGSSCNTXVBAPY-ZKNHNOBHSA-N -1 3 372.509 3.174 20 0 FGADHM CCOc1cc2nccc(N3C[C@@H](OC)C[C@@H]3CC(=O)[O-])c2cc1OCC ZINC000566296624 505137256 /nfs/dbraw/zinc/13/72/56/505137256.db2.gz FAFQEVQAJSTZRH-KGLIPLIRSA-N -1 3 374.437 3.101 20 0 FGADHM COc1cc(F)c(CNCC[C@H](Cc2ccccc2)C(=O)[O-])cc1OC ZINC000566300536 505138925 /nfs/dbraw/zinc/13/89/25/505138925.db2.gz MPBXTFCXHLEXQC-OAHLLOKOSA-N -1 3 361.413 3.266 20 0 FGADHM CN(CC12CC3CC(CC(C3)C1)C2)C(=O)c1c[n-]c2ccncc2c1=O ZINC000557457135 505139743 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CC[C@@H](CNC(=O)N=c1cc2ccccn2[n-]1)Oc1ccccc1Cl ZINC000554411061 505169024 /nfs/dbraw/zinc/16/90/24/505169024.db2.gz BDAHZAOIMIBBSM-AWEZNQCLSA-N -1 3 358.829 3.389 20 0 FGADHM CO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1NC(=O)N=c1cc2ccccn2[n-]1 ZINC000554417019 505170510 /nfs/dbraw/zinc/17/05/10/505170510.db2.gz ZJCCQBVXOSHKEQ-QXAKKESOSA-N -1 3 364.449 3.229 20 0 FGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CC12CCCCC2 ZINC000560734205 505172899 /nfs/dbraw/zinc/17/28/99/505172899.db2.gz DPQFAMLCPAVAAA-AWEZNQCLSA-N -1 3 357.859 3.128 20 0 FGADHM O=C(N=c1cc2ccccn2[n-]1)N1CCO[C@@H](c2ccccc2Cl)C1 ZINC000554439932 505174722 /nfs/dbraw/zinc/17/47/22/505174722.db2.gz HGRXZGKJRLAQPW-MRXNPFEDSA-N -1 3 356.813 3.015 20 0 FGADHM O=C(CNC(=O)c1ccc([O-])cc1)N[C@@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000560761075 505180777 /nfs/dbraw/zinc/18/07/77/505180777.db2.gz LOCLCKPMQYTGEH-DOTOQJQBSA-N -1 3 372.852 3.228 20 0 FGADHM C[C@H](c1nc(-c2ccc([O-])c3ccccc23)no1)n1nnnc1C(C)(C)C ZINC000551256799 505186731 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C[C@@H](NC(=O)c1cn[n-]c1-c1ccccn1)c1nc(C(F)(F)F)cs1 ZINC000566593064 505214960 /nfs/dbraw/zinc/21/49/60/505214960.db2.gz VLRVHJGNJDZTKT-MRVPVSSYSA-N -1 3 367.356 3.438 20 0 FGADHM O=S(=O)([N-][C@H]1CSc2ccccc21)c1cccnc1C(F)(F)F ZINC000557820869 505238503 /nfs/dbraw/zinc/23/85/03/505238503.db2.gz OQMWRSMFHHXLAD-JTQLQIEISA-N -1 3 360.382 3.226 20 0 FGADHM CCOc1cc(C(=O)N2CCN(C3CCC3)C[C@@H](C)C2)cc(Cl)c1[O-] ZINC000557837361 505242442 /nfs/dbraw/zinc/24/24/42/505242442.db2.gz LEEGPGNMBVMNKV-CYBMUJFWSA-N -1 3 366.889 3.391 20 0 FGADHM COc1ccc(S(=O)(=O)[N-][C@H](C)CCOCc2ccccc2)c(F)c1 ZINC000557863497 505250046 /nfs/dbraw/zinc/25/00/46/505250046.db2.gz JPNJWTRRFMHNLD-CQSZACIVSA-N -1 3 367.442 3.108 20 0 FGADHM CC[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(-c3csc(C)n3)s2)CCO1 ZINC000563845495 505255582 /nfs/dbraw/zinc/25/55/82/505255582.db2.gz BGKIGPCINQKSSR-VXGBXAGGSA-N -1 3 372.537 3.416 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N3CCN(C)c4ccccc43)c[n-]c12 ZINC000561128735 505257735 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O=C(c1cc(OCc2ccccc2)ccc1[O-])N1CC[C@H](O)CC12CCC2 ZINC000583375194 506745397 /nfs/dbraw/zinc/74/53/97/506745397.db2.gz MEHZBMOKKMSOAV-KRWDZBQOSA-N -1 3 367.445 3.491 20 0 FGADHM CCCS(=O)(=O)[N-]c1cc(NC(=O)C[C@@H]2CC[C@@H]3C[C@@H]32)c(F)cc1F ZINC000583421602 506768808 /nfs/dbraw/zinc/76/88/08/506768808.db2.gz XSLSCNUVTWBBHC-WOPDTQHZSA-N -1 3 372.437 3.491 20 0 FGADHM O=C(CCc1cncs1)Nc1cc(I)ccc1[O-] ZINC000590316276 506792705 /nfs/dbraw/zinc/79/27/05/506792705.db2.gz IOGDHEZEABCJIH-UHFFFAOYSA-N -1 3 374.203 3.025 20 0 FGADHM CC(C)(C)OC(=O)C[C@H]1CCCCN1C(=O)Cc1ccc([O-])c(F)c1 ZINC000593847847 506800102 /nfs/dbraw/zinc/80/01/02/506800102.db2.gz VJSLPSPGQYHFHV-CQSZACIVSA-N -1 3 351.418 3.187 20 0 FGADHM CSc1ccc([O-])c(C(=O)N2CCO[C@]3(CCc4ccccc43)C2)c1 ZINC000612911226 506812508 /nfs/dbraw/zinc/81/25/08/506812508.db2.gz GWBAGQDQTQJGTD-HXUWFJFHSA-N -1 3 355.459 3.428 20 0 FGADHM O=S(=O)([N-][C@H]1CCCN(c2ccccc2)C1)c1cccc(Cl)c1F ZINC000604406921 506822011 /nfs/dbraw/zinc/82/20/11/506822011.db2.gz BGEHLDHGPIFLAC-ZDUSSCGKSA-N -1 3 368.861 3.426 20 0 FGADHM CCOC(=O)c1c(C)c(C(C)=O)sc1[N-]C(=O)c1ccc(OC)o1 ZINC000593960745 506852528 /nfs/dbraw/zinc/85/25/28/506852528.db2.gz CWIORQGHJPTXSX-UHFFFAOYSA-N -1 3 351.380 3.290 20 0 FGADHM CCc1ccc([C@@H]([N-]S(=O)(=O)c2ccc(C(=O)OC)o2)C(C)C)cc1 ZINC000609351680 506862692 /nfs/dbraw/zinc/86/26/92/506862692.db2.gz NYQSHJLXMAKEPX-KRWDZBQOSA-N -1 3 365.451 3.304 20 0 FGADHM CCOC(=O)Cc1ccccc1NC(=O)c1ccc2nc(OCC)[n-]c2c1 ZINC000590667794 506901834 /nfs/dbraw/zinc/90/18/34/506901834.db2.gz BAKLJZCQIOOHCP-UHFFFAOYSA-N -1 3 367.405 3.320 20 0 FGADHM CCOC(=O)Cc1ccccc1NC(=O)c1ccc2[n-]c(OCC)nc2c1 ZINC000590667794 506901838 /nfs/dbraw/zinc/90/18/38/506901838.db2.gz BAKLJZCQIOOHCP-UHFFFAOYSA-N -1 3 367.405 3.320 20 0 FGADHM CCc1cc(C(=O)Nc2ccc(O[C@H](C)C(=O)OC)c(F)c2)ccc1[O-] ZINC000600326213 506902113 /nfs/dbraw/zinc/90/21/13/506902113.db2.gz JNAXYWUMILJPDZ-LLVKDONJSA-N -1 3 361.369 3.286 20 0 FGADHM Cc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)c3ccc(Cl)cc3)n2)o1 ZINC000583672916 506907206 /nfs/dbraw/zinc/90/72/06/506907206.db2.gz GHCFDZCNSLRFRF-JTQLQIEISA-N -1 3 367.814 3.331 20 0 FGADHM COc1ccc(-c2nsc([N-]C(=O)c3cnc4ccccc4n3)n2)cc1 ZINC000590682411 506907462 /nfs/dbraw/zinc/90/74/62/506907462.db2.gz MYTRBRUXFKVTQI-UHFFFAOYSA-N -1 3 363.402 3.409 20 0 FGADHM CC(=O)c1ccc(C(=O)N2CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C2)cc1[O-] ZINC000600359837 506922817 /nfs/dbraw/zinc/92/28/17/506922817.db2.gz SRHWIEQDSGIGFW-DOMZBBRYSA-N -1 3 361.438 3.035 20 0 FGADHM CCn1c2ccccc2n(CC(=O)Nc2cc(Cl)cc(C)c2[O-])c1=O ZINC000604901984 506982792 /nfs/dbraw/zinc/98/27/92/506982792.db2.gz OYNCCEDGFKAYRA-UHFFFAOYSA-N -1 3 359.813 3.129 20 0 FGADHM CCN(CC)C(=O)CCCC(=O)N=c1cc(-c2cccc(Cl)c2)[n-][nH]1 ZINC000590837945 506990801 /nfs/dbraw/zinc/99/08/01/506990801.db2.gz KGZVOZRRQKVAQA-UHFFFAOYSA-N -1 3 362.861 3.129 20 0 FGADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CC(Oc2ccncc2)C1 ZINC000594178179 506991475 /nfs/dbraw/zinc/99/14/75/506991475.db2.gz ZEWAYVRTBCXYDP-UHFFFAOYSA-N -1 3 360.413 3.281 20 0 FGADHM Fc1cccc(-n2ccc(CSc3n[n-]c(-c4ccccn4)n3)n2)c1 ZINC000604932913 506992390 /nfs/dbraw/zinc/99/23/90/506992390.db2.gz ANLSDLFPVFJQKY-UHFFFAOYSA-N -1 3 352.398 3.484 20 0 FGADHM Cc1nc(-c2ccc(NC(=O)NC[C@@H](O)CC(C)(C)C)cc2)cc(=O)[n-]1 ZINC000605010233 507034335 /nfs/dbraw/zinc/03/43/35/507034335.db2.gz WRFUTLWIQSMKSV-HNNXBMFYSA-N -1 3 358.442 3.076 20 0 FGADHM CCOC(=O)C1CCC(CC(=O)NCc2ccc([O-])c3ncccc23)CC1 ZINC000597732588 507080237 /nfs/dbraw/zinc/08/02/37/507080237.db2.gz UKQSRHKVLYINSE-UHFFFAOYSA-N -1 3 370.449 3.316 20 0 FGADHM CC(C)(C)OC(=O)CC[C@@H]1CCCCN1C(=O)c1ccc2[nH][n-]c(=O)c2c1 ZINC000597777889 507096837 /nfs/dbraw/zinc/09/68/37/507096837.db2.gz GPBBTYZMMHPEDC-AWEZNQCLSA-N -1 3 373.453 3.385 20 0 FGADHM CCOC(=O)CCc1ccc(NC(=O)c2c[n-]nc2-c2ccncc2)cc1 ZINC000610090595 507097341 /nfs/dbraw/zinc/09/73/41/507097341.db2.gz FCMZQOREZVOWDL-UHFFFAOYSA-N -1 3 364.405 3.220 20 0 FGADHM CCOC(=O)CCc1ccc(NC(=O)c2cn[n-]c2-c2ccncc2)cc1 ZINC000610090595 507097346 /nfs/dbraw/zinc/09/73/46/507097346.db2.gz FCMZQOREZVOWDL-UHFFFAOYSA-N -1 3 364.405 3.220 20 0 FGADHM CCOC(=O)c1[n-]c(C)nc1NC(=O)[C@@H](C)Oc1cc(C)ccc1Cl ZINC000610109189 507103217 /nfs/dbraw/zinc/10/32/17/507103217.db2.gz DJZCAOWCLQLTGK-SNVBAGLBSA-N -1 3 365.817 3.263 20 0 FGADHM CCOC(=O)c1nc(C)[n-]c1NC(=O)[C@@H](C)Oc1cc(C)ccc1Cl ZINC000610109189 507103221 /nfs/dbraw/zinc/10/32/21/507103221.db2.gz DJZCAOWCLQLTGK-SNVBAGLBSA-N -1 3 365.817 3.263 20 0 FGADHM CC(C)c1ccccc1OCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000600781748 507118000 /nfs/dbraw/zinc/11/80/00/507118000.db2.gz KPTOGBBEMBVTMS-UHFFFAOYSA-N -1 3 355.406 3.446 20 0 FGADHM C[C@@H](Cc1ccsc1)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000584057531 507128223 /nfs/dbraw/zinc/12/82/23/507128223.db2.gz IVRHDAHKHCMOFA-NSHDSACASA-N -1 3 354.472 3.371 20 0 FGADHM CCOC[C@@H]1CCCN([C@@H](C(=O)[O-])c2cccc(Br)c2)C1 ZINC000584058195 507128413 /nfs/dbraw/zinc/12/84/13/507128413.db2.gz LRWMCNMGRMOXQU-IUODEOHRSA-N -1 3 356.260 3.323 20 0 FGADHM CCOC[C@H]1CCCN([C@H](C(=O)[O-])c2cccc(Br)c2)C1 ZINC000584058197 507128969 /nfs/dbraw/zinc/12/89/69/507128969.db2.gz LRWMCNMGRMOXQU-WFASDCNBSA-N -1 3 356.260 3.323 20 0 FGADHM CCOC(=O)c1nnc([N-]C(=O)c2csc(C(F)(F)F)c2)s1 ZINC000600818440 507135357 /nfs/dbraw/zinc/13/53/57/507135357.db2.gz FZBOUPPUTVADCL-UHFFFAOYSA-N -1 3 351.331 3.047 20 0 FGADHM O=C(Nc1cc(F)cc(Cl)c1[O-])C(C[C@H]1COCCO1)C(F)(F)F ZINC000613592331 507171999 /nfs/dbraw/zinc/17/19/99/507171999.db2.gz XBNOCKHFWWVXEE-DTWKUNHWSA-N -1 3 371.714 3.107 20 0 FGADHM O=C(Cc1csc(NC(=O)c2cccc([O-])c2)n1)NCC1CCCCC1 ZINC000605398771 507173559 /nfs/dbraw/zinc/17/35/59/507173559.db2.gz CLPWUIKPIBMPLO-UHFFFAOYSA-N -1 3 373.478 3.340 20 0 FGADHM Cc1noc(C)c1NC(=O)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O ZINC000605403470 507177469 /nfs/dbraw/zinc/17/74/69/507177469.db2.gz AKWOYXFCGKKXJE-UHFFFAOYSA-N -1 3 367.283 3.284 20 0 FGADHM Cc1noc(C)c1NC(=O)c1cnc2c(OC(F)(F)F)cccc2c1[O-] ZINC000605403470 507177473 /nfs/dbraw/zinc/17/74/73/507177473.db2.gz AKWOYXFCGKKXJE-UHFFFAOYSA-N -1 3 367.283 3.284 20 0 FGADHM O=S(=O)([N-][C@H](c1ccccc1)C1CC1)c1ccc(Br)cn1 ZINC000605436739 507193181 /nfs/dbraw/zinc/19/31/81/507193181.db2.gz DTOCDICFFBORDJ-OAHLLOKOSA-N -1 3 367.268 3.274 20 0 FGADHM CCOc1cc(C(=O)N2CCc3ccccc3[C@H]2CN)cc(Cl)c1[O-] ZINC000584173473 507193677 /nfs/dbraw/zinc/19/36/77/507193677.db2.gz DCPJKWHXKFJTKK-MRXNPFEDSA-N -1 3 360.841 3.143 20 0 FGADHM COc1ccc(C(=O)Nc2ccc(F)c([N-]S(C)(=O)=O)c2)c(Cl)c1 ZINC000594580385 507193932 /nfs/dbraw/zinc/19/39/32/507193932.db2.gz GQHDUKCUGJYOMW-UHFFFAOYSA-N -1 3 372.805 3.112 20 0 FGADHM COc1ccccc1-c1cc(=NC(=O)c2ccccc2OC(F)F)[nH][n-]1 ZINC000591448397 507254784 /nfs/dbraw/zinc/25/47/84/507254784.db2.gz FJMWQCXHTMQQBD-UHFFFAOYSA-N -1 3 359.332 3.361 20 0 FGADHM COc1ccccc1C(=O)Nc1cc(I)ccc1[O-] ZINC000610486325 507258229 /nfs/dbraw/zinc/25/82/29/507258229.db2.gz ROPAQFJLQUXLRF-UHFFFAOYSA-N -1 3 369.158 3.258 20 0 FGADHM O=C(Nc1cc(I)ccc1[O-])C1(C(F)(F)F)CC1 ZINC000610490646 507259745 /nfs/dbraw/zinc/25/97/45/507259745.db2.gz FRKPHWAQISKORY-UHFFFAOYSA-N -1 3 371.096 3.278 20 0 FGADHM CC(C)([N-]S(=O)(=O)c1ccc(F)cc1Cl)C(=O)Nc1ccccc1 ZINC000594775111 507277108 /nfs/dbraw/zinc/27/71/08/507277108.db2.gz OGEQTRYQDGOMNB-UHFFFAOYSA-N -1 3 370.833 3.175 20 0 FGADHM C[C@@H]1Oc2ccccc2[C@H]1[N-]S(=O)(=O)c1ccccc1-c1ccno1 ZINC000584343194 507292043 /nfs/dbraw/zinc/29/20/43/507292043.db2.gz CXPSIDAXSDXMPH-SGTLLEGYSA-N -1 3 356.403 3.142 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)c1c2ccccc2sc1C(=O)OC)C1CC1 ZINC000594857299 507298295 /nfs/dbraw/zinc/29/82/95/507298295.db2.gz HPIDXZDBHTZMGI-LBPRGKRZSA-N -1 3 353.465 3.155 20 0 FGADHM COC(=O)c1occc1C[N-]S(=O)(=O)c1cc(C(C)C)ccc1Cl ZINC000594859491 507298390 /nfs/dbraw/zinc/29/83/90/507298390.db2.gz FIOCUKWRJZIIKM-UHFFFAOYSA-N -1 3 371.842 3.322 20 0 FGADHM CSc1ccc([O-])c(C(=O)N2CCO[C@@H](COc3ccccc3)C2)c1 ZINC000613923237 507302999 /nfs/dbraw/zinc/30/29/99/507302999.db2.gz GGLQYZDTSMEZGY-OAHLLOKOSA-N -1 3 359.447 3.034 20 0 FGADHM COC[C@H]([N-]S(=O)(=O)c1ccc(OC)cc1Cl)c1ccccc1 ZINC000584461979 507359785 /nfs/dbraw/zinc/35/97/85/507359785.db2.gz JIOLVVDTWHWHGY-HNNXBMFYSA-N -1 3 355.843 3.015 20 0 FGADHM O=C(Cc1cncc([O-])c1)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000584479951 507368706 /nfs/dbraw/zinc/36/87/06/507368706.db2.gz MVGOCWFQVHQBAX-GFCCVEGCSA-N -1 3 366.248 3.032 20 0 FGADHM CN(C)C1(C[N-]S(=O)(=O)c2cc(F)c(F)cc2F)CCCCCC1 ZINC000591813752 507374256 /nfs/dbraw/zinc/37/42/56/507374256.db2.gz HAGMTGPGGAGJNX-UHFFFAOYSA-N -1 3 364.433 3.037 20 0 FGADHM CC(C)(NC(=O)c1ccc([N-]S(C)(=O)=O)cc1)c1cccc(Cl)c1 ZINC000606378432 507383968 /nfs/dbraw/zinc/38/39/68/507383968.db2.gz CPQGDLCTMGPHEI-UHFFFAOYSA-N -1 3 366.870 3.377 20 0 FGADHM O=C(c1ccc(F)cc1)C1CCN(C(=O)c2ccc3[nH][n-]c(=O)c3c2)CC1 ZINC000614179353 507397178 /nfs/dbraw/zinc/39/71/78/507397178.db2.gz BWMCPAYWHZVDLI-UHFFFAOYSA-N -1 3 367.380 3.143 20 0 FGADHM COC(=O)C(C)(C)[C@H](NC(=O)c1cccc(OC)c1[O-])c1ccccc1 ZINC000610861285 507418433 /nfs/dbraw/zinc/41/84/33/507418433.db2.gz WUCKYSRMWVSRJL-QGZVFWFLSA-N -1 3 357.406 3.071 20 0 FGADHM CC(C)n1nccc1C(=O)Nc1cc(I)ccc1[O-] ZINC000610860622 507418491 /nfs/dbraw/zinc/41/84/91/507418491.db2.gz RHRZOSQGJYXJOM-UHFFFAOYSA-N -1 3 371.178 3.027 20 0 FGADHM CCOC(=O)c1nnc([N-]C(=O)c2ccnc(Oc3ccccc3)c2)s1 ZINC000610895416 507435101 /nfs/dbraw/zinc/43/51/01/507435101.db2.gz LLDQSIZRRAAGER-UHFFFAOYSA-N -1 3 370.390 3.154 20 0 FGADHM Cc1nc([C@](C)([N-]S(=O)(=O)c2ccc(C(C)(C)C)s2)C2CC2)no1 ZINC000584697556 507456482 /nfs/dbraw/zinc/45/64/82/507456482.db2.gz CTYPEZJLHWPTAE-MRXNPFEDSA-N -1 3 369.512 3.341 20 0 FGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@H](CC1CC1)c1ccccc1 ZINC000611023119 507484738 /nfs/dbraw/zinc/48/47/38/507484738.db2.gz KACJRQNJFWCJFK-CQSZACIVSA-N -1 3 365.476 3.354 20 0 FGADHM COC(=O)c1cc(CN[C@@H](C(=O)[O-])c2cc(C)cc(C)c2)n2c1CCCC2 ZINC000598589419 507508006 /nfs/dbraw/zinc/50/80/06/507508006.db2.gz MRSGKMCCAXWXJU-LJQANCHMSA-N -1 3 370.449 3.143 20 0 FGADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]CC1CC(C)C1 ZINC000598623921 507520903 /nfs/dbraw/zinc/52/09/03/507520903.db2.gz UDRUBLUIOAFLRE-UHFFFAOYSA-N -1 3 353.465 3.012 20 0 FGADHM CCc1cc([N-]C(=O)c2nc(C(C)C)n(-c3ccccc3Cl)n2)no1 ZINC000606888647 507543688 /nfs/dbraw/zinc/54/36/88/507543688.db2.gz OEJJXYOWYROCIW-UHFFFAOYSA-N -1 3 359.817 3.269 20 0 FGADHM CCOc1ccc(Br)cc1S(=O)(=O)[N-]C[C@H](C)C(C)C ZINC000606908144 507552622 /nfs/dbraw/zinc/55/26/22/507552622.db2.gz LAQPLWAKMHOHHL-NSHDSACASA-N -1 3 364.305 3.418 20 0 FGADHM C[S@](=O)[C@H]1CCC[C@H](NC(=O)CCc2ccc3ccccc3c2[O-])C1 ZINC000598750578 507581142 /nfs/dbraw/zinc/58/11/42/507581142.db2.gz FNFGAHKHLUXKCB-TZPNTHKFSA-N -1 3 359.491 3.284 20 0 FGADHM COC(=O)[C@H](NCc1cc([O-])ccc1Br)c1ccccc1F ZINC000614652996 507604177 /nfs/dbraw/zinc/60/41/77/507604177.db2.gz UDSJUPNPHAYSBD-OAHLLOKOSA-N -1 3 368.202 3.298 20 0 FGADHM CCOC(=O)[C@H](NC(=O)Cc1ccc([O-])c(F)c1)C1CCCCCC1 ZINC000598796907 507605773 /nfs/dbraw/zinc/60/57/73/507605773.db2.gz QDZWTJRLIYEJAO-GOSISDBHSA-N -1 3 351.418 3.092 20 0 FGADHM CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)c(C)c2Cl)cn1C ZINC000592353957 507615164 /nfs/dbraw/zinc/61/51/64/507615164.db2.gz XDELMEFRQHEDMC-UHFFFAOYSA-N -1 3 370.858 3.273 20 0 FGADHM CC[C@H](NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)C1CCCCC1 ZINC000586902387 507702637 /nfs/dbraw/zinc/70/26/37/507702637.db2.gz POZMPNAOLJIQTM-IBGZPJMESA-N -1 3 373.497 3.219 20 0 FGADHM CCSc1nnc([N-]C(=O)c2cc(N3CCCC3=O)ccc2F)s1 ZINC000607441347 507734374 /nfs/dbraw/zinc/73/43/74/507734374.db2.gz RYKJOJHGCJCCHL-UHFFFAOYSA-N -1 3 366.443 3.168 20 0 FGADHM COC1CCC(C(=O)Nc2nnc(-c3ccc4ccccc4n3)[n-]2)CC1 ZINC000615118542 507759572 /nfs/dbraw/zinc/75/95/72/507759572.db2.gz BSGCGTSCUVGRIH-UHFFFAOYSA-N -1 3 351.410 3.164 20 0 FGADHM COC1CCC(C(=O)Nc2nc(-c3ccc4ccccc4n3)n[n-]2)CC1 ZINC000615118542 507759579 /nfs/dbraw/zinc/75/95/79/507759579.db2.gz BSGCGTSCUVGRIH-UHFFFAOYSA-N -1 3 351.410 3.164 20 0 FGADHM COC1CCC(C(=O)Nc2n[n-]c(-c3ccc4ccccc4n3)n2)CC1 ZINC000615118542 507759585 /nfs/dbraw/zinc/75/95/85/507759585.db2.gz BSGCGTSCUVGRIH-UHFFFAOYSA-N -1 3 351.410 3.164 20 0 FGADHM COC(=O)c1cc(Cl)cc(NC(=O)[C@H]2OCCc3ccccc32)c1[O-] ZINC000588095171 507760050 /nfs/dbraw/zinc/76/00/50/507760050.db2.gz HNWSBGCLYLZNLY-INIZCTEOSA-N -1 3 361.781 3.085 20 0 FGADHM COC(=O)c1cc(Cl)cc(NC(=O)[C@@](C)(OC)c2ccccc2)c1[O-] ZINC000588095098 507760235 /nfs/dbraw/zinc/76/02/35/507760235.db2.gz BZLRBNOMSYKLEW-SFHVURJKSA-N -1 3 363.797 3.333 20 0 FGADHM COC(=O)c1cc(Cl)cc(NC(=O)c2sc3nccn3c2C)c1[O-] ZINC000588097222 507760884 /nfs/dbraw/zinc/76/08/84/507760884.db2.gz CENHOZVGSKGKBJ-UHFFFAOYSA-N -1 3 365.798 3.102 20 0 FGADHM COC(=O)c1cc(Cl)cc(NC(=O)c2ccc3nsnc3c2)c1[O-] ZINC000588099784 507762376 /nfs/dbraw/zinc/76/23/76/507762376.db2.gz ANNBLARYTPFBFK-UHFFFAOYSA-N -1 3 363.782 3.089 20 0 FGADHM O=C(NC1(c2cccc(C(F)(F)F)c2)CC1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000607641377 507781477 /nfs/dbraw/zinc/78/14/77/507781477.db2.gz IBRSWAQVENWWGX-UHFFFAOYSA-N -1 3 374.318 3.008 20 0 FGADHM Cc1ccc(F)cc1-c1n[n-]c(=NC(=O)N(CCN(C)C)C(C)C)s1 ZINC000471374242 514855257 /nfs/dbraw/zinc/85/52/57/514855257.db2.gz ZLSGBKYXGKERQF-UHFFFAOYSA-N -1 3 365.478 3.457 20 0 FGADHM O=C(N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1)c1cccc(-c2nc[nH]n2)c1 ZINC000503571482 515083840 /nfs/dbraw/zinc/08/38/40/515083840.db2.gz JVPBMOWJYFPLMY-UHFFFAOYSA-N -1 3 366.331 3.392 20 0 FGADHM CCSc1n[n-]c(=NC(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)s1 ZINC000472181043 515158260 /nfs/dbraw/zinc/15/82/60/515158260.db2.gz GPQIGPJJBIXRHW-QWHCGFSZSA-N -1 3 363.512 3.217 20 0 FGADHM C[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@H]2C(=O)N=c2cc(OC(F)F)n(C)[n-]2)o1 ZINC000490941907 515337354 /nfs/dbraw/zinc/33/73/54/515337354.db2.gz PTQJFUWTNTVYBY-VPOLOUISSA-N -1 3 351.353 3.480 20 0 FGADHM CC(C)c1cc(C(=O)N=c2cc(OC(F)F)n(C)[n-]2)nn1C(C)(C)C ZINC000490934872 515338131 /nfs/dbraw/zinc/33/81/31/515338131.db2.gz GPIRBJWQAJUDSV-UHFFFAOYSA-N -1 3 355.389 3.349 20 0 FGADHM CN(C)Cc1c2ccccc2oc1C(=O)N=c1cc(OC(F)F)n(C)[n-]1 ZINC000490938990 515338453 /nfs/dbraw/zinc/33/84/53/515338453.db2.gz DYHPZFADZDFTPG-UHFFFAOYSA-N -1 3 364.352 3.082 20 0 FGADHM Cn1[n-]c(=NC(=O)c2cccc(-c3cscn3)c2)cc1OC(F)F ZINC000490974601 515347587 /nfs/dbraw/zinc/34/75/87/515347587.db2.gz UGAZGMYILSSJTA-UHFFFAOYSA-N -1 3 350.350 3.397 20 0 FGADHM Cn1[n-]c(=NC(=O)c2cc(Br)ccc2F)cc1OC(F)F ZINC000491034881 515359826 /nfs/dbraw/zinc/35/98/26/515359826.db2.gz KZSXTOCSWNSUDG-UHFFFAOYSA-N -1 3 364.121 3.175 20 0 FGADHM Cc1ccccc1-c1cc(=NC(=O)[C@H](C)Oc2cccc(CO)c2)[nH][n-]1 ZINC000486208463 515380401 /nfs/dbraw/zinc/38/04/01/515380401.db2.gz TVHRWYIMCLZXBV-AWEZNQCLSA-N -1 3 351.406 3.283 20 0 FGADHM C[C@@H]1CSCCN(C(=O)N=c2cc3ccc(Br)cn3[n-]2)C1 ZINC000482085822 515571292 /nfs/dbraw/zinc/57/12/92/515571292.db2.gz VRZPHJFGUBPYQI-JTQLQIEISA-N -1 3 369.288 3.314 20 0 FGADHM CC[C@H]1CN(C(=O)N=c2cc3ccc(Br)cn3[n-]2)C[C@H](C)O1 ZINC000482141943 515586056 /nfs/dbraw/zinc/58/60/56/515586056.db2.gz NXHXWZKMWVUEBV-GWCFXTLKSA-N -1 3 367.247 3.128 20 0 FGADHM O=C(N=c1[n-]nc(C(F)(F)F)s1)NC[C@@H]1CCN1C1CCCCC1 ZINC000528875559 516765051 /nfs/dbraw/zinc/76/50/51/516765051.db2.gz MOVXMONDHKNZDL-JTQLQIEISA-N -1 3 363.409 3.085 20 0 FGADHM Cn1[n-]c(=NC(=O)N[C@@H](c2ccccn2)C2CCC2)cc1OC(F)F ZINC000529072956 516902821 /nfs/dbraw/zinc/90/28/21/516902821.db2.gz AZVUOIMPZQRRKQ-CQSZACIVSA-N -1 3 351.357 3.079 20 0 FGADHM COc1cc(=NC(=O)c2cc(F)c(Br)cc2Cl)[n-]n1C ZINC000526017706 517295895 /nfs/dbraw/zinc/29/58/95/517295895.db2.gz IGWCHMQGCOLPNC-UHFFFAOYSA-N -1 3 362.586 3.236 20 0 FGADHM Cc1cc(C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)c2c(n1)onc2C(C)C ZINC000526960387 517410556 /nfs/dbraw/zinc/41/05/56/517410556.db2.gz ZEJSNCINGGCJEY-ZDUSSCGKSA-N -1 3 355.398 3.482 20 0 FGADHM COc1ccc(C(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)cc1OC(F)F ZINC000527208519 517562878 /nfs/dbraw/zinc/56/28/78/517562878.db2.gz NWIRXAAMQVGTKT-LLVKDONJSA-N -1 3 353.325 3.124 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@@H](C)NC(=O)C2CCCC2)c1-c1ccc(C)cc1 ZINC000530272697 517671510 /nfs/dbraw/zinc/67/15/10/517671510.db2.gz MYOMLJXJSCMFGA-CQSZACIVSA-N -1 3 354.454 3.327 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)c2ccc(N3CCCC3)nn2)c1-c1ccc(F)cc1 ZINC000530275332 517672757 /nfs/dbraw/zinc/67/27/57/517672757.db2.gz YVRIHXMWSHSUGE-UHFFFAOYSA-N -1 3 366.400 3.167 20 0 FGADHM C[C@H](Oc1ccc(F)cc1Cl)C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000527499922 517712821 /nfs/dbraw/zinc/71/28/21/517712821.db2.gz IQACBZGLAXUDHK-XPTSAGLGSA-N -1 3 353.781 3.460 20 0 FGADHM COc1nc(NC[C@@H](c2ccc(SC)cc2)N(C)C)ccc1C(=O)[O-] ZINC000516973376 517954263 /nfs/dbraw/zinc/95/42/63/517954263.db2.gz QTACZNBGAFWUFB-HNNXBMFYSA-N -1 3 361.467 3.225 20 0 FGADHM CCN1C[C@@H](C(=O)N=c2cc(-c3cc(Cl)cc(Cl)c3)[n-][nH]2)CC1=O ZINC000530798545 517981868 /nfs/dbraw/zinc/98/18/68/517981868.db2.gz QDDYJWDXCJZOMD-JTQLQIEISA-N -1 3 367.236 3.190 20 0 FGADHM COC(=O)[C@H]1CCC[C@H](C(=O)N=c2[nH][n-]c(C)c2-c2cccc(F)c2)C1 ZINC000603199997 520152619 /nfs/dbraw/zinc/15/26/19/520152619.db2.gz MFFOTPNGQJALFT-KBPBESRZSA-N -1 3 359.401 3.442 20 0 FGADHM CC(C)n1c(=O)[nH]c2ccc(C(=O)N=c3cc([C@H]4CCCO4)[n-][nH]3)cc21 ZINC000616824924 520163818 /nfs/dbraw/zinc/16/38/18/520163818.db2.gz QPJKMOCQMMJQCT-OAHLLOKOSA-N -1 3 355.398 3.150 20 0 FGADHM CCN=c1[n-]c(C(=O)N2CCCC[C@@H]2[C@@H]2C[C@H](C)CC[C@H]2O)cs1 ZINC000614324496 520909355 /nfs/dbraw/zinc/90/93/55/520909355.db2.gz SHKRPCXGSDAPBR-OCVGTWLNSA-N -1 3 351.516 3.367 20 0 FGADHM CCc1cc([N-]C(=O)c2cn(-c3ccccc3C(F)(F)F)nn2)no1 ZINC000606891090 521196585 /nfs/dbraw/zinc/19/65/85/521196585.db2.gz SWCGTAROUZYMJN-UHFFFAOYSA-N -1 3 351.288 3.089 20 0 FGADHM Cn1cc(I)c(=NC(=O)c2cccc(C3CC3)c2)[n-]1 ZINC000602391029 521317252 /nfs/dbraw/zinc/31/72/52/521317252.db2.gz QRJPWIIAXVJVKK-UHFFFAOYSA-N -1 3 367.190 3.154 20 0 FGADHM CC(C)CNC(=O)N1CCC[C@H](C(=O)N=c2cc(-c3ccccc3)[n-][nH]2)C1 ZINC000607384300 521351242 /nfs/dbraw/zinc/35/12/42/521351242.db2.gz SOLGLPLOSSTYQI-INIZCTEOSA-N -1 3 369.469 3.093 20 0 FGADHM C[C@H](NC(=O)c1ccoc1)C(=O)N=c1cc(-c2cccc(Cl)c2)[n-][nH]1 ZINC000622891340 523532345 /nfs/dbraw/zinc/53/23/45/523532345.db2.gz UHIHKIZFYWXKNW-JTQLQIEISA-N -1 3 358.785 3.080 20 0 FGADHM O=C(CNC(=O)c1ccsc1)N=c1cc(-c2cccc(Cl)c2)[n-][nH]1 ZINC000622891200 523532677 /nfs/dbraw/zinc/53/26/77/523532677.db2.gz LADBGEXPZGHLQQ-UHFFFAOYSA-N -1 3 360.826 3.160 20 0 FGADHM C[C@H](Cc1cnc2ccccc2n1)C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000515774549 562021517 /nfs/dbraw/zinc/02/15/17/562021517.db2.gz QLKJUFLPHFZHBF-PXAZEXFGSA-N -1 3 351.410 3.022 20 0 FGADHM NC(=O)c1ccccc1CCC(=O)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1 ZINC000472325426 561024384 /nfs/dbraw/zinc/02/43/84/561024384.db2.gz KRNXTMBBAWWBEL-UHFFFAOYSA-N -1 3 370.359 3.025 20 0 FGADHM Cc1nc(C)c(C(=O)N=c2[nH][n-]c(C)c2-c2ccc3c(c2)OCCO3)o1 ZINC000532940710 562493198 /nfs/dbraw/zinc/49/31/98/562493198.db2.gz GNXIXQHHOPCWPH-UHFFFAOYSA-N -1 3 354.366 3.013 20 0 FGADHM CN(Cc1ccccc1)CC(C)(C)NC(=O)N=c1ncn(C(C)(C)C)[n-]1 ZINC000541507048 562613831 /nfs/dbraw/zinc/61/38/31/562613831.db2.gz KTHWJJKIHQCPHE-UHFFFAOYSA-N -1 3 358.490 3.065 20 0 FGADHM CC[C@](C)([N-]S(=O)(=O)c1cccc(OC)c1F)c1nc(C)cs1 ZINC000655523927 568085021 /nfs/dbraw/zinc/08/50/21/568085021.db2.gz PFVLXUIRPKBZAG-HNNXBMFYSA-N -1 3 358.460 3.203 20 0 FGADHM COc1cccc(S(=O)(=O)[N-][C@@H](c2ncc(C)s2)C2CC2)c1F ZINC000655526906 568160755 /nfs/dbraw/zinc/16/07/55/568160755.db2.gz VWDSRYKQBYDGIJ-CQSZACIVSA-N -1 3 356.444 3.029 20 0 FGADHM C[C@H]1CC(F)(F)CCN1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000636942981 568216615 /nfs/dbraw/zinc/21/66/15/568216615.db2.gz JHLFSIVHBMQDSP-VIFPVBQESA-N -1 3 363.202 3.484 20 0 FGADHM Cn1cc(C(=O)N(C2CC2)[C@@H]2CCCC[C@H]2C2CCCCC2)c(=O)[n-]c1=O ZINC000525797553 568305346 /nfs/dbraw/zinc/30/53/46/568305346.db2.gz YWQGYTIQMFVUNC-FUHWJXTLSA-N -1 3 373.497 3.230 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H](Cc1ccccc1)C(C)C ZINC000737057002 598832299 /nfs/dbraw/zinc/83/22/99/598832299.db2.gz FUCVOTYALTZHGR-MRXNPFEDSA-N -1 3 365.437 3.329 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H](Cc1ccccc1)C(C)C ZINC000737057002 598832301 /nfs/dbraw/zinc/83/23/01/598832301.db2.gz FUCVOTYALTZHGR-MRXNPFEDSA-N -1 3 365.437 3.329 20 0 FGADHM C[C@]1(c2ccccc2)CCCN(C(=O)Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC000736230468 598838532 /nfs/dbraw/zinc/83/85/32/598838532.db2.gz RJUOUQAMBMWZTC-FQEVSTJZSA-N -1 3 362.437 3.452 20 0 FGADHM C[C@]1(c2ccccc2)CCCN(C(=O)Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC000736230468 598838533 /nfs/dbraw/zinc/83/85/33/598838533.db2.gz RJUOUQAMBMWZTC-FQEVSTJZSA-N -1 3 362.437 3.452 20 0 FGADHM CCOc1cc(C(=O)OCc2ccc(F)cc2-c2nnn[n-]2)ccc1C ZINC000736625782 598848877 /nfs/dbraw/zinc/84/88/77/598848877.db2.gz OZKRERZESCUHLA-UHFFFAOYSA-N -1 3 356.357 3.070 20 0 FGADHM CCOc1cc(C(=O)OCc2ccc(F)cc2-c2nn[n-]n2)ccc1C ZINC000736625782 598848878 /nfs/dbraw/zinc/84/88/78/598848878.db2.gz OZKRERZESCUHLA-UHFFFAOYSA-N -1 3 356.357 3.070 20 0 FGADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)c1nc(CCc2ccccc2)no1 ZINC000736186870 598859342 /nfs/dbraw/zinc/85/93/42/598859342.db2.gz FMOWPLQFSASOIE-CYBMUJFWSA-N -1 3 362.393 3.175 20 0 FGADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)c1nc(CCc2ccccc2)no1 ZINC000736186870 598859344 /nfs/dbraw/zinc/85/93/44/598859344.db2.gz FMOWPLQFSASOIE-CYBMUJFWSA-N -1 3 362.393 3.175 20 0 FGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H](C)C1CCCC1 ZINC000735905619 598879146 /nfs/dbraw/zinc/87/91/46/598879146.db2.gz MDIKXNNRKOVKMS-LBPRGKRZSA-N -1 3 358.446 3.354 20 0 FGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@H](C)C1CCCC1 ZINC000735905619 598879147 /nfs/dbraw/zinc/87/91/47/598879147.db2.gz MDIKXNNRKOVKMS-LBPRGKRZSA-N -1 3 358.446 3.354 20 0 FGADHM C[C@H]1C[C@H]1CNC(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000736241412 598888782 /nfs/dbraw/zinc/88/87/82/598888782.db2.gz XTOUIHBFLJRSPR-FZMZJTMJSA-N -1 3 368.466 3.050 20 0 FGADHM C[C@H](CC1CCCC1)C(=O)Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000735984916 598905568 /nfs/dbraw/zinc/90/55/68/598905568.db2.gz HOLQDRNTISRWKI-CYBMUJFWSA-N -1 3 365.441 3.207 20 0 FGADHM O=C(NCCc1cc2ccccc2o1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738087280 598905783 /nfs/dbraw/zinc/90/57/83/598905783.db2.gz AYJHDEJWHCMECY-UHFFFAOYSA-N -1 3 366.356 3.116 20 0 FGADHM O=C(NCCc1cc2ccccc2o1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738087280 598905785 /nfs/dbraw/zinc/90/57/85/598905785.db2.gz AYJHDEJWHCMECY-UHFFFAOYSA-N -1 3 366.356 3.116 20 0 FGADHM CN(C(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccc2ccccc2n1 ZINC000736731744 598912574 /nfs/dbraw/zinc/91/25/74/598912574.db2.gz GPIZJJJBERLASU-ACCUITESSA-N -1 3 356.389 3.091 20 0 FGADHM CN(C(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ccc2ccccc2n1 ZINC000736731744 598912576 /nfs/dbraw/zinc/91/25/76/598912576.db2.gz GPIZJJJBERLASU-ACCUITESSA-N -1 3 356.389 3.091 20 0 FGADHM O=C(Nc1ccc(Oc2ncc(-c3nnn[n-]3)cc2Cl)cc1)C1CC1 ZINC000738176212 598939088 /nfs/dbraw/zinc/93/90/88/598939088.db2.gz VGJMYJFBKDEVJV-UHFFFAOYSA-N -1 3 356.773 3.056 20 0 FGADHM O=C(Nc1ccc(Oc2ncc(-c3nn[n-]n3)cc2Cl)cc1)C1CC1 ZINC000738176212 598939089 /nfs/dbraw/zinc/93/90/89/598939089.db2.gz VGJMYJFBKDEVJV-UHFFFAOYSA-N -1 3 356.773 3.056 20 0 FGADHM O=C(Nc1ccc(F)cc1OCC1CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000738165678 598946571 /nfs/dbraw/zinc/94/65/71/598946571.db2.gz LJZICDMODYORMP-UHFFFAOYSA-N -1 3 353.357 3.047 20 0 FGADHM O=C(Nc1ccc(F)cc1OCC1CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000738165678 598946573 /nfs/dbraw/zinc/94/65/73/598946573.db2.gz LJZICDMODYORMP-UHFFFAOYSA-N -1 3 353.357 3.047 20 0 FGADHM C[C@H](NC(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1nc2ccccc2s1 ZINC000736116264 598962917 /nfs/dbraw/zinc/96/29/17/598962917.db2.gz MEEGXLFMIPATPL-JTQLQIEISA-N -1 3 365.422 3.359 20 0 FGADHM C[C@H](NC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1nc2ccccc2s1 ZINC000736116264 598962920 /nfs/dbraw/zinc/96/29/20/598962920.db2.gz MEEGXLFMIPATPL-JTQLQIEISA-N -1 3 365.422 3.359 20 0 FGADHM c1cc(COc2cccc(NC[C@H]3CCCOC3)c2)cc(-c2nnn[n-]2)c1 ZINC000823756713 607256000 /nfs/dbraw/zinc/25/60/00/607256000.db2.gz FSGLABWXTVLTQJ-MRXNPFEDSA-N -1 3 365.437 3.284 20 0 FGADHM c1cc(COc2cccc(NC[C@H]3CCCOC3)c2)cc(-c2nn[n-]n2)c1 ZINC000823756713 607256001 /nfs/dbraw/zinc/25/60/01/607256001.db2.gz FSGLABWXTVLTQJ-MRXNPFEDSA-N -1 3 365.437 3.284 20 0 FGADHM Cc1c(CNC(=S)Nc2ccccc2-c2nnn[n-]2)oc2ccccc12 ZINC000737212962 598977813 /nfs/dbraw/zinc/97/78/13/598977813.db2.gz VGHNOBQVNYWRTA-UHFFFAOYSA-N -1 3 364.434 3.408 20 0 FGADHM Cc1c(CNC(=S)Nc2ccccc2-c2nn[n-]n2)oc2ccccc12 ZINC000737212962 598977815 /nfs/dbraw/zinc/97/78/15/598977815.db2.gz VGHNOBQVNYWRTA-UHFFFAOYSA-N -1 3 364.434 3.408 20 0 FGADHM CC(C)[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)cn1)c1ccccc1Cl ZINC000735719573 599006706 /nfs/dbraw/zinc/00/67/06/599006706.db2.gz GCZYNCSVRWOQAI-OAHLLOKOSA-N -1 3 356.817 3.042 20 0 FGADHM CC(C)[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)cn1)c1ccccc1Cl ZINC000735719573 599006708 /nfs/dbraw/zinc/00/67/08/599006708.db2.gz GCZYNCSVRWOQAI-OAHLLOKOSA-N -1 3 356.817 3.042 20 0 FGADHM CC[C@H]1CCCN(C(=O)c2c(Cl)cc(-c3nnn[n-]3)cc2Cl)C1 ZINC000825191394 607833086 /nfs/dbraw/zinc/83/30/86/607833086.db2.gz BJHROBQQJZBBNX-VIFPVBQESA-N -1 3 354.241 3.436 20 0 FGADHM CC[C@H]1CCCN(C(=O)c2c(Cl)cc(-c3nn[n-]n3)cc2Cl)C1 ZINC000825191394 607833087 /nfs/dbraw/zinc/83/30/87/607833087.db2.gz BJHROBQQJZBBNX-VIFPVBQESA-N -1 3 354.241 3.436 20 0 FGADHM Cc1cccc2c(CC(=O)Nc3ccc(Cl)c(-c4nnn[n-]4)c3)c[nH]c21 ZINC000737411201 599035233 /nfs/dbraw/zinc/03/52/33/599035233.db2.gz ZMLDRMGORZCSSL-UHFFFAOYSA-N -1 3 366.812 3.491 20 0 FGADHM Cc1cccc2c(CC(=O)Nc3ccc(Cl)c(-c4nn[n-]n4)c3)c[nH]c21 ZINC000737411201 599035235 /nfs/dbraw/zinc/03/52/35/599035235.db2.gz ZMLDRMGORZCSSL-UHFFFAOYSA-N -1 3 366.812 3.491 20 0 FGADHM Cc1cccc2c(CC(=O)N[C@H](C)c3ccc(-c4nnn[n-]4)cc3)c[nH]c21 ZINC000737410571 599035976 /nfs/dbraw/zinc/03/59/76/599035976.db2.gz VHJOZDPFCSLZMC-CYBMUJFWSA-N -1 3 360.421 3.076 20 0 FGADHM Cc1cccc2c(CC(=O)N[C@H](C)c3ccc(-c4nn[n-]n4)cc3)c[nH]c21 ZINC000737410571 599035979 /nfs/dbraw/zinc/03/59/79/599035979.db2.gz VHJOZDPFCSLZMC-CYBMUJFWSA-N -1 3 360.421 3.076 20 0 FGADHM Cc1ccccc1[C@@H]1CN(c2c(-c3nnn[n-]3)cnc3ccccc32)CCO1 ZINC000822352345 599037080 /nfs/dbraw/zinc/03/70/80/599037080.db2.gz XMWAZYYFDCSVIN-IBGZPJMESA-N -1 3 372.432 3.301 20 0 FGADHM Cc1ccccc1[C@@H]1CN(c2c(-c3nn[n-]n3)cnc3ccccc32)CCO1 ZINC000822352345 599037084 /nfs/dbraw/zinc/03/70/84/599037084.db2.gz XMWAZYYFDCSVIN-IBGZPJMESA-N -1 3 372.432 3.301 20 0 FGADHM C[C@@H]1CN(c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)Cc2ccccc21 ZINC000736292563 599038874 /nfs/dbraw/zinc/03/88/74/599038874.db2.gz KWVBOPRCMVMXOT-SNVBAGLBSA-N -1 3 360.343 3.404 20 0 FGADHM C[C@@H]1CN(c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)Cc2ccccc21 ZINC000736292563 599038877 /nfs/dbraw/zinc/03/88/77/599038877.db2.gz KWVBOPRCMVMXOT-SNVBAGLBSA-N -1 3 360.343 3.404 20 0 FGADHM COc1cccc(O[C@@H](C)CNc2c(F)cc(-c3nnn[n-]3)cc2F)c1 ZINC000821872780 599061979 /nfs/dbraw/zinc/06/19/79/599061979.db2.gz PZGVDBLMLFFCBE-JTQLQIEISA-N -1 3 361.352 3.033 20 0 FGADHM COc1cccc(O[C@@H](C)CNc2c(F)cc(-c3nn[n-]n3)cc2F)c1 ZINC000821872780 599061982 /nfs/dbraw/zinc/06/19/82/599061982.db2.gz PZGVDBLMLFFCBE-JTQLQIEISA-N -1 3 361.352 3.033 20 0 FGADHM COc1cccc(O[C@H](C)CNc2c(Cl)cccc2-c2nnn[n-]2)c1 ZINC000821873196 599063488 /nfs/dbraw/zinc/06/34/88/599063488.db2.gz SPHXPIJMHPTARC-LLVKDONJSA-N -1 3 359.817 3.408 20 0 FGADHM COc1cccc(O[C@H](C)CNc2c(Cl)cccc2-c2nn[n-]n2)c1 ZINC000821873196 599063491 /nfs/dbraw/zinc/06/34/91/599063491.db2.gz SPHXPIJMHPTARC-LLVKDONJSA-N -1 3 359.817 3.408 20 0 FGADHM C[C@@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(=O)NCC1CCCCC1 ZINC000736189893 599065442 /nfs/dbraw/zinc/06/54/42/599065442.db2.gz CUVROZKOZVPCRF-LLVKDONJSA-N -1 3 363.462 3.183 20 0 FGADHM C[C@@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(=O)NCC1CCCCC1 ZINC000736189893 599065443 /nfs/dbraw/zinc/06/54/43/599065443.db2.gz CUVROZKOZVPCRF-LLVKDONJSA-N -1 3 363.462 3.183 20 0 FGADHM Cc1ccc(O[C@H](C)CNc2c(-c3nnn[n-]3)cnc3ccccc32)cc1 ZINC000822259226 599068747 /nfs/dbraw/zinc/06/87/47/599068747.db2.gz QFEYZUUITDBCPG-CQSZACIVSA-N -1 3 360.421 3.025 20 0 FGADHM Cc1ccc(O[C@H](C)CNc2c(-c3nn[n-]n3)cnc3ccccc32)cc1 ZINC000822259226 599068750 /nfs/dbraw/zinc/06/87/50/599068750.db2.gz QFEYZUUITDBCPG-CQSZACIVSA-N -1 3 360.421 3.025 20 0 FGADHM Fc1ccc(-c2nnn[n-]2)cc1CNc1nnc(-c2ccccc2)s1 ZINC000822761871 599070661 /nfs/dbraw/zinc/07/06/61/599070661.db2.gz UVQHHXPSBUAYCS-UHFFFAOYSA-N -1 3 353.386 3.136 20 0 FGADHM Fc1ccc(-c2nn[n-]n2)cc1CNc1nnc(-c2ccccc2)s1 ZINC000822761871 599070663 /nfs/dbraw/zinc/07/06/63/599070663.db2.gz UVQHHXPSBUAYCS-UHFFFAOYSA-N -1 3 353.386 3.136 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000737291104 599073857 /nfs/dbraw/zinc/07/38/57/599073857.db2.gz HXPFRYKFZAHBJP-TZMCWYRMSA-N -1 3 355.348 3.196 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000737291104 599073860 /nfs/dbraw/zinc/07/38/60/599073860.db2.gz HXPFRYKFZAHBJP-TZMCWYRMSA-N -1 3 355.348 3.196 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H]1C[C@H]1c1cccc(F)c1F ZINC000737292669 599073978 /nfs/dbraw/zinc/07/39/78/599073978.db2.gz WYELWTUYQYGDQJ-STQMWFEESA-N -1 3 355.348 3.196 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H]1C[C@H]1c1cccc(F)c1F ZINC000737292669 599073981 /nfs/dbraw/zinc/07/39/81/599073981.db2.gz WYELWTUYQYGDQJ-STQMWFEESA-N -1 3 355.348 3.196 20 0 FGADHM COc1ccc(O[C@H](C)CNc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000821838331 599074644 /nfs/dbraw/zinc/07/46/44/599074644.db2.gz LEYOFOZKIOVEBQ-LLVKDONJSA-N -1 3 359.817 3.408 20 0 FGADHM COc1ccc(O[C@H](C)CNc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000821838331 599074647 /nfs/dbraw/zinc/07/46/47/599074647.db2.gz LEYOFOZKIOVEBQ-LLVKDONJSA-N -1 3 359.817 3.408 20 0 FGADHM C[C@H](Sc1ccccc1-c1nnn[n-]1)C(=O)N[C@@H](C)c1ccccc1 ZINC000736194250 599110884 /nfs/dbraw/zinc/11/08/84/599110884.db2.gz YOCTZFQYYRFSEN-STQMWFEESA-N -1 3 353.451 3.225 20 0 FGADHM C[C@H](Sc1ccccc1-c1nn[n-]n1)C(=O)N[C@@H](C)c1ccccc1 ZINC000736194250 599110886 /nfs/dbraw/zinc/11/08/86/599110886.db2.gz YOCTZFQYYRFSEN-STQMWFEESA-N -1 3 353.451 3.225 20 0 FGADHM CCO[C@@H]1C[C@@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)C12CCCCC2 ZINC000736612544 599119645 /nfs/dbraw/zinc/11/96/45/599119645.db2.gz QAHCRKLWFGVFJU-ZIAGYGMSSA-N -1 3 362.865 3.455 20 0 FGADHM CCO[C@@H]1C[C@@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)C12CCCCC2 ZINC000736612544 599119647 /nfs/dbraw/zinc/11/96/47/599119647.db2.gz QAHCRKLWFGVFJU-ZIAGYGMSSA-N -1 3 362.865 3.455 20 0 FGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1cc(OCc2ccccc2)ccn1 ZINC000742501307 599131751 /nfs/dbraw/zinc/13/17/51/599131751.db2.gz MPUDDKFBTVSPLO-UHFFFAOYSA-N -1 3 372.388 3.093 20 0 FGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1cc(OCc2ccccc2)ccn1 ZINC000742501307 599131753 /nfs/dbraw/zinc/13/17/53/599131753.db2.gz MPUDDKFBTVSPLO-UHFFFAOYSA-N -1 3 372.388 3.093 20 0 FGADHM FC(F)(F)COc1ccc(CSc2cccc(-c3nnn[n-]3)c2)cn1 ZINC000822719007 607258943 /nfs/dbraw/zinc/25/89/43/607258943.db2.gz XNNYAQMGWGUGOE-UHFFFAOYSA-N -1 3 367.356 3.495 20 0 FGADHM FC(F)(F)COc1ccc(CSc2cccc(-c3nn[n-]n3)c2)cn1 ZINC000822719007 607258944 /nfs/dbraw/zinc/25/89/44/607258944.db2.gz XNNYAQMGWGUGOE-UHFFFAOYSA-N -1 3 367.356 3.495 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H](C)c1ccc(C)o1 ZINC000821099356 599140803 /nfs/dbraw/zinc/14/08/03/599140803.db2.gz FHXXIFSWDRJLPD-CQSZACIVSA-N -1 3 353.426 3.310 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H](C)c1ccc(C)o1 ZINC000821099356 599140805 /nfs/dbraw/zinc/14/08/05/599140805.db2.gz FHXXIFSWDRJLPD-CQSZACIVSA-N -1 3 353.426 3.310 20 0 FGADHM Cc1cc(Oc2ncccc2-c2nnn[n-]2)ccc1NC(=O)/C=C\C1CC1 ZINC000822211881 599141717 /nfs/dbraw/zinc/14/17/17/599141717.db2.gz RVUJCQJNABMVIN-TWGQIWQCSA-N -1 3 362.393 3.267 20 0 FGADHM CCN(C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)[C@H](C)c1cccnc1 ZINC000736504935 599145042 /nfs/dbraw/zinc/14/50/42/599145042.db2.gz DXSAMZHFGIOBFR-LLVKDONJSA-N -1 3 355.377 3.016 20 0 FGADHM CCN(C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)[C@H](C)c1cccnc1 ZINC000736504935 599145043 /nfs/dbraw/zinc/14/50/43/599145043.db2.gz DXSAMZHFGIOBFR-LLVKDONJSA-N -1 3 355.377 3.016 20 0 FGADHM Cc1cccc([C@@H](C)NC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)c1C ZINC000737386885 599147974 /nfs/dbraw/zinc/14/79/74/599147974.db2.gz FBZYMYJVTSUVKJ-CYBMUJFWSA-N -1 3 368.416 3.183 20 0 FGADHM Cc1cccc([C@@H](C)NC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)c1C ZINC000737386885 599147976 /nfs/dbraw/zinc/14/79/76/599147976.db2.gz FBZYMYJVTSUVKJ-CYBMUJFWSA-N -1 3 368.416 3.183 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)[C@@H]1SCCc2sccc21 ZINC000823332594 599152270 /nfs/dbraw/zinc/15/22/70/599152270.db2.gz OZQQYYCMMSDYRL-CYBMUJFWSA-N -1 3 361.427 3.036 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)[C@@H]1SCCc2sccc21 ZINC000823332594 599152271 /nfs/dbraw/zinc/15/22/71/599152271.db2.gz OZQQYYCMMSDYRL-CYBMUJFWSA-N -1 3 361.427 3.036 20 0 FGADHM C[C@H](CC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)c1cccc(F)c1 ZINC000735977511 599159865 /nfs/dbraw/zinc/15/98/65/599159865.db2.gz SFUDOXCPKIINDP-OLZOCXBDSA-N -1 3 353.401 3.377 20 0 FGADHM C[C@H](CC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)c1cccc(F)c1 ZINC000735977511 599159866 /nfs/dbraw/zinc/15/98/66/599159866.db2.gz SFUDOXCPKIINDP-OLZOCXBDSA-N -1 3 353.401 3.377 20 0 FGADHM Fc1cc(Cl)ccc1OCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000737645454 599160159 /nfs/dbraw/zinc/16/01/59/599160159.db2.gz YVZSOEJSOMIUBT-UHFFFAOYSA-N -1 3 372.747 3.288 20 0 FGADHM Fc1cc(Cl)ccc1OCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000737645454 599160160 /nfs/dbraw/zinc/16/01/60/599160160.db2.gz YVZSOEJSOMIUBT-UHFFFAOYSA-N -1 3 372.747 3.288 20 0 FGADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCC[C@H](C(C)(C)C)CC1 ZINC000736184464 599162519 /nfs/dbraw/zinc/16/25/19/599162519.db2.gz ZRDWJJWHIFWHGK-GJZGRUSLSA-N -1 3 371.485 3.309 20 0 FGADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCC[C@H](C(C)(C)C)CC1 ZINC000736184464 599162520 /nfs/dbraw/zinc/16/25/20/599162520.db2.gz ZRDWJJWHIFWHGK-GJZGRUSLSA-N -1 3 371.485 3.309 20 0 FGADHM C[C@H](c1ccccc1)N(C)C(=O)CSc1ccc(-c2nnn[n-]2)cc1F ZINC000736200307 599168112 /nfs/dbraw/zinc/16/81/12/599168112.db2.gz FEPVTNCUOOIHEL-GFCCVEGCSA-N -1 3 371.441 3.318 20 0 FGADHM C[C@H](c1ccccc1)N(C)C(=O)CSc1ccc(-c2nn[n-]n2)cc1F ZINC000736200307 599168115 /nfs/dbraw/zinc/16/81/15/599168115.db2.gz FEPVTNCUOOIHEL-GFCCVEGCSA-N -1 3 371.441 3.318 20 0 FGADHM O=C1[C@H](Sc2ccc(-c3nnn[n-]3)cc2F)CCCN1c1ccccc1 ZINC000738297408 599170535 /nfs/dbraw/zinc/17/05/35/599170535.db2.gz RPFBRYAOXPTWAE-MRXNPFEDSA-N -1 3 369.425 3.294 20 0 FGADHM O=C1[C@H](Sc2ccc(-c3nn[n-]n3)cc2F)CCCN1c1ccccc1 ZINC000738297408 599170536 /nfs/dbraw/zinc/17/05/36/599170536.db2.gz RPFBRYAOXPTWAE-MRXNPFEDSA-N -1 3 369.425 3.294 20 0 FGADHM Cn1c(CSc2ccc(-c3nnn[n-]3)cc2F)nnc1-c1ccccc1 ZINC000737591541 599172212 /nfs/dbraw/zinc/17/22/12/599172212.db2.gz LIVGBPRNBSLHTB-UHFFFAOYSA-N -1 3 367.413 3.094 20 0 FGADHM Cn1c(CSc2ccc(-c3nn[n-]n3)cc2F)nnc1-c1ccccc1 ZINC000737591541 599172213 /nfs/dbraw/zinc/17/22/13/599172213.db2.gz LIVGBPRNBSLHTB-UHFFFAOYSA-N -1 3 367.413 3.094 20 0 FGADHM C[C@@H]1CCc2c(sc(NC(=O)[C@H]3Cc4ccccc43)c2-c2nnn[n-]2)C1 ZINC000736281839 599176996 /nfs/dbraw/zinc/17/69/96/599176996.db2.gz XSOJIGGLEPJZKT-YGRLFVJLSA-N -1 3 365.462 3.331 20 0 FGADHM C[C@@H]1CCc2c(sc(NC(=O)[C@H]3Cc4ccccc43)c2-c2nn[n-]n2)C1 ZINC000736281839 599176997 /nfs/dbraw/zinc/17/69/97/599176997.db2.gz XSOJIGGLEPJZKT-YGRLFVJLSA-N -1 3 365.462 3.331 20 0 FGADHM CCCc1ncc(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)s1 ZINC000736495116 599179233 /nfs/dbraw/zinc/17/92/33/599179233.db2.gz INWARQHSGBAAJA-UHFFFAOYSA-N -1 3 368.466 3.081 20 0 FGADHM CCCc1ncc(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)s1 ZINC000736495116 599179236 /nfs/dbraw/zinc/17/92/36/599179236.db2.gz INWARQHSGBAAJA-UHFFFAOYSA-N -1 3 368.466 3.081 20 0 FGADHM CC(C)Sc1ccc(C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000820183635 599180757 /nfs/dbraw/zinc/18/07/57/599180757.db2.gz HPKHSWLBYLOLKW-UHFFFAOYSA-N -1 3 371.441 3.436 20 0 FGADHM CC(C)Sc1ccc(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000820183635 599180759 /nfs/dbraw/zinc/18/07/59/599180759.db2.gz HPKHSWLBYLOLKW-UHFFFAOYSA-N -1 3 371.441 3.436 20 0 FGADHM CC(C)(C(=O)Nc1ccc(-c2nnn[n-]2)cn1)c1ccc2ccccc2c1 ZINC000735580315 599186312 /nfs/dbraw/zinc/18/63/12/599186312.db2.gz ARNZRAPPDRAWRD-UHFFFAOYSA-N -1 3 358.405 3.331 20 0 FGADHM CC(C)(C(=O)Nc1ccc(-c2nn[n-]n2)cn1)c1ccc2ccccc2c1 ZINC000735580315 599186313 /nfs/dbraw/zinc/18/63/13/599186313.db2.gz ARNZRAPPDRAWRD-UHFFFAOYSA-N -1 3 358.405 3.331 20 0 FGADHM Cc1ccccc1[C@@H](C)CC(=O)OCCOc1ccccc1-c1nnn[n-]1 ZINC000737424820 599186343 /nfs/dbraw/zinc/18/63/43/599186343.db2.gz XTJBBWULEXMINQ-HNNXBMFYSA-N -1 3 366.421 3.291 20 0 FGADHM Cc1ccccc1[C@@H](C)CC(=O)OCCOc1ccccc1-c1nn[n-]n1 ZINC000737424820 599186345 /nfs/dbraw/zinc/18/63/45/599186345.db2.gz XTJBBWULEXMINQ-HNNXBMFYSA-N -1 3 366.421 3.291 20 0 FGADHM Cc1ccc2[nH]c(C(=O)NCc3ccc(-c4nnn[n-]4)cc3F)cc2c1C ZINC000737372570 599201064 /nfs/dbraw/zinc/20/10/64/599201064.db2.gz GLSKXQHRHBQEON-UHFFFAOYSA-N -1 3 364.384 3.034 20 0 FGADHM Cc1ccc2[nH]c(C(=O)NCc3ccc(-c4nn[n-]n4)cc3F)cc2c1C ZINC000737372570 599201065 /nfs/dbraw/zinc/20/10/65/599201065.db2.gz GLSKXQHRHBQEON-UHFFFAOYSA-N -1 3 364.384 3.034 20 0 FGADHM CC(C)Oc1cccc([C@H](O)CNc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000735914706 599206040 /nfs/dbraw/zinc/20/60/40/599206040.db2.gz YSJXYNZRGRTLJG-QGZVFWFLSA-N -1 3 373.844 3.453 20 0 FGADHM CC(C)Oc1cccc([C@H](O)CNc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000735914706 599206042 /nfs/dbraw/zinc/20/60/42/599206042.db2.gz YSJXYNZRGRTLJG-QGZVFWFLSA-N -1 3 373.844 3.453 20 0 FGADHM C[C@@H]1CN(C(=O)CSc2ccc(-c3nnn[n-]3)cc2)[C@@H]1c1ccccc1 ZINC000820733642 599208876 /nfs/dbraw/zinc/20/88/76/599208876.db2.gz HSEYHOHPAWNGKZ-ACJLOTCBSA-N -1 3 365.462 3.178 20 0 FGADHM C[C@@H]1CN(C(=O)CSc2ccc(-c3nn[n-]n3)cc2)[C@@H]1c1ccccc1 ZINC000820733642 599208877 /nfs/dbraw/zinc/20/88/77/599208877.db2.gz HSEYHOHPAWNGKZ-ACJLOTCBSA-N -1 3 365.462 3.178 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N(CCc1ccc(F)cc1)C1CC1 ZINC000738152701 599213370 /nfs/dbraw/zinc/21/33/70/599213370.db2.gz YHFDCJMSEGDDJW-UHFFFAOYSA-N -1 3 366.400 3.245 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N(CCc1ccc(F)cc1)C1CC1 ZINC000738152701 599213372 /nfs/dbraw/zinc/21/33/72/599213372.db2.gz YHFDCJMSEGDDJW-UHFFFAOYSA-N -1 3 366.400 3.245 20 0 FGADHM Cc1ccc(N2CCCC2)c(C(=O)OCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737354005 599216891 /nfs/dbraw/zinc/21/68/91/599216891.db2.gz ZKBASNRSSZTBBX-UHFFFAOYSA-N -1 3 363.421 3.132 20 0 FGADHM Cc1ccc(N2CCCC2)c(C(=O)OCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737354005 599216893 /nfs/dbraw/zinc/21/68/93/599216893.db2.gz ZKBASNRSSZTBBX-UHFFFAOYSA-N -1 3 363.421 3.132 20 0 FGADHM Cc1ccc2[nH]c(C(=O)OCc3ccc(-c4nnn[n-]4)cc3F)cc2c1C ZINC000737373316 599217032 /nfs/dbraw/zinc/21/70/32/599217032.db2.gz UCCDKCOUDXPNMS-UHFFFAOYSA-N -1 3 365.368 3.461 20 0 FGADHM Cc1ccc2[nH]c(C(=O)OCc3ccc(-c4nn[n-]n4)cc3F)cc2c1C ZINC000737373316 599217034 /nfs/dbraw/zinc/21/70/34/599217034.db2.gz UCCDKCOUDXPNMS-UHFFFAOYSA-N -1 3 365.368 3.461 20 0 FGADHM C[C@H](SCc1nc(CC(F)(F)F)no1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820548516 599222404 /nfs/dbraw/zinc/22/24/04/599222404.db2.gz BBJXTFKEFCTNLP-QMMMGPOBSA-N -1 3 370.360 3.349 20 0 FGADHM C[C@H](SCc1nc(CC(F)(F)F)no1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820548516 599222405 /nfs/dbraw/zinc/22/24/05/599222405.db2.gz BBJXTFKEFCTNLP-QMMMGPOBSA-N -1 3 370.360 3.349 20 0 FGADHM CCOc1cccc(NC(=S)Nc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000821430618 599225173 /nfs/dbraw/zinc/22/51/73/599225173.db2.gz AAUYOKRGFQBTGZ-UHFFFAOYSA-N -1 3 358.402 3.213 20 0 FGADHM CCOc1cccc(NC(=S)Nc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000821430618 599225177 /nfs/dbraw/zinc/22/51/77/599225177.db2.gz AAUYOKRGFQBTGZ-UHFFFAOYSA-N -1 3 358.402 3.213 20 0 FGADHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)Nc1cccc2ccccc21 ZINC000823215758 599236489 /nfs/dbraw/zinc/23/64/89/599236489.db2.gz SSWZOYJHJJOZRK-UHFFFAOYSA-N -1 3 374.404 3.220 20 0 FGADHM CCCOc1cccc(CC(=O)Nc2cccc(-c3nnn[n-]3)c2C)c1 ZINC000821133672 607267654 /nfs/dbraw/zinc/26/76/54/607267654.db2.gz CQTIBKOIOYSLCP-UHFFFAOYSA-N -1 3 351.410 3.145 20 0 FGADHM CCCOc1cccc(CC(=O)Nc2cccc(-c3nn[n-]n3)c2C)c1 ZINC000821133672 607267655 /nfs/dbraw/zinc/26/76/55/607267655.db2.gz CQTIBKOIOYSLCP-UHFFFAOYSA-N -1 3 351.410 3.145 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NC[C@H]1CCc2ccccc2C1 ZINC000737293556 599242579 /nfs/dbraw/zinc/24/25/79/599242579.db2.gz FMCSQSFMYXEEPP-AWEZNQCLSA-N -1 3 362.437 3.102 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NC[C@H]1CCc2ccccc2C1 ZINC000737293556 599242580 /nfs/dbraw/zinc/24/25/80/599242580.db2.gz FMCSQSFMYXEEPP-AWEZNQCLSA-N -1 3 362.437 3.102 20 0 FGADHM CC(C)(CNC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)Cc1ccccc1 ZINC000735670321 599243815 /nfs/dbraw/zinc/24/38/15/599243815.db2.gz NIVXEWVGSXKTJI-UHFFFAOYSA-N -1 3 368.416 3.396 20 0 FGADHM CC(C)(CNC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)Cc1ccccc1 ZINC000735670321 599243818 /nfs/dbraw/zinc/24/38/18/599243818.db2.gz NIVXEWVGSXKTJI-UHFFFAOYSA-N -1 3 368.416 3.396 20 0 FGADHM CC[C@@H](Cc1ccccc1)N(C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000820913338 599245698 /nfs/dbraw/zinc/24/56/98/599245698.db2.gz FUHYEZHWMFVTMH-KRWDZBQOSA-N -1 3 350.426 3.352 20 0 FGADHM CC[C@@H](Cc1ccccc1)N(C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000820913338 599245699 /nfs/dbraw/zinc/24/56/99/599245699.db2.gz FUHYEZHWMFVTMH-KRWDZBQOSA-N -1 3 350.426 3.352 20 0 FGADHM Cc1sc(NC(=O)C[C@H]2CCOc3ccccc32)c(-c2nnn[n-]2)c1C ZINC000737561590 599245802 /nfs/dbraw/zinc/24/58/02/599245802.db2.gz JAVCDHLFBUHYGY-GFCCVEGCSA-N -1 3 369.450 3.440 20 0 FGADHM Cc1sc(NC(=O)C[C@H]2CCOc3ccccc32)c(-c2nn[n-]n2)c1C ZINC000737561590 599245804 /nfs/dbraw/zinc/24/58/04/599245804.db2.gz JAVCDHLFBUHYGY-GFCCVEGCSA-N -1 3 369.450 3.440 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cc2cc(F)ccc2o1 ZINC000737061558 599248745 /nfs/dbraw/zinc/24/87/45/599248745.db2.gz AROKUJKXPYVJFB-UHFFFAOYSA-N -1 3 353.313 3.013 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc2cc(F)ccc2o1 ZINC000737061558 599248747 /nfs/dbraw/zinc/24/87/47/599248747.db2.gz AROKUJKXPYVJFB-UHFFFAOYSA-N -1 3 353.313 3.013 20 0 FGADHM CN(C(=O)c1cc2cc(F)ccc2o1)c1ccc(-c2nnn[n-]2)cc1F ZINC000736750213 599248771 /nfs/dbraw/zinc/24/87/71/599248771.db2.gz WKTZCROQWNIGCL-UHFFFAOYSA-N -1 3 355.304 3.168 20 0 FGADHM CN(C(=O)c1cc2cc(F)ccc2o1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736750213 599248773 /nfs/dbraw/zinc/24/87/73/599248773.db2.gz WKTZCROQWNIGCL-UHFFFAOYSA-N -1 3 355.304 3.168 20 0 FGADHM COc1ccc(CNc2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)cc1 ZINC000737095941 599253469 /nfs/dbraw/zinc/25/34/69/599253469.db2.gz QZMFXURZLDSIAO-UHFFFAOYSA-N -1 3 366.812 3.111 20 0 FGADHM COc1ccc(CNc2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)cc1 ZINC000737095941 599253471 /nfs/dbraw/zinc/25/34/71/599253471.db2.gz QZMFXURZLDSIAO-UHFFFAOYSA-N -1 3 366.812 3.111 20 0 FGADHM C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)c2sccc2-c2nnn[n-]2)C1 ZINC000736235918 599249409 /nfs/dbraw/zinc/24/94/09/599249409.db2.gz PWNVNZWQQYECDY-HZMBPMFUSA-N -1 3 357.414 3.291 20 0 FGADHM C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)c2sccc2-c2nn[n-]n2)C1 ZINC000736235918 599249410 /nfs/dbraw/zinc/24/94/10/599249410.db2.gz PWNVNZWQQYECDY-HZMBPMFUSA-N -1 3 357.414 3.291 20 0 FGADHM Cc1ccc2c(c1C)OC[C@@H]2NC(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000822279922 607283618 /nfs/dbraw/zinc/28/36/18/607283618.db2.gz FVIRIJWWGGCBKQ-INIZCTEOSA-N -1 3 364.409 3.047 20 0 FGADHM Cc1ccc2c(c1C)OC[C@@H]2NC(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000822279922 607283619 /nfs/dbraw/zinc/28/36/19/607283619.db2.gz FVIRIJWWGGCBKQ-INIZCTEOSA-N -1 3 364.409 3.047 20 0 FGADHM Cc1csc([C@@H](NC(=O)Nc2cccc(-c3nnn[n-]3)c2C)C2CC2)n1 ZINC000822409159 607284720 /nfs/dbraw/zinc/28/47/20/607284720.db2.gz NPVNLTJCQFUDTH-AWEZNQCLSA-N -1 3 369.454 3.213 20 0 FGADHM Cc1csc([C@@H](NC(=O)Nc2cccc(-c3nn[n-]n3)c2C)C2CC2)n1 ZINC000822409159 607284721 /nfs/dbraw/zinc/28/47/21/607284721.db2.gz NPVNLTJCQFUDTH-AWEZNQCLSA-N -1 3 369.454 3.213 20 0 FGADHM CCN(C(=O)Nc1cccc(-c2nnn[n-]2)c1C)[C@H](C)c1cccc(O)c1 ZINC000821154049 607285974 /nfs/dbraw/zinc/28/59/74/607285974.db2.gz HYKMFVDJSHQNPT-CYBMUJFWSA-N -1 3 366.425 3.496 20 0 FGADHM CCN(C(=O)Nc1cccc(-c2nn[n-]n2)c1C)[C@H](C)c1cccc(O)c1 ZINC000821154049 607285975 /nfs/dbraw/zinc/28/59/75/607285975.db2.gz HYKMFVDJSHQNPT-CYBMUJFWSA-N -1 3 366.425 3.496 20 0 FGADHM Cc1cccc(O[C@H](C)CNC(=O)Nc2cccc(-c3nnn[n-]3)c2C)c1 ZINC000822327862 607290327 /nfs/dbraw/zinc/29/03/27/607290327.db2.gz KSDZYCYKLVZNGW-CYBMUJFWSA-N -1 3 366.425 3.073 20 0 FGADHM Cc1cccc(O[C@H](C)CNC(=O)Nc2cccc(-c3nn[n-]n3)c2C)c1 ZINC000822327862 607290328 /nfs/dbraw/zinc/29/03/28/607290328.db2.gz KSDZYCYKLVZNGW-CYBMUJFWSA-N -1 3 366.425 3.073 20 0 FGADHM Cc1cccc([C@@H]2CCCCCN2C(=O)c2ccc(-c3nnn[n-]3)cn2)c1 ZINC000737389355 599262340 /nfs/dbraw/zinc/26/23/40/599262340.db2.gz LEVBAQYBRLYUAL-SFHVURJKSA-N -1 3 362.437 3.328 20 0 FGADHM Cc1cccc([C@@H]2CCCCCN2C(=O)c2ccc(-c3nn[n-]n3)cn2)c1 ZINC000737389355 599262342 /nfs/dbraw/zinc/26/23/42/599262342.db2.gz LEVBAQYBRLYUAL-SFHVURJKSA-N -1 3 362.437 3.328 20 0 FGADHM Cc1c(NC(=O)NCCc2ccccc2Cl)cccc1-c1nnn[n-]1 ZINC000822102629 607290998 /nfs/dbraw/zinc/29/09/98/607290998.db2.gz BZFINASJNXIMSJ-UHFFFAOYSA-N -1 3 356.817 3.193 20 0 FGADHM Cc1c(NC(=O)NCCc2ccccc2Cl)cccc1-c1nn[n-]n1 ZINC000822102629 607290999 /nfs/dbraw/zinc/29/09/99/607290999.db2.gz BZFINASJNXIMSJ-UHFFFAOYSA-N -1 3 356.817 3.193 20 0 FGADHM COc1c(F)cc(NC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1F ZINC000821698351 599258432 /nfs/dbraw/zinc/25/84/32/599258432.db2.gz GFYZTDHJSFREDV-SECBINFHSA-N -1 3 374.351 3.036 20 0 FGADHM COc1c(F)cc(NC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1F ZINC000821698351 599258434 /nfs/dbraw/zinc/25/84/34/599258434.db2.gz GFYZTDHJSFREDV-SECBINFHSA-N -1 3 374.351 3.036 20 0 FGADHM Cc1ccc(OC[C@H](C)NC(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1 ZINC000822263331 607292738 /nfs/dbraw/zinc/29/27/38/607292738.db2.gz MKOVOIZKMBHFSM-ZDUSSCGKSA-N -1 3 366.425 3.073 20 0 FGADHM Cc1ccc(OC[C@H](C)NC(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1 ZINC000822263331 607292739 /nfs/dbraw/zinc/29/27/39/607292739.db2.gz MKOVOIZKMBHFSM-ZDUSSCGKSA-N -1 3 366.425 3.073 20 0 FGADHM Cc1c(NC(=O)NCC[C@@H](C)c2ccccc2)cccc1-c1nnn[n-]1 ZINC000822096755 607292836 /nfs/dbraw/zinc/29/28/36/607292836.db2.gz QHKCFZRCZHVMBK-CYBMUJFWSA-N -1 3 350.426 3.490 20 0 FGADHM Cc1c(NC(=O)NCC[C@@H](C)c2ccccc2)cccc1-c1nn[n-]n1 ZINC000822096755 607292837 /nfs/dbraw/zinc/29/28/37/607292837.db2.gz QHKCFZRCZHVMBK-CYBMUJFWSA-N -1 3 350.426 3.490 20 0 FGADHM C[C@H](NC(=O)N[C@H]1C[C@H]1C1CCCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820357752 599259189 /nfs/dbraw/zinc/25/91/89/599259189.db2.gz JQTCJTDWPWEBBI-ZLIFDBKOSA-N -1 3 354.458 3.196 20 0 FGADHM C[C@H](NC(=O)N[C@H]1C[C@H]1C1CCCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820357752 599259191 /nfs/dbraw/zinc/25/91/91/599259191.db2.gz JQTCJTDWPWEBBI-ZLIFDBKOSA-N -1 3 354.458 3.196 20 0 FGADHM Cc1c(NC(=O)[C@@H](C)Oc2ccc3c(c2)CCC3)cccc1-c1nnn[n-]1 ZINC000822061609 607294777 /nfs/dbraw/zinc/29/47/77/607294777.db2.gz RTJIEEJCXHJFDF-CYBMUJFWSA-N -1 3 363.421 3.070 20 0 FGADHM Cc1c(NC(=O)[C@@H](C)Oc2ccc3c(c2)CCC3)cccc1-c1nn[n-]n1 ZINC000822061609 607294778 /nfs/dbraw/zinc/29/47/78/607294778.db2.gz RTJIEEJCXHJFDF-CYBMUJFWSA-N -1 3 363.421 3.070 20 0 FGADHM Cc1c(NC(=O)[C@H]2CCSc3ccccc32)cccc1-c1nnn[n-]1 ZINC000822067879 607296656 /nfs/dbraw/zinc/29/66/56/607296656.db2.gz LJNHNJGTEUCIFP-AWEZNQCLSA-N -1 3 351.435 3.393 20 0 FGADHM Cc1c(NC(=O)[C@H]2CCSc3ccccc32)cccc1-c1nn[n-]n1 ZINC000822067879 607296657 /nfs/dbraw/zinc/29/66/57/607296657.db2.gz LJNHNJGTEUCIFP-AWEZNQCLSA-N -1 3 351.435 3.393 20 0 FGADHM CN(C)c1cccc(CN(C)c2cc(-c3nnn[n-]3)c3ccccc3n2)c1 ZINC000821591004 607307147 /nfs/dbraw/zinc/30/71/47/607307147.db2.gz PXVPSIURRSXLLO-UHFFFAOYSA-N -1 3 359.437 3.117 20 0 FGADHM CN(C)c1cccc(CN(C)c2cc(-c3nn[n-]n3)c3ccccc3n2)c1 ZINC000821591004 607307148 /nfs/dbraw/zinc/30/71/48/607307148.db2.gz PXVPSIURRSXLLO-UHFFFAOYSA-N -1 3 359.437 3.117 20 0 FGADHM Cc1cc(F)cc(NC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822203057 607307850 /nfs/dbraw/zinc/30/78/50/607307850.db2.gz BRKNLZDLEZGVBK-UHFFFAOYSA-N -1 3 355.373 3.110 20 0 FGADHM Cc1cc(F)cc(NC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822203057 607307851 /nfs/dbraw/zinc/30/78/51/607307851.db2.gz BRKNLZDLEZGVBK-UHFFFAOYSA-N -1 3 355.373 3.110 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N([C@@H](C)C1CC1)C1CC1 ZINC000821407710 599267397 /nfs/dbraw/zinc/26/73/97/599267397.db2.gz VNIBPNUQHHRTFZ-NSHDSACASA-N -1 3 356.430 3.060 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N([C@@H](C)C1CC1)C1CC1 ZINC000821407710 599267399 /nfs/dbraw/zinc/26/73/99/599267399.db2.gz VNIBPNUQHHRTFZ-NSHDSACASA-N -1 3 356.430 3.060 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1N1CCC[C@H]1c1cccc2c1OCCO2 ZINC000737641216 599267634 /nfs/dbraw/zinc/26/76/34/599267634.db2.gz VKKPCFYWFPOUKH-HNNXBMFYSA-N -1 3 367.384 3.119 20 0 FGADHM Cc1cnc([C@H](NC(=O)Nc2cc(-c3nnn[n-]3)ccc2C)C2CC2)s1 ZINC000822389060 599271147 /nfs/dbraw/zinc/27/11/47/599271147.db2.gz KAFMZZMYUSTZIQ-CQSZACIVSA-N -1 3 369.454 3.213 20 0 FGADHM Cc1cnc([C@H](NC(=O)Nc2cc(-c3nn[n-]n3)ccc2C)C2CC2)s1 ZINC000822389060 599271149 /nfs/dbraw/zinc/27/11/49/599271149.db2.gz KAFMZZMYUSTZIQ-CQSZACIVSA-N -1 3 369.454 3.213 20 0 FGADHM CCC[C@H]1[C@@H](C)CCCN1C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC000821033486 599273926 /nfs/dbraw/zinc/27/39/26/599273926.db2.gz BTLIWLNSUHWKCC-WFASDCNBSA-N -1 3 358.446 3.308 20 0 FGADHM CCC[C@H]1[C@@H](C)CCCN1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC000821033486 599273928 /nfs/dbraw/zinc/27/39/28/599273928.db2.gz BTLIWLNSUHWKCC-WFASDCNBSA-N -1 3 358.446 3.308 20 0 FGADHM COCc1nc(CSc2ccc(-c3nnn[n-]3)cc2Cl)cs1 ZINC000826165604 607843759 /nfs/dbraw/zinc/84/37/59/607843759.db2.gz BTSBZUOWIACKKV-UHFFFAOYSA-N -1 3 353.860 3.415 20 0 FGADHM COCc1nc(CSc2ccc(-c3nn[n-]n3)cc2Cl)cs1 ZINC000826165604 607843760 /nfs/dbraw/zinc/84/37/60/607843760.db2.gz BTSBZUOWIACKKV-UHFFFAOYSA-N -1 3 353.860 3.415 20 0 FGADHM CC(C)(Cc1ccccc1)C(=O)OCc1ccc(-c2nnn[n-]2)cc1F ZINC000735670641 599278049 /nfs/dbraw/zinc/27/80/49/599278049.db2.gz FXVUBRYMDDCMHN-UHFFFAOYSA-N -1 3 354.385 3.318 20 0 FGADHM CC(C)(Cc1ccccc1)C(=O)OCc1ccc(-c2nn[n-]n2)cc1F ZINC000735670641 599278052 /nfs/dbraw/zinc/27/80/52/599278052.db2.gz FXVUBRYMDDCMHN-UHFFFAOYSA-N -1 3 354.385 3.318 20 0 FGADHM CCc1noc(-c2ccc(C)c(NCc3cccc(-c4nnn[n-]4)c3)c2)n1 ZINC000821552913 607318345 /nfs/dbraw/zinc/31/83/45/607318345.db2.gz AZJJVRBGNXAXPF-UHFFFAOYSA-N -1 3 361.409 3.400 20 0 FGADHM CCc1noc(-c2ccc(C)c(NCc3cccc(-c4nn[n-]n4)c3)c2)n1 ZINC000821552913 607318346 /nfs/dbraw/zinc/31/83/46/607318346.db2.gz AZJJVRBGNXAXPF-UHFFFAOYSA-N -1 3 361.409 3.400 20 0 FGADHM CCOCCCOC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000736615768 599286064 /nfs/dbraw/zinc/28/60/64/599286064.db2.gz NDKPUFTWLDRZPN-UHFFFAOYSA-N -1 3 352.394 3.117 20 0 FGADHM CCOCCCOC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000736615768 599286065 /nfs/dbraw/zinc/28/60/65/599286065.db2.gz NDKPUFTWLDRZPN-UHFFFAOYSA-N -1 3 352.394 3.117 20 0 FGADHM CCN(CC1CC1)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000821197973 599292045 /nfs/dbraw/zinc/29/20/45/599292045.db2.gz PXSFXTKDLYDXPE-UHFFFAOYSA-N -1 3 354.336 3.149 20 0 FGADHM CCN(CC1CC1)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821197973 599292048 /nfs/dbraw/zinc/29/20/48/599292048.db2.gz PXSFXTKDLYDXPE-UHFFFAOYSA-N -1 3 354.336 3.149 20 0 FGADHM CN(Cc1nccn1C(F)F)c1ccc(C(F)(F)F)c(-c2nnn[n-]2)c1 ZINC000821618113 607346320 /nfs/dbraw/zinc/34/63/20/607346320.db2.gz QPBHRZHLOIFDPZ-UHFFFAOYSA-N -1 3 373.289 3.114 20 0 FGADHM CN(Cc1nccn1C(F)F)c1ccc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC000821618113 607346322 /nfs/dbraw/zinc/34/63/22/607346322.db2.gz QPBHRZHLOIFDPZ-UHFFFAOYSA-N -1 3 373.289 3.114 20 0 FGADHM Cc1nccn1-c1ccc(CNc2ccc(-c3nn[n-]n3)cc2F)cc1F ZINC000737500177 598241728 /nfs/dbraw/zinc/24/17/28/598241728.db2.gz DEBJUGFIODWVNA-UHFFFAOYSA-N -1 3 367.363 3.251 20 0 FGADHM Cc1ccc(N(CC(=O)Nc2cccc(-c3nnn[n-]3)c2)C(C)C)cc1 ZINC000737347040 598251692 /nfs/dbraw/zinc/25/16/92/598251692.db2.gz LECVPKFFQQHOSM-UHFFFAOYSA-N -1 3 350.426 3.029 20 0 FGADHM Cc1ccc(N(CC(=O)Nc2cccc(-c3nn[n-]n3)c2)C(C)C)cc1 ZINC000737347040 598251694 /nfs/dbraw/zinc/25/16/94/598251694.db2.gz LECVPKFFQQHOSM-UHFFFAOYSA-N -1 3 350.426 3.029 20 0 FGADHM CCN(CCOc1ccccc1-c1nnn[n-]1)Cc1c(F)cccc1F ZINC000736542364 598257159 /nfs/dbraw/zinc/25/71/59/598257159.db2.gz QQZMWRHXMXGIID-UHFFFAOYSA-N -1 3 359.380 3.046 20 0 FGADHM CCN(CCOc1ccccc1-c1nn[n-]n1)Cc1c(F)cccc1F ZINC000736542364 598257161 /nfs/dbraw/zinc/25/71/61/598257161.db2.gz QQZMWRHXMXGIID-UHFFFAOYSA-N -1 3 359.380 3.046 20 0 FGADHM Fc1ccc([C@@H]2CN(c3ccc(-c4nnn[n-]4)c(Cl)c3)CCO2)cc1 ZINC000737652311 598275725 /nfs/dbraw/zinc/27/57/25/598275725.db2.gz WORQYUNOFYTQBX-INIZCTEOSA-N -1 3 359.792 3.237 20 0 FGADHM Fc1ccc([C@@H]2CN(c3ccc(-c4nn[n-]n4)c(Cl)c3)CCO2)cc1 ZINC000737652311 598275727 /nfs/dbraw/zinc/27/57/27/598275727.db2.gz WORQYUNOFYTQBX-INIZCTEOSA-N -1 3 359.792 3.237 20 0 FGADHM CC1CCC(N(C)C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)CC1 ZINC000736238130 598276384 /nfs/dbraw/zinc/27/63/84/598276384.db2.gz BDCKFVCQTCJEBV-UHFFFAOYSA-N -1 3 359.478 3.466 20 0 FGADHM CC1CCC(N(C)C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)CC1 ZINC000736238130 598276385 /nfs/dbraw/zinc/27/63/85/598276385.db2.gz BDCKFVCQTCJEBV-UHFFFAOYSA-N -1 3 359.478 3.466 20 0 FGADHM C[C@@H](c1ccccn1)N(C)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736201768 598281206 /nfs/dbraw/zinc/28/12/06/598281206.db2.gz HSSAQUXDBXSZAK-LBPRGKRZSA-N -1 3 368.445 3.043 20 0 FGADHM C[C@@H](c1ccccn1)N(C)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736201768 598281209 /nfs/dbraw/zinc/28/12/09/598281209.db2.gz HSSAQUXDBXSZAK-LBPRGKRZSA-N -1 3 368.445 3.043 20 0 FGADHM CCOc1cc2c(cc1NCc1ccc(-c3nnn[n-]3)cc1F)O[C@H](C)C2 ZINC000736636750 598283159 /nfs/dbraw/zinc/28/31/59/598283159.db2.gz RQIIUOURNOXLHP-LLVKDONJSA-N -1 3 369.400 3.340 20 0 FGADHM CCOc1cc2c(cc1NCc1ccc(-c3nn[n-]n3)cc1F)O[C@H](C)C2 ZINC000736636750 598283160 /nfs/dbraw/zinc/28/31/60/598283160.db2.gz RQIIUOURNOXLHP-LLVKDONJSA-N -1 3 369.400 3.340 20 0 FGADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1ccc(F)c(Cl)c1 ZINC000736817499 598285609 /nfs/dbraw/zinc/28/56/09/598285609.db2.gz BEJCSSFCJQINOC-UHFFFAOYSA-N -1 3 374.807 3.001 20 0 FGADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1ccc(F)c(Cl)c1 ZINC000736817499 598285610 /nfs/dbraw/zinc/28/56/10/598285610.db2.gz BEJCSSFCJQINOC-UHFFFAOYSA-N -1 3 374.807 3.001 20 0 FGADHM O=C(OCCOc1ccc(-c2nn[n-]n2)cc1)c1cccc(C(F)F)c1 ZINC000738222929 598289937 /nfs/dbraw/zinc/28/99/37/598289937.db2.gz QFIKCCUABGPICK-UHFFFAOYSA-N -1 3 360.320 3.040 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N(Cc1ccccc1)C(C)C ZINC000737057040 598292595 /nfs/dbraw/zinc/29/25/95/598292595.db2.gz GCPQNMMWAMCXMM-UHFFFAOYSA-N -1 3 366.425 3.318 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N(Cc1ccccc1)C(C)C ZINC000737057040 598292597 /nfs/dbraw/zinc/29/25/97/598292597.db2.gz GCPQNMMWAMCXMM-UHFFFAOYSA-N -1 3 366.425 3.318 20 0 FGADHM O=C1[C@H](Sc2cccc(Cl)c2)CCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000738297650 598294908 /nfs/dbraw/zinc/29/49/08/598294908.db2.gz SXQMPSWBMKAKBC-OAHLLOKOSA-N -1 3 371.853 3.418 20 0 FGADHM O=C1[C@H](Sc2cccc(Cl)c2)CCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738297650 598294910 /nfs/dbraw/zinc/29/49/10/598294910.db2.gz SXQMPSWBMKAKBC-OAHLLOKOSA-N -1 3 371.853 3.418 20 0 FGADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C1(C(F)(F)F)CC1 ZINC000735829608 598295551 /nfs/dbraw/zinc/29/55/51/598295551.db2.gz MFKQYOZYMFFOKB-UHFFFAOYSA-N -1 3 367.375 3.194 20 0 FGADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C1(C(F)(F)F)CC1 ZINC000735829608 598295552 /nfs/dbraw/zinc/29/55/52/598295552.db2.gz MFKQYOZYMFFOKB-UHFFFAOYSA-N -1 3 367.375 3.194 20 0 FGADHM O=C(c1sccc1-c1nnn[n-]1)N1CC2(CCC2)c2c1cccc2F ZINC000738291395 598298032 /nfs/dbraw/zinc/29/80/32/598298032.db2.gz GKHRZCDSUNMXSL-UHFFFAOYSA-N -1 3 355.398 3.149 20 0 FGADHM O=C(c1sccc1-c1nn[n-]n1)N1CC2(CCC2)c2c1cccc2F ZINC000738291395 598298034 /nfs/dbraw/zinc/29/80/34/598298034.db2.gz GKHRZCDSUNMXSL-UHFFFAOYSA-N -1 3 355.398 3.149 20 0 FGADHM CC(=O)Nc1cccc(CSCCOc2ccccc2-c2nnn[n-]2)c1 ZINC000735488216 598299413 /nfs/dbraw/zinc/29/94/13/598299413.db2.gz GLLADPDENVMMOR-UHFFFAOYSA-N -1 3 369.450 3.137 20 0 FGADHM CC(=O)Nc1cccc(CSCCOc2ccccc2-c2nn[n-]n2)c1 ZINC000735488216 598299415 /nfs/dbraw/zinc/29/94/15/598299415.db2.gz GLLADPDENVMMOR-UHFFFAOYSA-N -1 3 369.450 3.137 20 0 FGADHM Cc1ccc(C)c(SCC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000737325144 598303421 /nfs/dbraw/zinc/30/34/21/598303421.db2.gz AKPPTIJTVSVHTJ-UHFFFAOYSA-N -1 3 371.441 3.031 20 0 FGADHM Cc1ccc(C)c(SCC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000737325144 598303422 /nfs/dbraw/zinc/30/34/22/598303422.db2.gz AKPPTIJTVSVHTJ-UHFFFAOYSA-N -1 3 371.441 3.031 20 0 FGADHM CN(C)C(=O)c1cccc(CSCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000736753463 598313651 /nfs/dbraw/zinc/31/36/51/598313651.db2.gz LGGCKGFANXFMSY-UHFFFAOYSA-N -1 3 353.451 3.002 20 0 FGADHM CN(C)C(=O)c1cccc(CSCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000736753463 598313653 /nfs/dbraw/zinc/31/36/53/598313653.db2.gz LGGCKGFANXFMSY-UHFFFAOYSA-N -1 3 353.451 3.002 20 0 FGADHM C[C@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F)c1ccc(Cl)cc1 ZINC000736116218 598317597 /nfs/dbraw/zinc/31/75/97/598317597.db2.gz DXYJBGJQJBBZFI-JTQLQIEISA-N -1 3 374.807 3.220 20 0 FGADHM C[C@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1ccc(Cl)cc1 ZINC000736116218 598317599 /nfs/dbraw/zinc/31/75/99/598317599.db2.gz DXYJBGJQJBBZFI-JTQLQIEISA-N -1 3 374.807 3.220 20 0 FGADHM C[C@@H]1CCC[C@@H](NC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000736255813 598318294 /nfs/dbraw/zinc/31/82/94/598318294.db2.gz WQMOBBUZQLZZFW-NXEZZACHSA-N -1 3 350.879 3.385 20 0 FGADHM C[C@@H]1CCC[C@@H](NC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000736255813 598318295 /nfs/dbraw/zinc/31/82/95/598318295.db2.gz WQMOBBUZQLZZFW-NXEZZACHSA-N -1 3 350.879 3.385 20 0 FGADHM CCc1cccc(CC)c1NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000736697464 598322352 /nfs/dbraw/zinc/32/23/52/598322352.db2.gz FWZDIRQPYGPTBQ-UHFFFAOYSA-N -1 3 368.416 3.452 20 0 FGADHM CCc1cccc(CC)c1NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000736697464 598322355 /nfs/dbraw/zinc/32/23/55/598322355.db2.gz FWZDIRQPYGPTBQ-UHFFFAOYSA-N -1 3 368.416 3.452 20 0 FGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)Nc1ccc(Cl)c(F)c1 ZINC000738098710 598324441 /nfs/dbraw/zinc/32/44/41/598324441.db2.gz AHHLWEFDOZZQIT-UHFFFAOYSA-N -1 3 364.743 3.120 20 0 FGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)Nc1ccc(Cl)c(F)c1 ZINC000738098710 598324442 /nfs/dbraw/zinc/32/44/42/598324442.db2.gz AHHLWEFDOZZQIT-UHFFFAOYSA-N -1 3 364.743 3.120 20 0 FGADHM CCN(C(=O)c1cccc(F)c1F)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736507493 598327363 /nfs/dbraw/zinc/32/73/63/598327363.db2.gz DKOYOXMSPYZMOQ-LLVKDONJSA-N -1 3 357.364 3.368 20 0 FGADHM CCN(C(=O)c1cccc(F)c1F)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736507493 598327364 /nfs/dbraw/zinc/32/73/64/598327364.db2.gz DKOYOXMSPYZMOQ-LLVKDONJSA-N -1 3 357.364 3.368 20 0 FGADHM CC[C@H](COC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000736355371 598331648 /nfs/dbraw/zinc/33/16/48/598331648.db2.gz ZWVRSOWUKRUESA-HUUCEWRRSA-N -1 3 366.421 3.371 20 0 FGADHM COc1ccc(Cl)cc1N1CC[C@H](Nc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737100145 598354264 /nfs/dbraw/zinc/35/42/64/598354264.db2.gz TWANCMRFRJMYBD-HNNXBMFYSA-N -1 3 370.844 3.220 20 0 FGADHM CCOc1ccc([C@@H]2CCCN2C(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821418085 607353949 /nfs/dbraw/zinc/35/39/49/607353949.db2.gz VTOPJANUXRZBEA-SFHVURJKSA-N -1 3 363.421 3.243 20 0 FGADHM CCOc1ccc([C@@H]2CCCN2C(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821418085 607353951 /nfs/dbraw/zinc/35/39/51/607353951.db2.gz VTOPJANUXRZBEA-SFHVURJKSA-N -1 3 363.421 3.243 20 0 FGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N1CCC[C@@H](Cc2ccccc2)C1 ZINC000738177628 598370861 /nfs/dbraw/zinc/37/08/61/598370861.db2.gz BHUPUMLCOYWJFG-INIZCTEOSA-N -1 3 362.437 3.353 20 0 FGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N1CCC[C@@H](Cc2ccccc2)C1 ZINC000738177628 598370863 /nfs/dbraw/zinc/37/08/63/598370863.db2.gz BHUPUMLCOYWJFG-INIZCTEOSA-N -1 3 362.437 3.353 20 0 FGADHM Cc1c(Br)cccc1NC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000737203922 598380604 /nfs/dbraw/zinc/38/06/04/598380604.db2.gz WPNDHSLLGSWLRT-UHFFFAOYSA-N -1 3 372.226 3.119 20 0 FGADHM Cc1c(Br)cccc1NC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000737203922 598380605 /nfs/dbraw/zinc/38/06/05/598380605.db2.gz WPNDHSLLGSWLRT-UHFFFAOYSA-N -1 3 372.226 3.119 20 0 FGADHM CC(C)COc1ccc(CC(=O)Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735845298 598393508 /nfs/dbraw/zinc/39/35/08/598393508.db2.gz VICACOCJRUBFMK-UHFFFAOYSA-N -1 3 352.394 3.050 20 0 FGADHM CC(C)COc1ccc(CC(=O)Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735845298 598393509 /nfs/dbraw/zinc/39/35/09/598393509.db2.gz VICACOCJRUBFMK-UHFFFAOYSA-N -1 3 352.394 3.050 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cc(C(C)=O)cs1 ZINC000736481794 598395316 /nfs/dbraw/zinc/39/53/16/598395316.db2.gz VDBJBMZXQROHJV-UHFFFAOYSA-N -1 3 369.450 3.183 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cc(C(C)=O)cs1 ZINC000736481794 598395317 /nfs/dbraw/zinc/39/53/17/598395317.db2.gz VDBJBMZXQROHJV-UHFFFAOYSA-N -1 3 369.450 3.183 20 0 FGADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)[C@@H]2C[C@@H]2c2cccc(OC)c2)s1 ZINC000736679067 598395477 /nfs/dbraw/zinc/39/54/77/598395477.db2.gz JSXAMZGEEOLDIP-ZIAGYGMSSA-N -1 3 369.450 3.241 20 0 FGADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)[C@@H]2C[C@@H]2c2cccc(OC)c2)s1 ZINC000736679067 598395478 /nfs/dbraw/zinc/39/54/78/598395478.db2.gz JSXAMZGEEOLDIP-ZIAGYGMSSA-N -1 3 369.450 3.241 20 0 FGADHM CO[C@H](C)c1cccc(N[C@@H](C)C(=O)Nc2ccccc2-c2nnn[n-]2)c1 ZINC000736962050 598396968 /nfs/dbraw/zinc/39/69/68/598396968.db2.gz MZWMYYWPXGNIJY-QWHCGFSZSA-N -1 3 366.425 3.013 20 0 FGADHM CO[C@H](C)c1cccc(N[C@@H](C)C(=O)Nc2ccccc2-c2nn[n-]n2)c1 ZINC000736962050 598396969 /nfs/dbraw/zinc/39/69/69/598396969.db2.gz MZWMYYWPXGNIJY-QWHCGFSZSA-N -1 3 366.425 3.013 20 0 FGADHM O=C1OC(c2c(F)cccc2Cl)=NC1=Cc1ccc(-c2nnn[n-]2)cc1 ZINC000738318496 598420186 /nfs/dbraw/zinc/42/01/86/598420186.db2.gz JTBTYVJDVNJSGF-MDWZMJQESA-N -1 3 369.743 3.004 20 0 FGADHM O=C1OC(c2c(F)cccc2Cl)=NC1=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000738318496 598420189 /nfs/dbraw/zinc/42/01/89/598420189.db2.gz JTBTYVJDVNJSGF-MDWZMJQESA-N -1 3 369.743 3.004 20 0 FGADHM O=C(NC1CCC1)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000738026382 598426293 /nfs/dbraw/zinc/42/62/93/598426293.db2.gz QWTVTCBFBPMMTB-UHFFFAOYSA-N -1 3 351.435 3.300 20 0 FGADHM O=C(NC1CCC1)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC000738026382 598426295 /nfs/dbraw/zinc/42/62/95/598426295.db2.gz QWTVTCBFBPMMTB-UHFFFAOYSA-N -1 3 351.435 3.300 20 0 FGADHM COc1ccccc1C[C@@H](C)CC(=O)OCc1ccccc1-c1nnn[n-]1 ZINC000737151893 598431910 /nfs/dbraw/zinc/43/19/10/598431910.db2.gz GXGYVWCLYCJMSV-CQSZACIVSA-N -1 3 366.421 3.187 20 0 FGADHM COc1ccccc1C[C@@H](C)CC(=O)OCc1ccccc1-c1nn[n-]n1 ZINC000737151893 598431911 /nfs/dbraw/zinc/43/19/11/598431911.db2.gz GXGYVWCLYCJMSV-CQSZACIVSA-N -1 3 366.421 3.187 20 0 FGADHM CCCOCCOC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000736486906 598432832 /nfs/dbraw/zinc/43/28/32/598432832.db2.gz ANUIQPQRCQEDIP-UHFFFAOYSA-N -1 3 352.394 3.117 20 0 FGADHM CCCOCCOC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000736486906 598432834 /nfs/dbraw/zinc/43/28/34/598432834.db2.gz ANUIQPQRCQEDIP-UHFFFAOYSA-N -1 3 352.394 3.117 20 0 FGADHM Cc1cc(C(=O)Nc2sccc2-c2nnn[n-]2)cc(C)c1OC(F)F ZINC000737238754 598437193 /nfs/dbraw/zinc/43/71/93/598437193.db2.gz SBNAFXRKFPUCPW-UHFFFAOYSA-N -1 3 365.365 3.399 20 0 FGADHM Cc1cc(C(=O)Nc2sccc2-c2nn[n-]n2)cc(C)c1OC(F)F ZINC000737238754 598437194 /nfs/dbraw/zinc/43/71/94/598437194.db2.gz SBNAFXRKFPUCPW-UHFFFAOYSA-N -1 3 365.365 3.399 20 0 FGADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)[C@H](C)c2ccc(OC)cc2)s1 ZINC000736679045 598447297 /nfs/dbraw/zinc/44/72/97/598447297.db2.gz JMBQUSHIJJMMCZ-SNVBAGLBSA-N -1 3 357.439 3.241 20 0 FGADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)[C@H](C)c2ccc(OC)cc2)s1 ZINC000736679045 598447298 /nfs/dbraw/zinc/44/72/98/598447298.db2.gz JMBQUSHIJJMMCZ-SNVBAGLBSA-N -1 3 357.439 3.241 20 0 FGADHM CCN(Cc1ccc2ccccc2c1)C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000736558244 598448558 /nfs/dbraw/zinc/44/85/58/598448558.db2.gz GFDMDCZEFVQDHR-UHFFFAOYSA-N -1 3 358.405 3.077 20 0 FGADHM CCN(Cc1ccc2ccccc2c1)C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000736558244 598448560 /nfs/dbraw/zinc/44/85/60/598448560.db2.gz GFDMDCZEFVQDHR-UHFFFAOYSA-N -1 3 358.405 3.077 20 0 FGADHM CC(C)(CCc1ccccc1)NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000735666633 598449554 /nfs/dbraw/zinc/44/95/54/598449554.db2.gz QGTVLJYHFJLEEJ-OUKQBFOZSA-N -1 3 361.449 3.408 20 0 FGADHM CC(C)(CCc1ccccc1)NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000735666633 598449556 /nfs/dbraw/zinc/44/95/56/598449556.db2.gz QGTVLJYHFJLEEJ-OUKQBFOZSA-N -1 3 361.449 3.408 20 0 FGADHM CC(C)Cn1ccc2cc(NC(=O)c3ccc(-c4nnn[n-]4)cn3)ccc21 ZINC000735850797 598449613 /nfs/dbraw/zinc/44/96/13/598449613.db2.gz IQVAVZQGTJENOK-UHFFFAOYSA-N -1 3 361.409 3.125 20 0 FGADHM CC(C)Cn1ccc2cc(NC(=O)c3ccc(-c4nn[n-]n4)cn3)ccc21 ZINC000735850797 598449614 /nfs/dbraw/zinc/44/96/14/598449614.db2.gz IQVAVZQGTJENOK-UHFFFAOYSA-N -1 3 361.409 3.125 20 0 FGADHM CSCc1ccc(NC(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000737182301 598450281 /nfs/dbraw/zinc/45/02/81/598450281.db2.gz QGUGQPUZIZFAKY-LBPRGKRZSA-N -1 3 369.450 3.136 20 0 FGADHM CSCc1ccc(NC(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000737182301 598450283 /nfs/dbraw/zinc/45/02/83/598450283.db2.gz QGUGQPUZIZFAKY-LBPRGKRZSA-N -1 3 369.450 3.136 20 0 FGADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)Nc1cccc(SC(F)F)c1 ZINC000737956058 598450467 /nfs/dbraw/zinc/45/04/67/598450467.db2.gz TUBMRADYEUPPPD-UHFFFAOYSA-N -1 3 361.377 3.363 20 0 FGADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)Nc1cccc(SC(F)F)c1 ZINC000737956058 598450468 /nfs/dbraw/zinc/45/04/68/598450468.db2.gz TUBMRADYEUPPPD-UHFFFAOYSA-N -1 3 361.377 3.363 20 0 FGADHM O=C(c1ccc(-c2nnn[n-]2)cn1)N1Cc2ccccc2-c2ccccc2C1 ZINC000738258623 598463995 /nfs/dbraw/zinc/46/39/95/598463995.db2.gz JCYAFRRCVBTEEY-UHFFFAOYSA-N -1 3 368.400 3.085 20 0 FGADHM O=C(c1ccc(-c2nn[n-]n2)cn1)N1Cc2ccccc2-c2ccccc2C1 ZINC000738258623 598463996 /nfs/dbraw/zinc/46/39/96/598463996.db2.gz JCYAFRRCVBTEEY-UHFFFAOYSA-N -1 3 368.400 3.085 20 0 FGADHM COc1cc(Cl)ccc1CNc1nc2c(cc1-c1nnn[n-]1)CCC2 ZINC000737047899 598468955 /nfs/dbraw/zinc/46/89/55/598468955.db2.gz UFFZXLNDMAXMLC-UHFFFAOYSA-N -1 3 356.817 3.025 20 0 FGADHM COc1cc(Cl)ccc1CNc1nc2c(cc1-c1nn[n-]n1)CCC2 ZINC000737047899 598468957 /nfs/dbraw/zinc/46/89/57/598468957.db2.gz UFFZXLNDMAXMLC-UHFFFAOYSA-N -1 3 356.817 3.025 20 0 FGADHM COC(=O)[C@@H](c1cccc(-c2nnn[n-]2)c1)N(C)c1ccc2ccccc2c1 ZINC000821649929 607357716 /nfs/dbraw/zinc/35/77/16/607357716.db2.gz GSIKLHUFXAZVED-LJQANCHMSA-N -1 3 373.416 3.370 20 0 FGADHM COC(=O)[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)c1ccc2ccccc2c1 ZINC000821649929 607357717 /nfs/dbraw/zinc/35/77/17/607357717.db2.gz GSIKLHUFXAZVED-LJQANCHMSA-N -1 3 373.416 3.370 20 0 FGADHM Fc1ccc(OC[C@@H]2CCCO2)c(NCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737657531 598470838 /nfs/dbraw/zinc/47/08/38/598470838.db2.gz WTQAOXVXOOZGKS-INIZCTEOSA-N -1 3 369.400 3.176 20 0 FGADHM Fc1ccc(OC[C@@H]2CCCO2)c(NCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737657531 598470840 /nfs/dbraw/zinc/47/08/40/598470840.db2.gz WTQAOXVXOOZGKS-INIZCTEOSA-N -1 3 369.400 3.176 20 0 FGADHM O=C(Nc1ccc(N2CCCC2)c(Cl)c1)c1sccc1-c1nnn[n-]1 ZINC000738175302 598474776 /nfs/dbraw/zinc/47/47/76/598474776.db2.gz WZERUMPEQPPJHR-UHFFFAOYSA-N -1 3 374.857 3.434 20 0 FGADHM O=C(Nc1ccc(N2CCCC2)c(Cl)c1)c1sccc1-c1nn[n-]n1 ZINC000738175302 598474777 /nfs/dbraw/zinc/47/47/77/598474777.db2.gz WZERUMPEQPPJHR-UHFFFAOYSA-N -1 3 374.857 3.434 20 0 FGADHM COc1ccccc1C(C)=CC(=O)OCc1ccccc1-c1nnn[n-]1 ZINC000737141105 598475016 /nfs/dbraw/zinc/47/50/16/598475016.db2.gz GTTLXEYEJBSDRK-ACCUITESSA-N -1 3 350.378 3.022 20 0 FGADHM COc1ccccc1C(C)=CC(=O)OCc1ccccc1-c1nn[n-]n1 ZINC000737141105 598475017 /nfs/dbraw/zinc/47/50/17/598475017.db2.gz GTTLXEYEJBSDRK-ACCUITESSA-N -1 3 350.378 3.022 20 0 FGADHM CSCc1ccc(NC(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737181962 598477290 /nfs/dbraw/zinc/47/72/90/598477290.db2.gz PDSHIEJQCHPENU-UHFFFAOYSA-N -1 3 368.466 3.394 20 0 FGADHM CSCc1ccc(NC(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737181962 598477292 /nfs/dbraw/zinc/47/72/92/598477292.db2.gz PDSHIEJQCHPENU-UHFFFAOYSA-N -1 3 368.466 3.394 20 0 FGADHM CC(C)Oc1cccc(OC(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)c1 ZINC000735913834 598484660 /nfs/dbraw/zinc/48/46/60/598484660.db2.gz RVWGUVVWVHHIIU-ZDUSSCGKSA-N -1 3 368.393 3.027 20 0 FGADHM CC(C)Oc1cccc(OC(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)c1 ZINC000735913834 598484661 /nfs/dbraw/zinc/48/46/61/598484661.db2.gz RVWGUVVWVHHIIU-ZDUSSCGKSA-N -1 3 368.393 3.027 20 0 FGADHM C[C@@H](Oc1ccccc1F)C(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000736191017 598486439 /nfs/dbraw/zinc/48/64/39/598486439.db2.gz VGVWROUYZVQJHG-NWDGAFQWSA-N -1 3 356.357 3.078 20 0 FGADHM C[C@@H](Oc1ccccc1F)C(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000736191017 598486441 /nfs/dbraw/zinc/48/64/41/598486441.db2.gz VGVWROUYZVQJHG-NWDGAFQWSA-N -1 3 356.357 3.078 20 0 FGADHM C[C@H](OC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000736148503 598486920 /nfs/dbraw/zinc/48/69/20/598486920.db2.gz DGPCGDBKDVXDRG-MZPVMMEZSA-N -1 3 352.369 3.414 20 0 FGADHM C[C@H](OC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000736148503 598486922 /nfs/dbraw/zinc/48/69/22/598486922.db2.gz DGPCGDBKDVXDRG-MZPVMMEZSA-N -1 3 352.369 3.414 20 0 FGADHM CC(C)c1nc(C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)cs1 ZINC000735940597 598488286 /nfs/dbraw/zinc/48/82/86/598488286.db2.gz RTPHLLPNLHWBBW-UHFFFAOYSA-N -1 3 359.459 3.255 20 0 FGADHM CC(C)c1nc(C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)cs1 ZINC000735940597 598488288 /nfs/dbraw/zinc/48/82/88/598488288.db2.gz RTPHLLPNLHWBBW-UHFFFAOYSA-N -1 3 359.459 3.255 20 0 FGADHM CCOc1ccc(CC(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736643098 598492335 /nfs/dbraw/zinc/49/23/35/598492335.db2.gz DAFNLDQOAAOVIK-CYBMUJFWSA-N -1 3 352.394 3.112 20 0 FGADHM CCOc1ccc(CC(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736643098 598492336 /nfs/dbraw/zinc/49/23/36/598492336.db2.gz DAFNLDQOAAOVIK-CYBMUJFWSA-N -1 3 352.394 3.112 20 0 FGADHM Cc1ccc(C(=O)CCC(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737308397 598492402 /nfs/dbraw/zinc/49/24/02/598492402.db2.gz LYISFVMCDAHCJB-AWEZNQCLSA-N -1 3 364.405 3.442 20 0 FGADHM Cc1ccc(C(=O)CCC(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737308397 598492403 /nfs/dbraw/zinc/49/24/03/598492403.db2.gz LYISFVMCDAHCJB-AWEZNQCLSA-N -1 3 364.405 3.442 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)Cc1cccc(Cl)c1 ZINC000736627052 598494502 /nfs/dbraw/zinc/49/45/02/598494502.db2.gz IDXFLDSHCAPOKC-UHFFFAOYSA-N -1 3 358.785 3.067 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)Cc1cccc(Cl)c1 ZINC000736627052 598494503 /nfs/dbraw/zinc/49/45/03/598494503.db2.gz IDXFLDSHCAPOKC-UHFFFAOYSA-N -1 3 358.785 3.067 20 0 FGADHM Clc1cc(NC[C@H]2CCN(c3ccccc3)C2)ccc1-c1nnn[n-]1 ZINC000737567254 598508403 /nfs/dbraw/zinc/50/84/03/598508403.db2.gz YSYFEGFXYGLEDV-CYBMUJFWSA-N -1 3 354.845 3.459 20 0 FGADHM Clc1cc(NC[C@H]2CCN(c3ccccc3)C2)ccc1-c1nn[n-]n1 ZINC000737567254 598508404 /nfs/dbraw/zinc/50/84/04/598508404.db2.gz YSYFEGFXYGLEDV-CYBMUJFWSA-N -1 3 354.845 3.459 20 0 FGADHM CCc1c(C)sc(NC(=O)[C@H](C)Oc2ccccc2)c1-c1nnn[n-]1 ZINC000736670769 598516745 /nfs/dbraw/zinc/51/67/45/598516745.db2.gz QSRFOMBQVAFHHE-JTQLQIEISA-N -1 3 357.439 3.205 20 0 FGADHM CCc1c(C)sc(NC(=O)[C@H](C)Oc2ccccc2)c1-c1nn[n-]n1 ZINC000736670769 598516746 /nfs/dbraw/zinc/51/67/46/598516746.db2.gz QSRFOMBQVAFHHE-JTQLQIEISA-N -1 3 357.439 3.205 20 0 FGADHM CCc1ccc([C@@H](C)C(=O)OCCOc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736685088 598532988 /nfs/dbraw/zinc/53/29/88/598532988.db2.gz FAWMDYUBMPUHCB-CQSZACIVSA-N -1 3 366.421 3.155 20 0 FGADHM CCc1ccc([C@@H](C)C(=O)OCCOc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736685088 598532989 /nfs/dbraw/zinc/53/29/89/598532989.db2.gz FAWMDYUBMPUHCB-CQSZACIVSA-N -1 3 366.421 3.155 20 0 FGADHM CCCN(Cc1noc2c1CCCC2)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736479311 598537257 /nfs/dbraw/zinc/53/72/57/598537257.db2.gz DUCBQZAMBHQSMG-UHFFFAOYSA-N -1 3 352.442 3.146 20 0 FGADHM CCc1ccsc1C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000736702254 598545093 /nfs/dbraw/zinc/54/50/93/598545093.db2.gz MVSSHWYBEVDIHG-UHFFFAOYSA-N -1 3 365.365 3.344 20 0 FGADHM CCc1ccsc1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000736702254 598545095 /nfs/dbraw/zinc/54/50/95/598545095.db2.gz MVSSHWYBEVDIHG-UHFFFAOYSA-N -1 3 365.365 3.344 20 0 FGADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)c1ccc2cc[nH]c2c1 ZINC000738144706 598546047 /nfs/dbraw/zinc/54/60/47/598546047.db2.gz DFWKXBHXVOKWLG-UHFFFAOYSA-N -1 3 370.319 3.202 20 0 FGADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)c1ccc2cc[nH]c2c1 ZINC000738144706 598546048 /nfs/dbraw/zinc/54/60/48/598546048.db2.gz DFWKXBHXVOKWLG-UHFFFAOYSA-N -1 3 370.319 3.202 20 0 FGADHM CCc1ccc2c(COc3ccc(-c4nnn[n-]4)c(F)c3)cc(=O)oc2c1 ZINC000736691797 598550309 /nfs/dbraw/zinc/55/03/09/598550309.db2.gz RFZUZVBKUSXYIF-UHFFFAOYSA-N -1 3 366.352 3.254 20 0 FGADHM CCc1ccc2c(COc3ccc(-c4nn[n-]n4)c(F)c3)cc(=O)oc2c1 ZINC000736691797 598550310 /nfs/dbraw/zinc/55/03/10/598550310.db2.gz RFZUZVBKUSXYIF-UHFFFAOYSA-N -1 3 366.352 3.254 20 0 FGADHM C[C@@H](C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C)c1ccccc1F ZINC000735550892 598552935 /nfs/dbraw/zinc/55/29/35/598552935.db2.gz MRBTYJRICVVTKB-LLVKDONJSA-N -1 3 356.405 3.305 20 0 FGADHM C[C@@H](C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C)c1ccccc1F ZINC000735550892 598552936 /nfs/dbraw/zinc/55/29/36/598552936.db2.gz MRBTYJRICVVTKB-LLVKDONJSA-N -1 3 356.405 3.305 20 0 FGADHM COCCCC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736980305 598553623 /nfs/dbraw/zinc/55/36/23/598553623.db2.gz ZELKWSUUIYVWML-UHFFFAOYSA-N -1 3 353.382 3.024 20 0 FGADHM COCCCC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736980305 598553625 /nfs/dbraw/zinc/55/36/25/598553625.db2.gz ZELKWSUUIYVWML-UHFFFAOYSA-N -1 3 353.382 3.024 20 0 FGADHM CS[C@@H](C)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737170654 598553662 /nfs/dbraw/zinc/55/36/62/598553662.db2.gz KFLAHPLDZGQSPR-NSHDSACASA-N -1 3 355.423 3.349 20 0 FGADHM CS[C@@H](C)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737170654 598553663 /nfs/dbraw/zinc/55/36/63/598553663.db2.gz KFLAHPLDZGQSPR-NSHDSACASA-N -1 3 355.423 3.349 20 0 FGADHM Cc1ccc(CN(C)C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)s1 ZINC000737340434 598554518 /nfs/dbraw/zinc/55/45/18/598554518.db2.gz FUQUJQQYHMLNMS-UHFFFAOYSA-N -1 3 373.486 3.457 20 0 FGADHM Cc1ccc(CN(C)C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)s1 ZINC000737340434 598554520 /nfs/dbraw/zinc/55/45/20/598554520.db2.gz FUQUJQQYHMLNMS-UHFFFAOYSA-N -1 3 373.486 3.457 20 0 FGADHM Cc1cnc(-c2cccc(NC(=O)Cc3ccc(-c4nnn[n-]4)cc3)c2)o1 ZINC000737446772 598555283 /nfs/dbraw/zinc/55/52/83/598555283.db2.gz UUSKUPFWPJBVJV-UHFFFAOYSA-N -1 3 360.377 3.011 20 0 FGADHM Cc1cnc(-c2cccc(NC(=O)Cc3ccc(-c4nn[n-]n4)cc3)c2)o1 ZINC000737446772 598555285 /nfs/dbraw/zinc/55/52/85/598555285.db2.gz UUSKUPFWPJBVJV-UHFFFAOYSA-N -1 3 360.377 3.011 20 0 FGADHM Cc1cc(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)on1 ZINC000737238734 598555606 /nfs/dbraw/zinc/55/56/06/598555606.db2.gz RKZWHDJHQICDNB-UHFFFAOYSA-N -1 3 362.349 3.208 20 0 FGADHM Cc1cc(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)on1 ZINC000737238734 598555607 /nfs/dbraw/zinc/55/56/07/598555607.db2.gz RKZWHDJHQICDNB-UHFFFAOYSA-N -1 3 362.349 3.208 20 0 FGADHM O=C(Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)NC1CCC1 ZINC000738173909 598564604 /nfs/dbraw/zinc/56/46/04/598564604.db2.gz VLUFWYVGBOEPMU-UHFFFAOYSA-N -1 3 350.382 3.333 20 0 FGADHM O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)NC1CCC1 ZINC000738173909 598564606 /nfs/dbraw/zinc/56/46/06/598564606.db2.gz VLUFWYVGBOEPMU-UHFFFAOYSA-N -1 3 350.382 3.333 20 0 FGADHM Cc1nc(CCNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cs1 ZINC000737470927 598573645 /nfs/dbraw/zinc/57/36/45/598573645.db2.gz DLGCIGJRIBSWIM-UHFFFAOYSA-N -1 3 354.361 3.305 20 0 FGADHM Cc1nc(CCNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cs1 ZINC000737470927 598573647 /nfs/dbraw/zinc/57/36/47/598573647.db2.gz DLGCIGJRIBSWIM-UHFFFAOYSA-N -1 3 354.361 3.305 20 0 FGADHM CCN1C(=O)c2cc(Cl)ccc2N[C@@H]1c1ccc(-c2nnn[n-]2)cc1 ZINC000736565847 598581526 /nfs/dbraw/zinc/58/15/26/598581526.db2.gz RYEBDWUQWHOUOH-INIZCTEOSA-N -1 3 354.801 3.107 20 0 FGADHM CCN1C(=O)c2cc(Cl)ccc2N[C@@H]1c1ccc(-c2nn[n-]n2)cc1 ZINC000736565847 598581528 /nfs/dbraw/zinc/58/15/28/598581528.db2.gz RYEBDWUQWHOUOH-INIZCTEOSA-N -1 3 354.801 3.107 20 0 FGADHM Cc1nc(-c2ccco2)ccc1C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737464062 598583631 /nfs/dbraw/zinc/58/36/31/598583631.db2.gz CZCLDCUWPOBPBH-UHFFFAOYSA-N -1 3 364.340 3.222 20 0 FGADHM Cc1nc(-c2ccco2)ccc1C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737464062 598583633 /nfs/dbraw/zinc/58/36/33/598583633.db2.gz CZCLDCUWPOBPBH-UHFFFAOYSA-N -1 3 364.340 3.222 20 0 FGADHM O=C(Cc1c[nH]c2cc(Cl)ccc12)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737954690 598583726 /nfs/dbraw/zinc/58/37/26/598583726.db2.gz PLRDXXRLIRTYRE-UHFFFAOYSA-N -1 3 370.775 3.322 20 0 FGADHM O=C(Cc1c[nH]c2cc(Cl)ccc12)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737954690 598583728 /nfs/dbraw/zinc/58/37/28/598583728.db2.gz PLRDXXRLIRTYRE-UHFFFAOYSA-N -1 3 370.775 3.322 20 0 FGADHM C[C@@H]1CCc2c(C(=O)Nc3ccc(F)c(-c4nnn[n-]4)c3)csc2C1 ZINC000736280873 598590383 /nfs/dbraw/zinc/59/03/83/598590383.db2.gz QVZVCYJWOVWYGT-SECBINFHSA-N -1 3 357.414 3.444 20 0 FGADHM C[C@@H]1CCc2c(C(=O)Nc3ccc(F)c(-c4nn[n-]n4)c3)csc2C1 ZINC000736280873 598590385 /nfs/dbraw/zinc/59/03/85/598590385.db2.gz QVZVCYJWOVWYGT-SECBINFHSA-N -1 3 357.414 3.444 20 0 FGADHM O=C(C=Cc1ccc2ccccc2n1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737795538 598590848 /nfs/dbraw/zinc/59/08/48/598590848.db2.gz ADOVSWSQSBSSDL-CSKARUKUSA-N -1 3 360.352 3.206 20 0 FGADHM O=C(C=Cc1ccc2ccccc2n1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737795538 598590849 /nfs/dbraw/zinc/59/08/49/598590849.db2.gz ADOVSWSQSBSSDL-CSKARUKUSA-N -1 3 360.352 3.206 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(Br)s1 ZINC000738168404 598591386 /nfs/dbraw/zinc/59/13/86/598591386.db2.gz ZYVDKZIYMITEOP-UHFFFAOYSA-N -1 3 368.191 3.082 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(Br)s1 ZINC000738168404 598591388 /nfs/dbraw/zinc/59/13/88/598591388.db2.gz ZYVDKZIYMITEOP-UHFFFAOYSA-N -1 3 368.191 3.082 20 0 FGADHM CCc1cc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)nc(-c2ccccn2)n1 ZINC000736676265 598592291 /nfs/dbraw/zinc/59/22/91/598592291.db2.gz CXIQPVVAIDOZCR-CYBMUJFWSA-N -1 3 372.436 3.454 20 0 FGADHM CCc1cc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)nc(-c2ccccn2)n1 ZINC000736676265 598592292 /nfs/dbraw/zinc/59/22/92/598592292.db2.gz CXIQPVVAIDOZCR-CYBMUJFWSA-N -1 3 372.436 3.454 20 0 FGADHM C[C@H]1C[C@@H]1C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000736236904 598593093 /nfs/dbraw/zinc/59/30/93/598593093.db2.gz TWPYDPINSSCYPM-NHYWBVRUSA-N -1 3 367.384 3.179 20 0 FGADHM C[C@H]1C[C@@H]1C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000736236904 598593095 /nfs/dbraw/zinc/59/30/95/598593095.db2.gz TWPYDPINSSCYPM-NHYWBVRUSA-N -1 3 367.384 3.179 20 0 FGADHM CCC[C@@H](NC(=O)COc1ccc(-c2nn[n-]n2)cc1)C1CCCCC1 ZINC000736430498 598593383 /nfs/dbraw/zinc/59/33/83/598593383.db2.gz OJMQALHFIZTFGY-QGZVFWFLSA-N -1 3 357.458 3.111 20 0 FGADHM O=C(NCC1(Sc2ccccc2)CC1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000738041315 598596975 /nfs/dbraw/zinc/59/69/75/598596975.db2.gz ZGMSWNQNBKHHHA-UHFFFAOYSA-N -1 3 366.450 3.313 20 0 FGADHM O=C(NCC1(Sc2ccccc2)CC1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000738041315 598596977 /nfs/dbraw/zinc/59/69/77/598596977.db2.gz ZGMSWNQNBKHHHA-UHFFFAOYSA-N -1 3 366.450 3.313 20 0 FGADHM Cc1cc(C(=O)CCC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c(C)s1 ZINC000737230527 598598789 /nfs/dbraw/zinc/59/87/89/598598789.db2.gz HQWWGFRAUIMTFW-UHFFFAOYSA-N -1 3 373.413 3.286 20 0 FGADHM Cc1cc(C(=O)CCC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c(C)s1 ZINC000737230527 598598790 /nfs/dbraw/zinc/59/87/90/598598790.db2.gz HQWWGFRAUIMTFW-UHFFFAOYSA-N -1 3 373.413 3.286 20 0 FGADHM CCc1cccc2c(CC(=O)OCc3ccc(-c4nnn[n-]4)cc3)c[nH]c21 ZINC000736694988 598599752 /nfs/dbraw/zinc/59/97/52/598599752.db2.gz FVPPQLLGNRAOPN-UHFFFAOYSA-N -1 3 361.405 3.196 20 0 FGADHM CCc1cccc2c(CC(=O)OCc3ccc(-c4nn[n-]n4)cc3)c[nH]c21 ZINC000736694988 598599753 /nfs/dbraw/zinc/59/97/53/598599753.db2.gz FVPPQLLGNRAOPN-UHFFFAOYSA-N -1 3 361.405 3.196 20 0 FGADHM CCC[C@H](NC(=O)CNc1ccc(-c2nn[n-]n2)cc1)C1CCCCC1 ZINC000736430513 598600036 /nfs/dbraw/zinc/60/00/36/598600036.db2.gz QAGNEGNJUGSNOA-KRWDZBQOSA-N -1 3 356.474 3.144 20 0 FGADHM CC(C)c1cccc(NC(=O)CNc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000735928428 598603233 /nfs/dbraw/zinc/60/32/33/598603233.db2.gz MJPBMBSMLKJBFU-UHFFFAOYSA-N -1 3 354.389 3.180 20 0 FGADHM CC(C)c1cccc(NC(=O)CNc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000735928428 598603235 /nfs/dbraw/zinc/60/32/35/598603235.db2.gz MJPBMBSMLKJBFU-UHFFFAOYSA-N -1 3 354.389 3.180 20 0 FGADHM CCC[C@@H]1CCCC[C@H]1NC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736435397 598617415 /nfs/dbraw/zinc/61/74/15/598617415.db2.gz LKZQIQNZMJJISL-NVXWUHKLSA-N -1 3 356.474 3.367 20 0 FGADHM CCC[C@@H]1CCCC[C@H]1NC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736435397 598617416 /nfs/dbraw/zinc/61/74/16/598617416.db2.gz LKZQIQNZMJJISL-NVXWUHKLSA-N -1 3 356.474 3.367 20 0 FGADHM C[C@@H](NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)C(C)(C)c1ccccc1 ZINC000736119368 598625818 /nfs/dbraw/zinc/62/58/18/598625818.db2.gz YCGINYJITPOFCM-GFCCVEGCSA-N -1 3 368.416 3.494 20 0 FGADHM C[C@@H](NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)C(C)(C)c1ccccc1 ZINC000736119368 598625819 /nfs/dbraw/zinc/62/58/19/598625819.db2.gz YCGINYJITPOFCM-GFCCVEGCSA-N -1 3 368.416 3.494 20 0 FGADHM Cc1cccc(N2CCN(c3c(Cl)cccc3-c3nn[n-]n3)CC2)c1 ZINC000737398551 598631543 /nfs/dbraw/zinc/63/15/43/598631543.db2.gz IBJBFDQIMMYBBA-UHFFFAOYSA-N -1 3 354.845 3.155 20 0 FGADHM Cc1cccc(N2CCN(c3c(Cl)cccc3-c3nnn[n-]3)CC2)c1 ZINC000737398551 598631542 /nfs/dbraw/zinc/63/15/42/598631542.db2.gz IBJBFDQIMMYBBA-UHFFFAOYSA-N -1 3 354.845 3.155 20 0 FGADHM C[C@@H]1c2ccsc2CCN1C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736305101 598631720 /nfs/dbraw/zinc/63/17/20/598631720.db2.gz SVNLJLNNIQISEK-SECBINFHSA-N -1 3 358.402 3.219 20 0 FGADHM C[C@@H]1c2ccsc2CCN1C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736305101 598631721 /nfs/dbraw/zinc/63/17/21/598631721.db2.gz SVNLJLNNIQISEK-SECBINFHSA-N -1 3 358.402 3.219 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N(Cc1ccccc1F)C1CC1 ZINC000738163747 598633330 /nfs/dbraw/zinc/63/33/30/598633330.db2.gz UDTRLDCAQJKYEH-UHFFFAOYSA-N -1 3 370.363 3.341 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N(Cc1ccccc1F)C1CC1 ZINC000738163747 598633331 /nfs/dbraw/zinc/63/33/31/598633331.db2.gz UDTRLDCAQJKYEH-UHFFFAOYSA-N -1 3 370.363 3.341 20 0 FGADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)OCc1ccccc1 ZINC000737840987 598645457 /nfs/dbraw/zinc/64/54/57/598645457.db2.gz HNIDYXIYJDWQEC-UHFFFAOYSA-N -1 3 352.394 3.159 20 0 FGADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)OCc1ccccc1 ZINC000737840987 598645460 /nfs/dbraw/zinc/64/54/60/598645460.db2.gz HNIDYXIYJDWQEC-UHFFFAOYSA-N -1 3 352.394 3.159 20 0 FGADHM CC(C)(CNC(=S)Nc1ccccc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000735670177 598645779 /nfs/dbraw/zinc/64/57/79/598645779.db2.gz HKOUXGLKBOGBJS-UHFFFAOYSA-N -1 3 370.457 3.270 20 0 FGADHM CC(C)(CNC(=S)Nc1ccccc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000735670177 598645782 /nfs/dbraw/zinc/64/57/82/598645782.db2.gz HKOUXGLKBOGBJS-UHFFFAOYSA-N -1 3 370.457 3.270 20 0 FGADHM C[C@@H]1CCCC[C@H]1NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736267040 598646110 /nfs/dbraw/zinc/64/61/10/598646110.db2.gz ADKGNFBAGGQIRZ-RHSMWYFYSA-N -1 3 357.458 3.111 20 0 FGADHM C[C@@H]1CCCC[C@H]1NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736267040 598646112 /nfs/dbraw/zinc/64/61/12/598646112.db2.gz ADKGNFBAGGQIRZ-RHSMWYFYSA-N -1 3 357.458 3.111 20 0 FGADHM CC(C)c1ocnc1C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000735954200 598646129 /nfs/dbraw/zinc/64/61/29/598646129.db2.gz VFYUTICBTFUJDC-UHFFFAOYSA-N -1 3 358.427 3.171 20 0 FGADHM CC(C)c1ocnc1C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000735954200 598646131 /nfs/dbraw/zinc/64/61/31/598646131.db2.gz VFYUTICBTFUJDC-UHFFFAOYSA-N -1 3 358.427 3.171 20 0 FGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)Nc1cccc2c1CCCC2 ZINC000737946396 598647639 /nfs/dbraw/zinc/64/76/39/598647639.db2.gz DQKWUSKBXKZSCP-UHFFFAOYSA-N -1 3 365.462 3.476 20 0 FGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)Nc1cccc2c1CCCC2 ZINC000737946396 598647640 /nfs/dbraw/zinc/64/76/40/598647640.db2.gz DQKWUSKBXKZSCP-UHFFFAOYSA-N -1 3 365.462 3.476 20 0 FGADHM FC(F)(F)CO[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000737627216 598654971 /nfs/dbraw/zinc/65/49/71/598654971.db2.gz NNDNMSFQGNLBKD-SNVBAGLBSA-N -1 3 361.755 3.068 20 0 FGADHM FC(F)(F)CO[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000737627216 598654973 /nfs/dbraw/zinc/65/49/73/598654973.db2.gz NNDNMSFQGNLBKD-SNVBAGLBSA-N -1 3 361.755 3.068 20 0 FGADHM CC[C@@H](NC(=O)CSc1ccc(-c2nnn[n-]2)cc1)C1CCCCC1 ZINC000736364150 598657893 /nfs/dbraw/zinc/65/78/93/598657893.db2.gz RTRBUTLVYHAYQO-MRXNPFEDSA-N -1 3 359.499 3.434 20 0 FGADHM CC[C@@H](NC(=O)CSc1ccc(-c2nn[n-]n2)cc1)C1CCCCC1 ZINC000736364150 598657895 /nfs/dbraw/zinc/65/78/95/598657895.db2.gz RTRBUTLVYHAYQO-MRXNPFEDSA-N -1 3 359.499 3.434 20 0 FGADHM COc1ccc(CCNc2ccc(-c3nnn[n-]3)c(Cl)c2)c(OC)c1 ZINC000737090494 598666646 /nfs/dbraw/zinc/66/66/46/598666646.db2.gz QCAHJOHVEZRSPD-UHFFFAOYSA-N -1 3 359.817 3.192 20 0 FGADHM COc1ccc(CCNc2ccc(-c3nn[n-]n3)c(Cl)c2)c(OC)c1 ZINC000737090494 598666648 /nfs/dbraw/zinc/66/66/48/598666648.db2.gz QCAHJOHVEZRSPD-UHFFFAOYSA-N -1 3 359.817 3.192 20 0 FGADHM CC(C)(C)OC(=O)C1CCN(c2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000735623153 598670283 /nfs/dbraw/zinc/67/02/83/598670283.db2.gz DXPNHXZMVXOONJ-UHFFFAOYSA-N -1 3 363.849 3.078 20 0 FGADHM CC(C)(C)OC(=O)C1CCN(c2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000735623153 598670285 /nfs/dbraw/zinc/67/02/85/598670285.db2.gz DXPNHXZMVXOONJ-UHFFFAOYSA-N -1 3 363.849 3.078 20 0 FGADHM C[C@H](Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccc2c(c1)CC(=O)N2C ZINC000736140570 598672276 /nfs/dbraw/zinc/67/22/76/598672276.db2.gz XOCUCNXHOXFXDF-JTQLQIEISA-N -1 3 368.828 3.212 20 0 FGADHM C[C@H](Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc2c(c1)CC(=O)N2C ZINC000736140570 598672279 /nfs/dbraw/zinc/67/22/79/598672279.db2.gz XOCUCNXHOXFXDF-JTQLQIEISA-N -1 3 368.828 3.212 20 0 FGADHM CC(C)CCc1noc(CSCc2ccc(F)cc2-c2nnn[n-]2)n1 ZINC000735818311 598695922 /nfs/dbraw/zinc/69/59/22/598695922.db2.gz LYYVPWASAFSHPG-UHFFFAOYSA-N -1 3 362.434 3.411 20 0 FGADHM CC(C)CCc1noc(CSCc2ccc(F)cc2-c2nn[n-]n2)n1 ZINC000735818311 598695924 /nfs/dbraw/zinc/69/59/24/598695924.db2.gz LYYVPWASAFSHPG-UHFFFAOYSA-N -1 3 362.434 3.411 20 0 FGADHM O=C(CSCc1ccc(F)cc1-c1nnn[n-]1)Nc1ccc(F)cc1 ZINC000737935792 598698288 /nfs/dbraw/zinc/69/82/88/598698288.db2.gz HUEUKHJAUOGFSN-UHFFFAOYSA-N -1 3 361.377 3.017 20 0 FGADHM O=C(CSCc1ccc(F)cc1-c1nn[n-]n1)Nc1ccc(F)cc1 ZINC000737935792 598698291 /nfs/dbraw/zinc/69/82/91/598698291.db2.gz HUEUKHJAUOGFSN-UHFFFAOYSA-N -1 3 361.377 3.017 20 0 FGADHM Cc1[nH]c2ccc(C(=O)OCc3ccc(F)cc3-c3nnn[n-]3)cc2c1C ZINC000737200500 598701512 /nfs/dbraw/zinc/70/15/12/598701512.db2.gz VCCOCBARAZLMCQ-UHFFFAOYSA-N -1 3 365.368 3.461 20 0 FGADHM Cc1[nH]c2ccc(C(=O)OCc3ccc(F)cc3-c3nn[n-]n3)cc2c1C ZINC000737200500 598701513 /nfs/dbraw/zinc/70/15/13/598701513.db2.gz VCCOCBARAZLMCQ-UHFFFAOYSA-N -1 3 365.368 3.461 20 0 FGADHM Cc1cc(C)cc(OCCC(=O)OCc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000737256651 598706025 /nfs/dbraw/zinc/70/60/25/598706025.db2.gz NZCNKVWGHWCQCJ-UHFFFAOYSA-N -1 3 370.384 3.135 20 0 FGADHM Cc1cc(C)cc(OCCC(=O)OCc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000737256651 598706026 /nfs/dbraw/zinc/70/60/26/598706026.db2.gz NZCNKVWGHWCQCJ-UHFFFAOYSA-N -1 3 370.384 3.135 20 0 FGADHM COc1cccc2cc(C(=O)OCc3ccc(F)cc3-c3nnn[n-]3)oc21 ZINC000737143650 598707675 /nfs/dbraw/zinc/70/76/75/598707675.db2.gz SBLGTKZZFFNHGD-UHFFFAOYSA-N -1 3 368.324 3.118 20 0 FGADHM COc1cccc2cc(C(=O)OCc3ccc(F)cc3-c3nn[n-]n3)oc21 ZINC000737143650 598707676 /nfs/dbraw/zinc/70/76/76/598707676.db2.gz SBLGTKZZFFNHGD-UHFFFAOYSA-N -1 3 368.324 3.118 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)c1ccccc1OCC1CC1 ZINC000738234358 598711740 /nfs/dbraw/zinc/71/17/40/598711740.db2.gz CVYMXQPWYZCWQO-UHFFFAOYSA-N -1 3 368.368 3.152 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)c1ccccc1OCC1CC1 ZINC000738234358 598711741 /nfs/dbraw/zinc/71/17/41/598711741.db2.gz CVYMXQPWYZCWQO-UHFFFAOYSA-N -1 3 368.368 3.152 20 0 FGADHM Cc1cc(COC(=O)CSc2ccc(-c3nnn[n-]3)cc2)c(C)s1 ZINC000737265077 598714016 /nfs/dbraw/zinc/71/40/16/598714016.db2.gz RWAGZHDCPLSPGQ-UHFFFAOYSA-N -1 3 360.464 3.381 20 0 FGADHM Cc1cc(COC(=O)CSc2ccc(-c3nn[n-]n3)cc2)c(C)s1 ZINC000737265077 598714017 /nfs/dbraw/zinc/71/40/17/598714017.db2.gz RWAGZHDCPLSPGQ-UHFFFAOYSA-N -1 3 360.464 3.381 20 0 FGADHM C[C@@H](CSc1ccccc1)C(=O)OCc1ccc(-c2nnn[n-]2)cc1F ZINC000736045642 598724187 /nfs/dbraw/zinc/72/41/87/598724187.db2.gz ALFHDOPFFIOZDV-LBPRGKRZSA-N -1 3 372.425 3.477 20 0 FGADHM C[C@@H](CSc1ccccc1)C(=O)OCc1ccc(-c2nn[n-]n2)cc1F ZINC000736045642 598724188 /nfs/dbraw/zinc/72/41/88/598724188.db2.gz ALFHDOPFFIOZDV-LBPRGKRZSA-N -1 3 372.425 3.477 20 0 FGADHM CCCCCOC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000736451292 598725549 /nfs/dbraw/zinc/72/55/49/598725549.db2.gz JHTLENZFFOVLKI-UHFFFAOYSA-N -1 3 353.382 3.401 20 0 FGADHM CCCCCOC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000736451292 598725551 /nfs/dbraw/zinc/72/55/51/598725551.db2.gz JHTLENZFFOVLKI-UHFFFAOYSA-N -1 3 353.382 3.401 20 0 FGADHM Cc1ccccc1CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000737428490 598735180 /nfs/dbraw/zinc/73/51/80/598735180.db2.gz YGLXPKJMTHRTLX-UHFFFAOYSA-N -1 3 353.451 3.297 20 0 FGADHM Cc1ccccc1CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000737428490 598735182 /nfs/dbraw/zinc/73/51/82/598735182.db2.gz YGLXPKJMTHRTLX-UHFFFAOYSA-N -1 3 353.451 3.297 20 0 FGADHM O=C(C[C@@H]1CCc2ccccc2C1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737818630 598742337 /nfs/dbraw/zinc/74/23/37/598742337.db2.gz JACJULKCBYAGNW-GFCCVEGCSA-N -1 3 351.385 3.140 20 0 FGADHM O=C(C[C@@H]1CCc2ccccc2C1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737818630 598742338 /nfs/dbraw/zinc/74/23/38/598742338.db2.gz JACJULKCBYAGNW-GFCCVEGCSA-N -1 3 351.385 3.140 20 0 FGADHM O=C(Nc1nnc(CC2CCCCC2)s1)c1cccc(-c2nnn[n-]2)c1 ZINC000738209561 598749403 /nfs/dbraw/zinc/74/94/03/598749403.db2.gz OSTLCHWBVRTLLX-UHFFFAOYSA-N -1 3 369.454 3.093 20 0 FGADHM O=C(Nc1nnc(CC2CCCCC2)s1)c1cccc(-c2nn[n-]n2)c1 ZINC000738209561 598749404 /nfs/dbraw/zinc/74/94/04/598749404.db2.gz OSTLCHWBVRTLLX-UHFFFAOYSA-N -1 3 369.454 3.093 20 0 FGADHM Cc1ncsc1CNc1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21 ZINC000737504242 598771916 /nfs/dbraw/zinc/77/19/16/598771916.db2.gz YOUIOFJPKZKCJD-UHFFFAOYSA-N -1 3 359.365 3.070 20 0 FGADHM Cc1ncsc1CNc1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21 ZINC000737504242 598771918 /nfs/dbraw/zinc/77/19/18/598771918.db2.gz YOUIOFJPKZKCJD-UHFFFAOYSA-N -1 3 359.365 3.070 20 0 FGADHM CC[C@H](Cc1ccccc1)C(=O)OCCOc1ccccc1-c1nnn[n-]1 ZINC000736352033 598779145 /nfs/dbraw/zinc/77/91/45/598779145.db2.gz RLJYCXUCGAZCEL-MRXNPFEDSA-N -1 3 366.421 3.058 20 0 FGADHM CC[C@H](Cc1ccccc1)C(=O)OCCOc1ccccc1-c1nn[n-]n1 ZINC000736352033 598779146 /nfs/dbraw/zinc/77/91/46/598779146.db2.gz RLJYCXUCGAZCEL-MRXNPFEDSA-N -1 3 366.421 3.058 20 0 FGADHM CC[C@H](Cc1ccccc1)C(=O)OCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736349008 598779485 /nfs/dbraw/zinc/77/94/85/598779485.db2.gz CRJDWGGMHDMMJY-MRXNPFEDSA-N -1 3 366.421 3.058 20 0 FGADHM CC[C@H](Cc1ccccc1)C(=O)OCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736349008 598779486 /nfs/dbraw/zinc/77/94/86/598779486.db2.gz CRJDWGGMHDMMJY-MRXNPFEDSA-N -1 3 366.421 3.058 20 0 FGADHM CC(C)Oc1ccc(CCCOC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735913949 598786027 /nfs/dbraw/zinc/78/60/27/598786027.db2.gz FIOYETQPPYBPGH-UHFFFAOYSA-N -1 3 366.421 3.444 20 0 FGADHM CC(C)Oc1ccc(CCCOC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735913949 598786029 /nfs/dbraw/zinc/78/60/29/598786029.db2.gz FIOYETQPPYBPGH-UHFFFAOYSA-N -1 3 366.421 3.444 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)CO[C@@H]1CCC[C@@H](C)C1 ZINC000736480010 598789632 /nfs/dbraw/zinc/78/96/32/598789632.db2.gz PFBYVLSUVXVJJA-CRAIPNDOSA-N -1 3 371.485 3.201 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)CO[C@@H]1CCC[C@@H](C)C1 ZINC000736480010 598789634 /nfs/dbraw/zinc/78/96/34/598789634.db2.gz PFBYVLSUVXVJJA-CRAIPNDOSA-N -1 3 371.485 3.201 20 0 FGADHM CC(C)(Oc1cccc(Cl)c1)C(=O)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000735680393 598789718 /nfs/dbraw/zinc/78/97/18/598789718.db2.gz VOKXXRCDSZKQSR-UHFFFAOYSA-N -1 3 358.785 3.283 20 0 FGADHM CC(C)(Oc1cccc(Cl)c1)C(=O)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000735680393 598789720 /nfs/dbraw/zinc/78/97/20/598789720.db2.gz VOKXXRCDSZKQSR-UHFFFAOYSA-N -1 3 358.785 3.283 20 0 FGADHM Cc1cccc2c1CCN(C(=O)N[C@@H](C)c1ccc(-c3nnn[n-]3)cc1)C2 ZINC000737411220 598801026 /nfs/dbraw/zinc/80/10/26/598801026.db2.gz WOBUHROLDZJLMF-AWEZNQCLSA-N -1 3 362.437 3.004 20 0 FGADHM Cc1cccc2c1CCN(C(=O)N[C@@H](C)c1ccc(-c3nn[n-]n3)cc1)C2 ZINC000737411220 598801027 /nfs/dbraw/zinc/80/10/27/598801027.db2.gz WOBUHROLDZJLMF-AWEZNQCLSA-N -1 3 362.437 3.004 20 0 FGADHM CC(=CC(=O)Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000735446600 598806798 /nfs/dbraw/zinc/80/67/98/598806798.db2.gz BLRJUWCNVPFNAH-BUHFOSPRSA-N -1 3 371.404 3.094 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cn1)C1c2ccccc2Oc2ccccc21 ZINC000738152610 598806911 /nfs/dbraw/zinc/80/69/11/598806911.db2.gz YLRHFYZSVDKLLD-UHFFFAOYSA-N -1 3 370.372 3.138 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cn1)C1c2ccccc2Oc2ccccc21 ZINC000738152610 598806912 /nfs/dbraw/zinc/80/69/12/598806912.db2.gz YLRHFYZSVDKLLD-UHFFFAOYSA-N -1 3 370.372 3.138 20 0 FGADHM CCN(C(=O)c1cnc(C2CC2)s1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736509306 598818557 /nfs/dbraw/zinc/81/85/57/598818557.db2.gz UOHANWJNRWXKIE-NSHDSACASA-N -1 3 368.466 3.424 20 0 FGADHM CCN(C(=O)c1cnc(C2CC2)s1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736509306 598818558 /nfs/dbraw/zinc/81/85/58/598818558.db2.gz UOHANWJNRWXKIE-NSHDSACASA-N -1 3 368.466 3.424 20 0 FGADHM CN(C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1)C1CC1 ZINC000821572052 599297340 /nfs/dbraw/zinc/29/73/40/599297340.db2.gz POMDBBJEIHNYFI-UHFFFAOYSA-N -1 3 368.372 3.424 20 0 FGADHM CN(C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1)C1CC1 ZINC000821572052 599297342 /nfs/dbraw/zinc/29/73/42/599297342.db2.gz POMDBBJEIHNYFI-UHFFFAOYSA-N -1 3 368.372 3.424 20 0 FGADHM CC(C)(CNC(=O)CCc1ccc(-c2nnn[n-]2)cc1)c1cccc(F)c1 ZINC000735665054 599300707 /nfs/dbraw/zinc/30/07/07/599300707.db2.gz AYYMVRJZWVANFU-UHFFFAOYSA-N -1 3 367.428 3.032 20 0 FGADHM CC(C)(CNC(=O)CCc1ccc(-c2nn[n-]n2)cc1)c1cccc(F)c1 ZINC000735665054 599300710 /nfs/dbraw/zinc/30/07/10/599300710.db2.gz AYYMVRJZWVANFU-UHFFFAOYSA-N -1 3 367.428 3.032 20 0 FGADHM O[C@@H](CNc1ccc(-c2nn[n-]n2)cc1F)c1cc(Cl)cc(Cl)c1 ZINC000738383069 599306742 /nfs/dbraw/zinc/30/67/42/599306742.db2.gz NPNMGSLEUDNADZ-AWEZNQCLSA-N -1 3 368.199 3.458 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000822216006 599319106 /nfs/dbraw/zinc/31/91/06/599319106.db2.gz BOASVCDBNZBYKH-LAUBAEHRSA-N -1 3 359.433 3.408 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000822216006 599319108 /nfs/dbraw/zinc/31/91/08/599319108.db2.gz BOASVCDBNZBYKH-LAUBAEHRSA-N -1 3 359.433 3.408 20 0 FGADHM CC(C)c1ccc(S(=O)(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000820191964 599323628 /nfs/dbraw/zinc/32/36/28/599323628.db2.gz CCRDKIUNTZWPAE-CYBMUJFWSA-N -1 3 371.466 3.030 20 0 FGADHM CC(C)c1ccc(S(=O)(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000820191964 599323630 /nfs/dbraw/zinc/32/36/30/599323630.db2.gz CCRDKIUNTZWPAE-CYBMUJFWSA-N -1 3 371.466 3.030 20 0 FGADHM COc1cc(Cl)c(C)cc1NCCOc1cccc(-c2nnn[n-]2)c1 ZINC000737048271 599325785 /nfs/dbraw/zinc/32/57/85/599325785.db2.gz YQTKDPPCFDKLMM-UHFFFAOYSA-N -1 3 359.817 3.328 20 0 FGADHM COc1cc(Cl)c(C)cc1NCCOc1cccc(-c2nn[n-]n2)c1 ZINC000737048271 599325788 /nfs/dbraw/zinc/32/57/88/599325788.db2.gz YQTKDPPCFDKLMM-UHFFFAOYSA-N -1 3 359.817 3.328 20 0 FGADHM C[C@@H](SCC(=O)NCc1cccs1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736192373 599331502 /nfs/dbraw/zinc/33/15/02/599331502.db2.gz YPPJXAMDBGTHSR-LLVKDONJSA-N -1 3 359.480 3.039 20 0 FGADHM C[C@@H](SCC(=O)NCc1cccs1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736192373 599331505 /nfs/dbraw/zinc/33/15/05/599331505.db2.gz YPPJXAMDBGTHSR-LLVKDONJSA-N -1 3 359.480 3.039 20 0 FGADHM C[C@H](Sc1ccccc1-c1nnn[n-]1)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000820555819 599344883 /nfs/dbraw/zinc/34/48/83/599344883.db2.gz PXDIYNRHEXGVNS-PWNZVWSESA-N -1 3 359.499 3.288 20 0 FGADHM C[C@H](Sc1ccccc1-c1nn[n-]n1)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000820555819 599344887 /nfs/dbraw/zinc/34/48/87/599344887.db2.gz PXDIYNRHEXGVNS-PWNZVWSESA-N -1 3 359.499 3.288 20 0 FGADHM CSc1ccc(NC(=O)CSc2ccccc2-c2nnn[n-]2)cc1 ZINC000821983250 599345381 /nfs/dbraw/zinc/34/53/81/599345381.db2.gz FGJRSUILYISEFN-UHFFFAOYSA-N -1 3 357.464 3.319 20 0 FGADHM CSc1ccc(NC(=O)CSc2ccccc2-c2nn[n-]n2)cc1 ZINC000821983250 599345384 /nfs/dbraw/zinc/34/53/84/599345384.db2.gz FGJRSUILYISEFN-UHFFFAOYSA-N -1 3 357.464 3.319 20 0 FGADHM CC(C)[C@H](Sc1ccccc1-c1nnn[n-]1)C(=O)N1CCC[C@H](C)C1 ZINC000820703042 599347356 /nfs/dbraw/zinc/34/73/56/599347356.db2.gz CLGHTETYLFBMKC-BBRMVZONSA-N -1 3 359.499 3.242 20 0 FGADHM CC(C)[C@H](Sc1ccccc1-c1nn[n-]n1)C(=O)N1CCC[C@H](C)C1 ZINC000820703042 599347359 /nfs/dbraw/zinc/34/73/59/599347359.db2.gz CLGHTETYLFBMKC-BBRMVZONSA-N -1 3 359.499 3.242 20 0 FGADHM O=C(Nc1cccc(OCc2ccc(-c3nnn[n-]3)cc2)c1)c1ccco1 ZINC000738185799 599365093 /nfs/dbraw/zinc/36/50/93/599365093.db2.gz IJYJTBCHTFSSOQ-UHFFFAOYSA-N -1 3 361.361 3.291 20 0 FGADHM O=C(Nc1cccc(OCc2ccc(-c3nn[n-]n3)cc2)c1)c1ccco1 ZINC000738185799 599365096 /nfs/dbraw/zinc/36/50/96/599365096.db2.gz IJYJTBCHTFSSOQ-UHFFFAOYSA-N -1 3 361.361 3.291 20 0 FGADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1)c1cc(Cl)cc2cccnc21 ZINC000738230038 599367044 /nfs/dbraw/zinc/36/70/44/599367044.db2.gz DLCGVAMSWANQFC-UHFFFAOYSA-N -1 3 365.780 3.425 20 0 FGADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1)c1cc(Cl)cc2cccnc21 ZINC000738230038 599367045 /nfs/dbraw/zinc/36/70/45/599367045.db2.gz DLCGVAMSWANQFC-UHFFFAOYSA-N -1 3 365.780 3.425 20 0 FGADHM COc1ccccc1CSCCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000737153734 599370218 /nfs/dbraw/zinc/37/02/18/599370218.db2.gz UWFSUEQVDNEXRW-UHFFFAOYSA-N -1 3 369.450 3.137 20 0 FGADHM COc1ccccc1CSCCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000737153734 599370221 /nfs/dbraw/zinc/37/02/21/599370221.db2.gz UWFSUEQVDNEXRW-UHFFFAOYSA-N -1 3 369.450 3.137 20 0 FGADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCC2)c1cc2occc2s1 ZINC000738210605 599371085 /nfs/dbraw/zinc/37/10/85/599371085.db2.gz RZJQXRJXBKGUHF-UHFFFAOYSA-N -1 3 357.420 3.477 20 0 FGADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCC2)c1cc2occc2s1 ZINC000738210605 599371086 /nfs/dbraw/zinc/37/10/86/599371086.db2.gz RZJQXRJXBKGUHF-UHFFFAOYSA-N -1 3 357.420 3.477 20 0 FGADHM CSc1ccc(OCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)cc1 ZINC000821982993 599382484 /nfs/dbraw/zinc/38/24/84/599382484.db2.gz CNIGMGJHOISFNW-UHFFFAOYSA-N -1 3 366.406 3.218 20 0 FGADHM CSc1ccc(OCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)cc1 ZINC000821982993 599382487 /nfs/dbraw/zinc/38/24/87/599382487.db2.gz CNIGMGJHOISFNW-UHFFFAOYSA-N -1 3 366.406 3.218 20 0 FGADHM CCN(CC)C(=O)c1cccc(OCc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000821175615 599386649 /nfs/dbraw/zinc/38/66/49/599386649.db2.gz PZSLVQQPGJXKEA-UHFFFAOYSA-N -1 3 369.400 3.067 20 0 FGADHM CCN(CC)C(=O)c1cccc(OCc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000821175615 599386652 /nfs/dbraw/zinc/38/66/52/599386652.db2.gz PZSLVQQPGJXKEA-UHFFFAOYSA-N -1 3 369.400 3.067 20 0 FGADHM CCOc1ccc([C@H](C)NCc2ccc(-c3nnn[n-]3)o2)cc1OCC ZINC000821416778 599393417 /nfs/dbraw/zinc/39/34/17/599393417.db2.gz DJHCTDNXTNRLOM-LBPRGKRZSA-N -1 3 357.414 3.108 20 0 FGADHM CCOc1ccc(CN(C)c2cc(-c3nnn[n-]3)c3ccccc3n2)cc1 ZINC000736644059 599394499 /nfs/dbraw/zinc/39/44/99/599394499.db2.gz RCWFWCNHFDQCAL-UHFFFAOYSA-N -1 3 360.421 3.450 20 0 FGADHM CCOc1ccc(CN(C)c2cc(-c3nn[n-]n3)c3ccccc3n2)cc1 ZINC000736644059 599394501 /nfs/dbraw/zinc/39/45/01/599394501.db2.gz RCWFWCNHFDQCAL-UHFFFAOYSA-N -1 3 360.421 3.450 20 0 FGADHM C[C@H](NC(=O)N[C@H](c1ccccc1)C1CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820360367 599400656 /nfs/dbraw/zinc/40/06/56/599400656.db2.gz YGQHUOUUCNVXLX-SCLBCKFNSA-N -1 3 362.437 3.378 20 0 FGADHM C[C@H](NC(=O)N[C@H](c1ccccc1)C1CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820360367 599400658 /nfs/dbraw/zinc/40/06/58/599400658.db2.gz YGQHUOUUCNVXLX-SCLBCKFNSA-N -1 3 362.437 3.378 20 0 FGADHM Cc1cc([C@H](C)NC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)c(C)s1 ZINC000822191572 599407841 /nfs/dbraw/zinc/40/78/41/599407841.db2.gz KKBGSRFDJRMDJY-JTQLQIEISA-N -1 3 374.445 3.245 20 0 FGADHM Cc1cc([C@H](C)NC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)c(C)s1 ZINC000822191572 599407843 /nfs/dbraw/zinc/40/78/43/599407843.db2.gz KKBGSRFDJRMDJY-JTQLQIEISA-N -1 3 374.445 3.245 20 0 FGADHM CN(C[C@H]1OCCc2ccccc21)c1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000736790368 599425003 /nfs/dbraw/zinc/42/50/03/599425003.db2.gz HHFDJBWGGZTWGX-LJQANCHMSA-N -1 3 372.432 3.165 20 0 FGADHM CN(C[C@H]1OCCc2ccccc21)c1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000736790368 599425005 /nfs/dbraw/zinc/42/50/05/599425005.db2.gz HHFDJBWGGZTWGX-LJQANCHMSA-N -1 3 372.432 3.165 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1CSc1nnc(-c2cccs2)o1 ZINC000821752337 607377729 /nfs/dbraw/zinc/37/77/29/607377729.db2.gz KSYZRANAUGSFID-UHFFFAOYSA-N -1 3 372.435 3.279 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1CSc1nnc(-c2cccs2)o1 ZINC000821752337 607377731 /nfs/dbraw/zinc/37/77/31/607377731.db2.gz KSYZRANAUGSFID-UHFFFAOYSA-N -1 3 372.435 3.279 20 0 FGADHM CCCOc1ccc(CNc2cc(-c3nnn[n-]3)c3ccccc3n2)cn1 ZINC000736490285 599434028 /nfs/dbraw/zinc/43/40/28/599434028.db2.gz KKRSFGKKVFBERR-UHFFFAOYSA-N -1 3 361.409 3.211 20 0 FGADHM CCCOc1ccc(CNc2cc(-c3nn[n-]n3)c3ccccc3n2)cn1 ZINC000736490285 599434030 /nfs/dbraw/zinc/43/40/30/599434030.db2.gz KKRSFGKKVFBERR-UHFFFAOYSA-N -1 3 361.409 3.211 20 0 FGADHM CCC[C@H]1CCCC[C@@H]1NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000821039151 599434446 /nfs/dbraw/zinc/43/44/46/599434446.db2.gz APARKMXQFYOCEF-LRDDRELGSA-N -1 3 360.437 3.164 20 0 FGADHM CCC[C@H]1CCCC[C@@H]1NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000821039151 599434448 /nfs/dbraw/zinc/43/44/48/599434448.db2.gz APARKMXQFYOCEF-LRDDRELGSA-N -1 3 360.437 3.164 20 0 FGADHM Fc1ccc(-c2nn[n-]n2)cc1CNCc1csc(-c2ccsc2)n1 ZINC000822761340 599457045 /nfs/dbraw/zinc/45/70/45/599457045.db2.gz JDFXMUJCOFPAFW-UHFFFAOYSA-N -1 3 372.454 3.481 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)CCc1cc(Cl)cs1 ZINC000737024006 599465761 /nfs/dbraw/zinc/46/57/61/599465761.db2.gz IUCYDKZTFHSSIJ-UHFFFAOYSA-N -1 3 364.814 3.128 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)CCc1cc(Cl)cs1 ZINC000737024006 599465763 /nfs/dbraw/zinc/46/57/63/599465763.db2.gz IUCYDKZTFHSSIJ-UHFFFAOYSA-N -1 3 364.814 3.128 20 0 FGADHM Cc1nc(C(C)(C)NC(=O)C=Cc2ccccc2-c2nnn[n-]2)sc1C ZINC000737468304 599468414 /nfs/dbraw/zinc/46/84/14/599468414.db2.gz UHNYZKIDFVPTOI-KTKRTIGZSA-N -1 3 368.466 3.005 20 0 FGADHM Cc1nc(C(C)(C)NC(=O)C=Cc2ccccc2-c2nn[n-]n2)sc1C ZINC000737468304 599468415 /nfs/dbraw/zinc/46/84/15/599468415.db2.gz UHNYZKIDFVPTOI-KTKRTIGZSA-N -1 3 368.466 3.005 20 0 FGADHM Cc1cc(C)c(-c2nnn[n-]2)c(N2CC[C@@H](Cc3ccc(F)cc3)C2)n1 ZINC000737243886 599472375 /nfs/dbraw/zinc/47/23/75/599472375.db2.gz BZMWWRFNFHPVQB-HNNXBMFYSA-N -1 3 352.417 3.087 20 0 FGADHM Cc1cc(C)c(-c2nn[n-]n2)c(N2CC[C@@H](Cc3ccc(F)cc3)C2)n1 ZINC000737243886 599472379 /nfs/dbraw/zinc/47/23/79/599472379.db2.gz BZMWWRFNFHPVQB-HNNXBMFYSA-N -1 3 352.417 3.087 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)O[C@H](C)C(=O)c1ccc(Cl)cc1 ZINC000826251074 607381020 /nfs/dbraw/zinc/38/10/20/607381020.db2.gz DMUOCVFSWWMULS-LLVKDONJSA-N -1 3 370.796 3.257 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)O[C@H](C)C(=O)c1ccc(Cl)cc1 ZINC000826251074 607381022 /nfs/dbraw/zinc/38/10/22/607381022.db2.gz DMUOCVFSWWMULS-LLVKDONJSA-N -1 3 370.796 3.257 20 0 FGADHM C[C@H](c1ccc(F)cc1)N(C)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820340405 599477924 /nfs/dbraw/zinc/47/79/24/599477924.db2.gz JSOINJHKFGQFAC-QWHCGFSZSA-N -1 3 368.416 3.469 20 0 FGADHM C[C@H](c1ccc(F)cc1)N(C)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820340405 599477926 /nfs/dbraw/zinc/47/79/26/599477926.db2.gz JSOINJHKFGQFAC-QWHCGFSZSA-N -1 3 368.416 3.469 20 0 FGADHM CC[C@H](NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1nc(C)cs1 ZINC000820919681 599481555 /nfs/dbraw/zinc/48/15/55/599481555.db2.gz FOUUHQIIJAZDPI-FZMZJTMJSA-N -1 3 371.470 3.143 20 0 FGADHM CC[C@H](NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1nc(C)cs1 ZINC000820919681 599481557 /nfs/dbraw/zinc/48/15/57/599481557.db2.gz FOUUHQIIJAZDPI-FZMZJTMJSA-N -1 3 371.470 3.143 20 0 FGADHM CCCOCc1ccccc1CNc1c(-c2nnn[n-]2)cnc2ccccc21 ZINC000821128182 599481955 /nfs/dbraw/zinc/48/19/55/599481955.db2.gz QXNUFBZTVZKBTP-UHFFFAOYSA-N -1 3 374.448 3.376 20 0 FGADHM CCCOCc1ccccc1CNc1c(-c2nn[n-]n2)cnc2ccccc21 ZINC000821128182 599481956 /nfs/dbraw/zinc/48/19/56/599481956.db2.gz QXNUFBZTVZKBTP-UHFFFAOYSA-N -1 3 374.448 3.376 20 0 FGADHM CC(C)Oc1ccccc1CNc1c(-c2nnn[n-]2)cnc2ccccc21 ZINC000820178117 599487205 /nfs/dbraw/zinc/48/72/05/599487205.db2.gz HWQDJUNLOJREBW-UHFFFAOYSA-N -1 3 360.421 3.236 20 0 FGADHM CC(C)Oc1ccccc1CNc1c(-c2nn[n-]n2)cnc2ccccc21 ZINC000820178117 599487207 /nfs/dbraw/zinc/48/72/07/599487207.db2.gz HWQDJUNLOJREBW-UHFFFAOYSA-N -1 3 360.421 3.236 20 0 FGADHM Clc1cccc(-c2nn[n-]n2)c1NCCN1CCc2sccc2C1 ZINC000822585825 599491792 /nfs/dbraw/zinc/49/17/92/599491792.db2.gz NXXRAHFMUNLEOT-UHFFFAOYSA-N -1 3 360.874 3.052 20 0 FGADHM CN(C(=O)[C@@H]1C[C@@]12CCCc1ccccc12)c1cccc(-c2nnn[n-]2)c1 ZINC000821569662 599494962 /nfs/dbraw/zinc/49/49/62/599494962.db2.gz RJMUCMYCUPXWDV-GHTZIAJQSA-N -1 3 359.433 3.124 20 0 FGADHM CN(C(=O)[C@@H]1C[C@@]12CCCc1ccccc12)c1cccc(-c2nn[n-]n2)c1 ZINC000821569662 599494963 /nfs/dbraw/zinc/49/49/63/599494963.db2.gz RJMUCMYCUPXWDV-GHTZIAJQSA-N -1 3 359.433 3.124 20 0 FGADHM C[C@@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2)N1CCCCC1 ZINC000735569386 599503411 /nfs/dbraw/zinc/50/34/11/599503411.db2.gz HBMXGPTVDFGCPY-LBPRGKRZSA-N -1 3 374.514 3.010 20 0 FGADHM C[C@@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2)N1CCCCC1 ZINC000735569386 599503414 /nfs/dbraw/zinc/50/34/14/599503414.db2.gz HBMXGPTVDFGCPY-LBPRGKRZSA-N -1 3 374.514 3.010 20 0 FGADHM Cc1ccccc1N[C@H](C)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737434364 599504290 /nfs/dbraw/zinc/50/42/90/599504290.db2.gz FENDYAPGGPFJAF-LLVKDONJSA-N -1 3 356.817 3.268 20 0 FGADHM Cc1ccccc1N[C@H](C)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737434364 599504293 /nfs/dbraw/zinc/50/42/93/599504293.db2.gz FENDYAPGGPFJAF-LLVKDONJSA-N -1 3 356.817 3.268 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCC(=O)c1ccc(F)c(Cl)c1 ZINC000826251863 607381745 /nfs/dbraw/zinc/38/17/45/607381745.db2.gz DNTAPCXEKLTNSB-UHFFFAOYSA-N -1 3 374.759 3.007 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCC(=O)c1ccc(F)c(Cl)c1 ZINC000826251863 607381747 /nfs/dbraw/zinc/38/17/47/607381747.db2.gz DNTAPCXEKLTNSB-UHFFFAOYSA-N -1 3 374.759 3.007 20 0 FGADHM C[C@@H](NC(=O)/C=C\Sc1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820323279 599509020 /nfs/dbraw/zinc/50/90/20/599509020.db2.gz WYMOYGZXUCLQLP-BSYHEUMXSA-N -1 3 351.435 3.350 20 0 FGADHM C[C@@H](NC(=O)/C=C\Sc1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820323279 599509023 /nfs/dbraw/zinc/50/90/23/599509023.db2.gz WYMOYGZXUCLQLP-BSYHEUMXSA-N -1 3 351.435 3.350 20 0 FGADHM C[C@@H](NC(=O)CCCOCc1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820320996 599516164 /nfs/dbraw/zinc/51/61/64/599516164.db2.gz AQKKVHGXNNRTRP-OAHLLOKOSA-N -1 3 365.437 3.041 20 0 FGADHM C[C@@H](NC(=O)CCCOCc1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820320996 599516166 /nfs/dbraw/zinc/51/61/66/599516166.db2.gz AQKKVHGXNNRTRP-OAHLLOKOSA-N -1 3 365.437 3.041 20 0 FGADHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1NC[C@@H]1Cc2ccccc2O1 ZINC000737626075 599521152 /nfs/dbraw/zinc/52/11/52/599521152.db2.gz HGPYMOXPRDHTQY-LBPRGKRZSA-N -1 3 361.327 3.301 20 0 FGADHM Fc1ccccc1[C@H]1CN(c2c(Cl)cccc2-c2nnn[n-]2)CCO1 ZINC000822796251 599522499 /nfs/dbraw/zinc/52/24/99/599522499.db2.gz NPBLUVBABRMTJQ-OAHLLOKOSA-N -1 3 359.792 3.237 20 0 FGADHM Fc1ccccc1[C@H]1CN(c2c(Cl)cccc2-c2nn[n-]n2)CCO1 ZINC000822796251 599522500 /nfs/dbraw/zinc/52/25/00/599522500.db2.gz NPBLUVBABRMTJQ-OAHLLOKOSA-N -1 3 359.792 3.237 20 0 FGADHM Cc1[nH]c2ccccc2c1CC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822010260 599524832 /nfs/dbraw/zinc/52/48/32/599524832.db2.gz VLCSTOWTFYINFQ-LBPRGKRZSA-N -1 3 360.421 3.076 20 0 FGADHM Cc1[nH]c2ccccc2c1CC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822010260 599524834 /nfs/dbraw/zinc/52/48/34/599524834.db2.gz VLCSTOWTFYINFQ-LBPRGKRZSA-N -1 3 360.421 3.076 20 0 FGADHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1NCc1cn2c(n1)CCCC2 ZINC000737627250 599524856 /nfs/dbraw/zinc/52/48/56/599524856.db2.gz NMFKXTXSZGORAT-UHFFFAOYSA-N -1 3 363.347 3.030 20 0 FGADHM C[C@@H](NC(=O)CCOc1ccc(Cl)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820329773 599529073 /nfs/dbraw/zinc/52/90/73/599529073.db2.gz ZWEOGTNQUAWDFS-GFCCVEGCSA-N -1 3 371.828 3.166 20 0 FGADHM C[C@@H](NC(=O)CCOc1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820329773 599529075 /nfs/dbraw/zinc/52/90/75/599529075.db2.gz ZWEOGTNQUAWDFS-GFCCVEGCSA-N -1 3 371.828 3.166 20 0 FGADHM C[C@@H](NC(=O)Cc1cccc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820333865 599533066 /nfs/dbraw/zinc/53/30/66/599533066.db2.gz HSAAOGYBGMICRQ-CQSZACIVSA-N -1 3 357.417 3.440 20 0 FGADHM C[C@@H](NC(=O)Cc1cccc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820333865 599533068 /nfs/dbraw/zinc/53/30/68/599533068.db2.gz HSAAOGYBGMICRQ-CQSZACIVSA-N -1 3 357.417 3.440 20 0 FGADHM C[C@@H](C(=O)NCCSCc1ccccc1-c1nnn[n-]1)c1ccsc1 ZINC000735547734 599541393 /nfs/dbraw/zinc/54/13/93/599541393.db2.gz RSAJAVHLOXWVBF-GFCCVEGCSA-N -1 3 373.507 3.081 20 0 FGADHM C[C@@H](C(=O)NCCSCc1ccccc1-c1nn[n-]n1)c1ccsc1 ZINC000735547734 599541395 /nfs/dbraw/zinc/54/13/95/599541395.db2.gz RSAJAVHLOXWVBF-GFCCVEGCSA-N -1 3 373.507 3.081 20 0 FGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H](C)c1ccsc1 ZINC000735903941 599544297 /nfs/dbraw/zinc/54/42/97/599544297.db2.gz JFGYPPHDQRJPDA-LLVKDONJSA-N -1 3 357.439 3.458 20 0 FGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H](C)c1ccsc1 ZINC000735903941 599544298 /nfs/dbraw/zinc/54/42/98/599544298.db2.gz JFGYPPHDQRJPDA-LLVKDONJSA-N -1 3 357.439 3.458 20 0 FGADHM C[C@H]1CCN(C(=O)Cc2ccc(-c3nnn[n-]3)cc2)[C@@H](c2ccco2)C1 ZINC000820715948 599549655 /nfs/dbraw/zinc/54/96/55/599549655.db2.gz FXUODKAHUQOZIA-XJKSGUPXSA-N -1 3 351.410 3.002 20 0 FGADHM C[C@H]1CCN(C(=O)Cc2ccc(-c3nn[n-]n3)cc2)[C@@H](c2ccco2)C1 ZINC000820715948 599549656 /nfs/dbraw/zinc/54/96/56/599549656.db2.gz FXUODKAHUQOZIA-XJKSGUPXSA-N -1 3 351.410 3.002 20 0 FGADHM C[C@H]1c2c(F)cccc2CCN1C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000736303164 599555340 /nfs/dbraw/zinc/55/53/40/599555340.db2.gz RZNRLIDZJLOPJS-XPSMFNQNSA-N -1 3 363.396 3.165 20 0 FGADHM C[C@H]1c2c(F)cccc2CCN1C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000736303164 599555341 /nfs/dbraw/zinc/55/53/41/599555341.db2.gz RZNRLIDZJLOPJS-XPSMFNQNSA-N -1 3 363.396 3.165 20 0 FGADHM CC(C)(C)c1ccc([C@H](O)CNc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000819957610 599559942 /nfs/dbraw/zinc/55/99/42/599559942.db2.gz BPDGCVSEIUHMIO-QGZVFWFLSA-N -1 3 355.417 3.449 20 0 FGADHM CC(C)(C)c1ccc([C@H](O)CNc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000819957610 599559943 /nfs/dbraw/zinc/55/99/43/599559943.db2.gz BPDGCVSEIUHMIO-QGZVFWFLSA-N -1 3 355.417 3.449 20 0 FGADHM Cc1ccc([C@@H]2CCCCCN2C(=O)Cc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000737329578 599561279 /nfs/dbraw/zinc/56/12/79/599561279.db2.gz KOQXBWLKQYWTIX-KRWDZBQOSA-N -1 3 365.437 3.455 20 0 FGADHM Cc1ccc([C@@H]2CCCCCN2C(=O)Cc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000737329578 599561282 /nfs/dbraw/zinc/56/12/82/599561282.db2.gz KOQXBWLKQYWTIX-KRWDZBQOSA-N -1 3 365.437 3.455 20 0 FGADHM C[C@@H](c1cccs1)N(C)Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000820570736 599563122 /nfs/dbraw/zinc/56/31/22/599563122.db2.gz PVRDGFQWDBJPBJ-NSHDSACASA-N -1 3 367.438 3.171 20 0 FGADHM C[C@@H](c1cccs1)N(C)Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000820570736 599563123 /nfs/dbraw/zinc/56/31/23/599563123.db2.gz PVRDGFQWDBJPBJ-NSHDSACASA-N -1 3 367.438 3.171 20 0 FGADHM CCOc1cc(CCCNc2ccc(F)cc2-c2nnn[n-]2)ccc1OC ZINC000821393844 599564304 /nfs/dbraw/zinc/56/43/04/599564304.db2.gz DBMUJUWVHXHJNR-UHFFFAOYSA-N -1 3 371.416 3.458 20 0 FGADHM CCOc1cc(CCCNc2ccc(F)cc2-c2nn[n-]n2)ccc1OC ZINC000821393844 599564306 /nfs/dbraw/zinc/56/43/06/599564306.db2.gz DBMUJUWVHXHJNR-UHFFFAOYSA-N -1 3 371.416 3.458 20 0 FGADHM Cc1ccc(C)c(N(C)Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)c1 ZINC000822232079 599565178 /nfs/dbraw/zinc/56/51/78/599565178.db2.gz SMLNMIIORJOUTB-UHFFFAOYSA-N -1 3 361.409 3.170 20 0 FGADHM Cc1ccc(C)c(N(C)Cc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)c1 ZINC000822232079 599565180 /nfs/dbraw/zinc/56/51/80/599565180.db2.gz SMLNMIIORJOUTB-UHFFFAOYSA-N -1 3 361.409 3.170 20 0 FGADHM CC[C@H](C)N(C)C(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736321896 599567376 /nfs/dbraw/zinc/56/73/76/599567376.db2.gz GJNKQRCRFHLISG-ZDUSSCGKSA-N -1 3 350.426 3.481 20 0 FGADHM CCc1ccccc1CNc1c(-c2nnn[n-]2)cnc2c(F)ccc(F)c21 ZINC000821492090 599569633 /nfs/dbraw/zinc/56/96/33/599569633.db2.gz GPCSXWPLWYQOTI-UHFFFAOYSA-N -1 3 366.375 3.290 20 0 FGADHM CCc1ccccc1CNc1c(-c2nn[n-]n2)cnc2c(F)ccc(F)c21 ZINC000821492090 599569635 /nfs/dbraw/zinc/56/96/35/599569635.db2.gz GPCSXWPLWYQOTI-UHFFFAOYSA-N -1 3 366.375 3.290 20 0 FGADHM O=C(N[C@@H]1CC=CCC1)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738020598 599570378 /nfs/dbraw/zinc/57/03/78/599570378.db2.gz OBGRBFLSWBYZGL-MRXNPFEDSA-N -1 3 360.421 3.449 20 0 FGADHM O[C@H](CNc1c(Cl)cccc1-c1nnn[n-]1)c1c(F)cccc1Cl ZINC000823690538 599571919 /nfs/dbraw/zinc/57/19/19/599571919.db2.gz PFLWFAVOFDZVHD-GFCCVEGCSA-N -1 3 368.199 3.458 20 0 FGADHM O[C@H](CNc1c(Cl)cccc1-c1nn[n-]n1)c1c(F)cccc1Cl ZINC000823690538 599571920 /nfs/dbraw/zinc/57/19/20/599571920.db2.gz PFLWFAVOFDZVHD-GFCCVEGCSA-N -1 3 368.199 3.458 20 0 FGADHM Clc1cc(-c2nnn[n-]2)cnc1NCc1coc(-c2ccccc2)n1 ZINC000822568402 599586219 /nfs/dbraw/zinc/58/62/19/599586219.db2.gz PGIABAAILWMJLJ-UHFFFAOYSA-N -1 3 353.773 3.182 20 0 FGADHM Clc1cc(-c2nn[n-]n2)cnc1NCc1coc(-c2ccccc2)n1 ZINC000822568402 599586221 /nfs/dbraw/zinc/58/62/21/599586221.db2.gz PGIABAAILWMJLJ-UHFFFAOYSA-N -1 3 353.773 3.182 20 0 FGADHM O=C(NCc1ccco1)c1ccccc1NCc1ccc(-c2nnn[n-]2)cc1 ZINC000738124300 599587648 /nfs/dbraw/zinc/58/76/48/599587648.db2.gz OBPAXYOZEANLPP-UHFFFAOYSA-N -1 3 374.404 3.002 20 0 FGADHM O=C(NCc1ccco1)c1ccccc1NCc1ccc(-c2nn[n-]n2)cc1 ZINC000738124300 599587651 /nfs/dbraw/zinc/58/76/51/599587651.db2.gz OBPAXYOZEANLPP-UHFFFAOYSA-N -1 3 374.404 3.002 20 0 FGADHM CC[C@@H](c1ccc(F)cc1)S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736389112 599608832 /nfs/dbraw/zinc/60/88/32/599608832.db2.gz BHQKWUXUXANKMQ-INIZCTEOSA-N -1 3 360.414 3.072 20 0 FGADHM CC[C@@H](c1ccc(F)cc1)S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736389112 599608834 /nfs/dbraw/zinc/60/88/34/599608834.db2.gz BHQKWUXUXANKMQ-INIZCTEOSA-N -1 3 360.414 3.072 20 0 FGADHM C[C@H](CCc1ccccc1F)C(=O)OCc1ccccc1-c1nnn[n-]1 ZINC000820252763 599621445 /nfs/dbraw/zinc/62/14/45/599621445.db2.gz DHPIULJKDXYRRM-CYBMUJFWSA-N -1 3 354.385 3.318 20 0 FGADHM C[C@H](CCc1ccccc1F)C(=O)OCc1ccccc1-c1nn[n-]n1 ZINC000820252763 599621446 /nfs/dbraw/zinc/62/14/46/599621446.db2.gz DHPIULJKDXYRRM-CYBMUJFWSA-N -1 3 354.385 3.318 20 0 FGADHM O=C(OCCOc1ccc(-c2nn[n-]n2)cc1)[C@H]1C[C@@H]1C1CCCCC1 ZINC000823409422 599624258 /nfs/dbraw/zinc/62/42/58/599624258.db2.gz HDUGNDDBEFLSQX-SJORKVTESA-N -1 3 356.426 3.005 20 0 FGADHM O=C(Oc1ccc(OC(F)(F)F)cc1)c1sccc1-c1nnn[n-]1 ZINC000823454386 599628222 /nfs/dbraw/zinc/62/82/22/599628222.db2.gz PQHSFBLMGVBGPS-UHFFFAOYSA-N -1 3 356.285 3.046 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)CCC(F)(F)F ZINC000821389352 599629782 /nfs/dbraw/zinc/62/97/82/599629782.db2.gz JTTZWFKBNMKUCU-UHFFFAOYSA-N -1 3 364.711 3.167 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)CCC(F)(F)F ZINC000821389352 599629783 /nfs/dbraw/zinc/62/97/83/599629783.db2.gz JTTZWFKBNMKUCU-UHFFFAOYSA-N -1 3 364.711 3.167 20 0 FGADHM CCc1ccc(-c2ccc(C(=O)Nc3ccc(-c4nnn[n-]4)cn3)o2)cc1 ZINC000821476512 599631418 /nfs/dbraw/zinc/63/14/18/599631418.db2.gz OXIDEQCYPQHPBR-UHFFFAOYSA-N -1 3 360.377 3.336 20 0 FGADHM CCc1ccc(-c2ccc(C(=O)Nc3ccc(-c4nn[n-]n4)cn3)o2)cc1 ZINC000821476512 599631419 /nfs/dbraw/zinc/63/14/19/599631419.db2.gz OXIDEQCYPQHPBR-UHFFFAOYSA-N -1 3 360.377 3.336 20 0 FGADHM CC(C)CCO[C@@H](C)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820076824 599632448 /nfs/dbraw/zinc/63/24/48/599632448.db2.gz UKCBWNUYXZUWGO-JTQLQIEISA-N -1 3 371.363 3.275 20 0 FGADHM CC(C)CCO[C@@H](C)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820076824 599632449 /nfs/dbraw/zinc/63/24/49/599632449.db2.gz UKCBWNUYXZUWGO-JTQLQIEISA-N -1 3 371.363 3.275 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1c(F)cccc1F ZINC000823303750 599632636 /nfs/dbraw/zinc/63/26/36/599632636.db2.gz UFVZDMVLEQTERD-UHFFFAOYSA-N -1 3 369.253 3.416 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1c(F)cccc1F ZINC000823303750 599632637 /nfs/dbraw/zinc/63/26/37/599632637.db2.gz UFVZDMVLEQTERD-UHFFFAOYSA-N -1 3 369.253 3.416 20 0 FGADHM Cc1ccc2c(CCC(=O)Nc3ccc(F)c(-c4nnn[n-]4)c3)c[nH]c2c1 ZINC000822275196 599649735 /nfs/dbraw/zinc/64/97/35/599649735.db2.gz PJHTXYPFBUBWOF-UHFFFAOYSA-N -1 3 364.384 3.367 20 0 FGADHM Cc1ccc2c(CCC(=O)Nc3ccc(F)c(-c4nn[n-]n4)c3)c[nH]c2c1 ZINC000822275196 599649736 /nfs/dbraw/zinc/64/97/36/599649736.db2.gz PJHTXYPFBUBWOF-UHFFFAOYSA-N -1 3 364.384 3.367 20 0 FGADHM C[C@H](OC(=O)C1CCCCCCC1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000820488344 599663014 /nfs/dbraw/zinc/66/30/14/599663014.db2.gz MWVLVIFBVBOVNQ-ZDUSSCGKSA-N -1 3 371.441 3.097 20 0 FGADHM C[C@H](OC(=O)C1CCCCCCC1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000820488344 599663015 /nfs/dbraw/zinc/66/30/15/599663015.db2.gz MWVLVIFBVBOVNQ-ZDUSSCGKSA-N -1 3 371.441 3.097 20 0 FGADHM O=C(OCCOc1ccccc1-c1nnn[n-]1)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000823409911 599665641 /nfs/dbraw/zinc/66/56/41/599665641.db2.gz NQQAUFNUVYWOKK-HZPDHXFCSA-N -1 3 356.426 3.005 20 0 FGADHM O=C(OCCOc1ccccc1-c1nn[n-]n1)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000823409911 599665642 /nfs/dbraw/zinc/66/56/42/599665642.db2.gz NQQAUFNUVYWOKK-HZPDHXFCSA-N -1 3 356.426 3.005 20 0 FGADHM C[C@H](CCc1ccccc1F)C(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000820252594 599669966 /nfs/dbraw/zinc/66/99/66/599669966.db2.gz CGYPBZMNWGHFFR-GFCCVEGCSA-N -1 3 372.375 3.457 20 0 FGADHM C[C@H](CCc1ccccc1F)C(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000820252594 599669967 /nfs/dbraw/zinc/66/99/67/599669967.db2.gz CGYPBZMNWGHFFR-GFCCVEGCSA-N -1 3 372.375 3.457 20 0 FGADHM C[C@@H](CCOc1ccccc1)C(=O)OCc1cccc(-c2nnn[n-]2)c1 ZINC000820248424 599672420 /nfs/dbraw/zinc/67/24/20/599672420.db2.gz HNATVADLNJXYGB-AWEZNQCLSA-N -1 3 352.394 3.015 20 0 FGADHM C[C@@H](CCOc1ccccc1)C(=O)OCc1cccc(-c2nn[n-]n2)c1 ZINC000820248424 599672421 /nfs/dbraw/zinc/67/24/21/599672421.db2.gz HNATVADLNJXYGB-AWEZNQCLSA-N -1 3 352.394 3.015 20 0 FGADHM CC(C)(C)[C@H]1CCCN(C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)CC1 ZINC000819908291 599679223 /nfs/dbraw/zinc/67/92/23/599679223.db2.gz ZKEWBZHLOSGQNO-HNNXBMFYSA-N -1 3 374.464 3.364 20 0 FGADHM CC(C)(C)[C@H]1CCCN(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)CC1 ZINC000819908291 599679224 /nfs/dbraw/zinc/67/92/24/599679224.db2.gz ZKEWBZHLOSGQNO-HNNXBMFYSA-N -1 3 374.464 3.364 20 0 FGADHM Cc1ccc2[nH]cc(CCC(=O)OCc3cccc(-c4nnn[n-]4)c3)c2c1 ZINC000822274661 599695122 /nfs/dbraw/zinc/69/51/22/599695122.db2.gz DVEQANHYKKMTHL-UHFFFAOYSA-N -1 3 361.405 3.332 20 0 FGADHM Cc1ccc2[nH]cc(CCC(=O)OCc3cccc(-c4nn[n-]n4)c3)c2c1 ZINC000822274661 599695123 /nfs/dbraw/zinc/69/51/23/599695123.db2.gz DVEQANHYKKMTHL-UHFFFAOYSA-N -1 3 361.405 3.332 20 0 FGADHM Cc1ccc2[nH]cc(CCC(=O)N(C)Cc3ccc(-c4nnn[n-]4)cc3)c2c1 ZINC000822274829 599696770 /nfs/dbraw/zinc/69/67/70/599696770.db2.gz KHHCKGXWWDGRTJ-UHFFFAOYSA-N -1 3 374.448 3.248 20 0 FGADHM Cc1ccc2[nH]cc(CCC(=O)N(C)Cc3ccc(-c4nn[n-]n4)cc3)c2c1 ZINC000822274829 599696771 /nfs/dbraw/zinc/69/67/71/599696771.db2.gz KHHCKGXWWDGRTJ-UHFFFAOYSA-N -1 3 374.448 3.248 20 0 FGADHM Cc1ccsc1[C@H]1C[C@H]1C(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000826316708 607392172 /nfs/dbraw/zinc/39/21/72/607392172.db2.gz WIXONKBHEAMWMB-UONOGXRCSA-N -1 3 358.398 3.223 20 0 FGADHM Cc1ccsc1[C@H]1C[C@H]1C(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000826316708 607392174 /nfs/dbraw/zinc/39/21/74/607392174.db2.gz WIXONKBHEAMWMB-UONOGXRCSA-N -1 3 358.398 3.223 20 0 FGADHM COc1cccc(CN(Cc2cc(C(=O)[O-])co2)C2CCC(O)CC2)c1 ZINC000738097996 599772262 /nfs/dbraw/zinc/77/22/62/599772262.db2.gz XMXHTLPTWJUSES-UHFFFAOYSA-N -1 3 359.422 3.292 20 0 FGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc(C(C)C)nc1 ZINC000820152263 607393449 /nfs/dbraw/zinc/39/34/49/607393449.db2.gz WAMOQJNYZDCBPW-UHFFFAOYSA-N -1 3 366.425 3.425 20 0 FGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(C(C)C)nc1 ZINC000820152263 607393451 /nfs/dbraw/zinc/39/34/51/607393451.db2.gz WAMOQJNYZDCBPW-UHFFFAOYSA-N -1 3 366.425 3.425 20 0 FGADHM O=C([O-])C1(NC(=O)CNC2(c3ccc(F)cc3)CCCC2)CCCCC1 ZINC000739308356 599803890 /nfs/dbraw/zinc/80/38/90/599803890.db2.gz IPDKVZBXYZPREH-UHFFFAOYSA-N -1 3 362.445 3.088 20 0 FGADHM O=C(Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)[C@H]1CCCCO1 ZINC000823350441 607396312 /nfs/dbraw/zinc/39/63/12/607396312.db2.gz NEAMHQFCFWAZAO-QGZVFWFLSA-N -1 3 365.393 3.167 20 0 FGADHM O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)[C@H]1CCCCO1 ZINC000823350441 607396313 /nfs/dbraw/zinc/39/63/13/607396313.db2.gz NEAMHQFCFWAZAO-QGZVFWFLSA-N -1 3 365.393 3.167 20 0 FGADHM CCc1nc(C)c([C@@H](C)OC(=O)c2ccc(-c3nnn[n-]3)cc2C)s1 ZINC000825746052 607400480 /nfs/dbraw/zinc/40/04/80/607400480.db2.gz QTULLGHLXOLJNF-LLVKDONJSA-N -1 3 357.439 3.420 20 0 FGADHM CCc1nc(C)c([C@@H](C)OC(=O)c2ccc(-c3nn[n-]n3)cc2C)s1 ZINC000825746052 607400481 /nfs/dbraw/zinc/40/04/81/607400481.db2.gz QTULLGHLXOLJNF-LLVKDONJSA-N -1 3 357.439 3.420 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)[C@@H]1C[C@@]12CCc1ccccc12 ZINC000826253601 607403614 /nfs/dbraw/zinc/40/36/14/607403614.db2.gz WTSBSCNUNKBKJI-GHTZIAJQSA-N -1 3 360.417 3.122 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)[C@@H]1C[C@@]12CCc1ccccc12 ZINC000826253601 607403615 /nfs/dbraw/zinc/40/36/15/607403615.db2.gz WTSBSCNUNKBKJI-GHTZIAJQSA-N -1 3 360.417 3.122 20 0 FGADHM CCCCn1ncc(C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1C ZINC000821081887 607403966 /nfs/dbraw/zinc/40/39/66/607403966.db2.gz DDHPJRHFHJXVFB-ZDUSSCGKSA-N -1 3 354.414 3.090 20 0 FGADHM CCCCn1ncc(C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000821081887 607403967 /nfs/dbraw/zinc/40/39/67/607403967.db2.gz DDHPJRHFHJXVFB-ZDUSSCGKSA-N -1 3 354.414 3.090 20 0 FGADHM COc1ccc([C@@H](C)CC(=O)OCc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000826187727 607410771 /nfs/dbraw/zinc/41/07/71/607410771.db2.gz CTYIPIUGYIIFDT-AWEZNQCLSA-N -1 3 366.421 3.421 20 0 FGADHM COc1ccc([C@@H](C)CC(=O)OCc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000826187727 607410773 /nfs/dbraw/zinc/41/07/73/607410773.db2.gz CTYIPIUGYIIFDT-AWEZNQCLSA-N -1 3 366.421 3.421 20 0 FGADHM Cc1oc(CN2CCC([C@@H](C)NC(=O)OC(C)(C)C)CC2)cc1C(=O)[O-] ZINC000738980401 600093403 /nfs/dbraw/zinc/09/34/03/600093403.db2.gz UIRNAUCUNRAMMK-GFCCVEGCSA-N -1 3 366.458 3.411 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)[C@@H](C)OC1CCCCCC1 ZINC000821736477 607419450 /nfs/dbraw/zinc/41/94/50/607419450.db2.gz KRZWZNMKLCPHNK-CYBMUJFWSA-N -1 3 374.441 3.046 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)[C@@H](C)OC1CCCCCC1 ZINC000821736477 607419452 /nfs/dbraw/zinc/41/94/52/607419452.db2.gz KRZWZNMKLCPHNK-CYBMUJFWSA-N -1 3 374.441 3.046 20 0 FGADHM CC(C)Oc1ccc(NC(=O)N2CCC[C@@H](C)CC2)cc1-c1nnn[n-]1 ZINC000820709035 607427964 /nfs/dbraw/zinc/42/79/64/607427964.db2.gz CEDWPEHDNLAHFP-CYBMUJFWSA-N -1 3 358.446 3.308 20 0 FGADHM CC(C)Oc1ccc(NC(=O)N2CCC[C@@H](C)CC2)cc1-c1nn[n-]n1 ZINC000820709035 607427965 /nfs/dbraw/zinc/42/79/65/607427965.db2.gz CEDWPEHDNLAHFP-CYBMUJFWSA-N -1 3 358.446 3.308 20 0 FGADHM Cc1ccc(OCCCC(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)c(C)c1 ZINC000826292007 607436088 /nfs/dbraw/zinc/43/60/88/607436088.db2.gz FBLVYSIQCJXACN-UHFFFAOYSA-N -1 3 365.437 3.306 20 0 FGADHM Cc1ccc(OCCCC(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)c(C)c1 ZINC000826292007 607436089 /nfs/dbraw/zinc/43/60/89/607436089.db2.gz FBLVYSIQCJXACN-UHFFFAOYSA-N -1 3 365.437 3.306 20 0 FGADHM O=C([O-])CCN(Cc1ccc(F)c(F)c1)C[C@H](O)c1ccc(F)cc1F ZINC000739720444 600327200 /nfs/dbraw/zinc/32/72/00/600327200.db2.gz YESDWGPLRYMSII-KRWDZBQOSA-N -1 3 371.330 3.253 20 0 FGADHM CCc1ccc([C@H](NC(=O)CN(C)C[C@@H](C)C(=O)[O-])c2cccs2)cc1 ZINC000737259546 600367551 /nfs/dbraw/zinc/36/75/51/600367551.db2.gz RWYIOAWOHUKHCV-KUHUBIRLSA-N -1 3 374.506 3.169 20 0 FGADHM CN(C(=O)c1cnc(-c2ccccc2)s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825834158 607439210 /nfs/dbraw/zinc/43/92/10/607439210.db2.gz QKEFZXNBVFGPCG-UHFFFAOYSA-N -1 3 362.418 3.267 20 0 FGADHM CN(C(=O)c1cnc(-c2ccccc2)s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825834158 607439212 /nfs/dbraw/zinc/43/92/12/607439212.db2.gz QKEFZXNBVFGPCG-UHFFFAOYSA-N -1 3 362.418 3.267 20 0 FGADHM CCOc1ccc(SCC(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000825643565 607441214 /nfs/dbraw/zinc/44/12/14/607441214.db2.gz QQXTYRSUDURJRZ-UHFFFAOYSA-N -1 3 369.450 3.021 20 0 FGADHM CCOc1ccc(SCC(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825643565 607441215 /nfs/dbraw/zinc/44/12/15/607441215.db2.gz QQXTYRSUDURJRZ-UHFFFAOYSA-N -1 3 369.450 3.021 20 0 FGADHM CCOC(=O)N(C)C1CCN([C@@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC000737143876 600404092 /nfs/dbraw/zinc/40/40/92/600404092.db2.gz BPHDDAUKKJFBBA-OAHLLOKOSA-N -1 3 354.834 3.018 20 0 FGADHM CC(C)N(CCC(=O)[O-])CC(=O)Nc1ccc(N2CCCCCC2)cc1 ZINC000736466354 600445268 /nfs/dbraw/zinc/44/52/68/600445268.db2.gz WOVFUOPSBMXWNG-UHFFFAOYSA-N -1 3 361.486 3.191 20 0 FGADHM C[C@@H](CN(CC[S@@](=O)c1cc(Cl)ccc1Cl)C1CC1)C(=O)[O-] ZINC000736579991 600459374 /nfs/dbraw/zinc/45/93/74/600459374.db2.gz WCCJWFXVXNJPLE-MLMJSJRWSA-N -1 3 364.294 3.286 20 0 FGADHM CN(CCNC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1)Cc1ccccc1 ZINC000387262073 600510656 /nfs/dbraw/zinc/51/06/56/600510656.db2.gz LGDYDSSNBGYXDM-UHFFFAOYSA-N -1 3 361.829 3.292 20 0 FGADHM Cc1cc(C)cc([C@@H](C)N[C@@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)c1 ZINC000738364106 600524283 /nfs/dbraw/zinc/52/42/83/600524283.db2.gz SIAXYUJNZBJPEN-CVEARBPZSA-N -1 3 354.450 3.357 20 0 FGADHM O=C(NCCCC1CCCC1)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826436551 607452344 /nfs/dbraw/zinc/45/23/44/607452344.db2.gz YBCSWISVMLFCQY-UHFFFAOYSA-N -1 3 354.458 3.125 20 0 FGADHM O=C(NCCCC1CCCC1)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826436551 607452345 /nfs/dbraw/zinc/45/23/45/607452345.db2.gz YBCSWISVMLFCQY-UHFFFAOYSA-N -1 3 354.458 3.125 20 0 FGADHM CCN(CC)[C@H](CNC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)c1ccsc1 ZINC000737085728 600655994 /nfs/dbraw/zinc/65/59/94/600655994.db2.gz RXSNQVDAAGBHPG-SQWLQELKSA-N -1 3 352.500 3.138 20 0 FGADHM O=C([O-])[C@@H](OC(=O)C1CCN(Cc2ccccc2)CC1)c1ccccc1F ZINC000833351780 600683753 /nfs/dbraw/zinc/68/37/53/600683753.db2.gz UGFHDAYTALUNLH-IBGZPJMESA-N -1 3 371.408 3.407 20 0 FGADHM CC(C)COc1ccccc1CNCc1ccc(-c2nn[n-]n2)cc1F ZINC000820102788 607474310 /nfs/dbraw/zinc/47/43/10/607474310.db2.gz KQOQMYXKSIUZEZ-UHFFFAOYSA-N -1 3 355.417 3.330 20 0 FGADHM C[C@@H]1CCN(C(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)CCN1Cc1ccccc1 ZINC000382555035 600977354 /nfs/dbraw/zinc/97/73/54/600977354.db2.gz HXGVNIBYMQHTPU-BHIYHBOVSA-N -1 3 358.482 3.000 20 0 FGADHM CN(C)Cc1cccc(C(=O)N2C[C@@H](C3CCCCC3)C[C@@H]2C(=O)[O-])c1 ZINC000830620221 600978642 /nfs/dbraw/zinc/97/86/42/600978642.db2.gz RSOHKMKNBQEZTO-RBUKOAKNSA-N -1 3 358.482 3.244 20 0 FGADHM CC(C)c1ncc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCC3)s1 ZINC000820206372 607493847 /nfs/dbraw/zinc/49/38/47/607493847.db2.gz JBVNCCDQJUPLGU-UHFFFAOYSA-N -1 3 360.468 3.249 20 0 FGADHM CC(C)c1ncc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)s1 ZINC000820206372 607493848 /nfs/dbraw/zinc/49/38/48/607493848.db2.gz JBVNCCDQJUPLGU-UHFFFAOYSA-N -1 3 360.468 3.249 20 0 FGADHM C[C@@H]1[C@@H](c2ccccc2)CCN1CC(=O)N(C)c1ccccc1C(=O)[O-] ZINC000828151002 601360017 /nfs/dbraw/zinc/36/00/17/601360017.db2.gz SSSDYAPKIBPZDA-WBVHZDCISA-N -1 3 352.434 3.226 20 0 FGADHM O=C([O-])c1ccc(OC[C@H](O)CN2CCCC[C@H]2c2ccc(F)cc2)cc1 ZINC000833321890 601452404 /nfs/dbraw/zinc/45/24/04/601452404.db2.gz QWMASIFWDUARMF-QUCCMNQESA-N -1 3 373.424 3.491 20 0 FGADHM C[C@H]1CN(Cc2ncc(-c3cccc(Br)c3)o2)C[C@H]1C(=O)[O-] ZINC000828461943 601521937 /nfs/dbraw/zinc/52/19/37/601521937.db2.gz FOTFDBOMBZABTC-GXFFZTMASA-N -1 3 365.227 3.257 20 0 FGADHM C[C@@H](C(=O)[O-])[C@@H](NCC(=O)Nc1nc2ccccc2s1)c1ccccc1 ZINC000826054256 601651369 /nfs/dbraw/zinc/65/13/69/601651369.db2.gz LMYFAAXCFRVHOH-SJKOYZFVSA-N -1 3 369.446 3.286 20 0 FGADHM CSc1ccc(NC(=O)CN[C@H](c2ccccc2)[C@H](C)C(=O)[O-])cc1 ZINC000832780978 601654938 /nfs/dbraw/zinc/65/49/38/601654938.db2.gz NHGYMSRQQVSILB-UGSOOPFHSA-N -1 3 358.463 3.399 20 0 FGADHM Cc1ccc(NC(=O)c2cc(C)c(OCC(=O)[O-])c(C)c2)c(CN(C)C)c1 ZINC000832948312 601688602 /nfs/dbraw/zinc/68/86/02/601688602.db2.gz ZHZQTUXVWGZLDR-UHFFFAOYSA-N -1 3 370.449 3.389 20 0 FGADHM COCc1cccc(COc2c(Cl)cc(-c3nnn[n-]3)cc2OC)c1 ZINC000826164438 607530876 /nfs/dbraw/zinc/53/08/76/607530876.db2.gz AGNWOJDBWHRGQW-UHFFFAOYSA-N -1 3 360.801 3.254 20 0 FGADHM COCc1cccc(COc2c(Cl)cc(-c3nn[n-]n3)cc2OC)c1 ZINC000826164438 607530877 /nfs/dbraw/zinc/53/08/77/607530877.db2.gz AGNWOJDBWHRGQW-UHFFFAOYSA-N -1 3 360.801 3.254 20 0 FGADHM COc1ccc(-c2nc(CN[C@@H](C(=O)[O-])C(C)(C)C)cs2)cc1OC ZINC000832129540 601869794 /nfs/dbraw/zinc/86/97/94/601869794.db2.gz AYGMFPDDVBGAJX-HNNXBMFYSA-N -1 3 364.467 3.416 20 0 FGADHM C[C@@H]1C[C@H](NC(=O)Nc2cc(C(=O)[O-])ccc2F)CN1Cc1ccccc1 ZINC000398231298 601930615 /nfs/dbraw/zinc/93/06/15/601930615.db2.gz ZVZWKDWSKRVLMV-CJNGLKHVSA-N -1 3 371.412 3.308 20 0 FGADHM CN(C(=O)CN1CC[C@@](C)(C(=O)[O-])C1)C(c1ccccc1)c1ccccc1 ZINC000263185901 601935314 /nfs/dbraw/zinc/93/53/14/601935314.db2.gz SCNQKQVBOCDPDW-JOCHJYFZSA-N -1 3 366.461 3.031 20 0 FGADHM C[C@H]1C[C@@H](NC(=O)CCc2ccc(C(=O)[O-])cc2)CN1Cc1ccccc1 ZINC000828167211 602023300 /nfs/dbraw/zinc/02/33/00/602023300.db2.gz DLAUIMBVTSWDIO-OXJNMPFZSA-N -1 3 366.461 3.097 20 0 FGADHM COc1ccc(CSc2ccc(C(C)=O)cc2OC)cc1-c1nnn[n-]1 ZINC000826177542 607540899 /nfs/dbraw/zinc/54/08/99/607540899.db2.gz MGOPNVLXOQVJFG-UHFFFAOYSA-N -1 3 370.434 3.379 20 0 FGADHM COc1ccc(CSc2ccc(C(C)=O)cc2OC)cc1-c1nn[n-]n1 ZINC000826177542 607540901 /nfs/dbraw/zinc/54/09/01/607540901.db2.gz MGOPNVLXOQVJFG-UHFFFAOYSA-N -1 3 370.434 3.379 20 0 FGADHM COc1ccc(CSc2nnc(-c3ccoc3C)o2)cc1-c1nnn[n-]1 ZINC000826207972 607540907 /nfs/dbraw/zinc/54/09/07/607540907.db2.gz MRHAJROIARVFPB-UHFFFAOYSA-N -1 3 370.394 3.119 20 0 FGADHM COc1ccc(CSc2nnc(-c3ccoc3C)o2)cc1-c1nn[n-]n1 ZINC000826207972 607540909 /nfs/dbraw/zinc/54/09/09/607540909.db2.gz MRHAJROIARVFPB-UHFFFAOYSA-N -1 3 370.394 3.119 20 0 FGADHM COc1cc(OC)cc([C@@H](NCc2cccc(OC(C)C)c2)C(=O)[O-])c1 ZINC000832057668 602167379 /nfs/dbraw/zinc/16/73/79/602167379.db2.gz QPSDHRHWODBQAS-LJQANCHMSA-N -1 3 359.422 3.407 20 0 FGADHM CC(C)N1CCN(c2ccc(C(=O)Nc3cc(C(=O)[O-])cs3)cc2)CC1 ZINC000826966833 602183758 /nfs/dbraw/zinc/18/37/58/602183758.db2.gz YADCIQGEIXTBON-UHFFFAOYSA-N -1 3 373.478 3.229 20 0 FGADHM Fc1cccc([C@@H](NCc2ccnc(-c3nnn[n-]3)c2)c2ccccc2)c1 ZINC000826376546 607552459 /nfs/dbraw/zinc/55/24/59/607552459.db2.gz IQTLJVQZKQALTA-IBGZPJMESA-N -1 3 360.396 3.280 20 0 FGADHM CCC(CC)(CC(=O)[O-])NCc1nnc(-c2ccc(Br)o2)o1 ZINC000828805021 602212102 /nfs/dbraw/zinc/21/21/02/602212102.db2.gz YOALAZNZDBMQAW-UHFFFAOYSA-N -1 3 372.219 3.215 20 0 FGADHM CC(C)(C)CCN1CCN(C(=O)Nc2ccc3c(c2)CCN3C(=O)[O-])CC1 ZINC000738696565 602276038 /nfs/dbraw/zinc/27/60/38/602276038.db2.gz IDFMLZUQCJAZFN-UHFFFAOYSA-N -1 3 374.485 3.313 20 0 FGADHM CCC[C@H](O)CC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000825247477 607557748 /nfs/dbraw/zinc/55/77/48/607557748.db2.gz FCQAIMWESSTFHW-HNNXBMFYSA-N -1 3 367.409 3.149 20 0 FGADHM CCC[C@H](O)CC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825247477 607557749 /nfs/dbraw/zinc/55/77/49/607557749.db2.gz FCQAIMWESSTFHW-HNNXBMFYSA-N -1 3 367.409 3.149 20 0 FGADHM FC(F)(F)c1ccc(NC[C@@H]2CCCn3ccnc32)c(-c2nnn[n-]2)c1 ZINC000826368999 607558963 /nfs/dbraw/zinc/55/89/63/607558963.db2.gz IZHGSUPCQMGERA-JTQLQIEISA-N -1 3 363.347 3.072 20 0 FGADHM FC(F)(F)c1ccc(NC[C@@H]2CCCn3ccnc32)c(-c2nn[n-]n2)c1 ZINC000826368999 607558966 /nfs/dbraw/zinc/55/89/66/607558966.db2.gz IZHGSUPCQMGERA-JTQLQIEISA-N -1 3 363.347 3.072 20 0 FGADHM CC(C)[C@@H](O)CC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824206714 607559143 /nfs/dbraw/zinc/55/91/43/607559143.db2.gz HJGGDJAYDABQKI-KRWDZBQOSA-N -1 3 367.409 3.005 20 0 FGADHM CC(C)[C@@H](O)CC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824206714 607559144 /nfs/dbraw/zinc/55/91/44/607559144.db2.gz HJGGDJAYDABQKI-KRWDZBQOSA-N -1 3 367.409 3.005 20 0 FGADHM C[C@@H]1C[C@H](NC(=O)Nc2ccc(C(=O)[O-])c(F)c2)CN1Cc1ccccc1 ZINC000398182779 602385194 /nfs/dbraw/zinc/38/51/94/602385194.db2.gz KOYDPQQLXZNEMF-CJNGLKHVSA-N -1 3 371.412 3.308 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cc(F)c(F)cc1F ZINC000826451936 607577609 /nfs/dbraw/zinc/57/76/09/607577609.db2.gz BVCMLFCPPNXECS-UHFFFAOYSA-N -1 3 353.691 3.190 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cc(F)c(F)cc1F ZINC000826451936 607577610 /nfs/dbraw/zinc/57/76/10/607577610.db2.gz BVCMLFCPPNXECS-UHFFFAOYSA-N -1 3 353.691 3.190 20 0 FGADHM O=C([O-])N[C@@H](CNC(=O)c1cccc(CN2CCCC2)c1)c1ccccc1 ZINC000740534321 603023587 /nfs/dbraw/zinc/02/35/87/603023587.db2.gz KYYCZEBKJDYQTO-IBGZPJMESA-N -1 3 367.449 3.021 20 0 FGADHM COc1ccc(COC(=O)c2cc3occc3s2)cc1-c1nnn[n-]1 ZINC000826205738 607609688 /nfs/dbraw/zinc/60/96/88/607609688.db2.gz JZLBKHQYNXDBRQ-UHFFFAOYSA-N -1 3 356.363 3.040 20 0 FGADHM COc1ccc(COC(=O)c2cc3occc3s2)cc1-c1nn[n-]n1 ZINC000826205738 607609689 /nfs/dbraw/zinc/60/96/89/607609689.db2.gz JZLBKHQYNXDBRQ-UHFFFAOYSA-N -1 3 356.363 3.040 20 0 FGADHM COc1cc2c(cc1CNC[C@@H](NC(=O)[O-])c1ccccc1)O[C@@H](C)C2 ZINC000829224225 603175440 /nfs/dbraw/zinc/17/54/40/603175440.db2.gz HGUATRLTMIXUNP-SUMWQHHRSA-N -1 3 356.422 3.117 20 0 FGADHM CCC(CC)[C@@H](CCNC(=O)Nc1cc(-c2nnn[n-]2)ccc1C)OC ZINC000825095471 607617948 /nfs/dbraw/zinc/61/79/48/607617948.db2.gz GWSBEQKFKIFADH-MRXNPFEDSA-N -1 3 360.462 3.138 20 0 FGADHM CCC(CC)[C@@H](CCNC(=O)Nc1cc(-c2nn[n-]n2)ccc1C)OC ZINC000825095471 607617950 /nfs/dbraw/zinc/61/79/50/607617950.db2.gz GWSBEQKFKIFADH-MRXNPFEDSA-N -1 3 360.462 3.138 20 0 FGADHM CC[C@H](C)N(Cc1nc2ccccc2c(=O)[nH]1)CC1CCN(C(=O)[O-])CC1 ZINC000739243294 603346373 /nfs/dbraw/zinc/34/63/73/603346373.db2.gz GARHJLROLSAOKC-AWEZNQCLSA-N -1 3 372.469 3.326 20 0 FGADHM Cc1ccc(CN(CCN(C)C)C(=O)c2ccc(C)c(NC(=O)[O-])c2)o1 ZINC000830308719 603428326 /nfs/dbraw/zinc/42/83/26/603428326.db2.gz LVSFOHCNBSOTQY-UHFFFAOYSA-N -1 3 359.426 3.190 20 0 FGADHM Cc1ccc(C(=O)N(CCN(C)C)Cc2cccc(F)c2)cc1NC(=O)[O-] ZINC000830186117 603428475 /nfs/dbraw/zinc/42/84/75/603428475.db2.gz FVPNIYGIHBSVAG-UHFFFAOYSA-N -1 3 373.428 3.428 20 0 FGADHM CCN(CC1CCN(Cc2cnc3c(cnn3C(C)C)c2)CC1)C(=O)[O-] ZINC000827099162 603510862 /nfs/dbraw/zinc/51/08/62/603510862.db2.gz MNXGPELAPVCYHI-UHFFFAOYSA-N -1 3 359.474 3.224 20 0 FGADHM CC(C)N(CCCNC(=O)c1oc2ccccc2c1CN(C)C)C(=O)[O-] ZINC000824346978 603568067 /nfs/dbraw/zinc/56/80/67/603568067.db2.gz QXYTYKISHXDDDH-UHFFFAOYSA-N -1 3 361.442 3.003 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000826249913 607646684 /nfs/dbraw/zinc/64/66/84/607646684.db2.gz BAVSRLDUTUIIJO-UHFFFAOYSA-N -1 3 362.437 3.418 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000826249913 607646685 /nfs/dbraw/zinc/64/66/85/607646685.db2.gz BAVSRLDUTUIIJO-UHFFFAOYSA-N -1 3 362.437 3.418 20 0 FGADHM CN(C)C(=O)Sc1ccc(CN2CCC(CN(C)C(=O)[O-])CC2)cc1 ZINC000827976298 603734672 /nfs/dbraw/zinc/73/46/72/603734672.db2.gz TZSBGIAIVOJVMS-UHFFFAOYSA-N -1 3 365.499 3.282 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@@H](C)Cc1ccccc1Cl ZINC000826247325 607664927 /nfs/dbraw/zinc/66/49/27/607664927.db2.gz ZQCNIGAXTITHHX-LBPRGKRZSA-N -1 3 355.829 3.190 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@@H](C)Cc1ccccc1Cl ZINC000826247325 607664929 /nfs/dbraw/zinc/66/49/29/607664929.db2.gz ZQCNIGAXTITHHX-LBPRGKRZSA-N -1 3 355.829 3.190 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccc(N2CCCC2)c(F)c1 ZINC000826249898 607666937 /nfs/dbraw/zinc/66/69/37/607666937.db2.gz AGXPJIGFTQLPIT-UHFFFAOYSA-N -1 3 366.400 3.167 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccc(N2CCCC2)c(F)c1 ZINC000826249898 607666938 /nfs/dbraw/zinc/66/69/38/607666938.db2.gz AGXPJIGFTQLPIT-UHFFFAOYSA-N -1 3 366.400 3.167 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@H](C)c1ccc(F)c(Cl)c1 ZINC000826246533 607670492 /nfs/dbraw/zinc/67/04/92/607670492.db2.gz GHOJGUBQQAJZRU-SNVBAGLBSA-N -1 3 359.792 3.459 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@H](C)c1ccc(F)c(Cl)c1 ZINC000826246533 607670493 /nfs/dbraw/zinc/67/04/93/607670493.db2.gz GHOJGUBQQAJZRU-SNVBAGLBSA-N -1 3 359.792 3.459 20 0 FGADHM FC(F)(F)c1ccc(N2CCC[C@H]([C@@H]3CCOC3)C2)c(-c2nnn[n-]2)c1 ZINC000826368091 607681962 /nfs/dbraw/zinc/68/19/62/607681962.db2.gz BLTHVVRCBLPGOC-NWDGAFQWSA-N -1 3 367.375 3.138 20 0 FGADHM FC(F)(F)c1ccc(N2CCC[C@H]([C@@H]3CCOC3)C2)c(-c2nn[n-]n2)c1 ZINC000826368091 607681965 /nfs/dbraw/zinc/68/19/65/607681965.db2.gz BLTHVVRCBLPGOC-NWDGAFQWSA-N -1 3 367.375 3.138 20 0 FGADHM O=C([O-])N1CCC[C@@H](N[C@@H]2CCCOc3ccc(Br)cc32)C1 ZINC000833279274 604286801 /nfs/dbraw/zinc/28/68/01/604286801.db2.gz ZLLVYUBKEHQXRH-TZMCWYRMSA-N -1 3 369.259 3.395 20 0 FGADHM CN(C)CCN(CC1CCCCC1)C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000830604996 604291487 /nfs/dbraw/zinc/29/14/87/604291487.db2.gz 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Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCc2cc(F)ccc2[C@H]1C ZINC000826245548 607694105 /nfs/dbraw/zinc/69/41/05/607694105.db2.gz BDRVIFUBHFFDSH-GFCCVEGCSA-N -1 3 351.385 3.074 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCc2cc(F)ccc2[C@H]1C ZINC000826245548 607694106 /nfs/dbraw/zinc/69/41/06/607694106.db2.gz BDRVIFUBHFFDSH-GFCCVEGCSA-N -1 3 351.385 3.074 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000826246391 607698853 /nfs/dbraw/zinc/69/88/53/607698853.db2.gz CLRXMKLPMBWERC-SFHVURJKSA-N -1 3 367.428 3.311 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000826246391 607698855 /nfs/dbraw/zinc/69/88/55/607698855.db2.gz CLRXMKLPMBWERC-SFHVURJKSA-N -1 3 367.428 3.311 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NC[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000826247404 607702332 /nfs/dbraw/zinc/70/23/32/607702332.db2.gz BTRNISSAYJPYBR-AAEUAGOBSA-N -1 3 367.375 3.274 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NC[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000826247404 607702333 /nfs/dbraw/zinc/70/23/33/607702333.db2.gz BTRNISSAYJPYBR-AAEUAGOBSA-N -1 3 367.375 3.274 20 0 FGADHM CC[C@@H](C)OCC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000825075273 607705497 /nfs/dbraw/zinc/70/54/97/607705497.db2.gz NZYMLMCENDMPSX-CYBMUJFWSA-N -1 3 367.409 3.413 20 0 FGADHM CC[C@@H](C)OCC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000825075273 607705498 /nfs/dbraw/zinc/70/54/98/607705498.db2.gz NZYMLMCENDMPSX-CYBMUJFWSA-N -1 3 367.409 3.413 20 0 FGADHM O=C(NCC1(c2ccc(Cl)cc2)CCCC1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826434413 607705740 /nfs/dbraw/zinc/70/57/40/607705740.db2.gz MDYLENRJOJNDST-UHFFFAOYSA-N -1 3 370.844 3.090 20 0 FGADHM O=C(NCC1(c2ccc(Cl)cc2)CCCC1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826434413 607705741 /nfs/dbraw/zinc/70/57/41/607705741.db2.gz MDYLENRJOJNDST-UHFFFAOYSA-N -1 3 370.844 3.090 20 0 FGADHM C[C@@H](c1ccncc1)N1CCC(NC(=O)c2cccc(NC(=O)[O-])c2)CC1 ZINC000833551066 604940837 /nfs/dbraw/zinc/94/08/37/604940837.db2.gz QICKXCNCXYANKX-AWEZNQCLSA-N -1 3 368.437 3.127 20 0 FGADHM CC(C)(C)OC(=O)N1CC[C@@H](N(Cc2ccsc2C(=O)[O-])C2CC2)C1 ZINC000833435964 604971056 /nfs/dbraw/zinc/97/10/56/604971056.db2.gz BDANOJMEOBYJAQ-CQSZACIVSA-N -1 3 366.483 3.420 20 0 FGADHM O=C([O-])[C@H](O)C1CCN(CCOc2ccc(Oc3ccccc3)cc2)CC1 ZINC000833770905 604985655 /nfs/dbraw/zinc/98/56/55/604985655.db2.gz QQMDZFWKUNOWDA-HXUWFJFHSA-N -1 3 371.433 3.015 20 0 FGADHM C[C@]1(NCc2nc(-c3ccc(F)c(F)c3)no2)CCCC[C@@H]1C(=O)[O-] ZINC000833569204 605069370 /nfs/dbraw/zinc/06/93/70/605069370.db2.gz KFAIYRBUYGUXNP-DIFFPNOSSA-N -1 3 351.353 3.138 20 0 FGADHM CC(C)(C(=O)[O-])[C@@H](NCC(=O)Nc1cccnc1Cl)c1ccccc1 ZINC000833412793 605182900 /nfs/dbraw/zinc/18/29/00/605182900.db2.gz LMEKCELIZMEGEZ-HNNXBMFYSA-N -1 3 361.829 3.115 20 0 FGADHM CCOc1ccc([C@H](C)N[C@H](C(=O)[O-])c2cccc(C(=O)OC)c2)cc1 ZINC000833664326 605194815 /nfs/dbraw/zinc/19/48/15/605194815.db2.gz SBNXMLCFTLHNPV-UGSOOPFHSA-N -1 3 357.406 3.348 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(Cl)nc1C ZINC000825332983 607742736 /nfs/dbraw/zinc/74/27/36/607742736.db2.gz OOZOMOSYXKBVIL-UHFFFAOYSA-N -1 3 371.832 3.298 20 0 FGADHM O=C([O-])N1CC[C@@H](CN[C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)C1 ZINC000834054143 605337725 /nfs/dbraw/zinc/33/77/25/605337725.db2.gz NZNHPQNBJMOEKF-KBXCAEBGSA-N -1 3 371.412 3.095 20 0 FGADHM O=C([O-])N1CC[C@H](CN[C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)C1 ZINC000834054151 605338331 /nfs/dbraw/zinc/33/83/31/605338331.db2.gz NZNHPQNBJMOEKF-RDTXWAMCSA-N -1 3 371.412 3.095 20 0 FGADHM CCCCCOc1cc(C)ccc1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000825276070 607750458 /nfs/dbraw/zinc/75/04/58/607750458.db2.gz ODGUMXPCHAVTBD-UHFFFAOYSA-N -1 3 368.441 3.002 20 0 FGADHM CCCCCOc1cc(C)ccc1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000825276070 607750459 /nfs/dbraw/zinc/75/04/59/607750459.db2.gz ODGUMXPCHAVTBD-UHFFFAOYSA-N -1 3 368.441 3.002 20 0 FGADHM C[C@@H]1CC[C@H](C)N1CC(=O)N[C@@H](CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000833605064 605412007 /nfs/dbraw/zinc/41/20/07/605412007.db2.gz WOZLAFPBDJWUFJ-ZOWXZIJZSA-N -1 3 372.387 3.210 20 0 FGADHM CCOC(=O)Nc1ccc(NC(=O)C[C@H](CC)C(C)C)cc1-c1nnn[n-]1 ZINC000825530738 607760931 /nfs/dbraw/zinc/76/09/31/607760931.db2.gz DUEFRPZCURZYDF-LBPRGKRZSA-N -1 3 374.445 3.446 20 0 FGADHM CCOC(=O)Nc1ccc(NC(=O)C[C@H](CC)C(C)C)cc1-c1nn[n-]n1 ZINC000825530738 607760932 /nfs/dbraw/zinc/76/09/32/607760932.db2.gz DUEFRPZCURZYDF-LBPRGKRZSA-N -1 3 374.445 3.446 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N1CC[C@@H]1c1cccc(F)c1 ZINC000826454023 607763942 /nfs/dbraw/zinc/76/39/42/607763942.db2.gz HHJLAZBWMZNEIO-OAHLLOKOSA-N -1 3 356.336 3.124 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N1CC[C@@H]1c1cccc(F)c1 ZINC000826454023 607763943 /nfs/dbraw/zinc/76/39/43/607763943.db2.gz HHJLAZBWMZNEIO-OAHLLOKOSA-N -1 3 356.336 3.124 20 0 FGADHM O=C([O-])Nc1cccc(CC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000834264960 605759348 /nfs/dbraw/zinc/75/93/48/605759348.db2.gz IYHYCFDHWAGXFI-LJQANCHMSA-N -1 3 367.449 3.100 20 0 FGADHM Cc1nccn1-c1ccc(CN[C@@H]2C[C@@H](NC(=O)[O-])c3ccccc32)cn1 ZINC000833919371 605791176 /nfs/dbraw/zinc/79/11/76/605791176.db2.gz WPZNJXHSZWJODQ-QZTJIDSGSA-N -1 3 363.421 3.119 20 0 FGADHM O=C([O-])N[C@@H]1C[C@@H](NCc2ccc(N3CCCC3)nc2)c2ccccc21 ZINC000834157780 605791622 /nfs/dbraw/zinc/79/16/22/605791622.db2.gz KCUVVFGRQPYGCN-QZTJIDSGSA-N -1 3 352.438 3.225 20 0 FGADHM O=C([O-])NCCCOC1CCN([C@@H]2CCc3c2cccc3Cl)CC1 ZINC000834239020 605875396 /nfs/dbraw/zinc/87/53/96/605875396.db2.gz WBPYJLXDHMWMBR-QGZVFWFLSA-N -1 3 352.862 3.466 20 0 FGADHM c1ccc(COc2ccccc2CNc2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000823787360 606054265 /nfs/dbraw/zinc/05/42/65/606054265.db2.gz LOWSVPLVUMQVIZ-UHFFFAOYSA-N -1 3 358.405 3.453 20 0 FGADHM c1ccc(COc2ccccc2CNc2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000823787360 606054269 /nfs/dbraw/zinc/05/42/69/606054269.db2.gz LOWSVPLVUMQVIZ-UHFFFAOYSA-N -1 3 358.405 3.453 20 0 FGADHM c1nc2ccccc2n1-c1ccc(CNc2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000823802066 606066367 /nfs/dbraw/zinc/06/63/67/606066367.db2.gz HHJXGJUYXRSBNJ-UHFFFAOYSA-N -1 3 368.404 3.213 20 0 FGADHM c1nc2ccccc2n1-c1ccc(CNc2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000823802066 606066373 /nfs/dbraw/zinc/06/63/73/606066373.db2.gz HHJXGJUYXRSBNJ-UHFFFAOYSA-N -1 3 368.404 3.213 20 0 FGADHM CSCc1cc(C(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)ccc1F ZINC000821970163 606108131 /nfs/dbraw/zinc/10/81/31/606108131.db2.gz JRLAJPCWRTZOOL-UHFFFAOYSA-N -1 3 371.441 3.141 20 0 FGADHM CSCc1cc(C(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)ccc1F ZINC000821970163 606108134 /nfs/dbraw/zinc/10/81/34/606108134.db2.gz JRLAJPCWRTZOOL-UHFFFAOYSA-N -1 3 371.441 3.141 20 0 FGADHM CCC(C)(C)NC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000820848201 606114816 /nfs/dbraw/zinc/11/48/16/606114816.db2.gz SRTVDHKKJJPAAU-UHFFFAOYSA-N -1 3 367.413 3.364 20 0 FGADHM CCC(C)(C)NC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000820848201 606114817 /nfs/dbraw/zinc/11/48/17/606114817.db2.gz SRTVDHKKJJPAAU-UHFFFAOYSA-N -1 3 367.413 3.364 20 0 FGADHM C[C@H](NC(=O)c1scnc1C(C)(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820403793 606122082 /nfs/dbraw/zinc/12/20/82/606122082.db2.gz MTCIUWUAKGDHEC-JTQLQIEISA-N -1 3 356.455 3.112 20 0 FGADHM C[C@H](NC(=O)c1scnc1C(C)(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820403793 606122083 /nfs/dbraw/zinc/12/20/83/606122083.db2.gz MTCIUWUAKGDHEC-JTQLQIEISA-N -1 3 356.455 3.112 20 0 FGADHM CN(C)c1cccc([C@H]2CCCN2c2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000821591022 606124622 /nfs/dbraw/zinc/12/46/22/606124622.db2.gz QPTSKHFQXDBTMG-QGZVFWFLSA-N -1 3 352.417 3.413 20 0 FGADHM CN(C)c1cccc([C@H]2CCCN2c2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000821591022 606124624 /nfs/dbraw/zinc/12/46/24/606124624.db2.gz QPTSKHFQXDBTMG-QGZVFWFLSA-N -1 3 352.417 3.413 20 0 FGADHM C[C@@H](NC(=S)Nc1ccccc1-c1nnn[n-]1)[C@@H](C)c1ccccc1 ZINC000820403684 606167535 /nfs/dbraw/zinc/16/75/35/606167535.db2.gz KYPCZSZANUOISL-CHWSQXEVSA-N -1 3 352.467 3.345 20 0 FGADHM C[C@@H](NC(=S)Nc1ccccc1-c1nn[n-]n1)[C@@H](C)c1ccccc1 ZINC000820403684 606167536 /nfs/dbraw/zinc/16/75/36/606167536.db2.gz KYPCZSZANUOISL-CHWSQXEVSA-N -1 3 352.467 3.345 20 0 FGADHM C[C@H](OC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1)[C@H]1CCOC1 ZINC000820512044 606181871 /nfs/dbraw/zinc/18/18/71/606181871.db2.gz GAXMBWHFCPXENC-KBPBESRZSA-N -1 3 364.405 3.116 20 0 FGADHM C[C@H](OC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1)[C@H]1CCOC1 ZINC000820512044 606181873 /nfs/dbraw/zinc/18/18/73/606181873.db2.gz GAXMBWHFCPXENC-KBPBESRZSA-N -1 3 364.405 3.116 20 0 FGADHM CN(C(=O)c1cccc(C(F)(F)F)c1F)c1cccc(-c2nnn[n-]2)c1 ZINC000821574370 606185359 /nfs/dbraw/zinc/18/53/59/606185359.db2.gz DDXLCGCRFXQFIY-UHFFFAOYSA-N -1 3 365.290 3.301 20 0 FGADHM CN(C(=O)c1cccc(C(F)(F)F)c1F)c1cccc(-c2nn[n-]n2)c1 ZINC000821574370 606185361 /nfs/dbraw/zinc/18/53/61/606185361.db2.gz DDXLCGCRFXQFIY-UHFFFAOYSA-N -1 3 365.290 3.301 20 0 FGADHM C[C@@H]1[C@H](C)Sc2ccccc2N1C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820819820 606190900 /nfs/dbraw/zinc/19/09/00/606190900.db2.gz LFLGPZWYMXUCNQ-OLZOCXBDSA-N -1 3 365.462 3.325 20 0 FGADHM C[C@@H]1[C@H](C)Sc2ccccc2N1C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820819820 606190901 /nfs/dbraw/zinc/19/09/01/606190901.db2.gz LFLGPZWYMXUCNQ-OLZOCXBDSA-N -1 3 365.462 3.325 20 0 FGADHM CC(C)(NC(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)c(F)c1 ZINC000819987834 606193695 /nfs/dbraw/zinc/19/36/95/606193695.db2.gz NSEWOYKUKAHBNE-UHFFFAOYSA-N -1 3 358.352 3.202 20 0 FGADHM CC(C)(NC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)c(F)c1 ZINC000819987834 606193696 /nfs/dbraw/zinc/19/36/96/606193696.db2.gz NSEWOYKUKAHBNE-UHFFFAOYSA-N -1 3 358.352 3.202 20 0 FGADHM COCc1nc2cc(N[C@H](C)c3ccc(-c4nnn[n-]4)cc3)ccc2o1 ZINC000821696403 606202499 /nfs/dbraw/zinc/20/24/99/606202499.db2.gz BZVQCUSYSIVRKF-LLVKDONJSA-N -1 3 350.382 3.327 20 0 FGADHM COCc1nc2cc(N[C@H](C)c3ccc(-c4nn[n-]n4)cc3)ccc2o1 ZINC000821696403 606202501 /nfs/dbraw/zinc/20/25/01/606202501.db2.gz BZVQCUSYSIVRKF-LLVKDONJSA-N -1 3 350.382 3.327 20 0 FGADHM O=C([C@H]1C[C@H]1C1CC1)N(Cc1ccccc1)c1ccccc1-c1nnn[n-]1 ZINC000822916928 606224173 /nfs/dbraw/zinc/22/41/73/606224173.db2.gz ITMQPKZELWYCEL-ROUUACIJSA-N -1 3 359.433 3.446 20 0 FGADHM O=C([C@H]1C[C@H]1C1CC1)N(Cc1ccccc1)c1ccccc1-c1nn[n-]n1 ZINC000822916928 606224175 /nfs/dbraw/zinc/22/41/75/606224175.db2.gz ITMQPKZELWYCEL-ROUUACIJSA-N -1 3 359.433 3.446 20 0 FGADHM CC(C)(C)n1ncc2c1CCC[C@@H]2Nc1cccc(F)c1-c1nnn[n-]1 ZINC000819976219 606224623 /nfs/dbraw/zinc/22/46/23/606224623.db2.gz QUVRXTORKQFRBZ-ZDUSSCGKSA-N -1 3 355.421 3.447 20 0 FGADHM CC(C)(C)n1ncc2c1CCC[C@@H]2Nc1cccc(F)c1-c1nn[n-]n1 ZINC000819976219 606224624 /nfs/dbraw/zinc/22/46/24/606224624.db2.gz QUVRXTORKQFRBZ-ZDUSSCGKSA-N -1 3 355.421 3.447 20 0 FGADHM Cc1cc(-c2ccccc2)ccc1NC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000822128431 606225327 /nfs/dbraw/zinc/22/53/27/606225327.db2.gz CDLMXFQCCQLFPK-UHFFFAOYSA-N -1 3 358.405 3.433 20 0 FGADHM Cc1cc(-c2ccccc2)ccc1NC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000822128431 606225328 /nfs/dbraw/zinc/22/53/28/606225328.db2.gz CDLMXFQCCQLFPK-UHFFFAOYSA-N -1 3 358.405 3.433 20 0 FGADHM Cc1c(Cl)cc(NC(=O)c2cc(-c3nnn[n-]3)cn2C)cc1Cl ZINC000822035103 606237312 /nfs/dbraw/zinc/23/73/12/606237312.db2.gz QBDRJNBZNUFSAS-UHFFFAOYSA-N -1 3 351.197 3.073 20 0 FGADHM Cc1c(Cl)cc(NC(=O)c2cc(-c3nn[n-]n3)cn2C)cc1Cl ZINC000822035103 606237314 /nfs/dbraw/zinc/23/73/14/606237314.db2.gz QBDRJNBZNUFSAS-UHFFFAOYSA-N -1 3 351.197 3.073 20 0 FGADHM COc1cccc(C(C)=CC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000821859696 606259229 /nfs/dbraw/zinc/25/92/29/606259229.db2.gz RSPZKKRMNSOGEO-JWAFFJSPSA-N -1 3 363.421 3.156 20 0 FGADHM COc1cccc(C(C)=CC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000821859696 606259230 /nfs/dbraw/zinc/25/92/30/606259230.db2.gz RSPZKKRMNSOGEO-JWAFFJSPSA-N -1 3 363.421 3.156 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)c1ccc(OC(F)(F)F)cc1 ZINC000823346345 606266359 /nfs/dbraw/zinc/26/63/59/606266359.db2.gz LXUSUAOMTRWQGI-UHFFFAOYSA-N -1 3 367.262 3.157 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)c1ccc(OC(F)(F)F)cc1 ZINC000823346345 606266361 /nfs/dbraw/zinc/26/63/61/606266361.db2.gz LXUSUAOMTRWQGI-UHFFFAOYSA-N -1 3 367.262 3.157 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)c1ccccc1OCC1CC1 ZINC000823347259 606273385 /nfs/dbraw/zinc/27/33/85/606273385.db2.gz VGRIOFNIFUNPJH-UHFFFAOYSA-N -1 3 353.357 3.047 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)c1ccccc1OCC1CC1 ZINC000823347259 606273387 /nfs/dbraw/zinc/27/33/87/606273387.db2.gz VGRIOFNIFUNPJH-UHFFFAOYSA-N -1 3 353.357 3.047 20 0 FGADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1cccc(Nc2ccccc2)c1 ZINC000822650638 606289763 /nfs/dbraw/zinc/28/97/63/606289763.db2.gz XJRLOYNRLMAGMD-UHFFFAOYSA-N -1 3 359.393 3.201 20 0 FGADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1cccc(Nc2ccccc2)c1 ZINC000822650638 606289765 /nfs/dbraw/zinc/28/97/65/606289765.db2.gz XJRLOYNRLMAGMD-UHFFFAOYSA-N -1 3 359.393 3.201 20 0 FGADHM COC(=O)[C@@H](N[C@H](C)c1ccccc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000821641227 606298456 /nfs/dbraw/zinc/29/84/56/606298456.db2.gz YLVWKJZSKKQULK-BZNIZROVSA-N -1 3 371.828 3.085 20 0 FGADHM COC(=O)[C@@H](N[C@H](C)c1ccccc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000821641227 606298457 /nfs/dbraw/zinc/29/84/57/606298457.db2.gz YLVWKJZSKKQULK-BZNIZROVSA-N -1 3 371.828 3.085 20 0 FGADHM COC(=O)[C@H](NCCCCC1CCCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000821642730 606309465 /nfs/dbraw/zinc/30/94/65/606309465.db2.gz OKUBFRHKNOPMNS-QGZVFWFLSA-N -1 3 357.458 3.031 20 0 FGADHM COC(=O)[C@H](NCCCCC1CCCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000821642730 606309466 /nfs/dbraw/zinc/30/94/66/606309466.db2.gz OKUBFRHKNOPMNS-QGZVFWFLSA-N -1 3 357.458 3.031 20 0 FGADHM C[C@@H](NC(=O)CSc1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)cc1 ZINC000820335321 606323741 /nfs/dbraw/zinc/32/37/41/606323741.db2.gz WDBYHSFYTQVFSR-LLVKDONJSA-N -1 3 373.869 3.490 20 0 FGADHM C[C@@H](NC(=O)CSc1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)cc1 ZINC000820335321 606323743 /nfs/dbraw/zinc/32/37/43/606323743.db2.gz WDBYHSFYTQVFSR-LLVKDONJSA-N -1 3 373.869 3.490 20 0 FGADHM Fc1ccc(-c2noc(CSc3cccc(-c4nnn[n-]4)c3)n2)cc1 ZINC000822761175 606328148 /nfs/dbraw/zinc/32/81/48/606328148.db2.gz AVKQLCWDBLHXFW-UHFFFAOYSA-N -1 3 354.370 3.348 20 0 FGADHM Fc1ccc(-c2noc(CSc3cccc(-c4nn[n-]n4)c3)n2)cc1 ZINC000822761175 606328150 /nfs/dbraw/zinc/32/81/50/606328150.db2.gz AVKQLCWDBLHXFW-UHFFFAOYSA-N -1 3 354.370 3.348 20 0 FGADHM CCOc1ccccc1NC(=O)[C@@H](C)Sc1cccc(-c2nnn[n-]2)c1 ZINC000821436840 606328299 /nfs/dbraw/zinc/32/82/99/606328299.db2.gz GGDGMMJVHBBXFM-GFCCVEGCSA-N -1 3 369.450 3.385 20 0 FGADHM CCOc1ccccc1NC(=O)[C@@H](C)Sc1cccc(-c2nn[n-]n2)c1 ZINC000821436840 606328301 /nfs/dbraw/zinc/32/83/01/606328301.db2.gz GGDGMMJVHBBXFM-GFCCVEGCSA-N -1 3 369.450 3.385 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1c(F)c(F)cc(F)c1F ZINC000823309027 606336955 /nfs/dbraw/zinc/33/69/55/606336955.db2.gz PSHWSKFYYDQWBM-UHFFFAOYSA-N -1 3 371.681 3.329 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1c(F)c(F)cc(F)c1F ZINC000823309027 606336957 /nfs/dbraw/zinc/33/69/57/606336957.db2.gz PSHWSKFYYDQWBM-UHFFFAOYSA-N -1 3 371.681 3.329 20 0 FGADHM C[C@H](OC(=O)Cc1c[nH]c2cc(F)ccc12)c1ccc(-c2nnn[n-]2)cc1 ZINC000820494921 606347669 /nfs/dbraw/zinc/34/76/69/606347669.db2.gz CZWYLRNPXGXLQP-NSHDSACASA-N -1 3 365.368 3.334 20 0 FGADHM C[C@H](OC(=O)Cc1c[nH]c2cc(F)ccc12)c1ccc(-c2nn[n-]n2)cc1 ZINC000820494921 606347671 /nfs/dbraw/zinc/34/76/71/606347671.db2.gz CZWYLRNPXGXLQP-NSHDSACASA-N -1 3 365.368 3.334 20 0 FGADHM CN(CCCCc1ccccc1)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000821599118 606347873 /nfs/dbraw/zinc/34/78/73/606347873.db2.gz GLDUBTXVSYJBAL-UHFFFAOYSA-N -1 3 368.416 3.492 20 0 FGADHM CN(CCCCc1ccccc1)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000821599118 606347874 /nfs/dbraw/zinc/34/78/74/606347874.db2.gz GLDUBTXVSYJBAL-UHFFFAOYSA-N -1 3 368.416 3.492 20 0 FGADHM COc1ccc(Cl)cc1CC(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821824043 606348009 /nfs/dbraw/zinc/34/80/09/606348009.db2.gz FSWFNQJASLGEJN-LLVKDONJSA-N -1 3 372.812 3.376 20 0 FGADHM COc1ccc(Cl)cc1CC(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821824043 606348010 /nfs/dbraw/zinc/34/80/10/606348010.db2.gz FSWFNQJASLGEJN-LLVKDONJSA-N -1 3 372.812 3.376 20 0 FGADHM CCO[C@@H](C)c1ncc(C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000821346611 606348160 /nfs/dbraw/zinc/34/81/60/606348160.db2.gz MVPCVGPORQBPNW-QWRGUYRKSA-N -1 3 373.438 3.339 20 0 FGADHM CCO[C@@H](C)c1ncc(C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000821346611 606348162 /nfs/dbraw/zinc/34/81/62/606348162.db2.gz MVPCVGPORQBPNW-QWRGUYRKSA-N -1 3 373.438 3.339 20 0 FGADHM COc1cccc([C@H](C)C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821859151 606351637 /nfs/dbraw/zinc/35/16/37/606351637.db2.gz LRDPKBGBXSVIOL-QWHCGFSZSA-N -1 3 352.394 3.283 20 0 FGADHM COc1cccc([C@H](C)C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821859151 606351639 /nfs/dbraw/zinc/35/16/39/606351639.db2.gz LRDPKBGBXSVIOL-QWHCGFSZSA-N -1 3 352.394 3.283 20 0 FGADHM CC[C@H](C(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1)c1c(C)noc1C ZINC000820842148 606359867 /nfs/dbraw/zinc/35/98/67/606359867.db2.gz KLTFEHOILYMDTC-ABAIWWIYSA-N -1 3 355.398 3.270 20 0 FGADHM CC[C@H](C(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1)c1c(C)noc1C ZINC000820842148 606359868 /nfs/dbraw/zinc/35/98/68/606359868.db2.gz KLTFEHOILYMDTC-ABAIWWIYSA-N -1 3 355.398 3.270 20 0 FGADHM O=C(CCc1ccc(Br)cc1)Nc1ccccc1-c1nnn[n-]1 ZINC000822978617 606373393 /nfs/dbraw/zinc/37/33/93/606373393.db2.gz OAUCGSXLSOHASF-UHFFFAOYSA-N -1 3 372.226 3.201 20 0 FGADHM O=C(CCc1ccc(Br)cc1)Nc1ccccc1-c1nn[n-]n1 ZINC000822978617 606373394 /nfs/dbraw/zinc/37/33/94/606373394.db2.gz OAUCGSXLSOHASF-UHFFFAOYSA-N -1 3 372.226 3.201 20 0 FGADHM Cc1cc(C(=O)OCc2cn3ccccc3c2-c2nnn[n-]2)c(F)cc1F ZINC000822182844 606381145 /nfs/dbraw/zinc/38/11/45/606381145.db2.gz AOJPIMGLYMTTTE-UHFFFAOYSA-N -1 3 369.331 3.063 20 0 FGADHM Cc1cc(C(=O)OCc2cn3ccccc3c2-c2nn[n-]n2)c(F)cc1F ZINC000822182844 606381146 /nfs/dbraw/zinc/38/11/46/606381146.db2.gz AOJPIMGLYMTTTE-UHFFFAOYSA-N -1 3 369.331 3.063 20 0 FGADHM COc1cccc(C(C)=CC(=O)OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000821858002 606391422 /nfs/dbraw/zinc/39/14/22/606391422.db2.gz CESGGJCNBMBYKD-UKTHLTGXSA-N -1 3 350.378 3.022 20 0 FGADHM COc1cccc(C(C)=CC(=O)OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000821858002 606391424 /nfs/dbraw/zinc/39/14/24/606391424.db2.gz CESGGJCNBMBYKD-UKTHLTGXSA-N -1 3 350.378 3.022 20 0 FGADHM CC(C)CN1C(=O)c2ccccc2N[C@@H]1c1ccc(-c2nnn[n-]2)s1 ZINC000820092048 606393504 /nfs/dbraw/zinc/39/35/04/606393504.db2.gz FWQULOKETMVYAP-INIZCTEOSA-N -1 3 354.439 3.151 20 0 FGADHM CC(C)[C@@H](CCc1ccccc1)OC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000820021232 606407082 /nfs/dbraw/zinc/40/70/82/606407082.db2.gz RANIXOVBECFESK-QGZVFWFLSA-N -1 3 353.426 3.019 20 0 FGADHM CC(C)[C@@H](CCc1ccccc1)OC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000820021232 606407084 /nfs/dbraw/zinc/40/70/84/606407084.db2.gz RANIXOVBECFESK-QGZVFWFLSA-N -1 3 353.426 3.019 20 0 FGADHM O=C(OC1(C2CC2)CC1)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000823393580 606411563 /nfs/dbraw/zinc/41/15/63/606411563.db2.gz ZUGUWRYXIJUCMK-UHFFFAOYSA-N -1 3 366.377 3.138 20 0 FGADHM O=C(OC1(C2CC2)CC1)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000823393580 606411565 /nfs/dbraw/zinc/41/15/65/606411565.db2.gz ZUGUWRYXIJUCMK-UHFFFAOYSA-N -1 3 366.377 3.138 20 0 FGADHM COc1ccc([C@H](C)Nc2c(-c3nnn[n-]3)cnc3ccccc32)cc1F ZINC000821777659 606422961 /nfs/dbraw/zinc/42/29/61/606422961.db2.gz KNVFSUCKPJYUOV-NSHDSACASA-N -1 3 364.384 3.158 20 0 FGADHM COc1ccc([C@H](C)Nc2c(-c3nn[n-]n3)cnc3ccccc32)cc1F ZINC000821777659 606422962 /nfs/dbraw/zinc/42/29/62/606422962.db2.gz KNVFSUCKPJYUOV-NSHDSACASA-N -1 3 364.384 3.158 20 0 FGADHM CCOCCOCc1cccc(NCc2ccc(-c3nnn[n-]3)s2)c1C ZINC000821383963 606425596 /nfs/dbraw/zinc/42/55/96/606425596.db2.gz NILNUDSFWNENPC-UHFFFAOYSA-N -1 3 373.482 3.402 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N(CC(F)F)c1ccccc1 ZINC000822928071 606431134 /nfs/dbraw/zinc/43/11/34/606431134.db2.gz DFVJHUXWLNHDDS-KHPPLWFESA-N -1 3 355.348 3.178 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N(CC(F)F)c1ccccc1 ZINC000822928071 606431137 /nfs/dbraw/zinc/43/11/37/606431137.db2.gz DFVJHUXWLNHDDS-KHPPLWFESA-N -1 3 355.348 3.178 20 0 FGADHM CC(C)(C)OC(=O)NCc1cccc(Oc2ncccc2-c2nnn[n-]2)c1 ZINC000819939353 606431344 /nfs/dbraw/zinc/43/13/44/606431344.db2.gz AALSBNPOSYQGSE-UHFFFAOYSA-N -1 3 368.397 3.079 20 0 FGADHM Cc1ccc(Nc2ncccc2-c2nnn[n-]2)cc1OCC1CCOCC1 ZINC000822259249 606432977 /nfs/dbraw/zinc/43/29/77/606432977.db2.gz QTBXSJUYZLKMKB-UHFFFAOYSA-N -1 3 366.425 3.119 20 0 FGADHM Cc1ccc(Nc2ncccc2-c2nn[n-]n2)cc1OCC1CCOCC1 ZINC000822259249 606432979 /nfs/dbraw/zinc/43/29/79/606432979.db2.gz QTBXSJUYZLKMKB-UHFFFAOYSA-N -1 3 366.425 3.119 20 0 FGADHM Cc1cc([C@@H](C)NC(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)ccc1F ZINC000822191753 606440670 /nfs/dbraw/zinc/44/06/70/606440670.db2.gz PPWMISNIFYXBMV-CHWSQXEVSA-N -1 3 368.416 3.436 20 0 FGADHM Cc1cc([C@@H](C)NC(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)ccc1F ZINC000822191753 606440672 /nfs/dbraw/zinc/44/06/72/606440672.db2.gz PPWMISNIFYXBMV-CHWSQXEVSA-N -1 3 368.416 3.436 20 0 FGADHM Cc1cc([C@H](C)NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)ccc1F ZINC000822191463 606450024 /nfs/dbraw/zinc/45/00/24/606450024.db2.gz JMAPMDDHMQBESV-LBPRGKRZSA-N -1 3 371.441 3.284 20 0 FGADHM Cc1cc([C@H](C)NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)ccc1F ZINC000822191463 606450026 /nfs/dbraw/zinc/45/00/26/606450026.db2.gz JMAPMDDHMQBESV-LBPRGKRZSA-N -1 3 371.441 3.284 20 0 FGADHM COC(=O)c1cc(Cl)cc(NCc2cc(-c3nnn[n-]3)ccc2F)c1 ZINC000821668002 606460701 /nfs/dbraw/zinc/46/07/01/606460701.db2.gz KNIJLTYTVYFBHL-UHFFFAOYSA-N -1 3 361.764 3.058 20 0 FGADHM COC(=O)c1cc(Cl)cc(NCc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC000821668002 606460702 /nfs/dbraw/zinc/46/07/02/606460702.db2.gz KNIJLTYTVYFBHL-UHFFFAOYSA-N -1 3 361.764 3.058 20 0 FGADHM CN(CCc1ccncc1)c1c(-c2nnn[n-]2)cnc2ccc(Cl)cc21 ZINC000821607330 606462762 /nfs/dbraw/zinc/46/27/62/606462762.db2.gz KDFGFWHHUKOVQJ-UHFFFAOYSA-N -1 3 365.828 3.142 20 0 FGADHM CN(CCc1ccncc1)c1c(-c2nn[n-]n2)cnc2ccc(Cl)cc21 ZINC000821607330 606462764 /nfs/dbraw/zinc/46/27/64/606462764.db2.gz KDFGFWHHUKOVQJ-UHFFFAOYSA-N -1 3 365.828 3.142 20 0 FGADHM O=C(Oc1ccc(OC(F)(F)F)cc1)c1cc(-c2nnn[n-]2)cs1 ZINC000823454760 606469542 /nfs/dbraw/zinc/46/95/42/606469542.db2.gz SZKXNOXCFSKIGC-UHFFFAOYSA-N -1 3 356.285 3.046 20 0 FGADHM O=C(Oc1ccc(OC(F)(F)F)cc1)c1cc(-c2nn[n-]n2)cs1 ZINC000823454760 606469543 /nfs/dbraw/zinc/46/95/43/606469543.db2.gz SZKXNOXCFSKIGC-UHFFFAOYSA-N -1 3 356.285 3.046 20 0 FGADHM FC(F)(F)CCN(CC1CC1)C(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000822714544 606470715 /nfs/dbraw/zinc/47/07/15/606470715.db2.gz OUFBZZNUMAEGDF-UHFFFAOYSA-N -1 3 370.404 3.228 20 0 FGADHM FC(F)(F)CCN(CC1CC1)C(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000822714544 606470717 /nfs/dbraw/zinc/47/07/17/606470717.db2.gz OUFBZZNUMAEGDF-UHFFFAOYSA-N -1 3 370.404 3.228 20 0 FGADHM Cc1ccc(NC(=O)c2cc(-c3nnn[n-]3)cs2)cc1Br ZINC000822255151 606489374 /nfs/dbraw/zinc/48/93/74/606489374.db2.gz WZTZWRNLETXCPA-UHFFFAOYSA-N -1 3 364.228 3.251 20 0 FGADHM Cc1ccc(NC(=O)c2cc(-c3nn[n-]n3)cs2)cc1Br ZINC000822255151 606489376 /nfs/dbraw/zinc/48/93/76/606489376.db2.gz WZTZWRNLETXCPA-UHFFFAOYSA-N -1 3 364.228 3.251 20 0 FGADHM O=C(NC1CCC(c2ccccc2)CC1)c1cc(-c2nnn[n-]2)cs1 ZINC000823144192 606491410 /nfs/dbraw/zinc/49/14/10/606491410.db2.gz CPWPYANXFZPIBO-UHFFFAOYSA-N -1 3 353.451 3.384 20 0 FGADHM O=C(NC1CCC(c2ccccc2)CC1)c1cc(-c2nn[n-]n2)cs1 ZINC000823144192 606491411 /nfs/dbraw/zinc/49/14/11/606491411.db2.gz CPWPYANXFZPIBO-UHFFFAOYSA-N -1 3 353.451 3.384 20 0 FGADHM O=C(c1cc(-c2nnn[n-]2)cs1)N(C1CC1)[C@@H]1CCc2ccccc21 ZINC000823465838 606496762 /nfs/dbraw/zinc/49/67/62/606496762.db2.gz AUCPIBFNTQOBEN-OAHLLOKOSA-N -1 3 351.435 3.220 20 0 FGADHM O=C(c1cc(-c2nn[n-]n2)cs1)N(C1CC1)[C@@H]1CCc2ccccc21 ZINC000823465838 606496764 /nfs/dbraw/zinc/49/67/64/606496764.db2.gz AUCPIBFNTQOBEN-OAHLLOKOSA-N -1 3 351.435 3.220 20 0 FGADHM CCN(C(=O)Cc1cccc(-c2nnn[n-]2)c1)[C@@H](C)c1cccc(OC)c1 ZINC000821154843 606505529 /nfs/dbraw/zinc/50/55/29/606505529.db2.gz SXOQANRPPOHLPU-AWEZNQCLSA-N -1 3 365.437 3.028 20 0 FGADHM CCN(C(=O)Cc1cccc(-c2nn[n-]n2)c1)[C@@H](C)c1cccc(OC)c1 ZINC000821154843 606505530 /nfs/dbraw/zinc/50/55/30/606505530.db2.gz SXOQANRPPOHLPU-AWEZNQCLSA-N -1 3 365.437 3.028 20 0 FGADHM CCc1nc(C)c([C@H](C)N(C)C(=O)c2cc(-c3nnn[n-]3)cs2)s1 ZINC000821505521 606516428 /nfs/dbraw/zinc/51/64/28/606516428.db2.gz SEWHOYWZQBOLRO-VIFPVBQESA-N -1 3 362.484 3.089 20 0 FGADHM CCc1nc(C)c([C@H](C)N(C)C(=O)c2cc(-c3nn[n-]n3)cs2)s1 ZINC000821505521 606516429 /nfs/dbraw/zinc/51/64/29/606516429.db2.gz SEWHOYWZQBOLRO-VIFPVBQESA-N -1 3 362.484 3.089 20 0 FGADHM CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820020980 606520139 /nfs/dbraw/zinc/52/01/39/606520139.db2.gz NSJFYGOMXCWIGQ-CQSZACIVSA-N -1 3 359.430 3.064 20 0 FGADHM CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820020980 606520140 /nfs/dbraw/zinc/52/01/40/606520140.db2.gz NSJFYGOMXCWIGQ-CQSZACIVSA-N -1 3 359.430 3.064 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C/C=C/c1cccc(F)c1 ZINC000821406417 606532576 /nfs/dbraw/zinc/53/25/76/606532576.db2.gz DJTHDRRYULOQRZ-GQCTYLIASA-N -1 3 367.384 3.447 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C/C=C/c1cccc(F)c1 ZINC000821406417 606532578 /nfs/dbraw/zinc/53/25/78/606532578.db2.gz DJTHDRRYULOQRZ-GQCTYLIASA-N -1 3 367.384 3.447 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000823103245 606536827 /nfs/dbraw/zinc/53/68/27/606536827.db2.gz BFTBNVOSPVRDKN-UHFFFAOYSA-N -1 3 365.290 3.206 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000823103245 606536829 /nfs/dbraw/zinc/53/68/29/606536829.db2.gz BFTBNVOSPVRDKN-UHFFFAOYSA-N -1 3 365.290 3.206 20 0 FGADHM CC(C)(C)C(=O)c1ccc(NC(=O)c2cc(-c3nnn[n-]3)cs2)cc1 ZINC000819898257 606537846 /nfs/dbraw/zinc/53/78/46/606537846.db2.gz DJTCYBUSMZAXJY-UHFFFAOYSA-N -1 3 355.423 3.409 20 0 FGADHM CC(C)(C)C(=O)c1ccc(NC(=O)c2cc(-c3nn[n-]n3)cs2)cc1 ZINC000819898257 606537847 /nfs/dbraw/zinc/53/78/47/606537847.db2.gz DJTCYBUSMZAXJY-UHFFFAOYSA-N -1 3 355.423 3.409 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N(C1CC1)[C@@H]1CCc2ccccc21 ZINC000823087178 606538383 /nfs/dbraw/zinc/53/83/83/606538383.db2.gz JGARDOJUBWBDOD-LJQANCHMSA-N -1 3 359.433 3.088 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N(C1CC1)[C@@H]1CCc2ccccc21 ZINC000823087178 606538386 /nfs/dbraw/zinc/53/83/86/606538386.db2.gz JGARDOJUBWBDOD-LJQANCHMSA-N -1 3 359.433 3.088 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1ccc(Oc2ccncc2)cc1 ZINC000823104123 606541833 /nfs/dbraw/zinc/54/18/33/606541833.db2.gz RWLJCKPMPMLNOA-UHFFFAOYSA-N -1 3 372.388 3.235 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1ccc(Oc2ccncc2)cc1 ZINC000823104123 606541835 /nfs/dbraw/zinc/54/18/35/606541835.db2.gz RWLJCKPMPMLNOA-UHFFFAOYSA-N -1 3 372.388 3.235 20 0 FGADHM O=C(c1cc(-c2nnn[n-]2)cs1)N1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000823472388 606542258 /nfs/dbraw/zinc/54/22/58/606542258.db2.gz KNEITVWXSOTSFF-CYBMUJFWSA-N -1 3 361.377 3.184 20 0 FGADHM O=C(c1cc(-c2nn[n-]n2)cs1)N1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000823472388 606542260 /nfs/dbraw/zinc/54/22/60/606542260.db2.gz KNEITVWXSOTSFF-CYBMUJFWSA-N -1 3 361.377 3.184 20 0 FGADHM C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820728477 606545839 /nfs/dbraw/zinc/54/58/39/606545839.db2.gz WOWCFERZFVTFAO-PSLIRLAXSA-N -1 3 357.414 3.121 20 0 FGADHM C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820728477 606545841 /nfs/dbraw/zinc/54/58/41/606545841.db2.gz WOWCFERZFVTFAO-PSLIRLAXSA-N -1 3 357.414 3.121 20 0 FGADHM C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820728476 606545982 /nfs/dbraw/zinc/54/59/82/606545982.db2.gz WOWCFERZFVTFAO-BJOHPYRUSA-N -1 3 357.414 3.121 20 0 FGADHM C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820728476 606545984 /nfs/dbraw/zinc/54/59/84/606545984.db2.gz WOWCFERZFVTFAO-BJOHPYRUSA-N -1 3 357.414 3.121 20 0 FGADHM Cc1ccc(-c2ccncc2)cc1NC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000822214294 606546161 /nfs/dbraw/zinc/54/61/61/606546161.db2.gz YURAJVVAKSSGIZ-UHFFFAOYSA-N -1 3 370.416 3.418 20 0 FGADHM Cc1ccc(-c2ccncc2)cc1NC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000822214294 606546163 /nfs/dbraw/zinc/54/61/63/606546163.db2.gz YURAJVVAKSSGIZ-UHFFFAOYSA-N -1 3 370.416 3.418 20 0 FGADHM C[C@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccc(F)cc1F ZINC000822000239 606548783 /nfs/dbraw/zinc/54/87/83/606548783.db2.gz CDRSEMRTNAXEBY-LAHYYIKRSA-N -1 3 355.348 3.036 20 0 FGADHM C[C@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC000822000239 606548785 /nfs/dbraw/zinc/54/87/85/606548785.db2.gz CDRSEMRTNAXEBY-LAHYYIKRSA-N -1 3 355.348 3.036 20 0 FGADHM Cc1oc(-c2ccccc2)nc1COC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000822535178 606564061 /nfs/dbraw/zinc/56/40/61/606564061.db2.gz ITOIASXMXDSSRK-UHFFFAOYSA-N -1 3 367.390 3.249 20 0 FGADHM Cc1oc(-c2ccccc2)nc1COC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000822535178 606564062 /nfs/dbraw/zinc/56/40/62/606564062.db2.gz ITOIASXMXDSSRK-UHFFFAOYSA-N -1 3 367.390 3.249 20 0 FGADHM C[C@H](NC(=O)Nc1ccc(F)cc1-c1nnn[n-]1)c1ccc(F)cc1F ZINC000822000323 606580118 /nfs/dbraw/zinc/58/01/18/606580118.db2.gz HTPYVSUYZZLJMC-QMMMGPOBSA-N -1 3 362.315 3.167 20 0 FGADHM C[C@H](NC(=O)Nc1ccc(F)cc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC000822000323 606580120 /nfs/dbraw/zinc/58/01/20/606580120.db2.gz HTPYVSUYZZLJMC-QMMMGPOBSA-N -1 3 362.315 3.167 20 0 FGADHM CN(C)C(=O)Sc1cccc(CSc2cc(-c3nnn[n-]3)ccn2)c1 ZINC000821578223 606590832 /nfs/dbraw/zinc/59/08/32/606590832.db2.gz UAVVRZRSUHZVKD-UHFFFAOYSA-N -1 3 372.479 3.328 20 0 FGADHM CN(C)C(=O)Sc1cccc(CSc2cc(-c3nn[n-]n3)ccn2)c1 ZINC000821578223 606590834 /nfs/dbraw/zinc/59/08/34/606590834.db2.gz UAVVRZRSUHZVKD-UHFFFAOYSA-N -1 3 372.479 3.328 20 0 FGADHM CC(=O)c1cccc(NCc2ccc(-c3nnn[n-]3)cc2OC(F)F)c1 ZINC000819845412 606596250 /nfs/dbraw/zinc/59/62/50/606596250.db2.gz UFXDVAOKSQRDPM-UHFFFAOYSA-N -1 3 359.336 3.283 20 0 FGADHM CC(=O)c1cccc(NCc2ccc(-c3nn[n-]n3)cc2OC(F)F)c1 ZINC000819845412 606596252 /nfs/dbraw/zinc/59/62/52/606596252.db2.gz UFXDVAOKSQRDPM-UHFFFAOYSA-N -1 3 359.336 3.283 20 0 FGADHM CN(C)C(=O)Sc1cccc(CNc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000821578342 606596378 /nfs/dbraw/zinc/59/63/78/606596378.db2.gz ZDPQCXVZWIORRZ-UHFFFAOYSA-N -1 3 372.429 3.392 20 0 FGADHM CN(C)C(=O)Sc1cccc(CNc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000821578342 606596379 /nfs/dbraw/zinc/59/63/79/606596379.db2.gz ZDPQCXVZWIORRZ-UHFFFAOYSA-N -1 3 372.429 3.392 20 0 FGADHM FC(F)Oc1cc(-c2nnn[n-]2)ccc1CSC[C@@H]1CCCCO1 ZINC000822733133 606599152 /nfs/dbraw/zinc/59/91/52/606599152.db2.gz QWWCNGQBQPFFHK-LBPRGKRZSA-N -1 3 356.398 3.270 20 0 FGADHM FC(F)Oc1cc(-c2nn[n-]n2)ccc1CSC[C@@H]1CCCCO1 ZINC000822733133 606599154 /nfs/dbraw/zinc/59/91/54/606599154.db2.gz QWWCNGQBQPFFHK-LBPRGKRZSA-N -1 3 356.398 3.270 20 0 FGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)c1cc2cccc(Cl)c2o1 ZINC000753297485 606601483 /nfs/dbraw/zinc/60/14/83/606601483.db2.gz IUBIOCYPSFVDTC-UHFFFAOYSA-N -1 3 353.769 3.196 20 0 FGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)c1cc2cccc(Cl)c2o1 ZINC000753297485 606601485 /nfs/dbraw/zinc/60/14/85/606601485.db2.gz IUBIOCYPSFVDTC-UHFFFAOYSA-N -1 3 353.769 3.196 20 0 FGADHM C[C@H]1CC(=O)c2c1c(F)ccc2OCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000820641379 606606155 /nfs/dbraw/zinc/60/61/55/606606155.db2.gz BZLYHQQBBWOIDN-NSHDSACASA-N -1 3 368.368 3.154 20 0 FGADHM COc1cccc([C@@H](C)CC(=O)OCc2ccccc2-c2nnn[n-]2)c1 ZINC000821859253 606613085 /nfs/dbraw/zinc/61/30/85/606613085.db2.gz MZJNUQNDLFXTIB-ZDUSSCGKSA-N -1 3 352.394 3.112 20 0 FGADHM COc1cccc([C@@H](C)CC(=O)OCc2ccccc2-c2nn[n-]n2)c1 ZINC000821859253 606613086 /nfs/dbraw/zinc/61/30/86/606613086.db2.gz MZJNUQNDLFXTIB-ZDUSSCGKSA-N -1 3 352.394 3.112 20 0 FGADHM CCCCNC(=O)[C@H](C)Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821065445 606614510 /nfs/dbraw/zinc/61/45/10/606614510.db2.gz IJXFVYCZSIUFFJ-AWEZNQCLSA-N -1 3 365.437 3.217 20 0 FGADHM CCCCNC(=O)[C@H](C)Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821065445 606614511 /nfs/dbraw/zinc/61/45/11/606614511.db2.gz IJXFVYCZSIUFFJ-AWEZNQCLSA-N -1 3 365.437 3.217 20 0 FGADHM Cc1ccc(/C=C/CC(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000822233259 606622694 /nfs/dbraw/zinc/62/26/94/606622694.db2.gz LJJWQJZODHZYMV-ONEGZZNKSA-N -1 3 351.385 3.381 20 0 FGADHM Cc1ccc(/C=C/CC(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000822233259 606622695 /nfs/dbraw/zinc/62/26/95/606622695.db2.gz LJJWQJZODHZYMV-ONEGZZNKSA-N -1 3 351.385 3.381 20 0 FGADHM CCc1ccc(C(C)(C)C(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821477134 606626398 /nfs/dbraw/zinc/62/63/98/606626398.db2.gz ZYZVZGOLIHZPOE-UHFFFAOYSA-N -1 3 363.465 3.365 20 0 FGADHM CCc1ccc(C(C)(C)C(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821477134 606626400 /nfs/dbraw/zinc/62/64/00/606626400.db2.gz ZYZVZGOLIHZPOE-UHFFFAOYSA-N -1 3 363.465 3.365 20 0 FGADHM O=Cc1ccc(C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)cc2)[nH]1 ZINC000823557655 606629450 /nfs/dbraw/zinc/62/94/50/606629450.db2.gz NZUOCIBLNKJXAV-UHFFFAOYSA-N -1 3 374.360 3.052 20 0 FGADHM O=Cc1ccc(C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)cc2)[nH]1 ZINC000823557655 606629451 /nfs/dbraw/zinc/62/94/51/606629451.db2.gz NZUOCIBLNKJXAV-UHFFFAOYSA-N -1 3 374.360 3.052 20 0 FGADHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1N1CCO[C@@H](c2ccco2)C1 ZINC000822718897 606633694 /nfs/dbraw/zinc/63/36/94/606633694.db2.gz SWHFXCLQWNOHAN-CQSZACIVSA-N -1 3 365.315 3.056 20 0 FGADHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1NC[C@@H]1CSCCS1 ZINC000822718478 606637670 /nfs/dbraw/zinc/63/76/70/606637670.db2.gz JONLZNFFSTWZCP-SECBINFHSA-N -1 3 361.418 3.146 20 0 FGADHM Fc1cc(F)c(NCc2ccc(-c3nnn[n-]3)cc2OC(F)F)c(F)c1 ZINC000822753959 606656851 /nfs/dbraw/zinc/65/68/51/606656851.db2.gz TZTTVCXDUIYHNO-UHFFFAOYSA-N -1 3 371.269 3.498 20 0 FGADHM Fc1cc(F)c(NCc2ccc(-c3nn[n-]n3)cc2OC(F)F)c(F)c1 ZINC000822753959 606656852 /nfs/dbraw/zinc/65/68/52/606656852.db2.gz TZTTVCXDUIYHNO-UHFFFAOYSA-N -1 3 371.269 3.498 20 0 FGADHM O[C@H]1CCCC[C@H]1Oc1ccc(NCc2cc(-c3nnn[n-]3)cs2)cc1 ZINC000823704441 606657555 /nfs/dbraw/zinc/65/75/55/606657555.db2.gz AQQYBLFLWWZICR-DLBZAZTESA-N -1 3 371.466 3.223 20 0 FGADHM O[C@H]1CCCC[C@H]1Oc1ccc(NCc2cc(-c3nn[n-]n3)cs2)cc1 ZINC000823704441 606657556 /nfs/dbraw/zinc/65/75/56/606657556.db2.gz AQQYBLFLWWZICR-DLBZAZTESA-N -1 3 371.466 3.223 20 0 FGADHM C[C@@H](c1ccco1)N(C(=O)NCc1cc(-c2nnn[n-]2)ccc1F)C1CC1 ZINC000820571027 606658007 /nfs/dbraw/zinc/65/80/07/606658007.db2.gz UTHREOBUWGWVQL-NSHDSACASA-N -1 3 370.388 3.034 20 0 FGADHM C[C@@H](c1ccco1)N(C(=O)NCc1cc(-c2nn[n-]n2)ccc1F)C1CC1 ZINC000820571027 606658008 /nfs/dbraw/zinc/65/80/08/606658008.db2.gz UTHREOBUWGWVQL-NSHDSACASA-N -1 3 370.388 3.034 20 0 FGADHM CCN(C(=O)Cc1c(F)cccc1F)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821155438 606670285 /nfs/dbraw/zinc/67/02/85/606670285.db2.gz ZDZICWFYOGFMFP-LBPRGKRZSA-N -1 3 371.391 3.297 20 0 FGADHM CCN(C(=O)Cc1c(F)cccc1F)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821155438 606670286 /nfs/dbraw/zinc/67/02/86/606670286.db2.gz ZDZICWFYOGFMFP-LBPRGKRZSA-N -1 3 371.391 3.297 20 0 FGADHM CCN(C(=O)Cc1c(F)cccc1F)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821155436 606670501 /nfs/dbraw/zinc/67/05/01/606670501.db2.gz ZDZICWFYOGFMFP-GFCCVEGCSA-N -1 3 371.391 3.297 20 0 FGADHM CCN(C(=O)Cc1c(F)cccc1F)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821155436 606670502 /nfs/dbraw/zinc/67/05/02/606670502.db2.gz ZDZICWFYOGFMFP-GFCCVEGCSA-N -1 3 371.391 3.297 20 0 FGADHM COC[C@H](C)CC(=O)Nc1sc(-c2ccccc2)cc1-c1nnn[n-]1 ZINC000821681754 606672826 /nfs/dbraw/zinc/67/28/26/606672826.db2.gz QZQLMSPAZPICMN-LLVKDONJSA-N -1 3 357.439 3.206 20 0 FGADHM COC[C@H](C)CC(=O)Nc1sc(-c2ccccc2)cc1-c1nn[n-]n1 ZINC000821681754 606672827 /nfs/dbraw/zinc/67/28/27/606672827.db2.gz QZQLMSPAZPICMN-LLVKDONJSA-N -1 3 357.439 3.206 20 0 FGADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)[C@@H]2C[C@H]2Cc2ccccc2)s1 ZINC000821465834 606674232 /nfs/dbraw/zinc/67/42/32/606674232.db2.gz RBOOVEJVXUDZEV-TZMCWYRMSA-N -1 3 353.451 3.308 20 0 FGADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)[C@@H]2C[C@H]2Cc2ccccc2)s1 ZINC000821465834 606674233 /nfs/dbraw/zinc/67/42/33/606674233.db2.gz RBOOVEJVXUDZEV-TZMCWYRMSA-N -1 3 353.451 3.308 20 0 FGADHM Cc1cc(C)cc(C[C@H](C)NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c1 ZINC000822196601 606682678 /nfs/dbraw/zinc/68/26/78/606682678.db2.gz PNCIJKBFHBZFHW-LBPRGKRZSA-N -1 3 371.391 3.123 20 0 FGADHM Cc1cc(C)cc(C[C@H](C)NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c1 ZINC000822196601 606682679 /nfs/dbraw/zinc/68/26/79/606682679.db2.gz PNCIJKBFHBZFHW-LBPRGKRZSA-N -1 3 371.391 3.123 20 0 FGADHM Cc1cc(NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)ccc1OC(C)C ZINC000822208539 606682795 /nfs/dbraw/zinc/68/27/95/606682795.db2.gz WZOVPUNGYLSJHJ-UHFFFAOYSA-N -1 3 373.363 3.493 20 0 FGADHM Cc1cc(NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)ccc1OC(C)C ZINC000822208539 606682796 /nfs/dbraw/zinc/68/27/96/606682796.db2.gz WZOVPUNGYLSJHJ-UHFFFAOYSA-N -1 3 373.363 3.493 20 0 FGADHM C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820643445 606686553 /nfs/dbraw/zinc/68/65/53/606686553.db2.gz WRSAPSPEBOCYSE-FZMZJTMJSA-N -1 3 369.375 3.163 20 0 FGADHM C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820643445 606686554 /nfs/dbraw/zinc/68/65/54/606686554.db2.gz WRSAPSPEBOCYSE-FZMZJTMJSA-N -1 3 369.375 3.163 20 0 FGADHM Cc1ccc([C@@H](C)NC(=S)Nc2ccccc2-c2nnn[n-]2)cc1F ZINC000822229346 606695023 /nfs/dbraw/zinc/69/50/23/606695023.db2.gz RZYQTBGBWQAJGC-LLVKDONJSA-N -1 3 356.430 3.362 20 0 FGADHM Cc1ccc([C@@H](C)NC(=S)Nc2ccccc2-c2nn[n-]n2)cc1F ZINC000822229346 606695024 /nfs/dbraw/zinc/69/50/24/606695024.db2.gz RZYQTBGBWQAJGC-LLVKDONJSA-N -1 3 356.430 3.362 20 0 FGADHM CCOCCOc1cc(C)ccc1CNc1ccc(F)cc1-c1nnn[n-]1 ZINC000821383688 606724512 /nfs/dbraw/zinc/72/45/12/606724512.db2.gz HPSGSPGIVSXGKO-UHFFFAOYSA-N -1 3 371.416 3.342 20 0 FGADHM CCOCCOc1cc(C)ccc1CNc1ccc(F)cc1-c1nn[n-]n1 ZINC000821383688 606724513 /nfs/dbraw/zinc/72/45/13/606724513.db2.gz HPSGSPGIVSXGKO-UHFFFAOYSA-N -1 3 371.416 3.342 20 0 FGADHM C[C@@H](OC1CCCCCC1)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820519376 606734416 /nfs/dbraw/zinc/73/44/16/606734416.db2.gz SXGVNLAZGMLUPU-UONOGXRCSA-N -1 3 357.458 3.172 20 0 FGADHM C[C@@H](OC1CCCCCC1)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820519376 606734418 /nfs/dbraw/zinc/73/44/18/606734418.db2.gz SXGVNLAZGMLUPU-UONOGXRCSA-N -1 3 357.458 3.172 20 0 FGADHM C[C@@H](CSc1ccc(F)cc1)C(=O)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000820294421 606748848 /nfs/dbraw/zinc/74/88/48/606748848.db2.gz SHWUSDXJNVUBFI-LBPRGKRZSA-N -1 3 372.425 3.477 20 0 FGADHM C[C@@H](CSc1ccc(F)cc1)C(=O)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000820294421 606748850 /nfs/dbraw/zinc/74/88/50/606748850.db2.gz SHWUSDXJNVUBFI-LBPRGKRZSA-N -1 3 372.425 3.477 20 0 FGADHM O=C(CCCc1ccc(F)c(F)c1)OCc1cccc(-c2nnn[n-]2)c1 ZINC000822959105 606750018 /nfs/dbraw/zinc/75/00/18/606750018.db2.gz RSOMTPFFVKJQPD-UHFFFAOYSA-N -1 3 358.348 3.211 20 0 FGADHM O=C(CCCc1ccc(F)c(F)c1)OCc1cccc(-c2nn[n-]n2)c1 ZINC000822959105 606750020 /nfs/dbraw/zinc/75/00/20/606750020.db2.gz RSOMTPFFVKJQPD-UHFFFAOYSA-N -1 3 358.348 3.211 20 0 FGADHM COC(=O)c1ccc(COc2ccc(-c3nnn[n-]3)cc2Cl)cc1F ZINC000821669635 606793166 /nfs/dbraw/zinc/79/31/66/606793166.db2.gz VOQGXOSMNVJQRR-UHFFFAOYSA-N -1 3 362.748 3.025 20 0 FGADHM COC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2Cl)cc1F ZINC000821669635 606793169 /nfs/dbraw/zinc/79/31/69/606793169.db2.gz VOQGXOSMNVJQRR-UHFFFAOYSA-N -1 3 362.748 3.025 20 0 FGADHM CC(C)c1cccc(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)n1 ZINC000820192465 606800798 /nfs/dbraw/zinc/80/07/98/606800798.db2.gz OYPYLGATMTZHIU-UHFFFAOYSA-N -1 3 364.453 3.436 20 0 FGADHM CC(C)c1cccc(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)n1 ZINC000820192465 606800800 /nfs/dbraw/zinc/80/08/00/606800800.db2.gz OYPYLGATMTZHIU-UHFFFAOYSA-N -1 3 364.453 3.436 20 0 FGADHM CN(CCOCc1ccccc1)c1c(-c2nnn[n-]2)cnc2ccccc21 ZINC000821603797 606806768 /nfs/dbraw/zinc/80/67/68/606806768.db2.gz PGTWBUZZUWKYHH-UHFFFAOYSA-N -1 3 360.421 3.068 20 0 FGADHM CN(CCOCc1ccccc1)c1c(-c2nn[n-]n2)cnc2ccccc21 ZINC000821603797 606806769 /nfs/dbraw/zinc/80/67/69/606806769.db2.gz PGTWBUZZUWKYHH-UHFFFAOYSA-N -1 3 360.421 3.068 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)Nc1ccccc1OCC(F)F ZINC000822935792 606808306 /nfs/dbraw/zinc/80/83/06/606808306.db2.gz NNWSIUHHPFZDKO-MDZDMXLPSA-N -1 3 371.347 3.163 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)Nc1ccccc1OCC(F)F ZINC000822935792 606808307 /nfs/dbraw/zinc/80/83/07/606808307.db2.gz NNWSIUHHPFZDKO-MDZDMXLPSA-N -1 3 371.347 3.163 20 0 FGADHM COc1ccccc1N1CC[C@@H](Nc2c(Cl)cccc2-c2nnn[n-]2)C1 ZINC000821897640 606809241 /nfs/dbraw/zinc/80/92/41/606809241.db2.gz JJFKVCYBMVPNRF-GFCCVEGCSA-N -1 3 370.844 3.220 20 0 FGADHM COc1ccccc1N1CC[C@@H](Nc2c(Cl)cccc2-c2nn[n-]n2)C1 ZINC000821897640 606809242 /nfs/dbraw/zinc/80/92/42/606809242.db2.gz JJFKVCYBMVPNRF-GFCCVEGCSA-N -1 3 370.844 3.220 20 0 FGADHM CC(C)(C)[C@@H](NC(=O)CNc1cccc(-c2nnn[n-]2)c1)c1cccs1 ZINC000819898680 606826165 /nfs/dbraw/zinc/82/61/65/606826165.db2.gz HTKRRUYOVBAVGJ-INIZCTEOSA-N -1 3 370.482 3.244 20 0 FGADHM CC(C)(C)[C@@H](NC(=O)CNc1cccc(-c2nn[n-]n2)c1)c1cccs1 ZINC000819898680 606826168 /nfs/dbraw/zinc/82/61/68/606826168.db2.gz HTKRRUYOVBAVGJ-INIZCTEOSA-N -1 3 370.482 3.244 20 0 FGADHM CC[C@H]1CCC[C@H]1NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000820981771 606834603 /nfs/dbraw/zinc/83/46/03/606834603.db2.gz WXZYLTOIMNXNLA-GXSJLCMTSA-N -1 3 366.372 3.168 20 0 FGADHM CC[C@H]1CCC[C@H]1NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000820981771 606834605 /nfs/dbraw/zinc/83/46/05/606834605.db2.gz WXZYLTOIMNXNLA-GXSJLCMTSA-N -1 3 366.372 3.168 20 0 FGADHM c1cc2c(ncnc2SCCCOc2cccc(-c3nnn[n-]3)c2)s1 ZINC000823762166 606837127 /nfs/dbraw/zinc/83/71/27/606837127.db2.gz LAAAVSQXECJKKC-UHFFFAOYSA-N -1 3 370.463 3.433 20 0 FGADHM c1cc2c(ncnc2SCCCOc2cccc(-c3nn[n-]n3)c2)s1 ZINC000823762166 606837128 /nfs/dbraw/zinc/83/71/28/606837128.db2.gz LAAAVSQXECJKKC-UHFFFAOYSA-N -1 3 370.463 3.433 20 0 FGADHM CC(=O)c1ccc(OCCCOc2cccc(-c3nnn[n-]3)c2)cc1F ZINC000819833006 606838421 /nfs/dbraw/zinc/83/84/21/606838421.db2.gz DZCPGENANAFWLN-UHFFFAOYSA-N -1 3 356.357 3.056 20 0 FGADHM CC(=O)c1ccc(OCCCOc2cccc(-c3nn[n-]n3)c2)cc1F ZINC000819833006 606838422 /nfs/dbraw/zinc/83/84/22/606838422.db2.gz DZCPGENANAFWLN-UHFFFAOYSA-N -1 3 356.357 3.056 20 0 FGADHM C[C@@H](SCCCOc1cccc(-c2nnn[n-]2)c1)c1nc(C2CC2)no1 ZINC000820550812 606840601 /nfs/dbraw/zinc/84/06/01/606840601.db2.gz ZCGVMIDVEXJXLX-LLVKDONJSA-N -1 3 372.454 3.390 20 0 FGADHM C[C@@H](SCCCOc1cccc(-c2nn[n-]n2)c1)c1nc(C2CC2)no1 ZINC000820550812 606840602 /nfs/dbraw/zinc/84/06/02/606840602.db2.gz ZCGVMIDVEXJXLX-LLVKDONJSA-N -1 3 372.454 3.390 20 0 FGADHM CC[C@H]1CC[C@H](C(=O)Nc2sc(-c3ccccc3)cc2-c2nnn[n-]2)O1 ZINC000820973209 606847879 /nfs/dbraw/zinc/84/78/79/606847879.db2.gz VBIMQDKVPBPTBD-GXTWGEPZSA-N -1 3 369.450 3.491 20 0 FGADHM CC[C@H]1CC[C@H](C(=O)Nc2sc(-c3ccccc3)cc2-c2nn[n-]n2)O1 ZINC000820973209 606847881 /nfs/dbraw/zinc/84/78/81/606847881.db2.gz VBIMQDKVPBPTBD-GXTWGEPZSA-N -1 3 369.450 3.491 20 0 FGADHM CC(=O)Nc1cccc(NCCCOc2cccc(-c3nnn[n-]3)c2)c1C ZINC000819825958 606863264 /nfs/dbraw/zinc/86/32/64/606863264.db2.gz ADNVLMWZEHYZLA-UHFFFAOYSA-N -1 3 366.425 3.015 20 0 FGADHM CC(=O)Nc1cccc(NCCCOc2cccc(-c3nn[n-]n3)c2)c1C ZINC000819825958 606863267 /nfs/dbraw/zinc/86/32/67/606863267.db2.gz ADNVLMWZEHYZLA-UHFFFAOYSA-N -1 3 366.425 3.015 20 0 FGADHM CCC[C@@H]1CCCN(C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)C1 ZINC000821040815 606869145 /nfs/dbraw/zinc/86/91/45/606869145.db2.gz SLTHJJCVUFYPQU-CYBMUJFWSA-N -1 3 359.478 3.467 20 0 FGADHM CCC[C@@H]1CCCN(C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)C1 ZINC000821040815 606869146 /nfs/dbraw/zinc/86/91/46/606869146.db2.gz SLTHJJCVUFYPQU-CYBMUJFWSA-N -1 3 359.478 3.467 20 0 FGADHM CCS[C@@H]1CC[C@@H](N(C)C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000821449110 606871327 /nfs/dbraw/zinc/87/13/27/606871327.db2.gz QCEAFYIVGVVMCI-APHBMKBZSA-N -1 3 374.514 3.243 20 0 FGADHM CCS[C@@H]1CC[C@@H](N(C)C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000821449110 606871328 /nfs/dbraw/zinc/87/13/28/606871328.db2.gz QCEAFYIVGVVMCI-APHBMKBZSA-N -1 3 374.514 3.243 20 0 FGADHM CCN(C(=O)c1ccc(F)c(OC)c1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821160288 606871519 /nfs/dbraw/zinc/87/15/19/606871519.db2.gz ITWJTDVXTKKWPE-LBPRGKRZSA-N -1 3 369.400 3.238 20 0 FGADHM CCN(C(=O)c1ccc(F)c(OC)c1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821160288 606871521 /nfs/dbraw/zinc/87/15/21/606871521.db2.gz ITWJTDVXTKKWPE-LBPRGKRZSA-N -1 3 369.400 3.238 20 0 FGADHM C[C@@H]1CC[C@@H](C)N1C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820683822 606907249 /nfs/dbraw/zinc/90/72/49/606907249.db2.gz HSOUUIUDKVMMFQ-RKDXNWHRSA-N -1 3 354.336 3.290 20 0 FGADHM C[C@@H]1CC[C@@H](C)N1C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820683822 606907252 /nfs/dbraw/zinc/90/72/52/606907252.db2.gz HSOUUIUDKVMMFQ-RKDXNWHRSA-N -1 3 354.336 3.290 20 0 FGADHM C[C@H](OC(=O)COC/C=C\c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820495610 606920526 /nfs/dbraw/zinc/92/05/26/606920526.db2.gz INAPDSFVVLEDNO-AJHXJQRKSA-N -1 3 364.405 3.201 20 0 FGADHM C[C@H](OC(=O)COC/C=C\c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820495610 606920527 /nfs/dbraw/zinc/92/05/27/606920527.db2.gz INAPDSFVVLEDNO-AJHXJQRKSA-N -1 3 364.405 3.201 20 0 FGADHM CC(C)[C@@H](C)OC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000820015855 606925820 /nfs/dbraw/zinc/92/58/20/606925820.db2.gz HDTLBAFMCQGCCI-GFCCVEGCSA-N -1 3 353.382 3.255 20 0 FGADHM CC(C)[C@@H](C)OC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000820015855 606925822 /nfs/dbraw/zinc/92/58/22/606925822.db2.gz HDTLBAFMCQGCCI-GFCCVEGCSA-N -1 3 353.382 3.255 20 0 FGADHM CC(C)[C@@H](C)OC(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000820015895 606925971 /nfs/dbraw/zinc/92/59/71/606925971.db2.gz HXJSFHIZTGHZRV-GFCCVEGCSA-N -1 3 356.382 3.240 20 0 FGADHM CC(C)[C@@H](C)OC(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000820015895 606925970 /nfs/dbraw/zinc/92/59/70/606925970.db2.gz HXJSFHIZTGHZRV-GFCCVEGCSA-N -1 3 356.382 3.240 20 0 FGADHM Cc1cc(C(=O)NC(C)C)ccc1NCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822168773 606927443 /nfs/dbraw/zinc/92/74/43/606927443.db2.gz RTLHEMUHJMWSEK-UHFFFAOYSA-N -1 3 368.416 3.065 20 0 FGADHM Cc1cc(C(=O)NC(C)C)ccc1NCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822168773 606927444 /nfs/dbraw/zinc/92/74/44/606927444.db2.gz RTLHEMUHJMWSEK-UHFFFAOYSA-N -1 3 368.416 3.065 20 0 FGADHM Cc1nccc(-c2cccc(NCc3ccc(F)c(-c4nnn[n-]4)c3)c2)n1 ZINC000822472594 606928075 /nfs/dbraw/zinc/92/80/75/606928075.db2.gz VJOFJRZNMINADX-UHFFFAOYSA-N -1 3 361.384 3.383 20 0 FGADHM Cc1nccc(-c2cccc(NCc3ccc(F)c(-c4nn[n-]n4)c3)c2)n1 ZINC000822472594 606928076 /nfs/dbraw/zinc/92/80/76/606928076.db2.gz VJOFJRZNMINADX-UHFFFAOYSA-N -1 3 361.384 3.383 20 0 FGADHM Fc1ccc(CN[C@H](c2nccs2)c2ccccc2)cc1-c1nnn[n-]1 ZINC000822772250 606930195 /nfs/dbraw/zinc/93/01/95/606930195.db2.gz USMNQTJXBMOEOZ-INIZCTEOSA-N -1 3 366.425 3.342 20 0 FGADHM Fc1ccc(CN[C@H](c2nccs2)c2ccccc2)cc1-c1nn[n-]n1 ZINC000822772250 606930196 /nfs/dbraw/zinc/93/01/96/606930196.db2.gz USMNQTJXBMOEOZ-INIZCTEOSA-N -1 3 366.425 3.342 20 0 FGADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cc(F)cc(Cl)c1 ZINC000820526080 606936189 /nfs/dbraw/zinc/93/61/89/606936189.db2.gz IIGSRIRZGPTXQX-VIFPVBQESA-N -1 3 361.764 3.065 20 0 FGADHM CCc1nc2c(s1)[C@H](N(C)C(=O)c1sccc1-c1nnn[n-]1)CCC2 ZINC000821510364 606938738 /nfs/dbraw/zinc/93/87/38/606938738.db2.gz ZSSZUHNTYBGEKE-LLVKDONJSA-N -1 3 374.495 3.097 20 0 FGADHM CCc1nc2c(s1)[C@H](N(C)C(=O)c1sccc1-c1nn[n-]n1)CCC2 ZINC000821510364 606938739 /nfs/dbraw/zinc/93/87/39/606938739.db2.gz ZSSZUHNTYBGEKE-LLVKDONJSA-N -1 3 374.495 3.097 20 0 FGADHM CC(C)C[C@@H](CCO)CNc1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000820057295 606939285 /nfs/dbraw/zinc/93/92/85/606939285.db2.gz XQWJMASSNIAQTD-LLVKDONJSA-N -1 3 357.380 3.342 20 0 FGADHM CC(C)C[C@@H](CCO)CNc1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000820057295 606939287 /nfs/dbraw/zinc/93/92/87/606939287.db2.gz XQWJMASSNIAQTD-LLVKDONJSA-N -1 3 357.380 3.342 20 0 FGADHM CC(C)[C@H]1c2ccccc2CCN1C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820051022 606941185 /nfs/dbraw/zinc/94/11/85/606941185.db2.gz JCTBEXSQDYEJBY-INIZCTEOSA-N -1 3 353.451 3.324 20 0 FGADHM CC(C)[C@H]1c2ccccc2CCN1C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820051022 606941186 /nfs/dbraw/zinc/94/11/86/606941186.db2.gz JCTBEXSQDYEJBY-INIZCTEOSA-N -1 3 353.451 3.324 20 0 FGADHM COc1ccc(CNc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)c(F)c1 ZINC000821824055 606946786 /nfs/dbraw/zinc/94/67/86/606946786.db2.gz FXBWQTWLBHGRPC-UHFFFAOYSA-N -1 3 368.294 3.040 20 0 FGADHM COc1ccc(CNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)c(F)c1 ZINC000821824055 606946787 /nfs/dbraw/zinc/94/67/87/606946787.db2.gz FXBWQTWLBHGRPC-UHFFFAOYSA-N -1 3 368.294 3.040 20 0 FGADHM C[C@@H](C(=O)OCCCOc1cccc(-c2nnn[n-]2)c1)c1ccccc1F ZINC000819882610 606947763 /nfs/dbraw/zinc/94/77/63/606947763.db2.gz BWRDHBIKTGZHJB-CYBMUJFWSA-N -1 3 370.384 3.122 20 0 FGADHM C[C@@H](C(=O)OCCCOc1cccc(-c2nn[n-]n2)c1)c1ccccc1F ZINC000819882610 606947765 /nfs/dbraw/zinc/94/77/65/606947765.db2.gz BWRDHBIKTGZHJB-CYBMUJFWSA-N -1 3 370.384 3.122 20 0 FGADHM Cc1cc(F)c(C(=O)OCCCOc2cccc(-c3nnn[n-]3)c2)cc1F ZINC000822203064 606951267 /nfs/dbraw/zinc/95/12/67/606951267.db2.gz CEUDAFJFSWKIOC-UHFFFAOYSA-N -1 3 374.347 3.079 20 0 FGADHM Cc1cc(F)c(C(=O)OCCCOc2cccc(-c3nn[n-]n3)c2)cc1F ZINC000822203064 606951268 /nfs/dbraw/zinc/95/12/68/606951268.db2.gz CEUDAFJFSWKIOC-UHFFFAOYSA-N -1 3 374.347 3.079 20 0 FGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC2(CCC2)C1 ZINC000820151835 606952655 /nfs/dbraw/zinc/95/26/55/606952655.db2.gz OQHPMAIZBHXNDN-UHFFFAOYSA-N -1 3 356.430 3.062 20 0 FGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC2(CCC2)C1 ZINC000820151835 606952657 /nfs/dbraw/zinc/95/26/57/606952657.db2.gz OQHPMAIZBHXNDN-UHFFFAOYSA-N -1 3 356.430 3.062 20 0 FGADHM Cc1cccc([C@@H](C)OC(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737391191 606952732 /nfs/dbraw/zinc/95/27/32/606952732.db2.gz XJUWIUXSTVNYLW-ZIAGYGMSSA-N -1 3 352.394 3.247 20 0 FGADHM C[C@@H](Cc1ccccc1)C(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000820300358 606960263 /nfs/dbraw/zinc/96/02/63/606960263.db2.gz QIAYFHBWEDWMRY-LBPRGKRZSA-N -1 3 355.829 3.362 20 0 FGADHM C[C@@H](Cc1ccccc1)C(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000820300358 606960264 /nfs/dbraw/zinc/96/02/64/606960264.db2.gz QIAYFHBWEDWMRY-LBPRGKRZSA-N -1 3 355.829 3.362 20 0 FGADHM CN(C(=O)c1csc(-c2cccs2)n1)c1ccccc1-c1nnn[n-]1 ZINC000821574673 606971561 /nfs/dbraw/zinc/97/15/61/606971561.db2.gz RKSYOROIDQJIJE-UHFFFAOYSA-N -1 3 368.447 3.328 20 0 FGADHM CN(C(=O)c1csc(-c2cccs2)n1)c1ccccc1-c1nn[n-]n1 ZINC000821574673 606971563 /nfs/dbraw/zinc/97/15/63/606971563.db2.gz RKSYOROIDQJIJE-UHFFFAOYSA-N -1 3 368.447 3.328 20 0 FGADHM C[C@H](c1cccc(Cl)c1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000820563477 606979794 /nfs/dbraw/zinc/97/97/94/606979794.db2.gz RBNIYAVOFWVHFB-SECBINFHSA-N -1 3 366.805 3.194 20 0 FGADHM C[C@H](c1cccc(Cl)c1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000820563477 606979795 /nfs/dbraw/zinc/97/97/95/606979795.db2.gz RBNIYAVOFWVHFB-SECBINFHSA-N -1 3 366.805 3.194 20 0 FGADHM O=C(CCCOc1ccccc1F)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822958839 606997442 /nfs/dbraw/zinc/99/74/42/606997442.db2.gz JORWYTWRASISGF-UHFFFAOYSA-N -1 3 374.347 3.047 20 0 FGADHM O=C(CCCOc1ccccc1F)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822958839 606997443 /nfs/dbraw/zinc/99/74/43/606997443.db2.gz JORWYTWRASISGF-UHFFFAOYSA-N -1 3 374.347 3.047 20 0 FGADHM Fc1ccc(CSc2nncn2-c2ccccc2F)cc1-c1nnn[n-]1 ZINC000822774878 607007171 /nfs/dbraw/zinc/00/71/71/607007171.db2.gz QKVPIWRKYUCRCY-UHFFFAOYSA-N -1 3 371.376 3.018 20 0 FGADHM Fc1ccc(CSc2nncn2-c2ccccc2F)cc1-c1nn[n-]n1 ZINC000822774878 607007173 /nfs/dbraw/zinc/00/71/73/607007173.db2.gz QKVPIWRKYUCRCY-UHFFFAOYSA-N -1 3 371.376 3.018 20 0 FGADHM CCc1ccc([C@@H](C)NC(=O)CSc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821480468 607010176 /nfs/dbraw/zinc/01/01/76/607010176.db2.gz CNWAETVGSVNGPY-CYBMUJFWSA-N -1 3 367.478 3.399 20 0 FGADHM CCc1ccc([C@@H](C)NC(=O)CSc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821480468 607010178 /nfs/dbraw/zinc/01/01/78/607010178.db2.gz CNWAETVGSVNGPY-CYBMUJFWSA-N -1 3 367.478 3.399 20 0 FGADHM COc1ccc(C(=O)[C@@H](C)Sc2cccc(-c3nnn[n-]3)c2)c(OC)c1 ZINC000821769983 607012421 /nfs/dbraw/zinc/01/24/21/607012421.db2.gz MMMSWRDKTKUGGR-LLVKDONJSA-N -1 3 370.434 3.247 20 0 FGADHM COc1ccc(C(=O)[C@@H](C)Sc2cccc(-c3nn[n-]n3)c2)c(OC)c1 ZINC000821769983 607012422 /nfs/dbraw/zinc/01/24/22/607012422.db2.gz MMMSWRDKTKUGGR-LLVKDONJSA-N -1 3 370.434 3.247 20 0 FGADHM CC(C)[C@@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)N1CCC[C@@H](C)C1 ZINC000820706386 607013255 /nfs/dbraw/zinc/01/32/55/607013255.db2.gz ZKFIYEUZJWQFHC-CZUORRHYSA-N -1 3 359.499 3.242 20 0 FGADHM CC(C)[C@@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)N1CCC[C@@H](C)C1 ZINC000820706386 607013256 /nfs/dbraw/zinc/01/32/56/607013256.db2.gz ZKFIYEUZJWQFHC-CZUORRHYSA-N -1 3 359.499 3.242 20 0 FGADHM CC(C)(C)c1ccc(CC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000819958737 607023778 /nfs/dbraw/zinc/02/37/78/607023778.db2.gz PKKHOTZGLARYQS-UHFFFAOYSA-N -1 3 367.428 3.162 20 0 FGADHM CC(C)(C)c1ccc(CC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000819958737 607023780 /nfs/dbraw/zinc/02/37/80/607023780.db2.gz PKKHOTZGLARYQS-UHFFFAOYSA-N -1 3 367.428 3.162 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1OCC(=O)N[C@H](c1ccccc1)C(C)C ZINC000822221244 607029736 /nfs/dbraw/zinc/02/97/36/607029736.db2.gz HCLWLLVEHWNNGR-IBGZPJMESA-N -1 3 365.437 3.067 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1OCC(=O)N[C@H](c1ccccc1)C(C)C ZINC000822221244 607029737 /nfs/dbraw/zinc/02/97/37/607029737.db2.gz HCLWLLVEHWNNGR-IBGZPJMESA-N -1 3 365.437 3.067 20 0 FGADHM Cc1ccccc1Cc1noc(COc2cc(-c3nnn[n-]3)ccc2C)n1 ZINC000822361703 607030459 /nfs/dbraw/zinc/03/04/59/607030459.db2.gz HACWWAXSYBAUQN-UHFFFAOYSA-N -1 3 362.393 3.036 20 0 FGADHM Cc1ccccc1Cc1noc(COc2cc(-c3nn[n-]n3)ccc2C)n1 ZINC000822361703 607030461 /nfs/dbraw/zinc/03/04/61/607030461.db2.gz HACWWAXSYBAUQN-UHFFFAOYSA-N -1 3 362.393 3.036 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)C(F)(F)c1ccccc1 ZINC000821118477 607042802 /nfs/dbraw/zinc/04/28/02/607042802.db2.gz NTGFXHKQMZLMMA-UHFFFAOYSA-N -1 3 372.379 3.419 20 0 FGADHM Cc1ccccc1SCC(=O)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000822366658 607072516 /nfs/dbraw/zinc/07/25/16/607072516.db2.gz RJGBTCSWFJZCBC-UHFFFAOYSA-N -1 3 358.398 3.150 20 0 FGADHM Cc1ccccc1SCC(=O)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000822366658 607072517 /nfs/dbraw/zinc/07/25/17/607072517.db2.gz RJGBTCSWFJZCBC-UHFFFAOYSA-N -1 3 358.398 3.150 20 0 FGADHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)c1ccc(Cl)nc1Cl ZINC000823417554 607081500 /nfs/dbraw/zinc/08/15/00/607081500.db2.gz COMVANBODQNUMN-UHFFFAOYSA-N -1 3 368.155 3.065 20 0 FGADHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)c1ccc(Cl)nc1Cl ZINC000823417554 607081502 /nfs/dbraw/zinc/08/15/02/607081502.db2.gz COMVANBODQNUMN-UHFFFAOYSA-N -1 3 368.155 3.065 20 0 FGADHM O=C(CCCOc1cccc(F)c1)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000822958728 607081744 /nfs/dbraw/zinc/08/17/44/607081744.db2.gz DPLDOBPDMPABJV-UHFFFAOYSA-N -1 3 374.347 3.047 20 0 FGADHM O=C(CCCOc1cccc(F)c1)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000822958728 607081747 /nfs/dbraw/zinc/08/17/47/607081747.db2.gz DPLDOBPDMPABJV-UHFFFAOYSA-N -1 3 374.347 3.047 20 0 FGADHM C[C@H](CC(=O)OCc1cc(F)ccc1-c1nnn[n-]1)c1ccccc1F ZINC000820226599 607082123 /nfs/dbraw/zinc/08/21/23/607082123.db2.gz VYJMJTUWQCDBGU-LLVKDONJSA-N -1 3 358.348 3.382 20 0 FGADHM C[C@H](CC(=O)OCc1cc(F)ccc1-c1nn[n-]n1)c1ccccc1F ZINC000820226599 607082124 /nfs/dbraw/zinc/08/21/24/607082124.db2.gz VYJMJTUWQCDBGU-LLVKDONJSA-N -1 3 358.348 3.382 20 0 FGADHM CCC(=O)c1ccc(OC(=O)C=Cc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000820841888 607093760 /nfs/dbraw/zinc/09/37/60/607093760.db2.gz HBQIWORJQVWALL-NTMALXAHSA-N -1 3 366.352 3.217 20 0 FGADHM CCC(=O)c1ccc(OC(=O)C=Cc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000820841888 607093761 /nfs/dbraw/zinc/09/37/61/607093761.db2.gz HBQIWORJQVWALL-NTMALXAHSA-N -1 3 366.352 3.217 20 0 FGADHM C[C@@H](Cc1ccccc1Br)Nc1ncccc1-c1nnn[n-]1 ZINC000820301105 607114133 /nfs/dbraw/zinc/11/41/33/607114133.db2.gz UTTQFIFINGTVEQ-JTQLQIEISA-N -1 3 359.231 3.067 20 0 FGADHM C[C@@H](Cc1ccccc1Br)Nc1ncccc1-c1nn[n-]n1 ZINC000820301105 607114134 /nfs/dbraw/zinc/11/41/34/607114134.db2.gz UTTQFIFINGTVEQ-JTQLQIEISA-N -1 3 359.231 3.067 20 0 FGADHM C[C@]1(c2ccccc2)CN(c2ccc(Cl)cc2-c2nnn[n-]2)CCO1 ZINC000820636874 607115970 /nfs/dbraw/zinc/11/59/70/607115970.db2.gz VJFCSPAPDIDJSJ-GOSISDBHSA-N -1 3 355.829 3.272 20 0 FGADHM C[C@]1(c2ccccc2)CN(c2ccc(Cl)cc2-c2nn[n-]n2)CCO1 ZINC000820636874 607115972 /nfs/dbraw/zinc/11/59/72/607115972.db2.gz VJFCSPAPDIDJSJ-GOSISDBHSA-N -1 3 355.829 3.272 20 0 FGADHM Clc1cc(-c2nnn[n-]2)cnc1NCc1nnc(-c2ccccc2)s1 ZINC000822568087 607117728 /nfs/dbraw/zinc/11/77/28/607117728.db2.gz LJOZSIPJCYXNMQ-UHFFFAOYSA-N -1 3 370.829 3.046 20 0 FGADHM Clc1cc(-c2nn[n-]n2)cnc1NCc1nnc(-c2ccccc2)s1 ZINC000822568087 607117730 /nfs/dbraw/zinc/11/77/30/607117730.db2.gz LJOZSIPJCYXNMQ-UHFFFAOYSA-N -1 3 370.829 3.046 20 0 FGADHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)OCc1cc(F)ccc1F ZINC000820005470 607118773 /nfs/dbraw/zinc/11/87/73/607118773.db2.gz RRRGUTUXLICTHM-UHFFFAOYSA-N -1 3 374.347 3.046 20 0 FGADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OCc1cc(F)ccc1F ZINC000820005470 607118775 /nfs/dbraw/zinc/11/87/75/607118775.db2.gz RRRGUTUXLICTHM-UHFFFAOYSA-N -1 3 374.347 3.046 20 0 FGADHM C[C@@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)c1ccccc1-n1cccn1 ZINC000820461423 607118814 /nfs/dbraw/zinc/11/88/14/607118814.db2.gz JSDOHRTUTDPPFD-LLVKDONJSA-N -1 3 366.816 3.274 20 0 FGADHM C[C@@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)c1ccccc1-n1cccn1 ZINC000820461423 607118815 /nfs/dbraw/zinc/11/88/15/607118815.db2.gz JSDOHRTUTDPPFD-LLVKDONJSA-N -1 3 366.816 3.274 20 0 FGADHM O=C(CNc1ccc(-c2nn[n-]n2)cc1Cl)Nc1cccc(Cl)c1 ZINC000823014094 607125205 /nfs/dbraw/zinc/12/52/05/607125205.db2.gz FLQFINQATWJFFE-UHFFFAOYSA-N -1 3 363.208 3.224 20 0 FGADHM Cc1cccc(NC(=O)CNc2ccc(-c3nn[n-]n3)cc2Cl)c1C ZINC000822323277 607126041 /nfs/dbraw/zinc/12/60/41/607126041.db2.gz CGJQQMGYWOLGRU-UHFFFAOYSA-N -1 3 356.817 3.188 20 0 FGADHM Cc1cccc([C@@H](O)CNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c1 ZINC000822288831 607127696 /nfs/dbraw/zinc/12/76/96/607127696.db2.gz KQRDDELBAXRGKN-HNNXBMFYSA-N -1 3 363.343 3.339 20 0 FGADHM Cc1cccc([C@@H](O)CNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c1 ZINC000822288831 607127697 /nfs/dbraw/zinc/12/76/97/607127697.db2.gz KQRDDELBAXRGKN-HNNXBMFYSA-N -1 3 363.343 3.339 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@H](CC)OC1CCCCC1 ZINC000821389353 607150153 /nfs/dbraw/zinc/15/01/53/607150153.db2.gz JUBASILPEHLIDA-HNNXBMFYSA-N -1 3 374.441 3.299 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@H](CC)OC1CCCCC1 ZINC000821389353 607150154 /nfs/dbraw/zinc/15/01/54/607150154.db2.gz JUBASILPEHLIDA-HNNXBMFYSA-N -1 3 374.441 3.299 20 0 FGADHM C[C@@H](OC1CCCCCC1)C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820519970 607152016 /nfs/dbraw/zinc/15/20/16/607152016.db2.gz XSWPPRCRQPWOTQ-UONOGXRCSA-N -1 3 357.458 3.172 20 0 FGADHM C[C@@H](OC1CCCCCC1)C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820519970 607152017 /nfs/dbraw/zinc/15/20/17/607152017.db2.gz XSWPPRCRQPWOTQ-UONOGXRCSA-N -1 3 357.458 3.172 20 0 FGADHM CCC(CC)(CC)C(=O)N1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000820881679 607155056 /nfs/dbraw/zinc/15/50/56/607155056.db2.gz COJNMQDSVMZDDL-UHFFFAOYSA-N -1 3 370.501 3.122 20 0 FGADHM CCC(CC)(CC)C(=O)N1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000820881679 607155058 /nfs/dbraw/zinc/15/50/58/607155058.db2.gz COJNMQDSVMZDDL-UHFFFAOYSA-N -1 3 370.501 3.122 20 0 FGADHM CCCC[C@@H](Sc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1cc(C)on1 ZINC000821043423 607162358 /nfs/dbraw/zinc/16/23/58/607162358.db2.gz PCYHFJYUDQYQOZ-CQSZACIVSA-N -1 3 372.454 3.453 20 0 FGADHM CCCC[C@@H](Sc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cc(C)on1 ZINC000821043423 607162360 /nfs/dbraw/zinc/16/23/60/607162360.db2.gz PCYHFJYUDQYQOZ-CQSZACIVSA-N -1 3 372.454 3.453 20 0 FGADHM CC(C)[C@H](Sc1ccc(-c2nnn[n-]2)cc1)C(=O)NC1CCCCC1 ZINC000820033319 607162601 /nfs/dbraw/zinc/16/26/01/607162601.db2.gz UDBQBDLXGNUQAN-INIZCTEOSA-N -1 3 359.499 3.432 20 0 FGADHM CC(C)[C@H](Sc1ccc(-c2nn[n-]n2)cc1)C(=O)NC1CCCCC1 ZINC000820033319 607162603 /nfs/dbraw/zinc/16/26/03/607162603.db2.gz UDBQBDLXGNUQAN-INIZCTEOSA-N -1 3 359.499 3.432 20 0 FGADHM CC(C)CC[C@H]1CCCN1C(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000820073778 607163607 /nfs/dbraw/zinc/16/36/07/607163607.db2.gz VPOBVOFCNXWLNX-GOEBONIOSA-N -1 3 357.458 3.061 20 0 FGADHM CSc1ccccc1NCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000821990881 607165916 /nfs/dbraw/zinc/16/59/16/607165916.db2.gz XNMRCBLWNSYNEC-UHFFFAOYSA-N -1 3 365.422 3.251 20 0 FGADHM CSc1ccccc1NCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000821990881 607165917 /nfs/dbraw/zinc/16/59/17/607165917.db2.gz XNMRCBLWNSYNEC-UHFFFAOYSA-N -1 3 365.422 3.251 20 0 FGADHM CC(C)Oc1ccc(C(=O)COc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000820154968 607170220 /nfs/dbraw/zinc/17/02/20/607170220.db2.gz FKDSLXAIBVUXML-UHFFFAOYSA-N -1 3 356.357 3.055 20 0 FGADHM CC(C)Oc1ccc(C(=O)COc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000820154968 607170221 /nfs/dbraw/zinc/17/02/21/607170221.db2.gz FKDSLXAIBVUXML-UHFFFAOYSA-N -1 3 356.357 3.055 20 0 FGADHM CCc1ccc2c(COc3ccc(-c4nnn[n-]4)cc3F)cc(=O)oc2c1 ZINC000821486805 607170417 /nfs/dbraw/zinc/17/04/17/607170417.db2.gz MHUJGPHFTHCHOM-UHFFFAOYSA-N -1 3 366.352 3.254 20 0 FGADHM CCc1ccc2c(COc3ccc(-c4nn[n-]n4)cc3F)cc(=O)oc2c1 ZINC000821486805 607170418 /nfs/dbraw/zinc/17/04/18/607170418.db2.gz MHUJGPHFTHCHOM-UHFFFAOYSA-N -1 3 366.352 3.254 20 0 FGADHM Cn1c(Cl)c(Cl)cc1C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000822596482 607190097 /nfs/dbraw/zinc/19/00/97/607190097.db2.gz LQZSYLNNEGZDPZ-UHFFFAOYSA-N -1 3 371.615 3.418 20 0 FGADHM Cn1c(Cl)c(Cl)cc1C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822596482 607190098 /nfs/dbraw/zinc/19/00/98/607190098.db2.gz LQZSYLNNEGZDPZ-UHFFFAOYSA-N -1 3 371.615 3.418 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000823315303 607192058 /nfs/dbraw/zinc/19/20/58/607192058.db2.gz WZWYJHXGIIURGF-QWHCGFSZSA-N -1 3 357.776 3.401 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000823315303 607192059 /nfs/dbraw/zinc/19/20/59/607192059.db2.gz WZWYJHXGIIURGF-QWHCGFSZSA-N -1 3 357.776 3.401 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N[C@@H]1CCCC(F)(F)C1 ZINC000823309009 607193848 /nfs/dbraw/zinc/19/38/48/607193848.db2.gz PEVUQKMQZWVZRX-SECBINFHSA-N -1 3 356.764 3.220 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N[C@@H]1CCCC(F)(F)C1 ZINC000823309009 607193849 /nfs/dbraw/zinc/19/38/49/607193849.db2.gz PEVUQKMQZWVZRX-SECBINFHSA-N -1 3 356.764 3.220 20 0 FGADHM COc1ccccc1[C@H](C)NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821882568 607199530 /nfs/dbraw/zinc/19/95/30/607199530.db2.gz DYKMXMUYMIXGCG-JTQLQIEISA-N -1 3 372.816 3.411 20 0 FGADHM COc1ccccc1[C@H](C)NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821882568 607199531 /nfs/dbraw/zinc/19/95/31/607199531.db2.gz DYKMXMUYMIXGCG-JTQLQIEISA-N -1 3 372.816 3.411 20 0 FGADHM Cc1cnc([C@H](C)NC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)s1 ZINC000822389051 607200255 /nfs/dbraw/zinc/20/02/55/607200255.db2.gz JTBRXDPQSKNENY-QMMMGPOBSA-N -1 3 363.834 3.168 20 0 FGADHM Cc1cnc([C@H](C)NC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)s1 ZINC000822389051 607200256 /nfs/dbraw/zinc/20/02/56/607200256.db2.gz JTBRXDPQSKNENY-QMMMGPOBSA-N -1 3 363.834 3.168 20 0 FGADHM COc1cccc([C@@H](C)NC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000821860163 607202910 /nfs/dbraw/zinc/20/29/10/607202910.db2.gz YFIAGZXVWYXZDG-SNVBAGLBSA-N -1 3 372.816 3.411 20 0 FGADHM COc1cccc([C@@H](C)NC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000821860163 607202911 /nfs/dbraw/zinc/20/29/11/607202911.db2.gz YFIAGZXVWYXZDG-SNVBAGLBSA-N -1 3 372.816 3.411 20 0 FGADHM CCS[C@H]1CCC[C@H]1NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821456160 607204400 /nfs/dbraw/zinc/20/44/00/607204400.db2.gz NXWNRFYKXMXPGW-OLZOCXBDSA-N -1 3 366.878 3.316 20 0 FGADHM CCS[C@H]1CCC[C@H]1NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821456160 607204401 /nfs/dbraw/zinc/20/44/01/607204401.db2.gz NXWNRFYKXMXPGW-OLZOCXBDSA-N -1 3 366.878 3.316 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H]1CC2CCC1CC2 ZINC000821104508 607214096 /nfs/dbraw/zinc/21/40/96/607214096.db2.gz GTSJKJLLRBKWDT-PVARCSIZSA-N -1 3 368.485 3.367 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H]1CC2CCC1CC2 ZINC000821104508 607214097 /nfs/dbraw/zinc/21/40/97/607214097.db2.gz GTSJKJLLRBKWDT-PVARCSIZSA-N -1 3 368.485 3.367 20 0 FGADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)Cc2ccc(F)cc2Cl)s1 ZINC000821465447 607237564 /nfs/dbraw/zinc/23/75/64/607237564.db2.gz HNPXDVLYOYYLRE-UHFFFAOYSA-N -1 3 365.821 3.464 20 0 FGADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)Cc2ccc(F)cc2Cl)s1 ZINC000821465447 607237565 /nfs/dbraw/zinc/23/75/65/607237565.db2.gz HNPXDVLYOYYLRE-UHFFFAOYSA-N -1 3 365.821 3.464 20 0 FGADHM Cc1noc(C(F)F)c1C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000822520209 607242974 /nfs/dbraw/zinc/24/29/74/607242974.db2.gz SYPNGRUBWCCJTR-UHFFFAOYSA-N -1 3 354.704 3.006 20 0 FGADHM Cc1noc(C(F)F)c1C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822520209 607242975 /nfs/dbraw/zinc/24/29/75/607242975.db2.gz SYPNGRUBWCCJTR-UHFFFAOYSA-N -1 3 354.704 3.006 20 0 FGADHM O=C(Cc1coc2cc(F)ccc12)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000823118644 607246483 /nfs/dbraw/zinc/24/64/83/607246483.db2.gz JYBUPVQBFMXFPK-UHFFFAOYSA-N -1 3 356.288 3.039 20 0 FGADHM O=C(Cc1coc2cc(F)ccc12)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000823118644 607246484 /nfs/dbraw/zinc/24/64/84/607246484.db2.gz JYBUPVQBFMXFPK-UHFFFAOYSA-N -1 3 356.288 3.039 20 0 FGADHM O=C(Cc1ccccc1C(F)(F)F)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000823114727 607248085 /nfs/dbraw/zinc/24/80/85/607248085.db2.gz CDTIWCHUVGFLJH-UHFFFAOYSA-N -1 3 366.274 3.173 20 0 FGADHM O=C(Cc1ccccc1C(F)(F)F)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000823114727 607248086 /nfs/dbraw/zinc/24/80/86/607248086.db2.gz CDTIWCHUVGFLJH-UHFFFAOYSA-N -1 3 366.274 3.173 20 0 FGADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)c1ccc(Br)s1 ZINC000823451130 607250004 /nfs/dbraw/zinc/25/00/04/607250004.db2.gz VPQQJRYMIMTFEP-UHFFFAOYSA-N -1 3 369.175 3.049 20 0 FGADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)c1ccc(Br)s1 ZINC000823451130 607250005 /nfs/dbraw/zinc/25/00/05/607250005.db2.gz VPQQJRYMIMTFEP-UHFFFAOYSA-N -1 3 369.175 3.049 20 0 FGADHM COc1ccc(OC)c(NC(=S)Nc2cccc(-c3nnn[n-]3)c2C)c1 ZINC000821842995 607252008 /nfs/dbraw/zinc/25/20/08/607252008.db2.gz XKONQPIPQUKAKX-UHFFFAOYSA-N -1 3 370.438 3.001 20 0 FGADHM COc1ccc(OC)c(NC(=S)Nc2cccc(-c3nn[n-]n3)c2C)c1 ZINC000821842995 607252009 /nfs/dbraw/zinc/25/20/09/607252009.db2.gz XKONQPIPQUKAKX-UHFFFAOYSA-N -1 3 370.438 3.001 20 0 FGADHM CC1(C)CCc2ccccc2[C@H]1NC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000824807241 607774331 /nfs/dbraw/zinc/77/43/31/607774331.db2.gz GUSUSODLHIIGAS-LJQANCHMSA-N -1 3 361.449 3.239 20 0 FGADHM CC1(C)CCc2ccccc2[C@H]1NC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000824807241 607774332 /nfs/dbraw/zinc/77/43/32/607774332.db2.gz GUSUSODLHIIGAS-LJQANCHMSA-N -1 3 361.449 3.239 20 0 FGADHM C[C@@H](OC(=O)c1cc(-c2nnn[n-]2)cn1C)c1cc(Cl)ccc1Cl ZINC000824723404 607779310 /nfs/dbraw/zinc/77/93/10/607779310.db2.gz RGONTQPGHBAORX-MRVPVSSYSA-N -1 3 366.208 3.430 20 0 FGADHM C[C@@H](OC(=O)c1cc(-c2nn[n-]n2)cn1C)c1cc(Cl)ccc1Cl ZINC000824723404 607779311 /nfs/dbraw/zinc/77/93/11/607779311.db2.gz RGONTQPGHBAORX-MRVPVSSYSA-N -1 3 366.208 3.430 20 0 FGADHM COc1cccc(OCCSCc2cc(-c3nnn[n-]3)ccc2OC)c1 ZINC000826217212 607784896 /nfs/dbraw/zinc/78/48/96/607784896.db2.gz CABCSVLGRMDBTB-UHFFFAOYSA-N -1 3 372.450 3.196 20 0 FGADHM COc1cccc(OCCSCc2cc(-c3nn[n-]n3)ccc2OC)c1 ZINC000826217212 607784897 /nfs/dbraw/zinc/78/48/97/607784897.db2.gz CABCSVLGRMDBTB-UHFFFAOYSA-N -1 3 372.450 3.196 20 0 FGADHM CN(C(=O)c1cc(-c2ccccc2)ns1)c1ccccc1-c1nnn[n-]1 ZINC000825825882 607788117 /nfs/dbraw/zinc/78/81/17/607788117.db2.gz MLYUPSDAUNJURC-UHFFFAOYSA-N -1 3 362.418 3.267 20 0 FGADHM CN(C(=O)c1cc(-c2ccccc2)ns1)c1ccccc1-c1nn[n-]n1 ZINC000825825882 607788118 /nfs/dbraw/zinc/78/81/18/607788118.db2.gz MLYUPSDAUNJURC-UHFFFAOYSA-N -1 3 362.418 3.267 20 0 FGADHM Cc1cc(C(=O)N(C)c2ccccc2-c2nnn[n-]2)cc(C)c1OC(F)F ZINC000826257717 607789375 /nfs/dbraw/zinc/78/93/75/607789375.db2.gz MTSKNZPXILIMNJ-UHFFFAOYSA-N -1 3 373.363 3.362 20 0 FGADHM Cc1cc(C(=O)N(C)c2ccccc2-c2nn[n-]n2)cc(C)c1OC(F)F ZINC000826257717 607789376 /nfs/dbraw/zinc/78/93/76/607789376.db2.gz MTSKNZPXILIMNJ-UHFFFAOYSA-N -1 3 373.363 3.362 20 0 FGADHM CN(C(=O)c1cc(F)cc(C(F)(F)F)c1)c1ccccc1-c1nnn[n-]1 ZINC000825825962 607789465 /nfs/dbraw/zinc/78/94/65/607789465.db2.gz PUEYXXGRCGLUIZ-UHFFFAOYSA-N -1 3 365.290 3.301 20 0 FGADHM CN(C(=O)c1cc(F)cc(C(F)(F)F)c1)c1ccccc1-c1nn[n-]n1 ZINC000825825962 607789466 /nfs/dbraw/zinc/78/94/66/607789466.db2.gz PUEYXXGRCGLUIZ-UHFFFAOYSA-N -1 3 365.290 3.301 20 0 FGADHM CC(C)(CNC(=O)NCc1cc(-c2nnn[n-]2)ccc1F)C1CCCC1 ZINC000824157771 607793487 /nfs/dbraw/zinc/79/34/87/607793487.db2.gz LCQHRLJOHBBAKI-UHFFFAOYSA-N -1 3 360.437 3.021 20 0 FGADHM CC(C)(CNC(=O)NCc1cc(-c2nn[n-]n2)ccc1F)C1CCCC1 ZINC000824157771 607793488 /nfs/dbraw/zinc/79/34/88/607793488.db2.gz LCQHRLJOHBBAKI-UHFFFAOYSA-N -1 3 360.437 3.021 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCCC1=CCCC1 ZINC000825318042 607794729 /nfs/dbraw/zinc/79/47/29/607794729.db2.gz HGTRZPONXICBIQ-UHFFFAOYSA-N -1 3 354.458 3.289 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCC1=CCCC1 ZINC000825318042 607794730 /nfs/dbraw/zinc/79/47/30/607794730.db2.gz HGTRZPONXICBIQ-UHFFFAOYSA-N -1 3 354.458 3.289 20 0 FGADHM CCN(C(=O)[C@H]1CCCc2sccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000825366537 607798150 /nfs/dbraw/zinc/79/81/50/607798150.db2.gz BEJRMIGTIGVART-HNNXBMFYSA-N -1 3 353.451 3.401 20 0 FGADHM CCN(C(=O)[C@H]1CCCc2sccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000825366537 607798151 /nfs/dbraw/zinc/79/81/51/607798151.db2.gz BEJRMIGTIGVART-HNNXBMFYSA-N -1 3 353.451 3.401 20 0 FGADHM CCN(C(=O)Cc1ccccc1OC(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825376720 607800202 /nfs/dbraw/zinc/80/02/02/607800202.db2.gz MKSIPKKBWYUQDX-UHFFFAOYSA-N -1 3 365.437 3.250 20 0 FGADHM CCN(C(=O)Cc1ccccc1OC(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825376720 607800203 /nfs/dbraw/zinc/80/02/03/607800203.db2.gz MKSIPKKBWYUQDX-UHFFFAOYSA-N -1 3 365.437 3.250 20 0 FGADHM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)cn1)c1ccc(C(F)(F)F)cc1 ZINC000736156994 607801048 /nfs/dbraw/zinc/80/10/48/607801048.db2.gz GYUSXUXIUWKPLL-VIFPVBQESA-N -1 3 363.299 3.199 20 0 FGADHM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)cn1)c1ccc(C(F)(F)F)cc1 ZINC000736156994 607801049 /nfs/dbraw/zinc/80/10/49/607801049.db2.gz GYUSXUXIUWKPLL-VIFPVBQESA-N -1 3 363.299 3.199 20 0 FGADHM COc1ccc(CNc2cnccc2OC(C)(C)C)cc1-c1nnn[n-]1 ZINC000826203892 607820172 /nfs/dbraw/zinc/82/01/72/607820172.db2.gz KXZNYPXSELLBOZ-UHFFFAOYSA-N -1 3 354.414 3.060 20 0 FGADHM COc1ccc(CNc2cnccc2OC(C)(C)C)cc1-c1nn[n-]n1 ZINC000826203892 607820173 /nfs/dbraw/zinc/82/01/73/607820173.db2.gz KXZNYPXSELLBOZ-UHFFFAOYSA-N -1 3 354.414 3.060 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)Nc1cccc(-c2ncco2)c1 ZINC000826402388 607825800 /nfs/dbraw/zinc/82/58/00/607825800.db2.gz SGFYLBQBMBVOSW-CMDGGOBGSA-N -1 3 358.361 3.174 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)Nc1cccc(-c2ncco2)c1 ZINC000826402388 607825801 /nfs/dbraw/zinc/82/58/01/607825801.db2.gz SGFYLBQBMBVOSW-CMDGGOBGSA-N -1 3 358.361 3.174 20 0 FGADHM CCCCCNC(=O)[C@@H](C)Sc1ccc(-c2nnn[n-]2)cc1Cl ZINC000825276351 607843563 /nfs/dbraw/zinc/84/35/63/607843563.db2.gz WYLACYOKARYMMN-SNVBAGLBSA-N -1 3 353.879 3.307 20 0 FGADHM CCCCCNC(=O)[C@@H](C)Sc1ccc(-c2nn[n-]n2)cc1Cl ZINC000825276351 607843564 /nfs/dbraw/zinc/84/35/64/607843564.db2.gz WYLACYOKARYMMN-SNVBAGLBSA-N -1 3 353.879 3.307 20 0 FGADHM O[C@H](COc1ccc(-c2nnn[n-]2)c(F)c1)c1cccc(C(F)(F)F)c1 ZINC000826504007 607874461 /nfs/dbraw/zinc/87/44/61/607874461.db2.gz LIPPAOJCOURQAZ-CQSZACIVSA-N -1 3 368.290 3.137 20 0 FGADHM O[C@H](COc1ccc(-c2nn[n-]n2)c(F)c1)c1cccc(C(F)(F)F)c1 ZINC000826504007 607874462 /nfs/dbraw/zinc/87/44/62/607874462.db2.gz LIPPAOJCOURQAZ-CQSZACIVSA-N -1 3 368.290 3.137 20 0 FGADHM CC(=O)c1ccc2cc(OC[C@@H](O)c3ccc(-c4nnn[n-]4)cc3)ccc2c1 ZINC000824029678 607876276 /nfs/dbraw/zinc/87/62/76/607876276.db2.gz PGSNHKHZUGAUHA-HXUWFJFHSA-N -1 3 374.400 3.335 20 0 FGADHM CC(=O)c1ccc2cc(OC[C@@H](O)c3ccc(-c4nn[n-]n4)cc3)ccc2c1 ZINC000824029678 607876277 /nfs/dbraw/zinc/87/62/77/607876277.db2.gz PGSNHKHZUGAUHA-HXUWFJFHSA-N -1 3 374.400 3.335 20 0 FGADHM C[C@H](Cc1cccc(Cl)c1)C(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000824457579 607881069 /nfs/dbraw/zinc/88/10/69/607881069.db2.gz QEYCYQKZFPDAHB-CYBMUJFWSA-N -1 3 369.856 3.357 20 0 FGADHM C[C@H](Cc1cccc(Cl)c1)C(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000824457579 607881070 /nfs/dbraw/zinc/88/10/70/607881070.db2.gz QEYCYQKZFPDAHB-CYBMUJFWSA-N -1 3 369.856 3.357 20 0 FGADHM CC(C)[C@H](C(=O)NCc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC000824185362 607881129 /nfs/dbraw/zinc/88/11/29/607881129.db2.gz XEDCKLFIZAYEEJ-KRWDZBQOSA-N -1 3 353.401 3.062 20 0 FGADHM CC(C)[C@H](C(=O)NCc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC000824185362 607881130 /nfs/dbraw/zinc/88/11/30/607881130.db2.gz XEDCKLFIZAYEEJ-KRWDZBQOSA-N -1 3 353.401 3.062 20 0 FGADHM O=C(Cn1ccc(-c2nnn[n-]2)c1)N[C@@H](c1ccccc1)C1CCCCC1 ZINC000826424469 607892779 /nfs/dbraw/zinc/89/27/79/607892779.db2.gz NLMNIBXDFGWYLJ-IBGZPJMESA-N -1 3 364.453 3.106 20 0 FGADHM O=C(Cn1ccc(-c2nn[n-]n2)c1)N[C@@H](c1ccccc1)C1CCCCC1 ZINC000826424469 607892780 /nfs/dbraw/zinc/89/27/80/607892780.db2.gz NLMNIBXDFGWYLJ-IBGZPJMESA-N -1 3 364.453 3.106 20 0 FGADHM CC(=O)c1ccc2c(c1)CCN(c1ccc(Cl)cc1-c1nnn[n-]1)CC2 ZINC000824030201 607903654 /nfs/dbraw/zinc/90/36/54/607903654.db2.gz ZDVPIWBAJMZJQW-UHFFFAOYSA-N -1 3 367.840 3.328 20 0 FGADHM CC(=O)c1ccc2c(c1)CCN(c1ccc(Cl)cc1-c1nn[n-]n1)CC2 ZINC000824030201 607903655 /nfs/dbraw/zinc/90/36/55/607903655.db2.gz ZDVPIWBAJMZJQW-UHFFFAOYSA-N -1 3 367.840 3.328 20 0 FGADHM C[C@H](Nc1c(Cl)cccc1-c1nnn[n-]1)c1ccc([S@@](C)=O)cc1 ZINC000824651164 607903683 /nfs/dbraw/zinc/90/36/83/607903683.db2.gz XBPWIZJAVHZTJR-CCGUKBGLSA-N -1 3 361.858 3.431 20 0 FGADHM C[C@H](Nc1c(Cl)cccc1-c1nn[n-]n1)c1ccc([S@@](C)=O)cc1 ZINC000824651164 607903684 /nfs/dbraw/zinc/90/36/84/607903684.db2.gz XBPWIZJAVHZTJR-CCGUKBGLSA-N -1 3 361.858 3.431 20 0 FGADHM Cc1nc2ccccc2n1C[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826328782 607904162 /nfs/dbraw/zinc/90/41/62/607904162.db2.gz CRILUFMTQZPVBQ-QGZVFWFLSA-N -1 3 359.437 3.194 20 0 FGADHM Cc1ccc(F)c(NC(=S)N2CCc3ccc(-c4nnn[n-]4)cc32)c1 ZINC000826289641 607930704 /nfs/dbraw/zinc/93/07/04/607930704.db2.gz HQODSFLNRGGUET-UHFFFAOYSA-N -1 3 354.414 3.074 20 0 FGADHM Cc1ccc(F)c(NC(=S)N2CCc3ccc(-c4nn[n-]n4)cc32)c1 ZINC000826289641 607930705 /nfs/dbraw/zinc/93/07/05/607930705.db2.gz HQODSFLNRGGUET-UHFFFAOYSA-N -1 3 354.414 3.074 20 0 FGADHM Cc1ccc([C@H]2C[C@@H](OC(=O)c3cc(-c4nnn[n-]4)cs3)CCO2)cc1 ZINC000826285294 607946465 /nfs/dbraw/zinc/94/64/65/607946465.db2.gz UZGUECFVDZATCI-LSDHHAIUSA-N -1 3 370.434 3.314 20 0 FGADHM Cc1ccc([C@H]2C[C@@H](OC(=O)c3cc(-c4nn[n-]n4)cs3)CCO2)cc1 ZINC000826285294 607946466 /nfs/dbraw/zinc/94/64/66/607946466.db2.gz UZGUECFVDZATCI-LSDHHAIUSA-N -1 3 370.434 3.314 20 0 FGADHM Cc1ccc2c(CCC(=O)N3CCc4ccc(-c5nnn[n-]5)cc43)c[nH]c2c1 ZINC000826293110 607948093 /nfs/dbraw/zinc/94/80/93/607948093.db2.gz BGSZQCNXKDHMFU-UHFFFAOYSA-N -1 3 372.432 3.178 20 0 FGADHM Cc1ccc2c(CCC(=O)N3CCc4ccc(-c5nn[n-]n5)cc43)c[nH]c2c1 ZINC000826293110 607948094 /nfs/dbraw/zinc/94/80/94/607948094.db2.gz BGSZQCNXKDHMFU-UHFFFAOYSA-N -1 3 372.432 3.178 20 0 FGADHM O=C(CCCc1ccc(F)c(F)c1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826406924 607950249 /nfs/dbraw/zinc/95/02/49/607950249.db2.gz SSFZZFIUVTWZJN-UHFFFAOYSA-N -1 3 369.375 3.057 20 0 FGADHM O=C(CCCc1ccc(F)c(F)c1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826406924 607950250 /nfs/dbraw/zinc/95/02/50/607950250.db2.gz SSFZZFIUVTWZJN-UHFFFAOYSA-N -1 3 369.375 3.057 20 0 FGADHM CC(C)(C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21)c1ccccc1Cl ZINC000824058839 607952178 /nfs/dbraw/zinc/95/21/78/607952178.db2.gz DZZLUGRQJDGBIS-UHFFFAOYSA-N -1 3 367.840 3.387 20 0 FGADHM CC(C)(C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21)c1ccccc1Cl ZINC000824058839 607952179 /nfs/dbraw/zinc/95/21/79/607952179.db2.gz DZZLUGRQJDGBIS-UHFFFAOYSA-N -1 3 367.840 3.387 20 0 FGADHM COc1ccc(CN2c3cccc4cccc(c34)C2=O)cc1-c1nnn[n-]1 ZINC000826193541 607971823 /nfs/dbraw/zinc/97/18/23/607971823.db2.gz GYICBJXWYSJXLP-UHFFFAOYSA-N -1 3 357.373 3.189 20 0 FGADHM COc1ccc(CN2c3cccc4cccc(c34)C2=O)cc1-c1nn[n-]n1 ZINC000826193541 607971824 /nfs/dbraw/zinc/97/18/24/607971824.db2.gz GYICBJXWYSJXLP-UHFFFAOYSA-N -1 3 357.373 3.189 20 0 FGADHM CCCn1c2ccc(-c3nnn[n-]3)cc2nc1-c1ccc(OC)c(OC)c1 ZINC000825351447 607974585 /nfs/dbraw/zinc/97/45/85/607974585.db2.gz FCECNNCUDJAWFU-UHFFFAOYSA-N -1 3 364.409 3.311 20 0 FGADHM CCCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1ccc(OC)c(OC)c1 ZINC000825351447 607974586 /nfs/dbraw/zinc/97/45/86/607974586.db2.gz FCECNNCUDJAWFU-UHFFFAOYSA-N -1 3 364.409 3.311 20 0 FGADHM CCCn1c2ccc(-c3nnn[n-]3)cc2nc1-c1cccc(O)c1OC ZINC000825351301 607974635 /nfs/dbraw/zinc/97/46/35/607974635.db2.gz BOTSRMKFALNNIM-UHFFFAOYSA-N -1 3 350.382 3.008 20 0 FGADHM CCCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1cccc(O)c1OC ZINC000825351301 607974636 /nfs/dbraw/zinc/97/46/36/607974636.db2.gz BOTSRMKFALNNIM-UHFFFAOYSA-N -1 3 350.382 3.008 20 0 FGADHM CCCn1c2ccc(-c3nnn[n-]3)cc2nc1-c1ccc(NC(C)=O)cc1 ZINC000825353288 607974920 /nfs/dbraw/zinc/97/49/20/607974920.db2.gz UIJQVMOKBSFGCH-UHFFFAOYSA-N -1 3 361.409 3.252 20 0 FGADHM CCCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1ccc(NC(C)=O)cc1 ZINC000825353288 607974921 /nfs/dbraw/zinc/97/49/21/607974921.db2.gz UIJQVMOKBSFGCH-UHFFFAOYSA-N -1 3 361.409 3.252 20 0 FGADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1-c1ccc(-n2cccn2)cc1 ZINC000825782294 607975210 /nfs/dbraw/zinc/97/52/10/607975210.db2.gz BDBOEDKWLOGWIR-UHFFFAOYSA-N -1 3 356.393 3.089 20 0 FGADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1ccc(-n2cccn2)cc1 ZINC000825782294 607975211 /nfs/dbraw/zinc/97/52/11/607975211.db2.gz BDBOEDKWLOGWIR-UHFFFAOYSA-N -1 3 356.393 3.089 20 0 FGADHM CCOc1cc(-c2nc3cc(-c4nnn[n-]4)ccc3n2CC)ccc1OC ZINC000825603798 607975558 /nfs/dbraw/zinc/97/55/58/607975558.db2.gz CRSVHIJPEGJACJ-UHFFFAOYSA-N -1 3 364.409 3.311 20 0 FGADHM CCOc1cc(-c2nc3cc(-c4nn[n-]n4)ccc3n2CC)ccc1OC ZINC000825603798 607975559 /nfs/dbraw/zinc/97/55/59/607975559.db2.gz CRSVHIJPEGJACJ-UHFFFAOYSA-N -1 3 364.409 3.311 20 0 FGADHM CC(C)c1ccc([C@H]2CCCN2C(=O)c2cc(-c3nnn[n-]3)cn2C)cc1 ZINC000824347720 607977089 /nfs/dbraw/zinc/97/70/89/607977089.db2.gz LMXHBRBRZGWREE-QGZVFWFLSA-N -1 3 364.453 3.306 20 0 FGADHM CC(C)c1ccc([C@H]2CCCN2C(=O)c2cc(-c3nn[n-]n3)cn2C)cc1 ZINC000824347720 607977090 /nfs/dbraw/zinc/97/70/90/607977090.db2.gz LMXHBRBRZGWREE-QGZVFWFLSA-N -1 3 364.453 3.306 20 0 FGADHM O=C(OCc1cc(-c2nnn[n-]2)ccc1F)c1cnc2ccc(F)cc2c1 ZINC000826464408 607978272 /nfs/dbraw/zinc/97/82/72/607978272.db2.gz VOHILTNFSCFDCR-UHFFFAOYSA-N -1 3 367.315 3.050 20 0 FGADHM O=C(OCc1cc(-c2nn[n-]n2)ccc1F)c1cnc2ccc(F)cc2c1 ZINC000826464408 607978273 /nfs/dbraw/zinc/97/82/73/607978273.db2.gz VOHILTNFSCFDCR-UHFFFAOYSA-N -1 3 367.315 3.050 20 0 FGADHM C[C@@H](OC(=O)C=Cc1ccc(Cl)nc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824712944 608006253 /nfs/dbraw/zinc/00/62/53/608006253.db2.gz FMOFZGWVRAIUBV-IMAIQDNJSA-N -1 3 355.785 3.233 20 0 FGADHM C[C@@H](OC(=O)C=Cc1ccc(Cl)nc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824712944 608006254 /nfs/dbraw/zinc/00/62/54/608006254.db2.gz FMOFZGWVRAIUBV-IMAIQDNJSA-N -1 3 355.785 3.233 20 0 FGADHM Cc1cc(C)n(-c2ccccc2NCc2ccc(-c3nnn[n-]3)s2)n1 ZINC000826264805 608055772 /nfs/dbraw/zinc/05/57/72/608055772.db2.gz AUMGGIKMIGRLTR-UHFFFAOYSA-N -1 3 351.439 3.343 20 0 FGADHM CCC(CC)[C@H](C)C(=O)OCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000825097681 608058941 /nfs/dbraw/zinc/05/89/41/608058941.db2.gz YCSMCMUQCBAHDT-NSHDSACASA-N -1 3 370.413 3.032 20 0 FGADHM CCC(CC)[C@H](C)C(=O)OCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000825097681 608058942 /nfs/dbraw/zinc/05/89/42/608058942.db2.gz YCSMCMUQCBAHDT-NSHDSACASA-N -1 3 370.413 3.032 20 0 FGADHM CCSCc1ccnc(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)c1 ZINC000825675186 608074583 /nfs/dbraw/zinc/07/45/83/608074583.db2.gz ZFXKQPIWXVCKPR-BQYQJAHWSA-N -1 3 366.450 3.167 20 0 FGADHM CCSCc1ccnc(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)c1 ZINC000825675186 608074584 /nfs/dbraw/zinc/07/45/84/608074584.db2.gz ZFXKQPIWXVCKPR-BQYQJAHWSA-N -1 3 366.450 3.167 20 0 FGADHM C[C@H](CC(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1)CC(C)(C)C ZINC000824385342 608085230 /nfs/dbraw/zinc/08/52/30/608085230.db2.gz QVCISLHNYNPIGJ-PBHICJAKSA-N -1 3 371.485 3.229 20 0 FGADHM C[C@H](CC(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1)CC(C)(C)C ZINC000824385342 608085231 /nfs/dbraw/zinc/08/52/31/608085231.db2.gz QVCISLHNYNPIGJ-PBHICJAKSA-N -1 3 371.485 3.229 20 0 FGADHM Cc1cc(COC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)on1 ZINC000826267739 608087258 /nfs/dbraw/zinc/08/72/58/608087258.db2.gz UAQKZXTXIRWUEX-UHFFFAOYSA-N -1 3 361.361 3.187 20 0 FGADHM Cc1cc(COC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)on1 ZINC000826267739 608087259 /nfs/dbraw/zinc/08/72/59/608087259.db2.gz UAQKZXTXIRWUEX-UHFFFAOYSA-N -1 3 361.361 3.187 20 0 FGADHM Cc1ccc([C@H]2CCN(C(=O)CCc3ccc(-c4nnn[n-]4)cc3)C2)cc1 ZINC000826285689 608129452 /nfs/dbraw/zinc/12/94/52/608129452.db2.gz HKTBKHLRTZEULO-IBGZPJMESA-N -1 3 361.449 3.124 20 0 FGADHM Cc1ccc([C@H]2CCN(C(=O)CCc3ccc(-c4nn[n-]n4)cc3)C2)cc1 ZINC000826285689 608129453 /nfs/dbraw/zinc/12/94/53/608129453.db2.gz HKTBKHLRTZEULO-IBGZPJMESA-N -1 3 361.449 3.124 20 0 FGADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N[C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000826304369 608150314 /nfs/dbraw/zinc/15/03/14/608150314.db2.gz IQFPXSMHEXZUJJ-CZUORRHYSA-N -1 3 366.469 3.151 20 0 FGADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N[C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000826304369 608150315 /nfs/dbraw/zinc/15/03/15/608150315.db2.gz IQFPXSMHEXZUJJ-CZUORRHYSA-N -1 3 366.469 3.151 20 0 FGADHM CCC[C@@H](C(=O)Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000825226255 608155943 /nfs/dbraw/zinc/15/59/43/608155943.db2.gz ZFLNNFQCYREOCK-OAHLLOKOSA-N -1 3 353.430 3.063 20 0 FGADHM CCN(C(=O)[C@@H](C)c1c(F)cccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000825361171 608157952 /nfs/dbraw/zinc/15/79/52/608157952.db2.gz CMBZIVGWKBUYSE-NSHDSACASA-N -1 3 357.364 3.302 20 0 FGADHM CCN(C(=O)[C@@H](C)c1c(F)cccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000825361171 608157955 /nfs/dbraw/zinc/15/79/55/608157955.db2.gz CMBZIVGWKBUYSE-NSHDSACASA-N -1 3 357.364 3.302 20 0 FGADHM C[C@H]1OCC[C@@H]1C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000825019315 608158328 /nfs/dbraw/zinc/15/83/28/608158328.db2.gz DCBNEKXVOVTGLF-PXAZEXFGSA-N -1 3 365.393 3.023 20 0 FGADHM C[C@H]1OCC[C@@H]1C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000825019315 608158329 /nfs/dbraw/zinc/15/83/29/608158329.db2.gz DCBNEKXVOVTGLF-PXAZEXFGSA-N -1 3 365.393 3.023 20 0 FGADHM C[C@@H]1OCC[C@@H]1C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000825019316 608158381 /nfs/dbraw/zinc/15/83/81/608158381.db2.gz DCBNEKXVOVTGLF-SJCJKPOMSA-N -1 3 365.393 3.023 20 0 FGADHM C[C@@H]1OCC[C@@H]1C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000825019316 608158383 /nfs/dbraw/zinc/15/83/83/608158383.db2.gz DCBNEKXVOVTGLF-SJCJKPOMSA-N -1 3 365.393 3.023 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)c1cc(F)c(Cl)cc1F ZINC000826454335 608160293 /nfs/dbraw/zinc/16/02/93/608160293.db2.gz SGUOZXXWLKLROR-UHFFFAOYSA-N -1 3 353.691 3.190 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)c1cc(F)c(Cl)cc1F ZINC000826454335 608160294 /nfs/dbraw/zinc/16/02/94/608160294.db2.gz SGUOZXXWLKLROR-UHFFFAOYSA-N -1 3 353.691 3.190 20 0 FGADHM C[C@H](NC(=O)N1CC[C@H](C)C2(CCC2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824487928 608161221 /nfs/dbraw/zinc/16/12/21/608161221.db2.gz CZZRRCOEUMTKSN-KBPBESRZSA-N -1 3 354.458 3.149 20 0 FGADHM C[C@H](NC(=O)N1CC[C@H](C)C2(CCC2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824487928 608161223 /nfs/dbraw/zinc/16/12/23/608161223.db2.gz CZZRRCOEUMTKSN-KBPBESRZSA-N -1 3 354.458 3.149 20 0 FGADHM CCn1c2ccc(Cl)cc2nc1NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825792963 608168061 /nfs/dbraw/zinc/16/80/61/608168061.db2.gz HBSYTKOUYXZRMV-UHFFFAOYSA-N -1 3 367.800 3.142 20 0 FGADHM CCn1c2ccc(Cl)cc2nc1NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825792963 608168062 /nfs/dbraw/zinc/16/80/62/608168062.db2.gz HBSYTKOUYXZRMV-UHFFFAOYSA-N -1 3 367.800 3.142 20 0 FGADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)[C@H](C)c1ccsc1 ZINC000825788373 608177271 /nfs/dbraw/zinc/17/72/71/608177271.db2.gz OWPYSDRBTQEUDM-SNVBAGLBSA-N -1 3 367.438 3.040 20 0 FGADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)[C@H](C)c1ccsc1 ZINC000825788373 608177272 /nfs/dbraw/zinc/17/72/72/608177272.db2.gz OWPYSDRBTQEUDM-SNVBAGLBSA-N -1 3 367.438 3.040 20 0 FGADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)O[C@@H](C)c1ccco1 ZINC000824206692 608190571 /nfs/dbraw/zinc/19/05/71/608190571.db2.gz GRRWIRAEWRWBIO-BLLLJJGKSA-N -1 3 356.382 3.168 20 0 FGADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)O[C@@H](C)c1ccco1 ZINC000824206692 608190572 /nfs/dbraw/zinc/19/05/72/608190572.db2.gz GRRWIRAEWRWBIO-BLLLJJGKSA-N -1 3 356.382 3.168 20 0 FGADHM CC1(C)[C@H](Nc2ccc3cc(-c4nnn[n-]4)ccc3n2)[C@H]2CCCO[C@@H]21 ZINC000824790765 608229554 /nfs/dbraw/zinc/22/95/54/608229554.db2.gz QIQOZMKIRDSXJR-XYPHTWIQSA-N -1 3 350.426 3.030 20 0 FGADHM CC1(C)[C@H](Nc2ccc3cc(-c4nn[n-]n4)ccc3n2)[C@H]2CCCO[C@@H]21 ZINC000824790765 608229556 /nfs/dbraw/zinc/22/95/56/608229556.db2.gz QIQOZMKIRDSXJR-XYPHTWIQSA-N -1 3 350.426 3.030 20 0 FGADHM CC(C)[C@H]1OCCC[C@@H]1CNc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000824230062 608231406 /nfs/dbraw/zinc/23/14/06/608231406.db2.gz ZACCSEICBDBAAA-CRAIPNDOSA-N -1 3 352.442 3.278 20 0 FGADHM CC(C)[C@H]1OCCC[C@@H]1CNc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000824230062 608231408 /nfs/dbraw/zinc/23/14/08/608231408.db2.gz ZACCSEICBDBAAA-CRAIPNDOSA-N -1 3 352.442 3.278 20 0 FGADHM COc1ccc(COCCNc2c(Cl)cccc2-c2nnn[n-]2)cc1 ZINC000826206997 608237877 /nfs/dbraw/zinc/23/78/77/608237877.db2.gz VQOCGTGBTRVUPK-UHFFFAOYSA-N -1 3 359.817 3.157 20 0 FGADHM COc1ccc(COCCNc2c(Cl)cccc2-c2nn[n-]n2)cc1 ZINC000826206997 608237879 /nfs/dbraw/zinc/23/78/79/608237879.db2.gz VQOCGTGBTRVUPK-UHFFFAOYSA-N -1 3 359.817 3.157 20 0 FGADHM Cc1cccc(C)c1[C@@H](C)OC(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000826296941 608248975 /nfs/dbraw/zinc/24/89/75/608248975.db2.gz PEHCGDHFENAXEF-CQSZACIVSA-N -1 3 352.394 3.167 20 0 FGADHM Cc1cccc(C)c1[C@@H](C)OC(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000826296941 608248976 /nfs/dbraw/zinc/24/89/76/608248976.db2.gz PEHCGDHFENAXEF-CQSZACIVSA-N -1 3 352.394 3.167 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)c1ccc(Cl)c(F)c1 ZINC000826184512 608254159 /nfs/dbraw/zinc/25/41/59/608254159.db2.gz ZWDVHWDBHYBIQE-UHFFFAOYSA-N -1 3 362.748 3.025 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)c1ccc(Cl)c(F)c1 ZINC000826184512 608254160 /nfs/dbraw/zinc/25/41/60/608254160.db2.gz ZWDVHWDBHYBIQE-UHFFFAOYSA-N -1 3 362.748 3.025 20 0 FGADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCC2)c1ccc(Cl)c(F)c1 ZINC000826460922 608265064 /nfs/dbraw/zinc/26/50/64/608265064.db2.gz YBTCVHSCNDDGSL-UHFFFAOYSA-N -1 3 363.805 3.462 20 0 FGADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCC2)c1ccc(Cl)c(F)c1 ZINC000826460922 608265065 /nfs/dbraw/zinc/26/50/65/608265065.db2.gz YBTCVHSCNDDGSL-UHFFFAOYSA-N -1 3 363.805 3.462 20 0 FGADHM CC(C)Cn1ncc(NC(=O)Nc2cccc(-c3nnn[n-]3)c2)c1C(C)C ZINC000824285105 608266148 /nfs/dbraw/zinc/26/61/48/608266148.db2.gz XQNPJQDHAGJRJA-UHFFFAOYSA-N -1 3 368.445 3.487 20 0 FGADHM CC(C)Cn1ncc(NC(=O)Nc2cccc(-c3nn[n-]n3)c2)c1C(C)C ZINC000824285105 608266150 /nfs/dbraw/zinc/26/61/50/608266150.db2.gz XQNPJQDHAGJRJA-UHFFFAOYSA-N -1 3 368.445 3.487 20 0 FGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CC[C@H](C)[C@H](C)C1 ZINC000824319163 608268669 /nfs/dbraw/zinc/26/86/69/608268669.db2.gz HXOVBTBIAOXLQW-QWHCGFSZSA-N -1 3 358.446 3.164 20 0 FGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CC[C@H](C)[C@H](C)C1 ZINC000824319163 608268671 /nfs/dbraw/zinc/26/86/71/608268671.db2.gz HXOVBTBIAOXLQW-QWHCGFSZSA-N -1 3 358.446 3.164 20 0 FGADHM CCc1cccnc1C(=O)N(Cc1ccco1)c1ccccc1-c1nnn[n-]1 ZINC000825728199 608269528 /nfs/dbraw/zinc/26/95/28/608269528.db2.gz KMERPVIJUNHRAO-UHFFFAOYSA-N -1 3 374.404 3.264 20 0 FGADHM CCc1cccnc1C(=O)N(Cc1ccco1)c1ccccc1-c1nn[n-]n1 ZINC000825728199 608269530 /nfs/dbraw/zinc/26/95/30/608269530.db2.gz KMERPVIJUNHRAO-UHFFFAOYSA-N -1 3 374.404 3.264 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)c(NCc2cc(Br)ccc2F)n1 ZINC000826276389 608274938 /nfs/dbraw/zinc/27/49/38/608274938.db2.gz DTDRLNFIFSPYAB-UHFFFAOYSA-N -1 3 363.194 3.084 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)c(NCc2cc(Br)ccc2F)n1 ZINC000826276389 608274939 /nfs/dbraw/zinc/27/49/39/608274939.db2.gz DTDRLNFIFSPYAB-UHFFFAOYSA-N -1 3 363.194 3.084 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)c(NCCCCOCCc2ccccc2)n1 ZINC000826276456 608276163 /nfs/dbraw/zinc/27/61/63/608276163.db2.gz HTKDYJHSBMRWTC-UHFFFAOYSA-N -1 3 352.442 3.022 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)c(NCCCCOCCc2ccccc2)n1 ZINC000826276456 608276164 /nfs/dbraw/zinc/27/61/64/608276164.db2.gz HTKDYJHSBMRWTC-UHFFFAOYSA-N -1 3 352.442 3.022 20 0 FGADHM CN(C(=O)c1cccc([C@@H]2CCCOC2)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000825829316 608280073 /nfs/dbraw/zinc/28/00/73/608280073.db2.gz BTYNWWUVUSQYIO-QGZVFWFLSA-N -1 3 363.421 3.037 20 0 FGADHM CN(C(=O)c1cccc([C@@H]2CCCOC2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000825829316 608280075 /nfs/dbraw/zinc/28/00/75/608280075.db2.gz BTYNWWUVUSQYIO-QGZVFWFLSA-N -1 3 363.421 3.037 20 0 FGADHM CC(C)(C)OC(=O)CCCCNc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000824098873 608295481 /nfs/dbraw/zinc/29/54/81/608295481.db2.gz CVPBHWQTPQAPTO-UHFFFAOYSA-N -1 3 351.838 3.444 20 0 FGADHM CC(C)(C)OC(=O)CCCCNc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000824098873 608295482 /nfs/dbraw/zinc/29/54/82/608295482.db2.gz CVPBHWQTPQAPTO-UHFFFAOYSA-N -1 3 351.838 3.444 20 0 FGADHM c1cn(C2CCCC2)nc1CNc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC000826525074 608299796 /nfs/dbraw/zinc/29/97/96/608299796.db2.gz VFWYNCGYLSXWGO-UHFFFAOYSA-N -1 3 364.457 3.064 20 0 FGADHM c1cn(C2CCCC2)nc1CNc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC000826525074 608299797 /nfs/dbraw/zinc/29/97/97/608299797.db2.gz VFWYNCGYLSXWGO-UHFFFAOYSA-N -1 3 364.457 3.064 20 0 FGADHM C[C@@H]1CCN(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C[C@@H]1C ZINC000824949087 608302793 /nfs/dbraw/zinc/30/27/93/608302793.db2.gz WKVFHYPGJPVCLM-ZJUUUORDSA-N -1 3 368.363 3.395 20 0 FGADHM C[C@@H]1CCN(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C[C@@H]1C ZINC000824949087 608302796 /nfs/dbraw/zinc/30/27/96/608302796.db2.gz WKVFHYPGJPVCLM-ZJUUUORDSA-N -1 3 368.363 3.395 20 0 FGADHM O=C(NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)[C@H]1CC12CCC2 ZINC000826440376 608306024 /nfs/dbraw/zinc/30/60/24/608306024.db2.gz KPKZEJNZFINFLW-GOSISDBHSA-N -1 3 359.433 3.340 20 0 FGADHM O=C(NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)[C@H]1CC12CCC2 ZINC000826440376 608306026 /nfs/dbraw/zinc/30/60/26/608306026.db2.gz KPKZEJNZFINFLW-GOSISDBHSA-N -1 3 359.433 3.340 20 0 FGADHM C[C@@H]1CCN(C(=O)NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)C1 ZINC000824949958 608356244 /nfs/dbraw/zinc/35/62/44/608356244.db2.gz ZIKJITKBMIOGBM-CQSZACIVSA-N -1 3 362.437 3.085 20 0 FGADHM C[C@@H]1CCN(C(=O)NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)C1 ZINC000824949958 608356246 /nfs/dbraw/zinc/35/62/46/608356246.db2.gz ZIKJITKBMIOGBM-CQSZACIVSA-N -1 3 362.437 3.085 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)[C@@H]1CCCc2sccc21 ZINC000826171570 608365606 /nfs/dbraw/zinc/36/56/06/608365606.db2.gz RDVPKFKEQKAWID-CQSZACIVSA-N -1 3 370.434 3.100 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)[C@@H]1CCCc2sccc21 ZINC000826171570 608365608 /nfs/dbraw/zinc/36/56/08/608365608.db2.gz RDVPKFKEQKAWID-CQSZACIVSA-N -1 3 370.434 3.100 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)CCCSC(C)(C)C ZINC000826171509 608371162 /nfs/dbraw/zinc/37/11/62/608371162.db2.gz PJOXHLSILNZKAB-UHFFFAOYSA-N -1 3 364.471 3.230 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)CCCSC(C)(C)C ZINC000826171509 608371165 /nfs/dbraw/zinc/37/11/65/608371165.db2.gz PJOXHLSILNZKAB-UHFFFAOYSA-N -1 3 364.471 3.230 20 0 FGADHM C[C@@H](NC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1)c1ccccc1 ZINC000824489657 608406588 /nfs/dbraw/zinc/40/65/88/608406588.db2.gz MPTAEHGADOFGLD-OAHLLOKOSA-N -1 3 374.448 3.427 20 0 FGADHM C[C@@H](NC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1)c1ccccc1 ZINC000824489657 608406589 /nfs/dbraw/zinc/40/65/89/608406589.db2.gz MPTAEHGADOFGLD-OAHLLOKOSA-N -1 3 374.448 3.427 20 0 FGADHM CC[C@@H](C)C[C@@H](C)NC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000825060191 608414501 /nfs/dbraw/zinc/41/45/01/608414501.db2.gz OFXFASKTAZODFF-HUUCEWRRSA-N -1 3 368.485 3.490 20 0 FGADHM CC[C@@H](C)C[C@@H](C)NC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825060191 608414502 /nfs/dbraw/zinc/41/45/02/608414502.db2.gz OFXFASKTAZODFF-HUUCEWRRSA-N -1 3 368.485 3.490 20 0 FGADHM COc1ccccc1C(C)(C)C(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826218813 608444629 /nfs/dbraw/zinc/44/46/29/608444629.db2.gz LJXSQFFYBOKAFU-UHFFFAOYSA-N -1 3 370.384 3.035 20 0 FGADHM COc1ccccc1C(C)(C)C(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826218813 608444631 /nfs/dbraw/zinc/44/46/31/608444631.db2.gz LJXSQFFYBOKAFU-UHFFFAOYSA-N -1 3 370.384 3.035 20 0 FGADHM O=C(C[C@H]1CCOc2ccccc21)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826405036 608448470 /nfs/dbraw/zinc/44/84/70/608448470.db2.gz UAYCZOXTBUHCMQ-GFCCVEGCSA-N -1 3 368.368 3.005 20 0 FGADHM O=C(C[C@H]1CCOc2ccccc21)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826405036 608448471 /nfs/dbraw/zinc/44/84/71/608448471.db2.gz UAYCZOXTBUHCMQ-GFCCVEGCSA-N -1 3 368.368 3.005 20 0 FGADHM CC[C@H](Oc1cccc(C)c1)C(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000825160063 608450994 /nfs/dbraw/zinc/45/09/94/608450994.db2.gz XIQWCUZIWXIXNC-INIZCTEOSA-N -1 3 370.384 3.215 20 0 FGADHM CC[C@H](Oc1cccc(C)c1)C(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000825160063 608450997 /nfs/dbraw/zinc/45/09/97/608450997.db2.gz XIQWCUZIWXIXNC-INIZCTEOSA-N -1 3 370.384 3.215 20 0 FGADHM Cc1cccc(NC(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000826299724 608469232 /nfs/dbraw/zinc/46/92/32/608469232.db2.gz RSWHHWIHQYYQMV-UHFFFAOYSA-N -1 3 360.421 3.496 20 0 FGADHM Cc1cccc(NC(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000826299724 608469234 /nfs/dbraw/zinc/46/92/34/608469234.db2.gz RSWHHWIHQYYQMV-UHFFFAOYSA-N -1 3 360.421 3.496 20 0 FGADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OCCCSC(C)(C)C ZINC000824737397 608475888 /nfs/dbraw/zinc/47/58/88/608475888.db2.gz GBQMOJMSCZXLLX-GFCCVEGCSA-N -1 3 364.471 3.099 20 0 FGADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)Nc1ccnc(-c2ccccc2)c1 ZINC000826442660 608476055 /nfs/dbraw/zinc/47/60/55/608476055.db2.gz FXCSYNOYODDCGA-UHFFFAOYSA-N -1 3 371.404 3.250 20 0 FGADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)Nc1ccnc(-c2ccccc2)c1 ZINC000826442660 608476057 /nfs/dbraw/zinc/47/60/57/608476057.db2.gz FXCSYNOYODDCGA-UHFFFAOYSA-N -1 3 371.404 3.250 20 0 FGADHM CC(C)C(=O)Nc1cccc(NCc2cccc(-c3nnn[n-]3)c2F)c1 ZINC000824184053 608480455 /nfs/dbraw/zinc/48/04/55/608480455.db2.gz CXOTWYBVUOQULP-UHFFFAOYSA-N -1 3 354.389 3.212 20 0 FGADHM CC(C)C(=O)Nc1cccc(NCc2cccc(-c3nn[n-]n3)c2F)c1 ZINC000824184053 608480456 /nfs/dbraw/zinc/48/04/56/608480456.db2.gz CXOTWYBVUOQULP-UHFFFAOYSA-N -1 3 354.389 3.212 20 0 FGADHM CCc1ccc(C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000825705204 608483196 /nfs/dbraw/zinc/48/31/96/608483196.db2.gz YSXQKFLMBJVCEN-UHFFFAOYSA-N -1 3 359.433 3.359 20 0 FGADHM CCc1ccc(C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000825705204 608483198 /nfs/dbraw/zinc/48/31/98/608483198.db2.gz YSXQKFLMBJVCEN-UHFFFAOYSA-N -1 3 359.433 3.359 20 0 FGADHM CCCN(CC(=O)Nc1ccccc1C)Cc1ccc(-c2nnn[n-]2)s1 ZINC000825307899 608499557 /nfs/dbraw/zinc/49/95/57/608499557.db2.gz QUKBGSJPFBPGRJ-UHFFFAOYSA-N -1 3 370.482 3.087 20 0 FGADHM CCCN(CC(=O)Nc1ccccc1C)Cc1ccc(-c2nn[n-]n2)s1 ZINC000825307899 608499559 /nfs/dbraw/zinc/49/95/59/608499559.db2.gz QUKBGSJPFBPGRJ-UHFFFAOYSA-N -1 3 370.482 3.087 20 0 FGADHM COc1cc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2)ccc1OC(C)C ZINC000826177792 608504313 /nfs/dbraw/zinc/50/43/13/608504313.db2.gz VSPHSFLVPXIQFL-UHFFFAOYSA-N -1 3 368.393 3.020 20 0 FGADHM COc1cc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2)ccc1OC(C)C ZINC000826177792 608504315 /nfs/dbraw/zinc/50/43/15/608504315.db2.gz VSPHSFLVPXIQFL-UHFFFAOYSA-N -1 3 368.393 3.020 20 0 FGADHM CN(Cc1ccc(Br)s1)Cc1cc(-c2nnn[n-]2)cs1 ZINC000825953354 608505040 /nfs/dbraw/zinc/50/50/40/608505040.db2.gz GRZYKNBQBYAGER-UHFFFAOYSA-N -1 3 370.301 3.384 20 0 FGADHM CN(Cc1ccc(Br)s1)Cc1cc(-c2nn[n-]n2)cs1 ZINC000825953354 608505041 /nfs/dbraw/zinc/50/50/41/608505041.db2.gz GRZYKNBQBYAGER-UHFFFAOYSA-N -1 3 370.301 3.384 20 0 FGADHM CCC(CC)n1ccc(CNC2(c3cccc(-c4nn[n-]n4)c3)CC2)n1 ZINC000825113558 608528716 /nfs/dbraw/zinc/52/87/16/608528716.db2.gz BBBGKOJYLCCTBB-UHFFFAOYSA-N -1 3 351.458 3.203 20 0 FGADHM CCc1ccnc(C(=O)N(Cc2ccco2)c2ccccc2-c2nnn[n-]2)c1 ZINC000825728669 608539692 /nfs/dbraw/zinc/53/96/92/608539692.db2.gz VJTSKRSLRLRKNZ-UHFFFAOYSA-N -1 3 374.404 3.264 20 0 FGADHM CCc1ccnc(C(=O)N(Cc2ccco2)c2ccccc2-c2nn[n-]n2)c1 ZINC000825728669 608539694 /nfs/dbraw/zinc/53/96/94/608539694.db2.gz VJTSKRSLRLRKNZ-UHFFFAOYSA-N -1 3 374.404 3.264 20 0 FGADHM CC(C)(F)C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000824162768 608543638 /nfs/dbraw/zinc/54/36/38/608543638.db2.gz NIAFNOKMCIMXCW-UHFFFAOYSA-N -1 3 359.336 3.485 20 0 FGADHM CC(C)(F)C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000824162768 608543640 /nfs/dbraw/zinc/54/36/40/608543640.db2.gz NIAFNOKMCIMXCW-UHFFFAOYSA-N -1 3 359.336 3.485 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CCCC[C@H]1c1cn[nH]c1 ZINC000826452105 608549608 /nfs/dbraw/zinc/54/96/08/608549608.db2.gz HUPHSSFPGVFNSN-AWEZNQCLSA-N -1 3 372.820 3.002 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CCCC[C@H]1c1cn[nH]c1 ZINC000826452105 608549609 /nfs/dbraw/zinc/54/96/09/608549609.db2.gz HUPHSSFPGVFNSN-AWEZNQCLSA-N -1 3 372.820 3.002 20 0 FGADHM O=C(c1ccc(Cl)c(-c2nnn[n-]2)c1)N(CC(F)(F)F)C1CCCC1 ZINC000826472541 608577243 /nfs/dbraw/zinc/57/72/43/608577243.db2.gz NTTMKUAHNMMRPJ-UHFFFAOYSA-N -1 3 373.766 3.467 20 0 FGADHM O=C(c1ccc(Cl)c(-c2nn[n-]n2)c1)N(CC(F)(F)F)C1CCCC1 ZINC000826472541 608577244 /nfs/dbraw/zinc/57/72/44/608577244.db2.gz NTTMKUAHNMMRPJ-UHFFFAOYSA-N -1 3 373.766 3.467 20 0 FGADHM Cc1cnc([C@H](NC(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)C2CC2)s1 ZINC000826317367 608577532 /nfs/dbraw/zinc/57/75/32/608577532.db2.gz AJHUKECPIVBXBH-CYBMUJFWSA-N -1 3 374.857 3.166 20 0 FGADHM Cc1cnc([C@H](NC(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)C2CC2)s1 ZINC000826317367 608577533 /nfs/dbraw/zinc/57/75/33/608577533.db2.gz AJHUKECPIVBXBH-CYBMUJFWSA-N -1 3 374.857 3.166 20 0 FGADHM Cc1ccc(C)c(C(=O)CCC(=O)OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826284638 608580208 /nfs/dbraw/zinc/58/02/08/608580208.db2.gz ZWUNXUAPLYLCAO-UHFFFAOYSA-N -1 3 364.405 3.190 20 0 FGADHM Cc1ccc(C)c(C(=O)CCC(=O)OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826284638 608580210 /nfs/dbraw/zinc/58/02/10/608580210.db2.gz ZWUNXUAPLYLCAO-UHFFFAOYSA-N -1 3 364.405 3.190 20 0 FGADHM CCc1nnc(Nc2cc(C)n([C@@H](C)CC)n2)c(-c2nnn[n-]2)c1CC ZINC000825771797 608587271 /nfs/dbraw/zinc/58/72/71/608587271.db2.gz SBNPQPPISNZRRR-JTQLQIEISA-N -1 3 355.450 3.001 20 0 FGADHM CCc1nnc(Nc2cc(C)n([C@@H](C)CC)n2)c(-c2nn[n-]n2)c1CC ZINC000825771797 608587272 /nfs/dbraw/zinc/58/72/72/608587272.db2.gz SBNPQPPISNZRRR-JTQLQIEISA-N -1 3 355.450 3.001 20 0 FGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)[C@@H]1CCc2c1cccc2Cl ZINC000826441394 608589852 /nfs/dbraw/zinc/58/98/52/608589852.db2.gz BUYMGRTXTFJXOZ-CQSZACIVSA-N -1 3 371.803 3.005 20 0 FGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)[C@@H]1CCc2c1cccc2Cl ZINC000826441394 608589853 /nfs/dbraw/zinc/58/98/53/608589853.db2.gz BUYMGRTXTFJXOZ-CQSZACIVSA-N -1 3 371.803 3.005 20 0 FGADHM CC(C)Oc1ccc(NC(=O)N2C[C@@H](C)CC[C@H]2C)cc1-c1nnn[n-]1 ZINC000824907558 608607724 /nfs/dbraw/zinc/60/77/24/608607724.db2.gz IYCRUAOXTPTOSI-QWHCGFSZSA-N -1 3 358.446 3.306 20 0 FGADHM CC(C)Oc1ccc(NC(=O)N2C[C@@H](C)CC[C@H]2C)cc1-c1nn[n-]n1 ZINC000824907558 608607726 /nfs/dbraw/zinc/60/77/26/608607726.db2.gz IYCRUAOXTPTOSI-QWHCGFSZSA-N -1 3 358.446 3.306 20 0 FGADHM CN(Cc1csc(Br)c1)Cc1ccc(-c2nnn[n-]2)s1 ZINC000825991853 608614677 /nfs/dbraw/zinc/61/46/77/608614677.db2.gz JLNFCQJUFCPONI-UHFFFAOYSA-N -1 3 370.301 3.384 20 0 FGADHM CN(Cc1csc(Br)c1)Cc1ccc(-c2nn[n-]n2)s1 ZINC000825991853 608614679 /nfs/dbraw/zinc/61/46/79/608614679.db2.gz JLNFCQJUFCPONI-UHFFFAOYSA-N -1 3 370.301 3.384 20 0 FGADHM FC(F)(F)[C@@H]1C[C@H](C(F)(F)F)CN(Cc2ccc(-c3nn[n-]n3)o2)C1 ZINC000826367178 608620742 /nfs/dbraw/zinc/62/07/42/608620742.db2.gz ORLHXPFKNLJLBO-OCAPTIKFSA-N -1 3 369.269 3.022 20 0 FGADHM Clc1cccc(OCCNc2cnccc2-c2nnn[n-]2)c1Cl ZINC000826353307 608777154 /nfs/dbraw/zinc/77/71/54/608777154.db2.gz JYDYQPYXLVSMEM-UHFFFAOYSA-N -1 3 351.197 3.059 20 0 FGADHM Clc1cccc(OCCNc2cnccc2-c2nn[n-]n2)c1Cl ZINC000826353307 608777158 /nfs/dbraw/zinc/77/71/58/608777158.db2.gz JYDYQPYXLVSMEM-UHFFFAOYSA-N -1 3 351.197 3.059 20 0 FGADHM Cc1ccc(Cl)cc1N1CC[C@@H](CNc2cnccc2-c2nnn[n-]2)C1 ZINC000826289115 608779610 /nfs/dbraw/zinc/77/96/10/608779610.db2.gz LALUHWXPIUXKOE-ZDUSSCGKSA-N -1 3 369.860 3.162 20 0 FGADHM Cc1ccc(Cl)cc1N1CC[C@@H](CNc2cnccc2-c2nn[n-]n2)C1 ZINC000826289115 608779611 /nfs/dbraw/zinc/77/96/11/608779611.db2.gz LALUHWXPIUXKOE-ZDUSSCGKSA-N -1 3 369.860 3.162 20 0 FGADHM CCc1ccc(NC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1C ZINC000825712413 608820214 /nfs/dbraw/zinc/82/02/14/608820214.db2.gz RBLUSDSGDXFAMK-UHFFFAOYSA-N -1 3 354.389 3.198 20 0 FGADHM CCc1ccc(NC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1C ZINC000825712413 608820216 /nfs/dbraw/zinc/82/02/16/608820216.db2.gz RBLUSDSGDXFAMK-UHFFFAOYSA-N -1 3 354.389 3.198 20 0 FGADHM C/C(=C\c1ccccc1)CN1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000823943390 608851581 /nfs/dbraw/zinc/85/15/81/608851581.db2.gz PNZMWOAJWXPOJE-GRFAERAESA-N -1 3 361.449 3.344 20 0 FGADHM COCCOc1cc(C)ccc1N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826160727 609157908 /nfs/dbraw/zinc/15/79/08/609157908.db2.gz CWHNGLHIYLSZSW-CQSZACIVSA-N -1 3 353.426 3.373 20 0 FGADHM COCCOc1cc(C)ccc1N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826160727 609157910 /nfs/dbraw/zinc/15/79/10/609157910.db2.gz CWHNGLHIYLSZSW-CQSZACIVSA-N -1 3 353.426 3.373 20 0 FGADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)Cc2ccco2)c1-c1nnn[n-]1 ZINC000826233360 609167677 /nfs/dbraw/zinc/16/76/77/609167677.db2.gz DLYZJSGAANLUSW-UHFFFAOYSA-N -1 3 362.393 3.048 20 0 FGADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)Cc2ccco2)c1-c1nn[n-]n1 ZINC000826233360 609167678 /nfs/dbraw/zinc/16/76/78/609167678.db2.gz DLYZJSGAANLUSW-UHFFFAOYSA-N -1 3 362.393 3.048 20 0 FGADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)c2ccc(C)cn2)c1-c1nnn[n-]1 ZINC000826282194 609168577 /nfs/dbraw/zinc/16/85/77/609168577.db2.gz CDQPDZJPBXMQTE-UHFFFAOYSA-N -1 3 373.420 3.230 20 0 FGADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)c2ccc(C)cn2)c1-c1nn[n-]n1 ZINC000826282194 609168578 /nfs/dbraw/zinc/16/85/78/609168578.db2.gz CDQPDZJPBXMQTE-UHFFFAOYSA-N -1 3 373.420 3.230 20 0 FGADHM c1sc(CN[C@H]2CCCc3cn(C4CCCC4)nc32)cc1-c1nnn[n-]1 ZINC000826527016 609172980 /nfs/dbraw/zinc/17/29/80/609172980.db2.gz VWYQQEOJYCXOIF-INIZCTEOSA-N -1 3 369.498 3.407 20 0 FGADHM c1sc(CN[C@H]2CCCc3cn(C4CCCC4)nc32)cc1-c1nn[n-]n1 ZINC000826527016 609172982 /nfs/dbraw/zinc/17/29/82/609172982.db2.gz VWYQQEOJYCXOIF-INIZCTEOSA-N -1 3 369.498 3.407 20 0 FGADHM CCNc1ccc(-c2nn[n-]n2)cc1NCc1ccn(C(CC)CC)n1 ZINC000825480851 609178968 /nfs/dbraw/zinc/17/89/68/609178968.db2.gz NKDNRZBIRMVIKA-UHFFFAOYSA-N -1 3 354.462 3.468 20 0 FGADHM CC(C)CCCS[C@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O ZINC000824244468 609181764 /nfs/dbraw/zinc/18/17/64/609181764.db2.gz RNQUCSPUALMWOR-LBPRGKRZSA-N -1 3 351.501 3.203 20 0 FGADHM CC(C)CCCS[C@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O ZINC000824244468 609181765 /nfs/dbraw/zinc/18/17/65/609181765.db2.gz RNQUCSPUALMWOR-LBPRGKRZSA-N -1 3 351.501 3.203 20 0 FGADHM O=C(Nc1ccccc1-c1ccccc1)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826456882 609188280 /nfs/dbraw/zinc/18/82/80/609188280.db2.gz CHEPLOWYYICYAS-IBGZPJMESA-N -1 3 371.400 3.206 20 0 FGADHM O=C(Nc1ccccc1-c1ccccc1)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826456882 609188282 /nfs/dbraw/zinc/18/82/82/609188282.db2.gz CHEPLOWYYICYAS-IBGZPJMESA-N -1 3 371.400 3.206 20 0 FGADHM O=C(NCC1(c2cccc(Cl)c2)CCCC1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826434602 609201659 /nfs/dbraw/zinc/20/16/59/609201659.db2.gz RGJSPFJMFTTYDN-UHFFFAOYSA-N -1 3 370.844 3.090 20 0 FGADHM O=C(NCC1(c2cccc(Cl)c2)CCCC1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826434602 609201660 /nfs/dbraw/zinc/20/16/60/609201660.db2.gz RGJSPFJMFTTYDN-UHFFFAOYSA-N -1 3 370.844 3.090 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N[C@H]1CCCOc2cc(F)ccc21 ZINC000826453011 609232712 /nfs/dbraw/zinc/23/27/12/609232712.db2.gz RNOUCVDPUMBZEY-HNNXBMFYSA-N -1 3 368.372 3.041 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N[C@H]1CCCOc2cc(F)ccc21 ZINC000826453011 609232714 /nfs/dbraw/zinc/23/27/14/609232714.db2.gz RNOUCVDPUMBZEY-HNNXBMFYSA-N -1 3 368.372 3.041 20 0 FGADHM C[C@@H](CC1CCCC1)Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1 ZINC000824400134 609241778 /nfs/dbraw/zinc/24/17/78/609241778.db2.gz AOABRYCJCABUCN-AWEZNQCLSA-N -1 3 370.501 3.209 20 0 FGADHM C[C@@H](CC1CCCC1)Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1 ZINC000824400134 609241780 /nfs/dbraw/zinc/24/17/80/609241780.db2.gz AOABRYCJCABUCN-AWEZNQCLSA-N -1 3 370.501 3.209 20 0 FGADHM CC[C@@H](C)Oc1cc(C(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)ccn1 ZINC000825075553 609256221 /nfs/dbraw/zinc/25/62/21/609256221.db2.gz PQGAVEJKQWTOFP-CHWSQXEVSA-N -1 3 367.409 3.357 20 0 FGADHM CC[C@@H](C)Oc1cc(C(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)ccn1 ZINC000825075553 609256223 /nfs/dbraw/zinc/25/62/23/609256223.db2.gz PQGAVEJKQWTOFP-CHWSQXEVSA-N -1 3 367.409 3.357 20 0 FGADHM CCN(C(=O)C=Cc1ccc(O)cc1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367185 609268888 /nfs/dbraw/zinc/26/88/88/609268888.db2.gz KLGLKTSKRKJJSV-YGLIYXGISA-N -1 3 363.421 3.195 20 0 FGADHM CCN(C(=O)C=Cc1ccc(O)cc1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367185 609268889 /nfs/dbraw/zinc/26/88/89/609268889.db2.gz KLGLKTSKRKJJSV-YGLIYXGISA-N -1 3 363.421 3.195 20 0 FGADHM Cc1ccc(C(=O)N(C)C)cc1N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826281295 609275764 /nfs/dbraw/zinc/27/57/64/609275764.db2.gz LTNIAUIHCSSJJR-CYBMUJFWSA-N -1 3 350.426 3.050 20 0 FGADHM Cc1ccc(C(=O)N(C)C)cc1N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826281295 609275766 /nfs/dbraw/zinc/27/57/66/609275766.db2.gz LTNIAUIHCSSJJR-CYBMUJFWSA-N -1 3 350.426 3.050 20 0 FGADHM Fc1cccc(-n2ccc(NCc3cccc(Cl)c3)n2)c1-c1nnn[n-]1 ZINC000826376724 609279209 /nfs/dbraw/zinc/27/92/09/609279209.db2.gz PAWOSAAHZIGPHM-UHFFFAOYSA-N -1 3 369.791 3.457 20 0 FGADHM Fc1cccc(-n2ccc(NCc3ccc(Cl)cc3)n2)c1-c1nnn[n-]1 ZINC000826376606 609279338 /nfs/dbraw/zinc/27/93/38/609279338.db2.gz KWWQHKSHCFDTFI-UHFFFAOYSA-N -1 3 369.791 3.457 20 0 FGADHM C[C@@H](OC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1nc(C2CC2)cs1 ZINC000824716640 609285965 /nfs/dbraw/zinc/28/59/65/609285965.db2.gz ZPCMOOUMIHEENB-SNVBAGLBSA-N -1 3 355.423 3.048 20 0 FGADHM C[C@@H](OC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1nc(C2CC2)cs1 ZINC000824716640 609285967 /nfs/dbraw/zinc/28/59/67/609285967.db2.gz ZPCMOOUMIHEENB-SNVBAGLBSA-N -1 3 355.423 3.048 20 0 FGADHM C[C@@H](NC(=O)c1cc(Cl)cc(Cl)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824515039 609287928 /nfs/dbraw/zinc/28/79/28/609287928.db2.gz RRKYJZMFDYRDEO-MRVPVSSYSA-N -1 3 363.208 3.060 20 0 FGADHM C[C@@H](NC(=O)c1cc(Cl)cc(Cl)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824515039 609287929 /nfs/dbraw/zinc/28/79/29/609287929.db2.gz RRKYJZMFDYRDEO-MRVPVSSYSA-N -1 3 363.208 3.060 20 0 FGADHM C[C@@H]1CSC(SCc2ccc(-c3nnn[n-]3)cc2Br)=N1 ZINC000825012333 609312817 /nfs/dbraw/zinc/31/28/17/609312817.db2.gz HGYOWCXAZFMAKI-SSDOTTSWSA-N -1 3 370.301 3.354 20 0 FGADHM C[C@@H]1CSC(SCc2ccc(-c3nn[n-]n3)cc2Br)=N1 ZINC000825012333 609312820 /nfs/dbraw/zinc/31/28/20/609312820.db2.gz HGYOWCXAZFMAKI-SSDOTTSWSA-N -1 3 370.301 3.354 20 0 FGADHM Cc1ncc(NC(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)cn1 ZINC000826330390 609316904 /nfs/dbraw/zinc/31/69/04/609316904.db2.gz SFDMEPXHAUCHJS-UHFFFAOYSA-N -1 3 373.376 3.010 20 0 FGADHM Cc1ncc(NC(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)cn1 ZINC000826330390 609316905 /nfs/dbraw/zinc/31/69/05/609316905.db2.gz SFDMEPXHAUCHJS-UHFFFAOYSA-N -1 3 373.376 3.010 20 0 FGADHM CC1(C)C[C@H](Nc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)C(C)(C)O1 ZINC000824788856 609318681 /nfs/dbraw/zinc/31/86/81/609318681.db2.gz COYYNAUXWFAVSG-JTQLQIEISA-N -1 3 356.352 3.039 20 0 FGADHM CC1(C)C[C@H](Nc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)C(C)(C)O1 ZINC000824788856 609318682 /nfs/dbraw/zinc/31/86/82/609318682.db2.gz COYYNAUXWFAVSG-JTQLQIEISA-N -1 3 356.352 3.039 20 0 FGADHM COc1ccc(CSCc2ccc3c(c2)COC3)cc1-c1nnn[n-]1 ZINC000826208068 609329457 /nfs/dbraw/zinc/32/94/57/609329457.db2.gz RELYTXZRGMIJDN-UHFFFAOYSA-N -1 3 354.435 3.339 20 0 FGADHM COc1ccc(CSCc2ccc3c(c2)COC3)cc1-c1nn[n-]n1 ZINC000826208068 609329459 /nfs/dbraw/zinc/32/94/59/609329459.db2.gz RELYTXZRGMIJDN-UHFFFAOYSA-N -1 3 354.435 3.339 20 0 FGADHM C[C@H](N[C@H]1CCOc2ccc(F)cc21)c1ccc(-c2nnn[n-]2)cc1F ZINC000824554163 609340872 /nfs/dbraw/zinc/34/08/72/609340872.db2.gz NFHCGTXABMVWRD-QFYYESIMSA-N -1 3 357.364 3.319 20 0 FGADHM C[C@H](N[C@H]1CCOc2ccc(F)cc21)c1ccc(-c2nn[n-]n2)cc1F ZINC000824554163 609340875 /nfs/dbraw/zinc/34/08/75/609340875.db2.gz NFHCGTXABMVWRD-QFYYESIMSA-N -1 3 357.364 3.319 20 0 FGADHM COc1cccc2c1OCC[C@@H]2N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1F ZINC000826217945 609341779 /nfs/dbraw/zinc/34/17/79/609341779.db2.gz JATNRXZMWRXNNY-ZBEGNZNMSA-N -1 3 369.400 3.189 20 0 FGADHM C[C@H](Nc1cnn(Cc2ccccc2)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824662433 609348855 /nfs/dbraw/zinc/34/88/55/609348855.db2.gz KCNOQEINTGHGHC-ZDUSSCGKSA-N -1 3 363.400 3.424 20 0 FGADHM C[C@H](Nc1cnn(Cc2ccccc2)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824662433 609348857 /nfs/dbraw/zinc/34/88/57/609348857.db2.gz KCNOQEINTGHGHC-ZDUSSCGKSA-N -1 3 363.400 3.424 20 0 FGADHM Cc1ccc(C(=O)N(C)C)cc1N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1F ZINC000826281190 609350596 /nfs/dbraw/zinc/35/05/96/609350596.db2.gz HZVOCXIKXHBYBZ-LBPRGKRZSA-N -1 3 368.416 3.189 20 0 FGADHM Cc1ccc(C(=O)N(C)C)cc1N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1F ZINC000826281190 609350597 /nfs/dbraw/zinc/35/05/97/609350597.db2.gz HZVOCXIKXHBYBZ-LBPRGKRZSA-N -1 3 368.416 3.189 20 0 FGADHM CN(Cc1cccs1)Cc1ccc(-c2nnn[n-]2)cc1Br ZINC000825986114 609356480 /nfs/dbraw/zinc/35/64/80/609356480.db2.gz OSZAYOBVALFNOP-UHFFFAOYSA-N -1 3 364.272 3.323 20 0 FGADHM CN(Cc1cccs1)Cc1ccc(-c2nn[n-]n2)cc1Br ZINC000825986114 609356482 /nfs/dbraw/zinc/35/64/82/609356482.db2.gz OSZAYOBVALFNOP-UHFFFAOYSA-N -1 3 364.272 3.323 20 0 FGADHM C[C@H](c1ccco1)N(C)Cc1ccc(-c2nnn[n-]2)cc1Br ZINC000824772086 609358512 /nfs/dbraw/zinc/35/85/12/609358512.db2.gz TYJLTFIPXATQPF-SNVBAGLBSA-N -1 3 362.231 3.415 20 0 FGADHM C[C@H](c1ccco1)N(C)Cc1ccc(-c2nn[n-]n2)cc1Br ZINC000824772086 609358514 /nfs/dbraw/zinc/35/85/14/609358514.db2.gz TYJLTFIPXATQPF-SNVBAGLBSA-N -1 3 362.231 3.415 20 0 FGADHM Cc1occc1CN(C)Cc1ccc(-c2nnn[n-]2)cc1Br ZINC000826342616 609359635 /nfs/dbraw/zinc/35/96/35/609359635.db2.gz SJZXHXFFZBZCPI-UHFFFAOYSA-N -1 3 362.231 3.163 20 0 FGADHM Cc1occc1CN(C)Cc1ccc(-c2nn[n-]n2)cc1Br ZINC000826342616 609359637 /nfs/dbraw/zinc/35/96/37/609359637.db2.gz SJZXHXFFZBZCPI-UHFFFAOYSA-N -1 3 362.231 3.163 20 0 FGADHM CC[C@@H]1C[C@@H](CC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(C)C)CCO1 ZINC000825182948 609380198 /nfs/dbraw/zinc/38/01/98/609380198.db2.gz MRDLZDZHGFJPKB-DZGCQCFKSA-N -1 3 373.457 3.188 20 0 FGADHM CC[C@@H]1C[C@@H](CC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(C)C)CCO1 ZINC000825182948 609380201 /nfs/dbraw/zinc/38/02/01/609380201.db2.gz MRDLZDZHGFJPKB-DZGCQCFKSA-N -1 3 373.457 3.188 20 0 FGADHM CCC(CC)[C@@H]1C[C@@H](NC(=O)Nc2cc(-c3nnn[n-]3)ccc2C)CCO1 ZINC000825106814 609381414 /nfs/dbraw/zinc/38/14/14/609381414.db2.gz IWAZHPFLEGJIPI-RDJZCZTQSA-N -1 3 372.473 3.280 20 0 FGADHM CCC(CC)[C@@H]1C[C@@H](NC(=O)Nc2cc(-c3nn[n-]n3)ccc2C)CCO1 ZINC000825106814 609381416 /nfs/dbraw/zinc/38/14/16/609381416.db2.gz IWAZHPFLEGJIPI-RDJZCZTQSA-N -1 3 372.473 3.280 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc(OC2CCCC2)nc1 ZINC000826278737 609382001 /nfs/dbraw/zinc/38/20/01/609382001.db2.gz QEJIBIKSIAIJIZ-UHFFFAOYSA-N -1 3 364.409 3.144 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(OC2CCCC2)nc1 ZINC000826278737 609382003 /nfs/dbraw/zinc/38/20/03/609382003.db2.gz QEJIBIKSIAIJIZ-UHFFFAOYSA-N -1 3 364.409 3.144 20 0 FGADHM Cc1ccc(-c2ccc(C(=O)Nc3ccc(-c4nnn[n-]4)cn3)s2)o1 ZINC000826273439 609383215 /nfs/dbraw/zinc/38/32/15/609383215.db2.gz DLJUNJULFLVTSZ-UHFFFAOYSA-N -1 3 352.379 3.144 20 0 FGADHM Cc1ccc(-c2ccc(C(=O)Nc3ccc(-c4nn[n-]n4)cn3)s2)o1 ZINC000826273439 609383218 /nfs/dbraw/zinc/38/32/18/609383218.db2.gz DLJUNJULFLVTSZ-UHFFFAOYSA-N -1 3 352.379 3.144 20 0 FGADHM Cc1cc(C)cc(N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)c1 ZINC000826264706 609411373 /nfs/dbraw/zinc/41/13/73/609411373.db2.gz XKXUWXUWKCCZRB-SFHVURJKSA-N -1 3 362.437 3.091 20 0 FGADHM Cc1cc(C)cc(N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)c1 ZINC000826264706 609411376 /nfs/dbraw/zinc/41/13/76/609411376.db2.gz XKXUWXUWKCCZRB-SFHVURJKSA-N -1 3 362.437 3.091 20 0 FGADHM O=C1[C@@H](Sc2ccc(F)cc2)CCCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000826478010 609414461 /nfs/dbraw/zinc/41/44/61/609414461.db2.gz RNHSEAOTSQNTTD-INIZCTEOSA-N -1 3 369.425 3.294 20 0 FGADHM O=C1[C@@H](Sc2ccc(F)cc2)CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826478010 609414464 /nfs/dbraw/zinc/41/44/64/609414464.db2.gz RNHSEAOTSQNTTD-INIZCTEOSA-N -1 3 369.425 3.294 20 0 FGADHM CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000825075893 609420645 /nfs/dbraw/zinc/42/06/45/609420645.db2.gz SOMDDURFLHFSJE-CYBMUJFWSA-N -1 3 351.410 3.398 20 0 FGADHM CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825075893 609420646 /nfs/dbraw/zinc/42/06/46/609420646.db2.gz SOMDDURFLHFSJE-CYBMUJFWSA-N -1 3 351.410 3.398 20 0 FGADHM Cc1c(NCc2nn(-c3ccccc3)c3c2CCC3)cccc1-c1nnn[n-]1 ZINC000826243091 609440549 /nfs/dbraw/zinc/44/05/49/609440549.db2.gz TZFGOUYGEIZYGV-UHFFFAOYSA-N -1 3 371.448 3.462 20 0 FGADHM Cc1c(NCc2nn(-c3ccccc3)c3c2CCC3)cccc1-c1nn[n-]n1 ZINC000826243091 609440552 /nfs/dbraw/zinc/44/05/52/609440552.db2.gz TZFGOUYGEIZYGV-UHFFFAOYSA-N -1 3 371.448 3.462 20 0 FGADHM Clc1ccc(-n2ccc(NCCc3cccs3)n2)c(-c2nnn[n-]2)c1 ZINC000826351711 609446595 /nfs/dbraw/zinc/44/65/95/609446595.db2.gz XJLFOFTXRCYPOM-UHFFFAOYSA-N -1 3 371.857 3.422 20 0 FGADHM Clc1ccc(-n2ccc(NCCc3cccs3)n2)c(-c2nn[n-]n2)c1 ZINC000826351711 609446598 /nfs/dbraw/zinc/44/65/98/609446598.db2.gz XJLFOFTXRCYPOM-UHFFFAOYSA-N -1 3 371.857 3.422 20 0 FGADHM O=C(NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1)N1CC=CCC1 ZINC000826442170 609451546 /nfs/dbraw/zinc/45/15/46/609451546.db2.gz LMFVZVQHULVDIZ-UHFFFAOYSA-N -1 3 366.450 3.067 20 0 FGADHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N(Cc1ccsc1)c1ccccc1 ZINC000826469037 609453708 /nfs/dbraw/zinc/45/37/08/609453708.db2.gz RSQDLIRTEIKFIB-UHFFFAOYSA-N -1 3 350.407 3.103 20 0 FGADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N(Cc1ccsc1)c1ccccc1 ZINC000826469037 609453710 /nfs/dbraw/zinc/45/37/10/609453710.db2.gz RSQDLIRTEIKFIB-UHFFFAOYSA-N -1 3 350.407 3.103 20 0 FGADHM Clc1cccc2c1CC[C@@H]2Nc1nc2ccccn2c1-c1nnn[n-]1 ZINC000826353633 609464871 /nfs/dbraw/zinc/46/48/71/609464871.db2.gz XPBCDPRGNAXNIY-ZDUSSCGKSA-N -1 3 351.801 3.267 20 0 FGADHM Clc1cccc2c1CC[C@@H]2Nc1nc2ccccn2c1-c1nn[n-]n1 ZINC000826353633 609464873 /nfs/dbraw/zinc/46/48/73/609464873.db2.gz XPBCDPRGNAXNIY-ZDUSSCGKSA-N -1 3 351.801 3.267 20 0 FGADHM Fc1c(CNc2cccc(OC[C@H]3CCCO3)c2)cccc1-c1nnn[n-]1 ZINC000826370869 609476858 /nfs/dbraw/zinc/47/68/58/609476858.db2.gz KFLWHHJJKBBJDI-MRXNPFEDSA-N -1 3 369.400 3.176 20 0 FGADHM Fc1c(CNc2cccc(OC[C@H]3CCCO3)c2)cccc1-c1nn[n-]n1 ZINC000826370869 609476860 /nfs/dbraw/zinc/47/68/60/609476860.db2.gz KFLWHHJJKBBJDI-MRXNPFEDSA-N -1 3 369.400 3.176 20 0 FGADHM CCN(C(=O)C=Cc1cnccc1C)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825366553 609480378 /nfs/dbraw/zinc/48/03/78/609480378.db2.gz BUZHQAWQDHCYTK-FJVVXJACSA-N -1 3 362.437 3.193 20 0 FGADHM CCN(C(=O)C=Cc1cnccc1C)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825366553 609480379 /nfs/dbraw/zinc/48/03/79/609480379.db2.gz BUZHQAWQDHCYTK-FJVVXJACSA-N -1 3 362.437 3.193 20 0 FGADHM C[C@@H]1CCC[C@H]1C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000824926658 609486869 /nfs/dbraw/zinc/48/68/69/609486869.db2.gz KSHNLLGLDYWRMI-MLGOLLRUSA-N -1 3 364.409 3.429 20 0 FGADHM C[C@@H]1CCC[C@H]1C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000824926658 609486872 /nfs/dbraw/zinc/48/68/72/609486872.db2.gz KSHNLLGLDYWRMI-MLGOLLRUSA-N -1 3 364.409 3.429 20 0 FGADHM c1cc(-c2nnn[n-]2)ccc1COc1ncnc2sc3c(c21)CCCC3 ZINC000826527075 609489360 /nfs/dbraw/zinc/48/93/60/609489360.db2.gz YDXHOJYYPUMLQU-UHFFFAOYSA-N -1 3 364.434 3.329 20 0 FGADHM c1cc(-c2nn[n-]n2)ccc1COc1ncnc2sc3c(c21)CCCC3 ZINC000826527075 609489362 /nfs/dbraw/zinc/48/93/62/609489362.db2.gz YDXHOJYYPUMLQU-UHFFFAOYSA-N -1 3 364.434 3.329 20 0 FGADHM O=C(Nc1sc(-c2ccccc2)cc1-c1nnn[n-]1)c1ccc(F)cn1 ZINC000826460417 609491426 /nfs/dbraw/zinc/49/14/26/609491426.db2.gz BURYCPKYDUXELP-UHFFFAOYSA-N -1 3 366.381 3.382 20 0 FGADHM O=C(Nc1sc(-c2ccccc2)cc1-c1nn[n-]n1)c1ccc(F)cn1 ZINC000826460417 609491430 /nfs/dbraw/zinc/49/14/30/609491430.db2.gz BURYCPKYDUXELP-UHFFFAOYSA-N -1 3 366.381 3.382 20 0 FGADHM O=C(Cc1ccncc1)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826423777 609501586 /nfs/dbraw/zinc/50/15/86/609501586.db2.gz GCZWAYWGMMRUCO-UHFFFAOYSA-N -1 3 372.388 3.235 20 0 FGADHM O=C(Cc1ccncc1)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826423777 609501589 /nfs/dbraw/zinc/50/15/89/609501589.db2.gz GCZWAYWGMMRUCO-UHFFFAOYSA-N -1 3 372.388 3.235 20 0 FGADHM Cc1ccc(C(C)C)cc1OS(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000826283122 609506617 /nfs/dbraw/zinc/50/66/17/609506617.db2.gz KXIFXTXXZCFRCU-UHFFFAOYSA-N -1 3 372.450 3.207 20 0 FGADHM Cc1ccc(C(C)C)cc1OS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826283122 609506620 /nfs/dbraw/zinc/50/66/20/609506620.db2.gz KXIFXTXXZCFRCU-UHFFFAOYSA-N -1 3 372.450 3.207 20 0 FGADHM CCOC(=O)c1sc(NC(=O)[C@H](C)[C@@H](C)CC)c(-c2nnn[n-]2)c1C ZINC000825576019 609508456 /nfs/dbraw/zinc/50/84/56/609508456.db2.gz BJFQACFLFIKCMJ-DTWKUNHWSA-N -1 3 365.459 3.034 20 0 FGADHM CCOC(=O)c1sc(NC(=O)[C@H](C)[C@@H](C)CC)c(-c2nn[n-]n2)c1C ZINC000825576019 609508458 /nfs/dbraw/zinc/50/84/58/609508458.db2.gz BJFQACFLFIKCMJ-DTWKUNHWSA-N -1 3 365.459 3.034 20 0 FGADHM CC(C)OCCCC(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000824308993 609508908 /nfs/dbraw/zinc/50/89/08/609508908.db2.gz DCZZJBPMZWZRKV-UHFFFAOYSA-N -1 3 372.454 3.134 20 0 FGADHM CC(C)OCCCC(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000824308993 609508909 /nfs/dbraw/zinc/50/89/09/609508909.db2.gz DCZZJBPMZWZRKV-UHFFFAOYSA-N -1 3 372.454 3.134 20 0 FGADHM C[C@H](C(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1)c1ccccc1 ZINC000826232019 609510540 /nfs/dbraw/zinc/51/05/40/609510540.db2.gz DQCNTXJMPRQXKU-HNNXBMFYSA-N -1 3 359.433 3.286 20 0 FGADHM C[C@H](C(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1)c1ccccc1 ZINC000826232019 609510543 /nfs/dbraw/zinc/51/05/43/609510543.db2.gz DQCNTXJMPRQXKU-HNNXBMFYSA-N -1 3 359.433 3.286 20 0 FGADHM CCC[C@H]1C[C@@H](C(=O)N(CCC)Cc2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000825251858 609523761 /nfs/dbraw/zinc/52/37/61/609523761.db2.gz DYFVXRLWJCUAQK-ROUUACIJSA-N -1 3 371.485 3.201 20 0 FGADHM CCC[C@H]1C[C@@H](C(=O)N(CCC)Cc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000825251858 609523762 /nfs/dbraw/zinc/52/37/62/609523762.db2.gz DYFVXRLWJCUAQK-ROUUACIJSA-N -1 3 371.485 3.201 20 0 FGADHM COc1ccc([C@H](C)Nc2ncc(Cl)c(C)c2-c2nnn[n-]2)cc1OC ZINC000826188657 609535966 /nfs/dbraw/zinc/53/59/66/609535966.db2.gz CHVLMKDSUMBGRX-JTQLQIEISA-N -1 3 374.832 3.414 20 0 FGADHM COc1ccc([C@H](C)Nc2ncc(Cl)c(C)c2-c2nn[n-]n2)cc1OC ZINC000826188657 609535968 /nfs/dbraw/zinc/53/59/68/609535968.db2.gz CHVLMKDSUMBGRX-JTQLQIEISA-N -1 3 374.832 3.414 20 0 FGADHM Cc1ccnc(NC[C@H]2CCCO[C@H]2c2ccccc2)c1-c1nnn[n-]1 ZINC000826313701 609540579 /nfs/dbraw/zinc/54/05/79/609540579.db2.gz QHXYMWJTMONDGX-WBVHZDCISA-N -1 3 350.426 3.150 20 0 FGADHM Cc1ccnc(NC[C@H]2CCCO[C@H]2c2ccccc2)c1-c1nn[n-]n1 ZINC000826313701 609540580 /nfs/dbraw/zinc/54/05/80/609540580.db2.gz QHXYMWJTMONDGX-WBVHZDCISA-N -1 3 350.426 3.150 20 0 FGADHM Cc1ccccc1CC1CN(c2ncc(Cl)c(C)c2-c2nnn[n-]2)C1 ZINC000826307192 609575329 /nfs/dbraw/zinc/57/53/29/609575329.db2.gz YNXBRZPIOQKGNA-UHFFFAOYSA-N -1 3 354.845 3.211 20 0 FGADHM Cc1ccccc1CC1CN(c2ncc(Cl)c(C)c2-c2nn[n-]n2)C1 ZINC000826307192 609575331 /nfs/dbraw/zinc/57/53/31/609575331.db2.gz YNXBRZPIOQKGNA-UHFFFAOYSA-N -1 3 354.845 3.211 20 0 FGADHM Cc1c(Cl)cnc(N2CCOC3(C2)CCCCCC3)c1-c1nnn[n-]1 ZINC000826238370 609576994 /nfs/dbraw/zinc/57/69/94/609576994.db2.gz DWMACUMLZLTCHA-UHFFFAOYSA-N -1 3 362.865 3.153 20 0 FGADHM Cc1c(Cl)cnc(N2CCOC3(C2)CCCCCC3)c1-c1nn[n-]n1 ZINC000826238370 609576995 /nfs/dbraw/zinc/57/69/95/609576995.db2.gz DWMACUMLZLTCHA-UHFFFAOYSA-N -1 3 362.865 3.153 20 0 FGADHM C[C@@H]1C[C@H](C(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)CC(C)(C)C1 ZINC000824865729 609599761 /nfs/dbraw/zinc/59/97/61/609599761.db2.gz JFEOXQIVRQJBAK-HIFRSBDPSA-N -1 3 353.470 3.434 20 0 FGADHM C[C@@H]1C[C@H](C(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)CC(C)(C)C1 ZINC000824865729 609599764 /nfs/dbraw/zinc/59/97/64/609599764.db2.gz JFEOXQIVRQJBAK-HIFRSBDPSA-N -1 3 353.470 3.434 20 0 FGADHM Cc1cc(C)c(-c2nnn[n-]2)c(N2CC=C(c3ccc(F)cc3)CC2)n1 ZINC000826262557 609604841 /nfs/dbraw/zinc/60/48/41/609604841.db2.gz RYVYEPGMPIGSPR-UHFFFAOYSA-N -1 3 350.401 3.311 20 0 FGADHM Cc1cc(C)c(-c2nn[n-]n2)c(N2CC=C(c3ccc(F)cc3)CC2)n1 ZINC000826262557 609604843 /nfs/dbraw/zinc/60/48/43/609604843.db2.gz RYVYEPGMPIGSPR-UHFFFAOYSA-N -1 3 350.401 3.311 20 0 FGADHM CC[C@H](OC1CCCC1)C(=O)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000825152585 609614286 /nfs/dbraw/zinc/61/42/86/609614286.db2.gz CBPKGRFCQQCACA-HNNXBMFYSA-N -1 3 364.833 3.301 20 0 FGADHM CC[C@H](OC1CCCC1)C(=O)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000825152585 609614287 /nfs/dbraw/zinc/61/42/87/609614287.db2.gz CBPKGRFCQQCACA-HNNXBMFYSA-N -1 3 364.833 3.301 20 0 FGADHM CCC[C@H]1C[C@@H](C(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)CCO1 ZINC000825253906 609615996 /nfs/dbraw/zinc/61/59/96/609615996.db2.gz PMAVDELGFXYXLH-FZMZJTMJSA-N -1 3 364.833 3.159 20 0 FGADHM CCC[C@H]1C[C@@H](C(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)CCO1 ZINC000825253906 609615997 /nfs/dbraw/zinc/61/59/97/609615997.db2.gz PMAVDELGFXYXLH-FZMZJTMJSA-N -1 3 364.833 3.159 20 0 FGADHM O=C(OCc1ccc(Cl)cc1-c1nnn[n-]1)c1scnc1C1CC1 ZINC000826465380 609617617 /nfs/dbraw/zinc/61/76/17/609617617.db2.gz KPSBALSCJKGWGD-UHFFFAOYSA-N -1 3 361.814 3.211 20 0 FGADHM O=C(OCc1ccc(Cl)cc1-c1nn[n-]n1)c1scnc1C1CC1 ZINC000826465380 609617618 /nfs/dbraw/zinc/61/76/18/609617618.db2.gz KPSBALSCJKGWGD-UHFFFAOYSA-N -1 3 361.814 3.211 20 0 FGADHM COc1ccc([C@@H](C)C(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)cc1 ZINC000826188206 609618511 /nfs/dbraw/zinc/61/85/11/609618511.db2.gz QKWNLJJDEHSAJQ-LLVKDONJSA-N -1 3 372.812 3.376 20 0 FGADHM COc1ccc([C@@H](C)C(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)cc1 ZINC000826188206 609618513 /nfs/dbraw/zinc/61/85/13/609618513.db2.gz QKWNLJJDEHSAJQ-LLVKDONJSA-N -1 3 372.812 3.376 20 0 FGADHM Cc1ccc(SCC(=O)N[N-]C(=O)c2ccc(F)cc2Cl)cc1 ZINC000012673049 695607366 /nfs/dbraw/zinc/60/73/66/695607366.db2.gz DVIFWMTVWPZZEC-UHFFFAOYSA-N -1 3 352.818 3.341 20 0 FGADHM CS(=O)(=O)[N-]c1ccc(C(=O)OCc2nc3ccccc3s2)cc1 ZINC000012990122 695608727 /nfs/dbraw/zinc/60/87/27/695608727.db2.gz TXXYQLMQCVLQGL-UHFFFAOYSA-N -1 3 362.432 3.025 20 0 FGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1cc2cc(Cl)ccc2[nH]1 ZINC000024896273 695670999 /nfs/dbraw/zinc/67/09/99/695670999.db2.gz KUPKRAZXGFLEAG-UHFFFAOYSA-N -1 3 363.826 3.445 20 0 FGADHM Cc1oc2ncn(C)c(=O)c2c1C(=O)[N-]c1ccccc1SC(F)F ZINC000028249723 695702006 /nfs/dbraw/zinc/70/20/06/695702006.db2.gz OZWXGTPRGISLET-UHFFFAOYSA-N -1 3 365.361 3.402 20 0 FGADHM O=S(=O)([N-]Cc1ccnc(OC2CCCC2)c1)c1ccc(F)cc1F ZINC000030421492 695722792 /nfs/dbraw/zinc/72/27/92/695722792.db2.gz YUEASSUUMLPRKQ-UHFFFAOYSA-N -1 3 368.405 3.160 20 0 FGADHM Cc1nc(C2([N-]S(=O)(=O)c3ccc(Cl)cc3C)CCCCC2)no1 ZINC000032418029 695744667 /nfs/dbraw/zinc/74/46/67/695744667.db2.gz HBCHJFHUHZBVSN-UHFFFAOYSA-N -1 3 369.874 3.478 20 0 FGADHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]C[C@H]1C[C@H]1C ZINC000032474218 695745665 /nfs/dbraw/zinc/74/56/65/695745665.db2.gz IRKRERCMPDQJMG-HTQZYQBOSA-N -1 3 368.680 3.045 20 0 FGADHM Cc1ccccc1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000046113859 695833269 /nfs/dbraw/zinc/83/32/69/695833269.db2.gz DIJRJDSZSXELOB-UHFFFAOYSA-N -1 3 350.415 3.073 20 0 FGADHM CCOc1ccc([C@@H](C)[N-]S(=O)(=O)c2c(F)cccc2F)cc1OC ZINC000047607888 695863136 /nfs/dbraw/zinc/86/31/36/695863136.db2.gz ITOPCSLXUXGTTF-LLVKDONJSA-N -1 3 371.405 3.412 20 0 FGADHM O=C(NCC1(Sc2ccccc2)CC1)N[N-]C(=O)c1ccccc1F ZINC000069507822 695950140 /nfs/dbraw/zinc/95/01/40/695950140.db2.gz CYKQSDQWXYFREN-UHFFFAOYSA-N -1 3 359.426 3.095 20 0 FGADHM O=S(=O)([N-]CC1CCC(C(F)(F)F)CC1)c1cccnc1Cl ZINC000074979967 700203051 /nfs/dbraw/zinc/20/30/51/700203051.db2.gz KRSIXDSBXZAPSZ-UHFFFAOYSA-N -1 3 356.797 3.382 20 0 FGADHM COc1ccc(C(=O)N2C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)c([O-])c1 ZINC000075547625 700213558 /nfs/dbraw/zinc/21/35/58/700213558.db2.gz DZDXGLWCBRMOBD-UWVGGRQHSA-N -1 3 357.250 3.214 20 0 FGADHM CCc1ccc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000076195171 700227216 /nfs/dbraw/zinc/22/72/16/700227216.db2.gz ZAJDTCGTUVFRFJ-UHFFFAOYSA-N -1 3 364.442 3.026 20 0 FGADHM CCc1ncc(CN(CC(=O)OC)Cc2cc(Cl)ccc2[O-])s1 ZINC000093276999 700449323 /nfs/dbraw/zinc/44/93/23/700449323.db2.gz FHHFDLZJVDIMMV-UHFFFAOYSA-N -1 3 354.859 3.240 20 0 FGADHM O=C(CCC1CCCCC1)[N-]OCC(=O)N1CCc2sccc2C1 ZINC000106437154 700508562 /nfs/dbraw/zinc/50/85/62/700508562.db2.gz RUBYVQQJWKCYAD-UHFFFAOYSA-N -1 3 350.484 3.041 20 0 FGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCCC[C@H]2C(C)C)ccc1F ZINC000117195466 700601291 /nfs/dbraw/zinc/60/12/91/700601291.db2.gz SRGZOKSXVWGLJK-INIZCTEOSA-N -1 3 370.490 3.163 20 0 FGADHM CCCc1ccc(S(=O)(=O)[N-]c2ccc(CNC(=O)OC)cc2)cc1 ZINC000117230441 700602016 /nfs/dbraw/zinc/60/20/16/700602016.db2.gz HQZIASZNFSISCM-UHFFFAOYSA-N -1 3 362.451 3.296 20 0 FGADHM O=S(=O)([N-]C1CCN(c2cccs2)CC1)c1cccc(Cl)c1F ZINC000119328390 700625571 /nfs/dbraw/zinc/62/55/71/700625571.db2.gz UBLYUMKZTJFFCH-UHFFFAOYSA-N -1 3 374.890 3.488 20 0 FGADHM CC(C)(C)OC(=O)NC(C)(C)C(=O)Nc1ccc(Br)cc1[O-] ZINC000123609736 700707306 /nfs/dbraw/zinc/70/73/06/700707306.db2.gz KEVWUIZMNXSFEZ-UHFFFAOYSA-N -1 3 373.247 3.397 20 0 FGADHM COc1ccc(C(F)(F)C(=O)[N-]Cc2nc(-c3cccs3)no2)cc1 ZINC000123840111 700711007 /nfs/dbraw/zinc/71/10/07/700711007.db2.gz WLSBOUKTIXCCPD-UHFFFAOYSA-N -1 3 365.361 3.215 20 0 FGADHM Cc1noc(C)c1[C@H](C)NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000124846405 700726028 /nfs/dbraw/zinc/72/60/28/700726028.db2.gz CKUATMPLUIKSKZ-QMMMGPOBSA-N -1 3 368.231 3.320 20 0 FGADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]CCC1CCC1 ZINC000126122869 700744050 /nfs/dbraw/zinc/74/40/50/700744050.db2.gz IVDPTJFPBIOLFE-UHFFFAOYSA-N -1 3 353.465 3.156 20 0 FGADHM Cc1ccc(CC(=O)[N-]OCc2nnc(-c3ccc(Cl)cc3)o2)cc1 ZINC000132133289 700823981 /nfs/dbraw/zinc/82/39/81/700823981.db2.gz DYFAOPXDSVITRK-UHFFFAOYSA-N -1 3 357.797 3.489 20 0 FGADHM NC(=O)c1csc(C(=O)[N-]c2nnc(-c3ccc(Cl)cc3)s2)c1 ZINC000134272644 704818910 /nfs/dbraw/zinc/81/89/10/704818910.db2.gz OPNTXEKYULVNRQ-UHFFFAOYSA-N -1 3 364.839 3.271 20 0 FGADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1csc(-c2cccs2)n1 ZINC000135574381 704849795 /nfs/dbraw/zinc/84/97/95/704849795.db2.gz CWHGKBBXMVQDFT-UHFFFAOYSA-N -1 3 368.447 3.228 20 0 FGADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1csc(-c2cccs2)n1 ZINC000135574381 704849802 /nfs/dbraw/zinc/84/98/02/704849802.db2.gz CWHGKBBXMVQDFT-UHFFFAOYSA-N -1 3 368.447 3.228 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)nc1)c1ncc(-c2ccccc2)o1 ZINC000151566208 704928850 /nfs/dbraw/zinc/92/88/50/704928850.db2.gz VOUJMUAYQQSMRW-LLVKDONJSA-N -1 3 363.826 3.430 20 0 FGADHM CC(C)CO[N-]C(=O)CCc1nc(-c2cc(Br)cs2)no1 ZINC000153511020 705002210 /nfs/dbraw/zinc/00/22/10/705002210.db2.gz UPVJUWASUFCRAT-UHFFFAOYSA-N -1 3 374.260 3.197 20 0 FGADHM O=C([N-]CCCN1CCSC[C@@H]1c1ccc(Cl)cc1)C(F)(F)F ZINC000154836718 705050951 /nfs/dbraw/zinc/05/09/51/705050951.db2.gz DWIWTEWRSXLLBA-CYBMUJFWSA-N -1 3 366.836 3.499 20 0 FGADHM O=C(NCc1ccc([O-])c(Br)c1)NOCc1ccccc1 ZINC000157758395 705162975 /nfs/dbraw/zinc/16/29/75/705162975.db2.gz JVMZPWCYEFVJAF-UHFFFAOYSA-N -1 3 351.200 3.086 20 0 FGADHM O=S(=O)([N-]C[C@@H](O)c1cccc(F)c1)c1cccc(Cl)c1Cl ZINC000160087539 705243676 /nfs/dbraw/zinc/24/36/76/705243676.db2.gz WALDOZKKRRBGMK-GFCCVEGCSA-N -1 3 364.225 3.144 20 0 FGADHM Cc1n[nH]c(C)c1[N-]S(=O)(=O)/C=C/c1cccc(Br)c1 ZINC000161762292 705282260 /nfs/dbraw/zinc/28/22/60/705282260.db2.gz BJYRRWMMBHQEMO-VOTSOKGWSA-N -1 3 356.245 3.202 20 0 FGADHM O=S(=O)([N-]C[C@@]1(O)CCc2ccccc21)c1cccc(Cl)c1Cl ZINC000162167510 705290765 /nfs/dbraw/zinc/29/07/65/705290765.db2.gz XZBLSGOJZVAINP-INIZCTEOSA-N -1 3 372.273 3.106 20 0 FGADHM C[C@@H](Cc1cccs1)[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000170660495 705355440 /nfs/dbraw/zinc/35/54/40/705355440.db2.gz RHBMYFKXRLUHNY-QMMMGPOBSA-N -1 3 351.280 3.359 20 0 FGADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]C(C)(C)CCc1ccccc1 ZINC000171118591 705375069 /nfs/dbraw/zinc/37/50/69/705375069.db2.gz FENSTDFWQQLEFZ-UHFFFAOYSA-N -1 3 355.891 3.072 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)nc1Cl)c1c(C)noc1C ZINC000179316408 705697148 /nfs/dbraw/zinc/69/71/48/705697148.db2.gz BVAZSEQWTKSEEO-VIFPVBQESA-N -1 3 364.254 3.423 20 0 FGADHM CCCCC[C@@H](C)[N-]S(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl ZINC000179907405 705720642 /nfs/dbraw/zinc/72/06/42/705720642.db2.gz JMHQUFHONBYCOS-SECBINFHSA-N -1 3 373.949 3.052 20 0 FGADHM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)OCO3)ccc1N1CCCC1 ZINC000180156560 705730142 /nfs/dbraw/zinc/73/01/42/705730142.db2.gz OUDFROJANBIORY-UHFFFAOYSA-N -1 3 360.435 3.125 20 0 FGADHM O=C(NN=c1ccc(Cl)n[n-]1)N[C@@H]1CCCOc2cc(Cl)ccc21 ZINC000181224675 705779134 /nfs/dbraw/zinc/77/91/34/705779134.db2.gz IPTQWRWAPBHEEJ-LLVKDONJSA-N -1 3 368.224 3.323 20 0 FGADHM CCO[C@@H]1C[C@H](Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)C1(CC)CC ZINC000182735652 705859442 /nfs/dbraw/zinc/85/94/42/705859442.db2.gz YNWOHKBSRTYQJJ-DLBZAZTESA-N -1 3 370.515 3.462 20 0 FGADHM CSc1ccc(Cl)cc1NC(=O)N[N-]C(=O)c1ncccc1C ZINC000184620665 712673815 /nfs/dbraw/zinc/67/38/15/712673815.db2.gz HTGLPLDYXGLPAJ-UHFFFAOYSA-N -1 3 350.831 3.232 20 0 FGADHM Cc1cccnc1C(=O)[N-]NC(=O)Nc1cc(Cl)c(C)c(Cl)c1 ZINC000184634968 712673974 /nfs/dbraw/zinc/67/39/74/712673974.db2.gz IRXCGUJLUCNELV-UHFFFAOYSA-N -1 3 353.209 3.472 20 0 FGADHM O=C(c1cccc(O)c1[O-])N(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000185902689 712704650 /nfs/dbraw/zinc/70/46/50/712704650.db2.gz LNPRJFGMEFCKAV-UHFFFAOYSA-N -1 3 356.205 3.039 20 0 FGADHM Cc1csc([C@@H](C)C[N-]S(=O)(=O)c2ccc(Cl)nc2Cl)n1 ZINC000186471290 712720220 /nfs/dbraw/zinc/72/02/20/712720220.db2.gz IYNOTZREHSVCLJ-ZETCQYMHSA-N -1 3 366.295 3.235 20 0 FGADHM C[C@@H]1CCCCN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)C1 ZINC000186879542 712727718 /nfs/dbraw/zinc/72/77/18/712727718.db2.gz MBVCNUMEMPPMGL-CYBMUJFWSA-N -1 3 370.490 3.165 20 0 FGADHM C[C@@H](C(=O)Nc1cc(Cl)ccc1[O-])C1CN(C(=O)OC(C)(C)C)C1 ZINC000186998414 712730463 /nfs/dbraw/zinc/73/04/63/712730463.db2.gz JINUJHCFWZUVPR-SNVBAGLBSA-N -1 3 354.834 3.487 20 0 FGADHM COC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2F)cc1 ZINC000187201798 712735672 /nfs/dbraw/zinc/73/56/72/712735672.db2.gz OGKXVFKWFLFBCJ-UHFFFAOYSA-N -1 3 358.778 3.458 20 0 FGADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000189076681 712785661 /nfs/dbraw/zinc/78/56/61/712785661.db2.gz ZDJUJMHAMDQANK-LSDHHAIUSA-N -1 3 367.902 3.072 20 0 FGADHM O=C(c1cccc(O)c1[O-])N1CCN(c2c(Cl)cccc2Cl)CC1 ZINC000193166063 712883863 /nfs/dbraw/zinc/88/38/63/712883863.db2.gz PJIKKHQJUVKSCF-UHFFFAOYSA-N -1 3 367.232 3.367 20 0 FGADHM O=S(=O)(Cc1ccc(Br)cc1)[N-]c1cnc(C2CC2)nc1 ZINC000194699375 713531114 /nfs/dbraw/zinc/53/11/14/713531114.db2.gz AOTVKGRXPJLWBS-UHFFFAOYSA-N -1 3 368.256 3.058 20 0 FGADHM CO[C@H](C)CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000195427108 713556135 /nfs/dbraw/zinc/55/61/35/713556135.db2.gz HBMNTUIYDMCGBM-CQSZACIVSA-N -1 3 362.451 3.159 20 0 FGADHM CCOC(=O)/C=C\c1ccc([N-]S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000205748332 713563645 /nfs/dbraw/zinc/56/36/45/713563645.db2.gz BTDVWDVNNKLIOX-MLPAPPSSSA-N -1 3 361.419 3.072 20 0 FGADHM Cc1nc(C(C)C)oc1C[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC000641598539 717913353 /nfs/dbraw/zinc/91/33/53/717913353.db2.gz MMHFVQCMESYUJH-UHFFFAOYSA-N -1 3 352.387 3.470 20 0 FGADHM CC(C)(C)n1nnnc1SCc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000253609949 713675274 /nfs/dbraw/zinc/67/52/74/713675274.db2.gz FYTKGMHQBYLBQX-UHFFFAOYSA-N -1 3 356.411 3.115 20 0 FGADHM CO[C@H]1CCCC[C@H]1S(=O)(=O)[N-]c1cccc(-c2ncc(C)o2)c1 ZINC000641682598 717920057 /nfs/dbraw/zinc/92/00/57/717920057.db2.gz HEWRTNQNILIGCN-JKSUJKDBSA-N -1 3 350.440 3.349 20 0 FGADHM CC[C@@H](CS(=O)(=O)[N-]c1cccc(-c2nnsc2Cl)c1)OC ZINC000641695380 717922169 /nfs/dbraw/zinc/92/21/69/717922169.db2.gz KOHJHRUUCDEJEH-NSHDSACASA-N -1 3 361.876 3.025 20 0 FGADHM CN1C(=O)C[C@@H](NCc2cccc(C(=O)[O-])c2)[C@@H]1c1ccc(Cl)cc1 ZINC000263450126 713746471 /nfs/dbraw/zinc/74/64/71/713746471.db2.gz ZHAZMTWYCCJZGS-AEFFLSMTSA-N -1 3 358.825 3.100 20 0 FGADHM O=C([O-])CN(CC(=O)Nc1c(Cl)cc(Cl)cc1Cl)CC1CC1 ZINC000315499590 713806540 /nfs/dbraw/zinc/80/65/40/713806540.db2.gz RYLOFSSLKFNYHA-UHFFFAOYSA-N -1 3 365.644 3.382 20 0 FGADHM O=C(c1c[n-]c2ccc(Br)cc2c1=O)N1CC[C@@H]2CCC[C@@H]21 ZINC000333322210 713840571 /nfs/dbraw/zinc/84/05/71/713840571.db2.gz LJFMAUSJFPEKJV-BONVTDFDSA-N -1 3 361.239 3.305 20 0 FGADHM CO[C@H](C)c1nc(=NC[C@H]2CCCN(C)[C@@H]2c2cccs2)s[n-]1 ZINC000374545441 713929715 /nfs/dbraw/zinc/92/97/15/713929715.db2.gz XGAXLILGTCIXEW-BZPMIXESSA-N -1 3 352.529 3.224 20 0 FGADHM O=S(=O)([N-][C@H](CO)C1CCCC1)c1ccc(Cl)cc1C(F)(F)F ZINC000386008118 713984271 /nfs/dbraw/zinc/98/42/71/713984271.db2.gz MAPNYYBVTUGTJC-GFCCVEGCSA-N -1 3 371.808 3.188 20 0 FGADHM CCC[C@H](C)CS(=O)(=O)[N-]Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000522378217 714185583 /nfs/dbraw/zinc/18/55/83/714185583.db2.gz UCGJNGQNQNSRTI-NSHDSACASA-N -1 3 357.863 3.246 20 0 FGADHM C[C@@H](CCC(C)(C)C)NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000522912907 714212276 /nfs/dbraw/zinc/21/22/76/714212276.db2.gz POKFKRAXUGNVBK-JTQLQIEISA-N -1 3 366.936 3.011 20 0 FGADHM CCc1ccc(S(=O)(=O)[N-]c2ccc(N3CCC3=O)cc2)cc1CC ZINC000523521934 714238856 /nfs/dbraw/zinc/23/88/56/714238856.db2.gz LNCGPRHJDPZOFA-UHFFFAOYSA-N -1 3 358.463 3.349 20 0 FGADHM O=C([N-]c1nnc(-c2cccc(Cl)c2)s1)c1nccn2ccnc12 ZINC000525242752 714335535 /nfs/dbraw/zinc/33/55/35/714335535.db2.gz ZVHXANNMWXHWHR-UHFFFAOYSA-N -1 3 356.798 3.154 20 0 FGADHM CC(C)(NC(=O)c1cccc2n[n-]nc21)c1ccccc1Br ZINC000526118770 714407229 /nfs/dbraw/zinc/40/72/29/714407229.db2.gz OOKXEWGOCJIUGQ-UHFFFAOYSA-N -1 3 359.227 3.386 20 0 FGADHM Cc1ccccc1-c1nc(C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)cs1 ZINC000526959537 714415383 /nfs/dbraw/zinc/41/53/83/714415383.db2.gz HQLZMIFNTIPZKD-HNNXBMFYSA-N -1 3 354.435 3.367 20 0 FGADHM COc1ccc(Br)cc1CN(C)[C@H](C)c1nc(C)cc(=O)[n-]1 ZINC000577273681 714463021 /nfs/dbraw/zinc/46/30/21/714463021.db2.gz BTKIVMKHEINSNT-LLVKDONJSA-N -1 3 366.259 3.455 20 0 FGADHM CSC1(C(=O)Nc2cc(I)ccc2[O-])CCC1 ZINC000618855751 714782372 /nfs/dbraw/zinc/78/23/72/714782372.db2.gz AWRIPWSAFPFYJH-UHFFFAOYSA-N -1 3 363.220 3.221 20 0 FGADHM CCOC(=O)c1ncc(NC(=O)CCOc2ccc(Cl)cc2Cl)[n-]1 ZINC000619449482 714836864 /nfs/dbraw/zinc/83/68/64/714836864.db2.gz JAXCGRRRPKSOCN-UHFFFAOYSA-N -1 3 372.208 3.301 20 0 FGADHM CCOC(=O)c1nc(NC(=O)CCOc2ccc(Cl)cc2Cl)c[n-]1 ZINC000619449482 714836865 /nfs/dbraw/zinc/83/68/65/714836865.db2.gz JAXCGRRRPKSOCN-UHFFFAOYSA-N -1 3 372.208 3.301 20 0 FGADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(N(C)C(C)=O)cc2)cc1C ZINC000620877567 714947540 /nfs/dbraw/zinc/94/75/40/714947540.db2.gz QKYRVYXMVCAOOG-UHFFFAOYSA-N -1 3 362.451 3.177 20 0 FGADHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc3c2CCN(C)C3)c(C)c1 ZINC000621149266 714965614 /nfs/dbraw/zinc/96/56/14/714965614.db2.gz ZRENYXLFDHJVEX-UHFFFAOYSA-N -1 3 360.479 3.101 20 0 FGADHM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc2c1CCN(C)C2 ZINC000621149168 714965627 /nfs/dbraw/zinc/96/56/27/714965627.db2.gz MXZOYPGHFSVLSY-UHFFFAOYSA-N -1 3 350.871 3.437 20 0 FGADHM O=S(=O)([N-]CC[C@H]1CC1(F)F)c1cccc(OC(F)(F)F)c1F ZINC000621304594 714979814 /nfs/dbraw/zinc/97/98/14/714979814.db2.gz CNRLTJREUDRBBB-ZETCQYMHSA-N -1 3 363.279 3.048 20 0 FGADHM C[C@H](C(=O)N=c1[n-]n(CC(F)(F)F)cc1Br)C1CCCC1 ZINC000643325576 718023466 /nfs/dbraw/zinc/02/34/66/718023466.db2.gz RZPGFYPUCMOIIH-QMMMGPOBSA-N -1 3 368.197 3.395 20 0 FGADHM COCCN(Cc1ccccn1)C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621914813 715036158 /nfs/dbraw/zinc/03/61/58/715036158.db2.gz JJXKALIUQJYSGP-UHFFFAOYSA-N -1 3 354.328 3.095 20 0 FGADHM O=C(NC[C@H](O)CCc1ccccc1)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621952014 715040349 /nfs/dbraw/zinc/04/03/49/715040349.db2.gz QONPTZATVXGTIC-OAHLLOKOSA-N -1 3 353.340 3.135 20 0 FGADHM Cc1cccc(C[C@@H](CO)NC(=O)c2cc([O-])cc(C(F)(F)F)c2)c1 ZINC000621968672 715042500 /nfs/dbraw/zinc/04/25/00/715042500.db2.gz QHIFDYJTNYNFMR-HNNXBMFYSA-N -1 3 353.340 3.053 20 0 FGADHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N1CC[C@H](n2cc(Cl)cn2)C1 ZINC000622060134 715050758 /nfs/dbraw/zinc/05/07/58/715050758.db2.gz SZMFASUGERHDEN-LBPRGKRZSA-N -1 3 359.735 3.348 20 0 FGADHM CN(C[C@@H](O)Cc1ccccc1)C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622066680 715051315 /nfs/dbraw/zinc/05/13/15/715051315.db2.gz MPGHMXUZFJDKAA-INIZCTEOSA-N -1 3 353.340 3.087 20 0 FGADHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N1CC2(CCOCC2)[C@H]1C1CC1 ZINC000622068981 715051514 /nfs/dbraw/zinc/05/15/14/715051514.db2.gz GWMHQXQQVKSUHM-OAHLLOKOSA-N -1 3 355.356 3.442 20 0 FGADHM CN(C(=O)c1cc([O-])cc(C(F)(F)F)c1)[C@@H](CO)Cc1ccccc1 ZINC000622133758 715055355 /nfs/dbraw/zinc/05/53/55/715055355.db2.gz IPMRJCYYFNAJND-OAHLLOKOSA-N -1 3 353.340 3.087 20 0 FGADHM COc1ccc(CNC(=O)Cc2ccc([O-])c(F)c2)cc1OC(F)F ZINC000622305941 715069460 /nfs/dbraw/zinc/06/94/60/715069460.db2.gz FNZYUEPJBKAZSQ-UHFFFAOYSA-N -1 3 355.312 3.000 20 0 FGADHM COc1ccc(CNC(=O)Cc2ccc([O-])c(F)c2)c(C(F)(F)F)c1 ZINC000622345902 715070718 /nfs/dbraw/zinc/07/07/18/715070718.db2.gz VJFFIZNRFJGRNU-UHFFFAOYSA-N -1 3 357.303 3.418 20 0 FGADHM CC(C)c1noc(CCC(=O)N=c2cc(-c3cccc(Cl)c3)[n-][nH]2)n1 ZINC000622891113 715103774 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C[C@@H]1[C@H](C(F)(F)F)OCCN1Cc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000626019163 715829919 /nfs/dbraw/zinc/82/99/19/715829919.db2.gz MWMWKJVJVHWYPM-IAQYHMDHSA-N -1 3 353.344 3.001 20 0 FGADHM O=C(c1cc(=O)[n-]cn1)N1CCC(c2ccc(C(F)(F)F)cc2)CC1 ZINC000626357288 715892380 /nfs/dbraw/zinc/89/23/80/715892380.db2.gz LKHUQIUESLKRSF-UHFFFAOYSA-N -1 3 351.328 3.221 20 0 FGADHM C[C@@H](OC(=O)c1ccc(I)c([O-])c1)c1ccncc1 ZINC000760813891 723094754 /nfs/dbraw/zinc/09/47/54/723094754.db2.gz VDYFXHLJLCKKQF-SECBINFHSA-N -1 3 369.158 3.310 20 0 FGADHM CC1(C)Cc2n[nH]cc2CN(C(=O)c2cc([O-])cc(Br)c2)C1 ZINC000628184520 716121665 /nfs/dbraw/zinc/12/16/65/716121665.db2.gz OQGABPUJFLLCLU-UHFFFAOYSA-N -1 3 364.243 3.103 20 0 FGADHM COCCCn1c(=O)[n-]nc1SCc1nc2cc(C)ccc2s1 ZINC000629099571 716213795 /nfs/dbraw/zinc/21/37/95/716213795.db2.gz HYDRZFKSBDYBRD-UHFFFAOYSA-N -1 3 350.469 3.231 20 0 FGADHM CO[C@@H](Cc1ccc(F)cc1)CS(=O)(=O)[N-]c1ccccc1Cl ZINC000629282786 716250237 /nfs/dbraw/zinc/25/02/37/716250237.db2.gz MVQPSLJOXXAJSH-AWEZNQCLSA-N -1 3 357.834 3.479 20 0 FGADHM CCO[C@H](CS(=O)(=O)[N-]c1cc(NC(=O)CC)ccc1Cl)C1CC1 ZINC000629287563 716252275 /nfs/dbraw/zinc/25/22/75/716252275.db2.gz XSHDFACQEDQKOJ-OAHLLOKOSA-N -1 3 374.890 3.245 20 0 FGADHM COCCOCc1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)cc1 ZINC000629327926 716266956 /nfs/dbraw/zinc/26/69/56/716266956.db2.gz DSQYCSUFUWYTQX-UHFFFAOYSA-N -1 3 353.415 3.098 20 0 FGADHM Cc1ccc(NC(=O)N2CCN([C@H](CC(C)C)C(=O)[O-])CC2)cc1Cl ZINC000629488374 716297663 /nfs/dbraw/zinc/29/76/63/716297663.db2.gz KPWUUPASEXPEOH-MRXNPFEDSA-N -1 3 367.877 3.297 20 0 FGADHM Cc1cc(Br)c(CN[C@@H](C)C(=O)[O-])cc1Br ZINC000630451530 716455814 /nfs/dbraw/zinc/45/58/14/716455814.db2.gz USZANNRSPSVVLO-ZETCQYMHSA-N -1 3 351.038 3.083 20 0 FGADHM Cc1cc(C(=O)OCC(=O)[N-]C(=O)c2cccs2)c(C)cc1Cl ZINC000795928372 723614207 /nfs/dbraw/zinc/61/42/07/723614207.db2.gz SUQCBIUDBROEAN-UHFFFAOYSA-N -1 3 351.811 3.132 20 0 FGADHM O=S(=O)(C[C@H]1CCC1(F)F)[N-][C@@H](c1nccs1)c1ccccc1 ZINC000631899682 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CQISMURIKCJSMT-QMMMGPOBSA-N -1 3 360.258 3.466 20 0 FGADHM C[C@H](CNC(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl)c1ccccc1 ZINC000640290501 717712103 /nfs/dbraw/zinc/71/21/03/717712103.db2.gz PELGXCHBSTXELT-SNVBAGLBSA-N -1 3 360.767 3.446 20 0 FGADHM C[C@H](Cc1cccs1)NC(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000640292607 717713661 /nfs/dbraw/zinc/71/36/61/717713661.db2.gz NBWIRANTLSWGCC-MRVPVSSYSA-N -1 3 366.796 3.335 20 0 FGADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)NC[C@@H]1CCCC12CC2 ZINC000640301039 717717733 /nfs/dbraw/zinc/71/77/33/717717733.db2.gz XZZYUAGTBBSCLL-VIFPVBQESA-N -1 3 350.772 3.223 20 0 FGADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)N1CC[C@H]2CC[C@@H](C1)S2 ZINC000640301387 717718570 /nfs/dbraw/zinc/71/85/70/717718570.db2.gz CERKGWNILRSBBX-BDAKNGLRSA-N -1 3 368.812 3.023 20 0 FGADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCCc3cn(C(C)C)nc32)c(F)cc1F ZINC000780414577 724464186 /nfs/dbraw/zinc/46/41/86/724464186.db2.gz XCQYKHOMEGRWPI-OAHLLOKOSA-N -1 3 369.437 3.407 20 0 FGADHM COC1(CC[N-]S(=O)(=O)c2sc(C)cc2Br)CCC1 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3.017 20 0 FGADHM Cc1ncc(CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)s1 ZINC000771955975 723746633 /nfs/dbraw/zinc/74/66/33/723746633.db2.gz LLVOQRBLUGKUPN-UHFFFAOYSA-N -1 3 351.280 3.279 20 0 FGADHM CC(C)(C)OC(=O)C1([N-]S(=O)(=O)c2cccnc2Cl)CCCCC1 ZINC000772951094 723773117 /nfs/dbraw/zinc/77/31/17/723773117.db2.gz VDXJREICHCBYEZ-UHFFFAOYSA-N -1 3 374.890 3.058 20 0 FGADHM COc1cccc(-c2nc(-c3nc(Br)ccc3F)no2)c1[O-] ZINC000798188637 723912323 /nfs/dbraw/zinc/91/23/23/723912323.db2.gz VMJOENKMAONOBP-UHFFFAOYSA-N -1 3 366.146 3.414 20 0 FGADHM CCCCCC[C@@H](C)NC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000798346451 723925274 /nfs/dbraw/zinc/92/52/74/723925274.db2.gz HFQCAQOYIATAOD-CYBMUJFWSA-N -1 3 365.440 3.445 20 0 FGADHM Cc1ccc(CC(=O)[N-]OCc2c(Cl)n(C)nc2C(F)(F)F)cc1 ZINC000774756827 723927424 /nfs/dbraw/zinc/92/74/24/723927424.db2.gz DHWKAZNKVLVMQN-UHFFFAOYSA-N -1 3 361.751 3.191 20 0 FGADHM Cc1cccc([C@@H](C)C(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)c1 ZINC000799019512 723982843 /nfs/dbraw/zinc/98/28/43/723982843.db2.gz NTWDDFVYUIGHPF-CYBMUJFWSA-N -1 3 356.388 3.016 20 0 FGADHM CC(C)=C[C@H]1[C@@H](C(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)C1(C)C ZINC000799023468 723983255 /nfs/dbraw/zinc/98/32/55/723983255.db2.gz FCJUAQOGEKIRCI-KBPBESRZSA-N -1 3 360.420 3.142 20 0 FGADHM COc1ccc(C(=O)COC(=O)c2cccc(Cl)c2[O-])c(OC)c1 ZINC000775933421 724085553 /nfs/dbraw/zinc/08/55/53/724085553.db2.gz OAPYFQLCPJWPHE-UHFFFAOYSA-N -1 3 350.754 3.103 20 0 FGADHM CN(C)C(=O)Sc1cccc(COC(=O)c2cccc3nn[n-]c32)c1 ZINC000800208990 724166639 /nfs/dbraw/zinc/16/66/39/724166639.db2.gz RNXYLVFGCICYCZ-UHFFFAOYSA-N -1 3 356.407 3.089 20 0 FGADHM CN(C)C(=O)Sc1cccc(COC(=O)c2cccc3[n-]nnc32)c1 ZINC000800208990 724166641 /nfs/dbraw/zinc/16/66/41/724166641.db2.gz RNXYLVFGCICYCZ-UHFFFAOYSA-N -1 3 356.407 3.089 20 0 FGADHM CN(C)C(=O)Sc1cccc(COC(=O)c2cccc3n[n-]nc32)c1 ZINC000800208990 724166646 /nfs/dbraw/zinc/16/66/46/724166646.db2.gz RNXYLVFGCICYCZ-UHFFFAOYSA-N -1 3 356.407 3.089 20 0 FGADHM O=C(OCc1ccc(Br)c(F)c1)c1cccc2nn[n-]c21 ZINC000800209174 724166773 /nfs/dbraw/zinc/16/67/73/724166773.db2.gz WUHDNRACIODQNC-UHFFFAOYSA-N -1 3 350.147 3.217 20 0 FGADHM O=C(OCc1ccc(Br)c(F)c1)c1cccc2[n-]nnc21 ZINC000800209174 724166776 /nfs/dbraw/zinc/16/67/76/724166776.db2.gz WUHDNRACIODQNC-UHFFFAOYSA-N -1 3 350.147 3.217 20 0 FGADHM O=C(OCc1ccc(Br)c(F)c1)c1cccc2n[n-]nc21 ZINC000800209174 724166778 /nfs/dbraw/zinc/16/67/78/724166778.db2.gz WUHDNRACIODQNC-UHFFFAOYSA-N -1 3 350.147 3.217 20 0 FGADHM Cc1sc2[n-]c([C@H](C)OC(=O)[C@@H]3O[C@@H](C)C[C@H]3C)nc(=O)c2c1C ZINC000800304803 724178085 /nfs/dbraw/zinc/17/80/85/724178085.db2.gz HDPVKKURLOVXKD-XIJZCFGVSA-N -1 3 350.440 3.431 20 0 FGADHM Cn1c(Cl)nc(Cl)c1C[N-]c1nnc([C@H]2Cc3ccccc3O2)o1 ZINC000777517092 724233855 /nfs/dbraw/zinc/23/38/55/724233855.db2.gz VWGRSJRJFPAEBD-LLVKDONJSA-N -1 3 366.208 3.398 20 0 FGADHM COC(=O)C(=O)[C@@H](C)OC(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000778315225 724320810 /nfs/dbraw/zinc/32/08/10/724320810.db2.gz DCENGNWKUBDNOV-SNVBAGLBSA-N -1 3 362.765 3.000 20 0 FGADHM Cc1nccn1CCCC(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000778448124 724331847 /nfs/dbraw/zinc/33/18/47/724331847.db2.gz NNAPVHBGXUCFBL-UHFFFAOYSA-N -1 3 352.232 3.387 20 0 FGADHM COC[C@H]([N-]S(=O)(=O)c1cccnc1Cl)c1ccc(Cl)cc1 ZINC000785309606 724906175 /nfs/dbraw/zinc/90/61/75/724906175.db2.gz NIZCMKOPMMVFBP-LBPRGKRZSA-N -1 3 361.250 3.054 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1ccccc1C=O)c1nc(C(F)(F)F)cs1 ZINC000785395502 724910668 /nfs/dbraw/zinc/91/06/68/724910668.db2.gz ADIWGZRJUAXJLK-QMMMGPOBSA-N -1 3 364.370 3.014 20 0 FGADHM Cc1ccccc1CNC(=O)COC(=O)c1cc2sccc2c([O-])c1 ZINC000786140612 724962661 /nfs/dbraw/zinc/96/26/61/724962661.db2.gz FAHUJMZVKXVYMY-UHFFFAOYSA-N -1 3 355.415 3.389 20 0 FGADHM Cc1cnc(Cl)c([N-]S(=O)(=O)c2cnn(Cc3ccccc3)c2)c1 ZINC000786887260 725006092 /nfs/dbraw/zinc/00/60/92/725006092.db2.gz NJNRLWSPHPLYPO-UHFFFAOYSA-N -1 3 362.842 3.089 20 0 FGADHM CCC(CC)(C[N-]S(=O)(=O)c1cccnc1C(F)(F)F)SC ZINC000805021686 725044430 /nfs/dbraw/zinc/04/44/30/725044430.db2.gz UCHYOILYSYGINR-UHFFFAOYSA-N -1 3 356.435 3.301 20 0 FGADHM CCS[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cnc(Cl)c(F)c2)C1 ZINC000805027377 725044860 /nfs/dbraw/zinc/04/48/60/725044860.db2.gz KPZUCJSNLOPMIL-ZJUUUORDSA-N -1 3 352.884 3.217 20 0 FGADHM O=S(=O)([N-][C@@H]1CCCOc2cc(F)ccc21)c1cnc(Cl)c(F)c1 ZINC000805056505 725046943 /nfs/dbraw/zinc/04/69/43/725046943.db2.gz ZRFWPUFSWQBURV-CYBMUJFWSA-N -1 3 374.796 3.205 20 0 FGADHM C[C@H](NC(=O)c1cc2sccc2c([O-])c1)C(=O)NCc1ccccc1 ZINC000788291349 725055636 /nfs/dbraw/zinc/05/56/36/725055636.db2.gz SDCDWHGOEKZWKD-LBPRGKRZSA-N -1 3 354.431 3.042 20 0 FGADHM O=C(Nc1cc(Br)ccc1[O-])C(F)(F)C1(O)CCCC1 ZINC000788305988 725057138 /nfs/dbraw/zinc/05/71/38/725057138.db2.gz SSZAVYNMRHPFRJ-UHFFFAOYSA-N -1 3 350.159 3.034 20 0 FGADHM CCC(CC)n1ccc(CN2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)n1 ZINC000810073108 725287105 /nfs/dbraw/zinc/28/71/05/725287105.db2.gz ZVSWWDQHOCAYOV-CYBMUJFWSA-N -1 3 360.424 3.135 20 0 FGADHM CC(C)=C[C@@H]1[C@H](C(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)C1(C)C ZINC000810902343 725333812 /nfs/dbraw/zinc/33/38/12/725333812.db2.gz HBCSCXJAVKHPCF-MGPQQGTHSA-N -1 3 360.420 3.142 20 0 FGADHM CC(C)CCOCCNC(=O)COC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000811395165 725361648 /nfs/dbraw/zinc/36/16/48/725361648.db2.gz XRPNPWRFLUFJTM-UHFFFAOYSA-N -1 3 372.874 3.219 20 0 FGADHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC(C)(CC(C)C)CC2)ccc1F ZINC000811532413 725372946 /nfs/dbraw/zinc/37/29/46/725372946.db2.gz VVPCFHZUSWHDFK-UHFFFAOYSA-N -1 3 370.490 3.022 20 0 FGADHM CCC1(CNC(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)CCCC1 ZINC000811894148 725384219 /nfs/dbraw/zinc/38/42/19/725384219.db2.gz OWBCJEXHSISWTP-CYBMUJFWSA-N -1 3 363.424 3.057 20 0 FGADHM O=C([N-]OC1CCC1)c1c[nH]c2c(Cl)cc(Br)cc2c1=O ZINC000812794522 726812062 /nfs/dbraw/zinc/81/20/62/726812062.db2.gz HKUATKBORFBNCG-UHFFFAOYSA-N -1 3 371.618 3.158 20 0 FGADHM O=C(NOC1CCC1)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000812794522 726812066 /nfs/dbraw/zinc/81/20/66/726812066.db2.gz HKUATKBORFBNCG-UHFFFAOYSA-N -1 3 371.618 3.158 20 0 FGADHM O=C(C[C@@H](O)Cc1ccccc1)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000813493878 726885368 /nfs/dbraw/zinc/88/53/68/726885368.db2.gz QHPFJHKASITNJY-INIZCTEOSA-N -1 3 353.340 3.247 20 0 FGADHM CC(C)(C)C[C@H](O)CC(=O)[N-]OCc1ccc(F)cc1Br ZINC000813530051 726891034 /nfs/dbraw/zinc/89/10/34/726891034.db2.gz GWQZNMVUFBPOAZ-GFCCVEGCSA-N -1 3 362.239 3.323 20 0 FGADHM O=S(=O)([N-][C@@H](c1nccs1)C(F)(F)F)c1cccc2ncccc21 ZINC000815069918 727030951 /nfs/dbraw/zinc/03/09/51/727030951.db2.gz ZYPQLVSNIGTUAN-LBPRGKRZSA-N -1 3 373.381 3.273 20 0 FGADHM O=S(=O)([N-]C[C@@H]1C[C@H]1c1ccccc1)c1ccc(Cl)nc1Cl ZINC000815074327 727032504 /nfs/dbraw/zinc/03/25/04/727032504.db2.gz PBFCXMWSZJVNCD-RYUDHWBXSA-N -1 3 357.262 3.470 20 0 FGADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3ccc(Cl)nn3)nc(=O)c2c1C ZINC000815438635 727073592 /nfs/dbraw/zinc/07/35/92/727073592.db2.gz JRLYMUQIVUWHIW-SSDOTTSWSA-N -1 3 364.814 3.375 20 0 FGADHM C[C@](O)(CNC(=O)c1cc([O-])cc(C(F)(F)F)c1)c1ccc(F)cc1 ZINC000816956107 727209696 /nfs/dbraw/zinc/20/96/96/727209696.db2.gz XYHLPDNLNSEKGE-INIZCTEOSA-N -1 3 357.303 3.188 20 0 FGADHM O=S(=O)([N-]C[C@H]1CC12CCSCC2)c1cnc(Cl)c(Cl)c1 ZINC000817142389 727224125 /nfs/dbraw/zinc/22/41/25/727224125.db2.gz VIUOORBSENBDKV-SECBINFHSA-N -1 3 367.323 3.200 20 0 FGADHM O=c1cc(CN2CCC[C@H](CCO)CC2)c2cc(Cl)c([O-])cc2o1 ZINC000817296076 727237701 /nfs/dbraw/zinc/23/77/01/727237701.db2.gz DGZLVZNZEACGFI-LBPRGKRZSA-N -1 3 351.830 3.137 20 0 FGADHM COc1ccc(N[C@@H](C)C2(OC)CCCCC2)cc1[N-]S(C)(=O)=O ZINC000817581750 727267602 /nfs/dbraw/zinc/26/76/02/727267602.db2.gz UJBQRSCEHMDYDN-ZDUSSCGKSA-N -1 3 356.488 3.216 20 0 FGADHM COc1ccc(CC(=O)[N-]OCc2cc(C(F)(F)F)co2)cc1OC ZINC000871732002 735539319 /nfs/dbraw/zinc/53/93/19/735539319.db2.gz XIXBJGSOXCHGSY-UHFFFAOYSA-N -1 3 359.300 3.106 20 0 FGADHM O=C(OCC[C@@H]1CC1(Cl)Cl)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000820251605 728978626 /nfs/dbraw/zinc/97/86/26/728978626.db2.gz ZRSXPMKBZYSSIC-YPMHNXCESA-N -1 3 372.248 3.124 20 0 FGADHM COc1cccc(S([O-])=CC(=O)O[C@@H](c2ccccn2)C(F)(F)F)c1 ZINC000820344618 728986860 /nfs/dbraw/zinc/98/68/60/728986860.db2.gz BICZJWIVTIFXFV-ODCWNRFASA-N -1 3 373.352 3.045 20 0 FGADHM O=C(Nc1c([O-])cccc1Cl)[C@H]1CC(c2c(F)cccc2F)=NO1 ZINC000820510144 729000479 /nfs/dbraw/zinc/00/04/79/729000479.db2.gz MUUCYOUMOWFUAK-CYBMUJFWSA-N -1 3 352.724 3.456 20 0 FGADHM COCCc1ccc(S(=O)(=O)[N-]c2cnc(Cl)cc2Cl)cc1 ZINC000820799551 729032497 /nfs/dbraw/zinc/03/24/97/729032497.db2.gz VPPIVXCQJCHAFV-UHFFFAOYSA-N -1 3 361.250 3.378 20 0 FGADHM COc1cccc(S([O-])=CC(=O)OC[C@H]2CCC3(CCCCC3)O2)c1 ZINC000821352781 729079764 /nfs/dbraw/zinc/07/97/64/729079764.db2.gz OHUCVNNMIPPBMV-CPJLOUKISA-N -1 3 366.479 3.228 20 0 FGADHM CCS[C@@H]1CCC[C@H]1Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000821457210 729089196 /nfs/dbraw/zinc/08/91/96/729089196.db2.gz VLDSPOBDZHIGPT-NXEZZACHSA-N -1 3 358.393 3.367 20 0 FGADHM CCS[C@@H]1CCC[C@H]1Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000821457210 729089198 /nfs/dbraw/zinc/08/91/98/729089198.db2.gz VLDSPOBDZHIGPT-NXEZZACHSA-N -1 3 358.393 3.367 20 0 FGADHM COc1ccc(N(C)C(=S)Nc2ccccc2-c2nnn[n-]2)cc1Cl ZINC000821827470 729120297 /nfs/dbraw/zinc/12/02/97/729120297.db2.gz CAOHYZBOLQSWEX-UHFFFAOYSA-N -1 3 374.857 3.362 20 0 FGADHM COc1ccc(N(C)C(=S)Nc2ccccc2-c2nn[n-]n2)cc1Cl ZINC000821827470 729120299 /nfs/dbraw/zinc/12/02/99/729120299.db2.gz CAOHYZBOLQSWEX-UHFFFAOYSA-N -1 3 374.857 3.362 20 0 FGADHM Cc1cccnc1C(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@@H](C)C2 ZINC000822369392 729168548 /nfs/dbraw/zinc/16/85/48/729168548.db2.gz IHZYIMYPAMPRDF-SECBINFHSA-N -1 3 354.439 3.009 20 0 FGADHM Cc1cccnc1C(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@@H](C)C2 ZINC000822369392 729168549 /nfs/dbraw/zinc/16/85/49/729168549.db2.gz IHZYIMYPAMPRDF-SECBINFHSA-N -1 3 354.439 3.009 20 0 FGADHM CN(C)c1cccc2sc(C(=O)N3CC[C@@H](c4cc(=O)[nH][n-]4)C3)cc21 ZINC000823806541 729305856 /nfs/dbraw/zinc/30/58/56/729305856.db2.gz ZVNSZIJJKHIHHD-LLVKDONJSA-N -1 3 356.451 3.026 20 0 FGADHM CC(C)(C)[C@H](NCCCOc1ccc(-c2nn[n-]n2)cc1)C(F)(F)F ZINC000824071821 729318286 /nfs/dbraw/zinc/31/82/86/729318286.db2.gz OBJYEFMGPGOOKC-AWEZNQCLSA-N -1 3 357.380 3.202 20 0 FGADHM C[C@H](Sc1ccc(N)cc1Cl)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000824755229 729357704 /nfs/dbraw/zinc/35/77/04/729357704.db2.gz KINZSLGVEULBHB-VIFPVBQESA-N -1 3 374.857 3.222 20 0 FGADHM C[C@H](Sc1ccc(N)cc1Cl)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000824755229 729357705 /nfs/dbraw/zinc/35/77/05/729357705.db2.gz KINZSLGVEULBHB-VIFPVBQESA-N -1 3 374.857 3.222 20 0 FGADHM C[C@H]1CCC[C@@H]1C(=O)Nc1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000824925566 729365420 /nfs/dbraw/zinc/36/54/20/729365420.db2.gz FHOWJZXUAMSRIA-GWCFXTLKSA-N -1 3 354.439 3.365 20 0 FGADHM C[C@H]1CCC[C@@H]1C(=O)Nc1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000824925566 729365421 /nfs/dbraw/zinc/36/54/21/729365421.db2.gz FHOWJZXUAMSRIA-GWCFXTLKSA-N -1 3 354.439 3.365 20 0 FGADHM CCCCCNC(=O)[C@H](C)Sc1cccc(Cl)c1-c1nnn[n-]1 ZINC000825276003 729376725 /nfs/dbraw/zinc/37/67/25/729376725.db2.gz MABMLZASKKESON-JTQLQIEISA-N -1 3 353.879 3.307 20 0 FGADHM CCCCCNC(=O)[C@H](C)Sc1cccc(Cl)c1-c1nn[n-]n1 ZINC000825276003 729376727 /nfs/dbraw/zinc/37/67/27/729376727.db2.gz MABMLZASKKESON-JTQLQIEISA-N -1 3 353.879 3.307 20 0 FGADHM CCCc1cnc(NC(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000825348665 729379974 /nfs/dbraw/zinc/37/99/74/729379974.db2.gz VNXUJSPYMSVYRS-JTQLQIEISA-N -1 3 357.443 3.158 20 0 FGADHM CCCc1cnc(NC(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000825348665 729379976 /nfs/dbraw/zinc/37/99/76/729379976.db2.gz VNXUJSPYMSVYRS-JTQLQIEISA-N -1 3 357.443 3.158 20 0 FGADHM CCOc1cc(Cl)ccc1C(=O)N(C)c1cccc(-c2nnn[n-]2)c1 ZINC000825616154 729389579 /nfs/dbraw/zinc/38/95/79/729389579.db2.gz YDAHJTVVCKOFFB-UHFFFAOYSA-N -1 3 357.801 3.195 20 0 FGADHM CCOc1cc(Cl)ccc1C(=O)N(C)c1cccc(-c2nn[n-]n2)c1 ZINC000825616154 729389581 /nfs/dbraw/zinc/38/95/81/729389581.db2.gz YDAHJTVVCKOFFB-UHFFFAOYSA-N -1 3 357.801 3.195 20 0 FGADHM CN(C(=O)[C@H]1CCc2c1cccc2Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000825811749 729396128 /nfs/dbraw/zinc/39/61/28/729396128.db2.gz AWVDKVIWIYFYBO-HNNXBMFYSA-N -1 3 353.813 3.213 20 0 FGADHM CN(C(=O)[C@H]1CCc2c1cccc2Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000825811749 729396129 /nfs/dbraw/zinc/39/61/29/729396129.db2.gz AWVDKVIWIYFYBO-HNNXBMFYSA-N -1 3 353.813 3.213 20 0 FGADHM Cc1ccc2ccnc(N3CCC[C@H](C[N-]C(=O)C(F)(F)F)C3)c2c1 ZINC000826088427 729404802 /nfs/dbraw/zinc/40/48/02/729404802.db2.gz SAGDYFLQPZAPGV-CYBMUJFWSA-N -1 3 351.372 3.438 20 0 FGADHM COCc1ccsc1C(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000826165349 729406092 /nfs/dbraw/zinc/40/60/92/729406092.db2.gz QNUILOGECHGEGX-UHFFFAOYSA-N -1 3 363.830 3.005 20 0 FGADHM COCc1ccsc1C(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000826165349 729406093 /nfs/dbraw/zinc/40/60/93/729406093.db2.gz QNUILOGECHGEGX-UHFFFAOYSA-N -1 3 363.830 3.005 20 0 FGADHM Cc1nc(C(C)C)sc1[C@@H](C)OC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000826323618 729407246 /nfs/dbraw/zinc/40/72/46/729407246.db2.gz LBJCUGQQRFVWGP-SNVBAGLBSA-N -1 3 360.443 3.012 20 0 FGADHM Cc1nc(C(C)C)sc1[C@@H](C)OC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000826323618 729407247 /nfs/dbraw/zinc/40/72/47/729407247.db2.gz LBJCUGQQRFVWGP-SNVBAGLBSA-N -1 3 360.443 3.012 20 0 FGADHM Clc1ncc(NCc2ccc(-c3nnn[n-]3)cc2)cc1Br ZINC000826353739 729407593 /nfs/dbraw/zinc/40/75/93/729407593.db2.gz BWXSXDIHQCIPCE-UHFFFAOYSA-N -1 3 365.622 3.290 20 0 FGADHM Clc1ncc(NCc2ccc(-c3nn[n-]n3)cc2)cc1Br ZINC000826353739 729407594 /nfs/dbraw/zinc/40/75/94/729407594.db2.gz BWXSXDIHQCIPCE-UHFFFAOYSA-N -1 3 365.622 3.290 20 0 FGADHM Clc1cccc(SCc2cn(-c3ccccc3)nn2)c1-c1nnn[n-]1 ZINC000826353464 729407779 /nfs/dbraw/zinc/40/77/79/729407779.db2.gz QHNVJSQVGQJOML-UHFFFAOYSA-N -1 3 369.841 3.393 20 0 FGADHM Clc1cccc(SCc2cn(-c3ccccc3)nn2)c1-c1nn[n-]n1 ZINC000826353464 729407780 /nfs/dbraw/zinc/40/77/80/729407780.db2.gz QHNVJSQVGQJOML-UHFFFAOYSA-N -1 3 369.841 3.393 20 0 FGADHM O=C(N[C@H]1CCSc2ccc(Cl)cc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000826432178 729407857 /nfs/dbraw/zinc/40/78/57/729407857.db2.gz UFDXYZLZXRRBDQ-AWEZNQCLSA-N -1 3 371.853 3.487 20 0 FGADHM O=C(N[C@H]1CCSc2ccc(Cl)cc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000826432178 729407858 /nfs/dbraw/zinc/40/78/58/729407858.db2.gz UFDXYZLZXRRBDQ-AWEZNQCLSA-N -1 3 371.853 3.487 20 0 FGADHM O=C(Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)[C@H]1CCCCS1 ZINC000826459486 729408104 /nfs/dbraw/zinc/40/81/04/729408104.db2.gz LUFNLEVWUHTKGM-CYBMUJFWSA-N -1 3 372.479 3.214 20 0 FGADHM O=C(Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)[C@H]1CCCCS1 ZINC000826459486 729408105 /nfs/dbraw/zinc/40/81/05/729408105.db2.gz LUFNLEVWUHTKGM-CYBMUJFWSA-N -1 3 372.479 3.214 20 0 FGADHM O=C(O[C@H](c1cccc(Cl)c1)C(F)(F)F)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826461853 729408157 /nfs/dbraw/zinc/40/81/57/729408157.db2.gz ILNFVFVEGPJMJB-LLVKDONJSA-N -1 3 371.706 3.309 20 0 FGADHM O=C(O[C@H](c1cccc(Cl)c1)C(F)(F)F)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826461853 729408158 /nfs/dbraw/zinc/40/81/58/729408158.db2.gz ILNFVFVEGPJMJB-LLVKDONJSA-N -1 3 371.706 3.309 20 0 FGADHM C[C@@H](N[C@H](C(=O)[O-])c1cccnc1)c1ccc(OCC(F)(F)F)cc1 ZINC000827718454 729433678 /nfs/dbraw/zinc/43/36/78/729433678.db2.gz SLHKWRZXMBGHFL-ABAIWWIYSA-N -1 3 354.328 3.499 20 0 FGADHM Cc1cccc2[nH]c(CN3CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C3)cc21 ZINC000827844811 729435871 /nfs/dbraw/zinc/43/58/71/729435871.db2.gz OOPPHMPNVNEAFY-WBMJQRKESA-N -1 3 353.388 3.365 20 0 FGADHM O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)c1ccc(C(F)F)c(F)c1 ZINC000828210264 729441205 /nfs/dbraw/zinc/44/12/05/729441205.db2.gz OJRPPQTYFJNWLG-UHFFFAOYSA-N -1 3 351.328 3.456 20 0 FGADHM CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@@H](C(=O)[N-]OCCCC(F)(F)F)C2 ZINC000828335748 729442381 /nfs/dbraw/zinc/44/23/81/729442381.db2.gz HJZQDNVGAPUBRX-WOPDTQHZSA-N -1 3 366.380 3.165 20 0 FGADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]C[C@@H]1CCC[C@H]1c1ccccc1 ZINC000831815009 729669498 /nfs/dbraw/zinc/66/94/98/729669498.db2.gz UBJOWGZOKOLXBC-GJZGRUSLSA-N -1 3 367.902 3.244 20 0 FGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@]2(C)CC2(Cl)Cl)c1 ZINC000832149372 729693115 /nfs/dbraw/zinc/69/31/15/729693115.db2.gz XCKNHHQNZCKTFS-LLVKDONJSA-N -1 3 358.674 3.211 20 0 FGADHM COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-]C[C@@H]1CCCC(C)(C)C1 ZINC000832659934 729725382 /nfs/dbraw/zinc/72/53/82/729725382.db2.gz NRPSOQRPQVRICG-LLVKDONJSA-N -1 3 374.890 3.016 20 0 FGADHM O=C([O-])[C@@H](c1cc(Cl)cc(Cl)c1)N1CCC[C@H](C2OCCO2)C1 ZINC000833172343 729741372 /nfs/dbraw/zinc/74/13/72/729741372.db2.gz SVFHNGRQOGMLSP-IINYFYTJSA-N -1 3 360.237 3.204 20 0 FGADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1ccc(N2CCCC2)c(Cl)c1 ZINC000836385295 729954046 /nfs/dbraw/zinc/95/40/46/729954046.db2.gz HWUAJOJSCXSYSQ-UHFFFAOYSA-N -1 3 369.849 3.335 20 0 FGADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1ccc(N2CCCC2)c(Cl)c1 ZINC000836385295 729954047 /nfs/dbraw/zinc/95/40/47/729954047.db2.gz HWUAJOJSCXSYSQ-UHFFFAOYSA-N -1 3 369.849 3.335 20 0 FGADHM CC(C)(CO)O[N-]C(=O)Cc1cccc(OCc2ccccc2Cl)c1 ZINC000836802584 729970560 /nfs/dbraw/zinc/97/05/60/729970560.db2.gz BCUQSCNJFPXINE-UHFFFAOYSA-N -1 3 363.841 3.280 20 0 FGADHM CC(C)[C@H](CO)O[N-]C(=O)CCCOc1ccc(Cl)cc1Cl ZINC000836903471 729973549 /nfs/dbraw/zinc/97/35/49/729973549.db2.gz AVRJEXZKCBSALK-AWEZNQCLSA-N -1 3 350.242 3.217 20 0 FGADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3cnn(C)c3Cl)nc(=O)c2c1C ZINC000837869403 730070788 /nfs/dbraw/zinc/07/07/88/730070788.db2.gz KZBCXIXDUFVZQD-ZETCQYMHSA-N -1 3 366.830 3.319 20 0 FGADHM C[C@]1(C(=O)[O-])CCN(Cc2nc3ccc(Br)cc3s2)C1 ZINC000840998722 730202433 /nfs/dbraw/zinc/20/24/33/730202433.db2.gz PFIYYXPFYLMLSS-AWEZNQCLSA-N -1 3 355.257 3.355 20 0 FGADHM CCS(=O)(=O)c1ccc(CO[N-]C(=O)CCC2CCCCC2)cc1 ZINC000842027465 730288317 /nfs/dbraw/zinc/28/83/17/730288317.db2.gz AFYXDCVKWBBQEI-UHFFFAOYSA-N -1 3 353.484 3.389 20 0 FGADHM CCC(CC)(CO)C(=O)O[C@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000842107715 730295075 /nfs/dbraw/zinc/29/50/75/730295075.db2.gz JBLOCPSTENXACV-SNVBAGLBSA-N -1 3 352.456 3.417 20 0 FGADHM CCO[C@@H]1COCC[C@H]1[N-]C(=O)C(F)(F)c1cccc(Cl)c1Cl ZINC000843578791 730632705 /nfs/dbraw/zinc/63/27/05/730632705.db2.gz GSTVZBRIRHHBCU-VXGBXAGGSA-N -1 3 368.207 3.395 20 0 FGADHM CCCO[N-]C(=O)CCc1ncc(-c2ccccc2Br)o1 ZINC000844083861 730683555 /nfs/dbraw/zinc/68/35/55/730683555.db2.gz WILLHCDWLDKMPQ-UHFFFAOYSA-N -1 3 353.216 3.495 20 0 FGADHM CC(C)CO[C@H](C)c1noc(COC(=O)c2ccc(N)c(Cl)c2[O-])n1 ZINC000845192033 730817696 /nfs/dbraw/zinc/81/76/96/730817696.db2.gz MGUUDIOAVYXHLE-SECBINFHSA-N -1 3 369.805 3.101 20 0 FGADHM CC(C)[C@H](OC(=O)c1ccc(N)c(Cl)c1[O-])C(=O)N1CCCC[C@@H]1C ZINC000845193767 730818422 /nfs/dbraw/zinc/81/84/22/730818422.db2.gz KQJCYNNWKKZKDZ-ZBEGNZNMSA-N -1 3 368.861 3.210 20 0 FGADHM COC(=O)CCc1csc([N-]C(=O)c2snc(Cl)c2Cl)n1 ZINC000845832813 730901072 /nfs/dbraw/zinc/90/10/72/730901072.db2.gz XHIVZJNNSUETOQ-UHFFFAOYSA-N -1 3 366.251 3.264 20 0 FGADHM CC(C)(C)OC(=O)N1CC2(C[C@@H]2C(=O)Nc2c([O-])cccc2Cl)C1 ZINC000848140090 731134313 /nfs/dbraw/zinc/13/43/13/731134313.db2.gz KLQSJHKOKXBJHL-SNVBAGLBSA-N -1 3 352.818 3.241 20 0 FGADHM CC(C)(C)OC(=O)N1CC2(C[C@H]2C(=O)Nc2c([O-])cccc2Cl)C1 ZINC000848140089 731134331 /nfs/dbraw/zinc/13/43/31/731134331.db2.gz KLQSJHKOKXBJHL-JTQLQIEISA-N -1 3 352.818 3.241 20 0 FGADHM CCO/C=C\[C@](O)(C[N-]C(=O)C(F)(F)c1ccc(C)cc1)C(F)(F)F ZINC000848180186 731139178 /nfs/dbraw/zinc/13/91/78/731139178.db2.gz VAEUEPJFIQKHKT-CKXPSTMWSA-N -1 3 367.314 3.047 20 0 FGADHM CCCC[C@@H](CC)CNC(=S)NN=c1ncc(Br)c[n-]1 ZINC000848653005 731192152 /nfs/dbraw/zinc/19/21/52/731192152.db2.gz HSXOFNDTBZGLRR-SNVBAGLBSA-N -1 3 360.325 3.247 20 0 FGADHM C[C@@H](NC(=S)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C)c1ccccc1 ZINC000848654689 731192302 /nfs/dbraw/zinc/19/23/02/731192302.db2.gz XARAETLGIXBKIG-YRGRVCCFSA-N -1 3 373.444 3.154 20 0 FGADHM C[C@@H]1CCN(Cc2ccc3ncccc3c2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000852757001 731630723 /nfs/dbraw/zinc/63/07/23/731630723.db2.gz GMNYGYWYEOKSOM-WBMJQRKESA-N -1 3 351.372 3.124 20 0 FGADHM CSc1ccc([O-])c(C(=O)N2CCC[C@@](CO)(c3ccccc3)C2)c1 ZINC000854370264 731822150 /nfs/dbraw/zinc/82/21/50/731822150.db2.gz NILJZIOPLTVPMB-HXUWFJFHSA-N -1 3 357.475 3.280 20 0 FGADHM CSc1ccc([O-])c(C(=O)N2CC[C@@](C)(C(=O)OC(C)(C)C)C2)c1 ZINC000854901922 731873482 /nfs/dbraw/zinc/87/34/82/731873482.db2.gz APTBGKLBAKUQEO-GOSISDBHSA-N -1 3 351.468 3.308 20 0 FGADHM CCOC(=O)C(C)(C)O[N-]C(=O)CCOc1cccc(Cl)c1Cl ZINC000855132772 731900740 /nfs/dbraw/zinc/90/07/40/731900740.db2.gz VRHGAHJRDMPZAM-UHFFFAOYSA-N -1 3 364.225 3.152 20 0 FGADHM O=C(N[C@H]1CCN(C2CCCCC2)C1=O)c1cc2sccc2c([O-])c1 ZINC000856438990 732027153 /nfs/dbraw/zinc/02/71/53/732027153.db2.gz HTPNGGRIGXSOAV-HNNXBMFYSA-N -1 3 358.463 3.270 20 0 FGADHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N(CCO)Cc1cccnc1Cl ZINC000857199520 732111368 /nfs/dbraw/zinc/11/13/68/732111368.db2.gz SDGPMPBSRBUPHE-UHFFFAOYSA-N -1 3 374.746 3.094 20 0 FGADHM CCCC[C@@H](C(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1)C(C)C ZINC000857263262 732116670 /nfs/dbraw/zinc/11/66/70/732116670.db2.gz OYDBCQWLGNGGAD-ZIAGYGMSSA-N -1 3 350.425 3.366 20 0 FGADHM CN(CCNC(=O)OC(C)(C)C)C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000857283340 732117562 /nfs/dbraw/zinc/11/75/62/732117562.db2.gz QVFZXMBXWLQMGY-UHFFFAOYSA-N -1 3 362.348 3.008 20 0 FGADHM CCC(C)(C)[C@@H](O)C(=O)O[C@@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000859763829 732389974 /nfs/dbraw/zinc/38/99/74/732389974.db2.gz VCJIRVWNGILEBS-CABZTGNLSA-N -1 3 352.456 3.415 20 0 FGADHM O=C([O-])[C@@H](NCc1cc(Br)cs1)c1ccc2c(c1)CCO2 ZINC000859817999 732398473 /nfs/dbraw/zinc/39/84/73/732398473.db2.gz VSFGDZSHUQNKIB-AWEZNQCLSA-N -1 3 368.252 3.361 20 0 FGADHM O=C([O-])[C@H](NCc1cc(Br)cs1)c1ccc2c(c1)CCO2 ZINC000859818002 732398509 /nfs/dbraw/zinc/39/85/09/732398509.db2.gz VSFGDZSHUQNKIB-CQSZACIVSA-N -1 3 368.252 3.361 20 0 FGADHM CO[C@]1(C(=O)[O-])CCN(Cc2cnc(-c3ccc(Cl)cc3)s2)C1 ZINC000859819485 732399234 /nfs/dbraw/zinc/39/92/34/732399234.db2.gz JVZWEJSFJXLVOD-MRXNPFEDSA-N -1 3 352.843 3.139 20 0 FGADHM O=C(OCCCOCC(F)(F)F)c1cc([O-])cc(Br)c1 ZINC000860201201 732467751 /nfs/dbraw/zinc/46/77/51/732467751.db2.gz IOJFSUJKCAYVKB-UHFFFAOYSA-N -1 3 357.122 3.281 20 0 FGADHM CC(C)(C)OC(=O)N1CC[C@@H]([C@@H](F)C(=O)Nc2cc(F)ccc2[O-])C1 ZINC000860440658 732514696 /nfs/dbraw/zinc/51/46/96/732514696.db2.gz FWFFRSJGILXTAO-QMTHXVAHSA-N -1 3 356.369 3.065 20 0 FGADHM CS(=O)(=O)[N-]c1ccc(C(=O)OCC2(C(F)(F)F)CCCC2)cc1 ZINC000861311775 732658719 /nfs/dbraw/zinc/65/87/19/732658719.db2.gz OOLZXVJWFZQMFH-UHFFFAOYSA-N -1 3 365.373 3.338 20 0 FGADHM CC(C)(C)c1csc(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)n1 ZINC000864711263 733092159 /nfs/dbraw/zinc/09/21/59/733092159.db2.gz TWTDACPSZLCSQV-UHFFFAOYSA-N -1 3 353.469 3.064 20 0 FGADHM Cc1sc2nc(C)nc(SCc3nc4c(c(=O)[n-]3)COCC4)c2c1C ZINC000865342271 733182215 /nfs/dbraw/zinc/18/22/15/733182215.db2.gz VJDVBZYFUDTHCI-UHFFFAOYSA-N -1 3 374.491 3.477 20 0 FGADHM O=c1[n-]c(CN[C@@H]2CCCCc3ccc(Cl)cc32)nc2c1COCC2 ZINC000866628761 733376333 /nfs/dbraw/zinc/37/63/33/733376333.db2.gz QYACVWPRCANDLS-MRXNPFEDSA-N -1 3 359.857 3.466 20 0 FGADHM C[C@H](NCc1nc2c(c(=O)[n-]1)COCC2)c1cc(Cl)sc1Cl ZINC000866628263 733376466 /nfs/dbraw/zinc/37/64/66/733376466.db2.gz MDDBJHVQRCPALN-ZETCQYMHSA-N -1 3 360.266 3.474 20 0 FGADHM Cc1ccc(N(C(C)C)S(=O)(=O)c2nc[n-]c2Br)cc1 ZINC000866758714 733392976 /nfs/dbraw/zinc/39/29/76/733392976.db2.gz FXZCCHUQZJUFNS-UHFFFAOYSA-N -1 3 358.261 3.084 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F)c1ccccc1F ZINC000867459869 733485525 /nfs/dbraw/zinc/48/55/25/733485525.db2.gz DEZNQGRRFFOKPX-NSHDSACASA-N -1 3 365.352 3.008 20 0 FGADHM O=S(=O)([N-][C@@H]1C[C@H]1C1CCOCC1)c1c(Cl)cccc1Cl ZINC000867883198 733527877 /nfs/dbraw/zinc/52/78/77/733527877.db2.gz FGTTZRXIRZWWBV-GXFFZTMASA-N -1 3 350.267 3.087 20 0 FGADHM CCOC(=O)c1nc([N-]C(=O)c2scnc2C(F)(F)F)sc1C ZINC000870781993 733887526 /nfs/dbraw/zinc/88/75/26/733887526.db2.gz RNAQWPICLQRSMU-UHFFFAOYSA-N -1 3 365.358 3.356 20 0 FGADHM CCCCn1cc(S(=O)(=O)[N-]c2cc(Cl)cnc2Cl)c(C)n1 ZINC000872004334 735572725 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ZINC000052829421 494065937 /nfs/dbraw/zinc/06/59/37/494065937.db2.gz YJRCTXAMPULPNC-KRWDZBQOSA-N -1 3 365.481 3.291 20 0 FGADHM CCCCOc1ncccc1C[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000063629502 494072066 /nfs/dbraw/zinc/07/20/66/494072066.db2.gz ZAGCHTJEUKIPGI-UHFFFAOYSA-N -1 3 356.394 3.017 20 0 FGADHM CC[C@H](CNC(=O)c1c[n-]c2ccccc2c1=O)Oc1cccc(F)c1 ZINC000084618946 494088009 /nfs/dbraw/zinc/08/80/09/494088009.db2.gz RINUHATZKYAJNY-CQSZACIVSA-N -1 3 354.381 3.255 20 0 FGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc2nn(C(C)C)cc2c1 ZINC000568461317 505699017 /nfs/dbraw/zinc/69/90/17/505699017.db2.gz WDWPLTDQHVUTHV-UHFFFAOYSA-N -1 3 357.439 3.395 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2CCO[C@H]2c2ccccc2)c(F)cc1F ZINC000084674966 494091906 /nfs/dbraw/zinc/09/19/06/494091906.db2.gz OXEOFRCUJDCCIV-KSSFIOAISA-N -1 3 367.417 3.329 20 0 FGADHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(-c3noc(C)n3)c2)c(C)c1 ZINC000063849872 494093749 /nfs/dbraw/zinc/09/37/49/494093749.db2.gz GSRPLNLUUGOBRH-UHFFFAOYSA-N -1 3 373.434 3.471 20 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MRMFQBYVGNCQQI-UHFFFAOYSA-N -1 3 368.861 3.426 20 0 FGADHM CC(C)CN(C)C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000077724930 494158617 /nfs/dbraw/zinc/15/86/17/494158617.db2.gz KNSOJLPMDXEHQM-UHFFFAOYSA-N -1 3 359.467 3.022 20 0 FGADHM COC(=O)c1sc([N-]C(=O)c2cc(-c3ccccc3F)on2)nc1C ZINC000077894229 494198368 /nfs/dbraw/zinc/19/83/68/494198368.db2.gz ZODPAWFFNPARNS-UHFFFAOYSA-N -1 3 361.354 3.285 20 0 FGADHM Cc1cccc(C)c1NC(=O)CNC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000065616877 494220230 /nfs/dbraw/zinc/22/02/30/494220230.db2.gz BKMUTYYNOUKLGU-UHFFFAOYSA-N -1 3 352.434 3.256 20 0 FGADHM COCCOc1cccc(CNC(=O)c2cc3c(cc2[O-])CCCC3)c1 ZINC000065618553 494220611 /nfs/dbraw/zinc/22/06/11/494220611.db2.gz MPIFKFMEYWHAJR-UHFFFAOYSA-N -1 3 355.434 3.226 20 0 FGADHM CO[C@H](C)C(=O)Nc1cccc(NC(=O)c2cc3c(cc2[O-])CCCC3)c1 ZINC000065619642 494221275 /nfs/dbraw/zinc/22/12/75/494221275.db2.gz JMMUIYCPYNYIED-CYBMUJFWSA-N -1 3 368.433 3.497 20 0 FGADHM COc1cc(C)c(C(=O)Nc2n[n-]c(-c3ccccc3F)n2)cc1OC ZINC000088359283 494229735 /nfs/dbraw/zinc/22/97/35/494229735.db2.gz DOGHZJBLMXNGMQ-UHFFFAOYSA-N -1 3 356.357 3.189 20 0 FGADHM CCCCOc1cccc(NC(=O)NCCNC(=O)c2ccc([O-])cc2)c1 ZINC000054469638 494238623 /nfs/dbraw/zinc/23/86/23/494238623.db2.gz HUSMFLHTBBIICA-UHFFFAOYSA-N -1 3 371.437 3.123 20 0 FGADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N(Cc1ccc(Cl)cc1)C1CC1 ZINC000065803909 494239947 /nfs/dbraw/zinc/23/99/47/494239947.db2.gz FQICKMSRJJWGIA-UHFFFAOYSA-N -1 3 369.808 3.420 20 0 FGADHM CC1(C)c2cc(S(=O)(=O)[N-]c3ccc4c(c3)CCC4)ccc2NC1=O ZINC000088533871 494246403 /nfs/dbraw/zinc/24/64/03/494246403.db2.gz CDZABNQKTXOISL-UHFFFAOYSA-N -1 3 356.447 3.206 20 0 FGADHM COCCN(CCCc1ccccc1)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000065911839 494254600 /nfs/dbraw/zinc/25/46/00/494254600.db2.gz XOXHVIKDCOVTJK-UHFFFAOYSA-N -1 3 364.445 3.250 20 0 FGADHM Cc1cn2c(ncc(C(=O)Nc3cc(C(C)(C)C)ccc3[O-])c2=O)s1 ZINC000089334925 494290751 /nfs/dbraw/zinc/29/07/51/494290751.db2.gz FGZQSFKNUIBEQA-UHFFFAOYSA-N -1 3 357.435 3.320 20 0 FGADHM Cc1nc(C)c(CCC(=O)N[C@H](c2ccc(Cl)cc2)C(C)C)c(=O)[n-]1 ZINC000078407223 494292836 /nfs/dbraw/zinc/29/28/36/494292836.db2.gz ISEDTNYLZZTBLV-SFHVURJKSA-N -1 3 361.873 3.486 20 0 FGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H]1CCCc2ccc(F)cc21 ZINC000089393104 494298994 /nfs/dbraw/zinc/29/89/94/494298994.db2.gz DGSXROZRHUOTJJ-OAHLLOKOSA-N -1 3 357.429 3.322 20 0 FGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@H]2C[C@@H]2c2ccccc2)cc1OC ZINC000066319976 494311225 /nfs/dbraw/zinc/31/12/25/494311225.db2.gz PQQOFMKQXWQZPL-CVEARBPZSA-N -1 3 374.462 3.199 20 0 FGADHM CC[C@](C)([N-]S(=O)(=O)c1cn2c(n1)CCC[C@H]2C)c1nc(C)cs1 ZINC000574178290 505712927 /nfs/dbraw/zinc/71/29/27/505712927.db2.gz KIQQUVHVZGOITJ-WBMJQRKESA-N -1 3 368.528 3.149 20 0 FGADHM CCCCOc1cccc(CNC(=O)c2cc(NC(C)=O)ccc2[O-])c1 ZINC000055282716 494322144 /nfs/dbraw/zinc/32/21/44/494322144.db2.gz VTWIPHOCLWPRAC-UHFFFAOYSA-N -1 3 356.422 3.460 20 0 FGADHM O=C(Nc1ccccc1[O-])C1CCN(CCOc2ccccc2F)CC1 ZINC000015042774 494335418 /nfs/dbraw/zinc/33/54/18/494335418.db2.gz NBUOARSCXAHKRZ-UHFFFAOYSA-N -1 3 358.413 3.261 20 0 FGADHM CC(C)Cc1csc2[n-]c(CC(=O)NCc3ccccc3)nc(=O)c12 ZINC000055501796 494353852 /nfs/dbraw/zinc/35/38/52/494353852.db2.gz DOQQXGPREDGCKJ-UHFFFAOYSA-N -1 3 355.463 3.042 20 0 FGADHM COC(=O)c1sc2[n-]c(Cc3cccc4cccnc43)nc(=O)c2c1C ZINC000055504137 494354015 /nfs/dbraw/zinc/35/40/15/494354015.db2.gz AXDWXVJZQMFUAT-UHFFFAOYSA-N -1 3 365.414 3.219 20 0 FGADHM CC(C)[C@@H]([N-]S(=O)(=O)C1CCCCC1)c1nc(-c2cccnc2)no1 ZINC000066577295 494358697 /nfs/dbraw/zinc/35/86/97/494358697.db2.gz WJWILOUSDWYLMA-OAHLLOKOSA-N -1 3 364.471 3.081 20 0 FGADHM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)C)c2)c(Cl)c1 ZINC000055549433 494358967 /nfs/dbraw/zinc/35/89/67/494358967.db2.gz OYLYXEFSGHJKHQ-UHFFFAOYSA-N -1 3 352.843 3.151 20 0 FGADHM Cc1cc([N-]C(=O)[C@@H](C)N2CCC(c3nc4ccccc4o3)CC2)on1 ZINC000073342358 494360458 /nfs/dbraw/zinc/36/04/58/494360458.db2.gz XWDLWSKENOBIKB-CYBMUJFWSA-N -1 3 354.410 3.331 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)N(C)C)ccc2Cl)cc1F ZINC000055585761 494367006 /nfs/dbraw/zinc/36/70/06/494367006.db2.gz FJMSLSGQIFTMMQ-UHFFFAOYSA-N -1 3 370.833 3.290 20 0 FGADHM O=C([N-]c1nnc(SCc2ccccc2)s1)c1cnn2cccnc12 ZINC000044598535 494367660 /nfs/dbraw/zinc/36/76/60/494367660.db2.gz YWMTVFHUALUTRB-UHFFFAOYSA-N -1 3 368.447 3.125 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)cc2)cc1Cl ZINC000078868278 494373161 /nfs/dbraw/zinc/37/31/61/494373161.db2.gz IDBBAVPKTGBGKZ-UHFFFAOYSA-N -1 3 363.826 3.335 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(OC[C@H]3CCCO3)cc2)cc1 ZINC000055631656 494376877 /nfs/dbraw/zinc/37/68/77/494376877.db2.gz XHZQZIMPSFRMCQ-QGZVFWFLSA-N -1 3 363.435 3.054 20 0 FGADHM C[C@H](COc1ccccc1C(F)(F)F)NC(=O)c1ccc2n[n-]nc2c1 ZINC000055634346 494377427 /nfs/dbraw/zinc/37/74/27/494377427.db2.gz PRWZUBLMZCOYBC-SNVBAGLBSA-N -1 3 364.327 3.174 20 0 FGADHM O=C(NC1CCCC1)c1ccc([N-]S(=O)(=O)CCc2ccccc2)cc1 ZINC000055642055 494379478 /nfs/dbraw/zinc/37/94/78/494379478.db2.gz QKBXCKFUMWHZKQ-UHFFFAOYSA-N -1 3 372.490 3.343 20 0 FGADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C)c(NC(C)=O)c2C)cc1 ZINC000055674453 494386735 /nfs/dbraw/zinc/38/67/35/494386735.db2.gz LMVWVBCEPMPNSK-UHFFFAOYSA-N -1 3 362.451 3.461 20 0 FGADHM Cc1cc(C(=O)[N-]c2cc(-c3nnc4n3CCCCC4)ccc2F)on1 ZINC000073670117 494409654 /nfs/dbraw/zinc/40/96/54/494409654.db2.gz XCGLCRADZVKWDV-UHFFFAOYSA-N -1 3 355.373 3.359 20 0 FGADHM CC[C@H](C)C(=O)Nc1cccc(CNC(=O)c2cc(OC)ccc2[O-])c1 ZINC000079191590 494417448 /nfs/dbraw/zinc/41/74/48/494417448.db2.gz NIPVHXBFFGDIHH-ZDUSSCGKSA-N -1 3 356.422 3.315 20 0 FGADHM COCCc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(Cl)c2)cc1 ZINC000073743542 494421654 /nfs/dbraw/zinc/42/16/54/494421654.db2.gz JKYHMZBFLFTRRA-UHFFFAOYSA-N -1 3 355.843 3.338 20 0 FGADHM CC(C)c1ccsc1C(=O)Nc1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000055995747 494440403 /nfs/dbraw/zinc/44/04/03/494440403.db2.gz OQXWONPBFXPDSC-GOSISDBHSA-N -1 3 357.435 3.178 20 0 FGADHM O=C(CSCc1ccc(Cl)cc1)Nc1nnc(C(F)(F)F)[n-]1 ZINC000045571884 494440770 /nfs/dbraw/zinc/44/07/70/494440770.db2.gz FCWJHGWZWHMLKX-UHFFFAOYSA-N -1 3 350.753 3.349 20 0 FGADHM O=C(CSCc1ccc(Cl)cc1)Nc1nc(C(F)(F)F)n[n-]1 ZINC000045571884 494440774 /nfs/dbraw/zinc/44/07/74/494440774.db2.gz FCWJHGWZWHMLKX-UHFFFAOYSA-N -1 3 350.753 3.349 20 0 FGADHM Cc1nc(C2([N-]S(=O)(=O)c3ccc(Cl)cc3C)CCCC2)no1 ZINC000056054856 494446640 /nfs/dbraw/zinc/44/66/40/494446640.db2.gz JZNAYTBPHSOQPI-UHFFFAOYSA-N -1 3 355.847 3.088 20 0 FGADHM CC(=O)Nc1ccc(Cl)c(NCc2nc(C(F)(F)F)cc(=O)[n-]2)c1 ZINC000090371519 494460481 /nfs/dbraw/zinc/46/04/81/494460481.db2.gz IILAZEMNMAHSRX-UHFFFAOYSA-N -1 3 360.723 3.013 20 0 FGADHM O=S(=O)([N-][C@H](c1ccc(F)cc1)[C@H]1CCCO1)c1ccc(F)c(F)c1 ZINC000056138179 494460572 /nfs/dbraw/zinc/46/05/72/494460572.db2.gz BXOTVYFKPUDLHQ-IAGOWNOFSA-N -1 3 371.380 3.303 20 0 FGADHM C[C@H](Oc1ccc(F)cc1Cl)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000020498982 494474378 /nfs/dbraw/zinc/47/43/78/494474378.db2.gz PYUCELIRAPLQDK-VIFPVBQESA-N -1 3 361.764 3.065 20 0 FGADHM C[C@H](Oc1ccc(F)cc1Cl)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000020498982 494474379 /nfs/dbraw/zinc/47/43/79/494474379.db2.gz PYUCELIRAPLQDK-VIFPVBQESA-N -1 3 361.764 3.065 20 0 FGADHM COCCOc1ccc([C@@H](C)NC(=O)c2ccc(C)cc2[O-])cc1OC ZINC000045967755 494481483 /nfs/dbraw/zinc/48/14/83/494481483.db2.gz FVSUFZKZCIIPHC-CQSZACIVSA-N -1 3 359.422 3.225 20 0 FGADHM CCc1ccc([O-])c(C(=O)NC2CCN(C(=O)c3ccc(C)cc3)CC2)c1 ZINC000067174655 494488958 /nfs/dbraw/zinc/48/89/58/494488958.db2.gz WTRGBCPJBYCKBA-UHFFFAOYSA-N -1 3 366.461 3.298 20 0 FGADHM C[C@@H](SCc1ccccc1)C(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000056409660 494501634 /nfs/dbraw/zinc/50/16/34/494501634.db2.gz SSAMXHUZXBGOIU-CYBMUJFWSA-N -1 3 364.492 3.319 20 0 FGADHM Cc1cc(Cl)ccc1NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000021704948 494504107 /nfs/dbraw/zinc/50/41/07/494504107.db2.gz WRLNUCRLWIGVIG-NSHDSACASA-N -1 3 370.833 3.093 20 0 FGADHM COC[C@@H]([N-]S(=O)(=O)c1ccc(OC(C)C)cc1)c1ccc(C)o1 ZINC000091043761 494516859 /nfs/dbraw/zinc/51/68/59/494516859.db2.gz RLTGORZLDBZAGC-MRXNPFEDSA-N -1 3 353.440 3.041 20 0 FGADHM O=S(=O)([N-]CCOc1ccc(F)cc1)c1cccc(Cl)c1Cl ZINC000022496146 494525784 /nfs/dbraw/zinc/52/57/84/494525784.db2.gz DTJRALIDTZEATR-UHFFFAOYSA-N -1 3 364.225 3.490 20 0 FGADHM O=c1[n-]nc(SCCc2ccc3ccccc3c2)n1C[C@@H]1CCCO1 ZINC000074374992 494526183 /nfs/dbraw/zinc/52/61/83/494526183.db2.gz UIORLJYIHQPHOM-KRWDZBQOSA-N -1 3 355.463 3.238 20 0 FGADHM CCOc1cc(CNC(=O)c2ccc(OC)cc2[O-])ccc1OC(F)F ZINC000046608327 494541702 /nfs/dbraw/zinc/54/17/02/494541702.db2.gz JSWMZPSXMCFNON-UHFFFAOYSA-N -1 3 367.348 3.331 20 0 FGADHM C[C@H](NC(=O)CCn1[n-]c(=O)c2ccccc2c1=O)c1ccccc1Cl ZINC000022979563 494544642 /nfs/dbraw/zinc/54/46/42/494544642.db2.gz MRGKVWLMLALCPB-LBPRGKRZSA-N -1 3 371.824 3.023 20 0 FGADHM O=S(=O)([N-]Cc1ccccc1N1CCCC1)c1ccc(F)cc1F ZINC000079949083 494555124 /nfs/dbraw/zinc/55/51/24/494555124.db2.gz RCNVKGVJMSZEPE-UHFFFAOYSA-N -1 3 352.406 3.044 20 0 FGADHM C[C@@H](C1CC1)N(C(=O)CN1CCC(C(=O)c2ccc([O-])cc2)CC1)C1CC1 ZINC000079949257 494555346 /nfs/dbraw/zinc/55/53/46/494555346.db2.gz XTTAWVHGXCIBTB-HNNXBMFYSA-N -1 3 370.493 3.076 20 0 FGADHM COC(=O)c1cncc(C(=O)[N-]c2nnc(CC3CCCCC3)s2)c1 ZINC000091244839 494572003 /nfs/dbraw/zinc/57/20/03/494572003.db2.gz YIPHHCIGJDPESJ-UHFFFAOYSA-N -1 3 360.439 3.095 20 0 FGADHM CC[C@@H](CC1CCCCC1)C(=O)NCc1ccc(S(=O)(=O)[N-]C)s1 ZINC000074691473 494577595 /nfs/dbraw/zinc/57/75/95/494577595.db2.gz NADAXUALPMXTLE-AWEZNQCLSA-N -1 3 372.556 3.269 20 0 FGADHM COC[C@H](NC(=O)Cc1ccc([O-])cc1Cl)c1ccc(F)c(F)c1 ZINC000091344354 494585254 /nfs/dbraw/zinc/58/52/54/494585254.db2.gz FGALPESYJINGOZ-INIZCTEOSA-N -1 3 355.768 3.370 20 0 FGADHM CCC(CC)c1n[n-]c(=NC(=O)N2CCN(C3CCC3)C[C@H](C)C2)s1 ZINC000577452914 505730137 /nfs/dbraw/zinc/73/01/37/505730137.db2.gz QUCAENIPVFLUQJ-ZDUSSCGKSA-N -1 3 365.547 3.202 20 0 FGADHM Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000121115378 494602755 /nfs/dbraw/zinc/60/27/55/494602755.db2.gz AFPXBGUKKMQZFK-UHFFFAOYSA-N -1 3 360.377 3.011 20 0 FGADHM Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000121115378 494602763 /nfs/dbraw/zinc/60/27/63/494602763.db2.gz AFPXBGUKKMQZFK-UHFFFAOYSA-N -1 3 360.377 3.011 20 0 FGADHM O=S(=O)([N-][C@@H]1CC=CCC1)c1ccc(Br)cc1Cl ZINC000080121832 494604735 /nfs/dbraw/zinc/60/47/35/494604735.db2.gz XUVXCHBGVGBHMK-SNVBAGLBSA-N -1 3 350.665 3.490 20 0 FGADHM O=S(=O)([N-]Cc1ccccc1-n1ccnc1)c1ccc(F)cc1Cl ZINC000057020959 494621970 /nfs/dbraw/zinc/62/19/70/494621970.db2.gz ZYEPNKHABJZSFG-UHFFFAOYSA-N -1 3 365.817 3.143 20 0 FGADHM CCc1ccc([O-])c(C(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)c1 ZINC000121161768 494624924 /nfs/dbraw/zinc/62/49/24/494624924.db2.gz GWIFUXGKWICFAX-HNNXBMFYSA-N -1 3 353.466 3.305 20 0 FGADHM O=S(=O)([N-][C@@H]1CCCc2cc(OC(F)F)ccc21)c1ccccn1 ZINC000131473625 494631674 /nfs/dbraw/zinc/63/16/74/494631674.db2.gz LFHKZHZFCRVTNV-CQSZACIVSA-N -1 3 354.378 3.039 20 0 FGADHM CC(C)Cc1nnc([N-]C(=O)c2cccnc2OCC(F)(F)F)s1 ZINC000024566432 494640779 /nfs/dbraw/zinc/64/07/79/494640779.db2.gz JTGLEGIHHOLIDR-UHFFFAOYSA-N -1 3 360.361 3.325 20 0 FGADHM O=[S@@](Cc1cc2c(cc1Br)OCO2)c1ccc([O-])cc1 ZINC000108086775 494645389 /nfs/dbraw/zinc/64/53/89/494645389.db2.gz LQKQANDAHJBKMD-HXUWFJFHSA-N -1 3 355.209 3.191 20 0 FGADHM CC[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)CCc2ccccc2)cc1 ZINC000057121494 494645847 /nfs/dbraw/zinc/64/58/47/494645847.db2.gz OWNKQWFNICXYJS-HNNXBMFYSA-N -1 3 360.479 3.199 20 0 FGADHM COc1ccccc1[C@@H]([N-]S(=O)(=O)c1ccccc1F)c1ccccn1 ZINC000121214712 494649288 /nfs/dbraw/zinc/64/92/88/494649288.db2.gz BKDVARDCXPXYHB-LJQANCHMSA-N -1 3 372.421 3.297 20 0 FGADHM Cc1nnnn1-c1ccc(F)c([N-]C(=O)c2cc(-c3ccccc3)no2)c1 ZINC000108168970 494656792 /nfs/dbraw/zinc/65/67/92/494656792.db2.gz SUAYJHQJAQNKHK-UHFFFAOYSA-N -1 3 364.340 3.017 20 0 FGADHM C[C@@H](c1ccncc1)N(C)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000126165988 494659868 /nfs/dbraw/zinc/65/98/68/494659868.db2.gz OMDHVABKTMJBLH-NSHDSACASA-N -1 3 364.243 3.452 20 0 FGADHM CC(C)c1cc(C(=O)Nc2cccc(-c3nnn[n-]3)c2)nn1-c1ccccc1 ZINC000131575324 494662815 /nfs/dbraw/zinc/66/28/15/494662815.db2.gz JQFHZRDIOJTDLH-UHFFFAOYSA-N -1 3 373.420 3.428 20 0 FGADHM CC(C)c1cc(C(=O)Nc2cccc(-c3nn[n-]n3)c2)nn1-c1ccccc1 ZINC000131575324 494662822 /nfs/dbraw/zinc/66/28/22/494662822.db2.gz JQFHZRDIOJTDLH-UHFFFAOYSA-N -1 3 373.420 3.428 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(C)(C)CCC(C)=O)c2)n1 ZINC000126212291 494674048 /nfs/dbraw/zinc/67/40/48/494674048.db2.gz XVTXSTVTAWRHIL-UHFFFAOYSA-N -1 3 355.438 3.333 20 0 FGADHM Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(C)c(C)c3[O-])C2)nc1 ZINC000057200382 494676925 /nfs/dbraw/zinc/67/69/25/494676925.db2.gz LRLUTOUOQXUMHA-MRXNPFEDSA-N -1 3 367.449 3.203 20 0 FGADHM [O-]c1ccc(Br)c(CN2CCC(OC[C@H]3CCCO3)CC2)c1 ZINC000092662282 494703468 /nfs/dbraw/zinc/70/34/68/494703468.db2.gz QNWSVFXEDGCLRR-MRXNPFEDSA-N -1 3 370.287 3.315 20 0 FGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000116170112 494721563 /nfs/dbraw/zinc/72/15/63/494721563.db2.gz NSAXARFPBPSYJQ-WDEREUQCSA-N -1 3 366.389 3.079 20 0 FGADHM COC(=O)C[C@H]([N-]S(=O)(=O)c1ccc(C)cc1Cl)c1cccs1 ZINC000025372457 494730923 /nfs/dbraw/zinc/73/09/23/494730923.db2.gz XGRHSJXKAAOKCU-LBPRGKRZSA-N -1 3 373.883 3.293 20 0 FGADHM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(N3CCN(C)CC3)cc2C)c1 ZINC000068038759 494738120 /nfs/dbraw/zinc/73/81/20/494738120.db2.gz HPAAFIKOBDXHPU-UHFFFAOYSA-N -1 3 373.522 3.164 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]C[C@H]2CCCCS2)sc1Br ZINC000126413658 494741685 /nfs/dbraw/zinc/74/16/85/494741685.db2.gz UFRVFNWPTNJOFC-SECBINFHSA-N -1 3 370.359 3.383 20 0 FGADHM Cc1c(C(=O)[N-]c2nc(C(C)(C)C)ns2)nnn1-c1ccc(C)cc1 ZINC000068071564 494750106 /nfs/dbraw/zinc/75/01/06/494750106.db2.gz WRYWVKHVOMULPT-UHFFFAOYSA-N -1 3 356.455 3.285 20 0 FGADHM O=S(=O)([N-]c1ccccc1Br)c1ccc2c(c1)COC2 ZINC000068074791 494751982 /nfs/dbraw/zinc/75/19/82/494751982.db2.gz MSSJGRGTJSVCRX-UHFFFAOYSA-N -1 3 354.225 3.280 20 0 FGADHM COc1ccc([O-])c(C(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000080652195 494753344 /nfs/dbraw/zinc/75/33/44/494753344.db2.gz WKRIJOIXZDHULJ-KRWDZBQOSA-N -1 3 354.450 3.137 20 0 FGADHM CN(CCOc1ccc(F)cc1Cl)Cc1nc2ccsc2c(=O)[n-]1 ZINC000131898325 494767821 /nfs/dbraw/zinc/76/78/21/494767821.db2.gz BAPCNGAYCDPSJC-UHFFFAOYSA-N -1 3 367.833 3.288 20 0 FGADHM Cc1ccccc1[C@@H](C)CC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000116442353 494788333 /nfs/dbraw/zinc/78/83/33/494788333.db2.gz WOTPOCYULFVCST-KRWDZBQOSA-N -1 3 366.461 3.179 20 0 FGADHM CNC(=O)c1sc2[n-]c(Cc3c[nH]c4c3cccc4C)nc(=O)c2c1C ZINC000131993812 494794864 /nfs/dbraw/zinc/79/48/64/494794864.db2.gz IYOPQVYFHPIJPK-UHFFFAOYSA-N -1 3 366.446 3.033 20 0 FGADHM CN(CCCc1cc(-c2ccccc2)no1)C(=O)c1c([O-])cccc1O ZINC000092120640 494796155 /nfs/dbraw/zinc/79/61/55/494796155.db2.gz QICQCNZDWCFVFL-UHFFFAOYSA-N -1 3 352.390 3.458 20 0 FGADHM CC[C@@H](C(=O)N1CCN(C(=O)c2cccc([O-])c2)CC1)c1ccc(F)cc1 ZINC000126666774 494814902 /nfs/dbraw/zinc/81/49/02/494814902.db2.gz CUVSHRAIGLZMHC-LJQANCHMSA-N -1 3 370.424 3.010 20 0 FGADHM COc1cccc(C(=O)Nc2ccc(-c3nnc4n3CCCC4)cc2)c1[O-] ZINC000108982609 494816735 /nfs/dbraw/zinc/81/67/35/494816735.db2.gz XJXOGVDNISTXEX-UHFFFAOYSA-N -1 3 364.405 3.248 20 0 FGADHM COc1ccc(C(=O)N(Cc2ccccc2)C2CCN(C)CC2)c([O-])c1 ZINC000092230269 494816761 /nfs/dbraw/zinc/81/67/61/494816761.db2.gz NLPOLMKEOOIILU-UHFFFAOYSA-N -1 3 354.450 3.137 20 0 FGADHM COC(=O)c1sc2[n-]c(CN(C)[C@H]3CCC[C@@H](C)C3)nc(=O)c2c1C ZINC000026469889 494827236 /nfs/dbraw/zinc/82/72/36/494827236.db2.gz SSUIOCWNVJVHMX-PWSUYJOCSA-N -1 3 363.483 3.090 20 0 FGADHM Cc1cc(F)cc2[nH]c(C(=O)Nc3ccccc3[N-]S(C)(=O)=O)cc21 ZINC000116721898 494843589 /nfs/dbraw/zinc/84/35/89/494843589.db2.gz NJZNLINOZYHYDH-UHFFFAOYSA-N -1 3 361.398 3.239 20 0 FGADHM CCC[C@@H](NC(=O)c1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1)C1CCCCC1 ZINC000132265174 494848359 /nfs/dbraw/zinc/84/83/59/494848359.db2.gz SVLJBUVXHITBAW-DYESRHJHSA-N -1 3 371.481 3.220 20 0 FGADHM CC[C@@H](SC)C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000121816999 494866798 /nfs/dbraw/zinc/86/67/98/494866798.db2.gz MYMBUEBKRVPCRV-LLVKDONJSA-N -1 3 370.418 3.157 20 0 FGADHM CCN(CC)[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1Cl)c1ccco1 ZINC000109390413 494867922 /nfs/dbraw/zinc/86/79/22/494867922.db2.gz MJPQRHNCWQYJQR-CQSZACIVSA-N -1 3 374.865 3.434 20 0 FGADHM CCCS(=O)(=O)[N-]c1ccc(-c2nc(Cc3ccccc3)no2)cc1 ZINC000109494540 494882110 /nfs/dbraw/zinc/88/21/10/494882110.db2.gz QCGGTZHADCNTIC-UHFFFAOYSA-N -1 3 357.435 3.479 20 0 FGADHM CCOc1cc(-c2noc(CN(C)C(C)C)n2)cc(Br)c1[O-] ZINC000109507853 494884172 /nfs/dbraw/zinc/88/41/72/494884172.db2.gz GSTSKORKRCCZKK-UHFFFAOYSA-N -1 3 370.247 3.444 20 0 FGADHM COCCC1(C[N-]S(=O)(=O)c2cc(C(C)=O)ccc2Cl)CCC1 ZINC000132504171 494885303 /nfs/dbraw/zinc/88/53/03/494885303.db2.gz GPDQSEQLVWQGTF-UHFFFAOYSA-N -1 3 359.875 3.028 20 0 FGADHM CC(C)CN(CC(F)(F)F)C(=O)CSc1n[n-]c(-c2ccccn2)n1 ZINC000117112227 494892230 /nfs/dbraw/zinc/89/22/30/494892230.db2.gz SJDHGIUOBTZCJA-UHFFFAOYSA-N -1 3 373.404 3.006 20 0 FGADHM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)cc2)c1 ZINC000132571338 494893900 /nfs/dbraw/zinc/89/39/00/494893900.db2.gz QHZAGNCJWQRZEL-UHFFFAOYSA-N -1 3 355.419 3.266 20 0 FGADHM COc1ccc(C(=O)N2CCC(Oc3ccc(F)cc3F)CC2)c([O-])c1 ZINC000127107896 494894457 /nfs/dbraw/zinc/89/44/57/494894457.db2.gz ZOJYLPMIJKUMCC-UHFFFAOYSA-N -1 3 363.360 3.363 20 0 FGADHM Cc1ccc(-c2nc(SCC(=O)NCc3ccc([O-])c(F)c3)n[nH]2)cc1 ZINC000127138214 494899254 /nfs/dbraw/zinc/89/92/54/494899254.db2.gz GWJLQNYYSDKPCK-UHFFFAOYSA-N -1 3 372.425 3.033 20 0 FGADHM COc1ccccc1-c1nc(NC(=O)C[C@H](C)c2c(C)noc2C)n[n-]1 ZINC000132613607 494899713 /nfs/dbraw/zinc/89/97/13/494899713.db2.gz FZNDYGWTDAMBHO-JTQLQIEISA-N -1 3 355.398 3.217 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)c1cnc(-c2ccc3c(c2)OCO3)s1 ZINC000132662621 494906175 /nfs/dbraw/zinc/90/61/75/494906175.db2.gz WHJLYDHCWGWOAC-UHFFFAOYSA-N -1 3 372.377 3.314 20 0 FGADHM O=S(=O)([N-]CC1CCCCC1)c1cc(Br)ccc1F ZINC000109819282 494921089 /nfs/dbraw/zinc/92/10/89/494921089.db2.gz LARQYPYVDNKYNU-UHFFFAOYSA-N -1 3 350.253 3.447 20 0 FGADHM CCCN(Cc1cc(=O)n2[n-]ccc2n1)[C@@H]1C[C@H](OCC)C12CCCCC2 ZINC000127367001 494934754 /nfs/dbraw/zinc/93/47/54/494934754.db2.gz AGMOPQJOKXEZFG-MSOLQXFVSA-N -1 3 372.513 3.363 20 0 FGADHM CC[C@@H]([N-]S(=O)(=O)c1c[nH]c2nccc(Cl)c12)c1nccs1 ZINC000093917571 494934945 /nfs/dbraw/zinc/93/49/45/494934945.db2.gz HRHMECAMBNWIJQ-SECBINFHSA-N -1 3 356.860 3.102 20 0 FGADHM O=C(c1cc(OCc2ccccc2)ccc1[O-])N1CCCC[C@H]1CCO ZINC000093940998 494937706 /nfs/dbraw/zinc/93/77/06/494937706.db2.gz NRVZWYQOVMGACI-KRWDZBQOSA-N -1 3 355.434 3.348 20 0 FGADHM CNC(=O)c1ccc(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)cc1Cl ZINC000094032966 494941712 /nfs/dbraw/zinc/94/17/12/494941712.db2.gz PTCIPYBMCMHZFC-UHFFFAOYSA-N -1 3 374.824 3.371 20 0 FGADHM NC(=O)C[C@@H]1CCCCN1C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000094070086 494946168 /nfs/dbraw/zinc/94/61/68/494946168.db2.gz TVXVASFSODUTHC-SFHVURJKSA-N -1 3 366.461 3.048 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)N[C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000133043302 494960496 /nfs/dbraw/zinc/96/04/96/494960496.db2.gz XZGYBPORYLIJAN-YJBOKZPZSA-N -1 3 358.413 3.498 20 0 FGADHM CC(C)CC(=O)Nc1ccc(NC(=O)[N-]c2nnc3ccccn32)cc1 ZINC000118024023 494971505 /nfs/dbraw/zinc/97/15/05/494971505.db2.gz ABPSVWRRDJFOPX-UHFFFAOYSA-N -1 3 352.398 3.358 20 0 FGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1cccc(OCc2cccnc2)c1 ZINC000122488729 494983868 /nfs/dbraw/zinc/98/38/68/494983868.db2.gz MVCHQJJWUMHPGO-UHFFFAOYSA-N -1 3 372.388 3.093 20 0 FGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1cccc(OCc2cccnc2)c1 ZINC000122488729 494983872 /nfs/dbraw/zinc/98/38/72/494983872.db2.gz MVCHQJJWUMHPGO-UHFFFAOYSA-N -1 3 372.388 3.093 20 0 FGADHM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-][C@@H](C)[C@H](C)c1ccccc1 ZINC000133242136 494989712 /nfs/dbraw/zinc/98/97/12/494989712.db2.gz FUCJMDWMHWCYKN-STQMWFEESA-N -1 3 365.426 3.083 20 0 FGADHM COc1ccc([O-])c2nc(/C=C/c3cnc(N4CCOCC4)s3)ccc12 ZINC000577571830 505755178 /nfs/dbraw/zinc/75/51/78/505755178.db2.gz WDDOLAMEEXIDBU-DUXPYHPUSA-N -1 3 369.446 3.413 20 0 FGADHM Cn1nc(C(C)(C)C)cc1C(=O)Nc1n[n-]c(-c2ccccc2Cl)n1 ZINC000118493970 495006273 /nfs/dbraw/zinc/00/62/73/495006273.db2.gz GDVZBJWOJLSYAP-UHFFFAOYSA-N -1 3 358.833 3.408 20 0 FGADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3c(F)ccc(F)c3F)cc2)n1 ZINC000133379012 495007518 /nfs/dbraw/zinc/00/75/18/495007518.db2.gz RBPCHRBTMNZOAB-UHFFFAOYSA-N -1 3 359.307 3.415 20 0 FGADHM O=S(=O)(Cc1c(F)cccc1F)[N-]Cc1nc2ccccc2s1 ZINC000122649250 495010076 /nfs/dbraw/zinc/01/00/76/495010076.db2.gz UAIWTHOGFKHZBE-UHFFFAOYSA-N -1 3 354.403 3.194 20 0 FGADHM Cc1nc(C)c(CC(=O)Nc2nc(-c3ccccc3Cl)cs2)c(=O)[n-]1 ZINC000110813328 495011131 /nfs/dbraw/zinc/01/11/31/495011131.db2.gz SIKGUOVYLZFWMW-UHFFFAOYSA-N -1 3 374.853 3.345 20 0 FGADHM CO[C@H]([C@H](C)[N-]S(=O)(=O)c1ccc(-c2csc(C)n2)s1)C1CC1 ZINC000574369788 505756346 /nfs/dbraw/zinc/75/63/46/505756346.db2.gz UNARKRMGTSORPR-BJOHPYRUSA-N -1 3 372.537 3.272 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Cc1ccc([C@H]2CN(C(=O)c3c[n-]c4c(C)cc(F)cc4c3=O)CCO2)o1 ZINC000154233684 495552825 /nfs/dbraw/zinc/55/28/25/495552825.db2.gz YDZIOSITJGKZGA-QGZVFWFLSA-N -1 3 370.380 3.091 20 0 FGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]Cc1ccc(F)c(C)c1 ZINC000158696871 495569201 /nfs/dbraw/zinc/56/92/01/495569201.db2.gz SRQGPYFAJFOWJX-UHFFFAOYSA-N -1 3 371.817 3.053 20 0 FGADHM CCc1ccc([C@@H](COC)NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)o1 ZINC000154333433 495584486 /nfs/dbraw/zinc/58/44/86/495584486.db2.gz OYLNLUNSSJITEI-MRXNPFEDSA-N -1 3 372.396 3.249 20 0 FGADHM CCCN(CC(=O)N(C)C)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000179456461 495598795 /nfs/dbraw/zinc/59/87/95/495598795.db2.gz PLLIEVLUPTXAFD-UHFFFAOYSA-N -1 3 356.422 3.125 20 0 FGADHM CC[C@H](C(=O)N1CCC([N-]C(=O)C(F)(F)C(F)F)CC1)c1ccccc1 ZINC000176320462 495599147 /nfs/dbraw/zinc/59/91/47/495599147.db2.gz AKVLVVFYDNLSFI-AWEZNQCLSA-N -1 3 374.378 3.188 20 0 FGADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2c(F)cccc2NC(C)C)cc1 ZINC000158866302 495604767 /nfs/dbraw/zinc/60/47/67/495604767.db2.gz DDWKZDIDTNTDMZ-UHFFFAOYSA-N -1 3 366.414 3.233 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N2CCC[C@@H]2c2cccc(F)c2)c([O-])c1 ZINC000170827681 495618537 /nfs/dbraw/zinc/61/85/37/495618537.db2.gz GKGQQINYCQLUNC-GOSISDBHSA-N -1 3 370.424 3.323 20 0 FGADHM COc1ccc(NCc2ccc(SC)cc2)cc1[N-]S(C)(=O)=O ZINC000158949499 495623748 /nfs/dbraw/zinc/62/37/48/495623748.db2.gz RLGBCFUQUPOEEA-UHFFFAOYSA-N -1 3 352.481 3.401 20 0 FGADHM Cc1cc(C)n(-c2ccc([C@H](C)NC(=O)c3ccc(O)cc3[O-])cc2)n1 ZINC000179519609 495626838 /nfs/dbraw/zinc/62/68/38/495626838.db2.gz WHDAJIDWKCNLRN-AWEZNQCLSA-N -1 3 351.406 3.391 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2C[C@@H]3CCCC[C@H]3C2)c1 ZINC000179538237 495633367 /nfs/dbraw/zinc/63/33/67/495633367.db2.gz QVCNYKHEJRYSGH-KBPBESRZSA-N -1 3 369.421 3.203 20 0 FGADHM Cc1c(C(=O)Nc2c(C)cccc2[O-])nnn1-c1cccc2cccnc21 ZINC000179552978 495638243 /nfs/dbraw/zinc/63/82/43/495638243.db2.gz JPGUMOSTWIQCPA-UHFFFAOYSA-N -1 3 359.389 3.390 20 0 FGADHM CC(C)[C@@H]1CCC[C@@H](NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])C1 ZINC000170903127 495647996 /nfs/dbraw/zinc/64/79/96/495647996.db2.gz BCZOLSYUEHVOCN-NUJGCVRESA-N -1 3 358.482 3.328 20 0 FGADHM CCc1ccc(NC(=O)N2CCN(C(=O)c3cccc([O-])c3)CC2)cc1F ZINC000159078565 495652627 /nfs/dbraw/zinc/65/26/27/495652627.db2.gz RJIPBMXOSIQPOV-UHFFFAOYSA-N -1 3 371.412 3.084 20 0 FGADHM COC(=O)CCc1csc(NC(=O)c2c[n-]nc2-c2ccc(F)cc2)n1 ZINC000159095235 495657655 /nfs/dbraw/zinc/65/76/55/495657655.db2.gz NHTCXJMHBGVKFI-UHFFFAOYSA-N -1 3 374.397 3.030 20 0 FGADHM O=C(Nc1cc(F)ccc1[O-])[C@@H]1COc2ccc(Br)cc21 ZINC000179646848 495676566 /nfs/dbraw/zinc/67/65/66/495676566.db2.gz SZATZZSDQHIPSP-LLVKDONJSA-N -1 3 352.159 3.409 20 0 FGADHM C[C@@]1(C(=O)[O-])CCCN(Cc2nc3ccc(Br)cc3[nH]2)C1 ZINC000568871605 505797262 /nfs/dbraw/zinc/79/72/62/505797262.db2.gz GCUKHSAMLVOECR-OAHLLOKOSA-N -1 3 352.232 3.012 20 0 FGADHM CCC(CC)(CO)C[N-]S(=O)(=O)c1ccc(-c2csc(C)n2)s1 ZINC000159229752 495688950 /nfs/dbraw/zinc/68/89/50/495688950.db2.gz UHCQHAYFIPSXAJ-UHFFFAOYSA-N -1 3 374.553 3.257 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N(CC(C)C)C(C)C)c1 ZINC000185727809 495699590 /nfs/dbraw/zinc/69/95/90/495699590.db2.gz LPNAUHVFELJEAP-UHFFFAOYSA-N -1 3 359.426 3.448 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)NCCCc3cccc(F)c3)c[n-]c12 ZINC000151076331 495731439 /nfs/dbraw/zinc/73/14/39/495731439.db2.gz UKALWVQSAUTBCM-UHFFFAOYSA-N -1 3 356.372 3.477 20 0 FGADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)Nc1nccs1 ZINC000182879246 495739259 /nfs/dbraw/zinc/73/92/59/495739259.db2.gz FLUTXVGIENJZCX-INIZCTEOSA-N -1 3 367.430 3.349 20 0 FGADHM CN1CC[C@@H](NC(=O)c2ccc(O)cc2[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000182904443 495750648 /nfs/dbraw/zinc/75/06/48/495750648.db2.gz TYWJYWDAWKVCDE-WBVHZDCISA-N -1 3 364.804 3.066 20 0 FGADHM O=C(CCCNC(=O)c1ccc(F)cc1F)N1CCCc2cccc([O-])c21 ZINC000182908023 495751425 /nfs/dbraw/zinc/75/14/25/495751425.db2.gz SFHBFNQEDYNWND-UHFFFAOYSA-N -1 3 374.387 3.160 20 0 FGADHM CN(C)S(=O)(=O)c1ccc(F)c([N-]C(=O)c2cc(Cl)ccc2F)c1 ZINC000151175718 495762420 /nfs/dbraw/zinc/76/24/20/495762420.db2.gz FHTZMIHEZZIAKJ-UHFFFAOYSA-N -1 3 374.796 3.121 20 0 FGADHM O=C(c1ccc2c(c1)NC(=O)CCS2)N1CCCc2cccc([O-])c21 ZINC000182932928 495763090 /nfs/dbraw/zinc/76/30/90/495763090.db2.gz FZXHFIGTBHGTFN-UHFFFAOYSA-N -1 3 354.431 3.420 20 0 FGADHM O=C(c1cc(F)cc2[n-]nnc21)N1CCC[C@@H](Oc2ccccc2Cl)C1 ZINC000577838493 505802318 /nfs/dbraw/zinc/80/23/18/505802318.db2.gz WUSNTBRBBDCJLF-GFCCVEGCSA-N -1 3 374.803 3.434 20 0 FGADHM O=C(c1cc(F)cc2nn[n-]c21)N1CCC[C@@H](Oc2ccccc2Cl)C1 ZINC000577838493 505802320 /nfs/dbraw/zinc/80/23/20/505802320.db2.gz WUSNTBRBBDCJLF-GFCCVEGCSA-N -1 3 374.803 3.434 20 0 FGADHM O=C(c1cc(F)cc2n[n-]nc21)N1CCC[C@@H](Oc2ccccc2Cl)C1 ZINC000577838493 505802323 /nfs/dbraw/zinc/80/23/23/505802323.db2.gz WUSNTBRBBDCJLF-GFCCVEGCSA-N -1 3 374.803 3.434 20 0 FGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)CSc2ccccc2)c1 ZINC000173973143 495770267 /nfs/dbraw/zinc/77/02/67/495770267.db2.gz NKKNXMYQZWOMTH-UHFFFAOYSA-N -1 3 350.465 3.097 20 0 FGADHM O=C(c1cccs1)N1CCC(C(=O)N2CCCc3cccc([O-])c32)CC1 ZINC000182950821 495771964 /nfs/dbraw/zinc/77/19/64/495771964.db2.gz HAFGXLSMCSBQLT-UHFFFAOYSA-N -1 3 370.474 3.285 20 0 FGADHM CC(C)c1nnc([N-]C(=O)c2cn(-c3cccc(Cl)c3F)nn2)s1 ZINC000182960736 495776173 /nfs/dbraw/zinc/77/61/73/495776173.db2.gz FJRJUNZYOYXTNV-UHFFFAOYSA-N -1 3 366.809 3.287 20 0 FGADHM C[C@H]1CCC[C@H](OCC(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)C1 ZINC000151239054 495781361 /nfs/dbraw/zinc/78/13/61/495781361.db2.gz WIEHNZRESOOSQZ-RDJZCZTQSA-N -1 3 374.481 3.165 20 0 FGADHM COc1ccc(C(=O)N2CCN(Cc3ccccc3Cl)CC2)c([O-])c1 ZINC000151292306 495796677 /nfs/dbraw/zinc/79/66/77/495796677.db2.gz LZNGFVNFYIJRMH-UHFFFAOYSA-N -1 3 360.841 3.012 20 0 FGADHM CSCc1cc(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)ccc1F ZINC000174061742 495806583 /nfs/dbraw/zinc/80/65/83/495806583.db2.gz NTWKVRBWLFALHG-UHFFFAOYSA-N -1 3 368.455 3.313 20 0 FGADHM Cc1cccc([O-])c1NC(=O)CN1c2cccc3cccc(c23)S1(=O)=O ZINC000183043105 495811369 /nfs/dbraw/zinc/81/13/69/495811369.db2.gz UNUMMENILWGDHU-UHFFFAOYSA-N -1 3 368.414 3.001 20 0 FGADHM Cc1ccc2c(ncc(C(=O)[O-])c2N2CCN(Cc3ccco3)CC2)c1C ZINC000577853903 505805482 /nfs/dbraw/zinc/80/54/82/505805482.db2.gz ZIBYYSBHYABJGE-UHFFFAOYSA-N -1 3 365.433 3.465 20 0 FGADHM C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N=c1cc2ccccn2[n-]1 ZINC000568911174 505806228 /nfs/dbraw/zinc/80/62/28/505806228.db2.gz BHGSJDZAHRAJCH-SNVBAGLBSA-N -1 3 350.205 3.469 20 0 FGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)c2ccc3c(c2)CC(C)(C)O3)c1 ZINC000574575603 505806402 /nfs/dbraw/zinc/80/64/02/505806402.db2.gz TWBXPINANLEGHV-UHFFFAOYSA-N -1 3 374.462 3.332 20 0 FGADHM CCCCCN(CC(N)=O)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000183091166 495830641 /nfs/dbraw/zinc/83/06/41/495830641.db2.gz FIWXXVQNOLHHSX-UHFFFAOYSA-N -1 3 356.422 3.302 20 0 FGADHM O=C(Nc1ccc(OCC2CCOCC2)cc1)c1cccc2nn[n-]c21 ZINC000180041477 495833740 /nfs/dbraw/zinc/83/37/40/495833740.db2.gz RDNKGUCYSSYQNS-UHFFFAOYSA-N -1 3 352.394 3.016 20 0 FGADHM O=C(Nc1ccc(OCC2CCOCC2)cc1)c1cccc2[n-]nnc21 ZINC000180041477 495833747 /nfs/dbraw/zinc/83/37/47/495833747.db2.gz RDNKGUCYSSYQNS-UHFFFAOYSA-N -1 3 352.394 3.016 20 0 FGADHM O=C(Nc1ccc(OCC2CCOCC2)cc1)c1cccc2n[n-]nc21 ZINC000180041477 495833751 /nfs/dbraw/zinc/83/37/51/495833751.db2.gz RDNKGUCYSSYQNS-UHFFFAOYSA-N -1 3 352.394 3.016 20 0 FGADHM Cc1nc(C)c(S(=O)(=O)[N-]Cc2ccccc2OC2CCC2)s1 ZINC000176928581 495844609 /nfs/dbraw/zinc/84/46/09/495844609.db2.gz ZZMBDYXQNHVQEW-UHFFFAOYSA-N -1 3 352.481 3.170 20 0 FGADHM CCC1([N-]S(=O)(=O)c2cc(F)c(Br)cc2OC)CCC1 ZINC000180082020 495849121 /nfs/dbraw/zinc/84/91/21/495849121.db2.gz JTJIFIGJRXDFIY-UHFFFAOYSA-N -1 3 366.252 3.208 20 0 FGADHM Cc1nc2ccccc2n1CCC[N-]S(=O)(=O)c1c(C)cccc1F ZINC000186119082 495862210 /nfs/dbraw/zinc/86/22/10/495862210.db2.gz USNLIUWARWWLLD-UHFFFAOYSA-N -1 3 361.442 3.161 20 0 FGADHM O=C(NCc1ccc([O-])c(Br)c1)c1c[nH]nc1-c1ccccc1 ZINC000151515293 495864292 /nfs/dbraw/zinc/86/42/92/495864292.db2.gz FDHVEPMEKVKAET-UHFFFAOYSA-N -1 3 372.222 3.475 20 0 FGADHM CCCC(C)(C)NC(=O)Cc1csc(NC(=O)c2cccc([O-])c2)n1 ZINC000180116357 495864879 /nfs/dbraw/zinc/86/48/79/495864879.db2.gz ZFOHVAQPHQEAMG-UHFFFAOYSA-N -1 3 361.467 3.338 20 0 FGADHM CC(C)(C)C(=O)NCc1ccc(C(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000174210101 495866015 /nfs/dbraw/zinc/86/60/15/495866015.db2.gz IUFYEYGQGFXCMR-UHFFFAOYSA-N -1 3 358.413 3.124 20 0 FGADHM CCCCn1ncc(C(=O)Nc2n[n-]c(-c3ccccc3OC)n2)c1C ZINC000155196455 495871032 /nfs/dbraw/zinc/87/10/32/495871032.db2.gz RSWPNOBMQIVLOX-UHFFFAOYSA-N -1 3 354.414 3.038 20 0 FGADHM Cc1ccc(CN2CCSCC2)cc1NC(=O)c1ccc(O)cc1[O-] ZINC000171445712 495878039 /nfs/dbraw/zinc/87/80/39/495878039.db2.gz UDAPLQPEBUBIHN-UHFFFAOYSA-N -1 3 358.463 3.207 20 0 FGADHM O=C(Nc1ccc2c(c1)OCO2)C1CCN(Cc2cc([O-])cc(F)c2)CC1 ZINC000186166248 495879762 /nfs/dbraw/zinc/87/97/62/495879762.db2.gz NNQIWNDFQLYFRE-UHFFFAOYSA-N -1 3 372.396 3.111 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C)c2ccccc2)c1 ZINC000186171631 495882310 /nfs/dbraw/zinc/88/23/10/495882310.db2.gz VZKSUNURMWWLHD-LBPRGKRZSA-N -1 3 365.389 3.432 20 0 FGADHM CC(C)C[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000186181393 495887353 /nfs/dbraw/zinc/88/73/53/495887353.db2.gz QSBGHJSAKMNBJI-AWEZNQCLSA-N -1 3 361.891 3.222 20 0 FGADHM CCC(C)(C)[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000186187967 495889780 /nfs/dbraw/zinc/88/97/80/495889780.db2.gz VBTLVGGVWUAJBA-LBPRGKRZSA-N -1 3 361.891 3.222 20 0 FGADHM Cc1ccc(OCC(=O)NCc2ccc([O-])c(Br)c2)cc1C ZINC000151617831 495895850 /nfs/dbraw/zinc/89/58/50/495895850.db2.gz SLFYJNCGGVFZQE-UHFFFAOYSA-N -1 3 364.239 3.467 20 0 FGADHM COC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)s1)c1ccc(F)c(F)c1 ZINC000180188148 495898275 /nfs/dbraw/zinc/89/82/75/495898275.db2.gz PZQSAHZHMVNVHC-LLVKDONJSA-N -1 3 367.826 3.346 20 0 FGADHM O=S(=O)([N-][C@@H]1CCN(c2ccc(F)c(Cl)c2)C1)c1cccs1 ZINC000183259047 495903458 /nfs/dbraw/zinc/90/34/58/495903458.db2.gz JBWZDCRMSPGUTG-SNVBAGLBSA-N -1 3 360.863 3.098 20 0 FGADHM CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1ccc([O-])cc1F ZINC000183260541 495905376 /nfs/dbraw/zinc/90/53/76/495905376.db2.gz YPOMTQFESMTACY-ORAYPTAESA-N -1 3 370.424 3.469 20 0 FGADHM Cc1ccc(-c2nnc(NC(=O)Cc3coc(-c4ccc(F)cc4)n3)[n-]2)o1 ZINC000160208483 495909310 /nfs/dbraw/zinc/90/93/10/495909310.db2.gz FAWXNKNKZKZEJL-UHFFFAOYSA-N -1 3 367.340 3.348 20 0 FGADHM Cc1ccc(-c2n[n-]c(NC(=O)Cc3coc(-c4ccc(F)cc4)n3)n2)o1 ZINC000160208483 495909316 /nfs/dbraw/zinc/90/93/16/495909316.db2.gz FAWXNKNKZKZEJL-UHFFFAOYSA-N -1 3 367.340 3.348 20 0 FGADHM Cc1ccc(-c2nc(NC(=O)Cc3coc(-c4ccc(F)cc4)n3)n[n-]2)o1 ZINC000160208483 495909324 /nfs/dbraw/zinc/90/93/24/495909324.db2.gz FAWXNKNKZKZEJL-UHFFFAOYSA-N -1 3 367.340 3.348 20 0 FGADHM CCOC(=O)c1cc(NC(=O)C[C@H](C)C(=O)c2ccc(Cl)cc2)n[n-]1 ZINC000183284608 495916125 /nfs/dbraw/zinc/91/61/25/495916125.db2.gz VQGMGVYRZCBZLI-JTQLQIEISA-N -1 3 363.801 3.087 20 0 FGADHM CCOC(=O)c1cc(NC(=O)C[C@H](C)C(=O)c2ccc(Cl)cc2)[n-]n1 ZINC000183284608 495916132 /nfs/dbraw/zinc/91/61/32/495916132.db2.gz VQGMGVYRZCBZLI-JTQLQIEISA-N -1 3 363.801 3.087 20 0 FGADHM Cc1ccc(CCC(=O)NCC(=O)N2CC[C@@H](C)c3cccc([O-])c32)cc1 ZINC000186258674 495917228 /nfs/dbraw/zinc/91/72/28/495917228.db2.gz PENGDTXJVQQTCN-MRXNPFEDSA-N -1 3 366.461 3.290 20 0 FGADHM COCc1cccc(S(=O)(=O)[N-][C@H](CC(C)(C)C)C(F)(F)F)c1 ZINC000183303566 495922864 /nfs/dbraw/zinc/92/28/64/495922864.db2.gz MVGNWQABCLDPOS-CYBMUJFWSA-N -1 3 353.406 3.478 20 0 FGADHM COc1ccc(C[C@H](C)[N-]S(=O)(=O)c2ccc(C)cc2F)cc1OC ZINC000171599409 495944975 /nfs/dbraw/zinc/94/49/75/495944975.db2.gz MCJBCYKHTNQLAS-ZDUSSCGKSA-N -1 3 367.442 3.061 20 0 FGADHM O=C([N-]c1ncn(Cc2ccc(Cl)cc2)n1)c1noc2c1CCCCC2 ZINC000155424750 495953073 /nfs/dbraw/zinc/95/30/73/495953073.db2.gz WTWLBFJHIZGOIY-UHFFFAOYSA-N -1 3 371.828 3.489 20 0 FGADHM CC[C@H]1CCC[C@@H]1NC(=O)Cc1csc(NC(=O)c2cccc([O-])c2)n1 ZINC000155479164 495968684 /nfs/dbraw/zinc/96/86/84/495968684.db2.gz IDZJVOGCPPUIDH-LRDDRELGSA-N -1 3 373.478 3.338 20 0 FGADHM COC1(C[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CCC1 ZINC000180379700 495972775 /nfs/dbraw/zinc/97/27/75/495972775.db2.gz PIKVEYLBOHSLSO-UHFFFAOYSA-N -1 3 357.781 3.206 20 0 FGADHM COC(=O)c1c(C)nc(=O)[n-]c1S[C@@H](C)c1ncc(C(C)(C)C)o1 ZINC000177217257 495981998 /nfs/dbraw/zinc/98/19/98/495981998.db2.gz MFDYOUMKXWNACX-VIFPVBQESA-N -1 3 351.428 3.004 20 0 FGADHM C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000183442694 495985003 /nfs/dbraw/zinc/98/50/03/495985003.db2.gz MTNWSQXZPXHILK-LLVKDONJSA-N -1 3 369.812 3.368 20 0 FGADHM C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000183442694 495985008 /nfs/dbraw/zinc/98/50/08/495985008.db2.gz MTNWSQXZPXHILK-LLVKDONJSA-N -1 3 369.812 3.368 20 0 FGADHM C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000183442694 495985016 /nfs/dbraw/zinc/98/50/16/495985016.db2.gz MTNWSQXZPXHILK-LLVKDONJSA-N -1 3 369.812 3.368 20 0 FGADHM CCCNC(=O)c1ccc(NC(=O)c2cccc3nn[n-]c32)cc1Cl ZINC000183467558 495997331 /nfs/dbraw/zinc/99/73/31/495997331.db2.gz XJEBXMJTAZXJCC-UHFFFAOYSA-N -1 3 357.801 3.003 20 0 FGADHM CCCNC(=O)c1ccc(NC(=O)c2cccc3[n-]nnc32)cc1Cl ZINC000183467558 495997337 /nfs/dbraw/zinc/99/73/37/495997337.db2.gz XJEBXMJTAZXJCC-UHFFFAOYSA-N -1 3 357.801 3.003 20 0 FGADHM CCCNC(=O)c1ccc(NC(=O)c2cccc3n[n-]nc32)cc1Cl ZINC000183467558 495997345 /nfs/dbraw/zinc/99/73/45/495997345.db2.gz XJEBXMJTAZXJCC-UHFFFAOYSA-N -1 3 357.801 3.003 20 0 FGADHM CCC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)cc1 ZINC000171704245 495997770 /nfs/dbraw/zinc/99/77/70/495997770.db2.gz RBFGXGIZYJKCSS-LBPRGKRZSA-N -1 3 360.435 3.159 20 0 FGADHM CSc1ccsc1C(=O)Nc1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000171735940 496013816 /nfs/dbraw/zinc/01/38/16/496013816.db2.gz ZKTZIWRZRWOMDU-UHFFFAOYSA-N -1 3 360.457 3.233 20 0 FGADHM O=C(N[C@H]1CCCc2cc(OC(F)F)ccc21)c1cccc2nn[n-]c21 ZINC000183511852 496015526 /nfs/dbraw/zinc/01/55/26/496015526.db2.gz WRJNAQCYBLSOQA-AWEZNQCLSA-N -1 3 358.348 3.367 20 0 FGADHM O=C(N[C@H]1CCCc2cc(OC(F)F)ccc21)c1cccc2[n-]nnc21 ZINC000183511852 496015528 /nfs/dbraw/zinc/01/55/28/496015528.db2.gz WRJNAQCYBLSOQA-AWEZNQCLSA-N -1 3 358.348 3.367 20 0 FGADHM O=C(N[C@H]1CCCc2cc(OC(F)F)ccc21)c1cccc2n[n-]nc21 ZINC000183511852 496015530 /nfs/dbraw/zinc/01/55/30/496015530.db2.gz WRJNAQCYBLSOQA-AWEZNQCLSA-N -1 3 358.348 3.367 20 0 FGADHM Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)/N=c2\cc[n-]n2C(C)C)cc1 ZINC000174575705 496017666 /nfs/dbraw/zinc/01/76/66/496017666.db2.gz NOJDFCUQYTYDFS-CNCUKHBHSA-N -1 3 356.470 3.484 20 0 FGADHM CC[C@@H]1CCCCN1C(=O)Cc1csc(NC(=O)c2cccc([O-])c2)n1 ZINC000177394551 496045568 /nfs/dbraw/zinc/04/55/68/496045568.db2.gz DCVWNSUDIDZAJY-OAHLLOKOSA-N -1 3 373.478 3.435 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-][C@H]1CCOc2c(Cl)cccc21 ZINC000155783355 496067627 /nfs/dbraw/zinc/06/76/27/496067627.db2.gz JJJYUKTWRHXRPP-NSHDSACASA-N -1 3 359.856 3.212 20 0 FGADHM O=C(c1cccc([O-])c1)N1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)CC1 ZINC000155797430 496072851 /nfs/dbraw/zinc/07/28/51/496072851.db2.gz DSTFRYDJBZSLQU-ZHALLVOQSA-N -1 3 370.493 3.283 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-]CCOc1ccc2ccccc2c1 ZINC000177490473 496083657 /nfs/dbraw/zinc/08/36/57/496083657.db2.gz BWSNYHJAQJDINE-UHFFFAOYSA-N -1 3 363.460 3.267 20 0 FGADHM CN1CCCN(c2ccc(NC(=O)c3cc(F)c([O-])c(F)c3)cc2)CC1 ZINC000186640487 496086184 /nfs/dbraw/zinc/08/61/84/496086184.db2.gz MZBFUSFHDXNVCZ-UHFFFAOYSA-N -1 3 361.392 3.065 20 0 FGADHM O=c1cc(C[S@](=O)CCCOc2ccc(Cl)cc2)nc(C2CC2)[n-]1 ZINC000568974146 505822778 /nfs/dbraw/zinc/82/27/78/505822778.db2.gz KPPRFCLQMSSGSE-XMMPIXPASA-N -1 3 366.870 3.431 20 0 FGADHM COc1cc(Cl)c(S(=O)(=O)[N-]C[C@@H]2CCCS2)cc1Cl ZINC000152302581 496109426 /nfs/dbraw/zinc/10/94/26/496109426.db2.gz ORKOKTYWRDDDEV-QMMMGPOBSA-N -1 3 356.296 3.176 20 0 FGADHM CC(C)(CO)[C@@H](CNC(=O)c1c[n-]c2ccccc2c1=O)c1ccccc1 ZINC000152316917 496114450 /nfs/dbraw/zinc/11/44/50/496114450.db2.gz GQBSCPAXYIQJSP-SFHVURJKSA-N -1 3 364.445 3.060 20 0 FGADHM COc1cccc(OC)c1CC(=O)Nc1ccc(Br)cc1[O-] ZINC000155951314 496116133 /nfs/dbraw/zinc/11/61/33/496116133.db2.gz GZTIGQWVYUMXJT-UHFFFAOYSA-N -1 3 366.211 3.353 20 0 FGADHM Cc1ccc(F)c([N-]S(=O)(=O)CCOCC2CC2)c1Br ZINC000568989400 505824901 /nfs/dbraw/zinc/82/49/01/505824901.db2.gz HUUZPOMZEGKASW-UHFFFAOYSA-N -1 3 366.252 3.065 20 0 FGADHM Cn1c(NC(=O)c2c[n-]c3ccccc3c2=O)nc2cccc(Cl)c21 ZINC000183849421 496135865 /nfs/dbraw/zinc/13/58/65/496135865.db2.gz QRHVYAODOSMNTF-UHFFFAOYSA-N -1 3 352.781 3.321 20 0 FGADHM Cn1c(NC(=O)c2cnc3ccccc3c2[O-])nc2cccc(Cl)c21 ZINC000183849421 496135870 /nfs/dbraw/zinc/13/58/70/496135870.db2.gz QRHVYAODOSMNTF-UHFFFAOYSA-N -1 3 352.781 3.321 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]CC[C@@H]2CCCCO2)sc1Br ZINC000180772451 496140972 /nfs/dbraw/zinc/14/09/72/496140972.db2.gz UTQIYGGBRKMRHU-JTQLQIEISA-N -1 3 368.318 3.057 20 0 FGADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]Cc1ccc(C(F)F)cc1 ZINC000183866095 496142109 /nfs/dbraw/zinc/14/21/09/496142109.db2.gz WCCIPOGTVDNLDE-UHFFFAOYSA-N -1 3 373.352 3.028 20 0 FGADHM COc1cc(OC)c([N-]S(=O)(=O)CCC2CC2)cc1Br ZINC000156057600 496146082 /nfs/dbraw/zinc/14/60/82/496146082.db2.gz GGVGARMPFUFHSP-UHFFFAOYSA-N -1 3 364.261 3.008 20 0 FGADHM CC1CCN(c2ccc(CNC(=O)NCc3ccc([O-])c(F)c3)cn2)CC1 ZINC000156084018 496153478 /nfs/dbraw/zinc/15/34/78/496153478.db2.gz RHLBXPBPJOOIAH-UHFFFAOYSA-N -1 3 372.444 3.162 20 0 FGADHM Cc1ccc(C(=O)N2C[C@@H]3CC[C@@H](NC(=O)OC(C)(C)C)[C@@H]3C2)c([O-])c1 ZINC000183952421 496173953 /nfs/dbraw/zinc/17/39/53/496173953.db2.gz FISPQQMGXWOHLC-NUEKZKHPSA-N -1 3 360.454 3.076 20 0 FGADHM O=C(c1ccccc1[O-])N1CCN(Cc2coc(-c3ccccc3)n2)CC1 ZINC000177746973 496181080 /nfs/dbraw/zinc/18/10/80/496181080.db2.gz UCLFTTCOGYNCGJ-UHFFFAOYSA-N -1 3 363.417 3.005 20 0 FGADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N3[C@H](C)CC[C@@H]3C)cs2)c1 ZINC000184015264 496202059 /nfs/dbraw/zinc/20/20/59/496202059.db2.gz YBCGMCYWEMPGQA-BETUJISGSA-N -1 3 373.478 3.351 20 0 FGADHM CCOC(=O)c1cc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)n[n-]1 ZINC000180939941 496208225 /nfs/dbraw/zinc/20/82/25/496208225.db2.gz YCKQBIVVORQJLB-GHMZBOCLSA-N -1 3 367.327 3.347 20 0 FGADHM CCOC(=O)c1cc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)[n-]n1 ZINC000180939941 496208229 /nfs/dbraw/zinc/20/82/29/496208229.db2.gz YCKQBIVVORQJLB-GHMZBOCLSA-N -1 3 367.327 3.347 20 0 FGADHM O=C(Cn1cc(-c2ccccc2)nn1)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000161664776 496217823 /nfs/dbraw/zinc/21/78/23/496217823.db2.gz IXZOFPKMCHNHJA-UHFFFAOYSA-N -1 3 362.311 3.308 20 0 FGADHM O=C(Nc1ncccc1[O-])c1cnn(-c2ccccc2F)c1C(F)(F)F ZINC000180996553 496234489 /nfs/dbraw/zinc/23/44/89/496234489.db2.gz GDWXNFUGNMGVDO-UHFFFAOYSA-N -1 3 366.274 3.383 20 0 FGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)c1csc(CC(C)C)n1 ZINC000181024326 496245399 /nfs/dbraw/zinc/24/53/99/496245399.db2.gz QQZPDTDFNCKXCB-UHFFFAOYSA-N -1 3 351.428 3.321 20 0 FGADHM O=C(Cc1csc(NC(=O)c2cccc([O-])c2)n1)NCc1ccsc1 ZINC000172323924 496253692 /nfs/dbraw/zinc/25/36/92/496253692.db2.gz GQIJNLKYLCCSBH-UHFFFAOYSA-N -1 3 373.459 3.021 20 0 FGADHM Cc1nc(C)c(CCC(=O)N[C@H]2c3ccccc3CCC2(C)C)c(=O)[n-]1 ZINC000156470505 496255028 /nfs/dbraw/zinc/25/50/28/496255028.db2.gz COFRZSABZKCBMS-IBGZPJMESA-N -1 3 353.466 3.149 20 0 FGADHM CCCC[C@H]([N-]S(=O)(=O)c1ccc(CCNC(C)=O)s1)C1CCC1 ZINC000152778814 496255197 /nfs/dbraw/zinc/25/51/97/496255197.db2.gz LCSGZILBLLWVRK-INIZCTEOSA-N -1 3 372.556 3.064 20 0 FGADHM O=C(CCOc1ccc(F)cc1)NCc1ccc([O-])c(Br)c1 ZINC000156517761 496266481 /nfs/dbraw/zinc/26/64/81/496266481.db2.gz BPTBDTGROULUGI-UHFFFAOYSA-N -1 3 368.202 3.379 20 0 FGADHM CCCn1nc(C)c(C(=O)NCc2ccc([O-])c(Br)c2)c1C ZINC000156534136 496271744 /nfs/dbraw/zinc/27/17/44/496271744.db2.gz UTHPTTNRGIYNFT-UHFFFAOYSA-N -1 3 366.259 3.308 20 0 FGADHM CN1Cc2cc([N-]S(=O)(=O)c3ccc4c(c3)CCCC4)ccc2NC1=O ZINC000187065929 496277073 /nfs/dbraw/zinc/27/70/73/496277073.db2.gz LZILRJOWNRHMPF-UHFFFAOYSA-N -1 3 371.462 3.344 20 0 FGADHM C[C@H](COc1ccccc1)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000156563689 496280073 /nfs/dbraw/zinc/28/00/73/496280073.db2.gz MMFKUFFLKPUCCT-GFCCVEGCSA-N -1 3 364.239 3.486 20 0 FGADHM Cc1ccc(CS(=O)(=O)[N-]c2ccc(N3CCCCC3)cn2)cc1F ZINC000184197967 496282669 /nfs/dbraw/zinc/28/26/69/496282669.db2.gz QVJALEBZKNCTMC-UHFFFAOYSA-N -1 3 363.458 3.461 20 0 FGADHM COC[C@@]1(C(=O)[O-])CCCN([C@@H](C)c2cccc(Br)c2)C1 ZINC000574697093 505834419 /nfs/dbraw/zinc/83/44/19/505834419.db2.gz JPRSQZDENLNZPL-BLLLJJGKSA-N -1 3 356.260 3.323 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N[C@H](C)[C@H]3COc4ccccc43)c[n-]c12 ZINC000152888631 496287344 /nfs/dbraw/zinc/28/73/44/496287344.db2.gz MWJSULXDBOSVDP-SJKOYZFVSA-N -1 3 366.392 3.270 20 0 FGADHM COC(=O)c1ccc(F)c([N-]S(=O)(=O)Cc2ccc(C)c(F)c2)c1 ZINC000184212706 496288333 /nfs/dbraw/zinc/28/83/33/496288333.db2.gz IPKBZESEWJIEFP-UHFFFAOYSA-N -1 3 355.362 3.002 20 0 FGADHM CS[C@H](C)CNC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000184278316 496316286 /nfs/dbraw/zinc/31/62/86/496316286.db2.gz FMXQRAKHROJANA-RDTXWAMCSA-N -1 3 372.490 3.121 20 0 FGADHM C[C@@H](CNC(=O)NCc1ccc([O-])c(Br)c1)c1nccs1 ZINC000184278016 496316625 /nfs/dbraw/zinc/31/66/25/496316625.db2.gz WMVOBOSYAKVOCQ-VIFPVBQESA-N -1 3 370.272 3.214 20 0 FGADHM CCOCCC1(C[N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000156797877 496336184 /nfs/dbraw/zinc/33/61/84/496336184.db2.gz JSSODMZBNPTZFX-UHFFFAOYSA-N -1 3 352.283 3.479 20 0 FGADHM CC1(NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CCC1 ZINC000184343709 496342434 /nfs/dbraw/zinc/34/24/34/496342434.db2.gz VXUUFIQLZIYSJP-SFHVURJKSA-N -1 3 352.434 3.312 20 0 FGADHM O=S(=O)([N-][C@H]1C=CCCC1)c1cc(Br)cc2cccnc21 ZINC000580791414 505839575 /nfs/dbraw/zinc/83/95/75/505839575.db2.gz ONEUNUVITHHAIL-ZDUSSCGKSA-N -1 3 367.268 3.384 20 0 FGADHM C[C@H](NC(=O)CC(C)(C)C)C(=O)Nc1cc(Br)ccc1[O-] ZINC000187273499 496371075 /nfs/dbraw/zinc/37/10/75/496371075.db2.gz YGJCGPNTBKYXOR-VIFPVBQESA-N -1 3 357.248 3.034 20 0 FGADHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)Nc1ccc(C)cc1C ZINC000157057292 496396377 /nfs/dbraw/zinc/39/63/77/496396377.db2.gz FZIDGKHFPIJVTK-UHFFFAOYSA-N -1 3 360.435 3.427 20 0 FGADHM COc1cc(NC(=O)c2cn[n-]c2-c2ccsc2)cc(OC)c1OC ZINC000187331051 496396737 /nfs/dbraw/zinc/39/67/37/496396737.db2.gz RNLVRSYWEWTGHL-UHFFFAOYSA-N -1 3 359.407 3.416 20 0 FGADHM COc1cc(NC(=O)c2c[n-]nc2-c2ccsc2)cc(OC)c1OC ZINC000187331051 496396740 /nfs/dbraw/zinc/39/67/40/496396740.db2.gz RNLVRSYWEWTGHL-UHFFFAOYSA-N -1 3 359.407 3.416 20 0 FGADHM O=S(=O)([N-][C@H]1CCO[C@H](C2CC2)C1)c1ccc(Cl)c(Cl)c1 ZINC000162736750 496404531 /nfs/dbraw/zinc/40/45/31/496404531.db2.gz VZPWAULAPRVYCA-HZMBPMFUSA-N -1 3 350.267 3.229 20 0 FGADHM Cc1ccc(-c2noc(CCC(=O)[N-]OCCC(F)(F)F)n2)cc1F ZINC000162752947 496406821 /nfs/dbraw/zinc/40/68/21/496406821.db2.gz HMLQRZBBWVMGKV-UHFFFAOYSA-N -1 3 361.295 3.117 20 0 FGADHM COC(=O)c1sccc1S(=O)(=O)[N-]C(C)(C)c1ccc(Cl)cc1 ZINC000157127922 496411977 /nfs/dbraw/zinc/41/19/77/496411977.db2.gz XDEGIRQIGBJBPU-UHFFFAOYSA-N -1 3 373.883 3.402 20 0 FGADHM C[C@@H](Cc1ccccc1)C(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000178345609 496421570 /nfs/dbraw/zinc/42/15/70/496421570.db2.gz JYPGWGCKRWZSCJ-INIZCTEOSA-N -1 3 366.461 3.448 20 0 FGADHM CC(C)CCO[C@@H](C)C(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000178351605 496423845 /nfs/dbraw/zinc/42/38/45/496423845.db2.gz IPCLKPCGVLQLEY-HNNXBMFYSA-N -1 3 362.470 3.021 20 0 FGADHM COC(=O)c1sccc1S(=O)(=O)[N-]CC(C)(C)c1ccc(C)cc1 ZINC000157195331 496425296 /nfs/dbraw/zinc/42/52/96/496425296.db2.gz UGYKHGTWHXOVEU-UHFFFAOYSA-N -1 3 367.492 3.099 20 0 FGADHM Cc1cccnc1[C@H]([N-]S(=O)(=O)Cc1c(F)cccc1F)C(C)C ZINC000162889021 496429465 /nfs/dbraw/zinc/42/94/65/496429465.db2.gz ZKYGTZLEHDVKQT-MRXNPFEDSA-N -1 3 354.422 3.485 20 0 FGADHM CO[C@@H](C)c1nc(C)c(C(=O)[N-]c2nc3ccc(Cl)cn3n2)s1 ZINC000157258218 496440836 /nfs/dbraw/zinc/44/08/36/496440836.db2.gz WJMOBWFJKVNTOZ-QMMMGPOBSA-N -1 3 351.819 3.107 20 0 FGADHM CCN1CCC(N(C)C(=O)c2nn(-c3ccc(C(C)C)cc3)cc2[O-])CC1 ZINC000162971945 496442626 /nfs/dbraw/zinc/44/26/26/496442626.db2.gz LWIMHPYSFXEYEP-UHFFFAOYSA-N -1 3 370.497 3.258 20 0 FGADHM CC[C@@H](NC(=O)NCc1ccc([O-])c(F)c1)c1ccc2c(c1)OCCO2 ZINC000157279598 496445374 /nfs/dbraw/zinc/44/53/74/496445374.db2.gz NWIUDGNCAOBZAC-OAHLLOKOSA-N -1 3 360.385 3.253 20 0 FGADHM CCc1c(C(=O)[N-]c2n[nH]c(C3CCC3)n2)nnn1-c1cccc(Cl)c1 ZINC000184590014 496454285 /nfs/dbraw/zinc/45/42/85/496454285.db2.gz QKEZSLGYHBLOKU-UHFFFAOYSA-N -1 3 371.832 3.121 20 0 FGADHM C[C@@H](NCc1nc2c3ccccc3oc2c(=O)[n-]1)[C@@H]1COc2ccccc21 ZINC000163061735 496458781 /nfs/dbraw/zinc/45/87/81/496458781.db2.gz CEGAWFZGORJGFZ-DOMZBBRYSA-N -1 3 361.401 3.324 20 0 FGADHM O=S(=O)([N-][C@@H]1CCOC2(CCCC2)C1)c1ccc(Cl)nc1Cl ZINC000178453622 496462509 /nfs/dbraw/zinc/46/25/09/496462509.db2.gz CNWRHMXCRYJBPS-SNVBAGLBSA-N -1 3 365.282 3.159 20 0 FGADHM Cc1ccc(CN2C(=O)CC[C@H]2C(=O)Nc2cc(Cl)ccc2[O-])cc1 ZINC000175613687 496465405 /nfs/dbraw/zinc/46/54/05/496465405.db2.gz LKQDAVCGDNVGAB-INIZCTEOSA-N -1 3 358.825 3.484 20 0 FGADHM CO[C@@H](CNC(=O)c1c[n-]c2c(C)cc(F)cc2c1=O)c1ccccc1 ZINC000178468639 496467113 /nfs/dbraw/zinc/46/71/13/496467113.db2.gz RBVNDUQSKQQFRY-KRWDZBQOSA-N -1 3 354.381 3.093 20 0 FGADHM O=c1nc(CN2CC[C@]3(CCOC3)C2)[n-]c2scc(-c3ccccc3)c21 ZINC000153480150 496470876 /nfs/dbraw/zinc/47/08/76/496470876.db2.gz FQEWZAGTBKJYJZ-FQEVSTJZSA-N -1 3 367.474 3.264 20 0 FGADHM CC(C)CNC(=O)N1CCC[C@@H](C(=O)Nc2ccc(Cl)cc2[O-])C1 ZINC000153516001 496481518 /nfs/dbraw/zinc/48/15/18/496481518.db2.gz JLPBWHSVNLLIKM-GFCCVEGCSA-N -1 3 353.850 3.062 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C(=O)OC)c1nccs1 ZINC000178549926 496496065 /nfs/dbraw/zinc/49/60/65/496496065.db2.gz VRKVRHJNFDBGOG-NSHDSACASA-N -1 3 374.871 3.013 20 0 FGADHM CCN1CCc2nc([N-]C(=O)c3cc(COC(C)(C)C)on3)sc2C1 ZINC000184692549 496496188 /nfs/dbraw/zinc/49/61/88/496496188.db2.gz OVYMAIWPYDUWKP-UHFFFAOYSA-N -1 3 364.471 3.077 20 0 FGADHM O=S(=O)([N-]c1ccc2c(c1)CCCO2)c1ccc(OCC(F)F)cc1 ZINC000181686705 496502658 /nfs/dbraw/zinc/50/26/58/496502658.db2.gz YZVVTKPOMZRDDG-UHFFFAOYSA-N -1 3 369.389 3.456 20 0 FGADHM CC[C@@](C)([N-]S(=O)(=O)c1ccc(OC)c(F)c1C)c1nccs1 ZINC000181696493 496506378 /nfs/dbraw/zinc/50/63/78/496506378.db2.gz CCBUDBDJSHIAJF-OAHLLOKOSA-N -1 3 358.460 3.203 20 0 FGADHM Fc1ccc(Cc2nnc([N-]Cc3nccn3CC(F)(F)F)o2)cc1 ZINC000181694681 496506796 /nfs/dbraw/zinc/50/67/96/496506796.db2.gz MVZNZOWSIXPPKY-UHFFFAOYSA-N -1 3 355.295 3.170 20 0 FGADHM COc1ccc2c(c1)[n-]cc(C(=O)N1CCO[C@H](c3ccsc3)C1)c2=O ZINC000163392215 496508734 /nfs/dbraw/zinc/50/87/34/496508734.db2.gz JNUGXKPRPNMUEC-KRWDZBQOSA-N -1 3 370.430 3.224 20 0 FGADHM Cc1ccccc1CS(=O)(=O)[N-][C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000175708316 496509310 /nfs/dbraw/zinc/50/93/10/496509310.db2.gz XZJLVAYPUSMWIJ-HNNXBMFYSA-N -1 3 371.462 3.149 20 0 FGADHM Cc1ccccc1CS(=O)(=O)[N-][C@H](C)c1nc(Cc2ccccc2)no1 ZINC000175708333 496509651 /nfs/dbraw/zinc/50/96/51/496509651.db2.gz XZJLVAYPUSMWIJ-OAHLLOKOSA-N -1 3 371.462 3.149 20 0 FGADHM COc1cc(C(=O)NCCc2c[nH]c3ccc(F)cc23)cc(OC)c1[O-] ZINC000163460935 496518184 /nfs/dbraw/zinc/51/81/84/496518184.db2.gz PTWGVYWQAOMYIT-UHFFFAOYSA-N -1 3 358.369 3.002 20 0 FGADHM O=C(Cc1ccc([O-])cc1Cl)N(CCc1ccccc1)[C@@H]1CCOC1 ZINC000163453018 496518249 /nfs/dbraw/zinc/51/82/49/496518249.db2.gz HFAQAUXMGHRDPB-QGZVFWFLSA-N -1 3 359.853 3.448 20 0 FGADHM Cc1cccc(C(=O)N2CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c1[O-] ZINC000163478856 496520155 /nfs/dbraw/zinc/52/01/55/496520155.db2.gz PDVPVBIACKQVQR-LSDHHAIUSA-N -1 3 362.470 3.466 20 0 FGADHM O=C(Nc1ccc2oc(=O)[nH]c2c1)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000187653532 496521802 /nfs/dbraw/zinc/52/18/02/496521802.db2.gz NBEURACSAJVWGB-UHFFFAOYSA-N -1 3 374.352 3.310 20 0 FGADHM CCOC(=O)c1cc(NC(=O)[C@@H](Oc2ccccc2)c2ccccc2)n[n-]1 ZINC000181747712 496527147 /nfs/dbraw/zinc/52/71/47/496527147.db2.gz SQSOBJFDDDUXKQ-SFHVURJKSA-N -1 3 365.389 3.345 20 0 FGADHM CCOC(=O)c1cc(NC(=O)[C@@H](Oc2ccccc2)c2ccccc2)[n-]n1 ZINC000181747712 496527149 /nfs/dbraw/zinc/52/71/49/496527149.db2.gz SQSOBJFDDDUXKQ-SFHVURJKSA-N -1 3 365.389 3.345 20 0 FGADHM O=c1cc(CS(=O)(=O)Cc2cccc(Cl)c2Cl)nc(C2CC2)[n-]1 ZINC000569088754 505850396 /nfs/dbraw/zinc/85/03/96/505850396.db2.gz JMLHHDWOGOKFEA-UHFFFAOYSA-N -1 3 373.261 3.481 20 0 FGADHM CCOCCOc1ccc(Cl)cc1NC(=O)c1cccc2nn[n-]c21 ZINC000187740911 496552179 /nfs/dbraw/zinc/55/21/79/496552179.db2.gz NMUKQYUZYUKKKI-UHFFFAOYSA-N -1 3 360.801 3.279 20 0 FGADHM CCOCCOc1ccc(Cl)cc1NC(=O)c1cccc2[n-]nnc21 ZINC000187740911 496552183 /nfs/dbraw/zinc/55/21/83/496552183.db2.gz NMUKQYUZYUKKKI-UHFFFAOYSA-N -1 3 360.801 3.279 20 0 FGADHM CCOCCOc1ccc(Cl)cc1NC(=O)c1cccc2n[n-]nc21 ZINC000187740911 496552188 /nfs/dbraw/zinc/55/21/88/496552188.db2.gz NMUKQYUZYUKKKI-UHFFFAOYSA-N -1 3 360.801 3.279 20 0 FGADHM COc1cc(C(=O)N[C@@H](C)c2ccc(-n3cccn3)cc2)cc(OC)c1[O-] ZINC000163801023 496559073 /nfs/dbraw/zinc/55/90/73/496559073.db2.gz JHWIXLJSIDKJQH-ZDUSSCGKSA-N -1 3 367.405 3.086 20 0 FGADHM C[C@@H]1CCN(C(=O)Cc2csc(NC(=O)c3cccc([O-])c3)n2)C[C@H]1C ZINC000153772282 496574975 /nfs/dbraw/zinc/57/49/75/496574975.db2.gz YKPYZAIDVAKMGW-CHWSQXEVSA-N -1 3 373.478 3.148 20 0 FGADHM Cc1c(C(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)cnn1CC(C)C ZINC000163967253 496575271 /nfs/dbraw/zinc/57/52/71/496575271.db2.gz ATPXZWMLRXECGQ-UHFFFAOYSA-N -1 3 365.437 3.159 20 0 FGADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]C[C@@H](C)c1cccc(C)c1 ZINC000178801582 496577152 /nfs/dbraw/zinc/57/71/52/496577152.db2.gz PJTJCABGMNXNQU-CYBMUJFWSA-N -1 3 365.426 3.003 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H](Nc3ccccc3)C2)c1 ZINC000163999279 496577450 /nfs/dbraw/zinc/57/74/50/496577450.db2.gz XZQZBKANCTZBTO-KRWDZBQOSA-N -1 3 353.422 3.067 20 0 FGADHM Cc1ccccc1CS(=O)(=O)[N-][C@@H](C)c1noc(Cc2ccccc2)n1 ZINC000175880126 496584940 /nfs/dbraw/zinc/58/49/40/496584940.db2.gz DJQDPEHNYLECKE-HNNXBMFYSA-N -1 3 371.462 3.149 20 0 FGADHM COC(C)(C)C[C@H](C)[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000184933938 496590976 /nfs/dbraw/zinc/59/09/76/496590976.db2.gz HPWPCBYGTJZLNY-VIFPVBQESA-N -1 3 368.268 3.070 20 0 FGADHM C[C@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)c1cccc2[n-]nnc21 ZINC000187876489 496605604 /nfs/dbraw/zinc/60/56/04/496605604.db2.gz LGZNAYBRXMIWDB-ZBEGNZNMSA-N -1 3 356.813 3.214 20 0 FGADHM C[C@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)c1cccc2nn[n-]c21 ZINC000187876489 496605612 /nfs/dbraw/zinc/60/56/12/496605612.db2.gz LGZNAYBRXMIWDB-ZBEGNZNMSA-N -1 3 356.813 3.214 20 0 FGADHM C[C@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)c1cccc2n[n-]nc21 ZINC000187876489 496605617 /nfs/dbraw/zinc/60/56/17/496605617.db2.gz LGZNAYBRXMIWDB-ZBEGNZNMSA-N -1 3 356.813 3.214 20 0 FGADHM O=C(N[C@@H]1CCC[C@@H]1CCO)c1cc(OCc2ccccc2)ccc1[O-] ZINC000187893915 496610872 /nfs/dbraw/zinc/61/08/72/496610872.db2.gz APKVHPUMMCAFSK-VQIMIIECSA-N -1 3 355.434 3.252 20 0 FGADHM C[C@@H](C(=O)Nc1cccc(NC(=O)c2cccc([O-])c2)c1)n1cccn1 ZINC000181956566 496613273 /nfs/dbraw/zinc/61/32/73/496613273.db2.gz FNXUQUGGYCPWNQ-ZDUSSCGKSA-N -1 3 350.378 3.041 20 0 FGADHM Cc1cc(C)n(CC(=O)[N-]c2cc(-c3ccc(OC(F)F)cc3)no2)n1 ZINC000175972708 496624607 /nfs/dbraw/zinc/62/46/07/496624607.db2.gz AULBAIPPVVTZAC-UHFFFAOYSA-N -1 3 362.336 3.395 20 0 FGADHM CCCCNC(=O)C1CCN(C(=O)c2ccc3c(c2[O-])CCCC3)CC1 ZINC000185048879 496637056 /nfs/dbraw/zinc/63/70/56/496637056.db2.gz YDCXQFGTTQTHSQ-UHFFFAOYSA-N -1 3 358.482 3.040 20 0 FGADHM O=C(NCCCOC1CCOCC1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000176006638 496640839 /nfs/dbraw/zinc/64/08/39/496640839.db2.gz UARVVJIBHDBRKX-UHFFFAOYSA-N -1 3 369.461 3.299 20 0 FGADHM Cc1ccc(CS(=O)(=O)[N-]c2cccc3c2OCC[C@@H]3N(C)C)cc1 ZINC000574789944 505856543 /nfs/dbraw/zinc/85/65/43/505856543.db2.gz UDBICGPTCGFHTM-SFHVURJKSA-N -1 3 360.479 3.322 20 0 FGADHM O=C(Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)[C@@H]1COCCO1 ZINC000179012077 496645117 /nfs/dbraw/zinc/64/51/17/496645117.db2.gz XTXZTLDTOUBAIF-HNNXBMFYSA-N -1 3 356.403 3.023 20 0 FGADHM O=S(=O)([N-]Cc1coc(-c2ccccc2)n1)c1cc(F)cc(F)c1 ZINC000173346434 496653198 /nfs/dbraw/zinc/65/31/98/496653198.db2.gz YLZPFASNCIZQOA-UHFFFAOYSA-N -1 3 350.346 3.098 20 0 FGADHM CCCc1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C(N)=O)cc2)cc1 ZINC000158227330 496654876 /nfs/dbraw/zinc/65/48/76/496654876.db2.gz NEAFQEIBQYVBAZ-UHFFFAOYSA-N -1 3 360.479 3.203 20 0 FGADHM COC(=O)[C@H](C)Cc1ccc(NC(=O)c2c[n-]c3ccccc3c2=O)cc1 ZINC000185099096 496659448 /nfs/dbraw/zinc/65/94/48/496659448.db2.gz VGEVROIIHRJPFI-CYBMUJFWSA-N -1 3 364.401 3.132 20 0 FGADHM COC(=O)[C@H](C)Cc1ccc(NC(=O)c2cnc3ccccc3c2[O-])cc1 ZINC000185099096 496659452 /nfs/dbraw/zinc/65/94/52/496659452.db2.gz VGEVROIIHRJPFI-CYBMUJFWSA-N -1 3 364.401 3.132 20 0 FGADHM CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)c1ccc(O)cc1[O-] ZINC000182125516 496678533 /nfs/dbraw/zinc/67/85/33/496678533.db2.gz BYHPGUVDYIRDKU-UHFFFAOYSA-N -1 3 351.406 3.193 20 0 FGADHM O=C(Nc1cccc([O-])c1F)c1cc2c(c(Br)c1)OCO2 ZINC000179153251 496694723 /nfs/dbraw/zinc/69/47/23/496694723.db2.gz IEGQUTGVEVJPMK-UHFFFAOYSA-N -1 3 354.131 3.275 20 0 FGADHM COC(=O)c1cc(S(=O)(=O)[N-][C@@H](C)c2cc(C)sc2C)c(C)o1 ZINC000166932522 496694860 /nfs/dbraw/zinc/69/48/60/496694860.db2.gz ONYWNABZFNRXAF-VIFPVBQESA-N -1 3 357.453 3.092 20 0 FGADHM Cc1cc(F)c(S(=O)(=O)[N-][C@@H](C)[C@H]2COc3ccccc32)cc1F ZINC000167545901 496703175 /nfs/dbraw/zinc/70/31/75/496703175.db2.gz GMBGTRSJIQXTJL-WCQYABFASA-N -1 3 353.390 3.116 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)[C@H]3C[C@@H]3c3cccc(F)c3F)[n-]c21 ZINC000158460760 496706486 /nfs/dbraw/zinc/70/64/86/496706486.db2.gz YHMHEDPTZMTRHI-NEPJUHHUSA-N -1 3 371.343 3.370 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@H]3C[C@@H]3c3cccc(F)c3F)nc21 ZINC000158460760 496706490 /nfs/dbraw/zinc/70/64/90/496706490.db2.gz YHMHEDPTZMTRHI-NEPJUHHUSA-N -1 3 371.343 3.370 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)[C@@H]3C[C@@H]3c3cccc(F)c3F)[n-]c21 ZINC000158460622 496706623 /nfs/dbraw/zinc/70/66/23/496706623.db2.gz YHMHEDPTZMTRHI-VXGBXAGGSA-N -1 3 371.343 3.370 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@@H]3C[C@@H]3c3cccc(F)c3F)nc21 ZINC000158460622 496706628 /nfs/dbraw/zinc/70/66/28/496706628.db2.gz YHMHEDPTZMTRHI-VXGBXAGGSA-N -1 3 371.343 3.370 20 0 FGADHM CCc1nnc(C[N-]S(=O)(=O)c2ccc3c(c2)Cc2ccccc2-3)s1 ZINC000578101409 505861103 /nfs/dbraw/zinc/86/11/03/505861103.db2.gz FCKIWNMQMPKPSC-UHFFFAOYSA-N -1 3 371.487 3.150 20 0 FGADHM COc1cc(Br)cc(NC(=O)c2cccc(OC)c2[O-])c1 ZINC000169208935 496714755 /nfs/dbraw/zinc/71/47/55/496714755.db2.gz ZUZMJLLQEQDRBI-UHFFFAOYSA-N -1 3 352.184 3.424 20 0 FGADHM CCc1ccc(C(=O)N2CC[C@@H](CN(CC)CC(F)(F)F)C2)c([O-])c1 ZINC000188237177 496721741 /nfs/dbraw/zinc/72/17/41/496721741.db2.gz SXLDOCRGLHLYDP-AWEZNQCLSA-N -1 3 358.404 3.301 20 0 FGADHM Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2cccc([O-])c2)cc1C ZINC000182309599 496729100 /nfs/dbraw/zinc/72/91/00/496729100.db2.gz QDCFYJHWRDOTGE-KRWDZBQOSA-N -1 3 356.447 3.163 20 0 FGADHM Cc1ccccc1C[C@@H](CO)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000188274452 496737688 /nfs/dbraw/zinc/73/76/88/496737688.db2.gz JQHFFUAHHVCWKI-ZDUSSCGKSA-N -1 3 374.289 3.184 20 0 FGADHM COCc1cccc(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCCO3)c1 ZINC000263853809 496744966 /nfs/dbraw/zinc/74/49/66/496744966.db2.gz PDKMKSMKJJLKPO-UHFFFAOYSA-N -1 3 369.826 3.058 20 0 FGADHM Cc1ccc(NC(=O)NC[C@H]2CCCN(C(=O)c3ccccc3[O-])C2)cc1 ZINC000263884836 496753910 /nfs/dbraw/zinc/75/39/10/496753910.db2.gz CXCJVAWXVYEQCF-MRXNPFEDSA-N -1 3 367.449 3.375 20 0 FGADHM CCc1ccc(C(=O)N2CCOC[C@H]2CC(=O)c2ccccc2)c([O-])c1 ZINC000188332396 496755483 /nfs/dbraw/zinc/75/54/83/496755483.db2.gz VNYQUUTXYAFECM-QGZVFWFLSA-N -1 3 353.418 3.069 20 0 FGADHM COc1ccc(C(=O)N2CCC(C(=O)c3ccc(F)cc3)CC2)c([O-])c1 ZINC000194910812 496756781 /nfs/dbraw/zinc/75/67/81/496756781.db2.gz YLJFGZYMIPNZGY-UHFFFAOYSA-N -1 3 357.381 3.275 20 0 FGADHM COc1cccc(C[C@H](NCc2cc(Cl)cc3c2OCC3)C(=O)[O-])c1 ZINC000277389834 496757330 /nfs/dbraw/zinc/75/73/30/496757330.db2.gz RFUQKRMYYKRVAL-KRWDZBQOSA-N -1 3 361.825 3.069 20 0 FGADHM COC(=O)CCOc1ccc(NC(=O)c2cc(-c3ccc(C)o3)[n-]n2)cc1 ZINC000194911449 496757444 /nfs/dbraw/zinc/75/74/44/496757444.db2.gz YTQNWKHFSJYIPX-UHFFFAOYSA-N -1 3 369.377 3.172 20 0 FGADHM COC(=O)CCOc1ccc(NC(=O)c2cc(-c3ccc(C)o3)n[n-]2)cc1 ZINC000194911449 496757448 /nfs/dbraw/zinc/75/74/48/496757448.db2.gz YTQNWKHFSJYIPX-UHFFFAOYSA-N -1 3 369.377 3.172 20 0 FGADHM COc1ccc(CN[C@H](Cc2ccc(F)cc2)C(=O)[O-])c(Cl)c1OC ZINC000277397927 496759746 /nfs/dbraw/zinc/75/97/46/496759746.db2.gz RTMSPFMAWVOIOE-CQSZACIVSA-N -1 3 367.804 3.282 20 0 FGADHM C[C@H](CC(=O)N1CCc2c(=O)[n-]cnc2C1)c1ccccc1C(F)(F)F ZINC000273279069 496761657 /nfs/dbraw/zinc/76/16/57/496761657.db2.gz SLXCFIKYOAGNDO-LLVKDONJSA-N -1 3 365.355 3.280 20 0 FGADHM COc1cccc(CSC[C@@H](NCc2ccccc2OC)C(=O)[O-])c1 ZINC000277409315 496763498 /nfs/dbraw/zinc/76/34/98/496763498.db2.gz SHIMNPYNBSFSFO-QGZVFWFLSA-N -1 3 361.463 3.180 20 0 FGADHM CCOC(=O)c1ccc(NC(=O)CCc2nc(C3CCCC3)no2)c([O-])c1 ZINC000268746458 496772724 /nfs/dbraw/zinc/77/27/24/496772724.db2.gz RRNQLXICAXEQIK-UHFFFAOYSA-N -1 3 373.409 3.181 20 0 FGADHM CCc1ccc(-c2noc([C@H](C)NCc3nc(CC)cc(=O)[n-]3)n2)cc1 ZINC000273324633 496774863 /nfs/dbraw/zinc/77/48/63/496774863.db2.gz QJMUYQDLHKMQPQ-LBPRGKRZSA-N -1 3 353.426 3.208 20 0 FGADHM CN(C(=O)c1cc(=O)c2ccccc2[n-]1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000268762026 496777254 /nfs/dbraw/zinc/77/72/54/496777254.db2.gz VSNYEKGRWYSUOO-KRWDZBQOSA-N -1 3 361.445 3.287 20 0 FGADHM CCCCOc1ccc(C(=O)N2CCC(c3nnc(CC)[nH]3)CC2)c([O-])c1 ZINC000191490178 496780570 /nfs/dbraw/zinc/78/05/70/496780570.db2.gz IRBFTMRQUJXCMI-UHFFFAOYSA-N -1 3 372.469 3.271 20 0 FGADHM COC(=O)c1cnc(SCc2nnc(-c3ccc(Cl)cc3)o2)[n-]1 ZINC000191502453 496787762 /nfs/dbraw/zinc/78/77/62/496787762.db2.gz YSORWGBBFPSWGH-UHFFFAOYSA-N -1 3 350.787 3.192 20 0 FGADHM Cc1cc(NC([O-])=NOC[C@H](C)NC(=O)OC(C)(C)C)cnc1Cl ZINC000273409417 496798399 /nfs/dbraw/zinc/79/83/99/496798399.db2.gz HRKAVCOJYDRONT-JTQLQIEISA-N -1 3 358.826 3.010 20 0 FGADHM Cc1cc(NC(=O)[N-]OC[C@H](C)NC(=O)OC(C)(C)C)cnc1Cl ZINC000273409417 496798404 /nfs/dbraw/zinc/79/84/04/496798404.db2.gz HRKAVCOJYDRONT-JTQLQIEISA-N -1 3 358.826 3.010 20 0 FGADHM CCn1nc(CNC[C@H](Cc2ccc(C)cc2)C(=O)[O-])c2ccccc21 ZINC000277528245 496802524 /nfs/dbraw/zinc/80/25/24/496802524.db2.gz ZDEQZLAWLMYTRY-KRWDZBQOSA-N -1 3 351.450 3.398 20 0 FGADHM Cc1nc2sc3c(c2c(N2CCc4c(nc[n-]c4=O)C2)n1)CCCCC3 ZINC000569166730 505867252 /nfs/dbraw/zinc/86/72/52/505867252.db2.gz HPAXORPERFJGON-UHFFFAOYSA-N -1 3 367.478 3.327 20 0 FGADHM CCCn1c(=O)[n-]c(=O)c2c(C(=O)N(C(C)C)C3CC3)cc(C(C)C)nc21 ZINC000264087099 496808799 /nfs/dbraw/zinc/80/87/99/496808799.db2.gz RJRXSIAYQCTCQU-UHFFFAOYSA-N -1 3 372.469 3.044 20 0 FGADHM COC(=O)c1cc(NC([O-])=NOCc2ccc(C(F)(F)F)cc2)cn1C ZINC000273447877 496809280 /nfs/dbraw/zinc/80/92/80/496809280.db2.gz NZOQHUWDEPEQJZ-UHFFFAOYSA-N -1 3 371.315 3.084 20 0 FGADHM COC(=O)c1cc(NC(=O)[N-]OCc2ccc(C(F)(F)F)cc2)cn1C ZINC000273447877 496809284 /nfs/dbraw/zinc/80/92/84/496809284.db2.gz NZOQHUWDEPEQJZ-UHFFFAOYSA-N -1 3 371.315 3.084 20 0 FGADHM Cc1cccc(-c2nc([C@H]3CN(Cc4ccccc4)CCO3)no2)c1[O-] ZINC000273499114 496823766 /nfs/dbraw/zinc/82/37/66/496823766.db2.gz YBDIIPVWWVONHK-QGZVFWFLSA-N -1 3 351.406 3.324 20 0 FGADHM CC[C@@H]1CC[C@H](C)N1C(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000273523323 496828960 /nfs/dbraw/zinc/82/89/60/496828960.db2.gz XBQBGOZAWSCKTK-SMDDNHRTSA-N -1 3 357.410 3.344 20 0 FGADHM CC[C@@H](NC(=O)c1cc(F)cc2nn[n-]c21)c1nc(C(F)(F)F)cs1 ZINC000277614276 496830449 /nfs/dbraw/zinc/83/04/49/496830449.db2.gz IASPUKKAXJNPJZ-MRVPVSSYSA-N -1 3 373.335 3.453 20 0 FGADHM CC[C@@H](NC(=O)c1cc(F)cc2[n-]nnc21)c1nc(C(F)(F)F)cs1 ZINC000277614276 496830455 /nfs/dbraw/zinc/83/04/55/496830455.db2.gz IASPUKKAXJNPJZ-MRVPVSSYSA-N -1 3 373.335 3.453 20 0 FGADHM CC[C@@H](NC(=O)c1cc(F)cc2n[n-]nc21)c1nc(C(F)(F)F)cs1 ZINC000277614276 496830460 /nfs/dbraw/zinc/83/04/60/496830460.db2.gz IASPUKKAXJNPJZ-MRVPVSSYSA-N -1 3 373.335 3.453 20 0 FGADHM CCC(CC)[C@H](O)CNC(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000188564325 496833216 /nfs/dbraw/zinc/83/32/16/496833216.db2.gz DYKPXMLTOMGXRS-LJQANCHMSA-N -1 3 355.434 3.150 20 0 FGADHM O=S(=O)([N-][C@@H]1CCOC2(CCC2)C1)c1cc(Cl)ccc1Cl ZINC000268960546 496835486 /nfs/dbraw/zinc/83/54/86/496835486.db2.gz IFOPQYMNHZJXRG-LLVKDONJSA-N -1 3 350.267 3.373 20 0 FGADHM O=S(=O)([N-]Cc1ccc(OCc2cccc(F)c2)cc1)c1ccco1 ZINC000188588437 496842668 /nfs/dbraw/zinc/84/26/68/496842668.db2.gz SGWXUUVLWOCJON-UHFFFAOYSA-N -1 3 361.394 3.476 20 0 FGADHM Cc1ncncc1C(=O)[N-]c1nnc([C@@H]2CCCc3ccccc32)s1 ZINC000277719428 496864141 /nfs/dbraw/zinc/86/41/41/496864141.db2.gz XBBTWEZTKUFGJR-CQSZACIVSA-N -1 3 351.435 3.357 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)NCc3nnc(C(C)(C)C)s3)c[n-]c12 ZINC000269092629 496869517 /nfs/dbraw/zinc/86/95/17/496869517.db2.gz HVDNLGGYJUQAQN-UHFFFAOYSA-N -1 3 374.441 3.467 20 0 FGADHM Cc1cc([C@H]([N-]S(=O)(=O)C2COC2)c2ccccc2Cl)ccc1F ZINC000574861082 505871518 /nfs/dbraw/zinc/87/15/18/505871518.db2.gz FFWAQCWNZVEDHM-KRWDZBQOSA-N -1 3 369.845 3.195 20 0 FGADHM CCN(C[C@H]1CCCO1)C(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000188737964 496892654 /nfs/dbraw/zinc/89/26/54/496892654.db2.gz GSXODQSRRYASMP-LJQANCHMSA-N -1 3 353.418 3.264 20 0 FGADHM C[C@]1(c2cccc(NC(=O)c3ccc(C4CCC4)cc3)c2)NC(=O)[N-]C1=O ZINC000188742604 496894506 /nfs/dbraw/zinc/89/45/06/496894506.db2.gz STTAOGPAILURRH-OAQYLSRUSA-N -1 3 363.417 3.261 20 0 FGADHM CCc1ccccc1CN1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000188784540 496908605 /nfs/dbraw/zinc/90/86/05/496908605.db2.gz DRQBTPCRWGSUOM-UHFFFAOYSA-N -1 3 364.536 3.253 20 0 FGADHM CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cccc2[n-]nnc21 ZINC000188869920 496932731 /nfs/dbraw/zinc/93/27/31/496932731.db2.gz XIGDVJRYOLMAOP-RCBQFDQVSA-N -1 3 370.453 3.073 20 0 FGADHM CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cccc2nn[n-]c21 ZINC000188869920 496932738 /nfs/dbraw/zinc/93/27/38/496932738.db2.gz XIGDVJRYOLMAOP-RCBQFDQVSA-N -1 3 370.453 3.073 20 0 FGADHM CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cccc2n[n-]nc21 ZINC000188869920 496932743 /nfs/dbraw/zinc/93/27/43/496932743.db2.gz XIGDVJRYOLMAOP-RCBQFDQVSA-N -1 3 370.453 3.073 20 0 FGADHM CCCCc1nc(C(=O)OCC)c(NC(=O)Cc2ccc(OC)cc2)[n-]1 ZINC000191964857 496946065 /nfs/dbraw/zinc/94/60/65/496946065.db2.gz GVUFNPCEXSFUKA-UHFFFAOYSA-N -1 3 359.426 3.119 20 0 FGADHM CCCCc1nc(NC(=O)Cc2ccc(OC)cc2)c(C(=O)OCC)[n-]1 ZINC000191964857 496946069 /nfs/dbraw/zinc/94/60/69/496946069.db2.gz GVUFNPCEXSFUKA-UHFFFAOYSA-N -1 3 359.426 3.119 20 0 FGADHM CC(=O)NC1(c2noc(-c3cc(-c4ccc(C)o4)[n-]n3)n2)CCCCC1 ZINC000264640050 496951766 /nfs/dbraw/zinc/95/17/66/496951766.db2.gz VITZTUDGYHZQLP-UHFFFAOYSA-N -1 3 355.398 3.324 20 0 FGADHM CC(=O)NC1(c2noc(-c3cc(-c4ccc(C)o4)n[n-]3)n2)CCCCC1 ZINC000264640050 496951770 /nfs/dbraw/zinc/95/17/70/496951770.db2.gz VITZTUDGYHZQLP-UHFFFAOYSA-N -1 3 355.398 3.324 20 0 FGADHM Cc1nc(-c2ccc(-n3c([O-])c(CC(F)(F)F)[nH]c3=O)cc2)cs1 ZINC000277961877 496951968 /nfs/dbraw/zinc/95/19/68/496951968.db2.gz GEDNRIXLVUESSL-NSHDSACASA-N -1 3 355.341 3.496 20 0 FGADHM C[C@@H]1CN(C(C)(C)CNC(=O)c2cc([O-])ccc2C(F)(F)F)C[C@@H](C)O1 ZINC000188947219 496955765 /nfs/dbraw/zinc/95/57/65/496955765.db2.gz MDQGRJJZJQGADX-VXGBXAGGSA-N -1 3 374.403 3.029 20 0 FGADHM O=C([O-])C[C@H]1CCCN(CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000569200051 505876012 /nfs/dbraw/zinc/87/60/12/505876012.db2.gz CAYQQFASZGPQIM-GFCCVEGCSA-N -1 3 366.255 3.412 20 0 FGADHM CSc1nnc(CCCNC(=O)c2ccc(C)cc2[O-])n1CC(C)C ZINC000248119387 496956619 /nfs/dbraw/zinc/95/66/19/496956619.db2.gz UQIBVNDUTXOHRF-UHFFFAOYSA-N -1 3 362.499 3.033 20 0 FGADHM C[C@H]1CC(NC(=O)c2ccc(C(=O)c3cccc([O-])c3)cc2)C[C@H](C)O1 ZINC000188978370 496966291 /nfs/dbraw/zinc/96/62/91/496966291.db2.gz TWRONHZTBGSLAC-KBPBESRZSA-N -1 3 353.418 3.309 20 0 FGADHM COC(=O)c1c(C2CC2)csc1[N-]C(=O)C(=O)N(CC(C)C)C(C)C ZINC000189000429 496973887 /nfs/dbraw/zinc/97/38/87/496973887.db2.gz XNHZDVBSPKWDGG-UHFFFAOYSA-N -1 3 366.483 3.244 20 0 FGADHM CC[C@@H](C(=O)OC(C)(C)C)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000192080690 496989389 /nfs/dbraw/zinc/98/93/89/496989389.db2.gz ZLCWZHGUFOCMES-INIZCTEOSA-N -1 3 362.470 3.163 20 0 FGADHM COCc1nc(NC(=O)c2cc([O-])c3ccccc3c2)sc1C(=O)OC ZINC000572055575 505878367 /nfs/dbraw/zinc/87/83/67/505878367.db2.gz XKYHNKHDCAWMMN-UHFFFAOYSA-N -1 3 372.402 3.187 20 0 FGADHM CC(C)c1cc(C(=O)N2CCC[C@@H](S(C)(=O)=O)C2)c([O-])c(C(C)C)c1 ZINC000274046627 497001635 /nfs/dbraw/zinc/00/16/35/497001635.db2.gz GJBCVRXEXGHYRT-OAHLLOKOSA-N -1 3 367.511 3.288 20 0 FGADHM O=c1cc(CN[C@H]2CCO[C@H]2c2ccc(F)c(F)c2)c2ccc([O-])cc2o1 ZINC000192132762 497005114 /nfs/dbraw/zinc/00/51/14/497005114.db2.gz RRTYDRRZABVNJG-PXNSSMCTSA-N -1 3 373.355 3.397 20 0 FGADHM [O-]c1cc2c(cc1-c1nc([C@H]3CN4CCCC[C@H]4CO3)no1)CCCC2 ZINC000278131561 497015358 /nfs/dbraw/zinc/01/53/58/497015358.db2.gz REEOIUXAQFRFFC-MAUKXSAKSA-N -1 3 355.438 3.247 20 0 FGADHM COc1ccc([C@@H]2CCCN2C(=O)c2cc(OC)c([O-])c(OC)c2)cc1 ZINC000269907132 497021798 /nfs/dbraw/zinc/02/17/98/497021798.db2.gz FWJQUPAUKHOFAY-INIZCTEOSA-N -1 3 357.406 3.395 20 0 FGADHM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1nc(-c2ccc(F)c(F)c2)no1 ZINC000248513225 497029464 /nfs/dbraw/zinc/02/94/64/497029464.db2.gz DABZJPQEGABZKL-VQISRLSMSA-N -1 3 363.364 3.233 20 0 FGADHM O=S(=O)([N-]C1CCSCC1)c1ccc(Cl)c(Br)c1 ZINC000192203069 497031422 /nfs/dbraw/zinc/03/14/22/497031422.db2.gz WOJORDPDPUKHAR-UHFFFAOYSA-N -1 3 370.721 3.276 20 0 FGADHM CC(C)c1cc(C(=O)[N-]c2nc3ccc(S(C)(=O)=O)cc3s2)on1 ZINC000265027349 497032907 /nfs/dbraw/zinc/03/29/07/497032907.db2.gz VCQZXGFOYIALTO-UHFFFAOYSA-N -1 3 365.436 3.064 20 0 FGADHM CCc1ccc(-c2nc(COc3cccc(C(=O)OC)c3)no2)c([O-])c1 ZINC000189186221 497037038 /nfs/dbraw/zinc/03/70/38/497037038.db2.gz VYRIHVBOHYFRHI-UHFFFAOYSA-N -1 3 354.362 3.370 20 0 FGADHM Cc1ccc(C(=O)N2C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)[C@H]3C2)c([O-])c1 ZINC000248568082 497042868 /nfs/dbraw/zinc/04/28/68/497042868.db2.gz FISPQQMGXWOHLC-BPUTZDHNSA-N -1 3 360.454 3.076 20 0 FGADHM C[C@@H]1CN(c2ccc(NC([O-])=NO[C@H]3CCCCO3)cc2F)C[C@H](C)O1 ZINC000274216901 497043521 /nfs/dbraw/zinc/04/35/21/497043521.db2.gz PRKVHARGOQHFJR-AHIWAGSCSA-N -1 3 367.421 3.019 20 0 FGADHM C[C@@H]1CN(c2ccc(NC(=O)[N-]O[C@H]3CCCCO3)cc2F)C[C@H](C)O1 ZINC000274216901 497043523 /nfs/dbraw/zinc/04/35/23/497043523.db2.gz PRKVHARGOQHFJR-AHIWAGSCSA-N -1 3 367.421 3.019 20 0 FGADHM Cc1ccccc1Cc1noc(CN2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])n1 ZINC000248613579 497057630 /nfs/dbraw/zinc/05/76/30/497057630.db2.gz YIOUNSJIWBLQJY-BBWFWOEESA-N -1 3 355.438 3.187 20 0 FGADHM COc1cc(C(=O)NCCCc2cn(-c3ccccc3)nc2C)ccc1[O-] ZINC000572070793 505881871 /nfs/dbraw/zinc/88/18/71/505881871.db2.gz ZKDBCRUYJIYZIB-UHFFFAOYSA-N -1 3 365.433 3.258 20 0 FGADHM C[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000230586085 497106148 /nfs/dbraw/zinc/10/61/48/497106148.db2.gz XWTZFFQJKUPZRG-RNCFNFMXSA-N -1 3 350.253 3.445 20 0 FGADHM Cc1ccc(C)c([C@@H]2CCCN2C(=O)CNC(=O)c2cccc([O-])c2)c1 ZINC000274416668 497093304 /nfs/dbraw/zinc/09/33/04/497093304.db2.gz IBQWOZPCSUVOAH-IBGZPJMESA-N -1 3 352.434 3.103 20 0 FGADHM O=S(=O)([N-][C@H]1C[C@H]1c1ccccc1)c1ccc(Br)c(F)c1 ZINC000230603779 497105308 /nfs/dbraw/zinc/10/53/08/497105308.db2.gz VDXQNNCMYNBBEP-WFASDCNBSA-N -1 3 370.243 3.423 20 0 FGADHM CCN(Cc1nc(-c2ccc(OC)cc2)no1)C1CCC(C(=O)[O-])CC1 ZINC000574928211 505885006 /nfs/dbraw/zinc/88/50/06/505885006.db2.gz MVNOYWULMUATRK-UHFFFAOYSA-N -1 3 359.426 3.211 20 0 FGADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCC(Oc2ncccc2F)CC1 ZINC000278433672 497112002 /nfs/dbraw/zinc/11/20/02/497112002.db2.gz VDUSYLMUMFMDFG-UHFFFAOYSA-N -1 3 367.380 3.158 20 0 FGADHM O=S(=O)([N-]C[C@H]1CCCS1)c1ccc(Cl)c(Br)c1 ZINC000236054784 497115840 /nfs/dbraw/zinc/11/58/40/497115840.db2.gz HUVMQOIIUDZRJV-MRVPVSSYSA-N -1 3 370.721 3.276 20 0 FGADHM COC(=O)c1cccc(CNC(=O)c2cc([O-])ccc2C(F)(F)F)c1 ZINC000189500245 497140598 /nfs/dbraw/zinc/14/05/98/497140598.db2.gz WDQRDHXFIZPHJY-UHFFFAOYSA-N -1 3 353.296 3.128 20 0 FGADHM O=C([N-]OC[C@@H]1CCOC1)Nc1ccccc1CN1CCc2ccccc21 ZINC000189513556 497145343 /nfs/dbraw/zinc/14/53/43/497145343.db2.gz ICDHWOPXKRWWLJ-MRXNPFEDSA-N -1 3 367.449 3.339 20 0 FGADHM CC(C)c1ccc(-n2cc([O-])c(C(=O)N(C)CC3(N(C)C)CCC3)n2)cc1 ZINC000189524037 497149979 /nfs/dbraw/zinc/14/99/79/497149979.db2.gz BWMQTEKYANKJQM-UHFFFAOYSA-N -1 3 370.497 3.258 20 0 FGADHM CC(C)(C)OC(=O)N1CC[C@H](CCC(=O)NCc2ccc([O-])c(F)c2)C1 ZINC000270571730 497152668 /nfs/dbraw/zinc/15/26/68/497152668.db2.gz VMHRLUVKFIUEJF-ZDUSSCGKSA-N -1 3 366.433 3.185 20 0 FGADHM Cc1n[nH]c(C(F)F)c1[N-]S(=O)(=O)C1=Cc2ccccc2OCC1 ZINC000274772197 497162236 /nfs/dbraw/zinc/16/22/36/497162236.db2.gz VHFFCOQINKNWBH-UHFFFAOYSA-N -1 3 355.366 3.221 20 0 FGADHM C[C@H](NC(=O)NCc1ccc([O-])c(F)c1)c1cccc(N2CCOC2=O)c1 ZINC000265724647 497169490 /nfs/dbraw/zinc/16/94/90/497169490.db2.gz IAOJJHKTFKMJNW-LBPRGKRZSA-N -1 3 373.384 3.048 20 0 FGADHM COc1cc(C(=O)NC[C@H]2CCCO[C@@H]2c2ccccc2)cc(OC)c1[O-] ZINC000270645284 497169727 /nfs/dbraw/zinc/16/97/27/497169727.db2.gz IFOGEDAKAINSBM-FOIQADDNSA-N -1 3 371.433 3.307 20 0 FGADHM CCCOCc1ccccc1CNC(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000270693625 497181286 /nfs/dbraw/zinc/18/12/86/497181286.db2.gz HXDUZQVWYVVWTJ-UHFFFAOYSA-N -1 3 359.422 3.266 20 0 FGADHM Cc1ccc(F)c(S(=O)(=O)[N-]Cc2nc(C(F)(F)F)cs2)c1 ZINC000265898656 497202766 /nfs/dbraw/zinc/20/27/66/497202766.db2.gz UEWIINQGYKOSOL-UHFFFAOYSA-N -1 3 354.350 3.088 20 0 FGADHM COc1cccc(C(=O)N2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)c1[O-] ZINC000578221717 505891088 /nfs/dbraw/zinc/89/10/88/505891088.db2.gz XEUGEQFKMXUSME-AWEZNQCLSA-N -1 3 373.371 3.222 20 0 FGADHM COc1ccccc1[C@@H]1CCN(C(=O)c2cc(OC)c([O-])c(OC)c2)C1 ZINC000270819093 497209288 /nfs/dbraw/zinc/20/92/88/497209288.db2.gz PXQIJKRTMXPWST-CYBMUJFWSA-N -1 3 357.406 3.048 20 0 FGADHM COc1cc(C(=O)N[C@H](C[C@H]2CCOC2)c2ccccc2)cc(OC)c1[O-] ZINC000270963965 497234169 /nfs/dbraw/zinc/23/41/69/497234169.db2.gz HCUCSKMBRJOGRH-RHSMWYFYSA-N -1 3 371.433 3.307 20 0 FGADHM COc1cc(C(=O)N[C@@H](C[C@@H]2CCOC2)c2ccccc2)cc(OC)c1[O-] ZINC000270963972 497234679 /nfs/dbraw/zinc/23/46/79/497234679.db2.gz HCUCSKMBRJOGRH-YOEHRIQHSA-N -1 3 371.433 3.307 20 0 FGADHM CC(C)c1ccc(Cn2nccc2NC([O-])=NOC[C@@H]2CCOC2)cc1 ZINC000189775929 497240870 /nfs/dbraw/zinc/24/08/70/497240870.db2.gz AABZASQRLRTBDN-MRXNPFEDSA-N -1 3 358.442 3.144 20 0 FGADHM CC(C)c1ccc(Cn2nccc2NC(=O)[N-]OC[C@@H]2CCOC2)cc1 ZINC000189775929 497240873 /nfs/dbraw/zinc/24/08/73/497240873.db2.gz AABZASQRLRTBDN-MRXNPFEDSA-N -1 3 358.442 3.144 20 0 FGADHM CC[C@@H](NC(=O)CNC(=O)c1cccc([O-])c1)c1ccc(Cl)s1 ZINC000275142385 497243103 /nfs/dbraw/zinc/24/31/03/497243103.db2.gz LZDXPTFXYDIBME-GFCCVEGCSA-N -1 3 352.843 3.104 20 0 FGADHM COC[C@H]([N-]S(=O)(=O)c1sccc1OC)c1ccc(Cl)cc1 ZINC000192929075 497250017 /nfs/dbraw/zinc/25/00/17/497250017.db2.gz SXAAGGDVZFDFCF-LBPRGKRZSA-N -1 3 361.872 3.076 20 0 FGADHM Cc1cc(CS(=O)(=O)[N-][C@@H](CC(F)(F)F)c2ccc(F)cc2)no1 ZINC000271086378 497261254 /nfs/dbraw/zinc/26/12/54/497261254.db2.gz ZOHOTPRKVLKKIM-ZDUSSCGKSA-N -1 3 366.336 3.235 20 0 FGADHM COC(=O)CCCc1nnc([N-]C(=O)c2ccc(C)c(Cl)c2F)s1 ZINC000278911780 497265140 /nfs/dbraw/zinc/26/51/40/497265140.db2.gz AGXZDUVDDVVIMU-UHFFFAOYSA-N -1 3 371.821 3.387 20 0 FGADHM COC(=O)c1ccc(C)c([N-]C(=O)c2cc(-c3cccs3)on2)c1O ZINC000192991884 497268586 /nfs/dbraw/zinc/26/85/86/497268586.db2.gz NAMAKHVGCQIFOF-UHFFFAOYSA-N -1 3 358.375 3.456 20 0 FGADHM CCCCNC(=O)[C@H]1CCCN(C(=O)c2cc([O-])ccc2C(F)(F)F)C1 ZINC000193016164 497275797 /nfs/dbraw/zinc/27/57/97/497275797.db2.gz KWAKLVOMRPQQLG-LBPRGKRZSA-N -1 3 372.387 3.180 20 0 FGADHM Cc1cccc([C@@H](CNC(=O)c2cc([O-])ccc2Cl)N2CCOCC2)c1 ZINC000278945807 497276991 /nfs/dbraw/zinc/27/69/91/497276991.db2.gz VDJZRZMBQCRGQD-LJQANCHMSA-N -1 3 374.868 3.157 20 0 FGADHM COc1ccc([O-])c(C(=O)Nc2ccccc2NC(=O)N2CCCC2)c1 ZINC000271247614 497302836 /nfs/dbraw/zinc/30/28/36/497302836.db2.gz JTZMLQUKJQVRKD-UHFFFAOYSA-N -1 3 355.394 3.281 20 0 FGADHM CCOc1cccc2[nH]cc(CC(=O)Nc3nnc(-c4ccc(C)o4)[n-]3)c21 ZINC000189975793 497311444 /nfs/dbraw/zinc/31/14/44/497311444.db2.gz JUEKGGZGYRKNCU-UHFFFAOYSA-N -1 3 365.393 3.434 20 0 FGADHM CCOc1cccc2[nH]cc(CC(=O)Nc3nc(-c4ccc(C)o4)n[n-]3)c21 ZINC000189975793 497311448 /nfs/dbraw/zinc/31/14/48/497311448.db2.gz JUEKGGZGYRKNCU-UHFFFAOYSA-N -1 3 365.393 3.434 20 0 FGADHM CCOc1cccc2[nH]cc(CC(=O)Nc3n[n-]c(-c4ccc(C)o4)n3)c21 ZINC000189975793 497311454 /nfs/dbraw/zinc/31/14/54/497311454.db2.gz JUEKGGZGYRKNCU-UHFFFAOYSA-N -1 3 365.393 3.434 20 0 FGADHM CCC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCO3)cc1 ZINC000271303273 497315556 /nfs/dbraw/zinc/31/55/56/497315556.db2.gz JBIPWMURVQNYIR-UHFFFAOYSA-N -1 3 360.435 3.161 20 0 FGADHM COc1ccc(Br)c(CNC[C@H]2CC[C@H](C(=O)[O-])CC2)c1 ZINC000253108608 497323255 /nfs/dbraw/zinc/32/32/55/497323255.db2.gz CJXDMUPHMPHJTA-HAQNSBGRSA-N -1 3 356.260 3.438 20 0 FGADHM CC(C)c1ccc(C(=O)N2CCOC[C@H]2C[C@@H](O)c2ccco2)c([O-])c1 ZINC000271347713 497325912 /nfs/dbraw/zinc/32/59/12/497325912.db2.gz GVPFOOXNXKBVRA-CRAIPNDOSA-N -1 3 359.422 3.073 20 0 FGADHM Cc1ccc(SCC(=O)Nc2ccc(F)c([N-]S(C)(=O)=O)c2)cc1 ZINC000193235383 497330532 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Cc1ccccc1[C@@H](C)NC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000292399626 498000561 /nfs/dbraw/zinc/00/05/61/498000561.db2.gz LSXGWPDVRNHFOI-KGLIPLIRSA-N -1 3 371.403 3.156 20 0 FGADHM C[C@@H]1CCCc2nc(S(=O)(=O)[N-]C(C)(C)c3cccc(F)c3)cn21 ZINC000569557559 505963724 /nfs/dbraw/zinc/96/37/24/505963724.db2.gz RVTMACTYKASAHE-GFCCVEGCSA-N -1 3 351.447 3.133 20 0 FGADHM CS(=O)(=O)[N-]c1ccc(-c2nc(Cc3cc4ccccc4o3)no2)cc1 ZINC000349785257 498013115 /nfs/dbraw/zinc/01/31/15/498013115.db2.gz RFOCULAXHHHVTF-UHFFFAOYSA-N -1 3 369.402 3.445 20 0 FGADHM Cc1ccn(-c2ccc([N-]S(=O)(=O)c3cc4c(cc3C)OCO4)cc2)n1 ZINC000572429044 505966853 /nfs/dbraw/zinc/96/68/53/505966853.db2.gz YNPPOIFXRABCDY-UHFFFAOYSA-N -1 3 371.418 3.019 20 0 FGADHM Cn1cnnc1Sc1ccccc1[N-]S(=O)(=O)C1=CCCCC1 ZINC000281136817 498032723 /nfs/dbraw/zinc/03/27/23/498032723.db2.gz JOXPSWFLHYQYIK-UHFFFAOYSA-N -1 3 350.469 3.166 20 0 FGADHM CO[C@@H](c1ccccc1F)[C@H](C)NC(=O)c1c[n-]nc1-c1ccccn1 ZINC000578565987 505969486 /nfs/dbraw/zinc/96/94/86/505969486.db2.gz WFRYLOHIRWTKMV-KPZWWZAWSA-N -1 3 354.385 3.117 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@@](C)(O)c3ccccc3)nc2)n1 ZINC000301301615 498047937 /nfs/dbraw/zinc/04/79/37/498047937.db2.gz VMQSUDOCAXDVIQ-HXUWFJFHSA-N -1 3 350.422 3.126 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@H](O)c3c(F)cccc3F)nc2)n1 ZINC000301337962 498062894 /nfs/dbraw/zinc/06/28/94/498062894.db2.gz HENLGOTVOGEBOW-HNNXBMFYSA-N -1 3 372.375 3.230 20 0 FGADHM [O-]c1ccc(Br)c(CN2CC[C@@H](C(F)(F)F)[C@H](CO)C2)c1 ZINC000289275238 498087413 /nfs/dbraw/zinc/08/74/13/498087413.db2.gz GRDXGKCGZGFIBL-CMPLNLGQSA-N -1 3 368.193 3.147 20 0 FGADHM Cc1ccccc1-c1cc(=NC(=O)c2ccc3c(c2)SCC(=O)N3)[nH][n-]1 ZINC000569629648 505980211 /nfs/dbraw/zinc/98/02/11/505980211.db2.gz UEECERHAMPZSGW-UHFFFAOYSA-N -1 3 364.430 3.104 20 0 FGADHM Cc1cc(CNCc2cc([O-])cc(C(F)(F)F)c2)nc(N2CCCC2)n1 ZINC000292706037 498116756 /nfs/dbraw/zinc/11/67/56/498116756.db2.gz CWTJDWFCRQVLBS-UHFFFAOYSA-N -1 3 366.387 3.399 20 0 FGADHM COC(=O)Cc1cccc(S(=O)(=O)[N-]c2c(C)cccc2Cl)c1 ZINC000569635017 505981338 /nfs/dbraw/zinc/98/13/38/505981338.db2.gz KZZUCVZZVGUEOG-UHFFFAOYSA-N -1 3 353.827 3.165 20 0 FGADHM CCn1ncc2cc(-c3nc(-c4ccc([O-])c(OC)c4)no3)c(C)nc21 ZINC000350603609 498123481 /nfs/dbraw/zinc/12/34/81/498123481.db2.gz FRDDOAAECJWQCZ-UHFFFAOYSA-N -1 3 351.366 3.191 20 0 FGADHM CCCS(=O)(=O)[N-]c1ccc(-c2nc([C@H]3CCOC[C@@H]3C)no2)cc1 ZINC000350609358 498124721 /nfs/dbraw/zinc/12/47/21/498124721.db2.gz JUGATDVFIJCERU-WFASDCNBSA-N -1 3 365.455 3.028 20 0 FGADHM Cc1cc(C)cc(NC(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)c1 ZINC000289403226 498133776 /nfs/dbraw/zinc/13/37/76/498133776.db2.gz AMCNYTOGZQZSCX-ZDUSSCGKSA-N -1 3 357.376 3.226 20 0 FGADHM COc1cc(-c2noc(CN(C)C(C)C)n2)cc(Br)c1[O-] ZINC000350771283 498134161 /nfs/dbraw/zinc/13/41/61/498134161.db2.gz BOWDWGIFTBDOSI-UHFFFAOYSA-N -1 3 356.220 3.054 20 0 FGADHM CCCN(C)Cc1nc(-c2cc(Br)c([O-])c(OC)c2)no1 ZINC000350772925 498134340 /nfs/dbraw/zinc/13/43/40/498134340.db2.gz FYVXJWNBLQNBSD-UHFFFAOYSA-N -1 3 356.220 3.055 20 0 FGADHM COc1cccc([C@@H]2[C@@H](N[C@H](C)c3nc(C)cc(=O)[n-]3)CCN2C2CC2)c1 ZINC000572500826 505984371 /nfs/dbraw/zinc/98/43/71/505984371.db2.gz PILWJXXLLMCPPD-HEFCMCLBSA-N -1 3 368.481 3.128 20 0 FGADHM CCOc1cc(-c2noc(-c3cccc(C[S@@](C)=O)c3)n2)ccc1[O-] ZINC000350792808 498137614 /nfs/dbraw/zinc/13/76/14/498137614.db2.gz LSAFSDHNFJLJFU-RUZDIDTESA-N -1 3 358.419 3.386 20 0 FGADHM O=c1[n-]n(CCc2nc(-c3coc4ccccc34)no2)c(=O)c2ccccc12 ZINC000350903888 498148791 /nfs/dbraw/zinc/14/87/91/498148791.db2.gz SGXCVCQZLRHMFN-UHFFFAOYSA-N -1 3 374.356 3.141 20 0 FGADHM CC(C)[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)CCO1 ZINC000330620825 498161702 /nfs/dbraw/zinc/16/17/02/498161702.db2.gz ARNUVKBHCMZPKF-WCQYABFASA-N -1 3 369.380 3.326 20 0 FGADHM CCCCCC[C@@](C)(CCC)C(=O)N1CCO[C@@H](CN(C)CC(=O)[O-])C1 ZINC000364831178 498163306 /nfs/dbraw/zinc/16/33/06/498163306.db2.gz SPVSACSFVNBSJL-FXAWDEMLSA-N -1 3 370.534 3.007 20 0 FGADHM CCCCCC[C@](C)(CCC)C(=O)N1CCO[C@@H](CN(C)CC(=O)[O-])C1 ZINC000364831241 498163617 /nfs/dbraw/zinc/16/36/17/498163617.db2.gz SPVSACSFVNBSJL-PXNSSMCTSA-N -1 3 370.534 3.007 20 0 FGADHM O=S1(=O)C[C@H](NCc2cc([O-])cc(C(F)(F)F)c2)c2ccccc21 ZINC000289490776 498166831 /nfs/dbraw/zinc/16/68/31/498166831.db2.gz KXNQUAKCWNGJMQ-AWEZNQCLSA-N -1 3 357.353 3.029 20 0 FGADHM CS[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cccnc2C(F)(F)F)C1 ZINC000330662859 498169055 /nfs/dbraw/zinc/16/90/55/498169055.db2.gz DPQLQOOVQQZSSH-ZJUUUORDSA-N -1 3 354.419 3.053 20 0 FGADHM Cc1ccc2[n-]cc(C(=O)Nc3cnn(C)c3-c3ccccc3)c(=O)c2c1 ZINC000569679598 505991245 /nfs/dbraw/zinc/99/12/45/505991245.db2.gz FYXJCXZFTBDCPK-UHFFFAOYSA-N -1 3 358.401 3.489 20 0 FGADHM Cc1cnccc1S[C@@H](C)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000292864877 498175384 /nfs/dbraw/zinc/17/53/84/498175384.db2.gz UGIKHECVRNGYJD-LBPRGKRZSA-N -1 3 350.465 3.125 20 0 FGADHM NC(=O)c1ccc(C[N-]c2nc(-c3cc(Cl)cc(Cl)c3)no2)o1 ZINC000301595677 498179587 /nfs/dbraw/zinc/17/95/87/498179587.db2.gz RWQQSTSRCNHKLU-UHFFFAOYSA-N -1 3 353.165 3.347 20 0 FGADHM CC[C@@H]([N-]S(=O)(=O)c1ccc(Br)o1)c1c(C)noc1C ZINC000330825357 498200721 /nfs/dbraw/zinc/20/07/21/498200721.db2.gz REYRSMKCKIPLML-SECBINFHSA-N -1 3 363.233 3.077 20 0 FGADHM COc1cccc(-c2nc(-c3cnc(C4CCCC4)nc3N)no2)c1[O-] ZINC000292937333 498202635 /nfs/dbraw/zinc/20/26/35/498202635.db2.gz GEAULCSCYAUKMF-UHFFFAOYSA-N -1 3 353.382 3.148 20 0 FGADHM CSCCON=C([O-])Nc1cccc(S(=O)(=O)C2CCCCC2)c1 ZINC000296847105 498220711 /nfs/dbraw/zinc/22/07/11/498220711.db2.gz SBZHAIWTZILDLA-UHFFFAOYSA-N -1 3 372.512 3.209 20 0 FGADHM CSCCO[N-]C(=O)Nc1cccc(S(=O)(=O)C2CCCCC2)c1 ZINC000296847105 498220719 /nfs/dbraw/zinc/22/07/19/498220719.db2.gz SBZHAIWTZILDLA-UHFFFAOYSA-N -1 3 372.512 3.209 20 0 FGADHM COCCC[C@H](CNC(=O)Cc1cncc([O-])c1)c1ccc(Cl)cc1 ZINC000569708020 505999078 /nfs/dbraw/zinc/99/90/78/505999078.db2.gz GHTQEXMIHZZZPT-MRXNPFEDSA-N -1 3 362.857 3.310 20 0 FGADHM O=S(=O)([N-]C1(C2CC2)CCOCC1)c1cc(Cl)ccc1Cl ZINC000364946951 498222125 /nfs/dbraw/zinc/22/21/25/498222125.db2.gz UFQIUQCVAXWATF-UHFFFAOYSA-N -1 3 350.267 3.231 20 0 FGADHM CCCCOc1ccc(C(=O)N2CC[C@H](OCc3ccncc3)C2)c([O-])c1 ZINC000364971863 498233884 /nfs/dbraw/zinc/23/38/84/498233884.db2.gz FZCSUIYAENYDNW-SFHVURJKSA-N -1 3 370.449 3.397 20 0 FGADHM CN(C[C@@H]1CCCN1C(=O)c1cc(=O)c2ccccc2[n-]1)c1ccccc1 ZINC000360125326 498248958 /nfs/dbraw/zinc/24/89/58/498248958.db2.gz ZSSZGOIIVSWAOY-KRWDZBQOSA-N -1 3 361.445 3.269 20 0 FGADHM CC(C)n1nc(-c2ccco2)cc1-n1c([O-])c(CC(F)(F)F)[nH]c1=O ZINC000286051353 498278626 /nfs/dbraw/zinc/27/86/26/498278626.db2.gz ORAYYIBJUQVZGH-SNVBAGLBSA-N -1 3 356.304 3.101 20 0 FGADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1cccc(Oc2ccccn2)c1 ZINC000297026585 498292702 /nfs/dbraw/zinc/29/27/02/498292702.db2.gz UGSGQMBDTIBTCV-UHFFFAOYSA-N -1 3 359.382 3.269 20 0 FGADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1cccc(Oc2ccccn2)c1 ZINC000297026585 498292711 /nfs/dbraw/zinc/29/27/11/498292711.db2.gz UGSGQMBDTIBTCV-UHFFFAOYSA-N -1 3 359.382 3.269 20 0 FGADHM CS[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cnccc2C(F)(F)F)C1 ZINC000331291142 498294562 /nfs/dbraw/zinc/29/45/62/498294562.db2.gz WJXWTJVKRBPAAP-VHSXEESVSA-N -1 3 354.419 3.053 20 0 FGADHM Cc1ccc(Br)cc1-n1c([O-])c(CC(F)(F)F)[nH]c1=O ZINC000286118502 498297459 /nfs/dbraw/zinc/29/74/59/498297459.db2.gz WRXUCNTYJAUTOY-MRVPVSSYSA-N -1 3 351.122 3.135 20 0 FGADHM C[C@@H]1CN(Cc2ccccc2NC([O-])=NOC/C=C/Cl)C[C@@H](C)O1 ZINC000289800828 498299229 /nfs/dbraw/zinc/29/92/29/498299229.db2.gz KWSRSGBEGUKMNG-QLNSKBQOSA-N -1 3 353.850 3.101 20 0 FGADHM C[C@@H]1CN(Cc2ccccc2NC(=O)[N-]OC/C=C/Cl)C[C@@H](C)O1 ZINC000289800828 498299235 /nfs/dbraw/zinc/29/92/35/498299235.db2.gz KWSRSGBEGUKMNG-QLNSKBQOSA-N -1 3 353.850 3.101 20 0 FGADHM O=C(N[C@@H](c1cccnc1)c1ccc(F)c(F)c1)c1ccc(O)cc1[O-] ZINC000360737374 498304802 /nfs/dbraw/zinc/30/48/02/498304802.db2.gz HVWOIHUOAVYXGT-GOSISDBHSA-N -1 3 356.328 3.290 20 0 FGADHM CCN(CC)[C@H](CNC(=O)c1cccc(C(=O)[O-])c1)c1cccc(OC)c1 ZINC000581547676 506013217 /nfs/dbraw/zinc/01/32/17/506013217.db2.gz PASKCWRTYBPDBI-LJQANCHMSA-N -1 3 370.449 3.206 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)[C@H]1CCO[C@H](C)C1)c1nc(C(F)(F)F)cs1 ZINC000331347879 498307638 /nfs/dbraw/zinc/30/76/38/498307638.db2.gz WWNCZILRSADSFP-UTLUCORTSA-N -1 3 372.434 3.100 20 0 FGADHM CCOc1cc(CN2CCC[C@@H]2C[C@H](C)O)cc(Br)c1[O-] ZINC000331357294 498309226 /nfs/dbraw/zinc/30/92/26/498309226.db2.gz SYUXJEYSXQDDNQ-WCQYABFASA-N -1 3 358.276 3.289 20 0 FGADHM CC(C)(O)CON=C([O-])Nc1ccc(C(F)(F)F)cc1Br ZINC000286175930 498314863 /nfs/dbraw/zinc/31/48/63/498314863.db2.gz ZRSIBLHLRKJXCX-UHFFFAOYSA-N -1 3 371.153 3.292 20 0 FGADHM CC(C)(O)CO[N-]C(=O)Nc1ccc(C(F)(F)F)cc1Br ZINC000286175930 498314869 /nfs/dbraw/zinc/31/48/69/498314869.db2.gz ZRSIBLHLRKJXCX-UHFFFAOYSA-N -1 3 371.153 3.292 20 0 FGADHM Cc1nc(-c2ccc(NC(=O)N3CCO[C@@H](C(C)(C)C)C3)cc2)cc(=O)[n-]1 ZINC000569779739 506014502 /nfs/dbraw/zinc/01/45/02/506014502.db2.gz SSUOEWIDSJYZTN-QGZVFWFLSA-N -1 3 370.453 3.436 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H](C)C[C@@H](O)c3ccco3)nc2)n1 ZINC000301913158 498324416 /nfs/dbraw/zinc/32/44/16/498324416.db2.gz UFXANGZYDTWSES-SWLSCSKDSA-N -1 3 354.410 3.324 20 0 FGADHM Cc1cc(Cn2nnc(C(=O)Nc3cc(C(C)(C)C)ccc3[O-])c2C)on1 ZINC000293270095 498327410 /nfs/dbraw/zinc/32/74/10/498327410.db2.gz FPUXRHGPICIUOR-UHFFFAOYSA-N -1 3 369.425 3.187 20 0 FGADHM C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)NCc2nnc(C(F)(F)F)[n-]2)C1 ZINC000331432842 498330557 /nfs/dbraw/zinc/33/05/57/498330557.db2.gz BYUZLSWGKXXXSX-BXKDBHETSA-N -1 3 371.338 3.255 20 0 FGADHM C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)NCc2n[n-]c(C(F)(F)F)n2)C1 ZINC000331432842 498330565 /nfs/dbraw/zinc/33/05/65/498330565.db2.gz BYUZLSWGKXXXSX-BXKDBHETSA-N -1 3 371.338 3.255 20 0 FGADHM C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)NCc2nc(C(F)(F)F)n[n-]2)C1 ZINC000331432842 498330570 /nfs/dbraw/zinc/33/05/70/498330570.db2.gz BYUZLSWGKXXXSX-BXKDBHETSA-N -1 3 371.338 3.255 20 0 FGADHM CC(C)OCc1cc(NC(=O)Nc2cc(C(=O)N(C)C)ccn2)ccc1[O-] ZINC000289889905 498338951 /nfs/dbraw/zinc/33/89/51/498338951.db2.gz AKNAMQHFCLIXEL-UHFFFAOYSA-N -1 3 372.425 3.058 20 0 FGADHM Cc1ccc([C@@H]2CCCCN2C(=O)NCc2nnc(C(F)(F)F)[n-]2)o1 ZINC000331520767 498357862 /nfs/dbraw/zinc/35/78/62/498357862.db2.gz VSQACLLZOGFRPP-JTQLQIEISA-N -1 3 357.336 3.162 20 0 FGADHM Cc1ccc([C@@H]2CCCCN2C(=O)NCc2n[n-]c(C(F)(F)F)n2)o1 ZINC000331520767 498357868 /nfs/dbraw/zinc/35/78/68/498357868.db2.gz VSQACLLZOGFRPP-JTQLQIEISA-N -1 3 357.336 3.162 20 0 FGADHM Cc1ccc([C@@H]2CCCCN2C(=O)NCc2nc(C(F)(F)F)n[n-]2)o1 ZINC000331520767 498357871 /nfs/dbraw/zinc/35/78/71/498357871.db2.gz VSQACLLZOGFRPP-JTQLQIEISA-N -1 3 357.336 3.162 20 0 FGADHM Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)NCc2nnc(C(F)(F)F)[n-]2)o1 ZINC000331518449 498358498 /nfs/dbraw/zinc/35/84/98/498358498.db2.gz VKWMBBPHHCACCM-ONGXEEELSA-N -1 3 371.363 3.408 20 0 FGADHM Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)NCc2n[n-]c(C(F)(F)F)n2)o1 ZINC000331518449 498358507 /nfs/dbraw/zinc/35/85/07/498358507.db2.gz VKWMBBPHHCACCM-ONGXEEELSA-N -1 3 371.363 3.408 20 0 FGADHM Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)NCc2nc(C(F)(F)F)n[n-]2)o1 ZINC000331518449 498358513 /nfs/dbraw/zinc/35/85/13/498358513.db2.gz VKWMBBPHHCACCM-ONGXEEELSA-N -1 3 371.363 3.408 20 0 FGADHM Cc1cc([N-]C(=O)[C@H](C)N2CCC(c3noc4cc(F)ccc43)CC2)on1 ZINC000289941844 498361003 /nfs/dbraw/zinc/36/10/03/498361003.db2.gz VNABEGZBUPMTAK-LBPRGKRZSA-N -1 3 372.400 3.470 20 0 FGADHM O=c1c(Sc2nnc([N-]c3ccccc3F)s2)nccn1C1CC1 ZINC000301995543 498360948 /nfs/dbraw/zinc/36/09/48/498360948.db2.gz HHIBDNHQQBPYKW-UHFFFAOYSA-N -1 3 361.427 3.464 20 0 FGADHM COc1cc(OC)cc([C@@H]([N-]c2noc(C(C)(C)C)n2)c2nccn2C)c1 ZINC000302051880 498385286 /nfs/dbraw/zinc/38/52/86/498385286.db2.gz OHVCUNCWRUZRHQ-OAHLLOKOSA-N -1 3 371.441 3.319 20 0 FGADHM C[C@H]1CN(c2ccc(NC([O-])=NOC/C=C/Cl)cc2F)C[C@H](C)O1 ZINC000289999918 498389128 /nfs/dbraw/zinc/38/91/28/498389128.db2.gz YCRHEXLVEJSXRK-NDYVEPOPSA-N -1 3 357.813 3.245 20 0 FGADHM C[C@H]1CN(c2ccc(NC(=O)[N-]OC/C=C/Cl)cc2F)C[C@H](C)O1 ZINC000289999918 498389133 /nfs/dbraw/zinc/38/91/33/498389133.db2.gz YCRHEXLVEJSXRK-NDYVEPOPSA-N -1 3 357.813 3.245 20 0 FGADHM COc1cc(CN2CC[C@H](C)[C@@H](C(=O)[O-])C2)ccc1OCc1ccncc1 ZINC000569846186 506030182 /nfs/dbraw/zinc/03/01/82/506030182.db2.gz RPYJWVLJPLMVAT-YJBOKZPZSA-N -1 3 370.449 3.212 20 0 FGADHM CC(C)[C@H](CCc1ccccc1)C(=O)N=c1[n-]n(C)cc1Br ZINC000569848546 506030757 /nfs/dbraw/zinc/03/07/57/506030757.db2.gz ISXXRTXKFISDIK-AWEZNQCLSA-N -1 3 364.287 3.448 20 0 FGADHM CO[C@H](C)CS(=O)(=O)[N-]c1ccc(Sc2nnc(C)s2)cc1C ZINC000282210617 498424714 /nfs/dbraw/zinc/42/47/14/498424714.db2.gz MSUFGIOFFUUBLR-SNVBAGLBSA-N -1 3 373.525 3.083 20 0 FGADHM O=C(c1ccc(O)cc1[O-])N1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000361767623 498428710 /nfs/dbraw/zinc/42/87/10/498428710.db2.gz MYIKEEASSQTCKG-LLVKDONJSA-N -1 3 356.353 3.398 20 0 FGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCCc3c2cnn3C)c1Cl ZINC000331783485 498453299 /nfs/dbraw/zinc/45/32/99/498453299.db2.gz IIQUXOALEBOQJP-LBPRGKRZSA-N -1 3 374.293 3.391 20 0 FGADHM Cc1cc(C)c2ncc(C(=O)[O-])c(N3CCCN(CC(F)F)CC3)c2c1 ZINC000572725263 506037521 /nfs/dbraw/zinc/03/75/21/506037521.db2.gz FVHMGPCCAPTRCY-UHFFFAOYSA-N -1 3 363.408 3.327 20 0 FGADHM COCc1nc(C[N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)cs1 ZINC000290198044 498461676 /nfs/dbraw/zinc/46/16/76/498461676.db2.gz SWKHYXBSJZQMJE-UHFFFAOYSA-N -1 3 367.279 3.075 20 0 FGADHM COC(=O)C(C)(C)c1csc([N-]C(=O)c2occc2Br)n1 ZINC000293707442 498462216 /nfs/dbraw/zinc/46/22/16/498462216.db2.gz FDCCWIFYTDJHPI-UHFFFAOYSA-N -1 3 373.228 3.202 20 0 FGADHM CN(Cc1ccccc1)[C@H](CNC(=O)c1c(F)ccc([O-])c1F)C1CC1 ZINC000569888303 506038998 /nfs/dbraw/zinc/03/89/98/506038998.db2.gz HEEPCMGTWLTJCZ-MRXNPFEDSA-N -1 3 360.404 3.311 20 0 FGADHM C[C@H]1CCn2ncc(C(=O)Nc3ccc(OC(F)(F)F)cc3[O-])c2C1 ZINC000578896229 506047312 /nfs/dbraw/zinc/04/73/12/506047312.db2.gz WSWFCKHVUORNLG-VIFPVBQESA-N -1 3 355.316 3.322 20 0 FGADHM CCc1nn(C)c(CC)c1CN1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000362489469 498523682 /nfs/dbraw/zinc/52/36/82/498523682.db2.gz WBEJKEXCSABYSP-UHFFFAOYSA-N -1 3 355.482 3.345 20 0 FGADHM CCOc1cc(CNCc2cn(C)nc2C(F)(F)F)cc(Cl)c1[O-] ZINC000297727666 498550106 /nfs/dbraw/zinc/55/01/06/498550106.db2.gz SGEUJVCWLCKVJE-UHFFFAOYSA-N -1 3 363.767 3.486 20 0 FGADHM COc1ccc([C@H](O)[C@H]2CCCN2C(=O)c2ccc(SC)cc2[O-])cc1 ZINC000365599491 498551522 /nfs/dbraw/zinc/55/15/22/498551522.db2.gz ZEXBSHRMOCBVTR-MJGOQNOKSA-N -1 3 373.474 3.461 20 0 FGADHM CCSCc1cc(C(=O)[N-]c2nc(C(C)(C)C(=O)OC)cs2)no1 ZINC000294041647 498569987 /nfs/dbraw/zinc/56/99/87/498569987.db2.gz NQUNZKCSTSAYMO-UHFFFAOYSA-N -1 3 369.468 3.087 20 0 FGADHM C[C@@H](NC(=O)c1c[n-]c2ccccc2c1=O)[C@H]1OCCc2sccc21 ZINC000294062629 498576555 /nfs/dbraw/zinc/57/65/55/498576555.db2.gz HAVFLNADXZGHBZ-ADLMAVQZSA-N -1 3 354.431 3.434 20 0 FGADHM Cc1cc(C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)c(C)cc1Cl ZINC000332146914 498578956 /nfs/dbraw/zinc/57/89/56/498578956.db2.gz UBCIDJXZHCESIU-UHFFFAOYSA-N -1 3 372.852 3.261 20 0 FGADHM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000290518711 498583474 /nfs/dbraw/zinc/58/34/74/498583474.db2.gz ZKGVAGWXHHQHLL-XQQFMLRXSA-N -1 3 374.428 3.077 20 0 FGADHM Cc1noc([N-]C(=O)C2(S(=O)(=O)c3ccccc3)CCCCC2)c1C ZINC000297864788 498592696 /nfs/dbraw/zinc/59/26/96/498592696.db2.gz WBJUUMXNFDSDDP-UHFFFAOYSA-N -1 3 362.451 3.407 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N2Cc3ccccc3OC(C)(C)C2)c1 ZINC000290600158 498614284 /nfs/dbraw/zinc/61/42/84/498614284.db2.gz JJHKPCJAVMEIJB-UHFFFAOYSA-N -1 3 354.406 3.164 20 0 FGADHM Cc1ccc(CN2CCC[C@@H](c3n[n-]c(=O)o3)C2)c(Br)c1 ZINC000332246364 498617454 /nfs/dbraw/zinc/61/74/54/498617454.db2.gz BLMSIZRXXYUZFR-GFCCVEGCSA-N -1 3 352.232 3.226 20 0 FGADHM CN(C(=O)c1cc(=O)[n-]c(C2CC2)n1)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000576051849 506064479 /nfs/dbraw/zinc/06/44/79/506064479.db2.gz UHXUUSVTUCMFBI-SJORKVTESA-N -1 3 367.449 3.378 20 0 FGADHM Cc1nc(C)c(CCC(=O)N2CCCn3c(cc4ccccc43)C2)c(=O)[n-]1 ZINC000287097654 498627276 /nfs/dbraw/zinc/62/72/76/498627276.db2.gz LFCRKXJJSAEMEY-UHFFFAOYSA-N -1 3 364.449 3.119 20 0 FGADHM CN(C(=O)c1cc(F)cc2[n-]nnc21)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000282744819 498635839 /nfs/dbraw/zinc/63/58/39/498635839.db2.gz NMRBMXUKRQKFEZ-YOEHRIQHSA-N -1 3 372.375 3.228 20 0 FGADHM CN(C(=O)c1cc(F)cc2nn[n-]c21)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000282744819 498635845 /nfs/dbraw/zinc/63/58/45/498635845.db2.gz NMRBMXUKRQKFEZ-YOEHRIQHSA-N -1 3 372.375 3.228 20 0 FGADHM CN(C(=O)c1cc(F)cc2n[n-]nc21)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000282744819 498635850 /nfs/dbraw/zinc/63/58/50/498635850.db2.gz NMRBMXUKRQKFEZ-YOEHRIQHSA-N -1 3 372.375 3.228 20 0 FGADHM CCOc1ccc(-c2nc(C)c(C(=O)[N-]c3nc(C)n(C)n3)s2)cc1 ZINC000294266627 498637542 /nfs/dbraw/zinc/63/75/42/498637542.db2.gz PRNHLHWBGMKIEH-UHFFFAOYSA-N -1 3 357.439 3.206 20 0 FGADHM O=S(=O)([N-]CC(F)(F)c1ccccc1)c1ccccc1OC(F)F ZINC000570012341 506068415 /nfs/dbraw/zinc/06/84/15/506068415.db2.gz WBZSTJJHRWQBGJ-UHFFFAOYSA-N -1 3 363.332 3.358 20 0 FGADHM CC1CCC(N2C[C@@H](C(=O)Nc3cc(Cl)ccc3[O-])CC2=O)CC1 ZINC000303312575 498662315 /nfs/dbraw/zinc/66/23/15/498662315.db2.gz GBTXLOVWXYKOSL-LXVYMNJGSA-N -1 3 350.846 3.411 20 0 FGADHM CN(CC[C@H](C(=O)[O-])c1ccccc1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000578995572 506070142 /nfs/dbraw/zinc/07/01/42/506070142.db2.gz OPNCMOCCPYENNR-QFBILLFUSA-N -1 3 370.424 3.121 20 0 FGADHM CC(C)OCc1nc([C@@H](C)[N-]C(=O)C(F)(F)c2ccccc2F)no1 ZINC000290783190 498677751 /nfs/dbraw/zinc/67/77/51/498677751.db2.gz NGKKCQFWQVZOMI-SNVBAGLBSA-N -1 3 357.332 3.103 20 0 FGADHM C[C@@H](CCO)C1(C[N-]S(=O)(=O)c2cccc(Cl)c2Cl)CCC1 ZINC000332492159 498703345 /nfs/dbraw/zinc/70/33/45/498703345.db2.gz TUVJPUFHSAVRGT-NSHDSACASA-N -1 3 366.310 3.461 20 0 FGADHM CCO[C@@H]1C[C@H](NC(=O)c2c[n-]nc2-c2ccccn2)C12CCCCC2 ZINC000572894567 506077879 /nfs/dbraw/zinc/07/78/79/506077879.db2.gz PQXAFCDCHSKFNF-DLBZAZTESA-N -1 3 354.454 3.329 20 0 FGADHM CCOc1cc(C(=O)N2C[C@@H]3CCCCN3C[C@H]2C)cc(Cl)c1[O-] ZINC000332530306 498715363 /nfs/dbraw/zinc/71/53/63/498715363.db2.gz VBKCCSBAYHRKCP-OCCSQVGLSA-N -1 3 352.862 3.143 20 0 FGADHM CCc1cc(C(=O)N2CCC(C(=O)Nc3ncccc3C)CC2)ccc1[O-] ZINC000366001888 498726032 /nfs/dbraw/zinc/72/60/32/498726032.db2.gz OZIHJXKYGLBMAS-UHFFFAOYSA-N -1 3 367.449 3.149 20 0 FGADHM CN1CCC(Nc2ccccc2NC(=O)c2s[n-]c(=O)c2Cl)CC1 ZINC000283000944 498741636 /nfs/dbraw/zinc/74/16/36/498741636.db2.gz ILJVBADMNADGGC-UHFFFAOYSA-N -1 3 366.874 3.261 20 0 FGADHM O=C(NCC1CCN(Cc2cccs2)CC1)c1s[n-]c(=O)c1Cl ZINC000283005867 498743393 /nfs/dbraw/zinc/74/33/93/498743393.db2.gz KXVLZONJLGIUOL-UHFFFAOYSA-N -1 3 371.915 3.206 20 0 FGADHM CSc1cccc(S(=O)(=O)[N-][C@@H](c2nccs2)C(F)(F)F)c1 ZINC000576130965 506084281 /nfs/dbraw/zinc/08/42/81/506084281.db2.gz JGLWESLRVAGXMG-JTQLQIEISA-N -1 3 368.427 3.447 20 0 FGADHM CSc1ncc(C(=O)N=c2cc3ccccn3[n-]2)n1-c1ccc(F)cc1 ZINC000570066566 506082998 /nfs/dbraw/zinc/08/29/98/506082998.db2.gz FAVARZIIPWSVGR-UHFFFAOYSA-N -1 3 367.409 3.055 20 0 FGADHM COc1ccc([O-])c(C(=O)N(C)[C@H](c2ccc(F)cc2)c2cnccn2)c1 ZINC000363339142 498769107 /nfs/dbraw/zinc/76/91/07/498769107.db2.gz RJMJZQANGQLCOS-LJQANCHMSA-N -1 3 367.380 3.192 20 0 FGADHM CC(C)(C)c1noc(-c2cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c2)n1 ZINC000579103836 506095115 /nfs/dbraw/zinc/09/51/15/506095115.db2.gz MPSNBBUPNXPAFF-UHFFFAOYSA-N -1 3 363.361 3.424 20 0 FGADHM O=C([O-])c1ccc(CN2CCC3(C2)CCOCC3)c(Br)c1 ZINC000313992823 498772425 /nfs/dbraw/zinc/77/24/25/498772425.db2.gz RTOSUXGTAUPCLJ-UHFFFAOYSA-N -1 3 354.244 3.150 20 0 FGADHM CCc1nc(C)c(C[N-]S(=O)(=O)c2cc(Br)ccc2C)o1 ZINC000314822245 498781225 /nfs/dbraw/zinc/78/12/25/498781225.db2.gz WJVVNNFFJGNSNT-UHFFFAOYSA-N -1 3 373.272 3.095 20 0 FGADHM CC[C@@H](c1ccc(Br)cc1)N1CC[C@@](COC)(C(=O)[O-])C1 ZINC000315340343 498781811 /nfs/dbraw/zinc/78/18/11/498781811.db2.gz ODMJNIQWTMQPOE-GOEBONIOSA-N -1 3 356.260 3.323 20 0 FGADHM CCC[C@](C)(O)C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000318956203 498800785 /nfs/dbraw/zinc/80/07/85/498800785.db2.gz VPENDPKMULCTRH-LBPRGKRZSA-N -1 3 359.797 3.188 20 0 FGADHM Cc1ncc(Br)cc1[N-]S(=O)(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000572968910 506092885 /nfs/dbraw/zinc/09/28/85/506092885.db2.gz KVHZIDVYFQDPNZ-DZGCQCFKSA-N -1 3 367.268 3.450 20 0 FGADHM Cc1cc(C(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)c(C)n1C(C)C ZINC000291152052 498818411 /nfs/dbraw/zinc/81/84/11/498818411.db2.gz QACSDSJJDNXFJH-CQSZACIVSA-N -1 3 373.419 3.217 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)c1c(C)csc1C(=O)OC)C1CCCCC1 ZINC000322854743 498818451 /nfs/dbraw/zinc/81/84/51/498818451.db2.gz XUZNBKGZSFBRCH-ZDUSSCGKSA-N -1 3 359.513 3.480 20 0 FGADHM CC(C)(C)C[C@@H](O)C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000324137752 498825945 /nfs/dbraw/zinc/82/59/45/498825945.db2.gz WXHLYGMUNHGQFU-SNVBAGLBSA-N -1 3 373.824 3.434 20 0 FGADHM C[C@H](C1CC1)n1cc([N-]S(=O)(=O)CCC2Cc3ccccc3C2)cn1 ZINC000573005160 506097499 /nfs/dbraw/zinc/09/74/99/506097499.db2.gz FDGCQJDDEKYDNO-CQSZACIVSA-N -1 3 359.495 3.401 20 0 FGADHM CCOC(=O)c1cc(C(=O)O[C@H]([C@H]2CCCOC2)C(F)(F)F)[n-]c1C ZINC000298634604 498835207 /nfs/dbraw/zinc/83/52/07/498835207.db2.gz NCPUADQFILUTIK-GXFFZTMASA-N -1 3 363.332 3.014 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N3CC=C(c4ccnn4C)CC3)c[n-]c12 ZINC000287710083 498843036 /nfs/dbraw/zinc/84/30/36/498843036.db2.gz FZGPXYLFCXKHFE-UHFFFAOYSA-N -1 3 366.396 3.051 20 0 FGADHM Cc1ccc2[n-]cc(C(=O)N3CC[C@@](CO)(c4ccccc4)C3)c(=O)c2c1 ZINC000291210722 498844634 /nfs/dbraw/zinc/84/46/34/498844634.db2.gz MRTOMPXDFVXBQW-JOCHJYFZSA-N -1 3 362.429 3.025 20 0 FGADHM CC(C)(C)CCS(=O)(=O)[N-][C@@H](C(=O)OC(C)(C)C)c1ccccc1 ZINC000326647777 498845491 /nfs/dbraw/zinc/84/54/91/498845491.db2.gz XCDWLDJDLVGDGK-OAHLLOKOSA-N -1 3 355.500 3.425 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCCC3(CCC3)C2)c1 ZINC000366260137 498847522 /nfs/dbraw/zinc/84/75/22/498847522.db2.gz SKBQGLDAIOSDDR-UHFFFAOYSA-N -1 3 369.421 3.347 20 0 FGADHM Cc1c(-c2ccncc2)[n-][nH]c1=NC(=O)c1cccc(OC(F)(F)F)c1 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Cc1ccc([O-])c(C(=O)N2CCC(n3cc(Br)cn3)CC2)c1 ZINC000370649918 499239929 /nfs/dbraw/zinc/23/99/29/499239929.db2.gz IMYPWFXPZPCYLH-UHFFFAOYSA-N -1 3 364.243 3.137 20 0 FGADHM CCn1cnnc1[N-]C(=O)c1cc(-c2ccccc2C(F)(F)F)on1 ZINC000367900822 499243485 /nfs/dbraw/zinc/24/34/85/499243485.db2.gz GCWPGYYLUPXZLV-UHFFFAOYSA-N -1 3 351.288 3.224 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)NC[C@@H]3OCCc4ccccc43)c[n-]c12 ZINC000370694797 499245054 /nfs/dbraw/zinc/24/50/54/499245054.db2.gz RLSNJELCFKODEF-SFHVURJKSA-N -1 3 366.392 3.019 20 0 FGADHM C[C@@H]1C[C@@H](c2ccccc2)CCN1C(=O)c1cnc2c(cnn2C)c1[O-] ZINC000370698790 499245472 /nfs/dbraw/zinc/24/54/72/499245472.db2.gz KHANADPUAHRXRE-HIFRSBDPSA-N -1 3 350.422 3.082 20 0 FGADHM O=S(=O)(CCOc1ccccc1)[N-][C@@H](c1nccs1)c1ccccc1 ZINC000368135689 499268090 /nfs/dbraw/zinc/26/80/90/499268090.db2.gz RNLCTQBRPIWENE-QGZVFWFLSA-N -1 3 374.487 3.231 20 0 FGADHM O=C(c1ccc2c(c1[O-])CCCC2)N1CCC(OC2CCOCC2)CC1 ZINC000368219609 499275092 /nfs/dbraw/zinc/27/50/92/499275092.db2.gz LEWKDHQXPKPZDX-UHFFFAOYSA-N -1 3 359.466 3.071 20 0 FGADHM [O-]C(=NOCc1cccnc1)Nc1cccc2c1CN(c1ccccn1)C2 ZINC000368317094 499284870 /nfs/dbraw/zinc/28/48/70/499284870.db2.gz VTWMJNFPMZQKEG-UHFFFAOYSA-N -1 3 361.405 3.250 20 0 FGADHM O=C([N-]OCc1cccnc1)Nc1cccc2c1CN(c1ccccn1)C2 ZINC000368317094 499284872 /nfs/dbraw/zinc/28/48/72/499284872.db2.gz VTWMJNFPMZQKEG-UHFFFAOYSA-N -1 3 361.405 3.250 20 0 FGADHM COCc1nc(C(=O)[N-]c2nnc3n2CCCC3)c(-c2ccccc2)s1 ZINC000368516237 499303808 /nfs/dbraw/zinc/30/38/08/499303808.db2.gz XZSZJWSNBJIVEV-UHFFFAOYSA-N -1 3 369.450 3.137 20 0 FGADHM Cn1cc([C@H](NC(=O)c2cccc([O-])c2)c2ccc(F)c(Cl)c2)cn1 ZINC000368801789 499334377 /nfs/dbraw/zinc/33/43/77/499334377.db2.gz YHYCMZHMNYBIPE-QGZVFWFLSA-N -1 3 359.788 3.438 20 0 FGADHM CN(C[C@H]1CCCN1C(=O)c1c[n-]c2ccccc2c1=O)c1ccccc1 ZINC000368859983 499340500 /nfs/dbraw/zinc/34/05/00/499340500.db2.gz KTSSXHUHQYSXTF-QGZVFWFLSA-N -1 3 361.445 3.269 20 0 FGADHM CN1CC[C@H](CNC(=O)/C=C/c2cncc([O-])c2)[C@@H]1c1cccc(Cl)c1 ZINC000371561074 499342187 /nfs/dbraw/zinc/34/21/87/499342187.db2.gz HKGDZCLWIQOJAW-MGSHXDRLSA-N -1 3 371.868 3.263 20 0 FGADHM COCc1cccc(S(=O)(=O)[N-]c2cccc3c2CN(C2CC2)C3)c1 ZINC000371712068 499358000 /nfs/dbraw/zinc/35/80/00/499358000.db2.gz YIUXPZAKKPYCDQ-UHFFFAOYSA-N -1 3 358.463 3.112 20 0 FGADHM CSc1ccc(C(=O)N2CC[C@H](OCc3csc(C)n3)C2)c([O-])c1 ZINC000369128428 499368427 /nfs/dbraw/zinc/36/84/27/499368427.db2.gz ULFZTYKWDYUKRL-ZDUSSCGKSA-N -1 3 364.492 3.310 20 0 FGADHM O=C(c1cc([O-])ccc1Cl)N1CCC(c2nnc3ccccn32)CC1 ZINC000369290495 499388098 /nfs/dbraw/zinc/38/80/98/499388098.db2.gz NWDJPDGLGQCIJA-UHFFFAOYSA-N -1 3 356.813 3.108 20 0 FGADHM O=C(NCc1ccc([O-])c(Br)c1)N1CCCO[C@H]2CCC[C@H]21 ZINC000372020869 499390562 /nfs/dbraw/zinc/39/05/62/499390562.db2.gz BMZRRMRWLNSUEM-HIFRSBDPSA-N -1 3 369.259 3.008 20 0 FGADHM Cn1ccnc1[C@H](NC(=O)c1cc([O-])ccc1Cl)c1cccc(F)c1 ZINC000369344596 499393792 /nfs/dbraw/zinc/39/37/92/499393792.db2.gz PMIRHYWKBWPZLD-MRXNPFEDSA-N -1 3 359.788 3.438 20 0 FGADHM CCCc1nc([C@@H]([N-]S(=O)(=O)C[C@H](C)CC)c2ccccc2)no1 ZINC000369488667 499408218 /nfs/dbraw/zinc/40/82/18/499408218.db2.gz WJQHBSMULHSNNO-CJNGLKHVSA-N -1 3 351.472 3.077 20 0 FGADHM CCCc1nc([C@H]([N-]S(=O)(=O)CCC(C)C)c2ccccc2)no1 ZINC000369488769 499408332 /nfs/dbraw/zinc/40/83/32/499408332.db2.gz YEKCDBMHVFBWKU-MRXNPFEDSA-N -1 3 351.472 3.077 20 0 FGADHM CN1CC[C@@H](CNC(=O)c2cc(=O)c3ccccc3[n-]2)[C@H]1c1cccs1 ZINC000369553314 499416963 /nfs/dbraw/zinc/41/69/63/499416963.db2.gz YEQIHADSLYZEPF-DJJJIMSYSA-N -1 3 367.474 3.012 20 0 FGADHM Cc1nc(C)n(C[C@H]2CCCCN2C(=O)c2cc([O-])c3ccccc3c2)n1 ZINC000369619999 499427275 /nfs/dbraw/zinc/42/72/75/499427275.db2.gz COGUXVIBKPZSQJ-GOSISDBHSA-N -1 3 364.449 3.449 20 0 FGADHM O=C(N[C@H]1CCCN(c2ccccc2F)C1=O)c1cc([O-])ccc1Cl ZINC000372968960 499445173 /nfs/dbraw/zinc/44/51/73/499445173.db2.gz KZVODUKFKLNQMA-HNNXBMFYSA-N -1 3 362.788 3.110 20 0 FGADHM C[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(C)c3ccccc32)c2c([O-])cccc21 ZINC000373363638 499465472 /nfs/dbraw/zinc/46/54/72/499465472.db2.gz RKUWYTCDCBBTQS-CZUORRHYSA-N -1 3 350.418 3.383 20 0 FGADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CC[C@H]([C@@H]2CCOC2)C1 ZINC000378228759 499492341 /nfs/dbraw/zinc/49/23/41/499492341.db2.gz FDYIPWQRALKSKF-RBUKOAKNSA-N -1 3 351.446 3.482 20 0 FGADHM O=c1nc(CN2C[C@@H](O)C3(CC3)C2)[n-]c2scc(-c3ccccc3)c21 ZINC000375307537 499505492 /nfs/dbraw/zinc/50/54/92/499505492.db2.gz HNYKVMPUPABERO-CQSZACIVSA-N -1 3 353.447 3.021 20 0 FGADHM O=C(c1cccc([O-])c1)N1CCC([C@@H]2CCCCCN2C(=O)C2CC2)CC1 ZINC000378556162 499531258 /nfs/dbraw/zinc/53/12/58/499531258.db2.gz FTTQOEOMNSKNEN-FQEVSTJZSA-N -1 3 370.493 3.426 20 0 FGADHM CC(C)(C)OC(=O)N1CCC2(CCN(C(=O)c3cccc([O-])c3)C2)CC1 ZINC000378571205 499532798 /nfs/dbraw/zinc/53/27/98/499532798.db2.gz UTBHPHMMDQEWMM-UHFFFAOYSA-N -1 3 360.454 3.255 20 0 FGADHM C[C@H]1CCN(C(=O)c2cccc(C(=O)[O-])c2)CCN1Cc1ccccc1 ZINC000382665244 499545625 /nfs/dbraw/zinc/54/56/25/499545625.db2.gz XMJYTRKIBWBNLK-INIZCTEOSA-N -1 3 352.434 3.121 20 0 FGADHM O=S(=O)([N-]CC1CC(F)(F)C1)c1ccc(Br)cc1Cl ZINC000383281515 499546577 /nfs/dbraw/zinc/54/65/77/499546577.db2.gz PFFQMLMXTWVXTF-UHFFFAOYSA-N -1 3 374.634 3.426 20 0 FGADHM COc1ccc([O-])c(C(=O)N2CCN(Cc3ccccc3)C(C)(C)C2)c1 ZINC000383090156 499546727 /nfs/dbraw/zinc/54/67/27/499546727.db2.gz ROXKKDNTEBYGJN-UHFFFAOYSA-N -1 3 354.450 3.137 20 0 FGADHM O=S(=O)([N-][C@@H](CO)C1CCCC1)c1cc(C(F)(F)F)ccc1Cl ZINC000386070922 499548488 /nfs/dbraw/zinc/54/84/88/499548488.db2.gz ZPQVSJFSKIZFNF-LBPRGKRZSA-N -1 3 371.808 3.188 20 0 FGADHM O=S(=O)([N-]C[C@@H]1CCCC1(F)F)c1ccc(F)cc1Br ZINC000391033997 499556750 /nfs/dbraw/zinc/55/67/50/499556750.db2.gz OEGYOMFAJNSSNH-QMMMGPOBSA-N -1 3 372.206 3.302 20 0 FGADHM CCCCN(c1ccccc1)S(=O)(=O)c1ccc([O-])c(C(=O)OC)c1 ZINC000392735368 499559429 /nfs/dbraw/zinc/55/94/29/499559429.db2.gz VHHSYKYMLBXJAS-UHFFFAOYSA-N -1 3 363.435 3.174 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1F)c1nc2c(s1)CCC2 ZINC000582170505 506149966 /nfs/dbraw/zinc/14/99/66/506149966.db2.gz PRQLYQRXAUDDKN-MRVPVSSYSA-N -1 3 360.863 3.464 20 0 FGADHM C[C@@H]1CSC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000397833401 499564900 /nfs/dbraw/zinc/56/49/00/499564900.db2.gz DOAOLCAIIJGYAI-RDDDGLTNSA-N -1 3 370.721 3.132 20 0 FGADHM COc1ccc(Br)cc1S(=O)(=O)[N-][C@]1(C)CC=CCC1 ZINC000398237686 499567201 /nfs/dbraw/zinc/56/72/01/499567201.db2.gz AZZJQOPOSFAEJP-CQSZACIVSA-N -1 3 360.273 3.235 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]CCc2ccc(OC(F)F)cc2)c(F)c1 ZINC000404960154 499570976 /nfs/dbraw/zinc/57/09/76/499570976.db2.gz FNQVPWNUPSDBES-UHFFFAOYSA-N -1 3 359.369 3.257 20 0 FGADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H]1CC(C)(C)Oc2cc(F)ccc21 ZINC000408340524 499584712 /nfs/dbraw/zinc/58/47/12/499584712.db2.gz VVCYAGNCIKYMCW-CYBMUJFWSA-N -1 3 354.403 3.011 20 0 FGADHM O=C(c1ccc(C(=O)N2CCC[C@H]2c2cc[nH]n2)cc1)c1cccc([O-])c1 ZINC000376154267 499587098 /nfs/dbraw/zinc/58/70/98/499587098.db2.gz FAARRSBLRVACPB-IBGZPJMESA-N -1 3 361.401 3.324 20 0 FGADHM O=C(Nc1nc(C2CCOCC2)cs1)c1n[n-]nc1-c1ccccc1 ZINC000376206343 499590980 /nfs/dbraw/zinc/59/09/80/499590980.db2.gz IDUJITIGWQLRCB-UHFFFAOYSA-N -1 3 355.423 3.075 20 0 FGADHM O=C([O-])[C@]1(NCc2ccc(Br)cc2)CCOc2ccccc21 ZINC000409447024 499596804 /nfs/dbraw/zinc/59/68/04/499596804.db2.gz VVXXJMYTLTXKIQ-KRWDZBQOSA-N -1 3 362.223 3.301 20 0 FGADHM Cc1cc(C)cc(CS(=O)(=O)[N-]CC(=O)c2ccccc2Cl)c1 ZINC000409503451 499601844 /nfs/dbraw/zinc/60/18/44/499601844.db2.gz XWAMJZLSDKINGH-UHFFFAOYSA-N -1 3 351.855 3.259 20 0 FGADHM CSCCC(=O)Nc1n[n-]c(-c2ccc(Br)cc2F)n1 ZINC000409544565 499604907 /nfs/dbraw/zinc/60/49/07/499604907.db2.gz MBBBBNYCDAXTNB-UHFFFAOYSA-N -1 3 359.224 3.065 20 0 FGADHM Cc1nccn1-c1ccc(NC(=O)c2cn[n-]c2-c2ccsc2)cn1 ZINC000376408712 499606796 /nfs/dbraw/zinc/60/67/96/499606796.db2.gz GDZMCAZNVFAOLB-UHFFFAOYSA-N -1 3 350.407 3.280 20 0 FGADHM Cc1nccn1-c1ccc(NC(=O)c2c[n-]nc2-c2ccsc2)cn1 ZINC000376408712 499606797 /nfs/dbraw/zinc/60/67/97/499606797.db2.gz GDZMCAZNVFAOLB-UHFFFAOYSA-N -1 3 350.407 3.280 20 0 FGADHM COc1coc(C(=O)Nc2cc(Cc3ccccc3)ccc2[O-])cc1=O ZINC000409772208 499621068 /nfs/dbraw/zinc/62/10/68/499621068.db2.gz ARIYWBFLPYLGQW-UHFFFAOYSA-N -1 3 351.358 3.197 20 0 FGADHM O=S(=O)([N-][C@@H](c1ccc(Cl)cc1)[C@H]1CCOC1)c1cccs1 ZINC000376873347 499642536 /nfs/dbraw/zinc/64/25/36/499642536.db2.gz CWWDLAULLOFQAN-WFASDCNBSA-N -1 3 357.884 3.458 20 0 FGADHM CCc1nn(C)cc1NC(=O)c1n[n-]c(-c2ccccc2)c1Br ZINC000410166858 499646500 /nfs/dbraw/zinc/64/65/00/499646500.db2.gz YWYVBKPXVLPEAT-UHFFFAOYSA-N -1 3 374.242 3.387 20 0 FGADHM CCc1nn(C)cc1NC(=O)c1[n-]nc(-c2ccccc2)c1Br ZINC000410166858 499646502 /nfs/dbraw/zinc/64/65/02/499646502.db2.gz YWYVBKPXVLPEAT-UHFFFAOYSA-N -1 3 374.242 3.387 20 0 FGADHM NC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2cc(Cl)ccc2F)c1 ZINC000410359385 499657517 /nfs/dbraw/zinc/65/75/17/499657517.db2.gz LWIVDEXFIJSVRQ-UHFFFAOYSA-N -1 3 363.197 3.032 20 0 FGADHM CN1CCc2c(cccc2[N-]S(=O)(=O)c2ccc(C(F)F)cc2)C1 ZINC000377142014 499665893 /nfs/dbraw/zinc/66/58/93/499665893.db2.gz PMFZDOMOCCSQSM-UHFFFAOYSA-N -1 3 352.406 3.413 20 0 FGADHM Cc1ccc([C@@H]2C[C@@H]2C(=O)Nc2ccccc2[N-]S(C)(=O)=O)s1 ZINC000377173339 499667785 /nfs/dbraw/zinc/66/77/85/499667785.db2.gz IFAYZFSBAHXQMR-NEPJUHHUSA-N -1 3 350.465 3.170 20 0 FGADHM O=C(N=c1cc(-c2ccc3ncccc3c2)o[n-]1)c1ccc2oc(=O)[nH]c2c1 ZINC000377204352 499670469 /nfs/dbraw/zinc/67/04/69/499670469.db2.gz RNEWZWQOAOJAKU-UHFFFAOYSA-N -1 3 372.340 3.411 20 0 FGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)Cc1ccc(Cl)c(OC)c1 ZINC000410626199 499671245 /nfs/dbraw/zinc/67/12/45/499671245.db2.gz PUYFSSXQOYMWLU-UHFFFAOYSA-N -1 3 366.801 3.257 20 0 FGADHM CO[C@@H](CS(=O)(=O)[N-]c1cc(Cl)ccc1Br)C1CC1 ZINC000579353475 506154675 /nfs/dbraw/zinc/15/46/75/506154675.db2.gz CWLJSQJWIKTKDR-LBPRGKRZSA-N -1 3 368.680 3.269 20 0 FGADHM COC(=O)c1sc([N-]C(=O)c2ncoc2[C@@H]2CCCO2)nc1C(C)C ZINC000411055155 499693604 /nfs/dbraw/zinc/69/36/04/499693604.db2.gz ISIYZCXSWGNYRS-VIFPVBQESA-N -1 3 365.411 3.145 20 0 FGADHM O=C1C[C@H](c2noc(-c3n[n-]nc3-c3ccccc3)n2)CN1c1ccccc1 ZINC000377474667 499694594 /nfs/dbraw/zinc/69/45/94/499694594.db2.gz GPQSFQUOVRHDME-AWEZNQCLSA-N -1 3 372.388 3.042 20 0 FGADHM COC(=O)c1cccc([N-]C(=O)c2cnc([C@H]3CCCO3)s2)c1F ZINC000411064837 499694688 /nfs/dbraw/zinc/69/46/88/499694688.db2.gz HBBZVHWPFNPAGF-LLVKDONJSA-N -1 3 350.371 3.173 20 0 FGADHM CC(C)[C@H]1CCCC[C@@H]1NC(=O)C(=O)[N-]c1nccn1-c1ccccc1 ZINC000411210399 499711862 /nfs/dbraw/zinc/71/18/62/499711862.db2.gz PUPCKDYEBCXJLE-SJORKVTESA-N -1 3 354.454 3.142 20 0 FGADHM O=C(Nc1nnc(-c2ccco2)[n-]1)[C@H]1CCCCN1Cc1ccc(F)cc1 ZINC000411292692 499722603 /nfs/dbraw/zinc/72/26/03/499722603.db2.gz KRLVPAAXPIRLFQ-OAHLLOKOSA-N -1 3 369.400 3.197 20 0 FGADHM O=C(Nc1nc(-c2ccco2)n[n-]1)[C@H]1CCCCN1Cc1ccc(F)cc1 ZINC000411292692 499722604 /nfs/dbraw/zinc/72/26/04/499722604.db2.gz KRLVPAAXPIRLFQ-OAHLLOKOSA-N -1 3 369.400 3.197 20 0 FGADHM O=C(Nc1n[n-]c(-c2ccco2)n1)[C@H]1CCCCN1Cc1ccc(F)cc1 ZINC000411292692 499722606 /nfs/dbraw/zinc/72/26/06/499722606.db2.gz KRLVPAAXPIRLFQ-OAHLLOKOSA-N -1 3 369.400 3.197 20 0 FGADHM O=C(Nc1nnc(-c2ccccn2)[n-]1)C1(c2ccccc2)CC(F)(F)C1 ZINC000377775657 499731952 /nfs/dbraw/zinc/73/19/52/499731952.db2.gz HKUFDROPWYTRRR-UHFFFAOYSA-N -1 3 355.348 3.172 20 0 FGADHM O=C(Nc1nc(-c2ccccn2)n[n-]1)C1(c2ccccc2)CC(F)(F)C1 ZINC000377775657 499731954 /nfs/dbraw/zinc/73/19/54/499731954.db2.gz HKUFDROPWYTRRR-UHFFFAOYSA-N -1 3 355.348 3.172 20 0 FGADHM O=C(Nc1n[n-]c(-c2ccccn2)n1)C1(c2ccccc2)CC(F)(F)C1 ZINC000377775657 499731956 /nfs/dbraw/zinc/73/19/56/499731956.db2.gz HKUFDROPWYTRRR-UHFFFAOYSA-N -1 3 355.348 3.172 20 0 FGADHM COC(C)(C)CS(=O)(=O)[N-]c1cccc(CSC2CCOCC2)c1 ZINC000414375737 499782952 /nfs/dbraw/zinc/78/29/52/499782952.db2.gz SBKZHGCZSLIHLX-UHFFFAOYSA-N -1 3 373.540 3.266 20 0 FGADHM CCc1cccc(C(=O)N2CCn3c(C4CCCC4)nnc3[C@@H]2C)c1[O-] ZINC000573273414 506159120 /nfs/dbraw/zinc/15/91/20/506159120.db2.gz GASOKJFSJHOROM-ZDUSSCGKSA-N -1 3 354.454 3.421 20 0 FGADHM Cc1csc(S(=O)(=O)[N-]c2ccc(OCCN(C)C)c(C)c2)c1 ZINC000414383635 499784162 /nfs/dbraw/zinc/78/41/62/499784162.db2.gz ANOAJERVJJDYOF-UHFFFAOYSA-N -1 3 354.497 3.106 20 0 FGADHM COC(C)(C)CS(=O)(=O)[N-]c1ccc(NC(=O)c2ccco2)c(C)c1 ZINC000414383446 499784167 /nfs/dbraw/zinc/78/41/67/499784167.db2.gz RJZDNIQQCAOWEY-UHFFFAOYSA-N -1 3 366.439 3.007 20 0 FGADHM COC(=O)[C@H](C)c1cccc([N-]S(=O)(=O)c2ccc(OC)c(C)c2)c1 ZINC000414391636 499785379 /nfs/dbraw/zinc/78/53/79/499785379.db2.gz DCUIDFRBDJXSRK-CYBMUJFWSA-N -1 3 363.435 3.081 20 0 FGADHM CCc1ccc(S(=O)(=O)[N-]c2ccc(OCCN(C)C)c(F)c2)s1 ZINC000414389598 499785473 /nfs/dbraw/zinc/78/54/73/499785473.db2.gz SAMVDHJDKLMBMH-UHFFFAOYSA-N -1 3 372.487 3.191 20 0 FGADHM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(OCCN(C)C)c(F)c1 ZINC000414390249 499785629 /nfs/dbraw/zinc/78/56/29/499785629.db2.gz WHJKUNWCZWPVSQ-UHFFFAOYSA-N -1 3 370.421 3.014 20 0 FGADHM CN(C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000414394961 499786148 /nfs/dbraw/zinc/78/61/48/499786148.db2.gz CBRWMIOZKLVJCJ-CRAIPNDOSA-N -1 3 363.417 3.370 20 0 FGADHM COCCOc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2C)cc1 ZINC000414416800 499789047 /nfs/dbraw/zinc/78/90/47/499789047.db2.gz XDMHAZPJQUAEEO-UHFFFAOYSA-N -1 3 357.378 3.099 20 0 FGADHM CC(C)n1cnnc1C[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000414467702 499795725 /nfs/dbraw/zinc/79/57/25/499795725.db2.gz JAAGPCKTZQHHFW-UHFFFAOYSA-N -1 3 370.887 3.206 20 0 FGADHM Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc(OCCN(C)C)cc2F)c1 ZINC000414475490 499797268 /nfs/dbraw/zinc/79/72/68/499797268.db2.gz VASQCTVJLFHXOZ-UHFFFAOYSA-N -1 3 370.421 3.014 20 0 FGADHM Cc1ccc([C@@H](CNC(=O)NCCCCCC(=O)[O-])N2CCCC2)cc1 ZINC000414618082 499814491 /nfs/dbraw/zinc/81/44/91/499814491.db2.gz RPOGXVURUUFXHJ-GOSISDBHSA-N -1 3 361.486 3.076 20 0 FGADHM C[C@@H]1CN(Cc2ccccc2CNCc2cccc(C(=O)[O-])c2)C[C@@H](C)O1 ZINC000414634076 499815699 /nfs/dbraw/zinc/81/56/99/499815699.db2.gz ARVZNVCJLAAHFW-IAGOWNOFSA-N -1 3 368.477 3.284 20 0 FGADHM CCc1[n-][nH]c(=NC(=O)[C@H](C)CC(F)(F)F)c1-c1ccc2c(c1)OCO2 ZINC000412152713 499828394 /nfs/dbraw/zinc/82/83/94/499828394.db2.gz MCORHXRXBFSZRC-SECBINFHSA-N -1 3 369.343 3.317 20 0 FGADHM CC(=O)c1ccc(C(=O)N[C@H](C)[C@@H](c2ccccc2C)N(C)C)cc1[O-] ZINC000412327330 499844984 /nfs/dbraw/zinc/84/49/84/499844984.db2.gz CDOKXXMJESNWMW-VLIAUNLRSA-N -1 3 354.450 3.324 20 0 FGADHM CC1(C)C[C@@H]1NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000412507187 499859390 /nfs/dbraw/zinc/85/93/90/499859390.db2.gz GFJDSAXZSCTSMI-NSHDSACASA-N -1 3 369.646 3.472 20 0 FGADHM CC1(C)C[C@@H]1NC(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000412507187 499859392 /nfs/dbraw/zinc/85/93/92/499859392.db2.gz GFJDSAXZSCTSMI-NSHDSACASA-N -1 3 369.646 3.472 20 0 FGADHM CC(=O)c1ccc2c(c1)CN(C(=O)c1ccc3c(c1[O-])OC(C)(C)C3)C2 ZINC000412530746 499860771 /nfs/dbraw/zinc/86/07/71/499860771.db2.gz DISCMQOJEUQMBY-UHFFFAOYSA-N -1 3 351.402 3.464 20 0 FGADHM COc1ccc(C(=O)N2CCC[C@H](CCC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000412894212 499894081 /nfs/dbraw/zinc/89/40/81/499894081.db2.gz CLTBGSBMUJYRIK-CQSZACIVSA-N -1 3 363.454 3.375 20 0 FGADHM C[C@H](C(=O)OC(C)(C)C)C([O-])=Nc1nc(-c2ccccc2Cl)ns1 ZINC000413416865 499951351 /nfs/dbraw/zinc/95/13/51/499951351.db2.gz CJADWRFSHQSVCH-VIFPVBQESA-N -1 3 367.858 3.197 20 0 FGADHM O=C([O-])CCN(Cc1ccc(OCC(F)(F)F)cc1)C[C@H]1CCCO1 ZINC000576473332 506166835 /nfs/dbraw/zinc/16/68/35/506166835.db2.gz TZHKQRIIVJWWOG-OAHLLOKOSA-N -1 3 361.360 3.083 20 0 FGADHM O=C(NCc1ccc([O-])c(Br)c1)c1nc2c(s1)CCC2 ZINC000416173767 499968436 /nfs/dbraw/zinc/96/84/36/499968436.db2.gz DPMPQMDLUFBWFJ-UHFFFAOYSA-N -1 3 353.241 3.030 20 0 FGADHM CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1ccc(NC(=O)C(C)C)cc1 ZINC000421142991 499970543 /nfs/dbraw/zinc/97/05/43/499970543.db2.gz SJQIKXGXLDMQQL-MRXNPFEDSA-N -1 3 356.488 3.084 20 0 FGADHM CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1cccc(COCC2CC2)c1 ZINC000421149414 499972535 /nfs/dbraw/zinc/97/25/35/499972535.db2.gz FXPPDNVGUIRJGF-SFHVURJKSA-N -1 3 355.500 3.416 20 0 FGADHM CC[C@H](CS(=O)(=O)[N-]c1ccc(Oc2ccc(C)cc2)nc1)OC ZINC000421156638 499975413 /nfs/dbraw/zinc/97/54/13/499975413.db2.gz 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CC(C)c1nc(S(=O)(=O)[N-][C@@H](C)c2ncc(-c3ccccc3)o2)cn1C ZINC000416465254 500047771 /nfs/dbraw/zinc/04/77/71/500047771.db2.gz YWMQFBUELVGBJN-ZDUSSCGKSA-N -1 3 374.466 3.238 20 0 FGADHM CSC1(C[N-]S(=O)(=O)c2cc(C)c(Br)cc2F)CC1 ZINC000416477389 500049994 /nfs/dbraw/zinc/04/99/94/500049994.db2.gz SPCCRWSVXLDKJV-UHFFFAOYSA-N -1 3 368.293 3.071 20 0 FGADHM CC(C)n1ncnc1C[N-]S(=O)(=O)c1csc2ccc(Cl)cc21 ZINC000416483010 500050940 /nfs/dbraw/zinc/05/09/40/500050940.db2.gz IAKJPVBGVHEOJD-UHFFFAOYSA-N -1 3 370.887 3.206 20 0 FGADHM COC(=O)c1c(Cl)cccc1S(=O)(=O)[N-]C1CC(C(C)(C)C)C1 ZINC000416488389 500051720 /nfs/dbraw/zinc/05/17/20/500051720.db2.gz MQQYRHDKHCWLMV-UHFFFAOYSA-N -1 3 359.875 3.230 20 0 FGADHM Cc1ccc(CC[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2F)nc1 ZINC000416511132 500054792 /nfs/dbraw/zinc/05/47/92/500054792.db2.gz ZWZJPLQSLFMAFG-UHFFFAOYSA-N -1 3 362.348 3.069 20 0 FGADHM C[C@@H]1CC[C@H](C[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)O1 ZINC000416526946 500056752 /nfs/dbraw/zinc/05/67/52/500056752.db2.gz BYWZBVPTMLGVEZ-PSASIEDQSA-N -1 3 357.781 3.205 20 0 FGADHM CO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)C12CCC2 ZINC000416555877 500061582 /nfs/dbraw/zinc/06/15/82/500061582.db2.gz FMMDEYPOBQCMJI-CHWSQXEVSA-N -1 3 367.364 3.080 20 0 FGADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H]2C[C@@]2(C)C(C)C)cc1Cl ZINC000416557452 500062685 /nfs/dbraw/zinc/06/26/85/500062685.db2.gz ZJWKZNAMAAXCCQ-CABCVRRESA-N -1 3 362.854 3.150 20 0 FGADHM CN1CCC[C@H](CC[N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)C1 ZINC000416563714 500063095 /nfs/dbraw/zinc/06/30/95/500063095.db2.gz YOEPSKAFWJYCJP-SNVBAGLBSA-N -1 3 369.289 3.143 20 0 FGADHM CC(C)(C)Cc1csc([N-]C(=O)c2ccc(S(C)(=O)=O)s2)n1 ZINC000421522887 500070982 /nfs/dbraw/zinc/07/09/82/500070982.db2.gz ZTFFFFNUSQVSKV-UHFFFAOYSA-N -1 3 358.510 3.449 20 0 FGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CCC[C@@H]1C(C)(C)C ZINC000416639484 500077188 /nfs/dbraw/zinc/07/71/88/500077188.db2.gz XLCKTHYSNYIBFS-WCQYABFASA-N -1 3 357.447 3.105 20 0 FGADHM O=S(=O)([N-][C@@H]1CCC[C@@H](CO)C1)c1c(Cl)ccc2ccccc21 ZINC000416655545 500079438 /nfs/dbraw/zinc/07/94/38/500079438.db2.gz MEGVVDJCNVAZJN-TZMCWYRMSA-N -1 3 353.871 3.323 20 0 FGADHM COc1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccco2)c(Cl)c1Cl ZINC000416662851 500079899 /nfs/dbraw/zinc/07/98/99/500079899.db2.gz RMFMDFLTLYTYOF-RKDXNWHRSA-N -1 3 362.234 3.429 20 0 FGADHM COC(=O)c1cc(CN[C@@H](CC(=O)[O-])c2cccc(Cl)c2)n(C)c1C ZINC000417552787 500106485 /nfs/dbraw/zinc/10/64/85/500106485.db2.gz FFCKRCMVXDAJFW-INIZCTEOSA-N -1 3 364.829 3.079 20 0 FGADHM Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)N=c2cc(OC(F)F)n(C)[n-]2)C1 ZINC000429634231 500115237 /nfs/dbraw/zinc/11/52/37/500115237.db2.gz KGPXTDXWJCGGLN-OLZOCXBDSA-N -1 3 364.396 3.162 20 0 FGADHM Cn1[n-]c(=NC(=O)N2CCC[C@@H]2c2cccc(Cl)c2)cc1OC(F)F ZINC000429632357 500115608 /nfs/dbraw/zinc/11/56/08/500115608.db2.gz DHVHHSBYORGZQF-GFCCVEGCSA-N -1 3 370.787 3.466 20 0 FGADHM CC[C@H](CSc1ccccc1)NC(=O)N=c1cc(OC(F)F)n(C)[n-]1 ZINC000429635348 500115908 /nfs/dbraw/zinc/11/59/08/500115908.db2.gz OLEKUIQRAVYOQH-LLVKDONJSA-N -1 3 370.425 3.136 20 0 FGADHM C[C@@H]1CC[C@H](C(=O)N=c2[n-]n(CC(F)(F)F)cc2Br)C1 ZINC000421684525 500116189 /nfs/dbraw/zinc/11/61/89/500116189.db2.gz YKJCPLCKAKWJQW-SFYZADRCSA-N -1 3 354.170 3.005 20 0 FGADHM C[C@]1(C(=O)[O-])CCC[C@H]1NCc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000417583495 500117412 /nfs/dbraw/zinc/11/74/12/500117412.db2.gz WOPQMPFHYYFAGS-QAPCUYQASA-N -1 3 360.435 3.272 20 0 FGADHM C[C@@H]1CCN(C(=O)N=c2cc(OC(F)F)n(C)[n-]2)CC12CCCCC2 ZINC000429652248 500118601 /nfs/dbraw/zinc/11/86/01/500118601.db2.gz JYUQNNJEHVARTO-GFCCVEGCSA-N -1 3 356.417 3.268 20 0 FGADHM C[C@H]1CCN(C(=O)N=c2cc(OC(F)F)n(C)[n-]2)CC12CCCCC2 ZINC000429652250 500118731 /nfs/dbraw/zinc/11/87/31/500118731.db2.gz JYUQNNJEHVARTO-LBPRGKRZSA-N -1 3 356.417 3.268 20 0 FGADHM CC[C@H](CN(CC)C(=O)N=c1cc(OC(F)F)n(C)[n-]1)c1ccccc1 ZINC000429648364 500118740 /nfs/dbraw/zinc/11/87/40/500118740.db2.gz ITDVZVIFVUCNHM-CYBMUJFWSA-N -1 3 366.412 3.491 20 0 FGADHM CCOC[C@H](NCc1cc(Br)cc(C(F)(F)F)c1)C(=O)[O-] ZINC000417601057 500122175 /nfs/dbraw/zinc/12/21/75/500122175.db2.gz HOEITVOTTYKYLM-NSHDSACASA-N -1 3 370.165 3.047 20 0 FGADHM CCOC[C@H](NCc1cccc(OCc2ccccc2Cl)c1)C(=O)[O-] ZINC000417609712 500124617 /nfs/dbraw/zinc/12/46/17/500124617.db2.gz RBFWIAPTCNLWHE-SFHVURJKSA-N -1 3 363.841 3.498 20 0 FGADHM COc1cccc(CN[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)[O-])n1 ZINC000417616270 500126236 /nfs/dbraw/zinc/12/62/36/500126236.db2.gz GZMOTDCOGMMUGA-AWEZNQCLSA-N -1 3 355.221 3.183 20 0 FGADHM CO[C@@H](CNCc1cc(Br)cc(C(F)(F)F)c1)CC(=O)[O-] ZINC000417629547 500130331 /nfs/dbraw/zinc/13/03/31/500130331.db2.gz BHCWZBCGEKHUQG-LLVKDONJSA-N -1 3 370.165 3.047 20 0 FGADHM CC(C)(C)OC(=O)c1cccc(CNC[C@@H](CC(=O)[O-])C(F)(F)F)c1 ZINC000417637863 500132586 /nfs/dbraw/zinc/13/25/86/500132586.db2.gz ZLMPICDNZCFXQQ-CYBMUJFWSA-N -1 3 361.360 3.385 20 0 FGADHM O=C(N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1)C(=O)c1ccc(Cl)s1 ZINC000429810445 500148884 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/nfs/dbraw/zinc/14/79/45/501147945.db2.gz GHSWRBSHVKOICL-YQHYCNIYSA-N -1 3 371.502 3.159 20 0 FGADHM CC(=O)c1ccc(C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)cc1[O-] ZINC000436531204 501149208 /nfs/dbraw/zinc/14/92/08/501149208.db2.gz OJGBFXVACBAYFS-UHFFFAOYSA-N -1 3 366.417 3.086 20 0 FGADHM C[C@H](NC(=O)c1cc2c(cc1[O-])CCCC2)c1ccc(NC(N)=O)cc1 ZINC000436532990 501149329 /nfs/dbraw/zinc/14/93/29/501149329.db2.gz YXGYFZZWAHLRFI-LBPRGKRZSA-N -1 3 353.422 3.253 20 0 FGADHM NC(=O)C1(NC(=O)c2cc(Oc3ccccc3)ccc2[O-])CCCCC1 ZINC000436538507 501151266 /nfs/dbraw/zinc/15/12/66/501151266.db2.gz JUQXTQYEWYENHD-UHFFFAOYSA-N -1 3 354.406 3.103 20 0 FGADHM Cc1cc2[nH]c(CN3CCN(C(=O)c4ccccc4[O-])CC3)cc2c(C)c1 ZINC000436540225 501151841 /nfs/dbraw/zinc/15/18/41/501151841.db2.gz OQQAIWZWKHMLPW-UHFFFAOYSA-N -1 3 363.461 3.448 20 0 FGADHM CC[C@@H](C[N-]S(=O)(=O)c1cncc(F)c1)Oc1cccc(Cl)c1 ZINC000441544568 501153324 /nfs/dbraw/zinc/15/33/24/501153324.db2.gz PUTHSIZHEVVQBM-ZDUSSCGKSA-N -1 3 358.822 3.010 20 0 FGADHM O=C(NCCc1cccc(OCC(F)(F)F)c1)c1c([O-])cccc1O ZINC000436562121 501157749 /nfs/dbraw/zinc/15/77/49/501157749.db2.gz JTJPPBFAMQVYJM-UHFFFAOYSA-N -1 3 355.312 3.011 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC4(CCC(O)CC4)CC3)nc2)n1 ZINC000450576359 501158665 /nfs/dbraw/zinc/15/86/65/501158665.db2.gz PNGBVCLJLVFTTM-UHFFFAOYSA-N -1 3 368.481 3.328 20 0 FGADHM C[C@](O)(CNC(=O)c1cc(Cc2ccccc2)ccc1[O-])C(F)(F)F ZINC000436574849 501160482 /nfs/dbraw/zinc/16/04/82/501160482.db2.gz GXKVNCAILBYNPR-KRWDZBQOSA-N -1 3 353.340 3.026 20 0 FGADHM Cc1cccc(C(=O)NC[C@H](CO)Cc2c(F)cccc2Cl)c1[O-] ZINC000436582570 501161980 /nfs/dbraw/zinc/16/19/80/501161980.db2.gz IKLVUUVTQMJBDS-GFCCVEGCSA-N -1 3 351.805 3.074 20 0 FGADHM CC(C)c1ccc(C(=O)N[C@@H](CS(C)(=O)=O)c2ccccc2)c([O-])c1 ZINC000436580816 501162127 /nfs/dbraw/zinc/16/21/27/501162127.db2.gz XMDYTXQRXMJCLU-KRWDZBQOSA-N -1 3 361.463 3.031 20 0 FGADHM O=C(NCCCO[C@H]1CCOC1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436588833 501163852 /nfs/dbraw/zinc/16/38/52/501163852.db2.gz OEIAHKNGEBLORT-KRWDZBQOSA-N -1 3 357.406 3.110 20 0 FGADHM CCOCCOc1cc(C)ccc1CNC(=O)c1cc(OC)ccc1[O-] ZINC000436591230 501165259 /nfs/dbraw/zinc/16/52/59/501165259.db2.gz VYQQKMZNLCZDQR-UHFFFAOYSA-N -1 3 359.422 3.055 20 0 FGADHM CCOc1nc2ccc(C(=O)N3CCOC[C@@H]3c3ccccc3)cc2[n-]1 ZINC000450053327 501165467 /nfs/dbraw/zinc/16/54/67/501165467.db2.gz QLJVESSBQMAOIV-GOSISDBHSA-N -1 3 351.406 3.175 20 0 FGADHM CCOc1nc2cc(C(=O)N3CCOC[C@@H]3c3ccccc3)ccc2[n-]1 ZINC000450053327 501165470 /nfs/dbraw/zinc/16/54/70/501165470.db2.gz QLJVESSBQMAOIV-GOSISDBHSA-N -1 3 351.406 3.175 20 0 FGADHM O=C(NCCOCC(F)(F)F)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436594489 501165718 /nfs/dbraw/zinc/16/57/18/501165718.db2.gz FIBBMYUIPOTVEJ-UHFFFAOYSA-N -1 3 367.367 3.486 20 0 FGADHM Cc1c(NC(=O)c2ccc3c(c2[O-])CCCC3)cccc1N1CN=NC1=O ZINC000436595985 501165955 /nfs/dbraw/zinc/16/59/55/501165955.db2.gz OEQLTYJEAGYFJC-UHFFFAOYSA-N -1 3 364.405 3.118 20 0 FGADHM O=S(=O)(Cc1c(Cl)cccc1Cl)[N-]c1ccnc2ccncc12 ZINC000446791377 501166042 /nfs/dbraw/zinc/16/60/42/501166042.db2.gz GDYVIHZXEQGSLG-UHFFFAOYSA-N -1 3 368.245 3.300 20 0 FGADHM Cc1cccc(C(=O)NC[C@H](CO)Cc2ccc(C(F)(F)F)cc2)c1[O-] ZINC000436607175 501168660 /nfs/dbraw/zinc/16/86/60/501168660.db2.gz SKHVDANKZYZNDE-CQSZACIVSA-N -1 3 367.367 3.300 20 0 FGADHM [O-]c1ccc(-c2noc(Cn3nnc(-c4ccccc4)n3)n2)c2ccccc12 ZINC000436610718 501169455 /nfs/dbraw/zinc/16/94/55/501169455.db2.gz JVHLGRSDQDTTRO-UHFFFAOYSA-N -1 3 370.372 3.297 20 0 FGADHM Cn1ccnc1-c1csc(NC(=O)c2cc3c(cc2[O-])CCCC3)n1 ZINC000436609277 501169468 /nfs/dbraw/zinc/16/94/68/501169468.db2.gz VWGDMBOIMZLRGK-UHFFFAOYSA-N -1 3 354.435 3.380 20 0 FGADHM C[C@H]1CN(C(=O)c2cc(OCc3ccccc3)ccc2[O-])[C@@H](C)CN1C ZINC000436618623 501170695 /nfs/dbraw/zinc/17/06/95/501170695.db2.gz OFQCSKBBTWTUAP-HOTGVXAUSA-N -1 3 354.450 3.136 20 0 FGADHM C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)c1ccc(O)cc1[O-] ZINC000436629725 501173432 /nfs/dbraw/zinc/17/34/32/501173432.db2.gz KIXIWMXOTHCANO-VIFPVBQESA-N -1 3 368.202 3.360 20 0 FGADHM CCCOc1ccc(CNC(=O)c2ccc(O)cc2[O-])c(OC(F)F)c1 ZINC000436630317 501174130 /nfs/dbraw/zinc/17/41/30/501174130.db2.gz MKZQZFAAPJBSLK-UHFFFAOYSA-N -1 3 367.348 3.418 20 0 FGADHM Cc1ccc(CNC(=O)Cc2ccc([O-])c(F)c2)c(OC[C@H]2CCOC2)c1 ZINC000450080889 501175022 /nfs/dbraw/zinc/17/50/22/501175022.db2.gz HJTSAXSJGMHEEC-INIZCTEOSA-N -1 3 373.424 3.114 20 0 FGADHM CCOc1cc(CCCNC(=O)c2ccc([O-])c(OC)c2)ccc1OC ZINC000436637714 501175671 /nfs/dbraw/zinc/17/56/71/501175671.db2.gz ANRXFHPNJCTDCQ-UHFFFAOYSA-N -1 3 359.422 3.171 20 0 FGADHM COc1cccc(CNC(=O)c2c([O-])cccc2O)c1OC1CCCC1 ZINC000436648612 501178923 /nfs/dbraw/zinc/17/89/23/501178923.db2.gz OTVYYCFLQKQYAK-UHFFFAOYSA-N -1 3 357.406 3.358 20 0 FGADHM CCC[C@H](NC(=O)c1ccc(C)cc1[O-])C(=O)N1CCc2sccc2C1 ZINC000436653899 501179820 /nfs/dbraw/zinc/17/98/20/501179820.db2.gz GTJSJDCNNYTSFM-INIZCTEOSA-N -1 3 372.490 3.246 20 0 FGADHM CC(=O)c1ccc(C(=O)NCc2nc(-c3cccc(Cl)c3)no2)cc1[O-] ZINC000436651210 501180044 /nfs/dbraw/zinc/18/00/44/501180044.db2.gz UIZJFEPITBLLSJ-UHFFFAOYSA-N -1 3 371.780 3.228 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N(C)C[C@H](C)c2ccccc2)c([O-])c1 ZINC000436663938 501182639 /nfs/dbraw/zinc/18/26/39/501182639.db2.gz KCNGQVZSORUMQN-INIZCTEOSA-N -1 3 354.450 3.083 20 0 FGADHM CCN(Cc1ccccc1C)C(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC000436668892 501183451 /nfs/dbraw/zinc/18/34/51/501183451.db2.gz ZWWYREQFHNIHES-UHFFFAOYSA-N -1 3 354.450 3.178 20 0 FGADHM COCCOc1ccc(CNC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)cc1 ZINC000436683608 501188067 /nfs/dbraw/zinc/18/80/67/501188067.db2.gz VNDMOTGMFRXWMR-UHFFFAOYSA-N -1 3 371.433 3.061 20 0 FGADHM COc1ccc(-c2noc(-c3cc(OC)c([O-])c(OC)c3)n2)cc1OC ZINC000436691670 501189519 /nfs/dbraw/zinc/18/95/19/501189519.db2.gz UFTJRROXHUFVIO-UHFFFAOYSA-N -1 3 358.350 3.144 20 0 FGADHM CCSCc1cccc(NC(=O)C(=O)NCc2ccc([O-])c(F)c2)c1 ZINC000441999469 501190413 /nfs/dbraw/zinc/19/04/13/501190413.db2.gz LGBMXGVJKSLFPX-UHFFFAOYSA-N -1 3 362.426 3.039 20 0 FGADHM Cc1ccc([O-])c(C(=O)N[C@H]2CCCN([C@H](C)c3ccc(F)cc3)C2=O)c1 ZINC000436699094 501191812 /nfs/dbraw/zinc/19/18/12/501191812.db2.gz QCRILORIDXQZPY-KDOFPFPSSA-N -1 3 370.424 3.322 20 0 FGADHM Cc1ccc(-c2nnc(NC(=O)C3CCC(OC[C@@H]4CCCO4)CC3)[n-]2)o1 ZINC000450139598 501191859 /nfs/dbraw/zinc/19/18/59/501191859.db2.gz KNINYORWCRFUOL-NRXISQOPSA-N -1 3 374.441 3.066 20 0 FGADHM Cc1ccc(-c2n[n-]c(NC(=O)C3CCC(OC[C@@H]4CCCO4)CC3)n2)o1 ZINC000450139598 501191861 /nfs/dbraw/zinc/19/18/61/501191861.db2.gz KNINYORWCRFUOL-NRXISQOPSA-N -1 3 374.441 3.066 20 0 FGADHM Cc1ccc(-c2nc(NC(=O)C3CCC(OC[C@@H]4CCCO4)CC3)n[n-]2)o1 ZINC000450139598 501191863 /nfs/dbraw/zinc/19/18/63/501191863.db2.gz KNINYORWCRFUOL-NRXISQOPSA-N -1 3 374.441 3.066 20 0 FGADHM COc1ccc(C)cc1C1(CNC(=O)c2cccc(C)c2[O-])CCOCC1 ZINC000436704674 501192600 /nfs/dbraw/zinc/19/26/00/501192600.db2.gz HXYXVSBSDFXDMG-UHFFFAOYSA-N -1 3 369.461 3.496 20 0 FGADHM O=C(N[C@H](CO)CC(F)(F)F)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436707594 501193062 /nfs/dbraw/zinc/19/30/62/501193062.db2.gz XVSBMTKYFLFHQL-HNNXBMFYSA-N -1 3 367.367 3.221 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N2CCC[C@@H]2c2cccs2)c([O-])c1 ZINC000436707141 501193305 /nfs/dbraw/zinc/19/33/05/501193305.db2.gz NUWFCBXOLYJGSD-OAHLLOKOSA-N -1 3 358.463 3.246 20 0 FGADHM CN(C)CCN(Cc1ccccc1F)C(=O)c1ccc(Cl)cc1[O-] ZINC000436717519 501195222 /nfs/dbraw/zinc/19/52/22/501195222.db2.gz GUDAIPURZCCJOH-UHFFFAOYSA-N -1 3 350.821 3.389 20 0 FGADHM C[C@@H]1CC[C@@H]1NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436715253 501195522 /nfs/dbraw/zinc/19/55/22/501195522.db2.gz XAHOUBYRAURHCK-MDASCCDHSA-N -1 3 352.434 3.168 20 0 FGADHM CC(C)Oc1ccc([C@@H](CNC(=O)c2c([O-])cccc2F)N(C)C)cc1 ZINC000436725346 501198179 /nfs/dbraw/zinc/19/81/79/501198179.db2.gz QISUUTQUKYNCDW-QGZVFWFLSA-N -1 3 360.429 3.351 20 0 FGADHM CCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1ccc(C(C)C)cc1[O-] ZINC000436740132 501201283 /nfs/dbraw/zinc/20/12/83/501201283.db2.gz XYVQTKIYMSNBLS-UHFFFAOYSA-N -1 3 372.440 3.433 20 0 FGADHM CC[C@H](C)c1nc([C@H](C)NC(=O)c2ccc(Br)cc2[O-])n[nH]1 ZINC000436742930 501202345 /nfs/dbraw/zinc/20/23/45/501202345.db2.gz YTPGNQFSLOVPCW-IUCAKERBSA-N -1 3 367.247 3.277 20 0 FGADHM COc1ccc(C(=O)NC[C@@H](c2ccc(OC(C)C)cc2)N(C)C)c([O-])c1 ZINC000436744611 501203257 /nfs/dbraw/zinc/20/32/57/501203257.db2.gz NUAGVUVCBNVWAP-IBGZPJMESA-N -1 3 372.465 3.221 20 0 FGADHM CSc1ccc(C)c(NC(=O)CCNC(=O)c2ccc(C)cc2[O-])c1 ZINC000436744225 501203388 /nfs/dbraw/zinc/20/33/88/501203388.db2.gz KPAQSKYETPNVOV-UHFFFAOYSA-N -1 3 358.463 3.490 20 0 FGADHM CN(C)[C@@H](CNC(=O)c1ccc(Br)cc1[O-])c1cccs1 ZINC000436755028 501204711 /nfs/dbraw/zinc/20/47/11/501204711.db2.gz KVCTWVYLRZXHBV-LBPRGKRZSA-N -1 3 369.284 3.249 20 0 FGADHM COc1ccc(C(=O)N2CCC[C@@H]2c2ccc(OC)c(OC)c2)c([O-])c1 ZINC000436755568 501205344 /nfs/dbraw/zinc/20/53/44/501205344.db2.gz NTNRBCVTJLKIIS-MRXNPFEDSA-N -1 3 357.406 3.395 20 0 FGADHM COc1ccc([C@H](CNC(=O)c2ccc(F)cc2[O-])N2CCCC2)cc1 ZINC000436756588 501205755 /nfs/dbraw/zinc/20/57/55/501205755.db2.gz RUNQBYUXCDGZKI-SFHVURJKSA-N -1 3 358.413 3.107 20 0 FGADHM CCN(CC)C(=O)COc1cccc(NC(=O)c2ccc(C)cc2[O-])c1 ZINC000436761334 501206753 /nfs/dbraw/zinc/20/67/53/501206753.db2.gz YBNRMECSJYMBPH-UHFFFAOYSA-N -1 3 356.422 3.200 20 0 FGADHM C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1cc(Br)cc(Cl)c1[O-] ZINC000436768781 501208527 /nfs/dbraw/zinc/20/85/27/501208527.db2.gz GOHGCGOHVUIOLO-ISVAXAHUSA-N -1 3 373.678 3.021 20 0 FGADHM O=C(NCCc1nc(-c2ccc([O-])cc2)no1)C12CC3CC(CC(C3)C1)C2 ZINC000436770325 501208916 /nfs/dbraw/zinc/20/89/16/501208916.db2.gz QNWAMSJOWZPCHH-UHFFFAOYSA-N -1 3 367.449 3.317 20 0 FGADHM O=C1[N-][C@](c2ccccc2)(C(F)(F)F)C(=O)N1C[C@H]1CCC(F)(F)C1 ZINC000450818514 501213307 /nfs/dbraw/zinc/21/33/07/501213307.db2.gz IBUMGOSWGCKDFC-BONVTDFDSA-N -1 3 362.298 3.431 20 0 FGADHM COC(=O)c1cc(C)nc2nc(SCCCCCC(C)=O)[n-]c(=O)c12 ZINC000450825875 501214173 /nfs/dbraw/zinc/21/41/73/501214173.db2.gz ZCIZPSRSBJZDEK-UHFFFAOYSA-N -1 3 363.439 3.067 20 0 FGADHM C[C@@H]1CN(CCCCNC(=O)c2ccc(C(F)(F)F)cc2[O-])C[C@@H](C)O1 ZINC000436810771 501214931 /nfs/dbraw/zinc/21/49/31/501214931.db2.gz YCQKWMDFWZZULV-CHWSQXEVSA-N -1 3 374.403 3.030 20 0 FGADHM C[C@@H]1CN(CCCCNC(=O)c2ccc(C(F)(F)F)cc2[O-])C[C@H](C)O1 ZINC000436810770 501214953 /nfs/dbraw/zinc/21/49/53/501214953.db2.gz YCQKWMDFWZZULV-BETUJISGSA-N -1 3 374.403 3.030 20 0 FGADHM CCc1ccc(C(=O)N[C@@H](c2nccn2C)c2ccccc2F)c([O-])c1 ZINC000436812829 501215482 /nfs/dbraw/zinc/21/54/82/501215482.db2.gz NNTZPPNYJPAYDD-GOSISDBHSA-N -1 3 353.397 3.347 20 0 FGADHM O=C(N[C@H]1CCN(c2cccc(Br)c2)C1)c1ccccc1[O-] ZINC000436817948 501215690 /nfs/dbraw/zinc/21/56/90/501215690.db2.gz YZORPBWVRYAVTM-ZDUSSCGKSA-N -1 3 361.239 3.163 20 0 FGADHM COCCN(C(=O)c1cc(Oc2ccccc2)ccc1[O-])[C@@H]1CCO[C@@H]1C ZINC000436819140 501216392 /nfs/dbraw/zinc/21/63/92/501216392.db2.gz CQMNSGYWLZAVNY-DNVCBOLYSA-N -1 3 371.433 3.451 20 0 FGADHM COc1ccc(C(=O)NCc2cc(F)cc(Br)c2)c([O-])c1 ZINC000436825462 501217523 /nfs/dbraw/zinc/21/75/23/501217523.db2.gz KTRLWNKMSNGRAJ-UHFFFAOYSA-N -1 3 354.175 3.232 20 0 FGADHM COc1cc(C)cc(C(=O)Nc2nc3c(s2)CN(C(C)C)CC3)c1[O-] ZINC000436829769 501218067 /nfs/dbraw/zinc/21/80/67/501218067.db2.gz TVZFLTJEJIUYRS-UHFFFAOYSA-N -1 3 361.467 3.185 20 0 FGADHM O=C(c1ccccc1[O-])N1CCN([C@H]2CCc3ccc(Cl)cc32)CC1 ZINC000436831745 501218408 /nfs/dbraw/zinc/21/84/08/501218408.db2.gz GFJMNBUFPDMPMD-SFHVURJKSA-N -1 3 356.853 3.491 20 0 FGADHM CCOC(=O)[C@H]1CN(C(=O)c2ccc(CC)cc2[O-])Cc2ccccc21 ZINC000436834010 501218645 /nfs/dbraw/zinc/21/86/45/501218645.db2.gz LEMDKTHOQLGMAK-SFHVURJKSA-N -1 3 353.418 3.257 20 0 FGADHM CCc1ccc(C(=O)N[C@H](CO)c2cccc(Br)c2)c([O-])c1 ZINC000436839602 501219632 /nfs/dbraw/zinc/21/96/32/501219632.db2.gz OIKCPXNGVZQEKD-OAHLLOKOSA-N -1 3 364.239 3.181 20 0 FGADHM CCc1cc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])ccc1F ZINC000436845707 501220496 /nfs/dbraw/zinc/22/04/96/501220496.db2.gz UHFFFVLUCZYIOA-QGZVFWFLSA-N -1 3 356.397 3.337 20 0 FGADHM CCc1ccc([C@H](CNC(=O)C(=O)c2ccc([O-])cc2)N(CC)CC)cc1 ZINC000436864899 501223508 /nfs/dbraw/zinc/22/35/08/501223508.db2.gz OWVZBHQABFWMSW-FQEVSTJZSA-N -1 3 368.477 3.337 20 0 FGADHM CN(C)Cc1cc(C(=O)Nc2cc(Cc3ccccc3)ccc2[O-])no1 ZINC000436869995 501224480 /nfs/dbraw/zinc/22/44/80/501224480.db2.gz MJMXZAPPQXMTDN-UHFFFAOYSA-N -1 3 351.406 3.285 20 0 FGADHM CCOC(=O)c1csc(=NC[C@@H]2CCCN(Cc3cccs3)C2)[n-]1 ZINC000450294297 501227150 /nfs/dbraw/zinc/22/71/50/501227150.db2.gz ZZZCWESXVMFOSX-ZDUSSCGKSA-N -1 3 365.524 3.127 20 0 FGADHM COc1cccc([C@@H]2[C@@H](NC(=O)c3cc(F)ccc3[O-])CCN2C2CC2)c1 ZINC000436884926 501227344 /nfs/dbraw/zinc/22/73/44/501227344.db2.gz BJCLCJAKRRUBQH-AZUAARDMSA-N -1 3 370.424 3.248 20 0 FGADHM COc1cccc([C@H]2[C@H](NC(=O)c3ccccc3[O-])CCN2C2CC2)c1 ZINC000436887844 501227864 /nfs/dbraw/zinc/22/78/64/501227864.db2.gz LEGKKEZRXLCUTB-QUCCMNQESA-N -1 3 352.434 3.109 20 0 FGADHM O=C(c1ccccc1[O-])N1CCN(C/C=C\c2ccc(F)c(F)c2)CC1 ZINC000436888608 501228055 /nfs/dbraw/zinc/22/80/55/501228055.db2.gz UTFOSRPQBVOTNR-ARJAWSKDSA-N -1 3 358.388 3.142 20 0 FGADHM Cc1ccc(-c2nc(-c3cccc(S(=O)(=O)NC(C)C)c3)no2)c([O-])c1 ZINC000436900575 501229630 /nfs/dbraw/zinc/22/96/30/501229630.db2.gz CRXJVRQXLAXMDF-UHFFFAOYSA-N -1 3 373.434 3.104 20 0 FGADHM COc1ccc(C(=O)N[C@H](C)c2ccc(-n3cccn3)c(F)c2)c([O-])c1 ZINC000436906326 501230802 /nfs/dbraw/zinc/23/08/02/501230802.db2.gz JJDZWCLJNSTDGU-GFCCVEGCSA-N -1 3 355.369 3.217 20 0 FGADHM O=C(Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1)c1cccc(F)c1F ZINC000436916189 501232183 /nfs/dbraw/zinc/23/21/83/501232183.db2.gz SEONACDKFUIHOY-UHFFFAOYSA-N -1 3 350.712 3.361 20 0 FGADHM CO[C@H](CS(=O)(=O)[N-]c1cccc(NC(C)=O)c1C)c1ccccc1 ZINC000450978104 501236369 /nfs/dbraw/zinc/23/63/69/501236369.db2.gz XDRFHCBBGYIDOH-GOSISDBHSA-N -1 3 362.451 3.083 20 0 FGADHM CCC(=O)Nc1ccc([N-]S(=O)(=O)C[C@@H](OC)c2ccccc2)cc1 ZINC000450979677 501236639 /nfs/dbraw/zinc/23/66/39/501236639.db2.gz BAHQIGMFXXNMDW-QGZVFWFLSA-N -1 3 362.451 3.165 20 0 FGADHM CCCc1c([N-]S(=O)(=O)CCCCF)cnn1-c1cccc(F)c1 ZINC000451044230 501241450 /nfs/dbraw/zinc/24/14/50/501241450.db2.gz ZCEHXTSZSRVQDB-UHFFFAOYSA-N -1 3 357.426 3.455 20 0 FGADHM CCOC(=O)c1ccc(CS(=O)(=O)[N-]c2cncc(Cl)c2C)cc1 ZINC000451069105 501243197 /nfs/dbraw/zinc/24/31/97/501243197.db2.gz RXMTUMHEOROREI-UHFFFAOYSA-N -1 3 368.842 3.162 20 0 FGADHM Cc1c(S(=O)(=O)[N-][C@@H](C)C(C)(F)F)cnn1-c1ccc(Cl)cc1 ZINC000451075124 501243606 /nfs/dbraw/zinc/24/36/06/501243606.db2.gz ZZUMLTBJRCNWIB-JTQLQIEISA-N -1 3 363.817 3.156 20 0 FGADHM CCOc1ccncc1S(=O)(=O)[N-][C@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000451227804 501253538 /nfs/dbraw/zinc/25/35/38/501253538.db2.gz GOWYYLZYYFZOTH-GWCFXTLKSA-N -1 3 370.833 3.107 20 0 FGADHM CCOc1nc2cc(C(=O)N3CCc4cccc(OC)c4CC3)ccc2[n-]1 ZINC000451261957 501256039 /nfs/dbraw/zinc/25/60/39/501256039.db2.gz WZALIXLPCZVBKV-UHFFFAOYSA-N -1 3 365.433 3.211 20 0 FGADHM CCOc1nc2ccc(C(=O)N3CCc4cccc(OC)c4CC3)cc2[n-]1 ZINC000451261957 501256040 /nfs/dbraw/zinc/25/60/40/501256040.db2.gz WZALIXLPCZVBKV-UHFFFAOYSA-N -1 3 365.433 3.211 20 0 FGADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)[C@H](CC)CC(C)C)c2)[n-]1 ZINC000451282599 501257339 /nfs/dbraw/zinc/25/73/39/501257339.db2.gz CLZIUDXDQLFZDX-OAHLLOKOSA-N -1 3 372.469 3.337 20 0 FGADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)[C@H](CC)CC(C)C)c2)n[n-]1 ZINC000451282599 501257340 /nfs/dbraw/zinc/25/73/40/501257340.db2.gz CLZIUDXDQLFZDX-OAHLLOKOSA-N -1 3 372.469 3.337 20 0 FGADHM Cc1ccsc1[C@@H](CO)[N-]S(=O)(=O)Cc1c(F)cccc1Cl ZINC000451285773 501257459 /nfs/dbraw/zinc/25/74/59/501257459.db2.gz MNTJWKPFFIIEIV-CYBMUJFWSA-N -1 3 363.863 3.002 20 0 FGADHM Cc1csc(S(=O)(=O)[N-][C@@H](C)c2nc(Cc3ccccc3)no2)c1 ZINC000451293149 501258022 /nfs/dbraw/zinc/25/80/22/501258022.db2.gz VHGXEZSKDBUCDF-LBPRGKRZSA-N -1 3 363.464 3.070 20 0 FGADHM Cc1csc(S(=O)(=O)[N-][C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)c1 ZINC000451293553 501258528 /nfs/dbraw/zinc/25/85/28/501258528.db2.gz WCUQMEFXXCVVOQ-NVXWUHKLSA-N -1 3 364.536 3.388 20 0 FGADHM CO[C@H](C)c1nc(C[N-]S(=O)(=O)c2sccc2Cl)cs1 ZINC000451308972 501261733 /nfs/dbraw/zinc/26/17/33/501261733.db2.gz WHGZMWSSDZMRAS-SSDOTTSWSA-N -1 3 352.890 3.044 20 0 FGADHM C[C@H](C(=O)Nc1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1F)C1CCC1 ZINC000457597318 501265844 /nfs/dbraw/zinc/26/58/44/501265844.db2.gz LPLFVHZSHJMWNP-VIFPVBQESA-N -1 3 374.865 3.295 20 0 FGADHM CCOC(=O)[C@@H]1CC[C@H](NC(=O)CCc2ccc3ccccc3c2[O-])C1 ZINC000451414756 501287502 /nfs/dbraw/zinc/28/75/02/501287502.db2.gz UIEZLOSVRLTBAP-SJORKVTESA-N -1 3 355.434 3.326 20 0 FGADHM CC(C)(C)OC(=O)[C@@]12CCC[C@H]1CN(C(=O)Cc1ccc([O-])c(F)c1)C2 ZINC000451428784 501291409 /nfs/dbraw/zinc/29/14/09/501291409.db2.gz FPYPRPNLHSPYSB-VBKZILBWSA-N -1 3 363.429 3.044 20 0 FGADHM CCOc1nc2cc(C(=O)N(C)Cc3cnc(C(C)C)nc3)ccc2[n-]1 ZINC000451450571 501295292 /nfs/dbraw/zinc/29/52/92/501295292.db2.gz IYRAZYKCYDMYAV-UHFFFAOYSA-N -1 3 353.426 3.147 20 0 FGADHM CCOc1nc2ccc(C(=O)N(C)Cc3cnc(C(C)C)nc3)cc2[n-]1 ZINC000451450571 501295295 /nfs/dbraw/zinc/29/52/95/501295295.db2.gz IYRAZYKCYDMYAV-UHFFFAOYSA-N -1 3 353.426 3.147 20 0 FGADHM COCCO[C@H]1CCCN(C(=O)CCc2ccc3ccccc3c2[O-])C1 ZINC000451499730 501307135 /nfs/dbraw/zinc/30/71/35/501307135.db2.gz OFSRBLGNWKIWGA-SFHVURJKSA-N -1 3 357.450 3.132 20 0 FGADHM O=S(=O)(C[C@H]1CCCCC1(F)F)[N-]Cc1c(F)cc(F)cc1F ZINC000451603311 501334780 /nfs/dbraw/zinc/33/47/80/501334780.db2.gz JLGTTZZRTCOLEO-SECBINFHSA-N -1 3 357.344 3.349 20 0 FGADHM CC(C)Oc1ccc([C@@H](CNC(=O)Cc2ccc([O-])c(F)c2)N(C)C)cc1 ZINC000451773313 501369529 /nfs/dbraw/zinc/36/95/29/501369529.db2.gz XMJXLCCEZORREA-LJQANCHMSA-N -1 3 374.456 3.280 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)c1cc(F)ccc1OCCOC)C1CCCC1 ZINC000451996524 501414951 /nfs/dbraw/zinc/41/49/51/501414951.db2.gz QGEPQOWUAHEVQA-HNNXBMFYSA-N -1 3 359.463 3.098 20 0 FGADHM CCOC(=O)c1ccsc1[N-]C(=O)C(=O)N1C[C@H](C(C)C)[C@H]1C(C)C ZINC000453962533 501433776 /nfs/dbraw/zinc/43/37/76/501433776.db2.gz WIZJKDRAABCRAX-ZIAGYGMSSA-N -1 3 366.483 3.002 20 0 FGADHM CC1(C)Cc2ccc(C(=O)N3CCCC[C@@H]3[C@H]3CCC[C@H]3O)c([O-])c2O1 ZINC000456097007 501453961 /nfs/dbraw/zinc/45/39/61/501453961.db2.gz IMRVQSRKGMIBGZ-DJIMGWMZSA-N -1 3 359.466 3.261 20 0 FGADHM CC1(F)CC(NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000452272892 501470126 /nfs/dbraw/zinc/47/01/26/501470126.db2.gz BBIQLFLFPGMBRU-NCYVPVAZSA-N -1 3 370.424 3.260 20 0 FGADHM CCOC[C@H]1CCCCN1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000458560082 501474820 /nfs/dbraw/zinc/47/48/20/501474820.db2.gz VZXAZNJMKMYNQH-CYBMUJFWSA-N -1 3 371.275 3.255 20 0 FGADHM CCc1noc(C)c1C[N-]S(=O)(=O)c1cc(C)cc(Br)c1 ZINC000582494037 506255758 /nfs/dbraw/zinc/25/57/58/506255758.db2.gz MIXPCLVCLJOSBS-UHFFFAOYSA-N -1 3 373.272 3.095 20 0 FGADHM Cc1nc(-c2ccc(NC(=O)NC[C@]3(O)CCCC3(C)C)cc2)cc(=O)[n-]1 ZINC000454254427 501492893 /nfs/dbraw/zinc/49/28/93/501492893.db2.gz LVTKKKHATYUWIJ-HXUWFJFHSA-N -1 3 370.453 3.220 20 0 FGADHM CN(C)C(=O)Nc1cccc(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)c1 ZINC000456337021 501502260 /nfs/dbraw/zinc/50/22/60/501502260.db2.gz ZGYKXRSUZVEBAC-UHFFFAOYSA-N -1 3 369.421 3.452 20 0 FGADHM Cc1nc(-c2ccc(NC(=O)NCCC[C@H]3CCOC3)cc2)cc(=O)[n-]1 ZINC000454321494 501513282 /nfs/dbraw/zinc/51/32/82/501513282.db2.gz FVUXCYXYCPKRLR-AWEZNQCLSA-N -1 3 356.426 3.096 20 0 FGADHM CC[C@@H](C)n1c2ccc(NC(=O)c3cnn[n-]3)cc2nc1C(F)(F)F ZINC000452576968 501526224 /nfs/dbraw/zinc/52/62/24/501526224.db2.gz LSLOOZKYCZYWKO-MRVPVSSYSA-N -1 3 352.320 3.397 20 0 FGADHM CC[C@@H](C)n1c2ccc(NC(=O)c3c[n-]nn3)cc2nc1C(F)(F)F ZINC000452576968 501526228 /nfs/dbraw/zinc/52/62/28/501526228.db2.gz LSLOOZKYCZYWKO-MRVPVSSYSA-N -1 3 352.320 3.397 20 0 FGADHM CC[C@@H](C)n1c2ccc(NC(=O)c3cn[n-]n3)cc2nc1C(F)(F)F ZINC000452576968 501526231 /nfs/dbraw/zinc/52/62/31/501526231.db2.gz LSLOOZKYCZYWKO-MRVPVSSYSA-N -1 3 352.320 3.397 20 0 FGADHM C[C@H](O)CN(CC(F)F)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000456590567 501553375 /nfs/dbraw/zinc/55/33/75/501553375.db2.gz OVZAQXIVACOWBV-LBPRGKRZSA-N -1 3 351.349 3.273 20 0 FGADHM CCc1cc(C(=O)Nc2ccc3c(c2)nc(C)n3[C@@H](C)CO)ccc1[O-] ZINC000456694971 501579265 /nfs/dbraw/zinc/57/92/65/501579265.db2.gz IKUIWSDWZUCFAS-LBPRGKRZSA-N -1 3 353.422 3.418 20 0 FGADHM O=C(Cc1ccc(Br)cc1[O-])N1CCC[C@]2(CCSC2)C1 ZINC000456823636 501605428 /nfs/dbraw/zinc/60/54/28/501605428.db2.gz JDGMOSDLXOERMM-INIZCTEOSA-N -1 3 370.312 3.443 20 0 FGADHM COC(=O)[C@H]1CN(C(=O)c2cc([O-])ccc2Cl)C[C@@H]1c1ccccc1 ZINC000456948081 501624500 /nfs/dbraw/zinc/62/45/00/501624500.db2.gz MNGHEINLDWQPJK-CVEARBPZSA-N -1 3 359.809 3.074 20 0 FGADHM COC(=O)[C@@H]1CN(C(=O)c2cc([O-])ccc2Cl)C[C@@H]1c1ccccc1 ZINC000456948089 501624508 /nfs/dbraw/zinc/62/45/08/501624508.db2.gz MNGHEINLDWQPJK-HZPDHXFCSA-N -1 3 359.809 3.074 20 0 FGADHM COc1ccc([C@@H]2CCCN2Cc2cc(=O)[n-]c(C3CC3)n2)c(OC)c1 ZINC000459288079 501625750 /nfs/dbraw/zinc/62/57/50/501625750.db2.gz FUBJVVYFRHGXEX-KRWDZBQOSA-N -1 3 355.438 3.414 20 0 FGADHM [O-]c1cccc(CN2CCN(c3ccccc3O)CC2)c1Br ZINC000459298534 501626856 /nfs/dbraw/zinc/62/68/56/501626856.db2.gz OZSYBIAPCOYROL-UHFFFAOYSA-N -1 3 363.255 3.183 20 0 FGADHM CC[S@](=O)[C@H]1CCC[C@H](NCc2cccc([O-])c2Br)C1 ZINC000459425069 501651949 /nfs/dbraw/zinc/65/19/49/501651949.db2.gz LMRCJJYXFZIMLS-QAJFTPDKSA-N -1 3 360.317 3.324 20 0 FGADHM COCCN(Cc1scnc1C)Cc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000459433602 501652943 /nfs/dbraw/zinc/65/29/43/501652943.db2.gz SWTIKRKALBPLBO-UHFFFAOYSA-N -1 3 370.478 3.263 20 0 FGADHM CCOc1cc(CNc2cccnc2OCCOC)cc(Cl)c1[O-] ZINC000459450079 501656159 /nfs/dbraw/zinc/65/61/59/501656159.db2.gz ODDUGGBDQBGDJJ-UHFFFAOYSA-N -1 3 352.818 3.477 20 0 FGADHM CN(C(=O)N=c1cc(OC(F)F)n(C)[n-]1)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000459504477 501665568 /nfs/dbraw/zinc/66/55/68/501665568.db2.gz ISCVMTJEWZLMMM-KGLIPLIRSA-N -1 3 364.396 3.243 20 0 FGADHM CCOc1cc(CN2C[C@H](CC)O[C@]3(CCOC3)C2)cc(Cl)c1[O-] ZINC000459527643 501670145 /nfs/dbraw/zinc/67/01/45/501670145.db2.gz NHJNRKVVQAJFNK-KBXCAEBGSA-N -1 3 355.862 3.214 20 0 FGADHM CNC(=O)CC[C@H]1CCCCN1Cc1cccc([O-])c1Br ZINC000459553003 501675710 /nfs/dbraw/zinc/67/57/10/501675710.db2.gz XFOLMRSYLCELBQ-CYBMUJFWSA-N -1 3 355.276 3.035 20 0 FGADHM CCOc1cc(CN2CCOCC(F)(F)C2)cc(Br)c1[O-] ZINC000459570282 501678730 /nfs/dbraw/zinc/67/87/30/501678730.db2.gz NZNXTCMTDXSSKT-UHFFFAOYSA-N -1 3 366.202 3.021 20 0 FGADHM CO[C@@H](C(=O)N=c1cc(-c2cc(C)cc(C)c2)[n-][nH]1)c1ccc(O)cc1 ZINC000463452624 501727970 /nfs/dbraw/zinc/72/79/70/501727970.db2.gz CRRGKLVIJVYDPU-LJQANCHMSA-N -1 3 351.406 3.147 20 0 FGADHM COC(=O)c1c(F)ccc([N-]C(=O)c2noc3c2C[C@@H](C)CC3)c1F ZINC000485172046 501747115 /nfs/dbraw/zinc/74/71/15/501747115.db2.gz RSXOPTUYZDVZMW-QMMMGPOBSA-N -1 3 350.321 3.117 20 0 FGADHM CSCc1cccnc1C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000463575348 501765223 /nfs/dbraw/zinc/76/52/23/501765223.db2.gz QVAIFZCPZLILHU-UHFFFAOYSA-N -1 3 366.446 3.256 20 0 FGADHM CC(C)CCc1ccc(S(=O)(=O)[N-]c2ccc(C(N)=O)cc2F)cc1 ZINC000467301844 501765491 /nfs/dbraw/zinc/76/54/91/501765491.db2.gz BJJDBOOZGUEZHR-UHFFFAOYSA-N -1 3 364.442 3.314 20 0 FGADHM COc1ccc([O-])c(C(=O)N[C@H](C)c2ccc(Br)cn2)c1 ZINC000477764053 501781184 /nfs/dbraw/zinc/78/11/84/501781184.db2.gz KCZGIMMENNVNRG-SECBINFHSA-N -1 3 351.200 3.049 20 0 FGADHM Cc1cc(C(=O)N(C)C[C@H](C)Oc2ccc(Cl)c(Cl)c2)[n-]c(=O)n1 ZINC000470722431 501782343 /nfs/dbraw/zinc/78/23/43/501782343.db2.gz IFVOAPIADWQYIL-JTQLQIEISA-N -1 3 370.236 3.337 20 0 FGADHM CC[C@@H](Cc1ccccc1Br)NC(=O)c1ccc2n[n-]nc2c1 ZINC000470757963 501792798 /nfs/dbraw/zinc/79/27/98/501792798.db2.gz WHIGCEJKGMNJOM-ZDUSSCGKSA-N -1 3 373.254 3.472 20 0 FGADHM O=S(=O)([N-][C@H]1C[C@H](c2ccc(Cl)cc2)C1)c1cn2c(n1)CCCC2 ZINC000481498340 501793114 /nfs/dbraw/zinc/79/31/14/501793114.db2.gz KDHQVZMVBNBHQK-CTYIDZIISA-N -1 3 365.886 3.097 20 0 FGADHM COC(=O)c1cc(Cl)ccc1[N-]C(=O)c1cc(-c2ccccn2)no1 ZINC000474352904 501803117 /nfs/dbraw/zinc/80/31/17/501803117.db2.gz JBADZAMKYADAOV-UHFFFAOYSA-N -1 3 357.753 3.429 20 0 FGADHM Cc1cc(=NC(=O)N(C)[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)[n-]nc1C ZINC000467474629 501803141 /nfs/dbraw/zinc/80/31/41/501803141.db2.gz VTRSKVSDNQDONJ-APWZRJJASA-N -1 3 367.497 3.032 20 0 FGADHM CCOC(=O)c1ccc(NC(=O)c2cc(CSCC)on2)c([O-])c1 ZINC000474370799 501809534 /nfs/dbraw/zinc/80/95/34/501809534.db2.gz NIWKVDRWYIFSTG-UHFFFAOYSA-N -1 3 350.396 3.062 20 0 FGADHM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1cccc(F)c1-c1nc[nH]n1 ZINC000485401359 501810742 /nfs/dbraw/zinc/81/07/42/501810742.db2.gz SUPYRXKXQYBSKN-UHFFFAOYSA-N -1 3 364.377 3.168 20 0 FGADHM CCOC(=O)c1nnsc1[N-]C(=O)[C@H](C)Oc1ccc2ccccc2c1 ZINC000470809210 501811294 /nfs/dbraw/zinc/81/12/94/501811294.db2.gz AHATXELAOFBIAL-NSHDSACASA-N -1 3 371.418 3.274 20 0 FGADHM CCOC(=O)c1ccc(NC(=O)[C@H]2COc3cc(C)c(C)cc32)c([O-])c1 ZINC000474375461 501811858 /nfs/dbraw/zinc/81/18/58/501811858.db2.gz UTMJCISLYOEAPY-HNNXBMFYSA-N -1 3 355.390 3.300 20 0 FGADHM CCOC[C@H]([N-]S(=O)(=O)c1cc(Cl)c(OC)cc1Cl)C(C)C ZINC000474379896 501813727 /nfs/dbraw/zinc/81/37/27/501813727.db2.gz YJJRKDCSYZZXHA-LBPRGKRZSA-N -1 3 370.298 3.341 20 0 FGADHM CCN=c1[n-]c(C(=O)N[C@H](C)[C@H](OC)c2ccccc2Cl)cs1 ZINC000485427698 501819092 /nfs/dbraw/zinc/81/90/92/501819092.db2.gz DFTDVJRUXLYDKO-YGRLFVJLSA-N -1 3 353.875 3.156 20 0 FGADHM O=S(=O)([N-]Cc1cn2ccccc2n1)c1ccc(Cl)cc1Cl ZINC000485433588 501819804 /nfs/dbraw/zinc/81/98/04/501819804.db2.gz CRYVPIJPNSEQAA-UHFFFAOYSA-N -1 3 356.234 3.120 20 0 FGADHM CC(C)Cn1cnc(S(=O)(=O)[N-][C@@H]2CC[C@H](c3ccccc3F)C2)c1 ZINC000481587770 501824172 /nfs/dbraw/zinc/82/41/72/501824172.db2.gz QRBVPGXWESKNLD-LSDHHAIUSA-N -1 3 365.474 3.293 20 0 FGADHM O=S(=O)([N-]Cc1cccc(-c2ncc[nH]2)c1)c1cc(F)cc(Cl)c1 ZINC000463869519 501843575 /nfs/dbraw/zinc/84/35/75/501843575.db2.gz IQUMWGRKQBJVRO-UHFFFAOYSA-N -1 3 365.817 3.348 20 0 FGADHM CCc1cc(C(=O)N2CCN(Cc3cc(F)ccc3OC)CC2)ccc1[O-] ZINC000485557633 501859491 /nfs/dbraw/zinc/85/94/91/501859491.db2.gz VYLNGDUBDDQTHU-UHFFFAOYSA-N -1 3 372.440 3.060 20 0 FGADHM CCc1cc(C(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)ccc1[O-] ZINC000485589017 501869455 /nfs/dbraw/zinc/86/94/55/501869455.db2.gz HOXMZUDEXJBARL-KBPBESRZSA-N -1 3 355.438 3.216 20 0 FGADHM CCCCc1n[n-]c(=NC(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)s1 ZINC000474560024 501876736 /nfs/dbraw/zinc/87/67/36/501876736.db2.gz RMACOFKWBZNEAZ-INIZCTEOSA-N -1 3 373.526 3.041 20 0 FGADHM CO[C@](C)(C(=O)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1)c1ccccc1 ZINC000467809221 501881016 /nfs/dbraw/zinc/88/10/16/501881016.db2.gz WJTPIWFHXBIJKJ-IBGZPJMESA-N -1 3 357.360 3.277 20 0 FGADHM COc1cc(C(=O)NC[C@@H](C)Oc2cccc(Cl)c2)cc(OC)c1[O-] ZINC000485628767 501881219 /nfs/dbraw/zinc/88/12/19/501881219.db2.gz QMSJMAUITWGIRB-LLVKDONJSA-N -1 3 365.813 3.260 20 0 FGADHM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(CN(C)C)c(Cl)c2)cc1 ZINC000481865489 501902947 /nfs/dbraw/zinc/90/29/47/501902947.db2.gz KQXHKKUEWFPQNR-UHFFFAOYSA-N -1 3 366.870 3.405 20 0 FGADHM CCc1cc(C(=O)Nc2cccc(OCC(=O)N(CC)CC)c2)ccc1[O-] ZINC000485697329 501905182 /nfs/dbraw/zinc/90/51/82/501905182.db2.gz PSEWASGTBGCKDU-UHFFFAOYSA-N -1 3 370.449 3.454 20 0 FGADHM CC(C)(C)n1cnc([N-]C(=O)c2cnc(Cc3ccccc3F)s2)n1 ZINC000478233671 501917538 /nfs/dbraw/zinc/91/75/38/501917538.db2.gz SPSCAWVWRFQEAW-UHFFFAOYSA-N -1 3 359.430 3.472 20 0 FGADHM CNC(=O)c1ccc([N-]C(=O)c2scnc2C(F)(F)F)c(Cl)c1 ZINC000485733939 501918780 /nfs/dbraw/zinc/91/87/80/501918780.db2.gz ULPMWGLTDIOUEO-UHFFFAOYSA-N -1 3 363.748 3.427 20 0 FGADHM C[C@@H](CS(=O)(=O)[N-]CC(=O)c1ccccc1Cl)c1ccccc1 ZINC000464197873 501919839 /nfs/dbraw/zinc/91/98/39/501919839.db2.gz MEPZMXSSWVBOBH-ZDUSSCGKSA-N -1 3 351.855 3.246 20 0 FGADHM Cc1nc(-c2ccsc2)ccc1C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000481923505 501920426 /nfs/dbraw/zinc/92/04/26/501920426.db2.gz OVQRCNFPQRGLNP-UHFFFAOYSA-N -1 3 367.356 3.185 20 0 FGADHM Cc1nc(-c2ccsc2)ccc1C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000481923505 501920428 /nfs/dbraw/zinc/92/04/28/501920428.db2.gz OVQRCNFPQRGLNP-UHFFFAOYSA-N -1 3 367.356 3.185 20 0 FGADHM Cc1nc(-c2ccsc2)ccc1C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000481923505 501920429 /nfs/dbraw/zinc/92/04/29/501920429.db2.gz OVQRCNFPQRGLNP-UHFFFAOYSA-N -1 3 367.356 3.185 20 0 FGADHM O=C([N-]c1nnc(-c2ccccc2)s1)c1ncccc1OCC(F)F ZINC000481951240 501927633 /nfs/dbraw/zinc/92/76/33/501927633.db2.gz HOIBTLHROVICHU-UHFFFAOYSA-N -1 3 362.361 3.496 20 0 FGADHM COc1ccc(OCCS(=O)(=O)[N-]c2cccc([C@@H](C)OC)c2)cc1 ZINC000460826378 501930597 /nfs/dbraw/zinc/93/05/97/501930597.db2.gz ALJXZEMAQCVCRY-CQSZACIVSA-N -1 3 365.451 3.223 20 0 FGADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(F)c2F)cc1Cl ZINC000481963413 501930948 /nfs/dbraw/zinc/93/09/48/501930948.db2.gz AYSHLJOGIDGJGI-UHFFFAOYSA-N -1 3 360.769 3.377 20 0 FGADHM O=C(NC(C1CC1)C1CC1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000602741692 506282855 /nfs/dbraw/zinc/28/28/55/506282855.db2.gz WZXNMFQKDBSMOW-UHFFFAOYSA-N -1 3 361.239 3.209 20 0 FGADHM COc1ccc(C(=O)Nc2nnc(-c3c(F)cccc3F)[n-]2)c(OC)c1 ZINC000478325194 501943667 /nfs/dbraw/zinc/94/36/67/501943667.db2.gz UZECCHNKSOQUJS-UHFFFAOYSA-N -1 3 360.320 3.019 20 0 FGADHM COc1ccc(C(=O)Nc2nc(-c3c(F)cccc3F)n[n-]2)c(OC)c1 ZINC000478325194 501943672 /nfs/dbraw/zinc/94/36/72/501943672.db2.gz UZECCHNKSOQUJS-UHFFFAOYSA-N -1 3 360.320 3.019 20 0 FGADHM COc1ccc(C(=O)Nc2n[n-]c(-c3c(F)cccc3F)n2)c(OC)c1 ZINC000478325194 501943674 /nfs/dbraw/zinc/94/36/74/501943674.db2.gz UZECCHNKSOQUJS-UHFFFAOYSA-N -1 3 360.320 3.019 20 0 FGADHM O=C(Nc1nnc(-c2ccco2)[n-]1)c1ccc(OCc2ccccn2)cc1 ZINC000460881599 501949141 /nfs/dbraw/zinc/94/91/41/501949141.db2.gz OMCMXVDNVGDFRN-UHFFFAOYSA-N -1 3 361.361 3.291 20 0 FGADHM O=C(Nc1nc(-c2ccco2)n[n-]1)c1ccc(OCc2ccccn2)cc1 ZINC000460881599 501949150 /nfs/dbraw/zinc/94/91/50/501949150.db2.gz OMCMXVDNVGDFRN-UHFFFAOYSA-N -1 3 361.361 3.291 20 0 FGADHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1ccc(OCc2ccccn2)cc1 ZINC000460881599 501949153 /nfs/dbraw/zinc/94/91/53/501949153.db2.gz OMCMXVDNVGDFRN-UHFFFAOYSA-N -1 3 361.361 3.291 20 0 FGADHM CCc1ncc(S(=O)(=O)[N-][C@@H]2CC(C)(C)Oc3ccccc32)s1 ZINC000460933995 501961731 /nfs/dbraw/zinc/96/17/31/501961731.db2.gz YLOUJNYBQAHRQV-GFCCVEGCSA-N -1 3 352.481 3.286 20 0 FGADHM Cc1cc(NC(=O)NCc2ncccc2[O-])ccc1NC(=O)c1ccco1 ZINC000471249318 501967806 /nfs/dbraw/zinc/96/78/06/501967806.db2.gz HKNPHWFSDVKFFH-UHFFFAOYSA-N -1 3 366.377 3.263 20 0 FGADHM CCn1cnc(S(=O)(=O)[N-]Cc2c(OC(C)C)ccc3ccccc32)c1 ZINC000464365610 501967960 /nfs/dbraw/zinc/96/79/60/501967960.db2.gz YEVNKMHIJJBAJM-UHFFFAOYSA-N -1 3 373.478 3.322 20 0 FGADHM CC[C@@H]1CCCN(C(=O)N=c2cc3ccc(Br)cn3[n-]2)C1 ZINC000482085704 501969386 /nfs/dbraw/zinc/96/93/86/501969386.db2.gz UMLUMKWSSTWAPV-LLVKDONJSA-N -1 3 351.248 3.173 20 0 FGADHM CCc1ncc(S(=O)(=O)[N-]Cc2ccc(C(F)(F)F)cc2)s1 ZINC000460959057 501970559 /nfs/dbraw/zinc/97/05/59/501970559.db2.gz JKPYUNDKZHWROY-UHFFFAOYSA-N -1 3 350.387 3.203 20 0 FGADHM C[C@@H](c1ccncc1)N(C)C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482113802 501978914 /nfs/dbraw/zinc/97/89/14/501978914.db2.gz MJKWLNAFODFGFD-NSHDSACASA-N -1 3 374.242 3.139 20 0 FGADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H]1COc2ccccc2C1 ZINC000471320509 501988715 /nfs/dbraw/zinc/98/87/15/501988715.db2.gz KNFMOYUWQJKKPZ-CQSZACIVSA-N -1 3 361.394 3.162 20 0 FGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)CCc2nc3ccccc3o2)c1 ZINC000461032131 501993866 /nfs/dbraw/zinc/99/38/66/501993866.db2.gz VFMMVNMPZQSZSV-UHFFFAOYSA-N -1 3 373.434 3.079 20 0 FGADHM C[C@@H]1CCC[C@@H]1CNC(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482171063 501997015 /nfs/dbraw/zinc/99/70/15/501997015.db2.gz TWLXRPRCJXHHFK-GHMZBOCLSA-N -1 3 351.248 3.076 20 0 FGADHM CCN=c1[n-]c(C(=O)N2CCN(Cc3ccc(C(C)C)cc3)CC2)cs1 ZINC000478485877 501997615 /nfs/dbraw/zinc/99/76/15/501997615.db2.gz ZNHLFIZUVPPACZ-UHFFFAOYSA-N -1 3 372.538 3.078 20 0 FGADHM CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-][C@@H](C)c1cc(C)sc1C ZINC000485957865 502001282 /nfs/dbraw/zinc/00/12/82/502001282.db2.gz AQGBRKDPYGYHAA-JTQLQIEISA-N -1 3 371.480 3.346 20 0 FGADHM C/C=C/c1ccc(NC(=O)Nc2ccc(C[C@H]3NC(=O)[N-]C3=O)cc2)cc1 ZINC000478517409 502006772 /nfs/dbraw/zinc/00/67/72/502006772.db2.gz MGULSQXHSXVLPI-RCAFFNEUSA-N -1 3 364.405 3.114 20 0 FGADHM C[C@H](NC(=O)CNC(=O)c1cccc([O-])c1)c1cccc(Cl)c1Cl ZINC000471386453 502007428 /nfs/dbraw/zinc/00/74/28/502007428.db2.gz ZVMGSVOAZJCITJ-JTQLQIEISA-N -1 3 367.232 3.306 20 0 FGADHM CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)CNC(=O)c2cccc([O-])c2)o1 ZINC000471389231 502008405 /nfs/dbraw/zinc/00/84/05/502008405.db2.gz UMMVWCMAVBEJQF-RDTXWAMCSA-N -1 3 370.449 3.277 20 0 FGADHM O=C(CSCc1cccc(Cl)c1)NCc1nnc(C(F)(F)F)[n-]1 ZINC000482239389 502015799 /nfs/dbraw/zinc/01/57/99/502015799.db2.gz NMVSDLFDXRDUQN-UHFFFAOYSA-N -1 3 364.780 3.027 20 0 FGADHM O=C(CSCc1cccc(Cl)c1)NCc1n[n-]c(C(F)(F)F)n1 ZINC000482239389 502015804 /nfs/dbraw/zinc/01/58/04/502015804.db2.gz NMVSDLFDXRDUQN-UHFFFAOYSA-N -1 3 364.780 3.027 20 0 FGADHM O=C(CSCc1cccc(Cl)c1)NCc1nc(C(F)(F)F)n[n-]1 ZINC000482239389 502015810 /nfs/dbraw/zinc/01/58/10/502015810.db2.gz NMVSDLFDXRDUQN-UHFFFAOYSA-N -1 3 364.780 3.027 20 0 FGADHM O=C(Cc1ccc(-c2ccccc2)cc1)NCc1nnc(C(F)(F)F)[n-]1 ZINC000482238377 502016462 /nfs/dbraw/zinc/01/64/62/502016462.db2.gz LDOMYBVEOLWABU-UHFFFAOYSA-N -1 3 360.339 3.349 20 0 FGADHM O=C(Cc1ccc(-c2ccccc2)cc1)NCc1n[n-]c(C(F)(F)F)n1 ZINC000482238377 502016466 /nfs/dbraw/zinc/01/64/66/502016466.db2.gz LDOMYBVEOLWABU-UHFFFAOYSA-N -1 3 360.339 3.349 20 0 FGADHM O=C(Cc1ccc(-c2ccccc2)cc1)NCc1nc(C(F)(F)F)n[n-]1 ZINC000482238377 502016470 /nfs/dbraw/zinc/01/64/70/502016470.db2.gz LDOMYBVEOLWABU-UHFFFAOYSA-N -1 3 360.339 3.349 20 0 FGADHM CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-][C@H](C)[C@H](C)c1ccccc1 ZINC000486023947 502021867 /nfs/dbraw/zinc/02/18/67/502021867.db2.gz FPHZQULGSZVIOK-QWHCGFSZSA-N -1 3 365.451 3.099 20 0 FGADHM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2c(C)cccc2Cl)c1 ZINC000461136484 502023231 /nfs/dbraw/zinc/02/32/31/502023231.db2.gz WOFXGUMZJQKHPF-UHFFFAOYSA-N -1 3 357.790 3.375 20 0 FGADHM CCc1cc(C(=O)N2CSC[C@H]2C(=O)Nc2ccccc2C)ccc1[O-] ZINC000486069028 502036813 /nfs/dbraw/zinc/03/68/13/502036813.db2.gz NAGWBOWPNPXTMA-KRWDZBQOSA-N -1 3 370.474 3.417 20 0 FGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1C[C@@H](OC(C)C)C1(C)C ZINC000486071225 502037083 /nfs/dbraw/zinc/03/70/83/502037083.db2.gz RGCJETHMJVWZLM-HUUCEWRRSA-N -1 3 361.891 3.219 20 0 FGADHM c1ccc(-c2nc(=NCc3ccc(OCCN4CCCC4)cc3)[n-]o2)cc1 ZINC000475057268 502040325 /nfs/dbraw/zinc/04/03/25/502040325.db2.gz UNKUTODCKQMVCW-UHFFFAOYSA-N -1 3 364.449 3.245 20 0 FGADHM CC(=O)c1cc(C(=O)N=c2nc(-c3ccccc3Cl)[n-]n2C)ccc1C ZINC000461228374 502046254 /nfs/dbraw/zinc/04/62/54/502046254.db2.gz IRKUUCWJBZSZDL-UHFFFAOYSA-N -1 3 368.824 3.321 20 0 FGADHM CC(C)C[C@@H](C)OCCC(=O)N=c1nc(-c2ccccc2Cl)[n-]n1C ZINC000461233243 502047330 /nfs/dbraw/zinc/04/73/30/502047330.db2.gz MTNIPLRHZYHCNZ-CYBMUJFWSA-N -1 3 364.877 3.337 20 0 FGADHM CCc1ccc(CC(=O)N=c2nc(-c3ccccc3Cl)[n-]n2C)cc1 ZINC000461234789 502047364 /nfs/dbraw/zinc/04/73/64/502047364.db2.gz RTXDUJRDGZCEEI-UHFFFAOYSA-N -1 3 354.841 3.301 20 0 FGADHM Cc1cccc(O[C@H](C)C(=O)N=c2nc(-c3ccccc3Cl)[n-]n2C)c1 ZINC000461243117 502050406 /nfs/dbraw/zinc/05/04/06/502050406.db2.gz PBZBQWZTVIXOME-CYBMUJFWSA-N -1 3 370.840 3.272 20 0 FGADHM CCOc1cccc2cc([C@@H](C)NC(=O)NCc3ncccc3[O-])oc21 ZINC000471513007 502050615 /nfs/dbraw/zinc/05/06/15/502050615.db2.gz DSFYUXYPIBUQJM-GFCCVEGCSA-N -1 3 355.394 3.493 20 0 FGADHM CCc1ccc(S(=O)(=O)[N-]c2cc(F)cc(C(=O)OC)c2F)cc1 ZINC000478696697 502060768 /nfs/dbraw/zinc/06/07/68/502060768.db2.gz VZCNLBCATXUANQ-UHFFFAOYSA-N -1 3 355.362 3.115 20 0 FGADHM Cc1cc(C)cc(C[C@H](C)NC(=O)c2ccc([N-]S(C)(=O)=O)cc2)c1 ZINC000461291337 502064602 /nfs/dbraw/zinc/06/46/02/502064602.db2.gz GXCYUVFKNQYXSS-HNNXBMFYSA-N -1 3 360.479 3.036 20 0 FGADHM COC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1CC(C)(C)c2ccccc21 ZINC000588645919 506291655 /nfs/dbraw/zinc/29/16/55/506291655.db2.gz MSLPVHRJUBIJLF-UHFFFAOYSA-N -1 3 372.446 3.106 20 0 FGADHM O=c1[n-]c(CN2CCc3c2cccc3F)nc2c1cnn2-c1ccccc1 ZINC000461384218 502089049 /nfs/dbraw/zinc/08/90/49/502089049.db2.gz PZFIXWQCZKKART-UHFFFAOYSA-N -1 3 361.380 3.223 20 0 FGADHM Cc1sccc1CC(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000468522903 502091313 /nfs/dbraw/zinc/09/13/13/502091313.db2.gz 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/nfs/dbraw/zinc/31/27/71/502312771.db2.gz QNMKIOUBSRWXHD-UHFFFAOYSA-N -1 3 369.391 3.365 20 0 FGADHM COC(=O)c1c(C)c(C)sc1[N-]C(=O)c1cc(-c2ccccn2)no1 ZINC000462116520 502312995 /nfs/dbraw/zinc/31/29/95/502312995.db2.gz OLWHKYFXTQLJOM-UHFFFAOYSA-N -1 3 357.391 3.454 20 0 FGADHM COC(=O)c1sccc1S(=O)(=O)[N-]CCc1ccc(Cl)c(C)c1 ZINC000462123639 502315502 /nfs/dbraw/zinc/31/55/02/502315502.db2.gz YFOVKDUVUOYEKI-UHFFFAOYSA-N -1 3 373.883 3.018 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]CCOCc2ccccc2)c(Cl)cc1F ZINC000472326604 502315939 /nfs/dbraw/zinc/31/59/39/502315939.db2.gz ZWOHAYTZXTZBTB-UHFFFAOYSA-N -1 3 357.834 3.283 20 0 FGADHM Cc1nc(-c2ccc(NC(=O)Nc3ccn(C(C)C)n3)cc2)cc(=O)[n-]1 ZINC000479610816 502317976 /nfs/dbraw/zinc/31/79/76/502317976.db2.gz FWXAHIGFKFBWRW-UHFFFAOYSA-N -1 3 352.398 3.001 20 0 FGADHM CO[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000469180451 502326833 /nfs/dbraw/zinc/32/68/33/502326833.db2.gz WCEGQXXBXICVKQ-RYUDHWBXSA-N -1 3 361.891 3.221 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)c1csc(C(=O)OC)c1)c1ccc(C)cc1 ZINC000462157475 502328064 /nfs/dbraw/zinc/32/80/64/502328064.db2.gz OIDDVGUCKDNCCD-AWEZNQCLSA-N -1 3 353.465 3.273 20 0 FGADHM CC[C@@H](O)CN(Cc1ccccc1)C(=O)c1c[n-]c2c(C)cccc2c1=O ZINC000483260460 502331820 /nfs/dbraw/zinc/33/18/20/502331820.db2.gz BZIKZZIKANFNRA-QGZVFWFLSA-N -1 3 364.445 3.250 20 0 FGADHM CC(C)[C@H](NC(=O)CCCc1ccc([O-])c(F)c1)C(=O)OC(C)(C)C ZINC000469221386 502342042 /nfs/dbraw/zinc/34/20/42/502342042.db2.gz KPDJMWHXYUSCSY-KRWDZBQOSA-N -1 3 353.434 3.337 20 0 FGADHM CCC(CC)(CC(=O)OC)NCc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000472403582 502342512 /nfs/dbraw/zinc/34/25/12/502342512.db2.gz DTFRRYDQDJYHOI-UHFFFAOYSA-N -1 3 357.410 3.293 20 0 FGADHM Cc1cc(C)c2[n-]cc(C(=O)N(C)[C@@H](CCO)c3ccccc3)c(=O)c2c1 ZINC000483303660 502344201 /nfs/dbraw/zinc/34/42/01/502344201.db2.gz AEMBWYBLEFGUQO-IBGZPJMESA-N -1 3 364.445 3.341 20 0 FGADHM COc1ccc(C(=O)CCCCCC(=O)Nc2nnc(SC)[n-]2)cc1 ZINC000475991392 502352255 /nfs/dbraw/zinc/35/22/55/502352255.db2.gz PXIKOVWNRJOVRI-UHFFFAOYSA-N -1 3 362.455 3.307 20 0 FGADHM COc1ccc(C(=O)CCCCCC(=O)Nc2nc(SC)n[n-]2)cc1 ZINC000475991392 502352260 /nfs/dbraw/zinc/35/22/60/502352260.db2.gz PXIKOVWNRJOVRI-UHFFFAOYSA-N -1 3 362.455 3.307 20 0 FGADHM COc1ccc(C(=O)CCCCCC(=O)Nc2n[n-]c(SC)n2)cc1 ZINC000475991392 502352265 /nfs/dbraw/zinc/35/22/65/502352265.db2.gz PXIKOVWNRJOVRI-UHFFFAOYSA-N -1 3 362.455 3.307 20 0 FGADHM CNC(=O)CCOc1ccc(NC(=O)CCCc2ccc([O-])c(F)c2)cc1 ZINC000469275028 502357664 /nfs/dbraw/zinc/35/76/64/502357664.db2.gz VZJUDVQEZDUHPH-UHFFFAOYSA-N -1 3 374.412 3.008 20 0 FGADHM CCn1nc(C(=O)N2CC[C@H](C)c3cccc([O-])c32)c(=O)c2ccccc21 ZINC000469283162 502360961 /nfs/dbraw/zinc/36/09/61/502360961.db2.gz NNWHPKIQJZJRQR-ZDUSSCGKSA-N -1 3 363.417 3.276 20 0 FGADHM COc1ccccc1[C@@H](C[N-]S(=O)(=O)c1ccc(C)o1)OC(C)C ZINC000472620451 502402240 /nfs/dbraw/zinc/40/22/40/502402240.db2.gz HGCRQUQCKUSZSN-MRXNPFEDSA-N -1 3 353.440 3.041 20 0 FGADHM CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2ccc(CN(C)C)cc2)n[nH]1 ZINC000476188361 502407532 /nfs/dbraw/zinc/40/75/32/502407532.db2.gz DRHURJZHFMBWFG-CYBMUJFWSA-N -1 3 350.488 3.176 20 0 FGADHM CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2ccc(CN(C)C)cc2)[nH]n1 ZINC000476188361 502407534 /nfs/dbraw/zinc/40/75/34/502407534.db2.gz DRHURJZHFMBWFG-CYBMUJFWSA-N -1 3 350.488 3.176 20 0 FGADHM C[C@@H]1C[C@H](NC(=O)CCCc2ccc([O-])c(F)c2)C(=O)N1c1ccccc1 ZINC000469426386 502412408 /nfs/dbraw/zinc/41/24/08/502412408.db2.gz NGTTVPFWVZLWEX-KDOFPFPSSA-N -1 3 370.424 3.164 20 0 FGADHM CCC(=O)c1ccc(-c2nc(-c3ccc([N-]S(C)(=O)=O)cc3)no2)cc1 ZINC000472663094 502412978 /nfs/dbraw/zinc/41/29/78/502412978.db2.gz JOIDMFJJVVMDMC-UHFFFAOYSA-N -1 3 371.418 3.368 20 0 FGADHM COC(C)(C)C[C@H](C)[N-]S(=O)(=O)c1sc(C)cc1Br ZINC000462391292 502419132 /nfs/dbraw/zinc/41/91/32/502419132.db2.gz DSEOVJHVRMWHQI-QMMMGPOBSA-N -1 3 370.334 3.301 20 0 FGADHM CO[C@@H](C[N-]S(=O)(=O)c1cc(F)cc(F)c1)c1ccc(Cl)cc1 ZINC000462390012 502418265 /nfs/dbraw/zinc/41/82/65/502418265.db2.gz ACYNRPJRXJUUGI-HNNXBMFYSA-N -1 3 361.797 3.284 20 0 FGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]CC1(CO)CCCC1 ZINC000472688475 502419082 /nfs/dbraw/zinc/41/90/82/502419082.db2.gz QAIZZHAYHKTUDL-UHFFFAOYSA-N -1 3 357.859 3.226 20 0 FGADHM O=C(C[C@H](O)Cc1ccccc1)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000487353524 502424007 /nfs/dbraw/zinc/42/40/07/502424007.db2.gz INNNEVBBFKEAGX-GFCCVEGCSA-N -1 3 355.312 3.223 20 0 FGADHM C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000483538211 502425342 /nfs/dbraw/zinc/42/53/42/502425342.db2.gz AXYZLCICVZXPEX-MWLCHTKSSA-N -1 3 371.338 3.050 20 0 FGADHM C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000483538211 502425347 /nfs/dbraw/zinc/42/53/47/502425347.db2.gz AXYZLCICVZXPEX-MWLCHTKSSA-N -1 3 371.338 3.050 20 0 FGADHM C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000483538211 502425351 /nfs/dbraw/zinc/42/53/51/502425351.db2.gz AXYZLCICVZXPEX-MWLCHTKSSA-N -1 3 371.338 3.050 20 0 FGADHM Cc1ccc(C)c([C@H](C)N(C)C(=O)NCc2nnc(C(F)(F)F)[n-]2)c1 ZINC000483557324 502430376 /nfs/dbraw/zinc/43/03/76/502430376.db2.gz GHHSKKSAXFGZPC-NSHDSACASA-N -1 3 355.364 3.343 20 0 FGADHM Cc1ccc(C)c([C@H](C)N(C)C(=O)NCc2n[n-]c(C(F)(F)F)n2)c1 ZINC000483557324 502430379 /nfs/dbraw/zinc/43/03/79/502430379.db2.gz GHHSKKSAXFGZPC-NSHDSACASA-N -1 3 355.364 3.343 20 0 FGADHM Cc1ccc(C)c([C@H](C)N(C)C(=O)NCc2nc(C(F)(F)F)n[n-]2)c1 ZINC000483557324 502430384 /nfs/dbraw/zinc/43/03/84/502430384.db2.gz GHHSKKSAXFGZPC-NSHDSACASA-N -1 3 355.364 3.343 20 0 FGADHM CCOC(=O)[C@H]([N-]S(=O)(=O)c1cccc(C)c1)c1cccc(C)c1C ZINC000472759969 502432810 /nfs/dbraw/zinc/43/28/10/502432810.db2.gz PKGNIIXFSLOPPW-GOSISDBHSA-N -1 3 361.463 3.195 20 0 FGADHM CC(C)N(Cc1cccc(F)c1)C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000483580426 502436213 /nfs/dbraw/zinc/43/62/13/502436213.db2.gz MACNNJYNDJMJMD-UHFFFAOYSA-N -1 3 359.327 3.083 20 0 FGADHM CC(C)N(Cc1cccc(F)c1)C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000483580426 502436217 /nfs/dbraw/zinc/43/62/17/502436217.db2.gz MACNNJYNDJMJMD-UHFFFAOYSA-N -1 3 359.327 3.083 20 0 FGADHM CC(C)N(Cc1cccc(F)c1)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000483580426 502436221 /nfs/dbraw/zinc/43/62/21/502436221.db2.gz MACNNJYNDJMJMD-UHFFFAOYSA-N -1 3 359.327 3.083 20 0 FGADHM Cc1nc(C2([N-]S(=O)(=O)c3ccccc3C(C)(C)C)CCCC2)no1 ZINC000462435525 502438184 /nfs/dbraw/zinc/43/81/84/502438184.db2.gz INEKGBNFKDTJSY-UHFFFAOYSA-N -1 3 363.483 3.423 20 0 FGADHM CC(C)[C@H]1CCC[C@@H](NC(=O)c2ccc([N-]S(C)(=O)=O)cc2)CC1 ZINC000469501255 502442191 /nfs/dbraw/zinc/44/21/91/502442191.db2.gz ICOIFJJDSAJFIU-GOEBONIOSA-N -1 3 352.500 3.393 20 0 FGADHM COc1ccc(NC(=O)CC[S@@](=O)c2ccc([O-])cc2)cc1Cl ZINC000480005092 502442531 /nfs/dbraw/zinc/44/25/31/502442531.db2.gz GACQYQCTEOXIMC-HSZRJFAPSA-N -1 3 353.827 3.191 20 0 FGADHM Cc1ncsc1[N-]C(=O)c1nnn(-c2ccc(F)cc2)c1C(F)(F)F ZINC000472819302 502449135 /nfs/dbraw/zinc/44/91/35/502449135.db2.gz QIBKJBOSVWUCOQ-UHFFFAOYSA-N -1 3 371.319 3.442 20 0 FGADHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CCN1C ZINC000462498263 502465370 /nfs/dbraw/zinc/46/53/70/502465370.db2.gz CYLTYOCRBCTCPD-KOLCDFICSA-N -1 3 370.824 3.120 20 0 FGADHM Cc1[n-][nH]c(=O)c1CCNC(=O)C[C@H](Cc1ccccc1)c1ccccc1 ZINC000607907583 506315408 /nfs/dbraw/zinc/31/54/08/506315408.db2.gz PYJHRXGWDXBXGL-PMACEKPBSA-N -1 3 363.461 3.031 20 0 FGADHM CCCN(C(=O)c1cncc([O-])c1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000469638670 502488721 /nfs/dbraw/zinc/48/87/21/502488721.db2.gz XZDQTAJDSNMNSM-IBGZPJMESA-N -1 3 353.466 3.304 20 0 FGADHM C[C@@H]1C[C@H]1NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000469656267 502493408 /nfs/dbraw/zinc/49/34/08/502493408.db2.gz OUNKPDWGIKIRHL-KSBSHMNSSA-N -1 3 355.619 3.082 20 0 FGADHM C[C@@H]1C[C@H]1NC(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000469656267 502493409 /nfs/dbraw/zinc/49/34/09/502493409.db2.gz OUNKPDWGIKIRHL-KSBSHMNSSA-N -1 3 355.619 3.082 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)c3cc(Cl)cc4c3OCC4)[n-]c21 ZINC000462605999 502504038 /nfs/dbraw/zinc/50/40/38/502504038.db2.gz OKLFFGUVWWHXQT-UHFFFAOYSA-N -1 3 371.780 3.190 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cc(Cl)cc4c3OCC4)nc21 ZINC000462605999 502504040 /nfs/dbraw/zinc/50/40/40/502504040.db2.gz OKLFFGUVWWHXQT-UHFFFAOYSA-N -1 3 371.780 3.190 20 0 FGADHM COc1ccccc1O[C@H](C)C[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000462605291 502504338 /nfs/dbraw/zinc/50/43/38/502504338.db2.gz VVUNCZMLMWRCLM-LLVKDONJSA-N -1 3 373.833 3.234 20 0 FGADHM Cn1cc([C@H]([N-]C(=O)c2cc(F)c(F)cc2Cl)C(F)(F)F)cn1 ZINC000487748377 502520623 /nfs/dbraw/zinc/52/06/23/502520623.db2.gz LDKMYZLUOWVIMU-NSHDSACASA-N -1 3 353.678 3.385 20 0 FGADHM Cc1nn(C)c2cc(NC(=O)c3c[n-]c4c(C)cc(F)cc4c3=O)ccc12 ZINC000462652992 502523999 /nfs/dbraw/zinc/52/39/99/502523999.db2.gz AWQBLNBRBCNMCW-UHFFFAOYSA-N -1 3 364.380 3.423 20 0 FGADHM C[C@@H](C[N-]S(=O)(=O)c1ccc(F)c(Br)c1)C(F)(F)F ZINC000476564084 502526949 /nfs/dbraw/zinc/52/69/49/502526949.db2.gz FZSLIPSFOTXKSQ-LURJTMIESA-N -1 3 364.158 3.065 20 0 FGADHM FC(F)(F)c1nnc(CNc2ccnc3cc(Br)cnc32)[n-]1 ZINC000480310869 502534509 /nfs/dbraw/zinc/53/45/09/502534509.db2.gz UVJSOOILKAKGGV-UHFFFAOYSA-N -1 3 373.136 3.141 20 0 FGADHM FC(F)(F)c1nc(CNc2ccnc3cc(Br)cnc32)n[n-]1 ZINC000480310869 502534514 /nfs/dbraw/zinc/53/45/14/502534514.db2.gz UVJSOOILKAKGGV-UHFFFAOYSA-N -1 3 373.136 3.141 20 0 FGADHM FC(F)(F)c1n[n-]c(CNc2ccnc3cc(Br)cnc32)n1 ZINC000480310869 502534522 /nfs/dbraw/zinc/53/45/22/502534522.db2.gz UVJSOOILKAKGGV-UHFFFAOYSA-N -1 3 373.136 3.141 20 0 FGADHM C[C@H](C[N-]S(=O)(=O)c1cc(F)cc(F)c1)Oc1cccc(Cl)c1 ZINC000462703324 502540050 /nfs/dbraw/zinc/54/00/50/502540050.db2.gz NPJFVDQCFWOMNR-SNVBAGLBSA-N -1 3 361.797 3.364 20 0 FGADHM CCCOc1cc(C)ccc1NC(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000480340111 502542574 /nfs/dbraw/zinc/54/25/74/502542574.db2.gz VTMGLXRUMWBZAS-UHFFFAOYSA-N -1 3 357.336 3.242 20 0 FGADHM CCCOc1cc(C)ccc1NC(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000480340111 502542578 /nfs/dbraw/zinc/54/25/78/502542578.db2.gz VTMGLXRUMWBZAS-UHFFFAOYSA-N -1 3 357.336 3.242 20 0 FGADHM CCCOc1cc(C)ccc1NC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000480340111 502542582 /nfs/dbraw/zinc/54/25/82/502542582.db2.gz VTMGLXRUMWBZAS-UHFFFAOYSA-N -1 3 357.336 3.242 20 0 FGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)Cc2cc(C)cc(C)c2)s1 ZINC000462726801 502550922 /nfs/dbraw/zinc/55/09/22/502550922.db2.gz LCLLAFLMQGMATL-ZDUSSCGKSA-N -1 3 367.492 3.061 20 0 FGADHM COC(=O)[C@H]1CCCC[C@]1(C)NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000469817486 502556022 /nfs/dbraw/zinc/55/60/22/502556022.db2.gz HKFNUSJYWGRZCS-KUHUBIRLSA-N -1 3 351.418 3.092 20 0 FGADHM Cc1cc(C(=O)N=c2cc(-c3ccncc3)[n-][nH]2)c(Br)s1 ZINC000473315642 502564767 /nfs/dbraw/zinc/56/47/67/502564767.db2.gz NPJBJDNRUKCQNR-UHFFFAOYSA-N -1 3 363.240 3.278 20 0 FGADHM CSc1ncc(C(=O)Nc2nnc(-c3ccco3)[n-]2)n1-c1ccccc1 ZINC000484101957 502570017 /nfs/dbraw/zinc/57/00/17/502570017.db2.gz GZLWIULJKATORC-UHFFFAOYSA-N -1 3 366.406 3.225 20 0 FGADHM CSc1ncc(C(=O)Nc2nc(-c3ccco3)n[n-]2)n1-c1ccccc1 ZINC000484101957 502570022 /nfs/dbraw/zinc/57/00/22/502570022.db2.gz GZLWIULJKATORC-UHFFFAOYSA-N -1 3 366.406 3.225 20 0 FGADHM CSc1ncc(C(=O)Nc2n[n-]c(-c3ccco3)n2)n1-c1ccccc1 ZINC000484101957 502570026 /nfs/dbraw/zinc/57/00/26/502570026.db2.gz GZLWIULJKATORC-UHFFFAOYSA-N -1 3 366.406 3.225 20 0 FGADHM CCC1(CC)CCC(NC(=O)[C@H](C)[N-]S(=O)(=O)c2cccs2)CC1 ZINC000476843534 502600059 /nfs/dbraw/zinc/60/00/59/502600059.db2.gz GJWWUTGBYCTJOQ-ZDUSSCGKSA-N -1 3 372.556 3.280 20 0 FGADHM COc1ccc(-c2nnc(NCc3ncccc3[O-])c3ccccc32)cc1 ZINC000480579220 502609152 /nfs/dbraw/zinc/60/91/52/502609152.db2.gz LKFKQXLGPQKRON-UHFFFAOYSA-N -1 3 358.401 3.440 20 0 FGADHM COCCC[C@@H](Cc1ccccc1)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000473510491 502617078 /nfs/dbraw/zinc/61/70/78/502617078.db2.gz FSPWBZYQSCVJQT-KRWDZBQOSA-N -1 3 364.445 3.296 20 0 FGADHM CCc1cccc(C)c1NC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000480661654 502636082 /nfs/dbraw/zinc/63/60/82/502636082.db2.gz IOHVVJOAZVIUHM-UHFFFAOYSA-N -1 3 350.415 3.320 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)c3ccc(OC)c(Cl)c3)[n-]c21 ZINC000484416083 502640315 /nfs/dbraw/zinc/64/03/15/502640315.db2.gz NTCBAGYFSIKLCD-UHFFFAOYSA-N -1 3 359.769 3.264 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccc(OC)c(Cl)c3)nc21 ZINC000484416083 502640319 /nfs/dbraw/zinc/64/03/19/502640319.db2.gz NTCBAGYFSIKLCD-UHFFFAOYSA-N -1 3 359.769 3.264 20 0 FGADHM CC[C@H](C[N-]S(=O)(=O)c1ccc(OC)cc1F)Oc1ccccc1F ZINC000480687015 502642662 /nfs/dbraw/zinc/64/26/62/502642662.db2.gz CZVFITYXUNKNFG-GFCCVEGCSA-N -1 3 371.405 3.109 20 0 FGADHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)N1CCC[C@@H]1C1CCCCC1 ZINC000488216180 502660561 /nfs/dbraw/zinc/66/05/61/502660561.db2.gz JAVJFAPWUDKCHY-GOSISDBHSA-N -1 3 369.465 3.064 20 0 FGADHM Cc1cccc(S(=O)(=O)[N-]C[C@@](C)(Cc2ccccc2)[C@@H](C)O)c1F ZINC000480751936 502662017 /nfs/dbraw/zinc/66/20/17/502662017.db2.gz RYODATAKIPXJJU-DNVCBOLYSA-N -1 3 365.470 3.042 20 0 FGADHM O=C(Cc1csc(-c2ccc(Cl)cc2)n1)NCc1ncccc1[O-] ZINC000473637263 502662337 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/nfs/dbraw/zinc/72/72/81/502727281.db2.gz SGXTYOAQCKFARA-AWEZNQCLSA-N -1 3 362.455 3.106 20 0 FGADHM O=C(CCSc1ccccc1Cl)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000473855632 502727472 /nfs/dbraw/zinc/72/74/72/502727472.db2.gz JBPZDSMFLZWGHF-CYBMUJFWSA-N -1 3 351.859 3.457 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]Cc2cccc(-n3ccnc3)c2)sc1Cl ZINC000473857688 502727638 /nfs/dbraw/zinc/72/76/38/502727638.db2.gz OAZUWDIOOOLIKQ-UHFFFAOYSA-N -1 3 367.883 3.374 20 0 FGADHM Cc1ccc(-c2nc(C[N-]S(=O)(=O)c3ccc4c(c3)COC4)co2)cc1 ZINC000466925005 502729139 /nfs/dbraw/zinc/72/91/39/502729139.db2.gz MHLCJWSMQFVZQM-UHFFFAOYSA-N -1 3 370.430 3.159 20 0 FGADHM CCc1cc(=O)[n-]c(CS[C@H]2CCN(c3ccc(Cl)cc3)C2=O)n1 ZINC000477364536 502755691 /nfs/dbraw/zinc/75/56/91/502755691.db2.gz MNYGBQIPGOLXCE-AWEZNQCLSA-N -1 3 363.870 3.437 20 0 FGADHM Cc1ccccc1[C@@H]([C@H](C)[N-]S(=O)(=O)c1cncc(Cl)c1)N(C)C ZINC000473944985 502758048 /nfs/dbraw/zinc/75/80/48/502758048.db2.gz ZQDRXVNWWOMISU-SUMWQHHRSA-N -1 3 367.902 3.013 20 0 FGADHM Cc1cc(S(=O)(=O)[N-][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)sc1Cl ZINC000473945884 502759297 /nfs/dbraw/zinc/75/92/97/502759297.db2.gz RDEYVYXEMSNKPL-RTXFEEFZSA-N -1 3 361.916 3.336 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-]c1c(F)cc(C(C)=O)c(F)c1F ZINC000463375654 502775079 /nfs/dbraw/zinc/77/50/79/502775079.db2.gz MNZHNZANSFFTDQ-UHFFFAOYSA-N -1 3 365.354 3.177 20 0 FGADHM COc1ccccc1S(=O)(=O)[N-][C@](C)(c1ccccc1)C(F)(F)F ZINC000463381455 502778017 /nfs/dbraw/zinc/77/80/17/502778017.db2.gz NVNPNBFZIDKXJT-OAHLLOKOSA-N -1 3 359.369 3.451 20 0 FGADHM COC(=O)c1cc(C(=O)Nc2cnn(-c3cc(C)ccc3C)c2C)c[n-]1 ZINC000484931875 502780704 /nfs/dbraw/zinc/78/07/04/502780704.db2.gz GMPZTKXOZPAHBT-UHFFFAOYSA-N -1 3 352.394 3.165 20 0 FGADHM CN(C)c1ccc(S(=O)(=O)[N-]c2cccc(Oc3cnccn3)c2)cc1 ZINC000477500440 502789476 /nfs/dbraw/zinc/78/94/76/502789476.db2.gz OXDXPBIMIHFZBF-UHFFFAOYSA-N -1 3 370.434 3.136 20 0 FGADHM Cc1cccc(F)c1S(=O)(=O)[N-][C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000477516534 502795644 /nfs/dbraw/zinc/79/56/44/502795644.db2.gz RDIWOZHYPDXYLI-WMLDXEAASA-N -1 3 350.459 3.104 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(NC(C)=O)cc2Cl)cc1F ZINC000485006312 502798459 /nfs/dbraw/zinc/79/84/59/502798459.db2.gz SBXNYIAUEVRRIW-UHFFFAOYSA-N -1 3 372.805 3.247 20 0 FGADHM CCc1ncc(S(=O)(=O)[N-][C@@H]2CC[C@H](c3cccc(F)c3)C2)s1 ZINC000481258541 502798890 /nfs/dbraw/zinc/79/88/90/502798890.db2.gz YITIFZNOULYYIW-GXTWGEPZSA-N -1 3 354.472 3.459 20 0 FGADHM CC[C@H](C)[C@H](C)[N-]S(=O)(=O)c1cc(OC)ccc1Br ZINC000474096281 502808301 /nfs/dbraw/zinc/80/83/01/502808301.db2.gz JKYPDWXCAFNQLX-UWVGGRQHSA-N -1 3 350.278 3.171 20 0 FGADHM C[C@@H]1[C@H](CO)CCN1Cc1nc(=O)c2cc(-c3ccccc3)sc2[n-]1 ZINC000488802176 502811982 /nfs/dbraw/zinc/81/19/82/502811982.db2.gz WDIZIDWZOQVSIM-OCCSQVGLSA-N -1 3 355.463 3.267 20 0 FGADHM Cn1c(=O)[nH]c2ccc(C(=O)Nc3nnc(-c4cc5ccccc5o4)[n-]3)cc21 ZINC000485089342 502814348 /nfs/dbraw/zinc/81/43/48/502814348.db2.gz FSVUMYYCGCCQNQ-UHFFFAOYSA-N -1 3 374.360 3.063 20 0 FGADHM Cn1c(=O)[nH]c2ccc(C(=O)Nc3nc(-c4cc5ccccc5o4)n[n-]3)cc21 ZINC000485089342 502814349 /nfs/dbraw/zinc/81/43/49/502814349.db2.gz FSVUMYYCGCCQNQ-UHFFFAOYSA-N -1 3 374.360 3.063 20 0 FGADHM Cn1c(=O)[nH]c2ccc(C(=O)Nc3n[n-]c(-c4cc5ccccc5o4)n3)cc21 ZINC000485089342 502814350 /nfs/dbraw/zinc/81/43/50/502814350.db2.gz FSVUMYYCGCCQNQ-UHFFFAOYSA-N -1 3 374.360 3.063 20 0 FGADHM Cc1ccc(OCCCN2CCN(C(=O)c3cccc([O-])c3)CC2)cc1C ZINC000485108805 502816087 /nfs/dbraw/zinc/81/60/87/502816087.db2.gz VTQBAFGHXDJYFW-UHFFFAOYSA-N -1 3 368.477 3.236 20 0 FGADHM O=C(Nc1nnc(-c2cc3ccccc3o2)[n-]1)c1cn2ccnc2s1 ZINC000485121258 502817252 /nfs/dbraw/zinc/81/72/52/502817252.db2.gz OUIGNUWZAVXFGV-UHFFFAOYSA-N -1 3 350.363 3.179 20 0 FGADHM O=C(Nc1nc(-c2cc3ccccc3o2)n[n-]1)c1cn2ccnc2s1 ZINC000485121258 502817253 /nfs/dbraw/zinc/81/72/53/502817253.db2.gz OUIGNUWZAVXFGV-UHFFFAOYSA-N -1 3 350.363 3.179 20 0 FGADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)c1cn2ccnc2s1 ZINC000485121258 502817254 /nfs/dbraw/zinc/81/72/54/502817254.db2.gz OUIGNUWZAVXFGV-UHFFFAOYSA-N -1 3 350.363 3.179 20 0 FGADHM COC(=O)c1sccc1[N-]C(=O)c1csc(-c2ncccc2F)n1 ZINC000512936362 502818378 /nfs/dbraw/zinc/81/83/78/502818378.db2.gz VTXNNXSVJRVLBO-UHFFFAOYSA-N -1 3 363.395 3.445 20 0 FGADHM COc1cccc(Cc2nnc([N-]C(=O)c3ncc(C)cc3OC)s2)c1 ZINC000488858433 502826814 /nfs/dbraw/zinc/82/68/14/502826814.db2.gz QQOCIRADPKCGGJ-UHFFFAOYSA-N -1 3 370.434 3.102 20 0 FGADHM CN(C)[C@@H](C[N-]S(=O)(=O)c1cc(F)ccc1Cl)c1ccsc1 ZINC000488884968 502831357 /nfs/dbraw/zinc/83/13/57/502831357.db2.gz KMVXOMSZRJGIDQ-ZDUSSCGKSA-N -1 3 362.879 3.122 20 0 FGADHM CCOc1cc(C(=O)N(C)C)ccc1NC(=O)c1cc(-c2ccco2)[n-]n1 ZINC000488883612 502831732 /nfs/dbraw/zinc/83/17/32/502831732.db2.gz ZSFSJTNLFPKYDV-UHFFFAOYSA-N -1 3 368.393 3.023 20 0 FGADHM CCOc1cc(C(=O)N(C)C)ccc1NC(=O)c1cc(-c2ccco2)n[n-]1 ZINC000488883612 502831735 /nfs/dbraw/zinc/83/17/35/502831735.db2.gz ZSFSJTNLFPKYDV-UHFFFAOYSA-N -1 3 368.393 3.023 20 0 FGADHM CC[C@H]1CCCC[C@@H]1N(C)C(=O)C(=O)[N-]c1scc(C)c1C(=O)OC ZINC000500702145 502843031 /nfs/dbraw/zinc/84/30/31/502843031.db2.gz ZDHSFXQCXQQAAU-STQMWFEESA-N -1 3 366.483 3.209 20 0 FGADHM CCCOc1nc(C(=O)Nc2cccc(-c3nnn[n-]3)c2)cc2ccccc21 ZINC000513102241 502852540 /nfs/dbraw/zinc/85/25/40/502852540.db2.gz JZGDPMQLAACONG-UHFFFAOYSA-N -1 3 374.404 3.456 20 0 FGADHM CCCOc1nc(C(=O)Nc2cccc(-c3nn[n-]n3)c2)cc2ccccc21 ZINC000513102241 502852543 /nfs/dbraw/zinc/85/25/43/502852543.db2.gz JZGDPMQLAACONG-UHFFFAOYSA-N -1 3 374.404 3.456 20 0 FGADHM Cc1c(Cl)cc(F)c([N-]S(=O)(=O)c2cccc3c2OCO3)c1F ZINC000509226969 502854410 /nfs/dbraw/zinc/85/44/10/502854410.db2.gz XOXCVKIGHLDTCD-UHFFFAOYSA-N -1 3 361.753 3.456 20 0 FGADHM O=S(=O)([N-]CCOc1ccccc1)c1ccc(F)cc1C(F)(F)F ZINC000489002814 502858187 /nfs/dbraw/zinc/85/81/87/502858187.db2.gz NCSWYHYJHCBKRN-UHFFFAOYSA-N -1 3 363.332 3.202 20 0 FGADHM CCCn1c(=O)[n-]nc1S(=O)(=O)[C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000489052499 502868895 /nfs/dbraw/zinc/86/88/95/502868895.db2.gz JMLMDEWZDTUHMC-LBPRGKRZSA-N -1 3 351.472 3.226 20 0 FGADHM CCC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(N(C)C)nc2)c1 ZINC000582638834 506339582 /nfs/dbraw/zinc/33/95/82/506339582.db2.gz HANHAAMLNMCPRL-UHFFFAOYSA-N -1 3 367.858 3.195 20 0 FGADHM CC[C@H](C)[C@](C)(O)C[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000509428126 502900184 /nfs/dbraw/zinc/90/01/84/502900184.db2.gz BPJVMWUVPLOLET-TVQRCGJNSA-N -1 3 373.824 3.434 20 0 FGADHM COc1c2ccccc2[nH]c1C(=O)Nc1cc(C)ccc1[N-]S(C)(=O)=O ZINC000513329321 502905722 /nfs/dbraw/zinc/90/57/22/502905722.db2.gz MJZGPQFQWMTSOD-UHFFFAOYSA-N -1 3 373.434 3.109 20 0 FGADHM CC[C@H]1NC(=O)N(c2cccc(NCc3c(F)ccc([O-])c3F)c2)C1=O ZINC000513385987 502922476 /nfs/dbraw/zinc/92/24/76/502922476.db2.gz DIZUAUAADBOTLG-CQSZACIVSA-N -1 3 361.348 3.117 20 0 FGADHM NC(=O)Cc1occc1C(=O)[N-]c1cc(F)ccc1SCC(F)F ZINC000513398788 502927146 /nfs/dbraw/zinc/92/71/46/502927146.db2.gz ZTGHKAXPBZEVDP-UHFFFAOYSA-N -1 3 358.341 3.056 20 0 FGADHM 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COC(=O)c1ccsc1[N-]C(=O)C(=O)N1CC[C@H](C(C)(C)C)C[C@@H]1C ZINC000511307060 503297710 /nfs/dbraw/zinc/29/77/10/503297710.db2.gz KTYCHVCVGNHDIV-RYUDHWBXSA-N -1 3 366.483 3.146 20 0 FGADHM O=S(=O)([N-]Cc1cnn2ccccc12)c1c(Cl)cccc1Cl ZINC000511318100 503299210 /nfs/dbraw/zinc/29/92/10/503299210.db2.gz AMDAOUXUHFOQIT-UHFFFAOYSA-N -1 3 356.234 3.120 20 0 FGADHM CCN(Cc1ccc(Cl)cc1)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000498981782 503308736 /nfs/dbraw/zinc/30/87/36/503308736.db2.gz MIBCUGYKXWATIX-UHFFFAOYSA-N -1 3 366.870 3.374 20 0 FGADHM O=S(=O)(Cc1ccccc1F)[N-]Cc1coc(-c2cccs2)n1 ZINC000507500023 503310071 /nfs/dbraw/zinc/31/00/71/503310071.db2.gz WFDURHHAOGHFCL-UHFFFAOYSA-N -1 3 352.412 3.162 20 0 FGADHM Cc1nccn1-c1ccc([C@@H](C)NC(=O)c2cc(F)cc3nn[n-]c32)cc1 ZINC000503003048 503321807 /nfs/dbraw/zinc/32/18/07/503321807.db2.gz RIFWETWNWNRZAO-LLVKDONJSA-N -1 3 364.384 3.082 20 0 FGADHM Cc1nccn1-c1ccc([C@@H](C)NC(=O)c2cc(F)cc3[n-]nnc32)cc1 ZINC000503003048 503321809 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FGADHM O=S(=O)([N-]CC1(O)CCCC1)c1cc(Cl)ccc1OCCC1CC1 ZINC000491594661 503322221 /nfs/dbraw/zinc/32/22/21/503322221.db2.gz SFTNMICNEOVQGO-UHFFFAOYSA-N -1 3 373.902 3.102 20 0 FGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CCc3ccccc32)c(Cl)c1 ZINC000507568114 503324489 /nfs/dbraw/zinc/32/44/89/503324489.db2.gz QBOQLAJRDFOLBK-HNNXBMFYSA-N -1 3 365.838 3.092 20 0 FGADHM CCCS(=O)(=O)[N-]c1ccc(-c2nc(C3CCSCC3)no2)cc1 ZINC000515364441 503324565 /nfs/dbraw/zinc/32/45/65/503324565.db2.gz MAHJXOIQPCVFCL-UHFFFAOYSA-N -1 3 367.496 3.499 20 0 FGADHM Cc1nc([C@@](C)([N-]S(=O)(=O)c2c(C)c(C)cc(C)c2C)C2CC2)no1 ZINC000515401734 503331056 /nfs/dbraw/zinc/33/10/56/503331056.db2.gz RUIJNDGKFZCGIY-SFHVURJKSA-N -1 3 363.483 3.215 20 0 FGADHM COc1cc(F)c(NC(=O)c2c[n-]c3c(C)cccc3c2=O)cc1OC ZINC000515472695 503345666 /nfs/dbraw/zinc/34/56/66/503345666.db2.gz PGONRCDSXQRHKJ-UHFFFAOYSA-N -1 3 356.353 3.245 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)c1c(F)cccc1F ZINC000515516995 503356477 /nfs/dbraw/zinc/35/64/77/503356477.db2.gz AYWJZSPTIQXFQO-SSDOTTSWSA-N -1 3 351.296 3.422 20 0 FGADHM O=S(=O)(Cc1cc(F)c(C(F)(F)F)cc1F)c1nc2c([n-]1)CCC2 ZINC000515545794 503363235 /nfs/dbraw/zinc/36/32/35/503363235.db2.gz GIGKZECQFCLIGA-UHFFFAOYSA-N -1 3 366.311 3.169 20 0 FGADHM O=C(NCc1ccc2sccc2c1)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000515564782 503366422 /nfs/dbraw/zinc/36/64/22/503366422.db2.gz KQWLXVUHLWOZSG-UHFFFAOYSA-N -1 3 351.387 3.107 20 0 FGADHM Cc1cc([N-]S(=O)(=O)c2ccc(F)c3ncccc23)cc2[nH]ncc21 ZINC000499264355 503368416 /nfs/dbraw/zinc/36/84/16/503368416.db2.gz MIWUJYMPFXDLCX-UHFFFAOYSA-N -1 3 356.382 3.359 20 0 FGADHM CCn1cc(S(=O)(=O)[N-][C@@H](c2ccc(F)cc2F)C(C)C)nc1C ZINC000503230739 503372222 /nfs/dbraw/zinc/37/22/22/503372222.db2.gz GWYBAODYMNQGKH-MRXNPFEDSA-N -1 3 357.426 3.165 20 0 FGADHM O=C(CNC(=O)c1ccc([O-])cc1)N[C@@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000515611413 503373224 /nfs/dbraw/zinc/37/32/24/503373224.db2.gz CXKFKEINLKMXOD-NVXWUHKLSA-N -1 3 372.852 3.228 20 0 FGADHM C[C@H](CCc1ccc(Br)cc1)NC(=O)c1ccc2n[n-]nc2c1 ZINC000507819491 503374273 /nfs/dbraw/zinc/37/42/73/503374273.db2.gz QDXJOLOKZZGNCC-LLVKDONJSA-N -1 3 373.254 3.472 20 0 FGADHM CCOc1cc([N-]S(=O)(=O)c2ccc(OC)c(C)c2)ccc1OC ZINC000515630672 503376462 /nfs/dbraw/zinc/37/64/62/503376462.db2.gz DXTBOIRIIFKZPK-UHFFFAOYSA-N -1 3 351.424 3.212 20 0 FGADHM COCC1(C(=O)[O-])CCN([C@H](C)c2cccc(Br)c2)CC1 ZINC000515660315 503381894 /nfs/dbraw/zinc/38/18/94/503381894.db2.gz VXXVJXQCSYPXBF-GFCCVEGCSA-N -1 3 356.260 3.323 20 0 FGADHM CCc1cccc2c1OCC[C@H]2[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000507876840 503385463 /nfs/dbraw/zinc/38/54/63/503385463.db2.gz BYRRMEPZEBYNGM-CYBMUJFWSA-N -1 3 371.380 3.468 20 0 FGADHM C[C@H]1CCCC[C@H]1CCNC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000511830523 503396656 /nfs/dbraw/zinc/39/66/56/503396656.db2.gz BXVYBCOABOTWKZ-STQMWFEESA-N -1 3 356.463 3.143 20 0 FGADHM COc1cc(NC(=O)Cc2ccc(Br)cc2[O-])ccc1O ZINC000511892407 503409181 /nfs/dbraw/zinc/40/91/81/503409181.db2.gz KTBODDWXJZPKAZ-UHFFFAOYSA-N -1 3 352.184 3.050 20 0 FGADHM CC(C)Oc1ccc(NC(=O)c2cnc3c(cnn3C)c2[O-])cc1Cl ZINC000511972359 503426411 /nfs/dbraw/zinc/42/64/11/503426411.db2.gz MGNPBOJEKVXOSE-UHFFFAOYSA-N -1 3 360.801 3.367 20 0 FGADHM O=S(=O)([N-]c1cncc(Cl)c1Br)c1cccc(F)c1 ZINC000508085301 503427511 /nfs/dbraw/zinc/42/75/11/503427511.db2.gz PCIOSRJZBQMNGO-UHFFFAOYSA-N -1 3 365.611 3.437 20 0 FGADHM CC(C)Oc1cc(F)ccc1NC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000493484297 503429923 /nfs/dbraw/zinc/42/99/23/503429923.db2.gz ULLPNQWMPGWMKH-UHFFFAOYSA-N -1 3 366.414 3.237 20 0 FGADHM COc1ccccc1-c1nc(NC(=O)CCC(=O)c2cccc(F)c2)n[n-]1 ZINC000503535189 503432348 /nfs/dbraw/zinc/43/23/48/503432348.db2.gz FELLVMQKGUESGH-UHFFFAOYSA-N -1 3 368.368 3.221 20 0 FGADHM O=C(Nc1cccc2c1CN(c1ccccn1)C2)c1cc(F)cc2[n-]nnc21 ZINC000503543494 503433975 /nfs/dbraw/zinc/43/39/75/503433975.db2.gz NLNVFAPDFTXCLS-UHFFFAOYSA-N -1 3 374.379 3.265 20 0 FGADHM O=C(Nc1cccc2c1CN(c1ccccn1)C2)c1cc(F)cc2nn[n-]c21 ZINC000503543494 503433976 /nfs/dbraw/zinc/43/39/76/503433976.db2.gz NLNVFAPDFTXCLS-UHFFFAOYSA-N -1 3 374.379 3.265 20 0 FGADHM O=C(Nc1cccc2c1CN(c1ccccn1)C2)c1cc(F)cc2n[n-]nc21 ZINC000503543494 503433977 /nfs/dbraw/zinc/43/39/77/503433977.db2.gz NLNVFAPDFTXCLS-UHFFFAOYSA-N -1 3 374.379 3.265 20 0 FGADHM C[C@@H](CC(=O)[O-])CC(=O)N[C@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000516087759 503444072 /nfs/dbraw/zinc/44/40/72/503444072.db2.gz AIGSNEFZEAUCRK-CRAIPNDOSA-N -1 3 360.498 3.077 20 0 FGADHM CN(CCCOCc1ccccc1)Cc1c([O-])nnn1-c1ccccc1 ZINC000499629503 503446377 /nfs/dbraw/zinc/44/63/77/503446377.db2.gz ZWTZDGDDSNJFED-UHFFFAOYSA-N -1 3 352.438 3.012 20 0 FGADHM CC(C)N(C)c1ccccc1NC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000508240383 503461001 /nfs/dbraw/zinc/46/10/01/503461001.db2.gz MSHHEHGNEWKOIG-UHFFFAOYSA-N -1 3 361.467 3.155 20 0 FGADHM CC(=O)c1cccc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)c1[O-] ZINC000516171564 503461625 /nfs/dbraw/zinc/46/16/25/503461625.db2.gz QHFBDWVFASYDES-UHFFFAOYSA-N -1 3 357.381 3.421 20 0 FGADHM Cc1cc(C(=O)N2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)ccc1[O-] ZINC000499811607 503487210 /nfs/dbraw/zinc/48/72/10/503487210.db2.gz LAKVZHCUEMTVEE-CQSZACIVSA-N -1 3 373.840 3.240 20 0 FGADHM O=C(Cc1cccc2ccccc21)NCCCNC(=O)c1cccc([O-])c1 ZINC000508398129 503487642 /nfs/dbraw/zinc/48/76/42/503487642.db2.gz MMFWFSIJAXPQQT-UHFFFAOYSA-N -1 3 362.429 3.024 20 0 FGADHM Cc1ccc(C[C@@H]2CCCN(C(=O)c3cc(=O)[n-]c(C4CC4)n3)C2)cc1 ZINC000516310004 503492621 /nfs/dbraw/zinc/49/26/21/503492621.db2.gz BUJSWTYLYFMFCU-INIZCTEOSA-N -1 3 351.450 3.463 20 0 FGADHM Cc1cc(C(=O)NC[C@@H](c2cccc(Cl)c2)N2CCOCC2)ccc1[O-] ZINC000499847117 503493928 /nfs/dbraw/zinc/49/39/28/503493928.db2.gz LDBBBCPQPGWZDA-SFHVURJKSA-N -1 3 374.868 3.157 20 0 FGADHM Cc1ccc(NC(=O)C2CC2)cc1NC(=O)c1cc(F)cc2[n-]nnc21 ZINC000503992251 503506320 /nfs/dbraw/zinc/50/63/20/503506320.db2.gz JQIJCGBONIHBBP-UHFFFAOYSA-N -1 3 353.357 3.006 20 0 FGADHM Cc1ccc(NC(=O)C2CC2)cc1NC(=O)c1cc(F)cc2nn[n-]c21 ZINC000503992251 503506325 /nfs/dbraw/zinc/50/63/25/503506325.db2.gz JQIJCGBONIHBBP-UHFFFAOYSA-N -1 3 353.357 3.006 20 0 FGADHM Cc1ccc(NC(=O)C2CC2)cc1NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000503992251 503506329 /nfs/dbraw/zinc/50/63/29/503506329.db2.gz JQIJCGBONIHBBP-UHFFFAOYSA-N -1 3 353.357 3.006 20 0 FGADHM COC(=O)c1ccc(S(=O)(=O)[N-]CCCc2ccc(Cl)cc2)s1 ZINC000503995153 503508077 /nfs/dbraw/zinc/50/80/77/503508077.db2.gz WEZALHQZLKAZQG-UHFFFAOYSA-N -1 3 373.883 3.099 20 0 FGADHM COc1cc([C@@H](C)NC(=O)c2cc(F)cc3nn[n-]c32)ccc1OC(C)C ZINC000504000679 503508860 /nfs/dbraw/zinc/50/88/60/503508860.db2.gz DMLSUZQXEWBDRU-LLVKDONJSA-N -1 3 372.400 3.384 20 0 FGADHM COc1cc([C@@H](C)NC(=O)c2cc(F)cc3[n-]nnc32)ccc1OC(C)C ZINC000504000679 503508864 /nfs/dbraw/zinc/50/88/64/503508864.db2.gz DMLSUZQXEWBDRU-LLVKDONJSA-N -1 3 372.400 3.384 20 0 FGADHM COc1cc([C@@H](C)NC(=O)c2cc(F)cc3n[n-]nc32)ccc1OC(C)C ZINC000504000679 503508871 /nfs/dbraw/zinc/50/88/71/503508871.db2.gz DMLSUZQXEWBDRU-LLVKDONJSA-N -1 3 372.400 3.384 20 0 FGADHM CC(=O)c1cccc(O[C@H](C)C(=O)N=c2cc(-c3ccccc3C)[n-][nH]2)c1 ZINC000512324784 503519518 /nfs/dbraw/zinc/51/95/18/503519518.db2.gz IGRNONRKSYELCX-OAHLLOKOSA-N -1 3 363.417 3.416 20 0 FGADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@@H]2CCC(C)(C)O2)s1 ZINC000494337105 503527194 /nfs/dbraw/zinc/52/71/94/503527194.db2.gz ZNJGKSWRPIIULL-VIFPVBQESA-N -1 3 368.318 3.055 20 0 FGADHM O=C(c1cncc(-c2ccc(Cl)cc2)c1)N1CCc2c(=O)[n-]cnc2C1 ZINC000504138989 503529128 /nfs/dbraw/zinc/52/91/28/503529128.db2.gz PYXUNUIWWOTASH-UHFFFAOYSA-N -1 3 366.808 3.096 20 0 FGADHM Cc1cccc([C@@H](NC(=O)c2cnc3c(cnn3C)c2[O-])C(F)(F)F)c1 ZINC000512471222 503563265 /nfs/dbraw/zinc/56/32/65/503563265.db2.gz GQLWEOCXTFLGSW-CQSZACIVSA-N -1 3 364.327 3.016 20 0 FGADHM COc1ccc([C@@H]([N-]S(=O)(=O)c2ccoc2)c2ccc(F)cc2)cc1 ZINC000508788540 503565051 /nfs/dbraw/zinc/56/50/51/503565051.db2.gz GZALQXBNULQCQM-SFHVURJKSA-N -1 3 361.394 3.495 20 0 FGADHM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-][C@H](C)c2cnn(C)c2)c1Cl ZINC000608026838 506380306 /nfs/dbraw/zinc/38/03/06/506380306.db2.gz DPHGGRPKZDUEHS-SNVBAGLBSA-N -1 3 362.282 3.383 20 0 FGADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N1CCC[C@@H]1/C=C\c1ccccc1 ZINC000504522100 503583289 /nfs/dbraw/zinc/58/32/89/503583289.db2.gz RIKJXLPYWLLKIA-SIJIIQCFSA-N -1 3 361.401 3.280 20 0 FGADHM C[C@@H]1CCCC[C@@H]1CC(=O)Nc1cc(N2CCCS2(=O)=O)ccc1[O-] ZINC000516842673 503598317 /nfs/dbraw/zinc/59/83/17/503598317.db2.gz QOEZGCMTQNZIKQ-ZIAGYGMSSA-N -1 3 366.483 3.087 20 0 FGADHM Cc1cc(Cl)ccc1O[C@H](C)C(=O)N=c1cc(-c2ccncc2)[n-][nH]1 ZINC000588926469 506383052 /nfs/dbraw/zinc/38/30/52/506383052.db2.gz KMXSQGVJPGTIDF-GFCCVEGCSA-N -1 3 356.813 3.261 20 0 FGADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)COc2cccc(C)c2)[nH][n-]1 ZINC000512854555 503645853 /nfs/dbraw/zinc/64/58/53/503645853.db2.gz KBYPGKWUGHNRRN-UHFFFAOYSA-N -1 3 371.824 3.487 20 0 FGADHM CN(C)[C@]1(CN=c2[n-]nc(-c3ccccc3Cl)s2)CCSC1 ZINC000546181739 503661179 /nfs/dbraw/zinc/66/11/79/503661179.db2.gz GLFDCGJNZXKNGO-HNNXBMFYSA-N -1 3 354.932 3.130 20 0 FGADHM 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/nfs/dbraw/zinc/69/39/67/503693967.db2.gz KCQASOIZJODHTR-KRWDZBQOSA-N -1 3 356.813 3.146 20 0 FGADHM O=C(NC[C@H](OCc1ccccc1)c1ccc(Cl)cc1)c1cnn[n-]1 ZINC000517253129 503693970 /nfs/dbraw/zinc/69/39/70/503693970.db2.gz KCQASOIZJODHTR-KRWDZBQOSA-N -1 3 356.813 3.146 20 0 FGADHM O=C(NC[C@H](OCc1ccccc1)c1ccc(Cl)cc1)c1cn[n-]n1 ZINC000517253129 503693976 /nfs/dbraw/zinc/69/39/76/503693976.db2.gz KCQASOIZJODHTR-KRWDZBQOSA-N -1 3 356.813 3.146 20 0 FGADHM CCN=c1[n-]c(C(=O)N[C@@H](C)c2ccc(OC(C)C)c(OC)c2)cs1 ZINC000495186545 503694285 /nfs/dbraw/zinc/69/42/85/503694285.db2.gz BNEPXVRGCGYKRY-LBPRGKRZSA-N -1 3 363.483 3.284 20 0 FGADHM CS(=O)(=O)[N-]c1ccc(-c2noc([C@H](F)Cc3ccccc3)n2)cc1 ZINC000546299684 503703582 /nfs/dbraw/zinc/70/35/82/503703582.db2.gz MOJZBISBANDFKD-OAHLLOKOSA-N -1 3 361.398 3.361 20 0 FGADHM c1coc(-c2cc(-c3nc(-c4ccc(Cn5cncn5)cc4)no3)[n-]n2)c1 ZINC000546304025 503705539 /nfs/dbraw/zinc/70/55/39/503705539.db2.gz YQNNLICROAQYDB-UHFFFAOYSA-N -1 3 359.349 3.027 20 0 FGADHM 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CCOCC(C)(C)[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000559106939 504783093 /nfs/dbraw/zinc/78/30/93/504783093.db2.gz PBXJLJQPYURBCE-UHFFFAOYSA-N -1 3 370.696 3.196 20 0 FGADHM c1sc(-c2ccccn2)nc1Cc1nc(-c2ccc3n[n-]nc3c2)no1 ZINC000562321934 504783553 /nfs/dbraw/zinc/78/35/53/504783553.db2.gz FXAVIQSVTITGBX-UHFFFAOYSA-N -1 3 361.390 3.117 20 0 FGADHM C[C@H]1CCCN(Cc2csc(NC(=O)c3cc(=O)[n-]c(C4CC4)n3)n2)C1 ZINC000552906343 504786092 /nfs/dbraw/zinc/78/60/92/504786092.db2.gz YYJBGLJLZGLDGB-NSHDSACASA-N -1 3 373.482 3.000 20 0 FGADHM CCOc1ccccc1OCCN(CC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000565102665 504794387 /nfs/dbraw/zinc/79/43/87/504794387.db2.gz BHFLJKCPCBPXOL-UHFFFAOYSA-N -1 3 365.376 3.329 20 0 FGADHM C[C@@H]1CC[C@H](Sc2nc(C3CC3)nc3c2c(=O)[n-]c(=O)n3C2CC2)C1 ZINC000549339615 504795619 /nfs/dbraw/zinc/79/56/19/504795619.db2.gz PCAAKVBJDLULAC-SKDRFNHKSA-N -1 3 358.467 3.385 20 0 FGADHM CN(Cc1cc([O-])cc(C(F)(F)F)c1)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000565135355 504805145 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Cc1ccc2nc([N-]S(=O)(=O)c3ccc(CN(C)C)cc3)sc2c1 ZINC000556306426 504841830 /nfs/dbraw/zinc/84/18/30/504841830.db2.gz ZNZGVLONQKEVQI-UHFFFAOYSA-N -1 3 361.492 3.467 20 0 FGADHM CC(C)[C@](C)(Cc1ccc(Cl)cc1)[N-]S(=O)(=O)c1cn(C)cn1 ZINC000549544964 504846851 /nfs/dbraw/zinc/84/68/51/504846851.db2.gz RXOZTTDAJTVQCJ-INIZCTEOSA-N -1 3 355.891 3.009 20 0 FGADHM CCOc1nc2cc(C(=O)N3CCO[C@@H](c4ccccc4C)C3)ccc2[n-]1 ZINC000562524973 504847046 /nfs/dbraw/zinc/84/70/46/504847046.db2.gz AGWDSKCXAQXWAU-LJQANCHMSA-N -1 3 365.433 3.484 20 0 FGADHM CCOc1nc2ccc(C(=O)N3CCO[C@@H](c4ccccc4C)C3)cc2[n-]1 ZINC000562524973 504847052 /nfs/dbraw/zinc/84/70/52/504847052.db2.gz AGWDSKCXAQXWAU-LJQANCHMSA-N -1 3 365.433 3.484 20 0 FGADHM COC(=O)c1ccc(C(=O)Nc2cc(F)ccc2Sc2nccn2C)[n-]1 ZINC000559371700 504849485 /nfs/dbraw/zinc/84/94/85/504849485.db2.gz OSSOGDWMQGFVFM-UHFFFAOYSA-N -1 3 374.397 3.077 20 0 FGADHM C[C@H]1CCC[C@]1(O)C[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000549557289 504850104 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Cc1ccccc1-c1cc(NC(=O)c2cc([O-])ccc2Cl)n(CCO)n1 ZINC000559479418 504871617 /nfs/dbraw/zinc/87/16/17/504871617.db2.gz NEUOMXRJTNXKOB-UHFFFAOYSA-N -1 3 371.824 3.462 20 0 FGADHM COC(=O)c1ccc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)cc1C ZINC000553287615 504873500 /nfs/dbraw/zinc/87/35/00/504873500.db2.gz YUYIQWJEMPVGGJ-UHFFFAOYSA-N -1 3 368.364 3.323 20 0 FGADHM COc1cc(-n2cccc2)c(Cl)cc1C(=O)N=c1cc2ccccn2[n-]1 ZINC000553332301 504886274 /nfs/dbraw/zinc/88/62/74/504886274.db2.gz WRPKTHIUZPZANF-UHFFFAOYSA-N -1 3 366.808 3.461 20 0 FGADHM O=C(NCCCO[C@H]1CCCc2ccccc21)c1cc(=O)[n-]c(C2CC2)n1 ZINC000565439132 504887405 /nfs/dbraw/zinc/88/74/05/504887405.db2.gz DHXBIIDBHPWWNX-SFHVURJKSA-N -1 3 367.449 3.274 20 0 FGADHM O=S(=O)([N-]CCc1cccc(Cl)c1)c1cccnc1C(F)(F)F ZINC000553436225 504914228 /nfs/dbraw/zinc/91/42/28/504914228.db2.gz NZHUHLATFYNEOB-UHFFFAOYSA-N -1 3 364.776 3.275 20 0 FGADHM C[C@H](Cc1ccsc1)[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000553464474 504921894 /nfs/dbraw/zinc/92/18/94/504921894.db2.gz 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[O-]c1ccc(C(F)(F)F)c(-c2nc(Cc3nc4cccnc4[nH]3)no2)c1 ZINC000565624166 504940309 /nfs/dbraw/zinc/94/03/09/504940309.db2.gz ATUFGZJHJSUYER-UHFFFAOYSA-N -1 3 361.283 3.323 20 0 FGADHM Cc1ccc2nc(-c3cc(F)c(N4CCOCC4)c(F)c3)[n-]c(=O)c2c1 ZINC000565645908 504947042 /nfs/dbraw/zinc/94/70/42/504947042.db2.gz MVXMUGPHOYYFQS-UHFFFAOYSA-N -1 3 357.360 3.426 20 0 FGADHM COC(=O)C[C@@H]([N-]S(=O)(=O)c1ccoc1)c1cccc2ccccc21 ZINC000553569325 504951715 /nfs/dbraw/zinc/95/17/15/504951715.db2.gz ATLGPUQGMRWMPF-QGZVFWFLSA-N -1 3 359.403 3.016 20 0 FGADHM CN(C)CCc1ccccc1[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000559961189 504958589 /nfs/dbraw/zinc/95/85/89/504958589.db2.gz QGSWAKVWKXUBAL-UHFFFAOYSA-N -1 3 356.850 3.384 20 0 FGADHM CCN1CCC(N(C)C(=O)c2nn(-c3cccc(C(C)C)c3)cc2[O-])CC1 ZINC000550141059 504976250 /nfs/dbraw/zinc/97/62/50/504976250.db2.gz NWSAQTUEQBKQKB-UHFFFAOYSA-N -1 3 370.497 3.258 20 0 FGADHM CCOCCCC[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000560041908 504976915 /nfs/dbraw/zinc/97/69/15/504976915.db2.gz 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HVPKJPAXMZMJBN-UHFFFAOYSA-N -1 3 352.394 3.200 20 0 FGADHM CC(=O)c1cccc(NC(=O)CSCc2cn3cc(C)ccc3n2)c1[O-] ZINC000563910801 505273701 /nfs/dbraw/zinc/27/37/01/505273701.db2.gz QZVXYATWGXEGFR-UHFFFAOYSA-N -1 3 369.446 3.423 20 0 FGADHM C[C@@H]1CN(C(=O)c2ccc(C(=O)c3cccc([O-])c3)cc2)CC2(CCC2)O1 ZINC000563959896 505288798 /nfs/dbraw/zinc/28/87/98/505288798.db2.gz LIGCLASMQDSHOA-OAHLLOKOSA-N -1 3 365.429 3.407 20 0 FGADHM CC(C)COCCN(CCC(=O)[O-])Cc1cccc(Br)c1 ZINC000566860602 505293287 /nfs/dbraw/zinc/29/32/87/505293287.db2.gz RBAHQCIHXGAHJM-UHFFFAOYSA-N -1 3 358.276 3.398 20 0 FGADHM CCOc1cc(O)ccc1NC(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000561291495 505305754 /nfs/dbraw/zinc/30/57/54/505305754.db2.gz CXMFJBSQFNHACY-UHFFFAOYSA-N -1 3 356.353 3.332 20 0 FGADHM CCc1oc(C(=O)[N-]c2c(C)csc2C(=O)OC)cc1C(=O)OC ZINC000554959903 505312906 /nfs/dbraw/zinc/31/29/06/505312906.db2.gz UEUOZQKAJTWBRE-UHFFFAOYSA-N -1 3 351.380 3.037 20 0 FGADHM CC[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1OC 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3.249 20 0 FGADHM CC(C)c1ccc([C@H](C)CC(=O)N2CCC[C@H]2c2nc(=N)n(C)[n-]2)cc1 ZINC000558401972 505378368 /nfs/dbraw/zinc/37/83/68/505378368.db2.gz XKUATVMLIFJUJI-PBHICJAKSA-N -1 3 355.486 3.208 20 0 FGADHM CC(C)c1cc(C(=O)NCCCn2cccnc2=O)c([O-])c(C(C)C)c1 ZINC000558412149 505380815 /nfs/dbraw/zinc/38/08/15/505380815.db2.gz WNGSGTLQBRTYPH-UHFFFAOYSA-N -1 3 357.454 3.016 20 0 FGADHM CCc1cccc(C(=O)N[C@@H](Cc2nc(C)no2)c2ccccc2)c1[O-] ZINC000567174552 505385958 /nfs/dbraw/zinc/38/59/58/505385958.db2.gz AHBGRYYCAXTFOQ-KRWDZBQOSA-N -1 3 351.406 3.360 20 0 FGADHM CCN(Cc1ccc2ccccc2c1)C(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000555236036 505387071 /nfs/dbraw/zinc/38/70/71/505387071.db2.gz NPDDCFWFUPELGM-UHFFFAOYSA-N -1 3 350.422 3.064 20 0 FGADHM Cc1ncc(CN(CCc2ccc(Cl)cc2Cl)CC(=O)[O-])cn1 ZINC000564337144 505388423 /nfs/dbraw/zinc/38/84/23/505388423.db2.gz NGPDPGZPPWRQKV-UHFFFAOYSA-N -1 3 354.237 3.221 20 0 FGADHM CC(=O)c1cccc(NC(=O)[C@H]2C[C@@H]2c2ccc3c(c2)OCCO3)c1[O-] ZINC000552069472 505389963 /nfs/dbraw/zinc/38/99/63/505389963.db2.gz VWNMBAJYVYRWAA-CABCVRRESA-N -1 3 353.374 3.108 20 0 FGADHM CC(C)c1ccc([C@@H]2CCCN2C(=O)c2cc(=O)[n-]c(N(C)C)n2)cc1 ZINC000555247273 505390082 /nfs/dbraw/zinc/39/00/82/505390082.db2.gz AVKFNAKJAJHSEI-KRWDZBQOSA-N -1 3 354.454 3.349 20 0 FGADHM COc1ccccc1SC[C@@H](C)CNC(=O)N=c1cc2ccccn2[n-]1 ZINC000558464181 505397853 /nfs/dbraw/zinc/39/78/53/505397853.db2.gz WZCRULVRIQJQCQ-AWEZNQCLSA-N -1 3 370.478 3.315 20 0 FGADHM CC(C)[C@@H](NC(=O)N=c1cc2ccccn2[n-]1)c1ccc2c(c1)OCCO2 ZINC000558478420 505403029 /nfs/dbraw/zinc/40/30/29/505403029.db2.gz FMRLJMOMRCVOAF-LJQANCHMSA-N -1 3 366.421 3.046 20 0 FGADHM CCOCc1nc([C@@H](C)[N-]S(=O)(=O)c2ccc(C(C)(C)C)s2)no1 ZINC000558480964 505404077 /nfs/dbraw/zinc/40/40/77/505404077.db2.gz XAQZUSBADNGOTB-SNVBAGLBSA-N -1 3 373.500 3.005 20 0 FGADHM CC(C)n1c(CCNC(=O)c2c[n-]nc2-c2ccccn2)nc2ccccc21 ZINC000558530329 505417436 /nfs/dbraw/zinc/41/74/36/505417436.db2.gz UBAGRISRGURSTG-UHFFFAOYSA-N -1 3 374.448 3.375 20 0 FGADHM Cc1nc([C@@](C)([N-]S(=O)(=O)Cc2ccc(C(F)F)cc2)C2CC2)no1 ZINC000555367378 505418571 /nfs/dbraw/zinc/41/85/71/505418571.db2.gz BGOKAJHLLZDJEB-INIZCTEOSA-N -1 3 371.409 3.060 20 0 FGADHM CCOCC(C)(C)[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000555378309 505421699 /nfs/dbraw/zinc/42/16/99/505421699.db2.gz LFJVZPMJKDYVNR-UHFFFAOYSA-N -1 3 370.696 3.196 20 0 FGADHM O=S(=O)([N-][C@]1(Cc2ccc(Cl)cc2)CCOC1)c1cccs1 ZINC000558572960 505427853 /nfs/dbraw/zinc/42/78/53/505427853.db2.gz DPSKCBVWTGYDKG-HNNXBMFYSA-N -1 3 357.884 3.082 20 0 FGADHM Cc1cc(Cl)ccc1O[C@@H](C)C(=O)[N-]c1ncnn1-c1ccccc1 ZINC000555515004 505444170 /nfs/dbraw/zinc/44/41/70/505444170.db2.gz JFBIWEJZKGEZGR-ZDUSSCGKSA-N -1 3 356.813 3.057 20 0 FGADHM O=C(c1cc(F)cc2[n-]nnc21)N1CCCC[C@@H]1Cc1ccc(F)cc1 ZINC000558629261 505444784 /nfs/dbraw/zinc/44/47/84/505444784.db2.gz IVVVDFKDULJGHT-OAHLLOKOSA-N -1 3 356.376 3.474 20 0 FGADHM O=C(c1cc(F)cc2nn[n-]c21)N1CCCC[C@@H]1Cc1ccc(F)cc1 ZINC000558629261 505444787 /nfs/dbraw/zinc/44/47/87/505444787.db2.gz 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/nfs/dbraw/zinc/89/37/76/520893776.db2.gz GNTZQYYPFMEDDE-CQSZACIVSA-N -1 3 361.467 3.245 20 0 FGADHM COc1cccc(N=c2[n-]nc([C@@H]3CN4CCC[C@@H]4CO3)n2CC(C)C)c1 ZINC000611815148 521348565 /nfs/dbraw/zinc/34/85/65/521348565.db2.gz WFNIKKBBUBKJKL-AEFFLSMTSA-N -1 3 371.485 3.222 20 0 FGADHM COc1cc(=NC(=O)c2c(C)cc(C)c(Br)c2C)[n-]n1C ZINC000626500383 522234230 /nfs/dbraw/zinc/23/42/30/522234230.db2.gz APOQOBDBLBICTQ-UHFFFAOYSA-N -1 3 352.232 3.369 20 0 FGADHM CCN(CC)Cc1ccc(C(=O)N=c2[n-]nc([C@H]3CCCO3)s2)cc1 ZINC000636352432 522939834 /nfs/dbraw/zinc/93/98/34/522939834.db2.gz JYGDLZLMZZWCQH-OAHLLOKOSA-N -1 3 360.483 3.484 20 0 FGADHM CC(C)Cn1c(CC2CC2)n[n-]c1=Nc1cnn(C2CCN(C)CC2)c1 ZINC000634431583 523398163 /nfs/dbraw/zinc/39/81/63/523398163.db2.gz JSZUKZKBESYASC-UHFFFAOYSA-N -1 3 357.506 3.093 20 0 FGADHM O=C(CN1CCCCCCC1=O)N=c1cc(-c2cccc(Cl)c2)[n-][nH]1 ZINC000622891170 523532484 /nfs/dbraw/zinc/53/24/84/523532484.db2.gz JLGBHGSCEITZSA-UHFFFAOYSA-N -1 3 360.845 3.461 20 0 FGADHM CN1CCC[C@H]1C(=O)N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1 ZINC000517425781 562090107 /nfs/dbraw/zinc/09/01/07/562090107.db2.gz VGYLUCLCQUETSD-ZDUSSCGKSA-N -1 3 367.222 3.011 20 0 FGADHM O=C(NCc1ccc(N2CCCCC2)nc1)c1csc(=NC2CC2)[n-]1 ZINC000532277775 562472558 /nfs/dbraw/zinc/47/25/58/562472558.db2.gz LTAYZBWBQBZCHO-UHFFFAOYSA-N -1 3 357.483 3.033 20 0 FGADHM COc1cccc(CCC(=O)N=c2cc(-c3cccnc3)[n-][nH]2)c1OC ZINC000533675158 562515772 /nfs/dbraw/zinc/51/57/72/562515772.db2.gz OBCCNIKBTPQVFB-UHFFFAOYSA-N -1 3 352.394 3.060 20 0 FGADHM CCc1ccc([O-])c(C(=O)Nc2ccc(OC)c(N3CCCC3=O)c2)c1 ZINC000522756613 568041643 /nfs/dbraw/zinc/04/16/43/568041643.db2.gz QRZKBOUCXDMWMK-UHFFFAOYSA-N -1 3 354.406 3.342 20 0 FGADHM COc1cccc(S(=O)(=O)[N-][C@@H](c2nc(C)cs2)C2CC2)c1F ZINC000655526521 568157584 /nfs/dbraw/zinc/15/75/84/568157584.db2.gz RVXWDVLNIQKCHE-CQSZACIVSA-N -1 3 356.444 3.029 20 0 FGADHM COc1cccc(S(=O)(=O)[N-]C[C@@H]2SCCc3ccccc32)c1F ZINC000655532276 568394410 /nfs/dbraw/zinc/39/44/10/568394410.db2.gz VCRJAXZKJIMACJ-HNNXBMFYSA-N -1 3 367.467 3.143 20 0 FGADHM O=C(C[C@@H]1CCOC1)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737824514 598833024 /nfs/dbraw/zinc/83/30/24/598833024.db2.gz WSAPVVXOVNOLGR-ZDUSSCGKSA-N -1 3 365.393 3.024 20 0 FGADHM O=C(C[C@@H]1CCOC1)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737824514 598833026 /nfs/dbraw/zinc/83/30/26/598833026.db2.gz WSAPVVXOVNOLGR-ZDUSSCGKSA-N -1 3 365.393 3.024 20 0 FGADHM CC1CCN(c2cccc(NC(=O)c3sccc3-c3nnn[n-]3)c2)CC1 ZINC000736278601 598835442 /nfs/dbraw/zinc/83/54/42/598835442.db2.gz HVKBNJYMSSMSPF-UHFFFAOYSA-N -1 3 368.466 3.417 20 0 FGADHM CC1CCN(c2cccc(NC(=O)c3sccc3-c3nn[n-]n3)c2)CC1 ZINC000736278601 598835443 /nfs/dbraw/zinc/83/54/43/598835443.db2.gz HVKBNJYMSSMSPF-UHFFFAOYSA-N -1 3 368.466 3.417 20 0 FGADHM O=C(NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1)c1ccco1 ZINC000738112282 598836624 /nfs/dbraw/zinc/83/66/24/598836624.db2.gz OFEQVIWFTOBPGL-UHFFFAOYSA-N -1 3 351.391 3.118 20 0 FGADHM CC[C@H](c1ccncc1)N(CC)C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000736395976 598838722 /nfs/dbraw/zinc/83/87/22/598838722.db2.gz KXCHBTJNIUIZAT-GOSISDBHSA-N -1 3 364.453 3.194 20 0 FGADHM CC[C@H](c1ccncc1)N(CC)C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000736395976 598838723 /nfs/dbraw/zinc/83/87/23/598838723.db2.gz KXCHBTJNIUIZAT-GOSISDBHSA-N -1 3 364.453 3.194 20 0 FGADHM CC(C)Cc1noc(-c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)n1 ZINC000735851453 598859075 /nfs/dbraw/zinc/85/90/75/598859075.db2.gz VOBLYWQNYWSXDS-UHFFFAOYSA-N -1 3 363.381 3.303 20 0 FGADHM CC(C)Cc1noc(-c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)n1 ZINC000735851453 598859077 /nfs/dbraw/zinc/85/90/77/598859077.db2.gz VOBLYWQNYWSXDS-UHFFFAOYSA-N -1 3 363.381 3.303 20 0 FGADHM CC(C)CN(C(=O)c1cc(C(C)C)no1)c1ccc(-c2nnn[n-]2)cc1 ZINC000735819067 598862545 /nfs/dbraw/zinc/86/25/45/598862545.db2.gz QUTZHNDBQDZEBF-UHFFFAOYSA-N -1 3 354.414 3.281 20 0 FGADHM CC(C)CN(C(=O)c1cc(C(C)C)no1)c1ccc(-c2nn[n-]n2)cc1 ZINC000735819067 598862546 /nfs/dbraw/zinc/86/25/46/598862546.db2.gz QUTZHNDBQDZEBF-UHFFFAOYSA-N -1 3 354.414 3.281 20 0 FGADHM CC(C)CNC(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000735835876 598888676 /nfs/dbraw/zinc/88/86/76/598888676.db2.gz QHVLGHHXKMHPMZ-UHFFFAOYSA-N -1 3 356.455 3.050 20 0 FGADHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)c1ccccc1Cl ZINC000736037357 598889203 /nfs/dbraw/zinc/88/92/03/598889203.db2.gz GEOOBTRPSDEQTB-LLVKDONJSA-N -1 3 358.785 3.144 20 0 FGADHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)c1ccccc1Cl ZINC000736037357 598889205 /nfs/dbraw/zinc/88/92/05/598889205.db2.gz GEOOBTRPSDEQTB-LLVKDONJSA-N -1 3 358.785 3.144 20 0 FGADHM CS[C@@H](C(=O)OCc1cc(-c2nnn[n-]2)ccc1F)c1ccccc1 ZINC000737170374 598903816 /nfs/dbraw/zinc/90/38/16/598903816.db2.gz JPCSMOSEHDRYEV-OAHLLOKOSA-N -1 3 358.398 3.153 20 0 FGADHM CS[C@@H](C(=O)OCc1cc(-c2nn[n-]n2)ccc1F)c1ccccc1 ZINC000737170374 598903818 /nfs/dbraw/zinc/90/38/18/598903818.db2.gz JPCSMOSEHDRYEV-OAHLLOKOSA-N -1 3 358.398 3.153 20 0 FGADHM CS[C@H](C(=O)OCc1ccc(F)cc1-c1nnn[n-]1)c1ccccc1 ZINC000737173515 598903822 /nfs/dbraw/zinc/90/38/22/598903822.db2.gz ZBQMAMKGXJJAEG-HNNXBMFYSA-N -1 3 358.398 3.153 20 0 FGADHM CS[C@H](C(=O)OCc1ccc(F)cc1-c1nn[n-]n1)c1ccccc1 ZINC000737173515 598903824 /nfs/dbraw/zinc/90/38/24/598903824.db2.gz ZBQMAMKGXJJAEG-HNNXBMFYSA-N -1 3 358.398 3.153 20 0 FGADHM CC[C@@H]1c2ccccc2CCN1C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000736404740 598907489 /nfs/dbraw/zinc/90/74/89/598907489.db2.gz AGCKMWFSQKCODY-TZZQJPOUSA-N -1 3 359.433 3.416 20 0 FGADHM CC[C@@H]1c2ccccc2CCN1C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000736404740 598907491 /nfs/dbraw/zinc/90/74/91/598907491.db2.gz AGCKMWFSQKCODY-TZZQJPOUSA-N -1 3 359.433 3.416 20 0 FGADHM CC1CCC(=CC(=O)NCCSCc2ccccc2-c2nnn[n-]2)CC1 ZINC000736239905 598925941 /nfs/dbraw/zinc/92/59/41/598925941.db2.gz ZBMAQGVHEGIWDT-UHFFFAOYSA-N -1 3 371.510 3.353 20 0 FGADHM CC1CCC(=CC(=O)NCCSCc2ccccc2-c2nn[n-]n2)CC1 ZINC000736239905 598925943 /nfs/dbraw/zinc/92/59/43/598925943.db2.gz ZBMAQGVHEGIWDT-UHFFFAOYSA-N -1 3 371.510 3.353 20 0 FGADHM CCN(CC)C(=O)c1ccc(Nc2ncc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000736529670 598934330 /nfs/dbraw/zinc/93/43/30/598934330.db2.gz OMYILUBVZKOBBK-UHFFFAOYSA-N -1 3 371.832 3.141 20 0 FGADHM CCN(CC)C(=O)c1ccc(Nc2ncc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000736529670 598934333 /nfs/dbraw/zinc/93/43/33/598934333.db2.gz OMYILUBVZKOBBK-UHFFFAOYSA-N -1 3 371.832 3.141 20 0 FGADHM C[C@H](c1cc(F)ccc1F)N(C)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000736199373 598938321 /nfs/dbraw/zinc/93/83/21/598938321.db2.gz XRCQKSQILFHXEN-MRVPVSSYSA-N -1 3 350.760 3.391 20 0 FGADHM C[C@H](c1cc(F)ccc1F)N(C)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000736199373 598938323 /nfs/dbraw/zinc/93/83/23/598938323.db2.gz XRCQKSQILFHXEN-MRVPVSSYSA-N -1 3 350.760 3.391 20 0 FGADHM COc1cccc(C[C@@H]2CCCN2c2ncc(-c3nnn[n-]3)cc2Cl)c1 ZINC000737130797 598938476 /nfs/dbraw/zinc/93/84/76/598938476.db2.gz RSUJPAURQTXURI-AWEZNQCLSA-N -1 3 370.844 3.135 20 0 FGADHM COc1cccc(C[C@@H]2CCCN2c2ncc(-c3nn[n-]n3)cc2Cl)c1 ZINC000737130797 598938477 /nfs/dbraw/zinc/93/84/77/598938477.db2.gz RSUJPAURQTXURI-AWEZNQCLSA-N -1 3 370.844 3.135 20 0 FGADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)Nc1ccccc1OCC1CC1 ZINC000737854751 598946203 /nfs/dbraw/zinc/94/62/03/598946203.db2.gz VPFHGCZJRUJTJW-UHFFFAOYSA-N -1 3 363.421 3.227 20 0 FGADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)Nc1ccccc1OCC1CC1 ZINC000737854751 598946205 /nfs/dbraw/zinc/94/62/05/598946205.db2.gz VPFHGCZJRUJTJW-UHFFFAOYSA-N -1 3 363.421 3.227 20 0 FGADHM CC[C@@H](C)c1ccccc1OS(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000736330851 598948421 /nfs/dbraw/zinc/94/84/21/598948421.db2.gz ZYPMXVDMZKRBRX-GFCCVEGCSA-N -1 3 372.450 3.456 20 0 FGADHM CC[C@@H](C)c1ccccc1OS(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000736330851 598948422 /nfs/dbraw/zinc/94/84/22/598948422.db2.gz ZYPMXVDMZKRBRX-GFCCVEGCSA-N -1 3 372.450 3.456 20 0 FGADHM Cc1cccnc1[C@@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)C(C)C ZINC000737436345 599009421 /nfs/dbraw/zinc/00/94/21/599009421.db2.gz RMSFOTDWXAQGTO-ZGKFYVQTSA-N -1 3 362.437 3.097 20 0 FGADHM Cc1cccnc1[C@@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)C(C)C ZINC000737436345 599009423 /nfs/dbraw/zinc/00/94/23/599009423.db2.gz RMSFOTDWXAQGTO-ZGKFYVQTSA-N -1 3 362.437 3.097 20 0 FGADHM CC[C@@H](NC(=O)Nc1cccc(-c2nnn[n-]2)c1)c1cc(F)ccc1F ZINC000736361002 599012206 /nfs/dbraw/zinc/01/22/06/599012206.db2.gz FJINEUOTTIGWCZ-OAHLLOKOSA-N -1 3 358.352 3.418 20 0 FGADHM CC[C@@H](NC(=O)Nc1cccc(-c2nn[n-]n2)c1)c1cc(F)ccc1F ZINC000736361002 599012208 /nfs/dbraw/zinc/01/22/08/599012208.db2.gz FJINEUOTTIGWCZ-OAHLLOKOSA-N -1 3 358.352 3.418 20 0 FGADHM CC[C@@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1cc(F)ccc1F ZINC000736366349 599012528 /nfs/dbraw/zinc/01/25/28/599012528.db2.gz ZMDXBINVMFNCAP-MRXNPFEDSA-N -1 3 372.379 3.095 20 0 FGADHM CC[C@@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1cc(F)ccc1F ZINC000736366349 599012530 /nfs/dbraw/zinc/01/25/30/599012530.db2.gz ZMDXBINVMFNCAP-MRXNPFEDSA-N -1 3 372.379 3.095 20 0 FGADHM Cc1cc(C)cc(CCNC(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737252577 599012546 /nfs/dbraw/zinc/01/25/46/599012546.db2.gz JNESCPDDONNVEC-HNNXBMFYSA-N -1 3 364.453 3.086 20 0 FGADHM Cc1cc(C)cc(CCNC(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737252577 599012548 /nfs/dbraw/zinc/01/25/48/599012548.db2.gz JNESCPDDONNVEC-HNNXBMFYSA-N -1 3 364.453 3.086 20 0 FGADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(N[C@@H]2C[C@H]2Cc2ccccc2)n1 ZINC000822723504 599034450 /nfs/dbraw/zinc/03/44/50/599034450.db2.gz GZTLXQBXJLKGIM-DGCLKSJQSA-N -1 3 360.343 3.324 20 0 FGADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(N[C@@H]2C[C@H]2Cc2ccccc2)n1 ZINC000822723504 599034453 /nfs/dbraw/zinc/03/44/53/599034453.db2.gz GZTLXQBXJLKGIM-DGCLKSJQSA-N -1 3 360.343 3.324 20 0 FGADHM COc1ccc2c(c1)OCC[C@H]2Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000821854175 599043712 /nfs/dbraw/zinc/04/37/12/599043712.db2.gz HIZGTEAFLJCOPH-OAHLLOKOSA-N -1 3 357.801 3.464 20 0 FGADHM COc1ccc2c(c1)OCC[C@H]2Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000821854175 599043715 /nfs/dbraw/zinc/04/37/15/599043715.db2.gz HIZGTEAFLJCOPH-OAHLLOKOSA-N -1 3 357.801 3.464 20 0 FGADHM CC(C)N(C(=O)[C@H](C)Sc1ccc(-c2nnn[n-]2)cc1F)C(C)C ZINC000736194236 599063260 /nfs/dbraw/zinc/06/32/60/599063260.db2.gz YHLBIRNLTCYTST-NSHDSACASA-N -1 3 351.451 3.132 20 0 FGADHM CC(C)N(C(=O)[C@H](C)Sc1ccc(-c2nn[n-]n2)cc1F)C(C)C ZINC000736194236 599063262 /nfs/dbraw/zinc/06/32/62/599063262.db2.gz YHLBIRNLTCYTST-NSHDSACASA-N -1 3 351.451 3.132 20 0 FGADHM Cc1ccccc1NC(=O)[C@@H](C)Sc1ccc(-c2nnn[n-]2)cc1F ZINC000737437620 599065891 /nfs/dbraw/zinc/06/58/91/599065891.db2.gz XXNHVVAAJWJQIJ-LLVKDONJSA-N -1 3 357.414 3.434 20 0 FGADHM Cc1ccccc1NC(=O)[C@@H](C)Sc1ccc(-c2nn[n-]n2)cc1F ZINC000737437620 599065894 /nfs/dbraw/zinc/06/58/94/599065894.db2.gz XXNHVVAAJWJQIJ-LLVKDONJSA-N -1 3 357.414 3.434 20 0 FGADHM Cc1ccnc(-c2ccc(NCCOc3ccc(-c4nn[n-]n4)cc3)cc2)n1 ZINC000737436112 599066566 /nfs/dbraw/zinc/06/65/66/599066566.db2.gz DYTQWKOIHNUJRK-UHFFFAOYSA-N -1 3 373.420 3.123 20 0 FGADHM COc1ccc(NC(=O)[C@@H](C)Sc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000737101353 599068343 /nfs/dbraw/zinc/06/83/43/599068343.db2.gz DOYAZFKTCZKSNU-SNVBAGLBSA-N -1 3 373.413 3.134 20 0 FGADHM COc1ccc(NC(=O)[C@@H](C)Sc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000737101353 599068346 /nfs/dbraw/zinc/06/83/46/599068346.db2.gz DOYAZFKTCZKSNU-SNVBAGLBSA-N -1 3 373.413 3.134 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000737292667 599073731 /nfs/dbraw/zinc/07/37/31/599073731.db2.gz WYELWTUYQYGDQJ-QWHCGFSZSA-N -1 3 355.348 3.196 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000737292667 599073736 /nfs/dbraw/zinc/07/37/36/599073736.db2.gz WYELWTUYQYGDQJ-QWHCGFSZSA-N -1 3 355.348 3.196 20 0 FGADHM C[C@@H]1CCC[C@@H](C(=O)N2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)C1 ZINC000736244718 599074360 /nfs/dbraw/zinc/07/43/60/599074360.db2.gz MKDWNQVQPWGTIH-GDBMZVCRSA-N -1 3 369.469 3.063 20 0 FGADHM C[C@@H]1CCC[C@@H](C(=O)N2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)C1 ZINC000736244718 599074362 /nfs/dbraw/zinc/07/43/62/599074362.db2.gz MKDWNQVQPWGTIH-GDBMZVCRSA-N -1 3 369.469 3.063 20 0 FGADHM Cn1ccnc1C[C@H](Nc1cccc(F)c1-c1nnn[n-]1)c1ccccc1 ZINC000822698740 599091035 /nfs/dbraw/zinc/09/10/35/599091035.db2.gz CWVHRJKKLPMXJT-INIZCTEOSA-N -1 3 363.400 3.135 20 0 FGADHM Cn1ccnc1C[C@H](Nc1cccc(F)c1-c1nn[n-]n1)c1ccccc1 ZINC000822698740 599091038 /nfs/dbraw/zinc/09/10/38/599091038.db2.gz CWVHRJKKLPMXJT-INIZCTEOSA-N -1 3 363.400 3.135 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1cccc(-c2cscn2)c1 ZINC000823337095 599152470 /nfs/dbraw/zinc/15/24/70/599152470.db2.gz GMPQHVCMQPEUFT-UHFFFAOYSA-N -1 3 366.381 3.382 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1cccc(-c2cscn2)c1 ZINC000823337095 599152473 /nfs/dbraw/zinc/15/24/73/599152473.db2.gz GMPQHVCMQPEUFT-UHFFFAOYSA-N -1 3 366.381 3.382 20 0 FGADHM C[C@@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)C(C)(C)c1cccs1 ZINC000736038553 599156401 /nfs/dbraw/zinc/15/64/01/599156401.db2.gz VUSPCDIPMHLULX-LBPRGKRZSA-N -1 3 372.450 3.217 20 0 FGADHM C[C@@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)C(C)(C)c1cccs1 ZINC000736038553 599156405 /nfs/dbraw/zinc/15/64/05/599156405.db2.gz VUSPCDIPMHLULX-LBPRGKRZSA-N -1 3 372.450 3.217 20 0 FGADHM CCSCc1ccc(C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000821460956 599168900 /nfs/dbraw/zinc/16/89/00/599168900.db2.gz HIVJPADMPRNJAC-UHFFFAOYSA-N -1 3 371.441 3.189 20 0 FGADHM CCSCc1ccc(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000821460956 599168901 /nfs/dbraw/zinc/16/89/01/599168901.db2.gz HIVJPADMPRNJAC-UHFFFAOYSA-N -1 3 371.441 3.189 20 0 FGADHM CC[C@@H](CC(=O)NCc1cc(-c2nnn[n-]2)ccc1F)c1ccccc1 ZINC000820882484 599176385 /nfs/dbraw/zinc/17/63/85/599176385.db2.gz RUDMOPDOVCAXJI-ZDUSSCGKSA-N -1 3 353.401 3.206 20 0 FGADHM CC[C@@H](CC(=O)NCc1cc(-c2nn[n-]n2)ccc1F)c1ccccc1 ZINC000820882484 599176386 /nfs/dbraw/zinc/17/63/86/599176386.db2.gz RUDMOPDOVCAXJI-ZDUSSCGKSA-N -1 3 353.401 3.206 20 0 FGADHM Cc1ccc(CCNC(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)cc1 ZINC000737338265 599181674 /nfs/dbraw/zinc/18/16/74/599181674.db2.gz ZPYPXEVKRGOXQD-UHFFFAOYSA-N -1 3 367.457 3.096 20 0 FGADHM Cc1ccc(CCNC(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)cc1 ZINC000737338265 599181677 /nfs/dbraw/zinc/18/16/77/599181677.db2.gz ZPYPXEVKRGOXQD-UHFFFAOYSA-N -1 3 367.457 3.096 20 0 FGADHM C[C@H](CC(=O)OCc1ccc(F)cc1-c1nnn[n-]1)c1cccc(F)c1 ZINC000735974853 599184378 /nfs/dbraw/zinc/18/43/78/599184378.db2.gz CRJQNNJZHYGJET-LLVKDONJSA-N -1 3 358.348 3.382 20 0 FGADHM C[C@H](CC(=O)OCc1ccc(F)cc1-c1nn[n-]n1)c1cccc(F)c1 ZINC000735974853 599184380 /nfs/dbraw/zinc/18/43/80/599184380.db2.gz CRJQNNJZHYGJET-LLVKDONJSA-N -1 3 358.348 3.382 20 0 FGADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)c1occc1-c1ccccc1 ZINC000823242240 599185147 /nfs/dbraw/zinc/18/51/47/599185147.db2.gz RZKUTOLPCJZSNE-UHFFFAOYSA-N -1 3 363.352 3.196 20 0 FGADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)c1occc1-c1ccccc1 ZINC000823242240 599185149 /nfs/dbraw/zinc/18/51/49/599185149.db2.gz RZKUTOLPCJZSNE-UHFFFAOYSA-N -1 3 363.352 3.196 20 0 FGADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H]1CCSc2ccccc21 ZINC000736814000 599182712 /nfs/dbraw/zinc/18/27/12/599182712.db2.gz OBMANIZFUOEBIE-MRXNPFEDSA-N -1 3 365.462 3.105 20 0 FGADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@H]1CCSc2ccccc21 ZINC000736814000 599182714 /nfs/dbraw/zinc/18/27/14/599182714.db2.gz OBMANIZFUOEBIE-MRXNPFEDSA-N -1 3 365.462 3.105 20 0 FGADHM Cc1ccccc1[C@H](C)CC(=O)OCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000737419843 599186781 /nfs/dbraw/zinc/18/67/81/599186781.db2.gz FEYZQJNXCXSEPK-OAHLLOKOSA-N -1 3 366.421 3.291 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000738229980 599186893 /nfs/dbraw/zinc/18/68/93/599186893.db2.gz CLWBZLMJCMGEDJ-STQMWFEESA-N -1 3 374.322 3.131 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000738229980 599186896 /nfs/dbraw/zinc/18/68/96/599186896.db2.gz CLWBZLMJCMGEDJ-STQMWFEESA-N -1 3 374.322 3.131 20 0 FGADHM COCCN(C(=O)c1ccc(C)c(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736989285 599202088 /nfs/dbraw/zinc/20/20/88/599202088.db2.gz YKQATXOSODZGCX-UHFFFAOYSA-N -1 3 371.828 3.122 20 0 FGADHM COCCN(C(=O)c1ccc(C)c(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736989285 599202090 /nfs/dbraw/zinc/20/20/90/599202090.db2.gz YKQATXOSODZGCX-UHFFFAOYSA-N -1 3 371.828 3.122 20 0 FGADHM c1ccc(-c2nc3c(c(Sc4ccc(-c5nnn[n-]5)cc4)n2)CCC3)nc1 ZINC000738421856 599205220 /nfs/dbraw/zinc/20/52/20/599205220.db2.gz HAYMSWYWRHMDKI-UHFFFAOYSA-N -1 3 373.445 3.359 20 0 FGADHM c1ccc(-c2nc3c(c(Sc4ccc(-c5nn[n-]n5)cc4)n2)CCC3)nc1 ZINC000738421856 599205222 /nfs/dbraw/zinc/20/52/22/599205222.db2.gz HAYMSWYWRHMDKI-UHFFFAOYSA-N -1 3 373.445 3.359 20 0 FGADHM CCCOCC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000821128477 599218273 /nfs/dbraw/zinc/21/82/73/599218273.db2.gz VCOSQQROUFZURQ-UHFFFAOYSA-N -1 3 371.372 3.163 20 0 FGADHM CCCOCC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000821128477 599218275 /nfs/dbraw/zinc/21/82/75/599218275.db2.gz VCOSQQROUFZURQ-UHFFFAOYSA-N -1 3 371.372 3.163 20 0 FGADHM CCC[C@]1(C)CCCN(C(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)C1 ZINC000821028673 599220046 /nfs/dbraw/zinc/22/00/46/599220046.db2.gz XZPPESKIHZNPLJ-IFXJQAMLSA-N -1 3 357.458 3.063 20 0 FGADHM CCC[C@]1(C)CCCN(C(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)C1 ZINC000821028673 599220048 /nfs/dbraw/zinc/22/00/48/599220048.db2.gz XZPPESKIHZNPLJ-IFXJQAMLSA-N -1 3 357.458 3.063 20 0 FGADHM Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)c2cccc(-c3nnn[n-]3)c2)o1 ZINC000822233089 599221686 /nfs/dbraw/zinc/22/16/86/599221686.db2.gz HUKLJQGJXXEKOR-LRDDRELGSA-N -1 3 351.410 3.382 20 0 FGADHM Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)c2cccc(-c3nn[n-]n3)c2)o1 ZINC000822233089 599221688 /nfs/dbraw/zinc/22/16/88/599221688.db2.gz HUKLJQGJXXEKOR-LRDDRELGSA-N -1 3 351.410 3.382 20 0 FGADHM Fc1cc(-c2nnn[n-]2)ccc1CSCCc1ccc2c(c1)CCO2 ZINC000822743814 599226496 /nfs/dbraw/zinc/22/64/96/599226496.db2.gz GHNPSOFUTNOCKG-UHFFFAOYSA-N -1 3 356.426 3.417 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1CSCCc1ccc2c(c1)CCO2 ZINC000822743814 599226499 /nfs/dbraw/zinc/22/64/99/599226499.db2.gz GHNPSOFUTNOCKG-UHFFFAOYSA-N -1 3 356.426 3.417 20 0 FGADHM C[C@H](CNC(=S)Nc1ccccc1-c1nnn[n-]1)c1ccc(F)cc1F ZINC000820273944 599230053 /nfs/dbraw/zinc/23/00/53/599230053.db2.gz AKDCMRLMHOMXJL-SNVBAGLBSA-N -1 3 374.420 3.235 20 0 FGADHM C[C@H](CNC(=S)Nc1ccccc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC000820273944 599230056 /nfs/dbraw/zinc/23/00/56/599230056.db2.gz AKDCMRLMHOMXJL-SNVBAGLBSA-N -1 3 374.420 3.235 20 0 FGADHM O=C(Oc1ccc(Cl)cc1Cl)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000823454073 607262515 /nfs/dbraw/zinc/26/25/15/607262515.db2.gz KZTNGXXVOPHKHM-UHFFFAOYSA-N -1 3 370.583 3.441 20 0 FGADHM O=C(Oc1ccc(Cl)cc1Cl)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000823454073 607262516 /nfs/dbraw/zinc/26/25/16/607262516.db2.gz KZTNGXXVOPHKHM-UHFFFAOYSA-N -1 3 370.583 3.441 20 0 FGADHM CCCOc1cccc(CC(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)c1 ZINC000821133615 607264551 /nfs/dbraw/zinc/26/45/51/607264551.db2.gz BYAKSLHSXBWGHH-UHFFFAOYSA-N -1 3 371.828 3.490 20 0 FGADHM CCCOc1cccc(CC(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)c1 ZINC000821133615 607264552 /nfs/dbraw/zinc/26/45/52/607264552.db2.gz BYAKSLHSXBWGHH-UHFFFAOYSA-N -1 3 371.828 3.490 20 0 FGADHM CCc1ccc(NC(=S)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821487505 599238565 /nfs/dbraw/zinc/23/85/65/599238565.db2.gz VKEWPKJMPZDLMK-GFCCVEGCSA-N -1 3 352.467 3.477 20 0 FGADHM CCc1ccc(NC(=S)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821487505 599238567 /nfs/dbraw/zinc/23/85/67/599238567.db2.gz VKEWPKJMPZDLMK-GFCCVEGCSA-N -1 3 352.467 3.477 20 0 FGADHM Cc1c(NC(=O)CCC(=O)c2ccc(Cl)cc2)cccc1-c1nnn[n-]1 ZINC000822068391 607269774 /nfs/dbraw/zinc/26/97/74/607269774.db2.gz QPBWKHMLPKLAIW-UHFFFAOYSA-N -1 3 369.812 3.430 20 0 FGADHM Cc1c(NC(=O)CCC(=O)c2ccc(Cl)cc2)cccc1-c1nn[n-]n1 ZINC000822068391 607269775 /nfs/dbraw/zinc/26/97/75/607269775.db2.gz QPBWKHMLPKLAIW-UHFFFAOYSA-N -1 3 369.812 3.430 20 0 FGADHM CCCC[C@H](CC)CC(=O)O[C@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000736439794 599241842 /nfs/dbraw/zinc/24/18/42/599241842.db2.gz YYGMUSGCXIYBBX-KGLIPLIRSA-N -1 3 373.457 3.343 20 0 FGADHM CCCC[C@H](CC)CC(=O)O[C@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000736439794 599241845 /nfs/dbraw/zinc/24/18/45/599241845.db2.gz YYGMUSGCXIYBBX-KGLIPLIRSA-N -1 3 373.457 3.343 20 0 FGADHM Cc1ccc(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1Br ZINC000822227795 607270195 /nfs/dbraw/zinc/27/01/95/607270195.db2.gz WHZACBQFOONBJW-UHFFFAOYSA-N -1 3 372.226 3.498 20 0 FGADHM Cc1ccc(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1Br ZINC000822227795 607270196 /nfs/dbraw/zinc/27/01/96/607270196.db2.gz WHZACBQFOONBJW-UHFFFAOYSA-N -1 3 372.226 3.498 20 0 FGADHM Cc1c(NC(=O)Cc2ccccc2OC(C)C)cccc1-c1nnn[n-]1 ZINC000822077361 607270943 /nfs/dbraw/zinc/27/09/43/607270943.db2.gz UTGARYJRUOMBEA-UHFFFAOYSA-N -1 3 351.410 3.144 20 0 FGADHM Cc1c(NC(=O)Cc2ccccc2OC(C)C)cccc1-c1nn[n-]n1 ZINC000822077361 607270944 /nfs/dbraw/zinc/27/09/44/607270944.db2.gz UTGARYJRUOMBEA-UHFFFAOYSA-N -1 3 351.410 3.144 20 0 FGADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cc2cc(F)ccc2o1 ZINC000736817715 599249154 /nfs/dbraw/zinc/24/91/54/599249154.db2.gz HJPPUPQPTOWKCZ-UHFFFAOYSA-N -1 3 351.341 3.024 20 0 FGADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cc2cc(F)ccc2o1 ZINC000736817715 599249157 /nfs/dbraw/zinc/24/91/57/599249157.db2.gz HJPPUPQPTOWKCZ-UHFFFAOYSA-N -1 3 351.341 3.024 20 0 FGADHM C[C@H](NC(=O)Nc1ccc2ncsc2c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820379365 599253851 /nfs/dbraw/zinc/25/38/51/599253851.db2.gz BLAANYYISRCNFL-JTQLQIEISA-N -1 3 365.422 3.359 20 0 FGADHM C[C@H](NC(=O)Nc1ccc2ncsc2c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820379365 599253852 /nfs/dbraw/zinc/25/38/52/599253852.db2.gz BLAANYYISRCNFL-JTQLQIEISA-N -1 3 365.422 3.359 20 0 FGADHM Cc1c(NC(=O)N(C)Cc2ccccc2Cl)cccc1-c1nnn[n-]1 ZINC000822075718 607283936 /nfs/dbraw/zinc/28/39/36/607283936.db2.gz HZTWGCAXWGJLDX-UHFFFAOYSA-N -1 3 356.817 3.492 20 0 FGADHM Cc1c(NC(=O)N(C)Cc2ccccc2Cl)cccc1-c1nn[n-]n1 ZINC000822075718 607283937 /nfs/dbraw/zinc/28/39/37/607283937.db2.gz HZTWGCAXWGJLDX-UHFFFAOYSA-N -1 3 356.817 3.492 20 0 FGADHM CCOc1ccc(NC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)c(C)c1 ZINC000821421702 599257497 /nfs/dbraw/zinc/25/74/97/599257497.db2.gz CYQOPYVOBNRBSH-UHFFFAOYSA-N -1 3 370.388 3.035 20 0 FGADHM CCOc1ccc(NC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)c(C)c1 ZINC000821421702 599257500 /nfs/dbraw/zinc/25/75/00/599257500.db2.gz CYQOPYVOBNRBSH-UHFFFAOYSA-N -1 3 370.388 3.035 20 0 FGADHM Cc1c(NC(=O)NC[C@@H](c2cccnc2)C(C)C)cccc1-c1nnn[n-]1 ZINC000822097385 607286090 /nfs/dbraw/zinc/28/60/90/607286090.db2.gz XRXDBTUUEPXIFD-MRXNPFEDSA-N -1 3 365.441 3.131 20 0 FGADHM Cc1c(NC(=O)NC[C@@H](c2cccnc2)C(C)C)cccc1-c1nn[n-]n1 ZINC000822097385 607286091 /nfs/dbraw/zinc/28/60/91/607286091.db2.gz XRXDBTUUEPXIFD-MRXNPFEDSA-N -1 3 365.441 3.131 20 0 FGADHM Cc1c(NC(=O)N2CC[C@@H](c3ccccc3F)C2)cccc1-c1nnn[n-]1 ZINC000822083530 607290709 /nfs/dbraw/zinc/29/07/09/607290709.db2.gz BXRBOTUMQLVHPZ-CYBMUJFWSA-N -1 3 366.400 3.336 20 0 FGADHM Cc1c(NC(=O)N2CC[C@@H](c3ccccc3F)C2)cccc1-c1nn[n-]n1 ZINC000822083530 607290710 /nfs/dbraw/zinc/29/07/10/607290710.db2.gz BXRBOTUMQLVHPZ-CYBMUJFWSA-N -1 3 366.400 3.336 20 0 FGADHM Cc1c(NC(=O)NCc2ccc([C@@H]3C[C@H]3C)o2)cccc1-c1nnn[n-]1 ZINC000822105604 607291242 /nfs/dbraw/zinc/29/12/42/607291242.db2.gz VNSVOGIVOPMJQV-QMTHXVAHSA-N -1 3 352.398 3.213 20 0 FGADHM Cc1c(NC(=O)NCc2ccc([C@@H]3C[C@H]3C)o2)cccc1-c1nn[n-]n1 ZINC000822105604 607291243 /nfs/dbraw/zinc/29/12/43/607291243.db2.gz VNSVOGIVOPMJQV-QMTHXVAHSA-N -1 3 352.398 3.213 20 0 FGADHM Cc1c(NC(=O)NC[C@H](C)Sc2ccccc2)cccc1-c1nnn[n-]1 ZINC000822095230 607291779 /nfs/dbraw/zinc/29/17/79/607291779.db2.gz BHAYJPHHWMYUQM-LBPRGKRZSA-N -1 3 368.466 3.477 20 0 FGADHM Cc1c(NC(=O)NC[C@H](C)Sc2ccccc2)cccc1-c1nn[n-]n1 ZINC000822095230 607291780 /nfs/dbraw/zinc/29/17/80/607291780.db2.gz BHAYJPHHWMYUQM-LBPRGKRZSA-N -1 3 368.466 3.477 20 0 FGADHM CC(=O)Nc1ccc(NC(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1C ZINC000819818896 607291970 /nfs/dbraw/zinc/29/19/70/607291970.db2.gz XNVYKFWALYWWMR-UHFFFAOYSA-N -1 3 365.397 3.086 20 0 FGADHM CC(=O)Nc1ccc(NC(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1C ZINC000819818896 607291971 /nfs/dbraw/zinc/29/19/71/607291971.db2.gz XNVYKFWALYWWMR-UHFFFAOYSA-N -1 3 365.397 3.086 20 0 FGADHM Cc1c(NC(=O)c2ccccc2OCC(C)C)cccc1-c1nnn[n-]1 ZINC000822116079 607295149 /nfs/dbraw/zinc/29/51/49/607295149.db2.gz MRNIEQDQAPJOPB-UHFFFAOYSA-N -1 3 351.410 3.462 20 0 FGADHM Cc1c(NC(=O)c2ccccc2OCC(C)C)cccc1-c1nn[n-]n1 ZINC000822116079 607295150 /nfs/dbraw/zinc/29/51/50/607295150.db2.gz MRNIEQDQAPJOPB-UHFFFAOYSA-N -1 3 351.410 3.462 20 0 FGADHM CC(C)CCN(CCC(C)C)C(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000820076631 607298621 /nfs/dbraw/zinc/29/86/21/607298621.db2.gz PSNLYHPJZWGOCK-UHFFFAOYSA-N -1 3 364.881 3.450 20 0 FGADHM CC(C)CCN(CCC(C)C)C(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000820076631 607298622 /nfs/dbraw/zinc/29/86/22/607298622.db2.gz PSNLYHPJZWGOCK-UHFFFAOYSA-N -1 3 364.881 3.450 20 0 FGADHM Cc1cccc([C@@H]2CCCN2C(=O)c2ncc(-c3nnn[n-]3)cc2Cl)c1 ZINC000822299870 607299826 /nfs/dbraw/zinc/29/98/26/607299826.db2.gz XNFANUHBWUFIRQ-HNNXBMFYSA-N -1 3 368.828 3.201 20 0 FGADHM Cc1cccc([C@@H]2CCCN2C(=O)c2ncc(-c3nn[n-]n3)cc2Cl)c1 ZINC000822299870 607299827 /nfs/dbraw/zinc/29/98/27/607299827.db2.gz XNFANUHBWUFIRQ-HNNXBMFYSA-N -1 3 368.828 3.201 20 0 FGADHM O=C(/C=C\C1CCCCC1)Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737795752 599260809 /nfs/dbraw/zinc/26/08/09/599260809.db2.gz LLUBVANMTACSHF-WDZFZDKYSA-N -1 3 363.425 3.127 20 0 FGADHM Cc1cc(C)n(-c2cccc(NCc3cc(-c4nnn[n-]4)cs3)c2)n1 ZINC000822197876 607313538 /nfs/dbraw/zinc/31/35/38/607313538.db2.gz SLFYBSPQNMBJCV-UHFFFAOYSA-N -1 3 351.439 3.343 20 0 FGADHM Cc1cc(C)n(-c2cccc(NCc3cc(-c4nn[n-]n4)cs3)c2)n1 ZINC000822197876 607313539 /nfs/dbraw/zinc/31/35/39/607313539.db2.gz SLFYBSPQNMBJCV-UHFFFAOYSA-N -1 3 351.439 3.343 20 0 FGADHM C[C@@H]1CN(c2ccc(NCc3cc(-c4nnn[n-]4)cs3)cc2)C[C@@H](C)O1 ZINC000820776673 607314936 /nfs/dbraw/zinc/31/49/36/607314936.db2.gz MFOIKAAMWGZOKI-CHWSQXEVSA-N -1 3 370.482 3.154 20 0 FGADHM C[C@@H]1CN(c2ccc(NCc3cc(-c4nn[n-]n4)cs3)cc2)C[C@@H](C)O1 ZINC000820776673 607314937 /nfs/dbraw/zinc/31/49/37/607314937.db2.gz MFOIKAAMWGZOKI-CHWSQXEVSA-N -1 3 370.482 3.154 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CC[C@H](Cc2ccccc2)C1 ZINC000822217353 599273049 /nfs/dbraw/zinc/27/30/49/599273049.db2.gz BXGLDLVVAGFWKP-MRXNPFEDSA-N -1 3 362.437 3.272 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CC[C@H](Cc2ccccc2)C1 ZINC000822217353 599273052 /nfs/dbraw/zinc/27/30/52/599273052.db2.gz BXGLDLVVAGFWKP-MRXNPFEDSA-N -1 3 362.437 3.272 20 0 FGADHM COc1ccc(NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c(C)c1 ZINC000821832039 599275157 /nfs/dbraw/zinc/27/51/57/599275157.db2.gz XIELGZMTYYTQEI-LBPRGKRZSA-N -1 3 352.398 3.066 20 0 FGADHM COc1ccc(NC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c(C)c1 ZINC000821832039 599275160 /nfs/dbraw/zinc/27/51/60/599275160.db2.gz XIELGZMTYYTQEI-LBPRGKRZSA-N -1 3 352.398 3.066 20 0 FGADHM CCOC(=O)CCCCCSCc1cc(-c2nnn[n-]2)ccc1F ZINC000736591634 599276034 /nfs/dbraw/zinc/27/60/34/599276034.db2.gz DXEUIVKTDGHBCS-UHFFFAOYSA-N -1 3 352.435 3.363 20 0 FGADHM CCOC(=O)CCCCCSCc1cc(-c2nn[n-]n2)ccc1F ZINC000736591634 599276037 /nfs/dbraw/zinc/27/60/37/599276037.db2.gz DXEUIVKTDGHBCS-UHFFFAOYSA-N -1 3 352.435 3.363 20 0 FGADHM CCSCc1cccc(NC(=O)NCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000821461196 599283582 /nfs/dbraw/zinc/28/35/82/599283582.db2.gz MGTHIAFNLPRCLH-UHFFFAOYSA-N -1 3 368.466 3.442 20 0 FGADHM CCSCc1cccc(NC(=O)NCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000821461196 599283584 /nfs/dbraw/zinc/28/35/84/599283584.db2.gz MGTHIAFNLPRCLH-UHFFFAOYSA-N -1 3 368.466 3.442 20 0 FGADHM C[C@H](Sc1nc2sccc2c(=O)n1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736193276 599287277 /nfs/dbraw/zinc/28/72/77/599287277.db2.gz QXVBKFVNYNTZMR-VIFPVBQESA-N -1 3 370.463 3.028 20 0 FGADHM C[C@H](Sc1nc2sccc2c(=O)n1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736193276 599287279 /nfs/dbraw/zinc/28/72/79/599287279.db2.gz QXVBKFVNYNTZMR-VIFPVBQESA-N -1 3 370.463 3.028 20 0 FGADHM C[C@H]1SCCN(C(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)[C@H]1C ZINC000736301094 599290445 /nfs/dbraw/zinc/29/04/45/599290445.db2.gz KTRPCRHBSYZTFC-DTWKUNHWSA-N -1 3 368.919 3.043 20 0 FGADHM C[C@H]1SCCN(C(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)[C@H]1C ZINC000736301094 599290447 /nfs/dbraw/zinc/29/04/47/599290447.db2.gz KTRPCRHBSYZTFC-DTWKUNHWSA-N -1 3 368.919 3.043 20 0 FGADHM CCCCOCC(=O)Nc1sc(-c2ccccc2)cc1-c1nnn[n-]1 ZINC000736460085 599290939 /nfs/dbraw/zinc/29/09/39/599290939.db2.gz KTKMRLNETMIVBR-UHFFFAOYSA-N -1 3 357.439 3.350 20 0 FGADHM CCCCOCC(=O)Nc1sc(-c2ccccc2)cc1-c1nn[n-]n1 ZINC000736460085 599290942 /nfs/dbraw/zinc/29/09/42/599290942.db2.gz KTKMRLNETMIVBR-UHFFFAOYSA-N -1 3 357.439 3.350 20 0 FGADHM Cc1cn(CC(=O)Nc2ccccc2Oc2ccccc2)cc1-c1nnn[n-]1 ZINC000822383712 607330901 /nfs/dbraw/zinc/33/09/01/607330901.db2.gz AUYSAGNPQTXMLO-UHFFFAOYSA-N -1 3 374.404 3.408 20 0 FGADHM Cc1cn(CC(=O)Nc2ccccc2Oc2ccccc2)cc1-c1nn[n-]n1 ZINC000822383712 607330902 /nfs/dbraw/zinc/33/09/02/607330902.db2.gz AUYSAGNPQTXMLO-UHFFFAOYSA-N -1 3 374.404 3.408 20 0 FGADHM Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)c1ccc(C(=O)[O-])cc1 ZINC000821103850 598154774 /nfs/dbraw/zinc/15/47/74/598154774.db2.gz RZYDQVKDPKJWEM-MJGOQNOKSA-N -1 3 350.418 3.141 20 0 FGADHM O=C([O-])c1cccc(CNCc2cccc(NC(=O)c3ccncc3)c2)c1 ZINC000821553039 598202969 /nfs/dbraw/zinc/20/29/69/598202969.db2.gz VPCAEONSZMOHPS-UHFFFAOYSA-N -1 3 361.401 3.322 20 0 FGADHM CC(C)OCC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735894122 598231959 /nfs/dbraw/zinc/23/19/59/598231959.db2.gz FPXAAIASWPAKTJ-UHFFFAOYSA-N -1 3 353.382 3.023 20 0 FGADHM CC(C)OCC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735894122 598231961 /nfs/dbraw/zinc/23/19/61/598231961.db2.gz FPXAAIASWPAKTJ-UHFFFAOYSA-N -1 3 353.382 3.023 20 0 FGADHM CCO[C@H](CC)C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736615671 598231968 /nfs/dbraw/zinc/23/19/68/598231968.db2.gz KONHSAOBRGLOLQ-QGZVFWFLSA-N -1 3 367.409 3.413 20 0 FGADHM CCO[C@H](CC)C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736615671 598231969 /nfs/dbraw/zinc/23/19/69/598231969.db2.gz KONHSAOBRGLOLQ-QGZVFWFLSA-N -1 3 367.409 3.413 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1N1CCc2c(Br)cccc2C1 ZINC000737641971 598243296 /nfs/dbraw/zinc/24/32/96/598243296.db2.gz ZWCNTPWYMWZSJA-UHFFFAOYSA-N -1 3 374.217 3.331 20 0 FGADHM Cc1nc([C@@H]2CCCN(c3cccc(F)c3-c3nnn[n-]3)C2)sc1C ZINC000737474706 598243860 /nfs/dbraw/zinc/24/38/60/598243860.db2.gz QUXSGLGBCZYZBB-GFCCVEGCSA-N -1 3 358.446 3.463 20 0 FGADHM Cc1nc([C@@H]2CCCN(c3cccc(F)c3-c3nn[n-]n3)C2)sc1C ZINC000737474706 598243861 /nfs/dbraw/zinc/24/38/61/598243861.db2.gz QUXSGLGBCZYZBB-GFCCVEGCSA-N -1 3 358.446 3.463 20 0 FGADHM CC(C)(C)c1csc(CCNc2nc3c(cc2-c2nnn[n-]2)CCC3)n1 ZINC000735652254 598244916 /nfs/dbraw/zinc/24/49/16/598244916.db2.gz FDPFIPHECOVVLG-UHFFFAOYSA-N -1 3 369.498 3.159 20 0 FGADHM CC(C)(C)c1csc(CCNc2nc3c(cc2-c2nn[n-]n2)CCC3)n1 ZINC000735652254 598244918 /nfs/dbraw/zinc/24/49/18/598244918.db2.gz FDPFIPHECOVVLG-UHFFFAOYSA-N -1 3 369.498 3.159 20 0 FGADHM Cc1ccc2[nH]c3c(c2c1)CN(CCOc1ccc(-c2nn[n-]n2)cc1)CC3 ZINC000737372549 598252375 /nfs/dbraw/zinc/25/23/75/598252375.db2.gz FLQOFEJTJWZNII-UHFFFAOYSA-N -1 3 374.448 3.094 20 0 FGADHM CCCN(CCc1ccccn1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000736479373 598264990 /nfs/dbraw/zinc/26/49/90/598264990.db2.gz JMZJMGNMTDWWOE-UHFFFAOYSA-N -1 3 365.441 3.057 20 0 FGADHM CCCN(CCc1ccccn1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000736479373 598264993 /nfs/dbraw/zinc/26/49/93/598264993.db2.gz JMZJMGNMTDWWOE-UHFFFAOYSA-N -1 3 365.441 3.057 20 0 FGADHM CCC[C@H](NC(=O)Nc1cc(-c2nnn[n-]2)ccc1C)c1ccccn1 ZINC000736431421 598265373 /nfs/dbraw/zinc/26/53/73/598265373.db2.gz DVJSTMUQRCJGSQ-HNNXBMFYSA-N -1 3 351.414 3.233 20 0 FGADHM CCC[C@H](NC(=O)Nc1cc(-c2nn[n-]n2)ccc1C)c1ccccn1 ZINC000736431421 598265374 /nfs/dbraw/zinc/26/53/74/598265374.db2.gz DVJSTMUQRCJGSQ-HNNXBMFYSA-N -1 3 351.414 3.233 20 0 FGADHM CN(C(=O)c1ccc(OCC2CC2)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000736742968 598280223 /nfs/dbraw/zinc/28/02/23/598280223.db2.gz VQDPWJUVZRQUIC-UHFFFAOYSA-N -1 3 367.384 3.071 20 0 FGADHM CN(C(=O)c1ccc(OCC2CC2)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736742968 598280224 /nfs/dbraw/zinc/28/02/24/598280224.db2.gz VQDPWJUVZRQUIC-UHFFFAOYSA-N -1 3 367.384 3.071 20 0 FGADHM O=C(Cc1ccccc1C(F)(F)F)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000737975193 598289385 /nfs/dbraw/zinc/28/93/85/598289385.db2.gz VJBYQPAIJPFYBC-UHFFFAOYSA-N -1 3 362.311 3.171 20 0 FGADHM O=C(Cc1ccccc1C(F)(F)F)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000737975193 598289387 /nfs/dbraw/zinc/28/93/87/598289387.db2.gz VJBYQPAIJPFYBC-UHFFFAOYSA-N -1 3 362.311 3.171 20 0 FGADHM COc1ccc(S[C@H](C)C(=O)Nc2sccc2-c2nnn[n-]2)cc1 ZINC000737114639 598296208 /nfs/dbraw/zinc/29/62/08/598296208.db2.gz IHAIMFHQYMOLAH-SECBINFHSA-N -1 3 361.452 3.056 20 0 FGADHM COc1ccc(S[C@H](C)C(=O)Nc2sccc2-c2nn[n-]n2)cc1 ZINC000737114639 598296210 /nfs/dbraw/zinc/29/62/10/598296210.db2.gz IHAIMFHQYMOLAH-SECBINFHSA-N -1 3 361.452 3.056 20 0 FGADHM O=C(C=Cc1ccc(Cl)s1)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737793900 598304143 /nfs/dbraw/zinc/30/41/43/598304143.db2.gz AAUITLJUEWFZCC-XQRVVYSFSA-N -1 3 363.805 3.050 20 0 FGADHM O=C(C=Cc1ccc(Cl)s1)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737793900 598304145 /nfs/dbraw/zinc/30/41/45/598304145.db2.gz AAUITLJUEWFZCC-XQRVVYSFSA-N -1 3 363.805 3.050 20 0 FGADHM CCC[C@H](C)CC(=O)OCCOc1c(-c2nnn[n-]2)cnc2ccccc21 ZINC000736423690 598307932 /nfs/dbraw/zinc/30/79/32/598307932.db2.gz NIYCEWRNJOTWCW-ZDUSSCGKSA-N -1 3 369.425 3.163 20 0 FGADHM CCC[C@H](C)CC(=O)OCCOc1c(-c2nn[n-]n2)cnc2ccccc21 ZINC000736423690 598307934 /nfs/dbraw/zinc/30/79/34/598307934.db2.gz NIYCEWRNJOTWCW-ZDUSSCGKSA-N -1 3 369.425 3.163 20 0 FGADHM Fc1cc(-c2nnn[n-]2)cc(F)c1N1CCCO[C@@H](c2ccccc2)C1 ZINC000737638891 598310743 /nfs/dbraw/zinc/31/07/43/598310743.db2.gz JGYSSNGGLJYADC-MRXNPFEDSA-N -1 3 357.364 3.113 20 0 FGADHM Fc1cc(-c2nn[n-]n2)cc(F)c1N1CCCO[C@@H](c2ccccc2)C1 ZINC000737638891 598310745 /nfs/dbraw/zinc/31/07/45/598310745.db2.gz JGYSSNGGLJYADC-MRXNPFEDSA-N -1 3 357.364 3.113 20 0 FGADHM COc1ccccc1NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737151029 598315750 /nfs/dbraw/zinc/31/57/50/598315750.db2.gz DWAYVPNQJCSWHX-UHFFFAOYSA-N -1 3 360.830 3.338 20 0 FGADHM COc1ccccc1NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737151029 598315752 /nfs/dbraw/zinc/31/57/52/598315752.db2.gz DWAYVPNQJCSWHX-UHFFFAOYSA-N -1 3 360.830 3.338 20 0 FGADHM Cc1ccccc1CCNC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737428518 598318775 /nfs/dbraw/zinc/31/87/75/598318775.db2.gz YXDMYYOYZLATNN-UHFFFAOYSA-N -1 3 372.885 3.358 20 0 FGADHM Cc1ccccc1CCNC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737428518 598318776 /nfs/dbraw/zinc/31/87/76/598318776.db2.gz YXDMYYOYZLATNN-UHFFFAOYSA-N -1 3 372.885 3.358 20 0 FGADHM CCN(C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C1CCCC1 ZINC000736509329 598320323 /nfs/dbraw/zinc/32/03/23/598320323.db2.gz VBIXKBRDAHQDQE-UHFFFAOYSA-N -1 3 350.879 3.481 20 0 FGADHM CCN(C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C1CCCC1 ZINC000736509329 598320325 /nfs/dbraw/zinc/32/03/25/598320325.db2.gz VBIXKBRDAHQDQE-UHFFFAOYSA-N -1 3 350.879 3.481 20 0 FGADHM Cc1ccc(CNC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)s1 ZINC000737342154 598320683 /nfs/dbraw/zinc/32/06/83/598320683.db2.gz LQQYYXIUIMTBGE-UHFFFAOYSA-N -1 3 364.887 3.377 20 0 FGADHM Cc1ccc(CNC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)s1 ZINC000737342154 598320685 /nfs/dbraw/zinc/32/06/85/598320685.db2.gz LQQYYXIUIMTBGE-UHFFFAOYSA-N -1 3 364.887 3.377 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)c1csc(C(C)C)n1 ZINC000736628977 598325653 /nfs/dbraw/zinc/32/56/53/598325653.db2.gz ZVUGAZNUECJUGZ-UHFFFAOYSA-N -1 3 359.411 3.065 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)c1csc(C(C)C)n1 ZINC000736628977 598325655 /nfs/dbraw/zinc/32/56/55/598325655.db2.gz ZVUGAZNUECJUGZ-UHFFFAOYSA-N -1 3 359.411 3.065 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N1CCC2(CCCCC2)CC1 ZINC000737798649 598329089 /nfs/dbraw/zinc/32/90/89/598329089.db2.gz NDOCIJHYYSALAK-CMDGGOBGSA-N -1 3 351.454 3.453 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N1CCC2(CCCCC2)CC1 ZINC000737798649 598329090 /nfs/dbraw/zinc/32/90/90/598329090.db2.gz NDOCIJHYYSALAK-CMDGGOBGSA-N -1 3 351.454 3.453 20 0 FGADHM Cc1cc(C)c(-c2nnn[n-]2)c(NCc2cccc(OCC(F)F)c2)n1 ZINC000737239627 598353610 /nfs/dbraw/zinc/35/36/10/598353610.db2.gz DTYUYFFOUVBSRF-UHFFFAOYSA-N -1 3 360.368 3.135 20 0 FGADHM Cc1cc(C)c(-c2nn[n-]n2)c(NCc2cccc(OCC(F)F)c2)n1 ZINC000737239627 598353611 /nfs/dbraw/zinc/35/36/11/598353611.db2.gz DTYUYFFOUVBSRF-UHFFFAOYSA-N -1 3 360.368 3.135 20 0 FGADHM CO[C@H](C)c1cccc(NC(=O)CCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736964286 598381700 /nfs/dbraw/zinc/38/17/00/598381700.db2.gz WSKLYPDROZPPBA-CYBMUJFWSA-N -1 3 351.410 3.145 20 0 FGADHM CO[C@H](C)c1cccc(NC(=O)CCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736964286 598381702 /nfs/dbraw/zinc/38/17/02/598381702.db2.gz WSKLYPDROZPPBA-CYBMUJFWSA-N -1 3 351.410 3.145 20 0 FGADHM O=C(NCC1(c2ccc(Cl)cc2)CCC1)c1sccc1-c1nnn[n-]1 ZINC000738040058 598385920 /nfs/dbraw/zinc/38/59/20/598385920.db2.gz NUWVXISEUJHYMM-UHFFFAOYSA-N -1 3 373.869 3.433 20 0 FGADHM O=C(NCC1(c2ccc(Cl)cc2)CCC1)c1sccc1-c1nn[n-]n1 ZINC000738040058 598385922 /nfs/dbraw/zinc/38/59/22/598385922.db2.gz NUWVXISEUJHYMM-UHFFFAOYSA-N -1 3 373.869 3.433 20 0 FGADHM Clc1cccc(-c2nnc(CSc3cc(-c4nnn[n-]4)ccn3)o2)c1 ZINC000737576051 598392925 /nfs/dbraw/zinc/39/29/25/598392925.db2.gz SDTJEZSJYDMABW-UHFFFAOYSA-N -1 3 371.813 3.257 20 0 FGADHM Clc1cccc(-c2nnc(CSc3cc(-c4nn[n-]n4)ccn3)o2)c1 ZINC000737576051 598392927 /nfs/dbraw/zinc/39/29/27/598392927.db2.gz SDTJEZSJYDMABW-UHFFFAOYSA-N -1 3 371.813 3.257 20 0 FGADHM Cc1[nH]c2ccccc2c1CCNc1ncc(-c2nnn[n-]2)cc1Cl ZINC000737201063 598394674 /nfs/dbraw/zinc/39/46/74/598394674.db2.gz YHFZNZHQIFILSN-UHFFFAOYSA-N -1 3 353.817 3.359 20 0 FGADHM Cc1[nH]c2ccccc2c1CCNc1ncc(-c2nn[n-]n2)cc1Cl ZINC000737201063 598394676 /nfs/dbraw/zinc/39/46/76/598394676.db2.gz YHFZNZHQIFILSN-UHFFFAOYSA-N -1 3 353.817 3.359 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1Cc2ccccc2C(F)(F)C1 ZINC000822217619 607354519 /nfs/dbraw/zinc/35/45/19/607354519.db2.gz JLUHEBAQKOQFGB-UHFFFAOYSA-N -1 3 370.363 3.315 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1Cc2ccccc2C(F)(F)C1 ZINC000822217619 607354521 /nfs/dbraw/zinc/35/45/21/607354521.db2.gz JLUHEBAQKOQFGB-UHFFFAOYSA-N -1 3 370.363 3.315 20 0 FGADHM CC(C)COc1ccc(CC(=O)OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735844019 598411323 /nfs/dbraw/zinc/41/13/23/598411323.db2.gz FGBOMBZKQDOJOS-UHFFFAOYSA-N -1 3 366.421 3.187 20 0 FGADHM CC(C)COc1ccc(CC(=O)OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735844019 598411325 /nfs/dbraw/zinc/41/13/25/598411325.db2.gz FGBOMBZKQDOJOS-UHFFFAOYSA-N -1 3 366.421 3.187 20 0 FGADHM C[C@@H](NC(=O)Nc1cccc2c1ccn2C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736115360 598412133 /nfs/dbraw/zinc/41/21/33/598412133.db2.gz HJKUUJYDDZZFKW-GFCCVEGCSA-N -1 3 361.409 3.241 20 0 FGADHM C[C@@H](NC(=O)Nc1cccc2c1ccn2C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736115360 598412134 /nfs/dbraw/zinc/41/21/34/598412134.db2.gz HJKUUJYDDZZFKW-GFCCVEGCSA-N -1 3 361.409 3.241 20 0 FGADHM CC/C=C\COC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000736411567 598412717 /nfs/dbraw/zinc/41/27/17/598412717.db2.gz OUXIJYYFNRNSDI-ARJAWSKDSA-N -1 3 354.366 3.162 20 0 FGADHM CC/C=C\COC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000736411567 598412718 /nfs/dbraw/zinc/41/27/18/598412718.db2.gz OUXIJYYFNRNSDI-ARJAWSKDSA-N -1 3 354.366 3.162 20 0 FGADHM CO[C@@H](C)c1cccc(NC(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736960126 598412744 /nfs/dbraw/zinc/41/27/44/598412744.db2.gz FGWNIZRALXHYSR-STQMWFEESA-N -1 3 366.425 3.457 20 0 FGADHM CO[C@@H](C)c1cccc(NC(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736960126 598412745 /nfs/dbraw/zinc/41/27/45/598412745.db2.gz FGWNIZRALXHYSR-STQMWFEESA-N -1 3 366.425 3.457 20 0 FGADHM Cc1cccc(N(C)C(=O)CSCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737396312 598418295 /nfs/dbraw/zinc/41/82/95/598418295.db2.gz GZCLGQIKCWUHMT-UHFFFAOYSA-N -1 3 353.451 3.071 20 0 FGADHM Cc1cccc(N(C)C(=O)CSCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737396312 598418298 /nfs/dbraw/zinc/41/82/98/598418298.db2.gz GZCLGQIKCWUHMT-UHFFFAOYSA-N -1 3 353.451 3.071 20 0 FGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H]1CCC[C@@H](C)C1 ZINC000736256821 598427826 /nfs/dbraw/zinc/42/78/26/598427826.db2.gz AZXJQHXUKOAARI-PBHICJAKSA-N -1 3 356.474 3.365 20 0 FGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H]1CCC[C@@H](C)C1 ZINC000736256821 598427827 /nfs/dbraw/zinc/42/78/27/598427827.db2.gz AZXJQHXUKOAARI-PBHICJAKSA-N -1 3 356.474 3.365 20 0 FGADHM Cc1ccc([C@@H](C)NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)o1 ZINC000737320555 598428386 /nfs/dbraw/zinc/42/83/86/598428386.db2.gz MZCBZBPDLBCZAU-CQSZACIVSA-N -1 3 368.441 3.449 20 0 FGADHM Cc1ccc([C@@H](C)NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)o1 ZINC000737320555 598428387 /nfs/dbraw/zinc/42/83/87/598428387.db2.gz MZCBZBPDLBCZAU-CQSZACIVSA-N -1 3 368.441 3.449 20 0 FGADHM O=C(Nc1cccc(Oc2ccccc2)c1)c1ccc(-c2nnn[n-]2)cn1 ZINC000738182276 598435928 /nfs/dbraw/zinc/43/59/28/598435928.db2.gz BHOKOFVXXPLYSL-UHFFFAOYSA-N -1 3 358.361 3.306 20 0 FGADHM O=C(Nc1cccc(Oc2ccccc2)c1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738182276 598435929 /nfs/dbraw/zinc/43/59/29/598435929.db2.gz BHOKOFVXXPLYSL-UHFFFAOYSA-N -1 3 358.361 3.306 20 0 FGADHM Cc1cccc(-c2cccc(CNC(=O)c3ccc(-c4nnn[n-]4)cn3)c2)c1 ZINC000737380843 598453200 /nfs/dbraw/zinc/45/32/00/598453200.db2.gz SGOXUQDWXLSKKB-UHFFFAOYSA-N -1 3 370.416 3.167 20 0 FGADHM Cc1cccc(-c2cccc(CNC(=O)c3ccc(-c4nn[n-]n4)cn3)c2)c1 ZINC000737380843 598453202 /nfs/dbraw/zinc/45/32/02/598453202.db2.gz SGOXUQDWXLSKKB-UHFFFAOYSA-N -1 3 370.416 3.167 20 0 FGADHM CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000736390704 598461631 /nfs/dbraw/zinc/46/16/31/598461631.db2.gz JKKUQIVUYNNICI-AEFFLSMTSA-N -1 3 362.437 3.060 20 0 FGADHM CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000736390704 598461633 /nfs/dbraw/zinc/46/16/33/598461633.db2.gz JKKUQIVUYNNICI-AEFFLSMTSA-N -1 3 362.437 3.060 20 0 FGADHM Cc1ccc(Cn2nccc2NCc2cccc(-c3nnn[n-]3)c2)s1 ZINC000737343399 598466504 /nfs/dbraw/zinc/46/65/04/598466504.db2.gz OQPPBJSGSDQVRZ-UHFFFAOYSA-N -1 3 351.439 3.094 20 0 FGADHM Cc1ccc(Cn2nccc2NCc2cccc(-c3nn[n-]n3)c2)s1 ZINC000737343399 598466505 /nfs/dbraw/zinc/46/65/05/598466505.db2.gz OQPPBJSGSDQVRZ-UHFFFAOYSA-N -1 3 351.439 3.094 20 0 FGADHM O=C(Nc1ccc(N2CCCC2)c(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738172299 598474709 /nfs/dbraw/zinc/47/47/09/598474709.db2.gz HAKMSLYCJWRLKJ-UHFFFAOYSA-N -1 3 368.828 3.373 20 0 FGADHM O=C(Nc1ccc(N2CCCC2)c(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738172299 598474711 /nfs/dbraw/zinc/47/47/11/598474711.db2.gz HAKMSLYCJWRLKJ-UHFFFAOYSA-N -1 3 368.828 3.373 20 0 FGADHM C[C@H]1CCCC[C@@H]1NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000736271048 598476557 /nfs/dbraw/zinc/47/65/57/598476557.db2.gz MGJTWWSQHKWZRQ-GUYCJALGSA-N -1 3 354.458 3.119 20 0 FGADHM C[C@H]1CCCC[C@@H]1NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000736271048 598476559 /nfs/dbraw/zinc/47/65/59/598476559.db2.gz MGJTWWSQHKWZRQ-GUYCJALGSA-N -1 3 354.458 3.119 20 0 FGADHM CC(C)Oc1cccc(OC(=O)C=Cc2ccccc2-c2nnn[n-]2)c1 ZINC000735912852 598485996 /nfs/dbraw/zinc/48/59/96/598485996.db2.gz INYQNPOOPQULTN-ZHACJKMWSA-N -1 3 350.378 3.273 20 0 FGADHM CC(C)Oc1cccc(OC(=O)C=Cc2ccccc2-c2nn[n-]n2)c1 ZINC000735912852 598485997 /nfs/dbraw/zinc/48/59/97/598485997.db2.gz INYQNPOOPQULTN-ZHACJKMWSA-N -1 3 350.378 3.273 20 0 FGADHM COc1ccc(C=CC(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)cc1 ZINC000737081281 598488866 /nfs/dbraw/zinc/48/88/66/598488866.db2.gz MNKXCAPDOPFWTA-YFHOEESVSA-N -1 3 366.425 3.084 20 0 FGADHM COc1ccc(C=CC(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)cc1 ZINC000737081281 598488868 /nfs/dbraw/zinc/48/88/68/598488868.db2.gz MNKXCAPDOPFWTA-YFHOEESVSA-N -1 3 366.425 3.084 20 0 FGADHM C[C@@H](OC(=O)COc1ccc(Cl)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000736154690 598490922 /nfs/dbraw/zinc/49/09/22/598490922.db2.gz ABNWPQVYDMMMAB-LLVKDONJSA-N -1 3 358.785 3.203 20 0 FGADHM C[C@@H](OC(=O)COc1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000736154690 598490923 /nfs/dbraw/zinc/49/09/23/598490923.db2.gz ABNWPQVYDMMMAB-LLVKDONJSA-N -1 3 358.785 3.203 20 0 FGADHM O=C(Oc1ccccc1OCC(F)(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000738247903 598492642 /nfs/dbraw/zinc/49/26/42/598492642.db2.gz UHWHTMVFGOZWCI-UHFFFAOYSA-N -1 3 364.283 3.027 20 0 FGADHM O=C(Oc1ccccc1OCC(F)(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000738247903 598492644 /nfs/dbraw/zinc/49/26/44/598492644.db2.gz UHWHTMVFGOZWCI-UHFFFAOYSA-N -1 3 364.283 3.027 20 0 FGADHM C[C@@H]1C[C@H]1NC(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000736236573 598501081 /nfs/dbraw/zinc/50/10/81/598501081.db2.gz KKCFBNGIKKITKH-BXUZGUMPSA-N -1 3 351.435 3.156 20 0 FGADHM C[C@@H]1C[C@H]1NC(=O)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC000736236573 598501083 /nfs/dbraw/zinc/50/10/83/598501083.db2.gz KKCFBNGIKKITKH-BXUZGUMPSA-N -1 3 351.435 3.156 20 0 FGADHM COc1cccc(C2(CNc3ccc(-c4nnn[n-]4)cn3)CCCC2)c1 ZINC000737129252 598503719 /nfs/dbraw/zinc/50/37/19/598503719.db2.gz ROLNYALJDDJWIF-UHFFFAOYSA-N -1 3 350.426 3.194 20 0 FGADHM COc1cccc(C2(CNc3ccc(-c4nn[n-]n4)cn3)CCCC2)c1 ZINC000737129252 598503721 /nfs/dbraw/zinc/50/37/21/598503721.db2.gz ROLNYALJDDJWIF-UHFFFAOYSA-N -1 3 350.426 3.194 20 0 FGADHM CN(Cc1csc(-c2ccoc2)n1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736821230 598503810 /nfs/dbraw/zinc/50/38/10/598503810.db2.gz AKXXMTHMZTYYMH-UHFFFAOYSA-N -1 3 352.423 3.215 20 0 FGADHM CN(Cc1cnn(-c2ccccc2)c1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736829444 598507983 /nfs/dbraw/zinc/50/79/83/598507983.db2.gz DKLFJAIBCWZRBB-UHFFFAOYSA-N -1 3 365.828 3.342 20 0 FGADHM CN(Cc1cnn(-c2ccccc2)c1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736829444 598507985 /nfs/dbraw/zinc/50/79/85/598507985.db2.gz DKLFJAIBCWZRBB-UHFFFAOYSA-N -1 3 365.828 3.342 20 0 FGADHM FC(F)(F)COc1cccc(OCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737626083 598508190 /nfs/dbraw/zinc/50/81/90/598508190.db2.gz HLRACZXUTHIHNV-UHFFFAOYSA-N -1 3 350.300 3.387 20 0 FGADHM FC(F)(F)COc1cccc(OCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737626083 598508192 /nfs/dbraw/zinc/50/81/92/598508192.db2.gz HLRACZXUTHIHNV-UHFFFAOYSA-N -1 3 350.300 3.387 20 0 FGADHM O[C@@H](CNc1ccc(Cl)cc1-c1nnn[n-]1)c1ccc(Cl)cc1 ZINC000738383715 598508642 /nfs/dbraw/zinc/50/86/42/598508642.db2.gz PNJOPIFFXPUUQF-AWEZNQCLSA-N -1 3 350.209 3.319 20 0 FGADHM O[C@@H](CNc1ccc(Cl)cc1-c1nn[n-]n1)c1ccc(Cl)cc1 ZINC000738383715 598508643 /nfs/dbraw/zinc/50/86/43/598508643.db2.gz PNJOPIFFXPUUQF-AWEZNQCLSA-N -1 3 350.209 3.319 20 0 FGADHM CCc1c(C)sc(NC(=O)[C@@H](C)OCCC(C)C)c1-c1nnn[n-]1 ZINC000736670389 598515311 /nfs/dbraw/zinc/51/53/11/598515311.db2.gz OLZIMZIVJXYUHI-SNVBAGLBSA-N -1 3 351.476 3.189 20 0 FGADHM CCc1c(C)sc(NC(=O)[C@@H](C)OCCC(C)C)c1-c1nn[n-]n1 ZINC000736670389 598515313 /nfs/dbraw/zinc/51/53/13/598515313.db2.gz OLZIMZIVJXYUHI-SNVBAGLBSA-N -1 3 351.476 3.189 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H]1CC[C@H](C)CC1 ZINC000736482238 598516043 /nfs/dbraw/zinc/51/60/43/598516043.db2.gz YSZQMBVDDSIKQQ-CZIWCDLHSA-N -1 3 356.474 3.367 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H]1CC[C@H](C)CC1 ZINC000736482238 598516044 /nfs/dbraw/zinc/51/60/44/598516044.db2.gz YSZQMBVDDSIKQQ-CZIWCDLHSA-N -1 3 356.474 3.367 20 0 FGADHM Cc1csc([C@@H](C)NC(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)n1 ZINC000737454687 598527795 /nfs/dbraw/zinc/52/77/95/598527795.db2.gz DRNHFRATFYXISA-SNVBAGLBSA-N -1 3 374.474 3.071 20 0 FGADHM Cc1csc([C@@H](C)NC(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)n1 ZINC000737454687 598527797 /nfs/dbraw/zinc/52/77/97/598527797.db2.gz DRNHFRATFYXISA-SNVBAGLBSA-N -1 3 374.474 3.071 20 0 FGADHM O=C(Nc1cc(C2CC2)nn1-c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000738146148 598527974 /nfs/dbraw/zinc/52/79/74/598527974.db2.gz QJYBVLTWZKOCCY-UHFFFAOYSA-N -1 3 371.404 3.182 20 0 FGADHM O=C(Nc1cc(C2CC2)nn1-c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000738146148 598527976 /nfs/dbraw/zinc/52/79/76/598527976.db2.gz QJYBVLTWZKOCCY-UHFFFAOYSA-N -1 3 371.404 3.182 20 0 FGADHM CCc1ccc([C@H](C)C(=O)OCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000736684578 598533405 /nfs/dbraw/zinc/53/34/05/598533405.db2.gz AVJURXPHRDMPMO-LBPRGKRZSA-N -1 3 354.385 3.415 20 0 FGADHM CCc1ccc([C@H](C)C(=O)OCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000736684578 598533407 /nfs/dbraw/zinc/53/34/07/598533407.db2.gz AVJURXPHRDMPMO-LBPRGKRZSA-N -1 3 354.385 3.415 20 0 FGADHM CCSc1ccc(C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cn1 ZINC000736666806 598537490 /nfs/dbraw/zinc/53/74/90/598537490.db2.gz OFFJMXVNLOISPP-NSHDSACASA-N -1 3 355.423 3.292 20 0 FGADHM CCSc1ccc(C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cn1 ZINC000736666806 598537492 /nfs/dbraw/zinc/53/74/92/598537492.db2.gz OFFJMXVNLOISPP-NSHDSACASA-N -1 3 355.423 3.292 20 0 FGADHM CCC[C@@H](CC)NC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000736422499 598540528 /nfs/dbraw/zinc/54/05/28/598540528.db2.gz IJYFASNMSQIEFF-CQSZACIVSA-N -1 3 369.425 3.347 20 0 FGADHM O=C(CN(c1ccccc1)C1CCCC1)Nc1sccc1-c1nnn[n-]1 ZINC000737879113 598541001 /nfs/dbraw/zinc/54/10/01/598541001.db2.gz SSWOZIPOQQEDJC-UHFFFAOYSA-N -1 3 368.466 3.316 20 0 FGADHM O=C(CN(c1ccccc1)C1CCCC1)Nc1sccc1-c1nn[n-]n1 ZINC000737879113 598541003 /nfs/dbraw/zinc/54/10/03/598541003.db2.gz SSWOZIPOQQEDJC-UHFFFAOYSA-N -1 3 368.466 3.316 20 0 FGADHM Fc1ccc(COc2ccc(-c3nnn[n-]3)c(F)c2)c(Br)c1 ZINC000737649018 598550211 /nfs/dbraw/zinc/55/02/11/598550211.db2.gz KZSBNQXNDNTDKW-UHFFFAOYSA-N -1 3 367.153 3.486 20 0 FGADHM Fc1ccc(COc2ccc(-c3nn[n-]n3)c(F)c2)c(Br)c1 ZINC000737649018 598550213 /nfs/dbraw/zinc/55/02/13/598550213.db2.gz KZSBNQXNDNTDKW-UHFFFAOYSA-N -1 3 367.153 3.486 20 0 FGADHM C[C@H](NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)c1ccccc1 ZINC000736116136 598559756 /nfs/dbraw/zinc/55/97/56/598559756.db2.gz CSHIGQFXGDXBOY-JTQLQIEISA-N -1 3 374.351 3.351 20 0 FGADHM C[C@H](NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)c1ccccc1 ZINC000736116136 598559757 /nfs/dbraw/zinc/55/97/57/598559757.db2.gz CSHIGQFXGDXBOY-JTQLQIEISA-N -1 3 374.351 3.351 20 0 FGADHM CN(C(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000736733419 598569461 /nfs/dbraw/zinc/56/94/61/598569461.db2.gz UKKXQFHKCSHDHG-RYUDHWBXSA-N -1 3 373.338 3.051 20 0 FGADHM CN(C(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736733419 598569462 /nfs/dbraw/zinc/56/94/62/598569462.db2.gz UKKXQFHKCSHDHG-RYUDHWBXSA-N -1 3 373.338 3.051 20 0 FGADHM CN(Cc1nccn1C(F)F)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000736830852 598572915 /nfs/dbraw/zinc/57/29/15/598572915.db2.gz AQBQFFFLXRFRFW-UHFFFAOYSA-N -1 3 373.289 3.114 20 0 FGADHM CN(Cc1nccn1C(F)F)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000736830852 598572916 /nfs/dbraw/zinc/57/29/16/598572916.db2.gz AQBQFFFLXRFRFW-UHFFFAOYSA-N -1 3 373.289 3.114 20 0 FGADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1cccc(-n2cccc2)c1 ZINC000736817689 598583373 /nfs/dbraw/zinc/58/33/73/598583373.db2.gz GTFQQLAGFKRBOD-UHFFFAOYSA-N -1 3 373.420 3.321 20 0 FGADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cccc(-n2cccc2)c1 ZINC000736817689 598583375 /nfs/dbraw/zinc/58/33/75/598583375.db2.gz GTFQQLAGFKRBOD-UHFFFAOYSA-N -1 3 373.420 3.321 20 0 FGADHM Cc1c2cccc(F)c2oc1C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737209416 598588982 /nfs/dbraw/zinc/58/89/82/598588982.db2.gz OKQXWIOKGNQSEO-UHFFFAOYSA-N -1 3 355.304 3.452 20 0 FGADHM Cc1c2cccc(F)c2oc1C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737209416 598588984 /nfs/dbraw/zinc/58/89/84/598588984.db2.gz OKQXWIOKGNQSEO-UHFFFAOYSA-N -1 3 355.304 3.452 20 0 FGADHM O=C(CSc1ccc2c(c1)CCC2)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737946214 598589782 /nfs/dbraw/zinc/58/97/82/598589782.db2.gz BXBSVVRFOQCUED-UHFFFAOYSA-N -1 3 369.425 3.225 20 0 FGADHM O=C(CSc1ccc2c(c1)CCC2)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737946214 598589784 /nfs/dbraw/zinc/58/97/84/598589784.db2.gz BXBSVVRFOQCUED-UHFFFAOYSA-N -1 3 369.425 3.225 20 0 FGADHM C[C@H](Nc1c(-c2nnn[n-]2)cnc2c(F)ccc(Cl)c21)c1ccccn1 ZINC000736139368 598592021 /nfs/dbraw/zinc/59/20/21/598592021.db2.gz QFZQSITWKHAPCB-VIFPVBQESA-N -1 3 369.791 3.197 20 0 FGADHM C[C@H](Nc1c(-c2nn[n-]n2)cnc2c(F)ccc(Cl)c21)c1ccccn1 ZINC000736139368 598592023 /nfs/dbraw/zinc/59/20/23/598592023.db2.gz QFZQSITWKHAPCB-VIFPVBQESA-N -1 3 369.791 3.197 20 0 FGADHM CCC[C@H](NC(=O)COc1ccc(-c2nn[n-]n2)cc1)C1CCCCC1 ZINC000736430497 598593099 /nfs/dbraw/zinc/59/30/99/598593099.db2.gz OJMQALHFIZTFGY-KRWDZBQOSA-N -1 3 357.458 3.111 20 0 FGADHM Cc1nc(-c2c[nH]c(C(=O)Nc3ccc(F)c(-c4nnn[n-]4)c3)c2)cs1 ZINC000737462973 598598873 /nfs/dbraw/zinc/59/88/73/598598873.db2.gz CFBBICKINIUXDL-UHFFFAOYSA-N -1 3 369.385 3.018 20 0 FGADHM Cc1nc(-c2c[nH]c(C(=O)Nc3ccc(F)c(-c4nn[n-]n4)c3)c2)cs1 ZINC000737462973 598598875 /nfs/dbraw/zinc/59/88/75/598598875.db2.gz CFBBICKINIUXDL-UHFFFAOYSA-N -1 3 369.385 3.018 20 0 FGADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)c1nc(-c2ccc(F)cc2)no1 ZINC000736167367 598606634 /nfs/dbraw/zinc/60/66/34/598606634.db2.gz DPKAWURYYNYNLF-SNVBAGLBSA-N -1 3 352.329 3.196 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N1CCC[C@H]1c1cccs1 ZINC000738163741 598623857 /nfs/dbraw/zinc/62/38/57/598623857.db2.gz UDGPDGGTSPEPHO-ZDUSSCGKSA-N -1 3 358.402 3.436 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N1CCC[C@H]1c1cccs1 ZINC000738163741 598623859 /nfs/dbraw/zinc/62/38/59/598623859.db2.gz UDGPDGGTSPEPHO-ZDUSSCGKSA-N -1 3 358.402 3.436 20 0 FGADHM O[C@@H](c1ccccc1)C1CCN(c2c(Cl)cccc2-c2nnn[n-]2)CC1 ZINC000738388994 598632535 /nfs/dbraw/zinc/63/25/35/598632535.db2.gz VBKIEYKCCKRCFR-SFHVURJKSA-N -1 3 369.856 3.470 20 0 FGADHM O[C@@H](c1ccccc1)C1CCN(c2c(Cl)cccc2-c2nn[n-]n2)CC1 ZINC000738388994 598632537 /nfs/dbraw/zinc/63/25/37/598632537.db2.gz VBKIEYKCCKRCFR-SFHVURJKSA-N -1 3 369.856 3.470 20 0 FGADHM O=C(NCCSCc1ccccc1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738086089 598633174 /nfs/dbraw/zinc/63/31/74/598633174.db2.gz SRZYVAIFKUSGEL-UHFFFAOYSA-N -1 3 372.429 3.061 20 0 FGADHM O=C(NCCSCc1ccccc1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738086089 598633176 /nfs/dbraw/zinc/63/31/76/598633176.db2.gz SRZYVAIFKUSGEL-UHFFFAOYSA-N -1 3 372.429 3.061 20 0 FGADHM Fc1ccc(-c2nnc(SCc3ccc(F)cc3-c3nnn[n-]3)o2)cc1 ZINC000737651615 598641716 /nfs/dbraw/zinc/64/17/16/598641716.db2.gz LUEIZJICGCRTDC-UHFFFAOYSA-N -1 3 372.360 3.487 20 0 FGADHM Fc1ccc(-c2nnc(SCc3ccc(F)cc3-c3nn[n-]n3)o2)cc1 ZINC000737651615 598641717 /nfs/dbraw/zinc/64/17/17/598641717.db2.gz LUEIZJICGCRTDC-UHFFFAOYSA-N -1 3 372.360 3.487 20 0 FGADHM O=C(NC1CCCCC1)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000738026732 598644312 /nfs/dbraw/zinc/64/43/12/598644312.db2.gz VHRXOLSANYGUCJ-UHFFFAOYSA-N -1 3 364.409 3.117 20 0 FGADHM O=C(NC1CCCCC1)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000738026732 598644314 /nfs/dbraw/zinc/64/43/14/598644314.db2.gz VHRXOLSANYGUCJ-UHFFFAOYSA-N -1 3 364.409 3.117 20 0 FGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000737944263 598651274 /nfs/dbraw/zinc/65/12/74/598651274.db2.gz ZNYFHOHPDXVDMW-NUEKZKHPSA-N -1 3 371.510 3.434 20 0 FGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000737944263 598651275 /nfs/dbraw/zinc/65/12/75/598651275.db2.gz ZNYFHOHPDXVDMW-NUEKZKHPSA-N -1 3 371.510 3.434 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ncoc1C(C)C ZINC000736480246 598651611 /nfs/dbraw/zinc/65/16/11/598651611.db2.gz MPANDLAEIVZVCI-UHFFFAOYSA-N -1 3 354.414 3.031 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ncoc1C(C)C ZINC000736480246 598651613 /nfs/dbraw/zinc/65/16/13/598651613.db2.gz MPANDLAEIVZVCI-UHFFFAOYSA-N -1 3 354.414 3.031 20 0 FGADHM COc1ccccc1[C@@H](C)CC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737143087 598652829 /nfs/dbraw/zinc/65/28/29/598652829.db2.gz SBDYZFICGAEGMA-UONOGXRCSA-N -1 3 365.437 3.246 20 0 FGADHM COc1ccccc1[C@@H](C)CC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737143087 598652831 /nfs/dbraw/zinc/65/28/31/598652831.db2.gz SBDYZFICGAEGMA-UONOGXRCSA-N -1 3 365.437 3.246 20 0 FGADHM Cc1ccc(CNC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)s1 ZINC000737343587 598653052 /nfs/dbraw/zinc/65/30/52/598653052.db2.gz YTFDSGOSBNLMJV-UHFFFAOYSA-N -1 3 371.466 3.102 20 0 FGADHM Cc1ccc(CNC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)s1 ZINC000737343587 598653054 /nfs/dbraw/zinc/65/30/54/598653054.db2.gz YTFDSGOSBNLMJV-UHFFFAOYSA-N -1 3 371.466 3.102 20 0 FGADHM Cc1ncc(NC(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)cn1 ZINC000737497825 598660471 /nfs/dbraw/zinc/66/04/71/598660471.db2.gz HBIGDARWMCGLNX-UHFFFAOYSA-N -1 3 373.376 3.010 20 0 FGADHM Cc1ncc(NC(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)cn1 ZINC000737497825 598660472 /nfs/dbraw/zinc/66/04/72/598660472.db2.gz HBIGDARWMCGLNX-UHFFFAOYSA-N -1 3 373.376 3.010 20 0 FGADHM CC1(NC(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)CCCC1 ZINC000736223074 598665111 /nfs/dbraw/zinc/66/51/11/598665111.db2.gz MFRVMCZZYWPNLV-UHFFFAOYSA-N -1 3 364.409 3.117 20 0 FGADHM CC1(NC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)CCCC1 ZINC000736223074 598665113 /nfs/dbraw/zinc/66/51/13/598665113.db2.gz MFRVMCZZYWPNLV-UHFFFAOYSA-N -1 3 364.409 3.117 20 0 FGADHM CN(CCC1CCCCC1)C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736793295 598668552 /nfs/dbraw/zinc/66/85/52/598668552.db2.gz WFNCACNTVMTOSN-UHFFFAOYSA-N -1 3 359.499 3.388 20 0 FGADHM CN(CCC1CCCCC1)C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736793295 598668554 /nfs/dbraw/zinc/66/85/54/598668554.db2.gz WFNCACNTVMTOSN-UHFFFAOYSA-N -1 3 359.499 3.388 20 0 FGADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000737962022 598670164 /nfs/dbraw/zinc/67/01/64/598670164.db2.gz MUXWWUJEICFSQB-INIZCTEOSA-N -1 3 367.840 3.079 20 0 FGADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000737962022 598670166 /nfs/dbraw/zinc/67/01/66/598670166.db2.gz MUXWWUJEICFSQB-INIZCTEOSA-N -1 3 367.840 3.079 20 0 FGADHM O=C(C=Cc1ccc(Cl)s1)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737800686 598704896 /nfs/dbraw/zinc/70/48/96/598704896.db2.gz ZZDQKSUWBSBMLJ-XQRVVYSFSA-N -1 3 364.789 3.477 20 0 FGADHM O=C(C=Cc1ccc(Cl)s1)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737800686 598704897 /nfs/dbraw/zinc/70/48/97/598704897.db2.gz ZZDQKSUWBSBMLJ-XQRVVYSFSA-N -1 3 364.789 3.477 20 0 FGADHM O=C(CCn1ccc2ccccc21)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737862312 598706949 /nfs/dbraw/zinc/70/69/49/598706949.db2.gz MDQLZVUEFSOISH-UHFFFAOYSA-N -1 3 365.368 3.094 20 0 FGADHM O=C(CCn1ccc2ccccc21)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737862312 598706951 /nfs/dbraw/zinc/70/69/51/598706951.db2.gz MDQLZVUEFSOISH-UHFFFAOYSA-N -1 3 365.368 3.094 20 0 FGADHM O=C(CCCOc1ccccc1F)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737836279 598709774 /nfs/dbraw/zinc/70/97/74/598709774.db2.gz KVADMZMSROPIEJ-UHFFFAOYSA-N -1 3 374.347 3.047 20 0 FGADHM O=C(CCCOc1ccccc1F)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737836279 598709776 /nfs/dbraw/zinc/70/97/76/598709776.db2.gz KVADMZMSROPIEJ-UHFFFAOYSA-N -1 3 374.347 3.047 20 0 FGADHM CC(=CC(=O)OCc1ccc(F)cc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000735448587 598710139 /nfs/dbraw/zinc/71/01/39/598710139.db2.gz SKRUJCJBNATMGI-FLIBITNWSA-N -1 3 356.332 3.292 20 0 FGADHM CC(=CC(=O)OCc1ccc(F)cc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000735448587 598710140 /nfs/dbraw/zinc/71/01/40/598710140.db2.gz SKRUJCJBNATMGI-FLIBITNWSA-N -1 3 356.332 3.292 20 0 FGADHM CC(C)(C)c1nc(C(=O)OCc2ccc(F)cc2-c2nnn[n-]2)cs1 ZINC000735657650 598710221 /nfs/dbraw/zinc/71/02/21/598710221.db2.gz UKOVFHWCXGJMQB-UHFFFAOYSA-N -1 3 361.402 3.117 20 0 FGADHM CC(C)(C)c1nc(C(=O)OCc2ccc(F)cc2-c2nn[n-]n2)cs1 ZINC000735657650 598710223 /nfs/dbraw/zinc/71/02/23/598710223.db2.gz UKOVFHWCXGJMQB-UHFFFAOYSA-N -1 3 361.402 3.117 20 0 FGADHM CC(=CC(=O)OCCOc1cccc(-c2nnn[n-]2)c1)c1cccc(F)c1 ZINC000735446626 598724110 /nfs/dbraw/zinc/72/41/10/598724110.db2.gz CFOOELCNNRFFIW-RAXLEYEMSA-N -1 3 368.368 3.031 20 0 FGADHM CC(=CC(=O)OCCOc1cccc(-c2nn[n-]n2)c1)c1cccc(F)c1 ZINC000735446626 598724111 /nfs/dbraw/zinc/72/41/11/598724111.db2.gz CFOOELCNNRFFIW-RAXLEYEMSA-N -1 3 368.368 3.031 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cnc(-c2ccco2)s1 ZINC000737295668 598737766 /nfs/dbraw/zinc/73/77/66/598737766.db2.gz YSKJWMGJRZALME-UHFFFAOYSA-N -1 3 352.379 3.144 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cnc(-c2ccco2)s1 ZINC000737295668 598737768 /nfs/dbraw/zinc/73/77/68/598737768.db2.gz YSKJWMGJRZALME-UHFFFAOYSA-N -1 3 352.379 3.144 20 0 FGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H](C)Cc1ccccc1 ZINC000736056747 598740947 /nfs/dbraw/zinc/74/09/47/598740947.db2.gz DLRXWSVLTKVCEF-INIZCTEOSA-N -1 3 363.465 3.483 20 0 FGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@H](C)Cc1ccccc1 ZINC000736056747 598740949 /nfs/dbraw/zinc/74/09/49/598740949.db2.gz DLRXWSVLTKVCEF-INIZCTEOSA-N -1 3 363.465 3.483 20 0 FGADHM O=C(Nc1cccc(Oc2ccncc2)c1)c1sccc1-c1nnn[n-]1 ZINC000738183513 598754276 /nfs/dbraw/zinc/75/42/76/598754276.db2.gz IMYGAXTWEDGQAT-UHFFFAOYSA-N -1 3 364.390 3.368 20 0 FGADHM O=C(Nc1cccc(Oc2ccncc2)c1)c1sccc1-c1nn[n-]n1 ZINC000738183513 598754277 /nfs/dbraw/zinc/75/42/77/598754277.db2.gz IMYGAXTWEDGQAT-UHFFFAOYSA-N -1 3 364.390 3.368 20 0 FGADHM CSc1cc2c(cc1NCc1ccc(-c3nnn[n-]3)cc1F)OCCO2 ZINC000737191959 598757426 /nfs/dbraw/zinc/75/74/26/598757426.db2.gz FONWDFOANCBGLT-UHFFFAOYSA-N -1 3 373.413 3.111 20 0 FGADHM CSc1cc2c(cc1NCc1ccc(-c3nn[n-]n3)cc1F)OCCO2 ZINC000737191959 598757428 /nfs/dbraw/zinc/75/74/28/598757428.db2.gz FONWDFOANCBGLT-UHFFFAOYSA-N -1 3 373.413 3.111 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H]1CCC[C@H](C(C)C)C1 ZINC000737062785 598782528 /nfs/dbraw/zinc/78/25/28/598782528.db2.gz NIBLCHXIGNDWNI-JSGCOSHPSA-N -1 3 358.446 3.212 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H]1CCC[C@H](C(C)C)C1 ZINC000737062785 598782529 /nfs/dbraw/zinc/78/25/29/598782529.db2.gz NIBLCHXIGNDWNI-JSGCOSHPSA-N -1 3 358.446 3.212 20 0 FGADHM CC(C)[C@@H](c1ccccc1)N(C)C(=O)COc1ccccc1-c1nnn[n-]1 ZINC000735734279 598791090 /nfs/dbraw/zinc/79/10/90/598791090.db2.gz GRHGUEKPMKNTAZ-IBGZPJMESA-N -1 3 365.437 3.101 20 0 FGADHM CC(C)[C@@H](c1ccccc1)N(C)C(=O)COc1ccccc1-c1nn[n-]n1 ZINC000735734279 598791092 /nfs/dbraw/zinc/79/10/92/598791092.db2.gz GRHGUEKPMKNTAZ-IBGZPJMESA-N -1 3 365.437 3.101 20 0 FGADHM CSc1ccc(N(C)C(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737190464 598791354 /nfs/dbraw/zinc/79/13/54/598791354.db2.gz MMDKCDOLOBKOIG-LBPRGKRZSA-N -1 3 369.450 3.019 20 0 FGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)CO[C@@H]1CCC[C@H](C)C1 ZINC000736264740 598791559 /nfs/dbraw/zinc/79/15/59/598791559.db2.gz XSSAOAGSKDILEG-DZGCQCFKSA-N -1 3 373.457 3.188 20 0 FGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)CO[C@@H]1CCC[C@H](C)C1 ZINC000736264740 598791560 /nfs/dbraw/zinc/79/15/60/598791560.db2.gz XSSAOAGSKDILEG-DZGCQCFKSA-N -1 3 373.457 3.188 20 0 FGADHM Cc1nccn1-c1ccc(CNc2ccc(Cl)cc2-c2nnn[n-]2)cn1 ZINC000737501704 598794922 /nfs/dbraw/zinc/79/49/22/598794922.db2.gz IVUVBEZEIIRJCY-UHFFFAOYSA-N -1 3 366.816 3.021 20 0 FGADHM Cc1nccn1-c1ccc(CNc2ccc(Cl)cc2-c2nn[n-]n2)cn1 ZINC000737501704 598794924 /nfs/dbraw/zinc/79/49/24/598794924.db2.gz IVUVBEZEIIRJCY-UHFFFAOYSA-N -1 3 366.816 3.021 20 0 FGADHM Cc1nc2c(s1)[C@H](OC(=O)CCc1ccc(-c3nnn[n-]3)cc1)CCC2 ZINC000737487881 598801876 /nfs/dbraw/zinc/80/18/76/598801876.db2.gz LBHJTPPYFUEDEZ-OAHLLOKOSA-N -1 3 369.450 3.185 20 0 FGADHM Cc1nc2c(s1)[C@H](OC(=O)CCc1ccc(-c3nn[n-]n3)cc1)CCC2 ZINC000737487881 598801877 /nfs/dbraw/zinc/80/18/77/598801877.db2.gz LBHJTPPYFUEDEZ-OAHLLOKOSA-N -1 3 369.450 3.185 20 0 FGADHM CC[C@H](C)[C@H](C)NC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000736328387 598810143 /nfs/dbraw/zinc/81/01/43/598810143.db2.gz HLCDRAOERHQYKI-STQMWFEESA-N -1 3 369.425 3.203 20 0 FGADHM CC[C@H](C)[C@H](C)NC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000736328387 598810145 /nfs/dbraw/zinc/81/01/45/598810145.db2.gz HLCDRAOERHQYKI-STQMWFEESA-N -1 3 369.425 3.203 20 0 FGADHM Clc1cccc(NCCCn2cnc3ccccc32)c1-c1nnn[n-]1 ZINC000822585546 599316741 /nfs/dbraw/zinc/31/67/41/599316741.db2.gz DJWAFUASWIGMEL-UHFFFAOYSA-N -1 3 353.817 3.372 20 0 FGADHM Clc1cccc(NCCCn2cnc3ccccc32)c1-c1nn[n-]n1 ZINC000822585546 599316743 /nfs/dbraw/zinc/31/67/43/599316743.db2.gz DJWAFUASWIGMEL-UHFFFAOYSA-N -1 3 353.817 3.372 20 0 FGADHM Brc1cccc2c1CN(Cc1cccc(-c3nn[n-]n3)c1)CC2 ZINC000735368987 599320605 /nfs/dbraw/zinc/32/06/05/599320605.db2.gz QYJUDFAQZAVHAO-UHFFFAOYSA-N -1 3 370.254 3.188 20 0 FGADHM O=C(Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)[C@@H]1CCCS1 ZINC000823350325 599323549 /nfs/dbraw/zinc/32/35/49/599323549.db2.gz JFGCKEUTHSQESK-INIZCTEOSA-N -1 3 367.434 3.493 20 0 FGADHM O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)[C@@H]1CCCS1 ZINC000823350325 599323550 /nfs/dbraw/zinc/32/35/50/599323550.db2.gz JFGCKEUTHSQESK-INIZCTEOSA-N -1 3 367.434 3.493 20 0 FGADHM CCc1cccc(C)c1NC(=O)CSc1ccccc1-c1nnn[n-]1 ZINC000821492713 599341692 /nfs/dbraw/zinc/34/16/92/599341692.db2.gz UMYPOJNNAMGNOO-UHFFFAOYSA-N -1 3 353.451 3.468 20 0 FGADHM CCc1cccc(C)c1NC(=O)CSc1ccccc1-c1nn[n-]n1 ZINC000821492713 599341694 /nfs/dbraw/zinc/34/16/94/599341694.db2.gz UMYPOJNNAMGNOO-UHFFFAOYSA-N -1 3 353.451 3.468 20 0 FGADHM Cc1sc(NC(=O)[C@@H](C)N(C)Cc2ccccc2)c(-c2nnn[n-]2)c1C ZINC000737560351 599343108 /nfs/dbraw/zinc/34/31/08/599343108.db2.gz GCGXTZPBDZGGRR-GFCCVEGCSA-N -1 3 370.482 3.004 20 0 FGADHM Cc1sc(NC(=O)[C@@H](C)N(C)Cc2ccccc2)c(-c2nn[n-]n2)c1C ZINC000737560351 599343111 /nfs/dbraw/zinc/34/31/11/599343111.db2.gz GCGXTZPBDZGGRR-GFCCVEGCSA-N -1 3 370.482 3.004 20 0 FGADHM CC(C)n1ncc2cc(CSc3ccccc3-c3nnn[n-]3)cnc21 ZINC000820215479 599349283 /nfs/dbraw/zinc/34/92/83/599349283.db2.gz VXZHJALOMYCXQX-UHFFFAOYSA-N -1 3 351.439 3.485 20 0 FGADHM CC(C)n1ncc2cc(CSc3ccccc3-c3nn[n-]n3)cnc21 ZINC000820215479 599349285 /nfs/dbraw/zinc/34/92/85/599349285.db2.gz VXZHJALOMYCXQX-UHFFFAOYSA-N -1 3 351.439 3.485 20 0 FGADHM C[C@@H](CCC(C)(C)C)NC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000735986020 599379508 /nfs/dbraw/zinc/37/95/08/599379508.db2.gz PILJBVLXWQXUPZ-ZDUSSCGKSA-N -1 3 361.515 3.431 20 0 FGADHM C[C@@H](CCC(C)(C)C)NC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000735986020 599379511 /nfs/dbraw/zinc/37/95/11/599379511.db2.gz PILJBVLXWQXUPZ-ZDUSSCGKSA-N -1 3 361.515 3.431 20 0 FGADHM CCOc1ccccc1OCCOc1ccc(-c2nnn[n-]2)cc1OCC ZINC000821438123 599381087 /nfs/dbraw/zinc/38/10/87/599381087.db2.gz SXCBUNUJKWBFRT-UHFFFAOYSA-N -1 3 370.409 3.122 20 0 FGADHM CCOc1ccccc1OCCOc1ccc(-c2nn[n-]n2)cc1OCC ZINC000821438123 599381090 /nfs/dbraw/zinc/38/10/90/599381090.db2.gz SXCBUNUJKWBFRT-UHFFFAOYSA-N -1 3 370.409 3.122 20 0 FGADHM C[C@H](NC(=O)N[C@@H](C)c1ccc(F)c(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820351246 599398694 /nfs/dbraw/zinc/39/86/94/599398694.db2.gz NMICWAFVMYVLHB-QWRGUYRKSA-N -1 3 372.379 3.266 20 0 FGADHM C[C@H](NC(=O)N[C@@H](C)c1ccc(F)c(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820351246 599398697 /nfs/dbraw/zinc/39/86/97/599398697.db2.gz NMICWAFVMYVLHB-QWRGUYRKSA-N -1 3 372.379 3.266 20 0 FGADHM CC(C)Oc1ncccc1CNc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000735914004 599408699 /nfs/dbraw/zinc/40/86/99/599408699.db2.gz PDEWCECEJBOPIB-UHFFFAOYSA-N -1 3 361.409 3.209 20 0 FGADHM CC(C)Oc1ncccc1CNc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000735914004 599408701 /nfs/dbraw/zinc/40/87/01/599408701.db2.gz PDEWCECEJBOPIB-UHFFFAOYSA-N -1 3 361.409 3.209 20 0 FGADHM CN(Cc1ccn(-c2ccccc2)n1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000736829822 599414062 /nfs/dbraw/zinc/41/40/62/599414062.db2.gz KWHPOCIYJJJDLM-UHFFFAOYSA-N -1 3 365.828 3.342 20 0 FGADHM CN(Cc1ccn(-c2ccccc2)n1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000736829822 599414063 /nfs/dbraw/zinc/41/40/63/599414063.db2.gz KWHPOCIYJJJDLM-UHFFFAOYSA-N -1 3 365.828 3.342 20 0 FGADHM CC(C)[C@H](C(=O)OCC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000824184322 607375722 /nfs/dbraw/zinc/37/57/22/607375722.db2.gz FVZHSKFAIHTWGQ-SFHVURJKSA-N -1 3 364.405 3.032 20 0 FGADHM CC(C)[C@H](C(=O)OCC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000824184322 607375724 /nfs/dbraw/zinc/37/57/24/607375724.db2.gz FVZHSKFAIHTWGQ-SFHVURJKSA-N -1 3 364.405 3.032 20 0 FGADHM CSc1ccc(CNC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821979763 599423114 /nfs/dbraw/zinc/42/31/14/599423114.db2.gz WHNPJVJSFZIPOX-GFCCVEGCSA-N -1 3 368.466 3.149 20 0 FGADHM CSc1ccc(CNC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821979763 599423116 /nfs/dbraw/zinc/42/31/16/599423116.db2.gz WHNPJVJSFZIPOX-GFCCVEGCSA-N -1 3 368.466 3.149 20 0 FGADHM Clc1ccc(-c2nnn[n-]2)c(NCc2ccc3c(c2)OCCCO3)c1 ZINC000737570703 599427347 /nfs/dbraw/zinc/42/73/47/599427347.db2.gz LFRUWPNBDWUWES-UHFFFAOYSA-N -1 3 357.801 3.294 20 0 FGADHM Clc1ccc(-c2nn[n-]n2)c(NCc2ccc3c(c2)OCCCO3)c1 ZINC000737570703 599427350 /nfs/dbraw/zinc/42/73/50/599427350.db2.gz LFRUWPNBDWUWES-UHFFFAOYSA-N -1 3 357.801 3.294 20 0 FGADHM CC1CCC(Oc2cc(CNCc3ccc(-c4nnn[n-]4)o3)ccn2)CC1 ZINC000820691770 599438233 /nfs/dbraw/zinc/43/82/33/599438233.db2.gz ZFRNLZXGURPSMY-UHFFFAOYSA-N -1 3 368.441 3.102 20 0 FGADHM CC1CCC(Oc2cc(CNCc3ccc(-c4nn[n-]n4)o3)ccn2)CC1 ZINC000820691770 599438236 /nfs/dbraw/zinc/43/82/36/599438236.db2.gz ZFRNLZXGURPSMY-UHFFFAOYSA-N -1 3 368.441 3.102 20 0 FGADHM c1ccc2c(c1)CCO[C@@H]2CNc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000738443597 599438700 /nfs/dbraw/zinc/43/87/00/599438700.db2.gz YSOXRYWGVOKOJN-GOSISDBHSA-N -1 3 358.405 3.141 20 0 FGADHM c1ccc2c(c1)CCO[C@@H]2CNc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000738443597 599438705 /nfs/dbraw/zinc/43/87/05/599438705.db2.gz YSOXRYWGVOKOJN-GOSISDBHSA-N -1 3 358.405 3.141 20 0 FGADHM C[C@H]1CCC[C@H](CCNC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC000820697570 599442538 /nfs/dbraw/zinc/44/25/38/599442538.db2.gz JBBVYSYQTZJZSR-QWHCGFSZSA-N -1 3 360.437 3.021 20 0 FGADHM C[C@H]1CCC[C@H](CCNC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC000820697570 599442542 /nfs/dbraw/zinc/44/25/42/599442542.db2.gz JBBVYSYQTZJZSR-QWHCGFSZSA-N -1 3 360.437 3.021 20 0 FGADHM Cc1cc(C(=O)OCC(=O)c2ccc(-c3nnn[n-]3)cc2)c(Cl)cc1F ZINC000826261287 607379303 /nfs/dbraw/zinc/37/93/03/607379303.db2.gz ZCJHYEIMWTXGDZ-UHFFFAOYSA-N -1 3 374.759 3.007 20 0 FGADHM Cc1cc(C(=O)OCC(=O)c2ccc(-c3nn[n-]n3)cc2)c(Cl)cc1F ZINC000826261287 607379304 /nfs/dbraw/zinc/37/93/04/607379304.db2.gz ZCJHYEIMWTXGDZ-UHFFFAOYSA-N -1 3 374.759 3.007 20 0 FGADHM C[C@H]1C[C@H](c2ccc(F)cc2)CN1c1nc2c(cc1-c1nnn[n-]1)CCC2 ZINC000736233658 599472092 /nfs/dbraw/zinc/47/20/92/599472092.db2.gz GCUZPLOCULUVOV-WFASDCNBSA-N -1 3 364.428 3.272 20 0 FGADHM C[C@H]1C[C@H](c2ccc(F)cc2)CN1c1nc2c(cc1-c1nn[n-]n1)CCC2 ZINC000736233658 599472093 /nfs/dbraw/zinc/47/20/93/599472093.db2.gz GCUZPLOCULUVOV-WFASDCNBSA-N -1 3 364.428 3.272 20 0 FGADHM Fc1ccc(C[C@H]2CCN(c3ncc(-c4nnn[n-]4)cc3Cl)C2)cc1 ZINC000737650613 599473508 /nfs/dbraw/zinc/47/35/08/599473508.db2.gz QBPKBTNGXBNKOD-GFCCVEGCSA-N -1 3 358.808 3.123 20 0 FGADHM Fc1ccc(C[C@H]2CCN(c3ncc(-c4nn[n-]n4)cc3Cl)C2)cc1 ZINC000737650613 599473510 /nfs/dbraw/zinc/47/35/10/599473510.db2.gz QBPKBTNGXBNKOD-GFCCVEGCSA-N -1 3 358.808 3.123 20 0 FGADHM C[C@@H](NC(=O)N(C)Cc1ccc(F)cc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000820340433 599482654 /nfs/dbraw/zinc/48/26/54/599482654.db2.gz KLSZXTOYLKXDIS-LLVKDONJSA-N -1 3 372.379 3.048 20 0 FGADHM C[C@@H](NC(=O)N(C)Cc1ccc(F)cc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000820340433 599482657 /nfs/dbraw/zinc/48/26/57/599482657.db2.gz KLSZXTOYLKXDIS-LLVKDONJSA-N -1 3 372.379 3.048 20 0 FGADHM CN(Cc1cccc(Br)c1)c1ccc(F)cc1-c1nnn[n-]1 ZINC000821613210 599487022 /nfs/dbraw/zinc/48/70/22/599487022.db2.gz CCEBECXGAAQDPF-UHFFFAOYSA-N -1 3 362.206 3.405 20 0 FGADHM CN(Cc1cccc(Br)c1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000821613210 599487023 /nfs/dbraw/zinc/48/70/23/599487023.db2.gz CCEBECXGAAQDPF-UHFFFAOYSA-N -1 3 362.206 3.405 20 0 FGADHM C[C@@H]1CN(c2c(-c3nnn[n-]3)cnc3ccccc32)C[C@H](c2ccccc2)O1 ZINC000820767310 599495569 /nfs/dbraw/zinc/49/55/69/599495569.db2.gz HXEOJPDYUHQVLC-AUUYWEPGSA-N -1 3 372.432 3.381 20 0 FGADHM C[C@@H]1CN(c2c(-c3nn[n-]n3)cnc3ccccc32)C[C@H](c2ccccc2)O1 ZINC000820767310 599495571 /nfs/dbraw/zinc/49/55/71/599495571.db2.gz HXEOJPDYUHQVLC-AUUYWEPGSA-N -1 3 372.432 3.381 20 0 FGADHM C[C@@H](Nc1ccc(F)cc1-c1nnn[n-]1)c1ccc(N2CCOC2=O)cc1 ZINC000820455343 599496807 /nfs/dbraw/zinc/49/68/07/599496807.db2.gz HLDRXQXJWBJXDA-LLVKDONJSA-N -1 3 368.372 3.136 20 0 FGADHM C[C@@H](Nc1ccc(F)cc1-c1nn[n-]n1)c1ccc(N2CCOC2=O)cc1 ZINC000820455343 599496809 /nfs/dbraw/zinc/49/68/09/599496809.db2.gz HLDRXQXJWBJXDA-LLVKDONJSA-N -1 3 368.372 3.136 20 0 FGADHM Cc1csc([C@@H]2CCCN(c3c(F)cc(-c4nnn[n-]4)cc3F)C2)n1 ZINC000822408928 599509047 /nfs/dbraw/zinc/50/90/47/599509047.db2.gz IYWPYIDKENAVNI-SNVBAGLBSA-N -1 3 362.409 3.294 20 0 FGADHM Cc1csc([C@@H]2CCCN(c3c(F)cc(-c4nn[n-]n4)cc3F)C2)n1 ZINC000822408928 599509049 /nfs/dbraw/zinc/50/90/49/599509049.db2.gz IYWPYIDKENAVNI-SNVBAGLBSA-N -1 3 362.409 3.294 20 0 FGADHM Clc1cccc(-c2nnn[n-]2)c1NCc1ccc(OCC2CC2)nc1 ZINC000822585599 599509571 /nfs/dbraw/zinc/50/95/71/599509571.db2.gz GREBYFSDYVIVPU-UHFFFAOYSA-N -1 3 356.817 3.316 20 0 FGADHM Clc1cccc(-c2nn[n-]n2)c1NCc1ccc(OCC2CC2)nc1 ZINC000822585599 599509577 /nfs/dbraw/zinc/50/95/77/599509577.db2.gz GREBYFSDYVIVPU-UHFFFAOYSA-N -1 3 356.817 3.316 20 0 FGADHM Cc1c(Cl)cccc1NC(=O)CCNc1ccc(F)cc1-c1nnn[n-]1 ZINC000822035717 599514128 /nfs/dbraw/zinc/51/41/28/599514128.db2.gz YTLXGTLLDPQGGI-UHFFFAOYSA-N -1 3 374.807 3.408 20 0 FGADHM Cc1c(Cl)cccc1NC(=O)CCNc1ccc(F)cc1-c1nn[n-]n1 ZINC000822035717 599514131 /nfs/dbraw/zinc/51/41/31/599514131.db2.gz YTLXGTLLDPQGGI-UHFFFAOYSA-N -1 3 374.807 3.408 20 0 FGADHM CCCCOC(=O)c1ccc(NCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736461842 599518703 /nfs/dbraw/zinc/51/87/03/599518703.db2.gz ZDNHKWFJRRCEOJ-UHFFFAOYSA-N -1 3 351.410 3.436 20 0 FGADHM CCCCOC(=O)c1ccc(NCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736461842 599518705 /nfs/dbraw/zinc/51/87/05/599518705.db2.gz ZDNHKWFJRRCEOJ-UHFFFAOYSA-N -1 3 351.410 3.436 20 0 FGADHM C[C@@H](SC[C@@H](O)COc1ccc(-c2nn[n-]n2)cc1)c1cccs1 ZINC000736188537 599521480 /nfs/dbraw/zinc/52/14/80/599521480.db2.gz KVKLOJSGCWNKMX-YPMHNXCESA-N -1 3 362.480 3.162 20 0 FGADHM C[C@H](SCC(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1cccs1 ZINC000736192471 599524038 /nfs/dbraw/zinc/52/40/38/599524038.db2.gz ZEYOEYRYNGGLSO-NSHDSACASA-N -1 3 359.480 3.039 20 0 FGADHM C[C@H](SCC(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1cccs1 ZINC000736192471 599524039 /nfs/dbraw/zinc/52/40/39/599524039.db2.gz ZEYOEYRYNGGLSO-NSHDSACASA-N -1 3 359.480 3.039 20 0 FGADHM Cc1ccccc1[C@H]1C[C@H](C)N(c2nc3c(cc2-c2nnn[n-]2)CCC3)C1 ZINC000737425164 599529346 /nfs/dbraw/zinc/52/93/46/599529346.db2.gz ZOVWECSYCGCMGS-HOCLYGCPSA-N -1 3 360.465 3.441 20 0 FGADHM Cc1ccccc1[C@H]1C[C@H](C)N(c2nc3c(cc2-c2nn[n-]n2)CCC3)C1 ZINC000737425164 599529347 /nfs/dbraw/zinc/52/93/47/599529347.db2.gz ZOVWECSYCGCMGS-HOCLYGCPSA-N -1 3 360.465 3.441 20 0 FGADHM CC(C)n1ccc(CNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)n1 ZINC000735966840 599532064 /nfs/dbraw/zinc/53/20/64/599532064.db2.gz XOUVZPSBOPKTTJ-UHFFFAOYSA-N -1 3 351.336 3.275 20 0 FGADHM CC(C)n1ccc(CNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)n1 ZINC000735966840 599532067 /nfs/dbraw/zinc/53/20/67/599532067.db2.gz XOUVZPSBOPKTTJ-UHFFFAOYSA-N -1 3 351.336 3.275 20 0 FGADHM Cc1nc(-c2ccco2)ccc1C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822422986 599538240 /nfs/dbraw/zinc/53/82/40/599538240.db2.gz GVSIJJUHODVGFR-GFCCVEGCSA-N -1 3 374.404 3.321 20 0 FGADHM Cc1nc(-c2ccco2)ccc1C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822422986 599538241 /nfs/dbraw/zinc/53/82/41/599538241.db2.gz GVSIJJUHODVGFR-GFCCVEGCSA-N -1 3 374.404 3.321 20 0 FGADHM O=C(N[C@@H]1CCC[C@@H]1Cc1ccccc1)c1sccc1-c1nnn[n-]1 ZINC000738022413 599550174 /nfs/dbraw/zinc/55/01/74/599550174.db2.gz CZEOGHQKTDJUKM-UKRRQHHQSA-N -1 3 353.451 3.069 20 0 FGADHM O=C(N[C@@H]1CCC[C@@H]1Cc1ccccc1)c1sccc1-c1nn[n-]n1 ZINC000738022413 599550176 /nfs/dbraw/zinc/55/01/76/599550176.db2.gz CZEOGHQKTDJUKM-UKRRQHHQSA-N -1 3 353.451 3.069 20 0 FGADHM Cc1ccc(C[C@H](C)N(C)C(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000737334449 599553588 /nfs/dbraw/zinc/55/35/88/599553588.db2.gz HNPCHDCEPXWZST-AHKFDXCISA-N -1 3 361.449 3.278 20 0 FGADHM Cc1ccc(C[C@H](C)N(C)C(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000737334449 599553589 /nfs/dbraw/zinc/55/35/89/599553589.db2.gz HNPCHDCEPXWZST-AHKFDXCISA-N -1 3 361.449 3.278 20 0 FGADHM CCOC[C@H]1CCCN(c2c(-c3nnn[n-]3)cnc3c(C)cc(C)cc32)C1 ZINC000821368711 599557627 /nfs/dbraw/zinc/55/76/27/599557627.db2.gz VAQOWKACHJTSKK-HNNXBMFYSA-N -1 3 366.469 3.285 20 0 FGADHM CCOC[C@H]1CCCN(c2c(-c3nn[n-]n3)cnc3c(C)cc(C)cc32)C1 ZINC000821368711 599557629 /nfs/dbraw/zinc/55/76/29/599557629.db2.gz VAQOWKACHJTSKK-HNNXBMFYSA-N -1 3 366.469 3.285 20 0 FGADHM CCCC(O)(CCC)CNc1c(-c2nnn[n-]2)cnc2c(C)cc(F)cc21 ZINC000821021363 599565621 /nfs/dbraw/zinc/56/56/21/599565621.db2.gz NSBIPQVTKOAIAX-UHFFFAOYSA-N -1 3 372.448 3.028 20 0 FGADHM CCCC(O)(CCC)CNc1c(-c2nn[n-]n2)cnc2c(C)cc(F)cc21 ZINC000821021363 599565623 /nfs/dbraw/zinc/56/56/23/599565623.db2.gz NSBIPQVTKOAIAX-UHFFFAOYSA-N -1 3 372.448 3.028 20 0 FGADHM CN(C(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1)c1cccnc1 ZINC000736742223 599569722 /nfs/dbraw/zinc/56/97/22/599569722.db2.gz YCUHYGFFTZLANS-UHFFFAOYSA-N -1 3 371.404 3.282 20 0 FGADHM Clc1cc(-c2nnn[n-]2)cnc1Nc1ccc(N2CCSCC2)cc1 ZINC000822568172 599574114 /nfs/dbraw/zinc/57/41/14/599574114.db2.gz NFJOWAQMSFFTIL-UHFFFAOYSA-N -1 3 373.873 3.212 20 0 FGADHM Clc1cc(-c2nn[n-]n2)cnc1Nc1ccc(N2CCSCC2)cc1 ZINC000822568172 599574115 /nfs/dbraw/zinc/57/41/15/599574115.db2.gz NFJOWAQMSFFTIL-UHFFFAOYSA-N -1 3 373.873 3.212 20 0 FGADHM COc1ccc([C@H](C)CCNc2nc3c(cc2-c2nnn[n-]2)CCC3)cc1 ZINC000821777547 599587890 /nfs/dbraw/zinc/58/78/90/599587890.db2.gz HZLACLJVQLYSEM-CYBMUJFWSA-N -1 3 364.453 3.365 20 0 FGADHM COc1ccc([C@H](C)CCNc2nc3c(cc2-c2nn[n-]n2)CCC3)cc1 ZINC000821777547 599587892 /nfs/dbraw/zinc/58/78/92/599587892.db2.gz HZLACLJVQLYSEM-CYBMUJFWSA-N -1 3 364.453 3.365 20 0 FGADHM COc1ccc([C@H](C)CCNc2nc(C)cc(C)c2-c2nnn[n-]2)cc1 ZINC000821777911 599588895 /nfs/dbraw/zinc/58/88/95/599588895.db2.gz OOGBXFUAFWBUSR-GFCCVEGCSA-N -1 3 352.442 3.493 20 0 FGADHM COc1ccc([C@H](C)CCNc2nc(C)cc(C)c2-c2nn[n-]n2)cc1 ZINC000821777911 599588897 /nfs/dbraw/zinc/58/88/97/599588897.db2.gz OOGBXFUAFWBUSR-GFCCVEGCSA-N -1 3 352.442 3.493 20 0 FGADHM CC(C)OCCOC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735903468 599607006 /nfs/dbraw/zinc/60/70/06/599607006.db2.gz GERGYGLHMWULBV-UHFFFAOYSA-N -1 3 367.409 3.192 20 0 FGADHM CC(C)(C)CCC(=O)OCCOc1c(-c2nnn[n-]2)cnc2ccccc21 ZINC000735602235 599617039 /nfs/dbraw/zinc/61/70/39/599617039.db2.gz BKAQKLZLQZCZKZ-UHFFFAOYSA-N -1 3 369.425 3.163 20 0 FGADHM CC(C)(C)CCC(=O)OCCOc1c(-c2nn[n-]n2)cnc2ccccc21 ZINC000735602235 599617041 /nfs/dbraw/zinc/61/70/41/599617041.db2.gz BKAQKLZLQZCZKZ-UHFFFAOYSA-N -1 3 369.425 3.163 20 0 FGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000823430888 599623650 /nfs/dbraw/zinc/62/36/50/599623650.db2.gz LDTDGUGCOMJTQZ-GHTZIAJQSA-N -1 3 360.417 3.204 20 0 FGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000823430888 599623651 /nfs/dbraw/zinc/62/36/51/599623651.db2.gz LDTDGUGCOMJTQZ-GHTZIAJQSA-N -1 3 360.417 3.204 20 0 FGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1)[C@H]1SCCc2sccc21 ZINC000823431545 599624249 /nfs/dbraw/zinc/62/42/49/599624249.db2.gz RAFPVOSZYKAYPC-AWEZNQCLSA-N -1 3 358.448 3.002 20 0 FGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1)[C@H]1SCCc2sccc21 ZINC000823431545 599624250 /nfs/dbraw/zinc/62/42/50/599624250.db2.gz RAFPVOSZYKAYPC-AWEZNQCLSA-N -1 3 358.448 3.002 20 0 FGADHM O=C(OCCOc1ccc(-c2nn[n-]n2)cc1)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000823409420 599624287 /nfs/dbraw/zinc/62/42/87/599624287.db2.gz HDUGNDDBEFLSQX-IAGOWNOFSA-N -1 3 356.426 3.005 20 0 FGADHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)[C@H](C)c1cccc(F)c1 ZINC000820287535 599624361 /nfs/dbraw/zinc/62/43/61/599624361.db2.gz NGWLOZRFKXIKLU-CHWSQXEVSA-N -1 3 370.384 3.120 20 0 FGADHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)[C@H](C)c1cccc(F)c1 ZINC000820287535 599624362 /nfs/dbraw/zinc/62/43/62/599624362.db2.gz NGWLOZRFKXIKLU-CHWSQXEVSA-N -1 3 370.384 3.120 20 0 FGADHM CC(C)(C)SCC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000819950252 599633415 /nfs/dbraw/zinc/63/34/15/599633415.db2.gz GNXAOLDNAGBFOE-UHFFFAOYSA-N -1 3 359.377 3.356 20 0 FGADHM CC(C)(C)SCC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000819950252 599633416 /nfs/dbraw/zinc/63/34/16/599633416.db2.gz GNXAOLDNAGBFOE-UHFFFAOYSA-N -1 3 359.377 3.356 20 0 FGADHM CC(C)C[C@H](C)CC(=O)OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000820056736 599659748 /nfs/dbraw/zinc/65/97/48/599659748.db2.gz RHHMOXWYLQXXJY-LBPRGKRZSA-N -1 3 370.413 3.032 20 0 FGADHM CC(C)C[C@H](C)CC(=O)OCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000820056736 599659749 /nfs/dbraw/zinc/65/97/49/599659749.db2.gz RHHMOXWYLQXXJY-LBPRGKRZSA-N -1 3 370.413 3.032 20 0 FGADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)N[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000823235170 599667829 /nfs/dbraw/zinc/66/78/29/599667829.db2.gz SEVFZYSXIMTKGR-DVOMOZLQSA-N -1 3 372.448 3.164 20 0 FGADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)N[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000823235170 599667830 /nfs/dbraw/zinc/66/78/30/599667830.db2.gz SEVFZYSXIMTKGR-DVOMOZLQSA-N -1 3 372.448 3.164 20 0 FGADHM C[C@@H](CCc1ccccc1F)C(=O)OCc1cc(-c2nnn[n-]2)ccc1F ZINC000820254777 599669957 /nfs/dbraw/zinc/66/99/57/599669957.db2.gz WYDXTLISHJEPDQ-LBPRGKRZSA-N -1 3 372.375 3.457 20 0 FGADHM C[C@@H](CCc1ccccc1F)C(=O)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000820254777 599669958 /nfs/dbraw/zinc/66/99/58/599669958.db2.gz WYDXTLISHJEPDQ-LBPRGKRZSA-N -1 3 372.375 3.457 20 0 FGADHM CC(C)C[C@@H](CCO)CNc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000820055275 599686329 /nfs/dbraw/zinc/68/63/29/599686329.db2.gz HIZRXOPDBHMDLZ-LLVKDONJSA-N -1 3 357.380 3.342 20 0 FGADHM CCCC[C@@H](C(=O)[O-])N1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000736978942 599706491 /nfs/dbraw/zinc/70/64/91/599706491.db2.gz LUTFNMJQKCBNMX-HNNXBMFYSA-N -1 3 372.387 3.107 20 0 FGADHM CN(C)[C@H](CNC(=O)Nc1ccc(F)c(NC(=O)[O-])c1)c1ccccc1 ZINC000737357519 599715878 /nfs/dbraw/zinc/71/58/78/599715878.db2.gz BZFIQKNHXOLQDP-MRXNPFEDSA-N -1 3 360.389 3.340 20 0 FGADHM O=C([O-])[C@@H](NCc1cccc(C(=O)NCc2ccco2)c1)c1ccccc1 ZINC000738501610 599787404 /nfs/dbraw/zinc/78/74/04/599787404.db2.gz XPGFKASOVYAHHM-IBGZPJMESA-N -1 3 364.401 3.125 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@@H]1C[C@@H]1c1sccc1C ZINC000825608708 607398949 /nfs/dbraw/zinc/39/89/49/607398949.db2.gz CPZOITACCBPXNS-QWHCGFSZSA-N -1 3 370.434 3.344 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@@H]1C[C@@H]1c1sccc1C ZINC000825608708 607398951 /nfs/dbraw/zinc/39/89/51/607398951.db2.gz CPZOITACCBPXNS-QWHCGFSZSA-N -1 3 370.434 3.344 20 0 FGADHM Cc1noc(C(C)C)c1C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000822519419 607397976 /nfs/dbraw/zinc/39/79/76/607397976.db2.gz GKTITNUYDURULO-UHFFFAOYSA-N -1 3 370.413 3.326 20 0 FGADHM Cc1noc(C(C)C)c1C(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000822519419 607397978 /nfs/dbraw/zinc/39/79/78/607397978.db2.gz GKTITNUYDURULO-UHFFFAOYSA-N -1 3 370.413 3.326 20 0 FGADHM CCCOc1ccc(CN[C@H]2CCCN(C(=O)[O-])C2)c(OCCC)c1 ZINC000737031855 599859676 /nfs/dbraw/zinc/85/96/76/599859676.db2.gz RXMNRTRXSJMOPE-INIZCTEOSA-N -1 3 350.459 3.496 20 0 FGADHM COc1ccc(CCCC(=O)OCc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000826191551 607403910 /nfs/dbraw/zinc/40/39/10/607403910.db2.gz JHWZYONZKVHTJA-UHFFFAOYSA-N -1 3 366.421 3.250 20 0 FGADHM COc1ccc(CCCC(=O)OCc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000826191551 607403912 /nfs/dbraw/zinc/40/39/12/607403912.db2.gz JHWZYONZKVHTJA-UHFFFAOYSA-N -1 3 366.421 3.250 20 0 FGADHM CCCC(=O)N[C@H]1CCCN(Cc2c3ccccc3sc2C(=O)[O-])C1 ZINC000736952457 599938516 /nfs/dbraw/zinc/93/85/16/599938516.db2.gz UJXTUPVIOAFUOU-ZDUSSCGKSA-N -1 3 360.479 3.480 20 0 FGADHM CC[C@H](C(=O)OCc1cc(-c2nnn[n-]2)ccc1OC)c1ccccc1 ZINC000820847387 607408286 /nfs/dbraw/zinc/40/82/86/607408286.db2.gz CTVCIGUYENQKPG-INIZCTEOSA-N -1 3 352.394 3.112 20 0 FGADHM CC[C@H](C(=O)OCc1cc(-c2nn[n-]n2)ccc1OC)c1ccccc1 ZINC000820847387 607408287 /nfs/dbraw/zinc/40/82/87/607408287.db2.gz CTVCIGUYENQKPG-INIZCTEOSA-N -1 3 352.394 3.112 20 0 FGADHM CCOCCN1CCN(Cc2c3ccccc3sc2C(=O)[O-])C[C@@H]1C ZINC000737176578 599961447 /nfs/dbraw/zinc/96/14/47/599961447.db2.gz GGYSQXSZSMLOIV-AWEZNQCLSA-N -1 3 362.495 3.142 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)CCCOc1ccc(F)cc1 ZINC000826253684 607409637 /nfs/dbraw/zinc/40/96/37/607409637.db2.gz YXPFCFGGYRRDDX-UHFFFAOYSA-N -1 3 370.384 3.217 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)CCCOc1ccc(F)cc1 ZINC000826253684 607409638 /nfs/dbraw/zinc/40/96/38/607409638.db2.gz YXPFCFGGYRRDDX-UHFFFAOYSA-N -1 3 370.384 3.217 20 0 FGADHM CC(C)c1nn(C)c(N(C)C)c1CN[C@@H](CCC(=O)[O-])c1ccccc1 ZINC000736533534 599982021 /nfs/dbraw/zinc/98/20/21/599982021.db2.gz YADUTAIZTLYHLC-KRWDZBQOSA-N -1 3 358.486 3.305 20 0 FGADHM Cc1cccc(CN(CCN(C)C)C(=O)Nc2cccc(C(=O)[O-])c2)c1 ZINC000738708180 599987703 /nfs/dbraw/zinc/98/77/03/599987703.db2.gz JJNMIVNWJHCSFT-UHFFFAOYSA-N -1 3 355.438 3.289 20 0 FGADHM CC(C)c1ccc([C@@H](NCC(=O)N2CCC(C(=O)[O-])CC2)C(C)C)cc1 ZINC000736513640 600055626 /nfs/dbraw/zinc/05/56/26/600055626.db2.gz UEPRHALPDBAQDE-FQEVSTJZSA-N -1 3 360.498 3.420 20 0 FGADHM CN(C)CCN(Cc1ccc(F)cc1)C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000737370803 600066196 /nfs/dbraw/zinc/06/61/96/600066196.db2.gz UYJSUJOJJRKTIA-UHFFFAOYSA-N -1 3 372.440 3.047 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)CC/C=C\c1ccccc1 ZINC000821741962 607418344 /nfs/dbraw/zinc/41/83/44/607418344.db2.gz WBHSHFKIHNKSIH-UITAMQMPSA-N -1 3 364.405 3.412 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)CC/C=C\c1ccccc1 ZINC000821741962 607418347 /nfs/dbraw/zinc/41/83/47/607418347.db2.gz WBHSHFKIHNKSIH-UITAMQMPSA-N -1 3 364.405 3.412 20 0 FGADHM O=C(Cc1ccc(F)cc1Cl)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826422742 607418480 /nfs/dbraw/zinc/41/84/80/607418480.db2.gz KKRIHTORHZYRKJ-UHFFFAOYSA-N -1 3 371.803 3.007 20 0 FGADHM O=C(Cc1ccc(F)cc1Cl)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826422742 607418483 /nfs/dbraw/zinc/41/84/83/607418483.db2.gz KKRIHTORHZYRKJ-UHFFFAOYSA-N -1 3 371.803 3.007 20 0 FGADHM O=C(C=Cc1ccc(Cl)s1)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826401181 607419818 /nfs/dbraw/zinc/41/98/18/607419818.db2.gz RPBZGCXWRAWTBN-FNORWQNLSA-N -1 3 371.853 3.400 20 0 FGADHM O=C(C=Cc1ccc(Cl)s1)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826401181 607419819 /nfs/dbraw/zinc/41/98/19/607419819.db2.gz RPBZGCXWRAWTBN-FNORWQNLSA-N -1 3 371.853 3.400 20 0 FGADHM CCc1sc(C(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)cc1C ZINC000825782924 607422202 /nfs/dbraw/zinc/42/22/02/607422202.db2.gz VKKSWRDIRCJMTB-UHFFFAOYSA-N -1 3 353.451 3.218 20 0 FGADHM CCc1sc(C(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)cc1C ZINC000825782924 607422204 /nfs/dbraw/zinc/42/22/04/607422204.db2.gz VKKSWRDIRCJMTB-UHFFFAOYSA-N -1 3 353.451 3.218 20 0 FGADHM CC[C@@]([NH2+]Cc1cc(=O)oc2c(C)c([O-])ccc12)(C(=O)[O-])c1ccccc1 ZINC000736918262 600129721 /nfs/dbraw/zinc/12/97/21/600129721.db2.gz RYMRUKRNUJNDQH-NRFANRHFSA-N -1 3 367.401 3.287 20 0 FGADHM O=C(NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1ccc(Cl)cc1F ZINC000826428034 607424666 /nfs/dbraw/zinc/42/46/66/607424666.db2.gz LZFDCSAMTJBKQX-UHFFFAOYSA-N -1 3 357.776 3.078 20 0 FGADHM O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1ccc(Cl)cc1F ZINC000826428034 607424667 /nfs/dbraw/zinc/42/46/67/607424667.db2.gz LZFDCSAMTJBKQX-UHFFFAOYSA-N -1 3 357.776 3.078 20 0 FGADHM CS[C@H]1CCCCN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC000821956476 607424952 /nfs/dbraw/zinc/42/49/52/607424952.db2.gz PMRYNKUHYPZYCL-NSHDSACASA-N -1 3 366.878 3.270 20 0 FGADHM CS[C@H]1CCCCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC000821956476 607424953 /nfs/dbraw/zinc/42/49/53/607424953.db2.gz PMRYNKUHYPZYCL-NSHDSACASA-N -1 3 366.878 3.270 20 0 FGADHM CCC[C@](C)(NCc1csc(-c2ccc(C(=O)OC)cc2)n1)C(=O)[O-] ZINC000736962681 600155629 /nfs/dbraw/zinc/15/56/29/600155629.db2.gz LPIFDRXRLBGEAW-SFHVURJKSA-N -1 3 362.451 3.330 20 0 FGADHM CC(C)Oc1ccc(NC(=O)NCc2ccsc2)cc1-c1nnn[n-]1 ZINC000820170043 607426207 /nfs/dbraw/zinc/42/62/07/607426207.db2.gz ONSYPEKWHNPAEU-UHFFFAOYSA-N -1 3 358.427 3.037 20 0 FGADHM CC(C)Oc1ccc(NC(=O)NCc2ccsc2)cc1-c1nn[n-]n1 ZINC000820170043 607426208 /nfs/dbraw/zinc/42/62/08/607426208.db2.gz ONSYPEKWHNPAEU-UHFFFAOYSA-N -1 3 358.427 3.037 20 0 FGADHM CC1CCC(N2CCN(C(=O)Nc3ccc(CCC(=O)[O-])cc3)CC2)CC1 ZINC000736767922 600183565 /nfs/dbraw/zinc/18/35/65/600183565.db2.gz HGJGLUUVDVUTIR-UHFFFAOYSA-N -1 3 373.497 3.432 20 0 FGADHM CC(C)CNC(=O)c1cccc(CN(C)[C@H](C(=O)[O-])c2ccccc2)c1 ZINC000736440399 600215446 /nfs/dbraw/zinc/21/54/46/600215446.db2.gz MPXQQFZDCBCKBV-IBGZPJMESA-N -1 3 354.450 3.330 20 0 FGADHM O=C([O-])c1ccc(OC[C@@H](O)CN2CCC(c3ccccc3F)CC2)cc1 ZINC000740161410 600217628 /nfs/dbraw/zinc/21/76/28/600217628.db2.gz QRPWGXNAHULQIJ-KRWDZBQOSA-N -1 3 373.424 3.143 20 0 FGADHM CC(C)Oc1ccc(NC(=O)N([C@H](C)C2CC2)C2CC2)cc1-c1nnn[n-]1 ZINC000820164362 607429270 /nfs/dbraw/zinc/42/92/70/607429270.db2.gz JCTNKSOHZNSVCH-GFCCVEGCSA-N -1 3 370.457 3.449 20 0 FGADHM CC(C)Oc1ccc(NC(=O)N([C@H](C)C2CC2)C2CC2)cc1-c1nn[n-]n1 ZINC000820164362 607429272 /nfs/dbraw/zinc/42/92/72/607429272.db2.gz JCTNKSOHZNSVCH-GFCCVEGCSA-N -1 3 370.457 3.449 20 0 FGADHM CCc1ccc([C@H](C)NC(=O)[C@H](C)N2CCC3(C[C@H]3C(=O)[O-])CC2)cc1 ZINC000737257910 600293137 /nfs/dbraw/zinc/29/31/37/600293137.db2.gz SJXRTHGXOHNGFC-MPGHIAIKSA-N -1 3 358.482 3.001 20 0 FGADHM CC1CCC(N2CCN(C(=O)Nc3ccc(CNC(=O)[O-])cc3)CC2)CC1 ZINC000736768527 600357555 /nfs/dbraw/zinc/35/75/55/600357555.db2.gz KVZCUKFYVCJZQW-UHFFFAOYSA-N -1 3 374.485 3.182 20 0 FGADHM CC(C)(C)CCN1CCN(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)CC1 ZINC000736249254 600384260 /nfs/dbraw/zinc/38/42/60/600384260.db2.gz UNZRFKSTCRNWEE-UHFFFAOYSA-N -1 3 351.422 3.110 20 0 FGADHM O=C([O-])[C@H](c1cccc(Cl)c1)N1CCC(CC(=O)N2CCCC2)CC1 ZINC000739516037 600398471 /nfs/dbraw/zinc/39/84/71/600398471.db2.gz KBSMZTJUSZUZOH-SFHVURJKSA-N -1 3 364.873 3.190 20 0 FGADHM O=C([O-])[C@@H](c1ccccc1)N1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000738523984 600403973 /nfs/dbraw/zinc/40/39/73/600403973.db2.gz GBJCOVYJCPWRAP-GOSISDBHSA-N -1 3 354.406 3.019 20 0 FGADHM O=C([O-])[C@@H](NCc1ccc(C(=O)N2CCCC2)cc1)c1cccc(Cl)c1 ZINC000739499381 600420860 /nfs/dbraw/zinc/42/08/60/600420860.db2.gz JHEQJTIPQGULCK-SFHVURJKSA-N -1 3 372.852 3.492 20 0 FGADHM CC(C)CC(C)(C)CNC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000824228261 607457969 /nfs/dbraw/zinc/45/79/69/607457969.db2.gz GXVDDHWXUAZZAA-UHFFFAOYSA-N -1 3 356.474 3.227 20 0 FGADHM CC(C)CC(C)(C)CNC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000824228261 607457970 /nfs/dbraw/zinc/45/79/70/607457970.db2.gz GXVDDHWXUAZZAA-UHFFFAOYSA-N -1 3 356.474 3.227 20 0 FGADHM COCCN(CCC(=O)[O-])Cc1cc(=O)oc2cc(C)c(C(C)C)cc12 ZINC000737794970 600641870 /nfs/dbraw/zinc/64/18/70/600641870.db2.gz UVKVWBCCPWOQKS-UHFFFAOYSA-N -1 3 361.438 3.148 20 0 FGADHM Cc1cc(C)cc([C@@H](O)CN2CCN(c3ccc(C(=O)[O-])cc3)C[C@@H]2C)c1 ZINC000832875993 600690255 /nfs/dbraw/zinc/69/02/55/600690255.db2.gz ZQFKWZYBNYUDBK-UWJYYQICSA-N -1 3 368.477 3.246 20 0 FGADHM O[C@H](C[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1F)c1ccc(F)cc1 ZINC000823675090 607468953 /nfs/dbraw/zinc/46/89/53/607468953.db2.gz UNZGVRRSCULJLR-CRAIPNDOSA-N -1 3 371.391 3.237 20 0 FGADHM COc1cc2c(cc1CNc1c(F)cc(-c3nnn[n-]3)cc1F)O[C@@H](C)C2 ZINC000821727236 607469528 /nfs/dbraw/zinc/46/95/28/607469528.db2.gz DZBDTMPUKGRSQN-VIFPVBQESA-N -1 3 373.363 3.089 20 0 FGADHM COc1cc2c(cc1CNc1c(F)cc(-c3nn[n-]n3)cc1F)O[C@@H](C)C2 ZINC000821727236 607469529 /nfs/dbraw/zinc/46/95/29/607469529.db2.gz DZBDTMPUKGRSQN-VIFPVBQESA-N -1 3 373.363 3.089 20 0 FGADHM Cc1ccc([C@@H]2CCC[C@H]2N(C)CC(=O)N[C@@H](CC(C)C)C(=O)[O-])cc1 ZINC000832928076 600839127 /nfs/dbraw/zinc/83/91/27/600839127.db2.gz ACYYWQUQNHUDOX-GBESFXJTSA-N -1 3 360.498 3.178 20 0 FGADHM COc1ccc(CN(Cc2ccccc2F)C2CC2)cc1-c1nnn[n-]1 ZINC000826193473 607480687 /nfs/dbraw/zinc/48/06/87/607480687.db2.gz DYHRYANDQBELLV-UHFFFAOYSA-N -1 3 353.401 3.179 20 0 FGADHM Fc1cc(-c2nnn[n-]2)ccc1CNCc1coc(-c2cccs2)n1 ZINC000822744034 607477675 /nfs/dbraw/zinc/47/76/75/607477675.db2.gz KIALDURHSZBACC-UHFFFAOYSA-N -1 3 356.386 3.012 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1CNCc1coc(-c2cccs2)n1 ZINC000822744034 607477676 /nfs/dbraw/zinc/47/76/76/607477676.db2.gz KIALDURHSZBACC-UHFFFAOYSA-N -1 3 356.386 3.012 20 0 FGADHM CN(CCNC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1)Cc1ccccc1 ZINC000386861382 601095536 /nfs/dbraw/zinc/09/55/36/601095536.db2.gz JNOFOQVXKFTNPX-UHFFFAOYSA-N -1 3 369.465 3.302 20 0 FGADHM Cc1ccc(NC(=O)[C@@H]2CCCN([C@@H](C)c3ccc(C(=O)[O-])o3)C2)nc1 ZINC000832940670 601169496 /nfs/dbraw/zinc/16/94/96/601169496.db2.gz BPDKFTRLYWMHLE-UONOGXRCSA-N -1 3 357.410 3.093 20 0 FGADHM C[C@H](C(=O)[O-])[C@H](NCC(=O)N1CCCc2ccccc21)c1ccccc1 ZINC000826044531 601204844 /nfs/dbraw/zinc/20/48/44/601204844.db2.gz IAUJUPVSBBOEES-YWZLYKJASA-N -1 3 352.434 3.017 20 0 FGADHM C[C@@H](OC(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1c(F)cc(F)cc1F ZINC000820497888 607498324 /nfs/dbraw/zinc/49/83/24/607498324.db2.gz WJGLGGVIYVWIHG-SECBINFHSA-N -1 3 362.311 3.131 20 0 FGADHM C[C@@H](OC(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1c(F)cc(F)cc1F ZINC000820497888 607498326 /nfs/dbraw/zinc/49/83/26/607498326.db2.gz WJGLGGVIYVWIHG-SECBINFHSA-N -1 3 362.311 3.131 20 0 FGADHM CN(C)Cc1cccc(NC(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2)c1 ZINC000830619371 601299261 /nfs/dbraw/zinc/29/92/61/601299261.db2.gz DLYSYUHGBZWGOB-QGZVFWFLSA-N -1 3 359.401 3.225 20 0 FGADHM Clc1ccc([C@@H]2CSCCN2Cc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000826351576 607501917 /nfs/dbraw/zinc/50/19/17/607501917.db2.gz RTFRKGCNAJCRER-INIZCTEOSA-N -1 3 372.885 3.205 20 0 FGADHM O=C([O-])C1(CN[C@H](C(=O)NCc2ccccc2)c2ccccc2)CCCC1 ZINC000833147167 601369539 /nfs/dbraw/zinc/36/95/39/601369539.db2.gz VRULLTCYIJYJNM-IBGZPJMESA-N -1 3 366.461 3.279 20 0 FGADHM COc1ccc(CN2CCc3cccc(F)c3[C@@H]2C)cc1-c1nnn[n-]1 ZINC000826195605 607504763 /nfs/dbraw/zinc/50/47/63/607504763.db2.gz ZPCVCTMGNUJPIA-LBPRGKRZSA-N -1 3 353.401 3.134 20 0 FGADHM COc1ccc(CN2CCc3cccc(F)c3[C@@H]2C)cc1-c1nn[n-]n1 ZINC000826195605 607504764 /nfs/dbraw/zinc/50/47/64/607504764.db2.gz ZPCVCTMGNUJPIA-LBPRGKRZSA-N -1 3 353.401 3.134 20 0 FGADHM C[C@@H]1CN(CC(=O)N[C@H](CC(C)(C)C)c2ccc(F)cc2)C[C@@H]1C(=O)[O-] ZINC000828431092 601513921 /nfs/dbraw/zinc/51/39/21/601513921.db2.gz FXSDOMSVBXVAIZ-XOKHGSTOSA-N -1 3 364.461 3.072 20 0 FGADHM COc1cc(NC2CCN(Cc3ccoc3C(=O)[O-])CC2)cc(OC)c1 ZINC000832026288 601597941 /nfs/dbraw/zinc/59/79/41/601597941.db2.gz KWSROYNHHKJFRH-UHFFFAOYSA-N -1 3 360.410 3.072 20 0 FGADHM CCc1ccc([C@H](C)NC(=O)CN[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])cc1 ZINC000830239056 601650372 /nfs/dbraw/zinc/65/03/72/601650372.db2.gz VNAWYTLXGQIVNM-XFQAVAEZSA-N -1 3 368.477 3.478 20 0 FGADHM C[C@H](C(=O)[O-])[C@@H](NCC(=O)N1c2ccccc2CC[C@H]1C)c1ccccc1 ZINC000826044821 601653017 /nfs/dbraw/zinc/65/30/17/601653017.db2.gz LYUFIQRGKRISGF-VWKPWSFCSA-N -1 3 366.461 3.406 20 0 FGADHM CCc1ccc(CN(C)C(=O)CN[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])cc1 ZINC000830245187 601656078 /nfs/dbraw/zinc/65/60/78/601656078.db2.gz RZLZYJDIGQYLQA-IIBYNOLFSA-N -1 3 368.477 3.259 20 0 FGADHM CN(C)CCN(Cc1ccco1)C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000830608771 601779863 /nfs/dbraw/zinc/77/98/63/601779863.db2.gz HXINEARWDZUOPW-UHFFFAOYSA-N -1 3 365.817 3.227 20 0 FGADHM O=C([O-])CCC1CCN(C(=O)NC[C@H](c2ccccc2)N2CCCC2)CC1 ZINC000659391881 601823015 /nfs/dbraw/zinc/82/30/15/601823015.db2.gz KYVCBDKRYVDQLJ-LJQANCHMSA-N -1 3 373.497 3.110 20 0 FGADHM C[C@@H](CN(CC(=O)N[C@H](c1ccccc1)C1CCCC1)C1CC1)C(=O)[O-] ZINC000827449460 601918019 /nfs/dbraw/zinc/91/80/19/601918019.db2.gz KRBMNLCISKBLIK-MGPUTAFESA-N -1 3 358.482 3.219 20 0 FGADHM Cc1cccc(S(=O)(=O)N(CC(C)C)c2ccccc2)c1-c1nnn[n-]1 ZINC000826300641 607533828 /nfs/dbraw/zinc/53/38/28/607533828.db2.gz CFITVJPJMSDFIX-UHFFFAOYSA-N -1 3 371.466 3.026 20 0 FGADHM Cc1cccc(S(=O)(=O)N(CC(C)C)c2ccccc2)c1-c1nn[n-]n1 ZINC000826300641 607533830 /nfs/dbraw/zinc/53/38/30/607533830.db2.gz CFITVJPJMSDFIX-UHFFFAOYSA-N -1 3 371.466 3.026 20 0 FGADHM COc1ccc(-c2cc(CN(C3CC3)C3CCN(C(=O)[O-])CC3)on2)cc1 ZINC000739876647 601931495 /nfs/dbraw/zinc/93/14/95/601931495.db2.gz DZFPWMXUDMNHPU-UHFFFAOYSA-N -1 3 371.437 3.457 20 0 FGADHM COC(=O)c1sc2cccc(F)c2c1CN1CC[C@](C)(C(=O)[O-])C1 ZINC000831478643 601940965 /nfs/dbraw/zinc/94/09/65/601940965.db2.gz CEJYKNINMFNJEM-KRWDZBQOSA-N -1 3 351.399 3.124 20 0 FGADHM C[C@H]1C[C@H](NC(=O)CCc2ccc(C(=O)[O-])cc2)CN1Cc1ccccc1 ZINC000828167209 602023496 /nfs/dbraw/zinc/02/34/96/602023496.db2.gz DLAUIMBVTSWDIO-JXFKEZNVSA-N -1 3 366.461 3.097 20 0 FGADHM C[C@H]1C[C@@H](NC(=O)Nc2ccc(F)c(C(=O)[O-])c2)CN1Cc1ccccc1 ZINC000398214761 602032877 /nfs/dbraw/zinc/03/28/77/602032877.db2.gz UMFLSCABCJLZCO-XJKSGUPXSA-N -1 3 371.412 3.308 20 0 FGADHM Cn1cc([C@@H]2CCN([C@@H](C(=O)[O-])c3cc(Cl)cc(Cl)c3)C2)cn1 ZINC000833042840 602044352 /nfs/dbraw/zinc/04/43/52/602044352.db2.gz BSZAQCLBXDXAQM-MEBBXXQBSA-N -1 3 354.237 3.342 20 0 FGADHM O=C([O-])Cc1cccc(NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)c1 ZINC000676210732 602075639 /nfs/dbraw/zinc/07/56/39/602075639.db2.gz SKHCGOGJLWPTOG-QGZVFWFLSA-N -1 3 370.424 3.304 20 0 FGADHM C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(Cc2occc2C(=O)[O-])C1 ZINC000827686447 602244566 /nfs/dbraw/zinc/24/45/66/602244566.db2.gz BHIAPTREZSMDKI-OLZOCXBDSA-N -1 3 352.431 3.103 20 0 FGADHM C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(Cc2ccc(C(=O)[O-])o2)C1 ZINC000827688004 602245194 /nfs/dbraw/zinc/24/51/94/602245194.db2.gz PXNWWIUSQWQWSF-OLZOCXBDSA-N -1 3 352.431 3.103 20 0 FGADHM CCCCCC[C@@H](C)NC(=O)NCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000825271716 607557533 /nfs/dbraw/zinc/55/75/33/607557533.db2.gz MVFPXCCPPOLBNA-CYBMUJFWSA-N -1 3 360.462 3.033 20 0 FGADHM CCCCCC[C@@H](C)NC(=O)NCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000825271716 607557535 /nfs/dbraw/zinc/55/75/35/607557535.db2.gz MVFPXCCPPOLBNA-CYBMUJFWSA-N -1 3 360.462 3.033 20 0 FGADHM CC(C)c1ccc([C@H](CNCc2cnc(N(C)C)s2)NC(=O)[O-])cc1 ZINC000738882155 602335446 /nfs/dbraw/zinc/33/54/46/602335446.db2.gz JAZBLURBRWMGTK-INIZCTEOSA-N -1 3 362.499 3.431 20 0 FGADHM C[C@H](c1ccccc1)N1CC[C@H](NC(=O)Nc2ccc(C(=O)[O-])c(F)c2)C1 ZINC000827948891 602389071 /nfs/dbraw/zinc/38/90/71/602389071.db2.gz HCPQFLHHTXWPIG-CJNGLKHVSA-N -1 3 371.412 3.481 20 0 FGADHM CN(C(=O)c1ccc2c(n1)CCCC2)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000825829457 607565413 /nfs/dbraw/zinc/56/54/13/607565413.db2.gz FNLSUIDBNYXJTM-UHFFFAOYSA-N -1 3 368.828 3.071 20 0 FGADHM CN(C(=O)c1ccc2c(n1)CCCC2)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000825829457 607565414 /nfs/dbraw/zinc/56/54/14/607565414.db2.gz FNLSUIDBNYXJTM-UHFFFAOYSA-N -1 3 368.828 3.071 20 0 FGADHM COc1ccc(CNC(=O)C2(CC(C)C)CCCC2)cc1-c1nnn[n-]1 ZINC000826195804 607590629 /nfs/dbraw/zinc/59/06/29/607590629.db2.gz GGYPAGMPCAAYGO-UHFFFAOYSA-N -1 3 357.458 3.098 20 0 FGADHM COc1ccc(CNC(=O)C2(CC(C)C)CCCC2)cc1-c1nn[n-]n1 ZINC000826195804 607590630 /nfs/dbraw/zinc/59/06/30/607590630.db2.gz GGYPAGMPCAAYGO-UHFFFAOYSA-N -1 3 357.458 3.098 20 0 FGADHM Cc1nn(Cc2ccccc2Cl)c(C)c1CN[C@@H]1CCN(C(=O)[O-])C1 ZINC000740254815 602879387 /nfs/dbraw/zinc/87/93/87/602879387.db2.gz YYOZJUMOYXBKHY-OAHLLOKOSA-N -1 3 362.861 3.044 20 0 FGADHM O=C([O-])Nc1ccc(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)cc1 ZINC000738661633 603174897 /nfs/dbraw/zinc/17/48/97/603174897.db2.gz XRQAAPKYKDXSMC-SFHVURJKSA-N -1 3 353.422 3.171 20 0 FGADHM COc1ccc(CNC(=O)Nc2cc(Cl)ccc2C)cc1-c1nnn[n-]1 ZINC000826200391 607617428 /nfs/dbraw/zinc/61/74/28/607617428.db2.gz NEUDARSVAAAXRA-UHFFFAOYSA-N -1 3 372.816 3.159 20 0 FGADHM COc1ccc(CNC(=O)Nc2cc(Cl)ccc2C)cc1-c1nn[n-]n1 ZINC000826200391 607617430 /nfs/dbraw/zinc/61/74/30/607617430.db2.gz NEUDARSVAAAXRA-UHFFFAOYSA-N -1 3 372.816 3.159 20 0 FGADHM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)NC[C@@H](c2ccccc2)N(C)C)cc1 ZINC000825433352 603378437 /nfs/dbraw/zinc/37/84/37/603378437.db2.gz BECMNIFRKYXZCN-KDOFPFPSSA-N -1 3 370.453 3.440 20 0 FGADHM C[C@H](NC(=O)[O-])c1ccc(NC(=O)N[C@@H](CN(C)C)c2ccccc2)cc1 ZINC000825426922 603388063 /nfs/dbraw/zinc/38/80/63/603388063.db2.gz MCEZSRQPECFRBE-KSSFIOAISA-N -1 3 370.453 3.440 20 0 FGADHM CCN1CCN(c2ccc(C(=O)Nc3ccc(NC(=O)[O-])cc3)cc2)CC1 ZINC000737115509 603570707 /nfs/dbraw/zinc/57/07/07/603570707.db2.gz KBYHSZFBSQZETM-UHFFFAOYSA-N -1 3 368.437 3.171 20 0 FGADHM C[C@H](N[C@@H]1CCN(C(=O)[O-])C1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000825480308 603643292 /nfs/dbraw/zinc/64/32/92/603643292.db2.gz VWKTUCOFARYJQG-KBXCAEBGSA-N -1 3 353.422 3.342 20 0 FGADHM C[C@@H](NC(=S)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1cccs1 ZINC000824520638 607647272 /nfs/dbraw/zinc/64/72/72/607647272.db2.gz ARPZWVQTMLLXRH-LLVKDONJSA-N -1 3 370.507 3.143 20 0 FGADHM C[C@@H](NC(=S)NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1cccs1 ZINC000824520638 607647273 /nfs/dbraw/zinc/64/72/73/607647273.db2.gz ARPZWVQTMLLXRH-LLVKDONJSA-N -1 3 370.507 3.143 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(Cc1ccc(F)cc1)C1CC1 ZINC000826244239 607651261 /nfs/dbraw/zinc/65/12/61/607651261.db2.gz LDETZTISUQOMCD-UHFFFAOYSA-N -1 3 351.385 3.119 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(Cc1ccc(F)cc1)C1CC1 ZINC000826244239 607651264 /nfs/dbraw/zinc/65/12/64/607651264.db2.gz LDETZTISUQOMCD-UHFFFAOYSA-N -1 3 351.385 3.119 20 0 FGADHM CC[C@H]1c2ccsc2CCN1C(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000825220017 607662324 /nfs/dbraw/zinc/66/23/24/607662324.db2.gz ONHDPOMPWOXQFW-HNNXBMFYSA-N -1 3 353.451 3.386 20 0 FGADHM CC[C@H]1c2ccsc2CCN1C(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000825220017 607662326 /nfs/dbraw/zinc/66/23/26/607662326.db2.gz ONHDPOMPWOXQFW-HNNXBMFYSA-N -1 3 353.451 3.386 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(Cc1ccccc1F)C(C)C ZINC000826244240 607675470 /nfs/dbraw/zinc/67/54/70/607675470.db2.gz LDGDZBNGWMAUMN-UHFFFAOYSA-N -1 3 353.401 3.365 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(Cc1ccccc1F)C(C)C ZINC000826244240 607675471 /nfs/dbraw/zinc/67/54/71/607675471.db2.gz LDGDZBNGWMAUMN-UHFFFAOYSA-N -1 3 353.401 3.365 20 0 FGADHM C[C@H](NC(=O)[O-])[C@H]1CCCN(C(=O)c2oc3ccccc3c2CN(C)C)C1 ZINC000825252475 604228340 /nfs/dbraw/zinc/22/83/40/604228340.db2.gz DXKSUGIAVYMQEX-KBPBESRZSA-N -1 3 373.453 3.003 20 0 FGADHM CC(C)c1ccccc1OCCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000751581104 607680691 /nfs/dbraw/zinc/68/06/91/607680691.db2.gz OSTAGBRJENJLJK-UHFFFAOYSA-N -1 3 351.410 3.398 20 0 FGADHM CC(C)c1ccccc1OCCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000751581104 607680693 /nfs/dbraw/zinc/68/06/93/607680693.db2.gz OSTAGBRJENJLJK-UHFFFAOYSA-N -1 3 351.410 3.398 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NCC1(c2ccc(Cl)cc2)CC1 ZINC000826247490 607683832 /nfs/dbraw/zinc/68/38/32/607683832.db2.gz FGEJAXHAVLCNNE-UHFFFAOYSA-N -1 3 367.840 3.290 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NCC1(c2ccc(Cl)cc2)CC1 ZINC000826247490 607683833 /nfs/dbraw/zinc/68/38/33/607683833.db2.gz FGEJAXHAVLCNNE-UHFFFAOYSA-N -1 3 367.840 3.290 20 0 FGADHM C[C@H](NC(=O)[O-])c1ccc(CNC(=O)Nc2cccc(CN(C)C)c2)cc1 ZINC000825388964 604308896 /nfs/dbraw/zinc/30/88/96/604308896.db2.gz MFOOKGSZDAQNHD-AWEZNQCLSA-N -1 3 370.453 3.399 20 0 FGADHM C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)NCc1ccc(C(=O)[O-])o1 ZINC000827218746 604329604 /nfs/dbraw/zinc/32/96/04/604329604.db2.gz SFMJIQBFHVIWSA-LBPRGKRZSA-N -1 3 364.829 3.158 20 0 FGADHM COc1ccc(Cl)cc1NC(=O)C[C@@H](C)NCc1ccc(C(=O)[O-])o1 ZINC000832367993 604330177 /nfs/dbraw/zinc/33/01/77/604330177.db2.gz PRUBWCRYBXIIRK-SNVBAGLBSA-N -1 3 366.801 3.147 20 0 FGADHM Cc1ccc(NC(=O)C[C@@H](C)NCc2ccc(C(=O)[O-])o2)cc1Cl ZINC000832942854 604331252 /nfs/dbraw/zinc/33/12/52/604331252.db2.gz SUKAPAVBVAFAPP-LLVKDONJSA-N -1 3 350.802 3.447 20 0 FGADHM Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000832961679 604378314 /nfs/dbraw/zinc/37/83/14/604378314.db2.gz JIYOTPVDPPSYOL-LPHOPBHVSA-N -1 3 368.408 3.280 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(Cc1ccc(F)cc1)CC1CC1 ZINC000826244453 607692441 /nfs/dbraw/zinc/69/24/41/607692441.db2.gz STPVHDUTQHPNQG-UHFFFAOYSA-N -1 3 365.412 3.367 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(Cc1ccc(F)cc1)CC1CC1 ZINC000826244453 607692442 /nfs/dbraw/zinc/69/24/42/607692442.db2.gz STPVHDUTQHPNQG-UHFFFAOYSA-N -1 3 365.412 3.367 20 0 FGADHM CC(C)c1nsc(Oc2ccc(Br)cc2-c2nn[n-]n2)n1 ZINC000824371335 608189915 /nfs/dbraw/zinc/18/99/15/608189915.db2.gz ANQJMTIHYVVYMP-UHFFFAOYSA-N -1 3 367.232 3.396 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CC[C@H](C)C[C@@H]1c1ccco1 ZINC000826244017 607698320 /nfs/dbraw/zinc/69/83/20/607698320.db2.gz DXGJGXFSRVFATG-BLLLJJGKSA-N -1 3 351.410 3.382 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CC[C@H](C)C[C@@H]1c1ccco1 ZINC000826244017 607698322 /nfs/dbraw/zinc/69/83/22/607698322.db2.gz DXGJGXFSRVFATG-BLLLJJGKSA-N -1 3 351.410 3.382 20 0 FGADHM CC(C)c1nsc(Oc2ccc(Br)cc2-c2nnn[n-]2)n1 ZINC000824371335 608189914 /nfs/dbraw/zinc/18/99/14/608189914.db2.gz ANQJMTIHYVVYMP-UHFFFAOYSA-N -1 3 367.232 3.396 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccccc1OCC(F)F ZINC000826250808 607709205 /nfs/dbraw/zinc/70/92/05/607709205.db2.gz TTZCOGQXTLDROJ-UHFFFAOYSA-N -1 3 359.336 3.071 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccccc1OCC(F)F ZINC000826250808 607709207 /nfs/dbraw/zinc/70/92/07/607709207.db2.gz TTZCOGQXTLDROJ-UHFFFAOYSA-N -1 3 359.336 3.071 20 0 FGADHM O=C([O-])CC1(NCc2csc(CCc3ccccc3)n2)CCOCC1 ZINC000662212258 604795954 /nfs/dbraw/zinc/79/59/54/604795954.db2.gz MLJPEKWIHKOFPA-UHFFFAOYSA-N -1 3 360.479 3.042 20 0 FGADHM C[C@@H](CC(=O)OCc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1F ZINC000824392406 607722863 /nfs/dbraw/zinc/72/28/63/607722863.db2.gz NKMURQIVECVIQC-NSHDSACASA-N -1 3 358.348 3.382 20 0 FGADHM C[C@@H](CC(=O)OCc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1F ZINC000824392406 607722865 /nfs/dbraw/zinc/72/28/65/607722865.db2.gz NKMURQIVECVIQC-NSHDSACASA-N -1 3 358.348 3.382 20 0 FGADHM C[C@@H](CC(=O)OCc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1F ZINC000824385669 607723232 /nfs/dbraw/zinc/72/32/32/607723232.db2.gz YVBZLYMWARAWEB-NSHDSACASA-N -1 3 358.348 3.382 20 0 FGADHM C[C@@H](CC(=O)OCc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1F ZINC000824385669 607723234 /nfs/dbraw/zinc/72/32/34/607723234.db2.gz YVBZLYMWARAWEB-NSHDSACASA-N -1 3 358.348 3.382 20 0 FGADHM CC[C@@H](C)OCC(=O)OCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000825074856 607723460 /nfs/dbraw/zinc/72/34/60/607723460.db2.gz KINPAFAEKCRPIX-CQSZACIVSA-N -1 3 366.421 3.392 20 0 FGADHM CC[C@@H](C)OCC(=O)OCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000825074856 607723462 /nfs/dbraw/zinc/72/34/62/607723462.db2.gz KINPAFAEKCRPIX-CQSZACIVSA-N -1 3 366.421 3.392 20 0 FGADHM C[C@@H](C(=O)Nc1ccc(Cl)cc1)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000833409949 604933604 /nfs/dbraw/zinc/93/36/04/604933604.db2.gz UDCCBCVDLIYTJE-STQMWFEESA-N -1 3 352.862 3.490 20 0 FGADHM CC(C)(C(=O)[O-])[C@H]1CCCN([C@@H]2CCN(c3ccc(Cl)cc3)C2=O)C1 ZINC000833417284 604937126 /nfs/dbraw/zinc/93/71/26/604937126.db2.gz OKGVLWDXQRUSKT-XJKSGUPXSA-N -1 3 364.873 3.268 20 0 FGADHM O=C(N[C@@H](c1ccc(Cl)cc1)C1CCC1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826427634 607727664 /nfs/dbraw/zinc/72/76/64/607727664.db2.gz VTYZBNRYGVEBKB-OAHLLOKOSA-N -1 3 356.817 3.119 20 0 FGADHM O=C(N[C@@H](c1ccc(Cl)cc1)C1CCC1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826427634 607727666 /nfs/dbraw/zinc/72/76/66/607727666.db2.gz VTYZBNRYGVEBKB-OAHLLOKOSA-N -1 3 356.817 3.119 20 0 FGADHM C[C@H](C[C@H](O)c1cccs1)Nc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000824393506 607732841 /nfs/dbraw/zinc/73/28/41/607732841.db2.gz SIAJXKKYYGRYCB-ABAIWWIYSA-N -1 3 366.450 3.401 20 0 FGADHM C[C@H](C[C@H](O)c1cccs1)Nc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000824393506 607732843 /nfs/dbraw/zinc/73/28/43/607732843.db2.gz SIAJXKKYYGRYCB-ABAIWWIYSA-N -1 3 366.450 3.401 20 0 FGADHM C[C@H](NCc1ccc(O[C@@H](C)C(=O)[O-])cc1)c1ccc([S@@](C)=O)cc1 ZINC000833543443 605122976 /nfs/dbraw/zinc/12/29/76/605122976.db2.gz YLCDHNGIAROJJW-KXTXEXGHSA-N -1 3 361.463 3.127 20 0 FGADHM C[C@@H]1CN2CCCC[C@H]2CN1Cc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000833635772 605212142 /nfs/dbraw/zinc/21/21/42/605212142.db2.gz XZULCOSRNQSAMN-KDOFPFPSSA-N -1 3 355.438 3.098 20 0 FGADHM CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)N2Cc1ccc(C(=O)[O-])s1 ZINC000833436278 605222094 /nfs/dbraw/zinc/22/20/94/605222094.db2.gz FOTYNNIGIGBLDQ-OLZOCXBDSA-N -1 3 366.483 3.420 20 0 FGADHM CC1=C(C(=O)[O-])C[C@H](CN(Cc2ccccc2)C[C@@H](O)c2ccsc2)O1 ZINC000833585171 605353635 /nfs/dbraw/zinc/35/36/35/605353635.db2.gz VFXACXFPZBLMCZ-IEBWSBKVSA-N -1 3 373.474 3.431 20 0 FGADHM Cc1ccc(-c2cccc(CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)c2)cc1 ZINC000826273410 607750520 /nfs/dbraw/zinc/75/05/20/607750520.db2.gz CHZUVCLGJGXMTF-UHFFFAOYSA-N -1 3 358.405 3.100 20 0 FGADHM Cc1ccc(-c2cccc(CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)c2)cc1 ZINC000826273410 607750521 /nfs/dbraw/zinc/75/05/21/607750521.db2.gz CHZUVCLGJGXMTF-UHFFFAOYSA-N -1 3 358.405 3.100 20 0 FGADHM Fc1ccc(-c2nn[n-]n2)cc1CN1CC[C@H](Oc2ccccc2Cl)C1 ZINC000826373365 607753013 /nfs/dbraw/zinc/75/30/13/607753013.db2.gz JKBXWOLELPXJKW-AWEZNQCLSA-N -1 3 373.819 3.313 20 0 FGADHM CCOC(=O)Nc1ccc(NC(=O)C[C@@H](C)CC(C)C)cc1-c1nnn[n-]1 ZINC000825532835 607761216 /nfs/dbraw/zinc/76/12/16/607761216.db2.gz XOASIBZXFNMUAW-LBPRGKRZSA-N -1 3 374.445 3.446 20 0 FGADHM CCOC(=O)Nc1ccc(NC(=O)C[C@@H](C)CC(C)C)cc1-c1nn[n-]n1 ZINC000825532835 607761217 /nfs/dbraw/zinc/76/12/17/607761217.db2.gz XOASIBZXFNMUAW-LBPRGKRZSA-N -1 3 374.445 3.446 20 0 FGADHM CC(C)(C(=O)[O-])[C@H]1CCCN(Cc2cc(O)ccc2Br)C1 ZINC000833419939 605553111 /nfs/dbraw/zinc/55/31/11/605553111.db2.gz KEYUCCCUYDVPAO-LBPRGKRZSA-N -1 3 356.260 3.478 20 0 FGADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)NCC1(C2CC2)CCC1 ZINC000826406109 607762922 /nfs/dbraw/zinc/76/29/22/607762922.db2.gz IMUCYLPOCUXWQW-UHFFFAOYSA-N -1 3 369.469 3.112 20 0 FGADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)NCC1(C2CC2)CCC1 ZINC000826406109 607762923 /nfs/dbraw/zinc/76/29/23/607762923.db2.gz IMUCYLPOCUXWQW-UHFFFAOYSA-N -1 3 369.469 3.112 20 0 FGADHM CCCCSCC(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000825296491 607769432 /nfs/dbraw/zinc/76/94/32/607769432.db2.gz LSMZCTBCMQXJRB-UHFFFAOYSA-N -1 3 374.495 3.462 20 0 FGADHM CCCCSCC(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000825296491 607769433 /nfs/dbraw/zinc/76/94/33/607769433.db2.gz LSMZCTBCMQXJRB-UHFFFAOYSA-N -1 3 374.495 3.462 20 0 FGADHM Cc1cc(C(=O)NC[C@H](C)N(C)Cc2ccccc2)ccc1NC(=O)[O-] ZINC000829947604 605686888 /nfs/dbraw/zinc/68/68/88/605686888.db2.gz YFJZDFQZZZNVOE-HNNXBMFYSA-N -1 3 355.438 3.335 20 0 FGADHM CC[C@@H](CSc1ccccc1)NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825127365 607772259 /nfs/dbraw/zinc/77/22/59/607772259.db2.gz MILGFZMQCMFEAR-HNNXBMFYSA-N -1 3 353.451 3.167 20 0 FGADHM CC[C@@H](CSc1ccccc1)NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825127365 607772260 /nfs/dbraw/zinc/77/22/60/607772260.db2.gz MILGFZMQCMFEAR-HNNXBMFYSA-N -1 3 353.451 3.167 20 0 FGADHM CC[C@H]1CN(c2nnc(C)c(C)c2-c2nnn[n-]2)CC[C@H]1c1ccccc1 ZINC000820994110 606039509 /nfs/dbraw/zinc/03/95/09/606039509.db2.gz DTKUVUNVHDBQJB-DOTOQJQBSA-N -1 3 363.469 3.294 20 0 FGADHM CC[C@H]1CN(c2nnc(C)c(C)c2-c2nn[n-]n2)CC[C@H]1c1ccccc1 ZINC000820994110 606039511 /nfs/dbraw/zinc/03/95/11/606039511.db2.gz DTKUVUNVHDBQJB-DOTOQJQBSA-N -1 3 363.469 3.294 20 0 FGADHM O[C@@H](CNc1nc2ccccc2cc1-c1nnn[n-]1)c1cccc(Cl)c1 ZINC000823689122 606044633 /nfs/dbraw/zinc/04/46/33/606044633.db2.gz AVXPLYDHCIUBFI-INIZCTEOSA-N -1 3 366.812 3.214 20 0 FGADHM O[C@@H](CNc1nc2ccccc2cc1-c1nn[n-]n1)c1cccc(Cl)c1 ZINC000823689122 606044640 /nfs/dbraw/zinc/04/46/40/606044640.db2.gz AVXPLYDHCIUBFI-INIZCTEOSA-N -1 3 366.812 3.214 20 0 FGADHM Cc1nc(CNc2nc3ccccc3cc2-c2nnn[n-]2)nc2ccccc12 ZINC000822444669 606068910 /nfs/dbraw/zinc/06/89/10/606068910.db2.gz XCFLLKXWYHADRF-UHFFFAOYSA-N -1 3 368.404 3.279 20 0 FGADHM Cc1nc(CNc2nc3ccccc3cc2-c2nn[n-]n2)nc2ccccc12 ZINC000822444669 606068916 /nfs/dbraw/zinc/06/89/16/606068916.db2.gz XCFLLKXWYHADRF-UHFFFAOYSA-N -1 3 368.404 3.279 20 0 FGADHM Cc1nc(C)c(CCNc2nc3ccccc3cc2-c2nnn[n-]2)s1 ZINC000822431987 606078813 /nfs/dbraw/zinc/07/88/13/606078813.db2.gz SAJAKTBOAFWPEG-UHFFFAOYSA-N -1 3 351.439 3.143 20 0 FGADHM Cc1nc(C)c(CCNc2nc3ccccc3cc2-c2nn[n-]n2)s1 ZINC000822431987 606078816 /nfs/dbraw/zinc/07/88/16/606078816.db2.gz SAJAKTBOAFWPEG-UHFFFAOYSA-N -1 3 351.439 3.143 20 0 FGADHM C[C@H]1c2ccccc2CN1C(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000820825679 606104465 /nfs/dbraw/zinc/10/44/65/606104465.db2.gz AYXICSNGUYXQKU-ZDUSSCGKSA-N -1 3 365.462 3.203 20 0 FGADHM C[C@H]1c2ccccc2CN1C(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000820825679 606104467 /nfs/dbraw/zinc/10/44/67/606104467.db2.gz AYXICSNGUYXQKU-ZDUSSCGKSA-N -1 3 365.462 3.203 20 0 FGADHM O=C(C/C=C/c1cccc(F)c1)OCc1cc(-c2nnn[n-]2)ccc1F ZINC000822945660 606127784 /nfs/dbraw/zinc/12/77/84/606127784.db2.gz MYQWOOBRZSGIGQ-DUXPYHPUSA-N -1 3 356.332 3.292 20 0 FGADHM O=C(C/C=C/c1cccc(F)c1)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000822945660 606127785 /nfs/dbraw/zinc/12/77/85/606127785.db2.gz MYQWOOBRZSGIGQ-DUXPYHPUSA-N -1 3 356.332 3.292 20 0 FGADHM COc1cc(F)c([C@@H](C)OC(=O)c2sccc2-c2nnn[n-]2)c(F)c1 ZINC000821720467 606131372 /nfs/dbraw/zinc/13/13/72/606131372.db2.gz RZODXWPCTGROMG-SSDOTTSWSA-N -1 3 366.349 3.133 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)[C@@H]1CC12CCCC2 ZINC000823303507 606150291 /nfs/dbraw/zinc/15/02/91/606150291.db2.gz LAJMKAVXSXUZRU-LBPRGKRZSA-N -1 3 351.332 3.404 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)[C@@H]1CC12CCCC2 ZINC000823303507 606150293 /nfs/dbraw/zinc/15/02/93/606150293.db2.gz LAJMKAVXSXUZRU-LBPRGKRZSA-N -1 3 351.332 3.404 20 0 FGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cccc2[nH]ccc21 ZINC000820151683 606150459 /nfs/dbraw/zinc/15/04/59/606150459.db2.gz MQCWGVPKKVXTBV-UHFFFAOYSA-N -1 3 362.393 3.388 20 0 FGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cccc2[nH]ccc21 ZINC000820151683 606150461 /nfs/dbraw/zinc/15/04/61/606150461.db2.gz MQCWGVPKKVXTBV-UHFFFAOYSA-N -1 3 362.393 3.388 20 0 FGADHM C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820727132 606187961 /nfs/dbraw/zinc/18/79/61/606187961.db2.gz HCNJLMXHNLULFO-DIFFPNOSSA-N -1 3 351.385 3.059 20 0 FGADHM C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820727132 606187963 /nfs/dbraw/zinc/18/79/63/606187963.db2.gz HCNJLMXHNLULFO-DIFFPNOSSA-N -1 3 351.385 3.059 20 0 FGADHM CCc1ccc(C(C)(C)CNC(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821475940 606189925 /nfs/dbraw/zinc/18/99/25/606189925.db2.gz DTDZOUKNXFEPJF-UHFFFAOYSA-N -1 3 363.465 3.066 20 0 FGADHM CCc1ccc(C(C)(C)CNC(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821475940 606189927 /nfs/dbraw/zinc/18/99/27/606189927.db2.gz DTDZOUKNXFEPJF-UHFFFAOYSA-N -1 3 363.465 3.066 20 0 FGADHM CC(C)(NC(=S)Nc1ccccc1-c1nnn[n-]1)c1ccc(F)c(F)c1 ZINC000819987724 606196265 /nfs/dbraw/zinc/19/62/65/606196265.db2.gz INXGLRSFYIWPPG-UHFFFAOYSA-N -1 3 374.420 3.367 20 0 FGADHM CC(C)(NC(=S)Nc1ccccc1-c1nn[n-]n1)c1ccc(F)c(F)c1 ZINC000819987724 606196266 /nfs/dbraw/zinc/19/62/66/606196266.db2.gz INXGLRSFYIWPPG-UHFFFAOYSA-N -1 3 374.420 3.367 20 0 FGADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Oc1ccc(Cl)c(C(F)(F)F)c1 ZINC000822665708 606214332 /nfs/dbraw/zinc/21/43/32/606214332.db2.gz WNOWUJQOMYNDAM-UHFFFAOYSA-N -1 3 371.706 3.097 20 0 FGADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Oc1ccc(Cl)c(C(F)(F)F)c1 ZINC000822665708 606214334 /nfs/dbraw/zinc/21/43/34/606214334.db2.gz WNOWUJQOMYNDAM-UHFFFAOYSA-N -1 3 371.706 3.097 20 0 FGADHM Cc1cc(C)c(NC(=O)CN(C)c2ccc(-c3nn[n-]n3)cc2F)c(C)c1 ZINC000822194359 606215001 /nfs/dbraw/zinc/21/50/01/606215001.db2.gz TWLWODNPSROMSJ-UHFFFAOYSA-N -1 3 368.416 3.006 20 0 FGADHM C[C@@H](c1ccccc1Cl)N(C(=O)c1cc(-c2nnn[n-]2)cn1C)C1CC1 ZINC000820571118 606219843 /nfs/dbraw/zinc/21/98/43/606219843.db2.gz VZSWRCGWYXBKCB-NSHDSACASA-N -1 3 370.844 3.224 20 0 FGADHM C[C@@H](c1ccccc1Cl)N(C(=O)c1cc(-c2nn[n-]n2)cn1C)C1CC1 ZINC000820571118 606219845 /nfs/dbraw/zinc/21/98/45/606219845.db2.gz VZSWRCGWYXBKCB-NSHDSACASA-N -1 3 370.844 3.224 20 0 FGADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Oc1ccc(Cc2ccccc2)cc1 ZINC000822665287 606239933 /nfs/dbraw/zinc/23/99/33/606239933.db2.gz MPIXTMRIDYSHDJ-UHFFFAOYSA-N -1 3 359.389 3.015 20 0 FGADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Oc1ccc(Cc2ccccc2)cc1 ZINC000822665287 606239934 /nfs/dbraw/zinc/23/99/34/606239934.db2.gz MPIXTMRIDYSHDJ-UHFFFAOYSA-N -1 3 359.389 3.015 20 0 FGADHM Cc1ccc(N[C@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)c(Cl)c1 ZINC000822254783 606241876 /nfs/dbraw/zinc/24/18/76/606241876.db2.gz RESOTLXYHANCQB-INIZCTEOSA-N -1 3 368.828 3.046 20 0 FGADHM Cc1ccc(N[C@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)c(Cl)c1 ZINC000822254783 606241878 /nfs/dbraw/zinc/24/18/78/606241878.db2.gz RESOTLXYHANCQB-INIZCTEOSA-N -1 3 368.828 3.046 20 0 FGADHM Cc1cc(Cl)ccc1N[C@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000822202361 606243665 /nfs/dbraw/zinc/24/36/65/606243665.db2.gz WRNUDONMMNEMBR-INIZCTEOSA-N -1 3 368.828 3.046 20 0 FGADHM Cc1cc(Cl)ccc1N[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000822202361 606243667 /nfs/dbraw/zinc/24/36/67/606243667.db2.gz WRNUDONMMNEMBR-INIZCTEOSA-N -1 3 368.828 3.046 20 0 FGADHM CCc1cccc(C)c1N[C@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O ZINC000821492506 606244938 /nfs/dbraw/zinc/24/49/38/606244938.db2.gz OURSSANLXZJEIQ-AWEZNQCLSA-N -1 3 368.466 3.016 20 0 FGADHM CCc1cccc(C)c1N[C@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O ZINC000821492506 606244940 /nfs/dbraw/zinc/24/49/40/606244940.db2.gz OURSSANLXZJEIQ-AWEZNQCLSA-N -1 3 368.466 3.016 20 0 FGADHM Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)c2cc(-c3nnn[n-]3)cn2C)cc1 ZINC000822232085 606255005 /nfs/dbraw/zinc/25/50/05/606255005.db2.gz SOYVRPCZLZHXCA-KSSFIOAISA-N -1 3 364.453 3.127 20 0 FGADHM Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)c2cc(-c3nn[n-]n3)cn2C)cc1 ZINC000822232085 606255007 /nfs/dbraw/zinc/25/50/07/606255007.db2.gz SOYVRPCZLZHXCA-KSSFIOAISA-N -1 3 364.453 3.127 20 0 FGADHM CC(C)(C)C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1ccc(F)cc1 ZINC000819908129 606257771 /nfs/dbraw/zinc/25/77/71/606257771.db2.gz WQWYTUWFONTJMW-OAHLLOKOSA-N -1 3 356.405 3.241 20 0 FGADHM CC(C)(C)C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1ccc(F)cc1 ZINC000819908129 606257773 /nfs/dbraw/zinc/25/77/73/606257773.db2.gz WQWYTUWFONTJMW-OAHLLOKOSA-N -1 3 356.405 3.241 20 0 FGADHM CC(C)(C)c1ccc([C@H]2CCCN2C(=O)c2cc(-c3nnn[n-]3)c[nH]2)cc1 ZINC000819958501 606258948 /nfs/dbraw/zinc/25/89/48/606258948.db2.gz MMOMLOYFTPMFKH-QGZVFWFLSA-N -1 3 364.453 3.470 20 0 FGADHM CC(C)(C)c1ccc([C@H]2CCCN2C(=O)c2cc(-c3nn[n-]n3)c[nH]2)cc1 ZINC000819958501 606258951 /nfs/dbraw/zinc/25/89/51/606258951.db2.gz MMOMLOYFTPMFKH-QGZVFWFLSA-N -1 3 364.453 3.470 20 0 FGADHM CCN(C(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@@H](C)c1cc2ccccc2o1 ZINC000821154803 606261752 /nfs/dbraw/zinc/26/17/52/606261752.db2.gz RVEJYVCBFCCIDO-NSHDSACASA-N -1 3 350.382 3.164 20 0 FGADHM CCN(C(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@@H](C)c1cc2ccccc2o1 ZINC000821154803 606261754 /nfs/dbraw/zinc/26/17/54/606261754.db2.gz RVEJYVCBFCCIDO-NSHDSACASA-N -1 3 350.382 3.164 20 0 FGADHM CCOc1ccc(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)cc1OCC ZINC000821417503 606269575 /nfs/dbraw/zinc/26/95/75/606269575.db2.gz NBFHHMOJJCLUIM-UHFFFAOYSA-N -1 3 371.372 3.056 20 0 FGADHM CCOc1ccc(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)cc1OCC ZINC000821417503 606269576 /nfs/dbraw/zinc/26/95/76/606269576.db2.gz NBFHHMOJJCLUIM-UHFFFAOYSA-N -1 3 371.372 3.056 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)Cc1cc(F)ccc1F ZINC000821123403 606283305 /nfs/dbraw/zinc/28/33/05/606283305.db2.gz QNFUOEHTGJDYTQ-UHFFFAOYSA-N -1 3 372.379 3.148 20 0 FGADHM CC[C@H](Oc1ccccc1F)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820938721 606290426 /nfs/dbraw/zinc/29/04/26/606290426.db2.gz MMMVVXGZONJHKS-LRDDRELGSA-N -1 3 369.400 3.041 20 0 FGADHM CC[C@H](Oc1ccccc1F)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820938721 606290428 /nfs/dbraw/zinc/29/04/28/606290428.db2.gz MMMVVXGZONJHKS-LRDDRELGSA-N -1 3 369.400 3.041 20 0 FGADHM COC(=O)[C@H](NCCCC1CCCCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000821643296 606299823 /nfs/dbraw/zinc/29/98/23/606299823.db2.gz ZLUCAVIDAWGHGH-QGZVFWFLSA-N -1 3 357.458 3.031 20 0 FGADHM COC(=O)[C@H](NCCCC1CCCCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000821643296 606299825 /nfs/dbraw/zinc/29/98/25/606299825.db2.gz ZLUCAVIDAWGHGH-QGZVFWFLSA-N -1 3 357.458 3.031 20 0 FGADHM C[C@@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@@H](C)c1ccccc1 ZINC000820556098 606325602 /nfs/dbraw/zinc/32/56/02/606325602.db2.gz RKFJTHACLWPGTM-ZIAGYGMSSA-N -1 3 367.478 3.267 20 0 FGADHM C[C@@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@@H](C)c1ccccc1 ZINC000820556098 606325604 /nfs/dbraw/zinc/32/56/04/606325604.db2.gz RKFJTHACLWPGTM-ZIAGYGMSSA-N -1 3 367.478 3.267 20 0 FGADHM C[C@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)NCc1ccccc1Cl ZINC000820555554 606326566 /nfs/dbraw/zinc/32/65/66/606326566.db2.gz MJKNHJVTLKSVRT-NSHDSACASA-N -1 3 373.869 3.317 20 0 FGADHM C[C@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)NCc1ccccc1Cl ZINC000820555554 606326568 /nfs/dbraw/zinc/32/65/68/606326568.db2.gz MJKNHJVTLKSVRT-NSHDSACASA-N -1 3 373.869 3.317 20 0 FGADHM C[C@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H](C)c1ccccc1 ZINC000820555913 606326705 /nfs/dbraw/zinc/32/67/05/606326705.db2.gz QSNWDDATEWWKDD-STQMWFEESA-N -1 3 353.451 3.225 20 0 FGADHM C[C@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H](C)c1ccccc1 ZINC000820555913 606326706 /nfs/dbraw/zinc/32/67/06/606326706.db2.gz QSNWDDATEWWKDD-STQMWFEESA-N -1 3 353.451 3.225 20 0 FGADHM C[C@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000820555071 606326954 /nfs/dbraw/zinc/32/69/54/606326954.db2.gz FTPLCXISFPXOSU-RYUDHWBXSA-N -1 3 371.441 3.364 20 0 FGADHM C[C@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000820555071 606326956 /nfs/dbraw/zinc/32/69/56/606326956.db2.gz FTPLCXISFPXOSU-RYUDHWBXSA-N -1 3 371.441 3.364 20 0 FGADHM COCc1noc(-c2ccc(Sc3ccccc3-c3nnn[n-]3)cc2)n1 ZINC000821696791 606328238 /nfs/dbraw/zinc/32/82/38/606328238.db2.gz PXUXRKJJMJFYAV-UHFFFAOYSA-N -1 3 366.406 3.214 20 0 FGADHM COCc1noc(-c2ccc(Sc3ccccc3-c3nn[n-]n3)cc2)n1 ZINC000821696791 606328240 /nfs/dbraw/zinc/32/82/40/606328240.db2.gz PXUXRKJJMJFYAV-UHFFFAOYSA-N -1 3 366.406 3.214 20 0 FGADHM CC(=O)c1ccc(NC(=O)[C@@H](C)Sc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000819834694 606328848 /nfs/dbraw/zinc/32/88/48/606328848.db2.gz RUCXANCXFUBYMV-GFCCVEGCSA-N -1 3 367.434 3.189 20 0 FGADHM CC(=O)c1ccc(NC(=O)[C@@H](C)Sc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000819834694 606328850 /nfs/dbraw/zinc/32/88/50/606328850.db2.gz RUCXANCXFUBYMV-GFCCVEGCSA-N -1 3 367.434 3.189 20 0 FGADHM C[C@@H](Cc1cccc(F)c1)C(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820299171 606343331 /nfs/dbraw/zinc/34/33/31/606343331.db2.gz CVBYAYJZHQOPID-STQMWFEESA-N -1 3 354.385 3.489 20 0 FGADHM C[C@@H](Cc1cccc(F)c1)C(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820299171 606343332 /nfs/dbraw/zinc/34/33/32/606343332.db2.gz CVBYAYJZHQOPID-STQMWFEESA-N -1 3 354.385 3.489 20 0 FGADHM COc1ccc(Cl)cc1C(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821825288 606344831 /nfs/dbraw/zinc/34/48/31/606344831.db2.gz VRZFZTVIDPETFO-SNVBAGLBSA-N -1 3 358.785 3.447 20 0 FGADHM COc1ccc(Cl)cc1C(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821825288 606344833 /nfs/dbraw/zinc/34/48/33/606344833.db2.gz VRZFZTVIDPETFO-SNVBAGLBSA-N -1 3 358.785 3.447 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N1[C@H](C)C[C@@H]2CCCC[C@@H]21 ZINC000821407944 606344953 /nfs/dbraw/zinc/34/49/53/606344953.db2.gz YJHDKXROVNVQKU-WWGRRREGSA-N -1 3 370.457 3.450 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N1[C@H](C)C[C@@H]2CCCC[C@@H]21 ZINC000821407944 606344954 /nfs/dbraw/zinc/34/49/54/606344954.db2.gz YJHDKXROVNVQKU-WWGRRREGSA-N -1 3 370.457 3.450 20 0 FGADHM Cc1ccn(-c2ccc(C(=O)O[C@@H](C)c3ccc(-c4nnn[n-]4)cc3)cc2)n1 ZINC000822369719 606345291 /nfs/dbraw/zinc/34/52/91/606345291.db2.gz MMQBHRGOHQMGBU-AWEZNQCLSA-N -1 3 374.404 3.279 20 0 FGADHM Cc1ccn(-c2ccc(C(=O)O[C@@H](C)c3ccc(-c4nn[n-]n4)cc3)cc2)n1 ZINC000822369719 606345293 /nfs/dbraw/zinc/34/52/93/606345293.db2.gz MMQBHRGOHQMGBU-AWEZNQCLSA-N -1 3 374.404 3.279 20 0 FGADHM C[C@H](OC(=O)c1ccc2ncsc2c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820512306 606346319 /nfs/dbraw/zinc/34/63/19/606346319.db2.gz JOFWGXPCHRIOSP-JTQLQIEISA-N -1 3 351.391 3.394 20 0 FGADHM C[C@H](OC(=O)c1ccc2ncsc2c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820512306 606346321 /nfs/dbraw/zinc/34/63/21/606346321.db2.gz JOFWGXPCHRIOSP-JTQLQIEISA-N -1 3 351.391 3.394 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)N[C@H](Cc1ccccc1)C1CC1 ZINC000823344308 606346592 /nfs/dbraw/zinc/34/65/92/606346592.db2.gz UQORFSRFXOPWNW-QGZVFWFLSA-N -1 3 366.400 3.149 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)N[C@H](Cc1ccccc1)C1CC1 ZINC000823344308 606346594 /nfs/dbraw/zinc/34/65/94/606346594.db2.gz UQORFSRFXOPWNW-QGZVFWFLSA-N -1 3 366.400 3.149 20 0 FGADHM Cc1ccc(C)c(OCC(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822232231 606346926 /nfs/dbraw/zinc/34/69/26/606346926.db2.gz XZBVRHVOUGXIJE-AWEZNQCLSA-N -1 3 352.394 3.167 20 0 FGADHM Cc1ccc(C)c(OCC(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822232231 606346928 /nfs/dbraw/zinc/34/69/28/606346928.db2.gz XZBVRHVOUGXIJE-AWEZNQCLSA-N -1 3 352.394 3.167 20 0 FGADHM CCSCC[C@H](C)N(C)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000821454171 606347568 /nfs/dbraw/zinc/34/75/68/606347568.db2.gz DSUYROXCMIPPMC-JTQLQIEISA-N -1 3 352.439 3.001 20 0 FGADHM CCSCC[C@H](C)N(C)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000821454171 606347570 /nfs/dbraw/zinc/34/75/70/606347570.db2.gz DSUYROXCMIPPMC-JTQLQIEISA-N -1 3 352.439 3.001 20 0 FGADHM CCS[C@@H]1CCC[C@H](NC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000821455700 606349052 /nfs/dbraw/zinc/34/90/52/606349052.db2.gz LHTBTRRPKSSKKG-NWDGAFQWSA-N -1 3 364.450 3.192 20 0 FGADHM CCS[C@@H]1CCC[C@H](NC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000821455700 606349053 /nfs/dbraw/zinc/34/90/53/606349053.db2.gz LHTBTRRPKSSKKG-NWDGAFQWSA-N -1 3 364.450 3.192 20 0 FGADHM Cc1ccccc1[C@@H]1CCN(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000822351966 606349673 /nfs/dbraw/zinc/34/96/73/606349673.db2.gz SILHPVZYAPKDGN-CYBMUJFWSA-N -1 3 366.400 3.336 20 0 FGADHM Cc1ccccc1[C@@H]1CCN(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000822351966 606349674 /nfs/dbraw/zinc/34/96/74/606349674.db2.gz SILHPVZYAPKDGN-CYBMUJFWSA-N -1 3 366.400 3.336 20 0 FGADHM C[C@@H](OC(=O)Cc1cn(C)c2ccccc12)c1ccc(-c2nnn[n-]2)cc1 ZINC000820501352 606352838 /nfs/dbraw/zinc/35/28/38/606352838.db2.gz IURSJIGDZAQWLB-CYBMUJFWSA-N -1 3 361.405 3.205 20 0 FGADHM C[C@@H](OC(=O)Cc1cn(C)c2ccccc12)c1ccc(-c2nn[n-]n2)cc1 ZINC000820501352 606352840 /nfs/dbraw/zinc/35/28/40/606352840.db2.gz IURSJIGDZAQWLB-CYBMUJFWSA-N -1 3 361.405 3.205 20 0 FGADHM CC(C)(CNC(=O)Nc1ccc(F)cc1-c1nnn[n-]1)c1cccs1 ZINC000819980252 606353913 /nfs/dbraw/zinc/35/39/13/606353913.db2.gz AURFJDSJQSICGI-UHFFFAOYSA-N -1 3 360.418 3.167 20 0 FGADHM CC(C)(CNC(=O)Nc1ccc(F)cc1-c1nn[n-]n1)c1cccs1 ZINC000819980252 606353915 /nfs/dbraw/zinc/35/39/15/606353915.db2.gz AURFJDSJQSICGI-UHFFFAOYSA-N -1 3 360.418 3.167 20 0 FGADHM C[C@H](OC(=O)c1sccc1OC(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000820518839 606354861 /nfs/dbraw/zinc/35/48/61/606354861.db2.gz LUXCGAHSYLRAFI-QMMMGPOBSA-N -1 3 366.349 3.448 20 0 FGADHM C[C@H](OC(=O)c1sccc1OC(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000820518839 606354863 /nfs/dbraw/zinc/35/48/63/606354863.db2.gz LUXCGAHSYLRAFI-QMMMGPOBSA-N -1 3 366.349 3.448 20 0 FGADHM Cc1cc(S[C@@H]2CCCOC2)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000822213060 606359682 /nfs/dbraw/zinc/35/96/82/606359682.db2.gz SGJGTAQDMJAOSQ-GFCCVEGCSA-N -1 3 366.450 3.247 20 0 FGADHM Cc1cc(S[C@@H]2CCCOC2)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC000822213060 606359683 /nfs/dbraw/zinc/35/96/83/606359683.db2.gz SGJGTAQDMJAOSQ-GFCCVEGCSA-N -1 3 366.450 3.247 20 0 FGADHM CCOCCCC(=O)Oc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821373974 606361311 /nfs/dbraw/zinc/36/13/11/606361311.db2.gz PTTRPBJHUVVRET-UHFFFAOYSA-N -1 3 368.393 3.381 20 0 FGADHM CCOCCCC(=O)Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821373974 606361312 /nfs/dbraw/zinc/36/13/12/606361312.db2.gz PTTRPBJHUVVRET-UHFFFAOYSA-N -1 3 368.393 3.381 20 0 FGADHM CC[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)cc1)Oc1ccccc1Cl ZINC000820909365 606367637 /nfs/dbraw/zinc/36/76/37/606367637.db2.gz VAYBJMKEUZDLGO-AWEZNQCLSA-N -1 3 371.828 3.108 20 0 FGADHM CC[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)cc1)Oc1ccccc1Cl ZINC000820909365 606367639 /nfs/dbraw/zinc/36/76/39/606367639.db2.gz VAYBJMKEUZDLGO-AWEZNQCLSA-N -1 3 371.828 3.108 20 0 FGADHM CC[C@@H]1CCc2ccccc2N1C(=O)COc1ccccc1-c1nnn[n-]1 ZINC000820989746 606373773 /nfs/dbraw/zinc/37/37/73/606373773.db2.gz ZZTJOMAWDRDVOG-OAHLLOKOSA-N -1 3 363.421 3.004 20 0 FGADHM CC[C@@H]1CCc2ccccc2N1C(=O)COc1ccccc1-c1nn[n-]n1 ZINC000820989746 606373776 /nfs/dbraw/zinc/37/37/76/606373776.db2.gz ZZTJOMAWDRDVOG-OAHLLOKOSA-N -1 3 363.421 3.004 20 0 FGADHM CN(C(=O)[C@@H]1CCOc2ccccc21)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821569513 606413909 /nfs/dbraw/zinc/41/39/09/606413909.db2.gz MSELNJCFDIQGRQ-CYBMUJFWSA-N -1 3 369.812 3.049 20 0 FGADHM CN(C(=O)[C@@H]1CCOc2ccccc21)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821569513 606413911 /nfs/dbraw/zinc/41/39/11/606413911.db2.gz MSELNJCFDIQGRQ-CYBMUJFWSA-N -1 3 369.812 3.049 20 0 FGADHM c1cc(-c2nnn[n-]2)sc1CNc1ccc(OCC2CCOCC2)cc1 ZINC000823762104 606422846 /nfs/dbraw/zinc/42/28/46/606422846.db2.gz IQKSLQNMADSRIE-UHFFFAOYSA-N -1 3 371.466 3.346 20 0 FGADHM C[C@H]1CCN(c2c(-c3nnn[n-]3)cnc3ccc(OC(F)F)cc32)[C@H]1C ZINC000820728256 606424282 /nfs/dbraw/zinc/42/42/82/606424282.db2.gz UKAPNPTUTQIENT-UWVGGRQHSA-N -1 3 360.368 3.251 20 0 FGADHM C[C@H]1CCN(c2c(-c3nn[n-]n3)cnc3ccc(OC(F)F)cc32)[C@H]1C ZINC000820728256 606424285 /nfs/dbraw/zinc/42/42/85/606424285.db2.gz UKAPNPTUTQIENT-UWVGGRQHSA-N -1 3 360.368 3.251 20 0 FGADHM Fc1cc(F)c(F)c(CNc2c(F)cc(-c3nnn[n-]3)cc2F)c1F ZINC000822753169 606431540 /nfs/dbraw/zinc/43/15/40/606431540.db2.gz HKKHDTPAAQEAGL-UHFFFAOYSA-N -1 3 359.233 3.313 20 0 FGADHM Fc1cc(F)c(F)c(CNc2c(F)cc(-c3nn[n-]n3)cc2F)c1F ZINC000822753169 606431542 /nfs/dbraw/zinc/43/15/42/606431542.db2.gz HKKHDTPAAQEAGL-UHFFFAOYSA-N -1 3 359.233 3.313 20 0 FGADHM Cc1cc([C@H](C)NC(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)ccc1F ZINC000822191126 606444044 /nfs/dbraw/zinc/44/40/44/606444044.db2.gz GAEZWIOLWPAOPZ-ZDUSSCGKSA-N -1 3 368.416 3.217 20 0 FGADHM Cc1cc([C@H](C)NC(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)ccc1F ZINC000822191126 606444046 /nfs/dbraw/zinc/44/40/46/606444046.db2.gz GAEZWIOLWPAOPZ-ZDUSSCGKSA-N -1 3 368.416 3.217 20 0 FGADHM CCc1ccc(CC)c(NC(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821481516 606459975 /nfs/dbraw/zinc/45/99/75/606459975.db2.gz KSWIITQDHAUWSN-ZDUSSCGKSA-N -1 3 365.437 3.398 20 0 FGADHM CCCCO[C@@H]1C[C@@H](OC(=O)c2cc(-c3nnn[n-]3)cs2)C1(C)C ZINC000821071889 606468726 /nfs/dbraw/zinc/46/87/26/606468726.db2.gz NGRUGRDJEDNYDM-CHWSQXEVSA-N -1 3 350.444 3.069 20 0 FGADHM CCCCO[C@@H]1C[C@@H](OC(=O)c2cc(-c3nn[n-]n3)cs2)C1(C)C ZINC000821071889 606468727 /nfs/dbraw/zinc/46/87/27/606468727.db2.gz NGRUGRDJEDNYDM-CHWSQXEVSA-N -1 3 350.444 3.069 20 0 FGADHM O=C(OCc1cccc(OC(F)(F)F)c1)c1cc(-c2nnn[n-]2)cs1 ZINC000823430810 606469438 /nfs/dbraw/zinc/46/94/38/606469438.db2.gz JQSQNTRZBDBOPA-UHFFFAOYSA-N -1 3 370.312 3.184 20 0 FGADHM O=C(OCc1cccc(OC(F)(F)F)c1)c1cc(-c2nn[n-]n2)cs1 ZINC000823430810 606469440 /nfs/dbraw/zinc/46/94/40/606469440.db2.gz JQSQNTRZBDBOPA-UHFFFAOYSA-N -1 3 370.312 3.184 20 0 FGADHM CCOc1ccc([C@@H]2CCCN2C(=O)c2cc(-c3nnn[n-]3)cs2)cc1 ZINC000821418023 606485143 /nfs/dbraw/zinc/48/51/43/606485143.db2.gz UWROOHKIZCAWLT-HNNXBMFYSA-N -1 3 369.450 3.304 20 0 FGADHM CCOc1ccc([C@@H]2CCCN2C(=O)c2cc(-c3nn[n-]n3)cs2)cc1 ZINC000821418023 606485144 /nfs/dbraw/zinc/48/51/44/606485144.db2.gz UWROOHKIZCAWLT-HNNXBMFYSA-N -1 3 369.450 3.304 20 0 FGADHM Cc1cccc(OC(F)F)c1NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000822329139 606502863 /nfs/dbraw/zinc/50/28/63/606502863.db2.gz ZEPUMOCLYRETKB-UHFFFAOYSA-N -1 3 351.338 3.090 20 0 FGADHM Cc1cccc(OC(F)F)c1NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000822329139 606502864 /nfs/dbraw/zinc/50/28/64/606502864.db2.gz ZEPUMOCLYRETKB-UHFFFAOYSA-N -1 3 351.338 3.090 20 0 FGADHM CCc1ccc(CN(C(=O)Cc2cccc(-c3nnn[n-]3)c2)C2CC2)cc1 ZINC000821480754 606503645 /nfs/dbraw/zinc/50/36/45/606503645.db2.gz DTQHIZJITPAODM-UHFFFAOYSA-N -1 3 361.449 3.163 20 0 FGADHM CCc1ccc(CN(C(=O)Cc2cccc(-c3nn[n-]n3)c2)C2CC2)cc1 ZINC000821480754 606503646 /nfs/dbraw/zinc/50/36/46/606503646.db2.gz DTQHIZJITPAODM-UHFFFAOYSA-N -1 3 361.449 3.163 20 0 FGADHM Cc1ccc([C@H]2CSCCN2C(=O)c2cc(-c3nnn[n-]3)cs2)cc1 ZINC000822234021 606514615 /nfs/dbraw/zinc/51/46/15/606514615.db2.gz ZVEASSQDBQLLKC-CQSZACIVSA-N -1 3 371.491 3.167 20 0 FGADHM Cc1ccc([C@H]2CSCCN2C(=O)c2cc(-c3nn[n-]n3)cs2)cc1 ZINC000822234021 606514616 /nfs/dbraw/zinc/51/46/16/606514616.db2.gz ZVEASSQDBQLLKC-CQSZACIVSA-N -1 3 371.491 3.167 20 0 FGADHM O=C(N[C@H]1CCC[C@H]1Cc1ccccc1)c1cc(-c2nnn[n-]2)cs1 ZINC000823149850 606515220 /nfs/dbraw/zinc/51/52/20/606515220.db2.gz ICJNLSVZTWHMHY-ZFWWWQNUSA-N -1 3 353.451 3.069 20 0 FGADHM O=C(N[C@H]1CCC[C@H]1Cc1ccccc1)c1cc(-c2nn[n-]n2)cs1 ZINC000823149850 606515221 /nfs/dbraw/zinc/51/52/21/606515221.db2.gz ICJNLSVZTWHMHY-ZFWWWQNUSA-N -1 3 353.451 3.069 20 0 FGADHM CCc1ccc([C@H]2CCCCN2C(=O)c2cc(-c3nnn[n-]3)cs2)o1 ZINC000821481064 606516322 /nfs/dbraw/zinc/51/63/22/606516322.db2.gz HSMKENBNOFZBTK-CYBMUJFWSA-N -1 3 357.439 3.451 20 0 FGADHM CCc1ccc([C@H]2CCCCN2C(=O)c2cc(-c3nn[n-]n3)cs2)o1 ZINC000821481064 606516324 /nfs/dbraw/zinc/51/63/24/606516324.db2.gz HSMKENBNOFZBTK-CYBMUJFWSA-N -1 3 357.439 3.451 20 0 FGADHM CCCCc1nc2cc(NC(=O)c3ccc(-c4nnn[n-]4)s3)ccc2[nH]1 ZINC000821083317 606537734 /nfs/dbraw/zinc/53/77/34/606537734.db2.gz XTGANJLEIZTIRV-UHFFFAOYSA-N -1 3 367.438 3.399 20 0 FGADHM CCCCc1nc2cc(NC(=O)c3ccc(-c4nn[n-]n4)s3)ccc2[nH]1 ZINC000821083317 606537736 /nfs/dbraw/zinc/53/77/36/606537736.db2.gz XTGANJLEIZTIRV-UHFFFAOYSA-N -1 3 367.438 3.399 20 0 FGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N(CC1CC1)c1ccccc1 ZINC000823060871 606550093 /nfs/dbraw/zinc/55/00/93/606550093.db2.gz MJGZBBRQLKEXHN-UHFFFAOYSA-N -1 3 365.462 3.402 20 0 FGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N(CC1CC1)c1ccccc1 ZINC000823060871 606550094 /nfs/dbraw/zinc/55/00/94/606550094.db2.gz MJGZBBRQLKEXHN-UHFFFAOYSA-N -1 3 365.462 3.402 20 0 FGADHM O=C(Nc1c(F)cccc1Br)c1cccc(-c2nnn[n-]2)c1 ZINC000823289106 606551741 /nfs/dbraw/zinc/55/17/41/606551741.db2.gz BKLCEGBEPSDKHR-UHFFFAOYSA-N -1 3 362.162 3.021 20 0 FGADHM O=C(Nc1c(F)cccc1Br)c1cccc(-c2nn[n-]n2)c1 ZINC000823289106 606551743 /nfs/dbraw/zinc/55/17/43/606551743.db2.gz BKLCEGBEPSDKHR-UHFFFAOYSA-N -1 3 362.162 3.021 20 0 FGADHM Cc1ccc([C@@H]2CCCCN2C(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822233518 606571523 /nfs/dbraw/zinc/57/15/23/606571523.db2.gz QMDZLZPMXOZTQI-IBGZPJMESA-N -1 3 361.449 3.471 20 0 FGADHM Cc1ccc([C@@H]2CCCCN2C(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822233518 606571524 /nfs/dbraw/zinc/57/15/24/606571524.db2.gz QMDZLZPMXOZTQI-IBGZPJMESA-N -1 3 361.449 3.471 20 0 FGADHM O=C(NCC(F)F)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000823165946 606575074 /nfs/dbraw/zinc/57/50/74/606575074.db2.gz CJAVLIUCUXQIET-UHFFFAOYSA-N -1 3 360.324 3.046 20 0 FGADHM O=C(NCC(F)F)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000823165946 606575075 /nfs/dbraw/zinc/57/50/75/606575075.db2.gz CJAVLIUCUXQIET-UHFFFAOYSA-N -1 3 360.324 3.046 20 0 FGADHM CN(C)C(=O)Sc1cccc(COc2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC000821577992 606590814 /nfs/dbraw/zinc/59/08/14/606590814.db2.gz IMNKGHPQFSHGTM-UHFFFAOYSA-N -1 3 373.413 3.359 20 0 FGADHM CN(C)C(=O)Sc1cccc(COc2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC000821577992 606590816 /nfs/dbraw/zinc/59/08/16/606590816.db2.gz IMNKGHPQFSHGTM-UHFFFAOYSA-N -1 3 373.413 3.359 20 0 FGADHM C[C@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000820462008 606591902 /nfs/dbraw/zinc/59/19/02/606591902.db2.gz UFCHXEGBUFBLQN-AMJWSMQMSA-N -1 3 356.817 3.280 20 0 FGADHM C[C@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000820462008 606591903 /nfs/dbraw/zinc/59/19/03/606591903.db2.gz UFCHXEGBUFBLQN-AMJWSMQMSA-N -1 3 356.817 3.280 20 0 FGADHM COc1cc(F)ccc1NCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000821720618 606596529 /nfs/dbraw/zinc/59/65/29/606596529.db2.gz WEZMFWUNAYAJJB-UHFFFAOYSA-N -1 3 365.315 3.228 20 0 FGADHM COc1cc(F)ccc1NCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000821720618 606596531 /nfs/dbraw/zinc/59/65/31/606596531.db2.gz WEZMFWUNAYAJJB-UHFFFAOYSA-N -1 3 365.315 3.228 20 0 FGADHM CCNc1ccc(-c2nn[n-]n2)cc1NCC(=O)Nc1cccc(Cl)c1 ZINC000821310107 606600036 /nfs/dbraw/zinc/60/00/36/606600036.db2.gz WRXGBHCPZVQREM-UHFFFAOYSA-N -1 3 371.832 3.003 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N[C@H](C1CCCCC1)C(F)(F)F ZINC000823092455 606605784 /nfs/dbraw/zinc/60/57/84/606605784.db2.gz FKSCYIVIZDPBRC-OAHLLOKOSA-N -1 3 367.375 3.037 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N[C@H](C1CCCCC1)C(F)(F)F ZINC000823092455 606605787 /nfs/dbraw/zinc/60/57/87/606605787.db2.gz FKSCYIVIZDPBRC-OAHLLOKOSA-N -1 3 367.375 3.037 20 0 FGADHM CC(C(=O)NCCSCc1ccccc1-c1nnn[n-]1)=C1CCCC1 ZINC000819857280 606616525 /nfs/dbraw/zinc/61/65/25/606616525.db2.gz QJLHGMHRNLZRIQ-UHFFFAOYSA-N -1 3 357.483 3.107 20 0 FGADHM CC(C(=O)NCCSCc1ccccc1-c1nn[n-]n1)=C1CCCC1 ZINC000819857280 606616527 /nfs/dbraw/zinc/61/65/27/606616527.db2.gz QJLHGMHRNLZRIQ-UHFFFAOYSA-N -1 3 357.483 3.107 20 0 FGADHM O=C(c1sccc1-c1nnn[n-]1)N(CC(F)F)c1cccc(Cl)c1 ZINC000823497950 606624136 /nfs/dbraw/zinc/62/41/36/606624136.db2.gz BONQUIMDBLNFGG-UHFFFAOYSA-N -1 3 369.784 3.494 20 0 FGADHM O=C(c1sccc1-c1nn[n-]n1)N(CC(F)F)c1cccc(Cl)c1 ZINC000823497950 606624137 /nfs/dbraw/zinc/62/41/37/606624137.db2.gz BONQUIMDBLNFGG-UHFFFAOYSA-N -1 3 369.784 3.494 20 0 FGADHM CC(=O)Oc1ccc(CSc2nc(C)cc(C)c2-c2nnn[n-]2)cc1 ZINC000819826042 606629536 /nfs/dbraw/zinc/62/95/36/606629536.db2.gz DHXBVUUXABLVGR-UHFFFAOYSA-N -1 3 355.423 3.096 20 0 FGADHM CC(=O)Oc1ccc(CSc2nc(C)cc(C)c2-c2nn[n-]n2)cc1 ZINC000819826042 606629537 /nfs/dbraw/zinc/62/95/37/606629537.db2.gz DHXBVUUXABLVGR-UHFFFAOYSA-N -1 3 355.423 3.096 20 0 FGADHM C[C@H]1C[C@H](C)CN(C(=O)CSc2ccc(Cl)cc2-c2nnn[n-]2)C1 ZINC000820650876 606630376 /nfs/dbraw/zinc/63/03/76/606630376.db2.gz YAWVEBBWVRCBDI-QWRGUYRKSA-N -1 3 365.890 3.117 20 0 FGADHM C[C@H]1C[C@H](C)CN(C(=O)CSc2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC000820650876 606630378 /nfs/dbraw/zinc/63/03/78/606630378.db2.gz YAWVEBBWVRCBDI-QWRGUYRKSA-N -1 3 365.890 3.117 20 0 FGADHM COC(=O)c1ccc(CSc2ccc(Cl)cc2-c2nnn[n-]2)o1 ZINC000821669406 606630703 /nfs/dbraw/zinc/63/07/03/606630703.db2.gz KFRKLAFBYMOUPV-UHFFFAOYSA-N -1 3 350.787 3.192 20 0 FGADHM COC(=O)c1ccc(CSc2ccc(Cl)cc2-c2nn[n-]n2)o1 ZINC000821669406 606630704 /nfs/dbraw/zinc/63/07/04/606630704.db2.gz KFRKLAFBYMOUPV-UHFFFAOYSA-N -1 3 350.787 3.192 20 0 FGADHM Cc1ccccc1CNC(=O)CSc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000822361535 606630957 /nfs/dbraw/zinc/63/09/57/606630957.db2.gz DKZPZGFXPRNBBZ-UHFFFAOYSA-N -1 3 373.869 3.237 20 0 FGADHM Cc1ccccc1CNC(=O)CSc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000822361535 606630960 /nfs/dbraw/zinc/63/09/60/606630960.db2.gz DKZPZGFXPRNBBZ-UHFFFAOYSA-N -1 3 373.869 3.237 20 0 FGADHM COC(=O)c1occc1CSc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000821671142 606631122 /nfs/dbraw/zinc/63/11/22/606631122.db2.gz JXILJKJUVNOOSN-UHFFFAOYSA-N -1 3 350.787 3.192 20 0 FGADHM COC(=O)c1occc1CSc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000821671142 606631123 /nfs/dbraw/zinc/63/11/23/606631123.db2.gz JXILJKJUVNOOSN-UHFFFAOYSA-N -1 3 350.787 3.192 20 0 FGADHM C[C@H](Nc1ccc(-c2nnn[n-]2)cn1)c1cccc(OC(F)(F)F)c1 ZINC000820456473 606634340 /nfs/dbraw/zinc/63/43/40/606634340.db2.gz ULQAUZSOCITYTQ-VIFPVBQESA-N -1 3 350.304 3.333 20 0 FGADHM C[C@H](Nc1ccc(-c2nn[n-]n2)cn1)c1cccc(OC(F)(F)F)c1 ZINC000820456473 606634341 /nfs/dbraw/zinc/63/43/41/606634341.db2.gz ULQAUZSOCITYTQ-VIFPVBQESA-N -1 3 350.304 3.333 20 0 FGADHM C[C@@H](NC(=O)/C=C\SCc1ccco1)c1cccc(-c2nnn[n-]2)c1 ZINC000820321034 606636239 /nfs/dbraw/zinc/63/62/39/606636239.db2.gz BJZBCWBRVGUMTR-ZVTBTPLYSA-N -1 3 355.423 3.084 20 0 FGADHM C[C@@H](NC(=O)/C=C\SCc1ccco1)c1cccc(-c2nn[n-]n2)c1 ZINC000820321034 606636240 /nfs/dbraw/zinc/63/62/40/606636240.db2.gz BJZBCWBRVGUMTR-ZVTBTPLYSA-N -1 3 355.423 3.084 20 0 FGADHM C[C@H](c1ccco1)N(C(=O)Nc1ccc(F)cc1-c1nnn[n-]1)C1CC1 ZINC000820569999 606658071 /nfs/dbraw/zinc/65/80/71/606658071.db2.gz BSCOTMSVMDFBSC-SNVBAGLBSA-N -1 3 356.361 3.356 20 0 FGADHM C[C@H](c1ccco1)N(C(=O)Nc1ccc(F)cc1-c1nn[n-]n1)C1CC1 ZINC000820569999 606658072 /nfs/dbraw/zinc/65/80/72/606658072.db2.gz BSCOTMSVMDFBSC-SNVBAGLBSA-N -1 3 356.361 3.356 20 0 FGADHM C[C@@H](c1ccco1)N(C(=O)Nc1ccc(F)cc1-c1nnn[n-]1)C1CC1 ZINC000820569997 606658147 /nfs/dbraw/zinc/65/81/47/606658147.db2.gz BSCOTMSVMDFBSC-JTQLQIEISA-N -1 3 356.361 3.356 20 0 FGADHM C[C@@H](c1ccco1)N(C(=O)Nc1ccc(F)cc1-c1nn[n-]n1)C1CC1 ZINC000820569997 606658148 /nfs/dbraw/zinc/65/81/48/606658148.db2.gz BSCOTMSVMDFBSC-JTQLQIEISA-N -1 3 356.361 3.356 20 0 FGADHM C[C@@H](CSc1ccc(F)cc1)C(=O)Nc1sccc1-c1nnn[n-]1 ZINC000820293191 606664180 /nfs/dbraw/zinc/66/41/80/606664180.db2.gz IJKDKISZHJIPCO-VIFPVBQESA-N -1 3 363.443 3.434 20 0 FGADHM C[C@@H](CSc1ccc(F)cc1)C(=O)Nc1sccc1-c1nn[n-]n1 ZINC000820293191 606664181 /nfs/dbraw/zinc/66/41/81/606664181.db2.gz IJKDKISZHJIPCO-VIFPVBQESA-N -1 3 363.443 3.434 20 0 FGADHM Cc1sc(NC(=O)CCO[C@@H](C)CC(C)C)c(-c2nnn[n-]2)c1C ZINC000822559046 606664721 /nfs/dbraw/zinc/66/47/21/606664721.db2.gz UZAOYNYIBWPKRL-JTQLQIEISA-N -1 3 351.476 3.325 20 0 FGADHM Cc1sc(NC(=O)CCO[C@@H](C)CC(C)C)c(-c2nn[n-]n2)c1C ZINC000822559046 606664722 /nfs/dbraw/zinc/66/47/22/606664722.db2.gz UZAOYNYIBWPKRL-JTQLQIEISA-N -1 3 351.476 3.325 20 0 FGADHM O=C(c1c(F)cc(-c2nnn[n-]2)cc1F)N(Cc1ccccc1F)C1CC1 ZINC000823454088 606667563 /nfs/dbraw/zinc/66/75/63/606667563.db2.gz LMHDHLCWUZYOLK-UHFFFAOYSA-N -1 3 373.338 3.089 20 0 FGADHM O=C(c1c(F)cc(-c2nn[n-]n2)cc1F)N(Cc1ccccc1F)C1CC1 ZINC000823454088 606667564 /nfs/dbraw/zinc/66/75/64/606667564.db2.gz LMHDHLCWUZYOLK-UHFFFAOYSA-N -1 3 373.338 3.089 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Cc1ccc(F)c(F)c1 ZINC000821104358 606667670 /nfs/dbraw/zinc/66/76/70/606667670.db2.gz AFIBBOJDWJAYEY-UHFFFAOYSA-N -1 3 371.391 3.126 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Cc1ccc(F)c(F)c1 ZINC000821104358 606667671 /nfs/dbraw/zinc/66/76/71/606667671.db2.gz AFIBBOJDWJAYEY-UHFFFAOYSA-N -1 3 371.391 3.126 20 0 FGADHM CCOc1ccccc1[C@H](C)NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821430634 606667792 /nfs/dbraw/zinc/66/77/92/606667792.db2.gz AUJSVFONCRQNBT-JTQLQIEISA-N -1 3 373.363 3.035 20 0 FGADHM CCOc1ccccc1[C@H](C)NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821430634 606667793 /nfs/dbraw/zinc/66/77/93/606667793.db2.gz AUJSVFONCRQNBT-JTQLQIEISA-N -1 3 373.363 3.035 20 0 FGADHM CC(C)[C@H](CNC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000820020315 606669065 /nfs/dbraw/zinc/66/90/65/606669065.db2.gz DPYSNYKMXWCAIE-AWEZNQCLSA-N -1 3 371.391 3.315 20 0 FGADHM CC(C)[C@H](CNC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000820020315 606669066 /nfs/dbraw/zinc/66/90/66/606669066.db2.gz DPYSNYKMXWCAIE-AWEZNQCLSA-N -1 3 371.391 3.315 20 0 FGADHM Cc1ccc([C@@H](C)N(C)C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1 ZINC000822228827 606669861 /nfs/dbraw/zinc/66/98/61/606669861.db2.gz GIQYOYKBOVHCBJ-LLVKDONJSA-N -1 3 357.364 3.287 20 0 FGADHM Cc1ccc([C@@H](C)N(C)C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1 ZINC000822228827 606669862 /nfs/dbraw/zinc/66/98/62/606669862.db2.gz GIQYOYKBOVHCBJ-LLVKDONJSA-N -1 3 357.364 3.287 20 0 FGADHM C[C@@H]1CCN(C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)[C@@H]2CCCC[C@@H]12 ZINC000820715690 606671739 /nfs/dbraw/zinc/67/17/39/606671739.db2.gz CILXSMPONYGWRY-IFUGULHKSA-N -1 3 361.396 3.186 20 0 FGADHM C[C@@H]1CCN(C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)[C@@H]2CCCC[C@@H]12 ZINC000820715690 606671740 /nfs/dbraw/zinc/67/17/40/606671740.db2.gz CILXSMPONYGWRY-IFUGULHKSA-N -1 3 361.396 3.186 20 0 FGADHM CC[C@H](NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1ccccc1OC ZINC000820919234 606671826 /nfs/dbraw/zinc/67/18/26/606671826.db2.gz ADRCNNCRPJOKFG-AWEZNQCLSA-N -1 3 373.363 3.035 20 0 FGADHM CC[C@H](NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccccc1OC ZINC000820919234 606671827 /nfs/dbraw/zinc/67/18/27/606671827.db2.gz ADRCNNCRPJOKFG-AWEZNQCLSA-N -1 3 373.363 3.035 20 0 FGADHM C[C@H]1CCN(C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c2ccccc21 ZINC000820716287 606671893 /nfs/dbraw/zinc/67/18/93/606671893.db2.gz IIULCRAVKFLUSF-JTQLQIEISA-N -1 3 355.348 3.299 20 0 FGADHM C[C@H]1CCN(C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c2ccccc21 ZINC000820716287 606671894 /nfs/dbraw/zinc/67/18/94/606671894.db2.gz IIULCRAVKFLUSF-JTQLQIEISA-N -1 3 355.348 3.299 20 0 FGADHM CCSc1ccccc1OC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821460989 606679892 /nfs/dbraw/zinc/67/98/92/606679892.db2.gz IHKAOPIUWCWHSR-UHFFFAOYSA-N -1 3 362.361 3.476 20 0 FGADHM CCSc1ccccc1OC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821460989 606679893 /nfs/dbraw/zinc/67/98/93/606679893.db2.gz IHKAOPIUWCWHSR-UHFFFAOYSA-N -1 3 362.361 3.476 20 0 FGADHM CC[C@@H](C)c1ccc(C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000820882135 606683181 /nfs/dbraw/zinc/68/31/81/606683181.db2.gz KNZKCPWSRKNPGL-GFCCVEGCSA-N -1 3 353.401 3.449 20 0 FGADHM CC[C@@H](C)c1ccc(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000820882135 606683182 /nfs/dbraw/zinc/68/31/82/606683182.db2.gz KNZKCPWSRKNPGL-GFCCVEGCSA-N -1 3 353.401 3.449 20 0 FGADHM Cc1ccc(COC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000822238672 606686787 /nfs/dbraw/zinc/68/67/87/606686787.db2.gz QCHBLTWEQAAYKK-UHFFFAOYSA-N -1 3 360.464 3.213 20 0 FGADHM Cc1ccc(COC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000822238672 606686788 /nfs/dbraw/zinc/68/67/88/606686788.db2.gz QCHBLTWEQAAYKK-UHFFFAOYSA-N -1 3 360.464 3.213 20 0 FGADHM C[C@@H](NC(=O)c1sccc1-c1nnn[n-]1)c1cccc(N2CCCC2)c1 ZINC000820403962 606693333 /nfs/dbraw/zinc/69/33/33/606693333.db2.gz NZLZWDCLDYPEJZ-GFCCVEGCSA-N -1 3 368.466 3.019 20 0 FGADHM C[C@@H](NC(=O)c1sccc1-c1nn[n-]n1)c1cccc(N2CCCC2)c1 ZINC000820403962 606693334 /nfs/dbraw/zinc/69/33/34/606693334.db2.gz NZLZWDCLDYPEJZ-GFCCVEGCSA-N -1 3 368.466 3.019 20 0 FGADHM C[C@H](OC1CCCCCC1)C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000820520084 606724345 /nfs/dbraw/zinc/72/43/45/606724345.db2.gz YIOOYJKCLQOFLV-LBPRGKRZSA-N -1 3 361.421 3.097 20 0 FGADHM C[C@H](OC1CCCCCC1)C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000820520084 606724346 /nfs/dbraw/zinc/72/43/46/606724346.db2.gz YIOOYJKCLQOFLV-LBPRGKRZSA-N -1 3 361.421 3.097 20 0 FGADHM CC(C)Sc1ccccc1NC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000820183970 606744664 /nfs/dbraw/zinc/74/46/64/606744664.db2.gz PUSNXFOWELYXHK-UHFFFAOYSA-N -1 3 369.450 3.385 20 0 FGADHM C[C@@H](OC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1ccc(F)cc1F ZINC000820502729 606747506 /nfs/dbraw/zinc/74/75/06/606747506.db2.gz VBTAOGSEHJYZBR-SSDOTTSWSA-N -1 3 366.274 3.341 20 0 FGADHM C[C@@H](OC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccc(F)cc1F ZINC000820502729 606747507 /nfs/dbraw/zinc/74/75/07/606747507.db2.gz VBTAOGSEHJYZBR-SSDOTTSWSA-N -1 3 366.274 3.341 20 0 FGADHM Cc1cccc(-c2noc(COc3cc(Cl)ccc3-c3nnn[n-]3)n2)c1 ZINC000822284777 606780717 /nfs/dbraw/zinc/78/07/17/606780717.db2.gz ZRPLOZPJFJRYHC-UHFFFAOYSA-N -1 3 368.784 3.458 20 0 FGADHM Cc1cccc(-c2noc(COc3cc(Cl)ccc3-c3nn[n-]n3)n2)c1 ZINC000822284777 606780720 /nfs/dbraw/zinc/78/07/20/606780720.db2.gz ZRPLOZPJFJRYHC-UHFFFAOYSA-N -1 3 368.784 3.458 20 0 FGADHM COc1ccc(OC(F)F)c(CNc2cccc(F)c2-c2nnn[n-]2)c1 ZINC000821837215 606801081 /nfs/dbraw/zinc/80/10/81/606801081.db2.gz BDSDQIUIIVLCOO-UHFFFAOYSA-N -1 3 365.315 3.228 20 0 FGADHM COc1ccc(OC(F)F)c(CNc2cccc(F)c2-c2nn[n-]n2)c1 ZINC000821837215 606801082 /nfs/dbraw/zinc/80/10/82/606801082.db2.gz BDSDQIUIIVLCOO-UHFFFAOYSA-N -1 3 365.315 3.228 20 0 FGADHM O=C(Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)[C@@H]1CCSC1 ZINC000823350472 606804090 /nfs/dbraw/zinc/80/40/90/606804090.db2.gz OIVOXEHRTSDQRX-CYBMUJFWSA-N -1 3 367.434 3.351 20 0 FGADHM O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)[C@@H]1CCSC1 ZINC000823350472 606804092 /nfs/dbraw/zinc/80/40/92/606804092.db2.gz OIVOXEHRTSDQRX-CYBMUJFWSA-N -1 3 367.434 3.351 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)Nc1ccccc1OCC(F)F ZINC000822935791 606808194 /nfs/dbraw/zinc/80/81/94/606808194.db2.gz NNWSIUHHPFZDKO-KTKRTIGZSA-N -1 3 371.347 3.163 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)Nc1ccccc1OCC(F)F ZINC000822935791 606808196 /nfs/dbraw/zinc/80/81/96/606808196.db2.gz NNWSIUHHPFZDKO-KTKRTIGZSA-N -1 3 371.347 3.163 20 0 FGADHM CCCC[C@@H](NC(=O)CSc1ccc(-c2nnn[n-]2)cc1)C1CCC1 ZINC000821043025 606816979 /nfs/dbraw/zinc/81/69/79/606816979.db2.gz KSYGNFHAMGFIEA-MRXNPFEDSA-N -1 3 359.499 3.434 20 0 FGADHM CCCC[C@@H](NC(=O)CSc1ccc(-c2nn[n-]n2)cc1)C1CCC1 ZINC000821043025 606816980 /nfs/dbraw/zinc/81/69/80/606816980.db2.gz KSYGNFHAMGFIEA-MRXNPFEDSA-N -1 3 359.499 3.434 20 0 FGADHM O=C(NCCSCc1ccccc1-c1nnn[n-]1)C(F)=C1CCCC1 ZINC000823219943 606833962 /nfs/dbraw/zinc/83/39/62/606833962.db2.gz UIKCRMJEGOUDDU-UHFFFAOYSA-N -1 3 361.446 3.014 20 0 FGADHM O=C(NCCSCc1ccccc1-c1nn[n-]n1)C(F)=C1CCCC1 ZINC000823219943 606833963 /nfs/dbraw/zinc/83/39/63/606833963.db2.gz UIKCRMJEGOUDDU-UHFFFAOYSA-N -1 3 361.446 3.014 20 0 FGADHM CN(CC(F)F)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821595323 606834729 /nfs/dbraw/zinc/83/47/29/606834729.db2.gz SOQUEXBUERXWGO-UHFFFAOYSA-N -1 3 374.351 3.388 20 0 FGADHM CN(CC(F)F)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821595323 606834731 /nfs/dbraw/zinc/83/47/31/606834731.db2.gz SOQUEXBUERXWGO-UHFFFAOYSA-N -1 3 374.351 3.388 20 0 FGADHM c1cc(-c2ccn(CCCOc3cccc(-c4nnn[n-]4)c3)n2)cs1 ZINC000823762161 606840070 /nfs/dbraw/zinc/84/00/70/606840070.db2.gz KWLYQPFQGXMZKR-UHFFFAOYSA-N -1 3 352.423 3.261 20 0 FGADHM c1cc(-c2ccn(CCCOc3cccc(-c4nn[n-]n4)c3)n2)cs1 ZINC000823762161 606840071 /nfs/dbraw/zinc/84/00/71/606840071.db2.gz KWLYQPFQGXMZKR-UHFFFAOYSA-N -1 3 352.423 3.261 20 0 FGADHM FC(F)Oc1ccccc1OCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000822737067 606840190 /nfs/dbraw/zinc/84/01/90/606840190.db2.gz PBRJFGVNNIERPV-UHFFFAOYSA-N -1 3 362.336 3.316 20 0 FGADHM FC(F)Oc1ccccc1OCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000822737067 606840192 /nfs/dbraw/zinc/84/01/92/606840192.db2.gz PBRJFGVNNIERPV-UHFFFAOYSA-N -1 3 362.336 3.316 20 0 FGADHM C[C@@H]1C[C@@H](C)CN(C(=O)CSc2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC000820649143 606850839 /nfs/dbraw/zinc/85/08/39/606850839.db2.gz JDDJGKCQMXUYEM-GHMZBOCLSA-N -1 3 365.890 3.117 20 0 FGADHM C[C@@H]1C[C@@H](C)CN(C(=O)CSc2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC000820649143 606850841 /nfs/dbraw/zinc/85/08/41/606850841.db2.gz JDDJGKCQMXUYEM-GHMZBOCLSA-N -1 3 365.890 3.117 20 0 FGADHM CN(C(=O)c1cncc(-c2ccccc2)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000821574554 606864450 /nfs/dbraw/zinc/86/44/50/606864450.db2.gz LQBBHKXRPWUXSD-UHFFFAOYSA-N -1 3 374.379 3.344 20 0 FGADHM CN(C(=O)c1cncc(-c2ccccc2)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000821574554 606864452 /nfs/dbraw/zinc/86/44/52/606864452.db2.gz LQBBHKXRPWUXSD-UHFFFAOYSA-N -1 3 374.379 3.344 20 0 FGADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccc(C(C)(C)C)s1 ZINC000821609745 606864926 /nfs/dbraw/zinc/86/49/26/606864926.db2.gz KDCXLABVTOWVFZ-UHFFFAOYSA-N -1 3 355.467 3.498 20 0 FGADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccc(C(C)(C)C)s1 ZINC000821609745 606864928 /nfs/dbraw/zinc/86/49/28/606864928.db2.gz KDCXLABVTOWVFZ-UHFFFAOYSA-N -1 3 355.467 3.498 20 0 FGADHM CCC[C@H]1CCCN(C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)C1 ZINC000821040816 606871323 /nfs/dbraw/zinc/87/13/23/606871323.db2.gz SLTHJJCVUFYPQU-ZDUSSCGKSA-N -1 3 359.478 3.467 20 0 FGADHM CCC[C@H]1CCCN(C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)C1 ZINC000821040816 606871324 /nfs/dbraw/zinc/87/13/24/606871324.db2.gz SLTHJJCVUFYPQU-ZDUSSCGKSA-N -1 3 359.478 3.467 20 0 FGADHM CCS[C@@H]1CC[C@H](N(C)C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000821449113 606871442 /nfs/dbraw/zinc/87/14/42/606871442.db2.gz QCEAFYIVGVVMCI-UHOFOFEASA-N -1 3 374.514 3.243 20 0 FGADHM CCS[C@@H]1CC[C@H](N(C)C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000821449113 606871444 /nfs/dbraw/zinc/87/14/44/606871444.db2.gz QCEAFYIVGVVMCI-UHOFOFEASA-N -1 3 374.514 3.243 20 0 FGADHM CCC[C@@H]1CCCN(C(=O)CSCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000821041007 606872615 /nfs/dbraw/zinc/87/26/15/606872615.db2.gz XDPXSDCYUGWSGC-CQSZACIVSA-N -1 3 359.499 3.139 20 0 FGADHM CCC[C@@H]1CCCN(C(=O)CSCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821041007 606872617 /nfs/dbraw/zinc/87/26/17/606872617.db2.gz XDPXSDCYUGWSGC-CQSZACIVSA-N -1 3 359.499 3.139 20 0 FGADHM O[C@@H](CNc1ccc(-c2nn[n-]n2)cc1F)c1cc2ccccc2s1 ZINC000823689729 606878156 /nfs/dbraw/zinc/87/81/56/606878156.db2.gz IWZLWBIGAXEIIV-AWEZNQCLSA-N -1 3 355.398 3.366 20 0 FGADHM CCc1nnc(N(C)Cc2ccc(Cl)s2)c(-c2nnn[n-]2)c1CC ZINC000821520879 606909297 /nfs/dbraw/zinc/90/92/97/606909297.db2.gz BKEFJDNDAVAJGW-UHFFFAOYSA-N -1 3 363.878 3.133 20 0 FGADHM CCc1nnc(N(C)Cc2ccc(Cl)s2)c(-c2nn[n-]n2)c1CC ZINC000821520879 606909299 /nfs/dbraw/zinc/90/92/99/606909299.db2.gz BKEFJDNDAVAJGW-UHFFFAOYSA-N -1 3 363.878 3.133 20 0 FGADHM CCOCCC1(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)CCCC1 ZINC000821373064 606914857 /nfs/dbraw/zinc/91/48/57/606914857.db2.gz CSPLREJGLRGQHS-AWEZNQCLSA-N -1 3 357.458 3.031 20 0 FGADHM CCOCCC1(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)CCCC1 ZINC000821373064 606914859 /nfs/dbraw/zinc/91/48/59/606914859.db2.gz CSPLREJGLRGQHS-AWEZNQCLSA-N -1 3 357.458 3.031 20 0 FGADHM FC(F)(F)c1ccc(N2CCO[C@H](c3ccco3)C2)c(-c2nnn[n-]2)c1 ZINC000822723903 606943722 /nfs/dbraw/zinc/94/37/22/606943722.db2.gz SGNNXPPIYRMXBG-AWEZNQCLSA-N -1 3 365.315 3.056 20 0 FGADHM FC(F)(F)c1ccc(N2CCO[C@H](c3ccco3)C2)c(-c2nn[n-]n2)c1 ZINC000822723903 606943723 /nfs/dbraw/zinc/94/37/23/606943723.db2.gz SGNNXPPIYRMXBG-AWEZNQCLSA-N -1 3 365.315 3.056 20 0 FGADHM c1cc([C@@H]2CN(c3cc(-c4nnn[n-]4)c4ccccc4n3)CCO2)cs1 ZINC000823791796 606949811 /nfs/dbraw/zinc/94/98/11/606949811.db2.gz IJAAPOQXZWLXNK-INIZCTEOSA-N -1 3 364.434 3.054 20 0 FGADHM c1cc([C@@H]2CN(c3cc(-c4nn[n-]n4)c4ccccc4n3)CCO2)cs1 ZINC000823791796 606949812 /nfs/dbraw/zinc/94/98/12/606949812.db2.gz IJAAPOQXZWLXNK-INIZCTEOSA-N -1 3 364.434 3.054 20 0 FGADHM C[C@@H]1c2cc(F)cc(F)c2CCN1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000820821274 606950426 /nfs/dbraw/zinc/95/04/26/606950426.db2.gz SAJQWXPAKLVSDO-SNVBAGLBSA-N -1 3 370.363 3.296 20 0 FGADHM C[C@@H]1c2cc(F)cc(F)c2CCN1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000820821274 606950427 /nfs/dbraw/zinc/95/04/27/606950427.db2.gz SAJQWXPAKLVSDO-SNVBAGLBSA-N -1 3 370.363 3.296 20 0 FGADHM CCOCCC1(C(=O)OCc2ccc(F)cc2-c2nnn[n-]2)CCCC1 ZINC000821373077 606953521 /nfs/dbraw/zinc/95/35/21/606953521.db2.gz DKGFAHBQHSGMSI-UHFFFAOYSA-N -1 3 362.405 3.036 20 0 FGADHM CCOCCC1(C(=O)OCc2ccc(F)cc2-c2nn[n-]n2)CCCC1 ZINC000821373077 606953523 /nfs/dbraw/zinc/95/35/23/606953523.db2.gz DKGFAHBQHSGMSI-UHFFFAOYSA-N -1 3 362.405 3.036 20 0 FGADHM C[C@@H]1CCC[C@@H](OCC(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)C1 ZINC000820696713 606961985 /nfs/dbraw/zinc/96/19/85/606961985.db2.gz BLHIXHOQVQNOMD-DGCLKSJQSA-N -1 3 363.849 3.078 20 0 FGADHM C[C@@H]1CCC[C@@H](OCC(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)C1 ZINC000820696713 606961987 /nfs/dbraw/zinc/96/19/87/606961987.db2.gz BLHIXHOQVQNOMD-DGCLKSJQSA-N -1 3 363.849 3.078 20 0 FGADHM C[C@@H](C(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1)c1ccccc1F ZINC000819857442 606962152 /nfs/dbraw/zinc/96/21/52/606962152.db2.gz RVKMPLVUYZCNEQ-SNVBAGLBSA-N -1 3 359.792 3.426 20 0 FGADHM C[C@@H](C(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1)c1ccccc1F ZINC000819857442 606962154 /nfs/dbraw/zinc/96/21/54/606962154.db2.gz RVKMPLVUYZCNEQ-SNVBAGLBSA-N -1 3 359.792 3.426 20 0 FGADHM CN(C(=O)C=Cc1nc2ccccc2s1)c1ccccc1-c1nnn[n-]1 ZINC000821569591 606973069 /nfs/dbraw/zinc/97/30/69/606973069.db2.gz OXYSDHDZOILBIZ-ZHACJKMWSA-N -1 3 362.418 3.153 20 0 FGADHM CN(C(=O)C=Cc1nc2ccccc2s1)c1ccccc1-c1nn[n-]n1 ZINC000821569591 606973070 /nfs/dbraw/zinc/97/30/70/606973070.db2.gz OXYSDHDZOILBIZ-ZHACJKMWSA-N -1 3 362.418 3.153 20 0 FGADHM CCC(=O)c1ccc(OCCCOc2ccc(-c3nn[n-]n3)cc2)c(F)c1 ZINC000820842924 606982232 /nfs/dbraw/zinc/98/22/32/606982232.db2.gz RCWFULNAUTVYHT-UHFFFAOYSA-N -1 3 370.384 3.446 20 0 FGADHM CCS[C@H](C)c1noc(COc2c(C)cc(-c3nn[n-]n3)cc2C)n1 ZINC000821446454 606982237 /nfs/dbraw/zinc/98/22/37/606982237.db2.gz AORDEQULSXQUCT-LLVKDONJSA-N -1 3 360.443 3.260 20 0 FGADHM CCS[C@H](C)c1noc(CNc2ccc(Cl)c(-c3nnn[n-]3)c2)n1 ZINC000821449775 606984168 /nfs/dbraw/zinc/98/41/68/606984168.db2.gz XMNNEKFIJXRUCP-MRVPVSSYSA-N -1 3 365.850 3.329 20 0 FGADHM CCS[C@H](C)c1noc(CNc2ccc(Cl)c(-c3nn[n-]n3)c2)n1 ZINC000821449775 606984169 /nfs/dbraw/zinc/98/41/69/606984169.db2.gz XMNNEKFIJXRUCP-MRVPVSSYSA-N -1 3 365.850 3.329 20 0 FGADHM COc1ccccc1[C@H](C)CC(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000821882789 606998301 /nfs/dbraw/zinc/99/83/01/606998301.db2.gz KUQFWFHMUDHXBW-GFCCVEGCSA-N -1 3 370.384 3.251 20 0 FGADHM COc1ccccc1[C@H](C)CC(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821882789 606998303 /nfs/dbraw/zinc/99/83/03/606998303.db2.gz KUQFWFHMUDHXBW-GFCCVEGCSA-N -1 3 370.384 3.251 20 0 FGADHM O=C(C[C@@H]1CCOc2ccccc21)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822946558 607000651 /nfs/dbraw/zinc/00/06/51/607000651.db2.gz YKGLUSGWYDVHHI-ZDUSSCGKSA-N -1 3 368.368 3.005 20 0 FGADHM O=C(C[C@@H]1CCOc2ccccc21)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822946558 607000652 /nfs/dbraw/zinc/00/06/52/607000652.db2.gz YKGLUSGWYDVHHI-ZDUSSCGKSA-N -1 3 368.368 3.005 20 0 FGADHM O=C(CCc1cc(Cl)cs1)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822974269 607000714 /nfs/dbraw/zinc/00/07/14/607000714.db2.gz DYZBKAUMLHQOBF-UHFFFAOYSA-N -1 3 366.805 3.397 20 0 FGADHM O=C(CCc1cc(Cl)cs1)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822974269 607000715 /nfs/dbraw/zinc/00/07/15/607000715.db2.gz DYZBKAUMLHQOBF-UHFFFAOYSA-N -1 3 366.805 3.397 20 0 FGADHM Clc1ccc(-n2cc(CSc3ccc(-c4nnn[n-]4)cc3)nn2)cc1 ZINC000822573969 607008818 /nfs/dbraw/zinc/00/88/18/607008818.db2.gz LWFWXBGISVTIQG-UHFFFAOYSA-N -1 3 369.841 3.393 20 0 FGADHM Clc1ccc(-n2cc(CSc3ccc(-c4nn[n-]n4)cc3)nn2)cc1 ZINC000822573969 607008819 /nfs/dbraw/zinc/00/88/19/607008819.db2.gz LWFWXBGISVTIQG-UHFFFAOYSA-N -1 3 369.841 3.393 20 0 FGADHM CC(C)[C@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000820649625 607013492 /nfs/dbraw/zinc/01/34/92/607013492.db2.gz NJFVNDQSMJOVDX-CPUCHLNUSA-N -1 3 373.526 3.488 20 0 FGADHM CC(C)[C@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000820649625 607013494 /nfs/dbraw/zinc/01/34/94/607013494.db2.gz NJFVNDQSMJOVDX-CPUCHLNUSA-N -1 3 373.526 3.488 20 0 FGADHM C[C@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000820557297 607016972 /nfs/dbraw/zinc/01/69/72/607016972.db2.gz XXENZIOGAALERF-RSUWNVLCSA-N -1 3 359.499 3.288 20 0 FGADHM C[C@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000820557297 607016974 /nfs/dbraw/zinc/01/69/74/607016974.db2.gz XXENZIOGAALERF-RSUWNVLCSA-N -1 3 359.499 3.288 20 0 FGADHM Cc1ccc(CSC[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000822240216 607017839 /nfs/dbraw/zinc/01/78/39/607017839.db2.gz XSCPUVPOCYPRPF-KRWDZBQOSA-N -1 3 370.478 3.157 20 0 FGADHM C[C@H]1CC[C@H](CC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)C1 ZINC000820683432 607036041 /nfs/dbraw/zinc/03/60/41/607036041.db2.gz BAQBAIFULGBKFM-UWVGGRQHSA-N -1 3 351.357 3.233 20 0 FGADHM C[C@H]1CC[C@H](CC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)C1 ZINC000820683432 607036042 /nfs/dbraw/zinc/03/60/42/607036042.db2.gz BAQBAIFULGBKFM-UWVGGRQHSA-N -1 3 351.357 3.233 20 0 FGADHM CCC(=CC(=O)Nc1c(C)c(C)nn1-c1ccc(-c2nn[n-]n2)cc1)CC ZINC000820833218 607039395 /nfs/dbraw/zinc/03/93/95/607039395.db2.gz UDTJOURSANMLHX-UHFFFAOYSA-N -1 3 365.441 3.354 20 0 FGADHM Fc1ccc(-c2nn[n-]n2)c(CSc2n[nH]c(Cc3cccs3)n2)c1 ZINC000822757981 607039977 /nfs/dbraw/zinc/03/99/77/607039977.db2.gz INFBLVUWNIEUEQ-UHFFFAOYSA-N -1 3 373.442 3.069 20 0 FGADHM CC(C)CO[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2C(F)(F)F)C1 ZINC000820098369 607044041 /nfs/dbraw/zinc/04/40/41/607044041.db2.gz XILAHEBFMWZIFN-GFCCVEGCSA-N -1 3 355.364 3.137 20 0 FGADHM C[C@@H](OC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1)c1cccc(F)c1 ZINC000820481744 607082576 /nfs/dbraw/zinc/08/25/76/607082576.db2.gz ZPDATIXUBGQBPA-GFCCVEGCSA-N -1 3 370.384 3.468 20 0 FGADHM C[C@@H](OC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1)c1cccc(F)c1 ZINC000820481744 607082578 /nfs/dbraw/zinc/08/25/78/607082578.db2.gz ZPDATIXUBGQBPA-GFCCVEGCSA-N -1 3 370.384 3.468 20 0 FGADHM O=C(C[C@@H]1CCc2ccccc21)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000822945481 607084456 /nfs/dbraw/zinc/08/44/56/607084456.db2.gz GWBWFJIMOUZRRL-ZDUSSCGKSA-N -1 3 352.369 3.169 20 0 FGADHM O=C(C[C@@H]1CCc2ccccc21)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000822945481 607084458 /nfs/dbraw/zinc/08/44/58/607084458.db2.gz GWBWFJIMOUZRRL-ZDUSSCGKSA-N -1 3 352.369 3.169 20 0 FGADHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)[C@H]1SCCc2ccccc21 ZINC000823413770 607086826 /nfs/dbraw/zinc/08/68/26/607086826.db2.gz MSFLKQHDRVOZLH-INIZCTEOSA-N -1 3 370.409 3.080 20 0 FGADHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)[C@H]1SCCc2ccccc21 ZINC000823413770 607086827 /nfs/dbraw/zinc/08/68/27/607086827.db2.gz MSFLKQHDRVOZLH-INIZCTEOSA-N -1 3 370.409 3.080 20 0 FGADHM CCOc1cc(Cl)ccc1NC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000821393820 607095400 /nfs/dbraw/zinc/09/54/00/607095400.db2.gz BWLLUOXRGGGZTO-UHFFFAOYSA-N -1 3 372.816 3.241 20 0 FGADHM CCOc1cc(Cl)ccc1NC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000821393820 607095402 /nfs/dbraw/zinc/09/54/02/607095402.db2.gz BWLLUOXRGGGZTO-UHFFFAOYSA-N -1 3 372.816 3.241 20 0 FGADHM Cc1ccc(N(C)C(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000822241354 607099024 /nfs/dbraw/zinc/09/90/24/607099024.db2.gz STOJBXJDEMSKOK-UHFFFAOYSA-N -1 3 365.437 3.304 20 0 FGADHM Cc1ccc(N(C)C(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000822241354 607099026 /nfs/dbraw/zinc/09/90/26/607099026.db2.gz STOJBXJDEMSKOK-UHFFFAOYSA-N -1 3 365.437 3.304 20 0 FGADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(F)cc1Cl ZINC000821304274 607100802 /nfs/dbraw/zinc/10/08/02/607100802.db2.gz DJIRHLOGGKFXJH-UHFFFAOYSA-N -1 3 360.780 3.343 20 0 FGADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc2ccccc2n1 ZINC000821305162 607101056 /nfs/dbraw/zinc/10/10/56/607101056.db2.gz ZSQQZEXACFAWEW-UHFFFAOYSA-N -1 3 359.393 3.099 20 0 FGADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(SCC)nc1 ZINC000821305134 607101201 /nfs/dbraw/zinc/10/12/01/607101201.db2.gz YLGFAIQQLHJNMG-UHFFFAOYSA-N -1 3 369.454 3.058 20 0 FGADHM C[C@@H](OC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1)c1ccccc1F ZINC000820480950 607118233 /nfs/dbraw/zinc/11/82/33/607118233.db2.gz RBVVOLDNOJKTKK-GFCCVEGCSA-N -1 3 370.384 3.468 20 0 FGADHM C[C@@H](OC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1)c1ccccc1F ZINC000820480950 607118235 /nfs/dbraw/zinc/11/82/35/607118235.db2.gz RBVVOLDNOJKTKK-GFCCVEGCSA-N -1 3 370.384 3.468 20 0 FGADHM CS/C=C\C(=O)OCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000821956632 607120259 /nfs/dbraw/zinc/12/02/59/607120259.db2.gz UDKGNVZDHDWEFY-KHPPLWFESA-N -1 3 352.419 3.454 20 0 FGADHM CS/C=C\C(=O)OCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000821956632 607120261 /nfs/dbraw/zinc/12/02/61/607120261.db2.gz UDKGNVZDHDWEFY-KHPPLWFESA-N -1 3 352.419 3.454 20 0 FGADHM Clc1cc(-c2nn[n-]n2)ccc1NCc1noc(-c2ccccc2)n1 ZINC000822562760 607126333 /nfs/dbraw/zinc/12/63/33/607126333.db2.gz DMMRVZVLIVSZJH-UHFFFAOYSA-N -1 3 353.773 3.182 20 0 FGADHM Fc1ccc(CNc2ccn(-c3ccccc3Cl)n2)cc1-c1nnn[n-]1 ZINC000822771119 607126456 /nfs/dbraw/zinc/12/64/56/607126456.db2.gz BYMFRCFEYSYGGB-UHFFFAOYSA-N -1 3 369.791 3.457 20 0 FGADHM Fc1ccc(CNc2ccn(-c3ccccc3Cl)n2)cc1-c1nn[n-]n1 ZINC000822771119 607126457 /nfs/dbraw/zinc/12/64/57/607126457.db2.gz BYMFRCFEYSYGGB-UHFFFAOYSA-N -1 3 369.791 3.457 20 0 FGADHM Cc1coc(-c2ccc(C)c(NC(=O)c3ccc(-c4nnn[n-]4)cc3)c2)n1 ZINC000822403086 607131758 /nfs/dbraw/zinc/13/17/58/607131758.db2.gz KXZQPBFXYUOJRI-UHFFFAOYSA-N -1 3 360.377 3.391 20 0 FGADHM Cc1coc(-c2ccc(C)c(NC(=O)c3ccc(-c4nn[n-]n4)cc3)c2)n1 ZINC000822403086 607131760 /nfs/dbraw/zinc/13/17/60/607131760.db2.gz KXZQPBFXYUOJRI-UHFFFAOYSA-N -1 3 360.377 3.391 20 0 FGADHM CSc1ccc(NC(=O)[C@@H](C)Oc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000821984331 607136451 /nfs/dbraw/zinc/13/64/51/607136451.db2.gz MZAXOVDOHSENND-SNVBAGLBSA-N -1 3 373.413 3.134 20 0 FGADHM CSc1ccc(NC(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000821984331 607136452 /nfs/dbraw/zinc/13/64/52/607136452.db2.gz MZAXOVDOHSENND-SNVBAGLBSA-N -1 3 373.413 3.134 20 0 FGADHM Cc1cc(C)c(NC(=O)[C@@H](C)Oc2ccc(-c3nnn[n-]3)cc2F)c(C)c1 ZINC000822194487 607138425 /nfs/dbraw/zinc/13/84/25/607138425.db2.gz ZWPLXXHJWVMTDG-CYBMUJFWSA-N -1 3 369.400 3.337 20 0 FGADHM Cc1cc(C)c(NC(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2F)c(C)c1 ZINC000822194487 607138426 /nfs/dbraw/zinc/13/84/26/607138426.db2.gz ZWPLXXHJWVMTDG-CYBMUJFWSA-N -1 3 369.400 3.337 20 0 FGADHM C[C@@H](SCc1ccc(-c2nnn[n-]2)cc1)c1cn(-c2ccccc2)nn1 ZINC000820550196 607150189 /nfs/dbraw/zinc/15/01/89/607150189.db2.gz VSPCMPLWJZFJOR-CYBMUJFWSA-N -1 3 363.450 3.442 20 0 FGADHM C[C@@H](SCc1ccc(-c2nn[n-]n2)cc1)c1cn(-c2ccccc2)nn1 ZINC000820550196 607150190 /nfs/dbraw/zinc/15/01/90/607150190.db2.gz VSPCMPLWJZFJOR-CYBMUJFWSA-N -1 3 363.450 3.442 20 0 FGADHM CCC(CC)(CC)C(=O)NCCSCc1ccccc1-c1nnn[n-]1 ZINC000820882082 607152314 /nfs/dbraw/zinc/15/23/14/607152314.db2.gz JDZXLVVKXJVTKE-UHFFFAOYSA-N -1 3 361.515 3.433 20 0 FGADHM CCC(CC)(CC)C(=O)NCCSCc1ccccc1-c1nn[n-]n1 ZINC000820882082 607152316 /nfs/dbraw/zinc/15/23/16/607152316.db2.gz JDZXLVVKXJVTKE-UHFFFAOYSA-N -1 3 361.515 3.433 20 0 FGADHM CCCCC[C@@H]1CCCN1C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000821048412 607153321 /nfs/dbraw/zinc/15/33/21/607153321.db2.gz CNVJXIAYXLSNAM-OAHLLOKOSA-N -1 3 360.437 3.260 20 0 FGADHM CCCCC[C@@H]1CCCN1C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000821048412 607153327 /nfs/dbraw/zinc/15/33/27/607153327.db2.gz CNVJXIAYXLSNAM-OAHLLOKOSA-N -1 3 360.437 3.260 20 0 FGADHM Cc1cc(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)CC(C)C)oc1C ZINC000822169053 607156691 /nfs/dbraw/zinc/15/66/91/607156691.db2.gz XPYXPSITVRHDAH-UHFFFAOYSA-N -1 3 353.426 3.375 20 0 FGADHM Cc1cc(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)CC(C)C)oc1C ZINC000822169053 607156693 /nfs/dbraw/zinc/15/66/93/607156693.db2.gz XPYXPSITVRHDAH-UHFFFAOYSA-N -1 3 353.426 3.375 20 0 FGADHM Cc1[nH]c2ccccc2c1C(=O)COc1ccc(-c2nnn[n-]2)cc1F ZINC000822010064 607170764 /nfs/dbraw/zinc/17/07/64/607170764.db2.gz LUAMAGSJFUEJEQ-UHFFFAOYSA-N -1 3 351.341 3.057 20 0 FGADHM Cc1[nH]c2ccccc2c1C(=O)COc1ccc(-c2nn[n-]n2)cc1F ZINC000822010064 607170765 /nfs/dbraw/zinc/17/07/65/607170765.db2.gz LUAMAGSJFUEJEQ-UHFFFAOYSA-N -1 3 351.341 3.057 20 0 FGADHM CC1(C)[C@H](Nc2ccc(C(F)(F)F)cc2-c2nnn[n-]2)[C@@H]2CCO[C@H]21 ZINC000820584909 607173341 /nfs/dbraw/zinc/17/33/41/607173341.db2.gz LFAGGUDVQAMIQU-ZWKOPEQDSA-N -1 3 353.348 3.111 20 0 FGADHM CC1(C)[C@H](Nc2ccc(C(F)(F)F)cc2-c2nn[n-]n2)[C@@H]2CCO[C@H]21 ZINC000820584909 607173342 /nfs/dbraw/zinc/17/33/42/607173342.db2.gz LFAGGUDVQAMIQU-ZWKOPEQDSA-N -1 3 353.348 3.111 20 0 FGADHM C[C@]1(c2ccccc2)C[C@@H]1NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820637481 607196293 /nfs/dbraw/zinc/19/62/93/607196293.db2.gz XTUHAFZUTOGKGJ-MAUKXSAKSA-N -1 3 368.828 3.372 20 0 FGADHM C[C@]1(c2ccccc2)C[C@@H]1NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820637481 607196294 /nfs/dbraw/zinc/19/62/94/607196294.db2.gz XTUHAFZUTOGKGJ-MAUKXSAKSA-N -1 3 368.828 3.372 20 0 FGADHM Cc1cccc(CN(C)C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000822303768 607198410 /nfs/dbraw/zinc/19/84/10/607198410.db2.gz IMUCWKWYFYFOLZ-UHFFFAOYSA-N -1 3 356.817 3.492 20 0 FGADHM Cc1cccc(CN(C)C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000822303768 607198411 /nfs/dbraw/zinc/19/84/11/607198411.db2.gz IMUCWKWYFYFOLZ-UHFFFAOYSA-N -1 3 356.817 3.492 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N1CCC(C(F)(F)F)CC1 ZINC000823313641 607201140 /nfs/dbraw/zinc/20/11/40/607201140.db2.gz GSQPJXACCAQAHR-UHFFFAOYSA-N -1 3 374.754 3.326 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N1CCC(C(F)(F)F)CC1 ZINC000823313641 607201141 /nfs/dbraw/zinc/20/11/41/607201141.db2.gz GSQPJXACCAQAHR-UHFFFAOYSA-N -1 3 374.754 3.326 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N[C@H]1CCOc2ccccc21 ZINC000823319416 607203027 /nfs/dbraw/zinc/20/30/27/607203027.db2.gz UZLHFYHDDMJNQM-ZDUSSCGKSA-N -1 3 370.800 3.165 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N[C@H]1CCOc2ccccc21 ZINC000823319416 607203028 /nfs/dbraw/zinc/20/30/28/607203028.db2.gz UZLHFYHDDMJNQM-ZDUSSCGKSA-N -1 3 370.800 3.165 20 0 FGADHM CCOc1ncccc1CNc1cc(-c2nnn[n-]2)ccc1C(F)(F)F ZINC000821437618 607226878 /nfs/dbraw/zinc/22/68/78/607226878.db2.gz QBLGVEDJBTZNJO-UHFFFAOYSA-N -1 3 364.331 3.291 20 0 FGADHM CCOc1ncccc1CNc1cc(-c2nn[n-]n2)ccc1C(F)(F)F ZINC000821437618 607226879 /nfs/dbraw/zinc/22/68/79/607226879.db2.gz QBLGVEDJBTZNJO-UHFFFAOYSA-N -1 3 364.331 3.291 20 0 FGADHM C[C@@](O)(CNc1cc(-c2nnn[n-]2)ccc1C(F)(F)F)c1ccsc1 ZINC000820467497 607227947 /nfs/dbraw/zinc/22/79/47/607227947.db2.gz IMIRDGPSVZQKMM-CQSZACIVSA-N -1 3 369.372 3.267 20 0 FGADHM C[C@@](O)(CNc1cc(-c2nn[n-]n2)ccc1C(F)(F)F)c1ccsc1 ZINC000820467497 607227948 /nfs/dbraw/zinc/22/79/48/607227948.db2.gz IMIRDGPSVZQKMM-CQSZACIVSA-N -1 3 369.372 3.267 20 0 FGADHM COc1ccc(C(C)(C)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000821772720 607235680 /nfs/dbraw/zinc/23/56/80/607235680.db2.gz NBIHMFGPGSXZAW-UHFFFAOYSA-N -1 3 371.828 3.445 20 0 FGADHM COc1ccc(C(C)(C)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000821772720 607235681 /nfs/dbraw/zinc/23/56/81/607235681.db2.gz NBIHMFGPGSXZAW-UHFFFAOYSA-N -1 3 371.828 3.445 20 0 FGADHM CC(C)(O)CCSc1nc2c(c(-c3ccco3)c1-c1nnn[n-]1)CCC2 ZINC000819992242 607236514 /nfs/dbraw/zinc/23/65/14/607236514.db2.gz RUVPVGDFECJZST-UHFFFAOYSA-N -1 3 371.466 3.264 20 0 FGADHM C[C@@H]1CCC[C@@H](C)N(C(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820690259 607238766 /nfs/dbraw/zinc/23/87/66/607238766.db2.gz IGWDNKKHZHVHPL-ZIAGYGMSSA-N -1 3 357.458 3.061 20 0 FGADHM C[C@@H]1CCC[C@@H](C)N(C(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820690259 607238767 /nfs/dbraw/zinc/23/87/67/607238767.db2.gz IGWDNKKHZHVHPL-ZIAGYGMSSA-N -1 3 357.458 3.061 20 0 FGADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cccc2ccncc21 ZINC000820001246 607239380 /nfs/dbraw/zinc/23/93/80/607239380.db2.gz GTHHQZMMJIXYLA-UHFFFAOYSA-N -1 3 374.404 3.211 20 0 FGADHM COc1ccc([C@H](C)CC(=O)Oc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000821777982 607245426 /nfs/dbraw/zinc/24/54/26/607245426.db2.gz QVGBVVNBZLCABA-LLVKDONJSA-N -1 3 356.357 3.114 20 0 FGADHM COc1ccc([C@H](C)CC(=O)Oc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000821777982 607245427 /nfs/dbraw/zinc/24/54/27/607245427.db2.gz QVGBVVNBZLCABA-LLVKDONJSA-N -1 3 356.357 3.114 20 0 FGADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1OC1CCC1 ZINC000823451076 607245824 /nfs/dbraw/zinc/24/58/24/607245824.db2.gz UMHMJOYFLDERIO-UHFFFAOYSA-N -1 3 354.341 3.156 20 0 FGADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1OC1CCC1 ZINC000823451076 607245825 /nfs/dbraw/zinc/24/58/25/607245825.db2.gz UMHMJOYFLDERIO-UHFFFAOYSA-N -1 3 354.341 3.156 20 0 FGADHM CC[C@@H](CSc1ccccc1)NC(=O)c1sccc1-c1nnn[n-]1 ZINC000825128732 607779603 /nfs/dbraw/zinc/77/96/03/607779603.db2.gz XZQCKFBBMDSQBK-NSHDSACASA-N -1 3 359.480 3.229 20 0 FGADHM CC[C@@H](CSc1ccccc1)NC(=O)c1sccc1-c1nn[n-]n1 ZINC000825128732 607779604 /nfs/dbraw/zinc/77/96/04/607779604.db2.gz XZQCKFBBMDSQBK-NSHDSACASA-N -1 3 359.480 3.229 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)CCc1ccc(F)cc1F ZINC000826253156 607779687 /nfs/dbraw/zinc/77/96/87/607779687.db2.gz HBOBUAHCBKLEQK-UHFFFAOYSA-N -1 3 358.348 3.129 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)CCc1ccc(F)cc1F ZINC000826253156 607779688 /nfs/dbraw/zinc/77/96/88/607779688.db2.gz HBOBUAHCBKLEQK-UHFFFAOYSA-N -1 3 358.348 3.129 20 0 FGADHM COCC[C@@H](OC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000826154931 607780245 /nfs/dbraw/zinc/78/02/45/607780245.db2.gz AUYOMWLPRLHDOV-YUIUBULTSA-N -1 3 364.405 3.201 20 0 FGADHM COCC[C@@H](OC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000826154931 607780246 /nfs/dbraw/zinc/78/02/46/607780246.db2.gz AUYOMWLPRLHDOV-YUIUBULTSA-N -1 3 364.405 3.201 20 0 FGADHM COc1cccc(OCCSCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826217639 607785093 /nfs/dbraw/zinc/78/50/93/607785093.db2.gz WFRWUIOVBUSZOM-UHFFFAOYSA-N -1 3 372.450 3.066 20 0 FGADHM COc1cccc(OCCSCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826217639 607785094 /nfs/dbraw/zinc/78/50/94/607785094.db2.gz WFRWUIOVBUSZOM-UHFFFAOYSA-N -1 3 372.450 3.066 20 0 FGADHM CC[C@H](Oc1ccccc1Cl)C(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC000825159308 607789495 /nfs/dbraw/zinc/78/94/95/607789495.db2.gz NENQEZPJVSFYCK-HNNXBMFYSA-N -1 3 371.828 3.341 20 0 FGADHM CC[C@H](Oc1ccccc1Cl)C(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC000825159308 607789496 /nfs/dbraw/zinc/78/94/96/607789496.db2.gz NENQEZPJVSFYCK-HNNXBMFYSA-N -1 3 371.828 3.341 20 0 FGADHM CN(C(=O)c1ccc(OC(C)(C)C)cc1)c1ccccc1-c1nnn[n-]1 ZINC000825829944 607790842 /nfs/dbraw/zinc/79/08/42/607790842.db2.gz LMANFKOPRFNDGH-UHFFFAOYSA-N -1 3 351.410 3.321 20 0 FGADHM CN(C(=O)c1ccc(OC(C)(C)C)cc1)c1ccccc1-c1nn[n-]n1 ZINC000825829944 607790843 /nfs/dbraw/zinc/79/08/43/607790843.db2.gz LMANFKOPRFNDGH-UHFFFAOYSA-N -1 3 351.410 3.321 20 0 FGADHM CCN(C(=O)c1cccc(-n2cccc2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825385720 607800157 /nfs/dbraw/zinc/80/01/57/607800157.db2.gz RTRDGXCDOBZZNM-UHFFFAOYSA-N -1 3 358.405 3.324 20 0 FGADHM CCN(C(=O)c1cccc(-n2cccc2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825385720 607800158 /nfs/dbraw/zinc/80/01/58/607800158.db2.gz RTRDGXCDOBZZNM-UHFFFAOYSA-N -1 3 358.405 3.324 20 0 FGADHM CCSc1ccc(C(=O)N(CC)c2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000825674706 607800526 /nfs/dbraw/zinc/80/05/26/607800526.db2.gz QTYFVLNESOMVMN-UHFFFAOYSA-N -1 3 354.439 3.040 20 0 FGADHM CCSc1ccc(C(=O)N(CC)c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000825674706 607800527 /nfs/dbraw/zinc/80/05/27/607800527.db2.gz QTYFVLNESOMVMN-UHFFFAOYSA-N -1 3 354.439 3.040 20 0 FGADHM CCN(C(=O)[C@@H](C)OC1CCCCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825362840 607800737 /nfs/dbraw/zinc/80/07/37/607800737.db2.gz RPNOLUNCIOGVFT-CQSZACIVSA-N -1 3 357.458 3.348 20 0 FGADHM CCN(C(=O)[C@@H](C)OC1CCCCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825362840 607800738 /nfs/dbraw/zinc/80/07/38/607800738.db2.gz RPNOLUNCIOGVFT-CQSZACIVSA-N -1 3 357.458 3.348 20 0 FGADHM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)cn1)c1ccc(C(F)(F)F)cc1 ZINC000736156992 607801027 /nfs/dbraw/zinc/80/10/27/607801027.db2.gz GYUSXUXIUWKPLL-SECBINFHSA-N -1 3 363.299 3.199 20 0 FGADHM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)cn1)c1ccc(C(F)(F)F)cc1 ZINC000736156992 607801028 /nfs/dbraw/zinc/80/10/28/607801028.db2.gz GYUSXUXIUWKPLL-SECBINFHSA-N -1 3 363.299 3.199 20 0 FGADHM CC(C)[C@H]1CC[C@H](C(=O)OCC(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000824343139 607804419 /nfs/dbraw/zinc/80/44/19/607804419.db2.gz YREDXZHUECFXRT-HDJSIYSDSA-N -1 3 356.426 3.055 20 0 FGADHM CC(C)[C@H]1CC[C@H](C(=O)OCC(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000824343139 607804420 /nfs/dbraw/zinc/80/44/20/607804420.db2.gz YREDXZHUECFXRT-HDJSIYSDSA-N -1 3 356.426 3.055 20 0 FGADHM Clc1cccc(-c2nnn[n-]2)c1N1CCO[C@]2(CCc3ccccc32)C1 ZINC000826352863 607811307 /nfs/dbraw/zinc/81/13/07/607811307.db2.gz QSOASMYGSSLCCE-LJQANCHMSA-N -1 3 367.840 3.198 20 0 FGADHM Clc1cccc(-c2nn[n-]n2)c1N1CCO[C@]2(CCc3ccccc32)C1 ZINC000826352863 607811308 /nfs/dbraw/zinc/81/13/08/607811308.db2.gz QSOASMYGSSLCCE-LJQANCHMSA-N -1 3 367.840 3.198 20 0 FGADHM Clc1ccccc1OC[C@@H]1CCCN(c2ncccc2-c2nnn[n-]2)C1 ZINC000826353860 607820472 /nfs/dbraw/zinc/82/04/72/607820472.db2.gz HAYHHMRNNMKXAM-CYBMUJFWSA-N -1 3 370.844 3.211 20 0 FGADHM Clc1ccccc1OC[C@@H]1CCCN(c2ncccc2-c2nn[n-]n2)C1 ZINC000826353860 607820473 /nfs/dbraw/zinc/82/04/73/607820473.db2.gz HAYHHMRNNMKXAM-CYBMUJFWSA-N -1 3 370.844 3.211 20 0 FGADHM Clc1ccccc1OC[C@H]1CCCN(c2ncccc2-c2nnn[n-]2)C1 ZINC000826353861 607820517 /nfs/dbraw/zinc/82/05/17/607820517.db2.gz HAYHHMRNNMKXAM-ZDUSSCGKSA-N -1 3 370.844 3.211 20 0 FGADHM Clc1ccccc1OC[C@H]1CCCN(c2ncccc2-c2nn[n-]n2)C1 ZINC000826353861 607820518 /nfs/dbraw/zinc/82/05/18/607820518.db2.gz HAYHHMRNNMKXAM-ZDUSSCGKSA-N -1 3 370.844 3.211 20 0 FGADHM CCCCOCCCNC(=O)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000825291585 607833197 /nfs/dbraw/zinc/83/31/97/607833197.db2.gz ULSBMJCUKDAKRG-UHFFFAOYSA-N -1 3 372.256 3.110 20 0 FGADHM CCCCOCCCNC(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000825291585 607833198 /nfs/dbraw/zinc/83/31/98/607833198.db2.gz ULSBMJCUKDAKRG-UHFFFAOYSA-N -1 3 372.256 3.110 20 0 FGADHM COc1ccccc1C1(CNc2cnccc2-c2nnn[n-]2)CCCC1 ZINC000826218432 607840609 /nfs/dbraw/zinc/84/06/09/607840609.db2.gz BNJHVXIGPCSYHI-UHFFFAOYSA-N -1 3 350.426 3.194 20 0 FGADHM COc1ccccc1C1(CNc2cnccc2-c2nn[n-]n2)CCCC1 ZINC000826218432 607840610 /nfs/dbraw/zinc/84/06/10/607840610.db2.gz BNJHVXIGPCSYHI-UHFFFAOYSA-N -1 3 350.426 3.194 20 0 FGADHM Clc1cc(-c2nnn[n-]2)ccc1SCc1nnc(-c2ccco2)o1 ZINC000826350700 607845624 /nfs/dbraw/zinc/84/56/24/607845624.db2.gz HMNVZYYSHJGLTG-UHFFFAOYSA-N -1 3 360.786 3.455 20 0 FGADHM Clc1cc(-c2nn[n-]n2)ccc1SCc1nnc(-c2ccco2)o1 ZINC000826350700 607845625 /nfs/dbraw/zinc/84/56/25/607845625.db2.gz HMNVZYYSHJGLTG-UHFFFAOYSA-N -1 3 360.786 3.455 20 0 FGADHM CN(CN1c2cccc3cccc(c23)C1=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000825950797 607848200 /nfs/dbraw/zinc/84/82/00/607848200.db2.gz VXEORELFIZJABL-UHFFFAOYSA-N -1 3 374.379 3.213 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cccc(C)c1Cl ZINC000825626297 607853516 /nfs/dbraw/zinc/85/35/16/607853516.db2.gz JFYNVCZUCMXGPQ-UHFFFAOYSA-N -1 3 357.801 3.480 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cccc(C)c1Cl ZINC000825626297 607853517 /nfs/dbraw/zinc/85/35/17/607853517.db2.gz JFYNVCZUCMXGPQ-UHFFFAOYSA-N -1 3 357.801 3.480 20 0 FGADHM C/C=C/c1ccc(OC[C@H](O)c2ccc(-c3nnn[n-]3)cc2)c(OC)c1 ZINC000825029433 607870824 /nfs/dbraw/zinc/87/08/24/607870824.db2.gz SIUIBCLUHOKENN-CWDCEQMOSA-N -1 3 352.394 3.021 20 0 FGADHM C/C=C/c1ccc(OC[C@H](O)c2ccc(-c3nn[n-]n3)cc2)c(OC)c1 ZINC000825029433 607870825 /nfs/dbraw/zinc/87/08/25/607870825.db2.gz SIUIBCLUHOKENN-CWDCEQMOSA-N -1 3 352.394 3.021 20 0 FGADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000825971354 607881329 /nfs/dbraw/zinc/88/13/29/607881329.db2.gz CLLSIPAVNDUXOC-XYJFISCASA-N -1 3 353.470 3.432 20 0 FGADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000825971354 607881330 /nfs/dbraw/zinc/88/13/30/607881330.db2.gz CLLSIPAVNDUXOC-XYJFISCASA-N -1 3 353.470 3.432 20 0 FGADHM Cc1noc(C)c1CCSc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC000826338587 607893344 /nfs/dbraw/zinc/89/33/44/607893344.db2.gz ALJYMOQCRXZOEQ-UHFFFAOYSA-N -1 3 356.455 3.080 20 0 FGADHM Cc1noc(C)c1CCSc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC000826338587 607893345 /nfs/dbraw/zinc/89/33/45/607893345.db2.gz ALJYMOQCRXZOEQ-UHFFFAOYSA-N -1 3 356.455 3.080 20 0 FGADHM CC1(C)CCC[C@H](C(=O)Nc2ccnn2-c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000824801383 607894625 /nfs/dbraw/zinc/89/46/25/607894625.db2.gz FBXXERKANMIAMS-AWEZNQCLSA-N -1 3 365.441 3.207 20 0 FGADHM C[C@H](Nc1c(Cl)cccc1-c1nnn[n-]1)c1ccc([S@](C)=O)cc1 ZINC000824651166 607903524 /nfs/dbraw/zinc/90/35/24/607903524.db2.gz XBPWIZJAVHZTJR-JUZXBQNTSA-N -1 3 361.858 3.431 20 0 FGADHM C[C@H](Nc1c(Cl)cccc1-c1nn[n-]n1)c1ccc([S@](C)=O)cc1 ZINC000824651166 607903525 /nfs/dbraw/zinc/90/35/25/607903525.db2.gz XBPWIZJAVHZTJR-JUZXBQNTSA-N -1 3 361.858 3.431 20 0 FGADHM C[C@H](Cc1ccc(Cl)s1)OC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000824456953 607924530 /nfs/dbraw/zinc/92/45/30/607924530.db2.gz BQQWQSPMNWTVAV-SNVBAGLBSA-N -1 3 362.842 3.299 20 0 FGADHM C[C@H](Cc1ccc(Cl)s1)OC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000824456953 607924531 /nfs/dbraw/zinc/92/45/31/607924531.db2.gz BQQWQSPMNWTVAV-SNVBAGLBSA-N -1 3 362.842 3.299 20 0 FGADHM CS[C@H](C)CC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000826224704 607932614 /nfs/dbraw/zinc/93/26/14/607932614.db2.gz KIMIKUCLKAKXSI-LLVKDONJSA-N -1 3 370.438 3.134 20 0 FGADHM CS[C@H](C)CC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000826224704 607932615 /nfs/dbraw/zinc/93/26/15/607932615.db2.gz KIMIKUCLKAKXSI-LLVKDONJSA-N -1 3 370.438 3.134 20 0 FGADHM O=C(c1cc2ccc(F)cc2s1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826470582 607947551 /nfs/dbraw/zinc/94/75/51/607947551.db2.gz VSJJSCSGJKICFK-UHFFFAOYSA-N -1 3 365.393 3.423 20 0 FGADHM O=C(c1cc2ccc(F)cc2s1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826470582 607947552 /nfs/dbraw/zinc/94/75/52/607947552.db2.gz VSJJSCSGJKICFK-UHFFFAOYSA-N -1 3 365.393 3.423 20 0 FGADHM C[C@H](C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21)c1cccc(Cl)c1 ZINC000824041195 607950630 /nfs/dbraw/zinc/95/06/30/607950630.db2.gz YWVFGTLCZICQAF-NSHDSACASA-N -1 3 353.813 3.213 20 0 FGADHM C[C@H](C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21)c1cccc(Cl)c1 ZINC000824041195 607950629 /nfs/dbraw/zinc/95/06/29/607950629.db2.gz YWVFGTLCZICQAF-NSHDSACASA-N -1 3 353.813 3.213 20 0 FGADHM O=C(c1ccc(-c2ccco2)s1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826470929 607956106 /nfs/dbraw/zinc/95/61/06/607956106.db2.gz ILIBLRVQRIYFNH-UHFFFAOYSA-N -1 3 363.402 3.391 20 0 FGADHM O=C(c1ccc(-c2ccco2)s1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826470929 607956107 /nfs/dbraw/zinc/95/61/07/607956107.db2.gz ILIBLRVQRIYFNH-UHFFFAOYSA-N -1 3 363.402 3.391 20 0 FGADHM Cn1cc(-c2ccccc2CNc2c(F)cc(-c3nnn[n-]3)cc2F)cn1 ZINC000826356458 607966762 /nfs/dbraw/zinc/96/67/62/607966762.db2.gz RUHDIKAVXORVQA-UHFFFAOYSA-N -1 3 367.363 3.158 20 0 FGADHM Cn1cc(-c2ccccc2CNc2c(F)cc(-c3nn[n-]n3)cc2F)cn1 ZINC000826356458 607966763 /nfs/dbraw/zinc/96/67/63/607966763.db2.gz RUHDIKAVXORVQA-UHFFFAOYSA-N -1 3 367.363 3.158 20 0 FGADHM CC(=Cc1cccc(Cl)c1)C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000823942352 607969375 /nfs/dbraw/zinc/96/93/75/607969375.db2.gz BTQBJJYRYDELRB-WQLSENKSSA-N -1 3 353.813 3.240 20 0 FGADHM CC(=Cc1cccc(Cl)c1)C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000823942352 607969376 /nfs/dbraw/zinc/96/93/76/607969376.db2.gz BTQBJJYRYDELRB-WQLSENKSSA-N -1 3 353.813 3.240 20 0 FGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C1CCC(F)(F)CC1 ZINC000824293524 607979222 /nfs/dbraw/zinc/97/92/22/607979222.db2.gz PWLPBVXNSVNMQL-UHFFFAOYSA-N -1 3 363.412 3.429 20 0 FGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C1CCC(F)(F)CC1 ZINC000824293524 607979223 /nfs/dbraw/zinc/97/92/23/607979223.db2.gz PWLPBVXNSVNMQL-UHFFFAOYSA-N -1 3 363.412 3.429 20 0 FGADHM C[C@H](NC(=O)c1cc(C2CCCCC2)n[nH]1)c1cccc(-c2nnn[n-]2)c1 ZINC000824514168 607986350 /nfs/dbraw/zinc/98/63/50/607986350.db2.gz MJVYWVAKELUZKM-LBPRGKRZSA-N -1 3 365.441 3.129 20 0 FGADHM C[C@H](NC(=O)c1cc(C2CCCCC2)n[nH]1)c1cccc(-c2nn[n-]n2)c1 ZINC000824514168 607986351 /nfs/dbraw/zinc/98/63/51/607986351.db2.gz MJVYWVAKELUZKM-LBPRGKRZSA-N -1 3 365.441 3.129 20 0 FGADHM Cc1oc(NC(=O)[C@@H](C)N2CC=C(C(C)(C)C)CC2)c(-c2nnn[n-]2)c1C ZINC000826341745 607986661 /nfs/dbraw/zinc/98/66/61/607986661.db2.gz PBSXHCHJWXOXAI-GFCCVEGCSA-N -1 3 372.473 3.082 20 0 FGADHM Cc1oc(NC(=O)[C@@H](C)N2CC=C(C(C)(C)C)CC2)c(-c2nn[n-]n2)c1C ZINC000826341745 607986662 /nfs/dbraw/zinc/98/66/62/607986662.db2.gz PBSXHCHJWXOXAI-GFCCVEGCSA-N -1 3 372.473 3.082 20 0 FGADHM C[C@@H](NC(=O)N1CCCC12CCCCC2)c1ccc(-c2nnn[n-]2)cc1 ZINC000824489045 607986796 /nfs/dbraw/zinc/98/67/96/607986796.db2.gz IFQQAZVJPZJAJF-CQSZACIVSA-N -1 3 354.458 3.436 20 0 FGADHM C[C@@H](NC(=O)N1CCCC12CCCCC2)c1ccc(-c2nn[n-]n2)cc1 ZINC000824489045 607986797 /nfs/dbraw/zinc/98/67/97/607986797.db2.gz IFQQAZVJPZJAJF-CQSZACIVSA-N -1 3 354.458 3.436 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1NC1CCC(OC(=O)[C@@H]2C[C@H]2C)CC1 ZINC000826254647 608012141 /nfs/dbraw/zinc/01/21/41/608012141.db2.gz VJXWDFHSFQPNPL-JGVXXWTJSA-N -1 3 355.442 3.097 20 0 FGADHM C[C@@H](NC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1)c1ccc[nH]1 ZINC000824520636 608030354 /nfs/dbraw/zinc/03/03/54/608030354.db2.gz AQRKIHOFSAZGOH-CYBMUJFWSA-N -1 3 358.405 3.353 20 0 FGADHM C[C@@H](NC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1)c1ccc[nH]1 ZINC000824520636 608030355 /nfs/dbraw/zinc/03/03/55/608030355.db2.gz AQRKIHOFSAZGOH-CYBMUJFWSA-N -1 3 358.405 3.353 20 0 FGADHM CCC(CC)[C@H](C)C(=O)NCCSCc1ccccc1-c1nnn[n-]1 ZINC000825097810 608048708 /nfs/dbraw/zinc/04/87/08/608048708.db2.gz ZBTCHVUWZRIGBI-ZDUSSCGKSA-N -1 3 361.515 3.288 20 0 FGADHM CCC(CC)[C@H](C)C(=O)NCCSCc1ccccc1-c1nn[n-]n1 ZINC000825097810 608048709 /nfs/dbraw/zinc/04/87/09/608048709.db2.gz ZBTCHVUWZRIGBI-ZDUSSCGKSA-N -1 3 361.515 3.288 20 0 FGADHM COC1CCC(CNc2ccc(-c3nn[n-]n3)cc2Br)CC1 ZINC000826146307 608050712 /nfs/dbraw/zinc/05/07/12/608050712.db2.gz SYJHLPLRYYXAGO-UHFFFAOYSA-N -1 3 366.263 3.246 20 0 FGADHM Cc1cc2ccccc2nc1N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826273244 608053155 /nfs/dbraw/zinc/05/31/55/608053155.db2.gz VGGFHCZALWXROE-IBGZPJMESA-N -1 3 372.432 3.301 20 0 FGADHM Cc1cc2ccccc2nc1N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826273244 608053156 /nfs/dbraw/zinc/05/31/56/608053156.db2.gz VGGFHCZALWXROE-IBGZPJMESA-N -1 3 372.432 3.301 20 0 FGADHM C[C@H](c1ccc(F)c(F)c1)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824763207 608067089 /nfs/dbraw/zinc/06/70/89/608067089.db2.gz LCOYNIGLUANOBV-KZULUSFZSA-N -1 3 371.391 3.279 20 0 FGADHM C[C@H](c1ccc(F)c(F)c1)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824763207 608067090 /nfs/dbraw/zinc/06/70/90/608067090.db2.gz LCOYNIGLUANOBV-KZULUSFZSA-N -1 3 371.391 3.279 20 0 FGADHM CCN(C)[C@@H](C(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000825391157 608091166 /nfs/dbraw/zinc/09/11/66/608091166.db2.gz VWJUCFLPSDWYAC-KBXCAEBGSA-N -1 3 365.437 3.164 20 0 FGADHM CCN(C)[C@@H](C(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000825391157 608091167 /nfs/dbraw/zinc/09/11/67/608091167.db2.gz VWJUCFLPSDWYAC-KBXCAEBGSA-N -1 3 365.437 3.164 20 0 FGADHM Clc1cc(N[C@@H]2CC[C@H]3SCCS[C@@H]23)ccc1-c1nnn[n-]1 ZINC000826350637 608098882 /nfs/dbraw/zinc/09/88/82/608098882.db2.gz FMLMYJLCXWKCPL-UPJWGTAASA-N -1 3 353.904 3.312 20 0 FGADHM Clc1cc(N[C@@H]2CC[C@H]3SCCS[C@@H]23)ccc1-c1nn[n-]n1 ZINC000826350637 608098883 /nfs/dbraw/zinc/09/88/83/608098883.db2.gz FMLMYJLCXWKCPL-UPJWGTAASA-N -1 3 353.904 3.312 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cc(Cl)c(N)c(Cl)c1 ZINC000826278901 608120791 /nfs/dbraw/zinc/12/07/91/608120791.db2.gz XVULRPTVFSNPMD-UHFFFAOYSA-N -1 3 363.208 3.316 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(Cl)c(N)c(Cl)c1 ZINC000826278901 608120792 /nfs/dbraw/zinc/12/07/92/608120792.db2.gz XVULRPTVFSNPMD-UHFFFAOYSA-N -1 3 363.208 3.316 20 0 FGADHM CC(C)c1cc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)no1 ZINC000824343085 608121976 /nfs/dbraw/zinc/12/19/76/608121976.db2.gz VUAJEKTYNNDQMN-UHFFFAOYSA-N -1 3 358.427 3.171 20 0 FGADHM CC(C)c1cc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)no1 ZINC000824343085 608121977 /nfs/dbraw/zinc/12/19/77/608121977.db2.gz VUAJEKTYNNDQMN-UHFFFAOYSA-N -1 3 358.427 3.171 20 0 FGADHM Cc1cccc([C@@H]2CCN(C(=O)C=Cc3ccccc3-c3nnn[n-]3)C2)c1 ZINC000826297602 608129826 /nfs/dbraw/zinc/12/98/26/608129826.db2.gz MPZZQZSJGDHFHH-HJCTWCACSA-N -1 3 359.433 3.204 20 0 FGADHM Cc1cccc([C@@H]2CCN(C(=O)C=Cc3ccccc3-c3nn[n-]n3)C2)c1 ZINC000826297602 608129827 /nfs/dbraw/zinc/12/98/27/608129827.db2.gz MPZZQZSJGDHFHH-HJCTWCACSA-N -1 3 359.433 3.204 20 0 FGADHM COCCOc1ccc(-c2nnn[n-]2)cc1NC[C@H]1C[C@@H]1c1ccccc1 ZINC000826162203 608135620 /nfs/dbraw/zinc/13/56/20/608135620.db2.gz RWUIBABSNGOBBC-IAGOWNOFSA-N -1 3 365.437 3.108 20 0 FGADHM COCCOc1ccc(-c2nn[n-]n2)cc1NC[C@H]1C[C@@H]1c1ccccc1 ZINC000826162203 608135621 /nfs/dbraw/zinc/13/56/21/608135621.db2.gz RWUIBABSNGOBBC-IAGOWNOFSA-N -1 3 365.437 3.108 20 0 FGADHM COc1cccc(Br)c1OCc1cccc(-c2nnn[n-]2)c1 ZINC000826213685 608153895 /nfs/dbraw/zinc/15/38/95/608153895.db2.gz HJDANPOMIPUMIH-UHFFFAOYSA-N -1 3 361.199 3.217 20 0 FGADHM COc1cccc(Br)c1OCc1cccc(-c2nn[n-]n2)c1 ZINC000826213685 608153897 /nfs/dbraw/zinc/15/38/97/608153897.db2.gz HJDANPOMIPUMIH-UHFFFAOYSA-N -1 3 361.199 3.217 20 0 FGADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)C[C@@H](C)CC(C)C ZINC000825787328 608175329 /nfs/dbraw/zinc/17/53/29/608175329.db2.gz BZUJFXUPKPZJRN-LBPRGKRZSA-N -1 3 355.446 3.247 20 0 FGADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)C[C@@H](C)CC(C)C ZINC000825787328 608175330 /nfs/dbraw/zinc/17/53/30/608175330.db2.gz BZUJFXUPKPZJRN-LBPRGKRZSA-N -1 3 355.446 3.247 20 0 FGADHM COc1ccc(Cl)cc1C(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826208531 608182409 /nfs/dbraw/zinc/18/24/09/608182409.db2.gz OZJKZUIFRADMKG-SNVBAGLBSA-N -1 3 358.785 3.447 20 0 FGADHM COc1ccc(Cl)cc1C(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826208531 608182411 /nfs/dbraw/zinc/18/24/11/608182411.db2.gz OZJKZUIFRADMKG-SNVBAGLBSA-N -1 3 358.785 3.447 20 0 FGADHM Cc1ncc(C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c(C(C)C)n1 ZINC000826329586 608184586 /nfs/dbraw/zinc/18/45/86/608184586.db2.gz JTJUVJYSEOTWCL-NSHDSACASA-N -1 3 352.398 3.007 20 0 FGADHM Cc1ncc(C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c(C(C)C)n1 ZINC000826329586 608184588 /nfs/dbraw/zinc/18/45/88/608184588.db2.gz JTJUVJYSEOTWCL-NSHDSACASA-N -1 3 352.398 3.007 20 0 FGADHM c1ccc2c(c1)nc(N1CCC(Cc3cccnc3)CC1)cc2-c1nnn[n-]1 ZINC000826525789 608194898 /nfs/dbraw/zinc/19/48/98/608194898.db2.gz ZDSROOJKWMMKDU-UHFFFAOYSA-N -1 3 371.448 3.269 20 0 FGADHM c1ccc2c(c1)nc(N1CCC(Cc3cccnc3)CC1)cc2-c1nn[n-]n1 ZINC000826525789 608194899 /nfs/dbraw/zinc/19/48/99/608194899.db2.gz ZDSROOJKWMMKDU-UHFFFAOYSA-N -1 3 371.448 3.269 20 0 FGADHM O=C(OCc1ccccc1N1CCCCC1)c1sccc1-c1nnn[n-]1 ZINC000826467189 608200572 /nfs/dbraw/zinc/20/05/72/608200572.db2.gz KVBASCREXAFZAB-UHFFFAOYSA-N -1 3 369.450 3.276 20 0 FGADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)OCC1(Cc2ccc(Cl)cc2)CC1 ZINC000826358366 608200721 /nfs/dbraw/zinc/20/07/21/608200721.db2.gz QQOOMYKAQLWWGF-UHFFFAOYSA-N -1 3 371.828 3.038 20 0 FGADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)OCC1(Cc2ccc(Cl)cc2)CC1 ZINC000826358366 608200723 /nfs/dbraw/zinc/20/07/23/608200723.db2.gz QQOOMYKAQLWWGF-UHFFFAOYSA-N -1 3 371.828 3.038 20 0 FGADHM COC[C@@H](Nc1ccc2cc(-c3nnn[n-]3)ccc2n1)c1ccc(C)o1 ZINC000826152247 608231769 /nfs/dbraw/zinc/23/17/69/608231769.db2.gz UIENZWYONBNQNW-OAHLLOKOSA-N -1 3 350.382 3.116 20 0 FGADHM COC[C@@H](Nc1ccc2cc(-c3nn[n-]n3)ccc2n1)c1ccc(C)o1 ZINC000826152247 608231771 /nfs/dbraw/zinc/23/17/71/608231771.db2.gz UIENZWYONBNQNW-OAHLLOKOSA-N -1 3 350.382 3.116 20 0 FGADHM COC[C@H](Nc1ccc2cc(-c3nnn[n-]3)ccc2n1)c1ccc(C)o1 ZINC000826152246 608231776 /nfs/dbraw/zinc/23/17/76/608231776.db2.gz UIENZWYONBNQNW-HNNXBMFYSA-N -1 3 350.382 3.116 20 0 FGADHM COC[C@H](Nc1ccc2cc(-c3nn[n-]n3)ccc2n1)c1ccc(C)o1 ZINC000826152246 608231777 /nfs/dbraw/zinc/23/17/77/608231777.db2.gz UIENZWYONBNQNW-HNNXBMFYSA-N -1 3 350.382 3.116 20 0 FGADHM COCCC1(CNc2ccc3cc(-c4nnn[n-]4)ccc3n2)CCCC1 ZINC000826155083 608233215 /nfs/dbraw/zinc/23/32/15/608233215.db2.gz FYXCLDRQGWHCDQ-UHFFFAOYSA-N -1 3 352.442 3.424 20 0 FGADHM COCCC1(CNc2ccc3cc(-c4nn[n-]n4)ccc3n2)CCCC1 ZINC000826155083 608233217 /nfs/dbraw/zinc/23/32/17/608233217.db2.gz FYXCLDRQGWHCDQ-UHFFFAOYSA-N -1 3 352.442 3.424 20 0 FGADHM FC(F)(F)CSCCNc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000826367623 608237008 /nfs/dbraw/zinc/23/70/08/608237008.db2.gz HKGVXYTVENDHAE-UHFFFAOYSA-N -1 3 354.361 3.122 20 0 FGADHM FC(F)(F)CSCCNc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000826367623 608237010 /nfs/dbraw/zinc/23/70/10/608237010.db2.gz HKGVXYTVENDHAE-UHFFFAOYSA-N -1 3 354.361 3.122 20 0 FGADHM CC(C)[C@@H]1C[C@H](Nc2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)CCO1 ZINC000824213420 608242426 /nfs/dbraw/zinc/24/24/26/608242426.db2.gz BAZGVOSRRGAZGB-ABAIWWIYSA-N -1 3 374.395 3.309 20 0 FGADHM CC(C)[C@@H]1C[C@H](Nc2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)CCO1 ZINC000824213420 608242428 /nfs/dbraw/zinc/24/24/28/608242428.db2.gz BAZGVOSRRGAZGB-ABAIWWIYSA-N -1 3 374.395 3.309 20 0 FGADHM CC(C)(C)c1ccc2c(c1)CCCN2C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000824136667 608250666 /nfs/dbraw/zinc/25/06/66/608250666.db2.gz UPILYGCISUGVOB-UHFFFAOYSA-N -1 3 350.426 3.085 20 0 FGADHM CC(C)(C)c1ccc2c(c1)CCCN2C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000824136667 608250667 /nfs/dbraw/zinc/25/06/67/608250667.db2.gz UPILYGCISUGVOB-UHFFFAOYSA-N -1 3 350.426 3.085 20 0 FGADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)Cc1ccc(Oc2ccccc2)nn1 ZINC000825962285 608254089 /nfs/dbraw/zinc/25/40/89/608254089.db2.gz VZYCENHYVBVBDQ-UHFFFAOYSA-N -1 3 373.420 3.081 20 0 FGADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1F)[C@H](c1ccccc1)C1CC1 ZINC000826464735 608254772 /nfs/dbraw/zinc/25/47/72/608254772.db2.gz KCHIEFSHUFOOFL-QGZVFWFLSA-N -1 3 352.369 3.243 20 0 FGADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1F)[C@H](c1ccccc1)C1CC1 ZINC000826464735 608254773 /nfs/dbraw/zinc/25/47/73/608254773.db2.gz KCHIEFSHUFOOFL-QGZVFWFLSA-N -1 3 352.369 3.243 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1CSc1nc2ccccc2nc1C ZINC000826173628 608264375 /nfs/dbraw/zinc/26/43/75/608264375.db2.gz NCPDAPHKJXOLCT-UHFFFAOYSA-N -1 3 364.434 3.419 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1CSc1nc2ccccc2nc1C ZINC000826173628 608264377 /nfs/dbraw/zinc/26/43/77/608264377.db2.gz NCPDAPHKJXOLCT-UHFFFAOYSA-N -1 3 364.434 3.419 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)c(NCCOc2cccc(C(F)(F)F)c2)n1 ZINC000826276433 608275837 /nfs/dbraw/zinc/27/58/37/608275837.db2.gz GOEMCLOWHVHASX-UHFFFAOYSA-N -1 3 364.331 3.080 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)c(NCCOc2cccc(C(F)(F)F)c2)n1 ZINC000826276433 608275838 /nfs/dbraw/zinc/27/58/38/608275838.db2.gz GOEMCLOWHVHASX-UHFFFAOYSA-N -1 3 364.331 3.080 20 0 FGADHM c1ccc2nc(CCNc3nc4c(cc3-c3nnn[n-]3)CCCC4)ccc2c1 ZINC000826523930 608279725 /nfs/dbraw/zinc/27/97/25/608279725.db2.gz CHLBIEFUYTXRQI-UHFFFAOYSA-N -1 3 371.448 3.343 20 0 FGADHM c1ccc2nc(CCNc3nc4c(cc3-c3nn[n-]n3)CCCC4)ccc2c1 ZINC000826523930 608279727 /nfs/dbraw/zinc/27/97/27/608279727.db2.gz CHLBIEFUYTXRQI-UHFFFAOYSA-N -1 3 371.448 3.343 20 0 FGADHM Cn1c2cccc(Br)c2nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC000826354424 608288022 /nfs/dbraw/zinc/28/80/22/608288022.db2.gz CKLWCHNSIFECGW-UHFFFAOYSA-N -1 3 355.199 3.183 20 0 FGADHM Cn1c2cccc(Br)c2nc1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826354424 608288024 /nfs/dbraw/zinc/28/80/24/608288024.db2.gz CKLWCHNSIFECGW-UHFFFAOYSA-N -1 3 355.199 3.183 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)c(NC[C@@H](O)c2ccc(C(C)(C)C)cc2)n1 ZINC000826275487 608288747 /nfs/dbraw/zinc/28/87/47/608288747.db2.gz AWHMTIIKENDFNE-MRXNPFEDSA-N -1 3 352.442 3.013 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)c(NC[C@@H](O)c2ccc(C(C)(C)C)cc2)n1 ZINC000826275487 608288749 /nfs/dbraw/zinc/28/87/49/608288749.db2.gz AWHMTIIKENDFNE-MRXNPFEDSA-N -1 3 352.442 3.013 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)c(NCc2ccc(C(=O)OC(C)(C)C)cc2)n1 ZINC000826276668 608292581 /nfs/dbraw/zinc/29/25/81/608292581.db2.gz RAKDDQSXIKPOFP-UHFFFAOYSA-N -1 3 366.425 3.138 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)c(NCc2ccc(C(=O)OC(C)(C)C)cc2)n1 ZINC000826276668 608292584 /nfs/dbraw/zinc/29/25/84/608292584.db2.gz RAKDDQSXIKPOFP-UHFFFAOYSA-N -1 3 366.425 3.138 20 0 FGADHM Fc1ccc2c(c1)CCC[C@H]2Nc1nc2c(cc1-c1nnn[n-]1)CCC2 ZINC000826375890 608307034 /nfs/dbraw/zinc/30/70/34/608307034.db2.gz GBOTWUHELRNNDZ-QGZVFWFLSA-N -1 3 350.401 3.379 20 0 FGADHM Fc1ccc2c(c1)CCC[C@H]2Nc1nc2c(cc1-c1nn[n-]n1)CCC2 ZINC000826375890 608307036 /nfs/dbraw/zinc/30/70/36/608307036.db2.gz GBOTWUHELRNNDZ-QGZVFWFLSA-N -1 3 350.401 3.379 20 0 FGADHM C[C@H](NC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1)c1cccc(F)c1F ZINC000824489429 608314248 /nfs/dbraw/zinc/31/42/48/608314248.db2.gz KQEIJOCMMWCKQW-NSHDSACASA-N -1 3 372.379 3.048 20 0 FGADHM C[C@H](NC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1)c1cccc(F)c1F ZINC000824489429 608314250 /nfs/dbraw/zinc/31/42/50/608314250.db2.gz KQEIJOCMMWCKQW-NSHDSACASA-N -1 3 372.379 3.048 20 0 FGADHM Cc1nn(-c2ccccc2)c(CN2CCC[C@@H]3CCC[C@@H]32)c1-c1nnn[n-]1 ZINC000826332481 608315983 /nfs/dbraw/zinc/31/59/83/608315983.db2.gz VTQYJLFIJBOZEZ-RDJZCZTQSA-N -1 3 363.469 3.125 20 0 FGADHM COc1ccc([C@@H](OC(=O)c2ccc(-c3nnn[n-]3)cc2)C2CC2)c(C)c1 ZINC000826188918 608316678 /nfs/dbraw/zinc/31/66/78/608316678.db2.gz JTSDCVZOZQGHAF-SFHVURJKSA-N -1 3 364.405 3.492 20 0 FGADHM COc1ccc([C@@H](OC(=O)c2ccc(-c3nn[n-]n3)cc2)C2CC2)c(C)c1 ZINC000826188918 608316680 /nfs/dbraw/zinc/31/66/80/608316680.db2.gz JTSDCVZOZQGHAF-SFHVURJKSA-N -1 3 364.405 3.492 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1CNc1ccc2c(cnn2C(F)F)c1 ZINC000826170999 608321206 /nfs/dbraw/zinc/32/12/06/608321206.db2.gz YBQASTAMEAMOOG-UHFFFAOYSA-N -1 3 371.351 3.232 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1CNc1ccc2c(cnn2C(F)F)c1 ZINC000826170999 608321208 /nfs/dbraw/zinc/32/12/08/608321208.db2.gz YBQASTAMEAMOOG-UHFFFAOYSA-N -1 3 371.351 3.232 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1CSCc1nc2ccccc2[nH]1 ZINC000826173823 608323291 /nfs/dbraw/zinc/32/32/91/608323291.db2.gz WMWMCAGRYZVOQR-UHFFFAOYSA-N -1 3 352.423 3.185 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1CSCc1nc2ccccc2[nH]1 ZINC000826173823 608323293 /nfs/dbraw/zinc/32/32/93/608323293.db2.gz WMWMCAGRYZVOQR-UHFFFAOYSA-N -1 3 352.423 3.185 20 0 FGADHM Cc1[nH]ccc1C(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000826233695 608328273 /nfs/dbraw/zinc/32/82/73/608328273.db2.gz RYRJNFBUOGWYRM-UHFFFAOYSA-N -1 3 358.405 3.100 20 0 FGADHM Cc1[nH]ccc1C(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000826233695 608328275 /nfs/dbraw/zinc/32/82/75/608328275.db2.gz RYRJNFBUOGWYRM-UHFFFAOYSA-N -1 3 358.405 3.100 20 0 FGADHM CCN(C(=O)C[C@@H](C)c1ccncc1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825367908 608346452 /nfs/dbraw/zinc/34/64/52/608346452.db2.gz XHCWNPQCAIGHNT-GFCCVEGCSA-N -1 3 370.844 3.462 20 0 FGADHM CCN(C(=O)C[C@@H](C)c1ccncc1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825367908 608346453 /nfs/dbraw/zinc/34/64/53/608346453.db2.gz XHCWNPQCAIGHNT-GFCCVEGCSA-N -1 3 370.844 3.462 20 0 FGADHM CC1CC(NC(=O)NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)C1 ZINC000824891895 608353217 /nfs/dbraw/zinc/35/32/17/608353217.db2.gz CAWNNYRTZJQABB-UHFFFAOYSA-N -1 3 362.437 3.131 20 0 FGADHM CC1CC(NC(=O)NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)C1 ZINC000824891895 608353219 /nfs/dbraw/zinc/35/32/19/608353219.db2.gz CAWNNYRTZJQABB-UHFFFAOYSA-N -1 3 362.437 3.131 20 0 FGADHM CCCCN(C)C(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000825282183 608356672 /nfs/dbraw/zinc/35/66/72/608356672.db2.gz PTHGPSZDRBQASW-UHFFFAOYSA-N -1 3 364.453 3.475 20 0 FGADHM CCCCN(C)C(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000825282183 608356673 /nfs/dbraw/zinc/35/66/73/608356673.db2.gz PTHGPSZDRBQASW-UHFFFAOYSA-N -1 3 364.453 3.475 20 0 FGADHM CN(Cc1ccccn1)c1c(-c2nnn[n-]2)cnc2ccc(Cl)cc21 ZINC000825986059 608373816 /nfs/dbraw/zinc/37/38/16/608373816.db2.gz MPLFVLKFICAHMV-UHFFFAOYSA-N -1 3 351.801 3.100 20 0 FGADHM CN(Cc1ccccn1)c1c(-c2nn[n-]n2)cnc2ccc(Cl)cc21 ZINC000825986059 608373817 /nfs/dbraw/zinc/37/38/17/608373817.db2.gz MPLFVLKFICAHMV-UHFFFAOYSA-N -1 3 351.801 3.100 20 0 FGADHM Fc1ccc(N2CCC(c3c[nH]c4ncccc34)CC2)c(-c2nnn[n-]2)c1 ZINC000826375236 608375109 /nfs/dbraw/zinc/37/51/09/608375109.db2.gz DXSWEZJEKHLJGJ-UHFFFAOYSA-N -1 3 363.400 3.266 20 0 FGADHM Fc1ccc(N2CCC(c3c[nH]c4ncccc34)CC2)c(-c2nn[n-]n2)c1 ZINC000826375236 608375111 /nfs/dbraw/zinc/37/51/11/608375111.db2.gz DXSWEZJEKHLJGJ-UHFFFAOYSA-N -1 3 363.400 3.266 20 0 FGADHM Fc1ccc(Br)c(OCc2cccc(-c3nnn[n-]3)c2F)c1 ZINC000826373562 608399793 /nfs/dbraw/zinc/39/97/93/608399793.db2.gz QOOXBAPTYCDBKU-UHFFFAOYSA-N -1 3 367.153 3.486 20 0 FGADHM Fc1ccc(Br)c(OCc2cccc(-c3nn[n-]n3)c2F)c1 ZINC000826373562 608399794 /nfs/dbraw/zinc/39/97/94/608399794.db2.gz QOOXBAPTYCDBKU-UHFFFAOYSA-N -1 3 367.153 3.486 20 0 FGADHM C[C@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)c1c[nH]c2ncccc12 ZINC000824756076 608401485 /nfs/dbraw/zinc/40/14/85/608401485.db2.gz NQNJOPUAPOIIJA-JTQLQIEISA-N -1 3 350.407 3.107 20 0 FGADHM C[C@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)c1c[nH]c2ncccc12 ZINC000824756076 608401487 /nfs/dbraw/zinc/40/14/87/608401487.db2.gz NQNJOPUAPOIIJA-JTQLQIEISA-N -1 3 350.407 3.107 20 0 FGADHM Cc1cccn2cc(CNc3ccc(-c4nn[n-]n4)cc3C(F)(F)F)nc12 ZINC000826308070 608410452 /nfs/dbraw/zinc/41/04/52/608410452.db2.gz IHIMFECNELRBOW-UHFFFAOYSA-N -1 3 373.342 3.454 20 0 FGADHM c1[nH]c(CNc2nc3ccccc3o2)nc1-c1cccc(-c2nnn[n-]2)c1 ZINC000826512876 608411020 /nfs/dbraw/zinc/41/10/20/608411020.db2.gz RYPSCMNHOLXTBF-UHFFFAOYSA-N -1 3 358.365 3.010 20 0 FGADHM c1[nH]c(CNc2nc3ccccc3o2)nc1-c1cccc(-c2nn[n-]n2)c1 ZINC000826512876 608411021 /nfs/dbraw/zinc/41/10/21/608411021.db2.gz RYPSCMNHOLXTBF-UHFFFAOYSA-N -1 3 358.365 3.010 20 0 FGADHM CC[C@@H](C)C[C@H](C)NC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000825060189 608414488 /nfs/dbraw/zinc/41/44/88/608414488.db2.gz OFXFASKTAZODFF-CABCVRRESA-N -1 3 368.485 3.490 20 0 FGADHM CC[C@@H](C)C[C@H](C)NC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825060189 608414489 /nfs/dbraw/zinc/41/44/89/608414489.db2.gz OFXFASKTAZODFF-CABCVRRESA-N -1 3 368.485 3.490 20 0 FGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)C1(c2cccc(Cl)c2)CC1 ZINC000826465905 608443681 /nfs/dbraw/zinc/44/36/81/608443681.db2.gz IBYNZFZCPBPRJZ-UHFFFAOYSA-N -1 3 372.787 3.434 20 0 FGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)C1(c2cccc(Cl)c2)CC1 ZINC000826465905 608443684 /nfs/dbraw/zinc/44/36/84/608443684.db2.gz IBYNZFZCPBPRJZ-UHFFFAOYSA-N -1 3 372.787 3.434 20 0 FGADHM CCCCCn1cc(CNc2c(F)cc(-c3nnn[n-]3)cc2F)c(C)n1 ZINC000825282472 608444974 /nfs/dbraw/zinc/44/49/74/608444974.db2.gz TWBDQOTVMQULHZ-UHFFFAOYSA-N -1 3 361.400 3.452 20 0 FGADHM CCCCCn1cc(CNc2c(F)cc(-c3nn[n-]n3)cc2F)c(C)n1 ZINC000825282472 608444975 /nfs/dbraw/zinc/44/49/75/608444975.db2.gz TWBDQOTVMQULHZ-UHFFFAOYSA-N -1 3 361.400 3.452 20 0 FGADHM O=C(Cc1ccc(F)cc1Cl)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826423082 608453427 /nfs/dbraw/zinc/45/34/27/608453427.db2.gz XVPROPCQDCCJPM-UHFFFAOYSA-N -1 3 364.739 3.084 20 0 FGADHM O=C(Cc1ccc(F)cc1Cl)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826423082 608453429 /nfs/dbraw/zinc/45/34/29/608453429.db2.gz XVPROPCQDCCJPM-UHFFFAOYSA-N -1 3 364.739 3.084 20 0 FGADHM C[C@@H](N[C@H](C)c1cccc(-c2nn[n-]n2)c1)c1nnc(-c2cccs2)o1 ZINC000824530657 608491900 /nfs/dbraw/zinc/49/19/00/608491900.db2.gz MQLZTRPDXZYUJX-GHMZBOCLSA-N -1 3 367.438 3.390 20 0 FGADHM c1cc(-c2nnn[n-]2)cc(C2(NCc3noc(C4CCCCC4)n3)CC2)c1 ZINC000826513425 608533263 /nfs/dbraw/zinc/53/32/63/608533263.db2.gz KZYLCKWAANMEHN-UHFFFAOYSA-N -1 3 365.441 3.076 20 0 FGADHM c1cc(-c2nn[n-]n2)cc(C2(NCc3noc(C4CCCCC4)n3)CC2)c1 ZINC000826513425 608533264 /nfs/dbraw/zinc/53/32/64/608533264.db2.gz KZYLCKWAANMEHN-UHFFFAOYSA-N -1 3 365.441 3.076 20 0 FGADHM CCc1ccnc(C(=O)N(CC)c2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000825728540 608545546 /nfs/dbraw/zinc/54/55/46/608545546.db2.gz PBZNNTWLTUGHBU-UHFFFAOYSA-N -1 3 356.817 3.144 20 0 FGADHM CCc1ccnc(C(=O)N(CC)c2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000825728540 608545547 /nfs/dbraw/zinc/54/55/47/608545547.db2.gz PBZNNTWLTUGHBU-UHFFFAOYSA-N -1 3 356.817 3.144 20 0 FGADHM Fc1cccc(Cl)c1OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000826377548 608547164 /nfs/dbraw/zinc/54/71/64/608547164.db2.gz WOGRZZUARZWUTN-UHFFFAOYSA-N -1 3 372.747 3.288 20 0 FGADHM Fc1cccc(Cl)c1OCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000826377548 608547165 /nfs/dbraw/zinc/54/71/65/608547165.db2.gz WOGRZZUARZWUTN-UHFFFAOYSA-N -1 3 372.747 3.288 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)c1ccc(F)c(Cl)c1F ZINC000826174318 608573604 /nfs/dbraw/zinc/57/36/04/608573604.db2.gz ROFKTPYYDYEHSZ-UHFFFAOYSA-N -1 3 366.711 3.026 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)c1ccc(F)c(Cl)c1F ZINC000826174318 608573605 /nfs/dbraw/zinc/57/36/05/608573605.db2.gz ROFKTPYYDYEHSZ-UHFFFAOYSA-N -1 3 366.711 3.026 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H]1CCc2c1cccc2Cl ZINC000826185866 608584286 /nfs/dbraw/zinc/58/42/86/608584286.db2.gz WLXOOUBYRRPNQY-CYBMUJFWSA-N -1 3 369.812 3.197 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1CCc2c1cccc2Cl ZINC000826185866 608584288 /nfs/dbraw/zinc/58/42/88/608584288.db2.gz WLXOOUBYRRPNQY-CYBMUJFWSA-N -1 3 369.812 3.197 20 0 FGADHM O=C(Nc1cnc(-c2ccccc2)s1)c1cc(-c2nnn[n-]2)cs1 ZINC000826458887 608585432 /nfs/dbraw/zinc/58/54/32/608585432.db2.gz LGHAKWNHGWKSTN-UHFFFAOYSA-N -1 3 354.420 3.304 20 0 FGADHM O=C(Nc1cnc(-c2ccccc2)s1)c1cc(-c2nn[n-]n2)cs1 ZINC000826458887 608585433 /nfs/dbraw/zinc/58/54/33/608585433.db2.gz LGHAKWNHGWKSTN-UHFFFAOYSA-N -1 3 354.420 3.304 20 0 FGADHM Fc1c(CN2CCSC[C@H]2c2ccccc2)cccc1-c1nnn[n-]1 ZINC000826371169 608651911 /nfs/dbraw/zinc/65/19/11/608651911.db2.gz VRBZGOIMMORQSX-INIZCTEOSA-N -1 3 355.442 3.296 20 0 FGADHM Fc1c(CN2CCSC[C@H]2c2ccccc2)cccc1-c1nn[n-]n1 ZINC000826371169 608651912 /nfs/dbraw/zinc/65/19/12/608651912.db2.gz VRBZGOIMMORQSX-INIZCTEOSA-N -1 3 355.442 3.296 20 0 FGADHM CCc1ccc(NC(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000825712207 608764630 /nfs/dbraw/zinc/76/46/30/608764630.db2.gz NFMHFXLBHDNNFG-ZDUSSCGKSA-N -1 3 351.410 3.144 20 0 FGADHM COc1sc(CNc2ccc(-c3nn[n-]n3)cc2)cc1Br ZINC000826222502 608868820 /nfs/dbraw/zinc/86/88/20/608868820.db2.gz ZCSJDUAQMBHLOT-UHFFFAOYSA-N -1 3 366.244 3.311 20 0 FGADHM c1cc(NCc2ccc(OC[C@H]3CCCO3)cc2)cc(-c2nnn[n-]2)c1 ZINC000826517226 608869331 /nfs/dbraw/zinc/86/93/31/608869331.db2.gz VOPWDVFJJUIFAK-GOSISDBHSA-N -1 3 351.410 3.037 20 0 FGADHM c1cc(NCc2ccc(OC[C@H]3CCCO3)cc2)cc(-c2nn[n-]n2)c1 ZINC000826517226 608869335 /nfs/dbraw/zinc/86/93/35/608869335.db2.gz VOPWDVFJJUIFAK-GOSISDBHSA-N -1 3 351.410 3.037 20 0 FGADHM Clc1cc(-c2nnn[n-]2)ccc1SCc1ncn(-c2ccccc2)n1 ZINC000826350755 608886554 /nfs/dbraw/zinc/88/65/54/608886554.db2.gz JXAFTUCAMILQCA-UHFFFAOYSA-N -1 3 369.841 3.393 20 0 FGADHM Clc1cc(-c2nn[n-]n2)ccc1SCc1ncn(-c2ccccc2)n1 ZINC000826350755 608886556 /nfs/dbraw/zinc/88/65/56/608886556.db2.gz JXAFTUCAMILQCA-UHFFFAOYSA-N -1 3 369.841 3.393 20 0 FGADHM C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000824911061 609137418 /nfs/dbraw/zinc/13/74/18/609137418.db2.gz ZZFLHQPIXPZWPU-SXLAOSRYSA-N -1 3 365.359 3.069 20 0 FGADHM C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000824911061 609137420 /nfs/dbraw/zinc/13/74/20/609137420.db2.gz ZZFLHQPIXPZWPU-SXLAOSRYSA-N -1 3 365.359 3.069 20 0 FGADHM Cc1c(NC(=O)N2C[C@H](C(F)(F)F)CC[C@H]2C)cccc1-c1nnn[n-]1 ZINC000826241695 609159682 /nfs/dbraw/zinc/15/96/82/609159682.db2.gz LPJAYQKJUVMVME-MWLCHTKSSA-N -1 3 368.363 3.370 20 0 FGADHM Cc1c(NC(=O)N2C[C@H](C(F)(F)F)CC[C@H]2C)cccc1-c1nn[n-]n1 ZINC000826241695 609159684 /nfs/dbraw/zinc/15/96/84/609159684.db2.gz LPJAYQKJUVMVME-MWLCHTKSSA-N -1 3 368.363 3.370 20 0 FGADHM C[C@@H](Nc1cccc(N2CCCC2=O)c1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824662301 609162750 /nfs/dbraw/zinc/16/27/50/609162750.db2.gz IAIGNDJMFIDVMT-GFCCVEGCSA-N -1 3 366.400 3.306 20 0 FGADHM C[C@@H](Nc1cccc(N2CCCC2=O)c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824662301 609162752 /nfs/dbraw/zinc/16/27/52/609162752.db2.gz IAIGNDJMFIDVMT-GFCCVEGCSA-N -1 3 366.400 3.306 20 0 FGADHM CC(C)C[C@H]1C[C@H](Nc2cc(-c3nnn[n-]3)c3ccccc3n2)CCO1 ZINC000824243582 609171206 /nfs/dbraw/zinc/17/12/06/609171206.db2.gz JNIPCYTZGPOMAZ-KGLIPLIRSA-N -1 3 352.442 3.421 20 0 FGADHM CC(C)C[C@H]1C[C@H](Nc2cc(-c3nn[n-]n3)c3ccccc3n2)CCO1 ZINC000824243582 609171208 /nfs/dbraw/zinc/17/12/08/609171208.db2.gz JNIPCYTZGPOMAZ-KGLIPLIRSA-N -1 3 352.442 3.421 20 0 FGADHM C[C@H]1CN(Cc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)c2ccccc21 ZINC000824992292 609173688 /nfs/dbraw/zinc/17/36/88/609173688.db2.gz LRTHEZBWIZWRNV-AWEZNQCLSA-N -1 3 371.448 3.391 20 0 FGADHM C[C@H]1CN(Cc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)c2ccccc21 ZINC000824992292 609173689 /nfs/dbraw/zinc/17/36/89/609173689.db2.gz LRTHEZBWIZWRNV-AWEZNQCLSA-N -1 3 371.448 3.391 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)Cc1ccccc1SC ZINC000825620753 609180278 /nfs/dbraw/zinc/18/02/78/609180278.db2.gz HCSLSEXRQIUEMU-UHFFFAOYSA-N -1 3 369.450 3.169 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)Cc1ccccc1SC ZINC000825620753 609180280 /nfs/dbraw/zinc/18/02/80/609180280.db2.gz HCSLSEXRQIUEMU-UHFFFAOYSA-N -1 3 369.450 3.169 20 0 FGADHM C[C@@H](NCc1ccn(-c2ccccc2F)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824626673 609183673 /nfs/dbraw/zinc/18/36/73/609183673.db2.gz QVRLXADBCYZHCX-CYBMUJFWSA-N -1 3 363.400 3.042 20 0 FGADHM CC(C)c1ccc(CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C2CC2)cc1 ZINC000824347669 609190454 /nfs/dbraw/zinc/19/04/54/609190454.db2.gz JYMBPNPETNCFMH-UHFFFAOYSA-N -1 3 350.426 3.123 20 0 FGADHM CC(C)c1ccc(CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C2CC2)cc1 ZINC000824347669 609190455 /nfs/dbraw/zinc/19/04/55/609190455.db2.gz JYMBPNPETNCFMH-UHFFFAOYSA-N -1 3 350.426 3.123 20 0 FGADHM CC(C)(C)C[C@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC000824086093 609197065 /nfs/dbraw/zinc/19/70/65/609197065.db2.gz JSXDNXQSCKIHGS-HNNXBMFYSA-N -1 3 356.405 3.241 20 0 FGADHM CC(C)(C)C[C@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC000824086093 609197066 /nfs/dbraw/zinc/19/70/66/609197066.db2.gz JSXDNXQSCKIHGS-HNNXBMFYSA-N -1 3 356.405 3.241 20 0 FGADHM O=C(N[C@@H](CCc1ccccc1)c1ccccc1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826425974 609199716 /nfs/dbraw/zinc/19/97/16/609199716.db2.gz ATSHOKYGDREEPL-SFHVURJKSA-N -1 3 372.432 3.299 20 0 FGADHM O=C(N[C@@H](CCc1ccccc1)c1ccccc1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826425974 609199717 /nfs/dbraw/zinc/19/97/17/609199717.db2.gz ATSHOKYGDREEPL-SFHVURJKSA-N -1 3 372.432 3.299 20 0 FGADHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N1CCC[C@@H]1c1cccc2ccccc21 ZINC000826469727 609201361 /nfs/dbraw/zinc/20/13/61/609201361.db2.gz PDVWXEYCCJJGBZ-GOSISDBHSA-N -1 3 358.405 3.325 20 0 FGADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1CCC[C@@H]1c1cccc2ccccc21 ZINC000826469727 609201363 /nfs/dbraw/zinc/20/13/63/609201363.db2.gz PDVWXEYCCJJGBZ-GOSISDBHSA-N -1 3 358.405 3.325 20 0 FGADHM C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000824764218 609203025 /nfs/dbraw/zinc/20/30/25/609203025.db2.gz UNGLMYQCZWXTLX-MRVPVSSYSA-N -1 3 365.224 3.335 20 0 FGADHM C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000824764218 609203027 /nfs/dbraw/zinc/20/30/27/609203027.db2.gz UNGLMYQCZWXTLX-MRVPVSSYSA-N -1 3 365.224 3.335 20 0 FGADHM C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000824764544 609220772 /nfs/dbraw/zinc/22/07/72/609220772.db2.gz XEAVTPXFWLOHNB-MNOVXSKESA-N -1 3 358.833 3.112 20 0 FGADHM C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000824764544 609220773 /nfs/dbraw/zinc/22/07/73/609220773.db2.gz XEAVTPXFWLOHNB-MNOVXSKESA-N -1 3 358.833 3.112 20 0 FGADHM CC(C)c1ccc2c(c1)[C@H](NC(=O)c1c[nH]c(-c3nnn[n-]3)c1)CCC2 ZINC000824348095 609229133 /nfs/dbraw/zinc/22/91/33/609229133.db2.gz ZFBXQEGUMMXODN-MRXNPFEDSA-N -1 3 350.426 3.126 20 0 FGADHM CC(C)c1ccc2c(c1)[C@H](NC(=O)c1c[nH]c(-c3nn[n-]n3)c1)CCC2 ZINC000824348095 609229135 /nfs/dbraw/zinc/22/91/35/609229135.db2.gz ZFBXQEGUMMXODN-MRXNPFEDSA-N -1 3 350.426 3.126 20 0 FGADHM COCCOc1ccc(N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c(C)c1 ZINC000826162949 609237065 /nfs/dbraw/zinc/23/70/65/609237065.db2.gz ZQGSFXOHOKTUEF-CQSZACIVSA-N -1 3 353.426 3.373 20 0 FGADHM COCCOc1ccc(N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c(C)c1 ZINC000826162949 609237067 /nfs/dbraw/zinc/23/70/67/609237067.db2.gz ZQGSFXOHOKTUEF-CQSZACIVSA-N -1 3 353.426 3.373 20 0 FGADHM COc1ccc(N[C@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)cc1NC(C)=O ZINC000826210243 609237525 /nfs/dbraw/zinc/23/75/25/609237525.db2.gz JYPHLCQTMRTPSA-SNVBAGLBSA-N -1 3 370.388 3.146 20 0 FGADHM COc1ccc(N[C@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)cc1NC(C)=O ZINC000826210243 609237526 /nfs/dbraw/zinc/23/75/26/609237526.db2.gz JYPHLCQTMRTPSA-SNVBAGLBSA-N -1 3 370.388 3.146 20 0 FGADHM CC(C)[C@@H]1CCC[C@H]1Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1 ZINC000824213754 609241561 /nfs/dbraw/zinc/24/15/61/609241561.db2.gz CTSCDCGKGBWNQX-FUHWJXTLSA-N -1 3 370.501 3.064 20 0 FGADHM CC(C)[C@@H]1CCC[C@H]1Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1 ZINC000824213754 609241562 /nfs/dbraw/zinc/24/15/62/609241562.db2.gz CTSCDCGKGBWNQX-FUHWJXTLSA-N -1 3 370.501 3.064 20 0 FGADHM COCc1nc2cc(N[C@@H](C)c3cccc(-c4nnn[n-]4)c3)ccc2o1 ZINC000826165820 609243788 /nfs/dbraw/zinc/24/37/88/609243788.db2.gz LFQJPQSVCMCXCK-NSHDSACASA-N -1 3 350.382 3.327 20 0 FGADHM COCc1nc2cc(N[C@@H](C)c3cccc(-c4nn[n-]n4)c3)ccc2o1 ZINC000826165820 609243790 /nfs/dbraw/zinc/24/37/90/609243790.db2.gz LFQJPQSVCMCXCK-NSHDSACASA-N -1 3 350.382 3.327 20 0 FGADHM CSc1ccccc1CC(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826230922 609244020 /nfs/dbraw/zinc/24/40/20/609244020.db2.gz OWGRNYNXDOUTHK-UHFFFAOYSA-N -1 3 358.398 3.014 20 0 FGADHM CSc1ccccc1CC(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826230922 609244022 /nfs/dbraw/zinc/24/40/22/609244022.db2.gz OWGRNYNXDOUTHK-UHFFFAOYSA-N -1 3 358.398 3.014 20 0 FGADHM C[C@@H](OC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000824716286 609256170 /nfs/dbraw/zinc/25/61/70/609256170.db2.gz XPDVRCLBCHWGHP-RDTXWAMCSA-N -1 3 363.421 3.140 20 0 FGADHM COc1cc(C(=O)Nc2ccccc2-c2nnn[n-]2)cc(OC)c1C(C)C ZINC000826177532 609268795 /nfs/dbraw/zinc/26/87/95/609268795.db2.gz LWXHQNZYDSGOPP-UHFFFAOYSA-N -1 3 367.409 3.260 20 0 FGADHM COc1cc(C(=O)Nc2ccccc2-c2nn[n-]n2)cc(OC)c1C(C)C ZINC000826177532 609268797 /nfs/dbraw/zinc/26/87/97/609268797.db2.gz LWXHQNZYDSGOPP-UHFFFAOYSA-N -1 3 367.409 3.260 20 0 FGADHM C[C@H](Nc1ccccc1SCCC(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824662669 609277906 /nfs/dbraw/zinc/27/79/06/609277906.db2.gz PDCLYSBNMPYJBE-LBPRGKRZSA-N -1 3 368.466 3.007 20 0 FGADHM C[C@H](Nc1ccccc1SCCC(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824662669 609277908 /nfs/dbraw/zinc/27/79/08/609277908.db2.gz PDCLYSBNMPYJBE-LBPRGKRZSA-N -1 3 368.466 3.007 20 0 FGADHM CSc1ccccc1COC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000826231541 609292419 /nfs/dbraw/zinc/29/24/19/609292419.db2.gz PGBLXLCMNXEXEW-KHPPLWFESA-N -1 3 352.419 3.345 20 0 FGADHM CSc1ccccc1COC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000826231541 609292420 /nfs/dbraw/zinc/29/24/20/609292420.db2.gz PGBLXLCMNXEXEW-KHPPLWFESA-N -1 3 352.419 3.345 20 0 FGADHM O=C(CC1=CCCCC1)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000826403795 609292848 /nfs/dbraw/zinc/29/28/48/609292848.db2.gz CPMHWARMQXTWJB-UHFFFAOYSA-N -1 3 367.388 3.021 20 0 FGADHM CSc1ccccc1COC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000826231363 609294362 /nfs/dbraw/zinc/29/43/62/609294362.db2.gz IMOKOIMWWQEOIT-UHFFFAOYSA-N -1 3 372.475 3.424 20 0 FGADHM CSc1ccccc1COC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000826231363 609294364 /nfs/dbraw/zinc/29/43/64/609294364.db2.gz IMOKOIMWWQEOIT-UHFFFAOYSA-N -1 3 372.475 3.424 20 0 FGADHM O=C(c1ccc(Cl)c(-c2nnn[n-]2)c1)N(CC1CCC1)CC(F)(F)F ZINC000826472356 609302185 /nfs/dbraw/zinc/30/21/85/609302185.db2.gz IBRBUCRKHJWAAQ-UHFFFAOYSA-N -1 3 373.766 3.325 20 0 FGADHM O=C(c1ccc(Cl)c(-c2nn[n-]n2)c1)N(CC1CCC1)CC(F)(F)F ZINC000826472356 609302188 /nfs/dbraw/zinc/30/21/88/609302188.db2.gz IBRBUCRKHJWAAQ-UHFFFAOYSA-N -1 3 373.766 3.325 20 0 FGADHM Cc1nnc(SCc2csc(-c3ccco3)n2)c(-c2nnn[n-]2)c1C ZINC000826337143 609308942 /nfs/dbraw/zinc/30/89/42/609308942.db2.gz DFYBIQUBJOEJPO-UHFFFAOYSA-N -1 3 371.451 3.282 20 0 FGADHM Cc1nnc(SCc2csc(-c3ccco3)n2)c(-c2nn[n-]n2)c1C ZINC000826337143 609308944 /nfs/dbraw/zinc/30/89/44/609308944.db2.gz DFYBIQUBJOEJPO-UHFFFAOYSA-N -1 3 371.451 3.282 20 0 FGADHM CC(C)(C)OCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCCC2 ZINC000824119997 609313627 /nfs/dbraw/zinc/31/36/27/609313627.db2.gz WOOYVNQFKIRYGN-UHFFFAOYSA-N -1 3 363.487 3.341 20 0 FGADHM CC(C)(C)OCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCCC2 ZINC000824119997 609313628 /nfs/dbraw/zinc/31/36/28/609313628.db2.gz WOOYVNQFKIRYGN-UHFFFAOYSA-N -1 3 363.487 3.341 20 0 FGADHM Fc1cc(F)cc(CNc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)c1 ZINC000826372591 609320205 /nfs/dbraw/zinc/32/02/05/609320205.db2.gz DPOCNMMMPHBDKA-UHFFFAOYSA-N -1 3 371.326 3.082 20 0 FGADHM CCC(CC)[C@H]1C[C@@H](Nc2c(-c3nnn[n-]3)cnc3ccccc32)CCO1 ZINC000825106873 609322231 /nfs/dbraw/zinc/32/22/31/609322231.db2.gz KTHBOFUVLMTZKN-KBXCAEBGSA-N -1 3 366.469 3.233 20 0 FGADHM CCC(CC)[C@H]1C[C@@H](Nc2c(-c3nn[n-]n3)cnc3ccccc32)CCO1 ZINC000825106873 609322233 /nfs/dbraw/zinc/32/22/33/609322233.db2.gz KTHBOFUVLMTZKN-KBXCAEBGSA-N -1 3 366.469 3.233 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)c(N2CCC[C@H](c3ccc(F)cc3)CC2)n1 ZINC000826274012 609325945 /nfs/dbraw/zinc/32/59/45/609325945.db2.gz DIDXWNVAIUZDSO-AWEZNQCLSA-N -1 3 352.417 3.483 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)c(N2CCC[C@H](c3ccc(F)cc3)CC2)n1 ZINC000826274012 609325947 /nfs/dbraw/zinc/32/59/47/609325947.db2.gz DIDXWNVAIUZDSO-AWEZNQCLSA-N -1 3 352.417 3.483 20 0 FGADHM CN(C(=O)[C@@H](F)Cc1ccccc1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000825812989 609327646 /nfs/dbraw/zinc/32/76/46/609327646.db2.gz ZOZMEHCWLIUMFT-AWEZNQCLSA-N -1 3 359.792 3.064 20 0 FGADHM CN(C(=O)[C@@H](F)Cc1ccccc1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000825812989 609327649 /nfs/dbraw/zinc/32/76/49/609327649.db2.gz ZOZMEHCWLIUMFT-AWEZNQCLSA-N -1 3 359.792 3.064 20 0 FGADHM Clc1cc(CCOc2ccc(-c3nn[n-]n3)cc2)cc2c1OCCCO2 ZINC000826350745 609383585 /nfs/dbraw/zinc/38/35/85/609383585.db2.gz JHUUEGBUNYGYFU-UHFFFAOYSA-N -1 3 372.812 3.303 20 0 FGADHM CC(C)[C@H]1C[C@@H](CC(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000824716215 609392039 /nfs/dbraw/zinc/39/20/39/609392039.db2.gz WPZDMXSKNGJASG-GRDNDAEWSA-N -1 3 358.442 3.312 20 0 FGADHM CC(C)[C@H]1C[C@@H](CC(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000824716215 609392041 /nfs/dbraw/zinc/39/20/41/609392041.db2.gz WPZDMXSKNGJASG-GRDNDAEWSA-N -1 3 358.442 3.312 20 0 FGADHM O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826453797 609410048 /nfs/dbraw/zinc/41/00/48/609410048.db2.gz ZWYKPHIKYQUSDU-UHFFFAOYSA-N -1 3 356.695 3.119 20 0 FGADHM O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826453797 609410051 /nfs/dbraw/zinc/41/00/51/609410051.db2.gz ZWYKPHIKYQUSDU-UHFFFAOYSA-N -1 3 356.695 3.119 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1sccc1COC ZINC000825319107 609427413 /nfs/dbraw/zinc/42/74/13/609427413.db2.gz YEAIWSYNIFAGAO-UHFFFAOYSA-N -1 3 371.466 3.127 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1sccc1COC ZINC000825319107 609427416 /nfs/dbraw/zinc/42/74/16/609427416.db2.gz YEAIWSYNIFAGAO-UHFFFAOYSA-N -1 3 371.466 3.127 20 0 FGADHM COCc1ccsc1C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC000826165416 609444630 /nfs/dbraw/zinc/44/46/30/609444630.db2.gz UIDBZAXAPCMWPC-UHFFFAOYSA-N -1 3 373.438 3.114 20 0 FGADHM COCc1ccsc1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC000826165416 609444631 /nfs/dbraw/zinc/44/46/31/609444631.db2.gz UIDBZAXAPCMWPC-UHFFFAOYSA-N -1 3 373.438 3.114 20 0 FGADHM COC(=O)/C(C)=C/CSc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826099131 609450649 /nfs/dbraw/zinc/45/06/49/609450649.db2.gz ZDHCLNPUWVLEBY-VMPITWQZSA-N -1 3 358.345 3.097 20 0 FGADHM COC(=O)/C(C)=C/CSc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826099131 609450651 /nfs/dbraw/zinc/45/06/51/609450651.db2.gz ZDHCLNPUWVLEBY-VMPITWQZSA-N -1 3 358.345 3.097 20 0 FGADHM O=C(Nc1ccccc1SC(F)(F)F)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826457562 609453681 /nfs/dbraw/zinc/45/36/81/609453681.db2.gz GRVNIDWKHYGLCQ-UHFFFAOYSA-N -1 3 354.317 3.059 20 0 FGADHM O=C(Nc1ccccc1SC(F)(F)F)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826457562 609453683 /nfs/dbraw/zinc/45/36/83/609453683.db2.gz GRVNIDWKHYGLCQ-UHFFFAOYSA-N -1 3 354.317 3.059 20 0 FGADHM FC(F)(F)c1cc(SCCC2OCCCO2)ccc1-c1nnn[n-]1 ZINC000826368097 609453810 /nfs/dbraw/zinc/45/38/10/609453810.db2.gz BUKNXNKIYATDKW-UHFFFAOYSA-N -1 3 360.361 3.131 20 0 FGADHM FC(F)(F)c1cc(SCCC2OCCCO2)ccc1-c1nn[n-]n1 ZINC000826368097 609453812 /nfs/dbraw/zinc/45/38/12/609453812.db2.gz BUKNXNKIYATDKW-UHFFFAOYSA-N -1 3 360.361 3.131 20 0 FGADHM CC(C)[C@H](CNc1nc2ccccn2c1-c1nnn[n-]1)Nc1ccccc1 ZINC000824192882 609458458 /nfs/dbraw/zinc/45/84/58/609458458.db2.gz OBBRFAOPPVEJJI-HNNXBMFYSA-N -1 3 362.441 3.063 20 0 FGADHM CC(C)[C@H](CNc1nc2ccccn2c1-c1nn[n-]n1)Nc1ccccc1 ZINC000824192882 609458460 /nfs/dbraw/zinc/45/84/60/609458460.db2.gz OBBRFAOPPVEJJI-HNNXBMFYSA-N -1 3 362.441 3.063 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NCc1cc(-c2ccccc2)n[nH]1 ZINC000825627440 609476424 /nfs/dbraw/zinc/47/64/24/609476424.db2.gz ZOPCBVMVOULSKM-UHFFFAOYSA-N -1 3 361.409 3.268 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NCc1cc(-c2ccccc2)n[nH]1 ZINC000825627440 609476426 /nfs/dbraw/zinc/47/64/26/609476426.db2.gz ZOPCBVMVOULSKM-UHFFFAOYSA-N -1 3 361.409 3.268 20 0 FGADHM CCN(C(=O)C=Cc1cnccc1C)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825366552 609479856 /nfs/dbraw/zinc/47/98/56/609479856.db2.gz BUZHQAWQDHCYTK-FEAKQIBJSA-N -1 3 362.437 3.193 20 0 FGADHM CCN(C(=O)C=Cc1cnccc1C)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825366552 609479858 /nfs/dbraw/zinc/47/98/58/609479858.db2.gz BUZHQAWQDHCYTK-FEAKQIBJSA-N -1 3 362.437 3.193 20 0 FGADHM C[C@H]1CCC[C@@H]1C(=O)N(Cc1ccco1)c1ccccc1-c1nnn[n-]1 ZINC000824927038 609482531 /nfs/dbraw/zinc/48/25/31/609482531.db2.gz LRTDLTBUHIAORF-ZFWWWQNUSA-N -1 3 351.410 3.429 20 0 FGADHM C[C@H]1CCC[C@@H]1C(=O)N(Cc1ccco1)c1ccccc1-c1nn[n-]n1 ZINC000824927038 609482535 /nfs/dbraw/zinc/48/25/35/609482535.db2.gz LRTDLTBUHIAORF-ZFWWWQNUSA-N -1 3 351.410 3.429 20 0 FGADHM COc1ccc(CNc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)cc1OC ZINC000826204126 609491378 /nfs/dbraw/zinc/49/13/78/609491378.db2.gz YZEHUYUMBMYVLY-UHFFFAOYSA-N -1 3 369.425 3.283 20 0 FGADHM COc1ccc(CNc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)cc1OC ZINC000826204126 609491381 /nfs/dbraw/zinc/49/13/81/609491381.db2.gz YZEHUYUMBMYVLY-UHFFFAOYSA-N -1 3 369.425 3.283 20 0 FGADHM Cc1c(Cl)cnc(N2C[C@H](C)O[C@@H](c3ccccc3)C2)c1-c1nnn[n-]1 ZINC000826237365 609539907 /nfs/dbraw/zinc/53/99/07/609539907.db2.gz XDLMMJTYGJDOCB-XHDPSFHLSA-N -1 3 370.844 3.190 20 0 FGADHM Cc1c(Cl)cnc(N2C[C@H](C)O[C@@H](c3ccccc3)C2)c1-c1nn[n-]n1 ZINC000826237365 609539908 /nfs/dbraw/zinc/53/99/08/609539908.db2.gz XDLMMJTYGJDOCB-XHDPSFHLSA-N -1 3 370.844 3.190 20 0 FGADHM Cc1c(Cl)cnc(NC[C@@H]2CCc3ccccc3N2)c1-c1nnn[n-]1 ZINC000826239473 609547293 /nfs/dbraw/zinc/54/72/93/609547293.db2.gz IJJCXZMMSBDELZ-LBPRGKRZSA-N -1 3 355.833 3.062 20 0 FGADHM Cc1c(Cl)cnc(NC[C@@H]2CCc3ccccc3N2)c1-c1nn[n-]n1 ZINC000826239473 609547295 /nfs/dbraw/zinc/54/72/95/609547295.db2.gz IJJCXZMMSBDELZ-LBPRGKRZSA-N -1 3 355.833 3.062 20 0 FGADHM COCCSc1ccc([C@@H](C)Nc2nccc(C)c2-c2nnn[n-]2)cc1 ZINC000826163080 609548440 /nfs/dbraw/zinc/54/84/40/609548440.db2.gz FSAZTMJJJARHEV-CYBMUJFWSA-N -1 3 370.482 3.482 20 0 FGADHM COCCSc1ccc([C@@H](C)Nc2nccc(C)c2-c2nn[n-]n2)cc1 ZINC000826163080 609548442 /nfs/dbraw/zinc/54/84/42/609548442.db2.gz FSAZTMJJJARHEV-CYBMUJFWSA-N -1 3 370.482 3.482 20 0 FGADHM COc1ccccc1[C@@H]1CCN(c2ncc(Cl)c(C)c2-c2nnn[n-]2)C1 ZINC000826219204 609556299 /nfs/dbraw/zinc/55/62/99/609556299.db2.gz VRQPEZQNYNHHCF-GFCCVEGCSA-N -1 3 370.844 3.226 20 0 FGADHM COc1ccccc1[C@@H]1CCN(c2ncc(Cl)c(C)c2-c2nn[n-]n2)C1 ZINC000826219204 609556300 /nfs/dbraw/zinc/55/63/00/609556300.db2.gz VRQPEZQNYNHHCF-GFCCVEGCSA-N -1 3 370.844 3.226 20 0 FGADHM Cc1cc(Nc2cnccc2-c2nnn[n-]2)cnc1N1CCCC[C@H]1C ZINC000826271185 609563350 /nfs/dbraw/zinc/56/33/50/609563350.db2.gz HFLAGPKCBQGPQY-CYBMUJFWSA-N -1 3 350.430 3.088 20 0 FGADHM Cc1cc(Nc2cnccc2-c2nn[n-]n2)cnc1N1CCCC[C@H]1C ZINC000826271185 609563351 /nfs/dbraw/zinc/56/33/51/609563351.db2.gz HFLAGPKCBQGPQY-CYBMUJFWSA-N -1 3 350.430 3.088 20 0 FGADHM Cc1ccnc(Nc2cnn(Cc3ccc(Cl)cc3)c2)c1-c1nnn[n-]1 ZINC000826314829 609565110 /nfs/dbraw/zinc/56/51/10/609565110.db2.gz OHJHYWYDJDDLMN-UHFFFAOYSA-N -1 3 366.816 3.212 20 0 FGADHM Cc1ccnc(Nc2cnn(Cc3ccc(Cl)cc3)c2)c1-c1nn[n-]n1 ZINC000826314829 609565112 /nfs/dbraw/zinc/56/51/12/609565112.db2.gz OHJHYWYDJDDLMN-UHFFFAOYSA-N -1 3 366.816 3.212 20 0 FGADHM CCO[C@H]1C[C@H](N(C)c2ncc(Cl)c(C)c2-c2nnn[n-]2)C12CCC2 ZINC000825582388 609576230 /nfs/dbraw/zinc/57/62/30/609576230.db2.gz KKZRFRJNXGKGLC-STQMWFEESA-N -1 3 362.865 3.007 20 0 FGADHM CCO[C@H]1C[C@H](N(C)c2ncc(Cl)c(C)c2-c2nn[n-]n2)C12CCC2 ZINC000825582388 609576233 /nfs/dbraw/zinc/57/62/33/609576233.db2.gz KKZRFRJNXGKGLC-STQMWFEESA-N -1 3 362.865 3.007 20 0 FGADHM Cc1c(Cl)cnc(N2C[C@@H](C(F)(F)F)CC[C@H]2C)c1-c1nnn[n-]1 ZINC000826237268 609585856 /nfs/dbraw/zinc/58/58/56/609585856.db2.gz ULJHJIPHWOKZLQ-APPZFPTMSA-N -1 3 360.771 3.391 20 0 FGADHM Cc1c(Cl)cnc(N2C[C@@H](C(F)(F)F)CC[C@H]2C)c1-c1nn[n-]n1 ZINC000826237268 609585858 /nfs/dbraw/zinc/58/58/58/609585858.db2.gz ULJHJIPHWOKZLQ-APPZFPTMSA-N -1 3 360.771 3.391 20 0 FGADHM CC[C@@H]1C[C@@H](C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CCO1 ZINC000825184502 609589137 /nfs/dbraw/zinc/58/91/37/609589137.db2.gz VLSSTAWDAJKHOA-GXSJLCMTSA-N -1 3 369.347 3.029 20 0 FGADHM CC[C@@H]1C[C@@H](C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CCO1 ZINC000825184502 609589139 /nfs/dbraw/zinc/58/91/39/609589139.db2.gz VLSSTAWDAJKHOA-GXSJLCMTSA-N -1 3 369.347 3.029 20 0 FGADHM C[C@H]1CC[C@@H](C(F)(F)F)CN1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000824907728 609606502 /nfs/dbraw/zinc/60/65/02/609606502.db2.gz JRVHYLJDDXFYRU-GXSJLCMTSA-N -1 3 354.336 3.061 20 0 FGADHM C[C@H]1CC[C@@H](C(F)(F)F)CN1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000824907728 609606504 /nfs/dbraw/zinc/60/65/04/609606504.db2.gz JRVHYLJDDXFYRU-GXSJLCMTSA-N -1 3 354.336 3.061 20 0 FGADHM COc1cc(C)sc1C(=O)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826179049 609615754 /nfs/dbraw/zinc/61/57/54/609615754.db2.gz XATRHBBWXLUJRG-UHFFFAOYSA-N -1 3 364.814 3.256 20 0 FGADHM COc1cc(C)sc1C(=O)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826179049 609615755 /nfs/dbraw/zinc/61/57/55/609615755.db2.gz XATRHBBWXLUJRG-UHFFFAOYSA-N -1 3 364.814 3.256 20 0 FGADHM Cc1ccc(F)c(C(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)c1F ZINC000826288956 609616321 /nfs/dbraw/zinc/61/63/21/609616321.db2.gz DGTYWTJODJVPGI-UHFFFAOYSA-N -1 3 364.739 3.464 20 0 FGADHM Cc1ccc(F)c(C(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)c1F ZINC000826288956 609616322 /nfs/dbraw/zinc/61/63/22/609616322.db2.gz DGTYWTJODJVPGI-UHFFFAOYSA-N -1 3 364.739 3.464 20 0 FGADHM C[C@H](CC(=O)OCc1ccc(Cl)cc1-c1nnn[n-]1)c1ccncc1 ZINC000824393967 609618016 /nfs/dbraw/zinc/61/80/16/609618016.db2.gz VPAGOUHTXNBOIJ-LLVKDONJSA-N -1 3 357.801 3.152 20 0 FGADHM C[C@H](CC(=O)OCc1ccc(Cl)cc1-c1nn[n-]n1)c1ccncc1 ZINC000824393967 609618018 /nfs/dbraw/zinc/61/80/18/609618018.db2.gz VPAGOUHTXNBOIJ-LLVKDONJSA-N -1 3 357.801 3.152 20 0 FGADHM CCO[C@H](CC(=O)OCc1ccc(Cl)cc1-c1nnn[n-]1)C(C)C ZINC000825577239 609618492 /nfs/dbraw/zinc/61/84/92/609618492.db2.gz UIEZJLIMMSSZTR-CQSZACIVSA-N -1 3 352.822 3.015 20 0 FGADHM CCO[C@H](CC(=O)OCc1ccc(Cl)cc1-c1nn[n-]n1)C(C)C ZINC000825577239 609618494 /nfs/dbraw/zinc/61/84/94/609618494.db2.gz UIEZJLIMMSSZTR-CQSZACIVSA-N -1 3 352.822 3.015 20 0 FGADHM Cc1cc(C)n([C@H](C)CC(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000826265179 609618582 /nfs/dbraw/zinc/61/85/82/609618582.db2.gz ORCWFBLCVWBDOI-GFCCVEGCSA-N -1 3 374.832 3.028 20 0 FGADHM Cc1cc(C)n([C@H](C)CC(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000826265179 609618583 /nfs/dbraw/zinc/61/85/83/609618583.db2.gz ORCWFBLCVWBDOI-GFCCVEGCSA-N -1 3 374.832 3.028 20 0 FGADHM CC(C)c1cccc(C(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000824347830 609619668 /nfs/dbraw/zinc/61/96/68/609619668.db2.gz PBHMRJWCHSVDIO-UHFFFAOYSA-N -1 3 357.801 3.396 20 0 FGADHM CC(C)c1cccc(C(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000824347830 609619669 /nfs/dbraw/zinc/61/96/69/609619669.db2.gz PBHMRJWCHSVDIO-UHFFFAOYSA-N -1 3 357.801 3.396 20 0 FGADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3ccc(C=O)cc3)nc(=O)c2c1C ZINC000005355148 695547798 /nfs/dbraw/zinc/54/77/98/695547798.db2.gz XMUSMUFVQXVEJX-SNVBAGLBSA-N -1 3 356.403 3.332 20 0 FGADHM Cc1n[n-]c(C)c1S(=O)(=O)Oc1ccc(Cl)cc1Br ZINC000010494550 695590953 /nfs/dbraw/zinc/59/09/53/695590953.db2.gz BSZVKCZTKYEROG-UHFFFAOYSA-N -1 3 365.636 3.210 20 0 FGADHM C[C@H](OC(=O)c1cc(Cl)c(Cl)[n-]1)C(=O)NC(=O)Nc1ccccc1 ZINC000011810783 695602947 /nfs/dbraw/zinc/60/29/47/695602947.db2.gz IMDJIUZWDUYSCU-QMMMGPOBSA-N -1 3 370.192 3.215 20 0 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CC(C)Oc1ccccc1COC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000050651406 695904930 /nfs/dbraw/zinc/90/49/30/695904930.db2.gz DKBSKGAZHAZSKF-UHFFFAOYSA-N -1 3 363.435 3.202 20 0 FGADHM COc1ccc(-c2csc([N-]C(=O)c3cccc[n+]3[O-])n2)cc1Cl ZINC000076949245 700244204 /nfs/dbraw/zinc/24/42/04/700244204.db2.gz VORCXKNCUSNRTR-UHFFFAOYSA-N -1 3 361.810 3.358 20 0 FGADHM C[C@H](C[N-]S(=O)(=O)c1ccc(Cl)nc1Cl)Oc1ccccc1 ZINC000112625058 700561617 /nfs/dbraw/zinc/56/16/17/700561617.db2.gz LPSBUYXMNUZLAY-SNVBAGLBSA-N -1 3 361.250 3.134 20 0 FGADHM CN(C)[C@@H](CNC(=O)c1ccc2[n-]c(=S)oc2c1)Cc1ccccc1 ZINC000118756388 700614330 /nfs/dbraw/zinc/61/43/30/700614330.db2.gz CZKXHSRYWXARDS-OAHLLOKOSA-N -1 3 355.463 3.019 20 0 FGADHM CC(C)(C(=O)Nc1ccc(Cc2nnn[n-]2)cc1)c1ccccc1Cl ZINC000120656385 700658230 /nfs/dbraw/zinc/65/82/30/700658230.db2.gz PZTBDOZGLOCBRY-UHFFFAOYSA-N -1 3 355.829 3.360 20 0 FGADHM CC(C)(C(=O)Nc1ccc(Cc2nn[n-]n2)cc1)c1ccccc1Cl ZINC000120656385 700658232 /nfs/dbraw/zinc/65/82/32/700658232.db2.gz 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Cc1csc(C2([N-]S(=O)(=O)c3sc(C)nc3C)CCCC2)n1 ZINC000176918008 705596927 /nfs/dbraw/zinc/59/69/27/705596927.db2.gz QWNSKDWSMGRVHQ-UHFFFAOYSA-N -1 3 357.526 3.273 20 0 FGADHM O=S(=O)([N-]Cc1ccc(Cl)cn1)c1ccc(F)cc1C(F)(F)F ZINC000180604213 705749635 /nfs/dbraw/zinc/74/96/35/705749635.db2.gz QAEHEDDPNNBCAF-UHFFFAOYSA-N -1 3 368.739 3.371 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)c(C)c2)ccc1F ZINC000181185039 705776626 /nfs/dbraw/zinc/77/66/26/705776626.db2.gz FAOBAWLZHIYNNN-UHFFFAOYSA-N -1 3 364.442 3.080 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2Cl)cnc1Cl ZINC000182018893 705822456 /nfs/dbraw/zinc/82/24/56/705822456.db2.gz MFASDLOKNKVSNO-UHFFFAOYSA-N -1 3 362.194 3.406 20 0 FGADHM CCc1nn(C)c(Cl)c1C(=O)[N-]c1nc(-c2cccs2)ns1 ZINC000182120449 705826463 /nfs/dbraw/zinc/82/64/63/705826463.db2.gz JUCSHUCURBETDJ-UHFFFAOYSA-N -1 3 353.860 3.468 20 0 FGADHM Cc1ccc(C(=O)NNc2c(F)cc(F)cc2Br)c([O-])c1O ZINC000182510275 705846847 /nfs/dbraw/zinc/84/68/47/705846847.db2.gz REMSHWRWGTYNHH-UHFFFAOYSA-N -1 3 373.153 3.204 20 0 FGADHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cccc(Cl)n2)cc1Cl ZINC000182777832 705861215 /nfs/dbraw/zinc/86/12/15/705861215.db2.gz UWGBAEPHQQSHAR-SNVBAGLBSA-N -1 3 364.188 3.358 20 0 FGADHM Cc1nn(C(C)(C)C)cc1C(=O)N[N-]C(=O)c1ccc(Cl)cc1Cl ZINC000183970437 705912357 /nfs/dbraw/zinc/91/23/57/705912357.db2.gz WBMCEFKVLSOJEW-UHFFFAOYSA-N -1 3 369.252 3.328 20 0 FGADHM CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1C(=O)[N-]OCc1ccc(F)cc1 ZINC000184187834 705922049 /nfs/dbraw/zinc/92/20/49/705922049.db2.gz KWZGYWOLTCLIPR-GJZGRUSLSA-N -1 3 352.406 3.067 20 0 FGADHM Cc1cc(Cl)c(S(=O)(=O)[N-]c2ccc(O)cc2F)cc1[N+](=O)[O-] ZINC000184616229 712673599 /nfs/dbraw/zinc/67/35/99/712673599.db2.gz NCMAODGFWQYKKM-UHFFFAOYSA-N -1 3 360.750 3.202 20 0 FGADHM Cc1ccc(SC[C@H](C)NC(=O)NN=c2cncc(Cl)[n-]2)cc1 ZINC000185931364 712705153 /nfs/dbraw/zinc/70/51/53/712705153.db2.gz ILJJLBGBRPBNKN-NSHDSACASA-N -1 3 351.863 3.245 20 0 FGADHM O=C(Cn1c2ccccc2nc1SC(F)F)Nc1ncccc1[O-] ZINC000191595617 712839665 /nfs/dbraw/zinc/83/96/65/712839665.db2.gz HNYYSPZSADGMSH-UHFFFAOYSA-N -1 3 350.350 3.090 20 0 FGADHM CCOC(=O)c1ccc(NC(=O)c2ncc(Br)s2)c([O-])c1 ZINC000192440335 712862526 /nfs/dbraw/zinc/86/25/26/712862526.db2.gz GHECQWKMTGWXSL-UHFFFAOYSA-N -1 3 371.212 3.040 20 0 FGADHM CN(CCc1ccc(Br)cc1)C(=O)c1cccc(O)c1[O-] ZINC000193040286 712880892 /nfs/dbraw/zinc/88/08/92/712880892.db2.gz NXSGXHVXFRDCSX-UHFFFAOYSA-N -1 3 350.212 3.175 20 0 FGADHM Cc1nc2ccccc2c(=O)n1N=Cc1cc(Br)ccc1[O-] ZINC000254494086 713675962 /nfs/dbraw/zinc/67/59/62/713675962.db2.gz WLZVVUFUUOLBFU-UHFFFAOYSA-N -1 3 358.195 3.055 20 0 FGADHM CCn1cc([N-]S(=O)(=O)/C=C\c2ccc(Br)cc2)cn1 ZINC000255445494 713696455 /nfs/dbraw/zinc/69/64/55/713696455.db2.gz AWRZTMVAGBNPJQ-FPLPWBNLSA-N -1 3 356.245 3.078 20 0 FGADHM CC(C)c1ccc(C(=O)N2CCS(=O)(=O)C3(CCCCC3)C2)c([O-])c1 ZINC000333329498 713840648 /nfs/dbraw/zinc/84/06/48/713840648.db2.gz YKDMEJYSUWKGBC-UHFFFAOYSA-N -1 3 365.495 3.089 20 0 FGADHM O=C(c1c[n-]c2ccc(Br)cc2c1=O)N1CC[C@H]2CCC[C@H]21 ZINC000333322212 713840704 /nfs/dbraw/zinc/84/07/04/713840704.db2.gz LJFMAUSJFPEKJV-MEBBXXQBSA-N -1 3 361.239 3.305 20 0 FGADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCO[C@@H](c2ccc(Cl)s2)C1 ZINC000374081800 713898761 /nfs/dbraw/zinc/89/87/61/713898761.db2.gz SLEJAYMUWXSEDL-OAHLLOKOSA-N -1 3 374.849 3.457 20 0 FGADHM O=S(=O)([N-]Cc1ccsc1Br)c1cccnc1Cl ZINC000388499561 713987200 /nfs/dbraw/zinc/98/72/00/713987200.db2.gz GLWWDBJJEPRKOQ-UHFFFAOYSA-N -1 3 367.677 3.038 20 0 FGADHM COc1cc(CN(C)C(=O)c2cc3c(cc2[O-])OCO3)ccc1SC ZINC000436533188 714026406 /nfs/dbraw/zinc/02/64/06/714026406.db2.gz MJNCYWPROYNBJY-UHFFFAOYSA-N -1 3 361.419 3.124 20 0 FGADHM CC(C)Oc1c(F)cc(NC(=O)c2cc3c(cc2[O-])OCO3)cc1F ZINC000436831661 714027170 /nfs/dbraw/zinc/02/71/70/714027170.db2.gz YFUVHLQEEPIYBI-UHFFFAOYSA-N -1 3 351.305 3.439 20 0 FGADHM O=C(NCCc1ccccc1C(F)(F)F)c1cc2c(cc1[O-])OCO2 ZINC000436676059 714027222 /nfs/dbraw/zinc/02/72/22/714027222.db2.gz 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O=C(NCc1cscc1Cl)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000899243791 742897744 /nfs/dbraw/zinc/89/77/44/742897744.db2.gz MRQJNSNAULCVTA-AWEZNQCLSA-N -1 3 364.854 3.028 20 0 FGADHM Cc1sc(CCNCc2cc(F)ccc2Br)nc1C(=O)[O-] ZINC000900060067 743054112 /nfs/dbraw/zinc/05/41/12/743054112.db2.gz YJGKNRBNBVTUMW-UHFFFAOYSA-N -1 3 373.247 3.384 20 0 FGADHM Cc1ccnc(CNC[C@](C)(C(=O)[O-])c2ccccc2)c1Br ZINC000901534321 743299988 /nfs/dbraw/zinc/29/99/88/743299988.db2.gz CZKDIUKKIPEPCZ-KRWDZBQOSA-N -1 3 363.255 3.285 20 0 FGADHM C[C@H]1CCC[C@@H](OCc2cccc([N-]S(=O)(=O)N=S(C)(C)=O)c2)C1 ZINC000901615191 743602360 /nfs/dbraw/zinc/60/23/60/743602360.db2.gz SDSOZKBPWIDNLL-XJKSGUPXSA-N -1 3 374.528 3.166 20 0 FGADHM O=C([O-])C1=CC[C@@H](NCc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000901734096 743628884 /nfs/dbraw/zinc/62/88/84/743628884.db2.gz VPMAKYLVRKZXSD-CYBMUJFWSA-N -1 3 362.227 3.102 20 0 FGADHM O=C([O-])[C@@H](CC1CCOCC1)NCc1csc(-c2ccc(F)cc2)n1 ZINC000901775796 743637775 /nfs/dbraw/zinc/63/77/75/743637775.db2.gz XBIBOAGOGYEPHZ-MRXNPFEDSA-N -1 3 364.442 3.309 20 0 FGADHM O=C([O-])[C@@H]1CN(Cc2ccc(Br)o2)C[C@H]1c1ccccc1 ZINC000901890699 743668189 /nfs/dbraw/zinc/66/81/89/743668189.db2.gz NHDFPCKPVSBYLC-UONOGXRCSA-N -1 3 350.212 3.342 20 0 FGADHM COc1cc(Cl)c([N-]S(=O)(=O)c2ccnn2C2CCC2)cc1C ZINC000901928645 743680065 /nfs/dbraw/zinc/68/00/65/743680065.db2.gz MZEGBIJNXQQJCM-UHFFFAOYSA-N -1 3 355.847 3.379 20 0 FGADHM COc1sc(CN2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)[O-])cc1Br ZINC000902005549 743696560 /nfs/dbraw/zinc/69/65/60/743696560.db2.gz BQIBOILVWXLDHV-MKPLZMMCSA-N -1 3 360.273 3.204 20 0 FGADHM O=C([O-])C[C@H]1CCCN1Cc1cc(OC(F)F)ccc1Br ZINC000902007727 743697474 /nfs/dbraw/zinc/69/74/74/743697474.db2.gz PNFDIOQYIUNGDC-SNVBAGLBSA-N -1 3 364.186 3.490 20 0 FGADHM C[C@H](Oc1ccc(CNCc2ccc(OC(F)F)cc2)cc1)C(=O)[O-] ZINC000902072810 743705379 /nfs/dbraw/zinc/70/53/79/743705379.db2.gz HKYHORMXHBZBPI-LBPRGKRZSA-N -1 3 351.349 3.430 20 0 FGADHM O=C([O-])c1sccc1CN1CC[C@@H](c2nccc(C(F)(F)F)n2)C1 ZINC000903945529 743903694 /nfs/dbraw/zinc/90/36/94/743903694.db2.gz VKXZSPVQFFBYQR-SNVBAGLBSA-N -1 3 357.357 3.245 20 0 FGADHM CC(C)CCC[C@@H](NCc1cn(-c2ccc(F)cc2Cl)nn1)C(=O)[O-] ZINC000904035538 743917349 /nfs/dbraw/zinc/91/73/49/743917349.db2.gz FNMICAYYWPOLCU-OAHLLOKOSA-N -1 3 368.840 3.429 20 0 FGADHM CSC[C@H](NCc1cc(C(F)(F)F)ccc1Br)C(=O)[O-] ZINC000904039808 743917742 /nfs/dbraw/zinc/91/77/42/743917742.db2.gz CWTRKLJEVUVMBX-JTQLQIEISA-N -1 3 372.206 3.374 20 0 FGADHM CSC[C@@H](NCc1c(C)nn(-c2cc(C)ccc2C)c1Cl)C(=O)[O-] ZINC000904040595 743918159 /nfs/dbraw/zinc/91/81/59/743918159.db2.gz RGLJOEKAMZEWQM-CQSZACIVSA-N -1 3 367.902 3.357 20 0 FGADHM COc1ccc(CN[C@@H](CC(=O)[O-])c2ccc3c(c2)OCO3)cc1Cl ZINC000904045508 743918858 /nfs/dbraw/zinc/91/88/58/743918858.db2.gz PQKSMOPTTSNAPM-AWEZNQCLSA-N -1 3 363.797 3.383 20 0 FGADHM COC1([C@@H](NCc2cccc(Cl)c2Br)C(=O)[O-])CCC1 ZINC000904051452 743920099 /nfs/dbraw/zinc/92/00/99/743920099.db2.gz VLDWRYDULWWMON-LBPRGKRZSA-N -1 3 362.651 3.214 20 0 FGADHM COc1cc(F)c([C@H](C)N[C@@H]2C[C@H](NC(=O)[O-])C23CCC3)cc1OC ZINC000904218519 743940198 /nfs/dbraw/zinc/94/01/98/743940198.db2.gz LLAHWEGFJPLVOG-JQAFLVLXSA-N -1 3 352.406 3.072 20 0 FGADHM COC[C@@H](CC(C)(C)C)NCc1ccc(N2CCC(C(=O)[O-])CC2)o1 ZINC000904251181 743942226 /nfs/dbraw/zinc/94/22/26/743942226.db2.gz IAUQPRGDJWOBSG-OAHLLOKOSA-N -1 3 352.475 3.121 20 0 FGADHM CC[C@]1(C(=O)[O-])CCCN(Cc2ccccc2I)C1 ZINC000904400207 743952284 /nfs/dbraw/zinc/95/22/84/743952284.db2.gz GPBMNOFWRNUCOB-HNNXBMFYSA-N -1 3 373.234 3.368 20 0 FGADHM O=S(=O)(N=S1(=O)CCCC1)[N-]c1ccc([C@H](F)C(F)(F)F)cc1 ZINC000905107856 743993638 /nfs/dbraw/zinc/99/36/38/743993638.db2.gz JMPKZMDJUVJCBM-NSHDSACASA-N -1 3 374.381 3.178 20 0 FGADHM O=C([O-])[C@H](NC[C@@H]1CC[C@H](C2CC2)O1)c1ccccc1Br ZINC000905394865 744018436 /nfs/dbraw/zinc/01/84/36/744018436.db2.gz KHASYYZOKOTNLN-NILFDRSVSA-N -1 3 354.244 3.122 20 0 FGADHM CC(C)C[C@H](C)n1nccc1[N-]S(=O)(=O)N=[S@](C)(=O)C(C)(C)C ZINC000906060109 744086867 /nfs/dbraw/zinc/08/68/67/744086867.db2.gz YQEGPRCSONCZTP-AMXDTQDGSA-N -1 3 364.537 3.043 20 0 FGADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@@H]1C[C@H](C)Cc2c[nH]nc21 ZINC000908525829 744296099 /nfs/dbraw/zinc/29/60/99/744296099.db2.gz GMZORDUWMDGFFO-LDYMZIIASA-N -1 3 364.243 3.491 20 0 FGADHM CC[C@@](NC(=O)[C@H]1CCCN1C(C)C)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000909607627 744379408 /nfs/dbraw/zinc/37/94/08/744379408.db2.gz LRNUIXNFWFNBBZ-QAPCUYQASA-N -1 3 352.862 3.019 20 0 FGADHM CC[C@@](NC(=O)[C@@H](C)N1CCCCCC1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000909610318 744379883 /nfs/dbraw/zinc/37/98/83/744379883.db2.gz ZRNVHSIDQRUNET-KUHUBIRLSA-N -1 3 366.889 3.411 20 0 FGADHM CCc1cc(NC(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)nn1C ZINC000911202225 757130375 /nfs/dbraw/zinc/13/03/75/757130375.db2.gz BHFSJVHQPUMQPS-UHFFFAOYSA-N -1 3 351.432 3.038 20 0 FGADHM CC(C)(C)OC(=O)c1cc(NC(=O)CCSCc2ccccn2)[n-]n1 ZINC000911571250 757186096 /nfs/dbraw/zinc/18/60/96/757186096.db2.gz AJWAJWYDIGXFIN-UHFFFAOYSA-N -1 3 362.455 3.022 20 0 FGADHM CC(C)(C)OC(=O)c1cc(NC(=O)CCSCc2ccccn2)n[n-]1 ZINC000911571250 757186103 /nfs/dbraw/zinc/18/61/03/757186103.db2.gz AJWAJWYDIGXFIN-UHFFFAOYSA-N -1 3 362.455 3.022 20 0 FGADHM CC(C)(Cc1cccc(Cl)c1)C(=O)NCc1cc(=O)[n-]c(=S)[nH]1 ZINC000911853602 757222923 /nfs/dbraw/zinc/22/29/23/757222923.db2.gz CCDTZEJGFGXFGO-UHFFFAOYSA-N -1 3 351.859 3.009 20 0 FGADHM Cc1c(Br)cccc1CNC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000912046462 757256453 /nfs/dbraw/zinc/25/64/53/757256453.db2.gz FFELUIWQMVHAFT-UHFFFAOYSA-N -1 3 362.227 3.061 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)CC1(F)CCC1)c1nc(C(F)(F)F)cs1 ZINC000914211174 757719943 /nfs/dbraw/zinc/71/99/43/757719943.db2.gz QLDPHIFBKJYVAQ-QMMMGPOBSA-N -1 3 360.398 3.425 20 0 FGADHM O=S(=O)([N-][C@H]1CCO[C@@H](C2CC2)C1)c1cnc(-c2ccccc2)s1 ZINC000914374591 757765133 /nfs/dbraw/zinc/76/51/33/757765133.db2.gz HXYPZOKCSIDFAK-LSDHHAIUSA-N -1 3 364.492 3.046 20 0 FGADHM O=C([N-]N1C(=O)c2ccccc2C1=O)c1ccccc1SC(F)(F)F ZINC000914710045 757827862 /nfs/dbraw/zinc/82/78/62/757827862.db2.gz GHLORNJJMMYXDO-UHFFFAOYSA-N -1 3 366.320 3.240 20 0 FGADHM Cc1cc(C)c(/C=C\C(=O)OCC(=O)[N-]C(=O)c2cccs2)cc1C ZINC000915490393 757940115 /nfs/dbraw/zinc/94/01/15/757940115.db2.gz TXOXCNASQGWPAX-SREVYHEPSA-N -1 3 357.431 3.186 20 0 FGADHM Cc1csc(C)c1S(=O)(=O)[N-][C@@H](c1nccs1)C(F)(F)F ZINC000915898401 757999269 /nfs/dbraw/zinc/99/92/69/757999269.db2.gz FTKAFHBPYKGQDU-VIFPVBQESA-N -1 3 356.416 3.403 20 0 FGADHM C[C@@H](O)[C@@H](C)Sc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[n-]1 ZINC000916562566 758097778 /nfs/dbraw/zinc/09/77/78/758097778.db2.gz KKTMVEMHVLPSGY-RKDXNWHRSA-N -1 3 350.831 3.036 20 0 FGADHM C[C@@H](Sc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[n-]1)[C@H](C)O ZINC000916562563 758097989 /nfs/dbraw/zinc/09/79/89/758097989.db2.gz KKTMVEMHVLPSGY-DTWKUNHWSA-N -1 3 350.831 3.036 20 0 FGADHM CC[C@H]1CCc2nc(NC=C3C(=O)[N-]C(=O)c4ccccc43)sc2C1 ZINC000917602916 758247554 /nfs/dbraw/zinc/24/75/54/758247554.db2.gz MLDPHQWRCISHSI-HKLRHMNMSA-N -1 3 353.447 3.381 20 0 FGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)/C=C\c2cccs2)cc1OC ZINC000918660286 758350869 /nfs/dbraw/zinc/35/08/69/758350869.db2.gz DMAORZSNEUPJKF-CLFYSBASSA-N -1 3 366.464 3.170 20 0 FGADHM O=C(COC(=O)c1cc2ccsc2[n-]1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000918939685 758384747 /nfs/dbraw/zinc/38/47/47/758384747.db2.gz KDKNIOJWGRNVAK-SNVBAGLBSA-N -1 3 360.357 3.187 20 0 FGADHM O=S(=O)([N-]Cc1cc2n(n1)CCCC2)c1c(Cl)cccc1Cl ZINC000919604581 758453578 /nfs/dbraw/zinc/45/35/78/758453578.db2.gz YIWZXXQINBWDMV-UHFFFAOYSA-N -1 3 360.266 3.005 20 0 FGADHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1cccnc1SC(F)(F)F ZINC000920297907 758532251 /nfs/dbraw/zinc/53/22/51/758532251.db2.gz KMYHDDOFVRSKBV-UHFFFAOYSA-N -1 3 355.301 3.324 20 0 FGADHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@H](C)c2ccc(C)cc2C)c1 ZINC000920316786 758536316 /nfs/dbraw/zinc/53/63/16/758536316.db2.gz LWFJNNWYCLRFNR-ZDUSSCGKSA-N -1 3 365.426 3.269 20 0 FGADHM O=C(NCc1ccc([O-])c(Br)c1)NC1([C@H]2CCCCO2)CC1 ZINC000921526940 758735730 /nfs/dbraw/zinc/73/57/30/758735730.db2.gz JNDXYCCLIXNBOB-CQSZACIVSA-N -1 3 369.259 3.056 20 0 FGADHM O=S(=O)([N-][C@H]1CCSC2(CCC2)C1)c1cccnc1C(F)(F)F ZINC000921718570 758778927 /nfs/dbraw/zinc/77/89/27/758778927.db2.gz YHJPBELBHJXUTM-JTQLQIEISA-N -1 3 366.430 3.197 20 0 FGADHM CCc1noc([C@H]2CC[C@H]([N-]S(=O)(=O)c3cc(F)ccc3Cl)C2)n1 ZINC000921799128 758798929 /nfs/dbraw/zinc/79/89/29/758798929.db2.gz UJQQKVMKWJKLIM-ONGXEEELSA-N -1 3 373.837 3.039 20 0 FGADHM O=S(=O)([N-][C@H]([C@H]1CCOC1)C(F)(F)F)c1cccc2ccccc21 ZINC000921862201 758810564 /nfs/dbraw/zinc/81/05/64/758810564.db2.gz KUMRMYRZAZDQKD-SWLSCSKDSA-N -1 3 359.369 3.086 20 0 FGADHM O=S(=O)([N-][C@H]([C@@H]1CCOC1)C(F)(F)F)c1cccc2ccccc21 ZINC000921862200 758810856 /nfs/dbraw/zinc/81/08/56/758810856.db2.gz KUMRMYRZAZDQKD-IUODEOHRSA-N -1 3 359.369 3.086 20 0 FGADHM CC[C@@]1(C(=O)[O-])CCCN(C[C@H](O)c2cccc(Br)c2)C1 ZINC000923474251 759126892 /nfs/dbraw/zinc/12/68/92/759126892.db2.gz XGHBDSSMDWPIKG-GOEBONIOSA-N -1 3 356.260 3.059 20 0 FGADHM Cc1ccc(C(=O)N2CCC[C@H]2c2ncc(Br)cn2)c([O-])c1 ZINC000928357797 760162558 /nfs/dbraw/zinc/16/25/58/760162558.db2.gz LIULZKOYDOZVDN-ZDUSSCGKSA-N -1 3 362.227 3.230 20 0 FGADHM Cc1cc(C(F)(F)C(=O)[N-][C@H]2CCCc3nc(C)ncc32)cnc1Cl ZINC000932983796 761289359 /nfs/dbraw/zinc/28/93/59/761289359.db2.gz PLFPVPAWEBTJOH-AWEZNQCLSA-N -1 3 366.799 3.427 20 0 FGADHM O=C(c1c[n-]c2cc(F)c(F)cc2c1=O)N1CC=C(C(F)(F)F)CC1 ZINC000935101609 761790602 /nfs/dbraw/zinc/79/06/02/761790602.db2.gz RHLTWFPQZWUPNS-UHFFFAOYSA-N -1 3 358.266 3.141 20 0 FGADHM O=C(Nc1ccc(Br)cc1[O-])c1cc(Br)c[nH]1 ZINC000125991265 209364458 /nfs/dbraw/zinc/36/44/58/209364458.db2.gz ITZOBKOMEKHUBH-UHFFFAOYSA-N -1 3 360.005 3.498 20 0 FGADHM Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)CCC4)C2)c([O-])c1 ZINC000105838229 209269547 /nfs/dbraw/zinc/26/95/47/209269547.db2.gz PCLOKQYKHFJBLM-INIZCTEOSA-N -1 3 350.418 3.181 20 0 FGADHM CC(C)N1CCN(Cc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)CC1 ZINC000097205729 209174141 /nfs/dbraw/zinc/17/41/41/209174141.db2.gz 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/nfs/dbraw/zinc/57/10/67/499571067.db2.gz VLYIBDKUVIRTBG-MRVPVSSYSA-N -1 3 367.614 3.145 20 0 FGADHM O=S(=O)([N-]CCCc1cccs1)c1cc(F)ccc1OC(F)F ZINC000570791017 505580984 /nfs/dbraw/zinc/58/09/84/505580984.db2.gz GPZQPVBACIENKM-UHFFFAOYSA-N -1 3 365.398 3.400 20 0 FGADHM COC(=O)c1nc[n-]c1NC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1Cl ZINC000579608288 505586287 /nfs/dbraw/zinc/58/62/87/505586287.db2.gz OLMLRCBVJLCHMX-BDAKNGLRSA-N -1 3 354.193 3.245 20 0 FGADHM COC(=O)c1[n-]cnc1NC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1Cl ZINC000579608288 505586291 /nfs/dbraw/zinc/58/62/91/505586291.db2.gz OLMLRCBVJLCHMX-BDAKNGLRSA-N -1 3 354.193 3.245 20 0 FGADHM O=C(Nc1c([O-])cccc1Cl)[C@H]1CCCN(C(=O)NC2CCCC2)C1 ZINC000579649718 505594084 /nfs/dbraw/zinc/59/40/84/505594084.db2.gz LYCAAMIEFVOTBA-LBPRGKRZSA-N -1 3 365.861 3.348 20 0 FGADHM O=S(=O)([N-]C1CC(C(F)(F)F)C1)c1cccc(Br)c1 ZINC000570835345 505591656 /nfs/dbraw/zinc/59/16/56/505591656.db2.gz VFWFVLZIDWHYDF-UHFFFAOYSA-N -1 3 358.179 3.068 20 0 FGADHM COC(=O)[C@H](C)Cc1ccc([N-]S(=O)(=O)c2ccc(C)cc2C)cc1 ZINC000576793247 505595236 /nfs/dbraw/zinc/59/52/36/505595236.db2.gz SGMKRNXZZTVBRM-OAHLLOKOSA-N -1 3 361.463 3.456 20 0 FGADHM CCn1c(CNC[C@@H](Cc2cccc(C)c2)C(=O)[O-])nc2ccccc21 ZINC000570880426 505601218 /nfs/dbraw/zinc/60/12/18/505601218.db2.gz CRPHHQVIGNQGMV-QGZVFWFLSA-N -1 3 351.450 3.398 20 0 FGADHM O=c1nc(CN[C@@H](c2cccs2)C2(CO)CCC2)[n-]c2ccsc21 ZINC000579684633 505601948 /nfs/dbraw/zinc/60/19/48/505601948.db2.gz RCRLQHDQFMJJCW-HNNXBMFYSA-N -1 3 361.492 3.452 20 0 FGADHM COc1ccc(-c2nc(CN3CCC[C@@H]3CC(=O)[O-])cs2)cc1OC ZINC000568063349 505606817 /nfs/dbraw/zinc/60/68/17/505606817.db2.gz CVSDJFAAULEJSV-CQSZACIVSA-N -1 3 362.451 3.266 20 0 FGADHM O=C(N[C@H]1CCC[C@H](c2nc3ccccc3[nH]2)C1)c1c([O-])cccc1O ZINC000579715174 505607573 /nfs/dbraw/zinc/60/75/73/505607573.db2.gz RFZCJEIWZDZLAS-STQMWFEESA-N -1 3 351.406 3.430 20 0 FGADHM Cc1cc([N-]C(=O)[C@H](C)N2CCn3c(cc4ccc(Cl)cc43)C2)on1 ZINC000570910251 505609884 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/nfs/dbraw/zinc/83/85/29/493838529.db2.gz HVKVKUWMMGSGSN-UHFFFAOYSA-N -1 3 370.434 3.025 20 0 FGADHM CCCS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc(N(C)C)cc2)cc1 ZINC000076196660 493841127 /nfs/dbraw/zinc/84/11/27/493841127.db2.gz WHQOCIOXCSQNBH-UHFFFAOYSA-N -1 3 361.467 3.157 20 0 FGADHM C[C@@H](CSc1ccc(F)cc1)C(=O)N=c1[n-]n(C)cc1Br ZINC000568394588 505684102 /nfs/dbraw/zinc/68/41/02/505684102.db2.gz QBGXCDYBXWGAKH-VIFPVBQESA-N -1 3 372.263 3.111 20 0 FGADHM C[C@H](C1CC1)N(Cc1ccccc1)C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000068630857 493848110 /nfs/dbraw/zinc/84/81/10/493848110.db2.gz KXPUTACSIFGHQD-CYBMUJFWSA-N -1 3 363.417 3.403 20 0 FGADHM Cc1c2ccccc2oc1C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000029687043 493851968 /nfs/dbraw/zinc/85/19/68/493851968.db2.gz NNFBHKOJSODXLS-UHFFFAOYSA-N -1 3 364.401 3.045 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@H](c3ccsc3)N(C)C)nc2)n1 ZINC000068663392 493852325 /nfs/dbraw/zinc/85/23/25/493852325.db2.gz MAOUAXDPYLFWOE-MRXNPFEDSA-N -1 3 369.494 3.171 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(N3CC4C[C@@H]5CC3C[C@H](C4)C5)nc2)n1 ZINC000068693838 493858331 /nfs/dbraw/zinc/85/83/31/493858331.db2.gz DEVQZGLQUDGBJV-FLOBVVSRSA-N -1 3 350.466 3.409 20 0 FGADHM CCc1nc(CCNc2ccc(-c3nc(CC)cc(=O)[n-]3)cn2)cs1 ZINC000068698334 493859446 /nfs/dbraw/zinc/85/94/46/493859446.db2.gz KJXCTFQFTCVJBG-UHFFFAOYSA-N -1 3 355.467 3.068 20 0 FGADHM CCCOc1ccc(CNc2ccc(-c3nc(CC)cc(=O)[n-]3)cn2)cn1 ZINC000068703271 493860370 /nfs/dbraw/zinc/86/03/70/493860370.db2.gz BMPNHQIOMFYRDV-UHFFFAOYSA-N -1 3 365.437 3.190 20 0 FGADHM Cc1ccc(F)c(S(=O)(=O)[N-]CC(C)(C)c2ccc3c(c2)OCO3)c1 ZINC000058509507 493861042 /nfs/dbraw/zinc/86/10/42/493861042.db2.gz AJJUPRDCXWVSTN-UHFFFAOYSA-N -1 3 365.426 3.119 20 0 FGADHM CC(C)C(=O)N1CCC(C(=O)Nc2cc(C(F)(F)F)ccc2[O-])CC1 ZINC000081458580 493897333 /nfs/dbraw/zinc/89/73/33/493897333.db2.gz ABDDPRBRPMIQOI-UHFFFAOYSA-N -1 3 358.360 3.244 20 0 FGADHM COC(=O)c1ccc(C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC000069099756 493922009 /nfs/dbraw/zinc/92/20/09/493922009.db2.gz GPNQAOCGRXKOMI-UHFFFAOYSA-N -1 3 374.245 3.259 20 0 FGADHM CC(C)(C(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1cccc(Cl)c1 ZINC000076594204 493931021 /nfs/dbraw/zinc/93/10/21/493931021.db2.gz VPWWNSOOKLJSMK-UHFFFAOYSA-N -1 3 355.829 3.114 20 0 FGADHM CC(C)(C(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1cccc(Cl)c1 ZINC000076594204 493931023 /nfs/dbraw/zinc/93/10/23/493931023.db2.gz VPWWNSOOKLJSMK-UHFFFAOYSA-N -1 3 355.829 3.114 20 0 FGADHM Cc1nc(C2([N-]S(=O)(=O)Cc3ccccc3C)CCCCCC2)no1 ZINC000076685712 493950203 /nfs/dbraw/zinc/95/02/03/493950203.db2.gz WNOPOFWEJJNMJK-UHFFFAOYSA-N -1 3 363.483 3.356 20 0 FGADHM CCc1cccc(C(=O)N2CCCN(C(=O)c3ccsc3)CC2)c1[O-] ZINC000081754111 493950437 /nfs/dbraw/zinc/95/04/37/493950437.db2.gz XUOBSAPAGHDBKK-UHFFFAOYSA-N -1 3 358.463 3.004 20 0 FGADHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCCC3(C2)CCCCCC3)c(C)o1 ZINC000081792826 493955126 /nfs/dbraw/zinc/95/51/26/493955126.db2.gz ITOXSYNDLHLCAM-UHFFFAOYSA-N -1 3 368.499 3.073 20 0 FGADHM CCc1cccc(C(=O)N(C)Cc2nc([C@H](C)OCC(C)C)no2)c1[O-] ZINC000081794182 493955456 /nfs/dbraw/zinc/95/54/56/493955456.db2.gz JTGOHJWUEHJXML-ZDUSSCGKSA-N -1 3 361.442 3.343 20 0 FGADHM CCOC(=O)c1c(C2CC2)csc1[N-]C(=O)c1snnc1CC ZINC000061049335 493964676 /nfs/dbraw/zinc/96/46/76/493964676.db2.gz YCFMMABDGQJOPD-UHFFFAOYSA-N -1 3 351.453 3.468 20 0 FGADHM CCc1cccc(C(=O)N2CCC(NC(=O)Nc3ccccc3)CC2)c1[O-] ZINC000081945392 493971552 /nfs/dbraw/zinc/97/15/52/493971552.db2.gz YZARYVMKHGFTGI-UHFFFAOYSA-N -1 3 367.449 3.381 20 0 FGADHM Cc1csc(-c2cccc([N-]S(=O)(=O)C[C@H]3CCCCO3)c2)n1 ZINC000076937082 493992106 /nfs/dbraw/zinc/99/21/06/493992106.db2.gz GHZLVFDLHLSQLA-OAHLLOKOSA-N -1 3 352.481 3.429 20 0 FGADHM Cc1ccc(CN2C[C@H](C(=O)Nc3cc(Cl)ccc3[O-])CC2=O)cc1 ZINC000069693367 493998718 /nfs/dbraw/zinc/99/87/18/493998718.db2.gz FMPFTCZFMIKORD-CQSZACIVSA-N -1 3 358.825 3.341 20 0 FGADHM CN(Cc1ccc(Br)s1)C(=O)c1ccc2n[n-]nc2c1 ZINC000069712218 494000514 /nfs/dbraw/zinc/00/05/14/494000514.db2.gz 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ZINC000069984527 494034019 /nfs/dbraw/zinc/03/40/19/494034019.db2.gz YBZWZXCCTUIJDV-UHFFFAOYSA-N -1 3 363.421 3.326 20 0 FGADHM COc1ccccc1C(C)(C)CNC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000063274517 494039132 /nfs/dbraw/zinc/03/91/32/494039132.db2.gz LSZWNPNTYYTYIN-UHFFFAOYSA-N -1 3 350.418 3.244 20 0 FGADHM Cc1ccc(C(=O)Nc2ccc(NC(=O)[C@H]3CCCO3)cc2)c([O-])c1C ZINC000052563065 494040566 /nfs/dbraw/zinc/04/05/66/494040566.db2.gz SXSCHYXPZITYNW-QGZVFWFLSA-N -1 3 354.406 3.379 20 0 FGADHM O=c1nc(Cc2nnc3n2CCCCC3)[n-]c2sc3ccccc3c21 ZINC000077251925 494042797 /nfs/dbraw/zinc/04/27/97/494042797.db2.gz YXICEVVAYHQRPQ-UHFFFAOYSA-N -1 3 351.435 3.047 20 0 FGADHM CC(C)c1ccc(C(=O)NCc2ccccc2Cn2cncn2)c([O-])c1 ZINC000052615118 494046601 /nfs/dbraw/zinc/04/66/01/494046601.db2.gz KZRKGWUWTPTVDT-UHFFFAOYSA-N -1 3 350.422 3.085 20 0 FGADHM CCOC(=O)c1csc(Cc2nc(=O)c3c4ccccc4sc3[n-]2)n1 ZINC000070694458 494048363 /nfs/dbraw/zinc/04/83/63/494048363.db2.gz ZNJCHICYEPQVPJ-UHFFFAOYSA-N -1 3 371.443 3.362 20 0 FGADHM CCOc1ccccc1OCCCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000070731162 494051857 /nfs/dbraw/zinc/05/18/57/494051857.db2.gz YABLOEJZDTWBGH-UHFFFAOYSA-N -1 3 367.409 3.063 20 0 FGADHM CCOc1ccccc1OCCCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000070731162 494051861 /nfs/dbraw/zinc/05/18/61/494051861.db2.gz YABLOEJZDTWBGH-UHFFFAOYSA-N -1 3 367.409 3.063 20 0 FGADHM COC(=O)c1cc(C)nc2nc(SCc3cc(C)ccc3C)[n-]c(=O)c12 ZINC000070766228 494054647 /nfs/dbraw/zinc/05/46/47/494054647.db2.gz RGBGTBIUWAMYNJ-UHFFFAOYSA-N -1 3 369.446 3.322 20 0 FGADHM Cc1ccc(CC(=O)Nc2nc(-c3ccc(Br)cc3)n[n-]2)cc1 ZINC000063497350 494060645 /nfs/dbraw/zinc/06/06/45/494060645.db2.gz CPKLFBOASSKKRZ-UHFFFAOYSA-N -1 3 371.238 3.146 20 0 FGADHM COc1ccccc1-c1nc(NC(=O)c2ccc(-n3cc(C)cn3)cc2)n[n-]1 ZINC000052779189 494061200 /nfs/dbraw/zinc/06/12/00/494061200.db2.gz ZXEFFMGOLIQUKS-UHFFFAOYSA-N -1 3 374.404 3.227 20 0 FGADHM COc1ccccc1-c1n[n-]c(NC(=O)[C@H](C)Sc2ccccc2)n1 ZINC000052778641 494061420 /nfs/dbraw/zinc/06/14/20/494061420.db2.gz 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CC(C)(C)c1ccc(OCC(=O)Nc2nc(-c3ccccn3)n[n-]2)cc1 ZINC000047343380 494685397 /nfs/dbraw/zinc/68/53/97/494685397.db2.gz GJDYSZAJFZRGHP-UHFFFAOYSA-N -1 3 351.410 3.182 20 0 FGADHM CC(C)(C)c1ccc(OCC(=O)Nc2n[n-]c(-c3ccccn3)n2)cc1 ZINC000047343380 494685401 /nfs/dbraw/zinc/68/54/01/494685401.db2.gz GJDYSZAJFZRGHP-UHFFFAOYSA-N -1 3 351.410 3.182 20 0 FGADHM CO[C@@H](CNC(=O)c1cc(NC(C)=O)ccc1[O-])c1cccc(Cl)c1 ZINC000075214745 494706954 /nfs/dbraw/zinc/70/69/54/494706954.db2.gz DKLQHTDQYWSBLI-KRWDZBQOSA-N -1 3 362.813 3.122 20 0 FGADHM COc1ccc(CN2CCN(C(=O)c3ccccc3[O-])CC2)cc1Cl ZINC000121334424 494707150 /nfs/dbraw/zinc/70/71/50/494707150.db2.gz ICDMOPBSYLUYCW-UHFFFAOYSA-N -1 3 360.841 3.012 20 0 FGADHM CCN(CC)[C@H](CNC(=O)c1c(C)[n-]c(=O)nc1SC)c1ccccc1 ZINC000080509901 494722914 /nfs/dbraw/zinc/72/29/14/494722914.db2.gz KXIXSKRCXQVLQH-OAHLLOKOSA-N -1 3 374.510 3.025 20 0 FGADHM Cc1ccc([O-])c(CN2CCC[C@@H](CNC(=O)Nc3cccc(F)c3)C2)n1 ZINC000092708953 494723014 /nfs/dbraw/zinc/72/30/14/494723014.db2.gz GBYVQEJXGIDGBW-HNNXBMFYSA-N -1 3 372.444 3.268 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1c(F)cccc1F)c1ccccc1-n1cccn1 ZINC000131815209 494740818 /nfs/dbraw/zinc/74/08/18/494740818.db2.gz KTGCSJXVJFYRNW-LBPRGKRZSA-N -1 3 363.389 3.190 20 0 FGADHM COc1ccc(CC(=O)Nc2cc(Br)ccc2[O-])cc1F ZINC000126435682 494750094 /nfs/dbraw/zinc/75/00/94/494750094.db2.gz YDBGJLUURQBASC-UHFFFAOYSA-N -1 3 354.175 3.484 20 0 FGADHM O=S(=O)([N-][C@H](CCCO)c1ccccc1)c1cc(F)ccc1Cl ZINC000121428793 494752344 /nfs/dbraw/zinc/75/23/44/494752344.db2.gz SSHVJQOWNHJLEQ-OAHLLOKOSA-N -1 3 357.834 3.271 20 0 FGADHM CCc1nc(C2([N-]S(=O)(=O)Cc3c(C)cccc3C)CCCC2)no1 ZINC000574293601 505740010 /nfs/dbraw/zinc/74/00/10/505740010.db2.gz BHYUXFQBKZPMPH-UHFFFAOYSA-N -1 3 363.483 3.138 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)Nc1cccc(-c2nnc3n2CCC3)c1 ZINC000121447622 494761329 /nfs/dbraw/zinc/76/13/29/494761329.db2.gz QAUANCSHLDAJQD-UHFFFAOYSA-N -1 3 367.384 3.058 20 0 FGADHM Cc1ccc(NC(=O)c2cc(Br)c3c(c2)OCCO3)c([O-])c1 ZINC000116372424 494769079 /nfs/dbraw/zinc/76/90/79/494769079.db2.gz OVTXCJYNDVTTCX-UHFFFAOYSA-N -1 3 364.195 3.487 20 0 FGADHM COC(=O)c1ccc(C(=O)Nc2ccc(Br)cc2[O-])cc1 ZINC000075472655 494772309 /nfs/dbraw/zinc/77/23/09/494772309.db2.gz KDIMIMWGEALCQW-UHFFFAOYSA-N -1 3 350.168 3.194 20 0 FGADHM CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)CNC(=O)c2ccc([O-])cc2)o1 ZINC000075496853 494778154 /nfs/dbraw/zinc/77/81/54/494778154.db2.gz HPUQFPIRCNSRJH-KSSFIOAISA-N -1 3 370.449 3.277 20 0 FGADHM COc1cccc(C2(C(=O)Nc3nnc(C(F)(F)F)[n-]3)CCCC2)c1 ZINC000108785631 494785760 /nfs/dbraw/zinc/78/57/60/494785760.db2.gz JSOPLFBPJDXAKN-UHFFFAOYSA-N -1 3 354.332 3.283 20 0 FGADHM COc1cccc(C2(C(=O)Nc3nc(C(F)(F)F)n[n-]3)CCCC2)c1 ZINC000108785631 494785762 /nfs/dbraw/zinc/78/57/62/494785762.db2.gz JSOPLFBPJDXAKN-UHFFFAOYSA-N -1 3 354.332 3.283 20 0 FGADHM COc1cc(F)cc(CNC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)c1 ZINC000092128221 494797795 /nfs/dbraw/zinc/79/77/95/494797795.db2.gz ZBGCOJMMOUJDHI-UHFFFAOYSA-N -1 3 358.344 3.053 20 0 FGADHM CC[C@@H]1CO[C@@H](C)CN1Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000026195984 494809627 /nfs/dbraw/zinc/80/96/27/494809627.db2.gz DESLNHDHTXXLRS-NWDGAFQWSA-N -1 3 359.451 3.244 20 0 FGADHM Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)[N-]c3nc[nH]n3)cc12 ZINC000026264068 494814598 /nfs/dbraw/zinc/81/45/98/494814598.db2.gz DUPKEKKWGYXJBQ-UHFFFAOYSA-N -1 3 358.814 3.419 20 0 FGADHM CS(=O)(=O)[N-]c1cc(NC(=O)CCc2ccccc2Cl)ccc1F ZINC000026293895 494815834 /nfs/dbraw/zinc/81/58/34/494815834.db2.gz XLIQRGRISWKLHN-UHFFFAOYSA-N -1 3 370.833 3.422 20 0 FGADHM COCCOc1ccc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)cc1 ZINC000026527589 494829955 /nfs/dbraw/zinc/82/99/55/494829955.db2.gz JCLBTNBXRZCQBA-UHFFFAOYSA-N -1 3 355.843 3.474 20 0 FGADHM C[C@@H](O)C[C@@H]1CCCN1C(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000093241794 494850197 /nfs/dbraw/zinc/85/01/97/494850197.db2.gz UVKXJCNWHNIETN-WBVHZDCISA-N -1 3 355.434 3.347 20 0 FGADHM CSc1ccc([C@@H](C)NC(=O)CCNC(=O)c2ccc(C)cc2[O-])cc1 ZINC000116774128 494851387 /nfs/dbraw/zinc/85/13/87/494851387.db2.gz GTOMABRGGKRTRJ-CQSZACIVSA-N -1 3 372.490 3.420 20 0 FGADHM CC(C)(C)n1cc(NC(=O)NCc2ccc([O-])c(Br)c2)cn1 ZINC000093274913 494855109 /nfs/dbraw/zinc/85/51/09/494855109.db2.gz MEXUGVDIVITZJH-UHFFFAOYSA-N -1 3 367.247 3.428 20 0 FGADHM Cc1ccc([O-])c(CN[C@H](Cc2ccccc2)C(=O)Nc2ccccc2)n1 ZINC000109350181 494862846 /nfs/dbraw/zinc/86/28/46/494862846.db2.gz IFTXFFOIPMGMPL-LJQANCHMSA-N -1 3 361.445 3.435 20 0 FGADHM O=c1[n-]c(CN2CCCCC[C@H]2C[C@@H](O)c2ccco2)nc2ccsc21 ZINC000121810927 494865934 /nfs/dbraw/zinc/86/59/34/494865934.db2.gz NWSQDEHIEKQINC-DZGCQCFKSA-N -1 3 373.478 3.446 20 0 FGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)[C@@H](C)c1c(F)cccc1F ZINC000093313847 494866502 /nfs/dbraw/zinc/86/65/02/494866502.db2.gz HZKSBXPZIOMAEK-VIFPVBQESA-N -1 3 352.337 3.434 20 0 FGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)c1oc2c(c1C)C(=O)CCC2 ZINC000093312697 494866660 /nfs/dbraw/zinc/86/66/60/494866660.db2.gz LONDVMLXRZTFNQ-UHFFFAOYSA-N -1 3 360.366 3.086 20 0 FGADHM O=C(Cn1cc(-c2ccccc2)nn1)Nc1ccc(Br)cc1[O-] ZINC000132478116 494880840 /nfs/dbraw/zinc/88/08/40/494880840.db2.gz MDSBWQJMLOSLBI-UHFFFAOYSA-N -1 3 373.210 3.052 20 0 FGADHM Cc1ccc([C@H](C)NC(=O)CSc2n[n-]c(-c3ccccn3)n2)cc1C ZINC000117113166 494891537 /nfs/dbraw/zinc/89/15/37/494891537.db2.gz IFPGLRWKNNTYNM-AWEZNQCLSA-N -1 3 367.478 3.453 20 0 FGADHM C[C@H](NC(=O)CSc1n[n-]c(-c2ccccn2)n1)c1ccc(Cl)cc1 ZINC000117115323 494893057 /nfs/dbraw/zinc/89/30/57/494893057.db2.gz PGRWECKFMDRDTP-NSHDSACASA-N -1 3 373.869 3.490 20 0 FGADHM C[C@H](c1ccccc1)N(C)C(=O)CSc1n[n-]c(-c2ccccn2)n1 ZINC000117114681 494893168 /nfs/dbraw/zinc/89/31/68/494893168.db2.gz HJVQOJSJQFUCLN-CYBMUJFWSA-N -1 3 353.451 3.178 20 0 FGADHM Cc1cccc(C(=O)NCc2ccc(C(=O)Nc3ccncc3)cc2)c1[O-] ZINC000121953024 494897898 /nfs/dbraw/zinc/89/78/98/494897898.db2.gz KQOGIXMNDLHLKX-UHFFFAOYSA-N -1 3 361.401 3.278 20 0 FGADHM CC[C@@H]1CCCN(C(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)CC1 ZINC000117264052 494906254 /nfs/dbraw/zinc/90/62/54/494906254.db2.gz ZEKWKPSUJIWLKW-MRXNPFEDSA-N -1 3 368.481 3.112 20 0 FGADHM Cc1c(C(=O)NCc2ccc([O-])c(F)c2)nnn1-c1ccccc1Cl ZINC000132663032 494907100 /nfs/dbraw/zinc/90/71/00/494907100.db2.gz STFOKLZQELCDSL-UHFFFAOYSA-N -1 3 360.776 3.004 20 0 FGADHM O=C(NCc1ccc(Cn2cnc3ccccc32)cc1)c1cncc([O-])c1 ZINC000109960140 494934314 /nfs/dbraw/zinc/93/43/14/494934314.db2.gz WPRLFZZKYUFLHF-UHFFFAOYSA-N -1 3 358.401 3.115 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]C2CCC(C(=O)OC(C)(C)C)CC2)c(F)c1 ZINC000093944366 494937646 /nfs/dbraw/zinc/93/76/46/494937646.db2.gz AISBGPJXPIBMKK-UHFFFAOYSA-N -1 3 371.474 3.313 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N[C@@H](C)Cc3ccccc3F)c[n-]c12 ZINC000122200255 494939338 /nfs/dbraw/zinc/93/93/38/494939338.db2.gz SOLHUACBJPJRIU-LBPRGKRZSA-N -1 3 356.372 3.476 20 0 FGADHM C[C@@H](CN(C)c1nc(-c2cccs2)nc2ccccc21)c1nnn[n-]1 ZINC000132921535 494943053 /nfs/dbraw/zinc/94/30/53/494943053.db2.gz QVVCEMFBTYDGAQ-NSHDSACASA-N -1 3 351.439 3.111 20 0 FGADHM C[C@@H](CN(C)c1nc(-c2cccs2)nc2ccccc21)c1nn[n-]n1 ZINC000132921535 494943056 /nfs/dbraw/zinc/94/30/56/494943056.db2.gz QVVCEMFBTYDGAQ-NSHDSACASA-N -1 3 351.439 3.111 20 0 FGADHM Cc1ccccc1-n1ccnc1SCC(=O)NCc1ccc([O-])c(F)c1 ZINC000132924017 494943584 /nfs/dbraw/zinc/94/35/84/494943584.db2.gz IAQYEXNEDHXFET-UHFFFAOYSA-N -1 3 371.437 3.434 20 0 FGADHM CCOC(=O)CN(C(=O)c1cc(Cc2ccccc2)ccc1[O-])C1CC1 ZINC000094054813 494943616 /nfs/dbraw/zinc/94/36/16/494943616.db2.gz VMTVEDCGQFTETO-UHFFFAOYSA-N -1 3 353.418 3.151 20 0 FGADHM COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1C(=O)c1cccc(C)c1[O-] ZINC000117708764 494947159 /nfs/dbraw/zinc/94/71/59/494947159.db2.gz YRZNOHJYLLPYQX-KRWDZBQOSA-N -1 3 368.433 3.261 20 0 FGADHM CCN(C(=O)c1cc(NC(C)=O)ccc1[O-])[C@@H](C)Cc1ccc(OC)cc1 ZINC000122395082 494968497 /nfs/dbraw/zinc/96/84/97/494968497.db2.gz OVOGPWLUKZGGQZ-AWEZNQCLSA-N -1 3 370.449 3.453 20 0 FGADHM Cc1noc2nc(-c3ccccc3)cc(C(=O)[N-]c3nc4ccccn4n3)c12 ZINC000133259850 494991357 /nfs/dbraw/zinc/99/13/57/494991357.db2.gz ZRLBXTUSJQDKMG-UHFFFAOYSA-N -1 3 370.372 3.493 20 0 FGADHM Cc1ccc([O-])c(C(=O)Nc2ccc(C(=O)N3CCOCC3)c(Cl)c2)c1 ZINC000122559956 494994258 /nfs/dbraw/zinc/99/42/58/494994258.db2.gz JKRBEQISVYPELB-UHFFFAOYSA-N -1 3 374.824 3.079 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)[C@H]1CCCN(C2CCC2)C1 ZINC000133357743 495005219 /nfs/dbraw/zinc/00/52/19/495005219.db2.gz XSYLUOQTQPMRQO-STQMWFEESA-N -1 3 374.909 3.410 20 0 FGADHM Cc1noc(C)c1[C@@H](C)[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000096554773 495012348 /nfs/dbraw/zinc/01/23/48/495012348.db2.gz MBBFYSBVJCVVLN-SSDOTTSWSA-N -1 3 365.274 3.155 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CCC[C@@H]2Cc2ccccc2)c1 ZINC000122672344 495013876 /nfs/dbraw/zinc/01/38/76/495013876.db2.gz UUCOCSQDDJPKNN-VQIMIIECSA-N -1 3 352.434 3.492 20 0 FGADHM CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)[N-]c1c(F)cc(F)cc1F)C(=O)C2 ZINC000133516086 495023623 /nfs/dbraw/zinc/02/36/23/495023623.db2.gz RHUBGUQBHFKWFH-FVMDXXJSSA-N -1 3 361.385 3.241 20 0 FGADHM CC(C)[C@@H](NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)c1ccc(F)cc1F ZINC000133686369 495046622 /nfs/dbraw/zinc/04/66/22/495046622.db2.gz BHUCHRLGPYWADK-MRXNPFEDSA-N -1 3 373.359 3.367 20 0 FGADHM Cc1cc([N-]C(=O)[C@@H](C)Nc2ccccc2OC[C@@H]2CCCCO2)on1 ZINC000122906527 495050529 /nfs/dbraw/zinc/05/05/29/495050529.db2.gz IKPMUTXCIURVKE-CABCVRRESA-N -1 3 359.426 3.370 20 0 FGADHM O=C(c1ccc([O-])cc1F)N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000133764483 495059011 /nfs/dbraw/zinc/05/90/11/495059011.db2.gz QFRHSSDZUXVQKB-AWEZNQCLSA-N -1 3 366.396 3.336 20 0 FGADHM Cc1cccc(C(=O)Nc2nc(CN3C[C@@H](C)O[C@@H](C)C3)cs2)c1[O-] ZINC000122982804 495062865 /nfs/dbraw/zinc/06/28/65/495062865.db2.gz CPGXOYNBEQOJTF-BETUJISGSA-N -1 3 361.467 3.019 20 0 FGADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000133823631 495066011 /nfs/dbraw/zinc/06/60/11/495066011.db2.gz XKDCDFHZNWXEQV-BXUZGUMPSA-N -1 3 373.771 3.040 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3ccon3)cc2)cc1 ZINC000128418595 495094064 /nfs/dbraw/zinc/09/40/64/495094064.db2.gz LMRMPDGJCXZUAG-UHFFFAOYSA-N -1 3 357.391 3.036 20 0 FGADHM CCC(CC)[C@H](O)C[N-]S(=O)(=O)c1ccc(-c2csc(C)n2)s1 ZINC000119128955 495100098 /nfs/dbraw/zinc/10/00/98/495100098.db2.gz JZKGDBSCUDDITK-CYBMUJFWSA-N -1 3 374.553 3.255 20 0 FGADHM Cc1ccc(CN(C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)C2CC2)cc1C ZINC000134079524 495103118 /nfs/dbraw/zinc/10/31/18/495103118.db2.gz OOUNIDYHKKNZNP-UHFFFAOYSA-N -1 3 363.417 3.384 20 0 FGADHM Cc1cccc(C(=O)N2CCC(c3nc(-c4ccccn4)no3)CC2)c1[O-] ZINC000102310168 495128180 /nfs/dbraw/zinc/12/81/80/495128180.db2.gz YYMYNGWJOGKDGT-UHFFFAOYSA-N -1 3 364.405 3.165 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc([C@@H](C)N3CCOCC3)cc2)cc1C ZINC000111994949 495135181 /nfs/dbraw/zinc/13/51/81/495135181.db2.gz VFGBINYLMIQDIJ-QGZVFWFLSA-N -1 3 374.506 3.497 20 0 FGADHM CCCN(C(=O)c1ccc(OC)cc1[O-])[C@@H](C)C(=O)Nc1ccccc1 ZINC000102608512 495145826 /nfs/dbraw/zinc/14/58/26/495145826.db2.gz AFNQQPHKCUNPEB-AWEZNQCLSA-N -1 3 356.422 3.280 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)c1cc(OC)ccc1Cl)c1c(C)noc1C ZINC000119339160 495145844 /nfs/dbraw/zinc/14/58/44/495145844.db2.gz MQUYHCGXBQKHHX-ZDUSSCGKSA-N -1 3 358.847 3.383 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]c2cccc(CS(=O)(=O)C(C)C)c2)cc1 ZINC000112266921 495163911 /nfs/dbraw/zinc/16/39/11/495163911.db2.gz SBQHICNMCKWPRV-UHFFFAOYSA-N -1 3 367.492 3.119 20 0 FGADHM [O-]c1ccc(Cc2nc(-c3cccc(N4CCOCC4)c3)no2)cc1F ZINC000574402829 505765007 /nfs/dbraw/zinc/76/50/07/505765007.db2.gz LQSZULGXGYXYLA-UHFFFAOYSA-N -1 3 355.369 3.009 20 0 FGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]Cc2nc3ccccc3s2)c1 ZINC000112360960 495180018 /nfs/dbraw/zinc/18/00/18/495180018.db2.gz NQYHFOVJJXAPOA-UHFFFAOYSA-N -1 3 368.867 3.437 20 0 FGADHM O=S(=O)([N-][C@@H]1CCOC2(CCCC2)C1)c1cccc2c1N=S=N2 ZINC000134656733 495182569 /nfs/dbraw/zinc/18/25/69/495182569.db2.gz MHTKRWFNGUXTOX-LLVKDONJSA-N -1 3 353.469 3.183 20 0 FGADHM C[C@@H](CSCc1ccccc1)C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000119610456 495201237 /nfs/dbraw/zinc/20/12/37/495201237.db2.gz CVZTXZAHACYZMO-AWEZNQCLSA-N -1 3 367.478 3.299 20 0 FGADHM C[C@@H](CSCc1ccccc1)C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000119610456 495201242 /nfs/dbraw/zinc/20/12/42/495201242.db2.gz CVZTXZAHACYZMO-AWEZNQCLSA-N -1 3 367.478 3.299 20 0 FGADHM C[C@H]1CCN(C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)C[C@@H]1n1ccnc1 ZINC000123944857 495210722 /nfs/dbraw/zinc/21/07/22/495210722.db2.gz RCOZPIJNWPOEJL-BBRMVZONSA-N -1 3 355.438 3.026 20 0 FGADHM O=C(N=c1cc2ccccn2[n-]1)N1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000568744142 505768267 /nfs/dbraw/zinc/76/82/67/505768267.db2.gz ZLFPNULEBCBBAQ-HNNXBMFYSA-N -1 3 366.425 3.166 20 0 FGADHM COc1ccc([O-])c(C(=O)Nc2cccc(NC(=O)c3ccoc3)c2)c1 ZINC000124035958 495225041 /nfs/dbraw/zinc/22/50/41/495225041.db2.gz YBNCASIYYWQQTJ-UHFFFAOYSA-N -1 3 352.346 3.498 20 0 FGADHM CCOC(=O)[C@@H](Cc1ccccc1)N(C(=O)c1ccccc1[O-])C1CC1 ZINC000112816648 495244131 /nfs/dbraw/zinc/24/41/31/495244131.db2.gz OUTLNNHAHLXIPF-GOSISDBHSA-N -1 3 353.418 3.171 20 0 FGADHM O=C(Nc1cccc([O-])c1F)C1CCN(C(=O)Nc2ccccc2)CC1 ZINC000129439847 495245939 /nfs/dbraw/zinc/24/59/39/495245939.db2.gz GTULKNGNLDVEJQ-UHFFFAOYSA-N -1 3 357.385 3.414 20 0 FGADHM O=C(CNC(=O)NCc1ccc(Cl)cc1)Nc1cc(Cl)ccc1[O-] ZINC000129440799 495245959 /nfs/dbraw/zinc/24/59/59/495245959.db2.gz GPRBYKVCNNYMKR-UHFFFAOYSA-N -1 3 368.220 3.137 20 0 FGADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(Cc2nccs2)CC1 ZINC000135173633 495258783 /nfs/dbraw/zinc/25/87/83/495258783.db2.gz XMONJHXOZQIHIX-UHFFFAOYSA-N -1 3 351.859 3.353 20 0 FGADHM CCOC(=O)c1ccc(NC(=O)c2cccc(-n3ccnc3)c2)c([O-])c1 ZINC000129604885 495269776 /nfs/dbraw/zinc/26/97/76/495269776.db2.gz FIWVBPYAYLBSFE-UHFFFAOYSA-N -1 3 351.362 3.007 20 0 FGADHM O=C(Nc1cccc(OC2CCCC2)c1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000104142111 495270354 /nfs/dbraw/zinc/27/03/54/495270354.db2.gz MMXHGKVZLPNWRG-UHFFFAOYSA-N -1 3 350.374 3.144 20 0 FGADHM O=C(Cc1csc(NC(=O)c2ccco2)n1)Nc1ccc([O-])cc1F ZINC000124433153 495287152 /nfs/dbraw/zinc/28/71/52/495287152.db2.gz IOQYXBWAERPWJX-UHFFFAOYSA-N -1 3 361.354 3.014 20 0 FGADHM CC[C@@H]([N-]S(=O)(=O)c1cnn(-c2ccccc2)c1)c1nc(C)cs1 ZINC000104759857 495303763 /nfs/dbraw/zinc/30/37/63/495303763.db2.gz YUOLHZARPYOVQT-OAHLLOKOSA-N -1 3 362.480 3.067 20 0 FGADHM COCCC1(C(=O)Nc2cccc(-c3nc(C)cc(=O)[n-]3)c2)CCCC1 ZINC000124584360 495311368 /nfs/dbraw/zinc/31/13/68/495311368.db2.gz VFLMIMDFQWOZIZ-UHFFFAOYSA-N -1 3 355.438 3.281 20 0 FGADHM O=C(NC1(c2ccc(Cl)cc2)CCC1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000104874526 495312136 /nfs/dbraw/zinc/31/21/36/495312136.db2.gz QRMTVOOSMOAAGG-UHFFFAOYSA-N -1 3 354.793 3.033 20 0 FGADHM CC(C)[C@@H](NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)c1ccc(Cl)cc1 ZINC000580505018 505773959 /nfs/dbraw/zinc/77/39/59/505773959.db2.gz ZJXPXEVFOVDQFZ-MRXNPFEDSA-N -1 3 356.809 3.351 20 0 FGADHM CC(=O)N[C@@H](CC(=O)Nc1ccc([O-])cc1F)c1c(F)cccc1F ZINC000124608606 495315278 /nfs/dbraw/zinc/31/52/78/495315278.db2.gz RDYGPWWTLLSBPB-HNNXBMFYSA-N -1 3 352.312 3.016 20 0 FGADHM C[C@@H](NC(=O)NCc1ccc([O-])c(F)c1)c1noc(-c2ccccc2)n1 ZINC000135912232 495342915 /nfs/dbraw/zinc/34/29/15/495342915.db2.gz KHKKAVNMUGZHLJ-LLVKDONJSA-N -1 3 356.357 3.142 20 0 FGADHM CCc1c(C(=O)Nc2n[n-]c(-c3ccccc3OC)n2)cnn1CC(C)C ZINC000130152476 495349687 /nfs/dbraw/zinc/34/96/87/495349687.db2.gz QUHCEIILPKQNEA-UHFFFAOYSA-N -1 3 368.441 3.148 20 0 FGADHM C[C@@]1(C[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)CCCC[C@@H]1O ZINC000124845734 495353173 /nfs/dbraw/zinc/35/31/73/495353173.db2.gz WIIKTFWHSGLAHL-KBPBESRZSA-N -1 3 369.380 3.064 20 0 FGADHM O=C(Cc1ccc([O-])cc1Cl)NCC1(c2ccccc2)CCOCC1 ZINC000136160692 495361000 /nfs/dbraw/zinc/36/10/00/495361000.db2.gz VRFKTHKKUCTAQB-UHFFFAOYSA-N -1 3 359.853 3.453 20 0 FGADHM CN(C)[C@H](CNC(=O)Cc1ccc([O-])cc1Cl)c1c(F)cccc1F ZINC000136281877 495369619 /nfs/dbraw/zinc/36/96/19/495369619.db2.gz BTIGRKXZKAKLFQ-MRXNPFEDSA-N -1 3 368.811 3.285 20 0 FGADHM O=S(=O)(CCC1CCCCC1)[N-]Cc1noc(-c2cccc(F)c2)n1 ZINC000580522926 505777425 /nfs/dbraw/zinc/77/74/25/505777425.db2.gz AAPLQGSJXSEPBY-UHFFFAOYSA-N -1 3 367.446 3.266 20 0 FGADHM CCOc1cccnc1C(=O)[N-]c1nnc(-c2ccc(OC)cc2)s1 ZINC000136321568 495372003 /nfs/dbraw/zinc/37/20/03/495372003.db2.gz LZBCCOCCXNPRKB-UHFFFAOYSA-N -1 3 356.407 3.260 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]c2cc(C(=O)N(C)C)ccc2Cl)ccc1F ZINC000105590423 495374379 /nfs/dbraw/zinc/37/43/79/495374379.db2.gz GHBHJLDOZIGUHA-UHFFFAOYSA-N -1 3 370.833 3.290 20 0 FGADHM Cc1ccc([O-])c(C(=O)N[C@H](C)c2ccc(NC(=O)NC3CC3)cc2)c1 ZINC000130339863 495375475 /nfs/dbraw/zinc/37/54/75/495375475.db2.gz FVBINKGVJOGDOC-CYBMUJFWSA-N -1 3 353.422 3.476 20 0 FGADHM CC[C@H](O)[C@H]1CCCCN1Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000114459157 495376802 /nfs/dbraw/zinc/37/68/02/495376802.db2.gz ZTIIGTYBRCGIKY-KGLIPLIRSA-N -1 3 373.478 3.370 20 0 FGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@H](C)C[C@H]2CCCO2)cc1Cl ZINC000105620258 495377535 /nfs/dbraw/zinc/37/75/35/495377535.db2.gz KKHDOCHFBBXKRR-NXEZZACHSA-N -1 3 368.282 3.238 20 0 FGADHM C[C@@H](NC(=O)NCc1ccc([O-])c(Br)c1)c1cccnc1 ZINC000136422350 495379030 /nfs/dbraw/zinc/37/90/30/495379030.db2.gz UDAYSEXXDDIVGO-SNVBAGLBSA-N -1 3 350.216 3.110 20 0 FGADHM C[C@@H](CC1CCCCC1)C(=O)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000114538728 495390273 /nfs/dbraw/zinc/39/02/73/495390273.db2.gz NXBLEVWSDRMNMX-INIZCTEOSA-N -1 3 358.482 3.283 20 0 FGADHM Cc1ccc(-c2ccc(C(=O)N3CCc4c(nc[n-]c4=O)C3)c(F)c2)cc1 ZINC000568797554 505778965 /nfs/dbraw/zinc/77/89/65/505778965.db2.gz DBMLWPGLLDZOAH-UHFFFAOYSA-N -1 3 363.392 3.495 20 0 FGADHM CC(C)(CNC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])c1cccs1 ZINC000114551756 495391399 /nfs/dbraw/zinc/39/13/99/495391399.db2.gz KDPVHHOLZUFEBM-OAHLLOKOSA-N -1 3 372.490 3.152 20 0 FGADHM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-][C@@H](C)c1cc(C)sc1C ZINC000130664547 495427032 /nfs/dbraw/zinc/42/70/32/495427032.db2.gz XYYWNBBXROSJHJ-JTQLQIEISA-N -1 3 371.455 3.330 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1)c1nccs1 ZINC000106237412 495439027 /nfs/dbraw/zinc/43/90/27/495439027.db2.gz AFNHTZIFCBUWCX-ZETCQYMHSA-N -1 3 354.350 3.341 20 0 FGADHM Cc1c(C(=O)Nc2ncccc2[O-])cnn1-c1cccc(Br)c1 ZINC000106282828 495442886 /nfs/dbraw/zinc/44/28/86/495442886.db2.gz WLOAFXXYLPSJBN-UHFFFAOYSA-N -1 3 373.210 3.296 20 0 FGADHM C[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)C[C@H](C)O ZINC000120742338 495448066 /nfs/dbraw/zinc/44/80/66/495448066.db2.gz FRLNYWKMKPMAIK-BDAKNGLRSA-N -1 3 359.797 3.044 20 0 FGADHM CN(CCNC(=O)c1ccc(Br)c([O-])c1)Cc1ccccc1 ZINC000138214566 495456956 /nfs/dbraw/zinc/45/69/56/495456956.db2.gz ZYZQRQMSTSLHBD-UHFFFAOYSA-N -1 3 363.255 3.017 20 0 FGADHM CCCc1nnc([N-]C(=O)c2n[nH]c(C(C)C)c2Br)s1 ZINC000106456598 495457160 /nfs/dbraw/zinc/45/71/60/495457160.db2.gz MKNGUWPTNVZNBM-UHFFFAOYSA-N -1 3 358.265 3.352 20 0 FGADHM Cc1c([O-])ccc2c(CNc3ccn(CC(F)(F)F)n3)cc(=O)oc12 ZINC000120796521 495459060 /nfs/dbraw/zinc/45/90/60/495459060.db2.gz BACUGFVJIKMYOK-UHFFFAOYSA-N -1 3 353.300 3.178 20 0 FGADHM CC(C)(CNC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)C1CCCC1 ZINC000125566071 495463503 /nfs/dbraw/zinc/46/35/03/495463503.db2.gz OFCYKGNXUISFMT-UHFFFAOYSA-N -1 3 373.497 3.076 20 0 FGADHM CCc1cc(=O)[n-]c(CSCc2noc(Cc3ccccc3C)n2)n1 ZINC000125587544 495466745 /nfs/dbraw/zinc/46/67/45/495466745.db2.gz XDCYYZIENYTIDK-UHFFFAOYSA-N -1 3 356.451 3.460 20 0 FGADHM COc1cc(C)cnc1C(=O)[N-]c1nnc(Cc2ccc(F)cc2)s1 ZINC000574501193 505787291 /nfs/dbraw/zinc/78/72/91/505787291.db2.gz WCQCUCGFELATQS-UHFFFAOYSA-N -1 3 358.398 3.232 20 0 FGADHM CCC[C@@H]1CCCN(Cc2nc(=O)c3c(C)c(C(=O)OC)sc3[n-]2)C1 ZINC000120855452 495471882 /nfs/dbraw/zinc/47/18/82/495471882.db2.gz GKYOCPCSRIXKSE-GFCCVEGCSA-N -1 3 363.483 3.092 20 0 FGADHM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-]Cc1ccc2ccccc2c1 ZINC000131121463 495494586 /nfs/dbraw/zinc/49/45/86/495494586.db2.gz CCODLBMYZOELKA-UHFFFAOYSA-N -1 3 373.405 3.244 20 0 FGADHM CC(C)(C)Oc1ccc(CNC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)cc1 ZINC000140476220 495496130 /nfs/dbraw/zinc/49/61/30/495496130.db2.gz VBSKAUILGAWISB-UHFFFAOYSA-N -1 3 367.405 3.069 20 0 FGADHM O=C(Cc1csc(Cc2ccccc2)n1)Nc1nnc(-c2ccco2)[n-]1 ZINC000120986752 495498227 /nfs/dbraw/zinc/49/82/27/495498227.db2.gz FIDJLROGYADIOM-UHFFFAOYSA-N -1 3 365.418 3.293 20 0 FGADHM O=C(Cc1csc(Cc2ccccc2)n1)Nc1nc(-c2ccco2)n[n-]1 ZINC000120986752 495498230 /nfs/dbraw/zinc/49/82/30/495498230.db2.gz FIDJLROGYADIOM-UHFFFAOYSA-N -1 3 365.418 3.293 20 0 FGADHM O=C(Cc1csc(Cc2ccccc2)n1)Nc1n[n-]c(-c2ccco2)n1 ZINC000120986752 495498233 /nfs/dbraw/zinc/49/82/33/495498233.db2.gz FIDJLROGYADIOM-UHFFFAOYSA-N -1 3 365.418 3.293 20 0 FGADHM CCOc1ccc([C@@H](C)NC(=O)c2c[n-]nc2-c2ccccn2)cc1OC ZINC000571664924 505785995 /nfs/dbraw/zinc/78/59/95/505785995.db2.gz RITNEGCKIMCBGQ-CYBMUJFWSA-N -1 3 366.421 3.370 20 0 FGADHM CN(C(=O)c1c[n-]c2ccccc2c1=O)[C@H]1CCCN(c2ccccc2)C1 ZINC000115457205 495507125 /nfs/dbraw/zinc/50/71/25/495507125.db2.gz VRCIYTKFCZUXPF-KRWDZBQOSA-N -1 3 361.445 3.269 20 0 FGADHM Cc1cc(C[N-]S(=O)(=O)c2ccc3c(c2)c2ccccc2n3C)on1 ZINC000142513265 495517344 /nfs/dbraw/zinc/51/73/44/495517344.db2.gz ATSHVDIKHYZCPI-UHFFFAOYSA-N -1 3 355.419 3.106 20 0 FGADHM COc1ccccc1C[C@@H](C)CC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000107241921 495524160 /nfs/dbraw/zinc/52/41/60/495524160.db2.gz HKBPQMIZFOYJAC-CYBMUJFWSA-N -1 3 351.410 3.083 20 0 FGADHM COc1ccccc1C[C@@H](C)CC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000107241921 495524161 /nfs/dbraw/zinc/52/41/61/495524161.db2.gz HKBPQMIZFOYJAC-CYBMUJFWSA-N -1 3 351.410 3.083 20 0 FGADHM Cc1cccc(S(=O)(=O)[N-]c2ccc(O[C@H]3CCCC[C@@H]3O)cc2)c1 ZINC000577779718 505791460 /nfs/dbraw/zinc/79/14/60/505791460.db2.gz BRGFVXCBOBQAKS-OALUTQOASA-N -1 3 361.463 3.478 20 0 FGADHM Cc1nn(C(C)(C)C)cc1C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000182379619 495539355 /nfs/dbraw/zinc/53/93/55/495539355.db2.gz JRJIUUNJHOVKHL-UHFFFAOYSA-N -1 3 365.437 3.258 20 0 FGADHM Cc1csc([C@H]([N-]S(=O)(=O)c2cnn(-c3ccccc3)c2)C2CC2)n1 ZINC000173468997 495544921 /nfs/dbraw/zinc/54/49/21/495544921.db2.gz GGRNEYLSUVTMLA-MRXNPFEDSA-N -1 3 374.491 3.067 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1cccc2c1OCCO2)c1cc2ccccc2o1 ZINC000170656757 495549036 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ZINC000187876457 496605575 /nfs/dbraw/zinc/60/55/75/496605575.db2.gz LGZNAYBRXMIWDB-BZNIZROVSA-N -1 3 356.813 3.214 20 0 FGADHM CS(=O)(=O)c1ccsc1[N-]C(=O)c1cc(F)c(Cl)cc1F ZINC000158017150 496608483 /nfs/dbraw/zinc/60/84/83/496608483.db2.gz IMDSAPIQKQLVCW-UHFFFAOYSA-N -1 3 351.783 3.336 20 0 FGADHM O=C(Cc1ccc([O-])cc1Cl)Nc1cc2c(cc1Cl)NC(=O)CO2 ZINC000181950806 496610252 /nfs/dbraw/zinc/61/02/52/496610252.db2.gz BFOYIDMSOMMTLT-UHFFFAOYSA-N -1 3 367.188 3.211 20 0 FGADHM O=C([O-])[C@H]1CCCN(CC(=O)N(C2CCCCC2)C2CCCCC2)C1 ZINC000164586357 496620824 /nfs/dbraw/zinc/62/08/24/496620824.db2.gz JPEOBTXRHSZBHO-INIZCTEOSA-N -1 3 350.503 3.277 20 0 FGADHM COCCOc1cc(NC(=O)c2cn[n-]c2-c2ccsc2)ccc1OC ZINC000187928929 496621355 /nfs/dbraw/zinc/62/13/55/496621355.db2.gz CEGXMHOQWTZRTO-UHFFFAOYSA-N -1 3 373.434 3.424 20 0 FGADHM COCCOc1cc(NC(=O)c2c[n-]nc2-c2ccsc2)ccc1OC ZINC000187928929 496621357 /nfs/dbraw/zinc/62/13/57/496621357.db2.gz CEGXMHOQWTZRTO-UHFFFAOYSA-N -1 3 373.434 3.424 20 0 FGADHM CSc1nc(=O)[n-]c(C)c1C(=O)N1CCc2c1cccc2C(F)(F)F ZINC000185045767 496636215 /nfs/dbraw/zinc/63/62/15/496636215.db2.gz FMLWWYZPVWEYIO-UHFFFAOYSA-N -1 3 369.368 3.022 20 0 FGADHM Cc1c(CN2CCSCC2)cccc1[N-]S(=O)(=O)c1ccccc1 ZINC000153971944 496639485 /nfs/dbraw/zinc/63/94/85/496639485.db2.gz CEFNATZAIHGQLE-UHFFFAOYSA-N -1 3 362.520 3.345 20 0 FGADHM COCCN(Cc1ccc(C)o1)C(=O)c1c[n-]c2c(C)cccc2c1=O ZINC000164928438 496639717 /nfs/dbraw/zinc/63/97/17/496639717.db2.gz VBCKDBKDVOYJAY-UHFFFAOYSA-N -1 3 354.406 3.439 20 0 FGADHM CCC[C@@H]([NH2+][C@@H](C)c1nc(=O)c2c3c(sc2[n-]1)C[C@H](C)CC3)C(=O)[O-] ZINC000185057610 496640942 /nfs/dbraw/zinc/64/09/42/496640942.db2.gz VNEYRFLUWCLCMZ-JFGNBEQYSA-N -1 3 363.483 3.013 20 0 FGADHM Cc1cc(C)c2[n-]cc(C(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)c(=O)c2c1 ZINC000165021571 496645471 /nfs/dbraw/zinc/64/54/71/496645471.db2.gz JCWWRYZGSIGNAA-QVKFZJNVSA-N -1 3 354.450 3.324 20 0 FGADHM O=C(Nc1nccn1Cc1ccccc1Cl)c1cccc2nn[n-]c21 ZINC000188009799 496650351 /nfs/dbraw/zinc/65/03/51/496650351.db2.gz WGFOVFYZGCRMGH-UHFFFAOYSA-N -1 3 352.785 3.108 20 0 FGADHM O=C(Nc1nccn1Cc1ccccc1Cl)c1cccc2[n-]nnc21 ZINC000188009799 496650354 /nfs/dbraw/zinc/65/03/54/496650354.db2.gz WGFOVFYZGCRMGH-UHFFFAOYSA-N -1 3 352.785 3.108 20 0 FGADHM O=C(Nc1nccn1Cc1ccccc1Cl)c1cccc2n[n-]nc21 ZINC000188009799 496650359 /nfs/dbraw/zinc/65/03/59/496650359.db2.gz WGFOVFYZGCRMGH-UHFFFAOYSA-N -1 3 352.785 3.108 20 0 FGADHM CCOC(=O)c1cccc(S(=O)(=O)[N-]c2ccnc(C)c2Cl)c1 ZINC000165277175 496654038 /nfs/dbraw/zinc/65/40/38/496654038.db2.gz WERVWZFBNKNFBY-UHFFFAOYSA-N -1 3 354.815 3.021 20 0 FGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ncc(Cc2ccccc2)s1 ZINC000176040787 496655474 /nfs/dbraw/zinc/65/54/74/496655474.db2.gz QIJKFGBFSKVWLA-UHFFFAOYSA-N -1 3 372.475 3.100 20 0 FGADHM Cc1cccc(S(=O)(=O)[N-]Cc2nc(-c3cccs3)c[nH]2)c1F ZINC000578087915 505858251 /nfs/dbraw/zinc/85/82/51/505858251.db2.gz LUUFVNRWSAWXTI-UHFFFAOYSA-N -1 3 351.428 3.064 20 0 FGADHM 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20 0 FGADHM Cc1ccc(CN[C@H](CC(=O)OC(C)(C)C)C(=O)[O-])cc1Br ZINC000277450222 496776594 /nfs/dbraw/zinc/77/65/94/496776594.db2.gz UZBYOJMUFOFNCG-CYBMUJFWSA-N -1 3 372.259 3.032 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)N1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000194982568 496780864 /nfs/dbraw/zinc/78/08/64/496780864.db2.gz SZOLOPYNKVCRTR-UHFFFAOYSA-N -1 3 374.387 3.475 20 0 FGADHM CCCCOc1ccc(CN[C@@H](C(=O)[O-])c2ccc(O)cc2)cc1OC ZINC000277469612 496783421 /nfs/dbraw/zinc/78/34/21/496783421.db2.gz VYJILDFPSFWRLV-LJQANCHMSA-N -1 3 359.422 3.495 20 0 FGADHM COc1ccc([O-])c(-c2nc([C@@H]3CN(Cc4ccccc4)CCO3)no2)c1 ZINC000273386510 496791667 /nfs/dbraw/zinc/79/16/67/496791667.db2.gz HCIWSQHAUAMGKV-SFHVURJKSA-N -1 3 367.405 3.024 20 0 FGADHM Cc1nn2c(nnc2SCc2nc(C3CCCCC3)cs2)[n-]c1=O ZINC000277496732 496792203 /nfs/dbraw/zinc/79/22/03/496792203.db2.gz DCBCTZBKBZWVIY-UHFFFAOYSA-N -1 3 362.484 3.330 20 0 FGADHM COc1cccc(-c2nc(C3(NC(=O)OC(C)(C)C)CCC3)no2)c1[O-] ZINC000273400327 496795944 /nfs/dbraw/zinc/79/59/44/496795944.db2.gz KKKAQVFTTSZBKG-UHFFFAOYSA-N -1 3 361.398 3.355 20 0 FGADHM Cc1nccn1C[C@@H](C)CNC(=O)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000188464119 496798208 /nfs/dbraw/zinc/79/82/08/496798208.db2.gz DRXGWXFKGQNVDE-JTQLQIEISA-N -1 3 363.874 3.363 20 0 FGADHM COc1cccc([C@@H](CC(=O)[O-])NCc2cccc3cc[nH]c32)c1OC ZINC000277530998 496803941 /nfs/dbraw/zinc/80/39/41/496803941.db2.gz ZFJHNYDMIPOGHK-MRXNPFEDSA-N -1 3 354.406 3.491 20 0 FGADHM CC(C)(C)OC(=O)c1ccc(NC([O-])=NOCc2cccnc2)c(F)c1 ZINC000273484330 496819786 /nfs/dbraw/zinc/81/97/86/496819786.db2.gz VKKZPCGDQSRRMH-UHFFFAOYSA-N -1 3 361.373 3.429 20 0 FGADHM CC(C)(C)OC(=O)c1ccc(NC(=O)[N-]OCc2cccnc2)c(F)c1 ZINC000273484330 496819790 /nfs/dbraw/zinc/81/97/90/496819790.db2.gz VKKZPCGDQSRRMH-UHFFFAOYSA-N -1 3 361.373 3.429 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-][C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273525823 496830854 /nfs/dbraw/zinc/83/08/54/496830854.db2.gz PLHQSEIYJGSZQG-UKRRQHHQSA-N -1 3 371.455 3.094 20 0 FGADHM CC[C@@H](C)[C@H]([N-]S(=O)(=O)c1ccc(F)c(NC(C)=O)c1)C(F)(F)F ZINC000277681593 496851502 /nfs/dbraw/zinc/85/15/02/496851502.db2.gz JJJYMHMCEFWAQU-OQPBUACISA-N -1 3 370.368 3.039 20 0 FGADHM CC[C@@H](C)[C@@H]([N-]S(=O)(=O)c1ccc2[nH]c(=O)ccc2c1)C(F)(F)F ZINC000277688715 496853638 /nfs/dbraw/zinc/85/36/38/496853638.db2.gz KCQLAHDOWCRMJR-YMTOWFKASA-N -1 3 362.373 3.196 20 0 FGADHM O=S(=O)([N-]CCCOc1ccc(Cl)cc1Cl)c1ccco1 ZINC000188642113 496862761 /nfs/dbraw/zinc/86/27/61/496862761.db2.gz UGVAEKBGAREYLA-UHFFFAOYSA-N -1 3 350.223 3.334 20 0 FGADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1occc1COc1ccccc1 ZINC000247481370 496868972 /nfs/dbraw/zinc/86/89/72/496868972.db2.gz JANBFSKRNLTJGC-UHFFFAOYSA-N -1 3 352.272 3.248 20 0 FGADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1occc1COc1ccccc1 ZINC000247481370 496868974 /nfs/dbraw/zinc/86/89/74/496868974.db2.gz JANBFSKRNLTJGC-UHFFFAOYSA-N -1 3 352.272 3.248 20 0 FGADHM CCOc1cc(-c2noc(-c3ccc4c(c3)CCC(=O)N4C)n2)ccc1[O-] ZINC000277754718 496875579 /nfs/dbraw/zinc/87/55/79/496875579.db2.gz BGNZKZCZDRRBOB-UHFFFAOYSA-N -1 3 365.389 3.417 20 0 FGADHM O=S(=O)(Cc1ccc(C(F)F)cc1)c1nnc(Cc2ccccc2)[n-]1 ZINC000195287243 496876335 /nfs/dbraw/zinc/87/63/35/496876335.db2.gz LOGSPCFNHPFQIL-UHFFFAOYSA-N -1 3 363.389 3.307 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CC(C)(C)CC(C)=O)c2)n1 ZINC000191748167 496876801 /nfs/dbraw/zinc/87/68/01/496876801.db2.gz HJDBKDHPJZULLX-UHFFFAOYSA-N -1 3 355.438 3.333 20 0 FGADHM CC(C)c1nnc2n1CCN(C(=O)c1ccc3c(c1[O-])CCCC3)[C@H]2C ZINC000188690061 496878441 /nfs/dbraw/zinc/87/84/41/496878441.db2.gz CONTXQHNIXAHIG-ZDUSSCGKSA-N -1 3 354.454 3.203 20 0 FGADHM CCCc1noc(CCCc2nc(-c3ccc([O-])c(OCC)c3)no2)n1 ZINC000277763884 496879387 /nfs/dbraw/zinc/87/93/87/496879387.db2.gz BVNILVIKWDTDLU-UHFFFAOYSA-N -1 3 358.398 3.352 20 0 FGADHM O=S(=O)([N-]c1ccncc1F)c1ccc(Cl)c(Br)c1 ZINC000191758691 496879724 /nfs/dbraw/zinc/87/97/24/496879724.db2.gz DVDOJCSHBMBBFY-UHFFFAOYSA-N -1 3 365.611 3.437 20 0 FGADHM 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ZINC000274809210 497171332 /nfs/dbraw/zinc/17/13/32/497171332.db2.gz UJVZSGRHVFBCIE-OAHLLOKOSA-N -1 3 369.849 3.400 20 0 FGADHM CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)[N-]O[C@@H]2CCCCO2)c1 ZINC000274809210 497171335 /nfs/dbraw/zinc/17/13/35/497171335.db2.gz UJVZSGRHVFBCIE-OAHLLOKOSA-N -1 3 369.849 3.400 20 0 FGADHM O=C([N-]OC[C@H]1CCOC1)Nc1cccc(C[S@@](=O)c2ccccc2)c1 ZINC000189605550 497179387 /nfs/dbraw/zinc/17/93/87/497179387.db2.gz KJLWABXIOMQQPV-YHAMSUFESA-N -1 3 374.462 3.084 20 0 FGADHM O=C([N-]OC[C@H]1CCOC1)Nc1cccc(C[S@](=O)c2ccccc2)c1 ZINC000189605518 497179649 /nfs/dbraw/zinc/17/96/49/497179649.db2.gz KJLWABXIOMQQPV-QMTYFTJSSA-N -1 3 374.462 3.084 20 0 FGADHM O=C1[C@H]([N-]c2nnc(C(F)F)s2)CCN1c1ccc(Cl)c(F)c1 ZINC000270690366 497180227 /nfs/dbraw/zinc/18/02/27/497180227.db2.gz FLINATHQPBGNNU-SECBINFHSA-N -1 3 362.764 3.486 20 0 FGADHM CN(C)Cc1c2ccccc2oc1C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000237047068 497183761 /nfs/dbraw/zinc/18/37/61/497183761.db2.gz XZBLMFCNVSWWNI-UHFFFAOYSA-N -1 3 352.390 3.123 20 0 FGADHM COc1cc(N[C@H]2CCCN([C@@H](C)c3nc(C)cc(=O)[n-]3)C2)cc(OC)c1 ZINC000192690330 497185712 /nfs/dbraw/zinc/18/57/12/497185712.db2.gz LWKOIQYLKBSPGH-GJZGRUSLSA-N -1 3 372.469 3.145 20 0 FGADHM CC[C@@H](C)N(CC(=O)[O-])C(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000237048065 497185690 /nfs/dbraw/zinc/18/56/90/497185690.db2.gz BQNGLSFTQGEAFJ-SJORKVTESA-N -1 3 360.498 3.041 20 0 FGADHM CCN1CC[C@H]([N-]S(=O)(=O)c2ccco2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000249286259 497187180 /nfs/dbraw/zinc/18/71/80/497187180.db2.gz PMNWNSVGCUMINU-GOEBONIOSA-N -1 3 372.849 3.186 20 0 FGADHM CCc1ccc(C(=O)NCc2cccc(CN3CCCC3=O)c2)c([O-])c1 ZINC000189648251 497195231 /nfs/dbraw/zinc/19/52/31/497195231.db2.gz BVRNHEKPXOXNGU-UHFFFAOYSA-N -1 3 352.434 3.007 20 0 FGADHM Cc1ccc(NC(=O)[C@H]2CC[C@H](C(F)(F)F)[N-]C2=O)cc1C(F)(F)F ZINC000192735957 497198978 /nfs/dbraw/zinc/19/89/78/497198978.db2.gz IZICFHJFJUFNAA-MWLCHTKSSA-N -1 3 368.277 3.409 20 0 FGADHM COc1ccc(Cn2ccc(NC(=O)c3c[n-]c4ccccc4c3=O)n2)cc1 ZINC000189672829 497206526 /nfs/dbraw/zinc/20/65/26/497206526.db2.gz IWEXFEWSVBXFMC-UHFFFAOYSA-N -1 3 374.400 3.034 20 0 FGADHM COc1ccc(Cn2ccc(NC(=O)c3cnc4ccccc4c3[O-])n2)cc1 ZINC000189672829 497206531 /nfs/dbraw/zinc/20/65/31/497206531.db2.gz IWEXFEWSVBXFMC-UHFFFAOYSA-N -1 3 374.400 3.034 20 0 FGADHM Cc1cnccc1OC1CCN(C(=O)c2cc(=O)c3ccccc3[n-]2)CC1 ZINC000278753627 497209181 /nfs/dbraw/zinc/20/91/81/497209181.db2.gz UPBFQNKZMNPHFB-UHFFFAOYSA-N -1 3 363.417 3.327 20 0 FGADHM Cc1ccc(NC(=O)Nc2cccc3c2CCN([C@H](C)C(=O)[O-])C3)cc1 ZINC000237401172 497230729 /nfs/dbraw/zinc/23/07/29/497230729.db2.gz LGLNAWPTIFYPIM-CQSZACIVSA-N -1 3 353.422 3.470 20 0 FGADHM Cc1cccnc1C(F)(F)C(=O)[N-][C@H](C)c1ccc([S@](C)=O)cc1 ZINC000278820005 497231575 /nfs/dbraw/zinc/23/15/75/497231575.db2.gz SZRCKJUIYYNEEE-YYUOZPCZSA-N -1 3 352.406 3.097 20 0 FGADHM COc1cc(C(=O)Nc2cccc(N3CCCCC3=O)c2)cc(OC)c1[O-] ZINC000271011731 497245685 /nfs/dbraw/zinc/24/56/85/497245685.db2.gz MPCHEMBJAPGNAP-UHFFFAOYSA-N -1 3 370.405 3.179 20 0 FGADHM O=C(CNC(=O)c1cccc([O-])c1)N1CCCC[C@H]1c1ccc(F)cc1 ZINC000275171499 497248804 /nfs/dbraw/zinc/24/88/04/497248804.db2.gz SMZMQPKYEXVQLW-SFHVURJKSA-N -1 3 356.397 3.015 20 0 FGADHM Cc1c(C(=O)[N-]c2nnc(-c3ccco3)s2)nnn1CC1CCCC1 ZINC000278902850 497261466 /nfs/dbraw/zinc/26/14/66/497261466.db2.gz APWVEBNAPPDEPC-UHFFFAOYSA-N -1 3 358.427 3.141 20 0 FGADHM COc1cc(-c2noc(-c3nnn(CC4CCCC4)c3C)n2)ccc1[O-] ZINC000278906775 497262140 /nfs/dbraw/zinc/26/21/40/497262140.db2.gz YZSBXAVZMYUUND-UHFFFAOYSA-N -1 3 355.398 3.208 20 0 FGADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1cccc2c1CN(CC(F)(F)F)C2 ZINC000193022158 497277783 /nfs/dbraw/zinc/27/77/83/497277783.db2.gz AXMRMLFLNCIRJJ-CQSZACIVSA-N -1 3 359.348 3.144 20 0 FGADHM O=C([N-]O[C@@H]1CCCCO1)Nc1cccc2c1CN(CC(F)(F)F)C2 ZINC000193022158 497277788 /nfs/dbraw/zinc/27/77/88/497277788.db2.gz AXMRMLFLNCIRJJ-CQSZACIVSA-N -1 3 359.348 3.144 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)C3([NH3+])CCCC3)cc2)cc1 ZINC000237857572 497302804 /nfs/dbraw/zinc/30/28/04/497302804.db2.gz STQPXXZUZMGHDT-UHFFFAOYSA-N -1 3 373.478 3.006 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)C3(N)CCCC3)cc2)cc1 ZINC000237857572 497302810 /nfs/dbraw/zinc/30/28/10/497302810.db2.gz STQPXXZUZMGHDT-UHFFFAOYSA-N -1 3 373.478 3.006 20 0 FGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]C1(c2ccccc2)CCC1 ZINC000189981663 497314303 /nfs/dbraw/zinc/31/43/03/497314303.db2.gz CELLUZNDSHCKNG-UHFFFAOYSA-N -1 3 365.476 3.201 20 0 FGADHM O=C1CCCc2cc([N-]S(=O)(=O)c3ccc4c(c3)CCCO4)ccc2N1 ZINC000271296924 497314607 /nfs/dbraw/zinc/31/46/07/497314607.db2.gz HELINDLTNDXYAO-UHFFFAOYSA-N -1 3 372.446 3.087 20 0 FGADHM Cc1nc2ccccc2cc1C(=O)Nc1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000193236798 497330384 /nfs/dbraw/zinc/33/03/84/497330384.db2.gz LMONFGHIABJSOD-UHFFFAOYSA-N -1 3 373.409 3.306 20 0 FGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@@H]1CC[C@H](C)C[C@H]1C ZINC000253542541 497337589 /nfs/dbraw/zinc/33/75/89/497337589.db2.gz BMUQBIIMWVAXNQ-PMUMKWKESA-N -1 3 368.481 3.426 20 0 FGADHM COC(=O)c1cc([N-]C(=O)c2ccoc2Br)c(F)cc1F ZINC000193308132 497346273 /nfs/dbraw/zinc/34/62/73/497346273.db2.gz YITGGZBSHDJINW-UHFFFAOYSA-N -1 3 360.110 3.359 20 0 FGADHM CO[C@@H](C)CS(=O)(=O)[N-]c1cccc(NC(=O)c2ccccc2)c1C ZINC000193317259 497348167 /nfs/dbraw/zinc/34/81/67/497348167.db2.gz FCBVHVSZUWGTLQ-ZDUSSCGKSA-N -1 3 362.451 3.024 20 0 FGADHM C[C@@H](C(=O)NCCCNC(=O)c1cccc([O-])c1)c1cccc(Cl)c1 ZINC000266486467 497354175 /nfs/dbraw/zinc/35/41/75/497354175.db2.gz DEDHSDRKSGRGPS-CYBMUJFWSA-N -1 3 360.841 3.085 20 0 FGADHM CCOC(=O)c1ccsc1[N-]C(=O)C(=O)N(C)C[C@H](C)c1ccccc1 ZINC000266610765 497382310 /nfs/dbraw/zinc/38/23/10/497382310.db2.gz ZVJGVGGKUONUPA-ZDUSSCGKSA-N -1 3 374.462 3.125 20 0 FGADHM CN(Cc1ccc([S@@](C)=O)cc1)C(=O)c1cc([O-])ccc1C(F)(F)F ZINC000193450953 497383651 /nfs/dbraw/zinc/38/36/51/497383651.db2.gz WBMIJGZFXGIWEU-RUZDIDTESA-N -1 3 371.380 3.421 20 0 FGADHM CCOC(=O)c1ccsc1[N-]C(=O)C(=O)Nc1ccc(C)c(CC)c1 ZINC000190172559 497385657 /nfs/dbraw/zinc/38/56/57/497385657.db2.gz WTSARMNZMPJXBL-UHFFFAOYSA-N -1 3 360.435 3.373 20 0 FGADHM O=C(NCc1cccc(NC(=O)C2CCCC2)c1)c1ccc(O)cc1[O-] ZINC000193459148 497386036 /nfs/dbraw/zinc/38/60/36/497386036.db2.gz NZBJHGHHDHLOJV-UHFFFAOYSA-N -1 3 354.406 3.157 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCc2ccccc2F)c1 ZINC000193463275 497386408 /nfs/dbraw/zinc/38/64/08/497386408.db2.gz OTHDUUCHUMVYER-UHFFFAOYSA-N -1 3 369.352 3.010 20 0 FGADHM Cc1ccc(NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)c(Cl)c1 ZINC000193479137 497391035 /nfs/dbraw/zinc/39/10/35/497391035.db2.gz NOVLWHASEQWZQL-UHFFFAOYSA-N -1 3 373.840 3.344 20 0 FGADHM CCCCOc1ccc(C(=O)NCCCc2nc(C(C)C)no2)c([O-])c1 ZINC000190230103 497407749 /nfs/dbraw/zinc/40/77/49/497407749.db2.gz GLKHLRPSHGBQBZ-UHFFFAOYSA-N -1 3 361.442 3.440 20 0 FGADHM COC(=O)c1cnc(SCC(=O)N(C)[C@H](C)c2ccc(Cl)cc2)[n-]1 ZINC000193550564 497411445 /nfs/dbraw/zinc/41/14/45/497411445.db2.gz YGFYPSIYYHGAGR-SNVBAGLBSA-N -1 3 367.858 3.161 20 0 FGADHM COc1cccc(C[C@H](C)[N-]S(=O)(=O)c2ccc(F)cc2Cl)c1 ZINC000261481491 497414341 /nfs/dbraw/zinc/41/43/41/497414341.db2.gz VKRHOYOADXEXFJ-NSHDSACASA-N -1 3 357.834 3.397 20 0 FGADHM COC(=O)c1cc(NC([O-])=NOC2CCCC2)ccc1Br ZINC000271695047 497421173 /nfs/dbraw/zinc/42/11/73/497421173.db2.gz LECJZUVZUDBSKY-UHFFFAOYSA-N -1 3 357.204 3.231 20 0 FGADHM COC(=O)c1cc(NC(=O)[N-]OC2CCCC2)ccc1Br ZINC000271695047 497421177 /nfs/dbraw/zinc/42/11/77/497421177.db2.gz LECJZUVZUDBSKY-UHFFFAOYSA-N -1 3 357.204 3.231 20 0 FGADHM O=C(N[C@H]1CCO[C@]2(CCSC2)C1)c1cc([O-])ccc1C(F)(F)F ZINC000193599980 497424591 /nfs/dbraw/zinc/42/45/91/497424591.db2.gz YMEADAXUMFIYQW-ZUZCIYMTSA-N -1 3 361.385 3.196 20 0 FGADHM O=C(Nc1ccc(N2CCCC2=O)cn1)c1cc([O-])ccc1C(F)(F)F ZINC000193618666 497428906 /nfs/dbraw/zinc/42/89/06/497428906.db2.gz FYFXQBJIMLRREA-UHFFFAOYSA-N -1 3 365.311 3.185 20 0 FGADHM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCO[C@@H](C(C)C)C2)c1 ZINC000271725363 497430020 /nfs/dbraw/zinc/43/00/20/497430020.db2.gz UKGOZJFGTRMIKP-DZGCQCFKSA-N -1 3 359.875 3.025 20 0 FGADHM CCC(CC)c1nnc(NC(=O)c2c(C)[n-]c(=O)nc2SC)s1 ZINC000267044905 497475817 /nfs/dbraw/zinc/47/58/17/497475817.db2.gz UZLZHMUHODSWBX-UHFFFAOYSA-N -1 3 353.473 3.220 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)NCc2nc3ccccc3n2C(C)C)c1 ZINC000267109439 497486623 /nfs/dbraw/zinc/48/66/23/497486623.db2.gz BLPKWNPLGSXKCD-UHFFFAOYSA-N -1 3 366.421 3.211 20 0 FGADHM CC(C)CN(C(=O)c1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1)c1ccccc1 ZINC000267200045 497501911 /nfs/dbraw/zinc/50/19/11/497501911.db2.gz DUKOOIKAGRVHHQ-NRFANRHFSA-N -1 3 365.433 3.044 20 0 FGADHM C[C@]1(c2cccc(NC(=O)[C@@H]3CC[C@H]4CCCC[C@@H]4C3)c2)NC(=O)[N-]C1=O ZINC000245740332 497523096 /nfs/dbraw/zinc/52/30/96/497523096.db2.gz VAPVXPIUMSBVKM-UVUXSLJKSA-N -1 3 369.465 3.286 20 0 FGADHM Cc1csc([C@@](O)(CC(=O)Nc2cc(F)ccc2[O-])C(F)(F)F)n1 ZINC000267377226 497537438 /nfs/dbraw/zinc/53/74/38/497537438.db2.gz TZLPNUWCKWAMGF-ZDUSSCGKSA-N -1 3 364.320 3.075 20 0 FGADHM O=C([N-]OC[C@@H]1CCOC1)Nc1ccc(OC(F)F)c(C(F)(F)F)c1 ZINC000194111037 497577379 /nfs/dbraw/zinc/57/73/79/497577379.db2.gz OJZMYLBULDYUKS-MRVPVSSYSA-N -1 3 370.274 3.396 20 0 FGADHM CO[C@@H](C)c1nc(C[N-]S(=O)(=O)c2cc(F)ccc2Cl)cs1 ZINC000267615561 497588952 /nfs/dbraw/zinc/58/89/52/497588952.db2.gz JDBDVZUJVGDHAH-QMMMGPOBSA-N -1 3 364.851 3.122 20 0 FGADHM O=C(Nc1cccc(OC[C@@H]2CCCO2)c1)c1n[n-]nc1-c1ccccc1 ZINC000194163140 497591593 /nfs/dbraw/zinc/59/15/93/497591593.db2.gz WLLXYCCSVZDOQQ-KRWDZBQOSA-N -1 3 364.405 3.282 20 0 FGADHM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]CC1(C)CCC1 ZINC000190758445 497595952 /nfs/dbraw/zinc/59/59/52/497595952.db2.gz SLNMGPDXEOSOMI-LBPRGKRZSA-N -1 3 361.891 3.222 20 0 FGADHM O=S(=O)([N-][C@@H]1CCC[C@@H]2OCC[C@H]21)c1cc(Cl)ccc1Cl ZINC000246016074 497597065 /nfs/dbraw/zinc/59/70/65/497597065.db2.gz MCTMBJSCWWKKLJ-UHTWSYAYSA-N -1 3 350.267 3.229 20 0 FGADHM CCCC[C@H](NCc1cc(OC)c(OC)cc1Br)C(=O)[O-] ZINC000262685251 497599506 /nfs/dbraw/zinc/59/95/06/497599506.db2.gz DEBBVZOZIZRNSD-LBPRGKRZSA-N -1 3 360.248 3.199 20 0 FGADHM COc1c(F)cc([N-]S(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)cc1F ZINC000194221776 497605240 /nfs/dbraw/zinc/60/52/40/497605240.db2.gz AWJBIWHARJIEKP-BTDLBPIBSA-N -1 3 373.421 3.111 20 0 FGADHM O=S(=O)([N-][C@@H]1CCC[C@H]2OCC[C@H]21)c1ccc(Cl)c(Cl)c1 ZINC000246062062 497608955 /nfs/dbraw/zinc/60/89/55/497608955.db2.gz WGGWRNPCFDMMPB-ZLKJLUDKSA-N -1 3 350.267 3.229 20 0 FGADHM CCc1ccc([O-])c(C(=O)N2CCN(c3cncc4ccccc43)CC2)c1 ZINC000194288297 497624943 /nfs/dbraw/zinc/62/49/43/497624943.db2.gz JWHOXOYEQHYAGT-UHFFFAOYSA-N -1 3 361.445 3.465 20 0 FGADHM Cc1cc(C(=O)N[C@@H](C)C(=O)Nc2cccc(N3CCCC3)c2)ccc1[O-] ZINC000272431208 497627556 /nfs/dbraw/zinc/62/75/56/497627556.db2.gz LJTLZLNPPBMIHM-HNNXBMFYSA-N -1 3 367.449 3.058 20 0 FGADHM Cc1ccc2c(ncc(C(=O)[O-])c2N2CC[S@@](=O)C(C)(C)CC2)c1C ZINC000578364648 505923092 /nfs/dbraw/zinc/92/30/92/505923092.db2.gz BYJOJHWCBPFAOL-RUZDIDTESA-N -1 3 360.479 3.287 20 0 FGADHM CC(C)[C@H](C(=O)N[C@@H](CCC(=O)[O-])Cc1ccccc1)N1CCCCC1 ZINC000263050935 497691319 /nfs/dbraw/zinc/69/13/19/497691319.db2.gz FKXMHFUNQUWUEQ-AZUAARDMSA-N -1 3 360.498 3.089 20 0 FGADHM CCN(Cc1c[nH]c2ccccc12)C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000191056419 497696382 /nfs/dbraw/zinc/69/63/82/497696382.db2.gz FHCPDYSESXZWGS-UHFFFAOYSA-N -1 3 362.389 3.106 20 0 FGADHM COC(=O)CCCc1nnc([N-]C(=O)c2cc(F)cc(Cl)c2)s1 ZINC000268204727 497700642 /nfs/dbraw/zinc/70/06/42/497700642.db2.gz UPLNLTRNWJYRLR-UHFFFAOYSA-N -1 3 357.794 3.079 20 0 FGADHM Cc1ccc([O-])c(C(=O)N2CCN(c3nc4ccccc4s3)CC2)c1 ZINC000194635806 497724631 /nfs/dbraw/zinc/72/46/31/497724631.db2.gz BWNZNLDONGCFET-UHFFFAOYSA-N -1 3 353.447 3.273 20 0 FGADHM CCO[C@H](C)c1nc(Cc2nc(-c3ccc4n[n-]nc4c3)no2)cs1 ZINC000575128896 505926680 /nfs/dbraw/zinc/92/66/80/505926680.db2.gz WUEJNBLRKCFLIA-SECBINFHSA-N -1 3 356.411 3.153 20 0 FGADHM O=S(=O)([N-]Cc1noc(-c2ccccc2)n1)c1ccc(F)cc1Cl ZINC000194725283 497750771 /nfs/dbraw/zinc/75/07/71/497750771.db2.gz FSWJGEWZVOJZDZ-UHFFFAOYSA-N -1 3 367.789 3.008 20 0 FGADHM C[C@H](CN(C)[C@H](C)C(=O)Nc1ccc(Oc2ccccc2)cc1)C(=O)[O-] ZINC000263321930 497758138 /nfs/dbraw/zinc/75/81/38/497758138.db2.gz JTIHBSXOGPJJME-HUUCEWRRSA-N -1 3 356.422 3.458 20 0 FGADHM Cc1cccc(CC2(O)CCN(C(=O)NCc3ccc([O-])c(F)c3)CC2)c1 ZINC000280457098 497759696 /nfs/dbraw/zinc/75/96/96/497759696.db2.gz ZLMHDFXMMRFGDW-UHFFFAOYSA-N -1 3 372.440 3.119 20 0 FGADHM C[C@H]1C[C@@H](C(=O)[O-])CN(Cc2nn(-c3ccc(F)cc3)c3c2CCC3)C1 ZINC000263335812 497761319 /nfs/dbraw/zinc/76/13/19/497761319.db2.gz MKUREYYOMBZABX-UONOGXRCSA-N -1 3 357.429 3.043 20 0 FGADHM C[C@H](NC(=O)CN1C[C@H](C)C[C@H](C(=O)[O-])C1)c1ccc(Cl)c(Cl)c1 ZINC000263343184 497763222 /nfs/dbraw/zinc/76/32/22/497763222.db2.gz NYPSLBIDXSEAAD-MDZLAQPJSA-N -1 3 373.280 3.213 20 0 FGADHM CCCN(CCN1CCCCCC1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000263383504 497772274 /nfs/dbraw/zinc/77/22/74/497772274.db2.gz PHWZTASLMRNEKP-UHFFFAOYSA-N -1 3 361.486 3.182 20 0 FGADHM O=C([O-])c1cccc(C(=O)N2CCCN(CCCc3ccccc3)CC2)c1 ZINC000263399764 497777109 /nfs/dbraw/zinc/77/71/09/497777109.db2.gz GGPITJBAQLFBLF-UHFFFAOYSA-N -1 3 366.461 3.166 20 0 FGADHM O=C([O-])[C@H]1CCCN(Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)C1 ZINC000263429269 497781400 /nfs/dbraw/zinc/78/14/00/497781400.db2.gz ROCBYJQVTNTBMC-ZDUSSCGKSA-N -1 3 353.344 3.188 20 0 FGADHM C[C@]1(C(=O)[O-])CCN(Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)C1 ZINC000263465863 497786382 /nfs/dbraw/zinc/78/63/82/497786382.db2.gz CPENLVGQDIZTTA-INIZCTEOSA-N -1 3 353.344 3.188 20 0 FGADHM COc1cc(Cl)c(CN[C@@H](CN2CCCCC2)C(=O)[O-])cc1Cl ZINC000277247683 497787561 /nfs/dbraw/zinc/78/75/61/497787561.db2.gz JQIMMXILIMJORQ-AWEZNQCLSA-N -1 3 361.269 3.031 20 0 FGADHM O=C([O-])c1cccc(CN2CCC[C@H](CNC(=O)c3ccccc3)C2)c1 ZINC000263498187 497791730 /nfs/dbraw/zinc/79/17/30/497791730.db2.gz UMZCROOLAGRZIA-QGZVFWFLSA-N -1 3 352.434 3.027 20 0 FGADHM COc1ccccc1-c1nc(NC(=O)C[C@H]2CCO[C@@H](C(C)C)C2)n[n-]1 ZINC000273057014 497792441 /nfs/dbraw/zinc/79/24/41/497792441.db2.gz WQYBYQJEVQLHDG-XJKSGUPXSA-N -1 3 358.442 3.260 20 0 FGADHM C[C@@H](CC(=O)Nc1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1)c1ccccc1F ZINC000263783608 497815351 /nfs/dbraw/zinc/81/53/51/497815351.db2.gz OWBFDLMYANJXLI-FKIZINRSSA-N -1 3 369.396 3.013 20 0 FGADHM CCCCNC(=O)C1(NC(=O)c2cc(=O)c3ccccc3[n-]2)CCCCC1 ZINC000263804344 497816904 /nfs/dbraw/zinc/81/69/04/497816904.db2.gz MMZDJUDGUDSYJG-UHFFFAOYSA-N -1 3 369.465 3.289 20 0 FGADHM CCCCOCCOCc1cccc(NC([O-])=NOCCSC)c1 ZINC000280612978 497825762 /nfs/dbraw/zinc/82/57/62/497825762.db2.gz SDZDKZCRAORMHZ-UHFFFAOYSA-N -1 3 356.488 3.436 20 0 FGADHM CCCCOCCOCc1cccc(NC(=O)[N-]OCCSC)c1 ZINC000280612978 497825763 /nfs/dbraw/zinc/82/57/63/497825763.db2.gz SDZDKZCRAORMHZ-UHFFFAOYSA-N -1 3 356.488 3.436 20 0 FGADHM CCc1cc(C(=O)Nc2cc(CN3CCOCC3)ccc2C)ccc1[O-] ZINC000292005534 497835795 /nfs/dbraw/zinc/83/57/95/497835795.db2.gz TWBWIQHLGGRGAA-UHFFFAOYSA-N -1 3 354.450 3.348 20 0 FGADHM CCC[C@](C)(CC)c1nc(-c2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)no1 ZINC000575167246 505935267 /nfs/dbraw/zinc/93/52/67/505935267.db2.gz WKSYFCXLPQFSGT-OALUTQOASA-N -1 3 356.426 3.259 20 0 FGADHM CCC[C@@](C)(CC)c1nc(-c2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)no1 ZINC000575167245 505935774 /nfs/dbraw/zinc/93/57/74/505935774.db2.gz WKSYFCXLPQFSGT-MOPGFXCFSA-N -1 3 356.426 3.259 20 0 FGADHM O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2)C1)c1c[n-]c2ccncc2c1=O ZINC000578420998 505935778 /nfs/dbraw/zinc/93/57/78/505935778.db2.gz ZHUMOBZQRJQUTH-UKRRQHHQSA-N -1 3 351.381 3.128 20 0 FGADHM Cc1nc(S(=O)(=O)[C@@H](C)c2nc(-c3ccc(C)c(F)c3)no2)[n-]c1C ZINC000295906482 497848795 /nfs/dbraw/zinc/84/87/95/497848795.db2.gz LVEFZTFKXKGXKO-NSHDSACASA-N -1 3 364.402 3.059 20 0 FGADHM CCC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccc(C)nc2)c1 ZINC000280664373 497849265 /nfs/dbraw/zinc/84/92/65/497849265.db2.gz HASRSTUNJUXOCT-UHFFFAOYSA-N -1 3 352.843 3.115 20 0 FGADHM COc1ccccc1-c1nc(CS(=O)(=O)c2nc(C)c(C)[n-]2)cs1 ZINC000295904171 497849598 /nfs/dbraw/zinc/84/95/98/497849598.db2.gz LQNOXMBFVXRTII-UHFFFAOYSA-N -1 3 363.464 3.133 20 0 FGADHM COC(=O)C(C)(C)c1ccc(S(=O)(=O)[N-]c2cc(C)ccc2F)cc1 ZINC000575196716 505940370 /nfs/dbraw/zinc/94/03/70/505940370.db2.gz VQXANHBXIHDQHM-UHFFFAOYSA-N -1 3 365.426 3.386 20 0 FGADHM COC(=O)c1ccccc1-c1ccc(CN2CC[C@@H](C)[C@H](C(=O)[O-])C2)o1 ZINC000578442681 505940756 /nfs/dbraw/zinc/94/07/56/505940756.db2.gz CVAZVIOSTSVGDP-CXAGYDPISA-N -1 3 357.406 3.276 20 0 FGADHM Cc1ccnc(Cl)c1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)CCC2 ZINC000295996367 497884280 /nfs/dbraw/zinc/88/42/80/497884280.db2.gz PJLFSNJUEKWMDE-UHFFFAOYSA-N -1 3 350.827 3.363 20 0 FGADHM O=c1[n-]c(CN2CCCC3(CCOCC3)C2)nc2c3ccccc3oc21 ZINC000329741242 497885808 /nfs/dbraw/zinc/88/58/08/497885808.db2.gz VWCNSCYLQREECE-UHFFFAOYSA-N -1 3 353.422 3.474 20 0 FGADHM [O-]C(=NO[C@H]1CCCCO1)Nc1cccc2c1CN(c1nccs1)C2 ZINC000364344973 497911708 /nfs/dbraw/zinc/91/17/08/497911708.db2.gz BVIZKPVKIQFBFA-HNNXBMFYSA-N -1 3 360.439 3.243 20 0 FGADHM O=C([N-]O[C@H]1CCCCO1)Nc1cccc2c1CN(c1nccs1)C2 ZINC000364344973 497911715 /nfs/dbraw/zinc/91/17/15/497911715.db2.gz BVIZKPVKIQFBFA-HNNXBMFYSA-N -1 3 360.439 3.243 20 0 FGADHM CC(=O)N1CCC[C@H](CNC(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC000280867939 497929384 /nfs/dbraw/zinc/92/93/84/497929384.db2.gz WMOHWLONFCSVEA-MRXNPFEDSA-N -1 3 368.433 3.173 20 0 FGADHM COC(=O)[C@@H](C)N(C)Cc1nc(=O)c2cc(-c3ccccc3)sc2[n-]1 ZINC000280874289 497931098 /nfs/dbraw/zinc/93/10/98/497931098.db2.gz ZSGIRESVWJHKPE-LLVKDONJSA-N -1 3 357.435 3.057 20 0 FGADHM CN(C)CCc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCC2=O ZINC000296143914 497933710 /nfs/dbraw/zinc/93/37/10/497933710.db2.gz ZZKLSDPNFKEODF-UHFFFAOYSA-N -1 3 372.490 3.111 20 0 FGADHM CC(C)(c1nc(-c2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)no1)C1CCCC1 ZINC000581282162 505950617 /nfs/dbraw/zinc/95/06/17/505950617.db2.gz ATUMWEPSGZDLNX-HXUWFJFHSA-N -1 3 368.437 3.259 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C[C@@H](C)n3ccnc3)c2)n1 ZINC000572367881 505951968 /nfs/dbraw/zinc/95/19/68/505951968.db2.gz LQQNTZWVLYTSDL-CYBMUJFWSA-N -1 3 351.410 3.198 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)C[C@H]1CCCC1(F)F)c1noc(-c2ccccc2)n1 ZINC000296185309 497947780 /nfs/dbraw/zinc/94/77/80/497947780.db2.gz INZUSYUOFWOPMX-DGCLKSJQSA-N -1 3 371.409 3.152 20 0 FGADHM O=C(Cc1ccc([O-])c(F)c1)NC1(c2noc(C(F)(F)F)n2)CCCC1 ZINC000572377572 505954203 /nfs/dbraw/zinc/95/42/03/505954203.db2.gz JAPUEMLHZKWNCF-UHFFFAOYSA-N -1 3 373.306 3.061 20 0 FGADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]C[C@@H]1COc2ccccc21 ZINC000572387384 505956566 /nfs/dbraw/zinc/95/65/66/505956566.db2.gz ZLQLMJKTXGACQD-GFCCVEGCSA-N -1 3 361.394 3.335 20 0 FGADHM Cc1nc(-c2ccc(N3C(=O)N[C@H](c4ccsc4)C3=O)cc2)cc(=O)[n-]1 ZINC000349265794 497971213 /nfs/dbraw/zinc/97/12/13/497971213.db2.gz CALBNKVKIDIDPZ-MRXNPFEDSA-N -1 3 366.402 3.017 20 0 FGADHM CCn1cnc(S(=O)(=O)[N-][C@H]2CC3(CCCC3)Oc3ccccc32)c1 ZINC000330081431 498014606 /nfs/dbraw/zinc/01/46/06/498014606.db2.gz PQOCAEPWUQRPLM-HNNXBMFYSA-N -1 3 361.467 3.018 20 0 FGADHM CN1CC[C@@H](CNC(=O)c2ccc3ccccc3c2[O-])[C@@H]1c1cccnc1 ZINC000364553739 498020691 /nfs/dbraw/zinc/02/06/91/498020691.db2.gz GAZXKDLUZYSOSL-PXNSSMCTSA-N -1 3 361.445 3.363 20 0 FGADHM CC(=O)c1cccc(NC(=O)CCc2nnc(-c3ccccc3)o2)c1[O-] ZINC000575342623 505965385 /nfs/dbraw/zinc/96/53/85/505965385.db2.gz MPEJZJVRJVWOGA-UHFFFAOYSA-N -1 3 351.362 3.216 20 0 FGADHM CO[C@H](c1ccccc1F)[C@H](C)NC(=O)c1c[n-]nc1-c1ccccn1 ZINC000578565989 505969214 /nfs/dbraw/zinc/96/92/14/505969214.db2.gz WFRYLOHIRWTKMV-SGTLLEGYSA-N -1 3 354.385 3.117 20 0 FGADHM CCCOc1ccc(OCCN2Cc3ccccc3C[C@H]2C(=O)[O-])cc1 ZINC000578588482 505973789 /nfs/dbraw/zinc/97/37/89/505973789.db2.gz IEFOWPVSOWTCIU-FQEVSTJZSA-N -1 3 355.434 3.366 20 0 FGADHM O=C([O-])CCN(Cc1cccc(OCC(F)(F)F)c1)C[C@H]1CCCO1 ZINC000572490108 505981865 /nfs/dbraw/zinc/98/18/65/505981865.db2.gz RMCZPUDOUVLJEN-OAHLLOKOSA-N -1 3 361.360 3.083 20 0 FGADHM Cc1ccc(NC(=O)[C@H](CC(C)C)N2C(=O)c3ccccc3C2=O)c([O-])c1 ZINC000301387924 498087505 /nfs/dbraw/zinc/08/75/05/498087505.db2.gz YZAZOQOUXZSPHU-KRWDZBQOSA-N -1 3 366.417 3.350 20 0 FGADHM CCC[C@H](OC)c1noc([C@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000296572318 498101928 /nfs/dbraw/zinc/10/19/28/498101928.db2.gz VFSVZCFZUIVQGF-GWCFXTLKSA-N -1 3 373.862 3.250 20 0 FGADHM CCC1(CC)CN(C(=O)Nc2ccc([N-]S(=O)(=O)CC)c(OC)c2)C1 ZINC000296577579 498105028 /nfs/dbraw/zinc/10/50/28/498105028.db2.gz MGUUOIIBYAXUFE-UHFFFAOYSA-N -1 3 369.487 3.111 20 0 FGADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@@H]1CCC[C@H]1C ZINC000330405204 498126143 /nfs/dbraw/zinc/12/61/43/498126143.db2.gz WCXSJLZPGMZKRD-LDYMZIIASA-N -1 3 366.252 3.064 20 0 FGADHM Cc1nc(C)c(S(=O)(=O)[N-]Cc2ccsc2Br)s1 ZINC000330429070 498131523 /nfs/dbraw/zinc/13/15/23/498131523.db2.gz UWQXATWGPSDYMD-UHFFFAOYSA-N -1 3 367.315 3.062 20 0 FGADHM Cc1ccoc1CN(C)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000292753313 498133397 /nfs/dbraw/zinc/13/33/97/498133397.db2.gz WIQBLNXTSWJBIU-UHFFFAOYSA-N -1 3 353.216 3.398 20 0 FGADHM CCCc1occc1C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000281419881 498144636 /nfs/dbraw/zinc/14/46/36/498144636.db2.gz ZYYWTPSEAISOBL-UHFFFAOYSA-N -1 3 366.439 3.255 20 0 FGADHM C[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000281429937 498148825 /nfs/dbraw/zinc/14/88/25/498148825.db2.gz BSHIBBQPBZYJRK-SECBINFHSA-N -1 3 362.348 3.054 20 0 FGADHM NC(=O)c1ccc(N2CCCCC2)c(NC(=O)c2cc([O-])ccc2Cl)c1 ZINC000292808246 498153695 /nfs/dbraw/zinc/15/36/95/498153695.db2.gz RTWLNHNBWMRWHS-UHFFFAOYSA-N -1 3 373.840 3.387 20 0 FGADHM CCN(CC)C(=O)c1ccc(CNC(=O)c2cc([O-])ccc2Cl)cc1 ZINC000289470589 498159632 /nfs/dbraw/zinc/15/96/32/498159632.db2.gz HVBJSAYAZNGCDE-UHFFFAOYSA-N -1 3 360.841 3.458 20 0 FGADHM CCCCCC[C@@](C)(CCC)C(=O)N1CCO[C@H](CN(C)CC(=O)[O-])C1 ZINC000364831243 498163827 /nfs/dbraw/zinc/16/38/27/498163827.db2.gz SPVSACSFVNBSJL-YLJYHZDGSA-N -1 3 370.534 3.007 20 0 FGADHM COc1cccc(C(=O)N2CCC[C@@H](Cn3cnc4ccccc43)C2)c1[O-] ZINC000364877650 498187979 /nfs/dbraw/zinc/18/79/79/498187979.db2.gz NWAQFVLVZURTPQ-OAHLLOKOSA-N -1 3 365.433 3.303 20 0 FGADHM COc1ccc([O-])c(-c2nc(-c3cnc(C4CCCC4)nc3N)no2)c1 ZINC000292910882 498192590 /nfs/dbraw/zinc/19/25/90/498192590.db2.gz CXZOCRYTKHYGNN-UHFFFAOYSA-N -1 3 353.382 3.148 20 0 FGADHM CCc1cccc(C(=O)N[C@@H](CO)c2ccc(C(F)(F)F)cc2)c1[O-] ZINC000578682188 505995692 /nfs/dbraw/zinc/99/56/92/505995692.db2.gz OZNOPACPETWPBX-HNNXBMFYSA-N -1 3 353.340 3.437 20 0 FGADHM Cc1nn(C(C)C)cc1CN1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000281593157 498205542 /nfs/dbraw/zinc/20/55/42/498205542.db2.gz LSVYBXKBBMNCFK-UHFFFAOYSA-N -1 3 356.470 3.329 20 0 FGADHM CC(C)(O)CON=C([O-])Nc1ccc2nc(Cc3ccccc3)oc2c1 ZINC000285804091 498205622 /nfs/dbraw/zinc/20/56/22/498205622.db2.gz OBMAOTBLILTYIZ-UHFFFAOYSA-N -1 3 355.394 3.243 20 0 FGADHM CC(C)(O)CO[N-]C(=O)Nc1ccc2nc(Cc3ccccc3)oc2c1 ZINC000285804091 498205627 /nfs/dbraw/zinc/20/56/27/498205627.db2.gz OBMAOTBLILTYIZ-UHFFFAOYSA-N -1 3 355.394 3.243 20 0 FGADHM [O-]C(=NOCc1cccnc1)Nc1ccc(Br)c(C2CC2)n1 ZINC000296828357 498212673 /nfs/dbraw/zinc/21/26/73/498212673.db2.gz QZNILMYDIVQCSI-UHFFFAOYSA-N -1 3 363.215 3.370 20 0 FGADHM O=C([N-]OCc1cccnc1)Nc1ccc(Br)c(C2CC2)n1 ZINC000296828357 498212681 /nfs/dbraw/zinc/21/26/81/498212681.db2.gz QZNILMYDIVQCSI-UHFFFAOYSA-N -1 3 363.215 3.370 20 0 FGADHM CCCC(=O)Nc1cccc(-n2c([O-])c(CC(F)(F)F)[nH]c2=O)c1C ZINC000285830174 498214440 /nfs/dbraw/zinc/21/44/40/498214440.db2.gz CKHQHGSQPFXCTP-LLVKDONJSA-N -1 3 357.332 3.111 20 0 FGADHM Cn1nccc1C1=CCN(C(=O)c2cc([O-])ccc2C(F)(F)F)CC1 ZINC000285838614 498215558 /nfs/dbraw/zinc/21/55/58/498215558.db2.gz BNFMVHWPRKWQIK-UHFFFAOYSA-N -1 3 351.328 3.074 20 0 FGADHM CCC(=O)c1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCO[C@@H](C3CC3)C2)c1 ZINC000281620066 498216270 /nfs/dbraw/zinc/21/62/70/498216270.db2.gz ZVCGRIDANHWNCY-CZUORRHYSA-N -1 3 371.886 3.169 20 0 FGADHM COC(=O)c1nc([N-]C(=O)c2nnc(C(C)(C)C)s2)sc1C(C)C ZINC000293036387 498244268 /nfs/dbraw/zinc/24/42/68/498244268.db2.gz OCACQWUUXQSSLR-UHFFFAOYSA-N -1 3 368.484 3.454 20 0 FGADHM C[C@H]1CCN(C(=O)CCc2nc(-c3cccnc3)no2)c2c([O-])cccc21 ZINC000365044430 498270924 /nfs/dbraw/zinc/27/09/24/498270924.db2.gz NHXMQDXITKDHOV-ZDUSSCGKSA-N -1 3 364.405 3.310 20 0 FGADHM CC[C@H](C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)c1ccccc1 ZINC000281803140 498275006 /nfs/dbraw/zinc/27/50/06/498275006.db2.gz TZQNBRRKBLHJOK-HNNXBMFYSA-N -1 3 356.388 3.097 20 0 FGADHM CC(C)c1ccc(C(=O)N2CCN([C@H](C)c3nccs3)CC2)c([O-])c1 ZINC000331224207 498278385 /nfs/dbraw/zinc/27/83/85/498278385.db2.gz AZPAPWOLPDYESI-CQSZACIVSA-N -1 3 359.495 3.491 20 0 FGADHM COc1cc(C)cc(-c2nc(-c3cn(C)nc3C(F)(F)F)no2)c1[O-] ZINC000293137518 498282203 /nfs/dbraw/zinc/28/22/03/498282203.db2.gz WIYBTJUOFKCANF-UHFFFAOYSA-N -1 3 354.288 3.179 20 0 FGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(Cl)c(CN(C)C)c1 ZINC000281824670 498283442 /nfs/dbraw/zinc/28/34/42/498283442.db2.gz XPCOGYSJOVAGIW-UHFFFAOYSA-N -1 3 366.874 3.180 20 0 FGADHM CC1(C)Cc2ccc(C(=O)N3C[C@@H](O)C[C@@H]3c3ccccc3)c([O-])c2O1 ZINC000581535753 506010517 /nfs/dbraw/zinc/01/05/17/506010517.db2.gz VANKVTOIGPGESH-DOTOQJQBSA-N -1 3 353.418 3.054 20 0 FGADHM Cc1cccc([C@@H](C)N2CCC[C@H](c3n[nH]cc3[N-]S(C)(=O)=O)C2)c1 ZINC000360660937 498294488 /nfs/dbraw/zinc/29/44/88/498294488.db2.gz IBZCESWHFNIZAI-ZBFHGGJFSA-N -1 3 362.499 3.030 20 0 FGADHM O=c1[n-]nc(CN2CCC(Oc3cccc(Br)c3)CC2)s1 ZINC000365098281 498295243 /nfs/dbraw/zinc/29/52/43/498295243.db2.gz RGFZFRZOSYYZLX-UHFFFAOYSA-N -1 3 370.272 3.050 20 0 FGADHM CCOc1ccncc1S(=O)(=O)[N-]C[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000331338517 498304623 /nfs/dbraw/zinc/30/46/23/498304623.db2.gz RJKKQKOZGOJZAC-NEPJUHHUSA-N -1 3 366.405 3.127 20 0 FGADHM C[C@@H](O)C[C@H](C)C[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000286156558 498308651 /nfs/dbraw/zinc/30/86/51/498308651.db2.gz XTKYTHGPLMPQDL-DTWKUNHWSA-N -1 3 359.797 3.044 20 0 FGADHM CC(C)(C[N-]S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2)C1CCC1 ZINC000578724876 506006289 /nfs/dbraw/zinc/00/62/89/506006289.db2.gz PQBRIVXREYBKGL-UHFFFAOYSA-N -1 3 370.902 3.329 20 0 FGADHM C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)NCc2nnc(C(F)(F)F)[n-]2)C1 ZINC000331453179 498337264 /nfs/dbraw/zinc/33/72/64/498337264.db2.gz FDRQFXUYKNFRGO-SKDRFNHKSA-N -1 3 371.338 3.255 20 0 FGADHM C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)NCc2n[n-]c(C(F)(F)F)n2)C1 ZINC000331453179 498337267 /nfs/dbraw/zinc/33/72/67/498337267.db2.gz FDRQFXUYKNFRGO-SKDRFNHKSA-N -1 3 371.338 3.255 20 0 FGADHM C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)NCc2nc(C(F)(F)F)n[n-]2)C1 ZINC000331453179 498337272 /nfs/dbraw/zinc/33/72/72/498337272.db2.gz FDRQFXUYKNFRGO-SKDRFNHKSA-N -1 3 371.338 3.255 20 0 FGADHM COc1cc(C(=O)N2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)cc(OC)c1[O-] ZINC000286254273 498340881 /nfs/dbraw/zinc/34/08/81/498340881.db2.gz NKGTZZXITBHLON-DOMZBBRYSA-N -1 3 360.237 3.065 20 0 FGADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCS[C@@H](c2ccccc2)C1 ZINC000361155022 498351572 /nfs/dbraw/zinc/35/15/72/498351572.db2.gz UCZQGWVOJRGEKK-LJQANCHMSA-N -1 3 350.443 3.458 20 0 FGADHM CC(C)c1nsc(Sc2n[n-]c(-c3ccc4c(c3)OCCO4)n2)n1 ZINC000302021405 498372151 /nfs/dbraw/zinc/37/21/51/498372151.db2.gz IGODLGLQYUDWPU-UHFFFAOYSA-N -1 3 361.452 3.369 20 0 FGADHM O=S(=O)([N-]CCCOCC(F)(F)F)c1ccc2ccccc2c1F ZINC000575874492 506023767 /nfs/dbraw/zinc/02/37/67/506023767.db2.gz XNGJGTYBCCIGNW-UHFFFAOYSA-N -1 3 365.348 3.226 20 0 FGADHM COc1ccc(C(=O)NCc2nnc(-c3ccc(Cl)cc3)o2)c([O-])c1 ZINC000361416049 498388724 /nfs/dbraw/zinc/38/87/24/498388724.db2.gz DCGWWMXYVZZSCU-UHFFFAOYSA-N -1 3 359.769 3.034 20 0 FGADHM Cc1ccc(C(=O)Nc2cccc(N3C(=O)N[C@@H](C)C3=O)c2C)c([O-])c1C ZINC000293454231 498390321 /nfs/dbraw/zinc/39/03/21/498390321.db2.gz PPGFKXIWHLUAHO-ZDUSSCGKSA-N -1 3 367.405 3.014 20 0 FGADHM O=C(C[C@@H]1CCCS(=O)(=O)C1)Nc1cc(Cc2ccccc2)ccc1[O-] ZINC000293583433 498420022 /nfs/dbraw/zinc/42/00/22/498420022.db2.gz WSUNFSVEXYEOJM-KRWDZBQOSA-N -1 3 373.474 3.136 20 0 FGADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H]1CCc2cc(Br)ccc21 ZINC000331745219 498439398 /nfs/dbraw/zinc/43/93/98/498439398.db2.gz YIMLQHZCLLWTAD-CYBMUJFWSA-N -1 3 371.256 3.020 20 0 FGADHM CCOCc1ccc(C[N-]S(=O)(=O)c2cccnc2C(F)(F)F)cc1 ZINC000286619617 498455005 /nfs/dbraw/zinc/45/50/05/498455005.db2.gz MNQOKFOPQSBUCG-UHFFFAOYSA-N -1 3 374.384 3.115 20 0 FGADHM CN(C[C@@H]1CCN(C(=O)c2cc([O-])ccc2Cl)C1)C(=O)OC(C)(C)C ZINC000290185448 498455665 /nfs/dbraw/zinc/45/56/65/498455665.db2.gz GKNGMEJHICLRGL-LBPRGKRZSA-N -1 3 368.861 3.375 20 0 FGADHM CC1(C)CN(C(=O)c2c[n-]c3ccccc3c2=O)C[C@@H](C(F)(F)F)O1 ZINC000293765209 498481415 /nfs/dbraw/zinc/48/14/15/498481415.db2.gz QKWSILURBGATCE-ZDUSSCGKSA-N -1 3 354.328 3.122 20 0 FGADHM CC[C@H]1CCC[C@H](NC(=O)NC2CCN(C(=O)c3cccc([O-])c3)CC2)C1 ZINC000365477894 498486718 /nfs/dbraw/zinc/48/67/18/498486718.db2.gz KKRXBXIFYBKMNM-YJBOKZPZSA-N -1 3 373.497 3.265 20 0 FGADHM CCOC(=O)[C@@H]1CCCc2sc([N-]C(=O)c3nc(Cl)cs3)nc21 ZINC000293781743 498487279 /nfs/dbraw/zinc/48/72/79/498487279.db2.gz AJUBYZRTTDJZIK-SSDOTTSWSA-N -1 3 371.871 3.488 20 0 FGADHM CC(C)(C)OC(=O)N1CCC(=CC(=O)NCc2ccc([O-])c(F)c2)CC1 ZINC000293804688 498495086 /nfs/dbraw/zinc/49/50/86/498495086.db2.gz VOOQJMKOIXWWAB-UHFFFAOYSA-N -1 3 364.417 3.105 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N3CCC[C@]3(CO)CC(C)C)c[n-]c12 ZINC000286750043 498498032 /nfs/dbraw/zinc/49/80/32/498498032.db2.gz GVJZPQGENOODNK-HXUWFJFHSA-N -1 3 360.429 3.401 20 0 FGADHM CCCNC(=O)C1CCN(Cc2cc(Cl)c([O-])c(OCC)c2)CC1 ZINC000297582398 498500485 /nfs/dbraw/zinc/50/04/85/498500485.db2.gz DPUYCUBUIRJYLI-UHFFFAOYSA-N -1 3 354.878 3.183 20 0 FGADHM NC(=O)[C@@H]([N-]c1nn2cc(C3CCCC3)nc2s1)c1ccc(F)cc1 ZINC000302523846 498500772 /nfs/dbraw/zinc/50/07/72/498500772.db2.gz JMAAWJCXYUWKPE-AWEZNQCLSA-N -1 3 359.430 3.226 20 0 FGADHM Cc1ccc(N2CCCN(C(=O)c3cc(=O)c4ccccc4[n-]3)CC2)cc1 ZINC000362416168 498512887 /nfs/dbraw/zinc/51/28/87/498512887.db2.gz CJFLQQKNHLZYQH-UHFFFAOYSA-N -1 3 361.445 3.189 20 0 FGADHM CCN(CC)[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1F)c1ccccc1 ZINC000302591115 498514354 /nfs/dbraw/zinc/51/43/54/498514354.db2.gz KFTBQODJJBEBPO-QGZVFWFLSA-N -1 3 368.449 3.326 20 0 FGADHM CN(Cc1ccccc1OC(F)(F)F)C(=O)N=c1cc2ccccn2[n-]1 ZINC000569914705 506046354 /nfs/dbraw/zinc/04/63/54/506046354.db2.gz CPZDPAVTRUSBGV-UHFFFAOYSA-N -1 3 364.327 3.319 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccnn3CC(F)F)c2)n1 ZINC000365534038 498519112 /nfs/dbraw/zinc/51/91/12/498519112.db2.gz KDJPZFYCYZFRCU-UHFFFAOYSA-N -1 3 373.363 3.126 20 0 FGADHM O=S(=O)([N-][C@@H]1CCCC[C@@H]1n1cccn1)c1cc(F)cc(Cl)c1 ZINC000332001502 498528474 /nfs/dbraw/zinc/52/84/74/498528474.db2.gz DPFBTKBKLJWPGH-CABCVRRESA-N -1 3 357.838 3.138 20 0 FGADHM O=C(c1ccccc1[O-])N1CCN(c2ccnc3c(F)cccc23)CC1 ZINC000302677859 498530269 /nfs/dbraw/zinc/53/02/69/498530269.db2.gz NOEDCURJSWXUTA-UHFFFAOYSA-N -1 3 351.381 3.042 20 0 FGADHM C[C@H](O)[C@@H]([N-]S(=O)(=O)CCc1ccc(Cl)cc1)c1ccccc1F ZINC000572771494 506048795 /nfs/dbraw/zinc/04/87/95/506048795.db2.gz JOWLALWBDUERSC-YVEFUNNKSA-N -1 3 371.861 3.063 20 0 FGADHM CC(=O)N1CCC(C(=O)Nc2ccc(C)cc2[O-])(c2ccccc2)CC1 ZINC000362678116 498537774 /nfs/dbraw/zinc/53/77/74/498537774.db2.gz ZXOZVKQAXDRLJR-UHFFFAOYSA-N -1 3 352.434 3.219 20 0 FGADHM COc1cc(C(=O)N2CCC(N3CCc4ccccc43)CC2)ccc1[O-] ZINC000282517998 498542474 /nfs/dbraw/zinc/54/24/74/498542474.db2.gz AWFVOBSWFGWCFK-UHFFFAOYSA-N -1 3 352.434 3.068 20 0 FGADHM O=C(c1c([O-])cnc2ccc(Cl)cc21)N1CCC(n2ccnc2)CC1 ZINC000282541852 498551968 /nfs/dbraw/zinc/55/19/68/498551968.db2.gz SPXFTALQEZRHHM-UHFFFAOYSA-N -1 3 356.813 3.268 20 0 FGADHM CN1C(=O)CC[C@@H](NC(=O)c2cc([O-])ccc2Cl)[C@@H]1c1cccs1 ZINC000365623758 498563451 /nfs/dbraw/zinc/56/34/51/498563451.db2.gz LXQLTWPEJFBSKP-CZUORRHYSA-N -1 3 364.854 3.199 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N[C@H]3c4ccccc4O[C@H]3C)c[n-]c12 ZINC000365659918 498583893 /nfs/dbraw/zinc/58/38/93/498583893.db2.gz CNXRMIQDOJTTQN-BBATYDOGSA-N -1 3 352.365 3.228 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NC[C@@H]2C[C@H]2C2CCC2)c1 ZINC000576029924 506059728 /nfs/dbraw/zinc/05/97/28/506059728.db2.gz GFJZIAQCEPOKNT-ZFWWWQNUSA-N -1 3 369.421 3.107 20 0 FGADHM CC(C)[C@H](O)C1(C[N-]S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000332191366 498595940 /nfs/dbraw/zinc/59/59/40/498595940.db2.gz ZJAWMNXIHBIKGT-ZDUSSCGKSA-N -1 3 352.283 3.069 20 0 FGADHM Cc1nc(Cl)ccc1C(=O)N=c1nc(-c2ccccc2Cl)[n-]n1C ZINC000365685312 498597925 /nfs/dbraw/zinc/59/79/25/498597925.db2.gz FTEQDNCPYBWQPI-UHFFFAOYSA-N -1 3 362.220 3.167 20 0 FGADHM COCCOc1cc(C)ccc1NC(=O)c1[n-]nc2c1cccc2OC ZINC000290564789 498600577 /nfs/dbraw/zinc/60/05/77/498600577.db2.gz ZVUBDNIEWLYLOL-UHFFFAOYSA-N -1 3 355.394 3.157 20 0 FGADHM COCCOc1cc(C)ccc1NC(=O)c1n[n-]c2c1cccc2OC ZINC000290564789 498600582 /nfs/dbraw/zinc/60/05/82/498600582.db2.gz ZVUBDNIEWLYLOL-UHFFFAOYSA-N -1 3 355.394 3.157 20 0 FGADHM C[C@@H]1CN(Cc2cccc(CNCc3c(F)ccc([O-])c3F)c2)CCO1 ZINC000294167027 498608419 /nfs/dbraw/zinc/60/84/19/498608419.db2.gz IZLGADCYUQTBBM-CQSZACIVSA-N -1 3 362.420 3.181 20 0 FGADHM Cc1nc(C)c(CCC(=O)N2CCC[C@@H]2Cc2ccc(F)cc2)c(=O)[n-]1 ZINC000363022869 498609738 /nfs/dbraw/zinc/60/97/38/498609738.db2.gz SIGRRPNYOZMMMH-QGZVFWFLSA-N -1 3 357.429 3.104 20 0 FGADHM CCOc1cc(CN2CCC3(C[C@H]3C(=O)OC)CC2)cc(Cl)c1[O-] ZINC000297997137 498633215 /nfs/dbraw/zinc/63/32/15/498633215.db2.gz ZHNARSVEVUYGEP-ZDUSSCGKSA-N -1 3 353.846 3.219 20 0 FGADHM Cc1nc2c(cccc2C(=O)N=c2nc(-c3ccccc3Cl)[n-]n2C)o1 ZINC000365790261 498641773 /nfs/dbraw/zinc/64/17/73/498641773.db2.gz DMWTVHKBDZBYFC-UHFFFAOYSA-N -1 3 367.796 3.259 20 0 FGADHM [O-]C(=NOC[C@H]1CCOC1)Nc1ccc(F)cc1OCCC(F)(F)F ZINC000282763210 498644705 /nfs/dbraw/zinc/64/47/05/498644705.db2.gz KSKNRRXUJYHUNF-JTQLQIEISA-N -1 3 366.311 3.247 20 0 FGADHM O=C([N-]OC[C@H]1CCOC1)Nc1ccc(F)cc1OCCC(F)(F)F ZINC000282763210 498644712 /nfs/dbraw/zinc/64/47/12/498644712.db2.gz KSKNRRXUJYHUNF-JTQLQIEISA-N -1 3 366.311 3.247 20 0 FGADHM CCOc1cc(CN2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)cc(Cl)c1[O-] ZINC000298034530 498645012 /nfs/dbraw/zinc/64/50/12/498645012.db2.gz GKWYYXFSNXGZAT-LXIYXOSZSA-N -1 3 355.862 3.213 20 0 FGADHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)F)C[C@H](C)O1 ZINC000578989858 506069062 /nfs/dbraw/zinc/06/90/62/506069062.db2.gz VXBGHDBHQNYKKH-DOFRTFSJSA-N -1 3 369.817 3.176 20 0 FGADHM Cc1sccc1CN1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000294336639 498661114 /nfs/dbraw/zinc/66/11/14/498661114.db2.gz AHALCXXGEKASNL-UHFFFAOYSA-N -1 3 356.538 3.061 20 0 FGADHM CCOC(=O)C(C)(C)NCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000298106190 498666537 /nfs/dbraw/zinc/66/65/37/498666537.db2.gz LSKLMJBSJLPEPT-UHFFFAOYSA-N -1 3 371.462 3.495 20 0 FGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2cc(C)cs2)cc1OC ZINC000294371305 498673959 /nfs/dbraw/zinc/67/39/59/498673959.db2.gz HNJGJHPPZKBKPA-UHFFFAOYSA-N -1 3 354.453 3.079 20 0 FGADHM CCc1cc(C(=O)N2CCC[C@@H](C(=O)Nc3ncccc3C)C2)ccc1[O-] ZINC000365880212 498685020 /nfs/dbraw/zinc/68/50/20/498685020.db2.gz DKRVOIBWWKOZBC-QGZVFWFLSA-N -1 3 367.449 3.149 20 0 FGADHM COc1cccc(C(=O)N[C@H]2CCCN(c3ccc(F)cc3C)C2)c1[O-] ZINC000303649787 498702013 /nfs/dbraw/zinc/70/20/13/498702013.db2.gz DMHAZSSRMIJMGV-HNNXBMFYSA-N -1 3 358.413 3.247 20 0 FGADHM COc1ccc(CCNCc2c(F)ccc([O-])c2F)c(OC)c1OC ZINC000294469797 498702173 /nfs/dbraw/zinc/70/21/73/498702173.db2.gz ZKEJIRNDRMWVJB-UHFFFAOYSA-N -1 3 353.365 3.029 20 0 FGADHM [O-]c1ccc(F)c(CNc2ccc(Cc3nnc4n3CCC4)cc2)c1F ZINC000294515388 498716151 /nfs/dbraw/zinc/71/61/51/498716151.db2.gz CGOQNDSWRVKXJA-UHFFFAOYSA-N -1 3 356.376 3.411 20 0 FGADHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CCC(Cc2cccc(F)c2F)CC1 ZINC000572898988 506078934 /nfs/dbraw/zinc/07/89/34/506078934.db2.gz PUEMRJJFLNVKPP-UHFFFAOYSA-N -1 3 373.403 3.433 20 0 FGADHM CC(C)(C)c1cn2c(n1)CC[C@@H](NC(=O)Cc1ccc([O-])cc1Cl)C2 ZINC000332579694 498731899 /nfs/dbraw/zinc/73/18/99/498731899.db2.gz HJXHEBRQUGDWCD-CYBMUJFWSA-N -1 3 361.873 3.213 20 0 FGADHM CC(C)c1cccc(O[C@H](C)C(=O)[N-]c2nncn2-c2cccnc2)c1 ZINC000570120158 506095051 /nfs/dbraw/zinc/09/50/51/506095051.db2.gz NYZWDWFOAUUUIN-CQSZACIVSA-N -1 3 351.410 3.192 20 0 FGADHM CCOc1cc(CNCc2cccnc2OC)cc(Br)c1[O-] ZINC000298417198 498764340 /nfs/dbraw/zinc/76/43/40/498764340.db2.gz PQMAANDHGYCART-UHFFFAOYSA-N -1 3 367.243 3.247 20 0 FGADHM Cc1cccc(S(=O)(=O)[N-]Cc2ccccc2Br)c1F ZINC000313211135 498765781 /nfs/dbraw/zinc/76/57/81/498765781.db2.gz RBGHHHFUGQBPTA-UHFFFAOYSA-N -1 3 358.232 3.375 20 0 FGADHM [O-]c1cccc(CNC[C@H]2CCN(CC(F)(F)F)C2)c1Br ZINC000315055804 498782629 /nfs/dbraw/zinc/78/26/29/498782629.db2.gz PWZAZFGPNGQUPT-SNVBAGLBSA-N -1 3 367.209 3.129 20 0 FGADHM C[C@@H]1c2nnc(C3CCCC3)n2CCN1C(=O)NCc1ccc([O-])c(F)c1 ZINC000287568671 498800152 /nfs/dbraw/zinc/80/01/52/498800152.db2.gz VNQFBLFASYUJBW-GFCCVEGCSA-N -1 3 373.432 3.067 20 0 FGADHM C[C@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)c1noc(-c2ccccc2)n1 ZINC000366175578 498807067 /nfs/dbraw/zinc/80/70/67/498807067.db2.gz ZAIPFFQCTPQZOF-LBPRGKRZSA-N -1 3 360.373 3.069 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3cncnc3N3CCCC3)c[n-]c12 ZINC000287597802 498808640 /nfs/dbraw/zinc/80/86/40/498808640.db2.gz YFEAPHXNICRLAH-UHFFFAOYSA-N -1 3 367.384 3.030 20 0 FGADHM O=C(CCc1ccc2ccccc2c1[O-])N1CCS[C@@H]2COCC[C@@H]21 ZINC000294813301 498814005 /nfs/dbraw/zinc/81/40/05/498814005.db2.gz CDDFSJZMHGJJNI-ZWKOTPCHSA-N -1 3 357.475 3.211 20 0 FGADHM CC(C)(C)OC(=O)[C@H]([N-]S(=O)(=O)CCC1CCC1)c1ccccc1 ZINC000326291450 498842459 /nfs/dbraw/zinc/84/24/59/498842459.db2.gz GLZWFKWBQWODOP-MRXNPFEDSA-N -1 3 353.484 3.179 20 0 FGADHM O=C(c1csc(=O)[n-]1)N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000366257204 498844894 /nfs/dbraw/zinc/84/48/94/498844894.db2.gz NBTITMSFCRTMIQ-VIFPVBQESA-N -1 3 359.234 3.449 20 0 FGADHM O=C([N-]OCC(F)(F)F)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000363525823 498861775 /nfs/dbraw/zinc/86/17/75/498861775.db2.gz SONZSXPDEFVYTB-CYBMUJFWSA-N -1 3 370.293 3.051 20 0 FGADHM O=C(Nc1nnc(-c2cc3ccccc3o2)[n-]1)c1ccc(NC2CC2)nc1 ZINC000573039334 506103618 /nfs/dbraw/zinc/10/36/18/506103618.db2.gz URZZMNISONMAOU-UHFFFAOYSA-N -1 3 360.377 3.440 20 0 FGADHM O=C(Nc1nc(-c2cc3ccccc3o2)n[n-]1)c1ccc(NC2CC2)nc1 ZINC000573039334 506103621 /nfs/dbraw/zinc/10/36/21/506103621.db2.gz URZZMNISONMAOU-UHFFFAOYSA-N -1 3 360.377 3.440 20 0 FGADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)c1ccc(NC2CC2)nc1 ZINC000573039334 506103623 /nfs/dbraw/zinc/10/36/23/506103623.db2.gz URZZMNISONMAOU-UHFFFAOYSA-N -1 3 360.377 3.440 20 0 FGADHM O=C(Nc1cccc(OC[C@@H]2CCCO2)c1)c1c[n-]nc1-c1ccncc1 ZINC000298742132 498866648 /nfs/dbraw/zinc/86/66/48/498866648.db2.gz XLHNOAMZRWPKCC-KRWDZBQOSA-N -1 3 364.405 3.282 20 0 FGADHM O=C(Nc1cccc(OC[C@@H]2CCCO2)c1)c1cn[n-]c1-c1ccncc1 ZINC000298742132 498866657 /nfs/dbraw/zinc/86/66/57/498866657.db2.gz XLHNOAMZRWPKCC-KRWDZBQOSA-N -1 3 364.405 3.282 20 0 FGADHM O=C(Nc1nccs1)[C@@H]1CCCN1C(=O)c1cc([O-])c2ccccc2c1 ZINC000366309991 498869107 /nfs/dbraw/zinc/86/91/07/498869107.db2.gz DZUKEPHEZBMJBP-HNNXBMFYSA-N -1 3 367.430 3.245 20 0 FGADHM CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)c1csc(=O)[n-]1 ZINC000366317712 498871032 /nfs/dbraw/zinc/87/10/32/498871032.db2.gz PLSOHYKTVXYQKD-UHFFFAOYSA-N -1 3 360.414 3.083 20 0 FGADHM COC(=O)c1sc2[n-]c(CN3CCC[C@@H]3c3ccc[nH]3)nc(=O)c2c1C ZINC000298761266 498871159 /nfs/dbraw/zinc/87/11/59/498871159.db2.gz KYEIADSBEVGWJA-GFCCVEGCSA-N -1 3 372.450 3.157 20 0 FGADHM O=C([O-])[C@H](c1ccccc1F)N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000570167811 506106670 /nfs/dbraw/zinc/10/66/70/506106670.db2.gz ABVJYPIVUAUHEB-YJBOKZPZSA-N -1 3 351.418 3.002 20 0 FGADHM Cc1cc(C)c2[n-]cc(C(=O)N3CCOC[C@H](C4CCC4)C3)c(=O)c2c1 ZINC000333080502 498892474 /nfs/dbraw/zinc/89/24/74/498892474.db2.gz LWWWUJPXXHJFCV-MRXNPFEDSA-N -1 3 354.450 3.034 20 0 FGADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CC(Cc2ccc(F)cc2F)C1 ZINC000363614305 498905838 /nfs/dbraw/zinc/90/58/38/498905838.db2.gz RQRAPHPMWNLDBF-UHFFFAOYSA-N -1 3 354.356 3.121 20 0 FGADHM CCc1cc(C(=O)N(CC)CC(=O)Nc2ccccc2OC)ccc1[O-] ZINC000291401600 498925958 /nfs/dbraw/zinc/92/59/58/498925958.db2.gz DOLCFXRLRRSQHP-UHFFFAOYSA-N -1 3 356.422 3.064 20 0 FGADHM CN(Cc1nc2ccsc2c(=O)[n-]1)C(=O)NC[C@H]1CCCC(F)(F)C1 ZINC000283591430 498932054 /nfs/dbraw/zinc/93/20/54/498932054.db2.gz SDJULRIZSYTELH-JTQLQIEISA-N -1 3 370.425 3.364 20 0 FGADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CC[C@]2(C1)CCc1ccccc1O2 ZINC000366461244 498938248 /nfs/dbraw/zinc/93/82/48/498938248.db2.gz ZUUMYOFNPQYOLF-QFIPXVFZSA-N -1 3 360.413 3.138 20 0 FGADHM C[C@H]1[C@@H](N=c2[n-]nc(-c3ccccn3)s2)CCN1Cc1ccccc1 ZINC000576257951 506115133 /nfs/dbraw/zinc/11/51/33/506115133.db2.gz KRODOKHNFRSFPS-HOCLYGCPSA-N -1 3 351.479 3.097 20 0 FGADHM O=S(=O)(C[C@H]1CCCC1(F)F)[N-]Cc1cc(-c2ccccc2)no1 ZINC000295223454 498948526 /nfs/dbraw/zinc/94/85/26/498948526.db2.gz RMAZMNNBOFDUPI-CYBMUJFWSA-N -1 3 356.394 3.196 20 0 FGADHM CC[C@@H]1CN(C(=O)c2cc([O-])c3ccccc3c2)C[C@@]2(CCCOC2)O1 ZINC000366523515 498964013 /nfs/dbraw/zinc/96/40/13/498964013.db2.gz BHBVPMDHYBUCCX-DYESRHJHSA-N -1 3 355.434 3.346 20 0 FGADHM CCc1cc(C(=O)N(CC)CC(=O)Nc2c(F)cccc2F)ccc1[O-] ZINC000291498218 498966271 /nfs/dbraw/zinc/96/62/71/498966271.db2.gz OSZYZBBCFADCDE-UHFFFAOYSA-N -1 3 362.376 3.334 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N3CC[C@@H](n4cc(Cl)cn4)C3)c[n-]c12 ZINC000291510979 498970970 /nfs/dbraw/zinc/97/09/70/498970970.db2.gz IQPSVGGKFOKEDZ-CYBMUJFWSA-N -1 3 374.803 3.325 20 0 FGADHM O=S(=O)(CCCOCc1ccccc1)[N-]c1ccc(C(F)(F)F)nc1 ZINC000573107534 506120754 /nfs/dbraw/zinc/12/07/54/506120754.db2.gz XGFMMDBKRMPXAK-UHFFFAOYSA-N -1 3 374.384 3.449 20 0 FGADHM O=S(=O)([N-]CCc1ccccc1)c1c(F)cccc1OC(F)(F)F ZINC000579215652 506121194 /nfs/dbraw/zinc/12/11/94/506121194.db2.gz VSVLCKIDTXVOJJ-UHFFFAOYSA-N -1 3 363.332 3.245 20 0 FGADHM CCSc1cccc(Br)c1[N-]C(=O)c1cc2n(n1)CCO2 ZINC000291531924 498980030 /nfs/dbraw/zinc/98/00/30/498980030.db2.gz ZVVOWOHHXSUSHT-UHFFFAOYSA-N -1 3 368.256 3.402 20 0 FGADHM CC(C)(C)OC(=O)N1CC[C@@]2(C[C@H]2C(=O)Nc2cccc([O-])c2F)C1 ZINC000363766397 498981961 /nfs/dbraw/zinc/98/19/61/498981961.db2.gz HEKALQMDTJMHBC-BBATYDOGSA-N -1 3 350.390 3.117 20 0 FGADHM O=C([N-]c1ccc(Cl)c(C(=O)NC2CCCCC2)c1)c1cccc[n+]1[O-] ZINC000299164721 498985008 /nfs/dbraw/zinc/98/50/08/498985008.db2.gz UEPYEXMURRNHNR-UHFFFAOYSA-N -1 3 373.840 3.288 20 0 FGADHM CCC(=O)N1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000363792376 498994973 /nfs/dbraw/zinc/99/49/73/498994973.db2.gz FWXLDWNKVDOMTP-MOPGFXCFSA-N -1 3 370.493 3.277 20 0 FGADHM Cc1ccc(C)c([C@H]2CN(C(=O)c3cc(F)cc4[n-]nnc43)[C@H](C)CO2)c1 ZINC000333481333 499014206 /nfs/dbraw/zinc/01/42/06/499014206.db2.gz SKDOMKPKKFLTEZ-FZKQIMNGSA-N -1 3 368.412 3.316 20 0 FGADHM Cc1ccc(C)c([C@H]2CN(C(=O)c3cc(F)cc4nn[n-]c43)[C@H](C)CO2)c1 ZINC000333481333 499014209 /nfs/dbraw/zinc/01/42/09/499014209.db2.gz SKDOMKPKKFLTEZ-FZKQIMNGSA-N -1 3 368.412 3.316 20 0 FGADHM Cc1ccc(C)c([C@H]2CN(C(=O)c3cc(F)cc4n[n-]nc43)[C@H](C)CO2)c1 ZINC000333481333 499014212 /nfs/dbraw/zinc/01/42/12/499014212.db2.gz SKDOMKPKKFLTEZ-FZKQIMNGSA-N -1 3 368.412 3.316 20 0 FGADHM CCc1cc(C(=O)N2CC[C@@H](CN(CC)CC(F)(F)F)C2)ccc1[O-] ZINC000291733519 499050498 /nfs/dbraw/zinc/05/04/98/499050498.db2.gz CIRBRHSDLOLUMB-ZDUSSCGKSA-N -1 3 358.404 3.301 20 0 FGADHM O=S(=O)(CC1CC(F)(F)C1)[N-][C@H](c1nccs1)c1ccccc1 ZINC000295607104 499061437 /nfs/dbraw/zinc/06/14/37/499061437.db2.gz CUOJVUUZKBSKAT-ZDUSSCGKSA-N -1 3 358.435 3.197 20 0 FGADHM O=C(c1cccc([O-])c1)N1CCN(C(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)CC1 ZINC000329191009 499068070 /nfs/dbraw/zinc/06/80/70/499068070.db2.gz RFUZAXNPDOIZDX-LSTHTHJFSA-N -1 3 370.493 3.283 20 0 FGADHM CO[C@@H](CS(=O)(=O)[N-]c1ccc2c(c1)CCCC(=O)N2)c1ccccc1 ZINC000295670240 499076579 /nfs/dbraw/zinc/07/65/79/499076579.db2.gz BEPSORVKBAADHQ-SFHVURJKSA-N -1 3 374.462 3.091 20 0 FGADHM Cc1cccc2c(=O)c(C(=O)N3CC4(CCOCC4)[C@H]3C3CC3)c[n-]c12 ZINC000295708402 499085375 /nfs/dbraw/zinc/08/53/75/499085375.db2.gz YGDQZTNUTYARQA-LJQANCHMSA-N -1 3 352.434 3.280 20 0 FGADHM Cc1nc([C@H]2CCCN2Cc2nc3c4ccccc4oc3c(=O)[n-]2)no1 ZINC000329333898 499101712 /nfs/dbraw/zinc/10/17/12/499101712.db2.gz XENDRYIPAWQPOX-GFCCVEGCSA-N -1 3 351.366 3.110 20 0 FGADHM Cn1ccc(S(=O)(=O)[N-][C@@H](c2c(Cl)cccc2Cl)C2CC2)n1 ZINC000576342152 506135272 /nfs/dbraw/zinc/13/52/72/506135272.db2.gz GMLQDENKAQVROT-CQSZACIVSA-N -1 3 360.266 3.157 20 0 FGADHM CCc1csc(CC(=O)Nc2cccc(-c3nc(C)cc(=O)[n-]3)c2)n1 ZINC000366994757 499131280 /nfs/dbraw/zinc/13/12/80/499131280.db2.gz IRVCDXCURFGYHM-UHFFFAOYSA-N -1 3 354.435 3.358 20 0 FGADHM CC(=O)N1Cc2ccc([N-]S(=O)(=O)c3c(C)cc(C)cc3C)cc2C1 ZINC000370273572 499204637 /nfs/dbraw/zinc/20/46/37/499204637.db2.gz XQFJRJPLQDMKNO-UHFFFAOYSA-N -1 3 358.463 3.275 20 0 FGADHM Cc1n[nH]c(C)c1[C@@H]1COCCN1Cc1cc([O-])ccc1Br ZINC000367541859 499210528 /nfs/dbraw/zinc/21/05/28/499210528.db2.gz LBFDOOKKMGUYRO-HNNXBMFYSA-N -1 3 366.259 3.068 20 0 FGADHM O=C(N[C@H]1C[C@H](c2ccc(Br)cc2)C1)c1csc(=O)[n-]1 ZINC000368340315 499286985 /nfs/dbraw/zinc/28/69/85/499286985.db2.gz KMWJXYAAIMEOCT-HOMQSWHASA-N -1 3 353.241 3.287 20 0 FGADHM [O-]C(=NOCc1ccc(C(F)(F)F)cc1)Nc1cnc2c(c1)COCC2 ZINC000368409137 499293129 /nfs/dbraw/zinc/29/31/29/499293129.db2.gz BNDGMQSRBUOSPS-UHFFFAOYSA-N -1 3 367.327 3.426 20 0 FGADHM O=C([N-]OCc1ccc(C(F)(F)F)cc1)Nc1cnc2c(c1)COCC2 ZINC000368409137 499293130 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MURUMNHDGBDZFV-INIZCTEOSA-N -1 3 350.821 3.146 20 0 FGADHM COC(=O)c1[n-]c(=NC[C@H](c2ccc(C)cc2)N2CCCC2)sc1C ZINC000434099711 500795437 /nfs/dbraw/zinc/79/54/37/500795437.db2.gz KJYSTEJEISJDIK-MRXNPFEDSA-N -1 3 359.495 3.217 20 0 FGADHM CN(C)c1nc(C(=O)N(Cc2ccsc2)c2ccccc2)cc(=O)[n-]1 ZINC000434104317 500796512 /nfs/dbraw/zinc/79/65/12/500796512.db2.gz PBSVVNJBYRADRD-UHFFFAOYSA-N -1 3 354.435 3.157 20 0 FGADHM COc1ccc(CC(C)(C)NC(=O)c2cc(NC(C)=O)ccc2[O-])cc1 ZINC000438525303 500797158 /nfs/dbraw/zinc/79/71/58/500797158.db2.gz CEDGPHSHBNZSFM-UHFFFAOYSA-N -1 3 356.422 3.110 20 0 FGADHM Cc1noc2ncc([N-]C(=O)c3cc(-c4ccc5c(c4)CCO5)no3)cc12 ZINC000434148634 500803358 /nfs/dbraw/zinc/80/33/58/500803358.db2.gz RXXIVJHNUGSYHE-UHFFFAOYSA-N -1 3 362.345 3.373 20 0 FGADHM CCN(CC[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl)C(C)C ZINC000444170007 500812330 /nfs/dbraw/zinc/81/23/30/500812330.db2.gz SOOPYVFNSIZFJB-UHFFFAOYSA-N -1 3 353.315 3.310 20 0 FGADHM CC1(C)C[C@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2F)CCO1 ZINC000444195513 500816439 /nfs/dbraw/zinc/81/64/39/500816439.db2.gz VHMPACDXCFAXBZ-SNVBAGLBSA-N -1 3 355.353 3.080 20 0 FGADHM C[C@@H]1CCCCN1Cc1ccccc1CNC(=O)C(=O)c1ccc([O-])cc1 ZINC000438771362 500818756 /nfs/dbraw/zinc/81/87/56/500818756.db2.gz KLDFKBPIZZNVAL-MRXNPFEDSA-N -1 3 366.461 3.266 20 0 FGADHM O=C(NCC1(CCO)CCCC1)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000444227997 500820009 /nfs/dbraw/zinc/82/00/09/500820009.db2.gz SKUUWROPNLMCTQ-UHFFFAOYSA-N -1 3 367.445 3.296 20 0 FGADHM C[C@@H]1CN(C(=O)c2c[n-]c3c(OC(F)(F)F)cccc3c2=O)C[C@H]1C ZINC000444296556 500831201 /nfs/dbraw/zinc/83/12/01/500831201.db2.gz YYKYOOOEBPYISZ-NXEZZACHSA-N -1 3 354.328 3.155 20 0 FGADHM C[C@H](NC(=O)Cc1ccc([O-])c(F)c1)c1cccc(N2CCCC2=O)c1 ZINC000448806216 500839596 /nfs/dbraw/zinc/83/95/96/500839596.db2.gz RQNLQBNZNVIFQD-ZDUSSCGKSA-N -1 3 356.397 3.078 20 0 FGADHM C[C@H]1CC[C@H](C)N1CC(=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000444374578 500841758 /nfs/dbraw/zinc/84/17/58/500841758.db2.gz NKKDMEJFDGDDLM-GJZGRUSLSA-N -1 3 373.497 3.266 20 0 FGADHM CC(=O)Nc1ccccc1CC(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000444412215 500844971 /nfs/dbraw/zinc/84/49/71/500844971.db2.gz PKIWAEOYMRMLIX-UHFFFAOYSA-N -1 3 368.311 3.430 20 0 FGADHM CNC(=O)c1cccc(C(=O)N=c2cc(-c3cc(C)c(C)cc3C)[n-][nH]2)c1 ZINC000439119891 500859396 /nfs/dbraw/zinc/85/93/96/500859396.db2.gz POALGXQJWWIVON-UHFFFAOYSA-N -1 3 362.433 3.036 20 0 FGADHM O=C(Cc1ccc([O-])c(F)c1)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000448880559 500859539 /nfs/dbraw/zinc/85/95/39/500859539.db2.gz DXWRBXHIACEHLD-QGZVFWFLSA-N -1 3 367.779 3.466 20 0 FGADHM Cc1cc(C)cc(-c2cc(=NC(=O)CCCOc3cccnc3)[nH][n-]2)c1 ZINC000439154346 500864243 /nfs/dbraw/zinc/86/42/43/500864243.db2.gz HILOCALURKMPME-UHFFFAOYSA-N -1 3 350.422 3.308 20 0 FGADHM CCOCCCn1c(NC(=O)Cc2ccc([O-])c(F)c2)nc2ccccc21 ZINC000448900115 500864291 /nfs/dbraw/zinc/86/42/91/500864291.db2.gz ZNLZZBCZRSAMNU-UHFFFAOYSA-N -1 3 371.412 3.489 20 0 FGADHM O=S(=O)([N-]Cc1noc(-c2cccc(F)c2)n1)c1ccc(Cl)s1 ZINC000439186399 500867195 /nfs/dbraw/zinc/86/71/95/500867195.db2.gz BRAFMDABOPZARF-UHFFFAOYSA-N -1 3 373.818 3.069 20 0 FGADHM O=S(=O)([N-]CCCO[C@H]1CCCCO1)c1cccc(Cl)c1Cl ZINC000439192695 500868471 /nfs/dbraw/zinc/86/84/71/500868471.db2.gz QFIMTYSYUVPNEB-ZDUSSCGKSA-N -1 3 368.282 3.205 20 0 FGADHM CCC[C@H](C)c1cc(=NC(=O)Cc2ccc(Br)cc2[O-])[nH][nH]1 ZINC000444668024 500875354 /nfs/dbraw/zinc/87/53/54/500875354.db2.gz DEGQKFBLOPWSOI-JTQLQIEISA-N -1 3 366.259 3.385 20 0 FGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)c2ccccc2Cl)cc1F ZINC000444882600 500916403 /nfs/dbraw/zinc/91/64/03/500916403.db2.gz ZAVKXRSYUJWHNS-SNVBAGLBSA-N -1 3 371.817 3.305 20 0 FGADHM COC(=O)c1cc(Cl)c([N-]S(=O)(=O)c2cccc(C)c2)cc1OC ZINC000582438567 506224302 /nfs/dbraw/zinc/22/43/02/506224302.db2.gz UEFVKBJYGBZGJA-UHFFFAOYSA-N -1 3 369.826 3.244 20 0 FGADHM O=C(Cc1noc(/C=C/c2cncc([O-])c2)n1)Nc1cccc2ncccc21 ZINC000445283179 500965545 /nfs/dbraw/zinc/96/55/45/500965545.db2.gz OSKVWNYUMJTULS-VOTSOKGWSA-N -1 3 373.372 3.070 20 0 FGADHM CCOc1cccc([C@@H]2C[C@H]2[N-]S(=O)(=O)c2ccc(F)cc2F)c1 ZINC000435421153 500971063 /nfs/dbraw/zinc/97/10/63/500971063.db2.gz IAWCNDVJZQZMQS-GOEBONIOSA-N -1 3 353.390 3.198 20 0 FGADHM COc1cccc(-c2nc(CC(=O)Nc3c(C)cccc3C)no2)c1[O-] ZINC000445311115 500971633 /nfs/dbraw/zinc/97/16/33/500971633.db2.gz OSOSLWXUINFXBS-UHFFFAOYSA-N -1 3 353.378 3.249 20 0 FGADHM C[C@H]1C[C@H]([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)CN1C1CC1 ZINC000435428623 500973235 /nfs/dbraw/zinc/97/32/35/500973235.db2.gz RUFWQARDGWOURQ-WPRPVWTQSA-N -1 3 367.273 3.036 20 0 FGADHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)CN1C1CC1 ZINC000435428620 500973366 /nfs/dbraw/zinc/97/33/66/500973366.db2.gz RUFWQARDGWOURQ-PSASIEDQSA-N -1 3 367.273 3.036 20 0 FGADHM CCOc1cc(-c2noc(-c3csc(-c4cnccn4)n3)n2)ccc1[O-] ZINC000445426453 500983769 /nfs/dbraw/zinc/98/37/69/500983769.db2.gz JZOKOPXJYVDPBC-UHFFFAOYSA-N -1 3 367.390 3.421 20 0 FGADHM COc1ccccc1O[C@H](C)CNC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000440320723 500996719 /nfs/dbraw/zinc/99/67/19/500996719.db2.gz ZTSJUFLJPSLDON-CYBMUJFWSA-N -1 3 371.433 3.312 20 0 FGADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N[C@H](C1CCCCC1)C(F)(F)F ZINC000440332653 500997736 /nfs/dbraw/zinc/99/77/36/500997736.db2.gz RMMXXAWPUKGZJL-CYBMUJFWSA-N -1 3 369.343 3.203 20 0 FGADHM CCOC(=O)Cn1nc(C)c(/C=C/c2ccc3cccc([O-])c3n2)c1C ZINC000445535845 500999001 /nfs/dbraw/zinc/99/90/01/500999001.db2.gz DPMUDGXENTWRKD-ZHACJKMWSA-N -1 3 351.406 3.487 20 0 FGADHM O=S(=O)([N-][C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1)c1ccc(F)cc1F ZINC000435601930 501000013 /nfs/dbraw/zinc/00/00/13/501000013.db2.gz ROKPIIMUOLDUKW-TVQRCGJNSA-N -1 3 363.307 3.217 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)c2ccc(C)cc2C)c1-c1ccc2c(c1)OCCO2 ZINC000435719024 501016582 /nfs/dbraw/zinc/01/65/82/501016582.db2.gz ZXMWEGRWECGBNT-UHFFFAOYSA-N -1 3 363.417 3.447 20 0 FGADHM CSc1nnc(C[N-]S(=O)(=O)c2ccccc2C(C)(C)C)s1 ZINC000445706614 501022202 /nfs/dbraw/zinc/02/22/02/501022202.db2.gz GEBATVZDSQEZHD-UHFFFAOYSA-N -1 3 357.526 3.036 20 0 FGADHM CC[C@H](C[N-]S(=O)(=O)c1ccco1)Oc1ccccc1C(F)(F)F ZINC000445746400 501027780 /nfs/dbraw/zinc/02/77/80/501027780.db2.gz ZTIJQOJDJMNEAB-LLVKDONJSA-N -1 3 363.357 3.434 20 0 FGADHM COC(=O)CCCCCNC(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000435816205 501032904 /nfs/dbraw/zinc/03/29/04/501032904.db2.gz IHYQSWJVCAIGKP-UHFFFAOYSA-N -1 3 369.417 3.086 20 0 FGADHM O=C(NCC(F)F)[C@@H]1CCCCN1Cc1cc([O-])cc(C(F)(F)F)c1 ZINC000449599700 501041244 /nfs/dbraw/zinc/04/12/44/501041244.db2.gz HONONGVTGMNKSQ-ZDUSSCGKSA-N -1 3 366.330 3.147 20 0 FGADHM CSc1ccccc1S(=O)(=O)[N-]c1cc(NC(C)=O)ccc1F ZINC000436008646 501056810 /nfs/dbraw/zinc/05/68/10/501056810.db2.gz RCYCAJHQHWMQGE-UHFFFAOYSA-N -1 3 354.428 3.307 20 0 FGADHM COC(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccccc2SC)c1 ZINC000436028504 501059330 /nfs/dbraw/zinc/05/93/30/501059330.db2.gz PBMPDLNNQRZBNO-UHFFFAOYSA-N -1 3 355.412 3.135 20 0 FGADHM COC(=O)c1cccc(F)c1[N-]C(=O)c1cn(-c2cccc(Cl)c2)nn1 ZINC000446103636 501074975 /nfs/dbraw/zinc/07/49/75/501074975.db2.gz PMDTVEDPZMYVCE-UHFFFAOYSA-N -1 3 374.759 3.099 20 0 FGADHM CCOC(=O)c1sc2[n-]c([C@H](C)Sc3ncco3)nc(=O)c2c1C ZINC000446125900 501078808 /nfs/dbraw/zinc/07/88/08/501078808.db2.gz JJBLLNPOBNYOKD-QMMMGPOBSA-N -1 3 365.436 3.311 20 0 FGADHM CCC[C@H](CC(C)C)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1[O-] ZINC000449808754 501093451 /nfs/dbraw/zinc/09/34/51/501093451.db2.gz BLTZKBCTBJBFDV-CQSZACIVSA-N -1 3 368.499 3.333 20 0 FGADHM Cc1cc(-c2ncccc2NC(=O)NCc2cnc(C)[n-]c2=O)cs1 ZINC000446430279 501120579 /nfs/dbraw/zinc/12/05/79/501120579.db2.gz BTNJYNBRDAZNSX-UHFFFAOYSA-N -1 3 355.423 3.244 20 0 FGADHM CC(=O)N(Cc1ccc(NC(=O)Cc2ccc([O-])c(F)c2)cc1)C1CC1 ZINC000449900564 501121504 /nfs/dbraw/zinc/12/15/04/501121504.db2.gz VIYXTYNUACJHSE-UHFFFAOYSA-N -1 3 356.397 3.223 20 0 FGADHM O=C(Cc1ccc([O-])c(F)c1)Nc1ccc(NC[C@H]2CCCO2)c(F)c1 ZINC000449917797 501125289 /nfs/dbraw/zinc/12/52/89/501125289.db2.gz VWCOCSKMYQFIHE-CQSZACIVSA-N -1 3 362.376 3.443 20 0 FGADHM O=C(CCc1ccc2ccccc2c1[O-])NCCCOCC1CCOCC1 ZINC000449927942 501127672 /nfs/dbraw/zinc/12/76/72/501127672.db2.gz XDENXRRBOABOLF-UHFFFAOYSA-N -1 3 371.477 3.428 20 0 FGADHM COc1ccc(-c2nc([N-]C(=O)c3csc(C(C)C)n3)n[nH]2)cc1OC ZINC000588214084 506237922 /nfs/dbraw/zinc/23/79/22/506237922.db2.gz XBZRPDSFOYGHRH-UHFFFAOYSA-N -1 3 373.438 3.321 20 0 FGADHM CCOc1ccccc1CN1CCN(C(=O)c2ccc(C)cc2[O-])[C@H](C)C1 ZINC000441426263 501136706 /nfs/dbraw/zinc/13/67/06/501136706.db2.gz CUGZWZPPPHBERD-QGZVFWFLSA-N -1 3 368.477 3.446 20 0 FGADHM COc1cccc(Cc2nnc(NC(=O)c3cc(C)ccc3[O-])s2)c1 ZINC000436490068 501137980 /nfs/dbraw/zinc/13/79/80/501137980.db2.gz PGXBOASIODIJGC-UHFFFAOYSA-N -1 3 355.419 3.404 20 0 FGADHM CCOc1cc(CNC(=O)c2cc(OC)ccc2[O-])ccc1OC(F)F ZINC000436496467 501139259 /nfs/dbraw/zinc/13/92/59/501139259.db2.gz ZRGISEQTZSYOQN-UHFFFAOYSA-N -1 3 367.348 3.331 20 0 FGADHM CC[C@@H]1CCC[C@H]1C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000449978484 501143339 /nfs/dbraw/zinc/14/33/39/501143339.db2.gz NPFQBHUSRBRPEI-BXUZGUMPSA-N -1 3 354.447 3.031 20 0 FGADHM O=C(Nc1ncc(C(F)(F)F)[nH]1)c1ccc(Br)cc1[O-] ZINC000436517517 501145311 /nfs/dbraw/zinc/14/53/11/501145311.db2.gz OEBQNMMGURVSDK-UHFFFAOYSA-N -1 3 350.094 3.149 20 0 FGADHM CCc1ccc(C(=O)N2CCN(C(=O)c3ccc([O-])c(CC)c3)CC2)cc1 ZINC000436528224 501148351 /nfs/dbraw/zinc/14/83/51/501148351.db2.gz GRJRLKGOEIIOIY-UHFFFAOYSA-N -1 3 366.461 3.115 20 0 FGADHM CC[C@H](C)NC(=O)[C@H](C)NC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436537335 501150699 /nfs/dbraw/zinc/15/06/99/501150699.db2.gz DXKQLGIHLZVDES-KBPBESRZSA-N -1 3 356.422 3.218 20 0 FGADHM Cc1cccc(N(CCC(N)=O)C(=O)c2cc3c(cc2[O-])CCCC3)c1 ZINC000436538780 501151185 /nfs/dbraw/zinc/15/11/85/501151185.db2.gz LDUSLANWYMBVAU-UHFFFAOYSA-N -1 3 352.434 3.102 20 0 FGADHM C[C@@]1(F)CCN(C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000436540326 501151540 /nfs/dbraw/zinc/15/15/40/501151540.db2.gz YGQGAZHROMTIKJ-WIYYLYMNSA-N -1 3 370.424 3.214 20 0 FGADHM CNC(=O)C1CCC(NC(=O)c2cc(Oc3ccccc3)ccc2[O-])CC1 ZINC000436540615 501151888 /nfs/dbraw/zinc/15/18/88/501151888.db2.gz PYZPXHIHIMXGKY-UHFFFAOYSA-N -1 3 368.433 3.219 20 0 FGADHM Cc1cccc(-c2nnc3n2C[C@@H](C(=O)Nc2c(C)cccc2[O-])CC3)c1 ZINC000450554736 501153077 /nfs/dbraw/zinc/15/30/77/501153077.db2.gz FCEPWGWTKUCKDA-INIZCTEOSA-N -1 3 362.433 3.469 20 0 FGADHM COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccc(C(C)C)cc1[O-] ZINC000436549818 501154472 /nfs/dbraw/zinc/15/44/72/501154472.db2.gz QTDNNXQGRGJCRY-SFHVURJKSA-N -1 3 353.418 3.256 20 0 FGADHM CCCc1ccc([C@H](C)N(CC(N)=O)C(=O)c2cc(OC)ccc2[O-])cc1 ZINC000436548564 501154502 /nfs/dbraw/zinc/15/45/02/501154502.db2.gz NEEIGFRMSNPULO-AWEZNQCLSA-N -1 3 370.449 3.042 20 0 FGADHM COC(=O)[C@@H]1CN(C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)c2ccccc21 ZINC000436550444 501154548 /nfs/dbraw/zinc/15/45/48/501154548.db2.gz ZJDSKUFEJITQJC-OAHLLOKOSA-N -1 3 367.401 3.023 20 0 FGADHM CCCCS(=O)(=O)Nc1ccc(NC(=O)c2ccc(C)cc2[O-])cc1 ZINC000436560092 501156711 /nfs/dbraw/zinc/15/67/11/501156711.db2.gz DCMXMFQWEVDKDO-UHFFFAOYSA-N -1 3 362.451 3.495 20 0 FGADHM CC(=O)c1ccc(C(=O)NCc2cccc(NC(=O)C3CCC3)c2)cc1[O-] ZINC000436563375 501158071 /nfs/dbraw/zinc/15/80/71/501158071.db2.gz LOCXHEUMMCOHLA-UHFFFAOYSA-N -1 3 366.417 3.263 20 0 FGADHM CC(=O)c1ccc(C(=O)NCc2ccc(NC(=O)NC(C)C)cc2)cc1[O-] ZINC000436566416 501158747 /nfs/dbraw/zinc/15/87/47/501158747.db2.gz LSMMYHJHFJUVHT-UHFFFAOYSA-N -1 3 369.421 3.055 20 0 FGADHM COc1cc(OC)c(CNC(=O)c2ccc(C(C)C)cc2[O-])c(OC)c1 ZINC000436565377 501158975 /nfs/dbraw/zinc/15/89/75/501158975.db2.gz QVDIFGSIAGBYHC-UHFFFAOYSA-N -1 3 359.422 3.471 20 0 FGADHM CO[C@@H]1COCC[C@@H]1CC(=O)Nc1cc(Cc2ccccc2)ccc1[O-] ZINC000450031923 501159292 /nfs/dbraw/zinc/15/92/92/501159292.db2.gz JSZIPFVYYDSTAY-YLJYHZDGSA-N -1 3 355.434 3.363 20 0 FGADHM O=C(c1ccccc1[O-])N1CCC(Nc2ncnc3ccsc32)CC1 ZINC000436580832 501161880 /nfs/dbraw/zinc/16/18/80/501161880.db2.gz XRYPGIYBQGMJQK-UHFFFAOYSA-N -1 3 354.435 3.114 20 0 FGADHM Cc1cccc2c(=O)c(C(=O)N3CCN(CCC(C)(C)C)CC3)c[n-]c12 ZINC000607719848 506237581 /nfs/dbraw/zinc/23/75/81/506237581.db2.gz DKJAKQFTYVBLTI-UHFFFAOYSA-N -1 3 355.482 3.031 20 0 FGADHM C[C@@H](CO[C@H]1CCOC1)NC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436584312 501163027 /nfs/dbraw/zinc/16/30/27/501163027.db2.gz MIUVYFXBUMAPQK-LPHOPBHVSA-N -1 3 369.461 3.101 20 0 FGADHM CC[C@H]1CN(C(=O)c2cc3c(cc2[O-])CCCC3)[C@@H](CC)CN1C(C)=O ZINC000436585521 501163166 /nfs/dbraw/zinc/16/31/66/501163166.db2.gz JWJHKUOCBYYEJO-ROUUACIJSA-N -1 3 358.482 3.133 20 0 FGADHM C[C@@H]1CN(CCCCNC(=O)c2ccc3ccccc3c2[O-])C[C@@H](C)O1 ZINC000436589991 501164823 /nfs/dbraw/zinc/16/48/23/501164823.db2.gz XSAPPNVKPJCHFG-HZPDHXFCSA-N -1 3 356.466 3.165 20 0 FGADHM CC(C)(CO)CCCNC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436590351 501164941 /nfs/dbraw/zinc/16/49/41/501164941.db2.gz YIRFWECHMCTEAX-UHFFFAOYSA-N -1 3 357.450 3.500 20 0 FGADHM COc1cc(NC(C)=O)ccc1NC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436609309 501168988 /nfs/dbraw/zinc/16/89/88/501168988.db2.gz WBLRRXGFPNKQQX-UHFFFAOYSA-N -1 3 354.406 3.490 20 0 FGADHM O=C1c2ccccc2C(=O)N1Cc1nc(-c2ccc([O-])c3ccccc23)no1 ZINC000436614415 501170094 /nfs/dbraw/zinc/17/00/94/501170094.db2.gz XGWSSXNBJMFLFI-UHFFFAOYSA-N -1 3 371.352 3.392 20 0 FGADHM NC(=O)COc1ccccc1-c1nc(-c2ccc([O-])c3ccccc23)no1 ZINC000436613167 501170242 /nfs/dbraw/zinc/17/02/42/501170242.db2.gz OXWZSWUONOQVFU-UHFFFAOYSA-N -1 3 361.357 3.127 20 0 FGADHM O=C(N[C@@H](CCO)C1CCOCC1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436619468 501170863 /nfs/dbraw/zinc/17/08/63/501170863.db2.gz WTYZAXVSPJLEQE-IBGZPJMESA-N -1 3 371.433 3.092 20 0 FGADHM Cc1cc(O)c(C(C)C)cc1C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000436616311 501171110 /nfs/dbraw/zinc/17/11/10/501171110.db2.gz DRZFKTMNFCKDIW-UHFFFAOYSA-N -1 3 351.410 3.180 20 0 FGADHM Cc1cc(O)c(C(C)C)cc1C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000436616311 501171114 /nfs/dbraw/zinc/17/11/14/501171114.db2.gz DRZFKTMNFCKDIW-UHFFFAOYSA-N -1 3 351.410 3.180 20 0 FGADHM C[C@@H]1CCC[C@H](CCNC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])C1 ZINC000436617118 501171198 /nfs/dbraw/zinc/17/11/98/501171198.db2.gz HDNAJBWBFQLVTJ-NUJGCVRESA-N -1 3 358.482 3.329 20 0 FGADHM Cc1ccc([C@H](Cn2ccnc2)NC(=O)c2ccc(O)cc2[O-])c(C)c1 ZINC000436623727 501171989 /nfs/dbraw/zinc/17/19/89/501171989.db2.gz GVMITYONBYHETF-SFHVURJKSA-N -1 3 351.406 3.082 20 0 FGADHM Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])cc1F ZINC000436626185 501173103 /nfs/dbraw/zinc/17/31/03/501173103.db2.gz OIYPFJKLASEHLK-KDOFPFPSSA-N -1 3 370.424 3.322 20 0 FGADHM CCS[C@H]1CCC[C@H](NC(=O)CCNC(=O)c2ccc(C)cc2[O-])C1 ZINC000436641360 501176166 /nfs/dbraw/zinc/17/61/66/501176166.db2.gz VBKQNEFWDGIVCP-GJZGRUSLSA-N -1 3 364.511 3.001 20 0 FGADHM CCOc1ccc(CCNC(=O)c2cccc(OC)c2[O-])cc1OCC ZINC000436649640 501178981 /nfs/dbraw/zinc/17/89/81/501178981.db2.gz WESUINPJIJTGAD-UHFFFAOYSA-N -1 3 359.422 3.171 20 0 FGADHM Cc1ccc(C(=O)N2CCC[C@@](CO)(Cc3ccccc3)C2)c([O-])c1C ZINC000436651708 501179930 /nfs/dbraw/zinc/17/99/30/501179930.db2.gz HEMNOPNXLLARRO-JOCHJYFZSA-N -1 3 353.462 3.466 20 0 FGADHM O=C(NCC1(c2ccccc2Br)CC1)c1c([O-])cccc1O ZINC000436651841 501180013 /nfs/dbraw/zinc/18/00/13/501180013.db2.gz YHDJVOOSVYMIMM-UHFFFAOYSA-N -1 3 362.223 3.322 20 0 FGADHM CN(CCc1cccc(Br)c1)C(=O)c1ccc(O)cc1[O-] ZINC000436679183 501186744 /nfs/dbraw/zinc/18/67/44/501186744.db2.gz JLEKMLRZRKNJHN-UHFFFAOYSA-N -1 3 350.212 3.175 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](C)c2ccc3ncsc3c2)c1 ZINC000436679371 501186859 /nfs/dbraw/zinc/18/68/59/501186859.db2.gz FXIJKFLHHBQDDI-SNVBAGLBSA-N -1 3 355.419 3.451 20 0 FGADHM CC1CCN([C@@H](CNC(=O)C(=O)c2ccc([O-])cc2)c2ccccc2)CC1 ZINC000436683256 501187973 /nfs/dbraw/zinc/18/79/73/501187973.db2.gz ZEGJIIFCDVHINL-FQEVSTJZSA-N -1 3 366.461 3.164 20 0 FGADHM CCCCCn1cc(CNC(=O)c2cc(OC)c([O-])c(OC)c2)c(C)n1 ZINC000436682883 501188033 /nfs/dbraw/zinc/18/80/33/501188033.db2.gz XMUHQCHGHACBDH-UHFFFAOYSA-N -1 3 361.442 3.035 20 0 FGADHM Cc1ccc(C(=O)NCCc2nc(-c3ccc(F)cc3C)no2)c([O-])c1 ZINC000436689129 501188425 /nfs/dbraw/zinc/18/84/25/501188425.db2.gz NQUPUCYCYRUOSE-UHFFFAOYSA-N -1 3 355.369 3.171 20 0 FGADHM Cc1ccc(NC(=O)C(=O)N=c2cc(-c3ccccc3C)[n-][nH]2)c(Cl)c1 ZINC000436692108 501189720 /nfs/dbraw/zinc/18/97/20/501189720.db2.gz LTVLKTPYJZLIIA-UHFFFAOYSA-N -1 3 368.824 3.346 20 0 FGADHM CC1(C)Cc2ccc(C(=O)Nc3ccccc3-c3nc[nH]n3)c([O-])c2O1 ZINC000436698124 501190520 /nfs/dbraw/zinc/19/05/20/501190520.db2.gz OOUQIXRETVKLSK-UHFFFAOYSA-N -1 3 350.378 3.143 20 0 FGADHM CC(C)[C@H](Sc1ccccc1)C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000436700638 501191203 /nfs/dbraw/zinc/19/12/03/501191203.db2.gz WTNMXUIVZVWXSY-SFHVURJKSA-N -1 3 372.490 3.055 20 0 FGADHM COC(=O)c1ccc2c(c1)CN(C(=O)c1cc3c(cc1[O-])CCCC3)CC2 ZINC000436704102 501192544 /nfs/dbraw/zinc/19/25/44/501192544.db2.gz FYEOCRWLNSJOAL-UHFFFAOYSA-N -1 3 365.429 3.256 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N2CCC[C@H]2c2cccs2)c([O-])c1 ZINC000436706854 501193386 /nfs/dbraw/zinc/19/33/86/501193386.db2.gz NUWFCBXOLYJGSD-HNNXBMFYSA-N -1 3 358.463 3.246 20 0 FGADHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1C[C@@H](C)CCC[C@@H]1C ZINC000442049491 501193485 /nfs/dbraw/zinc/19/34/85/501193485.db2.gz MICLWKIPDUVKHR-AAEUAGOBSA-N -1 3 366.483 3.209 20 0 FGADHM COc1ccc(C(=O)NC[C@@H](C)Cc2ccc(OC)c(OC)c2)c([O-])c1 ZINC000436712410 501194658 /nfs/dbraw/zinc/19/46/58/501194658.db2.gz AOIUUVLKINRSQJ-ZDUSSCGKSA-N -1 3 359.422 3.027 20 0 FGADHM COc1cccc(C(=O)N[C@H](c2nccn2C)c2ccc(Cl)cc2)c1[O-] ZINC000436715408 501195804 /nfs/dbraw/zinc/19/58/04/501195804.db2.gz KZQRAPZMMLAZRC-INIZCTEOSA-N -1 3 371.824 3.307 20 0 FGADHM C[C@@H](NCC[N-]S(=O)(=O)c1ccc(F)cc1F)c1ccccc1Cl ZINC000442101119 501197126 /nfs/dbraw/zinc/19/71/26/501197126.db2.gz XJRMTFKMCBKBLZ-LLVKDONJSA-N -1 3 374.840 3.247 20 0 FGADHM CN1CCC(Oc2ccc(CNC(=O)c3cc(Cl)ccc3[O-])cc2)CC1 ZINC000436722637 501197242 /nfs/dbraw/zinc/19/72/42/501197242.db2.gz MMCLCEBXYGDGGZ-UHFFFAOYSA-N -1 3 374.868 3.449 20 0 FGADHM CS[C@H]1CN(C(=O)c2cc(Cl)c3ccccc3c2[O-])C[C@H]1N(C)C ZINC000436729485 501198884 /nfs/dbraw/zinc/19/88/84/501198884.db2.gz BCNOMQCTAALRMY-CVEARBPZSA-N -1 3 364.898 3.316 20 0 FGADHM COc1cccc(C(=O)NC[C@@H](c2ccc(OC(C)C)cc2)N(C)C)c1[O-] ZINC000436744833 501203087 /nfs/dbraw/zinc/20/30/87/501203087.db2.gz QBCOLYHZDOXYRB-SFHVURJKSA-N -1 3 372.465 3.221 20 0 FGADHM CC(C)Oc1ccc([C@H](CNC(=O)c2ccc([O-])cc2F)N(C)C)cc1 ZINC000436744626 501203402 /nfs/dbraw/zinc/20/34/02/501203402.db2.gz OCKPRARCVOWKPK-IBGZPJMESA-N -1 3 360.429 3.351 20 0 FGADHM COc1cccc2c1CCN(C(=O)c1ccc3c(c1[O-])OC(C)(C)C3)C2 ZINC000436751682 501203788 /nfs/dbraw/zinc/20/37/88/501203788.db2.gz USCXVZDBXHCFLY-UHFFFAOYSA-N -1 3 353.418 3.313 20 0 FGADHM Cc1sc2nc(C)nc(NCCNC(=O)c3ccc([O-])cc3)c2c1C ZINC000436749770 501204128 /nfs/dbraw/zinc/20/41/28/501204128.db2.gz UFQRKFPGLZZRNI-UHFFFAOYSA-N -1 3 356.451 3.164 20 0 FGADHM Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccc(Cl)cc1[O-] ZINC000436754584 501204726 /nfs/dbraw/zinc/20/47/26/501204726.db2.gz ZVWULMSQBBXXFN-UHFFFAOYSA-N -1 3 359.857 3.358 20 0 FGADHM CC(C)c1ccc(C(=O)N2CCC[C@H]2C(=O)Nc2nccs2)c([O-])c1 ZINC000436758325 501206128 /nfs/dbraw/zinc/20/61/28/501206128.db2.gz NATVWJIGXZDUJT-AWEZNQCLSA-N -1 3 359.451 3.215 20 0 FGADHM Cc1ccc(C(=O)NCc2ccncc2OCC(F)(F)F)c([O-])c1C ZINC000436769672 501208533 /nfs/dbraw/zinc/20/85/33/501208533.db2.gz KHSGIEWHEMJWIY-UHFFFAOYSA-N -1 3 354.328 3.275 20 0 FGADHM C[C@]1(C[N-]S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)CCCO1 ZINC000447153478 501209796 /nfs/dbraw/zinc/20/97/96/501209796.db2.gz PEGAUEKZRWWVPA-OAHLLOKOSA-N -1 3 372.899 3.311 20 0 FGADHM CC1(C)Cc2ccc(C(=O)NCc3ccnc(N4CCCC4)c3)c([O-])c2O1 ZINC000436779303 501210063 /nfs/dbraw/zinc/21/00/63/501210063.db2.gz VIIJEVQIOBZPOB-UHFFFAOYSA-N -1 3 367.449 3.031 20 0 FGADHM O=C(c1ccccc1[O-])N1CCN(c2cccc(Br)c2)CC1 ZINC000436785191 501210773 /nfs/dbraw/zinc/21/07/73/501210773.db2.gz DLYPYRCLPUEWAF-UHFFFAOYSA-N -1 3 361.239 3.117 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](C)c2ccc(-n3cccn3)cc2)c1 ZINC000436786927 501211284 /nfs/dbraw/zinc/21/12/84/501211284.db2.gz LKSWVCBFYWVMRF-CYBMUJFWSA-N -1 3 364.405 3.027 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](C)c2ncc(-c3ccccc3)o2)c1 ZINC000436788164 501211401 /nfs/dbraw/zinc/21/14/01/501211401.db2.gz UNYGVTIRRHITMO-GFCCVEGCSA-N -1 3 365.389 3.497 20 0 FGADHM COc1cc(-c2noc(-c3nnn(-c4ccc(C)cc4)c3C)n2)ccc1[O-] ZINC000436788513 501211456 /nfs/dbraw/zinc/21/14/56/501211456.db2.gz GXDMMYYIMWMCOB-UHFFFAOYSA-N -1 3 363.377 3.315 20 0 FGADHM CCOCCOCc1cccc(CNC(=O)c2ccc(C)c(C)c2[O-])c1 ZINC000436788625 501211480 /nfs/dbraw/zinc/21/14/80/501211480.db2.gz AENXRUGKHKFMNI-UHFFFAOYSA-N -1 3 357.450 3.492 20 0 FGADHM COc1cccc(C(=O)Nc2ccc3nc(NC(C)=O)sc3c2)c1[O-] ZINC000436793180 501212891 /nfs/dbraw/zinc/21/28/91/501212891.db2.gz QDNSHLQWRFWZLS-UHFFFAOYSA-N -1 3 357.391 3.221 20 0 FGADHM CSc1ccc([C@H](CNC(=O)c2cc(F)c([O-])c(F)c2)N(C)C)cc1 ZINC000436806883 501214262 /nfs/dbraw/zinc/21/42/62/501214262.db2.gz WTAUSZUJGPPRPA-INIZCTEOSA-N -1 3 366.433 3.425 20 0 FGADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CCC[C@H](Oc2ncccc2F)C1 ZINC000436810373 501214766 /nfs/dbraw/zinc/21/47/66/501214766.db2.gz RHKZMKMBPXDHIG-INIZCTEOSA-N -1 3 370.424 3.489 20 0 FGADHM O=C(Nc1cccc(F)c1-c1nc[nH]n1)c1cc2c(cc1[O-])CCCC2 ZINC000436812126 501215409 /nfs/dbraw/zinc/21/54/09/501215409.db2.gz DHNCAQLFHXRYEK-UHFFFAOYSA-N -1 3 352.369 3.448 20 0 FGADHM Cc1cc(Cl)ccc1CN1CCN(C(=O)c2ccc(O)cc2[O-])CC1 ZINC000436814956 501215758 /nfs/dbraw/zinc/21/57/58/501215758.db2.gz JEFYBKZZHLKJKY-UHFFFAOYSA-N -1 3 360.841 3.018 20 0 FGADHM Cc1c(NC(=O)c2ccc3c(c2[O-])CCCC3)cccc1N1CCNC1=O ZINC000436821259 501216625 /nfs/dbraw/zinc/21/66/25/501216625.db2.gz KILWCLZKUDTQHI-UHFFFAOYSA-N -1 3 365.433 3.361 20 0 FGADHM Cc1c(NC(=O)c2cc3c(cc2[O-])CCCC3)cccc1N1CCNC1=O ZINC000436823700 501216946 /nfs/dbraw/zinc/21/69/46/501216946.db2.gz WPXKGSQZCJMFGR-UHFFFAOYSA-N -1 3 365.433 3.361 20 0 FGADHM O=C(NCc1ccncc1OCc1ccccc1)c1ccc(O)cc1[O-] ZINC000436825230 501217689 /nfs/dbraw/zinc/21/76/89/501217689.db2.gz KKWWVNCJKMKOPQ-UHFFFAOYSA-N -1 3 350.374 3.002 20 0 FGADHM CCc1ccc(C(=O)Nc2cccc(Cn3nc(C)nc3C)c2)c([O-])c1 ZINC000436832025 501218399 /nfs/dbraw/zinc/21/83/99/501218399.db2.gz RDEZPVDBCIWRFO-UHFFFAOYSA-N -1 3 350.422 3.464 20 0 FGADHM O=C(Nc1cccc(CN2CC[C@@H](O)C2)c1)c1ccc2c(c1[O-])CCCC2 ZINC000436833554 501218480 /nfs/dbraw/zinc/21/84/80/501218480.db2.gz JXTLMGOXSGSTBE-GOSISDBHSA-N -1 3 366.461 3.090 20 0 FGADHM Cc1cc(Br)c2c(c1)CN(C(=O)c1c([O-])cccc1O)CC2 ZINC000436865010 501224053 /nfs/dbraw/zinc/22/40/53/501224053.db2.gz QTAXZMGKYPALQY-UHFFFAOYSA-N -1 3 362.223 3.367 20 0 FGADHM COc1cccc([C@@H]2[C@H](NC(=O)c3cc(F)ccc3[O-])CCN2C2CC2)c1 ZINC000436884929 501227095 /nfs/dbraw/zinc/22/70/95/501227095.db2.gz BJCLCJAKRRUBQH-UYAOXDASSA-N -1 3 370.424 3.248 20 0 FGADHM CCSc1ccc(C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000436885909 501227265 /nfs/dbraw/zinc/22/72/65/501227265.db2.gz LAHMEQJUUHWNSU-UHFFFAOYSA-N -1 3 370.474 3.102 20 0 FGADHM CCc1cccc(CC)c1NC(=O)[C@@H](C)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000450910574 501228454 /nfs/dbraw/zinc/22/84/54/501228454.db2.gz AVLHBLPWQPBQCR-CYBMUJFWSA-N -1 3 372.469 3.107 20 0 FGADHM COc1cc(-c2noc(-c3ccc(N4CCCC4=O)cc3)n2)ccc1[O-] ZINC000436892510 501228767 /nfs/dbraw/zinc/22/87/67/501228767.db2.gz KCHHIYQIEOXEES-UHFFFAOYSA-N -1 3 351.362 3.245 20 0 FGADHM CCCc1ncc(C(=O)Nc2nc(-c3ccc([O-])c(Cl)c3)n[nH]2)s1 ZINC000436915931 501232219 /nfs/dbraw/zinc/23/22/19/501232219.db2.gz QRTVDFOLCUADFR-UHFFFAOYSA-N -1 3 363.830 3.492 20 0 FGADHM Cc1ccc(C(=O)N[C@H](CO)c2ccccc2OC(F)(F)F)c([O-])c1C ZINC000436913767 501232292 /nfs/dbraw/zinc/23/22/92/501232292.db2.gz JWUHSARFXRYVIW-CQSZACIVSA-N -1 3 369.339 3.371 20 0 FGADHM COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)c1ccc([O-])c(C)c1)CC3 ZINC000436921017 501233519 /nfs/dbraw/zinc/23/35/19/501233519.db2.gz IQDWQTFNDFVPPZ-UHFFFAOYSA-N -1 3 364.401 3.167 20 0 FGADHM CN(C)[C@H](C[N-]S(=O)(=O)Cc1c(F)cccc1Cl)c1ccccc1 ZINC000450970798 501235930 /nfs/dbraw/zinc/23/59/30/501235930.db2.gz NPSNEDDUOWYHMA-QGZVFWFLSA-N -1 3 370.877 3.201 20 0 FGADHM CN(C)[C@@H](C[N-]S(=O)(=O)c1cc2cc(F)ccc2o1)c1ccsc1 ZINC000451040959 501241224 /nfs/dbraw/zinc/24/12/24/501241224.db2.gz SLMPOAXMJQKLRV-AWEZNQCLSA-N -1 3 368.455 3.215 20 0 FGADHM O=S(=O)(Cc1ccc(Br)cc1)[N-]c1ccc2c(n1)CCC2 ZINC000451093624 501245293 /nfs/dbraw/zinc/24/52/93/501245293.db2.gz GFDGSFYWVWIAJY-UHFFFAOYSA-N -1 3 367.268 3.275 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)c1sccc1Cl)c1nnc2n1CCCCC2 ZINC000451175439 501250192 /nfs/dbraw/zinc/25/01/92/501250192.db2.gz KKKKUMCHLUQKRV-NSHDSACASA-N -1 3 374.919 3.149 20 0 FGADHM CN(CCCNC(=O)C1CCC1)C(=O)CCc1ccc2ccccc2c1[O-] ZINC000451183944 501250678 /nfs/dbraw/zinc/25/06/78/501250678.db2.gz JWGHSWMBMSTAFB-UHFFFAOYSA-N -1 3 368.477 3.243 20 0 FGADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)[C@H]3CCC[C@H]3CC)c2)[n-]1 ZINC000451283036 501257414 /nfs/dbraw/zinc/25/74/14/501257414.db2.gz FDAXSLKSYPCDEL-ZBFHGGJFSA-N -1 3 370.453 3.091 20 0 FGADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)[C@H]3CCC[C@H]3CC)c2)n[n-]1 ZINC000451283036 501257415 /nfs/dbraw/zinc/25/74/15/501257415.db2.gz FDAXSLKSYPCDEL-ZBFHGGJFSA-N -1 3 370.453 3.091 20 0 FGADHM Cc1csc(S(=O)(=O)[N-]CCc2nc(C(F)(F)F)cs2)c1 ZINC000451286696 501257525 /nfs/dbraw/zinc/25/75/25/501257525.db2.gz SLPPGNCFWAOWBW-UHFFFAOYSA-N -1 3 356.416 3.053 20 0 FGADHM CO[C@H](C[N-]S(=O)(=O)C[C@H]1CCCC1(F)F)c1cccc(Cl)c1 ZINC000451289552 501257803 /nfs/dbraw/zinc/25/78/03/501257803.db2.gz XQPJUULZYUOIPG-TZMCWYRMSA-N -1 3 367.845 3.382 20 0 FGADHM [O-]c1ccc(Cc2nc(-c3ccc(N4CCOCC4)cc3)no2)cc1F ZINC000453084334 501265392 /nfs/dbraw/zinc/26/53/92/501265392.db2.gz JFFZXCQKGWQZMP-UHFFFAOYSA-N -1 3 355.369 3.009 20 0 FGADHM COc1ccccc1OC[C@@H](C)C[N-]S(=O)(=O)c1cc(C)cs1 ZINC000451355527 501273841 /nfs/dbraw/zinc/27/38/41/501273841.db2.gz BMCLBQSVQGTENG-ZDUSSCGKSA-N -1 3 355.481 3.059 20 0 FGADHM CCOc1nc2cc(C(=O)N3CCC[C@@H]3[C@@H]3C[C@@H](C)CC[C@H]3O)ccc2[n-]1 ZINC000451430129 501291753 /nfs/dbraw/zinc/29/17/53/501291753.db2.gz MOSPRMJPSKOGCB-JECZMYCTSA-N -1 3 371.481 3.363 20 0 FGADHM CCOc1nc2ccc(C(=O)N3CCC[C@@H]3[C@@H]3C[C@@H](C)CC[C@H]3O)cc2[n-]1 ZINC000451430129 501291755 /nfs/dbraw/zinc/29/17/55/501291755.db2.gz MOSPRMJPSKOGCB-JECZMYCTSA-N -1 3 371.481 3.363 20 0 FGADHM COC(=O)c1ncccc1S(=O)(=O)[N-][C@@H]1CCC[C@@H](C(C)(C)C)CC1 ZINC000451431471 501292575 /nfs/dbraw/zinc/29/25/75/501292575.db2.gz KDCYDLQQISASEB-ZIAGYGMSSA-N -1 3 368.499 3.142 20 0 FGADHM C[C@](O)(C[N-]S(=O)(=O)C[C@H]1CCCCC1(F)F)C1CCCCC1 ZINC000451466820 501299106 /nfs/dbraw/zinc/29/91/06/501299106.db2.gz XUSCBEHHOAUXOS-CABCVRRESA-N -1 3 353.475 3.063 20 0 FGADHM CCC[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1Br)OC ZINC000451639409 501341544 /nfs/dbraw/zinc/34/15/44/501341544.db2.gz LXPCKTRKNTZNPH-JTQLQIEISA-N -1 3 370.696 3.196 20 0 FGADHM C[C@@H](CCCCO)[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000451718620 501359636 /nfs/dbraw/zinc/35/96/36/501359636.db2.gz GRMPZLPRULPISO-NSHDSACASA-N -1 3 374.915 3.293 20 0 FGADHM CN(C(=O)c1cnc2c(cnn2C)c1[O-])[C@H]1CCC[C@@H]1c1ccccc1 ZINC000458032199 501359715 /nfs/dbraw/zinc/35/97/15/501359715.db2.gz TWYMUBRDGVYRQL-PBHICJAKSA-N -1 3 350.422 3.082 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1cc(Br)cc2cccnc21)C1CC1 ZINC000451738299 501363657 /nfs/dbraw/zinc/36/36/57/501363657.db2.gz ZSNJRYFOHNOHFL-SECBINFHSA-N -1 3 355.257 3.074 20 0 FGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H]2CCO[C@@H](C(C)C)C2)c1 ZINC000451813517 501378099 /nfs/dbraw/zinc/37/80/99/501378099.db2.gz DZPWAZQVOZJNKT-SWLSCSKDSA-N -1 3 361.891 3.078 20 0 FGADHM O=S(=O)([N-]C[C@H]1CCCC1(F)F)c1ccc(F)c(Br)c1 ZINC000451820267 501379843 /nfs/dbraw/zinc/37/98/43/501379843.db2.gz DFRZZFUEKXUUCX-MRVPVSSYSA-N -1 3 372.206 3.302 20 0 FGADHM CC(C)[C@@H]1N(C(=O)c2ccc([N-]S(C)(=O)=O)cc2)CC12CCCCC2 ZINC000458205549 501392919 /nfs/dbraw/zinc/39/29/19/501392919.db2.gz ZKGNRXJBFKBRAI-KRWDZBQOSA-N -1 3 364.511 3.489 20 0 FGADHM CCC1([N-]S(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)CCCCC1 ZINC000451891856 501393898 /nfs/dbraw/zinc/39/38/98/501393898.db2.gz PJJAHBXFBNQTSA-UHFFFAOYSA-N -1 3 354.447 3.102 20 0 FGADHM CCCc1ncc(C[N-]S(=O)(=O)Cc2cccc(Br)c2)o1 ZINC000451958739 501408493 /nfs/dbraw/zinc/40/84/93/501408493.db2.gz LQMZUBQXZAUMLR-UHFFFAOYSA-N -1 3 373.272 3.009 20 0 FGADHM CO[C@H]([C@@H](C)[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl)C1CC1 ZINC000451981991 501412810 /nfs/dbraw/zinc/41/28/10/501412810.db2.gz FNAOUNIBLLQAAC-NOZJJQNGSA-N -1 3 352.283 3.394 20 0 FGADHM Cc1ccc(-c2cc(C(=O)Nc3ccc(F)cc3N3CCOCC3)n[n-]2)o1 ZINC000458346215 501423952 /nfs/dbraw/zinc/42/39/52/501423952.db2.gz WRHAFINLPRRLNZ-UHFFFAOYSA-N -1 3 370.384 3.206 20 0 FGADHM Cc1ccc(-c2cc(C(=O)Nc3ccc(F)cc3N3CCOCC3)[n-]n2)o1 ZINC000458346215 501423955 /nfs/dbraw/zinc/42/39/55/501423955.db2.gz WRHAFINLPRRLNZ-UHFFFAOYSA-N -1 3 370.384 3.206 20 0 FGADHM O=S(=O)([N-][C@H](c1cccs1)C1(CO)CCC1)c1ccc(F)c(F)c1 ZINC000452083489 501431631 /nfs/dbraw/zinc/43/16/31/501431631.db2.gz JWLHOVPZGBZFOG-OAHLLOKOSA-N -1 3 373.446 3.209 20 0 FGADHM C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)c2c(F)ccc([O-])c2F)C1 ZINC000456327392 501499309 /nfs/dbraw/zinc/49/93/09/501499309.db2.gz HHOCGSNHMKKXMQ-CQSZACIVSA-N -1 3 360.404 3.265 20 0 FGADHM CC1(C2(NC(=O)Cc3csc(NC(=O)c4cccc([O-])c4)n3)CC2)CC1 ZINC000456647284 501566379 /nfs/dbraw/zinc/56/63/79/501566379.db2.gz NFMDXIKWBBVHRI-UHFFFAOYSA-N -1 3 371.462 3.092 20 0 FGADHM CO[C@@H]1CCN(C(=O)c2cc(OCc3ccccc3)ccc2[O-])C[C@H]1C ZINC000452890416 501581033 /nfs/dbraw/zinc/58/10/33/501581033.db2.gz QKKJFZIJWOWWGE-FOIQADDNSA-N -1 3 355.434 3.468 20 0 FGADHM COc1cc(C)cc(C(=O)Nc2ccc3c(c2)nc(C)n3[C@H](C)CO)c1[O-] ZINC000456706756 501582408 /nfs/dbraw/zinc/58/24/08/501582408.db2.gz JCDOGWXJLOHTLX-GFCCVEGCSA-N -1 3 369.421 3.173 20 0 FGADHM COCCN(Cc1ccc(F)c(Cl)c1)C(=O)c1cccc(OC)c1[O-] ZINC000456879251 501613799 /nfs/dbraw/zinc/61/37/99/501613799.db2.gz JZJYCSCXOGXNLF-UHFFFAOYSA-N -1 3 367.804 3.482 20 0 FGADHM CN(C(=O)c1cc2c(cc1[O-])CCCC2)C1CCN(CC(F)(F)F)CC1 ZINC000456945592 501624040 /nfs/dbraw/zinc/62/40/40/501624040.db2.gz YQIKLTSODAWLJP-UHFFFAOYSA-N -1 3 370.415 3.370 20 0 FGADHM CC(C)(C)OC(=O)[C@H](NCc1cc(=O)[n-]c(C2CC2)n1)c1ccccc1 ZINC000459362789 501639191 /nfs/dbraw/zinc/63/91/91/501639191.db2.gz HFGVWZRPWOUCFP-QGZVFWFLSA-N -1 3 355.438 3.232 20 0 FGADHM [O-]c1cccc(CNCc2ccc(N3CCCC3)nc2)c1Br ZINC000459371394 501641149 /nfs/dbraw/zinc/64/11/49/501641149.db2.gz SFGBFGKYCJKVNA-UHFFFAOYSA-N -1 3 362.271 3.440 20 0 FGADHM O=c1cc(CN2CCC(Oc3ccccn3)CC2)nc(-c2ccccc2)[n-]1 ZINC000459380013 501642934 /nfs/dbraw/zinc/64/29/34/501642934.db2.gz PYLAFVAQORLESG-UHFFFAOYSA-N -1 3 362.433 3.288 20 0 FGADHM C[C@@H]1CN(C(C)(C)CNCc2cccc([O-])c2Br)C[C@H](C)O1 ZINC000459383044 501643501 /nfs/dbraw/zinc/64/35/01/501643501.db2.gz ULNWPTFEMIWFCD-BETUJISGSA-N -1 3 371.319 3.132 20 0 FGADHM CCOc1cc(CNc2ccc(OCCOC)nc2)cc(Cl)c1[O-] ZINC000459448077 501655478 /nfs/dbraw/zinc/65/54/78/501655478.db2.gz KLPYSEUWAYDANU-UHFFFAOYSA-N -1 3 352.818 3.477 20 0 FGADHM O=C(Cc1ccc([O-])c(F)c1)N1CCC2(CC1)OCCc1ccccc12 ZINC000457136577 501657099 /nfs/dbraw/zinc/65/70/99/501657099.db2.gz LJFXOXKNWKXXNL-UHFFFAOYSA-N -1 3 355.409 3.164 20 0 FGADHM CCOc1cc(CN2CCOC[C@@H]2[C@@H]2CCCC2=O)cc(Cl)c1[O-] ZINC000459499412 501664655 /nfs/dbraw/zinc/66/46/55/501664655.db2.gz AMBBVIZJAHLIPZ-DZGCQCFKSA-N -1 3 353.846 3.014 20 0 FGADHM CCN1CCN(c2ccc(C(=O)Nc3ccc(F)c(F)c3[O-])cc2)CC1 ZINC000457290548 501676634 /nfs/dbraw/zinc/67/66/34/501676634.db2.gz JDTNYXHPWMNXEF-UHFFFAOYSA-N -1 3 361.392 3.065 20 0 FGADHM CC(C)(C[C@@H]1CCCN(Cc2cccc([O-])c2Br)C1)C(N)=O ZINC000459563886 501677502 /nfs/dbraw/zinc/67/75/02/501677502.db2.gz HJFHBZWFYMPXKI-LBPRGKRZSA-N -1 3 369.303 3.268 20 0 FGADHM CCc1ccc([C@@H]2CCN(C(=O)N=c3cc(OC(F)F)n(C)[n-]3)C2)cc1 ZINC000455196565 501705767 /nfs/dbraw/zinc/70/57/67/501705767.db2.gz AMJYOHNMEXQNEB-CQSZACIVSA-N -1 3 364.396 3.027 20 0 FGADHM CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cc2cn[nH]c2cc1C ZINC000481297595 501736328 /nfs/dbraw/zinc/73/63/28/501736328.db2.gz XUXIZXLYEZXLQE-UHFFFAOYSA-N -1 3 372.450 3.275 20 0 FGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]C[C@H](C)Cn1cccn1 ZINC000470629370 501749182 /nfs/dbraw/zinc/74/91/82/501749182.db2.gz UYAGEYOUZTUGGZ-NSHDSACASA-N -1 3 367.858 3.206 20 0 FGADHM Cc1nc(-c2ccccc2NC(=O)Cc2c(C)nc(C)[n-]c2=O)cs1 ZINC000477694994 501761589 /nfs/dbraw/zinc/76/15/89/501761589.db2.gz XNDYLTLPWIATSD-UHFFFAOYSA-N -1 3 354.435 3.412 20 0 FGADHM O=S(=O)([N-][C@@H](CO)c1c(Cl)cccc1Cl)c1ccccc1F ZINC000481495565 501792020 /nfs/dbraw/zinc/79/20/20/501792020.db2.gz UDSPVHSUUPIBIS-LBPRGKRZSA-N -1 3 364.225 3.144 20 0 FGADHM Cc1cc(=NC(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)[n-]nc1C ZINC000467469861 501801950 /nfs/dbraw/zinc/80/19/50/501801950.db2.gz PTBZGLHGQCXZHB-INIZCTEOSA-N -1 3 373.526 3.172 20 0 FGADHM COCc1nc(S[C@@H](C(=O)Nc2cccc3ncccc32)C(C)C)n[n-]1 ZINC000474383822 501815050 /nfs/dbraw/zinc/81/50/50/501815050.db2.gz GDPJFEXAWGODSZ-MRXNPFEDSA-N -1 3 371.466 3.255 20 0 FGADHM CCOC[C@@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)C(C)C ZINC000474382861 501815370 /nfs/dbraw/zinc/81/53/70/501815370.db2.gz XNGMSXKMQHHOBK-GFCCVEGCSA-N -1 3 357.369 3.184 20 0 FGADHM CC(C)(CNC(=O)c1ccc([N-]S(C)(=O)=O)cc1)C1=CCCCC1 ZINC000477907156 501826080 /nfs/dbraw/zinc/82/60/80/501826080.db2.gz VGIAGRFMGXMJMU-UHFFFAOYSA-N -1 3 350.484 3.315 20 0 FGADHM CCOC(=O)c1c(C(C)C)csc1[N-]C(=O)C(=O)N1CCCC1(C)C ZINC000467634947 501836786 /nfs/dbraw/zinc/83/67/86/501836786.db2.gz KJSIFVACVABFQT-UHFFFAOYSA-N -1 3 366.483 3.388 20 0 FGADHM O=C(N[C@@H]1C[C@H]1c1ccc(Br)s1)c1ccc2n[n-]nc2c1 ZINC000478000961 501849445 /nfs/dbraw/zinc/84/94/45/501849445.db2.gz LUSFNSCDDXFOLQ-PSASIEDQSA-N -1 3 363.240 3.068 20 0 FGADHM COc1ccc(C(=O)N=c2cc(-c3cc(F)cc(F)c3)[n-][nH]2)c(OC)c1 ZINC000467708971 501849941 /nfs/dbraw/zinc/84/99/41/501849941.db2.gz NRWNKNXQUKCMFK-UHFFFAOYSA-N -1 3 359.332 3.046 20 0 FGADHM C[C@]1(C[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)CCCS1 ZINC000467772608 501867739 /nfs/dbraw/zinc/86/77/39/501867739.db2.gz QSSJTNLZALKVAO-GFCCVEGCSA-N -1 3 357.394 3.409 20 0 FGADHM Cc1ccc([C@H]2OCCC[C@@H]2[N-]S(=O)(=O)c2ccc(F)cc2F)cc1 ZINC000467792342 501874582 /nfs/dbraw/zinc/87/45/82/501874582.db2.gz DVPJLKGUGWMGGG-FUHWJXTLSA-N -1 3 367.417 3.472 20 0 FGADHM CCCc1nc(C)c(NC(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)s1 ZINC000485619729 501879052 /nfs/dbraw/zinc/87/90/52/501879052.db2.gz JKWUNUBHVWYSCY-UHFFFAOYSA-N -1 3 371.459 3.167 20 0 FGADHM C[C@H](Sc1ccccn1)C(=O)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1 ZINC000467805600 501879800 /nfs/dbraw/zinc/87/98/00/501879800.db2.gz DTCIEISEBFWYNF-JTQLQIEISA-N -1 3 360.389 3.291 20 0 FGADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)c1cc(C2CC2)nc2ccccc21 ZINC000481892588 501911037 /nfs/dbraw/zinc/91/10/37/501911037.db2.gz LRDLMEWDLKBSPA-UHFFFAOYSA-N -1 3 361.327 3.179 20 0 FGADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)c1cc(C2CC2)nc2ccccc21 ZINC000481892588 501911041 /nfs/dbraw/zinc/91/10/41/501911041.db2.gz LRDLMEWDLKBSPA-UHFFFAOYSA-N -1 3 361.327 3.179 20 0 FGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1cc(C2CC2)nc2ccccc21 ZINC000481892588 501911045 /nfs/dbraw/zinc/91/10/45/501911045.db2.gz LRDLMEWDLKBSPA-UHFFFAOYSA-N -1 3 361.327 3.179 20 0 FGADHM Cc1nc(C)c(CC(=O)NCC(C)(C)c2c(F)cccc2Cl)c(=O)[n-]1 ZINC000464170671 501913029 /nfs/dbraw/zinc/91/30/29/501913029.db2.gz RJRDRLLOKWZZQD-UHFFFAOYSA-N -1 3 365.836 3.228 20 0 FGADHM O=S(=O)([N-]Cc1cccc(-c2cccnc2)c1)c1cncc(Cl)c1 ZINC000464183617 501915940 /nfs/dbraw/zinc/91/59/40/501915940.db2.gz DRMXJPOWZUSUOF-UHFFFAOYSA-N -1 3 359.838 3.276 20 0 FGADHM O=C(N[C@H](Cc1ccccc1)[C@@H](O)C(F)F)c1cc([O-])ccc1Cl ZINC000481942663 501925128 /nfs/dbraw/zinc/92/51/28/501925128.db2.gz HFJDUSASTYLJCX-HUUCEWRRSA-N -1 3 355.768 3.013 20 0 FGADHM Cc1cc(C)c(NC(=O)NCc2ncccc2[O-])cc1Br ZINC000468009537 501928832 /nfs/dbraw/zinc/92/88/32/501928832.db2.gz NAPOCPFQEXPVMM-UHFFFAOYSA-N -1 3 350.216 3.488 20 0 FGADHM CC(C)(CF)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000474759748 501942899 /nfs/dbraw/zinc/94/28/99/501942899.db2.gz RLCCYCIKZFYVFL-UHFFFAOYSA-N -1 3 368.405 3.104 20 0 FGADHM CCCOc1nc(C)ccc1C(=O)Nc1nc2cccc(C(=O)OC)c2[n-]1 ZINC000478330751 501946013 /nfs/dbraw/zinc/94/60/13/501946013.db2.gz 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/nfs/dbraw/zinc/97/39/31/501973931.db2.gz LXIYRIFIXOZBRE-UHFFFAOYSA-N -1 3 351.410 3.209 20 0 FGADHM Cc1ccc(CC(=O)Nc2ccccc2[N-]S(C)(=O)=O)c(Cl)c1 ZINC000474905861 501987220 /nfs/dbraw/zinc/98/72/20/501987220.db2.gz ARUOVYKRTRMKCP-UHFFFAOYSA-N -1 3 352.843 3.201 20 0 FGADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]CCN1CCCC[C@H]1C ZINC000471312088 501987344 /nfs/dbraw/zinc/98/73/44/501987344.db2.gz XTZFAAPKOYUFEM-GFCCVEGCSA-N -1 3 354.447 3.033 20 0 FGADHM O=C([N-]c1cc(-c2nc[nH]n2)ccc1F)c1ccc(Br)o1 ZINC000468204492 501988503 /nfs/dbraw/zinc/98/85/03/501988503.db2.gz BXOBPJJOELVPDU-UHFFFAOYSA-N -1 3 351.135 3.219 20 0 FGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)N1Cc2ccccc2C1 ZINC000482183926 502001442 /nfs/dbraw/zinc/00/14/42/502001442.db2.gz IHFOAMRYGWYVSB-UHFFFAOYSA-N -1 3 357.211 3.066 20 0 FGADHM C[C@@H](c1cccnc1)N(C)C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482199057 502005253 /nfs/dbraw/zinc/00/52/53/502005253.db2.gz JKIRRCXCFPNAKV-NSHDSACASA-N -1 3 374.242 3.139 20 0 FGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)N1CC(C2CCCC2)C1 ZINC000482232800 502014867 /nfs/dbraw/zinc/01/48/67/502014867.db2.gz PCXLKCGJPPFKCY-UHFFFAOYSA-N -1 3 363.259 3.173 20 0 FGADHM COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]c1c(C)cccc1Cl ZINC000461111558 502016656 /nfs/dbraw/zinc/01/66/56/502016656.db2.gz ZSHWIBMPIGSZNY-UHFFFAOYSA-N -1 3 368.842 3.416 20 0 FGADHM CCOCCC1(CNC(=O)Cc2ccc(Br)cc2[O-])CCC1 ZINC000478559100 502017410 /nfs/dbraw/zinc/01/74/10/502017410.db2.gz CUJXAWQYYZTKSB-UHFFFAOYSA-N -1 3 370.287 3.410 20 0 FGADHM C[C@@H](CNC(=O)CCCc1ccc([O-])c(F)c1)N1CCc2ccccc21 ZINC000468314795 502022927 /nfs/dbraw/zinc/02/29/27/502022927.db2.gz DLNIKLCYNPOALB-HNNXBMFYSA-N -1 3 356.441 3.421 20 0 FGADHM CCCCn1c2nc(-c3cc([O-])cc(F)c3)n(CC(C)C)c2c(=O)[nH]c1=O ZINC000471427337 502024637 /nfs/dbraw/zinc/02/46/37/502024637.db2.gz MMIZUFWXZXAZPZ-UHFFFAOYSA-N -1 3 374.416 3.266 20 0 FGADHM O=C(NC1(c2cccc(F)c2)CCOCC1)c1cc(=O)c2ccccc2[n-]1 ZINC000464552579 502025292 /nfs/dbraw/zinc/02/52/92/502025292.db2.gz 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ZINC000478695666 502059946 /nfs/dbraw/zinc/05/99/46/502059946.db2.gz KOZKXFRBMMJMIY-UHFFFAOYSA-N -1 3 369.389 3.477 20 0 FGADHM Cc1nc(C)c(CC(=O)NCc2ccc(-c3ccco3)cc2F)c(=O)[n-]1 ZINC000468463432 502066105 /nfs/dbraw/zinc/06/61/05/502066105.db2.gz YAUBUYZXWWYCBI-UHFFFAOYSA-N -1 3 355.369 3.057 20 0 FGADHM CCOc1cc(C(=O)NC[C@@H]2N(C)CCCC2(C)C)cc(Cl)c1[O-] ZINC000468471309 502069957 /nfs/dbraw/zinc/06/99/57/502069957.db2.gz VDEJBKUCWKTFNY-HNNXBMFYSA-N -1 3 354.878 3.295 20 0 FGADHM COC(=O)[C@H](C[C@H]1CCCc2ccccc21)NCc1nc(C)ccc1[O-] ZINC000475140227 502077027 /nfs/dbraw/zinc/07/70/27/502077027.db2.gz PXLTYJGXZMOUCJ-AEFFLSMTSA-N -1 3 354.450 3.237 20 0 FGADHM O=S(=O)(C=C([O-])c1cnc2[nH]cccc1-2)c1ccccc1C(F)(F)F ZINC000468486126 502077101 /nfs/dbraw/zinc/07/71/01/502077101.db2.gz CIHMDNSQVILYBZ-UHFFFAOYSA-N -1 3 368.336 3.238 20 0 FGADHM O=C(NCc1ccc([O-])c(Br)c1)NCc1ccc(F)cc1F ZINC000482478654 502080970 /nfs/dbraw/zinc/08/09/70/502080970.db2.gz NOUXJIXSQMJWSI-UHFFFAOYSA-N -1 3 371.181 3.432 20 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/nfs/dbraw/zinc/13/98/93/502139893.db2.gz RFWIRIGWVLBZJR-UHFFFAOYSA-N -1 3 364.228 3.251 20 0 FGADHM Cc1cc(C(=O)Nc2nc(-c3ccccn3)n[n-]2)c(Br)s1 ZINC000471799654 502139896 /nfs/dbraw/zinc/13/98/96/502139896.db2.gz RFWIRIGWVLBZJR-UHFFFAOYSA-N -1 3 364.228 3.251 20 0 FGADHM COc1ccc(-c2n[n-]cc2C(=O)Nc2nc3ccc(F)cc3n2C)cc1 ZINC000468672700 502141859 /nfs/dbraw/zinc/14/18/59/502141859.db2.gz ZMBUHENMFHZTDR-UHFFFAOYSA-N -1 3 365.368 3.363 20 0 FGADHM O=C1N[C@H](Cc2cccc3ccccc32)C(=O)N1Cc1ccc([O-])c(F)c1 ZINC000479040553 502144757 /nfs/dbraw/zinc/14/47/57/502144757.db2.gz HCWOYJDHEIKGOF-GOSISDBHSA-N -1 3 364.376 3.348 20 0 FGADHM CC(C)[C@@H](Cc1ccccc1)C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C ZINC000461612560 502153235 /nfs/dbraw/zinc/15/32/35/502153235.db2.gz IVSANIHPZSGCKT-OAHLLOKOSA-N -1 3 367.449 3.036 20 0 FGADHM CCc1ccc(C(C)(C)C(=O)Nc2cc3c(cc2[O-])n(C)c(=O)n3C)cc1 ZINC000461612513 502153998 /nfs/dbraw/zinc/15/39/98/502153998.db2.gz HXQCUVPHTAVPJY-UHFFFAOYSA-N -1 3 367.449 3.061 20 0 FGADHM Cn1c2cc([O-])c(NC(=O)c3ccc4c5c(cccc53)CC4)cc2n(C)c1=O ZINC000461626138 502157860 /nfs/dbraw/zinc/15/78/60/502157860.db2.gz LLTDVQNUUZMSGJ-UHFFFAOYSA-N -1 3 373.412 3.087 20 0 FGADHM CC(C)Oc1ccc([C@@H](C)NC(=O)NCc2nnc(C(F)(F)F)[n-]2)cc1 ZINC000482734593 502164775 /nfs/dbraw/zinc/16/47/75/502164775.db2.gz OWKYBRAIKSSQIY-SNVBAGLBSA-N -1 3 371.363 3.171 20 0 FGADHM CC(C)Oc1ccc([C@@H](C)NC(=O)NCc2n[n-]c(C(F)(F)F)n2)cc1 ZINC000482734593 502164781 /nfs/dbraw/zinc/16/47/81/502164781.db2.gz OWKYBRAIKSSQIY-SNVBAGLBSA-N -1 3 371.363 3.171 20 0 FGADHM CC(C)Oc1ccc([C@@H](C)NC(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000482734593 502164785 /nfs/dbraw/zinc/16/47/85/502164785.db2.gz OWKYBRAIKSSQIY-SNVBAGLBSA-N -1 3 371.363 3.171 20 0 FGADHM O=C(CCCc1ccc([O-])c(F)c1)NCCOc1ncccc1Cl ZINC000468791970 502184938 /nfs/dbraw/zinc/18/49/38/502184938.db2.gz BRFKMDRHMOZPLF-UHFFFAOYSA-N -1 3 352.793 3.098 20 0 FGADHM CCC(CC)N(CC(C)C)C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C)c1 ZINC000486541571 502185126 /nfs/dbraw/zinc/18/51/26/502185126.db2.gz SRNBCPJXNNPESK-UHFFFAOYSA-N -1 3 373.494 3.412 20 0 FGADHM Cc1ccc(-c2cc(C(=O)Nc3ccc(OCC(C)(C)O)cc3)n[n-]2)o1 ZINC000475492377 502189234 /nfs/dbraw/zinc/18/92/34/502189234.db2.gz KLPDPKYFFKBJKE-UHFFFAOYSA-N -1 3 355.394 3.380 20 0 FGADHM Cc1ccc(-c2cc(C(=O)Nc3ccc(OCC(C)(C)O)cc3)[n-]n2)o1 ZINC000475492377 502189240 /nfs/dbraw/zinc/18/92/40/502189240.db2.gz KLPDPKYFFKBJKE-UHFFFAOYSA-N -1 3 355.394 3.380 20 0 FGADHM CC[C@@H](COC)[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000468806363 502190387 /nfs/dbraw/zinc/19/03/87/502190387.db2.gz BWMQHKXWPYFUOP-AWEZNQCLSA-N -1 3 361.891 3.222 20 0 FGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H](C)Oc1ccc(C)cc1 ZINC000486584087 502199099 /nfs/dbraw/zinc/19/90/99/502199099.db2.gz UNTOMRGSPUVYLV-ZDUSSCGKSA-N -1 3 369.870 3.403 20 0 FGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1C[C@@H]1Cc1ccccc1 ZINC000486586226 502199794 /nfs/dbraw/zinc/19/97/94/502199794.db2.gz NSWSMUXWBPBWEL-ZFWWWQNUSA-N -1 3 351.855 3.258 20 0 FGADHM Cc1cccc(F)c1S(=O)(=O)[N-]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000475535829 502206166 /nfs/dbraw/zinc/20/61/66/502206166.db2.gz XYXLRVARJKMTEH-UHFFFAOYSA-N -1 3 371.817 3.037 20 0 FGADHM CC[C@H](C)c1nc([C@@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2F)n[nH]1 ZINC000486629308 502214011 /nfs/dbraw/zinc/21/40/11/502214011.db2.gz MSFYQVXCWDURKR-DTWKUNHWSA-N -1 3 360.842 3.150 20 0 FGADHM O=C(CNCc1cc([O-])cc(F)c1)Nc1cccc(Br)c1 ZINC000472061675 502215557 /nfs/dbraw/zinc/21/55/57/502215557.db2.gz DSRYFCNBMKLMSI-UHFFFAOYSA-N -1 3 353.191 3.022 20 0 FGADHM CC[C@@H](C)c1nc([C@@H](C)[N-]S(=O)(=O)c2cc(OC)ccc2Cl)n[nH]1 ZINC000486636672 502215651 /nfs/dbraw/zinc/21/56/51/502215651.db2.gz DRLYAEIITCSGBR-NXEZZACHSA-N -1 3 372.878 3.020 20 0 FGADHM Cc1ccc2[nH]c3c(c2c1)C[C@H]([N-]S(=O)(=O)c1ccccc1F)CC3 ZINC000486647919 502218707 /nfs/dbraw/zinc/21/87/07/502218707.db2.gz YAJDAZQPLMNOKV-CYBMUJFWSA-N -1 3 358.438 3.451 20 0 FGADHM CC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(F)ccc1OCCOC ZINC000468908723 502226382 /nfs/dbraw/zinc/22/63/82/502226382.db2.gz KGGSXTDMFJKFNS-UKRRQHHQSA-N -1 3 359.463 3.098 20 0 FGADHM CCOc1ncc(C(=O)[N-]c2nnc(-c3ccco3)s2)cc1Cl ZINC000486679751 502229506 /nfs/dbraw/zinc/22/95/06/502229506.db2.gz BIDYDFWCCGSBMG-UHFFFAOYSA-N -1 3 350.787 3.498 20 0 FGADHM Cc1noc(C)c1CC[N-]S(=O)(=O)c1oc2ccc(F)cc2c1C ZINC000472109867 502234930 /nfs/dbraw/zinc/23/49/30/502234930.db2.gz FCXOXABOEAPHDE-UHFFFAOYSA-N -1 3 352.387 3.006 20 0 FGADHM O=C(NCc1ccc(-n2cnc3ccccc32)cc1)c1csc(=O)[n-]1 ZINC000472146499 502248131 /nfs/dbraw/zinc/24/81/31/502248131.db2.gz XUFDJBLSRSDGCE-UHFFFAOYSA-N -1 3 350.403 3.118 20 0 FGADHM CN(C)Cc1ccc(CNC(=O)CCCc2ccc([O-])c(F)c2)cc1F ZINC000468975670 502249334 /nfs/dbraw/zinc/24/93/34/502249334.db2.gz NMGGHRWLYBGQSI-UHFFFAOYSA-N -1 3 362.420 3.371 20 0 FGADHM O=S(=O)([N-][C@H](CCO)c1ccco1)c1c(Cl)ccc2ccccc21 ZINC000468995158 502256382 /nfs/dbraw/zinc/25/63/82/502256382.db2.gz QJEKBADGUCRTIJ-OAHLLOKOSA-N -1 3 365.838 3.488 20 0 FGADHM Cc1ccc(-c2nnc(NC(=O)Cc3csc(-c4ccoc4)n3)[n-]2)o1 ZINC000479461671 502266742 /nfs/dbraw/zinc/26/67/42/502266742.db2.gz COMULSWYNFPCAD-UHFFFAOYSA-N -1 3 355.379 3.271 20 0 FGADHM Cc1ccc(-c2n[n-]c(NC(=O)Cc3csc(-c4ccoc4)n3)n2)o1 ZINC000479461671 502266747 /nfs/dbraw/zinc/26/67/47/502266747.db2.gz COMULSWYNFPCAD-UHFFFAOYSA-N -1 3 355.379 3.271 20 0 FGADHM Cc1ccc(-c2nc(NC(=O)Cc3csc(-c4ccoc4)n3)n[n-]2)o1 ZINC000479461671 502266752 /nfs/dbraw/zinc/26/67/52/502266752.db2.gz COMULSWYNFPCAD-UHFFFAOYSA-N -1 3 355.379 3.271 20 0 FGADHM CCCCNC(=O)[C@H]1CCCN(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000469049200 502277688 /nfs/dbraw/zinc/27/76/88/502277688.db2.gz WGZQRHIYPRKNOU-INIZCTEOSA-N -1 3 364.461 3.009 20 0 FGADHM O=C(NCc1nc(-c2ccccc2F)cs1)NCc1ncccc1[O-] ZINC000472242712 502283097 /nfs/dbraw/zinc/28/30/97/502283097.db2.gz SHIYEFQCEMTFEL-UHFFFAOYSA-N -1 3 358.398 3.049 20 0 FGADHM O=C(CCc1ncccn1)N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1 ZINC000462040684 502283857 /nfs/dbraw/zinc/28/38/57/502283857.db2.gz OANILHRXAMFEDO-UHFFFAOYSA-N -1 3 362.220 3.167 20 0 FGADHM O=S(=O)([N-][C@H]1[C@@H]2CCC[C@@H]21)c1ccc(Cl)c(Br)c1 ZINC000486861177 502286470 /nfs/dbraw/zinc/28/64/70/502286470.db2.gz ZAOAOEAXHUIVTQ-GDGBQDQQSA-N -1 3 350.665 3.179 20 0 FGADHM Cc1cccc(F)c1S(=O)(=O)[N-]CCc1nc(C(C)(C)C)cs1 ZINC000475783623 502290798 /nfs/dbraw/zinc/29/07/98/502290798.db2.gz VPVXVHYTSQJKLL-UHFFFAOYSA-N -1 3 356.488 3.409 20 0 FGADHM CN(C)Cc1ccc(NC(=O)c2nn(-c3ccccc3F)cc2[O-])cc1 ZINC000472298702 502304982 /nfs/dbraw/zinc/30/49/82/502304982.db2.gz OQJNCZDBKOYIAW-UHFFFAOYSA-N -1 3 354.385 3.031 20 0 FGADHM O=S(=O)([N-][C@H]1COc2ccccc2C1)c1ccc(C(F)(F)F)s1 ZINC000462098536 502306706 /nfs/dbraw/zinc/30/67/06/502306706.db2.gz CVTTUWIJQJQZNU-SNVBAGLBSA-N -1 3 363.382 3.049 20 0 FGADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2n2cccn2)c(Cl)cc1F ZINC000472307975 502308771 /nfs/dbraw/zinc/30/87/71/502308771.db2.gz BOVHNALZEISHKR-HUUCEWRRSA-N -1 3 371.865 3.446 20 0 FGADHM COC(=O)c1ccc(Cl)c([N-]C(=O)c2cc(-c3ccccn3)no2)c1 ZINC000462110165 502310694 /nfs/dbraw/zinc/31/06/94/502310694.db2.gz SLLYYXYYGJVKPC-UHFFFAOYSA-N -1 3 357.753 3.429 20 0 FGADHM CCc1cc(C(=O)N[C@@H](CO)c2cccc(Br)c2)ccc1[O-] ZINC000486943742 502312247 /nfs/dbraw/zinc/31/22/47/502312247.db2.gz OKUWQUCBCQEMME-HNNXBMFYSA-N -1 3 364.239 3.181 20 0 FGADHM Cc1ccc(S(=O)(=O)CCC(=O)N2CC[C@@H](C)c3cccc([O-])c32)cc1 ZINC000469174287 502324810 /nfs/dbraw/zinc/32/48/10/502324810.db2.gz ILUPIVQIBUNKME-OAHLLOKOSA-N -1 3 373.474 3.405 20 0 FGADHM Cc1cc(C)c(CS(=O)(=O)c2nnc(Cc3ccccc3)[n-]2)c(C)c1 ZINC000479663853 502336786 /nfs/dbraw/zinc/33/67/86/502336786.db2.gz SWINFMJLDNWUNX-UHFFFAOYSA-N -1 3 355.463 3.295 20 0 FGADHM C[C@H]1CCN(C(=O)CCc2nc3ccccc3oc2=O)c2c([O-])cccc21 ZINC000469218445 502340952 /nfs/dbraw/zinc/34/09/52/502340952.db2.gz NTFNPQQXJLPMAS-ZDUSSCGKSA-N -1 3 364.401 3.367 20 0 FGADHM COC(=O)[C@@H]1CN(C(=O)CCCc2ccc([O-])c(F)c2)c2ccccc21 ZINC000469223600 502341664 /nfs/dbraw/zinc/34/16/64/502341664.db2.gz NTPGGAKEDGUPKQ-OAHLLOKOSA-N -1 3 357.381 3.157 20 0 FGADHM COCCOc1ccc(F)cc1S(=O)(=O)[N-][C@@H](C)CCCC(C)C ZINC000469224310 502342623 /nfs/dbraw/zinc/34/26/23/502342623.db2.gz RBMPPPIYUXONDR-AWEZNQCLSA-N -1 3 361.479 3.344 20 0 FGADHM CN(Cc1ccc([S@](C)=O)cc1)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000469253549 502351506 /nfs/dbraw/zinc/35/15/06/502351506.db2.gz OXVIYUSIKHVMGA-VWLOTQADSA-N -1 3 363.454 3.250 20 0 FGADHM C[C@@]1(C[N-]S(=O)(=O)c2cc(Cl)ccc2OCC2CCC2)CCOC1 ZINC000469262248 502354791 /nfs/dbraw/zinc/35/47/91/502354791.db2.gz LWZHJVAUSJLHMG-KRWDZBQOSA-N -1 3 373.902 3.224 20 0 FGADHM O=S(=O)([N-]C[C@H]1SCCc2ccccc21)c1cc(F)cc(F)c1 ZINC000487107260 502360896 /nfs/dbraw/zinc/36/08/96/502360896.db2.gz JKMLFDUHOINLSF-MRXNPFEDSA-N -1 3 355.431 3.274 20 0 FGADHM O=S(=O)([N-]C[C@@H]1SCCc2ccccc21)c1cc(F)cc(F)c1 ZINC000487107256 502361061 /nfs/dbraw/zinc/36/10/61/502361061.db2.gz JKMLFDUHOINLSF-INIZCTEOSA-N -1 3 355.431 3.274 20 0 FGADHM O=C(CCC(=O)c1ccc(F)cc1)Nc1nnc(-c2c(F)cccc2F)[n-]1 ZINC000479758582 502369066 /nfs/dbraw/zinc/36/90/66/502369066.db2.gz VRCIRMGPQFYJEO-UHFFFAOYSA-N -1 3 374.322 3.491 20 0 FGADHM O=C(CCC(=O)c1ccc(F)cc1)Nc1nc(-c2c(F)cccc2F)n[n-]1 ZINC000479758582 502369069 /nfs/dbraw/zinc/36/90/69/502369069.db2.gz VRCIRMGPQFYJEO-UHFFFAOYSA-N -1 3 374.322 3.491 20 0 FGADHM O=C(CCC(=O)c1ccc(F)cc1)Nc1n[n-]c(-c2c(F)cccc2F)n1 ZINC000479758582 502369077 /nfs/dbraw/zinc/36/90/77/502369077.db2.gz VRCIRMGPQFYJEO-UHFFFAOYSA-N -1 3 374.322 3.491 20 0 FGADHM CSc1cccc(NC(=O)NCCCNC(=O)c2cccc([O-])c2)c1 ZINC000479762219 502370035 /nfs/dbraw/zinc/37/00/35/502370035.db2.gz AJWZPCBTHOJJCT-UHFFFAOYSA-N -1 3 359.451 3.056 20 0 FGADHM CO[C@@H](CC[N-]S(=O)(=O)c1ccc(C(C)(C)C)s1)C(F)(F)F ZINC000469322829 502375157 /nfs/dbraw/zinc/37/51/57/502375157.db2.gz YDYHPYYXQDZZNN-VIFPVBQESA-N -1 3 359.435 3.291 20 0 FGADHM COc1cc(S(=O)(=O)[N-][C@@H](CC(C)(C)C)C(F)(F)F)ccc1F ZINC000469331625 502378323 /nfs/dbraw/zinc/37/83/23/502378323.db2.gz CNUDYQMHQDNNHZ-LBPRGKRZSA-N -1 3 357.369 3.480 20 0 FGADHM CCc1ccc([C@H](COC)[N-]S(=O)(=O)Cc2ccccc2Cl)o1 ZINC000462312513 502388287 /nfs/dbraw/zinc/38/82/87/502388287.db2.gz HKXBWNVJIWFLIE-HNNXBMFYSA-N -1 3 357.859 3.303 20 0 FGADHM CCn1nnnc1-c1cccc(NC(=O)CCCc2ccc([O-])c(F)c2)c1 ZINC000469375312 502391286 /nfs/dbraw/zinc/39/12/86/502391286.db2.gz NPIMFYWYNJPYFZ-UHFFFAOYSA-N -1 3 369.400 3.166 20 0 FGADHM CCC(CC)[C@@H](C(=O)Nc1ccc([O-])c(C(F)(F)F)c1)N1CCOCC1 ZINC000476140458 502396350 /nfs/dbraw/zinc/39/63/50/502396350.db2.gz GMWYIADAMWPVFP-INIZCTEOSA-N -1 3 374.403 3.487 20 0 FGADHM CC(C)(C)[C@@H]1OCCC[C@@H]1C[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000462339561 502399743 /nfs/dbraw/zinc/39/97/43/502399743.db2.gz YQFNDYMFMQIFGH-MEBBXXQBSA-N -1 3 365.417 3.224 20 0 FGADHM Cc1ccc([C@@H](C)C[N-]S(=O)(=O)c2ccc(Br)cn2)cc1 ZINC000462344658 502401728 /nfs/dbraw/zinc/40/17/28/502401728.db2.gz CYNZRHXZWCYXPY-LBPRGKRZSA-N -1 3 369.284 3.235 20 0 FGADHM C[S@@](=O)C[C@@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1ccccc1 ZINC000469403471 502402174 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CC(C)[C@H](c1ccccc1)N(C)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000483539736 502425232 /nfs/dbraw/zinc/42/52/32/502425232.db2.gz FMTVBCIUXQUTJC-CYBMUJFWSA-N -1 3 355.364 3.362 20 0 FGADHM C[C@H]1CCN(C(=O)NCc2nnc(C(F)(F)F)[n-]2)[C@H]1c1cccc(F)c1 ZINC000483548025 502427575 /nfs/dbraw/zinc/42/75/75/502427575.db2.gz WBTQAYSHEFUEJE-TVQRCGJNSA-N -1 3 371.338 3.255 20 0 FGADHM C[C@H]1CCN(C(=O)NCc2n[n-]c(C(F)(F)F)n2)[C@H]1c1cccc(F)c1 ZINC000483548025 502427580 /nfs/dbraw/zinc/42/75/80/502427580.db2.gz WBTQAYSHEFUEJE-TVQRCGJNSA-N -1 3 371.338 3.255 20 0 FGADHM C[C@H]1CCN(C(=O)NCc2nc(C(F)(F)F)n[n-]2)[C@H]1c1cccc(F)c1 ZINC000483548025 502427583 /nfs/dbraw/zinc/42/75/83/502427583.db2.gz WBTQAYSHEFUEJE-TVQRCGJNSA-N -1 3 371.338 3.255 20 0 FGADHM COc1ccc(S(=O)(=O)[N-][C@@H](C)CC(C)(C)OC)c(Cl)c1Cl ZINC000462415952 502429739 /nfs/dbraw/zinc/42/97/39/502429739.db2.gz IPAUUGVJBIDKHY-VIFPVBQESA-N -1 3 370.298 3.484 20 0 FGADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)N(Cc1ccc(F)cc1)CC1CC1 ZINC000483554704 502430083 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FGADHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCCOc3c(F)cccc32)c(F)c1 ZINC000479972903 502435302 /nfs/dbraw/zinc/43/53/02/502435302.db2.gz WZMOGYYPHYKTEE-HNNXBMFYSA-N -1 3 353.390 3.465 20 0 FGADHM CCCc1n[n-]c(=NC(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)s1 ZINC000472790746 502441884 /nfs/dbraw/zinc/44/18/84/502441884.db2.gz OMMYJCWUWAAZMT-MRXNPFEDSA-N -1 3 373.526 3.041 20 0 FGADHM COCC[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)c1ccc(C)o1 ZINC000480001397 502442186 /nfs/dbraw/zinc/44/21/86/502442186.db2.gz YHMAMJOVFUCWLI-ZDUSSCGKSA-N -1 3 361.822 3.437 20 0 FGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1ccc(Cl)c(N)c1Cl ZINC000469523454 502450867 /nfs/dbraw/zinc/45/08/67/502450867.db2.gz JRHJXINOGFUORB-UHFFFAOYSA-N -1 3 374.249 3.199 20 0 FGADHM COC(=O)[C@@H](C[N-]S(=O)(=O)c1cccc(Cl)c1Cl)CC(C)C ZINC000462494834 502464037 /nfs/dbraw/zinc/46/40/37/502464037.db2.gz MSMABGMBMLPLBX-SNVBAGLBSA-N -1 3 368.282 3.107 20 0 FGADHM C[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CCN1C ZINC000462498187 502465393 /nfs/dbraw/zinc/46/53/93/502465393.db2.gz CYLTYOCRBCTCPD-GXSJLCMTSA-N -1 3 370.824 3.120 20 0 FGADHM COc1ccccc1-c1cc(=NC(=O)Cc2csc(C(C)(C)C)n2)[nH][n-]1 ZINC000588699223 506315426 /nfs/dbraw/zinc/31/54/26/506315426.db2.gz LDKDCNSKHJYKBG-UHFFFAOYSA-N -1 3 370.478 3.442 20 0 FGADHM O=S(=O)([N-]CCCOCCc1ccccc1)c1cc(F)c(F)c(F)c1 ZINC000462543985 502481120 /nfs/dbraw/zinc/48/11/20/502481120.db2.gz VFVYMQYMISLRMC-UHFFFAOYSA-N -1 3 373.396 3.032 20 0 FGADHM O=S(=O)([N-][C@H]1CCN(CC2CCCC2)C1)c1cc(F)ccc1Cl ZINC000462570454 502491003 /nfs/dbraw/zinc/49/10/03/502491003.db2.gz HQSCLYWQJNUPPF-AWEZNQCLSA-N -1 3 360.882 3.022 20 0 FGADHM CCCc1ncc(C(=O)[N-]c2n[nH]c(-c3ccc(OC)c(OC)c3)n2)s1 ZINC000607909287 506317466 /nfs/dbraw/zinc/31/74/66/506317466.db2.gz TWUHFUVPKUCGMG-UHFFFAOYSA-N -1 3 373.438 3.150 20 0 FGADHM Cc1cccc(F)c1S(=O)(=O)[N-][C@@H]1CCCOc2c(F)cccc21 ZINC000476507340 502508542 /nfs/dbraw/zinc/50/85/42/502508542.db2.gz JCEVOMRHZIVSPV-OAHLLOKOSA-N -1 3 353.390 3.465 20 0 FGADHM O=C(c1cc([O-])ccc1C(F)(F)F)N1CC[C@H](Oc2ccncc2)C1 ZINC000473203785 502541825 /nfs/dbraw/zinc/54/18/25/502541825.db2.gz DQPYFSFUCJVWRN-ZDUSSCGKSA-N -1 3 352.312 3.100 20 0 FGADHM CO[C@H]1CCCC[C@H]1[N-]S(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000462713870 502544988 /nfs/dbraw/zinc/54/49/88/502544988.db2.gz IHKBSEXCPOHSKY-KGLIPLIRSA-N -1 3 352.283 3.370 20 0 FGADHM CO[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000462717384 502547340 /nfs/dbraw/zinc/54/73/40/502547340.db2.gz APHVDBUNQXINSU-NEPJUHHUSA-N -1 3 355.353 3.080 20 0 FGADHM C[C@@H](O)C[C@H](C[N-]S(=O)(=O)c1cccc(Cl)c1F)c1ccccc1 ZINC000469804538 502551679 /nfs/dbraw/zinc/55/16/79/502551679.db2.gz PFYNSMQOFYSSPT-TZMCWYRMSA-N -1 3 371.861 3.312 20 0 FGADHM COC(=O)[C@@H]1CCCC[C@@]1(C)NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000469817485 502556130 /nfs/dbraw/zinc/55/61/30/502556130.db2.gz HKFNUSJYWGRZCS-IFXJQAMLSA-N -1 3 351.418 3.092 20 0 FGADHM COc1ccc([C@@H](CN2CCCC2)N=c2[n-]nc(C(F)(F)F)s2)cc1 ZINC000480435756 502569005 /nfs/dbraw/zinc/56/90/05/502569005.db2.gz HCARKDBZHWQRBV-CYBMUJFWSA-N -1 3 372.416 3.236 20 0 FGADHM CCOc1nc2cc(C(=O)N[C@H](C)CCc3ccc(O)cc3)ccc2[n-]1 ZINC000469883191 502582412 /nfs/dbraw/zinc/58/24/12/502582412.db2.gz HRMIOYZNXNGZEH-CYBMUJFWSA-N -1 3 353.422 3.418 20 0 FGADHM CSc1c(C(=O)[N-]c2nnc(-c3cc(F)ccc3C)s2)cnn1C ZINC000469889915 502585457 /nfs/dbraw/zinc/58/54/57/502585457.db2.gz AURVPHAUZYFJQF-UHFFFAOYSA-N -1 3 363.443 3.360 20 0 FGADHM CC1CC(NC(=O)c2sccc2S(=O)(=O)[N-]C2CCCCCC2)C1 ZINC000473453678 502597105 /nfs/dbraw/zinc/59/71/05/502597105.db2.gz LCHFRKQEDBZXIA-UHFFFAOYSA-N -1 3 370.540 3.278 20 0 FGADHM Cc1cc(S(=O)(=O)[N-][C@H]2COc3ccc(F)cc32)c(Cl)cc1F ZINC000466529518 502598103 /nfs/dbraw/zinc/59/81/03/502598103.db2.gz OJDGLFFRNXIXSC-ZDUSSCGKSA-N -1 3 359.781 3.339 20 0 FGADHM C[C@@]1(C[N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)CCO[C@H]1C1CC1 ZINC000466573474 502612433 /nfs/dbraw/zinc/61/24/33/502612433.db2.gz MDBMGTBHMAPGLI-GJZGRUSLSA-N -1 3 364.294 3.477 20 0 FGADHM Cc1ccc(-c2nnc(NC(=O)[C@@H]3CCN(c4ccccc4)[C@@H]3C)[n-]2)o1 ZINC000476919624 502621474 /nfs/dbraw/zinc/62/14/74/502621474.db2.gz HSNMDMQHMFQDOL-UKRRQHHQSA-N -1 3 351.410 3.227 20 0 FGADHM Cc1ccc(-c2n[n-]c(NC(=O)[C@@H]3CCN(c4ccccc4)[C@@H]3C)n2)o1 ZINC000476919624 502621479 /nfs/dbraw/zinc/62/14/79/502621479.db2.gz HSNMDMQHMFQDOL-UKRRQHHQSA-N -1 3 351.410 3.227 20 0 FGADHM Cc1ccc(-c2nc(NC(=O)[C@@H]3CCN(c4ccccc4)[C@@H]3C)n[n-]2)o1 ZINC000476919624 502621484 /nfs/dbraw/zinc/62/14/84/502621484.db2.gz HSNMDMQHMFQDOL-UKRRQHHQSA-N -1 3 351.410 3.227 20 0 FGADHM COCCC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1sccc1OC ZINC000480631370 502627987 /nfs/dbraw/zinc/62/79/87/502627987.db2.gz OHWFKVJRNWNKEH-OAHLLOKOSA-N -1 3 369.508 3.073 20 0 FGADHM COc1ccc(S(=O)(=O)[N-][C@H](C)[C@H]2Oc3ccccc3[C@H]2C)c(F)c1 ZINC000480733869 502656081 /nfs/dbraw/zinc/65/60/81/502656081.db2.gz HEBPXILAUSODHP-FMTVUPSXSA-N -1 3 365.426 3.066 20 0 FGADHM Cc1nc(C)c(CCC(=O)Nc2ccc3cn(C(C)C)nc3c2)c(=O)[n-]1 ZINC000488201331 502656328 /nfs/dbraw/zinc/65/63/28/502656328.db2.gz LZMJNWZDIVTNBQ-UHFFFAOYSA-N -1 3 353.426 3.301 20 0 FGADHM C[C@H](Oc1ccccc1Cc1ccccc1)C(=O)NCc1ncccc1[O-] ZINC000473634949 502661696 /nfs/dbraw/zinc/66/16/96/502661696.db2.gz BRGJRZBJLCMWFH-INIZCTEOSA-N -1 3 362.429 3.462 20 0 FGADHM Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCc1ncccc1[O-] ZINC000473641122 502664773 /nfs/dbraw/zinc/66/47/73/502664773.db2.gz IJBLFUJRDHYXRR-UHFFFAOYSA-N -1 3 361.760 3.473 20 0 FGADHM O=S(=O)([N-]C1(c2cc(C(F)(F)F)ccc2Cl)CC1)c1c[nH]cn1 ZINC000480778792 502668888 /nfs/dbraw/zinc/66/88/88/502668888.db2.gz LEAINZMJSMXNSG-UHFFFAOYSA-N -1 3 365.764 3.050 20 0 FGADHM C[C@H](NC(=O)Cc1ccc(Br)cc1[O-])c1cccc(O)c1 ZINC000480858585 502690619 /nfs/dbraw/zinc/69/06/19/502690619.db2.gz DXTCVWQJOKGJGJ-JTQLQIEISA-N -1 3 350.212 3.280 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]Cc2ccc(F)cn2)c(Cl)c1Cl ZINC000477171125 502699199 /nfs/dbraw/zinc/69/91/99/502699199.db2.gz VVRNRUDPDYZBTD-UHFFFAOYSA-N -1 3 365.213 3.015 20 0 FGADHM O=S(=O)(Cc1ccc(Cl)c(F)c1)[N-][C@@H]1COc2ccc(F)cc21 ZINC000480927494 502707786 /nfs/dbraw/zinc/70/77/86/502707786.db2.gz NCTLHANJQXLHIJ-CQSZACIVSA-N -1 3 359.781 3.171 20 0 FGADHM CC[C@@H](C)n1ncc(NC(=O)NCc2nnc(C(F)(F)F)[n-]2)c1C1CC1 ZINC000480940141 502709955 /nfs/dbraw/zinc/70/99/55/502709955.db2.gz ZTOWXMITZLJDTM-MRVPVSSYSA-N -1 3 371.367 3.190 20 0 FGADHM CC[C@@H](C)n1ncc(NC(=O)NCc2n[n-]c(C(F)(F)F)n2)c1C1CC1 ZINC000480940141 502709960 /nfs/dbraw/zinc/70/99/60/502709960.db2.gz ZTOWXMITZLJDTM-MRVPVSSYSA-N -1 3 371.367 3.190 20 0 FGADHM CC[C@@H](C)n1ncc(NC(=O)NCc2nc(C(F)(F)F)n[n-]2)c1C1CC1 ZINC000480940141 502709965 /nfs/dbraw/zinc/70/99/65/502709965.db2.gz ZTOWXMITZLJDTM-MRVPVSSYSA-N -1 3 371.367 3.190 20 0 FGADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)NCc1ccc(C(F)F)cc1 ZINC000463185047 502714952 /nfs/dbraw/zinc/71/49/52/502714952.db2.gz OZXXYRQUKNYVQO-UHFFFAOYSA-N -1 3 372.375 3.419 20 0 FGADHM O=S(=O)([N-]c1cc(-c2nc[nH]n2)ccc1F)c1ccc(Cl)cc1 ZINC000470267773 502720937 /nfs/dbraw/zinc/72/09/37/502720937.db2.gz TYFYYXOTBVVPHM-UHFFFAOYSA-N -1 3 352.778 3.065 20 0 FGADHM CCC1(C[N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)CCOCC1 ZINC000466906407 502721826 /nfs/dbraw/zinc/72/18/26/502721826.db2.gz MMJPTQOTNVXRRZ-UHFFFAOYSA-N -1 3 352.283 3.479 20 0 FGADHM O=C(CCc1ccccc1OC(F)(F)F)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000473848716 502722748 /nfs/dbraw/zinc/72/27/48/502722748.db2.gz SVRAQWYKVUOTLB-AWEZNQCLSA-N -1 3 369.343 3.153 20 0 FGADHM Cc1c[nH]c(=O)n1-c1cccc(-c2nc3cc(F)c(F)cc3c(=O)[n-]2)c1 ZINC000463224220 502726460 /nfs/dbraw/zinc/72/64/60/502726460.db2.gz FAFXRDNLFVVSEG-UHFFFAOYSA-N -1 3 354.316 3.068 20 0 FGADHM CN(C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)[C@H]1CC1(C)C ZINC000488479755 502726922 /nfs/dbraw/zinc/72/69/22/502726922.db2.gz REWJLLQTPIOZBL-AWEZNQCLSA-N -1 3 371.478 3.165 20 0 FGADHM CCCn1c(=O)[n-]nc1S[C@H](CC)C(=O)c1ccc(NC(C)=O)cc1 ZINC000484740343 502726980 /nfs/dbraw/zinc/72/69/80/502726980.db2.gz SGXTYOAQCKFARA-CQSZACIVSA-N -1 3 362.455 3.106 20 0 FGADHM COc1ccc(-c2ncc(C(=O)N=c3cc([C@H]4CCCO4)[n-][nH]3)s2)cc1 ZINC000473860825 502730092 /nfs/dbraw/zinc/73/00/92/502730092.db2.gz ZXGYYVPJJPWRID-CQSZACIVSA-N -1 3 370.434 3.068 20 0 FGADHM CCCC[C@H](CC)C[N-]S(=O)(=O)c1sc(C(=O)OC)cc1OC ZINC000484758043 502732540 /nfs/dbraw/zinc/73/25/40/502732540.db2.gz VULAHHZXFMSMQC-NSHDSACASA-N -1 3 363.501 3.038 20 0 FGADHM CCCC[C@@H](CC)C[N-]S(=O)(=O)c1sc(C(=O)OC)cc1OC ZINC000484758042 502733315 /nfs/dbraw/zinc/73/33/15/502733315.db2.gz VULAHHZXFMSMQC-LLVKDONJSA-N -1 3 363.501 3.038 20 0 FGADHM O=C(Cc1ccc(Br)cc1[O-])Nc1ccc2c(c1)OCCO2 ZINC000477300795 502735522 /nfs/dbraw/zinc/73/55/22/502735522.db2.gz ZJYWGXBKUJWTLS-UHFFFAOYSA-N -1 3 364.195 3.107 20 0 FGADHM CCS[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)C1 ZINC000484791284 502741054 /nfs/dbraw/zinc/74/10/54/502741054.db2.gz XDOCHXWUDMDVNP-UWVGGRQHSA-N -1 3 353.431 3.447 20 0 FGADHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@H](C)CCC(C)(C)C)s1 ZINC000484800138 502742359 /nfs/dbraw/zinc/74/23/59/502742359.db2.gz XACPAWPLKBQWKJ-SNVBAGLBSA-N -1 3 363.501 3.036 20 0 FGADHM Cc1nc(C)c(S(=O)(=O)[N-][C@H]2CC(C)(C)Oc3cc(F)ccc32)s1 ZINC000481075083 502748000 /nfs/dbraw/zinc/74/80/00/502748000.db2.gz POAMAUALJWHOKU-ZDUSSCGKSA-N -1 3 370.471 3.480 20 0 FGADHM CCO[C@H]1C[C@H](NC(=O)Cc2ccc(Br)cc2[O-])C12CCC2 ZINC000477348185 502749454 /nfs/dbraw/zinc/74/94/54/502749454.db2.gz GABUHCRKCRQXJB-GJZGRUSLSA-N -1 3 368.271 3.161 20 0 FGADHM CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)c2cc(=O)[n-]c(N(C)C)n2)o1 ZINC000463313142 502751488 /nfs/dbraw/zinc/75/14/88/502751488.db2.gz FYKJDVZNAPGRDZ-WFASDCNBSA-N -1 3 358.442 3.017 20 0 FGADHM C[C@@H](CC(=O)c1ccco1)NC(=O)Cc1ccc(Br)cc1[O-] ZINC000477406061 502766250 /nfs/dbraw/zinc/76/62/50/502766250.db2.gz PMNZGRAGOPVKFX-JTQLQIEISA-N -1 3 366.211 3.068 20 0 FGADHM C[C@H](CN(C)C(=O)Cc1ccc(Br)cc1[O-])c1nccs1 ZINC000477428095 502772225 /nfs/dbraw/zinc/77/22/25/502772225.db2.gz WOHJQHMMUJTXAH-SNVBAGLBSA-N -1 3 369.284 3.416 20 0 FGADHM O=C(NCc1ccc([O-])c(Br)c1)[C@H]1Cc2ccccc2S1 ZINC000488669382 502778259 /nfs/dbraw/zinc/77/82/59/502778259.db2.gz FDTRBSDMVJGAHL-OAHLLOKOSA-N -1 3 364.264 3.488 20 0 FGADHM CSc1cc2c(cc1[N-]C(=O)c1cnc(C(F)(F)F)nc1)OCCO2 ZINC000488711422 502788090 /nfs/dbraw/zinc/78/80/90/502788090.db2.gz OHRVUQNUIWGWBR-UHFFFAOYSA-N -1 3 371.340 3.241 20 0 FGADHM CC(C)[C@H](CNC(=O)N=c1cc(OC(F)F)n(C)[n-]1)Cc1ccccc1 ZINC000470495519 502794579 /nfs/dbraw/zinc/79/45/79/502794579.db2.gz UUWHVCDEQMGELT-AWEZNQCLSA-N -1 3 366.412 3.080 20 0 FGADHM Cc1cccc(F)c1S(=O)(=O)[N-][C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000477516535 502795709 /nfs/dbraw/zinc/79/57/09/502795709.db2.gz RDIWOZHYPDXYLI-YOEHRIQHSA-N -1 3 350.459 3.104 20 0 FGADHM COC(=O)[C@@H](CS(=O)(=O)[N-]c1cccc(Cl)c1C)c1ccccc1 ZINC000477517625 502796425 /nfs/dbraw/zinc/79/64/25/502796425.db2.gz TTZSJVZHECBNCG-AWEZNQCLSA-N -1 3 367.854 3.347 20 0 FGADHM CCn1cnc(S(=O)(=O)[N-][C@H](C)Cc2ccc(Cl)cc2Cl)c1 ZINC000474074793 502799629 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CCN(CC)C(=O)CCCC(=O)Nc1nnc(-c2cc3ccccc3o2)[n-]1 ZINC000485110673 502816023 /nfs/dbraw/zinc/81/60/23/502816023.db2.gz XAVPAQKQTCHOKO-UHFFFAOYSA-N -1 3 369.425 3.195 20 0 FGADHM CCN(CC)C(=O)CCCC(=O)Nc1nc(-c2cc3ccccc3o2)n[n-]1 ZINC000485110673 502816024 /nfs/dbraw/zinc/81/60/24/502816024.db2.gz XAVPAQKQTCHOKO-UHFFFAOYSA-N -1 3 369.425 3.195 20 0 FGADHM CCN(CC)C(=O)CCCC(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000485110673 502816025 /nfs/dbraw/zinc/81/60/25/502816025.db2.gz XAVPAQKQTCHOKO-UHFFFAOYSA-N -1 3 369.425 3.195 20 0 FGADHM Cc1ccc(CS(=O)(=O)[N-]C[C@]2(C)OCCc3sccc32)cc1F ZINC000582634675 506336490 /nfs/dbraw/zinc/33/64/90/506336490.db2.gz FRXYIBLKOLHNRL-KRWDZBQOSA-N -1 3 369.483 3.103 20 0 FGADHM COC(=O)C[C@@H](NC(=O)Cc1ccc([O-])cc1Cl)C1CCCCC1 ZINC000509135385 502829537 /nfs/dbraw/zinc/82/95/37/502829537.db2.gz FRDRXGINNXPDOP-MRXNPFEDSA-N -1 3 353.846 3.216 20 0 FGADHM O=C(NC1(c2noc([C@H]3CCOC3)n2)CCCCCC1)c1cccc([O-])c1 ZINC000509162099 502836997 /nfs/dbraw/zinc/83/69/97/502836997.db2.gz 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505050578 /nfs/dbraw/zinc/05/05/78/505050578.db2.gz JZRLFBHJIRTMAH-UHFFFAOYSA-N -1 3 352.434 3.088 20 0 FGADHM CO[C@@H](CS(=O)(=O)[N-]c1cccc(NC(=O)c2ccccc2)c1)C1CC1 ZINC000563134923 505057636 /nfs/dbraw/zinc/05/76/36/505057636.db2.gz JFKIKSYBQJEIML-SFHVURJKSA-N -1 3 374.462 3.106 20 0 FGADHM COc1cc(C(=O)Nc2ccccc2[O-])cc(Br)c1OC ZINC000550545067 505060671 /nfs/dbraw/zinc/06/06/71/505060671.db2.gz DIJMUCVDKLPNSR-UHFFFAOYSA-N -1 3 352.184 3.424 20 0 FGADHM CCOC(=O)c1[n-]c(C)nc1NC(=O)c1cc(-c2ccccc2Cl)on1 ZINC000566039434 505061322 /nfs/dbraw/zinc/06/13/22/505061322.db2.gz PSJLLAACSBUGJR-UHFFFAOYSA-N -1 3 374.784 3.456 20 0 FGADHM CCOC(=O)c1nc(C)[n-]c1NC(=O)c1cc(-c2ccccc2Cl)on1 ZINC000566039434 505061326 /nfs/dbraw/zinc/06/13/26/505061326.db2.gz PSJLLAACSBUGJR-UHFFFAOYSA-N -1 3 374.784 3.456 20 0 FGADHM COc1ccc2ncc(C(=O)[O-])c(N3CCC([C@H]4CCCO4)CC3)c2c1 ZINC000563203446 505074537 /nfs/dbraw/zinc/07/45/37/505074537.db2.gz ATVDBZPBTADTDS-GOSISDBHSA-N -1 3 356.422 3.337 20 0 FGADHM O=C([O-])c1cnccc1N1CCO[C@@H](c2ccccc2C(F)(F)F)C1 ZINC000563206854 505075506 /nfs/dbraw/zinc/07/55/06/505075506.db2.gz JENGBCPGZZGPJC-OAHLLOKOSA-N -1 3 352.312 3.377 20 0 FGADHM C[N-]S(=O)(=O)c1cc(NC(=O)c2occc2-c2ccccc2)ccc1F ZINC000557370170 505119534 /nfs/dbraw/zinc/11/95/34/505119534.db2.gz QXCOJJGQWUICQT-UHFFFAOYSA-N -1 3 374.393 3.246 20 0 FGADHM CC(=O)c1cccc(NC(=O)COc2ccccc2Br)c1[O-] ZINC000560551418 505123383 /nfs/dbraw/zinc/12/33/83/505123383.db2.gz XVSZVYRNIOJXDY-UHFFFAOYSA-N -1 3 364.195 3.375 20 0 FGADHM Cn1cc(Br)c(=NC(=O)C(C)(C)Oc2cccc(Cl)c2)[n-]1 ZINC000566262332 505126429 /nfs/dbraw/zinc/12/64/29/505126429.db2.gz MKUJCJSPCCFFBN-UHFFFAOYSA-N -1 3 372.650 3.054 20 0 FGADHM COCCN(CCc1ccccc1)C(=O)c1c[n-]c2ccc(C)cc2c1=O ZINC000557412022 505128638 /nfs/dbraw/zinc/12/86/38/505128638.db2.gz MPTJWRKLPFLLSF-UHFFFAOYSA-N -1 3 364.445 3.168 20 0 FGADHM CCOc1cc(CN2CCC(CCO)CC2)cc(Br)c1[O-] ZINC000560577423 505131616 /nfs/dbraw/zinc/13/16/16/505131616.db2.gz XNDSPDOKNHHGKR-UHFFFAOYSA-N -1 3 358.276 3.148 20 0 FGADHM Cc1cc2cc(NC(=O)Cc3ccc([O-])cc3Cl)ccc2n(C)c1=O ZINC000557435649 505134876 /nfs/dbraw/zinc/13/48/76/505134876.db2.gz BUGDNVXWVRKNPB-UHFFFAOYSA-N -1 3 356.809 3.387 20 0 FGADHM Cc1ccnc([C@H]2CCN(C(=O)c3ccc4c(c3[O-])OC(C)(C)C4)C2)c1 ZINC000563409946 505135253 /nfs/dbraw/zinc/13/52/53/505135253.db2.gz ZMYAJTHXYRZVFQ-HNNXBMFYSA-N -1 3 352.434 3.439 20 0 FGADHM Cc1cc(C)n(-c2ccc([C@@H](C)NC(=O)Cc3cncc([O-])c3)cc2)n1 ZINC000563412290 505135787 /nfs/dbraw/zinc/13/57/87/505135787.db2.gz LLDDJPABXGHWMX-OAHLLOKOSA-N -1 3 350.422 3.010 20 0 FGADHM COC(=O)c1cc(C(=O)Nc2ccc(C)c(NC(=O)C(C)(C)C)c2)c[n-]1 ZINC000550992944 505139147 /nfs/dbraw/zinc/13/91/47/505139147.db2.gz MWCMSYVZQLILTG-UHFFFAOYSA-N -1 3 357.410 3.347 20 0 FGADHM O=C([O-])c1cccc2c1CCN(CCCc1nc(-c3ccccc3)no1)C2 ZINC000563452592 505144824 /nfs/dbraw/zinc/14/48/24/505144824.db2.gz YKWPUINSSLHBNW-UHFFFAOYSA-N -1 3 363.417 3.426 20 0 FGADHM O=C(CCCS(=O)(=O)c1ccc(Cl)cc1)Nc1ccc([O-])cc1F ZINC000560626083 505148472 /nfs/dbraw/zinc/14/84/72/505148472.db2.gz JQGYWUOLPGSDLN-UHFFFAOYSA-N -1 3 371.817 3.377 20 0 FGADHM COc1cc(C[NH2+]C2(C(=O)[O-])CCCCC2)cc(Br)c1[O-] ZINC000551057960 505149452 /nfs/dbraw/zinc/14/94/52/505149452.db2.gz OPUMXJYXHFRIKF-UHFFFAOYSA-N -1 3 358.232 3.040 20 0 FGADHM CCCCS(=O)(=O)[N-]Cc1nc(-c2ccc(OCC)c(Cl)c2)no1 ZINC000551071871 505153155 /nfs/dbraw/zinc/15/31/55/505153155.db2.gz HSQKTQVCUYLOMI-UHFFFAOYSA-N -1 3 373.862 3.008 20 0 FGADHM Cc1ccc2[n-]cc(C(=O)N3CCO[C@H](c4ccccc4C)C3)c(=O)c2c1 ZINC000557541489 505161561 /nfs/dbraw/zinc/16/15/61/505161561.db2.gz PCUNIWHIIOGPRL-FQEVSTJZSA-N -1 3 362.429 3.359 20 0 FGADHM Cc1cccc2[nH]cc(CC[N-]S(=O)(=O)c3cn4c(n3)CCC[C@H]4C)c21 ZINC000563518626 505164875 /nfs/dbraw/zinc/16/48/75/505164875.db2.gz PUWUREYOIHDBGK-CQSZACIVSA-N -1 3 372.494 3.091 20 0 FGADHM O=S(=O)([N-]CC1(c2ccncc2)CCCC1)c1ccc(F)c(F)c1 ZINC000554471567 505181324 /nfs/dbraw/zinc/18/13/24/505181324.db2.gz PKVHASPTUJEQBY-UHFFFAOYSA-N -1 3 352.406 3.150 20 0 FGADHM CCCN(CCN1CCCCC1)C(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000557630325 505187149 /nfs/dbraw/zinc/18/71/49/505187149.db2.gz JVZVHUQZDYRSGL-UHFFFAOYSA-N -1 3 374.460 3.055 20 0 FGADHM CCC(CC)[N-]S(=O)(=O)c1cc(Br)c(F)cc1OC ZINC000566490303 505189043 /nfs/dbraw/zinc/18/90/43/505189043.db2.gz ATJKWUIUBLNPHK-UHFFFAOYSA-N -1 3 354.241 3.064 20 0 FGADHM O=C(CO[C@H]1CCCc2ccccc21)[N-]c1nncn1Cc1ccccc1 ZINC000563614999 505192785 /nfs/dbraw/zinc/19/27/85/505192785.db2.gz YBIQZZDTAMGGDS-IBGZPJMESA-N -1 3 362.433 3.359 20 0 FGADHM COc1cccc([C@@H]2C[C@H](C)CN2C(=O)N=c2cc3ccccn3[n-]2)c1 ZINC000554526894 505198045 /nfs/dbraw/zinc/19/80/45/505198045.db2.gz MSSSIESHYJZWCV-KSSFIOAISA-N -1 3 350.422 3.380 20 0 FGADHM CO[C@@H](c1ccccc1Cl)[C@@H](C)NC(=O)N=c1cc2ccccn2[n-]1 ZINC000554535076 505200694 /nfs/dbraw/zinc/20/06/94/505200694.db2.gz WYLZGNWUJLWDOZ-SJKOYZFVSA-N -1 3 358.829 3.307 20 0 FGADHM Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)N=c1cc2ccccn2[n-]1 ZINC000554534329 505200773 /nfs/dbraw/zinc/20/07/73/505200773.db2.gz ARANTNHOTXVTJR-INIZCTEOSA-N -1 3 352.442 3.245 20 0 FGADHM O=C(Nc1cccc(-c2cn3cccnc3n2)c1)c1cc(F)cc2[n-]nnc21 ZINC000554562664 505208233 /nfs/dbraw/zinc/20/82/33/505208233.db2.gz ILNOZQODIMLTQN-UHFFFAOYSA-N -1 3 373.351 3.059 20 0 FGADHM O=C(Nc1cccc(-c2cn3cccnc3n2)c1)c1cc(F)cc2nn[n-]c21 ZINC000554562664 505208237 /nfs/dbraw/zinc/20/82/37/505208237.db2.gz ILNOZQODIMLTQN-UHFFFAOYSA-N -1 3 373.351 3.059 20 0 FGADHM O=C(Nc1cccc(-c2cn3cccnc3n2)c1)c1cc(F)cc2n[n-]nc21 ZINC000554562664 505208241 /nfs/dbraw/zinc/20/82/41/505208241.db2.gz ILNOZQODIMLTQN-UHFFFAOYSA-N -1 3 373.351 3.059 20 0 FGADHM C[C@H](c1cccs1)c1nc(-c2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)no1 ZINC000566592277 505215186 /nfs/dbraw/zinc/21/51/86/505215186.db2.gz LCVPPKDGGCARAB-MLCYQJTMSA-N -1 3 368.418 3.005 20 0 FGADHM CCOc1ccncc1S(=O)(=O)[N-][C@@H]1CC[C@@H](c2cccc(F)c2)C1 ZINC000566602479 505219471 /nfs/dbraw/zinc/21/94/71/505219471.db2.gz XWNQBQBJWRQOKD-GDBMZVCRSA-N -1 3 364.442 3.234 20 0 FGADHM CCSc1ccccc1C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C)c1 ZINC000561002110 505227351 /nfs/dbraw/zinc/22/73/51/505227351.db2.gz WTTQLYMJEUQXRT-UHFFFAOYSA-N -1 3 368.455 3.098 20 0 FGADHM CC(C)[C@H](CN=c1[n-]nc(C(F)F)s1)N1CCc2ccccc2C1 ZINC000554672569 505236964 /nfs/dbraw/zinc/23/69/64/505236964.db2.gz WVFNVRLBJKPVQI-AWEZNQCLSA-N -1 3 352.454 3.392 20 0 FGADHM O=C1CCc2cc([N-]S(=O)(=O)c3ccc(C(F)F)cc3)c(F)cc2N1 ZINC000554686653 505239765 /nfs/dbraw/zinc/23/97/65/505239765.db2.gz SOEBGBYEGIQZIT-UHFFFAOYSA-N -1 3 370.352 3.449 20 0 FGADHM COc1ccc([O-])c(C(=O)Nc2cnc3c(Br)cccn23)c1 ZINC000554696470 505243052 /nfs/dbraw/zinc/24/30/52/505243052.db2.gz ZCQWCZTUKCMXBP-UHFFFAOYSA-N -1 3 362.183 3.063 20 0 FGADHM COc1ccc(CN(C(=O)c2cccc3[n-]nnc32)[C@H](C)C2CC2)cc1 ZINC000566686640 505243724 /nfs/dbraw/zinc/24/37/24/505243724.db2.gz BZESWJUAXDWIMN-CYBMUJFWSA-N -1 3 350.422 3.407 20 0 FGADHM COc1ccc(CN(C(=O)c2cccc3nn[n-]c32)[C@H](C)C2CC2)cc1 ZINC000566686640 505243730 /nfs/dbraw/zinc/24/37/30/505243730.db2.gz BZESWJUAXDWIMN-CYBMUJFWSA-N -1 3 350.422 3.407 20 0 FGADHM COc1ccc(CN(C(=O)c2cccc3n[n-]nc32)[C@H](C)C2CC2)cc1 ZINC000566686640 505243732 /nfs/dbraw/zinc/24/37/32/505243732.db2.gz BZESWJUAXDWIMN-CYBMUJFWSA-N -1 3 350.422 3.407 20 0 FGADHM COCCn1cc(-c2nc(-c3ccc4n[n-]nc4c3)no2)c2ccccc21 ZINC000563803146 505243854 /nfs/dbraw/zinc/24/38/54/505243854.db2.gz CJUVRADGIHRZCE-UHFFFAOYSA-N -1 3 360.377 3.276 20 0 FGADHM C[C@H]1Oc2cc(F)ccc2[C@H]1[N-]S(=O)(=O)c1ccccc1OC(F)F ZINC000557857204 505247143 /nfs/dbraw/zinc/24/71/43/505247143.db2.gz FLRYOPUMGXCHSP-PSLIRLAXSA-N -1 3 373.352 3.228 20 0 FGADHM C[C@@H](c1ccc(OC(F)(F)F)cc1)N1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC000554738900 505252903 /nfs/dbraw/zinc/25/29/03/505252903.db2.gz ZHOVXRAMMKBHMW-JTQLQIEISA-N -1 3 356.348 3.350 20 0 FGADHM O=C(CN(Cc1ccccc1)Cc1ccccc1)N=c1cc2ccccn2[n-]1 ZINC000561153609 505265263 /nfs/dbraw/zinc/26/52/63/505265263.db2.gz KAMSEMZQSUWRTE-UHFFFAOYSA-N -1 3 370.456 3.397 20 0 FGADHM O=C(N=c1cc2ccccn2[n-]1)c1csc(-c2ccc(F)c(F)c2)n1 ZINC000561153578 505265574 /nfs/dbraw/zinc/26/55/74/505265574.db2.gz JLVZGFHHLHUXDP-UHFFFAOYSA-N -1 3 356.357 3.410 20 0 FGADHM Cc1ncc(CNC(=O)NCCCCc2ccc(Cl)s2)c(=O)[n-]1 ZINC000551644074 505272823 /nfs/dbraw/zinc/27/28/23/505272823.db2.gz JSJYWBMXPRIVRO-UHFFFAOYSA-N -1 3 354.863 3.028 20 0 FGADHM Cc1cc([N-]c2nn3cc(-c4cccnc4)nc3s2)nn1[C@H](C)C1CC1 ZINC000563913108 505273765 /nfs/dbraw/zinc/27/37/65/505273765.db2.gz BKBDDUALAQIHAM-GFCCVEGCSA-N -1 3 365.466 3.494 20 0 FGADHM COC(=O)C(C)(C)N(C)Cc1nc(=O)c2cc(-c3ccccc3)sc2[n-]1 ZINC000558003201 505283072 /nfs/dbraw/zinc/28/30/72/505283072.db2.gz GCFZIERNFLNIRO-UHFFFAOYSA-N -1 3 371.462 3.447 20 0 FGADHM COc1ccc(CNc2cccc(SC)n2)c(Br)c1[O-] ZINC000561291563 505306231 /nfs/dbraw/zinc/30/62/31/505306231.db2.gz LHAQVROPCLVTKO-UHFFFAOYSA-N -1 3 355.257 3.314 20 0 FGADHM CS(=O)(=O)c1ccc(CNCc2cc([O-])cc(C(F)(F)F)c2)s1 ZINC000554978079 505317995 /nfs/dbraw/zinc/31/79/95/505317995.db2.gz DUNFAHCTRPJVFR-UHFFFAOYSA-N -1 3 365.398 3.166 20 0 FGADHM CC(C)N(C)C[C@@H](C)NC(=O)N=c1[n-]nc(-c2cc3ccccc3o2)s1 ZINC000554987039 505320372 /nfs/dbraw/zinc/32/03/72/505320372.db2.gz JXPMJOVDVVKVJX-GFCCVEGCSA-N -1 3 373.482 3.223 20 0 FGADHM O=S(=O)([N-]C[C@@H]1CCO[C@H]1c1ccccc1)c1cc(F)c(F)c(F)c1 ZINC000551888387 505334691 /nfs/dbraw/zinc/33/46/91/505334691.db2.gz SQNIIMONGYGGNS-SJCJKPOMSA-N -1 3 371.380 3.160 20 0 FGADHM CCC(CC)Nc1ccncc1NC(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000567060316 505351774 /nfs/dbraw/zinc/35/17/74/505351774.db2.gz VEIDPOFHNWDQRX-UHFFFAOYSA-N -1 3 359.426 3.079 20 0 FGADHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CCc2ccc(Br)cc2C1 ZINC000567060973 505352912 /nfs/dbraw/zinc/35/29/12/505352912.db2.gz IDJKZZRLVARWAG-UHFFFAOYSA-N -1 3 374.238 3.021 20 0 FGADHM C[C@@H](NC(=O)N=c1[n-]nc(-c2ccco2)s1)[C@H](c1ccccc1)N(C)C ZINC000558299385 505356285 /nfs/dbraw/zinc/35/62/85/505356285.db2.gz KGEVUPVIFUCPRQ-IUODEOHRSA-N -1 3 371.466 3.033 20 0 FGADHM C[C@H](NC(=O)N=c1[n-]nc(-c2ccco2)s1)[C@H](c1ccccc1)N(C)C ZINC000558299386 505356298 /nfs/dbraw/zinc/35/62/98/505356298.db2.gz KGEVUPVIFUCPRQ-SWLSCSKDSA-N -1 3 371.466 3.033 20 0 FGADHM CC1(C)CCC[C@H]1c1nc(-c2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)no1 ZINC000567082848 505358817 /nfs/dbraw/zinc/35/88/17/505358817.db2.gz XDFPNFCPHFUACX-ORAYPTAESA-N -1 3 354.410 3.085 20 0 FGADHM Cn1c(=O)c2ccccc2cc1C(=O)Nc1ccc(Br)cc1[O-] ZINC000552005911 505368330 /nfs/dbraw/zinc/36/83/30/505368330.db2.gz PERNEXCPVPUHNC-UHFFFAOYSA-N -1 3 373.206 3.259 20 0 FGADHM CC(=O)c1cccc(NC(=O)c2ccc3c(c2)NC(=O)CCS3)c1[O-] ZINC000552069201 505389630 /nfs/dbraw/zinc/38/96/30/505389630.db2.gz IFOBPVXFJJPRHW-UHFFFAOYSA-N -1 3 356.403 3.281 20 0 FGADHM Cc1cc(O[C@H](C)C(=O)N=c2[nH][n-]cc2Br)ccc1C(C)C ZINC000552069252 505389761 /nfs/dbraw/zinc/38/97/61/505389761.db2.gz LCDMSDVHSIKEGS-LLVKDONJSA-N -1 3 366.259 3.432 20 0 FGADHM CC(=O)c1cccc(NC(=O)c2ccc(-n3nc(C)cc3C)nc2)c1[O-] ZINC000552070609 505389937 /nfs/dbraw/zinc/38/99/37/505389937.db2.gz ZCVYYJVJWPMDIN-UHFFFAOYSA-N -1 3 350.378 3.045 20 0 FGADHM O=C(N=c1cc2ccccn2[n-]1)N1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000558463694 505397421 /nfs/dbraw/zinc/39/74/21/505397421.db2.gz HEIIDAYAQJGFSK-INIZCTEOSA-N -1 3 374.803 3.154 20 0 FGADHM O=C(N=c1cc2ccccn2[n-]1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000558478329 505403528 /nfs/dbraw/zinc/40/35/28/505403528.db2.gz AEAMRKVQBICXEJ-UHFFFAOYSA-N -1 3 366.265 3.105 20 0 FGADHM C[C@@H]1CCCN1S(=O)(=O)[N-]c1cccc(Cl)c1OCC(F)F ZINC000561699516 505413114 /nfs/dbraw/zinc/41/31/14/505413114.db2.gz LJAGEKKACIVUEZ-SECBINFHSA-N -1 3 354.806 3.125 20 0 FGADHM CCOC(=O)[C@@H](C)[C@H](C)NC(=O)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000552158357 505417802 /nfs/dbraw/zinc/41/78/02/505417802.db2.gz OEQZSXAZKWQGBS-IUCAKERBSA-N -1 3 355.847 3.109 20 0 FGADHM C[C@H](CN(C)Cc1ccccc1)[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000561723648 505418252 /nfs/dbraw/zinc/41/82/52/505418252.db2.gz BATTYEJUJWDSNG-CYBMUJFWSA-N -1 3 370.877 3.278 20 0 FGADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCCC23CCOCC3)c(Cl)cc1F ZINC000558572596 505427611 /nfs/dbraw/zinc/42/76/11/505427611.db2.gz OZDSBIXDIXMQNF-OAHLLOKOSA-N -1 3 361.866 3.415 20 0 FGADHM CC(C)N1CCCC[C@@H]1CSc1n[n-]c(=NCC(F)(F)F)s1 ZINC000555466644 505437521 /nfs/dbraw/zinc/43/75/21/505437521.db2.gz FQMURFSQUVJWCR-SNVBAGLBSA-N -1 3 354.467 3.289 20 0 FGADHM Cc1nn(Cc2nc(-c3ccc4n[n-]nc4c3)no2)cc1-c1ccccc1 ZINC000555473618 505438714 /nfs/dbraw/zinc/43/87/14/505438714.db2.gz XJVLQDOWVGVZHL-UHFFFAOYSA-N -1 3 357.377 3.228 20 0 FGADHM Cc1cc(Cl)ccc1O[C@H](C)C(=O)[N-]c1ncnn1-c1ccccc1 ZINC000555515000 505444259 /nfs/dbraw/zinc/44/42/59/505444259.db2.gz JFBIWEJZKGEZGR-CYBMUJFWSA-N -1 3 356.813 3.057 20 0 FGADHM Cc1cnn(-c2c(C(=O)Nc3ccc(C(C)(C)C)cc3[O-])c(C)nn2C)c1 ZINC000558645319 505449466 /nfs/dbraw/zinc/44/94/66/505449466.db2.gz UAEFDJFQNHOINN-UHFFFAOYSA-N -1 3 367.453 3.478 20 0 FGADHM CCCCS(=O)(=O)[N-]Cc1nc([C@H](c2cccc(C)c2)C(C)C)no1 ZINC000564559232 505453116 /nfs/dbraw/zinc/45/31/16/505453116.db2.gz RETGRYVWDFCFRI-KRWDZBQOSA-N -1 3 365.499 3.385 20 0 FGADHM CN(C)C(=O)c1cccc(-c2noc(CCCc3ccc([O-])c(F)c3)n2)c1 ZINC000561871149 505456233 /nfs/dbraw/zinc/45/62/33/505456233.db2.gz FRTXGZAVXAAFGN-UHFFFAOYSA-N -1 3 369.396 3.458 20 0 FGADHM Cc1ccc(Br)c([N-]S(=O)(=O)c2ccc(N(C)C)nc2)c1 ZINC000567435372 505461098 /nfs/dbraw/zinc/46/10/98/505461098.db2.gz DZOCRCYDAMJKSG-UHFFFAOYSA-N -1 3 370.272 3.019 20 0 FGADHM CCC(CC)(CCO)NC(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000558724115 505474057 /nfs/dbraw/zinc/47/40/57/505474057.db2.gz FTWJOJMLYHAJTL-UHFFFAOYSA-N -1 3 355.434 3.294 20 0 FGADHM CCc1oc(C(=O)[O-])cc1CN1CCC(OC[C@H]2CCCCO2)CC1 ZINC000567620028 505516776 /nfs/dbraw/zinc/51/67/76/505516776.db2.gz MMJRFDSJGNJPBF-MRXNPFEDSA-N -1 3 351.443 3.090 20 0 FGADHM O=C([O-])c1ccccc1CN1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000567620070 505516819 /nfs/dbraw/zinc/51/68/19/505516819.db2.gz OGFAOZXRANGUBS-AWEZNQCLSA-N -1 3 366.339 3.452 20 0 FGADHM CN(CCOc1ccc(F)cc1Cl)Cc1ccc(OCC(=O)[O-])cc1 ZINC000564803888 505524250 /nfs/dbraw/zinc/52/42/50/505524250.db2.gz 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Cn1[n-]c(=NC(=O)c2cc(C3CC3)n(C(C)(C)C)n2)cc1OC(F)F ZINC000491084564 515374165 /nfs/dbraw/zinc/37/41/65/515374165.db2.gz ZKZDYWRYNIKAHB-UHFFFAOYSA-N -1 3 353.373 3.103 20 0 FGADHM CC(C)Sc1ccccc1NC(=O)C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000472979455 515466091 /nfs/dbraw/zinc/46/60/91/515466091.db2.gz QXVWGERUAIWZPI-CQSZACIVSA-N -1 3 374.466 3.339 20 0 FGADHM CC(C)Cc1n[n-]c(=NC(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)s1 ZINC000474548563 516090091 /nfs/dbraw/zinc/09/00/91/516090091.db2.gz RRFWQFDIKPELQB-INIZCTEOSA-N -1 3 373.526 3.475 20 0 FGADHM Cc1ccccc1-c1cc(=NC(=O)C[C@@H](NC(N)=O)c2ccccc2)[nH][n-]1 ZINC000540420210 516547545 /nfs/dbraw/zinc/54/75/45/516547545.db2.gz JAJFGVOCUOAEAK-MRXNPFEDSA-N -1 3 363.421 3.123 20 0 FGADHM Cc1cc(C)cc(-c2cc(=NC(=O)[C@@H]3CC(=O)N(CC(C)C)C3)[nH][n-]2)c1 ZINC000523775702 516574589 /nfs/dbraw/zinc/57/45/89/516574589.db2.gz CBKNKBSPFQHEHH-MRXNPFEDSA-N -1 3 354.454 3.137 20 0 FGADHM O=C(Cc1ccc2c[nH]nc2c1)N=c1cc2ccc(Br)cn2[n-]1 ZINC000513737813 516736035 /nfs/dbraw/zinc/73/60/35/516736035.db2.gz IXLRXVHLZBXHGI-UHFFFAOYSA-N -1 3 370.210 3.154 20 0 FGADHM Cc1ccc(CC(=O)N=c2cc3ccc(Br)cn3[n-]2)cc1O ZINC000513742635 516737513 /nfs/dbraw/zinc/73/75/13/516737513.db2.gz JUYHESCOEHPMKY-UHFFFAOYSA-N -1 3 360.211 3.292 20 0 FGADHM CCN=c1[n-]c(C(=O)NC[C@H](c2ccc(Cl)cc2)N(C)C)cs1 ZINC000532283277 516891591 /nfs/dbraw/zinc/89/15/91/516891591.db2.gz OPNLQCNROBWFLV-CQSZACIVSA-N -1 3 352.891 3.261 20 0 FGADHM Cc1ccccc1-c1cc(=NC(=O)c2cc3c([nH]c2=O)CCCC3=O)[nH][n-]1 ZINC000537121022 517046501 /nfs/dbraw/zinc/04/65/01/517046501.db2.gz WNWSRIYRORTRBX-UHFFFAOYSA-N -1 3 362.389 3.257 20 0 FGADHM CCN(CCN1CCCCCC1)C(=O)N=c1[n-]nc(C(F)(F)F)s1 ZINC000519564540 517047956 /nfs/dbraw/zinc/04/79/56/517047956.db2.gz YQIVGBVBVVMYPB-UHFFFAOYSA-N -1 3 365.425 3.287 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)c2cc3ccccc3c(=O)n2C)c1-c1ccccc1 ZINC000514807490 517066090 /nfs/dbraw/zinc/06/60/90/517066090.db2.gz SQTVNCOARAAKOD-UHFFFAOYSA-N -1 3 358.401 3.489 20 0 FGADHM Cc1ccc([C@H](CNC(=O)N=c2ncn(C(C)(C)C)[n-]2)N2CCCC2)cc1 ZINC000541508387 517084276 /nfs/dbraw/zinc/08/42/76/517084276.db2.gz MXZCRMJFZJTJNG-KRWDZBQOSA-N -1 3 370.501 3.300 20 0 FGADHM Cc1cc(C)n(-c2ccc(CC(=O)N=c3cc([C@H]4CCCO4)[n-][nH]3)cc2)n1 ZINC000525967017 517261807 /nfs/dbraw/zinc/26/18/07/517261807.db2.gz KPYHZHLOGWGLEW-GOSISDBHSA-N -1 3 365.437 3.245 20 0 FGADHM CN1CCC[C@@H](CNC(=O)N=c2[n-]nc(-c3cc4ccccc4o3)s2)C1 ZINC000527060008 517480534 /nfs/dbraw/zinc/48/05/34/517480534.db2.gz BLRMSEKSIWSJPB-LBPRGKRZSA-N -1 3 371.466 3.415 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)c1-c1ccc(C)cc1 ZINC000530275122 517674190 /nfs/dbraw/zinc/67/41/90/517674190.db2.gz ZZJNHWNPJSWCPH-OAHLLOKOSA-N -1 3 354.454 3.279 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@@H]2CC(=O)N[C@@H]3CCCC[C@@H]32)c1-c1ccc(F)cc1 ZINC000530277667 517674481 /nfs/dbraw/zinc/67/44/81/517674481.db2.gz WOYGSJCOEUSTJR-BZUAXINKSA-N -1 3 370.428 3.158 20 0 FGADHM CCc1[n-][nH]c(=NC(=O)c2nn(-c3cc(F)cc(F)c3)c3c2CCC3)c1C ZINC000517032879 517989495 /nfs/dbraw/zinc/98/94/95/517989495.db2.gz JAPCQOIOVZKFFE-UHFFFAOYSA-N -1 3 371.391 3.485 20 0 FGADHM COc1ccccc1-c1cc(=NC(=O)[C@H](C)Cc2c(C)nn(C)c2C)[nH][n-]1 ZINC000608357978 519946309 /nfs/dbraw/zinc/94/63/09/519946309.db2.gz GPAWCAUZDFQDMF-GFCCVEGCSA-N -1 3 367.453 3.253 20 0 FGADHM COC(=O)[C@@H]1CCC[C@@H](C(=O)N=c2[nH][n-]c(C)c2-c2cccc(F)c2)C1 ZINC000603200004 520152889 /nfs/dbraw/zinc/15/28/89/520152889.db2.gz MFFOTPNGQJALFT-ZIAGYGMSSA-N -1 3 359.401 3.442 20 0 FGADHM Cc1cc(C)c(C(=O)N=c2[n-]n(C)cc2I)c(C)c1 ZINC000602389133 521313973 /nfs/dbraw/zinc/31/39/73/521313973.db2.gz ZUQJIBAFJXFFCY-UHFFFAOYSA-N -1 3 369.206 3.202 20 0 FGADHM COc1ccccc1-c1cc(=NC(=O)[C@@H]2C[C@@H](C)Cc3c[nH]nc32)[nH][n-]1 ZINC000623189205 521836215 /nfs/dbraw/zinc/83/62/15/521836215.db2.gz YHDWMZWWNNQHTE-SMDDNHRTSA-N -1 3 351.410 3.113 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@@H]2CC(=O)N[C@@H]3CCCC[C@H]32)c1-c1ccccc1F ZINC000630024698 522588216 /nfs/dbraw/zinc/58/82/16/522588216.db2.gz LNMGICFTFAJZAW-JGGQBBKZSA-N -1 3 370.428 3.158 20 0 FGADHM OC[C@@H](CN=c1[n-]c(C(F)(F)F)cs1)Cc1ccncc1Cl ZINC000624360234 522635008 /nfs/dbraw/zinc/63/50/08/522635008.db2.gz BHSLULHVVNWNGX-MRVPVSSYSA-N -1 3 351.781 3.473 20 0 FGADHM C[C@H](CNC(=O)N=c1[n-]nc(CC(F)(F)F)s1)N1CCCC[C@@H]1C ZINC000483983230 561288855 /nfs/dbraw/zinc/28/88/55/561288855.db2.gz HPQDCBGTGYSQJR-VHSXEESVSA-N -1 3 365.425 3.027 20 0 FGADHM Cc1c(C(=O)N=c2cc(OC(F)F)n(C)[n-]2)cnn1-c1ccccc1C ZINC000490936265 561440680 /nfs/dbraw/zinc/44/06/80/561440680.db2.gz AEOBJYQUUAQJNQ-UHFFFAOYSA-N -1 3 361.352 3.076 20 0 FGADHM CN(C)CCN(C)C(=O)N=c1[n-]nc(-c2ccc(Cl)cc2F)s1 ZINC000471304008 561002302 /nfs/dbraw/zinc/00/23/02/561002302.db2.gz LKDXHWFUXPJOIO-UHFFFAOYSA-N -1 3 357.842 3.023 20 0 FGADHM COc1ccc(C)cc1-n1ccc(C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)n1 ZINC000473842700 561058841 /nfs/dbraw/zinc/05/88/41/561058841.db2.gz LACHDDFJPKGZHQ-INIZCTEOSA-N -1 3 367.409 3.016 20 0 FGADHM CC(C)c1nc2c([nH]1)C[C@H](C(=O)N=c1cc(-c3ccncc3)[n-][nH]1)CC2 ZINC000530370357 562408647 /nfs/dbraw/zinc/40/86/47/562408647.db2.gz MFXAAGXNBJYWEC-CYBMUJFWSA-N -1 3 350.426 3.062 20 0 FGADHM CC(C)c1nc2c([nH]1)CC[C@@H](C(=O)N=c1cc(-c3ccncc3)[n-][nH]1)C2 ZINC000530370357 562408648 /nfs/dbraw/zinc/40/86/48/562408648.db2.gz MFXAAGXNBJYWEC-CYBMUJFWSA-N -1 3 350.426 3.062 20 0 FGADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCC(C2(O)CC2)CC1 ZINC000652662166 568327420 /nfs/dbraw/zinc/32/74/20/568327420.db2.gz JYSFEJPCFKOEPV-UHFFFAOYSA-N -1 3 351.446 3.360 20 0 FGADHM Cc1occc1C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000737556231 598834108 /nfs/dbraw/zinc/83/41/08/598834108.db2.gz ICGDSDLRCDJDKK-UHFFFAOYSA-N -1 3 365.418 3.427 20 0 FGADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)Nc1ccc(Oc2ccccn2)cc1 ZINC000737960454 598866748 /nfs/dbraw/zinc/86/67/48/598866748.db2.gz HOXIIFZHTCCCJX-UHFFFAOYSA-N -1 3 372.388 3.235 20 0 FGADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)Nc1ccc(Oc2ccccn2)cc1 ZINC000737960454 598866750 /nfs/dbraw/zinc/86/67/50/598866750.db2.gz HOXIIFZHTCCCJX-UHFFFAOYSA-N -1 3 372.388 3.235 20 0 FGADHM Fc1cc(-c2nnn[n-]2)cc(F)c1N[C@H](c1ccccc1)[C@@H]1CCCO1 ZINC000737640470 598870205 /nfs/dbraw/zinc/87/02/05/598870205.db2.gz YHDFIIQOGOFCIS-JKSUJKDBSA-N -1 3 357.364 3.477 20 0 FGADHM Fc1cc(-c2nn[n-]n2)cc(F)c1N[C@H](c1ccccc1)[C@@H]1CCCO1 ZINC000737640470 598870208 /nfs/dbraw/zinc/87/02/08/598870208.db2.gz YHDFIIQOGOFCIS-JKSUJKDBSA-N -1 3 357.364 3.477 20 0 FGADHM Cc1cccc(C(=O)O[C@@H](C)COc2cccc(-c3nnn[n-]3)c2)c1C ZINC000737384542 598886902 /nfs/dbraw/zinc/88/69/02/598886902.db2.gz KGTMJXSOWAOEJJ-ZDUSSCGKSA-N -1 3 352.394 3.108 20 0 FGADHM Cc1cccc(C(=O)O[C@@H](C)COc2cccc(-c3nn[n-]n3)c2)c1C ZINC000737384542 598886904 /nfs/dbraw/zinc/88/69/04/598886904.db2.gz KGTMJXSOWAOEJJ-ZDUSSCGKSA-N -1 3 352.394 3.108 20 0 FGADHM CC[C@H](C)NC(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000736326578 598888698 /nfs/dbraw/zinc/88/86/98/598888698.db2.gz OFKGCBXRJXZCCY-NSHDSACASA-N -1 3 356.455 3.193 20 0 FGADHM c1ccc2c(c1)ccnc2-c1noc(COc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000738432035 598891264 /nfs/dbraw/zinc/89/12/64/598891264.db2.gz CORVDUHWYGXDCM-UHFFFAOYSA-N -1 3 371.360 3.044 20 0 FGADHM O=C(Nc1ccnc(Oc2ccccc2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738195809 598892445 /nfs/dbraw/zinc/89/24/45/598892445.db2.gz HJOLJIMHRLOPSD-UHFFFAOYSA-N -1 3 358.361 3.306 20 0 FGADHM O=C(Nc1ccnc(Oc2ccccc2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738195809 598892448 /nfs/dbraw/zinc/89/24/48/598892448.db2.gz HJOLJIMHRLOPSD-UHFFFAOYSA-N -1 3 358.361 3.306 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N[C@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000738151999 598913507 /nfs/dbraw/zinc/91/35/07/598913507.db2.gz OGMPRDHFHMMCMG-FZMZJTMJSA-N -1 3 372.791 3.337 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N[C@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000738151999 598913508 /nfs/dbraw/zinc/91/35/08/598913508.db2.gz OGMPRDHFHMMCMG-FZMZJTMJSA-N -1 3 372.791 3.337 20 0 FGADHM CC(C)(CNC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1cccs1 ZINC000735670223 598922394 /nfs/dbraw/zinc/92/23/94/598922394.db2.gz JRELYELAAJTBQQ-UHFFFAOYSA-N -1 3 360.418 3.167 20 0 FGADHM CC(C)(CNC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1cccs1 ZINC000735670223 598922396 /nfs/dbraw/zinc/92/23/96/598922396.db2.gz JRELYELAAJTBQQ-UHFFFAOYSA-N -1 3 360.418 3.167 20 0 FGADHM CC1(C)CCN1C(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000736210979 598929517 /nfs/dbraw/zinc/92/95/17/598929517.db2.gz KVAAOORSVZHYKF-UHFFFAOYSA-N -1 3 363.421 3.070 20 0 FGADHM CC1(C)CCN1C(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000736210979 598929518 /nfs/dbraw/zinc/92/95/18/598929518.db2.gz KVAAOORSVZHYKF-UHFFFAOYSA-N -1 3 363.421 3.070 20 0 FGADHM Cc1ccc(OC(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC000737365116 598942695 /nfs/dbraw/zinc/94/26/95/598942695.db2.gz PTRJKGQAPJJTCL-LLVKDONJSA-N -1 3 358.785 3.201 20 0 FGADHM Cc1ccc(OC(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000737365725 598942746 /nfs/dbraw/zinc/94/27/46/598942746.db2.gz SHGDSUPPSKYWML-NSHDSACASA-N -1 3 358.785 3.201 20 0 FGADHM Cc1ccc(OC(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000737365725 598942749 /nfs/dbraw/zinc/94/27/49/598942749.db2.gz SHGDSUPPSKYWML-NSHDSACASA-N -1 3 358.785 3.201 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)Nc1ccccc1OCC1CC1 ZINC000737796953 598946070 /nfs/dbraw/zinc/94/60/70/598946070.db2.gz CPXBQGZQLNSMFK-VAWYXSNFSA-N -1 3 361.405 3.307 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)Nc1ccccc1OCC1CC1 ZINC000737796953 598946071 /nfs/dbraw/zinc/94/60/71/598946071.db2.gz CPXBQGZQLNSMFK-VAWYXSNFSA-N -1 3 361.405 3.307 20 0 FGADHM Cc1ccc(C(C)C)c(OS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)c1 ZINC000737316828 598995684 /nfs/dbraw/zinc/99/56/84/598995684.db2.gz GULKMSRIKXUKHI-UHFFFAOYSA-N -1 3 372.450 3.375 20 0 FGADHM Cc1ccc(C(C)C)c(OS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)c1 ZINC000737316828 598995685 /nfs/dbraw/zinc/99/56/85/598995685.db2.gz GULKMSRIKXUKHI-UHFFFAOYSA-N -1 3 372.450 3.375 20 0 FGADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)C[C@H]2OCCc3ccccc32)s1 ZINC000736678682 598995891 /nfs/dbraw/zinc/99/58/91/598995891.db2.gz DTXAVRBVAUOBPY-OAHLLOKOSA-N -1 3 369.450 3.133 20 0 FGADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)C[C@H]2OCCc3ccccc32)s1 ZINC000736678682 598995893 /nfs/dbraw/zinc/99/58/93/598995893.db2.gz DTXAVRBVAUOBPY-OAHLLOKOSA-N -1 3 369.450 3.133 20 0 FGADHM C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000736230914 599008877 /nfs/dbraw/zinc/00/88/77/599008877.db2.gz AIJXSBSGZMIECD-HNAYVOBHSA-N -1 3 361.449 3.204 20 0 FGADHM C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000736230914 599008878 /nfs/dbraw/zinc/00/88/78/599008878.db2.gz AIJXSBSGZMIECD-HNAYVOBHSA-N -1 3 361.449 3.204 20 0 FGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)NC1(C(F)(F)F)CCCCC1 ZINC000738179409 599010992 /nfs/dbraw/zinc/01/09/92/599010992.db2.gz UDFJFZBIKILJEK-UHFFFAOYSA-N -1 3 354.336 3.253 20 0 FGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)NC1(C(F)(F)F)CCCCC1 ZINC000738179409 599010994 /nfs/dbraw/zinc/01/09/94/599010994.db2.gz UDFJFZBIKILJEK-UHFFFAOYSA-N -1 3 354.336 3.253 20 0 FGADHM CC(C)CN(C(=O)C[C@H](C)c1cccnc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000735819094 599026618 /nfs/dbraw/zinc/02/66/18/599026618.db2.gz RSINAUVOENKJCR-HNNXBMFYSA-N -1 3 364.453 3.445 20 0 FGADHM CC(C)CN(C(=O)C[C@H](C)c1cccnc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000735819094 599026620 /nfs/dbraw/zinc/02/66/20/599026620.db2.gz RSINAUVOENKJCR-HNNXBMFYSA-N -1 3 364.453 3.445 20 0 FGADHM CC(C)(C)OC(=O)NC[C@H]1CCCC[C@H]1Nc1ccc(-c2nn[n-]n2)cc1 ZINC000819939796 599052395 /nfs/dbraw/zinc/05/23/95/599052395.db2.gz JTIMDBADQZXNOO-GDBMZVCRSA-N -1 3 372.473 3.362 20 0 FGADHM Fc1cccc(CCNc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)c1F ZINC000737666437 599057307 /nfs/dbraw/zinc/05/73/07/599057307.db2.gz LFDJEIOXNRZGFR-UHFFFAOYSA-N -1 3 370.285 3.213 20 0 FGADHM Fc1cccc(CCNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)c1F ZINC000737666437 599057310 /nfs/dbraw/zinc/05/73/10/599057310.db2.gz LFDJEIOXNRZGFR-UHFFFAOYSA-N -1 3 370.285 3.213 20 0 FGADHM Fc1cc(-c2nnn[n-]2)cc(F)c1N1CC[C@H](COCc2ccccc2)C1 ZINC000822736553 599063093 /nfs/dbraw/zinc/06/30/93/599063093.db2.gz GLULSDOICYFGGA-AWEZNQCLSA-N -1 3 371.391 3.188 20 0 FGADHM Fc1cc(-c2nn[n-]n2)cc(F)c1N1CC[C@H](COCc2ccccc2)C1 ZINC000822736553 599063095 /nfs/dbraw/zinc/06/30/95/599063095.db2.gz GLULSDOICYFGGA-AWEZNQCLSA-N -1 3 371.391 3.188 20 0 FGADHM CC[C@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(=O)NCc1ccccc1 ZINC000736391758 599063593 /nfs/dbraw/zinc/06/35/93/599063593.db2.gz NRJXVWPBINNIAU-HNNXBMFYSA-N -1 3 371.441 3.193 20 0 FGADHM CC[C@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(=O)NCc1ccccc1 ZINC000736391758 599063596 /nfs/dbraw/zinc/06/35/96/599063596.db2.gz NRJXVWPBINNIAU-HNNXBMFYSA-N -1 3 371.441 3.193 20 0 FGADHM Cc1cc(C)c(-c2nnn[n-]2)c(NC[C@@H](C)Oc2cccc(Cl)c2)n1 ZINC000822193411 599064997 /nfs/dbraw/zinc/06/49/97/599064997.db2.gz WQIBOEABZFKNLZ-GFCCVEGCSA-N -1 3 358.833 3.411 20 0 FGADHM Cc1cc(C)c(-c2nn[n-]n2)c(NC[C@@H](C)Oc2cccc(Cl)c2)n1 ZINC000822193411 599065000 /nfs/dbraw/zinc/06/50/00/599065000.db2.gz WQIBOEABZFKNLZ-GFCCVEGCSA-N -1 3 358.833 3.411 20 0 FGADHM CCN(C(=O)c1c(F)cccc1F)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736505396 599070671 /nfs/dbraw/zinc/07/06/71/599070671.db2.gz HYXQCCVIXAMZRK-LLVKDONJSA-N -1 3 357.364 3.368 20 0 FGADHM CCN(C(=O)c1c(F)cccc1F)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736505396 599070673 /nfs/dbraw/zinc/07/06/73/599070673.db2.gz HYXQCCVIXAMZRK-LLVKDONJSA-N -1 3 357.364 3.368 20 0 FGADHM C[C@@H]1CN(c2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)C[C@@H](C)S1 ZINC000820769350 599074737 /nfs/dbraw/zinc/07/47/37/599074737.db2.gz SULQTFYRPONADC-NXEZZACHSA-N -1 3 360.874 3.399 20 0 FGADHM C[C@@H]1CN(c2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)C[C@@H](C)S1 ZINC000820769350 599074740 /nfs/dbraw/zinc/07/47/40/599074740.db2.gz SULQTFYRPONADC-NXEZZACHSA-N -1 3 360.874 3.399 20 0 FGADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@@H](C)C1CCCCC1 ZINC000735733922 599079741 /nfs/dbraw/zinc/07/97/41/599079741.db2.gz DDBUXCOEQBYMBF-KBXCAEBGSA-N -1 3 371.485 3.355 20 0 FGADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@@H](C)C1CCCCC1 ZINC000735733922 599079744 /nfs/dbraw/zinc/07/97/44/599079744.db2.gz DDBUXCOEQBYMBF-KBXCAEBGSA-N -1 3 371.485 3.355 20 0 FGADHM CCC[C@@H](CCc1ccccc1)NC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736427634 599083882 /nfs/dbraw/zinc/08/38/82/599083882.db2.gz YQUHUXIUZGPIQE-IBGZPJMESA-N -1 3 363.465 3.327 20 0 FGADHM CCC[C@@H](CCc1ccccc1)NC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736427634 599083885 /nfs/dbraw/zinc/08/38/85/599083885.db2.gz YQUHUXIUZGPIQE-IBGZPJMESA-N -1 3 363.465 3.327 20 0 FGADHM C[C@@H]1CCC[C@H](C)CN1C(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000736245575 599087035 /nfs/dbraw/zinc/08/70/35/599087035.db2.gz SWNAFRMSCXVTNV-UONOGXRCSA-N -1 3 359.499 3.137 20 0 FGADHM C[C@@H]1CCC[C@H](C)CN1C(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000736245575 599087038 /nfs/dbraw/zinc/08/70/38/599087038.db2.gz SWNAFRMSCXVTNV-UONOGXRCSA-N -1 3 359.499 3.137 20 0 FGADHM C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1C(=O)c1sccc1-c1nnn[n-]1 ZINC000736236681 599091274 /nfs/dbraw/zinc/09/12/74/599091274.db2.gz SULHCEPNTJYNME-XUJVJEKNSA-N -1 3 353.451 3.335 20 0 FGADHM C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1C(=O)c1sccc1-c1nn[n-]n1 ZINC000736236681 599091277 /nfs/dbraw/zinc/09/12/77/599091277.db2.gz SULHCEPNTJYNME-XUJVJEKNSA-N -1 3 353.451 3.335 20 0 FGADHM CC1(C)CCCN(C(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736211558 599093106 /nfs/dbraw/zinc/09/31/06/599093106.db2.gz OROCOFKAWLBUSY-UHFFFAOYSA-N -1 3 371.485 3.455 20 0 FGADHM CC1(C)CCCN(C(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736211558 599093109 /nfs/dbraw/zinc/09/31/09/599093109.db2.gz OROCOFKAWLBUSY-UHFFFAOYSA-N -1 3 371.485 3.455 20 0 FGADHM COCc1nc(CSc2nc3c(cc2-c2nnn[n-]2)CCCC3)cs1 ZINC000821696756 599123040 /nfs/dbraw/zinc/12/30/40/599123040.db2.gz OPEQMVKPMRVPPH-UHFFFAOYSA-N -1 3 374.495 3.036 20 0 FGADHM COCc1nc(CSc2nc3c(cc2-c2nn[n-]n2)CCCC3)cs1 ZINC000821696756 599123044 /nfs/dbraw/zinc/12/30/44/599123044.db2.gz OPEQMVKPMRVPPH-UHFFFAOYSA-N -1 3 374.495 3.036 20 0 FGADHM COC(=O)[C@H](Sc1nc(C)cc(C)c1-c1nnn[n-]1)c1ccccc1F ZINC000821650233 599123151 /nfs/dbraw/zinc/12/31/51/599123151.db2.gz MTEVXUYRPJMTHA-CQSZACIVSA-N -1 3 373.413 3.024 20 0 FGADHM COC(=O)[C@H](Sc1nc(C)cc(C)c1-c1nn[n-]n1)c1ccccc1F ZINC000821650233 599123153 /nfs/dbraw/zinc/12/31/53/599123153.db2.gz MTEVXUYRPJMTHA-CQSZACIVSA-N -1 3 373.413 3.024 20 0 FGADHM FC(F)(F)COc1ccccc1CSc1ccc(-c2nnn[n-]2)cn1 ZINC000822719091 599126037 /nfs/dbraw/zinc/12/60/37/599126037.db2.gz YZZAOVWBSBEPAF-UHFFFAOYSA-N -1 3 367.356 3.495 20 0 FGADHM FC(F)(F)COc1ccccc1CSc1ccc(-c2nn[n-]n2)cn1 ZINC000822719091 599126038 /nfs/dbraw/zinc/12/60/38/599126038.db2.gz YZZAOVWBSBEPAF-UHFFFAOYSA-N -1 3 367.356 3.495 20 0 FGADHM C[C@@H](NC(=O)[C@H]1SCCc2sccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000820322060 599136280 /nfs/dbraw/zinc/13/62/80/599136280.db2.gz QGYBLPPSICRNKI-BMIGLBTASA-N -1 3 371.491 3.136 20 0 FGADHM C[C@@H](NC(=O)[C@H]1SCCc2sccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000820322060 599136283 /nfs/dbraw/zinc/13/62/83/599136283.db2.gz QGYBLPPSICRNKI-BMIGLBTASA-N -1 3 371.491 3.136 20 0 FGADHM CCN(C(=O)Nc1cc(-c2nnn[n-]2)ccc1C)[C@@H](C)c1cccnc1 ZINC000736506396 599144954 /nfs/dbraw/zinc/14/49/54/599144954.db2.gz XCTAEYHIIXVLBT-ZDUSSCGKSA-N -1 3 351.414 3.185 20 0 FGADHM CCN(C(=O)Nc1cc(-c2nn[n-]n2)ccc1C)[C@@H](C)c1cccnc1 ZINC000736506396 599144956 /nfs/dbraw/zinc/14/49/56/599144956.db2.gz XCTAEYHIIXVLBT-ZDUSSCGKSA-N -1 3 351.414 3.185 20 0 FGADHM C[C@H](CCc1ccccc1F)C(=O)N(C)c1cccc(-c2nnn[n-]2)c1 ZINC000820254493 599147067 /nfs/dbraw/zinc/14/70/67/599147067.db2.gz QCBYUQQNQKHVHY-CYBMUJFWSA-N -1 3 353.401 3.238 20 0 FGADHM C[C@H](CCc1ccccc1F)C(=O)N(C)c1cccc(-c2nn[n-]n2)c1 ZINC000820254493 599147070 /nfs/dbraw/zinc/14/70/70/599147070.db2.gz QCBYUQQNQKHVHY-CYBMUJFWSA-N -1 3 353.401 3.238 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H](C)CCc1ccccc1F ZINC000821755625 599148412 /nfs/dbraw/zinc/14/84/12/599148412.db2.gz IJRLHNPDKZHYBI-LBPRGKRZSA-N -1 3 369.400 3.222 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H](C)CCc1ccccc1F ZINC000821755625 599148414 /nfs/dbraw/zinc/14/84/14/599148414.db2.gz IJRLHNPDKZHYBI-LBPRGKRZSA-N -1 3 369.400 3.222 20 0 FGADHM CC(C)CN(C(=S)NC(C1CC1)C1CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000735828055 599157508 /nfs/dbraw/zinc/15/75/08/599157508.db2.gz ZMAAEQKUIPIXHH-UHFFFAOYSA-N -1 3 370.526 3.392 20 0 FGADHM CC(C)CN(C(=S)NC(C1CC1)C1CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000735828055 599157509 /nfs/dbraw/zinc/15/75/09/599157509.db2.gz ZMAAEQKUIPIXHH-UHFFFAOYSA-N -1 3 370.526 3.392 20 0 FGADHM C[C@H](NCc1ccc(-c2nnn[n-]2)cc1)c1nc(C2CCCCC2)no1 ZINC000820427566 599157911 /nfs/dbraw/zinc/15/79/11/599157911.db2.gz SXZDMZWQFJQNJH-LBPRGKRZSA-N -1 3 353.430 3.148 20 0 FGADHM C[C@H](NCc1ccc(-c2nn[n-]n2)cc1)c1nc(C2CCCCC2)no1 ZINC000820427566 599157913 /nfs/dbraw/zinc/15/79/13/599157913.db2.gz SXZDMZWQFJQNJH-LBPRGKRZSA-N -1 3 353.430 3.148 20 0 FGADHM c1coc(-c2c3c(nc(SCc4ccon4)c2-c2nnn[n-]2)CCC3)c1 ZINC000738447922 599159626 /nfs/dbraw/zinc/15/96/26/599159626.db2.gz LNGSNQFOBDICRY-UHFFFAOYSA-N -1 3 366.406 3.291 20 0 FGADHM CCSc1ccccc1OC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000736665755 599164444 /nfs/dbraw/zinc/16/44/44/599164444.db2.gz HTUNQEMYZUHJJR-GFCCVEGCSA-N -1 3 370.434 3.352 20 0 FGADHM CCSc1ccccc1OC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000736668410 599164459 /nfs/dbraw/zinc/16/44/59/599164459.db2.gz XDHDFFIUHWSPHR-LBPRGKRZSA-N -1 3 370.434 3.352 20 0 FGADHM CCSc1ccccc1OC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000736668410 599164461 /nfs/dbraw/zinc/16/44/61/599164461.db2.gz XDHDFFIUHWSPHR-LBPRGKRZSA-N -1 3 370.434 3.352 20 0 FGADHM CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)c1sccc1-c1nnn[n-]1 ZINC000736355089 599166708 /nfs/dbraw/zinc/16/67/08/599166708.db2.gz XLVVFQRCNLFBLF-LBPRGKRZSA-N -1 3 361.858 3.333 20 0 FGADHM CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)c1sccc1-c1nn[n-]n1 ZINC000736355089 599166711 /nfs/dbraw/zinc/16/67/11/599166711.db2.gz XLVVFQRCNLFBLF-LBPRGKRZSA-N -1 3 361.858 3.333 20 0 FGADHM Cc1ccc([C@@H]2CSCCN2C(=O)c2sccc2-c2nnn[n-]2)cc1 ZINC000737332074 599167171 /nfs/dbraw/zinc/16/71/71/599167171.db2.gz NXGPHJFXSBZEMZ-AWEZNQCLSA-N -1 3 371.491 3.167 20 0 FGADHM Cc1ccc([C@@H]2CSCCN2C(=O)c2sccc2-c2nn[n-]n2)cc1 ZINC000737332074 599167174 /nfs/dbraw/zinc/16/71/74/599167174.db2.gz NXGPHJFXSBZEMZ-AWEZNQCLSA-N -1 3 371.491 3.167 20 0 FGADHM C[C@H](NC(=O)CSc1ccc(-c2nnn[n-]2)cc1F)c1cccs1 ZINC000736110296 599168666 /nfs/dbraw/zinc/16/86/66/599168666.db2.gz HWHDOPPLKWFVRL-VIFPVBQESA-N -1 3 363.443 3.037 20 0 FGADHM C[C@H](NC(=O)CSc1ccc(-c2nn[n-]n2)cc1F)c1cccs1 ZINC000736110296 599168667 /nfs/dbraw/zinc/16/86/67/599168667.db2.gz HWHDOPPLKWFVRL-VIFPVBQESA-N -1 3 363.443 3.037 20 0 FGADHM CC(C)(C)c1ccc([C@@H](O)CNc2ncc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000735651674 599171141 /nfs/dbraw/zinc/17/11/41/599171141.db2.gz VHDQYYFHKRRZQG-HNNXBMFYSA-N -1 3 372.860 3.358 20 0 FGADHM CC(C)(C)c1ccc([C@@H](O)CNc2ncc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000735651674 599171144 /nfs/dbraw/zinc/17/11/44/599171144.db2.gz VHDQYYFHKRRZQG-HNNXBMFYSA-N -1 3 372.860 3.358 20 0 FGADHM Cc1nc(SCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)sc1C ZINC000737485061 599173540 /nfs/dbraw/zinc/17/35/40/599173540.db2.gz YYWQDOMUURKVKI-UHFFFAOYSA-N -1 3 371.451 3.282 20 0 FGADHM Cc1nc(SCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)sc1C ZINC000737485061 599173543 /nfs/dbraw/zinc/17/35/43/599173543.db2.gz YYWQDOMUURKVKI-UHFFFAOYSA-N -1 3 371.451 3.282 20 0 FGADHM C[C@H](NC(=O)c1ccc(-c2ccccc2)n1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736118444 599182225 /nfs/dbraw/zinc/18/22/25/599182225.db2.gz JWAGKNRKPLQBBR-AWEZNQCLSA-N -1 3 372.432 3.363 20 0 FGADHM C[C@H](NC(=O)c1ccc(-c2ccccc2)n1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736118444 599182227 /nfs/dbraw/zinc/18/22/27/599182227.db2.gz JWAGKNRKPLQBBR-AWEZNQCLSA-N -1 3 372.432 3.363 20 0 FGADHM Cc1ccc(CCNC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000737337691 599189425 /nfs/dbraw/zinc/18/94/25/599189425.db2.gz OIXUEQPBPRYCCC-UHFFFAOYSA-N -1 3 356.817 3.193 20 0 FGADHM Cc1ccc(CCNC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000737337691 599189428 /nfs/dbraw/zinc/18/94/28/599189428.db2.gz OIXUEQPBPRYCCC-UHFFFAOYSA-N -1 3 356.817 3.193 20 0 FGADHM CC(C)CN(C(=O)C[C@H](C)n1cccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000735817529 599198983 /nfs/dbraw/zinc/19/89/83/599198983.db2.gz BHHLDAODKANFJN-HNNXBMFYSA-N -1 3 352.442 3.309 20 0 FGADHM CC(C)CN(C(=O)C[C@H](C)n1cccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000735817529 599198985 /nfs/dbraw/zinc/19/89/85/599198985.db2.gz BHHLDAODKANFJN-HNNXBMFYSA-N -1 3 352.442 3.309 20 0 FGADHM CCC(CC)(CNC(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000820887819 599200912 /nfs/dbraw/zinc/20/09/12/599200912.db2.gz SIVZBHVETYYPDX-UHFFFAOYSA-N -1 3 363.465 3.283 20 0 FGADHM CCC(CC)(CNC(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000820887819 599200913 /nfs/dbraw/zinc/20/09/13/599200913.db2.gz SIVZBHVETYYPDX-UHFFFAOYSA-N -1 3 363.465 3.283 20 0 FGADHM CCC(CC)(CNC(=O)c1sccc1-c1nnn[n-]1)c1ccccc1 ZINC000820887844 599201336 /nfs/dbraw/zinc/20/13/36/599201336.db2.gz ULHCZBHDQIHTSU-UHFFFAOYSA-N -1 3 355.467 3.416 20 0 FGADHM CCC(CC)(CNC(=O)c1sccc1-c1nn[n-]n1)c1ccccc1 ZINC000820887844 599201338 /nfs/dbraw/zinc/20/13/38/599201338.db2.gz ULHCZBHDQIHTSU-UHFFFAOYSA-N -1 3 355.467 3.416 20 0 FGADHM C[C@@H]1CN(C(=O)CSc2ccc(-c3nnn[n-]3)cc2)[C@H]1c1ccccc1 ZINC000820733643 599208845 /nfs/dbraw/zinc/20/88/45/599208845.db2.gz HSEYHOHPAWNGKZ-FZKQIMNGSA-N -1 3 365.462 3.178 20 0 FGADHM C[C@@H]1CN(C(=O)CSc2ccc(-c3nn[n-]n3)cc2)[C@H]1c1ccccc1 ZINC000820733643 599208847 /nfs/dbraw/zinc/20/88/47/599208847.db2.gz HSEYHOHPAWNGKZ-FZKQIMNGSA-N -1 3 365.462 3.178 20 0 FGADHM O=C(Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1)C1=COCC1 ZINC000823356489 599220023 /nfs/dbraw/zinc/22/00/23/599220023.db2.gz NCFGCUPORJTJBU-UHFFFAOYSA-N -1 3 367.340 3.041 20 0 FGADHM O=C(Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1)C1=COCC1 ZINC000823356489 599220024 /nfs/dbraw/zinc/22/00/24/599220024.db2.gz NCFGCUPORJTJBU-UHFFFAOYSA-N -1 3 367.340 3.041 20 0 FGADHM C[C@H]1CN(C(=O)Cc2ccc(-c3nnn[n-]3)cc2)CC[C@@H]1c1ccccc1 ZINC000736281171 599222667 /nfs/dbraw/zinc/22/26/67/599222667.db2.gz SFCLSHYRCGXBCG-KXBFYZLASA-N -1 3 361.449 3.061 20 0 FGADHM C[C@H]1CN(C(=O)Cc2ccc(-c3nn[n-]n3)cc2)CC[C@@H]1c1ccccc1 ZINC000736281171 599222669 /nfs/dbraw/zinc/22/26/69/599222669.db2.gz SFCLSHYRCGXBCG-KXBFYZLASA-N -1 3 361.449 3.061 20 0 FGADHM CCOc1cccc(NC(=S)N(C)Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC000821430665 599225064 /nfs/dbraw/zinc/22/50/64/599225064.db2.gz BTYXEIZDJSFNDE-UHFFFAOYSA-N -1 3 368.466 3.094 20 0 FGADHM CCOc1cccc(NC(=S)N(C)Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC000821430665 599225065 /nfs/dbraw/zinc/22/50/65/599225065.db2.gz BTYXEIZDJSFNDE-UHFFFAOYSA-N -1 3 368.466 3.094 20 0 FGADHM CCS[C@H]1CC[C@@H](N(C)C(=S)Nc2ccccc2-c2nnn[n-]2)C1 ZINC000821449413 599231090 /nfs/dbraw/zinc/23/10/90/599231090.db2.gz TWOYPKVFJWFEAF-NEPJUHHUSA-N -1 3 362.528 3.170 20 0 FGADHM CCS[C@H]1CC[C@@H](N(C)C(=S)Nc2ccccc2-c2nn[n-]n2)C1 ZINC000821449413 599231091 /nfs/dbraw/zinc/23/10/91/599231091.db2.gz TWOYPKVFJWFEAF-NEPJUHHUSA-N -1 3 362.528 3.170 20 0 FGADHM C[C@@H](NC(=O)Nc1nc2ccccc2s1)c1cccc(-c2nnn[n-]2)c1 ZINC000820380569 599237399 /nfs/dbraw/zinc/23/73/99/599237399.db2.gz WLGSRQGIGGZZTD-SNVBAGLBSA-N -1 3 365.422 3.359 20 0 FGADHM C[C@@H](NC(=O)Nc1nc2ccccc2s1)c1cccc(-c2nn[n-]n2)c1 ZINC000820380569 599237401 /nfs/dbraw/zinc/23/74/01/599237401.db2.gz WLGSRQGIGGZZTD-SNVBAGLBSA-N -1 3 365.422 3.359 20 0 FGADHM Cc1c(NC(=O)c2csc(-c3ccoc3)n2)cccc1-c1nnn[n-]1 ZINC000822115671 607269924 /nfs/dbraw/zinc/26/99/24/607269924.db2.gz HFFZMQCYFKFPFM-UHFFFAOYSA-N -1 3 352.379 3.144 20 0 FGADHM Cc1c(NC(=O)c2csc(-c3ccoc3)n2)cccc1-c1nn[n-]n1 ZINC000822115671 607269925 /nfs/dbraw/zinc/26/99/25/607269925.db2.gz HFFZMQCYFKFPFM-UHFFFAOYSA-N -1 3 352.379 3.144 20 0 FGADHM CO[C@H](CNC(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)cc1 ZINC000821676618 599241334 /nfs/dbraw/zinc/24/13/34/599241334.db2.gz BZPRJCGPMMDMLD-OAHLLOKOSA-N -1 3 372.816 3.029 20 0 FGADHM CO[C@H](CNC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)cc1 ZINC000821676618 599241335 /nfs/dbraw/zinc/24/13/35/599241335.db2.gz BZPRJCGPMMDMLD-OAHLLOKOSA-N -1 3 372.816 3.029 20 0 FGADHM CCCC[C@@H](CC)CC(=O)O[C@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736436564 599241437 /nfs/dbraw/zinc/24/14/37/599241437.db2.gz DLTVJRYPCVVAFC-ZIAGYGMSSA-N -1 3 373.457 3.343 20 0 FGADHM CCCC[C@@H](CC)CC(=O)O[C@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736436564 599241440 /nfs/dbraw/zinc/24/14/40/599241440.db2.gz DLTVJRYPCVVAFC-ZIAGYGMSSA-N -1 3 373.457 3.343 20 0 FGADHM CC[C@H](Cc1ccccc1)N(C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000820913439 599245510 /nfs/dbraw/zinc/24/55/10/599245510.db2.gz FUHYEZHWMFVTMH-QGZVFWFLSA-N -1 3 350.426 3.352 20 0 FGADHM CC[C@H](Cc1ccccc1)N(C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000820913439 599245513 /nfs/dbraw/zinc/24/55/13/599245513.db2.gz FUHYEZHWMFVTMH-QGZVFWFLSA-N -1 3 350.426 3.352 20 0 FGADHM COc1cccc(CNc2c(-c3nnn[n-]3)cnc3c(C)cc(C)cc32)c1 ZINC000737132363 599255419 /nfs/dbraw/zinc/25/54/19/599255419.db2.gz KPJHBXVHWJZMHW-UHFFFAOYSA-N -1 3 360.421 3.074 20 0 FGADHM COc1cccc(CNc2c(-c3nn[n-]n3)cnc3c(C)cc(C)cc32)c1 ZINC000737132363 599255421 /nfs/dbraw/zinc/25/54/21/599255421.db2.gz KPJHBXVHWJZMHW-UHFFFAOYSA-N -1 3 360.421 3.074 20 0 FGADHM Cc1c(NC(=O)NC2(c3ccc(F)cc3)CC2)cccc1-c1nnn[n-]1 ZINC000822092136 607285729 /nfs/dbraw/zinc/28/57/29/607285729.db2.gz VGWUIJDKXVDQFQ-UHFFFAOYSA-N -1 3 352.373 3.125 20 0 FGADHM Cc1c(NC(=O)NC2(c3ccc(F)cc3)CC2)cccc1-c1nn[n-]n1 ZINC000822092136 607285730 /nfs/dbraw/zinc/28/57/30/607285730.db2.gz VGWUIJDKXVDQFQ-UHFFFAOYSA-N -1 3 352.373 3.125 20 0 FGADHM Cc1c(NC(=O)NC[C@H]2CCCO[C@H]2C(C)(C)C)cccc1-c1nnn[n-]1 ZINC000822097261 607290186 /nfs/dbraw/zinc/29/01/86/607290186.db2.gz WEYDMFJSYHRQCE-CZUORRHYSA-N -1 3 372.473 3.138 20 0 FGADHM Cc1c(NC(=O)NC[C@H]2CCCO[C@H]2C(C)(C)C)cccc1-c1nn[n-]n1 ZINC000822097261 607290187 /nfs/dbraw/zinc/29/01/87/607290187.db2.gz WEYDMFJSYHRQCE-CZUORRHYSA-N -1 3 372.473 3.138 20 0 FGADHM COc1cccc([C@H](C)NC(=O)Nc2cccc(-c3nnn[n-]3)c2C)c1 ZINC000821859233 607290718 /nfs/dbraw/zinc/29/07/18/607290718.db2.gz MRFHZDJUOZWGKG-LBPRGKRZSA-N -1 3 352.398 3.066 20 0 FGADHM COc1cccc([C@H](C)NC(=O)Nc2cccc(-c3nn[n-]n3)c2C)c1 ZINC000821859233 607290719 /nfs/dbraw/zinc/29/07/19/607290719.db2.gz MRFHZDJUOZWGKG-LBPRGKRZSA-N -1 3 352.398 3.066 20 0 FGADHM Cc1cccc(OC[C@@H](C)NC(=O)Nc2cccc(-c3nnn[n-]3)c2C)c1 ZINC000822327686 607291293 /nfs/dbraw/zinc/29/12/93/607291293.db2.gz JDEMMFAWTUKFOM-CYBMUJFWSA-N -1 3 366.425 3.073 20 0 FGADHM Cc1cccc(OC[C@@H](C)NC(=O)Nc2cccc(-c3nn[n-]n3)c2C)c1 ZINC000822327686 607291294 /nfs/dbraw/zinc/29/12/94/607291294.db2.gz JDEMMFAWTUKFOM-CYBMUJFWSA-N -1 3 366.425 3.073 20 0 FGADHM CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000820939260 607295470 /nfs/dbraw/zinc/29/54/70/607295470.db2.gz RZVSTXLKJYXQRD-IFIJOSMWSA-N -1 3 357.458 3.488 20 0 FGADHM CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000820939260 607295471 /nfs/dbraw/zinc/29/54/71/607295471.db2.gz RZVSTXLKJYXQRD-IFIJOSMWSA-N -1 3 357.458 3.488 20 0 FGADHM COc1ccc(S[C@@H](C)C(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1 ZINC000821845435 607297347 /nfs/dbraw/zinc/29/73/47/607297347.db2.gz GFCNNYHWKVDPTB-LBPRGKRZSA-N -1 3 369.450 3.303 20 0 FGADHM COc1ccc(S[C@@H](C)C(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1 ZINC000821845435 607297348 /nfs/dbraw/zinc/29/73/48/607297348.db2.gz GFCNNYHWKVDPTB-LBPRGKRZSA-N -1 3 369.450 3.303 20 0 FGADHM Cc1cc(C)c(NC(=O)c2cccc(-c3nnn[n-]3)c2)c(Br)c1 ZINC000822193990 607298234 /nfs/dbraw/zinc/29/82/34/607298234.db2.gz CUDDEMRXCLJQQG-UHFFFAOYSA-N -1 3 372.226 3.498 20 0 FGADHM Cc1cc(C)c(NC(=O)c2cccc(-c3nn[n-]n3)c2)c(Br)c1 ZINC000822193990 607298235 /nfs/dbraw/zinc/29/82/35/607298235.db2.gz CUDDEMRXCLJQQG-UHFFFAOYSA-N -1 3 372.226 3.498 20 0 FGADHM CC(C)C(NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C)C(C)C ZINC000820026083 607299187 /nfs/dbraw/zinc/29/91/87/607299187.db2.gz HIPNHZYXDGXCNG-UHFFFAOYSA-N -1 3 358.490 3.467 20 0 FGADHM CC(C)C(NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C)C(C)C ZINC000820026083 607299188 /nfs/dbraw/zinc/29/91/88/607299188.db2.gz HIPNHZYXDGXCNG-UHFFFAOYSA-N -1 3 358.490 3.467 20 0 FGADHM CC1CCC(N(C(=O)c2ncc(-c3nnn[n-]3)cc2Cl)C2CC2)CC1 ZINC000820689731 607299500 /nfs/dbraw/zinc/29/95/00/607299500.db2.gz CNLMGGIZFZYEKO-UHFFFAOYSA-N -1 3 360.849 3.098 20 0 FGADHM CC1CCC(N(C(=O)c2ncc(-c3nn[n-]n3)cc2Cl)C2CC2)CC1 ZINC000820689731 607299501 /nfs/dbraw/zinc/29/95/01/607299501.db2.gz CNLMGGIZFZYEKO-UHFFFAOYSA-N -1 3 360.849 3.098 20 0 FGADHM Cc1ccc(CC[C@H](C)NC(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000822234982 599263883 /nfs/dbraw/zinc/26/38/83/599263883.db2.gz NSQAIKOTHRFPDV-GXTWGEPZSA-N -1 3 368.441 3.150 20 0 FGADHM Cc1ccc(CC[C@H](C)NC(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822234982 599263884 /nfs/dbraw/zinc/26/38/84/599263884.db2.gz NSQAIKOTHRFPDV-GXTWGEPZSA-N -1 3 368.441 3.150 20 0 FGADHM c1sc(CNc2ccccc2OC[C@H]2CCCCO2)cc1-c1nnn[n-]1 ZINC000823791862 607314516 /nfs/dbraw/zinc/31/45/16/607314516.db2.gz KWQHGAAHVZTSTC-CQSZACIVSA-N -1 3 371.466 3.488 20 0 FGADHM c1sc(CNc2ccccc2OC[C@H]2CCCCO2)cc1-c1nn[n-]n1 ZINC000823791862 607314517 /nfs/dbraw/zinc/31/45/17/607314517.db2.gz KWQHGAAHVZTSTC-CQSZACIVSA-N -1 3 371.466 3.488 20 0 FGADHM CO[C@H](C)c1cccc(NC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000821673520 599274496 /nfs/dbraw/zinc/27/44/96/599274496.db2.gz DOFPVZDPJFPQIC-CHWSQXEVSA-N -1 3 366.425 3.457 20 0 FGADHM CO[C@H](C)c1cccc(NC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000821673520 599274498 /nfs/dbraw/zinc/27/44/98/599274498.db2.gz DOFPVZDPJFPQIC-CHWSQXEVSA-N -1 3 366.425 3.457 20 0 FGADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)Nc1cccc(C(F)F)c1 ZINC000823239287 599275417 /nfs/dbraw/zinc/27/54/17/599275417.db2.gz ZMVNQGROBPCZIW-UHFFFAOYSA-N -1 3 362.315 3.265 20 0 FGADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)Nc1cccc(C(F)F)c1 ZINC000823239287 599275420 /nfs/dbraw/zinc/27/54/20/599275420.db2.gz ZMVNQGROBPCZIW-UHFFFAOYSA-N -1 3 362.315 3.265 20 0 FGADHM CCC(CC)n1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)n1 ZINC000820897649 607319165 /nfs/dbraw/zinc/31/91/65/607319165.db2.gz KJWJPVZPQUGHSJ-UHFFFAOYSA-N -1 3 359.821 3.330 20 0 FGADHM CCC(CC)n1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000820897649 607319166 /nfs/dbraw/zinc/31/91/66/607319166.db2.gz KJWJPVZPQUGHSJ-UHFFFAOYSA-N -1 3 359.821 3.330 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(COC)cc1 ZINC000736486992 599279009 /nfs/dbraw/zinc/27/90/09/599279009.db2.gz AMMSTGSALJARLP-UHFFFAOYSA-N -1 3 366.425 3.087 20 0 FGADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc2ccn(C)c2c1 ZINC000821608505 599286339 /nfs/dbraw/zinc/28/63/39/599286339.db2.gz KFFOWRVFRLVSSW-UHFFFAOYSA-N -1 3 361.409 3.022 20 0 FGADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc2ccn(C)c2c1 ZINC000821608505 599286341 /nfs/dbraw/zinc/28/63/41/599286341.db2.gz KFFOWRVFRLVSSW-UHFFFAOYSA-N -1 3 361.409 3.022 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H]1CSc2ccccc21 ZINC000736636088 599292467 /nfs/dbraw/zinc/29/24/67/599292467.db2.gz NTRWABNALWSLGY-ZDUSSCGKSA-N -1 3 367.434 3.093 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H]1CSc2ccccc21 ZINC000736636088 599292469 /nfs/dbraw/zinc/29/24/69/599292469.db2.gz NTRWABNALWSLGY-ZDUSSCGKSA-N -1 3 367.434 3.093 20 0 FGADHM CCCCOCC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736460770 599291181 /nfs/dbraw/zinc/29/11/81/599291181.db2.gz PRGJYNOQPVSKAD-UHFFFAOYSA-N -1 3 367.409 3.414 20 0 FGADHM CCCCOCC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736460770 599291183 /nfs/dbraw/zinc/29/11/83/599291183.db2.gz PRGJYNOQPVSKAD-UHFFFAOYSA-N -1 3 367.409 3.414 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NCc1ccn(C(CC)CC)n1 ZINC000821412543 607332059 /nfs/dbraw/zinc/33/20/59/607332059.db2.gz ODGQQPJLGBCFFC-UHFFFAOYSA-N -1 3 355.446 3.435 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NCc1ccn(C(CC)CC)n1 ZINC000821412543 607332060 /nfs/dbraw/zinc/33/20/60/607332060.db2.gz ODGQQPJLGBCFFC-UHFFFAOYSA-N -1 3 355.446 3.435 20 0 FGADHM Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)c1cccc(C(=O)[O-])c1 ZINC000821103454 598150802 /nfs/dbraw/zinc/15/08/02/598150802.db2.gz JQGCKANDDGEEEO-IEBWSBKVSA-N -1 3 350.418 3.141 20 0 FGADHM Cc1ccccc1C(=O)NC1CCN(Cc2cccc(C(=O)[O-])c2)CC1 ZINC000586047562 598210543 /nfs/dbraw/zinc/21/05/43/598210543.db2.gz VKPXFZSODPJAPS-UHFFFAOYSA-N -1 3 352.434 3.088 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(-n2cccc2)c(F)c1 ZINC000738165233 598231254 /nfs/dbraw/zinc/23/12/54/598231254.db2.gz ADUGYPRFZKWCFW-UHFFFAOYSA-N -1 3 366.331 3.188 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(-n2cccc2)c(F)c1 ZINC000738165233 598231256 /nfs/dbraw/zinc/23/12/56/598231256.db2.gz ADUGYPRFZKWCFW-UHFFFAOYSA-N -1 3 366.331 3.188 20 0 FGADHM CO[C@@H](C)CC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736958696 598231553 /nfs/dbraw/zinc/23/15/53/598231553.db2.gz VRWOECJZFOGZMI-LBPRGKRZSA-N -1 3 353.382 3.023 20 0 FGADHM CO[C@@H](C)CC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736958696 598231554 /nfs/dbraw/zinc/23/15/54/598231554.db2.gz VRWOECJZFOGZMI-LBPRGKRZSA-N -1 3 353.382 3.023 20 0 FGADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)CCC1CCCCC1 ZINC000736164366 598232438 /nfs/dbraw/zinc/23/24/38/598232438.db2.gz NGDWCDXEWMBUDY-CQSZACIVSA-N -1 3 357.458 3.063 20 0 FGADHM O=C(N[C@H](c1ccc(F)cc1)C1CCC1)c1sccc1-c1nnn[n-]1 ZINC000737997819 598232949 /nfs/dbraw/zinc/23/29/49/598232949.db2.gz LUMHGANFQVQVIZ-AWEZNQCLSA-N -1 3 357.414 3.339 20 0 FGADHM O=C(N[C@H](c1ccc(F)cc1)C1CCC1)c1sccc1-c1nn[n-]n1 ZINC000737997819 598232951 /nfs/dbraw/zinc/23/29/51/598232951.db2.gz LUMHGANFQVQVIZ-AWEZNQCLSA-N -1 3 357.414 3.339 20 0 FGADHM O=C(N[C@@H](c1ccc(F)cc1)C1CCC1)c1sccc1-c1nnn[n-]1 ZINC000737997821 598233028 /nfs/dbraw/zinc/23/30/28/598233028.db2.gz LUMHGANFQVQVIZ-CQSZACIVSA-N -1 3 357.414 3.339 20 0 FGADHM O=C(N[C@@H](c1ccc(F)cc1)C1CCC1)c1sccc1-c1nn[n-]n1 ZINC000737997821 598233029 /nfs/dbraw/zinc/23/30/29/598233029.db2.gz LUMHGANFQVQVIZ-CQSZACIVSA-N -1 3 357.414 3.339 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1NCc1cc(Cl)c2c(c1)OCCO2 ZINC000737645435 598238275 /nfs/dbraw/zinc/23/82/75/598238275.db2.gz YFWOXPKUHDLYBW-UHFFFAOYSA-N -1 3 361.764 3.043 20 0 FGADHM COc1ccccc1N1CCC(Nc2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000737152204 598242718 /nfs/dbraw/zinc/24/27/18/598242718.db2.gz JXUJNLKYDPJATA-UHFFFAOYSA-N -1 3 368.416 3.095 20 0 FGADHM CSC1(CNc2ccc(C(F)(F)F)c(-c3nnn[n-]3)c2)CCOCC1 ZINC000821949295 607346581 /nfs/dbraw/zinc/34/65/81/607346581.db2.gz GKESBFVUFJLVOG-UHFFFAOYSA-N -1 3 373.404 3.210 20 0 FGADHM CSC1(CNc2ccc(C(F)(F)F)c(-c3nn[n-]n3)c2)CCOCC1 ZINC000821949295 607346582 /nfs/dbraw/zinc/34/65/82/607346582.db2.gz GKESBFVUFJLVOG-UHFFFAOYSA-N -1 3 373.404 3.210 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1OS(=O)(=O)c1ccc2ccccc2c1 ZINC000737221305 598273771 /nfs/dbraw/zinc/27/37/71/598273771.db2.gz IEYNCZOELYTYBY-UHFFFAOYSA-N -1 3 366.402 3.096 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1OS(=O)(=O)c1ccc2ccccc2c1 ZINC000737221305 598273773 /nfs/dbraw/zinc/27/37/73/598273773.db2.gz IEYNCZOELYTYBY-UHFFFAOYSA-N -1 3 366.402 3.096 20 0 FGADHM Fc1cccc(OCCSCCOc2ccccc2-c2nnn[n-]2)c1 ZINC000737662698 598274170 /nfs/dbraw/zinc/27/41/70/598274170.db2.gz CXFGOZQTGFNQIP-UHFFFAOYSA-N -1 3 360.414 3.197 20 0 FGADHM Fc1cccc(OCCSCCOc2ccccc2-c2nn[n-]n2)c1 ZINC000737662698 598274172 /nfs/dbraw/zinc/27/41/72/598274172.db2.gz CXFGOZQTGFNQIP-UHFFFAOYSA-N -1 3 360.414 3.197 20 0 FGADHM Cc1cccc2c1CC[C@H]2NC(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000737411223 598277620 /nfs/dbraw/zinc/27/76/20/598277620.db2.gz WQCBJIIKBPSEHK-MRXNPFEDSA-N -1 3 350.451 3.149 20 0 FGADHM Cc1cccc2c1CC[C@H]2NC(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000737411223 598277622 /nfs/dbraw/zinc/27/76/22/598277622.db2.gz WQCBJIIKBPSEHK-MRXNPFEDSA-N -1 3 350.451 3.149 20 0 FGADHM CC(C)C[C@@H]1CCCN1C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000735794920 598280717 /nfs/dbraw/zinc/28/07/17/598280717.db2.gz ICNZCIGJNONOKK-AWEZNQCLSA-N -1 3 359.478 3.466 20 0 FGADHM CC(C)C[C@@H]1CCCN1C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000735794920 598280716 /nfs/dbraw/zinc/28/07/16/598280716.db2.gz ICNZCIGJNONOKK-AWEZNQCLSA-N -1 3 359.478 3.466 20 0 FGADHM Cc1ccc(OCCCC(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000737366166 598282765 /nfs/dbraw/zinc/28/27/65/598282765.db2.gz PVRCPCVBHBRXIV-UHFFFAOYSA-N -1 3 369.400 3.136 20 0 FGADHM Cc1ccc(OCCCC(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000737366166 598282766 /nfs/dbraw/zinc/28/27/66/598282766.db2.gz PVRCPCVBHBRXIV-UHFFFAOYSA-N -1 3 369.400 3.136 20 0 FGADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1OCC1CC1 ZINC000738229941 598290145 /nfs/dbraw/zinc/29/01/45/598290145.db2.gz BZAFNUKJTQLVOD-UHFFFAOYSA-N -1 3 350.378 3.013 20 0 FGADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1OCC1CC1 ZINC000738229941 598290147 /nfs/dbraw/zinc/29/01/47/598290147.db2.gz BZAFNUKJTQLVOD-UHFFFAOYSA-N -1 3 350.378 3.013 20 0 FGADHM Cc1ccc(-c2ccncc2)cc1NC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000737287355 598297398 /nfs/dbraw/zinc/29/73/98/598297398.db2.gz DWZRTSIXIBZROY-UHFFFAOYSA-N -1 3 370.416 3.418 20 0 FGADHM Cc1ccc(-c2ccncc2)cc1NC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000737287355 598297399 /nfs/dbraw/zinc/29/73/99/598297399.db2.gz DWZRTSIXIBZROY-UHFFFAOYSA-N -1 3 370.416 3.418 20 0 FGADHM CCC[C@@H](C(=O)NCc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000736417704 598304426 /nfs/dbraw/zinc/30/44/26/598304426.db2.gz UVZKJBGXCRMMPV-MRXNPFEDSA-N -1 3 353.401 3.206 20 0 FGADHM CCC[C@@H](C(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000736417704 598304428 /nfs/dbraw/zinc/30/44/28/598304428.db2.gz UVZKJBGXCRMMPV-MRXNPFEDSA-N -1 3 353.401 3.206 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)OCCC1CCCC1 ZINC000737032168 598307022 /nfs/dbraw/zinc/30/70/22/598307022.db2.gz DWIXJENJRFNTOF-UHFFFAOYSA-N -1 3 374.441 3.158 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)OCCC1CCCC1 ZINC000737032168 598307024 /nfs/dbraw/zinc/30/70/24/598307024.db2.gz DWIXJENJRFNTOF-UHFFFAOYSA-N -1 3 374.441 3.158 20 0 FGADHM CN(C(=O)c1cccc(C(F)(F)F)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000736741194 598311360 /nfs/dbraw/zinc/31/13/60/598311360.db2.gz CFPSPGMCWRULER-UHFFFAOYSA-N -1 3 365.290 3.301 20 0 FGADHM CN(C(=O)c1cccc(C(F)(F)F)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736741194 598311362 /nfs/dbraw/zinc/31/13/62/598311362.db2.gz CFPSPGMCWRULER-UHFFFAOYSA-N -1 3 365.290 3.301 20 0 FGADHM Cc1ccc(SCC(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000737368490 598311760 /nfs/dbraw/zinc/31/17/60/598311760.db2.gz LBBDMIJOXHFRRI-UHFFFAOYSA-N -1 3 357.414 3.069 20 0 FGADHM Cc1ccc(SCC(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000737368490 598311762 /nfs/dbraw/zinc/31/17/62/598311762.db2.gz LBBDMIJOXHFRRI-UHFFFAOYSA-N -1 3 357.414 3.069 20 0 FGADHM Fc1ccc(-c2nnn[n-]2)cc1CSCc1cccc2c1OCCO2 ZINC000737651516 598315579 /nfs/dbraw/zinc/31/55/79/598315579.db2.gz SRUPLSGCLFUGKD-UHFFFAOYSA-N -1 3 358.398 3.210 20 0 FGADHM Fc1ccc(-c2nn[n-]n2)cc1CSCc1cccc2c1OCCO2 ZINC000737651516 598315581 /nfs/dbraw/zinc/31/55/81/598315581.db2.gz SRUPLSGCLFUGKD-UHFFFAOYSA-N -1 3 358.398 3.210 20 0 FGADHM CCC[C@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000736431523 598317591 /nfs/dbraw/zinc/31/75/91/598317591.db2.gz KFWUBDSWJSRYMM-KRWDZBQOSA-N -1 3 368.416 3.346 20 0 FGADHM CCC[C@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000736431523 598317592 /nfs/dbraw/zinc/31/75/92/598317592.db2.gz KFWUBDSWJSRYMM-KRWDZBQOSA-N -1 3 368.416 3.346 20 0 FGADHM COc1ccccc1N(C)C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737153883 598320528 /nfs/dbraw/zinc/32/05/28/598320528.db2.gz WMQBQNOBNHHDJN-UHFFFAOYSA-N -1 3 374.857 3.362 20 0 FGADHM COc1ccccc1N(C)C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737153883 598320530 /nfs/dbraw/zinc/32/05/30/598320530.db2.gz WMQBQNOBNHHDJN-UHFFFAOYSA-N -1 3 374.857 3.362 20 0 FGADHM CC[C@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F)C1CCCCC1 ZINC000736363424 598320745 /nfs/dbraw/zinc/32/07/45/598320745.db2.gz OCJPDSQBHJHZCP-INIZCTEOSA-N -1 3 360.437 3.164 20 0 FGADHM CC[C@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F)C1CCCCC1 ZINC000736363424 598320747 /nfs/dbraw/zinc/32/07/47/598320747.db2.gz OCJPDSQBHJHZCP-INIZCTEOSA-N -1 3 360.437 3.164 20 0 FGADHM Fc1cccc(CNC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000737659203 598320833 /nfs/dbraw/zinc/32/08/33/598320833.db2.gz ANLYVUWTZKUPCR-UHFFFAOYSA-N -1 3 362.821 3.146 20 0 FGADHM Fc1cccc(CNC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000737659203 598320835 /nfs/dbraw/zinc/32/08/35/598320835.db2.gz ANLYVUWTZKUPCR-UHFFFAOYSA-N -1 3 362.821 3.146 20 0 FGADHM Cc1occc1CN(C)C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737557438 598322776 /nfs/dbraw/zinc/32/27/76/598322776.db2.gz ULPZFLUBNYXWIV-UHFFFAOYSA-N -1 3 362.846 3.250 20 0 FGADHM Cc1occc1CN(C)C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737557438 598322779 /nfs/dbraw/zinc/32/27/79/598322779.db2.gz ULPZFLUBNYXWIV-UHFFFAOYSA-N -1 3 362.846 3.250 20 0 FGADHM S=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N[C@H]1C[C@H]1c1ccccc1 ZINC000738410227 598323382 /nfs/dbraw/zinc/32/33/82/598323382.db2.gz XCDZVZYEJWJZMB-ZFWWWQNUSA-N -1 3 370.869 3.363 20 0 FGADHM S=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N[C@H]1C[C@H]1c1ccccc1 ZINC000738410227 598323384 /nfs/dbraw/zinc/32/33/84/598323384.db2.gz XCDZVZYEJWJZMB-ZFWWWQNUSA-N -1 3 370.869 3.363 20 0 FGADHM CCCOc1cccc(NC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000736493177 598323445 /nfs/dbraw/zinc/32/34/45/598323445.db2.gz SVOQWMGTKCZVSI-UHFFFAOYSA-N -1 3 370.388 3.116 20 0 FGADHM CCCOc1cccc(NC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000736493177 598323447 /nfs/dbraw/zinc/32/34/47/598323447.db2.gz SVOQWMGTKCZVSI-UHFFFAOYSA-N -1 3 370.388 3.116 20 0 FGADHM O=C(NC1CCCCC1)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000738026737 598324505 /nfs/dbraw/zinc/32/45/05/598324505.db2.gz VNFPDDIRMIWCNL-UHFFFAOYSA-N -1 3 367.409 3.101 20 0 FGADHM O=C(NC1CCCCC1)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000738026737 598324507 /nfs/dbraw/zinc/32/45/07/598324507.db2.gz VNFPDDIRMIWCNL-UHFFFAOYSA-N -1 3 367.409 3.101 20 0 FGADHM CC(C)(C)c1ccccc1C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000819957521 607352028 /nfs/dbraw/zinc/35/20/28/607352028.db2.gz AWJQDTKFEONLGV-UHFFFAOYSA-N -1 3 353.401 3.233 20 0 FGADHM CC(C)(C)c1ccccc1C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000819957521 607352029 /nfs/dbraw/zinc/35/20/29/607352029.db2.gz AWJQDTKFEONLGV-UHFFFAOYSA-N -1 3 353.401 3.233 20 0 FGADHM CC1(c2ccccc2)CC(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)C1 ZINC000736223640 598360619 /nfs/dbraw/zinc/36/06/19/598360619.db2.gz OTSMKPWBVOFMIB-QXMHVHEDSA-N -1 3 359.433 3.116 20 0 FGADHM CC1(c2ccccc2)CC(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)C1 ZINC000736223640 598360621 /nfs/dbraw/zinc/36/06/21/598360621.db2.gz OTSMKPWBVOFMIB-QXMHVHEDSA-N -1 3 359.433 3.116 20 0 FGADHM CCOCc1cccc(NC(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736627915 598360734 /nfs/dbraw/zinc/36/07/34/598360734.db2.gz WYGJEBRQNFMKJC-CYBMUJFWSA-N -1 3 366.425 3.286 20 0 FGADHM CCOCc1cccc(NC(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736627915 598360735 /nfs/dbraw/zinc/36/07/35/598360735.db2.gz WYGJEBRQNFMKJC-CYBMUJFWSA-N -1 3 366.425 3.286 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)[C@H]1CCCc2sccc21 ZINC000823426231 607355102 /nfs/dbraw/zinc/35/51/02/607355102.db2.gz DUTCYHNLXFHHDB-ZDUSSCGKSA-N -1 3 358.398 3.231 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)[C@H]1CCCc2sccc21 ZINC000823426231 607355104 /nfs/dbraw/zinc/35/51/04/607355104.db2.gz DUTCYHNLXFHHDB-ZDUSSCGKSA-N -1 3 358.398 3.231 20 0 FGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N1CCC[C@H](Cc2ccccc2)C1 ZINC000738177630 598370870 /nfs/dbraw/zinc/37/08/70/598370870.db2.gz BHUPUMLCOYWJFG-MRXNPFEDSA-N -1 3 362.437 3.353 20 0 FGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N1CCC[C@H](Cc2ccccc2)C1 ZINC000738177630 598370871 /nfs/dbraw/zinc/37/08/71/598370871.db2.gz BHUPUMLCOYWJFG-MRXNPFEDSA-N -1 3 362.437 3.353 20 0 FGADHM Cc1cccc(C2(CNC(=O)c3ccc(-c4nnn[n-]4)cc3)CCCC2)c1 ZINC000737389164 598381990 /nfs/dbraw/zinc/38/19/90/598381990.db2.gz JMHGAVZGDAUVCI-UHFFFAOYSA-N -1 3 361.449 3.417 20 0 FGADHM Cc1cccc(C2(CNC(=O)c3ccc(-c4nn[n-]n4)cc3)CCCC2)c1 ZINC000737389164 598381991 /nfs/dbraw/zinc/38/19/91/598381991.db2.gz JMHGAVZGDAUVCI-UHFFFAOYSA-N -1 3 361.449 3.417 20 0 FGADHM CN(C(=O)CNc1ccc(-c2nn[n-]n2)cc1)c1cccc2ccccc21 ZINC000736732290 598382670 /nfs/dbraw/zinc/38/26/70/598382670.db2.gz DMPNMLBDPUXJGR-UHFFFAOYSA-N -1 3 358.405 3.095 20 0 FGADHM COc1ccc(CC[C@H](C)Nc2ncc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000737089641 598392819 /nfs/dbraw/zinc/39/28/19/598392819.db2.gz SSRMEYSTIVSNCD-NSHDSACASA-N -1 3 358.833 3.357 20 0 FGADHM COc1ccc(CC[C@H](C)Nc2ncc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000737089641 598392821 /nfs/dbraw/zinc/39/28/21/598392821.db2.gz SSRMEYSTIVSNCD-NSHDSACASA-N -1 3 358.833 3.357 20 0 FGADHM O=C(Oc1cccc(OCC(F)(F)F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000738248455 598415317 /nfs/dbraw/zinc/41/53/17/598415317.db2.gz YIACVJXLTLSDIG-UHFFFAOYSA-N -1 3 364.283 3.027 20 0 FGADHM O=C(Oc1cccc(OCC(F)(F)F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000738248455 598415319 /nfs/dbraw/zinc/41/53/19/598415319.db2.gz YIACVJXLTLSDIG-UHFFFAOYSA-N -1 3 364.283 3.027 20 0 FGADHM CSc1ccsc1C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000737191439 598421286 /nfs/dbraw/zinc/42/12/86/598421286.db2.gz MIXZLWBEHTXGCH-UHFFFAOYSA-N -1 3 371.491 3.455 20 0 FGADHM CSc1ccsc1C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000737191439 598421287 /nfs/dbraw/zinc/42/12/87/598421287.db2.gz MIXZLWBEHTXGCH-UHFFFAOYSA-N -1 3 371.491 3.455 20 0 FGADHM CCCCN(C)c1ccc(NC(=O)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736452558 598424484 /nfs/dbraw/zinc/42/44/84/598424484.db2.gz FMAWDPBFDIEOGQ-UHFFFAOYSA-N -1 3 364.453 3.284 20 0 FGADHM CCCCN(C)c1ccc(NC(=O)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736452558 598424485 /nfs/dbraw/zinc/42/44/85/598424485.db2.gz FMAWDPBFDIEOGQ-UHFFFAOYSA-N -1 3 364.453 3.284 20 0 FGADHM CCCCN(C)c1ccc(Nc2nnc(C)c(C)c2-c2nnn[n-]2)cc1 ZINC000736454037 598426664 /nfs/dbraw/zinc/42/66/64/598426664.db2.gz WYCAYNPSPWRBLZ-UHFFFAOYSA-N -1 3 352.446 3.253 20 0 FGADHM CCCCN(C)c1ccc(Nc2nnc(C)c(C)c2-c2nn[n-]n2)cc1 ZINC000736454037 598426666 /nfs/dbraw/zinc/42/66/66/598426666.db2.gz WYCAYNPSPWRBLZ-UHFFFAOYSA-N -1 3 352.446 3.253 20 0 FGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1ccsc1 ZINC000735875066 598428182 /nfs/dbraw/zinc/42/81/82/598428182.db2.gz ZBCBBAZISSZVCN-UHFFFAOYSA-N -1 3 356.455 3.048 20 0 FGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1ccsc1 ZINC000735875066 598428184 /nfs/dbraw/zinc/42/81/84/598428184.db2.gz ZBCBBAZISSZVCN-UHFFFAOYSA-N -1 3 356.455 3.048 20 0 FGADHM C[C@H](NC(=O)NC1(c2ccccc2)CCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736110340 598430814 /nfs/dbraw/zinc/43/08/14/598430814.db2.gz AQJILTVGNSVLPW-AWEZNQCLSA-N -1 3 362.437 3.306 20 0 FGADHM C[C@H](NC(=O)NC1(c2ccccc2)CCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736110340 598430815 /nfs/dbraw/zinc/43/08/15/598430815.db2.gz AQJILTVGNSVLPW-AWEZNQCLSA-N -1 3 362.437 3.306 20 0 FGADHM CCCOCCOC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736487732 598433021 /nfs/dbraw/zinc/43/30/21/598433021.db2.gz ILMXXGDONJVRSL-UHFFFAOYSA-N -1 3 368.393 3.242 20 0 FGADHM CCCOCCOC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736487732 598433023 /nfs/dbraw/zinc/43/30/23/598433023.db2.gz ILMXXGDONJVRSL-UHFFFAOYSA-N -1 3 368.393 3.242 20 0 FGADHM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)cn1)c1ccc(-c2ccccc2)cc1 ZINC000736120682 598438375 /nfs/dbraw/zinc/43/83/75/598438375.db2.gz ZSNFAABRDFTXIF-AWEZNQCLSA-N -1 3 370.416 3.420 20 0 FGADHM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)cn1)c1ccc(-c2ccccc2)cc1 ZINC000736120682 598438377 /nfs/dbraw/zinc/43/83/77/598438377.db2.gz ZSNFAABRDFTXIF-AWEZNQCLSA-N -1 3 370.416 3.420 20 0 FGADHM CC(C)[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)cn1)c1ccc(Cl)cc1 ZINC000735720897 598440911 /nfs/dbraw/zinc/44/09/11/598440911.db2.gz LGZSJBUONLNMRN-OAHLLOKOSA-N -1 3 356.817 3.042 20 0 FGADHM CC(C)[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)cn1)c1ccc(Cl)cc1 ZINC000735720897 598440912 /nfs/dbraw/zinc/44/09/12/598440912.db2.gz LGZSJBUONLNMRN-OAHLLOKOSA-N -1 3 356.817 3.042 20 0 FGADHM CC(C)Oc1ccc(F)cc1NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000735913912 598444800 /nfs/dbraw/zinc/44/48/00/598444800.db2.gz DNUNSCBEGICHBY-JXMROGBWSA-N -1 3 367.384 3.445 20 0 FGADHM CC(C)Oc1ccc(F)cc1NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000735913912 598444802 /nfs/dbraw/zinc/44/48/02/598444802.db2.gz DNUNSCBEGICHBY-JXMROGBWSA-N -1 3 367.384 3.445 20 0 FGADHM C[C@@H](CN(C)C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000735993267 598468768 /nfs/dbraw/zinc/46/87/68/598468768.db2.gz CJQOZZXXTQGCFW-LSDHHAIUSA-N -1 3 364.453 3.373 20 0 FGADHM C[C@@H](CN(C)C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000735993267 598468769 /nfs/dbraw/zinc/46/87/69/598468769.db2.gz CJQOZZXXTQGCFW-LSDHHAIUSA-N -1 3 364.453 3.373 20 0 FGADHM COc1cc(Cl)ccc1CNc1c(F)cc(-c2nnn[n-]2)cc1F ZINC000737047681 598469324 /nfs/dbraw/zinc/46/93/24/598469324.db2.gz PNDNDQFMBXTSHX-UHFFFAOYSA-N -1 3 351.744 3.419 20 0 FGADHM COc1cc(Cl)ccc1CNc1c(F)cc(-c2nn[n-]n2)cc1F ZINC000737047681 598469325 /nfs/dbraw/zinc/46/93/25/598469325.db2.gz PNDNDQFMBXTSHX-UHFFFAOYSA-N -1 3 351.744 3.419 20 0 FGADHM O=C(N[C@@H]1CCc2ccccc21)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000738035487 598479067 /nfs/dbraw/zinc/47/90/67/598479067.db2.gz LNTUEHDFYYGDCQ-LJQANCHMSA-N -1 3 374.448 3.228 20 0 FGADHM O=C(N[C@@H]1CCc2ccccc21)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000738035487 598479072 /nfs/dbraw/zinc/47/90/72/598479072.db2.gz LNTUEHDFYYGDCQ-LJQANCHMSA-N -1 3 374.448 3.228 20 0 FGADHM Cc1c(C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cnn1C(C)(C)C ZINC000737209511 598486340 /nfs/dbraw/zinc/48/63/40/598486340.db2.gz RHZZWRZJOFNZEP-LBPRGKRZSA-N -1 3 354.414 3.045 20 0 FGADHM Cc1c(C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cnn1C(C)(C)C ZINC000737209511 598486342 /nfs/dbraw/zinc/48/63/42/598486342.db2.gz RHZZWRZJOFNZEP-LBPRGKRZSA-N -1 3 354.414 3.045 20 0 FGADHM C[C@H](OC(=O)CCCOc1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000736152271 598487557 /nfs/dbraw/zinc/48/75/57/598487557.db2.gz SKHZGBZFAYHSMS-AWEZNQCLSA-N -1 3 352.394 3.330 20 0 FGADHM C[C@H](OC(=O)CCCOc1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000736152271 598487559 /nfs/dbraw/zinc/48/75/59/598487559.db2.gz SKHZGBZFAYHSMS-AWEZNQCLSA-N -1 3 352.394 3.330 20 0 FGADHM CC1CCC(OC2CCN(C(=O)c3ccc(-c4nnn[n-]4)cc3)CC2)CC1 ZINC000736245719 598494187 /nfs/dbraw/zinc/49/41/87/598494187.db2.gz VEEREQPISCHZIE-UHFFFAOYSA-N -1 3 369.469 3.067 20 0 FGADHM CC1CCC(OC2CCN(C(=O)c3ccc(-c4nn[n-]n4)cc3)CC2)CC1 ZINC000736245719 598494189 /nfs/dbraw/zinc/49/41/89/598494189.db2.gz VEEREQPISCHZIE-UHFFFAOYSA-N -1 3 369.469 3.067 20 0 FGADHM CC(C)(C)OCCSCC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000735639696 598511508 /nfs/dbraw/zinc/51/15/08/598511508.db2.gz NLKPSAJRELCIOJ-UHFFFAOYSA-N -1 3 369.878 3.007 20 0 FGADHM CC(C)(C)OCCSCC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000735639696 598511510 /nfs/dbraw/zinc/51/15/10/598511510.db2.gz NLKPSAJRELCIOJ-UHFFFAOYSA-N -1 3 369.878 3.007 20 0 FGADHM CCc1ccc([C@@H](C)C(=O)OCCOc2ccccc2-c2nnn[n-]2)cc1 ZINC000736689706 598533534 /nfs/dbraw/zinc/53/35/34/598533534.db2.gz SDKHNPGYGAVJCN-CQSZACIVSA-N -1 3 366.421 3.155 20 0 FGADHM CCc1ccc([C@@H](C)C(=O)OCCOc2ccccc2-c2nn[n-]n2)cc1 ZINC000736689706 598533536 /nfs/dbraw/zinc/53/35/36/598533536.db2.gz SDKHNPGYGAVJCN-CQSZACIVSA-N -1 3 366.421 3.155 20 0 FGADHM O=C(COc1cccc(-c2nnn[n-]2)c1)N(c1ccccc1)C1CCCC1 ZINC000737918987 598535684 /nfs/dbraw/zinc/53/56/84/598535684.db2.gz FACMIELXAIAQJR-UHFFFAOYSA-N -1 3 363.421 3.221 20 0 FGADHM O=C(COc1cccc(-c2nn[n-]n2)c1)N(c1ccccc1)C1CCCC1 ZINC000737918987 598535685 /nfs/dbraw/zinc/53/56/85/598535685.db2.gz FACMIELXAIAQJR-UHFFFAOYSA-N -1 3 363.421 3.221 20 0 FGADHM CC(C)N(C(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1)C1CC1 ZINC000735857585 598538338 /nfs/dbraw/zinc/53/83/38/598538338.db2.gz VVXJJUYJHZPMDF-UHFFFAOYSA-N -1 3 367.409 3.052 20 0 FGADHM c1ccc(-c2nnn[n-]2)c(OCCSCc2noc3c2CCCC3)c1 ZINC000738427923 598541760 /nfs/dbraw/zinc/54/17/60/598541760.db2.gz ZKPCWUBHQQSKES-UHFFFAOYSA-N -1 3 357.439 3.046 20 0 FGADHM c1ccc(-c2nn[n-]n2)c(OCCSCc2noc3c2CCCC3)c1 ZINC000738427923 598541761 /nfs/dbraw/zinc/54/17/61/598541761.db2.gz ZKPCWUBHQQSKES-UHFFFAOYSA-N -1 3 357.439 3.046 20 0 FGADHM Cc1ccc(CN(C)C(=O)CSCc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000737336902 598542750 /nfs/dbraw/zinc/54/27/50/598542750.db2.gz JRLWKUDXIVPLRG-UHFFFAOYSA-N -1 3 373.507 3.128 20 0 FGADHM Cc1ccc(CN(C)C(=O)CSCc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000737336902 598542753 /nfs/dbraw/zinc/54/27/53/598542753.db2.gz JRLWKUDXIVPLRG-UHFFFAOYSA-N -1 3 373.507 3.128 20 0 FGADHM O=C(CCCc1ccccc1)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000737838108 598545943 /nfs/dbraw/zinc/54/59/43/598545943.db2.gz ZLNQVJVHOGSYNE-UHFFFAOYSA-N -1 3 373.363 3.430 20 0 FGADHM O=C(CCCc1ccccc1)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000737838108 598545944 /nfs/dbraw/zinc/54/59/44/598545944.db2.gz ZLNQVJVHOGSYNE-UHFFFAOYSA-N -1 3 373.363 3.430 20 0 FGADHM CC(C)(C)c1ccc(NC(=O)COc2ccc(-c3nnn[n-]3)c(F)c2)cc1 ZINC000735650271 598548440 /nfs/dbraw/zinc/54/84/40/598548440.db2.gz NLVUVMYTRNUINQ-UHFFFAOYSA-N -1 3 369.400 3.321 20 0 FGADHM CC(C)(C)c1ccc(NC(=O)COc2ccc(-c3nn[n-]n3)c(F)c2)cc1 ZINC000735650271 598548442 /nfs/dbraw/zinc/54/84/42/598548442.db2.gz NLVUVMYTRNUINQ-UHFFFAOYSA-N -1 3 369.400 3.321 20 0 FGADHM Cc1cnc(-c2cccc(NC(=O)CCc3ccc(-c4nnn[n-]4)cc3)c2)o1 ZINC000737444940 598555266 /nfs/dbraw/zinc/55/52/66/598555266.db2.gz DALHXIRWQUVFSQ-UHFFFAOYSA-N -1 3 374.404 3.401 20 0 FGADHM Cc1cnc(-c2cccc(NC(=O)CCc3ccc(-c4nn[n-]n4)cc3)c2)o1 ZINC000737444940 598555267 /nfs/dbraw/zinc/55/52/67/598555267.db2.gz DALHXIRWQUVFSQ-UHFFFAOYSA-N -1 3 374.404 3.401 20 0 FGADHM CSCCC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737176947 598555635 /nfs/dbraw/zinc/55/56/35/598555635.db2.gz PLTLETDJBLLWHK-UHFFFAOYSA-N -1 3 355.423 3.351 20 0 FGADHM CSCCC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737176947 598555636 /nfs/dbraw/zinc/55/56/36/598555636.db2.gz PLTLETDJBLLWHK-UHFFFAOYSA-N -1 3 355.423 3.351 20 0 FGADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)NC1CCCCCC1 ZINC000738145464 598561560 /nfs/dbraw/zinc/56/15/60/598561560.db2.gz MGEJMYBFSGGLLA-UHFFFAOYSA-N -1 3 366.372 3.312 20 0 FGADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)NC1CCCCCC1 ZINC000738145464 598561562 /nfs/dbraw/zinc/56/15/62/598561562.db2.gz MGEJMYBFSGGLLA-UHFFFAOYSA-N -1 3 366.372 3.312 20 0 FGADHM CCCCn1c(C)c(C)nc1SCC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736470072 598568903 /nfs/dbraw/zinc/56/89/03/598568903.db2.gz QSOATSLWNBZYDH-UHFFFAOYSA-N -1 3 370.482 3.455 20 0 FGADHM CCCCn1c(C)c(C)nc1SCC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736470072 598568904 /nfs/dbraw/zinc/56/89/04/598568904.db2.gz QSOATSLWNBZYDH-UHFFFAOYSA-N -1 3 370.482 3.455 20 0 FGADHM O[C@H](c1ccc(Cl)cc1)C1CCN(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000738385356 598580866 /nfs/dbraw/zinc/58/08/66/598580866.db2.gz HVBHVNQDRUXSLN-GOSISDBHSA-N -1 3 369.856 3.470 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[C@H]1CCOc2ccccc21 ZINC000738144961 598582459 /nfs/dbraw/zinc/58/24/59/598582459.db2.gz PGCUKAQPHVNVPO-LBPRGKRZSA-N -1 3 355.785 3.025 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)[C@H]1CCOc2ccccc21 ZINC000738144961 598582460 /nfs/dbraw/zinc/58/24/60/598582460.db2.gz PGCUKAQPHVNVPO-LBPRGKRZSA-N -1 3 355.785 3.025 20 0 FGADHM O=C(OCCc1cccc(C(F)(F)F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000738222939 598585690 /nfs/dbraw/zinc/58/56/90/598585690.db2.gz QLLVJRRIRQPYHM-UHFFFAOYSA-N -1 3 362.311 3.285 20 0 FGADHM O=C(OCCc1cccc(C(F)(F)F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000738222939 598585692 /nfs/dbraw/zinc/58/56/92/598585692.db2.gz QLLVJRRIRQPYHM-UHFFFAOYSA-N -1 3 362.311 3.285 20 0 FGADHM Cc1c(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)sc2nccc(C)c12 ZINC000737443733 598586016 /nfs/dbraw/zinc/58/60/16/598586016.db2.gz JJPMXNXIHVXYGS-UHFFFAOYSA-N -1 3 368.397 3.485 20 0 FGADHM Cc1c(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)sc2nccc(C)c12 ZINC000737443733 598586018 /nfs/dbraw/zinc/58/60/18/598586018.db2.gz JJPMXNXIHVXYGS-UHFFFAOYSA-N -1 3 368.397 3.485 20 0 FGADHM CC(C)Oc1ccccc1CNC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000735913154 598625857 /nfs/dbraw/zinc/62/58/57/598625857.db2.gz HNLUWJWQYIZJBP-UHFFFAOYSA-N -1 3 370.388 3.115 20 0 FGADHM CC(C)Oc1ccccc1CNC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000735913154 598625859 /nfs/dbraw/zinc/62/58/59/598625859.db2.gz HNLUWJWQYIZJBP-UHFFFAOYSA-N -1 3 370.388 3.115 20 0 FGADHM Cc1ccccc1CC(C)(C)NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737427620 598626337 /nfs/dbraw/zinc/62/63/37/598626337.db2.gz UCQLZIWPEGMRJY-UHFFFAOYSA-N -1 3 368.416 3.457 20 0 FGADHM Cc1ccccc1CC(C)(C)NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737427620 598626339 /nfs/dbraw/zinc/62/63/39/598626339.db2.gz UCQLZIWPEGMRJY-UHFFFAOYSA-N -1 3 368.416 3.457 20 0 FGADHM CCOc1cccc([C@@H](C)NC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000736656415 598627382 /nfs/dbraw/zinc/62/73/82/598627382.db2.gz YBDHTWVNGLKEPW-LLVKDONJSA-N -1 3 370.388 3.287 20 0 FGADHM CCOc1cccc([C@@H](C)NC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000736656415 598627383 /nfs/dbraw/zinc/62/73/83/598627383.db2.gz YBDHTWVNGLKEPW-LLVKDONJSA-N -1 3 370.388 3.287 20 0 FGADHM O=C1[C@H](Sc2ccc(-c3nnn[n-]3)cc2)CCN1c1ccccc1Cl ZINC000738296599 598641405 /nfs/dbraw/zinc/64/14/05/598641405.db2.gz LROZZXBQSXTDRB-OAHLLOKOSA-N -1 3 371.853 3.418 20 0 FGADHM O=C1[C@H](Sc2ccc(-c3nn[n-]n3)cc2)CCN1c1ccccc1Cl ZINC000738296599 598641407 /nfs/dbraw/zinc/64/14/07/598641407.db2.gz LROZZXBQSXTDRB-OAHLLOKOSA-N -1 3 371.853 3.418 20 0 FGADHM O=C(O[C@H](c1ccccc1)c1cccnc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738214450 598642752 /nfs/dbraw/zinc/64/27/52/598642752.db2.gz MXJRVZQSFVEQMP-GOSISDBHSA-N -1 3 357.373 3.208 20 0 FGADHM O=C(O[C@H](c1ccccc1)c1cccnc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738214450 598642754 /nfs/dbraw/zinc/64/27/54/598642754.db2.gz MXJRVZQSFVEQMP-GOSISDBHSA-N -1 3 357.373 3.208 20 0 FGADHM Fc1ccc(CSc2nnc(-c3ccccc3F)o2)c(-c2nnn[n-]2)c1 ZINC000737648080 598643337 /nfs/dbraw/zinc/64/33/37/598643337.db2.gz FOCNWTXIVQDQEJ-UHFFFAOYSA-N -1 3 372.360 3.487 20 0 FGADHM Fc1ccc(CSc2nnc(-c3ccccc3F)o2)c(-c2nn[n-]n2)c1 ZINC000737648080 598643339 /nfs/dbraw/zinc/64/33/39/598643339.db2.gz FOCNWTXIVQDQEJ-UHFFFAOYSA-N -1 3 372.360 3.487 20 0 FGADHM O=C(c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1)N1CCCCCC1 ZINC000738268029 598644178 /nfs/dbraw/zinc/64/41/78/598644178.db2.gz HRSLOGKZLRMSNY-UHFFFAOYSA-N -1 3 364.409 3.070 20 0 FGADHM O=C(c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1)N1CCCCCC1 ZINC000738268029 598644180 /nfs/dbraw/zinc/64/41/80/598644180.db2.gz HRSLOGKZLRMSNY-UHFFFAOYSA-N -1 3 364.409 3.070 20 0 FGADHM CC(C)c1ocnc1C(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@@H](C)C2 ZINC000736281290 598646355 /nfs/dbraw/zinc/64/63/55/598646355.db2.gz UWNZVCMFLXEJKR-SECBINFHSA-N -1 3 372.454 3.417 20 0 FGADHM CC(C)c1ocnc1C(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@@H](C)C2 ZINC000736281290 598646356 /nfs/dbraw/zinc/64/63/56/598646356.db2.gz UWNZVCMFLXEJKR-SECBINFHSA-N -1 3 372.454 3.417 20 0 FGADHM CCCCN(CC)C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000736456791 598648133 /nfs/dbraw/zinc/64/81/33/598648133.db2.gz KRPFQTNRVSRUKD-UHFFFAOYSA-N -1 3 366.425 3.316 20 0 FGADHM CCCCN(CC)C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000736456791 598648135 /nfs/dbraw/zinc/64/81/35/598648135.db2.gz KRPFQTNRVSRUKD-UHFFFAOYSA-N -1 3 366.425 3.316 20 0 FGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000737944264 598651707 /nfs/dbraw/zinc/65/17/07/598651707.db2.gz ZNYFHOHPDXVDMW-VNQPRFMTSA-N -1 3 371.510 3.434 20 0 FGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000737944264 598651709 /nfs/dbraw/zinc/65/17/09/598651709.db2.gz ZNYFHOHPDXVDMW-VNQPRFMTSA-N -1 3 371.510 3.434 20 0 FGADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCCCC2)c1cscn1 ZINC000738210488 598656210 /nfs/dbraw/zinc/65/62/10/598656210.db2.gz PUSDBYDEVHRIHG-UHFFFAOYSA-N -1 3 360.468 3.296 20 0 FGADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCCCC2)c1cscn1 ZINC000738210488 598656212 /nfs/dbraw/zinc/65/62/12/598656212.db2.gz PUSDBYDEVHRIHG-UHFFFAOYSA-N -1 3 360.468 3.296 20 0 FGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)Nc1cccc2[nH]ccc21 ZINC000737947548 598659138 /nfs/dbraw/zinc/65/91/38/598659138.db2.gz LVEVDTFMBKIKGF-UHFFFAOYSA-N -1 3 350.407 3.079 20 0 FGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)Nc1cccc2[nH]ccc21 ZINC000737947548 598659140 /nfs/dbraw/zinc/65/91/40/598659140.db2.gz LVEVDTFMBKIKGF-UHFFFAOYSA-N -1 3 350.407 3.079 20 0 FGADHM CC(C)[C@@H](Sc1ccccc1)C(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000735734248 598659720 /nfs/dbraw/zinc/65/97/20/598659720.db2.gz FXLZFAPKWHSWQI-OAHLLOKOSA-N -1 3 354.439 3.017 20 0 FGADHM CC(C)[C@@H](Sc1ccccc1)C(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000735734248 598659722 /nfs/dbraw/zinc/65/97/22/598659722.db2.gz FXLZFAPKWHSWQI-OAHLLOKOSA-N -1 3 354.439 3.017 20 0 FGADHM Cc1cc(NC(=O)[C@@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)ccc1F ZINC000737270310 598660629 /nfs/dbraw/zinc/66/06/29/598660629.db2.gz FXSZAWGFCRWXNS-KRWDZBQOSA-N -1 3 369.400 3.356 20 0 FGADHM Cc1cc(NC(=O)[C@@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)ccc1F ZINC000737270310 598660630 /nfs/dbraw/zinc/66/06/30/598660630.db2.gz FXSZAWGFCRWXNS-KRWDZBQOSA-N -1 3 369.400 3.356 20 0 FGADHM CC(C)[C@H]1CCCC[C@@H]1NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000735752092 598661530 /nfs/dbraw/zinc/66/15/30/598661530.db2.gz XNXPUFOIMQWQDJ-CVEARBPZSA-N -1 3 359.499 3.290 20 0 FGADHM CC(C)[C@H]1CCCC[C@@H]1NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000735752092 598661532 /nfs/dbraw/zinc/66/15/32/598661532.db2.gz XNXPUFOIMQWQDJ-CVEARBPZSA-N -1 3 359.499 3.290 20 0 FGADHM CC[C@H](C)Oc1ccccc1C=CC(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000736326937 598661677 /nfs/dbraw/zinc/66/16/77/598661677.db2.gz JPCPMIBUICTRBT-STRFDMGBSA-N -1 3 364.409 3.091 20 0 FGADHM CC[C@H](C)Oc1ccccc1C=CC(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000736326937 598661678 /nfs/dbraw/zinc/66/16/78/598661678.db2.gz JPCPMIBUICTRBT-STRFDMGBSA-N -1 3 364.409 3.091 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cn1)c1ccc(-c2ccccc2Cl)o1 ZINC000738150277 598663236 /nfs/dbraw/zinc/66/32/36/598663236.db2.gz DCFIUEZUNHPDAB-UHFFFAOYSA-N -1 3 366.768 3.427 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cn1)c1ccc(-c2ccccc2Cl)o1 ZINC000738150277 598663238 /nfs/dbraw/zinc/66/32/38/598663238.db2.gz DCFIUEZUNHPDAB-UHFFFAOYSA-N -1 3 366.768 3.427 20 0 FGADHM C[C@H](Sc1ccccc1Cl)C(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000736190451 598664127 /nfs/dbraw/zinc/66/41/27/598664127.db2.gz FIPHAXHBZAKDQQ-VIFPVBQESA-N -1 3 360.830 3.034 20 0 FGADHM C[C@H](Sc1ccccc1Cl)C(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000736190451 598664128 /nfs/dbraw/zinc/66/41/28/598664128.db2.gz FIPHAXHBZAKDQQ-VIFPVBQESA-N -1 3 360.830 3.034 20 0 FGADHM Fc1ccc(CN2CCO[C@@H](c3ccc(Cl)cc3)C2)c(-c2nnn[n-]2)c1 ZINC000737651188 598683057 /nfs/dbraw/zinc/68/30/57/598683057.db2.gz URLSVKNALGSIBZ-QGZVFWFLSA-N -1 3 373.819 3.233 20 0 FGADHM Fc1ccc(CN2CCO[C@@H](c3ccc(Cl)cc3)C2)c(-c2nn[n-]n2)c1 ZINC000737651188 598683058 /nfs/dbraw/zinc/68/30/58/598683058.db2.gz URLSVKNALGSIBZ-QGZVFWFLSA-N -1 3 373.819 3.233 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N[C@H](c1ccccc1)c1cccnc1 ZINC000738152383 598700263 /nfs/dbraw/zinc/70/02/63/598700263.db2.gz XKIQODAXTXMJGV-GOSISDBHSA-N -1 3 371.404 3.173 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N[C@H](c1ccccc1)c1cccnc1 ZINC000738152383 598700265 /nfs/dbraw/zinc/70/02/65/598700265.db2.gz XKIQODAXTXMJGV-GOSISDBHSA-N -1 3 371.404 3.173 20 0 FGADHM Cc1cccc(OCCC(=O)OCc2ccc(F)cc2-c2nnn[n-]2)c1C ZINC000737401256 598706267 /nfs/dbraw/zinc/70/62/67/598706267.db2.gz LXZNXUJHDJQKKX-UHFFFAOYSA-N -1 3 370.384 3.135 20 0 FGADHM Cc1cccc(OCCC(=O)OCc2ccc(F)cc2-c2nn[n-]n2)c1C ZINC000737401256 598706268 /nfs/dbraw/zinc/70/62/68/598706268.db2.gz LXZNXUJHDJQKKX-UHFFFAOYSA-N -1 3 370.384 3.135 20 0 FGADHM O=C(OCc1ccno1)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000738235714 598712543 /nfs/dbraw/zinc/71/25/43/598712543.db2.gz VQFANSAJFUHKGF-UHFFFAOYSA-N -1 3 363.333 3.004 20 0 FGADHM O=C(OCc1ccno1)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738235714 598712544 /nfs/dbraw/zinc/71/25/44/598712544.db2.gz VQFANSAJFUHKGF-UHFFFAOYSA-N -1 3 363.333 3.004 20 0 FGADHM C[C@@H](CSc1ccccc1)C(=O)OCc1ccccc1-c1nnn[n-]1 ZINC000736047007 598724510 /nfs/dbraw/zinc/72/45/10/598724510.db2.gz OMUJXIOCJZWFIM-ZDUSSCGKSA-N -1 3 354.435 3.338 20 0 FGADHM C[C@@H](CSc1ccccc1)C(=O)OCc1ccccc1-c1nn[n-]n1 ZINC000736047007 598724512 /nfs/dbraw/zinc/72/45/12/598724512.db2.gz OMUJXIOCJZWFIM-ZDUSSCGKSA-N -1 3 354.435 3.338 20 0 FGADHM O=C(OCC1CCCC1)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000738220618 598726913 /nfs/dbraw/zinc/72/69/13/598726913.db2.gz RNYSKCJMAHVWCW-UHFFFAOYSA-N -1 3 365.393 3.401 20 0 FGADHM O=C(OCC1CCCC1)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000738220618 598726915 /nfs/dbraw/zinc/72/69/15/598726915.db2.gz RNYSKCJMAHVWCW-UHFFFAOYSA-N -1 3 365.393 3.401 20 0 FGADHM CC(C)[C@H]1CCCC[C@@H]1NC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000735749045 598727077 /nfs/dbraw/zinc/72/70/77/598727077.db2.gz LJHFJZJSEDWBID-SJORKVTESA-N -1 3 356.474 3.223 20 0 FGADHM CC(C)[C@H]1CCCC[C@@H]1NC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000735749045 598727079 /nfs/dbraw/zinc/72/70/79/598727079.db2.gz LJHFJZJSEDWBID-SJORKVTESA-N -1 3 356.474 3.223 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N(CC1CC1)C1CCCCC1 ZINC000737057143 598729524 /nfs/dbraw/zinc/72/95/24/598729524.db2.gz HAIGDYWVEVYLNT-UHFFFAOYSA-N -1 3 370.457 3.452 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N(CC1CC1)C1CCCCC1 ZINC000737057143 598729525 /nfs/dbraw/zinc/72/95/25/598729525.db2.gz HAIGDYWVEVYLNT-UHFFFAOYSA-N -1 3 370.457 3.452 20 0 FGADHM C[C@H]1Cc2ccccc2[C@H]1NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736295919 598730670 /nfs/dbraw/zinc/73/06/70/598730670.db2.gz BWBMXWMSEABONO-QFYYESIMSA-N -1 3 352.373 3.061 20 0 FGADHM C[C@H]1Cc2ccccc2[C@H]1NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736295919 598730671 /nfs/dbraw/zinc/73/06/71/598730671.db2.gz BWBMXWMSEABONO-QFYYESIMSA-N -1 3 352.373 3.061 20 0 FGADHM C[C@H](NC(=O)c1cnc(-c2ccco2)s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736123806 598735789 /nfs/dbraw/zinc/73/57/89/598735789.db2.gz DPBUHFZGYAIRBM-JTQLQIEISA-N -1 3 366.406 3.074 20 0 FGADHM C[C@H](NC(=O)c1cnc(-c2ccco2)s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736123806 598735791 /nfs/dbraw/zinc/73/57/91/598735791.db2.gz DPBUHFZGYAIRBM-JTQLQIEISA-N -1 3 366.406 3.074 20 0 FGADHM C[C@@H](CCCOCc1ccccc1)OC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000735984044 598739690 /nfs/dbraw/zinc/73/96/90/598739690.db2.gz BBZZVNHWBICCKE-HNNXBMFYSA-N -1 3 366.421 3.409 20 0 FGADHM C[C@@H](CCCOCc1ccccc1)OC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000735984044 598739692 /nfs/dbraw/zinc/73/96/92/598739692.db2.gz BBZZVNHWBICCKE-HNNXBMFYSA-N -1 3 366.421 3.409 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H](C)Cc1ccccc1 ZINC000736480017 598741796 /nfs/dbraw/zinc/74/17/96/598741796.db2.gz PFNRKBXZWSWZLW-INIZCTEOSA-N -1 3 363.465 3.484 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@H](C)Cc1ccccc1 ZINC000736480017 598741797 /nfs/dbraw/zinc/74/17/97/598741797.db2.gz PFNRKBXZWSWZLW-INIZCTEOSA-N -1 3 363.465 3.484 20 0 FGADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OC[C@@H](C)C(F)(F)F ZINC000824207081 607366119 /nfs/dbraw/zinc/36/61/19/607366119.db2.gz PHGHYCLIWLYMBJ-ZWNOBZJWSA-N -1 3 372.347 3.012 20 0 FGADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)OC[C@@H](C)C(F)(F)F ZINC000824207081 607366121 /nfs/dbraw/zinc/36/61/21/607366121.db2.gz PHGHYCLIWLYMBJ-ZWNOBZJWSA-N -1 3 372.347 3.012 20 0 FGADHM Cc1ccccc1[C@H](NC(=O)COc1ccccc1-c1nnn[n-]1)C(C)C ZINC000737419194 598755101 /nfs/dbraw/zinc/75/51/01/598755101.db2.gz DSFKMCVGCUIKDU-LJQANCHMSA-N -1 3 365.437 3.067 20 0 FGADHM Cc1ccccc1[C@H](NC(=O)COc1ccccc1-c1nn[n-]n1)C(C)C ZINC000737419194 598755102 /nfs/dbraw/zinc/75/51/02/598755102.db2.gz DSFKMCVGCUIKDU-LJQANCHMSA-N -1 3 365.437 3.067 20 0 FGADHM COc1cccc(CNc2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)c1 ZINC000737131915 598770523 /nfs/dbraw/zinc/77/05/23/598770523.db2.gz IFQSMIHPKYMHBH-UHFFFAOYSA-N -1 3 368.347 3.314 20 0 FGADHM COc1cccc(CNc2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)c1 ZINC000737131915 598770525 /nfs/dbraw/zinc/77/05/25/598770525.db2.gz IFQSMIHPKYMHBH-UHFFFAOYSA-N -1 3 368.347 3.314 20 0 FGADHM Fc1ccc(CNc2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)cc1 ZINC000737647384 598771454 /nfs/dbraw/zinc/77/14/54/598771454.db2.gz CYKYSIWANKRXPW-UHFFFAOYSA-N -1 3 356.311 3.444 20 0 FGADHM Fc1ccc(CNc2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)cc1 ZINC000737647384 598771455 /nfs/dbraw/zinc/77/14/55/598771455.db2.gz CYKYSIWANKRXPW-UHFFFAOYSA-N -1 3 356.311 3.444 20 0 FGADHM Fc1ccc(-c2nnn[n-]2)cc1CN1CCc2ccc(Br)cc21 ZINC000737648177 598777200 /nfs/dbraw/zinc/77/72/00/598777200.db2.gz HXJGNGWOOJKWEA-UHFFFAOYSA-N -1 3 374.217 3.331 20 0 FGADHM Fc1ccc(-c2nn[n-]n2)cc1CN1CCc2ccc(Br)cc21 ZINC000737648177 598777201 /nfs/dbraw/zinc/77/72/01/598777201.db2.gz HXJGNGWOOJKWEA-UHFFFAOYSA-N -1 3 374.217 3.331 20 0 FGADHM CC[C@H](CC(=O)OCCOc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000736332350 598780246 /nfs/dbraw/zinc/78/02/46/598780246.db2.gz MHGPHSVBKBZSRZ-OAHLLOKOSA-N -1 3 366.421 3.373 20 0 FGADHM CC[C@H](CC(=O)OCCOc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000736332350 598780247 /nfs/dbraw/zinc/78/02/47/598780247.db2.gz MHGPHSVBKBZSRZ-OAHLLOKOSA-N -1 3 366.421 3.373 20 0 FGADHM CC(C)[C@H]1CCC[C@@H](NC(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736113542 598781364 /nfs/dbraw/zinc/78/13/64/598781364.db2.gz PLCWHSHIVWDKNP-RRQGHBQHSA-N -1 3 356.474 3.442 20 0 FGADHM CC(C)[C@H]1CCC[C@@H](NC(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736113542 598781365 /nfs/dbraw/zinc/78/13/65/598781365.db2.gz PLCWHSHIVWDKNP-RRQGHBQHSA-N -1 3 356.474 3.442 20 0 FGADHM CC(C)CN(C(=O)CO[C@@H]1CCC[C@@H](C)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000735819496 598789771 /nfs/dbraw/zinc/78/97/71/598789771.db2.gz WRUXYMPSDGHJAK-CRAIPNDOSA-N -1 3 371.485 3.451 20 0 FGADHM CC(C)CN(C(=O)CO[C@@H]1CCC[C@@H](C)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000735819496 598789772 /nfs/dbraw/zinc/78/97/72/598789772.db2.gz WRUXYMPSDGHJAK-CRAIPNDOSA-N -1 3 371.485 3.451 20 0 FGADHM CCOC(=O)N[C@H](CNc1ccc(Cl)cc1-c1nn[n-]n1)CC(C)C ZINC000736599696 598793046 /nfs/dbraw/zinc/79/30/46/598793046.db2.gz CZSWDNZOUTZXGS-LBPRGKRZSA-N -1 3 366.853 3.093 20 0 FGADHM CCOC(=O)N[C@H](CNc1ccc(Cl)cc1-c1nnn[n-]1)CC(C)C ZINC000736599696 598793044 /nfs/dbraw/zinc/79/30/44/598793044.db2.gz CZSWDNZOUTZXGS-LBPRGKRZSA-N -1 3 366.853 3.093 20 0 FGADHM COCCOc1cccc(CNc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000737013618 598793069 /nfs/dbraw/zinc/79/30/69/598793069.db2.gz BJHTWNKRKITNDL-UHFFFAOYSA-N -1 3 359.817 3.157 20 0 FGADHM COCCOc1cccc(CNc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000737013618 598793071 /nfs/dbraw/zinc/79/30/71/598793071.db2.gz BJHTWNKRKITNDL-UHFFFAOYSA-N -1 3 359.817 3.157 20 0 FGADHM O[C@H](CNc1ccc(Cl)cc1-c1nnn[n-]1)c1cccc(Cl)c1 ZINC000738380976 598793740 /nfs/dbraw/zinc/79/37/40/598793740.db2.gz FEVDZWFNHOIATL-CQSZACIVSA-N -1 3 350.209 3.319 20 0 FGADHM O[C@H](CNc1ccc(Cl)cc1-c1nn[n-]n1)c1cccc(Cl)c1 ZINC000738380976 598793742 /nfs/dbraw/zinc/79/37/42/598793742.db2.gz FEVDZWFNHOIATL-CQSZACIVSA-N -1 3 350.209 3.319 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OCCCOc1c(C)cccc1C ZINC000737034014 598795788 /nfs/dbraw/zinc/79/57/88/598795788.db2.gz VPLXTZXPTIVIKO-UHFFFAOYSA-N -1 3 354.410 3.340 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OCCCOc1c(C)cccc1C ZINC000737034014 598795789 /nfs/dbraw/zinc/79/57/89/598795789.db2.gz VPLXTZXPTIVIKO-UHFFFAOYSA-N -1 3 354.410 3.340 20 0 FGADHM Cc1cccc(C)c1OCCCOC(=O)c1sccc1-c1nnn[n-]1 ZINC000737387922 598800777 /nfs/dbraw/zinc/80/07/77/598800777.db2.gz BSFSOOONTCHSNT-UHFFFAOYSA-N -1 3 358.423 3.171 20 0 FGADHM Cc1c2cc(Cl)ccc2oc1C(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000737215029 598804571 /nfs/dbraw/zinc/80/45/71/598804571.db2.gz UVQMCKVGIPSMRR-UHFFFAOYSA-N -1 3 354.757 3.222 20 0 FGADHM Cc1c2cc(Cl)ccc2oc1C(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000737215029 598804572 /nfs/dbraw/zinc/80/45/72/598804572.db2.gz UVQMCKVGIPSMRR-UHFFFAOYSA-N -1 3 354.757 3.222 20 0 FGADHM Fc1cccc(N(Cc2ccccc2)CC2CCOCC2)c1-c1nnn[n-]1 ZINC000737659447 598817050 /nfs/dbraw/zinc/81/70/50/598817050.db2.gz DFTIETSKPOMGDW-UHFFFAOYSA-N -1 3 367.428 3.439 20 0 FGADHM Fc1cccc(N(Cc2ccccc2)CC2CCOCC2)c1-c1nn[n-]n1 ZINC000737659447 598817052 /nfs/dbraw/zinc/81/70/52/598817052.db2.gz DFTIETSKPOMGDW-UHFFFAOYSA-N -1 3 367.428 3.439 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1CSCCOc1ccccc1F ZINC000821749825 607367494 /nfs/dbraw/zinc/36/74/94/607367494.db2.gz ZMDVYJQIRWJJEU-UHFFFAOYSA-N -1 3 360.414 3.327 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1CSCCOc1ccccc1F ZINC000821749825 607367495 /nfs/dbraw/zinc/36/74/95/607367495.db2.gz ZMDVYJQIRWJJEU-UHFFFAOYSA-N -1 3 360.414 3.327 20 0 FGADHM CC(C)NC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000820137299 599296537 /nfs/dbraw/zinc/29/65/37/599296537.db2.gz IOWDEDHZWWOQML-UHFFFAOYSA-N -1 3 356.361 3.328 20 0 FGADHM CC(C)NC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000820137299 599296540 /nfs/dbraw/zinc/29/65/40/599296540.db2.gz IOWDEDHZWWOQML-UHFFFAOYSA-N -1 3 356.361 3.328 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1CSC[C@H]1OCCc2ccccc21 ZINC000821749781 607367789 /nfs/dbraw/zinc/36/77/89/607367789.db2.gz XUIAYRZOLFMEMJ-GOSISDBHSA-N -1 3 368.462 3.423 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1CSC[C@H]1OCCc2ccccc21 ZINC000821749781 607367792 /nfs/dbraw/zinc/36/77/92/607367792.db2.gz XUIAYRZOLFMEMJ-GOSISDBHSA-N -1 3 368.462 3.423 20 0 FGADHM CN(C(=O)c1csc(-c2cccs2)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736741443 599305130 /nfs/dbraw/zinc/30/51/30/599305130.db2.gz PRHUDLYSPOPICC-UHFFFAOYSA-N -1 3 368.447 3.328 20 0 FGADHM CN(C(=O)c1csc(-c2cccs2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736741443 599305132 /nfs/dbraw/zinc/30/51/32/599305132.db2.gz PRHUDLYSPOPICC-UHFFFAOYSA-N -1 3 368.447 3.328 20 0 FGADHM c1ccc(-c2nnn[n-]2)c(CSCCNc2ncnc3ccccc32)c1 ZINC000823773281 599312343 /nfs/dbraw/zinc/31/23/43/599312343.db2.gz TWSBEFKUTYQFCS-UHFFFAOYSA-N -1 3 363.450 3.155 20 0 FGADHM c1ccc(-c2nn[n-]n2)c(CSCCNc2ncnc3ccccc32)c1 ZINC000823773281 599312345 /nfs/dbraw/zinc/31/23/45/599312345.db2.gz TWSBEFKUTYQFCS-UHFFFAOYSA-N -1 3 363.450 3.155 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000823332268 599321305 /nfs/dbraw/zinc/32/13/05/599321305.db2.gz MJSPYPDVLUDZDT-OXJNMPFZSA-N -1 3 363.396 3.239 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000823332268 599321308 /nfs/dbraw/zinc/32/13/08/599321308.db2.gz MJSPYPDVLUDZDT-OXJNMPFZSA-N -1 3 363.396 3.239 20 0 FGADHM C[C@@H](S[C@H]1CCN(c2ccccc2)C1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736188037 599327569 /nfs/dbraw/zinc/32/75/69/599327569.db2.gz HILJKYVMUVPMBW-DYVFJYSZSA-N -1 3 365.462 3.466 20 0 FGADHM C[C@@H](S[C@H]1CCN(c2ccccc2)C1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736188037 599327571 /nfs/dbraw/zinc/32/75/71/599327571.db2.gz HILJKYVMUVPMBW-DYVFJYSZSA-N -1 3 365.462 3.466 20 0 FGADHM COc1ccc(NC(=O)CS[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737100933 599329633 /nfs/dbraw/zinc/32/96/33/599329633.db2.gz ACWOSWACWIORKO-LBPRGKRZSA-N -1 3 369.450 3.308 20 0 FGADHM COc1ccc(NC(=O)CS[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737100933 599329635 /nfs/dbraw/zinc/32/96/35/599329635.db2.gz ACWOSWACWIORKO-LBPRGKRZSA-N -1 3 369.450 3.308 20 0 FGADHM COc1ccccc1NC(=O)CS[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737152070 599331627 /nfs/dbraw/zinc/33/16/27/599331627.db2.gz MPBMEQLKKOHAMA-LBPRGKRZSA-N -1 3 369.450 3.308 20 0 FGADHM COc1ccccc1NC(=O)CS[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737152070 599331630 /nfs/dbraw/zinc/33/16/30/599331630.db2.gz MPBMEQLKKOHAMA-LBPRGKRZSA-N -1 3 369.450 3.308 20 0 FGADHM Brc1ccc(NCCOc2ccccc2)c(-c2nn[n-]n2)c1 ZINC000735367974 599361065 /nfs/dbraw/zinc/36/10/65/599361065.db2.gz COAVQBKMZGPUMX-UHFFFAOYSA-N -1 3 360.215 3.120 20 0 FGADHM Brc1ccc(NCCOc2ccccc2)c(-c2nnn[n-]2)c1 ZINC000735367974 599361062 /nfs/dbraw/zinc/36/10/62/599361062.db2.gz COAVQBKMZGPUMX-UHFFFAOYSA-N -1 3 360.215 3.120 20 0 FGADHM Cc1cccc(Cl)c1OC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000737397520 599375145 /nfs/dbraw/zinc/37/51/45/599375145.db2.gz XCUCZMDVPHDDLW-LLVKDONJSA-N -1 3 358.785 3.201 20 0 FGADHM Cc1cccc(Cl)c1OC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000737397520 599375148 /nfs/dbraw/zinc/37/51/48/599375148.db2.gz XCUCZMDVPHDDLW-LLVKDONJSA-N -1 3 358.785 3.201 20 0 FGADHM CO[C@@H](C)c1nc(CNc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)cs1 ZINC000821675794 607372818 /nfs/dbraw/zinc/37/28/18/607372818.db2.gz TZEVCAHBRRBSGN-NSHDSACASA-N -1 3 374.470 3.430 20 0 FGADHM CO[C@@H](C)c1nc(CNc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)cs1 ZINC000821675794 607372820 /nfs/dbraw/zinc/37/28/20/607372820.db2.gz TZEVCAHBRRBSGN-NSHDSACASA-N -1 3 374.470 3.430 20 0 FGADHM O=C(Nc1cccc(CNCc2ccc(-c3nnn[n-]3)o2)c1)c1ccccc1 ZINC000823363823 599405377 /nfs/dbraw/zinc/40/53/77/599405377.db2.gz OXYGASOYXIXYJK-UHFFFAOYSA-N -1 3 374.404 3.002 20 0 FGADHM O=C(Nc1cccc(CNCc2ccc(-c3nn[n-]n3)o2)c1)c1ccccc1 ZINC000823363823 599405379 /nfs/dbraw/zinc/40/53/79/599405379.db2.gz OXYGASOYXIXYJK-UHFFFAOYSA-N -1 3 374.404 3.002 20 0 FGADHM CCOC(=O)N[C@H](CNc1cc(Cl)ccc1-c1nnn[n-]1)CC(C)C ZINC000736601474 599406015 /nfs/dbraw/zinc/40/60/15/599406015.db2.gz YNIDOQBHYHSSAM-LBPRGKRZSA-N -1 3 366.853 3.093 20 0 FGADHM CCOC(=O)N[C@H](CNc1cc(Cl)ccc1-c1nn[n-]n1)CC(C)C ZINC000736601474 599406017 /nfs/dbraw/zinc/40/60/17/599406017.db2.gz YNIDOQBHYHSSAM-LBPRGKRZSA-N -1 3 366.853 3.093 20 0 FGADHM c1cnn(-c2ccccc2CNc2cc(-c3nnn[n-]3)c3ccccc3n2)c1 ZINC000738425080 599420840 /nfs/dbraw/zinc/42/08/40/599420840.db2.gz KEWBPWRQSSGHPK-UHFFFAOYSA-N -1 3 368.404 3.213 20 0 FGADHM c1cnn(-c2ccccc2CNc2cc(-c3nn[n-]n3)c3ccccc3n2)c1 ZINC000738425080 599420841 /nfs/dbraw/zinc/42/08/41/599420841.db2.gz KEWBPWRQSSGHPK-UHFFFAOYSA-N -1 3 368.404 3.213 20 0 FGADHM COc1cccc2c1OCC[C@H]2Nc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000737143126 599425467 /nfs/dbraw/zinc/42/54/67/599425467.db2.gz PFELOYZGSOMDRO-MRXNPFEDSA-N -1 3 374.404 3.359 20 0 FGADHM COc1cccc2c1OCC[C@H]2Nc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000737143126 599425471 /nfs/dbraw/zinc/42/54/71/599425471.db2.gz PFELOYZGSOMDRO-MRXNPFEDSA-N -1 3 374.404 3.359 20 0 FGADHM CC[C@@H](Cc1ccccc1)NC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820913030 599433250 /nfs/dbraw/zinc/43/32/50/599433250.db2.gz BYTNDXAJMLTCBD-KDOFPFPSSA-N -1 3 364.453 3.248 20 0 FGADHM CC[C@@H](Cc1ccccc1)NC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820913030 599433252 /nfs/dbraw/zinc/43/32/52/599433252.db2.gz BYTNDXAJMLTCBD-KDOFPFPSSA-N -1 3 364.453 3.248 20 0 FGADHM COCc1cc(CNc2cc(-c3nnn[n-]3)c3ccccc3n2)ccc1F ZINC000737017191 599433682 /nfs/dbraw/zinc/43/36/82/599433682.db2.gz SJQNPSVKQLQGSD-UHFFFAOYSA-N -1 3 364.384 3.313 20 0 FGADHM COCc1cc(CNc2cc(-c3nn[n-]n3)c3ccccc3n2)ccc1F ZINC000737017191 599433683 /nfs/dbraw/zinc/43/36/83/599433683.db2.gz SJQNPSVKQLQGSD-UHFFFAOYSA-N -1 3 364.384 3.313 20 0 FGADHM c1cc(-c2nnn[n-]2)oc1CN[C@H](COc1ccccc1)c1ccccc1 ZINC000823791329 599435099 /nfs/dbraw/zinc/43/50/99/599435099.db2.gz BLMPCMHYQOZQJL-GOSISDBHSA-N -1 3 361.405 3.370 20 0 FGADHM c1cc(-c2nn[n-]n2)oc1CN[C@H](COc1ccccc1)c1ccccc1 ZINC000823791329 599435100 /nfs/dbraw/zinc/43/51/00/599435100.db2.gz BLMPCMHYQOZQJL-GOSISDBHSA-N -1 3 361.405 3.370 20 0 FGADHM Cc1ccc(/C=C/CC(=O)OCC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826285547 607378154 /nfs/dbraw/zinc/37/81/54/607378154.db2.gz CGJWTNNMFZFQSL-DUXPYHPUSA-N -1 3 362.389 3.005 20 0 FGADHM Cc1ccc(/C=C/CC(=O)OCC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826285547 607378156 /nfs/dbraw/zinc/37/81/56/607378156.db2.gz CGJWTNNMFZFQSL-DUXPYHPUSA-N -1 3 362.389 3.005 20 0 FGADHM CCC[C@H](NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccn1 ZINC000821023008 599436353 /nfs/dbraw/zinc/43/63/53/599436353.db2.gz VEBSJSIRRCWMNJ-GUYCJALGSA-N -1 3 365.441 3.163 20 0 FGADHM CCC[C@H](NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccn1 ZINC000821023008 599436356 /nfs/dbraw/zinc/43/63/56/599436356.db2.gz VEBSJSIRRCWMNJ-GUYCJALGSA-N -1 3 365.441 3.163 20 0 FGADHM C[C@H](NC(=O)N[C@H]1c2ccccc2C[C@@H]1C)c1cccc(-c2nnn[n-]2)c1 ZINC000820359603 599438250 /nfs/dbraw/zinc/43/82/50/599438250.db2.gz TVYLOPQGIUXPSB-ZJNRKIDTSA-N -1 3 362.437 3.160 20 0 FGADHM C[C@H](NC(=O)N[C@H]1c2ccccc2C[C@@H]1C)c1cccc(-c2nn[n-]n2)c1 ZINC000820359603 599438254 /nfs/dbraw/zinc/43/82/54/599438254.db2.gz TVYLOPQGIUXPSB-ZJNRKIDTSA-N -1 3 362.437 3.160 20 0 FGADHM CN(Cc1ccc(Cl)cc1)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000821609973 599458861 /nfs/dbraw/zinc/45/88/61/599458861.db2.gz UFGJTWGZYYMZRY-UHFFFAOYSA-N -1 3 374.807 3.001 20 0 FGADHM CN(Cc1ccc(Cl)cc1)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000821609973 599458862 /nfs/dbraw/zinc/45/88/62/599458862.db2.gz UFGJTWGZYYMZRY-UHFFFAOYSA-N -1 3 374.807 3.001 20 0 FGADHM Clc1ccc2oc(C=Cc3cnc4ccc(-c5nnn[n-]5)cn34)nc2c1 ZINC000737573931 599461313 /nfs/dbraw/zinc/46/13/13/599461313.db2.gz HJRDQCBBUMMYSZ-UTCJRWHESA-N -1 3 363.768 3.479 20 0 FGADHM Clc1ccc2oc(C=Cc3cnc4ccc(-c5nn[n-]n5)cn34)nc2c1 ZINC000737573931 599461314 /nfs/dbraw/zinc/46/13/14/599461314.db2.gz HJRDQCBBUMMYSZ-UTCJRWHESA-N -1 3 363.768 3.479 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H]1CC[C@H](SC)C1 ZINC000821104511 599466050 /nfs/dbraw/zinc/46/60/50/599466050.db2.gz GXNJRZQXOZMNNJ-CVEARBPZSA-N -1 3 374.514 3.072 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1CC[C@H](SC)C1 ZINC000821104511 599466052 /nfs/dbraw/zinc/46/60/52/599466052.db2.gz GXNJRZQXOZMNNJ-CVEARBPZSA-N -1 3 374.514 3.072 20 0 FGADHM CCN(Cc1ccc(C)cc1)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821222424 599471216 /nfs/dbraw/zinc/47/12/16/599471216.db2.gz RIJBMQLHEKXEEC-HNNXBMFYSA-N -1 3 364.453 3.468 20 0 FGADHM CCN(Cc1ccc(C)cc1)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821222424 599471218 /nfs/dbraw/zinc/47/12/18/599471218.db2.gz RIJBMQLHEKXEEC-HNNXBMFYSA-N -1 3 364.453 3.468 20 0 FGADHM Cc1cccc2c1CC[C@@H]2NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822340833 599485216 /nfs/dbraw/zinc/48/52/16/599485216.db2.gz JXKMQTZTYHRUPQ-UGSOOPFHSA-N -1 3 362.437 3.223 20 0 FGADHM Cc1cccc2c1CC[C@@H]2NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822340833 599485218 /nfs/dbraw/zinc/48/52/18/599485218.db2.gz JXKMQTZTYHRUPQ-UGSOOPFHSA-N -1 3 362.437 3.223 20 0 FGADHM O=C1CCCCN1c1ccc(CNc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000823530452 599491445 /nfs/dbraw/zinc/49/14/45/599491445.db2.gz KJMHDLZCJMXJJG-UHFFFAOYSA-N -1 3 366.400 3.135 20 0 FGADHM O=C1CCCCN1c1ccc(CNc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000823530452 599491447 /nfs/dbraw/zinc/49/14/47/599491447.db2.gz KJMHDLZCJMXJJG-UHFFFAOYSA-N -1 3 366.400 3.135 20 0 FGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000738178906 599493353 /nfs/dbraw/zinc/49/33/53/599493353.db2.gz NEDFAZXKCTVAJV-CQSZACIVSA-N -1 3 366.400 3.102 20 0 FGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000738178906 599493355 /nfs/dbraw/zinc/49/33/55/599493355.db2.gz NEDFAZXKCTVAJV-CQSZACIVSA-N -1 3 366.400 3.102 20 0 FGADHM Fc1ccc(N2CCC(OCCc3ccccc3)CC2)c(-c2nnn[n-]2)c1 ZINC000822779596 599501462 /nfs/dbraw/zinc/50/14/62/599501462.db2.gz YFHAFWFLIBKJND-UHFFFAOYSA-N -1 3 367.428 3.234 20 0 FGADHM Fc1ccc(N2CCC(OCCc3ccccc3)CC2)c(-c2nn[n-]n2)c1 ZINC000822779596 599501465 /nfs/dbraw/zinc/50/14/65/599501465.db2.gz YFHAFWFLIBKJND-UHFFFAOYSA-N -1 3 367.428 3.234 20 0 FGADHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2NCc1cc2ccccc2[nH]1 ZINC000822204084 599503555 /nfs/dbraw/zinc/50/35/55/599503555.db2.gz CQZHFQRHRLIPQU-UHFFFAOYSA-N -1 3 373.395 3.378 20 0 FGADHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2NCc1cc2ccccc2[nH]1 ZINC000822204084 599503556 /nfs/dbraw/zinc/50/35/56/599503556.db2.gz CQZHFQRHRLIPQU-UHFFFAOYSA-N -1 3 373.395 3.378 20 0 FGADHM C[C@H](NC(=O)C=Cc1ccccc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000820321599 599506536 /nfs/dbraw/zinc/50/65/36/599506536.db2.gz JGNFXHYIPPZKED-PRDAAYKISA-N -1 3 353.813 3.411 20 0 FGADHM C[C@H](NC(=O)C=Cc1ccccc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000820321599 599506538 /nfs/dbraw/zinc/50/65/38/599506538.db2.gz JGNFXHYIPPZKED-PRDAAYKISA-N -1 3 353.813 3.411 20 0 FGADHM C[C@H](C[C@H](O)c1ccc(F)cc1)Nc1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820233428 607381753 /nfs/dbraw/zinc/38/17/53/607381753.db2.gz KFYAIYRARMLLJH-PSLIRLAXSA-N -1 3 363.343 3.208 20 0 FGADHM C[C@H](C[C@H](O)c1ccc(F)cc1)Nc1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820233428 607381755 /nfs/dbraw/zinc/38/17/55/607381755.db2.gz KFYAIYRARMLLJH-PSLIRLAXSA-N -1 3 363.343 3.208 20 0 FGADHM CCCc1nc(C)c(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)s1 ZINC000821143104 599509658 /nfs/dbraw/zinc/50/96/58/599509658.db2.gz RAIUVFJGCVRBIK-SNVBAGLBSA-N -1 3 356.455 3.075 20 0 FGADHM CCCc1nc(C)c(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)s1 ZINC000821143104 599509659 /nfs/dbraw/zinc/50/96/59/599509659.db2.gz RAIUVFJGCVRBIK-SNVBAGLBSA-N -1 3 356.455 3.075 20 0 FGADHM C[C@@H](NC(=O)CCc1ccc(Cl)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820327602 599511550 /nfs/dbraw/zinc/51/15/50/599511550.db2.gz HROUIZLMEIZZIL-GFCCVEGCSA-N -1 3 355.829 3.330 20 0 FGADHM C[C@@H](NC(=O)CCc1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820327602 599511551 /nfs/dbraw/zinc/51/15/51/599511551.db2.gz HROUIZLMEIZZIL-GFCCVEGCSA-N -1 3 355.829 3.330 20 0 FGADHM C[C@H](NC(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820321191 599515597 /nfs/dbraw/zinc/51/55/97/599515597.db2.gz CHWMHMDPNDILKZ-LEWSCRJBSA-N -1 3 367.375 3.413 20 0 FGADHM C[C@H](NC(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820321191 599515600 /nfs/dbraw/zinc/51/56/00/599515600.db2.gz CHWMHMDPNDILKZ-LEWSCRJBSA-N -1 3 367.375 3.413 20 0 FGADHM C[C@H](Cc1ccccc1F)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820300597 599515664 /nfs/dbraw/zinc/51/56/64/599515664.db2.gz RHJHBAHDBMOSFZ-OLZOCXBDSA-N -1 3 353.401 3.062 20 0 FGADHM C[C@H](Cc1ccccc1F)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820300597 599515666 /nfs/dbraw/zinc/51/56/66/599515666.db2.gz RHJHBAHDBMOSFZ-OLZOCXBDSA-N -1 3 353.401 3.062 20 0 FGADHM C[C@H](C[C@@H](O)c1ccc(F)cc1)Nc1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820233430 607382052 /nfs/dbraw/zinc/38/20/52/607382052.db2.gz KFYAIYRARMLLJH-RFAUZJTJSA-N -1 3 363.343 3.208 20 0 FGADHM C[C@H](C[C@@H](O)c1ccc(F)cc1)Nc1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820233430 607382054 /nfs/dbraw/zinc/38/20/54/607382054.db2.gz KFYAIYRARMLLJH-RFAUZJTJSA-N -1 3 363.343 3.208 20 0 FGADHM C[C@H](COCC(F)(F)F)Nc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000736037332 599521847 /nfs/dbraw/zinc/52/18/47/599521847.db2.gz KLIWXPRXNHXACW-SSDOTTSWSA-N -1 3 369.269 3.265 20 0 FGADHM C[C@@H](NC(=O)CSc1ccc(Cl)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820334050 599522027 /nfs/dbraw/zinc/52/20/27/599522027.db2.gz JPYJMJQNSGSSFU-LLVKDONJSA-N -1 3 373.869 3.490 20 0 FGADHM C[C@@H](NC(=O)CSc1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820334050 599522030 /nfs/dbraw/zinc/52/20/30/599522030.db2.gz JPYJMJQNSGSSFU-LLVKDONJSA-N -1 3 373.869 3.490 20 0 FGADHM C[C@H](SCC(=O)NCc1cccc(-c2nnn[n-]2)c1)c1cccs1 ZINC000736191013 599524009 /nfs/dbraw/zinc/52/40/09/599524009.db2.gz VGRDTCWMSWHTHQ-NSHDSACASA-N -1 3 359.480 3.039 20 0 FGADHM C[C@H](SCC(=O)NCc1cccc(-c2nn[n-]n2)c1)c1cccs1 ZINC000736191013 599524010 /nfs/dbraw/zinc/52/40/10/599524010.db2.gz VGRDTCWMSWHTHQ-NSHDSACASA-N -1 3 359.480 3.039 20 0 FGADHM Cc1ccc(-c2cc(C(=O)N[C@@H](C)c3cccc(-c4nnn[n-]4)c3)[nH]n2)cc1 ZINC000822212691 599526618 /nfs/dbraw/zinc/52/66/18/599526618.db2.gz CHXHRSMYWBRJRK-ZDUSSCGKSA-N -1 3 373.420 3.056 20 0 FGADHM Cc1ccc(-c2cc(C(=O)N[C@@H](C)c3cccc(-c4nn[n-]n4)c3)[nH]n2)cc1 ZINC000822212691 599526620 /nfs/dbraw/zinc/52/66/20/599526620.db2.gz CHXHRSMYWBRJRK-ZDUSSCGKSA-N -1 3 373.420 3.056 20 0 FGADHM COc1ccc(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000821770454 599529591 /nfs/dbraw/zinc/52/95/91/599529591.db2.gz UKTWUYAIVSCPGE-JTQLQIEISA-N -1 3 357.801 3.020 20 0 FGADHM COc1ccc(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000821770454 599529594 /nfs/dbraw/zinc/52/95/94/599529594.db2.gz UKTWUYAIVSCPGE-JTQLQIEISA-N -1 3 357.801 3.020 20 0 FGADHM Cc1ccc2[nH]c(C(=O)N[C@@H](C)c3cccc(-c4nnn[n-]4)c3)cc2c1C ZINC000822271322 599534989 /nfs/dbraw/zinc/53/49/89/599534989.db2.gz XBODISZAHCFPAM-ZDUSSCGKSA-N -1 3 360.421 3.456 20 0 FGADHM Cc1ccc2[nH]c(C(=O)N[C@@H](C)c3cccc(-c4nn[n-]n4)c3)cc2c1C ZINC000822271322 599534990 /nfs/dbraw/zinc/53/49/90/599534990.db2.gz XBODISZAHCFPAM-ZDUSSCGKSA-N -1 3 360.421 3.456 20 0 FGADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(N2CCC3(CCCC3)CC2)n1 ZINC000737633781 599537633 /nfs/dbraw/zinc/53/76/33/599537633.db2.gz WEGRIWBOVJEXMM-UHFFFAOYSA-N -1 3 352.364 3.441 20 0 FGADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(N2CCC3(CCCC3)CC2)n1 ZINC000737633781 599537634 /nfs/dbraw/zinc/53/76/34/599537634.db2.gz WEGRIWBOVJEXMM-UHFFFAOYSA-N -1 3 352.364 3.441 20 0 FGADHM C[C@H](NC(=O)[C@H]1SCCc2sccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820322369 599540466 /nfs/dbraw/zinc/54/04/66/599540466.db2.gz ROSDAIBHNPWDOQ-BONVTDFDSA-N -1 3 371.491 3.136 20 0 FGADHM C[C@H](NC(=O)[C@H]1SCCc2sccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820322369 599540468 /nfs/dbraw/zinc/54/04/68/599540468.db2.gz ROSDAIBHNPWDOQ-BONVTDFDSA-N -1 3 371.491 3.136 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H](C)c1cccs1 ZINC000736481209 599542155 /nfs/dbraw/zinc/54/21/55/599542155.db2.gz XCFKCMNSPKUBTA-CYBMUJFWSA-N -1 3 355.467 3.471 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H](C)c1cccs1 ZINC000736481209 599542157 /nfs/dbraw/zinc/54/21/57/599542157.db2.gz XCFKCMNSPKUBTA-CYBMUJFWSA-N -1 3 355.467 3.471 20 0 FGADHM CC[C@@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccc(F)cc1F ZINC000736353346 599549869 /nfs/dbraw/zinc/54/98/69/599549869.db2.gz ARFQGPZAXBKLEG-PYUISTEWSA-N -1 3 369.375 3.426 20 0 FGADHM CC[C@@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC000736353346 599549871 /nfs/dbraw/zinc/54/98/71/599549871.db2.gz ARFQGPZAXBKLEG-PYUISTEWSA-N -1 3 369.375 3.426 20 0 FGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@@H]2CCC[C@H]21 ZINC000819975983 599552279 /nfs/dbraw/zinc/55/22/79/599552279.db2.gz GXWGWIVKRLYXNM-GXTWGEPZSA-N -1 3 357.462 3.220 20 0 FGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@@H]2CCC[C@H]21 ZINC000819975983 599552280 /nfs/dbraw/zinc/55/22/80/599552280.db2.gz GXWGWIVKRLYXNM-GXTWGEPZSA-N -1 3 357.462 3.220 20 0 FGADHM c1ccc(CN(Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)C2CC2)cc1 ZINC000823779514 599560062 /nfs/dbraw/zinc/56/00/62/599560062.db2.gz FINYNFVDKXIGHU-UHFFFAOYSA-N -1 3 373.420 3.081 20 0 FGADHM c1ccc(CN(Cc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)C2CC2)cc1 ZINC000823779514 599560064 /nfs/dbraw/zinc/56/00/64/599560064.db2.gz FINYNFVDKXIGHU-UHFFFAOYSA-N -1 3 373.420 3.081 20 0 FGADHM CS[C@H]1CCC[C@@H](Nc2c(-c3nnn[n-]3)cnc3c(C)cc(F)cc32)C1 ZINC000821950728 599561847 /nfs/dbraw/zinc/56/18/47/599561847.db2.gz QBCPXQWAPZIKCE-OLZOCXBDSA-N -1 3 372.473 3.370 20 0 FGADHM CS[C@H]1CCC[C@@H](Nc2c(-c3nn[n-]n3)cnc3c(C)cc(F)cc32)C1 ZINC000821950728 599561850 /nfs/dbraw/zinc/56/18/50/599561850.db2.gz QBCPXQWAPZIKCE-OLZOCXBDSA-N -1 3 372.473 3.370 20 0 FGADHM O[C@@H](CNc1ccc(F)cc1-c1nnn[n-]1)c1cc(Cl)cc(Cl)c1 ZINC000823689174 599563255 /nfs/dbraw/zinc/56/32/55/599563255.db2.gz CJMWXXYKAPURMZ-AWEZNQCLSA-N -1 3 368.199 3.458 20 0 FGADHM O[C@@H](CNc1ccc(F)cc1-c1nn[n-]n1)c1cc(Cl)cc(Cl)c1 ZINC000823689174 599563257 /nfs/dbraw/zinc/56/32/57/599563257.db2.gz CJMWXXYKAPURMZ-AWEZNQCLSA-N -1 3 368.199 3.458 20 0 FGADHM Fc1cc(F)c2ncc(-c3nnn[n-]3)c(NCCCc3ccccn3)c2c1 ZINC000822753043 607384093 /nfs/dbraw/zinc/38/40/93/607384093.db2.gz AHDVXGVLDLBMOA-UHFFFAOYSA-N -1 3 367.363 3.133 20 0 FGADHM Fc1cc(F)c2ncc(-c3nn[n-]n3)c(NCCCc3ccccn3)c2c1 ZINC000822753043 607384095 /nfs/dbraw/zinc/38/40/95/607384095.db2.gz AHDVXGVLDLBMOA-UHFFFAOYSA-N -1 3 367.363 3.133 20 0 FGADHM Cc1cccc(N(C)Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)c1C ZINC000822309001 599565399 /nfs/dbraw/zinc/56/53/99/599565399.db2.gz LYJTVPDSKMWZDB-UHFFFAOYSA-N -1 3 361.409 3.170 20 0 FGADHM Cc1cccc(N(C)Cc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)c1C ZINC000822309001 599565401 /nfs/dbraw/zinc/56/54/01/599565401.db2.gz LYJTVPDSKMWZDB-UHFFFAOYSA-N -1 3 361.409 3.170 20 0 FGADHM CSC[C@H](C)NC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737176325 599569988 /nfs/dbraw/zinc/56/99/88/599569988.db2.gz MOKOREFVCBNEHI-LBPRGKRZSA-N -1 3 368.466 3.092 20 0 FGADHM C[C@H]1c2ccccc2CCN1Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000820827748 599573746 /nfs/dbraw/zinc/57/37/46/599573746.db2.gz WMXVWTSAGGYPFY-ZDUSSCGKSA-N -1 3 373.420 3.036 20 0 FGADHM C[C@H]1c2ccccc2CCN1Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000820827748 599573748 /nfs/dbraw/zinc/57/37/48/599573748.db2.gz WMXVWTSAGGYPFY-ZDUSSCGKSA-N -1 3 373.420 3.036 20 0 FGADHM CC[C@H](NC(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1F ZINC000736360990 599600103 /nfs/dbraw/zinc/60/01/03/599600103.db2.gz FEKXXFWSMXVWMI-HNNXBMFYSA-N -1 3 358.352 3.418 20 0 FGADHM CC[C@H](NC(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1F ZINC000736360990 599600105 /nfs/dbraw/zinc/60/01/05/599600105.db2.gz FEKXXFWSMXVWMI-HNNXBMFYSA-N -1 3 358.352 3.418 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC2(CCCC2)CC1 ZINC000736635838 599610227 /nfs/dbraw/zinc/61/02/27/599610227.db2.gz HLLKWNQQDYNZPZ-UHFFFAOYSA-N -1 3 370.457 3.454 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC2(CCCC2)CC1 ZINC000736635838 599610229 /nfs/dbraw/zinc/61/02/29/599610229.db2.gz HLLKWNQQDYNZPZ-UHFFFAOYSA-N -1 3 370.457 3.454 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCc2cc(F)ccc2[C@@H]1C ZINC000737291775 599610746 /nfs/dbraw/zinc/61/07/46/599610746.db2.gz PLVHCMYNIIHGGY-LBPRGKRZSA-N -1 3 366.400 3.465 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCc2cc(F)ccc2[C@@H]1C ZINC000737291775 599610747 /nfs/dbraw/zinc/61/07/47/599610747.db2.gz PLVHCMYNIIHGGY-LBPRGKRZSA-N -1 3 366.400 3.465 20 0 FGADHM CC(C)(NC(=O)NCc1cccc(-c2nnn[n-]2)c1)c1cccc(Cl)c1 ZINC000735671786 599611488 /nfs/dbraw/zinc/61/14/88/599611488.db2.gz ITMPSNOIJNSJRS-UHFFFAOYSA-N -1 3 370.844 3.255 20 0 FGADHM CC(C)(NC(=O)NCc1cccc(-c2nn[n-]n2)c1)c1cccc(Cl)c1 ZINC000735671786 599611490 /nfs/dbraw/zinc/61/14/90/599611490.db2.gz ITMPSNOIJNSJRS-UHFFFAOYSA-N -1 3 370.844 3.255 20 0 FGADHM CCO[C@H](C)c1ncc(C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)s1 ZINC000821346216 599621697 /nfs/dbraw/zinc/62/16/97/599621697.db2.gz DUFMRPUPJRYWTL-WDEREUQCSA-N -1 3 373.438 3.339 20 0 FGADHM CCO[C@H](C)c1ncc(C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)s1 ZINC000821346216 599621698 /nfs/dbraw/zinc/62/16/98/599621698.db2.gz DUFMRPUPJRYWTL-WDEREUQCSA-N -1 3 373.438 3.339 20 0 FGADHM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)OCc1cccc(-c2nnn[n-]2)c1 ZINC000820939034 599623024 /nfs/dbraw/zinc/62/30/24/599623024.db2.gz PBHTXPGLAMTWPQ-XKQJLSEDSA-N -1 3 358.442 3.284 20 0 FGADHM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)OCc1cccc(-c2nn[n-]n2)c1 ZINC000820939034 599623025 /nfs/dbraw/zinc/62/30/25/599623025.db2.gz PBHTXPGLAMTWPQ-XKQJLSEDSA-N -1 3 358.442 3.284 20 0 FGADHM CC[C@@H](Cc1ccc(C)cc1)OC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000820914546 599625823 /nfs/dbraw/zinc/62/58/23/599625823.db2.gz OVJZIHZXODEEPR-KRWDZBQOSA-N -1 3 366.421 3.118 20 0 FGADHM CCO[C@H]1C[C@@H](OC(=O)c2cccc(-c3nnn[n-]3)c2)C12CCCCC2 ZINC000821367236 599626106 /nfs/dbraw/zinc/62/61/06/599626106.db2.gz DGFLABZFOKBSPX-JKSUJKDBSA-N -1 3 356.426 3.151 20 0 FGADHM CCO[C@H]1C[C@@H](OC(=O)c2cccc(-c3nn[n-]n3)c2)C12CCCCC2 ZINC000821367236 599626107 /nfs/dbraw/zinc/62/61/07/599626107.db2.gz DGFLABZFOKBSPX-JKSUJKDBSA-N -1 3 356.426 3.151 20 0 FGADHM O=C(OCCC1CC1)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000823401366 599627536 /nfs/dbraw/zinc/62/75/36/599627536.db2.gz USAZGTKOADGUFY-UHFFFAOYSA-N -1 3 351.366 3.011 20 0 FGADHM O=C(OCCC1CC1)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000823401366 599627537 /nfs/dbraw/zinc/62/75/37/599627537.db2.gz USAZGTKOADGUFY-UHFFFAOYSA-N -1 3 351.366 3.011 20 0 FGADHM O=C(Nc1sccc1-c1nnn[n-]1)[C@H]1C[C@]12CCCc1ccccc12 ZINC000823387438 599630035 /nfs/dbraw/zinc/63/00/35/599630035.db2.gz JYIYXEHZCCETCV-KDOFPFPSSA-N -1 3 351.435 3.161 20 0 FGADHM O=C(Nc1sccc1-c1nn[n-]n1)[C@H]1C[C@]12CCCc1ccccc12 ZINC000823387438 599630036 /nfs/dbraw/zinc/63/00/36/599630036.db2.gz JYIYXEHZCCETCV-KDOFPFPSSA-N -1 3 351.435 3.161 20 0 FGADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)[C@H]2Cc3cc(C)c(C)cc3O2)s1 ZINC000821465063 599630490 /nfs/dbraw/zinc/63/04/90/599630490.db2.gz APQLQENBBWMXKU-OAHLLOKOSA-N -1 3 369.450 3.050 20 0 FGADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)[C@H]2Cc3cc(C)c(C)cc3O2)s1 ZINC000821465063 599630491 /nfs/dbraw/zinc/63/04/91/599630491.db2.gz APQLQENBBWMXKU-OAHLLOKOSA-N -1 3 369.450 3.050 20 0 FGADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)[C@@H]2Cc3cc(C)c(C)cc3O2)s1 ZINC000821465060 599630628 /nfs/dbraw/zinc/63/06/28/599630628.db2.gz APQLQENBBWMXKU-HNNXBMFYSA-N -1 3 369.450 3.050 20 0 FGADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)[C@@H]2Cc3cc(C)c(C)cc3O2)s1 ZINC000821465060 599630629 /nfs/dbraw/zinc/63/06/29/599630629.db2.gz APQLQENBBWMXKU-HNNXBMFYSA-N -1 3 369.450 3.050 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccc(Cl)o1 ZINC000823303036 599632457 /nfs/dbraw/zinc/63/24/57/599632457.db2.gz CEZUKRZUUJDYFY-UHFFFAOYSA-N -1 3 357.679 3.384 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccc(Cl)o1 ZINC000823303036 599632458 /nfs/dbraw/zinc/63/24/58/599632458.db2.gz CEZUKRZUUJDYFY-UHFFFAOYSA-N -1 3 357.679 3.384 20 0 FGADHM CC(C)CCO[C@H](C)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820076825 599632627 /nfs/dbraw/zinc/63/26/27/599632627.db2.gz UKCBWNUYXZUWGO-SNVBAGLBSA-N -1 3 371.363 3.275 20 0 FGADHM CC(C)CCO[C@H](C)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820076825 599632628 /nfs/dbraw/zinc/63/26/28/599632628.db2.gz UKCBWNUYXZUWGO-SNVBAGLBSA-N -1 3 371.363 3.275 20 0 FGADHM O=C(CCC(F)(F)F)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000822950579 599633183 /nfs/dbraw/zinc/63/31/83/599633183.db2.gz TYWZHPAOCSQAFY-UHFFFAOYSA-N -1 3 353.226 3.167 20 0 FGADHM O=C(CCC(F)(F)F)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000822950579 599633184 /nfs/dbraw/zinc/63/31/84/599633184.db2.gz TYWZHPAOCSQAFY-UHFFFAOYSA-N -1 3 353.226 3.167 20 0 FGADHM CCOCCOCc1cccc(NCc2ccc(-c3nnn[n-]3)cc2)c1C ZINC000821383318 599646986 /nfs/dbraw/zinc/64/69/86/599646986.db2.gz CLFIQNWNSSJOIF-UHFFFAOYSA-N -1 3 367.453 3.340 20 0 FGADHM CCOCCOCc1cccc(NCc2ccc(-c3nn[n-]n3)cc2)c1C ZINC000821383318 599646987 /nfs/dbraw/zinc/64/69/87/599646987.db2.gz CLFIQNWNSSJOIF-UHFFFAOYSA-N -1 3 367.453 3.340 20 0 FGADHM C[C@H](CCOc1ccccc1)C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820248679 599647674 /nfs/dbraw/zinc/64/76/74/599647674.db2.gz MGOQOTQDSAQOPP-HUUCEWRRSA-N -1 3 365.437 3.149 20 0 FGADHM C[C@H](CCOc1ccccc1)C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820248679 599647675 /nfs/dbraw/zinc/64/76/75/599647675.db2.gz MGOQOTQDSAQOPP-HUUCEWRRSA-N -1 3 365.437 3.149 20 0 FGADHM O=C(OCc1ncc(-c2ccccc2F)o1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823440274 599649271 /nfs/dbraw/zinc/64/92/71/599649271.db2.gz KTJCEGYPVDXORY-UHFFFAOYSA-N -1 3 365.324 3.018 20 0 FGADHM O=C(OCc1ncc(-c2ccccc2F)o1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823440274 599649272 /nfs/dbraw/zinc/64/92/72/599649272.db2.gz KTJCEGYPVDXORY-UHFFFAOYSA-N -1 3 365.324 3.018 20 0 FGADHM Cc1cccc(NC(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)c1Cl ZINC000822323269 599656281 /nfs/dbraw/zinc/65/62/81/599656281.db2.gz BWTLBVCISYPKJD-LLVKDONJSA-N -1 3 357.801 3.235 20 0 FGADHM Cc1cccc(NC(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)c1Cl ZINC000822323269 599656282 /nfs/dbraw/zinc/65/62/82/599656282.db2.gz BWTLBVCISYPKJD-LLVKDONJSA-N -1 3 357.801 3.235 20 0 FGADHM CC(C)C[C@H](CCO)CNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820054610 599686334 /nfs/dbraw/zinc/68/63/34/599686334.db2.gz CHVVVBTZBVAEET-NSHDSACASA-N -1 3 357.380 3.342 20 0 FGADHM CC(C)C[C@H](CCO)CNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820054610 599686335 /nfs/dbraw/zinc/68/63/35/599686335.db2.gz CHVVVBTZBVAEET-NSHDSACASA-N -1 3 357.380 3.342 20 0 FGADHM CC(C)(C)OC(=O)CCCNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000819928691 599688707 /nfs/dbraw/zinc/68/87/07/599688707.db2.gz VJWPPCGRNNNGGH-UHFFFAOYSA-N -1 3 371.363 3.419 20 0 FGADHM CC(C)(C)OC(=O)CCCNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000819928691 599688708 /nfs/dbraw/zinc/68/87/08/599688708.db2.gz VJWPPCGRNNNGGH-UHFFFAOYSA-N -1 3 371.363 3.419 20 0 FGADHM Cc1ccc2[nH]cc(CCC(=O)N(C)c3cccc(-c4nnn[n-]4)c3)c2c1 ZINC000822274743 599697981 /nfs/dbraw/zinc/69/79/81/599697981.db2.gz HZNDCNGUMBSMHO-UHFFFAOYSA-N -1 3 360.421 3.252 20 0 FGADHM Cc1ccc2[nH]cc(CCC(=O)N(C)c3cccc(-c4nn[n-]n4)c3)c2c1 ZINC000822274743 599697982 /nfs/dbraw/zinc/69/79/82/599697982.db2.gz HZNDCNGUMBSMHO-UHFFFAOYSA-N -1 3 360.421 3.252 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)O[C@@H](C)c1ncc(C(C)(C)C)o1 ZINC000826251515 607387971 /nfs/dbraw/zinc/38/79/71/607387971.db2.gz RSUHOGOLRLJIDL-NSHDSACASA-N -1 3 355.398 3.379 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)O[C@@H](C)c1ncc(C(C)(C)C)o1 ZINC000826251515 607387972 /nfs/dbraw/zinc/38/79/72/607387972.db2.gz RSUHOGOLRLJIDL-NSHDSACASA-N -1 3 355.398 3.379 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCc1nc2ccccc2s1 ZINC000826252602 607390308 /nfs/dbraw/zinc/39/03/08/607390308.db2.gz KDBCWZANKYBNIM-UHFFFAOYSA-N -1 3 351.391 3.142 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCc1nc2ccccc2s1 ZINC000826252602 607390312 /nfs/dbraw/zinc/39/03/12/607390312.db2.gz KDBCWZANKYBNIM-UHFFFAOYSA-N -1 3 351.391 3.142 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C=Cc1cncc(C)c1 ZINC000821099234 607391864 /nfs/dbraw/zinc/39/18/64/607391864.db2.gz COIDPKLQXCEAEY-TWGQIWQCSA-N -1 3 362.437 3.022 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C=Cc1cncc(C)c1 ZINC000821099234 607391866 /nfs/dbraw/zinc/39/18/66/607391866.db2.gz COIDPKLQXCEAEY-TWGQIWQCSA-N -1 3 362.437 3.022 20 0 FGADHM CCO[C@H](CC(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1)C(C)C ZINC000821351109 607395077 /nfs/dbraw/zinc/39/50/77/607395077.db2.gz LAYFCHQYXMQNEN-MRXNPFEDSA-N -1 3 361.446 3.044 20 0 FGADHM CCO[C@H](CC(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1)C(C)C ZINC000821351109 607395078 /nfs/dbraw/zinc/39/50/78/607395078.db2.gz LAYFCHQYXMQNEN-MRXNPFEDSA-N -1 3 361.446 3.044 20 0 FGADHM CC(C)Oc1ccc(NC(=O)c2ccc(F)c(F)c2)cc1-c1nnn[n-]1 ZINC000820170110 607397041 /nfs/dbraw/zinc/39/70/41/607397041.db2.gz QIGXTGMDAZAELW-UHFFFAOYSA-N -1 3 359.336 3.184 20 0 FGADHM CC(C)Oc1ccc(NC(=O)c2ccc(F)c(F)c2)cc1-c1nn[n-]n1 ZINC000820170110 607397043 /nfs/dbraw/zinc/39/70/43/607397043.db2.gz QIGXTGMDAZAELW-UHFFFAOYSA-N -1 3 359.336 3.184 20 0 FGADHM CC(C)Oc1ccc(NC(=O)c2cc3c(s2)CCC3)cc1-c1nnn[n-]1 ZINC000820169171 607397292 /nfs/dbraw/zinc/39/72/92/607397292.db2.gz GZFLCLWGXINMRH-UHFFFAOYSA-N -1 3 369.450 3.456 20 0 FGADHM CC(C)Oc1ccc(NC(=O)c2cc3c(s2)CCC3)cc1-c1nn[n-]n1 ZINC000820169171 607397295 /nfs/dbraw/zinc/39/72/95/607397295.db2.gz GZFLCLWGXINMRH-UHFFFAOYSA-N -1 3 369.450 3.456 20 0 FGADHM Cc1nn(-c2ccc(Cl)cc2)c(C)c1CN[C@H]1CCCN(C(=O)[O-])C1 ZINC000738896611 599859925 /nfs/dbraw/zinc/85/99/25/599859925.db2.gz QZWXKXLPNTWDJY-HNNXBMFYSA-N -1 3 362.861 3.375 20 0 FGADHM O=C([O-])N1CCC[C@H](NCc2cc3ccccc3nc2N2CCCCC2)C1 ZINC000739925492 599860317 /nfs/dbraw/zinc/86/03/17/599860317.db2.gz BIYUFKXEEQGKKZ-SFHVURJKSA-N -1 3 368.481 3.457 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)[C@H]1C[C@@]12CCc1ccccc12 ZINC000826253604 607403389 /nfs/dbraw/zinc/40/33/89/607403389.db2.gz WTSBSCNUNKBKJI-WIYYLYMNSA-N -1 3 360.417 3.122 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)[C@H]1C[C@@]12CCc1ccccc12 ZINC000826253604 607403391 /nfs/dbraw/zinc/40/33/91/607403391.db2.gz WTSBSCNUNKBKJI-WIYYLYMNSA-N -1 3 360.417 3.122 20 0 FGADHM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)CN1CCC2(CCCCC2)CC1 ZINC000739624784 599889391 /nfs/dbraw/zinc/88/93/91/599889391.db2.gz LQJDRVOOEGVJJX-IBGZPJMESA-N -1 3 370.493 3.071 20 0 FGADHM C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2cccc(NC(=O)[O-])c2)C1 ZINC000736723573 599908547 /nfs/dbraw/zinc/90/85/47/599908547.db2.gz HKWMLXUUWQROHW-KDOFPFPSSA-N -1 3 353.422 3.342 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000826253390 607406296 /nfs/dbraw/zinc/40/62/96/607406296.db2.gz OBYUXYWMFFAACE-CABCVRRESA-N -1 3 370.359 3.300 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000826253390 607406297 /nfs/dbraw/zinc/40/62/97/607406297.db2.gz OBYUXYWMFFAACE-CABCVRRESA-N -1 3 370.359 3.300 20 0 FGADHM CC(C)Oc1ccc(NC(=O)c2cc3ccccn3c2)cc1-c1nnn[n-]1 ZINC000820169635 607406906 /nfs/dbraw/zinc/40/69/06/607406906.db2.gz LFXMYAIQKDDFMM-UHFFFAOYSA-N -1 3 362.393 3.159 20 0 FGADHM CC(C)Oc1ccc(NC(=O)c2cc3ccccn3c2)cc1-c1nn[n-]n1 ZINC000820169635 607406908 /nfs/dbraw/zinc/40/69/08/607406908.db2.gz LFXMYAIQKDDFMM-UHFFFAOYSA-N -1 3 362.393 3.159 20 0 FGADHM Cc1ccc(Cl)c(OCC(=O)OCc2ccc(-c3nnn[n-]3)cc2C)c1 ZINC000826288976 607407240 /nfs/dbraw/zinc/40/72/40/607407240.db2.gz FNOUIQXRNFPJQQ-UHFFFAOYSA-N -1 3 372.812 3.259 20 0 FGADHM Cc1ccc(Cl)c(OCC(=O)OCc2ccc(-c3nn[n-]n3)cc2C)c1 ZINC000826288976 607407241 /nfs/dbraw/zinc/40/72/41/607407241.db2.gz FNOUIQXRNFPJQQ-UHFFFAOYSA-N -1 3 372.812 3.259 20 0 FGADHM COc1cccc([C@H]2C[C@H]2C(=O)OCc2ccc(-c3nnn[n-]3)cc2C)c1 ZINC000826215838 607408972 /nfs/dbraw/zinc/40/89/72/607408972.db2.gz ZSNXJSVMDAVYTH-QZTJIDSGSA-N -1 3 364.405 3.031 20 0 FGADHM COc1cccc([C@H]2C[C@H]2C(=O)OCc2ccc(-c3nn[n-]n3)cc2C)c1 ZINC000826215838 607408974 /nfs/dbraw/zinc/40/89/74/607408974.db2.gz ZSNXJSVMDAVYTH-QZTJIDSGSA-N -1 3 364.405 3.031 20 0 FGADHM Cc1cc(NC(=O)N(CCN(C)C)Cc2ccc(F)cc2)ccc1C(=O)[O-] ZINC000738437237 600014668 /nfs/dbraw/zinc/01/46/68/600014668.db2.gz CAEMWGMJWFTVME-UHFFFAOYSA-N -1 3 373.428 3.428 20 0 FGADHM Cc1ccc([C@H](CNC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)N(C)C)cc1 ZINC000738560838 600021080 /nfs/dbraw/zinc/02/10/80/600021080.db2.gz LYAHDVWAWIZXBE-IBGZPJMESA-N -1 3 367.449 3.021 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)[C@@H](C)c1cccc(Cl)c1 ZINC000821736405 607418091 /nfs/dbraw/zinc/41/80/91/607418091.db2.gz JBMZOUVWULVYGA-NSHDSACASA-N -1 3 372.812 3.376 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)[C@@H](C)c1cccc(Cl)c1 ZINC000821736405 607418093 /nfs/dbraw/zinc/41/80/93/607418093.db2.gz JBMZOUVWULVYGA-NSHDSACASA-N -1 3 372.812 3.376 20 0 FGADHM C[C@@H](NC(=O)OC(C)(C)C)C1CCN(Cc2ccoc2C(=O)[O-])CC1 ZINC000736649511 600092222 /nfs/dbraw/zinc/09/22/22/600092222.db2.gz HUILTCAEFUCYGP-GFCCVEGCSA-N -1 3 352.431 3.103 20 0 FGADHM Cc1cc(CN2CCC([C@H](C)NC(=O)OC(C)(C)C)CC2)oc1C(=O)[O-] ZINC000738383441 600093294 /nfs/dbraw/zinc/09/32/94/600093294.db2.gz SUDORPPWVQNTBJ-ZDUSSCGKSA-N -1 3 366.458 3.411 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)C(C)=Cc1ccc(F)cc1 ZINC000821736083 607419607 /nfs/dbraw/zinc/41/96/07/607419607.db2.gz AJFOQHLUPRPIEV-XFXZXTDPSA-N -1 3 368.368 3.161 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)C(C)=Cc1ccc(F)cc1 ZINC000821736083 607419609 /nfs/dbraw/zinc/41/96/09/607419609.db2.gz AJFOQHLUPRPIEV-XFXZXTDPSA-N -1 3 368.368 3.161 20 0 FGADHM Cc1ccsc1CCCC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826316511 607422542 /nfs/dbraw/zinc/42/25/42/607422542.db2.gz QUPLOFPGSFPKNL-UHFFFAOYSA-N -1 3 367.478 3.365 20 0 FGADHM Cc1ccsc1CCCC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826316511 607422545 /nfs/dbraw/zinc/42/25/45/607422545.db2.gz QUPLOFPGSFPKNL-UHFFFAOYSA-N -1 3 367.478 3.365 20 0 FGADHM CN(CC(=O)Nc1cc(Cl)c(Cl)cc1Cl)C(C)(C)C(=O)[O-] ZINC000061172369 600132352 /nfs/dbraw/zinc/13/23/52/600132352.db2.gz FOBCPUOLOUZNLF-UHFFFAOYSA-N -1 3 353.633 3.380 20 0 FGADHM O=C(CCCc1cccs1)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826406854 607421130 /nfs/dbraw/zinc/42/11/30/607421130.db2.gz QGVGGFKRROODER-UHFFFAOYSA-N -1 3 353.451 3.056 20 0 FGADHM O=C(CCCc1cccs1)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826406854 607421132 /nfs/dbraw/zinc/42/11/32/607421132.db2.gz QGVGGFKRROODER-UHFFFAOYSA-N -1 3 353.451 3.056 20 0 FGADHM O=C([O-])c1ccc(OC[C@H](O)CN2CCC(c3ccccc3F)CC2)cc1 ZINC000740161411 600217678 /nfs/dbraw/zinc/21/76/78/600217678.db2.gz QRPWGXNAHULQIJ-QGZVFWFLSA-N -1 3 373.424 3.143 20 0 FGADHM C[C@H](C(=O)N(C[C@H](C)C(=O)[O-])C1CC1)N1CCC(Cc2ccccc2)CC1 ZINC000736561234 600249788 /nfs/dbraw/zinc/24/97/88/600249788.db2.gz MCBAFXYLNPMPCJ-DLBZAZTESA-N -1 3 372.509 3.041 20 0 FGADHM CN(C)[C@@H](CNC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1)c1ccccc1 ZINC000737359134 600285540 /nfs/dbraw/zinc/28/55/40/600285540.db2.gz SQLLGFQXESAJIB-INIZCTEOSA-N -1 3 361.829 3.463 20 0 FGADHM CCc1ccc([C@@H](NC(=O)CN(C)C[C@@H](C)C(=O)[O-])c2cccs2)cc1 ZINC000737259544 600367759 /nfs/dbraw/zinc/36/77/59/600367759.db2.gz RWYIOAWOHUKHCV-AUUYWEPGSA-N -1 3 374.506 3.169 20 0 FGADHM Cc1c2cc(F)ccc2oc1C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826234335 607439175 /nfs/dbraw/zinc/43/91/75/607439175.db2.gz REWKCKBMUATNTA-UHFFFAOYSA-N -1 3 351.341 3.337 20 0 FGADHM Cc1c2cc(F)ccc2oc1C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826234335 607439176 /nfs/dbraw/zinc/43/91/76/607439176.db2.gz REWKCKBMUATNTA-UHFFFAOYSA-N -1 3 351.341 3.337 20 0 FGADHM C[C@H](CNC(=O)Nc1cc(C(=O)[O-])ccc1F)N(C)Cc1ccccc1 ZINC000390558875 600378559 /nfs/dbraw/zinc/37/85/59/600378559.db2.gz RIPJQUMAIWADIY-CYBMUJFWSA-N -1 3 359.401 3.166 20 0 FGADHM Cc1c(NC(=O)NC[C@@H](C)N(C)Cc2ccccc2)cccc1C(=O)[O-] ZINC000390552358 600379885 /nfs/dbraw/zinc/37/98/85/600379885.db2.gz PDJIVZNJXPYYTD-CQSZACIVSA-N -1 3 355.438 3.335 20 0 FGADHM CN(C(=O)c1cc(Cl)nc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000825825850 607440556 /nfs/dbraw/zinc/44/05/56/607440556.db2.gz LDXYBIQGZGZKCJ-UHFFFAOYSA-N -1 3 364.796 3.345 20 0 FGADHM CN(C(=O)c1cc(Cl)nc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000825825850 607440558 /nfs/dbraw/zinc/44/05/58/607440558.db2.gz LDXYBIQGZGZKCJ-UHFFFAOYSA-N -1 3 364.796 3.345 20 0 FGADHM CCC(=O)c1ccc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000825034810 607444681 /nfs/dbraw/zinc/44/46/81/607444681.db2.gz QUANKYSIXWCDNJ-UHFFFAOYSA-N -1 3 350.378 3.125 20 0 FGADHM CCC(=O)c1ccc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000825034810 607444683 /nfs/dbraw/zinc/44/46/83/607444683.db2.gz QUANKYSIXWCDNJ-UHFFFAOYSA-N -1 3 350.378 3.125 20 0 FGADHM CCC[C@](C)(NCc1csc(-c2ccc(O)c(OC)c2)n1)C(=O)[O-] ZINC000736961867 600499701 /nfs/dbraw/zinc/49/97/01/600499701.db2.gz CBOIHZYXQZZRRQ-KRWDZBQOSA-N -1 3 350.440 3.257 20 0 FGADHM Cc1cccc2c1CC[C@@H]2NC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826305389 607455830 /nfs/dbraw/zinc/45/58/30/607455830.db2.gz UXOVTINFPIHGFL-SFHVURJKSA-N -1 3 374.448 3.151 20 0 FGADHM Cc1cccc2c1CC[C@@H]2NC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826305389 607455832 /nfs/dbraw/zinc/45/58/32/607455832.db2.gz UXOVTINFPIHGFL-SFHVURJKSA-N -1 3 374.448 3.151 20 0 FGADHM CN(C)CCN(Cc1cccc(Cl)c1)C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000737370730 600662655 /nfs/dbraw/zinc/66/26/55/600662655.db2.gz RNZCLJAJKZWHJB-CVEARBPZSA-N -1 3 366.889 3.121 20 0 FGADHM C[C@@H](CN(Cc1ccccc1)C(=O)c1cccc(CN(C)C)c1)C(=O)[O-] ZINC000827454491 600724227 /nfs/dbraw/zinc/72/42/27/600724227.db2.gz ANUMJDNPVIQZKX-INIZCTEOSA-N -1 3 354.450 3.111 20 0 FGADHM C[C@@H]1CC[C@@H](C)N1CC(=O)NC[C@@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000828214405 600950831 /nfs/dbraw/zinc/95/08/31/600950831.db2.gz MDZVZRHPMUQDKI-JXXFODFXSA-N -1 3 368.477 3.072 20 0 FGADHM Fc1ccc([C@@H](NCc2ccc(-c3nn[n-]n3)cc2F)[C@@H]2CCCO2)cc1 ZINC000822766460 607477911 /nfs/dbraw/zinc/47/79/11/607477911.db2.gz JQELJKZFLQXJJN-ZWKOTPCHSA-N -1 3 371.391 3.155 20 0 FGADHM Cn1cc([C@@H]2CCN([C@@H](C(=O)[O-])c3ccc(Cl)cc3Cl)C2)cn1 ZINC000833043778 601013329 /nfs/dbraw/zinc/01/33/29/601013329.db2.gz WNTJFUDGZUMFFM-MEBBXXQBSA-N -1 3 354.237 3.342 20 0 FGADHM C[C@](NCc1csc(COc2ccc(F)cc2)n1)(C(=O)[O-])C1CC1 ZINC000827741788 601037091 /nfs/dbraw/zinc/03/70/91/601037091.db2.gz STYGBOIDXLVAJV-QGZVFWFLSA-N -1 3 350.415 3.204 20 0 FGADHM Cc1ccc(CN(Cc2ccco2)Cc2ccnc(-c3nnn[n-]3)c2)s1 ZINC000826287771 607489189 /nfs/dbraw/zinc/48/91/89/607489189.db2.gz CHAXHISGCXQUIX-UHFFFAOYSA-N -1 3 366.450 3.427 20 0 FGADHM Cc1ccc(CN(Cc2ccco2)Cc2ccnc(-c3nn[n-]n3)c2)s1 ZINC000826287771 607489192 /nfs/dbraw/zinc/48/91/92/607489192.db2.gz CHAXHISGCXQUIX-UHFFFAOYSA-N -1 3 366.450 3.427 20 0 FGADHM CCc1nc(NC(=O)CN[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])sc1C ZINC000830318322 601201731 /nfs/dbraw/zinc/20/17/31/601201731.db2.gz NLDKVHFWOHGPHH-MEDUHNTESA-N -1 3 361.467 3.004 20 0 FGADHM CCC1CCC(NC(=O)c2cccc(CN3CCCC3)c2)(C(=O)[O-])CC1 ZINC000829094154 601295832 /nfs/dbraw/zinc/29/58/32/601295832.db2.gz PBBPCJLFMIUMQM-UHFFFAOYSA-N -1 3 358.482 3.436 20 0 FGADHM CCC[C@H](C)NC(=O)[C@H]1CCCN(Cc2cc(C(=O)[O-])oc2CC)C1 ZINC000829216448 601414425 /nfs/dbraw/zinc/41/44/25/601414425.db2.gz NCPQLGBXTKHAPD-KBPBESRZSA-N -1 3 350.459 3.057 20 0 FGADHM C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)N1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000828421421 601501361 /nfs/dbraw/zinc/50/13/61/601501361.db2.gz FPBKJPNJRHBZCX-VKJFTORMSA-N -1 3 352.434 3.333 20 0 FGADHM Cc1sc(C(=O)[O-])cc1CN1CCC(C(=O)Nc2ccc(C)cn2)CC1 ZINC000832940756 601621485 /nfs/dbraw/zinc/62/14/85/601621485.db2.gz CRHHXDWOSKMQFY-UHFFFAOYSA-N -1 3 373.478 3.309 20 0 FGADHM Cc1sc(C(=O)[O-])cc1CN1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC000833033071 601637030 /nfs/dbraw/zinc/63/70/30/601637030.db2.gz UHZAODSSJWUODR-ZDUSSCGKSA-N -1 3 352.500 3.129 20 0 FGADHM COc1ccc(C)cc1NC(=O)[C@@H](NCC(C)(C)C(=O)[O-])c1ccccc1 ZINC000832259499 601645506 /nfs/dbraw/zinc/64/55/06/601645506.db2.gz WERFAHJGTZGBIW-SFHVURJKSA-N -1 3 370.449 3.384 20 0 FGADHM C[C@H](C(=O)[O-])[C@@H](NCC(=O)N(C)[C@@H](C)c1ccc(F)cc1)c1ccccc1 ZINC000826045404 601655261 /nfs/dbraw/zinc/65/52/61/601655261.db2.gz TUOJDNNRVDYZRS-AUSJPIAWSA-N -1 3 372.440 3.397 20 0 FGADHM C[C@H](C(=O)[O-])[C@H](NCC(=O)N1c2ccccc2C[C@@H]1C)c1ccccc1 ZINC000826045017 601656519 /nfs/dbraw/zinc/65/65/19/601656519.db2.gz OPWVOMDCWNPNAZ-AVYPCKFXSA-N -1 3 352.434 3.016 20 0 FGADHM Cc1ccccc1CN(C)C(=O)CN[C@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000832979407 601657436 /nfs/dbraw/zinc/65/74/36/601657436.db2.gz LTYFFPSSEMULCA-UZLBHIALSA-N -1 3 354.450 3.005 20 0 FGADHM C[C@@H](C(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1)C1CCCC1 ZINC000825994811 601732156 /nfs/dbraw/zinc/73/21/56/601732156.db2.gz KLHVQDCDAWLHAC-IIBYNOLFSA-N -1 3 358.482 3.048 20 0 FGADHM CCc1ccc(C(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)cc1 ZINC000830232338 601734331 /nfs/dbraw/zinc/73/43/31/601734331.db2.gz PBGQIZUFQOLKNV-QFIPXVFZSA-N -1 3 366.461 3.098 20 0 FGADHM C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NCc2cccc(C(=O)[O-])c2)C1 ZINC000666520827 601856114 /nfs/dbraw/zinc/85/61/14/601856114.db2.gz LEDNVWHZQZEGKO-HNAYVOBHSA-N -1 3 367.449 3.020 20 0 FGADHM CN(C[C@@H](O)c1ccc(F)cc1)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830714372 601900830 /nfs/dbraw/zinc/90/08/30/601900830.db2.gz QHMSNODFVHWATI-GDBMZVCRSA-N -1 3 357.303 3.034 20 0 FGADHM COc1ccccc1OCCN(C)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000832633674 601904912 /nfs/dbraw/zinc/90/49/12/601904912.db2.gz VQLSINYKCYKSCY-KRWDZBQOSA-N -1 3 369.339 3.249 20 0 FGADHM Cc1ccc([C@H](CNC(=O)C2CCC(NC(=O)[O-])CC2)N2CCCC2)cc1 ZINC000740116511 601934290 /nfs/dbraw/zinc/93/42/90/601934290.db2.gz DBPIKZFPNHISPP-ACBHZAAOSA-N -1 3 373.497 3.075 20 0 FGADHM O=C([O-])c1ccc(CN2CCC(NC(=O)C3CCCCC3)CC2)s1 ZINC000833313269 601946001 /nfs/dbraw/zinc/94/60/01/601946001.db2.gz RFIMSEQAYAUZEF-UHFFFAOYSA-N -1 3 350.484 3.107 20 0 FGADHM NC(=O)c1ccc(CN[C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)cc1 ZINC000833085502 601971043 /nfs/dbraw/zinc/97/10/43/601971043.db2.gz QCTXVTPFYZPLIK-AWEZNQCLSA-N -1 3 353.205 3.008 20 0 FGADHM C[C@@H]1CCCCN1CCNC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000828257730 601980081 /nfs/dbraw/zinc/98/00/81/601980081.db2.gz JOBUQUKAZMLPRW-LLVKDONJSA-N -1 3 373.375 3.400 20 0 FGADHM CCc1ncsc1C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000825755531 607540746 /nfs/dbraw/zinc/54/07/46/607540746.db2.gz ZMEKBRXGSIGRIQ-UHFFFAOYSA-N -1 3 368.344 3.157 20 0 FGADHM CCc1ncsc1C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000825755531 607540747 /nfs/dbraw/zinc/54/07/47/607540747.db2.gz ZMEKBRXGSIGRIQ-UHFFFAOYSA-N -1 3 368.344 3.157 20 0 FGADHM CCC(=O)c1ccc(OCc2ccc(OC)c(-c3nnn[n-]3)c2)c(F)c1 ZINC000825040172 607551622 /nfs/dbraw/zinc/55/16/22/607551622.db2.gz ZJQFBLMUGADENN-UHFFFAOYSA-N -1 3 356.357 3.186 20 0 FGADHM CCC(=O)c1ccc(OCc2ccc(OC)c(-c3nn[n-]n3)c2)c(F)c1 ZINC000825040172 607551623 /nfs/dbraw/zinc/55/16/23/607551623.db2.gz ZJQFBLMUGADENN-UHFFFAOYSA-N -1 3 356.357 3.186 20 0 FGADHM CC[C@](C)(CC(=O)[O-])NCc1csc(-c2cccc(C(=O)OC)c2)n1 ZINC000828672173 602218301 /nfs/dbraw/zinc/21/83/01/602218301.db2.gz OGYTXJANOBWSOS-GOSISDBHSA-N -1 3 362.451 3.330 20 0 FGADHM CC(C)[C@@H](O)CC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000824206188 607557705 /nfs/dbraw/zinc/55/77/05/607557705.db2.gz AXJKGBYWMIMCBS-KRWDZBQOSA-N -1 3 367.409 3.005 20 0 FGADHM CC(C)[C@@H](O)CC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000824206188 607557707 /nfs/dbraw/zinc/55/77/07/607557707.db2.gz AXJKGBYWMIMCBS-KRWDZBQOSA-N -1 3 367.409 3.005 20 0 FGADHM CN(CC1CCN(Cc2ccc(OCc3ccccn3)cc2)CC1)C(=O)[O-] ZINC000739664338 602381505 /nfs/dbraw/zinc/38/15/05/602381505.db2.gz DWXOCYZLBVDMOO-UHFFFAOYSA-N -1 3 369.465 3.482 20 0 FGADHM CCn1c(C)cc2c1CCC[C@H]2NC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000825782722 607564299 /nfs/dbraw/zinc/56/42/99/607564299.db2.gz MYTLZXQFIIHCGA-MRXNPFEDSA-N -1 3 365.441 3.196 20 0 FGADHM CCn1c(C)cc2c1CCC[C@H]2NC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000825782722 607564301 /nfs/dbraw/zinc/56/43/01/607564301.db2.gz MYTLZXQFIIHCGA-MRXNPFEDSA-N -1 3 365.441 3.196 20 0 FGADHM COc1ccc(CNC(=O)c2ccc(C(C)(C)C)cc2)cc1-c1nnn[n-]1 ZINC000826200868 607581257 /nfs/dbraw/zinc/58/12/57/607581257.db2.gz NCFUIYNYXKYOPF-UHFFFAOYSA-N -1 3 365.437 3.103 20 0 FGADHM COc1ccc(CNC(=O)c2ccc(C(C)(C)C)cc2)cc1-c1nn[n-]n1 ZINC000826200868 607581258 /nfs/dbraw/zinc/58/12/58/607581258.db2.gz NCFUIYNYXKYOPF-UHFFFAOYSA-N -1 3 365.437 3.103 20 0 FGADHM Cc1nn(Cc2ccccc2Cl)c(C)c1CN[C@H]1CCN(C(=O)[O-])C1 ZINC000740254814 602879037 /nfs/dbraw/zinc/87/90/37/602879037.db2.gz YYOZJUMOYXBKHY-HNNXBMFYSA-N -1 3 362.861 3.044 20 0 FGADHM COc1ccc(COC(=O)CCSc2ccccc2)cc1-c1nnn[n-]1 ZINC000826205180 607593230 /nfs/dbraw/zinc/59/32/30/607593230.db2.gz NBIHIBJLVTVKDS-UHFFFAOYSA-N -1 3 370.434 3.101 20 0 FGADHM COc1ccc(COC(=O)CCSc2ccccc2)cc1-c1nn[n-]n1 ZINC000826205180 607593231 /nfs/dbraw/zinc/59/32/31/607593231.db2.gz NBIHIBJLVTVKDS-UHFFFAOYSA-N -1 3 370.434 3.101 20 0 FGADHM COc1cc(CN[C@H]2CCCCN(C(=O)[O-])C2)c(SC)cc1OC ZINC000739858793 603071806 /nfs/dbraw/zinc/07/18/06/603071806.db2.gz APPHAWRQHJIMHA-ZDUSSCGKSA-N -1 3 354.472 3.048 20 0 FGADHM COc1ccc(COC(=O)c2sccc2SC)cc1-c1nnn[n-]1 ZINC000826206673 607605907 /nfs/dbraw/zinc/60/59/07/607605907.db2.gz GQCGGDLTDUPIOD-UHFFFAOYSA-N -1 3 362.436 3.016 20 0 FGADHM COc1ccc(COC(=O)c2sccc2SC)cc1-c1nn[n-]n1 ZINC000826206673 607605909 /nfs/dbraw/zinc/60/59/09/607605909.db2.gz GQCGGDLTDUPIOD-UHFFFAOYSA-N -1 3 362.436 3.016 20 0 FGADHM CN(C)Cc1cccc(C(=O)Nc2cccc3c2CCN(C(=O)[O-])C3)c1 ZINC000739610224 603102950 /nfs/dbraw/zinc/10/29/50/603102950.db2.gz NMFHXWBVZYKAIZ-UHFFFAOYSA-N -1 3 353.422 3.037 20 0 FGADHM COc1ccc(COC(=O)C/C=C/c2ccc(F)cc2)cc1-c1nnn[n-]1 ZINC000826204816 607612228 /nfs/dbraw/zinc/61/22/28/607612228.db2.gz ALWFRVLELCXADU-NSCUHMNNSA-N -1 3 368.368 3.161 20 0 FGADHM COc1ccc(COC(=O)C/C=C/c2ccc(F)cc2)cc1-c1nn[n-]n1 ZINC000826204816 607612230 /nfs/dbraw/zinc/61/22/30/607612230.db2.gz ALWFRVLELCXADU-NSCUHMNNSA-N -1 3 368.368 3.161 20 0 FGADHM COc1ccc(CNC(=O)N(C)C2CCCCCCC2)cc1-c1nnn[n-]1 ZINC000826197137 607625570 /nfs/dbraw/zinc/62/55/70/607625570.db2.gz BITIKSYRGWDIFD-UHFFFAOYSA-N -1 3 372.473 3.130 20 0 FGADHM COc1ccc(CNC(=O)N(C)C2CCCCCCC2)cc1-c1nn[n-]n1 ZINC000826197137 607625572 /nfs/dbraw/zinc/62/55/72/607625572.db2.gz BITIKSYRGWDIFD-UHFFFAOYSA-N -1 3 372.473 3.130 20 0 FGADHM CCN(CC1CCN(C[C@H](O)c2cccc(C(F)(F)F)c2)CC1)C(=O)[O-] ZINC000827092946 603503127 /nfs/dbraw/zinc/50/31/27/603503127.db2.gz KDJFHJPZOCGSCS-INIZCTEOSA-N -1 3 374.403 3.451 20 0 FGADHM O=C([O-])Nc1ccc(CNCCOc2cccc(C(F)(F)F)c2)cn1 ZINC000832841959 603542884 /nfs/dbraw/zinc/54/28/84/603542884.db2.gz KHXVZHNIWJBSTK-UHFFFAOYSA-N -1 3 355.316 3.359 20 0 FGADHM Cc1oc(NC(=O)CN(CC(C)C)c2ccccc2)c(-c2nnn[n-]2)c1C ZINC000826341611 607645111 /nfs/dbraw/zinc/64/51/11/607645111.db2.gz MASZMGPUJZVHGZ-UHFFFAOYSA-N -1 3 368.441 3.178 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000826246432 607655391 /nfs/dbraw/zinc/65/53/91/607655391.db2.gz CZVJBEHFHXKBBR-RYUDHWBXSA-N -1 3 353.348 3.026 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000826246432 607655392 /nfs/dbraw/zinc/65/53/92/607655392.db2.gz CZVJBEHFHXKBBR-RYUDHWBXSA-N -1 3 353.348 3.026 20 0 FGADHM C[C@](O)(CNCc1cccc2c1N(C(=O)[O-])CC2)c1ccc(F)cc1F ZINC000825513856 603861616 /nfs/dbraw/zinc/86/16/16/603861616.db2.gz CAOUFRCNBOPACS-IBGZPJMESA-N -1 3 362.376 3.003 20 0 FGADHM CN(C[C@H]1CCCN1Cc1ccc(OCc2cccnc2)cc1)C(=O)[O-] ZINC000828231260 604092401 /nfs/dbraw/zinc/09/24/01/604092401.db2.gz ZPQLQXDKGORNIQ-GOSISDBHSA-N -1 3 355.438 3.235 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1cc(Cl)ccc1N(C)C ZINC000826250332 607672052 /nfs/dbraw/zinc/67/20/52/607672052.db2.gz WBRVBKPEMIEUKL-UHFFFAOYSA-N -1 3 356.817 3.147 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1cc(Cl)ccc1N(C)C ZINC000826250332 607672054 /nfs/dbraw/zinc/67/20/54/607672054.db2.gz WBRVBKPEMIEUKL-UHFFFAOYSA-N -1 3 356.817 3.147 20 0 FGADHM Cc1cccc(OC(F)F)c1NC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000826249594 607678620 /nfs/dbraw/zinc/67/86/20/607678620.db2.gz KRCAKUKEPRPUGW-UHFFFAOYSA-N -1 3 359.336 3.337 20 0 FGADHM Cc1cccc(OC(F)F)c1NC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000826249594 607678621 /nfs/dbraw/zinc/67/86/21/607678621.db2.gz KRCAKUKEPRPUGW-UHFFFAOYSA-N -1 3 359.336 3.337 20 0 FGADHM CCCN(CCc1cccc(F)c1)C(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000825313841 607689154 /nfs/dbraw/zinc/68/91/54/607689154.db2.gz SOBGCSYQIMBBFX-UHFFFAOYSA-N -1 3 367.428 3.409 20 0 FGADHM CCCN(CCc1cccc(F)c1)C(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000825313841 607689157 /nfs/dbraw/zinc/68/91/57/607689157.db2.gz SOBGCSYQIMBBFX-UHFFFAOYSA-N -1 3 367.428 3.409 20 0 FGADHM Cc1csc(C2(NC(=O)c3ccc(-c4nnn[n-]4)cc3C)CCCC2)n1 ZINC000826320109 607690376 /nfs/dbraw/zinc/69/03/76/607690376.db2.gz GRBBKRJOMFJQPR-UHFFFAOYSA-N -1 3 368.466 3.139 20 0 FGADHM Cc1csc(C2(NC(=O)c3ccc(-c4nn[n-]n4)cc3C)CCCC2)n1 ZINC000826320109 607690379 /nfs/dbraw/zinc/69/03/79/607690379.db2.gz GRBBKRJOMFJQPR-UHFFFAOYSA-N -1 3 368.466 3.139 20 0 FGADHM Cc1cccnc1[C@H](NC(=O)c1ccc(-c2nnn[n-]2)cc1C)C(C)C ZINC000826247297 607691161 /nfs/dbraw/zinc/69/11/61/607691161.db2.gz YTKMHSSGIZKWFG-MRXNPFEDSA-N -1 3 350.426 3.006 20 0 FGADHM Cc1cccnc1[C@H](NC(=O)c1ccc(-c2nn[n-]n2)cc1C)C(C)C ZINC000826247297 607691162 /nfs/dbraw/zinc/69/11/62/607691162.db2.gz YTKMHSSGIZKWFG-MRXNPFEDSA-N -1 3 350.426 3.006 20 0 FGADHM Cc1cccnc1[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)cc1C)C(C)C ZINC000826247296 607691501 /nfs/dbraw/zinc/69/15/01/607691501.db2.gz YTKMHSSGIZKWFG-INIZCTEOSA-N -1 3 350.426 3.006 20 0 FGADHM Cc1cccnc1[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)cc1C)C(C)C ZINC000826247296 607691503 /nfs/dbraw/zinc/69/15/03/607691503.db2.gz YTKMHSSGIZKWFG-INIZCTEOSA-N -1 3 350.426 3.006 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1C[C@@H](c2ccc(F)cc2)C[C@@H]1C ZINC000826243918 607693419 /nfs/dbraw/zinc/69/34/19/607693419.db2.gz ARUZYTCVIFVFSI-BBRMVZONSA-N -1 3 365.412 3.332 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1C[C@@H](c2ccc(F)cc2)C[C@@H]1C ZINC000826243918 607693420 /nfs/dbraw/zinc/69/34/20/607693420.db2.gz ARUZYTCVIFVFSI-BBRMVZONSA-N -1 3 365.412 3.332 20 0 FGADHM CC(C)N1CCN(c2cccc(NC(=O)C3CCC(C(=O)[O-])CC3)c2)CC1 ZINC000833499790 604505539 /nfs/dbraw/zinc/50/55/39/604505539.db2.gz RJURMYKOEQAMRZ-UHFFFAOYSA-N -1 3 373.497 3.047 20 0 FGADHM C[C@H]1C[C@@H](NC(=O)Nc2cc(C(=O)[O-])cs2)CN1Cc1ccccc1 ZINC000828177186 604509457 /nfs/dbraw/zinc/50/94/57/604509457.db2.gz OWBQYWGSFRPGCE-SWLSCSKDSA-N -1 3 359.451 3.231 20 0 FGADHM CC(C)(C)C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1ccc(F)cc1 ZINC000824085905 607698598 /nfs/dbraw/zinc/69/85/98/607698598.db2.gz HSMZOVJGBBHOTD-HNNXBMFYSA-N -1 3 356.405 3.241 20 0 FGADHM CC(C)(C)C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1ccc(F)cc1 ZINC000824085905 607698599 /nfs/dbraw/zinc/69/85/99/607698599.db2.gz HSMZOVJGBBHOTD-HNNXBMFYSA-N -1 3 356.405 3.241 20 0 FGADHM CC(=O)Nc1ccc(CN2CCN(c3ccc(C(=O)[O-])cc3)C[C@@H]2C)cc1 ZINC000833399832 604619923 /nfs/dbraw/zinc/61/99/23/604619923.db2.gz PXIBVQCUEFCUNH-HNNXBMFYSA-N -1 3 367.449 3.054 20 0 FGADHM C[C@H](c1ccccc1Cl)N(C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC000824770387 607703785 /nfs/dbraw/zinc/70/37/85/607703785.db2.gz JVDORPKEDWTMMT-SNVBAGLBSA-N -1 3 356.817 3.214 20 0 FGADHM C[C@H](c1ccccc1Cl)N(C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC000824770387 607703787 /nfs/dbraw/zinc/70/37/87/607703787.db2.gz JVDORPKEDWTMMT-SNVBAGLBSA-N -1 3 356.817 3.214 20 0 FGADHM CCC(CC)(CC(=O)[O-])NCc1nc(-c2cc(F)c(F)c(F)c2)no1 ZINC000828804455 604675152 /nfs/dbraw/zinc/67/51/52/604675152.db2.gz NMJZBRADDBFFPS-UHFFFAOYSA-N -1 3 357.332 3.277 20 0 FGADHM O=C(c1ccc(-c2nnn[n-]2)[nH]1)N1CCC(c2cccc3ccccc32)CC1 ZINC000826470911 607714371 /nfs/dbraw/zinc/71/43/71/607714371.db2.gz HZMQTOLWPQAHKR-UHFFFAOYSA-N -1 3 372.432 3.368 20 0 FGADHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1CCC(c2cccc3ccccc32)CC1 ZINC000826470911 607714373 /nfs/dbraw/zinc/71/43/73/607714373.db2.gz HZMQTOLWPQAHKR-UHFFFAOYSA-N -1 3 372.432 3.368 20 0 FGADHM Cc1ccccc1Nc1nc(CNC2(CC(=O)[O-])CCOCC2)cs1 ZINC000832979424 604796373 /nfs/dbraw/zinc/79/63/73/604796373.db2.gz ORAXXFBUYHZWSE-UHFFFAOYSA-N -1 3 361.467 3.309 20 0 FGADHM CC(C)(C(=O)[O-])[C@H]1CCCN(CN2C(=O)C(C)(C)[C@H]2c2ccccc2)C1 ZINC000833421246 604867429 /nfs/dbraw/zinc/86/74/29/604867429.db2.gz KWTPWJWTKGKDSO-DLBZAZTESA-N -1 3 358.482 3.376 20 0 FGADHM Cc1ccc(C(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)cc1NC(=O)[O-] ZINC000830181515 604900387 /nfs/dbraw/zinc/90/03/87/604900387.db2.gz CMBDNCLWPXCWCC-SFHVURJKSA-N -1 3 367.449 3.431 20 0 FGADHM O=C([O-])c1ccc(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)cc1F ZINC000833127217 604927308 /nfs/dbraw/zinc/92/73/08/604927308.db2.gz WCZZCBKNSQEYTO-SFHVURJKSA-N -1 3 356.397 3.091 20 0 FGADHM Cc1ccccc1CN1CCCN(C(=O)c2ccc(C(=O)[O-])c(F)c2)CC1 ZINC000832979732 604931637 /nfs/dbraw/zinc/93/16/37/604931637.db2.gz PPQBMRZTMAMATM-UHFFFAOYSA-N -1 3 370.424 3.180 20 0 FGADHM CCSc1ccc(CC(=O)OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825673794 607727793 /nfs/dbraw/zinc/72/77/93/607727793.db2.gz CEVSGVAWZBQMKV-UHFFFAOYSA-N -1 3 354.435 3.265 20 0 FGADHM CCSc1ccc(CC(=O)OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825673794 607727795 /nfs/dbraw/zinc/72/77/95/607727795.db2.gz CEVSGVAWZBQMKV-UHFFFAOYSA-N -1 3 354.435 3.265 20 0 FGADHM COc1cc(NCCNc2c(Cl)cccc2-c2nnn[n-]2)cc(OC)c1 ZINC000826180479 607729906 /nfs/dbraw/zinc/72/99/06/607729906.db2.gz JLIPFOAGZOXRNG-UHFFFAOYSA-N -1 3 374.832 3.061 20 0 FGADHM COc1cc(NCCNc2c(Cl)cccc2-c2nn[n-]n2)cc(OC)c1 ZINC000826180479 607729907 /nfs/dbraw/zinc/72/99/07/607729907.db2.gz JLIPFOAGZOXRNG-UHFFFAOYSA-N -1 3 374.832 3.061 20 0 FGADHM C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)C1CCC(C(=O)[O-])CC1 ZINC000833616490 605089867 /nfs/dbraw/zinc/08/98/67/605089867.db2.gz WLTZTDMZSSAYNY-IPJUCJBFSA-N -1 3 358.482 3.000 20 0 FGADHM CC(C)(C)OC(=O)N[C@@H](CNCc1ccoc1C(=O)[O-])c1ccccc1 ZINC000833438300 605093227 /nfs/dbraw/zinc/09/32/27/605093227.db2.gz MDAJIPPOYJQFJT-HNNXBMFYSA-N -1 3 360.410 3.333 20 0 FGADHM CN(C(=O)[O-])[C@H]1CCCN(CCC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000827822046 605151333 /nfs/dbraw/zinc/15/13/33/605151333.db2.gz FRUHUUSCKVYGAZ-LBPRGKRZSA-N -1 3 373.375 3.108 20 0 FGADHM Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)c2ccc(-c3nnn[n-]3)[nH]2)cc1 ZINC000826285211 607741550 /nfs/dbraw/zinc/74/15/50/607741550.db2.gz RYKCVCRVMBDORX-GUYCJALGSA-N -1 3 350.426 3.117 20 0 FGADHM Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)c2ccc(-c3nn[n-]n3)[nH]2)cc1 ZINC000826285211 607741551 /nfs/dbraw/zinc/74/15/51/607741551.db2.gz RYKCVCRVMBDORX-GUYCJALGSA-N -1 3 350.426 3.117 20 0 FGADHM O=C([O-])N1CCC(N(Cc2cnn(Cc3ccccc3)c2)C2CC2)CC1 ZINC000834083071 605325152 /nfs/dbraw/zinc/32/51/52/605325152.db2.gz IDSKEFPOCIPDCV-UHFFFAOYSA-N -1 3 354.454 3.038 20 0 FGADHM O=C([O-])N[C@@H]1CCC[C@H]2CN(Cc3ncc(-c4ccc(F)cc4)o3)C[C@@H]21 ZINC000834181219 605432298 /nfs/dbraw/zinc/43/22/98/605432298.db2.gz LNWPJONVCFBMKI-CWRNSKLLSA-N -1 3 359.401 3.349 20 0 FGADHM O=C([O-])NC[C@@H]1CCN(Cc2cc3ccccc3nc2N2CCCCC2)C1 ZINC000834226245 605577345 /nfs/dbraw/zinc/57/73/45/605577345.db2.gz VDXBLOJHPYRTLW-INIZCTEOSA-N -1 3 368.481 3.315 20 0 FGADHM CC[C@H](SC)C(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000825159824 607770212 /nfs/dbraw/zinc/77/02/12/607770212.db2.gz ULBWPVOZWIWZJU-LBPRGKRZSA-N -1 3 360.468 3.070 20 0 FGADHM CC[C@H](SC)C(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000825159824 607770213 /nfs/dbraw/zinc/77/02/13/607770213.db2.gz ULBWPVOZWIWZJU-LBPRGKRZSA-N -1 3 360.468 3.070 20 0 FGADHM CN(CCOc1ccc(F)cc1)c1nc2ccccc2cc1-c1nnn[n-]1 ZINC000821604895 606029623 /nfs/dbraw/zinc/02/96/23/606029623.db2.gz MAUICOMSDKMIBN-UHFFFAOYSA-N -1 3 364.384 3.069 20 0 FGADHM CN(CCOc1ccc(F)cc1)c1nc2ccccc2cc1-c1nn[n-]n1 ZINC000821604895 606029625 /nfs/dbraw/zinc/02/96/25/606029625.db2.gz MAUICOMSDKMIBN-UHFFFAOYSA-N -1 3 364.384 3.069 20 0 FGADHM CCO[C@H](CCNc1c(-c2nnn[n-]2)cnc2ccc(Cl)cc21)C(C)C ZINC000821350843 606038875 /nfs/dbraw/zinc/03/88/75/606038875.db2.gz FHEGGVHQWNUYJO-MRXNPFEDSA-N -1 3 374.876 3.353 20 0 FGADHM CCO[C@H](CCNc1c(-c2nn[n-]n2)cnc2ccc(Cl)cc21)C(C)C ZINC000821350843 606038877 /nfs/dbraw/zinc/03/88/77/606038877.db2.gz FHEGGVHQWNUYJO-MRXNPFEDSA-N -1 3 374.876 3.353 20 0 FGADHM O=C([O-])N1CCC[C@H](NCc2nccn2CCCc2ccccc2)CC1 ZINC000834107451 606043123 /nfs/dbraw/zinc/04/31/23/606043123.db2.gz PQWZDUJEBLOMKO-SFHVURJKSA-N -1 3 356.470 3.138 20 0 FGADHM C[C@@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1cccnc1 ZINC000819865773 606050892 /nfs/dbraw/zinc/05/08/92/606050892.db2.gz HOHPCSUZXWEAIP-SECBINFHSA-N -1 3 362.315 3.023 20 0 FGADHM C[C@@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1cccnc1 ZINC000819865773 606050896 /nfs/dbraw/zinc/05/08/96/606050896.db2.gz HOHPCSUZXWEAIP-SECBINFHSA-N -1 3 362.315 3.023 20 0 FGADHM c1cn(-c2ccc(CNc3nc4ccccc4cc3-c3nnn[n-]3)cc2)cn1 ZINC000823802650 606061012 /nfs/dbraw/zinc/06/10/12/606061012.db2.gz WMUDPIHFIXSNRS-UHFFFAOYSA-N -1 3 368.404 3.213 20 0 FGADHM c1cn(-c2ccc(CNc3nc4ccccc4cc3-c3nn[n-]n3)cc2)cn1 ZINC000823802650 606061016 /nfs/dbraw/zinc/06/10/16/606061016.db2.gz WMUDPIHFIXSNRS-UHFFFAOYSA-N -1 3 368.404 3.213 20 0 FGADHM FC(F)Oc1ccc2c(c1)CCC[C@H]2Nc1ccc(-c2nnn[n-]2)nc1 ZINC000822737421 606063644 /nfs/dbraw/zinc/06/36/44/606063644.db2.gz UZRWVDFXNHEZMZ-CQSZACIVSA-N -1 3 358.352 3.353 20 0 FGADHM FC(F)Oc1ccc2c(c1)CCC[C@H]2Nc1ccc(-c2nn[n-]n2)nc1 ZINC000822737421 606063648 /nfs/dbraw/zinc/06/36/48/606063648.db2.gz UZRWVDFXNHEZMZ-CQSZACIVSA-N -1 3 358.352 3.353 20 0 FGADHM C[C@H]1c2ccccc2CN1Cn1ccc(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000820827365 606155935 /nfs/dbraw/zinc/15/59/35/606155935.db2.gz RZSTYKRGXZSAEP-AWEZNQCLSA-N -1 3 357.421 3.265 20 0 FGADHM C[C@H]1c2ccccc2CN1Cn1ccc(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000820827365 606155936 /nfs/dbraw/zinc/15/59/36/606155936.db2.gz RZSTYKRGXZSAEP-AWEZNQCLSA-N -1 3 357.421 3.265 20 0 FGADHM CN(Cc1nccn1C(F)F)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000821618087 606174416 /nfs/dbraw/zinc/17/44/16/606174416.db2.gz PWJVXEFCTVWXNP-UHFFFAOYSA-N -1 3 373.289 3.114 20 0 FGADHM CN(Cc1nccn1C(F)F)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000821618087 606174417 /nfs/dbraw/zinc/17/44/17/606174417.db2.gz PWJVXEFCTVWXNP-UHFFFAOYSA-N -1 3 373.289 3.114 20 0 FGADHM Cc1ncoc1C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCCC2 ZINC000822481872 606175395 /nfs/dbraw/zinc/17/53/95/606175395.db2.gz GJDPTINSPKVATK-UHFFFAOYSA-N -1 3 358.427 3.136 20 0 FGADHM Cc1ncoc1C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCCC2 ZINC000822481872 606175397 /nfs/dbraw/zinc/17/53/97/606175397.db2.gz GJDPTINSPKVATK-UHFFFAOYSA-N -1 3 358.427 3.136 20 0 FGADHM Cc1ccnc(NC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)c1 ZINC000822373769 606183512 /nfs/dbraw/zinc/18/35/12/606183512.db2.gz BUVXMFPUCUEBPG-UHFFFAOYSA-N -1 3 356.389 3.489 20 0 FGADHM Cc1ccnc(NC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)c1 ZINC000822373769 606183514 /nfs/dbraw/zinc/18/35/14/606183514.db2.gz BUVXMFPUCUEBPG-UHFFFAOYSA-N -1 3 356.389 3.489 20 0 FGADHM C[C@@H]1Sc2ccccc2N(C(=O)c2sccc2-c2nnn[n-]2)[C@H]1C ZINC000820822382 606190865 /nfs/dbraw/zinc/19/08/65/606190865.db2.gz YZNOEFODLVFDDZ-UWVGGRQHSA-N -1 3 357.464 3.458 20 0 FGADHM C[C@@H]1Sc2ccccc2N(C(=O)c2sccc2-c2nn[n-]n2)[C@H]1C ZINC000820822382 606190866 /nfs/dbraw/zinc/19/08/66/606190866.db2.gz YZNOEFODLVFDDZ-UWVGGRQHSA-N -1 3 357.464 3.458 20 0 FGADHM Cc1nc(-c2ccccc2)oc1C(=O)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000822418917 606193179 /nfs/dbraw/zinc/19/31/79/606193179.db2.gz JONLYHQJZIOSPZ-UHFFFAOYSA-N -1 3 361.361 3.187 20 0 FGADHM Cc1nc(-c2ccccc2)oc1C(=O)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000822418917 606193180 /nfs/dbraw/zinc/19/31/80/606193180.db2.gz JONLYHQJZIOSPZ-UHFFFAOYSA-N -1 3 361.361 3.187 20 0 FGADHM Oc1ccc(CCNc2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)cc1 ZINC000823726841 606216181 /nfs/dbraw/zinc/21/61/81/606216181.db2.gz GZVKUGYNUKYKQG-UHFFFAOYSA-N -1 3 368.347 3.053 20 0 FGADHM Oc1ccc(CCNc2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)cc1 ZINC000823726841 606216182 /nfs/dbraw/zinc/21/61/82/606216182.db2.gz GZVKUGYNUKYKQG-UHFFFAOYSA-N -1 3 368.347 3.053 20 0 FGADHM C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)cn1C)c1cc(Cl)ccc1Cl ZINC000820384607 606219102 /nfs/dbraw/zinc/21/91/02/606219102.db2.gz IXWKFXHMGXTILJ-MRVPVSSYSA-N -1 3 365.224 3.003 20 0 FGADHM C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)cn1C)c1cc(Cl)ccc1Cl ZINC000820384607 606219103 /nfs/dbraw/zinc/21/91/03/606219103.db2.gz IXWKFXHMGXTILJ-MRVPVSSYSA-N -1 3 365.224 3.003 20 0 FGADHM CCCN(C(=O)c1cc(-c2nnn[n-]2)cn1C)[C@@H](CC)c1ccccc1 ZINC000821083413 606220975 /nfs/dbraw/zinc/22/09/75/606220975.db2.gz YLDDPAKURVHLKN-INIZCTEOSA-N -1 3 352.442 3.209 20 0 FGADHM CCCN(C(=O)c1cc(-c2nn[n-]n2)cn1C)[C@@H](CC)c1ccccc1 ZINC000821083413 606220977 /nfs/dbraw/zinc/22/09/77/606220977.db2.gz YLDDPAKURVHLKN-INIZCTEOSA-N -1 3 352.442 3.209 20 0 FGADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1ccccc1SC1CCCC1 ZINC000822655808 606225782 /nfs/dbraw/zinc/22/57/82/606225782.db2.gz YPILEWDOFSPBDL-UHFFFAOYSA-N -1 3 368.466 3.492 20 0 FGADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1ccccc1SC1CCCC1 ZINC000822655808 606225785 /nfs/dbraw/zinc/22/57/85/606225785.db2.gz YPILEWDOFSPBDL-UHFFFAOYSA-N -1 3 368.466 3.492 20 0 FGADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2occc2Br)s1 ZINC000821470675 606234213 /nfs/dbraw/zinc/23/42/13/606234213.db2.gz RNNMFWKBFHJWAV-UHFFFAOYSA-N -1 3 368.216 3.098 20 0 FGADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2occc2Br)s1 ZINC000821470675 606234214 /nfs/dbraw/zinc/23/42/14/606234214.db2.gz RNNMFWKBFHJWAV-UHFFFAOYSA-N -1 3 368.216 3.098 20 0 FGADHM CN(C(=O)c1cc(-c2nnn[n-]2)cn1C)c1ccccc1Oc1ccccc1 ZINC000821573574 606238827 /nfs/dbraw/zinc/23/88/27/606238827.db2.gz WCOIZAQZICIEMV-UHFFFAOYSA-N -1 3 374.404 3.274 20 0 FGADHM CN(C(=O)c1cc(-c2nn[n-]n2)cn1C)c1ccccc1Oc1ccccc1 ZINC000821573574 606238829 /nfs/dbraw/zinc/23/88/29/606238829.db2.gz WCOIZAQZICIEMV-UHFFFAOYSA-N -1 3 374.404 3.274 20 0 FGADHM CCN1C(=O)c2ccc(Cl)cc2N[C@@H]1c1cc(-c2nnn[n-]2)cs1 ZINC000821241263 606243835 /nfs/dbraw/zinc/24/38/35/606243835.db2.gz LEOFVIQIWOOYFF-AWEZNQCLSA-N -1 3 360.830 3.168 20 0 FGADHM CCN1C(=O)c2ccc(Cl)cc2N[C@@H]1c1cc(-c2nn[n-]n2)cs1 ZINC000821241263 606243837 /nfs/dbraw/zinc/24/38/37/606243837.db2.gz LEOFVIQIWOOYFF-AWEZNQCLSA-N -1 3 360.830 3.168 20 0 FGADHM C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000820562530 606253982 /nfs/dbraw/zinc/25/39/82/606253982.db2.gz GLMKPIHXGJHDOE-SECBINFHSA-N -1 3 364.331 3.047 20 0 FGADHM C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000820562530 606253983 /nfs/dbraw/zinc/25/39/83/606253983.db2.gz GLMKPIHXGJHDOE-SECBINFHSA-N -1 3 364.331 3.047 20 0 FGADHM Cc1ccc(C)c(OCCC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000822232183 606262951 /nfs/dbraw/zinc/26/29/51/606262951.db2.gz WBGYLQCFPWIQCV-UHFFFAOYSA-N -1 3 355.373 3.030 20 0 FGADHM Cc1ccc(C)c(OCCC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000822232183 606262952 /nfs/dbraw/zinc/26/29/52/606262952.db2.gz WBGYLQCFPWIQCV-UHFFFAOYSA-N -1 3 355.373 3.030 20 0 FGADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N(Cc1ccc2ccccc2c1)C1CC1 ZINC000823459966 606263454 /nfs/dbraw/zinc/26/34/54/606263454.db2.gz FBPVJLVSKHQKMW-UHFFFAOYSA-N -1 3 358.405 3.153 20 0 FGADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N(Cc1ccc2ccccc2c1)C1CC1 ZINC000823459966 606263456 /nfs/dbraw/zinc/26/34/56/606263456.db2.gz FBPVJLVSKHQKMW-UHFFFAOYSA-N -1 3 358.405 3.153 20 0 FGADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1c(Cl)cccc1Cl ZINC000820269725 606266197 /nfs/dbraw/zinc/26/61/97/606266197.db2.gz OUUOWGYKXWGIFU-MRVPVSSYSA-N -1 3 365.224 3.035 20 0 FGADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1c(Cl)cccc1Cl ZINC000820269725 606266199 /nfs/dbraw/zinc/26/61/99/606266199.db2.gz OUUOWGYKXWGIFU-MRVPVSSYSA-N -1 3 365.224 3.035 20 0 FGADHM C[C@H](SCc1ccccc1)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820549694 606267977 /nfs/dbraw/zinc/26/79/77/606267977.db2.gz QFXIRNNWKCNUFD-NSHDSACASA-N -1 3 357.414 3.266 20 0 FGADHM C[C@H](SCc1ccccc1)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820549694 606267978 /nfs/dbraw/zinc/26/79/78/606267978.db2.gz QFXIRNNWKCNUFD-NSHDSACASA-N -1 3 357.414 3.266 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)[C@@H]1SCCc2sccc21 ZINC000823344283 606268952 /nfs/dbraw/zinc/26/89/52/606268952.db2.gz TXJCEXZLPLURCH-CYBMUJFWSA-N -1 3 361.427 3.036 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)[C@@H]1SCCc2sccc21 ZINC000823344283 606268954 /nfs/dbraw/zinc/26/89/54/606268954.db2.gz TXJCEXZLPLURCH-CYBMUJFWSA-N -1 3 361.427 3.036 20 0 FGADHM COc1ccccc1C[C@@H](C)CC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000821889370 606272626 /nfs/dbraw/zinc/27/26/26/606272626.db2.gz ACZQZIWMOUIQSI-GFCCVEGCSA-N -1 3 369.400 3.222 20 0 FGADHM COc1ccccc1C[C@@H](C)CC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000821889370 606272628 /nfs/dbraw/zinc/27/26/28/606272628.db2.gz ACZQZIWMOUIQSI-GFCCVEGCSA-N -1 3 369.400 3.222 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CCc1csc(C)n1 ZINC000821119310 606281724 /nfs/dbraw/zinc/28/17/24/606281724.db2.gz XFGIAHHCRNDVFY-UHFFFAOYSA-N -1 3 371.470 3.025 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(C(C)(C)C)on1 ZINC000821123182 606282022 /nfs/dbraw/zinc/28/20/22/606282022.db2.gz MBMLKSJZJUVLPF-UHFFFAOYSA-N -1 3 369.429 3.226 20 0 FGADHM C[C@@H](NC(=O)Cc1coc2cc(F)ccc12)c1cccc(-c2nnn[n-]2)c1 ZINC000820333824 606289591 /nfs/dbraw/zinc/28/95/91/606289591.db2.gz GZCOUDFINMDCDX-LLVKDONJSA-N -1 3 365.368 3.172 20 0 FGADHM C[C@@H](NC(=O)Cc1coc2cc(F)ccc12)c1cccc(-c2nn[n-]n2)c1 ZINC000820333824 606289592 /nfs/dbraw/zinc/28/95/92/606289592.db2.gz GZCOUDFINMDCDX-LLVKDONJSA-N -1 3 365.368 3.172 20 0 FGADHM C[C@H]1[C@H](c2ccccc2)CCN1C(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000820643610 606296245 /nfs/dbraw/zinc/29/62/45/606296245.db2.gz XJURGQFGJFNYKA-DZGCQCFKSA-N -1 3 364.478 3.442 20 0 FGADHM C[C@H]1[C@H](c2ccccc2)CCN1C(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000820643610 606296247 /nfs/dbraw/zinc/29/62/47/606296247.db2.gz XJURGQFGJFNYKA-DZGCQCFKSA-N -1 3 364.478 3.442 20 0 FGADHM O=C(Nc1cc(Cl)ccc1N1CCCCC1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823299469 606314538 /nfs/dbraw/zinc/31/45/38/606314538.db2.gz YVXQSMBFEHGUDU-UHFFFAOYSA-N -1 3 371.832 3.091 20 0 FGADHM O=C(Nc1cc(Cl)ccc1N1CCCCC1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823299469 606314540 /nfs/dbraw/zinc/31/45/40/606314540.db2.gz YVXQSMBFEHGUDU-UHFFFAOYSA-N -1 3 371.832 3.091 20 0 FGADHM CC(C)(NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1ccc(Cl)c(Cl)c1 ZINC000819987588 606318358 /nfs/dbraw/zinc/31/83/58/606318358.db2.gz AQSMHBKUDCZHAL-UHFFFAOYSA-N -1 3 365.224 3.167 20 0 FGADHM CC(C)(NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1ccc(Cl)c(Cl)c1 ZINC000819987588 606318360 /nfs/dbraw/zinc/31/83/60/606318360.db2.gz AQSMHBKUDCZHAL-UHFFFAOYSA-N -1 3 365.224 3.167 20 0 FGADHM CCN(C(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000821154289 606323241 /nfs/dbraw/zinc/32/32/41/606323241.db2.gz LICYFJCNDSLUMP-QGZVFWFLSA-N -1 3 370.432 3.063 20 0 FGADHM CCN(C(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000821154289 606323242 /nfs/dbraw/zinc/32/32/42/606323242.db2.gz LICYFJCNDSLUMP-QGZVFWFLSA-N -1 3 370.432 3.063 20 0 FGADHM Cc1cccc(O[C@@H](C)C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822328450 606347075 /nfs/dbraw/zinc/34/70/75/606347075.db2.gz QBAUKHWEJZWXNW-KGLIPLIRSA-N -1 3 352.394 3.247 20 0 FGADHM Cc1cccc(O[C@@H](C)C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822328450 606347076 /nfs/dbraw/zinc/34/70/76/606347076.db2.gz QBAUKHWEJZWXNW-KGLIPLIRSA-N -1 3 352.394 3.247 20 0 FGADHM COc1cc(Cl)ccc1C(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821717199 606348339 /nfs/dbraw/zinc/34/83/39/606348339.db2.gz KJXMAFXSKNBNSG-SNVBAGLBSA-N -1 3 358.785 3.447 20 0 FGADHM COc1cc(Cl)ccc1C(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821717199 606348341 /nfs/dbraw/zinc/34/83/41/606348341.db2.gz KJXMAFXSKNBNSG-SNVBAGLBSA-N -1 3 358.785 3.447 20 0 FGADHM Cc1ccc(O[C@@H](C)C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822258776 606349870 /nfs/dbraw/zinc/34/98/70/606349870.db2.gz CHZHLTJHFHUHGL-KGLIPLIRSA-N -1 3 352.394 3.247 20 0 FGADHM Cc1ccc(O[C@@H](C)C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822258776 606349871 /nfs/dbraw/zinc/34/98/71/606349871.db2.gz CHZHLTJHFHUHGL-KGLIPLIRSA-N -1 3 352.394 3.247 20 0 FGADHM COc1ccccc1CCC(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821890314 606349903 /nfs/dbraw/zinc/34/99/03/606349903.db2.gz LYGMVPMXEIQUDK-CYBMUJFWSA-N -1 3 352.394 3.112 20 0 FGADHM COc1ccccc1CCC(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821890314 606349905 /nfs/dbraw/zinc/34/99/05/606349905.db2.gz LYGMVPMXEIQUDK-CYBMUJFWSA-N -1 3 352.394 3.112 20 0 FGADHM Cc1nn(-c2ccccc2)cc1C(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000822486547 606353259 /nfs/dbraw/zinc/35/32/59/606353259.db2.gz NYPXPGIDCWEUTI-CQSZACIVSA-N -1 3 374.404 3.279 20 0 FGADHM Cc1nn(-c2ccccc2)cc1C(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000822486547 606353261 /nfs/dbraw/zinc/35/32/61/606353261.db2.gz NYPXPGIDCWEUTI-CQSZACIVSA-N -1 3 374.404 3.279 20 0 FGADHM c1coc(-c2c3c(nc(S[C@H]4CCCOC4)c2-c2nnn[n-]2)CCC3)c1 ZINC000823815888 606362100 /nfs/dbraw/zinc/36/21/00/606362100.db2.gz LTQDPNQMSLBAKH-NSHDSACASA-N -1 3 369.450 3.282 20 0 FGADHM CCS[C@@H]1CCC[C@H](NC(=O)C=Cc2ccccc2-c2nnn[n-]2)C1 ZINC000821447315 606364038 /nfs/dbraw/zinc/36/40/38/606364038.db2.gz IZXURRCRVPKYNT-UMZRIGFJSA-N -1 3 357.483 3.060 20 0 FGADHM CCS[C@@H]1CCC[C@H](NC(=O)C=Cc2ccccc2-c2nn[n-]n2)C1 ZINC000821447315 606364040 /nfs/dbraw/zinc/36/40/40/606364040.db2.gz IZXURRCRVPKYNT-UMZRIGFJSA-N -1 3 357.483 3.060 20 0 FGADHM CC[C@@H]1CCc2ccccc2N1C(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000820989393 606373701 /nfs/dbraw/zinc/37/37/01/606373701.db2.gz RMUPNCIZUXFYSZ-MRXNPFEDSA-N -1 3 363.421 3.004 20 0 FGADHM CC[C@@H]1CCc2ccccc2N1C(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000820989393 606373703 /nfs/dbraw/zinc/37/37/03/606373703.db2.gz RMUPNCIZUXFYSZ-MRXNPFEDSA-N -1 3 363.421 3.004 20 0 FGADHM CN(C(=O)[C@@H]1Cc2ccccc2S1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821569768 606414380 /nfs/dbraw/zinc/41/43/80/606414380.db2.gz VGTLSFLDZCAZMK-HNNXBMFYSA-N -1 3 371.853 3.200 20 0 FGADHM CN(C(=O)[C@@H]1Cc2ccccc2S1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821569768 606414382 /nfs/dbraw/zinc/41/43/82/606414382.db2.gz VGTLSFLDZCAZMK-HNNXBMFYSA-N -1 3 371.853 3.200 20 0 FGADHM C[C@H]1CCCN1C(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000820711476 606436584 /nfs/dbraw/zinc/43/65/84/606436584.db2.gz ZUCMYLSLXZRAPF-AWEZNQCLSA-N -1 3 363.421 3.070 20 0 FGADHM C[C@H]1CCCN1C(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000820711476 606436585 /nfs/dbraw/zinc/43/65/85/606436585.db2.gz ZUCMYLSLXZRAPF-AWEZNQCLSA-N -1 3 363.421 3.070 20 0 FGADHM CC(C)(C)NC(=O)c1ccccc1NCc1cc(-c2nnn[n-]2)ccc1F ZINC000819923268 606449616 /nfs/dbraw/zinc/44/96/16/606449616.db2.gz XKIZJODCGZGEBK-UHFFFAOYSA-N -1 3 368.416 3.146 20 0 FGADHM CC(C)(C)NC(=O)c1ccccc1NCc1cc(-c2nn[n-]n2)ccc1F ZINC000819923268 606449618 /nfs/dbraw/zinc/44/96/18/606449618.db2.gz XKIZJODCGZGEBK-UHFFFAOYSA-N -1 3 368.416 3.146 20 0 FGADHM Clc1cccc(-c2nnn[n-]2)c1NCc1ccc(-n2cccn2)cc1 ZINC000822585801 606454323 /nfs/dbraw/zinc/45/43/23/606454323.db2.gz NRACXYNTVDCBOV-UHFFFAOYSA-N -1 3 351.801 3.318 20 0 FGADHM Clc1cccc(-c2nn[n-]n2)c1NCc1ccc(-n2cccn2)cc1 ZINC000822585801 606454325 /nfs/dbraw/zinc/45/43/25/606454325.db2.gz NRACXYNTVDCBOV-UHFFFAOYSA-N -1 3 351.801 3.318 20 0 FGADHM Cc1ccnc(-c2cccc(NCc3cc(-c4nnn[n-]4)ccc3F)c2)n1 ZINC000822374422 606459298 /nfs/dbraw/zinc/45/92/98/606459298.db2.gz VZWIUFIWPDDQDG-UHFFFAOYSA-N -1 3 361.384 3.383 20 0 FGADHM Cc1ccnc(-c2cccc(NCc3cc(-c4nn[n-]n4)ccc3F)c2)n1 ZINC000822374422 606459299 /nfs/dbraw/zinc/45/92/99/606459299.db2.gz VZWIUFIWPDDQDG-UHFFFAOYSA-N -1 3 361.384 3.383 20 0 FGADHM CCOc1ccc(COC(=O)c2cc(-c3nnn[n-]3)cs2)cc1OCC ZINC000821421724 606462870 /nfs/dbraw/zinc/46/28/70/606462870.db2.gz DPQFMYRWEHUYHA-UHFFFAOYSA-N -1 3 374.422 3.083 20 0 FGADHM CCOc1ccc(COC(=O)c2cc(-c3nn[n-]n3)cs2)cc1OCC ZINC000821421724 606462872 /nfs/dbraw/zinc/46/28/72/606462872.db2.gz DPQFMYRWEHUYHA-UHFFFAOYSA-N -1 3 374.422 3.083 20 0 FGADHM c1ccc2oc(NC3CCN(c4ccccc4-c4nnn[n-]4)CC3)nc2c1 ZINC000823787027 606481698 /nfs/dbraw/zinc/48/16/98/606481698.db2.gz HXPXRUUYBAQJFP-UHFFFAOYSA-N -1 3 361.409 3.089 20 0 FGADHM c1ccc2oc(NC3CCN(c4ccccc4-c4nn[n-]n4)CC3)nc2c1 ZINC000823787027 606481700 /nfs/dbraw/zinc/48/17/00/606481700.db2.gz HXPXRUUYBAQJFP-UHFFFAOYSA-N -1 3 361.409 3.089 20 0 FGADHM Cc1ccc(C2=CCN(C(=O)c3cc(-c4nnn[n-]4)cs3)CC2)cc1 ZINC000822231912 606485762 /nfs/dbraw/zinc/48/57/62/606485762.db2.gz MKBINZLLKMREFO-UHFFFAOYSA-N -1 3 351.435 3.166 20 0 FGADHM Cc1ccc(C2=CCN(C(=O)c3cc(-c4nn[n-]n4)cs3)CC2)cc1 ZINC000822231912 606485764 /nfs/dbraw/zinc/48/57/64/606485764.db2.gz MKBINZLLKMREFO-UHFFFAOYSA-N -1 3 351.435 3.166 20 0 FGADHM CCc1ccc(CN(C(=O)c2cc(-c3nnn[n-]3)cs2)C2CC2)cc1 ZINC000821480284 606490654 /nfs/dbraw/zinc/49/06/54/606490654.db2.gz AVDBAHQZICZIST-UHFFFAOYSA-N -1 3 353.451 3.295 20 0 FGADHM CCc1ccc(CN(C(=O)c2cc(-c3nn[n-]n3)cs2)C2CC2)cc1 ZINC000821480284 606490655 /nfs/dbraw/zinc/49/06/55/606490655.db2.gz AVDBAHQZICZIST-UHFFFAOYSA-N -1 3 353.451 3.295 20 0 FGADHM O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cc(-c2nnn[n-]2)cs1 ZINC000823337207 606499925 /nfs/dbraw/zinc/49/99/25/606499925.db2.gz IAFCVZDNJAGYMT-UHFFFAOYSA-N -1 3 357.292 3.338 20 0 FGADHM O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cc(-c2nn[n-]n2)cs1 ZINC000823337207 606499927 /nfs/dbraw/zinc/49/99/27/606499927.db2.gz IAFCVZDNJAGYMT-UHFFFAOYSA-N -1 3 357.292 3.338 20 0 FGADHM FC(F)(F)CN(Cc1cccs1)Cc1ccccc1-c1nnn[n-]1 ZINC000822719095 606506585 /nfs/dbraw/zinc/50/65/85/606506585.db2.gz ZBMMZRBWBDTRQF-UHFFFAOYSA-N -1 3 353.373 3.493 20 0 FGADHM FC(F)(F)CN(Cc1cccs1)Cc1ccccc1-c1nn[n-]n1 ZINC000822719095 606506587 /nfs/dbraw/zinc/50/65/87/606506587.db2.gz ZBMMZRBWBDTRQF-UHFFFAOYSA-N -1 3 353.373 3.493 20 0 FGADHM Cc1cnc(-c2cccc(NC(=O)c3cc(-c4nnn[n-]4)cs3)c2)o1 ZINC000822388845 606511281 /nfs/dbraw/zinc/51/12/81/606511281.db2.gz DCRLIRGUGQXUNR-UHFFFAOYSA-N -1 3 352.379 3.144 20 0 FGADHM Cc1cnc(-c2cccc(NC(=O)c3cc(-c4nn[n-]n4)cs3)c2)o1 ZINC000822388845 606511283 /nfs/dbraw/zinc/51/12/83/606511283.db2.gz DCRLIRGUGQXUNR-UHFFFAOYSA-N -1 3 352.379 3.144 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N1CCC(C2CCCCC2)CC1 ZINC000823087033 606513474 /nfs/dbraw/zinc/51/34/74/606513474.db2.gz CYMYGPSSEQTXHK-UHFFFAOYSA-N -1 3 353.470 3.228 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N1CCC(C2CCCCC2)CC1 ZINC000823087033 606513475 /nfs/dbraw/zinc/51/34/75/606513475.db2.gz CYMYGPSSEQTXHK-UHFFFAOYSA-N -1 3 353.470 3.228 20 0 FGADHM CC[C@H]1CCc2nc(NC(=O)Cc3cccc(-c4nnn[n-]4)c3)sc2C1 ZINC000820988194 606514811 /nfs/dbraw/zinc/51/48/11/606514811.db2.gz DDDBPFHZYCHJTF-NSHDSACASA-N -1 3 368.466 3.019 20 0 FGADHM CC[C@H]1CCc2nc(NC(=O)Cc3cccc(-c4nn[n-]n4)c3)sc2C1 ZINC000820988194 606514812 /nfs/dbraw/zinc/51/48/12/606514812.db2.gz DDDBPFHZYCHJTF-NSHDSACASA-N -1 3 368.466 3.019 20 0 FGADHM Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)c2cc(-c3nnn[n-]3)cs2)C1 ZINC000822351540 606515073 /nfs/dbraw/zinc/51/50/73/606515073.db2.gz NYOCGNSMNMXODV-STQMWFEESA-N -1 3 353.451 3.255 20 0 FGADHM Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)c2cc(-c3nn[n-]n3)cs2)C1 ZINC000822351540 606515075 /nfs/dbraw/zinc/51/50/75/606515075.db2.gz NYOCGNSMNMXODV-STQMWFEESA-N -1 3 353.451 3.255 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N1CCC[C@@H]1CCc1ccccc1 ZINC000823088029 606528134 /nfs/dbraw/zinc/52/81/34/606528134.db2.gz WIVVPESHNZCRQC-LJQANCHMSA-N -1 3 361.449 3.033 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N1CCC[C@@H]1CCc1ccccc1 ZINC000823088029 606528136 /nfs/dbraw/zinc/52/81/36/606528136.db2.gz WIVVPESHNZCRQC-LJQANCHMSA-N -1 3 361.449 3.033 20 0 FGADHM C[C@H](NC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1F ZINC000822000765 606532317 /nfs/dbraw/zinc/53/23/17/606532317.db2.gz YLVHOBSPRQMMKP-NSHDSACASA-N -1 3 372.379 3.048 20 0 FGADHM C[C@H](NC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1F ZINC000822000765 606532318 /nfs/dbraw/zinc/53/23/18/606532318.db2.gz YLVHOBSPRQMMKP-NSHDSACASA-N -1 3 372.379 3.048 20 0 FGADHM C[C@@H](CC(C)(C)c1ccccc1)NC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820225082 606535610 /nfs/dbraw/zinc/53/56/10/606535610.db2.gz AETWXXXAIACUMJ-HNNXBMFYSA-N -1 3 363.465 3.282 20 0 FGADHM C[C@@H](CC(C)(C)c1ccccc1)NC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820225082 606535612 /nfs/dbraw/zinc/53/56/12/606535612.db2.gz AETWXXXAIACUMJ-HNNXBMFYSA-N -1 3 363.465 3.282 20 0 FGADHM O=C(OCc1cc(-c2nnn[n-]2)ccc1F)C1(Cc2ccccc2)CC1 ZINC000823414596 606536180 /nfs/dbraw/zinc/53/61/80/606536180.db2.gz ZURQDDQPMITHTP-UHFFFAOYSA-N -1 3 352.369 3.072 20 0 FGADHM O=C(OCc1cc(-c2nn[n-]n2)ccc1F)C1(Cc2ccccc2)CC1 ZINC000823414596 606536182 /nfs/dbraw/zinc/53/61/82/606536182.db2.gz ZURQDDQPMITHTP-UHFFFAOYSA-N -1 3 352.369 3.072 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N1CCC[C@H]1CC1CCCCC1 ZINC000823087244 606539814 /nfs/dbraw/zinc/53/98/14/606539814.db2.gz LTVLZPPYNZSPMH-SFHVURJKSA-N -1 3 353.470 3.371 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N1CCC[C@H]1CC1CCCCC1 ZINC000823087244 606539815 /nfs/dbraw/zinc/53/98/15/606539815.db2.gz LTVLZPPYNZSPMH-SFHVURJKSA-N -1 3 353.470 3.371 20 0 FGADHM C[C@]1(CCc2ccccc2)CCN(C(=O)c2cc(-c3nnn[n-]3)cs2)C1 ZINC000820613041 606547427 /nfs/dbraw/zinc/54/74/27/606547427.db2.gz QXPGPKFICPVGIL-IBGZPJMESA-N -1 3 367.478 3.413 20 0 FGADHM C[C@]1(CCc2ccccc2)CCN(C(=O)c2cc(-c3nn[n-]n3)cs2)C1 ZINC000820613041 606547429 /nfs/dbraw/zinc/54/74/29/606547429.db2.gz QXPGPKFICPVGIL-IBGZPJMESA-N -1 3 367.478 3.413 20 0 FGADHM CC(C)(C)OCc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000819951729 606548261 /nfs/dbraw/zinc/54/82/61/606548261.db2.gz VVYNABJOKLLPCE-UHFFFAOYSA-N -1 3 351.410 3.434 20 0 FGADHM CC(C)(C)OCc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000819951729 606548263 /nfs/dbraw/zinc/54/82/63/606548263.db2.gz VVYNABJOKLLPCE-UHFFFAOYSA-N -1 3 351.410 3.434 20 0 FGADHM CCCCN(C)c1ccc(NC(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821062121 606554977 /nfs/dbraw/zinc/55/49/77/606554977.db2.gz UBYHIXSREQRUQP-UHFFFAOYSA-N -1 3 364.453 3.284 20 0 FGADHM CCCCN(C)c1ccc(NC(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821062121 606554978 /nfs/dbraw/zinc/55/49/78/606554978.db2.gz UBYHIXSREQRUQP-UHFFFAOYSA-N -1 3 364.453 3.284 20 0 FGADHM COc1ccc(C2(NC(=O)c3cc(-c4nnn[n-]4)cs3)CCCC2)cc1 ZINC000821782659 606556000 /nfs/dbraw/zinc/55/60/00/606556000.db2.gz JLZWEEYETDWMFH-UHFFFAOYSA-N -1 3 369.450 3.136 20 0 FGADHM COc1ccc(C2(NC(=O)c3cc(-c4nn[n-]n4)cs3)CCCC2)cc1 ZINC000821782659 606556002 /nfs/dbraw/zinc/55/60/02/606556002.db2.gz JLZWEEYETDWMFH-UHFFFAOYSA-N -1 3 369.450 3.136 20 0 FGADHM O=C(OCc1cc(Cl)cc2cccnc21)c1cc(-c2nnn[n-]2)cs1 ZINC000823413557 606567500 /nfs/dbraw/zinc/56/75/00/606567500.db2.gz JULUJMSEHKOAKB-UHFFFAOYSA-N -1 3 371.809 3.487 20 0 FGADHM O=C(OCc1cc(Cl)cc2cccnc21)c1cc(-c2nn[n-]n2)cs1 ZINC000823413557 606567502 /nfs/dbraw/zinc/56/75/02/606567502.db2.gz JULUJMSEHKOAKB-UHFFFAOYSA-N -1 3 371.809 3.487 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N(Cc1ccoc1)C1CCCCC1 ZINC000823087017 606573612 /nfs/dbraw/zinc/57/36/12/606573612.db2.gz CGNOVVYAMYHZBN-UHFFFAOYSA-N -1 3 365.437 3.364 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N(Cc1ccoc1)C1CCCCC1 ZINC000823087017 606573614 /nfs/dbraw/zinc/57/36/14/606573614.db2.gz CGNOVVYAMYHZBN-UHFFFAOYSA-N -1 3 365.437 3.364 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N(CCC(F)(F)F)CC1CC1 ZINC000822217561 606574480 /nfs/dbraw/zinc/57/44/80/606574480.db2.gz HYORGEGAZCIQNP-UHFFFAOYSA-N -1 3 368.363 3.371 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N(CCC(F)(F)F)CC1CC1 ZINC000822217561 606574481 /nfs/dbraw/zinc/57/44/81/606574481.db2.gz HYORGEGAZCIQNP-UHFFFAOYSA-N -1 3 368.363 3.371 20 0 FGADHM CC(C)(C)C(=O)c1ccc(NC(=O)c2sccc2-c2nnn[n-]2)cc1 ZINC000819899531 606583000 /nfs/dbraw/zinc/58/30/00/606583000.db2.gz WFUXWGUVWBLRQO-UHFFFAOYSA-N -1 3 355.423 3.409 20 0 FGADHM CC(C)(C)C(=O)c1ccc(NC(=O)c2sccc2-c2nn[n-]n2)cc1 ZINC000819899531 606583002 /nfs/dbraw/zinc/58/30/02/606583002.db2.gz WFUXWGUVWBLRQO-UHFFFAOYSA-N -1 3 355.423 3.409 20 0 FGADHM O=C(Nc1nc(-c2cccc(O)c2)cs1)c1cc(-c2nnn[n-]2)cs1 ZINC000823376023 606585753 /nfs/dbraw/zinc/58/57/53/606585753.db2.gz VEQSICOVMLVRBM-UHFFFAOYSA-N -1 3 370.419 3.010 20 0 FGADHM O=C(Nc1nc(-c2cccc(O)c2)cs1)c1cc(-c2nn[n-]n2)cs1 ZINC000823376023 606585755 /nfs/dbraw/zinc/58/57/55/606585755.db2.gz VEQSICOVMLVRBM-UHFFFAOYSA-N -1 3 370.419 3.010 20 0 FGADHM C[C@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)[C@H]1Oc2ccccc2[C@H]1C ZINC000820462010 606592205 /nfs/dbraw/zinc/59/22/05/606592205.db2.gz UFCHXEGBUFBLQN-FTGAXOIBSA-N -1 3 356.817 3.280 20 0 FGADHM C[C@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)[C@H]1Oc2ccccc2[C@H]1C ZINC000820462010 606592207 /nfs/dbraw/zinc/59/22/07/606592207.db2.gz UFCHXEGBUFBLQN-FTGAXOIBSA-N -1 3 356.817 3.280 20 0 FGADHM COc1c(Br)cccc1CNc1ccc(-c2nn[n-]n2)cc1 ZINC000821698807 606594420 /nfs/dbraw/zinc/59/44/20/606594420.db2.gz ZMSUHJJAIMHREV-UHFFFAOYSA-N -1 3 360.215 3.250 20 0 FGADHM COc1cccc([C@@H](C)CC(=O)OCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821859784 606613004 /nfs/dbraw/zinc/61/30/04/606613004.db2.gz SJNUOJXVCJGZBT-ZDUSSCGKSA-N -1 3 352.394 3.112 20 0 FGADHM COc1cccc([C@@H](C)CC(=O)OCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821859784 606613005 /nfs/dbraw/zinc/61/30/05/606613005.db2.gz SJNUOJXVCJGZBT-ZDUSSCGKSA-N -1 3 352.394 3.112 20 0 FGADHM CCN(CC)C(=O)[C@H](C)Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821170010 606614454 /nfs/dbraw/zinc/61/44/54/606614454.db2.gz LMMNQAUAOALHFN-AWEZNQCLSA-N -1 3 365.437 3.169 20 0 FGADHM CCN(CC)C(=O)[C@H](C)Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821170010 606614455 /nfs/dbraw/zinc/61/44/55/606614455.db2.gz LMMNQAUAOALHFN-AWEZNQCLSA-N -1 3 365.437 3.169 20 0 FGADHM C[C@H](CNC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccncc1 ZINC000820273974 606617847 /nfs/dbraw/zinc/61/78/47/606617847.db2.gz AWOJPQNWZOKAEQ-SNVBAGLBSA-N -1 3 373.873 3.005 20 0 FGADHM C[C@H](CNC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccncc1 ZINC000820273974 606617849 /nfs/dbraw/zinc/61/78/49/606617849.db2.gz AWOJPQNWZOKAEQ-SNVBAGLBSA-N -1 3 373.873 3.005 20 0 FGADHM CC1CC(C(=O)Nc2ccc(OCc3cccc(-c4nnn[n-]4)c3)cc2)C1 ZINC000820648836 606620017 /nfs/dbraw/zinc/62/00/17/606620017.db2.gz GPUQPZNJDPVIFM-UHFFFAOYSA-N -1 3 363.421 3.430 20 0 FGADHM CC1CC(C(=O)Nc2ccc(OCc3cccc(-c4nn[n-]n4)c3)cc2)C1 ZINC000820648836 606620018 /nfs/dbraw/zinc/62/00/18/606620018.db2.gz GPUQPZNJDPVIFM-UHFFFAOYSA-N -1 3 363.421 3.430 20 0 FGADHM Cc1ccc(/C=C\CC(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000822233258 606622685 /nfs/dbraw/zinc/62/26/85/606622685.db2.gz LJJWQJZODHZYMV-ARJAWSKDSA-N -1 3 351.385 3.381 20 0 FGADHM Cc1ccc(/C=C\CC(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000822233258 606622686 /nfs/dbraw/zinc/62/26/86/606622686.db2.gz LJJWQJZODHZYMV-ARJAWSKDSA-N -1 3 351.385 3.381 20 0 FGADHM C[C@H](Sc1ccc(Cl)cc1-c1nnn[n-]1)C(=O)NC1CCCC1 ZINC000820549594 606630059 /nfs/dbraw/zinc/63/00/59/606630059.db2.gz PGJWBFPTDZXOCC-VIFPVBQESA-N -1 3 351.863 3.060 20 0 FGADHM C[C@H](Sc1ccc(Cl)cc1-c1nn[n-]n1)C(=O)NC1CCCC1 ZINC000820549594 606630060 /nfs/dbraw/zinc/63/00/60/606630060.db2.gz PGJWBFPTDZXOCC-VIFPVBQESA-N -1 3 351.863 3.060 20 0 FGADHM COc1ccc(CNc2cccc(-c3nnn[n-]3)c2)cc1Br ZINC000393385327 606659381 /nfs/dbraw/zinc/65/93/81/606659381.db2.gz MPTJFKMADIZZPJ-UHFFFAOYSA-N -1 3 360.215 3.250 20 0 FGADHM COc1ccc(CNc2cccc(-c3nn[n-]n3)c2)cc1Br ZINC000393385327 606659382 /nfs/dbraw/zinc/65/93/82/606659382.db2.gz MPTJFKMADIZZPJ-UHFFFAOYSA-N -1 3 360.215 3.250 20 0 FGADHM C[C@@H]1CCc2ccccc2N1C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820734751 606665983 /nfs/dbraw/zinc/66/59/83/606665983.db2.gz OIYIYRKQZYOENW-SNVBAGLBSA-N -1 3 355.348 3.126 20 0 FGADHM C[C@@H]1CCc2ccccc2N1C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820734751 606665984 /nfs/dbraw/zinc/66/59/84/606665984.db2.gz OIYIYRKQZYOENW-SNVBAGLBSA-N -1 3 355.348 3.126 20 0 FGADHM O=C(NCc1csc2ccccc12)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823266322 606670598 /nfs/dbraw/zinc/67/05/98/606670598.db2.gz SNXGOMWUWFGHBC-UHFFFAOYSA-N -1 3 371.372 3.290 20 0 FGADHM O=C(NCc1csc2ccccc12)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823266322 606670599 /nfs/dbraw/zinc/67/05/99/606670599.db2.gz SNXGOMWUWFGHBC-UHFFFAOYSA-N -1 3 371.372 3.290 20 0 FGADHM CC[C@H](C)c1ccc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000820882434 606678006 /nfs/dbraw/zinc/67/80/06/606678006.db2.gz RLJBNFAGBNBAMI-LBPRGKRZSA-N -1 3 353.401 3.449 20 0 FGADHM CC[C@H](C)c1ccc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000820882434 606678007 /nfs/dbraw/zinc/67/80/07/606678007.db2.gz RLJBNFAGBNBAMI-LBPRGKRZSA-N -1 3 353.401 3.449 20 0 FGADHM Cc1ccc([C@@H](C)NC(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)cc1F ZINC000822228973 606680198 /nfs/dbraw/zinc/68/01/98/606680198.db2.gz JWFSVOBOLFHXHM-CYBMUJFWSA-N -1 3 368.416 3.217 20 0 FGADHM Cc1ccc([C@@H](C)NC(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)cc1F ZINC000822228973 606680199 /nfs/dbraw/zinc/68/01/99/606680199.db2.gz JWFSVOBOLFHXHM-CYBMUJFWSA-N -1 3 368.416 3.217 20 0 FGADHM C[C@H](NC(=O)CCCc1ccc(F)c(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820329766 606683953 /nfs/dbraw/zinc/68/39/53/606683953.db2.gz ZTZKPKJYISEBKM-LBPRGKRZSA-N -1 3 371.391 3.345 20 0 FGADHM C[C@H](NC(=O)CCCc1ccc(F)c(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820329766 606683954 /nfs/dbraw/zinc/68/39/54/606683954.db2.gz ZTZKPKJYISEBKM-LBPRGKRZSA-N -1 3 371.391 3.345 20 0 FGADHM O=C(Nc1cccc(-c2noc(C3CC3)n2)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000823363800 606692996 /nfs/dbraw/zinc/69/29/96/606692996.db2.gz NXLKDRQNWGICDJ-UHFFFAOYSA-N -1 3 373.376 3.046 20 0 FGADHM O=C(Nc1cccc(-c2noc(C3CC3)n2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000823363800 606692997 /nfs/dbraw/zinc/69/29/97/606692997.db2.gz NXLKDRQNWGICDJ-UHFFFAOYSA-N -1 3 373.376 3.046 20 0 FGADHM CCc1cnc(CNc2ccccc2Oc2ncccc2-c2nnn[n-]2)o1 ZINC000821499993 606699722 /nfs/dbraw/zinc/69/97/22/606699722.db2.gz ZPUOKNCJEZVNKY-UHFFFAOYSA-N -1 3 363.381 3.217 20 0 FGADHM COCC[C@H](C)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821685485 606712642 /nfs/dbraw/zinc/71/26/42/606712642.db2.gz FOYLDGJWLAQGHF-AWEZNQCLSA-N -1 3 353.426 3.283 20 0 FGADHM COCC[C@H](C)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821685485 606712643 /nfs/dbraw/zinc/71/26/43/606712643.db2.gz FOYLDGJWLAQGHF-AWEZNQCLSA-N -1 3 353.426 3.283 20 0 FGADHM COCCC1(CNc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)CCCC1 ZINC000821686859 606720995 /nfs/dbraw/zinc/72/09/95/606720995.db2.gz CIEZIEPCUYOBTR-UHFFFAOYSA-N -1 3 370.379 3.289 20 0 FGADHM COCCC1(CNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)CCCC1 ZINC000821686859 606720996 /nfs/dbraw/zinc/72/09/96/606720996.db2.gz CIEZIEPCUYOBTR-UHFFFAOYSA-N -1 3 370.379 3.289 20 0 FGADHM Cc1cc(C)n(-c2ccccc2CNc2ccc(-c3nn[n-]n3)cc2F)n1 ZINC000822197573 606723332 /nfs/dbraw/zinc/72/33/32/606723332.db2.gz GKGJOWXRWMNZCZ-UHFFFAOYSA-N -1 3 363.400 3.420 20 0 FGADHM COCCCOc1cc(C)ccc1CNc1cccc(F)c1-c1nnn[n-]1 ZINC000821688438 606726551 /nfs/dbraw/zinc/72/65/51/606726551.db2.gz LDJHHGZMEDMKQH-UHFFFAOYSA-N -1 3 371.416 3.342 20 0 FGADHM COCCCOc1cc(C)ccc1CNc1cccc(F)c1-c1nn[n-]n1 ZINC000821688438 606726553 /nfs/dbraw/zinc/72/65/53/606726553.db2.gz LDJHHGZMEDMKQH-UHFFFAOYSA-N -1 3 371.416 3.342 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1cc(C(F)(F)F)ccc1F ZINC000823336985 606727997 /nfs/dbraw/zinc/72/79/97/606727997.db2.gz DSIXQTBKLAONIX-UHFFFAOYSA-N -1 3 369.253 3.416 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1cc(C(F)(F)F)ccc1F ZINC000823336985 606727998 /nfs/dbraw/zinc/72/79/98/606727998.db2.gz DSIXQTBKLAONIX-UHFFFAOYSA-N -1 3 369.253 3.416 20 0 FGADHM CC[C@H](OC1CCCCC1)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820939285 606734493 /nfs/dbraw/zinc/73/44/93/606734493.db2.gz SOMRVMXDPMZXQW-DYVFJYSZSA-N -1 3 357.458 3.172 20 0 FGADHM CC[C@H](OC1CCCCC1)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820939285 606734494 /nfs/dbraw/zinc/73/44/94/606734494.db2.gz SOMRVMXDPMZXQW-DYVFJYSZSA-N -1 3 357.458 3.172 20 0 FGADHM C[C@H](OC1CCCCCC1)C(=O)OCc1cc(-c2nnn[n-]2)ccc1F ZINC000820518653 606735600 /nfs/dbraw/zinc/73/56/00/606735600.db2.gz IGGWCVHJMKQEHT-LBPRGKRZSA-N -1 3 362.405 3.177 20 0 FGADHM C[C@H](OC1CCCCCC1)C(=O)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000820518653 606735601 /nfs/dbraw/zinc/73/56/01/606735601.db2.gz IGGWCVHJMKQEHT-LBPRGKRZSA-N -1 3 362.405 3.177 20 0 FGADHM C[C@@H](OC1CCCCCC1)C(=O)OCc1ccc(-c2nnn[n-]2)cc1F ZINC000820518940 606763766 /nfs/dbraw/zinc/76/37/66/606763766.db2.gz OAYVZDFHFXAEMN-GFCCVEGCSA-N -1 3 362.405 3.177 20 0 FGADHM C[C@@H](OC1CCCCCC1)C(=O)OCc1ccc(-c2nn[n-]n2)cc1F ZINC000820518940 606763767 /nfs/dbraw/zinc/76/37/67/606763767.db2.gz OAYVZDFHFXAEMN-GFCCVEGCSA-N -1 3 362.405 3.177 20 0 FGADHM CCCC1(C(=O)OCc2ccc(-c3nnn[n-]3)cc2OC(F)F)CC1 ZINC000821028693 606766336 /nfs/dbraw/zinc/76/63/36/606766336.db2.gz YCAIEBNHKATSHQ-UHFFFAOYSA-N -1 3 352.341 3.092 20 0 FGADHM CCCC1(C(=O)OCc2ccc(-c3nn[n-]n3)cc2OC(F)F)CC1 ZINC000821028693 606766339 /nfs/dbraw/zinc/76/63/39/606766339.db2.gz YCAIEBNHKATSHQ-UHFFFAOYSA-N -1 3 352.341 3.092 20 0 FGADHM CO[C@H](C)c1nc(COc2cc(Cl)ccc2-c2nnn[n-]2)cs1 ZINC000821676031 606778955 /nfs/dbraw/zinc/77/89/55/606778955.db2.gz ZVNHGRQHZDAJDG-MRVPVSSYSA-N -1 3 351.819 3.263 20 0 FGADHM CO[C@H](C)c1nc(COc2cc(Cl)ccc2-c2nn[n-]n2)cs1 ZINC000821676031 606778957 /nfs/dbraw/zinc/77/89/57/606778957.db2.gz ZVNHGRQHZDAJDG-MRVPVSSYSA-N -1 3 351.819 3.263 20 0 FGADHM CC(=O)c1ccccc1OCCOc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000819845571 606780007 /nfs/dbraw/zinc/78/00/07/606780007.db2.gz WMXIBSVKNZSKBI-UHFFFAOYSA-N -1 3 358.785 3.181 20 0 FGADHM CC(=O)c1ccccc1OCCOc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000819845571 606780009 /nfs/dbraw/zinc/78/00/09/606780009.db2.gz WMXIBSVKNZSKBI-UHFFFAOYSA-N -1 3 358.785 3.181 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)N(C)C(C)C)cc1 ZINC000822136336 606781690 /nfs/dbraw/zinc/78/16/90/606781690.db2.gz LRAQOTCQWOTRFL-UHFFFAOYSA-N -1 3 351.410 3.448 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)N(C)C(C)C)cc1 ZINC000822136336 606781691 /nfs/dbraw/zinc/78/16/91/606781691.db2.gz LRAQOTCQWOTRFL-UHFFFAOYSA-N -1 3 351.410 3.448 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)CC1CCSCC1 ZINC000821100177 606788134 /nfs/dbraw/zinc/78/81/34/606788134.db2.gz VCXNVDVAKBFZQZ-UHFFFAOYSA-N -1 3 359.499 3.139 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)CC1CCSCC1 ZINC000821100177 606788135 /nfs/dbraw/zinc/78/81/35/606788135.db2.gz VCXNVDVAKBFZQZ-UHFFFAOYSA-N -1 3 359.499 3.139 20 0 FGADHM CC(C)CC1(CNC(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)CCC1 ZINC000820063231 606799020 /nfs/dbraw/zinc/79/90/20/606799020.db2.gz UMUXLXRSIKHDSL-UHFFFAOYSA-N -1 3 356.474 3.225 20 0 FGADHM CC(C)CC1(CNC(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)CCC1 ZINC000820063231 606799022 /nfs/dbraw/zinc/79/90/22/606799022.db2.gz UMUXLXRSIKHDSL-UHFFFAOYSA-N -1 3 356.474 3.225 20 0 FGADHM CC(=O)c1ccc(Cl)c(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)c1 ZINC000819835310 606812237 /nfs/dbraw/zinc/81/22/37/606812237.db2.gz VPFUMSMCYQWKLF-VQHVLOKHSA-N -1 3 367.796 3.375 20 0 FGADHM CC(=O)c1ccc(Cl)c(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)c1 ZINC000819835310 606812238 /nfs/dbraw/zinc/81/22/38/606812238.db2.gz VPFUMSMCYQWKLF-VQHVLOKHSA-N -1 3 367.796 3.375 20 0 FGADHM CCCC[C@@H](NC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1)C1CCC1 ZINC000821044276 606816602 /nfs/dbraw/zinc/81/66/02/606816602.db2.gz YKBOWTPDYORRCT-SUMWQHHRSA-N -1 3 357.458 3.109 20 0 FGADHM O=C(C(F)=C1CCCC1)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000822912382 606835188 /nfs/dbraw/zinc/83/51/88/606835188.db2.gz XYNQBVMOTXTETI-UHFFFAOYSA-N -1 3 371.416 3.034 20 0 FGADHM CC[C@H]1CCC[C@@H]1NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000820972959 606837461 /nfs/dbraw/zinc/83/74/61/606837461.db2.gz SHHFDGJMROPJQA-RDJZCZTQSA-N -1 3 356.474 3.365 20 0 FGADHM CC[C@H]1CCC[C@@H]1NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000820972959 606837463 /nfs/dbraw/zinc/83/74/63/606837463.db2.gz SHHFDGJMROPJQA-RDJZCZTQSA-N -1 3 356.474 3.365 20 0 FGADHM CC[C@H](O)c1ccc(OCCCOc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000820931848 606839096 /nfs/dbraw/zinc/83/90/96/606839096.db2.gz JDMPKNMXXNEGKP-SFHVURJKSA-N -1 3 354.410 3.158 20 0 FGADHM CC[C@H](O)c1ccc(OCCCOc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000820931848 606839098 /nfs/dbraw/zinc/83/90/98/606839098.db2.gz JDMPKNMXXNEGKP-SFHVURJKSA-N -1 3 354.410 3.158 20 0 FGADHM c1csc(-c2ccn(CCCOc3cccc(-c4nnn[n-]4)c3)n2)c1 ZINC000823763082 606840694 /nfs/dbraw/zinc/84/06/94/606840694.db2.gz YQUFLHHFHYRXMT-UHFFFAOYSA-N -1 3 352.423 3.261 20 0 FGADHM c1csc(-c2ccn(CCCOc3cccc(-c4nn[n-]n4)c3)n2)c1 ZINC000823763082 606840695 /nfs/dbraw/zinc/84/06/95/606840695.db2.gz YQUFLHHFHYRXMT-UHFFFAOYSA-N -1 3 352.423 3.261 20 0 FGADHM CCOc1ccc(CSCCCOc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000821422095 606840729 /nfs/dbraw/zinc/84/07/29/606840729.db2.gz NCZQOXLLHVCRGA-UHFFFAOYSA-N -1 3 371.466 3.363 20 0 FGADHM CCOc1ccc(CSCCCOc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000821422095 606840730 /nfs/dbraw/zinc/84/07/30/606840730.db2.gz NCZQOXLLHVCRGA-UHFFFAOYSA-N -1 3 371.466 3.363 20 0 FGADHM O=C(CSCCCOc1cccc(-c2nnn[n-]2)c1)Nc1ccccc1 ZINC000823060440 606843009 /nfs/dbraw/zinc/84/30/09/606843009.db2.gz BSCGPGFUIRGYBQ-UHFFFAOYSA-N -1 3 369.450 3.008 20 0 FGADHM O=C(CSCCCOc1cccc(-c2nn[n-]n2)c1)Nc1ccccc1 ZINC000823060440 606843010 /nfs/dbraw/zinc/84/30/10/606843010.db2.gz BSCGPGFUIRGYBQ-UHFFFAOYSA-N -1 3 369.450 3.008 20 0 FGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1Cl)c1ccc2c(c1)CCO2 ZINC000823066054 606852283 /nfs/dbraw/zinc/85/22/83/606852283.db2.gz KPEHNXXTEQWVOO-UHFFFAOYSA-N -1 3 372.837 3.430 20 0 FGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1Cl)c1ccc2c(c1)CCO2 ZINC000823066054 606852284 /nfs/dbraw/zinc/85/22/84/606852284.db2.gz KPEHNXXTEQWVOO-UHFFFAOYSA-N -1 3 372.837 3.430 20 0 FGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1Cl)N1CCc2ccccc21 ZINC000823065792 606854235 /nfs/dbraw/zinc/85/42/35/606854235.db2.gz BOSXMZRUOHHFGT-UHFFFAOYSA-N -1 3 371.853 3.202 20 0 FGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1Cl)N1CCc2ccccc21 ZINC000823065792 606854237 /nfs/dbraw/zinc/85/42/37/606854237.db2.gz BOSXMZRUOHHFGT-UHFFFAOYSA-N -1 3 371.853 3.202 20 0 FGADHM c1ccc2c(c1)cnnc2SCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000823761944 606867615 /nfs/dbraw/zinc/86/76/15/606867615.db2.gz BJEXEGSNRMFFNJ-UHFFFAOYSA-N -1 3 364.434 3.371 20 0 FGADHM c1ccc2c(c1)cnnc2SCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000823761944 606867617 /nfs/dbraw/zinc/86/76/17/606867617.db2.gz BJEXEGSNRMFFNJ-UHFFFAOYSA-N -1 3 364.434 3.371 20 0 FGADHM C[C@@H]1CC[C@H](C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)O1 ZINC000820676441 606874486 /nfs/dbraw/zinc/87/44/86/606874486.db2.gz MYKACOBIJPHSEB-SJKOYZFVSA-N -1 3 365.393 3.165 20 0 FGADHM C[C@@H]1CC[C@H](C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)O1 ZINC000820676441 606874488 /nfs/dbraw/zinc/87/44/88/606874488.db2.gz MYKACOBIJPHSEB-SJKOYZFVSA-N -1 3 365.393 3.165 20 0 FGADHM Fc1cc(-c2nnn[n-]2)cc(F)c1N1CCC[C@@H](Nc2ccccc2)C1 ZINC000822736313 606875645 /nfs/dbraw/zinc/87/56/45/606875645.db2.gz DEEJNQCQKJZLNZ-CQSZACIVSA-N -1 3 356.380 3.226 20 0 FGADHM Fc1cc(-c2nn[n-]n2)cc(F)c1N1CCC[C@@H](Nc2ccccc2)C1 ZINC000822736313 606875647 /nfs/dbraw/zinc/87/56/47/606875647.db2.gz DEEJNQCQKJZLNZ-CQSZACIVSA-N -1 3 356.380 3.226 20 0 FGADHM CC(C)(C)OC(=O)CCNc1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000819928628 606938405 /nfs/dbraw/zinc/93/84/05/606938405.db2.gz SLJMECUCDQHDMM-UHFFFAOYSA-N -1 3 357.336 3.029 20 0 FGADHM CC(C)(C)OC(=O)CCNc1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000819928628 606938406 /nfs/dbraw/zinc/93/84/06/606938406.db2.gz SLJMECUCDQHDMM-UHFFFAOYSA-N -1 3 357.336 3.029 20 0 FGADHM CC[C@H](OC(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc(Cl)cc1 ZINC000820939636 606941794 /nfs/dbraw/zinc/94/17/94/606941794.db2.gz WNGKQMPCGPYZBM-HNNXBMFYSA-N -1 3 370.796 3.338 20 0 FGADHM CC[C@H](OC(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc(Cl)cc1 ZINC000820939636 606941796 /nfs/dbraw/zinc/94/17/96/606941796.db2.gz WNGKQMPCGPYZBM-HNNXBMFYSA-N -1 3 370.796 3.338 20 0 FGADHM c1cc([C@H]2CN(c3c(-c4nnn[n-]4)cnc4ccccc43)CCO2)cs1 ZINC000823798770 606949853 /nfs/dbraw/zinc/94/98/53/606949853.db2.gz XUYAVZPKEOIIFZ-MRXNPFEDSA-N -1 3 364.434 3.054 20 0 FGADHM c1cc([C@H]2CN(c3c(-c4nn[n-]n4)cnc4ccccc43)CCO2)cs1 ZINC000823798770 606949854 /nfs/dbraw/zinc/94/98/54/606949854.db2.gz XUYAVZPKEOIIFZ-MRXNPFEDSA-N -1 3 364.434 3.054 20 0 FGADHM CN(C(=O)Cc1ccc2c(c1)CCC2)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821570888 606960682 /nfs/dbraw/zinc/96/06/82/606960682.db2.gz PSGCBBKDGCRQKL-UHFFFAOYSA-N -1 3 367.840 3.214 20 0 FGADHM CN(C(=O)Cc1ccc2c(c1)CCC2)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821570888 606960683 /nfs/dbraw/zinc/96/06/83/606960683.db2.gz PSGCBBKDGCRQKL-UHFFFAOYSA-N -1 3 367.840 3.214 20 0 FGADHM C[C@H](c1cccc(Cl)c1)S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000820563528 606990038 /nfs/dbraw/zinc/99/00/38/606990038.db2.gz RSMYEINKHVLUJV-LLVKDONJSA-N -1 3 362.842 3.196 20 0 FGADHM C[C@H](c1cccc(Cl)c1)S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000820563528 606990039 /nfs/dbraw/zinc/99/00/39/606990039.db2.gz RSMYEINKHVLUJV-LLVKDONJSA-N -1 3 362.842 3.196 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(F)cc1Cl ZINC000823426623 606991590 /nfs/dbraw/zinc/99/15/90/606991590.db2.gz MFUIDAJIKVNFML-UHFFFAOYSA-N -1 3 350.712 3.155 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(F)cc1Cl ZINC000823426623 606991592 /nfs/dbraw/zinc/99/15/92/606991592.db2.gz MFUIDAJIKVNFML-UHFFFAOYSA-N -1 3 350.712 3.155 20 0 FGADHM CC(C)(C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC000819891836 606997793 /nfs/dbraw/zinc/99/77/93/606997793.db2.gz HSTWQVKSSWSOSR-UHFFFAOYSA-N -1 3 358.348 3.166 20 0 FGADHM CC(C)(C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC000819891836 606997794 /nfs/dbraw/zinc/99/77/94/606997794.db2.gz HSTWQVKSSWSOSR-UHFFFAOYSA-N -1 3 358.348 3.166 20 0 FGADHM CC(=Cc1ccc(F)cc1)C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000819773981 607001601 /nfs/dbraw/zinc/00/16/01/607001601.db2.gz ZIGJXNJGIVNHPA-DHZHZOJOSA-N -1 3 356.332 3.292 20 0 FGADHM CC(=Cc1ccc(F)cc1)C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000819773981 607001602 /nfs/dbraw/zinc/00/16/02/607001602.db2.gz ZIGJXNJGIVNHPA-DHZHZOJOSA-N -1 3 356.332 3.292 20 0 FGADHM CC(C)[C@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)N1CCC[C@H](C)C1 ZINC000820706384 607013203 /nfs/dbraw/zinc/01/32/03/607013203.db2.gz ZKFIYEUZJWQFHC-BBRMVZONSA-N -1 3 359.499 3.242 20 0 FGADHM CC(C)[C@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)N1CCC[C@H](C)C1 ZINC000820706384 607013205 /nfs/dbraw/zinc/01/32/05/607013205.db2.gz ZKFIYEUZJWQFHC-BBRMVZONSA-N -1 3 359.499 3.242 20 0 FGADHM CC[C@@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccc(OC)cc1 ZINC000820938719 607015186 /nfs/dbraw/zinc/01/51/86/607015186.db2.gz MMLQCVRAYMDBNO-MRXNPFEDSA-N -1 3 369.450 3.385 20 0 FGADHM CC[C@@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccc(OC)cc1 ZINC000820938719 607015187 /nfs/dbraw/zinc/01/51/87/607015187.db2.gz MMLQCVRAYMDBNO-MRXNPFEDSA-N -1 3 369.450 3.385 20 0 FGADHM CC[C@H]1CCC[C@@H](NC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820972938 607042955 /nfs/dbraw/zinc/04/29/55/607042955.db2.gz SDRJZJNHSWTTSL-DZGCQCFKSA-N -1 3 357.458 3.109 20 0 FGADHM CC[C@H]1CCC[C@@H](NC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820972938 607042956 /nfs/dbraw/zinc/04/29/56/607042956.db2.gz SDRJZJNHSWTTSL-DZGCQCFKSA-N -1 3 357.458 3.109 20 0 FGADHM CC(C)(C)OC1CCN(c2c(-c3nnn[n-]3)cnc3ccccc32)CC1 ZINC000819946470 607043934 /nfs/dbraw/zinc/04/39/34/607043934.db2.gz LHONQLPRLGDQRY-UHFFFAOYSA-N -1 3 352.442 3.199 20 0 FGADHM CC(C)(C)OC1CCN(c2c(-c3nn[n-]n3)cnc3ccccc32)CC1 ZINC000819946470 607043935 /nfs/dbraw/zinc/04/39/35/607043935.db2.gz LHONQLPRLGDQRY-UHFFFAOYSA-N -1 3 352.442 3.199 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CCC(C(F)F)CC1 ZINC000823303839 607061702 /nfs/dbraw/zinc/06/17/02/607061702.db2.gz WWHOCIBIYSWRPP-UHFFFAOYSA-N -1 3 356.764 3.029 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CCC(C(F)F)CC1 ZINC000823303839 607061703 /nfs/dbraw/zinc/06/17/03/607061703.db2.gz WWHOCIBIYSWRPP-UHFFFAOYSA-N -1 3 356.764 3.029 20 0 FGADHM Cc1csc([C@H]2CCCCN2Cc2cc(F)ccc2-c2nnn[n-]2)n1 ZINC000822408457 607062515 /nfs/dbraw/zinc/06/25/15/607062515.db2.gz DIBXQCZVRIXMIY-OAHLLOKOSA-N -1 3 358.446 3.498 20 0 FGADHM Cc1csc([C@H]2CCCCN2Cc2cc(F)ccc2-c2nn[n-]n2)n1 ZINC000822408457 607062516 /nfs/dbraw/zinc/06/25/16/607062516.db2.gz DIBXQCZVRIXMIY-OAHLLOKOSA-N -1 3 358.446 3.498 20 0 FGADHM COc1ccc(C(=O)OCc2cc(F)ccc2-c2nnn[n-]2)c(Cl)c1 ZINC000821773032 607082587 /nfs/dbraw/zinc/08/25/87/607082587.db2.gz XOKHWFKETYLJND-UHFFFAOYSA-N -1 3 362.748 3.025 20 0 FGADHM COc1ccc(C(=O)OCc2cc(F)ccc2-c2nn[n-]n2)c(Cl)c1 ZINC000821773032 607082589 /nfs/dbraw/zinc/08/25/89/607082589.db2.gz XOKHWFKETYLJND-UHFFFAOYSA-N -1 3 362.748 3.025 20 0 FGADHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)c1sccc1OC(F)F ZINC000823417612 607083269 /nfs/dbraw/zinc/08/32/69/607083269.db2.gz DWDGLIQTAAVKMH-UHFFFAOYSA-N -1 3 370.312 3.026 20 0 FGADHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)c1sccc1OC(F)F ZINC000823417612 607083271 /nfs/dbraw/zinc/08/32/71/607083271.db2.gz DWDGLIQTAAVKMH-UHFFFAOYSA-N -1 3 370.312 3.026 20 0 FGADHM C[C@@H](CC(=O)OCc1cc(F)ccc1-c1nnn[n-]1)c1cccc(F)c1 ZINC000820225781 607083691 /nfs/dbraw/zinc/08/36/91/607083691.db2.gz PGAVUIZEVFTDND-NSHDSACASA-N -1 3 358.348 3.382 20 0 FGADHM C[C@@H](CC(=O)OCc1cc(F)ccc1-c1nn[n-]n1)c1cccc(F)c1 ZINC000820225781 607083693 /nfs/dbraw/zinc/08/36/93/607083693.db2.gz PGAVUIZEVFTDND-NSHDSACASA-N -1 3 358.348 3.382 20 0 FGADHM Cc1ccc2cccc(C(=O)OCc3cc(F)ccc3-c3nnn[n-]3)c2n1 ZINC000822280487 607084613 /nfs/dbraw/zinc/08/46/13/607084613.db2.gz PNDGHRGPECREBY-UHFFFAOYSA-N -1 3 363.352 3.219 20 0 FGADHM Cc1ccc2cccc(C(=O)OCc3cc(F)ccc3-c3nn[n-]n3)c2n1 ZINC000822280487 607084615 /nfs/dbraw/zinc/08/46/15/607084615.db2.gz PNDGHRGPECREBY-UHFFFAOYSA-N -1 3 363.352 3.219 20 0 FGADHM C[C@H](CCOc1ccccc1)C(=O)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000820248778 607085616 /nfs/dbraw/zinc/08/56/16/607085616.db2.gz NOCREKIFJBXPEG-CYBMUJFWSA-N -1 3 370.384 3.154 20 0 FGADHM C[C@H](CCOc1ccccc1)C(=O)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000820248778 607085618 /nfs/dbraw/zinc/08/56/18/607085618.db2.gz NOCREKIFJBXPEG-CYBMUJFWSA-N -1 3 370.384 3.154 20 0 FGADHM CC[C@H](Oc1cccc(C)c1)C(=O)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000820938023 607085798 /nfs/dbraw/zinc/08/57/98/607085798.db2.gz GPXZULFAOQGDJJ-KRWDZBQOSA-N -1 3 370.384 3.215 20 0 FGADHM CC[C@H](Oc1cccc(C)c1)C(=O)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000820938023 607085799 /nfs/dbraw/zinc/08/57/99/607085799.db2.gz GPXZULFAOQGDJJ-KRWDZBQOSA-N -1 3 370.384 3.215 20 0 FGADHM O=C(O[C@@H](Cc1ccccc1)c1cccnc1)c1cccc(-c2nnn[n-]2)c1 ZINC000823392196 607094282 /nfs/dbraw/zinc/09/42/82/607094282.db2.gz NCBAHPRAWQRCIW-IBGZPJMESA-N -1 3 371.400 3.403 20 0 FGADHM O=C(O[C@@H](Cc1ccccc1)c1cccnc1)c1cccc(-c2nn[n-]n2)c1 ZINC000823392196 607094283 /nfs/dbraw/zinc/09/42/83/607094283.db2.gz NCBAHPRAWQRCIW-IBGZPJMESA-N -1 3 371.400 3.403 20 0 FGADHM Cc1cccc(COC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822304505 607118838 /nfs/dbraw/zinc/11/88/38/607118838.db2.gz ZNWLCEQVFIMEQW-UHFFFAOYSA-N -1 3 352.394 3.076 20 0 FGADHM Cc1cccc(COC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822304505 607118840 /nfs/dbraw/zinc/11/88/40/607118840.db2.gz ZNWLCEQVFIMEQW-UHFFFAOYSA-N -1 3 352.394 3.076 20 0 FGADHM O=C(CNc1ccc(-c2nn[n-]n2)cc1Cl)N1CCC[C@H]2CCCC[C@@H]21 ZINC000823014126 607125010 /nfs/dbraw/zinc/12/50/10/607125010.db2.gz GVANTAHKASNAOX-WBMJQRKESA-N -1 3 374.876 3.113 20 0 FGADHM Fc1ccc(OC(F)F)c(NCc2cc(-c3nnn[n-]3)ccc2F)c1 ZINC000822782732 607126051 /nfs/dbraw/zinc/12/60/51/607126051.db2.gz DMQOIOFBYDDNGC-UHFFFAOYSA-N -1 3 353.279 3.358 20 0 FGADHM Fc1ccc(OC(F)F)c(NCc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC000822782732 607126053 /nfs/dbraw/zinc/12/60/53/607126053.db2.gz DMQOIOFBYDDNGC-UHFFFAOYSA-N -1 3 353.279 3.358 20 0 FGADHM CC(C)c1cccc(NC(=O)COc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000820197082 607135516 /nfs/dbraw/zinc/13/55/16/607135516.db2.gz FXLWHNIUJINTKV-UHFFFAOYSA-N -1 3 355.373 3.147 20 0 FGADHM CC(C)c1cccc(NC(=O)COc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000820197082 607135518 /nfs/dbraw/zinc/13/55/18/607135518.db2.gz FXLWHNIUJINTKV-UHFFFAOYSA-N -1 3 355.373 3.147 20 0 FGADHM O=C(Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)NC1CC=CC1 ZINC000823350169 607138287 /nfs/dbraw/zinc/13/82/87/607138287.db2.gz BNHKVKRGWFMSRE-UHFFFAOYSA-N -1 3 362.393 3.499 20 0 FGADHM O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)NC1CC=CC1 ZINC000823350169 607138289 /nfs/dbraw/zinc/13/82/89/607138289.db2.gz BNHKVKRGWFMSRE-UHFFFAOYSA-N -1 3 362.393 3.499 20 0 FGADHM CCCOc1cc(F)ccc1NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000821128514 607140789 /nfs/dbraw/zinc/14/07/89/607140789.db2.gz WEPHLHCKDAQCCI-YFHOEESVSA-N -1 3 367.384 3.447 20 0 FGADHM CCCOc1cc(F)ccc1NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000821128514 607140790 /nfs/dbraw/zinc/14/07/90/607140790.db2.gz WEPHLHCKDAQCCI-YFHOEESVSA-N -1 3 367.384 3.447 20 0 FGADHM CC(C)CC[C@@H]1CCCN1C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000820073117 607152620 /nfs/dbraw/zinc/15/26/20/607152620.db2.gz QJQZCUGGPCEGCA-HNNXBMFYSA-N -1 3 360.437 3.116 20 0 FGADHM CC(C)CC[C@@H]1CCCN1C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000820073117 607152622 /nfs/dbraw/zinc/15/26/22/607152622.db2.gz QJQZCUGGPCEGCA-HNNXBMFYSA-N -1 3 360.437 3.116 20 0 FGADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)N1CCC[C@@H]1CCC1CCCC1 ZINC000823074033 607162839 /nfs/dbraw/zinc/16/28/39/607162839.db2.gz JFPSTDUAXSCSLV-GOSISDBHSA-N -1 3 353.470 3.371 20 0 FGADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)N1CCC[C@@H]1CCC1CCCC1 ZINC000823074033 607162840 /nfs/dbraw/zinc/16/28/40/607162840.db2.gz JFPSTDUAXSCSLV-GOSISDBHSA-N -1 3 353.470 3.371 20 0 FGADHM Cc1c(Cl)cccc1NCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000822035149 607164819 /nfs/dbraw/zinc/16/48/19/607164819.db2.gz RAMQNGAWTDKPFZ-UHFFFAOYSA-N -1 3 367.800 3.491 20 0 FGADHM Cc1c(Cl)cccc1NCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000822035149 607164820 /nfs/dbraw/zinc/16/48/20/607164820.db2.gz RAMQNGAWTDKPFZ-UHFFFAOYSA-N -1 3 367.800 3.491 20 0 FGADHM Cc1cccc(O[C@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000822328399 607189954 /nfs/dbraw/zinc/18/99/54/607189954.db2.gz OZXMLCXDBJOMGV-LLVKDONJSA-N -1 3 357.801 3.235 20 0 FGADHM Cc1cccc(O[C@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000822328399 607189955 /nfs/dbraw/zinc/18/99/55/607189955.db2.gz OZXMLCXDBJOMGV-LLVKDONJSA-N -1 3 357.801 3.235 20 0 FGADHM COc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc(OC)c1C ZINC000821703066 607190551 /nfs/dbraw/zinc/19/05/51/607190551.db2.gz NEIQILVVXDUCQK-UHFFFAOYSA-N -1 3 373.800 3.098 20 0 FGADHM COc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc(OC)c1C ZINC000821703066 607190552 /nfs/dbraw/zinc/19/05/52/607190552.db2.gz NEIQILVVXDUCQK-UHFFFAOYSA-N -1 3 373.800 3.098 20 0 FGADHM C[C@H](Cc1ccccc1F)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820301368 607190569 /nfs/dbraw/zinc/19/05/69/607190569.db2.gz VWZYNXOAMFWLAG-SNVBAGLBSA-N -1 3 359.792 3.477 20 0 FGADHM C[C@H](Cc1ccccc1F)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820301368 607190570 /nfs/dbraw/zinc/19/05/70/607190570.db2.gz VWZYNXOAMFWLAG-SNVBAGLBSA-N -1 3 359.792 3.477 20 0 FGADHM C[C@@]1(c2ccccc2)C[C@@H]1NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820637483 607196552 /nfs/dbraw/zinc/19/65/52/607196552.db2.gz XTUHAFZUTOGKGJ-YJBOKZPZSA-N -1 3 368.828 3.372 20 0 FGADHM C[C@@]1(c2ccccc2)C[C@@H]1NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820637483 607196553 /nfs/dbraw/zinc/19/65/53/607196553.db2.gz XTUHAFZUTOGKGJ-YJBOKZPZSA-N -1 3 368.828 3.372 20 0 FGADHM COc1cc(CNC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)ccc1C ZINC000821717712 607196646 /nfs/dbraw/zinc/19/66/46/607196646.db2.gz VOYYGPNEHKELMB-UHFFFAOYSA-N -1 3 372.816 3.159 20 0 FGADHM COc1cc(CNC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)ccc1C ZINC000821717712 607196647 /nfs/dbraw/zinc/19/66/47/607196647.db2.gz VOYYGPNEHKELMB-UHFFFAOYSA-N -1 3 372.816 3.159 20 0 FGADHM CC(C)Cn1cc(NC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cn1 ZINC000820109000 607199822 /nfs/dbraw/zinc/19/98/22/607199822.db2.gz YLZISKAVUWGMOU-UHFFFAOYSA-N -1 3 360.809 3.017 20 0 FGADHM CC(C)Cn1cc(NC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cn1 ZINC000820109000 607199823 /nfs/dbraw/zinc/19/98/23/607199823.db2.gz YLZISKAVUWGMOU-UHFFFAOYSA-N -1 3 360.809 3.017 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N[C@@H]1CSc2ccccc21 ZINC000823318988 607202025 /nfs/dbraw/zinc/20/20/25/607202025.db2.gz OCWUJFUHFCKLKV-CYBMUJFWSA-N -1 3 372.841 3.489 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N[C@@H]1CSc2ccccc21 ZINC000823318988 607202026 /nfs/dbraw/zinc/20/20/26/607202026.db2.gz OCWUJFUHFCKLKV-CYBMUJFWSA-N -1 3 372.841 3.489 20 0 FGADHM COC[C@@H](NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)c1ccccc1 ZINC000821683673 607202834 /nfs/dbraw/zinc/20/28/34/607202834.db2.gz HJBWLMJLKSZOBA-OAHLLOKOSA-N -1 3 372.816 3.029 20 0 FGADHM COC[C@@H](NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)c1ccccc1 ZINC000821683673 607202835 /nfs/dbraw/zinc/20/28/35/607202835.db2.gz HJBWLMJLKSZOBA-OAHLLOKOSA-N -1 3 372.816 3.029 20 0 FGADHM CCS[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821456162 607204691 /nfs/dbraw/zinc/20/46/91/607204691.db2.gz NXWNRFYKXMXPGW-QWHCGFSZSA-N -1 3 366.878 3.316 20 0 FGADHM CCS[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821456162 607204692 /nfs/dbraw/zinc/20/46/92/607204692.db2.gz NXWNRFYKXMXPGW-QWHCGFSZSA-N -1 3 366.878 3.316 20 0 FGADHM CCc1cc(C)c(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(C)C)o1 ZINC000821469581 607210058 /nfs/dbraw/zinc/21/00/58/607210058.db2.gz GNXRGQKSKYKMNQ-UHFFFAOYSA-N -1 3 355.398 3.370 20 0 FGADHM CCc1cc(C)c(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(C)C)o1 ZINC000821469581 607210059 /nfs/dbraw/zinc/21/00/59/607210059.db2.gz GNXRGQKSKYKMNQ-UHFFFAOYSA-N -1 3 355.398 3.370 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)c(N2CCC[C@@H](c3nc4ccccc4o3)C2)n1 ZINC000822214992 607227299 /nfs/dbraw/zinc/22/72/99/607227299.db2.gz HLYQMPQWDQOAKJ-CYBMUJFWSA-N -1 3 361.409 3.095 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)c(N2CCC[C@@H](c3nc4ccccc4o3)C2)n1 ZINC000822214992 607227300 /nfs/dbraw/zinc/22/73/00/607227300.db2.gz HLYQMPQWDQOAKJ-CYBMUJFWSA-N -1 3 361.409 3.095 20 0 FGADHM CCOc1ccccc1NC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000821437496 607234901 /nfs/dbraw/zinc/23/49/01/607234901.db2.gz OOQWHMMKANEXSE-UHFFFAOYSA-N -1 3 367.409 3.062 20 0 FGADHM CCOc1ccccc1NC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000821437496 607234902 /nfs/dbraw/zinc/23/49/02/607234902.db2.gz OOQWHMMKANEXSE-UHFFFAOYSA-N -1 3 367.409 3.062 20 0 FGADHM COc1cccc([C@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000821860127 607242456 /nfs/dbraw/zinc/24/24/56/607242456.db2.gz XNWXRCXTAOSWFW-JTQLQIEISA-N -1 3 357.801 3.271 20 0 FGADHM COc1cccc([C@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000821860127 607242457 /nfs/dbraw/zinc/24/24/57/607242457.db2.gz XNWXRCXTAOSWFW-JTQLQIEISA-N -1 3 357.801 3.271 20 0 FGADHM CC(C)(C)c1ncc(C=CC(=O)Oc2ccc(-c3nnn[n-]3)cc2F)s1 ZINC000819966144 607246838 /nfs/dbraw/zinc/24/68/38/607246838.db2.gz XSIAKWPVAZDCFA-ALCCZGGFSA-N -1 3 373.413 3.379 20 0 FGADHM CC(C)(C)c1ncc(C=CC(=O)Oc2ccc(-c3nn[n-]n3)cc2F)s1 ZINC000819966144 607246839 /nfs/dbraw/zinc/24/68/39/607246839.db2.gz XSIAKWPVAZDCFA-ALCCZGGFSA-N -1 3 373.413 3.379 20 0 FGADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)c1ccc(Cl)c2cccnc12 ZINC000823449704 607247445 /nfs/dbraw/zinc/24/74/45/607247445.db2.gz AHDWKTMWSWZSQS-UHFFFAOYSA-N -1 3 369.743 3.427 20 0 FGADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)c1ccc(Cl)c2cccnc12 ZINC000823449704 607247446 /nfs/dbraw/zinc/24/74/46/607247446.db2.gz AHDWKTMWSWZSQS-UHFFFAOYSA-N -1 3 369.743 3.427 20 0 FGADHM Cc1ccc(OCCCC(=O)Oc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000822263507 607249016 /nfs/dbraw/zinc/24/90/16/607249016.db2.gz QKIGKHNMAMSEBC-UHFFFAOYSA-N -1 3 356.357 3.079 20 0 FGADHM Cc1ccc(OCCCC(=O)Oc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000822263507 607249017 /nfs/dbraw/zinc/24/90/17/607249017.db2.gz QKIGKHNMAMSEBC-UHFFFAOYSA-N -1 3 356.357 3.079 20 0 FGADHM C[C@H](CCOc1ccccc1)C(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000820249680 607249314 /nfs/dbraw/zinc/24/93/14/607249314.db2.gz YMYWVLLZBFQIIU-GFCCVEGCSA-N -1 3 356.357 3.016 20 0 FGADHM C[C@H](CCOc1ccccc1)C(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000820249680 607249315 /nfs/dbraw/zinc/24/93/15/607249315.db2.gz YMYWVLLZBFQIIU-GFCCVEGCSA-N -1 3 356.357 3.016 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cn1)c1ccc(CCC(F)(F)F)cc1 ZINC000826452638 607785997 /nfs/dbraw/zinc/78/59/97/607785997.db2.gz ALKMMUPPLGXYJX-UHFFFAOYSA-N -1 3 362.315 3.009 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cn1)c1ccc(CCC(F)(F)F)cc1 ZINC000826452638 607785998 /nfs/dbraw/zinc/78/59/98/607785998.db2.gz ALKMMUPPLGXYJX-UHFFFAOYSA-N -1 3 362.315 3.009 20 0 FGADHM COc1ccccc1[C@H](C)CC(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC000826218959 607787432 /nfs/dbraw/zinc/78/74/32/607787432.db2.gz PFZMJPYXOJMHDU-CYBMUJFWSA-N -1 3 351.410 3.032 20 0 FGADHM COc1ccccc1[C@H](C)CC(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC000826218959 607787433 /nfs/dbraw/zinc/78/74/33/607787433.db2.gz PFZMJPYXOJMHDU-CYBMUJFWSA-N -1 3 351.410 3.032 20 0 FGADHM CN(C(=O)C(F)(F)c1cccc(Cl)c1)c1ccccc1-c1nnn[n-]1 ZINC000825811910 607788924 /nfs/dbraw/zinc/78/89/24/607788924.db2.gz DFZKQQBUYNRCDC-UHFFFAOYSA-N -1 3 363.755 3.275 20 0 FGADHM CN(C(=O)C(F)(F)c1cccc(Cl)c1)c1ccccc1-c1nn[n-]n1 ZINC000825811910 607788925 /nfs/dbraw/zinc/78/89/25/607788925.db2.gz DFZKQQBUYNRCDC-UHFFFAOYSA-N -1 3 363.755 3.275 20 0 FGADHM CN(C(=O)c1ccc2ccc(Cl)cc2n1)c1ccccc1-c1nnn[n-]1 ZINC000825830807 607789207 /nfs/dbraw/zinc/78/92/07/607789207.db2.gz YCEGLNNULFSAGP-UHFFFAOYSA-N -1 3 364.796 3.345 20 0 FGADHM CN(C(=O)c1ccc2ccc(Cl)cc2n1)c1ccccc1-c1nn[n-]n1 ZINC000825830807 607789208 /nfs/dbraw/zinc/78/92/08/607789208.db2.gz YCEGLNNULFSAGP-UHFFFAOYSA-N -1 3 364.796 3.345 20 0 FGADHM C[C@@H](CSc1ccccc1)C(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC000824449940 607789525 /nfs/dbraw/zinc/78/95/25/607789525.db2.gz RAPHKWAEUGYHPR-ZDUSSCGKSA-N -1 3 353.451 3.258 20 0 FGADHM C[C@@H](CSc1ccccc1)C(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC000824449940 607789526 /nfs/dbraw/zinc/78/95/26/607789526.db2.gz RAPHKWAEUGYHPR-ZDUSSCGKSA-N -1 3 353.451 3.258 20 0 FGADHM CCOc1ccccc1C(F)(F)C(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000825654086 607794522 /nfs/dbraw/zinc/79/45/22/607794522.db2.gz NYMOHLRHWXYSML-UHFFFAOYSA-N -1 3 373.363 3.304 20 0 FGADHM CCOc1ccccc1C(F)(F)C(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000825654086 607794523 /nfs/dbraw/zinc/79/45/23/607794523.db2.gz NYMOHLRHWXYSML-UHFFFAOYSA-N -1 3 373.363 3.304 20 0 FGADHM CC1(c2ccccc2)CCN(C(=O)C=Cc2ccccc2-c2nnn[n-]2)CC1 ZINC000824843136 607795191 /nfs/dbraw/zinc/79/51/91/607795191.db2.gz AGSYRAMRYKOXRQ-QXMHVHEDSA-N -1 3 373.460 3.460 20 0 FGADHM CC1(c2ccccc2)CCN(C(=O)C=Cc2ccccc2-c2nn[n-]n2)CC1 ZINC000824843136 607795192 /nfs/dbraw/zinc/79/51/92/607795192.db2.gz AGSYRAMRYKOXRQ-QXMHVHEDSA-N -1 3 373.460 3.460 20 0 FGADHM CCN(C(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367797 607795597 /nfs/dbraw/zinc/79/55/97/607795597.db2.gz WXPPAQXIWNRYAZ-UHFFFAOYSA-N -1 3 351.454 3.436 20 0 FGADHM CCN(C(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367797 607795598 /nfs/dbraw/zinc/79/55/98/607795598.db2.gz WXPPAQXIWNRYAZ-UHFFFAOYSA-N -1 3 351.454 3.436 20 0 FGADHM CCN(C(=O)[C@@H]1C[C@@H]1c1sccc1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367549 607797126 /nfs/dbraw/zinc/79/71/26/607797126.db2.gz SKJOPIZQTAFZKZ-LSDHHAIUSA-N -1 3 353.451 3.393 20 0 FGADHM CCN(C(=O)[C@@H]1C[C@@H]1c1sccc1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367549 607797127 /nfs/dbraw/zinc/79/71/27/607797127.db2.gz SKJOPIZQTAFZKZ-LSDHHAIUSA-N -1 3 353.451 3.393 20 0 FGADHM CCN(C(=O)Cc1ccccc1OC(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000825376956 607797332 /nfs/dbraw/zinc/79/73/32/607797332.db2.gz QFLVHATXKQSWNA-UHFFFAOYSA-N -1 3 373.363 3.064 20 0 FGADHM CCN(C(=O)Cc1ccccc1OC(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000825376956 607797333 /nfs/dbraw/zinc/79/73/33/607797333.db2.gz QFLVHATXKQSWNA-UHFFFAOYSA-N -1 3 373.363 3.064 20 0 FGADHM CCN(C(=O)c1ccc(-c2cnco2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825379881 607797493 /nfs/dbraw/zinc/79/74/93/607797493.db2.gz LBFIUZLWFZOIAI-UHFFFAOYSA-N -1 3 360.377 3.188 20 0 FGADHM CCN(C(=O)c1ccc(-c2cnco2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825379881 607797494 /nfs/dbraw/zinc/79/74/94/607797494.db2.gz LBFIUZLWFZOIAI-UHFFFAOYSA-N -1 3 360.377 3.188 20 0 FGADHM CCN(C(=O)c1cc(-c2ccccc2)on1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825376635 607798309 /nfs/dbraw/zinc/79/83/09/607798309.db2.gz KKMVTSGPBSYZCV-UHFFFAOYSA-N -1 3 360.377 3.188 20 0 FGADHM CCN(C(=O)c1cc(-c2ccccc2)on1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825376635 607798310 /nfs/dbraw/zinc/79/83/10/607798310.db2.gz KKMVTSGPBSYZCV-UHFFFAOYSA-N -1 3 360.377 3.188 20 0 FGADHM Cc1noc(C)c1[C@H](C)CC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000826338463 607826662 /nfs/dbraw/zinc/82/66/62/607826662.db2.gz WFMHRRDVDMLNPG-MRVPVSSYSA-N -1 3 372.454 3.154 20 0 FGADHM Cc1noc(C)c1[C@H](C)CC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000826338463 607826663 /nfs/dbraw/zinc/82/66/63/607826663.db2.gz WFMHRRDVDMLNPG-MRVPVSSYSA-N -1 3 372.454 3.154 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccnc(Cl)c1F ZINC000825317777 607833194 /nfs/dbraw/zinc/83/31/94/607833194.db2.gz ARYFUBJXKXMQTG-UHFFFAOYSA-N -1 3 374.807 3.107 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccnc(Cl)c1F ZINC000825317777 607833195 /nfs/dbraw/zinc/83/31/95/607833195.db2.gz ARYFUBJXKXMQTG-UHFFFAOYSA-N -1 3 374.807 3.107 20 0 FGADHM CCO[C@@H]1C[C@H](Nc2ccc3cc(-c4nnn[n-]4)ccc3n2)C12CCC2 ZINC000825581674 607841822 /nfs/dbraw/zinc/84/18/22/607841822.db2.gz CXZQQKGFYOYNRC-JKSUJKDBSA-N -1 3 350.426 3.175 20 0 FGADHM CCO[C@@H]1C[C@H](Nc2ccc3cc(-c4nn[n-]n4)ccc3n2)C12CCC2 ZINC000825581674 607841823 /nfs/dbraw/zinc/84/18/23/607841823.db2.gz CXZQQKGFYOYNRC-JKSUJKDBSA-N -1 3 350.426 3.175 20 0 FGADHM O[C@H](CSc1ccc(-c2nnn[n-]2)cc1Cl)c1ccccc1F ZINC000826504695 607843216 /nfs/dbraw/zinc/84/32/16/607843216.db2.gz BJFTWBUFUMBHNI-CYBMUJFWSA-N -1 3 350.806 3.485 20 0 FGADHM O[C@H](CSc1ccc(-c2nn[n-]n2)cc1Cl)c1ccccc1F ZINC000826504695 607843217 /nfs/dbraw/zinc/84/32/17/607843217.db2.gz BJFTWBUFUMBHNI-CYBMUJFWSA-N -1 3 350.806 3.485 20 0 FGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1Cl)NC1CCCCCC1 ZINC000826420850 607844148 /nfs/dbraw/zinc/84/41/48/607844148.db2.gz FXYOOJYXNAKLCL-UHFFFAOYSA-N -1 3 365.890 3.451 20 0 FGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1Cl)NC1CCCCCC1 ZINC000826420850 607844149 /nfs/dbraw/zinc/84/41/49/607844149.db2.gz FXYOOJYXNAKLCL-UHFFFAOYSA-N -1 3 365.890 3.451 20 0 FGADHM COCCN(C(=O)c1cccc(C)c1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000826158078 607861194 /nfs/dbraw/zinc/86/11/94/607861194.db2.gz YYOCDUOWDMMWEP-UHFFFAOYSA-N -1 3 371.828 3.122 20 0 FGADHM COCCN(C(=O)c1cccc(C)c1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000826158078 607861195 /nfs/dbraw/zinc/86/11/95/607861195.db2.gz YYOCDUOWDMMWEP-UHFFFAOYSA-N -1 3 371.828 3.122 20 0 FGADHM CCN(C(=O)CSC(C)(C)C)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825370964 607877820 /nfs/dbraw/zinc/87/78/20/607877820.db2.gz AATLWKOZHVSCMX-UHFFFAOYSA-N -1 3 353.879 3.405 20 0 FGADHM CCN(C(=O)CSC(C)(C)C)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825370964 607877821 /nfs/dbraw/zinc/87/78/21/607877821.db2.gz AATLWKOZHVSCMX-UHFFFAOYSA-N -1 3 353.879 3.405 20 0 FGADHM CCN(C(=O)c1cccnc1Cl)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825385252 607878051 /nfs/dbraw/zinc/87/80/51/607878051.db2.gz AODNKWBTKCNORJ-UHFFFAOYSA-N -1 3 363.208 3.235 20 0 FGADHM CCN(C(=O)c1cccnc1Cl)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825385252 607878052 /nfs/dbraw/zinc/87/80/52/607878052.db2.gz AODNKWBTKCNORJ-UHFFFAOYSA-N -1 3 363.208 3.235 20 0 FGADHM C[C@@H](OC(=O)c1csc([C@@H]2CCCO2)n1)c1cccc(-c2nnn[n-]2)c1 ZINC000824729856 607923246 /nfs/dbraw/zinc/92/32/46/607923246.db2.gz LNRGCSFMEZMLAN-YGRLFVJLSA-N -1 3 371.422 3.093 20 0 FGADHM C[C@@H](OC(=O)c1csc([C@@H]2CCCO2)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000824729856 607923247 /nfs/dbraw/zinc/92/32/47/607923247.db2.gz LNRGCSFMEZMLAN-YGRLFVJLSA-N -1 3 371.422 3.093 20 0 FGADHM Cc1ccc([C@@H]2C[C@H](OC(=O)c3cccc(-c4nnn[n-]4)c3)CCO2)cc1 ZINC000826285106 607948734 /nfs/dbraw/zinc/94/87/34/607948734.db2.gz PPTWTLQFEXFMRU-MSOLQXFVSA-N -1 3 364.405 3.252 20 0 FGADHM Cc1ccc([C@@H]2C[C@H](OC(=O)c3cccc(-c4nn[n-]n4)c3)CCO2)cc1 ZINC000826285106 607948735 /nfs/dbraw/zinc/94/87/35/607948735.db2.gz PPTWTLQFEXFMRU-MSOLQXFVSA-N -1 3 364.405 3.252 20 0 FGADHM CC(C)COc1ccccc1C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000824271936 607950786 /nfs/dbraw/zinc/95/07/86/607950786.db2.gz RWADDTTVDCZQKT-UHFFFAOYSA-N -1 3 363.421 3.104 20 0 FGADHM CC(C)COc1ccccc1C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000824271936 607950787 /nfs/dbraw/zinc/95/07/87/607950787.db2.gz RWADDTTVDCZQKT-UHFFFAOYSA-N -1 3 363.421 3.104 20 0 FGADHM Cc1ccc(SCC(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)c(C)c1 ZINC000826292955 607952456 /nfs/dbraw/zinc/95/24/56/607952456.db2.gz UUJVBNXKYWBCKI-UHFFFAOYSA-N -1 3 365.462 3.165 20 0 FGADHM Cc1ccc(SCC(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)c(C)c1 ZINC000826292955 607952457 /nfs/dbraw/zinc/95/24/57/607952457.db2.gz UUJVBNXKYWBCKI-UHFFFAOYSA-N -1 3 365.462 3.165 20 0 FGADHM O=C(c1cc2c(s1)CCCC2)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826470689 607954734 /nfs/dbraw/zinc/95/47/34/607954734.db2.gz YSWIEPPSSCSFFA-UHFFFAOYSA-N -1 3 351.435 3.010 20 0 FGADHM O=C(c1cc2c(s1)CCCC2)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826470689 607954735 /nfs/dbraw/zinc/95/47/35/607954735.db2.gz YSWIEPPSSCSFFA-UHFFFAOYSA-N -1 3 351.435 3.010 20 0 FGADHM CCC(=O)c1cc(C(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)ccc1F ZINC000825034417 607960991 /nfs/dbraw/zinc/96/09/91/607960991.db2.gz KCAFZMKQJGBGMK-UHFFFAOYSA-N -1 3 372.331 3.095 20 0 FGADHM CCC(=O)c1cc(C(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)ccc1F ZINC000825034417 607960992 /nfs/dbraw/zinc/96/09/92/607960992.db2.gz KCAFZMKQJGBGMK-UHFFFAOYSA-N -1 3 372.331 3.095 20 0 FGADHM COc1ccc(COc2cccc(NC(=O)C(C)C)c2)cc1-c1nnn[n-]1 ZINC000826207212 607972577 /nfs/dbraw/zinc/97/25/77/607972577.db2.gz FHUCUGGOJXRXBI-UHFFFAOYSA-N -1 3 367.409 3.049 20 0 FGADHM COc1ccc(COc2cccc(NC(=O)C(C)C)c2)cc1-c1nn[n-]n1 ZINC000826207212 607972578 /nfs/dbraw/zinc/97/25/78/607972578.db2.gz FHUCUGGOJXRXBI-UHFFFAOYSA-N -1 3 367.409 3.049 20 0 FGADHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1NC(=O)c1cnco1 ZINC000826272069 607978681 /nfs/dbraw/zinc/97/86/81/607978681.db2.gz SQQCGFPUGKLEND-UHFFFAOYSA-N -1 3 362.349 3.208 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1cnc2ccc(F)cc2c1 ZINC000826453052 608006396 /nfs/dbraw/zinc/00/63/96/608006396.db2.gz TXIMNDXEWIPCGC-UHFFFAOYSA-N -1 3 368.759 3.460 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1cnc2ccc(F)cc2c1 ZINC000826453052 608006397 /nfs/dbraw/zinc/00/63/97/608006397.db2.gz TXIMNDXEWIPCGC-UHFFFAOYSA-N -1 3 368.759 3.460 20 0 FGADHM Cc1ncc(CCNc2ccc(-c3nn[n-]n3)cc2Br)s1 ZINC000826329388 608051347 /nfs/dbraw/zinc/05/13/47/608051347.db2.gz ANJZXACZTANOSX-UHFFFAOYSA-N -1 3 365.260 3.049 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cccc([C@@H]2CCOC2)c1 ZINC000826452034 608059377 /nfs/dbraw/zinc/05/93/77/608059377.db2.gz FXKKFDHBHSIFBG-CYBMUJFWSA-N -1 3 369.812 3.276 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cccc([C@@H]2CCOC2)c1 ZINC000826452034 608059378 /nfs/dbraw/zinc/05/93/78/608059378.db2.gz FXKKFDHBHSIFBG-CYBMUJFWSA-N -1 3 369.812 3.276 20 0 FGADHM C[C@H](c1cccc(F)c1)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824770353 608068412 /nfs/dbraw/zinc/06/84/12/608068412.db2.gz JHWPVMINSKQUEV-FZKQIMNGSA-N -1 3 353.401 3.140 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)c1cccc([C@H]2CCOC2)c1 ZINC000826254336 608072908 /nfs/dbraw/zinc/07/29/08/608072908.db2.gz GWDMLRUHHZVIJA-SFHVURJKSA-N -1 3 364.405 3.036 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)c1cccc([C@H]2CCOC2)c1 ZINC000826254336 608072909 /nfs/dbraw/zinc/07/29/09/608072909.db2.gz GWDMLRUHHZVIJA-SFHVURJKSA-N -1 3 364.405 3.036 20 0 FGADHM O=C(CCC1CCCCC1)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826405688 608080506 /nfs/dbraw/zinc/08/05/06/608080506.db2.gz PPOWSLWEYUDHDQ-SFHVURJKSA-N -1 3 369.469 3.127 20 0 FGADHM O=C(CCC1CCCCC1)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826405688 608080507 /nfs/dbraw/zinc/08/05/07/608080507.db2.gz PPOWSLWEYUDHDQ-SFHVURJKSA-N -1 3 369.469 3.127 20 0 FGADHM C[C@@H]1CCc2ccccc2[C@H]1NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000824970427 608102605 /nfs/dbraw/zinc/10/26/05/608102605.db2.gz XETKCTQYEWKVKC-HPGDKBMHSA-N -1 3 359.433 3.320 20 0 FGADHM C[C@@H]1CCc2ccccc2[C@H]1NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000824970427 608102606 /nfs/dbraw/zinc/10/26/06/608102606.db2.gz XETKCTQYEWKVKC-HPGDKBMHSA-N -1 3 359.433 3.320 20 0 FGADHM C[C@@H](NC(=O)[C@H](C)c1c(F)cccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000824470608 608115137 /nfs/dbraw/zinc/11/51/37/608115137.db2.gz KDBXCYIBMGDASX-GHMZBOCLSA-N -1 3 357.364 3.126 20 0 FGADHM C[C@@H](NC(=O)[C@H](C)c1c(F)cccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000824470608 608115138 /nfs/dbraw/zinc/11/51/38/608115138.db2.gz KDBXCYIBMGDASX-GHMZBOCLSA-N -1 3 357.364 3.126 20 0 FGADHM CCC[C@@H](C(=O)OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)C(C)C ZINC000825224689 608117317 /nfs/dbraw/zinc/11/73/17/608117317.db2.gz BHMSTHZIGZKHHD-CQSZACIVSA-N -1 3 370.413 3.032 20 0 FGADHM CCC[C@@H](C(=O)OCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)C(C)C ZINC000825224689 608117318 /nfs/dbraw/zinc/11/73/18/608117318.db2.gz BHMSTHZIGZKHHD-CQSZACIVSA-N -1 3 370.413 3.032 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)OCCCc1ccccc1Cl ZINC000826423521 608147303 /nfs/dbraw/zinc/14/73/03/608147303.db2.gz SWMCCQPNHLZEKC-UHFFFAOYSA-N -1 3 356.813 3.239 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)OCCCc1ccccc1Cl ZINC000826423521 608147304 /nfs/dbraw/zinc/14/73/04/608147304.db2.gz SWMCCQPNHLZEKC-UHFFFAOYSA-N -1 3 356.813 3.239 20 0 FGADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1)C1(Cc2ccc(Cl)cc2)CC1 ZINC000826468310 608149824 /nfs/dbraw/zinc/14/98/24/608149824.db2.gz KYCYUOYTJGAGSW-UHFFFAOYSA-N -1 3 354.797 3.448 20 0 FGADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1)C1(Cc2ccc(Cl)cc2)CC1 ZINC000826468310 608149826 /nfs/dbraw/zinc/14/98/26/608149826.db2.gz KYCYUOYTJGAGSW-UHFFFAOYSA-N -1 3 354.797 3.448 20 0 FGADHM Fc1ccc(-c2nnn[n-]2)c(CSCc2ncn(-c3ccccc3)n2)c1 ZINC000826373416 608156100 /nfs/dbraw/zinc/15/61/00/608156100.db2.gz LIZZXCKJBCMGAW-UHFFFAOYSA-N -1 3 367.413 3.020 20 0 FGADHM Fc1ccc(-c2nn[n-]n2)c(CSCc2ncn(-c3ccccc3)n2)c1 ZINC000826373416 608156102 /nfs/dbraw/zinc/15/61/02/608156102.db2.gz LIZZXCKJBCMGAW-UHFFFAOYSA-N -1 3 367.413 3.020 20 0 FGADHM c1cc(-c2nnn[n-]2)ccc1CNc1ccc(-c2n[nH]c(C3CC3)n2)cc1 ZINC000826514332 608161106 /nfs/dbraw/zinc/16/11/06/608161106.db2.gz OFALTSRQPCKWME-UHFFFAOYSA-N -1 3 358.409 3.141 20 0 FGADHM c1cc(-c2nn[n-]n2)ccc1CNc1ccc(-c2n[nH]c(C3CC3)n2)cc1 ZINC000826514332 608161108 /nfs/dbraw/zinc/16/11/08/608161108.db2.gz OFALTSRQPCKWME-UHFFFAOYSA-N -1 3 358.409 3.141 20 0 FGADHM O=C(CCCC(F)(F)F)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826405396 608163899 /nfs/dbraw/zinc/16/38/99/608163899.db2.gz DINDITUZJVCVAO-UHFFFAOYSA-N -1 3 365.359 3.215 20 0 FGADHM O=C(CCCC(F)(F)F)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826405396 608163901 /nfs/dbraw/zinc/16/39/01/608163901.db2.gz DINDITUZJVCVAO-UHFFFAOYSA-N -1 3 365.359 3.215 20 0 FGADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)c1cccc(Cl)c1 ZINC000825796357 608177773 /nfs/dbraw/zinc/17/77/73/608177773.db2.gz DFVVVIYNALSZTC-UHFFFAOYSA-N -1 3 367.800 3.142 20 0 FGADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)c1cccc(Cl)c1 ZINC000825796357 608177775 /nfs/dbraw/zinc/17/77/75/608177775.db2.gz DFVVVIYNALSZTC-UHFFFAOYSA-N -1 3 367.800 3.142 20 0 FGADHM CC(C)(C)[C@@H](O)C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000824072237 608194742 /nfs/dbraw/zinc/19/47/42/608194742.db2.gz UPTSQAGGIFBIEP-INIZCTEOSA-N -1 3 367.409 3.005 20 0 FGADHM CC(C)(C)[C@@H](O)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000824072237 608194744 /nfs/dbraw/zinc/19/47/44/608194744.db2.gz UPTSQAGGIFBIEP-INIZCTEOSA-N -1 3 367.409 3.005 20 0 FGADHM CCCCNc1ccccc1C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000825291335 608205037 /nfs/dbraw/zinc/20/50/37/608205037.db2.gz PODJEYLYMNUQIY-UHFFFAOYSA-N -1 3 362.437 3.282 20 0 FGADHM CCCCNc1ccccc1C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000825291335 608205038 /nfs/dbraw/zinc/20/50/38/608205038.db2.gz PODJEYLYMNUQIY-UHFFFAOYSA-N -1 3 362.437 3.282 20 0 FGADHM C[C@@H]1CCCCN1C(=O)CSc1cccc(Cl)c1-c1nnn[n-]1 ZINC000824936600 608206008 /nfs/dbraw/zinc/20/60/08/608206008.db2.gz KCNDIVDSILVOIZ-SNVBAGLBSA-N -1 3 351.863 3.013 20 0 FGADHM C[C@@H]1CCCCN1C(=O)CSc1cccc(Cl)c1-c1nn[n-]n1 ZINC000824936600 608206010 /nfs/dbraw/zinc/20/60/10/608206010.db2.gz KCNDIVDSILVOIZ-SNVBAGLBSA-N -1 3 351.863 3.013 20 0 FGADHM Cc1ccncc1[C@@H](C)NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000826314703 608209620 /nfs/dbraw/zinc/20/96/20/608209620.db2.gz JJQVFNLKGONRCZ-SNVBAGLBSA-N -1 3 357.805 3.106 20 0 FGADHM Cc1ccncc1[C@@H](C)NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000826314703 608209622 /nfs/dbraw/zinc/20/96/22/608209622.db2.gz JJQVFNLKGONRCZ-SNVBAGLBSA-N -1 3 357.805 3.106 20 0 FGADHM CC(C)CN(C(=O)C=C1CCSCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824249598 608219215 /nfs/dbraw/zinc/21/92/15/608219215.db2.gz PRVTZKXWFZIWMI-UHFFFAOYSA-N -1 3 357.483 3.309 20 0 FGADHM CC(C)CN(C(=O)C=C1CCSCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824249598 608219217 /nfs/dbraw/zinc/21/92/17/608219217.db2.gz PRVTZKXWFZIWMI-UHFFFAOYSA-N -1 3 357.483 3.309 20 0 FGADHM CN(Cc1ccc(F)cc1F)c1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000825965690 608221979 /nfs/dbraw/zinc/22/19/79/608221979.db2.gz CGLLJZOCBCQQIN-UHFFFAOYSA-N -1 3 352.348 3.330 20 0 FGADHM CN(Cc1ccc(F)cc1F)c1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000825965690 608221981 /nfs/dbraw/zinc/22/19/81/608221981.db2.gz CGLLJZOCBCQQIN-UHFFFAOYSA-N -1 3 352.348 3.330 20 0 FGADHM Fc1ccccc1OCCNc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000826378348 608222228 /nfs/dbraw/zinc/22/22/28/608222228.db2.gz FYSYHLGOPOVBBZ-UHFFFAOYSA-N -1 3 350.357 3.045 20 0 FGADHM Fc1ccccc1OCCNc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000826378348 608222230 /nfs/dbraw/zinc/22/22/30/608222230.db2.gz FYSYHLGOPOVBBZ-UHFFFAOYSA-N -1 3 350.357 3.045 20 0 FGADHM c1cc2nc(N3CCC(OC4CCCC4)CC3)ccc2cc1-c1nnn[n-]1 ZINC000826518402 608225792 /nfs/dbraw/zinc/22/57/92/608225792.db2.gz MLMOZCOVZVXGDR-UHFFFAOYSA-N -1 3 364.453 3.343 20 0 FGADHM c1cc2nc(N3CCC(OC4CCCC4)CC3)ccc2cc1-c1nn[n-]n1 ZINC000826518402 608225795 /nfs/dbraw/zinc/22/57/95/608225795.db2.gz MLMOZCOVZVXGDR-UHFFFAOYSA-N -1 3 364.453 3.343 20 0 FGADHM Clc1cc(-c2nnn[n-]2)cnc1N[C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000826351013 608238779 /nfs/dbraw/zinc/23/87/79/608238779.db2.gz UEVNZSPTFMKQEN-IUODEOHRSA-N -1 3 356.817 3.105 20 0 FGADHM Clc1cc(-c2nn[n-]n2)cnc1N[C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000826351013 608238781 /nfs/dbraw/zinc/23/87/81/608238781.db2.gz UEVNZSPTFMKQEN-IUODEOHRSA-N -1 3 356.817 3.105 20 0 FGADHM CCc1cccnc1C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000825728723 608263659 /nfs/dbraw/zinc/26/36/59/608263659.db2.gz XKULRUIXMBIYPW-UHFFFAOYSA-N -1 3 368.466 3.407 20 0 FGADHM CCc1cccnc1C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000825728723 608263661 /nfs/dbraw/zinc/26/36/61/608263661.db2.gz XKULRUIXMBIYPW-UHFFFAOYSA-N -1 3 368.466 3.407 20 0 FGADHM CC[C@H]1CC[C@H](C)N1C(=O)NCCSCc1ccccc1-c1nnn[n-]1 ZINC000825193651 608269525 /nfs/dbraw/zinc/26/95/25/608269525.db2.gz MJBIAMCWIHGCGD-ZFWWWQNUSA-N -1 3 374.514 3.072 20 0 FGADHM CC[C@H]1CC[C@H](C)N1C(=O)NCCSCc1ccccc1-c1nn[n-]n1 ZINC000825193651 608269527 /nfs/dbraw/zinc/26/95/27/608269527.db2.gz MJBIAMCWIHGCGD-ZFWWWQNUSA-N -1 3 374.514 3.072 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)c(NCCc2ccc(Br)s2)n1 ZINC000826276793 608271444 /nfs/dbraw/zinc/27/14/44/608271444.db2.gz XKRVIYVMFHFRPW-UHFFFAOYSA-N -1 3 365.260 3.049 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)c(NCCc2ccc(Br)s2)n1 ZINC000826276793 608271445 /nfs/dbraw/zinc/27/14/45/608271445.db2.gz XKRVIYVMFHFRPW-UHFFFAOYSA-N -1 3 365.260 3.049 20 0 FGADHM CCOCc1ccccc1CNc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC000825604339 608272469 /nfs/dbraw/zinc/27/24/69/608272469.db2.gz HTLVEKJOAQXVRW-UHFFFAOYSA-N -1 3 364.453 3.289 20 0 FGADHM CCOCc1ccccc1CNc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC000825604339 608272471 /nfs/dbraw/zinc/27/24/71/608272471.db2.gz HTLVEKJOAQXVRW-UHFFFAOYSA-N -1 3 364.453 3.289 20 0 FGADHM COc1cc(C)c([C@@H](C)Nc2nc(C)ccc2-c2nnn[n-]2)cc1OC ZINC000826178125 608274146 /nfs/dbraw/zinc/27/41/46/608274146.db2.gz LCIKEHGAZRXXBD-GFCCVEGCSA-N -1 3 354.414 3.069 20 0 FGADHM COc1cc(C)c([C@@H](C)Nc2nc(C)ccc2-c2nn[n-]n2)cc1OC ZINC000826178125 608274149 /nfs/dbraw/zinc/27/41/49/608274149.db2.gz LCIKEHGAZRXXBD-GFCCVEGCSA-N -1 3 354.414 3.069 20 0 FGADHM Fc1cccc([C@@H]2CCN(c3nc4c(cc3-c3nnn[n-]3)CCCC4)C2)c1 ZINC000826376403 608284106 /nfs/dbraw/zinc/28/41/06/608284106.db2.gz CHLWGAFGYMMJJQ-OAHLLOKOSA-N -1 3 364.428 3.274 20 0 FGADHM Fc1cccc([C@@H]2CCN(c3nc4c(cc3-c3nn[n-]n3)CCCC4)C2)c1 ZINC000826376403 608284107 /nfs/dbraw/zinc/28/41/07/608284107.db2.gz CHLWGAFGYMMJJQ-OAHLLOKOSA-N -1 3 364.428 3.274 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)c(N[C@@H](C)c2nc3cc(Cl)ccc3[nH]2)n1 ZINC000826274993 608286802 /nfs/dbraw/zinc/28/68/02/608286802.db2.gz KYULLHABPDUTCD-VIFPVBQESA-N -1 3 354.805 3.273 20 0 FGADHM COc1c(C)cc(C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)cc1C ZINC000826167261 608291378 /nfs/dbraw/zinc/29/13/78/608291378.db2.gz WIDPPFLHNSGZID-UHFFFAOYSA-N -1 3 357.801 3.398 20 0 FGADHM COc1c(C)cc(C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)cc1C ZINC000826167261 608291380 /nfs/dbraw/zinc/29/13/80/608291380.db2.gz WIDPPFLHNSGZID-UHFFFAOYSA-N -1 3 357.801 3.398 20 0 FGADHM Cc1c2c(nc(SCc3cnoc3C3CC3)c1-c1nnn[n-]1)CCC2 ZINC000826242927 608291490 /nfs/dbraw/zinc/29/14/90/608291490.db2.gz MJRMVVKDQZQRPF-UHFFFAOYSA-N -1 3 354.439 3.217 20 0 FGADHM Cc1c2c(nc(SCc3cnoc3C3CC3)c1-c1nn[n-]n1)CCC2 ZINC000826242927 608291492 /nfs/dbraw/zinc/29/14/92/608291492.db2.gz MJRMVVKDQZQRPF-UHFFFAOYSA-N -1 3 354.439 3.217 20 0 FGADHM Cc1noc([C@@H](C)NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)n1 ZINC000826338454 608291900 /nfs/dbraw/zinc/29/19/00/608291900.db2.gz WBLCSWOEMRWJDL-GFCCVEGCSA-N -1 3 361.409 3.076 20 0 FGADHM Cc1noc([C@@H](C)NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)n1 ZINC000826338454 608291902 /nfs/dbraw/zinc/29/19/02/608291902.db2.gz WBLCSWOEMRWJDL-GFCCVEGCSA-N -1 3 361.409 3.076 20 0 FGADHM O=C(CCc1ccoc1)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000826408944 608304585 /nfs/dbraw/zinc/30/45/85/608304585.db2.gz AUDUZCNSWVZZLV-UHFFFAOYSA-N -1 3 373.416 3.376 20 0 FGADHM O=C(CCc1ccoc1)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000826408944 608304586 /nfs/dbraw/zinc/30/45/86/608304586.db2.gz AUDUZCNSWVZZLV-UHFFFAOYSA-N -1 3 373.416 3.376 20 0 FGADHM O=C(NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)[C@@H]1CCCS1 ZINC000826440779 608306067 /nfs/dbraw/zinc/30/60/67/608306067.db2.gz ZXYNBEKDWKOJND-KRWDZBQOSA-N -1 3 365.462 3.046 20 0 FGADHM O=C(NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)[C@@H]1CCCS1 ZINC000826440779 608306068 /nfs/dbraw/zinc/30/60/68/608306068.db2.gz ZXYNBEKDWKOJND-KRWDZBQOSA-N -1 3 365.462 3.046 20 0 FGADHM C(=Cc1ccncn1)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000823861409 608317713 /nfs/dbraw/zinc/31/77/13/608317713.db2.gz HJGPNHQHPUHGGR-HJWRWDBZSA-N -1 3 356.389 3.406 20 0 FGADHM C(=Cc1ccncn1)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000823861409 608317715 /nfs/dbraw/zinc/31/77/15/608317715.db2.gz HJGPNHQHPUHGGR-HJWRWDBZSA-N -1 3 356.389 3.406 20 0 FGADHM CS[C@@H](C)CCC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826225814 608322138 /nfs/dbraw/zinc/32/21/38/608322138.db2.gz LNQHDTRGOHLECO-ZDUSSCGKSA-N -1 3 357.483 3.014 20 0 FGADHM CS[C@@H](C)CCC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826225814 608322140 /nfs/dbraw/zinc/32/21/40/608322140.db2.gz LNQHDTRGOHLECO-ZDUSSCGKSA-N -1 3 357.483 3.014 20 0 FGADHM CSC[C@H](C)C(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000826227091 608329621 /nfs/dbraw/zinc/32/96/21/608329621.db2.gz LNOAZCUZFNEXAV-ZDUSSCGKSA-N -1 3 367.478 3.149 20 0 FGADHM CSC[C@H](C)C(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000826227091 608329623 /nfs/dbraw/zinc/32/96/23/608329623.db2.gz LNOAZCUZFNEXAV-ZDUSSCGKSA-N -1 3 367.478 3.149 20 0 FGADHM CC(C)(C)c1cc(NC(=O)C=CC2CCOCC2)c(-c2nnn[n-]2)s1 ZINC000824129669 608349259 /nfs/dbraw/zinc/34/92/59/608349259.db2.gz DPERMKKVVRKCLT-PLNGDYQASA-N -1 3 361.471 3.147 20 0 FGADHM CC(C)(C)c1cc(NC(=O)C=CC2CCOCC2)c(-c2nn[n-]n2)s1 ZINC000824129669 608349261 /nfs/dbraw/zinc/34/92/61/608349261.db2.gz DPERMKKVVRKCLT-PLNGDYQASA-N -1 3 361.471 3.147 20 0 FGADHM CC(C)(C)c1cc(NC(=O)/C=C\C2CCOCC2)c(-c2nn[n-]n2)s1 ZINC000824129669 608349263 /nfs/dbraw/zinc/34/92/63/608349263.db2.gz DPERMKKVVRKCLT-PLNGDYQASA-N -1 3 361.471 3.147 20 0 FGADHM CCN(Cc1ccc(-c2nnn[n-]2)cc1OC)Cc1c(F)cccc1F ZINC000825428729 608357500 /nfs/dbraw/zinc/35/75/00/608357500.db2.gz SNBVWQIDPDKAIW-UHFFFAOYSA-N -1 3 359.380 3.176 20 0 FGADHM CCN(Cc1ccc(-c2nn[n-]n2)cc1OC)Cc1c(F)cccc1F ZINC000825428729 608357502 /nfs/dbraw/zinc/35/75/02/608357502.db2.gz SNBVWQIDPDKAIW-UHFFFAOYSA-N -1 3 359.380 3.176 20 0 FGADHM c1[nH]c(CNc2cc(-c3nnn[n-]3)nc3ccccc32)nc1-c1ccccc1 ZINC000826518902 608376809 /nfs/dbraw/zinc/37/68/09/608376809.db2.gz BWUIONJZXCPKOP-UHFFFAOYSA-N -1 3 368.404 3.417 20 0 FGADHM Oc1cccc2c1CC[C@H]2Nc1ccc(-c2nn[n-]n2)cc1Br ZINC000826511108 608381303 /nfs/dbraw/zinc/38/13/03/608381303.db2.gz CGCVBQVCOIEVAP-CYBMUJFWSA-N -1 3 372.226 3.434 20 0 FGADHM COC(=O)[C@@H](N[C@@H](C)c1ccccc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000736898716 608391093 /nfs/dbraw/zinc/39/10/93/608391093.db2.gz WJUWMVUZDKZSDA-ZBEGNZNMSA-N -1 3 371.828 3.085 20 0 FGADHM COC(=O)[C@@H](N[C@@H](C)c1ccccc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000736898716 608391095 /nfs/dbraw/zinc/39/10/95/608391095.db2.gz WJUWMVUZDKZSDA-ZBEGNZNMSA-N -1 3 371.828 3.085 20 0 FGADHM CC[C@@H](C)[C@@H](C)NC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000825059458 608397937 /nfs/dbraw/zinc/39/79/37/608397937.db2.gz FPGYVCLSSDAUSO-ZIAGYGMSSA-N -1 3 354.458 3.100 20 0 FGADHM CC[C@@H](C)[C@@H](C)NC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825059458 608397939 /nfs/dbraw/zinc/39/79/39/608397939.db2.gz FPGYVCLSSDAUSO-ZIAGYGMSSA-N -1 3 354.458 3.100 20 0 FGADHM CC[C@H](N[C@@H](C(=O)OC)c1cccc(-c2nnn[n-]2)c1)c1ccc(C)cc1 ZINC000825141030 608425961 /nfs/dbraw/zinc/42/59/61/608425961.db2.gz MSXMIJNVTLIGSG-ZWKOTPCHSA-N -1 3 365.437 3.130 20 0 FGADHM CC[C@H](N[C@@H](C(=O)OC)c1cccc(-c2nn[n-]n2)c1)c1ccc(C)cc1 ZINC000825141030 608425962 /nfs/dbraw/zinc/42/59/62/608425962.db2.gz MSXMIJNVTLIGSG-ZWKOTPCHSA-N -1 3 365.437 3.130 20 0 FGADHM CCc1ccc(NC(=O)COc2cccc(-c3nnn[n-]3)c2)cc1CC ZINC000825711830 608430944 /nfs/dbraw/zinc/43/09/44/608430944.db2.gz HBNFHUQCXYRVCM-UHFFFAOYSA-N -1 3 351.410 3.009 20 0 FGADHM CCc1ccc(NC(=O)COc2cccc(-c3nn[n-]n3)c2)cc1CC ZINC000825711830 608430945 /nfs/dbraw/zinc/43/09/45/608430945.db2.gz HBNFHUQCXYRVCM-UHFFFAOYSA-N -1 3 351.410 3.009 20 0 FGADHM Cc1ccc(OCCCC(=O)OCc2cccc(-c3nnn[n-]3)c2F)cc1 ZINC000826291902 608434831 /nfs/dbraw/zinc/43/48/31/608434831.db2.gz AQVKESDGBYWYIJ-UHFFFAOYSA-N -1 3 370.384 3.217 20 0 FGADHM Cc1ccc(OCCCC(=O)OCc2cccc(-c3nn[n-]n3)c2F)cc1 ZINC000826291902 608434833 /nfs/dbraw/zinc/43/48/33/608434833.db2.gz AQVKESDGBYWYIJ-UHFFFAOYSA-N -1 3 370.384 3.217 20 0 FGADHM Cc1cc(C)cc(OCCC(=O)OCc2cccc(-c3nnn[n-]3)c2F)c1 ZINC000826265222 608441163 /nfs/dbraw/zinc/44/11/63/608441163.db2.gz QJXGUXWVXIVNEB-UHFFFAOYSA-N -1 3 370.384 3.135 20 0 FGADHM Cc1cc(C)cc(OCCC(=O)OCc2cccc(-c3nn[n-]n3)c2F)c1 ZINC000826265222 608441164 /nfs/dbraw/zinc/44/11/64/608441164.db2.gz QJXGUXWVXIVNEB-UHFFFAOYSA-N -1 3 370.384 3.135 20 0 FGADHM CCCCCn1cc(CNc2ncc(-c3nnn[n-]3)cc2Cl)c(C)n1 ZINC000825282468 608443836 /nfs/dbraw/zinc/44/38/36/608443836.db2.gz SXGHDKVDMSLPRT-UHFFFAOYSA-N -1 3 360.853 3.222 20 0 FGADHM CCCCCn1cc(CNc2ncc(-c3nn[n-]n3)cc2Cl)c(C)n1 ZINC000825282468 608443837 /nfs/dbraw/zinc/44/38/37/608443837.db2.gz SXGHDKVDMSLPRT-UHFFFAOYSA-N -1 3 360.853 3.222 20 0 FGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000826465814 608450032 /nfs/dbraw/zinc/45/00/32/608450032.db2.gz DRPDMBWTDUOSRZ-OLZOCXBDSA-N -1 3 374.322 3.131 20 0 FGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000826465814 608450034 /nfs/dbraw/zinc/45/00/34/608450034.db2.gz DRPDMBWTDUOSRZ-OLZOCXBDSA-N -1 3 374.322 3.131 20 0 FGADHM C[C@H](OC1CCCCCC1)C(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000824731489 608451069 /nfs/dbraw/zinc/45/10/69/608451069.db2.gz WCZOKWYYXVQHPJ-LBPRGKRZSA-N -1 3 362.405 3.177 20 0 FGADHM C[C@H](OC1CCCCCC1)C(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000824731489 608451073 /nfs/dbraw/zinc/45/10/73/608451073.db2.gz WCZOKWYYXVQHPJ-LBPRGKRZSA-N -1 3 362.405 3.177 20 0 FGADHM C[C@@H](NCc1cc(-c2cccs2)on1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824604734 608460836 /nfs/dbraw/zinc/46/08/36/608460836.db2.gz DLVYZTBBOVZAHX-LLVKDONJSA-N -1 3 352.423 3.434 20 0 FGADHM Cc1cccc(CCC(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000826297781 608478480 /nfs/dbraw/zinc/47/84/80/608478480.db2.gz SCQGVMIQRPPKMS-UHFFFAOYSA-N -1 3 373.460 3.424 20 0 FGADHM Cc1cccc(CCC(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000826297781 608478481 /nfs/dbraw/zinc/47/84/81/608478481.db2.gz SCQGVMIQRPPKMS-UHFFFAOYSA-N -1 3 373.460 3.424 20 0 FGADHM Cc1cc(F)cc(C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000826268362 608478617 /nfs/dbraw/zinc/47/86/17/608478617.db2.gz UGCMSILRNBQCRH-UHFFFAOYSA-N -1 3 363.396 3.244 20 0 FGADHM Cc1cc(F)cc(C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000826268362 608478619 /nfs/dbraw/zinc/47/86/19/608478619.db2.gz UGCMSILRNBQCRH-UHFFFAOYSA-N -1 3 363.396 3.244 20 0 FGADHM C[C@H](NCc1ccn(-c2ccc(F)cc2)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000824627653 608486355 /nfs/dbraw/zinc/48/63/55/608486355.db2.gz ZVERTVQQVNCTFC-ZDUSSCGKSA-N -1 3 363.400 3.042 20 0 FGADHM C/C(=C\C(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1)C(C)(C)C ZINC000823942759 608486387 /nfs/dbraw/zinc/48/63/87/608486387.db2.gz IWGQKMHFWRMTNA-BUHFOSPRSA-N -1 3 351.454 3.475 20 0 FGADHM C/C(=C\C(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1)C(C)(C)C ZINC000823942759 608486389 /nfs/dbraw/zinc/48/63/89/608486389.db2.gz IWGQKMHFWRMTNA-BUHFOSPRSA-N -1 3 351.454 3.475 20 0 FGADHM O=C(NC[C@H]1CC=CCC1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826434660 608492135 /nfs/dbraw/zinc/49/21/35/608492135.db2.gz UAIRTBJFGMDMCT-HNNXBMFYSA-N -1 3 364.453 3.022 20 0 FGADHM O=C(NC[C@H]1CC=CCC1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826434660 608492136 /nfs/dbraw/zinc/49/21/36/608492136.db2.gz UAIRTBJFGMDMCT-HNNXBMFYSA-N -1 3 364.453 3.022 20 0 FGADHM CC(C)C(NC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1)C(C)C ZINC000824193129 608492680 /nfs/dbraw/zinc/49/26/80/608492680.db2.gz SSSWFFDAHDAXGU-UHFFFAOYSA-N -1 3 368.485 3.346 20 0 FGADHM CC(C)C(NC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1)C(C)C ZINC000824193129 608492681 /nfs/dbraw/zinc/49/26/81/608492681.db2.gz SSSWFFDAHDAXGU-UHFFFAOYSA-N -1 3 368.485 3.346 20 0 FGADHM CC[C@H](OC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1cccc(OC)c1 ZINC000825154542 608499720 /nfs/dbraw/zinc/49/97/20/608499720.db2.gz QGUNGAFMBPFRBD-HNNXBMFYSA-N -1 3 374.347 3.462 20 0 FGADHM CC[C@H](OC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1cccc(OC)c1 ZINC000825154542 608499721 /nfs/dbraw/zinc/49/97/21/608499721.db2.gz QGUNGAFMBPFRBD-HNNXBMFYSA-N -1 3 374.347 3.462 20 0 FGADHM CCc1ccc(NC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1CC ZINC000825712403 608507029 /nfs/dbraw/zinc/50/70/29/608507029.db2.gz QOFBTKJPBXVCHJ-UHFFFAOYSA-N -1 3 368.416 3.452 20 0 FGADHM CCc1ccc(NC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1CC ZINC000825712403 608507031 /nfs/dbraw/zinc/50/70/31/608507031.db2.gz QOFBTKJPBXVCHJ-UHFFFAOYSA-N -1 3 368.416 3.452 20 0 FGADHM O=C(c1ccc(Cl)c(-c2nnn[n-]2)c1)N1CCSc2ccccc21 ZINC000826473253 608574779 /nfs/dbraw/zinc/57/47/79/608574779.db2.gz QDGXIPYVIACYKI-UHFFFAOYSA-N -1 3 357.826 3.273 20 0 FGADHM O=C(c1ccc(Cl)c(-c2nn[n-]n2)c1)N1CCSc2ccccc21 ZINC000826473253 608574781 /nfs/dbraw/zinc/57/47/81/608574781.db2.gz QDGXIPYVIACYKI-UHFFFAOYSA-N -1 3 357.826 3.273 20 0 FGADHM O=C(c1ccc(Cl)c(-c2nnn[n-]2)c1)N(Cc1ccccc1F)C1CC1 ZINC000826472400 608574798 /nfs/dbraw/zinc/57/47/98/608574798.db2.gz JSRNCFSBKYCBCP-UHFFFAOYSA-N -1 3 371.803 3.464 20 0 FGADHM O=C(c1ccc(Cl)c(-c2nn[n-]n2)c1)N(Cc1ccccc1F)C1CC1 ZINC000826472400 608574799 /nfs/dbraw/zinc/57/47/99/608574799.db2.gz JSRNCFSBKYCBCP-UHFFFAOYSA-N -1 3 371.803 3.464 20 0 FGADHM O=C(N[C@@H](c1ccccc1)C1CC1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826427461 608575809 /nfs/dbraw/zinc/57/58/09/608575809.db2.gz QEOSFAVFPWRZEO-INIZCTEOSA-N -1 3 353.813 3.401 20 0 FGADHM O=C(N[C@@H](c1ccccc1)C1CC1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826427461 608575810 /nfs/dbraw/zinc/57/58/10/608575810.db2.gz QEOSFAVFPWRZEO-INIZCTEOSA-N -1 3 353.813 3.401 20 0 FGADHM CCn1c(SCc2cccc(-c3nnn[n-]3)c2F)nnc1-c1ccco1 ZINC000825796559 608668885 /nfs/dbraw/zinc/66/88/85/608668885.db2.gz HLFWBLRRFKBNFA-UHFFFAOYSA-N -1 3 371.401 3.170 20 0 FGADHM CCn1c(SCc2cccc(-c3nn[n-]n3)c2F)nnc1-c1ccco1 ZINC000825796559 608668887 /nfs/dbraw/zinc/66/88/87/608668887.db2.gz HLFWBLRRFKBNFA-UHFFFAOYSA-N -1 3 371.401 3.170 20 0 FGADHM COc1ccc(OCCSCc2cccc(-c3nnn[n-]3)c2F)cc1 ZINC000826211406 608671931 /nfs/dbraw/zinc/67/19/31/608671931.db2.gz BHAXOVVFGCWOMM-UHFFFAOYSA-N -1 3 360.414 3.327 20 0 FGADHM COc1ccc(OCCSCc2cccc(-c3nn[n-]n3)c2F)cc1 ZINC000826211406 608671932 /nfs/dbraw/zinc/67/19/32/608671932.db2.gz BHAXOVVFGCWOMM-UHFFFAOYSA-N -1 3 360.414 3.327 20 0 FGADHM C[C@@H]1CN(Cc2cc(-c3nnn[n-]3)cs2)C[C@@H](c2ccc(F)cc2)O1 ZINC000824984528 608717937 /nfs/dbraw/zinc/71/79/37/608717937.db2.gz LABOQEQNAXKHKL-BZNIZROVSA-N -1 3 359.430 3.029 20 0 FGADHM C[C@@H]1CN(Cc2cc(-c3nn[n-]n3)cs2)C[C@@H](c2ccc(F)cc2)O1 ZINC000824984528 608717940 /nfs/dbraw/zinc/71/79/40/608717940.db2.gz LABOQEQNAXKHKL-BZNIZROVSA-N -1 3 359.430 3.029 20 0 FGADHM Clc1ccccc1O[C@H]1CCN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC000826353514 608745496 /nfs/dbraw/zinc/74/54/96/608745496.db2.gz SFONAMFUQGVOOM-NSHDSACASA-N -1 3 361.858 3.235 20 0 FGADHM CCc1ccc(NC(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)cc1C ZINC000825712993 608764064 /nfs/dbraw/zinc/76/40/64/608764064.db2.gz YSTGPOXLSANNJS-ZDUSSCGKSA-N -1 3 351.410 3.144 20 0 FGADHM CCc1ccc(NC(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)cc1C ZINC000825712993 608764068 /nfs/dbraw/zinc/76/40/68/608764068.db2.gz YSTGPOXLSANNJS-ZDUSSCGKSA-N -1 3 351.410 3.144 20 0 FGADHM COc1ccc2oc([C@H](C)Nc3cnccc3-c3nnn[n-]3)c(C)c2c1 ZINC000826213997 608781378 /nfs/dbraw/zinc/78/13/78/608781378.db2.gz WANDJLJYMAWPCI-NSHDSACASA-N -1 3 350.382 3.498 20 0 FGADHM COc1ccc2oc([C@H](C)Nc3cnccc3-c3nn[n-]n3)c(C)c2c1 ZINC000826213997 608781379 /nfs/dbraw/zinc/78/13/79/608781379.db2.gz WANDJLJYMAWPCI-NSHDSACASA-N -1 3 350.382 3.498 20 0 FGADHM C[C@H](c1ccncc1)N(C)Cc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000824778782 608803457 /nfs/dbraw/zinc/80/34/57/608803457.db2.gz QMSZPQRDSDKAPQ-LLVKDONJSA-N -1 3 360.368 3.056 20 0 FGADHM C[C@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)c1sccc1-c1nnn[n-]1 ZINC000825013812 608825199 /nfs/dbraw/zinc/82/51/99/608825199.db2.gz RWDJQGUNFIOVBQ-UWVGGRQHSA-N -1 3 357.414 3.215 20 0 FGADHM C[C@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)c1sccc1-c1nn[n-]n1 ZINC000825013812 608825203 /nfs/dbraw/zinc/82/52/03/608825203.db2.gz RWDJQGUNFIOVBQ-UWVGGRQHSA-N -1 3 357.414 3.215 20 0 FGADHM CCOc1cc(Cl)ccc1NCc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000825615763 608860181 /nfs/dbraw/zinc/86/01/81/608860181.db2.gz JOLQDAXFWIUTSX-UHFFFAOYSA-N -1 3 369.816 3.179 20 0 FGADHM CCOc1cc(Cl)ccc1NCc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000825615763 608860182 /nfs/dbraw/zinc/86/01/82/608860182.db2.gz JOLQDAXFWIUTSX-UHFFFAOYSA-N -1 3 369.816 3.179 20 0 FGADHM CC(C)Oc1ncccc1CN[C@@H](C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824337778 609132830 /nfs/dbraw/zinc/13/28/30/609132830.db2.gz GPNQSQBLCVDNGV-LBPRGKRZSA-N -1 3 356.405 3.039 20 0 FGADHM CC(C)Oc1ncccc1CN[C@@H](C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824337778 609132831 /nfs/dbraw/zinc/13/28/31/609132831.db2.gz GPNQSQBLCVDNGV-LBPRGKRZSA-N -1 3 356.405 3.039 20 0 FGADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)N1CCC[C@H]1/C=C\c1ccccc1 ZINC000826422180 609138301 /nfs/dbraw/zinc/13/83/01/609138301.db2.gz PDFUSBWGVFSRTB-XGCMIMOYSA-N -1 3 359.433 3.114 20 0 FGADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)N1CCC[C@H]1/C=C\c1ccccc1 ZINC000826422180 609138303 /nfs/dbraw/zinc/13/83/03/609138303.db2.gz PDFUSBWGVFSRTB-XGCMIMOYSA-N -1 3 359.433 3.114 20 0 FGADHM C[C@H](NCc1ccn(-c2ccccc2)n1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824625357 609138355 /nfs/dbraw/zinc/13/83/55/609138355.db2.gz GHMXFMIXKUIZBT-ZDUSSCGKSA-N -1 3 363.400 3.042 20 0 FGADHM C[C@H](NCc1ccn(-c2ccccc2)n1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824625357 609138357 /nfs/dbraw/zinc/13/83/57/609138357.db2.gz GHMXFMIXKUIZBT-ZDUSSCGKSA-N -1 3 363.400 3.042 20 0 FGADHM O=C(Nc1ccc2cccc(Cl)c2n1)c1sccc1-c1nnn[n-]1 ZINC000826456366 609139766 /nfs/dbraw/zinc/13/97/66/609139766.db2.gz ZZQKJRXNTULKRH-UHFFFAOYSA-N -1 3 356.798 3.382 20 0 FGADHM O=C(Nc1ccc2cccc(Cl)c2n1)c1sccc1-c1nn[n-]n1 ZINC000826456366 609139767 /nfs/dbraw/zinc/13/97/67/609139767.db2.gz ZZQKJRXNTULKRH-UHFFFAOYSA-N -1 3 356.798 3.382 20 0 FGADHM CC[C@H](C)[C@H](C)C(=O)OCCOc1c(-c2nnn[n-]2)cnc2ccccc21 ZINC000825059980 609142550 /nfs/dbraw/zinc/14/25/50/609142550.db2.gz MVQWWEAYTMMVCF-STQMWFEESA-N -1 3 369.425 3.019 20 0 FGADHM CC[C@H](C)[C@H](C)C(=O)OCCOc1c(-c2nn[n-]n2)cnc2ccccc21 ZINC000825059980 609142551 /nfs/dbraw/zinc/14/25/51/609142551.db2.gz MVQWWEAYTMMVCF-STQMWFEESA-N -1 3 369.425 3.019 20 0 FGADHM CC[C@@H](SC)C(=O)Nc1c(-c2nnn[n-]2)c(C)c(C)n1-c1ccccc1 ZINC000825159345 609167750 /nfs/dbraw/zinc/16/77/50/609167750.db2.gz NUJMKDIUPRMZTL-CQSZACIVSA-N -1 3 370.482 3.354 20 0 FGADHM CC[C@@H](SC)C(=O)Nc1c(-c2nn[n-]n2)c(C)c(C)n1-c1ccccc1 ZINC000825159345 609167751 /nfs/dbraw/zinc/16/77/51/609167751.db2.gz NUJMKDIUPRMZTL-CQSZACIVSA-N -1 3 370.482 3.354 20 0 FGADHM CC(C)C[C@H]1C[C@@H](Nc2cc(-c3nnn[n-]3)c3ccccc3n2)CCO1 ZINC000824243581 609171224 /nfs/dbraw/zinc/17/12/24/609171224.db2.gz JNIPCYTZGPOMAZ-KBPBESRZSA-N -1 3 352.442 3.421 20 0 FGADHM CC(C)C[C@H]1C[C@@H](Nc2cc(-c3nn[n-]n3)c3ccccc3n2)CCO1 ZINC000824243581 609171226 /nfs/dbraw/zinc/17/12/26/609171226.db2.gz JNIPCYTZGPOMAZ-KBPBESRZSA-N -1 3 352.442 3.421 20 0 FGADHM O=C(N[C@H](CCc1ccccc1)c1ccccc1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826425973 609198607 /nfs/dbraw/zinc/19/86/07/609198607.db2.gz ATSHOKYGDREEPL-GOSISDBHSA-N -1 3 372.432 3.299 20 0 FGADHM O=C(N[C@H](CCc1ccccc1)c1ccccc1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826425973 609198609 /nfs/dbraw/zinc/19/86/09/609198609.db2.gz ATSHOKYGDREEPL-GOSISDBHSA-N -1 3 372.432 3.299 20 0 FGADHM O=C(NC1(c2ccc(Cl)cc2)CCCCC1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826427469 609205399 /nfs/dbraw/zinc/20/53/99/609205399.db2.gz QOCWAXUAUVFVJE-UHFFFAOYSA-N -1 3 370.844 3.438 20 0 FGADHM O=C(NC1(c2ccc(Cl)cc2)CCCCC1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826427469 609205402 /nfs/dbraw/zinc/20/54/02/609205402.db2.gz QOCWAXUAUVFVJE-UHFFFAOYSA-N -1 3 370.844 3.438 20 0 FGADHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000826469776 609210590 /nfs/dbraw/zinc/21/05/90/609210590.db2.gz RNJLQOCLTNCUNL-QGZVFWFLSA-N -1 3 361.409 3.044 20 0 FGADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000826469776 609210592 /nfs/dbraw/zinc/21/05/92/609210592.db2.gz RNJLQOCLTNCUNL-QGZVFWFLSA-N -1 3 361.409 3.044 20 0 FGADHM Cc1nc(NCc2ccc(-c3nnn[n-]3)cc2F)ccc1Br ZINC000826327555 609266162 /nfs/dbraw/zinc/26/61/62/609266162.db2.gz LVJKOZHNSMSNDT-UHFFFAOYSA-N -1 3 363.194 3.084 20 0 FGADHM Cc1nc(NCc2ccc(-c3nn[n-]n3)cc2F)ccc1Br ZINC000826327555 609266163 /nfs/dbraw/zinc/26/61/63/609266163.db2.gz LVJKOZHNSMSNDT-UHFFFAOYSA-N -1 3 363.194 3.084 20 0 FGADHM C[C@@H](Nc1cnn(Cc2ccccc2)c1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824663304 609268951 /nfs/dbraw/zinc/26/89/51/609268951.db2.gz XXUFIBSXDSTOQS-CYBMUJFWSA-N -1 3 363.400 3.424 20 0 FGADHM C[C@@H](Nc1cnn(Cc2ccccc2)c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824663304 609268952 /nfs/dbraw/zinc/26/89/52/609268952.db2.gz XXUFIBSXDSTOQS-CYBMUJFWSA-N -1 3 363.400 3.424 20 0 FGADHM FCc1ccc(CNc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)cc1 ZINC000826370093 609279419 /nfs/dbraw/zinc/27/94/19/609279419.db2.gz DHHIIPLKIHMFQF-UHFFFAOYSA-N -1 3 367.363 3.273 20 0 FGADHM CC(C)(C)OC(=O)[C@@H](NCc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000824113824 609280948 /nfs/dbraw/zinc/28/09/48/609280948.db2.gz FDQPHIBZARYUAE-KRWDZBQOSA-N -1 3 365.437 3.039 20 0 FGADHM CC(C)(C)OC(=O)[C@@H](NCc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000824113824 609280950 /nfs/dbraw/zinc/28/09/50/609280950.db2.gz FDQPHIBZARYUAE-KRWDZBQOSA-N -1 3 365.437 3.039 20 0 FGADHM CCC[C@@H](C)c1cc(NC(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)n[nH]1 ZINC000825232260 609291688 /nfs/dbraw/zinc/29/16/88/609291688.db2.gz FREPTUUKAICULN-SECBINFHSA-N -1 3 359.821 3.399 20 0 FGADHM CCC[C@@H](C)c1cc(NC(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)n[nH]1 ZINC000825232260 609291690 /nfs/dbraw/zinc/29/16/90/609291690.db2.gz FREPTUUKAICULN-SECBINFHSA-N -1 3 359.821 3.399 20 0 FGADHM O=C(Nc1n[nH]c2c1cccc2Cl)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826459222 609294135 /nfs/dbraw/zinc/29/41/35/609294135.db2.gz ACCCYQGDRROECH-UHFFFAOYSA-N -1 3 374.191 3.302 20 0 FGADHM O=C(Nc1n[nH]c2c1cccc2Cl)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826459222 609294137 /nfs/dbraw/zinc/29/41/37/609294137.db2.gz ACCCYQGDRROECH-UHFFFAOYSA-N -1 3 374.191 3.302 20 0 FGADHM O=C(Nc1ccc(-c2ncc[nH]2)cc1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826451863 609298822 /nfs/dbraw/zinc/29/88/22/609298822.db2.gz ZJMWQCYAZRWJIJ-UHFFFAOYSA-N -1 3 365.784 3.163 20 0 FGADHM O=C(Nc1ccc(-c2ncc[nH]2)cc1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826451863 609298824 /nfs/dbraw/zinc/29/88/24/609298824.db2.gz ZJMWQCYAZRWJIJ-UHFFFAOYSA-N -1 3 365.784 3.163 20 0 FGADHM CC(C)[C@H](C)NC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000824192749 609303974 /nfs/dbraw/zinc/30/39/74/609303974.db2.gz LYKDWMVVDKFAGA-ZDUSSCGKSA-N -1 3 351.410 3.433 20 0 FGADHM CC(C)[C@H](C)NC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000824192749 609303976 /nfs/dbraw/zinc/30/39/76/609303976.db2.gz LYKDWMVVDKFAGA-ZDUSSCGKSA-N -1 3 351.410 3.433 20 0 FGADHM COCCC[C@H](C)C(=O)N(Cc1ccco1)c1ccccc1-c1nnn[n-]1 ZINC000826154984 609313288 /nfs/dbraw/zinc/31/32/88/609313288.db2.gz BVLCNXSNVSJSPB-AWEZNQCLSA-N -1 3 369.425 3.056 20 0 FGADHM COCCC[C@H](C)C(=O)N(Cc1ccco1)c1ccccc1-c1nn[n-]n1 ZINC000826154984 609313291 /nfs/dbraw/zinc/31/32/91/609313291.db2.gz BVLCNXSNVSJSPB-AWEZNQCLSA-N -1 3 369.425 3.056 20 0 FGADHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(N3CCC[C@@H](OC(F)F)C3)c2c1 ZINC000826263807 609316778 /nfs/dbraw/zinc/31/67/78/609316778.db2.gz RIDOIPUHJJQWJI-GFCCVEGCSA-N -1 3 374.395 3.240 20 0 FGADHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(N3CCC[C@@H](OC(F)F)C3)c2c1 ZINC000826263807 609316779 /nfs/dbraw/zinc/31/67/79/609316779.db2.gz RIDOIPUHJJQWJI-GFCCVEGCSA-N -1 3 374.395 3.240 20 0 FGADHM C[C@H](NCc1cnn(-c2ccccc2)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824626422 609325052 /nfs/dbraw/zinc/32/50/52/609325052.db2.gz OFGGHJNQHIQTBL-ZDUSSCGKSA-N -1 3 363.400 3.042 20 0 FGADHM CC(C)Oc1ncccc1CN[C@H](C)c1ccc(-c2nnn[n-]2)cc1F ZINC000824337631 609327091 /nfs/dbraw/zinc/32/70/91/609327091.db2.gz DSJRBNWRTKHVOD-GFCCVEGCSA-N -1 3 356.405 3.039 20 0 FGADHM CC(C)Oc1ncccc1CN[C@H](C)c1ccc(-c2nn[n-]n2)cc1F ZINC000824337631 609327093 /nfs/dbraw/zinc/32/70/93/609327093.db2.gz DSJRBNWRTKHVOD-GFCCVEGCSA-N -1 3 356.405 3.039 20 0 FGADHM C[C@H](N[C@@H]1COc2c1cccc2Cl)c1ccc(-c2nnn[n-]2)cc1F ZINC000824555527 609344065 /nfs/dbraw/zinc/34/40/65/609344065.db2.gz XENMHOKBWUTMNJ-BJOHPYRUSA-N -1 3 359.792 3.444 20 0 FGADHM C[C@H](N[C@@H]1COc2c1cccc2Cl)c1ccc(-c2nn[n-]n2)cc1F ZINC000824555527 609344067 /nfs/dbraw/zinc/34/40/67/609344067.db2.gz XENMHOKBWUTMNJ-BJOHPYRUSA-N -1 3 359.792 3.444 20 0 FGADHM O=C(Nc1ccccn1)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826457711 609367826 /nfs/dbraw/zinc/36/78/26/609367826.db2.gz MPGGWTWWQVFZDF-UHFFFAOYSA-N -1 3 358.361 3.306 20 0 FGADHM O=C(Nc1ccccn1)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826457711 609367827 /nfs/dbraw/zinc/36/78/27/609367827.db2.gz MPGGWTWWQVFZDF-UHFFFAOYSA-N -1 3 358.361 3.306 20 0 FGADHM C[C@@H]1CCN(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C[C@H]1F ZINC000824945831 609380688 /nfs/dbraw/zinc/38/06/88/609380688.db2.gz GLEJSAHHZKVZBW-PRHODGIISA-N -1 3 372.326 3.097 20 0 FGADHM C[C@@H]1CCN(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C[C@H]1F ZINC000824945831 609380691 /nfs/dbraw/zinc/38/06/91/609380691.db2.gz GLEJSAHHZKVZBW-PRHODGIISA-N -1 3 372.326 3.097 20 0 FGADHM COCC[C@@H](C)OC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826154472 609387963 /nfs/dbraw/zinc/38/79/63/609387963.db2.gz QDEKDJLQXJVSKF-CYBMUJFWSA-N -1 3 368.393 3.241 20 0 FGADHM COCC[C@@H](C)OC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826154472 609387965 /nfs/dbraw/zinc/38/79/65/609387965.db2.gz QDEKDJLQXJVSKF-CYBMUJFWSA-N -1 3 368.393 3.241 20 0 FGADHM C[C@H]1CCN(C(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)C[C@@H]1F ZINC000824953605 609400790 /nfs/dbraw/zinc/40/07/90/609400790.db2.gz GJQINDLGAVQJNE-UGSOOPFHSA-N -1 3 365.412 3.354 20 0 FGADHM C[C@H]1CCN(C(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)C[C@@H]1F ZINC000824953605 609400792 /nfs/dbraw/zinc/40/07/92/609400792.db2.gz GJQINDLGAVQJNE-UGSOOPFHSA-N -1 3 365.412 3.354 20 0 FGADHM O=C(c1cc(-c2nnn[n-]2)cs1)N1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000826470270 609405820 /nfs/dbraw/zinc/40/58/20/609405820.db2.gz KLMTYYQNIJWXAN-GFCCVEGCSA-N -1 3 371.441 3.477 20 0 FGADHM O=C(c1cc(-c2nn[n-]n2)cs1)N1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000826470270 609405821 /nfs/dbraw/zinc/40/58/21/609405821.db2.gz KLMTYYQNIJWXAN-GFCCVEGCSA-N -1 3 371.441 3.477 20 0 FGADHM O=C1[C@@H](Sc2ccccc2F)CCCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000826477638 609414234 /nfs/dbraw/zinc/41/42/34/609414234.db2.gz IHHCGFWUZQRHJI-INIZCTEOSA-N -1 3 369.425 3.294 20 0 FGADHM O=C1[C@@H](Sc2ccccc2F)CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826477638 609414235 /nfs/dbraw/zinc/41/42/35/609414235.db2.gz IHHCGFWUZQRHJI-INIZCTEOSA-N -1 3 369.425 3.294 20 0 FGADHM CN(C(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1ccc(Oc2ccccc2)cc1 ZINC000825825926 609450775 /nfs/dbraw/zinc/45/07/75/609450775.db2.gz OAFZHVNFFALSTO-UHFFFAOYSA-N -1 3 360.377 3.264 20 0 FGADHM CN(C(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccc(Oc2ccccc2)cc1 ZINC000825825926 609450777 /nfs/dbraw/zinc/45/07/77/609450777.db2.gz OAFZHVNFFALSTO-UHFFFAOYSA-N -1 3 360.377 3.264 20 0 FGADHM Cc1nccn1CCSc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826331734 609451030 /nfs/dbraw/zinc/45/10/30/609451030.db2.gz WDNIPYHUKVLQBI-UHFFFAOYSA-N -1 3 354.361 3.183 20 0 FGADHM C[C@@H](Nc1nc2ccccn2c1-c1nnn[n-]1)c1ccc(OC(F)F)cc1 ZINC000824662220 609459037 /nfs/dbraw/zinc/45/90/37/609459037.db2.gz FWZHYBLACJQTQD-SNVBAGLBSA-N -1 3 371.351 3.289 20 0 FGADHM C[C@@H](Nc1nc2ccccn2c1-c1nn[n-]n1)c1ccc(OC(F)F)cc1 ZINC000824662220 609459040 /nfs/dbraw/zinc/45/90/40/609459040.db2.gz FWZHYBLACJQTQD-SNVBAGLBSA-N -1 3 371.351 3.289 20 0 FGADHM COCCOc1ccc(-c2nnn[n-]2)cc1NCc1cc(C)cc(C)c1 ZINC000826162300 609485653 /nfs/dbraw/zinc/48/56/53/609485653.db2.gz WGVSQGKWBOSHER-UHFFFAOYSA-N -1 3 353.426 3.121 20 0 FGADHM COCCOc1ccc(-c2nn[n-]n2)cc1NCc1cc(C)cc(C)c1 ZINC000826162300 609485656 /nfs/dbraw/zinc/48/56/56/609485656.db2.gz WGVSQGKWBOSHER-UHFFFAOYSA-N -1 3 353.426 3.121 20 0 FGADHM CCOC(=O)Nc1ccc(NCc2ccc(F)cc2C)cc1-c1nnn[n-]1 ZINC000825553510 609488180 /nfs/dbraw/zinc/48/81/80/609488180.db2.gz RTQQLYLKIDRVDT-UHFFFAOYSA-N -1 3 370.388 3.495 20 0 FGADHM CCOC(=O)Nc1ccc(NCc2ccc(F)cc2C)cc1-c1nn[n-]n1 ZINC000825553510 609488182 /nfs/dbraw/zinc/48/81/82/609488182.db2.gz RTQQLYLKIDRVDT-UHFFFAOYSA-N -1 3 370.388 3.495 20 0 FGADHM CCOC(=O)Nc1ccc(NCc2sc(C)nc2C)cc1-c1nnn[n-]1 ZINC000825553025 609488376 /nfs/dbraw/zinc/48/83/76/609488376.db2.gz IHWUDHDBGIWTCD-UHFFFAOYSA-N -1 3 373.442 3.121 20 0 FGADHM CCOC(=O)Nc1ccc(NCc2sc(C)nc2C)cc1-c1nn[n-]n1 ZINC000825553025 609488378 /nfs/dbraw/zinc/48/83/78/609488378.db2.gz IHWUDHDBGIWTCD-UHFFFAOYSA-N -1 3 373.442 3.121 20 0 FGADHM C[C@@H]1CCC[C@@H]1C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(F)(F)F ZINC000824925517 609489293 /nfs/dbraw/zinc/48/92/93/609489293.db2.gz DQONLZCQQQCVBR-RISCZKNCSA-N -1 3 367.375 3.194 20 0 FGADHM C[C@@H]1CCC[C@@H]1C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(F)(F)F ZINC000824925517 609489294 /nfs/dbraw/zinc/48/92/94/609489294.db2.gz DQONLZCQQQCVBR-RISCZKNCSA-N -1 3 367.375 3.194 20 0 FGADHM CCC[C@@H]1C[C@H](C(=O)N(CC)[C@H](C)c2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000825251250 609523545 /nfs/dbraw/zinc/52/35/45/609523545.db2.gz BJGAQMNNJMNKJO-ZTFGCOKTSA-N -1 3 371.485 3.372 20 0 FGADHM CCC[C@@H]1C[C@H](C(=O)N(CC)[C@H](C)c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000825251250 609523548 /nfs/dbraw/zinc/52/35/48/609523548.db2.gz BJGAQMNNJMNKJO-ZTFGCOKTSA-N -1 3 371.485 3.372 20 0 FGADHM Cc1c(Cl)cnc(NCc2cnn(-c3ccccc3)c2)c1-c1nnn[n-]1 ZINC000826240544 609527021 /nfs/dbraw/zinc/52/70/21/609527021.db2.gz ZAFRBQXWUCFZAH-UHFFFAOYSA-N -1 3 366.816 3.021 20 0 FGADHM Cc1c(Cl)cnc(NCc2cnn(-c3ccccc3)c2)c1-c1nn[n-]n1 ZINC000826240544 609527023 /nfs/dbraw/zinc/52/70/23/609527023.db2.gz ZAFRBQXWUCFZAH-UHFFFAOYSA-N -1 3 366.816 3.021 20 0 FGADHM Cc1ccnc(N[C@H](C)c2ccc(NC(=O)C3CC3)cc2)c1-c1nnn[n-]1 ZINC000826312050 609531678 /nfs/dbraw/zinc/53/16/78/609531678.db2.gz UUZSTVSOJIABRL-GFCCVEGCSA-N -1 3 363.425 3.092 20 0 FGADHM Cc1ccnc(N[C@H](C)c2ccc(NC(=O)C3CC3)cc2)c1-c1nn[n-]n1 ZINC000826312050 609531679 /nfs/dbraw/zinc/53/16/79/609531679.db2.gz UUZSTVSOJIABRL-GFCCVEGCSA-N -1 3 363.425 3.092 20 0 FGADHM Cc1c(Cl)cnc(N2CCCO[C@H](c3ccccc3)C2)c1-c1nnn[n-]1 ZINC000826237921 609548579 /nfs/dbraw/zinc/54/85/79/609548579.db2.gz QMGFBBUZHUXPSN-HNNXBMFYSA-N -1 3 370.844 3.192 20 0 FGADHM Cc1c(Cl)cnc(N2CCCO[C@H](c3ccccc3)C2)c1-c1nn[n-]n1 ZINC000826237921 609548581 /nfs/dbraw/zinc/54/85/81/609548581.db2.gz QMGFBBUZHUXPSN-HNNXBMFYSA-N -1 3 370.844 3.192 20 0 FGADHM COc1ccccc1[C@H]1CCN(c2ncc(Cl)c(C)c2-c2nnn[n-]2)C1 ZINC000826219205 609556364 /nfs/dbraw/zinc/55/63/64/609556364.db2.gz VRQPEZQNYNHHCF-LBPRGKRZSA-N -1 3 370.844 3.226 20 0 FGADHM COc1ccccc1[C@H]1CCN(c2ncc(Cl)c(C)c2-c2nn[n-]n2)C1 ZINC000826219205 609556365 /nfs/dbraw/zinc/55/63/65/609556365.db2.gz VRQPEZQNYNHHCF-LBPRGKRZSA-N -1 3 370.844 3.226 20 0 FGADHM Cc1ccnc(N[C@H](C[C@@H]2CCOC2)c2ccccc2)c1-c1nnn[n-]1 ZINC000826311795 609581331 /nfs/dbraw/zinc/58/13/31/609581331.db2.gz NSTBFJUAPKHQHV-GOEBONIOSA-N -1 3 350.426 3.150 20 0 FGADHM Cc1ccnc(N[C@H](C[C@@H]2CCOC2)c2ccccc2)c1-c1nn[n-]n1 ZINC000826311795 609581334 /nfs/dbraw/zinc/58/13/34/609581334.db2.gz NSTBFJUAPKHQHV-GOEBONIOSA-N -1 3 350.426 3.150 20 0 FGADHM COc1ccccc1[C@@H](Nc1nccc(C)c1-c1nnn[n-]1)c1ccccn1 ZINC000826218986 609582598 /nfs/dbraw/zinc/58/25/98/609582598.db2.gz QBHHYMCQBYJPQK-GOSISDBHSA-N -1 3 373.420 3.175 20 0 FGADHM COc1ccccc1[C@@H](Nc1nccc(C)c1-c1nn[n-]n1)c1ccccn1 ZINC000826218986 609582600 /nfs/dbraw/zinc/58/26/00/609582600.db2.gz QBHHYMCQBYJPQK-GOSISDBHSA-N -1 3 373.420 3.175 20 0 FGADHM Cc1ccc(C(F)(F)C(=O)OCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000826284018 609592168 /nfs/dbraw/zinc/59/21/68/609592168.db2.gz HSTWKDIERHWGRL-UHFFFAOYSA-N -1 3 362.311 3.149 20 0 FGADHM Cc1ccc(C(F)(F)C(=O)OCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000826284018 609592170 /nfs/dbraw/zinc/59/21/70/609592170.db2.gz HSTWKDIERHWGRL-UHFFFAOYSA-N -1 3 362.311 3.149 20 0 FGADHM Cc1ccc2c(c1)[C@H](NC(=O)CCc1ccc(-c3nnn[n-]3)cc1)[C@@H](C)C2 ZINC000826294058 609601781 /nfs/dbraw/zinc/60/17/81/609601781.db2.gz HZOUHFKVSLEXDT-VBKZILBWSA-N -1 3 361.449 3.157 20 0 FGADHM Cc1ccc2c(c1)[C@H](NC(=O)CCc1ccc(-c3nn[n-]n3)cc1)[C@@H](C)C2 ZINC000826294058 609601782 /nfs/dbraw/zinc/60/17/82/609601782.db2.gz HZOUHFKVSLEXDT-VBKZILBWSA-N -1 3 361.449 3.157 20 0 FGADHM COC1CCC(CC(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)CC1 ZINC000826146066 609615849 /nfs/dbraw/zinc/61/58/49/609615849.db2.gz PWTPYUREXHXOMQ-UHFFFAOYSA-N -1 3 364.833 3.159 20 0 FGADHM COC1CCC(CC(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)CC1 ZINC000826146066 609615851 /nfs/dbraw/zinc/61/58/51/609615851.db2.gz PWTPYUREXHXOMQ-UHFFFAOYSA-N -1 3 364.833 3.159 20 0 FGADHM C[C@H](OCc1ccccc1)C(=O)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000824730857 609615944 /nfs/dbraw/zinc/61/59/44/609615944.db2.gz QAEMMIAJRGSPMW-LBPRGKRZSA-N -1 3 372.812 3.169 20 0 FGADHM C[C@H](OCc1ccccc1)C(=O)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000824730857 609615945 /nfs/dbraw/zinc/61/59/45/609615945.db2.gz QAEMMIAJRGSPMW-LBPRGKRZSA-N -1 3 372.812 3.169 20 0 FGADHM C[C@@H](CC(=O)OCc1ccc(Cl)cc1-c1nnn[n-]1)c1ccncc1 ZINC000824393969 609618334 /nfs/dbraw/zinc/61/83/34/609618334.db2.gz VPAGOUHTXNBOIJ-NSHDSACASA-N -1 3 357.801 3.152 20 0 FGADHM C[C@@H](CC(=O)OCc1ccc(Cl)cc1-c1nn[n-]n1)c1ccncc1 ZINC000824393969 609618335 /nfs/dbraw/zinc/61/83/35/609618335.db2.gz VPAGOUHTXNBOIJ-NSHDSACASA-N -1 3 357.801 3.152 20 0 FGADHM O=C(CCOCc1ccccc1)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826408060 609619384 /nfs/dbraw/zinc/61/93/84/609619384.db2.gz OBIHEEVSCGWBOR-UHFFFAOYSA-N -1 3 372.812 3.170 20 0 FGADHM O=C(CCOCc1ccccc1)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826408060 609619385 /nfs/dbraw/zinc/61/93/85/609619385.db2.gz OBIHEEVSCGWBOR-UHFFFAOYSA-N -1 3 372.812 3.170 20 0 FGADHM O=C(OCc1ccc(Cl)cc1-c1nnn[n-]1)c1ccc(F)c(F)c1F ZINC000826465595 609620581 /nfs/dbraw/zinc/62/05/81/609620581.db2.gz UFUZWUSYVLGCKD-UHFFFAOYSA-N -1 3 368.702 3.294 20 0 FGADHM O=C(OCc1ccc(Cl)cc1-c1nn[n-]n1)c1ccc(F)c(F)c1F ZINC000826465595 609620583 /nfs/dbraw/zinc/62/05/83/609620583.db2.gz UFUZWUSYVLGCKD-UHFFFAOYSA-N -1 3 368.702 3.294 20 0 FGADHM CC[C@@H](OC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)cc1 ZINC000825154146 609634744 /nfs/dbraw/zinc/63/47/44/609634744.db2.gz LYTKGXQLSJVHCE-CVEARBPZSA-N -1 3 372.812 3.248 20 0 FGADHM CC[C@@H](OC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)cc1 ZINC000825154146 609634745 /nfs/dbraw/zinc/63/47/45/609634745.db2.gz LYTKGXQLSJVHCE-CVEARBPZSA-N -1 3 372.812 3.248 20 0 FGADHM Cc1nc2ccc(NC(=O)Cn3c(=S)[n-]nc3-c3cccs3)cc2[nH]1 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705561951 /nfs/dbraw/zinc/56/19/51/705561951.db2.gz YULZJLNTCAXGJS-UHFFFAOYSA-N -1 3 368.499 3.070 20 0 FGADHM O=C(/C=C/c1ccc(O)c(O)c1)Nc1cc(Br)ccc1[O-] ZINC000181265906 705781790 /nfs/dbraw/zinc/78/17/90/705781790.db2.gz GSCUWBGBXQPDGO-QHHAFSJGSA-N -1 3 350.168 3.218 20 0 FGADHM O=C(N[N-]C(=O)c1cccc([N+](=O)[O-])c1)Nc1cccc(Cl)c1Cl ZINC000182755290 705859755 /nfs/dbraw/zinc/85/97/55/705859755.db2.gz ZEBYMUQWBZQNGS-UHFFFAOYSA-N -1 3 369.164 3.368 20 0 FGADHM COc1ccc(N[C@@H]2C[C@H](OC(C)C)C2(C)C)cc1[N-]S(C)(=O)=O ZINC000185258689 712690056 /nfs/dbraw/zinc/69/00/56/712690056.db2.gz OFDWLCRADJMOME-CVEARBPZSA-N -1 3 356.488 3.071 20 0 FGADHM CCc1cc2c(CSc3nc4cncnc4[nH]3)cc(=O)oc2cc1[O-] ZINC000186793692 712726441 /nfs/dbraw/zinc/72/64/41/712726441.db2.gz XZTSILXBKHMYSV-UHFFFAOYSA-N -1 3 354.391 3.020 20 0 FGADHM O=C(NC[C@H](c1ccccc1)C(F)(F)F)NN=c1cncc(Cl)[n-]1 ZINC000189026830 712784240 /nfs/dbraw/zinc/78/42/40/712784240.db2.gz WLKVVKKGAAHXLI-SNVBAGLBSA-N -1 3 359.739 3.102 20 0 FGADHM Cc1c([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccccc2F)c(C)c1[N+](=O)[O-] ZINC000189224988 712789523 /nfs/dbraw/zinc/78/95/23/712789523.db2.gz DVYLWAQEDPJIRD-UHFFFAOYSA-N -1 3 369.330 3.060 20 0 FGADHM CCc1onc(C)c1[N-]C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000190520625 712816812 /nfs/dbraw/zinc/81/68/12/712816812.db2.gz CZDRJYJXVLWJLI-UHFFFAOYSA-N -1 3 354.160 3.468 20 0 FGADHM C[N-]S(=O)(=O)c1cc(C(=O)O[C@@H](C)c2cc3ccccc3o2)c(C)o1 ZINC000191410915 712835729 /nfs/dbraw/zinc/83/57/29/712835729.db2.gz QQVBTSBBKCTKSO-NSHDSACASA-N -1 3 363.391 3.160 20 0 FGADHM C[C@@H](c1ccccc1Cl)N1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000192975281 712879554 /nfs/dbraw/zinc/87/95/54/712879554.db2.gz YIGWZVVDFKXWBO-ZDUSSCGKSA-N -1 3 360.841 3.270 20 0 FGADHM N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)=C([O-])c1ccnc(C#N)c1 ZINC000193534976 712894835 /nfs/dbraw/zinc/89/48/35/712894835.db2.gz PXUROIGSEDGPQZ-CQSZACIVSA-N -1 3 359.172 3.221 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCN3C)cc1F ZINC000194938318 713540074 /nfs/dbraw/zinc/54/00/74/713540074.db2.gz SAFJKDOOYVDKBU-UHFFFAOYSA-N -1 3 350.415 3.018 20 0 FGADHM Cc1ccc(-c2cc(C(=O)OCCc3c[nH]nc3C(F)(F)F)n[n-]2)o1 ZINC000195083966 713545062 /nfs/dbraw/zinc/54/50/62/713545062.db2.gz LCQWOIMLIIYOPC-UHFFFAOYSA-N -1 3 354.288 3.120 20 0 FGADHM Cc1cccnc1C(F)(F)C(=O)[N-][C@@H](C)COc1ccc(F)cc1F ZINC000195378010 713554343 /nfs/dbraw/zinc/55/43/43/713554343.db2.gz JIAFKTOLPHOPTH-NSHDSACASA-N -1 3 356.319 3.344 20 0 FGADHM CCC(F)(F)C(C)(C)CS(=O)(=O)[N-]Cc1cc(C(F)(F)F)on1 ZINC000641612428 717914415 /nfs/dbraw/zinc/91/44/15/717914415.db2.gz DWJQWGBSCYIINO-UHFFFAOYSA-N -1 3 364.336 3.184 20 0 FGADHM O=C(c1cc([O-])c2ccccc2c1)N1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000281192627 713759734 /nfs/dbraw/zinc/75/97/34/713759734.db2.gz LOOUVLQKFCOJPV-LRDDRELGSA-N -1 3 353.340 3.321 20 0 FGADHM COc1cc(CN[C@@H](CC(=O)[O-])c2cccs2)cc(OC)c1OC ZINC000324874736 713817009 /nfs/dbraw/zinc/81/70/09/713817009.db2.gz QFTAFWCFXGVECI-LBPRGKRZSA-N -1 3 351.424 3.080 20 0 FGADHM 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/nfs/dbraw/zinc/46/36/91/722463691.db2.gz HQYQTAXMDWFAHZ-ZDUSSCGKSA-N -1 3 358.463 3.193 20 0 FGADHM C[C@H](OC(=O)c1cccc(Br)c1[O-])C(=O)Nc1ccccc1 ZINC000730363632 722467725 /nfs/dbraw/zinc/46/77/25/722467725.db2.gz CMXFNKAUDSABIV-JTQLQIEISA-N -1 3 364.195 3.339 20 0 FGADHM C[C@@H]1CCC[C@@H](C)N1C(=O)COC(=O)c1cccc(Br)c1[O-] ZINC000730364858 722467865 /nfs/dbraw/zinc/46/78/65/722467865.db2.gz JRRZTMTYROUADW-GHMZBOCLSA-N -1 3 370.243 3.101 20 0 FGADHM C[C@H](NC(=O)COC(=O)c1cncc([O-])c1)c1ccc(Cl)c(Cl)c1 ZINC000731914582 722479319 /nfs/dbraw/zinc/47/93/19/722479319.db2.gz ALJMLNQOAZSXGT-VIFPVBQESA-N -1 3 369.204 3.128 20 0 FGADHM O=C(/C=C/c1ccnc(Cl)c1)OCc1noc(-c2ccccc2[O-])n1 ZINC000784383239 724848607 /nfs/dbraw/zinc/84/86/07/724848607.db2.gz WHIJWFDPVZFRQG-AATRIKPKSA-N -1 3 357.753 3.247 20 0 FGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2CN(C)C)c1 ZINC000733868428 722501671 /nfs/dbraw/zinc/50/16/71/722501671.db2.gz GLDHKXYEMABKDI-UHFFFAOYSA-N -1 3 354.859 3.211 20 0 FGADHM Cc1ccc(/C=C\S(=O)(=O)[N-][C@@H](CC(C)C)C(=O)OC(C)C)cc1 ZINC000734003397 722503325 /nfs/dbraw/zinc/50/33/25/722503325.db2.gz MXTRCNAEYJODNV-MQNTZWLQSA-N -1 3 353.484 3.251 20 0 FGADHM O=S(=O)([N-][C@H](c1ccccc1)c1ccccn1)c1cccnc1Cl ZINC000738344953 722529755 /nfs/dbraw/zinc/52/97/55/722529755.db2.gz DHXVIZJABLJJRW-MRXNPFEDSA-N -1 3 359.838 3.198 20 0 FGADHM O=S(=O)([N-]CCOc1ccc2ccccc2c1)c1cccnc1Cl ZINC000738352126 722529882 /nfs/dbraw/zinc/52/98/82/722529882.db2.gz CSZNELCLNPATBD-UHFFFAOYSA-N -1 3 362.838 3.246 20 0 FGADHM Cc1sc2[n-]c([C@H](C)OC(=O)CC3(O)CCCC3)nc(=O)c2c1C ZINC000740981160 722540568 /nfs/dbraw/zinc/54/05/68/722540568.db2.gz JNKIXAUEWJXWQM-JTQLQIEISA-N -1 3 350.440 3.313 20 0 FGADHM O=C(OCc1cc(Cl)ccc1Cl)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000744968844 722581933 /nfs/dbraw/zinc/58/19/33/722581933.db2.gz ZXNNBSGNERKFQJ-UHFFFAOYSA-N -1 3 350.157 3.234 20 0 FGADHM Cc1cccc(S(=O)(=O)[N-]c2ccc(N3C[C@@H](C)O[C@H](C)C3)cc2)c1 ZINC000747406666 722646388 /nfs/dbraw/zinc/64/63/88/722646388.db2.gz HJSXZVHTJCKUQB-HZPDHXFCSA-N -1 3 360.479 3.409 20 0 FGADHM COC(=O)/C=C\c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC3)cc1 ZINC000747595485 722651789 /nfs/dbraw/zinc/65/17/89/722651789.db2.gz ADLOQEHPDIWGQP-GHXNOFRVSA-N -1 3 357.431 3.162 20 0 FGADHM C[C@@H](OC(=O)c1ccc([N-]S(C)(=O)=O)cc1)c1ncc(C(C)(C)C)o1 ZINC000747677102 722656037 /nfs/dbraw/zinc/65/60/37/722656037.db2.gz CKJOGDBEEYKCNQ-LLVKDONJSA-N -1 3 366.439 3.262 20 0 FGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H](C)c1ccc(C)s1 ZINC000751034208 722792287 /nfs/dbraw/zinc/79/22/87/722792287.db2.gz YNCAGBGYQMHSPF-SNVBAGLBSA-N -1 3 357.428 3.022 20 0 FGADHM COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCC[C@H](C(C)C)C1 ZINC000751075299 722793753 /nfs/dbraw/zinc/79/37/53/722793753.db2.gz OMDDGPFXBQTLJN-NWDGAFQWSA-N -1 3 374.890 3.015 20 0 FGADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]Cc1ccc([C@H](C)O)cc1 ZINC000751249989 722799656 /nfs/dbraw/zinc/79/96/56/722799656.db2.gz VMQUVWNXVYYXMG-LBPRGKRZSA-N -1 3 363.410 3.412 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)[C@H](O)c1cccc(F)c1 ZINC000751488862 722810175 /nfs/dbraw/zinc/81/01/75/722810175.db2.gz WXCOKIYXQXMFSR-VFZGTOFNSA-N -1 3 361.797 3.019 20 0 FGADHM C[C@@H](NC(=O)COC(=O)c1cc(F)cc(Cl)c1[O-])c1ccc(F)cc1 ZINC000751731922 722824086 /nfs/dbraw/zinc/82/40/86/722824086.db2.gz PZGWNNMWGBOFQQ-SECBINFHSA-N -1 3 369.751 3.358 20 0 FGADHM CC(C)[C@H]1OCCC[C@@H]1C[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000751987389 722839853 /nfs/dbraw/zinc/83/98/53/722839853.db2.gz LZLQPVUNHICJSK-ZWNOBZJWSA-N -1 3 367.298 3.118 20 0 FGADHM O=C(C[C@H]1OC(=O)c2ccccc21)Nc1cc(Br)ccc1[O-] ZINC000754441669 722938668 /nfs/dbraw/zinc/93/86/68/722938668.db2.gz WQNGDPPDORXJKP-CQSZACIVSA-N -1 3 362.179 3.395 20 0 FGADHM Cc1sc2[n-]c([C@@H](C)OC(=O)C[C@@](C)(O)C3CC3)nc(=O)c2c1C ZINC000756319243 722962742 /nfs/dbraw/zinc/96/27/42/722962742.db2.gz JIHDITFBTFGHJW-VVVCHXIZSA-N -1 3 350.440 3.169 20 0 FGADHM O=C([N-]Cc1csc(Br)c1)C(F)(F)c1nccs1 ZINC000756460387 722965025 /nfs/dbraw/zinc/96/50/25/722965025.db2.gz ISYROCVAHPJTNM-UHFFFAOYSA-N -1 3 353.213 3.375 20 0 FGADHM O=C([N-]CCc1nc(C(F)(F)F)cs1)C(F)(F)c1nccs1 ZINC000756521233 722966169 /nfs/dbraw/zinc/96/61/69/722966169.db2.gz UBVAOLDTPILHAJ-UHFFFAOYSA-N -1 3 357.329 3.069 20 0 FGADHM O=C1[N-]C(=O)C(=CNc2cc(F)ccc2Br)c2ccccc21 ZINC000757527109 722976722 /nfs/dbraw/zinc/97/67/22/722976722.db2.gz PECHYWVOOJSRKD-XYOKQWHBSA-N -1 3 361.170 3.311 20 0 FGADHM CS(=O)(=O)[N-]c1ccc(C(=O)O[C@@H]2CCCc3cc(F)ccc32)cc1 ZINC000759410626 723004053 /nfs/dbraw/zinc/00/40/53/723004053.db2.gz XCMCEXPSXDRNIY-QGZVFWFLSA-N -1 3 363.410 3.432 20 0 FGADHM O=C(/C=C\c1cccnc1)Nc1cc(I)ccc1[O-] ZINC000759709445 723017645 /nfs/dbraw/zinc/01/76/45/723017645.db2.gz QIQNCUAWZURRBK-UTCJRWHESA-N -1 3 366.158 3.044 20 0 FGADHM O=S(=O)([N-]C1CCC(O)(c2ccccc2)CC1)c1ccc(F)cc1F ZINC000760619023 723072721 /nfs/dbraw/zinc/07/27/21/723072721.db2.gz QMLZMHUTLFVLSF-UHFFFAOYSA-N -1 3 367.417 3.074 20 0 FGADHM COc1ccc(Br)cc1COC(=O)c1cccc2nn[n-]c21 ZINC000790075948 723102997 /nfs/dbraw/zinc/10/29/97/723102997.db2.gz MJDMEZYGODDZJO-UHFFFAOYSA-N -1 3 362.183 3.086 20 0 FGADHM COc1ccc(Br)cc1COC(=O)c1cccc2[n-]nnc21 ZINC000790075948 723102999 /nfs/dbraw/zinc/10/29/99/723102999.db2.gz MJDMEZYGODDZJO-UHFFFAOYSA-N -1 3 362.183 3.086 20 0 FGADHM COc1ccc(Br)cc1COC(=O)c1cccc2n[n-]nc21 ZINC000790075948 723103001 /nfs/dbraw/zinc/10/30/01/723103001.db2.gz MJDMEZYGODDZJO-UHFFFAOYSA-N -1 3 362.183 3.086 20 0 FGADHM O=S(=O)([N-]C[C@H]1CCC=CO1)c1cccc(Br)c1Cl ZINC000790289089 723123724 /nfs/dbraw/zinc/12/37/24/723123724.db2.gz CVTKHRQHTMPQBB-SECBINFHSA-N -1 3 366.664 3.074 20 0 FGADHM COC(=O)c1cc(S(=O)(=O)[N-]CCC=C(C)C)c(Cl)cc1Cl ZINC000790889028 723189842 /nfs/dbraw/zinc/18/98/42/723189842.db2.gz NRUPKBPTJZYFCH-UHFFFAOYSA-N -1 3 366.266 3.415 20 0 FGADHM COC(=O)[C@@H](OC(=O)c1cncc([O-])c1)c1cc(Cl)cc(Cl)c1 ZINC000763972634 723382730 /nfs/dbraw/zinc/38/27/30/723382730.db2.gz NLYKMAMTKSGWKA-ZDUSSCGKSA-N -1 3 356.161 3.165 20 0 FGADHM C[C@@H]([N-]C(=O)C(F)(F)C1(O)CCC1)c1ccc(F)c(Br)c1 ZINC000764191192 723397559 /nfs/dbraw/zinc/39/75/59/723397559.db2.gz FNDJKFDRMPLQHW-MRVPVSSYSA-N -1 3 366.177 3.316 20 0 FGADHM [O-]c1ccc(CNC(=S)NCc2cccs2)cc1Br ZINC000764522641 723421662 /nfs/dbraw/zinc/42/16/62/723421662.db2.gz CZNGJAWAQWOQDP-UHFFFAOYSA-N -1 3 357.298 3.381 20 0 FGADHM CSCCO[N-]C(=O)CCCC(=O)c1ccc(Br)cc1 ZINC000794190049 723496752 /nfs/dbraw/zinc/49/67/52/723496752.db2.gz OIIXBFHWPDCWPV-UHFFFAOYSA-N -1 3 360.273 3.213 20 0 FGADHM O=C1[N-]C(=O)C(=CN[C@H]2C[C@H](c3ccc(Cl)cc3)C2)c2ccccc21 ZINC000794845597 723548962 /nfs/dbraw/zinc/54/89/62/723548962.db2.gz RZOBDHDFAOJOGY-ZKJMASMISA-N -1 3 352.821 3.487 20 0 FGADHM Cc1ncc(S(=O)(=O)[N-]C[C@H](O)c2ccc(-c3ccccc3)cc2)s1 ZINC000766563196 723581055 /nfs/dbraw/zinc/58/10/55/723581055.db2.gz BNBBISPITCAETN-KRWDZBQOSA-N -1 3 374.487 3.130 20 0 FGADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H]1CC[C@@H](c2cccc(F)c2)C1 ZINC000795310078 723581072 /nfs/dbraw/zinc/58/10/72/723581072.db2.gz NCQMJYUNCJCPRC-TZMCWYRMSA-N -1 3 371.865 3.136 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(F)c([C@H](C)O)c2)c(C)c1C ZINC000795382381 723587104 /nfs/dbraw/zinc/58/71/04/723587104.db2.gz TUBXEFRFLQJALQ-LBPRGKRZSA-N -1 3 353.415 3.305 20 0 FGADHM O=S(=O)(/C=C/c1cccc(Cl)c1)[N-]c1cnn(-c2ccccn2)c1 ZINC000768862533 723669982 /nfs/dbraw/zinc/66/99/82/723669982.db2.gz LNKOQJSIWSJUIP-VQHVLOKHSA-N -1 3 360.826 3.333 20 0 FGADHM Cc1sc2[n-]c([C@H](C)OC(=O)[C@@H]3CCOC[C@@H]3C)nc(=O)c2c1C ZINC000769288077 723681430 /nfs/dbraw/zinc/68/14/30/723681430.db2.gz OUSYPYLYKMFOHE-PTOFAABTSA-N -1 3 350.440 3.291 20 0 FGADHM O=C(c1cc2sccc2c([O-])c1)N1CCN(c2ccccc2O)CC1 ZINC000798301806 723922487 /nfs/dbraw/zinc/92/24/87/723922487.db2.gz TUHKRRVPZYKKGU-UHFFFAOYSA-N -1 3 354.431 3.275 20 0 FGADHM CCCC[C@H](CC)CNC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000798345385 723924931 /nfs/dbraw/zinc/92/49/31/723924931.db2.gz UWFIIDUBSJVBES-ZDUSSCGKSA-N -1 3 365.440 3.303 20 0 FGADHM C[C@H](CCC(C)(C)C)NC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000798417772 723930587 /nfs/dbraw/zinc/93/05/87/723930587.db2.gz MRYVOLJSBGPMKJ-GFCCVEGCSA-N -1 3 365.440 3.301 20 0 FGADHM Cc1ccc2c(CCC(=O)OCCC[N-]C(=O)C(F)(F)F)c[nH]c2c1 ZINC000774964173 723946164 /nfs/dbraw/zinc/94/61/64/723946164.db2.gz RQGAQUCYYWCSPG-UHFFFAOYSA-N -1 3 356.344 3.021 20 0 FGADHM Cc1cccc([C@H](C)C(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)c1 ZINC000799019513 723982598 /nfs/dbraw/zinc/98/25/98/723982598.db2.gz NTWDDFVYUIGHPF-ZDUSSCGKSA-N -1 3 356.388 3.016 20 0 FGADHM CC(C)=C[C@@H]1[C@@H](C(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)C1(C)C ZINC000799023664 723983008 /nfs/dbraw/zinc/98/30/08/723983008.db2.gz FCJUAQOGEKIRCI-KGLIPLIRSA-N -1 3 360.420 3.142 20 0 FGADHM C[C@@H](c1ncc(C(C)(C)C)o1)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000799171806 723994662 /nfs/dbraw/zinc/99/46/62/723994662.db2.gz QRKFVBMMVJGLLA-NSHDSACASA-N -1 3 361.408 3.424 20 0 FGADHM C[C@@H](c1cc(F)ccc1F)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000799172479 723994780 /nfs/dbraw/zinc/99/47/80/723994780.db2.gz PMPKTBKQYYCQOW-JTQLQIEISA-N -1 3 350.331 3.416 20 0 FGADHM CC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)c2cccc(Cl)c2[O-])c1 ZINC000775935209 724086062 /nfs/dbraw/zinc/08/60/62/724086062.db2.gz VHKYVCGFQJRCMA-NSHDSACASA-N -1 3 361.781 3.432 20 0 FGADHM COc1ccc([N-]S(=O)(=O)/C=C\c2ccccc2F)c(OC)c1OC ZINC000799919708 724112616 /nfs/dbraw/zinc/11/26/16/724112616.db2.gz TZCWUKKKWDSGAB-KHPPLWFESA-N -1 3 367.398 3.264 20 0 FGADHM O=S(=O)(/C=C/c1ccccc1F)[N-][C@H]1COc2cc(F)cc(F)c21 ZINC000800107420 724148963 /nfs/dbraw/zinc/14/89/63/724148963.db2.gz QJVRUUZMMXWDLL-GJBLVYBDSA-N -1 3 355.337 3.128 20 0 FGADHM O=C(OCCOc1ccc(F)cc1Cl)c1cc(F)cc2[n-]nnc21 ZINC000800261716 724172337 /nfs/dbraw/zinc/17/23/37/724172337.db2.gz WCJNMPKTLQENQM-UHFFFAOYSA-N -1 3 353.712 3.125 20 0 FGADHM O=C(OCCOc1ccc(F)cc1Cl)c1cc(F)cc2nn[n-]c21 ZINC000800261716 724172340 /nfs/dbraw/zinc/17/23/40/724172340.db2.gz WCJNMPKTLQENQM-UHFFFAOYSA-N -1 3 353.712 3.125 20 0 FGADHM O=C(OCCOc1ccc(F)cc1Cl)c1cc(F)cc2n[n-]nc21 ZINC000800261716 724172341 /nfs/dbraw/zinc/17/23/41/724172341.db2.gz WCJNMPKTLQENQM-UHFFFAOYSA-N -1 3 353.712 3.125 20 0 FGADHM CC[C@@](O)(C(=O)Nc1n[n-]c(-c2ccc(C)o2)n1)c1cccc(Cl)c1 ZINC000800693578 724221593 /nfs/dbraw/zinc/22/15/93/724221593.db2.gz VVHNVFKCBZGDAH-KRWDZBQOSA-N -1 3 360.801 3.263 20 0 FGADHM CC(C)(C)OC(=O)N1CC[C@@H](CC(=O)[N-]OCc2ccc(F)cc2)C1 ZINC000777824586 724262422 /nfs/dbraw/zinc/26/24/22/724262422.db2.gz YUPWSHCXOPOUFO-AWEZNQCLSA-N -1 3 352.406 3.021 20 0 FGADHM Cc1cc(CO)oc1C(=O)O[C@@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000801419650 724300928 /nfs/dbraw/zinc/30/09/28/724300928.db2.gz GAMONMXMEWCKEL-VIFPVBQESA-N -1 3 362.407 3.325 20 0 FGADHM C[C@@H](OC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)C(F)F ZINC000786513327 724985272 /nfs/dbraw/zinc/98/52/72/724985272.db2.gz GMRWYTCSJJZSIG-SNVBAGLBSA-N -1 3 373.352 3.437 20 0 FGADHM CCCOC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C)cnc2Cl)cc1 ZINC000786879951 725005042 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CC(C)[C@@H]([N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)[C@H](O)c1ccccc1 ZINC000788717149 725083014 /nfs/dbraw/zinc/08/30/14/725083014.db2.gz AJOOUMSIXIRQPI-IAGOWNOFSA-N -1 3 373.396 3.140 20 0 FGADHM COc1cccc2c(C(=O)OCC(=O)c3ccc(SC)cc3)n[n-]c21 ZINC000808674166 725212864 /nfs/dbraw/zinc/21/28/64/725212864.db2.gz ODKDZZYGQXEZDD-UHFFFAOYSA-N -1 3 356.403 3.333 20 0 FGADHM COc1cccc2c(C(=O)OCC(=O)c3ccc(SC)cc3)[n-]nc21 ZINC000808674166 725212866 /nfs/dbraw/zinc/21/28/66/725212866.db2.gz ODKDZZYGQXEZDD-UHFFFAOYSA-N -1 3 356.403 3.333 20 0 FGADHM COc1cccc2c(C(=O)OCc3cncc(Br)c3)n[n-]c21 ZINC000808673977 725213052 /nfs/dbraw/zinc/21/30/52/725213052.db2.gz XZUHFKITIMAEIA-UHFFFAOYSA-N -1 3 362.183 3.086 20 0 FGADHM COc1cccc2c1n[n-]c2C(=O)OCc1cncc(Br)c1 ZINC000808673977 725213053 /nfs/dbraw/zinc/21/30/53/725213053.db2.gz XZUHFKITIMAEIA-UHFFFAOYSA-N -1 3 362.183 3.086 20 0 FGADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]Cc1ccc2sccc2c1 ZINC000809851181 725273423 /nfs/dbraw/zinc/27/34/23/725273423.db2.gz 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726814008 /nfs/dbraw/zinc/81/40/08/726814008.db2.gz VUISXLQYVNEAQA-UHFFFAOYSA-N -1 3 372.259 3.275 20 0 FGADHM COC(=O)c1cc(C(=O)OCc2ccccc2OCC(F)(F)F)c[n-]1 ZINC000814532681 726978601 /nfs/dbraw/zinc/97/86/01/726978601.db2.gz ZZGIJVLVETZSAE-UHFFFAOYSA-N -1 3 357.284 3.099 20 0 FGADHM COC(=O)c1cc(C(=O)O[C@H](C)c2cccc(Br)c2)c[n-]1 ZINC000814532641 726978796 /nfs/dbraw/zinc/97/87/96/726978796.db2.gz YFCSPYCHSXCLLC-SECBINFHSA-N -1 3 352.184 3.482 20 0 FGADHM O=C([N-]Cc1ccncc1C(F)(F)F)C(F)(F)C1(O)CCCCC1 ZINC000816416603 727160393 /nfs/dbraw/zinc/16/03/93/727160393.db2.gz WRDSWZWVKDPVCO-UHFFFAOYSA-N -1 3 352.303 3.047 20 0 FGADHM C[C@@H]1CN(Cc2c(F)ccc([O-])c2F)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000816510906 727169623 /nfs/dbraw/zinc/16/96/23/727169623.db2.gz JGNFGEKOEFOZQM-RISCZKNCSA-N -1 3 356.413 3.406 20 0 FGADHM CCn1nc(C)c(C(=O)[N-]c2nnc(-c3ccc(Cl)cc3F)s2)n1 ZINC000816535749 727172901 /nfs/dbraw/zinc/17/29/01/727172901.db2.gz YRHMFKRCRBVWJO-UHFFFAOYSA-N -1 3 366.809 3.170 20 0 FGADHM 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ZINC000821820959 729119776 /nfs/dbraw/zinc/11/97/76/729119776.db2.gz UAKIUGISTDGBCJ-INIZCTEOSA-N -1 3 367.467 3.091 20 0 FGADHM Cc1nc(C)c(-c2nnn[n-]2)c(S[C@H](C)c2ncc(C(C)(C)C)o2)n1 ZINC000822427850 729174050 /nfs/dbraw/zinc/17/40/50/729174050.db2.gz XOIYXFRTZCFHPZ-SECBINFHSA-N -1 3 359.459 3.412 20 0 FGADHM CSc1nc(NC(=O)[C@H](CC(C)(C)C)N(C)C(=O)OC(C)(C)C)n[n-]1 ZINC000822883489 729228091 /nfs/dbraw/zinc/22/80/91/729228091.db2.gz GAETZXGVGVUUTD-JTQLQIEISA-N -1 3 371.507 3.137 20 0 FGADHM O=C(OCc1cc2c(cccc2Cl)[nH]1)c1sccc1-c1nnn[n-]1 ZINC000823418223 729278458 /nfs/dbraw/zinc/27/84/58/729278458.db2.gz NXNKNUYJPCMWHT-UHFFFAOYSA-N -1 3 359.798 3.420 20 0 FGADHM O=C(c1cc(-c2nnn[n-]2)cs1)N1CCCCC[C@H]1c1ccncc1 ZINC000823472547 729283758 /nfs/dbraw/zinc/28/37/58/729283758.db2.gz QIEXUDOOVBVXQP-AWEZNQCLSA-N -1 3 354.439 3.081 20 0 FGADHM O=C(c1cc(-c2nn[n-]n2)cs1)N1CCCCC[C@H]1c1ccncc1 ZINC000823472547 729283762 /nfs/dbraw/zinc/28/37/62/729283762.db2.gz QIEXUDOOVBVXQP-AWEZNQCLSA-N -1 3 354.439 3.081 20 0 FGADHM CCc1ccc(Br)cc1C(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000823804753 729305693 /nfs/dbraw/zinc/30/56/93/729305693.db2.gz KUFHCYNSOWNKFY-LLVKDONJSA-N -1 3 364.243 3.070 20 0 FGADHM Brc1ccc(NCCc2ccsc2)c(-c2nnn[n-]2)c1 ZINC000823832320 729307505 /nfs/dbraw/zinc/30/75/05/729307505.db2.gz MDXQUKYADQPEFJ-UHFFFAOYSA-N -1 3 350.245 3.345 20 0 FGADHM Brc1ccc(NCCc2ccsc2)c(-c2nn[n-]n2)c1 ZINC000823832320 729307507 /nfs/dbraw/zinc/30/75/07/729307507.db2.gz MDXQUKYADQPEFJ-UHFFFAOYSA-N -1 3 350.245 3.345 20 0 FGADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)c2ccc(SC(F)(F)F)nc2)n1 ZINC000824150205 729321422 /nfs/dbraw/zinc/32/14/22/729321422.db2.gz GHMPQPGECWETCT-UHFFFAOYSA-N -1 3 372.372 3.163 20 0 FGADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1cc(Cl)ccc1OC(F)F ZINC000824420826 729337195 /nfs/dbraw/zinc/33/71/95/729337195.db2.gz DMOMJUPQWPVVIS-UHFFFAOYSA-N -1 3 366.748 3.336 20 0 FGADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1cc(Cl)ccc1OC(F)F ZINC000824420826 729337197 /nfs/dbraw/zinc/33/71/97/729337197.db2.gz DMOMJUPQWPVVIS-UHFFFAOYSA-N -1 3 366.748 3.336 20 0 FGADHM C[C@@H](NCc1cc(-c2nn[n-]n2)ccc1F)c1nc2ccccc2s1 ZINC000824612217 729351079 /nfs/dbraw/zinc/35/10/79/729351079.db2.gz KXQRKVCJHBIIMY-SNVBAGLBSA-N -1 3 354.414 3.466 20 0 FGADHM COc1cc(C(=O)NC[C@@H]2CC=CC[C@H]2C(F)(F)F)cc(OC)c1[O-] ZINC000825496157 729385289 /nfs/dbraw/zinc/38/52/89/729385289.db2.gz VXCHHJGFWDVZGF-CMPLNLGQSA-N -1 3 359.344 3.284 20 0 FGADHM CCc1noc(CSc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)n1 ZINC000825776945 729395001 /nfs/dbraw/zinc/39/50/01/729395001.db2.gz OJZMPYXXCHGZLS-UHFFFAOYSA-N -1 3 356.333 3.123 20 0 FGADHM CCc1noc(CSc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)n1 ZINC000825776945 729395002 /nfs/dbraw/zinc/39/50/02/729395002.db2.gz OJZMPYXXCHGZLS-UHFFFAOYSA-N -1 3 356.333 3.123 20 0 FGADHM Cc1c(Cl)cnc(N2CC[C@@H](c3ccc(F)cc3)C2)c1-c1nnn[n-]1 ZINC000826238072 729406281 /nfs/dbraw/zinc/40/62/81/729406281.db2.gz VTGGXDPVIXNIAG-GFCCVEGCSA-N -1 3 358.808 3.357 20 0 FGADHM Cc1c(Cl)cnc(N2CC[C@@H](c3ccc(F)cc3)C2)c1-c1nn[n-]n1 ZINC000826238072 729406283 /nfs/dbraw/zinc/40/62/83/729406283.db2.gz VTGGXDPVIXNIAG-GFCCVEGCSA-N -1 3 358.808 3.357 20 0 FGADHM Cc1ccc(C(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)c(Cl)c1C ZINC000826281317 729406901 /nfs/dbraw/zinc/40/69/01/729406901.db2.gz MJPYMQBYYIWZCL-UHFFFAOYSA-N -1 3 355.829 3.409 20 0 FGADHM Cc1ccc(C(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)c(Cl)c1C ZINC000826281317 729406903 /nfs/dbraw/zinc/40/69/03/729406903.db2.gz MJPYMQBYYIWZCL-UHFFFAOYSA-N -1 3 355.829 3.409 20 0 FGADHM Cc1nc(CNc2ccc(Br)cc2-c2nnn[n-]2)cs1 ZINC000826326556 729407165 /nfs/dbraw/zinc/40/71/65/729407165.db2.gz VDKLIYFCPKYFNN-UHFFFAOYSA-N -1 3 351.233 3.006 20 0 FGADHM Cc1nc(CNc2ccc(Br)cc2-c2nn[n-]n2)cs1 ZINC000826326556 729407167 /nfs/dbraw/zinc/40/71/67/729407167.db2.gz VDKLIYFCPKYFNN-UHFFFAOYSA-N -1 3 351.233 3.006 20 0 FGADHM Cc1cnc(CN[C@@H](c2cccc(-c3nnn[n-]3)c2)C(F)(F)F)s1 ZINC000826318294 729407186 /nfs/dbraw/zinc/40/71/86/729407186.db2.gz CDXWLXUJYMYMBV-LBPRGKRZSA-N -1 3 354.361 3.025 20 0 FGADHM Cc1cnc(CN[C@@H](c2cccc(-c3nn[n-]n3)c2)C(F)(F)F)s1 ZINC000826318294 729407187 /nfs/dbraw/zinc/40/71/87/729407187.db2.gz CDXWLXUJYMYMBV-LBPRGKRZSA-N -1 3 354.361 3.025 20 0 FGADHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)Nc1csc2ccccc12 ZINC000826413142 729407884 /nfs/dbraw/zinc/40/78/84/729407884.db2.gz STVUVTCICQYSGT-UHFFFAOYSA-N -1 3 350.407 3.132 20 0 FGADHM O=C(N[C@@H]1CCC(F)(F)C1)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000826429047 729407920 /nfs/dbraw/zinc/40/79/20/729407920.db2.gz SOYDBFFLXIUDIP-SSDOTTSWSA-N -1 3 362.167 3.091 20 0 FGADHM O=C(N[C@@H]1CCC(F)(F)C1)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000826429047 729407921 /nfs/dbraw/zinc/40/79/21/729407921.db2.gz SOYDBFFLXIUDIP-SSDOTTSWSA-N -1 3 362.167 3.091 20 0 FGADHM O=C1Nc2c(cccc2Br)C1=Cc1cc(-c2nnn[n-]2)cs1 ZINC000826482527 729408296 /nfs/dbraw/zinc/40/82/96/729408296.db2.gz HTDITKNNUZTZNR-YHYXMXQVSA-N -1 3 374.223 3.183 20 0 FGADHM O=C1Nc2c(cccc2Br)C1=Cc1cc(-c2nn[n-]n2)cs1 ZINC000826482527 729408297 /nfs/dbraw/zinc/40/82/97/729408297.db2.gz 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CCOc1cc2c(cc1OCC)CN(C(=O)c1ccc(O)cc1[O-])CC2 ZINC000034774460 494067960 /nfs/dbraw/zinc/06/79/60/494067960.db2.gz XNENKLQDCIUKEL-UHFFFAOYSA-N -1 3 357.406 3.094 20 0 FGADHM CC(C)(C)c1ccc(-c2cc([N-]C(=O)[C@@H]3CCCS3(=O)=O)on2)cc1 ZINC000571297308 505701537 /nfs/dbraw/zinc/70/15/37/505701537.db2.gz LEXFVLAJTNKOHG-HNNXBMFYSA-N -1 3 362.451 3.155 20 0 FGADHM Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]CC(F)(F)F)cc2)cc1 ZINC000008352835 494086854 /nfs/dbraw/zinc/08/68/54/494086854.db2.gz FEBSNVDTCMMTSO-UHFFFAOYSA-N -1 3 372.368 3.088 20 0 FGADHM Cc1ccc([O-])c(C(=O)NCc2cc3c(c(Br)c2)OCO3)c1 ZINC000063819974 494091399 /nfs/dbraw/zinc/09/13/99/494091399.db2.gz YKPJKDGJVVVSLH-UHFFFAOYSA-N -1 3 364.195 3.122 20 0 FGADHM Cc1ccc(/C=C/CC(=O)Nc2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)cc1 ZINC000084743557 494094947 /nfs/dbraw/zinc/09/49/47/494094947.db2.gz HEOXQNIZACNOTI-LAEWNIMASA-N -1 3 363.417 3.092 20 0 FGADHM Cc1ccc(/C=C/CC(=O)Nc2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)cc1 ZINC000084743586 494095674 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CC(C)CCn1cc(C(=O)Nc2cc(Br)ccc2[O-])nn1 ZINC000085591229 494132745 /nfs/dbraw/zinc/13/27/45/494132745.db2.gz NQXZIRPFAFPLSI-UHFFFAOYSA-N -1 3 353.220 3.045 20 0 FGADHM Cc1cc(C(=O)Nc2cccc(-c3nc(C)cc(=O)[n-]3)c2)nn1C(C)(C)C ZINC000053470146 494135985 /nfs/dbraw/zinc/13/59/85/494135985.db2.gz IYUMHCZVHGTAHS-UHFFFAOYSA-N -1 3 365.437 3.258 20 0 FGADHM C[C@@H](c1ccccc1)N(CC(=O)N1CCC(C(=O)[O-])CC1)CC1CCC1 ZINC000580202110 505702383 /nfs/dbraw/zinc/70/23/83/505702383.db2.gz RYNMPCQVOYTPIZ-INIZCTEOSA-N -1 3 358.482 3.173 20 0 FGADHM Cc1nc2cc([N-]S(=O)(=O)c3ccc(Br)cc3)ccc2[nH]1 ZINC000040693128 494145043 /nfs/dbraw/zinc/14/50/43/494145043.db2.gz SDDTZAOHBRPQPN-UHFFFAOYSA-N -1 3 366.240 3.435 20 0 FGADHM Cc1nc2ccc([N-]S(=O)(=O)c3ccc(Br)cc3)cc2[nH]1 ZINC000040693128 494145045 /nfs/dbraw/zinc/14/50/45/494145045.db2.gz SDDTZAOHBRPQPN-UHFFFAOYSA-N -1 3 366.240 3.435 20 0 FGADHM CC(C)Sc1ccc(C(=O)NCCNC(=O)c2ccc([O-])cc2)cc1 ZINC000053742821 494161635 /nfs/dbraw/zinc/16/16/35/494161635.db2.gz 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505709352 /nfs/dbraw/zinc/70/93/52/505709352.db2.gz WZBRKQWWINVCNA-QUCCMNQESA-N -1 3 354.450 3.245 20 0 FGADHM C[C@H](OCCC[N-]S(=O)(=O)c1ccc(F)c(F)c1)c1ccccc1 ZINC000054533195 494244328 /nfs/dbraw/zinc/24/43/28/494244328.db2.gz HGQCNPRINFSTRI-ZDUSSCGKSA-N -1 3 355.406 3.411 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC(Cc3ccccc3)CC2)c1 ZINC000055111076 494302956 /nfs/dbraw/zinc/30/29/56/494302956.db2.gz UYNBWWMXWOSGNZ-UHFFFAOYSA-N -1 3 352.434 3.446 20 0 FGADHM Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)[N-]c3nncs3)c12 ZINC000055148093 494306235 /nfs/dbraw/zinc/30/62/35/494306235.db2.gz KPBOKCQPKZBPPD-UHFFFAOYSA-N -1 3 356.436 3.109 20 0 FGADHM Cc1ccc(C(=O)N(C)C)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1F ZINC000055140006 494306487 /nfs/dbraw/zinc/30/64/87/494306487.db2.gz YIUUJNBRASPURT-UHFFFAOYSA-N -1 3 370.833 3.290 20 0 FGADHM Cc1nc(C)c(CC(=O)NCC2(c3cccc(Cl)c3)CCCC2)c(=O)[n-]1 ZINC000055450679 494345613 /nfs/dbraw/zinc/34/56/13/494345613.db2.gz PTDNCXLICZWPRA-UHFFFAOYSA-N -1 3 373.884 3.211 20 0 FGADHM CCOc1cc([N-]S(=O)(=O)c2ccc(OCCOC)cc2)ccc1C ZINC000066588159 494360841 /nfs/dbraw/zinc/36/08/41/494360841.db2.gz PSZPYHSPAFCBDV-UHFFFAOYSA-N -1 3 365.451 3.220 20 0 FGADHM CCOc1cc2c(cc1OCC)CN([C@@H](C)C(=O)[N-]c1cc(C)no1)CC2 ZINC000073369754 494363587 /nfs/dbraw/zinc/36/35/87/494363587.db2.gz USQGMSFDAGGRIO-AWEZNQCLSA-N -1 3 373.453 3.166 20 0 FGADHM COc1cc(C)c(S(=O)(=O)[N-]c2cc(NC(C)=O)ccc2F)cc1C ZINC000055582951 494365827 /nfs/dbraw/zinc/36/58/27/494365827.db2.gz LMEATUDGVBJKHI-UHFFFAOYSA-N -1 3 366.414 3.210 20 0 FGADHM O=C([N-]O[C@@H]1CCCCO1)C1CCN(c2nc3ccccc3s2)CC1 ZINC000066645478 494375479 /nfs/dbraw/zinc/37/54/79/494375479.db2.gz DMAWDGLCKXVUBD-MRXNPFEDSA-N -1 3 361.467 3.087 20 0 FGADHM Cn1cc([C@H]2N(C(=O)c3ccc4c(c3[O-])OC(C)(C)C4)CC2(C)C)cn1 ZINC000577380885 505717116 /nfs/dbraw/zinc/71/71/16/505717116.db2.gz LLIYBGZTMPMHRS-QGZVFWFLSA-N -1 3 355.438 3.063 20 0 FGADHM CS(=O)(=O)[N-]c1ccc(C(=O)N[C@@H]2CCc3c2cccc3Cl)cc1 ZINC000055712384 494393851 /nfs/dbraw/zinc/39/38/51/494393851.db2.gz JCLLFUXBVOOZTE-MRXNPFEDSA-N -1 3 364.854 3.129 20 0 FGADHM [O-]c1cccnc1CN1CCN(Cc2csc(-c3ccccc3)n2)CC1 ZINC000574199069 505718030 /nfs/dbraw/zinc/71/80/30/505718030.db2.gz LCYDLNYCLQBHDM-UHFFFAOYSA-N -1 3 366.490 3.229 20 0 FGADHM O=C(Cc1ccc([O-])cc1Cl)NC[C@@H](CO)c1ccccc1Cl ZINC000568550522 505720458 /nfs/dbraw/zinc/72/04/58/505720458.db2.gz KOVJGBNASWSMFO-LBPRGKRZSA-N -1 3 354.233 3.134 20 0 FGADHM CCCCN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000017593718 494415301 /nfs/dbraw/zinc/41/53/01/494415301.db2.gz VKGNNUKIIPPRMI-UHFFFAOYSA-N -1 3 364.442 3.499 20 0 FGADHM O=C(N=c1ccn(Cc2ccncc2)[nH]1)c1cc2cc(Cl)sc2[n-]1 ZINC000574209218 505721111 /nfs/dbraw/zinc/72/11/11/505721111.db2.gz ANTAMMGSQVTJOR-UHFFFAOYSA-N -1 3 357.826 3.197 20 0 FGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1ccc(OCC2CC2)cc1 ZINC000055982965 494438164 /nfs/dbraw/zinc/43/81/64/494438164.db2.gz OQXHNCOSJGSWDW-UHFFFAOYSA-N -1 3 360.435 3.099 20 0 FGADHM Cc1nc(C)c(CCC(=O)N[C@@H](c2ccccc2)C2CCCC2)c(=O)[n-]1 ZINC000079376048 494441842 /nfs/dbraw/zinc/44/18/42/494441842.db2.gz FYPKKEZZFJIIIG-FQEVSTJZSA-N -1 3 353.466 3.367 20 0 FGADHM O=S(=O)([N-]Cc1cccc(OCc2ccccn2)c1)c1ccccc1F ZINC000056064040 494449084 /nfs/dbraw/zinc/44/90/84/494449084.db2.gz HVCSYRUDGJNHDK-UHFFFAOYSA-N -1 3 372.421 3.278 20 0 FGADHM COc1ccc(F)cc1[C@@H](C)[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000056098760 494454209 /nfs/dbraw/zinc/45/42/09/494454209.db2.gz WCRMRZLQYJQZBJ-MRVPVSSYSA-N -1 3 363.332 3.291 20 0 FGADHM Cc1nc([N-]c2ncnc3sc(C)c(C)c32)sc1SCC(N)=O ZINC000045913764 494475333 /nfs/dbraw/zinc/47/53/33/494475333.db2.gz QHSZRSNMWPIVPV-UHFFFAOYSA-N -1 3 365.509 3.394 20 0 FGADHM Cc1cccc(C)c1OC[C@@H](C)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000056437965 494505101 /nfs/dbraw/zinc/50/51/01/494505101.db2.gz YSFYVYZFENSEKB-OAHLLOKOSA-N -1 3 350.418 3.342 20 0 FGADHM CCC(CC)c1nnc([N-]C(=O)c2cn(Cc3cccs3)nn2)s1 ZINC000079691458 494509680 /nfs/dbraw/zinc/50/96/80/494509680.db2.gz OECDKKLDWAQGDR-UHFFFAOYSA-N -1 3 362.484 3.395 20 0 FGADHM CC[C@@H]1CN(C(=O)CCc2c(C)nc(C)[n-]c2=O)CC[C@@H]1c1ccccc1 ZINC000074281931 494509742 /nfs/dbraw/zinc/50/97/42/494509742.db2.gz DMLKYPLEMQWSFZ-XLIONFOSSA-N -1 3 367.493 3.362 20 0 FGADHM Cc1ccc2[n-]cc(C(=O)N3CC[C@]4(C3)CCc3ccccc3O4)c(=O)c2c1 ZINC000568572892 505725162 /nfs/dbraw/zinc/72/51/62/505725162.db2.gz CKERVKRHWATIHR-QHCPKHFHSA-N -1 3 374.440 3.446 20 0 FGADHM COC[C@H]([N-]S(=O)(=O)c1ccccc1Cl)c1ccc(F)c(F)c1 ZINC000091056617 494520601 /nfs/dbraw/zinc/52/06/01/494520601.db2.gz XVERVAWELAACAO-AWEZNQCLSA-N -1 3 361.797 3.284 20 0 FGADHM CN(Cc1nccn1Cc1ccccc1)C(=O)NCc1ccc([O-])c(F)c1 ZINC000074373768 494526662 /nfs/dbraw/zinc/52/66/62/494526662.db2.gz DASBUPLLZKGYIW-UHFFFAOYSA-N -1 3 368.412 3.118 20 0 FGADHM Cc1ccc(C(=O)N2CCN(C(=O)CCC3CCCC3)CC2)c([O-])c1C ZINC000079942641 494553171 /nfs/dbraw/zinc/55/31/71/494553171.db2.gz QUOFNJJRJAMYPT-UHFFFAOYSA-N -1 3 358.482 3.264 20 0 FGADHM CCCn1c(=O)[n-]nc1S[C@H](C)C(=O)N(Cc1ccccc1)C(C)C ZINC000023763037 494581184 /nfs/dbraw/zinc/58/11/84/494581184.db2.gz YELPDAIQEIMPGV-CQSZACIVSA-N -1 3 362.499 3.312 20 0 FGADHM CCCn1c(=O)[n-]nc1S[C@H](C)C(=O)N[C@H](C)c1cc2ccccc2o1 ZINC000023763626 494582187 /nfs/dbraw/zinc/58/21/87/494582187.db2.gz PKRSOMCMWZFTPB-VXGBXAGGSA-N -1 3 374.466 3.498 20 0 FGADHM CC(C)c1ccc(C(=O)N2CCC(CC(=O)N3CCCC3)CC2)c([O-])c1 ZINC000080089820 494589820 /nfs/dbraw/zinc/58/98/20/494589820.db2.gz KQCREHRCMIAGKV-UHFFFAOYSA-N -1 3 358.482 3.380 20 0 FGADHM CC(C)[C@H](C)CNC(=O)Cc1csc(NC(=O)c2cccc([O-])c2)n1 ZINC000080099178 494593622 /nfs/dbraw/zinc/59/36/22/494593622.db2.gz HMAOFYFIZNIIII-GFCCVEGCSA-N -1 3 361.467 3.052 20 0 FGADHM Cc1ccc(CNC(=O)C2CCN(C(=O)c3cc(C)ccc3[O-])CC2)cc1 ZINC000080100577 494594090 /nfs/dbraw/zinc/59/40/90/494594090.db2.gz MGFFFFPKFXCSHS-UHFFFAOYSA-N -1 3 366.461 3.178 20 0 FGADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(NC(=O)C3CC3)cc2)cc1C ZINC000121174719 494631100 /nfs/dbraw/zinc/63/11/00/494631100.db2.gz XKQKRXBDBITUCS-UHFFFAOYSA-N -1 3 374.462 3.461 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)C3CC3)cc2)c(C)c1 ZINC000121174886 494631943 /nfs/dbraw/zinc/63/19/43/494631943.db2.gz WSFCRAUONQGVGI-UHFFFAOYSA-N -1 3 360.435 3.153 20 0 FGADHM COc1cc(CN[C@H](CCO)c2ccccc2)cc(Br)c1[O-] ZINC000080204645 494637193 /nfs/dbraw/zinc/63/71/93/494637193.db2.gz KCWVKGVHTJSSIF-OAHLLOKOSA-N -1 3 366.255 3.377 20 0 FGADHM O=C(c1cc(OCc2ccccc2)ccc1[O-])N1CCOC[C@H]1C1CC1 ZINC000091697705 494651162 /nfs/dbraw/zinc/65/11/62/494651162.db2.gz YITQFNIJSQZNQM-IBGZPJMESA-N -1 3 353.418 3.222 20 0 FGADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCOC[C@@H]1C1CC1 ZINC000091697698 494651345 /nfs/dbraw/zinc/65/13/45/494651345.db2.gz XSBSXROSKFOKJJ-HXUWFJFHSA-N -1 3 351.446 3.428 20 0 FGADHM Cc1ccc(C(=O)Nc2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)c([O-])c1 ZINC000126184733 494664094 /nfs/dbraw/zinc/66/40/94/494664094.db2.gz CKQOQWJHXIEVTJ-GJZGRUSLSA-N -1 3 368.433 3.202 20 0 FGADHM CO[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)C(C)(C)C ZINC000074973901 494665458 /nfs/dbraw/zinc/66/54/58/494665458.db2.gz ZDJMBRFYKIMQDM-GFCCVEGCSA-N -1 3 357.369 3.184 20 0 FGADHM COc1cccc([C@@H]2[C@H](NC(=O)c3c([O-])cccc3F)CCN2C2CC2)c1 ZINC000131583325 494666563 /nfs/dbraw/zinc/66/65/63/494666563.db2.gz CBDZJQJPFZKBPL-YLJYHZDGSA-N -1 3 370.424 3.248 20 0 FGADHM Cc1cccc(C(=O)Nc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)c1[O-] ZINC000126199521 494669571 /nfs/dbraw/zinc/66/95/71/494669571.db2.gz UOZUDSMKUZXPIZ-HUUCEWRRSA-N -1 3 368.433 3.202 20 0 FGADHM CSCc1ccc(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)cc1 ZINC000024886225 494675495 /nfs/dbraw/zinc/67/54/95/494675495.db2.gz UFBPBRLJBVWNRE-UHFFFAOYSA-N -1 3 350.465 3.173 20 0 FGADHM Cc1ccccc1[C@@H](C)CC(=O)Nc1cccc([C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000115997783 494675868 /nfs/dbraw/zinc/67/58/68/494675868.db2.gz VDRNCMFBIHYVMM-QKKBWIMNSA-N -1 3 365.433 3.182 20 0 FGADHM Cc1nc(CN(C)C(=O)NCc2ccc([O-])c(Br)c2)cs1 ZINC000126216487 494676519 /nfs/dbraw/zinc/67/65/19/494676519.db2.gz KNVMGILODIYJHS-UHFFFAOYSA-N -1 3 370.272 3.261 20 0 FGADHM Cc1nc(COc2ccc(NC(=O)c3cc(-c4ccco4)[n-]n3)cc2)no1 ZINC000108309166 494677787 /nfs/dbraw/zinc/67/77/87/494677787.db2.gz ROAMGHKUTIYDHT-UHFFFAOYSA-N -1 3 365.349 3.192 20 0 FGADHM Cc1nc(COc2ccc(NC(=O)c3cc(-c4ccco4)n[n-]3)cc2)no1 ZINC000108309166 494677801 /nfs/dbraw/zinc/67/78/01/494677801.db2.gz ROAMGHKUTIYDHT-UHFFFAOYSA-N -1 3 365.349 3.192 20 0 FGADHM COc1ccc(C(=O)Nc2cccc(-c3nc(C)cc(=O)[n-]3)c2)c(OC)c1 ZINC000047318138 494678453 /nfs/dbraw/zinc/67/84/53/494678453.db2.gz YZJAWJZUUFXRAX-UHFFFAOYSA-N -1 3 365.389 3.015 20 0 FGADHM Cc1ccc(O[C@H](C)C(=O)Nc2cccc(-c3nc(C)cc(=O)[n-]3)c2)cc1 ZINC000047317787 494678686 /nfs/dbraw/zinc/67/86/86/494678686.db2.gz OCYARAATLHGTIA-OAHLLOKOSA-N -1 3 363.417 3.460 20 0 FGADHM Cc1ccc(NC(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)cc1Cl ZINC000047327628 494682643 /nfs/dbraw/zinc/68/26/43/494682643.db2.gz QKJMHSHCSXJSPQ-UHFFFAOYSA-N -1 3 368.824 3.283 20 0 FGADHM CC(C)CO[C@@H](C)c1noc(CSc2n[n-]c(-c3ccccn3)n2)n1 ZINC000075076687 494682925 /nfs/dbraw/zinc/68/29/25/494682925.db2.gz RYHLNDGAIQRDIR-NSHDSACASA-N -1 3 360.443 3.276 20 0 FGADHM COc1cc(N[C@H]2CCCN(C(=O)c3ccccc3[O-])C2)cc(OC)c1 ZINC000121303380 494691714 /nfs/dbraw/zinc/69/17/14/494691714.db2.gz LZEOBWNLVKJVDX-AWEZNQCLSA-N -1 3 356.422 3.126 20 0 FGADHM O=C(Cc1cncc([O-])c1)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000574292910 505739790 /nfs/dbraw/zinc/73/97/90/505739790.db2.gz VILLHQLOPMISNN-ZDUSSCGKSA-N -1 3 366.248 3.032 20 0 FGADHM O=S(=O)([N-][C@@H](CCCO)c1ccccc1)c1ccc(Cl)cc1F ZINC000121423746 494749245 /nfs/dbraw/zinc/74/92/45/494749245.db2.gz YYFTWTYRTUZIRA-HNNXBMFYSA-N -1 3 357.834 3.271 20 0 FGADHM O=S(=O)([N-][C@@H](CCCO)c1ccccc1)c1ccc(F)cc1Cl ZINC000121424063 494749399 /nfs/dbraw/zinc/74/93/99/494749399.db2.gz XLBCRUVFRKEGSM-HNNXBMFYSA-N -1 3 357.834 3.271 20 0 FGADHM COc1cc(OC)c(C(=O)[N-]c2nc(C(C)(C)C)ns2)cc1OC ZINC000068073907 494752446 /nfs/dbraw/zinc/75/24/46/494752446.db2.gz SPLVULRNTDVALT-UHFFFAOYSA-N -1 3 351.428 3.114 20 0 FGADHM O=S(=O)([N-]CCc1ccsc1)c1cc(Br)ccc1F ZINC000116370904 494769776 /nfs/dbraw/zinc/76/97/76/494769776.db2.gz YMLAUUKHYFWGMG-UHFFFAOYSA-N -1 3 364.261 3.171 20 0 FGADHM CCc1ccc([C@H](C)C(=O)Nc2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)cc1 ZINC000075478783 494774258 /nfs/dbraw/zinc/77/42/58/494774258.db2.gz DDQDRNCJNRNDJQ-ZSEKCTLFSA-N -1 3 365.433 3.046 20 0 FGADHM CCN(CC)[C@H](CNC(=O)c1ccc(OC)cc1[O-])c1cccc(OC)c1 ZINC000025857125 494783404 /nfs/dbraw/zinc/78/34/04/494783404.db2.gz JURVPEILTFFFFO-LJQANCHMSA-N -1 3 372.465 3.222 20 0 FGADHM O=C(Nc1cc(Br)ccc1O)c1c[n-]c2ccccc2c1=O ZINC000126586574 494795595 /nfs/dbraw/zinc/79/55/95/494795595.db2.gz UXKXWZSUPFCFNW-UHFFFAOYSA-N -1 3 359.179 3.249 20 0 FGADHM Cc1n[nH]c2cc(NC(=O)c3c[n-]c4c(C)cc(F)cc4c3=O)ccc12 ZINC000092139868 494797006 /nfs/dbraw/zinc/79/70/06/494797006.db2.gz SEQQBAZLRYQOEV-UHFFFAOYSA-N -1 3 350.353 3.413 20 0 FGADHM COc1cc(C)cc(C(=O)Nc2cc(CN3CCOCC3)ccc2C)c1[O-] ZINC000132122611 494824348 /nfs/dbraw/zinc/82/43/48/494824348.db2.gz OEJDJIKJYSUXOC-UHFFFAOYSA-N -1 3 370.449 3.102 20 0 FGADHM Cc1ccc2oc(C(=O)N3CCN(C(=O)c4cccc([O-])c4)CC3)cc2c1 ZINC000116617192 494826492 /nfs/dbraw/zinc/82/64/92/494826492.db2.gz LYRKJUXOQBSZBX-UHFFFAOYSA-N -1 3 364.401 3.045 20 0 FGADHM Cc1ccc(C[C@@H](C)NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])s1 ZINC000132149203 494829100 /nfs/dbraw/zinc/82/91/00/494829100.db2.gz SRCLGYZNHYCBKO-CXAGYDPISA-N -1 3 372.490 3.114 20 0 FGADHM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]Cc2sc(C)nc2C)c1 ZINC000132156817 494831301 /nfs/dbraw/zinc/83/13/01/494831301.db2.gz PLUMHTASSSBDQP-UHFFFAOYSA-N -1 3 358.872 3.094 20 0 FGADHM Cc1nc(C)c(CC(=O)Nc2ccc(Oc3cccc(F)c3)cc2)c(=O)[n-]1 ZINC000132170978 494833045 /nfs/dbraw/zinc/83/30/45/494833045.db2.gz QIPRGEJELLIYOH-UHFFFAOYSA-N -1 3 367.380 3.499 20 0 FGADHM COc1ccc([C@@H]2CCCN2C(=O)c2cc(NC(C)=O)ccc2[O-])cc1 ZINC000121702330 494842539 /nfs/dbraw/zinc/84/25/39/494842539.db2.gz NKKZDSUPDKVPGR-SFHVURJKSA-N -1 3 354.406 3.337 20 0 FGADHM COc1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1CCC[C@@H](C)C1 ZINC000026875151 494842908 /nfs/dbraw/zinc/84/29/08/494842908.db2.gz CPBWVCJJIVCPKK-ZYHUDNBSSA-N -1 3 362.289 3.315 20 0 FGADHM Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccccc2[O-])c(C)c1 ZINC000109213056 494846977 /nfs/dbraw/zinc/84/69/77/494846977.db2.gz GTQGKAKLBSZBIT-INIZCTEOSA-N -1 3 356.447 3.163 20 0 FGADHM Cc1ccccc1NC(=O)[C@@H]1CSCN1C(=O)c1cccc(C)c1[O-] ZINC000109214998 494847775 /nfs/dbraw/zinc/84/77/75/494847775.db2.gz GMWOKODXFISAFH-INIZCTEOSA-N -1 3 356.447 3.163 20 0 FGADHM Cc1cc(Br)c(S(=O)(=O)[N-]C(C)C)cc1Br ZINC000126902006 494859538 /nfs/dbraw/zinc/85/95/38/494859538.db2.gz NQWOZCWCPUVHEJ-UHFFFAOYSA-N -1 3 371.094 3.207 20 0 FGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)[C@H](C)CCOc1ccccc1 ZINC000093313801 494866238 /nfs/dbraw/zinc/86/62/38/494866238.db2.gz PKNLHCIMHIIESR-CYBMUJFWSA-N -1 3 360.410 3.457 20 0 FGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)[C@@H](C)Cc1ccc(OC)cc1 ZINC000093313075 494866730 /nfs/dbraw/zinc/86/67/30/494866730.db2.gz HAOLQAWCCHNNEJ-LBPRGKRZSA-N -1 3 360.410 3.240 20 0 FGADHM CN(C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)C(C)(C)C ZINC000574325176 505747245 /nfs/dbraw/zinc/74/72/45/505747245.db2.gz IYDSKWBJIOMVBY-UHFFFAOYSA-N -1 3 364.442 3.497 20 0 FGADHM Cc1cc(Cl)cc(NC(=O)c2cccc(CN3CCOCC3)c2)c1[O-] ZINC000116978514 494878187 /nfs/dbraw/zinc/87/81/87/494878187.db2.gz VOCFVQUHUFTFAU-UHFFFAOYSA-N -1 3 360.841 3.439 20 0 FGADHM Cc1cc(Cl)cc(NC(=O)C2CCN(C(=O)N3CCCC3)CC2)c1[O-] ZINC000116978934 494878712 /nfs/dbraw/zinc/87/87/12/494878712.db2.gz VLZLKXQCQKCMAF-UHFFFAOYSA-N -1 3 365.861 3.220 20 0 FGADHM Cc1cc(Cl)cc(NC(=O)CCCN2C(=O)c3ccccc3C2=O)c1[O-] ZINC000116980422 494879376 /nfs/dbraw/zinc/87/93/76/494879376.db2.gz PZCGAZUYKKXMAH-UHFFFAOYSA-N -1 3 372.808 3.369 20 0 FGADHM CCS(=O)(=O)c1ccc(C(=O)Nc2cc(Cl)cc(C)c2[O-])cc1 ZINC000116980218 494879415 /nfs/dbraw/zinc/87/94/15/494879415.db2.gz VSVGGMMJFKYPKQ-UHFFFAOYSA-N -1 3 353.827 3.400 20 0 FGADHM Cc1cc(Cl)cc(NC(=O)CNC(=O)c2cccc(Cl)c2)c1[O-] ZINC000116980735 494879651 /nfs/dbraw/zinc/87/96/51/494879651.db2.gz MZWIRSMJGOGWHJ-UHFFFAOYSA-N -1 3 353.205 3.376 20 0 FGADHM C[C@H](Cc1ccc(Cl)cc1)C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000132501248 494884832 /nfs/dbraw/zinc/88/48/32/494884832.db2.gz WJGYXRFGTUASPG-GFCCVEGCSA-N -1 3 355.829 3.015 20 0 FGADHM C[C@H](Cc1ccc(Cl)cc1)C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000132501248 494884835 /nfs/dbraw/zinc/88/48/35/494884835.db2.gz WJGYXRFGTUASPG-GFCCVEGCSA-N -1 3 355.829 3.015 20 0 FGADHM CC(C)Oc1ccc([N-]S(=O)(=O)Cc2nc(C(C)(C)C)no2)cc1 ZINC000109525569 494885855 /nfs/dbraw/zinc/88/58/55/494885855.db2.gz DRSKFPSZDZDZNV-UHFFFAOYSA-N -1 3 353.444 3.096 20 0 FGADHM CN(CCOc1ccc(C(=O)[O-])cc1Cl)Cc1ccc2c(c1)OCO2 ZINC000574331343 505748854 /nfs/dbraw/zinc/74/88/54/505748854.db2.gz AHJJJJJGODXOFI-UHFFFAOYSA-N -1 3 363.797 3.278 20 0 FGADHM CN(C)CCOc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2F)cc1 ZINC000093867908 494928714 /nfs/dbraw/zinc/92/87/14/494928714.db2.gz WHMNEMHIBUNPLO-UHFFFAOYSA-N -1 3 372.849 3.220 20 0 FGADHM COC(=O)c1c(C)nc(=O)[n-]c1SCc1cc(C)nc2ccccc12 ZINC000117549482 494931218 /nfs/dbraw/zinc/93/12/18/494931218.db2.gz QGHLQQQGJPENJK-UHFFFAOYSA-N -1 3 355.419 3.014 20 0 FGADHM O=C(Nc1cccc(C(=O)Nc2nnc(-c3ccco3)[n-]2)c1)c1ccco1 ZINC000132858263 494934630 /nfs/dbraw/zinc/93/46/30/494934630.db2.gz YNNUCYQSGFOIOT-UHFFFAOYSA-N -1 3 363.333 3.162 20 0 FGADHM O=C(Nc1cccc(C(=O)Nc2nc(-c3ccco3)n[n-]2)c1)c1ccco1 ZINC000132858263 494934633 /nfs/dbraw/zinc/93/46/33/494934633.db2.gz YNNUCYQSGFOIOT-UHFFFAOYSA-N -1 3 363.333 3.162 20 0 FGADHM O=C(Nc1cccc(C(=O)Nc2n[n-]c(-c3ccco3)n2)c1)c1ccco1 ZINC000132858263 494934634 /nfs/dbraw/zinc/93/46/34/494934634.db2.gz YNNUCYQSGFOIOT-UHFFFAOYSA-N -1 3 363.333 3.162 20 0 FGADHM CCc1cccc(C(=O)N(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)c1[O-] ZINC000093923029 494935730 /nfs/dbraw/zinc/93/57/30/494935730.db2.gz GDZSCRFNQXMIRL-CYBMUJFWSA-N -1 3 361.463 3.191 20 0 FGADHM CCCN(CC(=O)N(C)C)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000094034490 494941255 /nfs/dbraw/zinc/94/12/55/494941255.db2.gz ZOBOFQXNOVQJMM-UHFFFAOYSA-N -1 3 368.477 3.118 20 0 FGADHM O=C(CCc1cccc(Br)c1)Nc1nnc(-c2ccccn2)[n-]1 ZINC000127464965 494948300 /nfs/dbraw/zinc/94/83/00/494948300.db2.gz SMUHUGQWGPMWRG-UHFFFAOYSA-N -1 3 372.226 3.201 20 0 FGADHM O=C(CCc1cccc(Br)c1)Nc1nc(-c2ccccn2)n[n-]1 ZINC000127464965 494948305 /nfs/dbraw/zinc/94/83/05/494948305.db2.gz SMUHUGQWGPMWRG-UHFFFAOYSA-N -1 3 372.226 3.201 20 0 FGADHM O=C(CCc1cccc(Br)c1)Nc1n[n-]c(-c2ccccn2)n1 ZINC000127464965 494948309 /nfs/dbraw/zinc/94/83/09/494948309.db2.gz SMUHUGQWGPMWRG-UHFFFAOYSA-N -1 3 372.226 3.201 20 0 FGADHM CCc1ccc([O-])c(C(=O)N2CSC[C@@H]2C(=O)Nc2ccccc2F)c1 ZINC000094100437 494948942 /nfs/dbraw/zinc/94/89/42/494948942.db2.gz PZLBKNPSZVVKNI-MRXNPFEDSA-N -1 3 374.437 3.248 20 0 FGADHM C[C@H](Oc1cccc(Cl)c1)C(=O)[N-]c1nncn1Cc1ccccc1 ZINC000117733436 494950295 /nfs/dbraw/zinc/95/02/95/494950295.db2.gz XSOAGMWDONVYEI-ZDUSSCGKSA-N -1 3 356.813 3.386 20 0 FGADHM CC(C)(Oc1ccc(F)cc1)C(=O)[N-]c1nncn1Cc1ccccc1 ZINC000117734133 494950764 /nfs/dbraw/zinc/95/07/64/494950764.db2.gz HQAOGUMWYBIYMV-UHFFFAOYSA-N -1 3 354.385 3.262 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]C(C2CC2)C2CC2)sc1Br ZINC000094439944 494956166 /nfs/dbraw/zinc/95/61/66/494956166.db2.gz JBRACKAACFHIOW-UHFFFAOYSA-N -1 3 350.303 3.286 20 0 FGADHM CC(C)CN(C(=O)c1ccc(Br)cc1[O-])C1CCN(C)CC1 ZINC000094135290 494953088 /nfs/dbraw/zinc/95/30/88/494953088.db2.gz YJQZWRHCRLBZBF-UHFFFAOYSA-N -1 3 369.303 3.347 20 0 FGADHM CCc1cccc(C(=O)Nc2ccc(C(N)=O)c(N3CCCCC3)c2)c1[O-] ZINC000094137994 494954255 /nfs/dbraw/zinc/95/42/55/494954255.db2.gz RCRQSHSELXPWRZ-UHFFFAOYSA-N -1 3 367.449 3.296 20 0 FGADHM CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1ccccc1[O-] ZINC000127520271 494956499 /nfs/dbraw/zinc/95/64/99/494956499.db2.gz JSOBFVVLARHPOA-RDTXWAMCSA-N -1 3 352.434 3.330 20 0 FGADHM CCCOc1ccc([N-]S(=O)(=O)c2ccc(F)c(NC(C)=O)c2)cc1 ZINC000133040153 494960013 /nfs/dbraw/zinc/96/00/13/494960013.db2.gz 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20 0 FGADHM CCc1nc(C[N-]S(=O)(=O)c2cc3c(c(Cl)c2)O[C@H](C)C3)cs1 ZINC000128193946 495058551 /nfs/dbraw/zinc/05/85/51/495058551.db2.gz VZOJJZDIDCUMKV-SECBINFHSA-N -1 3 372.899 3.161 20 0 FGADHM COc1cccc(C(=O)Nc2ccc(C(=O)NCC(C)C)cc2C)c1[O-] ZINC000122971941 495061749 /nfs/dbraw/zinc/06/17/49/495061749.db2.gz OMTRTKGNMIKJLI-UHFFFAOYSA-N -1 3 356.422 3.347 20 0 FGADHM CCc1nc([C@H](C)[N-]S(=O)(=O)c2cccc3c2N=S=N3)cs1 ZINC000111362932 495067300 /nfs/dbraw/zinc/06/73/00/495067300.db2.gz FEYAKXXZQYQMMH-QMMMGPOBSA-N -1 3 354.482 3.471 20 0 FGADHM Cc1nc(C)c(CCC(=O)Nc2nc(-c3ccccc3F)cs2)c(=O)[n-]1 ZINC000133878705 495074363 /nfs/dbraw/zinc/07/43/63/495074363.db2.gz WKCDPMVELJKGBH-UHFFFAOYSA-N -1 3 372.425 3.221 20 0 FGADHM O=S(=O)([N-][C@@H]1C[C@H]1c1ccc(Br)cc1)c1cccs1 ZINC000101581392 495081071 /nfs/dbraw/zinc/08/10/71/495081071.db2.gz SENIRDSUUUDILI-NWDGAFQWSA-N -1 3 358.282 3.345 20 0 FGADHM O=C([N-]c1ccncc1F)c1csc(-c2ccc3c(c2)OCCO3)n1 ZINC000123141802 495086906 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COc1ccc([C@@H](CNC(=O)c2c([O-])cccc2F)N2CCCC2)cc1 ZINC000119266543 495129906 /nfs/dbraw/zinc/12/99/06/495129906.db2.gz OLQKPRMPFNXVBT-QGZVFWFLSA-N -1 3 358.413 3.107 20 0 FGADHM Cc1ccc(C(=O)NC2CCN(C(=O)c3cccc(C)c3[O-])CC2)s1 ZINC000123493338 495140768 /nfs/dbraw/zinc/14/07/68/495140768.db2.gz DGHJGWKFHUUYON-UHFFFAOYSA-N -1 3 358.463 3.105 20 0 FGADHM CCOC(=O)c1nnsc1[N-]C(=O)c1cnc(Cc2ccccc2)s1 ZINC000123509728 495143996 /nfs/dbraw/zinc/14/39/96/495143996.db2.gz ZFIGANDYQLYGEA-UHFFFAOYSA-N -1 3 374.447 3.014 20 0 FGADHM CC(C)[C@H](C(=O)Nc1ccc([O-])cc1F)S(=O)(=O)C1CCCCC1 ZINC000119400175 495159328 /nfs/dbraw/zinc/15/93/28/495159328.db2.gz SYBNBYPXZJADLK-MRXNPFEDSA-N -1 3 357.447 3.242 20 0 FGADHM O=C(Cn1ccc2ccc(Cl)cc21)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000102823598 495164800 /nfs/dbraw/zinc/16/48/00/495164800.db2.gz LWEDLOHMRDTLLI-UHFFFAOYSA-N -1 3 352.785 3.114 20 0 FGADHM O=C(Cn1ccc2ccc(Cl)cc21)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000102823598 495164801 /nfs/dbraw/zinc/16/48/01/495164801.db2.gz LWEDLOHMRDTLLI-UHFFFAOYSA-N -1 3 352.785 3.114 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)c(Cl)c2)cc1 ZINC000102907576 495171399 /nfs/dbraw/zinc/17/13/99/495171399.db2.gz CJFGUJPJSXMXJH-UHFFFAOYSA-N -1 3 363.826 3.335 20 0 FGADHM Cc1nc(C)c(CCC(=O)N(C)[C@H](c2ccccc2)C(F)(F)F)c(=O)[n-]1 ZINC000103050361 495187240 /nfs/dbraw/zinc/18/72/40/495187240.db2.gz JRFHGYPKNJNUAO-MRXNPFEDSA-N -1 3 367.371 3.081 20 0 FGADHM O=C(Cc1cccc(OCC(F)(F)F)c1)NCc1ccc([O-])c(F)c1 ZINC000129148063 495203038 /nfs/dbraw/zinc/20/30/38/495203038.db2.gz QCPBYYUKBQDSKK-UHFFFAOYSA-N -1 3 357.303 3.331 20 0 FGADHM CCOC(=O)c1nnc([N-]C(=O)c2cc(C(C)C)n(C(C)(C)C)n2)s1 ZINC000119658046 495211418 /nfs/dbraw/zinc/21/14/18/495211418.db2.gz LWGIKMHHJBHUFO-UHFFFAOYSA-N -1 3 365.459 3.042 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)[C@H](O)Cc1ccccc1 ZINC000129255170 495218976 /nfs/dbraw/zinc/21/89/76/495218976.db2.gz MKZNRFWUIXWNAH-SMDDNHRTSA-N -1 3 374.289 3.264 20 0 FGADHM 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ZINC000183003018 495793385 /nfs/dbraw/zinc/79/33/85/495793385.db2.gz LUBAYLGGFQSDSD-OAHLLOKOSA-N -1 3 367.323 3.445 20 0 FGADHM COC(=O)C[C@H](NC(=O)c1cccc([O-])c1)c1ccc(C(F)(F)F)cc1 ZINC000183003001 495793987 /nfs/dbraw/zinc/79/39/87/495793987.db2.gz LUBAYLGGFQSDSD-HNNXBMFYSA-N -1 3 367.323 3.445 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)NCCOc3ccc(Cl)cc3)c[n-]c12 ZINC000155004104 495801988 /nfs/dbraw/zinc/80/19/88/495801988.db2.gz YBJRNIKLAOQZHT-UHFFFAOYSA-N -1 3 374.799 3.438 20 0 FGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1C(F)(F)F ZINC000151321483 495804542 /nfs/dbraw/zinc/80/45/42/495804542.db2.gz LXEQUKFDHIWGOF-UHFFFAOYSA-N -1 3 351.263 3.277 20 0 FGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1C(F)(F)F ZINC000151321483 495804545 /nfs/dbraw/zinc/80/45/45/495804545.db2.gz LXEQUKFDHIWGOF-UHFFFAOYSA-N -1 3 351.263 3.277 20 0 FGADHM O=C(c1csc2ccccc12)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000171310347 495814494 /nfs/dbraw/zinc/81/44/94/495814494.db2.gz MNMUEGWAOQXRFI-UHFFFAOYSA-N -1 3 366.442 3.205 20 0 FGADHM CSc1ccc(N2C[C@H](C(=O)Nc3c(C)cccc3[O-])CC2=O)cc1 ZINC000183064877 495819995 /nfs/dbraw/zinc/81/99/95/495819995.db2.gz CVCNKDNAJKKOCW-CYBMUJFWSA-N -1 3 356.447 3.414 20 0 FGADHM Cc1c([O-])ccc2c(CN3CCC(C(=O)C(F)(F)F)CC3)cc(=O)oc12 ZINC000186039713 495831932 /nfs/dbraw/zinc/83/19/32/495831932.db2.gz XZYRVAHBHXXWLE-UHFFFAOYSA-N -1 3 369.339 3.150 20 0 FGADHM CCCCc1ccc(NC(=O)c2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)cc1 ZINC000176958144 495857218 /nfs/dbraw/zinc/85/72/18/495857218.db2.gz GARMZARSZUELEX-NRFANRHFSA-N -1 3 365.433 3.336 20 0 FGADHM COCCOc1cccc(C=Cc2nc(-c3ccc4n[n-]nc4c3)no2)c1 ZINC000571755884 505808034 /nfs/dbraw/zinc/80/80/34/505808034.db2.gz FGWQGYXZKZBRFV-VMPITWQZSA-N -1 3 363.377 3.204 20 0 FGADHM COc1ccc(Cl)cc1NCCC(=O)NCc1ccc([O-])c(F)c1 ZINC000174207772 495864495 /nfs/dbraw/zinc/86/44/95/495864495.db2.gz XIMDOGKBILOQDZ-UHFFFAOYSA-N -1 3 352.793 3.312 20 0 FGADHM CC(=O)N(Cc1ccc(NC([O-])=NOCc2ccccc2)cc1)C1CC1 ZINC000151536685 495871559 /nfs/dbraw/zinc/87/15/59/495871559.db2.gz HAJAWEOYCGOYHT-UHFFFAOYSA-N -1 3 353.422 3.451 20 0 FGADHM CC(=O)N(Cc1ccc(NC(=O)[N-]OCc2ccccc2)cc1)C1CC1 ZINC000151536685 495871567 /nfs/dbraw/zinc/87/15/67/495871567.db2.gz HAJAWEOYCGOYHT-UHFFFAOYSA-N -1 3 353.422 3.451 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C=Cc3scnc3C)c2)n1 ZINC000186159464 495877386 /nfs/dbraw/zinc/87/73/86/495877386.db2.gz JIDYJAMSRNPXBR-BQYQJAHWSA-N -1 3 366.446 3.416 20 0 FGADHM COc1cc(C(=O)NCc2ccc([O-])c(Br)c2)ccc1C ZINC000151621699 495897576 /nfs/dbraw/zinc/89/75/76/495897576.db2.gz CNGRKLBLSCHRON-UHFFFAOYSA-N -1 3 350.212 3.402 20 0 FGADHM Cc1nc2c(c(C(F)(F)F)n1)C[C@H](C(=O)Nc1ccc([O-])cc1F)CC2 ZINC000183264666 495906275 /nfs/dbraw/zinc/90/62/75/495906275.db2.gz VUWUESVDXBTZMJ-SECBINFHSA-N -1 3 369.318 3.392 20 0 FGADHM COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1Cc1cc([O-])cc(F)c1 ZINC000186232144 495906537 /nfs/dbraw/zinc/90/65/37/495906537.db2.gz HEQDADXFKJZSOZ-SFHVURJKSA-N -1 3 358.413 3.451 20 0 FGADHM CCOc1ccccc1C[S@@](=O)Cc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000155303587 495911699 /nfs/dbraw/zinc/91/16/99/495911699.db2.gz LWPFGVIIDUPGAX-DEOSSOPVSA-N -1 3 360.357 3.049 20 0 FGADHM CCOC(=O)c1cc(NC(=O)[C@@H](C)c2ccc(Br)cc2)n[n-]1 ZINC000183280256 495913273 /nfs/dbraw/zinc/91/32/73/495913273.db2.gz DHSIMJHSIRWWTE-VIFPVBQESA-N -1 3 366.215 3.091 20 0 FGADHM CCOC(=O)c1cc(NC(=O)[C@@H](C)c2ccc(Br)cc2)[n-]n1 ZINC000183280256 495913276 /nfs/dbraw/zinc/91/32/76/495913276.db2.gz DHSIMJHSIRWWTE-VIFPVBQESA-N -1 3 366.215 3.091 20 0 FGADHM CC(C)n1cnc(S(=O)(=O)[N-]C[C@@H](c2ccccc2)C(F)(F)F)c1 ZINC000186267524 495920695 /nfs/dbraw/zinc/92/06/95/495920695.db2.gz WAFMUVRVSHEPNF-ZDUSSCGKSA-N -1 3 361.389 3.088 20 0 FGADHM C[C@H](CC(=O)N1CC[C@@H](C)c2cccc([O-])c21)NC(=O)c1ccccc1 ZINC000186277294 495924699 /nfs/dbraw/zinc/92/46/99/495924699.db2.gz DYVMOMMSSIKWAZ-HUUCEWRRSA-N -1 3 352.434 3.441 20 0 FGADHM CC(=O)Nc1cc(S(=O)(=O)[N-]c2cncc(Cl)c2Cl)ccc1C ZINC000180289484 495937209 /nfs/dbraw/zinc/93/72/09/495937209.db2.gz DXZJJWJIPKJMOC-UHFFFAOYSA-N -1 3 374.249 3.456 20 0 FGADHM COc1ccc(C(=O)N2CCO[C@H](c3ccc(F)cc3Cl)C2)c([O-])c1 ZINC000186314627 495944732 /nfs/dbraw/zinc/94/47/32/495944732.db2.gz YNBFFGOYTQSGND-KRWDZBQOSA-N -1 3 365.788 3.407 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N2CC[C@H](C)c3cccc(O)c32)c([O-])c1 ZINC000186322672 495947470 /nfs/dbraw/zinc/94/74/70/495947470.db2.gz BKZUCAICAKVOAY-AWEZNQCLSA-N -1 3 368.433 3.067 20 0 FGADHM Cc1nc(C)c(CC(=O)N[C@H]2CC[C@@H](c3cccc(Cl)c3)C2)c(=O)[n-]1 ZINC000574615940 505815677 /nfs/dbraw/zinc/81/56/77/505815677.db2.gz MRXJNZPPJXYBHY-ZBFHGGJFSA-N -1 3 359.857 3.447 20 0 FGADHM CCC[C@@H]1C[C@@H](C(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)CCO1 ZINC000183422769 495976652 /nfs/dbraw/zinc/97/66/52/495976652.db2.gz SDAKUPKIHQCLPH-DOTOQJQBSA-N -1 3 355.438 3.279 20 0 FGADHM C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000183442672 495985152 /nfs/dbraw/zinc/98/51/52/495985152.db2.gz MTNWSQXZPXHILK-NSHDSACASA-N -1 3 369.812 3.368 20 0 FGADHM C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000183442672 495985156 /nfs/dbraw/zinc/98/51/56/495985156.db2.gz MTNWSQXZPXHILK-NSHDSACASA-N -1 3 369.812 3.368 20 0 FGADHM C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000183442672 495985163 /nfs/dbraw/zinc/98/51/63/495985163.db2.gz MTNWSQXZPXHILK-NSHDSACASA-N -1 3 369.812 3.368 20 0 FGADHM O=C1NCCN(Cc2cc([O-])cc(F)c2)[C@@H]1c1ccccc1C(F)(F)F ZINC000186413345 495988593 /nfs/dbraw/zinc/98/85/93/495988593.db2.gz KAHFGAXCWGNBCL-MRXNPFEDSA-N -1 3 368.330 3.223 20 0 FGADHM O=S(=O)(CCc1ccccc1)[N-][C@@H](c1nccs1)c1ccccc1 ZINC000171713211 496002120 /nfs/dbraw/zinc/00/21/20/496002120.db2.gz SMJSXZUJELPHGT-QGZVFWFLSA-N -1 3 358.488 3.395 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-]Cc1ccccc1N1CCCCC1 ZINC000183502426 496011771 /nfs/dbraw/zinc/01/17/71/496011771.db2.gz XBGQCAKVVYUKCR-UHFFFAOYSA-N -1 3 366.508 3.226 20 0 FGADHM O=C([C@@H]1C[C@H]1c1ccc2c(c1)OCCO2)N1CCCc2cccc([O-])c21 ZINC000155614144 496013918 /nfs/dbraw/zinc/01/39/18/496013918.db2.gz CDBWJVFCEIPXTM-JKSUJKDBSA-N -1 3 351.402 3.246 20 0 FGADHM O=S(=O)([N-][C@H](c1ccccc1)c1cccnc1)c1ccc(F)c(F)c1 ZINC000171768490 496028184 /nfs/dbraw/zinc/02/81/84/496028184.db2.gz MDOREZANIDWPCN-GOSISDBHSA-N -1 3 360.385 3.428 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000180626744 496074698 /nfs/dbraw/zinc/07/46/98/496074698.db2.gz VTXQYAGVXCFDPA-WBVHZDCISA-N -1 3 366.339 3.139 20 0 FGADHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N(CC)CC(CC)CC ZINC000174739588 496084344 /nfs/dbraw/zinc/08/43/44/496084344.db2.gz LIQFHHHHPDEWDT-UHFFFAOYSA-N -1 3 368.499 3.456 20 0 FGADHM Cc1ccc(CN2CC[C@@H](CN(C)C(=O)c3c([O-])cccc3F)C2)s1 ZINC000580719821 505822246 /nfs/dbraw/zinc/82/22/46/505822246.db2.gz QJXHUXADVUCXPK-AWEZNQCLSA-N -1 3 362.470 3.495 20 0 FGADHM COc1cccc(OC)c1S(=O)(=O)[N-]c1c(F)cc(Cl)cc1F ZINC000186665685 496098210 /nfs/dbraw/zinc/09/82/10/496098210.db2.gz KZGIZHJNUMOICP-UHFFFAOYSA-N -1 3 363.769 3.436 20 0 FGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@H]1CC[C@@H](C)C[C@@H]1C ZINC000171985792 496118596 /nfs/dbraw/zinc/11/85/96/496118596.db2.gz BMUQBIIMWVAXNQ-GLJUWKHASA-N -1 3 368.481 3.014 20 0 FGADHM COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]c1cccc(F)c1Cl ZINC000580737608 505826281 /nfs/dbraw/zinc/82/62/81/505826281.db2.gz CPQAEXFTJWOWJF-UHFFFAOYSA-N -1 3 372.805 3.247 20 0 FGADHM O=C([O-])c1ccccc1OCCN1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000183922190 496161795 /nfs/dbraw/zinc/16/17/95/496161795.db2.gz LAPLBVNALVEOGD-FQEVSTJZSA-N -1 3 373.424 3.348 20 0 FGADHM O=C(CSc1n[n-]c(COc2ccc(Cl)cc2)n1)[C@@H]1CCCOC1 ZINC000183959502 496177705 /nfs/dbraw/zinc/17/77/05/496177705.db2.gz LOWJKZZKFPOQAB-LLVKDONJSA-N -1 3 367.858 3.125 20 0 FGADHM COC(=O)c1c(CC(C)C)csc1[N-]C(=O)C(=O)Nc1ccccc1 ZINC000156203049 496186109 /nfs/dbraw/zinc/18/61/09/496186109.db2.gz PQRSEZZWCARPQS-UHFFFAOYSA-N -1 3 360.435 3.310 20 0 FGADHM COc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2COc3ccc(C)cc32)c1 ZINC000152555015 496187133 /nfs/dbraw/zinc/18/71/33/496187133.db2.gz BUBXXCQDWOUHPC-CQSZACIVSA-N -1 3 353.827 3.069 20 0 FGADHM O=C(NCCCNC(=O)c1cccc([O-])c1)Nc1ccc(Cl)c(F)c1 ZINC000156217903 496190836 /nfs/dbraw/zinc/19/08/36/496190836.db2.gz OZANERWURKXFTQ-UHFFFAOYSA-N -1 3 365.792 3.126 20 0 FGADHM Cc1c(Cl)cccc1NC(=O)[C@@H](C)S(=O)(=O)c1cccc([O-])c1 ZINC000184001744 496196224 /nfs/dbraw/zinc/19/62/24/496196224.db2.gz HKMSNUXBQYZFPO-LLVKDONJSA-N -1 3 353.827 3.155 20 0 FGADHM Cc1nc(C)c(CC(=O)NC(C)(C)c2ccc(Cl)c(Cl)c2)c(=O)[n-]1 ZINC000161566782 496200027 /nfs/dbraw/zinc/20/00/27/496200027.db2.gz GSSRAYZUUQSQAH-UHFFFAOYSA-N -1 3 368.264 3.288 20 0 FGADHM CC[C@@H]1CCN(C(=O)Cc2csc(NC(=O)c3cc(C)ccc3[O-])n2)C1 ZINC000184012919 496201349 /nfs/dbraw/zinc/20/13/49/496201349.db2.gz GPSRRGPUHQPKEM-CYBMUJFWSA-N -1 3 373.478 3.210 20 0 FGADHM CCOC(=O)c1cc(NC(=O)[C@H](C)Sc2ccccc2Cl)n[n-]1 ZINC000180940667 496209442 /nfs/dbraw/zinc/20/94/42/496209442.db2.gz VDWVXNZYKZDNGV-VIFPVBQESA-N -1 3 353.831 3.359 20 0 FGADHM CCOC(=O)c1cc(NC(=O)[C@H](C)Sc2ccccc2Cl)[n-]n1 ZINC000180940667 496209445 /nfs/dbraw/zinc/20/94/45/496209445.db2.gz VDWVXNZYKZDNGV-VIFPVBQESA-N -1 3 353.831 3.359 20 0 FGADHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000577974617 505831534 /nfs/dbraw/zinc/83/15/34/505831534.db2.gz HLDJGORRMMDFGW-YWPYICTPSA-N -1 3 365.355 3.444 20 0 FGADHM C[C@@H](CC1CC1)[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000186983641 496239130 /nfs/dbraw/zinc/23/91/30/496239130.db2.gz MPIYKJNQYYIYHB-JSGCOSHPSA-N -1 3 373.902 3.222 20 0 FGADHM CCOC(=O)c1c(C2CC2)csc1[N-]C(=O)C(=O)N(CC)CC(C)C ZINC000175096360 496245894 /nfs/dbraw/zinc/24/58/94/496245894.db2.gz DALILPQCIUHWOW-UHFFFAOYSA-N -1 3 366.483 3.245 20 0 FGADHM COc1ccccc1[C@@H](CNC(=O)c1ccc([O-])cc1F)N1CCCC1 ZINC000181047581 496252660 /nfs/dbraw/zinc/25/26/60/496252660.db2.gz DWBXFKPAXVLKGV-GOSISDBHSA-N -1 3 358.413 3.107 20 0 FGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1cc(C(F)(F)F)ccc1F ZINC000175116803 496253535 /nfs/dbraw/zinc/25/35/35/496253535.db2.gz PFUHYGLZJAACDZ-UHFFFAOYSA-N -1 3 361.320 3.210 20 0 FGADHM CCCC[C@@H]([N-]S(=O)(=O)c1ccc(CNC(C)=O)s1)C1CCC1 ZINC000152785894 496255883 /nfs/dbraw/zinc/25/58/83/496255883.db2.gz HBHLVDTTWVRAQA-OAHLLOKOSA-N -1 3 358.529 3.021 20 0 FGADHM O=C(COc1ccc(C(F)(F)F)cc1)[N-]c1nncn1-c1ccccc1 ZINC000181099555 496270535 /nfs/dbraw/zinc/27/05/35/496270535.db2.gz LTXJRXBWVXILCR-UHFFFAOYSA-N -1 3 362.311 3.304 20 0 FGADHM Cc1cccc(C2(C(=O)NCCNC(=O)c3ccc([O-])cc3)CCCC2)c1 ZINC000156550190 496276407 /nfs/dbraw/zinc/27/64/07/496276407.db2.gz QMJJXVHQTCSCDT-UHFFFAOYSA-N -1 3 366.461 3.059 20 0 FGADHM Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000152855794 496277544 /nfs/dbraw/zinc/27/75/44/496277544.db2.gz GLRIHADAFKYDRY-NSHDSACASA-N -1 3 371.462 3.292 20 0 FGADHM O=C(N[C@H]1CCO[C@@H]1c1ccc(Cl)cc1)c1c[n-]nc1-c1ccccn1 ZINC000571870604 505834135 /nfs/dbraw/zinc/83/41/35/505834135.db2.gz VGORKFPNIQGQSW-FUHWJXTLSA-N -1 3 368.824 3.385 20 0 FGADHM Cc1ccc(C[N-]S(=O)(=O)c2ccc(Br)cc2F)s1 ZINC000162028576 496282831 /nfs/dbraw/zinc/28/28/31/496282831.db2.gz LMQUBMNZHUDOCG-UHFFFAOYSA-N -1 3 364.261 3.437 20 0 FGADHM Cc1cc([N-]C(=O)[C@H](C)N2CCc3cccc(Br)c3C2)on1 ZINC000172405219 496285944 /nfs/dbraw/zinc/28/59/44/496285944.db2.gz NTKKYFWPTSLPCC-NSHDSACASA-N -1 3 364.243 3.131 20 0 FGADHM CC[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F ZINC000152908089 496293251 /nfs/dbraw/zinc/29/32/51/496293251.db2.gz IGZXDMCKYPJLTN-MFKMUULPSA-N -1 3 362.854 3.295 20 0 FGADHM COC(=O)CCSc1ncccc1[N-]C(=O)c1ccc(F)cc1F ZINC000184266297 496310305 /nfs/dbraw/zinc/31/03/05/496310305.db2.gz DGDKBZOLQNXSSY-UHFFFAOYSA-N -1 3 352.362 3.267 20 0 FGADHM O=C([O-])c1ccc(Br)cc1CN1CCC2(C1)CCOCC2 ZINC000580779226 505836774 /nfs/dbraw/zinc/83/67/74/505836774.db2.gz ZWFHIXVLWRTWKS-UHFFFAOYSA-N -1 3 354.244 3.150 20 0 FGADHM CC[C@@H](C)Oc1ccc(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)cc1 ZINC000175298871 496328967 /nfs/dbraw/zinc/32/89/67/496328967.db2.gz 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O=C(Nc1ccc2cccc(Cl)c2n1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000181338406 496358385 /nfs/dbraw/zinc/35/83/85/496358385.db2.gz DZUWVJGMQJNHIK-UHFFFAOYSA-N -1 3 351.749 3.024 20 0 FGADHM O=C(c1cc(F)ccc1[O-])N1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000181336100 496358669 /nfs/dbraw/zinc/35/86/69/496358669.db2.gz QRGBSGBQKPFBBQ-CQSZACIVSA-N -1 3 366.396 3.336 20 0 FGADHM O=C(c1cc(F)ccc1[O-])N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000181336100 496358670 /nfs/dbraw/zinc/35/86/70/496358670.db2.gz QRGBSGBQKPFBBQ-CQSZACIVSA-N -1 3 366.396 3.336 20 0 FGADHM Cc1nc(C)c(CCC(=O)Nc2ccc(Cl)c(OC(F)F)c2)c(=O)[n-]1 ZINC000181381653 496372978 /nfs/dbraw/zinc/37/29/78/496372978.db2.gz KTWXINGLOIFKHR-UHFFFAOYSA-N -1 3 371.771 3.213 20 0 FGADHM O=S(=O)([N-]Cc1ccc[nH]1)c1cc(Cl)ccc1OCCC1CC1 ZINC000187277683 496373184 /nfs/dbraw/zinc/37/31/84/496373184.db2.gz SQHSCMCWPSJQIF-UHFFFAOYSA-N -1 3 354.859 3.326 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]c2cc3c(cc2F)NC(=O)CC3)c(C)s1 ZINC000156964546 496375748 /nfs/dbraw/zinc/37/57/48/496375748.db2.gz DLZUJKCHWVXTCJ-UHFFFAOYSA-N -1 3 354.428 3.190 20 0 FGADHM Cc1cccc(C(=O)NCc2ccc(COC3CCOCC3)cc2)c1[O-] ZINC000162590172 496378297 /nfs/dbraw/zinc/37/82/97/496378297.db2.gz QVSWJBHFVNLLTP-UHFFFAOYSA-N -1 3 355.434 3.326 20 0 FGADHM C[C@H](CCC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)c1ccccc1 ZINC000162611980 496382711 /nfs/dbraw/zinc/38/27/11/496382711.db2.gz DGNDQTJTLJRVRP-QGZVFWFLSA-N -1 3 366.461 3.261 20 0 FGADHM CCC1([N-]S(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCOC2)CCC1 ZINC000187297966 496382707 /nfs/dbraw/zinc/38/27/07/496382707.db2.gz JEKZZUSUMSEMLY-CYBMUJFWSA-N -1 3 373.902 3.366 20 0 FGADHM CCc1c(C(=O)Nc2nnc(-c3ccccn3)[n-]2)cnn1-c1ccccc1C ZINC000184463156 496393637 /nfs/dbraw/zinc/39/36/37/496393637.db2.gz BJQXVUOWKNDLMA-UHFFFAOYSA-N -1 3 373.420 3.176 20 0 FGADHM CCc1c(C(=O)Nc2nc(-c3ccccn3)n[n-]2)cnn1-c1ccccc1C ZINC000184463156 496393642 /nfs/dbraw/zinc/39/36/42/496393642.db2.gz BJQXVUOWKNDLMA-UHFFFAOYSA-N -1 3 373.420 3.176 20 0 FGADHM O=C([N-]c1nc2ccc(Cl)cn2n1)c1ccc(Br)s1 ZINC000157044986 496393678 /nfs/dbraw/zinc/39/36/78/496393678.db2.gz NZKCFNSDLYTKKD-UHFFFAOYSA-N -1 3 357.620 3.459 20 0 FGADHM CCc1c(C(=O)Nc2n[n-]c(-c3ccccn3)n2)cnn1-c1ccccc1C ZINC000184463156 496393647 /nfs/dbraw/zinc/39/36/47/496393647.db2.gz BJQXVUOWKNDLMA-UHFFFAOYSA-N -1 3 373.420 3.176 20 0 FGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@@H]3CCOC3(C)C)s2)cs1 ZINC000574723811 505841433 /nfs/dbraw/zinc/84/14/33/505841433.db2.gz ROOCUVASLDVYOL-GFCCVEGCSA-N -1 3 358.510 3.026 20 0 FGADHM O=C(Nc1nnc(-c2ccccn2)[n-]1)c1cnn(-c2ccccc2)c1C1CC1 ZINC000175471554 496405921 /nfs/dbraw/zinc/40/59/21/496405921.db2.gz DQXGPHDSZGBPPI-UHFFFAOYSA-N -1 3 371.404 3.182 20 0 FGADHM O=C(Nc1nc(-c2ccccn2)n[n-]1)c1cnn(-c2ccccc2)c1C1CC1 ZINC000175471554 496405929 /nfs/dbraw/zinc/40/59/29/496405929.db2.gz DQXGPHDSZGBPPI-UHFFFAOYSA-N -1 3 371.404 3.182 20 0 FGADHM O=C(Nc1n[n-]c(-c2ccccn2)n1)c1cnn(-c2ccccc2)c1C1CC1 ZINC000175471554 496405935 /nfs/dbraw/zinc/40/59/35/496405935.db2.gz DQXGPHDSZGBPPI-UHFFFAOYSA-N -1 3 371.404 3.182 20 0 FGADHM C[N-]S(=O)(=O)c1ccc(CNC(=O)C[C@H](C)CCC=C(C)C)s1 ZINC000578015378 505842138 /nfs/dbraw/zinc/84/21/38/505842138.db2.gz PFTRWZMOWFFSCZ-CYBMUJFWSA-N -1 3 358.529 3.045 20 0 FGADHM O=C(Nc1cc(F)ccc1[O-])c1ccc(OCC(F)(F)C(F)F)nc1 ZINC000178327023 496413791 /nfs/dbraw/zinc/41/37/91/496413791.db2.gz WGGPXOTUCWFNET-UHFFFAOYSA-N -1 3 362.254 3.458 20 0 FGADHM COc1cc(C)c(CN=c2nc(-c3ccccc3Cl)[n-]n2C)c(C)n1 ZINC000574733489 505843032 /nfs/dbraw/zinc/84/30/32/505843032.db2.gz ZJPRXMXEFBDWFL-UHFFFAOYSA-N -1 3 357.845 3.190 20 0 FGADHM Cc1cc(C(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)ccc1F ZINC000178345571 496421485 /nfs/dbraw/zinc/42/14/85/496421485.db2.gz WFGXTTCCKXVWLA-UHFFFAOYSA-N -1 3 356.397 3.331 20 0 FGADHM CC[C@@H]1CN(c2ccccc2)CCN1C(=O)NCc1ccc([O-])c(F)c1 ZINC000184528327 496424547 /nfs/dbraw/zinc/42/45/47/496424547.db2.gz FTZSGPZOIFJPGO-MRXNPFEDSA-N -1 3 357.429 3.342 20 0 FGADHM Cn1cc(CCC(=O)Nc2ccccc2[N-]S(C)(=O)=O)c2ccccc21 ZINC000153352019 496428791 /nfs/dbraw/zinc/42/87/91/496428791.db2.gz NGJAJCWXHKLNOX-UHFFFAOYSA-N -1 3 371.462 3.121 20 0 FGADHM O=C(Nc1ccc(OC(F)F)c2ncccc12)c1cccc2nn[n-]c21 ZINC000187416832 496433273 /nfs/dbraw/zinc/43/32/73/496433273.db2.gz FOOCNHXNQAUHFM-UHFFFAOYSA-N -1 3 355.304 3.360 20 0 FGADHM O=C(Nc1ccc(OC(F)F)c2ncccc12)c1cccc2[n-]nnc21 ZINC000187416832 496433278 /nfs/dbraw/zinc/43/32/78/496433278.db2.gz FOOCNHXNQAUHFM-UHFFFAOYSA-N -1 3 355.304 3.360 20 0 FGADHM O=C(Nc1ccc(OC(F)F)c2ncccc12)c1cccc2n[n-]nc21 ZINC000187416832 496433281 /nfs/dbraw/zinc/43/32/81/496433281.db2.gz FOOCNHXNQAUHFM-UHFFFAOYSA-N -1 3 355.304 3.360 20 0 FGADHM CC[C@H]1[C@H](C)CCN1C(=O)Cc1csc(NC(=O)c2cccc([O-])c2)n1 ZINC000187442386 496442403 /nfs/dbraw/zinc/44/24/03/496442403.db2.gz XNIYDIUKCIWTOY-WBMJQRKESA-N -1 3 373.478 3.291 20 0 FGADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)CC3)c(C)c1 ZINC000172812976 496443056 /nfs/dbraw/zinc/44/30/56/496443056.db2.gz XQWRTJOORGFTIE-UHFFFAOYSA-N -1 3 360.435 3.079 20 0 FGADHM O=S(=O)([N-]Cc1ccn2ccnc2c1)c1cc(Cl)cc(Cl)c1 ZINC000178403814 496443507 /nfs/dbraw/zinc/44/35/07/496443507.db2.gz ZFJHOENOPOSHES-UHFFFAOYSA-N -1 3 356.234 3.120 20 0 FGADHM COC[C@H]([N-]S(=O)(=O)c1sc(C)nc1C)c1cccc(Cl)c1 ZINC000571919085 505845927 /nfs/dbraw/zinc/84/59/27/505845927.db2.gz ZOVCCFDWHFAKFC-ZDUSSCGKSA-N -1 3 360.888 3.079 20 0 FGADHM O=C1Cc2cc(-c3csc([N-]c4ncnc5ncccc45)n3)ccc2N1 ZINC000163116998 496468139 /nfs/dbraw/zinc/46/81/39/496468139.db2.gz FKTFVMXGPZVDER-UHFFFAOYSA-N -1 3 360.402 3.387 20 0 FGADHM COc1cc(C(=O)[N-]c2n[nH]c(C3CCC3)n2)sc1Br ZINC000184624078 496468391 /nfs/dbraw/zinc/46/83/91/496468391.db2.gz JOWMCIPGNBAYFH-UHFFFAOYSA-N -1 3 357.233 3.157 20 0 FGADHM CC(C)c1cccc(S(=O)(=O)[N-]c2cc(S(C)(=O)=O)ccc2F)c1 ZINC000172884295 496475654 /nfs/dbraw/zinc/47/56/54/496475654.db2.gz YLRJIZFDJDWSPL-UHFFFAOYSA-N -1 3 371.455 3.153 20 0 FGADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@H](c1ccccc1)C1CC1 ZINC000178502327 496479460 /nfs/dbraw/zinc/47/94/60/496479460.db2.gz XJYNUQOORJBWCI-QGZVFWFLSA-N -1 3 363.410 3.042 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-][C@@H](COCC(C)C)c1ccco1 ZINC000157449430 496479651 /nfs/dbraw/zinc/47/96/51/496479651.db2.gz MVNVHSXUZUWBHN-LBPRGKRZSA-N -1 3 359.469 3.042 20 0 FGADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]C(C)(C)c1cccc(C)c1 ZINC000178547868 496494670 /nfs/dbraw/zinc/49/46/70/496494670.db2.gz AQRDCJIHXISNKP-UHFFFAOYSA-N -1 3 365.426 3.134 20 0 FGADHM Cc1ccc([N-]S(=O)(=O)c2cnn(C(C)C)c2)c(Br)c1 ZINC000157554694 496503098 /nfs/dbraw/zinc/50/30/98/496503098.db2.gz FMAJAEOMLWNFOE-UHFFFAOYSA-N -1 3 358.261 3.336 20 0 FGADHM COc1cccc(C(=O)N2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)c1[O-] ZINC000157577796 496507431 /nfs/dbraw/zinc/50/74/31/496507431.db2.gz CJWBRALSRUQJAC-DOTOQJQBSA-N -1 3 359.397 3.268 20 0 FGADHM COc1cccc(C(=O)N2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)c1[O-] ZINC000157577466 496507482 /nfs/dbraw/zinc/50/74/82/496507482.db2.gz CJWBRALSRUQJAC-RDJZCZTQSA-N -1 3 359.397 3.268 20 0 FGADHM CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000153622612 496522044 /nfs/dbraw/zinc/52/20/44/496522044.db2.gz VPDYAYQLELOEFG-QGZVFWFLSA-N -1 3 371.824 3.213 20 0 FGADHM Cc1ccc2c(ncc(C(=O)[O-])c2N2CCC(F)(F)[C@H](CO)C2)c1C ZINC000574759940 505849412 /nfs/dbraw/zinc/84/94/12/505849412.db2.gz SBSROMYPZDYVDF-LBPRGKRZSA-N -1 3 350.365 3.004 20 0 FGADHM CC(C)(C)CNC(=O)c1ccc(C(=O)Nc2nnc(-c3ccco3)[n-]2)cc1 ZINC000163521601 496526736 /nfs/dbraw/zinc/52/67/36/496526736.db2.gz HJJUAPFNEVCLFU-UHFFFAOYSA-N -1 3 367.409 3.093 20 0 FGADHM CC(C)(C)CNC(=O)c1ccc(C(=O)Nc2nc(-c3ccco3)n[n-]2)cc1 ZINC000163521601 496526745 /nfs/dbraw/zinc/52/67/45/496526745.db2.gz HJJUAPFNEVCLFU-UHFFFAOYSA-N -1 3 367.409 3.093 20 0 FGADHM CC(C)(C)CNC(=O)c1ccc(C(=O)Nc2n[n-]c(-c3ccco3)n2)cc1 ZINC000163521601 496526751 /nfs/dbraw/zinc/52/67/51/496526751.db2.gz HJJUAPFNEVCLFU-UHFFFAOYSA-N -1 3 367.409 3.093 20 0 FGADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@@H]1CCCN1c1nccs1 ZINC000153655593 496534527 /nfs/dbraw/zinc/53/45/27/496534527.db2.gz HJJKKYNMWXUUEU-NSHDSACASA-N -1 3 357.357 3.475 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)N1CCO[C@H](c2ccccc2Cl)C1 ZINC000163712824 496549635 /nfs/dbraw/zinc/54/96/35/496549635.db2.gz PGJCILBYWXYBBE-KRWDZBQOSA-N -1 3 364.804 3.468 20 0 FGADHM CC[C@@H](C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1[O-])c1ccccc1 ZINC000175815324 496556587 /nfs/dbraw/zinc/55/65/87/496556587.db2.gz UBLMMDYLHMBLCA-MRXNPFEDSA-N -1 3 374.462 3.064 20 0 FGADHM CC[C@H](C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1[O-])c1ccccc1 ZINC000175815309 496556597 /nfs/dbraw/zinc/55/65/97/496556597.db2.gz UBLMMDYLHMBLCA-INIZCTEOSA-N -1 3 374.462 3.064 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)CCSc3ccccc3)[n-]c21 ZINC000157817371 496562922 /nfs/dbraw/zinc/56/29/22/496562922.db2.gz UYMWUZIEGJMHPY-UHFFFAOYSA-N -1 3 355.419 3.470 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)CCSc3ccccc3)nc21 ZINC000157817371 496562927 /nfs/dbraw/zinc/56/29/27/496562927.db2.gz UYMWUZIEGJMHPY-UHFFFAOYSA-N -1 3 355.419 3.470 20 0 FGADHM CC(C)Cn1cc([N-]S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)c(C(F)F)n1 ZINC000580848508 505852112 /nfs/dbraw/zinc/85/21/12/505852112.db2.gz CBQHGXIDRYNISF-VXGBXAGGSA-N -1 3 364.462 3.111 20 0 FGADHM O=C(Nc1ccc(Cn2cncn2)cc1)c1cn[n-]c1-c1ccsc1 ZINC000187793304 496574682 /nfs/dbraw/zinc/57/46/82/496574682.db2.gz UILIDODHIHXMRK-UHFFFAOYSA-N -1 3 350.407 3.030 20 0 FGADHM O=C(Nc1ccc(Cn2cncn2)cc1)c1c[n-]nc1-c1ccsc1 ZINC000187793304 496574686 /nfs/dbraw/zinc/57/46/86/496574686.db2.gz UILIDODHIHXMRK-UHFFFAOYSA-N -1 3 350.407 3.030 20 0 FGADHM O=C(NCCc1ccc(F)cc1)NCc1ccc([O-])c(Br)c1 ZINC000153780000 496577408 /nfs/dbraw/zinc/57/74/08/496577408.db2.gz ZNDIIKSTHHPTRI-UHFFFAOYSA-N -1 3 367.218 3.336 20 0 FGADHM CC(C)(c1nnc(NC(=O)c2cccc3nn[n-]c32)s1)c1ccccc1 ZINC000187804103 496577961 /nfs/dbraw/zinc/57/79/61/496577961.db2.gz VLHDNYKEAHLXRC-UHFFFAOYSA-N -1 3 364.434 3.388 20 0 FGADHM CC(C)(c1nnc(NC(=O)c2cccc3[n-]nnc32)s1)c1ccccc1 ZINC000187804103 496577966 /nfs/dbraw/zinc/57/79/66/496577966.db2.gz VLHDNYKEAHLXRC-UHFFFAOYSA-N -1 3 364.434 3.388 20 0 FGADHM CC(C)(c1nnc(NC(=O)c2cccc3n[n-]nc32)s1)c1ccccc1 ZINC000187804103 496577972 /nfs/dbraw/zinc/57/79/72/496577972.db2.gz VLHDNYKEAHLXRC-UHFFFAOYSA-N -1 3 364.434 3.388 20 0 FGADHM CC(C)CCOc1ccc(NC(=O)C(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000173182542 496584778 /nfs/dbraw/zinc/58/47/78/496584778.db2.gz PMZRSVIHPPAQTR-UHFFFAOYSA-N -1 3 374.412 3.211 20 0 FGADHM COc1ccccc1S(=O)(=O)[N-]c1cccc(CN2CCCCC2)c1 ZINC000153849766 496601468 /nfs/dbraw/zinc/60/14/68/496601468.db2.gz QWJZNDYDRHUMHW-UHFFFAOYSA-N -1 3 360.479 3.482 20 0 FGADHM CCCCN(C(=O)c1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1)c1ccccc1 ZINC000164411124 496611051 /nfs/dbraw/zinc/61/10/51/496611051.db2.gz DJABOZCTUDOXSQ-OAQYLSRUSA-N -1 3 365.433 3.188 20 0 FGADHM Cc1cccc(F)c1S(=O)(=O)[N-][C@H](C)c1cccc(-n2cccn2)c1 ZINC000185005426 496619098 /nfs/dbraw/zinc/61/90/98/496619098.db2.gz GMFVFVYADFHQOE-CQSZACIVSA-N -1 3 359.426 3.359 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)c3oc4c(c3C)C(=O)CCC4)[n-]c21 ZINC000178934906 496622093 /nfs/dbraw/zinc/62/20/93/496622093.db2.gz VELSAQDMELTPIE-UHFFFAOYSA-N -1 3 367.361 3.022 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3oc4c(c3C)C(=O)CCC4)nc21 ZINC000178934906 496622099 /nfs/dbraw/zinc/62/20/99/496622099.db2.gz VELSAQDMELTPIE-UHFFFAOYSA-N -1 3 367.361 3.022 20 0 FGADHM Cc1nc(COc2ccccc2/C=C/C(=O)[N-]OC[C@@H]2CCOC2)cs1 ZINC000187929908 496622518 /nfs/dbraw/zinc/62/25/18/496622518.db2.gz XMOGHBAYEKGPSM-LQYUOIDQSA-N -1 3 374.462 3.128 20 0 FGADHM C[C@@H](NC(=O)[C@H](C)N1CCC[C@H](C(=O)[O-])C1)c1cccc2ccccc21 ZINC000164625988 496623825 /nfs/dbraw/zinc/62/38/25/496623825.db2.gz DYLIWAWQYSUFGW-VYDXJSESSA-N -1 3 354.450 3.202 20 0 FGADHM COc1cccc(CNC(=O)c2cccc3nn[n-]c32)c1OC1CCCC1 ZINC000187962030 496632541 /nfs/dbraw/zinc/63/25/41/496632541.db2.gz NQIVJNABDMXZHA-UHFFFAOYSA-N -1 3 366.421 3.218 20 0 FGADHM COc1cccc(CNC(=O)c2cccc3[n-]nnc32)c1OC1CCCC1 ZINC000187962030 496632545 /nfs/dbraw/zinc/63/25/45/496632545.db2.gz NQIVJNABDMXZHA-UHFFFAOYSA-N -1 3 366.421 3.218 20 0 FGADHM COc1cccc(CNC(=O)c2cccc3n[n-]nc32)c1OC1CCCC1 ZINC000187962030 496632548 /nfs/dbraw/zinc/63/25/48/496632548.db2.gz NQIVJNABDMXZHA-UHFFFAOYSA-N -1 3 366.421 3.218 20 0 FGADHM O=C(Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)[C@H]1COCCO1 ZINC000179012091 496644932 /nfs/dbraw/zinc/64/49/32/496644932.db2.gz XTXZTLDTOUBAIF-OAHLLOKOSA-N -1 3 356.403 3.023 20 0 FGADHM Cc1ccccc1S(=O)(=O)[N-]c1cccc(CN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000154008224 496653091 /nfs/dbraw/zinc/65/30/91/496653091.db2.gz DJXUDTNLOZAHMP-CALCHBBNSA-N -1 3 374.506 3.405 20 0 FGADHM O=S(=O)([N-]Cc1coc(-c2ccccc2)n1)c1ccc(F)cc1F ZINC000173350381 496654610 /nfs/dbraw/zinc/65/46/10/496654610.db2.gz XSHPMJHSCUZPQH-UHFFFAOYSA-N -1 3 350.346 3.098 20 0 FGADHM CCc1ccc([C@H](COC)[N-]S(=O)(=O)c2cccc3cnccc32)o1 ZINC000173351250 496655449 /nfs/dbraw/zinc/65/54/49/496655449.db2.gz HAOYDMBEZSFZAL-INIZCTEOSA-N -1 3 360.435 3.056 20 0 FGADHM O=S(=O)([N-]c1ccc(O[C@H]2CCOC2)cc1)c1ccc2c(c1)CCC2 ZINC000158264941 496663089 /nfs/dbraw/zinc/66/30/89/496663089.db2.gz QKRWPKWZRZRYDV-SFHVURJKSA-N -1 3 359.447 3.144 20 0 FGADHM Cc1c(NC(=O)Cc2c(C)nc(C)[n-]c2=O)cnn1-c1ccc(Cl)cc1 ZINC000574802082 505858186 /nfs/dbraw/zinc/85/81/86/505858186.db2.gz VBRUDWOHESYYLK-UHFFFAOYSA-N -1 3 371.828 3.128 20 0 FGADHM O=C(Nc1ccc(Cl)c(F)c1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000182094380 496668320 /nfs/dbraw/zinc/66/83/20/496668320.db2.gz FLRPIQOBCFEVAQ-OAHLLOKOSA-N -1 3 362.788 3.428 20 0 FGADHM COc1cc(C(=O)N2CCC(N(C)c3ccccc3)CC2)cc(OC)c1[O-] ZINC000179123103 496682244 /nfs/dbraw/zinc/68/22/44/496682244.db2.gz ZOZSWOALTVBEFZ-UHFFFAOYSA-N -1 3 370.449 3.150 20 0 FGADHM O=C(Nc1cc2c(cc1Cl)NC(=O)CO2)c1c[n-]nc1-c1ccccc1 ZINC000173419497 496685022 /nfs/dbraw/zinc/68/50/22/496685022.db2.gz VUKVRRXVNCFJNZ-UHFFFAOYSA-N -1 3 368.780 3.313 20 0 FGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N(C)c1ccc(F)c(Cl)c1 ZINC000182140788 496685372 /nfs/dbraw/zinc/68/53/72/496685372.db2.gz VHDLZNIETDLCHE-UHFFFAOYSA-N -1 3 351.809 3.445 20 0 FGADHM O=C(Cc1ccc([O-])cc1Cl)Nc1ccccc1CN1CCOCC1 ZINC000182149210 496689401 /nfs/dbraw/zinc/68/94/01/496689401.db2.gz QLAMEMVYPALZMG-UHFFFAOYSA-N -1 3 360.841 3.059 20 0 FGADHM O=C(Nc1ccccc1[O-])c1cc(=O)[nH]c2c(Br)cccc12 ZINC000176123311 496693043 /nfs/dbraw/zinc/69/30/43/496693043.db2.gz LSJMAXKLWYLHNF-UHFFFAOYSA-N -1 3 359.179 3.249 20 0 FGADHM COC(=O)c1cc(S(=O)(=O)[N-][C@@H](C)c2ccccc2Cl)c(C)o1 ZINC000166910220 496694580 /nfs/dbraw/zinc/69/45/80/496694580.db2.gz KHOPVIQUEILFNY-VIFPVBQESA-N -1 3 357.815 3.068 20 0 FGADHM O=C(/C=C/c1cncc([O-])c1)N1CCC(OCc2ccc(F)cc2)CC1 ZINC000182177108 496697622 /nfs/dbraw/zinc/69/76/22/496697622.db2.gz NYMDWTNXOZCLLL-ZZXKWVIFSA-N -1 3 356.397 3.147 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)[C@@H](C)Oc3ccccc3Cl)[n-]c21 ZINC000158418790 496697726 /nfs/dbraw/zinc/69/77/26/496697726.db2.gz HBFCNFVLFJKEDG-SNVBAGLBSA-N -1 3 373.796 3.409 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@@H](C)Oc3ccccc3Cl)nc21 ZINC000158418790 496697731 /nfs/dbraw/zinc/69/77/31/496697731.db2.gz HBFCNFVLFJKEDG-SNVBAGLBSA-N -1 3 373.796 3.409 20 0 FGADHM CC(C)(C)OCC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000182201732 496705522 /nfs/dbraw/zinc/70/55/22/496705522.db2.gz CISDWNPYTKPZTB-UHFFFAOYSA-N -1 3 368.861 3.038 20 0 FGADHM CN(C)c1ncccc1CNC(=O)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000188241478 496721983 /nfs/dbraw/zinc/72/19/83/496721983.db2.gz UVGAUBZACRFWAY-UHFFFAOYSA-N -1 3 361.858 3.183 20 0 FGADHM C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)c1cccc([O-])c1 ZINC000182291903 496726787 /nfs/dbraw/zinc/72/67/87/496726787.db2.gz GBQMUYJFRPWPMJ-HNNXBMFYSA-N -1 3 367.449 3.140 20 0 FGADHM Cc1cccc(NC(=O)[C@@H]2CSCN2C(=O)c2cccc([O-])c2)c1C ZINC000182338738 496730352 /nfs/dbraw/zinc/73/03/52/496730352.db2.gz UCULOYJNXHMISD-KRWDZBQOSA-N -1 3 356.447 3.163 20 0 FGADHM COc1cccc(C[C@@H](NCc2nc3cc(Cl)ccc3n2C)C(=O)[O-])c1 ZINC000277319406 496735036 /nfs/dbraw/zinc/73/50/36/496735036.db2.gz NUCWYNFTVKEGQY-MRXNPFEDSA-N -1 3 373.840 3.021 20 0 FGADHM CCOC[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)C(C)C ZINC000188393510 496774217 /nfs/dbraw/zinc/77/42/17/496774217.db2.gz HYCCDHRNHNQLGB-GFCCVEGCSA-N -1 3 357.369 3.184 20 0 FGADHM CC(C)(C)[C@H](CC(=O)[O-])NCc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000277473078 496783885 /nfs/dbraw/zinc/78/38/85/496783885.db2.gz WFEFOHYYKCZGHX-AWEZNQCLSA-N -1 3 354.813 3.039 20 0 FGADHM COC(=O)c1cc([N-]C(=O)c2oc(CC(C)C)nc2C)c(F)cc1F ZINC000188423225 496784905 /nfs/dbraw/zinc/78/49/05/496784905.db2.gz CEERLROZJPJOAW-UHFFFAOYSA-N -1 3 352.337 3.499 20 0 FGADHM Cc1nc(C[C@H]2CCCN(C(=O)c3cc4c(cc3[O-])CCCC4)C2)no1 ZINC000264025156 496792444 /nfs/dbraw/zinc/79/24/44/496792444.db2.gz KXIWIGHPERGEIX-CQSZACIVSA-N -1 3 355.438 3.057 20 0 FGADHM CCC[C@@H](CCO)CNC(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000188588313 496843200 /nfs/dbraw/zinc/84/32/00/496843200.db2.gz QLLAHBKKODGWLN-HNNXBMFYSA-N -1 3 355.434 3.152 20 0 FGADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCOC2(CCOCC2)C1 ZINC000269023164 496850579 /nfs/dbraw/zinc/85/05/79/496850579.db2.gz FQIWEHIYNYDFPX-UHFFFAOYSA-N -1 3 369.417 3.206 20 0 FGADHM CC[C@@H](C)[C@@H]([N-]S(=O)(=O)c1ccc(F)c(NC(C)=O)c1)C(F)(F)F ZINC000277681581 496851627 /nfs/dbraw/zinc/85/16/27/496851627.db2.gz JJJYMHMCEFWAQU-AMIZOPFISA-N -1 3 370.368 3.039 20 0 FGADHM C[C@H](CCc1ccc(Br)cc1)[N-]S(=O)(=O)c1ccco1 ZINC000188625544 496856349 /nfs/dbraw/zinc/85/63/49/496856349.db2.gz CXLLDVCWQGWCBN-LLVKDONJSA-N -1 3 358.257 3.342 20 0 FGADHM COc1ccc2c(c1)[C@H](C(=O)Nc1cc(C)ccc1[N-]S(C)(=O)=O)CC2 ZINC000277744329 496872715 /nfs/dbraw/zinc/87/27/15/496872715.db2.gz UTPMQTDIYXPATI-OAHLLOKOSA-N -1 3 374.462 3.044 20 0 FGADHM O=C(N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)c1cccc2nn[n-]c21 ZINC000188696482 496880399 /nfs/dbraw/zinc/88/03/99/496880399.db2.gz ANRKBWIHBGYXQP-GOEBONIOSA-N -1 3 360.776 3.010 20 0 FGADHM O=C(N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)c1cccc2[n-]nnc21 ZINC000188696482 496880404 /nfs/dbraw/zinc/88/04/04/496880404.db2.gz ANRKBWIHBGYXQP-GOEBONIOSA-N -1 3 360.776 3.010 20 0 FGADHM O=C(N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)c1cccc2n[n-]nc21 ZINC000188696482 496880409 /nfs/dbraw/zinc/88/04/09/496880409.db2.gz ANRKBWIHBGYXQP-GOEBONIOSA-N -1 3 360.776 3.010 20 0 FGADHM CCC[C@@H]1C[C@@H](c2nc(-c3ccc([N-]S(C)(=O)=O)cc3)no2)CCO1 ZINC000273764551 496900390 /nfs/dbraw/zinc/90/03/90/496900390.db2.gz QMRBIQPQKPCQQR-DZGCQCFKSA-N -1 3 365.455 3.171 20 0 FGADHM C[C@H]1COCC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000277839594 496905543 /nfs/dbraw/zinc/90/55/43/496905543.db2.gz LUVOAJGTRWBCEF-GZMMTYOYSA-N -1 3 357.781 3.062 20 0 FGADHM CN1CC[C@@H](C[N-]S(=O)(=O)c2ccco2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000188795564 496911037 /nfs/dbraw/zinc/91/10/37/496911037.db2.gz AHYZIKKHHXZCGB-LRDDRELGSA-N -1 3 372.849 3.043 20 0 FGADHM Cc1nc(CCC(=O)Nc2nnc(C(F)(F)F)[n-]2)oc1-c1ccccc1 ZINC000264498617 496914473 /nfs/dbraw/zinc/91/44/73/496914473.db2.gz ZJOXQASFHFNHIY-UHFFFAOYSA-N -1 3 365.315 3.358 20 0 FGADHM Cc1nc(CCC(=O)Nc2nc(C(F)(F)F)n[n-]2)oc1-c1ccccc1 ZINC000264498617 496914478 /nfs/dbraw/zinc/91/44/78/496914478.db2.gz ZJOXQASFHFNHIY-UHFFFAOYSA-N -1 3 365.315 3.358 20 0 FGADHM COc1ncccc1C[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000191870968 496916004 /nfs/dbraw/zinc/91/60/04/496916004.db2.gz YEZOMSLGZWKJRX-UHFFFAOYSA-N -1 3 365.213 3.015 20 0 FGADHM O=c1[nH]c2cc(-c3nc(-c4cc(=O)[n-]cn4)no3)ccc2n1C1CCCC1 ZINC000574876954 505873599 /nfs/dbraw/zinc/87/35/99/505873599.db2.gz MLRJMVYREUVHIQ-UHFFFAOYSA-N -1 3 364.365 3.070 20 0 FGADHM CC(C)CN(C(=O)c1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1)c1ccccc1 ZINC000269334568 496922407 /nfs/dbraw/zinc/92/24/07/496922407.db2.gz OOUHSVFJXLUSAU-OAQYLSRUSA-N -1 3 365.433 3.044 20 0 FGADHM O=C(Nc1nnc(Cc2ccc(Cl)cc2)s1)c1cccc2nn[n-]c21 ZINC000188878987 496935001 /nfs/dbraw/zinc/93/50/01/496935001.db2.gz XWEQNLAWJKNCHU-UHFFFAOYSA-N -1 3 370.825 3.306 20 0 FGADHM O=C(Nc1nnc(Cc2ccc(Cl)cc2)s1)c1cccc2[n-]nnc21 ZINC000188878987 496935006 /nfs/dbraw/zinc/93/50/06/496935006.db2.gz XWEQNLAWJKNCHU-UHFFFAOYSA-N -1 3 370.825 3.306 20 0 FGADHM O=C(Nc1nnc(Cc2ccc(Cl)cc2)s1)c1cccc2n[n-]nc21 ZINC000188878987 496935013 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/nfs/dbraw/zinc/06/74/30/497067430.db2.gz KUNRLVSKUUCZOQ-FNXXIHLHSA-N -1 3 371.481 3.076 20 0 FGADHM Cc1ccc([C@@H](CNC(=O)c2cccc(C(=O)[O-])c2)N2CCCC2)cc1 ZINC000574916300 505882885 /nfs/dbraw/zinc/88/28/85/505882885.db2.gz JPSFOJGPIUVMKX-LJQANCHMSA-N -1 3 352.434 3.260 20 0 FGADHM Cn1cc(Br)c(=NC(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)[n-]1 ZINC000574918598 505883345 /nfs/dbraw/zinc/88/33/45/505883345.db2.gz RJCLMROVCZIYBB-NXEZZACHSA-N -1 3 354.635 3.000 20 0 FGADHM CCOc1c(Cl)cccc1CC(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000189367726 497096971 /nfs/dbraw/zinc/09/69/71/497096971.db2.gz XTTKWLVEXOKZDU-UHFFFAOYSA-N -1 3 371.828 3.024 20 0 FGADHM CCOc1c(Cl)cccc1CC(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000189367726 497096978 /nfs/dbraw/zinc/09/69/78/497096978.db2.gz XTTKWLVEXOKZDU-UHFFFAOYSA-N -1 3 371.828 3.024 20 0 FGADHM Cc1cc(CS(=O)(=O)[N-][C@H](Cc2ccc(C)cc2)c2ccccn2)no1 ZINC000265323375 497099178 /nfs/dbraw/zinc/09/91/78/497099178.db2.gz LCXAOMKFOAMJIA-LJQANCHMSA-N -1 3 371.462 3.090 20 0 FGADHM 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ZINC000189543678 497157409 /nfs/dbraw/zinc/15/74/09/497157409.db2.gz VGHMOIFFWMHSOB-UHFFFAOYSA-N -1 3 358.405 3.488 20 0 FGADHM O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1cccc2nn[n-]c21 ZINC000189554445 497161053 /nfs/dbraw/zinc/16/10/53/497161053.db2.gz LGJMKVWWBQYBML-UHFFFAOYSA-N -1 3 373.420 3.195 20 0 FGADHM O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1cccc2[n-]nnc21 ZINC000189554445 497161056 /nfs/dbraw/zinc/16/10/56/497161056.db2.gz LGJMKVWWBQYBML-UHFFFAOYSA-N -1 3 373.420 3.195 20 0 FGADHM O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1cccc2n[n-]nc21 ZINC000189554445 497161059 /nfs/dbraw/zinc/16/10/59/497161059.db2.gz LGJMKVWWBQYBML-UHFFFAOYSA-N -1 3 373.420 3.195 20 0 FGADHM Cc1ccc([C@H]2C[C@@H](C)N(C(=O)CCc3c(C)nc(C)[n-]c3=O)C2)cc1 ZINC000278602273 497163919 /nfs/dbraw/zinc/16/39/19/497163919.db2.gz CICSCGIVQKIXIO-KDOFPFPSSA-N -1 3 353.466 3.445 20 0 FGADHM Cn1cnc(-c2ccc(NC(=O)c3cc([O-])ccc3C(F)(F)F)cc2)n1 ZINC000189564153 497164922 /nfs/dbraw/zinc/16/49/22/497164922.db2.gz DKJOSJCVAKWJJR-UHFFFAOYSA-N -1 3 362.311 3.459 20 0 FGADHM CC[C@@H](NC(=O)c1cc(OC)c([O-])c(OC)c1)c1ccc2c(c1)OCCO2 ZINC000270636198 497167596 /nfs/dbraw/zinc/16/75/96/497167596.db2.gz FGLCWQSTAARPSA-CQSZACIVSA-N -1 3 373.405 3.062 20 0 FGADHM CC[C@H](C)N(CC(=O)[O-])C(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000236907364 497167681 /nfs/dbraw/zinc/16/76/81/497167681.db2.gz BQNGLSFTQGEAFJ-DLBZAZTESA-N -1 3 360.498 3.041 20 0 FGADHM [O-]C(=NOC[C@@H]1CCOC1)Nc1ccc(Cl)cc1OCC(F)(F)F ZINC000189601693 497177299 /nfs/dbraw/zinc/17/72/99/497177299.db2.gz VAVIYGDXCFPJCI-SECBINFHSA-N -1 3 368.739 3.371 20 0 FGADHM O=C([N-]OC[C@@H]1CCOC1)Nc1ccc(Cl)cc1OCC(F)(F)F ZINC000189601693 497177303 /nfs/dbraw/zinc/17/73/03/497177303.db2.gz VAVIYGDXCFPJCI-SECBINFHSA-N -1 3 368.739 3.371 20 0 FGADHM O=C(c1ccccc1[O-])N1CCN(CCSCc2ccccc2)CC1 ZINC000192678902 497182404 /nfs/dbraw/zinc/18/24/04/497182404.db2.gz DVILJPBISGTFEN-UHFFFAOYSA-N -1 3 356.491 3.083 20 0 FGADHM COc1cc(C(=O)N[C@@H](c2ccccc2)[C@@H]2CCCO2)cc(OC)c1[O-] ZINC000270705753 497183709 /nfs/dbraw/zinc/18/37/09/497183709.db2.gz NEGPNWXRZRVROC-YJBOKZPZSA-N -1 3 357.406 3.060 20 0 FGADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1ccc(OC(F)F)c2cccnc12 ZINC000274875389 497188412 /nfs/dbraw/zinc/18/84/12/497188412.db2.gz XGXZTSIKSAXQTE-CYBMUJFWSA-N -1 3 353.325 3.416 20 0 FGADHM O=C([N-]O[C@@H]1CCCCO1)Nc1ccc(OC(F)F)c2cccnc12 ZINC000274875389 497188417 /nfs/dbraw/zinc/18/84/17/497188417.db2.gz XGXZTSIKSAXQTE-CYBMUJFWSA-N -1 3 353.325 3.416 20 0 FGADHM COc1cc(C(=O)Nc2cc(NC(=O)C3CC3)ccc2C)cc(OC)c1[O-] ZINC000270767320 497197772 /nfs/dbraw/zinc/19/77/72/497197772.db2.gz ZBMKVSRSYIIOAW-UHFFFAOYSA-N -1 3 370.405 3.319 20 0 FGADHM O=C(CCC(=O)[N-]OCCC(F)(F)F)CCC(=O)c1cccs1 ZINC000275084620 497233328 /nfs/dbraw/zinc/23/33/28/497233328.db2.gz OYGFXEOFECHBII-UHFFFAOYSA-N -1 3 351.346 3.061 20 0 FGADHM COc1cc(C(=O)N[C@@H](C[C@H]2CCOC2)c2ccccc2)cc(OC)c1[O-] ZINC000270963962 497233869 /nfs/dbraw/zinc/23/38/69/497233869.db2.gz HCUCSKMBRJOGRH-PBHICJAKSA-N -1 3 371.433 3.307 20 0 FGADHM CCCC[C@H](CC)CNC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000192872951 497234311 /nfs/dbraw/zinc/23/43/11/497234311.db2.gz OYWLFCAIZLUEQQ-INIZCTEOSA-N -1 3 361.486 3.076 20 0 FGADHM CCOCCCC[N-]S(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000266184888 497275380 /nfs/dbraw/zinc/27/53/80/497275380.db2.gz GVKZCDAEBOTEMA-UHFFFAOYSA-N -1 3 356.271 3.097 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)[C@H]1CCOC1 ZINC000266199479 497278452 /nfs/dbraw/zinc/27/84/52/497278452.db2.gz ODVBLFDOEVFBDT-IUCAKERBSA-N -1 3 357.781 3.062 20 0 FGADHM COC[C@@H](C)n1ccc(NCc2cc(Br)c([O-])c(OC)c2)n1 ZINC000189890333 497281935 /nfs/dbraw/zinc/28/19/35/497281935.db2.gz LZRWIBFUAPXOGS-SNVBAGLBSA-N -1 3 370.247 3.179 20 0 FGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1ccc(OC2CCC2)cc1 ZINC000266216084 497282651 /nfs/dbraw/zinc/28/26/51/497282651.db2.gz AOKPXPSMDZYTBB-UHFFFAOYSA-N -1 3 360.435 3.242 20 0 FGADHM CCSc1cc(C(=O)Nc2cc(C)ccc2[N-]S(C)(=O)=O)ccn1 ZINC000266250887 497288451 /nfs/dbraw/zinc/28/84/51/497288451.db2.gz 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ZINC000193236098 497330248 /nfs/dbraw/zinc/33/02/48/497330248.db2.gz IWGWFQLQMDEZIA-UHFFFAOYSA-N -1 3 366.458 3.208 20 0 FGADHM Cc1ccc(C(=O)N(C)Cc2nc([C@@H](C)OCC(C)C)no2)c([O-])c1C ZINC000271404373 497340238 /nfs/dbraw/zinc/34/02/38/497340238.db2.gz OLHJUYXTNXXICT-CQSZACIVSA-N -1 3 361.442 3.398 20 0 FGADHM O=C(N=c1cc2ccccn2[n-]1)c1cnc(-c2ccc(F)c(F)c2)s1 ZINC000572145937 505900680 /nfs/dbraw/zinc/90/06/80/505900680.db2.gz ZWRNVLFYYUOJEJ-UHFFFAOYSA-N -1 3 356.357 3.410 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)c1 ZINC000266501489 497358329 /nfs/dbraw/zinc/35/83/29/497358329.db2.gz KVALRACVLSRGFU-HXPMCKFVSA-N -1 3 372.396 3.092 20 0 FGADHM CCOC(=O)c1ccsc1[N-]C(=O)C(=O)N(C)[C@@H](C)c1ccccc1C ZINC000266514806 497361334 /nfs/dbraw/zinc/36/13/34/497361334.db2.gz GNZPCSJMCRDTJI-ZDUSSCGKSA-N -1 3 374.462 3.391 20 0 FGADHM CCc1c(C(=O)[N-]c2nc(C)ns2)nnn1-c1ccc(OC(C)C)cc1 ZINC000266512563 497361445 /nfs/dbraw/zinc/36/14/45/497361445.db2.gz CBUVKESBMXSMDP-UHFFFAOYSA-N 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497382306 /nfs/dbraw/zinc/38/23/06/497382306.db2.gz NNAMVLBDPYDEKH-ADLMAVQZSA-N -1 3 363.385 3.055 20 0 FGADHM COc1cc(C(=O)N[C@@H](C)[C@@H](OC)c2ccc(F)cc2)cc(OC)c1[O-] ZINC000271556191 497382357 /nfs/dbraw/zinc/38/23/57/497382357.db2.gz NNAMVLBDPYDEKH-BBATYDOGSA-N -1 3 363.385 3.055 20 0 FGADHM CC(C)CO[C@H](C)c1noc(CO[N-]C(=O)CCCc2ccccc2)n1 ZINC000266630177 497386290 /nfs/dbraw/zinc/38/62/90/497386290.db2.gz PCMGADVNCRGZRL-OAHLLOKOSA-N -1 3 361.442 3.374 20 0 FGADHM O=C(NC[C@@H](CO)c1ccccc1)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000190228610 497407235 /nfs/dbraw/zinc/40/72/35/497407235.db2.gz WRKASAGDDSJNSD-LBPRGKRZSA-N -1 3 361.854 3.298 20 0 FGADHM CCc1ccc([C@H]2CCCN(C(=O)c3ccc4c(c3)C(=O)[N-]C4=O)C2)cc1 ZINC000572167624 505906082 /nfs/dbraw/zinc/90/60/82/505906082.db2.gz LZDKUODNEKCDMU-KRWDZBQOSA-N -1 3 362.429 3.152 20 0 FGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2C[C@H](C)CC2(C)C)cc1OC ZINC000266908482 497443853 /nfs/dbraw/zinc/44/38/53/497443853.db2.gz JIEKJGWLTFRNEB-GFCCVEGCSA-N -1 3 369.487 3.109 20 0 FGADHM Cc1ccc(NC(=O)c2cc([O-])ccc2C(F)(F)F)cc1S(C)(=O)=O ZINC000193693818 497448487 /nfs/dbraw/zinc/44/84/87/497448487.db2.gz DMMHOWTWTKSFPS-UHFFFAOYSA-N -1 3 373.352 3.375 20 0 FGADHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)C[C@H](C)O1 ZINC000245568169 497459967 /nfs/dbraw/zinc/45/99/67/497459967.db2.gz FUBFGLNOUVNHPT-DOFRTFSJSA-N -1 3 355.353 3.079 20 0 FGADHM O=C([N-]c1ncn(Cc2ccc(Cl)cc2)n1)c1noc2c1CCCC2 ZINC000267088403 497483743 /nfs/dbraw/zinc/48/37/43/497483743.db2.gz HXLXENQWCKTCHP-UHFFFAOYSA-N -1 3 357.801 3.099 20 0 FGADHM CN(C(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1)c1ccc(F)cc1 ZINC000190469427 497492862 /nfs/dbraw/zinc/49/28/62/497492862.db2.gz SGFZMJCRCDRVCU-UHFFFAOYSA-N -1 3 371.412 3.438 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(C(F)F)cc1)c1nc(C(C)(C)C)no1 ZINC000572193192 505911315 /nfs/dbraw/zinc/91/13/15/505911315.db2.gz OGSPSBYELDDOHO-SECBINFHSA-N -1 3 359.398 3.344 20 0 FGADHM Cc1c(C(=O)[N-]c2nnc(C(C)C)s2)nnn1Cc1ccc(F)cc1 ZINC000193899684 497514744 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FGADHM CSCCO[N-]C(=O)/C=C/c1ccccc1OCc1csc(C)n1 ZINC000280016460 497620864 /nfs/dbraw/zinc/62/08/64/497620864.db2.gz NMQDIEUKGUACLY-BQYQJAHWSA-N -1 3 364.492 3.455 20 0 FGADHM CCc1ccc(C(=O)N2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)c([O-])c1 ZINC000190851606 497622773 /nfs/dbraw/zinc/62/27/73/497622773.db2.gz CFZPUJCHIIUCGM-MRXNPFEDSA-N -1 3 371.412 3.130 20 0 FGADHM CCc1ccc([C@@H]2CN(C(=O)c3c[n-]c4ccccc4c3=O)CCO2)cc1 ZINC000190874476 497629819 /nfs/dbraw/zinc/62/98/19/497629819.db2.gz RSULDLAAWBYQNM-FQEVSTJZSA-N -1 3 362.429 3.304 20 0 FGADHM Cc1cc(C(=O)N2CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)ccc1[O-] ZINC000272476411 497639493 /nfs/dbraw/zinc/63/94/93/497639493.db2.gz QDRHTVTXRBTWFA-GOEBONIOSA-N -1 3 362.470 3.466 20 0 FGADHM O=C(c1ccc(S[C@H]2CCOC2=O)cc1)N1CCCc2cccc([O-])c21 ZINC000272511797 497648230 /nfs/dbraw/zinc/64/82/30/497648230.db2.gz OWXJKJLRTDINQG-KRWDZBQOSA-N -1 3 369.442 3.393 20 0 FGADHM C[C@@H]1CCN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000272575368 497666885 /nfs/dbraw/zinc/66/68/85/497666885.db2.gz SQNALVSKATZALK-BEFAXECRSA-N -1 3 352.434 3.122 20 0 FGADHM Cc1c(C(=O)[N-]c2c(F)cc(Cl)cc2F)nnn1Cc1ccncc1 ZINC000581155483 505922371 /nfs/dbraw/zinc/92/23/71/505922371.db2.gz XIHPZJJIWBVHNW-UHFFFAOYSA-N -1 3 363.755 3.214 20 0 FGADHM C[C@@H](c1nc(C(F)(F)F)cs1)N1C(=O)[N-][C@@H](CC(F)(F)F)C1=O ZINC000280196084 497678133 /nfs/dbraw/zinc/67/81/33/497678133.db2.gz SMSMPBDNKGFMHR-WHFBIAKZSA-N -1 3 361.267 3.096 20 0 FGADHM C[C@@H]1C[C@@H](NC(=O)c2cc(=O)c3ccccc3[n-]2)CN1Cc1ccccc1 ZINC000268135998 497684620 /nfs/dbraw/zinc/68/46/20/497684620.db2.gz CJLZOXYSWBKOMB-NVXWUHKLSA-N -1 3 361.445 3.333 20 0 FGADHM C[C@@H]1CCCC[C@@H]1NC(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000194537575 497698852 /nfs/dbraw/zinc/69/88/52/497698852.db2.gz UAUJSVWVDDIBLQ-ZBFHGGJFSA-N -1 3 359.470 3.331 20 0 FGADHM COc1cc(CN2C[C@@H](C)C[C@H](C(=O)[O-])C2)ccc1OCc1ccncc1 ZINC000263095786 497704409 /nfs/dbraw/zinc/70/44/09/497704409.db2.gz VKAFEVAPVKRPJE-YJBOKZPZSA-N -1 3 370.449 3.212 20 0 FGADHM COc1cc(CNCc2ccccc2CC(=O)[O-])ccc1OC(F)F ZINC000276979068 497705956 /nfs/dbraw/zinc/70/59/56/497705956.db2.gz ICIBOPCTUXWGQW-UHFFFAOYSA-N -1 3 351.349 3.214 20 0 FGADHM CC(C)c1ccc([C@H](NC(=O)CN2CC[C@](C)(C(=O)[O-])C2)C(C)C)cc1 ZINC000263131704 497713826 /nfs/dbraw/zinc/71/38/26/497713826.db2.gz LPRMCEWEERKTPX-CTNGQTDRSA-N -1 3 360.498 3.420 20 0 FGADHM Cc1ccc([C@@H](CNC(=O)NC2CCC(C(=O)[O-])CC2)N2CCCC2)cc1 ZINC000263139802 497715708 /nfs/dbraw/zinc/71/57/08/497715708.db2.gz ZQJFDJFHIZAOLI-CTWPCTMYSA-N -1 3 373.497 3.075 20 0 FGADHM Cc1cc([N-]C(=O)Cn2nc(C)nc2-c2ccc(Cl)c(Cl)c2)on1 ZINC000194605660 497717016 /nfs/dbraw/zinc/71/70/16/497717016.db2.gz ZQDYLCOAOIFASR-UHFFFAOYSA-N -1 3 366.208 3.495 20 0 FGADHM O=S(=O)([N-][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)c1ccc(F)cc1Cl ZINC000246427769 497731222 /nfs/dbraw/zinc/73/12/22/497731222.db2.gz IKEIOAYLTINFON-NILFDRSVSA-N -1 3 359.850 3.105 20 0 FGADHM C[C@H](Cc1cccc(Br)c1)NC(=O)c1ccc2n[n-]nc2c1 ZINC000194684534 497738493 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ZINC000296928559 498254580 /nfs/dbraw/zinc/25/45/80/498254580.db2.gz GBLHTQRYVWGHKZ-UHFFFAOYSA-N -1 3 357.806 3.071 20 0 FGADHM Cc1ccc([O-])c(CN[C@@H]2CCCN([C@@H](C)c3ccc(F)cc3)C2=O)n1 ZINC000293069847 498257000 /nfs/dbraw/zinc/25/70/00/498257000.db2.gz SUFGKNIMISKXIM-WMLDXEAASA-N -1 3 357.429 3.077 20 0 FGADHM Cc1nc(C)c(S(=O)(=O)[N-]C[C@H]2CCCC[C@@H]2C(F)(F)F)s1 ZINC000331219085 498277669 /nfs/dbraw/zinc/27/76/69/498277669.db2.gz SJFIQSAQSLOTJN-MNOVXSKESA-N -1 3 356.435 3.407 20 0 FGADHM [O-]c1ccccc1-c1nc(CSc2nnc(N3CCCC3)s2)no1 ZINC000365083450 498288163 /nfs/dbraw/zinc/28/81/63/498288163.db2.gz VEHRHHZVMHMQJI-UHFFFAOYSA-N -1 3 361.452 3.186 20 0 FGADHM COc1cc(C(=O)N(C)CCCOCc2ccccc2)cc(OC)c1[O-] ZINC000281858599 498293776 /nfs/dbraw/zinc/29/37/76/498293776.db2.gz ZLWXXRJCHBGARW-UHFFFAOYSA-N -1 3 359.422 3.088 20 0 FGADHM CN([C@H]1CCO[C@H](c2ccc(F)cc2)C1)S(=O)(=O)c1ccc([O-])cc1 ZINC000581544613 506011966 /nfs/dbraw/zinc/01/19/66/506011966.db2.gz FBBIOTAISYIBBS-YJBOKZPZSA-N -1 3 365.426 3.072 20 0 FGADHM C[C@H]1C(=O)CC[C@@H]1CC(=O)[N-]OCc1ccc(F)cc1Br ZINC000281894099 498307682 /nfs/dbraw/zinc/30/76/82/498307682.db2.gz PMJUHBJOBAGGHL-NXEZZACHSA-N -1 3 358.207 3.141 20 0 FGADHM CC(C)(C)OC(=O)N[C@@H]1CCC[C@@]12CCN(C(=O)c1cccc([O-])c1)C2 ZINC000365149072 498323324 /nfs/dbraw/zinc/32/33/24/498323324.db2.gz VMUUDRYVAQPQPV-UZLBHIALSA-N -1 3 360.454 3.302 20 0 FGADHM COc1ccc(C(=O)CCCC(=O)Nc2nnc(-c3ccco3)[n-]2)cc1 ZINC000572629397 506015800 /nfs/dbraw/zinc/01/58/00/506015800.db2.gz SLEDMDKIFLTKAL-UHFFFAOYSA-N -1 3 354.366 3.065 20 0 FGADHM COc1ccc(C(=O)CCCC(=O)Nc2nc(-c3ccco3)n[n-]2)cc1 ZINC000572629397 506015804 /nfs/dbraw/zinc/01/58/04/506015804.db2.gz SLEDMDKIFLTKAL-UHFFFAOYSA-N -1 3 354.366 3.065 20 0 FGADHM COc1ccc(C(=O)CCCC(=O)Nc2n[n-]c(-c3ccco3)n2)cc1 ZINC000572629397 506015809 /nfs/dbraw/zinc/01/58/09/506015809.db2.gz SLEDMDKIFLTKAL-UHFFFAOYSA-N -1 3 354.366 3.065 20 0 FGADHM O=C(c1ccc(Cl)c(Cl)c1[O-])N1CCCN(C2CCOCC2)CC1 ZINC000360955232 498326059 /nfs/dbraw/zinc/32/60/59/498326059.db2.gz BEFXWBBHJKAOLM-UHFFFAOYSA-N -1 3 373.280 3.026 20 0 FGADHM Cn1cc(Br)c(C(=O)Nc2cc(C(C)(C)C)ccc2[O-])n1 ZINC000293445587 498387097 /nfs/dbraw/zinc/38/70/97/498387097.db2.gz SAXDKSXDIUZSFU-UHFFFAOYSA-N -1 3 352.232 3.438 20 0 FGADHM CO[C@H](C)CS(=O)(=O)[N-]c1cccc(C(=O)Nc2ccccc2)c1C ZINC000282134077 498395612 /nfs/dbraw/zinc/39/56/12/498395612.db2.gz CURFOQFVOFNSIG-CYBMUJFWSA-N -1 3 362.451 3.024 20 0 FGADHM Cc1nccn1C[C@H](C)C[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000575887321 506026828 /nfs/dbraw/zinc/02/68/28/506026828.db2.gz XNWDJMURAKAHQU-MRVPVSSYSA-N -1 3 368.311 3.174 20 0 FGADHM COCc1nc(C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cs1 ZINC000290033125 498401690 /nfs/dbraw/zinc/40/16/90/498401690.db2.gz CCBTVCDOSAIVLP-UHFFFAOYSA-N -1 3 367.279 3.075 20 0 FGADHM COc1cc(CN2CC[C@@H](C)[C@@H](C(=O)[O-])C2)ccc1OCc1ccncc1 ZINC000569846184 506029698 /nfs/dbraw/zinc/02/96/98/506029698.db2.gz RPYJWVLJPLMVAT-QAPCUYQASA-N -1 3 370.449 3.212 20 0 FGADHM COc1ccc2c(c1)CCCN([C@@H](C(=O)[O-])c1cc(OC)cc(OC)c1)C2 ZINC000569857616 506032729 /nfs/dbraw/zinc/03/27/29/506032729.db2.gz PTBCPFMIPOKESE-HXUWFJFHSA-N -1 3 371.433 3.287 20 0 FGADHM O=C(NCc1ccc(OCC(F)(F)F)nc1)c1cc([O-])ccc1Cl ZINC000581636496 506033309 /nfs/dbraw/zinc/03/33/09/506033309.db2.gz BDGBZCLYJCNBKN-UHFFFAOYSA-N -1 3 360.719 3.312 20 0 FGADHM C[C@H](C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1)[C@H](N)c1ccccc1 ZINC000361968701 498445968 /nfs/dbraw/zinc/44/59/68/498445968.db2.gz OPGVHEYAKNBQFY-YWZLYKJASA-N -1 3 366.461 3.150 20 0 FGADHM C[C@@H](NC(=O)c1cc([O-])ccc1C(F)(F)F)c1nnc2n1CCCCC2 ZINC000365409584 498452134 /nfs/dbraw/zinc/45/21/34/498452134.db2.gz KCPJEBIIUQUBBR-SNVBAGLBSA-N -1 3 368.359 3.220 20 0 FGADHM CCOCC1(c2nc(Cc3nc(=O)c4c(C5CC5)csc4[n-]3)no2)CC1 ZINC000290229316 498473846 /nfs/dbraw/zinc/47/38/46/498473846.db2.gz XOQLJIIHYRIEOA-UHFFFAOYSA-N -1 3 372.450 3.316 20 0 FGADHM Cc1ccc([C@H]2CCCCN2C(=O)c2ccc([N-]S(C)(=O)=O)cc2)o1 ZINC000331856685 498478191 /nfs/dbraw/zinc/47/81/91/498478191.db2.gz ASVIBEADZDNJKR-MRXNPFEDSA-N -1 3 362.451 3.327 20 0 FGADHM CCOC(=O)c1nc(C2CCN(C(=O)CCCC3CCCC3)CC2)n[n-]1 ZINC000365462556 498479482 /nfs/dbraw/zinc/47/94/82/498479482.db2.gz OBSHCRHJKFXYJA-UHFFFAOYSA-N -1 3 362.474 3.048 20 0 FGADHM CCOC(=O)c1nnc(C2CCN(C(=O)CCCC3CCCC3)CC2)[n-]1 ZINC000365462556 498479486 /nfs/dbraw/zinc/47/94/86/498479486.db2.gz OBSHCRHJKFXYJA-UHFFFAOYSA-N -1 3 362.474 3.048 20 0 FGADHM CC[C@@H]1CCC[C@@H](NC(=O)NC2CCN(C(=O)c3cccc([O-])c3)CC2)C1 ZINC000365477891 498487059 /nfs/dbraw/zinc/48/70/59/498487059.db2.gz KKRXBXIFYBKMNM-CRAIPNDOSA-N -1 3 373.497 3.265 20 0 FGADHM O=C(Cc1ccc([O-])c(F)c1)N1CCN(c2nccc3sccc32)CC1 ZINC000569900432 506042342 /nfs/dbraw/zinc/04/23/42/506042342.db2.gz JZJXFSVASHWYGR-UHFFFAOYSA-N -1 3 371.437 3.032 20 0 FGADHM O=C(N[C@H]1CCN(c2ccccc2Cl)C1=O)c1cc([O-])ccc1Cl ZINC000365483631 498491561 /nfs/dbraw/zinc/49/15/61/498491561.db2.gz ZATFSAGOKVIWOQ-AWEZNQCLSA-N -1 3 365.216 3.234 20 0 FGADHM Cc1cc(C)c2ncc(C(=O)[O-])c(N3C[C@@]4(CCOC4)OC(C)(C)C3)c2c1 ZINC000575992218 506050612 /nfs/dbraw/zinc/05/06/12/506050612.db2.gz VDQHMPMLSRNTMT-OAQYLSRUSA-N -1 3 370.449 3.324 20 0 FGADHM CC(=O)N(c1nc(/C=C/C(=O)[N-]OCC2CC2)cs1)c1ccccc1 ZINC000293856493 498512291 /nfs/dbraw/zinc/51/22/91/498512291.db2.gz VLNMJWMEOVYDPW-MDZDMXLPSA-N -1 3 357.435 3.299 20 0 FGADHM CCCCc1ccc(NC(=O)N2CCC[C@@H]2C[C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000286804788 498514069 /nfs/dbraw/zinc/51/40/69/498514069.db2.gz AXGBSYFBBRPUAE-OXQOHEQNSA-N -1 3 372.469 3.014 20 0 FGADHM C[C@H](CC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1)c1ccccc1 ZINC000290392194 498535332 /nfs/dbraw/zinc/53/53/32/498535332.db2.gz PAOTYMKGFXAXAV-ZIAGYGMSSA-N -1 3 356.388 3.097 20 0 FGADHM COc1ccc(-c2nc(Sc3ncccn3)n[n-]2)cc1Br ZINC000302718850 498544957 /nfs/dbraw/zinc/54/49/57/498544957.db2.gz ZEKVKEMMGLVKBS-UHFFFAOYSA-N -1 3 364.228 3.184 20 0 FGADHM O=C([N-]C[C@H]1CCCN(C(=O)c2csc3c2CCCC3)C1)C(F)(F)F ZINC000290435568 498552008 /nfs/dbraw/zinc/55/20/08/498552008.db2.gz STGDTUXFORRSME-LLVKDONJSA-N -1 3 374.428 3.158 20 0 FGADHM Cc1nsc(NC2CC2)c1C(=O)[N-]c1nnc(C2CCOCC2)s1 ZINC000294005852 498560644 /nfs/dbraw/zinc/56/06/44/498560644.db2.gz DHYYEXYFRNPGCB-UHFFFAOYSA-N -1 3 365.484 3.024 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC[C@@]4(CCCCO4)C3)nc2)n1 ZINC000365622358 498562833 /nfs/dbraw/zinc/56/28/33/498562833.db2.gz FKCMVEMYFDRIOJ-FQEVSTJZSA-N -1 3 354.454 3.346 20 0 FGADHM O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)c1cc([O-])ccc1Cl ZINC000290470850 498564751 /nfs/dbraw/zinc/56/47/51/498564751.db2.gz QFOYBUSVZPJPOF-KRWDZBQOSA-N -1 3 374.868 3.067 20 0 FGADHM CC(=O)NCc1ccc(S(=O)(=O)[N-][C@@H]2CC[C@@H]3CCCC[C@H]3C2)s1 ZINC000332128169 498571896 /nfs/dbraw/zinc/57/18/96/498571896.db2.gz GHDWRMMAEJDMTI-SOUVJXGZSA-N -1 3 370.540 3.021 20 0 FGADHM O=C(N[C@@H]1COc2ccc(F)cc2C1)c1cc([O-])ccc1C(F)(F)F ZINC000365659653 498583321 /nfs/dbraw/zinc/58/33/21/498583321.db2.gz NHUSLXQNOAMVFK-NSHDSACASA-N -1 3 355.287 3.284 20 0 FGADHM Cn1cc([C@@H](NC(=O)c2ccc3c(c2[O-])CCCC3)C(F)(F)F)cn1 ZINC000332164487 498585402 /nfs/dbraw/zinc/58/54/02/498585402.db2.gz WIEKNBZZKNIIOU-OAHLLOKOSA-N -1 3 353.344 3.038 20 0 FGADHM O=c1nc(CN[C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)[n-]c2ccsc21 ZINC000297945600 498616805 /nfs/dbraw/zinc/61/68/05/498616805.db2.gz ARKGXAHFHZXBHH-IUODEOHRSA-N -1 3 363.389 3.295 20 0 FGADHM Cc1scc(C(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)c1C ZINC000332247682 498617801 /nfs/dbraw/zinc/61/78/01/498617801.db2.gz BMAYJZMVDFTXJA-UHFFFAOYSA-N -1 3 358.463 3.105 20 0 FGADHM Cc1cc(C(=O)N=c2nc(-c3ccccc3Cl)[n-]n2C)nn1C(C)(C)C ZINC000365761262 498629367 /nfs/dbraw/zinc/62/93/67/498629367.db2.gz HAWKSLWUUCNBJE-UHFFFAOYSA-N -1 3 372.860 3.070 20 0 FGADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCC[C@@H](CO)CC1 ZINC000570002013 506065443 /nfs/dbraw/zinc/06/54/43/506065443.db2.gz KKEGIVLRSNZZNO-LJQANCHMSA-N -1 3 353.462 3.412 20 0 FGADHM COC(=O)C(C)(C)NCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000298055272 498651051 /nfs/dbraw/zinc/65/10/51/498651051.db2.gz IGRFGBKGLSZUAN-UHFFFAOYSA-N -1 3 357.435 3.105 20 0 FGADHM O=S(=O)([N-]CCOc1ccccc1)c1cc(C(F)(F)F)ccc1F ZINC000303195353 498654839 /nfs/dbraw/zinc/65/48/39/498654839.db2.gz NAWNMYBPVWHOPG-UHFFFAOYSA-N -1 3 363.332 3.202 20 0 FGADHM CCc1cc2c(CN3CCC(c4ccncn4)CC3)cc(=O)oc2cc1[O-] ZINC000298070552 498655540 /nfs/dbraw/zinc/65/55/40/498655540.db2.gz GZGNSBCEFBVBNF-UHFFFAOYSA-N -1 3 365.433 3.231 20 0 FGADHM C[C@@H]1CCCN(C(=O)C(=O)[N-]c2nc3cc(Cl)c(Cl)cc3n2C)C1 ZINC000332343129 498656252 /nfs/dbraw/zinc/65/62/52/498656252.db2.gz NITHYCCIBLELMM-SECBINFHSA-N -1 3 369.252 3.077 20 0 FGADHM Cc1ccc([O-])c(C(=O)N2CCC(C(=O)N(C)c3ccccc3)CC2)c1 ZINC000363126600 498665381 /nfs/dbraw/zinc/66/53/81/498665381.db2.gz LFIHTSMKAONNDU-UHFFFAOYSA-N -1 3 352.434 3.216 20 0 FGADHM Cc1cc(C(=O)NC2CCN(C(=O)c3cccc([O-])c3)CC2)cc(C)c1F ZINC000363144888 498673093 /nfs/dbraw/zinc/67/30/93/498673093.db2.gz GIFVDDAKUSTEMA-UHFFFAOYSA-N -1 3 370.424 3.183 20 0 FGADHM COc1cccc2c1n[n-]c2C(=O)Nc1nc(C2CCOCC2)cs1 ZINC000290777647 498676218 /nfs/dbraw/zinc/67/62/18/498676218.db2.gz CQANHBWKUDSMJM-UHFFFAOYSA-N -1 3 358.423 3.174 20 0 FGADHM COc1cccc2c(C(=O)Nc3nc(C4CCOCC4)cs3)n[n-]c21 ZINC000290777647 498676225 /nfs/dbraw/zinc/67/62/25/498676225.db2.gz CQANHBWKUDSMJM-UHFFFAOYSA-N -1 3 358.423 3.174 20 0 FGADHM CCOc1cc(C(=O)[N-]c2nc(CN3CCC[C@H](C)C3)cs2)on1 ZINC000294394670 498681142 /nfs/dbraw/zinc/68/11/42/498681142.db2.gz DKOWDPCJHQDGCV-NSHDSACASA-N -1 3 350.444 3.014 20 0 FGADHM Cc1cc(N2CCC(NC(=O)c3ccc(C(C)C)cc3[O-])CC2)nc(C)n1 ZINC000332528582 498713755 /nfs/dbraw/zinc/71/37/55/498713755.db2.gz GCYHWNKRSVIAAI-UHFFFAOYSA-N -1 3 368.481 3.321 20 0 FGADHM CC[C@H]1CC[C@H](C(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)CC1 ZINC000332556457 498725086 /nfs/dbraw/zinc/72/50/86/498725086.db2.gz TVSDVMBUQQKABG-WKILWMFISA-N -1 3 358.482 3.329 20 0 FGADHM O=C([O-])c1cnc(NC[C@@H]2CCCN(Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000312639335 498761838 /nfs/dbraw/zinc/76/18/38/498761838.db2.gz JLHKZWWJVJQXCX-HNNXBMFYSA-N -1 3 370.409 3.012 20 0 FGADHM O=C(Nc1ccc(NC([O-])=NOCc2ccccc2)cc1)[C@@H]1CCCO1 ZINC000298488328 498788583 /nfs/dbraw/zinc/78/85/83/498788583.db2.gz PNNVYKGFMZSIBA-KRWDZBQOSA-N -1 3 355.394 3.057 20 0 FGADHM O=C([N-]OCc1ccccc1)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1 ZINC000298488328 498788593 /nfs/dbraw/zinc/78/85/93/498788593.db2.gz PNNVYKGFMZSIBA-KRWDZBQOSA-N -1 3 355.394 3.057 20 0 FGADHM CCc1cc(=O)[n-]c(CN(C)[C@H](c2ccc(Cl)cc2)c2ncccn2)n1 ZINC000366135644 498792912 /nfs/dbraw/zinc/79/29/12/498792912.db2.gz OJKVLFHPFRIFPE-GOSISDBHSA-N -1 3 369.856 3.409 20 0 FGADHM Cc1nc(-c2ccc(NC(=O)NC[C@H]3CCO[C@H](C)C3)cc2)cc(=O)[n-]1 ZINC000332805803 498798721 /nfs/dbraw/zinc/79/87/21/498798721.db2.gz PAVNRHXGOCUDMF-OCCSQVGLSA-N -1 3 356.426 3.094 20 0 FGADHM CCc1cnc(N2CCN(C(=O)c3cc([O-])ccc3Cl)CC2)s1 ZINC000570112085 506092954 /nfs/dbraw/zinc/09/29/54/506092954.db2.gz IUNOSNMKTQTMIC-UHFFFAOYSA-N -1 3 351.859 3.027 20 0 FGADHM CC(C)(C(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1)c1ccc(F)cc1 ZINC000291143708 498813135 /nfs/dbraw/zinc/81/31/35/498813135.db2.gz PIFPSXHZRDFVOK-LBPRGKRZSA-N -1 3 374.378 3.020 20 0 FGADHM CCc1nnc(C2CCN(C(=O)c3cc([O-])c4ccccc4c3)CC2)[nH]1 ZINC000366278909 498856110 /nfs/dbraw/zinc/85/61/10/498856110.db2.gz XJEOIEAXHFGXCH-UHFFFAOYSA-N -1 3 350.422 3.246 20 0 FGADHM COc1cc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCO3)cc(OC)c1[O-] ZINC000363515435 498857208 /nfs/dbraw/zinc/85/72/08/498857208.db2.gz GULZBHBGKQAMFB-CQSZACIVSA-N -1 3 371.389 3.115 20 0 FGADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCOC[C@H]1[C@@H]1CCCO1 ZINC000333042682 498878867 /nfs/dbraw/zinc/87/88/67/498878867.db2.gz JTRYNAFADZCBAU-FPOVZHCZSA-N -1 3 367.445 3.003 20 0 FGADHM Cc1ccc(C(=O)C2CCN(C(=O)c3cc(F)cc4[n-]nnc43)CC2)cc1 ZINC000328658797 498892666 /nfs/dbraw/zinc/89/26/66/498892666.db2.gz RRFSCYYOZFOVCR-UHFFFAOYSA-N -1 3 366.396 3.141 20 0 FGADHM Cc1ccc(C(=O)C2CCN(C(=O)c3cc(F)cc4nn[n-]c43)CC2)cc1 ZINC000328658797 498892675 /nfs/dbraw/zinc/89/26/75/498892675.db2.gz RRFSCYYOZFOVCR-UHFFFAOYSA-N -1 3 366.396 3.141 20 0 FGADHM Cc1ccc(C(=O)C2CCN(C(=O)c3cc(F)cc4n[n-]nc43)CC2)cc1 ZINC000328658797 498892680 /nfs/dbraw/zinc/89/26/80/498892680.db2.gz RRFSCYYOZFOVCR-UHFFFAOYSA-N -1 3 366.396 3.141 20 0 FGADHM Cc1nsc([N-]C(=O)c2cc(Br)cnc2OCC2CC2)n1 ZINC000287964844 498913484 /nfs/dbraw/zinc/91/34/84/498913484.db2.gz IUGIBNBWSREHPN-UHFFFAOYSA-N -1 3 369.244 3.045 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N3CCCC[C@@H]3c3cc[nH]n3)c[n-]c12 ZINC000287972839 498915812 /nfs/dbraw/zinc/91/58/12/498915812.db2.gz YCWAJLFNVPTSGU-MRXNPFEDSA-N -1 3 354.385 3.478 20 0 FGADHM CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)[N-]OCc1cccnc1)O[C@@H](C)C2 ZINC000366432085 498924728 /nfs/dbraw/zinc/92/47/28/498924728.db2.gz APVCAPNAUVEWAP-OWQGQXMQSA-N -1 3 368.433 3.155 20 0 FGADHM CCOc1cc(CN2CCNC(=O)[C@H]2c2cccc(C)c2)cc(Cl)c1[O-] ZINC000582013179 506112682 /nfs/dbraw/zinc/11/26/82/506112682.db2.gz CTSAVEFSWVNLCF-GOSISDBHSA-N -1 3 374.868 3.426 20 0 FGADHM 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O=C(c1cc(=O)c2ccccc2[n-]1)N1CCC[C@@H]1COc1ccc(F)cc1 ZINC000367214465 499162968 /nfs/dbraw/zinc/16/29/68/499162968.db2.gz UQHQNUUYPFCRRJ-OAHLLOKOSA-N -1 3 366.392 3.351 20 0 FGADHM CC(C)c1nc2n(n1)CCC[C@H]2[N-]C(=O)C(F)(F)c1ccccc1F ZINC000367270562 499171366 /nfs/dbraw/zinc/17/13/66/499171366.db2.gz LRMZNQLDXXXRJC-CYBMUJFWSA-N -1 3 352.360 3.284 20 0 FGADHM CCCCOc1ccc(C(=O)N2CCC[C@@H](c3noc(C)n3)C2)c([O-])c1 ZINC000372773495 499173467 /nfs/dbraw/zinc/17/34/67/499173467.db2.gz TVVKIROWDQTVCM-CQSZACIVSA-N -1 3 359.426 3.282 20 0 FGADHM CCC1(CNC(=O)NC2CCN(C(=O)c3cccc([O-])c3)CC2)CCCC1 ZINC000372782577 499174932 /nfs/dbraw/zinc/17/49/32/499174932.db2.gz GCGYCNAZZJVATK-UHFFFAOYSA-N -1 3 373.497 3.266 20 0 FGADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@H]3CCC(=O)c4ccccc43)cc2)n1 ZINC000367352450 499186833 /nfs/dbraw/zinc/18/68/33/499186833.db2.gz CUFIIMAUXHVOSU-SFHVURJKSA-N -1 3 373.412 3.444 20 0 FGADHM COc1ccc([O-])c(C(=O)N2CCO[C@H](c3ccc(Cl)s3)C2)c1 ZINC000367444535 499199764 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CC(C)c1cc(C(=O)N2CCOC[C@H]2c2ncon2)c([O-])c(C(C)C)c1 ZINC000368033598 499257501 /nfs/dbraw/zinc/25/75/01/499257501.db2.gz GUWAXZHPWCFINF-INIZCTEOSA-N -1 3 359.426 3.236 20 0 FGADHM [O-]c1cc(F)cc(CN2CCOC[C@@H]2c2nnc(-c3cccs3)o2)c1 ZINC000368045336 499259197 /nfs/dbraw/zinc/25/91/97/499259197.db2.gz XXMGSEMRUBKJOW-CQSZACIVSA-N -1 3 361.398 3.216 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cnc(COC)s3)c2)n1 ZINC000368496970 499301930 /nfs/dbraw/zinc/30/19/30/499301930.db2.gz UFTZNMJUUYSBLN-UHFFFAOYSA-N -1 3 370.434 3.267 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N3CCC[C@H]3c3cccnc3)c[n-]c12 ZINC000368558502 499307189 /nfs/dbraw/zinc/30/71/89/499307189.db2.gz WICXIUNAKISJOO-KRWDZBQOSA-N -1 3 351.381 3.348 20 0 FGADHM Cc1cc(N2CCC(N(C)C(=O)c3cccc([O-])c3)CC2)nc(C(C)C)n1 ZINC000371571593 499343390 /nfs/dbraw/zinc/34/33/90/499343390.db2.gz PPHYAWIBNVBAES-UHFFFAOYSA-N -1 3 368.481 3.355 20 0 FGADHM CSc1ccc(C(=O)N(Cc2ccco2)C2CCN(C)CC2)c([O-])c1 ZINC000368953836 499350297 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/nfs/dbraw/zinc/06/78/59/500067859.db2.gz QSWQPOFKDCMHPK-VIFPVBQESA-N -1 3 370.696 3.053 20 0 FGADHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2Br)CS1 ZINC000416592528 500068532 /nfs/dbraw/zinc/06/85/32/500068532.db2.gz OYOMZCCPZRPXND-APPZFPTMSA-N -1 3 370.721 3.275 20 0 FGADHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Br)ccc2Cl)CS1 ZINC000416592470 500068746 /nfs/dbraw/zinc/06/87/46/500068746.db2.gz OSWAXKSKTYNCDX-VXNVDRBHSA-N -1 3 370.721 3.275 20 0 FGADHM CN(CC(=O)N1CCC(C(=O)[O-])CC1)CC1CCC(C(C)(C)C)CC1 ZINC000573330821 506174104 /nfs/dbraw/zinc/17/41/04/506174104.db2.gz AVHCZELGMQSVRX-UHFFFAOYSA-N -1 3 352.519 3.094 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)c3ccc(C(C)(C)C)cn3)[n-]c21 ZINC000421531445 500073612 /nfs/dbraw/zinc/07/36/12/500073612.db2.gz VTRRMZPQDPONFX-UHFFFAOYSA-N -1 3 352.394 3.294 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccc(C(C)(C)C)cn3)nc21 ZINC000421531445 500073617 /nfs/dbraw/zinc/07/36/17/500073617.db2.gz VTRRMZPQDPONFX-UHFFFAOYSA-N -1 3 352.394 3.294 20 0 FGADHM Cc1cc(-c2noc(-c3nn(-c4ccccc4)c(C)cc3=O)n2)ccc1[O-] ZINC000570473741 506174558 /nfs/dbraw/zinc/17/45/58/506174558.db2.gz GLRDAPGTWRIOIN-UHFFFAOYSA-N -1 3 360.373 3.272 20 0 FGADHM CC(C)COc1ccccc1CNC[C@@H](Oc1ccc(F)cc1)C(=O)[O-] ZINC000417556373 500107769 /nfs/dbraw/zinc/10/77/69/500107769.db2.gz GTNLYGARUQACFI-LJQANCHMSA-N -1 3 361.413 3.482 20 0 FGADHM CC(C)COc1ccccc1CNC[C@H](Oc1ccc(F)cc1)C(=O)[O-] ZINC000417556372 500107777 /nfs/dbraw/zinc/10/77/77/500107777.db2.gz GTNLYGARUQACFI-IBGZPJMESA-N -1 3 361.413 3.482 20 0 FGADHM Cc1cc(C)cc(C[C@@H](NCc2ccc(Br)cn2)C(=O)[O-])c1 ZINC000417563996 500110588 /nfs/dbraw/zinc/11/05/88/500110588.db2.gz FMZAYALLNWVRPF-MRXNPFEDSA-N -1 3 363.255 3.246 20 0 FGADHM Cc1nc2ccc(CN[C@]3(C(=O)[O-])CCOc4ccccc43)cc2s1 ZINC000417570424 500112878 /nfs/dbraw/zinc/11/28/78/500112878.db2.gz ROJYIIBOOSKUEN-LJQANCHMSA-N -1 3 354.431 3.457 20 0 FGADHM COC(=O)c1cc(CN[C@@H](CC(=O)[O-])c2ccc(C(C)C)cc2)cn1C ZINC000417571639 500112952 /nfs/dbraw/zinc/11/29/52/500112952.db2.gz OKUKAUFPXLCZRF-KRWDZBQOSA-N -1 3 358.438 3.241 20 0 FGADHM Cc1sccc1C(=O)N=c1[n-]n(CC(F)(F)F)cc1Br ZINC000421678893 500113847 /nfs/dbraw/zinc/11/38/47/500113847.db2.gz FHSLJHAVLFDPKC-UHFFFAOYSA-N -1 3 368.178 3.252 20 0 FGADHM Cc1csc(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Br)c1 ZINC000421679570 500114831 /nfs/dbraw/zinc/11/48/31/500114831.db2.gz LWBNKZIXCKZUNM-UHFFFAOYSA-N -1 3 368.178 3.252 20 0 FGADHM C[C@@H]1CCC[C@H](C(=O)N=c2[n-]n(CC(F)(F)F)cc2Br)C1 ZINC000421684728 500116245 /nfs/dbraw/zinc/11/62/45/500116245.db2.gz ZAYVKUBSHNAOIA-BDAKNGLRSA-N -1 3 368.197 3.395 20 0 FGADHM C[C@H]1CCC[C@@H](C(=O)N=c2[n-]n(CC(F)(F)F)cc2Br)C1 ZINC000421684730 500116279 /nfs/dbraw/zinc/11/62/79/500116279.db2.gz ZAYVKUBSHNAOIA-DTWKUNHWSA-N -1 3 368.197 3.395 20 0 FGADHM COc1ccc([C@@H](CCC(=O)[O-])NCc2cnc(C(C)(C)C)nc2)cc1 ZINC000417584700 500117451 /nfs/dbraw/zinc/11/74/51/500117451.db2.gz YFWBJDPFRTYZEO-QGZVFWFLSA-N -1 3 357.454 3.478 20 0 FGADHM CCCSC[C@H](NCc1cccc(F)c1Br)C(=O)[O-] ZINC000417587202 500118509 /nfs/dbraw/zinc/11/85/09/500118509.db2.gz SGJLDNCENZBUCH-NSHDSACASA-N -1 3 350.253 3.274 20 0 FGADHM COc1cccc([C@@H](CC(=O)[O-])NCc2ccc(OC)c(OC)c2C)c1 ZINC000417593305 500120478 /nfs/dbraw/zinc/12/04/78/500120478.db2.gz ZHHIAMVXSUEUAH-QGZVFWFLSA-N -1 3 359.422 3.326 20 0 FGADHM O=C([O-])[C@@H]1C=C[C@H](NCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000417611075 500124076 /nfs/dbraw/zinc/12/40/76/500124076.db2.gz AHRAKTHBIWYDQE-OLZOCXBDSA-N -1 3 351.328 3.010 20 0 FGADHM O=C([O-])[C@@H](NCc1cc(C(F)(F)F)ccc1Br)C1CC1 ZINC000417612692 500125341 /nfs/dbraw/zinc/12/53/41/500125341.db2.gz XUYIVOKYWZNQJQ-NSHDSACASA-N -1 3 352.150 3.421 20 0 FGADHM O=C([O-])[C@H]1C=C[C@@H](NCc2cnn(-c3ccc(C(F)(F)F)cc3)c2)C1 ZINC000417629305 500130158 /nfs/dbraw/zinc/13/01/58/500130158.db2.gz WWYKFHINAQCZSI-GXTWGEPZSA-N -1 3 351.328 3.010 20 0 FGADHM Cc1cnn(C)c1CN[C@H](CSCc1cccc2ccccc21)C(=O)[O-] ZINC000417633255 500131194 /nfs/dbraw/zinc/13/11/94/500131194.db2.gz ZNVBQFBJSMYVGP-GOSISDBHSA-N -1 3 369.490 3.358 20 0 FGADHM Cc1cnn(C)c1CN[C@@H](CSCc1cccc2ccccc21)C(=O)[O-] ZINC000417633256 500131417 /nfs/dbraw/zinc/13/14/17/500131417.db2.gz ZNVBQFBJSMYVGP-SFHVURJKSA-N -1 3 369.490 3.358 20 0 FGADHM CO[C@@H](CNCc1ccc(-c2ccc(Br)cc2)o1)CC(=O)[O-] ZINC000417639443 500133367 /nfs/dbraw/zinc/13/33/67/500133367.db2.gz SHHIENJYWUXCCO-CQSZACIVSA-N -1 3 368.227 3.288 20 0 FGADHM O=S(=O)([N-][C@H](CO)c1cccc(F)c1)c1ccc(Cl)cc1Cl ZINC000429812285 500148949 /nfs/dbraw/zinc/14/89/49/500148949.db2.gz GOURKDWOTDGGCV-CYBMUJFWSA-N -1 3 364.225 3.144 20 0 FGADHM O=S(=O)([N-]CCc1c[nH]c2ncccc12)c1ccc(Cl)cc1Cl ZINC000429822245 500150593 /nfs/dbraw/zinc/15/05/93/500150593.db2.gz BCNHKHRGYYUWNA-UHFFFAOYSA-N -1 3 370.261 3.391 20 0 FGADHM O=S(=O)([N-][C@@H](CO)c1ccc(F)cc1)c1ccc(Cl)cc1Cl ZINC000429820777 500150623 /nfs/dbraw/zinc/15/06/23/500150623.db2.gz YOHJNRBFVVDYDG-ZDUSSCGKSA-N -1 3 364.225 3.144 20 0 FGADHM O=c1[n-]c(SCCOCC2CCC2)nc2c1cnn2-c1ccccc1 ZINC000416901003 500150903 /nfs/dbraw/zinc/15/09/03/500150903.db2.gz XYTQOINRJYYAGC-UHFFFAOYSA-N -1 3 356.451 3.430 20 0 FGADHM CCC(CC)(CCO)C[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000429838323 500153231 /nfs/dbraw/zinc/15/32/31/500153231.db2.gz OKXMGKDXLFOHNV-UHFFFAOYSA-N -1 3 354.299 3.461 20 0 FGADHM O=S(=O)([N-]CCn1cnc2ccccc21)c1ccc(Cl)cc1Cl ZINC000429858226 500157247 /nfs/dbraw/zinc/15/72/47/500157247.db2.gz FDIKXNJLZGACEE-UHFFFAOYSA-N -1 3 370.261 3.322 20 0 FGADHM CCCn1c(=O)[n-]nc1SCc1ccc(OC)cc1Br ZINC000421828259 500161221 /nfs/dbraw/zinc/16/12/21/500161221.db2.gz BWMXLFAIDWLLMX-UHFFFAOYSA-N -1 3 358.261 3.457 20 0 FGADHM CCOc1ccc(F)c([N-]S(=O)(=O)c2cn3c(n2)CCC[C@@H]3C)c1F ZINC000416966440 500168613 /nfs/dbraw/zinc/16/86/13/500168613.db2.gz YHWYWZRMODFEQO-JTQLQIEISA-N -1 3 371.409 3.258 20 0 FGADHM C[C@@H]1CCCC[C@@H]1NC(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000429972447 500175488 /nfs/dbraw/zinc/17/54/88/500175488.db2.gz GVTGFKJOQIGDHV-MFKMUULPSA-N -1 3 351.248 3.219 20 0 FGADHM CCOc1cc(CN[C@@H](CO)c2ccccc2OC)cc(Cl)c1[O-] ZINC000570495520 506180809 /nfs/dbraw/zinc/18/08/09/506180809.db2.gz PAPMTKDIMRKMHZ-HNNXBMFYSA-N -1 3 351.830 3.276 20 0 FGADHM C[C@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)C(=O)[N-]c1cnns1 ZINC000430035659 500183823 /nfs/dbraw/zinc/18/38/23/500183823.db2.gz CISPQAQWNCNTAJ-CYBMUJFWSA-N -1 3 366.446 3.363 20 0 FGADHM CC[C@@H](C)[C@H](NC(=O)C(=O)[N-]c1cnns1)c1ccc(Cl)cc1 ZINC000430040663 500184471 /nfs/dbraw/zinc/18/44/71/500184471.db2.gz RHALFKLUWFDPLZ-RNCFNFMXSA-N -1 3 352.847 3.034 20 0 FGADHM O=C(Cc1cccc(Cl)c1)N=c1cc2ccc(Br)cn2[n-]1 ZINC000430092609 500191440 /nfs/dbraw/zinc/19/14/40/500191440.db2.gz BAFRLRWBZMZMTL-UHFFFAOYSA-N -1 3 364.630 3.353 20 0 FGADHM COC(=O)c1cc(C(=O)N2C[C@@H](C(C)C)Cc3cc(OC)ccc32)c[n-]1 ZINC000422032625 500202635 /nfs/dbraw/zinc/20/26/35/500202635.db2.gz GCHAOALLTQNASI-HNNXBMFYSA-N -1 3 356.422 3.285 20 0 FGADHM COC(=O)[C@@H](CNC(=O)[C@H](C)CC(C)(C)C)Cc1ccc([O-])c(F)c1 ZINC000422038807 500203421 /nfs/dbraw/zinc/20/34/21/500203421.db2.gz LYLNROAQAMHEKO-TZMCWYRMSA-N -1 3 353.434 3.052 20 0 FGADHM CCOc1nc2cc(C(=O)N(C)Cc3ccccc3N(C)C)ccc2[n-]1 ZINC000425986339 500221379 /nfs/dbraw/zinc/22/13/79/500221379.db2.gz VROOENOCLAUMMT-UHFFFAOYSA-N -1 3 352.438 3.300 20 0 FGADHM CCOc1nc2ccc(C(=O)N(C)Cc3ccccc3N(C)C)cc2[n-]1 ZINC000425986339 500221380 /nfs/dbraw/zinc/22/13/80/500221380.db2.gz VROOENOCLAUMMT-UHFFFAOYSA-N -1 3 352.438 3.300 20 0 FGADHM COc1ccc([O-])c(C(=O)NC[C@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)c1 ZINC000430475809 500244571 /nfs/dbraw/zinc/24/45/71/500244571.db2.gz GVNVAUJBVOCFDL-PZJWPPBQSA-N -1 3 373.424 3.044 20 0 FGADHM CN(CCCC(=O)[O-])CC(=O)N(C)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000430649538 500265948 /nfs/dbraw/zinc/26/59/48/500265948.db2.gz AWIIKILAVYBCKE-OAQYLSRUSA-N -1 3 372.440 3.170 20 0 FGADHM CCSc1cccc(NC(=O)c2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)c1 ZINC000426381069 500267063 /nfs/dbraw/zinc/26/70/63/500267063.db2.gz VBNONUVEFOBFIF-LJQANCHMSA-N -1 3 369.446 3.106 20 0 FGADHM CCOc1c(F)cccc1C(=O)[N-]c1nnc(C2CCOCC2)s1 ZINC000582320937 506186690 /nfs/dbraw/zinc/18/66/90/506186690.db2.gz WDPLEBNWBSPCIV-UHFFFAOYSA-N -1 3 351.403 3.222 20 0 FGADHM COc1cc(CN2C[C@H](C(=O)[O-])CC[C@H]2C)ccc1OCC(F)(F)F ZINC000422630304 500283544 /nfs/dbraw/zinc/28/35/44/500283544.db2.gz BEXUZVAEJRTZGV-DGCLKSJQSA-N -1 3 361.360 3.321 20 0 FGADHM O=C(NCc1ccc2c(c1)OCO2)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000426596392 500293104 /nfs/dbraw/zinc/29/31/04/500293104.db2.gz SYGRAQGFHRVXQP-UHFFFAOYSA-N -1 3 361.810 3.450 20 0 FGADHM COC(=O)c1cc(-c2nc(-c3cc(Br)cs3)no2)c[n-]1 ZINC000430873328 500299587 /nfs/dbraw/zinc/29/95/87/500299587.db2.gz RJXLZLXAIQGWIE-UHFFFAOYSA-N -1 3 354.185 3.342 20 0 FGADHM CC1(C)Cc2cccc(CNC[C@H](Oc3ccc(F)cc3)C(=O)[O-])c2O1 ZINC000426639225 500299317 /nfs/dbraw/zinc/29/93/17/500299317.db2.gz MEXMVBFPTBRPHN-KRWDZBQOSA-N -1 3 359.397 3.161 20 0 FGADHM CC(C)COc1ccc(CNC[C@@H](Oc2ccc(F)cc2)C(=O)[O-])cc1 ZINC000426647688 500300237 /nfs/dbraw/zinc/30/02/37/500300237.db2.gz OMWCCBJUMUJYHO-LJQANCHMSA-N -1 3 361.413 3.482 20 0 FGADHM CC(C)(CCCNCc1cc(Br)cc2c1OCC2)C(=O)[O-] ZINC000426648900 500300715 /nfs/dbraw/zinc/30/07/15/500300715.db2.gz UNTQIYKZJDLFFB-UHFFFAOYSA-N -1 3 356.260 3.365 20 0 FGADHM Cc1ccc(CN[C@H](Cc2ccc(O)cc2)C(=O)[O-])c(Br)c1 ZINC000426653806 500301740 /nfs/dbraw/zinc/30/17/40/500301740.db2.gz FXUQCAWAMMHBQG-MRXNPFEDSA-N -1 3 364.239 3.249 20 0 FGADHM CC(C)Cc1ncc(CNC[C@@H](Oc2ccc(F)cc2)C(=O)[O-])s1 ZINC000426665944 500303987 /nfs/dbraw/zinc/30/39/87/500303987.db2.gz ZCRSCJSKSXRDJJ-OAHLLOKOSA-N -1 3 352.431 3.103 20 0 FGADHM COc1cc(-c2ccccc2)ccc1CN[C@@H](Cn1cc(C)cn1)C(=O)[O-] ZINC000426720631 500310490 /nfs/dbraw/zinc/31/04/90/500310490.db2.gz OCJQOWGDCASEHR-IBGZPJMESA-N -1 3 365.433 3.110 20 0 FGADHM O=C([O-])[C@@H](CN1CCCc2ccccc21)NCc1ccc(Cl)s1 ZINC000426725806 500311416 /nfs/dbraw/zinc/31/14/16/500311416.db2.gz FDOZXDSDLCOTQT-CQSZACIVSA-N -1 3 350.871 3.397 20 0 FGADHM COc1cc(CN[C@H](C(=O)[O-])c2cc(C)cc(C)c2)cc(OC)c1OC ZINC000426752128 500315771 /nfs/dbraw/zinc/31/57/71/500315771.db2.gz ZYCYOAFZCHISND-SFHVURJKSA-N -1 3 359.422 3.245 20 0 FGADHM O=C([O-])[C@H](Cn1ccc(C(F)(F)F)n1)NCc1ccc2ccccc2c1 ZINC000426760541 500317126 /nfs/dbraw/zinc/31/71/26/500317126.db2.gz SBOFGUCCJHILQH-HNNXBMFYSA-N -1 3 363.339 3.298 20 0 FGADHM COc1cccc(CN[C@H](Cc2c(F)cccc2Cl)C(=O)[O-])c1OC ZINC000426764926 500317391 /nfs/dbraw/zinc/31/73/91/500317391.db2.gz YYWQRDGNAZSZKM-OAHLLOKOSA-N -1 3 367.804 3.282 20 0 FGADHM O=C([O-])[C@H](NCc1cccc(OCC(F)(F)F)c1)c1ccc(O)cc1 ZINC000426796360 500321521 /nfs/dbraw/zinc/32/15/21/500321521.db2.gz AJBAQYONTSPKKR-OAHLLOKOSA-N -1 3 355.312 3.249 20 0 FGADHM COc1cc(CN[C@@H](C(=O)[O-])c2cccs2)cc(Br)c1O ZINC000426807380 500323267 /nfs/dbraw/zinc/32/32/67/500323267.db2.gz NMLRLPVVVWSUGC-GFCCVEGCSA-N -1 3 372.240 3.140 20 0 FGADHM COc1ccc([C@H](NCc2cccc(OC(F)F)c2)C(=O)[O-])cc1F ZINC000426829865 500326769 /nfs/dbraw/zinc/32/67/69/500326769.db2.gz SIGXWFKNSJDYDI-HNNXBMFYSA-N -1 3 355.312 3.351 20 0 FGADHM CC(C)Sc1ccc([C@@H](C)NC(=O)CNC(=O)c2cccc([O-])c2)cc1 ZINC000427070790 500350635 /nfs/dbraw/zinc/35/06/35/500350635.db2.gz YLHQNRTUADFJPB-CQSZACIVSA-N -1 3 372.490 3.500 20 0 FGADHM COC(=O)c1csc(S(=O)(=O)[N-][C@H]2CC(C)(C)c3ccccc32)c1 ZINC000431294197 500360101 /nfs/dbraw/zinc/36/01/01/500360101.db2.gz FDZVGALPKPXXJG-AWEZNQCLSA-N -1 3 365.476 3.236 20 0 FGADHM COc1ccc([O-])c(C(=O)N(CCc2ccccn2)Cc2cccnc2)c1 ZINC000431293899 500360135 /nfs/dbraw/zinc/36/01/35/500360135.db2.gz LIKQZJZEJYQAMZ-UHFFFAOYSA-N -1 3 363.417 3.076 20 0 FGADHM C[C@H](CC(=O)NCc1nnc(C(F)(F)F)[n-]1)c1c[nH]c2ccccc12 ZINC000427197140 500365610 /nfs/dbraw/zinc/36/56/10/500365610.db2.gz JPPHTTDJDWFFIR-SECBINFHSA-N -1 3 351.332 3.115 20 0 FGADHM C[C@H](CC(=O)NCc1n[n-]c(C(F)(F)F)n1)c1c[nH]c2ccccc12 ZINC000427197140 500365612 /nfs/dbraw/zinc/36/56/12/500365612.db2.gz JPPHTTDJDWFFIR-SECBINFHSA-N -1 3 351.332 3.115 20 0 FGADHM C[C@H](CC(=O)NCc1nc(C(F)(F)F)n[n-]1)c1c[nH]c2ccccc12 ZINC000427197140 500365613 /nfs/dbraw/zinc/36/56/13/500365613.db2.gz JPPHTTDJDWFFIR-SECBINFHSA-N -1 3 351.332 3.115 20 0 FGADHM C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)CNC(=O)c1cccc([O-])c1 ZINC000427249674 500373473 /nfs/dbraw/zinc/37/34/73/500373473.db2.gz NWXDGUFXQLDSED-KGLIPLIRSA-N -1 3 374.868 3.426 20 0 FGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)c1cccc2cc[nH]c21 ZINC000431443619 500378324 /nfs/dbraw/zinc/37/83/24/500378324.db2.gz GJMXHQDFQJTROX-UHFFFAOYSA-N -1 3 355.195 3.252 20 0 FGADHM C[C@H](SCc1cc(=O)[n-]c(C2CC2)n1)C(=O)N(C)Cc1ccccc1 ZINC000419586074 500381455 /nfs/dbraw/zinc/38/14/55/500381455.db2.gz LIERBPXPCMTZCO-ZDUSSCGKSA-N -1 3 357.479 3.340 20 0 FGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCc2ccc(F)c(F)c2C1 ZINC000427336416 500382677 /nfs/dbraw/zinc/38/26/77/500382677.db2.gz QSIGODBUWZKUAE-UHFFFAOYSA-N -1 3 361.392 3.265 20 0 FGADHM COc1ccccc1[C@@H](C)NC(=O)CSCc1cc(=O)[n-]c(C2CC2)n1 ZINC000419606434 500383714 /nfs/dbraw/zinc/38/37/14/500383714.db2.gz SFIXNXRBAVSVQL-GFCCVEGCSA-N -1 3 373.478 3.179 20 0 FGADHM C[C@@H]1CCCc2nc(S(=O)(=O)[N-]Cc3ccc(C(C)(F)F)cc3)cn21 ZINC000570545474 506192366 /nfs/dbraw/zinc/19/23/66/506192366.db2.gz PKRUJRIBUWRAFJ-GFCCVEGCSA-N -1 3 369.437 3.371 20 0 FGADHM CCc1noc2ncc(S(=O)(=O)[N-][C@@H](c3ccccc3)C(F)F)cc12 ZINC000431645724 500402461 /nfs/dbraw/zinc/40/24/61/500402461.db2.gz RPYLHHMBEFFTKA-AWEZNQCLSA-N -1 3 367.377 3.070 20 0 FGADHM O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2CN1Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000576592127 506194389 /nfs/dbraw/zinc/19/43/89/506194389.db2.gz VVIZRDBMQDELEC-IFIJOSMWSA-N -1 3 372.446 3.224 20 0 FGADHM O=C(c1cc(F)cc2[n-]nnc21)N1CCc2ccc(Br)cc21 ZINC000431773885 500422967 /nfs/dbraw/zinc/42/29/67/500422967.db2.gz XGCIEVQSGOWWFV-UHFFFAOYSA-N -1 3 361.174 3.062 20 0 FGADHM O=C(c1cc(F)cc2nn[n-]c21)N1CCc2ccc(Br)cc21 ZINC000431773885 500422968 /nfs/dbraw/zinc/42/29/68/500422968.db2.gz XGCIEVQSGOWWFV-UHFFFAOYSA-N -1 3 361.174 3.062 20 0 FGADHM O=C(c1cc(F)cc2n[n-]nc21)N1CCc2ccc(Br)cc21 ZINC000431773885 500422970 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CCC(CC)(CNC(=O)NC[C@@H](c1ccccc1)N1CCCC1)C(=O)[O-] ZINC000424393657 500496429 /nfs/dbraw/zinc/49/64/29/500496429.db2.gz WVQQUNHBYKLFMM-KRWDZBQOSA-N -1 3 361.486 3.014 20 0 FGADHM COC(=O)c1cc(NC(=O)c2cccc([O-])c2)cc(Br)c1F ZINC000432355403 500503883 /nfs/dbraw/zinc/50/38/83/500503883.db2.gz DPWJDVIPEURQGF-UHFFFAOYSA-N -1 3 368.158 3.333 20 0 FGADHM COC[C@@H]([N-]S(=O)(=O)c1cccc(F)c1C)c1cccc(Cl)c1 ZINC000576617997 506199729 /nfs/dbraw/zinc/19/97/29/506199729.db2.gz RLVUUDRFRKDNEE-OAHLLOKOSA-N -1 3 357.834 3.454 20 0 FGADHM CCCc1ccc(-c2cc(=NC(=O)c3nccn4cc(C)nc34)[nH][n-]2)cc1 ZINC000432393245 500509556 /nfs/dbraw/zinc/50/95/56/500509556.db2.gz FFOWILYXKWTQGV-UHFFFAOYSA-N -1 3 360.421 3.055 20 0 FGADHM CC(=O)c1ccc(S(=O)(=O)[N-]c2cccc3c2OCC[C@H]3N(C)C)cc1 ZINC000432479483 500520886 /nfs/dbraw/zinc/52/08/86/500520886.db2.gz SEEZKRGTRRLGOK-GOSISDBHSA-N -1 3 374.462 3.075 20 0 FGADHM CC(C)C1CCC(N(C)C(=O)[C@H](C)[N-]S(=O)(=O)c2cccs2)CC1 ZINC000432545535 500530347 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COCCc1nnc(-c2cccc(-c3nc(-c4ccc([O-])cc4)no3)c2)o1 ZINC000436929775 500572323 /nfs/dbraw/zinc/57/23/23/500572323.db2.gz WAGIOXOBCYDEIA-UHFFFAOYSA-N -1 3 364.361 3.348 20 0 FGADHM Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2ccc([O-])c(C)c2)c(C)c1 ZINC000436940922 500574785 /nfs/dbraw/zinc/57/47/85/500574785.db2.gz YVJOYUMCSYOEHY-QGZVFWFLSA-N -1 3 370.474 3.471 20 0 FGADHM CCCCS(=O)(=O)Nc1ccc(NC(=O)c2ccc([O-])c(C)c2)cc1 ZINC000436938977 500575289 /nfs/dbraw/zinc/57/52/89/500575289.db2.gz XCECOZTUNHOOPD-UHFFFAOYSA-N -1 3 362.451 3.495 20 0 FGADHM C[C@@H]1CN(Cc2ccccc2CNC(=O)c2c([O-])cccc2F)C[C@@H](C)O1 ZINC000436947198 500576390 /nfs/dbraw/zinc/57/63/90/500576390.db2.gz UFDFZOPTLVAQAS-HUUCEWRRSA-N -1 3 372.440 3.071 20 0 FGADHM CC[C@@H](C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1)c1ccccc1 ZINC000436949773 500577390 /nfs/dbraw/zinc/57/73/90/500577390.db2.gz ZGUMGDFYKGHZEZ-GOSISDBHSA-N -1 3 366.461 3.307 20 0 FGADHM CCN(C(=O)C(=O)c1ccc([O-])cc1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000436956548 500578268 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CCSc1cccc(CN2CCN(C(=O)c3ccccc3[O-])CC2)c1 ZINC000436982770 500586375 /nfs/dbraw/zinc/58/63/75/500586375.db2.gz UXRJSBQAJVEGRV-UHFFFAOYSA-N -1 3 356.491 3.462 20 0 FGADHM CCCCOc1ccc(C(=O)N[C@@H](C)C(=O)N2CCCC[C@@H]2C)c([O-])c1 ZINC000436985151 500586978 /nfs/dbraw/zinc/58/69/78/500586978.db2.gz CRLNVNHJHDOEJS-GJZGRUSLSA-N -1 3 362.470 3.090 20 0 FGADHM O=C(N[C@H](Cc1nnc[nH]1)c1ccccc1)c1ccc2ccccc2c1[O-] ZINC000436992105 500589173 /nfs/dbraw/zinc/58/91/73/500589173.db2.gz UJGUPJDZPXJFCT-GOSISDBHSA-N -1 3 358.401 3.377 20 0 FGADHM O=C(N[C@H](Cc1nc[nH]n1)c1ccccc1)c1ccc2ccccc2c1[O-] ZINC000436992105 500589176 /nfs/dbraw/zinc/58/91/76/500589176.db2.gz UJGUPJDZPXJFCT-GOSISDBHSA-N -1 3 358.401 3.377 20 0 FGADHM Fc1cccc(Cc2noc(CSc3n[n-]c(-c4ccccn4)n3)n2)c1 ZINC000447309506 500589289 /nfs/dbraw/zinc/58/92/89/500589289.db2.gz OIBXHHXIRRVKCZ-UHFFFAOYSA-N -1 3 368.397 3.272 20 0 FGADHM O=S(=O)([N-][C@H](c1cc(F)ccc1F)C(F)F)c1c[nH]c2ncccc12 ZINC000432962754 500598430 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/nfs/dbraw/zinc/95/50/18/500955018.db2.gz JPOLNWQFNHGHPU-PSASIEDQSA-N -1 3 355.225 3.390 20 0 FGADHM CCOc1ccc(NC(=O)Cc2noc(-c3cccc(OC)c3[O-])n2)cc1 ZINC000445350015 500976539 /nfs/dbraw/zinc/97/65/39/500976539.db2.gz QBIMSXDPQBKSGX-UHFFFAOYSA-N -1 3 369.377 3.031 20 0 FGADHM O=C(CC1(O)CCCC1)N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1 ZINC000440134260 500979303 /nfs/dbraw/zinc/97/93/03/500979303.db2.gz LXTGGFHXMVJZJX-UHFFFAOYSA-N -1 3 354.237 3.439 20 0 FGADHM CC(C)N1CCC[C@H]([N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)C1 ZINC000435446067 500979594 /nfs/dbraw/zinc/97/95/94/500979594.db2.gz JDDNPLPZFPVPLG-JTQLQIEISA-N -1 3 369.289 3.284 20 0 FGADHM CCOc1cc(-c2noc(CCOc3ccccc3OC)n2)ccc1[O-] ZINC000445420227 500983504 /nfs/dbraw/zinc/98/35/04/500983504.db2.gz UQUPTTMXPZIBCR-UHFFFAOYSA-N -1 3 356.378 3.471 20 0 FGADHM CCOc1cc(-c2noc(-c3ccc(N4CCOCC4)cc3)n2)ccc1[O-] ZINC000445431410 500984868 /nfs/dbraw/zinc/98/48/68/500984868.db2.gz NZGQUCCWMGYKBU-UHFFFAOYSA-N -1 3 367.405 3.345 20 0 FGADHM Cc1ccc(C(=O)NCCc2nc(C(C)(C)c3ccccc3)no2)c([O-])c1 ZINC000445471035 500991516 /nfs/dbraw/zinc/99/15/16/500991516.db2.gz MIITVPCHPFSENQ-UHFFFAOYSA-N -1 3 365.433 3.382 20 0 FGADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1csc(-c2cccc(Cl)c2)n1 ZINC000440378669 501001438 /nfs/dbraw/zinc/00/14/38/501001438.db2.gz VULCAIZADMHHRS-UHFFFAOYSA-N -1 3 362.798 3.225 20 0 FGADHM COc1ccc([C@H]([N-]S(=O)(=O)c2ccco2)c2ccccc2OC)cc1 ZINC000445714635 501023142 /nfs/dbraw/zinc/02/31/42/501023142.db2.gz ULYXCMSDIDXXDM-IBGZPJMESA-N -1 3 373.430 3.365 20 0 FGADHM Cc1ccc(S(=O)(=O)Cc2noc(/C=C/c3cccc([O-])c3)n2)cc1 ZINC000435961296 501051677 /nfs/dbraw/zinc/05/16/77/501051677.db2.gz RCUJIZMHJAGBCS-JXMROGBWSA-N -1 3 356.403 3.228 20 0 FGADHM CN(CC(=O)OC(C)(C)C)C(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000435984252 501053998 /nfs/dbraw/zinc/05/39/98/501053998.db2.gz TWXDSXYHBMATKM-UHFFFAOYSA-N -1 3 369.417 3.037 20 0 FGADHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1CCCCC[C@H]1CC ZINC000440897299 501061086 /nfs/dbraw/zinc/06/10/86/501061086.db2.gz APTMNIKMAUCSAH-CYBMUJFWSA-N -1 3 366.483 3.353 20 0 FGADHM CCOC(=O)c1c(C2CC2)csc1[N-]C(=O)c1noc2c1COCC2 ZINC000598931101 506232053 /nfs/dbraw/zinc/23/20/53/506232053.db2.gz LKJWXDHNNPDOII-UHFFFAOYSA-N -1 3 362.407 3.115 20 0 FGADHM COC(=O)c1sc2[n-]c(CN3CCCCC(C)(C)C3)nc(=O)c2c1C ZINC000446069288 501069007 /nfs/dbraw/zinc/06/90/07/501069007.db2.gz HRRYSDBKSUMHRC-UHFFFAOYSA-N -1 3 363.483 3.092 20 0 FGADHM Cc1ncc(CNC(=O)N[C@H]2CC(C)(C)CCc3ccccc32)c(=O)[n-]1 ZINC000441026855 501077188 /nfs/dbraw/zinc/07/71/88/501077188.db2.gz BWKOYCRDCIFMQD-KRWDZBQOSA-N -1 3 354.454 3.394 20 0 FGADHM Cc1cnc(N)c(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2Cl)c1 ZINC000436149459 501078941 /nfs/dbraw/zinc/07/89/41/501078941.db2.gz ATEDJDPQDDHRMU-UHFFFAOYSA-N -1 3 355.847 3.214 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)[C@H](c3cccnc3)C(C)C)[n-]c21 ZINC000436158638 501080600 /nfs/dbraw/zinc/08/06/00/501080600.db2.gz WWMADVZAUAOABE-HNNXBMFYSA-N -1 3 352.394 3.123 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@H](c3cccnc3)C(C)C)nc21 ZINC000436158638 501080601 /nfs/dbraw/zinc/08/06/01/501080601.db2.gz WWMADVZAUAOABE-HNNXBMFYSA-N -1 3 352.394 3.123 20 0 FGADHM CCOCc1nc(C)c(C(=O)N=c2cc(-c3ccccc3C)[n-][nH]2)s1 ZINC000449836929 501102437 /nfs/dbraw/zinc/10/24/37/501102437.db2.gz XATKLDGYSOTOMG-UHFFFAOYSA-N -1 3 356.451 3.361 20 0 FGADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)CCCC(=O)C2CC2)[nH][n-]1 ZINC000449841409 501104402 /nfs/dbraw/zinc/10/44/02/501104402.db2.gz VJMZKMQWESWQRZ-UHFFFAOYSA-N -1 3 361.829 3.249 20 0 FGADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)N[C@H]1C[C@H]1C1CCCCC1 ZINC000607707193 506234860 /nfs/dbraw/zinc/23/48/60/506234860.db2.gz WILBBRZZROFIJF-BBRMVZONSA-N -1 3 354.454 3.250 20 0 FGADHM CCOC(=O)c1ccc(NC(=O)[C@H](C)OCc2ccc(F)cc2)c([O-])c1 ZINC000449874963 501114506 /nfs/dbraw/zinc/11/45/06/501114506.db2.gz CPNQMIOXQYERQB-LBPRGKRZSA-N -1 3 361.369 3.252 20 0 FGADHM C[C@@H]1CN(Cc2cccc(NC(=O)Cc3ccc([O-])c(F)c3)c2)C[C@@H](C)O1 ZINC000449900673 501121453 /nfs/dbraw/zinc/12/14/53/501121453.db2.gz DYYQAZAWAMHPIC-HUUCEWRRSA-N -1 3 372.440 3.322 20 0 FGADHM C[C@@H]1CN(Cc2cccc(NC(=O)Cc3ccc([O-])c(F)c3)c2)C[C@H](C)O1 ZINC000449900670 501121528 /nfs/dbraw/zinc/12/15/28/501121528.db2.gz DYYQAZAWAMHPIC-GASCZTMLSA-N -1 3 372.440 3.322 20 0 FGADHM CCOc1nc2cc(C(=O)N3CCO[C@H](Cc4ccccc4)C3)ccc2[n-]1 ZINC000450439784 501121715 /nfs/dbraw/zinc/12/17/15/501121715.db2.gz XUXVNVNRZSJDJB-QGZVFWFLSA-N -1 3 365.433 3.045 20 0 FGADHM CCOc1nc2ccc(C(=O)N3CCO[C@H](Cc4ccccc4)C3)cc2[n-]1 ZINC000450439784 501121718 /nfs/dbraw/zinc/12/17/18/501121718.db2.gz XUXVNVNRZSJDJB-QGZVFWFLSA-N -1 3 365.433 3.045 20 0 FGADHM C[C@@H](CS(=O)(=O)[N-]c1cc(-c2nc[nH]n2)ccc1F)c1ccccc1 ZINC000436479648 501135136 /nfs/dbraw/zinc/13/51/36/501135136.db2.gz VHCNEPZMXXYCQL-LBPRGKRZSA-N -1 3 360.414 3.156 20 0 FGADHM COCCN(CCCOc1ccc(F)cc1)C(=O)c1cc(C)ccc1[O-] ZINC000436490748 501137983 /nfs/dbraw/zinc/13/79/83/501137983.db2.gz OXXSFEVPXPIZJB-UHFFFAOYSA-N -1 3 361.413 3.397 20 0 FGADHM COc1cccc(Cc2nnc(NC(=O)c3ccc(C)cc3[O-])s2)c1 ZINC000436493250 501138723 /nfs/dbraw/zinc/13/87/23/501138723.db2.gz XLZCMVTZLNWSTH-UHFFFAOYSA-N -1 3 355.419 3.404 20 0 FGADHM COc1ccc(-c2nc([N-]C(=O)c3cccc(F)c3F)n[nH]2)cc1OC ZINC000588213965 506237966 /nfs/dbraw/zinc/23/79/66/506237966.db2.gz IJOQALBRHMVPND-UHFFFAOYSA-N -1 3 360.320 3.019 20 0 FGADHM O=C(N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1)[C@H]1OCCc2ccccc21 ZINC000441452590 501141980 /nfs/dbraw/zinc/14/19/80/501141980.db2.gz BBUGEULAJGMRJE-SFHVURJKSA-N -1 3 355.344 3.029 20 0 FGADHM COc1ccc(N(C)C(=O)c2cc(OC)c([O-])c(OC)c2)cc1Cl ZINC000436522597 501147300 /nfs/dbraw/zinc/14/73/00/501147300.db2.gz NAKJYNOQRLDULB-UHFFFAOYSA-N -1 3 351.786 3.348 20 0 FGADHM CC(C)c1ccc(C(=O)NC[C@@H]2CC(=O)N(Cc3ccccc3)C2)c([O-])c1 ZINC000436524749 501148163 /nfs/dbraw/zinc/14/81/63/501148163.db2.gz KOHORWLBAAIZJP-KRWDZBQOSA-N -1 3 366.461 3.294 20 0 FGADHM CCOC(=O)CCc1ccc(NC(=O)c2cc(C)cc(OC)c2[O-])cc1 ZINC000436534434 501149956 /nfs/dbraw/zinc/14/99/56/501149956.db2.gz HZZAZPGASFOMGV-UHFFFAOYSA-N -1 3 357.406 3.457 20 0 FGADHM CCc1ccc([C@H]2COCCN2C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)o1 ZINC000436537297 501150970 /nfs/dbraw/zinc/15/09/70/501150970.db2.gz OXDLZCXRKNETBU-MRXNPFEDSA-N -1 3 371.433 3.475 20 0 FGADHM CC[C@@H](C(=O)N1CCC(NC(=O)c2ccccc2[O-])CC1)c1ccccc1 ZINC000436540660 501151741 /nfs/dbraw/zinc/15/17/41/501151741.db2.gz SSWPZUUBIWJKRM-GOSISDBHSA-N -1 3 366.461 3.307 20 0 FGADHM CCCc1ccc(-c2cc(=NC(=O)CCC(=O)N(CC)CC)[nH][n-]2)cc1 ZINC000446686631 501152240 /nfs/dbraw/zinc/15/22/40/501152240.db2.gz CFJFKERXDFIBQL-UHFFFAOYSA-N -1 3 356.470 3.038 20 0 FGADHM CC(C)(C)C(=O)Cn1cc(C(=O)[N-]c2cc(Cl)cc(F)c2F)nn1 ZINC000441561783 501154797 /nfs/dbraw/zinc/15/47/97/501154797.db2.gz ACMRMLFVZOKVSF-UHFFFAOYSA-N -1 3 356.760 3.077 20 0 FGADHM COC(=O)CCCOc1ccc(NC(=O)c2cc(C)cc(OC)c2[O-])cc1 ZINC000436556596 501155774 /nfs/dbraw/zinc/15/57/74/501155774.db2.gz SGOUYXZIEXUEHE-UHFFFAOYSA-N -1 3 373.405 3.294 20 0 FGADHM Cc1ccc(C(=O)N(C)[C@@H]2CCCN(c3ccccc3)C2=O)c([O-])c1C ZINC000436556263 501155818 /nfs/dbraw/zinc/15/58/18/501155818.db2.gz RNGSPRMZMIZZSL-GOSISDBHSA-N -1 3 352.434 3.277 20 0 FGADHM CCOc1cccc(N2CCN(C(=O)c3ccc(C(C)C)cc3[O-])CC2)n1 ZINC000436557059 501155895 /nfs/dbraw/zinc/15/58/95/501155895.db2.gz VAWUASPRCCQFBT-UHFFFAOYSA-N -1 3 369.465 3.272 20 0 FGADHM CCOCCCNC(=O)c1cccc(NC(=O)c2ccc(C)c(C)c2[O-])c1 ZINC000436557564 501155913 /nfs/dbraw/zinc/15/59/13/501155913.db2.gz RTDAZPWQGBRPDT-UHFFFAOYSA-N -1 3 370.449 3.418 20 0 FGADHM COc1cc(C)cc(C(=O)Nc2cccc([C@H](C)N3CCOCC3)c2)c1[O-] ZINC000436560570 501157224 /nfs/dbraw/zinc/15/72/24/501157224.db2.gz DQVWGIFHHSMEDO-HNNXBMFYSA-N -1 3 370.449 3.355 20 0 FGADHM O=C(c1cc2c(cc1[O-])CCCC2)N(C[C@H]1CCCO1)[C@@H]1CCSC1 ZINC000436563861 501158132 /nfs/dbraw/zinc/15/81/32/501158132.db2.gz FMHKLTPULBSBQG-IAGOWNOFSA-N -1 3 361.507 3.398 20 0 FGADHM CN1CCN(C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)c2ccc(F)cc21 ZINC000436576720 501161439 /nfs/dbraw/zinc/16/14/39/501161439.db2.gz RISPYNVYRUMFHE-UHFFFAOYSA-N -1 3 356.397 3.341 20 0 FGADHM NC(=O)Cc1ccc(NC(=O)c2cc(CCc3ccccc3)ccc2[O-])cc1 ZINC000436585121 501162805 /nfs/dbraw/zinc/16/28/05/501162805.db2.gz RIXAZZHAYILYDX-UHFFFAOYSA-N -1 3 374.440 3.458 20 0 FGADHM COc1cc(OC)cc(N2CCCN(C(=O)c3ccc(C)cc3[O-])CC2)c1 ZINC000436586846 501163801 /nfs/dbraw/zinc/16/38/01/501163801.db2.gz NNNSLDUREMEGJH-UHFFFAOYSA-N -1 3 370.449 3.070 20 0 FGADHM CCNC(=O)N1CCc2ccc(NC(=O)c3cc(CC)ccc3[O-])cc21 ZINC000436589711 501164700 /nfs/dbraw/zinc/16/47/00/501164700.db2.gz LCQLPUWJPJCTEQ-UHFFFAOYSA-N -1 3 353.422 3.299 20 0 FGADHM Cn1cc(-c2csc(NC(=O)c3ccc4c(c3[O-])OC(C)(C)C4)n2)cn1 ZINC000436592303 501165170 /nfs/dbraw/zinc/16/51/70/501165170.db2.gz TUUZGLVAPPKLEL-UHFFFAOYSA-N -1 3 370.434 3.215 20 0 FGADHM Cc1c(NC(=O)c2cc3c(cc2[O-])CCCC3)cccc1N1CN=NC1=O ZINC000436594397 501165985 /nfs/dbraw/zinc/16/59/85/501165985.db2.gz GWWUESOXNHGQEU-UHFFFAOYSA-N -1 3 364.405 3.118 20 0 FGADHM COc1cccc(C(=O)NCCCOc2ccc(C(F)(F)F)cn2)c1[O-] ZINC000436597961 501166663 /nfs/dbraw/zinc/16/66/63/501166663.db2.gz XRXPERLHKQLMHQ-UHFFFAOYSA-N -1 3 370.327 3.014 20 0 FGADHM COC(=O)C[C@@H]1CCCN1C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436601486 501167758 /nfs/dbraw/zinc/16/77/58/501167758.db2.gz ICFWOOCNDMNLCP-SFHVURJKSA-N -1 3 367.445 3.345 20 0 FGADHM O=C(NCCCCC1CCCC1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436619068 501171171 /nfs/dbraw/zinc/17/11/71/501171171.db2.gz NWKVYUIRLXETBY-SFHVURJKSA-N -1 3 358.482 3.474 20 0 FGADHM CCc1nnc(CNC(=O)c2cc(Cc3ccccc3)ccc2[O-])s1 ZINC000436621972 501171589 /nfs/dbraw/zinc/17/15/89/501171589.db2.gz YPEXSFXAWMSVSX-UHFFFAOYSA-N -1 3 353.447 3.327 20 0 FGADHM CC[C@@H]1CN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C[C@H](C)[S@]1=O ZINC000436621330 501172189 /nfs/dbraw/zinc/17/21/89/501172189.db2.gz BFMKRCIEQVIDGA-FMISHOMQSA-N -1 3 371.502 3.355 20 0 FGADHM O=C(NCC1(N2CCSCC2)CCCC1)c1ccc(Cl)cc1[O-] ZINC000436629387 501173490 /nfs/dbraw/zinc/17/34/90/501173490.db2.gz JCDXZSWMPJAMOH-UHFFFAOYSA-N -1 3 354.903 3.137 20 0 FGADHM CCOc1cccc(CNC(=O)c2c([O-])cccc2O)c1OC(F)F ZINC000436646179 501177899 /nfs/dbraw/zinc/17/78/99/501177899.db2.gz GOTIIDAZDZCODO-UHFFFAOYSA-N -1 3 353.321 3.028 20 0 FGADHM C[C@H](Cc1ccccc1Br)NC(=O)c1c([O-])cccc1O ZINC000436647888 501178277 /nfs/dbraw/zinc/17/82/77/501178277.db2.gz NLWQKXXUEFQSJC-SNVBAGLBSA-N -1 3 350.212 3.221 20 0 FGADHM CCOC(=O)c1ccsc1[N-]C(=O)C(=O)N1CCC[C@@H](C(C)C)CC1 ZINC000441886794 501180788 /nfs/dbraw/zinc/18/07/88/501180788.db2.gz RSDAAVMQEBTGBV-CYBMUJFWSA-N -1 3 366.483 3.148 20 0 FGADHM CC[C@@](C)(O)CN(Cc1ccccc1)C(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000436670991 501184391 /nfs/dbraw/zinc/18/43/91/501184391.db2.gz IKYAFCKPTXRFMZ-OAQYLSRUSA-N -1 3 355.434 3.398 20 0 FGADHM Cc1ccc(CNC(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])s1 ZINC000436672601 501185369 /nfs/dbraw/zinc/18/53/69/501185369.db2.gz FKVZZJHHOAJISN-UHFFFAOYSA-N -1 3 371.418 3.241 20 0 FGADHM CC(=O)Nc1ccc(CCNC(=O)c2cc3c(cc2[O-])CCCC3)cc1 ZINC000436685533 501187562 /nfs/dbraw/zinc/18/75/62/501187562.db2.gz BLMAJKWVRSNEFS-UHFFFAOYSA-N -1 3 352.434 3.202 20 0 FGADHM CCOC(=O)[C@@](C)(CNC(=O)c1ccc([O-])c(CC)c1)c1ccccc1 ZINC000436706760 501193017 /nfs/dbraw/zinc/19/30/17/501193017.db2.gz NLFKZVDZXYLARB-NRFANRHFSA-N -1 3 355.434 3.205 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N[C@H](C)c2ccccc2Cl)c([O-])c1 ZINC000436708653 501193376 /nfs/dbraw/zinc/19/33/76/501193376.db2.gz SPLTZPWZCOTAFT-CYBMUJFWSA-N -1 3 360.841 3.351 20 0 FGADHM COc1cccc(C(=O)N[C@@H]2CC[C@@H](c3ccccc3)C[C@@H]2OC)c1[O-] ZINC000436712258 501193937 /nfs/dbraw/zinc/19/39/37/501193937.db2.gz FLJGYSVLTYSDHE-SUMDDJOVSA-N -1 3 355.434 3.482 20 0 FGADHM COc1ccc(C(=O)NC[C@H](C)Cc2ccc(OC)c(OC)c2)c([O-])c1 ZINC000436712409 501194571 /nfs/dbraw/zinc/19/45/71/501194571.db2.gz AOIUUVLKINRSQJ-CYBMUJFWSA-N -1 3 359.422 3.027 20 0 FGADHM COc1cccc(CN(C[C@@H]2CCCO2)C(=O)c2cccc(OC)c2[O-])c1 ZINC000436714468 501194600 /nfs/dbraw/zinc/19/46/00/501194600.db2.gz UJEIZZSRYAVMPO-KRWDZBQOSA-N -1 3 371.433 3.231 20 0 FGADHM COc1cc(C(=O)N[C@@H]2CC[C@@H](c3ccccc3)C[C@H]2OC)ccc1[O-] ZINC000436713207 501194623 /nfs/dbraw/zinc/19/46/23/501194623.db2.gz IOKHLZYHMKUUJO-SZVBFZGTSA-N -1 3 355.434 3.482 20 0 FGADHM Cc1ccc(C(=O)Nc2ccc(Oc3cccc(C(N)=O)c3)nc2)c([O-])c1 ZINC000436712506 501194901 /nfs/dbraw/zinc/19/49/01/501194901.db2.gz NXEHJQCMNMYOHT-UHFFFAOYSA-N -1 3 363.373 3.239 20 0 FGADHM CCOCc1nc(C)c(C(=O)[N-]c2nnc(CC(F)(F)F)s2)s1 ZINC000450152218 501195115 /nfs/dbraw/zinc/19/51/15/501195115.db2.gz LSTCAHGHLDZMHY-UHFFFAOYSA-N -1 3 366.390 3.197 20 0 FGADHM COc1ccc(-c2cc(C(=O)Nc3ccc(C)cc3[O-])n[nH]2)cc1OC ZINC000436729713 501198825 /nfs/dbraw/zinc/19/88/25/501198825.db2.gz BQUFIJBTUFARQX-UHFFFAOYSA-N -1 3 353.378 3.360 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C)c2nccn2-c2ccccc2)c1 ZINC000436732389 501199562 /nfs/dbraw/zinc/19/95/62/501199562.db2.gz DADHXZRAMHXRNB-ZDUSSCGKSA-N -1 3 364.405 3.027 20 0 FGADHM CCN(CC)CC(=O)Nc1cccc(NC(=O)c2cc(F)ccc2[O-])c1 ZINC000436735908 501200562 /nfs/dbraw/zinc/20/05/62/501200562.db2.gz FACZXSGIYFGDEO-UHFFFAOYSA-N -1 3 359.401 3.064 20 0 FGADHM CCN1CC[C@@H](NC(=O)c2ccccc2[O-])[C@H]1c1cc(F)c(F)c(F)c1 ZINC000436740747 501202442 /nfs/dbraw/zinc/20/24/42/501202442.db2.gz RGBZETCTUCIHIH-CRAIPNDOSA-N -1 3 364.367 3.375 20 0 FGADHM Cc1cccc(C(=O)Nc2ccc(NC(=O)NC[C@@H]3CCCO3)cc2)c1[O-] ZINC000436756892 501206078 /nfs/dbraw/zinc/20/60/78/501206078.db2.gz RKXKDVYCIJZNNY-INIZCTEOSA-N -1 3 369.421 3.253 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H]([C@@H](CO)C3CC3)C3CC3)nc2)n1 ZINC000450782617 501208307 /nfs/dbraw/zinc/20/83/07/501208307.db2.gz VKLKWGLNJWCJCH-LPHOPBHVSA-N -1 3 354.454 3.016 20 0 FGADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CCO[C@@H](Cc2ccccc2)C1 ZINC000436768226 501208460 /nfs/dbraw/zinc/20/84/60/501208460.db2.gz HYALICDGZIJFAJ-IBGZPJMESA-N -1 3 351.446 3.355 20 0 FGADHM COc1ccc(C(=O)N(Cc2ccccc2OC)C[C@H]2CCCO2)c([O-])c1 ZINC000436779916 501210153 /nfs/dbraw/zinc/21/01/53/501210153.db2.gz XVJQBVQKFUEOBT-QGZVFWFLSA-N -1 3 371.433 3.231 20 0 FGADHM CC1(C)Cc2ccc(C(=O)NCc3ccc(N4CCCC4)nc3)c([O-])c2O1 ZINC000436784889 501210901 /nfs/dbraw/zinc/21/09/01/501210901.db2.gz ZFAZDRFBUYISIZ-UHFFFAOYSA-N -1 3 367.449 3.031 20 0 FGADHM CN(C)CCOc1ccccc1CNC(=O)c1cc(F)cc(Cl)c1[O-] ZINC000436785053 501210926 /nfs/dbraw/zinc/21/09/26/501210926.db2.gz ZOQLHRYESBYEST-UHFFFAOYSA-N -1 3 366.820 3.055 20 0 FGADHM COC(=O)c1cc(NC(=O)c2cc(C)cc(OC)c2[O-])cc2[nH]ccc21 ZINC000436781593 501211047 /nfs/dbraw/zinc/21/10/47/501211047.db2.gz UTMLHDAHOOKSGP-UHFFFAOYSA-N -1 3 354.362 3.229 20 0 FGADHM C[C@@H](CCc1cccc(F)c1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436787430 501211579 /nfs/dbraw/zinc/21/15/79/501211579.db2.gz OGIBFARZABVPPO-INIZCTEOSA-N -1 3 356.441 3.310 20 0 FGADHM Cc1ccc(C(=O)N[C@@H](CO)c2ccc(Br)c(F)c2)c([O-])c1 ZINC000436788984 501211596 /nfs/dbraw/zinc/21/15/96/501211596.db2.gz AQIBETRDQZSDHN-AWEZNQCLSA-N -1 3 368.202 3.066 20 0 FGADHM COc1cc(-c2noc(-c3nc(C)n(-c4ccc(F)cc4)n3)n2)ccc1[O-] ZINC000436791181 501212423 /nfs/dbraw/zinc/21/24/23/501212423.db2.gz QSGHHGJLGLTBRD-UHFFFAOYSA-N -1 3 367.340 3.146 20 0 FGADHM O=C1[N-][C@@](c2ccccc2)(C(F)(F)F)C(=O)N1C[C@@H]1CCCC1(F)F ZINC000450816826 501213323 /nfs/dbraw/zinc/21/33/23/501213323.db2.gz BYRNUKQAWYMJMD-XHDPSFHLSA-N -1 3 362.298 3.431 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N(C)Cc2cccc(C)c2C)c([O-])c1 ZINC000436802171 501213388 /nfs/dbraw/zinc/21/33/88/501213388.db2.gz HCHFXJKVUCEYKZ-UHFFFAOYSA-N -1 3 354.450 3.096 20 0 FGADHM CCO[C@@H]1C[C@H](N(C)C(=O)c2cc(OC)c([O-])c(OC)c2)C1(CC)CC ZINC000436806989 501214197 /nfs/dbraw/zinc/21/41/97/501214197.db2.gz HCWWUWKDTHAFFS-DLBZAZTESA-N -1 3 365.470 3.465 20 0 FGADHM Cc1ccc(C(=O)Nc2ccnn2Cc2cnn(-c3ccccc3)c2)c([O-])c1 ZINC000436816710 501215792 /nfs/dbraw/zinc/21/57/92/501215792.db2.gz UQWMGUMUQGTEMP-UHFFFAOYSA-N -1 3 373.416 3.383 20 0 FGADHM COCCN(C(=O)c1cc(Cc2ccccc2)ccc1[O-])[C@H]1CCO[C@@H]1C ZINC000436823990 501216696 /nfs/dbraw/zinc/21/66/96/501216696.db2.gz YDOLQSAVPVZCTI-UZLBHIALSA-N -1 3 369.461 3.249 20 0 FGADHM CCc1ccc(C(=O)NC[C@@H]2CCN(c3cccc(OC)c3)C2)c([O-])c1 ZINC000436822509 501216934 /nfs/dbraw/zinc/21/69/34/501216934.db2.gz VDQPUWZPUDIDBY-INIZCTEOSA-N -1 3 354.450 3.220 20 0 FGADHM CCc1ccc(C(=O)Nc2ccc3ccn(CC(=O)N(C)C)c3c2)c([O-])c1 ZINC000436830443 501217888 /nfs/dbraw/zinc/21/78/88/501217888.db2.gz DDHWIADZCCTCMC-UHFFFAOYSA-N -1 3 365.433 3.250 20 0 FGADHM COCCN(C(=O)c1cc(Oc2ccccc2)ccc1[O-])[C@@H]1CCOC1 ZINC000436831815 501218435 /nfs/dbraw/zinc/21/84/35/501218435.db2.gz GOFSCBDTTLADES-OAHLLOKOSA-N -1 3 357.406 3.062 20 0 FGADHM CCc1ccc(C(=O)NCc2ccc(C)cc2N2CCOCC2)c([O-])c1 ZINC000436833290 501218530 /nfs/dbraw/zinc/21/85/30/501218530.db2.gz VMGFKVFJTCGWHF-UHFFFAOYSA-N -1 3 354.450 3.030 20 0 FGADHM COC(=O)C[C@@H](NC(=O)c1ccc(O)cc1[O-])c1cccc2ccccc21 ZINC000436847798 501220473 /nfs/dbraw/zinc/22/04/73/501220473.db2.gz LRUOZASSDPKEEN-GOSISDBHSA-N -1 3 365.385 3.285 20 0 FGADHM C[C@H]1Cc2ccc(Br)cc2CN1C(=O)c1ccc(O)cc1[O-] ZINC000436867836 501223786 /nfs/dbraw/zinc/22/37/86/501223786.db2.gz FAXJLDMENRWMPK-JTQLQIEISA-N -1 3 362.223 3.447 20 0 FGADHM COc1ccc(CNC(=O)c2cc(OC)c([O-])c(OC)c2)cc1Cl ZINC000436882535 501226557 /nfs/dbraw/zinc/22/65/57/501226557.db2.gz SKLSSSUZSGOYKQ-UHFFFAOYSA-N -1 3 351.786 3.001 20 0 FGADHM Cc1noc(C[C@@H](NC(=O)c2ccc(C)c(C)c2[O-])c2ccccc2)n1 ZINC000436880517 501226816 /nfs/dbraw/zinc/22/68/16/501226816.db2.gz KBHIPLJWTYBABW-QGZVFWFLSA-N -1 3 351.406 3.414 20 0 FGADHM COC(=O)C[C@H](NC(=O)c1ccccc1[O-])c1ccc(C(F)(F)F)cc1 ZINC000436884665 501227099 /nfs/dbraw/zinc/22/70/99/501227099.db2.gz GMQXAQJMXDXCNZ-AWEZNQCLSA-N -1 3 367.323 3.445 20 0 FGADHM CC[C@H](C)N(CC(=O)OC)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436893716 501228625 /nfs/dbraw/zinc/22/86/25/501228625.db2.gz OETJREOJWRJJOZ-HNNXBMFYSA-N -1 3 355.434 3.397 20 0 FGADHM CN(C)[C@@H](C[N-]S(=O)(=O)Cc1c(F)cccc1Cl)c1ccccc1 ZINC000450970797 501235908 /nfs/dbraw/zinc/23/59/08/501235908.db2.gz NPSNEDDUOWYHMA-KRWDZBQOSA-N -1 3 370.877 3.201 20 0 FGADHM CO[C@@H](CS(=O)(=O)[N-]c1ccc2c(c1)OC(C)(C)O2)c1ccccc1 ZINC000450980887 501236605 /nfs/dbraw/zinc/23/66/05/501236605.db2.gz GYUVGMYFNDDTBS-KRWDZBQOSA-N -1 3 363.435 3.323 20 0 FGADHM CCC(=O)Nc1ccc([N-]S(=O)(=O)C[C@H](OC)c2ccccc2)cc1 ZINC000450979676 501236613 /nfs/dbraw/zinc/23/66/13/501236613.db2.gz BAHQIGMFXXNMDW-KRWDZBQOSA-N -1 3 362.451 3.165 20 0 FGADHM CN(C)[C@@H](C[N-]S(=O)(=O)c1cc2cc(F)ccc2o1)c1cccs1 ZINC000450982541 501236828 /nfs/dbraw/zinc/23/68/28/501236828.db2.gz ULBIUPQIEHFHAW-ZDUSSCGKSA-N -1 3 368.455 3.215 20 0 FGADHM O=S(=O)(CCCCF)[N-]c1cnn(-c2cccc(C(F)(F)F)c2)c1 ZINC000451012494 501239040 /nfs/dbraw/zinc/23/90/40/501239040.db2.gz WWWZYGBTLLSENK-UHFFFAOYSA-N -1 3 365.352 3.383 20 0 FGADHM COc1ccccc1S(=O)(=O)[N-][C@H](c1nc(C)cs1)C(F)(F)F ZINC000451059720 501242660 /nfs/dbraw/zinc/24/26/60/501242660.db2.gz ILVFRXRGOJYZLC-LLVKDONJSA-N -1 3 366.386 3.042 20 0 FGADHM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(C)c(C)cc2Cl)c(C)o1 ZINC000451081455 501243955 /nfs/dbraw/zinc/24/39/55/501243955.db2.gz MJMJMZXKVXIMLC-UHFFFAOYSA-N -1 3 357.815 3.446 20 0 FGADHM Cc1csc(S(=O)(=O)[N-]C2CCN(Cc3ccc(F)cc3)CC2)c1 ZINC000451079715 501243995 /nfs/dbraw/zinc/24/39/95/501243995.db2.gz AELXVQVWLHVEAP-UHFFFAOYSA-N -1 3 368.499 3.139 20 0 FGADHM CCOc1ccc(Cl)c([N-]S(=O)(=O)c2cccc3c2OCCO3)c1 ZINC000451094715 501245171 /nfs/dbraw/zinc/24/51/71/501245171.db2.gz QLGDXZVQXPIKGG-UHFFFAOYSA-N -1 3 369.826 3.311 20 0 FGADHM Cc1csc(S(=O)(=O)[N-]CC2(c3ccccc3C)CCOCC2)c1 ZINC000451110909 501246491 /nfs/dbraw/zinc/24/64/91/501246491.db2.gz ZMIWDMVKQFAYHW-UHFFFAOYSA-N -1 3 365.520 3.392 20 0 FGADHM COC(=O)c1cc(Cl)c(C)c(S(=O)(=O)[N-]CCCC(F)(F)F)c1 ZINC000451262473 501255953 /nfs/dbraw/zinc/25/59/53/501255953.db2.gz OKAXBAMAUMEYSS-UHFFFAOYSA-N -1 3 373.780 3.056 20 0 FGADHM O=S(=O)(Cc1c(F)cccc1Cl)[N-][C@H]1CCCC[C@@H]1n1cccn1 ZINC000451273934 501256848 /nfs/dbraw/zinc/25/68/48/501256848.db2.gz OJSNWHNDCYHJEC-HOTGVXAUSA-N -1 3 371.865 3.279 20 0 FGADHM CCOCCC1(C[N-]S(=O)(=O)c2ccc3ccccc3c2F)CC1 ZINC000451339303 501269543 /nfs/dbraw/zinc/26/95/43/501269543.db2.gz ADRNSIRXJIFZBH-UHFFFAOYSA-N -1 3 351.443 3.464 20 0 FGADHM Cc1ccnc([C@@H]([N-]S(=O)(=O)Cc2c(F)cccc2Cl)C2CC2)n1 ZINC000451365897 501276312 /nfs/dbraw/zinc/27/63/12/501276312.db2.gz HNZHMILQGFUGQF-HNNXBMFYSA-N -1 3 369.849 3.148 20 0 FGADHM Cc1csc(S(=O)(=O)[N-][C@H]2CCO[C@H]2c2ccc(F)c(F)c2)c1 ZINC000451367020 501276476 /nfs/dbraw/zinc/27/64/76/501276476.db2.gz KOCOEEKJXQDWMH-ZFWWWQNUSA-N -1 3 359.419 3.143 20 0 FGADHM COCCN(C(=O)CCc1ccc2ccccc2c1[O-])[C@H]1CCO[C@@H]1C ZINC000451471155 501300444 /nfs/dbraw/zinc/30/04/44/501300444.db2.gz OWUMXUPCDKKVMI-BEFAXECRSA-N -1 3 357.450 3.130 20 0 FGADHM O=S(=O)(Cc1c(F)cccc1Cl)[N-][C@@H]1CCC[C@H]1OC(F)F ZINC000451514180 501310447 /nfs/dbraw/zinc/31/04/47/501310447.db2.gz XRRTZLYHUVFSCF-VXGBXAGGSA-N -1 3 357.781 3.059 20 0 FGADHM O=S(=O)([N-]CCCC1CCOCC1)c1c(Cl)cccc1Cl ZINC000451610937 501336444 /nfs/dbraw/zinc/33/64/44/501336444.db2.gz VEPBFSKKENAXHS-UHFFFAOYSA-N -1 3 352.283 3.479 20 0 FGADHM CN(C(=O)c1cnc2c(cnn2C)c1[O-])[C@H]1CCC[C@H]1c1ccccc1 ZINC000458032206 501359681 /nfs/dbraw/zinc/35/96/81/501359681.db2.gz TWYMUBRDGVYRQL-YOEHRIQHSA-N -1 3 350.422 3.082 20 0 FGADHM CN(C(=O)c1ccc([N-]S(C)(=O)=O)cc1)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000458086526 501369781 /nfs/dbraw/zinc/36/97/81/501369781.db2.gz KZUAETHAHQJZNH-RTBURBONSA-N -1 3 372.490 3.466 20 0 FGADHM CC[C@](C)(C[N-]S(=O)(=O)c1ccc(OC)c(Cl)c1Cl)OC ZINC000451796469 501373702 /nfs/dbraw/zinc/37/37/02/501373702.db2.gz LSMSYLYEZIYSDI-CYBMUJFWSA-N -1 3 356.271 3.095 20 0 FGADHM CO[C@](C)(C[N-]S(=O)(=O)Cc1ccccc1Cl)c1ccccc1 ZINC000451820317 501379858 /nfs/dbraw/zinc/37/98/58/501379858.db2.gz ADTQKTMCRPAYAN-QGZVFWFLSA-N -1 3 353.871 3.321 20 0 FGADHM CC[C@@H]1C[C@H]1C[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000451822426 501380056 /nfs/dbraw/zinc/38/00/56/501380056.db2.gz HGDZQNQBRWAGDM-MCIONIFRSA-N -1 3 373.902 3.080 20 0 FGADHM CCOC(=O)[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000451943359 501405491 /nfs/dbraw/zinc/40/54/91/501405491.db2.gz DMAJBAUTAJKSBU-SKDRFNHKSA-N -1 3 366.266 3.004 20 0 FGADHM CCC1(C[N-]S(=O)(=O)c2cc(Cl)ccc2OCCC2CC2)COC1 ZINC000451954229 501407034 /nfs/dbraw/zinc/40/70/34/501407034.db2.gz WREZUGOKFUNQOO-UHFFFAOYSA-N -1 3 373.902 3.224 20 0 FGADHM CC[C@@H](O)[C@@H](CC)[N-]S(=O)(=O)c1ccc(-c2csc(C)n2)s1 ZINC000451981175 501412681 /nfs/dbraw/zinc/41/26/81/501412681.db2.gz SCDBJCNCEMENHA-ZYHUDNBSSA-N -1 3 360.526 3.008 20 0 FGADHM COc1cccnc1C[N-]S(=O)(=O)c1cc(C(C)C)ccc1Cl ZINC000452050541 501425679 /nfs/dbraw/zinc/42/56/79/501425679.db2.gz WDOSNKSBYONXLG-UHFFFAOYSA-N -1 3 354.859 3.346 20 0 FGADHM C[C@H](c1ccc(C(=O)NCc2nnc(C(F)(F)F)[n-]2)cc1)C(F)(F)F ZINC000456019774 501439210 /nfs/dbraw/zinc/43/92/10/501439210.db2.gz KOMFGNWIWAANGO-SSDOTTSWSA-N -1 3 366.265 3.419 20 0 FGADHM C[C@H](c1ccc(C(=O)NCc2n[n-]c(C(F)(F)F)n2)cc1)C(F)(F)F ZINC000456019774 501439214 /nfs/dbraw/zinc/43/92/14/501439214.db2.gz KOMFGNWIWAANGO-SSDOTTSWSA-N -1 3 366.265 3.419 20 0 FGADHM C[C@H](c1ccc(C(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1)C(F)(F)F ZINC000456019774 501439216 /nfs/dbraw/zinc/43/92/16/501439216.db2.gz KOMFGNWIWAANGO-SSDOTTSWSA-N -1 3 366.265 3.419 20 0 FGADHM C[C@@](Cc1ccccc1)(NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)C1CC1 ZINC000454355525 501521625 /nfs/dbraw/zinc/52/16/25/501521625.db2.gz FILDRABOZWRAOM-NRFANRHFSA-N -1 3 363.417 3.103 20 0 FGADHM CC(C)Oc1cccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])c1 ZINC000452683852 501544682 /nfs/dbraw/zinc/54/46/82/501544682.db2.gz KYZNJTPWETURQU-SFHVURJKSA-N -1 3 368.433 3.423 20 0 FGADHM Cc1c(Br)ccc([O-])c1NC(=O)c1ccc(N2CCC2)nc1 ZINC000452745618 501554642 /nfs/dbraw/zinc/55/46/42/501554642.db2.gz FCJCRBYLWIXJET-UHFFFAOYSA-N -1 3 362.227 3.321 20 0 FGADHM CC[C@@H]1C[C@H]1CNC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000452772461 501560194 /nfs/dbraw/zinc/56/01/94/501560194.db2.gz KEOIOVCDFDVQQA-BPAFIMBUSA-N -1 3 366.461 3.416 20 0 FGADHM CC/C=C/CNC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000458967587 501567111 /nfs/dbraw/zinc/56/71/11/501567111.db2.gz HQTXTOBLYRIENW-ONEGZZNKSA-N -1 3 365.861 3.372 20 0 FGADHM O=C(N[C@@H]([C@H](CO)C1CC1)C1CC1)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000452963242 501593995 /nfs/dbraw/zinc/59/39/95/501593995.db2.gz URBBGLLNROSWCT-IUODEOHRSA-N -1 3 365.886 3.319 20 0 FGADHM CCOC(=O)Cc1cnc(NC(=O)CCCc2ccc([O-])c(F)c2)s1 ZINC000456880832 501614090 /nfs/dbraw/zinc/61/40/90/501614090.db2.gz CKEJFAWEHPWKKC-UHFFFAOYSA-N -1 3 366.414 3.055 20 0 FGADHM CC1(C)C[C@@H](CNC(=O)Cc2ccc(Br)cc2[O-])CCO1 ZINC000457186554 501663011 /nfs/dbraw/zinc/66/30/11/501663011.db2.gz OAPOUAKVIVPFBT-NSHDSACASA-N -1 3 356.260 3.019 20 0 FGADHM [O-]c1cccc(CN2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)c1Br ZINC000459502237 501665053 /nfs/dbraw/zinc/66/50/53/501665053.db2.gz GDFNRBDMTDLVRT-ZWNOBZJWSA-N -1 3 368.193 3.290 20 0 FGADHM CCOc1cc(CN2CCC([C@@H](C)NC(C)=O)CC2)cc(Cl)c1[O-] ZINC000459539350 501672403 /nfs/dbraw/zinc/67/24/03/501672403.db2.gz TUWYVTLCGPPCIV-GFCCVEGCSA-N -1 3 354.878 3.181 20 0 FGADHM CC[C@]1(C(C)C)C[C@@H]1NC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000457256734 501673021 /nfs/dbraw/zinc/67/30/21/501673021.db2.gz BHFOGGOXCBVZOF-FXAWDEMLSA-N -1 3 371.437 3.495 20 0 FGADHM CCN(CC(=O)N1CCCCCC1)Cc1cccc([O-])c1Br ZINC000459548658 501674472 /nfs/dbraw/zinc/67/44/72/501674472.db2.gz MLQUZSPRSZJMQG-UHFFFAOYSA-N -1 3 369.303 3.379 20 0 FGADHM C[S@@](=O)Cc1ccc(CNCc2cccc([O-])c2Br)cc1 ZINC000459548639 501674569 /nfs/dbraw/zinc/67/45/69/501674569.db2.gz MJJPJKMRGNKNGG-OAQYLSRUSA-N -1 3 368.296 3.323 20 0 FGADHM CCOc1cc(CN(CC(F)F)C[C@@H](C)O)cc(Br)c1[O-] ZINC000459563616 501677545 /nfs/dbraw/zinc/67/75/45/501677545.db2.gz DOBVAPSMODCZCM-SECBINFHSA-N -1 3 368.218 3.001 20 0 FGADHM CCOc1cc(CNC(C)(C)c2nnc3n2CCCC3)cc(Cl)c1[O-] ZINC000459575754 501679504 /nfs/dbraw/zinc/67/95/04/501679504.db2.gz KPTJWJGYQZHWRP-UHFFFAOYSA-N -1 3 364.877 3.397 20 0 FGADHM CCOc1cc(CN2CC[C@H](O)C23CCCC3)cc(Br)c1[O-] ZINC000459595772 501683940 /nfs/dbraw/zinc/68/39/40/501683940.db2.gz TWRIFDQKXCBYAW-HNNXBMFYSA-N -1 3 370.287 3.433 20 0 FGADHM CS(=O)(=O)[N-]c1ccc(C(=O)NCC2(Cc3ccccc3)CCC2)cc1 ZINC000467221123 501743200 /nfs/dbraw/zinc/74/32/00/501743200.db2.gz ZSQDXIPLZRRLMD-UHFFFAOYSA-N -1 3 372.490 3.201 20 0 FGADHM Cc1nc(C(C)(C)[N-]S(=O)(=O)c2oc3ccc(Cl)cc3c2C)no1 ZINC000470614964 501743786 /nfs/dbraw/zinc/74/37/86/501743786.db2.gz SUVIGFLYXHFSKC-UHFFFAOYSA-N -1 3 369.830 3.300 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1cncc(Br)c1)[C@@H](C)c1ccccc1 ZINC000474213585 501747262 /nfs/dbraw/zinc/74/72/62/501747262.db2.gz ZLGGPAAWNSPDKK-NEPJUHHUSA-N -1 3 369.284 3.315 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(N(C)C)cn3)c2)n1 ZINC000460192943 501755391 /nfs/dbraw/zinc/75/53/91/501755391.db2.gz XZDPFEGNUGOQJJ-UHFFFAOYSA-N -1 3 363.421 3.125 20 0 FGADHM CC(C)(C)CC[C@H](CO)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000481487423 501788971 /nfs/dbraw/zinc/78/89/71/501788971.db2.gz CHFGJBOXJJHBOL-SNVBAGLBSA-N -1 3 354.299 3.459 20 0 FGADHM Cc1ccc(F)c(S(=O)(=O)[N-]C(C)(C)CCC(=O)OC(C)(C)C)c1 ZINC000470756400 501793222 /nfs/dbraw/zinc/79/32/22/501793222.db2.gz NYQGLDMDUWBEGJ-UHFFFAOYSA-N -1 3 359.463 3.313 20 0 FGADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCOc3c(C)cccc32)c(F)cc1F ZINC000474385036 501816533 /nfs/dbraw/zinc/81/65/33/501816533.db2.gz OXRMGMXJHWPXRI-OAHLLOKOSA-N -1 3 353.390 3.384 20 0 FGADHM CCn1nc(C)c([N-]S(=O)(=O)N2CCC3(CCCCC3)CC2)c1C ZINC000481583153 501822741 /nfs/dbraw/zinc/82/27/41/501822741.db2.gz AMFGHOMLWGIKRA-UHFFFAOYSA-N -1 3 354.520 3.223 20 0 FGADHM CCCN(C)S(=O)(=O)[N-]c1ccc(Cl)cc1OCC(F)(F)F ZINC000481612044 501832112 /nfs/dbraw/zinc/83/21/12/501832112.db2.gz RNWDDYCKRGIBCM-UHFFFAOYSA-N -1 3 360.785 3.280 20 0 FGADHM CCc1ccc([O-])c(C(=O)Nc2ccc(O[C@H]3CCN(C)C3=O)cc2C)c1 ZINC000467693506 501847514 /nfs/dbraw/zinc/84/75/14/501847514.db2.gz XEXQXNLGGCHVQT-IBGZPJMESA-N -1 3 368.433 3.125 20 0 FGADHM Cc1cc(C(=O)N=c2cc(-c3cc(F)cc(F)c3)[n-][nH]2)nn1C(C)(C)C ZINC000467713074 501851161 /nfs/dbraw/zinc/85/11/61/501851161.db2.gz KWMYBCKVMUXRMN-UHFFFAOYSA-N -1 3 359.380 3.289 20 0 FGADHM O=C(COc1ccc(F)cc1F)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1 ZINC000467725509 501855491 /nfs/dbraw/zinc/85/54/91/501855491.db2.gz XXOHOQVBMSLDHM-UHFFFAOYSA-N -1 3 365.286 3.073 20 0 FGADHM Cc1nc(-c2ccc(NC(=O)N(C)Cc3nccs3)cc2)cc(=O)[n-]1 ZINC000467773385 501867970 /nfs/dbraw/zinc/86/79/70/501867970.db2.gz XLPNDNUADRAGIJ-UHFFFAOYSA-N -1 3 355.423 3.278 20 0 FGADHM CSCCCN(C)C(=O)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O ZINC000467793381 501874513 /nfs/dbraw/zinc/87/45/13/501874513.db2.gz SRFLWDXVFYXVRQ-UHFFFAOYSA-N -1 3 374.384 3.252 20 0 FGADHM COc1ccc(S(=O)(=O)[N-][C@@H]2CCSc3ccc(F)cc32)c(F)c1 ZINC000478142719 501892267 /nfs/dbraw/zinc/89/22/67/501892267.db2.gz CNNPLTWARYCNLW-CQSZACIVSA-N -1 3 371.430 3.489 20 0 FGADHM COc1ccc(S(=O)(=O)[N-][C@H]2CCSc3ccc(F)cc32)c(F)c1 ZINC000478142713 501892878 /nfs/dbraw/zinc/89/28/78/501892878.db2.gz CNNPLTWARYCNLW-AWEZNQCLSA-N -1 3 371.430 3.489 20 0 FGADHM CCCCc1nc(C(=O)OCC)c(NC(=O)c2ccnn2C2CCCC2)[n-]1 ZINC000485672842 501896374 /nfs/dbraw/zinc/89/63/74/501896374.db2.gz OZLSQLXMZMZSIZ-UHFFFAOYSA-N -1 3 373.457 3.493 20 0 FGADHM CCCCc1nc(NC(=O)c2ccnn2C2CCCC2)c(C(=O)OCC)[n-]1 ZINC000485672842 501896379 /nfs/dbraw/zinc/89/63/79/501896379.db2.gz OZLSQLXMZMZSIZ-UHFFFAOYSA-N -1 3 373.457 3.493 20 0 FGADHM Cc1cc2c(cc1S(=O)(=O)[N-]C1(C(F)(F)F)CCCCC1)OCO2 ZINC000481857379 501901243 /nfs/dbraw/zinc/90/12/43/501901243.db2.gz AGOYQHFXRMOYPE-UHFFFAOYSA-N -1 3 365.373 3.267 20 0 FGADHM CCCCc1nc(C(=O)OCC)c(NC(=O)c2ccc(OC(C)C)nc2)[n-]1 ZINC000485701951 501906772 /nfs/dbraw/zinc/90/67/72/501906772.db2.gz QEXHRWJZGXQPJL-UHFFFAOYSA-N -1 3 374.441 3.364 20 0 FGADHM CCCCc1nc(NC(=O)c2ccc(OC(C)C)nc2)c(C(=O)OCC)[n-]1 ZINC000485701951 501906775 /nfs/dbraw/zinc/90/67/75/501906775.db2.gz QEXHRWJZGXQPJL-UHFFFAOYSA-N -1 3 374.441 3.364 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2c3c(ccc2Cl)OCC3)cc1F ZINC000481889716 501909998 /nfs/dbraw/zinc/90/99/98/501909998.db2.gz PWENMCGXECMCSW-UHFFFAOYSA-N -1 3 357.790 3.223 20 0 FGADHM O=C(CCc1ccc(Cl)cc1Cl)NCc1nnc(C(F)(F)F)[n-]1 ZINC000481889844 501910236 /nfs/dbraw/zinc/91/02/36/501910236.db2.gz HCDCVXUYYULMRM-UHFFFAOYSA-N -1 3 367.158 3.379 20 0 FGADHM O=C(CCc1ccc(Cl)cc1Cl)NCc1n[n-]c(C(F)(F)F)n1 ZINC000481889844 501910237 /nfs/dbraw/zinc/91/02/37/501910237.db2.gz HCDCVXUYYULMRM-UHFFFAOYSA-N -1 3 367.158 3.379 20 0 FGADHM O=C(CCc1ccc(Cl)cc1Cl)NCc1nc(C(F)(F)F)n[n-]1 ZINC000481889844 501910241 /nfs/dbraw/zinc/91/02/41/501910241.db2.gz HCDCVXUYYULMRM-UHFFFAOYSA-N -1 3 367.158 3.379 20 0 FGADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)[C@H]1C[C@H]1c1c(F)cccc1Cl ZINC000481911011 501916124 /nfs/dbraw/zinc/91/61/24/501916124.db2.gz PFIAXILKUZEEOX-RQJHMYQMSA-N -1 3 362.714 3.036 20 0 FGADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)[C@H]1C[C@H]1c1c(F)cccc1Cl ZINC000481911011 501916129 /nfs/dbraw/zinc/91/61/29/501916129.db2.gz PFIAXILKUZEEOX-RQJHMYQMSA-N -1 3 362.714 3.036 20 0 FGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)[C@H]1C[C@H]1c1c(F)cccc1Cl ZINC000481911011 501916133 /nfs/dbraw/zinc/91/61/33/501916133.db2.gz PFIAXILKUZEEOX-RQJHMYQMSA-N -1 3 362.714 3.036 20 0 FGADHM Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCc2nnc(C(F)(F)F)[n-]2)c1 ZINC000481934077 501922666 /nfs/dbraw/zinc/92/26/66/501922666.db2.gz QSKQDLSAIYMIKK-LLVKDONJSA-N -1 3 370.375 3.339 20 0 FGADHM Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCc2n[n-]c(C(F)(F)F)n2)c1 ZINC000481934077 501922669 /nfs/dbraw/zinc/92/26/69/501922669.db2.gz QSKQDLSAIYMIKK-LLVKDONJSA-N -1 3 370.375 3.339 20 0 FGADHM Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCc2nc(C(F)(F)F)n[n-]2)c1 ZINC000481934077 501922672 /nfs/dbraw/zinc/92/26/72/501922672.db2.gz QSKQDLSAIYMIKK-LLVKDONJSA-N -1 3 370.375 3.339 20 0 FGADHM C[C@@H]1CCCN(C(=O)C(=O)Nc2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000474729927 501936176 /nfs/dbraw/zinc/93/61/76/501936176.db2.gz NQPKTUPJVQRLGT-OAHLLOKOSA-N -1 3 352.434 3.180 20 0 FGADHM CCc1ncc(S(=O)(=O)[N-][C@@H](c2ccccc2)c2cccnc2)s1 ZINC000460943959 501966405 /nfs/dbraw/zinc/96/64/05/501966405.db2.gz BUIPVGOFHICDOS-KRWDZBQOSA-N -1 3 359.476 3.168 20 0 FGADHM CCc1ncc(S(=O)(=O)[N-][C@@H]2CCSc3c(F)cccc32)s1 ZINC000460951923 501968208 /nfs/dbraw/zinc/96/82/08/501968208.db2.gz MVSHKASLCYHINU-LLVKDONJSA-N -1 3 358.485 3.360 20 0 FGADHM Cc1cccc2[nH]cc(CC[N-]S(=O)(=O)c3cc(F)cc(F)c3)c21 ZINC000485872280 501969142 /nfs/dbraw/zinc/96/91/42/501969142.db2.gz SEXFWVMCHCUDME-UHFFFAOYSA-N -1 3 350.390 3.276 20 0 FGADHM CCc1ncc(S(=O)(=O)[N-]C[C@H](c2ccsc2)N(CC)CC)s1 ZINC000460959480 501970390 /nfs/dbraw/zinc/97/03/90/501970390.db2.gz PHBYBNZIRBFCHI-CYBMUJFWSA-N -1 3 373.569 3.128 20 0 FGADHM O=C(N=c1cc(-c2ccccc2)[n-][nH]1)c1ccc2nc(C(F)(F)F)cn2c1 ZINC000474856464 501972771 /nfs/dbraw/zinc/97/27/71/501972771.db2.gz BGILEEPWXSQONG-UHFFFAOYSA-N -1 3 371.322 3.417 20 0 FGADHM Cc1occc1CN(C)C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482112009 501978271 /nfs/dbraw/zinc/97/82/71/501978271.db2.gz GGZMSPDNKAIZHA-UHFFFAOYSA-N -1 3 363.215 3.084 20 0 FGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)Cc1cccc(Cl)c1F ZINC000464401037 501978911 /nfs/dbraw/zinc/97/89/11/501978911.db2.gz CLVZGCQIFNORTI-UHFFFAOYSA-N -1 3 354.765 3.387 20 0 FGADHM CCOc1ccccc1[C@](N)(C(=O)Nc1ccc([O-])cc1F)C(F)(F)F ZINC000471292993 501980661 /nfs/dbraw/zinc/98/06/61/501980661.db2.gz QPCRDCFKSSCTAK-INIZCTEOSA-N -1 3 372.318 3.285 20 0 FGADHM CCCN(CC(C)C)C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482171328 501996989 /nfs/dbraw/zinc/99/69/89/501996989.db2.gz UUTMHCZJASMULT-UHFFFAOYSA-N -1 3 353.264 3.419 20 0 FGADHM C[C@@H]1CC[C@H](CNC(=O)N=c2cc3ccc(Br)cn3[n-]2)C1 ZINC000482188771 502002015 /nfs/dbraw/zinc/00/20/15/502002015.db2.gz SBTMGIHKBXBANU-MNOVXSKESA-N -1 3 351.248 3.076 20 0 FGADHM Cc1nn(-c2ccccc2C)c(C)c1CN(C)C(=O)c1csc(=O)[n-]1 ZINC000471383120 502005997 /nfs/dbraw/zinc/00/59/97/502005997.db2.gz JYIGJEAMHODNKE-UHFFFAOYSA-N -1 3 356.451 3.232 20 0 FGADHM C[C@H](NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)c1ccc2ncsc2c1 ZINC000485987441 502011415 /nfs/dbraw/zinc/01/14/15/502011415.db2.gz YBWZLGZAXLYRNC-VIFPVBQESA-N -1 3 366.402 3.063 20 0 FGADHM Cc1onc(-c2cccnc2)c1C(=O)[N-]c1nc(-c2cccs2)nn1C ZINC000464511343 502012623 /nfs/dbraw/zinc/01/26/23/502012623.db2.gz AZRIFUWSUHKHJB-UHFFFAOYSA-N -1 3 366.406 3.154 20 0 FGADHM CCc1cc(=O)[n-]c(CN(C)CC(=O)Nc2c(Cl)cccc2Cl)n1 ZINC000468269216 502012869 /nfs/dbraw/zinc/01/28/69/502012869.db2.gz FPPMCRMDSOGFLF-UHFFFAOYSA-N -1 3 369.252 3.122 20 0 FGADHM C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000482227875 502012914 /nfs/dbraw/zinc/01/29/14/502012914.db2.gz JADGUNZQXCBEJX-JTQLQIEISA-N -1 3 370.375 3.205 20 0 FGADHM C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000482227875 502012917 /nfs/dbraw/zinc/01/29/17/502012917.db2.gz JADGUNZQXCBEJX-JTQLQIEISA-N -1 3 370.375 3.205 20 0 FGADHM C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000482227875 502012923 /nfs/dbraw/zinc/01/29/23/502012923.db2.gz JADGUNZQXCBEJX-JTQLQIEISA-N -1 3 370.375 3.205 20 0 FGADHM CCc1cc(=O)[n-]c(CN(C)CCOc2ccc(Br)cc2)n1 ZINC000468277894 502015209 /nfs/dbraw/zinc/01/52/09/502015209.db2.gz OWLNMOAYEXYIDM-UHFFFAOYSA-N -1 3 366.259 3.018 20 0 FGADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)c1ccc(-c2ccc(F)cc2)o1 ZINC000482247651 502019279 /nfs/dbraw/zinc/01/92/79/502019279.db2.gz WFRRIQVEJOKXDG-UHFFFAOYSA-N -1 3 354.263 3.153 20 0 FGADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)c1ccc(-c2ccc(F)cc2)o1 ZINC000482247651 502019284 /nfs/dbraw/zinc/01/92/84/502019284.db2.gz WFRRIQVEJOKXDG-UHFFFAOYSA-N -1 3 354.263 3.153 20 0 FGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1ccc(-c2ccc(F)cc2)o1 ZINC000482247651 502019290 /nfs/dbraw/zinc/01/92/90/502019290.db2.gz WFRRIQVEJOKXDG-UHFFFAOYSA-N -1 3 354.263 3.153 20 0 FGADHM CCOC(=O)c1sc([N-]C(=O)c2cscn2)c(C(=O)OCC)c1C ZINC000482248929 502020483 /nfs/dbraw/zinc/02/04/83/502020483.db2.gz YTLXRYBEDJAGOP-UHFFFAOYSA-N -1 3 368.436 3.119 20 0 FGADHM C[C@H]1CC[C@@H](CN(C)Cc2cccc([N-]S(=O)(=O)c3ccccc3)c2)O1 ZINC000475058147 502040538 /nfs/dbraw/zinc/04/05/38/502040538.db2.gz PJONSUBNNPKPKG-LPHOPBHVSA-N -1 3 374.506 3.487 20 0 FGADHM CCC(=O)c1ccc(C(=O)N=c2nc(-c3ccccc3Cl)[n-]n2C)cc1 ZINC000461212919 502040872 /nfs/dbraw/zinc/04/08/72/502040872.db2.gz BHFXUOYBHWBEIF-UHFFFAOYSA-N -1 3 368.824 3.402 20 0 FGADHM CC(C)C[C@H](C)OCCC(=O)N=c1nc(-c2ccccc2Cl)[n-]n1C ZINC000461233244 502047395 /nfs/dbraw/zinc/04/73/95/502047395.db2.gz MTNIPLRHZYHCNZ-ZDUSSCGKSA-N -1 3 364.877 3.337 20 0 FGADHM C[C@@H](OCc1ccccc1)C(=O)N=c1nc(-c2ccccc2Cl)[n-]n1C ZINC000461239413 502048892 /nfs/dbraw/zinc/04/88/92/502048892.db2.gz IFGJYUNRNVGCDO-CYBMUJFWSA-N -1 3 370.840 3.101 20 0 FGADHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccccc2CC(F)(F)F)cc1 ZINC000461243375 502050520 /nfs/dbraw/zinc/05/05/20/502050520.db2.gz HBBQOMKJZARKSW-UHFFFAOYSA-N -1 3 372.368 3.415 20 0 FGADHM O=C([N-]c1nc2cc(Cl)ccn2n1)c1cncnc1-c1ccccc1 ZINC000464652295 502055541 /nfs/dbraw/zinc/05/55/41/502055541.db2.gz YKORCBIUFXBCPA-UHFFFAOYSA-N -1 3 350.769 3.092 20 0 FGADHM COC(=O)c1cc(F)cc([N-]S(=O)(=O)c2ccc(SC)cc2)c1F ZINC000478696347 502059570 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O=C(NC[C@@H]1CCO[C@H]1c1ccc(F)cc1)c1c[n-]c2ccccc2c1=O ZINC000486299997 502115766 /nfs/dbraw/zinc/11/57/66/502115766.db2.gz HWDHOYHBUXKHHS-XOBRGWDASA-N -1 3 366.392 3.175 20 0 FGADHM CCc1cc(C(=O)NC[C@@H](Cc2cccc(C)c2)C(=O)OC)ccc1[O-] ZINC000486304947 502117694 /nfs/dbraw/zinc/11/76/94/502117694.db2.gz OOKHPSSYXIWHRV-GOSISDBHSA-N -1 3 355.434 3.025 20 0 FGADHM C[C@@H]1C[C@@H]1[C@@H](NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)c1ccc(Cl)cc1 ZINC000461450489 502119303 /nfs/dbraw/zinc/11/93/03/502119303.db2.gz SSQJDVOKRPBPMZ-PHEKWQANSA-N -1 3 368.820 3.351 20 0 FGADHM O=C(NCCOc1ccccc1-c1ccccc1)NCc1ncccc1[O-] ZINC000471727846 502120185 /nfs/dbraw/zinc/12/01/85/502120185.db2.gz RZRWSICOQSQARN-UHFFFAOYSA-N -1 3 363.417 3.332 20 0 FGADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]C[C@@H]1Cc2ccccc2O1 ZINC000471777629 502134190 /nfs/dbraw/zinc/13/41/90/502134190.db2.gz BEZDJXYRCALAOZ-AWEZNQCLSA-N -1 3 361.394 3.162 20 0 FGADHM Cc1ccc([C@@H](NC(=O)NCc2nnc(C(F)(F)F)[n-]2)C2CC2)cc1 ZINC000482639201 502136683 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/nfs/dbraw/zinc/18/33/55/502183355.db2.gz BLCAYMYGRHTXLR-UHFFFAOYSA-N -1 3 363.501 3.038 20 0 FGADHM CCN(CC)c1ccc(CNC(=O)CCCc2ccc([O-])c(F)c2)cn1 ZINC000468797447 502187378 /nfs/dbraw/zinc/18/73/78/502187378.db2.gz BXOHMEDRBUHHEQ-UHFFFAOYSA-N -1 3 359.445 3.412 20 0 FGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H]1CCCO[C@H]1C(C)C ZINC000486549703 502187599 /nfs/dbraw/zinc/18/75/99/502187599.db2.gz NFGGJVGKJYMWJS-LRDDRELGSA-N -1 3 361.891 3.078 20 0 FGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H](C)Oc1ccccc1C ZINC000486574430 502195143 /nfs/dbraw/zinc/19/51/43/502195143.db2.gz LKGGBXYVLWVOGT-CYBMUJFWSA-N -1 3 369.870 3.403 20 0 FGADHM O=C(c1c[n-]c2c(Cl)cc(Br)cc2c1=O)N1CCCC1 ZINC000468831714 502198920 /nfs/dbraw/zinc/19/89/20/502198920.db2.gz GGVMYGDAHLWFBZ-UHFFFAOYSA-N -1 3 355.619 3.180 20 0 FGADHM O=C(c1cnc2c(Cl)cc(Br)cc2c1[O-])N1CCCC1 ZINC000468831714 502198925 /nfs/dbraw/zinc/19/89/25/502198925.db2.gz GGVMYGDAHLWFBZ-UHFFFAOYSA-N -1 3 355.619 3.180 20 0 FGADHM Cc1cccc(C)c1NC(=O)C[N-]S(=O)(=O)CC1(C)CCCCC1 ZINC000475531213 502205641 /nfs/dbraw/zinc/20/56/41/502205641.db2.gz MDUPKDSFTZKEHE-UHFFFAOYSA-N -1 3 352.500 3.132 20 0 FGADHM CC[C@@H](C)c1nc([C@@H](C)[N-]S(=O)(=O)c2ccc(C)cc2Cl)n[nH]1 ZINC000486640010 502217530 /nfs/dbraw/zinc/21/75/30/502217530.db2.gz WKDHEWHVYGZJIV-GHMZBOCLSA-N -1 3 356.879 3.320 20 0 FGADHM O=C(Nc1ccc(CNCc2cc([O-])cc(F)c2)cc1)c1ccncc1 ZINC000472067446 502218606 /nfs/dbraw/zinc/21/86/06/502218606.db2.gz HASDTSWZTOVXEU-UHFFFAOYSA-N -1 3 351.381 3.468 20 0 FGADHM COC(=O)[C@@H](CNC(=O)CCCc1ccc([O-])c(F)c1)c1ccc(C)cc1 ZINC000468899066 502222164 /nfs/dbraw/zinc/22/21/64/502222164.db2.gz KBIIYYKRMMXJSC-KRWDZBQOSA-N -1 3 373.424 3.235 20 0 FGADHM COCCN(CCc1ccccc1)C(=O)c1c[n-]c2c(C)cccc2c1=O ZINC000482946856 502224390 /nfs/dbraw/zinc/22/43/90/502224390.db2.gz KTBDRKMCOJEOPY-UHFFFAOYSA-N -1 3 364.445 3.168 20 0 FGADHM Cc1ccc2c(c1)CC[C@@H](C(=O)Nc1n[n-]c(-c3ccccc3F)n1)O2 ZINC000479367766 502237588 /nfs/dbraw/zinc/23/75/88/502237588.db2.gz SIKKQYUQVFGWDT-INIZCTEOSA-N -1 3 352.369 3.252 20 0 FGADHM O=S(=O)([N-][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1)c1ccccc1F ZINC000479381422 502240068 /nfs/dbraw/zinc/24/00/68/502240068.db2.gz AEIDZHMEFSMJFG-LLVKDONJSA-N -1 3 372.824 3.175 20 0 FGADHM CCSc1ccc([C@@H](C)NC(=O)NCc2nnc(C(F)(F)F)[n-]2)cc1 ZINC000483001360 502241524 /nfs/dbraw/zinc/24/15/24/502241524.db2.gz QSOXRMYCCCHEOJ-SECBINFHSA-N -1 3 373.404 3.496 20 0 FGADHM CCSc1ccc([C@@H](C)NC(=O)NCc2n[n-]c(C(F)(F)F)n2)cc1 ZINC000483001360 502241530 /nfs/dbraw/zinc/24/15/30/502241530.db2.gz QSOXRMYCCCHEOJ-SECBINFHSA-N -1 3 373.404 3.496 20 0 FGADHM CCSc1ccc([C@@H](C)NC(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000483001360 502241535 /nfs/dbraw/zinc/24/15/35/502241535.db2.gz QSOXRMYCCCHEOJ-SECBINFHSA-N -1 3 373.404 3.496 20 0 FGADHM Cc1cccc2c(=O)c(C(=O)N(C)C[C@@H]3OCCc4ccccc43)c[n-]c12 ZINC000483003956 502242321 /nfs/dbraw/zinc/24/23/21/502242321.db2.gz KWXHQWWDEOHNKN-IBGZPJMESA-N -1 3 362.429 3.223 20 0 FGADHM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CC[C@H](C)C1 ZINC000469017326 502264799 /nfs/dbraw/zinc/26/47/99/502264799.db2.gz PQYFCAWDQBJLNJ-OBJOEFQTSA-N -1 3 361.891 3.221 20 0 FGADHM COCCOc1ccc(F)cc1S(=O)(=O)[N-][C@H]1CCC[C@@H](C)CC1 ZINC000469027321 502268554 /nfs/dbraw/zinc/26/85/54/502268554.db2.gz TUMCQNUXZADSGK-HIFRSBDPSA-N -1 3 359.463 3.098 20 0 FGADHM CCCC[C@H]([N-]S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2)C1CCC1 ZINC000465475442 502274184 /nfs/dbraw/zinc/27/41/84/502274184.db2.gz VHXMTINMXUYTFN-HNNXBMFYSA-N -1 3 368.474 3.348 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1F)c1nc(C(F)(F)F)cs1 ZINC000486826543 502276424 /nfs/dbraw/zinc/27/64/24/502276424.db2.gz QCXXIMGLRIUOQA-ZCFIWIBFSA-N -1 3 372.340 3.480 20 0 FGADHM COCc1cccc2sc([N-]C(=O)c3cc(CN4CCCC4)on3)nc21 ZINC000462021561 502278140 /nfs/dbraw/zinc/27/81/40/502278140.db2.gz BDAZIGZEDBMQKG-UHFFFAOYSA-N -1 3 372.450 3.279 20 0 FGADHM COc1ccccc1O[C@H](C)C[N-]S(=O)(=O)c1cc(F)c(C)cc1F ZINC000475747506 502279400 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/nfs/dbraw/zinc/68/11/79/502681179.db2.gz RVJWFCRRCPWZLS-UHFFFAOYSA-N -1 3 366.331 3.188 20 0 FGADHM O=C(Nc1n[n-]c(-c2c(F)cccc2F)n1)c1ccnn1-c1ccccc1 ZINC000473698525 502681184 /nfs/dbraw/zinc/68/11/84/502681184.db2.gz RVJWFCRRCPWZLS-UHFFFAOYSA-N -1 3 366.331 3.188 20 0 FGADHM CC(C)N1CCC[C@H]([N-]S(=O)(=O)c2cc(Cl)sc2Cl)C1 ZINC000477124946 502685031 /nfs/dbraw/zinc/68/50/31/502685031.db2.gz FJBWHCKELDENTP-VIFPVBQESA-N -1 3 357.328 3.206 20 0 FGADHM Cc1ccccc1OCCNC(=O)Cc1ccc(Br)cc1[O-] ZINC000477160709 502695398 /nfs/dbraw/zinc/69/53/98/502695398.db2.gz HQDQAMPARWNNQE-UHFFFAOYSA-N -1 3 364.239 3.201 20 0 FGADHM CC[C@@H](CNC(=O)c1cc(=O)c2ccccc2[n-]1)Oc1cccc(C)c1 ZINC000488412568 502706588 /nfs/dbraw/zinc/70/65/88/502706588.db2.gz OSHRRXOQIJLPRE-HNNXBMFYSA-N -1 3 350.418 3.424 20 0 FGADHM O=C([N-]c1n[nH]c(-c2cc(Cl)ccc2Cl)n1)c1cnn2cccnc12 ZINC000463160558 502709830 /nfs/dbraw/zinc/70/98/30/502709830.db2.gz JZWHWOPAALHBIJ-UHFFFAOYSA-N -1 3 374.191 3.074 20 0 FGADHM O=C([N-]c1nc(-c2ccccc2)no1)c1csc(Br)c1 ZINC000588760358 506329599 /nfs/dbraw/zinc/32/95/99/506329599.db2.gz APSFURLOBAAAID-UHFFFAOYSA-N -1 3 350.197 3.235 20 0 FGADHM COc1cc(Cl)c(S(=O)(=O)[N-]C[C@@H](OC)C(C)(C)C)cc1Cl ZINC000466885611 502714962 /nfs/dbraw/zinc/71/49/62/502714962.db2.gz VQQLVTVCOPYEJF-CYBMUJFWSA-N -1 3 370.298 3.341 20 0 FGADHM CC[C@H](C)n1ncc(NC(=O)CCc2c(C)nc(C)[n-]c2=O)c1C1CC1 ZINC000477244050 502717928 /nfs/dbraw/zinc/71/79/28/502717928.db2.gz MEHKDSVBDKQOOQ-NSHDSACASA-N -1 3 357.458 3.415 20 0 FGADHM O=C(CCCOc1ccc2c(c1)CCCC2)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000473850167 502724344 /nfs/dbraw/zinc/72/43/44/502724344.db2.gz MXVYBALCJIHEAX-IBGZPJMESA-N -1 3 369.465 3.360 20 0 FGADHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)c1c[nH]nc1-c1ccc(Cl)s1 ZINC000473851800 502724912 /nfs/dbraw/zinc/72/49/12/502724912.db2.gz SCZZATWPKRXXRX-SNVBAGLBSA-N -1 3 363.830 3.040 20 0 FGADHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)c1csc(-c2ccccc2F)n1 ZINC000473852906 502724987 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C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000463319342 502755086 /nfs/dbraw/zinc/75/50/86/502755086.db2.gz VQKXBXZXAADLCP-SECBINFHSA-N -1 3 369.252 3.388 20 0 FGADHM Cc1ccccc1[C@H]([C@@H](C)[N-]S(=O)(=O)c1ccc(F)cc1F)N(C)C ZINC000473944472 502757270 /nfs/dbraw/zinc/75/72/70/502757270.db2.gz LNBHAJJFBLMDQW-ACJLOTCBSA-N -1 3 368.449 3.243 20 0 FGADHM CCS[C@H]1CCC[C@H]1NC(=O)Cc1ccc(Br)cc1[O-] ZINC000477374646 502757770 /nfs/dbraw/zinc/75/77/70/502757770.db2.gz NTMIKZOUCZRRBB-OCCSQVGLSA-N -1 3 358.301 3.488 20 0 FGADHM Cc1cc(S(=O)(=O)[N-][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)sc1Cl ZINC000473945882 502758688 /nfs/dbraw/zinc/75/86/88/502758688.db2.gz RDEYVYXEMSNKPL-RAIGVLPGSA-N -1 3 361.916 3.336 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-][C@H](C)[C@H](c1ccccc1C)N(C)C ZINC000473946055 502759134 /nfs/dbraw/zinc/75/91/34/502759134.db2.gz BUSUUOQBTHXRIN-CZUORRHYSA-N -1 3 368.524 3.035 20 0 FGADHM Cc1ccccc1[C@H]([C@@H](C)[N-]S(=O)(=O)c1cc(F)ccc1F)N(C)C ZINC000473957271 502761573 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CCc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)C[C@H](C)CC)n2)cc1 ZINC000503217216 503369923 /nfs/dbraw/zinc/36/99/23/503369923.db2.gz GVPZRZBHCYVFLN-CHWSQXEVSA-N -1 3 351.472 3.326 20 0 FGADHM COc1ccccc1SC[C@H](C)CNC(=O)c1cc(F)cc2nn[n-]c21 ZINC000503299636 503386043 /nfs/dbraw/zinc/38/60/43/503386043.db2.gz YZJQQMKVJVWXJK-LLVKDONJSA-N -1 3 374.441 3.264 20 0 FGADHM COc1ccccc1SC[C@H](C)CNC(=O)c1cc(F)cc2[n-]nnc21 ZINC000503299636 503386044 /nfs/dbraw/zinc/38/60/44/503386044.db2.gz YZJQQMKVJVWXJK-LLVKDONJSA-N -1 3 374.441 3.264 20 0 FGADHM COc1ccccc1SC[C@H](C)CNC(=O)c1cc(F)cc2n[n-]nc21 ZINC000503299636 503386047 /nfs/dbraw/zinc/38/60/47/503386047.db2.gz YZJQQMKVJVWXJK-LLVKDONJSA-N -1 3 374.441 3.264 20 0 FGADHM Cc1[nH]n(C)c2nnc([N-]C(=O)c3cc(-c4ccccc4Cl)on3)c1-2 ZINC000511803936 503391354 /nfs/dbraw/zinc/39/13/54/503391354.db2.gz AXPKCIQKLXXTLX-UHFFFAOYSA-N -1 3 356.773 3.166 20 0 FGADHM CCCCCc1n[n-]c(=NC(=O)N2CCN(CCC(C)(C)C)CC2)s1 ZINC000515771892 503398821 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20 0 FGADHM C[C@]1(c2ccc(-c3noc([C@@H]4CC45CCCCC5)n3)cc2)NC(=O)[N-]C1=O ZINC000546942276 503934282 /nfs/dbraw/zinc/93/42/82/503934282.db2.gz FSCSTPCSBWFIQR-IFXJQAMLSA-N -1 3 366.421 3.229 20 0 FGADHM CCC(CC)c1n[n-]c(=NC(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)s1 ZINC000530356870 503935614 /nfs/dbraw/zinc/93/56/14/503935614.db2.gz NLMFJXYPQPWPQV-HOTGVXAUSA-N -1 3 373.526 3.431 20 0 FGADHM CCOC(=O)c1ccc(NC(=O)c2cc(C)n([C@H](C)C3CC3)n2)c([O-])c1 ZINC000537505645 503936517 /nfs/dbraw/zinc/93/65/17/503936517.db2.gz XPJRVAXDGDSYEC-GFCCVEGCSA-N -1 3 357.410 3.297 20 0 FGADHM CC[C@@H](NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C(F)F ZINC000518315441 503950782 /nfs/dbraw/zinc/95/07/82/503950782.db2.gz KEAYWYMTGZFGAE-SECBINFHSA-N -1 3 359.170 3.064 20 0 FGADHM CS(=O)(=O)[N-]c1ccc(-c2noc(/C=C/c3cccc(F)c3)n2)cc1 ZINC000547004170 503953625 /nfs/dbraw/zinc/95/36/25/503953625.db2.gz GUPIWLUDEARFIG-BJMVGYQFSA-N -1 3 359.382 3.418 20 0 FGADHM Cc1ccc(-c2csc3ncnc(Sc4nnc(CO)[n-]4)c23)cc1 ZINC000530427150 503961025 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/nfs/dbraw/zinc/03/67/41/504036741.db2.gz HPACLVWIHGVUKS-UHFFFAOYSA-N -1 3 373.376 3.106 20 0 FGADHM Cc1nc(C2(NC(=O)c3cc([O-])cc(Br)c3)CCCC2)no1 ZINC000528050536 504053511 /nfs/dbraw/zinc/05/35/11/504053511.db2.gz FKMIAXRLDVRRBT-UHFFFAOYSA-N -1 3 366.215 3.045 20 0 FGADHM Cc1ncc(CNC(=O)NC[C@H](C)c2c(Cl)cccc2Cl)c(=O)[n-]1 ZINC000544246503 504059522 /nfs/dbraw/zinc/05/95/22/504059522.db2.gz MKTOUYFOSFBLGP-VIFPVBQESA-N -1 3 369.252 3.400 20 0 FGADHM CCCS(=O)(=O)Nc1cccc(NC(=O)c2cccc(CC)c2[O-])c1 ZINC000530718737 504063567 /nfs/dbraw/zinc/06/35/67/504063567.db2.gz NDQAAUVUHYQUCF-UHFFFAOYSA-N -1 3 362.451 3.359 20 0 FGADHM Cc1ncc(CNC(=O)[C@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)c(=O)[n-]1 ZINC000544262107 504064775 /nfs/dbraw/zinc/06/47/75/504064775.db2.gz ZDWAKGNMLHRRRO-KGLIPLIRSA-N -1 3 352.221 3.217 20 0 FGADHM O=c1[n-]nc(N2CCC(Cc3nc(C4CCCC4)no3)CC2)cc1Cl ZINC000528091604 504067488 /nfs/dbraw/zinc/06/74/88/504067488.db2.gz JETUVNBQXZFWRD-UHFFFAOYSA-N -1 3 363.849 3.335 20 0 FGADHM 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COC(=O)c1cc([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)ccc1C ZINC000538011826 504112837 /nfs/dbraw/zinc/11/28/37/504112837.db2.gz CZLAYSMJAFAXAE-UHFFFAOYSA-N -1 3 363.435 3.370 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]C[C@H](C)Oc2cccc(Br)c2)o1 ZINC000538016900 504115094 /nfs/dbraw/zinc/11/50/94/504115094.db2.gz XSQXELVCYWZYJI-NSHDSACASA-N -1 3 374.256 3.096 20 0 FGADHM CCOC(=O)c1[n-]c(C)nc1NC(=O)[C@H](CC)Oc1ccccc1Cl ZINC000530898255 504124089 /nfs/dbraw/zinc/12/40/89/504124089.db2.gz ASYMPFIZKRSZAR-LBPRGKRZSA-N -1 3 365.817 3.344 20 0 FGADHM CCOC(=O)c1nc(C)[n-]c1NC(=O)[C@H](CC)Oc1ccccc1Cl ZINC000530898255 504124092 /nfs/dbraw/zinc/12/40/92/504124092.db2.gz ASYMPFIZKRSZAR-LBPRGKRZSA-N -1 3 365.817 3.344 20 0 FGADHM COc1cc(=NC(=O)N[C@H](C)C(c2ccccc2)c2ccccc2)[n-]n1C ZINC000547515759 504133421 /nfs/dbraw/zinc/13/34/21/504133421.db2.gz KKSCDJHCPDKQKV-OAHLLOKOSA-N -1 3 364.449 3.193 20 0 FGADHM CCCS(=O)(=O)[N-]c1ccc(-c2nc([C@@H]3CC[C@@H](C)O3)no2)cc1 ZINC000528255042 504133903 /nfs/dbraw/zinc/13/39/03/504133903.db2.gz XHYPWABORSZWME-RISCZKNCSA-N -1 3 351.428 3.128 20 0 FGADHM COc1cc(=NC(=O)N2CCCC[C@H]2CCCc2ccccc2)[n-]n1C ZINC000547516433 504134350 /nfs/dbraw/zinc/13/43/50/504134350.db2.gz LDAAZEBTGNZDTQ-KRWDZBQOSA-N -1 3 356.470 3.260 20 0 FGADHM Cc1ncc(CNC(=O)c2cc3c(s2)-c2ccccc2CC3)c(=O)[n-]1 ZINC000541456717 504136175 /nfs/dbraw/zinc/13/61/75/504136175.db2.gz BHFQIIQDOVHQIF-UHFFFAOYSA-N -1 3 351.431 3.248 20 0 FGADHM O=C(CNC(=O)c1ccc([O-])cc1)Nc1cc(Cl)cc(C(F)(F)F)c1 ZINC000547537952 504142678 /nfs/dbraw/zinc/14/26/78/504142678.db2.gz XFYMESWVFLXAPC-UHFFFAOYSA-N -1 3 372.730 3.433 20 0 FGADHM Cc1ccc(CCCNc2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)cn1 ZINC000519164495 504155106 /nfs/dbraw/zinc/15/51/06/504155106.db2.gz LYJFDOIVVVXVBX-UHFFFAOYSA-N -1 3 363.458 3.015 20 0 FGADHM CCC[C@@H](C)[C@H](CO)NC(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000519168414 504156337 /nfs/dbraw/zinc/15/63/37/504156337.db2.gz BVJMVPIRBWXBAE-KUHUBIRLSA-N -1 3 355.434 3.150 20 0 FGADHM CC(C)Sc1ccc(CN2CCC(n3cc(C(=O)[O-])nn3)CC2)cc1 ZINC000519182938 504160727 /nfs/dbraw/zinc/16/07/27/504160727.db2.gz DIQOJOVCANMAFL-UHFFFAOYSA-N -1 3 360.483 3.314 20 0 FGADHM C[C@@H]1C(=O)CC[C@H](C(=O)N=c2cc(-c3cc(F)cc(F)c3)[n-][nH]2)C1(C)C ZINC000547715158 504196642 /nfs/dbraw/zinc/19/66/42/504196642.db2.gz XCTMNSPOAQHMKX-QMTHXVAHSA-N -1 3 361.392 3.357 20 0 FGADHM C[C@H](C(=O)N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1)c1cnn(C)c1 ZINC000531181041 504216426 /nfs/dbraw/zinc/21/64/26/504216426.db2.gz GXOFDTKRBGGWNF-VIFPVBQESA-N -1 3 364.236 3.281 20 0 FGADHM COc1ccc(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)c(C(F)(F)F)c1 ZINC000519422445 504217821 /nfs/dbraw/zinc/21/78/21/504217821.db2.gz VHFQCJYJKYGHEW-UHFFFAOYSA-N -1 3 353.300 3.339 20 0 FGADHM Cc1cc(Cl)cc(NC(=O)c2cccc(N3C(=O)CCC3=O)c2)c1[O-] ZINC000534709433 504221291 /nfs/dbraw/zinc/22/12/91/504221291.db2.gz MHXFSGZQILUOOM-UHFFFAOYSA-N -1 3 358.781 3.260 20 0 FGADHM COC(=O)c1coc(C(=O)[N-]c2ccc(C(=O)OC(C)(C)C)cc2F)c1 ZINC000544696394 504222447 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CO[C@@H](c1ccccc1F)[C@@H](C)NC(=O)c1c[n-]c2ccccc2c1=O ZINC000538464489 504254093 /nfs/dbraw/zinc/25/40/93/504254093.db2.gz AVFVHLLQHNGQRL-CWTRNNRKSA-N -1 3 354.381 3.173 20 0 FGADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]CC[C@H]2CC=CCC2)cc1Cl ZINC000528530573 504261996 /nfs/dbraw/zinc/26/19/96/504261996.db2.gz RAZNJOWGAUVNBE-LBPRGKRZSA-N -1 3 374.865 3.462 20 0 FGADHM O=C(c1cccc(C(F)(F)F)c1[O-])N1CCCN(CC2CCC2)CC1 ZINC000519615997 504274294 /nfs/dbraw/zinc/27/42/94/504274294.db2.gz OXHNJHISKBHDPT-UHFFFAOYSA-N -1 3 356.388 3.359 20 0 FGADHM Cn1cnc(S(=O)(=O)[N-][C@@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)c1 ZINC000538536923 504277911 /nfs/dbraw/zinc/27/79/11/504277911.db2.gz GNILHDDMYHPAOE-UONOGXRCSA-N -1 3 373.400 3.054 20 0 FGADHM O=C(Nc1cc(F)ccc1[O-])c1csc(I)c1 ZINC000531372915 504283188 /nfs/dbraw/zinc/28/31/88/504283188.db2.gz CLYPJJUPLHSDQG-UHFFFAOYSA-N -1 3 363.151 3.450 20 0 FGADHM CCOc1ccc(S(=O)(=O)[N-]c2cc(C(=O)OC)ccc2F)c(C)c1 ZINC000534943512 504286945 /nfs/dbraw/zinc/28/69/45/504286945.db2.gz 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CC(C)[C@H]1C[C@@H](NC(=O)CNC(=O)c2cccc([O-])c2)c2ccccc21 ZINC000548074941 504320038 /nfs/dbraw/zinc/32/00/38/504320038.db2.gz ROWIVEITKBJNIK-RTBURBONSA-N -1 3 352.434 3.123 20 0 FGADHM CC[C@@H]([N-]S(=O)(=O)c1cncc(C(=O)OC)c1)c1ccc(Cl)s1 ZINC000519739051 504321181 /nfs/dbraw/zinc/32/11/81/504321181.db2.gz FCZPGJUMQVPEIZ-LLVKDONJSA-N -1 3 374.871 3.013 20 0 FGADHM COC(=O)[C@](C)([N-]S(=O)(=O)c1c(Cl)ccc2ccccc21)C1CC1 ZINC000531480320 504323172 /nfs/dbraw/zinc/32/31/72/504323172.db2.gz FEHGXPFNTVVKEP-QGZVFWFLSA-N -1 3 367.854 3.113 20 0 FGADHM C[C@H](CCc1cccn1C)NC(=O)c1cc([O-])cc(Br)c1 ZINC000528670932 504323866 /nfs/dbraw/zinc/32/38/66/504323866.db2.gz SLMUQZZZUVKNED-LLVKDONJSA-N -1 3 351.244 3.244 20 0 FGADHM C[C@@H]1C[C@@H]1c1ccc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)nc2)o1 ZINC000542036841 504344186 /nfs/dbraw/zinc/34/41/86/504344186.db2.gz AUKWZLHWBUDPND-SKDRFNHKSA-N -1 3 360.357 3.295 20 0 FGADHM CCC(CC)(NC(=O)N=c1cc(OC)n(C)[n-]1)c1ccc(Cl)cc1 ZINC000548167744 504356289 /nfs/dbraw/zinc/35/62/89/504356289.db2.gz OLSHGNPOMRAGHI-UHFFFAOYSA-N -1 3 350.850 3.341 20 0 FGADHM COc1cc(=NC(=O)NCC2(c3ccc(Cl)cc3)CCCC2)[n-]n1C ZINC000548166614 504356306 /nfs/dbraw/zinc/35/63/06/504356306.db2.gz WTZGLOJGBKUZPW-UHFFFAOYSA-N -1 3 362.861 3.138 20 0 FGADHM C[C@H]1CCCCCN1C(=O)Cc1csc(NC(=O)c2cccc([O-])c2)n1 ZINC000548256243 504375143 /nfs/dbraw/zinc/37/51/43/504375143.db2.gz MUBZMRISKIOEDA-ZDUSSCGKSA-N -1 3 373.478 3.435 20 0 FGADHM C[C@@H]1CCCCCN1C(=O)Cc1csc(NC(=O)c2cccc([O-])c2)n1 ZINC000548256242 504375357 /nfs/dbraw/zinc/37/53/57/504375357.db2.gz MUBZMRISKIOEDA-CYBMUJFWSA-N -1 3 373.478 3.435 20 0 FGADHM CC(C)COc1ncc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1Cl ZINC000542145842 504380662 /nfs/dbraw/zinc/38/06/62/504380662.db2.gz URVADJXQRCCRSR-UHFFFAOYSA-N -1 3 372.816 3.202 20 0 FGADHM CC(C)COc1ncc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC000542145842 504380668 /nfs/dbraw/zinc/38/06/68/504380668.db2.gz URVADJXQRCCRSR-UHFFFAOYSA-N -1 3 372.816 3.202 20 0 FGADHM COc1cc(C(=O)NC[C@@H](c2cccc(F)c2)N(C)C)cc(Cl)c1[O-] ZINC000545179296 504386413 /nfs/dbraw/zinc/38/64/13/504386413.db2.gz AGZDZRSOPNBLDA-HNNXBMFYSA-N -1 3 366.820 3.226 20 0 FGADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1ccc(-c2cccs2)o1 ZINC000542172899 504392442 /nfs/dbraw/zinc/39/24/42/504392442.db2.gz MCLSCQBENFFQIK-UHFFFAOYSA-N -1 3 351.391 3.364 20 0 FGADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1ccc(-c2cccs2)o1 ZINC000542172899 504392448 /nfs/dbraw/zinc/39/24/48/504392448.db2.gz MCLSCQBENFFQIK-UHFFFAOYSA-N -1 3 351.391 3.364 20 0 FGADHM CCOC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)c1cccc(CC)c1[O-] ZINC000548316689 504396707 /nfs/dbraw/zinc/39/67/07/504396707.db2.gz CXIIYZHDANEFHF-GOSISDBHSA-N -1 3 355.434 3.201 20 0 FGADHM C[C@@H]1CCN(C(=O)c2cc([O-])cc(Br)c2)C[C@@H]1n1ccnc1 ZINC000528824801 504400944 /nfs/dbraw/zinc/40/09/44/504400944.db2.gz GKJDZOSLJYIKTM-ABAIWWIYSA-N -1 3 364.243 3.075 20 0 FGADHM COc1ccc(C[C@@H](C)C[N-]S(=O)(=O)c2ccc(F)cc2F)cc1 ZINC000535361937 504411768 /nfs/dbraw/zinc/41/17/68/504411768.db2.gz LNJBZHBXCGKPIX-GFCCVEGCSA-N -1 3 355.406 3.131 20 0 FGADHM C[C@H](C[C@H](O)c1cccs1)NC(=O)c1cc([O-])cc(Br)c1 ZINC000528887402 504434726 /nfs/dbraw/zinc/43/47/26/504434726.db2.gz YDNOKIBBOFHNOV-RNCFNFMXSA-N -1 3 370.268 3.458 20 0 FGADHM CCc1ccccc1O[C@H](C(=O)N=c1cc(OC)n(C)[n-]1)c1ccccc1 ZINC000548470725 504457469 /nfs/dbraw/zinc/45/74/69/504457469.db2.gz NQSJSISUBNHYJX-FQEVSTJZSA-N -1 3 365.433 3.172 20 0 FGADHM COc1cc(=NC(=O)[C@@H]2CC=CC[C@H]2c2nc3ccccc3s2)[n-]n1C ZINC000548471127 504457554 /nfs/dbraw/zinc/45/75/54/504457554.db2.gz FKCBUWQETLKZNY-CHWSQXEVSA-N -1 3 368.462 3.149 20 0 FGADHM CCc1cnccc1[C@@H](C)[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000545366673 504462214 /nfs/dbraw/zinc/46/22/14/504462214.db2.gz XMBMMGWGMYZWKY-SECBINFHSA-N -1 3 359.245 3.039 20 0 FGADHM Cc1cc(C)c2[n-]cc(C(=O)Nc3nncn3Cc3ccccc3)c(=O)c2c1 ZINC000548514099 504474063 /nfs/dbraw/zinc/47/40/63/504474063.db2.gz FCTWEYCWSQYJJN-UHFFFAOYSA-N -1 3 373.416 3.037 20 0 FGADHM Cn1cc(Br)c(=NC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2Cl)[n-]1 ZINC000520409433 504492692 /nfs/dbraw/zinc/49/26/92/504492692.db2.gz KCQSCBZOVZODEA-JGVFFNPUSA-N -1 3 372.625 3.139 20 0 FGADHM Cc1ccc(I)c(C(=O)Nc2nc(C)ccc2[O-])c1 ZINC000542444472 504492395 /nfs/dbraw/zinc/49/23/95/504492395.db2.gz IYVJTVCKWMBEDQ-UHFFFAOYSA-N -1 3 368.174 3.261 20 0 FGADHM Cc1ccc([O-])c(NC(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)n1 ZINC000542461773 504498872 /nfs/dbraw/zinc/49/88/72/504498872.db2.gz MBIVDFITJJHJQW-UHFFFAOYSA-N -1 3 364.283 3.417 20 0 FGADHM CCc1noc(CC)c1C[N-]S(=O)(=O)c1cccc2c(C)ccnc21 ZINC000548621400 504499295 /nfs/dbraw/zinc/49/92/95/504499295.db2.gz ACTMVTXMVSCXFL-UHFFFAOYSA-N -1 3 359.451 3.135 20 0 FGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H](C)c1c(C)cccc1C ZINC000545478078 504501696 /nfs/dbraw/zinc/50/16/96/504501696.db2.gz XCRXQMKQAKBXPG-CYBMUJFWSA-N -1 3 365.426 3.269 20 0 FGADHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)c1ccncc1 ZINC000520500157 504513180 /nfs/dbraw/zinc/51/31/80/504513180.db2.gz 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356.332 3.012 20 0 FGADHM C[C@@H](c1ccc(F)cc1)S(=O)(=O)Cc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000535997985 504601692 /nfs/dbraw/zinc/60/16/92/504601692.db2.gz FOMFRGBAAYKZLW-QMMMGPOBSA-N -1 3 364.320 3.016 20 0 FGADHM CC1(CNC(=O)N2CCN(C(=O)c3cccc([O-])c3)CC2)CCCCCC1 ZINC000539589201 504617892 /nfs/dbraw/zinc/61/78/92/504617892.db2.gz UVCPQBBXTUCBGY-UHFFFAOYSA-N -1 3 373.497 3.220 20 0 FGADHM Cc1nc(-c2ccc(NC(=O)NCc3nccn3C(F)F)cc2)cc(=O)[n-]1 ZINC000520983778 504622647 /nfs/dbraw/zinc/62/26/47/504622647.db2.gz FRVDNIPZOKDEGJ-UHFFFAOYSA-N -1 3 374.351 3.071 20 0 FGADHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1cccc(F)c1Sc1ccccc1 ZINC000542826143 504628056 /nfs/dbraw/zinc/62/80/56/504628056.db2.gz OEFRCYCDURMZIK-CQSZACIVSA-N -1 3 371.437 3.219 20 0 FGADHM Cc1ccc([O-])c(CN[C@H](CCO)c2ccccc2Br)n1 ZINC000542837762 504630225 /nfs/dbraw/zinc/63/02/25/504630225.db2.gz WQSBRIKILGQASN-CQSZACIVSA-N -1 3 351.244 3.071 20 0 FGADHM Cc1cccc(S(=O)(=O)[N-][C@@H]2CCCOc3c(F)cccc32)c1F ZINC000542845127 504632505 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Cc1[n-][nH]c(=NC(=O)c2cn(Cc3cccs3)nn2)c1-c1ccccc1 ZINC000608359300 519948206 /nfs/dbraw/zinc/94/82/06/519948206.db2.gz COMIQGUFKWYMSF-UHFFFAOYSA-N -1 3 364.434 3.339 20 0 FGADHM CCC[C@@H](C)c1cc(=NC(=O)CCNC(=O)c2ccc(C)cc2[O-])[nH][nH]1 ZINC000608441885 519981714 /nfs/dbraw/zinc/98/17/14/519981714.db2.gz YBSMUEUHQLRLJO-CYBMUJFWSA-N -1 3 358.442 3.086 20 0 FGADHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)C1(c2cccc(F)c2)CCOCC1 ZINC000616826160 520164720 /nfs/dbraw/zinc/16/47/20/520164720.db2.gz IPSYNFZIGYSQGM-MRXNPFEDSA-N -1 3 359.401 3.087 20 0 FGADHM Cc1ccccc1-c1cc(=NC(=O)CN2C(=O)CCc3ccccc32)[nH][n-]1 ZINC000600980947 520571136 /nfs/dbraw/zinc/57/11/36/520571136.db2.gz OQEWBEKAIWJVGX-UHFFFAOYSA-N -1 3 360.417 3.303 20 0 FGADHM Cc1cc(NC2CCN(C(=O)c3ccccc3[O-])CC2)nc(C2CC2)n1 ZINC000604756863 520661877 /nfs/dbraw/zinc/66/18/77/520661877.db2.gz LFGBNMGMXIXCBW-UHFFFAOYSA-N -1 3 352.438 3.085 20 0 FGADHM CC(C)c1nn(C)c2sc(C(=O)N=c3ccc4c([n-]3)OCCO4)cc12 ZINC000618080356 520871257 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Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1Cc1ccc(Cl)cc1 ZINC000737521959 598828007 /nfs/dbraw/zinc/82/80/07/598828007.db2.gz DEJWMTXMLJQNOS-UHFFFAOYSA-N -1 3 351.801 3.135 20 0 FGADHM CCCCSCCC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000736462540 598829523 /nfs/dbraw/zinc/82/95/23/598829523.db2.gz HDQWCOXTMNZVPI-UHFFFAOYSA-N -1 3 359.499 3.281 20 0 FGADHM CCCCSCCC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000736462540 598829525 /nfs/dbraw/zinc/82/95/25/598829525.db2.gz HDQWCOXTMNZVPI-UHFFFAOYSA-N -1 3 359.499 3.281 20 0 FGADHM CC(C)[C@@H](C)CNC(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000735699597 598836651 /nfs/dbraw/zinc/83/66/51/598836651.db2.gz AQVRGZKVXXSCHH-ZDUSSCGKSA-N -1 3 369.425 3.061 20 0 FGADHM CC(C)[C@@H](C)CNC(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000735699597 598836652 /nfs/dbraw/zinc/83/66/52/598836652.db2.gz AQVRGZKVXXSCHH-ZDUSSCGKSA-N -1 3 369.425 3.061 20 0 FGADHM FC(F)(F)c1cccc(-n2cc(Nc3ccc(-c4nnn[n-]4)cn3)cn2)c1 ZINC000737635507 598870316 /nfs/dbraw/zinc/87/03/16/598870316.db2.gz IKGHUEZVRMUVHS-UHFFFAOYSA-N -1 3 372.314 3.210 20 0 FGADHM FC(F)(F)c1cccc(-n2cc(Nc3ccc(-c4nn[n-]n4)cn3)cn2)c1 ZINC000737635507 598870317 /nfs/dbraw/zinc/87/03/17/598870317.db2.gz IKGHUEZVRMUVHS-UHFFFAOYSA-N -1 3 372.314 3.210 20 0 FGADHM C[C@@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)c1ccccc1Cl ZINC000736037358 598889037 /nfs/dbraw/zinc/88/90/37/598889037.db2.gz GEOOBTRPSDEQTB-NSHDSACASA-N -1 3 358.785 3.144 20 0 FGADHM C[C@@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)c1ccccc1Cl ZINC000736037358 598889039 /nfs/dbraw/zinc/88/90/39/598889039.db2.gz GEOOBTRPSDEQTB-NSHDSACASA-N -1 3 358.785 3.144 20 0 FGADHM CCc1noc(CSc2nc(-c3ccccc3)ccc2-c2nnn[n-]2)n1 ZINC000736713609 598902080 /nfs/dbraw/zinc/90/20/80/598902080.db2.gz RAPJNGUXBFUCSF-UHFFFAOYSA-N -1 3 365.422 3.166 20 0 FGADHM CCc1noc(CSc2nc(-c3ccccc3)ccc2-c2nn[n-]n2)n1 ZINC000736713609 598902082 /nfs/dbraw/zinc/90/20/82/598902082.db2.gz RAPJNGUXBFUCSF-UHFFFAOYSA-N -1 3 365.422 3.166 20 0 FGADHM C[C@@H]1CC(NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)C[C@@H](C)C1 ZINC000736222610 598907886 /nfs/dbraw/zinc/90/78/86/598907886.db2.gz FDJIRMJVQPPWAM-KBPBESRZSA-N -1 3 368.485 3.365 20 0 FGADHM C[C@@H]1CC(NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)C[C@@H](C)C1 ZINC000736222610 598907887 /nfs/dbraw/zinc/90/78/87/598907887.db2.gz FDJIRMJVQPPWAM-KBPBESRZSA-N -1 3 368.485 3.365 20 0 FGADHM CSCCCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000737181057 599370032 /nfs/dbraw/zinc/37/00/32/599370032.db2.gz JXEWPJQHDHVNSD-UHFFFAOYSA-N -1 3 351.501 3.279 20 0 FGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000738177801 598913429 /nfs/dbraw/zinc/91/34/29/598913429.db2.gz FDUVJXYJZQOXJK-BXUZGUMPSA-N -1 3 372.791 3.337 20 0 FGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000738177801 598913430 /nfs/dbraw/zinc/91/34/30/598913430.db2.gz FDUVJXYJZQOXJK-BXUZGUMPSA-N -1 3 372.791 3.337 20 0 FGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N1CCC[C@]2(CC=CCC2)C1 ZINC000737941496 598913882 /nfs/dbraw/zinc/91/38/82/598913882.db2.gz DAUGNOZPBDQSQQ-LJQANCHMSA-N -1 3 369.494 3.308 20 0 FGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N1CCC[C@]2(CC=CCC2)C1 ZINC000737941496 598913884 /nfs/dbraw/zinc/91/38/84/598913884.db2.gz DAUGNOZPBDQSQQ-LJQANCHMSA-N -1 3 369.494 3.308 20 0 FGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCCCC[C@@H]1C ZINC000735904799 598922436 /nfs/dbraw/zinc/92/24/36/598922436.db2.gz BOIMXTDLQPWTAT-ZDUSSCGKSA-N -1 3 358.446 3.450 20 0 FGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCCCC[C@@H]1C ZINC000735904799 598922438 /nfs/dbraw/zinc/92/24/38/598922438.db2.gz BOIMXTDLQPWTAT-ZDUSSCGKSA-N -1 3 358.446 3.450 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@]2(CC=CCC2)C1 ZINC000737063130 598923753 /nfs/dbraw/zinc/92/37/53/598923753.db2.gz NRYWMVFETVZBBP-LJQANCHMSA-N -1 3 368.441 3.230 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@]2(CC=CCC2)C1 ZINC000737063130 598923754 /nfs/dbraw/zinc/92/37/54/598923754.db2.gz NRYWMVFETVZBBP-LJQANCHMSA-N -1 3 368.441 3.230 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OCCSC1=Nc2ccccc2C1 ZINC000737032950 598940159 /nfs/dbraw/zinc/94/01/59/598940159.db2.gz QJXUHVCDCWMBOA-UHFFFAOYSA-N -1 3 367.434 3.274 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OCCSC1=Nc2ccccc2C1 ZINC000737032950 598940161 /nfs/dbraw/zinc/94/01/61/598940161.db2.gz QJXUHVCDCWMBOA-UHFFFAOYSA-N -1 3 367.434 3.274 20 0 FGADHM Cc1ccc(C(C)C)c(OS(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)c1 ZINC000737317009 598947834 /nfs/dbraw/zinc/94/78/34/598947834.db2.gz JDRGJLDBLHOXIL-UHFFFAOYSA-N -1 3 372.450 3.375 20 0 FGADHM Cc1ccc(C(C)C)c(OS(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)c1 ZINC000737317009 598947836 /nfs/dbraw/zinc/94/78/36/598947836.db2.gz JDRGJLDBLHOXIL-UHFFFAOYSA-N -1 3 372.450 3.375 20 0 FGADHM OCCC[C@@H](Nc1cc(-c2nnn[n-]2)c2ccccc2n1)c1ccccc1 ZINC000738394997 598978528 /nfs/dbraw/zinc/97/85/28/598978528.db2.gz UDEAFGWFKJLAKS-QGZVFWFLSA-N -1 3 360.421 3.341 20 0 FGADHM OCCC[C@@H](Nc1cc(-c2nn[n-]n2)c2ccccc2n1)c1ccccc1 ZINC000738394997 598978530 /nfs/dbraw/zinc/97/85/30/598978530.db2.gz UDEAFGWFKJLAKS-QGZVFWFLSA-N -1 3 360.421 3.341 20 0 FGADHM CCc1nc(C)c([C@H](C)OC(=O)CCc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000736697696 599029431 /nfs/dbraw/zinc/02/94/31/599029431.db2.gz ANEBZDACEFBURW-LBPRGKRZSA-N -1 3 371.466 3.431 20 0 FGADHM CCc1nc(C)c([C@H](C)OC(=O)CCc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000736697696 599029433 /nfs/dbraw/zinc/02/94/33/599029433.db2.gz ANEBZDACEFBURW-LBPRGKRZSA-N -1 3 371.466 3.431 20 0 FGADHM CCc1nc(C)c([C@@H](C)OC(=O)CCc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000736697692 599029745 /nfs/dbraw/zinc/02/97/45/599029745.db2.gz ANEBZDACEFBURW-GFCCVEGCSA-N -1 3 371.466 3.431 20 0 FGADHM CCc1nc(C)c([C@@H](C)OC(=O)CCc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000736697692 599029746 /nfs/dbraw/zinc/02/97/46/599029746.db2.gz ANEBZDACEFBURW-GFCCVEGCSA-N -1 3 371.466 3.431 20 0 FGADHM Cc1ccccc1[C@@H]1CN(c2cc(-c3nnn[n-]3)c3ccccc3n2)CCO1 ZINC000822351978 599036783 /nfs/dbraw/zinc/03/67/83/599036783.db2.gz SQHNJNNBILLLRM-IBGZPJMESA-N -1 3 372.432 3.301 20 0 FGADHM Cc1ccccc1[C@@H]1CN(c2cc(-c3nn[n-]n3)c3ccccc3n2)CCO1 ZINC000822351978 599036786 /nfs/dbraw/zinc/03/67/86/599036786.db2.gz SQHNJNNBILLLRM-IBGZPJMESA-N -1 3 372.432 3.301 20 0 FGADHM C[C@@]1(c2ccccc2)C[C@@H]1Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000820633678 599037489 /nfs/dbraw/zinc/03/74/89/599037489.db2.gz CSXMSXOFWZYSJB-BBRMVZONSA-N -1 3 360.343 3.423 20 0 FGADHM C[C@@]1(c2ccccc2)C[C@@H]1Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000820633678 599037492 /nfs/dbraw/zinc/03/74/92/599037492.db2.gz CSXMSXOFWZYSJB-BBRMVZONSA-N -1 3 360.343 3.423 20 0 FGADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(NCCCOC2CCCCC2)n1 ZINC000737635010 599040096 /nfs/dbraw/zinc/04/00/96/599040096.db2.gz CSKFAAAGKHMOIZ-UHFFFAOYSA-N -1 3 370.379 3.432 20 0 FGADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(NCCCOC2CCCCC2)n1 ZINC000737635010 599040098 /nfs/dbraw/zinc/04/00/98/599040098.db2.gz CSKFAAAGKHMOIZ-UHFFFAOYSA-N -1 3 370.379 3.432 20 0 FGADHM Cc1ccc(OCCNc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)cc1 ZINC000737366491 599040565 /nfs/dbraw/zinc/04/05/65/599040565.db2.gz RGEJHWYFHUYLNC-UHFFFAOYSA-N -1 3 364.331 3.080 20 0 FGADHM Cc1ccc(OCCNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)cc1 ZINC000737366491 599040568 /nfs/dbraw/zinc/04/05/68/599040568.db2.gz RGEJHWYFHUYLNC-UHFFFAOYSA-N -1 3 364.331 3.080 20 0 FGADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(N2CCC[C@@H]2Cc2ccccc2)n1 ZINC000737632011 599042203 /nfs/dbraw/zinc/04/22/03/599042203.db2.gz HUZUERAKCCNWBF-CYBMUJFWSA-N -1 3 374.370 3.492 20 0 FGADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(N2CCC[C@@H]2Cc2ccccc2)n1 ZINC000737632011 599042205 /nfs/dbraw/zinc/04/22/05/599042205.db2.gz HUZUERAKCCNWBF-CYBMUJFWSA-N -1 3 374.370 3.492 20 0 FGADHM CC1(C)[C@H](Nc2cc(-c3nnn[n-]3)c3ccccc3n2)[C@H]2CCCO[C@H]21 ZINC000820585438 599043015 /nfs/dbraw/zinc/04/30/15/599043015.db2.gz NGCXLDQWMLFPHO-CSMYWGQOSA-N -1 3 350.426 3.030 20 0 FGADHM CC1(C)[C@H](Nc2cc(-c3nn[n-]n3)c3ccccc3n2)[C@H]2CCCO[C@H]21 ZINC000820585438 599043018 /nfs/dbraw/zinc/04/30/18/599043018.db2.gz NGCXLDQWMLFPHO-CSMYWGQOSA-N -1 3 350.426 3.030 20 0 FGADHM Cc1cc(CNc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)cc(C)c1O ZINC000737265385 599047228 /nfs/dbraw/zinc/04/72/28/599047228.db2.gz VALHDSJQKPXVDE-UHFFFAOYSA-N -1 3 364.331 3.215 20 0 FGADHM Cc1cc(CNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)cc(C)c1O ZINC000737265385 599047230 /nfs/dbraw/zinc/04/72/30/599047230.db2.gz VALHDSJQKPXVDE-UHFFFAOYSA-N -1 3 364.331 3.215 20 0 FGADHM CSC1(CNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CCOCC1 ZINC000821950532 599053233 /nfs/dbraw/zinc/05/32/33/599053233.db2.gz OLERRZYRJASKPF-UHFFFAOYSA-N -1 3 373.404 3.210 20 0 FGADHM CSC1(CNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CCOCC1 ZINC000821950532 599053236 /nfs/dbraw/zinc/05/32/36/599053236.db2.gz OLERRZYRJASKPF-UHFFFAOYSA-N -1 3 373.404 3.210 20 0 FGADHM Cc1cccc(O[C@H](C)CNc2c(-c3nnn[n-]3)cnc3ccccc32)c1 ZINC000822329103 599057948 /nfs/dbraw/zinc/05/79/48/599057948.db2.gz YATDNPWEWASVRB-CQSZACIVSA-N -1 3 360.421 3.025 20 0 FGADHM Cc1cccc(O[C@H](C)CNc2c(-c3nn[n-]n3)cnc3ccccc32)c1 ZINC000822329103 599057951 /nfs/dbraw/zinc/05/79/51/599057951.db2.gz YATDNPWEWASVRB-CQSZACIVSA-N -1 3 360.421 3.025 20 0 FGADHM Fc1cc(-c2nnn[n-]2)cc(F)c1N[C@H]1CCCN(c2ccccc2)C1 ZINC000737639669 599059198 /nfs/dbraw/zinc/05/91/98/599059198.db2.gz RAYHKALMHWZHJM-ZDUSSCGKSA-N -1 3 356.380 3.226 20 0 FGADHM Fc1cc(-c2nn[n-]n2)cc(F)c1N[C@H]1CCCN(c2ccccc2)C1 ZINC000737639669 599059202 /nfs/dbraw/zinc/05/92/02/599059202.db2.gz RAYHKALMHWZHJM-ZDUSSCGKSA-N -1 3 356.380 3.226 20 0 FGADHM CCCCC[C@H](C)NC(=O)CSc1ccc(-c2nnn[n-]2)cc1F ZINC000736440165 599064930 /nfs/dbraw/zinc/06/49/30/599064930.db2.gz ALKBSQQFLSKXOX-NSHDSACASA-N -1 3 351.451 3.183 20 0 FGADHM CCCCC[C@H](C)NC(=O)CSc1ccc(-c2nn[n-]n2)cc1F ZINC000736440165 599064933 /nfs/dbraw/zinc/06/49/33/599064933.db2.gz ALKBSQQFLSKXOX-NSHDSACASA-N -1 3 351.451 3.183 20 0 FGADHM COc1ccc(O[C@H](C)CNc2c(F)cc(-c3nnn[n-]3)cc2F)cc1 ZINC000821839435 599075655 /nfs/dbraw/zinc/07/56/55/599075655.db2.gz VCZLJBLVYLMBEU-SNVBAGLBSA-N -1 3 361.352 3.033 20 0 FGADHM COc1ccc(O[C@H](C)CNc2c(F)cc(-c3nn[n-]n3)cc2F)cc1 ZINC000821839435 599075657 /nfs/dbraw/zinc/07/56/57/599075657.db2.gz VCZLJBLVYLMBEU-SNVBAGLBSA-N -1 3 361.352 3.033 20 0 FGADHM Cc1cccc([C@H](C)NC(=O)NCc2ccc(-c3nnn[n-]3)cc2)c1C ZINC000737387427 599105032 /nfs/dbraw/zinc/10/50/32/599105032.db2.gz IBTWPSPINMWSOC-AWEZNQCLSA-N -1 3 350.426 3.044 20 0 FGADHM Cc1cccc([C@H](C)NC(=O)NCc2ccc(-c3nn[n-]n3)cc2)c1C ZINC000737387427 599105035 /nfs/dbraw/zinc/10/50/35/599105035.db2.gz IBTWPSPINMWSOC-AWEZNQCLSA-N -1 3 350.426 3.044 20 0 FGADHM CC[C@@H](Sc1ccccc1-c1nnn[n-]1)C(=O)NCc1ccccc1 ZINC000736393390 599110115 /nfs/dbraw/zinc/11/01/15/599110115.db2.gz XVZCCYPIVXRCSX-OAHLLOKOSA-N -1 3 353.451 3.054 20 0 FGADHM CC[C@@H](Sc1ccccc1-c1nn[n-]n1)C(=O)NCc1ccccc1 ZINC000736393390 599110117 /nfs/dbraw/zinc/11/01/17/599110117.db2.gz XVZCCYPIVXRCSX-OAHLLOKOSA-N -1 3 353.451 3.054 20 0 FGADHM O[C@@H](C[C@H]1CCCN1c1c(F)cc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000823674929 599109940 /nfs/dbraw/zinc/10/99/40/599109940.db2.gz UFBJTRBLOLCXSL-PBHICJAKSA-N -1 3 371.391 3.237 20 0 FGADHM O[C@@H](C[C@H]1CCCN1c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000823674929 599109943 /nfs/dbraw/zinc/10/99/43/599109943.db2.gz UFBJTRBLOLCXSL-PBHICJAKSA-N -1 3 371.391 3.237 20 0 FGADHM O=C(CSc1ccccc1-c1nnn[n-]1)Nc1ccc(F)cc1Cl ZINC000737947003 599111055 /nfs/dbraw/zinc/11/10/55/599111055.db2.gz JUBBIZHOWQXAPX-UHFFFAOYSA-N -1 3 363.805 3.390 20 0 FGADHM O=C(CSc1ccccc1-c1nn[n-]n1)Nc1ccc(F)cc1Cl ZINC000737947003 599111057 /nfs/dbraw/zinc/11/10/57/599111057.db2.gz JUBBIZHOWQXAPX-UHFFFAOYSA-N -1 3 363.805 3.390 20 0 FGADHM O=C(NC1CC1)[C@@H](Sc1ccccc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000738018613 599111993 /nfs/dbraw/zinc/11/19/93/599111993.db2.gz BWWXPGFIOQSCQV-INIZCTEOSA-N -1 3 369.425 3.118 20 0 FGADHM O=C(NC1CC1)[C@@H](Sc1ccccc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000738018613 599111996 /nfs/dbraw/zinc/11/19/96/599111996.db2.gz BWWXPGFIOQSCQV-INIZCTEOSA-N -1 3 369.425 3.118 20 0 FGADHM COCCN(C(=O)[C@H]1[C@H](C=C(C)C)C1(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736988808 599116286 /nfs/dbraw/zinc/11/62/86/599116286.db2.gz OSBXYNLOVRRVLI-DLBZAZTESA-N -1 3 369.469 3.085 20 0 FGADHM COCCN(C(=O)[C@H]1[C@H](C=C(C)C)C1(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736988808 599116289 /nfs/dbraw/zinc/11/62/89/599116289.db2.gz OSBXYNLOVRRVLI-DLBZAZTESA-N -1 3 369.469 3.085 20 0 FGADHM COc1ccccc1[C@H](C)SCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000821882547 599128266 /nfs/dbraw/zinc/12/82/66/599128266.db2.gz DJKRRKUEJZZQHN-LBPRGKRZSA-N -1 3 369.450 3.308 20 0 FGADHM COc1ccccc1[C@H](C)SCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000821882547 599128267 /nfs/dbraw/zinc/12/82/67/599128267.db2.gz DJKRRKUEJZZQHN-LBPRGKRZSA-N -1 3 369.450 3.308 20 0 FGADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H](C)C(F)(F)F ZINC000820087745 599146102 /nfs/dbraw/zinc/14/61/02/599146102.db2.gz YSXLDBQLZRFUIH-NSHDSACASA-N -1 3 355.364 3.050 20 0 FGADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H](C)C(F)(F)F ZINC000820087745 599146104 /nfs/dbraw/zinc/14/61/04/599146104.db2.gz YSXLDBQLZRFUIH-NSHDSACASA-N -1 3 355.364 3.050 20 0 FGADHM CC(C)c1ccc(C(=O)[C@@H](C)OC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736160900 599150440 /nfs/dbraw/zinc/15/04/40/599150440.db2.gz ABIXRJSBUZTDEK-CYBMUJFWSA-N -1 3 364.405 3.418 20 0 FGADHM CC(C)c1ccc(C(=O)[C@@H](C)OC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736160900 599150444 /nfs/dbraw/zinc/15/04/44/599150444.db2.gz ABIXRJSBUZTDEK-CYBMUJFWSA-N -1 3 364.405 3.418 20 0 FGADHM Cc1cc(C)c(-c2nnn[n-]2)c(SCCc2ccc3c(c2)CCO3)n1 ZINC000737240470 599157515 /nfs/dbraw/zinc/15/75/15/599157515.db2.gz LBWHPRYEWOCELX-UHFFFAOYSA-N -1 3 353.451 3.148 20 0 FGADHM Cc1cc(C)c(-c2nn[n-]n2)c(SCCc2ccc3c(c2)CCO3)n1 ZINC000737240470 599157516 /nfs/dbraw/zinc/15/75/16/599157516.db2.gz LBWHPRYEWOCELX-UHFFFAOYSA-N -1 3 353.451 3.148 20 0 FGADHM C[C@H](NC(=O)[C@H]1C[C@H]1c1c(F)cccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000736100653 599160535 /nfs/dbraw/zinc/16/05/35/599160535.db2.gz MYMPLEOJXUAPBL-GDLCADMTSA-N -1 3 369.375 3.126 20 0 FGADHM C[C@H](NC(=O)[C@H]1C[C@H]1c1c(F)cccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000736100653 599160538 /nfs/dbraw/zinc/16/05/38/599160538.db2.gz MYMPLEOJXUAPBL-GDLCADMTSA-N -1 3 369.375 3.126 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000737290226 599161029 /nfs/dbraw/zinc/16/10/29/599161029.db2.gz DIIFNPSQPKHKKL-NWDGAFQWSA-N -1 3 355.348 3.196 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000737290226 599161032 /nfs/dbraw/zinc/16/10/32/599161032.db2.gz DIIFNPSQPKHKKL-NWDGAFQWSA-N -1 3 355.348 3.196 20 0 FGADHM CC[C@@H](Cc1ccc(Cl)cc1)Nc1nnc(C)c(C)c1-c1nnn[n-]1 ZINC000736354517 599173138 /nfs/dbraw/zinc/17/31/38/599173138.db2.gz UHBUXWXMARSHNC-AWEZNQCLSA-N -1 3 357.849 3.360 20 0 FGADHM CC[C@@H](Cc1ccc(Cl)cc1)Nc1nnc(C)c(C)c1-c1nn[n-]n1 ZINC000736354517 599173140 /nfs/dbraw/zinc/17/31/40/599173140.db2.gz UHBUXWXMARSHNC-AWEZNQCLSA-N -1 3 357.849 3.360 20 0 FGADHM C[C@@H](NC(=O)[C@H]1CCSc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000736102732 599182405 /nfs/dbraw/zinc/18/24/05/599182405.db2.gz UNEPGMBSNAUXIU-WBMJQRKESA-N -1 3 365.462 3.324 20 0 FGADHM C[C@@H](NC(=O)[C@H]1CCSc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000736102732 599182407 /nfs/dbraw/zinc/18/24/07/599182407.db2.gz UNEPGMBSNAUXIU-WBMJQRKESA-N -1 3 365.462 3.324 20 0 FGADHM Cc1ccc(-c2ocnc2C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)cc1 ZINC000737303108 599187766 /nfs/dbraw/zinc/18/77/66/599187766.db2.gz IMEYDQFYIVQQSU-UHFFFAOYSA-N -1 3 360.377 3.391 20 0 FGADHM Cc1ccc(-c2ocnc2C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)cc1 ZINC000737303108 599187767 /nfs/dbraw/zinc/18/77/67/599187767.db2.gz IMEYDQFYIVQQSU-UHFFFAOYSA-N -1 3 360.377 3.391 20 0 FGADHM C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820667011 599190481 /nfs/dbraw/zinc/19/04/81/599190481.db2.gz KOKUTWDXDGSSKC-PXAZEXFGSA-N -1 3 351.385 3.229 20 0 FGADHM C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820667011 599190483 /nfs/dbraw/zinc/19/04/83/599190483.db2.gz KOKUTWDXDGSSKC-PXAZEXFGSA-N -1 3 351.385 3.229 20 0 FGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)N1CCCC[C@H]1c1ccco1 ZINC000738099553 599191992 /nfs/dbraw/zinc/19/19/92/599191992.db2.gz FWNOKGGMSMKVFU-HNNXBMFYSA-N -1 3 370.388 3.036 20 0 FGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)N1CCCC[C@H]1c1ccco1 ZINC000738099553 599191994 /nfs/dbraw/zinc/19/19/94/599191994.db2.gz FWNOKGGMSMKVFU-HNNXBMFYSA-N -1 3 370.388 3.036 20 0 FGADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCC(C2CCCC2)CC1 ZINC000820519102 599192565 /nfs/dbraw/zinc/19/25/65/599192565.db2.gz PHNWCCHKFAIYIF-AWEZNQCLSA-N -1 3 369.469 3.063 20 0 FGADHM O=C(NC1CC1)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000738020284 599198302 /nfs/dbraw/zinc/19/83/02/599198302.db2.gz MYIWTQVMJVMOPV-UHFFFAOYSA-N -1 3 355.785 3.205 20 0 FGADHM C[C@@H]1C[C@H]1NC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000736235063 599199303 /nfs/dbraw/zinc/19/93/03/599199303.db2.gz CZVRUFBBCNYNDR-MEBBXXQBSA-N -1 3 369.812 3.451 20 0 FGADHM C[C@@H]1C[C@H]1NC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000736235063 599199305 /nfs/dbraw/zinc/19/93/05/599199305.db2.gz CZVRUFBBCNYNDR-MEBBXXQBSA-N -1 3 369.812 3.451 20 0 FGADHM Cc1ccc2[nH]c(C(=O)N[C@H](C)c3ccc(-c4nnn[n-]4)cc3)cc2c1C ZINC000737372325 599200635 /nfs/dbraw/zinc/20/06/35/599200635.db2.gz DJIAQXLLOFSBKO-CYBMUJFWSA-N -1 3 360.421 3.456 20 0 FGADHM Cc1ccc2[nH]c(C(=O)N[C@H](C)c3ccc(-c4nn[n-]n4)cc3)cc2c1C ZINC000737372325 599200637 /nfs/dbraw/zinc/20/06/37/599200637.db2.gz DJIAQXLLOFSBKO-CYBMUJFWSA-N -1 3 360.421 3.456 20 0 FGADHM CC[C@@]1(C)CCCN(C(=O)[C@@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)C1 ZINC000820950518 599202081 /nfs/dbraw/zinc/20/20/81/599202081.db2.gz OTKULAYCKPPWLH-PXNSSMCTSA-N -1 3 371.485 3.309 20 0 FGADHM CC[C@@]1(C)CCCN(C(=O)[C@@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)C1 ZINC000820950518 599202083 /nfs/dbraw/zinc/20/20/83/599202083.db2.gz OTKULAYCKPPWLH-PXNSSMCTSA-N -1 3 371.485 3.309 20 0 FGADHM CC(C)[C@@H](Cc1ccc(F)cc1)N(C)C(=O)c1sccc1-c1nnn[n-]1 ZINC000820021166 599210979 /nfs/dbraw/zinc/21/09/79/599210979.db2.gz QDEUOYJHBABRED-OAHLLOKOSA-N -1 3 373.457 3.407 20 0 FGADHM CC(C)[C@@H](Cc1ccc(F)cc1)N(C)C(=O)c1sccc1-c1nn[n-]n1 ZINC000820021166 599210981 /nfs/dbraw/zinc/21/09/81/599210981.db2.gz QDEUOYJHBABRED-OAHLLOKOSA-N -1 3 373.457 3.407 20 0 FGADHM O=C(Nc1ccc(F)c(Br)c1)c1sccc1-c1nnn[n-]1 ZINC000823338004 599211001 /nfs/dbraw/zinc/21/10/01/599211001.db2.gz VTFCQAZYGNUAOC-UHFFFAOYSA-N -1 3 368.191 3.082 20 0 FGADHM O=C(Nc1ccc(F)c(Br)c1)c1sccc1-c1nn[n-]n1 ZINC000823338004 599211004 /nfs/dbraw/zinc/21/10/04/599211004.db2.gz VTFCQAZYGNUAOC-UHFFFAOYSA-N -1 3 368.191 3.082 20 0 FGADHM CC[C@H](C)N(Cc1ccccc1)C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000736328317 599218143 /nfs/dbraw/zinc/21/81/43/599218143.db2.gz WEPXYFPKROXHKJ-HNNXBMFYSA-N -1 3 364.453 3.377 20 0 FGADHM CC[C@H](C)N(Cc1ccccc1)C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000736328317 599218145 /nfs/dbraw/zinc/21/81/45/599218145.db2.gz WEPXYFPKROXHKJ-HNNXBMFYSA-N -1 3 364.453 3.377 20 0 FGADHM O=C(Nc1ccc(Br)c(F)c1)c1sccc1-c1nnn[n-]1 ZINC000738149204 599225356 /nfs/dbraw/zinc/22/53/56/599225356.db2.gz BQBKLPDLSADUTH-UHFFFAOYSA-N -1 3 368.191 3.082 20 0 FGADHM O=C(Nc1ccc(Br)c(F)c1)c1sccc1-c1nn[n-]n1 ZINC000738149204 599225357 /nfs/dbraw/zinc/22/53/57/599225357.db2.gz BQBKLPDLSADUTH-UHFFFAOYSA-N -1 3 368.191 3.082 20 0 FGADHM Fc1ccc(-c2nnn[n-]2)cc1CNC(=S)Nc1ccc(Cl)cc1 ZINC000822761658 599229337 /nfs/dbraw/zinc/22/93/37/599229337.db2.gz QOAYYRUMHDKKKA-UHFFFAOYSA-N -1 3 362.821 3.146 20 0 FGADHM Fc1ccc(-c2nn[n-]n2)cc1CNC(=S)Nc1ccc(Cl)cc1 ZINC000822761658 599229340 /nfs/dbraw/zinc/22/93/40/599229340.db2.gz QOAYYRUMHDKKKA-UHFFFAOYSA-N -1 3 362.821 3.146 20 0 FGADHM COc1cccc(N2CCC[C@H](Nc3ccc(-c4nn[n-]n4)cc3F)C2)c1 ZINC000737140935 599231333 /nfs/dbraw/zinc/23/13/33/599231333.db2.gz UBIUPFLTIHJDTP-AWEZNQCLSA-N -1 3 368.416 3.095 20 0 FGADHM C[C@H]1CN(C(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C[C@H](C)S1 ZINC000820742161 599227597 /nfs/dbraw/zinc/22/75/97/599227597.db2.gz HRKPQCLJMGOWAP-IUCAKERBSA-N -1 3 368.919 3.043 20 0 FGADHM C[C@H]1CN(C(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C[C@H](C)S1 ZINC000820742161 599227599 /nfs/dbraw/zinc/22/75/99/599227599.db2.gz HRKPQCLJMGOWAP-IUCAKERBSA-N -1 3 368.919 3.043 20 0 FGADHM CCCOc1cccc(CC(=O)OCc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000821133571 607265372 /nfs/dbraw/zinc/26/53/72/607265372.db2.gz AWQMKIUXGOODBO-UHFFFAOYSA-N -1 3 370.384 3.081 20 0 FGADHM CCCOc1cccc(CC(=O)OCc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000821133571 607265373 /nfs/dbraw/zinc/26/53/73/607265373.db2.gz AWQMKIUXGOODBO-UHFFFAOYSA-N -1 3 370.384 3.081 20 0 FGADHM Cc1ccc(F)c(NC(=S)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000822240194 599239602 /nfs/dbraw/zinc/23/96/02/599239602.db2.gz WLSSPNLWXBQSPP-LLVKDONJSA-N -1 3 356.430 3.362 20 0 FGADHM Cc1ccc(F)c(NC(=S)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000822240194 599239604 /nfs/dbraw/zinc/23/96/04/599239604.db2.gz WLSSPNLWXBQSPP-LLVKDONJSA-N -1 3 356.430 3.362 20 0 FGADHM CCOc1ccc(NC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821422050 599235754 /nfs/dbraw/zinc/23/57/54/599235754.db2.gz KYKSUPWGSIQWRQ-GFCCVEGCSA-N -1 3 352.398 3.148 20 0 FGADHM CCOc1ccc(NC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821422050 599235756 /nfs/dbraw/zinc/23/57/56/599235756.db2.gz KYKSUPWGSIQWRQ-GFCCVEGCSA-N -1 3 352.398 3.148 20 0 FGADHM CCSCC[C@H](C)NC(=O)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000825674700 607834827 /nfs/dbraw/zinc/83/48/27/607834827.db2.gz QROPDDLKFBCWMR-QMMMGPOBSA-N -1 3 374.297 3.435 20 0 FGADHM CCSCC[C@H](C)NC(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000825674700 607834828 /nfs/dbraw/zinc/83/48/28/607834828.db2.gz QROPDDLKFBCWMR-QMMMGPOBSA-N -1 3 374.297 3.435 20 0 FGADHM C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000736233666 599248483 /nfs/dbraw/zinc/24/84/83/599248483.db2.gz GEQUYAHMEKJKBX-YVEFUNNKSA-N -1 3 351.385 3.229 20 0 FGADHM C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000736233666 599248484 /nfs/dbraw/zinc/24/84/84/599248484.db2.gz GEQUYAHMEKJKBX-YVEFUNNKSA-N -1 3 351.385 3.229 20 0 FGADHM Cc1c(NC(=O)N2CC[C@](C)(c3ccccc3)C2)cccc1-c1nnn[n-]1 ZINC000822084879 607282167 /nfs/dbraw/zinc/28/21/67/607282167.db2.gz RDJDTVUGRCBBFG-FQEVSTJZSA-N -1 3 362.437 3.371 20 0 FGADHM Cc1c(NC(=O)N2CC[C@](C)(c3ccccc3)C2)cccc1-c1nn[n-]n1 ZINC000822084879 607282168 /nfs/dbraw/zinc/28/21/68/607282168.db2.gz RDJDTVUGRCBBFG-FQEVSTJZSA-N -1 3 362.437 3.371 20 0 FGADHM CCOc1ccc(CN(C)c2c(-c3nnn[n-]3)cnc3ccccc32)cc1 ZINC000736644252 599254432 /nfs/dbraw/zinc/25/44/32/599254432.db2.gz VULNMVVRSAMMQU-UHFFFAOYSA-N -1 3 360.421 3.450 20 0 FGADHM Cc1cc(C)c(CNC(=O)Nc2cccc(-c3nnn[n-]3)c2C)c(C)c1 ZINC000822194233 607287809 /nfs/dbraw/zinc/28/78/09/607287809.db2.gz OHAPXUCTDASYOT-UHFFFAOYSA-N -1 3 350.426 3.422 20 0 FGADHM Cc1cc(C)c(CNC(=O)Nc2cccc(-c3nn[n-]n3)c2C)c(C)c1 ZINC000822194233 607287810 /nfs/dbraw/zinc/28/78/10/607287810.db2.gz OHAPXUCTDASYOT-UHFFFAOYSA-N -1 3 350.426 3.422 20 0 FGADHM CCOc1ccc(CN(C)c2c(-c3nn[n-]n3)cnc3ccccc32)cc1 ZINC000736644252 599254433 /nfs/dbraw/zinc/25/44/33/599254433.db2.gz VULNMVVRSAMMQU-UHFFFAOYSA-N -1 3 360.421 3.450 20 0 FGADHM C[C@H](c1ccccc1)N1CC[C@H](NC(=O)Nc2ccccc2CC(=O)[O-])C1 ZINC000818071243 597341844 /nfs/dbraw/zinc/34/18/44/597341844.db2.gz LOJOTTATJZJTRJ-QAPCUYQASA-N -1 3 367.449 3.271 20 0 FGADHM Cc1nc(C)c([C@H](C)N(C)C(=O)Nc2cccc(-c3nnn[n-]3)c2C)s1 ZINC000822427205 607285247 /nfs/dbraw/zinc/28/52/47/607285247.db2.gz FFQKPHMSNBZCCV-NSHDSACASA-N -1 3 371.470 3.473 20 0 FGADHM Cc1nc(C)c([C@H](C)N(C)C(=O)Nc2cccc(-c3nn[n-]n3)c2C)s1 ZINC000822427205 607285248 /nfs/dbraw/zinc/28/52/48/607285248.db2.gz FFQKPHMSNBZCCV-NSHDSACASA-N -1 3 371.470 3.473 20 0 FGADHM Cc1cccc([C@H]2CCCN2C(=O)Nc2cccc(-c3nnn[n-]3)c2C)n1 ZINC000822299931 607286028 /nfs/dbraw/zinc/28/60/28/607286028.db2.gz ZNUIWBBXFBZQMA-QGZVFWFLSA-N -1 3 363.425 3.248 20 0 FGADHM Cc1cccc([C@H]2CCCN2C(=O)Nc2cccc(-c3nn[n-]n3)c2C)n1 ZINC000822299931 607286029 /nfs/dbraw/zinc/28/60/29/607286029.db2.gz ZNUIWBBXFBZQMA-QGZVFWFLSA-N -1 3 363.425 3.248 20 0 FGADHM CC[C@@H](NC(=O)Nc1cccc(-c2nnn[n-]2)c1C)c1ccccc1OC ZINC000820920197 607290404 /nfs/dbraw/zinc/29/04/04/607290404.db2.gz MVHNMSFRFJMSMC-OAHLLOKOSA-N -1 3 366.425 3.457 20 0 FGADHM CC[C@@H](NC(=O)Nc1cccc(-c2nn[n-]n2)c1C)c1ccccc1OC ZINC000820920197 607290405 /nfs/dbraw/zinc/29/04/05/607290405.db2.gz MVHNMSFRFJMSMC-OAHLLOKOSA-N -1 3 366.425 3.457 20 0 FGADHM Cc1oc(-c2ccccc2)nc1C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000822535587 607294390 /nfs/dbraw/zinc/29/43/90/607294390.db2.gz XKRDUGRVGCEYIS-UHFFFAOYSA-N -1 3 360.377 3.391 20 0 FGADHM Cc1oc(-c2ccccc2)nc1C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000822535587 607294391 /nfs/dbraw/zinc/29/43/91/607294391.db2.gz XKRDUGRVGCEYIS-UHFFFAOYSA-N -1 3 360.377 3.391 20 0 FGADHM O[C@@H]1CCCC[C@@H]1CCCNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000823705590 607306528 /nfs/dbraw/zinc/30/65/28/607306528.db2.gz HITJYZLWSLCXCD-ZYHUDNBSSA-N -1 3 370.379 3.024 20 0 FGADHM O[C@@H]1CCCC[C@@H]1CCCNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000823705590 607306529 /nfs/dbraw/zinc/30/65/29/607306529.db2.gz HITJYZLWSLCXCD-ZYHUDNBSSA-N -1 3 370.379 3.024 20 0 FGADHM CN(C)c1cccc(CN(C)c2nc3ccccc3cc2-c2nnn[n-]2)c1 ZINC000821591023 607306992 /nfs/dbraw/zinc/30/69/92/607306992.db2.gz QPXDAEXYKBCRJV-UHFFFAOYSA-N -1 3 359.437 3.117 20 0 FGADHM CN(C)c1cccc(CN(C)c2nc3ccccc3cc2-c2nn[n-]n2)c1 ZINC000821591023 607306993 /nfs/dbraw/zinc/30/69/93/607306993.db2.gz QPXDAEXYKBCRJV-UHFFFAOYSA-N -1 3 359.437 3.117 20 0 FGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)Oc1cc(Cl)ccc1F ZINC000737946395 599263012 /nfs/dbraw/zinc/26/30/12/599263012.db2.gz DQIOTRNPUSHDSK-UHFFFAOYSA-N -1 3 364.789 3.357 20 0 FGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)Oc1cc(Cl)ccc1F ZINC000737946395 599263014 /nfs/dbraw/zinc/26/30/14/599263014.db2.gz DQIOTRNPUSHDSK-UHFFFAOYSA-N -1 3 364.789 3.357 20 0 FGADHM COCCOc1ccc(NCc2cc(-c3nnn[n-]3)cs2)cc1Cl ZINC000821693804 607309948 /nfs/dbraw/zinc/30/99/48/607309948.db2.gz ODKWFWCXUPQNDU-UHFFFAOYSA-N -1 3 365.846 3.219 20 0 FGADHM COCCOc1ccc(NCc2cc(-c3nn[n-]n3)cs2)cc1Cl ZINC000821693804 607309949 /nfs/dbraw/zinc/30/99/49/607309949.db2.gz ODKWFWCXUPQNDU-UHFFFAOYSA-N -1 3 365.846 3.219 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N1C[C@@H](C)CCC[C@H]1C ZINC000821406218 599264762 /nfs/dbraw/zinc/26/47/62/599264762.db2.gz CTCUNLHONTXFFA-QWHCGFSZSA-N -1 3 358.446 3.308 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N1C[C@@H](C)CCC[C@H]1C ZINC000821406218 599264765 /nfs/dbraw/zinc/26/47/65/599264765.db2.gz CTCUNLHONTXFFA-QWHCGFSZSA-N -1 3 358.446 3.308 20 0 FGADHM COCCOc1c(Cl)cccc1NCc1ccc(-c2nnn[n-]2)s1 ZINC000821693083 607314420 /nfs/dbraw/zinc/31/44/20/607314420.db2.gz QKRJTOOYKXGIGN-UHFFFAOYSA-N -1 3 365.846 3.219 20 0 FGADHM COc1c(Cl)cccc1NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821698465 599265681 /nfs/dbraw/zinc/26/56/81/599265681.db2.gz LNYJPAZGFCWNBR-JTQLQIEISA-N -1 3 372.816 3.411 20 0 FGADHM COc1c(Cl)cccc1NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821698465 599265683 /nfs/dbraw/zinc/26/56/83/599265683.db2.gz LNYJPAZGFCWNBR-JTQLQIEISA-N -1 3 372.816 3.411 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1N1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000737641218 599267773 /nfs/dbraw/zinc/26/77/73/599267773.db2.gz VKKPCFYWFPOUKH-OAHLLOKOSA-N -1 3 367.384 3.119 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NC[C@H](C)Sc1ccccc1 ZINC000822220155 599270952 /nfs/dbraw/zinc/27/09/52/599270952.db2.gz GBZNHQIGGAJOPD-ZDUSSCGKSA-N -1 3 368.466 3.477 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NC[C@H](C)Sc1ccccc1 ZINC000822220155 599270954 /nfs/dbraw/zinc/27/09/54/599270954.db2.gz GBZNHQIGGAJOPD-ZDUSSCGKSA-N -1 3 368.466 3.477 20 0 FGADHM O[C@H](CSc1ccc(-c2nnn[n-]2)cc1Cl)c1ccc(F)cc1 ZINC000826505071 607843252 /nfs/dbraw/zinc/84/32/52/607843252.db2.gz LFLQJTIFPQLGEK-CYBMUJFWSA-N -1 3 350.806 3.485 20 0 FGADHM O[C@H](CSc1ccc(-c2nn[n-]n2)cc1Cl)c1ccc(F)cc1 ZINC000826505071 607843253 /nfs/dbraw/zinc/84/32/53/607843253.db2.gz LFLQJTIFPQLGEK-CYBMUJFWSA-N -1 3 350.806 3.485 20 0 FGADHM Cc1csc([C@H]2CCCN(C(=O)Nc3cccc(-c4nnn[n-]4)c3)C2)n1 ZINC000737454876 599285724 /nfs/dbraw/zinc/28/57/24/599285724.db2.gz IMHVXJPDCGENQW-ZDUSSCGKSA-N -1 3 369.454 3.043 20 0 FGADHM Cc1csc([C@H]2CCCN(C(=O)Nc3cccc(-c4nn[n-]n4)c3)C2)n1 ZINC000737454876 599285727 /nfs/dbraw/zinc/28/57/27/599285727.db2.gz IMHVXJPDCGENQW-ZDUSSCGKSA-N -1 3 369.454 3.043 20 0 FGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)[C@@H]1CSc2ccccc21 ZINC000735654518 599291492 /nfs/dbraw/zinc/29/14/92/599291492.db2.gz DXSAYPTYVBNRRS-CYBMUJFWSA-N -1 3 368.466 3.251 20 0 FGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1CSc2ccccc21 ZINC000735654518 599291494 /nfs/dbraw/zinc/29/14/94/599291494.db2.gz DXSAYPTYVBNRRS-CYBMUJFWSA-N -1 3 368.466 3.251 20 0 FGADHM Clc1ccc(-c2nnn[n-]2)c(N[C@@H]2CCOC3(CCSCC3)C2)c1 ZINC000822568814 607331436 /nfs/dbraw/zinc/33/14/36/607331436.db2.gz XRFYXGSUWWVCOS-GFCCVEGCSA-N -1 3 365.890 3.377 20 0 FGADHM Clc1ccc(-c2nn[n-]n2)c(N[C@@H]2CCOC3(CCSCC3)C2)c1 ZINC000822568814 607331437 /nfs/dbraw/zinc/33/14/37/607331437.db2.gz XRFYXGSUWWVCOS-GFCCVEGCSA-N -1 3 365.890 3.377 20 0 FGADHM Cc1cc(C)n(CCCNc2ccc(C(F)(F)F)c(-c3nnn[n-]3)c2)n1 ZINC000822198924 607345205 /nfs/dbraw/zinc/34/52/05/607345205.db2.gz OIJSVRKSVQIOFW-UHFFFAOYSA-N -1 3 365.363 3.201 20 0 FGADHM Cc1cc(C)n(CCCNc2ccc(C(F)(F)F)c(-c3nn[n-]n3)c2)n1 ZINC000822198924 607345207 /nfs/dbraw/zinc/34/52/07/607345207.db2.gz OIJSVRKSVQIOFW-UHFFFAOYSA-N -1 3 365.363 3.201 20 0 FGADHM O=C(N[C@@H](c1ccc(F)cc1)C1CCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737999950 598232832 /nfs/dbraw/zinc/23/28/32/598232832.db2.gz VWHMUPDNLKNPFU-QGZVFWFLSA-N -1 3 351.385 3.277 20 0 FGADHM O=C(N[C@@H](c1ccc(F)cc1)C1CCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737999950 598232833 /nfs/dbraw/zinc/23/28/33/598232833.db2.gz VWHMUPDNLKNPFU-QGZVFWFLSA-N -1 3 351.385 3.277 20 0 FGADHM CC(C)(C)CCCCNC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000735603625 598233528 /nfs/dbraw/zinc/23/35/28/598233528.db2.gz MYFUKKWIQQDGAM-QGZVFWFLSA-N -1 3 370.501 3.168 20 0 FGADHM Cc1nn(-c2ccccc2)c(C)c1CNc1ccc(-c2nn[n-]n2)cc1F ZINC000737503878 598236378 /nfs/dbraw/zinc/23/63/78/598236378.db2.gz MZBNUGGSPNQEIW-UHFFFAOYSA-N -1 3 363.400 3.420 20 0 FGADHM O=C(CCCNc1ccc(-c2nn[n-]n2)cc1F)Nc1ccc(Cl)cc1 ZINC000737840709 598241204 /nfs/dbraw/zinc/24/12/04/598241204.db2.gz FEPAENIXYQZXAI-UHFFFAOYSA-N -1 3 374.807 3.490 20 0 FGADHM O[C@@H](CNc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1C(F)(F)F ZINC000738383707 598242621 /nfs/dbraw/zinc/24/26/21/598242621.db2.gz PJUYBATZHSBPFR-AWEZNQCLSA-N -1 3 367.306 3.170 20 0 FGADHM COc1cccc(C2CCN(c3ccc(-c4nn[n-]n4)cc3F)CC2)c1 ZINC000737128741 598242783 /nfs/dbraw/zinc/24/27/83/598242783.db2.gz HFGSRYQYFOBOQF-UHFFFAOYSA-N -1 3 353.401 3.398 20 0 FGADHM Cc1nnc(N(C)CCc2cccc3ccccc32)c(-c2nnn[n-]2)c1C ZINC000737520263 598245332 /nfs/dbraw/zinc/24/53/32/598245332.db2.gz GTZKICMWEKGXHH-UHFFFAOYSA-N -1 3 359.437 3.106 20 0 FGADHM Cc1nnc(N(C)CCc2cccc3ccccc32)c(-c2nn[n-]n2)c1C ZINC000737520263 598245333 /nfs/dbraw/zinc/24/53/33/598245333.db2.gz GTZKICMWEKGXHH-UHFFFAOYSA-N -1 3 359.437 3.106 20 0 FGADHM CC(C)(CNc1ccc(-c2nnn[n-]2)cn1)c1cccc(Br)c1 ZINC000735671140 598247552 /nfs/dbraw/zinc/24/75/52/598247552.db2.gz ONGHQJFBHPDZLV-UHFFFAOYSA-N -1 3 373.258 3.414 20 0 FGADHM CC(C)(CNc1ccc(-c2nn[n-]n2)cn1)c1cccc(Br)c1 ZINC000735671140 598247553 /nfs/dbraw/zinc/24/75/53/598247553.db2.gz ONGHQJFBHPDZLV-UHFFFAOYSA-N -1 3 373.258 3.414 20 0 FGADHM C[C@H](c1cc(F)ccc1F)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000736196549 598250995 /nfs/dbraw/zinc/25/09/95/598250995.db2.gz JOEMAJSLYITXPW-CYBMUJFWSA-N -1 3 370.407 3.028 20 0 FGADHM C[C@H](c1cc(F)ccc1F)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000736196549 598250998 /nfs/dbraw/zinc/25/09/98/598250998.db2.gz JOEMAJSLYITXPW-CYBMUJFWSA-N -1 3 370.407 3.028 20 0 FGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)NCc1cccc(Cl)c1 ZINC000735660582 598275734 /nfs/dbraw/zinc/27/57/34/598275734.db2.gz DMNIGXKECWQKJA-UHFFFAOYSA-N -1 3 373.848 3.398 20 0 FGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)NCc1cccc(Cl)c1 ZINC000735660582 598275735 /nfs/dbraw/zinc/27/57/35/598275735.db2.gz DMNIGXKECWQKJA-UHFFFAOYSA-N -1 3 373.848 3.398 20 0 FGADHM Cc1ccc(CNC(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)s1 ZINC000737341461 598280175 /nfs/dbraw/zinc/28/01/75/598280175.db2.gz HUCBONUYDYOWIS-UHFFFAOYSA-N -1 3 359.459 3.115 20 0 FGADHM Cc1ccc(CNC(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)s1 ZINC000737341461 598280176 /nfs/dbraw/zinc/28/01/76/598280176.db2.gz HUCBONUYDYOWIS-UHFFFAOYSA-N -1 3 359.459 3.115 20 0 FGADHM Cc1ccc(OCCC(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)c(C)c1 ZINC000737367128 598280788 /nfs/dbraw/zinc/28/07/88/598280788.db2.gz ZPYVNEMMEHFCQL-UHFFFAOYSA-N -1 3 369.400 3.055 20 0 FGADHM Cc1ccc(OCCC(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)c(C)c1 ZINC000737367128 598280789 /nfs/dbraw/zinc/28/07/89/598280789.db2.gz ZPYVNEMMEHFCQL-UHFFFAOYSA-N -1 3 369.400 3.055 20 0 FGADHM CN(C(=O)c1csc2ccccc12)c1ccc(-c2nnn[n-]2)cc1F ZINC000736740579 598282179 /nfs/dbraw/zinc/28/21/79/598282179.db2.gz BQRATILXAPFNAO-UHFFFAOYSA-N -1 3 353.382 3.497 20 0 FGADHM CN(C(=O)c1csc2ccccc12)c1ccc(-c2nn[n-]n2)cc1F ZINC000736740579 598282181 /nfs/dbraw/zinc/28/21/81/598282181.db2.gz BQRATILXAPFNAO-UHFFFAOYSA-N -1 3 353.382 3.497 20 0 FGADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCc1ccc(F)c(Cl)c1 ZINC000736819614 598285295 /nfs/dbraw/zinc/28/52/95/598285295.db2.gz FXOPONXAHUCAOT-UHFFFAOYSA-N -1 3 374.807 3.001 20 0 FGADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCc1ccc(F)c(Cl)c1 ZINC000736819614 598285296 /nfs/dbraw/zinc/28/52/96/598285296.db2.gz FXOPONXAHUCAOT-UHFFFAOYSA-N -1 3 374.807 3.001 20 0 FGADHM CC(C)(C(=O)OCc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1F ZINC000735581828 598290591 /nfs/dbraw/zinc/29/05/91/598290591.db2.gz DVTRXOFDKVHJAK-UHFFFAOYSA-N -1 3 358.348 3.166 20 0 FGADHM CC(C)(C(=O)OCc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1F ZINC000735581828 598290593 /nfs/dbraw/zinc/29/05/93/598290593.db2.gz DVTRXOFDKVHJAK-UHFFFAOYSA-N -1 3 358.348 3.166 20 0 FGADHM CCSc1ccccc1C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000736665530 598304628 /nfs/dbraw/zinc/30/46/28/598304628.db2.gz FJWMLUFQAVSWFA-UHFFFAOYSA-N -1 3 357.414 3.048 20 0 FGADHM CCSc1ccccc1C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000736665530 598304630 /nfs/dbraw/zinc/30/46/30/598304630.db2.gz FJWMLUFQAVSWFA-UHFFFAOYSA-N -1 3 357.414 3.048 20 0 FGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)c1cccc(Cl)c1Cl ZINC000738103184 598306756 /nfs/dbraw/zinc/30/67/56/598306756.db2.gz ZVUGESOCBQOLBL-UHFFFAOYSA-N -1 3 366.183 3.243 20 0 FGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)c1cccc(Cl)c1Cl ZINC000738103184 598306758 /nfs/dbraw/zinc/30/67/58/598306758.db2.gz ZVUGESOCBQOLBL-UHFFFAOYSA-N -1 3 366.183 3.243 20 0 FGADHM Fc1ccc(-c2nnn[n-]2)cc1CSCCOCCOc1ccccc1 ZINC000737648145 598314160 /nfs/dbraw/zinc/31/41/60/598314160.db2.gz HVRVVXUQJQUGGE-UHFFFAOYSA-N -1 3 374.441 3.335 20 0 FGADHM Fc1ccc(-c2nn[n-]n2)cc1CSCCOCCOc1ccccc1 ZINC000737648145 598314162 /nfs/dbraw/zinc/31/41/62/598314162.db2.gz HVRVVXUQJQUGGE-UHFFFAOYSA-N -1 3 374.441 3.335 20 0 FGADHM O=C(NCCCC1CCCCC1)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000738055316 598319793 /nfs/dbraw/zinc/31/97/93/598319793.db2.gz KSAJULBSSGNVIQ-UHFFFAOYSA-N -1 3 360.437 3.166 20 0 FGADHM O=C(NCCCC1CCCCC1)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000738055316 598319794 /nfs/dbraw/zinc/31/97/94/598319794.db2.gz KSAJULBSSGNVIQ-UHFFFAOYSA-N -1 3 360.437 3.166 20 0 FGADHM S=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N[C@@H]1C[C@@H]1c1ccccc1 ZINC000738410226 598323479 /nfs/dbraw/zinc/32/34/79/598323479.db2.gz XCDZVZYEJWJZMB-UKRRQHHQSA-N -1 3 370.869 3.363 20 0 FGADHM S=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N[C@@H]1C[C@@H]1c1ccccc1 ZINC000738410226 598323482 /nfs/dbraw/zinc/32/34/82/598323482.db2.gz XCDZVZYEJWJZMB-UKRRQHHQSA-N -1 3 370.869 3.363 20 0 FGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cccc(F)c1F ZINC000735906204 598326684 /nfs/dbraw/zinc/32/66/84/598326684.db2.gz PRXJDASNQXHTPZ-UHFFFAOYSA-N -1 3 359.336 3.184 20 0 FGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cccc(F)c1F ZINC000735906204 598326686 /nfs/dbraw/zinc/32/66/86/598326686.db2.gz PRXJDASNQXHTPZ-UHFFFAOYSA-N -1 3 359.336 3.184 20 0 FGADHM CC(C)CN(C(=O)NCc1ccc(-c2nnn[n-]2)cc1F)C1CCCC1 ZINC000735817505 598327812 /nfs/dbraw/zinc/32/78/12/598327812.db2.gz ARHPXBATHHQBQP-UHFFFAOYSA-N -1 3 360.437 3.116 20 0 FGADHM CC(C)CN(C(=O)NCc1ccc(-c2nn[n-]n2)cc1F)C1CCCC1 ZINC000735817505 598327814 /nfs/dbraw/zinc/32/78/14/598327814.db2.gz ARHPXBATHHQBQP-UHFFFAOYSA-N -1 3 360.437 3.116 20 0 FGADHM Cc1ccc(Cl)cc1N1CC[C@@H](CNc2ncccc2-c2nnn[n-]2)C1 ZINC000737342509 598353483 /nfs/dbraw/zinc/35/34/83/598353483.db2.gz GFFBDBMXGNZJSC-ZDUSSCGKSA-N -1 3 369.860 3.162 20 0 FGADHM Cc1ccc(Cl)cc1N1CC[C@@H](CNc2ncccc2-c2nn[n-]n2)C1 ZINC000737342509 598353485 /nfs/dbraw/zinc/35/34/85/598353485.db2.gz GFFBDBMXGNZJSC-ZDUSSCGKSA-N -1 3 369.860 3.162 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)NC1(c2ccccc2)CC1 ZINC000736637942 598360448 /nfs/dbraw/zinc/36/04/48/598360448.db2.gz VIQPAZMDGQDBTC-UHFFFAOYSA-N -1 3 364.409 3.076 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)NC1(c2ccccc2)CC1 ZINC000736637942 598360451 /nfs/dbraw/zinc/36/04/51/598360451.db2.gz VIQPAZMDGQDBTC-UHFFFAOYSA-N -1 3 364.409 3.076 20 0 FGADHM COc1ccccc1[C@H]1CCCCN1C(=O)c1sccc1-c1nnn[n-]1 ZINC000737145059 598360969 /nfs/dbraw/zinc/36/09/69/598360969.db2.gz AUOYRTSKECJAOB-CQSZACIVSA-N -1 3 369.450 3.304 20 0 FGADHM COc1ccccc1[C@H]1CCCCN1C(=O)c1sccc1-c1nn[n-]n1 ZINC000737145059 598360971 /nfs/dbraw/zinc/36/09/71/598360971.db2.gz AUOYRTSKECJAOB-CQSZACIVSA-N -1 3 369.450 3.304 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N1CCC[C@@H](Cc2ccccc2)C1 ZINC000737801341 598362955 /nfs/dbraw/zinc/36/29/55/598362955.db2.gz SZTBKMJZYVGKRJ-HHNLSAEISA-N -1 3 373.460 3.361 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N1CCC[C@@H](Cc2ccccc2)C1 ZINC000737801341 598362956 /nfs/dbraw/zinc/36/29/56/598362956.db2.gz SZTBKMJZYVGKRJ-HHNLSAEISA-N -1 3 373.460 3.361 20 0 FGADHM Cc1oc(-c2ccsc2)nc1COC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737546015 598371295 /nfs/dbraw/zinc/37/12/95/598371295.db2.gz BITAITRWTSOAQQ-UHFFFAOYSA-N -1 3 367.390 3.249 20 0 FGADHM Cc1oc(-c2ccsc2)nc1COC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737546015 598371297 /nfs/dbraw/zinc/37/12/97/598371297.db2.gz BITAITRWTSOAQQ-UHFFFAOYSA-N -1 3 367.390 3.249 20 0 FGADHM CC(C)CCN(C(=O)CNc1ccc(-c2nn[n-]n2)cc1)C1CCCC1 ZINC000735796526 598383794 /nfs/dbraw/zinc/38/37/94/598383794.db2.gz DCAGPTCHZOBMSU-UHFFFAOYSA-N -1 3 356.474 3.096 20 0 FGADHM Clc1cc(-c2nnn[n-]2)cnc1N1CCC(Cc2ccccc2)CC1 ZINC000737563769 598385935 /nfs/dbraw/zinc/38/59/35/598385935.db2.gz PZSDVLWSGSAXAL-UHFFFAOYSA-N -1 3 354.845 3.374 20 0 FGADHM Clc1cc(-c2nn[n-]n2)cnc1N1CCC(Cc2ccccc2)CC1 ZINC000737563769 598385937 /nfs/dbraw/zinc/38/59/37/598385937.db2.gz PZSDVLWSGSAXAL-UHFFFAOYSA-N -1 3 354.845 3.374 20 0 FGADHM CCCC(=O)Nc1ccc(CNc2ncc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000736416458 598389547 /nfs/dbraw/zinc/38/95/47/598389547.db2.gz NUXJYHMJPQCHSW-UHFFFAOYSA-N -1 3 371.832 3.266 20 0 FGADHM CCCC(=O)Nc1ccc(CNc2ncc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000736416458 598389549 /nfs/dbraw/zinc/38/95/49/598389549.db2.gz NUXJYHMJPQCHSW-UHFFFAOYSA-N -1 3 371.832 3.266 20 0 FGADHM Cc1nc(C)c([C@@H](C)N(C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)s1 ZINC000737470383 598391483 /nfs/dbraw/zinc/39/14/83/598391483.db2.gz IHILONJPHAQUAB-SNVBAGLBSA-N -1 3 357.443 3.165 20 0 FGADHM Cc1nc(C)c([C@@H](C)N(C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)s1 ZINC000737470383 598391485 /nfs/dbraw/zinc/39/14/85/598391485.db2.gz IHILONJPHAQUAB-SNVBAGLBSA-N -1 3 357.443 3.165 20 0 FGADHM CO[C@H](C)c1cccc(NC(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736960122 598413076 /nfs/dbraw/zinc/41/30/76/598413076.db2.gz FGWNIZRALXHYSR-CHWSQXEVSA-N -1 3 366.425 3.457 20 0 FGADHM CO[C@H](C)c1cccc(NC(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736960122 598413078 /nfs/dbraw/zinc/41/30/78/598413078.db2.gz FGWNIZRALXHYSR-CHWSQXEVSA-N -1 3 366.425 3.457 20 0 FGADHM Cc1nc(C)c([C@@H](C)N(C)C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)s1 ZINC000737471889 598414357 /nfs/dbraw/zinc/41/43/57/598414357.db2.gz VVGWQRMCYDHUHE-LLVKDONJSA-N -1 3 371.470 3.473 20 0 FGADHM Cc1nc(C)c([C@@H](C)N(C)C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)s1 ZINC000737471889 598414358 /nfs/dbraw/zinc/41/43/58/598414358.db2.gz VVGWQRMCYDHUHE-LLVKDONJSA-N -1 3 371.470 3.473 20 0 FGADHM C[C@H](NC(=O)CNc1ccc(-c2nn[n-]n2)cc1)c1cccc2ccccc21 ZINC000736106926 598415272 /nfs/dbraw/zinc/41/52/72/598415272.db2.gz VMOVICJNWHBYSS-AWEZNQCLSA-N -1 3 372.432 3.309 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cc(C)ccc1F ZINC000736479434 598416547 /nfs/dbraw/zinc/41/65/47/598416547.db2.gz HGMJIECYSUPJAO-UHFFFAOYSA-N -1 3 353.401 3.367 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cc(C)ccc1F ZINC000736479434 598416549 /nfs/dbraw/zinc/41/65/49/598416549.db2.gz HGMJIECYSUPJAO-UHFFFAOYSA-N -1 3 353.401 3.367 20 0 FGADHM Cc1nn(C)c(Cl)c1CN(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC000737512498 598426673 /nfs/dbraw/zinc/42/66/73/598426673.db2.gz WGRPEKJTEDWUTK-UHFFFAOYSA-N -1 3 373.892 3.220 20 0 FGADHM Cc1cc(C)cc([C@@H](C)NC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000737253059 598430580 /nfs/dbraw/zinc/43/05/80/598430580.db2.gz OZEYKKGHWRUTMM-CYBMUJFWSA-N -1 3 368.416 3.183 20 0 FGADHM Cc1cc(C)cc([C@@H](C)NC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000737253059 598430582 /nfs/dbraw/zinc/43/05/82/598430582.db2.gz OZEYKKGHWRUTMM-CYBMUJFWSA-N -1 3 368.416 3.183 20 0 FGADHM O=C(c1ccc(-c2nnn[n-]2)cn1)N(Cc1ccccc1)Cc1ccccc1 ZINC000738260768 598435348 /nfs/dbraw/zinc/43/53/48/598435348.db2.gz FGYYZLUOSSMMBN-UHFFFAOYSA-N -1 3 370.416 3.104 20 0 FGADHM O=C(c1ccc(-c2nn[n-]n2)cn1)N(Cc1ccccc1)Cc1ccccc1 ZINC000738260768 598435350 /nfs/dbraw/zinc/43/53/50/598435350.db2.gz FGYYZLUOSSMMBN-UHFFFAOYSA-N -1 3 370.416 3.104 20 0 FGADHM COc1ccc([C@@H](C)C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCC3)cc1 ZINC000737074976 598437220 /nfs/dbraw/zinc/43/72/20/598437220.db2.gz ZQVHZNPJACKSCQ-SNVBAGLBSA-N -1 3 369.450 3.168 20 0 FGADHM COc1ccc([C@@H](C)C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)cc1 ZINC000737074976 598437221 /nfs/dbraw/zinc/43/72/21/598437221.db2.gz ZQVHZNPJACKSCQ-SNVBAGLBSA-N -1 3 369.450 3.168 20 0 FGADHM O=C(c1ccc(-c2nnn[n-]2)cn1)N(Cc1ccccc1)c1ccccc1 ZINC000738260353 598439027 /nfs/dbraw/zinc/43/90/27/598439027.db2.gz CBXPCESVFUSOGE-UHFFFAOYSA-N -1 3 356.389 3.109 20 0 FGADHM O=C(c1ccc(-c2nn[n-]n2)cn1)N(Cc1ccccc1)c1ccccc1 ZINC000738260353 598439030 /nfs/dbraw/zinc/43/90/30/598439030.db2.gz CBXPCESVFUSOGE-UHFFFAOYSA-N -1 3 356.389 3.109 20 0 FGADHM CCCc1ccc([C@@H](NC(=O)c2ccc(-c3nnn[n-]3)cn2)C(C)C)cc1 ZINC000736496977 598439674 /nfs/dbraw/zinc/43/96/74/598439674.db2.gz MXNOADQBSOCRJM-SFHVURJKSA-N -1 3 364.453 3.341 20 0 FGADHM CCCc1ccc([C@@H](NC(=O)c2ccc(-c3nn[n-]n3)cn2)C(C)C)cc1 ZINC000736496977 598439675 /nfs/dbraw/zinc/43/96/75/598439675.db2.gz MXNOADQBSOCRJM-SFHVURJKSA-N -1 3 364.453 3.341 20 0 FGADHM Cc1cccc(C2(NC(=O)Cc3ccc(-c4nnn[n-]4)cc3)CCCC2)c1 ZINC000737388701 598447534 /nfs/dbraw/zinc/44/75/34/598447534.db2.gz HYTJSRPMDUQPSN-UHFFFAOYSA-N -1 3 361.449 3.303 20 0 FGADHM Cc1cccc(C2(NC(=O)Cc3ccc(-c4nn[n-]n4)cc3)CCCC2)c1 ZINC000737388701 598447535 /nfs/dbraw/zinc/44/75/35/598447535.db2.gz HYTJSRPMDUQPSN-UHFFFAOYSA-N -1 3 361.449 3.303 20 0 FGADHM FC(F)(F)c1cccc(C2(CNc3ccc(-c4nnn[n-]4)cn3)CC2)c1 ZINC000737635848 598459349 /nfs/dbraw/zinc/45/93/49/598459349.db2.gz NMPNSNAWZPKSSG-UHFFFAOYSA-N -1 3 360.343 3.424 20 0 FGADHM FC(F)(F)c1cccc(C2(CNc3ccc(-c4nn[n-]n4)cn3)CC2)c1 ZINC000737635848 598459350 /nfs/dbraw/zinc/45/93/50/598459350.db2.gz NMPNSNAWZPKSSG-UHFFFAOYSA-N -1 3 360.343 3.424 20 0 FGADHM O=C(c1ccc(-c2nnn[n-]2)cn1)N1CCC[C@@H]1c1cccc2ccccc21 ZINC000738260869 598461768 /nfs/dbraw/zinc/46/17/68/598461768.db2.gz HMYVPJOAZIAZIF-LJQANCHMSA-N -1 3 370.416 3.392 20 0 FGADHM O=C(c1ccc(-c2nn[n-]n2)cn1)N1CCC[C@@H]1c1cccc2ccccc21 ZINC000738260869 598461769 /nfs/dbraw/zinc/46/17/69/598461769.db2.gz HMYVPJOAZIAZIF-LJQANCHMSA-N -1 3 370.416 3.392 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)NCCCc1c[nH]c2ccccc12 ZINC000737803938 598467003 /nfs/dbraw/zinc/46/70/03/598467003.db2.gz WQSQHJJOEFYARA-QXMHVHEDSA-N -1 3 372.432 3.110 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)NCCCc1c[nH]c2ccccc12 ZINC000737803938 598467004 /nfs/dbraw/zinc/46/70/04/598467004.db2.gz WQSQHJJOEFYARA-QXMHVHEDSA-N -1 3 372.432 3.110 20 0 FGADHM O[C@@H](CNc1cccc(F)c1-c1nnn[n-]1)c1cccc(C(F)(F)F)c1 ZINC000738385140 598468078 /nfs/dbraw/zinc/46/80/78/598468078.db2.gz WAWYPERWHHZZBA-ZDUSSCGKSA-N -1 3 367.306 3.170 20 0 FGADHM O[C@@H](CNc1cccc(F)c1-c1nn[n-]n1)c1cccc(C(F)(F)F)c1 ZINC000738385140 598468080 /nfs/dbraw/zinc/46/80/80/598468080.db2.gz WAWYPERWHHZZBA-ZDUSSCGKSA-N -1 3 367.306 3.170 20 0 FGADHM Fc1ccc(OC[C@H]2CCCO2)c(NCc2ccccc2-c2nnn[n-]2)c1 ZINC000737656040 598470715 /nfs/dbraw/zinc/47/07/15/598470715.db2.gz GSOWCCDUNYBEEV-OAHLLOKOSA-N -1 3 369.400 3.176 20 0 FGADHM Fc1ccc(OC[C@H]2CCCO2)c(NCc2ccccc2-c2nn[n-]n2)c1 ZINC000737656040 598470717 /nfs/dbraw/zinc/47/07/17/598470717.db2.gz GSOWCCDUNYBEEV-OAHLLOKOSA-N -1 3 369.400 3.176 20 0 FGADHM CSCc1ccc(NC(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737181254 598477150 /nfs/dbraw/zinc/47/71/50/598477150.db2.gz JGRILCLHQIJEPF-UHFFFAOYSA-N -1 3 354.439 3.051 20 0 FGADHM CSCc1ccc(NC(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737181254 598477151 /nfs/dbraw/zinc/47/71/51/598477151.db2.gz JGRILCLHQIJEPF-UHFFFAOYSA-N -1 3 354.439 3.051 20 0 FGADHM CSc1ccsc1C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000737193146 598488826 /nfs/dbraw/zinc/48/88/26/598488826.db2.gz XVRQQVWIAADYAK-UHFFFAOYSA-N -1 3 362.484 3.459 20 0 FGADHM CSc1ccsc1C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000737193146 598488827 /nfs/dbraw/zinc/48/88/27/598488827.db2.gz XVRQQVWIAADYAK-UHFFFAOYSA-N -1 3 362.484 3.459 20 0 FGADHM C[C@@H](OC(=O)c1ccc(OC(F)F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000736159050 598491808 /nfs/dbraw/zinc/49/18/08/598491808.db2.gz TVCRTCZNSPZQRD-SNVBAGLBSA-N -1 3 360.320 3.386 20 0 FGADHM C[C@@H](OC(=O)c1ccc(OC(F)F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000736159050 598491809 /nfs/dbraw/zinc/49/18/09/598491809.db2.gz TVCRTCZNSPZQRD-SNVBAGLBSA-N -1 3 360.320 3.386 20 0 FGADHM COc1ccc(CN(C)c2ccc(Cl)cc2-c2nnn[n-]2)cc1OC ZINC000737090541 598506730 /nfs/dbraw/zinc/50/67/30/598506730.db2.gz IKVSXYMWJRGCFN-UHFFFAOYSA-N -1 3 359.817 3.174 20 0 FGADHM COc1ccc(CN(C)c2ccc(Cl)cc2-c2nn[n-]n2)cc1OC ZINC000737090541 598506732 /nfs/dbraw/zinc/50/67/32/598506732.db2.gz IKVSXYMWJRGCFN-UHFFFAOYSA-N -1 3 359.817 3.174 20 0 FGADHM CC(C)CC[C@@H]1CCC[C@H]1NC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000735798002 598519865 /nfs/dbraw/zinc/51/98/65/598519865.db2.gz UDTNGYGXDMDCHI-RVKKMQEKSA-N -1 3 371.485 3.355 20 0 FGADHM Brc1cccc2c1CC[C@@H]2Nc1ncccc1-c1nnn[n-]1 ZINC000735369429 598522071 /nfs/dbraw/zinc/52/20/71/598522071.db2.gz UFPVFAXTHMMXFU-ZDUSSCGKSA-N -1 3 357.215 3.124 20 0 FGADHM Brc1cccc2c1CC[C@@H]2Nc1ncccc1-c1nn[n-]n1 ZINC000735369429 598522073 /nfs/dbraw/zinc/52/20/73/598522073.db2.gz UFPVFAXTHMMXFU-ZDUSSCGKSA-N -1 3 357.215 3.124 20 0 FGADHM CCN(Cc1noc2c1CCCC2)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736564564 598537557 /nfs/dbraw/zinc/53/75/57/598537557.db2.gz HYOVEAUHZZVINT-CYBMUJFWSA-N -1 3 352.442 3.317 20 0 FGADHM Cc1ccc(C)c(CC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCC3)c1 ZINC000737321061 598539552 /nfs/dbraw/zinc/53/95/52/598539552.db2.gz CHQZEOQKTVILSM-UHFFFAOYSA-N -1 3 353.451 3.215 20 0 FGADHM Cc1ccc(C)c(CC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)c1 ZINC000737321061 598539553 /nfs/dbraw/zinc/53/95/53/598539553.db2.gz CHQZEOQKTVILSM-UHFFFAOYSA-N -1 3 353.451 3.215 20 0 FGADHM Cc1ccc(C[C@@H](C)NC(=O)Nc2cccc(-c3nnn[n-]3)c2)c(C)c1 ZINC000737334887 598540924 /nfs/dbraw/zinc/54/09/24/598540924.db2.gz OACZEBXTZXINHR-CQSZACIVSA-N -1 3 350.426 3.236 20 0 FGADHM Cc1ccc(C[C@@H](C)NC(=O)Nc2cccc(-c3nn[n-]n3)c2)c(C)c1 ZINC000737334887 598540925 /nfs/dbraw/zinc/54/09/25/598540925.db2.gz OACZEBXTZXINHR-CQSZACIVSA-N -1 3 350.426 3.236 20 0 FGADHM CSC[C@H](C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000737179827 598552281 /nfs/dbraw/zinc/55/22/81/598552281.db2.gz MTXRUPLGEFWFRS-VIFPVBQESA-N -1 3 351.501 3.135 20 0 FGADHM CSC[C@H](C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000737179827 598552282 /nfs/dbraw/zinc/55/22/82/598552282.db2.gz MTXRUPLGEFWFRS-VIFPVBQESA-N -1 3 351.501 3.135 20 0 FGADHM O=C(NC1CCCCCCC1)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738027338 598570751 /nfs/dbraw/zinc/57/07/51/598570751.db2.gz ZZULZSYSGWUWMV-GOSISDBHSA-N -1 3 368.485 3.065 20 0 FGADHM Cc1c(C(=O)Nc2ccccc2-c2nnn[n-]2)sc2nccc(C)c12 ZINC000737444508 598574886 /nfs/dbraw/zinc/57/48/86/598574886.db2.gz MIOIQELADKXODK-UHFFFAOYSA-N -1 3 350.407 3.346 20 0 FGADHM Cc1c(C(=O)Nc2ccccc2-c2nn[n-]n2)sc2nccc(C)c12 ZINC000737444508 598574888 /nfs/dbraw/zinc/57/48/88/598574888.db2.gz MIOIQELADKXODK-UHFFFAOYSA-N -1 3 350.407 3.346 20 0 FGADHM Cc1ncc(CN(C)c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)s1 ZINC000737491316 598576318 /nfs/dbraw/zinc/57/63/18/598576318.db2.gz HMHHLRISXURZIP-UHFFFAOYSA-N -1 3 354.361 3.287 20 0 FGADHM Cc1ncc(CN(C)c2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)s1 ZINC000737491316 598576320 /nfs/dbraw/zinc/57/63/20/598576320.db2.gz HMHHLRISXURZIP-UHFFFAOYSA-N -1 3 354.361 3.287 20 0 FGADHM CCCCCC[C@H](C)NC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000736447227 598580438 /nfs/dbraw/zinc/58/04/38/598580438.db2.gz SEHCOKITROQJBY-YJBOKZPZSA-N -1 3 370.501 3.311 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1cc(Cl)nc2ccccc21 ZINC000738167211 598589481 /nfs/dbraw/zinc/58/94/81/598589481.db2.gz PFUKYDAQRFZNCG-UHFFFAOYSA-N -1 3 368.759 3.460 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1cc(Cl)nc2ccccc21 ZINC000738167211 598589483 /nfs/dbraw/zinc/58/94/83/598589483.db2.gz PFUKYDAQRFZNCG-UHFFFAOYSA-N -1 3 368.759 3.460 20 0 FGADHM CCC(CC)CN(CC)C(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000736336223 598595048 /nfs/dbraw/zinc/59/50/48/598595048.db2.gz AZMSMGKOCLOFJX-SFHVURJKSA-N -1 3 370.501 3.120 20 0 FGADHM COc1cc(C)c(NCCCOc2ccc(-c3nn[n-]n3)cc2)cc1OC ZINC000737041469 598602012 /nfs/dbraw/zinc/60/20/12/598602012.db2.gz ULIJRAHKLKKHEW-UHFFFAOYSA-N -1 3 369.425 3.073 20 0 FGADHM Cc1ccc(Cl)cc1NC(=O)CNc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737342524 598603531 /nfs/dbraw/zinc/60/35/31/598603531.db2.gz GMNVDLNQUVWSLU-UHFFFAOYSA-N -1 3 360.780 3.018 20 0 FGADHM Cc1ccc(Cl)cc1NC(=O)CNc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737342524 598603532 /nfs/dbraw/zinc/60/35/32/598603532.db2.gz GMNVDLNQUVWSLU-UHFFFAOYSA-N -1 3 360.780 3.018 20 0 FGADHM C[C@H](COc1cccc(F)c1)OC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000736037016 598606526 /nfs/dbraw/zinc/60/65/26/598606526.db2.gz BXDGQGZQYGBYGX-WTNCMQEWSA-N -1 3 368.368 3.030 20 0 FGADHM C[C@H](COc1cccc(F)c1)OC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000736037016 598606528 /nfs/dbraw/zinc/60/65/28/598606528.db2.gz BXDGQGZQYGBYGX-WTNCMQEWSA-N -1 3 368.368 3.030 20 0 FGADHM CCCc1noc(-c2cccc(OCc3ccccc3-c3nnn[n-]3)c2)n1 ZINC000736500139 598609452 /nfs/dbraw/zinc/60/94/52/598609452.db2.gz MXGNLUJUDWGWBD-UHFFFAOYSA-N -1 3 362.393 3.448 20 0 FGADHM CCCc1noc(-c2cccc(OCc3ccccc3-c3nn[n-]n3)c2)n1 ZINC000736500139 598609453 /nfs/dbraw/zinc/60/94/53/598609453.db2.gz MXGNLUJUDWGWBD-UHFFFAOYSA-N -1 3 362.393 3.448 20 0 FGADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)c1nc(-c2cccc(F)c2)no1 ZINC000736189959 598612256 /nfs/dbraw/zinc/61/22/56/598612256.db2.gz VBWZJUBFBIVBHM-JTQLQIEISA-N -1 3 352.329 3.196 20 0 FGADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)c1nc(-c2cccc(F)c2)no1 ZINC000736189959 598612258 /nfs/dbraw/zinc/61/22/58/598612258.db2.gz VBWZJUBFBIVBHM-JTQLQIEISA-N -1 3 352.329 3.196 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N[C@H]1CCCOc2ccccc21 ZINC000738165317 598626945 /nfs/dbraw/zinc/62/69/45/598626945.db2.gz BZWOGFMQBMESIP-HNNXBMFYSA-N -1 3 368.372 3.041 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N[C@H]1CCCOc2ccccc21 ZINC000738165317 598626946 /nfs/dbraw/zinc/62/69/46/598626946.db2.gz BZWOGFMQBMESIP-HNNXBMFYSA-N -1 3 368.372 3.041 20 0 FGADHM COc1ccc(OCCN(C)c2c(Cl)cccc2-c2nnn[n-]2)cc1 ZINC000737109643 598630833 /nfs/dbraw/zinc/63/08/33/598630833.db2.gz KJTZKGLWQPZWLI-UHFFFAOYSA-N -1 3 359.817 3.044 20 0 FGADHM COc1ccc(OCCN(C)c2c(Cl)cccc2-c2nn[n-]n2)cc1 ZINC000737109643 598630835 /nfs/dbraw/zinc/63/08/35/598630835.db2.gz KJTZKGLWQPZWLI-UHFFFAOYSA-N -1 3 359.817 3.044 20 0 FGADHM C[C@@H]1CN(c2cc(Cl)ccc2-c2nnn[n-]2)C[C@H](c2ccccc2)O1 ZINC000736290214 598634034 /nfs/dbraw/zinc/63/40/34/598634034.db2.gz QDQNCPVWDDCEAE-SJKOYZFVSA-N -1 3 355.829 3.487 20 0 FGADHM C[C@@H]1CN(c2cc(Cl)ccc2-c2nn[n-]n2)C[C@H](c2ccccc2)O1 ZINC000736290214 598634035 /nfs/dbraw/zinc/63/40/35/598634035.db2.gz QDQNCPVWDDCEAE-SJKOYZFVSA-N -1 3 355.829 3.487 20 0 FGADHM O=C(O[C@@H](c1ccccc1)c1cccnc1)c1cccc(-c2nnn[n-]2)c1 ZINC000738216412 598642621 /nfs/dbraw/zinc/64/26/21/598642621.db2.gz ZDMOSQUGUFLIOR-SFHVURJKSA-N -1 3 357.373 3.208 20 0 FGADHM O=C(O[C@@H](c1ccccc1)c1cccnc1)c1cccc(-c2nn[n-]n2)c1 ZINC000738216412 598642623 /nfs/dbraw/zinc/64/26/23/598642623.db2.gz ZDMOSQUGUFLIOR-SFHVURJKSA-N -1 3 357.373 3.208 20 0 FGADHM CCSc1nnc(SCc2ccc(F)cc2-c2nnn[n-]2)s1 ZINC000736665761 598642816 /nfs/dbraw/zinc/64/28/16/598642816.db2.gz HXTZAPYDDVSKMT-UHFFFAOYSA-N -1 3 354.461 3.262 20 0 FGADHM CCSc1nnc(SCc2ccc(F)cc2-c2nn[n-]n2)s1 ZINC000736665761 598642818 /nfs/dbraw/zinc/64/28/18/598642818.db2.gz HXTZAPYDDVSKMT-UHFFFAOYSA-N -1 3 354.461 3.262 20 0 FGADHM COC(=O)c1ccc(OCc2ccc(F)cc2-c2nnn[n-]2)c(Cl)c1 ZINC000736949459 598643189 /nfs/dbraw/zinc/64/31/89/598643189.db2.gz SDZAHPJQDPNGGM-UHFFFAOYSA-N -1 3 362.748 3.025 20 0 FGADHM COC(=O)c1ccc(OCc2ccc(F)cc2-c2nn[n-]n2)c(Cl)c1 ZINC000736949459 598643190 /nfs/dbraw/zinc/64/31/90/598643190.db2.gz SDZAHPJQDPNGGM-UHFFFAOYSA-N -1 3 362.748 3.025 20 0 FGADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)NCCC1CCCC1 ZINC000737833461 598650554 /nfs/dbraw/zinc/65/05/54/598650554.db2.gz SHOGIZYTMSBPTG-UHFFFAOYSA-N -1 3 357.458 3.112 20 0 FGADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)NCCC1CCCC1 ZINC000737833461 598650555 /nfs/dbraw/zinc/65/05/55/598650555.db2.gz SHOGIZYTMSBPTG-UHFFFAOYSA-N -1 3 357.458 3.112 20 0 FGADHM O=C(Cc1cccnc1)Nc1sc2c(c1-c1nnn[n-]1)CCCCCC2 ZINC000737974473 598653649 /nfs/dbraw/zinc/65/36/49/598653649.db2.gz BNMVQFUNFKMCNV-UHFFFAOYSA-N -1 3 368.466 3.163 20 0 FGADHM O=C(Cc1cccnc1)Nc1sc2c(c1-c1nn[n-]n1)CCCCCC2 ZINC000737974473 598653651 /nfs/dbraw/zinc/65/36/51/598653651.db2.gz BNMVQFUNFKMCNV-UHFFFAOYSA-N -1 3 368.466 3.163 20 0 FGADHM C[C@H]1CCC[C@@H](CNC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)C1 ZINC000736254094 598654528 /nfs/dbraw/zinc/65/45/28/598654528.db2.gz XSVVLAXEZATAOK-JKSUJKDBSA-N -1 3 371.485 3.358 20 0 FGADHM C[C@H]1CCC[C@@H](CNC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)C1 ZINC000736254094 598654529 /nfs/dbraw/zinc/65/45/29/598654529.db2.gz XSVVLAXEZATAOK-JKSUJKDBSA-N -1 3 371.485 3.358 20 0 FGADHM CCOc1ccc(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)c(C)c1 ZINC000736648060 598654871 /nfs/dbraw/zinc/65/48/71/598654871.db2.gz XFQAGDHUHUJXLO-UHFFFAOYSA-N -1 3 369.450 3.305 20 0 FGADHM CCOc1ccc(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)c(C)c1 ZINC000736648060 598654872 /nfs/dbraw/zinc/65/48/72/598654872.db2.gz XFQAGDHUHUJXLO-UHFFFAOYSA-N -1 3 369.450 3.305 20 0 FGADHM FC(F)(F)CO[C@H]1CCCN(c2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000737627215 598655190 /nfs/dbraw/zinc/65/51/90/598655190.db2.gz NNDNMSFQGNLBKD-JTQLQIEISA-N -1 3 361.755 3.068 20 0 FGADHM FC(F)(F)CO[C@H]1CCCN(c2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000737627215 598655191 /nfs/dbraw/zinc/65/51/91/598655191.db2.gz NNDNMSFQGNLBKD-JTQLQIEISA-N -1 3 361.755 3.068 20 0 FGADHM Cc1ccc(N(C)C(=O)CSc2ccc(-c3nnn[n-]3)cc2)c(C)c1 ZINC000737346038 598655864 /nfs/dbraw/zinc/65/58/64/598655864.db2.gz CAOJDXAQLPOVKY-UHFFFAOYSA-N -1 3 353.451 3.239 20 0 FGADHM Cc1ccc(N(C)C(=O)CSc2ccc(-c3nn[n-]n3)cc2)c(C)c1 ZINC000737346038 598655865 /nfs/dbraw/zinc/65/58/65/598655865.db2.gz CAOJDXAQLPOVKY-UHFFFAOYSA-N -1 3 353.451 3.239 20 0 FGADHM CCCC(C)(C)NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000736414961 598655969 /nfs/dbraw/zinc/65/59/69/598655969.db2.gz CBOVTKRRZGHIPR-UHFFFAOYSA-N -1 3 366.425 3.363 20 0 FGADHM CCCC(C)(C)NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000736414961 598655971 /nfs/dbraw/zinc/65/59/71/598655971.db2.gz CBOVTKRRZGHIPR-UHFFFAOYSA-N -1 3 366.425 3.363 20 0 FGADHM CCC[C@H](CC)NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000736421968 598656189 /nfs/dbraw/zinc/65/61/89/598656189.db2.gz DEOPIEPYDWEQJB-HNNXBMFYSA-N -1 3 366.425 3.363 20 0 FGADHM CCC[C@H](CC)NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000736421968 598656191 /nfs/dbraw/zinc/65/61/91/598656191.db2.gz DEOPIEPYDWEQJB-HNNXBMFYSA-N -1 3 366.425 3.363 20 0 FGADHM CC[C@H](Sc1ccccc1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC000736393342 598656406 /nfs/dbraw/zinc/65/64/06/598656406.db2.gz XIPFSOXQBANKGD-INIZCTEOSA-N -1 3 369.450 3.385 20 0 FGADHM CC[C@H](Sc1ccccc1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC000736393342 598656409 /nfs/dbraw/zinc/65/64/09/598656409.db2.gz XIPFSOXQBANKGD-INIZCTEOSA-N -1 3 369.450 3.385 20 0 FGADHM C[C@H](CSc1ccccc1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736049145 598657411 /nfs/dbraw/zinc/65/74/11/598657411.db2.gz YPSNQHFSMQSIQZ-LLVKDONJSA-N -1 3 357.414 3.373 20 0 FGADHM C[C@H](CSc1ccccc1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736049145 598657413 /nfs/dbraw/zinc/65/74/13/598657413.db2.gz YPSNQHFSMQSIQZ-LLVKDONJSA-N -1 3 357.414 3.373 20 0 FGADHM CC(C)N(C(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1)C(C)C ZINC000735857223 598664318 /nfs/dbraw/zinc/66/43/18/598664318.db2.gz PEJUEVNHMNRNPL-UHFFFAOYSA-N -1 3 369.425 3.298 20 0 FGADHM CC(C)N(C(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1)C(C)C ZINC000735857223 598664319 /nfs/dbraw/zinc/66/43/19/598664319.db2.gz PEJUEVNHMNRNPL-UHFFFAOYSA-N -1 3 369.425 3.298 20 0 FGADHM CC(C)(C)[C@@H]1CCCN1C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000735596542 598664491 /nfs/dbraw/zinc/66/44/91/598664491.db2.gz KBWQFQMITDWKTQ-KRWDZBQOSA-N -1 3 371.485 3.453 20 0 FGADHM CC(C)(C)[C@@H]1CCCN1C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000735596542 598664493 /nfs/dbraw/zinc/66/44/93/598664493.db2.gz KBWQFQMITDWKTQ-KRWDZBQOSA-N -1 3 371.485 3.453 20 0 FGADHM O=C(Cc1cccnc1)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737974852 598665542 /nfs/dbraw/zinc/66/55/42/598665542.db2.gz JNBYFBBGPQRCQM-UHFFFAOYSA-N -1 3 372.388 3.235 20 0 FGADHM O=C(Nc1ccccn1)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738196046 598665670 /nfs/dbraw/zinc/66/56/70/598665670.db2.gz LMOXNVYDRPCJKB-UHFFFAOYSA-N -1 3 358.361 3.306 20 0 FGADHM COc1ccccc1OCCCNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737151525 598672662 /nfs/dbraw/zinc/67/26/62/598672662.db2.gz FSESHOACKXYIQJ-UHFFFAOYSA-N -1 3 359.817 3.410 20 0 FGADHM COc1ccccc1OCCCNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737151525 598672663 /nfs/dbraw/zinc/67/26/63/598672663.db2.gz FSESHOACKXYIQJ-UHFFFAOYSA-N -1 3 359.817 3.410 20 0 FGADHM Cc1cc(N2CCC[C@H]2C2CC2)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000737271644 598673386 /nfs/dbraw/zinc/67/33/86/598673386.db2.gz MVBRDLHFGOSURM-HNNXBMFYSA-N -1 3 359.437 3.355 20 0 FGADHM Cc1cc(N2CCC[C@H]2C2CC2)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC000737271644 598673388 /nfs/dbraw/zinc/67/33/88/598673388.db2.gz MVBRDLHFGOSURM-HNNXBMFYSA-N -1 3 359.437 3.355 20 0 FGADHM Fc1ccc(CN2CCn3cccc3[C@@H]2c2ccccc2)c(-c2nnn[n-]2)c1 ZINC000737649554 598680417 /nfs/dbraw/zinc/68/04/17/598680417.db2.gz PJOMYYXRJXVLKN-FQEVSTJZSA-N -1 3 374.423 3.413 20 0 FGADHM Fc1ccc(CN2CCn3cccc3[C@@H]2c2ccccc2)c(-c2nn[n-]n2)c1 ZINC000737649554 598680419 /nfs/dbraw/zinc/68/04/19/598680419.db2.gz PJOMYYXRJXVLKN-FQEVSTJZSA-N -1 3 374.423 3.413 20 0 FGADHM C[C@@H](SCc1ccc(F)cc1-c1nnn[n-]1)C(=O)Nc1ccccc1 ZINC000736192174 598695877 /nfs/dbraw/zinc/69/58/77/598695877.db2.gz LHKKHPQAZGCRHK-LLVKDONJSA-N -1 3 357.414 3.266 20 0 FGADHM C[C@@H](SCc1ccc(F)cc1-c1nn[n-]n1)C(=O)Nc1ccccc1 ZINC000736192174 598695879 /nfs/dbraw/zinc/69/58/79/598695879.db2.gz LHKKHPQAZGCRHK-LLVKDONJSA-N -1 3 357.414 3.266 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N1CCCC2(CCCCC2)C1 ZINC000737795936 598699137 /nfs/dbraw/zinc/69/91/37/598699137.db2.gz CSNBPUIKZWCVKK-MDZDMXLPSA-N -1 3 351.454 3.453 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N1CCCC2(CCCCC2)C1 ZINC000737795936 598699138 /nfs/dbraw/zinc/69/91/38/598699138.db2.gz CSNBPUIKZWCVKK-MDZDMXLPSA-N -1 3 351.454 3.453 20 0 FGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@@H]1C1CC1 ZINC000735904797 598716730 /nfs/dbraw/zinc/71/67/30/598716730.db2.gz BNIQNESCVHVLSW-OAHLLOKOSA-N -1 3 356.430 3.060 20 0 FGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@@H]1C1CC1 ZINC000735904797 598716732 /nfs/dbraw/zinc/71/67/32/598716732.db2.gz BNIQNESCVHVLSW-OAHLLOKOSA-N -1 3 356.430 3.060 20 0 FGADHM CCSc1ccc([C@H](C)NC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736668477 598745738 /nfs/dbraw/zinc/74/57/38/598745738.db2.gz ZZXBMOPHYOVMPP-LBPRGKRZSA-N -1 3 353.451 3.470 20 0 FGADHM CCSc1ccc([C@H](C)NC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736668477 598745739 /nfs/dbraw/zinc/74/57/39/598745739.db2.gz ZZXBMOPHYOVMPP-LBPRGKRZSA-N -1 3 353.451 3.470 20 0 FGADHM O=C(CC1CCCCC1)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737811499 598747218 /nfs/dbraw/zinc/74/72/18/598747218.db2.gz CHBGOMCWVPHQCQ-UHFFFAOYSA-N -1 3 369.469 3.207 20 0 FGADHM C[C@@H](Cc1ccccc1)C(=O)OCc1cn2ccccc2c1-c1nnn[n-]1 ZINC000736058838 598750362 /nfs/dbraw/zinc/75/03/62/598750362.db2.gz PSRVLNCXVMILGV-AWEZNQCLSA-N -1 3 361.405 3.041 20 0 FGADHM C[C@@H](Cc1ccccc1)C(=O)OCc1cn2ccccc2c1-c1nn[n-]n1 ZINC000736058838 598750363 /nfs/dbraw/zinc/75/03/63/598750363.db2.gz PSRVLNCXVMILGV-AWEZNQCLSA-N -1 3 361.405 3.041 20 0 FGADHM O=C(OCC1CCOCC1)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000738223462 598751497 /nfs/dbraw/zinc/75/14/97/598751497.db2.gz YKLYZWHJOAPMCB-UHFFFAOYSA-N -1 3 364.405 3.117 20 0 FGADHM O=C(OCC1CCOCC1)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000738223462 598751498 /nfs/dbraw/zinc/75/14/98/598751498.db2.gz YKLYZWHJOAPMCB-UHFFFAOYSA-N -1 3 364.405 3.117 20 0 FGADHM CSc1ccc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)o1 ZINC000737192890 598764970 /nfs/dbraw/zinc/76/49/70/598764970.db2.gz LKAWBPQPLLHEGV-UHFFFAOYSA-N -1 3 367.337 3.035 20 0 FGADHM CSc1ccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)o1 ZINC000737192890 598764972 /nfs/dbraw/zinc/76/49/72/598764972.db2.gz LKAWBPQPLLHEGV-UHFFFAOYSA-N -1 3 367.337 3.035 20 0 FGADHM Clc1ccccc1[C@H]1CN(Cc2ccccc2-c2nnn[n-]2)CCO1 ZINC000737583926 598765401 /nfs/dbraw/zinc/76/54/01/598765401.db2.gz OCZQQTCVTIZUSH-QGZVFWFLSA-N -1 3 355.829 3.094 20 0 FGADHM Clc1ccccc1[C@H]1CN(Cc2ccccc2-c2nn[n-]n2)CCO1 ZINC000737583926 598765403 /nfs/dbraw/zinc/76/54/03/598765403.db2.gz OCZQQTCVTIZUSH-QGZVFWFLSA-N -1 3 355.829 3.094 20 0 FGADHM CC(C)Oc1ccc(NC(=S)NC2CCCCC2)cc1-c1nnn[n-]1 ZINC000820173363 607366745 /nfs/dbraw/zinc/36/67/45/607366745.db2.gz BPMVGFIZOSURMX-UHFFFAOYSA-N -1 3 360.487 3.273 20 0 FGADHM CC(C)Oc1ccc(NC(=S)NC2CCCCC2)cc1-c1nn[n-]n1 ZINC000820173363 607366746 /nfs/dbraw/zinc/36/67/46/607366746.db2.gz BPMVGFIZOSURMX-UHFFFAOYSA-N -1 3 360.487 3.273 20 0 FGADHM CC(C)CC(CC(C)C)NC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000735761867 598776808 /nfs/dbraw/zinc/77/68/08/598776808.db2.gz QPFOUJOCGWRQML-UHFFFAOYSA-N -1 3 358.490 3.469 20 0 FGADHM CC(C)CC(CC(C)C)NC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000735761867 598776809 /nfs/dbraw/zinc/77/68/09/598776809.db2.gz QPFOUJOCGWRQML-UHFFFAOYSA-N -1 3 358.490 3.469 20 0 FGADHM Clc1ccc(NCc2ccc(-n3ccnc3)cc2)c(-c2nnn[n-]2)c1 ZINC000737572944 598794653 /nfs/dbraw/zinc/79/46/53/598794653.db2.gz BTNTZBCXISOUHC-UHFFFAOYSA-N -1 3 351.801 3.318 20 0 FGADHM Clc1ccc(NCc2ccc(-n3ccnc3)cc2)c(-c2nn[n-]n2)c1 ZINC000737572944 598794654 /nfs/dbraw/zinc/79/46/54/598794654.db2.gz BTNTZBCXISOUHC-UHFFFAOYSA-N -1 3 351.801 3.318 20 0 FGADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)OC[C@H]1CCCc2ccccc21 ZINC000737852800 598799067 /nfs/dbraw/zinc/79/90/67/598799067.db2.gz GYNSZKBIZIBTMP-GOSISDBHSA-N -1 3 362.433 3.463 20 0 FGADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)OC[C@H]1CCCc2ccccc21 ZINC000737852800 598799070 /nfs/dbraw/zinc/79/90/70/598799070.db2.gz GYNSZKBIZIBTMP-GOSISDBHSA-N -1 3 362.433 3.463 20 0 FGADHM Cc1c(C(=O)Nc2ccc(-c3nnn[n-]3)cn2)sc2cccc(F)c12 ZINC000737214778 598804538 /nfs/dbraw/zinc/80/45/38/598804538.db2.gz QYMFQCAXWSZZCX-UHFFFAOYSA-N -1 3 354.370 3.176 20 0 FGADHM Cc1c(C(=O)Nc2ccc(-c3nn[n-]n3)cn2)sc2cccc(F)c12 ZINC000737214778 598804539 /nfs/dbraw/zinc/80/45/39/598804539.db2.gz QYMFQCAXWSZZCX-UHFFFAOYSA-N -1 3 354.370 3.176 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cn1)c1ccccc1Oc1ccccc1 ZINC000738149723 598805114 /nfs/dbraw/zinc/80/51/14/598805114.db2.gz GIHLRMDWMYHSDS-UHFFFAOYSA-N -1 3 358.361 3.306 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cn1)c1ccccc1Oc1ccccc1 ZINC000738149723 598805115 /nfs/dbraw/zinc/80/51/15/598805115.db2.gz GIHLRMDWMYHSDS-UHFFFAOYSA-N -1 3 358.361 3.306 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cn1)c1ccc(SC(F)(F)F)cc1 ZINC000738151853 598805569 /nfs/dbraw/zinc/80/55/69/598805569.db2.gz YPOCPNKJBLZBBO-UHFFFAOYSA-N -1 3 366.328 3.126 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cn1)c1ccc(SC(F)(F)F)cc1 ZINC000738151853 598805570 /nfs/dbraw/zinc/80/55/70/598805570.db2.gz YPOCPNKJBLZBBO-UHFFFAOYSA-N -1 3 366.328 3.126 20 0 FGADHM COc1ccccc1[C@@H](Nc1ncccc1-c1nnn[n-]1)c1ccccc1 ZINC000737145648 598816484 /nfs/dbraw/zinc/81/64/84/598816484.db2.gz DKOXXPDAKFEJDM-SFHVURJKSA-N -1 3 358.405 3.472 20 0 FGADHM COc1ccccc1[C@@H](Nc1ncccc1-c1nn[n-]n1)c1ccccc1 ZINC000737145648 598816485 /nfs/dbraw/zinc/81/64/85/598816485.db2.gz DKOXXPDAKFEJDM-SFHVURJKSA-N -1 3 358.405 3.472 20 0 FGADHM CCC[C@H]1CCc2c(sc(=O)n2Cc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000736434039 598818335 /nfs/dbraw/zinc/81/83/35/598818335.db2.gz CDVXKWSAZAJXSL-NSHDSACASA-N -1 3 373.457 3.182 20 0 FGADHM CCC[C@H]1CCc2c(sc(=O)n2Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000736434039 598818336 /nfs/dbraw/zinc/81/83/36/598818336.db2.gz CDVXKWSAZAJXSL-NSHDSACASA-N -1 3 373.457 3.182 20 0 FGADHM CC(C)C(C)(C)NC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820017302 599293516 /nfs/dbraw/zinc/29/35/16/599293516.db2.gz VALFAYVFWYGHQH-UHFFFAOYSA-N -1 3 356.352 3.442 20 0 FGADHM CC(C)C(C)(C)NC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820017302 599293518 /nfs/dbraw/zinc/29/35/18/599293518.db2.gz VALFAYVFWYGHQH-UHFFFAOYSA-N -1 3 356.352 3.442 20 0 FGADHM CN(C(=O)Cc1coc2cc3c(cc12)CCC3)c1ccc(-c2nnn[n-]2)cc1 ZINC000736738667 599310764 /nfs/dbraw/zinc/31/07/64/599310764.db2.gz GEQNWCPSUILLRP-UHFFFAOYSA-N -1 3 373.416 3.307 20 0 FGADHM CN(C(=O)Cc1coc2cc3c(cc12)CCC3)c1ccc(-c2nn[n-]n2)cc1 ZINC000736738667 599310765 /nfs/dbraw/zinc/31/07/65/599310765.db2.gz GEQNWCPSUILLRP-UHFFFAOYSA-N -1 3 373.416 3.307 20 0 FGADHM C[C@H](SCC(=O)NCc1cccs1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736192375 599330936 /nfs/dbraw/zinc/33/09/36/599330936.db2.gz YPPJXAMDBGTHSR-NSHDSACASA-N -1 3 359.480 3.039 20 0 FGADHM C[C@H](SCC(=O)NCc1cccs1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736192375 599330939 /nfs/dbraw/zinc/33/09/39/599330939.db2.gz YPPJXAMDBGTHSR-NSHDSACASA-N -1 3 359.480 3.039 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1CNc1cccc(Br)c1 ZINC000821737077 607369652 /nfs/dbraw/zinc/36/96/52/607369652.db2.gz RLBGDCRWMYMZFM-UHFFFAOYSA-N -1 3 360.215 3.250 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1CNc1cccc(Br)c1 ZINC000821737077 607369653 /nfs/dbraw/zinc/36/96/53/607369653.db2.gz RLBGDCRWMYMZFM-UHFFFAOYSA-N -1 3 360.215 3.250 20 0 FGADHM CC(C)[C@H](Sc1ccccc1-c1nnn[n-]1)C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000820650162 599347494 /nfs/dbraw/zinc/34/74/94/599347494.db2.gz RHFLRFUPZUQABM-CPUCHLNUSA-N -1 3 373.526 3.488 20 0 FGADHM CC(C)[C@H](Sc1ccccc1-c1nn[n-]n1)C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000820650162 599347497 /nfs/dbraw/zinc/34/74/97/599347497.db2.gz RHFLRFUPZUQABM-CPUCHLNUSA-N -1 3 373.526 3.488 20 0 FGADHM CSCCCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000737181057 599370031 /nfs/dbraw/zinc/37/00/31/599370031.db2.gz JXEWPJQHDHVNSD-UHFFFAOYSA-N -1 3 351.501 3.279 20 0 FGADHM COC(=O)N(C)c1ccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821663899 599371658 /nfs/dbraw/zinc/37/16/58/599371658.db2.gz SPSSUNCHUIRCOX-LBPRGKRZSA-N -1 3 352.398 3.242 20 0 FGADHM COC(=O)N(C)c1ccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821663899 599371661 /nfs/dbraw/zinc/37/16/61/599371661.db2.gz SPSSUNCHUIRCOX-LBPRGKRZSA-N -1 3 352.398 3.242 20 0 FGADHM CSCCCCNC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000737180572 599379001 /nfs/dbraw/zinc/37/90/01/599379001.db2.gz AIKOQPDSJZSHMB-UHFFFAOYSA-N -1 3 367.478 3.407 20 0 FGADHM CSCCCCNC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000737180572 599379003 /nfs/dbraw/zinc/37/90/03/599379003.db2.gz AIKOQPDSJZSHMB-UHFFFAOYSA-N -1 3 367.478 3.407 20 0 FGADHM O=C(c1sccc1-c1nnn[n-]1)N1CCC(c2ccccc2F)CC1 ZINC000738291497 599379431 /nfs/dbraw/zinc/37/94/31/599379431.db2.gz HAWHWYXGKGBSEO-UHFFFAOYSA-N -1 3 357.414 3.087 20 0 FGADHM O=C(c1sccc1-c1nn[n-]n1)N1CCC(c2ccccc2F)CC1 ZINC000738291497 599379434 /nfs/dbraw/zinc/37/94/34/599379434.db2.gz HAWHWYXGKGBSEO-UHFFFAOYSA-N -1 3 357.414 3.087 20 0 FGADHM CCN(CC)C(=O)c1cccc(OCc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000821175895 599386783 /nfs/dbraw/zinc/38/67/83/599386783.db2.gz YLFNQMDJDLNIJC-UHFFFAOYSA-N -1 3 369.400 3.067 20 0 FGADHM CCN(CC)C(=O)c1cccc(OCc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000821175895 599386786 /nfs/dbraw/zinc/38/67/86/599386786.db2.gz YLFNQMDJDLNIJC-UHFFFAOYSA-N -1 3 369.400 3.067 20 0 FGADHM COc1ccc(CN[C@H](c2ccco2)c2ccccc2)cc1-c1nnn[n-]1 ZINC000821804382 599396379 /nfs/dbraw/zinc/39/63/79/599396379.db2.gz MJJGGMPVACVWFY-IBGZPJMESA-N -1 3 361.405 3.348 20 0 FGADHM COc1ccc(CN[C@H](c2ccco2)c2ccccc2)cc1-c1nn[n-]n1 ZINC000821804382 599396381 /nfs/dbraw/zinc/39/63/81/599396381.db2.gz MJJGGMPVACVWFY-IBGZPJMESA-N -1 3 361.405 3.348 20 0 FGADHM C[C@@H](NC(=O)N[C@@H](C)c1ccc(F)c(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820351244 599398212 /nfs/dbraw/zinc/39/82/12/599398212.db2.gz NMICWAFVMYVLHB-MNOVXSKESA-N -1 3 372.379 3.266 20 0 FGADHM C[C@@H](NC(=O)N[C@@H](C)c1ccc(F)c(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820351244 599398214 /nfs/dbraw/zinc/39/82/14/599398214.db2.gz NMICWAFVMYVLHB-MNOVXSKESA-N -1 3 372.379 3.266 20 0 FGADHM COc1cc([C@H](C)NCc2ccc(-c3nnn[n-]3)o2)ccc1OC(C)C ZINC000821707837 599400421 /nfs/dbraw/zinc/40/04/21/599400421.db2.gz FSYNZHSRLGLJDG-LBPRGKRZSA-N -1 3 357.414 3.106 20 0 FGADHM C[C@@H]1CN(c2cc(-c3nnn[n-]3)c3ccccc3n2)C[C@H](c2ccccc2)O1 ZINC000736286298 599418561 /nfs/dbraw/zinc/41/85/61/599418561.db2.gz BLJQBEYHAHFIEZ-AUUYWEPGSA-N -1 3 372.432 3.381 20 0 FGADHM C[C@@H]1CN(c2cc(-c3nn[n-]n3)c3ccccc3n2)C[C@H](c2ccccc2)O1 ZINC000736286298 599418565 /nfs/dbraw/zinc/41/85/65/599418565.db2.gz BLJQBEYHAHFIEZ-AUUYWEPGSA-N -1 3 372.432 3.381 20 0 FGADHM C[C@@H]1CN(c2cc(-c3nnn[n-]3)c3ccccc3n2)C[C@@H](c2ccccc2)O1 ZINC000736286303 599419147 /nfs/dbraw/zinc/41/91/47/599419147.db2.gz BLJQBEYHAHFIEZ-KUHUBIRLSA-N -1 3 372.432 3.381 20 0 FGADHM C[C@@H]1CN(c2cc(-c3nn[n-]n3)c3ccccc3n2)C[C@@H](c2ccccc2)O1 ZINC000736286303 599419148 /nfs/dbraw/zinc/41/91/48/599419148.db2.gz BLJQBEYHAHFIEZ-KUHUBIRLSA-N -1 3 372.432 3.381 20 0 FGADHM C[C@H](NC(=O)N[C@H]1CCc2c1cccc2F)c1cccc(-c2nnn[n-]2)c1 ZINC000820356618 599422595 /nfs/dbraw/zinc/42/25/95/599422595.db2.gz ALDDJDIRUXXKIR-GTNSWQLSSA-N -1 3 366.400 3.054 20 0 FGADHM C[C@H](NC(=O)N[C@H]1CCc2c1cccc2F)c1cccc(-c2nn[n-]n2)c1 ZINC000820356618 599422598 /nfs/dbraw/zinc/42/25/98/599422598.db2.gz ALDDJDIRUXXKIR-GTNSWQLSSA-N -1 3 366.400 3.054 20 0 FGADHM Cc1ccccc1C[C@H](C)NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822356470 599423035 /nfs/dbraw/zinc/42/30/35/599423035.db2.gz UHOXNBIMCJOKSG-GJZGRUSLSA-N -1 3 364.453 3.167 20 0 FGADHM Cc1ccccc1C[C@H](C)NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822356470 599423038 /nfs/dbraw/zinc/42/30/38/599423038.db2.gz UHOXNBIMCJOKSG-GJZGRUSLSA-N -1 3 364.453 3.167 20 0 FGADHM C[C@H](NC(=O)NCc1c(F)cccc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000820366959 599423913 /nfs/dbraw/zinc/42/39/13/599423913.db2.gz QPFHREFLIUJXRZ-JTQLQIEISA-N -1 3 374.807 3.220 20 0 FGADHM C[C@H](NC(=O)NCc1c(F)cccc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000820366959 599423915 /nfs/dbraw/zinc/42/39/15/599423915.db2.gz QPFHREFLIUJXRZ-JTQLQIEISA-N -1 3 374.807 3.220 20 0 FGADHM c1cc(-c2nnn[n-]2)oc1CNCc1ccc(-n2cnc3ccccc32)cc1 ZINC000823802563 599424374 /nfs/dbraw/zinc/42/43/74/599424374.db2.gz SMVRSXZBCKIMEA-UHFFFAOYSA-N -1 3 371.404 3.088 20 0 FGADHM Cc1ccc([C@@H](C)NC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1C ZINC000822229694 599426069 /nfs/dbraw/zinc/42/60/69/599426069.db2.gz ZTYFODFXTVWYLI-CYBMUJFWSA-N -1 3 368.416 3.183 20 0 FGADHM Cc1ccc([C@@H](C)NC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1C ZINC000822229694 599426071 /nfs/dbraw/zinc/42/60/71/599426071.db2.gz ZTYFODFXTVWYLI-CYBMUJFWSA-N -1 3 368.416 3.183 20 0 FGADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)N1CCC2(CCCCC2)CC1 ZINC000823232950 599461797 /nfs/dbraw/zinc/46/17/97/599461797.db2.gz BHCIRLAZWKGCCP-UHFFFAOYSA-N -1 3 372.448 3.262 20 0 FGADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)N1CCC2(CCCCC2)CC1 ZINC000823232950 599461800 /nfs/dbraw/zinc/46/18/00/599461800.db2.gz BHCIRLAZWKGCCP-UHFFFAOYSA-N -1 3 372.448 3.262 20 0 FGADHM Cc1c(NC(=O)Nc2cccc(-c3nnn[n-]3)c2)cnn1-c1ccccc1 ZINC000822105477 607380600 /nfs/dbraw/zinc/38/06/00/607380600.db2.gz UYDDDVSLFCENPP-UHFFFAOYSA-N -1 3 360.381 3.005 20 0 FGADHM Cc1c(NC(=O)Nc2cccc(-c3nn[n-]n3)c2)cnn1-c1ccccc1 ZINC000822105477 607380602 /nfs/dbraw/zinc/38/06/02/607380602.db2.gz UYDDDVSLFCENPP-UHFFFAOYSA-N -1 3 360.381 3.005 20 0 FGADHM CC(C)(C(=O)NCc1cccc(-c2nnn[n-]2)c1)c1cccc(Cl)c1 ZINC000735581145 599465103 /nfs/dbraw/zinc/46/51/03/599465103.db2.gz OFLYEBZGOHUEPC-UHFFFAOYSA-N -1 3 355.829 3.114 20 0 FGADHM CC(C)(C(=O)NCc1cccc(-c2nn[n-]n2)c1)c1cccc(Cl)c1 ZINC000735581145 599465104 /nfs/dbraw/zinc/46/51/04/599465104.db2.gz OFLYEBZGOHUEPC-UHFFFAOYSA-N -1 3 355.829 3.114 20 0 FGADHM C[C@@H](NC(=O)NC[C@@H](C)c1ccc(F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820259661 599470200 /nfs/dbraw/zinc/47/02/00/599470200.db2.gz AWBKCKHSEFCQCI-CHWSQXEVSA-N -1 3 368.416 3.170 20 0 FGADHM C[C@@H](NC(=O)NC[C@@H](C)c1ccc(F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820259661 599470202 /nfs/dbraw/zinc/47/02/02/599470202.db2.gz AWBKCKHSEFCQCI-CHWSQXEVSA-N -1 3 368.416 3.170 20 0 FGADHM C[C@@H]1C[C@H](c2ccc(F)cc2)CN1c1ncc(-c2nnn[n-]2)cc1Cl ZINC000736234840 599473809 /nfs/dbraw/zinc/47/38/09/599473809.db2.gz KXTRFQQBAMZIKM-MFKMUULPSA-N -1 3 358.808 3.437 20 0 FGADHM C[C@@H]1C[C@H](c2ccc(F)cc2)CN1c1ncc(-c2nn[n-]n2)cc1Cl ZINC000736234840 599473811 /nfs/dbraw/zinc/47/38/11/599473811.db2.gz KXTRFQQBAMZIKM-MFKMUULPSA-N -1 3 358.808 3.437 20 0 FGADHM Fc1ccc(NCCCCOCCc2ccccc2)c(-c2nnn[n-]2)c1 ZINC000822779324 599486368 /nfs/dbraw/zinc/48/63/68/599486368.db2.gz VHSGZBZOUGXQQS-UHFFFAOYSA-N -1 3 355.417 3.457 20 0 FGADHM Fc1ccc(NCCCCOCCc2ccccc2)c(-c2nn[n-]n2)c1 ZINC000822779324 599486371 /nfs/dbraw/zinc/48/63/71/599486371.db2.gz VHSGZBZOUGXQQS-UHFFFAOYSA-N -1 3 355.417 3.457 20 0 FGADHM C[C@H](Nc1ccc(F)cc1-c1nnn[n-]1)c1cccc(N2CCOC2=O)c1 ZINC000820455919 599497397 /nfs/dbraw/zinc/49/73/97/599497397.db2.gz OKASPZTXQNXSQB-NSHDSACASA-N -1 3 368.372 3.136 20 0 FGADHM C[C@H](Nc1ccc(F)cc1-c1nn[n-]n1)c1cccc(N2CCOC2=O)c1 ZINC000820455919 599497399 /nfs/dbraw/zinc/49/73/99/599497399.db2.gz OKASPZTXQNXSQB-NSHDSACASA-N -1 3 368.372 3.136 20 0 FGADHM C[C@H](NC(=O)C=Cc1ccc(Cl)s1)c1cccc(-c2nnn[n-]2)c1 ZINC000820322761 599501459 /nfs/dbraw/zinc/50/14/59/599501459.db2.gz VIIRTLGWCINBNL-PCGIRMHASA-N -1 3 359.842 3.472 20 0 FGADHM C[C@H](NC(=O)C=Cc1ccc(Cl)s1)c1cccc(-c2nn[n-]n2)c1 ZINC000820322761 599501463 /nfs/dbraw/zinc/50/14/63/599501463.db2.gz VIIRTLGWCINBNL-PCGIRMHASA-N -1 3 359.842 3.472 20 0 FGADHM C[C@H](NC(=O)c1ccc(OCC2CC2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820397773 599504499 /nfs/dbraw/zinc/50/44/99/599504499.db2.gz STIQAKLGGGIXOL-ZDUSSCGKSA-N -1 3 363.421 3.147 20 0 FGADHM C[C@H](NC(=O)c1ccc(OCC2CC2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820397773 599504502 /nfs/dbraw/zinc/50/45/02/599504502.db2.gz STIQAKLGGGIXOL-ZDUSSCGKSA-N -1 3 363.421 3.147 20 0 FGADHM C[C@@H](NC(=O)C=Cc1ccccc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000820321598 599506180 /nfs/dbraw/zinc/50/61/80/599506180.db2.gz JGNFXHYIPPZKED-BZYZDCJZSA-N -1 3 353.813 3.411 20 0 FGADHM C[C@@H](NC(=O)C=Cc1ccccc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000820321598 599506183 /nfs/dbraw/zinc/50/61/83/599506183.db2.gz JGNFXHYIPPZKED-BZYZDCJZSA-N -1 3 353.813 3.411 20 0 FGADHM CC(C)(C)c1cn2c(n1)CC[C@H](Nc1ccc(Cl)cc1-c1nnn[n-]1)C2 ZINC000819957698 599509894 /nfs/dbraw/zinc/50/98/94/599509894.db2.gz CNLVVFOAAXYESC-LBPRGKRZSA-N -1 3 371.876 3.441 20 0 FGADHM CC(C)(C)c1cn2c(n1)CC[C@H](Nc1ccc(Cl)cc1-c1nn[n-]n1)C2 ZINC000819957698 599509896 /nfs/dbraw/zinc/50/98/96/599509896.db2.gz CNLVVFOAAXYESC-LBPRGKRZSA-N -1 3 371.876 3.441 20 0 FGADHM Cc1cccc(OCCCC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000822327362 599518529 /nfs/dbraw/zinc/51/85/29/599518529.db2.gz HBSRBWCVRGMBDA-OAHLLOKOSA-N -1 3 365.437 3.212 20 0 FGADHM Cc1cccc(OCCCC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000822327362 599518531 /nfs/dbraw/zinc/51/85/31/599518531.db2.gz HBSRBWCVRGMBDA-OAHLLOKOSA-N -1 3 365.437 3.212 20 0 FGADHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1NCc1ccc2c(c1)OCO2 ZINC000737628631 599519589 /nfs/dbraw/zinc/51/95/89/599519589.db2.gz ZHZRAOQSNKCYIF-UHFFFAOYSA-N -1 3 363.299 3.226 20 0 FGADHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1NCc1cccc2c1OCO2 ZINC000737627278 599520813 /nfs/dbraw/zinc/52/08/13/599520813.db2.gz OJULGSAGZYARQI-UHFFFAOYSA-N -1 3 363.299 3.226 20 0 FGADHM C[C@@H](NC(=O)[C@]1(C)CCCc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820321928 599527726 /nfs/dbraw/zinc/52/77/26/599527726.db2.gz ODGYVFSBOJDSQN-SPLOXXLWSA-N -1 3 361.449 3.338 20 0 FGADHM C[C@@H](NC(=O)[C@]1(C)CCCc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820321928 599527729 /nfs/dbraw/zinc/52/77/29/599527729.db2.gz ODGYVFSBOJDSQN-SPLOXXLWSA-N -1 3 361.449 3.338 20 0 FGADHM Cc1ccc(C[C@@H](C)N(C)C(=S)Nc2ccccc2-c2nnn[n-]2)cc1 ZINC000737334861 599536924 /nfs/dbraw/zinc/53/69/24/599536924.db2.gz NKRXMTQVWQWAQN-CQSZACIVSA-N -1 3 366.494 3.435 20 0 FGADHM Cc1ccc(C[C@@H](C)N(C)C(=S)Nc2ccccc2-c2nn[n-]n2)cc1 ZINC000737334861 599536926 /nfs/dbraw/zinc/53/69/26/599536926.db2.gz NKRXMTQVWQWAQN-CQSZACIVSA-N -1 3 366.494 3.435 20 0 FGADHM Cc1cc(C)n([C@H]2CCCN(c3cc(Cl)ccc3-c3nnn[n-]3)C2)n1 ZINC000822197952 599539358 /nfs/dbraw/zinc/53/93/58/599539358.db2.gz WCGBRFYQTQYAFX-AWEZNQCLSA-N -1 3 357.849 3.175 20 0 FGADHM Cc1cc(C)n([C@H]2CCCN(c3cc(Cl)ccc3-c3nn[n-]n3)C2)n1 ZINC000822197952 599539360 /nfs/dbraw/zinc/53/93/60/599539360.db2.gz WCGBRFYQTQYAFX-AWEZNQCLSA-N -1 3 357.849 3.175 20 0 FGADHM CC(C)COc1ccc(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000820102975 599540758 /nfs/dbraw/zinc/54/07/58/599540758.db2.gz NBFHHLCZFWTJCT-CQSZACIVSA-N -1 3 365.437 3.393 20 0 FGADHM CC(C)COc1ccc(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000820102975 599540761 /nfs/dbraw/zinc/54/07/61/599540761.db2.gz NBFHHLCZFWTJCT-CQSZACIVSA-N -1 3 365.437 3.393 20 0 FGADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2NC[C@@H]1CCOc2ccccc21 ZINC000822336895 599547599 /nfs/dbraw/zinc/54/75/99/599547599.db2.gz STVMEJONDPOHFE-AWEZNQCLSA-N -1 3 372.432 3.123 20 0 FGADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2NC[C@@H]1CCOc2ccccc21 ZINC000822336895 599547600 /nfs/dbraw/zinc/54/76/00/599547600.db2.gz STVMEJONDPOHFE-AWEZNQCLSA-N -1 3 372.432 3.123 20 0 FGADHM Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000737422709 599549150 /nfs/dbraw/zinc/54/91/50/599549150.db2.gz RHWATJMMWUBBHM-YJBOKZPZSA-N -1 3 361.449 3.122 20 0 FGADHM Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737422709 599549152 /nfs/dbraw/zinc/54/91/52/599549152.db2.gz RHWATJMMWUBBHM-YJBOKZPZSA-N -1 3 361.449 3.122 20 0 FGADHM Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)c2sccc2-c2nnn[n-]2)C1 ZINC000737420028 599549156 /nfs/dbraw/zinc/54/91/56/599549156.db2.gz GSWCRPAOEYJGIF-QWHCGFSZSA-N -1 3 353.451 3.255 20 0 FGADHM Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)c2sccc2-c2nn[n-]n2)C1 ZINC000737420028 599549158 /nfs/dbraw/zinc/54/91/58/599549158.db2.gz GSWCRPAOEYJGIF-QWHCGFSZSA-N -1 3 353.451 3.255 20 0 FGADHM C[C@@H]1CCC[C@H](C)CN1C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000820689714 599549850 /nfs/dbraw/zinc/54/98/50/599549850.db2.gz BRZLBRLDWDRPLP-QWHCGFSZSA-N -1 3 359.478 3.466 20 0 FGADHM C[C@@H]1CCC[C@H](C)CN1C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000820689714 599549852 /nfs/dbraw/zinc/54/98/52/599549852.db2.gz BRZLBRLDWDRPLP-QWHCGFSZSA-N -1 3 359.478 3.466 20 0 FGADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2NC[C@@H](C)Oc1ccccc1 ZINC000822335363 599558542 /nfs/dbraw/zinc/55/85/42/599558542.db2.gz KCAQSVVITMHTLC-CQSZACIVSA-N -1 3 360.421 3.025 20 0 FGADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2NC[C@@H](C)Oc1ccccc1 ZINC000822335363 599558545 /nfs/dbraw/zinc/55/85/45/599558545.db2.gz KCAQSVVITMHTLC-CQSZACIVSA-N -1 3 360.421 3.025 20 0 FGADHM Cc1c(Nc2ncc(-c3nnn[n-]3)cc2Cl)cnn1-c1ccccc1 ZINC000822128446 607383868 /nfs/dbraw/zinc/38/38/68/607383868.db2.gz CFRJHJCIUXSOJZ-UHFFFAOYSA-N -1 3 352.789 3.153 20 0 FGADHM Cc1c(Nc2ncc(-c3nn[n-]n3)cc2Cl)cnn1-c1ccccc1 ZINC000822128446 607383870 /nfs/dbraw/zinc/38/38/70/607383870.db2.gz CFRJHJCIUXSOJZ-UHFFFAOYSA-N -1 3 352.789 3.153 20 0 FGADHM CC(C)[C@@H](C)NC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735709280 599561892 /nfs/dbraw/zinc/56/18/92/599561892.db2.gz QTCNQCKOQIMMSR-CYBMUJFWSA-N -1 3 350.426 3.385 20 0 FGADHM O=C(NCc1ccoc1)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738123984 599566347 /nfs/dbraw/zinc/56/63/47/599566347.db2.gz GOOCBDMGWUWSMF-UHFFFAOYSA-N -1 3 360.377 3.133 20 0 FGADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(N[C@@H]2[C@H]3CCc4ccccc4[C@@H]23)n1 ZINC000822723920 607384436 /nfs/dbraw/zinc/38/44/36/607384436.db2.gz SRFXQSFZEMFUFW-NILFDRSVSA-N -1 3 372.354 3.421 20 0 FGADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(N[C@@H]2[C@H]3CCc4ccccc4[C@@H]23)n1 ZINC000822723920 607384438 /nfs/dbraw/zinc/38/44/38/607384438.db2.gz SRFXQSFZEMFUFW-NILFDRSVSA-N -1 3 372.354 3.421 20 0 FGADHM COc1ccccc1[C@@]1(C)C[C@@H]1Nc1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821883555 599583082 /nfs/dbraw/zinc/58/30/82/599583082.db2.gz XOFFEESLJOPPBL-MAUKXSAKSA-N -1 3 357.364 3.296 20 0 FGADHM COc1ccccc1[C@@]1(C)C[C@@H]1Nc1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821883555 599583085 /nfs/dbraw/zinc/58/30/85/599583085.db2.gz XOFFEESLJOPPBL-MAUKXSAKSA-N -1 3 357.364 3.296 20 0 FGADHM COc1ccc(C[C@@H]2CCCN(c3ccc(F)cc3-c3nnn[n-]3)C2)cc1 ZINC000821790041 599590848 /nfs/dbraw/zinc/59/08/48/599590848.db2.gz FRXCLDWDGZKCEH-HNNXBMFYSA-N -1 3 367.428 3.474 20 0 FGADHM COc1ccc(C[C@@H]2CCCN(c3ccc(F)cc3-c3nn[n-]n3)C2)cc1 ZINC000821790041 599590850 /nfs/dbraw/zinc/59/08/50/599590850.db2.gz FRXCLDWDGZKCEH-HNNXBMFYSA-N -1 3 367.428 3.474 20 0 FGADHM O=C(OCc1ccccc1-c1nnn[n-]1)c1ccc(OC2CCC2)cc1 ZINC000823431819 599620946 /nfs/dbraw/zinc/62/09/46/599620946.db2.gz YIXRXUMQOQLOBM-UHFFFAOYSA-N -1 3 350.378 3.155 20 0 FGADHM O=C(OCc1ccccc1-c1nn[n-]n1)c1ccc(OC2CCC2)cc1 ZINC000823431819 599620947 /nfs/dbraw/zinc/62/09/47/599620947.db2.gz YIXRXUMQOQLOBM-UHFFFAOYSA-N -1 3 350.378 3.155 20 0 FGADHM O=C(OCc1ccccc1-c1nnn[n-]1)[C@H]1C[C@@]12CCCc1ccccc12 ZINC000823431298 599621169 /nfs/dbraw/zinc/62/11/69/599621169.db2.gz PMOHCMFPUNALFR-WIYYLYMNSA-N -1 3 360.417 3.204 20 0 FGADHM O=C(OCc1ccccc1-c1nn[n-]n1)[C@H]1C[C@@]12CCCc1ccccc12 ZINC000823431298 599621170 /nfs/dbraw/zinc/62/11/70/599621170.db2.gz PMOHCMFPUNALFR-WIYYLYMNSA-N -1 3 360.417 3.204 20 0 FGADHM CCO[C@@H]1C[C@@H](OC(=O)c2ccc(-c3nnn[n-]3)cc2)C12CCCCC2 ZINC000821369243 599626041 /nfs/dbraw/zinc/62/60/41/599626041.db2.gz YCHMZZWJOIJUBM-HZPDHXFCSA-N -1 3 356.426 3.151 20 0 FGADHM CCO[C@@H]1C[C@@H](OC(=O)c2ccc(-c3nn[n-]n3)cc2)C12CCCCC2 ZINC000821369243 599626042 /nfs/dbraw/zinc/62/60/42/599626042.db2.gz YCHMZZWJOIJUBM-HZPDHXFCSA-N -1 3 356.426 3.151 20 0 FGADHM C[C@@H](NC(=O)c1ccc(Cl)nc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000820397444 599635142 /nfs/dbraw/zinc/63/51/42/599635142.db2.gz OZJRQXQQLNGKFL-MRVPVSSYSA-N -1 3 363.208 3.060 20 0 FGADHM C[C@@H](NC(=O)c1ccc(Cl)nc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000820397444 599635143 /nfs/dbraw/zinc/63/51/43/599635143.db2.gz OZJRQXQQLNGKFL-MRVPVSSYSA-N -1 3 363.208 3.060 20 0 FGADHM CC(C)C[C@H]1CCN(C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)C1 ZINC000820067873 599646913 /nfs/dbraw/zinc/64/69/13/599646913.db2.gz NFAIKMRAJMSKPI-CYBMUJFWSA-N -1 3 359.478 3.323 20 0 FGADHM CC(C)C[C@H]1CCN(C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)C1 ZINC000820067873 599646914 /nfs/dbraw/zinc/64/69/14/599646914.db2.gz NFAIKMRAJMSKPI-CYBMUJFWSA-N -1 3 359.478 3.323 20 0 FGADHM C[C@H](CCOc1ccccc1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820248913 599649148 /nfs/dbraw/zinc/64/91/48/599649148.db2.gz PANOSWUVZIPGCK-GFCCVEGCSA-N -1 3 355.373 3.050 20 0 FGADHM C[C@H](CCOc1ccccc1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820248913 599649149 /nfs/dbraw/zinc/64/91/49/599649149.db2.gz PANOSWUVZIPGCK-GFCCVEGCSA-N -1 3 355.373 3.050 20 0 FGADHM O=C(OCCOc1ccccc1-c1nnn[n-]1)[C@H]1C[C@H]1C1CCCCC1 ZINC000823409910 599665620 /nfs/dbraw/zinc/66/56/20/599665620.db2.gz NQQAUFNUVYWOKK-HOTGVXAUSA-N -1 3 356.426 3.005 20 0 FGADHM O=C(OCCOc1ccccc1-c1nn[n-]n1)[C@H]1C[C@H]1C1CCCCC1 ZINC000823409910 599665621 /nfs/dbraw/zinc/66/56/21/599665621.db2.gz NQQAUFNUVYWOKK-HOTGVXAUSA-N -1 3 356.426 3.005 20 0 FGADHM CCCCC[C@@H](C)CC(=O)O[C@@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000821051084 599668408 /nfs/dbraw/zinc/66/84/08/599668408.db2.gz XVFTUYLOILEKGH-KGLIPLIRSA-N -1 3 373.457 3.343 20 0 FGADHM CCCCC[C@@H](C)CC(=O)O[C@@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000821051084 599668409 /nfs/dbraw/zinc/66/84/09/599668409.db2.gz XVFTUYLOILEKGH-KGLIPLIRSA-N -1 3 373.457 3.343 20 0 FGADHM Cc1nc(-c2ccccc2)oc1C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822418666 599700149 /nfs/dbraw/zinc/70/01/49/599700149.db2.gz CNOBGWMLYMNNOT-UHFFFAOYSA-N -1 3 364.340 3.222 20 0 FGADHM Cc1nc(-c2ccccc2)oc1C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822418666 599700150 /nfs/dbraw/zinc/70/01/50/599700150.db2.gz CNOBGWMLYMNNOT-UHFFFAOYSA-N -1 3 364.340 3.222 20 0 FGADHM C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)c2ccccc2NC(=O)[O-])C1 ZINC000736724759 599709136 /nfs/dbraw/zinc/70/91/36/599709136.db2.gz OXXBDOLFFFJFEZ-HOCLYGCPSA-N -1 3 353.422 3.342 20 0 FGADHM C[C@H](C1CC1)N(Cc1ccccc1)C(=O)CN1CCCC[C@H]1CC(=O)[O-] ZINC000650504322 599754902 /nfs/dbraw/zinc/75/49/02/599754902.db2.gz IJPVHVCJXLBTGL-APWZRJJASA-N -1 3 358.482 3.143 20 0 FGADHM O=C(Nc1ccc(F)cc1Cl)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826454841 607391989 /nfs/dbraw/zinc/39/19/89/607391989.db2.gz NDPLYWRMRJFTPD-UHFFFAOYSA-N -1 3 372.791 3.470 20 0 FGADHM O=C(Nc1ccc(F)cc1Cl)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826454841 607391991 /nfs/dbraw/zinc/39/19/91/607391991.db2.gz NDPLYWRMRJFTPD-UHFFFAOYSA-N -1 3 372.791 3.470 20 0 FGADHM Cc1nc(CCCC(=O)OCc2ccc(-c3nnn[n-]3)cc2C)cs1 ZINC000826325337 607405910 /nfs/dbraw/zinc/40/59/10/607405910.db2.gz UOVIOZWXOIYXNZ-UHFFFAOYSA-N -1 3 357.439 3.006 20 0 FGADHM Cc1nc(CCCC(=O)OCc2ccc(-c3nn[n-]n3)cc2C)cs1 ZINC000826325337 607405912 /nfs/dbraw/zinc/40/59/12/607405912.db2.gz UOVIOZWXOIYXNZ-UHFFFAOYSA-N -1 3 357.439 3.006 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)Cc1cccc2ccccc21 ZINC000821741871 607408771 /nfs/dbraw/zinc/40/87/71/607408771.db2.gz UMUOXWBBNBWWCN-UHFFFAOYSA-N -1 3 374.400 3.314 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)Cc1cccc2ccccc21 ZINC000821741871 607408773 /nfs/dbraw/zinc/40/87/73/607408773.db2.gz UMUOXWBBNBWWCN-UHFFFAOYSA-N -1 3 374.400 3.314 20 0 FGADHM CN(C(=O)CN1CCC[C@H](Cc2ccccc2)C1)c1ccccc1C(=O)[O-] ZINC000737324306 599992911 /nfs/dbraw/zinc/99/29/11/599992911.db2.gz OBBXMYVRLYQUNG-GOSISDBHSA-N -1 3 366.461 3.302 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)COc1cccc2ccccc21 ZINC000826254011 607411188 /nfs/dbraw/zinc/41/11/88/607411188.db2.gz PNQMPWSGFSRRAR-UHFFFAOYSA-N -1 3 374.400 3.451 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)COc1cccc2ccccc21 ZINC000826254011 607411191 /nfs/dbraw/zinc/41/11/91/607411191.db2.gz PNQMPWSGFSRRAR-UHFFFAOYSA-N -1 3 374.400 3.451 20 0 FGADHM Cc1ccc([C@@H](CNC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)N(C)C)cc1 ZINC000738560841 600021319 /nfs/dbraw/zinc/02/13/19/600021319.db2.gz LYAHDVWAWIZXBE-LJQANCHMSA-N -1 3 367.449 3.021 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)C[C@@H]1CCc2ccccc21 ZINC000821741020 607418591 /nfs/dbraw/zinc/41/85/91/607418591.db2.gz GBJQHXWPVKEXBV-AWEZNQCLSA-N -1 3 364.405 3.039 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)C[C@@H]1CCc2ccccc21 ZINC000821741020 607418593 /nfs/dbraw/zinc/41/85/93/607418593.db2.gz GBJQHXWPVKEXBV-AWEZNQCLSA-N -1 3 364.405 3.039 20 0 FGADHM O=C(NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1cccc2ccccc21 ZINC000826428344 607418650 /nfs/dbraw/zinc/41/86/50/607418650.db2.gz ZBZRURAFLAQWOK-UHFFFAOYSA-N -1 3 355.401 3.439 20 0 FGADHM O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1cccc2ccccc21 ZINC000826428344 607418651 /nfs/dbraw/zinc/41/86/51/607418651.db2.gz ZBZRURAFLAQWOK-UHFFFAOYSA-N -1 3 355.401 3.439 20 0 FGADHM C[C@@H](NC(=O)OC(C)(C)C)C1CCN(Cc2ccc(C(=O)[O-])o2)CC1 ZINC000736650448 600092206 /nfs/dbraw/zinc/09/22/06/600092206.db2.gz OQPGSKXIXUJTSI-GFCCVEGCSA-N -1 3 352.431 3.103 20 0 FGADHM Cc1c([O-])ccc2c(C[N@@H+](C)[C@@H](C(=O)[O-])c3ccccc3)cc(=O)oc12 ZINC000738304684 600216746 /nfs/dbraw/zinc/21/67/46/600216746.db2.gz AIJJCHXQPWPDAZ-GOSISDBHSA-N -1 3 353.374 3.065 20 0 FGADHM Cc1c([O-])ccc2c(C[N@H+](C)[C@@H](C(=O)[O-])c3ccccc3)cc(=O)oc12 ZINC000738304684 600216748 /nfs/dbraw/zinc/21/67/48/600216748.db2.gz AIJJCHXQPWPDAZ-GOSISDBHSA-N -1 3 353.374 3.065 20 0 FGADHM Cc1oc(CN(C)C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1C(=O)[O-] ZINC000738967170 600218539 /nfs/dbraw/zinc/21/85/39/600218539.db2.gz SPORTCODBYJNCH-CQSZACIVSA-N -1 3 366.458 3.365 20 0 FGADHM O=C([O-])c1ccc2c(cnn2CN2CC[C@@H](Cc3ccc(F)cc3)C2)c1 ZINC000740202861 600259525 /nfs/dbraw/zinc/25/95/25/600259525.db2.gz LWGILLDGYFIUFN-HNNXBMFYSA-N -1 3 353.397 3.396 20 0 FGADHM O=C([O-])c1cc(Cl)cc(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000311955171 600280322 /nfs/dbraw/zinc/28/03/22/600280322.db2.gz KKFGRSPHDPHRSJ-MRXNPFEDSA-N -1 3 373.840 3.434 20 0 FGADHM CC(C)Oc1ccc(NC(=O)N2CCC3(CCCC3)C2)cc1-c1nnn[n-]1 ZINC000820166392 607434893 /nfs/dbraw/zinc/43/48/93/607434893.db2.gz XWQKKBIOMQOXMM-UHFFFAOYSA-N -1 3 370.457 3.452 20 0 FGADHM CC(C)Oc1ccc(NC(=O)N2CCC3(CCCC3)C2)cc1-c1nn[n-]n1 ZINC000820166392 607434894 /nfs/dbraw/zinc/43/48/94/607434894.db2.gz XWQKKBIOMQOXMM-UHFFFAOYSA-N -1 3 370.457 3.452 20 0 FGADHM Cc1c(C(=O)[O-])sc2nc(C)nc(N3C[C@@H]4CCCCN4C[C@H]3C)c12 ZINC000738361022 600314688 /nfs/dbraw/zinc/31/46/88/600314688.db2.gz ARUDRLOMCVENCF-MFKMUULPSA-N -1 3 360.483 3.069 20 0 FGADHM CN(C(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825812075 607437120 /nfs/dbraw/zinc/43/71/20/607437120.db2.gz HJPHLZUGWVCPQD-CVEARBPZSA-N -1 3 353.813 3.287 20 0 FGADHM CN(C(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825812075 607437123 /nfs/dbraw/zinc/43/71/23/607437123.db2.gz HJPHLZUGWVCPQD-CVEARBPZSA-N -1 3 353.813 3.287 20 0 FGADHM CN(C)C[C@H](NC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1)c1ccccc1 ZINC000737362253 600516769 /nfs/dbraw/zinc/51/67/69/600516769.db2.gz YWCFHMYLYDKVBR-INIZCTEOSA-N -1 3 361.829 3.463 20 0 FGADHM O=C([O-])c1ccc(NC(=O)NC[C@H]2CCCN2Cc2ccccc2)cc1 ZINC000390601252 600540070 /nfs/dbraw/zinc/54/00/70/600540070.db2.gz BHESSFTVZVKRKU-GOSISDBHSA-N -1 3 353.422 3.171 20 0 FGADHM CCCN1CCC[C@H]1C(=O)NC[C@@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC000737031053 600597651 /nfs/dbraw/zinc/59/76/51/600597651.db2.gz WNEUZXGJBNQICD-QUCCMNQESA-N -1 3 368.477 3.074 20 0 FGADHM CC[C@@H]1CCC[C@H](NC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)C1 ZINC000825194445 607456918 /nfs/dbraw/zinc/45/69/18/607456918.db2.gz QVAMFQHQPNSCPZ-CJNGLKHVSA-N -1 3 354.458 3.124 20 0 FGADHM CC[C@@H]1CCC[C@H](NC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)C1 ZINC000825194445 607456920 /nfs/dbraw/zinc/45/69/20/607456920.db2.gz QVAMFQHQPNSCPZ-CJNGLKHVSA-N -1 3 354.458 3.124 20 0 FGADHM CCO[C@@H]1C[C@H](N[C@@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2C)C12CCCC2 ZINC000829930878 600760441 /nfs/dbraw/zinc/76/04/41/600760441.db2.gz DFJILBKRBMWRAH-JCGIZDLHSA-N -1 3 374.481 3.348 20 0 FGADHM CCc1nnc(COc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)o1 ZINC000821517661 607467784 /nfs/dbraw/zinc/46/77/84/607467784.db2.gz MJPVRYSOPQBUFU-UHFFFAOYSA-N -1 3 364.365 3.183 20 0 FGADHM CCc1nnc(COc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)o1 ZINC000821517661 607467785 /nfs/dbraw/zinc/46/77/85/607467785.db2.gz MJPVRYSOPQBUFU-UHFFFAOYSA-N -1 3 364.365 3.183 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1CNC1(c2nc(C)cs2)CCCC1 ZINC000826184462 607469905 /nfs/dbraw/zinc/46/99/05/607469905.db2.gz XVWQJIYUSOUGTL-UHFFFAOYSA-N -1 3 370.482 3.199 20 0 FGADHM O=C([O-])[C@@H]1CCC[C@@H](C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)C1 ZINC000379638946 600836586 /nfs/dbraw/zinc/83/65/86/600836586.db2.gz VBIDWRAYVUEIKN-QRVBRYPASA-N -1 3 358.482 3.048 20 0 FGADHM Cc1ccc([C@@H]2CCC[C@H]2N(C)CC(=O)N[C@H](CC(C)C)C(=O)[O-])cc1 ZINC000832928077 600839549 /nfs/dbraw/zinc/83/95/49/600839549.db2.gz ACYYWQUQNHUDOX-IPMKNSEASA-N -1 3 360.498 3.178 20 0 FGADHM CCCC[C@@H](C(=O)[O-])[NH+]1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000829275661 600988472 /nfs/dbraw/zinc/98/84/72/600988472.db2.gz FKHAGACCEWTAQW-HNNXBMFYSA-N -1 3 368.861 3.340 20 0 FGADHM O=C([O-])c1cccc(-c2nc(CN3CCN4CCCC[C@H]4C3)cs2)c1 ZINC000833327065 601171691 /nfs/dbraw/zinc/17/16/91/601171691.db2.gz ZHTYQOMYQOCTDM-KRWDZBQOSA-N -1 3 357.479 3.178 20 0 FGADHM Cc1ccc2cc(C(=O)N(C)c3ccc(-c4nnn[n-]4)cc3F)ccc2n1 ZINC000822280444 607500777 /nfs/dbraw/zinc/50/07/77/607500777.db2.gz NUTBSKLAEUVZOZ-UHFFFAOYSA-N -1 3 362.368 3.139 20 0 FGADHM Cc1ccc2cc(C(=O)N(C)c3ccc(-c4nn[n-]n4)cc3F)ccc2n1 ZINC000822280444 607500778 /nfs/dbraw/zinc/50/07/78/607500778.db2.gz NUTBSKLAEUVZOZ-UHFFFAOYSA-N -1 3 362.368 3.139 20 0 FGADHM CCc1oc(C(=O)[O-])cc1CN1CCC(CC(=O)NC2CCCC2)CC1 ZINC000830362933 601414529 /nfs/dbraw/zinc/41/45/29/601414529.db2.gz KFOQDJXRZZCINK-UHFFFAOYSA-N -1 3 362.470 3.201 20 0 FGADHM CCCCCNC(=O)C1CCN(Cc2cc(C(=O)[O-])sc2C)CC1 ZINC000829363962 601618551 /nfs/dbraw/zinc/61/85/51/601618551.db2.gz NHGPJKVAVWQSFW-UHFFFAOYSA-N -1 3 352.500 3.273 20 0 FGADHM Cc1cccc(NC(=O)[C@@H]2CCCN(Cc3ccc(C(=O)[O-])c(F)c3)C2)n1 ZINC000832971101 601620085 /nfs/dbraw/zinc/62/00/85/601620085.db2.gz QECJYQZVTYLWJK-OAHLLOKOSA-N -1 3 371.412 3.078 20 0 FGADHM CCC[C@H](C)NC(=O)[C@@H]1CCCN(Cc2ccc(C(=O)[O-])c(F)c2)C1 ZINC000829216051 601625352 /nfs/dbraw/zinc/62/53/52/601625352.db2.gz IXTGTNSJWSAMMH-DZGCQCFKSA-N -1 3 350.434 3.041 20 0 FGADHM Cc1sc(C(=O)[O-])cc1CN1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000652436290 601649654 /nfs/dbraw/zinc/64/96/54/601649654.db2.gz CVTAKLRVDKJYJA-INIZCTEOSA-N -1 3 353.484 3.305 20 0 FGADHM CCc1ccc(CN(C)C(=O)CN[C@H](c2ccccc2)[C@H](C)C(=O)[O-])cc1 ZINC000830245189 601656141 /nfs/dbraw/zinc/65/61/41/601656141.db2.gz RZLZYJDIGQYLQA-KKSFZXQISA-N -1 3 368.477 3.259 20 0 FGADHM C[C@H](C(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1)c1cccs1 ZINC000825994701 601732275 /nfs/dbraw/zinc/73/22/75/601732275.db2.gz JACNJYJXCBRNLS-MGPUTAFESA-N -1 3 372.490 3.087 20 0 FGADHM O=C([O-])c1cccc(CNC(=O)NC[C@@H](c2cccs2)N2CCCC2)c1 ZINC000666512995 601848515 /nfs/dbraw/zinc/84/85/15/601848515.db2.gz ASLWJBSHPOSXSO-INIZCTEOSA-N -1 3 373.478 3.083 20 0 FGADHM Cc1ccc(CN[C@H](C(=O)[O-])c2ccccc2)c(OC[C@@H]2CCCO2)c1 ZINC000832933680 601851110 /nfs/dbraw/zinc/85/11/10/601851110.db2.gz HWJOPOZWXFRVGJ-ICSRJNTNSA-N -1 3 355.434 3.468 20 0 FGADHM C[C@@H](CN(CC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1)C1CC1)C(=O)[O-] ZINC000827450345 601917823 /nfs/dbraw/zinc/91/78/23/601917823.db2.gz VVUBZCJJAYQZIL-STQMWFEESA-N -1 3 352.862 3.045 20 0 FGADHM COCc1cccc(CSCc2cc(-c3nnn[n-]3)ccc2OC)c1 ZINC000826164854 607535901 /nfs/dbraw/zinc/53/59/01/607535901.db2.gz UFGPQYXYFBMSFM-UHFFFAOYSA-N -1 3 356.451 3.455 20 0 FGADHM COCc1cccc(CSCc2cc(-c3nn[n-]n3)ccc2OC)c1 ZINC000826164854 607535903 /nfs/dbraw/zinc/53/59/03/607535903.db2.gz UFGPQYXYFBMSFM-UHFFFAOYSA-N -1 3 356.451 3.455 20 0 FGADHM CCN1CCC[C@H](NC(=O)c2cc(NC(=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000829765216 602002916 /nfs/dbraw/zinc/00/29/16/602002916.db2.gz MRJYNGFRSPVBSS-LBPRGKRZSA-N -1 3 359.348 3.009 20 0 FGADHM COCc1cccc(CSc2nc3c(c(C)c2-c2nnn[n-]2)CCC3)c1 ZINC000826164957 607542143 /nfs/dbraw/zinc/54/21/43/607542143.db2.gz YQWSILKPSMBQRO-UHFFFAOYSA-N -1 3 367.478 3.498 20 0 FGADHM COCc1cccc(CSc2nc3c(c(C)c2-c2nn[n-]n2)CCC3)c1 ZINC000826164957 607542144 /nfs/dbraw/zinc/54/21/44/607542144.db2.gz YQWSILKPSMBQRO-UHFFFAOYSA-N -1 3 367.478 3.498 20 0 FGADHM CC(C)[C@@H](NCCC1CCN(C(=O)[O-])CC1)c1nc(-c2cccnc2)no1 ZINC000738797666 602184236 /nfs/dbraw/zinc/18/42/36/602184236.db2.gz PAAMEZRGVFWAJB-MRXNPFEDSA-N -1 3 373.457 3.198 20 0 FGADHM CCCCCC[C@H](C)NC(=O)NCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000825271717 607557731 /nfs/dbraw/zinc/55/77/31/607557731.db2.gz MVFPXCCPPOLBNA-ZDUSSCGKSA-N -1 3 360.462 3.033 20 0 FGADHM CCCCCC[C@H](C)NC(=O)NCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000825271717 607557733 /nfs/dbraw/zinc/55/77/33/607557733.db2.gz MVFPXCCPPOLBNA-ZDUSSCGKSA-N -1 3 360.462 3.033 20 0 FGADHM C[C@@H](CN(C)C(=O)[O-])c1noc(C2CCN(Cc3ccccc3)CC2)n1 ZINC000738907198 603013157 /nfs/dbraw/zinc/01/31/57/603013157.db2.gz KBABJRAWYPDNDU-AWEZNQCLSA-N -1 3 358.442 3.163 20 0 FGADHM C[C@H](CN(C)C(=O)[O-])c1noc(C2CCN(Cc3ccccc3)CC2)n1 ZINC000738907200 603013225 /nfs/dbraw/zinc/01/32/25/603013225.db2.gz KBABJRAWYPDNDU-CQSZACIVSA-N -1 3 358.442 3.163 20 0 FGADHM C[C@H](C(=O)NC[C@@H](c1ccccc1)N(C)C)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823693778 603222610 /nfs/dbraw/zinc/22/26/10/603222610.db2.gz MRYNCZWQPZZTPJ-ZYSHUDEJSA-N -1 3 369.465 3.051 20 0 FGADHM C[C@@H](C(=O)NCc1ccccc1CN(C)C)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823704274 603245225 /nfs/dbraw/zinc/24/52/25/603245225.db2.gz ROUAHVATEOWRDJ-DNVCBOLYSA-N -1 3 369.465 3.009 20 0 FGADHM C[C@@H](C(=O)Nc1ccccc1CN(C)C)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823722506 603317212 /nfs/dbraw/zinc/31/72/12/603317212.db2.gz FHOUAFQRJSGEDF-KDOFPFPSSA-N -1 3 355.438 3.332 20 0 FGADHM CC(C)(C)OC(=O)N1CCCC[C@H]1CNCc1ccc(NC(=O)[O-])nc1 ZINC000823803744 603543506 /nfs/dbraw/zinc/54/35/06/603543506.db2.gz IERJCPKGKQGYOY-AWEZNQCLSA-N -1 3 364.446 3.051 20 0 FGADHM O=C([O-])Nc1ccc(CNCCOc2ccc(Br)cc2)cn1 ZINC000832842180 603550825 /nfs/dbraw/zinc/55/08/25/603550825.db2.gz PSTTUNKDBMJNIV-UHFFFAOYSA-N -1 3 366.215 3.103 20 0 FGADHM Cc1cscc1N[C@@H](C)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826321026 607646852 /nfs/dbraw/zinc/64/68/52/607646852.db2.gz NZWXMNCWBQJUTG-VIFPVBQESA-N -1 3 362.846 3.329 20 0 FGADHM Cc1cscc1N[C@@H](C)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826321026 607646854 /nfs/dbraw/zinc/64/68/54/607646854.db2.gz NZWXMNCWBQJUTG-VIFPVBQESA-N -1 3 362.846 3.329 20 0 FGADHM COc1ccc([C@@H](NC(=O)c2ccc(-c3nnn[n-]3)cc2C)C(C)C)cc1 ZINC000826189185 607652638 /nfs/dbraw/zinc/65/26/38/607652638.db2.gz PBBORXKRRUHYQI-SFHVURJKSA-N -1 3 365.437 3.311 20 0 FGADHM COc1ccc([C@@H](NC(=O)c2ccc(-c3nn[n-]n3)cc2C)C(C)C)cc1 ZINC000826189185 607652639 /nfs/dbraw/zinc/65/26/39/607652639.db2.gz PBBORXKRRUHYQI-SFHVURJKSA-N -1 3 365.437 3.311 20 0 FGADHM CN(C(=O)[O-])[C@H]1CCN(Cc2ccc(C(=O)Nc3ccccc3)cc2)C1 ZINC000827890844 603801494 /nfs/dbraw/zinc/80/14/94/603801494.db2.gz VIXXNERNMDFYTD-SFHVURJKSA-N -1 3 353.422 3.123 20 0 FGADHM COc1ccc([C@@H]2CCCN2C(=O)c2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000826189745 607651619 /nfs/dbraw/zinc/65/16/19/607651619.db2.gz DFNMMBREVNMEEB-SFHVURJKSA-N -1 3 363.421 3.161 20 0 FGADHM COc1ccc([C@@H]2CCCN2C(=O)c2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000826189745 607651621 /nfs/dbraw/zinc/65/16/21/607651621.db2.gz DFNMMBREVNMEEB-SFHVURJKSA-N -1 3 363.421 3.161 20 0 FGADHM CC(C)Oc1cccc([C@@H](O)CNCc2cccc3c2N(C(=O)[O-])CC3)c1 ZINC000824418374 603861717 /nfs/dbraw/zinc/86/17/17/603861717.db2.gz LYUXGALELPXOIZ-IBGZPJMESA-N -1 3 370.449 3.338 20 0 FGADHM Cc1ccc2oc(SCC(=O)c3cccc(-c4nnn[n-]4)c3)nc2c1 ZINC000826295304 607658837 /nfs/dbraw/zinc/65/88/37/607658837.db2.gz BLNOHAAZLSSGMY-UHFFFAOYSA-N -1 3 351.391 3.291 20 0 FGADHM Cc1ccc2oc(SCC(=O)c3cccc(-c4nn[n-]n4)c3)nc2c1 ZINC000826295304 607658839 /nfs/dbraw/zinc/65/88/39/607658839.db2.gz BLNOHAAZLSSGMY-UHFFFAOYSA-N -1 3 351.391 3.291 20 0 FGADHM CCN(C(=O)c1ccc(-c2nnn[n-]2)cc1C)[C@@H](C)c1cccc(OC)c1 ZINC000825379656 607663135 /nfs/dbraw/zinc/66/31/35/607663135.db2.gz JJZCHYKDQGQLKS-AWEZNQCLSA-N -1 3 365.437 3.407 20 0 FGADHM CCN(C(=O)c1ccc(-c2nn[n-]n2)cc1C)[C@@H](C)c1cccc(OC)c1 ZINC000825379656 607663137 /nfs/dbraw/zinc/66/31/37/607663137.db2.gz JJZCHYKDQGQLKS-AWEZNQCLSA-N -1 3 365.437 3.407 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@@H](C)c1cccc(OC(C)C)c1 ZINC000826247192 607664938 /nfs/dbraw/zinc/66/49/38/607664938.db2.gz WKLROQOAKCVYBB-AWEZNQCLSA-N -1 3 365.437 3.453 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@@H](C)c1cccc(OC(C)C)c1 ZINC000826247192 607664940 /nfs/dbraw/zinc/66/49/40/607664940.db2.gz WKLROQOAKCVYBB-AWEZNQCLSA-N -1 3 365.437 3.453 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H]1C[C@@H]1c1sccc1C ZINC000825620757 607669781 /nfs/dbraw/zinc/66/97/81/607669781.db2.gz HEEQIYCYJCJVDG-STQMWFEESA-N -1 3 369.450 3.378 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H]1C[C@@H]1c1sccc1C ZINC000825620757 607669782 /nfs/dbraw/zinc/66/97/82/607669782.db2.gz HEEQIYCYJCJVDG-STQMWFEESA-N -1 3 369.450 3.378 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@H]1CCc2c1cccc2Cl ZINC000826248062 607670591 /nfs/dbraw/zinc/67/05/91/607670591.db2.gz VJCOSHQRJSPYOJ-INIZCTEOSA-N -1 3 353.813 3.246 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@H]1CCc2c1cccc2Cl ZINC000826248062 607670594 /nfs/dbraw/zinc/67/05/94/607670594.db2.gz VJCOSHQRJSPYOJ-INIZCTEOSA-N -1 3 353.813 3.246 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)C[C@H](C)c1ccc(F)cc1F ZINC000826174154 607687353 /nfs/dbraw/zinc/68/73/53/607687353.db2.gz KUGQQPRXBONNMY-JTQLQIEISA-N -1 3 374.347 3.253 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)C[C@H](C)c1ccc(F)cc1F ZINC000826174154 607687355 /nfs/dbraw/zinc/68/73/55/607687355.db2.gz KUGQQPRXBONNMY-JTQLQIEISA-N -1 3 374.347 3.253 20 0 FGADHM COc1cc(F)c([C@@H](C)NCC[C@H]2CCCN(C(=O)[O-])C2)cc1OC ZINC000829134773 604299944 /nfs/dbraw/zinc/29/99/44/604299944.db2.gz HUTXMSQSNASYAO-CHWSQXEVSA-N -1 3 354.422 3.274 20 0 FGADHM O=C([O-])N1CCc2c1cccc2NC(=O)N1CCN(C2CCCCC2)CC1 ZINC000831793941 604350302 /nfs/dbraw/zinc/35/03/02/604350302.db2.gz SDMVPHNMSVWMGM-UHFFFAOYSA-N -1 3 372.469 3.209 20 0 FGADHM C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000824761971 607691443 /nfs/dbraw/zinc/69/14/43/607691443.db2.gz DMMVZVFIUBSYQR-QMMMGPOBSA-N -1 3 365.224 3.335 20 0 FGADHM C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000824761971 607691445 /nfs/dbraw/zinc/69/14/45/607691445.db2.gz DMMVZVFIUBSYQR-QMMMGPOBSA-N -1 3 365.224 3.335 20 0 FGADHM CCOc1ccc(NC(=O)CCN(C)Cc2cc(C(=O)[O-])c(C)o2)cc1 ZINC000830080680 604455232 /nfs/dbraw/zinc/45/52/32/604455232.db2.gz RFOGSCNPLJJYOU-UHFFFAOYSA-N -1 3 360.410 3.146 20 0 FGADHM Cc1ccsc1[C@@H]1C[C@H]1C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826316491 607699541 /nfs/dbraw/zinc/69/95/41/607699541.db2.gz PVOBRZVIZAJNFP-NILFDRSVSA-N -1 3 353.451 3.218 20 0 FGADHM Cc1ccsc1[C@@H]1C[C@H]1C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826316491 607699543 /nfs/dbraw/zinc/69/95/43/607699543.db2.gz PVOBRZVIZAJNFP-NILFDRSVSA-N -1 3 353.451 3.218 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NCC1(Cc2ccccc2)CCC1 ZINC000826247821 607703418 /nfs/dbraw/zinc/70/34/18/607703418.db2.gz OXFFLUYMKRHWEN-UHFFFAOYSA-N -1 3 361.449 3.318 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NCC1(Cc2ccccc2)CCC1 ZINC000826247821 607703420 /nfs/dbraw/zinc/70/34/20/607703420.db2.gz OXFFLUYMKRHWEN-UHFFFAOYSA-N -1 3 361.449 3.318 20 0 FGADHM Cc1nc(CC(C)C)c(NC(=O)c2ccc(-c3nnn[n-]3)cc2C)s1 ZINC000826325210 607707680 /nfs/dbraw/zinc/70/76/80/607707680.db2.gz QSXGBLBURIEAQV-UHFFFAOYSA-N -1 3 356.455 3.391 20 0 FGADHM Cc1nc(CC(C)C)c(NC(=O)c2ccc(-c3nn[n-]n3)cc2C)s1 ZINC000826325210 607707682 /nfs/dbraw/zinc/70/76/82/607707682.db2.gz QSXGBLBURIEAQV-UHFFFAOYSA-N -1 3 356.455 3.391 20 0 FGADHM C[C@@H](CN(CC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)C1CC1)C(=O)[O-] ZINC000827450766 604746574 /nfs/dbraw/zinc/74/65/74/604746574.db2.gz ZUODICYRFMNBTL-QWRGUYRKSA-N -1 3 373.280 3.356 20 0 FGADHM Fc1cccc(F)c1-n1ccc(CSc2cc(-c3nnn[n-]3)ccn2)n1 ZINC000826377067 607712285 /nfs/dbraw/zinc/71/22/85/607712285.db2.gz CTXFJNBXLNDSBW-UHFFFAOYSA-N -1 3 371.376 3.018 20 0 FGADHM Fc1cccc(F)c1-n1ccc(CSc2cc(-c3nn[n-]n3)ccn2)n1 ZINC000826377067 607712287 /nfs/dbraw/zinc/71/22/87/607712287.db2.gz CTXFJNBXLNDSBW-UHFFFAOYSA-N -1 3 371.376 3.018 20 0 FGADHM CC(C)(C)OC(=O)NC[C@@](C)(NCc1ccc(C(=O)[O-])cc1F)C1CC1 ZINC000833439399 604764699 /nfs/dbraw/zinc/76/46/99/604764699.db2.gz SGPDPVZUGACFFT-LJQANCHMSA-N -1 3 366.433 3.307 20 0 FGADHM CC(C)(C(=O)[O-])[C@@H](NCc1ccc(S(C)(=O)=O)cc1)c1ccccc1 ZINC000833416074 604866320 /nfs/dbraw/zinc/86/63/20/604866320.db2.gz WJPHOLHRWIPWOD-KRWDZBQOSA-N -1 3 361.463 3.032 20 0 FGADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(CC(=O)N[C@@H]2CCCc3ccccc32)C1 ZINC000833421421 604934947 /nfs/dbraw/zinc/93/49/47/604934947.db2.gz NKMRVXYOIGHUBI-SJLPKXTDSA-N -1 3 358.482 3.003 20 0 FGADHM CC(C)(C(=O)[O-])[C@H]1CCCN(CC(=O)N[C@H]2CCCc3ccccc32)C1 ZINC000833421422 604935105 /nfs/dbraw/zinc/93/51/05/604935105.db2.gz NKMRVXYOIGHUBI-WMZOPIPTSA-N -1 3 358.482 3.003 20 0 FGADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(CC(=O)N[C@H](c2ccccc2)C2CC2)C1 ZINC000833421190 604947405 /nfs/dbraw/zinc/94/74/05/604947405.db2.gz JRLAQMCQTQJRQY-IEBWSBKVSA-N -1 3 358.482 3.077 20 0 FGADHM COc1ccc([C@@H]2CCCCCN2C(=O)CN2CCC[C@H]2CC(=O)[O-])cc1 ZINC000833732842 604968026 /nfs/dbraw/zinc/96/80/26/604968026.db2.gz TXVMAXSVDDLCLT-HKUYNNGSSA-N -1 3 374.481 3.078 20 0 FGADHM C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1Cc1ccsc1C(=O)[O-] ZINC000833595853 604970351 /nfs/dbraw/zinc/97/03/51/604970351.db2.gz ANYQPAWMPXQYQS-WCQYABFASA-N -1 3 354.472 3.324 20 0 FGADHM O=C([O-])[C@@H](NCc1ccc(COCC(F)(F)F)cc1)c1cccnc1 ZINC000833166275 604989874 /nfs/dbraw/zinc/98/98/74/604989874.db2.gz OGGANJMVCCXKKH-HNNXBMFYSA-N -1 3 354.328 3.076 20 0 FGADHM CC(C)Cc1ccc([C@@H](NCC(=O)N2CCC(C(=O)[O-])CC2)C2CC2)cc1 ZINC000833491963 605011608 /nfs/dbraw/zinc/01/16/08/605011608.db2.gz CHZJYYAOKPWVBC-OAQYLSRUSA-N -1 3 372.509 3.249 20 0 FGADHM O[C@@H](c1ccccc1)C1(CNc2c(Cl)cccc2-c2nnn[n-]2)CC1 ZINC000826505090 607735281 /nfs/dbraw/zinc/73/52/81/607735281.db2.gz MDLSAFNJANGDMN-INIZCTEOSA-N -1 3 355.829 3.446 20 0 FGADHM O[C@@H](c1ccccc1)C1(CNc2c(Cl)cccc2-c2nn[n-]n2)CC1 ZINC000826505090 607735282 /nfs/dbraw/zinc/73/52/82/607735282.db2.gz MDLSAFNJANGDMN-INIZCTEOSA-N -1 3 355.829 3.446 20 0 FGADHM CCN1C[C@H](C)N(Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)C[C@@H]1C ZINC000833658554 605145770 /nfs/dbraw/zinc/14/57/70/605145770.db2.gz SXEIMNLMVFVCLO-KBPBESRZSA-N -1 3 359.495 3.423 20 0 FGADHM Cn1ccnc1[C@@H]1CCN([C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)C1 ZINC000833761141 605220057 /nfs/dbraw/zinc/22/00/57/605220057.db2.gz YHSBBTYYZDBWHO-QMTHXVAHSA-N -1 3 354.237 3.342 20 0 FGADHM C[C@]1(NCc2cn(-c3ccc(F)c(Cl)c3)nn2)CCCC[C@@H]1C(=O)[O-] ZINC000833569575 605267575 /nfs/dbraw/zinc/26/75/75/605267575.db2.gz NBMIOLMWCVKCJO-DYVFJYSZSA-N -1 3 366.824 3.183 20 0 FGADHM CCN(C(=O)c1ccc(-c2nnn[n-]2)[nH]1)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000825380110 607744802 /nfs/dbraw/zinc/74/48/02/607744802.db2.gz OJKKNSFOOFZMJR-KRWDZBQOSA-N -1 3 370.432 3.063 20 0 FGADHM CCN(C(=O)c1ccc(-c2nn[n-]n2)[nH]1)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000825380110 607744803 /nfs/dbraw/zinc/74/48/03/607744803.db2.gz OJKKNSFOOFZMJR-KRWDZBQOSA-N -1 3 370.432 3.063 20 0 FGADHM O=C(c1ccc(-c2nnn[n-]2)[nH]1)N1CCCCC[C@H]1/C=C/c1ccccc1 ZINC000826471884 607749822 /nfs/dbraw/zinc/74/98/22/607749822.db2.gz PSKSSASLCBSYET-OFAQMXQXSA-N -1 3 362.437 3.293 20 0 FGADHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1CCCCC[C@H]1/C=C/c1ccccc1 ZINC000826471884 607749823 /nfs/dbraw/zinc/74/98/23/607749823.db2.gz PSKSSASLCBSYET-OFAQMXQXSA-N -1 3 362.437 3.293 20 0 FGADHM CC1=C(C(=O)[O-])C[C@@H](CN(Cc2ccccc2)C[C@H](O)c2ccsc2)O1 ZINC000833585170 605352489 /nfs/dbraw/zinc/35/24/89/605352489.db2.gz VFXACXFPZBLMCZ-HKUYNNGSSA-N -1 3 373.474 3.431 20 0 FGADHM CC1=C(C(=O)[O-])C[C@H](CN(Cc2ccccc2)C[C@H](O)c2ccsc2)O1 ZINC000833585172 605352863 /nfs/dbraw/zinc/35/28/63/605352863.db2.gz VFXACXFPZBLMCZ-MJGOQNOKSA-N -1 3 373.474 3.431 20 0 FGADHM CC(C)(C)OC(=O)N1CC(CN[C@H](C(=O)[O-])c2c(F)cccc2Cl)C1 ZINC000833432950 605360854 /nfs/dbraw/zinc/36/08/54/605360854.db2.gz RMZRBJFNQSAPHV-AWEZNQCLSA-N -1 3 372.824 3.061 20 0 FGADHM O=C([O-])NC1CCN(Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)CC1 ZINC000834189507 605483678 /nfs/dbraw/zinc/48/36/78/605483678.db2.gz MPFRLGPFWNJPIZ-UHFFFAOYSA-N -1 3 368.359 3.123 20 0 FGADHM CC(C)C[C@H](C)NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000824229108 607763379 /nfs/dbraw/zinc/76/33/79/607763379.db2.gz NNMWGFUGUYFAIQ-ZDUSSCGKSA-N -1 3 366.425 3.218 20 0 FGADHM CC(C)C[C@H](C)NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000824229108 607763380 /nfs/dbraw/zinc/76/33/80/607763380.db2.gz NNMWGFUGUYFAIQ-ZDUSSCGKSA-N -1 3 366.425 3.218 20 0 FGADHM Cc1ccc(NC(=O)C[C@@H](NC(=O)[O-])c2ccccc2)c(CN(C)C)c1 ZINC000833905562 605607922 /nfs/dbraw/zinc/60/79/22/605607922.db2.gz QQVSLWJMTUNXSX-GOSISDBHSA-N -1 3 355.438 3.394 20 0 FGADHM O=C([O-])N1CC[C@@]2(C1)C[C@H](NC[C@@H](O)c1ccsc1)c1ccccc1O2 ZINC000834085673 605640120 /nfs/dbraw/zinc/64/01/20/605640120.db2.gz MONQLMXMFCCSMD-FCEWJHQRSA-N -1 3 374.462 3.017 20 0 FGADHM CCc1ccc(NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1F ZINC000825712169 607768790 /nfs/dbraw/zinc/76/87/90/607768790.db2.gz LLYSTSKDWRCIAE-NSHDSACASA-N -1 3 354.389 3.451 20 0 FGADHM CCc1ccc(NC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1F ZINC000825712169 607768791 /nfs/dbraw/zinc/76/87/91/607768791.db2.gz LLYSTSKDWRCIAE-NSHDSACASA-N -1 3 354.389 3.451 20 0 FGADHM O=C([O-])N[C@H]1C[C@H](NCc2ccccc2Cn2ccnc2)c2ccccc21 ZINC000834159783 605790182 /nfs/dbraw/zinc/79/01/82/605790182.db2.gz XJSOYZCVXAJPON-PMACEKPBSA-N -1 3 362.433 3.475 20 0 FGADHM O=C([O-])N[C@@H]1C[C@H](NCc2cccc(N3CCOC3=O)c2)c2ccccc21 ZINC000834156819 605794458 /nfs/dbraw/zinc/79/44/58/605794458.db2.gz DJSWHRPDUNPWDL-ZWKOTPCHSA-N -1 3 367.405 3.187 20 0 FGADHM O=C([O-])N[C@@H]1C[C@@H](NCCNC(=O)c2ccccc2Cl)c2ccccc21 ZINC000834157885 605799837 /nfs/dbraw/zinc/79/98/37/605799837.db2.gz JAQTXZLRHFDVMB-IAGOWNOFSA-N -1 3 373.840 3.113 20 0 FGADHM Cc1cc(N2CCC[C@@H](NCc3cc(C(=O)[O-])ccc3Cl)C2)nc(C)n1 ZINC000833746047 605833474 /nfs/dbraw/zinc/83/34/74/605833474.db2.gz LGEWWTDKRKVCCV-MRXNPFEDSA-N -1 3 374.872 3.204 20 0 FGADHM CC(C)Nc1cc(F)ccc1NC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000820136799 606021100 /nfs/dbraw/zinc/02/11/00/606021100.db2.gz CAQJTKVCPMLIAL-UHFFFAOYSA-N -1 3 354.389 3.007 20 0 FGADHM CC(C)Nc1cc(F)ccc1NC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000820136799 606021103 /nfs/dbraw/zinc/02/11/03/606021103.db2.gz CAQJTKVCPMLIAL-UHFFFAOYSA-N -1 3 354.389 3.007 20 0 FGADHM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(-c2ccncc2)cc1 ZINC000820390600 606029239 /nfs/dbraw/zinc/02/92/39/606029239.db2.gz JBERBIIRQFOTFR-AWEZNQCLSA-N -1 3 370.416 3.420 20 0 FGADHM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(-c2ccncc2)cc1 ZINC000820390600 606029243 /nfs/dbraw/zinc/02/92/43/606029243.db2.gz JBERBIIRQFOTFR-AWEZNQCLSA-N -1 3 370.416 3.420 20 0 FGADHM CCN(CC)c1ccc(CNc2nc3ccccc3cc2-c2nnn[n-]2)cn1 ZINC000821196676 606045740 /nfs/dbraw/zinc/04/57/40/606045740.db2.gz DGTCMNYHPPYZGF-UHFFFAOYSA-N -1 3 374.452 3.268 20 0 FGADHM CCN(CC)c1ccc(CNc2nc3ccccc3cc2-c2nn[n-]n2)cn1 ZINC000821196676 606045745 /nfs/dbraw/zinc/04/57/45/606045745.db2.gz DGTCMNYHPPYZGF-UHFFFAOYSA-N -1 3 374.452 3.268 20 0 FGADHM CC(C)COC1CCN(c2nc3ccccc3cc2-c2nnn[n-]2)CC1 ZINC000820102694 606049073 /nfs/dbraw/zinc/04/90/73/606049073.db2.gz HECLJBIULRGBCJ-UHFFFAOYSA-N -1 3 352.442 3.056 20 0 FGADHM CC(C)COC1CCN(c2nc3ccccc3cc2-c2nn[n-]n2)CC1 ZINC000820102694 606049076 /nfs/dbraw/zinc/04/90/76/606049076.db2.gz HECLJBIULRGBCJ-UHFFFAOYSA-N -1 3 352.442 3.056 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)[C@@H](C)c1cccnc1 ZINC000821389514 606053483 /nfs/dbraw/zinc/05/34/83/606053483.db2.gz MPHQUNNWRWDWII-JTQLQIEISA-N -1 3 373.800 3.023 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)[C@@H](C)c1cccnc1 ZINC000821389514 606053489 /nfs/dbraw/zinc/05/34/89/606053489.db2.gz MPHQUNNWRWDWII-JTQLQIEISA-N -1 3 373.800 3.023 20 0 FGADHM CCc1nc(CN(C)c2nc3ccccc3cc2-c2nnn[n-]2)cs1 ZINC000821509787 606058673 /nfs/dbraw/zinc/05/86/73/606058673.db2.gz NKJQDAQESYRGBP-UHFFFAOYSA-N -1 3 351.439 3.070 20 0 FGADHM CCc1nc(CN(C)c2nc3ccccc3cc2-c2nn[n-]n2)cs1 ZINC000821509787 606058678 /nfs/dbraw/zinc/05/86/78/606058678.db2.gz NKJQDAQESYRGBP-UHFFFAOYSA-N -1 3 351.439 3.070 20 0 FGADHM O=C([O-])Nc1ccccc1CC(=O)O[C@H]1CCN(Cc2ccccc2)C1 ZINC000834274229 606093617 /nfs/dbraw/zinc/09/36/17/606093617.db2.gz GGUUJYCIVLTBME-KRWDZBQOSA-N -1 3 354.406 3.137 20 0 FGADHM FC(F)CN(CCOc1cccc(-c2nnn[n-]2)c1)Cc1ccccc1 ZINC000822728356 606093848 /nfs/dbraw/zinc/09/38/48/606093848.db2.gz HRGFGZYBZSTHPY-UHFFFAOYSA-N -1 3 359.380 3.013 20 0 FGADHM FC(F)CN(CCOc1cccc(-c2nn[n-]n2)c1)Cc1ccccc1 ZINC000822728356 606093851 /nfs/dbraw/zinc/09/38/51/606093851.db2.gz HRGFGZYBZSTHPY-UHFFFAOYSA-N -1 3 359.380 3.013 20 0 FGADHM O=C([O-])N1CC[C@@]2(C1)C[C@@H](N[C@H]1CCC(F)(F)C1)c1ccccc1O2 ZINC000834087121 606106399 /nfs/dbraw/zinc/10/63/99/606106399.db2.gz QYRGYSGSYWHVTB-QEORTHHSSA-N -1 3 352.381 3.410 20 0 FGADHM C[C@@H](C(=O)NCc1cc(-c2nnn[n-]2)ccc1F)c1ccc(Cl)s1 ZINC000819866365 606112974 /nfs/dbraw/zinc/11/29/74/606112974.db2.gz LZISCPCBAKSMFE-MRVPVSSYSA-N -1 3 365.821 3.141 20 0 FGADHM C[C@@H](C(=O)NCc1cc(-c2nn[n-]n2)ccc1F)c1ccc(Cl)s1 ZINC000819866365 606112975 /nfs/dbraw/zinc/11/29/75/606112975.db2.gz LZISCPCBAKSMFE-MRVPVSSYSA-N -1 3 365.821 3.141 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)Nc1cc(C2CCCCC2)[nH]n1 ZINC000822929160 606117636 /nfs/dbraw/zinc/11/76/36/606117636.db2.gz QQYVTDZCTARBFS-KHPPLWFESA-N -1 3 363.425 3.289 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)Nc1cc(C2CCCCC2)[nH]n1 ZINC000822929160 606117638 /nfs/dbraw/zinc/11/76/38/606117638.db2.gz QQYVTDZCTARBFS-KHPPLWFESA-N -1 3 363.425 3.289 20 0 FGADHM c1ccc([C@@H]2CN(c3ccc(-c4nnn[n-]4)cn3)Cc3ccccc32)cc1 ZINC000823780102 606137085 /nfs/dbraw/zinc/13/70/85/606137085.db2.gz ODMONIZVUDDJJZ-IBGZPJMESA-N -1 3 354.417 3.414 20 0 FGADHM c1ccc([C@@H]2CN(c3ccc(-c4nn[n-]n4)cn3)Cc3ccccc32)cc1 ZINC000823780102 606137087 /nfs/dbraw/zinc/13/70/87/606137087.db2.gz ODMONIZVUDDJJZ-IBGZPJMESA-N -1 3 354.417 3.414 20 0 FGADHM CCO[C@H](CCNc1ncc(-c2nnn[n-]2)cc1Cl)C1CCCC1 ZINC000821351665 606143458 /nfs/dbraw/zinc/14/34/58/606143458.db2.gz UUTPVMGBECVWAV-CQSZACIVSA-N -1 3 350.854 3.312 20 0 FGADHM CCO[C@H](CCNc1ncc(-c2nn[n-]n2)cc1Cl)C1CCCC1 ZINC000821351665 606143459 /nfs/dbraw/zinc/14/34/59/606143459.db2.gz UUTPVMGBECVWAV-CQSZACIVSA-N -1 3 350.854 3.312 20 0 FGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000820152208 606150956 /nfs/dbraw/zinc/15/09/56/606150956.db2.gz UKLMKLNMRZQLAN-GASCZTMLSA-N -1 3 370.457 3.308 20 0 FGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000820152208 606150957 /nfs/dbraw/zinc/15/09/57/606150957.db2.gz UKLMKLNMRZQLAN-GASCZTMLSA-N -1 3 370.457 3.308 20 0 FGADHM CSc1ccc(NC(=O)Cc2ccc(-c3nnn[n-]3)cc2)cc1Cl ZINC000821985050 606151022 /nfs/dbraw/zinc/15/10/22/606151022.db2.gz XQHNQTRNNLOWDD-UHFFFAOYSA-N -1 3 359.842 3.423 20 0 FGADHM CSc1ccc(NC(=O)Cc2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC000821985050 606151024 /nfs/dbraw/zinc/15/10/24/606151024.db2.gz XQHNQTRNNLOWDD-UHFFFAOYSA-N -1 3 359.842 3.423 20 0 FGADHM C[C@@H](NC(=O)C/C=C/c1ccc(F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820321746 606153249 /nfs/dbraw/zinc/15/32/49/606153249.db2.gz MCOAZRHGVOIEFG-CXLRFSCWSA-N -1 3 351.385 3.287 20 0 FGADHM C[C@@H](NC(=O)C/C=C/c1ccc(F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820321746 606153250 /nfs/dbraw/zinc/15/32/50/606153250.db2.gz MCOAZRHGVOIEFG-CXLRFSCWSA-N -1 3 351.385 3.287 20 0 FGADHM O=C(CNc1ccc(Cl)c(-c2nnn[n-]2)c1)N1CCC[C@H]2CCCC[C@H]21 ZINC000823015041 606156191 /nfs/dbraw/zinc/15/61/91/606156191.db2.gz ZSVJLALQXVMUAD-MLGOLLRUSA-N -1 3 374.876 3.113 20 0 FGADHM O=C(CNc1ccc(Cl)c(-c2nn[n-]n2)c1)N1CCC[C@H]2CCCC[C@H]21 ZINC000823015041 606156193 /nfs/dbraw/zinc/15/61/93/606156193.db2.gz ZSVJLALQXVMUAD-MLGOLLRUSA-N -1 3 374.876 3.113 20 0 FGADHM Fc1cccc(-c2cnc(CNc3ccc(F)c(-c4nnn[n-]4)c3)o2)c1 ZINC000822786429 606157282 /nfs/dbraw/zinc/15/72/82/606157282.db2.gz KBWMNZIOKCUJOQ-UHFFFAOYSA-N -1 3 354.320 3.412 20 0 FGADHM Fc1cccc(-c2cnc(CNc3ccc(F)c(-c4nn[n-]n4)c3)o2)c1 ZINC000822786429 606157283 /nfs/dbraw/zinc/15/72/83/606157283.db2.gz KBWMNZIOKCUJOQ-UHFFFAOYSA-N -1 3 354.320 3.412 20 0 FGADHM C[C@@H](SCC(=O)N(C)Cc1cccs1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820550646 606179103 /nfs/dbraw/zinc/17/91/03/606179103.db2.gz YFRPJJNQBZLEIC-GFCCVEGCSA-N -1 3 373.507 3.381 20 0 FGADHM C[C@@H](SCC(=O)N(C)Cc1cccs1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820550646 606179104 /nfs/dbraw/zinc/17/91/04/606179104.db2.gz YFRPJJNQBZLEIC-GFCCVEGCSA-N -1 3 373.507 3.381 20 0 FGADHM CC(C)(C)Oc1ccc(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000819950727 606184857 /nfs/dbraw/zinc/18/48/57/606184857.db2.gz MECPTKWDELJIAU-UHFFFAOYSA-N -1 3 355.373 3.435 20 0 FGADHM CC(C)(C)Oc1ccc(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000819950727 606184859 /nfs/dbraw/zinc/18/48/59/606184859.db2.gz MECPTKWDELJIAU-UHFFFAOYSA-N -1 3 355.373 3.435 20 0 FGADHM C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820727322 606188320 /nfs/dbraw/zinc/18/83/20/606188320.db2.gz KSXRQDHJGHUZDW-PIGZYNQJSA-N -1 3 351.385 3.059 20 0 FGADHM C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820727322 606188322 /nfs/dbraw/zinc/18/83/22/606188322.db2.gz KSXRQDHJGHUZDW-PIGZYNQJSA-N -1 3 351.385 3.059 20 0 FGADHM C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)c1sccc1-c1nnn[n-]1 ZINC000820728351 606190874 /nfs/dbraw/zinc/19/08/74/606190874.db2.gz VCVBFQBWFUJWOL-YMTOWFKASA-N -1 3 357.414 3.121 20 0 FGADHM C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)c1sccc1-c1nn[n-]n1 ZINC000820728351 606190875 /nfs/dbraw/zinc/19/08/75/606190875.db2.gz VCVBFQBWFUJWOL-YMTOWFKASA-N -1 3 357.414 3.121 20 0 FGADHM Cc1ccc(NC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)nc1 ZINC000822255021 606194877 /nfs/dbraw/zinc/19/48/77/606194877.db2.gz SIPWZIRYYFWKQB-UHFFFAOYSA-N -1 3 356.389 3.489 20 0 FGADHM Cc1ccc(NC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)nc1 ZINC000822255021 606194878 /nfs/dbraw/zinc/19/48/78/606194878.db2.gz SIPWZIRYYFWKQB-UHFFFAOYSA-N -1 3 356.389 3.489 20 0 FGADHM O=C(Nc1ccccc1-c1nnn[n-]1)c1ccc(-c2nc(C3CC3)no2)cc1 ZINC000823367003 606208486 /nfs/dbraw/zinc/20/84/86/606208486.db2.gz CRKWLRUBABINTH-UHFFFAOYSA-N -1 3 373.376 3.046 20 0 FGADHM O=C(Nc1ccccc1-c1nn[n-]n1)c1ccc(-c2nc(C3CC3)no2)cc1 ZINC000823367003 606208488 /nfs/dbraw/zinc/20/84/88/606208488.db2.gz CRKWLRUBABINTH-UHFFFAOYSA-N -1 3 373.376 3.046 20 0 FGADHM CC(C)c1ccc(CN(C(=O)c2cc(-c3nnn[n-]3)cn2C)C2CC2)cc1 ZINC000820192209 606214388 /nfs/dbraw/zinc/21/43/88/606214388.db2.gz GMJBWCIFTHXTOD-UHFFFAOYSA-N -1 3 364.453 3.133 20 0 FGADHM CC(C)c1ccc(CN(C(=O)c2cc(-c3nn[n-]n3)cn2C)C2CC2)cc1 ZINC000820192209 606214390 /nfs/dbraw/zinc/21/43/90/606214390.db2.gz GMJBWCIFTHXTOD-UHFFFAOYSA-N -1 3 364.453 3.133 20 0 FGADHM COc1c(C)cnc(CN(C)c2ccc(-c3nnn[n-]3)c(Cl)c2)c1C ZINC000821698520 606214822 /nfs/dbraw/zinc/21/48/22/606214822.db2.gz NJPXEXLBZXTDTH-UHFFFAOYSA-N -1 3 358.833 3.177 20 0 FGADHM COc1c(C)cnc(CN(C)c2ccc(-c3nn[n-]n3)c(Cl)c2)c1C ZINC000821698520 606214824 /nfs/dbraw/zinc/21/48/24/606214824.db2.gz NJPXEXLBZXTDTH-UHFFFAOYSA-N -1 3 358.833 3.177 20 0 FGADHM CCCN(C(=O)c1cc(-c2nnn[n-]2)cn1C)[C@H](CC)c1ccccc1 ZINC000821083414 606221259 /nfs/dbraw/zinc/22/12/59/606221259.db2.gz YLDDPAKURVHLKN-MRXNPFEDSA-N -1 3 352.442 3.209 20 0 FGADHM CCCN(C(=O)c1cc(-c2nn[n-]n2)cn1C)[C@H](CC)c1ccccc1 ZINC000821083414 606221261 /nfs/dbraw/zinc/22/12/61/606221261.db2.gz YLDDPAKURVHLKN-MRXNPFEDSA-N -1 3 352.442 3.209 20 0 FGADHM CC(C)(C)n1ncc2c1CCC[C@@H]2Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC000819976086 606223821 /nfs/dbraw/zinc/22/38/21/606223821.db2.gz LEQYYAZRSZDNEZ-ZDUSSCGKSA-N -1 3 372.864 3.356 20 0 FGADHM CC(C)(C)n1ncc2c1CCC[C@@H]2Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC000819976086 606223823 /nfs/dbraw/zinc/22/38/23/606223823.db2.gz LEQYYAZRSZDNEZ-ZDUSSCGKSA-N -1 3 372.864 3.356 20 0 FGADHM C[C@@H](OC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1ccc(OC(F)(F)F)cc1 ZINC000820502000 606228627 /nfs/dbraw/zinc/22/86/27/606228627.db2.gz MFQKIQPLOKBCLN-MRVPVSSYSA-N -1 3 367.287 3.011 20 0 FGADHM C[C@@H](OC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1ccc(OC(F)(F)F)cc1 ZINC000820502000 606228628 /nfs/dbraw/zinc/22/86/28/606228628.db2.gz MFQKIQPLOKBCLN-MRVPVSSYSA-N -1 3 367.287 3.011 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1N[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000822220434 606248267 /nfs/dbraw/zinc/24/82/67/606248267.db2.gz QZGOHMLCBMFMBG-CQSZACIVSA-N -1 3 368.828 3.046 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1N[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000822220434 606248269 /nfs/dbraw/zinc/24/82/69/606248269.db2.gz QZGOHMLCBMFMBG-CQSZACIVSA-N -1 3 368.828 3.046 20 0 FGADHM C[C@H]1CCc2sc(C(=O)Nc3ccc(F)cc3-c3nnn[n-]3)cc2C1 ZINC000820736437 606262426 /nfs/dbraw/zinc/26/24/26/606262426.db2.gz ZLEOJYJHYRTMFF-VIFPVBQESA-N -1 3 357.414 3.444 20 0 FGADHM C[C@H]1CCc2sc(C(=O)Nc3ccc(F)cc3-c3nn[n-]n3)cc2C1 ZINC000820736437 606262427 /nfs/dbraw/zinc/26/24/27/606262427.db2.gz ZLEOJYJHYRTMFF-VIFPVBQESA-N -1 3 357.414 3.444 20 0 FGADHM Cc1cc(C)c(C)c(OCCC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000822194431 606264834 /nfs/dbraw/zinc/26/48/34/606264834.db2.gz XCEZWKDFOFOANX-UHFFFAOYSA-N -1 3 369.400 3.339 20 0 FGADHM Cc1cc(C)c(C)c(OCCC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000822194431 606264835 /nfs/dbraw/zinc/26/48/35/606264835.db2.gz XCEZWKDFOFOANX-UHFFFAOYSA-N -1 3 369.400 3.339 20 0 FGADHM COc1cccc(C(C)=CC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000821858101 606272860 /nfs/dbraw/zinc/27/28/60/606272860.db2.gz DCBKBCXNOFNEJG-FLIBITNWSA-N -1 3 353.357 3.056 20 0 FGADHM COc1cccc(C(C)=CC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000821858101 606272861 /nfs/dbraw/zinc/27/28/61/606272861.db2.gz DCBKBCXNOFNEJG-FLIBITNWSA-N -1 3 353.357 3.056 20 0 FGADHM c1cc(Oc2ccc(-c3nnn[n-]3)cc2)ccc1OCC1CCOCC1 ZINC000823762874 606307474 /nfs/dbraw/zinc/30/74/74/606307474.db2.gz VQSCKINXEKCJIP-UHFFFAOYSA-N -1 3 352.394 3.464 20 0 FGADHM c1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1OCC1CCOCC1 ZINC000823762874 606307477 /nfs/dbraw/zinc/30/74/77/606307477.db2.gz VQSCKINXEKCJIP-UHFFFAOYSA-N -1 3 352.394 3.464 20 0 FGADHM Cc1ccccc1S[C@@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O ZINC000822366079 606311262 /nfs/dbraw/zinc/31/12/62/606311262.db2.gz AQVGUSFNNUUREO-CYBMUJFWSA-N -1 3 357.464 3.134 20 0 FGADHM Cc1ccccc1S[C@@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O ZINC000822366079 606311263 /nfs/dbraw/zinc/31/12/63/606311263.db2.gz AQVGUSFNNUUREO-CYBMUJFWSA-N -1 3 357.464 3.134 20 0 FGADHM Cc1ccccc1Cc1nc(CSc2ccccc2-c2nnn[n-]2)no1 ZINC000822362443 606313150 /nfs/dbraw/zinc/31/31/50/606313150.db2.gz TXBJFPNEXYQMFK-UHFFFAOYSA-N -1 3 364.434 3.441 20 0 FGADHM Cc1ccccc1Cc1nc(CSc2ccccc2-c2nn[n-]n2)no1 ZINC000822362443 606313152 /nfs/dbraw/zinc/31/31/52/606313152.db2.gz TXBJFPNEXYQMFK-UHFFFAOYSA-N -1 3 364.434 3.441 20 0 FGADHM O=C(CSc1cccc(-c2nnn[n-]2)c1)Nc1cc(Cl)ccc1F ZINC000823070754 606324946 /nfs/dbraw/zinc/32/49/46/606324946.db2.gz MMRVYWIXLZGZNL-UHFFFAOYSA-N -1 3 363.805 3.390 20 0 FGADHM O=C(CSc1cccc(-c2nn[n-]n2)c1)Nc1cc(Cl)ccc1F ZINC000823070754 606324948 /nfs/dbraw/zinc/32/49/48/606324948.db2.gz MMRVYWIXLZGZNL-UHFFFAOYSA-N -1 3 363.805 3.390 20 0 FGADHM O=C1[C@H](Sc2cccc(-c3nnn[n-]3)c2)CCN1c1ccccc1Cl ZINC000823514312 606326948 /nfs/dbraw/zinc/32/69/48/606326948.db2.gz YQVAQHVZEUZJGO-OAHLLOKOSA-N -1 3 371.853 3.418 20 0 FGADHM O=C1[C@H](Sc2cccc(-c3nn[n-]n3)c2)CCN1c1ccccc1Cl ZINC000823514312 606326950 /nfs/dbraw/zinc/32/69/50/606326950.db2.gz YQVAQHVZEUZJGO-OAHLLOKOSA-N -1 3 371.853 3.418 20 0 FGADHM O=C(CSc1cccc(-c2nnn[n-]2)c1)N[C@@H](c1ccccc1)C1CC1 ZINC000823070646 606328205 /nfs/dbraw/zinc/32/82/05/606328205.db2.gz IZOUONOCSHWTJA-SFHVURJKSA-N -1 3 365.462 3.226 20 0 FGADHM O=C(CSc1cccc(-c2nn[n-]n2)c1)N[C@@H](c1ccccc1)C1CC1 ZINC000823070646 606328207 /nfs/dbraw/zinc/32/82/07/606328207.db2.gz IZOUONOCSHWTJA-SFHVURJKSA-N -1 3 365.462 3.226 20 0 FGADHM C[C@H](CNC(=O)Nc1ccc(F)cc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000820269889 606347074 /nfs/dbraw/zinc/34/70/74/606347074.db2.gz PJHCNKLVRSDJPK-SNVBAGLBSA-N -1 3 358.352 3.070 20 0 FGADHM C[C@H](CNC(=O)Nc1ccc(F)cc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000820269889 606347077 /nfs/dbraw/zinc/34/70/77/606347077.db2.gz PJHCNKLVRSDJPK-SNVBAGLBSA-N -1 3 358.352 3.070 20 0 FGADHM Cc1cccc(O[C@H](C)C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822328452 606347145 /nfs/dbraw/zinc/34/71/45/606347145.db2.gz QBAUKHWEJZWXNW-ZIAGYGMSSA-N -1 3 352.394 3.247 20 0 FGADHM Cc1cccc(O[C@H](C)C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822328452 606347147 /nfs/dbraw/zinc/34/71/47/606347147.db2.gz QBAUKHWEJZWXNW-ZIAGYGMSSA-N -1 3 352.394 3.247 20 0 FGADHM C[C@@H](Oc1ccc(F)c(F)c1)C(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820534244 606352925 /nfs/dbraw/zinc/35/29/25/606352925.db2.gz KLIHNMZELUUVIX-WDEREUQCSA-N -1 3 374.347 3.217 20 0 FGADHM C[C@@H](Oc1ccc(F)c(F)c1)C(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820534244 606352926 /nfs/dbraw/zinc/35/29/26/606352926.db2.gz KLIHNMZELUUVIX-WDEREUQCSA-N -1 3 374.347 3.217 20 0 FGADHM C[C@H](Oc1ccc(F)c(F)c1)C(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820534242 606352955 /nfs/dbraw/zinc/35/29/55/606352955.db2.gz KLIHNMZELUUVIX-QWRGUYRKSA-N -1 3 374.347 3.217 20 0 FGADHM C[C@H](Oc1ccc(F)c(F)c1)C(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820534242 606352956 /nfs/dbraw/zinc/35/29/56/606352956.db2.gz KLIHNMZELUUVIX-QWRGUYRKSA-N -1 3 374.347 3.217 20 0 FGADHM CCS[C@@H]1CCC[C@@H](NC(=O)C=Cc2ccccc2-c2nnn[n-]2)C1 ZINC000821447309 606364357 /nfs/dbraw/zinc/36/43/57/606364357.db2.gz IZXURRCRVPKYNT-CINZJOAMSA-N -1 3 357.483 3.060 20 0 FGADHM CCS[C@@H]1CCC[C@@H](NC(=O)C=Cc2ccccc2-c2nn[n-]n2)C1 ZINC000821447309 606364359 /nfs/dbraw/zinc/36/43/59/606364359.db2.gz IZXURRCRVPKYNT-CINZJOAMSA-N -1 3 357.483 3.060 20 0 FGADHM Cc1ccc(O[C@@H](C)C(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)cc1 ZINC000822259041 606415186 /nfs/dbraw/zinc/41/51/86/606415186.db2.gz KRCLPJLFWUJMIM-LBPRGKRZSA-N -1 3 371.828 3.259 20 0 FGADHM Cc1ccc(O[C@@H](C)C(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)cc1 ZINC000822259041 606415188 /nfs/dbraw/zinc/41/51/88/606415188.db2.gz KRCLPJLFWUJMIM-LBPRGKRZSA-N -1 3 371.828 3.259 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1N1CC[C@H](OCCCc2ccccc2)C1 ZINC000822744349 606429112 /nfs/dbraw/zinc/42/91/12/606429112.db2.gz QQKJPNDGRDVJFD-KRWDZBQOSA-N -1 3 367.428 3.234 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N(CC1CCC1)CC(F)(F)F ZINC000823308620 606438589 /nfs/dbraw/zinc/43/85/89/606438589.db2.gz HIDGIEYKSJZLDV-UHFFFAOYSA-N -1 3 354.336 3.063 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N(CC1CCC1)CC(F)(F)F ZINC000823308620 606438591 /nfs/dbraw/zinc/43/85/91/606438591.db2.gz HIDGIEYKSJZLDV-UHFFFAOYSA-N -1 3 354.336 3.063 20 0 FGADHM CCc1ccccc1NC(=O)CN(C)c1c(Cl)cccc1-c1nnn[n-]1 ZINC000821496195 606439791 /nfs/dbraw/zinc/43/97/91/606439791.db2.gz FLDZICVSLOEQHM-UHFFFAOYSA-N -1 3 370.844 3.157 20 0 FGADHM CCc1ccccc1NC(=O)CN(C)c1c(Cl)cccc1-c1nn[n-]n1 ZINC000821496195 606439792 /nfs/dbraw/zinc/43/97/92/606439792.db2.gz FLDZICVSLOEQHM-UHFFFAOYSA-N -1 3 370.844 3.157 20 0 FGADHM C[C@H](Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccc(-n2cncn2)cc1 ZINC000820456100 606441150 /nfs/dbraw/zinc/44/11/50/606441150.db2.gz PWMJEBTVTOTEOP-NSHDSACASA-N -1 3 366.816 3.274 20 0 FGADHM C[C@H](Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc(-n2cncn2)cc1 ZINC000820456100 606441152 /nfs/dbraw/zinc/44/11/52/606441152.db2.gz PWMJEBTVTOTEOP-NSHDSACASA-N -1 3 366.816 3.274 20 0 FGADHM O=C(O[C@H](c1ccccc1)c1ccccn1)c1cc(-c2nnn[n-]2)cs1 ZINC000823392679 606463153 /nfs/dbraw/zinc/46/31/53/606463153.db2.gz RMOSMYWXPBUQNU-MRXNPFEDSA-N -1 3 363.402 3.270 20 0 FGADHM O=C(O[C@H](c1ccccc1)c1ccccn1)c1cc(-c2nn[n-]n2)cs1 ZINC000823392679 606463154 /nfs/dbraw/zinc/46/31/54/606463154.db2.gz RMOSMYWXPBUQNU-MRXNPFEDSA-N -1 3 363.402 3.270 20 0 FGADHM Cc1ccccc1[C@@H]1CN(c2cccc(F)c2-c2nnn[n-]2)[C@@H](C)CO1 ZINC000822351745 606476399 /nfs/dbraw/zinc/47/63/99/606476399.db2.gz PVMNWGVIERAUTD-GUYCJALGSA-N -1 3 353.401 3.281 20 0 FGADHM Cc1ccccc1[C@@H]1CN(c2cccc(F)c2-c2nn[n-]n2)[C@@H](C)CO1 ZINC000822351745 606476401 /nfs/dbraw/zinc/47/64/01/606476401.db2.gz PVMNWGVIERAUTD-GUYCJALGSA-N -1 3 353.401 3.281 20 0 FGADHM O=C(NC[C@@H]1CCC[C@@H](C(F)(F)F)C1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000823175910 606482464 /nfs/dbraw/zinc/48/24/64/606482464.db2.gz OHWZOBHKHFQJAT-ZYHUDNBSSA-N -1 3 368.363 3.357 20 0 FGADHM O=C(NC[C@@H]1CCC[C@@H](C(F)(F)F)C1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000823175910 606482465 /nfs/dbraw/zinc/48/24/65/606482465.db2.gz OHWZOBHKHFQJAT-ZYHUDNBSSA-N -1 3 368.363 3.357 20 0 FGADHM O=C(N[C@@H](c1ccco1)c1ccccc1)c1cc(-c2nnn[n-]2)cs1 ZINC000823140741 606486058 /nfs/dbraw/zinc/48/60/58/606486058.db2.gz ZAIFDMUUSZBYLY-OAHLLOKOSA-N -1 3 351.391 3.041 20 0 FGADHM O=C(N[C@@H](c1ccco1)c1ccccc1)c1cc(-c2nn[n-]n2)cs1 ZINC000823140741 606486059 /nfs/dbraw/zinc/48/60/59/606486059.db2.gz ZAIFDMUUSZBYLY-OAHLLOKOSA-N -1 3 351.391 3.041 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1ccc(SC(F)F)cc1 ZINC000823103620 606486294 /nfs/dbraw/zinc/48/62/94/606486294.db2.gz JTGBYURFMLYBTB-UHFFFAOYSA-N -1 3 361.377 3.363 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1ccc(SC(F)F)cc1 ZINC000823103620 606486296 /nfs/dbraw/zinc/48/62/96/606486296.db2.gz JTGBYURFMLYBTB-UHFFFAOYSA-N -1 3 361.377 3.363 20 0 FGADHM CC(C)CC(=O)Nc1ccc(NC(=O)c2cc(-c3nnn[n-]3)cs2)cc1 ZINC000820050651 606488379 /nfs/dbraw/zinc/48/83/79/606488379.db2.gz DPSWDCIKVWRJEV-UHFFFAOYSA-N -1 3 370.438 3.165 20 0 FGADHM CC(C)CC(=O)Nc1ccc(NC(=O)c2cc(-c3nn[n-]n3)cs2)cc1 ZINC000820050651 606488380 /nfs/dbraw/zinc/48/83/80/606488380.db2.gz DPSWDCIKVWRJEV-UHFFFAOYSA-N -1 3 370.438 3.165 20 0 FGADHM C[C@H]1C[C@@H]1c1ccc(CN(C(=O)c2cc(-c3nnn[n-]3)cs2)C2CC2)o1 ZINC000820674713 606493267 /nfs/dbraw/zinc/49/32/67/606493267.db2.gz GIHCSMZJLXAOHB-HZMBPMFUSA-N -1 3 369.450 3.449 20 0 FGADHM C[C@H]1C[C@@H]1c1ccc(CN(C(=O)c2cc(-c3nn[n-]n3)cs2)C2CC2)o1 ZINC000820674713 606493268 /nfs/dbraw/zinc/49/32/68/606493268.db2.gz GIHCSMZJLXAOHB-HZMBPMFUSA-N -1 3 369.450 3.449 20 0 FGADHM COc1ccc2ccc(OC(=O)Cc3cccc(-c4nnn[n-]4)c3)cc2c1 ZINC000821854801 606495153 /nfs/dbraw/zinc/49/51/53/606495153.db2.gz VYSCNNNFQXQBOU-UHFFFAOYSA-N -1 3 360.373 3.177 20 0 FGADHM COc1ccc2ccc(OC(=O)Cc3cccc(-c4nn[n-]n4)c3)cc2c1 ZINC000821854801 606495154 /nfs/dbraw/zinc/49/51/54/606495154.db2.gz VYSCNNNFQXQBOU-UHFFFAOYSA-N -1 3 360.373 3.177 20 0 FGADHM CC(C)n1ncc2ccc(NC(=O)c3cc(-c4nnn[n-]4)cs3)cc21 ZINC000820214435 606500291 /nfs/dbraw/zinc/50/02/91/606500291.db2.gz BEMSHKYGSFDQNW-UHFFFAOYSA-N -1 3 353.411 3.111 20 0 FGADHM CC(C)n1ncc2ccc(NC(=O)c3cc(-c4nn[n-]n4)cs3)cc21 ZINC000820214435 606500293 /nfs/dbraw/zinc/50/02/93/606500293.db2.gz BEMSHKYGSFDQNW-UHFFFAOYSA-N -1 3 353.411 3.111 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)NCc1cccc(Cl)c1Cl ZINC000823097805 606504262 /nfs/dbraw/zinc/50/42/62/606504262.db2.gz CCIMFEGBBXHJCU-UHFFFAOYSA-N -1 3 362.220 3.032 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)NCc1cccc(Cl)c1Cl ZINC000823097805 606504263 /nfs/dbraw/zinc/50/42/63/606504263.db2.gz CCIMFEGBBXHJCU-UHFFFAOYSA-N -1 3 362.220 3.032 20 0 FGADHM C[C@@H](c1cccc(Cl)c1)N(C)C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820564070 606504817 /nfs/dbraw/zinc/50/48/17/606504817.db2.gz XZWYTKUNYPRTJM-LBPRGKRZSA-N -1 3 355.829 3.282 20 0 FGADHM C[C@@H](c1cccc(Cl)c1)N(C)C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820564070 606504819 /nfs/dbraw/zinc/50/48/19/606504819.db2.gz XZWYTKUNYPRTJM-LBPRGKRZSA-N -1 3 355.829 3.282 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N1CCCc2cc(Cl)ccc21 ZINC000823087335 606507788 /nfs/dbraw/zinc/50/77/88/606507788.db2.gz PAJUGAYPDPVFGG-UHFFFAOYSA-N -1 3 353.813 3.042 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N1CCCc2cc(Cl)ccc21 ZINC000823087335 606507789 /nfs/dbraw/zinc/50/77/89/606507789.db2.gz PAJUGAYPDPVFGG-UHFFFAOYSA-N -1 3 353.813 3.042 20 0 FGADHM CCN(C(=O)Cc1cccc(-c2nnn[n-]2)c1)[C@H](C)c1ccc(F)cc1 ZINC000821155400 606512831 /nfs/dbraw/zinc/51/28/31/606512831.db2.gz YSQJXKYCWZEWLI-CYBMUJFWSA-N -1 3 353.401 3.158 20 0 FGADHM CCN(C(=O)Cc1cccc(-c2nn[n-]n2)c1)[C@H](C)c1ccc(F)cc1 ZINC000821155400 606512832 /nfs/dbraw/zinc/51/28/32/606512832.db2.gz YSQJXKYCWZEWLI-CYBMUJFWSA-N -1 3 353.401 3.158 20 0 FGADHM Cc1nc(-c2cccc(NC(=O)Cc3cccc(-c4nnn[n-]4)c3)c2)oc1C ZINC000822418686 606517607 /nfs/dbraw/zinc/51/76/07/606517607.db2.gz DEEUVWPOCMEQBA-UHFFFAOYSA-N -1 3 374.404 3.320 20 0 FGADHM Cc1nc(-c2cccc(NC(=O)Cc3cccc(-c4nn[n-]n4)c3)c2)oc1C ZINC000822418686 606517608 /nfs/dbraw/zinc/51/76/08/606517608.db2.gz DEEUVWPOCMEQBA-UHFFFAOYSA-N -1 3 374.404 3.320 20 0 FGADHM O=C(Nc1ccnn1-c1ccc(Cl)cc1)c1cc(-c2nnn[n-]2)cs1 ZINC000823375972 606521517 /nfs/dbraw/zinc/52/15/17/606521517.db2.gz SEXONYAZXZIGON-UHFFFAOYSA-N -1 3 371.813 3.020 20 0 FGADHM O=C(Nc1ccnn1-c1ccc(Cl)cc1)c1cc(-c2nn[n-]n2)cs1 ZINC000823375972 606521519 /nfs/dbraw/zinc/52/15/19/606521519.db2.gz SEXONYAZXZIGON-UHFFFAOYSA-N -1 3 371.813 3.020 20 0 FGADHM C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)c2cc(-c3nnn[n-]3)cs2)C1 ZINC000820667139 606542587 /nfs/dbraw/zinc/54/25/87/606542587.db2.gz LFXOLZLPQHWUIY-YGRLFVJLSA-N -1 3 357.414 3.291 20 0 FGADHM C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)c2cc(-c3nn[n-]n3)cs2)C1 ZINC000820667139 606542589 /nfs/dbraw/zinc/54/25/89/606542589.db2.gz LFXOLZLPQHWUIY-YGRLFVJLSA-N -1 3 357.414 3.291 20 0 FGADHM O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1cc(-c2nnn[n-]2)cs1 ZINC000823219016 606543412 /nfs/dbraw/zinc/54/34/12/606543412.db2.gz DVNLSNXEZBIDSD-UHFFFAOYSA-N -1 3 372.841 3.035 20 0 FGADHM O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1cc(-c2nn[n-]n2)cs1 ZINC000823219016 606543414 /nfs/dbraw/zinc/54/34/14/606543414.db2.gz DVNLSNXEZBIDSD-UHFFFAOYSA-N -1 3 372.841 3.035 20 0 FGADHM C[C@@H]1Sc2ccccc2N(C(=O)c2cc(-c3nnn[n-]3)cs2)[C@H]1C ZINC000820819958 606544070 /nfs/dbraw/zinc/54/40/70/606544070.db2.gz LPDCPOXBFOZTNW-UWVGGRQHSA-N -1 3 357.464 3.458 20 0 FGADHM C[C@@H]1Sc2ccccc2N(C(=O)c2cc(-c3nn[n-]n3)cs2)[C@H]1C ZINC000820819958 606544072 /nfs/dbraw/zinc/54/40/72/606544072.db2.gz LPDCPOXBFOZTNW-UWVGGRQHSA-N -1 3 357.464 3.458 20 0 FGADHM CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820937997 606548475 /nfs/dbraw/zinc/54/84/75/606548475.db2.gz GJWUZUARMCQJDW-INIZCTEOSA-N -1 3 355.373 3.110 20 0 FGADHM CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820937997 606548477 /nfs/dbraw/zinc/54/84/77/606548477.db2.gz GJWUZUARMCQJDW-INIZCTEOSA-N -1 3 355.373 3.110 20 0 FGADHM Cc1cscc1C(=O)OCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000822414504 606561507 /nfs/dbraw/zinc/56/15/07/606561507.db2.gz IEWYMXZJDKUCAP-UHFFFAOYSA-N -1 3 366.349 3.195 20 0 FGADHM Cc1cscc1C(=O)OCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000822414504 606561508 /nfs/dbraw/zinc/56/15/08/606561508.db2.gz IEWYMXZJDKUCAP-UHFFFAOYSA-N -1 3 366.349 3.195 20 0 FGADHM CC[C@H](NC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)s1 ZINC000820913319 606562962 /nfs/dbraw/zinc/56/29/62/606562962.db2.gz FKJQLYAURMJDNT-LBPRGKRZSA-N -1 3 361.858 3.392 20 0 FGADHM CC[C@H](NC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)s1 ZINC000820913319 606562964 /nfs/dbraw/zinc/56/29/64/606562964.db2.gz FKJQLYAURMJDNT-LBPRGKRZSA-N -1 3 361.858 3.392 20 0 FGADHM O=C(OCCCOc1cccc(Cl)c1)c1cc(-c2nnn[n-]2)cs1 ZINC000823405823 606569595 /nfs/dbraw/zinc/56/95/95/606569595.db2.gz WMZQMRBSRJMOSE-UHFFFAOYSA-N -1 3 364.814 3.208 20 0 FGADHM O=C(OCCCOc1cccc(Cl)c1)c1cc(-c2nn[n-]n2)cs1 ZINC000823405823 606569596 /nfs/dbraw/zinc/56/95/96/606569596.db2.gz WMZQMRBSRJMOSE-UHFFFAOYSA-N -1 3 364.814 3.208 20 0 FGADHM O=C(OCc1cc(-c2cccs2)on1)c1cc(-c2nnn[n-]2)cs1 ZINC000823414549 606569655 /nfs/dbraw/zinc/56/96/55/606569655.db2.gz ZJDLNVKZSAUOMM-UHFFFAOYSA-N -1 3 359.392 3.002 20 0 FGADHM O=C(OCc1cc(-c2cccs2)on1)c1cc(-c2nn[n-]n2)cs1 ZINC000823414549 606569656 /nfs/dbraw/zinc/56/96/56/606569656.db2.gz ZJDLNVKZSAUOMM-UHFFFAOYSA-N -1 3 359.392 3.002 20 0 FGADHM CC[C@H](Oc1cccc(C)c1)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820938268 606579113 /nfs/dbraw/zinc/57/91/13/606579113.db2.gz HTKNKQYOLYDGHX-KSSFIOAISA-N -1 3 365.437 3.210 20 0 FGADHM CC[C@H](Oc1cccc(C)c1)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820938268 606579114 /nfs/dbraw/zinc/57/91/14/606579114.db2.gz HTKNKQYOLYDGHX-KSSFIOAISA-N -1 3 365.437 3.210 20 0 FGADHM CC(=O)c1ccccc1OCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000819845188 606588658 /nfs/dbraw/zinc/58/86/58/606588658.db2.gz QPKDCUVMKABSJS-UHFFFAOYSA-N -1 3 360.320 3.250 20 0 FGADHM CC(=O)c1ccccc1OCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000819845188 606588660 /nfs/dbraw/zinc/58/86/60/606588660.db2.gz QPKDCUVMKABSJS-UHFFFAOYSA-N -1 3 360.320 3.250 20 0 FGADHM COCc1cccc(OCc2ccc(-c3nnn[n-]3)cc2OC(F)F)c1 ZINC000821695805 606594666 /nfs/dbraw/zinc/59/46/66/606594666.db2.gz JEJAFVGPAVKQET-UHFFFAOYSA-N -1 3 362.336 3.194 20 0 FGADHM COCc1cccc(OCc2ccc(-c3nn[n-]n3)cc2OC(F)F)c1 ZINC000821695805 606594667 /nfs/dbraw/zinc/59/46/67/606594667.db2.gz JEJAFVGPAVKQET-UHFFFAOYSA-N -1 3 362.336 3.194 20 0 FGADHM Fc1cc(NCc2ccc(-c3nnn[n-]3)cc2OC(F)F)cc(F)c1F ZINC000822753657 606597703 /nfs/dbraw/zinc/59/77/03/606597703.db2.gz RFXTXFKIVAVPHQ-UHFFFAOYSA-N -1 3 371.269 3.498 20 0 FGADHM Fc1cc(NCc2ccc(-c3nn[n-]n3)cc2OC(F)F)cc(F)c1F ZINC000822753657 606597705 /nfs/dbraw/zinc/59/77/05/606597705.db2.gz RFXTXFKIVAVPHQ-UHFFFAOYSA-N -1 3 371.269 3.498 20 0 FGADHM FC(F)Oc1cc(-c2nnn[n-]2)ccc1CSC[C@H]1CCCCO1 ZINC000822733131 606598815 /nfs/dbraw/zinc/59/88/15/606598815.db2.gz QWWCNGQBQPFFHK-GFCCVEGCSA-N -1 3 356.398 3.270 20 0 FGADHM FC(F)Oc1cc(-c2nn[n-]n2)ccc1CSC[C@H]1CCCCO1 ZINC000822733131 606598816 /nfs/dbraw/zinc/59/88/16/606598816.db2.gz QWWCNGQBQPFFHK-GFCCVEGCSA-N -1 3 356.398 3.270 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)c1cc2cccc(Cl)c2o1 ZINC000821699572 606602549 /nfs/dbraw/zinc/60/25/49/606602549.db2.gz VHOJIEBYWWEFIS-UHFFFAOYSA-N -1 3 370.752 3.494 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)c1cc2cccc(Cl)c2o1 ZINC000821699572 606602551 /nfs/dbraw/zinc/60/25/51/606602551.db2.gz VHOJIEBYWWEFIS-UHFFFAOYSA-N -1 3 370.752 3.494 20 0 FGADHM COc1cccc([C@@H](C)CC(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821859846 606602651 /nfs/dbraw/zinc/60/26/51/606602651.db2.gz UHDKVIMNCJSIGX-KBPBESRZSA-N -1 3 365.437 3.246 20 0 FGADHM COc1cccc([C@@H](C)CC(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821859846 606602653 /nfs/dbraw/zinc/60/26/53/606602653.db2.gz UHDKVIMNCJSIGX-KBPBESRZSA-N -1 3 365.437 3.246 20 0 FGADHM CC(C)CC(C)(C)C(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000820050824 606603514 /nfs/dbraw/zinc/60/35/14/606603514.db2.gz GZMWNUVWAPVBNP-UHFFFAOYSA-N -1 3 371.485 3.309 20 0 FGADHM CC(C)CC(C)(C)C(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000820050824 606603515 /nfs/dbraw/zinc/60/35/15/606603515.db2.gz GZMWNUVWAPVBNP-UHFFFAOYSA-N -1 3 371.485 3.309 20 0 FGADHM O=C(c1cccc(-c2nnn[n-]2)c1)N1CCC[C@@]2(CCCc3ccccc32)C1 ZINC000823488967 606607398 /nfs/dbraw/zinc/60/73/98/606607398.db2.gz ZOUCZEDSFBVTKC-QFIPXVFZSA-N -1 3 373.460 3.377 20 0 FGADHM O=C(c1cccc(-c2nn[n-]n2)c1)N1CCC[C@@]2(CCCc3ccccc32)C1 ZINC000823488967 606607401 /nfs/dbraw/zinc/60/74/01/606607401.db2.gz ZOUCZEDSFBVTKC-QFIPXVFZSA-N -1 3 373.460 3.377 20 0 FGADHM C[C@H]1CCCCN1C(=O)CSc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000820703995 606630524 /nfs/dbraw/zinc/63/05/24/606630524.db2.gz LDURPKPRVFVCHR-JTQLQIEISA-N -1 3 351.863 3.013 20 0 FGADHM C[C@H]1CCCCN1C(=O)CSc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000820703995 606630526 /nfs/dbraw/zinc/63/05/26/606630526.db2.gz LDURPKPRVFVCHR-JTQLQIEISA-N -1 3 351.863 3.013 20 0 FGADHM CCCCOC(=O)c1ccc(NCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821071879 606637257 /nfs/dbraw/zinc/63/72/57/606637257.db2.gz NBDLKVGKZUCDNV-UHFFFAOYSA-N -1 3 351.410 3.436 20 0 FGADHM CCCCOC(=O)c1ccc(NCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821071879 606637258 /nfs/dbraw/zinc/63/72/58/606637258.db2.gz NBDLKVGKZUCDNV-UHFFFAOYSA-N -1 3 351.410 3.436 20 0 FGADHM Cn1c2ccccc2nc1[C@@H]1CCCN1c1cccc(F)c1-c1nnn[n-]1 ZINC000822596003 606637506 /nfs/dbraw/zinc/63/75/06/606637506.db2.gz GGUXSEMAFIEVAG-INIZCTEOSA-N -1 3 363.400 3.234 20 0 FGADHM Cn1c2ccccc2nc1[C@@H]1CCCN1c1cccc(F)c1-c1nn[n-]n1 ZINC000822596003 606637507 /nfs/dbraw/zinc/63/75/07/606637507.db2.gz GGUXSEMAFIEVAG-INIZCTEOSA-N -1 3 363.400 3.234 20 0 FGADHM Cc1cccc(Cl)c1N[C@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O ZINC000822303786 606638982 /nfs/dbraw/zinc/63/89/82/606638982.db2.gz JCINBFHSTMQRRZ-LBPRGKRZSA-N -1 3 374.857 3.107 20 0 FGADHM Cc1cccc(Cl)c1N[C@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O ZINC000822303786 606638983 /nfs/dbraw/zinc/63/89/83/606638983.db2.gz JCINBFHSTMQRRZ-LBPRGKRZSA-N -1 3 374.857 3.107 20 0 FGADHM Cc1sc(CCNc2ccc(-c3nnn[n-]3)cn2)nc1-c1ccccc1 ZINC000822552567 606644162 /nfs/dbraw/zinc/64/41/62/606644162.db2.gz CMVJFOGYWBSONW-UHFFFAOYSA-N -1 3 363.450 3.348 20 0 FGADHM Cc1sc(CCNc2ccc(-c3nn[n-]n3)cn2)nc1-c1ccccc1 ZINC000822552567 606644163 /nfs/dbraw/zinc/64/41/63/606644163.db2.gz CMVJFOGYWBSONW-UHFFFAOYSA-N -1 3 363.450 3.348 20 0 FGADHM CCc1ccc([C@H](C)NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1 ZINC000821481408 606662000 /nfs/dbraw/zinc/66/20/00/606662000.db2.gz JQWPCYVBIBWNGU-JTQLQIEISA-N -1 3 357.364 3.198 20 0 FGADHM CCc1ccc([C@H](C)NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1 ZINC000821481408 606662001 /nfs/dbraw/zinc/66/20/01/606662001.db2.gz JQWPCYVBIBWNGU-JTQLQIEISA-N -1 3 357.364 3.198 20 0 FGADHM COc1cc(C)c(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1OC ZINC000821708752 606665360 /nfs/dbraw/zinc/66/53/60/606665360.db2.gz YSUATKDGZIVTIG-UHFFFAOYSA-N -1 3 373.800 3.098 20 0 FGADHM COc1cc(C)c(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1OC ZINC000821708752 606665361 /nfs/dbraw/zinc/66/53/61/606665361.db2.gz YSUATKDGZIVTIG-UHFFFAOYSA-N -1 3 373.800 3.098 20 0 FGADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)[C@H]1C[C@H]1Cc1ccccc1 ZINC000823333045 606665746 /nfs/dbraw/zinc/66/57/46/606665746.db2.gz XJKNRKLSKYHBJR-OCCSQVGLSA-N -1 3 353.813 3.337 20 0 FGADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)[C@H]1C[C@H]1Cc1ccccc1 ZINC000823333045 606665747 /nfs/dbraw/zinc/66/57/47/606665747.db2.gz XJKNRKLSKYHBJR-OCCSQVGLSA-N -1 3 353.813 3.337 20 0 FGADHM C[C@H](c1ccco1)N(C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)C1CC1 ZINC000820571434 606674283 /nfs/dbraw/zinc/67/42/83/606674283.db2.gz YKICWKSMSRYUDH-SECBINFHSA-N -1 3 359.336 3.104 20 0 FGADHM C[C@H](c1ccco1)N(C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)C1CC1 ZINC000820571434 606674284 /nfs/dbraw/zinc/67/42/84/606674284.db2.gz YKICWKSMSRYUDH-SECBINFHSA-N -1 3 359.336 3.104 20 0 FGADHM Cc1cccc([C@H](C)NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c1C ZINC000822289085 606680187 /nfs/dbraw/zinc/68/01/87/606680187.db2.gz RBTWCNYNUAWYCY-NSHDSACASA-N -1 3 357.364 3.253 20 0 FGADHM Cc1cccc([C@H](C)NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c1C ZINC000822289085 606680188 /nfs/dbraw/zinc/68/01/88/606680188.db2.gz RBTWCNYNUAWYCY-NSHDSACASA-N -1 3 357.364 3.253 20 0 FGADHM C[C@H](NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)[C@@H](C)c1ccccc1 ZINC000820385803 606684711 /nfs/dbraw/zinc/68/47/11/606684711.db2.gz UNZGCTKZCMSSBB-MNOVXSKESA-N -1 3 357.364 3.067 20 0 FGADHM C[C@H](NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)[C@@H](C)c1ccccc1 ZINC000820385803 606684712 /nfs/dbraw/zinc/68/47/12/606684712.db2.gz UNZGCTKZCMSSBB-MNOVXSKESA-N -1 3 357.364 3.067 20 0 FGADHM COC[C@H](C)CC(=O)Oc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821681690 606685010 /nfs/dbraw/zinc/68/50/10/606685010.db2.gz PSVBWYQOHJTQND-CYBMUJFWSA-N -1 3 368.393 3.237 20 0 FGADHM COC[C@H](C)CC(=O)Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821681690 606685011 /nfs/dbraw/zinc/68/50/11/606685011.db2.gz PSVBWYQOHJTQND-CYBMUJFWSA-N -1 3 368.393 3.237 20 0 FGADHM CCc1cccc(C)c1NCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000821492118 606697880 /nfs/dbraw/zinc/69/78/80/606697880.db2.gz HTZZXCGMVOMBOH-UHFFFAOYSA-N -1 3 361.409 3.400 20 0 FGADHM CCc1cccc(C)c1NCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000821492118 606697882 /nfs/dbraw/zinc/69/78/82/606697882.db2.gz HTZZXCGMVOMBOH-UHFFFAOYSA-N -1 3 361.409 3.400 20 0 FGADHM CCN(Cc1ccsc1C(=O)OC)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821231158 606703716 /nfs/dbraw/zinc/70/37/16/606703716.db2.gz WONCATGMPMESGR-GFCCVEGCSA-N -1 3 371.466 3.298 20 0 FGADHM CC[C@H](C)C(=O)COC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000820864129 606750886 /nfs/dbraw/zinc/75/08/86/606750886.db2.gz WVBWBNYUIIGWQG-ZDUSSCGKSA-N -1 3 364.405 3.306 20 0 FGADHM CC[C@H](C)C(=O)COC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000820864129 606750887 /nfs/dbraw/zinc/75/08/87/606750887.db2.gz WVBWBNYUIIGWQG-ZDUSSCGKSA-N -1 3 364.405 3.306 20 0 FGADHM C[C@H](CNc1ccccc1)NC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820280233 606773483 /nfs/dbraw/zinc/77/34/83/606773483.db2.gz BKLKIVPNSPTFMZ-LLVKDONJSA-N -1 3 371.832 3.142 20 0 FGADHM C[C@H](CNc1ccccc1)NC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820280233 606773486 /nfs/dbraw/zinc/77/34/86/606773486.db2.gz BKLKIVPNSPTFMZ-LLVKDONJSA-N -1 3 371.832 3.142 20 0 FGADHM FC(F)COc1ccccc1NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000822732565 606777157 /nfs/dbraw/zinc/77/71/57/606777157.db2.gz KGQPBQVLWYACHE-UHFFFAOYSA-N -1 3 361.352 3.002 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)N2CC[C@H](C)C2)cc1 ZINC000822137948 606789924 /nfs/dbraw/zinc/78/99/24/606789924.db2.gz YLFYNKQVPYUSEF-ZDUSSCGKSA-N -1 3 363.421 3.449 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)N2CC[C@H](C)C2)cc1 ZINC000822137948 606789926 /nfs/dbraw/zinc/78/99/26/606789926.db2.gz YLFYNKQVPYUSEF-ZDUSSCGKSA-N -1 3 363.421 3.449 20 0 FGADHM C[C@H](NC(=O)N1CCc2c1cccc2Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000820349856 606834389 /nfs/dbraw/zinc/83/43/89/606834389.db2.gz JLPAUXMUGYQJOQ-NSHDSACASA-N -1 3 368.828 3.353 20 0 FGADHM C[C@H](NC(=O)N1CCc2c1cccc2Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000820349856 606834391 /nfs/dbraw/zinc/83/43/91/606834391.db2.gz JLPAUXMUGYQJOQ-NSHDSACASA-N -1 3 368.828 3.353 20 0 FGADHM CC(C)CC1(CNC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)CC1 ZINC000820061739 606835514 /nfs/dbraw/zinc/83/55/14/606835514.db2.gz FLIREWUOUSCOMR-UHFFFAOYSA-N -1 3 368.485 3.367 20 0 FGADHM CC(C)CC1(CNC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)CC1 ZINC000820061739 606835516 /nfs/dbraw/zinc/83/55/16/606835516.db2.gz FLIREWUOUSCOMR-UHFFFAOYSA-N -1 3 368.485 3.367 20 0 FGADHM CSc1cc(C)ccc1CNC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000821979327 606836479 /nfs/dbraw/zinc/83/64/79/606836479.db2.gz QTNIQSWGJHHDGX-UHFFFAOYSA-N -1 3 372.429 3.358 20 0 FGADHM CSc1cc(C)ccc1CNC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000821979327 606836481 /nfs/dbraw/zinc/83/64/81/606836481.db2.gz QTNIQSWGJHHDGX-UHFFFAOYSA-N -1 3 372.429 3.358 20 0 FGADHM CC[C@H]1CCC[C@H]1NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000820972957 606837474 /nfs/dbraw/zinc/83/74/74/606837474.db2.gz SHHFDGJMROPJQA-DOTOQJQBSA-N -1 3 356.474 3.365 20 0 FGADHM CC[C@H]1CCC[C@H]1NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000820972957 606837475 /nfs/dbraw/zinc/83/74/75/606837475.db2.gz SHHFDGJMROPJQA-DOTOQJQBSA-N -1 3 356.474 3.365 20 0 FGADHM c1cn(C2CCCC2)nc1CSCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000823742379 606841921 /nfs/dbraw/zinc/84/19/21/606841921.db2.gz DTBSESWZMWDWSM-UHFFFAOYSA-N -1 3 370.482 3.491 20 0 FGADHM CCCC(O)(CCC)CC(=O)N(CC)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821023003 606857014 /nfs/dbraw/zinc/85/70/14/606857014.db2.gz VEBCFWWVFSEHQJ-OAHLLOKOSA-N -1 3 373.501 3.498 20 0 FGADHM CCCC(O)(CCC)CC(=O)N(CC)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821023003 606857015 /nfs/dbraw/zinc/85/70/15/606857015.db2.gz VEBCFWWVFSEHQJ-OAHLLOKOSA-N -1 3 373.501 3.498 20 0 FGADHM Fc1cc(F)c2ncc(-c3nnn[n-]3)c(N[C@@H]3CCC(F)(F)C3)c2c1 ZINC000822753939 606882047 /nfs/dbraw/zinc/88/20/47/606882047.db2.gz SEMYHGGWFAONAP-MRVPVSSYSA-N -1 3 352.295 3.293 20 0 FGADHM Fc1cc(F)c2ncc(-c3nn[n-]n3)c(N[C@@H]3CCC(F)(F)C3)c2c1 ZINC000822753939 606882048 /nfs/dbraw/zinc/88/20/48/606882048.db2.gz SEMYHGGWFAONAP-MRVPVSSYSA-N -1 3 352.295 3.293 20 0 FGADHM C[C@@H](OC(=O)c1ccn(C2CCCC2)n1)c1cccc(-c2nnn[n-]2)c1 ZINC000820512166 606920409 /nfs/dbraw/zinc/92/04/09/606920409.db2.gz IAHGTAQAUNGQSA-GFCCVEGCSA-N -1 3 352.398 3.096 20 0 FGADHM C[C@@H](OC(=O)c1ccn(C2CCCC2)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000820512166 606920410 /nfs/dbraw/zinc/92/04/10/606920410.db2.gz IAHGTAQAUNGQSA-GFCCVEGCSA-N -1 3 352.398 3.096 20 0 FGADHM C[C@H](OC(=O)COC/C=C/c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820495613 606920706 /nfs/dbraw/zinc/92/07/06/606920706.db2.gz INAPDSFVVLEDNO-PPYMECGQSA-N -1 3 364.405 3.201 20 0 FGADHM C[C@H](OC(=O)COC/C=C/c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820495613 606920708 /nfs/dbraw/zinc/92/07/08/606920708.db2.gz INAPDSFVVLEDNO-PPYMECGQSA-N -1 3 364.405 3.201 20 0 FGADHM CCNC(=O)c1ccc(Cl)cc1NCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000821294539 606927133 /nfs/dbraw/zinc/92/71/33/606927133.db2.gz VAHDFSGXOSPDFG-UHFFFAOYSA-N -1 3 374.807 3.021 20 0 FGADHM CCNC(=O)c1ccc(Cl)cc1NCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821294539 606927134 /nfs/dbraw/zinc/92/71/34/606927134.db2.gz VAHDFSGXOSPDFG-UHFFFAOYSA-N -1 3 374.807 3.021 20 0 FGADHM C[C@@](O)(CNc1ccc(C(F)(F)F)cc1-c1nnn[n-]1)c1cccs1 ZINC000820467489 606938022 /nfs/dbraw/zinc/93/80/22/606938022.db2.gz IHWFCSAHIMOFGW-CQSZACIVSA-N -1 3 369.372 3.267 20 0 FGADHM C[C@@](O)(CNc1ccc(C(F)(F)F)cc1-c1nn[n-]n1)c1cccs1 ZINC000820467489 606938024 /nfs/dbraw/zinc/93/80/24/606938024.db2.gz IHWFCSAHIMOFGW-CQSZACIVSA-N -1 3 369.372 3.267 20 0 FGADHM C[C@]1(CNc2ccc(C(F)(F)F)cc2-c2nnn[n-]2)CCCC[C@H]1O ZINC000820623753 606941182 /nfs/dbraw/zinc/94/11/82/606941182.db2.gz XUOWFNGFHNUIER-UKRRQHHQSA-N -1 3 355.364 3.239 20 0 FGADHM C[C@]1(CNc2ccc(C(F)(F)F)cc2-c2nn[n-]n2)CCCC[C@H]1O ZINC000820623753 606941184 /nfs/dbraw/zinc/94/11/84/606941184.db2.gz XUOWFNGFHNUIER-UKRRQHHQSA-N -1 3 355.364 3.239 20 0 FGADHM C[C@@H]1CC[C@H](C(=O)OCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)O1 ZINC000820674135 606951933 /nfs/dbraw/zinc/95/19/33/606951933.db2.gz BKNJTOZHMKPILQ-FZKQIMNGSA-N -1 3 364.405 3.144 20 0 FGADHM C[C@@H]1CC[C@H](C(=O)OCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)O1 ZINC000820674135 606951935 /nfs/dbraw/zinc/95/19/35/606951935.db2.gz BKNJTOZHMKPILQ-FZKQIMNGSA-N -1 3 364.405 3.144 20 0 FGADHM CN(C(=O)c1cc(F)c(F)c(F)c1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821573538 606961487 /nfs/dbraw/zinc/96/14/87/606961487.db2.gz UOWFJLMNRLQYRO-UHFFFAOYSA-N -1 3 367.718 3.214 20 0 FGADHM CN(C(=O)c1cc(F)c(F)c(F)c1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821573538 606961489 /nfs/dbraw/zinc/96/14/89/606961489.db2.gz UOWFJLMNRLQYRO-UHFFFAOYSA-N -1 3 367.718 3.214 20 0 FGADHM CCC[C@@H](NC(=O)c1cc(-c2nnn[n-]2)cs1)c1ccc(F)cc1F ZINC000821023090 606982387 /nfs/dbraw/zinc/98/23/87/606982387.db2.gz WAGFQZDCHJTCPF-CYBMUJFWSA-N -1 3 363.393 3.478 20 0 FGADHM CCC[C@@H](NC(=O)c1cc(-c2nn[n-]n2)cs1)c1ccc(F)cc1F ZINC000821023090 606982390 /nfs/dbraw/zinc/98/23/90/606982390.db2.gz WAGFQZDCHJTCPF-CYBMUJFWSA-N -1 3 363.393 3.478 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NC[C@]1(C)CCCS1 ZINC000821104385 606987095 /nfs/dbraw/zinc/98/70/95/606987095.db2.gz AWAHHEMGULJOBZ-SFHVURJKSA-N -1 3 374.514 3.074 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@]1(C)CCCS1 ZINC000821104385 606987097 /nfs/dbraw/zinc/98/70/97/606987097.db2.gz AWAHHEMGULJOBZ-SFHVURJKSA-N -1 3 374.514 3.074 20 0 FGADHM Cc1ccc(C(=O)CCC(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000822225070 606989136 /nfs/dbraw/zinc/98/91/36/606989136.db2.gz MWTXHLQVYYVZDU-UHFFFAOYSA-N -1 3 368.368 3.021 20 0 FGADHM Cc1ccc(C(=O)CCC(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000822225070 606989137 /nfs/dbraw/zinc/98/91/37/606989137.db2.gz MWTXHLQVYYVZDU-UHFFFAOYSA-N -1 3 368.368 3.021 20 0 FGADHM CC(C)(Oc1ccc(F)cc1)C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820004939 606989829 /nfs/dbraw/zinc/98/98/29/606989829.db2.gz FPFAVLYDLGVVKQ-UHFFFAOYSA-N -1 3 374.347 3.046 20 0 FGADHM CC(C)(Oc1ccc(F)cc1)C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820004939 606989831 /nfs/dbraw/zinc/98/98/31/606989831.db2.gz FPFAVLYDLGVVKQ-UHFFFAOYSA-N -1 3 374.347 3.046 20 0 FGADHM C[C@@H](SCc1ccccc1)C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820548905 606995078 /nfs/dbraw/zinc/99/50/78/606995078.db2.gz HYJOXJXJNDZDPJ-GFCCVEGCSA-N -1 3 372.425 3.371 20 0 FGADHM C[C@@H](SCc1ccccc1)C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820548905 606995080 /nfs/dbraw/zinc/99/50/80/606995080.db2.gz HYJOXJXJNDZDPJ-GFCCVEGCSA-N -1 3 372.425 3.371 20 0 FGADHM CC(C)Oc1ccccc1C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820178055 606997895 /nfs/dbraw/zinc/99/78/95/606997895.db2.gz GGVYPPGOHUXLCI-UHFFFAOYSA-N -1 3 356.357 3.150 20 0 FGADHM CC(C)Oc1ccccc1C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820178055 606997896 /nfs/dbraw/zinc/99/78/96/606997896.db2.gz GGVYPPGOHUXLCI-UHFFFAOYSA-N -1 3 356.357 3.150 20 0 FGADHM CC(C)(C)Oc1cccc(CCC(=O)Nc2sccc2-c2nnn[n-]2)n1 ZINC000819949958 607006170 /nfs/dbraw/zinc/00/61/70/607006170.db2.gz DNCJXWIQWWFSKO-UHFFFAOYSA-N -1 3 372.454 3.072 20 0 FGADHM CC(C)(C)Oc1cccc(CCC(=O)Nc2sccc2-c2nn[n-]n2)n1 ZINC000819949958 607006173 /nfs/dbraw/zinc/00/61/73/607006173.db2.gz DNCJXWIQWWFSKO-UHFFFAOYSA-N -1 3 372.454 3.072 20 0 FGADHM CC(C)[C@@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)N1CCC[C@H](C)C1 ZINC000820706387 607013442 /nfs/dbraw/zinc/01/34/42/607013442.db2.gz ZKFIYEUZJWQFHC-XJKSGUPXSA-N -1 3 359.499 3.242 20 0 FGADHM CC(C)[C@@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)N1CCC[C@H](C)C1 ZINC000820706387 607013444 /nfs/dbraw/zinc/01/34/44/607013444.db2.gz ZKFIYEUZJWQFHC-XJKSGUPXSA-N -1 3 359.499 3.242 20 0 FGADHM Cc1ccc(CSCC(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000822239805 607017374 /nfs/dbraw/zinc/01/73/74/607017374.db2.gz FGHTTWUZRKIUEK-UHFFFAOYSA-N -1 3 367.478 3.033 20 0 FGADHM Cc1ccc(CSCC(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000822239805 607017376 /nfs/dbraw/zinc/01/73/76/607017376.db2.gz FGHTTWUZRKIUEK-UHFFFAOYSA-N -1 3 367.478 3.033 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cnc(-c2ccccc2)nc1C ZINC000822220538 607017430 /nfs/dbraw/zinc/01/74/30/607017430.db2.gz VTNZVDPFAQEGMM-UHFFFAOYSA-N -1 3 371.404 3.193 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cnc(-c2ccccc2)nc1C ZINC000822220538 607017432 /nfs/dbraw/zinc/01/74/32/607017432.db2.gz VTNZVDPFAQEGMM-UHFFFAOYSA-N -1 3 371.404 3.193 20 0 FGADHM CC(C)c1cnc(COc2ccc(Br)cc2-c2nnn[n-]2)o1 ZINC000820196710 607031097 /nfs/dbraw/zinc/03/10/97/607031097.db2.gz AHOJKGTXNRTTHM-UHFFFAOYSA-N -1 3 364.203 3.320 20 0 FGADHM CC(C)c1cnc(COc2ccc(Br)cc2-c2nn[n-]n2)o1 ZINC000820196710 607031099 /nfs/dbraw/zinc/03/10/99/607031099.db2.gz AHOJKGTXNRTTHM-UHFFFAOYSA-N -1 3 364.203 3.320 20 0 FGADHM Fc1ccc(-c2nnn[n-]2)c(CSCc2cn(-c3ccccc3)nn2)c1 ZINC000822758391 607035663 /nfs/dbraw/zinc/03/56/63/607035663.db2.gz NONSOAQRHGGUJQ-UHFFFAOYSA-N -1 3 367.413 3.020 20 0 FGADHM Fc1ccc(-c2nn[n-]n2)c(CSCc2cn(-c3ccccc3)nn2)c1 ZINC000822758391 607035665 /nfs/dbraw/zinc/03/56/65/607035665.db2.gz NONSOAQRHGGUJQ-UHFFFAOYSA-N -1 3 367.413 3.020 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)C=Cc1cnc(C)s1 ZINC000821118852 607040939 /nfs/dbraw/zinc/04/09/39/607040939.db2.gz SHNJLWVZMWZLFS-FNORWQNLSA-N -1 3 369.454 3.105 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)C[C@@H](C)c1ccncc1 ZINC000821119072 607041078 /nfs/dbraw/zinc/04/10/78/607041078.db2.gz ULCODEFHKDOFQX-CYBMUJFWSA-N -1 3 365.441 3.216 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)C=Cc1cnc(C)s1 ZINC000821118847 607041092 /nfs/dbraw/zinc/04/10/92/607041092.db2.gz SHNJLWVZMWZLFS-ALCCZGGFSA-N -1 3 369.454 3.105 20 0 FGADHM CCC[C@H]1CCCN(C(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000821039605 607062338 /nfs/dbraw/zinc/06/23/38/607062338.db2.gz FJWQPGUGSSLJRB-AWEZNQCLSA-N -1 3 357.458 3.063 20 0 FGADHM CCC[C@H]1CCCN(C(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821039605 607062339 /nfs/dbraw/zinc/06/23/39/607062339.db2.gz FJWQPGUGSSLJRB-AWEZNQCLSA-N -1 3 357.458 3.063 20 0 FGADHM C[C@@H](NC(=O)N(C1CC1)C1CCCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820342429 607064509 /nfs/dbraw/zinc/06/45/09/607064509.db2.gz UJGKNVXDJLJEBV-CYBMUJFWSA-N -1 3 354.458 3.434 20 0 FGADHM C[C@@H](NC(=O)N(C1CC1)C1CCCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820342429 607064511 /nfs/dbraw/zinc/06/45/11/607064511.db2.gz UJGKNVXDJLJEBV-CYBMUJFWSA-N -1 3 354.458 3.434 20 0 FGADHM COc1cccc2cc(C(=O)OCc3cc(F)ccc3-c3nnn[n-]3)oc21 ZINC000821877232 607077335 /nfs/dbraw/zinc/07/73/35/607077335.db2.gz DYKKYPLBPKOMCT-UHFFFAOYSA-N -1 3 368.324 3.118 20 0 FGADHM COc1cccc2cc(C(=O)OCc3cc(F)ccc3-c3nn[n-]n3)oc21 ZINC000821877232 607077337 /nfs/dbraw/zinc/07/73/37/607077337.db2.gz DYKKYPLBPKOMCT-UHFFFAOYSA-N -1 3 368.324 3.118 20 0 FGADHM C[C@H](Cc1ccc(F)cc1)C(=O)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000820295116 607080465 /nfs/dbraw/zinc/08/04/65/607080465.db2.gz YMBMOVXOTMBFAQ-LLVKDONJSA-N -1 3 358.348 3.067 20 0 FGADHM C[C@H](Cc1ccc(F)cc1)C(=O)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000820295116 607080467 /nfs/dbraw/zinc/08/04/67/607080467.db2.gz YMBMOVXOTMBFAQ-LLVKDONJSA-N -1 3 358.348 3.067 20 0 FGADHM Cc1ccc(COC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822238339 607081394 /nfs/dbraw/zinc/08/13/94/607081394.db2.gz CWOOHTDIBCNBEN-UHFFFAOYSA-N -1 3 352.394 3.076 20 0 FGADHM Cc1ccc(COC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822238339 607081396 /nfs/dbraw/zinc/08/13/96/607081396.db2.gz CWOOHTDIBCNBEN-UHFFFAOYSA-N -1 3 352.394 3.076 20 0 FGADHM CC(=CC(=O)OCc1cc(F)ccc1-c1nnn[n-]1)c1cccc(F)c1 ZINC000819766350 607082342 /nfs/dbraw/zinc/08/23/42/607082342.db2.gz XGDHQEYKZSSWMN-XFFZJAGNSA-N -1 3 356.332 3.292 20 0 FGADHM CC(=CC(=O)OCc1cc(F)ccc1-c1nn[n-]n1)c1cccc(F)c1 ZINC000819766350 607082344 /nfs/dbraw/zinc/08/23/44/607082344.db2.gz XGDHQEYKZSSWMN-XFFZJAGNSA-N -1 3 356.332 3.292 20 0 FGADHM Cc1c(C(=O)OCc2cc(F)ccc2-c2nnn[n-]2)cnc2ccccc12 ZINC000822020554 607085814 /nfs/dbraw/zinc/08/58/14/607085814.db2.gz DPQZQRUZDUTGIP-UHFFFAOYSA-N -1 3 363.352 3.219 20 0 FGADHM Cc1c(C(=O)OCc2cc(F)ccc2-c2nn[n-]n2)cnc2ccccc12 ZINC000822020554 607085816 /nfs/dbraw/zinc/08/58/16/607085816.db2.gz DPQZQRUZDUTGIP-UHFFFAOYSA-N -1 3 363.352 3.219 20 0 FGADHM CC[C@@H](Cc1ccccc1)N(CC)C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820914294 607087583 /nfs/dbraw/zinc/08/75/83/607087583.db2.gz NSOSVSYZTBGXKO-IBGZPJMESA-N -1 3 363.465 3.279 20 0 FGADHM CC[C@@H](Cc1ccccc1)N(CC)C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820914294 607087584 /nfs/dbraw/zinc/08/75/84/607087584.db2.gz NSOSVSYZTBGXKO-IBGZPJMESA-N -1 3 363.465 3.279 20 0 FGADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(OC(F)F)cc1 ZINC000821304793 607102570 /nfs/dbraw/zinc/10/25/70/607102570.db2.gz RHYQABZFXIWSRJ-UHFFFAOYSA-N -1 3 374.351 3.152 20 0 FGADHM C[C@H](c1ccccc1)n1ccc(NC(=O)Nc2cccc(-c3nnn[n-]3)c2)n1 ZINC000820570373 607115465 /nfs/dbraw/zinc/11/54/65/607115465.db2.gz INYCDTDJXHVGFG-CYBMUJFWSA-N -1 3 374.408 3.317 20 0 FGADHM C[C@H](c1ccccc1)n1ccc(NC(=O)Nc2cccc(-c3nn[n-]n3)c2)n1 ZINC000820570373 607115467 /nfs/dbraw/zinc/11/54/67/607115467.db2.gz INYCDTDJXHVGFG-CYBMUJFWSA-N -1 3 374.408 3.317 20 0 FGADHM C[C@@H]1CN(c2c(F)cc(-c3nnn[n-]3)cc2F)C[C@H](c2ccsc2)O1 ZINC000820769148 607115775 /nfs/dbraw/zinc/11/57/75/607115775.db2.gz RRRMGVADFYUUQI-YMTOWFKASA-N -1 3 363.393 3.173 20 0 FGADHM C[C@@H]1CN(c2c(F)cc(-c3nn[n-]n3)cc2F)C[C@H](c2ccsc2)O1 ZINC000820769148 607115776 /nfs/dbraw/zinc/11/57/76/607115776.db2.gz RRRMGVADFYUUQI-YMTOWFKASA-N -1 3 363.393 3.173 20 0 FGADHM S=C(Nc1ccccc1-c1nnn[n-]1)N[C@@H]1CCOC2(CCCCC2)C1 ZINC000823738171 607121770 /nfs/dbraw/zinc/12/17/70/607121770.db2.gz OVHLUGNYNHLDFT-CYBMUJFWSA-N -1 3 372.498 3.035 20 0 FGADHM S=C(Nc1ccccc1-c1nn[n-]n1)N[C@@H]1CCOC2(CCCCC2)C1 ZINC000823738171 607121773 /nfs/dbraw/zinc/12/17/73/607121773.db2.gz OVHLUGNYNHLDFT-CYBMUJFWSA-N -1 3 372.498 3.035 20 0 FGADHM C[C@H]1CN(Cc2ccc(-c3nnn[n-]3)cc2F)C[C@H](c2ccsc2)O1 ZINC000820759354 607122631 /nfs/dbraw/zinc/12/26/31/607122631.db2.gz JSSDIOYQUIYFFS-MEDUHNTESA-N -1 3 359.430 3.029 20 0 FGADHM C[C@H]1CN(Cc2ccc(-c3nn[n-]n3)cc2F)C[C@H](c2ccsc2)O1 ZINC000820759354 607122632 /nfs/dbraw/zinc/12/26/32/607122632.db2.gz JSSDIOYQUIYFFS-MEDUHNTESA-N -1 3 359.430 3.029 20 0 FGADHM Clc1cc(-c2nn[n-]n2)ccc1NCc1ccc(-n2cccn2)cc1 ZINC000822563432 607124287 /nfs/dbraw/zinc/12/42/87/607124287.db2.gz ITFAFWQUWQXRDJ-UHFFFAOYSA-N -1 3 351.801 3.318 20 0 FGADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N[C@H]1CCOC2(CCCC2)C1 ZINC000822337323 607129992 /nfs/dbraw/zinc/12/99/92/607129992.db2.gz XEZGNMYLIUNCKX-AWEZNQCLSA-N -1 3 364.453 3.049 20 0 FGADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N[C@H]1CCOC2(CCCC2)C1 ZINC000822337323 607129993 /nfs/dbraw/zinc/12/99/93/607129993.db2.gz XEZGNMYLIUNCKX-AWEZNQCLSA-N -1 3 364.453 3.049 20 0 FGADHM C[C@@H](Oc1ccc(-c2nnn[n-]2)cc1F)c1nc(Cc2ccccc2)no1 ZINC000820534245 607134335 /nfs/dbraw/zinc/13/43/35/607134335.db2.gz KNIXTMAQWBSLDT-LLVKDONJSA-N -1 3 366.356 3.120 20 0 FGADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1F)c1nc(Cc2ccccc2)no1 ZINC000820534245 607134337 /nfs/dbraw/zinc/13/43/37/607134337.db2.gz KNIXTMAQWBSLDT-LLVKDONJSA-N -1 3 366.356 3.120 20 0 FGADHM O=C(Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1)NC1CC=CC1 ZINC000823356023 607137412 /nfs/dbraw/zinc/13/74/12/607137412.db2.gz IMEMNFVRFFDBAF-UHFFFAOYSA-N -1 3 362.393 3.499 20 0 FGADHM O=C(Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1)NC1CC=CC1 ZINC000823356023 607137415 /nfs/dbraw/zinc/13/74/15/607137415.db2.gz IMEMNFVRFFDBAF-UHFFFAOYSA-N -1 3 362.393 3.499 20 0 FGADHM CC(C)n1cc2ccc(NC(=O)c3cc(-c4nnn[n-]4)cs3)cc2n1 ZINC000820214570 607156147 /nfs/dbraw/zinc/15/61/47/607156147.db2.gz JHUKBMDNKSCFFF-UHFFFAOYSA-N -1 3 353.411 3.111 20 0 FGADHM CC(C)n1cc2ccc(NC(=O)c3cc(-c4nn[n-]n4)cs3)cc2n1 ZINC000820214570 607156149 /nfs/dbraw/zinc/15/61/49/607156149.db2.gz JHUKBMDNKSCFFF-UHFFFAOYSA-N -1 3 353.411 3.111 20 0 FGADHM CC(C)CC[C@@H]1CCCN1C(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000820072274 607163690 /nfs/dbraw/zinc/16/36/90/607163690.db2.gz DGGZTTCHKKAIDR-CABCVRRESA-N -1 3 357.458 3.061 20 0 FGADHM CC(C)CC[C@@H]1CCCN1C(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000820072274 607163691 /nfs/dbraw/zinc/16/36/91/607163691.db2.gz DGGZTTCHKKAIDR-CABCVRRESA-N -1 3 357.458 3.061 20 0 FGADHM CC(C)CC[C@@H]1CCCN1C(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000820073780 607163890 /nfs/dbraw/zinc/16/38/90/607163890.db2.gz VPOBVOFCNXWLNX-HOCLYGCPSA-N -1 3 357.458 3.061 20 0 FGADHM Clc1ccc(NCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)cc1 ZINC000822579105 607164935 /nfs/dbraw/zinc/16/49/35/607164935.db2.gz VWCNAQZGBFAYOS-UHFFFAOYSA-N -1 3 353.773 3.182 20 0 FGADHM Clc1ccc(NCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)cc1 ZINC000822579105 607164937 /nfs/dbraw/zinc/16/49/37/607164937.db2.gz VWCNAQZGBFAYOS-UHFFFAOYSA-N -1 3 353.773 3.182 20 0 FGADHM CCCCC[C@@H]1CCCN1C(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000821050749 607164967 /nfs/dbraw/zinc/16/49/67/607164967.db2.gz TZVHUEFXBHEBDE-LSDHHAIUSA-N -1 3 357.458 3.205 20 0 FGADHM CCCCC[C@@H]1CCCN1C(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000821050749 607164969 /nfs/dbraw/zinc/16/49/69/607164969.db2.gz TZVHUEFXBHEBDE-LSDHHAIUSA-N -1 3 357.458 3.205 20 0 FGADHM Cc1ccc(OCC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)c(C)c1 ZINC000822262727 607189058 /nfs/dbraw/zinc/18/90/58/607189058.db2.gz DOBSIVSXJWSEGC-UHFFFAOYSA-N -1 3 357.801 3.154 20 0 FGADHM Cc1ccc(OCC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)c(C)c1 ZINC000822262727 607189059 /nfs/dbraw/zinc/18/90/59/607189059.db2.gz DOBSIVSXJWSEGC-UHFFFAOYSA-N -1 3 357.801 3.154 20 0 FGADHM COc1ccc(C)cc1CNC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821782968 607195925 /nfs/dbraw/zinc/19/59/25/607195925.db2.gz UNHUFFTXBFBIAB-UHFFFAOYSA-N -1 3 372.816 3.159 20 0 FGADHM COc1ccc(C)cc1CNC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821782968 607195926 /nfs/dbraw/zinc/19/59/26/607195926.db2.gz UNHUFFTXBFBIAB-UHFFFAOYSA-N -1 3 372.816 3.159 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N[C@@H]1CCc2cc(F)ccc21 ZINC000823318329 607196077 /nfs/dbraw/zinc/19/60/77/607196077.db2.gz BZVNPGLMJGNVMT-CQSZACIVSA-N -1 3 372.791 3.468 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N[C@@H]1CCc2cc(F)ccc21 ZINC000823318329 607196078 /nfs/dbraw/zinc/19/60/78/607196078.db2.gz BZVNPGLMJGNVMT-CQSZACIVSA-N -1 3 372.791 3.468 20 0 FGADHM C[C@@H](COc1ccccc1)NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820294022 607196524 /nfs/dbraw/zinc/19/65/24/607196524.db2.gz QIDIUUHWKNWHSD-NSHDSACASA-N -1 3 372.816 3.109 20 0 FGADHM C[C@@H](COc1ccccc1)NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820294022 607196525 /nfs/dbraw/zinc/19/65/25/607196525.db2.gz QIDIUUHWKNWHSD-NSHDSACASA-N -1 3 372.816 3.109 20 0 FGADHM C[C@@H](Cc1ccsc1)NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820307901 607201559 /nfs/dbraw/zinc/20/15/59/607201559.db2.gz QWJNWWKYMLZCLL-VIFPVBQESA-N -1 3 362.846 3.334 20 0 FGADHM C[C@@H](Cc1ccsc1)NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820307901 607201560 /nfs/dbraw/zinc/20/15/60/607201560.db2.gz QWJNWWKYMLZCLL-VIFPVBQESA-N -1 3 362.846 3.334 20 0 FGADHM O=C(c1cc(-c2nnn[n-]2)cs1)N1CCCCC[C@@H]1[C@@H]1CCCCC1=O ZINC000823525414 607222523 /nfs/dbraw/zinc/22/25/23/607222523.db2.gz MXISTRXTEKNKAJ-UONOGXRCSA-N -1 3 373.482 3.072 20 0 FGADHM O=C(c1cc(-c2nn[n-]n2)cs1)N1CCCCC[C@@H]1[C@@H]1CCCCC1=O ZINC000823525414 607222524 /nfs/dbraw/zinc/22/25/24/607222524.db2.gz MXISTRXTEKNKAJ-UONOGXRCSA-N -1 3 373.482 3.072 20 0 FGADHM C[C@@H](CSc1ccccc1)C(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000820293181 607249138 /nfs/dbraw/zinc/24/91/38/607249138.db2.gz IIMNIKDBVMTVRK-NSHDSACASA-N -1 3 358.398 3.340 20 0 FGADHM C[C@@H](CSc1ccccc1)C(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000820293181 607249139 /nfs/dbraw/zinc/24/91/39/607249139.db2.gz IIMNIKDBVMTVRK-NSHDSACASA-N -1 3 358.398 3.340 20 0 FGADHM COc1cccc(C(C)=CC(=O)Oc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000821860028 607250258 /nfs/dbraw/zinc/25/02/58/607250258.db2.gz WKJKZBOCOSARQM-FLIBITNWSA-N -1 3 354.341 3.023 20 0 FGADHM COc1cccc(C(C)=CC(=O)Oc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000821860028 607250259 /nfs/dbraw/zinc/25/02/59/607250259.db2.gz WKJKZBOCOSARQM-FLIBITNWSA-N -1 3 354.341 3.023 20 0 FGADHM CC[C@H](CC(=O)Oc1ccc(-c2nnn[n-]2)cc1)c1ccc(OC)cc1 ZINC000825082943 607776563 /nfs/dbraw/zinc/77/65/63/607776563.db2.gz WDFGRASYWFGZLD-CYBMUJFWSA-N -1 3 352.394 3.365 20 0 FGADHM CC[C@H](CC(=O)Oc1ccc(-c2nn[n-]n2)cc1)c1ccc(OC)cc1 ZINC000825082943 607776564 /nfs/dbraw/zinc/77/65/64/607776564.db2.gz WDFGRASYWFGZLD-CYBMUJFWSA-N -1 3 352.394 3.365 20 0 FGADHM CCSc1ccc(CC(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000825674014 607785331 /nfs/dbraw/zinc/78/53/31/607785331.db2.gz DVNZKKYFKVUZMZ-UHFFFAOYSA-N -1 3 371.441 3.323 20 0 FGADHM CCSc1ccc(CC(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000825674014 607785332 /nfs/dbraw/zinc/78/53/32/607785332.db2.gz DVNZKKYFKVUZMZ-UHFFFAOYSA-N -1 3 371.441 3.323 20 0 FGADHM Cc1cc(O[C@H](C)C(=O)N(C)c2ccccc2-c2nnn[n-]2)ccc1Cl ZINC000826271840 607787525 /nfs/dbraw/zinc/78/75/25/607787525.db2.gz JWZYGGRVAPIFFF-GFCCVEGCSA-N -1 3 371.828 3.259 20 0 FGADHM Cc1cc(O[C@H](C)C(=O)N(C)c2ccccc2-c2nn[n-]n2)ccc1Cl ZINC000826271840 607787526 /nfs/dbraw/zinc/78/75/26/607787526.db2.gz JWZYGGRVAPIFFF-GFCCVEGCSA-N -1 3 371.828 3.259 20 0 FGADHM COc1ccccc1C[C@H](C)CC(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC000826219749 607788472 /nfs/dbraw/zinc/78/84/72/607788472.db2.gz PIIIJIMDVJHVLX-AWEZNQCLSA-N -1 3 365.437 3.107 20 0 FGADHM COc1ccccc1C[C@H](C)CC(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC000826219749 607788473 /nfs/dbraw/zinc/78/84/73/607788473.db2.gz PIIIJIMDVJHVLX-AWEZNQCLSA-N -1 3 365.437 3.107 20 0 FGADHM CN(C(=O)c1cccc(OC2CCCC2)c1)c1ccccc1-c1nnn[n-]1 ZINC000825829345 607788526 /nfs/dbraw/zinc/78/85/26/607788526.db2.gz CGKKLXGGTQQJCV-UHFFFAOYSA-N -1 3 363.421 3.465 20 0 FGADHM CN(C(=O)c1cccc(OC2CCCC2)c1)c1ccccc1-c1nn[n-]n1 ZINC000825829345 607788527 /nfs/dbraw/zinc/78/85/27/607788527.db2.gz CGKKLXGGTQQJCV-UHFFFAOYSA-N -1 3 363.421 3.465 20 0 FGADHM C[C@@H](CSCc1ccccc1)C(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC000824450688 607788774 /nfs/dbraw/zinc/78/87/74/607788774.db2.gz YAVOYNDKJUEEFH-AWEZNQCLSA-N -1 3 367.478 3.399 20 0 FGADHM C[C@@H](CSCc1ccccc1)C(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC000824450688 607788775 /nfs/dbraw/zinc/78/87/75/607788775.db2.gz YAVOYNDKJUEEFH-AWEZNQCLSA-N -1 3 367.478 3.399 20 0 FGADHM CC1(c2ccccc2)CCN(C(=O)c2cc(-c3nnn[n-]3)cs2)CC1 ZINC000824843882 607795413 /nfs/dbraw/zinc/79/54/13/607795413.db2.gz LNDKHBPKHVMNHU-UHFFFAOYSA-N -1 3 353.451 3.122 20 0 FGADHM CC1(c2ccccc2)CCN(C(=O)c2cc(-c3nn[n-]n3)cs2)CC1 ZINC000824843882 607795414 /nfs/dbraw/zinc/79/54/14/607795414.db2.gz LNDKHBPKHVMNHU-UHFFFAOYSA-N -1 3 353.451 3.122 20 0 FGADHM CCN(C(=O)C=C(C)c1cccc(OC)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367247 607796204 /nfs/dbraw/zinc/79/62/04/607796204.db2.gz LWGSSVAFGXITQH-OWBHPGMISA-N -1 3 363.421 3.332 20 0 FGADHM CCN(C(=O)C=C(C)c1cccc(OC)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367247 607796205 /nfs/dbraw/zinc/79/62/05/607796205.db2.gz LWGSSVAFGXITQH-OWBHPGMISA-N -1 3 363.421 3.332 20 0 FGADHM CCN(C(=O)CCc1ccc(F)cc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000825372246 607800582 /nfs/dbraw/zinc/80/05/82/607800582.db2.gz TYURIAQURYUAQD-UHFFFAOYSA-N -1 3 357.364 3.131 20 0 FGADHM CCN(C(=O)CCc1ccc(F)cc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000825372246 607800583 /nfs/dbraw/zinc/80/05/83/607800583.db2.gz TYURIAQURYUAQD-UHFFFAOYSA-N -1 3 357.364 3.131 20 0 FGADHM Clc1cc(-c2nnn[n-]2)cnc1N[C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000826351001 607811127 /nfs/dbraw/zinc/81/11/27/607811127.db2.gz TZAJEKNVDUVQHA-MLGOLLRUSA-N -1 3 370.844 3.495 20 0 FGADHM Clc1cc(-c2nn[n-]n2)cnc1N[C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000826351001 607811128 /nfs/dbraw/zinc/81/11/28/607811128.db2.gz TZAJEKNVDUVQHA-MLGOLLRUSA-N -1 3 370.844 3.495 20 0 FGADHM C[C@H](NC(=O)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl)c1cccnc1 ZINC000824507799 607833242 /nfs/dbraw/zinc/83/32/42/607833242.db2.gz YMNBMCGCXPFDPK-QMMMGPOBSA-N -1 3 363.208 3.060 20 0 FGADHM C[C@H](NC(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl)c1cccnc1 ZINC000824507799 607833243 /nfs/dbraw/zinc/83/32/43/607833243.db2.gz YMNBMCGCXPFDPK-QMMMGPOBSA-N -1 3 363.208 3.060 20 0 FGADHM O[C@H](COc1cc(Cl)ccc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000826503934 607870271 /nfs/dbraw/zinc/87/02/71/607870271.db2.gz JXOISPBIJJVQBX-CYBMUJFWSA-N -1 3 351.193 3.286 20 0 FGADHM O[C@H](COc1cc(Cl)ccc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000826503934 607870272 /nfs/dbraw/zinc/87/02/72/607870272.db2.gz JXOISPBIJJVQBX-CYBMUJFWSA-N -1 3 351.193 3.286 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC[C@@H](O)c1ccccc1 ZINC000825608991 607872485 /nfs/dbraw/zinc/87/24/85/607872485.db2.gz GSPBNJYPABLAIN-CQSZACIVSA-N -1 3 360.801 3.031 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC[C@@H](O)c1ccccc1 ZINC000825608991 607872486 /nfs/dbraw/zinc/87/24/86/607872486.db2.gz GSPBNJYPABLAIN-CQSZACIVSA-N -1 3 360.801 3.031 20 0 FGADHM O[C@H](COc1ccc(-c2nnn[n-]2)c(F)c1)c1ccc(C(F)(F)F)cc1 ZINC000826504051 607873682 /nfs/dbraw/zinc/87/36/82/607873682.db2.gz MAKIBXHATLTKJP-CQSZACIVSA-N -1 3 368.290 3.137 20 0 FGADHM O[C@H](COc1ccc(-c2nn[n-]n2)c(F)c1)c1ccc(C(F)(F)F)cc1 ZINC000826504051 607873683 /nfs/dbraw/zinc/87/36/83/607873683.db2.gz MAKIBXHATLTKJP-CQSZACIVSA-N -1 3 368.290 3.137 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1OC[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000826254893 607875593 /nfs/dbraw/zinc/87/55/93/607875593.db2.gz DWXQJRDHEYSYDG-CQSZACIVSA-N -1 3 364.327 3.306 20 0 FGADHM O[C@@H](COc1ccc(-c2cscn2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826504190 607877717 /nfs/dbraw/zinc/87/77/17/607877717.db2.gz PKQMBOFJESOZLR-KRWDZBQOSA-N -1 3 365.418 3.103 20 0 FGADHM O[C@@H](COc1ccc(-c2cscn2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826504190 607877718 /nfs/dbraw/zinc/87/77/18/607877718.db2.gz PKQMBOFJESOZLR-KRWDZBQOSA-N -1 3 365.418 3.103 20 0 FGADHM COCC(C)(C)C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826147703 607887683 /nfs/dbraw/zinc/88/76/83/607887683.db2.gz INKCEUGVQRYLCT-UHFFFAOYSA-N -1 3 367.409 3.270 20 0 FGADHM COCC(C)(C)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826147703 607887684 /nfs/dbraw/zinc/88/76/84/607887684.db2.gz INKCEUGVQRYLCT-UHFFFAOYSA-N -1 3 367.409 3.270 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000826185852 607889710 /nfs/dbraw/zinc/88/97/10/607889710.db2.gz WBXXCBITTGKVFG-UMVBOHGHSA-N -1 3 355.442 3.420 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000826185852 607889711 /nfs/dbraw/zinc/88/97/11/607889711.db2.gz WBXXCBITTGKVFG-UMVBOHGHSA-N -1 3 355.442 3.420 20 0 FGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000826441842 607895094 /nfs/dbraw/zinc/89/50/94/607895094.db2.gz XWWRTSSOKHVENZ-KCQAQPDRSA-N -1 3 357.433 3.229 20 0 FGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000826441842 607895095 /nfs/dbraw/zinc/89/50/95/607895095.db2.gz XWWRTSSOKHVENZ-KCQAQPDRSA-N -1 3 357.433 3.229 20 0 FGADHM Fc1ccccc1Nc1nnc(Sc2cccc(-c3nnn[n-]3)n2)s1 ZINC000826378620 607895223 /nfs/dbraw/zinc/89/52/23/607895223.db2.gz SNQQZRJKOIVIMF-UHFFFAOYSA-N -1 3 372.414 3.147 20 0 FGADHM CC(=O)c1ccc2c(c1)CCN(c1c(Cl)cccc1-c1nnn[n-]1)CC2 ZINC000824029515 607903712 /nfs/dbraw/zinc/90/37/12/607903712.db2.gz LXJWLYRPPYTQOG-UHFFFAOYSA-N -1 3 367.840 3.328 20 0 FGADHM CC(=O)c1ccc2c(c1)CCN(c1c(Cl)cccc1-c1nn[n-]n1)CC2 ZINC000824029515 607903713 /nfs/dbraw/zinc/90/37/13/607903713.db2.gz LXJWLYRPPYTQOG-UHFFFAOYSA-N -1 3 367.840 3.328 20 0 FGADHM c1cc(NCc2ccc(-c3nn[n-]n3)cc2)cc(-c2n[nH]c(C3CC3)n2)c1 ZINC000826517374 607910769 /nfs/dbraw/zinc/91/07/69/607910769.db2.gz ZWJQIEBIXAQDNM-UHFFFAOYSA-N -1 3 358.409 3.141 20 0 FGADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H](C)C1CCC1 ZINC000824255157 607911916 /nfs/dbraw/zinc/91/19/16/607911916.db2.gz ATIIWRUKUKWXGL-AWEZNQCLSA-N -1 3 356.474 3.223 20 0 FGADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H](C)C1CCC1 ZINC000824255157 607911917 /nfs/dbraw/zinc/91/19/17/607911917.db2.gz ATIIWRUKUKWXGL-AWEZNQCLSA-N -1 3 356.474 3.223 20 0 FGADHM CCc1ccc(NC(=S)N2CCc3ccc(-c4nnn[n-]4)cc32)cc1 ZINC000825717801 607930309 /nfs/dbraw/zinc/93/03/09/607930309.db2.gz QDJUKQPFCNOORS-UHFFFAOYSA-N -1 3 350.451 3.189 20 0 FGADHM CCc1ccc(NC(=S)N2CCc3ccc(-c4nn[n-]n4)cc32)cc1 ZINC000825717801 607930310 /nfs/dbraw/zinc/93/03/10/607930310.db2.gz QDJUKQPFCNOORS-UHFFFAOYSA-N -1 3 350.451 3.189 20 0 FGADHM Cc1ccc([C@H]2C[C@@H](OC(=O)c3cccc(-c4nnn[n-]4)c3)CCO2)cc1 ZINC000826285109 607948803 /nfs/dbraw/zinc/94/88/03/607948803.db2.gz PPTWTLQFEXFMRU-ZWKOTPCHSA-N -1 3 364.405 3.252 20 0 FGADHM Cc1ccc([C@H]2C[C@@H](OC(=O)c3cccc(-c4nn[n-]n4)c3)CCO2)cc1 ZINC000826285109 607948804 /nfs/dbraw/zinc/94/88/04/607948804.db2.gz PPTWTLQFEXFMRU-ZWKOTPCHSA-N -1 3 364.405 3.252 20 0 FGADHM CCn1cc(C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)c2ccccc21 ZINC000825799714 607954092 /nfs/dbraw/zinc/95/40/92/607954092.db2.gz RUQNLJYGOUCGDF-UHFFFAOYSA-N -1 3 358.405 3.044 20 0 FGADHM CCn1cc(C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)c2ccccc21 ZINC000825799714 607954093 /nfs/dbraw/zinc/95/40/93/607954093.db2.gz RUQNLJYGOUCGDF-UHFFFAOYSA-N -1 3 358.405 3.044 20 0 FGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCC12CCC(CC1)C2 ZINC000824293527 607959264 /nfs/dbraw/zinc/95/92/64/607959264.db2.gz QCRDVUWHWDIBDQ-UHFFFAOYSA-N -1 3 368.485 3.367 20 0 FGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCC12CCC(CC1)C2 ZINC000824293527 607959265 /nfs/dbraw/zinc/95/92/65/607959265.db2.gz QCRDVUWHWDIBDQ-UHFFFAOYSA-N -1 3 368.485 3.367 20 0 FGADHM CCCn1c2ccc(-c3nnn[n-]3)cc2nc1-c1ccc(OC)c(F)c1 ZINC000825353242 607974842 /nfs/dbraw/zinc/97/48/42/607974842.db2.gz TYCXEXUASDDXIY-UHFFFAOYSA-N -1 3 352.373 3.441 20 0 FGADHM CCCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1ccc(OC)c(F)c1 ZINC000825353242 607974843 /nfs/dbraw/zinc/97/48/43/607974843.db2.gz TYCXEXUASDDXIY-UHFFFAOYSA-N -1 3 352.373 3.441 20 0 FGADHM CCCn1c2ccc(-c3nnn[n-]3)cc2nc1-c1cccc(-n2cccn2)c1 ZINC000825352656 607974890 /nfs/dbraw/zinc/97/48/90/607974890.db2.gz OTULPSBSSDZDRN-UHFFFAOYSA-N -1 3 370.420 3.479 20 0 FGADHM CCCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1cccc(-n2cccn2)c1 ZINC000825352656 607974891 /nfs/dbraw/zinc/97/48/91/607974891.db2.gz OTULPSBSSDZDRN-UHFFFAOYSA-N -1 3 370.420 3.479 20 0 FGADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1-c1cnc(-c2ccccc2)nc1 ZINC000825782952 607975397 /nfs/dbraw/zinc/97/53/97/607975397.db2.gz WQYHBWJBYHCCDH-UHFFFAOYSA-N -1 3 368.404 3.360 20 0 FGADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1cnc(-c2ccccc2)nc1 ZINC000825782952 607975398 /nfs/dbraw/zinc/97/53/98/607975398.db2.gz WQYHBWJBYHCCDH-UHFFFAOYSA-N -1 3 368.404 3.360 20 0 FGADHM Cc1cc(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)ncn1 ZINC000826260413 607979983 /nfs/dbraw/zinc/97/99/83/607979983.db2.gz MZYBBCOPARYXSD-UHFFFAOYSA-N -1 3 373.376 3.010 20 0 FGADHM COc1ccc(C[C@H](C)C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826192020 607990115 /nfs/dbraw/zinc/99/01/15/607990115.db2.gz XGNLSHIDAIGJSZ-KBPBESRZSA-N -1 3 366.421 3.358 20 0 FGADHM COc1ccc(C[C@H](C)C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826192020 607990116 /nfs/dbraw/zinc/99/01/16/607990116.db2.gz XGNLSHIDAIGJSZ-KBPBESRZSA-N -1 3 366.421 3.358 20 0 FGADHM COC1CCC(CC(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)CC1 ZINC000826144708 607995457 /nfs/dbraw/zinc/99/54/57/607995457.db2.gz PYBIDIJLWUOFDK-UHFFFAOYSA-N -1 3 373.457 3.188 20 0 FGADHM COC1CCC(CC(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)CC1 ZINC000826144708 607995458 /nfs/dbraw/zinc/99/54/58/607995458.db2.gz PYBIDIJLWUOFDK-UHFFFAOYSA-N -1 3 373.457 3.188 20 0 FGADHM COc1cc(C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)ccc1Cl ZINC000826177686 608004251 /nfs/dbraw/zinc/00/42/51/608004251.db2.gz QWAYPIMJIVXBPV-UHFFFAOYSA-N -1 3 374.832 3.338 20 0 FGADHM COc1cc(C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)ccc1Cl ZINC000826177686 608004252 /nfs/dbraw/zinc/00/42/52/608004252.db2.gz QWAYPIMJIVXBPV-UHFFFAOYSA-N -1 3 374.832 3.338 20 0 FGADHM COc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)ccc1Cl ZINC000826177879 608006545 /nfs/dbraw/zinc/00/65/45/608006545.db2.gz ZJFNXHSFZLODNR-UHFFFAOYSA-N -1 3 364.192 3.434 20 0 FGADHM COc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)ccc1Cl ZINC000826177879 608006546 /nfs/dbraw/zinc/00/65/46/608006546.db2.gz ZJFNXHSFZLODNR-UHFFFAOYSA-N -1 3 364.192 3.434 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N[C@H](c1cccnc1)C1CC1 ZINC000826453062 608008358 /nfs/dbraw/zinc/00/83/58/608008358.db2.gz UEJSJYKXHRBGRZ-HNNXBMFYSA-N -1 3 369.816 3.188 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N[C@H](c1cccnc1)C1CC1 ZINC000826453062 608008359 /nfs/dbraw/zinc/00/83/59/608008359.db2.gz UEJSJYKXHRBGRZ-HNNXBMFYSA-N -1 3 369.816 3.188 20 0 FGADHM C[C@@H](OC(=O)Cc1cccc2cccnc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000824712729 608011879 /nfs/dbraw/zinc/01/18/79/608011879.db2.gz CCBLCGPZBFNWKS-CYBMUJFWSA-N -1 3 359.389 3.262 20 0 FGADHM C[C@@H](OC(=O)Cc1cccc2cccnc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000824712729 608011880 /nfs/dbraw/zinc/01/18/80/608011880.db2.gz CCBLCGPZBFNWKS-CYBMUJFWSA-N -1 3 359.389 3.262 20 0 FGADHM Cc1nc(Cl)ccc1CC(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826326853 608015306 /nfs/dbraw/zinc/01/53/06/608015306.db2.gz HKRSLHJSPYANFO-NSHDSACASA-N -1 3 357.801 3.070 20 0 FGADHM Cc1nc(Cl)ccc1CC(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826326853 608015307 /nfs/dbraw/zinc/01/53/07/608015307.db2.gz HKRSLHJSPYANFO-NSHDSACASA-N -1 3 357.801 3.070 20 0 FGADHM Fc1cc(-c2nnn[n-]2)ccc1Oc1nccc(OCc2ccccc2)n1 ZINC000826372249 608016236 /nfs/dbraw/zinc/01/62/36/608016236.db2.gz OHHZYKGATDEFES-UHFFFAOYSA-N -1 3 364.340 3.167 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1Oc1nccc(OCc2ccccc2)n1 ZINC000826372249 608016237 /nfs/dbraw/zinc/01/62/37/608016237.db2.gz OHHZYKGATDEFES-UHFFFAOYSA-N -1 3 364.340 3.167 20 0 FGADHM C[C@H](OC(=O)c1cnc([C@H]2CCCO2)s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824722599 608028457 /nfs/dbraw/zinc/02/84/57/608028457.db2.gz JPMAMYSBCRZDIQ-GXFFZTMASA-N -1 3 371.422 3.093 20 0 FGADHM C[C@H](OC(=O)c1cnc([C@H]2CCCO2)s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824722599 608028458 /nfs/dbraw/zinc/02/84/58/608028458.db2.gz JPMAMYSBCRZDIQ-GXFFZTMASA-N -1 3 371.422 3.093 20 0 FGADHM C[C@H](OC(=O)c1cnc([C@@H]2CCCO2)s1)c1cccc(-c2nnn[n-]2)c1 ZINC000824723568 608039470 /nfs/dbraw/zinc/03/94/70/608039470.db2.gz SCFCNCHHANXJDR-GWCFXTLKSA-N -1 3 371.422 3.093 20 0 FGADHM C[C@H](OC(=O)c1cnc([C@@H]2CCCO2)s1)c1cccc(-c2nn[n-]n2)c1 ZINC000824723568 608039471 /nfs/dbraw/zinc/03/94/71/608039471.db2.gz SCFCNCHHANXJDR-GWCFXTLKSA-N -1 3 371.422 3.093 20 0 FGADHM CC(C)[C@H](O)C(C)(C)CNc1ccc(-c2nn[n-]n2)cc1Br ZINC000824201219 608051306 /nfs/dbraw/zinc/05/13/06/608051306.db2.gz YVQUGGCADQMSRZ-ZDUSSCGKSA-N -1 3 368.279 3.084 20 0 FGADHM Clc1ccc(Cn2cc(NCc3ccc(-c4nnn[n-]4)s3)cn2)cc1 ZINC000826351936 608055718 /nfs/dbraw/zinc/05/57/18/608055718.db2.gz HOPSDIKFXRQWKO-UHFFFAOYSA-N -1 3 371.857 3.439 20 0 FGADHM CCC(CC)[C@H](C)C(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825096662 608062105 /nfs/dbraw/zinc/06/21/05/608062105.db2.gz PJQXPLZCBRAQNW-AWEZNQCLSA-N -1 3 371.485 3.309 20 0 FGADHM FC(F)CN(CCCOc1cccc(-c2nnn[n-]2)c1)CC1CCC1 ZINC000826369492 608064800 /nfs/dbraw/zinc/06/48/00/608064800.db2.gz FRWLGBHKYMKEAH-UHFFFAOYSA-N -1 3 351.401 3.003 20 0 FGADHM FC(F)CN(CCCOc1cccc(-c2nn[n-]n2)c1)CC1CCC1 ZINC000826369492 608064801 /nfs/dbraw/zinc/06/48/01/608064801.db2.gz FRWLGBHKYMKEAH-UHFFFAOYSA-N -1 3 351.401 3.003 20 0 FGADHM CSc1ccc(CN2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)cc1 ZINC000826231117 608066354 /nfs/dbraw/zinc/06/63/54/608066354.db2.gz XUIOVHZOKTWJLS-SFHVURJKSA-N -1 3 367.478 3.162 20 0 FGADHM CCN(C)[C@@H](C(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000825391160 608091044 /nfs/dbraw/zinc/09/10/44/608091044.db2.gz VWJUCFLPSDWYAC-RDTXWAMCSA-N -1 3 365.437 3.164 20 0 FGADHM CCN(C)[C@@H](C(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000825391160 608091045 /nfs/dbraw/zinc/09/10/45/608091045.db2.gz VWJUCFLPSDWYAC-RDTXWAMCSA-N -1 3 365.437 3.164 20 0 FGADHM CC(C)c1ccc2c(c1)[C@@H](NC(=O)c1ccc(-c3nnn[n-]3)[nH]1)CCC2 ZINC000824348021 608103203 /nfs/dbraw/zinc/10/32/03/608103203.db2.gz WZOMTKWGWKCKGY-HNNXBMFYSA-N -1 3 350.426 3.126 20 0 FGADHM CC(C)c1ccc2c(c1)[C@@H](NC(=O)c1ccc(-c3nn[n-]n3)[nH]1)CCC2 ZINC000824348021 608103204 /nfs/dbraw/zinc/10/32/04/608103204.db2.gz WZOMTKWGWKCKGY-HNNXBMFYSA-N -1 3 350.426 3.126 20 0 FGADHM CC(C)Oc1ccc(NCc2cnc3ccc(-c4nnn[n-]4)cn23)c(F)c1 ZINC000824329981 608112681 /nfs/dbraw/zinc/11/26/81/608112681.db2.gz ZTJLKNKGZQBDPV-UHFFFAOYSA-N -1 3 367.388 3.053 20 0 FGADHM CC(C)Oc1ccc(NCc2cnc3ccc(-c4nn[n-]n4)cn23)c(F)c1 ZINC000824329981 608112682 /nfs/dbraw/zinc/11/26/82/608112682.db2.gz ZTJLKNKGZQBDPV-UHFFFAOYSA-N -1 3 367.388 3.053 20 0 FGADHM COc1ccccc1OC[C@H](C)CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC000826220653 608124210 /nfs/dbraw/zinc/12/42/10/608124210.db2.gz VGSDWSZYBDKZTH-LLVKDONJSA-N -1 3 374.832 3.051 20 0 FGADHM COc1ccccc1OC[C@H](C)CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC000826220653 608124211 /nfs/dbraw/zinc/12/42/11/608124211.db2.gz VGSDWSZYBDKZTH-LLVKDONJSA-N -1 3 374.832 3.051 20 0 FGADHM C[C@H]1CCCC[C@H]1CNc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1 ZINC000824936502 608131274 /nfs/dbraw/zinc/13/12/74/608131274.db2.gz IHLXWSBSEGUMKN-GJZGRUSLSA-N -1 3 370.501 3.066 20 0 FGADHM C[C@H]1CCCC[C@H]1CNc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1 ZINC000824936502 608131275 /nfs/dbraw/zinc/13/12/75/608131275.db2.gz IHLXWSBSEGUMKN-GJZGRUSLSA-N -1 3 370.501 3.066 20 0 FGADHM CCCC(=CC(=O)Nc1cc(-c2nnn[n-]2)ccc1OCCOC)CCC ZINC000825219852 608138473 /nfs/dbraw/zinc/13/84/73/608138473.db2.gz NBFNCGSHHULMMG-UHFFFAOYSA-N -1 3 373.457 3.357 20 0 FGADHM CCCC(=CC(=O)Nc1cc(-c2nn[n-]n2)ccc1OCCOC)CCC ZINC000825219852 608138474 /nfs/dbraw/zinc/13/84/74/608138474.db2.gz NBFNCGSHHULMMG-UHFFFAOYSA-N -1 3 373.457 3.357 20 0 FGADHM C[C@@H]1CN(C(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)CC(C)(C)C1 ZINC000824967483 608139362 /nfs/dbraw/zinc/13/93/62/608139362.db2.gz KSLSSWUJTWUWJY-HNNXBMFYSA-N -1 3 371.485 3.310 20 0 FGADHM C[C@@H]1CN(C(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)CC(C)(C)C1 ZINC000824967483 608139363 /nfs/dbraw/zinc/13/93/63/608139363.db2.gz KSLSSWUJTWUWJY-HNNXBMFYSA-N -1 3 371.485 3.310 20 0 FGADHM CC(C)(C)[C@H]1C[C@@H](Nc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)CCO1 ZINC000824079943 608149838 /nfs/dbraw/zinc/14/98/38/608149838.db2.gz SXXOPTQBBNMQER-JOYOIKCWSA-N -1 3 370.379 3.286 20 0 FGADHM CC(C)(C)[C@H]1C[C@@H](Nc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)CCO1 ZINC000824079943 608149839 /nfs/dbraw/zinc/14/98/39/608149839.db2.gz SXXOPTQBBNMQER-JOYOIKCWSA-N -1 3 370.379 3.286 20 0 FGADHM FC(F)COc1ncccc1CNc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000826369861 608150375 /nfs/dbraw/zinc/15/03/75/608150375.db2.gz UCGSHXQCDZZZHB-UHFFFAOYSA-N -1 3 366.759 3.171 20 0 FGADHM FC(F)COc1ncccc1CNc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000826369861 608150376 /nfs/dbraw/zinc/15/03/76/608150376.db2.gz UCGSHXQCDZZZHB-UHFFFAOYSA-N -1 3 366.759 3.171 20 0 FGADHM Cc1ccncc1[C@H](C)NC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000826314826 608157652 /nfs/dbraw/zinc/15/76/52/608157652.db2.gz NWLDTJJMHGGUBB-LBPRGKRZSA-N -1 3 368.445 3.009 20 0 FGADHM Cc1ccncc1[C@H](C)NC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000826314826 608157654 /nfs/dbraw/zinc/15/76/54/608157654.db2.gz NWLDTJJMHGGUBB-LBPRGKRZSA-N -1 3 368.445 3.009 20 0 FGADHM C[C@H]1OCC[C@@H]1C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825019791 608158173 /nfs/dbraw/zinc/15/81/73/608158173.db2.gz GVEJYNMZHIPXJH-PXAZEXFGSA-N -1 3 365.393 3.023 20 0 FGADHM C[C@H]1OCC[C@@H]1C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825019791 608158174 /nfs/dbraw/zinc/15/81/74/608158174.db2.gz GVEJYNMZHIPXJH-PXAZEXFGSA-N -1 3 365.393 3.023 20 0 FGADHM CCCC(=CC(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1)CCC ZINC000825220582 608168503 /nfs/dbraw/zinc/16/85/03/608168503.db2.gz UVIVANVSFLRHRA-GOSISDBHSA-N -1 3 369.469 3.293 20 0 FGADHM CCCC(=CC(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1)CCC ZINC000825220582 608168505 /nfs/dbraw/zinc/16/85/05/608168505.db2.gz UVIVANVSFLRHRA-GOSISDBHSA-N -1 3 369.469 3.293 20 0 FGADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)[C@H]1CCC[C@H](C)C1 ZINC000825789131 608178892 /nfs/dbraw/zinc/17/88/92/608178892.db2.gz WXOZAQBQMBJCQV-AAEUAGOBSA-N -1 3 353.430 3.001 20 0 FGADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)[C@H]1CCC[C@H](C)C1 ZINC000825789131 608178893 /nfs/dbraw/zinc/17/88/93/608178893.db2.gz WXOZAQBQMBJCQV-AAEUAGOBSA-N -1 3 353.430 3.001 20 0 FGADHM CCOCCC1(C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)CCCC1 ZINC000825590656 608182493 /nfs/dbraw/zinc/18/24/93/608182493.db2.gz ZWYQLCDHWUZWCH-AWEZNQCLSA-N -1 3 358.442 3.458 20 0 FGADHM CCOCCC1(C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)CCCC1 ZINC000825590656 608182494 /nfs/dbraw/zinc/18/24/94/608182494.db2.gz ZWYQLCDHWUZWCH-AWEZNQCLSA-N -1 3 358.442 3.458 20 0 FGADHM COc1ccc(CNc2cccc(Cl)c2N(C)C)cc1-c1nnn[n-]1 ZINC000826203675 608188540 /nfs/dbraw/zinc/18/85/40/608188540.db2.gz ATQFJNUQCXHANC-UHFFFAOYSA-N -1 3 358.833 3.207 20 0 FGADHM COc1ccc(CNc2cccc(Cl)c2N(C)C)cc1-c1nn[n-]n1 ZINC000826203675 608188542 /nfs/dbraw/zinc/18/85/42/608188542.db2.gz ATQFJNUQCXHANC-UHFFFAOYSA-N -1 3 358.833 3.207 20 0 FGADHM COC(=O)C(=Cc1cccc(-c2nnn[n-]2)c1)c1nc(C(C)(C)C)cs1 ZINC000826098994 608198090 /nfs/dbraw/zinc/19/80/90/608198090.db2.gz VHYZGGIHVCIJTK-UKTHLTGXSA-N -1 3 369.450 3.334 20 0 FGADHM COC(=O)C(=Cc1cccc(-c2nn[n-]n2)c1)c1nc(C(C)(C)C)cs1 ZINC000826098994 608198091 /nfs/dbraw/zinc/19/80/91/608198091.db2.gz VHYZGGIHVCIJTK-UKTHLTGXSA-N -1 3 369.450 3.334 20 0 FGADHM C[C@@]1(COC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)CCOC1 ZINC000824829566 608199486 /nfs/dbraw/zinc/19/94/86/608199486.db2.gz FZOCWKRZLYDDMT-HXUWFJFHSA-N -1 3 364.405 3.117 20 0 FGADHM C[C@@]1(COC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)CCOC1 ZINC000824829566 608199487 /nfs/dbraw/zinc/19/94/87/608199487.db2.gz FZOCWKRZLYDDMT-HXUWFJFHSA-N -1 3 364.405 3.117 20 0 FGADHM C[C@@H]1CCC[C@H](C)N1C(=O)CSc1cccc(Cl)c1-c1nnn[n-]1 ZINC000824927474 608205595 /nfs/dbraw/zinc/20/55/95/608205595.db2.gz OUNTVELGJDLDTL-PHIMTYICSA-N -1 3 365.890 3.402 20 0 FGADHM C[C@@H]1CCC[C@H](C)N1C(=O)CSc1cccc(Cl)c1-c1nn[n-]n1 ZINC000824927474 608205596 /nfs/dbraw/zinc/20/55/96/608205596.db2.gz OUNTVELGJDLDTL-PHIMTYICSA-N -1 3 365.890 3.402 20 0 FGADHM O[C@@H](CNc1ccc2cc(-c3nnn[n-]3)ccc2n1)c1cccc(Cl)c1 ZINC000826504534 608224056 /nfs/dbraw/zinc/22/40/56/608224056.db2.gz YBMURITWKJWPBI-INIZCTEOSA-N -1 3 366.812 3.214 20 0 FGADHM O[C@@H](CNc1ccc2cc(-c3nn[n-]n3)ccc2n1)c1cccc(Cl)c1 ZINC000826504534 608224057 /nfs/dbraw/zinc/22/40/57/608224057.db2.gz YBMURITWKJWPBI-INIZCTEOSA-N -1 3 366.812 3.214 20 0 FGADHM c1ccc2c(c1)CCO[C@H]2CNc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000826523562 608229423 /nfs/dbraw/zinc/22/94/23/608229423.db2.gz QDUWDCISPKZEGK-SFHVURJKSA-N -1 3 358.405 3.141 20 0 FGADHM c1ccc2c(c1)CCO[C@H]2CNc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000826523562 608229424 /nfs/dbraw/zinc/22/94/24/608229424.db2.gz QDUWDCISPKZEGK-SFHVURJKSA-N -1 3 358.405 3.141 20 0 FGADHM c1cc(C2CC2)ccc1NCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000826514703 608236677 /nfs/dbraw/zinc/23/66/77/608236677.db2.gz AFSBASTUYKQRFK-UHFFFAOYSA-N -1 3 359.393 3.406 20 0 FGADHM c1cc(C2CC2)ccc1NCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000826514703 608236680 /nfs/dbraw/zinc/23/66/80/608236680.db2.gz AFSBASTUYKQRFK-UHFFFAOYSA-N -1 3 359.393 3.406 20 0 FGADHM COc1ccc([C@H](OC)[C@@H](C)Nc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000826189783 608239156 /nfs/dbraw/zinc/23/91/56/608239156.db2.gz DXFRMXSYEZWDEL-PIGZYNQJSA-N -1 3 357.389 3.203 20 0 FGADHM COc1ccc([C@H](OC)[C@@H](C)Nc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000826189783 608239158 /nfs/dbraw/zinc/23/91/58/608239158.db2.gz DXFRMXSYEZWDEL-PIGZYNQJSA-N -1 3 357.389 3.203 20 0 FGADHM COc1ccc([C@H](OC)[C@H](C)Nc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000826189982 608239811 /nfs/dbraw/zinc/23/98/11/608239811.db2.gz LQTWRXWHRSHNLQ-APPDUMDISA-N -1 3 357.389 3.203 20 0 FGADHM CC(C)[C@H]1C[C@@H](Nc2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)CCO1 ZINC000824213425 608242444 /nfs/dbraw/zinc/24/24/44/608242444.db2.gz BAZGVOSRRGAZGB-XHDPSFHLSA-N -1 3 374.395 3.309 20 0 FGADHM CC(C)[C@H]1C[C@@H](Nc2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)CCO1 ZINC000824213425 608242446 /nfs/dbraw/zinc/24/24/46/608242446.db2.gz BAZGVOSRRGAZGB-XHDPSFHLSA-N -1 3 374.395 3.309 20 0 FGADHM CC(C)[C@H]1C[C@H](Nc2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)CCO1 ZINC000824213422 608242468 /nfs/dbraw/zinc/24/24/68/608242468.db2.gz BAZGVOSRRGAZGB-IAQYHMDHSA-N -1 3 374.395 3.309 20 0 FGADHM CC(C)[C@H]1C[C@H](Nc2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)CCO1 ZINC000824213422 608242470 /nfs/dbraw/zinc/24/24/70/608242470.db2.gz BAZGVOSRRGAZGB-IAQYHMDHSA-N -1 3 374.395 3.309 20 0 FGADHM CC(C)(C)c1ccc2c(c1)CCCN2C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000824137268 608250848 /nfs/dbraw/zinc/25/08/48/608250848.db2.gz ZUPHYLJCNCAPQN-UHFFFAOYSA-N -1 3 350.426 3.085 20 0 FGADHM CC(C)(C)c1ccc2c(c1)CCCN2C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000824137268 608250849 /nfs/dbraw/zinc/25/08/49/608250849.db2.gz ZUPHYLJCNCAPQN-UHFFFAOYSA-N -1 3 350.426 3.085 20 0 FGADHM CC[C@@H]1CC[C@@H](C)N1C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000825191623 608261229 /nfs/dbraw/zinc/26/12/29/608261229.db2.gz DJQGWFIWOIADRH-MWLCHTKSSA-N -1 3 366.372 3.263 20 0 FGADHM CC[C@@H]1CC[C@@H](C)N1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000825191623 608261230 /nfs/dbraw/zinc/26/12/30/608261230.db2.gz DJQGWFIWOIADRH-MWLCHTKSSA-N -1 3 366.372 3.263 20 0 FGADHM FC(F)Oc1cc(-c2nnn[n-]2)ccc1CN(Cc1ccccn1)C1CC1 ZINC000826369723 608262815 /nfs/dbraw/zinc/26/28/15/608262815.db2.gz OGKIPYLQLJUNNP-UHFFFAOYSA-N -1 3 372.379 3.028 20 0 FGADHM FC(F)Oc1cc(-c2nn[n-]n2)ccc1CN(Cc1ccccn1)C1CC1 ZINC000826369723 608262816 /nfs/dbraw/zinc/26/28/16/608262816.db2.gz OGKIPYLQLJUNNP-UHFFFAOYSA-N -1 3 372.379 3.028 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1CSc1nncc2ccccc21 ZINC000826173549 608264633 /nfs/dbraw/zinc/26/46/33/608264633.db2.gz IXCQALYLJRQEKU-UHFFFAOYSA-N -1 3 350.407 3.111 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1CSc1nncc2ccccc21 ZINC000826173549 608264635 /nfs/dbraw/zinc/26/46/35/608264635.db2.gz IXCQALYLJRQEKU-UHFFFAOYSA-N -1 3 350.407 3.111 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cc(C)c(OC)c(C)c1 ZINC000825626888 608299401 /nfs/dbraw/zinc/29/94/01/608299401.db2.gz QMUSMBXUCDXLIB-UHFFFAOYSA-N -1 3 367.409 3.143 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(C)c(OC)c(C)c1 ZINC000825626888 608299403 /nfs/dbraw/zinc/29/94/03/608299403.db2.gz QMUSMBXUCDXLIB-UHFFFAOYSA-N -1 3 367.409 3.143 20 0 FGADHM CCN(C(=O)C(F)(F)c1ccccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367545 608309096 /nfs/dbraw/zinc/30/90/96/608309096.db2.gz SJZFSKLGTBPFCO-UHFFFAOYSA-N -1 3 361.327 3.151 20 0 FGADHM CCN(C(=O)C(F)(F)c1ccccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367545 608309098 /nfs/dbraw/zinc/30/90/98/608309098.db2.gz SJZFSKLGTBPFCO-UHFFFAOYSA-N -1 3 361.327 3.151 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1CSCCOc1ccccc1F ZINC000826173379 608322786 /nfs/dbraw/zinc/32/27/86/608322786.db2.gz AXEFSTMRKPPBGK-UHFFFAOYSA-N -1 3 360.414 3.327 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1CSCCOc1ccccc1F ZINC000826173379 608322787 /nfs/dbraw/zinc/32/27/87/608322787.db2.gz AXEFSTMRKPPBGK-UHFFFAOYSA-N -1 3 360.414 3.327 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)C=C(C)c1cccc(F)c1 ZINC000826171535 608351099 /nfs/dbraw/zinc/35/10/99/608351099.db2.gz QMHHKZXSXNDEFD-WQLSENKSSA-N -1 3 368.368 3.161 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)C=C(C)c1cccc(F)c1 ZINC000826171535 608351101 /nfs/dbraw/zinc/35/11/01/608351101.db2.gz QMHHKZXSXNDEFD-WQLSENKSSA-N -1 3 368.368 3.161 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)[C@@H](C)c1cccc(Cl)c1 ZINC000826170637 608359540 /nfs/dbraw/zinc/35/95/40/608359540.db2.gz JCFQFWYJROFRBW-NSHDSACASA-N -1 3 372.812 3.376 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)[C@@H](C)c1cccc(Cl)c1 ZINC000826170637 608359542 /nfs/dbraw/zinc/35/95/42/608359542.db2.gz JCFQFWYJROFRBW-NSHDSACASA-N -1 3 372.812 3.376 20 0 FGADHM CCc1ccc(N[C@@H](C(=O)OC)c2cccc(-c3nnn[n-]3)c2)cc1CC ZINC000825718110 608390297 /nfs/dbraw/zinc/39/02/97/608390297.db2.gz WBWDMLKVCQTMBE-GOSISDBHSA-N -1 3 365.437 3.318 20 0 FGADHM CCc1ccc(N[C@@H](C(=O)OC)c2cccc(-c3nn[n-]n3)c2)cc1CC ZINC000825718110 608390299 /nfs/dbraw/zinc/39/02/99/608390299.db2.gz WBWDMLKVCQTMBE-GOSISDBHSA-N -1 3 365.437 3.318 20 0 FGADHM C[C@@H]1CC(=O)c2c1c(F)ccc2OCc1cccc(-c2nnn[n-]2)c1F ZINC000824869251 608395195 /nfs/dbraw/zinc/39/51/95/608395195.db2.gz ZMDQKUOSRHBCSI-SECBINFHSA-N -1 3 356.332 3.414 20 0 FGADHM C[C@@H]1CC(=O)c2c1c(F)ccc2OCc1cccc(-c2nn[n-]n2)c1F ZINC000824869251 608395197 /nfs/dbraw/zinc/39/51/97/608395197.db2.gz ZMDQKUOSRHBCSI-SECBINFHSA-N -1 3 356.332 3.414 20 0 FGADHM CC[C@H](C)[C@@H](C)NC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000825059457 608397926 /nfs/dbraw/zinc/39/79/26/608397926.db2.gz FPGYVCLSSDAUSO-UONOGXRCSA-N -1 3 354.458 3.100 20 0 FGADHM CC[C@H](C)[C@@H](C)NC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825059457 608397928 /nfs/dbraw/zinc/39/79/28/608397928.db2.gz FPGYVCLSSDAUSO-UONOGXRCSA-N -1 3 354.458 3.100 20 0 FGADHM Cc1ccc2oc(NCc3nc(-c4cccc(-c5nnn[n-]5)c4)c[nH]3)nc2c1 ZINC000826295557 608410353 /nfs/dbraw/zinc/41/03/53/608410353.db2.gz MQMCCBIGYHNUMJ-UHFFFAOYSA-N -1 3 372.392 3.319 20 0 FGADHM Cc1ccc2oc(NCc3nc(-c4cccc(-c5nn[n-]n5)c4)c[nH]3)nc2c1 ZINC000826295557 608410354 /nfs/dbraw/zinc/41/03/54/608410354.db2.gz MQMCCBIGYHNUMJ-UHFFFAOYSA-N -1 3 372.392 3.319 20 0 FGADHM CC(C)Oc1cccc(CN(C)Cc2cccc(-c3nnn[n-]3)c2F)c1 ZINC000824334615 608414225 /nfs/dbraw/zinc/41/42/25/608414225.db2.gz ZDSIUMLYVFZVLO-UHFFFAOYSA-N -1 3 355.417 3.425 20 0 FGADHM CC[C@@H](N[C@@H](C(=O)OC)c1ccc(-c2nnn[n-]2)cc1)c1ccc(C)cc1 ZINC000825141828 608426228 /nfs/dbraw/zinc/42/62/28/608426228.db2.gz QHSBVRDHGKYGPK-QZTJIDSGSA-N -1 3 365.437 3.130 20 0 FGADHM CC[C@@H](N[C@@H](C(=O)OC)c1ccc(-c2nn[n-]n2)cc1)c1ccc(C)cc1 ZINC000825141828 608426229 /nfs/dbraw/zinc/42/62/29/608426229.db2.gz QHSBVRDHGKYGPK-QZTJIDSGSA-N -1 3 365.437 3.130 20 0 FGADHM O=C(CCc1ccccc1Cl)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826409251 608437224 /nfs/dbraw/zinc/43/72/24/608437224.db2.gz OTRHNUBLFRFMSS-UHFFFAOYSA-N -1 3 360.776 3.335 20 0 FGADHM O=C(CCc1ccccc1Cl)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826409251 608437225 /nfs/dbraw/zinc/43/72/25/608437225.db2.gz OTRHNUBLFRFMSS-UHFFFAOYSA-N -1 3 360.776 3.335 20 0 FGADHM O=C(CCc1cccc(Cl)c1)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826409323 608440440 /nfs/dbraw/zinc/44/04/40/608440440.db2.gz ROSGGAWFSQBUOP-UHFFFAOYSA-N -1 3 360.776 3.335 20 0 FGADHM O=C(CCc1cccc(Cl)c1)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826409323 608440442 /nfs/dbraw/zinc/44/04/42/608440442.db2.gz ROSGGAWFSQBUOP-UHFFFAOYSA-N -1 3 360.776 3.335 20 0 FGADHM Cc1ccc(OCCC(=O)OCc2cccc(-c3nnn[n-]3)c2F)cc1C ZINC000826292248 608441134 /nfs/dbraw/zinc/44/11/34/608441134.db2.gz MWUPHKVMBJOYEZ-UHFFFAOYSA-N -1 3 370.384 3.135 20 0 FGADHM Cc1ccc(OCCC(=O)OCc2cccc(-c3nn[n-]n3)c2F)cc1C ZINC000826292248 608441135 /nfs/dbraw/zinc/44/11/35/608441135.db2.gz MWUPHKVMBJOYEZ-UHFFFAOYSA-N -1 3 370.384 3.135 20 0 FGADHM C[C@H](Cc1cccc(F)c1)C(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000824456989 608443975 /nfs/dbraw/zinc/44/39/75/608443975.db2.gz BXLWHSZKJIMEPF-LLVKDONJSA-N -1 3 358.348 3.067 20 0 FGADHM C[C@H](Cc1cccc(F)c1)C(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000824456989 608443977 /nfs/dbraw/zinc/44/39/77/608443977.db2.gz BXLWHSZKJIMEPF-LLVKDONJSA-N -1 3 358.348 3.067 20 0 FGADHM CC(C)(CC(=O)OCc1cccc(-c2nnn[n-]2)c1F)c1ccccc1 ZINC000824152618 608443990 /nfs/dbraw/zinc/44/39/90/608443990.db2.gz LAVQVJZOLAUPIY-UHFFFAOYSA-N -1 3 354.385 3.417 20 0 FGADHM CC(C)(CC(=O)OCc1cccc(-c2nn[n-]n2)c1F)c1ccccc1 ZINC000824152618 608443992 /nfs/dbraw/zinc/44/39/92/608443992.db2.gz LAVQVJZOLAUPIY-UHFFFAOYSA-N -1 3 354.385 3.417 20 0 FGADHM Cc1ccc2cccc(C(=O)OCc3cccc(-c4nnn[n-]4)c3F)c2n1 ZINC000826295224 608449948 /nfs/dbraw/zinc/44/99/48/608449948.db2.gz XJSPZVACRRYACA-UHFFFAOYSA-N -1 3 363.352 3.219 20 0 FGADHM Cc1ccc2cccc(C(=O)OCc3cccc(-c4nn[n-]n4)c3F)c2n1 ZINC000826295224 608449950 /nfs/dbraw/zinc/44/99/50/608449950.db2.gz XJSPZVACRRYACA-UHFFFAOYSA-N -1 3 363.352 3.219 20 0 FGADHM C[C@H](NCc1ccn(-c2cccc(F)c2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824627301 608465578 /nfs/dbraw/zinc/46/55/78/608465578.db2.gz WOHKJKPRHWXLNR-ZDUSSCGKSA-N -1 3 363.400 3.042 20 0 FGADHM O=C(Nc1ccsc1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826458956 608473340 /nfs/dbraw/zinc/47/33/40/608473340.db2.gz OILKDVYIUYLBAP-UHFFFAOYSA-N -1 3 352.423 3.249 20 0 FGADHM O=C(Nc1ccsc1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826458956 608473342 /nfs/dbraw/zinc/47/33/42/608473342.db2.gz OILKDVYIUYLBAP-UHFFFAOYSA-N -1 3 352.423 3.249 20 0 FGADHM O=C(c1cc(F)ccc1F)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826470102 608479183 /nfs/dbraw/zinc/47/91/83/608479183.db2.gz BXIAHWQIBXXWSG-UHFFFAOYSA-N -1 3 367.359 3.074 20 0 FGADHM O=C(c1cc(F)ccc1F)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826470102 608479185 /nfs/dbraw/zinc/47/91/85/608479185.db2.gz BXIAHWQIBXXWSG-UHFFFAOYSA-N -1 3 367.359 3.074 20 0 FGADHM CCCC1(C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)CCC1 ZINC000825248073 608481196 /nfs/dbraw/zinc/48/11/96/608481196.db2.gz MNWJLFSVXZIVGA-UHFFFAOYSA-N -1 3 351.454 3.453 20 0 FGADHM CCCC1(C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)CCC1 ZINC000825248073 608481198 /nfs/dbraw/zinc/48/11/98/608481198.db2.gz MNWJLFSVXZIVGA-UHFFFAOYSA-N -1 3 351.454 3.453 20 0 FGADHM CCc1ccc(C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)s1 ZINC000825704821 608481719 /nfs/dbraw/zinc/48/17/19/608481719.db2.gz NTHAZVWPIWXKRJ-UHFFFAOYSA-N -1 3 365.462 3.420 20 0 FGADHM CCc1ccc(C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)s1 ZINC000825704821 608481720 /nfs/dbraw/zinc/48/17/20/608481720.db2.gz NTHAZVWPIWXKRJ-UHFFFAOYSA-N -1 3 365.462 3.420 20 0 FGADHM CC1(C)C(C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)C1(C)C ZINC000824784033 608483212 /nfs/dbraw/zinc/48/32/12/608483212.db2.gz MUCGGMWSDLNOLV-UHFFFAOYSA-N -1 3 351.454 3.165 20 0 FGADHM CC1(C)C(C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)C1(C)C ZINC000824784033 608483214 /nfs/dbraw/zinc/48/32/14/608483214.db2.gz MUCGGMWSDLNOLV-UHFFFAOYSA-N -1 3 351.454 3.165 20 0 FGADHM CC(C)CC[C@H](C)NC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824245258 608489919 /nfs/dbraw/zinc/48/99/19/608489919.db2.gz XBBYVIJCKMPLDK-HNNXBMFYSA-N -1 3 368.485 3.490 20 0 FGADHM CC(C)CC[C@H](C)NC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824245258 608489920 /nfs/dbraw/zinc/48/99/20/608489920.db2.gz XBBYVIJCKMPLDK-HNNXBMFYSA-N -1 3 368.485 3.490 20 0 FGADHM c1c(CN(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)[nH]nc1-c1ccccc1 ZINC000826519222 608522136 /nfs/dbraw/zinc/52/21/36/608522136.db2.gz PBIYKZRANBCSKG-UHFFFAOYSA-N -1 3 371.448 3.421 20 0 FGADHM c1csc(-c2nc(CNC3(c4cccc(-c5nnn[n-]5)c4)CC3)co2)c1 ZINC000826513877 608529851 /nfs/dbraw/zinc/52/98/51/608529851.db2.gz ZAYURMJMMCWQMO-UHFFFAOYSA-N -1 3 364.434 3.362 20 0 FGADHM c1csc(-c2nc(CNC3(c4cccc(-c5nn[n-]n5)c4)CC3)co2)c1 ZINC000826513877 608529853 /nfs/dbraw/zinc/52/98/53/608529853.db2.gz ZAYURMJMMCWQMO-UHFFFAOYSA-N -1 3 364.434 3.362 20 0 FGADHM O=C(Nc1nc2c(cc1-c1nnn[n-]1)CCCC2)c1cc(Cl)ccc1F ZINC000826460148 608571537 /nfs/dbraw/zinc/57/15/37/608571537.db2.gz OXBXSNIUPQQODS-UHFFFAOYSA-N -1 3 372.791 3.185 20 0 FGADHM O=C(Nc1nc2c(cc1-c1nn[n-]n1)CCCC2)c1cc(Cl)ccc1F ZINC000826460148 608571538 /nfs/dbraw/zinc/57/15/38/608571538.db2.gz OXBXSNIUPQQODS-UHFFFAOYSA-N -1 3 372.791 3.185 20 0 FGADHM O=C(CCCc1ccccc1)Nc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC000826406540 608572276 /nfs/dbraw/zinc/57/22/76/608572276.db2.gz BISGWNXHALXWBD-UHFFFAOYSA-N -1 3 362.437 3.102 20 0 FGADHM O=C(CCCc1ccccc1)Nc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC000826406540 608572278 /nfs/dbraw/zinc/57/22/78/608572278.db2.gz BISGWNXHALXWBD-UHFFFAOYSA-N -1 3 362.437 3.102 20 0 FGADHM Cc1cccc2c1N(C(=O)c1ccc(Cl)c(-c3nnn[n-]3)c1)CCC2 ZINC000826305248 608574032 /nfs/dbraw/zinc/57/40/32/608574032.db2.gz PWAUKHDPFZOBOU-UHFFFAOYSA-N -1 3 353.813 3.422 20 0 FGADHM Cc1cccc2c1N(C(=O)c1ccc(Cl)c(-c3nn[n-]n3)c1)CCC2 ZINC000826305248 608574033 /nfs/dbraw/zinc/57/40/33/608574033.db2.gz PWAUKHDPFZOBOU-UHFFFAOYSA-N -1 3 353.813 3.422 20 0 FGADHM O=C(c1ccc(Cl)c(-c2nnn[n-]2)c1)N1CCCc2cccc(F)c21 ZINC000826472958 608574548 /nfs/dbraw/zinc/57/45/48/608574548.db2.gz DTQJMLDYMXPRSX-UHFFFAOYSA-N -1 3 357.776 3.252 20 0 FGADHM O=C(c1ccc(Cl)c(-c2nn[n-]n2)c1)N1CCCc2cccc(F)c21 ZINC000826472958 608574550 /nfs/dbraw/zinc/57/45/50/608574550.db2.gz DTQJMLDYMXPRSX-UHFFFAOYSA-N -1 3 357.776 3.252 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)[C@@H]1CCc2c1cccc2Cl ZINC000826453893 608588548 /nfs/dbraw/zinc/58/85/48/608588548.db2.gz CUMSMDJOOVMYMM-GFCCVEGCSA-N -1 3 357.776 3.328 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)[C@@H]1CCc2c1cccc2Cl ZINC000826453893 608588550 /nfs/dbraw/zinc/58/85/50/608588550.db2.gz CUMSMDJOOVMYMM-GFCCVEGCSA-N -1 3 357.776 3.328 20 0 FGADHM Cc1cc(C(=O)Nc2ccccc2-c2nnn[n-]2)c(C)cc1Br ZINC000826260635 608667757 /nfs/dbraw/zinc/66/77/57/608667757.db2.gz YBMQFCPQNYLKTL-UHFFFAOYSA-N -1 3 372.226 3.498 20 0 FGADHM Cc1cc(C(=O)Nc2ccccc2-c2nn[n-]n2)c(C)cc1Br ZINC000826260635 608667758 /nfs/dbraw/zinc/66/77/58/608667758.db2.gz YBMQFCPQNYLKTL-UHFFFAOYSA-N -1 3 372.226 3.498 20 0 FGADHM CCO[C@H](C)c1nc(CN(C)Cc2ccc(-c3nnn[n-]3)s2)cs1 ZINC000825575921 608730939 /nfs/dbraw/zinc/73/09/39/608730939.db2.gz ADZQLXXEQJQUIA-SNVBAGLBSA-N -1 3 364.500 3.114 20 0 FGADHM COc1cc(C)nc(CNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c1 ZINC000826177939 608751799 /nfs/dbraw/zinc/75/17/99/608751799.db2.gz BTTFRQFPRYVFLY-UHFFFAOYSA-N -1 3 364.331 3.210 20 0 FGADHM COc1cc(C)nc(CNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c1 ZINC000826177939 608751802 /nfs/dbraw/zinc/75/18/02/608751802.db2.gz BTTFRQFPRYVFLY-UHFFFAOYSA-N -1 3 364.331 3.210 20 0 FGADHM Clc1cccc(C2(CNc3cnccc3-c3nnn[n-]3)CCOCC2)c1 ZINC000826353324 608777546 /nfs/dbraw/zinc/77/75/46/608777546.db2.gz KNDPLEAYQNNPAL-UHFFFAOYSA-N -1 3 370.844 3.075 20 0 FGADHM Clc1cccc(C2(CNc3cnccc3-c3nn[n-]n3)CCOCC2)c1 ZINC000826353324 608777549 /nfs/dbraw/zinc/77/75/49/608777549.db2.gz KNDPLEAYQNNPAL-UHFFFAOYSA-N -1 3 370.844 3.075 20 0 FGADHM Cc1cc(C)cc(C2=CCN(C(=O)c3cccc(-c4nnn[n-]4)c3)CC2)c1 ZINC000826264135 608829061 /nfs/dbraw/zinc/82/90/61/608829061.db2.gz DCNQDHSQHUANTJ-UHFFFAOYSA-N -1 3 359.433 3.413 20 0 FGADHM Cc1cc(C)cc(C2=CCN(C(=O)c3cccc(-c4nn[n-]n4)c3)CC2)c1 ZINC000826264135 608829063 /nfs/dbraw/zinc/82/90/63/608829063.db2.gz DCNQDHSQHUANTJ-UHFFFAOYSA-N -1 3 359.433 3.413 20 0 FGADHM Cc1ncc(C(=O)Oc2ccc(-c3ccc(-c4nnn[n-]4)cc3)cc2)c(C)n1 ZINC000826329966 609135616 /nfs/dbraw/zinc/13/56/16/609135616.db2.gz ZWDFHIHHDJSEGQ-UHFFFAOYSA-N -1 3 372.388 3.160 20 0 FGADHM Cc1ncc(C(=O)Oc2ccc(-c3ccc(-c4nn[n-]n4)cc3)cc2)c(C)n1 ZINC000826329966 609135618 /nfs/dbraw/zinc/13/56/18/609135618.db2.gz ZWDFHIHHDJSEGQ-UHFFFAOYSA-N -1 3 372.388 3.160 20 0 FGADHM O=C(OCc1ccccc1-c1nnn[n-]1)c1ccc([C@H]2CCCOC2)cc1 ZINC000826467502 609136576 /nfs/dbraw/zinc/13/65/76/609136576.db2.gz ZEBVPHVUXCEINU-INIZCTEOSA-N -1 3 364.405 3.118 20 0 FGADHM O=C(OCc1ccccc1-c1nn[n-]n1)c1ccc([C@H]2CCCOC2)cc1 ZINC000826467502 609136577 /nfs/dbraw/zinc/13/65/77/609136577.db2.gz ZEBVPHVUXCEINU-INIZCTEOSA-N -1 3 364.405 3.118 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N1CCC[C@@H]1/C=C/c1ccccc1 ZINC000826422641 609138009 /nfs/dbraw/zinc/13/80/09/609138009.db2.gz HBOSZMKLGARBKW-TZZQJPOUSA-N -1 3 359.433 3.114 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N1CCC[C@@H]1/C=C/c1ccccc1 ZINC000826422641 609138011 /nfs/dbraw/zinc/13/80/11/609138011.db2.gz HBOSZMKLGARBKW-TZZQJPOUSA-N -1 3 359.433 3.114 20 0 FGADHM CCCSCC(=O)Nc1c(-c2nnn[n-]2)c(C)c(C)n1-c1ccccc1 ZINC000825342916 609164480 /nfs/dbraw/zinc/16/44/80/609164480.db2.gz YGWQDJCERDRTHC-UHFFFAOYSA-N -1 3 370.482 3.356 20 0 FGADHM CCCSCC(=O)Nc1c(-c2nn[n-]n2)c(C)c(C)n1-c1ccccc1 ZINC000825342916 609164481 /nfs/dbraw/zinc/16/44/81/609164481.db2.gz YGWQDJCERDRTHC-UHFFFAOYSA-N -1 3 370.482 3.356 20 0 FGADHM CC(C)(C)C[C@@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC000824086095 609197354 /nfs/dbraw/zinc/19/73/54/609197354.db2.gz JSXDNXQSCKIHGS-OAHLLOKOSA-N -1 3 356.405 3.241 20 0 FGADHM CC(C)(C)C[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC000824086095 609197355 /nfs/dbraw/zinc/19/73/55/609197355.db2.gz JSXDNXQSCKIHGS-OAHLLOKOSA-N -1 3 356.405 3.241 20 0 FGADHM COCCOc1cccc(CNc2ccc(Cl)c(-c3nnn[n-]3)c2)c1 ZINC000826163511 609199535 /nfs/dbraw/zinc/19/95/35/609199535.db2.gz XUCCHHWSGYYKMA-UHFFFAOYSA-N -1 3 359.817 3.157 20 0 FGADHM COCCOc1cccc(CNc2ccc(Cl)c(-c3nn[n-]n3)c2)c1 ZINC000826163511 609199536 /nfs/dbraw/zinc/19/95/36/609199536.db2.gz XUCCHHWSGYYKMA-UHFFFAOYSA-N -1 3 359.817 3.157 20 0 FGADHM C[C@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1ccccc1Oc1ccccc1 ZINC000824513699 609206396 /nfs/dbraw/zinc/20/63/96/609206396.db2.gz GEXNXXJCFFIEJI-ZDUSSCGKSA-N -1 3 374.404 3.478 20 0 FGADHM C[C@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccccc1Oc1ccccc1 ZINC000824513699 609206397 /nfs/dbraw/zinc/20/63/97/609206397.db2.gz GEXNXXJCFFIEJI-ZDUSSCGKSA-N -1 3 374.404 3.478 20 0 FGADHM COc1ccc(N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c(OC)c1OC ZINC000826210394 609247395 /nfs/dbraw/zinc/24/73/95/609247395.db2.gz PPBBWHWPCGLLOM-NSHDSACASA-N -1 3 355.398 3.066 20 0 FGADHM COc1ccc(N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c(OC)c1OC ZINC000826210394 609247396 /nfs/dbraw/zinc/24/73/96/609247396.db2.gz PPBBWHWPCGLLOM-NSHDSACASA-N -1 3 355.398 3.066 20 0 FGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1)C1(c2ccc(F)cc2F)CCC1 ZINC000826465835 609247982 /nfs/dbraw/zinc/24/79/82/609247982.db2.gz FRWLATGHLPCQEC-UHFFFAOYSA-N -1 3 370.359 3.310 20 0 FGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1)C1(c2ccc(F)cc2F)CCC1 ZINC000826465835 609247983 /nfs/dbraw/zinc/24/79/83/609247983.db2.gz FRWLATGHLPCQEC-UHFFFAOYSA-N -1 3 370.359 3.310 20 0 FGADHM CC(C)[C@@H](N[C@H](C)c1ccc(-c2nnn[n-]2)c(F)c1)C(=O)OC(C)(C)C ZINC000824650235 609254278 /nfs/dbraw/zinc/25/42/78/609254278.db2.gz QHDPVDOYHUIAMZ-IAQYHMDHSA-N -1 3 363.437 3.023 20 0 FGADHM CC(C)[C@@H](N[C@H](C)c1ccc(-c2nn[n-]n2)c(F)c1)C(=O)OC(C)(C)C ZINC000824650235 609254279 /nfs/dbraw/zinc/25/42/79/609254279.db2.gz QHDPVDOYHUIAMZ-IAQYHMDHSA-N -1 3 363.437 3.023 20 0 FGADHM O=C(Oc1cccc(Oc2cccnc2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826468528 609258460 /nfs/dbraw/zinc/25/84/60/609258460.db2.gz VPSHTSALMWDNFH-UHFFFAOYSA-N -1 3 359.345 3.273 20 0 FGADHM O=C(Oc1cccc(Oc2cccnc2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826468528 609258461 /nfs/dbraw/zinc/25/84/61/609258461.db2.gz VPSHTSALMWDNFH-UHFFFAOYSA-N -1 3 359.345 3.273 20 0 FGADHM C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000824908910 609265092 /nfs/dbraw/zinc/26/50/92/609265092.db2.gz ROHJAKSUUIOZLS-SCZZXKLOSA-N -1 3 373.766 3.323 20 0 FGADHM C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000824908910 609265094 /nfs/dbraw/zinc/26/50/94/609265094.db2.gz ROHJAKSUUIOZLS-SCZZXKLOSA-N -1 3 373.766 3.323 20 0 FGADHM c1sc(CNc2ccc(Oc3cccnc3)nc2)cc1-c1nnn[n-]1 ZINC000826525818 609268029 /nfs/dbraw/zinc/26/80/29/609268029.db2.gz ALAQBTHPFLVTBX-UHFFFAOYSA-N -1 3 351.395 3.123 20 0 FGADHM c1sc(CNc2ccc(Oc3cccnc3)nc2)cc1-c1nn[n-]n1 ZINC000826525818 609268030 /nfs/dbraw/zinc/26/80/30/609268030.db2.gz ALAQBTHPFLVTBX-UHFFFAOYSA-N -1 3 351.395 3.123 20 0 FGADHM COc1cc(OC)c(OC)cc1N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826181156 609279763 /nfs/dbraw/zinc/27/97/63/609279763.db2.gz MXQOPMJKDIPTQJ-NSHDSACASA-N -1 3 355.398 3.066 20 0 FGADHM COc1cc(OC)c(OC)cc1N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826181156 609279765 /nfs/dbraw/zinc/27/97/65/609279765.db2.gz MXQOPMJKDIPTQJ-NSHDSACASA-N -1 3 355.398 3.066 20 0 FGADHM C[C@H](Nc1ccc(N2CCO[C@@H](C)C2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824993364 609280102 /nfs/dbraw/zinc/28/01/02/609280102.db2.gz QERRMMXDZZZEAQ-GJZGRUSLSA-N -1 3 364.453 3.265 20 0 FGADHM C[C@H](Nc1ccc(N2CCO[C@@H](C)C2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824993364 609280104 /nfs/dbraw/zinc/28/01/04/609280104.db2.gz QERRMMXDZZZEAQ-GJZGRUSLSA-N -1 3 364.453 3.265 20 0 FGADHM CN(C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)[C@@H]1CCc2ccccc21 ZINC000825830197 609286859 /nfs/dbraw/zinc/28/68/59/609286859.db2.gz NTCXFSBJDROGFK-MRXNPFEDSA-N -1 3 353.813 3.280 20 0 FGADHM CN(C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)[C@@H]1CCc2ccccc21 ZINC000825830197 609286861 /nfs/dbraw/zinc/28/68/61/609286861.db2.gz NTCXFSBJDROGFK-MRXNPFEDSA-N -1 3 353.813 3.280 20 0 FGADHM CCCC(CCC)C(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000825242220 609288822 /nfs/dbraw/zinc/28/88/22/609288822.db2.gz LLQYWQKELVECJW-UHFFFAOYSA-N -1 3 371.420 3.346 20 0 FGADHM C[C@H](Cc1ccccc1F)NC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000824457515 609289849 /nfs/dbraw/zinc/28/98/49/609289849.db2.gz OKCGKOLZBYJMKG-SNVBAGLBSA-N -1 3 359.792 3.020 20 0 FGADHM C[C@H](Cc1ccccc1F)NC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000824457515 609289850 /nfs/dbraw/zinc/28/98/50/609289850.db2.gz OKCGKOLZBYJMKG-SNVBAGLBSA-N -1 3 359.792 3.020 20 0 FGADHM Cc1ccc(C[C@H](C)NC(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)s1 ZINC000826287558 609300037 /nfs/dbraw/zinc/30/00/37/609300037.db2.gz TZLLGACTEDMOCE-VIFPVBQESA-N -1 3 361.858 3.251 20 0 FGADHM Cc1ccc(C[C@H](C)NC(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)s1 ZINC000826287558 609300039 /nfs/dbraw/zinc/30/00/39/609300039.db2.gz TZLLGACTEDMOCE-VIFPVBQESA-N -1 3 361.858 3.251 20 0 FGADHM CC[C@@H](C)n1nc(C(=O)N(CC)c2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000825074311 609324156 /nfs/dbraw/zinc/32/41/56/609324156.db2.gz FUYFIZJVYURJII-GFCCVEGCSA-N -1 3 353.430 3.009 20 0 FGADHM CC[C@@H](C)n1nc(C(=O)N(CC)c2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000825074311 609324158 /nfs/dbraw/zinc/32/41/58/609324158.db2.gz FUYFIZJVYURJII-GFCCVEGCSA-N -1 3 353.430 3.009 20 0 FGADHM CC(C)CN(C(=O)c1cnn(CC(C)C)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824255607 609374909 /nfs/dbraw/zinc/37/49/09/609374909.db2.gz PUSYDINNTSDBFO-UHFFFAOYSA-N -1 3 367.457 3.022 20 0 FGADHM CC(C)CN(C(=O)c1cnn(CC(C)C)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824255607 609374910 /nfs/dbraw/zinc/37/49/10/609374910.db2.gz PUSYDINNTSDBFO-UHFFFAOYSA-N -1 3 367.457 3.022 20 0 FGADHM C[C@H]1CC[C@@]2(CCN(C(=O)Nc3cc(-c4nnn[n-]4)cn3C(C)(C)C)C2)C1 ZINC000824919163 609377374 /nfs/dbraw/zinc/37/73/74/609377374.db2.gz SGAMUFCBVICJNE-ORAYPTAESA-N -1 3 371.489 3.467 20 0 FGADHM C[C@H]1CC[C@@]2(CCN(C(=O)Nc3cc(-c4nn[n-]n4)cn3C(C)(C)C)C2)C1 ZINC000824919163 609377376 /nfs/dbraw/zinc/37/73/76/609377376.db2.gz SGAMUFCBVICJNE-ORAYPTAESA-N -1 3 371.489 3.467 20 0 FGADHM CCN(C(=O)C[C@@H]1CCO[C@@H](C(C)C)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825366725 609392578 /nfs/dbraw/zinc/39/25/78/609392578.db2.gz FKDZUQLVKZWVAG-RHSMWYFYSA-N -1 3 357.458 3.061 20 0 FGADHM CCN(C(=O)C[C@@H]1CCO[C@@H](C(C)C)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825366725 609392580 /nfs/dbraw/zinc/39/25/80/609392580.db2.gz FKDZUQLVKZWVAG-RHSMWYFYSA-N -1 3 357.458 3.061 20 0 FGADHM CC[C@@H]1C[C@@H](CC(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)CCO1 ZINC000825184696 609394177 /nfs/dbraw/zinc/39/41/77/609394177.db2.gz YHUCOYYQSAEUSW-WCQYABFASA-N -1 3 363.849 3.078 20 0 FGADHM CC[C@@H]1C[C@@H](CC(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)CCO1 ZINC000825184696 609394179 /nfs/dbraw/zinc/39/41/79/609394179.db2.gz YHUCOYYQSAEUSW-WCQYABFASA-N -1 3 363.849 3.078 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)C[C@H]1CCO[C@H](C(C)C)C1 ZINC000826253187 609397301 /nfs/dbraw/zinc/39/73/01/609397301.db2.gz HOENLVYZWQZCJD-YOEHRIQHSA-N -1 3 358.442 3.060 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)C[C@H]1CCO[C@H](C(C)C)C1 ZINC000826253187 609397304 /nfs/dbraw/zinc/39/73/04/609397304.db2.gz HOENLVYZWQZCJD-YOEHRIQHSA-N -1 3 358.442 3.060 20 0 FGADHM CCN(C(=O)c1cnn(CC(C)C)c1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825390813 609397701 /nfs/dbraw/zinc/39/77/01/609397701.db2.gz NEWQCTCOKYMJCQ-UHFFFAOYSA-N -1 3 373.848 3.039 20 0 FGADHM CCN(C(=O)c1cnn(CC(C)C)c1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825390813 609397704 /nfs/dbraw/zinc/39/77/04/609397704.db2.gz NEWQCTCOKYMJCQ-UHFFFAOYSA-N -1 3 373.848 3.039 20 0 FGADHM Cc1ccc(C)c(N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)c1 ZINC000826285248 609406430 /nfs/dbraw/zinc/40/64/30/609406430.db2.gz TZYCTMXRHTVQAS-QGZVFWFLSA-N -1 3 362.437 3.091 20 0 FGADHM Cc1ccc(C)c(N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)c1 ZINC000826285248 609406433 /nfs/dbraw/zinc/40/64/33/609406433.db2.gz TZYCTMXRHTVQAS-QGZVFWFLSA-N -1 3 362.437 3.091 20 0 FGADHM COc1ccc2c(c1)C[C@@H](C)N(C(=O)c1sccc1-c1nnn[n-]1)[C@@H]2C ZINC000826212380 609408257 /nfs/dbraw/zinc/40/82/57/609408257.db2.gz OQNUIWPJOCVAEV-GHMZBOCLSA-N -1 3 369.450 3.085 20 0 FGADHM COc1ccc2c(c1)C[C@@H](C)N(C(=O)c1sccc1-c1nn[n-]n1)[C@@H]2C ZINC000826212380 609408258 /nfs/dbraw/zinc/40/82/58/609408258.db2.gz OQNUIWPJOCVAEV-GHMZBOCLSA-N -1 3 369.450 3.085 20 0 FGADHM Cc1onc(-c2ccccc2)c1C(=O)OCc1ccccc1-c1nnn[n-]1 ZINC000826343392 609440467 /nfs/dbraw/zinc/44/04/67/609440467.db2.gz YWWUYPKKMKKHFT-UHFFFAOYSA-N -1 3 361.361 3.187 20 0 FGADHM Cc1onc(-c2ccccc2)c1C(=O)OCc1ccccc1-c1nn[n-]n1 ZINC000826343392 609440470 /nfs/dbraw/zinc/44/04/70/609440470.db2.gz YWWUYPKKMKKHFT-UHFFFAOYSA-N -1 3 361.361 3.187 20 0 FGADHM O=C(CSCCCc1cccc(F)c1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000826420053 609442429 /nfs/dbraw/zinc/44/24/29/609442429.db2.gz WRUDDVSPCBOCCE-UHFFFAOYSA-N -1 3 371.441 3.310 20 0 FGADHM O=C(CSCCCc1cccc(F)c1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000826420053 609442430 /nfs/dbraw/zinc/44/24/30/609442430.db2.gz WRUDDVSPCBOCCE-UHFFFAOYSA-N -1 3 371.441 3.310 20 0 FGADHM Fc1ccc(CNc2ccn(-c3ccc(-c4nn[n-]n4)cc3Cl)n2)cc1 ZINC000826374680 609446623 /nfs/dbraw/zinc/44/66/23/609446623.db2.gz JCGSNINDXDCGOQ-UHFFFAOYSA-N -1 3 369.791 3.457 20 0 FGADHM Cc1cc(C(=O)NC(C)C)ccc1NCc1cccc(-c2nnn[n-]2)c1F ZINC000826258384 609476306 /nfs/dbraw/zinc/47/63/06/609476306.db2.gz JQZWANYIQQFFOI-UHFFFAOYSA-N -1 3 368.416 3.065 20 0 FGADHM Cc1cc(C(=O)NC(C)C)ccc1NCc1cccc(-c2nn[n-]n2)c1F ZINC000826258384 609476307 /nfs/dbraw/zinc/47/63/07/609476307.db2.gz JQZWANYIQQFFOI-UHFFFAOYSA-N -1 3 368.416 3.065 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NCc1cnc(-c2ccccc2)nc1 ZINC000825632554 609478125 /nfs/dbraw/zinc/47/81/25/609478125.db2.gz WQLKISZWFQJVDX-UHFFFAOYSA-N -1 3 373.420 3.335 20 0 FGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NCc1ccc2c(c1)OCCO2 ZINC000824324762 609478697 /nfs/dbraw/zinc/47/86/97/609478697.db2.gz URQXIQQPSZVGCY-UHFFFAOYSA-N -1 3 367.409 3.037 20 0 FGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NCc1ccc2c(c1)OCCO2 ZINC000824324762 609478699 /nfs/dbraw/zinc/47/86/99/609478699.db2.gz URQXIQQPSZVGCY-UHFFFAOYSA-N -1 3 367.409 3.037 20 0 FGADHM Cc1ccc(NCc2cccc(-c3nnn[n-]3)c2F)cc1C(=O)NC(C)C ZINC000826291758 609479198 /nfs/dbraw/zinc/47/91/98/609479198.db2.gz UYEZHVYMIFSWDV-UHFFFAOYSA-N -1 3 368.416 3.065 20 0 FGADHM Cc1ccc(NCc2cccc(-c3nn[n-]n3)c2F)cc1C(=O)NC(C)C ZINC000826291758 609479199 /nfs/dbraw/zinc/47/91/99/609479199.db2.gz UYEZHVYMIFSWDV-UHFFFAOYSA-N -1 3 368.416 3.065 20 0 FGADHM CCOCc1cc(CNc2cc(-c3nnn[n-]3)ccc2C)ccc1OC ZINC000825604867 609480170 /nfs/dbraw/zinc/48/01/70/609480170.db2.gz LHLKGKMOKSVKTK-UHFFFAOYSA-N -1 3 353.426 3.332 20 0 FGADHM CCOCc1cc(CNc2cc(-c3nn[n-]n3)ccc2C)ccc1OC ZINC000825604867 609480173 /nfs/dbraw/zinc/48/01/73/609480173.db2.gz LHLKGKMOKSVKTK-UHFFFAOYSA-N -1 3 353.426 3.332 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NCc1ccc(Oc2cnccn2)cc1 ZINC000826278882 609480179 /nfs/dbraw/zinc/48/01/79/609480179.db2.gz WZWDSYAFKDQAMN-UHFFFAOYSA-N -1 3 359.393 3.370 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NCc1ccc(Oc2cnccn2)cc1 ZINC000826278882 609480182 /nfs/dbraw/zinc/48/01/82/609480182.db2.gz WZWDSYAFKDQAMN-UHFFFAOYSA-N -1 3 359.393 3.370 20 0 FGADHM Cc1cc(NCc2cccc(-c3nnn[n-]3)c2F)nn1-c1cccc(F)c1 ZINC000826271219 609481569 /nfs/dbraw/zinc/48/15/69/609481569.db2.gz IJQCJHRPYWOAOU-UHFFFAOYSA-N -1 3 367.363 3.251 20 0 FGADHM Cc1cc(NCc2cccc(-c3nn[n-]n3)c2F)nn1-c1cccc(F)c1 ZINC000826271219 609481570 /nfs/dbraw/zinc/48/15/70/609481570.db2.gz IJQCJHRPYWOAOU-UHFFFAOYSA-N -1 3 367.363 3.251 20 0 FGADHM C[C@H]1CCC[C@@H]1C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(F)(F)F ZINC000824925516 609489183 /nfs/dbraw/zinc/48/91/83/609489183.db2.gz DQONLZCQQQCVBR-FZMZJTMJSA-N -1 3 367.375 3.194 20 0 FGADHM C[C@H]1CCC[C@@H]1C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(F)(F)F ZINC000824925516 609489185 /nfs/dbraw/zinc/48/91/85/609489185.db2.gz DQONLZCQQQCVBR-FZMZJTMJSA-N -1 3 367.375 3.194 20 0 FGADHM C[C@H]1CN(C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)CC(C)(C)C1 ZINC000824975807 609494594 /nfs/dbraw/zinc/49/45/94/609494594.db2.gz LJWPXIHPXBLINL-GFCCVEGCSA-N -1 3 359.478 3.323 20 0 FGADHM C[C@H]1CN(C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)CC(C)(C)C1 ZINC000824975807 609494596 /nfs/dbraw/zinc/49/45/96/609494596.db2.gz LJWPXIHPXBLINL-GFCCVEGCSA-N -1 3 359.478 3.323 20 0 FGADHM Cc1cnc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCC3)c(C)c1 ZINC000826317621 609509097 /nfs/dbraw/zinc/50/90/97/609509097.db2.gz JTBZBOMSGARVRO-UHFFFAOYSA-N -1 3 368.466 3.461 20 0 FGADHM Cc1cnc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCC3)c(C)c1 ZINC000826317621 609509098 /nfs/dbraw/zinc/50/90/98/609509098.db2.gz JTBZBOMSGARVRO-UHFFFAOYSA-N -1 3 368.466 3.461 20 0 FGADHM Cc1ccnc(NCc2ccc(OCC(F)(F)F)cc2)c1-c1nnn[n-]1 ZINC000826314119 609527753 /nfs/dbraw/zinc/52/77/53/609527753.db2.gz HJFOOTFWYNUCOQ-UHFFFAOYSA-N -1 3 364.331 3.123 20 0 FGADHM Cc1ccnc(NCc2ccc(OCC(F)(F)F)cc2)c1-c1nn[n-]n1 ZINC000826314119 609527756 /nfs/dbraw/zinc/52/77/56/609527756.db2.gz HJFOOTFWYNUCOQ-UHFFFAOYSA-N -1 3 364.331 3.123 20 0 FGADHM Cc1ccnc(N(C)C[C@@H]2CCCO[C@H]2c2ccccc2)c1-c1nnn[n-]1 ZINC000826309663 609543187 /nfs/dbraw/zinc/54/31/87/609543187.db2.gz XENKTJVKFDCZHV-WMZOPIPTSA-N -1 3 364.453 3.174 20 0 FGADHM Cc1ccnc(N(C)C[C@@H]2CCCO[C@H]2c2ccccc2)c1-c1nn[n-]n1 ZINC000826309663 609543188 /nfs/dbraw/zinc/54/31/88/609543188.db2.gz XENKTJVKFDCZHV-WMZOPIPTSA-N -1 3 364.453 3.174 20 0 FGADHM Cc1c(Cl)cnc(N2CC[C@@H](c3ccccc3F)C2)c1-c1nnn[n-]1 ZINC000826237492 609549530 /nfs/dbraw/zinc/54/95/30/609549530.db2.gz BOJGTOYYEDBWCO-LLVKDONJSA-N -1 3 358.808 3.357 20 0 FGADHM Cc1c(Cl)cnc(N2CC[C@@H](c3ccccc3F)C2)c1-c1nn[n-]n1 ZINC000826237492 609549532 /nfs/dbraw/zinc/54/95/32/609549532.db2.gz BOJGTOYYEDBWCO-LLVKDONJSA-N -1 3 358.808 3.357 20 0 FGADHM Cc1ccnc(N2CCc3c(Cl)cc(Cl)cc3C2)c1-c1nnn[n-]1 ZINC000826311981 609578853 /nfs/dbraw/zinc/57/88/53/609578853.db2.gz RZHRFXXDEHUFPZ-UHFFFAOYSA-N -1 3 361.236 3.440 20 0 FGADHM Cc1ccnc(N2CCc3c(Cl)cc(Cl)cc3C2)c1-c1nn[n-]n1 ZINC000826311981 609578855 /nfs/dbraw/zinc/57/88/55/609578855.db2.gz RZHRFXXDEHUFPZ-UHFFFAOYSA-N -1 3 361.236 3.440 20 0 FGADHM COc1ccccc1[C@@H]1CCCCN1c1nccc(C)c1-c1nnn[n-]1 ZINC000826218630 609582699 /nfs/dbraw/zinc/58/26/99/609582699.db2.gz HQIHCIXGKZFUOD-HNNXBMFYSA-N -1 3 350.426 3.310 20 0 FGADHM COc1ccccc1[C@@H]1CCCCN1c1nccc(C)c1-c1nn[n-]n1 ZINC000826218630 609582701 /nfs/dbraw/zinc/58/27/01/609582701.db2.gz HQIHCIXGKZFUOD-HNNXBMFYSA-N -1 3 350.426 3.310 20 0 FGADHM Cc1c(Cl)cnc(N[C@@H](c2ccccc2)[C@@H]2CCOC2)c1-c1nnn[n-]1 ZINC000826238483 609584393 /nfs/dbraw/zinc/58/43/93/609584393.db2.gz HMBAMMARWDMUQF-CJNGLKHVSA-N -1 3 370.844 3.413 20 0 FGADHM Cc1c(Cl)cnc(N[C@@H](c2ccccc2)[C@@H]2CCOC2)c1-c1nn[n-]n1 ZINC000826238483 609584396 /nfs/dbraw/zinc/58/43/96/609584396.db2.gz HMBAMMARWDMUQF-CJNGLKHVSA-N -1 3 370.844 3.413 20 0 FGADHM O=C(Nc1nc(Cc2ccccc2)cs1)c1cccc(-c2nnn[n-]2)c1 ZINC000826460297 609586192 /nfs/dbraw/zinc/58/61/92/609586192.db2.gz WWAFZXAOCDCHEY-UHFFFAOYSA-N -1 3 362.418 3.166 20 0 FGADHM O=C(Nc1nc(Cc2ccccc2)cs1)c1cccc(-c2nn[n-]n2)c1 ZINC000826460297 609586193 /nfs/dbraw/zinc/58/61/93/609586193.db2.gz WWAFZXAOCDCHEY-UHFFFAOYSA-N -1 3 362.418 3.166 20 0 FGADHM Cc1ccc2c(c1)[C@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)[C@H](C)C2 ZINC000826294692 609603954 /nfs/dbraw/zinc/60/39/54/609603954.db2.gz ZBBMJGGHAFETTD-BPURTMGMSA-N -1 3 359.433 3.238 20 0 FGADHM Cc1ccc2c(c1)[C@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)[C@H](C)C2 ZINC000826294692 609603956 /nfs/dbraw/zinc/60/39/56/609603956.db2.gz ZBBMJGGHAFETTD-BPURTMGMSA-N -1 3 359.433 3.238 20 0 FGADHM C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000824909811 609606552 /nfs/dbraw/zinc/60/65/52/609606552.db2.gz VCKSGAUKEJOZKP-KOLCDFICSA-N -1 3 354.336 3.061 20 0 FGADHM C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000824909811 609606554 /nfs/dbraw/zinc/60/65/54/609606554.db2.gz VCKSGAUKEJOZKP-KOLCDFICSA-N -1 3 354.336 3.061 20 0 FGADHM Cc1cc(C)c([C@H](C)OC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)c(C)c1 ZINC000826263104 609636418 /nfs/dbraw/zinc/63/64/18/609636418.db2.gz LOTZTHULAPMSKX-KBXCAEBGSA-N -1 3 366.421 3.130 20 0 FGADHM Cc1cc(C)c([C@H](C)OC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)c(C)c1 ZINC000826263104 609636420 /nfs/dbraw/zinc/63/64/20/609636420.db2.gz LOTZTHULAPMSKX-KBXCAEBGSA-N -1 3 366.421 3.130 20 0 FGADHM O=C(COC(=O)c1ccc([O-])cc1)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000011078069 695596635 /nfs/dbraw/zinc/59/66/35/695596635.db2.gz USSQFCWNPNAICJ-UHFFFAOYSA-N -1 3 371.723 3.443 20 0 FGADHM C[C@@H](Oc1ccc(F)cc1)C(=O)N[N-]C(=O)c1cc(Cl)ccc1Cl ZINC000015384628 695618464 /nfs/dbraw/zinc/61/84/64/695618464.db2.gz SCOAAESMYWANPD-SECBINFHSA-N -1 3 371.195 3.361 20 0 FGADHM Cc1nc(CC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)cs1 ZINC000029395623 695712677 /nfs/dbraw/zinc/71/26/77/695712677.db2.gz JCUCPFXHKVAIHL-UHFFFAOYSA-N -1 3 351.280 3.279 20 0 FGADHM C[C@H]1C[C@@H]1CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000032394200 695743081 /nfs/dbraw/zinc/74/30/81/695743081.db2.gz QKNNVKWZEPXJRP-GXTWGEPZSA-N -1 3 362.426 3.012 20 0 FGADHM Cc1ccc(C(=O)NNC(=S)Nc2cccc(C(F)(F)F)c2)c([O-])c1 ZINC000042174839 695774829 /nfs/dbraw/zinc/77/48/29/695774829.db2.gz ITNWKXZJXMJJFO-UHFFFAOYSA-N -1 3 369.368 3.351 20 0 FGADHM O=C1Nc2c(ccc(Cl)c2Cl)C1=N[N-]c1ccc([N+](=O)[O-])cn1 ZINC000043983066 695799825 /nfs/dbraw/zinc/79/98/25/695799825.db2.gz ILZJJJAEHZSJAP-UHFFFAOYSA-N -1 3 352.137 3.065 20 0 FGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)c2ccccc2)ccc1F ZINC000046112818 695832916 /nfs/dbraw/zinc/83/29/16/695832916.db2.gz AZKLDZRYYBBNLO-ZDUSSCGKSA-N -1 3 364.442 3.003 20 0 FGADHM O=S(=O)([N-]c1ccc(Cn2cccn2)cc1)c1ccc2c(c1)CCC2 ZINC000047211412 695853694 /nfs/dbraw/zinc/85/36/94/695853694.db2.gz SVAYQCNSLZPXJB-UHFFFAOYSA-N -1 3 353.447 3.221 20 0 FGADHM O=C(CCCOc1ccc(Cl)cc1)N[N-]C(=O)c1ccccc1F ZINC000048185238 695874305 /nfs/dbraw/zinc/87/43/05/695874305.db2.gz RZZMGKIIWMONFK-UHFFFAOYSA-N -1 3 350.777 3.099 20 0 FGADHM Cc1sc2[n-]c([C@H](C)OC(=O)[C@@H](C)OCC(C)C)nc(=O)c2c1C ZINC000051493194 695912341 /nfs/dbraw/zinc/91/23/41/695912341.db2.gz RNZXZCOUBVBBHN-WDEREUQCSA-N -1 3 352.456 3.267 20 0 FGADHM C[C@@H]1CCCCCN1C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000074659809 700197047 /nfs/dbraw/zinc/19/70/47/700197047.db2.gz AWEFSRGGSDNAOE-CYBMUJFWSA-N -1 3 370.490 3.307 20 0 FGADHM CCc1cnc([N-]C(=O)c2sccc2S(=O)(=O)C(F)F)s1 ZINC000081231999 700330362 /nfs/dbraw/zinc/33/03/62/700330362.db2.gz GKGWAOADTYKOOS-UHFFFAOYSA-N -1 3 352.409 3.016 20 0 FGADHM COC(=O)N(C)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC000105591342 700502404 /nfs/dbraw/zinc/50/24/04/700502404.db2.gz IHDPZVAMMODHDR-UHFFFAOYSA-N -1 3 352.387 3.138 20 0 FGADHM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(N(C)C)c(C)c2)cc1 ZINC000109425165 700534904 /nfs/dbraw/zinc/53/49/04/700534904.db2.gz RXSUTLXFSDSSCT-UHFFFAOYSA-N -1 3 361.467 3.210 20 0 FGADHM Cc1ccc(C(=O)NC[C@@H](O)c2ccc(OC(F)(F)F)cc2)c([O-])c1 ZINC000109535071 700535525 /nfs/dbraw/zinc/53/55/25/700535525.db2.gz RXTGHQAMFQCVBG-OAHLLOKOSA-N -1 3 355.312 3.063 20 0 FGADHM O=C(N[C@@H]1CCSc2ccc(F)cc21)c1nnc2ccccc2c1[O-] ZINC000109935017 700537742 /nfs/dbraw/zinc/53/77/42/700537742.db2.gz ZFFLETBNSUVMSB-CYBMUJFWSA-N -1 3 355.394 3.029 20 0 FGADHM CSc1cccc(NC(=O)COC(=O)c2cc(-c3ccco3)[n-]n2)c1 ZINC000115646955 700587291 /nfs/dbraw/zinc/58/72/91/700587291.db2.gz ZGDAQNOOJPLWDI-UHFFFAOYSA-N -1 3 357.391 3.187 20 0 FGADHM CSc1cccc(NC(=O)COC(=O)c2cc(-c3ccco3)n[n-]2)c1 ZINC000115646955 700587295 /nfs/dbraw/zinc/58/72/95/700587295.db2.gz ZGDAQNOOJPLWDI-UHFFFAOYSA-N -1 3 357.391 3.187 20 0 FGADHM O=S(=O)([N-]C[C@@H](O)c1ccccc1Cl)c1cccc(Cl)c1F ZINC000120932480 700662681 /nfs/dbraw/zinc/66/26/81/700662681.db2.gz DNUZWJGBSBZYMH-GFCCVEGCSA-N -1 3 364.225 3.144 20 0 FGADHM O=C(CCc1cccc(Br)c1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000121586914 700675892 /nfs/dbraw/zinc/67/58/92/700675892.db2.gz VSLFUELGAGZFSB-UHFFFAOYSA-N -1 3 372.226 3.201 20 0 FGADHM O=C(CCc1cccc(Br)c1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000121586914 700675893 /nfs/dbraw/zinc/67/58/93/700675893.db2.gz VSLFUELGAGZFSB-UHFFFAOYSA-N -1 3 372.226 3.201 20 0 FGADHM Cc1noc(C)c1[C@@H](C)NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000124846256 700725990 /nfs/dbraw/zinc/72/59/90/700725990.db2.gz CKUATMPLUIKSKZ-MRVPVSSYSA-N -1 3 368.231 3.320 20 0 FGADHM CN(C)CCN(Cc1cccc(F)c1)C(=O)c1c([O-])cc(F)cc1F ZINC000125806722 700740319 /nfs/dbraw/zinc/74/03/19/700740319.db2.gz HIISOLYVHXQOGH-UHFFFAOYSA-N -1 3 352.356 3.014 20 0 FGADHM Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)nc1 ZINC000128069824 700770319 /nfs/dbraw/zinc/77/03/19/700770319.db2.gz OVECVOPDAGQPDZ-UHFFFAOYSA-N -1 3 373.356 3.033 20 0 FGADHM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)nc2)c(Br)n1 ZINC000135242142 704840984 /nfs/dbraw/zinc/84/09/84/704840984.db2.gz TVFYRVZJWIXLCF-UHFFFAOYSA-N -1 3 362.636 3.002 20 0 FGADHM Cc1nc(Cl)ccc1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000151395928 704922161 /nfs/dbraw/zinc/92/21/61/704922161.db2.gz KGBSZBQTECEJCQ-UHFFFAOYSA-N -1 3 355.619 3.442 20 0 FGADHM O=C([N-]CCCSc1nnc(C2CC2)n1-c1ccccc1)C(F)(F)F ZINC000151740403 704935971 /nfs/dbraw/zinc/93/59/71/704935971.db2.gz VOAVAROIJQHFCD-UHFFFAOYSA-N -1 3 370.400 3.305 20 0 FGADHM O=C(CCCNC(=O)NC1CCCCC1)Nc1ccc(Cl)cc1[O-] ZINC000153461046 705000150 /nfs/dbraw/zinc/00/01/50/705000150.db2.gz CEAZMPAAWPJETL-UHFFFAOYSA-N -1 3 353.850 3.396 20 0 FGADHM O=C(Nc1ccc(Cl)cc1[O-])[C@@H](c1cccc(F)c1)N1CCOCC1 ZINC000153713037 705009613 /nfs/dbraw/zinc/00/96/13/705009613.db2.gz NPPVJSULZFEVBE-QGZVFWFLSA-N -1 3 364.804 3.197 20 0 FGADHM O=C(Cc1ccsc1)N[N-]C(=O)c1ccc(Cl)cc1Br ZINC000155892428 705094362 /nfs/dbraw/zinc/09/43/62/705094362.db2.gz SIXZOEWSKCDSAJ-UHFFFAOYSA-N -1 3 373.659 3.168 20 0 FGADHM CSC(C)(C)C[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000156478940 705118103 /nfs/dbraw/zinc/11/81/03/705118103.db2.gz VVCAUXDCQMKTKE-UHFFFAOYSA-N -1 3 356.282 3.008 20 0 FGADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(F)ccc2Cl)cc1C ZINC000157762970 705163277 /nfs/dbraw/zinc/16/32/77/705163277.db2.gz DJNYZMJMDGAUQB-UHFFFAOYSA-N -1 3 357.790 3.375 20 0 FGADHM Cc1cc(S(=O)(=O)[N-][C@H](C)C[C@H](O)c2cccs2)c(F)cc1F ZINC000158173689 705175845 /nfs/dbraw/zinc/17/58/45/705175845.db2.gz RDOCURUEURKDCE-MFKMUULPSA-N -1 3 361.435 3.125 20 0 FGADHM O=S(=O)([N-]C[C@@H](O)c1ccc(F)cc1)c1cccc(Cl)c1Cl ZINC000159075337 705209901 /nfs/dbraw/zinc/20/99/01/705209901.db2.gz HLVZWELIVYHQNH-GFCCVEGCSA-N -1 3 364.225 3.144 20 0 FGADHM C[C@H](N(C)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)C1(C)CC1 ZINC000175635063 705555293 /nfs/dbraw/zinc/55/52/93/705555293.db2.gz ULNKFMPXGQUOKF-LBPRGKRZSA-N -1 3 370.490 3.163 20 0 FGADHM CCOC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C)c2F)ccc1F ZINC000180015503 705724782 /nfs/dbraw/zinc/72/47/82/705724782.db2.gz SKVMGLXLGGHSPR-UHFFFAOYSA-N -1 3 355.362 3.251 20 0 FGADHM COC(=O)[C@@H](c1cc(F)c(F)c(F)c1)N(C)Cc1cc(F)ccc1[O-] ZINC000180228229 705732807 /nfs/dbraw/zinc/73/28/07/705732807.db2.gz APKYVWFPVZBQRC-MRXNPFEDSA-N -1 3 357.303 3.295 20 0 FGADHM Cc1cc(C)[n-]c(=NNC(=O)N[C@H]2CCCOc3c(Cl)cccc32)n1 ZINC000181372213 705791069 /nfs/dbraw/zinc/79/10/69/705791069.db2.gz YXCZPJTVPMQSPM-AWEZNQCLSA-N -1 3 361.833 3.287 20 0 FGADHM CN(OCc1ccccc1)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000181676896 705804503 /nfs/dbraw/zinc/80/45/03/705804503.db2.gz VTCCXXIEXBUUAS-UHFFFAOYSA-N -1 3 365.227 3.428 20 0 FGADHM CCO[C@H]1C[C@@H](Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)C1(CC)CC ZINC000182735593 705859368 /nfs/dbraw/zinc/85/93/68/705859368.db2.gz YNWOHKBSRTYQJJ-SJORKVTESA-N -1 3 370.515 3.462 20 0 FGADHM O=C(NNc1ccc(Br)cc1Cl)c1ccc(O)cc1[O-] ZINC000182881581 705866762 /nfs/dbraw/zinc/86/67/62/705866762.db2.gz SSBKEALMJQUXCT-UHFFFAOYSA-N -1 3 357.591 3.271 20 0 FGADHM CCC[C@H]1CCCCN1C(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000183908874 705910051 /nfs/dbraw/zinc/91/00/51/705910051.db2.gz BPOSKVANCYIVTG-HNNXBMFYSA-N -1 3 368.474 3.061 20 0 FGADHM O=C(Nc1ccc(Cl)cc1OC(F)F)c1nnc2ccccc2c1[O-] ZINC000183982752 705912622 /nfs/dbraw/zinc/91/26/22/705912622.db2.gz LFWTXXNLESYEAN-UHFFFAOYSA-N -1 3 365.723 3.430 20 0 FGADHM O=S1(=O)CCCN1c1cccc(C/N=C/c2cc(Cl)ccc2[O-])c1 ZINC000184831723 712676749 /nfs/dbraw/zinc/67/67/49/712676749.db2.gz INLNVNRXYONNNV-XDHOZWIPSA-N -1 3 364.854 3.205 20 0 FGADHM Cc1cnc([C@@H](C)C[N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)s1 ZINC000186733282 712725734 /nfs/dbraw/zinc/72/57/34/712725734.db2.gz AQUBCMRNGXIUNA-ZETCQYMHSA-N -1 3 366.295 3.235 20 0 FGADHM CSc1ccccc1S(=O)(=O)[N-]c1cccnc1Br ZINC000187008064 712730677 /nfs/dbraw/zinc/73/06/77/712730677.db2.gz JIKMGCCPRLLDEV-UHFFFAOYSA-N -1 3 359.270 3.367 20 0 FGADHM CC[C@H]1[C@H](C)CCN1C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000187473190 712743591 /nfs/dbraw/zinc/74/35/91/712743591.db2.gz 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C[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Br)C1CC1 ZINC000302435015 713783304 /nfs/dbraw/zinc/78/33/04/713783304.db2.gz MECSJXRMFUKABG-QMMMGPOBSA-N -1 3 352.681 3.427 20 0 FGADHM C[C@H]1CN(Cc2ccccc2)CCN(c2ncc(C(=O)[O-])cc2Cl)C1 ZINC000323441937 713814481 /nfs/dbraw/zinc/81/44/81/713814481.db2.gz ZIBTVJXWHVVLQD-AWEZNQCLSA-N -1 3 359.857 3.392 20 0 FGADHM C[N-]S(=O)(=O)c1cc(-c2nc(-c3cccc(C(F)F)c3)no2)c(C)o1 ZINC000350940196 713852741 /nfs/dbraw/zinc/85/27/41/713852741.db2.gz LZNIGYVHMCVQAU-UHFFFAOYSA-N -1 3 369.349 3.151 20 0 FGADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCO[C@H](c2ccc(Cl)s2)C1 ZINC000374081798 713898677 /nfs/dbraw/zinc/89/86/77/713898677.db2.gz SLEJAYMUWXSEDL-HNNXBMFYSA-N -1 3 374.849 3.457 20 0 FGADHM Cc1cnc(Br)c([N-]S(=O)(=O)c2cc(F)ccc2F)c1 ZINC000380625014 713977189 /nfs/dbraw/zinc/97/71/89/713977189.db2.gz ASDQQOZWHFOHRP-UHFFFAOYSA-N -1 3 363.183 3.232 20 0 FGADHM CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)c1cc2c(cc1[O-])OCO2 ZINC000436527696 714026225 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CCOC(=O)c1ncc(NC(=O)c2cc(Cl)cc(Br)c2)[n-]1 ZINC000619448511 714836875 /nfs/dbraw/zinc/83/68/75/714836875.db2.gz UNMIZFMYEJRLRD-UHFFFAOYSA-N -1 3 372.606 3.255 20 0 FGADHM CCOC(=O)c1nc(NC(=O)c2cc(Cl)cc(Br)c2)c[n-]1 ZINC000619448511 714836876 /nfs/dbraw/zinc/83/68/76/714836876.db2.gz UNMIZFMYEJRLRD-UHFFFAOYSA-N -1 3 372.606 3.255 20 0 FGADHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CC[C@@H]1c1ccc(Br)cc1 ZINC000620335887 714909869 /nfs/dbraw/zinc/90/98/69/714909869.db2.gz OSXXSWQZMHPHNA-CQSZACIVSA-N -1 3 374.238 3.409 20 0 FGADHM O=C(N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621931411 715037928 /nfs/dbraw/zinc/03/79/28/715037928.db2.gz WMMALISTBIVHMW-KFWWJZLASA-N -1 3 355.356 3.489 20 0 FGADHM O=C(N[C@@H]1CCCN(CC(F)(F)F)C1)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622055504 715050216 /nfs/dbraw/zinc/05/02/16/715050216.db2.gz MFXNCMVSMYAHMG-LLVKDONJSA-N -1 3 370.293 3.168 20 0 FGADHM C[C@@H](c1ccccc1)[C@@H](O)CNC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622182451 715059197 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CC[C@H](COCC(F)(F)F)NC(=O)c1cc([O-])cc(Br)c1 ZINC000627568305 716036351 /nfs/dbraw/zinc/03/63/51/716036351.db2.gz QEJUCFYJPGHGNX-SNVBAGLBSA-N -1 3 370.165 3.242 20 0 FGADHM CO[C@H](CS(=O)(=O)[N-]c1cncc2c1CCCC2)c1ccc(F)cc1 ZINC000629352566 716273949 /nfs/dbraw/zinc/27/39/49/716273949.db2.gz ZPDJKZFEAJPGQU-GOSISDBHSA-N -1 3 364.442 3.229 20 0 FGADHM COc1ccc(OCCN2CCC(c3ncc(C(=O)[O-])s3)CC2)cc1 ZINC000629367480 716276592 /nfs/dbraw/zinc/27/65/92/716276592.db2.gz LSCXNZYZMQVBBC-UHFFFAOYSA-N -1 3 362.451 3.108 20 0 FGADHM C[C@H]1CC[C@](CNCc2ncc(Br)cc2F)(CC(=O)[O-])C1 ZINC000630451028 716455656 /nfs/dbraw/zinc/45/56/56/716455656.db2.gz HNWQFRLJSUHMOZ-ZUZCIYMTSA-N -1 3 359.239 3.354 20 0 FGADHM COc1cccc(C[C@@H](NCc2ccsc2Br)C(=O)[O-])c1 ZINC000630453069 716456250 /nfs/dbraw/zinc/45/62/50/716456250.db2.gz HPXDJYSGKGKPHP-CYBMUJFWSA-N -1 3 370.268 3.305 20 0 FGADHM COc1cccc(C[C@H](NCc2ccsc2Br)C(=O)[O-])c1 ZINC000630453070 716456305 /nfs/dbraw/zinc/45/63/05/716456305.db2.gz HPXDJYSGKGKPHP-ZDUSSCGKSA-N -1 3 370.268 3.305 20 0 FGADHM Cc1ccc(-c2nsc([N-]C(=O)c3cncc(N4CCCC4)n3)n2)s1 ZINC000630924448 716532619 /nfs/dbraw/zinc/53/26/19/716532619.db2.gz RPDNOUKLELAWKG-UHFFFAOYSA-N -1 3 372.479 3.218 20 0 FGADHM O=c1[nH]cc(S(=O)(=O)[N-][C@@H](c2ccc(Cl)cc2)C2CCC2)s1 ZINC000631902249 716696411 /nfs/dbraw/zinc/69/64/11/716696411.db2.gz WTIXKDRRARGXKS-CYBMUJFWSA-N -1 3 358.872 3.322 20 0 FGADHM O=c1[nH]cc(S(=O)(=O)[N-]CC2(Sc3ccccc3)CCCC2)s1 ZINC000631935482 716699814 /nfs/dbraw/zinc/69/98/14/716699814.db2.gz IVZKOXZPMFQVKO-UHFFFAOYSA-N -1 3 370.521 3.232 20 0 FGADHM O=c1[nH]cc(S(=O)(=O)[N-][C@@H]2CC[C@@H](c3cccc(Cl)c3)C2)s1 ZINC000632429168 716773804 /nfs/dbraw/zinc/77/38/04/716773804.db2.gz BXFKZMZXFUMYQZ-ZYHUDNBSSA-N -1 3 358.872 3.117 20 0 FGADHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2c[nH]c(=O)s2)C[C@@H](c2ccccc2)C1 ZINC000632456465 716776748 /nfs/dbraw/zinc/77/67/48/716776748.db2.gz FORKBESVJPTBHV-FPMFFAJLSA-N -1 3 352.481 3.099 20 0 FGADHM 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BHWBRAULWLOSRG-UHFFFAOYSA-N -1 3 365.833 3.276 20 0 FGADHM C[C@]1([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)CCO[C@@H]1C1CC1 ZINC000680108951 722072604 /nfs/dbraw/zinc/07/26/04/722072604.db2.gz NIZNLWWOTUNRDN-KGLIPLIRSA-N -1 3 367.364 3.080 20 0 FGADHM COc1cccc(S(=O)(=O)[N-][C@@]2(C(F)(F)F)CCc3ccccc32)c1 ZINC000680625850 722140213 /nfs/dbraw/zinc/14/02/13/722140213.db2.gz YBPGSBNQZBGOPT-INIZCTEOSA-N -1 3 371.380 3.378 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]C[C@H](c2ccnn2C)C(C)C)sc1Cl ZINC000682725066 722262965 /nfs/dbraw/zinc/26/29/65/722262965.db2.gz FCBUNAJQHFSKBV-NSHDSACASA-N -1 3 361.920 3.162 20 0 FGADHM COc1cccc(S(=O)(=O)[N-][C@H](c2ccc(F)cc2)C(F)(F)F)c1 ZINC000682902282 722271026 /nfs/dbraw/zinc/27/10/26/722271026.db2.gz IVEYGELHWYPJFH-CQSZACIVSA-N -1 3 363.332 3.416 20 0 FGADHM CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ncccc1[O-] ZINC000683139341 722282042 /nfs/dbraw/zinc/28/20/42/722282042.db2.gz NBPPGHRYYHHSQP-AWEZNQCLSA-N -1 3 361.829 3.224 20 0 FGADHM CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ncccc1[O-] ZINC000683139344 722282190 /nfs/dbraw/zinc/28/21/90/722282190.db2.gz NBPPGHRYYHHSQP-CQSZACIVSA-N -1 3 361.829 3.224 20 0 FGADHM O=S(=O)([N-]CC1(c2ccccn2)CC1)c1csc(-c2ccccc2)n1 ZINC000683700903 722305880 /nfs/dbraw/zinc/30/58/80/722305880.db2.gz STSRKPVUMHGGBM-UHFFFAOYSA-N -1 3 371.487 3.215 20 0 FGADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc3nccn3c2)cc1Cl ZINC000683935657 722314407 /nfs/dbraw/zinc/31/44/07/722314407.db2.gz WLGQWSSDAMUUOU-UHFFFAOYSA-N -1 3 351.815 3.106 20 0 FGADHM C[C@H](Cc1ccccc1F)[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000725827256 722424155 /nfs/dbraw/zinc/42/41/55/722424155.db2.gz PIRGKMPIJBSLKO-SECBINFHSA-N -1 3 363.241 3.437 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)OCc2ccc(F)cc2Cl)c([O-])c1 ZINC000726205663 722431703 /nfs/dbraw/zinc/43/17/03/722431703.db2.gz NSMXRAOMZDSWOR-UHFFFAOYSA-N -1 3 365.788 3.356 20 0 FGADHM O=S(=O)(/C=C/c1ccccc1Cl)[N-]c1cnn(Cc2ccncc2)c1 ZINC000727358719 722443822 /nfs/dbraw/zinc/44/38/22/722443822.db2.gz FFCCSYRRUMPYDA-JXMROGBWSA-N -1 3 374.853 3.392 20 0 FGADHM COC(=O)C1([N-]S(=O)(=O)/C=C/c2ccccc2Cl)CCCCC1 ZINC000727443392 722444419 /nfs/dbraw/zinc/44/44/19/722444419.db2.gz KZLITTUMXONVHA-FMIVXFBMSA-N -1 3 357.859 3.106 20 0 FGADHM C[C@H]1C[C@@H](CC(=O)OCC(=O)[N-]C(=O)c2cccs2)CC(C)(C)C1 ZINC000727556923 722445482 /nfs/dbraw/zinc/44/54/82/722445482.db2.gz FNEUFKMUIRBLKV-STQMWFEESA-N -1 3 351.468 3.400 20 0 FGADHM CCCCCOC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000728725760 722454113 /nfs/dbraw/zinc/45/41/13/722454113.db2.gz RLALKMBVKGDKLP-UHFFFAOYSA-N -1 3 354.403 3.302 20 0 FGADHM C[C@H]1C[C@@H]1COC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000729091812 722457171 /nfs/dbraw/zinc/45/71/71/722457171.db2.gz XZXIOCBAPDTSAK-GXTWGEPZSA-N -1 3 363.410 3.439 20 0 FGADHM CCN1CCc2ccc([N-]S(=O)(=O)c3ccc4c(c3)C[C@@H](C)O4)cc21 ZINC000729963521 722463705 /nfs/dbraw/zinc/46/37/05/722463705.db2.gz HQYQTAXMDWFAHZ-CYBMUJFWSA-N -1 3 358.463 3.193 20 0 FGADHM CC(=O)Nc1cccc(COC(=O)c2cccc(Br)c2[O-])c1 ZINC000730363539 722467776 /nfs/dbraw/zinc/46/77/76/722467776.db2.gz FGXNMWOGIJHTSN-UHFFFAOYSA-N -1 3 364.195 3.470 20 0 FGADHM COC(=O)[C@H](OC(=O)c1cccc(Br)c1[O-])c1ccccc1 ZINC000730364375 722467804 /nfs/dbraw/zinc/46/78/04/722467804.db2.gz KLHMPKITTFVBRU-CQSZACIVSA-N -1 3 365.179 3.226 20 0 FGADHM CCC[C@@H](C)NC(=O)[C@@H](C)OC(=O)c1cccc(Br)c1[O-] ZINC000730364657 722467853 /nfs/dbraw/zinc/46/78/53/722467853.db2.gz MAKCGBOMKSIUIX-NXEZZACHSA-N -1 3 358.232 3.005 20 0 FGADHM O=C(OCc1cnn(-c2ccccc2)n1)c1cccc(Br)c1[O-] ZINC000730364303 722467869 /nfs/dbraw/zinc/46/78/69/722467869.db2.gz JDEHTMOASDBULA-UHFFFAOYSA-N -1 3 374.194 3.092 20 0 FGADHM CCCCC[C@H](C)NC(=O)COC(=O)c1cccc(Br)c1[O-] ZINC000730367309 722467957 /nfs/dbraw/zinc/46/79/57/722467957.db2.gz IYTYMODIFJOPQI-NSHDSACASA-N -1 3 372.259 3.397 20 0 FGADHM O=C(CCOc1ccccc1)[N-]OCc1ccc(Br)cc1 ZINC000731841334 722478475 /nfs/dbraw/zinc/47/84/75/722478475.db2.gz BNBUTBCHRPMZLN-UHFFFAOYSA-N -1 3 350.212 3.466 20 0 FGADHM C[C@H](OC(=O)c1cncc([O-])c1)C(=O)Nc1cccc(Cl)c1Cl ZINC000731915693 722479306 /nfs/dbraw/zinc/47/93/06/722479306.db2.gz KKMAGOBVMWYCDR-QMMMGPOBSA-N -1 3 355.177 3.278 20 0 FGADHM O=C(NCCc1ccccc1Br)c1nnc2ccccc2c1[O-] ZINC000732280818 722483429 /nfs/dbraw/zinc/48/34/29/722483429.db2.gz QEPJGTZHBISCHJ-UHFFFAOYSA-N -1 3 372.222 3.070 20 0 FGADHM C[C@H](OC(=O)c1cncc([O-])c1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000732393766 722484505 /nfs/dbraw/zinc/48/45/05/722484505.db2.gz SWESZWNWSJVSIK-QMMMGPOBSA-N -1 3 355.177 3.278 20 0 FGADHM Cc1nc(C)c(CCC(=O)N[C@H](C)c2nc3ccccc3s2)c(=O)[n-]1 ZINC000734110380 722504291 /nfs/dbraw/zinc/50/42/91/722504291.db2.gz COBWSDBJZRIONM-LLVKDONJSA-N -1 3 356.451 3.219 20 0 FGADHM COc1ccc(C(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c(Cl)c1 ZINC000737066068 722525950 /nfs/dbraw/zinc/52/59/50/722525950.db2.gz ADMQXRRBUHSXSI-JTQLQIEISA-N -1 3 357.801 3.020 20 0 FGADHM COc1ccc(C(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC000737066068 722525951 /nfs/dbraw/zinc/52/59/51/722525951.db2.gz ADMQXRRBUHSXSI-JTQLQIEISA-N -1 3 357.801 3.020 20 0 FGADHM C[C@H]1CCCC[C@@H]1OCC[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000738354443 722529867 /nfs/dbraw/zinc/52/98/67/722529867.db2.gz OPEVFMDSVMBCFL-GWCFXTLKSA-N -1 3 367.298 3.262 20 0 FGADHM O=S(=O)([N-][C@H]1C[C@@H]1c1cccc(F)c1)c1cnc(Cl)c(Cl)c1 ZINC000738365495 722530004 /nfs/dbraw/zinc/53/00/04/722530004.db2.gz JQZFXGSQCFNSKB-YPMHNXCESA-N -1 3 361.225 3.362 20 0 FGADHM COC(=O)Nc1ccc(CC[N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000738392548 722530268 /nfs/dbraw/zinc/53/02/68/722530268.db2.gz MCRWETDEGDILOT-UHFFFAOYSA-N -1 3 374.871 3.101 20 0 FGADHM C[C@H](NCC1(NC(=O)[O-])CCCCC1)C(=O)Nc1cc(Cl)ccc1F ZINC000739034618 722532252 /nfs/dbraw/zinc/53/22/52/722532252.db2.gz ZIDNEYWUAKXTRQ-NSHDSACASA-N -1 3 371.840 3.366 20 0 FGADHM C[C@@H](C[N-]S(=O)(=O)c1cccc(Cl)c1Cl)CC1(C)OCCO1 ZINC000741158383 722543163 /nfs/dbraw/zinc/54/31/63/722543163.db2.gz QOEUCLVFIZHWPK-SNVBAGLBSA-N -1 3 368.282 3.061 20 0 FGADHM O=C(Nc1ccc(Br)c(F)c1)c1nnc2ccccc2c1[O-] ZINC000742111881 722552192 /nfs/dbraw/zinc/55/21/92/722552192.db2.gz LOSQOSLJZNBKLV-UHFFFAOYSA-N -1 3 362.158 3.489 20 0 FGADHM C[C@H](C[N-]S(=O)(=O)c1cccnc1Cl)Oc1ccccc1Cl ZINC000742325139 722555433 /nfs/dbraw/zinc/55/54/33/722555433.db2.gz CRERWFHKOYQXPP-SNVBAGLBSA-N -1 3 361.250 3.134 20 0 FGADHM Cc1cc(NC(=O)COC(=O)c2cc3ccsc3[n-]2)n(C(C)(C)C)n1 ZINC000744541218 722578189 /nfs/dbraw/zinc/57/81/89/722578189.db2.gz FEUBFFFODMCWJK-UHFFFAOYSA-N -1 3 360.439 3.285 20 0 FGADHM COC(=O)c1cc(S(=O)(=O)[N-]CC(C)(C)C)c(Cl)cc1Cl ZINC000747257920 722640462 /nfs/dbraw/zinc/64/04/62/722640462.db2.gz ZCAQWTNWLYZTQZ-UHFFFAOYSA-N -1 3 354.255 3.104 20 0 FGADHM Cc1[n-]nc(C(F)(F)F)c1C(=O)Oc1ccc(N2CCCC2=O)cc1 ZINC000746584097 722609331 /nfs/dbraw/zinc/60/93/31/722609331.db2.gz YMXUNDNOABIQSB-UHFFFAOYSA-N -1 3 353.300 3.083 20 0 FGADHM COC(=O)/C=C\c1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2F)cc1 ZINC000747595075 722651725 /nfs/dbraw/zinc/65/17/25/722651725.db2.gz HLYFFQXMUWQRIE-WTKPLQERSA-N -1 3 371.336 3.091 20 0 FGADHM CN(C)Cc1ccnc([N-]S(=O)(=O)/C=C/c2ccccc2Cl)c1 ZINC000749010443 722712623 /nfs/dbraw/zinc/71/26/23/722712623.db2.gz NIAGEOPCIPWMPD-CSKARUKUSA-N -1 3 351.859 3.209 20 0 FGADHM CC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)nc1C(=O)OC)C1CCCCC1 ZINC000751063198 722793134 /nfs/dbraw/zinc/79/31/34/722793134.db2.gz IUONXKXAZYRANB-GFCCVEGCSA-N -1 3 374.890 3.159 20 0 FGADHM O=S(=O)([N-]C[C@H](O)c1ccccc1F)c1cc(Cl)ccc1Cl ZINC000751195438 722797748 /nfs/dbraw/zinc/79/77/48/722797748.db2.gz DWLFITALJBVKEX-ZDUSSCGKSA-N -1 3 364.225 3.144 20 0 FGADHM Cc1ccccc1[C@@H](O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000751406911 722804556 /nfs/dbraw/zinc/80/45/56/722804556.db2.gz PMJQJMHVVVIASJ-AWEZNQCLSA-N -1 3 360.262 3.314 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)[C@@H](O)c1cccc(F)c1 ZINC000751485514 722810023 /nfs/dbraw/zinc/81/00/23/722810023.db2.gz HGCXIKSWALXYGK-BJOHPYRUSA-N -1 3 361.797 3.019 20 0 FGADHM CCOc1cc(Cl)ccc1CN/C=C1/C(=O)[N-]C(=O)c2ccccc21 ZINC000751522720 722811406 /nfs/dbraw/zinc/81/14/06/722811406.db2.gz IGROLQDGLUOBEB-LFIBNONCSA-N -1 3 356.809 3.139 20 0 FGADHM O=C(COC(=O)c1ccc(-c2ccccc2)o1)[N-]C(=O)c1cccs1 ZINC000751728560 722823840 /nfs/dbraw/zinc/82/38/40/722823840.db2.gz UTLMQWATCCMHHF-UHFFFAOYSA-N -1 3 355.371 3.122 20 0 FGADHM C[C@H](C1CC1)N(C(=O)COC(=O)c1cc(F)cc(Cl)c1[O-])C1CC1 ZINC000751731668 722824074 /nfs/dbraw/zinc/82/40/74/722824074.db2.gz MIGPZAPTPUTIMA-SECBINFHSA-N -1 3 355.793 3.131 20 0 FGADHM O=C(C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)OC1CCCCC1 ZINC000751978037 722838923 /nfs/dbraw/zinc/83/89/23/722838923.db2.gz REHIXPPCBRAWDG-UHFFFAOYSA-N -1 3 366.266 3.148 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)OC1CCCC1 ZINC000751975813 722838961 /nfs/dbraw/zinc/83/89/61/722838961.db2.gz OYQDSIWLTDDNEW-VIFPVBQESA-N -1 3 366.266 3.146 20 0 FGADHM COc1c(F)cc(Br)cc1S(=O)(=O)[N-]CC1(C)CCC1 ZINC000751985993 722839472 /nfs/dbraw/zinc/83/94/72/722839472.db2.gz KGFGTTFYBZPOOP-UHFFFAOYSA-N -1 3 366.252 3.065 20 0 FGADHM 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O=C(NC[C@](O)(c1ccccc1)C(F)(F)F)c1cc([O-])ccc1Cl ZINC000810315488 725303922 /nfs/dbraw/zinc/30/39/22/725303922.db2.gz DZKIPCHZXLHFDU-HNNXBMFYSA-N -1 3 359.731 3.226 20 0 FGADHM CN(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2cc([O-])ccc2Cl)C1 ZINC000810484435 725310399 /nfs/dbraw/zinc/31/03/99/725310399.db2.gz YBGGEWDHMGIWOU-LLVKDONJSA-N -1 3 354.834 3.127 20 0 FGADHM CCOC(=O)c1c(C)onc1COC(=O)c1cc(F)cc(Cl)c1[O-] ZINC000811137718 725347482 /nfs/dbraw/zinc/34/74/82/725347482.db2.gz FQQIZYLBULRBOW-UHFFFAOYSA-N -1 3 357.721 3.015 20 0 FGADHM O=C(OCc1noc(-c2ccccc2[O-])n1)c1ccoc1C(F)(F)F ZINC000811439923 725364570 /nfs/dbraw/zinc/36/45/70/725364570.db2.gz GRFKMOBWDOWWMH-UHFFFAOYSA-N -1 3 354.240 3.411 20 0 FGADHM Cc1ccc(NC(=S)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)cc1C ZINC000811712241 725377764 /nfs/dbraw/zinc/37/77/64/725377764.db2.gz MMAUNKAJNDMLDA-CYBMUJFWSA-N -1 3 373.444 3.391 20 0 FGADHM CC[C@@H]1CCCC[C@@H]1NC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000811864508 725383412 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COC(=O)c1cc(C(=O)OCc2cn3cc(Cl)cc(Cl)c3n2)c[n-]1 ZINC000814532052 726978674 /nfs/dbraw/zinc/97/86/74/726978674.db2.gz MBRRVMODJHWDRZ-UHFFFAOYSA-N -1 3 368.176 3.113 20 0 FGADHM CC(C)(C)OC(=O)N1CCC(=CC(=O)Nc2cc(F)ccc2[O-])CC1 ZINC000815877467 727103590 /nfs/dbraw/zinc/10/35/90/727103590.db2.gz SAGIYIZCZMNNOG-UHFFFAOYSA-N -1 3 350.390 3.427 20 0 FGADHM CN(C[C@@H]1CCN(Cc2c(F)ccc([O-])c2F)C1)C(=O)OC(C)(C)C ZINC000816504108 727169493 /nfs/dbraw/zinc/16/94/93/727169493.db2.gz ZGNYDQLDFAFPSF-LBPRGKRZSA-N -1 3 356.413 3.359 20 0 FGADHM CC[C@H](C)CO[N-]C(=O)CCc1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000816978703 727212592 /nfs/dbraw/zinc/21/25/92/727212592.db2.gz ZVGDKYHAMUHNJH-NSHDSACASA-N -1 3 363.483 3.302 20 0 FGADHM O=C([N-]C[C@@H]1Cc2ccccc2N1CC[C@H]1CCCCO1)C(F)(F)F ZINC000817290630 727236789 /nfs/dbraw/zinc/23/67/89/727236789.db2.gz ABRMEGBZDWXWON-LSDHHAIUSA-N -1 3 356.388 3.055 20 0 FGADHM CC(C)n1ncc2cc(CN3C[C@@H](C)C[C@H](C(=O)[O-])C3)c(Cl)nc21 ZINC000817881672 727286900 /nfs/dbraw/zinc/28/69/00/727286900.db2.gz MJXRAQDTBVMXDB-FZMZJTMJSA-N -1 3 350.850 3.208 20 0 FGADHM Nc1ccc(C(=O)Nc2cc(Cl)ccc2OC[C@H]2CCCO2)c([O-])c1 ZINC000817923941 727287792 /nfs/dbraw/zinc/28/77/92/727287792.db2.gz ITCXXLXVBQFPTE-CYBMUJFWSA-N -1 3 362.813 3.438 20 0 FGADHM C[C@@H](NC(=O)/C=C/SCc1ccco1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820321010 728984908 /nfs/dbraw/zinc/98/49/08/728984908.db2.gz ATIULPHMWYOJIJ-ZJNQMXKESA-N -1 3 355.423 3.084 20 0 FGADHM C[C@@H](NC(=O)/C=C/SCc1ccco1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820321010 728984910 /nfs/dbraw/zinc/98/49/10/728984910.db2.gz ATIULPHMWYOJIJ-ZJNQMXKESA-N -1 3 355.423 3.084 20 0 FGADHM COc1cc(NCc2cccc(-c3nnn[n-]3)c2)ccc1Br ZINC000821723766 729109162 /nfs/dbraw/zinc/10/91/62/729109162.db2.gz JIKGSSIQTWRDHN-UHFFFAOYSA-N -1 3 360.215 3.250 20 0 FGADHM COc1cc(NCc2cccc(-c3nn[n-]n3)c2)ccc1Br ZINC000821723766 729109165 /nfs/dbraw/zinc/10/91/65/729109165.db2.gz JIKGSSIQTWRDHN-UHFFFAOYSA-N -1 3 360.215 3.250 20 0 FGADHM Cc1cc(C)c(-c2nnn[n-]2)c(SC[C@H](O)c2cccc(Cl)c2)n1 ZINC000822193461 729152965 /nfs/dbraw/zinc/15/29/65/729152965.db2.gz YSEVKXYAUFLNCJ-ZDUSSCGKSA-N -1 3 361.858 3.358 20 0 FGADHM Cc1cc(C)c(-c2nn[n-]n2)c(SC[C@H](O)c2cccc(Cl)c2)n1 ZINC000822193461 729152969 /nfs/dbraw/zinc/15/29/69/729152969.db2.gz YSEVKXYAUFLNCJ-ZDUSSCGKSA-N -1 3 361.858 3.358 20 0 FGADHM FC(F)(F)c1cc(NCc2nnsc2Cl)ccc1-c1nnn[n-]1 ZINC000822724033 729213716 /nfs/dbraw/zinc/21/37/16/729213716.db2.gz WVZYUMRMYCIGHU-UHFFFAOYSA-N -1 3 361.740 3.003 20 0 FGADHM FC(F)(F)c1cc(NCc2nnsc2Cl)ccc1-c1nn[n-]n1 ZINC000822724033 729213718 /nfs/dbraw/zinc/21/37/18/729213718.db2.gz WVZYUMRMYCIGHU-UHFFFAOYSA-N -1 3 361.740 3.003 20 0 FGADHM O=C(CCSc1ccccc1F)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000822974662 729239645 /nfs/dbraw/zinc/23/96/45/729239645.db2.gz XWYXGGVOTZLLSR-UHFFFAOYSA-N -1 3 361.377 3.266 20 0 FGADHM O=C(CCSc1ccccc1F)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000822974662 729239647 /nfs/dbraw/zinc/23/96/47/729239647.db2.gz XWYXGGVOTZLLSR-UHFFFAOYSA-N -1 3 361.377 3.266 20 0 FGADHM CCOc1ccc(Br)c(C(=O)[N-]c2ncn(C(C)C)n2)c1F ZINC000823857210 729309542 /nfs/dbraw/zinc/30/95/42/729309542.db2.gz OFEBKHXPBBVPEN-UHFFFAOYSA-N -1 3 371.210 3.412 20 0 FGADHM CC(C)(C)Sc1cc(C(=O)Nc2ccccc2-c2nnn[n-]2)ccn1 ZINC000824123314 729320296 /nfs/dbraw/zinc/32/02/96/729320296.db2.gz DISZUCYQZSSKQS-UHFFFAOYSA-N -1 3 354.439 3.405 20 0 FGADHM CC(C)(C)Sc1cc(C(=O)Nc2ccccc2-c2nn[n-]n2)ccn1 ZINC000824123314 729320300 /nfs/dbraw/zinc/32/03/00/729320300.db2.gz DISZUCYQZSSKQS-UHFFFAOYSA-N -1 3 354.439 3.405 20 0 FGADHM CC(C)n1ccc(CNc2ccc(Br)cc2-c2nnn[n-]2)n1 ZINC000824371613 729334263 /nfs/dbraw/zinc/33/42/63/729334263.db2.gz LQLBQPBPCYKTQS-UHFFFAOYSA-N -1 3 362.235 3.019 20 0 FGADHM CC(C)n1ccc(CNc2ccc(Br)cc2-c2nn[n-]n2)n1 ZINC000824371613 729334266 /nfs/dbraw/zinc/33/42/66/729334266.db2.gz LQLBQPBPCYKTQS-UHFFFAOYSA-N -1 3 362.235 3.019 20 0 FGADHM CC(C)(C)OC(=O)NCC[C@@H](NCc1c(F)ccc([O-])c1F)C(F)F ZINC000824677168 729354594 /nfs/dbraw/zinc/35/45/94/729354594.db2.gz ANJVEOHRDQMZCZ-LLVKDONJSA-N -1 3 366.355 3.309 20 0 FGADHM C[C@H](SCc1nnc(C2CCC2)n1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000824757650 729357978 /nfs/dbraw/zinc/35/79/78/729357978.db2.gz ZKKDEIAZBVIEGM-NSHDSACASA-N -1 3 355.471 3.257 20 0 FGADHM C[C@H](SCc1nnc(C2CCC2)n1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000824757650 729357980 /nfs/dbraw/zinc/35/79/80/729357980.db2.gz ZKKDEIAZBVIEGM-NSHDSACASA-N -1 3 355.471 3.257 20 0 FGADHM C[C@]1(CNc2ccc(Br)cc2-c2nnn[n-]2)CCCS1 ZINC000824830161 729360688 /nfs/dbraw/zinc/36/06/88/729360688.db2.gz IHTCFPVHESBWBZ-CYBMUJFWSA-N -1 3 354.277 3.327 20 0 FGADHM C[C@]1(CNc2ccc(Br)cc2-c2nn[n-]n2)CCCS1 ZINC000824830161 729360689 /nfs/dbraw/zinc/36/06/89/729360689.db2.gz IHTCFPVHESBWBZ-CYBMUJFWSA-N -1 3 354.277 3.327 20 0 FGADHM Cc1ccc(C(F)(F)F)c(NC(=O)NCc2nc(C(F)(F)F)n[n-]2)c1 ZINC000825436129 729383141 /nfs/dbraw/zinc/38/31/41/729383141.db2.gz OQCRAMBFVYJXHY-UHFFFAOYSA-N -1 3 367.253 3.472 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)CCCOC(C)C ZINC000825605306 729389208 /nfs/dbraw/zinc/38/92/08/729389208.db2.gz UOYBKAFSKQJIBH-UHFFFAOYSA-N -1 3 368.821 3.029 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)CCCOC(C)C ZINC000825605306 729389210 /nfs/dbraw/zinc/38/92/10/729389210.db2.gz UOYBKAFSKQJIBH-UHFFFAOYSA-N -1 3 368.821 3.029 20 0 FGADHM CCOc1cc(Cl)ccc1C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000825616179 729389533 /nfs/dbraw/zinc/38/95/33/729389533.db2.gz YWGSZKARMZKWJK-UHFFFAOYSA-N -1 3 361.764 3.310 20 0 FGADHM CCOc1cc(Cl)ccc1C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000825616179 729389534 /nfs/dbraw/zinc/38/95/34/729389534.db2.gz YWGSZKARMZKWJK-UHFFFAOYSA-N -1 3 361.764 3.310 20 0 FGADHM COc1cccc2ncnc(Oc3ccc(-c4nnn[n-]4)cc3Cl)c21 ZINC000826218190 729406002 /nfs/dbraw/zinc/40/60/02/729406002.db2.gz SHCDGZMTYJAJHD-UHFFFAOYSA-N -1 3 354.757 3.264 20 0 FGADHM COc1cccc2ncnc(Oc3ccc(-c4nn[n-]n4)cc3Cl)c21 ZINC000826218190 729406003 /nfs/dbraw/zinc/40/60/03/729406003.db2.gz SHCDGZMTYJAJHD-UHFFFAOYSA-N 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/nfs/dbraw/zinc/40/74/00/729407400.db2.gz SUPADWWWLRIRPM-UHFFFAOYSA-N -1 3 357.830 3.379 20 0 FGADHM Clc1ccc(-n2ccc(NCc3ccsc3)n2)c(-c2nn[n-]n2)c1 ZINC000826351613 729407401 /nfs/dbraw/zinc/40/74/01/729407401.db2.gz SUPADWWWLRIRPM-UHFFFAOYSA-N -1 3 357.830 3.379 20 0 FGADHM Clc1ccc(-n2ccc(NCc3cccs3)n2)c(-c2nnn[n-]2)c1 ZINC000826351443 729407489 /nfs/dbraw/zinc/40/74/89/729407489.db2.gz MWVOYDNVZYWCMH-UHFFFAOYSA-N -1 3 357.830 3.379 20 0 FGADHM Clc1ccc(-n2ccc(NCc3cccs3)n2)c(-c2nn[n-]n2)c1 ZINC000826351443 729407490 /nfs/dbraw/zinc/40/74/90/729407490.db2.gz MWVOYDNVZYWCMH-UHFFFAOYSA-N -1 3 357.830 3.379 20 0 FGADHM O=C(CCCc1ccc([O-])c(F)c1)NC[C@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000830699354 729583967 /nfs/dbraw/zinc/58/39/67/729583967.db2.gz BBYWWVNEHVTHMR-DOMZBBRYSA-N -1 3 363.351 3.470 20 0 FGADHM CC(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000831250188 729628188 /nfs/dbraw/zinc/62/81/88/729628188.db2.gz SJTLNENHNGRODE-ZDUSSCGKSA-N -1 3 372.849 3.302 20 0 FGADHM O=C(CC1(CCC(=O)NOC2CCC2)CCCCC1)[N-]OC1CCC1 ZINC000832332206 729705602 /nfs/dbraw/zinc/70/56/02/729705602.db2.gz GJKMBSUZZSNUQT-UHFFFAOYSA-N -1 3 352.475 3.308 20 0 FGADHM CCO[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000832712442 729728348 /nfs/dbraw/zinc/72/83/48/729728348.db2.gz FLMCTZKCVUSAMI-VXGBXAGGSA-N -1 3 353.271 3.014 20 0 FGADHM Cc1nc(NC([O-])=NOC(C)(C)CO)sc1Cc1ccc(F)cc1 ZINC000836622846 729962991 /nfs/dbraw/zinc/96/29/91/729962991.db2.gz XWKFVUGWOBUWDX-UHFFFAOYSA-N -1 3 353.419 3.005 20 0 FGADHM Cc1nc(NC(=O)[N-]OC(C)(C)CO)sc1Cc1ccc(F)cc1 ZINC000836622846 729962992 /nfs/dbraw/zinc/96/29/92/729962992.db2.gz XWKFVUGWOBUWDX-UHFFFAOYSA-N -1 3 353.419 3.005 20 0 FGADHM O=C(C=Cc1ccc(Br)o1)OCc1cc(=O)[n-]c(C2CC2)n1 ZINC000837341397 730019221 /nfs/dbraw/zinc/01/92/21/730019221.db2.gz JGIUSBPVMBNICD-GQCTYLIASA-N -1 3 365.183 3.172 20 0 FGADHM O=C(OCc1sccc1Cl)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000837424675 730028042 /nfs/dbraw/zinc/02/80/42/730028042.db2.gz CWJGDYGEDCQRKR-ZDUSSCGKSA-N -1 3 365.838 3.455 20 0 FGADHM CC[C@](O)(C(=O)OCc1cc(=O)[n-]c(C2CC2)n1)c1cccc(Cl)c1 ZINC000837702987 730055767 /nfs/dbraw/zinc/05/57/67/730055767.db2.gz AVQMRVDJQDYCMS-GOSISDBHSA-N -1 3 362.813 3.054 20 0 FGADHM O=C(OCc1cc(=O)[n-]c(C2CC2)n1)c1cc(C(F)(F)F)cc(Cl)n1 ZINC000837733612 730058469 /nfs/dbraw/zinc/05/84/69/730058469.db2.gz IVQUOVUTPZXWQE-UHFFFAOYSA-N -1 3 373.718 3.484 20 0 FGADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3cn(C)nc3Cl)nc(=O)c2c1C ZINC000837768515 730062079 /nfs/dbraw/zinc/06/20/79/730062079.db2.gz RDNMVMIXGGZJKI-ZETCQYMHSA-N -1 3 366.830 3.319 20 0 FGADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3cn(C)nc3Cl)nc(=O)c2c1C ZINC000837768509 730062138 /nfs/dbraw/zinc/06/21/38/730062138.db2.gz RDNMVMIXGGZJKI-SSDOTTSWSA-N -1 3 366.830 3.319 20 0 FGADHM C[C@H]1CC(C)(C)CN1C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000840532786 730151816 /nfs/dbraw/zinc/15/18/16/730151816.db2.gz NSSBMVTYYDQUCD-LBPRGKRZSA-N -1 3 370.490 3.163 20 0 FGADHM 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CCC[C@@H](C(=O)NCc1cc(=O)[n-]c(=S)[nH]1)c1cccc(Cl)c1 ZINC000880511737 737182491 /nfs/dbraw/zinc/18/24/91/737182491.db2.gz QUEHRQLTXDCGOM-CYBMUJFWSA-N -1 3 351.859 3.324 20 0 FGADHM Cc1ncnc(N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)c1C ZINC000881819319 737386306 /nfs/dbraw/zinc/38/63/06/737386306.db2.gz NYHSHKMHZIYUCQ-UHFFFAOYSA-N -1 3 360.845 3.308 20 0 FGADHM N=[S@@](=O)(c1ccc(NCc2nc(C(F)(F)F)n[n-]2)cc1)C(F)(F)F ZINC000882205050 737432531 /nfs/dbraw/zinc/43/25/31/737432531.db2.gz BXPOXFFPGILBPR-XMMPIXPASA-N -1 3 373.282 3.361 20 0 FGADHM Cn1ncc2c1nc(SC[C@H]1CCC[C@@H](c3ccccc3)O1)[n-]c2=O ZINC000882260640 737438521 /nfs/dbraw/zinc/43/85/21/737438521.db2.gz JQVHMRCBMQZGSA-HIFRSBDPSA-N -1 3 356.451 3.471 20 0 FGADHM O=C(NCc1cc(=O)[n-]c(=S)[nH]1)Nc1ccccc1OC1CCCC1 ZINC000887666677 739409971 /nfs/dbraw/zinc/40/99/71/739409971.db2.gz ZAMHDHLFYNOESB-UHFFFAOYSA-N -1 3 360.439 3.114 20 0 FGADHM COC(=O)c1cc([N-]C(=O)c2c(F)ccc(SCC3CC3)c2F)on1 ZINC000891278805 739888398 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Cc1cscc1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1[O-] ZINC000976295536 763294959 /nfs/dbraw/zinc/29/49/59/763294959.db2.gz UQXFRSQAOJTNQD-HZPDHXFCSA-N -1 3 358.463 3.233 20 0 FGADHM Cc1cc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ccccc2[O-])cs1 ZINC000976302298 763295729 /nfs/dbraw/zinc/29/57/29/763295729.db2.gz SVKSACLYOXLQQN-HZPDHXFCSA-N -1 3 358.463 3.233 20 0 FGADHM Cc1nc(Cl)cc(N[C@@H]2CCCC[C@H]2NC(=O)c2ccccc2[O-])n1 ZINC001045345545 766527537 /nfs/dbraw/zinc/52/75/37/766527537.db2.gz JOYZMKGEYPOFAR-ZIAGYGMSSA-N -1 3 360.845 3.297 20 0 FGADHM O=C(NC[C@H]1CC[C@@H](Nc2nc(C3CC3)ns2)C1)c1ccccc1[O-] ZINC001047160514 766623512 /nfs/dbraw/zinc/62/35/12/766623512.db2.gz DRJOYDUXWVNEMK-WCQYABFASA-N -1 3 358.467 3.132 20 0 FGADHM CC[C@@H]1[C@@H](NC(=O)c2ccccc2[O-])CCN1c1nc(C(C)C)ns1 ZINC001048522904 766712514 /nfs/dbraw/zinc/71/25/14/766712514.db2.gz XXZRBORMBAFHDP-UONOGXRCSA-N -1 3 360.483 3.154 20 0 FGADHM Cc1ccc([C@@H](C[N-]S(=O)(=O)c2cc(F)ccc2Cl)N(C)C)cc1 ZINC000097549611 209186580 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O=C([O-])c1ccc(OCCN2CCC([C@H]3CCCO3)CC2)c(Cl)c1 ZINC000573733394 505606957 /nfs/dbraw/zinc/60/69/57/505606957.db2.gz HRDSSAZLCBJWLH-MRXNPFEDSA-N -1 3 353.846 3.308 20 0 FGADHM C[C@H](c1ccccc1)[C@@H](O)CN(CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000568067323 505607860 /nfs/dbraw/zinc/60/78/60/505607860.db2.gz ROLNZJFEZNANDH-KUHUBIRLSA-N -1 3 363.404 3.406 20 0 FGADHM Cc1oc(C(=O)[O-])cc1CN1CCC[C@H](c2nc(C(F)(F)F)cn2C)C1 ZINC000576830854 505605212 /nfs/dbraw/zinc/60/52/12/505605212.db2.gz XLTKHGWOWUMBFP-NSHDSACASA-N -1 3 371.359 3.418 20 0 FGADHM C[C@H]1CCN(Cc2nn(-c3ccc(F)cc3)c3c2CCC3)[C@@H](C(=O)[O-])C1 ZINC000568075171 505610657 /nfs/dbraw/zinc/61/06/57/505610657.db2.gz ZVKMNWZBEFOXIQ-ORAYPTAESA-N -1 3 357.429 3.185 20 0 FGADHM CO[C@H]1CCN([C@@H](C(=O)[O-])c2cccc(Br)c2)CC1(C)C ZINC000568109989 505619457 /nfs/dbraw/zinc/61/94/57/505619457.db2.gz CBUHFBCTDKCHFP-UONOGXRCSA-N -1 3 356.260 3.322 20 0 FGADHM COC[C@H](NC(=O)c1c[n-]c2ccccc2c1=O)c1cccc(Cl)c1 ZINC000568123938 505622579 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/nfs/dbraw/zinc/94/73/01/493947301.db2.gz KSVFWIKDQHEZCS-UHFFFAOYSA-N -1 3 359.336 3.184 20 0 FGADHM CC(C)Oc1ccc(C(=O)Nc2n[n-]c(-c3c(F)cccc3F)n2)cn1 ZINC000081731043 493947305 /nfs/dbraw/zinc/94/73/05/493947305.db2.gz KSVFWIKDQHEZCS-UHFFFAOYSA-N -1 3 359.336 3.184 20 0 FGADHM Cc1ccnn1-c1ccc(C(=O)Nc2n[n-]c(-c3ccccc3F)n2)cc1 ZINC000076687025 493949896 /nfs/dbraw/zinc/94/98/96/493949896.db2.gz XOKIMFPNMBNSAA-UHFFFAOYSA-N -1 3 362.368 3.357 20 0 FGADHM Cn1c(NC(=O)c2c[n-]nc2-c2ccccc2)nc2cc(Cl)ccc21 ZINC000069329943 493957605 /nfs/dbraw/zinc/95/76/05/493957605.db2.gz WXDFFMMMBUFWFS-UHFFFAOYSA-N -1 3 351.797 3.291 20 0 FGADHM O=S(=O)([N-]c1ccc(Br)cc1F)c1ccc2c(c1)CCO2 ZINC000069447021 493971938 /nfs/dbraw/zinc/97/19/38/493971938.db2.gz BOEUTTUDIWZQKH-UHFFFAOYSA-N -1 3 372.215 3.324 20 0 FGADHM O=C(c1cc(Cl)c2ccccc2c1[O-])N1CCC(c2nc[nH]n2)CC1 ZINC000082978606 493983143 /nfs/dbraw/zinc/98/31/43/493983143.db2.gz ZLKAXGDINHQPOP-UHFFFAOYSA-N -1 3 356.813 3.337 20 0 FGADHM Cc1ccoc1C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000076921453 493988594 /nfs/dbraw/zinc/98/85/94/493988594.db2.gz DKMAQVKMYWQSDT-UHFFFAOYSA-N -1 3 354.403 3.056 20 0 FGADHM Cc1ccnc2nc(C(=O)[N-]c3nc(-c4cccc(Cl)c4)cs3)nn21 ZINC000032577908 493997303 /nfs/dbraw/zinc/99/73/03/493997303.db2.gz FOCMKNQPLPISPF-UHFFFAOYSA-N -1 3 370.825 3.462 20 0 FGADHM CCN(Cc1cccc([N-]S(=O)(=O)c2ccc(F)cc2C)c1)C(C)=O ZINC000032599359 493999567 /nfs/dbraw/zinc/99/95/67/493999567.db2.gz DAIVBIKKSNNBMB-UHFFFAOYSA-N -1 3 364.442 3.303 20 0 FGADHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1Cl ZINC000007428343 494022224 /nfs/dbraw/zinc/02/22/24/494022224.db2.gz HFTKOMVLIKRVLL-UHFFFAOYSA-N -1 3 369.826 3.311 20 0 FGADHM CCc1cccc(S(=O)(=O)[N-]c2ccc(N3CCN(C)CC3)cc2C)c1 ZINC000083577308 494024328 /nfs/dbraw/zinc/02/43/28/494024328.db2.gz ZGAKQBVCUNCFNK-UHFFFAOYSA-N -1 3 373.522 3.110 20 0 FGADHM CCOCC(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000063304994 494042545 /nfs/dbraw/zinc/04/25/45/494042545.db2.gz ZMCYVHIFMWHILI-UHFFFAOYSA-N -1 3 362.451 3.079 20 0 FGADHM Cc1csc2[n-]c(CC(=O)Nc3ccc(F)c(Cl)c3)nc(=O)c12 ZINC000077251478 494043398 /nfs/dbraw/zinc/04/33/98/494043398.db2.gz WPFSIBZVYKZSRH-UHFFFAOYSA-N -1 3 351.790 3.267 20 0 FGADHM COc1cc(CN[C@@H]2COc3ccccc32)cc(Br)c1[O-] ZINC000070528434 494045689 /nfs/dbraw/zinc/04/56/89/494045689.db2.gz KWCFJCBGURZGNO-CYBMUJFWSA-N -1 3 350.212 3.387 20 0 FGADHM CC(C)c1cc(C(=O)[N-]c2nc(CN3C[C@@H](C)O[C@@H](C)C3)cs2)on1 ZINC000070764725 494054824 /nfs/dbraw/zinc/05/48/24/494054824.db2.gz LRQHSHLQOFLUHB-TXEJJXNPSA-N -1 3 364.471 3.116 20 0 FGADHM Cc1sc([N-]C(=O)c2nc3nccc(C)n3n2)nc1-c1ccc(F)cc1 ZINC000007967343 494055609 /nfs/dbraw/zinc/05/56/09/494055609.db2.gz LNRUQPVIPQXLDP-UHFFFAOYSA-N -1 3 368.397 3.256 20 0 FGADHM CCC[C@@H]([N-]S(=O)(=O)c1ccc(CNC(C)=O)s1)C1CCCCC1 ZINC000077390685 494074377 /nfs/dbraw/zinc/07/43/77/494074377.db2.gz RGFBFGFMYIZFJY-MRXNPFEDSA-N -1 3 372.556 3.412 20 0 FGADHM O=S(=O)([N-]CCCOc1ccc(F)cc1)c1ccc(F)cc1Cl ZINC000063766537 494085319 /nfs/dbraw/zinc/08/53/19/494085319.db2.gz RWSIRSGHKOXLDQ-UHFFFAOYSA-N -1 3 361.797 3.366 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2CCN(c3ccccc3)C2)c(F)cc1F ZINC000084661854 494090883 /nfs/dbraw/zinc/09/08/83/494090883.db2.gz BYLFYHPZKRKKIH-AWEZNQCLSA-N -1 3 366.433 3.078 20 0 FGADHM Cc1ccc2ncc(C(=O)[O-])c(N3CCN([C@H](C)C(F)(F)F)CC3)c2c1 ZINC000577282777 505699505 /nfs/dbraw/zinc/69/95/05/505699505.db2.gz XAGHPBBOHFHACY-GFCCVEGCSA-N -1 3 367.371 3.314 20 0 FGADHM Cc1nc2ccccc2n1CC(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000064342038 494115171 /nfs/dbraw/zinc/11/51/71/494115171.db2.gz ASSYFVLYXFTUEU-UHFFFAOYSA-N -1 3 373.416 3.042 20 0 FGADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cc4ccccc4oc3=O)cc2)n1 ZINC000064374476 494118256 /nfs/dbraw/zinc/11/82/56/494118256.db2.gz YSKHKUXXPGDUTC-UHFFFAOYSA-N -1 3 373.368 3.104 20 0 FGADHM CC(C)(C)C(=O)NCCCC(=O)Nc1cc(Br)ccc1[O-] ZINC000085590731 494132586 /nfs/dbraw/zinc/13/25/86/494132586.db2.gz UWIJURTYGCTQLB-UHFFFAOYSA-N -1 3 357.248 3.036 20 0 FGADHM CN(Cc1ccc(Br)o1)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000053486816 494138690 /nfs/dbraw/zinc/13/86/90/494138690.db2.gz OYVVOTXJHUSBLY-UHFFFAOYSA-N -1 3 361.195 3.156 20 0 FGADHM O=S(=O)([N-]c1cccc(Br)c1)c1ccc2c(c1)CCO2 ZINC000041231859 494152921 /nfs/dbraw/zinc/15/29/21/494152921.db2.gz YNFFGCGUYQIGSG-UHFFFAOYSA-N -1 3 354.225 3.185 20 0 FGADHM CC[C@H](C)CN(C)C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000077724938 494158759 /nfs/dbraw/zinc/15/87/59/494158759.db2.gz QDJOTHLELBPVFY-LBPRGKRZSA-N -1 3 373.494 3.412 20 0 FGADHM O=S(=O)([N-]c1cccc(COCC2CC2)c1)c1ccc2c(c1)CCO2 ZINC000064938309 494159924 /nfs/dbraw/zinc/15/99/24/494159924.db2.gz AFMHPHPDYKKEES-UHFFFAOYSA-N -1 3 359.447 3.349 20 0 FGADHM CC(C)[C@@]1(C(=O)[O-])CCN(Cc2nn(-c3ccc(F)cc3)c3c2CCC3)C1 ZINC000580205711 505703311 /nfs/dbraw/zinc/70/33/11/505703311.db2.gz DAUDLPUJDBBTLJ-OAQYLSRUSA-N -1 3 371.456 3.433 20 0 FGADHM CN(CC[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)Cc1ccccc1 ZINC000064958337 494161214 /nfs/dbraw/zinc/16/12/14/494161214.db2.gz 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494183882 /nfs/dbraw/zinc/18/38/82/494183882.db2.gz PLLIXCMBRJMJPM-UHFFFAOYSA-N -1 3 361.445 3.289 20 0 FGADHM O=C(c1c[n-]c2ccccc2c1=O)N1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000042027205 494195455 /nfs/dbraw/zinc/19/54/55/494195455.db2.gz JMJMQXSBFWACHO-UHFFFAOYSA-N -1 3 370.412 3.334 20 0 FGADHM O=C(Nc1ccc2c(c1)CC(=O)N2)c1c[n-]nc1-c1cccc(Cl)c1 ZINC000087363345 494196902 /nfs/dbraw/zinc/19/69/02/494196902.db2.gz HDUBYMQZSYDFFD-UHFFFAOYSA-N -1 3 352.781 3.477 20 0 FGADHM CCOC(=O)c1c(C(C)C)csc1[N-]C(=O)C(=O)N(C)C[C@H](C)CC ZINC000072619060 494218230 /nfs/dbraw/zinc/21/82/30/494218230.db2.gz PAPSRTJCFPSHBH-GFCCVEGCSA-N -1 3 368.499 3.491 20 0 FGADHM Cc1ccc(NC(=O)CN(C)C(=O)c2cc3c(cc2[O-])CCCC3)cc1 ZINC000065618017 494220478 /nfs/dbraw/zinc/22/04/78/494220478.db2.gz KXHUCFPNYCVKCR-UHFFFAOYSA-N -1 3 352.434 3.290 20 0 FGADHM Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000065799394 494239250 /nfs/dbraw/zinc/23/92/50/494239250.db2.gz WOABOZCFZLLZFD-HNNXBMFYSA-N -1 3 367.405 3.307 20 0 FGADHM Cn1c2ccccc2nc1[C@@H]1CCCCN1C(=O)c1ccc2n[n-]nc2c1 ZINC000065810862 494241163 /nfs/dbraw/zinc/24/11/63/494241163.db2.gz NPDBTUZBHXBIHH-SFHVURJKSA-N -1 3 360.421 3.212 20 0 FGADHM O=S(=O)([N-][C@H]1CCCC[C@@H]1n1cccn1)c1cccc(Cl)c1F ZINC000072728813 494242670 /nfs/dbraw/zinc/24/26/70/494242670.db2.gz YADHORUJWGFAOX-STQMWFEESA-N -1 3 357.838 3.138 20 0 FGADHM O=S(=O)([N-][C@@H]1CCCC[C@H]1n1cccn1)c1cccc(Cl)c1F ZINC000072728814 494242880 /nfs/dbraw/zinc/24/28/80/494242880.db2.gz YADHORUJWGFAOX-CHWSQXEVSA-N -1 3 357.838 3.138 20 0 FGADHM O=S(=O)([N-]C[C@H](c1ccco1)N1CCCC1)c1cccc(Cl)c1F ZINC000042985823 494255985 /nfs/dbraw/zinc/25/59/85/494255985.db2.gz HMENZFRFZYBJIG-CYBMUJFWSA-N -1 3 372.849 3.188 20 0 FGADHM CCc1noc(CC)c1CNc1ccc(-c2nc(CC)cc(=O)[n-]2)cn1 ZINC000088742070 494257861 /nfs/dbraw/zinc/25/78/61/494257861.db2.gz PBNCALQRHRDLNB-UHFFFAOYSA-N -1 3 353.426 3.119 20 0 FGADHM Cc1ccccc1CN1CCCN(C(=O)c2c([O-])cc(F)cc2F)CC1 ZINC000066045370 494272165 /nfs/dbraw/zinc/27/21/65/494272165.db2.gz RGNGBPXPIXMADT-UHFFFAOYSA-N -1 3 360.404 3.327 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(N3CC[C@@H](Cc4ccccc4)C3)nc2)n1 ZINC000078335058 494281247 /nfs/dbraw/zinc/28/12/47/494281247.db2.gz GEKJCPYYARKDDH-KRWDZBQOSA-N -1 3 360.461 3.463 20 0 FGADHM COc1cccc(C(=O)NCCCc2cn(-c3ccccc3)nc2C)c1[O-] ZINC000078354598 494285989 /nfs/dbraw/zinc/28/59/89/494285989.db2.gz SKYZCCUSZJDKEM-UHFFFAOYSA-N -1 3 365.433 3.258 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@H](C)Oc3cccc(F)c3)nc2)n1 ZINC000078457300 494299408 /nfs/dbraw/zinc/29/94/08/494299408.db2.gz GSPCIRKZSCAXFN-ZDUSSCGKSA-N -1 3 368.412 3.413 20 0 FGADHM O=c1cc(CN2CC3(CCOCC3)[C@H]2c2ccccc2)nc(C2CC2)[n-]1 ZINC000577360879 505712288 /nfs/dbraw/zinc/71/22/88/505712288.db2.gz AGDLLBLFWPGIHS-LJQANCHMSA-N -1 3 351.450 3.413 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC(c3ccc(O)cc3)CC2)c1 ZINC000055183503 494310987 /nfs/dbraw/zinc/31/09/87/494310987.db2.gz FVDBLNNPQDXESX-UHFFFAOYSA-N -1 3 354.406 3.076 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)NCc2csc(Br)c2)c1 ZINC000055249807 494318199 /nfs/dbraw/zinc/31/81/99/494318199.db2.gz DVRLXCOIDKJMMF-UHFFFAOYSA-N -1 3 369.240 3.105 20 0 FGADHM C[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)CN1CCCC1 ZINC000055265337 494320143 /nfs/dbraw/zinc/32/01/43/494320143.db2.gz YFCGVGLZFCNCKV-NSHDSACASA-N -1 3 351.299 3.004 20 0 FGADHM Cc1cccc(C(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)c1[O-] ZINC000078572797 494321802 /nfs/dbraw/zinc/32/18/02/494321802.db2.gz PGOAOZQDVUDENM-UHFFFAOYSA-N -1 3 352.434 3.257 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)NCCOc2ccc(C(C)C)cc2)c1 ZINC000055281698 494321895 /nfs/dbraw/zinc/32/18/95/494321895.db2.gz GPBAKQHCJXTLEN-UHFFFAOYSA-N -1 3 356.422 3.283 20 0 FGADHM CCCC(=O)Nc1cccc(CNC(=O)c2cc(NC(C)=O)ccc2[O-])c1 ZINC000055280487 494322090 /nfs/dbraw/zinc/32/20/90/494322090.db2.gz XTKOCYUIOCXDSR-UHFFFAOYSA-N -1 3 369.421 3.019 20 0 FGADHM Cc1ccccc1C[C@H](C)[N-]S(=O)(=O)c1cncc(Br)c1 ZINC000044244238 494344553 /nfs/dbraw/zinc/34/45/53/494344553.db2.gz 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Cc1ccc([O-])c(C(=O)N(C)[C@H]2CCN(c3ccccc3Cl)C2=O)c1 ZINC000109967202 494934977 /nfs/dbraw/zinc/93/49/77/494934977.db2.gz MYFBELPHVGVFIE-INIZCTEOSA-N -1 3 358.825 3.232 20 0 FGADHM CCc1cccc(C(=O)NCCc2nc(-c3ccccn3)cs2)c1[O-] ZINC000094125125 494952566 /nfs/dbraw/zinc/95/25/66/494952566.db2.gz URDZYGFLKHNFEW-UHFFFAOYSA-N -1 3 353.447 3.446 20 0 FGADHM O=C(CNC(=O)c1cc(Cc2ccccc2)ccc1[O-])Nc1ccccc1 ZINC000110231491 494959747 /nfs/dbraw/zinc/95/97/47/494959747.db2.gz KOCLQAVRGWRCSM-UHFFFAOYSA-N -1 3 360.413 3.352 20 0 FGADHM Cc1cc(=NC(=O)N=c2[nH][n-]c(-c3ccccc3)c2C)[nH]n1[C@@H](C)C1CC1 ZINC000580405562 505752055 /nfs/dbraw/zinc/75/20/55/505752055.db2.gz MZOBEOWFTRFGDT-AWEZNQCLSA-N -1 3 364.453 3.349 20 0 FGADHM COc1cccc2c1CC[C@H]2[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000133064869 494962963 /nfs/dbraw/zinc/96/29/63/494962963.db2.gz PUMWMVQCJDEBAZ-CQSZACIVSA-N -1 3 355.818 3.454 20 0 FGADHM CC(=O)CCc1ccc(O[C@@H](C)C(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000133117481 494972325 /nfs/dbraw/zinc/97/23/25/494972325.db2.gz INPJHPOLNXRFIF-AWEZNQCLSA-N -1 3 359.397 3.137 20 0 FGADHM COc1cccc(C2([N-]S(=O)(=O)c3cc(F)c(F)cc3F)CC2)c1 ZINC000127632523 494973175 /nfs/dbraw/zinc/97/31/75/494973175.db2.gz GCTNYMPEAKSESV-UHFFFAOYSA-N -1 3 357.353 3.080 20 0 FGADHM O=C(COc1ccc(Oc2ccccn2)cc1)NCc1ccc([O-])c(F)c1 ZINC000133208918 494984737 /nfs/dbraw/zinc/98/47/37/494984737.db2.gz CAAMITBRHKGVMR-UHFFFAOYSA-N -1 3 368.364 3.414 20 0 FGADHM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-][C@H](C)[C@H](C)c1ccccc1 ZINC000133241710 494989540 /nfs/dbraw/zinc/98/95/40/494989540.db2.gz FUCJMDWMHWCYKN-QWHCGFSZSA-N -1 3 365.426 3.083 20 0 FGADHM C[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000127754241 494992812 /nfs/dbraw/zinc/99/28/12/494992812.db2.gz WFIAIGKFVZBSJY-YESZJQIVSA-N -1 3 372.509 3.465 20 0 FGADHM COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)c1ccc(C)cc1[O-] ZINC000127831446 495005370 /nfs/dbraw/zinc/00/53/70/495005370.db2.gz IQLUXOVWLQAMQH-UHFFFAOYSA-N -1 3 362.813 3.073 20 0 FGADHM CCOc1ccc(CNC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)cc1F ZINC000133377225 495007308 /nfs/dbraw/zinc/00/73/08/495007308.db2.gz YJIYWELYPNYLJP-UHFFFAOYSA-N -1 3 372.371 3.443 20 0 FGADHM CCCN(CCO)Cc1nc(=O)c2sc(-c3ccc(OC)cc3)cc2[n-]1 ZINC000096993680 495018536 /nfs/dbraw/zinc/01/85/36/495018536.db2.gz LPTRZLURKNETSY-UHFFFAOYSA-N -1 3 373.478 3.277 20 0 FGADHM CN(C)c1c(Cl)cccc1[N-]S(=O)(=O)CCOc1ccc(F)cc1 ZINC000097591263 495038148 /nfs/dbraw/zinc/03/81/48/495038148.db2.gz FQCRAAFGCKMWDC-UHFFFAOYSA-N -1 3 372.849 3.366 20 0 FGADHM Cc1nc([C@](C)([N-]S(=O)(=O)c2ccc(CC(C)C)cc2)C2CC2)no1 ZINC000574385764 505761317 /nfs/dbraw/zinc/76/13/17/505761317.db2.gz KTTFZLCJCQGJOB-GOSISDBHSA-N -1 3 363.483 3.180 20 0 FGADHM Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000133734498 495053287 /nfs/dbraw/zinc/05/32/87/495053287.db2.gz BTBZSBOADOQKKB-INIZCTEOSA-N -1 3 368.412 3.293 20 0 FGADHM Cc1cc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)c(C)cc1Br ZINC000133742456 495055244 /nfs/dbraw/zinc/05/52/44/495055244.db2.gz WBOFAZDHVDMYRB-UHFFFAOYSA-N -1 3 363.137 3.455 20 0 FGADHM Cc1cc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)c(C)cc1Br ZINC000133742456 495055245 /nfs/dbraw/zinc/05/52/45/495055245.db2.gz WBOFAZDHVDMYRB-UHFFFAOYSA-N -1 3 363.137 3.455 20 0 FGADHM O=C(Cc1cccc(I)c1)Nc1cc(F)ccc1[O-] ZINC000133744860 495055672 /nfs/dbraw/zinc/05/56/72/495055672.db2.gz ALSPPRBDNVEGRC-UHFFFAOYSA-N -1 3 371.149 3.317 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H]2CC(=O)c2cccs2)c1 ZINC000123109430 495081409 /nfs/dbraw/zinc/08/14/09/495081409.db2.gz LOYCVOVBNFVAIP-CQSZACIVSA-N -1 3 372.446 3.290 20 0 FGADHM O=C(Cc1cccc(I)c1)Nc1cccc([O-])c1F ZINC000128336337 495081851 /nfs/dbraw/zinc/08/18/51/495081851.db2.gz QHTVLJJILPRCHG-UHFFFAOYSA-N -1 3 371.149 3.317 20 0 FGADHM CCCc1ccccc1NC(=O)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000101742758 495095276 /nfs/dbraw/zinc/09/52/76/495095276.db2.gz SYVXYUMQTDXPNN-UHFFFAOYSA-N -1 3 367.449 3.335 20 0 FGADHM CC[C@H](C[N-]S(=O)(=O)c1sccc1OC)Oc1ccccc1F ZINC000123228617 495099409 /nfs/dbraw/zinc/09/94/09/495099409.db2.gz FNPMBBVSQQACMD-LLVKDONJSA-N -1 3 359.444 3.032 20 0 FGADHM Cc1nc(C)c(CC(=O)N[C@@H](c2ccc(F)cc2F)C(C)(C)C)c(=O)[n-]1 ZINC000119129876 495100135 /nfs/dbraw/zinc/10/01/35/495100135.db2.gz OMVDKAWNOAHEHW-KRWDZBQOSA-N -1 3 363.408 3.111 20 0 FGADHM CCC(=O)c1ccc(OCCCCc2nc(-c3cc(=O)[n-]cn3)no2)cc1 ZINC000571560198 505761236 /nfs/dbraw/zinc/76/12/36/505761236.db2.gz FLWMVOUQRMUBBG-UHFFFAOYSA-N -1 3 368.393 3.227 20 0 FGADHM CO[C@@H](C)c1noc(CCC(=O)Nc2ccc([O-])c(C(F)(F)F)c2)n1 ZINC000134108374 495107169 /nfs/dbraw/zinc/10/71/69/495107169.db2.gz VATGMKXTIDPNIN-QMMMGPOBSA-N -1 3 359.304 3.073 20 0 FGADHM Cc1ccc([C@H]2CCCN2C(=O)c2cnc3c(cnn3C)c2[O-])cc1C ZINC000119181268 495111668 /nfs/dbraw/zinc/11/16/68/495111668.db2.gz UHRSHOAZVGNNMU-QGZVFWFLSA-N -1 3 350.422 3.268 20 0 FGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)C[C@@H]1CCOc2ccccc21 ZINC000134282607 495129945 /nfs/dbraw/zinc/12/99/45/495129945.db2.gz HXKXQPWHLSQUEX-LBPRGKRZSA-N -1 3 358.394 3.309 20 0 FGADHM Cn1ccnc1-c1cc(NC(=O)CSc2nccc3ccccc32)n[n-]1 ZINC000119349701 495148101 /nfs/dbraw/zinc/14/81/01/495148101.db2.gz PAZAOXTYQSXJLV-UHFFFAOYSA-N -1 3 364.434 3.089 20 0 FGADHM Cn1ccnc1-c1cc(NC(=O)CSc2nccc3ccccc32)[n-]n1 ZINC000119349701 495148104 /nfs/dbraw/zinc/14/81/04/495148104.db2.gz PAZAOXTYQSXJLV-UHFFFAOYSA-N -1 3 364.434 3.089 20 0 FGADHM CC(C)CCOc1ccc(C(=O)Nc2cc(-c3nccn3C)[n-]n2)cc1 ZINC000119423446 495164062 /nfs/dbraw/zinc/16/40/62/495164062.db2.gz XDWXYNFTRWPSAF-UHFFFAOYSA-N -1 3 353.426 3.487 20 0 FGADHM CC(C)CCOc1ccc(C(=O)Nc2cc(-c3nccn3C)n[n-]2)cc1 ZINC000119423446 495164064 /nfs/dbraw/zinc/16/40/64/495164064.db2.gz XDWXYNFTRWPSAF-UHFFFAOYSA-N -1 3 353.426 3.487 20 0 FGADHM C[C@@H](SCC(=O)Nc1ccc(F)cc1)C(=O)Nc1ccc([O-])cc1F ZINC000119450620 495170498 /nfs/dbraw/zinc/17/04/98/495170498.db2.gz IFJAIIKXSIWSTQ-SNVBAGLBSA-N -1 3 366.389 3.369 20 0 FGADHM CC(C)(C(=O)NCCCNC(=O)c1cccc([O-])c1)c1ccc(Cl)cc1 ZINC000129116974 495197709 /nfs/dbraw/zinc/19/77/09/495197709.db2.gz BOFVFVZFHCPBQJ-UHFFFAOYSA-N -1 3 374.868 3.260 20 0 FGADHM Cn1ccnc1-c1cc(NC(=O)CCCOc2ccc3c(c2)CCC3)n[n-]1 ZINC000119603277 495199521 /nfs/dbraw/zinc/19/95/21/495199521.db2.gz POXGNVVDJRXBOB-UHFFFAOYSA-N -1 3 365.437 3.097 20 0 FGADHM Cn1ccnc1-c1cc(NC(=O)CCCOc2ccc3c(c2)CCC3)[n-]n1 ZINC000119603277 495199531 /nfs/dbraw/zinc/19/95/31/495199531.db2.gz POXGNVVDJRXBOB-UHFFFAOYSA-N -1 3 365.437 3.097 20 0 FGADHM O=S(=O)([N-]Cc1ccc(F)cc1)c1ccc(F)cc1C(F)(F)F ZINC000103151940 495199600 /nfs/dbraw/zinc/19/96/00/495199600.db2.gz SXIJODRXLBGYEU-UHFFFAOYSA-N -1 3 351.296 3.462 20 0 FGADHM Cc1ccc(NC(=O)[C@@H]2CCCN2c2ncnc3sccc32)c([O-])c1 ZINC000103186224 495202739 /nfs/dbraw/zinc/20/27/39/495202739.db2.gz NAFGMDJIPGJJMR-AWEZNQCLSA-N -1 3 354.435 3.313 20 0 FGADHM CC(C)[C@H](CC(=O)NCCCNC(=O)c1cccc([O-])c1)c1ccccc1 ZINC000103193448 495203622 /nfs/dbraw/zinc/20/36/22/495203622.db2.gz NSVDJGMBSOPWDH-FQEVSTJZSA-N -1 3 368.477 3.458 20 0 FGADHM CC(C)[C@@H](CC(=O)NCCCNC(=O)c1cccc([O-])c1)c1ccccc1 ZINC000103193447 495203846 /nfs/dbraw/zinc/20/38/46/495203846.db2.gz NSVDJGMBSOPWDH-HXUWFJFHSA-N -1 3 368.477 3.458 20 0 FGADHM CS(=O)(=O)[N-]c1cc(C(=O)N2CCCCc3ccccc32)ccc1F ZINC000103259249 495210181 /nfs/dbraw/zinc/21/01/81/495210181.db2.gz IKCHOOJOIGYDKC-UHFFFAOYSA-N -1 3 362.426 3.180 20 0 FGADHM Cc1cnc([C@H](C)[N-]S(=O)(=O)c2ccccc2Br)s1 ZINC000134939538 495227397 /nfs/dbraw/zinc/22/73/97/495227397.db2.gz WOWRPMFDJXMKRE-VIFPVBQESA-N -1 3 361.286 3.254 20 0 FGADHM CC(C)c1cccc(O[C@H](C)C(=O)Nc2cc(-c3nccn3C)[n-]n2)c1 ZINC000119742130 495231759 /nfs/dbraw/zinc/23/17/59/495231759.db2.gz QIILRLHTDJLCEF-CYBMUJFWSA-N -1 3 353.426 3.340 20 0 FGADHM CC(C)c1cccc(O[C@H](C)C(=O)Nc2cc(-c3nccn3C)n[n-]2)c1 ZINC000119742130 495231762 /nfs/dbraw/zinc/23/17/62/495231762.db2.gz QIILRLHTDJLCEF-CYBMUJFWSA-N -1 3 353.426 3.340 20 0 FGADHM CN(Cc1nc(=O)c2c(-c3ccccc3)csc2[n-]1)C[C@H]1CCCO1 ZINC000103480808 495241482 /nfs/dbraw/zinc/24/14/82/495241482.db2.gz XOKVPGFXCAADBX-CQSZACIVSA-N -1 3 355.463 3.262 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CCCc3ccccn3)c2)n1 ZINC000112793026 495241667 /nfs/dbraw/zinc/24/16/67/495241667.db2.gz YCIVAUFVPNECFH-UHFFFAOYSA-N -1 3 362.433 3.356 20 0 FGADHM CN1CCN(Cc2cccc(C(=O)Nc3cc(Cl)ccc3[O-])c2)CC1 ZINC000129443085 495245891 /nfs/dbraw/zinc/24/58/91/495245891.db2.gz SBVJKIYJVIOPCE-UHFFFAOYSA-N -1 3 359.857 3.045 20 0 FGADHM CC[C@H](CC(=O)N1CCN(C(=O)c2cccc([O-])c2)CC1)c1ccccc1 ZINC000103521392 495246095 /nfs/dbraw/zinc/24/60/95/495246095.db2.gz OCRVPMLGIUXRMX-QGZVFWFLSA-N -1 3 366.461 3.261 20 0 FGADHM CC(=O)N[C@H](C)C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000129476479 495251281 /nfs/dbraw/zinc/25/12/81/495251281.db2.gz YWESOFZRJSHYMD-SNVBAGLBSA-N -1 3 355.419 3.132 20 0 FGADHM CC(=O)N(C)CC(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000129492558 495252903 /nfs/dbraw/zinc/25/29/03/495252903.db2.gz VMIQKIPXADLHRO-UHFFFAOYSA-N -1 3 355.419 3.086 20 0 FGADHM 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HHWBWSYIWSBWMT-SECBINFHSA-N -1 3 368.784 3.152 20 0 FGADHM C[C@@H](NC(=O)c1cccc2[n-]nnc21)c1noc(-c2ccc(Cl)cc2)n1 ZINC000182796153 495706040 /nfs/dbraw/zinc/70/60/40/495706040.db2.gz HHWBWSYIWSBWMT-SECBINFHSA-N -1 3 368.784 3.152 20 0 FGADHM C[C@@H](NC(=O)c1cccc2n[n-]nc21)c1noc(-c2ccc(Cl)cc2)n1 ZINC000182796153 495706041 /nfs/dbraw/zinc/70/60/41/495706041.db2.gz HHWBWSYIWSBWMT-SECBINFHSA-N -1 3 368.784 3.152 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)c3ccc4ncsc4c3)[n-]c21 ZINC000179774748 495730219 /nfs/dbraw/zinc/73/02/19/495730219.db2.gz TXSYVLVYHQXQJJ-UHFFFAOYSA-N -1 3 352.375 3.212 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccc4ncsc4c3)nc21 ZINC000179774748 495730225 /nfs/dbraw/zinc/73/02/25/495730225.db2.gz TXSYVLVYHQXQJJ-UHFFFAOYSA-N -1 3 352.375 3.212 20 0 FGADHM C[C@]1(CNC(=O)c2cc(F)c([O-])c(F)c2)CCCN1Cc1ccccc1 ZINC000154834635 495742773 /nfs/dbraw/zinc/74/27/73/495742773.db2.gz VGYWEDLZYABVCN-HXUWFJFHSA-N -1 3 360.404 3.455 20 0 FGADHM CN(C[C@@H]1CCC[C@H]1O)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000154842082 495744963 /nfs/dbraw/zinc/74/49/63/495744963.db2.gz YETCRMACDHCTJT-AZUAARDMSA-N -1 3 353.462 3.410 20 0 FGADHM CC(C)c1ccc(-n2cc([O-])c(C(=O)N3CCCC[C@@H]3CN(C)C)n2)cc1 ZINC000176695053 495750361 /nfs/dbraw/zinc/75/03/61/495750361.db2.gz NFAXNUUUOVTTHC-GOSISDBHSA-N -1 3 370.497 3.258 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N(C)C[C@@H](C)c3nccs3)c[n-]c12 ZINC000182925027 495758774 /nfs/dbraw/zinc/75/87/74/495758774.db2.gz IAQGNMCHFUJVMI-LLVKDONJSA-N -1 3 359.426 3.308 20 0 FGADHM COc1ccc2c(c1)[n-]cc(C(=O)N(C)C[C@@H](C)c1nccs1)c2=O ZINC000182924129 495758918 /nfs/dbraw/zinc/75/89/18/495758918.db2.gz GZLZYIJQEVEPOV-LLVKDONJSA-N -1 3 357.435 3.281 20 0 FGADHM Cc1c(C(=O)Nc2nc(C(F)(F)F)n[n-]2)cnn1-c1cc(C)ccc1C ZINC000154889826 495762240 /nfs/dbraw/zinc/76/22/40/495762240.db2.gz CGSJIYRVHMRVDW-UHFFFAOYSA-N -1 3 364.331 3.187 20 0 FGADHM Cc1c(C(=O)Nc2nnc(C(F)(F)F)[n-]2)cnn1-c1cc(C)ccc1C ZINC000154889826 495762244 /nfs/dbraw/zinc/76/22/44/495762244.db2.gz CGSJIYRVHMRVDW-UHFFFAOYSA-N -1 3 364.331 3.187 20 0 FGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)COc2ccc(C)c(C)c2)c1 ZINC000173975273 495771477 /nfs/dbraw/zinc/77/14/77/495771477.db2.gz SVXFBFJOULQHEF-UHFFFAOYSA-N -1 3 362.451 3.001 20 0 FGADHM CCS[C@H](C(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1)C(C)C ZINC000151264806 495787677 /nfs/dbraw/zinc/78/76/77/495787677.db2.gz FMRRUWGSDJGYAB-KRWDZBQOSA-N -1 3 364.511 3.347 20 0 FGADHM CCc1cc(=O)[n-]c(CN[C@H](C)c2cnn(-c3ccc(F)cc3)c2C)n1 ZINC000183002096 495793587 /nfs/dbraw/zinc/79/35/87/495793587.db2.gz QLVNWKOZHUJYJA-GFCCVEGCSA-N -1 3 355.417 3.229 20 0 FGADHM COc1cccc([C@@H]2[C@@H](NC(=O)c3cccc([O-])c3)CCN2C2CC2)c1 ZINC000183003939 495794388 /nfs/dbraw/zinc/79/43/88/495794388.db2.gz GVVDNAZKOQRLNB-VQTJNVASSA-N -1 3 352.434 3.109 20 0 FGADHM Cc1nc(C)c(S(=O)(=O)[N-][C@H]2CCSc3c(F)cccc32)s1 ZINC000176833099 495803819 /nfs/dbraw/zinc/80/38/19/495803819.db2.gz CYKJRAFGMPDVQG-LBPRGKRZSA-N -1 3 358.485 3.414 20 0 FGADHM C[C@@H]1[C@H]([N-]S(=O)(=O)c2ccc(Cl)s2)CCN1Cc1ccccc1 ZINC000568910170 505806277 /nfs/dbraw/zinc/80/62/77/505806277.db2.gz ZWTAUKCNDOSVHV-TZMCWYRMSA-N -1 3 370.927 3.343 20 0 FGADHM CCC1(CC)CN(C(=O)c2c[n-]c3c(C)cc(C)cc3c2=O)CC[S@@]1=O ZINC000186055483 495839217 /nfs/dbraw/zinc/83/92/17/495839217.db2.gz XJSGBAWKQAIWFM-SANMLTNESA-N -1 3 374.506 3.321 20 0 FGADHM COCCOc1cccc(C=Cc2nc(-c3ccc4n[n-]nc4c3)no2)c1 ZINC000571755885 505807982 /nfs/dbraw/zinc/80/79/82/505807982.db2.gz FGWQGYXZKZBRFV-YVMONPNESA-N -1 3 363.377 3.204 20 0 FGADHM O=C([N-]c1ncn(Cc2ccc(Cl)cc2)n1)c1cnc2ccccc2n1 ZINC000176962879 495859853 /nfs/dbraw/zinc/85/98/53/495859853.db2.gz ULFNNNQUZDWHHT-UHFFFAOYSA-N -1 3 364.796 3.175 20 0 FGADHM O=C(Nc1ccc(OC(F)F)c(Cl)c1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000171442916 495875718 /nfs/dbraw/zinc/87/57/18/495875718.db2.gz ITCVIUYXXVNMSD-UHFFFAOYSA-N -1 3 366.707 3.077 20 0 FGADHM O=C(NC1CCN(C2CC2)CC1)c1cc(Br)cc(Cl)c1[O-] ZINC000174244837 495880544 /nfs/dbraw/zinc/88/05/44/495880544.db2.gz YDORQGDAYOVRAO-UHFFFAOYSA-N -1 3 373.678 3.165 20 0 FGADHM Cc1nc(C)c(CCC(=O)NC2(Cc3ccccc3)CCCCC2)c(=O)[n-]1 ZINC000186167101 495881226 /nfs/dbraw/zinc/88/12/26/495881226.db2.gz WBOQLGWNTUVAOX-UHFFFAOYSA-N -1 3 367.493 3.381 20 0 FGADHM CC[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000186168612 495881312 /nfs/dbraw/zinc/88/13/12/495881312.db2.gz JKWCZAOJCJMZQB-TZMCWYRMSA-N -1 3 361.891 3.365 20 0 FGADHM CCSCc1cc(C(=O)NCc2ccc([O-])c(Br)c2)no1 ZINC000186179867 495887260 /nfs/dbraw/zinc/88/72/60/495887260.db2.gz LCSJYYXYQUQHLL-UHFFFAOYSA-N -1 3 371.256 3.326 20 0 FGADHM CCC(CC)[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000186183566 495888521 /nfs/dbraw/zinc/88/85/21/495888521.db2.gz DTLAJNMLYYFETE-GFCCVEGCSA-N -1 3 361.891 3.222 20 0 FGADHM CC(=O)c1cccc(NC(=O)c2ccnc(N3CCC[C@H](C)C3)c2)c1[O-] ZINC000571764496 505810293 /nfs/dbraw/zinc/81/02/93/505810293.db2.gz ZHTZKDLSVFECRL-ZDUSSCGKSA-N -1 3 353.422 3.478 20 0 FGADHM CCC(CC)Nc1ccncc1NC(=O)c1cc(F)c(F)c([O-])c1F ZINC000568934249 505810782 /nfs/dbraw/zinc/81/07/82/505810782.db2.gz DLTXMAPTLVSPGG-UHFFFAOYSA-N -1 3 353.344 3.479 20 0 FGADHM CCC(CC)Nc1cc[nH+]cc1[N-]C(=O)c1cc(F)c(F)c([O-])c1F ZINC000568934249 505810784 /nfs/dbraw/zinc/81/07/84/505810784.db2.gz DLTXMAPTLVSPGG-UHFFFAOYSA-N -1 3 353.344 3.479 20 0 FGADHM CCOC(=O)c1cc(NC(=O)CCCOc2ccc(Cl)cc2)n[n-]1 ZINC000183286764 495916459 /nfs/dbraw/zinc/91/64/59/495916459.db2.gz FROSTRHTWOVVCM-UHFFFAOYSA-N -1 3 351.790 3.038 20 0 FGADHM CCOC(=O)c1cc(NC(=O)CCCOc2ccc(Cl)cc2)[n-]n1 ZINC000183286764 495916469 /nfs/dbraw/zinc/91/64/69/495916469.db2.gz FROSTRHTWOVVCM-UHFFFAOYSA-N -1 3 351.790 3.038 20 0 FGADHM CN(Cc1cc([O-])cc(F)c1)[C@H](CO)c1cccc(Br)c1 ZINC000186254213 495916597 /nfs/dbraw/zinc/91/65/97/495916597.db2.gz RATIMCWBONBJEN-MRXNPFEDSA-N -1 3 354.219 3.459 20 0 FGADHM CC(=O)N[C@H](CC(=O)N1CC[C@H](C)c2cccc([O-])c21)c1ccccc1 ZINC000186264787 495919171 /nfs/dbraw/zinc/91/91/71/495919171.db2.gz QGXRNPVIJGMYMQ-KBXCAEBGSA-N -1 3 352.434 3.500 20 0 FGADHM CC(C)n1cnc(S(=O)(=O)[N-]C[C@H](c2ccccc2)C(F)(F)F)c1 ZINC000186267549 495920490 /nfs/dbraw/zinc/92/04/90/495920490.db2.gz WAFMUVRVSHEPNF-CYBMUJFWSA-N -1 3 361.389 3.088 20 0 FGADHM C[C@@H]1CCN(C(=O)c2ccc3c(c2)NC(=O)CCN3C)c2c([O-])cccc21 ZINC000186271673 495922983 /nfs/dbraw/zinc/92/29/83/495922983.db2.gz CHHFTAQSARZKHL-CYBMUJFWSA-N -1 3 365.433 3.325 20 0 FGADHM CCc1cc(=O)[n-]c(CN2CCC[C@@H](c3nc4c(s3)CCCC4)C2)n1 ZINC000155337447 495925191 /nfs/dbraw/zinc/92/51/91/495925191.db2.gz IKHMZVUFLYMBJG-CYBMUJFWSA-N -1 3 358.511 3.460 20 0 FGADHM COc1c(C)cc(C(=O)Nc2cc(C)ccc2[N-]S(C)(=O)=O)cc1C ZINC000180264052 495929051 /nfs/dbraw/zinc/92/90/51/495929051.db2.gz HATMDIDVWIZBBJ-UHFFFAOYSA-N -1 3 362.451 3.244 20 0 FGADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-]Cc1ccccc1 ZINC000183353290 495943555 /nfs/dbraw/zinc/94/35/55/495943555.db2.gz FKGCGVZNHKAGQH-UHFFFAOYSA-N -1 3 374.231 3.075 20 0 FGADHM C[C@H]1CCN(C(=O)c2ccc(-c3ccco3)[nH]c2=O)c2c([O-])cccc21 ZINC000186328411 495950532 /nfs/dbraw/zinc/95/05/32/495950532.db2.gz HPQNCKPYGMRCSQ-LBPRGKRZSA-N -1 3 350.374 3.495 20 0 FGADHM CC[C@@H](CNC(=O)c1c[n-]c2ccccc2c1=O)Oc1ccccc1F ZINC000177179733 495962421 /nfs/dbraw/zinc/96/24/21/495962421.db2.gz XWNLCVRSJWHWKI-ZDUSSCGKSA-N -1 3 354.381 3.255 20 0 FGADHM Cn1cc([C@@H]2CSCCN2Cc2cc([O-])cc(C(F)(F)F)c2)cn1 ZINC000574612368 505814617 /nfs/dbraw/zinc/81/46/17/505814617.db2.gz OENDDIYHMOOHDM-HNNXBMFYSA-N -1 3 357.401 3.435 20 0 FGADHM O=C(NCc1nnc(-c2ccccc2)s1)NCc1ccc([O-])c(F)c1 ZINC000151852780 495969825 /nfs/dbraw/zinc/96/98/25/495969825.db2.gz XOHOQUOQIMBWJV-UHFFFAOYSA-N -1 3 358.398 3.049 20 0 FGADHM COc1cc(C(=O)[N-]c2cc(C(F)(F)F)ccc2-n2cccn2)on1 ZINC000183408759 495969915 /nfs/dbraw/zinc/96/99/15/495969915.db2.gz FOVMMEMZAZSKSP-UHFFFAOYSA-N -1 3 352.272 3.140 20 0 FGADHM Cc1cnc([C@@H]([N-]S(=O)(=O)Cc2noc3ccccc32)C2CC2)s1 ZINC000180416924 495988580 /nfs/dbraw/zinc/98/85/80/495988580.db2.gz KBHOLRKWSMLCOT-HNNXBMFYSA-N -1 3 363.464 3.163 20 0 FGADHM Cc1cnc([C@H]([N-]S(=O)(=O)Cc2noc3ccccc32)C2CC2)s1 ZINC000180416907 495988610 /nfs/dbraw/zinc/98/86/10/495988610.db2.gz KBHOLRKWSMLCOT-OAHLLOKOSA-N -1 3 363.464 3.163 20 0 FGADHM C[C@H]1CCCCN1C(=O)Cc1csc(NC(=O)c2cccc([O-])c2)n1 ZINC000177390671 496042517 /nfs/dbraw/zinc/04/25/17/496042517.db2.gz FHQUNDNDLGSRKZ-LBPRGKRZSA-N -1 3 359.451 3.045 20 0 FGADHM C[C@@H](C(=O)Nc1n[n-]c(-c2ccccc2F)n1)n1cnc2ccccc21 ZINC000171808663 496045621 /nfs/dbraw/zinc/04/56/21/496045621.db2.gz HIDPUTYFYQOSDA-NSHDSACASA-N -1 3 350.357 3.160 20 0 FGADHM COc1ccc(Cl)cc1CN1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000174669180 496054370 /nfs/dbraw/zinc/05/43/70/496054370.db2.gz LZDOQKOQEJDVDR-UHFFFAOYSA-N -1 3 360.841 3.012 20 0 FGADHM Cc1cccc(CS(=O)(=O)[N-]c2ccccc2OCCn2ccnc2)c1 ZINC000186580308 496055870 /nfs/dbraw/zinc/05/58/70/496055870.db2.gz WXFXPFQSMBSWFE-UHFFFAOYSA-N -1 3 371.462 3.212 20 0 FGADHM C[C@H](c1ccccc1)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000177428793 496058374 /nfs/dbraw/zinc/05/83/74/496058374.db2.gz AVODLDHLLSXYQF-BXWFABGCSA-N -1 3 366.461 3.305 20 0 FGADHM CC(C)CN(CCN(C)C)C(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000186657541 496093596 /nfs/dbraw/zinc/09/35/96/496093596.db2.gz LUNXIMWXUXCHFY-UHFFFAOYSA-N -1 3 368.477 3.283 20 0 FGADHM Cc1ccc([O-])c(C(=O)N[C@@H](C)C(=O)Nc2cccc(N3CCCC3)c2)c1 ZINC000155879919 496095452 /nfs/dbraw/zinc/09/54/52/496095452.db2.gz PYEXNFOXHPHGRG-HNNXBMFYSA-N -1 3 367.449 3.058 20 0 FGADHM CCN(C(=O)c1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1)c1cc(C)cc(C)c1 ZINC000177524811 496097150 /nfs/dbraw/zinc/09/71/50/496097150.db2.gz WITXJZCDYWMMRU-OAQYLSRUSA-N -1 3 365.433 3.025 20 0 FGADHM Cc1cc(=O)[n-]c([C@@H](C)Sc2nnc(C3CC3)n2Cc2ccco2)n1 ZINC000155884784 496097571 /nfs/dbraw/zinc/09/75/71/496097571.db2.gz CGJARCBKEZDCIQ-LLVKDONJSA-N -1 3 357.439 3.454 20 0 FGADHM CCc1cccc(C(=O)N[C@H](C)c2noc(Cc3ccccc3)n2)c1[O-] ZINC000152301090 496109480 /nfs/dbraw/zinc/10/94/80/496109480.db2.gz PYJFMSQWCCHVOS-CYBMUJFWSA-N -1 3 351.406 3.419 20 0 FGADHM Cc1cc(F)c(S(=O)(=O)[N-][C@H](C)CC(=O)c2cccs2)cc1F ZINC000152388584 496136428 /nfs/dbraw/zinc/13/64/28/496136428.db2.gz YQNLDNLXRDXHKZ-SNVBAGLBSA-N -1 3 359.419 3.275 20 0 FGADHM O=C(Nc1cccc(C(=O)Nc2cc(F)ccc2[O-])c1)c1cccnc1 ZINC000174878792 496145848 /nfs/dbraw/zinc/14/58/48/496145848.db2.gz RXFGVROYTIEPEK-UHFFFAOYSA-N -1 3 351.337 3.431 20 0 FGADHM O=C(c1c[n-]c2ccccc2c1=O)N(CCCO)Cc1cccc(Cl)c1 ZINC000186777484 496146567 /nfs/dbraw/zinc/14/65/67/496146567.db2.gz ZWDDFHDMXWJPMH-UHFFFAOYSA-N -1 3 370.836 3.206 20 0 FGADHM O=C(Nc1cc(F)ccc1[O-])[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000174900235 496154606 /nfs/dbraw/zinc/15/46/06/496154606.db2.gz VATIDKCZKRCHGZ-CYBMUJFWSA-N -1 3 360.360 3.161 20 0 FGADHM O=S(=O)([N-]C[C@@H](CCO)c1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000177731709 496175683 /nfs/dbraw/zinc/17/56/83/496175683.db2.gz UVRZKQKAFCOWPA-CYBMUJFWSA-N -1 3 374.289 3.438 20 0 FGADHM CCc1ccc(CSc2nc3nc(C)cc(C(=O)OC)c3c(=O)[n-]2)cc1 ZINC000172160328 496190054 /nfs/dbraw/zinc/19/00/54/496190054.db2.gz MKTPKOCVJLGPBH-UHFFFAOYSA-N -1 3 369.446 3.268 20 0 FGADHM CC(C)Cn1cnc(S(=O)(=O)[N-][C@@H](c2ccccc2)c2cccnc2)c1 ZINC000175010690 496206441 /nfs/dbraw/zinc/20/64/41/496206441.db2.gz WHOSDVOGJAOCAW-IBGZPJMESA-N -1 3 370.478 3.002 20 0 FGADHM COCCC1(CNC(=O)NCc2ccc([O-])c(Br)c2)CCC1 ZINC000152636196 496210286 /nfs/dbraw/zinc/21/02/86/496210286.db2.gz LWJPHIMNUCGVIR-UHFFFAOYSA-N -1 3 371.275 3.161 20 0 FGADHM COc1cc(C(=O)N[C@@H](c2nc3ccccc3[nH]2)C(C)C)cc(OC)c1[O-] ZINC000161659045 496216379 /nfs/dbraw/zinc/21/63/79/496216379.db2.gz LJMDEKNWSLCHBO-QGZVFWFLSA-N -1 3 369.421 3.413 20 0 FGADHM CSc1nsc([N-]C(=O)c2cc(C)n(-c3ccc(F)cc3F)n2)n1 ZINC000161769112 496234678 /nfs/dbraw/zinc/23/46/78/496234678.db2.gz ZQCDCFJNPHLGPR-UHFFFAOYSA-N -1 3 367.406 3.285 20 0 FGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)[C@H](C)Oc1ccc(F)c(F)c1 ZINC000181024294 496245343 /nfs/dbraw/zinc/24/53/43/496245343.db2.gz AMVBNMPRAQBVDL-VIFPVBQESA-N -1 3 368.336 3.098 20 0 FGADHM COCCC1(C[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000152772122 496252115 /nfs/dbraw/zinc/25/21/15/496252115.db2.gz SQCAKZADTMJJDJ-UHFFFAOYSA-N -1 3 371.808 3.454 20 0 FGADHM Cc1cccc(Oc2ccc([N-]S(=O)(=O)C[C@@H]3CCCO3)cn2)c1C ZINC000172369882 496271970 /nfs/dbraw/zinc/27/19/70/496271970.db2.gz WYRFMJODJQOVPV-INIZCTEOSA-N -1 3 362.451 3.411 20 0 FGADHM Cc1cc(Cl)cc(NC(=O)[C@H]2CCCN(C(=O)NCC(C)C)C2)c1[O-] ZINC000156577253 496283402 /nfs/dbraw/zinc/28/34/02/496283402.db2.gz FVIMUXQFROAUSZ-ZDUSSCGKSA-N -1 3 367.877 3.370 20 0 FGADHM CCCCOCCC[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000162087035 496293658 /nfs/dbraw/zinc/29/36/58/496293658.db2.gz YBQROOVRIHGSPE-UHFFFAOYSA-N -1 3 368.268 3.073 20 0 FGADHM Cc1nn(C(C)(C)C)cc1[C@@H](C)[N-]S(=O)(=O)c1cc(C)ccc1F ZINC000152966139 496310464 /nfs/dbraw/zinc/31/04/64/496310464.db2.gz VLKUCHJBNUFQBC-CYBMUJFWSA-N -1 3 353.463 3.434 20 0 FGADHM COc1ccc([C@@H](C)CC(=O)Nc2ccccc2[N-]S(C)(=O)=O)cc1 ZINC000175298701 496328708 /nfs/dbraw/zinc/32/87/08/496328708.db2.gz KDAGKJXEFHRWLG-ZDUSSCGKSA-N -1 3 362.451 3.199 20 0 FGADHM O=C(c1ccc([O-])cc1)N1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)CC1 ZINC000156806739 496337770 /nfs/dbraw/zinc/33/77/70/496337770.db2.gz WQQYECQAIXIVJM-BHIYHBOVSA-N -1 3 370.493 3.283 20 0 FGADHM CCOc1ccccc1NC(=O)[C@@H](C)O[N-]C(=O)Cc1ccc(C)cc1 ZINC000178158683 496350722 /nfs/dbraw/zinc/35/07/22/496350722.db2.gz PUZVBCDSOJOQRB-OAHLLOKOSA-N -1 3 356.422 3.011 20 0 FGADHM O=C(NCCc1ccc(Br)cc1)NCc1ccc([O-])c(F)c1 ZINC000172594143 496356429 /nfs/dbraw/zinc/35/64/29/496356429.db2.gz VBKALAPRWVZMLD-UHFFFAOYSA-N -1 3 367.218 3.336 20 0 FGADHM CC(C)[C@@H](C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)c1ccccc1 ZINC000175363846 496357353 /nfs/dbraw/zinc/35/73/53/496357353.db2.gz VNFWGCVDEARHSS-HXUWFJFHSA-N -1 3 366.461 3.116 20 0 FGADHM COCCn1ccc2ccc(NC(=O)c3c[n-]c4ccccc4c3=O)cc21 ZINC000181359010 496365367 /nfs/dbraw/zinc/36/53/67/496365367.db2.gz GNTCTXKHVKLUJE-UHFFFAOYSA-N -1 3 361.401 3.382 20 0 FGADHM COCCn1ccc2ccc(NC(=O)c3cnc4ccccc4c3[O-])cc21 ZINC000181359010 496365375 /nfs/dbraw/zinc/36/53/75/496365375.db2.gz GNTCTXKHVKLUJE-UHFFFAOYSA-N -1 3 361.401 3.382 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)c3coc(-c4ccccc4)n3)[n-]c21 ZINC000162531636 496368328 /nfs/dbraw/zinc/36/83/28/496368328.db2.gz VLQURSDYKISJBR-UHFFFAOYSA-N -1 3 362.345 3.257 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3coc(-c4ccccc4)n3)nc21 ZINC000162531636 496368331 /nfs/dbraw/zinc/36/83/31/496368331.db2.gz VLQURSDYKISJBR-UHFFFAOYSA-N -1 3 362.345 3.257 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2cccc([C@@H]3CCC(=O)N3)c2)c(C)c1C ZINC000571889715 505839909 /nfs/dbraw/zinc/83/99/09/505839909.db2.gz ULKYPXWQLVVZSC-INIZCTEOSA-N -1 3 374.462 3.064 20 0 FGADHM C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)c2cccc3nn[n-]c32)cc1 ZINC000187279926 496374724 /nfs/dbraw/zinc/37/47/24/496374724.db2.gz NXEYPYYBUWNCOS-CYBMUJFWSA-N -1 3 363.421 3.225 20 0 FGADHM C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)c2cccc3[n-]nnc32)cc1 ZINC000187279926 496374728 /nfs/dbraw/zinc/37/47/28/496374728.db2.gz NXEYPYYBUWNCOS-CYBMUJFWSA-N -1 3 363.421 3.225 20 0 FGADHM C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)c2cccc3n[n-]nc32)cc1 ZINC000187279926 496374733 /nfs/dbraw/zinc/37/47/33/496374733.db2.gz NXEYPYYBUWNCOS-CYBMUJFWSA-N -1 3 363.421 3.225 20 0 FGADHM O=S(=O)([N-][C@H]1CCC[C@@H](F)C1)c1cc(F)ccc1Br ZINC000578009088 505840758 /nfs/dbraw/zinc/84/07/58/505840758.db2.gz HKEVGANFZQXDNE-SCZZXKLOSA-N -1 3 354.216 3.147 20 0 FGADHM O=S(=O)([N-][C@H]1CCO[C@@H](C2CC2)C1)c1cc(Cl)cc(Cl)c1 ZINC000162690711 496396960 /nfs/dbraw/zinc/39/69/60/496396960.db2.gz SXTRGODYKQMJRV-GXTWGEPZSA-N -1 3 350.267 3.229 20 0 FGADHM COc1cc(C(=O)N[C@H](c2ccccc2)C(F)(F)F)cc(OC)c1[O-] ZINC000162703528 496400028 /nfs/dbraw/zinc/40/00/28/496400028.db2.gz XAPPUWKQEWNIPD-OAHLLOKOSA-N -1 3 355.312 3.443 20 0 FGADHM COc1ccccc1-c1nc(NC(=O)c2cnn(CCC(C)C)c2C)n[n-]1 ZINC000157113314 496408534 /nfs/dbraw/zinc/40/85/34/496408534.db2.gz VXRLCWIDUXLSSR-UHFFFAOYSA-N -1 3 368.441 3.284 20 0 FGADHM COc1ccc(C[C@@H](C)NC(=O)Cc2ccc([O-])cc2Cl)cc1OC ZINC000178313532 496409638 /nfs/dbraw/zinc/40/96/38/496409638.db2.gz GMNJIGXGSKSTCO-GFCCVEGCSA-N -1 3 363.841 3.353 20 0 FGADHM Cc1ccc(C)c(CC(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)c1 ZINC000178347280 496423178 /nfs/dbraw/zinc/42/31/78/496423178.db2.gz VXGVNYULBWPZKV-UHFFFAOYSA-N -1 3 366.461 3.429 20 0 FGADHM C[C@@H](Oc1cccc(CO)c1)C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000153357066 496429688 /nfs/dbraw/zinc/42/96/88/496429688.db2.gz AQLPHIKAKUGDTO-SNVBAGLBSA-N -1 3 355.312 3.309 20 0 FGADHM Cc1sc2ncc(C(=O)Nc3cc(Cl)cc(C)c3[O-])c(=O)n2c1C ZINC000181538220 496437132 /nfs/dbraw/zinc/43/71/32/496437132.db2.gz DYFRWJYUZNWMNM-UHFFFAOYSA-N -1 3 363.826 3.293 20 0 FGADHM O=C(N[C@H]1CCN(c2ccccc2C(F)(F)F)C1)c1cccc([O-])c1 ZINC000187430558 496437983 /nfs/dbraw/zinc/43/79/83/496437983.db2.gz YSORYFZKYCGAKI-ZDUSSCGKSA-N -1 3 350.340 3.420 20 0 FGADHM COc1ccc([O-])c(C(=O)N2CCN([C@@H](C)c3cccc(F)c3)CC2)c1 ZINC000175556327 496440364 /nfs/dbraw/zinc/44/03/64/496440364.db2.gz MDIMUPYUCIQXRZ-AWEZNQCLSA-N -1 3 358.413 3.059 20 0 FGADHM CS(=O)(=O)[N-]c1cc(NC(=O)[C@@H]2C[C@H]2C2CCCCC2)ccc1F ZINC000172837545 496455497 /nfs/dbraw/zinc/45/54/97/496455497.db2.gz RICIYJKUVUQRFP-UONOGXRCSA-N -1 3 354.447 3.352 20 0 FGADHM O=S(=O)(Cc1ccccc1F)[N-][C@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000181592200 496460298 /nfs/dbraw/zinc/46/02/98/496460298.db2.gz DUEVGYUVPIECDK-IRXDYDNUSA-N -1 3 369.845 3.429 20 0 FGADHM c1nn(-c2ncccn2)c2ncnc([N-]c3nc(-c4ccccc4)cs3)c12 ZINC000163084606 496462081 /nfs/dbraw/zinc/46/20/81/496462081.db2.gz VFGNPVALUODWPC-UHFFFAOYSA-N -1 3 372.417 3.473 20 0 FGADHM O=S(=O)([N-][C@H]1CCO[C@@H]1c1ccc(Cl)cc1)c1ccc(F)c(F)c1 ZINC000181597840 496463102 /nfs/dbraw/zinc/46/31/02/496463102.db2.gz SNNIBMDJVZDNIZ-JKSUJKDBSA-N -1 3 373.808 3.427 20 0 FGADHM CC(C)c1cccc(S(=O)(=O)[N-]c2cc(C(N)=O)ccc2Cl)c1 ZINC000172884171 496475716 /nfs/dbraw/zinc/47/57/16/496475716.db2.gz BHZCTWOPNNLYEN-UHFFFAOYSA-N -1 3 352.843 3.363 20 0 FGADHM C[C@]([N-]C(=O)c1c(F)c(F)cc(F)c1F)(C(N)=O)c1cccc(Cl)c1 ZINC000163168066 496476510 /nfs/dbraw/zinc/47/65/10/496476510.db2.gz DCBWEMCPHLQEEB-MRXNPFEDSA-N -1 3 374.721 3.027 20 0 FGADHM COC(=O)c1ccc([N-]S(=O)(=O)c2cc(C)c(F)c(C)c2)c(F)c1 ZINC000172892953 496479403 /nfs/dbraw/zinc/47/94/03/496479403.db2.gz SUHXLMFAXUAAPX-UHFFFAOYSA-N -1 3 355.362 3.169 20 0 FGADHM CC[C@@H]1CCCC[C@H]1OCC(=O)Nc1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000184660744 496483269 /nfs/dbraw/zinc/48/32/69/496483269.db2.gz GQXHFTIETLXFNQ-MLGOLLRUSA-N -1 3 372.462 3.121 20 0 FGADHM O=C(Nc1ccc(Cl)cc1[O-])[C@H]1CCN(c2ccc(F)c(F)c2)C1=O ZINC000153524769 496485676 /nfs/dbraw/zinc/48/56/76/496485676.db2.gz MPLPIUFKLVZBAF-LLVKDONJSA-N -1 3 366.751 3.315 20 0 FGADHM COc1ccc(N2C[C@H](C(=O)Nc3ccc(Cl)cc3[O-])CC2=O)cc1 ZINC000153531424 496487961 /nfs/dbraw/zinc/48/79/61/496487961.db2.gz AVDYTMAVYRPCFW-LLVKDONJSA-N -1 3 360.797 3.046 20 0 FGADHM O=C([O-])[C@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1cccc(CN2CCCC2)c1 ZINC000187560587 496491252 /nfs/dbraw/zinc/49/12/52/496491252.db2.gz QOVZDPFAXLNZCD-BHIYHBOVSA-N -1 3 356.466 3.140 20 0 FGADHM CC(C)(C)O[C@H](C(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000153594303 496511080 /nfs/dbraw/zinc/51/10/80/496511080.db2.gz BXZMPWVCMGPHCV-KRWDZBQOSA-N -1 3 365.437 3.039 20 0 FGADHM CC(C)(C)O[C@H](C(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000153594303 496511084 /nfs/dbraw/zinc/51/10/84/496511084.db2.gz BXZMPWVCMGPHCV-KRWDZBQOSA-N -1 3 365.437 3.039 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)Cc1ccc(Cl)cc1Cl)C(=O)OC(C)(C)C ZINC000181707106 496511461 /nfs/dbraw/zinc/51/14/61/496511461.db2.gz ZZKVJQDGUIQKDJ-SECBINFHSA-N -1 3 368.282 3.143 20 0 FGADHM O=C(Nc1ccc(Cl)cc1[O-])[C@@H](c1ccccc1F)N1CCOCC1 ZINC000153632128 496525113 /nfs/dbraw/zinc/52/51/13/496525113.db2.gz NDGIPMHNFKRGIH-QGZVFWFLSA-N -1 3 364.804 3.197 20 0 FGADHM CCOC(=O)c1cc(NC(=O)[C@@H](C)c2ccc(Br)s2)n[n-]1 ZINC000181754053 496529573 /nfs/dbraw/zinc/52/95/73/496529573.db2.gz FTIGUEDAUCKWBB-ZETCQYMHSA-N -1 3 372.244 3.153 20 0 FGADHM CCOC(=O)c1cc(NC(=O)[C@@H](C)c2ccc(Br)s2)[n-]n1 ZINC000181754053 496529580 /nfs/dbraw/zinc/52/95/80/496529580.db2.gz FTIGUEDAUCKWBB-ZETCQYMHSA-N -1 3 372.244 3.153 20 0 FGADHM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(OC)cc1Cl)[C@H]1CCCO1 ZINC000157706193 496534373 /nfs/dbraw/zinc/53/43/73/496534373.db2.gz QVBMKSMSNXXBPW-VXGBXAGGSA-N -1 3 368.282 3.238 20 0 FGADHM CSCCCC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000175767855 496537640 /nfs/dbraw/zinc/53/76/40/496537640.db2.gz FGYYWYBSRBNVEH-UHFFFAOYSA-N -1 3 370.902 3.366 20 0 FGADHM COc1cccc(NC2CCN(C(=O)NCc3ccc([O-])c(F)c3)CC2)c1 ZINC000163657913 496542775 /nfs/dbraw/zinc/54/27/75/496542775.db2.gz YGIIDCYATUPUMA-UHFFFAOYSA-N -1 3 373.428 3.326 20 0 FGADHM COc1cc(C(=O)N2C[C@H](C)CN(C)c3ccccc32)cc(OC)c1[O-] ZINC000163655478 496542788 /nfs/dbraw/zinc/54/27/88/496542788.db2.gz SLJGVRNIVNEJKR-CYBMUJFWSA-N -1 3 356.422 3.142 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)N(Cc1ccccc1)C[C@H]1CCCO1 ZINC000163687292 496546827 /nfs/dbraw/zinc/54/68/27/496546827.db2.gz JRDNMNMPJPAJMN-QGZVFWFLSA-N -1 3 358.413 3.422 20 0 FGADHM CCCCCNC(=O)C1CCN(C(=O)Cc2ccc([O-])cc2Cl)CC1 ZINC000163739490 496552212 /nfs/dbraw/zinc/55/22/12/496552212.db2.gz QSWKCWGSGNXZBC-UHFFFAOYSA-N -1 3 366.889 3.133 20 0 FGADHM O=C(Nc1ccccc1[O-])c1nnn(-c2ccc(F)cc2)c1C(F)(F)F ZINC000157835488 496566907 /nfs/dbraw/zinc/56/69/07/496566907.db2.gz IBSVRSZTUDXDQM-UHFFFAOYSA-N -1 3 366.274 3.383 20 0 FGADHM CN(Cc1nc(=O)c2cc(-c3ccccc3)sc2[n-]1)C[C@H]1CCOC1 ZINC000178783597 496569419 /nfs/dbraw/zinc/56/94/19/496569419.db2.gz GARRPBCMYJEBCQ-CYBMUJFWSA-N -1 3 355.463 3.120 20 0 FGADHM O=C(Nc1ccccc1[O-])C1CCN(C(=O)Nc2ccnc(Cl)c2)CC1 ZINC000181848381 496571103 /nfs/dbraw/zinc/57/11/03/496571103.db2.gz UBVRQAXVQNBAJU-UHFFFAOYSA-N -1 3 374.828 3.323 20 0 FGADHM Cc1nn(C)c(C)c1C(=O)C(=O)Nc1cc(Cc2ccccc2)ccc1[O-] ZINC000175847158 496571358 /nfs/dbraw/zinc/57/13/58/496571358.db2.gz OACSTDKKUQYJOX-UHFFFAOYSA-N -1 3 363.417 3.155 20 0 FGADHM C[C@H]1CCCN1C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000173153805 496573098 /nfs/dbraw/zinc/57/30/98/496573098.db2.gz WFKHQRRBSKFPPO-ZDUSSCGKSA-N -1 3 362.426 3.251 20 0 FGADHM COc1cccc([C@@H](C)NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)c1 ZINC000571948269 505853027 /nfs/dbraw/zinc/85/30/27/505853027.db2.gz ZWCQAVRPVMYBLH-GFCCVEGCSA-N -1 3 354.381 3.475 20 0 FGADHM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3C)ccc1OC(C)C ZINC000157909651 496583623 /nfs/dbraw/zinc/58/36/23/496583623.db2.gz GYCLAVZJAFRQRN-UHFFFAOYSA-N -1 3 374.462 3.102 20 0 FGADHM CSc1ccc([C@H](CNC(=O)c2c(F)ccc([O-])c2F)N(C)C)cc1 ZINC000571954374 505854014 /nfs/dbraw/zinc/85/40/14/505854014.db2.gz BQUUNANMLXZZOA-AWEZNQCLSA-N -1 3 366.433 3.425 20 0 FGADHM CC(C)c1ccc(-n2cc([O-])c(C(=O)N3CC[C@@H](N4CCCC4)C3)n2)cc1 ZINC000175920174 496602980 /nfs/dbraw/zinc/60/29/80/496602980.db2.gz XXSPESBDINXXDX-GOSISDBHSA-N -1 3 368.481 3.012 20 0 FGADHM CN1CC[C@@H]([N-]S(=O)(=O)c2cc(F)ccc2Cl)[C@@H]1c1ccccc1 ZINC000178950750 496627279 /nfs/dbraw/zinc/62/72/79/496627279.db2.gz WVJJYKNBOHORDI-WBVHZDCISA-N -1 3 368.861 3.203 20 0 FGADHM C[C@@H](CCNC(=O)c1cc(CCc2ccccc2)ccc1[O-])[S@](C)=O ZINC000158151846 496638520 /nfs/dbraw/zinc/63/85/20/496638520.db2.gz OQEWEJNBBXQKGO-ODCWNRFASA-N -1 3 359.491 3.064 20 0 FGADHM Cc1cccc2c(=O)c(C(=O)N3CCC[C@@H](Cc4nccn4C)C3)c[n-]c12 ZINC000165007807 496643970 /nfs/dbraw/zinc/64/39/70/496643970.db2.gz FGAIZQPRZBJCPX-HNNXBMFYSA-N -1 3 364.449 3.077 20 0 FGADHM Cc1cccc2c(=O)c(C(=O)N3CCC(Cc4nccn4C)CC3)c[n-]c12 ZINC000165177134 496651191 /nfs/dbraw/zinc/65/11/91/496651191.db2.gz YPQFUZGWRPHTHW-UHFFFAOYSA-N -1 3 364.449 3.077 20 0 FGADHM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(O[C@@H]2CCOC2)cc1 ZINC000158252959 496660426 /nfs/dbraw/zinc/66/04/26/496660426.db2.gz MMPCVMDJMRVGOE-MRXNPFEDSA-N -1 3 351.399 3.103 20 0 FGADHM CC[C@@](C)([N-]S(=O)(=O)c1ccc(F)c(F)c1F)c1nc(C)cs1 ZINC000173371327 496662851 /nfs/dbraw/zinc/66/28/51/496662851.db2.gz VQZUBJQNTHGSLI-CQSZACIVSA-N -1 3 364.414 3.473 20 0 FGADHM O=S(=O)([N-]C[C@@H]1CCCC[C@H]1O)c1ccc(Cl)cc1C(F)(F)F ZINC000158339069 496679869 /nfs/dbraw/zinc/67/98/69/496679869.db2.gz IKUMVLRDEUAHRS-JOYOIKCWSA-N -1 3 371.808 3.188 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3nc(C)sc3C)c2)n1 ZINC000179141554 496688096 /nfs/dbraw/zinc/68/80/96/496688096.db2.gz XBCDGGIPDMDCSK-UHFFFAOYSA-N -1 3 354.435 3.325 20 0 FGADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCO[C@]3(CCSC3)C2)sc1Cl ZINC000188118247 496690075 /nfs/dbraw/zinc/69/00/75/496690075.db2.gz IXJWYBYVNSUBDJ-ZWNOBZJWSA-N -1 3 367.945 3.043 20 0 FGADHM COC(=O)c1cc(S(=O)(=O)[N-][C@H](C)c2ccc(Cl)cc2)c(C)o1 ZINC000166911289 496694737 /nfs/dbraw/zinc/69/47/37/496694737.db2.gz UALJJBAABIQJHQ-SECBINFHSA-N -1 3 357.815 3.068 20 0 FGADHM CCc1ccccc1CSc1nc2nc(C)cc(C(=O)OC)c2c(=O)[n-]1 ZINC000188195419 496713936 /nfs/dbraw/zinc/71/39/36/496713936.db2.gz RRVGRXDFAQTMII-UHFFFAOYSA-N -1 3 369.446 3.268 20 0 FGADHM O=C(NCc1cccc(NC(=O)c2cccc([O-])c2)c1)c1cccc(O)c1 ZINC000182279574 496725060 /nfs/dbraw/zinc/72/50/60/496725060.db2.gz JEBFUTBUDTYHGZ-UHFFFAOYSA-N -1 3 362.385 3.280 20 0 FGADHM COc1cc(OC)c(OC)cc1CNC[C@H](Cc1ccccc1C)C(=O)[O-] ZINC000277344967 496743390 /nfs/dbraw/zinc/74/33/90/496743390.db2.gz PBDUMCZCKMZEJW-KRWDZBQOSA-N -1 3 373.449 3.054 20 0 FGADHM Cn1c(CN[C@H](CCc2ccccc2)C(=O)[O-])nc2cc(Cl)ccc21 ZINC000277355124 496746667 /nfs/dbraw/zinc/74/66/67/496746667.db2.gz PNLHJWLWCBDYBB-OAHLLOKOSA-N -1 3 357.841 3.402 20 0 FGADHM CC(C)[C@@H](SCc1ccccc1)C(=O)N1CCc2c(nc[n-]c2=O)C1 ZINC000273238320 496749177 /nfs/dbraw/zinc/74/91/77/496749177.db2.gz NPRGPLICQCDXFH-QGZVFWFLSA-N -1 3 357.479 3.025 20 0 FGADHM COc1cc(OC)c(OC)cc1CN[C@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000277366146 496750226 /nfs/dbraw/zinc/75/02/26/496750226.db2.gz QCHAEIOOXTXSMN-YJYMSZOUSA-N -1 3 359.422 3.264 20 0 FGADHM O=C([N-]c1nnc(-c2ccccn2)s1)c1cccnc1C(F)(F)F ZINC000188359152 496762472 /nfs/dbraw/zinc/76/24/72/496762472.db2.gz KKBZDGKVOOENOB-UHFFFAOYSA-N -1 3 351.313 3.266 20 0 FGADHM COc1ccc(CNC[C@@H](Cc2ccc(C)cc2)C(=O)[O-])c(OC)c1OC ZINC000277423151 496768699 /nfs/dbraw/zinc/76/86/99/496768699.db2.gz SYSHXVYVFMVNGX-QGZVFWFLSA-N -1 3 373.449 3.054 20 0 FGADHM O=C(CNC(=O)c1c[n-]nc1-c1ccc(Cl)s1)Nc1ccccc1 ZINC000188455542 496796079 /nfs/dbraw/zinc/79/60/79/496796079.db2.gz DUMFBDQEWGUKRB-UHFFFAOYSA-N -1 3 360.826 3.160 20 0 FGADHM CSC1(CNC(=O)NCc2ccc([O-])c(Br)c2)CCC1 ZINC000195035857 496798802 /nfs/dbraw/zinc/79/88/02/496798802.db2.gz WFCMZELMJANMJI-UHFFFAOYSA-N -1 3 359.289 3.240 20 0 FGADHM CCc1ccc(C(=O)N2CCC[C@@H](C3N=NC(=S)N3C3CC3)C2)c([O-])c1 ZINC000191569512 496816292 /nfs/dbraw/zinc/81/62/92/496816292.db2.gz CUNOUUXDGYUQKR-CYBMUJFWSA-N -1 3 372.494 3.190 20 0 FGADHM CC(F)(F)CC(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000277583600 496820472 /nfs/dbraw/zinc/82/04/72/496820472.db2.gz ZIGVGCSKEPLBOE-UHFFFAOYSA-N -1 3 360.304 3.061 20 0 FGADHM CCc1ccc(C(=O)Nc2cc(CN3CCOCC3)ccc2C)c([O-])c1 ZINC000191727873 496868901 /nfs/dbraw/zinc/86/89/01/496868901.db2.gz WPTMLWBCEHSXCJ-UHFFFAOYSA-N -1 3 354.450 3.348 20 0 FGADHM CCOC(=O)c1cc(NC(=O)[C@H](C)Oc2ccc(C(F)(F)F)cc2)n[n-]1 ZINC000188713586 496885424 /nfs/dbraw/zinc/88/54/24/496885424.db2.gz ZIFKGKIJIYYSTF-VIFPVBQESA-N -1 3 371.315 3.011 20 0 FGADHM CCOC(=O)c1cc(NC(=O)[C@H](C)Oc2ccc(C(F)(F)F)cc2)[n-]n1 ZINC000188713586 496885431 /nfs/dbraw/zinc/88/54/31/496885431.db2.gz ZIFKGKIJIYYSTF-VIFPVBQESA-N -1 3 371.315 3.011 20 0 FGADHM Cc1cc([C@@H]([N-]S(=O)(=O)C2COC2)c2ccccc2Cl)ccc1F ZINC000574861087 505871774 /nfs/dbraw/zinc/87/17/74/505871774.db2.gz FFWAQCWNZVEDHM-QGZVFWFLSA-N -1 3 369.845 3.195 20 0 FGADHM CCc1ocnc1-c1nc(Cc2nc(=O)c3c(C4CC4)csc3[n-]2)no1 ZINC000273739235 496891278 /nfs/dbraw/zinc/89/12/78/496891278.db2.gz LWDSLAZZVWYUSH-UHFFFAOYSA-N -1 3 369.406 3.466 20 0 FGADHM Cc1c(NC(=O)c2cc([O-])ccc2Cl)cccc1C(=O)N1CCOCC1 ZINC000277829316 496902300 /nfs/dbraw/zinc/90/23/00/496902300.db2.gz XKPSBSWKKVGZBZ-UHFFFAOYSA-N -1 3 374.824 3.079 20 0 FGADHM COc1cc(C(=O)[N-]c2cc(Cl)ccc2OC[C@@H]2CCOC2)on1 ZINC000188786006 496909769 /nfs/dbraw/zinc/90/97/69/496909769.db2.gz YQNMIZSPRLHFEN-SNVBAGLBSA-N -1 3 352.774 3.004 20 0 FGADHM Cc1ccc([N-]C(=O)c2sccc2S(=O)(=O)N2CCCC2)c(F)c1 ZINC000247814641 496918546 /nfs/dbraw/zinc/91/85/46/496918546.db2.gz CCCDHIBMXVOTIS-UHFFFAOYSA-N -1 3 368.455 3.232 20 0 FGADHM Cn1ccnc1Sc1ccc(F)cc1NC(=O)c1ccc2n[n-]nc2c1 ZINC000195451053 496926971 /nfs/dbraw/zinc/92/69/71/496926971.db2.gz FPEWZYKFRURHKC-UHFFFAOYSA-N -1 3 368.397 3.234 20 0 FGADHM C[C@@H]([N-]S(C)(=O)=O)c1nc(-c2ccc(OC3CCCCC3)cc2)no1 ZINC000273845114 496930240 /nfs/dbraw/zinc/93/02/40/496930240.db2.gz KZTHPNBRVZSVLO-GFCCVEGCSA-N -1 3 365.455 3.058 20 0 FGADHM CCCCc1nc(C(=O)OCC)c(NC(=O)c2ccc(F)c(OC)c2)[n-]1 ZINC000191963704 496945939 /nfs/dbraw/zinc/94/59/39/496945939.db2.gz XHHNTGUUDGYAJL-UHFFFAOYSA-N -1 3 363.389 3.329 20 0 FGADHM CCCCc1nc(NC(=O)c2ccc(F)c(OC)c2)c(C(=O)OCC)[n-]1 ZINC000191963704 496945943 /nfs/dbraw/zinc/94/59/43/496945943.db2.gz XHHNTGUUDGYAJL-UHFFFAOYSA-N -1 3 363.389 3.329 20 0 FGADHM O=C(NCC1(c2ccc(C(F)(F)F)cc2)CC1)c1cccc2nn[n-]c21 ZINC000188924368 496949860 /nfs/dbraw/zinc/94/98/60/496949860.db2.gz KSCQQGNCTQQILU-UHFFFAOYSA-N -1 3 360.339 3.438 20 0 FGADHM O=C(NCC1(c2ccc(C(F)(F)F)cc2)CC1)c1cccc2[n-]nnc21 ZINC000188924368 496949862 /nfs/dbraw/zinc/94/98/62/496949862.db2.gz KSCQQGNCTQQILU-UHFFFAOYSA-N -1 3 360.339 3.438 20 0 FGADHM O=C(NCC1(c2ccc(C(F)(F)F)cc2)CC1)c1cccc2n[n-]nc21 ZINC000188924368 496949870 /nfs/dbraw/zinc/94/98/70/496949870.db2.gz KSCQQGNCTQQILU-UHFFFAOYSA-N -1 3 360.339 3.438 20 0 FGADHM O=C([N-]c1cnns1)C(=O)N[C@@H](c1cccc(Cl)c1)C1CCCC1 ZINC000192056957 496979556 /nfs/dbraw/zinc/97/95/56/496979556.db2.gz SXGXRIDOQFSKBT-CQSZACIVSA-N -1 3 364.858 3.178 20 0 FGADHM CC(C)CO[N-]C(=O)Nc1cccc(OCC(=O)Nc2ccccc2)c1 ZINC000269649246 496983324 /nfs/dbraw/zinc/98/33/24/496983324.db2.gz DOPJMOPAZGXQKE-UHFFFAOYSA-N -1 3 357.410 3.413 20 0 FGADHM CCc1ccc(C(=O)N2CCC[C@@H](c3nnc4n3CCCCC4)C2)c([O-])c1 ZINC000189035881 496985955 /nfs/dbraw/zinc/98/59/55/496985955.db2.gz PODDAQXMSJTKHM-MRXNPFEDSA-N -1 3 368.481 3.292 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)[C@@H](c1ccccc1)N(C)C ZINC000189036519 496987148 /nfs/dbraw/zinc/98/71/48/496987148.db2.gz MKEMLNWMNZAWHI-GTNSWQLSSA-N -1 3 372.412 3.074 20 0 FGADHM C[C@H]1CCC[C@H](OCc2cccc(NC(=O)C(=O)[N-]c3cnns3)c2)C1 ZINC000192085298 496989914 /nfs/dbraw/zinc/98/99/14/496989914.db2.gz GAMMXBJMXPJTKG-WFASDCNBSA-N -1 3 374.466 3.211 20 0 FGADHM CC(C)c1cc(C(=O)N2CCC[C@H](S(C)(=O)=O)C2)c([O-])c(C(C)C)c1 ZINC000274046623 497001391 /nfs/dbraw/zinc/00/13/91/497001391.db2.gz GJBCVRXEXGHYRT-HNNXBMFYSA-N -1 3 367.511 3.288 20 0 FGADHM Cc1nc(C(C)(C)[N-]S(=O)(=O)Cc2c(Cl)cccc2Cl)no1 ZINC000264956969 497019546 /nfs/dbraw/zinc/01/95/46/497019546.db2.gz MJZKDFSURCMCIY-UHFFFAOYSA-N -1 3 364.254 3.040 20 0 FGADHM COc1cc(C(=O)N(C)Cc2ccc(OC(F)F)cc2)cc(OC)c1[O-] ZINC000269902210 497020986 /nfs/dbraw/zinc/02/09/86/497020986.db2.gz DUPUOROPFKXILE-UHFFFAOYSA-N -1 3 367.348 3.283 20 0 FGADHM COc1cnccc1[C@@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000189163851 497029669 /nfs/dbraw/zinc/02/96/69/497029669.db2.gz JELWNNNUIRARIO-SECBINFHSA-N -1 3 361.250 3.437 20 0 FGADHM COc1ccc(CC[C@H](C)NC(=O)c2cc(OC)c([O-])c(OC)c2)cc1 ZINC000269971576 497035189 /nfs/dbraw/zinc/03/51/89/497035189.db2.gz VXXXFKJZEZRQSD-ZDUSSCGKSA-N -1 3 359.422 3.169 20 0 FGADHM C[C@H]1CCN(C(=O)c2cc(Br)nn2C)c2c([O-])cccc21 ZINC000192213311 497035410 /nfs/dbraw/zinc/03/54/10/497035410.db2.gz NVBLRNZKARVMJA-VIFPVBQESA-N -1 3 350.216 3.042 20 0 FGADHM COc1ccc(CN(C(=O)c2cc(OC)c([O-])c(OC)c2)C2CC2)cc1 ZINC000269985336 497037569 /nfs/dbraw/zinc/03/75/69/497037569.db2.gz ZYUDFBPLNRWBKV-UHFFFAOYSA-N -1 3 357.406 3.223 20 0 FGADHM CS[C@H](CO)[C@@H](C)[N-]S(=O)(=O)c1c(C)c(Cl)cc(C)c1Cl ZINC000223591556 497039877 /nfs/dbraw/zinc/03/98/77/497039877.db2.gz YBPRDTBJSNAHFP-MWLCHTKSSA-N -1 3 372.339 3.001 20 0 FGADHM O=C(NCCN1CCc2sccc2C1)c1cc([O-])ccc1C(F)(F)F ZINC000189213287 497047483 /nfs/dbraw/zinc/04/74/83/497047483.db2.gz KJDYRNRFLGIVSB-UHFFFAOYSA-N -1 3 370.396 3.261 20 0 FGADHM COc1ccc([O-])c(C(=O)N2CCC[C@H]2Cn2c(C)nc3ccccc32)c1 ZINC000270084836 497054548 /nfs/dbraw/zinc/05/45/48/497054548.db2.gz FUGLUQPFQLMEOV-HNNXBMFYSA-N -1 3 365.433 3.364 20 0 FGADHM O=C(N[C@@H]1C[C@H]2OCCC[C@H]12)c1cc(OCc2ccccc2)ccc1[O-] ZINC000189317204 497079945 /nfs/dbraw/zinc/07/99/45/497079945.db2.gz XPIDKXWXQSFNBE-YVWKXTFCSA-N -1 3 353.418 3.269 20 0 FGADHM Cc1nn(C)c2nc(C)c(C(=O)N3CC[C@H](C)c4cccc([O-])c43)cc12 ZINC000274379026 497083268 /nfs/dbraw/zinc/08/32/68/497083268.db2.gz MFOODHPWFHIOPR-NSHDSACASA-N -1 3 350.422 3.445 20 0 FGADHM COC1(C(=O)Nc2ccc(C)cc2[O-])CCN(C(=O)OC(C)(C)C)CC1 ZINC000270260764 497089281 /nfs/dbraw/zinc/08/92/81/497089281.db2.gz XLENGLWQAOCIBB-UHFFFAOYSA-N -1 3 364.442 3.055 20 0 FGADHM COc1cc(NC(=O)[C@H]2C[C@H]2C)c(C(=O)Nc2ccccc2[O-])cc1OC ZINC000270285478 497093837 /nfs/dbraw/zinc/09/38/37/497093837.db2.gz NKAAQEKXQFGRIX-NEPJUHHUSA-N -1 3 370.405 3.256 20 0 FGADHM C[C@H](Sc1ncccc1C(=O)Nc1ccccc1[O-])C(=O)N1CCCC1 ZINC000270306376 497098078 /nfs/dbraw/zinc/09/80/78/497098078.db2.gz TYHBVQPSTQBNRO-ZDUSSCGKSA-N -1 3 371.462 3.143 20 0 FGADHM Cc1cc(CS(=O)(=O)[N-][C@@H](Cc2ccc(C)cc2)c2ccccn2)no1 ZINC000265323369 497099163 /nfs/dbraw/zinc/09/91/63/497099163.db2.gz LCXAOMKFOAMJIA-IBGZPJMESA-N -1 3 371.462 3.090 20 0 FGADHM Cc1cc(=O)[n-]c([C@H](C)N[C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)n1 ZINC000248766532 497101325 /nfs/dbraw/zinc/10/13/25/497101325.db2.gz RRNBVKFBSNYYSY-FSBGKCOPSA-N -1 3 351.809 3.464 20 0 FGADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CCC(c2nncn2C2CC2)CC1 ZINC000265379916 497110641 /nfs/dbraw/zinc/11/06/41/497110641.db2.gz YKEMBGFVZMEEJX-UHFFFAOYSA-N -1 3 366.465 3.217 20 0 FGADHM C[C@H](NC(=O)c1cc([O-])ccc1Cl)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000574931186 505885826 /nfs/dbraw/zinc/88/58/26/505885826.db2.gz FSSVUCYQIAGCBU-LIRRHRJNSA-N -1 3 374.868 3.065 20 0 FGADHM Cc1cc([N-]C(=O)[C@H](C)N2CCC(C(=O)c3ccc(F)cc3)CC2)on1 ZINC000192467742 497124243 /nfs/dbraw/zinc/12/42/43/497124243.db2.gz JLKHAPYSYCRECY-ZDUSSCGKSA-N -1 3 359.401 3.044 20 0 FGADHM CCc1ccc([C@@H]2COCCN2C(=O)c2cc(=O)c3ccccc3[n-]2)o1 ZINC000265584965 497144001 /nfs/dbraw/zinc/14/40/01/497144001.db2.gz XCZJWMJJOXQPOM-KRWDZBQOSA-N -1 3 352.390 3.310 20 0 FGADHM CC[C@H]1[C@@H](C)CCN1C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000274768557 497161156 /nfs/dbraw/zinc/16/11/56/497161156.db2.gz QTBGNPRHUNYSBS-WFASDCNBSA-N -1 3 369.487 3.109 20 0 FGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@H]1[C@H](C)CCC[C@@H]1C ZINC000265694362 497162458 /nfs/dbraw/zinc/16/24/58/497162458.db2.gz XGQWPDZLIVYSNC-BDQBCWGISA-N -1 3 368.481 3.426 20 0 FGADHM O=C([N-]c1cnns1)c1coc(-c2ccc(Br)cc2F)n1 ZINC000189560558 497162847 /nfs/dbraw/zinc/16/28/47/497162847.db2.gz BNIYMTNQMVIMOO-UHFFFAOYSA-N -1 3 369.175 3.347 20 0 FGADHM COc1cc(C(=O)Nc2ccc(N3CCCCC3)nc2)cc(OC)c1[O-] ZINC000270638258 497168508 /nfs/dbraw/zinc/16/85/08/497168508.db2.gz JCMPULHZUAPZFD-UHFFFAOYSA-N -1 3 357.410 3.047 20 0 FGADHM O=C(N[C@@H]1CCCN(c2ccccc2F)C1)c1c[n-]nc1-c1ccccn1 ZINC000574948308 505888695 /nfs/dbraw/zinc/88/86/95/505888695.db2.gz RHNONEZQKDZDKK-CQSZACIVSA-N -1 3 365.412 3.010 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@H]2CC3CCC2CC3)c1-c1ccc2c(c1)OCCO2 ZINC000578217346 505889159 /nfs/dbraw/zinc/88/91/59/505889159.db2.gz GKBFTTVMVROJSI-XUJLQICISA-N -1 3 367.449 3.343 20 0 FGADHM Cc1sc([N-]C(=O)c2csnn2)nc1-c1ccc2c(c1)CCC(=O)N2 ZINC000192680333 497182380 /nfs/dbraw/zinc/18/23/80/497182380.db2.gz SGVUDMJJXOAUPF-UHFFFAOYSA-N -1 3 371.447 3.107 20 0 FGADHM COc1cc(C(=O)N[C@H](c2ccccc2)[C@H]2CCCO2)cc(OC)c1[O-] ZINC000270705747 497184521 /nfs/dbraw/zinc/18/45/21/497184521.db2.gz NEGPNWXRZRVROC-CRAIPNDOSA-N -1 3 357.406 3.060 20 0 FGADHM CN(Cc1ccccc1)[C@H](CNC(=O)CC1(C(=O)[O-])CCCC1)C1CC1 ZINC000274891505 497191913 /nfs/dbraw/zinc/19/19/13/497191913.db2.gz ZULPFXPNAHNYGK-GOSISDBHSA-N -1 3 358.482 3.048 20 0 FGADHM CCc1ccc(C(=O)N2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)c([O-])c1 ZINC000189653765 497197079 /nfs/dbraw/zinc/19/70/79/497197079.db2.gz UWMSGYJIALNTRH-OAHLLOKOSA-N -1 3 358.482 3.065 20 0 FGADHM CC[C@@H]1Oc2cc([C@@H](C)N[C@@H](C)c3nc(C)cc(=O)[n-]3)ccc2NC1=O ZINC000192738457 497200183 /nfs/dbraw/zinc/20/01/83/497200183.db2.gz OUHPKSTXLMFMNI-XUJVJEKNSA-N -1 3 356.426 3.012 20 0 FGADHM CC[C@@H]1Oc2cc([C@H](C)N[C@@H](C)c3nc(C)cc(=O)[n-]3)ccc2NC1=O ZINC000192738482 497200325 /nfs/dbraw/zinc/20/03/25/497200325.db2.gz OUHPKSTXLMFMNI-HUBLWGQQSA-N -1 3 356.426 3.012 20 0 FGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@@H](C)CCc1ccccc1 ZINC000189664850 497202592 /nfs/dbraw/zinc/20/25/92/497202592.db2.gz LRORGMNYPIBMRY-ZDUSSCGKSA-N -1 3 367.492 3.143 20 0 FGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@@H](C)Cc1ccc(C)s1 ZINC000189676007 497207687 /nfs/dbraw/zinc/20/76/87/497207687.db2.gz GRUKJPVUFRUKNW-JTQLQIEISA-N -1 3 373.521 3.123 20 0 FGADHM CC(C)CNC(=O)N1CCC[C@H](Cc2nc(-c3ccc([O-])cc3)no2)C1 ZINC000265940961 497213263 /nfs/dbraw/zinc/21/32/63/497213263.db2.gz IRNRVEGHNXJUDG-CQSZACIVSA-N -1 3 358.442 3.062 20 0 FGADHM CCC1(CC)CCN(C(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)CC1 ZINC000274997883 497215133 /nfs/dbraw/zinc/21/51/33/497215133.db2.gz NRZAVNJELIUJAS-UHFFFAOYSA-N -1 3 356.463 3.240 20 0 FGADHM O=C(NCc1ccc([O-])c(Br)c1)[C@@H]1CCCc2cccnc21 ZINC000192791955 497215220 /nfs/dbraw/zinc/21/52/20/497215220.db2.gz FTFCMYGORKIPLM-CYBMUJFWSA-N -1 3 361.239 3.286 20 0 FGADHM COc1cc(C(=O)NC[C@H](OC)c2ccc(Cl)cc2)cc(OC)c1[O-] ZINC000270862529 497216967 /nfs/dbraw/zinc/21/69/67/497216967.db2.gz ZUGDQROFPPTTHP-INIZCTEOSA-N -1 3 365.813 3.180 20 0 FGADHM Cc1c(C(=O)N2CCCc3cccc([O-])c32)nnn1Cc1ccc(F)cc1 ZINC000192837260 497226681 /nfs/dbraw/zinc/22/66/81/497226681.db2.gz AVUJATUMVLBSMG-UHFFFAOYSA-N -1 3 366.396 3.073 20 0 FGADHM CCOC(=O)c1cc(NC(=O)[C@@H](C)Oc2cccc3ccccc32)n[n-]1 ZINC000192851304 497230214 /nfs/dbraw/zinc/23/02/14/497230214.db2.gz RKTIXALHGBMSOR-GFCCVEGCSA-N -1 3 353.378 3.146 20 0 FGADHM CCOC(=O)c1cc(NC(=O)[C@@H](C)Oc2cccc3ccccc32)[n-]n1 ZINC000192851304 497230217 /nfs/dbraw/zinc/23/02/17/497230217.db2.gz RKTIXALHGBMSOR-GFCCVEGCSA-N -1 3 353.378 3.146 20 0 FGADHM COCCC[C@@H](Cc1ccccc1)NC(=O)c1c[n-]nc1-c1ccccn1 ZINC000581042713 505896530 /nfs/dbraw/zinc/89/65/30/505896530.db2.gz LLAGWHPXOUAAIG-KRWDZBQOSA-N -1 3 364.449 3.239 20 0 FGADHM COc1ccccc1-c1noc([C@H](C)[N-]S(=O)(=O)C2CCCCC2)n1 ZINC000266305922 497300479 /nfs/dbraw/zinc/30/04/79/497300479.db2.gz OOYCVIUBGCQDLZ-LBPRGKRZSA-N -1 3 365.455 3.058 20 0 FGADHM C[C@@H]1CN(C(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)[C@H]1c1ccccc1 ZINC000266324741 497305654 /nfs/dbraw/zinc/30/56/54/497305654.db2.gz SBQJBCXGLXLSFO-SJKOYZFVSA-N -1 3 362.426 3.030 20 0 FGADHM Cc1nc(Cl)ccc1NC([O-])=NOC[C@H](C)NC(=O)OC(C)(C)C ZINC000279021313 497306602 /nfs/dbraw/zinc/30/66/02/497306602.db2.gz VSOSQIKXNODEQL-VIFPVBQESA-N -1 3 358.826 3.010 20 0 FGADHM Cc1nc(Cl)ccc1NC(=O)[N-]OC[C@H](C)NC(=O)OC(C)(C)C ZINC000279021313 497306605 /nfs/dbraw/zinc/30/66/05/497306605.db2.gz VSOSQIKXNODEQL-VIFPVBQESA-N -1 3 358.826 3.010 20 0 FGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]C[C@H]3CCO[C@H](C)C3)s2)cs1 ZINC000271265958 497307613 /nfs/dbraw/zinc/30/76/13/497307613.db2.gz MDAXDRWSADLTIR-PWSUYJOCSA-N -1 3 372.537 3.273 20 0 FGADHM CCCCOc1ccc(C(=O)N2CCN(c3ccc(O)cc3)CC2)c([O-])c1 ZINC000189994455 497319178 /nfs/dbraw/zinc/31/91/78/497319178.db2.gz NJVXDHQFEZJRQU-UHFFFAOYSA-N -1 3 370.449 3.239 20 0 FGADHM CCCCOc1ccc(C(=O)N2CCN(c3ccccc3O)CC2)c([O-])c1 ZINC000189999354 497319776 /nfs/dbraw/zinc/31/97/76/497319776.db2.gz CANHTQDSWQMKPX-UHFFFAOYSA-N -1 3 370.449 3.239 20 0 FGADHM Cc1cc(C(=O)Nc2ccc(F)c([N-]S(C)(=O)=O)c2)c2ccccc2n1 ZINC000193235934 497330434 /nfs/dbraw/zinc/33/04/34/497330434.db2.gz DGDSCLQOBIGLCZ-UHFFFAOYSA-N -1 3 373.409 3.306 20 0 FGADHM CCCCOc1ccc(C(=O)N(C)Cc2ccc(C(=O)NC)cc2)c([O-])c1 ZINC000190029434 497331258 /nfs/dbraw/zinc/33/12/58/497331258.db2.gz WDYOVWAUMQILGT-UHFFFAOYSA-N -1 3 370.449 3.203 20 0 FGADHM COC(=O)c1sc2[n-]c(CN3CCC[C@H]4CCC[C@H]43)nc(=O)c2c1C ZINC000253547548 497338900 /nfs/dbraw/zinc/33/89/00/497338900.db2.gz BZYCJFCQBIACTN-VXGBXAGGSA-N -1 3 361.467 3.256 20 0 FGADHM CC(C)[C@H]1C[C@@H](NC(=O)NCc2ccc([O-])c(Br)c2)CCO1 ZINC000271429345 497346768 /nfs/dbraw/zinc/34/67/68/497346768.db2.gz AZCVWMVTLQFEHY-SWLSCSKDSA-N -1 3 371.275 3.158 20 0 FGADHM CC[C@H]1CC[C@H](C)N1C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000271488411 497361782 /nfs/dbraw/zinc/36/17/82/497361782.db2.gz VLXAQGQFWRCSTA-JSGCOSHPSA-N -1 3 369.487 3.252 20 0 FGADHM CC(=O)N(c1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1)C1CC1 ZINC000244038589 497363368 /nfs/dbraw/zinc/36/33/68/497363368.db2.gz SXGALBDBXNFXKM-UHFFFAOYSA-N -1 3 362.426 3.450 20 0 FGADHM CC[S@@](=O)[C@H]1CCC[C@H](NC(=O)c2cc([O-])ccc2C(F)(F)F)C1 ZINC000193457961 497384470 /nfs/dbraw/zinc/38/44/70/497384470.db2.gz JHQIZDDCFLGFEB-NYSDREHZSA-N -1 3 363.401 3.221 20 0 FGADHM CCCCOc1ccc(C(=O)N2CCC(c3nc(C)no3)CC2)c([O-])c1 ZINC000190169337 497384681 /nfs/dbraw/zinc/38/46/81/497384681.db2.gz CVWSSLNNMZRDGG-UHFFFAOYSA-N -1 3 359.426 3.282 20 0 FGADHM O=C(Nc1ccc2ncsc2c1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000193494307 497395224 /nfs/dbraw/zinc/39/52/24/497395224.db2.gz RHJMPQHMZJOPGZ-OAHLLOKOSA-N -1 3 367.430 3.245 20 0 FGADHM O=C(NC[C@@H](O)Cc1ccccc1)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000190244817 497412862 /nfs/dbraw/zinc/41/28/62/497412862.db2.gz NGZIGQDPSGSPAC-LBPRGKRZSA-N -1 3 361.854 3.125 20 0 FGADHM O=C(Nc1ccc2nnc(C3CCC3)n2c1)c1c[n-]c2ccccc2c1=O ZINC000190302221 497428927 /nfs/dbraw/zinc/42/89/27/497428927.db2.gz LUCGFKOAAKCCOI-UHFFFAOYSA-N -1 3 359.389 3.091 20 0 FGADHM O=C(Nc1ccc2nnc(C3CCC3)n2c1)c1cnc2ccccc2c1[O-] ZINC000190302221 497428929 /nfs/dbraw/zinc/42/89/29/497428929.db2.gz LUCGFKOAAKCCOI-UHFFFAOYSA-N -1 3 359.389 3.091 20 0 FGADHM O=C(Nc1ccn(CC(F)(F)F)n1)c1cc([O-])ccc1C(F)(F)F ZINC000193621248 497430459 /nfs/dbraw/zinc/43/04/59/497430459.db2.gz AKIZHBPEHNOFFX-UHFFFAOYSA-N -1 3 353.222 3.422 20 0 FGADHM CC[C@](C)(O)CN(Cc1ccccc1)C(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000275926542 497465237 /nfs/dbraw/zinc/46/52/37/497465237.db2.gz NGVJNZITEHAHGY-NRFANRHFSA-N -1 3 370.449 3.154 20 0 FGADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCC(C(=O)c3cc(F)ccc3F)CC2)n1 ZINC000279614619 497487885 /nfs/dbraw/zinc/48/78/85/497487885.db2.gz XXPDROXUZHESQD-GFCCVEGCSA-N -1 3 361.392 3.425 20 0 FGADHM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]C(C1CC1)C1CC1 ZINC000190489496 497501363 /nfs/dbraw/zinc/50/13/63/497501363.db2.gz FZPLVKJZKQGZHA-LLVKDONJSA-N -1 3 373.902 3.221 20 0 FGADHM Cn1nc(CCNC(=O)c2cc([O-])ccc2C(F)(F)F)c2ccccc21 ZINC000193864817 497506379 /nfs/dbraw/zinc/50/63/79/497506379.db2.gz ZHNKYZZWUTZVRT-UHFFFAOYSA-N -1 3 363.339 3.270 20 0 FGADHM CCN(C(=O)CN1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1)c1cccc2ccccc21 ZINC000262114741 497510409 /nfs/dbraw/zinc/51/04/09/497510409.db2.gz IXVHUWWZRMNZAH-HTAPYJJXSA-N -1 3 366.461 3.379 20 0 FGADHM CC1(C)CN(Cc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)C[C@@H]1O ZINC000279690811 497510522 /nfs/dbraw/zinc/51/05/22/497510522.db2.gz GDAIBJRQXMMTJE-AWEZNQCLSA-N -1 3 355.463 3.267 20 0 FGADHM O=c1cc(CN2CCC(Oc3ccc(F)nc3)CC2)c2ccc([O-])cc2o1 ZINC000190535604 497520111 /nfs/dbraw/zinc/52/01/11/497520111.db2.gz BDKDPKUZXTXFQI-UHFFFAOYSA-N -1 3 370.380 3.076 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]C[C@@H]2CCSC2)c(Cl)c1Cl ZINC000279868039 497569665 /nfs/dbraw/zinc/56/96/65/497569665.db2.gz SXZRZSTVIFFFJB-QMMMGPOBSA-N -1 3 356.296 3.033 20 0 FGADHM COc1ccc(OCc2ccccn2)c(/C=C/C(=O)[N-]OCCSC)c1 ZINC000279913488 497585972 /nfs/dbraw/zinc/58/59/72/497585972.db2.gz GYVLTFGOYNUEDW-RMKNXTFCSA-N -1 3 374.462 3.093 20 0 FGADHM COc1cc(F)cc2sc(NC(=O)c3n[n-]nc3-c3ccccc3)nc21 ZINC000194185034 497597331 /nfs/dbraw/zinc/59/73/31/497597331.db2.gz VMRIGHTXPVOKGD-UHFFFAOYSA-N -1 3 369.381 3.481 20 0 FGADHM CCn1c2ccc(F)cc2nc1NC(=O)c1n[n-]nc1-c1ccccc1 ZINC000194228031 497607606 /nfs/dbraw/zinc/60/76/06/497607606.db2.gz FSYFDZAWPLYJNQ-UHFFFAOYSA-N -1 3 350.357 3.233 20 0 FGADHM Cc1c(Br)cccc1CC(=O)Nc1cc(-c2nccn2C)[n-]n1 ZINC000190805675 497609481 /nfs/dbraw/zinc/60/94/81/497609481.db2.gz 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ZINC000263114281 497708277 /nfs/dbraw/zinc/70/82/77/497708277.db2.gz BVHPEKCVUSHQMS-UHFFFAOYSA-N -1 3 352.434 3.164 20 0 FGADHM CC(C)N1CCO[C@H](c2noc(-c3cc([O-])ccc3C(F)(F)F)n2)C1 ZINC000280291022 497709183 /nfs/dbraw/zinc/70/91/83/497709183.db2.gz MRQWBSOUMCUOSH-ZDUSSCGKSA-N -1 3 357.332 3.243 20 0 FGADHM CC(C)c1ccc([C@@H](NC(=O)CN2CC[C@@](C)(C(=O)[O-])C2)C(C)C)cc1 ZINC000263131714 497713756 /nfs/dbraw/zinc/71/37/56/497713756.db2.gz LPRMCEWEERKTPX-PZJWPPBQSA-N -1 3 360.498 3.420 20 0 FGADHM CCCc1c(NC([O-])=NOC[C@H]2CCOC2)cnn1-c1ccc(F)cc1 ZINC000277084043 497737016 /nfs/dbraw/zinc/73/70/16/497737016.db2.gz MSRBVIJNHJSGQK-ZDUSSCGKSA-N -1 3 362.405 3.054 20 0 FGADHM CCCc1c(NC(=O)[N-]OC[C@H]2CCOC2)cnn1-c1ccc(F)cc1 ZINC000277084043 497737018 /nfs/dbraw/zinc/73/70/18/497737018.db2.gz MSRBVIJNHJSGQK-ZDUSSCGKSA-N -1 3 362.405 3.054 20 0 FGADHM COc1ccccc1S(=O)(=O)[N-]c1cc2c(cc1Cl)CCC2=O ZINC000191229283 497749698 /nfs/dbraw/zinc/74/96/98/497749698.db2.gz UIPPMBIVPPMBBO-UHFFFAOYSA-N -1 3 351.811 3.278 20 0 FGADHM O=C([O-])[C@H]1C[C@@H](C2CCCCC2)CN1Cc1ccn(CC(F)(F)F)n1 ZINC000572257929 505927570 /nfs/dbraw/zinc/92/75/70/505927570.db2.gz FAIOFLNELOSFGF-UKRRQHHQSA-N -1 3 359.392 3.301 20 0 FGADHM C[C@@H](NC(=O)CN1C[C@H](C)C[C@H](C(=O)[O-])C1)c1ccc(Cl)cc1Cl ZINC000263339166 497761756 /nfs/dbraw/zinc/76/17/56/497761756.db2.gz NBBNCEAWXQNBQZ-UTUOFQBUSA-N -1 3 373.280 3.213 20 0 FGADHM Cc1ccc(NC(=O)[C@H](c2ccccc2)N2C[C@@H](C)[C@H](C(=O)[O-])C2)cc1 ZINC000263342875 497762935 /nfs/dbraw/zinc/76/29/35/497762935.db2.gz NVZRDZGRRWLQTE-LZQZEXGQSA-N -1 3 352.434 3.327 20 0 FGADHM COCc1nc(S[C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)n[n-]1 ZINC000268494258 497764377 /nfs/dbraw/zinc/76/43/77/497764377.db2.gz PPSVAXQKROOQJM-ZETCQYMHSA-N -1 3 361.254 3.377 20 0 FGADHM C[C@H](CN(C)[C@@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000263367661 497769593 /nfs/dbraw/zinc/76/95/93/497769593.db2.gz UIFBHTDFVSDWCF-VWYCJHECSA-N -1 3 361.269 3.212 20 0 FGADHM 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/nfs/dbraw/zinc/96/41/06/505964106.db2.gz IFRLTYIZBMLOGK-KWQFWETISA-N -1 3 363.336 3.025 20 0 FGADHM CC(C)[C@H](c1noc([C@H](C)[N-]S(C)(=O)=O)n1)c1ccc(Cl)cc1 ZINC000289099302 498016770 /nfs/dbraw/zinc/01/67/70/498016770.db2.gz KZKNUHYEMFHONT-GWCFXTLKSA-N -1 3 357.863 3.121 20 0 FGADHM CS(=O)(=O)[N-]c1ccc(-c2noc(-c3noc4c3CCCCC4)n2)cc1 ZINC000289119536 498024950 /nfs/dbraw/zinc/02/49/50/498024950.db2.gz WURANVCQSOESDZ-UHFFFAOYSA-N -1 3 374.422 3.032 20 0 FGADHM Cc1cc(CS(=O)(=O)[N-][C@H]2CC3(CCCC3)Oc3ccccc32)on1 ZINC000330137701 498035349 /nfs/dbraw/zinc/03/53/49/498035349.db2.gz IBKMARBOUJBLOL-INIZCTEOSA-N -1 3 362.451 3.239 20 0 FGADHM CC(C)(CO)ON=C([O-])Nc1ccc(Br)cc1C(F)(F)F ZINC000296478706 498059215 /nfs/dbraw/zinc/05/92/15/498059215.db2.gz QTYJSZNDWCANFX-UHFFFAOYSA-N -1 3 371.153 3.292 20 0 FGADHM CC(C)(CO)O[N-]C(=O)Nc1ccc(Br)cc1C(F)(F)F ZINC000296478706 498059216 /nfs/dbraw/zinc/05/92/16/498059216.db2.gz QTYJSZNDWCANFX-UHFFFAOYSA-N -1 3 371.153 3.292 20 0 FGADHM 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CCc1nsc(N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)n1 ZINC000301522627 498146492 /nfs/dbraw/zinc/14/64/92/498146492.db2.gz ODDMFGRHURPMOO-UHFFFAOYSA-N -1 3 366.874 3.315 20 0 FGADHM O=C([O-])CN(Cc1ccccc1)Cc1ccc(OCC(F)(F)F)nc1 ZINC000578660540 505991380 /nfs/dbraw/zinc/99/13/80/505991380.db2.gz LMGJANDRMMNNHE-UHFFFAOYSA-N -1 3 354.328 3.110 20 0 FGADHM CCc1noc(C)c1C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000292872803 498178660 /nfs/dbraw/zinc/17/86/60/498178660.db2.gz SQZQPAIPVRZPBE-UHFFFAOYSA-N -1 3 366.336 3.182 20 0 FGADHM Cc1noc([C@@H](C)[N-]S(=O)(=O)c2c(C)cc(C(C)(C)C)cc2C)n1 ZINC000330770978 498190373 /nfs/dbraw/zinc/19/03/73/498190373.db2.gz BQJIEHWVLIQZEZ-GFCCVEGCSA-N -1 3 351.472 3.332 20 0 FGADHM COC(=O)c1sc2[n-]c(CN3CCC[C@@H](C4CC4)C3)nc(=O)c2c1C ZINC000289554454 498191381 /nfs/dbraw/zinc/19/13/81/498191381.db2.gz XKFJUNYMGAANQN-GFCCVEGCSA-N -1 3 361.467 3.114 20 0 FGADHM Cc1csc(C(C)(C)[N-]S(=O)(=O)c2ccc(Br)o2)n1 ZINC000330802761 498197409 /nfs/dbraw/zinc/19/74/09/498197409.db2.gz 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FGADHM Cc1cc(NCC[N-]S(=O)(=O)c2cccs2)c2cc(F)ccc2n1 ZINC000301805491 498271907 /nfs/dbraw/zinc/27/19/07/498271907.db2.gz YDXVRSBCOQLROP-UHFFFAOYSA-N -1 3 365.455 3.134 20 0 FGADHM CCc1cc2c(CN3CC[C@H](n4cc(C)cn4)C3)cc(=O)oc2cc1[O-] ZINC000289754309 498277876 /nfs/dbraw/zinc/27/78/76/498277876.db2.gz FOPXATVTBWUQAP-INIZCTEOSA-N -1 3 353.422 3.013 20 0 FGADHM COc1cc(CNc2cc(C3CC3)n(C)n2)cc(Br)c1[O-] ZINC000289758847 498280744 /nfs/dbraw/zinc/28/07/44/498280744.db2.gz IBCRKQDDHRSNMD-UHFFFAOYSA-N -1 3 352.232 3.386 20 0 FGADHM C[C@@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)c3ccccc32)c2c([O-])cccc21 ZINC000286145779 498304634 /nfs/dbraw/zinc/30/46/34/498304634.db2.gz RNHFPXNBTUGAMJ-CZUORRHYSA-N -1 3 371.458 3.194 20 0 FGADHM CC(C)(CO)[C@H]([N-]S(=O)(=O)Cc1ccccc1F)c1cccs1 ZINC000289831042 498312064 /nfs/dbraw/zinc/31/20/64/498312064.db2.gz LGIQLLHFGAVYJF-OAHLLOKOSA-N -1 3 357.472 3.066 20 0 FGADHM Cc1nc(-c2ccc(NC(=O)N3CCO[C@H](C(C)(C)C)C3)cc2)cc(=O)[n-]1 ZINC000569779738 506013928 /nfs/dbraw/zinc/01/39/28/506013928.db2.gz SSUOEWIDSJYZTN-KRWDZBQOSA-N -1 3 370.453 3.436 20 0 FGADHM O=c1cc(CN2CCC(CO)(c3ccccc3)CC2)c2ccc([O-])cc2o1 ZINC000293234023 498314340 /nfs/dbraw/zinc/31/43/40/498314340.db2.gz HHXUKZRJLBKNOZ-UHFFFAOYSA-N -1 3 365.429 3.025 20 0 FGADHM CC(C)CS(=O)(=O)CCc1nc(-c2ccc([O-])c3ccccc23)no1 ZINC000293266812 498326032 /nfs/dbraw/zinc/32/60/32/498326032.db2.gz ASNVGYLJBFZHHJ-UHFFFAOYSA-N -1 3 360.435 3.209 20 0 FGADHM C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)NCc2nnc(C(F)(F)F)[n-]2)C1 ZINC000331453175 498336782 /nfs/dbraw/zinc/33/67/82/498336782.db2.gz FDRQFXUYKNFRGO-JOYOIKCWSA-N -1 3 371.338 3.255 20 0 FGADHM C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)NCc2n[n-]c(C(F)(F)F)n2)C1 ZINC000331453175 498336787 /nfs/dbraw/zinc/33/67/87/498336787.db2.gz FDRQFXUYKNFRGO-JOYOIKCWSA-N -1 3 371.338 3.255 20 0 FGADHM C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)NCc2nc(C(F)(F)F)n[n-]2)C1 ZINC000331453175 498336795 /nfs/dbraw/zinc/33/67/95/498336795.db2.gz FDRQFXUYKNFRGO-JOYOIKCWSA-N -1 3 371.338 3.255 20 0 FGADHM CC(C)C[C@@H](C)S(=O)(=O)[N-][C@@H](c1nc(-c2ccncc2)no1)C(C)C ZINC000361068296 498340163 /nfs/dbraw/zinc/34/01/63/498340163.db2.gz HLCJPCDCGJQEIM-UKRRQHHQSA-N -1 3 366.487 3.183 20 0 FGADHM O=C(N=c1cc2ccccn2[n-]1)NCc1ccc(OCc2ccccn2)cc1 ZINC000575856630 506019170 /nfs/dbraw/zinc/01/91/70/506019170.db2.gz NVFNJSDTVRQNRW-UHFFFAOYSA-N -1 3 373.416 3.052 20 0 FGADHM CC(=O)c1ccc(C(=O)N2C[C@@H](c3ccc(F)cc3)O[C@@H](C)C2)cc1[O-] ZINC000331531968 498362449 /nfs/dbraw/zinc/36/24/49/498362449.db2.gz KXEOJAQKYLKOML-BUXKBTBVSA-N -1 3 357.381 3.336 20 0 FGADHM O=C(c1c[n-]c2ccccc2c1=O)N1CCC[C@@H](COc2ccccc2)C1 ZINC000361415450 498387982 /nfs/dbraw/zinc/38/79/82/498387982.db2.gz BGHVVIQGXNRVHK-MRXNPFEDSA-N -1 3 362.429 3.459 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)o1 ZINC000331599605 498388443 /nfs/dbraw/zinc/38/84/43/498388443.db2.gz VEBICGHXPXUZFR-ZBFHGGJFSA-N -1 3 372.849 3.104 20 0 FGADHM C[C@@H]1CN(c2ccc(NC([O-])=NOC/C=C/Cl)cc2F)C[C@H](C)O1 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20 0 FGADHM CC(C)N(CC[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F)C(C)C ZINC000578851856 506037045 /nfs/dbraw/zinc/03/70/45/506037045.db2.gz XMKWXFCJGDAAIZ-UHFFFAOYSA-N -1 3 354.850 3.015 20 0 FGADHM Cn1ncc(CN2C[C@H](C3CCCCC3)C[C@H]2C(=O)[O-])c1C(F)(F)F ZINC000575936506 506037118 /nfs/dbraw/zinc/03/71/18/506037118.db2.gz WLIBOHSUMAZOFL-OCCSQVGLSA-N -1 3 359.392 3.294 20 0 FGADHM CCC[C@H](CCc1ccccc1)NC(=O)CNC(=O)c1ccc([O-])cc1 ZINC000575942622 506038665 /nfs/dbraw/zinc/03/86/65/506038665.db2.gz OFSJILPYCMQSSZ-GOSISDBHSA-N -1 3 354.450 3.040 20 0 FGADHM O=C(N[C@@H]1CCCN(CC(F)(F)F)C1)c1cc([O-])ccc1C(F)(F)F ZINC000293731217 498470196 /nfs/dbraw/zinc/47/01/96/498470196.db2.gz UULMAHXPQWAKGO-SECBINFHSA-N -1 3 370.293 3.168 20 0 FGADHM CCOC(=O)[C@H]1CCCc2sc([N-]C(=O)c3nc(Cl)cs3)nc21 ZINC000293781748 498487365 /nfs/dbraw/zinc/48/73/65/498487365.db2.gz AJUBYZRTTDJZIK-ZETCQYMHSA-N -1 3 371.871 3.488 20 0 FGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CC(C)(C)[C@H]1C(C)C ZINC000293784450 498487961 /nfs/dbraw/zinc/48/79/61/498487961.db2.gz FFFMCJFVMVGNON-GOSISDBHSA-N -1 3 368.481 3.378 20 0 FGADHM CCOC(=O)[C@H](F)C1CN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC000293787446 498489269 /nfs/dbraw/zinc/48/92/69/498489269.db2.gz ASHGGLFNHWYMLA-GOSISDBHSA-N -1 3 373.380 3.158 20 0 FGADHM CCc1ccc(CCC(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)cc1 ZINC000290329292 498510435 /nfs/dbraw/zinc/51/04/35/498510435.db2.gz JIQATWIVBQYYFN-MRXNPFEDSA-N -1 3 370.415 3.099 20 0 FGADHM CCOc1cc(CN2CC=C(COC)CC2)cc(Br)c1[O-] ZINC000297619759 498513770 /nfs/dbraw/zinc/51/37/70/498513770.db2.gz LFTOBDMJBPFDLA-UHFFFAOYSA-N -1 3 356.260 3.332 20 0 FGADHM CCc1ccc([O-])c(C(=O)N2CCN(C(=O)CCC3CCCC3)CC2)c1 ZINC000332009734 498531297 /nfs/dbraw/zinc/53/12/97/498531297.db2.gz ZIOIEAOWEZPIQX-UHFFFAOYSA-N -1 3 358.482 3.209 20 0 FGADHM Cc1nnc([C@H]([N-]C(=O)C(F)(F)c2ccccc2F)c2ccccc2)n1C ZINC000362670478 498535929 /nfs/dbraw/zinc/53/59/29/498535929.db2.gz UBNPCTOTZRCUFV-MRXNPFEDSA-N -1 3 374.366 3.260 20 0 FGADHM 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CC(C)(C)c1nnc(C[N-]S(=O)(=O)CCc2ccc(Cl)cc2)s1 ZINC000581814355 506067149 /nfs/dbraw/zinc/06/71/49/506067149.db2.gz ICTXBANREMTQEC-UHFFFAOYSA-N -1 3 373.931 3.151 20 0 FGADHM COc1cccc2c1ncc(C(=O)[O-])c2N1CCN(CCC(C)(C)C)CC1 ZINC000578991773 506069511 /nfs/dbraw/zinc/06/95/11/506069511.db2.gz GFUUWLAJPFOHLY-UHFFFAOYSA-N -1 3 371.481 3.500 20 0 FGADHM COc1cccc(Cc2nnc(NC(=O)c3cccc(C)c3[O-])s2)c1 ZINC000303346649 498667660 /nfs/dbraw/zinc/66/76/60/498667660.db2.gz WTFDRDSGHBIDCT-UHFFFAOYSA-N -1 3 355.419 3.404 20 0 FGADHM CSC[C@@H]1CCCN(C(=O)Cc2ccc(Br)cc2[O-])C1 ZINC000581842536 506071448 /nfs/dbraw/zinc/07/14/48/506071448.db2.gz OOFNITFDAHNJOZ-LLVKDONJSA-N -1 3 358.301 3.299 20 0 FGADHM CCc1cc(C(=O)N2CCC(NC(=O)c3cc(C)oc3C)CC2)ccc1[O-] ZINC000365883052 498685803 /nfs/dbraw/zinc/68/58/03/498685803.db2.gz XOVPBSZDJUAVST-UHFFFAOYSA-N -1 3 370.449 3.199 20 0 FGADHM O=C(N[C@H](CC(=O)N1CCC[C@@H]1CF)c1ccccc1)c1ccc([O-])cc1 ZINC000294443169 498694691 /nfs/dbraw/zinc/69/46/91/498694691.db2.gz VNLOHRKMXJGGCB-IEBWSBKVSA-N -1 3 370.424 3.214 20 0 FGADHM CCOc1cc(CN[C@H](C)c2cn(C)nc2C)cc(Br)c1[O-] ZINC000298234758 498704152 /nfs/dbraw/zinc/70/41/52/498704152.db2.gz BSFVABCWYRKVKE-SNVBAGLBSA-N -1 3 368.275 3.446 20 0 FGADHM CC1(C)C[C@@H]1C[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000305996878 498737193 /nfs/dbraw/zinc/73/71/93/498737193.db2.gz HYXPUTNJTUTGHI-MRVPVSSYSA-N -1 3 352.681 3.427 20 0 FGADHM COCCN1C(=O)CCc2cc(NCc3c(F)ccc([O-])c3F)ccc21 ZINC000294573834 498735000 /nfs/dbraw/zinc/73/50/00/498735000.db2.gz GNKJQPWKIBQNNE-UHFFFAOYSA-N -1 3 362.376 3.208 20 0 FGADHM O=C(NCC1(C2CCC2)CCC1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000576117828 506081920 /nfs/dbraw/zinc/08/19/20/506081920.db2.gz XCHGQIQDVGPAOI-KRWDZBQOSA-N -1 3 356.466 3.083 20 0 FGADHM CCCCCS(=O)(=O)[N-][C@@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000572924538 506084730 /nfs/dbraw/zinc/08/47/30/506084730.db2.gz WXBAKNNWFLMXCB-GOSISDBHSA-N -1 3 360.479 3.476 20 0 FGADHM CC(C)n1ccnc1S[C@@H](C)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000298418068 498763969 /nfs/dbraw/zinc/76/39/69/498763969.db2.gz FLHJKTNODRHEID-LBPRGKRZSA-N -1 3 367.496 3.199 20 0 FGADHM CCCc1nc([C@H](N[C@@H](C)c2nc(C)cc(=O)[n-]2)c2ccccc2)no1 ZINC000366080377 498765698 /nfs/dbraw/zinc/76/56/98/498765698.db2.gz XZTBPLOXODCRSC-SUMWQHHRSA-N -1 3 353.426 3.266 20 0 FGADHM COc1cccc([C@@H]2[C@H](NC(=O)c3cc([O-])ccc3F)CCN2C2CC2)c1 ZINC000572949545 506090554 /nfs/dbraw/zinc/09/05/54/506090554.db2.gz ZOIVETYFGQQPFN-WOJBJXKFSA-N -1 3 370.424 3.248 20 0 FGADHM CC(C)(O)C(C)(C)[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000318717891 498799165 /nfs/dbraw/zinc/79/91/65/498799165.db2.gz RLXYZIPINZMJNP-UHFFFAOYSA-N -1 3 359.797 3.187 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-][C@H](c1ccccc1)C1CCOCC1 ZINC000366165541 498804153 /nfs/dbraw/zinc/80/41/53/498804153.db2.gz TYESZFXVZPPHAF-MRXNPFEDSA-N -1 3 367.492 3.203 20 0 FGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H]1c2ccc(F)cc2O[C@@H]1C ZINC000366173480 498807930 /nfs/dbraw/zinc/80/79/30/498807930.db2.gz UKNOSBOTFGRTLP-MEBBXXQBSA-N -1 3 359.401 3.179 20 0 FGADHM O=S(=O)([N-]CC1(O)CCCCC1)c1ccc(Cl)cc1C(F)(F)F ZINC000321058954 498810562 /nfs/dbraw/zinc/81/05/62/498810562.db2.gz YVOLLRSOUMZDRR-UHFFFAOYSA-N -1 3 371.808 3.332 20 0 FGADHM CC[C@@]1(CO)CCCN1Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000298552745 498811548 /nfs/dbraw/zinc/81/15/48/498811548.db2.gz OHIMZKQYOZRSII-SFHVURJKSA-N -1 3 359.451 3.394 20 0 FGADHM O=C(CCc1ccc2ccccc2c1[O-])N1CCS[C@H]2COCC[C@H]21 ZINC000294813290 498813501 /nfs/dbraw/zinc/81/35/01/498813501.db2.gz CDDFSJZMHGJJNI-MSOLQXFVSA-N -1 3 357.475 3.211 20 0 FGADHM CO[C@H](Cc1ccccc1)CS(=O)(=O)[N-]c1cc2[nH]ccc2cc1C ZINC000572987593 506094220 /nfs/dbraw/zinc/09/42/20/506094220.db2.gz NKAKBQXYKUDFLS-QGZVFWFLSA-N -1 3 358.463 3.476 20 0 FGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]c1c(F)cc(F)cc1F ZINC000323110477 498819372 /nfs/dbraw/zinc/81/93/72/498819372.db2.gz PCNPSIVBAYPTPR-UHFFFAOYSA-N -1 3 365.354 3.061 20 0 FGADHM CC(C)[C@H]([N-]S(=O)(=O)C[C@H](C)c1ccccc1)C(=O)OC(C)(C)C ZINC000325464837 498837159 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Cc1cc(Cl)cnc1NC([O-])=NOC[C@H](C)NC(=O)OC(C)(C)C ZINC000291231453 498855468 /nfs/dbraw/zinc/85/54/68/498855468.db2.gz ABMCMUKZBHHLHX-JTQLQIEISA-N -1 3 358.826 3.010 20 0 FGADHM Cc1cc(Cl)cnc1NC(=O)[N-]OC[C@H](C)NC(=O)OC(C)(C)C ZINC000291231453 498855476 /nfs/dbraw/zinc/85/54/76/498855476.db2.gz ABMCMUKZBHHLHX-JTQLQIEISA-N -1 3 358.826 3.010 20 0 FGADHM Cc1cc(=O)c(-c2noc(-c3ccc4c(c3[O-])CCCC4)n2)c2n1CCC2 ZINC000333005628 498866187 /nfs/dbraw/zinc/86/61/87/498866187.db2.gz ACHVAMSHTALFIO-UHFFFAOYSA-N -1 3 363.417 3.404 20 0 FGADHM O=C(c1ccc2c(c1[O-])CCCC2)N1CCC(Oc2ccccn2)CC1 ZINC000333032169 498875872 /nfs/dbraw/zinc/87/58/72/498875872.db2.gz HTJGMMSWRBDPCP-UHFFFAOYSA-N -1 3 352.434 3.350 20 0 FGADHM Cc1cccc(NC(=O)[C@H]2CCCN(Cc3c(F)ccc([O-])c3F)C2)n1 ZINC000581993713 506108311 /nfs/dbraw/zinc/10/83/11/506108311.db2.gz MSOLYOPTAYKFPS-ZDUSSCGKSA-N -1 3 361.392 3.225 20 0 FGADHM C[C@@H]1CCC[C@H](OCC(=O)N=c2nc(-c3ccccc3Cl)[n-]n2C)C1 ZINC000579183175 506111678 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CCc1cc(C(=O)N[C@@H](CCSC)c2nnc3ccccn32)ccc1[O-] ZINC000291517169 498974003 /nfs/dbraw/zinc/97/40/03/498974003.db2.gz YMYGZQMFZPMTOM-HNNXBMFYSA-N -1 3 370.478 3.222 20 0 FGADHM Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000333318026 498977583 /nfs/dbraw/zinc/97/75/83/498977583.db2.gz WMJSZSBABUUCPA-MSOLQXFVSA-N -1 3 363.461 3.465 20 0 FGADHM COc1cc2c(cc1CNC[C@@H](Cc1cccc(C)c1)C(=O)[O-])O[C@@H](C)C2 ZINC000582051770 506122756 /nfs/dbraw/zinc/12/27/56/506122756.db2.gz FBTBWSDQAIXKKM-HNAYVOBHSA-N -1 3 369.461 3.360 20 0 FGADHM O=C(c1cc(F)c([O-])c(F)c1)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000288304562 498989552 /nfs/dbraw/zinc/98/95/52/498989552.db2.gz IEZINQQUSFSAQJ-OAQYLSRUSA-N -1 3 372.415 3.409 20 0 FGADHM O=C([N-]c1cc(Br)ccc1F)c1cc(CN2CCCC2)on1 ZINC000291567780 498994455 /nfs/dbraw/zinc/99/44/55/498994455.db2.gz YURSJMKXXAKKAR-UHFFFAOYSA-N -1 3 368.206 3.424 20 0 FGADHM CN(C(=O)c1ccc2c(c1[O-])CCCC2)C1CCN(c2ccccn2)CC1 ZINC000363793050 498995099 /nfs/dbraw/zinc/99/50/99/498995099.db2.gz JDMLKDXZXAYYIK-UHFFFAOYSA-N -1 3 365.477 3.407 20 0 FGADHM O=c1[n-]c(SC[C@H]2CCC[C@H](O)C2)nc2c1cnn2-c1ccccc1 ZINC000291594170 499005047 /nfs/dbraw/zinc/00/50/47/499005047.db2.gz GMNJQWWHPPTINS-JSGCOSHPSA-N -1 3 356.451 3.164 20 0 FGADHM C[C@@H]1C[C@H]1c1ccc(C(=O)[N-]c2cc(S(=O)(=O)N(C)C)ccc2F)o1 ZINC000366627484 499009718 /nfs/dbraw/zinc/00/97/18/499009718.db2.gz KQUNBJLTYODLLF-ZYHUDNBSSA-N -1 3 366.414 3.045 20 0 FGADHM CC(C)(CNC(=O)c1c[n-]c2ccccc2c1=O)Oc1cc(F)cc(F)c1 ZINC000582079247 506128247 /nfs/dbraw/zinc/12/82/47/506128247.db2.gz XOFWUYAJNVPBJW-UHFFFAOYSA-N -1 3 372.371 3.394 20 0 FGADHM C[C@@]1(C[C@@H]2CCCN2C(=O)C2C3CC4CC(C3)CC2C4)NC(=O)[N-]C1=O ZINC000329180730 499064403 /nfs/dbraw/zinc/06/44/03/499064403.db2.gz DMXYRDASGADOCY-XGGGVFKMSA-N -1 3 359.470 3.083 20 0 FGADHM C[C@@H](C[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)c1nccs1 ZINC000291780008 499065329 /nfs/dbraw/zinc/06/53/29/499065329.db2.gz WTJWZLDOMZLSLS-ZETCQYMHSA-N -1 3 356.416 3.305 20 0 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/nfs/dbraw/zinc/11/92/23/499119223.db2.gz BMEIWWVBARLZDI-CYBMUJFWSA-N -1 3 350.422 3.028 20 0 FGADHM CC(C)c1cc(C(=O)N2CCC[C@@]3(CNC(=O)O3)C2)c([O-])c(C(C)C)c1 ZINC000364135897 499122147 /nfs/dbraw/zinc/12/21/47/499122147.db2.gz NPDBSMHAACUNJL-HXUWFJFHSA-N -1 3 360.454 3.354 20 0 FGADHM Cc1n[n-]c(=NC[C@@H]2CCCN(C)[C@H]2c2ccc(C(F)(F)F)cc2)o1 ZINC000367328558 499182304 /nfs/dbraw/zinc/18/23/04/499182304.db2.gz ZRRBITBAPQWXJI-ZFWWWQNUSA-N -1 3 354.376 3.314 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cnc([C@H](C)O)s3)c2)n1 ZINC000367394890 499193716 /nfs/dbraw/zinc/19/37/16/499193716.db2.gz SNGJCHYLKYNFRV-JTQLQIEISA-N -1 3 370.434 3.174 20 0 FGADHM Cc1cc(=O)[n-]c([C@H](C)N[C@H]2CCOc3c(Br)cccc32)n1 ZINC000370313206 499208553 /nfs/dbraw/zinc/20/85/53/499208553.db2.gz HSGJKLWHXPOPAE-GWCFXTLKSA-N -1 3 364.243 3.428 20 0 FGADHM O=C(c1csc(=O)[n-]1)N1CCCc2c(Br)cccc2C1 ZINC000370659981 499240824 /nfs/dbraw/zinc/24/08/24/499240824.db2.gz VONUQDVGQHINFQ-UHFFFAOYSA-N -1 3 353.241 3.200 20 0 FGADHM CC(C)c1ccc(/C=C/CC(=O)N2CCC[C@@H]2c2nc(=N)n(C)[n-]2)cc1 ZINC000582127397 506140038 /nfs/dbraw/zinc/14/00/38/506140038.db2.gz UGQXOFSAEFZYNL-UKINESCASA-N -1 3 353.470 3.118 20 0 FGADHM Cc1cc([C@@H]2CCCN(c3ccc(-c4nc(C)c(C)c(=O)[n-]4)cn3)C2)n[nH]1 ZINC000371204058 499298132 /nfs/dbraw/zinc/29/81/32/499298132.db2.gz WVPBOYFZRAQOOC-MRXNPFEDSA-N -1 3 364.453 3.277 20 0 FGADHM Cc1cc([C@@H]2CCCN(c3ccc(-c4nc(C)c(C)c(=O)[n-]4)cn3)C2)[nH]n1 ZINC000371204058 499298134 /nfs/dbraw/zinc/29/81/34/499298134.db2.gz WVPBOYFZRAQOOC-MRXNPFEDSA-N -1 3 364.453 3.277 20 0 FGADHM Cc1nc(C)c(S(=O)(=O)[N-][C@H](C)c2ccc(-c3cncnc3)cc2)s1 ZINC000368543906 499305930 /nfs/dbraw/zinc/30/59/30/499305930.db2.gz QJZBLZGWCDPAHV-LLVKDONJSA-N -1 3 374.491 3.256 20 0 FGADHM Cn1c(=O)c2ccsc2nc1SCc1noc(-c2ccccc2[O-])n1 ZINC000368785307 499332528 /nfs/dbraw/zinc/33/25/28/499332528.db2.gz ZQGZEDDSDRRRDS-UHFFFAOYSA-N -1 3 372.431 3.043 20 0 FGADHM CSc1ccc(C(=O)N2CCc3c(cccc3NC(C)=O)C2)c([O-])c1 ZINC000368940725 499348862 /nfs/dbraw/zinc/34/88/62/499348862.db2.gz XRLDEUIJRMKUTI-UHFFFAOYSA-N -1 3 356.447 3.271 20 0 FGADHM Cc1cncn1C1CCN(C(=O)c2cc([O-])ccc2C(F)(F)F)CC1 ZINC000369154837 499371896 /nfs/dbraw/zinc/37/18/96/499371896.db2.gz JMFBKLBFYJBRAA-UHFFFAOYSA-N -1 3 353.344 3.393 20 0 FGADHM Cc1noc(C)c1CO[C@@H]1CCN(C(=O)Cc2ccc([O-])cc2Cl)C1 ZINC000372000205 499388527 /nfs/dbraw/zinc/38/85/27/499388527.db2.gz UDSHRSBWSNXGPO-OAHLLOKOSA-N -1 3 364.829 3.011 20 0 FGADHM O=C(N[C@@H](c1ccccc1)C1CCOCC1)c1cc(=O)c2ccccc2[n-]1 ZINC000369354366 499394961 /nfs/dbraw/zinc/39/49/61/499394961.db2.gz LNHYWFLOYXMFKP-NRFANRHFSA-N -1 3 362.429 3.426 20 0 FGADHM Cc1cn2c(n1)[C@H](C[N-]S(=O)(=O)c1cc(C)c(F)cc1Cl)CCC2 ZINC000372131598 499401957 /nfs/dbraw/zinc/40/19/57/499401957.db2.gz HXKRXLDVBYIQTG-LBPRGKRZSA-N -1 3 371.865 3.148 20 0 FGADHM CC(=O)N1CCCC[C@@H]1c1ccc(C(=O)Nc2ccc(C)cc2[O-])n1C ZINC000369649397 499431651 /nfs/dbraw/zinc/43/16/51/499431651.db2.gz SHWCEEDYCOTJDN-QGZVFWFLSA-N -1 3 355.438 3.365 20 0 FGADHM O=C(Nc1ccccc1[O-])[C@@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12 ZINC000373018680 499447625 /nfs/dbraw/zinc/44/76/25/499447625.db2.gz CEQGKQMHOGLGHU-HNAYVOBHSA-N -1 3 372.421 3.061 20 0 FGADHM Cc1c(-c2ccncc2)[n-][nH]c1=NC(=O)[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000373369966 499465951 /nfs/dbraw/zinc/46/59/51/499465951.db2.gz NXDYUKHOOMPJPI-STQMWFEESA-N -1 3 372.350 3.362 20 0 FGADHM CN1CC[C@H](CNC(=O)c2cc(F)c([O-])c(F)c2)[C@H]1c1cccs1 ZINC000373408313 499467950 /nfs/dbraw/zinc/46/79/50/499467950.db2.gz OENRUGPGPFJGMT-BMIGLBTASA-N -1 3 352.406 3.155 20 0 FGADHM Cc1nc(-c2ccccc2)oc1C(=O)N=c1[nH][n-]c(C)c1-c1ccncc1 ZINC000373424941 499469049 /nfs/dbraw/zinc/46/90/49/499469049.db2.gz FKSSPVIMUFDVDW-UHFFFAOYSA-N -1 3 359.389 3.418 20 0 FGADHM CC(=O)N1CCC[C@@H]1[C@H]1CCCN1C(=O)c1cc([O-])c2ccccc2c1 ZINC000373461091 499471272 /nfs/dbraw/zinc/47/12/72/499471272.db2.gz PUBPPWZXEULBIL-RTBURBONSA-N -1 3 352.434 3.161 20 0 FGADHM CC[C@@H]1CCCC[C@@H]1C(=O)NC1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000373547435 499476191 /nfs/dbraw/zinc/47/61/91/499476191.db2.gz NGCBHZHNZMKOQR-BEFAXECRSA-N -1 3 358.482 3.329 20 0 FGADHM CC(C)c1nnc([C@@H]2CC23CCN(C(=O)/C=C/c2cncc([O-])c2)CC3)o1 ZINC000378548624 499530675 /nfs/dbraw/zinc/53/06/75/499530675.db2.gz DDIKOSCCPVFWPR-CWDCEQMOSA-N -1 3 368.437 3.103 20 0 FGADHM CCC(CC)(CNC(=O)NC(C)(C)CN(C)Cc1ccccc1)C(=O)[O-] ZINC000379605783 499542070 /nfs/dbraw/zinc/54/20/70/499542070.db2.gz BCVIJVOWBMREFP-UHFFFAOYSA-N -1 3 363.502 3.087 20 0 FGADHM CC(C)[C@H](NCc1cc(Cl)ccc1I)C(=O)[O-] ZINC000405243170 499571254 /nfs/dbraw/zinc/57/12/54/499571254.db2.gz DMMLFWUZVZNJQP-NSHDSACASA-N -1 3 367.614 3.143 20 0 FGADHM Cc1cccnc1C(F)(F)C(=O)[N-][C@H](c1nccn1C)c1ccccc1F ZINC000375733613 499549802 /nfs/dbraw/zinc/54/98/02/499549802.db2.gz TZZMFYDTHZAEDE-HNNXBMFYSA-N -1 3 374.366 3.260 20 0 FGADHM CCOC1(C[N-]S(=O)(=O)c2ccc(Br)s2)CCCC1 ZINC000388957202 499551825 /nfs/dbraw/zinc/55/18/25/499551825.db2.gz RUGQXSOHPLPNCK-UHFFFAOYSA-N -1 3 368.318 3.138 20 0 FGADHM CCC[C@@](C)(O)C[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000389143668 499552235 /nfs/dbraw/zinc/55/22/35/499552235.db2.gz SRZMUNQYTULABP-GFCCVEGCSA-N -1 3 359.797 3.188 20 0 FGADHM C[C@@H]1CSC[C@H]1[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000397826200 499565221 /nfs/dbraw/zinc/56/52/21/499565221.db2.gz BCNFIRJAMAIBJZ-GMSGAONNSA-N -1 3 370.721 3.132 20 0 FGADHM C[C@H]1CSC[C@@H]1[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000397826210 499565244 /nfs/dbraw/zinc/56/52/44/499565244.db2.gz BCNFIRJAMAIBJZ-XVKPBYJWSA-N -1 3 370.721 3.132 20 0 FGADHM C[C@H](CCCCO)[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000398651465 499567710 /nfs/dbraw/zinc/56/77/10/499567710.db2.gz BSNGYFPIGCXSIO-SECBINFHSA-N -1 3 359.797 3.188 20 0 FGADHM O=C(c1c[n-]c2ccc(Br)cc2c1=O)N1C[C@@H]2CCC[C@H]2C1 ZINC000408192916 499579733 /nfs/dbraw/zinc/57/97/33/499579733.db2.gz AZFLVDAWXNXNBK-QWRGUYRKSA-N -1 3 361.239 3.163 20 0 FGADHM CC1(C)[C@@H]2CN(C(=O)c3c[n-]c4ccc(Br)cc4c3=O)C[C@@H]21 ZINC000408437924 499588621 /nfs/dbraw/zinc/58/86/21/499588621.db2.gz 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FGADHM CCOc1ccc([C@H](C)NC(=O)c2ccc(C(C)=O)c([O-])c2)cc1OC ZINC000411389335 499733011 /nfs/dbraw/zinc/73/30/11/499733011.db2.gz MBURQQUKXUUCBY-LBPRGKRZSA-N -1 3 357.406 3.493 20 0 FGADHM O=C(c1cc([O-])ccc1Cl)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000377870078 499743732 /nfs/dbraw/zinc/74/37/32/499743732.db2.gz SEESLQKRWRDFTQ-UHFFFAOYSA-N -1 3 364.873 3.300 20 0 FGADHM COC[C@@H](NCc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[n-]1)C1CC1 ZINC000411485118 499746751 /nfs/dbraw/zinc/74/67/51/499746751.db2.gz ZQLIXOFSBPMBHZ-OAHLLOKOSA-N -1 3 373.453 3.305 20 0 FGADHM Cc1csc([C@@H]([N-]S(=O)(=O)C[C@@H](C)COC2CCCC2)C2CC2)n1 ZINC000582206886 506158381 /nfs/dbraw/zinc/15/83/81/506158381.db2.gz AUKTTYCXLAXJQV-LRDDRELGSA-N -1 3 372.556 3.417 20 0 FGADHM C[C@@]1(CO)CCC[C@H]1NCc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000411598509 499767594 /nfs/dbraw/zinc/76/75/94/499767594.db2.gz AJWXSKAQMPTDOT-ACJLOTCBSA-N -1 3 359.451 3.298 20 0 FGADHM COCCN(CCCc1ccccc1)C(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000411701290 499780093 /nfs/dbraw/zinc/78/00/93/499780093.db2.gz RPIDKZKGLBSMAD-UHFFFAOYSA-N -1 3 355.434 3.316 20 0 FGADHM COC(=O)c1cc2cccc(-n3c(=O)[nH]c(CC(F)(F)F)c3[O-])c2s1 ZINC000414372866 499782722 /nfs/dbraw/zinc/78/27/22/499782722.db2.gz YJEHBMQRFPXHFE-MRVPVSSYSA-N -1 3 372.324 3.065 20 0 FGADHM COC(C)(C)CS(=O)(=O)[N-]c1cccc(OCC(F)(F)F)c1C ZINC000414383032 499784029 /nfs/dbraw/zinc/78/40/29/499784029.db2.gz QFTJCUATJGNVDO-UHFFFAOYSA-N -1 3 355.378 3.103 20 0 FGADHM COC(=O)[C@@H](C)c1cccc([N-]S(=O)(=O)c2ccc(OC)c(C)c2)c1 ZINC000414391638 499785392 /nfs/dbraw/zinc/78/53/92/499785392.db2.gz DCUIDFRBDJXSRK-ZDUSSCGKSA-N -1 3 363.435 3.081 20 0 FGADHM Cc1cc([N-]S(=O)(=O)c2cccc(F)c2F)ccc1OCCN(C)C ZINC000414390794 499785670 /nfs/dbraw/zinc/78/56/70/499785670.db2.gz YVLUANOHBRCSCX-UHFFFAOYSA-N -1 3 370.421 3.014 20 0 FGADHM COc1ccc(CN[C@@H](C)[C@](C)(OC)C2CC2)c(Br)c1[O-] ZINC000414497161 499799479 /nfs/dbraw/zinc/79/94/79/499799479.db2.gz FIYVKWFHYAMPNC-QFYYESIMSA-N -1 3 358.276 3.457 20 0 FGADHM CCN(Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[n-]1)C1CC(C)(C)C1 ZINC000412037888 499815649 /nfs/dbraw/zinc/81/56/49/499815649.db2.gz ODFFAHIOTBPXKO-UHFFFAOYSA-N -1 3 363.483 3.090 20 0 FGADHM COc1ccc(C2(NCc3cccc(C(=O)[O-])c3)CCOCC2)cc1F ZINC000414640072 499816481 /nfs/dbraw/zinc/81/64/81/499816481.db2.gz QXCGDHZOBZJIKT-UHFFFAOYSA-N -1 3 359.397 3.328 20 0 FGADHM CC[C@H](CN[C@H]1CCN([C@@H](C(=O)[O-])c2ccccc2)C1=O)c1ccccc1 ZINC000414649330 499817018 /nfs/dbraw/zinc/81/70/18/499817018.db2.gz DVOCNCIMECBPIL-LSTHTHJFSA-N -1 3 366.461 3.197 20 0 FGADHM CC[C@H](Cc1ccccc1)N[C@@H]1CCN([C@@H](C(=O)[O-])c2ccccc2)C1=O ZINC000414659671 499818042 /nfs/dbraw/zinc/81/80/42/499818042.db2.gz OGKDSAMXQUDALJ-VAMGGRTRSA-N -1 3 366.461 3.024 20 0 FGADHM CCCc1cccc(CN[C@H]2CCN([C@@H](C(=O)[O-])c3ccccc3)C2=O)c1 ZINC000414663290 499818474 /nfs/dbraw/zinc/81/84/74/499818474.db2.gz SCOYHAAJGTXJHG-VQTJNVASSA-N -1 3 366.461 3.156 20 0 FGADHM CC(C)C[C@H](CN[C@H]1CCN([C@@H](C(=O)[O-])C(C)C)C1=O)c1ccccc1 ZINC000414665550 499818647 /nfs/dbraw/zinc/81/86/47/499818647.db2.gz UOWBCKZCMJQETM-CEXWTWQISA-N -1 3 360.498 3.116 20 0 FGADHM CC(=O)c1ccc(C(=O)NCc2nc3ccccc3n2C(C)C)cc1[O-] ZINC000412117049 499825120 /nfs/dbraw/zinc/82/51/20/499825120.db2.gz IANPABIZFDKFLQ-UHFFFAOYSA-N -1 3 351.406 3.455 20 0 FGADHM C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)c2c[n-]c3ccncc3c2=O)C1 ZINC000412141854 499827421 /nfs/dbraw/zinc/82/74/21/499827421.db2.gz ACEWKLRZYHFMHQ-KZULUSFZSA-N -1 3 351.381 3.286 20 0 FGADHM COC(=O)c1sc([N-]C(=O)c2cnc(C(C)=O)s2)nc1C(C)(C)C ZINC000412168572 499829847 /nfs/dbraw/zinc/82/98/47/499829847.db2.gz PZJVVKMGJRPGMH-UHFFFAOYSA-N -1 3 367.452 3.139 20 0 FGADHM CC(=O)c1ccc(C(=O)N(CCc2ccccc2)[C@@H]2CCOC2)cc1[O-] ZINC000412197295 499832856 /nfs/dbraw/zinc/83/28/56/499832856.db2.gz VFJIBOYLGBCBMJ-GOSISDBHSA-N -1 3 353.418 3.069 20 0 FGADHM Cc1ccc(CN2CCCC2)cc1NC(=O)c1c[n-]c2ccncc2c1=O ZINC000412202947 499833705 /nfs/dbraw/zinc/83/37/05/499833705.db2.gz JNHNPZIIHYRSTQ-UHFFFAOYSA-N -1 3 362.433 3.080 20 0 FGADHM Cc1cncn1C1CCN(C(=O)c2c[n-]c3c(Cl)cccc3c2=O)CC1 ZINC000412259335 499839147 /nfs/dbraw/zinc/83/91/47/499839147.db2.gz QILIANRCOZEPEL-UHFFFAOYSA-N -1 3 370.840 3.164 20 0 FGADHM CCCC[C@@H](CN)NC(=O)N=c1[n-]nc(-c2c(F)cccc2Cl)s1 ZINC000415512249 499897833 /nfs/dbraw/zinc/89/78/33/499897833.db2.gz SRDKVNVERBBSIG-VIFPVBQESA-N -1 3 371.869 3.059 20 0 FGADHM COc1c(=O)[n-]c(=O)[nH]c1C(=O)Nc1ccc(OCC2CCCCC2)cc1 ZINC000416146113 499958366 /nfs/dbraw/zinc/95/83/66/499958366.db2.gz SZWMHTCZYGLJOU-UHFFFAOYSA-N -1 3 373.409 3.108 20 0 FGADHM Cc1cccnc1C(C)(C)C[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000579411138 506167019 /nfs/dbraw/zinc/16/70/19/506167019.db2.gz MNTDBNAYUOELQV-UHFFFAOYSA-N -1 3 356.850 3.439 20 0 FGADHM CO[C@H](Cc1ccccc1)CS(=O)(=O)[N-]c1cccc(SC)c1 ZINC000421140770 499969773 /nfs/dbraw/zinc/96/97/73/499969773.db2.gz NLNIBFMHBHRXBI-MRXNPFEDSA-N -1 3 351.493 3.408 20 0 FGADHM CC[C@H](CS(=O)(=O)[N-]c1cc(-c2cncc(F)c2)ccc1C)OC ZINC000421145576 499971282 /nfs/dbraw/zinc/97/12/82/499971282.db2.gz AISIMOWYYGYUNM-MRXNPFEDSA-N -1 3 352.431 3.363 20 0 FGADHM CCC(=O)c1cccc([N-]S(=O)(=O)C[C@H](Cc2ccccc2)OC)c1 ZINC000421145294 499971359 /nfs/dbraw/zinc/97/13/59/499971359.db2.gz CXHKKIIRFDAKOK-SFHVURJKSA-N -1 3 361.463 3.279 20 0 FGADHM CCn1ncc2ccc([N-]S(=O)(=O)C[C@@H](Cc3ccccc3)OC)cc21 ZINC000421153957 499974601 /nfs/dbraw/zinc/97/46/01/499974601.db2.gz MGHYQXOOBRJHKX-GOSISDBHSA-N -1 3 373.478 3.056 20 0 FGADHM CCCN1Cc2cccc([N-]S(=O)(=O)C[C@@H](CC(C)C)OC)c2C1 ZINC000421158557 499976138 /nfs/dbraw/zinc/97/61/38/499976138.db2.gz SIWWEJCASLUMQV-MRXNPFEDSA-N -1 3 354.516 3.215 20 0 FGADHM CCc1cc(Br)ccc1[N-]S(=O)(=O)C[C@H](CC)OC ZINC000421160386 499977295 /nfs/dbraw/zinc/97/72/95/499977295.db2.gz VQRUPMJDLPLKBY-LBPRGKRZSA-N -1 3 350.278 3.178 20 0 FGADHM CCC(=O)Nc1ccc(C)c([N-]S(=O)(=O)C[C@H](CC(C)C)OC)c1 ZINC000421160546 499977650 /nfs/dbraw/zinc/97/76/50/499977650.db2.gz YPUWVKPXWMKHAK-HNNXBMFYSA-N -1 3 356.488 3.146 20 0 FGADHM CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1cccc(OCC(F)(F)F)c1 ZINC000421161118 499977749 /nfs/dbraw/zinc/97/77/49/499977749.db2.gz ZQRXLVFUSQJMRC-CQSZACIVSA-N -1 3 369.405 3.431 20 0 FGADHM CC[C@@H](CS(=O)(=O)[N-]c1ccc(-c2cn3c(n2)CCCC3)cc1)OC ZINC000421226695 499995929 /nfs/dbraw/zinc/99/59/29/499995929.db2.gz NDCATXCZVZFRKG-INIZCTEOSA-N -1 3 363.483 3.053 20 0 FGADHM C[C@@H]1CCN(C(=O)Cc2csc(NC(=O)c3cccc([O-])c3)n2)[C@H](C)C1 ZINC000425037371 500002104 /nfs/dbraw/zinc/00/21/04/500002104.db2.gz RQBDGQNNQPSSLG-CHWSQXEVSA-N -1 3 373.478 3.291 20 0 FGADHM C[C@@H]1CCCN(C(=O)Cc2ccc([O-])c(F)c2)[C@@H]1C(=O)OC(C)(C)C ZINC000425058851 500008651 /nfs/dbraw/zinc/00/86/51/500008651.db2.gz YKWCLKPXMALJOZ-PXAZEXFGSA-N -1 3 351.418 3.043 20 0 FGADHM O=C(c1c[n-]c2ccc(Br)cc2c1=O)N1CC(CC(F)F)C1 ZINC000425082971 500014842 /nfs/dbraw/zinc/01/48/42/500014842.db2.gz OBTLARIMYPKXAD-UHFFFAOYSA-N -1 3 371.181 3.018 20 0 FGADHM COCc1cc(C[N-]S(=O)(=O)c2c(F)cc(C)cc2F)ccc1F ZINC000425219848 500046604 /nfs/dbraw/zinc/04/66/04/500046604.db2.gz SUPKWYRBPMQNLJ-UHFFFAOYSA-N -1 3 359.369 3.037 20 0 FGADHM Cc1nn(C)c(S(=O)(=O)[N-]C[C@@H]2CCCCC(F)(F)C2)c1C(F)F ZINC000416482190 500051017 /nfs/dbraw/zinc/05/10/17/500051017.db2.gz FCEVJGALYJXLLE-SNVBAGLBSA-N -1 3 371.400 3.160 20 0 FGADHM Cc1nccn1CCCN(C)c1ccc(=N[C@H](C)c2ccccc2)[n-]n1 ZINC000425237631 500052709 /nfs/dbraw/zinc/05/27/09/500052709.db2.gz LWJNXYMWNGSLKN-MRXNPFEDSA-N -1 3 350.470 3.103 20 0 FGADHM CC1(C)C[C@@H](C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CCO1 ZINC000416503519 500053648 /nfs/dbraw/zinc/05/36/48/500053648.db2.gz QECRWJDJXSDQNT-JTQLQIEISA-N -1 3 352.283 3.477 20 0 FGADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@@]1(C)CC=CCC1 ZINC000416554397 500061722 /nfs/dbraw/zinc/06/17/22/500061722.db2.gz FZJJABNBBRGWQE-KRWDZBQOSA-N -1 3 365.476 3.465 20 0 FGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@H]2CS[C@@H](C)C2)cc1Cl ZINC000416601717 500071375 /nfs/dbraw/zinc/07/13/75/500071375.db2.gz WIBMIIPQTCRMGU-JGVFFNPUSA-N -1 3 356.296 3.174 20 0 FGADHM COc1cc(Cl)c(S(=O)(=O)[N-]C(C)(C)COC(C)C)cc1Cl ZINC000416627316 500075050 /nfs/dbraw/zinc/07/50/50/500075050.db2.gz VBDFLQDGVYHCSX-UHFFFAOYSA-N -1 3 370.298 3.484 20 0 FGADHM CC1(C)CC(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Br)C1 ZINC000421679050 500113664 /nfs/dbraw/zinc/11/36/64/500113664.db2.gz GXRRYUPJTRRLLI-UHFFFAOYSA-N -1 3 354.170 3.005 20 0 FGADHM C[C@H](CCC(=O)[O-])CNCc1ccc(F)cc1I ZINC000417575595 500114260 /nfs/dbraw/zinc/11/42/60/500114260.db2.gz YJFXVPHQCHADMC-SECBINFHSA-N -1 3 365.186 3.021 20 0 FGADHM Cn1[n-]c(=NC(=O)NC2(c3ccccc3)CCCCC2)cc1OC(F)F ZINC000429625382 500114433 /nfs/dbraw/zinc/11/44/33/500114433.db2.gz CJVKIFWKEDSIDA-UHFFFAOYSA-N -1 3 364.396 3.425 20 0 FGADHM CCCC1(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Br)CC1 ZINC000421681348 500115323 /nfs/dbraw/zinc/11/53/23/500115323.db2.gz HBXFQPNWHFRULP-UHFFFAOYSA-N -1 3 354.170 3.149 20 0 FGADHM CCC[C@H](NC(=O)N=c1cc(OC(F)F)n(C)[n-]1)c1ccc(F)cc1F ZINC000429635815 500116029 /nfs/dbraw/zinc/11/60/29/500116029.db2.gz QCVSQOGGWNXPLY-LBPRGKRZSA-N -1 3 374.338 3.385 20 0 FGADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Br)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000421683607 500116287 /nfs/dbraw/zinc/11/62/87/500116287.db2.gz UKIXYKGOMHITBS-MBTKJCJQSA-N -1 3 366.181 3.005 20 0 FGADHM COc1ccc([C@H](CCC(=O)[O-])NCc2cnc(C(C)(C)C)nc2)cc1 ZINC000417584699 500117082 /nfs/dbraw/zinc/11/70/82/500117082.db2.gz YFWBJDPFRTYZEO-KRWDZBQOSA-N -1 3 357.454 3.478 20 0 FGADHM COc1cc(Br)ccc1CN[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C ZINC000417593567 500120273 /nfs/dbraw/zinc/12/02/73/500120273.db2.gz ZQJALXANOLQWLV-YGRLFVJLSA-N -1 3 374.275 3.204 20 0 FGADHM Cc1ccc2c(CN[C@@](C)(C(N)=O)c3cccc(Cl)c3)ccc([O-])c2n1 ZINC000429679291 500122807 /nfs/dbraw/zinc/12/28/07/500122807.db2.gz FLMMGPGNPHTRLP-HXUWFJFHSA-N -1 3 369.852 3.393 20 0 FGADHM Cc1ccc(-c2ccc(CNC[C@@H](Cc3cnn(C)c3)C(=O)[O-])o2)cc1 ZINC000417616533 500125806 /nfs/dbraw/zinc/12/58/06/500125806.db2.gz AZPAYLULCHJIHH-QGZVFWFLSA-N -1 3 353.422 3.022 20 0 FGADHM CC(C)(C)OC(=O)CC[C@@H](NCc1cc2cc(F)ccc2o1)C(=O)[O-] ZINC000417624837 500128666 /nfs/dbraw/zinc/12/86/66/500128666.db2.gz ORVSDFQEXPHCIE-CQSZACIVSA-N -1 3 351.374 3.237 20 0 FGADHM O=C([O-])CSCCNCc1cc(Br)cc(C(F)(F)F)c1 ZINC000417628736 500129286 /nfs/dbraw/zinc/12/92/86/500129286.db2.gz WKZVENIZILTBSI-UHFFFAOYSA-N -1 3 372.206 3.375 20 0 FGADHM O=C([O-])[C@@H]1C=C[C@@H](NCc2cc(Cl)ccc2OC[C@H]2CCCO2)C1 ZINC000417631039 500130932 /nfs/dbraw/zinc/13/09/32/500130932.db2.gz YSFWYVGMWFVFNK-DAXOMENPSA-N -1 3 351.830 3.017 20 0 FGADHM Cc1nn(C)cc1CN[C@@H](c1ccc(Br)cc1)[C@@H](C)C(=O)[O-] ZINC000417635876 500132100 /nfs/dbraw/zinc/13/21/00/500132100.db2.gz FXLPHCLRCLTKLL-MEBBXXQBSA-N -1 3 366.259 3.043 20 0 FGADHM CO[C@@H](CNCc1cc(C(F)(F)F)ccc1Br)CC(=O)[O-] ZINC000417637109 500132657 /nfs/dbraw/zinc/13/26/57/500132657.db2.gz MQOVFUGCZBYULP-SNVBAGLBSA-N -1 3 370.165 3.047 20 0 FGADHM Cc1ccc(C[C@H](NCc2cccc3c2OCCCO3)C(=O)[O-])cc1C ZINC000417646022 500136587 /nfs/dbraw/zinc/13/65/87/500136587.db2.gz BZGUMTWDSZTAOX-SFHVURJKSA-N -1 3 355.434 3.250 20 0 FGADHM 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O=C(Nc1ccc(Cc2nnn[n-]2)cc1)C1CCC(C(F)(F)F)CC1 ZINC000444298104 500831272 /nfs/dbraw/zinc/83/12/72/500831272.db2.gz VRIQUHOOTZRDGZ-UHFFFAOYSA-N -1 3 353.348 3.098 20 0 FGADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)C1CCC(C(F)(F)F)CC1 ZINC000444298104 500831273 /nfs/dbraw/zinc/83/12/73/500831273.db2.gz VRIQUHOOTZRDGZ-UHFFFAOYSA-N -1 3 353.348 3.098 20 0 FGADHM O=C(c1c[n-]c2c(OC(F)(F)F)cccc2c1=O)N1CCC12CCC2 ZINC000444299069 500831651 /nfs/dbraw/zinc/83/16/51/500831651.db2.gz RJZRRMSQZGABBT-UHFFFAOYSA-N -1 3 352.312 3.195 20 0 FGADHM CCn1c(=O)[n-]nc1S[C@@H](C(=O)OC)c1cc(Cl)cc(Cl)c1 ZINC000438898096 500833111 /nfs/dbraw/zinc/83/31/11/500833111.db2.gz WHXUESYFGREUDQ-SNVBAGLBSA-N -1 3 362.238 3.317 20 0 FGADHM O=C(Cc1ccc([O-])c(F)c1)Nc1ccccc1CN1CCSCC1 ZINC000448828325 500845672 /nfs/dbraw/zinc/84/56/72/500845672.db2.gz LUKKCUBTGGVCDQ-UHFFFAOYSA-N -1 3 360.454 3.261 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)Nc2cc3[nH]ccc3cc2C)c([O-])c1 ZINC000444445987 500848162 /nfs/dbraw/zinc/84/81/62/500848162.db2.gz DUIKJGGNSFZLMX-UHFFFAOYSA-N -1 3 351.406 3.249 20 0 FGADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N[C@H]3CC[C@@H](C)C3)cs2)c1 ZINC000444484659 500852835 /nfs/dbraw/zinc/85/28/35/500852835.db2.gz PDWGJPXULQRAKZ-YPMHNXCESA-N -1 3 373.478 3.257 20 0 FGADHM O=C(NC[C@]1(O)CCC[C@@H](C(F)(F)F)C1)c1ccc2c(c1[O-])CCCC2 ZINC000444489927 500853396 /nfs/dbraw/zinc/85/33/96/500853396.db2.gz KBEKXAWVCROEMD-ACJLOTCBSA-N -1 3 371.399 3.484 20 0 FGADHM O=C(Cc1ccc([O-])c(F)c1)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000448880558 500859363 /nfs/dbraw/zinc/85/93/63/500859363.db2.gz DXWRBXHIACEHLD-KRWDZBQOSA-N -1 3 367.779 3.466 20 0 FGADHM CC(C)(C)[C@H]1CN(C(=O)CNC(=O)c2cccc([O-])c2)c2ccccc21 ZINC000444640758 500872131 /nfs/dbraw/zinc/87/21/31/500872131.db2.gz SMUOCPVVOGIXHH-KRWDZBQOSA-N -1 3 352.434 3.299 20 0 FGADHM Cc1cccc(Cl)c1C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000448980353 500885853 /nfs/dbraw/zinc/88/58/53/500885853.db2.gz AEYGMBHSOSXRAV-UHFFFAOYSA-N -1 3 372.852 3.389 20 0 FGADHM C[C@H](NC(=O)CCc1ccc2ccccc2c1[O-])C(=O)N1CCCC[C@H]1C ZINC000448983359 500886620 /nfs/dbraw/zinc/88/66/20/500886620.db2.gz ZWGZJJLRWDLKFW-CVEARBPZSA-N -1 3 368.477 3.384 20 0 FGADHM C[C@H]1C[C@H](c2ccccc2)CCN1C(=O)N=c1cc(OC(F)F)n(C)[n-]1 ZINC000439377206 500890206 /nfs/dbraw/zinc/89/02/06/500890206.db2.gz HFPCXCBFCOEZQL-GXTWGEPZSA-N -1 3 364.396 3.243 20 0 FGADHM O=S(=O)([N-]C[C@@H]1CCCCN1C1CC1)c1c(Cl)cccc1Cl ZINC000434764841 500891018 /nfs/dbraw/zinc/89/10/18/500891018.db2.gz JZMCPHUEFGPZGD-LBPRGKRZSA-N -1 3 363.310 3.289 20 0 FGADHM Fc1ccccc1CN=c1cc(NCc2ccccc2F)n2[n-]cnc2n1 ZINC000439579357 500915823 /nfs/dbraw/zinc/91/58/23/500915823.db2.gz ZWFYEUDMNYXBSZ-UHFFFAOYSA-N -1 3 366.375 3.049 20 0 FGADHM CCO[C@@H](C[N-]S(=O)(=O)c1cnccc1C(F)(F)F)c1ccccc1 ZINC000444976169 500928558 /nfs/dbraw/zinc/92/85/58/500928558.db2.gz UTTJMQPIUCYXRU-AWEZNQCLSA-N -1 3 374.384 3.157 20 0 FGADHM CC[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000435227517 500946260 /nfs/dbraw/zinc/94/62/60/500946260.db2.gz UFMDRPHOSPAQBY-BXKDBHETSA-N -1 3 350.253 3.445 20 0 FGADHM C[C@@H](NC(=O)Cc1noc(Cc2ccc([O-])cc2Cl)n1)c1ccccc1 ZINC000445283135 500965663 /nfs/dbraw/zinc/96/56/63/500965663.db2.gz OFWZAQALWCTOHR-GFCCVEGCSA-N -1 3 371.824 3.439 20 0 FGADHM Cc1cccc(-c2nc(CC(=O)Nc3cccc4ncccc43)no2)c1[O-] ZINC000445288260 500966920 /nfs/dbraw/zinc/96/69/20/500966920.db2.gz LMHJFAHPXOJXLD-UHFFFAOYSA-N -1 3 360.373 3.480 20 0 FGADHM CCCC(=O)N1CCC(c2nc(-c3ccc([O-])c(OCC)c3)no2)CC1 ZINC000445425521 500983700 /nfs/dbraw/zinc/98/37/00/500983700.db2.gz DDKOEWUAFQNXKV-UHFFFAOYSA-N -1 3 359.426 3.347 20 0 FGADHM CCOc1cc(-c2noc([C@@H](C)NC(=O)c3cccs3)n2)ccc1[O-] ZINC000445427840 500984066 /nfs/dbraw/zinc/98/40/66/500984066.db2.gz SEQPODOYDRUJOB-SNVBAGLBSA-N -1 3 359.407 3.393 20 0 FGADHM CCOc1cc(-c2noc(-c3cc(S(C)(=O)=O)ccc3C)n2)ccc1[O-] ZINC000445428917 500984398 /nfs/dbraw/zinc/98/43/98/500984398.db2.gz YPUBVEPEYRGLCU-UHFFFAOYSA-N -1 3 374.418 3.220 20 0 FGADHM CCOc1cc(-c2noc(-c3ccc(OCCCOC)nc3)n2)ccc1[O-] ZINC000445428584 500984680 /nfs/dbraw/zinc/98/46/80/500984680.db2.gz WZWHHQBVLHJKPI-UHFFFAOYSA-N -1 3 371.393 3.318 20 0 FGADHM CC(C)(c1noc(-c2ccc([N-]S(C)(=O)=O)cc2)n1)c1ccccc1 ZINC000445485685 500993878 /nfs/dbraw/zinc/99/38/78/500993878.db2.gz BVPPLXJNOVVPGO-UHFFFAOYSA-N -1 3 357.435 3.434 20 0 FGADHM CSc1ccc(CC[N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)cc1 ZINC000435601900 501000130 /nfs/dbraw/zinc/00/01/30/501000130.db2.gz AEHLPDLCONIKOA-UHFFFAOYSA-N -1 3 361.410 3.347 20 0 FGADHM CC(C)(NCc1cc([O-])ccc1Br)c1nnc2n1CCCC2 ZINC000449464186 501009441 /nfs/dbraw/zinc/00/94/41/501009441.db2.gz XXSFJHZQAJMRRH-UHFFFAOYSA-N -1 3 365.275 3.107 20 0 FGADHM CCc1[n-][nH]c(=NC(=O)c2ccccc2F)c1-c1ccc2c(c1)OCO2 ZINC000440476398 501012263 /nfs/dbraw/zinc/01/22/63/501012263.db2.gz VLRIGVDJJGTWIT-UHFFFAOYSA-N -1 3 353.353 3.181 20 0 FGADHM C[C@@H](CNC(=O)c1ccccc1[O-])Oc1ccc(Br)cc1 ZINC000440474939 501012300 /nfs/dbraw/zinc/01/23/00/501012300.db2.gz CUMKMYLNLCXOHB-NSHDSACASA-N -1 3 350.212 3.352 20 0 FGADHM Cc1ccsc1C(=O)N=c1[nH][n-]c(C)c1-c1ccc2c(c1)OCCO2 ZINC000435712924 501015869 /nfs/dbraw/zinc/01/58/69/501015869.db2.gz HWGKKZCMNUBBQA-UHFFFAOYSA-N -1 3 355.419 3.200 20 0 FGADHM CC(C)(C)OC(=O)CCSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000440542920 501021472 /nfs/dbraw/zinc/02/14/72/501021472.db2.gz IIEFOTJDJSSFSM-UHFFFAOYSA-N -1 3 372.450 3.345 20 0 FGADHM COc1ccc(CC(C)(C)[N-]S(=O)(=O)c2cncc(Cl)c2)cc1 ZINC000445747616 501027843 /nfs/dbraw/zinc/02/78/43/501027843.db2.gz IRJOQXNBBYJFSO-UHFFFAOYSA-N -1 3 354.859 3.043 20 0 FGADHM COc1ccc(CN2CC[C@@H]3C[C@@H](O)CC[C@H]3C2)c(Br)c1[O-] ZINC000449552362 501031289 /nfs/dbraw/zinc/03/12/89/501031289.db2.gz IVCYVEQJTSBLHC-DYEKYZERSA-N -1 3 370.287 3.146 20 0 FGADHM CCCn1c(=O)[n-]c(=O)c2cc(-c3nc(C4(CC)CCCC4)no3)cnc21 ZINC000445801430 501034467 /nfs/dbraw/zinc/03/44/67/501034467.db2.gz GLDWOEIYSOWVIW-UHFFFAOYSA-N -1 3 369.425 3.179 20 0 FGADHM Cc1cccn2cc(CN3CCC(C(=O)Nc4ccccc4[O-])CC3)nc12 ZINC000607693491 506230936 /nfs/dbraw/zinc/23/09/36/506230936.db2.gz SBGDRAYQEGMRRP-UHFFFAOYSA-N -1 3 364.449 3.199 20 0 FGADHM COc1ccc(CN(C)[C@@H](CO)CC(C)(C)C)c(Br)c1[O-] ZINC000449592505 501039762 /nfs/dbraw/zinc/03/97/62/501039762.db2.gz YPBPEIRYWHOHMP-GFCCVEGCSA-N -1 3 360.292 3.392 20 0 FGADHM CSC1(C[N-]S(=O)(=O)c2sc(C)cc2Br)CCC1 ZINC000435930104 501048182 /nfs/dbraw/zinc/04/81/82/501048182.db2.gz VWXLZVVWKIZIPU-UHFFFAOYSA-N -1 3 370.359 3.383 20 0 FGADHM [O-]c1cccc(/C=C/c2nc(-c3ccc(CN4CCOCC4)cc3)no2)c1 ZINC000435949586 501050145 /nfs/dbraw/zinc/05/01/45/501050145.db2.gz SKBCDHAAKYRVEF-RMKNXTFCSA-N -1 3 363.417 3.445 20 0 FGADHM CSc1ccccc1S(=O)(=O)[N-]c1cc2c(cc1F)CCC(=O)N2 ZINC000436019505 501058082 /nfs/dbraw/zinc/05/80/82/501058082.db2.gz WPZUDWPMJZIGQM-UHFFFAOYSA-N -1 3 366.439 3.233 20 0 FGADHM O=C(NCCCNC(=O)[C@@H]1C[C@H]1c1ccccc1Cl)c1cccc([O-])c1 ZINC000449836141 501102132 /nfs/dbraw/zinc/10/21/32/501102132.db2.gz RYOATAXXHCYWEJ-DLBZAZTESA-N -1 3 372.852 3.085 20 0 FGADHM Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NC(=O)Cc1ccc([O-])c(F)c1 ZINC000450471999 501129297 /nfs/dbraw/zinc/12/92/97/501129297.db2.gz WBPUIXXYEMOEAP-SECBINFHSA-N -1 3 373.350 3.327 20 0 FGADHM CCN(CC(=O)Nc1c(C)cccc1C)C(=O)Cc1ccc([O-])c(F)c1 ZINC000449950965 501135361 /nfs/dbraw/zinc/13/53/61/501135361.db2.gz GPNJXDBQKQBMKM-UHFFFAOYSA-N -1 3 358.413 3.178 20 0 FGADHM CCOc1ccccc1CN1CCN(C(=O)c2cccc(C)c2[O-])[C@H](C)C1 ZINC000441447022 501140623 /nfs/dbraw/zinc/14/06/23/501140623.db2.gz LWHOLOMEFAJXPJ-QGZVFWFLSA-N -1 3 368.477 3.446 20 0 FGADHM CC(C)c1ccc(C(=O)N(C)C[C@H](O)COCc2ccccc2)c([O-])c1 ZINC000436510565 501143916 /nfs/dbraw/zinc/14/39/16/501143916.db2.gz DSTNDDZMNKXMTP-SFHVURJKSA-N -1 3 357.450 3.165 20 0 FGADHM CSc1ccc(-c2nsc([N-]C(=O)c3cn(C(C)C)nn3)n2)cc1 ZINC000449986245 501146151 /nfs/dbraw/zinc/14/61/51/501146151.db2.gz GIAPXSUXBDBUGK-UHFFFAOYSA-N -1 3 360.468 3.352 20 0 FGADHM Cc1ccc(C(=O)N2CCN(C(=O)CCCc3ccccc3)CC2)c([O-])c1 ZINC000436535714 501149684 /nfs/dbraw/zinc/14/96/84/501149684.db2.gz OHTYJURPKDQZLQ-UHFFFAOYSA-N -1 3 366.461 3.008 20 0 FGADHM C[C@](NC(=O)c1cc(Cc2ccccc2)ccc1[O-])(C(N)=O)c1ccccc1 ZINC000436539343 501151166 /nfs/dbraw/zinc/15/11/66/501151166.db2.gz OBYVOYFPEIQXDU-HSZRJFAPSA-N -1 3 374.440 3.114 20 0 FGADHM COC(=O)CN(Cc1ccc(Cl)cc1)C(=O)c1ccc(C)c(C)c1[O-] ZINC000436540708 501151984 /nfs/dbraw/zinc/15/19/84/501151984.db2.gz ZTQGOBXKJAJGCJ-UHFFFAOYSA-N -1 3 361.825 3.478 20 0 FGADHM Cc1ccc(C(=O)N[C@H](CN2CCCC2=O)c2ccccc2)c([O-])c1C ZINC000436544990 501152564 /nfs/dbraw/zinc/15/25/64/501152564.db2.gz FHWBRCIJOBPEJZ-GOSISDBHSA-N -1 3 352.434 3.103 20 0 FGADHM COC1CCN(C(C)(C)CNC(=O)c2cc3ccccc3cc2[O-])CC1 ZINC000436543791 501152770 /nfs/dbraw/zinc/15/27/70/501152770.db2.gz JMSUDFCTFHKGMM-UHFFFAOYSA-N -1 3 356.466 3.165 20 0 FGADHM CC(C)NC(=O)[C@@H]1CCC[C@@H](NC(=O)c2cc3c(cc2[O-])CCCC3)C1 ZINC000436544815 501153046 /nfs/dbraw/zinc/15/30/46/501153046.db2.gz KWSLCHWXTRYOKG-IAGOWNOFSA-N -1 3 358.482 3.084 20 0 FGADHM CC(C)c1ccc(C(=O)N2CSC[C@H]2C(=O)N[C@@H](C)C(C)C)c([O-])c1 ZINC000436546961 501153311 /nfs/dbraw/zinc/15/33/11/501153311.db2.gz PNSMEMAUUKZJEQ-BBRMVZONSA-N -1 3 364.511 3.191 20 0 FGADHM COC(=O)c1cc(-c2csc(NC(=O)c3cccc(C)c3[O-])n2)c[nH]1 ZINC000436559728 501157216 /nfs/dbraw/zinc/15/72/16/501157216.db2.gz YRIPKZASGJAVKD-UHFFFAOYSA-N -1 3 357.391 3.191 20 0 FGADHM CCN1CCN(C(=O)c2cc(OCc3ccccc3)ccc2[O-])[C@@H](C)C1 ZINC000436569661 501159724 /nfs/dbraw/zinc/15/97/24/501159724.db2.gz HKHZUYUIXRNRRN-INIZCTEOSA-N -1 3 354.450 3.137 20 0 FGADHM Cc1nn(C)c(C)c1CNC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436577802 501161395 /nfs/dbraw/zinc/16/13/95/501161395.db2.gz SPYZRPQSBQOWSP-UHFFFAOYSA-N -1 3 363.461 3.458 20 0 FGADHM O=C(N[C@H]1CCCN(C(=O)c2ccccc2[O-])C1)c1cc2ccccc2o1 ZINC000436583013 501162827 /nfs/dbraw/zinc/16/28/27/501162827.db2.gz FWAJEVVGXWZULB-HNNXBMFYSA-N -1 3 364.401 3.173 20 0 FGADHM C[S@@](=O)C[C@@H](NC(=O)c1cc2c(cc1[O-])CCCC2)c1ccccc1 ZINC000436588932 501164166 /nfs/dbraw/zinc/16/41/66/501164166.db2.gz JBWJGLHLVJFKCL-IQGLISFBSA-N -1 3 357.475 3.121 20 0 FGADHM CN(C(=O)c1cc(CCc2ccccc2)ccc1[O-])[C@H]1CCCN(C)C1 ZINC000436591748 501165165 /nfs/dbraw/zinc/16/51/65/501165165.db2.gz XYVOUAFCBYTZKP-IBGZPJMESA-N -1 3 352.478 3.344 20 0 FGADHM CC1(C)Cc2ccc(C(=O)N[C@H]3CCCC[C@@H]3n3cccn3)c([O-])c2O1 ZINC000436590378 501165336 /nfs/dbraw/zinc/16/53/36/501165336.db2.gz YNZRWSSUTBKXDH-HOTGVXAUSA-N -1 3 355.438 3.216 20 0 FGADHM O=C(Nc1nnc(CC(F)(F)F)s1)c1cc2c(cc1[O-])CCCC2 ZINC000436593388 501165833 /nfs/dbraw/zinc/16/58/33/501165833.db2.gz BANBPLSWAGYKDH-UHFFFAOYSA-N -1 3 357.357 3.480 20 0 FGADHM O=C(NCCCNC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1)c1cccc([O-])c1 ZINC000588218115 506237803 /nfs/dbraw/zinc/23/78/03/506237803.db2.gz DXNPOBZJKNEHSU-QZTJIDSGSA-N -1 3 372.852 3.085 20 0 FGADHM Cc1c(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)nnn1C ZINC000436611911 501169880 /nfs/dbraw/zinc/16/98/80/501169880.db2.gz ZOEJZKVUSPKWCO-UHFFFAOYSA-N -1 3 365.418 3.358 20 0 FGADHM CCOc1cc2c(cc1CNC(=O)c1ccc(C(C)=O)c([O-])c1)O[C@@H](C)C2 ZINC000436624168 501171944 /nfs/dbraw/zinc/17/19/44/501171944.db2.gz AMYVTOSZLQRJDC-LBPRGKRZSA-N -1 3 369.417 3.247 20 0 FGADHM COC(=O)c1ccsc1[N-]C(=O)C(=O)Nc1cc(SC)ccc1C ZINC000441803862 501173301 /nfs/dbraw/zinc/17/33/01/501173301.db2.gz TUUOVAJMJFMCOU-UHFFFAOYSA-N -1 3 364.448 3.142 20 0 FGADHM CC(=O)c1ccc(C(=O)N2CCO[C@@H](c3ccccc3Cl)C2)cc1[O-] ZINC000436629620 501173804 /nfs/dbraw/zinc/17/38/04/501173804.db2.gz LATWENZJHYXFKB-GOSISDBHSA-N -1 3 359.809 3.462 20 0 FGADHM CCOc1ccc(CCNC(=O)c2ccc([O-])c(OC)c2)cc1OCC ZINC000436633849 501174878 /nfs/dbraw/zinc/17/48/78/501174878.db2.gz CSNCCDUGANCXJY-UHFFFAOYSA-N -1 3 359.422 3.171 20 0 FGADHM C[C@H](Cc1cccc(Br)c1)NC(=O)c1c([O-])cccc1O ZINC000436645067 501176960 /nfs/dbraw/zinc/17/69/60/501176960.db2.gz AMBIGVJPEARMTL-SNVBAGLBSA-N -1 3 350.212 3.221 20 0 FGADHM O=C(N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1)c1ccccc1[O-] ZINC000436643801 501176997 /nfs/dbraw/zinc/17/69/97/501176997.db2.gz GJYIWPLVIXAKDQ-LBPRGKRZSA-N -1 3 366.339 3.300 20 0 FGADHM COc1ccc(Oc2cc(CNC(=O)c3c([O-])cccc3O)ccn2)cc1 ZINC000436647973 501177840 /nfs/dbraw/zinc/17/78/40/501177840.db2.gz OFZPRSGHEGPAFG-UHFFFAOYSA-N -1 3 366.373 3.224 20 0 FGADHM COC(=O)CCSCc1cccc(NC(=O)c2c([O-])cccc2O)c1 ZINC000436646046 501178206 /nfs/dbraw/zinc/17/82/06/501178206.db2.gz DXGVBMZHHMBPNU-UHFFFAOYSA-N -1 3 361.419 3.146 20 0 FGADHM Cc1ccc2c(c1)CN(C(=O)c1ccc3c(c1[O-])OC(C)(C)C3)CCO2 ZINC000436655662 501180656 /nfs/dbraw/zinc/18/06/56/501180656.db2.gz GQRSEZZYPAVACI-UHFFFAOYSA-N -1 3 353.418 3.449 20 0 FGADHM COC(=O)c1cc(CN(C)C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)oc1C ZINC000436671747 501183917 /nfs/dbraw/zinc/18/39/17/501183917.db2.gz AQUQYIDOAIDEAY-UHFFFAOYSA-N -1 3 373.405 3.066 20 0 FGADHM Cc1ccccc1C[C@@H](C)NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436669479 501184219 /nfs/dbraw/zinc/18/42/19/501184219.db2.gz LYJBBUJDTMLCOX-VQIMIIECSA-N -1 3 366.461 3.053 20 0 FGADHM COC(=O)CN(CCc1ccccc1)C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436673435 501184846 /nfs/dbraw/zinc/18/48/46/501184846.db2.gz OKJLQESWXZLXKP-UHFFFAOYSA-N -1 3 367.445 3.129 20 0 FGADHM CC(C)C[C@H](C(=O)NCCNC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436678100 501185840 /nfs/dbraw/zinc/18/58/40/501185840.db2.gz BAHCUKGVGDTNBZ-IBGZPJMESA-N -1 3 354.450 3.068 20 0 FGADHM C[C@H](Cc1ccccc1Br)NC(=O)c1ccc(O)cc1[O-] ZINC000436679840 501186968 /nfs/dbraw/zinc/18/69/68/501186968.db2.gz MIAKMGDKODTWQC-SNVBAGLBSA-N -1 3 350.212 3.221 20 0 FGADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3sccc3CN(C)C)cc2)n1 ZINC000446961610 501187270 /nfs/dbraw/zinc/18/72/70/501187270.db2.gz AOSAEWHVQHWKEF-UHFFFAOYSA-N -1 3 368.462 3.121 20 0 FGADHM Cc1cccc(C(=O)NCc2cn3cc(Br)ccc3n2)c1[O-] ZINC000436688484 501188724 /nfs/dbraw/zinc/18/87/24/501188724.db2.gz LGMRKTGCLUEEPY-UHFFFAOYSA-N -1 3 360.211 3.041 20 0 FGADHM Cc1ccc(C(=O)NCCc2nc(-c3cc(C)cc(C)c3)no2)c([O-])c1 ZINC000436688561 501188994 /nfs/dbraw/zinc/18/89/94/501188994.db2.gz LRHRGXBFWAIUHU-UHFFFAOYSA-N -1 3 351.406 3.340 20 0 FGADHM C[C@@H](NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2)c1ccc2n[nH]cc2c1 ZINC000436694275 501189836 /nfs/dbraw/zinc/18/98/36/501189836.db2.gz AEVZELAPFGADJZ-LLVKDONJSA-N -1 3 351.406 3.473 20 0 FGADHM Cc1cccc(NC(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)c1F ZINC000436699448 501191268 /nfs/dbraw/zinc/19/12/68/501191268.db2.gz RDGWNTJMTAZUSU-UHFFFAOYSA-N -1 3 371.412 3.266 20 0 FGADHM Cc1ccc(C(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCOCC2)c([O-])c1 ZINC000436712956 501194649 /nfs/dbraw/zinc/19/46/49/501194649.db2.gz PUJAUSOTGILLQK-SFHVURJKSA-N -1 3 374.868 3.157 20 0 FGADHM CC[C@H](C)c1nc([C@H](C)NC(=O)c2cc(Br)ccc2[O-])n[nH]1 ZINC000436728915 501198787 /nfs/dbraw/zinc/19/87/87/501198787.db2.gz DIXIILRWODCBLP-IUCAKERBSA-N -1 3 367.247 3.277 20 0 FGADHM COc1cccc(C(=O)Nc2nc3ccc(NC(C)=O)cc3s2)c1[O-] ZINC000436729341 501198985 /nfs/dbraw/zinc/19/89/85/501198985.db2.gz AQPSGIXGPSJYBW-UHFFFAOYSA-N -1 3 357.391 3.221 20 0 FGADHM COc1ccc(Cl)cc1CN(C)C(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000436734672 501199580 /nfs/dbraw/zinc/19/95/80/501199580.db2.gz KWRZAAGCZGCESD-UHFFFAOYSA-N -1 3 365.813 3.344 20 0 FGADHM Cc1ccc(C(=O)N2CCC(C(=O)Nc3ccccc3O)CC2)c([O-])c1C ZINC000436732590 501199916 /nfs/dbraw/zinc/19/99/16/501199916.db2.gz VEMXBIGAXXQJGN-UHFFFAOYSA-N -1 3 368.433 3.206 20 0 FGADHM C[C@@H](NC(=O)c1c([O-])cccc1O)c1ccc(Br)cc1F ZINC000436740953 501201992 /nfs/dbraw/zinc/20/19/92/501201992.db2.gz UHAUNZHWHNMRPK-MRVPVSSYSA-N -1 3 354.175 3.490 20 0 FGADHM O=C(NC[C@H]1CCC[C@@H](CO)C1)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436741210 501202622 /nfs/dbraw/zinc/20/26/22/501202622.db2.gz SKHZBZZCNCTFNI-ZWKOTPCHSA-N -1 3 369.461 3.500 20 0 FGADHM NC(=O)c1cccc(CNC(=O)c2cc(Oc3ccccc3)ccc2[O-])c1 ZINC000436759468 501206150 /nfs/dbraw/zinc/20/61/50/501206150.db2.gz BOTXGLGLYYMIKA-UHFFFAOYSA-N -1 3 362.385 3.213 20 0 FGADHM CC(C)c1ccc(C(=O)NCC(=O)N2CCCc3ccccc32)c([O-])c1 ZINC000436764211 501207707 /nfs/dbraw/zinc/20/77/07/501207707.db2.gz KEWWWTVVKSPKGG-UHFFFAOYSA-N -1 3 352.434 3.225 20 0 FGADHM CCOc1cc2c(cc1OCC)CN(C(=O)c1cccc(OC)c1[O-])CC2 ZINC000436768066 501207713 /nfs/dbraw/zinc/20/77/13/501207713.db2.gz VWWYTTQNLHXSIC-UHFFFAOYSA-N -1 3 371.433 3.397 20 0 FGADHM O=C(Cc1ccc([O-])c(F)c1)NCc1ccc(COC2CCOCC2)cc1 ZINC000450200326 501208422 /nfs/dbraw/zinc/20/84/22/501208422.db2.gz NUAVYERKGOURQF-UHFFFAOYSA-N -1 3 373.424 3.086 20 0 FGADHM C[C@H]1CCC[C@@H](CCNC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)C1 ZINC000436771026 501208806 /nfs/dbraw/zinc/20/88/06/501208806.db2.gz RSNNXWVHPYHZKY-IRXDYDNUSA-N -1 3 373.497 3.076 20 0 FGADHM Cc1ccc(C(=O)Nc2ccc(O[C@@H]3CCN(C)C3=O)cc2C)c([O-])c1C ZINC000436780037 501210228 /nfs/dbraw/zinc/21/02/28/501210228.db2.gz MOZZRYPSMYZOLP-GOSISDBHSA-N -1 3 368.433 3.179 20 0 FGADHM CCN(Cc1cccc(NC(=O)c2cc(OC)c([O-])c(OC)c2)c1)C(C)=O ZINC000436778383 501210290 /nfs/dbraw/zinc/21/02/90/501210290.db2.gz RHKPTKILWXHFCJ-UHFFFAOYSA-N -1 3 372.421 3.030 20 0 FGADHM CC1(C)Cc2ccc(C(=O)Nc3cc(C(F)(F)F)c[nH]c3=O)c([O-])c2O1 ZINC000436778022 501210364 /nfs/dbraw/zinc/21/03/64/501210364.db2.gz PISODDRCCUHVJQ-UHFFFAOYSA-N -1 3 368.311 3.477 20 0 FGADHM COc1cccc(C2=CCN(C(=O)c3cc(NC(C)=O)ccc3[O-])CC2)c1 ZINC000436784679 501211072 /nfs/dbraw/zinc/21/10/72/501211072.db2.gz BDVJXDAEHSKUMX-UHFFFAOYSA-N -1 3 366.417 3.289 20 0 FGADHM COc1cc(-c2noc(-c3ccc(OCC(F)(F)F)nc3)n2)ccc1[O-] ZINC000436786687 501211676 /nfs/dbraw/zinc/21/16/76/501211676.db2.gz FKDOOGUQFIDMQN-UHFFFAOYSA-N -1 3 367.283 3.454 20 0 FGADHM COc1cc(-c2noc(-c3cccc(NC(=O)NC4CC4)c3)n2)ccc1[O-] ZINC000436790685 501212121 /nfs/dbraw/zinc/21/21/21/501212121.db2.gz OUQPWIDNLLHKSV-UHFFFAOYSA-N -1 3 366.377 3.402 20 0 FGADHM COc1cccc(C(=O)N2CCN(Cc3ccc(Cl)cc3C)CC2)c1[O-] ZINC000436815771 501215811 /nfs/dbraw/zinc/21/58/11/501215811.db2.gz QBCSMPVMHXUNFV-UHFFFAOYSA-N -1 3 374.868 3.321 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@H](C)CCC2CC2)c1 ZINC000436822374 501216805 /nfs/dbraw/zinc/21/68/05/501216805.db2.gz UCVQCTHYTSCYAS-LLVKDONJSA-N -1 3 357.410 3.249 20 0 FGADHM O=C(c1c([O-])cccc1O)N1CCN(c2c(Cl)cccc2Cl)CC1 ZINC000436826032 501217184 /nfs/dbraw/zinc/21/71/84/501217184.db2.gz NDLRXMOIMAPBTP-UHFFFAOYSA-N -1 3 367.232 3.367 20 0 FGADHM CC(C)O[C@@H](CN1CCN(C(=O)c2ccc([O-])cc2)CC1)c1ccccc1 ZINC000436829309 501218153 /nfs/dbraw/zinc/21/81/53/501218153.db2.gz LIXDJKGWFAZVNR-NRFANRHFSA-N -1 3 368.477 3.316 20 0 FGADHM COc1cc(C)cc(-c2nc(-c3cn(Cc4ccccc4)nn3)no2)c1[O-] ZINC000436837345 501219152 /nfs/dbraw/zinc/21/91/52/501219152.db2.gz GBNFARRMUFVEIE-UHFFFAOYSA-N -1 3 363.377 3.066 20 0 FGADHM CCc1ccc(-c2nc(-c3cccc(NS(C)(=O)=O)c3)no2)c([O-])c1 ZINC000436838853 501219430 /nfs/dbraw/zinc/21/94/30/501219430.db2.gz MHRPBAPSWONCAW-UHFFFAOYSA-N -1 3 359.407 3.043 20 0 FGADHM COCCN(C(=O)c1cc(CCc2ccccc2)ccc1[O-])[C@H]1CCOC1 ZINC000436839702 501219609 /nfs/dbraw/zinc/21/96/09/501219609.db2.gz UXZHLKBEPVSTKM-IBGZPJMESA-N -1 3 369.461 3.055 20 0 FGADHM COc1cccc(C(=O)Nc2ccc(-n3nnnc3C(C)C)c(C)c2)c1[O-] ZINC000436843544 501220025 /nfs/dbraw/zinc/22/00/25/501220025.db2.gz INHXSIFCKNSITA-UHFFFAOYSA-N -1 3 367.409 3.061 20 0 FGADHM COc1ccc([O-])c(-c2nc(C(C)(C)NC(=O)c3ccccc3)no2)c1 ZINC000436881376 501226688 /nfs/dbraw/zinc/22/66/88/501226688.db2.gz NLTVVRRWTMENEA-UHFFFAOYSA-N -1 3 353.378 3.116 20 0 FGADHM COc1ccc([O-])c(-c2nc(CC(=O)Nc3ccc(Cl)cc3)no2)c1 ZINC000436895603 501229116 /nfs/dbraw/zinc/22/91/16/501229116.db2.gz XULNBZHVXSWUJA-UHFFFAOYSA-N -1 3 359.769 3.285 20 0 FGADHM O=c1[n-]nc(C2CCN(CCOc3ccc(C(F)(F)F)cc3)CC2)o1 ZINC000450915314 501229329 /nfs/dbraw/zinc/22/93/29/501229329.db2.gz PBJJBACVJHYQKN-UHFFFAOYSA-N -1 3 357.332 3.052 20 0 FGADHM CC(C)C(=O)NCCCNC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436902206 501230189 /nfs/dbraw/zinc/23/01/89/501230189.db2.gz PBCKCVBXQLCYPC-UHFFFAOYSA-N -1 3 368.477 3.070 20 0 FGADHM COc1ccccc1[C@@H](CNC(=O)c1ccc([O-])c(C)c1)N1CCCC1 ZINC000436904270 501230285 /nfs/dbraw/zinc/23/02/85/501230285.db2.gz WHOREXRBAPTCPU-GOSISDBHSA-N -1 3 354.450 3.276 20 0 FGADHM Cc1ccc([O-])c(C(=O)N[C@@H]2CCCN([C@@H](C)c3ccccc3F)C2=O)c1 ZINC000436907363 501230562 /nfs/dbraw/zinc/23/05/62/501230562.db2.gz YEOBVBXPOKJJBA-KBXCAEBGSA-N -1 3 370.424 3.322 20 0 FGADHM CC[C@H](C[C@H](C)CO)NC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436906554 501230683 /nfs/dbraw/zinc/23/06/83/501230683.db2.gz QOBGRGMNYCLIPI-DOTOQJQBSA-N -1 3 357.450 3.498 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NC[C@@H]2CC[C@@H](C)C2)c1 ZINC000436915685 501231768 /nfs/dbraw/zinc/23/17/68/501231768.db2.gz RVVQJBNWZPGRDB-DGCLKSJQSA-N -1 3 357.410 3.107 20 0 FGADHM O=c1ccccn1CCCc1noc(-c2ccc3c(c2[O-])CCCC3)n1 ZINC000436918124 501232429 /nfs/dbraw/zinc/23/24/29/501232429.db2.gz GOJOSMJVPUMSEY-UHFFFAOYSA-N -1 3 351.406 3.116 20 0 FGADHM O=C(Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1)c1cc(F)ccc1F ZINC000436917013 501232644 /nfs/dbraw/zinc/23/26/44/501232644.db2.gz YCBKBJATDJPJAY-UHFFFAOYSA-N -1 3 350.712 3.361 20 0 FGADHM CCCCOc1ccc(C(=O)N(C)C[C@@H]2COc3ccccc3O2)c([O-])c1 ZINC000436918830 501232810 /nfs/dbraw/zinc/23/28/10/501232810.db2.gz KPPARXPTBRSRDL-MRXNPFEDSA-N -1 3 371.433 3.483 20 0 FGADHM Cc1nnc(CCNC(=O)c2cc(Cc3ccccc3)ccc2[O-])s1 ZINC000436924212 501233970 /nfs/dbraw/zinc/23/39/70/501233970.db2.gz BQVCPDKETRQOEW-UHFFFAOYSA-N -1 3 353.447 3.115 20 0 FGADHM COc1cccc(C(=O)Nc2ccc([C@@H](C)N3CCOCC3)cc2)c1[O-] ZINC000436923977 501234033 /nfs/dbraw/zinc/23/40/33/501234033.db2.gz FGBIQYPXWODQAJ-CQSZACIVSA-N -1 3 356.422 3.046 20 0 FGADHM COCCc1nc2cc([N-]S(=O)(=O)CCC3CCCC3)ccc2o1 ZINC000450981803 501236840 /nfs/dbraw/zinc/23/68/40/501236840.db2.gz ZCALXDITFRZBNU-UHFFFAOYSA-N -1 3 352.456 3.339 20 0 FGADHM Cc1csc(S(=O)(=O)[N-]Cc2ccc(N3CCCCCC3)nc2)c1 ZINC000451063104 501242697 /nfs/dbraw/zinc/24/26/97/501242697.db2.gz KUOXIXYGYPGBPP-UHFFFAOYSA-N -1 3 365.524 3.310 20 0 FGADHM CCOc1nc2cc(C(=O)N3CCC(c4ccncc4)CC3)ccc2[n-]1 ZINC000451199255 501251623 /nfs/dbraw/zinc/25/16/23/501251623.db2.gz WODPLBOEALRSIZ-UHFFFAOYSA-N -1 3 350.422 3.376 20 0 FGADHM CCOc1nc2ccc(C(=O)N3CCC(c4ccncc4)CC3)cc2[n-]1 ZINC000451199255 501251624 /nfs/dbraw/zinc/25/16/24/501251624.db2.gz WODPLBOEALRSIZ-UHFFFAOYSA-N -1 3 350.422 3.376 20 0 FGADHM CCOc1ccncc1S(=O)(=O)[N-][C@@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000451227806 501253507 /nfs/dbraw/zinc/25/35/07/501253507.db2.gz GOWYYLZYYFZOTH-GXFFZTMASA-N -1 3 370.833 3.107 20 0 FGADHM C[C@@H](C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)C1CCC1 ZINC000457580593 501262444 /nfs/dbraw/zinc/26/24/44/501262444.db2.gz PZZOUHCQCXZXHT-LLVKDONJSA-N -1 3 356.463 3.277 20 0 FGADHM CCc1ccc([O-])c(C(=O)NC[C@H]2CCN(c3cccc(OC)c3)C2)c1 ZINC000588230116 506243206 /nfs/dbraw/zinc/24/32/06/506243206.db2.gz UKOKSJQVCWCWKR-MRXNPFEDSA-N -1 3 354.450 3.220 20 0 FGADHM C[C@H]1CC[C@@](C)(C(=O)N2CCN(C(=O)c3cccc([O-])c3)CC2)C1(C)C ZINC000457623454 501270962 /nfs/dbraw/zinc/27/09/62/501270962.db2.gz FXGNRCLAOOENOC-BTYIYWSLSA-N -1 3 358.482 3.139 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1sccc1Cl)[C@H]1CCCN(C2CCC2)C1 ZINC000451384264 501280670 /nfs/dbraw/zinc/28/06/70/501280670.db2.gz NDQOKWCSPUJAPW-NEPJUHHUSA-N -1 3 362.948 3.333 20 0 FGADHM CCOc1cc(-c2noc(C3CN(C(=O)C4CCCCC4)C3)n2)ccc1[O-] ZINC000453169582 501283565 /nfs/dbraw/zinc/28/35/65/501283565.db2.gz UOFCXGNVGZXUOV-UHFFFAOYSA-N -1 3 371.437 3.347 20 0 FGADHM CC[C@H](COCC(F)(F)F)[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000451654817 501345124 /nfs/dbraw/zinc/34/51/24/501345124.db2.gz PFINXLAHDGMEIG-MRVPVSSYSA-N -1 3 363.760 3.115 20 0 FGADHM CC(C)c1nc(C[N-]S(=O)(=O)c2c(Cl)ccc3ccccc32)n[nH]1 ZINC000451678796 501349524 /nfs/dbraw/zinc/34/95/24/501349524.db2.gz NSGCFYCFLOBYEX-UHFFFAOYSA-N -1 3 364.858 3.213 20 0 FGADHM Cc1ncsc1CC[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000451784219 501371433 /nfs/dbraw/zinc/37/14/33/501371433.db2.gz GDGMXUJLLHWCAI-UHFFFAOYSA-N -1 3 351.280 3.279 20 0 FGADHM Cc1ncsc1CC[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000451789976 501372466 /nfs/dbraw/zinc/37/24/66/501372466.db2.gz SFBNCJLOHNWYGM-UHFFFAOYSA-N -1 3 351.280 3.279 20 0 FGADHM Cn1ccc(C(=O)N=c2nc(-c3ccccc3Cl)[n-]n2C)c1C1CCC1 ZINC000451835259 501382248 /nfs/dbraw/zinc/38/22/48/501382248.db2.gz KANWLCWILKVAAO-UHFFFAOYSA-N -1 3 369.856 3.416 20 0 FGADHM COc1ccc(Br)c(S(=O)(=O)[N-]C(C)(C)C2CCC2)c1 ZINC000451861316 501388166 /nfs/dbraw/zinc/38/81/66/501388166.db2.gz FPFCRILWVJZVKQ-UHFFFAOYSA-N -1 3 362.289 3.315 20 0 FGADHM CCCc1ncc(C[N-]S(=O)(=O)c2ccc(Br)c(C)c2)o1 ZINC000451956251 501407564 /nfs/dbraw/zinc/40/75/64/501407564.db2.gz GMJHSNOFMAADMW-UHFFFAOYSA-N -1 3 373.272 3.177 20 0 FGADHM CCCc1ncc(C[N-]S(=O)(=O)Cc2ccccc2Br)o1 ZINC000451960625 501408759 /nfs/dbraw/zinc/40/87/59/501408759.db2.gz QAJDLDYLLQQGRX-UHFFFAOYSA-N -1 3 373.272 3.009 20 0 FGADHM COC(=O)c1sc2[n-]c(CN[C@H](C)c3cccc(C)c3)nc(=O)c2c1C ZINC000452088924 501432600 /nfs/dbraw/zinc/43/26/00/501432600.db2.gz PKTGTQJETTZCLL-GFCCVEGCSA-N -1 3 371.462 3.239 20 0 FGADHM CC1(C)CN(C(=O)NCc2ccc([O-])c(F)c2)C[C@@](C)(C(F)(F)F)O1 ZINC000458414870 501439961 /nfs/dbraw/zinc/43/99/61/501439961.db2.gz LJYATQAOENDSOH-HNNXBMFYSA-N -1 3 364.339 3.173 20 0 FGADHM O=C(Cc1ccc(Br)cc1[O-])N1C[C@@H](C2CC2)[C@H]1C1CC1 ZINC000456260141 501483325 /nfs/dbraw/zinc/48/33/25/501483325.db2.gz RVQCFCWEHXFFIO-WMLDXEAASA-N -1 3 350.256 3.344 20 0 FGADHM COC[C@]1(C)CCN(C(=O)c2ccc(C(=O)c3cccc([O-])c3)cc2)C1 ZINC000452370749 501486937 /nfs/dbraw/zinc/48/69/37/501486937.db2.gz GMAZTVPAPLYPRT-OAQYLSRUSA-N -1 3 353.418 3.122 20 0 FGADHM CC[C@H](C)[C@@H](CNC(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1)OC ZINC000452415469 501495400 /nfs/dbraw/zinc/49/54/00/501495400.db2.gz PUYQIWXZHLRLKY-IFXJQAMLSA-N -1 3 355.434 3.414 20 0 FGADHM CC[C@H]1CCCC[C@@H]1CNC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000452424865 501497593 /nfs/dbraw/zinc/49/75/93/501497593.db2.gz RDLXORXLIYSDKP-GXTWGEPZSA-N -1 3 356.463 3.143 20 0 FGADHM Cc1cc(F)ccc1[C@H]1CCCN1C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000458649916 501498614 /nfs/dbraw/zinc/49/86/14/501498614.db2.gz HQSKYNOFJNEIEP-GFCCVEGCSA-N -1 3 371.338 3.318 20 0 FGADHM Cc1cc(F)ccc1[C@H]1CCCN1C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000458649916 501498618 /nfs/dbraw/zinc/49/86/18/501498618.db2.gz HQSKYNOFJNEIEP-GFCCVEGCSA-N -1 3 371.338 3.318 20 0 FGADHM Cc1cc(F)ccc1[C@H]1CCCN1C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000458649916 501498619 /nfs/dbraw/zinc/49/86/19/501498619.db2.gz HQSKYNOFJNEIEP-GFCCVEGCSA-N -1 3 371.338 3.318 20 0 FGADHM CN(C(=O)NCc1nnc(C(F)(F)F)[n-]1)[C@H]1CCC[C@H]1c1ccccc1 ZINC000458669251 501503477 /nfs/dbraw/zinc/50/34/77/501503477.db2.gz WKLMDYXEMIIKCT-STQMWFEESA-N -1 3 367.375 3.301 20 0 FGADHM CN(C(=O)NCc1n[n-]c(C(F)(F)F)n1)[C@H]1CCC[C@H]1c1ccccc1 ZINC000458669251 501503479 /nfs/dbraw/zinc/50/34/79/501503479.db2.gz WKLMDYXEMIIKCT-STQMWFEESA-N -1 3 367.375 3.301 20 0 FGADHM CN(C(=O)NCc1nc(C(F)(F)F)n[n-]1)[C@H]1CCC[C@H]1c1ccccc1 ZINC000458669251 501503482 /nfs/dbraw/zinc/50/34/82/501503482.db2.gz WKLMDYXEMIIKCT-STQMWFEESA-N -1 3 367.375 3.301 20 0 FGADHM Cc1c(Br)ccc([O-])c1NC(=O)c1nn(C)c2c1CCCC2 ZINC000452744070 501554922 /nfs/dbraw/zinc/55/49/22/501554922.db2.gz BLFPHGCROUZIKJ-UHFFFAOYSA-N -1 3 364.243 3.328 20 0 FGADHM Cc1c(CCC(=O)Nc2c([O-])ccc(Br)c2C)cnn1C ZINC000452747613 501555335 /nfs/dbraw/zinc/55/53/35/501555335.db2.gz IMMLJLOLDPHCGX-UHFFFAOYSA-N -1 3 352.232 3.076 20 0 FGADHM CCc1cc(C(=O)N[C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)ccc1[O-] ZINC000456604251 501556592 /nfs/dbraw/zinc/55/65/92/501556592.db2.gz CPMJVFCKJBERSM-KGLIPLIRSA-N -1 3 352.434 3.051 20 0 FGADHM COc1cc(C(=O)N[C@H]2CCCN(C)c3ccccc32)cc(OC)c1[O-] ZINC000456612689 501558399 /nfs/dbraw/zinc/55/83/99/501558399.db2.gz SCZNJZYUAIPTNL-HNNXBMFYSA-N -1 3 356.422 3.111 20 0 FGADHM Cc1cc(C)n([C@H](C)C(=O)Nc2c(C)c(Br)ccc2[O-])n1 ZINC000452760202 501558669 /nfs/dbraw/zinc/55/86/69/501558669.db2.gz VHWGZFDDEWTMRK-LLVKDONJSA-N -1 3 352.232 3.476 20 0 FGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCc1cccc(C(F)(F)F)n1 ZINC000452817481 501567584 /nfs/dbraw/zinc/56/75/84/501567584.db2.gz GTEJQZVGTZYIOB-UHFFFAOYSA-N -1 3 368.359 3.132 20 0 FGADHM CO[C@@H]1CCN(C(=O)c2ccc(C(=O)c3cccc([O-])c3)cc2)C[C@H]1C ZINC000452850001 501573954 /nfs/dbraw/zinc/57/39/54/501573954.db2.gz VBSXOZYOTLFXCV-AUUYWEPGSA-N -1 3 353.418 3.120 20 0 FGADHM Cn1cc(C2CCN(Cc3cccc([O-])c3Br)CC2)cn1 ZINC000459326771 501631787 /nfs/dbraw/zinc/63/17/87/501631787.db2.gz NILKVERYPYMKFN-UHFFFAOYSA-N -1 3 350.260 3.268 20 0 FGADHM O=c1cc(CN2CCC(OCCc3ccccc3)CC2)nc(C2CC2)[n-]1 ZINC000459332356 501632712 /nfs/dbraw/zinc/63/27/12/501632712.db2.gz VZMWIYTXTWOPRB-UHFFFAOYSA-N -1 3 353.466 3.283 20 0 FGADHM CCCc1ccc([C@H](C)N(CC(N)=O)Cc2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC000459363125 501639946 /nfs/dbraw/zinc/63/99/46/501639946.db2.gz YKAKYTBNQZGNHB-AWEZNQCLSA-N -1 3 368.481 3.061 20 0 FGADHM COCCN(Cc1ccc(C)o1)Cc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000459369861 501640785 /nfs/dbraw/zinc/64/07/85/501640785.db2.gz QQYWBUDRKOKNDD-UHFFFAOYSA-N -1 3 353.422 3.399 20 0 FGADHM CCOc1cc(CN[C@@H]2CCN(Cc3ccccc3)C2=O)cc(Cl)c1[O-] ZINC000459391860 501645369 /nfs/dbraw/zinc/64/53/69/501645369.db2.gz RYTXCUHTKUPCIP-QGZVFWFLSA-N -1 3 374.868 3.335 20 0 FGADHM Cn1cc(CNCc2cccc([O-])c2Br)c(C(F)(F)F)n1 ZINC000459446060 501655448 /nfs/dbraw/zinc/65/54/48/501655448.db2.gz HTULPGBBBJKOAR-UHFFFAOYSA-N -1 3 364.165 3.197 20 0 FGADHM CCOc1cc(CN2C[C@H](C)OC3(CCOCC3)C2)cc(Cl)c1[O-] ZINC000459499473 501664360 /nfs/dbraw/zinc/66/43/60/501664360.db2.gz DUKBTHMOSKZAOE-ZDUSSCGKSA-N -1 3 355.862 3.214 20 0 FGADHM Cc1cc(NCc2cccc([O-])c2Br)cc(OCCO)c1 ZINC000459517359 501668407 /nfs/dbraw/zinc/66/84/07/501668407.db2.gz OFPBOMOLMVVQMQ-UHFFFAOYSA-N -1 3 352.228 3.446 20 0 FGADHM [O-]c1cccc(CN2CCSC3(CCOCC3)C2)c1Br ZINC000459523559 501669035 /nfs/dbraw/zinc/66/90/35/501669035.db2.gz IPDQRQHPCPLQAN-UHFFFAOYSA-N -1 3 358.301 3.253 20 0 FGADHM CC(C)c1nnc(CCNCc2cccc([O-])c2Br)s1 ZINC000459552974 501675379 /nfs/dbraw/zinc/67/53/79/501675379.db2.gz ATEAHPHSCQEKGX-UHFFFAOYSA-N -1 3 356.289 3.462 20 0 FGADHM [O-]c1cccc(CNC[C@]2(CO)C[C@H]2c2ccccc2)c1Br ZINC000459559158 501676423 /nfs/dbraw/zinc/67/64/23/501676423.db2.gz HWJRMGNNXMYYGZ-YJBOKZPZSA-N -1 3 362.267 3.411 20 0 FGADHM CCOc1cc(CNCc2ncccc2OC)cc(Br)c1[O-] ZINC000459561532 501676851 /nfs/dbraw/zinc/67/68/51/501676851.db2.gz MKRMKHCEXOVWJF-UHFFFAOYSA-N -1 3 367.243 3.247 20 0 FGADHM CN(C)Cc1ccccc1CNC(=O)c1cccc(Br)c1[O-] ZINC000592829440 506269423 /nfs/dbraw/zinc/26/94/23/506269423.db2.gz UEACEROCPAIDTC-UHFFFAOYSA-N -1 3 363.255 3.146 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CC[C@H](c3c(F)cccc3F)C2)c1 ZINC000470574027 501731341 /nfs/dbraw/zinc/73/13/41/501731341.db2.gz LNXANZVFRPNQSZ-LBPRGKRZSA-N -1 3 360.360 3.259 20 0 FGADHM CC(C)c1cc(C(=O)Nc2nnc(-c3cc4ccccc4o3)[n-]2)nn1C ZINC000485133713 501733029 /nfs/dbraw/zinc/73/30/29/501733029.db2.gz RZMSSHOJFGVWKF-UHFFFAOYSA-N -1 3 350.382 3.327 20 0 FGADHM CC(C)c1cc(C(=O)Nc2nc(-c3cc4ccccc4o3)n[n-]2)nn1C ZINC000485133713 501733034 /nfs/dbraw/zinc/73/30/34/501733034.db2.gz RZMSSHOJFGVWKF-UHFFFAOYSA-N -1 3 350.382 3.327 20 0 FGADHM CC(C)c1cc(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)nn1C ZINC000485133713 501733037 /nfs/dbraw/zinc/73/30/37/501733037.db2.gz RZMSSHOJFGVWKF-UHFFFAOYSA-N -1 3 350.382 3.327 20 0 FGADHM CO[C@H](CNC(=O)Cc1ccc(Br)cc1[O-])c1ccccc1 ZINC000477616854 501739337 /nfs/dbraw/zinc/73/93/37/501739337.db2.gz KODJSFUNYIHEDG-MRXNPFEDSA-N -1 3 364.239 3.201 20 0 FGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@@H]1CCN(C)[C@@H](C)C1 ZINC000470604202 501741102 /nfs/dbraw/zinc/74/11/02/501741102.db2.gz AGBWLXDBKUYSOL-GXFFZTMASA-N -1 3 356.875 3.156 20 0 FGADHM O=C(N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1)c1cc(=O)[nH]c(C2CC2)c1 ZINC000474272507 501770057 /nfs/dbraw/zinc/77/00/57/501770057.db2.gz HJZFJYWTPOLQLF-UHFFFAOYSA-N -1 3 356.332 3.007 20 0 FGADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)Nc1cc(F)ccc1OCC1CC1 ZINC000485282371 501776721 /nfs/dbraw/zinc/77/67/21/501776721.db2.gz FOXOMJUSQUGOAU-UHFFFAOYSA-N -1 3 373.310 3.073 20 0 FGADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)Nc1cc(F)ccc1OCC1CC1 ZINC000485282371 501776727 /nfs/dbraw/zinc/77/67/27/501776727.db2.gz FOXOMJUSQUGOAU-UHFFFAOYSA-N -1 3 373.310 3.073 20 0 FGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)Nc1cc(F)ccc1OCC1CC1 ZINC000485282371 501776735 /nfs/dbraw/zinc/77/67/35/501776735.db2.gz FOXOMJUSQUGOAU-UHFFFAOYSA-N -1 3 373.310 3.073 20 0 FGADHM Cc1noc(C)c1S(=O)(=O)[N-]CCCOc1ccc2ccccc2c1 ZINC000474303169 501782286 /nfs/dbraw/zinc/78/22/86/501782286.db2.gz BCQREMLBCFTIQP-UHFFFAOYSA-N -1 3 360.435 3.192 20 0 FGADHM COCc1nc(SCC(=O)Nc2ccccc2Cc2ccccc2)n[n-]1 ZINC000474387103 501816814 /nfs/dbraw/zinc/81/68/14/501816814.db2.gz AQWIIVCUWPFIDI-UHFFFAOYSA-N -1 3 368.462 3.273 20 0 FGADHM CC(C)n1cc(S(=O)(=O)[N-]C2CC(F)(c3cccc(Cl)c3)C2)cn1 ZINC000481572343 501818705 /nfs/dbraw/zinc/81/87/05/501818705.db2.gz XAFCOUIUEQTISE-UHFFFAOYSA-N -1 3 371.865 3.423 20 0 FGADHM Cc1oc2ccc(NC(=O)c3cncc([N-]S(C)(=O)=O)c3)cc2c1C ZINC000477948064 501837684 /nfs/dbraw/zinc/83/76/84/501837684.db2.gz USTDHFAWSBOIEE-UHFFFAOYSA-N -1 3 359.407 3.068 20 0 FGADHM COC(=O)c1cc([N-]C(=O)c2cc(OC)c(OC)cc2F)c(F)cc1F ZINC000470950842 501868014 /nfs/dbraw/zinc/86/80/14/501868014.db2.gz SNORIBUIVUHIDL-UHFFFAOYSA-N -1 3 369.295 3.160 20 0 FGADHM CCc1cc(C(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)nc2)ccc1[O-] ZINC000485589018 501869412 /nfs/dbraw/zinc/86/94/12/501869412.db2.gz HOXMZUDEXJBARL-OKILXGFUSA-N -1 3 355.438 3.216 20 0 FGADHM Cc1ccc([C@@H]2OCCC[C@@H]2[N-]S(=O)(=O)c2ccc(F)cc2F)cc1 ZINC000467792344 501874942 /nfs/dbraw/zinc/87/49/42/501874942.db2.gz DVPJLKGUGWMGGG-WMZOPIPTSA-N -1 3 367.417 3.472 20 0 FGADHM COc1ccc(S(=O)(=O)[N-][C@@H](c2ccco2)c2ccccc2)c(F)c1 ZINC000478144260 501892083 /nfs/dbraw/zinc/89/20/83/501892083.db2.gz UHHSPYWPMXMHHT-GOSISDBHSA-N -1 3 361.394 3.495 20 0 FGADHM CCCCc1nc(C(=O)OCC)c(NC(=O)Cc2ccc(C(C)=O)cc2)[n-]1 ZINC000485673926 501896784 /nfs/dbraw/zinc/89/67/84/501896784.db2.gz QQATUOXCGDDOJC-UHFFFAOYSA-N -1 3 371.437 3.313 20 0 FGADHM CCCCc1nc(NC(=O)Cc2ccc(C(C)=O)cc2)c(C(=O)OCC)[n-]1 ZINC000485673926 501896788 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ZINC000479757044 502367253 /nfs/dbraw/zinc/36/72/53/502367253.db2.gz QNZSXNDVOXELMH-UHFFFAOYSA-N -1 3 354.328 3.009 20 0 FGADHM C[C@H](C(=O)Nc1nnc(-c2c(F)cccc2F)[n-]1)n1cnc2ccccc21 ZINC000479761916 502369950 /nfs/dbraw/zinc/36/99/50/502369950.db2.gz DQVYVMYOVOYKNN-SNVBAGLBSA-N -1 3 368.347 3.299 20 0 FGADHM C[C@H](C(=O)Nc1nc(-c2c(F)cccc2F)n[n-]1)n1cnc2ccccc21 ZINC000479761916 502369955 /nfs/dbraw/zinc/36/99/55/502369955.db2.gz DQVYVMYOVOYKNN-SNVBAGLBSA-N -1 3 368.347 3.299 20 0 FGADHM C[C@H](C(=O)Nc1n[n-]c(-c2c(F)cccc2F)n1)n1cnc2ccccc21 ZINC000479761916 502369958 /nfs/dbraw/zinc/36/99/58/502369958.db2.gz DQVYVMYOVOYKNN-SNVBAGLBSA-N -1 3 368.347 3.299 20 0 FGADHM Cn1c([N-]C(=O)C(=O)Nc2ccc(Cl)c(F)c2)nc2ccc(F)cc21 ZINC000487157651 502376232 /nfs/dbraw/zinc/37/62/32/502376232.db2.gz LOVBJMHIHMXXCR-UHFFFAOYSA-N -1 3 364.739 3.082 20 0 FGADHM COc1ccccc1[C@]1(C)C[C@H]1[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000462303942 502385965 /nfs/dbraw/zinc/38/59/65/502385965.db2.gz BRKIKARCMXYPEZ-SJORKVTESA-N -1 3 369.845 3.496 20 0 FGADHM COCCOc1ccc(F)cc1S(=O)(=O)[N-]C1CCC(C(C)C)CC1 ZINC000469358849 502386619 /nfs/dbraw/zinc/38/66/19/502386619.db2.gz MILMWENMXIRIHU-UHFFFAOYSA-N -1 3 373.490 3.344 20 0 FGADHM COC(C)(C)C[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000469361521 502387551 /nfs/dbraw/zinc/38/75/51/502387551.db2.gz JRYUMNYZRFSVLO-UHFFFAOYSA-N -1 3 361.891 3.222 20 0 FGADHM COCCOc1ccc(F)cc1S(=O)(=O)[N-][C@H]1CCCC[C@@H]1C(C)C ZINC000469362978 502387735 /nfs/dbraw/zinc/38/77/35/502387735.db2.gz UWGIQJLKMDAXCW-CVEARBPZSA-N -1 3 373.490 3.344 20 0 FGADHM CCC[C@H](C)CS(=O)(=O)[N-][C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000462312748 502387816 /nfs/dbraw/zinc/38/78/16/502387816.db2.gz DLGZBLJVWCUHEU-ZFWWWQNUSA-N -1 3 372.918 3.191 20 0 FGADHM CCC[C@@H](C)CS(=O)(=O)[N-][C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000462312747 502388416 /nfs/dbraw/zinc/38/84/16/502388416.db2.gz DLGZBLJVWCUHEU-UKRRQHHQSA-N -1 3 372.918 3.191 20 0 FGADHM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2ccccc2C(F)(F)F)C12CCC2 ZINC000462322860 502391952 /nfs/dbraw/zinc/39/19/52/502391952.db2.gz RBNCBUVYVZXNBP-KBPBESRZSA-N -1 3 363.401 3.331 20 0 FGADHM COc1ccccc1[C@]1(C)C[C@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000462327263 502394391 /nfs/dbraw/zinc/39/43/91/502394391.db2.gz NKLCCFDMWYKWGZ-SJORKVTESA-N -1 3 369.845 3.496 20 0 FGADHM COc1nnc(NC(=O)c2ccc(-c3ccccc3C(F)(F)F)o2)[n-]1 ZINC000476133846 502394491 /nfs/dbraw/zinc/39/44/91/502394491.db2.gz DVUSKGGQGUPKSW-UHFFFAOYSA-N -1 3 352.272 3.344 20 0 FGADHM COc1nc(NC(=O)c2ccc(-c3ccccc3C(F)(F)F)o2)n[n-]1 ZINC000476133846 502394494 /nfs/dbraw/zinc/39/44/94/502394494.db2.gz DVUSKGGQGUPKSW-UHFFFAOYSA-N -1 3 352.272 3.344 20 0 FGADHM COc1n[n-]c(NC(=O)c2ccc(-c3ccccc3C(F)(F)F)o2)n1 ZINC000476133846 502394498 /nfs/dbraw/zinc/39/44/98/502394498.db2.gz DVUSKGGQGUPKSW-UHFFFAOYSA-N -1 3 352.272 3.344 20 0 FGADHM COC(=O)[C@H](C)N(Cc1ccc(OC)c([O-])c1Br)C1CCC1 ZINC000483448399 502396197 /nfs/dbraw/zinc/39/61/97/502396197.db2.gz MKCRRKDTSIEYNO-JTQLQIEISA-N -1 3 372.259 3.079 20 0 FGADHM CC(C)(C)c1ccc(CC(=O)NCCCNC(=O)c2cccc([O-])c2)cc1 ZINC000487332821 502419695 /nfs/dbraw/zinc/41/96/95/502419695.db2.gz KSHKEFYHAMALOY-UHFFFAOYSA-N -1 3 368.477 3.169 20 0 FGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@H](C)SCC(=O)Nc1ccc(C)cc1 ZINC000592949438 506312681 /nfs/dbraw/zinc/31/26/81/506312681.db2.gz CCGSWRPTELGZKX-AWEZNQCLSA-N -1 3 374.510 3.271 20 0 FGADHM O=S(=O)([N-]CCc1nc2ccccc2n1C(F)F)c1ccccc1F ZINC000487439417 502445207 /nfs/dbraw/zinc/44/52/07/502445207.db2.gz AYUAMDLACJCNGT-UHFFFAOYSA-N -1 3 369.368 3.092 20 0 FGADHM CC(C)[C@@H](CNC(=O)c1ccc([N-]S(C)(=O)=O)cc1)Cc1ccccc1 ZINC000469528352 502452831 /nfs/dbraw/zinc/45/28/31/502452831.db2.gz CDLYXPOUAJLBAJ-GOSISDBHSA-N -1 3 374.506 3.303 20 0 FGADHM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)c1cccc(-c2ccoc2)c1 ZINC000472841220 502456277 /nfs/dbraw/zinc/45/62/77/502456277.db2.gz ZCRCPCSWROTXDM-UHFFFAOYSA-N -1 3 368.345 3.100 20 0 FGADHM Cc1cc(Br)c(S(=O)(=O)[N-]CCc2cccs2)s1 ZINC000462482360 502457685 /nfs/dbraw/zinc/45/76/85/502457685.db2.gz 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ZINC000487657555 502499179 /nfs/dbraw/zinc/49/91/79/502499179.db2.gz XOZWUZORDKBBPB-KRWDZBQOSA-N -1 3 352.434 3.080 20 0 FGADHM CC(C)c1cccc(C(C)C)c1NC(=O)C(=O)NCc1ncccc1[O-] ZINC000473030155 502504335 /nfs/dbraw/zinc/50/43/35/502504335.db2.gz DGDKJAPQGPDQEH-UHFFFAOYSA-N -1 3 355.438 3.289 20 0 FGADHM O=C(Cc1ccc([O-])cc1Cl)NC[C@H]1CCN(c2ccccc2F)C1 ZINC000462619367 502510132 /nfs/dbraw/zinc/51/01/32/502510132.db2.gz DGTIIWLVWWGWPX-CYBMUJFWSA-N -1 3 362.832 3.370 20 0 FGADHM CCc1cc(C(=O)N2CCN(c3cc(OC)ccc3F)CC2)ccc1[O-] ZINC000487709061 502511547 /nfs/dbraw/zinc/51/15/47/502511547.db2.gz VSMNACRVZCLJQN-UHFFFAOYSA-N -1 3 358.413 3.065 20 0 FGADHM C[C@H](C[N-]S(=O)(=O)c1ccc(F)c(Br)c1)C(F)(F)F ZINC000476564097 502527328 /nfs/dbraw/zinc/52/73/28/502527328.db2.gz FZSLIPSFOTXKSQ-ZCFIWIBFSA-N -1 3 364.158 3.065 20 0 FGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)[C@H]1CCc2cc(C)ccc2O1 ZINC000483952288 502530081 /nfs/dbraw/zinc/53/00/81/502530081.db2.gz HDBWFLHYLZVFCW-CQSZACIVSA-N -1 3 358.394 3.054 20 0 FGADHM COc1cc(Br)ccc1[C@@H](C)NC(=O)c1csc(=O)[n-]1 ZINC000473206040 502542290 /nfs/dbraw/zinc/54/22/90/502542290.db2.gz LMJVXCVKGITDHS-SSDOTTSWSA-N -1 3 357.229 3.111 20 0 FGADHM Cc1ccc(CC[C@@H](C)[N-]S(=O)(=O)c2cncc(Br)c2)o1 ZINC000462709625 502543204 /nfs/dbraw/zinc/54/32/04/502543204.db2.gz ZBLJPYOZZFTENO-SNVBAGLBSA-N -1 3 373.272 3.045 20 0 FGADHM COC(=O)[C@@H]1CCCC[C@]1(C)NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000469817487 502556161 /nfs/dbraw/zinc/55/61/61/502556161.db2.gz HKFNUSJYWGRZCS-LIRRHRJNSA-N -1 3 351.418 3.092 20 0 FGADHM CC1(C)CN(C(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)CC(C)(C)C1 ZINC000466403009 502559952 /nfs/dbraw/zinc/55/99/52/502559952.db2.gz BGPSYYABDCXOFS-UHFFFAOYSA-N -1 3 356.463 3.096 20 0 FGADHM O=S(=O)([N-]CC1(C(F)F)CC1)c1ccc(Br)cc1Cl ZINC000480439474 502570435 /nfs/dbraw/zinc/57/04/35/502570435.db2.gz SMMRUQRGZMCVMU-UHFFFAOYSA-N -1 3 374.634 3.426 20 0 FGADHM COc1cc(F)c(CN[C@H](Cc2ccc(C)c(C)c2)C(=O)[O-])cc1OC ZINC000582608692 506323540 /nfs/dbraw/zinc/32/35/40/506323540.db2.gz AWDCFVDWSHJLPG-QGZVFWFLSA-N -1 3 361.413 3.245 20 0 FGADHM CCCCOc1cc(OC)ccc1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000469967516 502612864 /nfs/dbraw/zinc/61/28/64/502612864.db2.gz YFKLMSJSDKVJIT-UHFFFAOYSA-N -1 3 367.409 3.307 20 0 FGADHM CCCCOc1cc(OC)ccc1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000469967516 502612869 /nfs/dbraw/zinc/61/28/69/502612869.db2.gz YFKLMSJSDKVJIT-UHFFFAOYSA-N -1 3 367.409 3.307 20 0 FGADHM CN(CCc1ccc(F)cc1)C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000484290105 502615709 /nfs/dbraw/zinc/61/57/09/502615709.db2.gz RGUPGKIZAWGGER-UHFFFAOYSA-N -1 3 360.335 3.260 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)c3ccc(C(C)C)nc3C)[n-]c21 ZINC000484416097 502640556 /nfs/dbraw/zinc/64/05/56/502640556.db2.gz OCNRKWOQDMEXND-UHFFFAOYSA-N -1 3 352.394 3.429 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccc(C(C)C)nc3C)nc21 ZINC000484416097 502640559 /nfs/dbraw/zinc/64/05/59/502640559.db2.gz OCNRKWOQDMEXND-UHFFFAOYSA-N -1 3 352.394 3.429 20 0 FGADHM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]CCC=C(C)C ZINC000480728801 502655401 /nfs/dbraw/zinc/65/54/01/502655401.db2.gz HNXCKFAZUGJETL-CYBMUJFWSA-N -1 3 361.891 3.388 20 0 FGADHM CCc1c(C(=O)NCc2ncccc2[O-])cnn1-c1ccc(Cl)cc1 ZINC000473629720 502660024 /nfs/dbraw/zinc/66/00/24/502660024.db2.gz KDWITEKQDAPSSZ-UHFFFAOYSA-N -1 3 356.813 3.119 20 0 FGADHM O=C(NCc1ncccc1[O-])[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC000473629507 502660546 /nfs/dbraw/zinc/66/05/46/502660546.db2.gz MULSBADXMNUEHO-VXGBXAGGSA-N -1 3 352.312 3.106 20 0 FGADHM CCc1ncc(S(=O)(=O)[N-][C@@H]2CC[C@H](c3ccc(F)cc3)C2)s1 ZINC000480747873 502661340 /nfs/dbraw/zinc/66/13/40/502661340.db2.gz JFXBVYLVHXQNAT-GXTWGEPZSA-N -1 3 354.472 3.459 20 0 FGADHM Cc1nc(COc2ccccc2C(=O)NCc2ncccc2[O-])cs1 ZINC000473640413 502663632 /nfs/dbraw/zinc/66/36/32/502663632.db2.gz RPZIOMBVLKUXHT-UHFFFAOYSA-N -1 3 355.419 3.061 20 0 FGADHM Cc1cc(C(=O)NCc2ncccc2[O-])nc(-c2ccc(Cl)cc2)n1 ZINC000473643368 502665663 /nfs/dbraw/zinc/66/56/63/502665663.db2.gz ZLHCJORXQWIUSX-UHFFFAOYSA-N -1 3 354.797 3.136 20 0 FGADHM Cc1cccc(F)c1S(=O)(=O)[N-]C[C@@](C)(Cc1ccccc1)[C@H](C)O ZINC000480778429 502668241 /nfs/dbraw/zinc/66/82/41/502668241.db2.gz XNOMAAHITZAJQX-HNAYVOBHSA-N -1 3 365.470 3.042 20 0 FGADHM CCn1cnc(S(=O)(=O)[N-]C2(c3cccc(Cl)c3)CCCC2)c1 ZINC000480839279 502684615 /nfs/dbraw/zinc/68/46/15/502684615.db2.gz OMHLOMQIVHEHMA-UHFFFAOYSA-N -1 3 353.875 3.304 20 0 FGADHM CC(C)[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)C(C)(C)O ZINC000480849508 502687297 /nfs/dbraw/zinc/68/72/97/502687297.db2.gz YZZYFCMZTYPKCL-LBPRGKRZSA-N -1 3 373.824 3.433 20 0 FGADHM O=S(=O)([N-][C@@H]1[C@@H]2Cc3ccccc3[C@@H]21)c1csc(-c2ccccc2)n1 ZINC000477144145 502690583 /nfs/dbraw/zinc/69/05/83/502690583.db2.gz LQDCQJRMLTUSOE-BPQIPLTHSA-N -1 3 368.483 3.427 20 0 FGADHM C[N-]S(=O)(=O)c1cc(C(=O)NCC[C@@H]2C[C@H](C)CC(C)(C)C2)c(C)o1 ZINC000470171078 502691969 /nfs/dbraw/zinc/69/19/69/502691969.db2.gz FKAQPKOJUOPRGC-GXTWGEPZSA-N -1 3 370.515 3.078 20 0 FGADHM CC(C)(C)N=c1[n-]nc([C@H]2CCO[C@@H]2c2ccccc2)n1C[C@@H]1CCOC1 ZINC000463109538 502697591 /nfs/dbraw/zinc/69/75/91/502697591.db2.gz YTJLWYBBDPCRRZ-RYQLBKOJSA-N -1 3 370.497 3.192 20 0 FGADHM Cc1cc2c(cc1S(=O)(=O)[N-][C@H](C1CCCC1)C(F)(F)F)OCO2 ZINC000480923762 502706777 /nfs/dbraw/zinc/70/67/77/502706777.db2.gz DYNSUCKLUXKYSV-CQSZACIVSA-N -1 3 365.373 3.123 20 0 FGADHM Cc1c(Cl)cc(F)c(NC(=O)NCc2nnc(C(F)(F)F)[n-]2)c1F ZINC000480928615 502707661 /nfs/dbraw/zinc/70/76/61/502707661.db2.gz MDZUGGLUEQQTOZ-UHFFFAOYSA-N -1 3 369.681 3.385 20 0 FGADHM Cc1c(Cl)cc(F)c(NC(=O)NCc2n[n-]c(C(F)(F)F)n2)c1F ZINC000480928615 502707666 /nfs/dbraw/zinc/70/76/66/502707666.db2.gz MDZUGGLUEQQTOZ-UHFFFAOYSA-N -1 3 369.681 3.385 20 0 FGADHM Cc1c(Cl)cc(F)c(NC(=O)NCc2nc(C(F)(F)F)n[n-]2)c1F ZINC000480928615 502707669 /nfs/dbraw/zinc/70/76/69/502707669.db2.gz MDZUGGLUEQQTOZ-UHFFFAOYSA-N -1 3 369.681 3.385 20 0 FGADHM CCN(C(=O)N=c1cc(C)c(C)n[n-]1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000473812446 502713636 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506900713 /nfs/dbraw/zinc/90/07/13/506900713.db2.gz FOBUICPPNVUDPI-UHFFFAOYSA-N -1 3 365.412 3.141 20 0 FGADHM CC1(C)CC(C(=O)Nc2ccc(C[C@H]3NC(=O)[N-]C3=O)cc2)CC(C)(C)C1 ZINC000613195523 506963429 /nfs/dbraw/zinc/96/34/29/506963429.db2.gz IEXRYPPDSZSRDP-MRXNPFEDSA-N -1 3 371.481 3.228 20 0 FGADHM [O-]c1nnn(-c2ccccc2)c1CN(CCc1ccc(F)cc1)C1CC1 ZINC000604881848 506974793 /nfs/dbraw/zinc/97/47/93/506974793.db2.gz OOJFXIRZNKTTNX-UHFFFAOYSA-N -1 3 352.413 3.319 20 0 FGADHM CC(C)[N-]S(=O)(=O)c1csc(-c2cccc(Br)c2)n1 ZINC000604887436 506977358 /nfs/dbraw/zinc/97/73/58/506977358.db2.gz UCCRHYWXCPNVTK-UHFFFAOYSA-N -1 3 361.286 3.259 20 0 FGADHM COc1ccc(C(=O)[C@@H](C)Sc2n[n-]c(-c3ccccn3)n2)cc1OC ZINC000604932909 506992483 /nfs/dbraw/zinc/99/24/83/506992483.db2.gz ADRTYFMQGXDZKK-LLVKDONJSA-N -1 3 370.434 3.247 20 0 FGADHM COC(=O)c1cc(C(=O)[N-]c2ccc(OCCC(C)C)cc2F)no1 ZINC000594197693 507000924 /nfs/dbraw/zinc/00/09/24/507000924.db2.gz GBGGJZKXNITCJN-UHFFFAOYSA-N -1 3 350.346 3.278 20 0 FGADHM 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507149845 /nfs/dbraw/zinc/14/98/45/507149845.db2.gz BGMRRHUNWFRRTJ-UHFFFAOYSA-N -1 3 354.410 3.256 20 0 FGADHM CCOC(=O)c1nc(C)[n-]c1NC(=O)CCc1c[nH]c2c1cccc2C ZINC000610232021 507149849 /nfs/dbraw/zinc/14/98/49/507149849.db2.gz BGMRRHUNWFRRTJ-UHFFFAOYSA-N -1 3 354.410 3.256 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@H](C)C(=O)OC(C)(C)C)c1-c1cccc(Cl)c1 ZINC000591247044 507168590 /nfs/dbraw/zinc/16/85/90/507168590.db2.gz XMEFUVCAQOJHSB-JTQLQIEISA-N -1 3 363.845 3.377 20 0 FGADHM COc1ccccc1[C@@H](CNC(=O)c1ccc2[nH][n-]c(=O)c2c1)OC(C)C ZINC000613591140 507171789 /nfs/dbraw/zinc/17/17/89/507171789.db2.gz GWXDGBYNWJUKAF-GOSISDBHSA-N -1 3 369.421 3.173 20 0 FGADHM CN(Cc1ccco1)C(=O)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O ZINC000605398668 507173760 /nfs/dbraw/zinc/17/37/60/507173760.db2.gz HYQBEOHINKULEG-UHFFFAOYSA-N -1 3 366.295 3.292 20 0 FGADHM COC(=O)c1cc(CN2CCC(c3ccccc3C(=O)[O-])CC2)n(C)c1C ZINC000591270371 507176967 /nfs/dbraw/zinc/17/69/67/507176967.db2.gz CBQDYFCSILLJKW-UHFFFAOYSA-N -1 3 370.449 3.198 20 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COC(=O)c1sc2ccccc2c1C[N-]S(=O)(=O)c1ccc(C)o1 ZINC000611341150 507628516 /nfs/dbraw/zinc/62/85/16/507628516.db2.gz WHWNJTJAIDWTRW-UHFFFAOYSA-N -1 3 365.432 3.068 20 0 FGADHM O=c1nc(CN(CCCO)C2CC2)[n-]c2scc(-c3ccccc3)c21 ZINC000607153691 507634306 /nfs/dbraw/zinc/63/43/06/507634306.db2.gz WGBWOQSZHYTTCQ-UHFFFAOYSA-N -1 3 355.463 3.411 20 0 FGADHM COc1cccc2c1OCC[C@@H]2[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000585807171 507641010 /nfs/dbraw/zinc/64/10/10/507641010.db2.gz URVMWEGWDVXACA-ZDUSSCGKSA-N -1 3 371.817 3.290 20 0 FGADHM CC(C)CCn1cc(C(=O)N=c2cc(-c3cccc(Cl)c3)[n-][nH]2)nn1 ZINC000607189968 507651743 /nfs/dbraw/zinc/65/17/43/507651743.db2.gz VIMIVWZZHRUROG-UHFFFAOYSA-N -1 3 358.833 3.042 20 0 FGADHM C[C@H](NC(=O)[C@@H]1CCCC[C@H]1C1CC1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000614820840 507665542 /nfs/dbraw/zinc/66/55/42/507665542.db2.gz BUOGJJJSAXMIAO-DARAHFNDSA-N -1 3 359.470 3.083 20 0 FGADHM Cc1ccc(C(=O)N[C@@H](C)[C@H](C)C(=O)Nc2ncccc2[O-])c(Cl)c1 ZINC000614828689 507667737 /nfs/dbraw/zinc/66/77/37/507667737.db2.gz WPXSEGMQQYYRQF-RYUDHWBXSA-N -1 3 361.829 3.142 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2cc(-c3nc(C)no3)ccc2C)cc1 ZINC000614856816 507673883 /nfs/dbraw/zinc/67/38/83/507673883.db2.gz KHRZXSMEYITLKZ-UHFFFAOYSA-N -1 3 359.407 3.163 20 0 FGADHM O=C([N-]c1n[nH]c(-c2ccccc2Br)n1)c1ccncc1F ZINC000607291721 507681022 /nfs/dbraw/zinc/68/10/22/507681022.db2.gz FWNKOHOKGGIPDS-UHFFFAOYSA-N -1 3 362.162 3.021 20 0 FGADHM CCc1cnccc1C(=O)Nc1cc(I)ccc1[O-] ZINC000611442240 507683982 /nfs/dbraw/zinc/68/39/82/507683982.db2.gz DQIKIJPKUUDPLA-UHFFFAOYSA-N -1 3 368.174 3.207 20 0 FGADHM O=C(NCCCc1cc(=O)[nH][n-]1)C1(c2c(Cl)cccc2Cl)CCC1 ZINC000614916356 507694843 /nfs/dbraw/zinc/69/48/43/507694843.db2.gz YBVMWVAMFMVYKW-UHFFFAOYSA-N -1 3 368.264 3.187 20 0 FGADHM Cc1cccc([C@H](C)C[N-]S(=O)(=O)c2cncc(Br)c2)c1 ZINC000607363728 507704186 /nfs/dbraw/zinc/70/41/86/507704186.db2.gz MIOOUPMBIPGVQK-GFCCVEGCSA-N -1 3 369.284 3.235 20 0 FGADHM O=C(c1ccc2[nH][n-]c(=O)c2c1)N1CCC(Oc2cncc(Cl)c2)CC1 ZINC000615093837 507751854 /nfs/dbraw/zinc/75/18/54/507751854.db2.gz JQXCVWASNGGRKR-UHFFFAOYSA-N -1 3 372.812 3.001 20 0 FGADHM COC(=O)c1cc(Cl)cc(NC(=O)c2cc(-c3ccoc3)[nH]n2)c1[O-] ZINC000588095125 507759604 /nfs/dbraw/zinc/75/96/04/507759604.db2.gz DHHCFLZMFVUKQH-UHFFFAOYSA-N -1 3 361.741 3.068 20 0 FGADHM COC(=O)c1cc(Cl)cc(NC(=O)[C@@H](C)n2cnc3ccccc32)c1[O-] ZINC000588095359 507759878 /nfs/dbraw/zinc/75/98/78/507759878.db2.gz PEMIBLXAKWCPLC-SNVBAGLBSA-N -1 3 373.796 3.382 20 0 FGADHM CC[C@H]1C[C@H](CC(=O)Nc2cc(Cl)cc(C(=O)OC)c2[O-])CCO1 ZINC000588096401 507759992 /nfs/dbraw/zinc/75/99/92/507759992.db2.gz BNKOSHNKBWXRTD-PWSUYJOCSA-N -1 3 355.818 3.366 20 0 FGADHM C[C@@H](C(=O)Nc1nnc(-c2ccc3ccccc3n2)[n-]1)C1CCOCC1 ZINC000615119845 507760674 /nfs/dbraw/zinc/76/06/74/507760674.db2.gz QELORBDKUBVDAV-GFCCVEGCSA-N -1 3 351.410 3.021 20 0 FGADHM C[C@@H](C(=O)Nc1nc(-c2ccc3ccccc3n2)n[n-]1)C1CCOCC1 ZINC000615119845 507760677 /nfs/dbraw/zinc/76/06/77/507760677.db2.gz QELORBDKUBVDAV-GFCCVEGCSA-N -1 3 351.410 3.021 20 0 FGADHM C[C@@H](C(=O)Nc1n[n-]c(-c2ccc3ccccc3n2)n1)C1CCOCC1 ZINC000615119845 507760680 /nfs/dbraw/zinc/76/06/80/507760680.db2.gz QELORBDKUBVDAV-GFCCVEGCSA-N -1 3 351.410 3.021 20 0 FGADHM COC(=O)c1cc(Cl)cc(NC(=O)CSCc2cccnc2)c1[O-] ZINC000588098660 507761336 /nfs/dbraw/zinc/76/13/36/507761336.db2.gz XERQCQZAQNWMFW-UHFFFAOYSA-N -1 3 366.826 3.099 20 0 FGADHM CO[C@@H](C(=O)Nc1nnc(-c2ccc3ccccc3n2)[n-]1)C1CCCC1 ZINC000615124223 507762518 /nfs/dbraw/zinc/76/25/18/507762518.db2.gz VBTAKXUYXAARFS-MRXNPFEDSA-N -1 3 351.410 3.164 20 0 FGADHM CO[C@@H](C(=O)Nc1nc(-c2ccc3ccccc3n2)n[n-]1)C1CCCC1 ZINC000615124223 507762522 /nfs/dbraw/zinc/76/25/22/507762522.db2.gz VBTAKXUYXAARFS-MRXNPFEDSA-N -1 3 351.410 3.164 20 0 FGADHM CO[C@@H](C(=O)Nc1n[n-]c(-c2ccc3ccccc3n2)n1)C1CCCC1 ZINC000615124223 507762526 /nfs/dbraw/zinc/76/25/26/507762526.db2.gz VBTAKXUYXAARFS-MRXNPFEDSA-N -1 3 351.410 3.164 20 0 FGADHM COC(=O)c1cc(Cl)cc(NC(=O)c2sc(C)cc2OC)c1[O-] ZINC000588100909 507762954 /nfs/dbraw/zinc/76/29/54/507762954.db2.gz OVPSCQIQSOVLLY-UHFFFAOYSA-N -1 3 355.799 3.463 20 0 FGADHM CCCCc1ccc(NC(=O)[C@@H](C)[N-]S(=O)(=O)c2cccs2)cc1 ZINC000615230881 507781445 /nfs/dbraw/zinc/78/14/45/507781445.db2.gz ORTQSPAILVNNLB-CYBMUJFWSA-N -1 3 366.508 3.396 20 0 FGADHM C[C@@H](NC(=O)N=c1[n-]nc(C(F)(F)F)s1)[C@H](c1ccccc1)N(C)C ZINC000508904182 514949240 /nfs/dbraw/zinc/94/92/40/514949240.db2.gz YWKGALUAFSBAFE-MWLCHTKSSA-N -1 3 373.404 3.370 20 0 FGADHM CCN(CC)CCN(CC(C)C)C(=O)N=c1ccc(C(F)(F)F)n[n-]1 ZINC000471953582 515067401 /nfs/dbraw/zinc/06/74/01/515067401.db2.gz LZWZCXUOAJLSAH-UHFFFAOYSA-N -1 3 361.412 3.327 20 0 FGADHM O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)c1csc(=NC2CC2)[n-]1 ZINC000476813128 515202514 /nfs/dbraw/zinc/20/25/14/515202514.db2.gz HQCTZCXHWICIHS-MRXNPFEDSA-N -1 3 356.495 3.112 20 0 FGADHM Cn1[n-]c(=NC(=O)Cc2cccc(OC(F)(F)F)c2)cc1OC(F)F ZINC000490945444 515340393 /nfs/dbraw/zinc/34/03/93/515340393.db2.gz SZMMOXCTIJGDJM-UHFFFAOYSA-N -1 3 365.258 3.101 20 0 FGADHM CCN(Cc1ccc(CN(C)C)cc1)C(=O)N=c1ccc(OC(C)C)n[n-]1 ZINC000499491628 515345513 /nfs/dbraw/zinc/34/55/13/515345513.db2.gz VSVIFTPKUMSVDU-UHFFFAOYSA-N -1 3 371.485 3.379 20 0 FGADHM C[C@H]1CSCCN(C(=O)N=c2cc3ccc(Br)cn3[n-]2)C1 ZINC000482085823 515571460 /nfs/dbraw/zinc/57/14/60/515571460.db2.gz VRZPHJFGUBPYQI-SNVBAGLBSA-N -1 3 369.288 3.314 20 0 FGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)NCC(F)(F)C(F)F ZINC000482142791 515586288 /nfs/dbraw/zinc/58/62/88/515586288.db2.gz PZXZWXOJWBRMEZ-UHFFFAOYSA-N -1 3 369.116 3.119 20 0 FGADHM CSc1cccc(F)c1CNC(=O)N=c1cc(OC(F)F)n(C)[n-]1 ZINC000482371564 515663079 /nfs/dbraw/zinc/66/30/79/515663079.db2.gz URXRCFUJWDPYCP-UHFFFAOYSA-N -1 3 360.361 3.204 20 0 FGADHM CCN=c1[n-]c(C(=O)NCCc2ccc(F)c(Br)c2)cs1 ZINC000478263728 515758884 /nfs/dbraw/zinc/75/88/84/515758884.db2.gz SUBJITYCCGZFMO-UHFFFAOYSA-N -1 3 372.263 3.449 20 0 FGADHM Cc1cc(C(=O)N=c2cc(-c3ccncc3)[n-][nH]2)nn1-c1cccc(F)c1 ZINC000483224104 515993131 /nfs/dbraw/zinc/99/31/31/515993131.db2.gz MYKKEZRICUMBFP-UHFFFAOYSA-N -1 3 362.368 3.357 20 0 FGADHM Cc1nccc(NCc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)n1 ZINC000474786214 516195433 /nfs/dbraw/zinc/19/54/33/516195433.db2.gz QKUJCOPIRCBUEH-UHFFFAOYSA-N -1 3 372.425 3.337 20 0 FGADHM COCC1(C(=O)N=c2cc(-c3cc(F)cc(Br)c3)[n-][nH]2)CC1 ZINC000495885571 516217737 /nfs/dbraw/zinc/21/77/37/516217737.db2.gz UPVAJCALLABMBD-UHFFFAOYSA-N -1 3 368.206 3.343 20 0 FGADHM CN(C)CCn1ccc(N=C([O-])Nc2cc(-c3ccccc3)ns2)n1 ZINC000470383217 516230291 /nfs/dbraw/zinc/23/02/91/516230291.db2.gz NTBRFSBBWUYYGM-UHFFFAOYSA-N -1 3 356.455 3.212 20 0 FGADHM Cc1ccccc1-c1cc(=NC(=O)c2cccc(N3C(=O)CCC3=O)c2)[nH][n-]1 ZINC000512363436 516252468 /nfs/dbraw/zinc/25/24/68/516252468.db2.gz SGBFCXADRLTKEW-UHFFFAOYSA-N -1 3 374.400 3.291 20 0 FGADHM O=C(CCCNC(=O)c1ccc(F)cc1)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000497577136 516327059 /nfs/dbraw/zinc/32/70/59/516327059.db2.gz AKMMRLPSLPDZOC-UHFFFAOYSA-N -1 3 366.396 3.365 20 0 FGADHM Cn1cc(Br)c(=NC(=O)c2cccc([C@H]3CCCOC3)c2)[n-]1 ZINC000518380566 516637297 /nfs/dbraw/zinc/63/72/97/516637297.db2.gz ZZPUQXDRGWZIKA-ZDUSSCGKSA-N -1 3 364.243 3.329 20 0 FGADHM O=C(Nc1n[nH]c(-c2ccc(Cl)cc2)n1)c1csc(=NC2CC2)[n-]1 ZINC000532277381 516887114 /nfs/dbraw/zinc/88/71/14/516887114.db2.gz HCCXVGZCEYPGQG-UHFFFAOYSA-N -1 3 360.830 3.408 20 0 FGADHM NC(=O)c1cc(C(=O)N=c2cc(-c3cc(Cl)cc(Cl)c3)[n-][nH]2)co1 ZINC000544808802 516937201 /nfs/dbraw/zinc/93/72/01/516937201.db2.gz SIXZNLUNAOFBLQ-UHFFFAOYSA-N -1 3 365.176 3.328 20 0 FGADHM CSc1nc(=O)[n-]c(C)c1C(=O)N=c1cc(-c2ccccc2C)[nH][nH]1 ZINC000537121042 517045429 /nfs/dbraw/zinc/04/54/29/517045429.db2.gz XXTXLGYLDDVXSW-UHFFFAOYSA-N -1 3 355.423 3.163 20 0 FGADHM C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2csc(=NC3CC3)[n-]2)C1 ZINC000532659376 517086744 /nfs/dbraw/zinc/08/67/44/517086744.db2.gz KPRRBMCBQMBCGM-CZUORRHYSA-N -1 3 356.495 3.283 20 0 FGADHM O=C(N=c1ccc(C2CC2)n[n-]1)NC1CCN(CCc2ccccc2)CC1 ZINC000532985549 517236616 /nfs/dbraw/zinc/23/66/16/517236616.db2.gz RTEAMQJIWYDNJL-UHFFFAOYSA-N -1 3 365.481 3.183 20 0 FGADHM CSc1nc(=O)[n-]c(C)c1C(=O)N=c1[nH]n(C2CCCCC2)cc1C ZINC000542426869 517556273 /nfs/dbraw/zinc/55/62/73/517556273.db2.gz ASJIUYQHBPPBPY-UHFFFAOYSA-N -1 3 361.471 3.475 20 0 FGADHM C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)c1 ZINC000527209243 517563011 /nfs/dbraw/zinc/56/30/11/517563011.db2.gz SNYZVLOMLGXFNO-XFJVYGCCSA-N -1 3 354.410 3.108 20 0 FGADHM CSc1cc(C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)ccc1NC(C)=O ZINC000527209601 517563160 /nfs/dbraw/zinc/56/31/60/517563160.db2.gz GTMQATUCEKBSBK-AWEZNQCLSA-N -1 3 360.439 3.194 20 0 FGADHM CCc1[n-][nH]c(=NC(=O)c2cnn(C3CC3)c2)c1-c1ccc2c(c1)OCO2 ZINC000530263201 517664055 /nfs/dbraw/zinc/66/40/55/517664055.db2.gz MVUITBFBNGQYLT-UHFFFAOYSA-N -1 3 365.393 3.152 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@H](C)NC(=O)C2CCCC2)c1-c1ccc(C)cc1 ZINC000530272686 517671172 /nfs/dbraw/zinc/67/11/72/517671172.db2.gz MYOMLJXJSCMFGA-AWEZNQCLSA-N -1 3 354.454 3.327 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)C2CCN(CC(F)F)CC2)c1-c1ccccc1F ZINC000530275670 517672733 /nfs/dbraw/zinc/67/27/33/517672733.db2.gz MHMNNAJGJWUHRK-UHFFFAOYSA-N -1 3 366.387 3.440 20 0 FGADHM Cc1nc2c(cnn2C(C)C)cc1C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000527500111 517713208 /nfs/dbraw/zinc/71/32/08/517713208.db2.gz WOVIOURDZGTCBY-OAHLLOKOSA-N -1 3 354.414 3.148 20 0 FGADHM CCS[C@H]1CCCCN(C(=O)N=c2[n-]n(C)cc2Br)C1 ZINC000603043613 520042608 /nfs/dbraw/zinc/04/26/08/520042608.db2.gz LVKYHCAXGFIMRW-JTQLQIEISA-N -1 3 361.309 3.322 20 0 FGADHM CSC1CCN(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)CC1 ZINC000603042916 520042696 /nfs/dbraw/zinc/04/26/96/520042696.db2.gz JTKWLFOWHCGGHK-UHFFFAOYSA-N -1 3 356.801 3.458 20 0 FGADHM COC(=O)[C@@H]1CCC[C@H](C(=O)N=c2[nH][n-]c(C)c2-c2cccc(F)c2)C1 ZINC000603200001 520152847 /nfs/dbraw/zinc/15/28/47/520152847.db2.gz MFFOTPNGQJALFT-UONOGXRCSA-N -1 3 359.401 3.442 20 0 FGADHM Cc1ccccc1CN1CCC(NC(=O)c2csc(=NC3CC3)[n-]2)CC1 ZINC000607054316 521248170 /nfs/dbraw/zinc/24/81/70/521248170.db2.gz MXYCLQCADGPLQN-UHFFFAOYSA-N -1 3 370.522 3.420 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@H]2CCN(CC(F)(F)F)C2)c1-c1ccccc1F ZINC000630024396 522586353 /nfs/dbraw/zinc/58/63/53/522586353.db2.gz UGTLSNFOWJSPNI-NSHDSACASA-N -1 3 370.350 3.347 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@@H]2CC(=O)N[C@H]3CCCC[C@@H]23)c1-c1ccccc1F ZINC000630024697 522589015 /nfs/dbraw/zinc/58/90/15/522589015.db2.gz LNMGICFTFAJZAW-BJJXKVORSA-N -1 3 370.428 3.158 20 0 FGADHM CC(C)CN1C[C@@H](C(=O)N=c2cc(-c3cccc(Cl)c3)[n-][nH]2)CC1=O ZINC000622891310 523532837 /nfs/dbraw/zinc/53/28/37/523532837.db2.gz RQXZIZAYFQSTQW-ZDUSSCGKSA-N -1 3 360.845 3.173 20 0 FGADHM C[C@H]1CN(C(=O)N=c2cc3ccc(Br)cn3[n-]2)CCS1 ZINC000482111953 561248702 /nfs/dbraw/zinc/24/87/02/561248702.db2.gz FIOWTEVJTZMNCN-VIFPVBQESA-N -1 3 355.261 3.066 20 0 FGADHM CCOC(C)(C)CNC(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482204713 561250140 /nfs/dbraw/zinc/25/01/40/561250140.db2.gz ZNTPJPKADSRPCG-UHFFFAOYSA-N -1 3 355.236 3.033 20 0 FGADHM COc1ccc(C(=O)CCCC(=O)N=c2cc(OC(F)F)n(C)[n-]2)cc1 ZINC000506122667 561691128 /nfs/dbraw/zinc/69/11/28/561691128.db2.gz MKKCJSVAJFMEHF-UHFFFAOYSA-N -1 3 367.352 3.022 20 0 FGADHM CC(C)[C@@H](C)NC(=O)CSc1n[n-]c(COc2ccc(Cl)cc2)n1 ZINC000021232860 567834217 /nfs/dbraw/zinc/83/42/17/567834217.db2.gz PWOSJAHVEFYEGZ-LLVKDONJSA-N -1 3 368.890 3.290 20 0 FGADHM COC(=O)c1oc(C(=O)[N-]c2nn(CC(F)(F)F)cc2Cl)cc1C ZINC000602348357 567967996 /nfs/dbraw/zinc/96/79/96/567967996.db2.gz LBTQUQBQRVJGDE-UHFFFAOYSA-N -1 3 365.695 3.039 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)N1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000636822788 568116804 /nfs/dbraw/zinc/11/68/04/568116804.db2.gz JWPYSXPJEKTTOJ-OIISXLGYSA-N -1 3 350.434 3.147 20 0 FGADHM CC(C)c1cc(C(=O)N2CCC(c3nc(N)n[nH]3)CC2)c([O-])c(C(C)C)c1 ZINC000647733884 568133404 /nfs/dbraw/zinc/13/34/04/568133404.db2.gz CTMCTOKVTDEXPI-UHFFFAOYSA-N -1 3 371.485 3.189 20 0 FGADHM COc1cccc(S(=O)(=O)[N-][C@@H](C)c2c(F)cccc2OC)c1F ZINC000655525227 568148156 /nfs/dbraw/zinc/14/81/56/568148156.db2.gz IHKGLJNFEQBKAA-JTQLQIEISA-N -1 3 357.378 3.022 20 0 FGADHM CCCCNC(=S)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000736459986 598827556 /nfs/dbraw/zinc/82/75/56/598827556.db2.gz DCLLNABLQBTDDL-UHFFFAOYSA-N -1 3 372.523 3.359 20 0 FGADHM CC[C@@H](c1ccncc1)N(CC)C(=O)C=Cc1cccc(-c2nnn[n-]2)c1 ZINC000736395968 598838660 /nfs/dbraw/zinc/83/86/60/598838660.db2.gz KTKDKGYUCPLJBF-GIFJBRJJSA-N -1 3 362.437 3.275 20 0 FGADHM CC[C@@H](c1ccncc1)N(CC)C(=O)C=Cc1cccc(-c2nn[n-]n2)c1 ZINC000736395968 598838661 /nfs/dbraw/zinc/83/86/61/598838661.db2.gz KTKDKGYUCPLJBF-GIFJBRJJSA-N -1 3 362.437 3.275 20 0 FGADHM O=C(Nc1ccc(OCC2CC2)cc1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000738175179 598839461 /nfs/dbraw/zinc/83/94/61/598839461.db2.gz VQNIXDHCLNLQLQ-UHFFFAOYSA-N -1 3 350.382 3.300 20 0 FGADHM O=C(Nc1ccc(OCC2CC2)cc1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000738175179 598839463 /nfs/dbraw/zinc/83/94/63/598839463.db2.gz VQNIXDHCLNLQLQ-UHFFFAOYSA-N -1 3 350.382 3.300 20 0 FGADHM CC(C)[C@H](OC(=O)CCc1ccc(-c2nnn[n-]2)cc1)c1ccccn1 ZINC000735736693 598854997 /nfs/dbraw/zinc/85/49/97/598854997.db2.gz YQLFQWDXIGHPTC-SFHVURJKSA-N -1 3 351.410 3.135 20 0 FGADHM CC(C)[C@H](OC(=O)CCc1ccc(-c2nn[n-]n2)cc1)c1ccccn1 ZINC000735736693 598854998 /nfs/dbraw/zinc/85/49/98/598854998.db2.gz YQLFQWDXIGHPTC-SFHVURJKSA-N -1 3 351.410 3.135 20 0 FGADHM Clc1cc(-c2nnn[n-]2)cnc1NCc1ccccc1OCC1CC1 ZINC000737558150 598855960 /nfs/dbraw/zinc/85/59/60/598855960.db2.gz LHKCUSJFQDSSOO-UHFFFAOYSA-N -1 3 356.817 3.316 20 0 FGADHM Clc1cc(-c2nn[n-]n2)cnc1NCc1ccccc1OCC1CC1 ZINC000737558150 598855962 /nfs/dbraw/zinc/85/59/62/598855962.db2.gz LHKCUSJFQDSSOO-UHFFFAOYSA-N -1 3 356.817 3.316 20 0 FGADHM COC(=O)[C@@H](N[C@@H](c1ccccc1)C(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736898616 598858905 /nfs/dbraw/zinc/85/89/05/598858905.db2.gz VONFXASUYCJBQL-MSOLQXFVSA-N -1 3 365.437 3.068 20 0 FGADHM COC(=O)[C@@H](N[C@@H](c1ccccc1)C(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736898616 598858906 /nfs/dbraw/zinc/85/89/06/598858906.db2.gz VONFXASUYCJBQL-MSOLQXFVSA-N -1 3 365.437 3.068 20 0 FGADHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)c1cc2ccccc2o1 ZINC000736039241 598883020 /nfs/dbraw/zinc/88/30/20/598883020.db2.gz HUGRZUWOJGJOKJ-GFCCVEGCSA-N -1 3 364.361 3.237 20 0 FGADHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)c1cc2ccccc2o1 ZINC000736039241 598883021 /nfs/dbraw/zinc/88/30/21/598883021.db2.gz HUGRZUWOJGJOKJ-GFCCVEGCSA-N -1 3 364.361 3.237 20 0 FGADHM COC(=O)[C@@H](N[C@H](C)c1ccc(C)c(C)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736896513 598883620 /nfs/dbraw/zinc/88/36/20/598883620.db2.gz OEYRNIUNZCECOS-KDOFPFPSSA-N -1 3 365.437 3.048 20 0 FGADHM COC(=O)[C@@H](N[C@H](C)c1ccc(C)c(C)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736896513 598883622 /nfs/dbraw/zinc/88/36/22/598883622.db2.gz OEYRNIUNZCECOS-KDOFPFPSSA-N -1 3 365.437 3.048 20 0 FGADHM Cc1cc(C(=O)O[C@H](C)COc2cccc(-c3nnn[n-]3)c2)sc1C ZINC000737238465 598885530 /nfs/dbraw/zinc/88/55/30/598885530.db2.gz NNYADUPVOLBOMW-LLVKDONJSA-N -1 3 358.423 3.169 20 0 FGADHM Cc1cc(C(=O)O[C@H](C)COc2cccc(-c3nn[n-]n3)c2)sc1C ZINC000737238465 598885532 /nfs/dbraw/zinc/88/55/32/598885532.db2.gz NNYADUPVOLBOMW-LLVKDONJSA-N -1 3 358.423 3.169 20 0 FGADHM CSc1ccc(C(=O)O[C@H](C)COc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737193405 598889457 /nfs/dbraw/zinc/88/94/57/598889457.db2.gz RAJCVVWSVJWYDJ-GFCCVEGCSA-N -1 3 370.434 3.213 20 0 FGADHM CSc1ccc(C(=O)O[C@H](C)COc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737193405 598889458 /nfs/dbraw/zinc/88/94/58/598889458.db2.gz RAJCVVWSVJWYDJ-GFCCVEGCSA-N -1 3 370.434 3.213 20 0 FGADHM Cc1cc(C)c(-c2nnn[n-]2)c(Nc2ccc(N3CCCCC3)nc2)n1 ZINC000737239726 598890731 /nfs/dbraw/zinc/89/07/31/598890731.db2.gz GCIYHWDQHADAPP-UHFFFAOYSA-N -1 3 350.430 3.007 20 0 FGADHM Cc1cc(C)c(-c2nn[n-]n2)c(Nc2ccc(N3CCCCC3)nc2)n1 ZINC000737239726 598890733 /nfs/dbraw/zinc/89/07/33/598890733.db2.gz GCIYHWDQHADAPP-UHFFFAOYSA-N -1 3 350.430 3.007 20 0 FGADHM C[C@@H](NC(=O)NC1(c2cccc(F)c2)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736114622 598903284 /nfs/dbraw/zinc/90/32/84/598903284.db2.gz VEBJRDUNKMPZOI-GFCCVEGCSA-N -1 3 366.400 3.055 20 0 FGADHM C[C@@H](NC(=O)NC1(c2cccc(F)c2)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736114622 598903285 /nfs/dbraw/zinc/90/32/85/598903285.db2.gz VEBJRDUNKMPZOI-GFCCVEGCSA-N -1 3 366.400 3.055 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cc2ccccn2c1 ZINC000736481710 598903306 /nfs/dbraw/zinc/90/33/06/598903306.db2.gz SUDXIJBQGMUDMZ-UHFFFAOYSA-N -1 3 360.421 3.172 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cc2ccccn2c1 ZINC000736481710 598903308 /nfs/dbraw/zinc/90/33/08/598903308.db2.gz SUDXIJBQGMUDMZ-UHFFFAOYSA-N -1 3 360.421 3.172 20 0 FGADHM CC[C@H]1c2ccccc2CCN1C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000736404738 598907192 /nfs/dbraw/zinc/90/71/92/598907192.db2.gz AGCKMWFSQKCODY-CVTTXWKISA-N -1 3 359.433 3.416 20 0 FGADHM CC[C@H]1c2ccccc2CCN1C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000736404738 598907193 /nfs/dbraw/zinc/90/71/93/598907193.db2.gz AGCKMWFSQKCODY-CVTTXWKISA-N -1 3 359.433 3.416 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)[C@@H]1Cc2ccccc21 ZINC000736625516 598923441 /nfs/dbraw/zinc/92/34/41/598923441.db2.gz AUAICDKBHUUIOA-CYBMUJFWSA-N -1 3 370.796 3.164 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)[C@@H]1Cc2ccccc21 ZINC000736625516 598923444 /nfs/dbraw/zinc/92/34/44/598923444.db2.gz AUAICDKBHUUIOA-CYBMUJFWSA-N -1 3 370.796 3.164 20 0 FGADHM CN(C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)[C@H]1CCc2ccccc2C1 ZINC000736749808 598923679 /nfs/dbraw/zinc/92/36/79/598923679.db2.gz SENDEABLHVEESS-HNNXBMFYSA-N -1 3 366.400 3.027 20 0 FGADHM CN(C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)[C@H]1CCc2ccccc2C1 ZINC000736749808 598923681 /nfs/dbraw/zinc/92/36/81/598923681.db2.gz SENDEABLHVEESS-HNNXBMFYSA-N -1 3 366.400 3.027 20 0 FGADHM CC[C@@H](C)NC(=O)c1ccc(Nc2ncc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000736323233 598938824 /nfs/dbraw/zinc/93/88/24/598938824.db2.gz CTEQNHLBDGYQOY-SNVBAGLBSA-N -1 3 371.832 3.187 20 0 FGADHM CC[C@@H](C)NC(=O)c1ccc(Nc2ncc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000736323233 598938826 /nfs/dbraw/zinc/93/88/26/598938826.db2.gz CTEQNHLBDGYQOY-SNVBAGLBSA-N -1 3 371.832 3.187 20 0 FGADHM Fc1ccc(CN(c2ncc(-c3nnn[n-]3)cc2Cl)C2CC2)c(F)c1 ZINC000737647598 598939554 /nfs/dbraw/zinc/93/95/54/598939554.db2.gz HCCKKHVPWIHJKZ-UHFFFAOYSA-N -1 3 362.771 3.362 20 0 FGADHM Fc1ccc(CN(c2ncc(-c3nn[n-]n3)cc2Cl)C2CC2)c(F)c1 ZINC000737647598 598939556 /nfs/dbraw/zinc/93/95/56/598939556.db2.gz HCCKKHVPWIHJKZ-UHFFFAOYSA-N -1 3 362.771 3.362 20 0 FGADHM O=C1[C@H](Nc2ccc3ccccc3c2)CCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000738294250 598960485 /nfs/dbraw/zinc/96/04/85/598960485.db2.gz APGVDYVDFBEAIU-LJQANCHMSA-N -1 3 370.416 3.237 20 0 FGADHM O=C1[C@H](Nc2ccc3ccccc3c2)CCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738294250 598960486 /nfs/dbraw/zinc/96/04/86/598960486.db2.gz APGVDYVDFBEAIU-LJQANCHMSA-N -1 3 370.416 3.237 20 0 FGADHM c1cc(-c2nnn[n-]2)ccc1CNc1ccc(OC[C@H]2CCCO2)cc1 ZINC000738413592 598963538 /nfs/dbraw/zinc/96/35/38/598963538.db2.gz XWOKSZNNNRLWTJ-GOSISDBHSA-N -1 3 351.410 3.037 20 0 FGADHM c1cc(-c2nn[n-]n2)ccc1CNc1ccc(OC[C@H]2CCCO2)cc1 ZINC000738413592 598963540 /nfs/dbraw/zinc/96/35/40/598963540.db2.gz XWOKSZNNNRLWTJ-GOSISDBHSA-N -1 3 351.410 3.037 20 0 FGADHM Cc1cccnc1[C@@H](NC(=S)Nc1ccccc1-c1nnn[n-]1)C(C)C ZINC000737437136 598978058 /nfs/dbraw/zinc/97/80/58/598978058.db2.gz XPJOFLYJCZBFOT-HNNXBMFYSA-N -1 3 367.482 3.254 20 0 FGADHM Cc1cccnc1[C@@H](NC(=S)Nc1ccccc1-c1nn[n-]n1)C(C)C ZINC000737437136 598978060 /nfs/dbraw/zinc/97/80/60/598978060.db2.gz XPJOFLYJCZBFOT-HNNXBMFYSA-N -1 3 367.482 3.254 20 0 FGADHM CCC[C@H](C)NC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736424254 598980150 /nfs/dbraw/zinc/98/01/50/598980150.db2.gz OYTXJTIHZHATPG-AWEZNQCLSA-N -1 3 365.437 3.364 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OCCSCc1ccc(C)cc1 ZINC000737032482 599009456 /nfs/dbraw/zinc/00/94/56/599009456.db2.gz MDAXYOGDCQJYSD-UHFFFAOYSA-N -1 3 356.451 3.496 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OCCSCc1ccc(C)cc1 ZINC000737032482 599009457 /nfs/dbraw/zinc/00/94/57/599009457.db2.gz MDAXYOGDCQJYSD-UHFFFAOYSA-N -1 3 356.451 3.496 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)OCCOC1CCCCCC1 ZINC000737804181 599015545 /nfs/dbraw/zinc/01/55/45/599015545.db2.gz ZGPRBXBCHQVKFG-QXMHVHEDSA-N -1 3 356.426 3.163 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)OCCOC1CCCCCC1 ZINC000737804181 599015547 /nfs/dbraw/zinc/01/55/47/599015547.db2.gz ZGPRBXBCHQVKFG-QXMHVHEDSA-N -1 3 356.426 3.163 20 0 FGADHM CC(C)(C)Oc1ccccc1NC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000735639109 599017848 /nfs/dbraw/zinc/01/78/48/599017848.db2.gz APKDNJAPWLEKES-UHFFFAOYSA-N -1 3 367.409 3.062 20 0 FGADHM O=C(OCc1nc(-c2ccccc2)cs1)c1sccc1-c1nnn[n-]1 ZINC000738244895 599027279 /nfs/dbraw/zinc/02/72/79/599027279.db2.gz MDMSVKWMYACSAQ-UHFFFAOYSA-N -1 3 369.431 3.409 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cccc2ccc(C)nc21 ZINC000736634551 599034808 /nfs/dbraw/zinc/03/48/08/599034808.db2.gz LFBIGXRDUTWKQB-UHFFFAOYSA-N -1 3 374.404 3.374 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cccc2ccc(C)nc21 ZINC000736634551 599034812 /nfs/dbraw/zinc/03/48/12/599034812.db2.gz LFBIGXRDUTWKQB-UHFFFAOYSA-N -1 3 374.404 3.374 20 0 FGADHM C[C@@]1(c2ccccc2)C[C@H]1Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000820633679 599037937 /nfs/dbraw/zinc/03/79/37/599037937.db2.gz CSXMSXOFWZYSJB-CJNGLKHVSA-N -1 3 360.343 3.423 20 0 FGADHM C[C@@]1(c2ccccc2)C[C@H]1Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000820633679 599037940 /nfs/dbraw/zinc/03/79/40/599037940.db2.gz CSXMSXOFWZYSJB-CJNGLKHVSA-N -1 3 360.343 3.423 20 0 FGADHM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)cc2F)C[C@H](c2ccc(F)cc2)O1 ZINC000820766887 599038486 /nfs/dbraw/zinc/03/84/86/599038486.db2.gz DQUYOEQBRVWJBB-PIGZYNQJSA-N -1 3 357.364 3.111 20 0 FGADHM COC(=O)C(C)(C)c1ccc(Nc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000821638855 599039840 /nfs/dbraw/zinc/03/98/40/599039840.db2.gz JOTCTGZFFBWBGE-UHFFFAOYSA-N -1 3 355.373 3.200 20 0 FGADHM COC(=O)C(C)(C)c1ccc(Nc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000821638855 599039842 /nfs/dbraw/zinc/03/98/42/599039842.db2.gz JOTCTGZFFBWBGE-UHFFFAOYSA-N -1 3 355.373 3.200 20 0 FGADHM C[C@H](CNc1c(-c2nnn[n-]2)cnc2ccccc21)Cc1cccs1 ZINC000820275818 599040754 /nfs/dbraw/zinc/04/07/54/599040754.db2.gz SCPNQXXIVHIVET-LBPRGKRZSA-N -1 3 350.451 3.189 20 0 FGADHM C[C@H](CNc1c(-c2nn[n-]n2)cnc2ccccc21)Cc1cccs1 ZINC000820275818 599040757 /nfs/dbraw/zinc/04/07/57/599040757.db2.gz SCPNQXXIVHIVET-LBPRGKRZSA-N -1 3 350.451 3.189 20 0 FGADHM C[C@H]1CCCC[C@@H]1OCCNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000736267559 599043879 /nfs/dbraw/zinc/04/38/79/599043879.db2.gz BPGXYCUFSULDGJ-JQWIXIFHSA-N -1 3 370.379 3.288 20 0 FGADHM C[C@H]1CCCC[C@@H]1OCCNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000736267559 599043880 /nfs/dbraw/zinc/04/38/80/599043880.db2.gz BPGXYCUFSULDGJ-JQWIXIFHSA-N -1 3 370.379 3.288 20 0 FGADHM C[C@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000736192943 599063690 /nfs/dbraw/zinc/06/36/90/599063690.db2.gz NZXGFPVOXWZKFW-UHIISALHSA-N -1 3 363.462 3.181 20 0 FGADHM C[C@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000736192943 599063694 /nfs/dbraw/zinc/06/36/94/599063694.db2.gz NZXGFPVOXWZKFW-UHIISALHSA-N -1 3 363.462 3.181 20 0 FGADHM Fc1cc(-c2nnn[n-]2)ccc1SCc1noc(-c2cccs2)n1 ZINC000737645447 599065853 /nfs/dbraw/zinc/06/58/53/599065853.db2.gz YSDVRHJVZOWRKN-UHFFFAOYSA-N -1 3 360.399 3.410 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1SCc1noc(-c2cccs2)n1 ZINC000737645447 599065855 /nfs/dbraw/zinc/06/58/55/599065855.db2.gz YSDVRHJVZOWRKN-UHFFFAOYSA-N -1 3 360.399 3.410 20 0 FGADHM Fc1cc(-c2nnn[n-]2)ccc1SCc1noc(-c2ccsc2)n1 ZINC000737645101 599066421 /nfs/dbraw/zinc/06/64/21/599066421.db2.gz RGFGFDJVFVKQDN-UHFFFAOYSA-N -1 3 360.399 3.410 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1SCc1noc(-c2ccsc2)n1 ZINC000737645101 599066424 /nfs/dbraw/zinc/06/64/24/599066424.db2.gz RGFGFDJVFVKQDN-UHFFFAOYSA-N -1 3 360.399 3.410 20 0 FGADHM COc1ccc(NC(=O)[C@H](C)Sc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000737101352 599068007 /nfs/dbraw/zinc/06/80/07/599068007.db2.gz DOYAZFKTCZKSNU-JTQLQIEISA-N -1 3 373.413 3.134 20 0 FGADHM COc1ccc(NC(=O)[C@H](C)Sc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000737101352 599068009 /nfs/dbraw/zinc/06/80/09/599068009.db2.gz DOYAZFKTCZKSNU-JTQLQIEISA-N -1 3 373.413 3.134 20 0 FGADHM CCc1ccc(CC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)cc1 ZINC000736683924 599071984 /nfs/dbraw/zinc/07/19/84/599071984.db2.gz SRQLWNWAIWLECF-UHFFFAOYSA-N -1 3 363.465 3.409 20 0 FGADHM CCc1ccc(CC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)cc1 ZINC000736683924 599071987 /nfs/dbraw/zinc/07/19/87/599071987.db2.gz SRQLWNWAIWLECF-UHFFFAOYSA-N -1 3 363.465 3.409 20 0 FGADHM C[C@H](CNc1nc2c(cc1-c1nnn[n-]1)CCC2)Sc1ccccc1 ZINC000820280968 599080635 /nfs/dbraw/zinc/08/06/35/599080635.db2.gz QGOHBEHJDXOHOD-GFCCVEGCSA-N -1 3 352.467 3.343 20 0 FGADHM C[C@H](CNc1nc2c(cc1-c1nn[n-]n1)CCC2)Sc1ccccc1 ZINC000820280968 599080637 /nfs/dbraw/zinc/08/06/37/599080637.db2.gz QGOHBEHJDXOHOD-GFCCVEGCSA-N -1 3 352.467 3.343 20 0 FGADHM CCc1ccc([C@@H]2CCCCN2C(=O)c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000736684941 599084007 /nfs/dbraw/zinc/08/40/07/599084007.db2.gz IFLCHNIDKYTICW-INIZCTEOSA-N -1 3 351.410 3.390 20 0 FGADHM CCc1ccc([C@@H]2CCCCN2C(=O)c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000736684941 599084010 /nfs/dbraw/zinc/08/40/10/599084010.db2.gz IFLCHNIDKYTICW-INIZCTEOSA-N -1 3 351.410 3.390 20 0 FGADHM CCO[C@H]1C[C@H](N(C)C(=O)c2ccc(-c3nnn[n-]3)cc2)C12CCCCC2 ZINC000736614610 599097163 /nfs/dbraw/zinc/09/71/63/599097163.db2.gz HLMIZKAGFRBBOB-IRXDYDNUSA-N -1 3 369.469 3.067 20 0 FGADHM CCO[C@H]1C[C@H](N(C)C(=O)c2ccc(-c3nn[n-]n3)cc2)C12CCCCC2 ZINC000736614610 599097166 /nfs/dbraw/zinc/09/71/66/599097166.db2.gz HLMIZKAGFRBBOB-IRXDYDNUSA-N -1 3 369.469 3.067 20 0 FGADHM Cc1cccc([C@@H](C)NC(=O)NCc2cccc(-c3nnn[n-]3)c2)c1C ZINC000737386093 599104774 /nfs/dbraw/zinc/10/47/74/599104774.db2.gz ARNWHHMNXSMSRP-CQSZACIVSA-N -1 3 350.426 3.044 20 0 FGADHM Cc1cccc([C@@H](C)NC(=O)NCc2cccc(-c3nn[n-]n3)c2)c1C ZINC000737386093 599104776 /nfs/dbraw/zinc/10/47/76/599104776.db2.gz ARNWHHMNXSMSRP-CQSZACIVSA-N -1 3 350.426 3.044 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N(Cc1ccc(F)cc1)CC1CC1 ZINC000738152733 599104781 /nfs/dbraw/zinc/10/47/81/599104781.db2.gz ZWUIHUGNUMIBTF-UHFFFAOYSA-N -1 3 366.400 3.450 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N(Cc1ccc(F)cc1)CC1CC1 ZINC000738152733 599104783 /nfs/dbraw/zinc/10/47/83/599104783.db2.gz ZWUIHUGNUMIBTF-UHFFFAOYSA-N -1 3 366.400 3.450 20 0 FGADHM CCc1sc(C(=O)N(CCOC)c2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000736713620 599114467 /nfs/dbraw/zinc/11/44/67/599114467.db2.gz PLUBCXUVNZMJAJ-UHFFFAOYSA-N -1 3 371.466 3.092 20 0 FGADHM CCc1sc(C(=O)N(CCOC)c2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000736713620 599114470 /nfs/dbraw/zinc/11/44/70/599114470.db2.gz PLUBCXUVNZMJAJ-UHFFFAOYSA-N -1 3 371.466 3.092 20 0 FGADHM COc1ccccc1[C@@H](C)SCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000821882546 599128257 /nfs/dbraw/zinc/12/82/57/599128257.db2.gz DJKRRKUEJZZQHN-GFCCVEGCSA-N -1 3 369.450 3.308 20 0 FGADHM COc1ccccc1[C@@H](C)SCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000821882546 599128260 /nfs/dbraw/zinc/12/82/60/599128260.db2.gz DJKRRKUEJZZQHN-GFCCVEGCSA-N -1 3 369.450 3.308 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H](C)CCc1cccc(F)c1 ZINC000821756270 599148231 /nfs/dbraw/zinc/14/82/31/599148231.db2.gz MWYANIQEYMGEHR-LBPRGKRZSA-N -1 3 369.400 3.222 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H](C)CCc1cccc(F)c1 ZINC000821756270 599148232 /nfs/dbraw/zinc/14/82/32/599148232.db2.gz MWYANIQEYMGEHR-LBPRGKRZSA-N -1 3 369.400 3.222 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cc2cc(C)c(C)cc2o1 ZINC000821766459 599148384 /nfs/dbraw/zinc/14/83/84/599148384.db2.gz XJSBWVLKONGJJZ-UHFFFAOYSA-N -1 3 363.377 3.491 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc2cc(C)c(C)cc2o1 ZINC000821766459 599148387 /nfs/dbraw/zinc/14/83/87/599148387.db2.gz XJSBWVLKONGJJZ-UHFFFAOYSA-N -1 3 363.377 3.491 20 0 FGADHM COC[C@@H](C)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000821682354 599155634 /nfs/dbraw/zinc/15/56/34/599155634.db2.gz CHCOQGJPEWBJGV-CQSZACIVSA-N -1 3 353.426 3.201 20 0 FGADHM COC[C@@H](C)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000821682354 599155635 /nfs/dbraw/zinc/15/56/35/599155635.db2.gz CHCOQGJPEWBJGV-CQSZACIVSA-N -1 3 353.426 3.201 20 0 FGADHM CC[C@@H](C)C[C@H](C)NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000820870336 599160241 /nfs/dbraw/zinc/16/02/41/599160241.db2.gz QSIZFHWBLFFNSD-CABCVRRESA-N -1 3 359.474 3.357 20 0 FGADHM CC[C@@H](C)C[C@H](C)NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000820870336 599160242 /nfs/dbraw/zinc/16/02/42/599160242.db2.gz QSIZFHWBLFFNSD-CABCVRRESA-N -1 3 359.474 3.357 20 0 FGADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCC[C@H](C(C)(C)C)CC1 ZINC000736184463 599162065 /nfs/dbraw/zinc/16/20/65/599162065.db2.gz ZRDWJJWHIFWHGK-CABCVRRESA-N -1 3 371.485 3.309 20 0 FGADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCC[C@H](C(C)(C)C)CC1 ZINC000736184463 599162067 /nfs/dbraw/zinc/16/20/67/599162067.db2.gz ZRDWJJWHIFWHGK-CABCVRRESA-N -1 3 371.485 3.309 20 0 FGADHM C[C@@H]1C[C@H](CC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)CC(C)(C)C1 ZINC000820659441 599165857 /nfs/dbraw/zinc/16/58/57/599165857.db2.gz XHCODQVTTVUPEC-CHWSQXEVSA-N -1 3 359.449 3.475 20 0 FGADHM C[C@@H]1C[C@H](CC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)CC(C)(C)C1 ZINC000820659441 599165860 /nfs/dbraw/zinc/16/58/60/599165860.db2.gz XHCODQVTTVUPEC-CHWSQXEVSA-N -1 3 359.449 3.475 20 0 FGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cc(C(C)(C)C)on1 ZINC000735873172 599181891 /nfs/dbraw/zinc/18/18/91/599181891.db2.gz AQAGPSOONXQPKN-UHFFFAOYSA-N -1 3 368.441 3.203 20 0 FGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cc(C(C)(C)C)on1 ZINC000735873172 599181893 /nfs/dbraw/zinc/18/18/93/599181893.db2.gz AQAGPSOONXQPKN-UHFFFAOYSA-N -1 3 368.441 3.203 20 0 FGADHM CC(C)Sc1ccccc1C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000820183708 599182481 /nfs/dbraw/zinc/18/24/81/599182481.db2.gz JKFDKZVNWCKEHI-UHFFFAOYSA-N -1 3 371.441 3.436 20 0 FGADHM CC(C)Sc1ccccc1C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000820183708 599182482 /nfs/dbraw/zinc/18/24/82/599182482.db2.gz JKFDKZVNWCKEHI-UHFFFAOYSA-N -1 3 371.441 3.436 20 0 FGADHM C[C@@H](NC(=O)N1CCC(C(C)(C)C)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736112131 599182534 /nfs/dbraw/zinc/18/25/34/599182534.db2.gz QDTQIMORYIBBHS-CYBMUJFWSA-N -1 3 356.474 3.395 20 0 FGADHM C[C@@H](NC(=O)N1CCC(C(C)(C)C)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736112131 599182536 /nfs/dbraw/zinc/18/25/36/599182536.db2.gz QDTQIMORYIBBHS-CYBMUJFWSA-N -1 3 356.474 3.395 20 0 FGADHM C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820668831 599190390 /nfs/dbraw/zinc/19/03/90/599190390.db2.gz XDAPBVINVPFSKS-UGSOOPFHSA-N -1 3 365.412 3.158 20 0 FGADHM C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820668831 599190393 /nfs/dbraw/zinc/19/03/93/599190393.db2.gz XDAPBVINVPFSKS-UGSOOPFHSA-N -1 3 365.412 3.158 20 0 FGADHM Cc1cccc(C)c1NC(=O)CNc1cccc(Cl)c1-c1nnn[n-]1 ZINC000822293737 599196056 /nfs/dbraw/zinc/19/60/56/599196056.db2.gz JXCLXDXKKLHNFT-UHFFFAOYSA-N -1 3 356.817 3.188 20 0 FGADHM Cc1cccc(C)c1NC(=O)CNc1cccc(Cl)c1-c1nn[n-]n1 ZINC000822293737 599196058 /nfs/dbraw/zinc/19/60/58/599196058.db2.gz JXCLXDXKKLHNFT-UHFFFAOYSA-N -1 3 356.817 3.188 20 0 FGADHM C[C@H]1C[C@H]1NC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000736235065 599199201 /nfs/dbraw/zinc/19/92/01/599199201.db2.gz CZVRUFBBCNYNDR-ZUZCIYMTSA-N -1 3 369.812 3.451 20 0 FGADHM C[C@H]1C[C@H]1NC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000736235065 599199203 /nfs/dbraw/zinc/19/92/03/599199203.db2.gz CZVRUFBBCNYNDR-ZUZCIYMTSA-N -1 3 369.812 3.451 20 0 FGADHM O=C(NCC1CC1)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000738043278 599200761 /nfs/dbraw/zinc/20/07/61/599200761.db2.gz BTALBYWXPLTHFE-UHFFFAOYSA-N -1 3 369.812 3.452 20 0 FGADHM C[C@H]1CN(C(=O)c2sccc2-c2nnn[n-]2)c2cc(Cl)ccc2O1 ZINC000820741539 599204657 /nfs/dbraw/zinc/20/46/57/599204657.db2.gz DDRCQTJVUTXSBO-QMMMGPOBSA-N -1 3 361.814 3.009 20 0 FGADHM C[C@H]1CN(C(=O)c2sccc2-c2nn[n-]n2)c2cc(Cl)ccc2O1 ZINC000820741539 599204660 /nfs/dbraw/zinc/20/46/60/599204660.db2.gz DDRCQTJVUTXSBO-QMMMGPOBSA-N -1 3 361.814 3.009 20 0 FGADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCCCC1CCCC1 ZINC000820525589 599206497 /nfs/dbraw/zinc/20/64/97/599206497.db2.gz GNFOFXLPNOEQMD-AWEZNQCLSA-N -1 3 357.458 3.111 20 0 FGADHM CN1CCCN(C(=O)c2ccc(-c3nnn[n-]3)cc2)c2cc(Cl)ccc21 ZINC000736860826 599210750 /nfs/dbraw/zinc/21/07/50/599210750.db2.gz WZZFFMLUKQXVKP-UHFFFAOYSA-N -1 3 368.828 3.007 20 0 FGADHM CN1CCCN(C(=O)c2ccc(-c3nn[n-]n3)cc2)c2cc(Cl)ccc21 ZINC000736860826 599210752 /nfs/dbraw/zinc/21/07/52/599210752.db2.gz WZZFFMLUKQXVKP-UHFFFAOYSA-N -1 3 368.828 3.007 20 0 FGADHM COCCN(C(=O)C[C@@H]1CCCC[C@H]1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736989541 599206708 /nfs/dbraw/zinc/20/67/08/599206708.db2.gz VLYBGBNUWOWQBS-ZBFHGGJFSA-N -1 3 357.458 3.063 20 0 FGADHM COCCN(C(=O)C[C@@H]1CCCC[C@H]1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736989541 599206709 /nfs/dbraw/zinc/20/67/09/599206709.db2.gz VLYBGBNUWOWQBS-ZBFHGGJFSA-N -1 3 357.458 3.063 20 0 FGADHM Cc1cc(C)cc(C[C@H](C)NC(=O)CCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737253074 599230991 /nfs/dbraw/zinc/23/09/91/599230991.db2.gz PJVDDSMOGCUSRH-INIZCTEOSA-N -1 3 363.465 3.164 20 0 FGADHM Cc1cc(C)cc(C[C@H](C)NC(=O)CCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737253074 599230993 /nfs/dbraw/zinc/23/09/93/599230993.db2.gz PJVDDSMOGCUSRH-INIZCTEOSA-N -1 3 363.465 3.164 20 0 FGADHM C[C@@H]1C[C@@H]1[C@H](NC(=O)c1ccc(-c2nnn[n-]2)cn1)c1ccc(Cl)cc1 ZINC000736234770 599226754 /nfs/dbraw/zinc/22/67/54/599226754.db2.gz KJFXHZUHBIKSTN-FUEDEBDSSA-N -1 3 368.828 3.042 20 0 FGADHM C[C@@H]1C[C@@H]1[C@H](NC(=O)c1ccc(-c2nn[n-]n2)cn1)c1ccc(Cl)cc1 ZINC000736234770 599226757 /nfs/dbraw/zinc/22/67/57/599226757.db2.gz KJFXHZUHBIKSTN-FUEDEBDSSA-N -1 3 368.828 3.042 20 0 FGADHM CCCOc1cccc(CC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000821134291 607264506 /nfs/dbraw/zinc/26/45/06/607264506.db2.gz SDOXWJUYZWOGCZ-AWEZNQCLSA-N -1 3 365.437 3.075 20 0 FGADHM CCCOc1cccc(CC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000821134291 607264507 /nfs/dbraw/zinc/26/45/07/607264507.db2.gz SDOXWJUYZWOGCZ-AWEZNQCLSA-N -1 3 365.437 3.075 20 0 FGADHM Cc1c(NC(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)cccc1-c1nnn[n-]1 ZINC000822060721 607266946 /nfs/dbraw/zinc/26/69/46/607266946.db2.gz IGHDHDYQUILLTL-GXTWGEPZSA-N -1 3 355.348 3.196 20 0 FGADHM Cc1c(NC(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)cccc1-c1nn[n-]n1 ZINC000822060721 607266947 /nfs/dbraw/zinc/26/69/47/607266947.db2.gz IGHDHDYQUILLTL-GXTWGEPZSA-N -1 3 355.348 3.196 20 0 FGADHM Cc1c(NC(=O)[C@H]2C[C@@]23CCCc2ccccc23)cccc1-c1nnn[n-]1 ZINC000822061321 607267907 /nfs/dbraw/zinc/26/79/07/607267907.db2.gz MJXLWRUFPYJXDN-DYESRHJHSA-N -1 3 359.433 3.408 20 0 FGADHM Cc1c(NC(=O)[C@H]2C[C@@]23CCCc2ccccc23)cccc1-c1nn[n-]n1 ZINC000822061321 607267908 /nfs/dbraw/zinc/26/79/08/607267908.db2.gz MJXLWRUFPYJXDN-DYESRHJHSA-N -1 3 359.433 3.408 20 0 FGADHM CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000820021037 599240437 /nfs/dbraw/zinc/24/04/37/599240437.db2.gz OHPQGBCJXFGGCZ-KRWDZBQOSA-N -1 3 368.416 3.395 20 0 FGADHM CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000820021037 599240438 /nfs/dbraw/zinc/24/04/38/599240438.db2.gz OHPQGBCJXFGGCZ-KRWDZBQOSA-N -1 3 368.416 3.395 20 0 FGADHM Cc1cc(C)cc(C[C@@H](C)NC(=O)Nc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822196877 599241000 /nfs/dbraw/zinc/24/10/00/599241000.db2.gz ZQZIYQTVWCQTFH-CQSZACIVSA-N -1 3 350.426 3.236 20 0 FGADHM Cc1cc(C)cc(C[C@@H](C)NC(=O)Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822196877 599241004 /nfs/dbraw/zinc/24/10/04/599241004.db2.gz ZQZIYQTVWCQTFH-CQSZACIVSA-N -1 3 350.426 3.236 20 0 FGADHM CCOc1ccccc1CCC(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821431629 607270189 /nfs/dbraw/zinc/27/01/89/607270189.db2.gz YCKTZXKIBYKZMB-UHFFFAOYSA-N -1 3 351.410 3.145 20 0 FGADHM CCOc1ccccc1CCC(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821431629 607270190 /nfs/dbraw/zinc/27/01/90/607270190.db2.gz YCKTZXKIBYKZMB-UHFFFAOYSA-N -1 3 351.410 3.145 20 0 FGADHM Cc1c(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)cnn1-c1ccccc1C ZINC000822345697 607270342 /nfs/dbraw/zinc/27/03/42/607270342.db2.gz PJMZLCLNAGTCSJ-UHFFFAOYSA-N -1 3 373.420 3.230 20 0 FGADHM Cc1c(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)cnn1-c1ccccc1C ZINC000822345697 607270343 /nfs/dbraw/zinc/27/03/43/607270343.db2.gz PJMZLCLNAGTCSJ-UHFFFAOYSA-N -1 3 373.420 3.230 20 0 FGADHM CN(C(=O)Nc1cccc(CC(=O)[O-])c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000380615961 597133623 /nfs/dbraw/zinc/13/36/23/597133623.db2.gz IFFBJEWCJBVQFC-IBGZPJMESA-N -1 3 367.449 3.052 20 0 FGADHM Cc1ccc(C)c(C(=O)CCC(=O)Nc2cccc(-c3nnn[n-]3)c2C)c1 ZINC000822231067 607269314 /nfs/dbraw/zinc/26/93/14/607269314.db2.gz YWFLOCGKFUNZJO-UHFFFAOYSA-N -1 3 363.421 3.394 20 0 FGADHM Cc1ccc(C)c(C(=O)CCC(=O)Nc2cccc(-c3nn[n-]n3)c2C)c1 ZINC000822231067 607269315 /nfs/dbraw/zinc/26/93/15/607269315.db2.gz YWFLOCGKFUNZJO-UHFFFAOYSA-N -1 3 363.421 3.394 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)c1cc2cc(F)ccc2o1 ZINC000736629147 599245821 /nfs/dbraw/zinc/24/58/21/599245821.db2.gz URCDQUDZFITLQM-UHFFFAOYSA-N -1 3 368.324 3.370 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)c1cc2cc(F)ccc2o1 ZINC000736629147 599245822 /nfs/dbraw/zinc/24/58/22/599245822.db2.gz URCDQUDZFITLQM-UHFFFAOYSA-N -1 3 368.324 3.370 20 0 FGADHM CCCc1ccccc1NC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000821142663 599252214 /nfs/dbraw/zinc/25/22/14/599252214.db2.gz KPZVUCVDYDPEJH-UHFFFAOYSA-N -1 3 366.425 3.020 20 0 FGADHM Cc1cccc(OCCN(C)C(=O)Nc2cccc(-c3nnn[n-]3)c2C)c1 ZINC000822328195 607281788 /nfs/dbraw/zinc/28/17/88/607281788.db2.gz MUKUXUCDVGWMFJ-UHFFFAOYSA-N -1 3 366.425 3.026 20 0 FGADHM Cc1cccc(OCCN(C)C(=O)Nc2cccc(-c3nn[n-]n3)c2C)c1 ZINC000822328195 607281789 /nfs/dbraw/zinc/28/17/89/607281789.db2.gz MUKUXUCDVGWMFJ-UHFFFAOYSA-N -1 3 366.425 3.026 20 0 FGADHM CCN(Cc1ccc(OC)cc1)C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821220971 607282903 /nfs/dbraw/zinc/28/29/03/607282903.db2.gz HDZAJWGFPNYPIG-UHFFFAOYSA-N -1 3 366.425 3.238 20 0 FGADHM CCN(Cc1ccc(OC)cc1)C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821220971 607282904 /nfs/dbraw/zinc/28/29/04/607282904.db2.gz HDZAJWGFPNYPIG-UHFFFAOYSA-N -1 3 366.425 3.238 20 0 FGADHM Cc1cccc(C)c1CCNC(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000822294211 607285959 /nfs/dbraw/zinc/28/59/59/607285959.db2.gz VSCGXTIZKIDIAQ-UHFFFAOYSA-N -1 3 350.426 3.156 20 0 FGADHM Cc1cccc(C)c1CCNC(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000822294211 607285960 /nfs/dbraw/zinc/28/59/60/607285960.db2.gz VSCGXTIZKIDIAQ-UHFFFAOYSA-N -1 3 350.426 3.156 20 0 FGADHM Cc1c(NC(=O)NC(C)(C)c2cccc(F)c2)cccc1-c1nnn[n-]1 ZINC000822089472 607286786 /nfs/dbraw/zinc/28/67/86/607286786.db2.gz CMKMDZPYRGWQPP-UHFFFAOYSA-N -1 3 354.389 3.371 20 0 FGADHM Cc1c(NC(=O)NC(C)(C)c2cccc(F)c2)cccc1-c1nn[n-]n1 ZINC000822089472 607286787 /nfs/dbraw/zinc/28/67/87/607286787.db2.gz CMKMDZPYRGWQPP-UHFFFAOYSA-N -1 3 354.389 3.371 20 0 FGADHM Cc1c(NC(=O)N[C@@H](C)Cc2ccccc2F)cccc1-c1nnn[n-]1 ZINC000822090721 607287320 /nfs/dbraw/zinc/28/73/20/607287320.db2.gz MGQGDCOPONWXTN-NSHDSACASA-N -1 3 354.389 3.067 20 0 FGADHM Cc1c(NC(=O)N[C@@H](C)Cc2ccccc2F)cccc1-c1nn[n-]n1 ZINC000822090721 607287321 /nfs/dbraw/zinc/28/73/21/607287321.db2.gz MGQGDCOPONWXTN-NSHDSACASA-N -1 3 354.389 3.067 20 0 FGADHM Cc1c(NC(=O)N2CC[C@H](Cc3ccccc3)C2)cccc1-c1nnn[n-]1 ZINC000822084750 607291422 /nfs/dbraw/zinc/29/14/22/607291422.db2.gz OOGFZRMUXHDFGN-MRXNPFEDSA-N -1 3 362.437 3.272 20 0 FGADHM Cc1c(NC(=O)N2CC[C@H](Cc3ccccc3)C2)cccc1-c1nn[n-]n1 ZINC000822084750 607291423 /nfs/dbraw/zinc/29/14/23/607291423.db2.gz OOGFZRMUXHDFGN-MRXNPFEDSA-N -1 3 362.437 3.272 20 0 FGADHM Cc1c(NC(=O)N(C)[C@@H]2CCc3ccccc3C2)cccc1-c1nnn[n-]1 ZINC000822075249 607292255 /nfs/dbraw/zinc/29/22/55/607292255.db2.gz AKBDOEIUVBATNE-MRXNPFEDSA-N -1 3 362.437 3.196 20 0 FGADHM Cc1c(NC(=O)N(C)[C@@H]2CCc3ccccc3C2)cccc1-c1nn[n-]n1 ZINC000822075249 607292256 /nfs/dbraw/zinc/29/22/56/607292256.db2.gz AKBDOEIUVBATNE-MRXNPFEDSA-N -1 3 362.437 3.196 20 0 FGADHM Cc1c(NC(=O)N[C@H](C)[C@@H](C)c2ccccc2)cccc1-c1nnn[n-]1 ZINC000822091835 607293403 /nfs/dbraw/zinc/29/34/03/607293403.db2.gz SUZPQQMSILNCFY-TZMCWYRMSA-N -1 3 350.426 3.489 20 0 FGADHM Cc1c(NC(=O)N[C@H](C)[C@@H](C)c2ccccc2)cccc1-c1nn[n-]n1 ZINC000822091835 607293404 /nfs/dbraw/zinc/29/34/04/607293404.db2.gz SUZPQQMSILNCFY-TZMCWYRMSA-N -1 3 350.426 3.489 20 0 FGADHM Cc1ccc(-c2ocnc2C(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1 ZINC000822224064 607295300 /nfs/dbraw/zinc/29/53/00/607295300.db2.gz UZLKIMSINDONLV-UHFFFAOYSA-N -1 3 360.377 3.391 20 0 FGADHM Cc1ccc(-c2ocnc2C(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1 ZINC000822224064 607295301 /nfs/dbraw/zinc/29/53/01/607295301.db2.gz UZLKIMSINDONLV-UHFFFAOYSA-N -1 3 360.377 3.391 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N(CC(F)(F)F)c1ccccc1 ZINC000737800211 599260873 /nfs/dbraw/zinc/26/08/73/599260873.db2.gz QFWSKVGOUHITMP-ZHACJKMWSA-N -1 3 373.338 3.475 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N(CC(F)(F)F)c1ccccc1 ZINC000737800211 599260875 /nfs/dbraw/zinc/26/08/75/599260875.db2.gz QFWSKVGOUHITMP-ZHACJKMWSA-N -1 3 373.338 3.475 20 0 FGADHM O[C@H]1CCCC[C@@H]1CCCNc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000823706908 607306615 /nfs/dbraw/zinc/30/66/15/607306615.db2.gz RQKPGKXICKFVKW-DYVFJYSZSA-N -1 3 352.442 3.158 20 0 FGADHM O[C@H]1CCCC[C@@H]1CCCNc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000823706908 607306616 /nfs/dbraw/zinc/30/66/16/607306616.db2.gz RQKPGKXICKFVKW-DYVFJYSZSA-N -1 3 352.442 3.158 20 0 FGADHM COc1ccc(CNc2ccc(NC(C)=O)c(Cl)c2)cc1-c1nnn[n-]1 ZINC000821821637 607308962 /nfs/dbraw/zinc/30/89/62/607308962.db2.gz OIHLOUVDAGKLAH-UHFFFAOYSA-N -1 3 372.816 3.099 20 0 FGADHM COc1ccc(CNc2ccc(NC(C)=O)c(Cl)c2)cc1-c1nn[n-]n1 ZINC000821821637 607308963 /nfs/dbraw/zinc/30/89/63/607308963.db2.gz OIHLOUVDAGKLAH-UHFFFAOYSA-N -1 3 372.816 3.099 20 0 FGADHM O=C(Nc1ccc(NCc2cc(-c3nnn[n-]3)cs2)cc1)c1ccco1 ZINC000823350457 607309466 /nfs/dbraw/zinc/30/94/66/607309466.db2.gz NTFPMCQAIFRQFZ-UHFFFAOYSA-N -1 3 366.406 3.386 20 0 FGADHM O=C(Nc1ccc(NCc2cc(-c3nn[n-]n3)cs2)cc1)c1ccco1 ZINC000823350457 607309467 /nfs/dbraw/zinc/30/94/67/607309467.db2.gz NTFPMCQAIFRQFZ-UHFFFAOYSA-N -1 3 366.406 3.386 20 0 FGADHM Clc1cc(NCc2cccc(-c3nnn[n-]3)c2)ccc1-n1ccnc1 ZINC000822567412 607315344 /nfs/dbraw/zinc/31/53/44/607315344.db2.gz AXLWXLLIFMVWKR-UHFFFAOYSA-N -1 3 351.801 3.318 20 0 FGADHM Clc1cc(NCc2cccc(-c3nn[n-]n3)c2)ccc1-n1ccnc1 ZINC000822567412 607315345 /nfs/dbraw/zinc/31/53/45/607315345.db2.gz AXLWXLLIFMVWKR-UHFFFAOYSA-N -1 3 351.801 3.318 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1N1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000737641886 599267527 /nfs/dbraw/zinc/26/75/27/599267527.db2.gz ZFZYFZNPEHFWSS-AWEZNQCLSA-N -1 3 353.357 3.076 20 0 FGADHM OC1(CNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CCCCCC1 ZINC000738390127 599267665 /nfs/dbraw/zinc/26/76/65/599267665.db2.gz PJSLRAYOUNHLLP-UHFFFAOYSA-N -1 3 355.364 3.383 20 0 FGADHM OC1(CNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CCCCCC1 ZINC000738390127 599267667 /nfs/dbraw/zinc/26/76/67/599267667.db2.gz PJSLRAYOUNHLLP-UHFFFAOYSA-N -1 3 355.364 3.383 20 0 FGADHM CCC[C@@]1(C)CCCN(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC)C1 ZINC000821028483 599272034 /nfs/dbraw/zinc/27/20/34/599272034.db2.gz XHNOWQAEGUXVCI-SFHVURJKSA-N -1 3 358.446 3.309 20 0 FGADHM CCC[C@@]1(C)CCCN(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC)C1 ZINC000821028483 599272035 /nfs/dbraw/zinc/27/20/35/599272035.db2.gz XHNOWQAEGUXVCI-SFHVURJKSA-N -1 3 358.446 3.309 20 0 FGADHM CCc1ccc([C@@H]2CCCN2C(=O)NCc2cccc(-c3nnn[n-]3)c2)o1 ZINC000736684265 599275836 /nfs/dbraw/zinc/27/58/36/599275836.db2.gz GNMGJMMQLQKEHX-INIZCTEOSA-N -1 3 366.425 3.069 20 0 FGADHM CCc1ccc([C@@H]2CCCN2C(=O)NCc2cccc(-c3nn[n-]n3)c2)o1 ZINC000736684265 599275837 /nfs/dbraw/zinc/27/58/37/599275837.db2.gz GNMGJMMQLQKEHX-INIZCTEOSA-N -1 3 366.425 3.069 20 0 FGADHM CC[C@@H](C)C[C@@H](C)NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000820869819 599276320 /nfs/dbraw/zinc/27/63/20/599276320.db2.gz JAYOKXDEODCBOQ-NXEZZACHSA-N -1 3 368.388 3.414 20 0 FGADHM CC[C@@H](C)C[C@@H](C)NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000820869819 599276323 /nfs/dbraw/zinc/27/63/23/599276323.db2.gz JAYOKXDEODCBOQ-NXEZZACHSA-N -1 3 368.388 3.414 20 0 FGADHM c1cc(CNc2cccc(-c3noc(C4CC4)n3)c2)cc(-c2nnn[n-]2)c1 ZINC000823756576 607319219 /nfs/dbraw/zinc/31/92/19/607319219.db2.gz CHMIUZUPRXPZNV-UHFFFAOYSA-N -1 3 359.393 3.406 20 0 FGADHM c1cc(CNc2cccc(-c3noc(C4CC4)n3)c2)cc(-c2nn[n-]n2)c1 ZINC000823756576 607319220 /nfs/dbraw/zinc/31/92/20/607319220.db2.gz CHMIUZUPRXPZNV-UHFFFAOYSA-N -1 3 359.393 3.406 20 0 FGADHM Cc1csc([C@H](NC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C2CC2)n1 ZINC000822408892 599279418 /nfs/dbraw/zinc/27/94/18/599279418.db2.gz IFSUTSXFVCHVAK-CYBMUJFWSA-N -1 3 373.417 3.044 20 0 FGADHM Cc1csc([C@H](NC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C2CC2)n1 ZINC000822408892 599279421 /nfs/dbraw/zinc/27/94/21/599279421.db2.gz IFSUTSXFVCHVAK-CYBMUJFWSA-N -1 3 373.417 3.044 20 0 FGADHM CC1(C)CCc2ccccc2[C@@H]1NC(=O)c1sccc1-c1nnn[n-]1 ZINC000824808796 607779577 /nfs/dbraw/zinc/77/95/77/607779577.db2.gz ZKCWIWTZAOHOBV-HNNXBMFYSA-N -1 3 353.451 3.372 20 0 FGADHM CC1(C)CCc2ccccc2[C@@H]1NC(=O)c1sccc1-c1nn[n-]n1 ZINC000824808796 607779578 /nfs/dbraw/zinc/77/95/78/607779578.db2.gz ZKCWIWTZAOHOBV-HNNXBMFYSA-N -1 3 353.451 3.372 20 0 FGADHM CC[C@@H](C)[C@@H](C)NC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820863961 599291123 /nfs/dbraw/zinc/29/11/23/599291123.db2.gz WNWJNQFEWASGRV-RKDXNWHRSA-N -1 3 356.352 3.442 20 0 FGADHM CC[C@@H](C)[C@@H](C)NC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820863961 599291125 /nfs/dbraw/zinc/29/11/25/599291125.db2.gz WNWJNQFEWASGRV-RKDXNWHRSA-N -1 3 356.352 3.442 20 0 FGADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)N1CCCC[C@@H]1c1ccco1 ZINC000738094047 599288088 /nfs/dbraw/zinc/28/80/88/599288088.db2.gz ADMINEQXEYMBLS-OAHLLOKOSA-N -1 3 370.388 3.036 20 0 FGADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)N1CCCC[C@@H]1c1ccco1 ZINC000738094047 599288090 /nfs/dbraw/zinc/28/80/90/599288090.db2.gz ADMINEQXEYMBLS-OAHLLOKOSA-N -1 3 370.388 3.036 20 0 FGADHM Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)c1ccc(C(=O)[O-])cc1 ZINC000821103852 598154748 /nfs/dbraw/zinc/15/47/48/598154748.db2.gz RZYDQVKDPKJWEM-PKOBYXMFSA-N -1 3 350.418 3.141 20 0 FGADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H]1CCCc2sccc21 ZINC000821608721 607347893 /nfs/dbraw/zinc/34/78/93/607347893.db2.gz RWJDXNSWIFARGC-HNNXBMFYSA-N -1 3 353.451 3.007 20 0 FGADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H]1CCCc2sccc21 ZINC000821608721 607347895 /nfs/dbraw/zinc/34/78/95/607347895.db2.gz RWJDXNSWIFARGC-HNNXBMFYSA-N -1 3 353.451 3.007 20 0 FGADHM COc1ccc(OC2CCN(c3ccc(-c4nn[n-]n4)cc3F)CC2)cc1 ZINC000737109935 598239474 /nfs/dbraw/zinc/23/94/74/598239474.db2.gz PVKZCNUGKMUUEW-UHFFFAOYSA-N -1 3 369.400 3.062 20 0 FGADHM O=C(c1ccc(-c2nnn[n-]2)cc1)N1CCCC[C@H]1Cc1ccc(F)cc1 ZINC000738255529 598240301 /nfs/dbraw/zinc/24/03/01/598240301.db2.gz UXAOXPSLKMOUSX-SFHVURJKSA-N -1 3 365.412 3.243 20 0 FGADHM O=C(c1ccc(-c2nn[n-]n2)cc1)N1CCCC[C@H]1Cc1ccc(F)cc1 ZINC000738255529 598240303 /nfs/dbraw/zinc/24/03/03/598240303.db2.gz UXAOXPSLKMOUSX-SFHVURJKSA-N -1 3 365.412 3.243 20 0 FGADHM Fc1cc(-c2nnn[n-]2)ccc1COc1cccc(Oc2ncccn2)c1 ZINC000737640754 598249839 /nfs/dbraw/zinc/24/98/39/598249839.db2.gz OYIUSUAMAQYXTI-UHFFFAOYSA-N -1 3 364.340 3.167 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1COc1cccc(Oc2ncccn2)c1 ZINC000737640754 598249840 /nfs/dbraw/zinc/24/98/40/598249840.db2.gz OYIUSUAMAQYXTI-UHFFFAOYSA-N -1 3 364.340 3.167 20 0 FGADHM O=C(CCCCCc1ccc(O)cc1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737826129 598260938 /nfs/dbraw/zinc/26/09/38/598260938.db2.gz QDXAHDWAEDNZMH-UHFFFAOYSA-N -1 3 369.400 3.453 20 0 FGADHM O=C(CCCCCc1ccc(O)cc1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737826129 598260940 /nfs/dbraw/zinc/26/09/40/598260940.db2.gz QDXAHDWAEDNZMH-UHFFFAOYSA-N -1 3 369.400 3.453 20 0 FGADHM C[C@H]1C[C@H]1CNC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736240456 598266493 /nfs/dbraw/zinc/26/64/93/598266493.db2.gz UYZJXKAAYYICMD-JSGCOSHPSA-N -1 3 364.409 3.437 20 0 FGADHM C[C@H]1C[C@H]1CNC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736240456 598266494 /nfs/dbraw/zinc/26/64/94/598266494.db2.gz UYZJXKAAYYICMD-JSGCOSHPSA-N -1 3 364.409 3.437 20 0 FGADHM Cc1cccc2c1CC[C@H]2NC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000737408739 598272845 /nfs/dbraw/zinc/27/28/45/598272845.db2.gz LVFHDBFUGAQKPO-GOSISDBHSA-N -1 3 362.437 3.004 20 0 FGADHM Cc1cccc2c1CC[C@H]2NC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000737408739 598272846 /nfs/dbraw/zinc/27/28/46/598272846.db2.gz LVFHDBFUGAQKPO-GOSISDBHSA-N -1 3 362.437 3.004 20 0 FGADHM CC(C)CCc1noc(CSCCOc2ccccc2-c2nnn[n-]2)n1 ZINC000735818611 598273282 /nfs/dbraw/zinc/27/32/82/598273282.db2.gz OMKREKBULJAZEW-UHFFFAOYSA-N -1 3 374.470 3.151 20 0 FGADHM CC(C)CCc1noc(CSCCOc2ccccc2-c2nn[n-]n2)n1 ZINC000735818611 598273283 /nfs/dbraw/zinc/27/32/83/598273283.db2.gz OMKREKBULJAZEW-UHFFFAOYSA-N -1 3 374.470 3.151 20 0 FGADHM C[C@@H](CNC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C)c1ccccc1 ZINC000736017462 598276220 /nfs/dbraw/zinc/27/62/20/598276220.db2.gz NTBSXYHMWNYLPL-ZDUSSCGKSA-N -1 3 367.457 3.348 20 0 FGADHM C[C@@H](CNC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C)c1ccccc1 ZINC000736017462 598276221 /nfs/dbraw/zinc/27/62/21/598276221.db2.gz NTBSXYHMWNYLPL-ZDUSSCGKSA-N -1 3 367.457 3.348 20 0 FGADHM C[C@H](Cc1ccsc1)NC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736065319 598279499 /nfs/dbraw/zinc/27/94/99/598279499.db2.gz CLCPPVVHJRCZKO-LLVKDONJSA-N -1 3 373.486 3.237 20 0 FGADHM C[C@H](Cc1ccsc1)NC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736065319 598279500 /nfs/dbraw/zinc/27/95/00/598279500.db2.gz CLCPPVVHJRCZKO-LLVKDONJSA-N -1 3 373.486 3.237 20 0 FGADHM CCOc1cc2c(cc1NCc1ccc(-c3nnn[n-]3)cc1)O[C@H](C)C2 ZINC000736635302 598283294 /nfs/dbraw/zinc/28/32/94/598283294.db2.gz LYFYFDMGEFHNNR-GFCCVEGCSA-N -1 3 351.410 3.201 20 0 FGADHM CCOc1cc2c(cc1NCc1ccc(-c3nn[n-]n3)cc1)O[C@H](C)C2 ZINC000736635302 598283296 /nfs/dbraw/zinc/28/32/96/598283296.db2.gz LYFYFDMGEFHNNR-GFCCVEGCSA-N -1 3 351.410 3.201 20 0 FGADHM O[C@H](CNc1ccc(C(F)(F)F)c(-c2nnn[n-]2)c1)c1ccccc1F ZINC000823690810 607347319 /nfs/dbraw/zinc/34/73/19/607347319.db2.gz VFOKTCPYBWWJGS-CQSZACIVSA-N -1 3 367.306 3.170 20 0 FGADHM O[C@H](CNc1ccc(C(F)(F)F)c(-c2nn[n-]n2)c1)c1ccccc1F ZINC000823690810 607347320 /nfs/dbraw/zinc/34/73/20/607347320.db2.gz VFOKTCPYBWWJGS-CQSZACIVSA-N -1 3 367.306 3.170 20 0 FGADHM C[C@@H](NC(=O)NCc1ccc(F)c(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736118239 598285080 /nfs/dbraw/zinc/28/50/80/598285080.db2.gz LTYHDOVNFVMYAD-SNVBAGLBSA-N -1 3 374.807 3.220 20 0 FGADHM C[C@@H](NC(=O)NCc1ccc(F)c(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736118239 598285081 /nfs/dbraw/zinc/28/50/81/598285081.db2.gz LTYHDOVNFVMYAD-SNVBAGLBSA-N -1 3 374.807 3.220 20 0 FGADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)C1CCCCCC1 ZINC000737027024 598296287 /nfs/dbraw/zinc/29/62/87/598296287.db2.gz XNNOHCYTRQWVHS-UHFFFAOYSA-N -1 3 350.806 3.405 20 0 FGADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)C1CCCCCC1 ZINC000737027024 598296289 /nfs/dbraw/zinc/29/62/89/598296289.db2.gz XNNOHCYTRQWVHS-UHFFFAOYSA-N -1 3 350.806 3.405 20 0 FGADHM CSc1cccc(N(C)C(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737193127 598297118 /nfs/dbraw/zinc/29/71/18/598297118.db2.gz XJWUWWRFTBGPEA-GFCCVEGCSA-N -1 3 369.450 3.019 20 0 FGADHM Cc1ccc(-c2ccncc2)cc1NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737289553 598297986 /nfs/dbraw/zinc/29/79/86/598297986.db2.gz VIEJQGALIQLACW-UHFFFAOYSA-N -1 3 356.389 3.489 20 0 FGADHM Cc1ccc(-c2ccncc2)cc1NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737289553 598297989 /nfs/dbraw/zinc/29/79/89/598297989.db2.gz VIEJQGALIQLACW-UHFFFAOYSA-N -1 3 356.389 3.489 20 0 FGADHM Cc1nc(-c2ccco2)ccc1C(=O)OCc1ccccc1-c1nnn[n-]1 ZINC000737463932 598302200 /nfs/dbraw/zinc/30/22/00/598302200.db2.gz AQLHPFROWOKEHI-UHFFFAOYSA-N -1 3 361.361 3.187 20 0 FGADHM Cc1nc(-c2ccco2)ccc1C(=O)OCc1ccccc1-c1nn[n-]n1 ZINC000737463932 598302201 /nfs/dbraw/zinc/30/22/01/598302201.db2.gz AQLHPFROWOKEHI-UHFFFAOYSA-N -1 3 361.361 3.187 20 0 FGADHM Cc1cc(C)c(C=CC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1C ZINC000737247230 598302284 /nfs/dbraw/zinc/30/22/84/598302284.db2.gz SWMCXFNVKKXDBG-VOTSOKGWSA-N -1 3 365.412 3.261 20 0 FGADHM Cc1cc(C)c(C=CC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1C ZINC000737247230 598302286 /nfs/dbraw/zinc/30/22/86/598302286.db2.gz SWMCXFNVKKXDBG-VOTSOKGWSA-N -1 3 365.412 3.261 20 0 FGADHM Cc1c2cccc(F)c2oc1C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737215098 598304958 /nfs/dbraw/zinc/30/49/58/598304958.db2.gz WPJGTDGNCTUVJR-UHFFFAOYSA-N -1 3 369.331 3.130 20 0 FGADHM Cc1c2cccc(F)c2oc1C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737215098 598304959 /nfs/dbraw/zinc/30/49/59/598304959.db2.gz WPJGTDGNCTUVJR-UHFFFAOYSA-N -1 3 369.331 3.130 20 0 FGADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OCCc1ccsc1 ZINC000735735982 598306509 /nfs/dbraw/zinc/30/65/09/598306509.db2.gz RBCOUJQIHKQCHT-MRXNPFEDSA-N -1 3 372.450 3.118 20 0 FGADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)OCCc1ccsc1 ZINC000735735982 598306510 /nfs/dbraw/zinc/30/65/10/598306510.db2.gz RBCOUJQIHKQCHT-MRXNPFEDSA-N -1 3 372.450 3.118 20 0 FGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)c1cc(Cl)ccc1Cl ZINC000738100679 598306933 /nfs/dbraw/zinc/30/69/33/598306933.db2.gz PEPMJCBNVOVGTA-UHFFFAOYSA-N -1 3 366.183 3.243 20 0 FGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)c1cc(Cl)ccc1Cl ZINC000738100679 598306935 /nfs/dbraw/zinc/30/69/35/598306935.db2.gz PEPMJCBNVOVGTA-UHFFFAOYSA-N -1 3 366.183 3.243 20 0 FGADHM C[C@@H]1CCCC[C@@H]1NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736273063 598317277 /nfs/dbraw/zinc/31/72/77/598317277.db2.gz QXGUZIMOPNKUJI-RNCFNFMXSA-N -1 3 350.879 3.385 20 0 FGADHM C[C@@H]1CCCC[C@@H]1NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736273063 598317279 /nfs/dbraw/zinc/31/72/79/598317279.db2.gz QXGUZIMOPNKUJI-RNCFNFMXSA-N -1 3 350.879 3.385 20 0 FGADHM Cc1cc(Cl)ccc1NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737264811 598322030 /nfs/dbraw/zinc/32/20/30/598322030.db2.gz QEFVGIVLSGUKFQ-UHFFFAOYSA-N -1 3 360.780 3.289 20 0 FGADHM Cc1cc(Cl)ccc1NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737264811 598322032 /nfs/dbraw/zinc/32/20/32/598322032.db2.gz QEFVGIVLSGUKFQ-UHFFFAOYSA-N -1 3 360.780 3.289 20 0 FGADHM CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000735595506 598325031 /nfs/dbraw/zinc/32/50/31/598325031.db2.gz GDHSWIOZHGRLLQ-ZBFHGGJFSA-N -1 3 374.464 3.410 20 0 FGADHM CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000735595506 598325034 /nfs/dbraw/zinc/32/50/34/598325034.db2.gz GDHSWIOZHGRLLQ-ZBFHGGJFSA-N -1 3 374.464 3.410 20 0 FGADHM Cc1cccc(OC(F)F)c1NC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000737400428 598328538 /nfs/dbraw/zinc/32/85/38/598328538.db2.gz CLUWXNHXWLQYJW-UHFFFAOYSA-N -1 3 373.363 3.348 20 0 FGADHM Cc1cccc(OC(F)F)c1NC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000737400428 598328539 /nfs/dbraw/zinc/32/85/39/598328539.db2.gz CLUWXNHXWLQYJW-UHFFFAOYSA-N -1 3 373.363 3.348 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H]1CCCc2sccc21 ZINC000821401297 607350879 /nfs/dbraw/zinc/35/08/79/607350879.db2.gz VDQVJEBVUFHWBE-ZDUSSCGKSA-N -1 3 369.450 3.386 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H]1CCCc2sccc21 ZINC000821401297 607350881 /nfs/dbraw/zinc/35/08/81/607350881.db2.gz VDQVJEBVUFHWBE-ZDUSSCGKSA-N -1 3 369.450 3.386 20 0 FGADHM CCCCCOC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000736452647 598360831 /nfs/dbraw/zinc/36/08/31/598360831.db2.gz ZOMPLMOJEWKSAA-UHFFFAOYSA-N -1 3 356.382 3.386 20 0 FGADHM CCCCCOC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000736452647 598360832 /nfs/dbraw/zinc/36/08/32/598360832.db2.gz ZOMPLMOJEWKSAA-UHFFFAOYSA-N -1 3 356.382 3.386 20 0 FGADHM c1ccc(C[C@H]2CCCN(c3nc4c(cc3-c3nnn[n-]3)CCC4)C2)cc1 ZINC000738429334 598363846 /nfs/dbraw/zinc/36/38/46/598363846.db2.gz XNDCRCJHSGGXLP-MRXNPFEDSA-N -1 3 360.465 3.210 20 0 FGADHM c1ccc(C[C@H]2CCCN(c3nc4c(cc3-c3nn[n-]n3)CCC4)C2)cc1 ZINC000738429334 598363849 /nfs/dbraw/zinc/36/38/49/598363849.db2.gz XNDCRCJHSGGXLP-MRXNPFEDSA-N -1 3 360.465 3.210 20 0 FGADHM O[C@@H](COc1ccc(-c2nn[n-]n2)cc1)CSc1ccc(Cl)cc1 ZINC000738388296 598363912 /nfs/dbraw/zinc/36/39/12/598363912.db2.gz RZETWMQGDSMIFX-ZDUSSCGKSA-N -1 3 362.842 3.052 20 0 FGADHM O[C@H](COc1ccc(-c2nn[n-]n2)cc1)CSc1ccccc1Cl ZINC000738388529 598364231 /nfs/dbraw/zinc/36/42/31/598364231.db2.gz TZQUGJRESRZJGA-GFCCVEGCSA-N -1 3 362.842 3.052 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C[C@@H](C)c1ccccc1F ZINC000737057712 598365511 /nfs/dbraw/zinc/36/55/11/598365511.db2.gz ILIIZSSUJGOFGX-LLVKDONJSA-N -1 3 355.373 3.147 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C[C@@H](C)c1ccccc1F ZINC000737057712 598365508 /nfs/dbraw/zinc/36/55/08/598365508.db2.gz ILIIZSSUJGOFGX-LLVKDONJSA-N -1 3 355.373 3.147 20 0 FGADHM Cc1ccc(C)c(SC[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737327292 598369452 /nfs/dbraw/zinc/36/94/52/598369452.db2.gz YJZYNPRUDVGYTI-HNNXBMFYSA-N -1 3 356.451 3.016 20 0 FGADHM Cc1[nH]c2ccccc2c1C=C1N=C(c2ccc(-c3nnn[n-]3)cc2)OC1=O ZINC000737197681 598380209 /nfs/dbraw/zinc/38/02/09/598380209.db2.gz BXCRTAHKJIAMPH-YVLHZVERSA-N -1 3 370.372 3.001 20 0 FGADHM Cc1[nH]c2ccccc2c1C=C1N=C(c2ccc(-c3nn[n-]n3)cc2)OC1=O ZINC000737197681 598380211 /nfs/dbraw/zinc/38/02/11/598380211.db2.gz BXCRTAHKJIAMPH-YVLHZVERSA-N -1 3 370.372 3.001 20 0 FGADHM O=C1OC(c2ccc(-c3nnn[n-]3)cc2)=NC1=Cc1cccc2ccccc12 ZINC000738317570 598380512 /nfs/dbraw/zinc/38/05/12/598380512.db2.gz DUDGYVBLQTXAHM-PDGQHHTCSA-N -1 3 367.368 3.364 20 0 FGADHM O=C1OC(c2ccc(-c3nn[n-]n3)cc2)=NC1=Cc1cccc2ccccc12 ZINC000738317570 598380514 /nfs/dbraw/zinc/38/05/14/598380514.db2.gz DUDGYVBLQTXAHM-PDGQHHTCSA-N -1 3 367.368 3.364 20 0 FGADHM CCCOc1cc(C)ccc1NC(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC000736490204 598382787 /nfs/dbraw/zinc/38/27/87/598382787.db2.gz HYVJSXAKSYZEPM-UHFFFAOYSA-N -1 3 366.425 3.015 20 0 FGADHM COc1c(C)cc(CN(C)c2ncc(-c3nnn[n-]3)cc2Cl)cc1C ZINC000737025303 598393654 /nfs/dbraw/zinc/39/36/54/598393654.db2.gz YJPHEGJIQNXMIB-UHFFFAOYSA-N -1 3 358.833 3.177 20 0 FGADHM COc1c(C)cc(CN(C)c2ncc(-c3nn[n-]n3)cc2Cl)cc1C ZINC000737025303 598393656 /nfs/dbraw/zinc/39/36/56/598393656.db2.gz YJPHEGJIQNXMIB-UHFFFAOYSA-N -1 3 358.833 3.177 20 0 FGADHM Cc1ccccc1C1(C(=O)OCc2cc(-c3nnn[n-]3)ccc2F)CC1 ZINC000737422624 598411896 /nfs/dbraw/zinc/41/18/96/598411896.db2.gz QNZOCLUGWDGZSE-UHFFFAOYSA-N -1 3 352.369 3.089 20 0 FGADHM Cc1ccccc1C1(C(=O)OCc2cc(-c3nn[n-]n3)ccc2F)CC1 ZINC000737422624 598411897 /nfs/dbraw/zinc/41/18/97/598411897.db2.gz QNZOCLUGWDGZSE-UHFFFAOYSA-N -1 3 352.369 3.089 20 0 FGADHM Fc1ccccc1[C@@H]1CCN(C(=S)Nc2ccccc2-c2nnn[n-]2)C1 ZINC000737664707 598418559 /nfs/dbraw/zinc/41/85/59/598418559.db2.gz NKZXRFXUBKRKFO-GFCCVEGCSA-N -1 3 368.441 3.192 20 0 FGADHM Fc1ccccc1[C@@H]1CCN(C(=S)Nc2ccccc2-c2nn[n-]n2)C1 ZINC000737664707 598418562 /nfs/dbraw/zinc/41/85/62/598418562.db2.gz NKZXRFXUBKRKFO-GFCCVEGCSA-N -1 3 368.441 3.192 20 0 FGADHM Cc1cc(C)cc([C@H](C)NC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000737253060 598430196 /nfs/dbraw/zinc/43/01/96/598430196.db2.gz OZEYKKGHWRUTMM-ZDUSSCGKSA-N -1 3 368.416 3.183 20 0 FGADHM Cc1cc(C)cc([C@H](C)NC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000737253060 598430198 /nfs/dbraw/zinc/43/01/98/598430198.db2.gz OZEYKKGHWRUTMM-ZDUSSCGKSA-N -1 3 368.416 3.183 20 0 FGADHM C[C@@H](NC(=O)NC1(c2ccccc2)CCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736110341 598431270 /nfs/dbraw/zinc/43/12/70/598431270.db2.gz AQJILTVGNSVLPW-CQSZACIVSA-N -1 3 362.437 3.306 20 0 FGADHM C[C@@H](NC(=O)NC1(c2ccccc2)CCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736110341 598431272 /nfs/dbraw/zinc/43/12/72/598431272.db2.gz AQJILTVGNSVLPW-CQSZACIVSA-N -1 3 362.437 3.306 20 0 FGADHM Cc1cc(C)c(C)c(OCCC(=O)OCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737246888 598433588 /nfs/dbraw/zinc/43/35/88/598433588.db2.gz PMAPFCRKUQDPMS-UHFFFAOYSA-N -1 3 366.421 3.304 20 0 FGADHM Cc1cc(C)c(C)c(OCCC(=O)OCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737246888 598433590 /nfs/dbraw/zinc/43/35/90/598433590.db2.gz PMAPFCRKUQDPMS-UHFFFAOYSA-N -1 3 366.421 3.304 20 0 FGADHM CC[C@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1nc2ccccc2[nH]1 ZINC000736355420 598446281 /nfs/dbraw/zinc/44/62/81/598446281.db2.gz HYURTGZAVBDXKF-RUMSDORHSA-N -1 3 373.420 3.024 20 0 FGADHM CC[C@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1nc2ccccc2[nH]1 ZINC000736355420 598446282 /nfs/dbraw/zinc/44/62/82/598446282.db2.gz HYURTGZAVBDXKF-RUMSDORHSA-N -1 3 373.420 3.024 20 0 FGADHM CN(C(=O)c1ccc(-c2nnn[n-]2)cn1)c1ccccc1Oc1ccccc1 ZINC000736749690 598449531 /nfs/dbraw/zinc/44/95/31/598449531.db2.gz QIBFCQVZFVUGBI-UHFFFAOYSA-N -1 3 372.388 3.331 20 0 FGADHM CN(C(=O)c1ccc(-c2nn[n-]n2)cn1)c1ccccc1Oc1ccccc1 ZINC000736749690 598449533 /nfs/dbraw/zinc/44/95/33/598449533.db2.gz QIBFCQVZFVUGBI-UHFFFAOYSA-N -1 3 372.388 3.331 20 0 FGADHM O=C(c1ccc(-c2nnn[n-]2)cn1)N(CCc1ccccc1)c1ccccc1 ZINC000738261779 598450892 /nfs/dbraw/zinc/45/08/92/598450892.db2.gz SZAVIKQWTAVQLH-UHFFFAOYSA-N -1 3 370.416 3.151 20 0 FGADHM O=C(c1ccc(-c2nn[n-]n2)cn1)N(CCc1ccccc1)c1ccccc1 ZINC000738261779 598450894 /nfs/dbraw/zinc/45/08/94/598450894.db2.gz SZAVIKQWTAVQLH-UHFFFAOYSA-N -1 3 370.416 3.151 20 0 FGADHM CC[C@@](C)(NC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000736314861 598454827 /nfs/dbraw/zinc/45/48/27/598454827.db2.gz ONRNNQXVJXXVOK-VBKZILBWSA-N -1 3 365.437 3.076 20 0 FGADHM CC[C@@](C)(NC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000736314861 598454830 /nfs/dbraw/zinc/45/48/30/598454830.db2.gz ONRNNQXVJXXVOK-VBKZILBWSA-N -1 3 365.437 3.076 20 0 FGADHM Cc1ccc(CNC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)cc1 ZINC000737342040 598468276 /nfs/dbraw/zinc/46/82/76/598468276.db2.gz JHUCPLZPWZRFPR-UHFFFAOYSA-N -1 3 362.437 3.049 20 0 FGADHM Cc1ccc(CNC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)cc1 ZINC000737342040 598468277 /nfs/dbraw/zinc/46/82/77/598468277.db2.gz JHUCPLZPWZRFPR-UHFFFAOYSA-N -1 3 362.437 3.049 20 0 FGADHM O=C(Nc1cc(F)cc(F)c1)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000738146318 598476043 /nfs/dbraw/zinc/47/60/43/598476043.db2.gz WNPIBDSGUZQEEH-UHFFFAOYSA-N -1 3 370.363 3.341 20 0 FGADHM O=C(Nc1cc(F)cc(F)c1)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000738146318 598476045 /nfs/dbraw/zinc/47/60/45/598476045.db2.gz WNPIBDSGUZQEEH-UHFFFAOYSA-N -1 3 370.363 3.341 20 0 FGADHM C[C@@H]1CCC[C@H](NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)C1 ZINC000736257114 598477674 /nfs/dbraw/zinc/47/76/74/598477674.db2.gz BTCSOHQFICZOOA-CJNGLKHVSA-N -1 3 354.458 3.119 20 0 FGADHM C[C@@H]1CCC[C@H](NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)C1 ZINC000736257114 598477676 /nfs/dbraw/zinc/47/76/76/598477676.db2.gz BTCSOHQFICZOOA-CJNGLKHVSA-N -1 3 354.458 3.119 20 0 FGADHM Cc1ccc([C@H](C)NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)o1 ZINC000737320737 598478137 /nfs/dbraw/zinc/47/81/37/598478137.db2.gz OQDRGBGAHAYGCI-ZDUSSCGKSA-N -1 3 366.425 3.203 20 0 FGADHM Cc1ccc([C@H](C)NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)o1 ZINC000737320737 598478138 /nfs/dbraw/zinc/47/81/38/598478138.db2.gz OQDRGBGAHAYGCI-ZDUSSCGKSA-N -1 3 366.425 3.203 20 0 FGADHM O=C(N[C@@H]1C[C@@H]1c1ccccc1)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000738019714 598480408 /nfs/dbraw/zinc/48/04/08/598480408.db2.gz LNZPUMBBIRXWGE-RTBURBONSA-N -1 3 374.448 3.097 20 0 FGADHM O=C(N[C@@H]1C[C@@H]1c1ccccc1)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000738019714 598480409 /nfs/dbraw/zinc/48/04/09/598480409.db2.gz LNZPUMBBIRXWGE-RTBURBONSA-N -1 3 374.448 3.097 20 0 FGADHM CC[C@@](C)(NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000736312226 598483331 /nfs/dbraw/zinc/48/33/31/598483331.db2.gz AQOWBDNFTDDJCQ-GOSISDBHSA-N -1 3 354.389 3.453 20 0 FGADHM CC[C@@](C)(NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000736312226 598483332 /nfs/dbraw/zinc/48/33/32/598483332.db2.gz AQOWBDNFTDDJCQ-GOSISDBHSA-N -1 3 354.389 3.453 20 0 FGADHM COc1ccc(SCC(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737114654 598486695 /nfs/dbraw/zinc/48/66/95/598486695.db2.gz IOHIRZRIJNURAO-GFCCVEGCSA-N -1 3 370.434 3.272 20 0 FGADHM COc1ccc(SCC(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737114654 598486697 /nfs/dbraw/zinc/48/66/97/598486697.db2.gz IOHIRZRIJNURAO-GFCCVEGCSA-N -1 3 370.434 3.272 20 0 FGADHM C[C@H](OC(=O)[C@@H]1Cc2cc(Cl)ccc2O1)c1cccc(-c2nnn[n-]2)c1 ZINC000736153134 598488717 /nfs/dbraw/zinc/48/87/17/598488717.db2.gz QBBQYHCLTOTXQY-QFYYESIMSA-N -1 3 370.796 3.128 20 0 FGADHM C[C@H](OC(=O)[C@@H]1Cc2cc(Cl)ccc2O1)c1cccc(-c2nn[n-]n2)c1 ZINC000736153134 598488719 /nfs/dbraw/zinc/48/87/19/598488719.db2.gz QBBQYHCLTOTXQY-QFYYESIMSA-N -1 3 370.796 3.128 20 0 FGADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)c1csc(-c2ccoc2)n1 ZINC000738163388 598493718 /nfs/dbraw/zinc/49/37/18/598493718.db2.gz NXGGGYVGQVGDBQ-UHFFFAOYSA-N -1 3 372.797 3.489 20 0 FGADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)c1csc(-c2ccoc2)n1 ZINC000738163388 598493719 /nfs/dbraw/zinc/49/37/19/598493719.db2.gz NXGGGYVGQVGDBQ-UHFFFAOYSA-N -1 3 372.797 3.489 20 0 FGADHM COc1ccc(COCCSCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737098692 598511913 /nfs/dbraw/zinc/51/19/13/598511913.db2.gz XVAYEEVNNHBXJN-UHFFFAOYSA-N -1 3 356.451 3.325 20 0 FGADHM COc1ccc(COCCSCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737098692 598511914 /nfs/dbraw/zinc/51/19/14/598511914.db2.gz XVAYEEVNNHBXJN-UHFFFAOYSA-N -1 3 356.451 3.325 20 0 FGADHM CCc1c(C)sc(NC(=O)[C@H](C)c2c(C)noc2C)c1-c1nnn[n-]1 ZINC000736672108 598515817 /nfs/dbraw/zinc/51/58/17/598515817.db2.gz YPBZJPRGOQOHHU-SSDOTTSWSA-N -1 3 360.443 3.146 20 0 FGADHM CCc1c(C)sc(NC(=O)[C@H](C)c2c(C)noc2C)c1-c1nn[n-]n1 ZINC000736672108 598515819 /nfs/dbraw/zinc/51/58/19/598515819.db2.gz YPBZJPRGOQOHHU-SSDOTTSWSA-N -1 3 360.443 3.146 20 0 FGADHM CCc1c(C)sc(NC(=O)c2ccc(OC)cc2OC)c1-c1nnn[n-]1 ZINC000736675809 598517439 /nfs/dbraw/zinc/51/74/39/598517439.db2.gz OJBJRGKGJXNTCC-UHFFFAOYSA-N -1 3 373.438 3.069 20 0 FGADHM CCc1c(C)sc(NC(=O)c2ccc(OC)cc2OC)c1-c1nn[n-]n1 ZINC000736675809 598517441 /nfs/dbraw/zinc/51/74/41/598517441.db2.gz OJBJRGKGJXNTCC-UHFFFAOYSA-N -1 3 373.438 3.069 20 0 FGADHM C[C@H]1C[C@@H]1NC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736237447 598534608 /nfs/dbraw/zinc/53/46/08/598534608.db2.gz OZLBARLIBMTWKZ-ZBEGNZNMSA-N -1 3 350.382 3.189 20 0 FGADHM C[C@H]1C[C@@H]1NC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736237447 598534610 /nfs/dbraw/zinc/53/46/10/598534610.db2.gz OZLBARLIBMTWKZ-ZBEGNZNMSA-N -1 3 350.382 3.189 20 0 FGADHM CC[C@@H]1CCCN1C(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000736402553 598549581 /nfs/dbraw/zinc/54/95/81/598549581.db2.gz NTJXJWYLDYDUIZ-CQSZACIVSA-N -1 3 367.409 3.053 20 0 FGADHM Fc1cc(OCc2ccc(Br)s2)ccc1-c1nnn[n-]1 ZINC000737650373 598550143 /nfs/dbraw/zinc/55/01/43/598550143.db2.gz HTHNFGIJWPZSBM-UHFFFAOYSA-N -1 3 355.192 3.409 20 0 FGADHM Fc1cc(OCc2ccc(Br)s2)ccc1-c1nn[n-]n1 ZINC000737650373 598550145 /nfs/dbraw/zinc/55/01/45/598550145.db2.gz HTHNFGIJWPZSBM-UHFFFAOYSA-N -1 3 355.192 3.409 20 0 FGADHM Cc1ccc(F)c2c1N(C(=O)C=Cc1ccccc1-c1nnn[n-]1)CCC2 ZINC000737344561 598554212 /nfs/dbraw/zinc/55/42/12/598554212.db2.gz HEXZWSQICRAVBW-PKNBQFBNSA-N -1 3 363.396 3.307 20 0 FGADHM Cc1ccc(F)c2c1N(C(=O)C=Cc1ccccc1-c1nn[n-]n1)CCC2 ZINC000737344561 598554214 /nfs/dbraw/zinc/55/42/14/598554214.db2.gz HEXZWSQICRAVBW-PKNBQFBNSA-N -1 3 363.396 3.307 20 0 FGADHM COc1ccnc(Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)n1 ZINC000737158277 598556485 /nfs/dbraw/zinc/55/64/85/598556485.db2.gz DEMJGSSGVMJRGV-UHFFFAOYSA-N -1 3 361.365 3.201 20 0 FGADHM COc1ccnc(Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)n1 ZINC000737158277 598556486 /nfs/dbraw/zinc/55/64/86/598556486.db2.gz DEMJGSSGVMJRGV-UHFFFAOYSA-N -1 3 361.365 3.201 20 0 FGADHM CC[C@@H](NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)C(C)C ZINC000736360993 598560534 /nfs/dbraw/zinc/56/05/34/598560534.db2.gz FFKFTQJNSYJHMH-SNVBAGLBSA-N -1 3 354.361 3.024 20 0 FGADHM CC[C@@H](NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)C(C)C ZINC000736360993 598560535 /nfs/dbraw/zinc/56/05/35/598560535.db2.gz FFKFTQJNSYJHMH-SNVBAGLBSA-N -1 3 354.361 3.024 20 0 FGADHM O=C(Nc1cn[nH]c1)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000738172360 598562603 /nfs/dbraw/zinc/56/26/03/598562603.db2.gz KOZGWUPVVYMXKP-UHFFFAOYSA-N -1 3 362.353 3.026 20 0 FGADHM O=C(Nc1cn[nH]c1)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000738172360 598562605 /nfs/dbraw/zinc/56/26/05/598562605.db2.gz KOZGWUPVVYMXKP-UHFFFAOYSA-N -1 3 362.353 3.026 20 0 FGADHM CCCC[C@H](CC)CNC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000736438146 598569294 /nfs/dbraw/zinc/56/92/94/598569294.db2.gz MEWKDMVGCPRIKM-MAUKXSAKSA-N -1 3 370.501 3.168 20 0 FGADHM O=C(Nc1cccc(Cl)c1)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738183360 598571118 /nfs/dbraw/zinc/57/11/18/598571118.db2.gz MLMNVKWCQFUOID-MRXNPFEDSA-N -1 3 368.828 3.128 20 0 FGADHM O=C(Cc1c[nH]c2cc(Cl)ccc12)Nc1ccccc1-c1nnn[n-]1 ZINC000737953859 598572672 /nfs/dbraw/zinc/57/26/72/598572672.db2.gz FKTQQVICZKEOJP-UHFFFAOYSA-N -1 3 352.785 3.183 20 0 FGADHM O=C(Cc1c[nH]c2cc(Cl)ccc12)Nc1ccccc1-c1nn[n-]n1 ZINC000737953859 598572673 /nfs/dbraw/zinc/57/26/73/598572673.db2.gz FKTQQVICZKEOJP-UHFFFAOYSA-N -1 3 352.785 3.183 20 0 FGADHM CN(C(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)C1CCCCCC1 ZINC000736732163 598576014 /nfs/dbraw/zinc/57/60/14/598576014.db2.gz MZGCSZBYJQLWFP-SFHVURJKSA-N -1 3 368.485 3.017 20 0 FGADHM O=C(COC(=O)c1occc1-c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000826416865 607361621 /nfs/dbraw/zinc/36/16/21/607361621.db2.gz UGCCXRQADKWQBZ-UHFFFAOYSA-N -1 3 374.356 3.166 20 0 FGADHM O=C(COC(=O)c1occc1-c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000826416865 607361623 /nfs/dbraw/zinc/36/16/23/607361623.db2.gz UGCCXRQADKWQBZ-UHFFFAOYSA-N -1 3 374.356 3.166 20 0 FGADHM O[C@H](CNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1cccc(F)c1 ZINC000738382567 598578564 /nfs/dbraw/zinc/57/85/64/598578564.db2.gz LQDQJDQSXWZQDD-CQSZACIVSA-N -1 3 367.306 3.170 20 0 FGADHM O[C@H](CNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1cccc(F)c1 ZINC000738382567 598578565 /nfs/dbraw/zinc/57/85/65/598578565.db2.gz LQDQJDQSXWZQDD-CQSZACIVSA-N -1 3 367.306 3.170 20 0 FGADHM CCN1C(=O)c2cc(Cl)ccc2N[C@H]1c1ccc(-c2nnn[n-]2)cc1 ZINC000736565848 598581695 /nfs/dbraw/zinc/58/16/95/598581695.db2.gz RYEBDWUQWHOUOH-MRXNPFEDSA-N -1 3 354.801 3.107 20 0 FGADHM CCN1C(=O)c2cc(Cl)ccc2N[C@H]1c1ccc(-c2nn[n-]n2)cc1 ZINC000736565848 598581696 /nfs/dbraw/zinc/58/16/96/598581696.db2.gz RYEBDWUQWHOUOH-MRXNPFEDSA-N -1 3 354.801 3.107 20 0 FGADHM Cc1sc(NC(=O)[C@H]2CCOc3ccccc32)c(-c2nnn[n-]2)c1C ZINC000737563703 598582701 /nfs/dbraw/zinc/58/27/01/598582701.db2.gz SEULLNLLMSIJHU-LBPRGKRZSA-N -1 3 355.423 3.050 20 0 FGADHM Cc1sc(NC(=O)[C@H]2CCOc3ccccc32)c(-c2nn[n-]n2)c1C ZINC000737563703 598582703 /nfs/dbraw/zinc/58/27/03/598582703.db2.gz SEULLNLLMSIJHU-LBPRGKRZSA-N -1 3 355.423 3.050 20 0 FGADHM O=C(CCc1ccc(Cl)s1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737852078 598584991 /nfs/dbraw/zinc/58/49/91/598584991.db2.gz BLOHCUZCSJKSOZ-UHFFFAOYSA-N -1 3 351.794 3.292 20 0 FGADHM O=C(CCc1ccc(Cl)s1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737852078 598584993 /nfs/dbraw/zinc/58/49/93/598584993.db2.gz BLOHCUZCSJKSOZ-UHFFFAOYSA-N -1 3 351.794 3.292 20 0 FGADHM Cc1nnc(NCC2(Sc3ccccc3)CC2)c(-c2nnn[n-]2)c1C ZINC000737522446 598593534 /nfs/dbraw/zinc/59/35/34/598593534.db2.gz SXBBGHMZAOEPFY-UHFFFAOYSA-N -1 3 353.455 3.010 20 0 FGADHM Cc1nnc(NCC2(Sc3ccccc3)CC2)c(-c2nn[n-]n2)c1C ZINC000737522446 598593535 /nfs/dbraw/zinc/59/35/35/598593535.db2.gz SXBBGHMZAOEPFY-UHFFFAOYSA-N -1 3 353.455 3.010 20 0 FGADHM O=C(N[C@H]1CCCC[C@@H]1Cc1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000738026684 598609691 /nfs/dbraw/zinc/60/96/91/598609691.db2.gz UJBRYVXFOYDFEZ-APWZRJJASA-N -1 3 361.449 3.398 20 0 FGADHM O=C(N[C@H]1CCCC[C@@H]1Cc1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000738026684 598609693 /nfs/dbraw/zinc/60/96/93/598609693.db2.gz UJBRYVXFOYDFEZ-APWZRJJASA-N -1 3 361.449 3.398 20 0 FGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@H]1C1CCC1 ZINC000735906145 598622569 /nfs/dbraw/zinc/62/25/69/598622569.db2.gz PDZDXDTUDVSTDM-INIZCTEOSA-N -1 3 370.457 3.450 20 0 FGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@H]1C1CCC1 ZINC000735906145 598622570 /nfs/dbraw/zinc/62/25/70/598622570.db2.gz PDZDXDTUDVSTDM-INIZCTEOSA-N -1 3 370.457 3.450 20 0 FGADHM CC[C@@H](CNC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000736351565 598627526 /nfs/dbraw/zinc/62/75/26/598627526.db2.gz SRGJYRYWPPACOA-LBPRGKRZSA-N -1 3 354.389 3.321 20 0 FGADHM CC[C@@H](CNC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000736351565 598627528 /nfs/dbraw/zinc/62/75/28/598627528.db2.gz SRGJYRYWPPACOA-LBPRGKRZSA-N -1 3 354.389 3.321 20 0 FGADHM CC(C)NC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000735888243 598633853 /nfs/dbraw/zinc/63/38/53/598633853.db2.gz JKVXPLCQUILJES-UHFFFAOYSA-N -1 3 370.388 3.115 20 0 FGADHM CC(C)NC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000735888243 598633854 /nfs/dbraw/zinc/63/38/54/598633854.db2.gz JKVXPLCQUILJES-UHFFFAOYSA-N -1 3 370.388 3.115 20 0 FGADHM Cc1ccccc1OC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000737435926 598644970 /nfs/dbraw/zinc/64/49/70/598644970.db2.gz OCUOBQYQURCQTJ-UHFFFAOYSA-N -1 3 352.394 3.330 20 0 FGADHM Cc1ccccc1OC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000737435926 598644971 /nfs/dbraw/zinc/64/49/71/598644971.db2.gz OCUOBQYQURCQTJ-UHFFFAOYSA-N -1 3 352.394 3.330 20 0 FGADHM CCCN(Cc1ccccc1)C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736481815 598648325 /nfs/dbraw/zinc/64/83/25/598648325.db2.gz YWAXXJZSIBCNHF-UHFFFAOYSA-N -1 3 367.478 3.398 20 0 FGADHM CCCN(Cc1ccccc1)C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736481815 598648326 /nfs/dbraw/zinc/64/83/26/598648326.db2.gz YWAXXJZSIBCNHF-UHFFFAOYSA-N -1 3 367.478 3.398 20 0 FGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N[C@@H](c1cccs1)C1CC1 ZINC000737943677 598650805 /nfs/dbraw/zinc/65/08/05/598650805.db2.gz UROAAUSTMVENLU-MRXNPFEDSA-N -1 3 371.491 3.288 20 0 FGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N[C@@H](c1cccs1)C1CC1 ZINC000737943677 598650807 /nfs/dbraw/zinc/65/08/07/598650807.db2.gz UROAAUSTMVENLU-MRXNPFEDSA-N -1 3 371.491 3.288 20 0 FGADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)c1cc(F)c(F)c(F)c1 ZINC000738162960 598651583 /nfs/dbraw/zinc/65/15/83/598651583.db2.gz JLWDIIMXABMXNT-UHFFFAOYSA-N -1 3 353.691 3.190 20 0 FGADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)c1cc(F)c(F)c(F)c1 ZINC000738162960 598651585 /nfs/dbraw/zinc/65/15/85/598651585.db2.gz JLWDIIMXABMXNT-UHFFFAOYSA-N -1 3 353.691 3.190 20 0 FGADHM C[C@@H]1CCCC[C@@H]1CNC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736271933 598654613 /nfs/dbraw/zinc/65/46/13/598654613.db2.gz PISXZQMBHRYMGP-NVXWUHKLSA-N -1 3 371.485 3.358 20 0 FGADHM C[C@@H]1CCCC[C@@H]1CNC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736271933 598654615 /nfs/dbraw/zinc/65/46/15/598654615.db2.gz PISXZQMBHRYMGP-NVXWUHKLSA-N -1 3 371.485 3.358 20 0 FGADHM COc1cccc(CCNc2ccc(-c3nnn[n-]3)c(Cl)c2)c1OC ZINC000737132033 598654826 /nfs/dbraw/zinc/65/48/26/598654826.db2.gz UJDWUDIOEDJSKJ-UHFFFAOYSA-N -1 3 359.817 3.192 20 0 FGADHM COc1cccc(CCNc2ccc(-c3nn[n-]n3)c(Cl)c2)c1OC ZINC000737132033 598654828 /nfs/dbraw/zinc/65/48/28/598654828.db2.gz UJDWUDIOEDJSKJ-UHFFFAOYSA-N -1 3 359.817 3.192 20 0 FGADHM Cc1cc2cc(NC(=O)CSc3ccc(-c4nnn[n-]4)cc3)ccc2[nH]1 ZINC000737283489 598665071 /nfs/dbraw/zinc/66/50/71/598665071.db2.gz DLZOHQURGPEMHQ-UHFFFAOYSA-N -1 3 364.434 3.387 20 0 FGADHM Cc1cc2cc(NC(=O)CSc3ccc(-c4nn[n-]n4)cc3)ccc2[nH]1 ZINC000737283489 598665072 /nfs/dbraw/zinc/66/50/72/598665072.db2.gz DLZOHQURGPEMHQ-UHFFFAOYSA-N -1 3 364.434 3.387 20 0 FGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N1CCC[C@@H]1c1ccccc1 ZINC000737943062 598665618 /nfs/dbraw/zinc/66/56/18/598665618.db2.gz OWNOHGRVMLBOCC-QGZVFWFLSA-N -1 3 365.462 3.323 20 0 FGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N1CCC[C@@H]1c1ccccc1 ZINC000737943062 598665619 /nfs/dbraw/zinc/66/56/19/598665619.db2.gz OWNOHGRVMLBOCC-QGZVFWFLSA-N -1 3 365.462 3.323 20 0 FGADHM CC[C@H](C)CN(C)C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000736322912 598667048 /nfs/dbraw/zinc/66/70/48/598667048.db2.gz RAAVFLITJUOMMQ-ZDUSSCGKSA-N -1 3 366.425 3.172 20 0 FGADHM CC[C@H](C)CN(C)C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000736322912 598667050 /nfs/dbraw/zinc/66/70/50/598667050.db2.gz RAAVFLITJUOMMQ-ZDUSSCGKSA-N -1 3 366.425 3.172 20 0 FGADHM C[C@H]1Cc2ccccc2[C@@H]1NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736297496 598671823 /nfs/dbraw/zinc/67/18/23/598671823.db2.gz NDHNRTGTUCAWJS-KPZWWZAWSA-N -1 3 365.462 3.009 20 0 FGADHM C[C@H]1Cc2ccccc2[C@@H]1NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736297496 598671825 /nfs/dbraw/zinc/67/18/25/598671825.db2.gz NDHNRTGTUCAWJS-KPZWWZAWSA-N -1 3 365.462 3.009 20 0 FGADHM CCOC(=O)Nc1cccc(OCc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000736601722 598674403 /nfs/dbraw/zinc/67/44/03/598674403.db2.gz DNYOGJLRMTZEIR-UHFFFAOYSA-N -1 3 357.345 3.153 20 0 FGADHM CCOC(=O)Nc1cccc(OCc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000736601722 598674405 /nfs/dbraw/zinc/67/44/05/598674405.db2.gz DNYOGJLRMTZEIR-UHFFFAOYSA-N -1 3 357.345 3.153 20 0 FGADHM Cc1ccccc1SCC(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737431747 598702201 /nfs/dbraw/zinc/70/22/01/598702201.db2.gz MBWREJHNONGUGB-UHFFFAOYSA-N -1 3 358.398 3.150 20 0 FGADHM Cc1ccccc1SCC(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737431747 598702202 /nfs/dbraw/zinc/70/22/02/598702202.db2.gz MBWREJHNONGUGB-UHFFFAOYSA-N -1 3 358.398 3.150 20 0 FGADHM CCc1ccc(CCC(=O)OCc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000736683954 598702944 /nfs/dbraw/zinc/70/29/44/598702944.db2.gz SZZMRTBHQLVMMF-UHFFFAOYSA-N -1 3 354.385 3.244 20 0 FGADHM CCc1ccc(CCC(=O)OCc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000736683954 598702945 /nfs/dbraw/zinc/70/29/45/598702945.db2.gz SZZMRTBHQLVMMF-UHFFFAOYSA-N -1 3 354.385 3.244 20 0 FGADHM CC(C)Oc1cccc(CC(=O)OCc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000735912855 598709146 /nfs/dbraw/zinc/70/91/46/598709146.db2.gz IRDVFWKGTSFUJK-UHFFFAOYSA-N -1 3 370.384 3.079 20 0 FGADHM CC(C)Oc1cccc(CC(=O)OCc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000735912855 598709148 /nfs/dbraw/zinc/70/91/48/598709148.db2.gz IRDVFWKGTSFUJK-UHFFFAOYSA-N -1 3 370.384 3.079 20 0 FGADHM C[C@@H](Cc1ccc(F)cc1)C(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000736055741 598709311 /nfs/dbraw/zinc/70/93/11/598709311.db2.gz IPZMIJUCRAOVBO-NSHDSACASA-N -1 3 358.348 3.067 20 0 FGADHM C[C@@H](Cc1ccc(F)cc1)C(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000736055741 598709313 /nfs/dbraw/zinc/70/93/13/598709313.db2.gz IPZMIJUCRAOVBO-NSHDSACASA-N -1 3 358.348 3.067 20 0 FGADHM Cc1oc(NC(=O)CN2CCCC3(CCCCC3)C2)c(-c2nnn[n-]2)c1C ZINC000737552776 598709978 /nfs/dbraw/zinc/70/99/78/598709978.db2.gz QNJYYXSGTOUBNL-UHFFFAOYSA-N -1 3 372.473 3.061 20 0 FGADHM CC(C)(CC(=O)OCc1ccc(F)cc1-c1nnn[n-]1)c1ccccc1 ZINC000735665544 598710273 /nfs/dbraw/zinc/71/02/73/598710273.db2.gz YWFURYKMOQYJPD-UHFFFAOYSA-N -1 3 354.385 3.417 20 0 FGADHM CC(C)(CC(=O)OCc1ccc(F)cc1-c1nn[n-]n1)c1ccccc1 ZINC000735665544 598710275 /nfs/dbraw/zinc/71/02/75/598710275.db2.gz YWFURYKMOQYJPD-UHFFFAOYSA-N -1 3 354.385 3.417 20 0 FGADHM C[C@@H](OC(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1ccccc1F ZINC000736156052 598713174 /nfs/dbraw/zinc/71/31/74/598713174.db2.gz SOLSLCNZHLTRAL-LLVKDONJSA-N -1 3 358.398 3.402 20 0 FGADHM C[C@@H](OC(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1ccccc1F ZINC000736156052 598713175 /nfs/dbraw/zinc/71/31/75/598713175.db2.gz SOLSLCNZHLTRAL-LLVKDONJSA-N -1 3 358.398 3.402 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)NC(C)(C)c1ccc(F)cc1 ZINC000737064618 598716784 /nfs/dbraw/zinc/71/67/84/598716784.db2.gz XMXROLYNYAMIPD-UHFFFAOYSA-N -1 3 370.388 3.071 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)NC(C)(C)c1ccc(F)cc1 ZINC000737064618 598716786 /nfs/dbraw/zinc/71/67/86/598716786.db2.gz XMXROLYNYAMIPD-UHFFFAOYSA-N -1 3 370.388 3.071 20 0 FGADHM O=C(Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1)c1cncc(O)c1 ZINC000738174752 598719576 /nfs/dbraw/zinc/71/95/76/598719576.db2.gz MGVSCGLZCFMLKL-UHFFFAOYSA-N -1 3 374.360 3.012 20 0 FGADHM O=C(Nc1ccc(Oc2ccccc2-c2nn[nH]n2)cc1)c1cncc([O-])c1 ZINC000738174752 598719577 /nfs/dbraw/zinc/71/95/77/598719577.db2.gz MGVSCGLZCFMLKL-UHFFFAOYSA-N -1 3 374.360 3.012 20 0 FGADHM O=C1OCCN1c1cccc(CNc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000738318646 598745608 /nfs/dbraw/zinc/74/56/08/598745608.db2.gz LMSGMWCEUHOBKQ-UHFFFAOYSA-N -1 3 370.800 3.089 20 0 FGADHM O=C1OCCN1c1cccc(CNc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000738318646 598745609 /nfs/dbraw/zinc/74/56/09/598745609.db2.gz LMSGMWCEUHOBKQ-UHFFFAOYSA-N -1 3 370.800 3.089 20 0 FGADHM CC(C)[C@H]1CCC[C@H](NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000735746544 598747904 /nfs/dbraw/zinc/74/79/04/598747904.db2.gz CRRDJJFXNMLKPC-GJZGRUSLSA-N -1 3 359.499 3.290 20 0 FGADHM CC(C)[C@H]1CCC[C@H](NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000735746544 598747907 /nfs/dbraw/zinc/74/79/07/598747907.db2.gz CRRDJJFXNMLKPC-GJZGRUSLSA-N -1 3 359.499 3.290 20 0 FGADHM C[C@H](Cc1ccccc1)C(=O)OCCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000736059870 598750428 /nfs/dbraw/zinc/75/04/28/598750428.db2.gz XJIIGPZAEBSVMI-OAHLLOKOSA-N -1 3 366.421 3.058 20 0 FGADHM Cc1ccccc1[C@@H](NC(=O)COc1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000737423572 598754956 /nfs/dbraw/zinc/75/49/56/598754956.db2.gz SWVDFTXFXBLWKP-IBGZPJMESA-N -1 3 365.437 3.067 20 0 FGADHM Cc1ccccc1[C@@H](NC(=O)COc1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000737423572 598754958 /nfs/dbraw/zinc/75/49/58/598754958.db2.gz SWVDFTXFXBLWKP-IBGZPJMESA-N -1 3 365.437 3.067 20 0 FGADHM Fc1ccc(CN2CCO[C@@H](c3ccccc3Cl)C2)c(-c2nnn[n-]2)c1 ZINC000737651224 598765388 /nfs/dbraw/zinc/76/53/88/598765388.db2.gz UXYAFKJHEQSDSK-QGZVFWFLSA-N -1 3 373.819 3.233 20 0 FGADHM Fc1ccc(CN2CCO[C@@H](c3ccccc3Cl)C2)c(-c2nn[n-]n2)c1 ZINC000737651224 598765389 /nfs/dbraw/zinc/76/53/89/598765389.db2.gz UXYAFKJHEQSDSK-QGZVFWFLSA-N -1 3 373.819 3.233 20 0 FGADHM CN(Cc1ccsc1)c1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21 ZINC000736830281 598770760 /nfs/dbraw/zinc/77/07/60/598770760.db2.gz SEXQWHVRIDBXAF-UHFFFAOYSA-N -1 3 358.377 3.391 20 0 FGADHM CN(Cc1ccsc1)c1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21 ZINC000736830281 598770761 /nfs/dbraw/zinc/77/07/61/598770761.db2.gz SEXQWHVRIDBXAF-UHFFFAOYSA-N -1 3 358.377 3.391 20 0 FGADHM O[C@@H](CNc1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21)C1CCCCC1 ZINC000738382596 598772576 /nfs/dbraw/zinc/77/25/76/598772576.db2.gz LVOZIWYMMGUIRW-HNNXBMFYSA-N -1 3 374.395 3.046 20 0 FGADHM O[C@@H](CNc1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21)C1CCCCC1 ZINC000738382596 598772578 /nfs/dbraw/zinc/77/25/78/598772578.db2.gz LVOZIWYMMGUIRW-HNNXBMFYSA-N -1 3 374.395 3.046 20 0 FGADHM Cc1ccccc1[C@@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000737419162 598778608 /nfs/dbraw/zinc/77/86/08/598778608.db2.gz DCMOPZHKSFFMRC-SFHVURJKSA-N -1 3 362.437 3.126 20 0 FGADHM Cc1ccccc1[C@@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000737419162 598778610 /nfs/dbraw/zinc/77/86/10/598778610.db2.gz DCMOPZHKSFFMRC-SFHVURJKSA-N -1 3 362.437 3.126 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H]1CCC[C@H](C(C)C)C1 ZINC000737062784 598782618 /nfs/dbraw/zinc/78/26/18/598782618.db2.gz NIBLCHXIGNDWNI-GXTWGEPZSA-N -1 3 358.446 3.212 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@H]1CCC[C@H](C(C)C)C1 ZINC000737062784 598782620 /nfs/dbraw/zinc/78/26/20/598782620.db2.gz NIBLCHXIGNDWNI-GXTWGEPZSA-N -1 3 358.446 3.212 20 0 FGADHM CC(C)[C@H]1CCC[C@@H](NC(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000735747160 598782864 /nfs/dbraw/zinc/78/28/64/598782864.db2.gz PEUOJMPTISECHE-DOTOQJQBSA-N -1 3 356.474 3.223 20 0 FGADHM CC(C)[C@H]1CCC[C@@H](NC(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000735747160 598782866 /nfs/dbraw/zinc/78/28/66/598782866.db2.gz PEUOJMPTISECHE-DOTOQJQBSA-N -1 3 356.474 3.223 20 0 FGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)CO[C@H]1CCC[C@@H](C)C1 ZINC000736263780 598789822 /nfs/dbraw/zinc/78/98/22/598789822.db2.gz SDZPATSSMQRJAA-QAPCUYQASA-N -1 3 371.485 3.199 20 0 FGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)CO[C@H]1CCC[C@@H](C)C1 ZINC000736263780 598789823 /nfs/dbraw/zinc/78/98/23/598789823.db2.gz SDZPATSSMQRJAA-QAPCUYQASA-N -1 3 371.485 3.199 20 0 FGADHM CC(C)[C@H](c1ccccc1)N(C)C(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000735734617 598791032 /nfs/dbraw/zinc/79/10/32/598791032.db2.gz HYQQWHCVQBXXJU-LJQANCHMSA-N -1 3 365.437 3.101 20 0 FGADHM CC(C)[C@H](c1ccccc1)N(C)C(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000735734617 598791033 /nfs/dbraw/zinc/79/10/33/598791033.db2.gz HYQQWHCVQBXXJU-LJQANCHMSA-N -1 3 365.437 3.101 20 0 FGADHM CSc1ccc(N(C)C(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000737188921 598791656 /nfs/dbraw/zinc/79/16/56/598791656.db2.gz AAQJBLCLRBNLJM-LBPRGKRZSA-N -1 3 369.450 3.019 20 0 FGADHM CSc1ccc(N(C)C(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000737188921 598791657 /nfs/dbraw/zinc/79/16/57/598791657.db2.gz AAQJBLCLRBNLJM-LBPRGKRZSA-N -1 3 369.450 3.019 20 0 FGADHM C[C@H]1CN(c2ccc(Cl)cc2-c2nnn[n-]2)C[C@@H](c2ccccc2)O1 ZINC000736286320 598794083 /nfs/dbraw/zinc/79/40/83/598794083.db2.gz BPXOOQLMHJKHGH-SJCJKPOMSA-N -1 3 355.829 3.487 20 0 FGADHM C[C@H]1CN(c2ccc(Cl)cc2-c2nn[n-]n2)C[C@@H](c2ccccc2)O1 ZINC000736286320 598794084 /nfs/dbraw/zinc/79/40/84/598794084.db2.gz BPXOOQLMHJKHGH-SJCJKPOMSA-N -1 3 355.829 3.487 20 0 FGADHM CCN(C(=O)CO[C@@H]1CCCC[C@@H]1C)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736505382 598802577 /nfs/dbraw/zinc/80/25/77/598802577.db2.gz MOTQZDFBGJVNNB-HDMKZQKVSA-N -1 3 371.485 3.372 20 0 FGADHM CCN(C(=O)CO[C@@H]1CCCC[C@@H]1C)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736505382 598802578 /nfs/dbraw/zinc/80/25/78/598802578.db2.gz MOTQZDFBGJVNNB-HDMKZQKVSA-N -1 3 371.485 3.372 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cn1)[C@@H](Oc1ccccc1)c1ccccc1 ZINC000738150258 598803932 /nfs/dbraw/zinc/80/39/32/598803932.db2.gz CPWLMKJKBNYYEL-SFHVURJKSA-N -1 3 372.388 3.021 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cn1)[C@@H](Oc1ccccc1)c1ccccc1 ZINC000738150258 598803933 /nfs/dbraw/zinc/80/39/33/598803933.db2.gz CPWLMKJKBNYYEL-SFHVURJKSA-N -1 3 372.388 3.021 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)Nc1ccc(OCC2CC2)cc1 ZINC000737803878 598806834 /nfs/dbraw/zinc/80/68/34/598806834.db2.gz WGIJKSVIMBWBJV-KPKJPENVSA-N -1 3 361.405 3.307 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)Nc1ccc(OCC2CC2)cc1 ZINC000737803878 598806836 /nfs/dbraw/zinc/80/68/36/598806836.db2.gz WGIJKSVIMBWBJV-KPKJPENVSA-N -1 3 361.405 3.307 20 0 FGADHM CCN(C(=O)C=Cc1cncc(F)c1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736502905 598818865 /nfs/dbraw/zinc/81/88/65/598818865.db2.gz QMQRKRMWRWSBRS-PRUHKGEBSA-N -1 3 366.400 3.024 20 0 FGADHM CCN(C(=O)C=Cc1cncc(F)c1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736502905 598818867 /nfs/dbraw/zinc/81/88/67/598818867.db2.gz QMQRKRMWRWSBRS-PRUHKGEBSA-N -1 3 366.400 3.024 20 0 FGADHM CCOc1cc(C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)ccc1C ZINC000736625971 598821345 /nfs/dbraw/zinc/82/13/45/598821345.db2.gz IQGZAQZCZAOQPY-UHFFFAOYSA-N -1 3 357.801 3.480 20 0 FGADHM CCOc1cc(C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)ccc1C ZINC000736625971 598821346 /nfs/dbraw/zinc/82/13/46/598821346.db2.gz IQGZAQZCZAOQPY-UHFFFAOYSA-N -1 3 357.801 3.480 20 0 FGADHM CC[C@@H](CC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)C(C)C ZINC000736330328 598821411 /nfs/dbraw/zinc/82/14/11/598821411.db2.gz CJMAJLWLAOWYKP-JTQLQIEISA-N -1 3 353.373 3.479 20 0 FGADHM CC[C@@H](CC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)C(C)C ZINC000736330328 598821410 /nfs/dbraw/zinc/82/14/10/598821410.db2.gz CJMAJLWLAOWYKP-JTQLQIEISA-N -1 3 353.373 3.479 20 0 FGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)c1coc2ccccc12 ZINC000735662117 598822539 /nfs/dbraw/zinc/82/25/39/598822539.db2.gz QIYRUIJLVDFSKG-UHFFFAOYSA-N -1 3 350.382 3.422 20 0 FGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)c1coc2ccccc12 ZINC000735662117 598822540 /nfs/dbraw/zinc/82/25/40/598822540.db2.gz QIYRUIJLVDFSKG-UHFFFAOYSA-N -1 3 350.382 3.422 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1CSCCOc1ccccc1OC ZINC000821749396 607367681 /nfs/dbraw/zinc/36/76/81/607367681.db2.gz JUEOGOREGVOOEH-UHFFFAOYSA-N -1 3 372.450 3.196 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1CSCCOc1ccccc1OC ZINC000821749396 607367683 /nfs/dbraw/zinc/36/76/83/607367683.db2.gz JUEOGOREGVOOEH-UHFFFAOYSA-N -1 3 372.450 3.196 20 0 FGADHM CC(C)CO[C@@H](C)c1noc(CSc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000820096710 599308139 /nfs/dbraw/zinc/30/81/39/599308139.db2.gz GGGZQDMBNUPRPH-NSHDSACASA-N -1 3 360.443 3.276 20 0 FGADHM CC(C)CO[C@@H](C)c1noc(CSc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000820096710 599308142 /nfs/dbraw/zinc/30/81/42/599308142.db2.gz GGGZQDMBNUPRPH-NSHDSACASA-N -1 3 360.443 3.276 20 0 FGADHM CCN(C(=O)Cc1ccc(OC(F)F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736505019 599313482 /nfs/dbraw/zinc/31/34/82/599313482.db2.gz KGYQDTLSYJCPMG-UHFFFAOYSA-N -1 3 373.363 3.064 20 0 FGADHM CCN(C(=O)Cc1ccc(OC(F)F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736505019 599313485 /nfs/dbraw/zinc/31/34/85/599313485.db2.gz KGYQDTLSYJCPMG-UHFFFAOYSA-N -1 3 373.363 3.064 20 0 FGADHM C[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCO[C@@H](c2cccc(F)c2)C1 ZINC000736197866 599313878 /nfs/dbraw/zinc/31/38/78/599313878.db2.gz CMBYQNGYJNSZRT-SCLBCKFNSA-N -1 3 353.401 3.140 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1CNc1cccc(NC(=O)C(C)C)c1 ZINC000821737614 607369713 /nfs/dbraw/zinc/36/97/13/607369713.db2.gz YYQOGNKUDJPNQY-UHFFFAOYSA-N -1 3 366.425 3.082 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1CNc1cccc(NC(=O)C(C)C)c1 ZINC000821737614 607369715 /nfs/dbraw/zinc/36/97/15/607369715.db2.gz YYQOGNKUDJPNQY-UHFFFAOYSA-N -1 3 366.425 3.082 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NCC(C)(C)c1cccc(F)c1 ZINC000737293294 599339128 /nfs/dbraw/zinc/33/91/28/599339128.db2.gz AKZZMOKFPJKOQJ-UHFFFAOYSA-N -1 3 368.416 3.414 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NCC(C)(C)c1cccc(F)c1 ZINC000737293294 599339130 /nfs/dbraw/zinc/33/91/30/599339130.db2.gz AKZZMOKFPJKOQJ-UHFFFAOYSA-N -1 3 368.416 3.414 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NC[C@@H]1CCCO[C@H]1C(C)(C)C ZINC000737294020 599339226 /nfs/dbraw/zinc/33/92/26/599339226.db2.gz JPLQSPANWCMDNE-GOEBONIOSA-N -1 3 372.473 3.138 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NC[C@@H]1CCCO[C@H]1C(C)(C)C ZINC000737294020 599339228 /nfs/dbraw/zinc/33/92/28/599339228.db2.gz JPLQSPANWCMDNE-GOEBONIOSA-N -1 3 372.473 3.138 20 0 FGADHM CC(C)[C@@H](NC(=O)CSc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000820027382 599346089 /nfs/dbraw/zinc/34/60/89/599346089.db2.gz RIVSBDMTOIUJKV-GOSISDBHSA-N -1 3 367.478 3.472 20 0 FGADHM CC(C)[C@@H](NC(=O)CSc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000820027382 599346091 /nfs/dbraw/zinc/34/60/91/599346091.db2.gz RIVSBDMTOIUJKV-GOSISDBHSA-N -1 3 367.478 3.472 20 0 FGADHM C[C@@H](OC(=O)Cc1ccccc1OC(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000736154776 599361194 /nfs/dbraw/zinc/36/11/94/599361194.db2.gz CAOZXGWQRSIQPB-LLVKDONJSA-N -1 3 374.347 3.315 20 0 FGADHM C[C@@H](OC(=O)Cc1ccccc1OC(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000736154776 599361196 /nfs/dbraw/zinc/36/11/96/599361196.db2.gz CAOZXGWQRSIQPB-LLVKDONJSA-N -1 3 374.347 3.315 20 0 FGADHM COCCOc1cc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)ccc1OC ZINC000821693224 599368149 /nfs/dbraw/zinc/36/81/49/599368149.db2.gz YASADCUQFJJSPR-ZDUSSCGKSA-N -1 3 369.425 3.074 20 0 FGADHM COCCOc1cc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)ccc1OC ZINC000821693224 599368152 /nfs/dbraw/zinc/36/81/52/599368152.db2.gz YASADCUQFJJSPR-ZDUSSCGKSA-N -1 3 369.425 3.074 20 0 FGADHM COCCOc1ccc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1F ZINC000821693712 599371933 /nfs/dbraw/zinc/37/19/33/599371933.db2.gz KLPGJWGIYZLICZ-GFCCVEGCSA-N -1 3 357.389 3.204 20 0 FGADHM COCCOc1ccc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000821693712 599371935 /nfs/dbraw/zinc/37/19/35/599371935.db2.gz KLPGJWGIYZLICZ-GFCCVEGCSA-N -1 3 357.389 3.204 20 0 FGADHM C[C@H](Nc1ccc(O[C@H]2CCOC2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820454968 599377959 /nfs/dbraw/zinc/37/79/59/599377959.db2.gz AAOADZPNZZEBHQ-UGSOOPFHSA-N -1 3 351.410 3.208 20 0 FGADHM C[C@H](Nc1ccc(O[C@H]2CCOC2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820454968 599377962 /nfs/dbraw/zinc/37/79/62/599377962.db2.gz AAOADZPNZZEBHQ-UGSOOPFHSA-N -1 3 351.410 3.208 20 0 FGADHM CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736963300 599378894 /nfs/dbraw/zinc/37/88/94/599378894.db2.gz RTMCIQUWYCYRAJ-BZNIZROVSA-N -1 3 371.828 3.026 20 0 FGADHM CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736963300 599378896 /nfs/dbraw/zinc/37/88/96/599378896.db2.gz RTMCIQUWYCYRAJ-BZNIZROVSA-N -1 3 371.828 3.026 20 0 FGADHM CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736962851 599379190 /nfs/dbraw/zinc/37/91/90/599379190.db2.gz QRUIWLKCORGKEV-BZNIZROVSA-N -1 3 371.828 3.026 20 0 FGADHM CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736962851 599379191 /nfs/dbraw/zinc/37/91/91/599379191.db2.gz QRUIWLKCORGKEV-BZNIZROVSA-N -1 3 371.828 3.026 20 0 FGADHM O=C(c1ccc(-c2nnn[n-]2)cc1)N1CCC(c2ccccc2F)CC1 ZINC000738255954 599379484 /nfs/dbraw/zinc/37/94/84/599379484.db2.gz VWGGEGOLNZDOCZ-UHFFFAOYSA-N -1 3 351.385 3.026 20 0 FGADHM O=C(c1ccc(-c2nn[n-]n2)cc1)N1CCC(c2ccccc2F)CC1 ZINC000738255954 599379487 /nfs/dbraw/zinc/37/94/87/599379487.db2.gz VWGGEGOLNZDOCZ-UHFFFAOYSA-N -1 3 351.385 3.026 20 0 FGADHM CSC[C@H](C)NC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000737175109 599380772 /nfs/dbraw/zinc/38/07/72/599380772.db2.gz AVGVREZUIPYONX-LBPRGKRZSA-N -1 3 353.451 3.015 20 0 FGADHM CSC[C@H](C)NC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000737175109 599380775 /nfs/dbraw/zinc/38/07/75/599380775.db2.gz AVGVREZUIPYONX-LBPRGKRZSA-N -1 3 353.451 3.015 20 0 FGADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OCCOc1cccc(F)c1 ZINC000821699546 599382606 /nfs/dbraw/zinc/38/26/06/599382606.db2.gz UHHBUGAQFMWMKB-UHFFFAOYSA-N -1 3 364.764 3.126 20 0 FGADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OCCOc1cccc(F)c1 ZINC000821699546 599382608 /nfs/dbraw/zinc/38/26/08/599382608.db2.gz UHHBUGAQFMWMKB-UHFFFAOYSA-N -1 3 364.764 3.126 20 0 FGADHM Cc1cccc(OCCN(C)c2cc(-c3nnn[n-]3)c3ccccc3n2)c1 ZINC000737411816 599400164 /nfs/dbraw/zinc/40/01/64/599400164.db2.gz PLWUTIWDFTYSDQ-UHFFFAOYSA-N -1 3 360.421 3.239 20 0 FGADHM Cc1cccc(OCCN(C)c2cc(-c3nn[n-]n3)c3ccccc3n2)c1 ZINC000737411816 599400165 /nfs/dbraw/zinc/40/01/65/599400165.db2.gz PLWUTIWDFTYSDQ-UHFFFAOYSA-N -1 3 360.421 3.239 20 0 FGADHM c1ccc2c(c1)nc(NCc1ccnc(N3CCCC3)c1)cc2-c1nnn[n-]1 ZINC000738432075 599402508 /nfs/dbraw/zinc/40/25/08/599402508.db2.gz DKQKUFIYTVRUDB-UHFFFAOYSA-N -1 3 372.436 3.022 20 0 FGADHM c1ccc2c(c1)nc(NCc1ccnc(N3CCCC3)c1)cc2-c1nn[n-]n1 ZINC000738432075 599402510 /nfs/dbraw/zinc/40/25/10/599402510.db2.gz DKQKUFIYTVRUDB-UHFFFAOYSA-N -1 3 372.436 3.022 20 0 FGADHM CCCCOc1ccc([C@H](C)NCc2ccc(-c3nnn[n-]3)o2)cc1OC ZINC000821077501 599406298 /nfs/dbraw/zinc/40/62/98/599406298.db2.gz IONICYICJLNESW-ZDUSSCGKSA-N -1 3 371.441 3.498 20 0 FGADHM COc1ccc(CNc2cc(-c3nnn[n-]3)c3ccccc3n2)c(OC)c1 ZINC000737095978 599414626 /nfs/dbraw/zinc/41/46/26/599414626.db2.gz RYNRMHFILFJPJU-UHFFFAOYSA-N -1 3 362.393 3.044 20 0 FGADHM COc1ccc(CNc2cc(-c3nn[n-]n3)c3ccccc3n2)c(OC)c1 ZINC000737095978 599414630 /nfs/dbraw/zinc/41/46/30/599414630.db2.gz RYNRMHFILFJPJU-UHFFFAOYSA-N -1 3 362.393 3.044 20 0 FGADHM O=C(CC/C=C/c1ccccc1)OCC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826405718 607375198 /nfs/dbraw/zinc/37/51/98/607375198.db2.gz QTHNZRCAUBMDKV-XBXARRHUSA-N -1 3 362.389 3.086 20 0 FGADHM O=C(CC/C=C/c1ccccc1)OCC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826405718 607375199 /nfs/dbraw/zinc/37/51/99/607375199.db2.gz QTHNZRCAUBMDKV-XBXARRHUSA-N -1 3 362.389 3.086 20 0 FGADHM COc1cc(CN(C)c2cc(Cl)ccc2-c2nnn[n-]2)cc(OC)c1 ZINC000737045877 599416970 /nfs/dbraw/zinc/41/69/70/599416970.db2.gz RMUIRPFWKOGOIS-UHFFFAOYSA-N -1 3 359.817 3.174 20 0 FGADHM COc1cc(CN(C)c2cc(Cl)ccc2-c2nn[n-]n2)cc(OC)c1 ZINC000737045877 599416972 /nfs/dbraw/zinc/41/69/72/599416972.db2.gz RMUIRPFWKOGOIS-UHFFFAOYSA-N -1 3 359.817 3.174 20 0 FGADHM CCCOc1ncccc1CNc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000736492742 599419132 /nfs/dbraw/zinc/41/91/32/599419132.db2.gz OCUZNMZIDIFITA-UHFFFAOYSA-N -1 3 361.409 3.211 20 0 FGADHM CCCOc1ncccc1CNc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000736492742 599419133 /nfs/dbraw/zinc/41/91/33/599419133.db2.gz OCUZNMZIDIFITA-UHFFFAOYSA-N -1 3 361.409 3.211 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1CSc1nc(C)nc2ccccc21 ZINC000821751766 607376016 /nfs/dbraw/zinc/37/60/16/607376016.db2.gz BTAGQGLNGCCVPG-UHFFFAOYSA-N -1 3 364.434 3.419 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1CSc1nc(C)nc2ccccc21 ZINC000821751766 607376018 /nfs/dbraw/zinc/37/60/18/607376018.db2.gz BTAGQGLNGCCVPG-UHFFFAOYSA-N -1 3 364.434 3.419 20 0 FGADHM Brc1ccc(C2(NCc3ccc(-c4nnn[n-]4)o3)CC2)cc1 ZINC000819689232 599424387 /nfs/dbraw/zinc/42/43/87/599424387.db2.gz YKFOYUDCZPWQPE-UHFFFAOYSA-N -1 3 360.215 3.001 20 0 FGADHM Brc1ccc(C2(NCc3ccc(-c4nn[n-]n4)o3)CC2)cc1 ZINC000819689232 599424389 /nfs/dbraw/zinc/42/43/89/599424389.db2.gz YKFOYUDCZPWQPE-UHFFFAOYSA-N -1 3 360.215 3.001 20 0 FGADHM CCC[C@H]1CCCC[C@H]1NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000821039149 599434495 /nfs/dbraw/zinc/43/44/95/599434495.db2.gz APARKMXQFYOCEF-BLLLJJGKSA-N -1 3 360.437 3.164 20 0 FGADHM CCC[C@H]1CCCC[C@H]1NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000821039149 599434497 /nfs/dbraw/zinc/43/44/97/599434497.db2.gz APARKMXQFYOCEF-BLLLJJGKSA-N -1 3 360.437 3.164 20 0 FGADHM C[C@H](NC(=O)N[C@@H]1c2ccccc2C[C@@H]1C)c1cccc(-c2nnn[n-]2)c1 ZINC000820359599 599438049 /nfs/dbraw/zinc/43/80/49/599438049.db2.gz TVYLOPQGIUXPSB-LXIYXOSZSA-N -1 3 362.437 3.160 20 0 FGADHM C[C@H](NC(=O)N[C@@H]1c2ccccc2C[C@@H]1C)c1cccc(-c2nn[n-]n2)c1 ZINC000820359599 599438052 /nfs/dbraw/zinc/43/80/52/599438052.db2.gz TVYLOPQGIUXPSB-LXIYXOSZSA-N -1 3 362.437 3.160 20 0 FGADHM CSC[C@@H](C)Nc1cc(C)c(-c2nnn[n-]2)c2nc3ccccc3n21 ZINC000737177961 599443697 /nfs/dbraw/zinc/44/36/97/599443697.db2.gz WOVKIYIBRVCRNH-LLVKDONJSA-N -1 3 353.455 3.139 20 0 FGADHM CSC[C@@H](C)Nc1cc(C)c(-c2nn[n-]n2)c2nc3ccccc3n21 ZINC000737177961 599443699 /nfs/dbraw/zinc/44/36/99/599443699.db2.gz WOVKIYIBRVCRNH-LLVKDONJSA-N -1 3 353.455 3.139 20 0 FGADHM COC(=O)c1cc(Cl)cc(NCc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000736949124 599445090 /nfs/dbraw/zinc/44/50/90/599445090.db2.gz CKFNEURWECFTKW-UHFFFAOYSA-N -1 3 361.764 3.058 20 0 FGADHM COC(=O)c1cc(Cl)cc(NCc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000736949124 599445092 /nfs/dbraw/zinc/44/50/92/599445092.db2.gz CKFNEURWECFTKW-UHFFFAOYSA-N -1 3 361.764 3.058 20 0 FGADHM C[C@H](c1ccc(F)cc1)N(C)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000820563078 599463722 /nfs/dbraw/zinc/46/37/22/599463722.db2.gz NJXRSVXGNVZIDE-LLVKDONJSA-N -1 3 372.379 3.048 20 0 FGADHM C[C@H](c1ccc(F)cc1)N(C)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000820563078 599463724 /nfs/dbraw/zinc/46/37/24/599463724.db2.gz NJXRSVXGNVZIDE-LLVKDONJSA-N -1 3 372.379 3.048 20 0 FGADHM C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736056244 599467819 /nfs/dbraw/zinc/46/78/19/599467819.db2.gz MEMBNALVOZAVDC-LBPRGKRZSA-N -1 3 355.829 3.223 20 0 FGADHM C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736056244 599467821 /nfs/dbraw/zinc/46/78/21/599467821.db2.gz MEMBNALVOZAVDC-LBPRGKRZSA-N -1 3 355.829 3.223 20 0 FGADHM Clc1cccc(-c2nnn[n-]2)c1NCCc1cnn(-c2ccccc2)c1 ZINC000822586238 599468159 /nfs/dbraw/zinc/46/81/59/599468159.db2.gz UYGJDEKAOXLYOY-UHFFFAOYSA-N -1 3 365.828 3.360 20 0 FGADHM Clc1cccc(-c2nn[n-]n2)c1NCCc1cnn(-c2ccccc2)c1 ZINC000822586238 599468161 /nfs/dbraw/zinc/46/81/61/599468161.db2.gz UYGJDEKAOXLYOY-UHFFFAOYSA-N -1 3 365.828 3.360 20 0 FGADHM CCOC(=O)N[C@@H](CNc1c(Cl)cccc1-c1nnn[n-]1)CC(C)C ZINC000821334242 599471626 /nfs/dbraw/zinc/47/16/26/599471626.db2.gz JUMSLZSSZZDUPK-LLVKDONJSA-N -1 3 366.853 3.093 20 0 FGADHM CCOC(=O)N[C@@H](CNc1c(Cl)cccc1-c1nn[n-]n1)CC(C)C ZINC000821334242 599471629 /nfs/dbraw/zinc/47/16/29/599471629.db2.gz JUMSLZSSZZDUPK-LLVKDONJSA-N -1 3 366.853 3.093 20 0 FGADHM CCCC(=O)Nc1cccc(CNc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000821009580 599479431 /nfs/dbraw/zinc/47/94/31/599479431.db2.gz WCVOVSKVVMMEAZ-UHFFFAOYSA-N -1 3 354.389 3.357 20 0 FGADHM CCCC(=O)Nc1cccc(CNc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000821009580 599479434 /nfs/dbraw/zinc/47/94/34/599479434.db2.gz WCVOVSKVVMMEAZ-UHFFFAOYSA-N -1 3 354.389 3.357 20 0 FGADHM C[C@H](NC(=O)N1CCC[C@@]2(CC=CCC2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820348476 599483059 /nfs/dbraw/zinc/48/30/59/599483059.db2.gz CYHBOPNTPAGLKW-YWZLYKJASA-N -1 3 366.469 3.460 20 0 FGADHM C[C@H](NC(=O)N1CCC[C@@]2(CC=CCC2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820348476 599483060 /nfs/dbraw/zinc/48/30/60/599483060.db2.gz CYHBOPNTPAGLKW-YWZLYKJASA-N -1 3 366.469 3.460 20 0 FGADHM c1c(CNc2c(-c3nnn[n-]3)cnc3ccccc32)sc2c1CCCC2 ZINC000823798763 599484307 /nfs/dbraw/zinc/48/43/07/599484307.db2.gz XTBBSDBBBPHFMR-UHFFFAOYSA-N -1 3 362.462 3.389 20 0 FGADHM c1c(CNc2c(-c3nn[n-]n3)cnc3ccccc32)sc2c1CCCC2 ZINC000823798763 599484308 /nfs/dbraw/zinc/48/43/08/599484308.db2.gz XTBBSDBBBPHFMR-UHFFFAOYSA-N -1 3 362.462 3.389 20 0 FGADHM Cc1cccc2c1CC[C@H]2NC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822340831 599484889 /nfs/dbraw/zinc/48/48/89/599484889.db2.gz JXKMQTZTYHRUPQ-FZKQIMNGSA-N -1 3 362.437 3.223 20 0 FGADHM Cc1cccc2c1CC[C@H]2NC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822340831 599484892 /nfs/dbraw/zinc/48/48/92/599484892.db2.gz JXKMQTZTYHRUPQ-FZKQIMNGSA-N -1 3 362.437 3.223 20 0 FGADHM CCC(CC)(C(=O)NCc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000820882435 599494753 /nfs/dbraw/zinc/49/47/53/599494753.db2.gz RMFLPDJONGIZHQ-UHFFFAOYSA-N -1 3 367.428 3.380 20 0 FGADHM CCC(CC)(C(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000820882435 599494756 /nfs/dbraw/zinc/49/47/56/599494756.db2.gz RMFLPDJONGIZHQ-UHFFFAOYSA-N -1 3 367.428 3.380 20 0 FGADHM Cc1ccc(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1-n1cccc1 ZINC000822226292 599503121 /nfs/dbraw/zinc/50/31/21/599503121.db2.gz LLYHMAJTFKUDAT-OAHLLOKOSA-N -1 3 372.432 3.457 20 0 FGADHM Cc1ccc(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1-n1cccc1 ZINC000822226292 599503122 /nfs/dbraw/zinc/50/31/22/599503122.db2.gz LLYHMAJTFKUDAT-OAHLLOKOSA-N -1 3 372.432 3.457 20 0 FGADHM C[C@@H](NC(=O)CCCOc1cccc(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820322971 599508742 /nfs/dbraw/zinc/50/87/42/599508742.db2.gz VITZRDUKHDBEPO-CYBMUJFWSA-N -1 3 369.400 3.042 20 0 FGADHM C[C@@H](NC(=O)CCCOc1cccc(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820322971 599508743 /nfs/dbraw/zinc/50/87/43/599508743.db2.gz VITZRDUKHDBEPO-CYBMUJFWSA-N -1 3 369.400 3.042 20 0 FGADHM CC(C)(C)c1cn2c(n1)CC[C@H](Nc1ccc(-c3nnn[n-]3)c(Cl)c1)C2 ZINC000819958873 599509944 /nfs/dbraw/zinc/50/99/44/599509944.db2.gz RTQKJQYMNLSREF-LBPRGKRZSA-N -1 3 371.876 3.441 20 0 FGADHM CC(C)(C)c1cn2c(n1)CC[C@H](Nc1ccc(-c3nn[n-]n3)c(Cl)c1)C2 ZINC000819958873 599509946 /nfs/dbraw/zinc/50/99/46/599509946.db2.gz RTQKJQYMNLSREF-LBPRGKRZSA-N -1 3 371.876 3.441 20 0 FGADHM CC(C)c1ccc(OCC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000820192802 599510441 /nfs/dbraw/zinc/51/04/41/599510441.db2.gz ZXKDMZSLZQROQB-AWEZNQCLSA-N -1 3 365.437 3.246 20 0 FGADHM CC(C)c1ccc(OCC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000820192802 599510442 /nfs/dbraw/zinc/51/04/42/599510442.db2.gz ZXKDMZSLZQROQB-AWEZNQCLSA-N -1 3 365.437 3.246 20 0 FGADHM C[C@@H](NC(=O)c1cccn1Cc1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820396904 599516743 /nfs/dbraw/zinc/51/67/43/599516743.db2.gz JJNSTSGLKXJJHP-OAHLLOKOSA-N -1 3 372.432 3.208 20 0 FGADHM C[C@@H](NC(=O)c1cccn1Cc1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820396904 599516745 /nfs/dbraw/zinc/51/67/45/599516745.db2.gz JJNSTSGLKXJJHP-OAHLLOKOSA-N -1 3 372.432 3.208 20 0 FGADHM Fc1ccc(-c2nc(CCNc3ccc(F)cc3-c3nnn[n-]3)co2)cc1 ZINC000822753623 599517239 /nfs/dbraw/zinc/51/72/39/599517239.db2.gz PYYKSWKVSUTRIC-UHFFFAOYSA-N -1 3 368.347 3.455 20 0 FGADHM Fc1ccc(-c2nc(CCNc3ccc(F)cc3-c3nn[n-]n3)co2)cc1 ZINC000822753623 599517240 /nfs/dbraw/zinc/51/72/40/599517240.db2.gz PYYKSWKVSUTRIC-UHFFFAOYSA-N -1 3 368.347 3.455 20 0 FGADHM Cc1ncsc1CCSc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC000737504184 599520846 /nfs/dbraw/zinc/52/08/46/599520846.db2.gz VJDZOGCWJANHPT-UHFFFAOYSA-N -1 3 358.496 3.240 20 0 FGADHM Cc1ncsc1CCSc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC000737504184 599520849 /nfs/dbraw/zinc/52/08/49/599520849.db2.gz VJDZOGCWJANHPT-UHFFFAOYSA-N -1 3 358.496 3.240 20 0 FGADHM Fc1ccc(N2CCO[C@H](c3ccccc3Cl)C2)c(-c2nnn[n-]2)c1 ZINC000822778793 599527005 /nfs/dbraw/zinc/52/70/05/599527005.db2.gz NZMMPUWANRIDRN-INIZCTEOSA-N -1 3 359.792 3.237 20 0 FGADHM Fc1ccc(N2CCO[C@H](c3ccccc3Cl)C2)c(-c2nn[n-]n2)c1 ZINC000822778793 599527008 /nfs/dbraw/zinc/52/70/08/599527008.db2.gz NZMMPUWANRIDRN-INIZCTEOSA-N -1 3 359.792 3.237 20 0 FGADHM c1cc2c(ccnc2N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)o1 ZINC000823767550 599527771 /nfs/dbraw/zinc/52/77/71/599527771.db2.gz TXGPPYARYJCLCT-UHFFFAOYSA-N -1 3 362.393 3.056 20 0 FGADHM CC[C@H](Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)c1nccs1 ZINC000736371868 599530315 /nfs/dbraw/zinc/53/03/15/599530315.db2.gz YOYQLZRWKHHVSE-QMMMGPOBSA-N -1 3 355.349 3.300 20 0 FGADHM CC[C@H](Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)c1nccs1 ZINC000736371868 599530317 /nfs/dbraw/zinc/53/03/17/599530317.db2.gz YOYQLZRWKHHVSE-QMMMGPOBSA-N -1 3 355.349 3.300 20 0 FGADHM CC(C)n1ccc(CNc2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)n1 ZINC000735966801 599532315 /nfs/dbraw/zinc/53/23/15/599532315.db2.gz WHJKGYIXVLLXLE-UHFFFAOYSA-N -1 3 370.367 3.083 20 0 FGADHM CC(C)n1ccc(CNc2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)n1 ZINC000735966801 599532317 /nfs/dbraw/zinc/53/23/17/599532317.db2.gz WHJKGYIXVLLXLE-UHFFFAOYSA-N -1 3 370.367 3.083 20 0 FGADHM C[C@H](Cc1ccc(F)cc1)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820293244 599533517 /nfs/dbraw/zinc/53/35/17/599533517.db2.gz JPKIVJPKWFUSME-CHWSQXEVSA-N -1 3 353.401 3.062 20 0 FGADHM C[C@H](Cc1ccc(F)cc1)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820293244 599533519 /nfs/dbraw/zinc/53/35/19/599533519.db2.gz JPKIVJPKWFUSME-CHWSQXEVSA-N -1 3 353.401 3.062 20 0 FGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H](C)c1ccsc1 ZINC000735515037 599541065 /nfs/dbraw/zinc/54/10/65/599541065.db2.gz YEMREJNECFOBGE-ZDUSSCGKSA-N -1 3 355.467 3.469 20 0 FGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@H](C)c1ccsc1 ZINC000735515037 599541069 /nfs/dbraw/zinc/54/10/69/599541069.db2.gz YEMREJNECFOBGE-ZDUSSCGKSA-N -1 3 355.467 3.469 20 0 FGADHM C[C@H](NC(=O)C1(c2cccc(F)c2)CCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820322373 599543737 /nfs/dbraw/zinc/54/37/37/599543737.db2.gz RQDAUUGBJFPEQZ-ZDUSSCGKSA-N -1 3 365.412 3.305 20 0 FGADHM C[C@H](NC(=O)C1(c2cccc(F)c2)CCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820322373 599543739 /nfs/dbraw/zinc/54/37/39/599543739.db2.gz RQDAUUGBJFPEQZ-ZDUSSCGKSA-N -1 3 365.412 3.305 20 0 FGADHM COc1ccc(CCCC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821790234 599545547 /nfs/dbraw/zinc/54/55/47/599545547.db2.gz KMKFGBOELQERTH-CQSZACIVSA-N -1 3 365.437 3.075 20 0 FGADHM COc1ccc(CCCC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821790234 599545548 /nfs/dbraw/zinc/54/55/48/599545548.db2.gz KMKFGBOELQERTH-CQSZACIVSA-N -1 3 365.437 3.075 20 0 FGADHM O[C@@H](CNc1ccc(F)cc1-c1nnn[n-]1)c1ccc(Cl)cc1Cl ZINC000823689142 599550942 /nfs/dbraw/zinc/55/09/42/599550942.db2.gz BJHYEXVMNCQCRI-AWEZNQCLSA-N -1 3 368.199 3.458 20 0 FGADHM O[C@@H](CNc1ccc(F)cc1-c1nn[n-]n1)c1ccc(Cl)cc1Cl ZINC000823689142 599550945 /nfs/dbraw/zinc/55/09/45/599550945.db2.gz BJHYEXVMNCQCRI-AWEZNQCLSA-N -1 3 368.199 3.458 20 0 FGADHM O[C@H](CNc1ccc(F)cc1-c1nnn[n-]1)c1cc(Cl)cc(Cl)c1 ZINC000823689175 599564920 /nfs/dbraw/zinc/56/49/20/599564920.db2.gz CJMWXXYKAPURMZ-CQSZACIVSA-N -1 3 368.199 3.458 20 0 FGADHM O[C@H](CNc1ccc(F)cc1-c1nn[n-]n1)c1cc(Cl)cc(Cl)c1 ZINC000823689175 599564922 /nfs/dbraw/zinc/56/49/22/599564922.db2.gz CJMWXXYKAPURMZ-CQSZACIVSA-N -1 3 368.199 3.458 20 0 FGADHM CC1(C)Cc2cccc(CNCc3ccc(-c4nn[n-]n4)cc3F)c2O1 ZINC000736214280 599598449 /nfs/dbraw/zinc/59/84/49/599598449.db2.gz MGRZJGUMLKXJGC-UHFFFAOYSA-N -1 3 353.401 3.009 20 0 FGADHM C[C@@H](Cc1ccccc1F)C(=O)OCc1cc(-c2nnn[n-]2)ccc1F ZINC000736059945 599607621 /nfs/dbraw/zinc/60/76/21/599607621.db2.gz YCQJYMAWELNOQM-NSHDSACASA-N -1 3 358.348 3.067 20 0 FGADHM C[C@@H](Cc1ccccc1F)C(=O)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000736059945 599607623 /nfs/dbraw/zinc/60/76/23/599607623.db2.gz YCQJYMAWELNOQM-NSHDSACASA-N -1 3 358.348 3.067 20 0 FGADHM CC[C@@H](c1ccc(F)cc1)S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000736391268 599608557 /nfs/dbraw/zinc/60/85/57/599608557.db2.gz MBQYYSDHDVFRBR-INIZCTEOSA-N -1 3 360.414 3.072 20 0 FGADHM CC[C@@H](c1ccc(F)cc1)S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000736391268 599608559 /nfs/dbraw/zinc/60/85/59/599608559.db2.gz MBQYYSDHDVFRBR-INIZCTEOSA-N -1 3 360.414 3.072 20 0 FGADHM C[C@H](OC(=O)c1coc(-c2ccccc2)n1)c1cccc(-c2nnn[n-]2)c1 ZINC000736162171 599617928 /nfs/dbraw/zinc/61/79/28/599617928.db2.gz HSGGABXSIROHEV-LBPRGKRZSA-N -1 3 361.361 3.440 20 0 FGADHM C[C@H](OC(=O)c1coc(-c2ccccc2)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000736162171 599617930 /nfs/dbraw/zinc/61/79/30/599617930.db2.gz HSGGABXSIROHEV-LBPRGKRZSA-N -1 3 361.361 3.440 20 0 FGADHM C[C@H](OC(=O)[C@@H]1C[C@@]12CCc1ccccc12)c1cccc(-c2nnn[n-]2)c1 ZINC000820489024 599621475 /nfs/dbraw/zinc/62/14/75/599621475.db2.gz YEDHXIDSJUZANU-LTBCBRHQSA-N -1 3 360.417 3.375 20 0 FGADHM C[C@H](OC(=O)[C@@H]1C[C@@]12CCc1ccccc12)c1cccc(-c2nn[n-]n2)c1 ZINC000820489024 599621476 /nfs/dbraw/zinc/62/14/76/599621476.db2.gz YEDHXIDSJUZANU-LTBCBRHQSA-N -1 3 360.417 3.375 20 0 FGADHM C[C@@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2)C(F)(F)F ZINC000819876870 599628569 /nfs/dbraw/zinc/62/85/69/599628569.db2.gz JOIIVVHSFIITFT-ZETCQYMHSA-N -1 3 359.377 3.334 20 0 FGADHM C[C@@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2)C(F)(F)F ZINC000819876870 599628570 /nfs/dbraw/zinc/62/85/70/599628570.db2.gz JOIIVVHSFIITFT-ZETCQYMHSA-N -1 3 359.377 3.334 20 0 FGADHM O=C(Nc1ccccc1-c1nnn[n-]1)c1cccc(-c2noc(C3CC3)n2)c1 ZINC000823367714 599629015 /nfs/dbraw/zinc/62/90/15/599629015.db2.gz NYMPABZJIWJXJI-UHFFFAOYSA-N -1 3 373.376 3.046 20 0 FGADHM O=C(Nc1ccccc1-c1nn[n-]n1)c1cccc(-c2noc(C3CC3)n2)c1 ZINC000823367714 599629016 /nfs/dbraw/zinc/62/90/16/599629016.db2.gz NYMPABZJIWJXJI-UHFFFAOYSA-N -1 3 373.376 3.046 20 0 FGADHM O=C(CCC(F)(F)F)N(Cc1ccco1)c1ccccc1-c1nnn[n-]1 ZINC000822950614 599629843 /nfs/dbraw/zinc/62/98/43/599629843.db2.gz VDBPZVYTOUBZDV-UHFFFAOYSA-N -1 3 365.315 3.335 20 0 FGADHM O=C(CCC(F)(F)F)N(Cc1ccco1)c1ccccc1-c1nn[n-]n1 ZINC000822950614 599629844 /nfs/dbraw/zinc/62/98/44/599629844.db2.gz VDBPZVYTOUBZDV-UHFFFAOYSA-N -1 3 365.315 3.335 20 0 FGADHM CCCCC[C@H](C)CC(=O)N(CCOC)c1ccc(-c2nnn[n-]2)cc1 ZINC000821042934 599631874 /nfs/dbraw/zinc/63/18/74/599631874.db2.gz JHRKMWUSANWAFS-HNNXBMFYSA-N -1 3 359.474 3.453 20 0 FGADHM CCCCC[C@H](C)CC(=O)N(CCOC)c1ccc(-c2nn[n-]n2)cc1 ZINC000821042934 599631875 /nfs/dbraw/zinc/63/18/75/599631875.db2.gz JHRKMWUSANWAFS-HNNXBMFYSA-N -1 3 359.474 3.453 20 0 FGADHM O=C(Cc1ccsc1)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000823115016 599633201 /nfs/dbraw/zinc/63/32/01/599633201.db2.gz HXXLPWKJSKVCTC-UHFFFAOYSA-N -1 3 353.329 3.128 20 0 FGADHM O=C(Cc1ccsc1)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823115016 599633202 /nfs/dbraw/zinc/63/32/02/599633202.db2.gz HXXLPWKJSKVCTC-UHFFFAOYSA-N -1 3 353.329 3.128 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1cccc(F)c1F ZINC000823303260 599633285 /nfs/dbraw/zinc/63/32/85/599633285.db2.gz FEHCRFMHUPOUIF-UHFFFAOYSA-N -1 3 369.253 3.416 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1cccc(F)c1F ZINC000823303260 599633286 /nfs/dbraw/zinc/63/32/86/599633286.db2.gz FEHCRFMHUPOUIF-UHFFFAOYSA-N -1 3 369.253 3.416 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1cc(F)cc(F)c1 ZINC000823303933 599633457 /nfs/dbraw/zinc/63/34/57/599633457.db2.gz ZCXQJBALMYAWPL-UHFFFAOYSA-N -1 3 369.253 3.416 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1cc(F)cc(F)c1 ZINC000823303933 599633458 /nfs/dbraw/zinc/63/34/58/599633458.db2.gz ZCXQJBALMYAWPL-UHFFFAOYSA-N -1 3 369.253 3.416 20 0 FGADHM CC(C)C[C@@H]1CCN(C(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)C1 ZINC000820067171 599652589 /nfs/dbraw/zinc/65/25/89/599652589.db2.gz FIIVLEOIJJVSTN-INIZCTEOSA-N -1 3 371.485 3.310 20 0 FGADHM CC(C)C[C@@H]1CCN(C(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)C1 ZINC000820067171 599652590 /nfs/dbraw/zinc/65/25/90/599652590.db2.gz FIIVLEOIJJVSTN-INIZCTEOSA-N -1 3 371.485 3.310 20 0 FGADHM C[C@H](C(=O)OCCOc1cccc(-c2nnn[n-]2)c1)c1cccc(Cl)c1 ZINC000819883793 599665485 /nfs/dbraw/zinc/66/54/85/599665485.db2.gz NMVGYAAMPOMBPS-LBPRGKRZSA-N -1 3 372.812 3.246 20 0 FGADHM C[C@H](C(=O)OCCOc1cccc(-c2nn[n-]n2)c1)c1cccc(Cl)c1 ZINC000819883793 599665486 /nfs/dbraw/zinc/66/54/86/599665486.db2.gz NMVGYAAMPOMBPS-LBPRGKRZSA-N -1 3 372.812 3.246 20 0 FGADHM O=C(OCCOc1cccc(-c2nnn[n-]2)c1)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000823410491 599665638 /nfs/dbraw/zinc/66/56/38/599665638.db2.gz XQGSIPYINGUEBN-IAGOWNOFSA-N -1 3 356.426 3.005 20 0 FGADHM O=C(OCCOc1cccc(-c2nn[n-]n2)c1)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000823410491 599665639 /nfs/dbraw/zinc/66/56/39/599665639.db2.gz XQGSIPYINGUEBN-IAGOWNOFSA-N -1 3 356.426 3.005 20 0 FGADHM C[C@@H](CCc1cccc(F)c1)C(=O)OCc1ccc(-c2nnn[n-]2)cc1F ZINC000820254459 599669921 /nfs/dbraw/zinc/66/99/21/599669921.db2.gz PTOCTQQIMDZIHH-LBPRGKRZSA-N -1 3 372.375 3.457 20 0 FGADHM C[C@@H](CCc1cccc(F)c1)C(=O)OCc1ccc(-c2nn[n-]n2)cc1F ZINC000820254459 599669922 /nfs/dbraw/zinc/66/99/22/599669922.db2.gz PTOCTQQIMDZIHH-LBPRGKRZSA-N -1 3 372.375 3.457 20 0 FGADHM C[C@@H](NC(=O)NC(C)(C)c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820351481 599673016 /nfs/dbraw/zinc/67/30/16/599673016.db2.gz PSHWJTYQOHPPMM-CYBMUJFWSA-N -1 3 350.426 3.162 20 0 FGADHM C[C@@H](NC(=O)NC(C)(C)c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820351481 599673017 /nfs/dbraw/zinc/67/30/17/599673017.db2.gz PSHWJTYQOHPPMM-CYBMUJFWSA-N -1 3 350.426 3.162 20 0 FGADHM Cc1ccccc1-c1noc([C@@H](C)Sc2ccc(-c3nnn[n-]3)cn2)n1 ZINC000822345437 599690128 /nfs/dbraw/zinc/69/01/28/599690128.db2.gz IZKZQOCUDFMFPH-LLVKDONJSA-N -1 3 365.422 3.473 20 0 FGADHM Cc1ccccc1-c1noc([C@@H](C)Sc2ccc(-c3nn[n-]n3)cn2)n1 ZINC000822345437 599690129 /nfs/dbraw/zinc/69/01/29/599690129.db2.gz IZKZQOCUDFMFPH-LLVKDONJSA-N -1 3 365.422 3.473 20 0 FGADHM CC[C@@H](CNC(=O)c1ccccc1NC(=O)[O-])N1CCc2ccccc2C1 ZINC000736906000 599708053 /nfs/dbraw/zinc/70/80/53/599708053.db2.gz WMVMDIBFJGNZTL-KRWDZBQOSA-N -1 3 367.449 3.343 20 0 FGADHM CC1CCN([C@@H](CNC(=O)CCCN(C)C(=O)[O-])c2cccs2)CC1 ZINC000736796143 599724848 /nfs/dbraw/zinc/72/48/48/599724848.db2.gz DDELKYCSIIUALH-HNNXBMFYSA-N -1 3 367.515 3.027 20 0 FGADHM CC(C)[C@H](C(=O)Nc1cccc(CSCC(=O)[O-])c1)N1CCCCC1 ZINC000736348426 599753085 /nfs/dbraw/zinc/75/30/85/599753085.db2.gz AFVIZCDQOFVRGL-GOSISDBHSA-N -1 3 364.511 3.453 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccc(C(C)C)nc1 ZINC000821104444 607392204 /nfs/dbraw/zinc/39/22/04/607392204.db2.gz DCFBEJVMNRSNKJ-UHFFFAOYSA-N -1 3 364.453 3.438 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccc(C(C)C)nc1 ZINC000821104444 607392206 /nfs/dbraw/zinc/39/22/06/607392206.db2.gz DCFBEJVMNRSNKJ-UHFFFAOYSA-N -1 3 364.453 3.438 20 0 FGADHM CC(C)Oc1ccc(NC(=O)C[C@@H](C)c2cccnc2)cc1-c1nnn[n-]1 ZINC000820159995 607396736 /nfs/dbraw/zinc/39/67/36/607396736.db2.gz CKWRDEAKYOQVPT-CYBMUJFWSA-N -1 3 366.425 3.181 20 0 FGADHM CC(C)Oc1ccc(NC(=O)C[C@@H](C)c2cccnc2)cc1-c1nn[n-]n1 ZINC000820159995 607396738 /nfs/dbraw/zinc/39/67/38/607396738.db2.gz CKWRDEAKYOQVPT-CYBMUJFWSA-N -1 3 366.425 3.181 20 0 FGADHM CC(C)Oc1ccc(NC(=O)[C@H](C)c2cccs2)cc1-c1nnn[n-]1 ZINC000820161684 607396930 /nfs/dbraw/zinc/39/69/30/607396930.db2.gz ZRKANIUYWCQLTB-LLVKDONJSA-N -1 3 357.439 3.458 20 0 FGADHM CC(C)Oc1ccc(NC(=O)[C@H](C)c2cccs2)cc1-c1nn[n-]n1 ZINC000820161684 607396931 /nfs/dbraw/zinc/39/69/31/607396931.db2.gz ZRKANIUYWCQLTB-LLVKDONJSA-N -1 3 357.439 3.458 20 0 FGADHM CC(C)Oc1ccc(NC(=O)CCc2cccs2)cc1-c1nnn[n-]1 ZINC000820160097 607398552 /nfs/dbraw/zinc/39/85/52/607398552.db2.gz GWVPAOIUZFOLMB-UHFFFAOYSA-N -1 3 357.439 3.287 20 0 FGADHM CC(C)Oc1ccc(NC(=O)CCc2cccs2)cc1-c1nn[n-]n1 ZINC000820160097 607398553 /nfs/dbraw/zinc/39/85/53/607398553.db2.gz GWVPAOIUZFOLMB-UHFFFAOYSA-N -1 3 357.439 3.287 20 0 FGADHM CC(C)Oc1ccc(NC(=O)[C@H](C)c2ccsc2)cc1-c1nnn[n-]1 ZINC000820160038 607399418 /nfs/dbraw/zinc/39/94/18/607399418.db2.gz DTSHIPCEWOBPOL-LLVKDONJSA-N -1 3 357.439 3.458 20 0 FGADHM CC(C)Oc1ccc(NC(=O)[C@H](C)c2ccsc2)cc1-c1nn[n-]n1 ZINC000820160038 607399420 /nfs/dbraw/zinc/39/94/20/607399420.db2.gz DTSHIPCEWOBPOL-LLVKDONJSA-N -1 3 357.439 3.458 20 0 FGADHM CC(C)Oc1ccc(NC(=O)[C@@H]2CCc3ccccc32)cc1-c1nnn[n-]1 ZINC000820161604 607403255 /nfs/dbraw/zinc/40/32/55/607403255.db2.gz YBUZOKATDJOPLW-MRXNPFEDSA-N -1 3 363.421 3.322 20 0 FGADHM CC(C)Oc1ccc(NC(=O)[C@@H]2CCc3ccccc32)cc1-c1nn[n-]n1 ZINC000820161604 607403257 /nfs/dbraw/zinc/40/32/57/607403257.db2.gz YBUZOKATDJOPLW-MRXNPFEDSA-N -1 3 363.421 3.322 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)[C@@H]1C[C@]12CCc1ccccc12 ZINC000826253603 607403301 /nfs/dbraw/zinc/40/33/01/607403301.db2.gz WTSBSCNUNKBKJI-RXVVDRJESA-N -1 3 360.417 3.122 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)[C@@H]1C[C@]12CCc1ccccc12 ZINC000826253603 607403303 /nfs/dbraw/zinc/40/33/03/607403303.db2.gz WTSBSCNUNKBKJI-RXVVDRJESA-N -1 3 360.417 3.122 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)[C@H](C)Oc1cccc(Cl)c1 ZINC000826252531 607404039 /nfs/dbraw/zinc/40/40/39/607404039.db2.gz GRDKQGAZQPROLX-LBPRGKRZSA-N -1 3 372.812 3.339 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)[C@H](C)Oc1cccc(Cl)c1 ZINC000826252531 607404041 /nfs/dbraw/zinc/40/40/41/607404041.db2.gz GRDKQGAZQPROLX-LBPRGKRZSA-N -1 3 372.812 3.339 20 0 FGADHM O=C(Oc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1)[C@H]1CCCCO1 ZINC000823453852 607404438 /nfs/dbraw/zinc/40/44/38/607404438.db2.gz BUDBINVMECSNNY-QGZVFWFLSA-N -1 3 366.377 3.134 20 0 FGADHM O=C(Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)[C@H]1CCCCO1 ZINC000823453852 607404440 /nfs/dbraw/zinc/40/44/40/607404440.db2.gz BUDBINVMECSNNY-QGZVFWFLSA-N -1 3 366.377 3.134 20 0 FGADHM O=C([O-])c1cccc(CN2CCC(c3nc(-c4ccccn4)no3)CC2)c1 ZINC000740221173 599889437 /nfs/dbraw/zinc/88/94/37/599889437.db2.gz KXQYHGZMMFFHFW-UHFFFAOYSA-N -1 3 364.405 3.209 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000821736487 607409831 /nfs/dbraw/zinc/40/98/31/607409831.db2.gz KXDIRRSZQQERAJ-UHFFFAOYSA-N -1 3 368.437 3.135 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000821736487 607409832 /nfs/dbraw/zinc/40/98/32/607409832.db2.gz KXDIRRSZQQERAJ-UHFFFAOYSA-N -1 3 368.437 3.135 20 0 FGADHM Cc1ccc(SCC(=O)OCc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000826292682 607410343 /nfs/dbraw/zinc/41/03/43/607410343.db2.gz HBENZBAHPNTEFZ-UHFFFAOYSA-N -1 3 354.435 3.319 20 0 FGADHM Cc1ccc(SCC(=O)OCc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000826292682 607410344 /nfs/dbraw/zinc/41/03/44/607410344.db2.gz HBENZBAHPNTEFZ-UHFFFAOYSA-N -1 3 354.435 3.319 20 0 FGADHM O=C([O-])[C@@H](NC(=O)c1cccc(CN2CCCC2)c1)c1cc(F)ccc1F ZINC000739375232 599989617 /nfs/dbraw/zinc/98/96/17/599989617.db2.gz WXORJZPXVDPGAL-SFHVURJKSA-N -1 3 374.387 3.116 20 0 FGADHM COc1ccccc1C(C)(C)C(=O)OCc1ccc(-c2nnn[n-]2)cc1C ZINC000826219334 607412560 /nfs/dbraw/zinc/41/25/60/607412560.db2.gz YVYIQIMRTWJVBT-UHFFFAOYSA-N -1 3 366.421 3.205 20 0 FGADHM COc1ccccc1C(C)(C)C(=O)OCc1ccc(-c2nn[n-]n2)cc1C ZINC000826219334 607412561 /nfs/dbraw/zinc/41/25/61/607412561.db2.gz YVYIQIMRTWJVBT-UHFFFAOYSA-N -1 3 366.421 3.205 20 0 FGADHM Cc1cc(NC(=O)N(CCc2ccccc2)CCN(C)C)ccc1C(=O)[O-] ZINC000738438383 600015765 /nfs/dbraw/zinc/01/57/65/600015765.db2.gz UXEFVPUSCGDOAR-UHFFFAOYSA-N -1 3 369.465 3.331 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)[C@@H](C)Cc1ccc(F)cc1 ZINC000826252369 607413374 /nfs/dbraw/zinc/41/33/74/607413374.db2.gz AMYVDQLDILKRQW-ZDUSSCGKSA-N -1 3 354.385 3.236 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)[C@@H](C)Cc1ccc(F)cc1 ZINC000826252369 607413376 /nfs/dbraw/zinc/41/33/76/607413376.db2.gz AMYVDQLDILKRQW-ZDUSSCGKSA-N -1 3 354.385 3.236 20 0 FGADHM Cc1cscc1NC(=O)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC000826320692 607414914 /nfs/dbraw/zinc/41/49/14/607414914.db2.gz AEDVQZWFXCYLMA-HNNXBMFYSA-N -1 3 357.439 3.279 20 0 FGADHM Cc1cscc1NC(=O)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(C)C ZINC000826320692 607414915 /nfs/dbraw/zinc/41/49/15/607414915.db2.gz AEDVQZWFXCYLMA-HNNXBMFYSA-N -1 3 357.439 3.279 20 0 FGADHM CC[C@H](NCC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-])c1ccc(C)cc1 ZINC000736919490 600045450 /nfs/dbraw/zinc/04/54/50/600045450.db2.gz ZXBAPGHQHYZPQF-PMACEKPBSA-N -1 3 366.461 3.074 20 0 FGADHM CC[C@@H](NCC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-])c1ccc(C)cc1 ZINC000736919493 600045614 /nfs/dbraw/zinc/04/56/14/600045614.db2.gz ZXBAPGHQHYZPQF-WOJBJXKFSA-N -1 3 366.461 3.074 20 0 FGADHM CC[C@H](NCC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-])c1ccc(C)cc1 ZINC000736919492 600045695 /nfs/dbraw/zinc/04/56/95/600045695.db2.gz ZXBAPGHQHYZPQF-VQTJNVASSA-N -1 3 366.461 3.074 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)C(C)(C)Cc1ccccc1 ZINC000821737319 607418291 /nfs/dbraw/zinc/41/82/91/607418291.db2.gz UXAUVWJQZOKQFK-UHFFFAOYSA-N -1 3 366.421 3.187 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)C(C)(C)Cc1ccccc1 ZINC000821737319 607418293 /nfs/dbraw/zinc/41/82/93/607418293.db2.gz UXAUVWJQZOKQFK-UHFFFAOYSA-N -1 3 366.421 3.187 20 0 FGADHM O=C([O-])c1cc(F)ccc1CN1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000740077683 600085473 /nfs/dbraw/zinc/08/54/73/600085473.db2.gz GHNVCQJILAATEV-OAHLLOKOSA-N -1 3 372.444 3.221 20 0 FGADHM CC(C)[C@H](NCC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-])c1ccccc1 ZINC000736388664 600117582 /nfs/dbraw/zinc/11/75/82/600117582.db2.gz BZJIBWYMCQRXCA-CTNGQTDRSA-N -1 3 366.461 3.011 20 0 FGADHM O=C(NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1ccc(C(F)F)cc1 ZINC000826428317 607423327 /nfs/dbraw/zinc/42/33/27/607423327.db2.gz YGMJHTYIJXOKIC-UHFFFAOYSA-N -1 3 355.348 3.223 20 0 FGADHM O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1ccc(C(F)F)cc1 ZINC000826428317 607423328 /nfs/dbraw/zinc/42/33/28/607423328.db2.gz YGMJHTYIJXOKIC-UHFFFAOYSA-N -1 3 355.348 3.223 20 0 FGADHM O=C(NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1cc2occc2s1 ZINC000826427925 607424647 /nfs/dbraw/zinc/42/46/47/607424647.db2.gz HMFJDRDUAUKQMO-UHFFFAOYSA-N -1 3 351.391 3.094 20 0 FGADHM O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1cc2occc2s1 ZINC000826427925 607424648 /nfs/dbraw/zinc/42/46/48/607424648.db2.gz HMFJDRDUAUKQMO-UHFFFAOYSA-N -1 3 351.391 3.094 20 0 FGADHM CC(C)Oc1ccc(NC(=O)N(C)Cc2cccs2)cc1-c1nnn[n-]1 ZINC000820164725 607426102 /nfs/dbraw/zinc/42/61/02/607426102.db2.gz KYCPUGMFJBZYEU-UHFFFAOYSA-N -1 3 372.454 3.379 20 0 FGADHM CC(C)Oc1ccc(NC(=O)N(C)Cc2cccs2)cc1-c1nn[n-]n1 ZINC000820164725 607426104 /nfs/dbraw/zinc/42/61/04/607426104.db2.gz KYCPUGMFJBZYEU-UHFFFAOYSA-N -1 3 372.454 3.379 20 0 FGADHM O=C(C[C@@H]1CCCc2ccccc21)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826405217 607427504 /nfs/dbraw/zinc/42/75/04/607427504.db2.gz YVRCYDDBUOFBEF-INIZCTEOSA-N -1 3 373.460 3.482 20 0 FGADHM O=C(C[C@@H]1CCCc2ccccc21)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826405217 607427505 /nfs/dbraw/zinc/42/75/05/607427505.db2.gz YVRCYDDBUOFBEF-INIZCTEOSA-N -1 3 373.460 3.482 20 0 FGADHM CC(C)N(CCC(=O)[O-])CC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000736466172 600222793 /nfs/dbraw/zinc/22/27/93/600222793.db2.gz QDZOZKUFTFPOCQ-IBGZPJMESA-N -1 3 360.479 3.139 20 0 FGADHM O=C([O-])c1cccc(NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)c1O ZINC000740227959 600234605 /nfs/dbraw/zinc/23/46/05/600234605.db2.gz GWQVGTPZXKKLEH-AWEZNQCLSA-N -1 3 372.396 3.080 20 0 FGADHM C[C@H](C(=O)N1CCC(CC(=O)[O-])CC1)N1CCC(Cc2ccccc2)CC1 ZINC000736202871 600248495 /nfs/dbraw/zinc/24/84/95/600248495.db2.gz AAWMXKXTWINOSC-QGZVFWFLSA-N -1 3 372.509 3.043 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(CC(F)(F)F)[C@@H](C)C(C)C ZINC000826243971 607432248 /nfs/dbraw/zinc/43/22/48/607432248.db2.gz CBHXPGUDIHJZRI-NSHDSACASA-N -1 3 355.364 3.224 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(CC(F)(F)F)[C@@H](C)C(C)C ZINC000826243971 607432249 /nfs/dbraw/zinc/43/22/49/607432249.db2.gz CBHXPGUDIHJZRI-NSHDSACASA-N -1 3 355.364 3.224 20 0 FGADHM CN(C(=O)c1ccc(-c2ccccc2)n1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825825919 607434049 /nfs/dbraw/zinc/43/40/49/607434049.db2.gz NWOJUBCWWDNZFI-UHFFFAOYSA-N -1 3 358.405 3.149 20 0 FGADHM CN(C(=O)c1ccc(-c2ccccc2)n1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825825919 607434051 /nfs/dbraw/zinc/43/40/51/607434051.db2.gz NWOJUBCWWDNZFI-UHFFFAOYSA-N -1 3 358.405 3.149 20 0 FGADHM COc1cccc([C@H](C)CC(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826214506 607435516 /nfs/dbraw/zinc/43/55/16/607435516.db2.gz NTAVINXUGUHXNS-CYBMUJFWSA-N -1 3 351.410 3.032 20 0 FGADHM COc1cccc([C@H](C)CC(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826214506 607435517 /nfs/dbraw/zinc/43/55/17/607435517.db2.gz NTAVINXUGUHXNS-CYBMUJFWSA-N -1 3 351.410 3.032 20 0 FGADHM O=C([O-])c1cc(NC(=O)N[C@@H](CN2CCCC2)c2ccccc2)ccc1F ZINC000739472899 600385936 /nfs/dbraw/zinc/38/59/36/600385936.db2.gz RIIFXMCWPKCOMX-SFHVURJKSA-N -1 3 371.412 3.483 20 0 FGADHM O=C([O-])c1ccc(NC(=O)N[C@@H](CN2CCCC2)c2ccccc2)c(F)c1 ZINC000739466287 600399849 /nfs/dbraw/zinc/39/98/49/600399849.db2.gz AFDLLRLSUKFLBK-SFHVURJKSA-N -1 3 371.412 3.483 20 0 FGADHM CCCCN(C)C(=O)C1CCN([C@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC000736992126 600400287 /nfs/dbraw/zinc/40/02/87/600400287.db2.gz XFHSAZDAOSJNED-KRWDZBQOSA-N -1 3 366.889 3.436 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)C/C=C/c1cccc(F)c1 ZINC000826252975 607445197 /nfs/dbraw/zinc/44/51/97/607445197.db2.gz AYUNISYCXFPOTK-HWKANZROSA-N -1 3 352.369 3.461 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)C/C=C/c1cccc(F)c1 ZINC000826252975 607445199 /nfs/dbraw/zinc/44/51/99/607445199.db2.gz AYUNISYCXFPOTK-HWKANZROSA-N -1 3 352.369 3.461 20 0 FGADHM CC[C@@H](CSc1ccccc1)NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825128822 607772361 /nfs/dbraw/zinc/77/23/61/607772361.db2.gz ZDPBAMQCTPEBAW-HNNXBMFYSA-N -1 3 353.451 3.167 20 0 FGADHM CC[C@@H](CSc1ccccc1)NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825128822 607772362 /nfs/dbraw/zinc/77/23/62/607772362.db2.gz ZDPBAMQCTPEBAW-HNNXBMFYSA-N -1 3 353.451 3.167 20 0 FGADHM O=C([O-])c1ccc(NC(=O)NC[C@@H]2CCCN2Cc2ccccc2)cc1 ZINC000390601254 600540295 /nfs/dbraw/zinc/54/02/95/600540295.db2.gz BHESSFTVZVKRKU-SFHVURJKSA-N -1 3 353.422 3.171 20 0 FGADHM CC(C)N(CCC(=O)[O-])Cn1nc2c3c1cccc3C(=O)c1ccccc1-2 ZINC000736468381 600609401 /nfs/dbraw/zinc/60/94/01/600609401.db2.gz POKFGMJPEPUIAJ-UHFFFAOYSA-N -1 3 363.417 3.390 20 0 FGADHM O=C(CN(CC1CC1)CC1CC1)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC000739273257 600630533 /nfs/dbraw/zinc/63/05/33/600630533.db2.gz GSRPUFVAAOBNPO-UHFFFAOYSA-N -1 3 362.495 3.386 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1C[C@@H](C(C)C)Nc2ccccc21 ZINC000826244430 607461706 /nfs/dbraw/zinc/46/17/06/607461706.db2.gz RUMKIYHGRLYFFN-KRWDZBQOSA-N -1 3 362.437 3.272 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1C[C@@H](C(C)C)Nc2ccccc21 ZINC000826244430 607461707 /nfs/dbraw/zinc/46/17/07/607461707.db2.gz RUMKIYHGRLYFFN-KRWDZBQOSA-N -1 3 362.437 3.272 20 0 FGADHM O=C1N[C@@H](c2ccc(-c3nnn[n-]3)cc2F)Nc2c3ccccc3sc21 ZINC000823541532 607462474 /nfs/dbraw/zinc/46/24/74/607462474.db2.gz PXRPWQDBZPOJKI-INIZCTEOSA-N -1 3 366.381 3.075 20 0 FGADHM O=C1N[C@@H](c2ccc(-c3nn[n-]n3)cc2F)Nc2c3ccccc3sc21 ZINC000823541532 607462476 /nfs/dbraw/zinc/46/24/76/607462476.db2.gz PXRPWQDBZPOJKI-INIZCTEOSA-N -1 3 366.381 3.075 20 0 FGADHM CC[C@@H]1Oc2cc([C@H](C)N[C@@H](C(=O)[O-])c3ccc(F)cc3)ccc2NC1=O ZINC000829169465 600695126 /nfs/dbraw/zinc/69/51/26/600695126.db2.gz DTPAXWVGAUXXOM-SDDDUWNISA-N -1 3 372.396 3.412 20 0 FGADHM Cc1cc(-c2nn[n-]n2)cc(C)c1OCc1noc(C2CCCCC2)n1 ZINC000822136298 607466134 /nfs/dbraw/zinc/46/61/34/607466134.db2.gz KQYVZXPUYOHHAE-UHFFFAOYSA-N -1 3 354.414 3.493 20 0 FGADHM O[C@H](C[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1 ZINC000823674044 607468885 /nfs/dbraw/zinc/46/88/85/607468885.db2.gz PISQMMOXUPFWLJ-ZWKOTPCHSA-N -1 3 353.401 3.098 20 0 FGADHM O[C@@H](C[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1 ZINC000823674043 607468972 /nfs/dbraw/zinc/46/89/72/607468972.db2.gz PISQMMOXUPFWLJ-ROUUACIJSA-N -1 3 353.401 3.098 20 0 FGADHM C[C@@H](C(=O)N[C@@H](CC(=O)[O-])c1cccc(Cl)c1)N1CCCCCC1 ZINC000825995159 600813141 /nfs/dbraw/zinc/81/31/41/600813141.db2.gz NSYSUFRSQVGFGO-BBRMVZONSA-N -1 3 352.862 3.237 20 0 FGADHM Cn1nccc1[C@H]1CCCN(CCOc2ccc(C(=O)[O-])cc2Cl)C1 ZINC000833061195 600819676 /nfs/dbraw/zinc/81/96/76/600819676.db2.gz PUZDGASCAINJQT-AWEZNQCLSA-N -1 3 363.845 3.030 20 0 FGADHM Fc1ccc([C@@H](NCc2ccc(-c3nn[n-]n3)cc2F)[C@H]2CCCO2)cc1 ZINC000822766458 607477604 /nfs/dbraw/zinc/47/76/04/607477604.db2.gz JQELJKZFLQXJJN-QZTJIDSGSA-N -1 3 371.391 3.155 20 0 FGADHM Cc1nn(-c2ccccc2)c(C)c1NCc1ccc(-c2nnn[n-]2)cc1F ZINC000822486513 607479652 /nfs/dbraw/zinc/47/96/52/607479652.db2.gz MMJGRSJLOPXIEJ-UHFFFAOYSA-N -1 3 363.400 3.420 20 0 FGADHM Cc1nn(-c2ccccc2)c(C)c1NCc1ccc(-c2nn[n-]n2)cc1F ZINC000822486513 607479653 /nfs/dbraw/zinc/47/96/53/607479653.db2.gz MMJGRSJLOPXIEJ-UHFFFAOYSA-N -1 3 363.400 3.420 20 0 FGADHM C[C@@H](c1ccccc1Br)N(C)Cc1ccnc(-c2nnn[n-]2)c1 ZINC000824770267 607490534 /nfs/dbraw/zinc/49/05/34/607490534.db2.gz HSDRKZPEGRONJP-NSHDSACASA-N -1 3 373.258 3.217 20 0 FGADHM C[C@H](C(=O)[O-])[C@H](NCC(=O)N1CCSc2ccccc21)c1ccccc1 ZINC000826045729 601203364 /nfs/dbraw/zinc/20/33/64/601203364.db2.gz XZLBQZFBCDJVEU-LIRRHRJNSA-N -1 3 370.474 3.177 20 0 FGADHM COc1ccc(CCCN(C)Cn2nc(C(=O)[O-])c3ccccc32)cc1 ZINC000832299908 601397849 /nfs/dbraw/zinc/39/78/49/601397849.db2.gz PGVUPACOUIJBKN-UHFFFAOYSA-N -1 3 353.422 3.265 20 0 FGADHM Cc1ccc2cc(C(=O)OCc3cc(F)ccc3-c3nnn[n-]3)ccc2n1 ZINC000822279885 607506102 /nfs/dbraw/zinc/50/61/02/607506102.db2.gz FFFRHZMVVDYYDU-UHFFFAOYSA-N -1 3 363.352 3.219 20 0 FGADHM Cc1ccc2cc(C(=O)OCc3cc(F)ccc3-c3nn[n-]n3)ccc2n1 ZINC000822279885 607506104 /nfs/dbraw/zinc/50/61/04/607506104.db2.gz FFFRHZMVVDYYDU-UHFFFAOYSA-N -1 3 363.352 3.219 20 0 FGADHM CCc1oc(C(=O)[O-])cc1CN1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000830369150 601420539 /nfs/dbraw/zinc/42/05/39/601420539.db2.gz KMYLRGMYERSHPQ-JSGCOSHPSA-N -1 3 366.458 3.275 20 0 FGADHM CC1(C)CCC[C@@H]1N(CC(=O)N1CCC(C(=O)[O-])CC1)Cc1ccccc1 ZINC000828060594 601425961 /nfs/dbraw/zinc/42/59/61/601425961.db2.gz WTZJAPNUBKNJAQ-IBGZPJMESA-N -1 3 372.509 3.391 20 0 FGADHM CCCCn1ncc(NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1C ZINC000825300957 607509239 /nfs/dbraw/zinc/50/92/39/607509239.db2.gz GEUGRWMRDMABDU-LBPRGKRZSA-N -1 3 368.445 3.054 20 0 FGADHM CCCCn1ncc(NC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1C ZINC000825300957 607509240 /nfs/dbraw/zinc/50/92/40/607509240.db2.gz GEUGRWMRDMABDU-LBPRGKRZSA-N -1 3 368.445 3.054 20 0 FGADHM Cc1sc(C(=O)[O-])cc1CN1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000833032666 601616588 /nfs/dbraw/zinc/61/65/88/601616588.db2.gz LBNRVUXJFYREEK-UHFFFAOYSA-N -1 3 374.462 3.311 20 0 FGADHM COC(=O)c1ccc(CN(CC(=O)[O-])Cc2ccc(Cl)cc2)cc1F ZINC000831379699 601620990 /nfs/dbraw/zinc/62/09/90/601620990.db2.gz UQYGPYOQONUZNN-UHFFFAOYSA-N -1 3 365.788 3.353 20 0 FGADHM C[C@@H](C(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1)N1CCCCCC1 ZINC000826009262 601622390 /nfs/dbraw/zinc/62/23/90/601622390.db2.gz VCWZCFGUYSZPDJ-BBRMVZONSA-N -1 3 352.862 3.237 20 0 FGADHM CCOc1ccccc1NC(=O)CN[C@@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000830109748 601655725 /nfs/dbraw/zinc/65/57/25/601655725.db2.gz LEOALTIPSPQXGD-IFXJQAMLSA-N -1 3 356.422 3.075 20 0 FGADHM COc1ccc(CN2CCc3[nH]c4ccc(C)cc4c3C2)cc1-c1nnn[n-]1 ZINC000826195464 607519836 /nfs/dbraw/zinc/51/98/36/607519836.db2.gz VLYKOHCXEYZNJH-UHFFFAOYSA-N -1 3 374.448 3.223 20 0 FGADHM COc1ccc(CN2CCc3[nH]c4ccc(C)cc4c3C2)cc1-c1nn[n-]n1 ZINC000826195464 607519837 /nfs/dbraw/zinc/51/98/37/607519837.db2.gz VLYKOHCXEYZNJH-UHFFFAOYSA-N -1 3 374.448 3.223 20 0 FGADHM CN(C)CCN(Cc1cccs1)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000820539449 601718529 /nfs/dbraw/zinc/71/85/29/601718529.db2.gz OXARSYDPNAPSMC-UHFFFAOYSA-N -1 3 365.430 3.181 20 0 FGADHM Fc1ccc([C@@H]2CCCCN2Cc2ccnc(-c3nnn[n-]3)c2)c(F)c1 ZINC000826374062 607524396 /nfs/dbraw/zinc/52/43/96/607524396.db2.gz KBZWGNOYNMCIPK-KRWDZBQOSA-N -1 3 356.380 3.267 20 0 FGADHM Fc1ccc([C@@H]2CCCCN2Cc2ccnc(-c3nn[n-]n3)c2)c(F)c1 ZINC000826374062 607524397 /nfs/dbraw/zinc/52/43/97/607524397.db2.gz KBZWGNOYNMCIPK-KRWDZBQOSA-N -1 3 356.380 3.267 20 0 FGADHM COc1sc(C=Cc2ccc(-c3nnn[n-]3)cn2)cc1Br ZINC000826221934 607528647 /nfs/dbraw/zinc/52/86/47/607528647.db2.gz BAZIRMKMGPHRFF-SNAWJCMRSA-N -1 3 364.228 3.265 20 0 FGADHM COc1sc(C=Cc2ccc(-c3nn[n-]n3)cn2)cc1Br ZINC000826221934 607528648 /nfs/dbraw/zinc/52/86/48/607528648.db2.gz BAZIRMKMGPHRFF-SNAWJCMRSA-N -1 3 364.228 3.265 20 0 FGADHM O=C([O-])CCC1CCN(Cc2cccc(C(=O)NCc3ccco3)c2)CC1 ZINC000833225191 601840408 /nfs/dbraw/zinc/84/04/08/601840408.db2.gz AGWWCIMSEUYJSZ-UHFFFAOYSA-N -1 3 370.449 3.286 20 0 FGADHM CCN(C(=O)CN1CCC(CCC(=O)[O-])CC1)[C@@H](C)c1ccc(F)cc1 ZINC000662218650 601845328 /nfs/dbraw/zinc/84/53/28/601845328.db2.gz QIIRIUPFZJOQCT-HNNXBMFYSA-N -1 3 364.461 3.312 20 0 FGADHM CN(C[C@H](O)c1cccc(F)c1)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830713081 601900800 /nfs/dbraw/zinc/90/08/00/601900800.db2.gz ALQDYQHKTNXBHG-HOCLYGCPSA-N -1 3 357.303 3.034 20 0 FGADHM CCOc1ccc(CN[C@H](C(=O)[O-])c2cc(OC)cc(OC)c2)cc1F ZINC000830075453 602171318 /nfs/dbraw/zinc/17/13/18/602171318.db2.gz VURDUSBRZCIKRM-SFHVURJKSA-N -1 3 363.385 3.157 20 0 FGADHM CC(C)CONC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000824272305 607552289 /nfs/dbraw/zinc/55/22/89/607552289.db2.gz VTONJNZWOJQHHE-UHFFFAOYSA-N -1 3 369.450 3.335 20 0 FGADHM CC(C)CONC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000824272305 607552290 /nfs/dbraw/zinc/55/22/90/607552290.db2.gz VTONJNZWOJQHHE-UHFFFAOYSA-N -1 3 369.450 3.335 20 0 FGADHM C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(Cc2occc2C(=O)[O-])C1 ZINC000827686442 602244482 /nfs/dbraw/zinc/24/44/82/602244482.db2.gz BHIAPTREZSMDKI-CHWSQXEVSA-N -1 3 352.431 3.103 20 0 FGADHM O=C([O-])N[C@@H](C(=O)NC[C@@H](c1cccs1)N1CCCC1)c1ccccc1 ZINC000740686769 602351846 /nfs/dbraw/zinc/35/18/46/602351846.db2.gz GKZPVETVBRQAJU-DOTOQJQBSA-N -1 3 373.478 3.010 20 0 FGADHM O=C([O-])c1ccc(NC(=O)N[C@@H](CN2CCCC2)c2ccccc2)cc1F ZINC000833154939 602376276 /nfs/dbraw/zinc/37/62/76/602376276.db2.gz SMXGUEMVTLLQBJ-SFHVURJKSA-N -1 3 371.412 3.483 20 0 FGADHM CCn1c(C)cc2c1CCC[C@@H]2NC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000825782721 607564483 /nfs/dbraw/zinc/56/44/83/607564483.db2.gz MYTLZXQFIIHCGA-INIZCTEOSA-N -1 3 365.441 3.196 20 0 FGADHM CCn1c(C)cc2c1CCC[C@@H]2NC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000825782721 607564485 /nfs/dbraw/zinc/56/44/85/607564485.db2.gz MYTLZXQFIIHCGA-INIZCTEOSA-N -1 3 365.441 3.196 20 0 FGADHM CCCC[C@H](CCC)NC(=O)NCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000825261372 607566962 /nfs/dbraw/zinc/56/69/62/607566962.db2.gz YCILQPUOOCXEKE-AWEZNQCLSA-N -1 3 360.462 3.033 20 0 FGADHM CCCC[C@H](CCC)NC(=O)NCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000825261372 607566963 /nfs/dbraw/zinc/56/69/63/607566963.db2.gz YCILQPUOOCXEKE-AWEZNQCLSA-N -1 3 360.462 3.033 20 0 FGADHM Cc1cc2oc(=O)cc(CN3CCC([C@@H](C)NC(=O)[O-])CC3)c2cc1C ZINC000740098448 602445148 /nfs/dbraw/zinc/44/51/48/602445148.db2.gz YEUMRFAZOXAYLQ-CQSZACIVSA-N -1 3 358.438 3.278 20 0 FGADHM CC(C)CN(C(=O)c1ccc(F)c(NC(=O)[O-])c1)C1CCN(C)CC1 ZINC000738821185 602548619 /nfs/dbraw/zinc/54/86/19/602548619.db2.gz POZUEOIMFQMKNW-UHFFFAOYSA-N -1 3 351.422 3.108 20 0 FGADHM CC[C@@H](SC)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@@H](C)C2 ZINC000825158917 607573885 /nfs/dbraw/zinc/57/38/85/607573885.db2.gz DROXQRLBWAVOOP-PSASIEDQSA-N -1 3 351.501 3.133 20 0 FGADHM CC[C@@H](SC)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@@H](C)C2 ZINC000825158917 607573886 /nfs/dbraw/zinc/57/38/86/607573886.db2.gz DROXQRLBWAVOOP-PSASIEDQSA-N -1 3 351.501 3.133 20 0 FGADHM O=C([O-])N1CCC[C@H](CN2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)C1 ZINC000740512065 602704211 /nfs/dbraw/zinc/70/42/11/602704211.db2.gz NBHVEGNALQGVAZ-MXWKQRLJSA-N -1 3 362.314 3.439 20 0 FGADHM CC[C@@H](SC)C(=O)N(Cc1ccco1)c1ccccc1-c1nnn[n-]1 ZINC000825159676 607577833 /nfs/dbraw/zinc/57/78/33/607577833.db2.gz RMVBHOXCRZMCDO-OAHLLOKOSA-N -1 3 357.439 3.135 20 0 FGADHM CC[C@@H](SC)C(=O)N(Cc1ccco1)c1ccccc1-c1nn[n-]n1 ZINC000825159676 607577835 /nfs/dbraw/zinc/57/78/35/607577835.db2.gz RMVBHOXCRZMCDO-OAHLLOKOSA-N -1 3 357.439 3.135 20 0 FGADHM CN(C)[C@@H](CNC(=O)Nc1cc(NC(=O)[O-])ccc1F)Cc1ccccc1 ZINC000739606670 603042802 /nfs/dbraw/zinc/04/28/02/603042802.db2.gz FZKCQGAVMNWOKY-OAHLLOKOSA-N -1 3 374.416 3.210 20 0 FGADHM COc1cccc(Oc2ncccc2CNC[C@@H]2CCCN2C(=O)[O-])c1 ZINC000739956974 603073505 /nfs/dbraw/zinc/07/35/05/603073505.db2.gz SUDZMBKKGMZBCB-HNNXBMFYSA-N -1 3 357.410 3.115 20 0 FGADHM COc1ccc(COC(=O)[C@@H](SC)c2ccccc2)cc1-c1nnn[n-]1 ZINC000826204187 607609143 /nfs/dbraw/zinc/60/91/43/607609143.db2.gz AWYVJKABPHCGOE-INIZCTEOSA-N -1 3 370.434 3.023 20 0 FGADHM COc1ccc(COC(=O)[C@@H](SC)c2ccccc2)cc1-c1nn[n-]n1 ZINC000826204187 607609144 /nfs/dbraw/zinc/60/91/44/607609144.db2.gz AWYVJKABPHCGOE-INIZCTEOSA-N -1 3 370.434 3.023 20 0 FGADHM C[C@@H](C(=O)Nc1cccc(CN(C)C)c1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823712912 603316731 /nfs/dbraw/zinc/31/67/31/603316731.db2.gz LOCJZIOQPKKCOD-RDTXWAMCSA-N -1 3 355.438 3.332 20 0 FGADHM O=C([O-])NC[C@@H]1CCCCN1CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000740621288 603409825 /nfs/dbraw/zinc/40/98/25/603409825.db2.gz BZYIEHJCJITEIJ-AWEZNQCLSA-N -1 3 364.833 3.055 20 0 FGADHM O=C([O-])N[C@@H]1CCN(CCC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000832386886 603559626 /nfs/dbraw/zinc/55/96/26/603559626.db2.gz QVRIAGQHWRJICL-MRXNPFEDSA-N -1 3 369.421 3.149 20 0 FGADHM COc1cc(Cl)c(C)cc1NC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000826179996 607647809 /nfs/dbraw/zinc/64/78/09/607647809.db2.gz OJCMTUYLGWLQLH-UHFFFAOYSA-N -1 3 357.801 3.398 20 0 FGADHM COc1cc(Cl)c(C)cc1NC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000826179996 607647811 /nfs/dbraw/zinc/64/78/11/607647811.db2.gz OJCMTUYLGWLQLH-UHFFFAOYSA-N -1 3 357.801 3.398 20 0 FGADHM CN(C)C(=O)Sc1ccc(CN2CCC[C@H](CN(C)C(=O)[O-])C2)cc1 ZINC000827974832 603734689 /nfs/dbraw/zinc/73/46/89/603734689.db2.gz GXJQNMRFSMIQPA-OAHLLOKOSA-N -1 3 365.499 3.282 20 0 FGADHM CCCCn1c(C)c(C)nc1SCC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825296601 607656031 /nfs/dbraw/zinc/65/60/31/607656031.db2.gz PXRFSJGOCXSONY-UHFFFAOYSA-N -1 3 370.482 3.455 20 0 FGADHM CCCCn1c(C)c(C)nc1SCC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825296601 607656032 /nfs/dbraw/zinc/65/60/32/607656032.db2.gz PXRFSJGOCXSONY-UHFFFAOYSA-N -1 3 370.482 3.455 20 0 FGADHM CCN(Cc1ccc(Cl)cc1)C(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000825435370 607659859 /nfs/dbraw/zinc/65/98/59/607659859.db2.gz VRVWWYYMZWXBJI-UHFFFAOYSA-N -1 3 355.829 3.491 20 0 FGADHM CCN(Cc1ccc(Cl)cc1)C(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000825435370 607659860 /nfs/dbraw/zinc/65/98/60/607659860.db2.gz VRVWWYYMZWXBJI-UHFFFAOYSA-N -1 3 355.829 3.491 20 0 FGADHM Cc1ccc(CN(C)C)cc1NC(=O)[C@H](CNC(=O)[O-])c1ccccc1 ZINC000830307246 604083817 /nfs/dbraw/zinc/08/38/17/604083817.db2.gz AJABWOKUNGSHHX-QGZVFWFLSA-N -1 3 355.438 3.047 20 0 FGADHM COCCN(C(=O)c1ccc(-c2nnn[n-]2)cc1C)[C@@H](C)c1ccccc1 ZINC000826157183 607674580 /nfs/dbraw/zinc/67/45/80/607674580.db2.gz KTZLKYRHMZKFRO-HNNXBMFYSA-N -1 3 365.437 3.025 20 0 FGADHM COCCN(C(=O)c1ccc(-c2nn[n-]n2)cc1C)[C@@H](C)c1ccccc1 ZINC000826157183 607674583 /nfs/dbraw/zinc/67/45/83/607674583.db2.gz KTZLKYRHMZKFRO-HNNXBMFYSA-N -1 3 365.437 3.025 20 0 FGADHM CCOc1ccccc1[C@@H](CC)NC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000825654144 607679699 /nfs/dbraw/zinc/67/96/99/607679699.db2.gz PLWNDBSBLLFNSF-QGZVFWFLSA-N -1 3 365.437 3.455 20 0 FGADHM CCOc1ccccc1[C@@H](CC)NC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000825654144 607679702 /nfs/dbraw/zinc/67/97/02/607679702.db2.gz PLWNDBSBLLFNSF-QGZVFWFLSA-N -1 3 365.437 3.455 20 0 FGADHM CCN(CC)[C@H](CNC(=O)c1c(C)[nH]c(C(=O)[O-])c1C)c1ccsc1 ZINC000829666331 604282770 /nfs/dbraw/zinc/28/27/70/604282770.db2.gz COUWXYFVKULJFL-CQSZACIVSA-N -1 3 363.483 3.204 20 0 FGADHM O=C([O-])N1CCC[C@@H](N[C@@H]2CCCOc3c(Br)cccc32)C1 ZINC000833278786 604288245 /nfs/dbraw/zinc/28/82/45/604288245.db2.gz IPCKMKUCQZDEMR-BXUZGUMPSA-N -1 3 369.259 3.395 20 0 FGADHM CN(C)Cc1cccc(C(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])c1 ZINC000830620651 604383454 /nfs/dbraw/zinc/38/34/54/604383454.db2.gz ZTCFQAUFKPHYGE-SFHVURJKSA-N -1 3 354.450 3.330 20 0 FGADHM Cc1cc([C@H](C)N2CCC[C@H](C(=O)Nc3ccc(C)cn3)C2)oc1C(=O)[O-] ZINC000832940646 604385166 /nfs/dbraw/zinc/38/51/66/604385166.db2.gz BHVGLOAPFHCGNC-GJZGRUSLSA-N -1 3 371.437 3.401 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCC[C@@](C)(c2ccccc2)C1 ZINC000826245258 607689703 /nfs/dbraw/zinc/68/97/03/607689703.db2.gz SHKRTJYMJWCVRG-OAQYLSRUSA-N -1 3 361.449 3.369 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCC[C@@](C)(c2ccccc2)C1 ZINC000826245258 607689704 /nfs/dbraw/zinc/68/97/04/607689704.db2.gz SHKRTJYMJWCVRG-OAQYLSRUSA-N -1 3 361.449 3.369 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CC[C@H](Cc2ccccc2)[C@@H]1C ZINC000826243966 607700252 /nfs/dbraw/zinc/70/02/52/607700252.db2.gz CAKSQKPZCVJYEB-DOTOQJQBSA-N -1 3 361.449 3.268 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CC[C@H](Cc2ccccc2)[C@@H]1C ZINC000826243966 607700253 /nfs/dbraw/zinc/70/02/53/607700253.db2.gz CAKSQKPZCVJYEB-DOTOQJQBSA-N -1 3 361.449 3.268 20 0 FGADHM CC[C@H](CC(=O)N(C)c1cccc(-c2nnn[n-]2)c1)c1ccc(OC)cc1 ZINC000825081233 607706870 /nfs/dbraw/zinc/70/68/70/607706870.db2.gz HSDKOVWIZVEVNR-CQSZACIVSA-N -1 3 365.437 3.422 20 0 FGADHM CC[C@H](CC(=O)N(C)c1cccc(-c2nn[n-]n2)c1)c1ccc(OC)cc1 ZINC000825081233 607706872 /nfs/dbraw/zinc/70/68/72/607706872.db2.gz HSDKOVWIZVEVNR-CQSZACIVSA-N -1 3 365.437 3.422 20 0 FGADHM C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1Cc1ccc(C(=O)[O-])cc1F ZINC000833594644 604767533 /nfs/dbraw/zinc/76/75/33/604767533.db2.gz FHPMSQDNUOXSPU-OLZOCXBDSA-N -1 3 366.433 3.259 20 0 FGADHM C[C@H]1Cc2ccccc2N1C1CCN([C@H](C(=O)[O-])c2cccnc2)CC1 ZINC000833634512 604923264 /nfs/dbraw/zinc/92/32/64/604923264.db2.gz MLDOSYULOGGQQM-YWZLYKJASA-N -1 3 351.450 3.123 20 0 FGADHM CCOCCC1(CNc2c(-c3nnn[n-]3)cnc3c(C)cc(C)cc32)CC1 ZINC000825590632 607729230 /nfs/dbraw/zinc/72/92/30/607729230.db2.gz YPKXJQQCGFIQNZ-UHFFFAOYSA-N -1 3 366.469 3.072 20 0 FGADHM CCOCCC1(CNc2c(-c3nn[n-]n3)cnc3c(C)cc(C)cc32)CC1 ZINC000825590632 607729232 /nfs/dbraw/zinc/72/92/32/607729232.db2.gz YPKXJQQCGFIQNZ-UHFFFAOYSA-N -1 3 366.469 3.072 20 0 FGADHM C[C@H](C[C@@H](O)c1cccs1)Nc1c(F)cc(-c2nnn[n-]2)cc1F ZINC000824390395 607732189 /nfs/dbraw/zinc/73/21/89/607732189.db2.gz AEACFYUCXBCYEM-PRHODGIISA-N -1 3 351.382 3.131 20 0 FGADHM C[C@H](C[C@@H](O)c1cccs1)Nc1c(F)cc(-c2nn[n-]n2)cc1F ZINC000824390395 607732191 /nfs/dbraw/zinc/73/21/91/607732191.db2.gz AEACFYUCXBCYEM-PRHODGIISA-N -1 3 351.382 3.131 20 0 FGADHM CCc1ccc(C(C)(C)NCC(=O)NCc2ccc(NC(=O)[O-])cc2)cc1 ZINC000833670102 605145803 /nfs/dbraw/zinc/14/58/03/605145803.db2.gz KHZPTDNZSDLVEH-UHFFFAOYSA-N -1 3 369.465 3.480 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1N1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000826372193 607737087 /nfs/dbraw/zinc/73/70/87/607737087.db2.gz LXHNRBPNKCXIKW-GFCCVEGCSA-N -1 3 359.792 3.317 20 0 FGADHM CC1CCC(N(C)C(=O)CN[C@H](c2ccccc2)C(C)(C)C(=O)[O-])CC1 ZINC000833605252 605183792 /nfs/dbraw/zinc/18/37/92/605183792.db2.gz YIJIEMIYSKVIDV-GXOAENINSA-N -1 3 360.498 3.465 20 0 FGADHM CCc1ccc([C@H]2CCCCCN2C(=O)c2ccc(-c3nnn[n-]3)[nH]2)o1 ZINC000825704835 607741196 /nfs/dbraw/zinc/74/11/96/607741196.db2.gz NZWQMZDONWVXEF-OAHLLOKOSA-N -1 3 354.414 3.108 20 0 FGADHM CCc1ccc([C@H]2CCCCCN2C(=O)c2ccc(-c3nn[n-]n3)[nH]2)o1 ZINC000825704835 607741197 /nfs/dbraw/zinc/74/11/97/607741197.db2.gz NZWQMZDONWVXEF-OAHLLOKOSA-N -1 3 354.414 3.108 20 0 FGADHM O=C([O-])N(CC(=O)NC[C@H](c1cccs1)N1CCCC1)c1ccccc1 ZINC000831446783 605239507 /nfs/dbraw/zinc/23/95/07/605239507.db2.gz VZKLQUDIXDYAOT-MRXNPFEDSA-N -1 3 373.478 3.186 20 0 FGADHM O=C(NC1(c2cccc(Cl)c2)CCCC1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826429006 607754505 /nfs/dbraw/zinc/75/45/05/607754505.db2.gz RDPUDLWXSJAIMH-UHFFFAOYSA-N -1 3 356.817 3.048 20 0 FGADHM O=C(NC1(c2cccc(Cl)c2)CCCC1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826429006 607754506 /nfs/dbraw/zinc/75/45/06/607754506.db2.gz RDPUDLWXSJAIMH-UHFFFAOYSA-N -1 3 356.817 3.048 20 0 FGADHM O=C([O-])N[C@@H]1CCC[C@H]2CN(Cc3ncc(-c4cccc(F)c4)o3)C[C@H]21 ZINC000834184074 605451451 /nfs/dbraw/zinc/45/14/51/605451451.db2.gz QMDKODLPOOZZCQ-NUEKZKHPSA-N -1 3 359.401 3.349 20 0 FGADHM O=C([O-])NC[C@H]1CCCN(Cc2ccccc2OCc2cccnc2)C1 ZINC000834214259 605554323 /nfs/dbraw/zinc/55/43/23/605554323.db2.gz GIGOPNKAEXEVEZ-MRXNPFEDSA-N -1 3 355.438 3.140 20 0 FGADHM Cc1cc(C(=O)N(CCc2ccccc2)CCN(C)C)ccc1NC(=O)[O-] ZINC000829919420 605619888 /nfs/dbraw/zinc/61/98/88/605619888.db2.gz KHJFVAHKCXWKJW-UHFFFAOYSA-N -1 3 369.465 3.331 20 0 FGADHM O=C([O-])N1CC[C@]2(C1)C[C@H](NCCNc1ccccc1)c1ccccc1O2 ZINC000834088873 605640346 /nfs/dbraw/zinc/64/03/46/605640346.db2.gz ZPSUTSSOKWSPBG-GHTZIAJQSA-N -1 3 367.449 3.334 20 0 FGADHM O=C([O-])NC1CCC(N[C@@H](CCO)c2ccccc2Br)CC1 ZINC000834163629 605915935 /nfs/dbraw/zinc/91/59/35/605915935.db2.gz BYBIARBTSRLJJT-QOZQQMKHSA-N -1 3 371.275 3.041 20 0 FGADHM Cc1nc(-c2ccc(CCNc3ccc(-c4nnn[n-]4)nc3)cc2)cs1 ZINC000822419711 606031700 /nfs/dbraw/zinc/03/17/00/606031700.db2.gz SQAIWLSJLPJJGX-UHFFFAOYSA-N -1 3 363.450 3.348 20 0 FGADHM Cc1nc(-c2ccc(CCNc3ccc(-c4nn[n-]n4)nc3)cc2)cs1 ZINC000822419711 606031706 /nfs/dbraw/zinc/03/17/06/606031706.db2.gz SQAIWLSJLPJJGX-UHFFFAOYSA-N -1 3 363.450 3.348 20 0 FGADHM O=C([O-])N[C@@H]1C[C@@H](NCc2ccc(N3CCOC3=O)cc2)c2ccccc21 ZINC000834158703 606053117 /nfs/dbraw/zinc/05/31/17/606053117.db2.gz OXRURHNODRADBH-QZTJIDSGSA-N -1 3 367.405 3.187 20 0 FGADHM CCc1nccn1[C@@H]1CCCN(c2nc3ccccc3cc2-c2nnn[n-]2)C1 ZINC000821517245 606078717 /nfs/dbraw/zinc/07/87/17/606078717.db2.gz HXHIYZNWUKPGIE-OAHLLOKOSA-N -1 3 374.452 3.015 20 0 FGADHM CCc1nccn1[C@@H]1CCCN(c2nc3ccccc3cc2-c2nn[n-]n2)C1 ZINC000821517245 606078723 /nfs/dbraw/zinc/07/87/23/606078723.db2.gz HXHIYZNWUKPGIE-OAHLLOKOSA-N -1 3 374.452 3.015 20 0 FGADHM Cc1csc(C2(NCc3cc(-c4nn[n-]n4)ccc3F)CCCC2)n1 ZINC000822408612 606093825 /nfs/dbraw/zinc/09/38/25/606093825.db2.gz FQGOWAYQYZESFQ-UHFFFAOYSA-N -1 3 358.446 3.330 20 0 FGADHM CSCc1cc(C(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)ccc1F ZINC000821971230 606108548 /nfs/dbraw/zinc/10/85/48/606108548.db2.gz ZFHCAMZVLPISNY-UHFFFAOYSA-N -1 3 371.441 3.141 20 0 FGADHM CSCc1cc(C(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)ccc1F ZINC000821971230 606108550 /nfs/dbraw/zinc/10/85/50/606108550.db2.gz ZFHCAMZVLPISNY-UHFFFAOYSA-N -1 3 371.441 3.141 20 0 FGADHM C[C@H]1CCN(C(=O)c2cccc(-c3nnn[n-]3)c2)[C@H]1c1cccc(F)c1 ZINC000820716587 606109711 /nfs/dbraw/zinc/10/97/11/606109711.db2.gz JVBKIWUWXGHZGL-YVEFUNNKSA-N -1 3 351.385 3.229 20 0 FGADHM C[C@H]1CCN(C(=O)c2cccc(-c3nn[n-]n3)c2)[C@H]1c1cccc(F)c1 ZINC000820716587 606109714 /nfs/dbraw/zinc/10/97/14/606109714.db2.gz JVBKIWUWXGHZGL-YVEFUNNKSA-N -1 3 351.385 3.229 20 0 FGADHM C[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)cc2)[C@H]1c1cccc(F)c1 ZINC000820716710 606109929 /nfs/dbraw/zinc/10/99/29/606109929.db2.gz KMLWPRMGVQXJMG-YVEFUNNKSA-N -1 3 351.385 3.229 20 0 FGADHM C[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)cc2)[C@H]1c1cccc(F)c1 ZINC000820716710 606109930 /nfs/dbraw/zinc/10/99/30/606109930.db2.gz KMLWPRMGVQXJMG-YVEFUNNKSA-N -1 3 351.385 3.229 20 0 FGADHM C[C@H](C(=O)NCc1cc(-c2nnn[n-]2)ccc1F)c1ccc(Cl)s1 ZINC000819866366 606112991 /nfs/dbraw/zinc/11/29/91/606112991.db2.gz LZISCPCBAKSMFE-QMMMGPOBSA-N -1 3 365.821 3.141 20 0 FGADHM C[C@H](C(=O)NCc1cc(-c2nn[n-]n2)ccc1F)c1ccc(Cl)s1 ZINC000819866366 606112992 /nfs/dbraw/zinc/11/29/92/606112992.db2.gz LZISCPCBAKSMFE-QMMMGPOBSA-N -1 3 365.821 3.141 20 0 FGADHM COc1ccccc1[C@@H]1CCCN1c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821891140 606124590 /nfs/dbraw/zinc/12/45/90/606124590.db2.gz WJWQSHYQELULHX-HNNXBMFYSA-N -1 3 357.364 3.495 20 0 FGADHM COc1ccccc1[C@@H]1CCCN1c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821891140 606124592 /nfs/dbraw/zinc/12/45/92/606124592.db2.gz WJWQSHYQELULHX-HNNXBMFYSA-N -1 3 357.364 3.495 20 0 FGADHM Cc1csc([C@H](OC(=O)c2cccc(-c3nnn[n-]3)c2)C(F)(F)F)n1 ZINC000822410211 606127781 /nfs/dbraw/zinc/12/77/81/606127781.db2.gz ZTSVBLWQAKOJGU-JTQLQIEISA-N -1 3 369.328 3.092 20 0 FGADHM Cc1csc([C@H](OC(=O)c2cccc(-c3nn[n-]n3)c2)C(F)(F)F)n1 ZINC000822410211 606127782 /nfs/dbraw/zinc/12/77/82/606127782.db2.gz ZTSVBLWQAKOJGU-JTQLQIEISA-N -1 3 369.328 3.092 20 0 FGADHM Nc1cc(Cl)c(Cl)c(C(=O)OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822907406 606131461 /nfs/dbraw/zinc/13/14/61/606131461.db2.gz LOLJXJLQMLFIHZ-UHFFFAOYSA-N -1 3 364.192 3.113 20 0 FGADHM Nc1cc(Cl)c(Cl)c(C(=O)OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822907406 606131462 /nfs/dbraw/zinc/13/14/62/606131462.db2.gz LOLJXJLQMLFIHZ-UHFFFAOYSA-N -1 3 364.192 3.113 20 0 FGADHM CC[C@H](Oc1cccc(C)c1)C(=O)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000820937839 606140468 /nfs/dbraw/zinc/14/04/68/606140468.db2.gz DSUYUVDLKILIAW-KRWDZBQOSA-N -1 3 352.394 3.076 20 0 FGADHM CC[C@H](Oc1cccc(C)c1)C(=O)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000820937839 606140469 /nfs/dbraw/zinc/14/04/69/606140469.db2.gz DSUYUVDLKILIAW-KRWDZBQOSA-N -1 3 352.394 3.076 20 0 FGADHM CC1(C)CCN1C(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000820601513 606151718 /nfs/dbraw/zinc/15/17/18/606151718.db2.gz NFZRPIHOPKSHGS-UHFFFAOYSA-N -1 3 363.421 3.070 20 0 FGADHM CC1(C)CCN1C(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000820601513 606151719 /nfs/dbraw/zinc/15/17/19/606151719.db2.gz NFZRPIHOPKSHGS-UHFFFAOYSA-N -1 3 363.421 3.070 20 0 FGADHM CO[C@@H](C)c1nc(CSc2nc(C)cc(C)c2-c2nnn[n-]2)cs1 ZINC000821675365 606170886 /nfs/dbraw/zinc/17/08/86/606170886.db2.gz JSDLRXGRUREVGZ-JTQLQIEISA-N -1 3 362.484 3.335 20 0 FGADHM CO[C@@H](C)c1nc(CSc2nc(C)cc(C)c2-c2nn[n-]n2)cs1 ZINC000821675365 606170888 /nfs/dbraw/zinc/17/08/88/606170888.db2.gz JSDLRXGRUREVGZ-JTQLQIEISA-N -1 3 362.484 3.335 20 0 FGADHM CO[C@H](C)c1nc(CSc2ccc(-c3nnn[n-]3)cc2F)cs1 ZINC000821675041 606172189 /nfs/dbraw/zinc/17/21/89/606172189.db2.gz BPQUHGXQCIZDGL-MRVPVSSYSA-N -1 3 351.432 3.462 20 0 FGADHM CO[C@H](C)c1nc(CSc2ccc(-c3nn[n-]n3)cc2F)cs1 ZINC000821675041 606172191 /nfs/dbraw/zinc/17/21/91/606172191.db2.gz BPQUHGXQCIZDGL-MRVPVSSYSA-N -1 3 351.432 3.462 20 0 FGADHM NC(=NOCc1ccc(-c2nnn[n-]2)cc1F)c1cccc2ccccc21 ZINC000822846230 606177247 /nfs/dbraw/zinc/17/72/47/606177247.db2.gz QOUGGDSDQMPDBF-UHFFFAOYSA-N -1 3 362.368 3.206 20 0 FGADHM NC(=NOCc1ccc(-c2nn[n-]n2)cc1F)c1cccc2ccccc21 ZINC000822846230 606177250 /nfs/dbraw/zinc/17/72/50/606177250.db2.gz QOUGGDSDQMPDBF-UHFFFAOYSA-N -1 3 362.368 3.206 20 0 FGADHM C[C@@H]1CCC[C@@H](C)N1C(=O)CSCc1ccc(F)cc1-c1nnn[n-]1 ZINC000820697731 606179138 /nfs/dbraw/zinc/17/91/38/606179138.db2.gz LBJZKAWAVUUTJJ-VXGBXAGGSA-N -1 3 363.462 3.029 20 0 FGADHM C[C@@H]1CCC[C@@H](C)N1C(=O)CSCc1ccc(F)cc1-c1nn[n-]n1 ZINC000820697731 606179139 /nfs/dbraw/zinc/17/91/39/606179139.db2.gz LBJZKAWAVUUTJJ-VXGBXAGGSA-N -1 3 363.462 3.029 20 0 FGADHM C[C@H]1Sc2ccccc2N(C(=O)c2ccc(-c3nnn[n-]3)cc2)[C@H]1C ZINC000820821531 606189752 /nfs/dbraw/zinc/18/97/52/606189752.db2.gz UEEMDIVTHKGEPV-NWDGAFQWSA-N -1 3 351.435 3.396 20 0 FGADHM C[C@H]1Sc2ccccc2N(C(=O)c2ccc(-c3nn[n-]n3)cc2)[C@H]1C ZINC000820821531 606189753 /nfs/dbraw/zinc/18/97/53/606189753.db2.gz UEEMDIVTHKGEPV-NWDGAFQWSA-N -1 3 351.435 3.396 20 0 FGADHM C[C@H](OC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1)c1cnccn1 ZINC000820512873 606205665 /nfs/dbraw/zinc/20/56/65/606205665.db2.gz OREKBYULAJBOQA-ZDUSSCGKSA-N -1 3 372.388 3.242 20 0 FGADHM C[C@H](OC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1)c1cnccn1 ZINC000820512873 606205667 /nfs/dbraw/zinc/20/56/67/606205667.db2.gz OREKBYULAJBOQA-ZDUSSCGKSA-N -1 3 372.388 3.242 20 0 FGADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1ccccc1-c1cccs1 ZINC000822655406 606217376 /nfs/dbraw/zinc/21/73/76/606217376.db2.gz HQMICGOKHNTCHR-UHFFFAOYSA-N -1 3 350.407 3.186 20 0 FGADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1ccccc1-c1cccs1 ZINC000822655406 606217377 /nfs/dbraw/zinc/21/73/77/606217377.db2.gz HQMICGOKHNTCHR-UHFFFAOYSA-N -1 3 350.407 3.186 20 0 FGADHM O=C(Cc1coc2cc(F)ccc12)OCc1cc(-c2nnn[n-]2)ccc1F ZINC000823118601 606227827 /nfs/dbraw/zinc/22/78/27/606227827.db2.gz HUQLDESQJWFRDB-UHFFFAOYSA-N -1 3 370.315 3.177 20 0 FGADHM O=C(Cc1coc2cc(F)ccc12)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000823118601 606227830 /nfs/dbraw/zinc/22/78/30/606227830.db2.gz HUQLDESQJWFRDB-UHFFFAOYSA-N -1 3 370.315 3.177 20 0 FGADHM CCCc1ccc(N[C@@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)cc1 ZINC000821143818 606245113 /nfs/dbraw/zinc/24/51/13/606245113.db2.gz YLUBCNFJCKDXAJ-OAHLLOKOSA-N -1 3 368.466 3.098 20 0 FGADHM CCCc1ccc(N[C@@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)cc1 ZINC000821143818 606245114 /nfs/dbraw/zinc/24/51/14/606245114.db2.gz YLUBCNFJCKDXAJ-OAHLLOKOSA-N -1 3 368.466 3.098 20 0 FGADHM CCc1ccc([C@H]2CCCCCN2C(=O)c2cc(-c3nnn[n-]3)cn2C)o1 ZINC000821481017 606256007 /nfs/dbraw/zinc/25/60/07/606256007.db2.gz HITGRLXWYBLIOC-OAHLLOKOSA-N -1 3 368.441 3.118 20 0 FGADHM CCc1ccc([C@H]2CCCCCN2C(=O)c2cc(-c3nn[n-]n3)cn2C)o1 ZINC000821481017 606256009 /nfs/dbraw/zinc/25/60/09/606256009.db2.gz HITGRLXWYBLIOC-OAHLLOKOSA-N -1 3 368.441 3.118 20 0 FGADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CCC(c2cccc3ccccc32)CC1 ZINC000823460023 606266554 /nfs/dbraw/zinc/26/65/54/606266554.db2.gz GBQJXCSKEIAZMG-UHFFFAOYSA-N -1 3 372.432 3.368 20 0 FGADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CCC(c2cccc3ccccc32)CC1 ZINC000823460023 606266555 /nfs/dbraw/zinc/26/65/55/606266555.db2.gz GBQJXCSKEIAZMG-UHFFFAOYSA-N -1 3 372.432 3.368 20 0 FGADHM CC(C)OCc1ccc(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000820146359 606269631 /nfs/dbraw/zinc/26/96/31/606269631.db2.gz LVZRCJKZBKQREL-UHFFFAOYSA-N -1 3 355.373 3.183 20 0 FGADHM CC(C)OCc1ccc(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000820146359 606269633 /nfs/dbraw/zinc/26/96/33/606269633.db2.gz LVZRCJKZBKQREL-UHFFFAOYSA-N -1 3 355.373 3.183 20 0 FGADHM C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820549443 606271593 /nfs/dbraw/zinc/27/15/93/606271593.db2.gz MSPNGRMUWBVXGR-VIFPVBQESA-N -1 3 361.764 3.065 20 0 FGADHM C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820549443 606271594 /nfs/dbraw/zinc/27/15/94/606271594.db2.gz MSPNGRMUWBVXGR-VIFPVBQESA-N -1 3 361.764 3.065 20 0 FGADHM CC1(C)CN(C(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CCS1 ZINC000820601992 606296112 /nfs/dbraw/zinc/29/61/12/606296112.db2.gz XNPPKGXGYUGTGI-UHFFFAOYSA-N -1 3 368.919 3.044 20 0 FGADHM CC1(C)CN(C(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CCS1 ZINC000820601992 606296114 /nfs/dbraw/zinc/29/61/14/606296114.db2.gz XNPPKGXGYUGTGI-UHFFFAOYSA-N -1 3 368.919 3.044 20 0 FGADHM O=C(Nc1ccc(OC2CCC2)c(F)c1)c1sccc1-c1nnn[n-]1 ZINC000823350189 606311484 /nfs/dbraw/zinc/31/14/84/606311484.db2.gz COXKDEUBFGXHNY-UHFFFAOYSA-N -1 3 359.386 3.251 20 0 FGADHM O=C(Nc1ccc(OC2CCC2)c(F)c1)c1sccc1-c1nn[n-]n1 ZINC000823350189 606311486 /nfs/dbraw/zinc/31/14/86/606311486.db2.gz COXKDEUBFGXHNY-UHFFFAOYSA-N -1 3 359.386 3.251 20 0 FGADHM C[C@H](NC(=O)CSc1cccc(-c2nnn[n-]2)c1)c1ccccc1Cl ZINC000820335004 606323597 /nfs/dbraw/zinc/32/35/97/606323597.db2.gz SKFWATJCTAMYAZ-NSHDSACASA-N -1 3 373.869 3.490 20 0 FGADHM C[C@H](NC(=O)CSc1cccc(-c2nn[n-]n2)c1)c1ccccc1Cl ZINC000820335004 606323599 /nfs/dbraw/zinc/32/35/99/606323599.db2.gz SKFWATJCTAMYAZ-NSHDSACASA-N -1 3 373.869 3.490 20 0 FGADHM CCc1ccc([C@@H]2CCCCCN2C(=O)c2cc(-c3nnn[n-]3)c[nH]2)o1 ZINC000821480221 606324051 /nfs/dbraw/zinc/32/40/51/606324051.db2.gz ADLUJQHEZYQZTP-HNNXBMFYSA-N -1 3 354.414 3.108 20 0 FGADHM CCc1ccc([C@@H]2CCCCCN2C(=O)c2cc(-c3nn[n-]n3)c[nH]2)o1 ZINC000821480221 606324053 /nfs/dbraw/zinc/32/40/53/606324053.db2.gz ADLUJQHEZYQZTP-HNNXBMFYSA-N -1 3 354.414 3.108 20 0 FGADHM CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2cccc(-c3nnn[n-]3)c2)c1C ZINC000819834198 606326682 /nfs/dbraw/zinc/32/66/82/606326682.db2.gz OAJNVZAAUVRSKX-LBPRGKRZSA-N -1 3 369.450 3.378 20 0 FGADHM CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2cccc(-c3nn[n-]n3)c2)c1C ZINC000819834198 606326684 /nfs/dbraw/zinc/32/66/84/606326684.db2.gz OAJNVZAAUVRSKX-LBPRGKRZSA-N -1 3 369.450 3.378 20 0 FGADHM CC(C)COc1ncccc1C(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820103401 606345355 /nfs/dbraw/zinc/34/53/55/606345355.db2.gz XXJHWIONQRSVBU-ZDUSSCGKSA-N -1 3 367.409 3.215 20 0 FGADHM CC(C)COc1ncccc1C(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820103401 606345357 /nfs/dbraw/zinc/34/53/57/606345357.db2.gz XXJHWIONQRSVBU-ZDUSSCGKSA-N -1 3 367.409 3.215 20 0 FGADHM C[C@H](OC(=O)c1ncoc1-c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820518629 606350954 /nfs/dbraw/zinc/35/09/54/606350954.db2.gz HYULUMXOVKSDGZ-LBPRGKRZSA-N -1 3 361.361 3.440 20 0 FGADHM C[C@H](OC(=O)c1ncoc1-c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820518629 606350956 /nfs/dbraw/zinc/35/09/56/606350956.db2.gz HYULUMXOVKSDGZ-LBPRGKRZSA-N -1 3 361.361 3.440 20 0 FGADHM C[C@@H]1c2ccccc2CCN1C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820825778 606355825 /nfs/dbraw/zinc/35/58/25/606355825.db2.gz DCEBUDGCOPDBIA-LLVKDONJSA-N -1 3 352.373 3.157 20 0 FGADHM C[C@@H]1c2ccccc2CCN1C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820825778 606355827 /nfs/dbraw/zinc/35/58/27/606355827.db2.gz DCEBUDGCOPDBIA-LLVKDONJSA-N -1 3 352.373 3.157 20 0 FGADHM C[C@H](OC(=O)CSc1ccc(F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820495281 606357327 /nfs/dbraw/zinc/35/73/27/606357327.db2.gz GLYAYNLMSIEGAU-NSHDSACASA-N -1 3 358.398 3.402 20 0 FGADHM C[C@H](OC(=O)CSc1ccc(F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820495281 606357329 /nfs/dbraw/zinc/35/73/29/606357329.db2.gz GLYAYNLMSIEGAU-NSHDSACASA-N -1 3 358.398 3.402 20 0 FGADHM C[C@H](OC(=O)[C@H]1CCOc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000820488892 606359405 /nfs/dbraw/zinc/35/94/05/606359405.db2.gz WEXHCYXLLXEPBU-LRDDRELGSA-N -1 3 350.378 3.037 20 0 FGADHM C[C@H](OC(=O)[C@H]1CCOc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000820488892 606359406 /nfs/dbraw/zinc/35/94/06/606359406.db2.gz WEXHCYXLLXEPBU-LRDDRELGSA-N -1 3 350.378 3.037 20 0 FGADHM CS/C=C\C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000821956718 606361609 /nfs/dbraw/zinc/36/16/09/606361609.db2.gz WHIKLKVDSRBUED-KHPPLWFESA-N -1 3 353.407 3.474 20 0 FGADHM CS/C=C\C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000821956718 606361611 /nfs/dbraw/zinc/36/16/11/606361611.db2.gz WHIKLKVDSRBUED-KHPPLWFESA-N -1 3 353.407 3.474 20 0 FGADHM CC[C@@H](CNC(=O)c1cccc(-c2nnn[n-]2)c1)Oc1ccccc1Cl ZINC000820909409 606367591 /nfs/dbraw/zinc/36/75/91/606367591.db2.gz VSEZQFURUUNYKW-AWEZNQCLSA-N -1 3 371.828 3.108 20 0 FGADHM CC[C@@H](CNC(=O)c1cccc(-c2nn[n-]n2)c1)Oc1ccccc1Cl ZINC000820909409 606367592 /nfs/dbraw/zinc/36/75/92/606367592.db2.gz VSEZQFURUUNYKW-AWEZNQCLSA-N -1 3 371.828 3.108 20 0 FGADHM COC(=O)[C@@H](OC(=O)C[C@H](C)CC(C)(C)C)c1cccc(-c2nnn[n-]2)c1 ZINC000821646568 606371270 /nfs/dbraw/zinc/37/12/70/606371270.db2.gz KILHONVLLPFINW-LRDDRELGSA-N -1 3 374.441 3.086 20 0 FGADHM COC(=O)[C@@H](OC(=O)C[C@H](C)CC(C)(C)C)c1cccc(-c2nn[n-]n2)c1 ZINC000821646568 606371272 /nfs/dbraw/zinc/37/12/72/606371272.db2.gz KILHONVLLPFINW-LRDDRELGSA-N -1 3 374.441 3.086 20 0 FGADHM CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000820938433 606372161 /nfs/dbraw/zinc/37/21/61/606372161.db2.gz IPDYKEKPKMAMMB-CQSZACIVSA-N -1 3 357.801 3.316 20 0 FGADHM CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000820938433 606372163 /nfs/dbraw/zinc/37/21/63/606372163.db2.gz IPDYKEKPKMAMMB-CQSZACIVSA-N -1 3 357.801 3.316 20 0 FGADHM CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1sccc1-c1nnn[n-]1 ZINC000820939278 606372219 /nfs/dbraw/zinc/37/22/19/606372219.db2.gz SHVBTKIBCGGIBM-LLVKDONJSA-N -1 3 363.830 3.378 20 0 FGADHM CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1sccc1-c1nn[n-]n1 ZINC000820939278 606372220 /nfs/dbraw/zinc/37/22/20/606372220.db2.gz SHVBTKIBCGGIBM-LLVKDONJSA-N -1 3 363.830 3.378 20 0 FGADHM C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000820649233 606383080 /nfs/dbraw/zinc/38/30/80/606383080.db2.gz KAEGXYZZDKLSIJ-NHYWBVRUSA-N -1 3 360.437 3.020 20 0 FGADHM C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000820649233 606383083 /nfs/dbraw/zinc/38/30/83/606383083.db2.gz KAEGXYZZDKLSIJ-NHYWBVRUSA-N -1 3 360.437 3.020 20 0 FGADHM COc1cccc(C[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000821863785 606399852 /nfs/dbraw/zinc/39/98/52/606399852.db2.gz PCHQHDPMCYNZMP-OAHLLOKOSA-N -1 3 353.401 3.226 20 0 FGADHM COc1ccc(CCC(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)cc1 ZINC000821791005 606414571 /nfs/dbraw/zinc/41/45/71/606414571.db2.gz YZYFTHCGQFFHDR-UHFFFAOYSA-N -1 3 371.828 3.124 20 0 FGADHM COc1ccc(CCC(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)cc1 ZINC000821791005 606414573 /nfs/dbraw/zinc/41/45/73/606414573.db2.gz YZYFTHCGQFFHDR-UHFFFAOYSA-N -1 3 371.828 3.124 20 0 FGADHM CC(C)[C@H]1OCCC[C@@H]1CNc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000820045956 606426886 /nfs/dbraw/zinc/42/68/86/606426886.db2.gz OZIVMRKVKJDSJI-FZKQIMNGSA-N -1 3 352.442 3.278 20 0 FGADHM CC(C)[C@H]1OCCC[C@@H]1CNc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000820045956 606426888 /nfs/dbraw/zinc/42/68/88/606426888.db2.gz OZIVMRKVKJDSJI-FZKQIMNGSA-N -1 3 352.442 3.278 20 0 FGADHM CC(C)CNC(=O)c1ccccc1NCc1cc(-c2nnn[n-]2)ccc1F ZINC000820098497 606445730 /nfs/dbraw/zinc/44/57/30/606445730.db2.gz ZVQYRMKNCIXTGN-UHFFFAOYSA-N -1 3 368.416 3.004 20 0 FGADHM CC(C)CNC(=O)c1ccccc1NCc1cc(-c2nn[n-]n2)ccc1F ZINC000820098497 606445732 /nfs/dbraw/zinc/44/57/32/606445732.db2.gz ZVQYRMKNCIXTGN-UHFFFAOYSA-N -1 3 368.416 3.004 20 0 FGADHM Cc1cc(C(=O)NC(C)C)ccc1NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822167029 606450578 /nfs/dbraw/zinc/45/05/78/606450578.db2.gz ANXOMJIHKTZYJD-UHFFFAOYSA-N -1 3 368.416 3.065 20 0 FGADHM Cc1cc(C(=O)NC(C)C)ccc1NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822167029 606450580 /nfs/dbraw/zinc/45/05/80/606450580.db2.gz ANXOMJIHKTZYJD-UHFFFAOYSA-N -1 3 368.416 3.065 20 0 FGADHM C[C@@H](CCCOCc1ccccc1)OC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820243215 606465772 /nfs/dbraw/zinc/46/57/72/606465772.db2.gz YICBNKQWPXIKOS-ZDUSSCGKSA-N -1 3 372.450 3.471 20 0 FGADHM C[C@@H](CCCOCc1ccccc1)OC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820243215 606465773 /nfs/dbraw/zinc/46/57/73/606465773.db2.gz YICBNKQWPXIKOS-ZDUSSCGKSA-N -1 3 372.450 3.471 20 0 FGADHM O=C(Nc1cccc(OC(F)(F)F)c1)c1cc(-c2nnn[n-]2)cs1 ZINC000823367027 606488182 /nfs/dbraw/zinc/48/81/82/606488182.db2.gz DUZOLAWNJYTDSR-UHFFFAOYSA-N -1 3 355.301 3.079 20 0 FGADHM O=C(Nc1cccc(OC(F)(F)F)c1)c1cc(-c2nn[n-]n2)cs1 ZINC000823367027 606488183 /nfs/dbraw/zinc/48/81/83/606488183.db2.gz DUZOLAWNJYTDSR-UHFFFAOYSA-N -1 3 355.301 3.079 20 0 FGADHM CCN(C(=O)Cc1cccc(-c2nnn[n-]2)c1)c1nc2ccccc2s1 ZINC000821153420 606495179 /nfs/dbraw/zinc/49/51/79/606495179.db2.gz BTTVXDAZHBXVDD-UHFFFAOYSA-N -1 3 364.434 3.072 20 0 FGADHM CCN(C(=O)Cc1cccc(-c2nn[n-]n2)c1)c1nc2ccccc2s1 ZINC000821153420 606495180 /nfs/dbraw/zinc/49/51/80/606495180.db2.gz BTTVXDAZHBXVDD-UHFFFAOYSA-N -1 3 364.434 3.072 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000823092882 606495938 /nfs/dbraw/zinc/49/59/38/606495938.db2.gz NOYDTRVYYHCHSU-GOSISDBHSA-N -1 3 367.840 3.330 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000823092882 606495940 /nfs/dbraw/zinc/49/59/40/606495940.db2.gz NOYDTRVYYHCHSU-GOSISDBHSA-N -1 3 367.840 3.330 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1ccc2c3c(cccc31)CC2 ZINC000823108737 606499024 /nfs/dbraw/zinc/49/90/24/606499024.db2.gz QTHDJHGQANYRMR-UHFFFAOYSA-N -1 3 355.401 3.300 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1ccc2c3c(cccc31)CC2 ZINC000823108737 606499026 /nfs/dbraw/zinc/49/90/26/606499026.db2.gz QTHDJHGQANYRMR-UHFFFAOYSA-N -1 3 355.401 3.300 20 0 FGADHM CCCC(=O)Nc1cccc(NC(=O)c2cc(-c3nnn[n-]3)cs2)c1C ZINC000821009399 606499128 /nfs/dbraw/zinc/49/91/28/606499128.db2.gz QRMMTLAPAGJUMA-UHFFFAOYSA-N -1 3 370.438 3.228 20 0 FGADHM CCCC(=O)Nc1cccc(NC(=O)c2cc(-c3nn[n-]n3)cs2)c1C ZINC000821009399 606499129 /nfs/dbraw/zinc/49/91/29/606499129.db2.gz QRMMTLAPAGJUMA-UHFFFAOYSA-N -1 3 370.438 3.228 20 0 FGADHM CC(C)CCOc1ccccc1CNC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820076101 606502199 /nfs/dbraw/zinc/50/21/99/606502199.db2.gz AJIWAGJIXJFXPT-UHFFFAOYSA-N -1 3 371.466 3.283 20 0 FGADHM CC(C)CCOc1ccccc1CNC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820076101 606502201 /nfs/dbraw/zinc/50/22/01/606502201.db2.gz AJIWAGJIXJFXPT-UHFFFAOYSA-N -1 3 371.466 3.283 20 0 FGADHM CCN(Cc1cccc(Cl)c1)C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821221109 606505143 /nfs/dbraw/zinc/50/51/43/606505143.db2.gz IGXHHJWYGOWVDB-UHFFFAOYSA-N -1 3 355.829 3.111 20 0 FGADHM CCN(Cc1cccc(Cl)c1)C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821221109 606505145 /nfs/dbraw/zinc/50/51/45/606505145.db2.gz IGXHHJWYGOWVDB-UHFFFAOYSA-N -1 3 355.829 3.111 20 0 FGADHM COc1cc2nc(C)sc2cc1NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000821727166 606505782 /nfs/dbraw/zinc/50/57/82/606505782.db2.gz DLPKPPILTZEZRV-UHFFFAOYSA-N -1 3 372.435 3.107 20 0 FGADHM COc1cc2nc(C)sc2cc1NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000821727166 606505784 /nfs/dbraw/zinc/50/57/84/606505784.db2.gz DLPKPPILTZEZRV-UHFFFAOYSA-N -1 3 372.435 3.107 20 0 FGADHM CN(C(=O)c1cc(-c2nnn[n-]2)cs1)[C@H](c1ccccc1)C(F)(F)F ZINC000821573592 606507908 /nfs/dbraw/zinc/50/79/08/606507908.db2.gz WRSMTLOOOYTTMX-GFCCVEGCSA-N -1 3 367.356 3.304 20 0 FGADHM CN(C(=O)c1cc(-c2nn[n-]n2)cs1)[C@H](c1ccccc1)C(F)(F)F ZINC000821573592 606507909 /nfs/dbraw/zinc/50/79/09/606507909.db2.gz WRSMTLOOOYTTMX-GFCCVEGCSA-N -1 3 367.356 3.304 20 0 FGADHM O=C(N[C@H](c1ccc(F)cc1)C1CCC1)c1cc(-c2nnn[n-]2)cs1 ZINC000823140711 606508504 /nfs/dbraw/zinc/50/85/04/606508504.db2.gz YDGZYRCYFSATAG-HNNXBMFYSA-N -1 3 357.414 3.339 20 0 FGADHM O=C(N[C@H](c1ccc(F)cc1)C1CCC1)c1cc(-c2nn[n-]n2)cs1 ZINC000823140711 606508505 /nfs/dbraw/zinc/50/85/05/606508505.db2.gz YDGZYRCYFSATAG-HNNXBMFYSA-N -1 3 357.414 3.339 20 0 FGADHM O=C(N[C@H]1CCC[C@@H]1Cc1ccccc1)c1cc(-c2nnn[n-]2)cs1 ZINC000823149848 606515171 /nfs/dbraw/zinc/51/51/71/606515171.db2.gz ICJNLSVZTWHMHY-HIFRSBDPSA-N -1 3 353.451 3.069 20 0 FGADHM O=C(N[C@H]1CCC[C@@H]1Cc1ccccc1)c1cc(-c2nn[n-]n2)cs1 ZINC000823149848 606515172 /nfs/dbraw/zinc/51/51/72/606515172.db2.gz ICJNLSVZTWHMHY-HIFRSBDPSA-N -1 3 353.451 3.069 20 0 FGADHM O=C(OCc1cc2c(cccc2Cl)[nH]1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823417485 606517922 /nfs/dbraw/zinc/51/79/22/606517922.db2.gz BJHXOFQSXKOBMG-UHFFFAOYSA-N -1 3 353.769 3.358 20 0 FGADHM O=C(OCc1cc2c(cccc2Cl)[nH]1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823417485 606517924 /nfs/dbraw/zinc/51/79/24/606517924.db2.gz BJHXOFQSXKOBMG-UHFFFAOYSA-N -1 3 353.769 3.358 20 0 FGADHM C[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)cs2)c2cc(Cl)ccc2O1 ZINC000820743082 606520494 /nfs/dbraw/zinc/52/04/94/606520494.db2.gz QEDXOCFAUZIWFG-MRVPVSSYSA-N -1 3 361.814 3.009 20 0 FGADHM C[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)cs2)c2cc(Cl)ccc2O1 ZINC000820743082 606520495 /nfs/dbraw/zinc/52/04/95/606520495.db2.gz QEDXOCFAUZIWFG-MRVPVSSYSA-N -1 3 361.814 3.009 20 0 FGADHM O=C(c1sccc1-c1nnn[n-]1)N(Cc1cccs1)CC(F)(F)F ZINC000823498245 606525148 /nfs/dbraw/zinc/52/51/48/606525148.db2.gz IROAFFWRTMHLTK-UHFFFAOYSA-N -1 3 373.385 3.194 20 0 FGADHM O=C(c1sccc1-c1nn[n-]n1)N(Cc1cccs1)CC(F)(F)F ZINC000823498245 606525150 /nfs/dbraw/zinc/52/51/50/606525150.db2.gz IROAFFWRTMHLTK-UHFFFAOYSA-N -1 3 373.385 3.194 20 0 FGADHM CN(Cc1ccccc1C(F)(F)F)C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000821614475 606534932 /nfs/dbraw/zinc/53/49/32/606534932.db2.gz HZQWMQNAEGNUAE-UHFFFAOYSA-N -1 3 367.356 3.219 20 0 FGADHM CN(Cc1ccccc1C(F)(F)F)C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000821614475 606534933 /nfs/dbraw/zinc/53/49/33/606534933.db2.gz HZQWMQNAEGNUAE-UHFFFAOYSA-N -1 3 367.356 3.219 20 0 FGADHM Cn1cccc1[C@H]1CCCCCN1C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000822690110 606535633 /nfs/dbraw/zinc/53/56/33/606535633.db2.gz SLRHYNBZQPJMOD-CQSZACIVSA-N -1 3 356.455 3.024 20 0 FGADHM Cn1cccc1[C@H]1CCCCCN1C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000822690110 606535635 /nfs/dbraw/zinc/53/56/35/606535635.db2.gz SLRHYNBZQPJMOD-CQSZACIVSA-N -1 3 356.455 3.024 20 0 FGADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)N1CCCC[C@H]1c1ccc(F)cc1 ZINC000823074360 606535792 /nfs/dbraw/zinc/53/57/92/606535792.db2.gz PYUHDYOZOMXPRS-SFHVURJKSA-N -1 3 365.412 3.302 20 0 FGADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)N1CCCC[C@H]1c1ccc(F)cc1 ZINC000823074360 606535793 /nfs/dbraw/zinc/53/57/93/606535793.db2.gz PYUHDYOZOMXPRS-SFHVURJKSA-N -1 3 365.412 3.302 20 0 FGADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N(CC1CC1)c1ccccc1 ZINC000820536685 606549246 /nfs/dbraw/zinc/54/92/46/606549246.db2.gz WSDXIDZTAJGMPI-AWEZNQCLSA-N -1 3 363.421 3.077 20 0 FGADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N(CC1CC1)c1ccccc1 ZINC000820536685 606549248 /nfs/dbraw/zinc/54/92/48/606549248.db2.gz WSDXIDZTAJGMPI-AWEZNQCLSA-N -1 3 363.421 3.077 20 0 FGADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N(CC1CC1)c1ccccc1 ZINC000820519958 606549436 /nfs/dbraw/zinc/54/94/36/606549436.db2.gz XQIFCFUJLPBXTO-CQSZACIVSA-N -1 3 363.421 3.077 20 0 FGADHM C[C@H](C(=O)OCc1ccc(-c2nnn[n-]2)cc1OC(F)F)C(C)(C)C ZINC000819882503 606560034 /nfs/dbraw/zinc/56/00/34/606560034.db2.gz AQHFJCKUZYLEKM-SECBINFHSA-N -1 3 354.357 3.194 20 0 FGADHM C[C@H](C(=O)OCc1ccc(-c2nn[n-]n2)cc1OC(F)F)C(C)(C)C ZINC000819882503 606560037 /nfs/dbraw/zinc/56/00/37/606560037.db2.gz AQHFJCKUZYLEKM-SECBINFHSA-N -1 3 354.357 3.194 20 0 FGADHM CCc1ccc(CC)c(C(=O)COC(=O)c2cc(-c3nnn[n-]3)cs2)c1 ZINC000821481597 606562179 /nfs/dbraw/zinc/56/21/79/606562179.db2.gz LYPLYUPRSOXEMJ-UHFFFAOYSA-N -1 3 370.434 3.093 20 0 FGADHM CCc1ccc(CC)c(C(=O)COC(=O)c2cc(-c3nn[n-]n3)cs2)c1 ZINC000821481597 606562180 /nfs/dbraw/zinc/56/21/80/606562180.db2.gz LYPLYUPRSOXEMJ-UHFFFAOYSA-N -1 3 370.434 3.093 20 0 FGADHM O=C(OCc1cccc(Br)c1)c1cc(-c2nnn[n-]2)cs1 ZINC000823431740 606563459 /nfs/dbraw/zinc/56/34/59/606563459.db2.gz UYOZBKIKDZHRSB-UHFFFAOYSA-N -1 3 365.212 3.048 20 0 FGADHM O=C(OCc1cccc(Br)c1)c1cc(-c2nn[n-]n2)cs1 ZINC000823431740 606563460 /nfs/dbraw/zinc/56/34/60/606563460.db2.gz UYOZBKIKDZHRSB-UHFFFAOYSA-N -1 3 365.212 3.048 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H](C)c1ccc(F)cc1F ZINC000822220615 606575068 /nfs/dbraw/zinc/57/50/68/606575068.db2.gz YVPGVWNXAKDLOM-JTQLQIEISA-N -1 3 358.352 3.336 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@H](C)c1ccc(F)cc1F ZINC000822220615 606575069 /nfs/dbraw/zinc/57/50/69/606575069.db2.gz YVPGVWNXAKDLOM-JTQLQIEISA-N -1 3 358.352 3.336 20 0 FGADHM CO[C@H](C)c1nc(CNc2c(Cl)cccc2-c2nnn[n-]2)cs1 ZINC000821675699 606593436 /nfs/dbraw/zinc/59/34/36/606593436.db2.gz ROZCZYBFFROQOQ-MRVPVSSYSA-N -1 3 350.835 3.296 20 0 FGADHM CO[C@H](C)c1nc(CNc2c(Cl)cccc2-c2nn[n-]n2)cs1 ZINC000821675699 606593437 /nfs/dbraw/zinc/59/34/37/606593437.db2.gz ROZCZYBFFROQOQ-MRVPVSSYSA-N -1 3 350.835 3.296 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1cccc(NC2CCCC2)c1 ZINC000823108745 606596690 /nfs/dbraw/zinc/59/66/90/606596690.db2.gz RBPCJCGOPPTAIC-UHFFFAOYSA-N -1 3 362.437 3.402 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1cccc(NC2CCCC2)c1 ZINC000823108745 606596692 /nfs/dbraw/zinc/59/66/92/606596692.db2.gz RBPCJCGOPPTAIC-UHFFFAOYSA-N -1 3 362.437 3.402 20 0 FGADHM Cc1cccn2cc(CSCc3ccc(F)cc3-c3nnn[n-]3)nc12 ZINC000822366325 606598761 /nfs/dbraw/zinc/59/87/61/606598761.db2.gz HYIOPJLTGRFBGY-UHFFFAOYSA-N -1 3 354.414 3.395 20 0 FGADHM Cc1cccn2cc(CSCc3ccc(F)cc3-c3nn[n-]n3)nc12 ZINC000822366325 606598762 /nfs/dbraw/zinc/59/87/62/606598762.db2.gz HYIOPJLTGRFBGY-UHFFFAOYSA-N -1 3 354.414 3.395 20 0 FGADHM COc1cccc([C@H](C)CC(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC000821859408 606602628 /nfs/dbraw/zinc/60/26/28/606602628.db2.gz OCYMYDPOVSTUAA-CQSZACIVSA-N -1 3 365.437 3.028 20 0 FGADHM COc1cccc([C@H](C)CC(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC000821859408 606602630 /nfs/dbraw/zinc/60/26/30/606602630.db2.gz OCYMYDPOVSTUAA-CQSZACIVSA-N -1 3 365.437 3.028 20 0 FGADHM O=C(Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1)C1CC(F)(F)C1 ZINC000823443935 606618666 /nfs/dbraw/zinc/61/86/66/606618666.db2.gz HFEIOPCVCHJJHC-UHFFFAOYSA-N -1 3 356.332 3.484 20 0 FGADHM O=C(Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1)C1CC(F)(F)C1 ZINC000823443935 606618668 /nfs/dbraw/zinc/61/86/68/606618668.db2.gz HFEIOPCVCHJJHC-UHFFFAOYSA-N -1 3 356.332 3.484 20 0 FGADHM Cc1ccc(/C=C/CC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000822232947 606620995 /nfs/dbraw/zinc/62/09/95/606620995.db2.gz FDTUEHZSYZCRJO-NSCUHMNNSA-N -1 3 351.385 3.034 20 0 FGADHM Cc1ccc(/C=C/CC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000822232947 606620997 /nfs/dbraw/zinc/62/09/97/606620997.db2.gz FDTUEHZSYZCRJO-NSCUHMNNSA-N -1 3 351.385 3.034 20 0 FGADHM Cc1[nH]ccc1C(=O)Nc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822009704 606627363 /nfs/dbraw/zinc/62/73/63/606627363.db2.gz CALFUNPLXATRGS-UHFFFAOYSA-N -1 3 374.404 3.335 20 0 FGADHM Cc1[nH]ccc1C(=O)Nc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822009704 606627364 /nfs/dbraw/zinc/62/73/64/606627364.db2.gz CALFUNPLXATRGS-UHFFFAOYSA-N -1 3 374.404 3.335 20 0 FGADHM Fc1cccc(SCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)c1 ZINC000822790950 606627874 /nfs/dbraw/zinc/62/78/74/606627874.db2.gz AYEFPUXQOISIFS-UHFFFAOYSA-N -1 3 354.370 3.348 20 0 FGADHM Fc1cccc(SCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)c1 ZINC000822790950 606627875 /nfs/dbraw/zinc/62/78/75/606627875.db2.gz AYEFPUXQOISIFS-UHFFFAOYSA-N -1 3 354.370 3.348 20 0 FGADHM CC1CCC(NC(=O)CSc2ccc(Cl)cc2-c2nnn[n-]2)CC1 ZINC000820690405 606628468 /nfs/dbraw/zinc/62/84/68/606628468.db2.gz LGPLYMGUDFZXEH-UHFFFAOYSA-N -1 3 365.890 3.307 20 0 FGADHM CC1CCC(NC(=O)CSc2ccc(Cl)cc2-c2nn[n-]n2)CC1 ZINC000820690405 606628469 /nfs/dbraw/zinc/62/84/69/606628469.db2.gz LGPLYMGUDFZXEH-UHFFFAOYSA-N -1 3 365.890 3.307 20 0 FGADHM O=C(CSCc1ccc(F)cc1F)Nc1cccc(-c2nnn[n-]2)c1 ZINC000823061005 606633100 /nfs/dbraw/zinc/63/31/00/606633100.db2.gz RPCGWHSVAMGLRE-UHFFFAOYSA-N -1 3 361.377 3.017 20 0 FGADHM O=C(CSCc1ccc(F)cc1F)Nc1cccc(-c2nn[n-]n2)c1 ZINC000823061005 606633101 /nfs/dbraw/zinc/63/31/01/606633101.db2.gz RPCGWHSVAMGLRE-UHFFFAOYSA-N -1 3 361.377 3.017 20 0 FGADHM C[C@H](c1ccco1)N(C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000820340631 606657902 /nfs/dbraw/zinc/65/79/02/606657902.db2.gz MJCGJPJAQYRATD-QWHCGFSZSA-N -1 3 366.425 3.456 20 0 FGADHM C[C@H](c1ccco1)N(C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000820340631 606657903 /nfs/dbraw/zinc/65/79/03/606657903.db2.gz MJCGJPJAQYRATD-QWHCGFSZSA-N -1 3 366.425 3.456 20 0 FGADHM O=C(c1ccc(-c2nnn[n-]2)cc1)N1CCCCC[C@H]1[C@H]1CCCCC1=O ZINC000823526057 606659349 /nfs/dbraw/zinc/65/93/49/606659349.db2.gz YFOPHRJJOSBCSF-SJORKVTESA-N -1 3 367.453 3.011 20 0 FGADHM O=C(c1ccc(-c2nn[n-]n2)cc1)N1CCCCC[C@H]1[C@H]1CCCCC1=O ZINC000823526057 606659350 /nfs/dbraw/zinc/65/93/50/606659350.db2.gz YFOPHRJJOSBCSF-SJORKVTESA-N -1 3 367.453 3.011 20 0 FGADHM CC(C)C[C@@H](C)OCCC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820057326 606664989 /nfs/dbraw/zinc/66/49/89/606664989.db2.gz YKYJHNZQBLCILP-LLVKDONJSA-N -1 3 351.838 3.300 20 0 FGADHM CC(C)C[C@@H](C)OCCC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820057326 606664990 /nfs/dbraw/zinc/66/49/90/606664990.db2.gz YKYJHNZQBLCILP-LLVKDONJSA-N -1 3 351.838 3.300 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)CCO[C@H](C)CC(C)C ZINC000821099423 606667728 /nfs/dbraw/zinc/66/77/28/606667728.db2.gz HBKGROVZODPYOV-MRXNPFEDSA-N -1 3 373.501 3.447 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)CCO[C@H](C)CC(C)C ZINC000821099423 606667729 /nfs/dbraw/zinc/66/77/29/606667729.db2.gz HBKGROVZODPYOV-MRXNPFEDSA-N -1 3 373.501 3.447 20 0 FGADHM CC(C)(C)[C@H]1CCCC[C@@H]1NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000819908246 606669093 /nfs/dbraw/zinc/66/90/93/606669093.db2.gz YELKYAZMEHQRJJ-FZMZJTMJSA-N -1 3 363.412 3.480 20 0 FGADHM CC(C)(C)[C@H]1CCCC[C@@H]1NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000819908246 606669094 /nfs/dbraw/zinc/66/90/94/606669094.db2.gz YELKYAZMEHQRJJ-FZMZJTMJSA-N -1 3 363.412 3.480 20 0 FGADHM CCCOc1cccc(NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c1 ZINC000821138520 606669467 /nfs/dbraw/zinc/66/94/67/606669467.db2.gz AXBXBYBTUBHUMQ-UHFFFAOYSA-N -1 3 359.336 3.186 20 0 FGADHM CCCOc1cccc(NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c1 ZINC000821138520 606669468 /nfs/dbraw/zinc/66/94/68/606669468.db2.gz AXBXBYBTUBHUMQ-UHFFFAOYSA-N -1 3 359.336 3.186 20 0 FGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Cc1c(F)cccc1F ZINC000820116009 606670089 /nfs/dbraw/zinc/67/00/89/606670089.db2.gz DPHRKCNNXGGTII-UHFFFAOYSA-N -1 3 371.391 3.125 20 0 FGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Cc1c(F)cccc1F ZINC000820116009 606670090 /nfs/dbraw/zinc/67/00/90/606670090.db2.gz DPHRKCNNXGGTII-UHFFFAOYSA-N -1 3 371.391 3.125 20 0 FGADHM COC[C@H](C)CC(=O)N(Cc1ccccc1)c1ccccc1-c1nnn[n-]1 ZINC000821681599 606671306 /nfs/dbraw/zinc/67/13/06/606671306.db2.gz OGKUSQCRGKWTQM-OAHLLOKOSA-N -1 3 365.437 3.073 20 0 FGADHM COC[C@H](C)CC(=O)N(Cc1ccccc1)c1ccccc1-c1nn[n-]n1 ZINC000821681599 606671307 /nfs/dbraw/zinc/67/13/07/606671307.db2.gz OGKUSQCRGKWTQM-OAHLLOKOSA-N -1 3 365.437 3.073 20 0 FGADHM C[C@@H](CSc1ccc(F)cc1)C(=O)N(C)c1cccc(-c2nnn[n-]2)c1 ZINC000820295147 606673288 /nfs/dbraw/zinc/67/32/88/606673288.db2.gz ZJUXCDGFVWMSTK-LBPRGKRZSA-N -1 3 371.441 3.397 20 0 FGADHM C[C@@H](CSc1ccc(F)cc1)C(=O)N(C)c1cccc(-c2nn[n-]n2)c1 ZINC000820295147 606673289 /nfs/dbraw/zinc/67/32/89/606673289.db2.gz ZJUXCDGFVWMSTK-LBPRGKRZSA-N -1 3 371.441 3.397 20 0 FGADHM C[C@H](CN(C)C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000820254415 606676547 /nfs/dbraw/zinc/67/65/47/606676547.db2.gz PINMSLFCNBJNQW-LLVKDONJSA-N -1 3 357.364 3.021 20 0 FGADHM C[C@H](CN(C)C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000820254415 606676548 /nfs/dbraw/zinc/67/65/48/606676548.db2.gz PINMSLFCNBJNQW-LLVKDONJSA-N -1 3 357.364 3.021 20 0 FGADHM Cc1ccc(C[C@H](C)NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c(C)c1 ZINC000822235262 606678324 /nfs/dbraw/zinc/67/83/24/606678324.db2.gz ZBMTZOOONYBOKB-LBPRGKRZSA-N -1 3 371.391 3.123 20 0 FGADHM Cc1ccc(C[C@H](C)NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c(C)c1 ZINC000822235262 606678325 /nfs/dbraw/zinc/67/83/25/606678325.db2.gz ZBMTZOOONYBOKB-LBPRGKRZSA-N -1 3 371.391 3.123 20 0 FGADHM Cc1ccc(F)c2c1N(C(=O)c1c(F)cc(-c3nnn[n-]3)cc1F)CCC2 ZINC000822240986 606678335 /nfs/dbraw/zinc/67/83/35/606678335.db2.gz HSQXLLKGRMDFNQ-UHFFFAOYSA-N -1 3 373.338 3.185 20 0 FGADHM Cc1ccc(F)c2c1N(C(=O)c1c(F)cc(-c3nn[n-]n3)cc1F)CCC2 ZINC000822240986 606678336 /nfs/dbraw/zinc/67/83/36/606678336.db2.gz HSQXLLKGRMDFNQ-UHFFFAOYSA-N -1 3 373.338 3.185 20 0 FGADHM COc1c(F)ccc(F)c1C(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821698661 606685167 /nfs/dbraw/zinc/68/51/67/606685167.db2.gz TXVKBDPJEOOJSX-SECBINFHSA-N -1 3 360.320 3.072 20 0 FGADHM COc1c(F)ccc(F)c1C(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821698661 606685168 /nfs/dbraw/zinc/68/51/68/606685168.db2.gz TXVKBDPJEOOJSX-SECBINFHSA-N -1 3 360.320 3.072 20 0 FGADHM FC(F)c1cccc(NCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)c1 ZINC000822736961 606703170 /nfs/dbraw/zinc/70/31/70/606703170.db2.gz MPDGZCCPQLTELA-UHFFFAOYSA-N -1 3 369.335 3.466 20 0 FGADHM FC(F)c1cccc(NCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)c1 ZINC000822736961 606703171 /nfs/dbraw/zinc/70/31/71/606703171.db2.gz MPDGZCCPQLTELA-UHFFFAOYSA-N -1 3 369.335 3.466 20 0 FGADHM CCCN(Cc1ccsc1C(=O)OC)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000821104588 606703922 /nfs/dbraw/zinc/70/39/22/606703922.db2.gz JFYSMEXGQNCEKN-UHFFFAOYSA-N -1 3 371.466 3.127 20 0 FGADHM Brc1ccccc1[C@H]1CCCN1c1ccc(-c2nnn[n-]2)cn1 ZINC000819689177 606726902 /nfs/dbraw/zinc/72/69/02/606726902.db2.gz WTLCZFLBXKVLSD-CQSZACIVSA-N -1 3 371.242 3.366 20 0 FGADHM Brc1ccccc1[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cn1 ZINC000819689177 606726903 /nfs/dbraw/zinc/72/69/03/606726903.db2.gz WTLCZFLBXKVLSD-CQSZACIVSA-N -1 3 371.242 3.366 20 0 FGADHM COCCOc1cc(C)ccc1CNc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821693190 606727189 /nfs/dbraw/zinc/72/71/89/606727189.db2.gz WFKBISDBFICOOJ-UHFFFAOYSA-N -1 3 373.844 3.466 20 0 FGADHM COCCOc1cc(C)ccc1CNc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821693190 606727190 /nfs/dbraw/zinc/72/71/90/606727190.db2.gz WFKBISDBFICOOJ-UHFFFAOYSA-N -1 3 373.844 3.466 20 0 FGADHM COCCOc1cc(C)ccc1CNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000821692800 606727521 /nfs/dbraw/zinc/72/75/21/606727521.db2.gz CKYDCMYQOJDGCA-UHFFFAOYSA-N -1 3 373.844 3.466 20 0 FGADHM COCCOc1cc(C)ccc1CNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000821692800 606727522 /nfs/dbraw/zinc/72/75/22/606727522.db2.gz CKYDCMYQOJDGCA-UHFFFAOYSA-N -1 3 373.844 3.466 20 0 FGADHM C[C@H](OC1CCCCCC1)C(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000820518493 606763679 /nfs/dbraw/zinc/76/36/79/606763679.db2.gz FRGRKQPQTYYHHM-LBPRGKRZSA-N -1 3 362.405 3.177 20 0 FGADHM C[C@H](OC1CCCCCC1)C(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000820518493 606763680 /nfs/dbraw/zinc/76/36/80/606763680.db2.gz FRGRKQPQTYYHHM-LBPRGKRZSA-N -1 3 362.405 3.177 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)NC1(Cc2ccccc2)CCC1 ZINC000823332970 606772607 /nfs/dbraw/zinc/77/26/07/606772607.db2.gz WFDYPJSUQZJYOF-UHFFFAOYSA-N -1 3 366.400 3.293 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)NC1(Cc2ccccc2)CCC1 ZINC000823332970 606772609 /nfs/dbraw/zinc/77/26/09/606772609.db2.gz WFDYPJSUQZJYOF-UHFFFAOYSA-N -1 3 366.400 3.293 20 0 FGADHM CC(C)CC1(C(=O)NCCSCc2ccccc2-c2nnn[n-]2)CCC1 ZINC000820063132 606775572 /nfs/dbraw/zinc/77/55/72/606775572.db2.gz RLYVPNVTRGNBAJ-UHFFFAOYSA-N -1 3 373.526 3.433 20 0 FGADHM CC(C)CC1(C(=O)NCCSCc2ccccc2-c2nn[n-]n2)CCC1 ZINC000820063132 606775573 /nfs/dbraw/zinc/77/55/73/606775573.db2.gz RLYVPNVTRGNBAJ-UHFFFAOYSA-N -1 3 373.526 3.433 20 0 FGADHM Cc1ccccc1-c1nc(COc2cc(Cl)ccc2-c2nnn[n-]2)no1 ZINC000822345486 606780759 /nfs/dbraw/zinc/78/07/59/606780759.db2.gz KCORXPOULNFRBT-UHFFFAOYSA-N -1 3 368.784 3.458 20 0 FGADHM Cc1ccccc1-c1nc(COc2cc(Cl)ccc2-c2nn[n-]n2)no1 ZINC000822345486 606780761 /nfs/dbraw/zinc/78/07/61/606780761.db2.gz KCORXPOULNFRBT-UHFFFAOYSA-N -1 3 368.784 3.458 20 0 FGADHM CC(C)N(C(=O)COc1cc(Cl)ccc1-c1nnn[n-]1)C1CCCC1 ZINC000820112264 606784844 /nfs/dbraw/zinc/78/48/44/606784844.db2.gz PCIDHGDBCGTELO-UHFFFAOYSA-N -1 3 363.849 3.079 20 0 FGADHM CC(C)N(C(=O)COc1cc(Cl)ccc1-c1nn[n-]n1)C1CCCC1 ZINC000820112264 606784845 /nfs/dbraw/zinc/78/48/45/606784845.db2.gz PCIDHGDBCGTELO-UHFFFAOYSA-N -1 3 363.849 3.079 20 0 FGADHM Clc1ccc(-c2nnn[n-]2)c(OCc2cnn(-c3ccccc3)c2)c1 ZINC000822573746 606785461 /nfs/dbraw/zinc/78/54/61/606785461.db2.gz GZJDKIZZDSPHEV-UHFFFAOYSA-N -1 3 352.785 3.285 20 0 FGADHM Clc1ccc(-c2nn[n-]n2)c(OCc2cnn(-c3ccccc3)c2)c1 ZINC000822573746 606785463 /nfs/dbraw/zinc/78/54/63/606785463.db2.gz GZJDKIZZDSPHEV-UHFFFAOYSA-N -1 3 352.785 3.285 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)Cc1ccc(C)cc1Cl ZINC000821755999 606802536 /nfs/dbraw/zinc/80/25/36/606802536.db2.gz LKFUALOVYLDQLI-UHFFFAOYSA-N -1 3 357.801 3.018 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)Cc1ccc(C)cc1Cl ZINC000821755999 606802537 /nfs/dbraw/zinc/80/25/37/606802537.db2.gz LKFUALOVYLDQLI-UHFFFAOYSA-N -1 3 357.801 3.018 20 0 FGADHM Cc1ccc(Cl)c(NC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000822240196 606807879 /nfs/dbraw/zinc/80/78/79/606807879.db2.gz WMVIPOZPSLOIHI-UHFFFAOYSA-N -1 3 360.780 3.289 20 0 FGADHM Cc1ccc(Cl)c(NC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000822240196 606807881 /nfs/dbraw/zinc/80/78/81/606807881.db2.gz WMVIPOZPSLOIHI-UHFFFAOYSA-N -1 3 360.780 3.289 20 0 FGADHM CC(=O)[C@@H](C)OC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000819782289 606829024 /nfs/dbraw/zinc/82/90/24/606829024.db2.gz KVJQITFOTNWJHK-CYBMUJFWSA-N -1 3 366.377 3.102 20 0 FGADHM CC(=O)[C@@H](C)OC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000819782289 606829025 /nfs/dbraw/zinc/82/90/25/606829025.db2.gz KVJQITFOTNWJHK-CYBMUJFWSA-N -1 3 366.377 3.102 20 0 FGADHM O=C(OCc1cc(-c2nnn[n-]2)ccc1F)c1cc(F)cc(Cl)c1 ZINC000823414358 606829130 /nfs/dbraw/zinc/82/91/30/606829130.db2.gz VSPPOSWVNANOKH-UHFFFAOYSA-N -1 3 350.712 3.155 20 0 FGADHM O=C(OCc1cc(-c2nn[n-]n2)ccc1F)c1cc(F)cc(Cl)c1 ZINC000823414358 606829132 /nfs/dbraw/zinc/82/91/32/606829132.db2.gz VSPPOSWVNANOKH-UHFFFAOYSA-N -1 3 350.712 3.155 20 0 FGADHM CC[C@@H]1CCC[C@@H]1NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000820981772 606834571 /nfs/dbraw/zinc/83/45/71/606834571.db2.gz WXZYLTOIMNXNLA-KOLCDFICSA-N -1 3 366.372 3.168 20 0 FGADHM CC[C@@H]1CCC[C@@H]1NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000820981772 606834573 /nfs/dbraw/zinc/83/45/73/606834573.db2.gz WXZYLTOIMNXNLA-KOLCDFICSA-N -1 3 366.372 3.168 20 0 FGADHM Fc1ccc(-c2nn[n-]n2)cc1CN1CC(c2nc3ccccc3s2)C1 ZINC000822757660 606846738 /nfs/dbraw/zinc/84/67/38/606846738.db2.gz BJFYQMHIIMNZMD-UHFFFAOYSA-N -1 3 366.425 3.215 20 0 FGADHM CCOCCC1(C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)CCCC1 ZINC000821373297 606852465 /nfs/dbraw/zinc/85/24/65/606852465.db2.gz FHSFCNVHTSVDQQ-UHFFFAOYSA-N -1 3 363.849 3.446 20 0 FGADHM CCOCCC1(C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)CCCC1 ZINC000821373297 606852466 /nfs/dbraw/zinc/85/24/66/606852466.db2.gz FHSFCNVHTSVDQQ-UHFFFAOYSA-N -1 3 363.849 3.446 20 0 FGADHM CN(C)C(=O)[C@@H](Sc1ccc(-c2nnn[n-]2)cc1Cl)c1ccccc1 ZINC000821574799 606854011 /nfs/dbraw/zinc/85/40/11/606854011.db2.gz XRNVQTXXMZIOBW-HNNXBMFYSA-N -1 3 373.869 3.442 20 0 FGADHM CN(C)C(=O)[C@@H](Sc1ccc(-c2nn[n-]n2)cc1Cl)c1ccccc1 ZINC000821574799 606854013 /nfs/dbraw/zinc/85/40/13/606854013.db2.gz XRNVQTXXMZIOBW-HNNXBMFYSA-N -1 3 373.869 3.442 20 0 FGADHM CCc1noc(C)c1CNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000821553481 606860203 /nfs/dbraw/zinc/86/02/03/606860203.db2.gz JOZNWDWIVILHKU-UHFFFAOYSA-N -1 3 352.320 3.356 20 0 FGADHM CCc1noc(C)c1CNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821553481 606860204 /nfs/dbraw/zinc/86/02/04/606860204.db2.gz JOZNWDWIVILHKU-UHFFFAOYSA-N -1 3 352.320 3.356 20 0 FGADHM C[C@H](NC(=O)c1cncc(-c2ccccc2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820403747 606860754 /nfs/dbraw/zinc/86/07/54/606860754.db2.gz MBEMJCBFIAYDDA-AWEZNQCLSA-N -1 3 370.416 3.420 20 0 FGADHM C[C@H](NC(=O)c1cncc(-c2ccccc2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820403747 606860757 /nfs/dbraw/zinc/86/07/57/606860757.db2.gz MBEMJCBFIAYDDA-AWEZNQCLSA-N -1 3 370.416 3.420 20 0 FGADHM O=C(NCC1(Cc2ccccc2)CCC1)c1sccc1-c1nnn[n-]1 ZINC000823170476 606872388 /nfs/dbraw/zinc/87/23/88/606872388.db2.gz CDASMUZFKDZERG-UHFFFAOYSA-N -1 3 353.451 3.071 20 0 FGADHM O=C(NCC1(Cc2ccccc2)CCC1)c1sccc1-c1nn[n-]n1 ZINC000823170476 606872390 /nfs/dbraw/zinc/87/23/90/606872390.db2.gz CDASMUZFKDZERG-UHFFFAOYSA-N -1 3 353.451 3.071 20 0 FGADHM Cc1nc(CCNc2cc(-c3nnn[n-]3)c3ccccc3n2)sc1C ZINC000822441081 606875885 /nfs/dbraw/zinc/87/58/85/606875885.db2.gz RUJDORAHZKOUSM-UHFFFAOYSA-N -1 3 351.439 3.143 20 0 FGADHM Cc1nc(CCNc2cc(-c3nn[n-]n3)c3ccccc3n2)sc1C ZINC000822441081 606875886 /nfs/dbraw/zinc/87/58/86/606875886.db2.gz RUJDORAHZKOUSM-UHFFFAOYSA-N -1 3 351.439 3.143 20 0 FGADHM CN(C[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(C(C)(C)C)cc1 ZINC000821595488 606888006 /nfs/dbraw/zinc/88/80/06/606888006.db2.gz YTZDDYQJLDLIOE-GOSISDBHSA-N -1 3 351.454 3.334 20 0 FGADHM CN(C[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(C(C)(C)C)cc1 ZINC000821595488 606888007 /nfs/dbraw/zinc/88/80/07/606888007.db2.gz YTZDDYQJLDLIOE-GOSISDBHSA-N -1 3 351.454 3.334 20 0 FGADHM C[C@@]1(CNc2ccc(C(F)(F)F)cc2-c2nnn[n-]2)CCCC[C@H]1O ZINC000820623752 606941279 /nfs/dbraw/zinc/94/12/79/606941279.db2.gz XUOWFNGFHNUIER-HIFRSBDPSA-N -1 3 355.364 3.239 20 0 FGADHM C[C@@]1(CNc2ccc(C(F)(F)F)cc2-c2nn[n-]n2)CCCC[C@H]1O ZINC000820623752 606941280 /nfs/dbraw/zinc/94/12/80/606941280.db2.gz XUOWFNGFHNUIER-HIFRSBDPSA-N -1 3 355.364 3.239 20 0 FGADHM CC[C@@H](OC(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc(Cl)cc1 ZINC000820939638 606941423 /nfs/dbraw/zinc/94/14/23/606941423.db2.gz WNGKQMPCGPYZBM-OAHLLOKOSA-N -1 3 370.796 3.338 20 0 FGADHM CC[C@@H](OC(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc(Cl)cc1 ZINC000820939638 606941426 /nfs/dbraw/zinc/94/14/26/606941426.db2.gz WNGKQMPCGPYZBM-OAHLLOKOSA-N -1 3 370.796 3.338 20 0 FGADHM Cc1ccc(Br)c(C(=O)OCc2ccccc2-c2nnn[n-]2)c1 ZINC000822224827 606953766 /nfs/dbraw/zinc/95/37/66/606953766.db2.gz BUVOVLPIMYGPHO-UHFFFAOYSA-N -1 3 373.210 3.295 20 0 FGADHM Cc1ccc(Br)c(C(=O)OCc2ccccc2-c2nn[n-]n2)c1 ZINC000822224827 606953767 /nfs/dbraw/zinc/95/37/67/606953767.db2.gz BUVOVLPIMYGPHO-UHFFFAOYSA-N -1 3 373.210 3.295 20 0 FGADHM CC[C@@]1(C)CCN(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)C1 ZINC000820949808 606955037 /nfs/dbraw/zinc/95/50/37/606955037.db2.gz FZXOORVFIWMLGN-INIZCTEOSA-N -1 3 366.372 3.122 20 0 FGADHM CC[C@@]1(C)CCN(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)C1 ZINC000820949808 606955040 /nfs/dbraw/zinc/95/50/40/606955040.db2.gz FZXOORVFIWMLGN-INIZCTEOSA-N -1 3 366.372 3.122 20 0 FGADHM CS/C=C\C(=O)Oc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821956570 606959356 /nfs/dbraw/zinc/95/93/56/606959356.db2.gz RRBFTHJKZODADU-KHPPLWFESA-N -1 3 354.391 3.441 20 0 FGADHM CS/C=C\C(=O)Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821956570 606959358 /nfs/dbraw/zinc/95/93/58/606959358.db2.gz RRBFTHJKZODADU-KHPPLWFESA-N -1 3 354.391 3.441 20 0 FGADHM Fc1ccc(CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C2CC2)c(F)c1 ZINC000822767103 606964223 /nfs/dbraw/zinc/96/42/23/606964223.db2.gz WTGVXLKDHDSOEI-UHFFFAOYSA-N -1 3 359.355 3.449 20 0 FGADHM Fc1ccc(CN(Cc2ccc(F)c(-c3nn[n-]n3)c2)C2CC2)c(F)c1 ZINC000822767103 606964226 /nfs/dbraw/zinc/96/42/26/606964226.db2.gz WTGVXLKDHDSOEI-UHFFFAOYSA-N -1 3 359.355 3.449 20 0 FGADHM C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)N1Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820803905 606971440 /nfs/dbraw/zinc/97/14/40/606971440.db2.gz JLWAEENLHYQTTR-PJIJBLCYSA-N -1 3 367.428 3.356 20 0 FGADHM C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)N1Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820803905 606971442 /nfs/dbraw/zinc/97/14/42/606971442.db2.gz JLWAEENLHYQTTR-PJIJBLCYSA-N -1 3 367.428 3.356 20 0 FGADHM C[C@H]1c2cc(F)cc(F)c2CCN1Cc1ccc(-c2nnn[n-]2)cc1F ZINC000820821398 606981958 /nfs/dbraw/zinc/98/19/58/606981958.db2.gz SRQSXYQDEHEDLE-JTQLQIEISA-N -1 3 359.355 3.403 20 0 FGADHM C[C@H]1c2cc(F)cc(F)c2CCN1Cc1ccc(-c2nn[n-]n2)cc1F ZINC000820821398 606981959 /nfs/dbraw/zinc/98/19/59/606981959.db2.gz SRQSXYQDEHEDLE-JTQLQIEISA-N -1 3 359.355 3.403 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)C1(c2ccccc2)CCC1 ZINC000823421848 606992667 /nfs/dbraw/zinc/99/26/67/606992667.db2.gz IRHXSSYFXPZNQY-UHFFFAOYSA-N -1 3 352.369 3.171 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)C1(c2ccccc2)CCC1 ZINC000823421848 606992668 /nfs/dbraw/zinc/99/26/68/606992668.db2.gz IRHXSSYFXPZNQY-UHFFFAOYSA-N -1 3 352.369 3.171 20 0 FGADHM CC(C)(CC(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000819976265 606996295 /nfs/dbraw/zinc/99/62/95/606996295.db2.gz RWBYOXIMJVVSKZ-UHFFFAOYSA-N -1 3 354.385 3.417 20 0 FGADHM CC(C)(CC(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000819976265 606996297 /nfs/dbraw/zinc/99/62/97/606996297.db2.gz RWBYOXIMJVVSKZ-UHFFFAOYSA-N -1 3 354.385 3.417 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)C1(c2cccc(Cl)c2)CC1 ZINC000823422374 606996344 /nfs/dbraw/zinc/99/63/44/606996344.db2.gz SJHQPNINZVAWAL-UHFFFAOYSA-N -1 3 372.787 3.434 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)C1(c2cccc(Cl)c2)CC1 ZINC000823422374 606996346 /nfs/dbraw/zinc/99/63/46/606996346.db2.gz SJHQPNINZVAWAL-UHFFFAOYSA-N -1 3 372.787 3.434 20 0 FGADHM CS[C@@H](C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000821941872 607000225 /nfs/dbraw/zinc/00/02/25/607000225.db2.gz KINYMVLUCFKTHC-OAHLLOKOSA-N -1 3 358.398 3.153 20 0 FGADHM CS[C@@H](C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000821941872 607000226 /nfs/dbraw/zinc/00/02/26/607000226.db2.gz KINYMVLUCFKTHC-OAHLLOKOSA-N -1 3 358.398 3.153 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000823422340 607000911 /nfs/dbraw/zinc/00/09/11/607000911.db2.gz QYICBWLIPCVRLE-WDEREUQCSA-N -1 3 374.322 3.131 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000823422340 607000913 /nfs/dbraw/zinc/00/09/13/607000913.db2.gz QYICBWLIPCVRLE-WDEREUQCSA-N -1 3 374.322 3.131 20 0 FGADHM O=C(C/C=C\c1ccc(F)cc1)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822945398 607002332 /nfs/dbraw/zinc/00/23/32/607002332.db2.gz CZTQSKBGDZZDSF-UPHRSURJSA-N -1 3 356.332 3.292 20 0 FGADHM O=C(C/C=C\c1ccc(F)cc1)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822945398 607002334 /nfs/dbraw/zinc/00/23/34/607002334.db2.gz CZTQSKBGDZZDSF-UPHRSURJSA-N -1 3 356.332 3.292 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000823422003 607002448 /nfs/dbraw/zinc/00/24/48/607002448.db2.gz MRJWEYPBAUBKJU-WCQYABFASA-N -1 3 374.322 3.131 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000823422003 607002450 /nfs/dbraw/zinc/00/24/50/607002450.db2.gz MRJWEYPBAUBKJU-WCQYABFASA-N -1 3 374.322 3.131 20 0 FGADHM CC(C)(C)Oc1cccc(CCC(=O)Nc2ccccc2-c2nnn[n-]2)n1 ZINC000819950839 607005108 /nfs/dbraw/zinc/00/51/08/607005108.db2.gz NNNUPGZVOIJBLU-UHFFFAOYSA-N -1 3 366.425 3.010 20 0 FGADHM CC(C)(C)Oc1cccc(CCC(=O)Nc2ccccc2-c2nn[n-]n2)n1 ZINC000819950839 607005109 /nfs/dbraw/zinc/00/51/09/607005109.db2.gz NNNUPGZVOIJBLU-UHFFFAOYSA-N -1 3 366.425 3.010 20 0 FGADHM COc1ccc(C)cc1NC(=O)[C@@H](C)Sc1cccc(-c2nnn[n-]2)c1 ZINC000821782152 607012029 /nfs/dbraw/zinc/01/20/29/607012029.db2.gz AUTHYGPBGPOGCD-GFCCVEGCSA-N -1 3 369.450 3.303 20 0 FGADHM COc1ccc(C)cc1NC(=O)[C@@H](C)Sc1cccc(-c2nn[n-]n2)c1 ZINC000821782152 607012031 /nfs/dbraw/zinc/01/20/31/607012031.db2.gz AUTHYGPBGPOGCD-GFCCVEGCSA-N -1 3 369.450 3.303 20 0 FGADHM CC(C)[C@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000820649629 607013533 /nfs/dbraw/zinc/01/35/33/607013533.db2.gz NJFVNDQSMJOVDX-VBQJREDUSA-N -1 3 373.526 3.488 20 0 FGADHM CC(C)[C@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000820649629 607013535 /nfs/dbraw/zinc/01/35/35/607013535.db2.gz NJFVNDQSMJOVDX-VBQJREDUSA-N -1 3 373.526 3.488 20 0 FGADHM CCc1ccc(CN(C)C(=O)CSc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821481730 607015191 /nfs/dbraw/zinc/01/51/91/607015191.db2.gz MSKIITFWTPOBDF-UHFFFAOYSA-N -1 3 367.478 3.180 20 0 FGADHM CCc1ccc(CN(C)C(=O)CSc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821481730 607015192 /nfs/dbraw/zinc/01/51/92/607015192.db2.gz MSKIITFWTPOBDF-UHFFFAOYSA-N -1 3 367.478 3.180 20 0 FGADHM Cc1cn(CC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1-c1nnn[n-]1 ZINC000822384955 607022366 /nfs/dbraw/zinc/02/23/66/607022366.db2.gz WFUJIIVZABVMHO-UHFFFAOYSA-N -1 3 374.404 3.408 20 0 FGADHM Cc1cn(CC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1-c1nn[n-]n1 ZINC000822384955 607022367 /nfs/dbraw/zinc/02/23/67/607022367.db2.gz WFUJIIVZABVMHO-UHFFFAOYSA-N -1 3 374.404 3.408 20 0 FGADHM CCn1c(SCc2cc(F)ccc2-c2nnn[n-]2)nnc1-c1ccco1 ZINC000821565181 607037373 /nfs/dbraw/zinc/03/73/73/607037373.db2.gz HQUWYHJRIGTKIO-UHFFFAOYSA-N -1 3 371.401 3.170 20 0 FGADHM CCn1c(SCc2cc(F)ccc2-c2nn[n-]n2)nnc1-c1ccco1 ZINC000821565181 607037374 /nfs/dbraw/zinc/03/73/74/607037374.db2.gz HQUWYHJRIGTKIO-UHFFFAOYSA-N -1 3 371.401 3.170 20 0 FGADHM Fc1ccc(-c2nnn[n-]2)c(CSc2ncccc2Br)c1 ZINC000822757619 607039912 /nfs/dbraw/zinc/03/99/12/607039912.db2.gz AELWJNIMCWCFPM-UHFFFAOYSA-N -1 3 366.219 3.456 20 0 FGADHM Fc1ccc(-c2nn[n-]n2)c(CSc2ncccc2Br)c1 ZINC000822757619 607039913 /nfs/dbraw/zinc/03/99/13/607039913.db2.gz AELWJNIMCWCFPM-UHFFFAOYSA-N -1 3 366.219 3.456 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cccc(C(C)=O)c1 ZINC000821123681 607044695 /nfs/dbraw/zinc/04/46/95/607044695.db2.gz VEUOFQSWRUAOCQ-UHFFFAOYSA-N -1 3 364.409 3.144 20 0 FGADHM Cc1[nH]c2ccccc2c1CC(=O)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000822010275 607077140 /nfs/dbraw/zinc/07/71/40/607077140.db2.gz VZTGATQTVMWVIG-UHFFFAOYSA-N -1 3 365.368 3.081 20 0 FGADHM Cc1[nH]c2ccccc2c1CC(=O)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000822010275 607077142 /nfs/dbraw/zinc/07/71/42/607077142.db2.gz VZTGATQTVMWVIG-UHFFFAOYSA-N -1 3 365.368 3.081 20 0 FGADHM O=C(CCc1cccc(Cl)c1)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000822982185 607077896 /nfs/dbraw/zinc/07/78/96/607077896.db2.gz BFQJLWAUZCTNOU-UHFFFAOYSA-N -1 3 360.776 3.335 20 0 FGADHM O=C(CCc1cccc(Cl)c1)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000822982185 607077898 /nfs/dbraw/zinc/07/78/98/607077898.db2.gz BFQJLWAUZCTNOU-UHFFFAOYSA-N -1 3 360.776 3.335 20 0 FGADHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000823413322 607083438 /nfs/dbraw/zinc/08/34/38/607083438.db2.gz DQQZBUFVESLLRF-ZIAGYGMSSA-N -1 3 374.322 3.131 20 0 FGADHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000823413322 607083441 /nfs/dbraw/zinc/08/34/41/607083441.db2.gz DQQZBUFVESLLRF-ZIAGYGMSSA-N -1 3 374.322 3.131 20 0 FGADHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000823413319 607083498 /nfs/dbraw/zinc/08/34/98/607083498.db2.gz DQQZBUFVESLLRF-KBPBESRZSA-N -1 3 374.322 3.131 20 0 FGADHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000823413319 607083500 /nfs/dbraw/zinc/08/35/00/607083500.db2.gz DQQZBUFVESLLRF-KBPBESRZSA-N -1 3 374.322 3.131 20 0 FGADHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000823413238 607084607 /nfs/dbraw/zinc/08/46/07/607084607.db2.gz CRMUECIJAWZTIQ-STQMWFEESA-N -1 3 374.322 3.131 20 0 FGADHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000823413238 607084608 /nfs/dbraw/zinc/08/46/08/607084608.db2.gz CRMUECIJAWZTIQ-STQMWFEESA-N -1 3 374.322 3.131 20 0 FGADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CSc1ccccc1 ZINC000821304910 607099982 /nfs/dbraw/zinc/09/99/82/607099982.db2.gz UEBQFVSHIQEJJS-UHFFFAOYSA-N -1 3 354.439 3.029 20 0 FGADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(C)c(CC)s1 ZINC000821304600 607102121 /nfs/dbraw/zinc/10/21/21/607102121.db2.gz MUMGXGNTZPJYNE-UHFFFAOYSA-N -1 3 356.455 3.483 20 0 FGADHM CC1CCC(N(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)C2CC2)CC1 ZINC000820689669 607103871 /nfs/dbraw/zinc/10/38/71/607103871.db2.gz ATVHTGWYJRJVBX-UHFFFAOYSA-N -1 3 372.448 3.259 20 0 FGADHM CC1CCC(N(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)C2CC2)CC1 ZINC000820689669 607103872 /nfs/dbraw/zinc/10/38/72/607103872.db2.gz ATVHTGWYJRJVBX-UHFFFAOYSA-N -1 3 372.448 3.259 20 0 FGADHM C[C@@]1(c2ccccc2)CN(c2cc(Cl)ccc2-c2nnn[n-]2)CCO1 ZINC000820633318 607115362 /nfs/dbraw/zinc/11/53/62/607115362.db2.gz AGVRHRMHWNBVMQ-SFHVURJKSA-N -1 3 355.829 3.272 20 0 FGADHM C[C@@]1(c2ccccc2)CN(c2cc(Cl)ccc2-c2nn[n-]n2)CCO1 ZINC000820633318 607115364 /nfs/dbraw/zinc/11/53/64/607115364.db2.gz AGVRHRMHWNBVMQ-SFHVURJKSA-N -1 3 355.829 3.272 20 0 FGADHM C[C@H]1CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C[C@H](c2ccsc2)O1 ZINC000820759341 607122981 /nfs/dbraw/zinc/12/29/81/607122981.db2.gz JLWILNUMBYUESY-MEDUHNTESA-N -1 3 359.430 3.029 20 0 FGADHM C[C@H]1CN(Cc2ccc(F)c(-c3nn[n-]n3)c2)C[C@H](c2ccsc2)O1 ZINC000820759341 607122983 /nfs/dbraw/zinc/12/29/83/607122983.db2.gz JLWILNUMBYUESY-MEDUHNTESA-N -1 3 359.430 3.029 20 0 FGADHM O=C(NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1)NC1CC=CC1 ZINC000823254533 607123489 /nfs/dbraw/zinc/12/34/89/607123489.db2.gz XSNAQHFXXLPNNO-UHFFFAOYSA-N -1 3 366.450 3.113 20 0 FGADHM Cc1coc(-c2ccc(C)c(NC(=O)c3cccc(-c4nnn[n-]4)c3)c2)n1 ZINC000822403884 607132053 /nfs/dbraw/zinc/13/20/53/607132053.db2.gz YRNVWWQOHDLJGV-UHFFFAOYSA-N -1 3 360.377 3.391 20 0 FGADHM Cc1coc(-c2ccc(C)c(NC(=O)c3cccc(-c4nn[n-]n4)c3)c2)n1 ZINC000822403884 607132055 /nfs/dbraw/zinc/13/20/55/607132055.db2.gz YRNVWWQOHDLJGV-UHFFFAOYSA-N -1 3 360.377 3.391 20 0 FGADHM Cc1cccc(C(C)C)c1NC(=O)COc1ccc(-c2nnn[n-]2)cc1F ZINC000822289154 607134679 /nfs/dbraw/zinc/13/46/79/607134679.db2.gz SNLINBLIWSWAAX-UHFFFAOYSA-N -1 3 369.400 3.455 20 0 FGADHM Cc1cccc(C(C)C)c1NC(=O)COc1ccc(-c2nn[n-]n2)cc1F ZINC000822289154 607134680 /nfs/dbraw/zinc/13/46/80/607134680.db2.gz SNLINBLIWSWAAX-UHFFFAOYSA-N -1 3 369.400 3.455 20 0 FGADHM CC(C)(C)c1ccc(NC(=O)COc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000819958054 607137078 /nfs/dbraw/zinc/13/70/78/607137078.db2.gz HJPSRTWYEMFXNM-UHFFFAOYSA-N -1 3 369.400 3.321 20 0 FGADHM CC(C)(C)c1ccc(NC(=O)COc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000819958054 607137080 /nfs/dbraw/zinc/13/70/80/607137080.db2.gz HJPSRTWYEMFXNM-UHFFFAOYSA-N -1 3 369.400 3.321 20 0 FGADHM CCCOc1cc(F)ccc1NC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000821127842 607138760 /nfs/dbraw/zinc/13/87/60/607138760.db2.gz MCORPRAOEWEGCI-UHFFFAOYSA-N -1 3 370.388 3.116 20 0 FGADHM CCCOc1cc(F)ccc1NC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000821127842 607138762 /nfs/dbraw/zinc/13/87/62/607138762.db2.gz MCORPRAOEWEGCI-UHFFFAOYSA-N -1 3 370.388 3.116 20 0 FGADHM CCCC1(CNC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)CC1 ZINC000821034502 607145466 /nfs/dbraw/zinc/14/54/66/607145466.db2.gz NRUCKCLMKISUAH-UHFFFAOYSA-N -1 3 356.474 3.367 20 0 FGADHM CCCC1(CNC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)CC1 ZINC000821034502 607145468 /nfs/dbraw/zinc/14/54/68/607145468.db2.gz NRUCKCLMKISUAH-UHFFFAOYSA-N -1 3 356.474 3.367 20 0 FGADHM Cc1sc(NC(=O)[C@@H](C)COc2ccccc2)c(-c2nnn[n-]2)c1C ZINC000822556310 607151434 /nfs/dbraw/zinc/15/14/34/607151434.db2.gz BHYHQYVLODUWBH-JTQLQIEISA-N -1 3 357.439 3.199 20 0 FGADHM Cc1sc(NC(=O)[C@@H](C)COc2ccccc2)c(-c2nn[n-]n2)c1C ZINC000822556310 607151435 /nfs/dbraw/zinc/15/14/35/607151435.db2.gz BHYHQYVLODUWBH-JTQLQIEISA-N -1 3 357.439 3.199 20 0 FGADHM Cc1ccccc1[C@H](C)OC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000822345126 607158362 /nfs/dbraw/zinc/15/83/62/607158362.db2.gz FMAYKHWDBCVQCO-KBPBESRZSA-N -1 3 352.394 3.247 20 0 FGADHM Cc1ccccc1[C@H](C)OC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000822345126 607158365 /nfs/dbraw/zinc/15/83/65/607158365.db2.gz FMAYKHWDBCVQCO-KBPBESRZSA-N -1 3 352.394 3.247 20 0 FGADHM CCC[C@H](C)[C@H]1CCCN1C(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000821014591 607164525 /nfs/dbraw/zinc/16/45/25/607164525.db2.gz JRSGZVZCQHWZHV-OFQRWUPVSA-N -1 3 357.458 3.061 20 0 FGADHM CCC[C@H](C)[C@H]1CCCN1C(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000821014591 607164526 /nfs/dbraw/zinc/16/45/26/607164526.db2.gz JRSGZVZCQHWZHV-OFQRWUPVSA-N -1 3 357.458 3.061 20 0 FGADHM CCC[C@@H](C)[C@@H]1CCCN1C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000821015691 607164540 /nfs/dbraw/zinc/16/45/40/607164540.db2.gz SLJAIXGIGJORCT-CJNGLKHVSA-N -1 3 359.499 3.386 20 0 FGADHM CCC[C@@H](C)[C@@H]1CCCN1C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000821015691 607164541 /nfs/dbraw/zinc/16/45/41/607164541.db2.gz SLJAIXGIGJORCT-CJNGLKHVSA-N -1 3 359.499 3.386 20 0 FGADHM Cc1cc(CSc2nc(-c3ccccc3)ccc2-c2nnn[n-]2)nn1C ZINC000822200961 607168999 /nfs/dbraw/zinc/16/89/99/607168999.db2.gz LBQCPBMSSCAGDE-UHFFFAOYSA-N -1 3 363.450 3.263 20 0 FGADHM Cc1cc(CSc2nc(-c3ccccc3)ccc2-c2nn[n-]n2)nn1C ZINC000822200961 607169000 /nfs/dbraw/zinc/16/90/00/607169000.db2.gz LBQCPBMSSCAGDE-UHFFFAOYSA-N -1 3 363.450 3.263 20 0 FGADHM Fc1cc(-c2nnn[n-]2)ccc1OCc1nnc(-c2ccccc2Cl)o1 ZINC000822748139 607170692 /nfs/dbraw/zinc/17/06/92/607170692.db2.gz JTRIVODSKYDTPN-UHFFFAOYSA-N -1 3 372.747 3.288 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1OCc1nnc(-c2ccccc2Cl)o1 ZINC000822748139 607170693 /nfs/dbraw/zinc/17/06/93/607170693.db2.gz JTRIVODSKYDTPN-UHFFFAOYSA-N -1 3 372.747 3.288 20 0 FGADHM CC(C)c1nnc(CNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)o1 ZINC000820206069 607171875 /nfs/dbraw/zinc/17/18/75/607171875.db2.gz CIOPBRLHINUTPR-UHFFFAOYSA-N -1 3 353.308 3.004 20 0 FGADHM CC(C)c1nnc(CNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)o1 ZINC000820206069 607171876 /nfs/dbraw/zinc/17/18/76/607171876.db2.gz CIOPBRLHINUTPR-UHFFFAOYSA-N -1 3 353.308 3.004 20 0 FGADHM O=C(Cc1c[nH]c2cc(F)ccc12)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823074276 607190500 /nfs/dbraw/zinc/19/05/00/607190500.db2.gz NZKHECIUHBIDIU-UHFFFAOYSA-N -1 3 370.775 3.322 20 0 FGADHM O=C(Cc1c[nH]c2cc(F)ccc12)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823074276 607190501 /nfs/dbraw/zinc/19/05/01/607190501.db2.gz NZKHECIUHBIDIU-UHFFFAOYSA-N -1 3 370.775 3.322 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H]1CCOC2(CCCCC2)C1 ZINC000822217893 607194314 /nfs/dbraw/zinc/19/43/14/607194314.db2.gz QTNWDOVDVYFGKJ-OAHLLOKOSA-N -1 3 370.457 3.179 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@H]1CCOC2(CCCCC2)C1 ZINC000822217893 607194315 /nfs/dbraw/zinc/19/43/15/607194315.db2.gz QTNWDOVDVYFGKJ-OAHLLOKOSA-N -1 3 370.457 3.179 20 0 FGADHM O=C(NCCCOc1ccccc1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823197295 607196199 /nfs/dbraw/zinc/19/61/99/607196199.db2.gz PGAPWQARZGHSSN-UHFFFAOYSA-N -1 3 372.816 3.111 20 0 FGADHM O=C(NCCCOc1ccccc1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823197295 607196200 /nfs/dbraw/zinc/19/62/00/607196200.db2.gz PGAPWQARZGHSSN-UHFFFAOYSA-N -1 3 372.816 3.111 20 0 FGADHM C[C@@H](NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)c1cccc(O)c1 ZINC000820374940 607200489 /nfs/dbraw/zinc/20/04/89/607200489.db2.gz UFAJDGHVLYAVRF-SECBINFHSA-N -1 3 358.789 3.108 20 0 FGADHM C[C@@H](NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)c1cccc(O)c1 ZINC000820374940 607200490 /nfs/dbraw/zinc/20/04/90/607200490.db2.gz UFAJDGHVLYAVRF-SECBINFHSA-N -1 3 358.789 3.108 20 0 FGADHM COc1cccc([C@H](C)NC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000821860160 607202703 /nfs/dbraw/zinc/20/27/03/607202703.db2.gz YFIAGZXVWYXZDG-JTQLQIEISA-N -1 3 372.816 3.411 20 0 FGADHM COc1cccc([C@H](C)NC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000821860160 607202704 /nfs/dbraw/zinc/20/27/04/607202704.db2.gz YFIAGZXVWYXZDG-JTQLQIEISA-N -1 3 372.816 3.411 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)NC1(c2cccc(F)c2)CC1 ZINC000823319827 607204985 /nfs/dbraw/zinc/20/49/85/607204985.db2.gz ZGRQBHDHBHUGPY-UHFFFAOYSA-N -1 3 372.791 3.470 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)NC1(c2cccc(F)c2)CC1 ZINC000823319827 607204986 /nfs/dbraw/zinc/20/49/86/607204986.db2.gz ZGRQBHDHBHUGPY-UHFFFAOYSA-N -1 3 372.791 3.470 20 0 FGADHM Cc1ccc(CSc2ncn(Cc3ccc(-c4nnn[n-]4)cc3)n2)cc1 ZINC000822240253 607229090 /nfs/dbraw/zinc/22/90/90/607229090.db2.gz ZJOGPYQDXBIBHC-UHFFFAOYSA-N -1 3 363.450 3.107 20 0 FGADHM Cc1ccc(CSc2ncn(Cc3ccc(-c4nn[n-]n4)cc3)n2)cc1 ZINC000822240253 607229091 /nfs/dbraw/zinc/22/90/91/607229091.db2.gz ZJOGPYQDXBIBHC-UHFFFAOYSA-N -1 3 363.450 3.107 20 0 FGADHM C[C@H](Oc1ccccc1F)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820549468 607241344 /nfs/dbraw/zinc/24/13/44/607241344.db2.gz MYWWWMYMKQCNLW-VIFPVBQESA-N -1 3 361.764 3.065 20 0 FGADHM C[C@H](Oc1ccccc1F)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820549468 607241345 /nfs/dbraw/zinc/24/13/45/607241345.db2.gz MYWWWMYMKQCNLW-VIFPVBQESA-N -1 3 361.764 3.065 20 0 FGADHM Cc1cc2ccccc2n1CC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000822212806 607242911 /nfs/dbraw/zinc/24/29/11/607242911.db2.gz IAFXSOLAXZNQOF-UHFFFAOYSA-N -1 3 366.812 3.422 20 0 FGADHM Cc1cc2ccccc2n1CC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822212806 607242912 /nfs/dbraw/zinc/24/29/12/607242912.db2.gz IAFXSOLAXZNQOF-UHFFFAOYSA-N -1 3 366.812 3.422 20 0 FGADHM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000820938182 607246682 /nfs/dbraw/zinc/24/66/82/607246682.db2.gz HHSNRNPPOPKASE-LNSITVRQSA-N -1 3 362.405 3.285 20 0 FGADHM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000820938182 607246683 /nfs/dbraw/zinc/24/66/83/607246683.db2.gz HHSNRNPPOPKASE-LNSITVRQSA-N -1 3 362.405 3.285 20 0 FGADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)c1cc(F)c(F)cc1Cl ZINC000823449699 607248878 /nfs/dbraw/zinc/24/88/78/607248878.db2.gz AGNGNBBPGODAEN-UHFFFAOYSA-N -1 3 354.675 3.157 20 0 FGADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)c1cc(F)c(F)cc1Cl ZINC000823449699 607248879 /nfs/dbraw/zinc/24/88/79/607248879.db2.gz AGNGNBBPGODAEN-UHFFFAOYSA-N -1 3 354.675 3.157 20 0 FGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)CCc1ccc(F)cc1F ZINC000824147622 607785074 /nfs/dbraw/zinc/78/50/74/607785074.db2.gz FNXMNGHUFALWTM-UHFFFAOYSA-N -1 3 374.395 3.273 20 0 FGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)CCc1ccc(F)cc1F ZINC000824147622 607785075 /nfs/dbraw/zinc/78/50/75/607785075.db2.gz FNXMNGHUFALWTM-UHFFFAOYSA-N -1 3 374.395 3.273 20 0 FGADHM Cc1cccc2c(CCC(=O)N(C)c3ccccc3-c3nnn[n-]3)c[nH]c21 ZINC000826304302 607788547 /nfs/dbraw/zinc/78/85/47/607788547.db2.gz GFQBEVMZBGWFQH-UHFFFAOYSA-N -1 3 360.421 3.252 20 0 FGADHM Cc1cccc2c(CCC(=O)N(C)c3ccccc3-c3nn[n-]n3)c[nH]c21 ZINC000826304302 607788548 /nfs/dbraw/zinc/78/85/48/607788548.db2.gz GFQBEVMZBGWFQH-UHFFFAOYSA-N -1 3 360.421 3.252 20 0 FGADHM O=C(CCc1ccc(F)cc1F)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000826408575 607791249 /nfs/dbraw/zinc/79/12/49/607791249.db2.gz MODMXTXYAWYISH-UHFFFAOYSA-N -1 3 363.755 3.370 20 0 FGADHM O=C(CCc1ccc(F)cc1F)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000826408575 607791250 /nfs/dbraw/zinc/79/12/50/607791250.db2.gz MODMXTXYAWYISH-UHFFFAOYSA-N -1 3 363.755 3.370 20 0 FGADHM O=C(c1ccc(-c2nnn[n-]2)cc1)N(CC1CCCCC1)c1ccccn1 ZINC000826472155 607792057 /nfs/dbraw/zinc/79/20/57/607792057.db2.gz ZKTLMGIKFIKEQH-UHFFFAOYSA-N -1 3 362.437 3.489 20 0 FGADHM O=C(c1ccc(-c2nn[n-]n2)cc1)N(CC1CCCCC1)c1ccccn1 ZINC000826472155 607792058 /nfs/dbraw/zinc/79/20/58/607792058.db2.gz ZKTLMGIKFIKEQH-UHFFFAOYSA-N -1 3 362.437 3.489 20 0 FGADHM CCN(C(=O)[C@@H]1C[C@@H]1c1cccc(OC)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367799 607796382 /nfs/dbraw/zinc/79/63/82/607796382.db2.gz WZWWWMARCONXBV-QZTJIDSGSA-N -1 3 363.421 3.032 20 0 FGADHM CCN(C(=O)[C@@H]1C[C@@H]1c1cccc(OC)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367799 607796383 /nfs/dbraw/zinc/79/63/83/607796383.db2.gz WZWWWMARCONXBV-QZTJIDSGSA-N -1 3 363.421 3.032 20 0 FGADHM CCN(C(=O)[C@@H](C)Cc1cccc(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825363238 607797970 /nfs/dbraw/zinc/79/79/70/607797970.db2.gz WCMXQPYLUJQION-ZDUSSCGKSA-N -1 3 353.401 3.238 20 0 FGADHM CCN(C(=O)[C@@H](C)Cc1cccc(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825363238 607797971 /nfs/dbraw/zinc/79/79/71/607797971.db2.gz WCMXQPYLUJQION-ZDUSSCGKSA-N -1 3 353.401 3.238 20 0 FGADHM CCN(C(=O)/C=C\SCc1ccco1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367407 607797994 /nfs/dbraw/zinc/79/79/94/607797994.db2.gz PHKOQVXIKATBMY-LUAWRHEFSA-N -1 3 355.423 3.260 20 0 FGADHM CCN(C(=O)/C=C\SCc1ccco1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367407 607797995 /nfs/dbraw/zinc/79/79/95/607797995.db2.gz PHKOQVXIKATBMY-LUAWRHEFSA-N -1 3 355.423 3.260 20 0 FGADHM CCN(C(=O)COc1c(C)cc(C)cc1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825371958 607798417 /nfs/dbraw/zinc/79/84/17/607798417.db2.gz OPGAUIBVWGWYQK-UHFFFAOYSA-N -1 3 365.437 3.224 20 0 FGADHM CCN(C(=O)COc1c(C)cc(C)cc1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825371958 607798418 /nfs/dbraw/zinc/79/84/18/607798418.db2.gz OPGAUIBVWGWYQK-UHFFFAOYSA-N -1 3 365.437 3.224 20 0 FGADHM CCN(C(=O)c1cnc(-c2ccco2)s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825385954 607800094 /nfs/dbraw/zinc/80/00/94/607800094.db2.gz WLENWXJWIBOKAY-UHFFFAOYSA-N -1 3 366.406 3.250 20 0 FGADHM CCN(C(=O)c1cnc(-c2ccco2)s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825385954 607800095 /nfs/dbraw/zinc/80/00/95/607800095.db2.gz WLENWXJWIBOKAY-UHFFFAOYSA-N -1 3 366.406 3.250 20 0 FGADHM CC[C@@H](Oc1ccccc1C)C(=O)N(CC)c1ccc(-c2nnn[n-]2)cc1 ZINC000825159095 607800774 /nfs/dbraw/zinc/80/07/74/607800774.db2.gz IQBQCRDSIOLUOA-QGZVFWFLSA-N -1 3 365.437 3.386 20 0 FGADHM CC[C@@H](Oc1ccccc1C)C(=O)N(CC)c1ccc(-c2nn[n-]n2)cc1 ZINC000825159095 607800775 /nfs/dbraw/zinc/80/07/75/607800775.db2.gz IQBQCRDSIOLUOA-QGZVFWFLSA-N -1 3 365.437 3.386 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H](C)Cc1ccccc1Cl ZINC000826185405 607818003 /nfs/dbraw/zinc/81/80/03/607818003.db2.gz JGVSVSCHUYBULI-NSHDSACASA-N -1 3 371.828 3.346 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H](C)Cc1ccccc1Cl ZINC000826185405 607818004 /nfs/dbraw/zinc/81/80/04/607818004.db2.gz JGVSVSCHUYBULI-NSHDSACASA-N -1 3 371.828 3.346 20 0 FGADHM CCN(C(=O)[C@H](OC)c1ccccc1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367925 607834149 /nfs/dbraw/zinc/83/41/49/607834149.db2.gz XRJSAFBCAOIZHM-KBXCAEBGSA-N -1 3 365.437 3.164 20 0 FGADHM CCN(C(=O)[C@H](OC)c1ccccc1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367925 607834150 /nfs/dbraw/zinc/83/41/50/607834150.db2.gz XRJSAFBCAOIZHM-KBXCAEBGSA-N -1 3 365.437 3.164 20 0 FGADHM Cc1c(NC(=O)N(CCc2nccs2)C(C)C)cccc1-c1nnn[n-]1 ZINC000826241509 607835973 /nfs/dbraw/zinc/83/59/73/607835973.db2.gz GCBFHKZDOOPLOU-UHFFFAOYSA-N -1 3 371.470 3.117 20 0 FGADHM Cc1c(NC(=O)N(CCc2nccs2)C(C)C)cccc1-c1nn[n-]n1 ZINC000826241509 607835974 /nfs/dbraw/zinc/83/59/74/607835974.db2.gz GCBFHKZDOOPLOU-UHFFFAOYSA-N -1 3 371.470 3.117 20 0 FGADHM Cc1nc2ccccc2n1CCNc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000826329290 607838923 /nfs/dbraw/zinc/83/89/23/607838923.db2.gz XIFOZYVIRNSSDR-UHFFFAOYSA-N -1 3 370.420 3.185 20 0 FGADHM Cc1nc2ccccc2n1CCNc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000826329290 607838924 /nfs/dbraw/zinc/83/89/24/607838924.db2.gz XIFOZYVIRNSSDR-UHFFFAOYSA-N -1 3 370.420 3.185 20 0 FGADHM COc1ccc(OC)c(CNc2ccc3cc(-c4nnn[n-]4)ccc3n2)c1 ZINC000826210994 607839589 /nfs/dbraw/zinc/83/95/89/607839589.db2.gz LUULZBYPBOXLST-UHFFFAOYSA-N -1 3 362.393 3.044 20 0 FGADHM COc1ccc(OC)c(CNc2ccc3cc(-c4nn[n-]n4)ccc3n2)c1 ZINC000826210994 607839590 /nfs/dbraw/zinc/83/95/90/607839590.db2.gz LUULZBYPBOXLST-UHFFFAOYSA-N -1 3 362.393 3.044 20 0 FGADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)Nc1cccnc1-c1ccccc1 ZINC000826422113 607856021 /nfs/dbraw/zinc/85/60/21/607856021.db2.gz MOMHHXZETCTLJC-UHFFFAOYSA-N -1 3 356.389 3.110 20 0 FGADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)Nc1cccnc1-c1ccccc1 ZINC000826422113 607856022 /nfs/dbraw/zinc/85/60/22/607856022.db2.gz MOMHHXZETCTLJC-UHFFFAOYSA-N -1 3 356.389 3.110 20 0 FGADHM CC(C)[C@H](C(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1 ZINC000824185409 607881054 /nfs/dbraw/zinc/88/10/54/607881054.db2.gz YSIALJLWUMNTBD-SFHVURJKSA-N -1 3 367.428 3.404 20 0 FGADHM CC(C)[C@H](C(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1 ZINC000824185409 607881055 /nfs/dbraw/zinc/88/10/55/607881055.db2.gz YSIALJLWUMNTBD-SFHVURJKSA-N -1 3 367.428 3.404 20 0 FGADHM C[C@H](Nc1ccc(Cl)cc1-c1nnn[n-]1)c1ccc([S@@](C)=O)cc1 ZINC000824656562 607902895 /nfs/dbraw/zinc/90/28/95/607902895.db2.gz LWCJJCVMGNVDLY-CCGUKBGLSA-N -1 3 361.858 3.431 20 0 FGADHM C[C@H](Nc1ccc(Cl)cc1-c1nn[n-]n1)c1ccc([S@@](C)=O)cc1 ZINC000824656562 607902896 /nfs/dbraw/zinc/90/28/96/607902896.db2.gz LWCJJCVMGNVDLY-CCGUKBGLSA-N -1 3 361.858 3.431 20 0 FGADHM CC(=O)c1ccc2c(c1)CCN(c1cc(Cl)ccc1-c1nnn[n-]1)CC2 ZINC000824029284 607903686 /nfs/dbraw/zinc/90/36/86/607903686.db2.gz IPYKJJVRDYLLSH-UHFFFAOYSA-N -1 3 367.840 3.328 20 0 FGADHM CC(=O)c1ccc2c(c1)CCN(c1cc(Cl)ccc1-c1nn[n-]n1)CC2 ZINC000824029284 607903687 /nfs/dbraw/zinc/90/36/87/607903687.db2.gz IPYKJJVRDYLLSH-UHFFFAOYSA-N -1 3 367.840 3.328 20 0 FGADHM CC(C)[C@H](C(=O)OCc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1 ZINC000824185148 607917860 /nfs/dbraw/zinc/91/78/60/607917860.db2.gz RUBQCFPHOKJOSV-KRWDZBQOSA-N -1 3 354.385 3.489 20 0 FGADHM CC(C)[C@H](C(=O)OCc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1 ZINC000824185148 607917861 /nfs/dbraw/zinc/91/78/61/607917861.db2.gz RUBQCFPHOKJOSV-KRWDZBQOSA-N -1 3 354.385 3.489 20 0 FGADHM CC(C)Oc1cccc(CN(C)Cc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000824333507 607925883 /nfs/dbraw/zinc/92/58/83/607925883.db2.gz KSCFJFVQCBDYLV-UHFFFAOYSA-N -1 3 355.417 3.425 20 0 FGADHM CC(C)Oc1cccc(CN(C)Cc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000824333507 607925884 /nfs/dbraw/zinc/92/58/84/607925884.db2.gz KSCFJFVQCBDYLV-UHFFFAOYSA-N -1 3 355.417 3.425 20 0 FGADHM S=C(Nc1ccc(Cl)cc1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826511843 607930659 /nfs/dbraw/zinc/93/06/59/607930659.db2.gz GXRVBOVIAOMAAZ-UHFFFAOYSA-N -1 3 356.842 3.280 20 0 FGADHM S=C(Nc1ccc(Cl)cc1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826511843 607930660 /nfs/dbraw/zinc/93/06/60/607930660.db2.gz GXRVBOVIAOMAAZ-UHFFFAOYSA-N -1 3 356.842 3.280 20 0 FGADHM Cc1cc(C(=O)N(C)c2cccc(-c3nnn[n-]3)c2)ccc1Br ZINC000826257830 607934304 /nfs/dbraw/zinc/93/43/04/607934304.db2.gz PUQNYVDDJNAJPH-UHFFFAOYSA-N -1 3 372.226 3.214 20 0 FGADHM Cc1cc(C(=O)N(C)c2cccc(-c3nn[n-]n3)c2)ccc1Br ZINC000826257830 607934305 /nfs/dbraw/zinc/93/43/05/607934305.db2.gz PUQNYVDDJNAJPH-UHFFFAOYSA-N -1 3 372.226 3.214 20 0 FGADHM CCC(=O)c1cc(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)ccc1F ZINC000825034194 607940179 /nfs/dbraw/zinc/94/01/79/607940179.db2.gz GHPGRABMURDRKO-LLVKDONJSA-N -1 3 367.384 3.090 20 0 FGADHM CCC(=O)c1cc(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)ccc1F ZINC000825034194 607940180 /nfs/dbraw/zinc/94/01/80/607940180.db2.gz GHPGRABMURDRKO-LLVKDONJSA-N -1 3 367.384 3.090 20 0 FGADHM Cc1ccc(C)c(SCC(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)c1 ZINC000826285385 607946364 /nfs/dbraw/zinc/94/63/64/607946364.db2.gz YKWBNKFBIOEEGB-UHFFFAOYSA-N -1 3 365.462 3.165 20 0 FGADHM Cc1ccc(C)c(SCC(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)c1 ZINC000826285385 607946365 /nfs/dbraw/zinc/94/63/65/607946365.db2.gz YKWBNKFBIOEEGB-UHFFFAOYSA-N -1 3 365.462 3.165 20 0 FGADHM C[C@@]1(C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)CCCc2ccccc21 ZINC000824784223 607947118 /nfs/dbraw/zinc/94/71/18/607947118.db2.gz PDWURGNEKVIIIL-OAQYLSRUSA-N -1 3 359.433 3.050 20 0 FGADHM C[C@@]1(C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)CCCc2ccccc21 ZINC000824784223 607947119 /nfs/dbraw/zinc/94/71/19/607947119.db2.gz PDWURGNEKVIIIL-OAQYLSRUSA-N -1 3 359.433 3.050 20 0 FGADHM Cc1ccc(C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)cc1-n1cccc1 ZINC000826282107 607953542 /nfs/dbraw/zinc/95/35/42/607953542.db2.gz YFTJDTAQDOBWNW-UHFFFAOYSA-N -1 3 370.416 3.169 20 0 FGADHM Cc1ccc(C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)cc1-n1cccc1 ZINC000826282107 607953543 /nfs/dbraw/zinc/95/35/43/607953543.db2.gz YFTJDTAQDOBWNW-UHFFFAOYSA-N -1 3 370.416 3.169 20 0 FGADHM O=C(C=Cc1ccc(Cl)nc1)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826400304 607967400 /nfs/dbraw/zinc/96/74/00/607967400.db2.gz VDFGEYIVMOKZDY-QHHAFSJGSA-N -1 3 361.192 3.220 20 0 FGADHM O=C(C=Cc1ccc(Cl)nc1)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826400304 607967401 /nfs/dbraw/zinc/96/74/01/607967401.db2.gz VDFGEYIVMOKZDY-QHHAFSJGSA-N -1 3 361.192 3.220 20 0 FGADHM CCC[C@H]1CN(c2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)CCO1 ZINC000825260398 607969722 /nfs/dbraw/zinc/96/97/22/607969722.db2.gz OZNWSXDDPFXDBF-LBPRGKRZSA-N -1 3 358.833 3.074 20 0 FGADHM CCC[C@H]1CN(c2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)CCO1 ZINC000825260398 607969723 /nfs/dbraw/zinc/96/97/23/607969723.db2.gz OZNWSXDDPFXDBF-LBPRGKRZSA-N -1 3 358.833 3.074 20 0 FGADHM O=C(OCCCOc1cccc(-c2nnn[n-]2)c1)C1CCC(F)(F)CC1 ZINC000826463848 607977798 /nfs/dbraw/zinc/97/77/98/607977798.db2.gz XFSWFECSFJYSHD-UHFFFAOYSA-N -1 3 366.368 3.004 20 0 FGADHM O=C(OCCCOc1cccc(-c2nn[n-]n2)c1)C1CCC(F)(F)CC1 ZINC000826463848 607977799 /nfs/dbraw/zinc/97/77/99/607977799.db2.gz XFSWFECSFJYSHD-UHFFFAOYSA-N -1 3 366.368 3.004 20 0 FGADHM COc1cc(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)ccc1Cl ZINC000826177023 607986448 /nfs/dbraw/zinc/98/64/48/607986448.db2.gz OEHGGUMFGBECJL-SNVBAGLBSA-N -1 3 357.801 3.020 20 0 FGADHM COc1cc(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)ccc1Cl ZINC000826177023 607986449 /nfs/dbraw/zinc/98/64/49/607986449.db2.gz OEHGGUMFGBECJL-SNVBAGLBSA-N -1 3 357.801 3.020 20 0 FGADHM COc1cc(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)ccc1Cl ZINC000826177022 607986592 /nfs/dbraw/zinc/98/65/92/607986592.db2.gz OEHGGUMFGBECJL-JTQLQIEISA-N -1 3 357.801 3.020 20 0 FGADHM COc1cc(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)ccc1Cl ZINC000826177022 607986593 /nfs/dbraw/zinc/98/65/93/607986593.db2.gz OEHGGUMFGBECJL-JTQLQIEISA-N -1 3 357.801 3.020 20 0 FGADHM CSCC[C@@H](C)N(C)c1ccc(-c2nn[n-]n2)cc1Br ZINC000826228110 607991074 /nfs/dbraw/zinc/99/10/74/607991074.db2.gz FDOLJRZKJPSTRO-SECBINFHSA-N -1 3 356.293 3.207 20 0 FGADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCC2)C1CCC(F)(F)CC1 ZINC000826460449 608000429 /nfs/dbraw/zinc/00/04/29/608000429.db2.gz CXDCJEVIUVFXTO-UHFFFAOYSA-N -1 3 353.398 3.181 20 0 FGADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCC2)C1CCC(F)(F)CC1 ZINC000826460449 608000430 /nfs/dbraw/zinc/00/04/30/608000430.db2.gz CXDCJEVIUVFXTO-UHFFFAOYSA-N -1 3 353.398 3.181 20 0 FGADHM Cc1nc(Cl)ccc1CC(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826326852 608015322 /nfs/dbraw/zinc/01/53/22/608015322.db2.gz HKRSLHJSPYANFO-LLVKDONJSA-N -1 3 357.801 3.070 20 0 FGADHM Cc1nc(Cl)ccc1CC(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826326852 608015323 /nfs/dbraw/zinc/01/53/23/608015323.db2.gz HKRSLHJSPYANFO-LLVKDONJSA-N -1 3 357.801 3.070 20 0 FGADHM Cn1c2cc(Br)ccc2nc1-c1cccc(-c2nnn[n-]2)c1 ZINC000826354817 608015791 /nfs/dbraw/zinc/01/57/91/608015791.db2.gz WKDWWZZULNMSFG-UHFFFAOYSA-N -1 3 355.199 3.183 20 0 FGADHM Cn1c2cc(Br)ccc2nc1-c1cccc(-c2nn[n-]n2)c1 ZINC000826354817 608015792 /nfs/dbraw/zinc/01/57/92/608015792.db2.gz WKDWWZZULNMSFG-UHFFFAOYSA-N -1 3 355.199 3.183 20 0 FGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N1CCc2ccsc2C1 ZINC000824147695 608022315 /nfs/dbraw/zinc/02/23/15/608022315.db2.gz HBIFPHGFKFAZJZ-UHFFFAOYSA-N -1 3 371.470 3.075 20 0 FGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N1CCc2ccsc2C1 ZINC000824147695 608022316 /nfs/dbraw/zinc/02/23/16/608022316.db2.gz HBIFPHGFKFAZJZ-UHFFFAOYSA-N -1 3 371.470 3.075 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N1CCc2ccsc2C1 ZINC000826452742 608032224 /nfs/dbraw/zinc/03/22/24/608032224.db2.gz GIIKNXXTBILJEY-UHFFFAOYSA-N -1 3 360.830 3.172 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N1CCc2ccsc2C1 ZINC000826452742 608032225 /nfs/dbraw/zinc/03/22/25/608032225.db2.gz GIIKNXXTBILJEY-UHFFFAOYSA-N -1 3 360.830 3.172 20 0 FGADHM C[C@H](NC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1)c1ccc[nH]1 ZINC000824522302 608038343 /nfs/dbraw/zinc/03/83/43/608038343.db2.gz QNAKDWTVQIFNAL-ZDUSSCGKSA-N -1 3 373.420 3.429 20 0 FGADHM O=C(NC1CC1)c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000826428935 608047607 /nfs/dbraw/zinc/04/76/07/608047607.db2.gz PSTMCIHLHIVOSI-UHFFFAOYSA-N -1 3 355.785 3.205 20 0 FGADHM O=C(NC1CC1)c1ccc(Oc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000826428935 608047608 /nfs/dbraw/zinc/04/76/08/608047608.db2.gz PSTMCIHLHIVOSI-UHFFFAOYSA-N -1 3 355.785 3.205 20 0 FGADHM Brc1cc(-c2nn[n-]n2)ccc1N1CC[C@@H](c2ccco2)C1 ZINC000823826481 608049910 /nfs/dbraw/zinc/04/99/10/608049910.db2.gz JWNIVRQAWADVHR-LLVKDONJSA-N -1 3 360.215 3.216 20 0 FGADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)cc1Br)c1ccncc1 ZINC000824429865 608050632 /nfs/dbraw/zinc/05/06/32/608050632.db2.gz ZTMYGMDRBUMLLV-JTQLQIEISA-N -1 3 359.231 3.240 20 0 FGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)Oc1ccc(Cl)c(F)c1 ZINC000826420809 608074229 /nfs/dbraw/zinc/07/42/29/608074229.db2.gz DLLPTGTVKWRKRB-UHFFFAOYSA-N -1 3 364.789 3.357 20 0 FGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)Oc1ccc(Cl)c(F)c1 ZINC000826420809 608074230 /nfs/dbraw/zinc/07/42/30/608074230.db2.gz DLLPTGTVKWRKRB-UHFFFAOYSA-N -1 3 364.789 3.357 20 0 FGADHM O[C@@H](CNc1c(F)cc(-c2nnn[n-]2)cc1F)c1ccc(Cl)c(F)c1 ZINC000826503467 608099759 /nfs/dbraw/zinc/09/97/59/608099759.db2.gz YMYSIWKKASLCFE-ZDUSSCGKSA-N -1 3 369.734 3.083 20 0 FGADHM O[C@@H](CNc1c(F)cc(-c2nn[n-]n2)cc1F)c1ccc(Cl)c(F)c1 ZINC000826503467 608099760 /nfs/dbraw/zinc/09/97/60/608099760.db2.gz YMYSIWKKASLCFE-ZDUSSCGKSA-N -1 3 369.734 3.083 20 0 FGADHM CC[C@@H](C)n1ncc(NC(=O)c2cc(-c3nnn[n-]3)cs2)c1C1CC1 ZINC000825081125 608102654 /nfs/dbraw/zinc/10/26/54/608102654.db2.gz GOBKTBGQRUXDCA-SECBINFHSA-N -1 3 357.443 3.225 20 0 FGADHM CC[C@@H](C)n1ncc(NC(=O)c2cc(-c3nn[n-]n3)cs2)c1C1CC1 ZINC000825081125 608102655 /nfs/dbraw/zinc/10/26/55/608102655.db2.gz GOBKTBGQRUXDCA-SECBINFHSA-N -1 3 357.443 3.225 20 0 FGADHM Cc1cc(Oc2ccc(-c3nnn[n-]3)cc2)ccc1NC(=O)[C@@H]1CCCO1 ZINC000826272169 608114944 /nfs/dbraw/zinc/11/49/44/608114944.db2.gz XDZGSHMYVQCWEE-KRWDZBQOSA-N -1 3 365.393 3.085 20 0 FGADHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1NC(=O)[C@@H]1CCCO1 ZINC000826272169 608114945 /nfs/dbraw/zinc/11/49/45/608114945.db2.gz XDZGSHMYVQCWEE-KRWDZBQOSA-N -1 3 365.393 3.085 20 0 FGADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cc(F)c(Cl)cc1F ZINC000825958408 608115862 /nfs/dbraw/zinc/11/58/62/608115862.db2.gz VNQGQYAOYORZOD-UHFFFAOYSA-N -1 3 363.755 3.071 20 0 FGADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cc(F)c(Cl)cc1F ZINC000825958408 608115863 /nfs/dbraw/zinc/11/58/63/608115863.db2.gz VNQGQYAOYORZOD-UHFFFAOYSA-N -1 3 363.755 3.071 20 0 FGADHM CCC[C@@H](C(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1)C(C)C ZINC000825226182 608120655 /nfs/dbraw/zinc/12/06/55/608120655.db2.gz YVKWUVZJYWHMAK-GOSISDBHSA-N -1 3 371.485 3.309 20 0 FGADHM CCC[C@@H](C(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1)C(C)C ZINC000825226182 608120656 /nfs/dbraw/zinc/12/06/56/608120656.db2.gz YVKWUVZJYWHMAK-GOSISDBHSA-N -1 3 371.485 3.309 20 0 FGADHM Brc1ccc([C@@H]2CCCN2c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000823826442 608122585 /nfs/dbraw/zinc/12/25/85/608122585.db2.gz JDYLIGSAFNNMDU-HNNXBMFYSA-N -1 3 371.242 3.366 20 0 FGADHM Brc1ccc([C@@H]2CCCN2c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000823826442 608122586 /nfs/dbraw/zinc/12/25/86/608122586.db2.gz JDYLIGSAFNNMDU-HNNXBMFYSA-N -1 3 371.242 3.366 20 0 FGADHM O=C(O[C@@H]1CCOc2c(Cl)cccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000826463113 608128666 /nfs/dbraw/zinc/12/86/66/608128666.db2.gz TXGVQPUNNMDICG-CQSZACIVSA-N -1 3 356.769 3.201 20 0 FGADHM O=C(O[C@@H]1CCOc2c(Cl)cccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000826463113 608128667 /nfs/dbraw/zinc/12/86/67/608128667.db2.gz TXGVQPUNNMDICG-CQSZACIVSA-N -1 3 356.769 3.201 20 0 FGADHM CCc1ccc(CNc2cc(-c3nnn[n-]3)ccc2OCCOC)s1 ZINC000825711536 608135762 /nfs/dbraw/zinc/13/57/62/608135762.db2.gz FBCSGYHVKNQYHJ-UHFFFAOYSA-N -1 3 359.455 3.128 20 0 FGADHM CCc1ccc(CNc2cc(-c3nn[n-]n3)ccc2OCCOC)s1 ZINC000825711536 608135763 /nfs/dbraw/zinc/13/57/63/608135763.db2.gz FBCSGYHVKNQYHJ-UHFFFAOYSA-N -1 3 359.455 3.128 20 0 FGADHM Cc1cc([C@H]2CN(c3ccc(-c4nn[n-]n4)cc3F)CCO2)ccc1F ZINC000826266642 608151637 /nfs/dbraw/zinc/15/16/37/608151637.db2.gz WQQAMHAGVXNFHP-QGZVFWFLSA-N -1 3 357.364 3.031 20 0 FGADHM CCOC(=O)Nc1ccc(OCc2cc(-c3nnn[n-]3)ccc2OC)cc1 ZINC000825553200 608151663 /nfs/dbraw/zinc/15/16/63/608151663.db2.gz MNNLPMVUYNTDRU-UHFFFAOYSA-N -1 3 369.381 3.023 20 0 FGADHM CCOC(=O)Nc1ccc(OCc2cc(-c3nn[n-]n3)ccc2OC)cc1 ZINC000825553200 608151664 /nfs/dbraw/zinc/15/16/64/608151664.db2.gz MNNLPMVUYNTDRU-UHFFFAOYSA-N -1 3 369.381 3.023 20 0 FGADHM C[C@@H]1OCC[C@H]1C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000825022035 608155176 /nfs/dbraw/zinc/15/51/76/608155176.db2.gz VUZWXLCREYERSR-SWLSCSKDSA-N -1 3 365.393 3.023 20 0 FGADHM C[C@@H]1OCC[C@H]1C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000825022035 608155178 /nfs/dbraw/zinc/15/51/78/608155178.db2.gz VUZWXLCREYERSR-SWLSCSKDSA-N -1 3 365.393 3.023 20 0 FGADHM C[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000825022037 608155396 /nfs/dbraw/zinc/15/53/96/608155396.db2.gz VUZWXLCREYERSR-WFASDCNBSA-N -1 3 365.393 3.023 20 0 FGADHM C[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000825022037 608155397 /nfs/dbraw/zinc/15/53/97/608155397.db2.gz VUZWXLCREYERSR-WFASDCNBSA-N -1 3 365.393 3.023 20 0 FGADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2ncccc2C(F)(F)F)s1 ZINC000825693965 608155899 /nfs/dbraw/zinc/15/58/99/608155899.db2.gz IQYUTWHKHQFWNM-UHFFFAOYSA-N -1 3 368.344 3.157 20 0 FGADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2ncccc2C(F)(F)F)s1 ZINC000825693965 608155901 /nfs/dbraw/zinc/15/59/01/608155901.db2.gz IQYUTWHKHQFWNM-UHFFFAOYSA-N -1 3 368.344 3.157 20 0 FGADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)c1ccc(C)cc1C ZINC000825793345 608174443 /nfs/dbraw/zinc/17/44/43/608174443.db2.gz RESLNTHQSFYPSU-UHFFFAOYSA-N -1 3 361.409 3.105 20 0 FGADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)c1ccc(C)cc1C ZINC000825793345 608174445 /nfs/dbraw/zinc/17/44/45/608174445.db2.gz RESLNTHQSFYPSU-UHFFFAOYSA-N -1 3 361.409 3.105 20 0 FGADHM CCOc1c(F)cccc1C(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000825605078 608184018 /nfs/dbraw/zinc/18/40/18/608184018.db2.gz PMAAVFBZNXAJNH-NSHDSACASA-N -1 3 356.357 3.323 20 0 FGADHM CCOc1c(F)cccc1C(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000825605078 608184020 /nfs/dbraw/zinc/18/40/20/608184020.db2.gz PMAAVFBZNXAJNH-NSHDSACASA-N -1 3 356.357 3.323 20 0 FGADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)O[C@@H](C)c1ccco1 ZINC000824206693 608190708 /nfs/dbraw/zinc/19/07/08/608190708.db2.gz GRRWIRAEWRWBIO-LRDDRELGSA-N -1 3 356.382 3.168 20 0 FGADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)O[C@@H](C)c1ccco1 ZINC000824206693 608190709 /nfs/dbraw/zinc/19/07/09/608190709.db2.gz GRRWIRAEWRWBIO-LRDDRELGSA-N -1 3 356.382 3.168 20 0 FGADHM C[C@@H](OC(=O)C=Cc1ccnc(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824714525 608196312 /nfs/dbraw/zinc/19/63/12/608196312.db2.gz NSWKKLWURZCLER-MVIFTORASA-N -1 3 355.785 3.233 20 0 FGADHM C[C@@H](OC(=O)C=Cc1ccnc(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824714525 608196314 /nfs/dbraw/zinc/19/63/14/608196314.db2.gz NSWKKLWURZCLER-MVIFTORASA-N -1 3 355.785 3.233 20 0 FGADHM CC1CCC(NC(=O)CSc2cccc(Cl)c2-c2nnn[n-]2)CC1 ZINC000824919713 608206977 /nfs/dbraw/zinc/20/69/77/608206977.db2.gz XIVDTDNRSKMBDW-UHFFFAOYSA-N -1 3 365.890 3.307 20 0 FGADHM CC1CCC(NC(=O)CSc2cccc(Cl)c2-c2nn[n-]n2)CC1 ZINC000824919713 608206978 /nfs/dbraw/zinc/20/69/78/608206978.db2.gz XIVDTDNRSKMBDW-UHFFFAOYSA-N -1 3 365.890 3.307 20 0 FGADHM Fc1ccccc1OCCCNc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000826378388 608222608 /nfs/dbraw/zinc/22/26/08/608222608.db2.gz HRJCDMNJWZAZQX-UHFFFAOYSA-N -1 3 364.384 3.435 20 0 FGADHM Fc1ccccc1OCCCNc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000826378388 608222610 /nfs/dbraw/zinc/22/26/10/608222610.db2.gz HRJCDMNJWZAZQX-UHFFFAOYSA-N -1 3 364.384 3.435 20 0 FGADHM C[C@H](NC(=O)C=Cc1ccc2[nH]ccc2c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824479420 608228072 /nfs/dbraw/zinc/22/80/72/608228072.db2.gz NEJQRMJVNZNKCN-YMSVAJCUSA-N -1 3 358.405 3.239 20 0 FGADHM C[C@H](NC(=O)C=Cc1ccc2[nH]ccc2c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824479420 608228073 /nfs/dbraw/zinc/22/80/73/608228073.db2.gz NEJQRMJVNZNKCN-YMSVAJCUSA-N -1 3 358.405 3.239 20 0 FGADHM CCc1cnc(CN(C)c2ccc3cc(-c4nnn[n-]4)ccc3n2)s1 ZINC000825733368 608232102 /nfs/dbraw/zinc/23/21/02/608232102.db2.gz DODDYIOLBHXIDK-UHFFFAOYSA-N -1 3 351.439 3.070 20 0 FGADHM CCc1cnc(CN(C)c2ccc3cc(-c4nn[n-]n4)ccc3n2)s1 ZINC000825733368 608232104 /nfs/dbraw/zinc/23/21/04/608232104.db2.gz DODDYIOLBHXIDK-UHFFFAOYSA-N -1 3 351.439 3.070 20 0 FGADHM CCOCCC1(CNc2ccc3cc(-c4nnn[n-]4)ccc3n2)CCC1 ZINC000825590289 608233241 /nfs/dbraw/zinc/23/32/41/608233241.db2.gz SHVZFLWHLSJEND-UHFFFAOYSA-N -1 3 352.442 3.424 20 0 FGADHM CCOCCC1(CNc2ccc3cc(-c4nn[n-]n4)ccc3n2)CCC1 ZINC000825590289 608233243 /nfs/dbraw/zinc/23/32/43/608233243.db2.gz SHVZFLWHLSJEND-UHFFFAOYSA-N -1 3 352.442 3.424 20 0 FGADHM c1cc2nc(N3CCOC4(C3)CCCCCC4)ccc2cc1-c1nnn[n-]1 ZINC000826518823 608233654 /nfs/dbraw/zinc/23/36/54/608233654.db2.gz YWFVBJKYZDGTFG-UHFFFAOYSA-N -1 3 364.453 3.345 20 0 FGADHM c1cc2nc(N3CCOC4(C3)CCCCCC4)ccc2cc1-c1nn[n-]n1 ZINC000826518823 608233656 /nfs/dbraw/zinc/23/36/56/608233656.db2.gz YWFVBJKYZDGTFG-UHFFFAOYSA-N -1 3 364.453 3.345 20 0 FGADHM COc1ccc([C@@H](OC)[C@H](C)Nc2ncc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000826190095 608239705 /nfs/dbraw/zinc/23/97/05/608239705.db2.gz POYVZBQYHBVURW-BONVTDFDSA-N -1 3 374.832 3.112 20 0 FGADHM COc1ccc([C@@H](OC)[C@H](C)Nc2ncc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000826190095 608239706 /nfs/dbraw/zinc/23/97/06/608239706.db2.gz POYVZBQYHBVURW-BONVTDFDSA-N -1 3 374.832 3.112 20 0 FGADHM CCc1ccc(C2=CCN(C(=O)c3cc(-c4nnn[n-]4)cs3)CC2)cc1 ZINC000825704002 608246589 /nfs/dbraw/zinc/24/65/89/608246589.db2.gz AZOXCWMILIOIPP-UHFFFAOYSA-N -1 3 365.462 3.420 20 0 FGADHM CCc1ccc(C2=CCN(C(=O)c3cc(-c4nn[n-]n4)cs3)CC2)cc1 ZINC000825704002 608246591 /nfs/dbraw/zinc/24/65/91/608246591.db2.gz AZOXCWMILIOIPP-UHFFFAOYSA-N -1 3 365.462 3.420 20 0 FGADHM O=C(C=Cc1ccc2[nH]ccc2c1)OCc1ccc(-c2nnn[n-]2)cc1F ZINC000826401282 608252859 /nfs/dbraw/zinc/25/28/59/608252859.db2.gz UQWCZKBVVYTIDU-KXFIGUGUSA-N -1 3 363.352 3.244 20 0 FGADHM O=C(C=Cc1ccc2[nH]ccc2c1)OCc1ccc(-c2nn[n-]n2)cc1F ZINC000826401282 608252862 /nfs/dbraw/zinc/25/28/62/608252862.db2.gz UQWCZKBVVYTIDU-KXFIGUGUSA-N -1 3 363.352 3.244 20 0 FGADHM CCc1cccnc1C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000825728205 608263728 /nfs/dbraw/zinc/26/37/28/608263728.db2.gz KRKBHYCXZIBPJX-UHFFFAOYSA-N -1 3 354.439 3.017 20 0 FGADHM CCc1cccnc1C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000825728205 608263731 /nfs/dbraw/zinc/26/37/31/608263731.db2.gz KRKBHYCXZIBPJX-UHFFFAOYSA-N -1 3 354.439 3.017 20 0 FGADHM COc1ccc(OCCSCc2ccc(-c3nnn[n-]3)cc2OC)cc1 ZINC000826211738 608264931 /nfs/dbraw/zinc/26/49/31/608264931.db2.gz SABBTIRINYQZIQ-UHFFFAOYSA-N -1 3 372.450 3.196 20 0 FGADHM COc1ccc(OCCSCc2ccc(-c3nn[n-]n3)cc2OC)cc1 ZINC000826211738 608264934 /nfs/dbraw/zinc/26/49/34/608264934.db2.gz SABBTIRINYQZIQ-UHFFFAOYSA-N -1 3 372.450 3.196 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)c(N[C@@H](C)c2nc3ccccc3n2C(F)F)n1 ZINC000826274856 608271221 /nfs/dbraw/zinc/27/12/21/608271221.db2.gz HFFPKVNJRULGSI-JTQLQIEISA-N -1 3 370.367 3.488 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)c(N[C@@H](C)c2nc3ccccc3n2C(F)F)n1 ZINC000826274856 608271222 /nfs/dbraw/zinc/27/12/22/608271222.db2.gz HFFPKVNJRULGSI-JTQLQIEISA-N -1 3 370.367 3.488 20 0 FGADHM CCN(C(=O)Cc1ccc(C)c(O)c1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825377193 608280152 /nfs/dbraw/zinc/28/01/52/608280152.db2.gz WKTVTCAXHKZAMC-AWEZNQCLSA-N -1 3 365.437 3.033 20 0 FGADHM CCN(C(=O)Cc1ccc(C)c(O)c1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825377193 608280155 /nfs/dbraw/zinc/28/01/55/608280155.db2.gz WKTVTCAXHKZAMC-AWEZNQCLSA-N -1 3 365.437 3.033 20 0 FGADHM c1c2c(nc(N3CCC(OC4CCCC4)CC3)c1-c1nnn[n-]1)CCCC2 ZINC000826512270 608280853 /nfs/dbraw/zinc/28/08/53/608280853.db2.gz VDTTVEIVHWXMHN-UHFFFAOYSA-N -1 3 368.485 3.069 20 0 FGADHM c1c2c(nc(N3CCC(OC4CCCC4)CC3)c1-c1nn[n-]n1)CCCC2 ZINC000826512270 608280855 /nfs/dbraw/zinc/28/08/55/608280855.db2.gz VDTTVEIVHWXMHN-UHFFFAOYSA-N -1 3 368.485 3.069 20 0 FGADHM Brc1ccc(OCc2cnoc2C2CC2)c(-c2nnn[n-]2)c1 ZINC000823832687 608290367 /nfs/dbraw/zinc/29/03/67/608290367.db2.gz SRQKVKGLCAWSCR-UHFFFAOYSA-N -1 3 362.187 3.074 20 0 FGADHM Brc1ccc(OCc2cnoc2C2CC2)c(-c2nn[n-]n2)c1 ZINC000823832687 608290369 /nfs/dbraw/zinc/29/03/69/608290369.db2.gz SRQKVKGLCAWSCR-UHFFFAOYSA-N -1 3 362.187 3.074 20 0 FGADHM CCCCn1cc(CNc2nc3ccccc3cc2-c2nnn[n-]2)c(C)n1 ZINC000825301500 608294232 /nfs/dbraw/zinc/29/42/32/608294232.db2.gz MOCGTSWZJIVKNN-UHFFFAOYSA-N -1 3 362.441 3.332 20 0 FGADHM CCCCn1cc(CNc2nc3ccccc3cc2-c2nn[n-]n2)c(C)n1 ZINC000825301500 608294233 /nfs/dbraw/zinc/29/42/33/608294233.db2.gz MOCGTSWZJIVKNN-UHFFFAOYSA-N -1 3 362.441 3.332 20 0 FGADHM O=C(C=Cc1ccco1)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000826403393 608305718 /nfs/dbraw/zinc/30/57/18/608305718.db2.gz QTBROOGGLRJVDY-QXMHVHEDSA-N -1 3 371.400 3.456 20 0 FGADHM O=C(C=Cc1ccco1)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000826403393 608305720 /nfs/dbraw/zinc/30/57/20/608305720.db2.gz QTBROOGGLRJVDY-QXMHVHEDSA-N -1 3 371.400 3.456 20 0 FGADHM C[C@H](NC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1)c1cccc(F)c1F ZINC000824490885 608314544 /nfs/dbraw/zinc/31/45/44/608314544.db2.gz QUOIYRAIGDSXON-NSHDSACASA-N -1 3 372.379 3.048 20 0 FGADHM C[C@H](NC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1)c1cccc(F)c1F ZINC000824490885 608314548 /nfs/dbraw/zinc/31/45/48/608314548.db2.gz QUOIYRAIGDSXON-NSHDSACASA-N -1 3 372.379 3.048 20 0 FGADHM O=C(CC(F)(F)F)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000826404405 608328236 /nfs/dbraw/zinc/32/82/36/608328236.db2.gz ZMDGLFUBXQVDHT-UHFFFAOYSA-N -1 3 361.327 3.102 20 0 FGADHM O=C(CC(F)(F)F)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000826404405 608328239 /nfs/dbraw/zinc/32/82/39/608328239.db2.gz ZMDGLFUBXQVDHT-UHFFFAOYSA-N -1 3 361.327 3.102 20 0 FGADHM CCc1cnccc1[C@H](C)NC(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000825735655 608337483 /nfs/dbraw/zinc/33/74/83/608337483.db2.gz SDVLKJMWUQMZIU-LBPRGKRZSA-N -1 3 351.414 3.015 20 0 FGADHM CCc1cnccc1[C@H](C)NC(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000825735655 608337485 /nfs/dbraw/zinc/33/74/85/608337485.db2.gz SDVLKJMWUQMZIU-LBPRGKRZSA-N -1 3 351.414 3.015 20 0 FGADHM CCc1cnccc1[C@H](C)NC(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000825733646 608339255 /nfs/dbraw/zinc/33/92/55/608339255.db2.gz HMNNAIHPTQOJJY-LBPRGKRZSA-N -1 3 351.414 3.015 20 0 FGADHM CCc1cnccc1[C@H](C)NC(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000825733646 608339257 /nfs/dbraw/zinc/33/92/57/608339257.db2.gz HMNNAIHPTQOJJY-LBPRGKRZSA-N -1 3 351.414 3.015 20 0 FGADHM CCN(C(=O)CCCc1ccccn1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825371530 608343847 /nfs/dbraw/zinc/34/38/47/608343847.db2.gz HPOPRUNSOHWMIM-UHFFFAOYSA-N -1 3 370.844 3.291 20 0 FGADHM CCN(C(=O)CCCc1ccccn1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825371530 608343849 /nfs/dbraw/zinc/34/38/49/608343849.db2.gz HPOPRUNSOHWMIM-UHFFFAOYSA-N -1 3 370.844 3.291 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)c1sccc1C1CC1 ZINC000826173082 608350491 /nfs/dbraw/zinc/35/04/91/608350491.db2.gz MHACNELDFZSUDF-UHFFFAOYSA-N -1 3 356.407 3.171 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)c1sccc1C1CC1 ZINC000826173082 608350492 /nfs/dbraw/zinc/35/04/92/608350492.db2.gz MHACNELDFZSUDF-UHFFFAOYSA-N -1 3 356.407 3.171 20 0 FGADHM COc1ccccc1CN(Cc1ccc(-c2nnn[n-]2)cc1OC)C1CC1 ZINC000826219496 608355196 /nfs/dbraw/zinc/35/51/96/608355196.db2.gz DZHGPRZSZGOGFP-UHFFFAOYSA-N -1 3 365.437 3.049 20 0 FGADHM COc1ccccc1CN(Cc1ccc(-c2nn[n-]n2)cc1OC)C1CC1 ZINC000826219496 608355198 /nfs/dbraw/zinc/35/51/98/608355198.db2.gz DZHGPRZSZGOGFP-UHFFFAOYSA-N -1 3 365.437 3.049 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1CN1CCCC[C@H]1c1nccs1 ZINC000826169163 608356720 /nfs/dbraw/zinc/35/67/20/608356720.db2.gz KCNGOQDXFUNORG-AWEZNQCLSA-N -1 3 356.455 3.059 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1CN1CCCC[C@H]1c1nccs1 ZINC000826169163 608356722 /nfs/dbraw/zinc/35/67/22/608356722.db2.gz KCNGOQDXFUNORG-AWEZNQCLSA-N -1 3 356.455 3.059 20 0 FGADHM C[C@@H](O)c1ccc(CNc2ccc(-c3nn[n-]n3)cc2Br)cc1 ZINC000824705859 608372334 /nfs/dbraw/zinc/37/23/34/608372334.db2.gz FQIFMYFZGPYKHH-SNVBAGLBSA-N -1 3 374.242 3.295 20 0 FGADHM COC(=O)[C@@H](N[C@@H](C)c1ccccc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000821641229 608391003 /nfs/dbraw/zinc/39/10/03/608391003.db2.gz YLVWKJZSKKQULK-ZBEGNZNMSA-N -1 3 371.828 3.085 20 0 FGADHM COC(=O)[C@@H](N[C@@H](C)c1ccccc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000821641229 608391004 /nfs/dbraw/zinc/39/10/04/608391004.db2.gz YLVWKJZSKKQULK-ZBEGNZNMSA-N -1 3 371.828 3.085 20 0 FGADHM C[C@H](Sc1ccc(-c2nn[n-]n2)cc1)C(=O)c1c[nH]c2ncccc12 ZINC000824757555 608396970 /nfs/dbraw/zinc/39/69/70/608396970.db2.gz XVYGWFQHFQGIMW-JTQLQIEISA-N -1 3 350.407 3.107 20 0 FGADHM Clc1cnc(Br)c(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000826354045 608402926 /nfs/dbraw/zinc/40/29/26/608402926.db2.gz NWUTZCMLTQUNPV-UHFFFAOYSA-N -1 3 366.606 3.257 20 0 FGADHM Clc1cnc(Br)c(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000826354045 608402928 /nfs/dbraw/zinc/40/29/28/608402928.db2.gz NWUTZCMLTQUNPV-UHFFFAOYSA-N -1 3 366.606 3.257 20 0 FGADHM CCC(CC)CNC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000825107462 608406826 /nfs/dbraw/zinc/40/68/26/608406826.db2.gz OXNQYHNKILILNJ-UHFFFAOYSA-N -1 3 354.458 3.102 20 0 FGADHM CCC(CC)CNC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825107462 608406828 /nfs/dbraw/zinc/40/68/28/608406828.db2.gz OXNQYHNKILILNJ-UHFFFAOYSA-N -1 3 354.458 3.102 20 0 FGADHM Cc1csc(C2(NCc3cccc(-c4nnn[n-]4)c3F)CCCC2)n1 ZINC000826319985 608406929 /nfs/dbraw/zinc/40/69/29/608406929.db2.gz BJBOKXALVVTRCP-UHFFFAOYSA-N -1 3 358.446 3.330 20 0 FGADHM Cc1csc(C2(NCc3cccc(-c4nn[n-]n4)c3F)CCCC2)n1 ZINC000826319985 608406930 /nfs/dbraw/zinc/40/69/30/608406930.db2.gz BJBOKXALVVTRCP-UHFFFAOYSA-N -1 3 358.446 3.330 20 0 FGADHM Cc1ccccc1[C@H](C)NCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000826306442 608423810 /nfs/dbraw/zinc/42/38/10/608423810.db2.gz YTOMJPGERODBEZ-ZDUSSCGKSA-N -1 3 361.409 3.076 20 0 FGADHM Cc1ccccc1[C@H](C)NCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000826306442 608423811 /nfs/dbraw/zinc/42/38/11/608423811.db2.gz YTOMJPGERODBEZ-ZDUSSCGKSA-N -1 3 361.409 3.076 20 0 FGADHM Cc1cccc(OCCC(=O)OCc2cccc(-c3nnn[n-]3)c2F)c1C ZINC000826300342 608441572 /nfs/dbraw/zinc/44/15/72/608441572.db2.gz RDQYMQQMZZRTKL-UHFFFAOYSA-N -1 3 370.384 3.135 20 0 FGADHM Cc1cccc(OCCC(=O)OCc2cccc(-c3nn[n-]n3)c2F)c1C ZINC000826300342 608441573 /nfs/dbraw/zinc/44/15/73/608441573.db2.gz RDQYMQQMZZRTKL-UHFFFAOYSA-N -1 3 370.384 3.135 20 0 FGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000826465949 608443530 /nfs/dbraw/zinc/44/35/30/608443530.db2.gz JRXNJGKFICEHPN-GXSJLCMTSA-N -1 3 372.322 3.418 20 0 FGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000826465949 608443532 /nfs/dbraw/zinc/44/35/32/608443532.db2.gz JRXNJGKFICEHPN-GXSJLCMTSA-N -1 3 372.322 3.418 20 0 FGADHM C[C@H](CC(=O)OCc1cccc(-c2nnn[n-]2)c1F)c1ccccc1F ZINC000824393858 608445756 /nfs/dbraw/zinc/44/57/56/608445756.db2.gz UUWVCFGFHCRTGL-LLVKDONJSA-N -1 3 358.348 3.382 20 0 FGADHM C[C@H](CC(=O)OCc1cccc(-c2nn[n-]n2)c1F)c1ccccc1F ZINC000824393858 608445757 /nfs/dbraw/zinc/44/57/57/608445757.db2.gz UUWVCFGFHCRTGL-LLVKDONJSA-N -1 3 358.348 3.382 20 0 FGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)[C@H]1SCCc2ccccc21 ZINC000826466165 608450367 /nfs/dbraw/zinc/45/03/67/608450367.db2.gz QXXSOVQAKVGIHM-INIZCTEOSA-N -1 3 370.409 3.080 20 0 FGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)[C@H]1SCCc2ccccc21 ZINC000826466165 608450369 /nfs/dbraw/zinc/45/03/69/608450369.db2.gz QXXSOVQAKVGIHM-INIZCTEOSA-N -1 3 370.409 3.080 20 0 FGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000826466324 608450416 /nfs/dbraw/zinc/45/04/16/608450416.db2.gz XNCKOYWMTYMWLL-TZMCWYRMSA-N -1 3 374.322 3.131 20 0 FGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000826466324 608450418 /nfs/dbraw/zinc/45/04/18/608450418.db2.gz XNCKOYWMTYMWLL-TZMCWYRMSA-N -1 3 374.322 3.131 20 0 FGADHM CC(C)c1cnc(CN2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)o1 ZINC000824352846 608461807 /nfs/dbraw/zinc/46/18/07/608461807.db2.gz PUJZYLJCUGXUMG-UHFFFAOYSA-N -1 3 350.426 3.267 20 0 FGADHM CC(C)c1cnc(CN2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)o1 ZINC000824352846 608461808 /nfs/dbraw/zinc/46/18/08/608461808.db2.gz PUJZYLJCUGXUMG-UHFFFAOYSA-N -1 3 350.426 3.267 20 0 FGADHM Fc1ccc(CN2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)cc1F ZINC000826374051 608462323 /nfs/dbraw/zinc/46/23/23/608462323.db2.gz JPLOFUCKQXUPIR-UHFFFAOYSA-N -1 3 353.376 3.434 20 0 FGADHM S=C(Nc1ccccc1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826512347 608475973 /nfs/dbraw/zinc/47/59/73/608475973.db2.gz XUOYWMHKMYRTHI-UHFFFAOYSA-N -1 3 362.462 3.353 20 0 FGADHM S=C(Nc1ccccc1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826512347 608475975 /nfs/dbraw/zinc/47/59/75/608475975.db2.gz XUOYWMHKMYRTHI-UHFFFAOYSA-N -1 3 362.462 3.353 20 0 FGADHM C[C@@H](CC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1)c1cccnc1 ZINC000824385116 608481725 /nfs/dbraw/zinc/48/17/25/608481725.db2.gz LZMAKFZTKYJGKB-HNNXBMFYSA-N -1 3 374.448 3.071 20 0 FGADHM C[C@@H](CC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1)c1cccnc1 ZINC000824385116 608481726 /nfs/dbraw/zinc/48/17/26/608481726.db2.gz LZMAKFZTKYJGKB-HNNXBMFYSA-N -1 3 374.448 3.071 20 0 FGADHM Cc1cccc(C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c1F ZINC000826296376 608485141 /nfs/dbraw/zinc/48/51/41/608485141.db2.gz UIJPJOSXVNFDNW-UHFFFAOYSA-N -1 3 363.396 3.244 20 0 FGADHM Cc1cccc(C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c1F ZINC000826296376 608485142 /nfs/dbraw/zinc/48/51/42/608485142.db2.gz UIJPJOSXVNFDNW-UHFFFAOYSA-N -1 3 363.396 3.244 20 0 FGADHM C[C@H](NCc1noc(C2CCCCC2)n1)c1cccc(-c2nnn[n-]2)c1 ZINC000824635091 608490093 /nfs/dbraw/zinc/49/00/93/608490093.db2.gz YQXLMXKKSUGSAD-LBPRGKRZSA-N -1 3 353.430 3.148 20 0 FGADHM C[C@H](NCc1noc(C2CCCCC2)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000824635091 608490094 /nfs/dbraw/zinc/49/00/94/608490094.db2.gz YQXLMXKKSUGSAD-LBPRGKRZSA-N -1 3 353.430 3.148 20 0 FGADHM CC[C@H](CSC)NC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000825126453 608490154 /nfs/dbraw/zinc/49/01/54/608490154.db2.gz IFUOTKMLLUDUHJ-MRVPVSSYSA-N -1 3 374.392 3.149 20 0 FGADHM CC[C@H](CSC)NC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000825126453 608490155 /nfs/dbraw/zinc/49/01/55/608490155.db2.gz IFUOTKMLLUDUHJ-MRVPVSSYSA-N -1 3 374.392 3.149 20 0 FGADHM CN(Cc1cc(-c2nnn[n-]2)cs1)Cc1ccccc1OC(F)(F)F ZINC000825953695 608513499 /nfs/dbraw/zinc/51/34/99/608513499.db2.gz LTVMNNRSSXAWKF-UHFFFAOYSA-N -1 3 369.372 3.459 20 0 FGADHM CN(Cc1cc(-c2nn[n-]n2)cs1)Cc1ccccc1OC(F)(F)F ZINC000825953695 608513500 /nfs/dbraw/zinc/51/35/00/608513500.db2.gz LTVMNNRSSXAWKF-UHFFFAOYSA-N -1 3 369.372 3.459 20 0 FGADHM CSc1cccc(NC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)c1C ZINC000826230975 608516416 /nfs/dbraw/zinc/51/64/16/608516416.db2.gz RDDTWICKBWGJMA-UHFFFAOYSA-N -1 3 372.429 3.358 20 0 FGADHM CSc1cccc(NC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)c1C ZINC000826230975 608516417 /nfs/dbraw/zinc/51/64/17/608516417.db2.gz RDDTWICKBWGJMA-UHFFFAOYSA-N -1 3 372.429 3.358 20 0 FGADHM CCCOc1ccc(NC(=S)Nc2ccccc2-c2nnn[n-]2)cc1 ZINC000825342126 608528006 /nfs/dbraw/zinc/52/80/06/608528006.db2.gz NMCVWLJKURCFDV-UHFFFAOYSA-N -1 3 354.439 3.464 20 0 FGADHM CCCOc1ccc(NC(=S)Nc2ccccc2-c2nn[n-]n2)cc1 ZINC000825342126 608528007 /nfs/dbraw/zinc/52/80/07/608528007.db2.gz NMCVWLJKURCFDV-UHFFFAOYSA-N -1 3 354.439 3.464 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)c1ccccc1OC(F)(F)F ZINC000826454898 608546871 /nfs/dbraw/zinc/54/68/71/608546871.db2.gz PVTNLTJXDYCABU-UHFFFAOYSA-N -1 3 367.262 3.157 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)c1ccccc1OC(F)(F)F ZINC000826454898 608546872 /nfs/dbraw/zinc/54/68/72/608546872.db2.gz PVTNLTJXDYCABU-UHFFFAOYSA-N -1 3 367.262 3.157 20 0 FGADHM c1ccc2c(c1)nc(-c1nnn[n-]1)cc2N1CCC(c2cccnc2)CC1 ZINC000826525336 608554205 /nfs/dbraw/zinc/55/42/05/608554205.db2.gz FWQOETJUXREOKC-UHFFFAOYSA-N -1 3 357.421 3.194 20 0 FGADHM Cc1ccccc1-c1cc(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)n[nH]1 ZINC000826305111 608560955 /nfs/dbraw/zinc/56/09/55/608560955.db2.gz KZVDEDUCEJZJJZ-ZHACJKMWSA-N -1 3 371.404 3.217 20 0 FGADHM Cc1ccccc1-c1cc(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)n[nH]1 ZINC000826305111 608560957 /nfs/dbraw/zinc/56/09/57/608560957.db2.gz KZVDEDUCEJZJJZ-ZHACJKMWSA-N -1 3 371.404 3.217 20 0 FGADHM Cc1oc(NC(=O)CN[C@@H](C)c2ccccc2Cl)c(-c2nnn[n-]2)c1C ZINC000826342368 608564724 /nfs/dbraw/zinc/56/47/24/608564724.db2.gz HXOFCRYTUIGTMG-JTQLQIEISA-N -1 3 374.832 3.019 20 0 FGADHM Cc1oc(NC(=O)CN[C@@H](C)c2ccccc2Cl)c(-c2nn[n-]n2)c1C ZINC000826342368 608564725 /nfs/dbraw/zinc/56/47/25/608564725.db2.gz HXOFCRYTUIGTMG-JTQLQIEISA-N -1 3 374.832 3.019 20 0 FGADHM C[C@@H]1CC[C@@H](C)N(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)C1 ZINC000824907781 608600700 /nfs/dbraw/zinc/60/07/00/608600700.db2.gz KORSLQQKVJTVCP-NXEZZACHSA-N -1 3 366.372 3.120 20 0 FGADHM C[C@@H]1CC[C@@H](C)N(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)C1 ZINC000824907781 608600701 /nfs/dbraw/zinc/60/07/01/608600701.db2.gz KORSLQQKVJTVCP-NXEZZACHSA-N -1 3 366.372 3.120 20 0 FGADHM CC1(C)CO[C@@H](c2ccccc2)CN1Cc1ccc(-c2nnn[n-]2)s1 ZINC000824811814 608673896 /nfs/dbraw/zinc/67/38/96/608673896.db2.gz CZTGBKSIOHANLG-OAHLLOKOSA-N -1 3 355.467 3.280 20 0 FGADHM CCO[C@@H](C)c1nc(CN(C)Cc2cc(-c3nnn[n-]3)cs2)cs1 ZINC000825576556 608731182 /nfs/dbraw/zinc/73/11/82/608731182.db2.gz KGUKCRPLMLZEFF-JTQLQIEISA-N -1 3 364.500 3.114 20 0 FGADHM CCO[C@@H](C)c1nc(CN(C)Cc2cc(-c3nn[n-]n3)cs2)cs1 ZINC000825576556 608731185 /nfs/dbraw/zinc/73/11/85/608731185.db2.gz KGUKCRPLMLZEFF-JTQLQIEISA-N -1 3 364.500 3.114 20 0 FGADHM COC(=O)[C@H](N[C@@H](C)c1cc(C)sc1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826111328 608753270 /nfs/dbraw/zinc/75/32/70/608753270.db2.gz CXFXXHHWIIIFRH-MEDUHNTESA-N -1 3 371.466 3.110 20 0 FGADHM COC(=O)[C@H](N[C@@H](C)c1cc(C)sc1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826111328 608753272 /nfs/dbraw/zinc/75/32/72/608753272.db2.gz CXFXXHHWIIIFRH-MEDUHNTESA-N -1 3 371.466 3.110 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1SCc1nc(-c2cccs2)n[nH]1 ZINC000826372255 608754706 /nfs/dbraw/zinc/75/47/06/608754706.db2.gz OPXCAUQQAINZLK-UHFFFAOYSA-N -1 3 359.415 3.145 20 0 FGADHM C[C@H](Nc1cnccc1-c1nnn[n-]1)c1nc2ccccc2n1C(F)F ZINC000824662553 608768047 /nfs/dbraw/zinc/76/80/47/608768047.db2.gz MSSOPIKVPZHIKV-VIFPVBQESA-N -1 3 356.340 3.180 20 0 FGADHM C[C@H](Nc1cnccc1-c1nn[n-]n1)c1nc2ccccc2n1C(F)F ZINC000824662553 608768050 /nfs/dbraw/zinc/76/80/50/608768050.db2.gz MSSOPIKVPZHIKV-VIFPVBQESA-N -1 3 356.340 3.180 20 0 FGADHM COC[C@H](Nc1ccc(-c2nn[n-]n2)cc1Br)c1ccccc1 ZINC000826151676 608798429 /nfs/dbraw/zinc/79/84/29/608798429.db2.gz HJPUVGCXZHQYCX-HNNXBMFYSA-N -1 3 374.242 3.429 20 0 FGADHM Fc1cc(F)cc(CN2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000826372781 608858296 /nfs/dbraw/zinc/85/82/96/608858296.db2.gz LMNDFKSBDCSVKZ-UHFFFAOYSA-N -1 3 353.376 3.434 20 0 FGADHM CCN(C)[C@@H](C(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000825391194 609144474 /nfs/dbraw/zinc/14/44/74/609144474.db2.gz WJWQXUUXLOIYSJ-KBXCAEBGSA-N -1 3 365.437 3.164 20 0 FGADHM CCN(C)[C@@H](C(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000825391194 609144476 /nfs/dbraw/zinc/14/44/76/609144476.db2.gz WJWQXUUXLOIYSJ-KBXCAEBGSA-N -1 3 365.437 3.164 20 0 FGADHM O=C(OCc1ccc(Cl)cc1-c1nn[n-]n1)c1cc2ccsc2[nH]1 ZINC000826465510 609156495 /nfs/dbraw/zinc/15/64/95/609156495.db2.gz QDMIMRQOAUQILH-UHFFFAOYSA-N -1 3 359.798 3.420 20 0 FGADHM C[C@H](Nc1cccc(CN2CCCC2=O)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824662237 609174319 /nfs/dbraw/zinc/17/43/19/609174319.db2.gz GHWBOVHTZLRIQD-AWEZNQCLSA-N -1 3 362.437 3.162 20 0 FGADHM C[C@H](Nc1cccc(CN2CCCC2=O)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824662237 609174321 /nfs/dbraw/zinc/17/43/21/609174321.db2.gz GHWBOVHTZLRIQD-AWEZNQCLSA-N -1 3 362.437 3.162 20 0 FGADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2ccc(C(C)=O)cc2F)s1 ZINC000825694422 609175481 /nfs/dbraw/zinc/17/54/81/609175481.db2.gz PUDSAWDEFLYGQB-UHFFFAOYSA-N -1 3 359.386 3.085 20 0 FGADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2ccc(C(C)=O)cc2F)s1 ZINC000825694422 609175482 /nfs/dbraw/zinc/17/54/82/609175482.db2.gz PUDSAWDEFLYGQB-UHFFFAOYSA-N -1 3 359.386 3.085 20 0 FGADHM CCNc1ccc(-c2nn[n-]n2)cc1NCc1csc([C@@H](C)OC)n1 ZINC000825481339 609178229 /nfs/dbraw/zinc/17/82/29/609178229.db2.gz XFXUJARREISZON-SNVBAGLBSA-N -1 3 359.459 3.075 20 0 FGADHM C[C@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1ccc(Oc2ccccc2)cc1 ZINC000824515646 609204797 /nfs/dbraw/zinc/20/47/97/609204797.db2.gz UJKVNIDXFFMWCI-ZDUSSCGKSA-N -1 3 374.404 3.478 20 0 FGADHM C[C@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccc(Oc2ccccc2)cc1 ZINC000824515646 609204799 /nfs/dbraw/zinc/20/47/99/609204799.db2.gz UJKVNIDXFFMWCI-ZDUSSCGKSA-N -1 3 374.404 3.478 20 0 FGADHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N1CCCCC[C@H]1/C=C\c1ccccc1 ZINC000826469622 609224673 /nfs/dbraw/zinc/22/46/73/609224673.db2.gz MSBRMGFYSZBBKD-MQNTZWLQSA-N -1 3 362.437 3.293 20 0 FGADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1CCCCC[C@H]1/C=C\c1ccccc1 ZINC000826469622 609224674 /nfs/dbraw/zinc/22/46/74/609224674.db2.gz MSBRMGFYSZBBKD-MQNTZWLQSA-N -1 3 362.437 3.293 20 0 FGADHM CSc1ccccc1CC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826230859 609233976 /nfs/dbraw/zinc/23/39/76/609233976.db2.gz MMYJDWDHLLHLME-GFCCVEGCSA-N -1 3 353.451 3.009 20 0 FGADHM CSc1ccccc1CC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826230859 609233978 /nfs/dbraw/zinc/23/39/78/609233978.db2.gz MMYJDWDHLLHLME-GFCCVEGCSA-N -1 3 353.451 3.009 20 0 FGADHM O=C(c1ccccc1NCc1ccccc1-c1nnn[n-]1)N1CCCCC1 ZINC000826474346 609239754 /nfs/dbraw/zinc/23/97/54/609239754.db2.gz MBAFGWBSHBVHLZ-UHFFFAOYSA-N -1 3 362.437 3.105 20 0 FGADHM O=C(c1ccccc1NCc1ccccc1-c1nn[n-]n1)N1CCCCC1 ZINC000826474346 609239755 /nfs/dbraw/zinc/23/97/55/609239755.db2.gz MBAFGWBSHBVHLZ-UHFFFAOYSA-N -1 3 362.437 3.105 20 0 FGADHM CSc1ccccc1CC(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826230910 609244089 /nfs/dbraw/zinc/24/40/89/609244089.db2.gz OPTKFJMEZZPHNZ-UHFFFAOYSA-N -1 3 358.398 3.014 20 0 FGADHM CSc1ccccc1CC(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826230910 609244091 /nfs/dbraw/zinc/24/40/91/609244091.db2.gz OPTKFJMEZZPHNZ-UHFFFAOYSA-N -1 3 358.398 3.014 20 0 FGADHM O=C(Oc1cccc(Oc2cccnc2)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000826468411 609258079 /nfs/dbraw/zinc/25/80/79/609258079.db2.gz OXANSSGFYKKSLH-UHFFFAOYSA-N -1 3 359.345 3.273 20 0 FGADHM O=C(Oc1cccc(Oc2cccnc2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000826468411 609258080 /nfs/dbraw/zinc/25/80/80/609258080.db2.gz OXANSSGFYKKSLH-UHFFFAOYSA-N -1 3 359.345 3.273 20 0 FGADHM C[C@H](Nc1ccc(N2CCO[C@@H](C)C2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824992245 609279711 /nfs/dbraw/zinc/27/97/11/609279711.db2.gz LCJVHCYQVPJJOA-GJZGRUSLSA-N -1 3 364.453 3.265 20 0 FGADHM C[C@H](Nc1ccc(N2CCO[C@@H](C)C2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824992245 609279712 /nfs/dbraw/zinc/27/97/12/609279712.db2.gz LCJVHCYQVPJJOA-GJZGRUSLSA-N -1 3 364.453 3.265 20 0 FGADHM COCc1cccc(OCC2(Cn3ccc(-c4nnn[n-]4)c3)CCC2)c1 ZINC000826164779 609280670 /nfs/dbraw/zinc/28/06/70/609280670.db2.gz PYVJUERSXNWKOU-UHFFFAOYSA-N -1 3 353.426 3.064 20 0 FGADHM COCc1cccc(OCC2(Cn3ccc(-c4nn[n-]n4)c3)CCC2)c1 ZINC000826164779 609280671 /nfs/dbraw/zinc/28/06/71/609280671.db2.gz PYVJUERSXNWKOU-UHFFFAOYSA-N -1 3 353.426 3.064 20 0 FGADHM CC(C)CCNC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000824248937 609301833 /nfs/dbraw/zinc/30/18/33/609301833.db2.gz DMPUKRPVXFPFPI-UHFFFAOYSA-N -1 3 351.410 3.435 20 0 FGADHM CC(C)CCNC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000824248937 609301835 /nfs/dbraw/zinc/30/18/35/609301835.db2.gz DMPUKRPVXFPFPI-UHFFFAOYSA-N -1 3 351.410 3.435 20 0 FGADHM Cc1nnc(SCCSc2ccc(F)cc2)c(-c2nnn[n-]2)c1C ZINC000826337545 609304494 /nfs/dbraw/zinc/30/44/94/609304494.db2.gz SIBHYMAOKJVQII-UHFFFAOYSA-N -1 3 362.459 3.297 20 0 FGADHM Cc1nnc(SCCSc2ccc(F)cc2)c(-c2nn[n-]n2)c1C ZINC000826337545 609304495 /nfs/dbraw/zinc/30/44/95/609304495.db2.gz SIBHYMAOKJVQII-UHFFFAOYSA-N -1 3 362.459 3.297 20 0 FGADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCC2)[C@@H](F)Cc1ccccc1 ZINC000826460523 609305569 /nfs/dbraw/zinc/30/55/69/609305569.db2.gz GWWLCXJRIFBKOT-ZDUSSCGKSA-N -1 3 371.441 3.326 20 0 FGADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCC2)[C@@H](F)Cc1ccccc1 ZINC000826460523 609305570 /nfs/dbraw/zinc/30/55/70/609305570.db2.gz GWWLCXJRIFBKOT-ZDUSSCGKSA-N -1 3 371.441 3.326 20 0 FGADHM CCc1cc(NCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)ccc1C ZINC000825700831 609313055 /nfs/dbraw/zinc/31/30/55/609313055.db2.gz VCVLLFIQUWMZIJ-UHFFFAOYSA-N -1 3 361.409 3.400 20 0 FGADHM CCc1cc(NCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)ccc1C ZINC000825700831 609313058 /nfs/dbraw/zinc/31/30/58/609313058.db2.gz VCVLLFIQUWMZIJ-UHFFFAOYSA-N -1 3 361.409 3.400 20 0 FGADHM CC(C)[C@H](N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1F)c1nc(C2CC2)no1 ZINC000824538329 609340538 /nfs/dbraw/zinc/34/05/38/609340538.db2.gz IAOHUAURWXXEHR-BONVTDFDSA-N -1 3 371.420 3.314 20 0 FGADHM CC(C)[C@H](N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1F)c1nc(C2CC2)no1 ZINC000824538329 609340539 /nfs/dbraw/zinc/34/05/39/609340539.db2.gz IAOHUAURWXXEHR-BONVTDFDSA-N -1 3 371.420 3.314 20 0 FGADHM Cc1cccc(NCc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)c1F ZINC000826299674 609344866 /nfs/dbraw/zinc/34/48/66/609344866.db2.gz PIVGCRVHEAPWCI-UHFFFAOYSA-N -1 3 363.400 3.327 20 0 FGADHM Cc1cccc(NCc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)c1F ZINC000826299674 609344868 /nfs/dbraw/zinc/34/48/68/609344868.db2.gz PIVGCRVHEAPWCI-UHFFFAOYSA-N -1 3 363.400 3.327 20 0 FGADHM O=C(N[C@@H]1CC=C(c2ccc(F)cc2)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000826429206 609348471 /nfs/dbraw/zinc/34/84/71/609348471.db2.gz WRRNXZQFNOPYCP-GOSISDBHSA-N -1 3 363.396 3.372 20 0 FGADHM O=C(N[C@@H]1CC=C(c2ccc(F)cc2)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000826429206 609348473 /nfs/dbraw/zinc/34/84/73/609348473.db2.gz WRRNXZQFNOPYCP-GOSISDBHSA-N -1 3 363.396 3.372 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N[C@H](CC1CCC1)c1ccccc1 ZINC000826422662 609350702 /nfs/dbraw/zinc/35/07/02/609350702.db2.gz HMFRZVXASHPQGK-LJQANCHMSA-N -1 3 361.449 3.457 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N[C@H](CC1CCC1)c1ccccc1 ZINC000826422662 609350704 /nfs/dbraw/zinc/35/07/04/609350704.db2.gz HMFRZVXASHPQGK-LJQANCHMSA-N -1 3 361.449 3.457 20 0 FGADHM CCCC(=O)COC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000825219557 609351150 /nfs/dbraw/zinc/35/11/50/609351150.db2.gz KJWOQYAKGUUUHF-UHFFFAOYSA-N -1 3 366.377 3.185 20 0 FGADHM CCCC(=O)COC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000825219557 609351151 /nfs/dbraw/zinc/35/11/51/609351151.db2.gz KJWOQYAKGUUUHF-UHFFFAOYSA-N -1 3 366.377 3.185 20 0 FGADHM CC(C)(C)C[C@H](NC(=O)Nc1ccc(F)cc1-c1nnn[n-]1)C(F)(F)F ZINC000824087487 609380775 /nfs/dbraw/zinc/38/07/75/609380775.db2.gz VPFXTZODLYAIQY-NSHDSACASA-N -1 3 374.342 3.494 20 0 FGADHM CC(C)(C)C[C@H](NC(=O)Nc1ccc(F)cc1-c1nn[n-]n1)C(F)(F)F ZINC000824087487 609380777 /nfs/dbraw/zinc/38/07/77/609380777.db2.gz VPFXTZODLYAIQY-NSHDSACASA-N -1 3 374.342 3.494 20 0 FGADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)C[C@H]2CCO[C@@H](C(C)C)C2)s1 ZINC000825694683 609380907 /nfs/dbraw/zinc/38/09/07/609380907.db2.gz ZEYITCDSKPSFII-SMDDNHRTSA-N -1 3 363.487 3.270 20 0 FGADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)C[C@H]2CCO[C@@H](C(C)C)C2)s1 ZINC000825694683 609380909 /nfs/dbraw/zinc/38/09/09/609380909.db2.gz ZEYITCDSKPSFII-SMDDNHRTSA-N -1 3 363.487 3.270 20 0 FGADHM CCc1cc(NC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)ccc1C ZINC000825700416 609382814 /nfs/dbraw/zinc/38/28/14/609382814.db2.gz FDVXZQWLUPHCJU-UHFFFAOYSA-N -1 3 354.389 3.198 20 0 FGADHM CCc1cc(NC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)ccc1C ZINC000825700416 609382816 /nfs/dbraw/zinc/38/28/16/609382816.db2.gz FDVXZQWLUPHCJU-UHFFFAOYSA-N -1 3 354.389 3.198 20 0 FGADHM C[C@@H](OC(=O)c1ccc(OC(C)(C)C)nc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824722103 609385850 /nfs/dbraw/zinc/38/58/50/609385850.db2.gz GMEVFYWFIIZRQQ-GFCCVEGCSA-N -1 3 367.409 3.357 20 0 FGADHM C[C@@H](OC(=O)c1ccc(OC(C)(C)C)nc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824722103 609385853 /nfs/dbraw/zinc/38/58/53/609385853.db2.gz GMEVFYWFIIZRQQ-GFCCVEGCSA-N -1 3 367.409 3.357 20 0 FGADHM CCOc1cc(Cl)ccc1C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000825616170 609453501 /nfs/dbraw/zinc/45/35/01/609453501.db2.gz YSTYJAWWAQODAH-UHFFFAOYSA-N -1 3 361.764 3.310 20 0 FGADHM CCOc1cc(Cl)ccc1C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000825616170 609453502 /nfs/dbraw/zinc/45/35/02/609453502.db2.gz YSTYJAWWAQODAH-UHFFFAOYSA-N -1 3 361.764 3.310 20 0 FGADHM C[C@H](NC(=O)N1CCCC1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824491442 609454497 /nfs/dbraw/zinc/45/44/97/609454497.db2.gz UVYQLYBBNXLSPH-AWEZNQCLSA-N -1 3 362.437 3.400 20 0 FGADHM C[C@H](NC(=O)N1CCCC1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824491442 609454498 /nfs/dbraw/zinc/45/44/98/609454498.db2.gz UVYQLYBBNXLSPH-AWEZNQCLSA-N -1 3 362.437 3.400 20 0 FGADHM Cc1ccc(SCCNc2nc3ccccn3c2-c2nnn[n-]2)cc1 ZINC000826293273 609457865 /nfs/dbraw/zinc/45/78/65/609457865.db2.gz IZVGNNGYJQJEQJ-UHFFFAOYSA-N -1 3 351.439 3.027 20 0 FGADHM Cc1ccc(SCCNc2nc3ccccn3c2-c2nn[n-]n2)cc1 ZINC000826293273 609457867 /nfs/dbraw/zinc/45/78/67/609457867.db2.gz IZVGNNGYJQJEQJ-UHFFFAOYSA-N -1 3 351.439 3.027 20 0 FGADHM CC(C)OCc1ccccc1CNc1nc2ccccn2c1-c1nnn[n-]1 ZINC000824315435 609458441 /nfs/dbraw/zinc/45/84/41/609458441.db2.gz NNLUXCYUCOSABD-UHFFFAOYSA-N -1 3 363.425 3.052 20 0 FGADHM CC(C)OCc1ccccc1CNc1nc2ccccn2c1-c1nn[n-]n1 ZINC000824315435 609458444 /nfs/dbraw/zinc/45/84/44/609458444.db2.gz NNLUXCYUCOSABD-UHFFFAOYSA-N -1 3 363.425 3.052 20 0 FGADHM Cc1ccccc1COc1cccc(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)c1 ZINC000826307815 609459202 /nfs/dbraw/zinc/45/92/02/609459202.db2.gz XJKCTBAWQBYEPU-UHFFFAOYSA-N -1 3 374.404 3.335 20 0 FGADHM Cc1ccccc1COc1cccc(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)c1 ZINC000826307815 609459205 /nfs/dbraw/zinc/45/92/05/609459205.db2.gz XJKCTBAWQBYEPU-UHFFFAOYSA-N -1 3 374.404 3.335 20 0 FGADHM COc1ccc2c(c1)CCC[C@@H]2Nc1nc2ccccn2c1-c1nnn[n-]1 ZINC000826212514 609466458 /nfs/dbraw/zinc/46/64/58/609466458.db2.gz TVVWBGDJEQQHEL-HNNXBMFYSA-N -1 3 361.409 3.013 20 0 FGADHM COc1ccc2c(c1)CCC[C@@H]2Nc1nc2ccccn2c1-c1nn[n-]n1 ZINC000826212514 609466461 /nfs/dbraw/zinc/46/64/61/609466461.db2.gz TVVWBGDJEQQHEL-HNNXBMFYSA-N -1 3 361.409 3.013 20 0 FGADHM Cc1c(CSC(C)C)cccc1NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826236302 609466841 /nfs/dbraw/zinc/46/68/41/609466841.db2.gz GSOSTXORTQLJHT-UHFFFAOYSA-N -1 3 356.455 3.397 20 0 FGADHM Cc1c(CSC(C)C)cccc1NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826236302 609466842 /nfs/dbraw/zinc/46/68/42/609466842.db2.gz GSOSTXORTQLJHT-UHFFFAOYSA-N -1 3 356.455 3.397 20 0 FGADHM CCOC(=O)CCc1ccc(NCc2cccc(-c3nnn[n-]3)c2F)cc1 ZINC000825511683 609478171 /nfs/dbraw/zinc/47/81/71/609478171.db2.gz AFEUBBCKGUWEEO-UHFFFAOYSA-N -1 3 369.400 3.114 20 0 FGADHM CCOC(=O)CCc1ccc(NCc2cccc(-c3nn[n-]n3)c2F)cc1 ZINC000825511683 609478174 /nfs/dbraw/zinc/47/81/74/609478174.db2.gz AFEUBBCKGUWEEO-UHFFFAOYSA-N -1 3 369.400 3.114 20 0 FGADHM Cc1cnn(-c2ccc(NCc3cccc(-c4nnn[n-]4)c3F)cc2F)c1 ZINC000826319568 609479120 /nfs/dbraw/zinc/47/91/20/609479120.db2.gz IWABZQUSOLLXKD-UHFFFAOYSA-N -1 3 367.363 3.251 20 0 FGADHM Cc1cnn(-c2ccc(NCc3cccc(-c4nn[n-]n4)c3F)cc2F)c1 ZINC000826319568 609479121 /nfs/dbraw/zinc/47/91/21/609479121.db2.gz IWABZQUSOLLXKD-UHFFFAOYSA-N -1 3 367.363 3.251 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1CNc1cc(F)c(SC)c(F)c1 ZINC000826184091 609481639 /nfs/dbraw/zinc/48/16/39/609481639.db2.gz KTHPXVGSPXHDCK-UHFFFAOYSA-N -1 3 363.393 3.488 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1CNc1cc(F)c(SC)c(F)c1 ZINC000826184091 609481641 /nfs/dbraw/zinc/48/16/41/609481641.db2.gz KTHPXVGSPXHDCK-UHFFFAOYSA-N -1 3 363.393 3.488 20 0 FGADHM Cn1ccc(CNc2ccc(OCc3cccc(-c4nnn[n-]4)c3)cc2)c1 ZINC000826363717 609484686 /nfs/dbraw/zinc/48/46/86/609484686.db2.gz ZJFUUXMNBJOOLZ-UHFFFAOYSA-N -1 3 360.421 3.396 20 0 FGADHM Cn1ccc(CNc2ccc(OCc3cccc(-c4nn[n-]n4)c3)cc2)c1 ZINC000826363717 609484689 /nfs/dbraw/zinc/48/46/89/609484689.db2.gz ZJFUUXMNBJOOLZ-UHFFFAOYSA-N -1 3 360.421 3.396 20 0 FGADHM c1cc(COc2ccc(NCc3ccncc3)cc2)cc(-c2nnn[n-]2)c1 ZINC000826516669 609484946 /nfs/dbraw/zinc/48/49/46/609484946.db2.gz VMUIWZJAZCPPNZ-UHFFFAOYSA-N -1 3 358.405 3.453 20 0 FGADHM c1cc(COc2ccc(NCc3ccncc3)cc2)cc(-c2nn[n-]n2)c1 ZINC000826516669 609484949 /nfs/dbraw/zinc/48/49/49/609484949.db2.gz VMUIWZJAZCPPNZ-UHFFFAOYSA-N -1 3 358.405 3.453 20 0 FGADHM Cc1c(NCc2nc3ccc(Cl)cc3n2C)cccc1-c1nnn[n-]1 ZINC000826243130 609486638 /nfs/dbraw/zinc/48/66/38/609486638.db2.gz VUAFCDJMXFNBHG-UHFFFAOYSA-N -1 3 353.817 3.327 20 0 FGADHM Cc1c(NCc2nc3ccc(Cl)cc3n2C)cccc1-c1nn[n-]n1 ZINC000826243130 609486640 /nfs/dbraw/zinc/48/66/40/609486640.db2.gz VUAFCDJMXFNBHG-UHFFFAOYSA-N -1 3 353.817 3.327 20 0 FGADHM Cc1noc(C2CC2)c1C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC000826339437 609493701 /nfs/dbraw/zinc/49/37/01/609493701.db2.gz DPDXZEHGZNWYDW-UHFFFAOYSA-N -1 3 368.397 3.080 20 0 FGADHM Cc1noc(C2CC2)c1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC000826339437 609493703 /nfs/dbraw/zinc/49/37/03/609493703.db2.gz DPDXZEHGZNWYDW-UHFFFAOYSA-N -1 3 368.397 3.080 20 0 FGADHM CCOc1ccc(CCNc2nccc(C)c2-c2nnn[n-]2)cc1OCC ZINC000825638154 609519556 /nfs/dbraw/zinc/51/95/56/609519556.db2.gz HNILJWLTVAOADV-UHFFFAOYSA-N -1 3 368.441 3.022 20 0 FGADHM CCOc1ccc(CCNc2nccc(C)c2-c2nn[n-]n2)cc1OCC ZINC000825638154 609519557 /nfs/dbraw/zinc/51/95/57/609519557.db2.gz HNILJWLTVAOADV-UHFFFAOYSA-N -1 3 368.441 3.022 20 0 FGADHM CC[C@H]1C[C@H](C(=O)N(CC(C)C)c2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000825176354 609523709 /nfs/dbraw/zinc/52/37/09/609523709.db2.gz QKMNEBINOHPMRW-WBVHZDCISA-N -1 3 357.458 3.061 20 0 FGADHM CC[C@H]1C[C@H](C(=O)N(CC(C)C)c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000825176354 609523710 /nfs/dbraw/zinc/52/37/10/609523710.db2.gz QKMNEBINOHPMRW-WBVHZDCISA-N -1 3 357.458 3.061 20 0 FGADHM COc1ccc(N(C#N)Cc2cc(-c3nnn[n-]3)ccc2F)cc1Cl ZINC000826209266 609524073 /nfs/dbraw/zinc/52/40/73/609524073.db2.gz UKTTVFFYNBSGEE-UHFFFAOYSA-N -1 3 358.764 3.155 20 0 FGADHM COc1ccc(N(C#N)Cc2cc(-c3nn[n-]n3)ccc2F)cc1Cl ZINC000826209266 609524075 /nfs/dbraw/zinc/52/40/75/609524075.db2.gz UKTTVFFYNBSGEE-UHFFFAOYSA-N -1 3 358.764 3.155 20 0 FGADHM Cc1nc(C2CCN(c3nccc(C)c3-c3nnn[n-]3)CC2)sc1C ZINC000826309856 609544550 /nfs/dbraw/zinc/54/45/50/609544550.db2.gz DFPYDBXGKMJAPL-UHFFFAOYSA-N -1 3 355.471 3.027 20 0 FGADHM Cc1nc(C2CCN(c3nccc(C)c3-c3nn[n-]n3)CC2)sc1C ZINC000826309856 609544551 /nfs/dbraw/zinc/54/45/51/609544551.db2.gz DFPYDBXGKMJAPL-UHFFFAOYSA-N -1 3 355.471 3.027 20 0 FGADHM Cc1c(Cl)cnc(NCc2ccc(OCC3CC3)nc2)c1-c1nnn[n-]1 ZINC000826240447 609544804 /nfs/dbraw/zinc/54/48/04/609544804.db2.gz SXYVHDXWLRRSEB-UHFFFAOYSA-N -1 3 371.832 3.019 20 0 FGADHM Cc1c(Cl)cnc(NCc2ccc(OCC3CC3)nc2)c1-c1nn[n-]n1 ZINC000826240447 609544805 /nfs/dbraw/zinc/54/48/05/609544805.db2.gz SXYVHDXWLRRSEB-UHFFFAOYSA-N -1 3 371.832 3.019 20 0 FGADHM COCc1cc(CNc2ncc(Cl)c(C)c2-c2nnn[n-]2)ccc1F ZINC000826164277 609549629 /nfs/dbraw/zinc/54/96/29/609549629.db2.gz OAJKBZJCPPBLAS-UHFFFAOYSA-N -1 3 362.796 3.121 20 0 FGADHM COCc1cc(CNc2ncc(Cl)c(C)c2-c2nn[n-]n2)ccc1F ZINC000826164277 609549631 /nfs/dbraw/zinc/54/96/31/609549631.db2.gz OAJKBZJCPPBLAS-UHFFFAOYSA-N -1 3 362.796 3.121 20 0 FGADHM CCCCCN(CCCOC)c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000825276005 609577043 /nfs/dbraw/zinc/57/70/43/609577043.db2.gz MAMWRTZJMSWOAI-UHFFFAOYSA-N -1 3 372.395 3.314 20 0 FGADHM CCCCCN(CCCOC)c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000825276005 609577044 /nfs/dbraw/zinc/57/70/44/609577044.db2.gz MAMWRTZJMSWOAI-UHFFFAOYSA-N -1 3 372.395 3.314 20 0 FGADHM Cc1ccc(N2CCN(c3nc4ccccc4cc3-c3nnn[n-]3)CC2)cc1 ZINC000826290272 609594755 /nfs/dbraw/zinc/59/47/55/609594755.db2.gz HIXVOJZBBQFRRQ-UHFFFAOYSA-N -1 3 371.448 3.050 20 0 FGADHM Cc1ccc(N2CCN(c3nc4ccccc4cc3-c3nn[n-]n3)CC2)cc1 ZINC000826290272 609594758 /nfs/dbraw/zinc/59/47/58/609594758.db2.gz HIXVOJZBBQFRRQ-UHFFFAOYSA-N -1 3 371.448 3.050 20 0 FGADHM COc1cccc(C(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)c1F ZINC000826214247 609614208 /nfs/dbraw/zinc/61/42/08/609614208.db2.gz FZCJILFJILTOOD-UHFFFAOYSA-N -1 3 362.748 3.025 20 0 FGADHM COc1cccc(C(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)c1F ZINC000826214247 609614209 /nfs/dbraw/zinc/61/42/09/609614209.db2.gz FZCJILFJILTOOD-UHFFFAOYSA-N -1 3 362.748 3.025 20 0 FGADHM Cc1ccc(C(F)(F)C(=O)OCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000826284288 609625904 /nfs/dbraw/zinc/62/59/04/609625904.db2.gz OZPIIAOOSXKYOV-UHFFFAOYSA-N -1 3 362.311 3.149 20 0 FGADHM Cc1ccc(C(F)(F)C(=O)OCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000826284288 609625905 /nfs/dbraw/zinc/62/59/05/609625905.db2.gz OZPIIAOOSXKYOV-UHFFFAOYSA-N -1 3 362.311 3.149 20 0 FGADHM C[C@H](OC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)c1ccc2ccccc2c1 ZINC000824713692 609636226 /nfs/dbraw/zinc/63/62/26/609636226.db2.gz JXRGUYNKKQXODP-ORAYPTAESA-N -1 3 374.400 3.358 20 0 FGADHM C[C@H](OC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)c1ccc2ccccc2c1 ZINC000824713692 609636228 /nfs/dbraw/zinc/63/62/28/609636228.db2.gz JXRGUYNKKQXODP-ORAYPTAESA-N -1 3 374.400 3.358 20 0 FGADHM CCCc1sc(C(=O)OCC(=O)[N-]C(=O)c2cccs2)cc1CC ZINC000007089998 695562783 /nfs/dbraw/zinc/56/27/83/695562783.db2.gz VDHSDWJHURCYMH-UHFFFAOYSA-N -1 3 365.476 3.438 20 0 FGADHM Cc1cc(Cl)cc(C)c1O[C@H](C)C(=O)N[N-]C(=O)c1ccccc1F ZINC000015385854 695618411 /nfs/dbraw/zinc/61/84/11/695618411.db2.gz ZOGAYIKSPAXJCI-GFCCVEGCSA-N -1 3 364.804 3.324 20 0 FGADHM O=C1[N-]C(=O)/C(=C\c2cc(Cl)c3c(c2)OCCCO3)c2ccccc21 ZINC000015662077 695621015 /nfs/dbraw/zinc/62/10/15/695621015.db2.gz LBTXKXMUMQBPJA-ZSOIEALJSA-N -1 3 355.777 3.312 20 0 FGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)/C=C/c1ccc(Cl)s1 ZINC000024893570 695670955 /nfs/dbraw/zinc/67/09/55/695670955.db2.gz AZLUQZODKFLEBM-VQHVLOKHSA-N -1 3 356.856 3.425 20 0 FGADHM Cc1c([O-])ccc2c(CNc3ccc(Cl)c(C(N)=O)c3)cc(=O)oc12 ZINC000044806542 695812675 /nfs/dbraw/zinc/81/26/75/695812675.db2.gz HNQSDRDQBAZFJT-UHFFFAOYSA-N -1 3 358.781 3.171 20 0 FGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2ccccc2Cl)ccc1F ZINC000046114012 695833206 /nfs/dbraw/zinc/83/32/06/695833206.db2.gz UGQCAZQQCLNULK-UHFFFAOYSA-N -1 3 370.833 3.418 20 0 FGADHM O=C1CCc2cc(S(=O)(=O)[N-]c3ccc(F)cc3Cl)c(F)cc2N1 ZINC000047328616 695857065 /nfs/dbraw/zinc/85/70/65/695857065.db2.gz QRAJFXUSXQSECL-UHFFFAOYSA-N -1 3 372.780 3.304 20 0 FGADHM C[C@H](NC(=O)c1cc2c(cc1[O-])OCO2)c1cccc(OC(F)F)c1 ZINC000053265500 695928318 /nfs/dbraw/zinc/92/83/18/695928318.db2.gz LWBCVFPEBVEEKM-VIFPVBQESA-N -1 3 351.305 3.213 20 0 FGADHM O=S(=O)(/C=C/c1ccc(Cl)cc1)[N-]c1cnn(C[C@H]2CCCO2)c1 ZINC000071977459 695958905 /nfs/dbraw/zinc/95/89/05/695958905.db2.gz JMFOOFUFUFOTBT-MNDMWVCDSA-N -1 3 367.858 3.128 20 0 FGADHM CCN(Cc1nnc(C2CC2)o1)Cc1cc(Br)ccc1[O-] ZINC000076118449 700224814 /nfs/dbraw/zinc/22/48/14/700224814.db2.gz LEEKXFAZJFDWAW-UHFFFAOYSA-N -1 3 352.232 3.437 20 0 FGADHM Cc1oc(-c2cccs2)nc1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000079390017 700298777 /nfs/dbraw/zinc/29/87/77/700298777.db2.gz LCIGFPPPLUPNEU-UHFFFAOYSA-N -1 3 352.379 3.144 20 0 FGADHM Cc1oc(-c2cccs2)nc1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000079390017 700298782 /nfs/dbraw/zinc/29/87/82/700298782.db2.gz LCIGFPPPLUPNEU-UHFFFAOYSA-N -1 3 352.379 3.144 20 0 FGADHM O=C(Nc1cc(Cl)ccc1[O-])[C@H]1CCCN(C(=O)NC2CCCC2)C1 ZINC000081945158 700342325 /nfs/dbraw/zinc/34/23/25/700342325.db2.gz BWJFTNGWFAHGDX-LBPRGKRZSA-N -1 3 365.861 3.348 20 0 FGADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H](c1ccccc1)C1CCC1 ZINC000104742746 700496024 /nfs/dbraw/zinc/49/60/24/700496024.db2.gz DKMYZOUQKRXYNF-CQSZACIVSA-N -1 3 353.875 3.202 20 0 FGADHM O=C(Nc1nc2c(s1)CCCCCC2)c1nnc2ccccc2c1[O-] ZINC000109956324 700537594 /nfs/dbraw/zinc/53/75/94/700537594.db2.gz JVKBFBRTYOYNBQ-UHFFFAOYSA-N -1 3 354.435 3.291 20 0 FGADHM O=C(c1nnc2ccccc2c1[O-])N(Cc1ccc(Cl)cc1)C1CC1 ZINC000111560521 700549129 /nfs/dbraw/zinc/54/91/29/700549129.db2.gz PPQNGMJUEYVATP-UHFFFAOYSA-N -1 3 353.809 3.381 20 0 FGADHM CNc1cc(C(=O)Nc2ccc(Br)cc2[O-])cc(Cl)n1 ZINC000111566118 700549142 /nfs/dbraw/zinc/54/91/42/700549142.db2.gz SMFMVBRMVKBOMW-UHFFFAOYSA-N -1 3 356.607 3.497 20 0 FGADHM Cc1nc(C)c(CC(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)c(=O)[n-]1 ZINC000120057523 700646921 /nfs/dbraw/zinc/64/69/21/700646921.db2.gz HQLVJDOLMHAJBO-LBPRGKRZSA-N -1 3 372.837 3.069 20 0 FGADHM CCc1cc(=O)[n-]c(CN2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)n1 ZINC000120552378 700656633 /nfs/dbraw/zinc/65/66/33/700656633.db2.gz INSIAXJXEHBJCB-IBGZPJMESA-N -1 3 361.873 3.344 20 0 FGADHM O=S(=O)([N-]c1cc(F)ccc1Br)c1ccc(Cl)nc1 ZINC000130493039 700802669 /nfs/dbraw/zinc/80/26/69/700802669.db2.gz PDDPJOCCDKRAPS-UHFFFAOYSA-N -1 3 365.611 3.437 20 0 FGADHM NC(=O)c1ccc(C(=O)[N-]c2nnc(-c3ccc(Cl)cc3)s2)s1 ZINC000134261644 704817767 /nfs/dbraw/zinc/81/77/67/704817767.db2.gz OHSOBMVHIHOURI-UHFFFAOYSA-N -1 3 364.839 3.271 20 0 FGADHM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(N2CCO[C@@H](C)C2)cc1 ZINC000135327274 704842349 /nfs/dbraw/zinc/84/23/49/704842349.db2.gz NUBMNTBKLLZLSC-AWEZNQCLSA-N -1 3 364.442 3.160 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)NC[C@@H](O)c1cc2ccccc2s1 ZINC000151811918 704938548 /nfs/dbraw/zinc/93/85/48/704938548.db2.gz FMEMDOIOSBXFEA-OAHLLOKOSA-N -1 3 360.410 3.279 20 0 FGADHM O=S(=O)([N-]C[C@@H]1CSCCS1)c1cc(Cl)ccc1Cl ZINC000152659147 704970053 /nfs/dbraw/zinc/97/00/53/704970053.db2.gz SZYDTYWWUTXCEG-SECBINFHSA-N -1 3 358.337 3.120 20 0 FGADHM COc1cc(/C=C2\NC(=S)N(Cc3ccccc3)C2=O)cc(Cl)c1[O-] ZINC000152996317 704981776 /nfs/dbraw/zinc/98/17/76/704981776.db2.gz AMRVSVXYHRLUQY-ZSOIEALJSA-N -1 3 374.849 3.312 20 0 FGADHM Cc1cnc(C[N-]S(=O)(=O)c2cc(Br)sc2C)s1 ZINC000155323083 705072327 /nfs/dbraw/zinc/07/23/27/705072327.db2.gz WEBXBHMJAXGTFB-UHFFFAOYSA-N -1 3 367.315 3.062 20 0 FGADHM CC[C@@H]1CCCCCN1C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000155777333 705090574 /nfs/dbraw/zinc/09/05/74/705090574.db2.gz HCXGQQIDCZAKRZ-OAHLLOKOSA-N -1 3 370.490 3.307 20 0 FGADHM O=C([N-]c1nc2ccc(Cl)cn2n1)c1csc(-c2ccccn2)n1 ZINC000157124659 705144498 /nfs/dbraw/zinc/14/44/98/705144498.db2.gz XLSWLUWUCVRKJM-UHFFFAOYSA-N -1 3 356.798 3.154 20 0 FGADHM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc(N2CCOC[C@H]2C)cc1 ZINC000174728025 705516653 /nfs/dbraw/zinc/51/66/53/705516653.db2.gz VJNOILJDJNNCEM-CYBMUJFWSA-N -1 3 364.442 3.160 20 0 FGADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H](C)c1c(F)cccc1Cl ZINC000177580775 705629466 /nfs/dbraw/zinc/62/94/66/705629466.db2.gz GMFHISQFIZIMFH-ZETCQYMHSA-N -1 3 366.245 3.214 20 0 FGADHM CC(C)OC1CCC([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)CC1 ZINC000178803366 705676438 /nfs/dbraw/zinc/67/64/38/705676438.db2.gz QNHTWOQZEKPLKX-UHFFFAOYSA-N -1 3 367.298 3.403 20 0 FGADHM O=Cc1ccc(OCC(=O)Nc2cc(F)ccc2[O-])c(Br)c1 ZINC000179646770 705708624 /nfs/dbraw/zinc/70/86/24/705708624.db2.gz PUSZBSINHLWHDQ-UHFFFAOYSA-N -1 3 368.158 3.124 20 0 FGADHM O=C(NN=c1cccn[n-]1)c1ccc(Br)cc1C(F)(F)F ZINC000180568099 705748232 /nfs/dbraw/zinc/74/82/32/705748232.db2.gz YDYTWDSSXGTINA-UHFFFAOYSA-N -1 3 361.121 3.015 20 0 FGADHM CCc1nsc(N2CCCN(Cc3cccc(Cl)c3[O-])CC2)n1 ZINC000180672410 705752172 /nfs/dbraw/zinc/75/21/72/705752172.db2.gz WJTBDJDMOXSEHQ-UHFFFAOYSA-N -1 3 352.891 3.172 20 0 FGADHM COc1ccc(Sc2nsc([N-]C(=O)c3cccc(F)n3)n2)cc1 ZINC000183995030 705913317 /nfs/dbraw/zinc/91/33/17/705913317.db2.gz PPYIRZNBSRBXJD-UHFFFAOYSA-N -1 3 362.411 3.484 20 0 FGADHM [O-]C(=NOCc1ccc(C(F)(F)F)cc1)Nc1nc2ccccn2n1 ZINC000184332232 712670857 /nfs/dbraw/zinc/67/08/57/712670857.db2.gz KADMCJAEYPVNRM-UHFFFAOYSA-N -1 3 351.288 3.001 20 0 FGADHM O=C([N-]OCc1ccc(C(F)(F)F)cc1)Nc1nc2ccccn2n1 ZINC000184332232 712670858 /nfs/dbraw/zinc/67/08/58/712670858.db2.gz KADMCJAEYPVNRM-UHFFFAOYSA-N -1 3 351.288 3.001 20 0 FGADHM COCCC(C)(C)CNC(=O)N[N-]C(=O)c1ccc(Cl)cc1Cl ZINC000185153311 712686599 /nfs/dbraw/zinc/68/65/99/712686599.db2.gz JNBSASZIZRKXID-UHFFFAOYSA-N -1 3 362.257 3.000 20 0 FGADHM C=C(C)[C@@H](NC(=O)NN=c1ccc(Cl)n[n-]1)c1ccc(F)c(F)c1 ZINC000185482656 712695267 /nfs/dbraw/zinc/69/52/67/712695267.db2.gz ODLYUBUEBUZXNS-CQSZACIVSA-N -1 3 353.760 3.352 20 0 FGADHM C[C@@H]1CC[C@@H](CCC(=O)[N-]OCc2ccc(F)cc2Br)O1 ZINC000186650699 712724275 /nfs/dbraw/zinc/72/42/75/712724275.db2.gz IKUAIXATFNIKDT-MFKMUULPSA-N -1 3 360.223 3.484 20 0 FGADHM Cc1cc(S(=O)(=O)[N-][C@H](C)[C@H](O)c2ccc(F)cc2)sc1Cl ZINC000188039564 712759955 /nfs/dbraw/zinc/75/99/55/712759955.db2.gz FIDAPMBFNFYUOA-RNCFNFMXSA-N -1 3 363.863 3.249 20 0 FGADHM CC(C)(C)OC(=O)NCc1cc(C(=O)[N-]c2nnc(C(F)F)s2)co1 ZINC000188786419 712777426 /nfs/dbraw/zinc/77/74/26/712777426.db2.gz YBQLWTSJLIUWAZ-UHFFFAOYSA-N -1 3 374.369 3.346 20 0 FGADHM C/C=C(\CC)C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000190307903 712810881 /nfs/dbraw/zinc/81/08/81/712810881.db2.gz MGHKGBOGZKTHNP-RUDMXATFSA-N -1 3 350.362 3.372 20 0 FGADHM C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)Cc1c([O-])ccc(Cl)c1F ZINC000191279516 712833425 /nfs/dbraw/zinc/83/34/25/712833425.db2.gz WUFSSOQNZXGEST-JTQLQIEISA-N -1 3 372.849 3.025 20 0 FGADHM O=S(=O)([N-]c1cncc(Cl)c1Cl)c1cccc2nsnc21 ZINC000192835975 712874992 /nfs/dbraw/zinc/87/49/92/712874992.db2.gz KDURMRNMOXHFMJ-UHFFFAOYSA-N -1 3 361.235 3.194 20 0 FGADHM CC1(C)CCCC[C@@H]1C(=O)NN=c1[n-]c(Br)cn2ccnc12 ZINC000193128570 712882741 /nfs/dbraw/zinc/88/27/41/712882741.db2.gz OHFCPEUBJSTANV-SNVBAGLBSA-N -1 3 366.263 3.151 20 0 FGADHM CCCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3)c(C)c1 ZINC000194225727 713514865 /nfs/dbraw/zinc/51/48/65/713514865.db2.gz QMKFKRJTHHUHFB-UHFFFAOYSA-N -1 3 360.435 3.079 20 0 FGADHM O=C(NN=Cc1cc(Br)ccc1[O-])c1ccc2ccccc2n1 ZINC000254824749 713676802 /nfs/dbraw/zinc/67/68/02/713676802.db2.gz QVPYALHPZLFTPX-UHFFFAOYSA-N -1 3 370.206 3.467 20 0 FGADHM O=C(/C=C\c1cncc(F)c1)NCc1ccc([O-])c(Br)c1 ZINC000254987298 713679352 /nfs/dbraw/zinc/67/93/52/713679352.db2.gz ASNFHJMCSOVUGV-RQOWECAXSA-N -1 3 351.175 3.018 20 0 FGADHM Cc1cc(=O)[n-]c(-c2ccc(NS(=O)(=O)CCC3CCCC3)cc2)n1 ZINC000641680814 717919532 /nfs/dbraw/zinc/91/95/32/717919532.db2.gz ADWWQCOTZLRPQT-UHFFFAOYSA-N -1 3 361.467 3.067 20 0 FGADHM COCC1(S(=O)(=O)[N-]c2ccc(Oc3nc(C)cs3)c(F)c2)CC1 ZINC000641686511 717921122 /nfs/dbraw/zinc/92/11/22/717921122.db2.gz URAJPMJLTNRJQJ-UHFFFAOYSA-N -1 3 372.443 3.304 20 0 FGADHM CO[C@@H](CS(=O)(=O)[N-]c1cccc(CO)c1Cl)C1CCCCC1 ZINC000641689752 717921260 /nfs/dbraw/zinc/92/12/60/717921260.db2.gz HVPBHYRYNRKADK-HNNXBMFYSA-N -1 3 361.891 3.169 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1)c1nc([C@H]2CCCS2)no1 ZINC000274097232 713754789 /nfs/dbraw/zinc/75/47/89/713754789.db2.gz HRKYAINCFDTXME-JOYOIKCWSA-N -1 3 373.887 3.331 20 0 FGADHM COc1ccc([C@@H]([N-]S(=O)(=O)c2c(F)cccc2F)C2CC2)cc1 ZINC000302900894 713784140 /nfs/dbraw/zinc/78/41/40/713784140.db2.gz WXZIMQIKMNYCSE-INIZCTEOSA-N -1 3 353.390 3.403 20 0 FGADHM O=S(=O)([N-]c1cc(Cl)cnc1Br)c1cccc(F)c1 ZINC000311473016 713801943 /nfs/dbraw/zinc/80/19/43/713801943.db2.gz JGPSPGDVQZJNOZ-UHFFFAOYSA-N -1 3 365.611 3.437 20 0 FGADHM Cc1cc(S(=O)(=O)[N-][C@H](C)[C@H]2CCCCO2)sc1Br ZINC000379229228 713975660 /nfs/dbraw/zinc/97/56/60/713975660.db2.gz NZTFNFQAQSSRFI-NXEZZACHSA-N -1 3 368.318 3.055 20 0 FGADHM Cc1cc(S(=O)(=O)[N-][C@H](C)[C@@H]2CCCCO2)sc1Br ZINC000379229255 713975671 /nfs/dbraw/zinc/97/56/71/713975671.db2.gz NZTFNFQAQSSRFI-ZJUUUORDSA-N -1 3 368.318 3.055 20 0 FGADHM O=S(=O)([N-]CC(F)(F)Br)c1cccc2ccccc21 ZINC000381932551 713979561 /nfs/dbraw/zinc/97/95/61/713979561.db2.gz XDRNEEUQFVCMGR-UHFFFAOYSA-N -1 3 350.184 3.106 20 0 FGADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1[nH]c2ccccc2c1Cl ZINC000427085470 714019445 /nfs/dbraw/zinc/01/94/45/714019445.db2.gz FPEVOYYPBDRBEH-UHFFFAOYSA-N -1 3 352.785 3.178 20 0 FGADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1[nH]c2ccccc2c1Cl ZINC000427085470 714019449 /nfs/dbraw/zinc/01/94/49/714019449.db2.gz FPEVOYYPBDRBEH-UHFFFAOYSA-N -1 3 352.785 3.178 20 0 FGADHM FC(F)(F)[C@@H]1CC(N=c2ncnc3[nH][n-]cc2-3)C[C@@H](C(F)(F)F)C1 ZINC000642186564 717957100 /nfs/dbraw/zinc/95/71/00/717957100.db2.gz ACDOGRIAZOTCMD-BQBZGAKWSA-N -1 3 353.270 3.048 20 0 FGADHM COc1c(C)cc(S(=O)(=O)[N-]c2ccc3c(c2)OCCCO3)cc1C ZINC000642315881 717965934 /nfs/dbraw/zinc/96/59/34/717965934.db2.gz HGSWAJOUKSBZQQ-UHFFFAOYSA-N -1 3 363.435 3.274 20 0 FGADHM COc1cc(CC[N-]S(=O)(=O)c2cccc(Cl)c2F)ccc1C ZINC000524636534 714293117 /nfs/dbraw/zinc/29/31/17/714293117.db2.gz DQVXCNKOEHMRMY-UHFFFAOYSA-N -1 3 357.834 3.317 20 0 FGADHM COC[C@H]([N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1)C(C)C 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CCNc1ccc(Cl)cc1C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000636322006 717262452 /nfs/dbraw/zinc/26/24/52/717262452.db2.gz ZIZWWFBUIHBAAD-UHFFFAOYSA-N -1 3 360.845 3.465 20 0 FGADHM O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000636319507 717262605 /nfs/dbraw/zinc/26/26/05/717262605.db2.gz TUSZSPYFUTVLAA-VXGBXAGGSA-N -1 3 357.376 3.435 20 0 FGADHM C[C@H](c1ccc(OC(F)(F)F)cc1)N1CCC[C@@H](c2n[n-]c(=N)o2)C1 ZINC000639822718 717613012 /nfs/dbraw/zinc/61/30/12/717613012.db2.gz WMDCWLWVEBPZOL-ZYHUDNBSSA-N -1 3 356.348 3.321 20 0 FGADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)N[C@@H]1C[C@@H]1Cc1ccccc1 ZINC000640291985 717712587 /nfs/dbraw/zinc/71/25/87/717712587.db2.gz HGAXUVAUEZSDMO-WCQYABFASA-N -1 3 372.778 3.273 20 0 FGADHM CC[C@@H](NC(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl)c1nccs1 ZINC000640291512 717713008 /nfs/dbraw/zinc/71/30/08/717713008.db2.gz BYKCFXKBPKEOES-MRVPVSSYSA-N -1 3 367.784 3.250 20 0 FGADHM C[C@]1(c2ccccc2)C[C@@H]1NC(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000640293972 717714802 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ZINC000648431472 718425984 /nfs/dbraw/zinc/42/59/84/718425984.db2.gz XPXAUHGARBBTGC-UHFFFAOYSA-N -1 3 358.751 3.354 20 0 FGADHM COc1cccc([C@H](C)C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)c1 ZINC000648433168 718426306 /nfs/dbraw/zinc/42/63/06/718426306.db2.gz WAWVVUUAKCHFMF-VIFPVBQESA-N -1 3 361.751 3.272 20 0 FGADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)c1cccc([C@@H]2CCOC2)c1 ZINC000648432352 718426332 /nfs/dbraw/zinc/42/63/32/718426332.db2.gz ZJLRAVCADKCQBS-GFCCVEGCSA-N -1 3 373.762 3.277 20 0 FGADHM CSc1nsc([N-]C(=O)c2sc([C@@H]3CCCOC3)nc2C)n1 ZINC000648508216 718432650 /nfs/dbraw/zinc/43/26/50/718432650.db2.gz BKRQHFJAUWKKLL-MRVPVSSYSA-N -1 3 356.498 3.171 20 0 FGADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)C2(CF)CCC2)CC1 ZINC000648824405 718452706 /nfs/dbraw/zinc/45/27/06/718452706.db2.gz SNVRCPRTGFVLEF-UHFFFAOYSA-N -1 3 368.836 3.363 20 0 FGADHM CC(C)(C)c1cc(C(=O)Nc2nc(-c3ccc([O-])c(Cl)c3)n[nH]2)n[nH]1 ZINC000649417554 718512915 /nfs/dbraw/zinc/51/29/15/718512915.db2.gz JFPWQAYEAOMQOV-UHFFFAOYSA-N -1 3 360.805 3.104 20 0 FGADHM COC1(C[C@H](NCc2c(Cl)cccc2OC(F)F)C(=O)[O-])CCC1 ZINC000649512481 718523203 /nfs/dbraw/zinc/52/32/03/718523203.db2.gz JOGCXOIFBUTMAN-LBPRGKRZSA-N -1 3 363.788 3.443 20 0 FGADHM CC[C@](C)([N-]S(=O)(=O)c1ccc(OC)c2cccnc21)C(F)(F)F ZINC000649603173 718536847 /nfs/dbraw/zinc/53/68/47/718536847.db2.gz UEPJXKJPBDVMGB-AWEZNQCLSA-N -1 3 362.373 3.253 20 0 FGADHM COc1c(F)cc(Br)cc1S(=O)(=O)[N-][C@@H]1CC[C@H](C)C1 ZINC000780914227 724514473 /nfs/dbraw/zinc/51/44/73/724514473.db2.gz UZRKFJRELZOKGC-WCBMZHEXSA-N -1 3 366.252 3.064 20 0 FGADHM Cc1ccc(-c2nc(CS(=O)(=O)c3nnc(C(C)(C)C)[n-]3)cs2)o1 ZINC000650193863 718637846 /nfs/dbraw/zinc/63/78/46/718637846.db2.gz YMMUSWRFGRTOFI-UHFFFAOYSA-N -1 3 366.468 3.101 20 0 FGADHM COc1cc([N-]S(=O)(=O)C[C@H](CC(C)C)OC)cc(Cl)c1OC ZINC000650217268 718642950 /nfs/dbraw/zinc/64/29/50/718642950.db2.gz YLBAKQQQCPERHL-LBPRGKRZSA-N -1 3 365.879 3.160 20 0 FGADHM O=C([N-][C@@H](CCO)c1ccc(Cl)c(Cl)c1)C(F)(F)C1(O)CCC1 ZINC000804522190 724524594 /nfs/dbraw/zinc/52/45/94/724524594.db2.gz XGCFHGZDDNDJIK-LBPRGKRZSA-N -1 3 368.207 3.083 20 0 FGADHM O=S(=O)([N-]C1CCC(OC(F)F)CC1)c1cc(F)ccc1Cl ZINC000650295070 718654450 /nfs/dbraw/zinc/65/44/50/718654450.db2.gz RHEPWCCXJWAGBG-UHFFFAOYSA-N -1 3 357.781 3.308 20 0 FGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C)COCC2CC2)c1Cl ZINC000651887344 718884196 /nfs/dbraw/zinc/88/41/96/718884196.db2.gz RAXLBJUPSWLATC-JTQLQIEISA-N -1 3 352.283 3.395 20 0 FGADHM COc1ccc(-c2nc(CN[C@@H](C)[C@@H](C)C(=O)[O-])cs2)c(OC)c1 ZINC000652365195 718937260 /nfs/dbraw/zinc/93/72/60/718937260.db2.gz XMJBLSXZWBAAJD-MNOVXSKESA-N -1 3 350.440 3.026 20 0 FGADHM C[C@@H](Cc1ccco1)[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000804946931 724568072 /nfs/dbraw/zinc/56/80/72/724568072.db2.gz UIXKMPQVVGPHDC-VIFPVBQESA-N -1 3 367.320 3.227 20 0 FGADHM CN(CCCC[N-]S(=O)(=O)c1cnc(Cl)c(F)c1)c1ccccc1 ZINC000804964640 724569079 /nfs/dbraw/zinc/56/90/79/724569079.db2.gz OJFXEJYVTXYMAY-UHFFFAOYSA-N -1 3 371.865 3.069 20 0 FGADHM O=S(=O)([N-][C@@H]1CCCOc2ccccc21)c1cnc(Cl)c(F)c1 ZINC000804978525 724570442 /nfs/dbraw/zinc/57/04/42/724570442.db2.gz VRQNCVYRHSTHSH-CYBMUJFWSA-N -1 3 356.806 3.066 20 0 FGADHM Cc1cc(C(F)(F)F)ccc1CNC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000655020027 719256679 /nfs/dbraw/zinc/25/66/79/719256679.db2.gz FBBDYEZQUKHGGM-UHFFFAOYSA-N -1 3 351.328 3.317 20 0 FGADHM COc1ccc(C)cc1S(=O)(=O)[N-][C@@H](c1ccc(C)o1)C(F)(F)F ZINC000655660484 719320214 /nfs/dbraw/zinc/32/02/14/719320214.db2.gz DZUZJNWOYAMRME-AWEZNQCLSA-N -1 3 363.357 3.487 20 0 FGADHM COc1cc(C=Cc2nc(C(F)(F)F)cc(=O)[n-]2)cc(OC)c1OC ZINC000656105823 719361763 /nfs/dbraw/zinc/36/17/63/719361763.db2.gz FOWNSEIAIYCMGS-PLNGDYQASA-N -1 3 356.300 3.397 20 0 FGADHM Cc1cc(N(C)C)cc(C)c1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)CC2 ZINC000656184631 719370964 /nfs/dbraw/zinc/37/09/64/719370964.db2.gz ZAWDTBFHOXQEEZ-UHFFFAOYSA-N -1 3 358.463 3.299 20 0 FGADHM CCC(C)(C)N1CCN([C@@H](C(=O)[O-])c2cccc(Br)c2)CC1 ZINC000656191333 719372520 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COC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)c1cccc(OC)c1 ZINC000657108684 719564600 /nfs/dbraw/zinc/56/46/00/719564600.db2.gz JMHPBVRJZFXBFH-HNNXBMFYSA-N -1 3 373.833 3.154 20 0 FGADHM C[C@H]1c2ccccc2C[C@H]1[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000657110167 719565114 /nfs/dbraw/zinc/56/51/14/719565114.db2.gz DETURFUDGJVXOS-GXFFZTMASA-N -1 3 356.369 3.107 20 0 FGADHM CO[C@@H](CSc1nc2c(cnn2Cc2ccccc2)c(=O)[n-]1)C1CC1 ZINC000657285090 719617768 /nfs/dbraw/zinc/61/77/68/719617768.db2.gz WJYLGGADEJCEHF-HNNXBMFYSA-N -1 3 356.451 3.097 20 0 FGADHM CC(C)[C@H](O)[C@H]([N-]S(=O)(=O)c1ccc(Cl)s1)c1ccccc1 ZINC000660031524 719976992 /nfs/dbraw/zinc/97/69/92/719976992.db2.gz YDNQPTMHAFCMME-CABCVRRESA-N -1 3 359.900 3.438 20 0 FGADHM CCc1cc(=O)[n-]c(CN2CCc3nc(-c4ccccc4)sc3C2)n1 ZINC000661540188 720273149 /nfs/dbraw/zinc/27/31/49/720273149.db2.gz LOBPDNMBZOOLGN-UHFFFAOYSA-N -1 3 352.463 3.426 20 0 FGADHM COc1ncc(Br)cc1CN1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21 ZINC000662205667 720393846 /nfs/dbraw/zinc/39/38/46/720393846.db2.gz MJECVPOOOSFCEJ-SWHYSGLUSA-N -1 3 369.259 3.070 20 0 FGADHM COCc1cccc(S(=O)(=O)[N-]c2ccc(O[C@@H]3CC3(F)F)cc2)c1 ZINC000663261767 720494482 /nfs/dbraw/zinc/49/44/82/720494482.db2.gz NKHOEJUAACGIOV-MRXNPFEDSA-N -1 3 369.389 3.420 20 0 FGADHM CC(C)c1cccc(CS(=O)(=O)Cc2nc(C(F)(F)F)cc(=O)[n-]2)c1 ZINC000663295985 720498705 /nfs/dbraw/zinc/49/87/05/720498705.db2.gz OQPARQRCWQFDEH-UHFFFAOYSA-N -1 3 374.384 3.439 20 0 FGADHM CCO[C@H](CC)c1noc([C@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000665029362 720723767 /nfs/dbraw/zinc/72/37/67/720723767.db2.gz LLJGBMDJPCROQP-GXFFZTMASA-N -1 3 373.862 3.250 20 0 FGADHM O=S(=O)([N-]CCc1ccc(F)c(F)c1)c1cnc(Cl)c(Cl)c1 ZINC000786872198 725004731 /nfs/dbraw/zinc/00/47/31/725004731.db2.gz SHPTXKPOWWWBRN-UHFFFAOYSA-N -1 3 367.204 3.188 20 0 FGADHM CCc1ccc(-c2csc([N-]C(=O)c3nnn(C(C)(C)C)n3)n2)s1 ZINC000668473516 721296220 /nfs/dbraw/zinc/29/62/20/721296220.db2.gz WFYOMDYVQVKPLI-UHFFFAOYSA-N -1 3 362.484 3.428 20 0 FGADHM O=C(NCCc1c[nH]c2cc(Cl)ccc12)c1cc(F)cc2n[n-]nc21 ZINC000669697805 721479390 /nfs/dbraw/zinc/47/93/90/721479390.db2.gz VCNPQBGMCHCMNY-UHFFFAOYSA-N -1 3 357.776 3.204 20 0 FGADHM CC(C)(C)c1cc(CS(=O)(=O)[N-][C@@H]2COc3c2cccc3Cl)no1 ZINC000671176722 721571527 /nfs/dbraw/zinc/57/15/27/721571527.db2.gz RSRYEYPRYSBQBH-CYBMUJFWSA-N -1 3 370.858 3.179 20 0 FGADHM C[C@H](C[C@H]1CCOC1)[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000671679143 721607216 /nfs/dbraw/zinc/60/72/16/721607216.db2.gz OXYLUCYWFNPZDR-NXEZZACHSA-N -1 3 371.808 3.452 20 0 FGADHM O=S(=O)([N-]C[C@@H](CO)c1ccc(Cl)cc1)c1ccc(Cl)s1 ZINC000672428006 721633514 /nfs/dbraw/zinc/63/35/14/721633514.db2.gz DCKBKDYGVIKXAC-JTQLQIEISA-N -1 3 366.291 3.109 20 0 FGADHM COc1ccc2c(c1)OCC[C@@H]2[N-]S(=O)(=O)c1ccccc1SC ZINC000672774157 721643528 /nfs/dbraw/zinc/64/35/28/721643528.db2.gz AUMQGIXUUHJDHI-AWEZNQCLSA-N -1 3 365.476 3.219 20 0 FGADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@H](C)CF)c2)cc1 ZINC000673389439 721660962 /nfs/dbraw/zinc/66/09/62/721660962.db2.gz KENFFOIUFVNYOW-CQSZACIVSA-N -1 3 364.442 3.192 20 0 FGADHM CSc1cc(C(=O)NCCCc2cc(=O)[nH][n-]2)c(Cl)cc1Cl ZINC000673544725 721665241 /nfs/dbraw/zinc/66/52/41/721665241.db2.gz HQQMLPFURJGMMR-UHFFFAOYSA-N -1 3 360.266 3.101 20 0 FGADHM Cc1c(Br)cccc1S(=O)(=O)[N-]c1ccc2nccn2c1 ZINC000673897625 721676430 /nfs/dbraw/zinc/67/64/30/721676430.db2.gz KLFCKZWIXYCPTN-UHFFFAOYSA-N -1 3 366.240 3.206 20 0 FGADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)[C@H]1CC12CCC2 ZINC000675325877 721748363 /nfs/dbraw/zinc/74/83/63/721748363.db2.gz SIMJVTBPGFQRPS-SNVBAGLBSA-N -1 3 362.373 3.206 20 0 FGADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C[C@@H](OC)C3)c(C)c1 ZINC000783861981 724797407 /nfs/dbraw/zinc/79/74/07/724797407.db2.gz KDSRLCZAFYYQSC-SFHVURJKSA-N -1 3 361.463 3.308 20 0 FGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]CC1([C@@H](O)C(C)C)CC1 ZINC000678841513 721984491 /nfs/dbraw/zinc/98/44/91/721984491.db2.gz WSBZRUXYQRLGLH-HNNXBMFYSA-N -1 3 371.886 3.470 20 0 FGADHM O=c1[n-]cnc2c1CCN(c1nc3cc(C(F)(F)F)ccc3s1)C2 ZINC000680063382 722064795 /nfs/dbraw/zinc/06/47/95/722064795.db2.gz UQZMMMVIJVAESN-UHFFFAOYSA-N -1 3 352.341 3.373 20 0 FGADHM O=S(=O)([N-][C@@H]1COc2cc(F)cc(F)c21)c1cc(F)ccc1Cl ZINC000680106873 722071264 /nfs/dbraw/zinc/07/12/64/722071264.db2.gz CQJLJISQTZGSKT-LLVKDONJSA-N -1 3 363.744 3.169 20 0 FGADHM CCC(CC)(C(=O)N1CCc2c(=O)[n-]cnc2C1)c1ccc(Cl)cc1 ZINC000680222789 722096473 /nfs/dbraw/zinc/09/64/73/722096473.db2.gz JFHOJSCRZPXBMN-UHFFFAOYSA-N -1 3 359.857 3.478 20 0 FGADHM COc1ccc([C@@H]2Nc3ccccc3C(=O)N2C)c(Br)c1[O-] ZINC000680643988 722141618 /nfs/dbraw/zinc/14/16/18/722141618.db2.gz HNFHQWFGOWIKMR-OAHLLOKOSA-N -1 3 363.211 3.360 20 0 FGADHM O=S(=O)([N-][C@H]1CCCOc2ccccc21)c1cnccc1C(F)(F)F ZINC000682366782 722243531 /nfs/dbraw/zinc/24/35/31/722243531.db2.gz CXDYLZZEURXQPT-ZDUSSCGKSA-N -1 3 372.368 3.293 20 0 FGADHM CCOc1cccc(CC[N-]S(=O)(=O)c2cc(C)c(Cl)s2)n1 ZINC000682730178 722263829 /nfs/dbraw/zinc/26/38/29/722263829.db2.gz 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358.496 3.093 20 0 FGADHM CC[C@@H](OC1CCCC1)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000736376760 722523046 /nfs/dbraw/zinc/52/30/46/722523046.db2.gz LVHQYKUYIGFUJB-GFCCVEGCSA-N -1 3 361.471 3.093 20 0 FGADHM CC[C@@H](OC1CCCC1)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000736376760 722523047 /nfs/dbraw/zinc/52/30/47/722523047.db2.gz LVHQYKUYIGFUJB-GFCCVEGCSA-N -1 3 361.471 3.093 20 0 FGADHM O=S(=O)([N-][C@H]1CCC[C@H]1Cc1ccccc1)c1cccnc1Cl ZINC000738393710 722530270 /nfs/dbraw/zinc/53/02/70/722530270.db2.gz YRGSGOYGPIVLHY-GJZGRUSLSA-N -1 3 350.871 3.425 20 0 FGADHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-]C[C@@H](C)c2cccc(C)c2)c1 ZINC000741259473 722543950 /nfs/dbraw/zinc/54/39/50/722543950.db2.gz LNZQLJWIKXLKGH-CYBMUJFWSA-N -1 3 365.426 3.003 20 0 FGADHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)C12CCC2 ZINC000742307167 722554891 /nfs/dbraw/zinc/55/48/91/722554891.db2.gz PGZBIKFAVPFBCV-WDEREUQCSA-N -1 3 365.282 3.014 20 0 FGADHM O=C(Nc1cc(Cl)ccc1[O-])c1cc(N2CCOC2=O)ccc1F ZINC000743317331 722565753 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O=C(CCOc1ccccc1)[N-]OCc1nnc(-c2ccccc2)s1 ZINC000766408655 723572370 /nfs/dbraw/zinc/57/23/70/723572370.db2.gz JAIPKFBVPFYZBH-UHFFFAOYSA-N -1 3 355.419 3.222 20 0 FGADHM CC(C)(C)c1cc(CS(=O)(=O)[N-]c2cccc(-c3cn[nH]c3)c2)no1 ZINC000795346049 723583641 /nfs/dbraw/zinc/58/36/41/723583641.db2.gz UBFSLSJOPOYLQG-UHFFFAOYSA-N -1 3 360.439 3.304 20 0 FGADHM C[C@@H](CO[N-]C(=O)C[C@H](C)c1ccc(F)cc1)NC(=O)OC(C)(C)C ZINC000767161650 723608943 /nfs/dbraw/zinc/60/89/43/723608943.db2.gz AYOGVRBDKHGDLB-STQMWFEESA-N -1 3 354.422 3.280 20 0 FGADHM C[C@H](CC(=O)[N-]OC[C@H](C)NC(=O)OC(C)(C)C)c1cccc(F)c1 ZINC000767180839 723609757 /nfs/dbraw/zinc/60/97/57/723609757.db2.gz ZSABEFHPWUINRX-OLZOCXBDSA-N -1 3 354.422 3.280 20 0 FGADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)[C@@H](O)c2ccc(C)cc2)sc1Cl ZINC000796107334 723621769 /nfs/dbraw/zinc/62/17/69/723621769.db2.gz XNLXYILEGDCPJI-SMDDNHRTSA-N -1 3 359.900 3.419 20 0 FGADHM CC/C=C/CCOC(=O)c1c(Cl)ccc(S(=O)(=O)[N-]C)c1Cl ZINC000767566620 723623803 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Cc1ccc(S(=O)(=O)[N-]C2(c3ccc4c(c3)OCCO4)CCCC2)o1 ZINC000773282450 723781226 /nfs/dbraw/zinc/78/12/26/723781226.db2.gz KRBZTXMIGSTZEY-UHFFFAOYSA-N -1 3 363.435 3.107 20 0 FGADHM C[C@@H]1CCC[C@@H](NC(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)CC1 ZINC000798464802 723934325 /nfs/dbraw/zinc/93/43/25/723934325.db2.gz KSGQUVLCZCTKBD-TZMCWYRMSA-N -1 3 363.424 3.055 20 0 FGADHM O=S(=O)([N-]Cc1cc(Cl)ccn1)c1ccc(F)cc1C(F)(F)F ZINC000775594852 724004873 /nfs/dbraw/zinc/00/48/73/724004873.db2.gz LPVNGEFGIGGDPX-UHFFFAOYSA-N -1 3 368.739 3.371 20 0 FGADHM O=C(COC(=O)c1cccc(Cl)c1[O-])N1CCC[C@H]2CCCC[C@H]21 ZINC000775934419 724085337 /nfs/dbraw/zinc/08/53/37/724085337.db2.gz OBDOIMNXEGQUSY-IUODEOHRSA-N -1 3 351.830 3.384 20 0 FGADHM O=C(O[C@H]1CCN(c2c(F)cccc2F)C1=O)c1cccc(Cl)c1[O-] ZINC000775933256 724085805 /nfs/dbraw/zinc/08/58/05/724085805.db2.gz IQIIWIOLAMKWGP-ZDUSSCGKSA-N -1 3 367.735 3.286 20 0 FGADHM CN(C(=O)NCc1nc(C(F)(F)F)n[n-]1)[C@H]1CCCc2ccccc21 ZINC000776253788 724123890 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O=C([N-]OC/C=C/Cl)[C@H]1CCCN(c2ncccc2C(F)(F)F)C1 ZINC000812408499 725396362 /nfs/dbraw/zinc/39/63/62/725396362.db2.gz UKZWRTPKVJXHKL-GQOHGMTASA-N -1 3 363.767 3.117 20 0 FGADHM O=C([N-]CCc1cccc(C(F)(F)F)n1)C(F)(F)c1nccs1 ZINC000817452620 727253539 /nfs/dbraw/zinc/25/35/39/727253539.db2.gz SFELJOOAYAWQRI-UHFFFAOYSA-N -1 3 351.300 3.008 20 0 FGADHM CC(C)C(=O)Nc1ccc(Oc2ncc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000820012282 728961397 /nfs/dbraw/zinc/96/13/97/728961397.db2.gz XKIBGUJSZKZSAF-UHFFFAOYSA-N -1 3 358.789 3.302 20 0 FGADHM CC(C)C(=O)Nc1ccc(Oc2ncc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000820012282 728961399 /nfs/dbraw/zinc/96/13/99/728961399.db2.gz XKIBGUJSZKZSAF-UHFFFAOYSA-N -1 3 358.789 3.302 20 0 FGADHM O=C(N[C@@H](CCO)C(F)(F)F)c1cc(Cc2ccccc2)ccc1[O-] ZINC000820316755 728984469 /nfs/dbraw/zinc/98/44/69/728984469.db2.gz XKNMYTGZTMVUPG-INIZCTEOSA-N -1 3 353.340 3.026 20 0 FGADHM C[C@H]1CCc2c(sc(NC(=O)CCc3ccoc3)c2-c2nnn[n-]2)C1 ZINC000820728095 729022427 /nfs/dbraw/zinc/02/24/27/729022427.db2.gz SMPOBBUNFQZHAK-JTQLQIEISA-N -1 3 357.439 3.217 20 0 FGADHM C[C@H]1CCc2c(sc(NC(=O)CCc3ccoc3)c2-c2nn[n-]n2)C1 ZINC000820728095 729022430 /nfs/dbraw/zinc/02/24/30/729022430.db2.gz SMPOBBUNFQZHAK-JTQLQIEISA-N -1 3 357.439 3.217 20 0 FGADHM C[C@@H]1CCc2c(sc(NC(=O)CCc3ccoc3)c2-c2nnn[n-]2)C1 ZINC000820728096 729022456 /nfs/dbraw/zinc/02/24/56/729022456.db2.gz SMPOBBUNFQZHAK-SNVBAGLBSA-N -1 3 357.439 3.217 20 0 FGADHM C[C@@H]1CCc2c(sc(NC(=O)CCc3ccoc3)c2-c2nn[n-]n2)C1 ZINC000820728096 729022459 /nfs/dbraw/zinc/02/24/59/729022459.db2.gz SMPOBBUNFQZHAK-SNVBAGLBSA-N -1 3 357.439 3.217 20 0 FGADHM CC[C@@H](Cc1ccccc1C)C(=O)OCC(=O)[N-]C(=O)c1cccs1 ZINC000820877266 729039850 /nfs/dbraw/zinc/03/98/50/729039850.db2.gz DLWJFPBGAQNTNU-AWEZNQCLSA-N -1 3 359.447 3.125 20 0 FGADHM Cc1c(Br)ccc([O-])c1NC(=O)c1cc(C2CC2)nn1C ZINC000820981693 729048394 /nfs/dbraw/zinc/04/83/94/729048394.db2.gz TUSQZHBMMJSFBL-UHFFFAOYSA-N -1 3 350.216 3.326 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(N=S(C)(C)=O)cc2)c(C)c1 ZINC000821106715 729058419 /nfs/dbraw/zinc/05/84/19/729058419.db2.gz MVGDXASHMAVUNJ-UHFFFAOYSA-N -1 3 368.480 3.164 20 0 FGADHM CC(C)CCNC(=O)[C@@H](C)Sc1cccc(Cl)c1-c1nnn[n-]1 ZINC000824249585 729326913 /nfs/dbraw/zinc/32/69/13/729326913.db2.gz PPEYTODMOCKXSZ-SNVBAGLBSA-N -1 3 353.879 3.163 20 0 FGADHM CC(C)CCNC(=O)[C@@H](C)Sc1cccc(Cl)c1-c1nn[n-]n1 ZINC000824249585 729326915 /nfs/dbraw/zinc/32/69/15/729326915.db2.gz PPEYTODMOCKXSZ-SNVBAGLBSA-N -1 3 353.879 3.163 20 0 FGADHM CC(C)CNC(=O)[C@H](C)Sc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000824266803 729327674 /nfs/dbraw/zinc/32/76/74/729327674.db2.gz QLGKQAWAXJUAGC-VIFPVBQESA-N -1 3 373.404 3.138 20 0 FGADHM CC(C)CNC(=O)[C@H](C)Sc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000824266803 729327675 /nfs/dbraw/zinc/32/76/75/729327675.db2.gz QLGKQAWAXJUAGC-VIFPVBQESA-N -1 3 373.404 3.138 20 0 FGADHM CC(C)N1CCC[C@H](Sc2cccc(Cl)c2-c2nnn[n-]2)C1=O ZINC000824300108 729329527 /nfs/dbraw/zinc/32/95/27/729329527.db2.gz CTIYWYVCLZUJMX-LBPRGKRZSA-N -1 3 351.863 3.012 20 0 FGADHM CC(C)N1CCC[C@H](Sc2cccc(Cl)c2-c2nn[n-]n2)C1=O ZINC000824300108 729329528 /nfs/dbraw/zinc/32/95/28/729329528.db2.gz CTIYWYVCLZUJMX-LBPRGKRZSA-N -1 3 351.863 3.012 20 0 FGADHM C[C@@H](CC(=O)Nc1cccc(Cl)c1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000824385365 729335203 /nfs/dbraw/zinc/33/52/03/729335203.db2.gz RJKSLBRJNAXMLP-NSHDSACASA-N -1 3 356.817 3.349 20 0 FGADHM C[C@@H](CC(=O)Nc1cccc(Cl)c1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000824385365 729335205 /nfs/dbraw/zinc/33/52/05/729335205.db2.gz RJKSLBRJNAXMLP-NSHDSACASA-N -1 3 356.817 3.349 20 0 FGADHM CCN(C(=O)[C@@H]1CCCCS1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825367945 729380603 /nfs/dbraw/zinc/38/06/03/729380603.db2.gz YDXCBNDRNNYNKF-ZDUSSCGKSA-N -1 3 351.863 3.159 20 0 FGADHM CCN(C(=O)[C@@H]1CCCCS1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825367945 729380604 /nfs/dbraw/zinc/38/06/04/729380604.db2.gz YDXCBNDRNNYNKF-ZDUSSCGKSA-N -1 3 351.863 3.159 20 0 FGADHM CCS[C@H]1CCCC[C@@H]1NC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000825668290 729390929 /nfs/dbraw/zinc/39/09/29/729390929.db2.gz DFQPFRIZLBIVRJ-KBPBESRZSA-N -1 3 365.890 3.314 20 0 FGADHM CCS[C@H]1CCCC[C@@H]1NC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000825668290 729390930 /nfs/dbraw/zinc/39/09/30/729390930.db2.gz DFQPFRIZLBIVRJ-KBPBESRZSA-N -1 3 365.890 3.314 20 0 FGADHM Cc1c(Cl)cnc(NC[C@H]2CCOc3ccccc32)c1-c1nnn[n-]1 ZINC000826239442 729406626 /nfs/dbraw/zinc/40/66/26/729406626.db2.gz HYFOIQYDONJBIA-LLVKDONJSA-N -1 3 356.817 3.202 20 0 FGADHM Cc1c(Cl)cnc(NC[C@H]2CCOc3ccccc32)c1-c1nn[n-]n1 ZINC000826239442 729406628 /nfs/dbraw/zinc/40/66/28/729406628.db2.gz HYFOIQYDONJBIA-LLVKDONJSA-N -1 3 356.817 3.202 20 0 FGADHM Cc1c(Cl)cnc(N[C@H](C(=O)OC(C)(C)C)C(C)C)c1-c1nnn[n-]1 ZINC000826240546 729406739 /nfs/dbraw/zinc/40/67/39/729406739.db2.gz ZAVAPLFMHXBRCM-LBPRGKRZSA-N -1 3 366.853 3.002 20 0 FGADHM Cc1c(Cl)cnc(N[C@H](C(=O)OC(C)(C)C)C(C)C)c1-c1nn[n-]n1 ZINC000826240546 729406741 /nfs/dbraw/zinc/40/67/41/729406741.db2.gz ZAVAPLFMHXBRCM-LBPRGKRZSA-N -1 3 366.853 3.002 20 0 FGADHM Cc1cc(NCc2cc(-c3nnn[n-]3)cs2)nn1-c1ccc(C)cc1 ZINC000826281373 729406925 /nfs/dbraw/zinc/40/69/25/729406925.db2.gz OQMDQCJOVVGRET-UHFFFAOYSA-N -1 3 351.439 3.343 20 0 FGADHM Cc1cc(NCc2cc(-c3nn[n-]n3)cs2)nn1-c1ccc(C)cc1 ZINC000826281373 729406927 /nfs/dbraw/zinc/40/69/27/729406927.db2.gz OQMDQCJOVVGRET-UHFFFAOYSA-N -1 3 351.439 3.343 20 0 FGADHM O=C(NCCCSc1cccc(Cl)c1-c1nnn[n-]1)C1CCCC1 ZINC000826437147 729407881 /nfs/dbraw/zinc/40/78/81/729407881.db2.gz YDBSQLSLUVSHFP-UHFFFAOYSA-N -1 3 365.890 3.309 20 0 FGADHM O=C(NCCCSc1cccc(Cl)c1-c1nn[n-]n1)C1CCCC1 ZINC000826437147 729407882 /nfs/dbraw/zinc/40/78/82/729407882.db2.gz YDBSQLSLUVSHFP-UHFFFAOYSA-N -1 3 365.890 3.309 20 0 FGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000828877580 729449169 /nfs/dbraw/zinc/44/91/69/729449169.db2.gz SBPHPUGQEBFKIE-CHWSQXEVSA-N -1 3 352.360 3.414 20 0 FGADHM Cc1cnc(Cl)c([N-]S(=O)(=O)c2ccc(NC(=O)C(C)C)cc2)c1 ZINC000829829013 729514747 /nfs/dbraw/zinc/51/47/47/729514747.db2.gz OYAMCCQLWGZJEA-UHFFFAOYSA-N -1 3 367.858 3.439 20 0 FGADHM CC(C)Oc1ccccc1C(F)(F)C(=O)[N-]CC(=O)c1cncs1 ZINC000832526023 729718986 /nfs/dbraw/zinc/71/89/86/729718986.db2.gz YBAYXFLXBKYAOZ-UHFFFAOYSA-N -1 3 354.378 3.021 20 0 FGADHM Cc1cccc(C(=O)Nc2cc3c(cc2Br)OCCO3)c1[O-] ZINC000834394827 729800068 /nfs/dbraw/zinc/80/00/68/729800068.db2.gz XKCZXCXFPGBZDN-UHFFFAOYSA-N -1 3 364.195 3.487 20 0 FGADHM CC(C)(CO)O[N-]C(=O)CCc1nc2cc(C(F)(F)F)ccc2s1 ZINC000836803736 729970581 /nfs/dbraw/zinc/97/05/81/729970581.db2.gz PENMMQBRPWYYMM-UHFFFAOYSA-N -1 3 362.373 3.066 20 0 FGADHM C[C@@]1(COC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])CC1(Cl)Cl ZINC000837425531 730028403 /nfs/dbraw/zinc/02/84/03/730028403.db2.gz RCBGTRFWBMEDHW-LRDDRELGSA-N -1 3 372.248 3.124 20 0 FGADHM Cc1nc(Cl)c(Cl)cc1C(=O)OCc1cc(=O)[n-]c(C2CC2)n1 ZINC000837732353 730058230 /nfs/dbraw/zinc/05/82/30/730058230.db2.gz LLMDJEKBOHNKQA-UHFFFAOYSA-N -1 3 354.193 3.427 20 0 FGADHM Cc1ccc(N2CC[C@@H](SCc3cc(=O)[n-]c(C4CC4)n3)C2=O)cc1 ZINC000842193980 730307236 /nfs/dbraw/zinc/30/72/36/730307236.db2.gz MJIJGWKYWRNBLN-MRXNPFEDSA-N -1 3 355.463 3.407 20 0 FGADHM CCOc1cc(-c2noc([C@H](C)NC3CC3)n2)cc(Br)c1[O-] ZINC000842568796 730514057 /nfs/dbraw/zinc/51/40/57/730514057.db2.gz AUEGUFDIDFDSQI-QMMMGPOBSA-N -1 3 368.231 3.416 20 0 FGADHM CC(=O)c1cccc(NC(=O)CCCCNC(=O)OC(C)(C)C)c1[O-] ZINC000843884743 730663198 /nfs/dbraw/zinc/66/31/98/730663198.db2.gz AOAYDEDFEIXEAM-UHFFFAOYSA-N -1 3 350.415 3.228 20 0 FGADHM CC(=O)c1cccc(NC(=O)[C@H](C)[C@@H](C)NC(=O)OC(C)(C)C)c1[O-] ZINC000843887828 730663428 /nfs/dbraw/zinc/66/34/28/730663428.db2.gz ANURHMSXMDGNKL-GHMZBOCLSA-N -1 3 350.415 3.083 20 0 FGADHM C[C@H](CSc1ccccc1)N(C)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000845127759 730811941 /nfs/dbraw/zinc/81/19/41/730811941.db2.gz PQVMETBOXULGQD-SNVBAGLBSA-N -1 3 373.404 3.146 20 0 FGADHM Cc1nn(C)c2ncc(CN(CC(=O)[O-])Cc3ccc(Cl)cc3)cc12 ZINC000846263687 730941723 /nfs/dbraw/zinc/94/17/23/730941723.db2.gz DOLXGGCVJRTSBG-UHFFFAOYSA-N -1 3 358.829 3.017 20 0 FGADHM O=C([O-])[C@@]12CN(Cc3ccc(Cl)cc3Br)C[C@H]1COCC2 ZINC000846283022 730943541 /nfs/dbraw/zinc/94/35/41/730943541.db2.gz UTOLHSCYSDNLJL-NHYWBVRUSA-N -1 3 374.662 3.026 20 0 FGADHM CC(C)(C)OC(=O)N1CCO[C@@H](CC(=O)Nc2c([O-])cccc2Cl)C1 ZINC000848139982 731134308 /nfs/dbraw/zinc/13/43/08/731134308.db2.gz IHTXOPRLAZSEFY-NSHDSACASA-N -1 3 370.833 3.010 20 0 FGADHM CC(C)[C@H](C)OC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000849691185 731272889 /nfs/dbraw/zinc/27/28/89/731272889.db2.gz BGRQLJKZXZMCGL-NSHDSACASA-N -1 3 354.403 3.156 20 0 FGADHM O=C([N-]C1(CF)CCOCC1)C(F)(F)c1ccc(Br)cc1 ZINC000854751845 731859706 /nfs/dbraw/zinc/85/97/06/731859706.db2.gz BTYOANQXYBHDRM-UHFFFAOYSA-N -1 3 366.177 3.176 20 0 FGADHM O=C([N-]OCC1CCC1)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000856346926 732014648 /nfs/dbraw/zinc/01/46/48/732014648.db2.gz VGAZLKYNENJDAX-KRWDZBQOSA-N -1 3 356.388 3.289 20 0 FGADHM C[C@@H](CCC(C)(C)C)C(=O)N1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC000856417213 732025348 /nfs/dbraw/zinc/02/53/48/732025348.db2.gz LKQOCYDUCVDOLQ-AGIUHOORSA-N -1 3 350.425 3.364 20 0 FGADHM O=c1cc(CSCCS(=O)(=O)C2CCCCC2)nc(C2CC2)[n-]1 ZINC000857247852 732115080 /nfs/dbraw/zinc/11/50/80/732115080.db2.gz GMBBHYXNODNBLA-UHFFFAOYSA-N -1 3 356.513 3.040 20 0 FGADHM O=S(=O)([N-]c1ccnc(F)c1F)c1ccc(OC2CCCC2)cc1 ZINC000857252044 732115622 /nfs/dbraw/zinc/11/56/22/732115622.db2.gz LOUCOZPAWMDCBQ-UHFFFAOYSA-N -1 3 354.378 3.482 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-][C@H](C)C[C@H](O)c2cccs2)c(F)c1F ZINC000859077125 732274998 /nfs/dbraw/zinc/27/49/98/732274998.db2.gz NILJAUVVKSQKHV-MNOVXSKESA-N -1 3 361.435 3.125 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)c1ccns1 ZINC000859401684 732323901 /nfs/dbraw/zinc/32/39/01/732323901.db2.gz WOZCJHODCNEBMQ-SSDOTTSWSA-N -1 3 354.350 3.341 20 0 FGADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)[C@H]3C[C@@]3(C)Br)c2)n1 ZINC000860568342 732534665 /nfs/dbraw/zinc/53/46/65/732534665.db2.gz HQXVWCFKNVCESE-MLGOLLRUSA-N -1 3 363.211 3.237 20 0 FGADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1cccc2c1OC(C)(C)CC2 ZINC000861559670 732699536 /nfs/dbraw/zinc/69/95/36/732699536.db2.gz UQYJOMDKVFHQAP-UHFFFAOYSA-N -1 3 350.415 3.185 20 0 FGADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1cccc2c1OC(C)(C)CC2 ZINC000861559670 732699542 /nfs/dbraw/zinc/69/95/42/732699542.db2.gz UQYJOMDKVFHQAP-UHFFFAOYSA-N -1 3 350.415 3.185 20 0 FGADHM CO[C@H](Cc1ccc(F)cc1)CS(=O)(=O)[N-]c1cnc(Cl)c(C)c1 ZINC000863405616 732959111 /nfs/dbraw/zinc/95/91/11/732959111.db2.gz AWCRMDOCDIXVDV-OAHLLOKOSA-N -1 3 372.849 3.182 20 0 FGADHM COC(=O)Nc1ccc(S(=O)(=O)[N-]C(C)(C)C(C)(F)F)cc1Cl ZINC000863445411 732964040 /nfs/dbraw/zinc/96/40/40/732964040.db2.gz ZNTCZZSHIHUYRN-UHFFFAOYSA-N -1 3 370.805 3.230 20 0 FGADHM COc1cnc(F)c([N-]S(=O)(=O)c2ccc(OC(C)C)c(C)c2)c1 ZINC000863449635 732964686 /nfs/dbraw/zinc/96/46/86/732964686.db2.gz RALNAJIYSVRJMQ-UHFFFAOYSA-N -1 3 354.403 3.126 20 0 FGADHM COC(=O)c1cnc(Cl)c([N-]S(=O)(=O)c2ccc(C(C)C)cc2)c1 ZINC000863449643 732964867 /nfs/dbraw/zinc/96/48/67/732964867.db2.gz RNIFYPIIRKDGOL-UHFFFAOYSA-N -1 3 368.842 3.446 20 0 FGADHM COc1ccc(C[C@@H](CNCc2c(F)cccc2F)C(=O)[O-])cc1F ZINC000864531573 733073896 /nfs/dbraw/zinc/07/38/96/733073896.db2.gz HEPQTFCGZOLAGF-LBPRGKRZSA-N -1 3 353.340 3.146 20 0 FGADHM Cc1ccccc1-n1ccnc1SCc1nc2c(c(=O)[n-]1)COCC2 ZINC000865348463 733183333 /nfs/dbraw/zinc/18/33/33/733183333.db2.gz RJYOJYLROVXOIZ-UHFFFAOYSA-N -1 3 354.435 3.041 20 0 FGADHM COC(C)(C)c1nsc(NCc2ccc([O-])c(Br)c2)n1 ZINC000865621049 733239183 /nfs/dbraw/zinc/23/91/83/733239183.db2.gz WCNKORWXKJUCFE-UHFFFAOYSA-N -1 3 358.261 3.500 20 0 FGADHM Cc1ccc(Cl)c2ccc(NCc3nc4c(c(=O)[n-]3)COCC4)nc12 ZINC000866290589 733333865 /nfs/dbraw/zinc/33/38/65/733333865.db2.gz ZYBWXTFZJSLHTG-UHFFFAOYSA-N -1 3 356.813 3.377 20 0 FGADHM CC[C@@H](NCc1nc2c(c(=O)[n-]1)COCC2)c1cc(Cl)ccc1OC ZINC000866627853 733376703 /nfs/dbraw/zinc/37/67/03/733376703.db2.gz GGHMEYNTJYWWGF-CQSZACIVSA-N -1 3 363.845 3.158 20 0 FGADHM CSc1ccc2c(c1)[C@@H](NCc1nc3c(c(=O)[n-]1)COCC3)CCC2 ZINC000866629020 733376834 /nfs/dbraw/zinc/37/68/34/733376834.db2.gz BNMDOJPIZBUFGB-INIZCTEOSA-N -1 3 357.479 3.144 20 0 FGADHM CCc1ccc(Br)c(-n2c([O-])c(CC(F)(F)F)[nH]c2=O)c1 ZINC000871640145 733955036 /nfs/dbraw/zinc/95/50/36/733955036.db2.gz ATTMETFASNTNGF-SECBINFHSA-N -1 3 365.149 3.389 20 0 FGADHM CCc1ccc(Br)c(-n2c([O-])c(CC(F)(F)F)[nH]c2=O)c1 ZINC000871640146 733955120 /nfs/dbraw/zinc/95/51/20/733955120.db2.gz ATTMETFASNTNGF-VIFPVBQESA-N -1 3 365.149 3.389 20 0 FGADHM C[C@H](CCNCc1cccc(F)c1I)CC(=O)[O-] ZINC000871877807 735559135 /nfs/dbraw/zinc/55/91/35/735559135.db2.gz VBIAPYAOPYZDER-SECBINFHSA-N -1 3 365.186 3.021 20 0 FGADHM O=C([O-])c1cccc(Br)c1CN1CC[C@@H]2CSC[C@@H]2C1 ZINC000872164238 735598388 /nfs/dbraw/zinc/59/83/88/735598388.db2.gz QBXYHNYRCFHWJJ-MNOVXSKESA-N -1 3 356.285 3.332 20 0 FGADHM CCOC1CC2(C[C@H]2[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000872652077 735657852 /nfs/dbraw/zinc/65/78/52/735657852.db2.gz IECNPYQHPSOKPT-IWXRYERYSA-N -1 3 350.267 3.229 20 0 FGADHM 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Cc1cc(=O)[n-]c(CNC(=O)[C@@H](C)Cc2ccc(C(F)(F)F)cc2)n1 ZINC000898262980 742765639 /nfs/dbraw/zinc/76/56/39/742765639.db2.gz PKMQOSMGYYXDLS-JTQLQIEISA-N -1 3 353.344 3.004 20 0 FGADHM Cc1cc(=O)[n-]c(CNC(=O)C[C@@H](C)c2cccc(C(F)(F)F)c2)n1 ZINC000898261650 742765645 /nfs/dbraw/zinc/76/56/45/742765645.db2.gz DSZCADJNYKBXTF-SNVBAGLBSA-N -1 3 353.344 3.319 20 0 FGADHM Cc1cc(=O)[n-]c(CNC(=O)[C@@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)n1 ZINC000898263108 742765772 /nfs/dbraw/zinc/76/57/72/742765772.db2.gz QYBNGCMSBQLVQP-CHWSQXEVSA-N -1 3 352.221 3.217 20 0 FGADHM CO[C@H](C)c1nsc([N-]C(=O)c2nn(C(C)C)cc2Br)n1 ZINC000898938769 742845317 /nfs/dbraw/zinc/84/53/17/742845317.db2.gz GAGKQUOUJIGIOJ-SSDOTTSWSA-N -1 3 374.264 3.038 20 0 FGADHM O=C(NCC[C@H]1CCC2(CCOCC2)CO1)c1cc([O-])ccc1Cl ZINC000899454382 742942001 /nfs/dbraw/zinc/94/20/01/742942001.db2.gz HUDYWMSLWAIQHT-CQSZACIVSA-N -1 3 353.846 3.141 20 0 FGADHM Cc1cc(Br)ccc1CN[C@H]1CCCn2nc(C(=O)[O-])cc21 ZINC000900070575 743057439 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COC[C@]1(C(=O)[O-])CCCN(Cc2cc(Br)c(C)s2)C1 ZINC000901863830 743661325 /nfs/dbraw/zinc/66/13/25/743661325.db2.gz DFQCIKLLKHTWMY-AWEZNQCLSA-N -1 3 362.289 3.132 20 0 FGADHM Cc1nc2ccc(CN3CCC(n4cc(C(=O)[O-])cn4)CC3)cc2s1 ZINC000901878691 743665385 /nfs/dbraw/zinc/66/53/85/743665385.db2.gz JUQFDDCAYDOECK-UHFFFAOYSA-N -1 3 356.451 3.337 20 0 FGADHM C[C@@](CC(=O)[O-])(NCc1cn(-c2ccc(Cl)cc2Cl)nn1)C1CC1 ZINC000901944467 743684013 /nfs/dbraw/zinc/68/40/13/743684013.db2.gz ABCWCLSLGSWGBJ-INIZCTEOSA-N -1 3 369.252 3.307 20 0 FGADHM CO[C@@H](CS(=O)(=O)[N-]c1c(F)ccc(Br)c1F)C(C)C ZINC000901961671 743686730 /nfs/dbraw/zinc/68/67/30/743686730.db2.gz GGVMRXITIDADBK-JTQLQIEISA-N -1 3 372.231 3.140 20 0 FGADHM O=C([O-])C(F)(F)[C@@H]1CC[C@@H](NCc2c(F)cccc2OC(F)F)C1 ZINC000902338987 743734087 /nfs/dbraw/zinc/73/40/87/743734087.db2.gz CEIQRHRBJSBQDX-RKDXNWHRSA-N -1 3 353.287 3.405 20 0 FGADHM O=C([O-])[C@@H]1[C@@H]2CCN(Cc3cc(Cl)ccc3OC[C@H]3CCCO3)C[C@@H]21 ZINC000902553490 743756972 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C[C@]12CSC[C@H]1CN(Cc1c(Br)cccc1C(=O)[O-])C2 ZINC000903961159 743905786 /nfs/dbraw/zinc/90/57/86/743905786.db2.gz NNCBVPKMMJZMKK-BMIGLBTASA-N -1 3 356.285 3.332 20 0 FGADHM O=C([O-])[C@@H](CSCCc1ccccc1)NCc1ccncc1Cl ZINC000904005990 743912414 /nfs/dbraw/zinc/91/24/14/743912414.db2.gz WFFNJXJNXMKSGB-MRXNPFEDSA-N -1 3 350.871 3.254 20 0 FGADHM Cc1c[nH]nc1CN[C@H](CSCc1cccc2ccccc21)C(=O)[O-] ZINC000904015257 743913616 /nfs/dbraw/zinc/91/36/16/743913616.db2.gz JTBCDQLAIMMYQU-GOSISDBHSA-N -1 3 355.463 3.348 20 0 FGADHM CCS(=O)(=O)c1ccc(CN[C@H](C(=O)[O-])c2ccc(C)c(C)c2)cc1 ZINC000905380914 744017048 /nfs/dbraw/zinc/01/70/48/744017048.db2.gz NDBDOKYGRJANHU-SFHVURJKSA-N -1 3 361.463 3.013 20 0 FGADHM Cc1nn(C(C)(C)C)c(C)c1CN1CC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC000905737929 744049870 /nfs/dbraw/zinc/04/98/70/744049870.db2.gz GHQOINLQYNAWOA-CYBMUJFWSA-N -1 3 362.499 3.399 20 0 FGADHM O=C([O-])c1cnc([C@@H]2CCN(Cc3cnc(-c4ccncc4)s3)C2)s1 ZINC000905753161 744052607 /nfs/dbraw/zinc/05/26/07/744052607.db2.gz YOIOUZXIGSORLT-GFCCVEGCSA-N -1 3 372.475 3.349 20 0 FGADHM CCCc1nnc([N-]C(=O)c2nn(C(C)C)cc2Br)s1 ZINC000906366523 744122123 /nfs/dbraw/zinc/12/21/23/744122123.db2.gz DCJHUJOOLXNKKI-UHFFFAOYSA-N -1 3 358.265 3.283 20 0 FGADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N[C@]2(C)CCO[C@@H]2C2CC2)s1 ZINC000907351526 744206075 /nfs/dbraw/zinc/20/60/75/744206075.db2.gz RUORIPVYLPASAZ-SJKOYZFVSA-N -1 3 367.471 3.178 20 0 FGADHM CC[C@]1(CO)CCCN(C(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)C1 ZINC000907542714 744219707 /nfs/dbraw/zinc/21/97/07/744219707.db2.gz BXIGVHKJVXFOCD-KRWDZBQOSA-N -1 3 369.487 3.115 20 0 FGADHM C[C@@H]1CCN(C(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)CCS1 ZINC000907735573 744232632 /nfs/dbraw/zinc/23/26/32/744232632.db2.gz YSEFBWNQZOSTNQ-SNVBAGLBSA-N -1 3 357.501 3.458 20 0 FGADHM O=c1[nH]cc(S(=O)(=O)[N-][C@H]2CCC[C@H](c3ccccc3)CC2)s1 ZINC000907772706 744236296 /nfs/dbraw/zinc/23/62/96/744236296.db2.gz JHKKSBBYBXNHMX-KBPBESRZSA-N -1 3 352.481 3.244 20 0 FGADHM CCn1ccnc1[C@@H](C)[N-]C(=O)C(F)(F)c1ncccc1Br ZINC000908668446 744306105 /nfs/dbraw/zinc/30/61/05/744306105.db2.gz FRPIUECAIGCHHS-SECBINFHSA-N -1 3 373.201 3.030 20 0 FGADHM COc1cc(C(=O)OC[C@H]2CCC[C@H](C(F)(F)F)O2)cc(OC)c1[O-] ZINC000909096842 744339617 /nfs/dbraw/zinc/33/96/17/744339617.db2.gz FULMFZSVPGQOEF-ZWNOBZJWSA-N -1 3 364.316 3.066 20 0 FGADHM O=C(Nc1cccc(Cc2nnn[n-]2)c1)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000910041083 744410239 /nfs/dbraw/zinc/41/02/39/744410239.db2.gz HOXOMMUULYVLBN-VXGBXAGGSA-N -1 3 353.348 3.098 20 0 FGADHM O=C(Nc1cccc(Cc2nn[n-]n2)c1)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000910041083 744410246 /nfs/dbraw/zinc/41/02/46/744410246.db2.gz HOXOMMUULYVLBN-VXGBXAGGSA-N -1 3 353.348 3.098 20 0 FGADHM CCN1CCC[C@@H]1CN(CCC(=O)[O-])C(=O)c1ccc(C(C)(C)C)s1 ZINC000911286634 757148917 /nfs/dbraw/zinc/14/89/17/757148917.db2.gz XUGDSQSCHBMWEI-CQSZACIVSA-N -1 3 366.527 3.447 20 0 FGADHM O=C(C=Cc1ccsc1C(F)(F)F)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000911850034 757221504 /nfs/dbraw/zinc/22/15/04/757221504.db2.gz YGKXDKMQJGWZDJ-JWXWKVPASA-N -1 3 357.357 3.225 20 0 FGADHM C[C@H](Cc1ccccn1)NC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000912057862 757258969 /nfs/dbraw/zinc/25/89/69/757258969.db2.gz GNTFNCATJBARNW-LLVKDONJSA-N -1 3 362.455 3.246 20 0 FGADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N2CCC(=O)C[C@@H]2C2CC2)s1 ZINC000912175917 757283051 /nfs/dbraw/zinc/28/30/51/757283051.db2.gz BVKXOONRQVYVHZ-GFCCVEGCSA-N -1 3 365.455 3.074 20 0 FGADHM C[C@H](NC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1)c1cscn1 ZINC000912391939 757319943 /nfs/dbraw/zinc/31/99/43/757319943.db2.gz VHRPQRJJODZOLF-QMMMGPOBSA-N -1 3 354.457 3.438 20 0 FGADHM Cc1ccc([C@@H](C)[N-]S(=O)(=O)c2occc2Br)s1 ZINC000913959224 757649317 /nfs/dbraw/zinc/64/93/17/757649317.db2.gz FDTDLRJSAALYID-MRVPVSSYSA-N -1 3 350.259 3.452 20 0 FGADHM COCC[C@@H]([N-]S(=O)(=O)c1cscc1C(F)F)c1ccco1 ZINC000914346844 757756870 /nfs/dbraw/zinc/75/68/70/757756870.db2.gz YDTCUTOLXLDURL-SNVBAGLBSA-N -1 3 351.396 3.335 20 0 FGADHM O=C(NC[C@H]1CCC2(CCOCC2)CO1)c1cc2sccc2c([O-])c1 ZINC000914387963 757768352 /nfs/dbraw/zinc/76/83/52/757768352.db2.gz JYUCICCZSCMVNF-CQSZACIVSA-N -1 3 361.463 3.313 20 0 FGADHM C[C@@H](N/C=C1/C(=O)[N-]C(=O)c2ccccc21)c1cccc(Br)c1 ZINC000914563670 757799308 /nfs/dbraw/zinc/79/93/08/757799308.db2.gz DVWCAOJSNWJKBL-HPUUJOOBSA-N -1 3 371.234 3.411 20 0 FGADHM O=C1[N-]C(=O)C(=CNc2ccc(F)cc2Br)c2ccccc21 ZINC000917604221 758248906 /nfs/dbraw/zinc/24/89/06/758248906.db2.gz KJKCWEZHPBUEFZ-XYOKQWHBSA-N -1 3 361.170 3.311 20 0 FGADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000917650127 758253115 /nfs/dbraw/zinc/25/31/15/758253115.db2.gz KOVVQTFLARZLPU-SFCYXTAJSA-N -1 3 371.934 3.265 20 0 FGADHM CCOC(=O)CCCCCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000917653910 758253453 /nfs/dbraw/zinc/25/34/53/758253453.db2.gz ZIHDMEFQPSJFEN-UHFFFAOYSA-N -1 3 365.854 3.271 20 0 FGADHM C[C@H](OC(=O)c1ccc([N-]S(C)(=O)=O)cc1)c1cc(F)ccc1F ZINC000918198796 758315873 /nfs/dbraw/zinc/31/58/73/758315873.db2.gz OWQUWQFLJOVHHE-JTQLQIEISA-N -1 3 355.362 3.254 20 0 FGADHM O=C(COC(=O)c1cc(Cl)c(Cl)[n-]1)N1CCC[C@H](C(F)(F)F)C1 ZINC000919047275 758393265 /nfs/dbraw/zinc/39/32/65/758393265.db2.gz UIQQPCDKUQVHQM-ZETCQYMHSA-N -1 3 373.158 3.279 20 0 FGADHM O=C([N-]Cc1nnc2n1CCCCC2)C(F)(F)c1cccc(Cl)c1 ZINC000921025037 758635057 /nfs/dbraw/zinc/63/50/57/758635057.db2.gz OZQKEZGNHSQXBE-UHFFFAOYSA-N -1 3 354.788 3.066 20 0 FGADHM O=S(=O)([N-][C@@H]1c2ccccc2OC[C@@H]1F)c1cscc1C(F)F ZINC000921318469 758686236 /nfs/dbraw/zinc/68/62/36/758686236.db2.gz XSWVNODPFIYTIY-GXFFZTMASA-N -1 3 363.382 3.436 20 0 FGADHM COC[C@]1(C(=O)[O-])CCN(Cc2nc3c(s2)C(C)(C)CC(C)(C)C3)C1 ZINC000923264820 759092880 /nfs/dbraw/zinc/09/28/80/759092880.db2.gz ZHXRPHNRXLXNJW-IBGZPJMESA-N -1 3 366.527 3.316 20 0 FGADHM CCO[C@@H]1[C@H](C)[C@H]1C(=O)O[C@@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000923444665 759119310 /nfs/dbraw/zinc/11/93/10/759119310.db2.gz UHZMFKSBGUYGFJ-INTNWOOBSA-N -1 3 350.440 3.289 20 0 FGADHM CC[C@]1(C(=O)[O-])CCCN([C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)C1 ZINC000923470069 759125605 /nfs/dbraw/zinc/12/56/05/759125605.db2.gz OBQKDEQHDWSCLY-YJBOKZPZSA-N -1 3 368.836 3.161 20 0 FGADHM Cn1ccc([C@H]2CCCN(C(=O)c3cc([O-])cc(C(F)(F)F)c3)C2)n1 ZINC000928197608 760112363 /nfs/dbraw/zinc/11/23/63/760112363.db2.gz BYBNAZXPFDEZIV-NSHDSACASA-N -1 3 353.344 3.164 20 0 FGADHM COCc1ccc([C@@H]2COCCN2C(=O)c2cc(SC)ccc2[O-])o1 ZINC000928514427 760203036 /nfs/dbraw/zinc/20/30/36/760203036.db2.gz XMMNDUPCQHFOHR-HNNXBMFYSA-N -1 3 363.435 3.067 20 0 FGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@@H]2C[C@@H]3C[C@@H]3C[C@H]2C)cc1OC ZINC000930304693 760574905 /nfs/dbraw/zinc/57/49/05/760574905.db2.gz IJGDTWSIDIUOAB-UKTARXLSSA-N -1 3 366.483 3.078 20 0 FGADHM [O-]c1ccccc1-c1nnc(CN2CCCSC[C@@H]2C(F)(F)F)o1 ZINC000934240434 761567610 /nfs/dbraw/zinc/56/76/10/761567610.db2.gz XDUBSMQVZRPWCX-GFCCVEGCSA-N -1 3 359.373 3.312 20 0 FGADHM O=C(NCc1ccc([O-])c(Br)c1)[C@@]12CCO[C@H]1CCCC2 ZINC000934945361 761755258 /nfs/dbraw/zinc/75/52/58/761755258.db2.gz MHGBSYFQVRRGCA-HOCLYGCPSA-N -1 3 354.244 3.120 20 0 FGADHM O=C(Nc1ccc(-c2n[nH]c(C3CC3)n2)cc1)c1c[n-]c2ccccc2c1=O ZINC000110262269 209321433 /nfs/dbraw/zinc/32/14/33/209321433.db2.gz AJCDMLJVRTXUAM-UHFFFAOYSA-N -1 3 371.400 3.443 20 0 FGADHM O=C(Nc1ccc(-c2n[nH]c(C3CC3)n2)cc1)c1cnc2ccccc2c1[O-] ZINC000110262269 209321437 /nfs/dbraw/zinc/32/14/37/209321437.db2.gz AJCDMLJVRTXUAM-UHFFFAOYSA-N -1 3 371.400 3.443 20 0 FGADHM CCc1ccc([O-])c(C(=O)NCc2cn3cc(Br)ccc3n2)c1 ZINC000109828049 209313927 /nfs/dbraw/zinc/31/39/27/209313927.db2.gz WAZDOHMMSLFJMP-UHFFFAOYSA-N -1 3 374.238 3.295 20 0 FGADHM O=S(=O)([N-]c1cc(Br)ccc1Cl)c1cncc(F)c1 ZINC000061693112 221134339 /nfs/dbraw/zinc/13/43/39/221134339.db2.gz NSOIUGPKXPNAIS-UHFFFAOYSA-N -1 3 365.611 3.437 20 0 FGADHM CCc1nc(C)c(C(=O)[N-]c2nnc(Cc3cccc(OC)c3)s2)o1 ZINC000293494682 257378701 /nfs/dbraw/zinc/37/87/01/257378701.db2.gz UGBHYFYZAWJDLZ-UHFFFAOYSA-N -1 3 358.423 3.249 20 0 FGADHM CC(C)(CO)[C@@H]([N-]S(=O)(=O)C[C@@H]1CCCC1(F)F)c1cccs1 ZINC000297113505 257381484 /nfs/dbraw/zinc/38/14/84/257381484.db2.gz PFWPQLMWGJCZKE-AAEUAGOBSA-N -1 3 367.483 3.163 20 0 FGADHM COc1ccc(C(=O)N2CCO[C@H](c3ccc(Cl)s3)C2)c([O-])c1 ZINC000367444970 257420654 /nfs/dbraw/zinc/42/06/54/257420654.db2.gz MQLVQLVQDWUJKW-ZDUSSCGKSA-N -1 3 353.827 3.329 20 0 FGADHM COCc1cccc(S(=O)(=O)[N-]C2(C(F)(F)F)CCCCC2)c1 ZINC000546879525 503914432 /nfs/dbraw/zinc/91/44/32/503914432.db2.gz FVDCNRNBSHZEEZ-UHFFFAOYSA-N -1 3 351.390 3.377 20 0 FGADHM COc1ccc2ncc(C(=O)[O-])c(N3CCC[C@H](c4ccnn4C)C3)c2c1 ZINC000573613897 505578560 /nfs/dbraw/zinc/57/85/60/505578560.db2.gz LFKWYEDWSQJYNM-ZDUSSCGKSA-N -1 3 366.421 3.059 20 0 FGADHM CCC(CC)N1C[C@@H](C(=O)Nc2ccc(Br)cc2[O-])CC1=O ZINC000591132324 507126905 /nfs/dbraw/zinc/12/69/05/507126905.db2.gz CFABRFASUFKZNV-JTQLQIEISA-N -1 3 369.259 3.130 20 0 FGADHM CN(C(=O)c1cc([O-])ccc1Cl)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000576746099 505583901 /nfs/dbraw/zinc/58/39/01/505583901.db2.gz DTMFECFTZHEIQD-QGZVFWFLSA-N -1 3 358.825 3.313 20 0 FGADHM CCC1(CNC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)CCOCC1 ZINC000579660847 505596165 /nfs/dbraw/zinc/59/61/65/505596165.db2.gz DNYRCRDVBBFSOV-UHFFFAOYSA-N -1 3 370.453 3.486 20 0 FGADHM CN(C(=O)c1cc([O-])ccc1Cl)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000570862119 505597868 /nfs/dbraw/zinc/59/78/68/505597868.db2.gz MGCUJKALCNMMQI-MRXNPFEDSA-N -1 3 362.788 3.062 20 0 FGADHM COC1(C[N-]S(=O)(=O)c2ccc(-c3csc(C)n3)s2)CCCC1 ZINC000579675292 505599644 /nfs/dbraw/zinc/59/96/44/505599644.db2.gz QIWDSJNGTSCZLY-UHFFFAOYSA-N -1 3 372.537 3.418 20 0 FGADHM O=C([O-])[C@@H](c1cccc(Br)c1)N1CCC2(C1)CCOCC2 ZINC000576829786 505604605 /nfs/dbraw/zinc/60/46/05/505604605.db2.gz HDRIAXZVRYIVNV-CQSZACIVSA-N -1 3 354.244 3.077 20 0 FGADHM O=C([N-]c1nnc(C2CC2)s1)c1cnn2c1nccc2-c1ccccc1 ZINC000576838084 505606595 /nfs/dbraw/zinc/60/65/95/505606595.db2.gz GZFJTGTZGHUYBT-UHFFFAOYSA-N -1 3 362.418 3.378 20 0 FGADHM C[C@H](CNC(=O)c1c[n-]nc1-c1ccccn1)Oc1cccc(Cl)c1 ZINC000568070807 505608804 /nfs/dbraw/zinc/60/88/04/505608804.db2.gz XORJVIMIIAYOFA-GFCCVEGCSA-N -1 3 356.813 3.322 20 0 FGADHM O=C(Nc1ccc(OC(F)(F)F)cc1[O-])c1cnc(OCC2CC2)cn1 ZINC000573824737 505629703 /nfs/dbraw/zinc/62/97/03/505629703.db2.gz QKZRDGVPGIFCCQ-UHFFFAOYSA-N -1 3 369.299 3.122 20 0 FGADHM CCc1cccc(NC(=O)c2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)c1CC ZINC000568156980 505630569 /nfs/dbraw/zinc/63/05/69/505630569.db2.gz LNTMICBWLKEBIR-NRFANRHFSA-N -1 3 365.433 3.118 20 0 FGADHM CCOC(=O)c1[n-]c(C)nc1NC(=O)[C@@H](C)Oc1cccc2ccccc21 ZINC000571007822 505631542 /nfs/dbraw/zinc/63/15/42/505631542.db2.gz IOLONBWCCVEJES-GFCCVEGCSA-N -1 3 367.405 3.454 20 0 FGADHM CCOC(=O)c1nc(C)[n-]c1NC(=O)[C@@H](C)Oc1cccc2ccccc21 ZINC000571007822 505631543 /nfs/dbraw/zinc/63/15/43/505631543.db2.gz IOLONBWCCVEJES-GFCCVEGCSA-N -1 3 367.405 3.454 20 0 FGADHM O=S(=O)([N-]C[C@@H]1Cc2ccccc21)c1ccc(F)cc1Br ZINC000037575876 494108092 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ZINC000089479166 494316456 /nfs/dbraw/zinc/31/64/56/494316456.db2.gz QIPIAQDOEWOZBM-LBPRGKRZSA-N -1 3 352.312 3.100 20 0 FGADHM C[C@@H](C(=O)N1CCCCCC1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000078657872 494338848 /nfs/dbraw/zinc/33/88/48/494338848.db2.gz MXVCEZNCDVUKKI-INIZCTEOSA-N -1 3 358.482 3.078 20 0 FGADHM Cc1ccc(OC[C@@H](O)CN2CCC(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000078657976 494339260 /nfs/dbraw/zinc/33/92/60/494339260.db2.gz CVGZQJCITJFGHT-FQEVSTJZSA-N -1 3 369.461 3.035 20 0 FGADHM COCCOc1ccc(S(=O)(=O)[N-]c2ccc3[nH]ccc3c2)cc1C ZINC000078677303 494342348 /nfs/dbraw/zinc/34/23/48/494342348.db2.gz LGEVSIKGJKEMKA-UHFFFAOYSA-N -1 3 360.435 3.302 20 0 FGADHM Cc1nc(C)c(CCC(=O)N(Cc2ccc([C@@H]3C[C@H]3C)o2)C2CC2)c(=O)[n-]1 ZINC000078794655 494361892 /nfs/dbraw/zinc/36/18/92/494361892.db2.gz GBUAODFZEARNME-KZULUSFZSA-N -1 3 369.465 3.227 20 0 FGADHM Cc1nc(C)c(CCC(=O)N(Cc2ccc([C@H]3C[C@@H]3C)o2)C2CC2)c(=O)[n-]1 ZINC000078794649 494362301 /nfs/dbraw/zinc/36/23/01/494362301.db2.gz 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ZINC000016112155 494377933 /nfs/dbraw/zinc/37/79/33/494377933.db2.gz DYXDRPUKMBFRTN-UHFFFAOYSA-N -1 3 368.433 3.030 20 0 FGADHM COc1cc(C)c(S(=O)(=O)[N-]c2cc(F)c(OC)c(F)c2)c(C)c1 ZINC000055682152 494388634 /nfs/dbraw/zinc/38/86/34/494388634.db2.gz QQUUTDQVZSJJOJ-UHFFFAOYSA-N -1 3 357.378 3.400 20 0 FGADHM COc1ccc(OC)c(CCCNC(=O)Cc2ccc([O-])cc2Cl)c1 ZINC000089885797 494392164 /nfs/dbraw/zinc/39/21/64/494392164.db2.gz SPDPWTSGNHCXDB-UHFFFAOYSA-N -1 3 363.841 3.354 20 0 FGADHM CC(C)c1csc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])n1 ZINC000045034710 494393203 /nfs/dbraw/zinc/39/32/03/494393203.db2.gz YNTYKCYVRPKFLA-CQSZACIVSA-N -1 3 359.451 3.215 20 0 FGADHM Cc1nc(C)c(CC(=O)NCC2(c3ccc(Cl)cc3)CCCC2)c(=O)[n-]1 ZINC000055761687 494403502 /nfs/dbraw/zinc/40/35/02/494403502.db2.gz KKQGABJLUXYLIZ-UHFFFAOYSA-N -1 3 373.884 3.211 20 0 FGADHM COc1ccc([O-])c(C(=O)N2CCN(C(=O)CCC3CCCCC3)CC2)c1 ZINC000079193799 494416784 /nfs/dbraw/zinc/41/67/84/494416784.db2.gz AQHGAQPMIBRDEE-UHFFFAOYSA-N -1 3 374.481 3.046 20 0 FGADHM CC(C)(C)c1ccccc1NC(=O)CCn1[n-]c(=O)c2ccccc2c1=O ZINC000018115371 494424887 /nfs/dbraw/zinc/42/48/87/494424887.db2.gz MTLUPYROZYMGAQ-UHFFFAOYSA-N -1 3 365.433 3.016 20 0 FGADHM CC[C@H](C)n1ncc(C(=O)Nc2cccc(-c3nnn[n-]3)c2)c1C1CC1 ZINC000090020331 494430407 /nfs/dbraw/zinc/43/04/07/494430407.db2.gz AODDEQIJTCHORG-NSHDSACASA-N -1 3 351.414 3.164 20 0 FGADHM CC[C@H](C)n1ncc(C(=O)Nc2cccc(-c3nn[n-]n3)c2)c1C1CC1 ZINC000090020331 494430409 /nfs/dbraw/zinc/43/04/09/494430409.db2.gz AODDEQIJTCHORG-NSHDSACASA-N -1 3 351.414 3.164 20 0 FGADHM Cc1nc(C2([N-]S(=O)(=O)/C=C/c3ccccc3Cl)CCCC2)no1 ZINC000066910600 494437012 /nfs/dbraw/zinc/43/70/12/494437012.db2.gz IYGWSXNJMGUHSF-DHZHZOJOSA-N -1 3 367.858 3.391 20 0 FGADHM O=C1CCCN1c1cccc(-c2noc(-c3n[n-]nc3-c3ccccc3)n2)c1 ZINC000568561030 505722675 /nfs/dbraw/zinc/72/26/75/505722675.db2.gz ASPWVMMHWQHXGW-UHFFFAOYSA-N -1 3 372.388 3.316 20 0 FGADHM O=S(=O)([N-]Cc1ccsc1)c1ccc(F)cc1Br ZINC000056058046 494447473 /nfs/dbraw/zinc/44/74/73/494447473.db2.gz PQRIJJAFVRTRGZ-UHFFFAOYSA-N -1 3 350.234 3.128 20 0 FGADHM Cc1nc(C)c(CCC(=O)N2CCC[C@@H]2c2cccc(Cl)c2)c(=O)[n-]1 ZINC000079417058 494451061 /nfs/dbraw/zinc/45/10/61/494451061.db2.gz CZXPJRGLEOIUSE-QGZVFWFLSA-N -1 3 359.857 3.336 20 0 FGADHM CC[C@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)c1ccc2c(c1)OCCO2 ZINC000056131933 494459005 /nfs/dbraw/zinc/45/90/05/494459005.db2.gz LIRXDWNXSAVRGN-HNNXBMFYSA-N -1 3 364.401 3.180 20 0 FGADHM Cc1oc2nc[nH]c(=O)c2c1C(=O)[N-]c1cc(C(F)(F)F)ccc1F ZINC000067046191 494462314 /nfs/dbraw/zinc/46/23/14/494462314.db2.gz PVQXREOMXCVFCO-UHFFFAOYSA-N -1 3 355.247 3.235 20 0 FGADHM CCOc1ccc2cc(C(=O)Nc3ccccc3[N-]S(C)(=O)=O)[nH]c2c1 ZINC000056409765 494501525 /nfs/dbraw/zinc/50/15/25/494501525.db2.gz RDSAFGGFCNBEMD-UHFFFAOYSA-N -1 3 373.434 3.190 20 0 FGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1[nH]c2ccccc2c1Cl ZINC000056409619 494501606 /nfs/dbraw/zinc/50/16/06/494501606.db2.gz QIPDXBMQOLIBBO-UHFFFAOYSA-N -1 3 363.826 3.445 20 0 FGADHM COC[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1C)c1ccc(F)c(F)c1 ZINC000091056400 494520395 /nfs/dbraw/zinc/52/03/95/494520395.db2.gz IDUUUWSGVATKAT-OAHLLOKOSA-N -1 3 359.369 3.078 20 0 FGADHM COc1ccc([O-])c(C(=O)N[C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000091154390 494541432 /nfs/dbraw/zinc/54/14/32/494541432.db2.gz ZIEPRWQJDKQRJW-RDJZCZTQSA-N -1 3 365.788 3.453 20 0 FGADHM CCOc1ccc([C@H](C)NC(=O)c2ccc3n[n-]nc3c2)cc1OCC ZINC000046624440 494543589 /nfs/dbraw/zinc/54/35/89/494543589.db2.gz YVLAWFAGTNNDKR-LBPRGKRZSA-N -1 3 354.410 3.246 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C[C@@H](O)c3ccccc3)c2)n1 ZINC000091167803 494547778 /nfs/dbraw/zinc/54/77/78/494547778.db2.gz BJVFZQXCYAUAOC-GOSISDBHSA-N -1 3 363.417 3.062 20 0 FGADHM Cc1ccc(CCCC(=O)NCCCNC(=O)c2cccc([O-])c2)s1 ZINC000080022809 494572159 /nfs/dbraw/zinc/57/21/59/494572159.db2.gz SYBXLTLIOLAHRL-UHFFFAOYSA-N -1 3 360.479 3.021 20 0 FGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1cccn1Cc1cccs1 ZINC000080052104 494577368 /nfs/dbraw/zinc/57/73/68/494577368.db2.gz HMGZHRPEADCBSJ-UHFFFAOYSA-N -1 3 350.407 3.030 20 0 FGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1cccn1Cc1cccs1 ZINC000080052104 494577371 /nfs/dbraw/zinc/57/73/71/494577371.db2.gz HMGZHRPEADCBSJ-UHFFFAOYSA-N -1 3 350.407 3.030 20 0 FGADHM CC(C)(C)c1ccc(OCC(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000121072548 494581402 /nfs/dbraw/zinc/58/14/02/494581402.db2.gz OJHQZLFIFIVESU-UHFFFAOYSA-N -1 3 351.410 3.182 20 0 FGADHM CC(C)(C)c1ccc(OCC(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000121072548 494581407 /nfs/dbraw/zinc/58/14/07/494581407.db2.gz OJHQZLFIFIVESU-UHFFFAOYSA-N -1 3 351.410 3.182 20 0 FGADHM CCCC(C)(C)[N-]S(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1 ZINC000092301888 494590469 /nfs/dbraw/zinc/59/04/69/494590469.db2.gz IPXOFYSTOLAXDY-UHFFFAOYSA-N -1 3 374.572 3.310 20 0 FGADHM Cc1cc(C)c2c(=O)[n-]c(SCc3ncn(-c4ccccc4)n3)nc2n1 ZINC000092310199 494591569 /nfs/dbraw/zinc/59/15/69/494591569.db2.gz RMRLBDZJIYYIRR-UHFFFAOYSA-N -1 3 364.434 3.220 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H]3CCCC[C@H]3n3cccn3)nc2)n1 ZINC000074775965 494598288 /nfs/dbraw/zinc/59/82/88/494598288.db2.gz UIZPFVYXPXWESP-DLBZAZTESA-N -1 3 364.453 3.187 20 0 FGADHM CCC[C@@H](C)CS(=O)(=O)[N-][C@H](c1noc(C)n1)c1ccc(Cl)cc1 ZINC000092335811 494598848 /nfs/dbraw/zinc/59/88/48/494598848.db2.gz IGLXXVDYEBULSM-ABAIWWIYSA-N -1 3 371.890 3.476 20 0 FGADHM Cc1ccc([O-])c(CN2CCCN(C(=O)c3cccc(Cl)c3)CC2)n1 ZINC000092453462 494630213 /nfs/dbraw/zinc/63/02/13/494630213.db2.gz DLHJWLBJNQKFJE-UHFFFAOYSA-N -1 3 359.857 3.097 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCc4cc(F)ccc4C3)nc2)n1 ZINC000091673590 494641395 /nfs/dbraw/zinc/64/13/95/494641395.db2.gz YEEFADJPKWWECQ-UHFFFAOYSA-N -1 3 350.397 3.096 20 0 FGADHM C[C@H](C(=O)Nc1cccc(Br)c1)[S@@](=O)c1ccc([O-])cc1 ZINC000108083641 494643777 /nfs/dbraw/zinc/64/37/77/494643777.db2.gz GIZXFWBPAXEEBA-UZJPJQLHSA-N -1 3 368.252 3.290 20 0 FGADHM O=S(=O)([N-][C@H]1CCC[C@@H](F)C1)c1ccc(F)cc1Br ZINC000574273930 505735689 /nfs/dbraw/zinc/73/56/89/505735689.db2.gz ZWSGWAOEQNIPGK-SCZZXKLOSA-N -1 3 354.216 3.147 20 0 FGADHM CN(C)CCN(Cc1ccc(F)cc1F)C(=O)c1c([O-])cccc1F ZINC000121216354 494651654 /nfs/dbraw/zinc/65/16/54/494651654.db2.gz BHLKLOXUWBZNGB-UHFFFAOYSA-N -1 3 352.356 3.014 20 0 FGADHM Cc1ccc([O-])c(C(=O)Nc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)c1 ZINC000126189659 494666373 /nfs/dbraw/zinc/66/63/73/494666373.db2.gz QLEQVKUKSKLDIG-HUUCEWRRSA-N -1 3 368.433 3.202 20 0 FGADHM CCc1ccc([O-])c(C(=O)N2CCOC[C@@H]2CC(=O)c2ccccc2)c1 ZINC000092599888 494682642 /nfs/dbraw/zinc/68/26/42/494682642.db2.gz OCTOAJYIRAPIOD-KRWDZBQOSA-N -1 3 353.418 3.069 20 0 FGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]C[C@H]3CCCC[C@@H]3O)s2)cs1 ZINC000121284964 494682876 /nfs/dbraw/zinc/68/28/76/494682876.db2.gz PYAJSVVVNDQDIB-YPMHNXCESA-N -1 3 372.537 3.009 20 0 FGADHM CCCc1ccccc1NC(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000121291653 494686864 /nfs/dbraw/zinc/68/68/64/494686864.db2.gz CNEBPIWVOJTZDB-GFCCVEGCSA-N -1 3 352.481 3.006 20 0 FGADHM Cc1cc([N-]C(=O)[C@H](C)N2CCC(OCc3ccccc3F)CC2)on1 ZINC000091866192 494709027 /nfs/dbraw/zinc/70/90/27/494709027.db2.gz ODCMPRCFRNLBGT-AWEZNQCLSA-N -1 3 361.417 3.130 20 0 FGADHM COc1cc(NC2CCN(C(=O)c3ccccc3[O-])CC2)cc(OC)c1 ZINC000080597419 494740459 /nfs/dbraw/zinc/74/04/59/494740459.db2.gz FPEOPXIJTSLTDI-UHFFFAOYSA-N -1 3 356.422 3.126 20 0 FGADHM Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)CNC(=O)c2ccc([O-])cc2)o1 ZINC000075492882 494775321 /nfs/dbraw/zinc/77/53/21/494775321.db2.gz JAAVMTYSHPXQLB-GUYCJALGSA-N -1 3 356.422 3.023 20 0 FGADHM O=S(=O)([N-]C[C@@H]1CCOc2ccccc21)c1ccc(F)cc1Cl ZINC000108874978 494797856 /nfs/dbraw/zinc/79/78/56/494797856.db2.gz CUCSIJUKVBCWTO-NSHDSACASA-N -1 3 355.818 3.324 20 0 FGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccc(C)cc2OC)c1 ZINC000126708636 494824111 /nfs/dbraw/zinc/82/41/11/494824111.db2.gz OIHHJFLOZNRIFB-UHFFFAOYSA-N -1 3 355.843 3.144 20 0 FGADHM Cc1ccc([C@H](C)CNC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])cc1 ZINC000132179216 494834713 /nfs/dbraw/zinc/83/47/13/494834713.db2.gz YVYIHQUXXRQLTQ-VQIMIIECSA-N -1 3 366.461 3.225 20 0 FGADHM O=C([N-]c1nc(C(F)(F)F)cs1)c1cnc(-c2ncccn2)s1 ZINC000121702821 494842398 /nfs/dbraw/zinc/84/23/98/494842398.db2.gz JZNMVGIPJQEJOM-UHFFFAOYSA-N -1 3 357.342 3.328 20 0 FGADHM CCc1ccc([O-])c(C(=O)N2CCC(C(=O)NCc3ccccc3)CC2)c1 ZINC000132319000 494856002 /nfs/dbraw/zinc/85/60/02/494856002.db2.gz IPGJIMBESOXROA-UHFFFAOYSA-N -1 3 366.461 3.123 20 0 FGADHM C[C@@H](CNC(=O)c1cc(Br)ccc1[O-])N1CCC(C)CC1 ZINC000109310461 494858850 /nfs/dbraw/zinc/85/88/50/494858850.db2.gz DFFVIWPXKCJWGO-LBPRGKRZSA-N -1 3 355.276 3.005 20 0 FGADHM O=S(=O)([N-]C1CC1)c1cc(-c2nc(-c3cccs3)no2)ccc1F ZINC000109462095 494878205 /nfs/dbraw/zinc/87/82/05/494878205.db2.gz CPPQRWYYNZSHPX-UHFFFAOYSA-N -1 3 365.411 3.045 20 0 FGADHM Cc1ccc(NC(=O)[C@H](C)Sc2n[n-]c(-c3ccccn3)n2)cc1F ZINC000117114172 494891639 /nfs/dbraw/zinc/89/16/39/494891639.db2.gz TVIYPJXHQAJNQV-NSHDSACASA-N -1 3 357.414 3.434 20 0 FGADHM COc1ccc(Cc2noc(-c3cc(-c4ccco4)[n-]n3)n2)cc1OC ZINC000109579033 494892973 /nfs/dbraw/zinc/89/29/73/494892973.db2.gz SRLSJLXDKBOGKS-UHFFFAOYSA-N -1 3 352.350 3.328 20 0 FGADHM COc1ccc(Cc2noc(-c3cc(-c4ccco4)n[n-]3)n2)cc1OC ZINC000109579033 494892978 /nfs/dbraw/zinc/89/29/78/494892978.db2.gz SRLSJLXDKBOGKS-UHFFFAOYSA-N -1 3 352.350 3.328 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2cc(NC(C)=O)ccc2C)c(C)c1C ZINC000117228273 494901762 /nfs/dbraw/zinc/90/17/62/494901762.db2.gz AZWJKYRFHCNLSN-UHFFFAOYSA-N -1 3 362.451 3.380 20 0 FGADHM CN(Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)CC1=CCCOC1 ZINC000127187142 494906219 /nfs/dbraw/zinc/90/62/19/494906219.db2.gz SZECDFHBTBTJPA-UHFFFAOYSA-N -1 3 372.490 3.266 20 0 FGADHM CC(C)Sc1ccc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000109875731 494928741 /nfs/dbraw/zinc/92/87/41/494928741.db2.gz GAZXZKBWBBJLJQ-UHFFFAOYSA-N -1 3 353.451 3.297 20 0 FGADHM CC(C)Sc1ccc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000109875731 494928744 /nfs/dbraw/zinc/92/87/44/494928744.db2.gz 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494952526 /nfs/dbraw/zinc/95/25/26/494952526.db2.gz RALQUGKFJJXLQG-UHFFFAOYSA-N -1 3 354.450 3.139 20 0 FGADHM Cc1cc(CSc2ncccc2C(=O)NCc2ccc([O-])c(F)c2)no1 ZINC000133055779 494961976 /nfs/dbraw/zinc/96/19/76/494961976.db2.gz BAUBCERZCACNNH-UHFFFAOYSA-N -1 3 373.409 3.445 20 0 FGADHM O=C(Nc1cc(Br)ccc1[O-])c1cnc(C(F)(F)F)nc1 ZINC000133126314 494973553 /nfs/dbraw/zinc/97/35/53/494973553.db2.gz WFCUZWHCHBYJEI-UHFFFAOYSA-N -1 3 362.105 3.216 20 0 FGADHM O=C(Nc1cc(C(F)(F)F)ccc1[O-])c1cnc(C(F)(F)F)nc1 ZINC000133130603 494974619 /nfs/dbraw/zinc/97/46/19/494974619.db2.gz XQNXIMSGKOWWQH-UHFFFAOYSA-N -1 3 351.206 3.472 20 0 FGADHM O=C([N-]c1nnc(-c2cccc(Br)c2)s1)c1cnccn1 ZINC000110415477 494977889 /nfs/dbraw/zinc/97/78/89/494977889.db2.gz SOYMDXPYHYRKMF-UHFFFAOYSA-N -1 3 362.212 3.010 20 0 FGADHM C[C@H](CN1CCC[C@@H](C)C1)NC(=O)c1ccc(Br)c([O-])c1 ZINC000133251557 494990419 /nfs/dbraw/zinc/99/04/19/494990419.db2.gz NUBPXZYJVHEVRX-VXGBXAGGSA-N -1 3 355.276 3.005 20 0 FGADHM Cc1cc2c[nH]nc2cc1[N-]S(=O)(=O)C[C@]12CC[C@H](CC1=O)C2(C)C ZINC000133281788 494994609 /nfs/dbraw/zinc/99/46/09/494994609.db2.gz JQRCLNGLJSGWCH-FZKQIMNGSA-N -1 3 361.467 3.008 20 0 FGADHM CCCn1c(=O)[n-]nc1SCCCCCn1nnc(-c2ccccc2)n1 ZINC000110656792 494998309 /nfs/dbraw/zinc/99/83/09/494998309.db2.gz AQYWKODLFVSFLE-UHFFFAOYSA-N -1 3 373.486 3.010 20 0 FGADHM CC(C)(C)C(=O)C[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000133435637 495013461 /nfs/dbraw/zinc/01/34/61/495013461.db2.gz RWZIQBMVFXOMCX-UHFFFAOYSA-N -1 3 357.781 3.252 20 0 FGADHM Cc1nc2ccccc2n1Cc1cc(NC(=O)c2cnn[n-]2)ccc1Cl ZINC000111001933 495030060 /nfs/dbraw/zinc/03/00/60/495030060.db2.gz KNQVAUJJVOOINP-UHFFFAOYSA-N -1 3 366.812 3.417 20 0 FGADHM Cc1nc2ccccc2n1Cc1cc(NC(=O)c2c[n-]nn2)ccc1Cl ZINC000111001933 495030065 /nfs/dbraw/zinc/03/00/65/495030065.db2.gz KNQVAUJJVOOINP-UHFFFAOYSA-N -1 3 366.812 3.417 20 0 FGADHM Cc1nc2ccccc2n1Cc1cc(NC(=O)c2cn[n-]n2)ccc1Cl ZINC000111001933 495030068 /nfs/dbraw/zinc/03/00/68/495030068.db2.gz 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Cc1cccc(C(=O)N(C)[C@H]2CCN(c3ccccc3Cl)C2=O)c1[O-] ZINC000111636049 495091232 /nfs/dbraw/zinc/09/12/32/495091232.db2.gz JBDIMTDUEVGYQY-INIZCTEOSA-N -1 3 358.825 3.232 20 0 FGADHM CN1C(=O)C[C@@H](C(=O)Nc2cccc([O-])c2F)[C@H]1c1cccc(Cl)c1 ZINC000128420497 495093809 /nfs/dbraw/zinc/09/38/09/495093809.db2.gz KXUZDBMWKVZEGC-SJKOYZFVSA-N -1 3 362.788 3.343 20 0 FGADHM COc1ccc(C(=O)N2CC3(CCOCC3)[C@H]2c2ccccc2)c([O-])c1 ZINC000574381470 505760672 /nfs/dbraw/zinc/76/06/72/505760672.db2.gz WDWDYBGMGMYACO-LJQANCHMSA-N -1 3 353.418 3.395 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-]CCc1c(C)[nH]c2ccccc21 ZINC000119181787 495111715 /nfs/dbraw/zinc/11/17/15/495111715.db2.gz VAYQBDPVEFZRCN-UHFFFAOYSA-N -1 3 350.465 3.067 20 0 FGADHM Cc1ccc(C(=O)NCC(=O)Nc2ccc([O-])c(C(F)(F)F)c2)cc1C ZINC000134210497 495122411 /nfs/dbraw/zinc/12/24/11/495122411.db2.gz MJWUCMZZJQRZID-UHFFFAOYSA-N -1 3 366.339 3.396 20 0 FGADHM O=C(N[C@@H](c1cccc(F)c1F)C(F)(F)F)c1cccc2nn[n-]c21 ZINC000119240763 495125315 /nfs/dbraw/zinc/12/53/15/495125315.db2.gz GPLSTHSKPFLJKH-ZDUSSCGKSA-N -1 3 356.254 3.270 20 0 FGADHM O=C(N[C@@H](c1cccc(F)c1F)C(F)(F)F)c1cccc2[n-]nnc21 ZINC000119240763 495125316 /nfs/dbraw/zinc/12/53/16/495125316.db2.gz GPLSTHSKPFLJKH-ZDUSSCGKSA-N -1 3 356.254 3.270 20 0 FGADHM O=C(N[C@@H](c1cccc(F)c1F)C(F)(F)F)c1cccc2n[n-]nc21 ZINC000119240763 495125320 /nfs/dbraw/zinc/12/53/20/495125320.db2.gz GPLSTHSKPFLJKH-ZDUSSCGKSA-N -1 3 356.254 3.270 20 0 FGADHM CCOC(=O)c1c(C2CC2)csc1[N-]C(=O)C(=O)N1[C@@H](C)CC[C@@H]1C ZINC000134305563 495132965 /nfs/dbraw/zinc/13/29/65/495132965.db2.gz QDKSPGNOAPWACZ-QWRGUYRKSA-N -1 3 364.467 3.140 20 0 FGADHM O=S(=O)([N-][C@@H](c1ccccc1)c1ccncc1)c1ccc(F)cc1F ZINC000128704293 495138476 /nfs/dbraw/zinc/13/84/76/495138476.db2.gz OTXRCNKCXHKUQJ-SFHVURJKSA-N -1 3 360.385 3.428 20 0 FGADHM CC(=O)N1CCCc2ccc(S(=O)(=O)[N-]c3ccccc3Cl)cc21 ZINC000134441673 495149907 /nfs/dbraw/zinc/14/99/07/495149907.db2.gz GDRGTBCPPJDKTI-UHFFFAOYSA-N -1 3 364.854 3.440 20 0 FGADHM CC(=O)N1CCCc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3F)cc21 ZINC000134445192 495150615 /nfs/dbraw/zinc/15/06/15/495150615.db2.gz GAIUONOIGVNGON-UHFFFAOYSA-N -1 3 362.426 3.234 20 0 FGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)c2cc(C)c(F)c(C)c2)c1 ZINC000119410949 495161651 /nfs/dbraw/zinc/16/16/51/495161651.db2.gz YZQCZYRJOVXVHI-UHFFFAOYSA-N -1 3 350.415 3.375 20 0 FGADHM CC1=NN(c2ccc(C(=O)Nc3n[n-]c(-c4ccccc4F)n3)cc2)CC1 ZINC000102823873 495164704 /nfs/dbraw/zinc/16/47/04/495164704.db2.gz ZQYOTVYYWOQRFK-UHFFFAOYSA-N -1 3 364.384 3.449 20 0 FGADHM CCOc1ccccc1OCCCC(=O)Nc1cc(-c2nccn2C)[n-]n1 ZINC000119426513 495165391 /nfs/dbraw/zinc/16/53/91/495165391.db2.gz JVQWZBJFDCZBPX-UHFFFAOYSA-N -1 3 369.425 3.007 20 0 FGADHM CCOc1ccccc1OCCCC(=O)Nc1cc(-c2nccn2C)n[n-]1 ZINC000119426513 495165396 /nfs/dbraw/zinc/16/53/96/495165396.db2.gz JVQWZBJFDCZBPX-UHFFFAOYSA-N -1 3 369.425 3.007 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)Nc2nccc3sccc32)c([O-])c1 ZINC000128927405 495170298 /nfs/dbraw/zinc/17/02/98/495170298.db2.gz 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495231430 /nfs/dbraw/zinc/23/14/30/495231430.db2.gz ONSCPWMPLGZETF-UHFFFAOYSA-N -1 3 359.817 3.261 20 0 FGADHM C[C@@]1(c2cccc(NC(=O)C[C@H]3CCCC(C)(C)C3)c2)NC(=O)[N-]C1=O ZINC000119764216 495235961 /nfs/dbraw/zinc/23/59/61/495235961.db2.gz ZPJZTDZMGKGEBU-XCLFUZPHSA-N -1 3 357.454 3.286 20 0 FGADHM CCN(CCC(=O)OC)Cc1nc(=O)c2cc(-c3ccccc3)sc2[n-]1 ZINC000103471611 495237689 /nfs/dbraw/zinc/23/76/89/495237689.db2.gz XGFZGKKJTQTQKO-UHFFFAOYSA-N -1 3 371.462 3.037 20 0 FGADHM CSc1ccc([N-]S(=O)(=O)CCOCC(F)(F)F)cc1Cl ZINC000571608506 505771066 /nfs/dbraw/zinc/77/10/66/505771066.db2.gz LPZGYBKFBNWKNV-UHFFFAOYSA-N -1 3 363.810 3.383 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]c2ncccc2Br)cc(C)c1F ZINC000135237049 495267063 /nfs/dbraw/zinc/26/70/63/495267063.db2.gz NGLBBUZYYYDINT-UHFFFAOYSA-N -1 3 359.220 3.401 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1cc(-c2cccc(Cl)c2)no1 ZINC000104116002 495268296 /nfs/dbraw/zinc/26/82/96/495268296.db2.gz OVQCGZGGEVMZTI-UHFFFAOYSA-N -1 3 366.768 3.427 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cc(-c2cccc(Cl)c2)no1 ZINC000104116002 495268297 /nfs/dbraw/zinc/26/82/97/495268297.db2.gz OVQCGZGGEVMZTI-UHFFFAOYSA-N -1 3 366.768 3.427 20 0 FGADHM CCCn1c(=O)c2ccccc2nc1S[C@@H](C)c1nc(C)cc(=O)[n-]1 ZINC000119923757 495270910 /nfs/dbraw/zinc/27/09/10/495270910.db2.gz CODSZMBGMZPUEF-LBPRGKRZSA-N -1 3 356.451 3.464 20 0 FGADHM COc1ccc(-c2ncc(C(=O)[N-]c3nc4ccc(F)cn4n3)s2)cc1 ZINC000129694353 495282141 /nfs/dbraw/zinc/28/21/41/495282141.db2.gz NICYBOHWOKSKNX-UHFFFAOYSA-N -1 3 369.381 3.253 20 0 FGADHM COCc1csc([N-]C(=O)c2cc(-c3ccc4c(c3)CCO4)no2)n1 ZINC000124421862 495284618 /nfs/dbraw/zinc/28/46/18/495284618.db2.gz BUBNIFCJHUIPLU-UHFFFAOYSA-N -1 3 357.391 3.132 20 0 FGADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCC[C@H](C)C2)cc1Cl ZINC000104734775 495302173 /nfs/dbraw/zinc/30/21/73/495302173.db2.gz BNGOCWNZXFNFGJ-GXSJLCMTSA-N -1 3 362.854 3.295 20 0 FGADHM CCc1c(C(=O)Nc2n[n-]c(-c3ccccc3F)n2)[nH]c(C)c1C(C)=O ZINC000113428565 495305289 /nfs/dbraw/zinc/30/52/89/495305289.db2.gz IVWHAECLCWTHJJ-UHFFFAOYSA-N -1 3 355.373 3.265 20 0 FGADHM O=C(Cn1ccc2ccc(Cl)cc21)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000135559930 495311668 /nfs/dbraw/zinc/31/16/68/495311668.db2.gz GUCPCZZSKOISES-UHFFFAOYSA-N -1 3 366.812 3.037 20 0 FGADHM O=C(Cn1ccc2ccc(Cl)cc21)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000135559930 495311675 /nfs/dbraw/zinc/31/16/75/495311675.db2.gz GUCPCZZSKOISES-UHFFFAOYSA-N -1 3 366.812 3.037 20 0 FGADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1ccc(-c2ccc(F)cc2)o1 ZINC000135574412 495312719 /nfs/dbraw/zinc/31/27/19/495312719.db2.gz JNIJYSPBDRODKE-UHFFFAOYSA-N -1 3 363.352 3.442 20 0 FGADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1ccc(-c2ccc(F)cc2)o1 ZINC000135574412 495312724 /nfs/dbraw/zinc/31/27/24/495312724.db2.gz JNIJYSPBDRODKE-UHFFFAOYSA-N -1 3 363.352 3.442 20 0 FGADHM Cc1ccc(C)c(C(=O)CCC(=O)Nc2ccc(Cc3nnn[n-]3)cc2)c1 ZINC000135573407 495313259 /nfs/dbraw/zinc/31/32/59/495313259.db2.gz FKGVEXHMGZUCSP-UHFFFAOYSA-N -1 3 363.421 3.009 20 0 FGADHM Cc1ccc(C)c(C(=O)CCC(=O)Nc2ccc(Cc3nn[n-]n3)cc2)c1 ZINC000135573407 495313261 /nfs/dbraw/zinc/31/32/61/495313261.db2.gz FKGVEXHMGZUCSP-UHFFFAOYSA-N -1 3 363.421 3.009 20 0 FGADHM CNS(=O)(=O)c1cc(NCc2cc([O-])cc(C(F)(F)F)c2)ccc1C ZINC000574443801 505774281 /nfs/dbraw/zinc/77/42/81/505774281.db2.gz WTGGYKFYGXZWJK-UHFFFAOYSA-N -1 3 374.384 3.240 20 0 FGADHM Cc1ccc(-n2cc(C(=O)[N-]c3nnc(-c4ccsc4)s3)nn2)cc1 ZINC000120168554 495320124 /nfs/dbraw/zinc/32/01/24/495320124.db2.gz CQIHIAOPPYJUNF-UHFFFAOYSA-N -1 3 368.447 3.408 20 0 FGADHM COc1ccc([C@@H]2[C@H](C(=O)Nc3ccc([O-])cc3F)CCC(=O)N2C)cc1 ZINC000124647438 495321898 /nfs/dbraw/zinc/32/18/98/495321898.db2.gz CBZPNUCFXHANBB-DNVCBOLYSA-N -1 3 372.396 3.088 20 0 FGADHM O=C(Nc1cnn(-c2cccc(C(F)(F)F)c2)c1)c1ccc2n[n-]nc2c1 ZINC000113915521 495335955 /nfs/dbraw/zinc/33/59/55/495335955.db2.gz RTCKOETZSGZPQG-UHFFFAOYSA-N -1 3 372.310 3.415 20 0 FGADHM Cc1nc(C)c(CC(=O)Nc2cc(-c3ccccc3)nn2C(C)C)c(=O)[n-]1 ZINC000113922290 495335977 /nfs/dbraw/zinc/33/59/77/495335977.db2.gz ABDBJKXLVLDXFL-UHFFFAOYSA-N -1 3 365.437 3.012 20 0 FGADHM Cc1cccc2[nH]c(C[N-]S(=O)(=O)c3cccc(Cl)c3F)nc21 ZINC000130090750 495339556 /nfs/dbraw/zinc/33/95/56/495339556.db2.gz TXPNKVKOHGYJAE-UHFFFAOYSA-N -1 3 353.806 3.142 20 0 FGADHM O=C(Nc1ccccc1[O-])c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000130261162 495364392 /nfs/dbraw/zinc/36/43/92/495364392.db2.gz QBQSCRIYAOIIBV-UHFFFAOYSA-N -1 3 359.179 3.249 20 0 FGADHM COc1ccccc1N1CC[C@@H](CNC(=O)Cc2ccc([O-])cc2Cl)C1 ZINC000136240671 495367320 /nfs/dbraw/zinc/36/73/20/495367320.db2.gz ZOIVHGHURPZQJW-AWEZNQCLSA-N -1 3 374.868 3.239 20 0 FGADHM COc1cccc(N2CC[C@@H](CNC(=O)Cc3ccc([O-])cc3Cl)C2)c1 ZINC000136248905 495367725 /nfs/dbraw/zinc/36/77/25/495367725.db2.gz QFGQEZISFFJULJ-AWEZNQCLSA-N -1 3 374.868 3.239 20 0 FGADHM CN(C)Cc1cc(CNC(=O)Cc2ccc([O-])cc2Cl)ccc1F ZINC000136282163 495369141 /nfs/dbraw/zinc/36/91/41/495369141.db2.gz MHLIBKQSBWVPJD-UHFFFAOYSA-N -1 3 350.821 3.105 20 0 FGADHM CCNC(=O)N1CCc2ccc(NC(=O)Cc3ccc([O-])cc3Cl)cc21 ZINC000136301420 495369881 /nfs/dbraw/zinc/36/98/81/495369881.db2.gz YQYDSJUFDTYWOP-UHFFFAOYSA-N -1 3 373.840 3.319 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)cc2C)ccc1F ZINC000105590463 495374831 /nfs/dbraw/zinc/37/48/31/495374831.db2.gz ZBFJLSYEWJBQCD-UHFFFAOYSA-N -1 3 364.442 3.080 20 0 FGADHM Cc1ccc([O-])c(C(=O)N[C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)c1 ZINC000130339654 495375914 /nfs/dbraw/zinc/37/59/14/495375914.db2.gz FVBINKGVJOGDOC-ZDUSSCGKSA-N -1 3 353.422 3.476 20 0 FGADHM COc1cc(Cl)c(S(=O)(=O)[N-]Cc2cccc(C)n2)cc1Cl ZINC000105618532 495377187 /nfs/dbraw/zinc/37/71/87/495377187.db2.gz WXCGKYMDRMXJMH-UHFFFAOYSA-N -1 3 361.250 3.184 20 0 FGADHM O=C(CC/C=C/c1ccccc1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000130407250 495387488 /nfs/dbraw/zinc/38/74/88/495387488.db2.gz UXVWICWHZSNEHE-XBXARRHUSA-N -1 3 364.445 3.170 20 0 FGADHM CC1(C)CC(=O)c2cc(NC(=O)c3cc(=O)[n-]c(C4CC4)n3)ccc2O1 ZINC000574463481 505779180 /nfs/dbraw/zinc/77/91/80/505779180.db2.gz PVMIJKJSERGWTQ-UHFFFAOYSA-N -1 3 353.378 3.056 20 0 FGADHM Cc1ccc(NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)c(Cl)c1 ZINC000136700763 495396131 /nfs/dbraw/zinc/39/61/31/495396131.db2.gz YAYSSXDHPXHXHE-UHFFFAOYSA-N -1 3 373.840 3.344 20 0 FGADHM CCc1nccn1[C@H]1CCCN(C(=O)c2c([O-])cnc3ccccc32)C1 ZINC000136767745 495400213 /nfs/dbraw/zinc/40/02/13/495400213.db2.gz YJVQLAFMZDAKNE-AWEZNQCLSA-N -1 3 350.422 3.177 20 0 FGADHM COc1ccc(C(=O)NCCc2nc(-c3cccc(Cl)c3)no2)c([O-])c1 ZINC000114647299 495404105 /nfs/dbraw/zinc/40/41/05/495404105.db2.gz XCFAYHAQLDOIJD-UHFFFAOYSA-N -1 3 373.796 3.077 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N[C@H]2CCCc3sccc32)c([O-])c1 ZINC000137397963 495439143 /nfs/dbraw/zinc/43/91/43/495439143.db2.gz CVWUJOINDRFVGQ-HNNXBMFYSA-N -1 3 358.463 3.076 20 0 FGADHM O=S(=O)([N-]C[C@H](CO)c1ccccc1)c1cc(Cl)ccc1Cl ZINC000125446277 495445976 /nfs/dbraw/zinc/44/59/76/495445976.db2.gz PJXOYDULUSHTGU-GFCCVEGCSA-N -1 3 360.262 3.048 20 0 FGADHM Cc1nn2c(nnc2S[C@@H](C)C(=O)c2ccc(C(C)(C)C)cc2)[n-]c1=O ZINC000106404392 495452416 /nfs/dbraw/zinc/45/24/16/495452416.db2.gz BRGXVUCOPGHJNA-NSHDSACASA-N -1 3 371.466 3.194 20 0 FGADHM Cc1nn2c(nnc2SCc2csc(Nc3ccccc3)n2)[n-]c1=O ZINC000106404371 495452425 /nfs/dbraw/zinc/45/24/25/495452425.db2.gz IBJCIVCHIKXCKY-UHFFFAOYSA-N -1 3 371.451 3.026 20 0 FGADHM C[C@@H](C(=O)[N-]c1cc(-c2ccc(C(C)(C)C)cc2)no1)S(C)(=O)=O ZINC000115157009 495468455 /nfs/dbraw/zinc/46/84/55/495468455.db2.gz RBDCUJITKXVDJA-NSHDSACASA-N -1 3 350.440 3.011 20 0 FGADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2cc(-c3cccs3)on2)CC1 ZINC000131032557 495482257 /nfs/dbraw/zinc/48/22/57/495482257.db2.gz KTUWLMSVPWTUEK-UHFFFAOYSA-N -1 3 369.446 3.067 20 0 FGADHM O=S(=O)([N-]Cc1ccn(C2CCCC2)n1)c1cc(F)ccc1Cl ZINC000125703498 495485287 /nfs/dbraw/zinc/48/52/87/495485287.db2.gz UYQPZRVEMKEQQX-UHFFFAOYSA-N -1 3 357.838 3.269 20 0 FGADHM O=C(NCCOCc1ccc(Cl)cc1)NCc1ccc([O-])c(F)c1 ZINC000120937723 495488023 /nfs/dbraw/zinc/48/80/23/495488023.db2.gz 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ZINC000115484800 495509902 /nfs/dbraw/zinc/50/99/02/495509902.db2.gz BYVVZMLHTULGRX-VWLOTQADSA-N -1 3 374.849 3.312 20 0 FGADHM C[S@@](=O)Cc1cc(NC(=O)c2cnc3ccccc3c2[O-])ccc1Cl ZINC000115484800 495509903 /nfs/dbraw/zinc/50/99/03/495509903.db2.gz BYVVZMLHTULGRX-VWLOTQADSA-N -1 3 374.849 3.312 20 0 FGADHM Cc1noc2ncc(C(=O)[N-]c3nc(Cc4ccccc4)ns3)cc12 ZINC000107199889 495523440 /nfs/dbraw/zinc/52/34/40/495523440.db2.gz ZAKRYAUYMACEAF-UHFFFAOYSA-N -1 3 351.391 3.226 20 0 FGADHM CCOC(=O)[C@@H](Cc1ccccc1)N(C(=O)c1cccc([O-])c1)C1CC1 ZINC000182394914 495546867 /nfs/dbraw/zinc/54/68/67/495546867.db2.gz RUCIMKYITSJMHK-LJQANCHMSA-N -1 3 353.418 3.171 20 0 FGADHM O=C(Cc1ccc([O-])cc1Cl)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000158613003 495550584 /nfs/dbraw/zinc/55/05/84/495550584.db2.gz OQTLNCASMTXVFI-CQSZACIVSA-N -1 3 370.840 3.037 20 0 FGADHM CC(=O)N1CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C(C)(C)C1 ZINC000182419942 495556755 /nfs/dbraw/zinc/55/67/55/495556755.db2.gz AQPYOWNESUTBRY-UHFFFAOYSA-N -1 3 368.433 3.267 20 0 FGADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(O)c2F)c2ccccc12 ZINC000182418861 495557122 /nfs/dbraw/zinc/55/71/22/495557122.db2.gz FZSHSJXPOPEIQV-UHFFFAOYSA-N -1 3 374.393 3.444 20 0 FGADHM COc1nnc(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[n-]1 ZINC000179361043 495559879 /nfs/dbraw/zinc/55/98/79/495559879.db2.gz VHBCRKOVVMEEQL-UHFFFAOYSA-N -1 3 354.210 3.103 20 0 FGADHM COc1nc(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n[n-]1 ZINC000179361043 495559890 /nfs/dbraw/zinc/55/98/90/495559890.db2.gz VHBCRKOVVMEEQL-UHFFFAOYSA-N -1 3 354.210 3.103 20 0 FGADHM COc1n[n-]c(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000179361043 495559896 /nfs/dbraw/zinc/55/98/96/495559896.db2.gz VHBCRKOVVMEEQL-UHFFFAOYSA-N -1 3 354.210 3.103 20 0 FGADHM CCc1cc([N-]S(=O)(=O)c2ccc(F)c(NC(C)=O)c2)ccc1C ZINC000182431888 495561404 /nfs/dbraw/zinc/56/14/04/495561404.db2.gz WXEFRIYZZOQHJZ-UHFFFAOYSA-N -1 3 350.415 3.456 20 0 FGADHM C[C@H](c1ccccc1)N1CCC(NC(=O)c2cccc(C(=O)[O-])c2)CC1 ZINC000571680617 505789335 /nfs/dbraw/zinc/78/93/35/505789335.db2.gz ZSYWSORSPHGVJP-OAHLLOKOSA-N -1 3 352.434 3.340 20 0 FGADHM CC1(C(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)CCCCC1 ZINC000154269044 495562801 /nfs/dbraw/zinc/56/28/01/495562801.db2.gz JJOKHOGUWZTSPS-UHFFFAOYSA-N -1 3 354.447 3.175 20 0 FGADHM Cc1cc(C)cc([C@H]2CCN(C(=O)Nc3ccc4c(c3)C(=O)[N-]C4=O)C2)c1 ZINC000182437264 495564122 /nfs/dbraw/zinc/56/41/22/495564122.db2.gz FPUCZRZBXVLKDT-AWEZNQCLSA-N -1 3 363.417 3.208 20 0 FGADHM O=C(NCc1c(Cl)cccc1Cl)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000146500497 495567648 /nfs/dbraw/zinc/56/76/48/495567648.db2.gz DPURNELQNSQBHI-UHFFFAOYSA-N -1 3 364.188 3.199 20 0 FGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1nc(-c2ccc(C)cc2)cs1 ZINC000176261336 495568210 /nfs/dbraw/zinc/56/82/10/495568210.db2.gz MGDXPZUEQFOBNI-UHFFFAOYSA-N -1 3 372.475 3.484 20 0 FGADHM Cc1nc(S(=O)(=O)[N-][C@H](C)c2cc(F)c(Cl)cc2Cl)cn1C ZINC000170731186 495582584 /nfs/dbraw/zinc/58/25/84/495582584.db2.gz KMXRNJSQRXPVHU-SSDOTTSWSA-N -1 3 366.245 3.214 20 0 FGADHM C[C@@H]1CN(Cc2ccc(CNCc3cc([O-])cc(F)c3)cc2)C[C@@H](C)O1 ZINC000185458230 495584389 /nfs/dbraw/zinc/58/43/89/495584389.db2.gz KFZXYRBMLYJBRK-HZPDHXFCSA-N -1 3 358.457 3.430 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N(C2CC2)C2CCCC2)c1 ZINC000179480148 495607407 /nfs/dbraw/zinc/60/74/07/495607407.db2.gz MGMALEAKLHCUHK-UHFFFAOYSA-N -1 3 369.421 3.488 20 0 FGADHM CNC(=O)c1ccc([N-]S(=O)(=O)c2cc(C)sc2C)c(Cl)c1 ZINC000158889431 495609903 /nfs/dbraw/zinc/60/99/03/495609903.db2.gz BTZZEMGAIBYYGY-UHFFFAOYSA-N -1 3 358.872 3.179 20 0 FGADHM O=C(N[C@H]1CCO[C@H]1c1ccc(Cl)cc1)c1c[n-]c2ccccc2c1=O ZINC000182554031 495612013 /nfs/dbraw/zinc/61/20/13/495612013.db2.gz CZNLYHQHYYTYOQ-HKUYNNGSSA-N -1 3 368.820 3.442 20 0 FGADHM O=C(Cc1ccc([O-])cc1Cl)NC1(c2noc(C3CC3)n2)CCCC1 ZINC000182554183 495612227 /nfs/dbraw/zinc/61/22/27/495612227.db2.gz LMCKLRKLLDRJLG-UHFFFAOYSA-N -1 3 361.829 3.434 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]c2c(F)cccc2CO)ccc1Br ZINC000158899892 495612402 /nfs/dbraw/zinc/61/24/02/495612402.db2.gz JYQFQSZCUMPIQI-UHFFFAOYSA-N -1 3 374.231 3.190 20 0 FGADHM Cc1ccc(C(F)(F)F)cc1NC(=O)[C@H]1CC[C@@H](C(F)(F)F)[N-]C1=O ZINC000173618741 495617435 /nfs/dbraw/zinc/61/74/35/495617435.db2.gz WMXGBNOOFXRXTC-KOLCDFICSA-N -1 3 368.277 3.409 20 0 FGADHM COCCn1ccc(NC(=O)c2cc(Oc3ccccc3)ccc2[O-])n1 ZINC000179515609 495623838 /nfs/dbraw/zinc/62/38/38/495623838.db2.gz DJPBYKVBEVNJAR-UHFFFAOYSA-N -1 3 353.378 3.280 20 0 FGADHM COC(=O)C(C)(C)CS(=O)(=O)[N-]c1cccc(OCCC(C)C)c1 ZINC000577793502 505793626 /nfs/dbraw/zinc/79/36/26/505793626.db2.gz IWEHBNJCSKMSQG-UHFFFAOYSA-N -1 3 357.472 3.052 20 0 FGADHM O=C(COc1ccccc1Br)[N-]c1nncn1-c1ccccc1 ZINC000182609373 495635836 /nfs/dbraw/zinc/63/58/36/495635836.db2.gz ITXIXVJMLVPLOF-UHFFFAOYSA-N -1 3 373.210 3.047 20 0 FGADHM CCC(CC)(C(=O)NCCCNC(=O)c1cccc([O-])c1)c1ccccc1 ZINC000154499699 495636165 /nfs/dbraw/zinc/63/61/65/495636165.db2.gz OBHXRSIHKCLMJS-UHFFFAOYSA-N -1 3 368.477 3.386 20 0 FGADHM Cc1cccc([O-])c1NC(=O)c1cc(Br)c2c(c1)OCCO2 ZINC000179552569 495638192 /nfs/dbraw/zinc/63/81/92/495638192.db2.gz ZJNIAZLNBXFNEO-UHFFFAOYSA-N -1 3 364.195 3.487 20 0 FGADHM FC(F)COc1ccnc(-c2noc(-c3n[n-]nc3-c3ccccc3)n2)c1 ZINC000580601496 505794281 /nfs/dbraw/zinc/79/42/81/505794281.db2.gz NHKBTMQNDLUBML-UHFFFAOYSA-N -1 3 370.319 3.228 20 0 FGADHM CN1CCO[C@@H]([C@H](NCc2cc([O-])cc(F)c2)c2ccc(Cl)cc2)C1 ZINC000185614913 495645248 /nfs/dbraw/zinc/64/52/48/495645248.db2.gz BTEIPRJDNWSVGO-RTBURBONSA-N -1 3 364.848 3.346 20 0 FGADHM COc1cccc(C(=O)Nc2cc(Br)ccc2[O-])c1OC ZINC000176438048 495650300 /nfs/dbraw/zinc/65/03/00/495650300.db2.gz OSGQTUGUCMQMCG-UHFFFAOYSA-N -1 3 352.184 3.424 20 0 FGADHM Cc1cc(F)ccc1-n1cc(C(=O)[N-]c2ncn(C3CCCCC3)n2)nn1 ZINC000182665842 495655866 /nfs/dbraw/zinc/65/58/66/495655866.db2.gz CQKWMRBQWJRFRJ-UHFFFAOYSA-N -1 3 369.404 3.064 20 0 FGADHM COC[C@@H]([N-]S(=O)(=O)c1c(C)cccc1F)c1ccc(F)c(F)c1 ZINC000185667420 495669591 /nfs/dbraw/zinc/66/95/91/495669591.db2.gz ZEOWWNIAAVADNS-OAHLLOKOSA-N -1 3 359.369 3.078 20 0 FGADHM CC(C)(C)c1csc(CCNC(=O)NCc2ccc([O-])c(F)c2)n1 ZINC000159193549 495681387 /nfs/dbraw/zinc/68/13/87/495681387.db2.gz MYJKGXYUWUOTLP-UHFFFAOYSA-N -1 3 351.447 3.327 20 0 FGADHM C[C@@H](CC(=O)N(C)Cc1nc2ccsc2c(=O)[n-]1)Cc1cccc(F)c1 ZINC000173791818 495695352 /nfs/dbraw/zinc/69/53/52/495695352.db2.gz IQXVJDMGWBUHSY-GFCCVEGCSA-N -1 3 373.453 3.351 20 0 FGADHM Cc1ccc(C(=O)N2CCc3c(ncn3CCc3ccccc3)C2)c([O-])c1 ZINC000179700434 495695967 /nfs/dbraw/zinc/69/59/67/495695967.db2.gz MIMAKLBPTKBPHD-UHFFFAOYSA-N -1 3 361.445 3.338 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)Cc3cccc4cccnc43)[n-]c21 ZINC000159270980 495699029 /nfs/dbraw/zinc/69/90/29/495699029.db2.gz IDICQOMBIRWMDK-UHFFFAOYSA-N -1 3 360.373 3.079 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)Cc3cccc4cccnc43)nc21 ZINC000159270980 495699034 /nfs/dbraw/zinc/69/90/34/495699034.db2.gz IDICQOMBIRWMDK-UHFFFAOYSA-N -1 3 360.373 3.079 20 0 FGADHM CN1CC[C@H](CNC(=O)c2cncc([O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179709742 495699255 /nfs/dbraw/zinc/69/92/55/495699255.db2.gz RQPHPHLOBNXQQC-PXAZEXFGSA-N -1 3 363.820 3.003 20 0 FGADHM O=S(=O)([N-][C@@H](c1ccccc1)[C@H]1CCCO1)c1cc(F)cc(F)c1 ZINC000171041903 495700702 /nfs/dbraw/zinc/70/07/02/495700702.db2.gz YORWYXFLGLGZLV-SJORKVTESA-N -1 3 353.390 3.163 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N[C@H](CCCO)c3ccccc3)c[n-]c12 ZINC000185774264 495720974 /nfs/dbraw/zinc/72/09/74/495720974.db2.gz WDKZRANTZMDLCO-GOSISDBHSA-N -1 3 368.408 3.219 20 0 FGADHM Cn1ncnc1SCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000185773453 495721017 /nfs/dbraw/zinc/72/10/17/495721017.db2.gz DETGFXQUOBAVRW-UHFFFAOYSA-N -1 3 355.448 3.072 20 0 FGADHM O=C(NCCCNC(=O)c1cccc([O-])c1)c1cc2cc(F)ccc2s1 ZINC000171091522 495721040 /nfs/dbraw/zinc/72/10/40/495721040.db2.gz AESBZURXBUJQRI-UHFFFAOYSA-N -1 3 372.421 3.296 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)NCCCN(C)c3ccccc3)c[n-]c12 ZINC000154770111 495723292 /nfs/dbraw/zinc/72/32/92/495723292.db2.gz MLHJPJRZCRTQJJ-UHFFFAOYSA-N -1 3 367.424 3.232 20 0 FGADHM COc1cccc(C(=O)N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)c1[O-] ZINC000182863244 495732442 /nfs/dbraw/zinc/73/24/42/495732442.db2.gz SWZBPDLOGPQTSE-LLVKDONJSA-N -1 3 369.343 3.093 20 0 FGADHM COc1cc(C(=O)Nc2ccc(C)cc2[O-])ccc1OCc1cnn(C)c1 ZINC000154888780 495762100 /nfs/dbraw/zinc/76/21/00/495762100.db2.gz HLZBZSSJECTGBJ-UHFFFAOYSA-N -1 3 367.405 3.274 20 0 FGADHM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cccc(F)c2C)c1 ZINC000173999822 495782444 /nfs/dbraw/zinc/78/24/44/495782444.db2.gz UVLVHVIVJFGNCA-UHFFFAOYSA-N -1 3 357.790 3.375 20 0 FGADHM COc1nnc(NC(=O)c2cn(C(C)(C)C)nc2-c2ccccc2Cl)[n-]1 ZINC000182989474 495787555 /nfs/dbraw/zinc/78/75/55/495787555.db2.gz ODJBXHMWLDKWAV-UHFFFAOYSA-N -1 3 374.832 3.338 20 0 FGADHM COc1nc(NC(=O)c2cn(C(C)(C)C)nc2-c2ccccc2Cl)n[n-]1 ZINC000182989474 495787561 /nfs/dbraw/zinc/78/75/61/495787561.db2.gz ODJBXHMWLDKWAV-UHFFFAOYSA-N -1 3 374.832 3.338 20 0 FGADHM COc1n[n-]c(NC(=O)c2cn(C(C)(C)C)nc2-c2ccccc2Cl)n1 ZINC000182989474 495787565 /nfs/dbraw/zinc/78/75/65/495787565.db2.gz ODJBXHMWLDKWAV-UHFFFAOYSA-N -1 3 374.832 3.338 20 0 FGADHM C[C@@H](C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)n1cncn1 ZINC000179933789 495790223 /nfs/dbraw/zinc/79/02/23/495790223.db2.gz VEEWGPRNPPSCJR-NSHDSACASA-N -1 3 365.418 3.460 20 0 FGADHM COc1cccc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3ccc(C)cc3)n2)c1 ZINC000174034042 495797235 /nfs/dbraw/zinc/79/72/35/495797235.db2.gz GDMSXMDLJAOOPW-CYBMUJFWSA-N -1 3 373.434 3.093 20 0 FGADHM COc1cc(Br)c(S(=O)(=O)[N-][C@@H](C)C2CC2)cc1Cl ZINC000176820350 495799552 /nfs/dbraw/zinc/79/95/52/495799552.db2.gz HWDIMNFPNMNJCX-ZETCQYMHSA-N -1 3 368.680 3.188 20 0 FGADHM Cc1nc(C)c(S(=O)(=O)[N-][C@@H]2CCSc3c(F)cccc32)s1 ZINC000176833082 495803633 /nfs/dbraw/zinc/80/36/33/495803633.db2.gz CYKJRAFGMPDVQG-GFCCVEGCSA-N -1 3 358.485 3.414 20 0 FGADHM Cc1cccc([O-])c1NC(=O)c1cc2c(c(Br)c1)OCO2 ZINC000183026893 495803768 /nfs/dbraw/zinc/80/37/68/495803768.db2.gz IMHOUQZGLLXUMT-UHFFFAOYSA-N -1 3 350.168 3.444 20 0 FGADHM COc1cc(C(=O)[N-]c2cc(C(=O)Nc3ccccc3)ccc2C)on1 ZINC000155027164 495808131 /nfs/dbraw/zinc/80/81/31/495808131.db2.gz KXHXJVRCOVMLMH-UHFFFAOYSA-N -1 3 351.362 3.496 20 0 FGADHM Cc1noc(C)c1S(=O)(=O)[N-]C[C@@H]1CCCO[C@H]1c1ccc(C)cc1 ZINC000174080994 495812652 /nfs/dbraw/zinc/81/26/52/495812652.db2.gz UFJQUOXGBYHMJS-IRXDYDNUSA-N -1 3 364.467 3.046 20 0 FGADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N[C@H]3CC=CCC3)cs2)c1 ZINC000180039020 495833100 /nfs/dbraw/zinc/83/31/00/495833100.db2.gz RMOISCJFNAAHBF-ZDUSSCGKSA-N -1 3 371.462 3.177 20 0 FGADHM Cc1nc(S(=O)(=O)Cc2nccn2C(C)C)[n-]c1Cc1ccccc1 ZINC000176953652 495856080 /nfs/dbraw/zinc/85/60/80/495856080.db2.gz WCKRHMAANDIWGV-UHFFFAOYSA-N -1 3 358.467 3.060 20 0 FGADHM Cc1[n-]c(S(=O)(=O)Cc2nccn2C(C)C)nc1Cc1ccccc1 ZINC000176953652 495856082 /nfs/dbraw/zinc/85/60/82/495856082.db2.gz WCKRHMAANDIWGV-UHFFFAOYSA-N -1 3 358.467 3.060 20 0 FGADHM Brc1c(-c2nc(-c3cnccn3)no2)n[n-]c1-c1ccccc1 ZINC000177025549 495889325 /nfs/dbraw/zinc/88/93/25/495889325.db2.gz LJGKHZYGRKRKPI-UHFFFAOYSA-N -1 3 369.182 3.346 20 0 FGADHM Brc1c(-c2ccccc2)n[n-]c1-c1nc(-c2cnccn2)no1 ZINC000177025549 495889331 /nfs/dbraw/zinc/88/93/31/495889331.db2.gz LJGKHZYGRKRKPI-UHFFFAOYSA-N -1 3 369.182 3.346 20 0 FGADHM Cc1nc(C(F)(F)F)c(CN(C)Cc2nc3ccsc3c(=O)[n-]2)s1 ZINC000186191192 495890702 /nfs/dbraw/zinc/89/07/02/495890702.db2.gz ZEPVPCCROSCWJV-UHFFFAOYSA-N -1 3 374.413 3.400 20 0 FGADHM CN(Cc1ccccc1)CC(C)(C)NC(=O)c1cc(F)c(F)c([O-])c1F ZINC000180190295 495898898 /nfs/dbraw/zinc/89/88/98/495898898.db2.gz BPOSMRIMAUJOFM-UHFFFAOYSA-N -1 3 366.383 3.450 20 0 FGADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N3CCC(C)CC3)cs2)c1 ZINC000183302376 495922951 /nfs/dbraw/zinc/92/29/51/495922951.db2.gz NBHNIVAVDKNNCC-UHFFFAOYSA-N -1 3 373.478 3.210 20 0 FGADHM C[C@@H]1CCN(C(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)c2c([O-])cccc21 ZINC000186301243 495936676 /nfs/dbraw/zinc/93/66/76/495936676.db2.gz HZJKNYHCIQBHFK-ABAIWWIYSA-N -1 3 354.381 3.498 20 0 FGADHM C[C@H]1CCN(C(=O)c2cnc(-c3ncccn3)s2)c2c([O-])cccc21 ZINC000186305566 495938627 /nfs/dbraw/zinc/93/86/27/495938627.db2.gz KYJLSZSSDGPJMF-NSHDSACASA-N -1 3 352.419 3.460 20 0 FGADHM C[C@@H]1CCN(C(=O)c2cc(S(C)(=O)=O)cs2)c2c([O-])cccc21 ZINC000186309695 495941829 /nfs/dbraw/zinc/94/18/29/495941829.db2.gz NEXDJBOLIPNLGO-SNVBAGLBSA-N -1 3 351.449 3.011 20 0 FGADHM O=C1[C@H]([N-]c2nnc(C(F)(F)F)s2)CCN1CCCc1ccccc1 ZINC000155390169 495942231 /nfs/dbraw/zinc/94/22/31/495942231.db2.gz IENFLBXEPQKOQD-GFCCVEGCSA-N -1 3 370.400 3.203 20 0 FGADHM C[C@H]1CCN(C(=O)c2cccc3c2O[C@@H](C)C(=O)N3)c2c([O-])cccc21 ZINC000186319706 495945459 /nfs/dbraw/zinc/94/54/59/495945459.db2.gz AJVWWINENLTTQG-RYUDHWBXSA-N -1 3 352.390 3.266 20 0 FGADHM C[C@H]1CCN(C(=O)c2ccc3c(c2)CCC(=O)N3C)c2c([O-])cccc21 ZINC000186321911 495947116 /nfs/dbraw/zinc/94/71/16/495947116.db2.gz SOPUMMIAQFTIEQ-ZDUSSCGKSA-N -1 3 350.418 3.455 20 0 FGADHM CC[C@@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1Cc1ncccc1[O-] ZINC000577900789 505814635 /nfs/dbraw/zinc/81/46/35/505814635.db2.gz NSYVUSWMQYTZHQ-UZLBHIALSA-N -1 3 354.498 3.223 20 0 FGADHM CCc1nnc(C[N-]S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)s1 ZINC000577904220 505815527 /nfs/dbraw/zinc/81/55/27/505815527.db2.gz AHIVBTYJWRIVDX-UHFFFAOYSA-N -1 3 366.295 3.027 20 0 FGADHM CCOc1ccccc1C(=O)NCC(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000186392496 495979737 /nfs/dbraw/zinc/97/97/37/495979737.db2.gz NGNGDQJWQBDILW-AWEZNQCLSA-N -1 3 368.433 3.061 20 0 FGADHM C[C@@H](CCC1CCCCC1)NC(=O)c1cccc([C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000151928155 495994949 /nfs/dbraw/zinc/99/49/49/495994949.db2.gz NYERQEFELXOJDV-QKKBWIMNSA-N -1 3 371.481 3.220 20 0 FGADHM CCO[C@H](C)c1nc(CN(C)C(=O)c2ccc(OC)cc2[O-])cs1 ZINC000174549274 496005011 /nfs/dbraw/zinc/00/50/11/496005011.db2.gz MYIRZLHCSZMZQO-LLVKDONJSA-N -1 3 350.440 3.227 20 0 FGADHM Cc1nc(C)c(S(=O)(=O)[N-]Cc2ccccc2N2CCCCC2)s1 ZINC000183495679 496008617 /nfs/dbraw/zinc/00/86/17/496008617.db2.gz KZLZSJICQBAGQL-UHFFFAOYSA-N -1 3 365.524 3.229 20 0 FGADHM CC(C)n1nc(C(=O)N2CCCc3cccc([O-])c32)c2ccccc2c1=O ZINC000155620276 496015319 /nfs/dbraw/zinc/01/53/19/496015319.db2.gz GRAIFYHFIDUVDC-UHFFFAOYSA-N -1 3 363.417 3.276 20 0 FGADHM C[C@@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccc(Br)cc1 ZINC000160666881 496015990 /nfs/dbraw/zinc/01/59/90/496015990.db2.gz HUMBAFIUQDBWRF-SNVBAGLBSA-N -1 3 372.226 3.371 20 0 FGADHM C[C@@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccc(Br)cc1 ZINC000160666881 496015996 /nfs/dbraw/zinc/01/59/96/496015996.db2.gz HUMBAFIUQDBWRF-SNVBAGLBSA-N -1 3 372.226 3.371 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)NCCc3c(F)cccc3F)c[n-]c12 ZINC000155672783 496032191 /nfs/dbraw/zinc/03/21/91/496032191.db2.gz GQSPMMUVPYBMCZ-UHFFFAOYSA-N -1 3 360.335 3.226 20 0 FGADHM COC(=O)[C@](C)([N-]C(=O)CC(F)(F)F)c1ccc(Cl)c(Cl)c1 ZINC000186550571 496040594 /nfs/dbraw/zinc/04/05/94/496040594.db2.gz XVXQIRGNYAJUNS-GFCCVEGCSA-N -1 3 358.143 3.450 20 0 FGADHM Cc1c(C(=O)[N-]c2n[nH]c(-c3ccccc3F)n2)oc2c1C(=O)CCC2 ZINC000171808947 496045452 /nfs/dbraw/zinc/04/54/52/496045452.db2.gz JWRXSOQVAVYINF-UHFFFAOYSA-N -1 3 354.341 3.284 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CC[C@H]3CC[C@@H](C)O3)c2)n1 ZINC000174650887 496047200 /nfs/dbraw/zinc/04/72/00/496047200.db2.gz AVMJSTUAAXGQIU-CXAGYDPISA-N -1 3 355.438 3.286 20 0 FGADHM C[C@@H]1CCc2c(sc3[n-]c(CC(=O)N(C)C4CCCCC4)nc(=O)c23)C1 ZINC000171856468 496064303 /nfs/dbraw/zinc/06/43/03/496064303.db2.gz SJAYQXYJYKHZKE-GFCCVEGCSA-N -1 3 373.522 3.443 20 0 FGADHM CCCN(Cc1ccccc1)C(=O)C(=O)[N-]c1sccc1C(=O)OCC ZINC000174694848 496065303 /nfs/dbraw/zinc/06/53/03/496065303.db2.gz ZAHRGJARYXXWHB-UHFFFAOYSA-N -1 3 374.462 3.302 20 0 FGADHM Cc1ccc(C(=O)C2CCN(S(=O)(=O)c3ccc([O-])cc3)CC2)c(C)c1 ZINC000580710667 505821087 /nfs/dbraw/zinc/82/10/87/505821087.db2.gz NYYLLDDMVUCGNI-UHFFFAOYSA-N -1 3 373.474 3.293 20 0 FGADHM Cc1cccc(CS(=O)(=O)[N-]Cc2nnc(-c3ccccc3)s2)c1 ZINC000177524583 496097354 /nfs/dbraw/zinc/09/73/54/496097354.db2.gz NYTARHBIDYEGRP-UHFFFAOYSA-N -1 3 359.476 3.133 20 0 FGADHM C[C@@H](C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)c1nccs1 ZINC000186687574 496107767 /nfs/dbraw/zinc/10/77/67/496107767.db2.gz CXWFWWZQHNYJLQ-QMMMGPOBSA-N -1 3 368.377 3.383 20 0 FGADHM C[C@@H](CC(=O)c1cccs1)[N-]S(=O)(=O)c1cccc2c1N=S=N2 ZINC000152304696 496110687 /nfs/dbraw/zinc/11/06/87/496110687.db2.gz ZLHIRFNMVWGGDX-VIFPVBQESA-N -1 3 367.477 3.414 20 0 FGADHM C[C@@H](CC(=O)c1cccs1)[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000152348657 496124417 /nfs/dbraw/zinc/12/44/17/496124417.db2.gz LTPZBBZPANKEKA-VIFPVBQESA-N -1 3 361.847 3.480 20 0 FGADHM CC(C)(C)[S@@](=O)Cc1cccc(NC([O-])=NO[C@H]2CCCCO2)c1 ZINC000156049647 496143063 /nfs/dbraw/zinc/14/30/63/496143063.db2.gz PNXNCHPVQDGJGT-IZHWHUGBSA-N -1 3 354.472 3.314 20 0 FGADHM CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)[N-]O[C@H]2CCCCO2)c1 ZINC000156049647 496143067 /nfs/dbraw/zinc/14/30/67/496143067.db2.gz PNXNCHPVQDGJGT-IZHWHUGBSA-N -1 3 354.472 3.314 20 0 FGADHM CC(C)c1ccccc1NC(=O)c1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000177648432 496146179 /nfs/dbraw/zinc/14/61/79/496146179.db2.gz NKWQYQKYUCWIGL-FQEVSTJZSA-N -1 3 351.406 3.117 20 0 FGADHM O=C([N-]OCc1cccnc1)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC000152440624 496152965 /nfs/dbraw/zinc/15/29/65/496152965.db2.gz LDMRRRISOKCMQK-ZIAGYGMSSA-N -1 3 352.312 3.332 20 0 FGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccccc2-c2ccccc2)c(C)o1 ZINC000177672955 496154396 /nfs/dbraw/zinc/15/43/96/496154396.db2.gz UICJDXSUZQUISB-UHFFFAOYSA-N -1 3 370.430 3.415 20 0 FGADHM C[C@@H](c1ccc(-n2cncn2)cc1)N(C)CCOc1ccccc1C(=O)[O-] ZINC000183911462 496158146 /nfs/dbraw/zinc/15/81/46/496158146.db2.gz VNZWTCPKRQDPBM-HNNXBMFYSA-N -1 3 366.421 3.037 20 0 FGADHM O=C([O-])c1ccccc1OCCN1CC[C@H](OCCCc2ccccc2)C1 ZINC000183928737 496165629 /nfs/dbraw/zinc/16/56/29/496165629.db2.gz CRRZUWWNQKUHLV-IBGZPJMESA-N -1 3 369.461 3.487 20 0 FGADHM CCOC(=O)c1[nH]c(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2F)c1C ZINC000177719196 496170993 /nfs/dbraw/zinc/17/09/93/496170993.db2.gz KCNMKXJPVVGOIL-UHFFFAOYSA-N -1 3 374.821 3.402 20 0 FGADHM COCC[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1OCCC1CC1 ZINC000186832791 496172880 /nfs/dbraw/zinc/17/28/80/496172880.db2.gz RCNIDZLVXHVXJZ-GFCCVEGCSA-N -1 3 361.891 3.222 20 0 FGADHM C[C@H](C(=O)Nc1ccccc1C(F)(F)F)S(=O)(=O)c1cccc([O-])c1 ZINC000183977639 496185280 /nfs/dbraw/zinc/18/52/80/496185280.db2.gz PCSHVOYNWJTQSM-SNVBAGLBSA-N -1 3 373.352 3.212 20 0 FGADHM Cc1ccc(Cl)cc1NC(=O)[C@@H](C)S(=O)(=O)c1cccc([O-])c1 ZINC000183986182 496188225 /nfs/dbraw/zinc/18/82/25/496188225.db2.gz MFLZPWPGNSOUCN-LLVKDONJSA-N -1 3 353.827 3.155 20 0 FGADHM CCN(Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1)C[C@H]1CCCO1 ZINC000172172806 496194724 /nfs/dbraw/zinc/19/47/24/496194724.db2.gz JRIIOKOTVIPSFV-GFCCVEGCSA-N -1 3 359.451 3.246 20 0 FGADHM O=S(=O)(CCc1cc(Cl)c2c(c1)OCCCO2)c1cccc([O-])c1 ZINC000184002408 496195484 /nfs/dbraw/zinc/19/54/84/496195484.db2.gz UKWYGPSESANBJT-UHFFFAOYSA-N -1 3 368.838 3.223 20 0 FGADHM CCOc1ccc(C(C)=O)cc1CN(C)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000569010671 505829392 /nfs/dbraw/zinc/82/93/92/505829392.db2.gz NYKPDIYFMDWMLX-IBGZPJMESA-N -1 3 355.434 3.416 20 0 FGADHM 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CCN(CC)S(=O)(=O)c1ccc2[nH]c(-c3cc([O-])cc(F)c3)nc2c1 ZINC000184582841 496449527 /nfs/dbraw/zinc/44/95/27/496449527.db2.gz ZNJDNZPZWWWAOX-UHFFFAOYSA-N -1 3 363.414 3.105 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3ccc4c(c3)CCC(=O)N4)c[n-]c12 ZINC000163036976 496455245 /nfs/dbraw/zinc/45/52/45/496455245.db2.gz UOVYFOFDXTYVMN-UHFFFAOYSA-N -1 3 365.364 3.113 20 0 FGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000153437359 496456002 /nfs/dbraw/zinc/45/60/02/496456002.db2.gz MWLSOOSRZLRPBM-HNNXBMFYSA-N -1 3 357.429 3.322 20 0 FGADHM CN(CC(=O)Nc1cccc(Cl)c1)C(=O)Cc1ccc([O-])cc1Cl ZINC000163068291 496459363 /nfs/dbraw/zinc/45/93/63/496459363.db2.gz IETKOILDDGIHMG-UHFFFAOYSA-N -1 3 367.232 3.339 20 0 FGADHM C[C@@]([N-]C(=O)c1c(F)c(F)cc(F)c1F)(C(N)=O)c1cccc(Cl)c1 ZINC000163168194 496475726 /nfs/dbraw/zinc/47/57/26/496475726.db2.gz DCBWEMCPHLQEEB-INIZCTEOSA-N -1 3 374.721 3.027 20 0 FGADHM O=C(Nc1ccc(OC2CCCC2)c(F)c1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000172890152 496478717 /nfs/dbraw/zinc/47/87/17/496478717.db2.gz XTYTVVVHMCQJCW-UHFFFAOYSA-N -1 3 368.364 3.283 20 0 FGADHM CCc1cc(=O)[n-]c(CNC(C)(C)COc2ncccc2C(F)(F)F)n1 ZINC000181657716 496490737 /nfs/dbraw/zinc/49/07/37/496490737.db2.gz JHKCBCBHWCEDPA-UHFFFAOYSA-N -1 3 370.375 3.106 20 0 FGADHM COc1ccncc1NC(=O)c1c[n-]nc1-c1cccc(OC(F)F)c1 ZINC000172936771 496495461 /nfs/dbraw/zinc/49/54/61/496495461.db2.gz TWVMUEGIZGZNAF-UHFFFAOYSA-N -1 3 360.320 3.334 20 0 FGADHM COc1ccncc1NC(=O)c1cn[n-]c1-c1cccc(OC(F)F)c1 ZINC000172936771 496495466 /nfs/dbraw/zinc/49/54/66/496495466.db2.gz TWVMUEGIZGZNAF-UHFFFAOYSA-N -1 3 360.320 3.334 20 0 FGADHM COc1cc(C(=O)NCCCN2CCc3ccccc3C2)cc(Cl)c1[O-] ZINC000153557437 496496721 /nfs/dbraw/zinc/49/67/21/496496721.db2.gz SATHLXYEAKZPIP-UHFFFAOYSA-N -1 3 374.868 3.232 20 0 FGADHM COC(=O)c1cnc(SCC(=O)N(Cc2ccco2)c2ccccc2)[n-]1 ZINC000187593986 496502479 /nfs/dbraw/zinc/50/24/79/496502479.db2.gz CLZVRUDVHQZNEG-UHFFFAOYSA-N -1 3 371.418 3.115 20 0 FGADHM Cc1cccc(CS(=O)(=O)[N-][C@@H](C)c2nc(Cc3ccccc3)no2)c1 ZINC000175706012 496508304 /nfs/dbraw/zinc/50/83/04/496508304.db2.gz PFHZGFAXTYGQCX-HNNXBMFYSA-N -1 3 371.462 3.149 20 0 FGADHM COc1ccc([O-])c(C(=O)N2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)c1 ZINC000157594733 496512263 /nfs/dbraw/zinc/51/22/63/496512263.db2.gz IOXWMRGDDAXVCM-DNVCBOLYSA-N -1 3 359.397 3.268 20 0 FGADHM O=S(=O)([N-]Cc1nccn1CCCc1ccccc1)c1ccccc1F ZINC000181719163 496516423 /nfs/dbraw/zinc/51/64/23/496516423.db2.gz NEVRYZBQKUKHDD-UHFFFAOYSA-N -1 3 373.453 3.134 20 0 FGADHM COc1cc(C(=O)N[C@H]2C[C@@H]2c2c(F)cccc2Cl)cc(OC)c1[O-] ZINC000163456399 496517567 /nfs/dbraw/zinc/51/75/67/496517567.db2.gz PRLYLXNBMWMHPR-GWCFXTLKSA-N -1 3 365.788 3.488 20 0 FGADHM Cc1ccc(CN2CCSCC2)cc1NC(=O)c1cccc2nn[n-]c21 ZINC000187637397 496518250 /nfs/dbraw/zinc/51/82/50/496518250.db2.gz WWWQVMCPJNICHN-UHFFFAOYSA-N -1 3 367.478 3.067 20 0 FGADHM Cc1ccc(CN2CCSCC2)cc1NC(=O)c1cccc2[n-]nnc21 ZINC000187637397 496518252 /nfs/dbraw/zinc/51/82/52/496518252.db2.gz 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Cc1nc(C)c(CCC(=O)Nc2ccc(COC3CCCC3)cc2)c(=O)[n-]1 ZINC000157714159 496536490 /nfs/dbraw/zinc/53/64/90/496536490.db2.gz BPSQPDFEMVNZAQ-UHFFFAOYSA-N -1 3 369.465 3.417 20 0 FGADHM O=C(NCC1(c2cccc(C(F)(F)F)c2)CC1)c1cccc2nn[n-]c21 ZINC000187709859 496542032 /nfs/dbraw/zinc/54/20/32/496542032.db2.gz RUYBIMHVWURFNY-UHFFFAOYSA-N -1 3 360.339 3.438 20 0 FGADHM O=C(NCC1(c2cccc(C(F)(F)F)c2)CC1)c1cccc2[n-]nnc21 ZINC000187709859 496542039 /nfs/dbraw/zinc/54/20/39/496542039.db2.gz RUYBIMHVWURFNY-UHFFFAOYSA-N -1 3 360.339 3.438 20 0 FGADHM O=C(NCC1(c2cccc(C(F)(F)F)c2)CC1)c1cccc2n[n-]nc21 ZINC000187709859 496542045 /nfs/dbraw/zinc/54/20/45/496542045.db2.gz RUYBIMHVWURFNY-UHFFFAOYSA-N -1 3 360.339 3.438 20 0 FGADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](c2ccccc2)C(C)(C)C)c(C)o1 ZINC000175809060 496554259 /nfs/dbraw/zinc/55/42/59/496554259.db2.gz HXKQQOLQQGBYPV-MRXNPFEDSA-N -1 3 364.467 3.013 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)Cc3csc(C(C)(C)C)n3)[n-]c21 ZINC000157785998 496555087 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COc1ccc(CN[C@@]2(C)CCO[C@@H]2C2CC2)c(Br)c1[O-] ZINC000273829669 496923553 /nfs/dbraw/zinc/92/35/53/496923553.db2.gz PQAVLYWAFLDCOU-CVEARBPZSA-N -1 3 356.260 3.211 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)s1)c1nnc2n1CCCCC2 ZINC000264545210 496925517 /nfs/dbraw/zinc/92/55/17/496925517.db2.gz NVIJYZJFJLFBRK-JTQLQIEISA-N -1 3 374.919 3.149 20 0 FGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]Cc3ccncc3C)s2)cs1 ZINC000188840505 496925965 /nfs/dbraw/zinc/92/59/65/496925965.db2.gz BQQNVLVNIGIXLK-UHFFFAOYSA-N -1 3 365.505 3.362 20 0 FGADHM Cc1noc(C)c1C[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000191912616 496930263 /nfs/dbraw/zinc/93/02/63/496930263.db2.gz BKCUXYDMQAQPKJ-UHFFFAOYSA-N -1 3 353.202 3.216 20 0 FGADHM O=C(NCC1(CCOCc2ccccc2)CC1)c1cccc2nn[n-]c21 ZINC000188861711 496930503 /nfs/dbraw/zinc/93/05/03/496930503.db2.gz ABJFZFKPDLMQMF-UHFFFAOYSA-N -1 3 350.422 3.075 20 0 FGADHM O=C(NCC1(CCOCc2ccccc2)CC1)c1cccc2[n-]nnc21 ZINC000188861711 496930510 /nfs/dbraw/zinc/93/05/10/496930510.db2.gz 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O=c1[nH]c(CC(F)(F)F)c([O-])n1-c1ccc(N2CCCC2)c(Cl)c1 ZINC000277994920 496965470 /nfs/dbraw/zinc/96/54/70/496965470.db2.gz FNAQZXWGWKRDNV-LLVKDONJSA-N -1 3 361.751 3.317 20 0 FGADHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N(CC(C)C)C(C)C ZINC000188987921 496969788 /nfs/dbraw/zinc/96/97/88/496969788.db2.gz IHHOSRXQZNISPN-UHFFFAOYSA-N -1 3 354.472 3.065 20 0 FGADHM CCN(CC)C(=O)c1ccccc1NC(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000273980212 496981008 /nfs/dbraw/zinc/98/10/08/496981008.db2.gz ULNZHIBQCHIAEU-UHFFFAOYSA-N -1 3 372.421 3.144 20 0 FGADHM CN(C[C@H]1CCCC[C@H]1O)C(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000189034767 496985573 /nfs/dbraw/zinc/98/55/73/496985573.db2.gz IKBORMBZSQLJKU-UYAOXDASSA-N -1 3 367.445 3.246 20 0 FGADHM O=C([O-])[C@@H]1CN(Cc2cncn2Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000216429676 496989749 /nfs/dbraw/zinc/98/97/49/496989749.db2.gz PBTIKQMLRCMFKO-NHCUHLMSSA-N -1 3 361.445 3.232 20 0 FGADHM O=c1[nH]c(CC(F)(F)F)c([O-])n1-c1ccc2c(c1)OC1(CCCCC1)O2 ZINC000278111071 497008355 /nfs/dbraw/zinc/00/83/55/497008355.db2.gz PVZGYDYZMQFRPB-LLVKDONJSA-N -1 3 370.327 3.495 20 0 FGADHM O=C(NC1CCN(c2ccccn2)CC1)c1cc([O-])ccc1C(F)(F)F ZINC000189105890 497010542 /nfs/dbraw/zinc/01/05/42/497010542.db2.gz SYQUMCSVBAZKFG-UHFFFAOYSA-N -1 3 365.355 3.205 20 0 FGADHM CS[C@@H](C)C[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000192226283 497041429 /nfs/dbraw/zinc/04/14/29/497041429.db2.gz WEKWLMPGPBVABH-ZETCQYMHSA-N -1 3 358.710 3.132 20 0 FGADHM CCCCCc1nnc([N-]C(=O)c2cnn(C)c2Br)s1 ZINC000274212701 497043000 /nfs/dbraw/zinc/04/30/00/497043000.db2.gz NOSMQBPFEPFBPO-UHFFFAOYSA-N -1 3 358.265 3.019 20 0 FGADHM C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000274290669 497061863 /nfs/dbraw/zinc/06/18/63/497061863.db2.gz MMSOTIBSZRKAJC-YWZLYKJASA-N -1 3 361.445 3.191 20 0 FGADHM O=S(=O)(C[C@@H]1CCCO1)[N-]c1ccc(Br)c(Cl)c1 ZINC000227591540 497090843 /nfs/dbraw/zinc/09/08/43/497090843.db2.gz IXSWCHSLLPUJRR-VIFPVBQESA-N -1 3 354.653 3.023 20 0 FGADHM CSC[C@@](C)(O)C[N-]S(=O)(=O)c1c(C)c(Cl)cc(C)c1Cl ZINC000228584220 497094860 /nfs/dbraw/zinc/09/48/60/497094860.db2.gz QVJGNBWURYNUMW-ZDUSSCGKSA-N -1 3 372.339 3.003 20 0 FGADHM C[C@@H](Sc1ncccc1C(=O)Nc1ccccc1[O-])C(=O)N1CCCC1 ZINC000270306373 497097918 /nfs/dbraw/zinc/09/79/18/497097918.db2.gz TYHBVQPSTQBNRO-CYBMUJFWSA-N -1 3 371.462 3.143 20 0 FGADHM O=S(=O)([N-]CCCc1ccccc1)c1ccc(Br)c(F)c1 ZINC000230585395 497105743 /nfs/dbraw/zinc/10/57/43/497105743.db2.gz CHDTZHJKSJXOHW-UHFFFAOYSA-N -1 3 372.259 3.499 20 0 FGADHM Cc1ccc(-c2nc([N-]C(=O)c3cc(C)nc(C(F)(F)F)n3)n[nH]2)cc1 ZINC000189418875 497112092 /nfs/dbraw/zinc/11/20/92/497112092.db2.gz GTWAOMQWIVQJLW-UHFFFAOYSA-N -1 3 362.315 3.150 20 0 FGADHM CC(=O)c1ccc(C(=O)NC(C)(C)CN(C)Cc2ccccc2)cc1[O-] ZINC000578201454 505885531 /nfs/dbraw/zinc/88/55/31/505885531.db2.gz YHIUGYJWASUQPP-UHFFFAOYSA-N -1 3 354.450 3.235 20 0 FGADHM O=C(c1cc(F)cc2[n-]nnc21)N1CCCCC[C@@H]1[C@H]1CCCCC1=O ZINC000278461203 497122640 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COC(=O)c1scc(C)c1S(=O)(=O)[N-]CC(C)(C)c1cccs1 ZINC000189677207 497207319 /nfs/dbraw/zinc/20/73/19/497207319.db2.gz UURDKUQHEWERHI-UHFFFAOYSA-N -1 3 373.521 3.161 20 0 FGADHM Cc1cc(=O)[n-]c([C@H](C)N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)n1 ZINC000192775596 497210861 /nfs/dbraw/zinc/21/08/61/497210861.db2.gz ARMFINRBDCGPBK-RYUDHWBXSA-N -1 3 355.364 3.104 20 0 FGADHM CCc1ccc(C(=O)Nc2ccc(CN3C(=O)CCCC3=O)cc2)c([O-])c1 ZINC000189727633 497223988 /nfs/dbraw/zinc/22/39/88/497223988.db2.gz WWUSABPNKYFVDR-UHFFFAOYSA-N -1 3 366.417 3.246 20 0 FGADHM CC[C@@H](Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1)C(=O)OC ZINC000192827247 497224366 /nfs/dbraw/zinc/22/43/66/497224366.db2.gz NGRZSOHNDWMKAC-QGZVFWFLSA-N -1 3 362.451 3.159 20 0 FGADHM COc1cc(C(=O)N2C[C@@H](C)OC[C@@H]2c2ccccc2)cc(OC)c1[O-] ZINC000270920903 497226230 /nfs/dbraw/zinc/22/62/30/497226230.db2.gz RTPPNWANHIIFPY-CZUORRHYSA-N -1 3 357.406 3.012 20 0 FGADHM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccsc3Cl)cc2C[C@@H]1C ZINC000189743243 497229791 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FGADHM COC(=O)c1ccc(NC(=O)c2n[n-]c3c2cccc3OC)cc1Cl ZINC000578364240 505923100 /nfs/dbraw/zinc/92/31/00/505923100.db2.gz MSYHNMGVGCKPBX-UHFFFAOYSA-N -1 3 359.769 3.264 20 0 FGADHM COc1cc(CN2C[C@H](C(=O)[O-])C[C@H](C)C2)ccc1OCc1ccncc1 ZINC000263095780 497704419 /nfs/dbraw/zinc/70/44/19/497704419.db2.gz VKAFEVAPVKRPJE-MAUKXSAKSA-N -1 3 370.449 3.212 20 0 FGADHM O=C(C[C@H]1CCCN1C(=O)c1cc(=O)c2ccccc2[n-]1)c1ccco1 ZINC000268231430 497707269 /nfs/dbraw/zinc/70/72/69/497707269.db2.gz OWDFAVPQXPSQMG-CYBMUJFWSA-N -1 3 350.374 3.411 20 0 FGADHM O=S(=O)(Cc1ccc(Cl)c(F)c1)[N-]c1cccc(-c2nnco2)c1 ZINC000194643448 497728028 /nfs/dbraw/zinc/72/80/28/497728028.db2.gz MKPVLRJEBJNLEJ-UHFFFAOYSA-N -1 3 367.789 3.471 20 0 FGADHM CC(=O)c1cccc(S(=O)(=O)[N-]c2cc3c(cc2Cl)CCC3=O)c1 ZINC000191226067 497749811 /nfs/dbraw/zinc/74/98/11/497749811.db2.gz CXCPOTUVIJCIOE-UHFFFAOYSA-N -1 3 363.822 3.472 20 0 FGADHM O=C([O-])[C@H]1C[C@H](C2CCCCC2)CN1Cc1ccn(CC(F)(F)F)n1 ZINC000572257927 505927212 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Cc1cc(C(=O)N[C@@H](C)c2ccc(N3CCCNC3=O)cc2)ccc1[O-] ZINC000292060922 497861680 /nfs/dbraw/zinc/86/16/80/497861680.db2.gz HFDLUVJTYIVROX-AWEZNQCLSA-N -1 3 353.422 3.111 20 0 FGADHM C[C@@H](CNc1c(C(=O)[O-])cnc2ccccc21)N1CCc2sccc2C1 ZINC000575184880 505938231 /nfs/dbraw/zinc/93/82/31/505938231.db2.gz DWQLNPBOQATJFF-ZDUSSCGKSA-N -1 3 367.474 3.275 20 0 FGADHM COc1ccc([O-])c(C(=O)N2CCC(C(=O)Nc3cccc(F)c3)CC2)c1 ZINC000299644883 497878972 /nfs/dbraw/zinc/87/89/72/497878972.db2.gz JBRMZLPKICAIDR-UHFFFAOYSA-N -1 3 372.396 3.031 20 0 FGADHM C[C@H]([N-]S(=O)(=O)C[C@H]1CCCCC1(F)F)c1c(F)cncc1F ZINC000296008991 497890103 /nfs/dbraw/zinc/89/01/03/497890103.db2.gz MKWQHPMHAGWWOJ-VHSXEESVSA-N -1 3 354.369 3.166 20 0 FGADHM Cn1[n-]c(=NC(=O)[C@H]2CC[C@H]2c2ccc(Cl)cc2F)cc1OC(F)F ZINC000575211603 505942982 /nfs/dbraw/zinc/94/29/82/505942982.db2.gz IIPKPQJZOPUABR-ONGXEEELSA-N -1 3 373.762 3.368 20 0 FGADHM CC1(CNC(=O)Cc2ccc([O-])cc2Cl)CN(Cc2ccccc2)C1 ZINC000364332353 497905122 /nfs/dbraw/zinc/90/51/22/497905122.db2.gz ORZZHVZVFYSLNM-UHFFFAOYSA-N -1 3 358.869 3.226 20 0 FGADHM COC(=O)CCCO[N-]C(=O)Nc1ccccc1O[C@@H](C)C(F)(F)F ZINC000288955150 497957756 /nfs/dbraw/zinc/95/77/56/497957756.db2.gz XONWFHFBPRMGDH-JTQLQIEISA-N -1 3 364.320 3.023 20 0 FGADHM Cc1nccn1-c1ccc([C@H](C)NC(=O)N=c2cc3ccccn3[n-]2)cc1 ZINC000572386548 505956370 /nfs/dbraw/zinc/95/63/70/505956370.db2.gz IDOFTIGTNMEDNJ-AWEZNQCLSA-N -1 3 360.421 3.133 20 0 FGADHM O=C([O-])[C@]12CCC[C@H]1CN(CC(=O)Nc1ccc(SC(F)F)cc1)C2 ZINC000280990659 497979206 /nfs/dbraw/zinc/97/92/06/497979206.db2.gz KWEWQLMFUQTVOI-GTNSWQLSSA-N -1 3 370.421 3.127 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(N(C)Cc3ccc4c(c3)OCO4)nc2)n1 ZINC000301188975 497990139 /nfs/dbraw/zinc/99/01/39/497990139.db2.gz UTTFSIBIZBKNRV-UHFFFAOYSA-N -1 3 364.405 3.172 20 0 FGADHM O=C([O-])[C@]12CCC[C@H]1CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C2 ZINC000281026436 497991952 /nfs/dbraw/zinc/99/19/52/497991952.db2.gz OCFCWAKMHNXOLD-QFYYESIMSA-N -1 3 357.237 3.119 20 0 FGADHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]C[C@H](C)c1cccc(C)c1 ZINC000582814105 506432274 /nfs/dbraw/zinc/43/22/74/506432274.db2.gz UAOULEYAYHTLKC-LBPRGKRZSA-N -1 3 365.451 3.073 20 0 FGADHM CC(C)(CO)ON=C([O-])Nc1cccc(COCCc2ccccc2)c1 ZINC000296337127 498004377 /nfs/dbraw/zinc/00/43/77/498004377.db2.gz FMKOJZQBTYKFBR-UHFFFAOYSA-N -1 3 358.438 3.270 20 0 FGADHM CC(C)(CO)O[N-]C(=O)Nc1cccc(COCCc2ccccc2)c1 ZINC000296337127 498004387 /nfs/dbraw/zinc/00/43/87/498004387.db2.gz FMKOJZQBTYKFBR-UHFFFAOYSA-N -1 3 358.438 3.270 20 0 FGADHM O=C([O-])c1cnc2cc3c(cc2c1N1CCC[C@]2(CCCOC2)C1)OCO3 ZINC000569579588 505969559 /nfs/dbraw/zinc/96/95/59/505969559.db2.gz OGSRMAWXSMQVQT-FQEVSTJZSA-N -1 3 370.405 3.059 20 0 FGADHM O=S(=O)([N-][C@@H]1CCOC2(CCC2)C1)c1cc(C(F)(F)F)ccc1F ZINC000330177203 498050023 /nfs/dbraw/zinc/05/00/23/498050023.db2.gz KMWFFOSSPFOAFW-LLVKDONJSA-N -1 3 367.364 3.225 20 0 FGADHM O=C(c1ccc(C(=O)N2CCO[C@@H]3CCC[C@@H]32)cc1)c1cccc([O-])c1 ZINC000364643042 498065544 /nfs/dbraw/zinc/06/55/44/498065544.db2.gz DLCQXRJAZUYBIG-RBUKOAKNSA-N -1 3 351.402 3.017 20 0 FGADHM O=S(=O)([N-]CCCOCC(F)(F)F)c1ccc(Cl)cc1Cl ZINC000575431764 505975597 /nfs/dbraw/zinc/97/55/97/505975597.db2.gz MEOBRHJAIZAQHU-UHFFFAOYSA-N -1 3 366.188 3.241 20 0 FGADHM O=c1cc(-c2noc(-c3cc4c(nc3[O-])CCCC4=O)n2)c2ccccc2[nH]1 ZINC000350403392 498094244 /nfs/dbraw/zinc/09/42/44/498094244.db2.gz CQCXSWBNMZYZFC-UHFFFAOYSA-N -1 3 374.356 3.277 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@H](C)CC3(C)OCCO3)nc2)n1 ZINC000301413130 498099982 /nfs/dbraw/zinc/09/99/82/498099982.db2.gz CPHGUPMXXSAIMA-CYBMUJFWSA-N -1 3 358.442 3.008 20 0 FGADHM CSCCON=C([O-])Nc1ccc2c(c1)CCN2C(=O)OC(C)(C)C ZINC000281319873 498103007 /nfs/dbraw/zinc/10/30/07/498103007.db2.gz IXLOUCHGGOMUKG-UHFFFAOYSA-N -1 3 367.471 3.400 20 0 FGADHM CSCCO[N-]C(=O)Nc1ccc2c(c1)CCN2C(=O)OC(C)(C)C ZINC000281319873 498103015 /nfs/dbraw/zinc/10/30/15/498103015.db2.gz IXLOUCHGGOMUKG-UHFFFAOYSA-N -1 3 367.471 3.400 20 0 FGADHM Cc1c([O-])ccc2c(CN3CCCC[C@@H]3c3ccnn3C)cc(=O)oc12 ZINC000281332242 498108519 /nfs/dbraw/zinc/10/85/19/498108519.db2.gz JMKHXXHJQDVGNU-QGZVFWFLSA-N -1 3 353.422 3.268 20 0 FGADHM Cc1nc(C)c(Cc2nc(-c3ccc(OC(C)(C)C)cn3)no2)c(=O)[n-]1 ZINC000350547755 498114491 /nfs/dbraw/zinc/11/44/91/498114491.db2.gz ZPPCEKROHSDFBB-UHFFFAOYSA-N -1 3 355.398 3.012 20 0 FGADHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]Cc1cccc2ccccc21 ZINC000572444766 505970639 /nfs/dbraw/zinc/97/06/39/505970639.db2.gz DRPIIGTTWSYJOP-UHFFFAOYSA-N -1 3 373.430 3.315 20 0 FGADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@@H]1CCC[C@@H]1C ZINC000330405199 498126410 /nfs/dbraw/zinc/12/64/10/498126410.db2.gz WCXSJLZPGMZKRD-GZMMTYOYSA-N -1 3 366.252 3.064 20 0 FGADHM CC(C)C(=O)N1CCCC[C@H]1C(=O)Nc1cc(Br)ccc1[O-] ZINC000330485383 498140741 /nfs/dbraw/zinc/14/07/41/498140741.db2.gz AIKXNGWKUSLCAS-ZDUSSCGKSA-N -1 3 369.259 3.130 20 0 FGADHM O=S(=O)([N-]c1ccccc1F)c1c[nH]c(-c2nc(-c3ccoc3)no2)c1 ZINC000350844155 498142970 /nfs/dbraw/zinc/14/29/70/498142970.db2.gz VXXGVDIMMIWVFJ-UHFFFAOYSA-N -1 3 374.353 3.265 20 0 FGADHM O=C([N-]C[C@H]1CCCN(Cc2coc(-c3ccccc3)n2)C1)C(F)(F)F ZINC000289431126 498143830 /nfs/dbraw/zinc/14/38/30/498143830.db2.gz JCKLHMRXVKKPCH-CYBMUJFWSA-N -1 3 367.371 3.232 20 0 FGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1Cc1nc(-c2ccc(Cl)o2)no1 ZINC000350907584 498150162 /nfs/dbraw/zinc/15/01/62/498150162.db2.gz HCJJOMHXXKWWFR-UHFFFAOYSA-N -1 3 369.768 3.028 20 0 FGADHM CC(C)c1cc(C(=O)N(C)C[C@@H]2CCS(=O)(=O)C2)c([O-])c(C(C)C)c1 ZINC000330607853 498158557 /nfs/dbraw/zinc/15/85/57/498158557.db2.gz PUJAUXMUSGLQNR-AWEZNQCLSA-N -1 3 367.511 3.146 20 0 FGADHM CC(C)c1cc(C(=O)N(C)C[C@H]2CCS(=O)(=O)C2)c([O-])c(C(C)C)c1 ZINC000330607854 498158944 /nfs/dbraw/zinc/15/89/44/498158944.db2.gz PUJAUXMUSGLQNR-CQSZACIVSA-N -1 3 367.511 3.146 20 0 FGADHM CC(C)[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)CCO1 ZINC000330620826 498161029 /nfs/dbraw/zinc/16/10/29/498161029.db2.gz ARNUVKBHCMZPKF-YPMHNXCESA-N -1 3 369.380 3.326 20 0 FGADHM CC(C)[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccccc2C(F)(F)F)CCO1 ZINC000330621191 498161279 /nfs/dbraw/zinc/16/12/79/498161279.db2.gz BDQFWVVFSWSFJT-WCQYABFASA-N -1 3 351.390 3.187 20 0 FGADHM O=C(Nc1ccccc1[O-])C1CCN(Cc2csc(Cl)n2)CC1 ZINC000296703398 498161762 /nfs/dbraw/zinc/16/17/62/498161762.db2.gz FKSSQMHZTGBTAR-UHFFFAOYSA-N -1 3 351.859 3.353 20 0 FGADHM CC(C)c1nnc(CN2CCC(C(=O)Nc3ccccc3[O-])CC2)s1 ZINC000296719285 498169039 /nfs/dbraw/zinc/16/90/39/498169039.db2.gz HJDUKXUIVLOPKS-UHFFFAOYSA-N -1 3 360.483 3.218 20 0 FGADHM CC(C)(C)C(=O)Nc1ccc(C(=O)N2CCCc3cccc([O-])c32)cn1 ZINC000296734320 498174891 /nfs/dbraw/zinc/17/48/91/498174891.db2.gz IZKOBJDQXPNTNY-UHFFFAOYSA-N -1 3 353.422 3.365 20 0 FGADHM C[C@@H](CON=C([O-])Nc1ccc2cnccc2c1)NC(=O)OC(C)(C)C ZINC000296740483 498177662 /nfs/dbraw/zinc/17/76/62/498177662.db2.gz AXKLOINOOVYOHY-LBPRGKRZSA-N -1 3 360.414 3.201 20 0 FGADHM C[C@@H](CO[N-]C(=O)Nc1ccc2cnccc2c1)NC(=O)OC(C)(C)C ZINC000296740483 498177668 /nfs/dbraw/zinc/17/76/68/498177668.db2.gz AXKLOINOOVYOHY-LBPRGKRZSA-N -1 3 360.414 3.201 20 0 FGADHM CCOc1ccc([C@@H](O)C2CCN(C(=O)c3cccc([O-])c3)CC2)cc1 ZINC000292880507 498180765 /nfs/dbraw/zinc/18/07/65/498180765.db2.gz PQUPRFGIDGAPEN-HXUWFJFHSA-N -1 3 355.434 3.377 20 0 FGADHM NC(=O)C1CCC([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)CC1 ZINC000330747829 498186430 /nfs/dbraw/zinc/18/64/30/498186430.db2.gz GQBFAOJFWXSWKE-UHFFFAOYSA-N -1 3 368.352 3.217 20 0 FGADHM CCCS(=O)(=O)[N-]c1ccc(-c2nc(-c3c(C)noc3C)no2)cc1 ZINC000351176571 498190437 /nfs/dbraw/zinc/19/04/37/498190437.db2.gz UKMOHIWAKTVJPO-UHFFFAOYSA-N -1 3 362.411 3.160 20 0 FGADHM COCc1ccc([C@H]2CCCN2C(=O)c2cc(OC)c([O-])c(OC)c2)o1 ZINC000364889805 498193494 /nfs/dbraw/zinc/19/34/94/498193494.db2.gz VTCQQSXAUVNTSK-CQSZACIVSA-N -1 3 361.394 3.126 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(N3CC[C@H](C)[C@@H](n4ccnc4)C3)nc2)n1 ZINC000301627799 498195551 /nfs/dbraw/zinc/19/55/51/498195551.db2.gz HLYCMLCMJCYGCP-YOEHRIQHSA-N -1 3 364.453 3.091 20 0 FGADHM Cc1cc(C)cc([C@@H]2CCN(C(=O)c3ccc([N-]S(C)(=O)=O)cc3)C2)c1 ZINC000330820952 498199944 /nfs/dbraw/zinc/19/99/44/498199944.db2.gz NFTINXXMXFTJGY-QGZVFWFLSA-N -1 3 372.490 3.305 20 0 FGADHM C[C@H](C1CCN(C)CC1)N(C)C(=O)c1cc(Br)c(F)cc1[O-] ZINC000296797759 498201332 /nfs/dbraw/zinc/20/13/32/498201332.db2.gz OUBAZPAISLTFDE-SNVBAGLBSA-N -1 3 373.266 3.096 20 0 FGADHM Cn1cc([C@@H]2CN(C(=O)c3cc([O-])ccc3C(F)(F)F)CC2(C)C)cn1 ZINC000575760184 505997913 /nfs/dbraw/zinc/99/79/13/505997913.db2.gz HSAMWRBJSAHITA-HNNXBMFYSA-N -1 3 367.371 3.410 20 0 FGADHM C[C@@H]1CCN(C(=O)Cc2nnc(-c3ccccc3)n2C)c2c([O-])cccc21 ZINC000575760640 505998075 /nfs/dbraw/zinc/99/80/75/505998075.db2.gz UOVOFVMRZXFKSM-CQSZACIVSA-N -1 3 362.433 3.271 20 0 FGADHM CCC(=O)c1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCO[C@@H](C3CC3)C2)c1 ZINC000281620072 498216153 /nfs/dbraw/zinc/21/61/53/498216153.db2.gz ZVCGRIDANHWNCY-XJKSGUPXSA-N -1 3 371.886 3.169 20 0 FGADHM C[C@@H](CNC(=O)c1cc([O-])ccc1Cl)N1CCc2sccc2C1 ZINC000289622673 498220893 /nfs/dbraw/zinc/22/08/93/498220893.db2.gz RMJMOMKYPJIRSS-NSHDSACASA-N -1 3 350.871 3.284 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)[C@H]1CCOC1 ZINC000285861626 498222693 /nfs/dbraw/zinc/22/26/93/498222693.db2.gz DLHFTZMNQNYEOP-IUCAKERBSA-N -1 3 357.781 3.062 20 0 FGADHM Cc1ccc([C@@H]2CCN(C(=O)c3ccc([N-]S(C)(=O)=O)cc3)C2)c(C)c1 ZINC000331027472 498239247 /nfs/dbraw/zinc/23/92/47/498239247.db2.gz WBDZILPTHUUVLZ-QGZVFWFLSA-N -1 3 372.490 3.305 20 0 FGADHM [O-]c1ccccc1-c1nc(CSc2nnnn2C2CCCCC2)no1 ZINC000360078369 498243712 /nfs/dbraw/zinc/24/37/12/498243712.db2.gz HRICXKYEPJUAMT-UHFFFAOYSA-N -1 3 358.427 3.226 20 0 FGADHM CC[C@H](NC(=O)CCc1ccc2ccccc2c1[O-])[C@@H](O)C(F)(F)F ZINC000296976781 498273853 /nfs/dbraw/zinc/27/38/53/498273853.db2.gz DLDGQJLTGVLFTG-WMLDXEAASA-N -1 3 355.356 3.296 20 0 FGADHM COCC1(c2noc(-c3cc([O-])ccc3C(F)(F)F)n2)CCOCC1 ZINC000293126833 498277931 /nfs/dbraw/zinc/27/79/31/498277931.db2.gz IMDIVPLTZSLZOP-UHFFFAOYSA-N -1 3 358.316 3.156 20 0 FGADHM C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000331228014 498279619 /nfs/dbraw/zinc/27/96/19/498279619.db2.gz GEHPNBXDXFYSCW-KDOFPFPSSA-N -1 3 358.463 3.076 20 0 FGADHM CC1(C)Cc2ccc(C(=O)N3C[C@H](O)C[C@@H]3c3ccccc3)c([O-])c2O1 ZINC000581535754 506010436 /nfs/dbraw/zinc/01/04/36/506010436.db2.gz VANKVTOIGPGESH-NVXWUHKLSA-N -1 3 353.418 3.054 20 0 FGADHM O=S(=O)([N-][C@H]1CCCC12CCOCC2)c1ccc(Cl)nc1Cl ZINC000281873116 498299805 /nfs/dbraw/zinc/29/98/05/498299805.db2.gz CSPVBBYKMNQYCK-NSHDSACASA-N -1 3 365.282 3.016 20 0 FGADHM C[C@H](NC(=O)c1c[n-]nc1-c1ccccn1)c1ccccc1-n1cccn1 ZINC000569772428 506012375 /nfs/dbraw/zinc/01/23/75/506012375.db2.gz ADXFYIARTDLNNU-AWEZNQCLSA-N -1 3 358.405 3.148 20 0 FGADHM COC(=O)c1sc([N-]C(=O)c2oc(COC(C)(C)C)nc2C)nc1C ZINC000578753123 506012574 /nfs/dbraw/zinc/01/25/74/506012574.db2.gz JEJDNRDXAZHJST-UHFFFAOYSA-N -1 3 367.427 3.102 20 0 FGADHM CSc1ccccc1[C@@H](C)[N-]S(=O)(=O)c1c(C)nn(C)c1Cl ZINC000281882335 498304032 /nfs/dbraw/zinc/30/40/32/498304032.db2.gz DGEOHZYKNBFDJD-SECBINFHSA-N -1 3 359.904 3.143 20 0 FGADHM Cc1ccc(C)c([C@@H]2CN(C(=O)c3cc(=O)[n-]c(C4CC4)n3)[C@H](C)CO2)c1 ZINC000581557166 506015236 /nfs/dbraw/zinc/01/52/36/506015236.db2.gz CYXGGGWUAQAVKE-KDOFPFPSSA-N -1 3 367.449 3.279 20 0 FGADHM Cc1cc(SC2CCCCC2)ccc1NC(=O)C(=O)[N-]c1ncnn1C ZINC000297093467 498320739 /nfs/dbraw/zinc/32/07/39/498320739.db2.gz VMIFXJWZVAMONM-UHFFFAOYSA-N -1 3 373.482 3.126 20 0 FGADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000289859788 498326227 /nfs/dbraw/zinc/32/62/27/498326227.db2.gz QXVRUXYEEBYGCU-CQSZACIVSA-N -1 3 370.331 3.471 20 0 FGADHM O=C([N-]O[C@@H]1CCCCO1)Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000289859788 498326234 /nfs/dbraw/zinc/32/62/34/498326234.db2.gz QXVRUXYEEBYGCU-CQSZACIVSA-N -1 3 370.331 3.471 20 0 FGADHM C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)NCc2nnc(C(F)(F)F)[n-]2)C1 ZINC000331453169 498336585 /nfs/dbraw/zinc/33/65/85/498336585.db2.gz FDRQFXUYKNFRGO-CABZTGNLSA-N -1 3 371.338 3.255 20 0 FGADHM C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)NCc2n[n-]c(C(F)(F)F)n2)C1 ZINC000331453169 498336593 /nfs/dbraw/zinc/33/65/93/498336593.db2.gz FDRQFXUYKNFRGO-CABZTGNLSA-N -1 3 371.338 3.255 20 0 FGADHM C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)NCc2nc(C(F)(F)F)n[n-]2)C1 ZINC000331453169 498336601 /nfs/dbraw/zinc/33/66/01/498336601.db2.gz FDRQFXUYKNFRGO-CABZTGNLSA-N -1 3 371.338 3.255 20 0 FGADHM CN1C(=O)C[C@@H]([N-]c2nnc(C(F)F)o2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000293306951 498339214 /nfs/dbraw/zinc/33/92/14/498339214.db2.gz ZASYXKBYBVGDEG-MWLCHTKSSA-N -1 3 360.723 3.184 20 0 FGADHM Cc1ccccc1[C@@H]1CCCN1C(=O)N=c1cc(OC(F)F)n(C)[n-]1 ZINC000331486479 498347627 /nfs/dbraw/zinc/34/76/27/498347627.db2.gz FSDAJPLPNPMXCB-ZDUSSCGKSA-N -1 3 350.369 3.121 20 0 FGADHM Cc1ccc([C@H]2CCCCN2C(=O)NCc2nnc(C(F)(F)F)[n-]2)o1 ZINC000331520782 498358157 /nfs/dbraw/zinc/35/81/57/498358157.db2.gz VSQACLLZOGFRPP-SNVBAGLBSA-N -1 3 357.336 3.162 20 0 FGADHM Cc1ccc([C@H]2CCCCN2C(=O)NCc2n[n-]c(C(F)(F)F)n2)o1 ZINC000331520782 498358163 /nfs/dbraw/zinc/35/81/63/498358163.db2.gz VSQACLLZOGFRPP-SNVBAGLBSA-N -1 3 357.336 3.162 20 0 FGADHM Cc1ccc([C@H]2CCCCN2C(=O)NCc2nc(C(F)(F)F)n[n-]2)o1 ZINC000331520782 498358167 /nfs/dbraw/zinc/35/81/67/498358167.db2.gz VSQACLLZOGFRPP-SNVBAGLBSA-N -1 3 357.336 3.162 20 0 FGADHM O=C(c1c[n-]c2ccccc2c1=O)N1CCC[C@H](COc2ccccc2)C1 ZINC000361415449 498388824 /nfs/dbraw/zinc/38/88/24/498388824.db2.gz BGHVVIQGXNRVHK-INIZCTEOSA-N -1 3 362.429 3.459 20 0 FGADHM C[C@@H]1CN(C(=O)c2cc(=O)c3ccccc3[n-]2)C[C@@H](c2ccc(F)cc2)O1 ZINC000361488854 498398859 /nfs/dbraw/zinc/39/88/59/498398859.db2.gz ABIZEAWMLMBZQE-XCLFUZPHSA-N -1 3 366.392 3.269 20 0 FGADHM O=S(=O)([N-]CCCc1nccs1)c1ccc(F)cc1C(F)(F)F ZINC000290104056 498430443 /nfs/dbraw/zinc/43/04/43/498430443.db2.gz IXXGBZZXGLHNCI-UHFFFAOYSA-N -1 3 368.377 3.212 20 0 FGADHM O=C([N-]c1cnns1)C(=O)N[C@@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000290184583 498456070 /nfs/dbraw/zinc/45/60/70/498456070.db2.gz ZMISBPFUNVAJOD-GFCCVEGCSA-N -1 3 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/nfs/dbraw/zinc/04/71/44/506047144.db2.gz XJHGZYRQDMHTLL-UHFFFAOYSA-N -1 3 367.854 3.409 20 0 FGADHM COCCCO[N-]C(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1 ZINC000286842168 498524879 /nfs/dbraw/zinc/52/48/79/498524879.db2.gz ABLMEKBJNXTRHP-UHFFFAOYSA-N -1 3 367.789 3.275 20 0 FGADHM CC(C)(O)CON=C([O-])Nc1ccc(OC(F)F)c(C(F)(F)F)c1 ZINC000286845473 498526607 /nfs/dbraw/zinc/52/66/07/498526607.db2.gz UWUPZRNHXSNBCJ-UHFFFAOYSA-N -1 3 358.263 3.131 20 0 FGADHM CC(C)(O)CO[N-]C(=O)Nc1ccc(OC(F)F)c(C(F)(F)F)c1 ZINC000286845473 498526615 /nfs/dbraw/zinc/52/66/15/498526615.db2.gz UWUPZRNHXSNBCJ-UHFFFAOYSA-N -1 3 358.263 3.131 20 0 FGADHM O=C(c1cc([O-])ccc1Cl)N1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000365604856 498554087 /nfs/dbraw/zinc/55/40/87/498554087.db2.gz XOVBOCUURQWZCQ-UHFFFAOYSA-N -1 3 363.816 3.395 20 0 FGADHM O=C([N-]c1nnc(C2CCOCC2)s1)c1cc(F)cc2cccnc21 ZINC000294072333 498580240 /nfs/dbraw/zinc/58/02/40/498580240.db2.gz HYJHKZXSGVVVOG-UHFFFAOYSA-N -1 3 358.398 3.372 20 0 FGADHM C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2cc([O-])ccc2Cl)C1 ZINC000290558579 498596873 /nfs/dbraw/zinc/59/68/73/498596873.db2.gz WXPHOTUXDNSLQP-RYUDHWBXSA-N -1 3 368.861 3.421 20 0 FGADHM COc1cc(F)c(CNC[C@@H](Cc2ccccc2C)C(=O)[O-])cc1OC ZINC000569976954 506060469 /nfs/dbraw/zinc/06/04/69/506060469.db2.gz CPIDJGNUUVOFRY-MRXNPFEDSA-N -1 3 361.413 3.184 20 0 FGADHM O=C(Cc1ccc([O-])cc1Cl)N1CCC(Oc2ncccc2F)CC1 ZINC000365712834 498609952 /nfs/dbraw/zinc/60/99/52/498609952.db2.gz PDZMCHKGNFDHTD-UHFFFAOYSA-N -1 3 364.804 3.192 20 0 FGADHM Cc1ccc(C(=O)N2CC[C@](CO)(Cc3ccc(F)cc3)C2)c([O-])c1C ZINC000290596147 498612738 /nfs/dbraw/zinc/61/27/38/498612738.db2.gz KKPQUQZINWEDSV-NRFANRHFSA-N -1 3 357.425 3.215 20 0 FGADHM Cc1nc(C)c(CCC(=O)N2CCC(=Cc3ccccc3)CC2)c(=O)[n-]1 ZINC000365770094 498633494 /nfs/dbraw/zinc/63/34/94/498633494.db2.gz ATNSGNZCDFUIHG-UHFFFAOYSA-N -1 3 351.450 3.438 20 0 FGADHM CC1(CNC(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)CCCCCC1 ZINC000332307518 498643167 /nfs/dbraw/zinc/64/31/67/498643167.db2.gz LXADRQMWQSIVNB-UHFFFAOYSA-N -1 3 356.463 3.288 20 0 FGADHM Cc1ccc(NCc2c(F)ccc([O-])c2F)cc1N1CCCS1(=O)=O ZINC000294288354 498645078 /nfs/dbraw/zinc/64/50/78/498645078.db2.gz PIQWJZACKYHPNL-UHFFFAOYSA-N -1 3 368.405 3.131 20 0 FGADHM C[C@H](NC(=O)c1cc(Cc2ccccc2)ccc1[O-])C(=O)NC(C)(C)C ZINC000303150686 498651741 /nfs/dbraw/zinc/65/17/41/498651741.db2.gz RKZPFNNUJACMCW-AWEZNQCLSA-N -1 3 354.450 3.016 20 0 FGADHM CCOC(=O)[C@@H]1CCCc2sc([N-]C(=O)c3cc(C4CC4)no3)nc21 ZINC000294337793 498662536 /nfs/dbraw/zinc/66/25/36/498662536.db2.gz WUHYMEVDWXYDAO-SNVBAGLBSA-N -1 3 361.423 3.244 20 0 FGADHM C[C@@H]1C[C@@H](c2ccccc2)CCN1C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000332370427 498665911 /nfs/dbraw/zinc/66/59/11/498665911.db2.gz AQCIIIJPWUKMCN-QAPCUYQASA-N -1 3 372.490 3.466 20 0 FGADHM C[C@@H]1CCc2ccccc2[C@H]1NC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000332404553 498678454 /nfs/dbraw/zinc/67/84/54/498678454.db2.gz ZGLOREWIYAXKCU-ACJLOTCBSA-N -1 3 358.463 3.112 20 0 FGADHM CCC1(CC)CCC(NC(=O)c2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)CC1 ZINC000332421914 498682494 /nfs/dbraw/zinc/68/24/94/498682494.db2.gz WXHCOIAKUOKLHW-FQEVSTJZSA-N -1 3 371.481 3.220 20 0 FGADHM Cc1ncsc1CCC(=O)NCc1ccc([O-])c(Br)c1 ZINC000298210649 498695642 /nfs/dbraw/zinc/69/56/42/498695642.db2.gz WNSFVTMKJLKYNX-UHFFFAOYSA-N -1 3 355.257 3.169 20 0 FGADHM CS(=O)(=O)[N-]c1ccc(C(=O)N2CCC(c3ccsc3)CC2)cc1 ZINC000332472869 498697535 /nfs/dbraw/zinc/69/75/35/498697535.db2.gz UBXZEFPULZODNC-UHFFFAOYSA-N -1 3 364.492 3.139 20 0 FGADHM CC(=O)c1ccc(C(=O)N2CCC(c3noc(C(C)C)n3)CC2)cc1[O-] ZINC000332488414 498701974 /nfs/dbraw/zinc/70/19/74/498701974.db2.gz YQCBVTXXYOKTES-UHFFFAOYSA-N -1 3 357.410 3.121 20 0 FGADHM COc1nc(C(=O)[N-]c2nnc(C3CCOCC3)s2)cc2ccccc21 ZINC000294487200 498706430 /nfs/dbraw/zinc/70/64/30/498706430.db2.gz XJFOAVBAEKRMRT-UHFFFAOYSA-N -1 3 370.434 3.241 20 0 FGADHM Cc1cccc(C(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)c1C ZINC000332541180 498719357 /nfs/dbraw/zinc/71/93/57/498719357.db2.gz KWEMAZVQTFXWCR-UHFFFAOYSA-N -1 3 352.434 3.044 20 0 FGADHM COc1ccc2c(c1)C=C(S(=O)(=O)[N-]c1nc(C(F)(F)F)c[nH]1)CC2 ZINC000290934084 498727747 /nfs/dbraw/zinc/72/77/47/498727747.db2.gz KHICMBQMDQYQKJ-UHFFFAOYSA-N -1 3 373.356 3.166 20 0 FGADHM CCC[C@H](C)CS(=O)(=O)[N-][C@H](C)c1nc(-c2ccccc2OC)no1 ZINC000363264754 498735889 /nfs/dbraw/zinc/73/58/89/498735889.db2.gz RDASQNVUDQOGTR-QWHCGFSZSA-N -1 3 367.471 3.162 20 0 FGADHM COc1cccc(C(=O)N(C)Cc2ccc(OC)c(OC(F)F)c2)c1[O-] ZINC000298360022 498744231 /nfs/dbraw/zinc/74/42/31/498744231.db2.gz PZILDSZSGCSJDD-UHFFFAOYSA-N -1 3 367.348 3.283 20 0 FGADHM COCCCO[N-]C(=O)Nc1ncccc1OCc1cccc(Cl)c1 ZINC000287420185 498748763 /nfs/dbraw/zinc/74/87/63/498748763.db2.gz DQOKATTVDIQNJZ-UHFFFAOYSA-N -1 3 365.817 3.404 20 0 FGADHM COCCCON=C([O-])Nc1ncccc1OCc1cccc(Cl)c1 ZINC000287420185 498748756 /nfs/dbraw/zinc/74/87/56/498748756.db2.gz DQOKATTVDIQNJZ-UHFFFAOYSA-N -1 3 365.817 3.404 20 0 FGADHM O=C(CCc1ccc2ccccc2c1[O-])NCCC(=O)N1CCCCCC1 ZINC000294663430 498765488 /nfs/dbraw/zinc/76/54/88/498765488.db2.gz VORXRJLFWIASRI-UHFFFAOYSA-N -1 3 368.477 3.387 20 0 FGADHM O=C(CCc1ccc2ccccc2c1[O-])NCC1N=NC(=S)N1C1CC1 ZINC000294737802 498788094 /nfs/dbraw/zinc/78/80/94/498788094.db2.gz XVUCFCBFEGPNPM-UHFFFAOYSA-N -1 3 368.462 3.010 20 0 FGADHM O=C(C[C@@H]1CN(Cc2ccccc2)CCO1)Nc1c([O-])cccc1Cl ZINC000570129823 506096505 /nfs/dbraw/zinc/09/65/05/506096505.db2.gz GEURWLRCBKHLRN-OAHLLOKOSA-N -1 3 360.841 3.275 20 0 FGADHM O=S(=O)([N-][C@@H](c1nccs1)c1ccccc1)c1cncc(Cl)c1 ZINC000363446114 498825186 /nfs/dbraw/zinc/82/51/86/498825186.db2.gz GJJZOJOSWFPBNN-CQSZACIVSA-N -1 3 365.867 3.259 20 0 FGADHM CC(C)(C)C[C@H](O)C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000324137751 498825913 /nfs/dbraw/zinc/82/59/13/498825913.db2.gz WXHLYGMUNHGQFU-JTQLQIEISA-N -1 3 373.824 3.434 20 0 FGADHM COC(=O)Cc1ccc(S(=O)(=O)[N-]c2cc(C)c(F)cc2Cl)cc1 ZINC000326510173 498844016 /nfs/dbraw/zinc/84/40/16/498844016.db2.gz KEWLEQGWOFIYFT-UHFFFAOYSA-N -1 3 371.817 3.304 20 0 FGADHM O=C([O-])C[C@@H]1CCCN(CCOc2cc(F)cc(Br)c2)C1 ZINC000579125928 506099789 /nfs/dbraw/zinc/09/97/89/506099789.db2.gz HWQCMBLWOGVERA-NSHDSACASA-N -1 3 360.223 3.154 20 0 FGADHM CC(C)[C@]1(C(=O)[O-])CCN(Cc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC000326772711 498848049 /nfs/dbraw/zinc/84/80/49/498848049.db2.gz RIMMLGGFUQTBNS-SFHVURJKSA-N -1 3 353.846 3.434 20 0 FGADHM CCOC(=O)c1nc(C)[n-]c1NC(=O)c1nc2ccccc2cc1Cl ZINC000576204074 506101665 /nfs/dbraw/zinc/10/16/65/506101665.db2.gz SKFSRUGGZLHIDQ-UHFFFAOYSA-N -1 3 358.785 3.349 20 0 FGADHM CCOC(=O)c1[n-]c(C)nc1NC(=O)c1nc2ccccc2cc1Cl ZINC000576204074 506101669 /nfs/dbraw/zinc/10/16/69/506101669.db2.gz SKFSRUGGZLHIDQ-UHFFFAOYSA-N -1 3 358.785 3.349 20 0 FGADHM CCN=c1[n-]c(C(=O)NC[C@@H](Cc2ccccc2)C(F)(F)F)cs1 ZINC000581975543 506103819 /nfs/dbraw/zinc/10/38/19/506103819.db2.gz JZAQEOBVZFGGSB-GFCCVEGCSA-N -1 3 357.401 3.148 20 0 FGADHM CC1(C)Cc2ccc(C(=O)N3CC[C@]4(C3)OCc3ccccc34)c([O-])c2O1 ZINC000333022669 498873722 /nfs/dbraw/zinc/87/37/22/498873722.db2.gz FNOVSZYVMBRFOJ-JOCHJYFZSA-N -1 3 365.429 3.377 20 0 FGADHM O=C1CC[C@@H](NCc2nc3c4ccccc4oc3c(=O)[n-]2)C2(CCC2)N1 ZINC000328713504 498911454 /nfs/dbraw/zinc/91/14/54/498911454.db2.gz SAIJIHFROHNFIE-CYBMUJFWSA-N -1 3 352.394 3.213 20 0 FGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2ccc(C)s2)cc1OC ZINC000298977608 498930638 /nfs/dbraw/zinc/93/06/38/498930638.db2.gz OSVOCSFANUKKBV-UHFFFAOYSA-N -1 3 354.453 3.079 20 0 FGADHM CCS[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cn3c(n2)CCC[C@@H]3C)C1 ZINC000333240134 498949640 /nfs/dbraw/zinc/94/96/40/498949640.db2.gz ZUFJETMADNWMOC-BFHYXJOUSA-N -1 3 357.545 3.123 20 0 FGADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1cccc2c1CCN(CC(F)(F)F)C2 ZINC000363711667 498955078 /nfs/dbraw/zinc/95/50/78/498955078.db2.gz HWDDSJQXJZABJF-OAHLLOKOSA-N -1 3 373.375 3.187 20 0 FGADHM O=C([N-]O[C@@H]1CCCCO1)Nc1cccc2c1CCN(CC(F)(F)F)C2 ZINC000363711667 498955082 /nfs/dbraw/zinc/95/50/82/498955082.db2.gz HWDDSJQXJZABJF-OAHLLOKOSA-N -1 3 373.375 3.187 20 0 FGADHM O=C(c1ccsc1)N1CCCN(Cc2c(F)ccc([O-])c2F)CC1 ZINC000295266296 498961204 /nfs/dbraw/zinc/96/12/04/498961204.db2.gz HIADFIUYXQBNFT-UHFFFAOYSA-N -1 3 352.406 3.080 20 0 FGADHM Cc1csc([C@@H]2COCCN2C(=O)c2ccc3c(c2[O-])CCCC3)n1 ZINC000333328024 498981173 /nfs/dbraw/zinc/98/11/73/498981173.db2.gz YFPLHDKHHABIGE-INIZCTEOSA-N -1 3 358.463 3.250 20 0 FGADHM Cc1nc([C@H]2CCCOC2)sc1C(=O)[N-]c1nnc(C(F)F)s1 ZINC000366591140 498994049 /nfs/dbraw/zinc/99/40/49/498994049.db2.gz KEVNSZNLZJTZJJ-ZETCQYMHSA-N -1 3 360.411 3.387 20 0 FGADHM CCC(=O)N1CCC[C@H]1[C@H]1CCCN1C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000363792378 498995125 /nfs/dbraw/zinc/99/51/25/498995125.db2.gz FWXLDWNKVDOMTP-RBUKOAKNSA-N -1 3 370.493 3.277 20 0 FGADHM CCOC(=O)c1cc(CC)sc1[N-]C(=O)c1scnc1COC ZINC000283869845 499004210 /nfs/dbraw/zinc/00/42/10/499004210.db2.gz NEIQDDZTULYRHK-UHFFFAOYSA-N -1 3 354.453 3.342 20 0 FGADHM Cc1nc(NC(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)sc1C ZINC000299253994 499006851 /nfs/dbraw/zinc/00/68/51/499006851.db2.gz ILRDHHDWRUWNHQ-UHFFFAOYSA-N -1 3 369.450 3.197 20 0 FGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@@H]1CCC[C@@H](C)C1 ZINC000299260614 499008468 /nfs/dbraw/zinc/00/84/68/499008468.db2.gz QODHHZQFSQCGOI-CZUORRHYSA-N -1 3 354.454 3.180 20 0 FGADHM Cc1nc(-c2cccs2)sc1C(=O)[N-]c1ncn(-c2cccnc2)n1 ZINC000366638108 499013722 /nfs/dbraw/zinc/01/37/22/499013722.db2.gz COXVJJMXUJDAPO-UHFFFAOYSA-N -1 3 368.447 3.408 20 0 FGADHM CCc1cc(C(=O)N2CCC(O)(c3c(F)cccc3F)CC2)ccc1[O-] ZINC000291684172 499034838 /nfs/dbraw/zinc/03/48/38/499034838.db2.gz NFPJDVZWJRIPCJ-UHFFFAOYSA-N -1 3 361.388 3.357 20 0 FGADHM CCOc1cc(C(=O)N2C[C@H](N3CCCC3)C[C@@H]2C)cc(Cl)c1[O-] ZINC000288481330 499036226 /nfs/dbraw/zinc/03/62/26/499036226.db2.gz QYFNQHKYWLYJIC-GXTWGEPZSA-N -1 3 352.862 3.143 20 0 FGADHM O=c1nc(CN2CC[C@H](n3cccn3)C2)[n-]c2scc(-c3ccco3)c21 ZINC000291728289 499050043 /nfs/dbraw/zinc/05/00/43/499050043.db2.gz JLTVCAWGNABDSN-LBPRGKRZSA-N -1 3 367.434 3.300 20 0 FGADHM Cc1cc(C)n(-c2ccccc2CNC(=O)c2c[n-]nc2-c2ccccn2)n1 ZINC000576318912 506129109 /nfs/dbraw/zinc/12/91/09/506129109.db2.gz HZBFZTUBYLAFBC-UHFFFAOYSA-N -1 3 372.432 3.204 20 0 FGADHM Brc1cccc(-c2nnc(-c3noc([C@@H]4CCCO4)n3)[n-]2)c1 ZINC000284141796 499057341 /nfs/dbraw/zinc/05/73/41/499057341.db2.gz YKUMZGFXFHYEGX-JTQLQIEISA-N -1 3 362.187 3.136 20 0 FGADHM Brc1cccc(-c2n[n-]c(-c3noc([C@@H]4CCCO4)n3)n2)c1 ZINC000284141796 499057343 /nfs/dbraw/zinc/05/73/43/499057343.db2.gz YKUMZGFXFHYEGX-JTQLQIEISA-N -1 3 362.187 3.136 20 0 FGADHM Brc1cccc(-c2nc(-c3noc([C@@H]4CCCO4)n3)n[n-]2)c1 ZINC000284141796 499057347 /nfs/dbraw/zinc/05/73/47/499057347.db2.gz YKUMZGFXFHYEGX-JTQLQIEISA-N -1 3 362.187 3.136 20 0 FGADHM COC[C@]1(C)CCN(C(=O)c2cc(OCc3ccccc3)ccc2[O-])C1 ZINC000295614380 499063335 /nfs/dbraw/zinc/06/33/35/499063335.db2.gz YCZGDRFIORQPNG-OAQYLSRUSA-N -1 3 355.434 3.470 20 0 FGADHM O=S(=O)([N-][C@H]1CCOC2(CCC2)C1)c1ccc(C(F)(F)F)s1 ZINC000291796042 499070531 /nfs/dbraw/zinc/07/05/31/499070531.db2.gz YFEWRVUGQNBZGB-VIFPVBQESA-N -1 3 355.403 3.147 20 0 FGADHM Cc1[nH]c2c(cc(C)cc2CNC(=O)CCc2c(C)nc(C)[n-]c2=O)c1C ZINC000299482112 499072353 /nfs/dbraw/zinc/07/23/53/499072353.db2.gz GEYRQABRDCWCOO-UHFFFAOYSA-N -1 3 366.465 3.455 20 0 FGADHM CCc1cc(C(=O)Nc2cc(C(C)C)nn2-c2ncccn2)ccc1[O-] ZINC000291897002 499096666 /nfs/dbraw/zinc/09/66/66/499096666.db2.gz JSZJRRZJCKIVBF-UHFFFAOYSA-N -1 3 351.410 3.306 20 0 FGADHM O=C(c1cc(F)cc2[n-]nnc21)N1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000333935347 499101092 /nfs/dbraw/zinc/10/10/92/499101092.db2.gz JKEPPMTVKZXIRG-GOSISDBHSA-N -1 3 366.396 3.091 20 0 FGADHM O=C(c1cc(F)cc2nn[n-]c21)N1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000333935347 499101097 /nfs/dbraw/zinc/10/10/97/499101097.db2.gz JKEPPMTVKZXIRG-GOSISDBHSA-N -1 3 366.396 3.091 20 0 FGADHM O=C(c1cc(F)cc2n[n-]nc21)N1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000333935347 499101101 /nfs/dbraw/zinc/10/11/01/499101101.db2.gz JKEPPMTVKZXIRG-GOSISDBHSA-N -1 3 366.396 3.091 20 0 FGADHM C[C@@]1(C[C@@H]2CCCN2C(=O)[C@@]2(C)CCc3ccccc3C2)NC(=O)[N-]C1=O ZINC000329362282 499108851 /nfs/dbraw/zinc/10/88/51/499108851.db2.gz HHBVABMERRATTK-NDXORKPFSA-N -1 3 369.465 3.206 20 0 FGADHM C[C@]1(C[C@@H]2CCCN2C(=O)[C@@H]2CCSc3ccccc32)NC(=O)[N-]C1=O ZINC000329408598 499116453 /nfs/dbraw/zinc/11/64/53/499116453.db2.gz XPAPJJWNTXTBSZ-BBEJJTJUSA-N -1 3 373.478 3.290 20 0 FGADHM Cc1ccc([C@H](CNc2cc(C(C)(C)C)nc(C(=O)[O-])n2)N2CCCC2)o1 ZINC000570283612 506132591 /nfs/dbraw/zinc/13/25/91/506132591.db2.gz YZYXZLRBUAIPNV-AWEZNQCLSA-N -1 3 372.469 3.045 20 0 FGADHM CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(C(=O)c3ccccc3[O-])C[C@@H]21 ZINC000369911719 499150823 /nfs/dbraw/zinc/15/08/23/499150823.db2.gz LYRVJNMHEKKQDW-VNQPRFMTSA-N -1 3 360.454 3.158 20 0 FGADHM Cn1cc(-c2ncccc2[N-]S(=O)(=O)C2=Cc3ccccc3CC2)cn1 ZINC000372740732 499168542 /nfs/dbraw/zinc/16/85/42/499168542.db2.gz MXFYMPGYYCKQPD-UHFFFAOYSA-N -1 3 366.446 3.211 20 0 FGADHM CCCc1nc([C@H]([N-]S(=O)(=O)CC2CCCC2)c2ccccc2)no1 ZINC000372780152 499174489 /nfs/dbraw/zinc/17/44/89/499174489.db2.gz IDSCVGNBTWLSSI-QGZVFWFLSA-N -1 3 363.483 3.221 20 0 FGADHM CCc1cc(=O)[n-]c(CN[C@@H](C)c2nnc(-c3cccc(F)c3)s2)n1 ZINC000372903425 499192415 /nfs/dbraw/zinc/19/24/15/499192415.db2.gz HPBFTAXWQYKKAG-JTQLQIEISA-N -1 3 359.430 3.253 20 0 FGADHM O=C([O-])c1cnccc1N1CCN(c2ccc(C(F)(F)F)cc2)CC1 ZINC000576350423 506136955 /nfs/dbraw/zinc/13/69/55/506136955.db2.gz HSUFIJIODBIQGI-UHFFFAOYSA-N -1 3 351.328 3.125 20 0 FGADHM CC(C)(C)OC(=O)NC1C[C@H]2CCC[C@@H](C1)N2C(=O)c1cccc([O-])c1 ZINC000370357719 499212702 /nfs/dbraw/zinc/21/27/02/499212702.db2.gz CHKAKWKTFNNBCS-MQVJKMGUSA-N -1 3 360.454 3.443 20 0 FGADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3ccnn3-c3ccccc3)cc2)n1 ZINC000370489935 499225504 /nfs/dbraw/zinc/22/55/04/499225504.db2.gz FKEONARQYJZNAQ-UHFFFAOYSA-N -1 3 371.400 3.183 20 0 FGADHM CC(C)CNC(=O)N1CCC[C@H](C(=O)Nc2c([O-])cccc2Cl)C1 ZINC000579294848 506138409 /nfs/dbraw/zinc/13/84/09/506138409.db2.gz YWWSSJACISHVHO-LBPRGKRZSA-N -1 3 353.850 3.062 20 0 FGADHM CCOC1CC2(C1)CCN(Cc1cc(=O)oc3cc([O-])c(CC)cc13)C2 ZINC000367752699 499230858 /nfs/dbraw/zinc/23/08/58/499230858.db2.gz IDBLPYMXZUTFLT-UHFFFAOYSA-N -1 3 357.450 3.452 20 0 FGADHM CON(C(=O)c1c[n-]c2ccccc2c1=O)[C@@H]1CCCOc2ccccc21 ZINC000370727509 499248758 /nfs/dbraw/zinc/24/87/58/499248758.db2.gz ZBHWSHZSKOTQDK-GOSISDBHSA-N -1 3 364.401 3.446 20 0 FGADHM CON(C(=O)c1cnc2ccccc2c1[O-])[C@@H]1CCCOc2ccccc21 ZINC000370727509 499248759 /nfs/dbraw/zinc/24/87/59/499248759.db2.gz ZBHWSHZSKOTQDK-GOSISDBHSA-N -1 3 364.401 3.446 20 0 FGADHM Cn1nccc1C1=CCN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)CC1 ZINC000576366697 506141221 /nfs/dbraw/zinc/14/12/21/506141221.db2.gz UEUIYVHSRYQMPL-UHFFFAOYSA-N -1 3 361.405 3.104 20 0 FGADHM Cc1c(-c2ccncc2)[n-][nH]c1=NC(=O)[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000368225522 499275804 /nfs/dbraw/zinc/27/58/04/499275804.db2.gz XIBLVYLZDGWSIQ-MJGOQNOKSA-N -1 3 362.433 3.308 20 0 FGADHM Cc1ccc(-n2nnnc2SCc2noc(-c3ccccc3[O-])n2)cc1 ZINC000371455768 499329185 /nfs/dbraw/zinc/32/91/85/499329185.db2.gz CLVFQXUEUKXOBF-UHFFFAOYSA-N -1 3 366.406 3.019 20 0 FGADHM CSc1ccc(C(=O)N2CCC[C@@H](c3noc(C4CC4)n3)C2)c([O-])c1 ZINC000368904600 499345180 /nfs/dbraw/zinc/34/51/80/499345180.db2.gz HGOCDAJVSMRRME-GFCCVEGCSA-N -1 3 359.451 3.394 20 0 FGADHM CS(=O)(=O)[N-]c1cc(C(=O)N2CC3(CCC3)c3ccccc32)ccc1F ZINC000368988664 499353906 /nfs/dbraw/zinc/35/39/06/499353906.db2.gz AZMHAMXCQXBGKO-UHFFFAOYSA-N -1 3 374.437 3.279 20 0 FGADHM O=C([N-]OCC(F)(F)F)[C@@H]1C[C@@]12CCc1cc(Br)ccc12 ZINC000369070500 499362713 /nfs/dbraw/zinc/36/27/13/499362713.db2.gz JSQROEBTWUPDOQ-WCQYABFASA-N -1 3 364.161 3.263 20 0 FGADHM CCCc1nc([C@@H]([N-]S(=O)(=O)C[C@@H](C)CC)c2ccccc2)no1 ZINC000369488666 499408406 /nfs/dbraw/zinc/40/84/06/499408406.db2.gz WJQHBSMULHSNNO-BBRMVZONSA-N -1 3 351.472 3.077 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)[C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000369531931 499413613 /nfs/dbraw/zinc/41/36/13/499413613.db2.gz MQLRJNLDZQCFNY-CVEARBPZSA-N -1 3 369.812 3.236 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000369531931 499413615 /nfs/dbraw/zinc/41/36/15/499413615.db2.gz MQLRJNLDZQCFNY-CVEARBPZSA-N -1 3 369.812 3.236 20 0 FGADHM CN1CC[C@H](CNC(=O)c2cc(=O)c3ccccc3[n-]2)[C@@H]1c1cccs1 ZINC000369553313 499416714 /nfs/dbraw/zinc/41/67/14/499416714.db2.gz YEQIHADSLYZEPF-BFUOFWGJSA-N -1 3 367.474 3.012 20 0 FGADHM COc1cc(C(=O)N2CCO[C@@H](c3ccc(C)cc3C)C2)cc(OC)c1[O-] ZINC000372334990 499421838 /nfs/dbraw/zinc/42/18/38/499421838.db2.gz UBZGNCIHWVIEFA-LJQANCHMSA-N -1 3 371.433 3.240 20 0 FGADHM Cc1nc(C)n(C[C@@H]2CCCCN2C(=O)c2cc([O-])c3ccccc3c2)n1 ZINC000369620000 499427190 /nfs/dbraw/zinc/42/71/90/499427190.db2.gz COGUXVIBKPZSQJ-SFHVURJKSA-N -1 3 364.449 3.449 20 0 FGADHM Cc1nc2c(s1)CCC[C@H]2CNC(=O)c1c[n-]c2ccccc2c1=O ZINC000372402443 499430101 /nfs/dbraw/zinc/43/01/01/499430101.db2.gz BJZQWUGQGAMOFD-LBPRGKRZSA-N -1 3 353.447 3.143 20 0 FGADHM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)[C@H]1CCCCN1C1CCCC1 ZINC000373020795 499447738 /nfs/dbraw/zinc/44/77/38/499447738.db2.gz CANCLVQCRVIULP-OAHLLOKOSA-N -1 3 374.510 3.152 20 0 FGADHM CCCCC[C@H](C)CC(=O)N1CCC(c2n[n-]c(C(=O)OCC)n2)CC1 ZINC000373075635 499450093 /nfs/dbraw/zinc/45/00/93/499450093.db2.gz XQUBXSJMEIRDBE-AWEZNQCLSA-N -1 3 364.490 3.294 20 0 FGADHM CCCCC[C@H](C)CC(=O)N1CCC(c2nnc(C(=O)OCC)[n-]2)CC1 ZINC000373075635 499450094 /nfs/dbraw/zinc/45/00/94/499450094.db2.gz XQUBXSJMEIRDBE-AWEZNQCLSA-N -1 3 364.490 3.294 20 0 FGADHM CN(C(=O)c1csc(=O)[n-]1)[C@H](c1cccnc1)c1ccc(F)c(F)c1 ZINC000373430013 499469320 /nfs/dbraw/zinc/46/93/20/499469320.db2.gz FIXGSRQPVFQQMD-HNNXBMFYSA-N -1 3 361.373 3.384 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N3CCC[C@H](OCC4CC4)C3)c[n-]c12 ZINC000373543106 499475986 /nfs/dbraw/zinc/47/59/86/499475986.db2.gz GZTNXWDETUVDMX-HNNXBMFYSA-N -1 3 358.413 3.007 20 0 FGADHM O=C(c1cc([O-])ccc1C(F)(F)F)N1CC[C@H](O)c2ccccc2C1 ZINC000373595801 499478773 /nfs/dbraw/zinc/47/87/73/499478773.db2.gz SHWRREXLTOIGJO-INIZCTEOSA-N -1 3 351.324 3.491 20 0 FGADHM CN1C(=O)C[C@@H](CNC(=O)c2cc([O-])c3ccccc3c2)[C@@H]1c1ccccc1 ZINC000373653291 499481984 /nfs/dbraw/zinc/48/19/84/499481984.db2.gz ISVSWDREFYTREQ-AVRDEDQJSA-N -1 3 374.440 3.495 20 0 FGADHM Cn1cc(CNc2ccc3c(c2)C(=O)[N-]C3=O)c(-c2ccccc2Cl)n1 ZINC000375187765 499493405 /nfs/dbraw/zinc/49/34/05/499493405.db2.gz KNUBRANLXNJEFU-UHFFFAOYSA-N -1 3 366.808 3.236 20 0 FGADHM O=S(=O)([N-][C@@H](c1ccccc1)[C@H]1CCOC1)c1ccc(F)cc1F ZINC000378375970 499508857 /nfs/dbraw/zinc/50/88/57/499508857.db2.gz HQKSMCCWXHTZEG-GUYCJALGSA-N -1 3 353.390 3.021 20 0 FGADHM CSc1ccc(C(=O)N2CCC[C@@H](c3nncn3C(C)C)C2)c([O-])c1 ZINC000375524141 499528738 /nfs/dbraw/zinc/52/87/38/499528738.db2.gz GAUWKERFZPTTJT-CYBMUJFWSA-N -1 3 360.483 3.306 20 0 FGADHM Cc1ccccc1COC1CCN(C(=O)/C=C/c2cncc([O-])c2)CC1 ZINC000378610943 499537537 /nfs/dbraw/zinc/53/75/37/499537537.db2.gz XXUZTJRAZBDJAG-VOTSOKGWSA-N -1 3 352.434 3.317 20 0 FGADHM O=C(c1csc(=O)[n-]1)N1CCC[C@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000375668740 499543294 /nfs/dbraw/zinc/54/32/94/499543294.db2.gz JZALVTUJVNJPIR-AWEZNQCLSA-N -1 3 358.398 3.355 20 0 FGADHM CC(C)(C)OC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)C1CCCCC1 ZINC000392739948 499559410 /nfs/dbraw/zinc/55/94/10/499559410.db2.gz XHCOWRUKGJAPGZ-KRWDZBQOSA-N -1 3 367.511 3.192 20 0 FGADHM CS(=O)(=O)[N-]c1cc(C(=O)N[C@@H]2CC[C@H]3CCCC[C@H]3C2)ccc1F ZINC000407975858 499572861 /nfs/dbraw/zinc/57/28/61/499572861.db2.gz IPDZJEDCZNRGBM-VNHYZAJKSA-N -1 3 368.474 3.286 20 0 FGADHM CC1(C)[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)[C@H]2CCO[C@H]21 ZINC000408385303 499586337 /nfs/dbraw/zinc/58/63/37/499586337.db2.gz LIBQSEAMBXVKBO-OASPWFOLSA-N -1 3 350.267 3.085 20 0 FGADHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000576410472 506151730 /nfs/dbraw/zinc/15/17/30/506151730.db2.gz LKVIFBJYLZLHFV-LBPRGKRZSA-N -1 3 355.360 3.254 20 0 FGADHM O=C(NCc1ccc([O-])c(Br)c1)N1CC[C@@H](c2ccco2)C1 ZINC000376535577 499615942 /nfs/dbraw/zinc/61/59/42/499615942.db2.gz NNBBWCQZZRQHDM-GFCCVEGCSA-N -1 3 365.227 3.447 20 0 FGADHM Cc1ccc([O-])c(NC(=O)[C@H](C)Oc2ccc(Br)cc2)n1 ZINC000409914237 499629257 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Cn1[n-]c(=NC(=O)N2CCC[C@@]2(C)Cc2ccccc2)cc1OC(F)F ZINC000429658869 500119793 /nfs/dbraw/zinc/11/97/93/500119793.db2.gz JPWHXOSSIGOODY-SFHVURJKSA-N -1 3 364.396 3.073 20 0 FGADHM Cn1[n-]c(=NC(=O)NC(c2ccccc2)c2ccccc2)cc1OC(F)F ZINC000429660855 500119978 /nfs/dbraw/zinc/11/99/78/500119978.db2.gz ODOFASNOESGWRZ-UHFFFAOYSA-N -1 3 372.375 3.355 20 0 FGADHM COc1ccc2c(c1)CCC[C@@]2(NCc1cnn(C(C)(C)C)c1)C(=O)[O-] ZINC000417595698 500120578 /nfs/dbraw/zinc/12/05/78/500120578.db2.gz YAXBGGXMLWBJHS-FQEVSTJZSA-N -1 3 357.454 3.053 20 0 FGADHM COc1cccc([C@H](CC(=O)[O-])NCc2ccc(OC)c(OC)c2C)c1 ZINC000417593304 500120611 /nfs/dbraw/zinc/12/06/11/500120611.db2.gz ZHHIAMVXSUEUAH-KRWDZBQOSA-N -1 3 359.422 3.326 20 0 FGADHM COc1ccc(CN[C@H](CCC(=O)[O-])c2ccccc2)c(OC)c1OC ZINC000417603325 500122556 /nfs/dbraw/zinc/12/25/56/500122556.db2.gz QUCWEPRTRBLTAQ-MRXNPFEDSA-N -1 3 359.422 3.408 20 0 FGADHM COc1cc(Br)ccc1CNC[C@@H](CC(=O)[O-])C(F)(F)F ZINC000417624449 500128413 /nfs/dbraw/zinc/12/84/13/500128413.db2.gz KRHNEEFGESWKGJ-SECBINFHSA-N -1 3 370.165 3.201 20 0 FGADHM CC(C)=CCSC[C@H](NCc1cncc(Br)c1)C(=O)[O-] ZINC000417631197 500131144 /nfs/dbraw/zinc/13/11/44/500131144.db2.gz VPNCJRFWGJLWES-ZDUSSCGKSA-N -1 3 359.289 3.086 20 0 FGADHM CC[C@@H](CCC(=O)[O-])NCc1c(Br)cc(OC)cc1OC ZINC000417633090 500131160 /nfs/dbraw/zinc/13/11/60/500131160.db2.gz ZCHMRVJVWXBQNA-JTQLQIEISA-N -1 3 360.248 3.199 20 0 FGADHM CO[C@@H](CNCc1ccc(-c2ccccc2Br)s1)C(=O)[O-] ZINC000417632370 500131251 /nfs/dbraw/zinc/13/12/51/500131251.db2.gz SNYUGGLBOLYSRY-ZDUSSCGKSA-N -1 3 370.268 3.367 20 0 FGADHM COCCOc1ccc(CN[C@H]2C[C@H](C(=O)[O-])c3ccccc32)cc1OC ZINC000417637516 500132970 /nfs/dbraw/zinc/13/29/70/500132970.db2.gz YYZVDJVSJIDZFS-ROUUACIJSA-N -1 3 371.433 3.123 20 0 FGADHM Cc1cnn(C)c1CN[C@@H](c1ccc(Br)cc1)[C@@H](C)C(=O)[O-] ZINC000417639347 500133621 /nfs/dbraw/zinc/13/36/21/500133621.db2.gz LYBAYZYYHQTVPX-IAQYHMDHSA-N -1 3 366.259 3.043 20 0 FGADHM O=C([O-])[C@@H](CNCc1ccc(OCC(F)(F)F)cc1)Oc1ccccc1 ZINC000417639385 500133909 /nfs/dbraw/zinc/13/39/09/500133909.db2.gz MDUUFDILLBKUPV-MRXNPFEDSA-N -1 3 369.339 3.250 20 0 FGADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC000429795011 500146856 /nfs/dbraw/zinc/14/68/56/500146856.db2.gz XHPSMQARHFMFEM-PKOBYXMFSA-N -1 3 371.396 3.401 20 0 FGADHM O=S(=O)([N-]Cc1ccc(CO)c(F)c1)c1ccc(Cl)cc1Cl ZINC000429828134 500152072 /nfs/dbraw/zinc/15/20/72/500152072.db2.gz JTEZNHCPZBYOFU-UHFFFAOYSA-N -1 3 364.225 3.103 20 0 FGADHM CCc1nc(C[N-]S(=O)(=O)c2ccc(Cl)cc2Cl)cs1 ZINC000429845533 500155264 /nfs/dbraw/zinc/15/52/64/500155264.db2.gz ZUQYWLNQLIONKP-UHFFFAOYSA-N -1 3 351.280 3.491 20 0 FGADHM CC(C)[C@@H]([N-]S(=O)(=O)c1c(Cl)cnn1C)c1ccc(F)cc1F ZINC000429866983 500159637 /nfs/dbraw/zinc/15/96/37/500159637.db2.gz BDJJKNHBKPVCFI-CYBMUJFWSA-N -1 3 363.817 3.027 20 0 FGADHM O=S(=O)([N-]Cc1ccn2ccnc2c1)c1ccc(Cl)cc1Cl ZINC000429873492 500160134 /nfs/dbraw/zinc/16/01/34/500160134.db2.gz RQMYAGNYPMRLJB-UHFFFAOYSA-N -1 3 356.234 3.120 20 0 FGADHM O=c1cc(CNc2cccc(I)c2)nc(C2CC2)[n-]1 ZINC000416988907 500177002 /nfs/dbraw/zinc/17/70/02/500177002.db2.gz DAWAHAZUDMBEED-UHFFFAOYSA-N -1 3 367.190 3.276 20 0 FGADHM Cc1cc(C(=O)NC[C@@H]2CSCCN2Cc2ccccc2)ccc1[O-] ZINC000430103231 500192702 /nfs/dbraw/zinc/19/27/02/500192702.db2.gz GZBJWXGFRVHTPA-GOSISDBHSA-N -1 3 356.491 3.048 20 0 FGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)c1cc(F)ccc1F ZINC000430144156 500199740 /nfs/dbraw/zinc/19/97/40/500199740.db2.gz ZBOLEXLOTJQQJS-UHFFFAOYSA-N -1 3 352.138 3.049 20 0 FGADHM Cc1ccc(OCC(=O)N=c2cc3ccc(Br)cn3[n-]2)cc1C ZINC000430148669 500200234 /nfs/dbraw/zinc/20/02/34/500200234.db2.gz LUHLZMPNKNKPIQ-UHFFFAOYSA-N -1 3 374.238 3.153 20 0 FGADHM COC(=O)[C@H](CNC(=O)[C@H](C)CC1CCCC1)Cc1ccc([O-])c(F)c1 ZINC000422035303 500203090 /nfs/dbraw/zinc/20/30/90/500203090.db2.gz GSVORBKJDSNAOJ-CJNGLKHVSA-N -1 3 365.445 3.196 20 0 FGADHM COC(=O)[C@H](CNC(=O)[C@@H](C)CC(C)(C)C)Cc1ccc([O-])c(F)c1 ZINC000422038801 500203594 /nfs/dbraw/zinc/20/35/94/500203594.db2.gz 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CCc1[n-][nH]c(=NC(=O)c2cnn(CC(C)C)c2-c2ccccc2)c1C ZINC000430560327 500254872 /nfs/dbraw/zinc/25/48/72/500254872.db2.gz ZIDYSACVOYQLFB-UHFFFAOYSA-N -1 3 351.454 3.474 20 0 FGADHM Cc1ccc([C@H](NC(=O)CN(C)CCCC(=O)[O-])c2cccs2)cc1 ZINC000430671150 500268035 /nfs/dbraw/zinc/26/80/35/500268035.db2.gz PJTYNRIWQLCRMR-IBGZPJMESA-N -1 3 360.479 3.059 20 0 FGADHM [O-]c1ccc(Br)c(CN(CCO)Cc2cccc(F)c2)c1 ZINC000426388041 500268311 /nfs/dbraw/zinc/26/83/11/500268311.db2.gz FBUJYJXHERLJMZ-UHFFFAOYSA-N -1 3 354.219 3.288 20 0 FGADHM COC(=O)c1ccc(-c2nc(-c3cc(N(C)C)nc4ccccc43)no2)[n-]1 ZINC000426392999 500268465 /nfs/dbraw/zinc/26/84/65/500268465.db2.gz YQXHCUQSFIODBJ-UHFFFAOYSA-N -1 3 363.377 3.133 20 0 FGADHM COC(=O)c1ccc(-c2nc(-c3ccc(OC4CCCC4)nc3)no2)[n-]1 ZINC000426391682 500268804 /nfs/dbraw/zinc/26/88/04/500268804.db2.gz VAYUMDCSZWHFRG-UHFFFAOYSA-N -1 3 354.366 3.235 20 0 FGADHM COC(=O)c1ccc(-c2nc(-c3ccc(OC4CCOCC4)cc3)no2)[n-]1 ZINC000426410358 500270798 /nfs/dbraw/zinc/27/07/98/500270798.db2.gz 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ZINC000426640766 500299278 /nfs/dbraw/zinc/29/92/78/500299278.db2.gz UXNVBJDTLHWWRW-UHFFFAOYSA-N -1 3 363.820 3.331 20 0 FGADHM O=C([O-])[C@@H](Cc1ccc(O)cc1)NCc1cc(Br)ccc1F ZINC000426653734 500301579 /nfs/dbraw/zinc/30/15/79/500301579.db2.gz FKMUZGPERGSRAL-OAHLLOKOSA-N -1 3 368.202 3.079 20 0 FGADHM O=C([O-])COc1ccc(CCNCc2cc(Cl)cc3c2OCC3)cc1 ZINC000426688936 500306854 /nfs/dbraw/zinc/30/68/54/500306854.db2.gz SPZONJFRIVXREV-UHFFFAOYSA-N -1 3 361.825 3.071 20 0 FGADHM C[C@]1(C(=O)[O-])CCCC[C@H]1NCc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000426726458 500311466 /nfs/dbraw/zinc/31/14/66/500311466.db2.gz JSOLRWSPGNUKAQ-WBVHZDCISA-N -1 3 366.824 3.183 20 0 FGADHM Cc1cnn(C[C@@H](NCc2ccc(-c3ccc(F)cc3)s2)C(=O)[O-])c1 ZINC000426724606 500311731 /nfs/dbraw/zinc/31/17/31/500311731.db2.gz UHYBFRWDJQUOPY-MRXNPFEDSA-N -1 3 359.426 3.302 20 0 FGADHM Cc1cnn(C[C@H](NCc2ccc(Cl)c(C(F)(F)F)c2)C(=O)[O-])c1 ZINC000426725530 500311738 /nfs/dbraw/zinc/31/17/38/500311738.db2.gz ZPQMQEXCANNBIF-ZDUSSCGKSA-N -1 3 361.751 3.107 20 0 FGADHM O=C([O-])[C@H](CN1CCCc2ccccc21)NCc1ccc(F)cc1Cl ZINC000426747049 500314397 /nfs/dbraw/zinc/31/43/97/500314397.db2.gz MMSBPBXAZUOCLZ-KRWDZBQOSA-N -1 3 362.832 3.475 20 0 FGADHM COc1ccc2nc(CN[C@@H](Cc3ccc(F)cc3)C(=O)[O-])sc2c1 ZINC000426749852 500315092 /nfs/dbraw/zinc/31/50/92/500315092.db2.gz IYWPYKXNIVTYCD-HNNXBMFYSA-N -1 3 360.410 3.230 20 0 FGADHM O=C([O-])[C@H](CN1CCCc2ccccc21)NCc1ccc(F)c(Cl)c1 ZINC000426759651 500316194 /nfs/dbraw/zinc/31/61/94/500316194.db2.gz XBVPYJMFHMMCAH-KRWDZBQOSA-N -1 3 362.832 3.475 20 0 FGADHM CCCSC[C@H](NCc1ccc(Br)cc1F)C(=O)[O-] ZINC000426776358 500319119 /nfs/dbraw/zinc/31/91/19/500319119.db2.gz YELKCVWENYMZIE-LBPRGKRZSA-N -1 3 350.253 3.274 20 0 FGADHM CCCSC[C@H](NCc1cc(Br)cc2c1OCC2)C(=O)[O-] ZINC000426779784 500319444 /nfs/dbraw/zinc/31/94/44/500319444.db2.gz LHHDHANOKHPYJW-ZDUSSCGKSA-N -1 3 374.300 3.070 20 0 FGADHM O=C([O-])[C@H](NCc1ccc(F)c(Br)c1)c1ccc(O)cc1 ZINC000426793986 500321334 /nfs/dbraw/zinc/32/13/34/500321334.db2.gz SJQBRZXYECIVHR-CQSZACIVSA-N -1 3 354.175 3.209 20 0 FGADHM COc1ccc([C@H](NCc2ccc(OCC(F)F)cc2)C(=O)[O-])cc1F ZINC000426824620 500325592 /nfs/dbraw/zinc/32/55/92/500325592.db2.gz NKROGXNFICYWEL-KRWDZBQOSA-N -1 3 369.339 3.394 20 0 FGADHM CC[C@H](CC(C)C)c1nc(-c2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)no1 ZINC000573417198 506190060 /nfs/dbraw/zinc/19/00/60/506190060.db2.gz BOWQPBZCUUFSAA-BLVKFPJESA-N -1 3 356.426 3.331 20 0 FGADHM CC(=O)Nc1cc(S(=O)(=O)[N-]c2cc(F)cc(F)c2F)ccc1C ZINC000431178244 500346451 /nfs/dbraw/zinc/34/64/51/500346451.db2.gz IYLHWGLRWYPABM-UHFFFAOYSA-N -1 3 358.341 3.172 20 0 FGADHM CCSc1ccc([C@H](C)NC(=O)CNC(=O)c2cccc([O-])c2)cc1 ZINC000427073176 500350334 /nfs/dbraw/zinc/35/03/34/500350334.db2.gz PSMBKQBWPNRODU-ZDUSSCGKSA-N -1 3 358.463 3.111 20 0 FGADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)CCOc1ccccc1-c1ccccc1 ZINC000427145781 500358675 /nfs/dbraw/zinc/35/86/75/500358675.db2.gz BFSPLAONFVGUDT-UHFFFAOYSA-N -1 3 365.389 3.271 20 0 FGADHM CC(C)(NC(=O)c1ccc([N-]S(C)(=O)=O)cc1)c1ccc(F)c(F)c1 ZINC000431552047 500391115 /nfs/dbraw/zinc/39/11/15/500391115.db2.gz YMPASTAFROGVNX-UHFFFAOYSA-N -1 3 368.405 3.001 20 0 FGADHM COc1ccncc1C[N-]S(=O)(=O)c1cc(C(C)C)ccc1Cl ZINC000431576858 500394250 /nfs/dbraw/zinc/39/42/50/500394250.db2.gz VNRDTSSWRWPMAH-UHFFFAOYSA-N -1 3 354.859 3.346 20 0 FGADHM CCC[C@H](C)S(=O)(=O)[N-][C@@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000576588924 506193163 /nfs/dbraw/zinc/19/31/63/506193163.db2.gz IPGCTRVJUSGTKW-RYUDHWBXSA-N -1 3 355.435 3.353 20 0 FGADHM Cc1cn2ccnc(C(=O)[N-]c3nnc(Cc4ccc(C)cc4)s3)c2n1 ZINC000431629645 500400617 /nfs/dbraw/zinc/40/06/17/500400617.db2.gz FNPATSOEQGJLBN-UHFFFAOYSA-N -1 3 364.434 3.041 20 0 FGADHM CN(Cc1ccc(Br)cc1)C(=O)c1cc(F)cc2[n-]nnc21 ZINC000431663241 500405333 /nfs/dbraw/zinc/40/53/33/500405333.db2.gz WHHILJXZHDEPSQ-UHFFFAOYSA-N -1 3 363.190 3.132 20 0 FGADHM CN(Cc1ccc(Br)cc1)C(=O)c1cc(F)cc2nn[n-]c21 ZINC000431663241 500405335 /nfs/dbraw/zinc/40/53/35/500405335.db2.gz 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/nfs/dbraw/zinc/01/80/76/501018076.db2.gz XCGPVZGQQOPCOX-UHFFFAOYSA-N -1 3 363.435 3.274 20 0 FGADHM C[C@H](Cc1cc(Br)ccc1F)[N-]S(=O)(=O)c1ccco1 ZINC000445729437 501025540 /nfs/dbraw/zinc/02/55/40/501025540.db2.gz AEKYHJPGXOCNLN-SECBINFHSA-N -1 3 362.220 3.091 20 0 FGADHM CC[C@H](Cc1ccccc1Br)[N-]S(=O)(=O)c1ccco1 ZINC000445737618 501026401 /nfs/dbraw/zinc/02/64/01/501026401.db2.gz YDVXFRLROHIDAE-GFCCVEGCSA-N -1 3 358.257 3.342 20 0 FGADHM COc1ccc(CN2CC[C@@H]3C[C@H](O)CC[C@@H]3C2)c(Br)c1[O-] ZINC000449552364 501031657 /nfs/dbraw/zinc/03/16/57/501031657.db2.gz IVCYVEQJTSBLHC-YRGRVCCFSA-N -1 3 370.287 3.146 20 0 FGADHM Cc1ccc(-c2nc(-c3cnc(OCC(F)(F)F)cn3)no2)c([O-])c1 ZINC000445787254 501032303 /nfs/dbraw/zinc/03/23/03/501032303.db2.gz MYQMUMZLKYFABQ-UHFFFAOYSA-N -1 3 352.272 3.149 20 0 FGADHM O=C(NCCNc1ncnc2sc3ccccc3c21)c1ccc([O-])cc1 ZINC000440684865 501038622 /nfs/dbraw/zinc/03/86/22/501038622.db2.gz WHKNGBNGTJAXMJ-UHFFFAOYSA-N -1 3 364.430 3.392 20 0 FGADHM COC(=O)c1cc(NC(=O)c2n[n-]nc2-c2ccccc2)c(C)cc1C ZINC000435916949 501046600 /nfs/dbraw/zinc/04/66/00/501046600.db2.gz WSIXUOJSFUQEND-UHFFFAOYSA-N -1 3 350.378 3.127 20 0 FGADHM COC(=O)c1scc(C)c1[N-]C(=O)c1nc(C)n(-c2ccc(F)cc2)n1 ZINC000445938969 501053454 /nfs/dbraw/zinc/05/34/54/501053454.db2.gz RRRMPOHHFZIRFS-UHFFFAOYSA-N -1 3 374.397 3.124 20 0 FGADHM O=c1[nH]c(CC(F)(F)F)c([O-])n1-c1cccc(Oc2ccncc2)c1 ZINC000445978087 501057602 /nfs/dbraw/zinc/05/76/02/501057602.db2.gz RHVDYNHXBKDTKG-CYBMUJFWSA-N -1 3 351.284 3.251 20 0 FGADHM COc1ccc(CNCc2cnc(C)cc2C)c(Br)c1[O-] ZINC000449733589 501071471 /nfs/dbraw/zinc/07/14/71/501071471.db2.gz ITGXZMCOMUCAQB-UHFFFAOYSA-N -1 3 351.244 3.465 20 0 FGADHM CCCn1c(=O)[n-]nc1S[C@@H](Cc1ccc(F)c(F)c1F)C(C)=O ZINC000436142390 501077213 /nfs/dbraw/zinc/07/72/13/501077213.db2.gz ZZNCIQZIXQYUIB-NSHDSACASA-N -1 3 359.373 3.103 20 0 FGADHM COC[C@H]1CCCN(Cc2ccc(OC)c([O-])c2Br)CC1 ZINC000449775333 501083624 /nfs/dbraw/zinc/08/36/24/501083624.db2.gz MDUCMDKGFNROOK-LBPRGKRZSA-N -1 3 358.276 3.412 20 0 FGADHM CCOC(=O)c1ccsc1[N-]C(=O)C(=O)N1CCCC[C@H]1[C@@H](C)CC ZINC000441099940 501087942 /nfs/dbraw/zinc/08/79/42/501087942.db2.gz WFLFTCBLOFGOTP-JSGCOSHPSA-N -1 3 366.483 3.291 20 0 FGADHM COc1cc(F)c([C@H](C)NC(=O)Cc2ccc([O-])c(F)c2)cc1OC ZINC000449866501 501111606 /nfs/dbraw/zinc/11/16/06/501111606.db2.gz YILUDPPOTANKAI-JTQLQIEISA-N -1 3 351.349 3.108 20 0 FGADHM O=C(CCc1ccc2ccccc2c1[O-])N1CC[C@](O)(C(F)(F)F)C1 ZINC000449921331 501126797 /nfs/dbraw/zinc/12/67/97/501126797.db2.gz GUKOBLOVXFTPGP-QGZVFWFLSA-N -1 3 353.340 3.004 20 0 FGADHM CN(C)c1ccc(S(=O)(=O)[N-]c2ccc(-c3nncs3)cc2)cc1 ZINC000436475369 501133591 /nfs/dbraw/zinc/13/35/91/501133591.db2.gz GGBXNJWYJFNKMK-UHFFFAOYSA-N -1 3 360.464 3.072 20 0 FGADHM CO[C@H](C)CS(=O)(=O)[N-]c1ccc(Oc2nc(C)cs2)c(F)c1 ZINC000436479079 501135802 /nfs/dbraw/zinc/13/58/02/501135802.db2.gz SJWBWWDJBXDOSC-SNVBAGLBSA-N -1 3 360.432 3.160 20 0 FGADHM CC[C@H]1CCC[C@@H]1C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000449978485 501143394 /nfs/dbraw/zinc/14/33/94/501143394.db2.gz NPFQBHUSRBRPEI-FZMZJTMJSA-N -1 3 354.447 3.031 20 0 FGADHM COc1cccc(C(=O)NCc2ccc3c(c2)nc(C)n3C2CC2)c1[O-] ZINC000436510462 501144057 /nfs/dbraw/zinc/14/40/57/501144057.db2.gz DJNRJGFYGNGQSH-UHFFFAOYSA-N -1 3 351.406 3.324 20 0 FGADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2F)cc1F ZINC000446634127 501145459 /nfs/dbraw/zinc/14/54/59/501145459.db2.gz KAQXCLUFGUHEJP-UHFFFAOYSA-N -1 3 361.753 3.206 20 0 FGADHM COc1ccccc1[C@H]1CN(C(=O)c2ccc(C(C)C)cc2[O-])CCN1 ZINC000436519082 501146718 /nfs/dbraw/zinc/14/67/18/501146718.db2.gz NWAQDJNMIPQFPH-GOSISDBHSA-N -1 3 354.450 3.311 20 0 FGADHM C[C@@H](CC(N)=O)C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000436520917 501147177 /nfs/dbraw/zinc/14/71/77/501147177.db2.gz JUIYWQVNDVGJCB-JTQLQIEISA-N -1 3 355.419 3.119 20 0 FGADHM Cc1ccc(NC(=O)c2cc3c(cc2[O-])CCCC3)cc1S(C)(=O)=O ZINC000436521862 501147531 /nfs/dbraw/zinc/14/75/31/501147531.db2.gz PFXLRNAOSQUIHC-UHFFFAOYSA-N -1 3 359.447 3.235 20 0 FGADHM COc1ccc(OC(F)F)c(NC(=O)c2cc(OC)c([O-])c(OC)c2)c1 ZINC000436534571 501149831 /nfs/dbraw/zinc/14/98/31/501149831.db2.gz KQWHAIKDIZGAML-UHFFFAOYSA-N -1 3 369.320 3.272 20 0 FGADHM COC(=O)c1cc2cc(NC(=O)c3cc(OC)c([O-])c(OC)c3)ccc2o1 ZINC000436536288 501150014 /nfs/dbraw/zinc/15/00/14/501150014.db2.gz PQRRHXLEGNMTLG-UHFFFAOYSA-N -1 3 371.345 3.195 20 0 FGADHM C[C@@]1(F)CCN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000436540321 501151663 /nfs/dbraw/zinc/15/16/63/501151663.db2.gz YGQGAZHROMTIKJ-GHTZIAJQSA-N -1 3 370.424 3.214 20 0 FGADHM CCOc1c(OC)cc(CNC(=O)c2cc(CC)ccc2[O-])cc1OC ZINC000436542459 501151943 /nfs/dbraw/zinc/15/19/43/501151943.db2.gz CIOPQPMASBXJLR-UHFFFAOYSA-N -1 3 359.422 3.301 20 0 FGADHM CC(C)c1ccc(C(=O)NCc2ccnc(OC3CCOCC3)c2)c([O-])c1 ZINC000436545169 501152977 /nfs/dbraw/zinc/15/29/77/501152977.db2.gz RFTNWNGKJRXWAS-UHFFFAOYSA-N -1 3 370.449 3.398 20 0 FGADHM CN(C(=O)c1cc(Cc2ccccc2)ccc1[O-])[C@@H]1CCN(C2CC2)C1 ZINC000436545526 501153947 /nfs/dbraw/zinc/15/39/47/501153947.db2.gz CJBOIPYIBIKVEO-LJQANCHMSA-N -1 3 350.462 3.292 20 0 FGADHM CCOC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)c1cc(CC)ccc1[O-] ZINC000436553076 501155126 /nfs/dbraw/zinc/15/51/26/501155126.db2.gz GESALQXPNSSKKA-GOSISDBHSA-N -1 3 355.434 3.201 20 0 FGADHM CN(C(=O)c1cc(CCc2ccccc2)ccc1[O-])[C@H]1CN2CCC1CC2 ZINC000436558637 501157003 /nfs/dbraw/zinc/15/70/03/501157003.db2.gz QYNIXTDGGWMEIL-NRFANRHFSA-N -1 3 364.489 3.344 20 0 FGADHM CC1(C)Cc2ccc(C(=O)Nc3ccc(-n4cncn4)c(F)c3)c([O-])c2O1 ZINC000436565473 501158735 /nfs/dbraw/zinc/15/87/35/501158735.db2.gz RFGJEOJAMJXOOA-UHFFFAOYSA-N -1 3 368.368 3.078 20 0 FGADHM CO[C@@H]1[C@H]2C[C@H]3CN(C(=O)c4cc(Cc5ccccc5)ccc4[O-])[C@H]1[C@H]3C2 ZINC000436569957 501159395 /nfs/dbraw/zinc/15/93/95/501159395.db2.gz KRQMPMJYLQXTFU-FHHGAAIESA-N -1 3 363.457 3.478 20 0 FGADHM COC(=O)[C@]1(C)CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC000436587560 501163832 /nfs/dbraw/zinc/16/38/32/501163832.db2.gz XFZONQLUOMOKLW-HXUWFJFHSA-N -1 3 355.390 3.210 20 0 FGADHM CC(C)c1ccc(C(=O)N2CCOC[C@H]2CC(=O)c2ccco2)c([O-])c1 ZINC000436588285 501164253 /nfs/dbraw/zinc/16/42/53/501164253.db2.gz SJFQNWUPMJBDEN-OAHLLOKOSA-N -1 3 357.406 3.223 20 0 FGADHM [O-]c1c(-c2nc(-c3cnc(OCC(F)F)cn3)no2)ccc2c1CCCC2 ZINC000436594872 501166139 /nfs/dbraw/zinc/16/61/39/501166139.db2.gz KCOWPZQWYBMSDI-UHFFFAOYSA-N -1 3 374.347 3.422 20 0 FGADHM COCCOc1ccc(NC(=O)c2c[n-]c3c(C)cccc3c2=O)cc1F ZINC000607719998 506237824 /nfs/dbraw/zinc/23/78/24/506237824.db2.gz FOAVIJZYLQSCAU-UHFFFAOYSA-N -1 3 370.380 3.253 20 0 FGADHM O=C(Nc1ccc([N-]S(=O)(=O)Cc2ccccc2Cl)cn1)C1CC1 ZINC000446820835 501167841 /nfs/dbraw/zinc/16/78/41/501167841.db2.gz IBULLDRDKYCCPF-UHFFFAOYSA-N -1 3 365.842 3.025 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(Oc3nccc(C)n3)cc2)cc1 ZINC000441725005 501168079 /nfs/dbraw/zinc/16/80/79/501168079.db2.gz DARZZNSISXSARC-UHFFFAOYSA-N -1 3 371.418 3.387 20 0 FGADHM CS(=O)(=O)C1(c2nc(-c3ccc([O-])c4ccccc34)no2)CCCC1 ZINC000436613344 501170067 /nfs/dbraw/zinc/17/00/67/501170067.db2.gz QAPHVCGTSJRFKP-UHFFFAOYSA-N -1 3 358.419 3.409 20 0 FGADHM Cc1csc(=O)n1CCc1nc(-c2ccc([O-])c3ccccc23)no1 ZINC000436613249 501170155 /nfs/dbraw/zinc/17/01/55/501170155.db2.gz TZOUWYUTIXLCRX-UHFFFAOYSA-N -1 3 353.403 3.370 20 0 FGADHM C[C@@H]1CCC[C@@H](CCNC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])C1 ZINC000436617120 501170927 /nfs/dbraw/zinc/17/09/27/501170927.db2.gz HDNAJBWBFQLVTJ-SOLBZPMBSA-N -1 3 358.482 3.329 20 0 FGADHM COc1ccc(OC)c([C@H]2CCCN2C(=O)c2ccc([O-])c(OC)c2)c1 ZINC000436627137 501173089 /nfs/dbraw/zinc/17/30/89/501173089.db2.gz NRVMIHOKPNEEMY-MRXNPFEDSA-N -1 3 357.406 3.395 20 0 FGADHM COc1ccc([C@@H]2CCCN2C(=O)c2ccc([O-])c(OC)c2)c(OC)c1 ZINC000436635824 501174591 /nfs/dbraw/zinc/17/45/91/501174591.db2.gz RUDFOBLCLVKINV-INIZCTEOSA-N -1 3 357.406 3.395 20 0 FGADHM CC(C)(COc1ncccc1C(F)(F)F)NC(=O)c1ccc(O)cc1[O-] ZINC000436634377 501174837 /nfs/dbraw/zinc/17/48/37/501174837.db2.gz KKXMMDKKDWOLDF-UHFFFAOYSA-N -1 3 370.327 3.099 20 0 FGADHM COc1cccc(CN(C[C@@H]2CCCO2)C(=O)c2ccc([O-])c(OC)c2)c1 ZINC000436636753 501175282 /nfs/dbraw/zinc/17/52/82/501175282.db2.gz SAIHVSRIAYSUBF-SFHVURJKSA-N -1 3 371.433 3.231 20 0 FGADHM C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1cc(F)c([O-])c(F)c1 ZINC000436640320 501176536 /nfs/dbraw/zinc/17/65/36/501176536.db2.gz OZZSTJKFOWRJRT-UGSOOPFHSA-N -1 3 360.404 3.311 20 0 FGADHM Cc1nccnc1CCNC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436667870 501183527 /nfs/dbraw/zinc/18/35/27/501183527.db2.gz YSXMDBDTIPPNHD-UHFFFAOYSA-N -1 3 361.445 3.248 20 0 FGADHM CC1(C)Cc2ccc(C(=O)NC[C@@H]3CCOc4ccccc43)c([O-])c2O1 ZINC000436671995 501184215 /nfs/dbraw/zinc/18/42/15/501184215.db2.gz KXNDCQXAYJNNHP-AWEZNQCLSA-N -1 3 353.418 3.402 20 0 FGADHM CC(C)(C)NC(=O)CCNC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436673040 501185135 /nfs/dbraw/zinc/18/51/35/501185135.db2.gz IOZLCGAZQMAZMW-UHFFFAOYSA-N -1 3 368.477 3.212 20 0 FGADHM CCOc1cc(CNC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)ccc1OC ZINC000436676715 501186125 /nfs/dbraw/zinc/18/61/25/501186125.db2.gz SFVLAMDFNIOWJB-UHFFFAOYSA-N -1 3 371.433 3.443 20 0 FGADHM CC(C)[C@@H](CC1CCCCC1)C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000436678614 501186271 /nfs/dbraw/zinc/18/62/71/501186271.db2.gz HHBVOUSAXICFGS-LJQANCHMSA-N -1 3 360.498 3.481 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C)c2ccc3ncsc3c2)c1 ZINC000436679370 501186875 /nfs/dbraw/zinc/18/68/75/501186875.db2.gz FXIJKFLHHBQDDI-JTQLQIEISA-N -1 3 355.419 3.451 20 0 FGADHM COc1ccc2c(c1)CN(C(=O)c1ccc3c(c1[O-])OC(C)(C)C3)CC2 ZINC000436684310 501188133 /nfs/dbraw/zinc/18/81/33/501188133.db2.gz YKIQJBINKDWFOR-UHFFFAOYSA-N -1 3 353.418 3.313 20 0 FGADHM COc1ccc(-c2nnc(CNC(=O)c3ccc4ccccc4c3[O-])[nH]2)cc1 ZINC000436690282 501189370 /nfs/dbraw/zinc/18/93/70/501189370.db2.gz PVJNUFDBVITIJO-UHFFFAOYSA-N -1 3 374.400 3.269 20 0 FGADHM COc1ccc(-c2n[nH]c(CNC(=O)c3ccc4ccccc4c3[O-])n2)cc1 ZINC000436690282 501189373 /nfs/dbraw/zinc/18/93/73/501189373.db2.gz PVJNUFDBVITIJO-UHFFFAOYSA-N -1 3 374.400 3.269 20 0 FGADHM COc1cc(-c2nc([C@@H]3CCOc4ccccc43)no2)cc(OC)c1[O-] ZINC000436692652 501189602 /nfs/dbraw/zinc/18/96/02/501189602.db2.gz YACOBFIGKNXJJR-CYBMUJFWSA-N -1 3 354.362 3.374 20 0 FGADHM CC(C)[C@@H]1CCC[C@H](NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)C1 ZINC000436701416 501191453 /nfs/dbraw/zinc/19/14/53/501191453.db2.gz AHCCHYXOIABBKI-SJORKVTESA-N -1 3 373.497 3.074 20 0 FGADHM Cn1c2ccccc2cc(CNC(=O)c2cc3c(cc2[O-])CCCC3)c1=O ZINC000436700115 501191501 /nfs/dbraw/zinc/19/15/01/501191501.db2.gz URYDAWOQZPDONM-UHFFFAOYSA-N -1 3 362.429 3.053 20 0 FGADHM CC1(C)Cc2cccc(CN3CCN(C(=O)c4ccccc4[O-])CC3)c2O1 ZINC000436699245 501191549 /nfs/dbraw/zinc/19/15/49/501191549.db2.gz SULVSGXNFFICAR-UHFFFAOYSA-N -1 3 366.461 3.064 20 0 FGADHM CCOC(=O)[C@H]1CN(C(=O)c2ccc([O-])c(CC)c2)Cc2ccccc21 ZINC000436704484 501192682 /nfs/dbraw/zinc/19/26/82/501192682.db2.gz PDPFETIOGLTLLX-SFHVURJKSA-N -1 3 353.418 3.257 20 0 FGADHM CC1(C)Cc2ccc(C(=O)N3C[C@H](C(F)(F)F)OC(C)(C)C3)c([O-])c2O1 ZINC000436706212 501193075 /nfs/dbraw/zinc/19/30/75/501193075.db2.gz LVOBDBJDLRMMPH-GFCCVEGCSA-N -1 3 373.371 3.288 20 0 FGADHM C[S@@](=O)Cc1ccc(CNC(=O)c2ccc3c(c2[O-])CCCC3)cc1 ZINC000436711053 501194088 /nfs/dbraw/zinc/19/40/88/501194088.db2.gz CMOHOOYTKSYDQG-RUZDIDTESA-N -1 3 357.475 3.080 20 0 FGADHM Cc1cnc(CCCC(=O)NCc2ccc([O-])c(Br)c2)o1 ZINC000450153319 501195382 /nfs/dbraw/zinc/19/53/82/501195382.db2.gz USHJNIPRZNRKDN-UHFFFAOYSA-N -1 3 353.216 3.090 20 0 FGADHM Cc1cccc2c(NC3CCN(C(=O)c4ccccc4[O-])CC3)ncnc12 ZINC000436718558 501196000 /nfs/dbraw/zinc/19/60/00/501196000.db2.gz XHTFIBCBQJVMJH-UHFFFAOYSA-N -1 3 362.433 3.361 20 0 FGADHM CN(C)CCN(Cc1ccc(F)cc1)C(=O)c1ccc(Cl)cc1[O-] ZINC000436720641 501196377 /nfs/dbraw/zinc/19/63/77/501196377.db2.gz UKMZIRYHXQYWKY-UHFFFAOYSA-N -1 3 350.821 3.389 20 0 FGADHM O=C(NC[C@@H](CO)c1cccnc1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436734960 501200325 /nfs/dbraw/zinc/20/03/25/501200325.db2.gz BUMUOBSFPASCGH-INIZCTEOSA-N -1 3 364.401 3.085 20 0 FGADHM C[C@H]1CN(C(=O)c2ccc(Br)cc2[O-])CCN(C2CCC2)C1 ZINC000436737772 501200589 /nfs/dbraw/zinc/20/05/89/501200589.db2.gz RBAZGXYCFQZETN-GFCCVEGCSA-N -1 3 367.287 3.101 20 0 FGADHM Cc1cc(C(=O)Nc2cc(Cl)ccc2[O-])nn1-c1nc(C)cc(C)n1 ZINC000436740602 501201478 /nfs/dbraw/zinc/20/14/78/501201478.db2.gz QQZUYGHJASYAIE-UHFFFAOYSA-N -1 3 357.801 3.199 20 0 FGADHM CC[C@@H](C)c1nnc([C@@H](C)NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)[nH]1 ZINC000436742534 501202536 /nfs/dbraw/zinc/20/25/36/501202536.db2.gz XRKRTJWDYALXFZ-GHMZBOCLSA-N -1 3 358.442 3.228 20 0 FGADHM O=C(CCc1ccc2ccccc2c1[O-])N1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000450182444 501203195 /nfs/dbraw/zinc/20/31/95/501203195.db2.gz CLHZSJHHSYHRAB-YJBOKZPZSA-N -1 3 367.367 3.392 20 0 FGADHM COc1ccc2cc(NC(=O)c3cc(OC)c([O-])c(OC)c3)ccc2n1 ZINC000436766323 501208080 /nfs/dbraw/zinc/20/80/80/501208080.db2.gz DGQQLEDYQWNVCJ-UHFFFAOYSA-N -1 3 354.362 3.219 20 0 FGADHM Cc1cc(=O)c(-c2nc(-c3ccc([O-])cc3)no2)nn1-c1ccccc1F ZINC000436770081 501208736 /nfs/dbraw/zinc/20/87/36/501208736.db2.gz PYHQHKNVCNEORT-UHFFFAOYSA-N -1 3 364.336 3.103 20 0 FGADHM COc1cc(-c2noc(-c3ccc(S(=O)(=O)C(C)C)cc3)n2)ccc1[O-] ZINC000436788562 501211563 /nfs/dbraw/zinc/21/15/63/501211563.db2.gz HHMSUHQGSZKSFY-UHFFFAOYSA-N -1 3 374.418 3.300 20 0 FGADHM COC(=O)[C@@H](NC(=O)c1cccc(OC)c1[O-])c1ccc2ccccc2c1 ZINC000436793566 501212851 /nfs/dbraw/zinc/21/28/51/501212851.db2.gz LFRJQOFVSWIXMX-SFHVURJKSA-N -1 3 365.385 3.198 20 0 FGADHM C[C@H]1CN(c2ccc(Cl)c(F)c2)CCN1C(=O)c1ccc(O)cc1[O-] ZINC000436805963 501214396 /nfs/dbraw/zinc/21/43/96/501214396.db2.gz GHOGSBWQEJFYQT-NSHDSACASA-N -1 3 364.804 3.241 20 0 FGADHM Cc1ccc(C(=O)N(Cc2ccccc2)C[C@]2(O)CCO[C@@H]2C)c([O-])c1C ZINC000436809579 501215081 /nfs/dbraw/zinc/21/50/81/501215081.db2.gz UJPSGBYVIXVKDF-VGOFRKELSA-N -1 3 369.461 3.191 20 0 FGADHM CCc1ccc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccccc2)c([O-])c1 ZINC000436811954 501215326 /nfs/dbraw/zinc/21/53/26/501215326.db2.gz WSACGTWVCJGXGV-MRXNPFEDSA-N -1 3 356.447 3.108 20 0 FGADHM O=C(NC[C@@H](c1ccco1)N1CCCC1)c1cc2c(cc1[O-])CCCC2 ZINC000436827820 501217550 /nfs/dbraw/zinc/21/75/50/501217550.db2.gz OVKVAFMWUMJHSI-SFHVURJKSA-N -1 3 354.450 3.431 20 0 FGADHM COc1cccc(C(=O)NCC(C)(C)Oc2cc(F)cc(F)c2)c1[O-] ZINC000436825963 501217584 /nfs/dbraw/zinc/21/75/84/501217584.db2.gz IQZZBNFGPMDWKF-UHFFFAOYSA-N -1 3 351.349 3.266 20 0 FGADHM CCOc1ccc(Cl)cc1CCNC(=O)Cc1ccc([O-])c(F)c1 ZINC000450246842 501218495 /nfs/dbraw/zinc/21/84/95/501218495.db2.gz RUUZVHNVVYUMOM-UHFFFAOYSA-N -1 3 351.805 3.485 20 0 FGADHM CCOC(=O)c1csc(=NC[C@H](c2ccsc2)N(CC)CC)[n-]1 ZINC000450255110 501220286 /nfs/dbraw/zinc/22/02/86/501220286.db2.gz APTKDBGFNXXOEO-CQSZACIVSA-N -1 3 353.513 3.298 20 0 FGADHM COc1cccc(N2CCC[C@@H](NC(=O)c3ccc(C)c(C)c3[O-])C2)c1 ZINC000436845732 501220644 /nfs/dbraw/zinc/22/06/44/501220644.db2.gz UKGBWFYDLYOBQW-MRXNPFEDSA-N -1 3 354.450 3.416 20 0 FGADHM Cc1cccc(C(=O)Nc2ccc(CN3CCOCC3)c(Cl)c2)c1[O-] ZINC000436846912 501220838 /nfs/dbraw/zinc/22/08/38/501220838.db2.gz ZDGUHHAGKIJUNE-UHFFFAOYSA-N -1 3 360.841 3.439 20 0 FGADHM COc1ccc(C(=O)NC[C@H](NCc2ccccc2)c2ccco2)c([O-])c1 ZINC000436859919 501223093 /nfs/dbraw/zinc/22/30/93/501223093.db2.gz ZKAYJCVNXOYNTI-SFHVURJKSA-N -1 3 366.417 3.255 20 0 FGADHM Cc1cc([O-])c(C(C)C)cc1C(=O)N=c1ccn(Cc2ccncc2)[nH]1 ZINC000436864235 501223604 /nfs/dbraw/zinc/22/36/04/501223604.db2.gz MIPVRMRTHYPZQF-UHFFFAOYSA-N -1 3 350.422 3.138 20 0 FGADHM COc1cccc(C(=O)N2C[C@H](C)N(Cc3ccccc3)C[C@H]2C)c1[O-] ZINC000436863077 501223656 /nfs/dbraw/zinc/22/36/56/501223656.db2.gz RPMLESGPHUYBOR-JKSUJKDBSA-N -1 3 354.450 3.136 20 0 FGADHM CCOc1cc(-c2noc(-c3cccc(C(=O)NC4CC4)c3)n2)ccc1[O-] ZINC000436877704 501226101 /nfs/dbraw/zinc/22/61/01/501226101.db2.gz QHIKSJCZFVUPLJ-UHFFFAOYSA-N -1 3 365.389 3.400 20 0 FGADHM CCc1ccc(-c2nc(-c3ccc(S(=O)(=O)CC)cc3)no2)c([O-])c1 ZINC000436879772 501226111 /nfs/dbraw/zinc/22/61/11/501226111.db2.gz OHFGKBUGGVKGFS-UHFFFAOYSA-N -1 3 358.419 3.465 20 0 FGADHM COc1ccc(CN2CCCN(C(=O)c3ccc([O-])c(C)c3)CC2)cc1 ZINC000436898251 501229478 /nfs/dbraw/zinc/22/94/78/501229478.db2.gz XFBISRZATQJVKD-UHFFFAOYSA-N -1 3 354.450 3.057 20 0 FGADHM Cc1cccc([C@@H](C)C(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)c1 ZINC000436899213 501229732 /nfs/dbraw/zinc/22/97/32/501229732.db2.gz CFTJRTSLQMDLGW-MRXNPFEDSA-N -1 3 366.461 3.225 20 0 FGADHM Cc1ccc(-c2nnc([C@H](C)N3CCC(c4n[n-]c(=O)o4)CC3)o2)cc1C ZINC000450920253 501230012 /nfs/dbraw/zinc/23/00/12/501230012.db2.gz VDROTWVMVUHBLS-ZDUSSCGKSA-N -1 3 369.425 3.383 20 0 FGADHM Cc1ccc(CN2CCC(c3n[n-]c(=O)o3)CC2)cc1Br ZINC000450920257 501230030 /nfs/dbraw/zinc/23/00/30/501230030.db2.gz VFKCZJIRCZCKSI-UHFFFAOYSA-N -1 3 352.232 3.226 20 0 FGADHM Cc1ccc(C(=O)N[C@H](CO)c2ccccc2OC(F)(F)F)c([O-])c1 ZINC000436914119 501231908 /nfs/dbraw/zinc/23/19/08/501231908.db2.gz KQOXQHGJZOLWNS-CYBMUJFWSA-N -1 3 355.312 3.063 20 0 FGADHM COC(=O)C(C)(C)c1csc(NC(=O)c2cc3c(cc2[O-])CCCC3)n1 ZINC000436919143 501232379 /nfs/dbraw/zinc/23/23/79/501232379.db2.gz LYHJBFGNQCDURI-UHFFFAOYSA-N -1 3 374.462 3.430 20 0 FGADHM Cc1ccc(-c2nc(-c3ccc(OCC(=O)N(C)C)cc3)no2)c([O-])c1C ZINC000436918078 501232756 /nfs/dbraw/zinc/23/27/56/501232756.db2.gz GFYKODQEXAXAGE-UHFFFAOYSA-N -1 3 367.405 3.193 20 0 FGADHM CN(C)[C@H](C[N-]S(=O)(=O)c1cc2cc(F)ccc2o1)c1ccsc1 ZINC000451040960 501241264 /nfs/dbraw/zinc/24/12/64/501241264.db2.gz SLMPOAXMJQKLRV-CQSZACIVSA-N -1 3 368.455 3.215 20 0 FGADHM Cc1cnc([C@H]([N-]S(=O)(=O)CCOCc2ccccc2)C2CC2)s1 ZINC000451243424 501254418 /nfs/dbraw/zinc/25/44/18/501254418.db2.gz BRUUJRLIRGHMQK-MRXNPFEDSA-N -1 3 366.508 3.039 20 0 FGADHM CCc1nn(C)cc1C[N-]S(=O)(=O)c1sc2ccccc2c1Cl ZINC000451368485 501276772 /nfs/dbraw/zinc/27/67/72/501276772.db2.gz LKOYWFVRNSUTGR-UHFFFAOYSA-N -1 3 369.899 3.329 20 0 FGADHM CCc1ccc([O-])c(C(=O)NC[C@@H]2CCN(c3cccc(OC)c3)C2)c1 ZINC000588230115 506243829 /nfs/dbraw/zinc/24/38/29/506243829.db2.gz UKOKSJQVCWCWKR-INIZCTEOSA-N -1 3 354.450 3.220 20 0 FGADHM CCOc1cc(-c2noc(CCOc3cccc(OC)c3)n2)ccc1[O-] ZINC000453164922 501282449 /nfs/dbraw/zinc/28/24/49/501282449.db2.gz OWPJQXWQYLTMJY-UHFFFAOYSA-N -1 3 356.378 3.471 20 0 FGADHM COC(=O)c1ncccc1S(=O)(=O)[N-][C@@H]1CCC[C@H](C(C)(C)C)CC1 ZINC000451431470 501292538 /nfs/dbraw/zinc/29/25/38/501292538.db2.gz KDCYDLQQISASEB-UONOGXRCSA-N -1 3 368.499 3.142 20 0 FGADHM COCC1(CC[N-]S(=O)(=O)c2ccc3ccccc3c2F)CCC1 ZINC000451577156 501329251 /nfs/dbraw/zinc/32/92/51/501329251.db2.gz ADTQXLIMABHZIS-UHFFFAOYSA-N -1 3 351.443 3.464 20 0 FGADHM CC(C)c1nc(C[N-]S(=O)(=O)c2csc3ccc(Cl)cc23)n[nH]1 ZINC000451679978 501349450 /nfs/dbraw/zinc/34/94/50/501349450.db2.gz PYIZXRPFGOAPPS-UHFFFAOYSA-N -1 3 370.887 3.275 20 0 FGADHM O=C(Cc1ccc([O-])c(F)c1)N1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000451686882 501350465 /nfs/dbraw/zinc/35/04/65/501350465.db2.gz AJRJOEGLVQNOTB-ZHALLVOQSA-N -1 3 355.409 3.105 20 0 FGADHM CC[C@@H]([N-]S(=O)(=O)c1c(Cl)ccc2ccccc21)[C@@H](O)C(F)F ZINC000451713278 501358300 /nfs/dbraw/zinc/35/83/00/501358300.db2.gz OGFLKIOVKOMMCO-CHWSQXEVSA-N -1 3 363.813 3.176 20 0 FGADHM CCOc1ccncc1S(=O)(=O)[N-][C@H]1CCCC[C@H]1CC(F)(F)F ZINC000451720930 501359161 /nfs/dbraw/zinc/35/91/61/501359161.db2.gz OETOXBNOEDKYSV-RYUDHWBXSA-N -1 3 366.405 3.270 20 0 FGADHM CC(C)=CCC[C@@H](C)[N-]S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC000451743325 501364165 /nfs/dbraw/zinc/36/41/65/501364165.db2.gz TZIGIGUQRBJZTQ-GFCCVEGCSA-N -1 3 354.447 3.124 20 0 FGADHM CC(C)[C@]1(C)C[C@H]1NC(=O)Cc1csc(NC(=O)c2cccc([O-])c2)n1 ZINC000458101832 501372867 /nfs/dbraw/zinc/37/28/67/501372867.db2.gz BZRCYWRQJRWGHV-BEFAXECRSA-N -1 3 373.478 3.194 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@H]2C[C@]2(C)C(C)C)c1 ZINC000458127790 501377072 /nfs/dbraw/zinc/37/70/72/501377072.db2.gz MOMZTWSBOTUGBZ-QFBILLFUSA-N -1 3 357.410 3.105 20 0 FGADHM CC[C@@H]1C[C@H]1C[N-]S(=O)(=O)c1cc(Cl)ccc1OCCCOC ZINC000451820304 501379732 /nfs/dbraw/zinc/37/97/32/501379732.db2.gz ABGGHXFVBTVTKZ-OLZOCXBDSA-N -1 3 361.891 3.080 20 0 FGADHM COC(=O)c1c(C)csc1[N-]C(=O)C(=O)Nc1ccc2c(c1)CCCC2 ZINC000453826100 501408298 /nfs/dbraw/zinc/40/82/98/501408298.db2.gz DMKKFVLJGLVOAJ-UHFFFAOYSA-N -1 3 372.446 3.299 20 0 FGADHM CCCc1ncc(C[N-]S(=O)(=O)c2cccc(C)c2Br)o1 ZINC000451960574 501409257 /nfs/dbraw/zinc/40/92/57/501409257.db2.gz PUMMZNMZCWQYSY-UHFFFAOYSA-N -1 3 373.272 3.177 20 0 FGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@H](C)[C@H](OC)C2CC2)cc1Cl ZINC000451996412 501415148 /nfs/dbraw/zinc/41/51/48/501415148.db2.gz SAOFHYCWXFXYSE-CLAHSXSESA-N -1 3 368.282 3.094 20 0 FGADHM Cc1cccc(S(=O)(=O)[N-][C@H](c2cccs2)C2(CO)CCC2)c1F ZINC000452098075 501434677 /nfs/dbraw/zinc/43/46/77/501434677.db2.gz YXRWDXQEBVDULO-MRXNPFEDSA-N -1 3 369.483 3.378 20 0 FGADHM CC1(C)CN(C(=O)NCc2ccc([O-])c(F)c2)C[C@](C)(C(F)(F)F)O1 ZINC000458414871 501439934 /nfs/dbraw/zinc/43/99/34/501439934.db2.gz LJYATQAOENDSOH-OAHLLOKOSA-N -1 3 364.339 3.173 20 0 FGADHM O=C(Cc1ccc(Br)cc1[O-])N1C[C@H](C2CC2)[C@H]1C1CC1 ZINC000456260137 501483279 /nfs/dbraw/zinc/48/32/79/501483279.db2.gz RVQCFCWEHXFFIO-RHSMWYFYSA-N -1 3 350.256 3.344 20 0 FGADHM Cc1nc(-c2ccc(NC(=O)N(C)[C@@H](CO)CC(C)(C)C)cc2)cc(=O)[n-]1 ZINC000454317932 501512365 /nfs/dbraw/zinc/51/23/65/501512365.db2.gz INMRUIHSJKFZDK-MRXNPFEDSA-N -1 3 372.469 3.418 20 0 FGADHM Cc1nc(-c2ccc(NC(=O)NCC(C)(C)C(C)(C)O)cc2)cc(=O)[n-]1 ZINC000454337879 501517878 /nfs/dbraw/zinc/51/78/78/501517878.db2.gz IKKFAZNYBVUEJO-UHFFFAOYSA-N -1 3 358.442 3.076 20 0 FGADHM O=C(Cc1ccc([O-])c(F)c1)N[C@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000452530510 501518762 /nfs/dbraw/zinc/51/87/62/501518762.db2.gz FBAGNEOEQQSFEY-OAHLLOKOSA-N -1 3 371.330 3.333 20 0 FGADHM C[C@@H](F)CCNC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000458867513 501548740 /nfs/dbraw/zinc/54/87/40/501548740.db2.gz BWMFEHCJKUCNGF-LLVKDONJSA-N -1 3 371.840 3.154 20 0 FGADHM CO[C@@H]([C@H](C)NC(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1)C1CC1 ZINC000456563787 501548811 /nfs/dbraw/zinc/54/88/11/501548811.db2.gz MULIUGARFUCPOE-RBZFPXEDSA-N -1 3 353.418 3.167 20 0 FGADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000452744151 501554662 /nfs/dbraw/zinc/55/46/62/501554662.db2.gz BYNNYPJQGRARBP-JTQLQIEISA-N -1 3 369.259 3.049 20 0 FGADHM Cc1csc(CNC(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)c1 ZINC000458996688 501574169 /nfs/dbraw/zinc/57/41/69/501574169.db2.gz HDACLTHWTJVBOM-UHFFFAOYSA-N -1 3 373.478 3.322 20 0 FGADHM O=C(CCc1ccc2ccccc2c1[O-])N1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000456727828 501587687 /nfs/dbraw/zinc/58/76/87/501587687.db2.gz ZXLCUQUBSMRJSW-RDTXWAMCSA-N -1 3 367.367 3.250 20 0 FGADHM CN(C(=O)c1ccc2c(c1[O-])CCCC2)C1CCN(CC(F)(F)F)CC1 ZINC000456928461 501621033 /nfs/dbraw/zinc/62/10/33/501621033.db2.gz FCTYVIMHZNBMOV-UHFFFAOYSA-N -1 3 370.415 3.370 20 0 FGADHM CC(C)(C)OC(=O)[C@@H]1CCN(Cc2cc(=O)[n-]c(-c3ccccc3)n2)C1 ZINC000459341581 501634934 /nfs/dbraw/zinc/63/49/34/501634934.db2.gz JYNSQWTWYBZWTH-OAHLLOKOSA-N -1 3 355.438 3.013 20 0 FGADHM CC[C@@H]1CN(C(C)=O)[C@@H](CC)CN1Cc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000459357272 501638379 /nfs/dbraw/zinc/63/83/79/501638379.db2.gz MBNIVRBFANWTSH-MOPGFXCFSA-N -1 3 368.481 3.071 20 0 FGADHM O=C(C[C@H]1CCCN1Cc1cc(=O)[n-]c(C2CC2)n1)c1ccc(F)cc1 ZINC000459359524 501638824 /nfs/dbraw/zinc/63/88/24/501638824.db2.gz CEHBZYWNXPYGPQ-QGZVFWFLSA-N -1 3 355.413 3.436 20 0 FGADHM O=c1cc(CN(CC(F)(F)F)[C@@H]2CCOC2)nc(-c2ccccc2)[n-]1 ZINC000459387654 501644301 /nfs/dbraw/zinc/64/43/01/501644301.db2.gz JOTSMNVUYPMCJI-CQSZACIVSA-N -1 3 353.344 3.002 20 0 FGADHM Cc1csc([C@H]2COCCN2Cc2cc(=O)[n-]c(-c3ccccc3)n2)n1 ZINC000459422037 501651187 /nfs/dbraw/zinc/65/11/87/501651187.db2.gz FLTZZOVCIUNQHW-MRXNPFEDSA-N -1 3 368.462 3.188 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N3CC(C)(CC(F)(F)F)C3)c[n-]c12 ZINC000457120804 501654278 /nfs/dbraw/zinc/65/42/78/501654278.db2.gz PBVVGQWPSBVABQ-UHFFFAOYSA-N -1 3 356.319 3.390 20 0 FGADHM COc1cc(C(=O)N2CCC3(CC2)OCCc2ccccc23)ccc1[O-] ZINC000457142239 501657593 /nfs/dbraw/zinc/65/75/93/501657593.db2.gz POOAEERZEJYBDQ-UHFFFAOYSA-N -1 3 353.418 3.105 20 0 FGADHM [O-]c1cccc(CNCCOCC(F)(F)C(F)F)c1Br ZINC000459504418 501665654 /nfs/dbraw/zinc/66/56/54/501665654.db2.gz IMVKGISMJKUUJD-UHFFFAOYSA-N -1 3 360.145 3.161 20 0 FGADHM O=c1cc(CN2CC3(CCC3)[C@H]2[C@H]2CCCO2)nc(-c2ccccc2)[n-]1 ZINC000459511009 501667084 /nfs/dbraw/zinc/66/70/84/501667084.db2.gz ZQFWEZGVTZRGMP-IEBWSBKVSA-N -1 3 351.450 3.383 20 0 FGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@@]1(C)CCCC[C@H]1C ZINC000457278912 501675612 /nfs/dbraw/zinc/67/56/12/501675612.db2.gz YRCVQOQXKSNREJ-SZNDQCEHSA-N -1 3 368.481 3.158 20 0 FGADHM COc1ccc(CN[C@@H]2C[C@@H](OC)C23CCC3)c(Br)c1[O-] ZINC000459795434 501715451 /nfs/dbraw/zinc/71/54/51/501715451.db2.gz VGLVCSCMAMESSZ-CHWSQXEVSA-N -1 3 356.260 3.211 20 0 FGADHM O=C(Cc1cn2ccsc2n1)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000485129687 501731516 /nfs/dbraw/zinc/73/15/16/501731516.db2.gz AOECWPJMUVWTBY-UHFFFAOYSA-N -1 3 364.390 3.108 20 0 FGADHM CC(C)Cc1nnc(NC(=O)Cc2ccc(Br)cc2[O-])s1 ZINC000477602749 501734655 /nfs/dbraw/zinc/73/46/55/501734655.db2.gz AIEGEHNAQBQDEQ-UHFFFAOYSA-N -1 3 370.272 3.386 20 0 FGADHM CC(C)(C)OC(=O)c1cccc(CNC(=O)N=c2cc3ccccn3[n-]2)c1 ZINC000588320187 506270234 /nfs/dbraw/zinc/27/02/34/506270234.db2.gz AYPJENZREZCYPH-UHFFFAOYSA-N -1 3 366.421 3.033 20 0 FGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000470599493 501739911 /nfs/dbraw/zinc/73/99/11/501739911.db2.gz JBQCIUPSKBKHDS-NILFDRSVSA-N -1 3 369.870 3.486 20 0 FGADHM CC(=O)NCc1ccc(S(=O)(=O)[N-][C@@H](C)[C@@H](C)C2CCCCC2)s1 ZINC000481338817 501748536 /nfs/dbraw/zinc/74/85/36/501748536.db2.gz LVGHURMFIBTJMN-OLZOCXBDSA-N -1 3 372.556 3.267 20 0 FGADHM CCOc1ccc(C(=O)CCC(=O)NCc2ccc([O-])c(F)c2)cc1F ZINC000474238687 501755862 /nfs/dbraw/zinc/75/58/62/501755862.db2.gz MRXDPZCRJICTGO-UHFFFAOYSA-N -1 3 363.360 3.348 20 0 FGADHM O=c1[n-]c(CN2CCc3ccccc3[C@H]2CO)nc2c3ccccc3oc21 ZINC000474266079 501767585 /nfs/dbraw/zinc/76/75/85/501767585.db2.gz LTSACUDEBUHIEO-MRXNPFEDSA-N -1 3 361.401 3.173 20 0 FGADHM CC(C)(C)[C@H]1CCC[C@@H](NC(=O)c2cncc([N-]S(C)(=O)=O)c2)CC1 ZINC000474271004 501768263 /nfs/dbraw/zinc/76/82/63/501768263.db2.gz QJODUZUOYCZLBJ-LSDHHAIUSA-N -1 3 367.515 3.178 20 0 FGADHM CC(C)(C)[C@H]1CCC[C@H](NC(=O)c2cncc([N-]S(C)(=O)=O)c2)CC1 ZINC000474271002 501768773 /nfs/dbraw/zinc/76/87/73/501768773.db2.gz QJODUZUOYCZLBJ-GJZGRUSLSA-N -1 3 367.515 3.178 20 0 FGADHM Cc1cccc(CS(=O)(=O)[N-][C@H](CO)c2c(Cl)cccc2Cl)c1 ZINC000481464732 501783360 /nfs/dbraw/zinc/78/33/60/501783360.db2.gz MQDLCANYKIZQGA-OAHLLOKOSA-N -1 3 374.289 3.455 20 0 FGADHM CCOc1nc(C)ccc1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000477782408 501785426 /nfs/dbraw/zinc/78/54/26/501785426.db2.gz KBIQCUBWYRCRSK-UHFFFAOYSA-N -1 3 365.227 3.187 20 0 FGADHM C[C@@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)c1ccc(Br)cn1 ZINC000477786939 501786546 /nfs/dbraw/zinc/78/65/46/501786546.db2.gz VTAPIUJPDAWPTI-SNVBAGLBSA-N -1 3 372.222 3.177 20 0 FGADHM CNC(=O)c1ccc(Cl)c([N-]C(=O)c2cc(-c3ccccn3)no2)c1 ZINC000474375443 501812062 /nfs/dbraw/zinc/81/20/62/501812062.db2.gz UPKSGLWAPOQULH-UHFFFAOYSA-N -1 3 356.769 3.002 20 0 FGADHM Cc1nc(C2([N-]S(=O)(=O)c3c(C)cc(F)cc3C)CCCCC2)no1 ZINC000485428138 501818202 /nfs/dbraw/zinc/81/82/02/501818202.db2.gz AZPXAYHMFLSVRU-UHFFFAOYSA-N -1 3 367.446 3.272 20 0 FGADHM CCOc1cc(Br)ccc1NC(=O)c1ccc(C(=O)OC)[n-]1 ZINC000477935995 501833392 /nfs/dbraw/zinc/83/33/92/501833392.db2.gz LEPJYMLHTFGYTN-UHFFFAOYSA-N -1 3 367.199 3.215 20 0 FGADHM CN(C)Cc1cccc(C(=O)N=c2cc(-c3cc(F)cc(F)c3)[n-][nH]2)c1 ZINC000467717894 501853176 /nfs/dbraw/zinc/85/31/76/501853176.db2.gz ILUZOGLCINNPIW-UHFFFAOYSA-N -1 3 356.376 3.091 20 0 FGADHM COc1ccc(O[C@@H](C)C(=O)N=c2cc(-c3cc(F)cc(F)c3)[n-][nH]2)cc1 ZINC000467719791 501854648 /nfs/dbraw/zinc/85/46/48/501854648.db2.gz GELULMVGECNNIZ-NSHDSACASA-N -1 3 373.359 3.191 20 0 FGADHM CC[C@@H](C)C[C@H](C)NC(=O)c1cc(C(C)C)nc2c1c(=O)[n-]c(=O)n2CC ZINC000463922432 501854834 /nfs/dbraw/zinc/85/48/34/501854834.db2.gz WANFMBIPSHANIQ-OLZOCXBDSA-N -1 3 374.485 3.195 20 0 FGADHM O=c1[n-]c(CN2CCOCc3ccccc32)nc2c1cnn2-c1ccccc1 ZINC000470938299 501861653 /nfs/dbraw/zinc/86/16/53/501861653.db2.gz UWTGXFPROJKUJX-UHFFFAOYSA-N -1 3 373.416 3.058 20 0 FGADHM COC(=O)c1cc(F)cc([N-]C(=O)c2cc3c(C)nn(C)c3s2)c1F ZINC000478061084 501868429 /nfs/dbraw/zinc/86/84/29/501868429.db2.gz PSJDDVRVNGOBTG-UHFFFAOYSA-N -1 3 365.361 3.260 20 0 FGADHM COC(=O)c1cc(F)cc([N-]C(=O)c2sc([C@H](C)OC)nc2C)c1F ZINC000478091520 501878411 /nfs/dbraw/zinc/87/84/11/501878411.db2.gz ZIBODLUGCXBZPG-QMMMGPOBSA-N -1 3 370.377 3.476 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(CN(C)C)c(Cl)c2)cc1F ZINC000481864367 501902569 /nfs/dbraw/zinc/90/25/69/501902569.db2.gz GEGSDOXADBLKFT-UHFFFAOYSA-N -1 3 372.849 3.350 20 0 FGADHM COC(=O)c1csc(-c2cccc(CNC(=O)c3cccc([O-])c3)c2)n1 ZINC000481889150 501909926 /nfs/dbraw/zinc/90/99/26/501909926.db2.gz OYEOTMLBMWDOAV-UHFFFAOYSA-N -1 3 368.414 3.232 20 0 FGADHM O=c1[n-]c(-c2cnc(OCC(F)(F)F)cn2)nc2cc(Cl)ccc12 ZINC000478214834 501911990 /nfs/dbraw/zinc/91/19/90/501911990.db2.gz VSFQJXOGASJKFH-UHFFFAOYSA-N -1 3 356.691 3.387 20 0 FGADHM COc1ccccc1C(=O)C[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000464189095 501917344 /nfs/dbraw/zinc/91/73/44/501917344.db2.gz GFPPZVUFQMVGRN-UHFFFAOYSA-N -1 3 374.245 3.163 20 0 FGADHM CCCOc1ccc(C(=O)C[N-]S(=O)(=O)c2ccc(C)cc2F)cc1 ZINC000464195570 501918699 /nfs/dbraw/zinc/91/86/99/501918699.db2.gz XCXHPTOTBHIEKX-UHFFFAOYSA-N -1 3 365.426 3.084 20 0 FGADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)NCc1ccc2sccc2c1 ZINC000460829719 501931863 /nfs/dbraw/zinc/93/18/63/501931863.db2.gz OMFKYXUAECHJRM-UHFFFAOYSA-N -1 3 355.345 3.038 20 0 FGADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)NCc1ccc2sccc2c1 ZINC000460829719 501931864 /nfs/dbraw/zinc/93/18/64/501931864.db2.gz OMFKYXUAECHJRM-UHFFFAOYSA-N -1 3 355.345 3.038 20 0 FGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)NCc1ccc2sccc2c1 ZINC000460829719 501931869 /nfs/dbraw/zinc/93/18/69/501931869.db2.gz OMFKYXUAECHJRM-UHFFFAOYSA-N -1 3 355.345 3.038 20 0 FGADHM CCc1ncc(S(=O)(=O)[N-][C@H](C)[C@H](OC)c2ccc(Cl)cc2)s1 ZINC000460948694 501967816 /nfs/dbraw/zinc/96/78/16/501967816.db2.gz KILMKSXDCRRYCG-BMIGLBTASA-N -1 3 374.915 3.413 20 0 FGADHM CCc1cc(C(=O)Nc2ccccc2OCCn2ccnc2)ccc1[O-] ZINC000485883531 501975167 /nfs/dbraw/zinc/97/51/67/501975167.db2.gz PAINBNJZEWLBGX-UHFFFAOYSA-N -1 3 351.406 3.482 20 0 FGADHM Cc1cc(CS(=O)(=O)[N-][C@H]2CCSc3ccc(Cl)cc32)on1 ZINC000485889869 501977396 /nfs/dbraw/zinc/97/73/96/501977396.db2.gz QIFWZECZCPKBQD-ZDUSSCGKSA-N -1 3 358.872 3.293 20 0 FGADHM C[C@@H](C1CCC1)N(C)C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482180825 502000704 /nfs/dbraw/zinc/00/07/04/502000704.db2.gz DAXVDBJGXSVTPV-JTQLQIEISA-N -1 3 351.248 3.171 20 0 FGADHM O=C(NCc1ccc(-c2nc3ccccc3[nH]2)cc1)c1csc(=O)[n-]1 ZINC000471384494 502007407 /nfs/dbraw/zinc/00/74/07/502007407.db2.gz ZGOOMATVEBJZRR-UHFFFAOYSA-N -1 3 350.403 3.322 20 0 FGADHM CCN(C(=O)CNC(=O)c1cccc([O-])c1)[C@H](C)c1cc2ccccc2o1 ZINC000471388052 502007521 /nfs/dbraw/zinc/00/75/21/502007521.db2.gz NEOCEGOFWVCDLV-CQSZACIVSA-N -1 3 366.417 3.478 20 0 FGADHM CSCC[C@H](C)N(C)C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482209423 502008473 /nfs/dbraw/zinc/00/84/73/502008473.db2.gz LAISMBCBMHKYQF-JTQLQIEISA-N -1 3 371.304 3.124 20 0 FGADHM COc1cc(C(=O)NCCc2cccc(OCC(F)(F)F)c2)ccc1[O-] ZINC000478527138 502009218 /nfs/dbraw/zinc/00/92/18/502009218.db2.gz MTAQJFMLQVUKFB-UHFFFAOYSA-N -1 3 369.339 3.314 20 0 FGADHM CCc1cc(C(=O)N(CC(=O)OC)Cc2ccc(Cl)cc2)ccc1[O-] ZINC000486046219 502029754 /nfs/dbraw/zinc/02/97/54/502029754.db2.gz FBEABNOQIPGFOZ-UHFFFAOYSA-N -1 3 361.825 3.423 20 0 FGADHM O=c1cc(C=Cc2cc(Cl)c3c(c2)OCCO3)nc(-c2ccncc2)[n-]1 ZINC000486050673 502031253 /nfs/dbraw/zinc/03/12/53/502031253.db2.gz HRQUUVOHAGRZFC-OWOJBTEDSA-N -1 3 367.792 3.427 20 0 FGADHM CCOc1cccc(CC[N-]S(=O)(=O)c2cc(Cl)ccc2OC)c1 ZINC000486080963 502039739 /nfs/dbraw/zinc/03/97/39/502039739.db2.gz SCAKJUXUARDMDY-UHFFFAOYSA-N -1 3 369.870 3.268 20 0 FGADHM Cn1[n-]c(-c2ccccc2Cl)nc1=NC(=O)c1ccc2c(c1)CCC2 ZINC000461239216 502049534 /nfs/dbraw/zinc/04/95/34/502049534.db2.gz QJRFKLUIRKAIHG-UHFFFAOYSA-N -1 3 352.825 3.298 20 0 FGADHM Cc1cc(C(=O)N(C)Cc2ccc(Br)cc2Cl)[n-]c(=O)n1 ZINC000482361543 502051420 /nfs/dbraw/zinc/05/14/20/502051420.db2.gz UYTCFUOABVTOBN-UHFFFAOYSA-N -1 3 370.634 3.179 20 0 FGADHM Cc1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1NC(=O)N(C)C ZINC000478676341 502053113 /nfs/dbraw/zinc/05/31/13/502053113.db2.gz KDMFLKYWATUTQF-UHFFFAOYSA-N -1 3 365.430 3.337 20 0 FGADHM Cc1ccc(F)c(C(=O)[N-]c2ncn(C(C)(C)C)n2)c1Br ZINC000486122048 502053845 /nfs/dbraw/zinc/05/38/45/502053845.db2.gz NWAOMIKIWHPXCQ-UHFFFAOYSA-N -1 3 355.211 3.495 20 0 FGADHM CCc1cc(C(=O)N(Cc2ccccc2)C[C@H](C)C(=O)OC)ccc1[O-] ZINC000486125289 502054850 /nfs/dbraw/zinc/05/48/50/502054850.db2.gz HZYAUHRTMBEZBC-HNNXBMFYSA-N -1 3 355.434 3.406 20 0 FGADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)Nc1ccc2ncsc2c1 ZINC000478752159 502075872 /nfs/dbraw/zinc/07/58/72/502075872.db2.gz YJCZMONQAUHFFI-UHFFFAOYSA-N -1 3 365.418 3.413 20 0 FGADHM CN1CCN(C(=O)CCCc2ccc([O-])c(F)c2)[C@H](c2ccccc2)C1 ZINC000468518770 502088742 /nfs/dbraw/zinc/08/87/42/502088742.db2.gz QJEXYUAMMCADQV-IBGZPJMESA-N -1 3 356.441 3.369 20 0 FGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]CCc1csc(C(C)C)n1 ZINC000486249534 502099720 /nfs/dbraw/zinc/09/97/20/502099720.db2.gz JJQLWGBMFXLCET-UHFFFAOYSA-N -1 3 374.915 3.450 20 0 FGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H](C)Oc1ccccc1 ZINC000486249754 502099733 /nfs/dbraw/zinc/09/97/33/502099733.db2.gz JSWGZNQLXKQEFK-GFCCVEGCSA-N -1 3 355.843 3.094 20 0 FGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)NC[C@@H]2CC[C@@H](C)C2)cc1OC ZINC000478909146 502118198 /nfs/dbraw/zinc/11/81/98/502118198.db2.gz LPAWPRNGAVJAFH-CHWSQXEVSA-N -1 3 369.487 3.015 20 0 FGADHM COc1ccc(CN2C[C@@H](C)O[C@@H](C3CC3)C2)c(Br)c1[O-] ZINC000475295403 502123594 /nfs/dbraw/zinc/12/35/94/502123594.db2.gz IEZZLEKZBPFMLR-QMTHXVAHSA-N -1 3 356.260 3.163 20 0 FGADHM O=C(C[C@H]1C=CCC1)Nc1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1F 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FGADHM C[C@]([N-]S(=O)(=O)c1ccc2ncsc2c1)(C1CC1)C(F)(F)F ZINC000479154024 502177631 /nfs/dbraw/zinc/17/76/31/502177631.db2.gz LHAUEZASSWVRNY-LBPRGKRZSA-N -1 3 350.387 3.306 20 0 FGADHM COCCC[C@H](Cc1ccccc1)NC(=O)NCc1ccc([O-])c(F)c1 ZINC000471941008 502178349 /nfs/dbraw/zinc/17/83/49/502178349.db2.gz PRSRUWDAXPDGHI-QGZVFWFLSA-N -1 3 360.429 3.368 20 0 FGADHM O=C(NCc1ccc(-c2ccc3c(c2)CCO3)cc1)c1csc(=O)[n-]1 ZINC000471954614 502182781 /nfs/dbraw/zinc/18/27/81/502182781.db2.gz NFXGFISGTFDQJX-UHFFFAOYSA-N -1 3 352.415 3.381 20 0 FGADHM COc1cc(Cl)ccc1CN1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000482801142 502184474 /nfs/dbraw/zinc/18/44/74/502184474.db2.gz BVSGIFKIMGASDU-UHFFFAOYSA-N -1 3 360.841 3.012 20 0 FGADHM COC(=O)c1cc([N-]C(=O)c2oc(CC3CC3)nc2C)c(F)cc1F ZINC000475489783 502188195 /nfs/dbraw/zinc/18/81/95/502188195.db2.gz VVAAGDZKHPJCBG-UHFFFAOYSA-N -1 3 350.321 3.253 20 0 FGADHM CC(C)[C@H](CNC(=O)NCc1nnc(C(F)(F)F)[n-]1)c1ccccc1 ZINC000482837740 502193556 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COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CCCc2c(O)cccc21 ZINC000487376279 502430092 /nfs/dbraw/zinc/43/00/92/502430092.db2.gz IVEPPLOXRGYALH-AWEZNQCLSA-N -1 3 367.854 3.410 20 0 FGADHM C[C@]1(c2ccccc2)CCCN(C(=O)NCc2nnc(C(F)(F)F)[n-]2)C1 ZINC000483555019 502430106 /nfs/dbraw/zinc/43/01/06/502430106.db2.gz DCWJTNWEBXHFIM-INIZCTEOSA-N -1 3 367.375 3.087 20 0 FGADHM C[C@]1(c2ccccc2)CCCN(C(=O)NCc2n[n-]c(C(F)(F)F)n2)C1 ZINC000483555019 502430107 /nfs/dbraw/zinc/43/01/07/502430107.db2.gz DCWJTNWEBXHFIM-INIZCTEOSA-N -1 3 367.375 3.087 20 0 FGADHM C[C@]1(c2ccccc2)CCCN(C(=O)NCc2nc(C(F)(F)F)n[n-]2)C1 ZINC000483555019 502430108 /nfs/dbraw/zinc/43/01/08/502430108.db2.gz DCWJTNWEBXHFIM-INIZCTEOSA-N -1 3 367.375 3.087 20 0 FGADHM COC[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1F)c1ccc(Cl)cc1 ZINC000487387727 502430912 /nfs/dbraw/zinc/43/09/12/502430912.db2.gz HHCKLHQMQNJPTJ-CQSZACIVSA-N -1 3 361.797 3.284 20 0 FGADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1ccc2nc(-c3ccccc3)oc2c1 ZINC000476295579 502446154 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C[C@H]1C[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)CCN1C ZINC000462499354 502466931 /nfs/dbraw/zinc/46/69/31/502466931.db2.gz HSYVESLZPZACBL-VHSXEESVSA-N -1 3 370.824 3.120 20 0 FGADHM COc1ccc(CC[C@@H](C)[N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)cc1 ZINC000462504506 502467395 /nfs/dbraw/zinc/46/73/95/502467395.db2.gz ALTPCYJVIXJAKZ-LLVKDONJSA-N -1 3 373.396 3.412 20 0 FGADHM CCc1cc(C(=O)N(Cc2ccccc2)C[C@@]2(O)CCO[C@H]2C)ccc1[O-] ZINC000487550858 502476700 /nfs/dbraw/zinc/47/67/00/502476700.db2.gz KXBJZNHIGFZDSV-AOMKIAJQSA-N -1 3 369.461 3.137 20 0 FGADHM Cc1[n-][nH]c(=O)c1CCNC(=O)C[C@@H](Cc1ccccc1)c1ccccc1 ZINC000607907587 506315942 /nfs/dbraw/zinc/31/59/42/506315942.db2.gz PYJHRXGWDXBXGL-WOJBJXKFSA-N -1 3 363.461 3.031 20 0 FGADHM C[C@@H](NC(=O)c1cc([O-])ccc1C(F)(F)F)C(=O)Cc1ccccc1 ZINC000476418849 502484725 /nfs/dbraw/zinc/48/47/25/502484725.db2.gz OPVRUSXJUFQMTQ-LLVKDONJSA-N -1 3 351.324 3.341 20 0 FGADHM COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-]CC1(C2CC2)CC1 ZINC000476434699 502487269 /nfs/dbraw/zinc/48/72/69/502487269.db2.gz JOKBGBDGEUVARZ-UHFFFAOYSA-N -1 3 373.902 3.224 20 0 FGADHM CCOC(=O)[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)[C@H](C)CC ZINC000462566386 502489085 /nfs/dbraw/zinc/48/90/85/502489085.db2.gz SINJXXBKXKOABS-NOZJJQNGSA-N -1 3 368.282 3.250 20 0 FGADHM Cn1cc(C(=O)CCC(=O)Nc2cc(Cc3ccccc3)ccc2[O-])cn1 ZINC000476458337 502493740 /nfs/dbraw/zinc/49/37/40/502493740.db2.gz MLSWUXRKVQXSOK-UHFFFAOYSA-N -1 3 363.417 3.318 20 0 FGADHM CCc1c([N-]S(=O)(=O)N(C)CC2CC2)cnn1-c1cccc(Cl)c1 ZINC000480199207 502498832 /nfs/dbraw/zinc/49/88/32/502498832.db2.gz PZUQHVMSIVOREN-UHFFFAOYSA-N -1 3 368.890 3.087 20 0 FGADHM O=C(Cc1ccc([O-])cc1Cl)N1CCC(CO)(c2ccccc2)CC1 ZINC000480206242 502502124 /nfs/dbraw/zinc/50/21/24/502502124.db2.gz ZMSPGWZTQUXADE-UHFFFAOYSA-N -1 3 359.853 3.141 20 0 FGADHM CCOc1nc2cc(C(=O)N[C@@H](C)c3nc(C(C)(C)C)no3)ccc2[n-]1 ZINC000469711350 502511605 /nfs/dbraw/zinc/51/16/05/502511605.db2.gz CLEFIBUFOZJVFA-JTQLQIEISA-N -1 3 357.414 3.133 20 0 FGADHM CCOc1nc2ccc(C(=O)N[C@@H](C)c3nc(C(C)(C)C)no3)cc2[n-]1 ZINC000469711350 502511610 /nfs/dbraw/zinc/51/16/10/502511610.db2.gz CLEFIBUFOZJVFA-JTQLQIEISA-N -1 3 357.414 3.133 20 0 FGADHM CCOc1nc2cc(C(=O)N[C@@H](C)c3nc4ccccc4n3C)ccc2[n-]1 ZINC000469711489 502511861 /nfs/dbraw/zinc/51/18/61/502511861.db2.gz VEJYJMIWMLJEHP-LBPRGKRZSA-N -1 3 363.421 3.339 20 0 FGADHM CCOc1nc2ccc(C(=O)N[C@@H](C)c3nc4ccccc4n3C)cc2[n-]1 ZINC000469711489 502511864 /nfs/dbraw/zinc/51/18/64/502511864.db2.gz VEJYJMIWMLJEHP-LBPRGKRZSA-N -1 3 363.421 3.339 20 0 FGADHM CCOc1nc2ccc(C(=O)N3CCOC[C@H]3c3ccc(CC)o3)cc2[n-]1 ZINC000469716550 502514494 /nfs/dbraw/zinc/51/44/94/502514494.db2.gz UPQNKMONLKSBNO-KRWDZBQOSA-N -1 3 369.421 3.331 20 0 FGADHM CCOc1nc2cc(C(=O)N3CCOC[C@H]3c3ccc(CC)o3)ccc2[n-]1 ZINC000469716550 502514501 /nfs/dbraw/zinc/51/45/01/502514501.db2.gz UPQNKMONLKSBNO-KRWDZBQOSA-N -1 3 369.421 3.331 20 0 FGADHM COc1ccc([C@@H](OC)[C@@H](C)[N-]S(=O)(=O)c2c(C)cccc2F)cc1 ZINC000476532187 502516337 /nfs/dbraw/zinc/51/63/37/502516337.db2.gz IMAVSKWWEVMUBU-DYVFJYSZSA-N -1 3 367.442 3.197 20 0 FGADHM O=C(Nc1ccc2c(c1)CCO2)[C@@H]1CCCCN1Cc1cc([O-])cc(F)c1 ZINC000473149416 502529487 /nfs/dbraw/zinc/52/94/87/502529487.db2.gz SVQZWYHMQIOGCP-IBGZPJMESA-N -1 3 370.424 3.459 20 0 FGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)CCc2ccccc2F)c1 ZINC000607915303 506319014 /nfs/dbraw/zinc/31/90/14/506319014.db2.gz WVGLOMKMWRRVKT-UHFFFAOYSA-N -1 3 350.415 3.077 20 0 FGADHM CCc1cnc(CNC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)s1 ZINC000466335170 502540079 /nfs/dbraw/zinc/54/00/79/502540079.db2.gz SVPFIABATXYXSO-UHFFFAOYSA-N -1 3 369.450 3.498 20 0 FGADHM C[C@H](C[N-]S(=O)(=O)c1cc(F)ccc1Cl)Oc1cccc(F)c1 ZINC000462708332 502541629 /nfs/dbraw/zinc/54/16/29/502541629.db2.gz RQSUJIBWAHGPCR-SNVBAGLBSA-N -1 3 361.797 3.364 20 0 FGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CC[C@H]3CCC[C@@H]3C2)c(Cl)c1 ZINC000462711110 502543875 /nfs/dbraw/zinc/54/38/75/502543875.db2.gz YTBPXZRSEFJEFS-YRGRVCCFSA-N -1 3 371.886 3.374 20 0 FGADHM CCC(C)(C)CNC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000473224503 502546468 /nfs/dbraw/zinc/54/64/68/502546468.db2.gz PAKNBOMHIIROGD-UHFFFAOYSA-N -1 3 366.405 3.243 20 0 FGADHM Cc1nc(S(=O)(=O)[N-][C@H](c2ccc(Cl)cc2)[C@@H]2C[C@@H]2C)cn1C ZINC000462721918 502549706 /nfs/dbraw/zinc/54/97/06/502549706.db2.gz NXCVVPBWDIKYAD-DRZCJDIDSA-N -1 3 353.875 3.058 20 0 FGADHM O=S(=O)([N-]CC1CCN(c2ccccc2)CC1)c1ccc(F)cc1F ZINC000480390210 502554066 /nfs/dbraw/zinc/55/40/66/502554066.db2.gz QPJDDLSIXGUXGA-UHFFFAOYSA-N -1 3 366.433 3.160 20 0 FGADHM CC(C)c1cc(C(=O)N2CCN(C[C@@H](C)O)C[C@@H]2C)c([O-])c(C(C)C)c1 ZINC000476841095 502598526 /nfs/dbraw/zinc/59/85/26/502598526.db2.gz FVLLZANEQQWLCY-JKSUJKDBSA-N -1 3 362.514 3.166 20 0 FGADHM CCC1(CC)CCC(NC(=O)[C@@H](C)[N-]S(=O)(=O)c2cccs2)CC1 ZINC000476843531 502599876 /nfs/dbraw/zinc/59/98/76/502599876.db2.gz GJWWUTGBYCTJOQ-CYBMUJFWSA-N -1 3 372.556 3.280 20 0 FGADHM O=C(c1cc2c(cc(Cl)cc2Cl)[nH]1)N1CCc2c(=O)[n-]cnc2C1 ZINC000480552205 502600245 /nfs/dbraw/zinc/60/02/45/502600245.db2.gz LGPVGKBBAFQEMC-UHFFFAOYSA-N -1 3 363.204 3.169 20 0 FGADHM Cc1nc(S(=O)(=O)[N-]C2(c3ccc(Cl)cc3)CCCC2)cn1C ZINC000476952960 502632161 /nfs/dbraw/zinc/63/21/61/502632161.db2.gz PHOYHBPBCNPRCW-UHFFFAOYSA-N -1 3 353.875 3.130 20 0 FGADHM CCN(C(=O)c1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1)c1cccc(Cl)c1 ZINC000480727716 502655078 /nfs/dbraw/zinc/65/50/78/502655078.db2.gz KGODVIQTDJRIKZ-LJQANCHMSA-N -1 3 371.824 3.061 20 0 FGADHM O=C(CCCc1ccc(Br)s1)NCc1ncccc1[O-] ZINC000473627770 502659061 /nfs/dbraw/zinc/65/90/61/502659061.db2.gz BNMGPBILMPXABZ-UHFFFAOYSA-N -1 3 355.257 3.250 20 0 FGADHM CC(C)(C(=O)NCc1ncccc1[O-])c1ccc(OC(F)(F)F)cc1 ZINC000473635838 502662961 /nfs/dbraw/zinc/66/29/61/502662961.db2.gz BIUIBAKKSKSMCW-UHFFFAOYSA-N -1 3 354.328 3.280 20 0 FGADHM Cc1nc(COc2cccc(C(=O)NCc3ncccc3[O-])c2)cs1 ZINC000473645626 502665449 /nfs/dbraw/zinc/66/54/49/502665449.db2.gz VUVGLCMXQLOUSS-UHFFFAOYSA-N -1 3 355.419 3.061 20 0 FGADHM Cc1nc(S(=O)(=O)[N-]C2(c3cccc(Cl)c3)CCCC2)cn1C ZINC000480838799 502685448 /nfs/dbraw/zinc/68/54/48/502685448.db2.gz CVOHFTWWSPWFJO-UHFFFAOYSA-N -1 3 353.875 3.130 20 0 FGADHM O=S(=O)([N-][C@H]1CCCc2c(O)cccc21)c1cnccc1C(F)(F)F ZINC000480851884 502688925 /nfs/dbraw/zinc/68/89/25/502688925.db2.gz LEZRNUZAMSBPFV-ZDUSSCGKSA-N -1 3 372.368 3.162 20 0 FGADHM CS(=O)(=O)c1cc([N-]C(=O)c2cc(-c3ccco3)on2)ccc1Cl ZINC000477226371 502712462 /nfs/dbraw/zinc/71/24/62/502712462.db2.gz KJHAPDNJHRPQHK-UHFFFAOYSA-N -1 3 366.782 3.244 20 0 FGADHM CC[C@@H](C)n1ncc(NC(=O)CCc2c(C)nc(C)[n-]c2=O)c1C1CC1 ZINC000477244049 502717548 /nfs/dbraw/zinc/71/75/48/502717548.db2.gz MEHKDSVBDKQOOQ-LLVKDONJSA-N -1 3 357.458 3.415 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]c2cc(-c3nc[nH]n3)ccc2F)cc1Cl ZINC000470264107 502719914 /nfs/dbraw/zinc/71/99/14/502719914.db2.gz NZSQRCBORBFIAK-UHFFFAOYSA-N -1 3 366.805 3.373 20 0 FGADHM CC(C)=CCCNC(=O)Cc1csc(NC(=O)c2cccc([O-])c2)n1 ZINC000481001321 502725189 /nfs/dbraw/zinc/72/51/89/502725189.db2.gz CRIGVQWTRGSYBY-UHFFFAOYSA-N -1 3 359.451 3.116 20 0 FGADHM CCOC(=O)c1sc2[n-]c([C@H](C)S[C@H](C)[C@@H](C)O)nc(=O)c2c1C ZINC000463226928 502727798 /nfs/dbraw/zinc/72/77/98/502727798.db2.gz OCEAUAUJMMJPGC-BBBLOLIVSA-N -1 3 370.496 3.033 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]CC2(Sc3ccccc3)CC2)c(F)c1 ZINC000481015591 502728375 /nfs/dbraw/zinc/72/83/75/502728375.db2.gz ROUNQRXAURXTDK-UHFFFAOYSA-N -1 3 367.467 3.438 20 0 FGADHM O=C(Cc1ccc(Br)cc1[O-])Nc1ccc2c(c1)OCO2 ZINC000477309675 502737526 /nfs/dbraw/zinc/73/75/26/502737526.db2.gz PPHMKJPPBIPXRB-UHFFFAOYSA-N -1 3 350.168 3.065 20 0 FGADHM CCCC[C@H](CCC)[N-]S(=O)(=O)c1sc(C(=O)OC)cc1OC ZINC000484794838 502742447 /nfs/dbraw/zinc/74/24/47/502742447.db2.gz JGBRAFFFALLVEO-NSHDSACASA-N -1 3 363.501 3.181 20 0 FGADHM COc1ncnc(OC)c1C(=O)[N-]c1ncc(-c2ccc(C)cc2C)s1 ZINC000470348846 502745463 /nfs/dbraw/zinc/74/54/63/502745463.db2.gz AFVIFTGMGXQREI-UHFFFAOYSA-N -1 3 370.434 3.486 20 0 FGADHM CO[C@]1(C)C[C@H](NC(=O)Cc2ccc(Br)cc2[O-])C1(C)C ZINC000477351629 502750520 /nfs/dbraw/zinc/75/05/20/502750520.db2.gz POSWPPQYTXEFDL-XJKSGUPXSA-N -1 3 356.260 3.017 20 0 FGADHM CCCCC[C@H]1CCCN1C(=O)Nc1ccc(C[C@H]2NC(=O)[N-]C2=O)cc1 ZINC000481095528 502752502 /nfs/dbraw/zinc/75/25/02/502752502.db2.gz XPWOUZCLRBWYMY-DLBZAZTESA-N -1 3 372.469 3.014 20 0 FGADHM CCc1cnc(CCNC(=O)Cc2ccc(Br)cc2[O-])s1 ZINC000477368610 502756986 /nfs/dbraw/zinc/75/69/86/502756986.db2.gz XCSLLJZODCTUAK-UHFFFAOYSA-N -1 3 369.284 3.075 20 0 FGADHM Cc1ccccc1[C@@H]([C@@H](C)[N-]S(=O)(=O)c1cccc(F)c1F)N(C)C ZINC000473949864 502759838 /nfs/dbraw/zinc/75/98/38/502759838.db2.gz HNYCBVHXODXUBM-FZKQIMNGSA-N -1 3 368.449 3.243 20 0 FGADHM Cn1[n-]c(-c2ccccc2Cl)nc1=NC(=O)[C@H]1CCOc2ccccc21 ZINC000484893100 502767045 /nfs/dbraw/zinc/76/70/45/502767045.db2.gz GKSNJFONRFTZGB-ZDUSSCGKSA-N -1 3 368.824 3.062 20 0 FGADHM CCO[C@H](C)c1ncc(C(=O)[N-]c2cc(C(=O)OC)ccc2F)s1 ZINC000463360267 502769997 /nfs/dbraw/zinc/76/99/97/502769997.db2.gz XYGSAXFYPADQAP-SECBINFHSA-N -1 3 352.387 3.419 20 0 FGADHM O=C(c1ccc2c(c1)C(=O)[N-]C2=O)N1CCc2cc(-c3ccccc3)ccc21 ZINC000484926778 502779030 /nfs/dbraw/zinc/77/90/30/502779030.db2.gz RNOKBHVMWVAXBY-UHFFFAOYSA-N -1 3 368.392 3.440 20 0 FGADHM O=C(Cc1c(F)cccc1F)NCc1ccc([O-])c(Br)c1 ZINC000488683359 502780435 /nfs/dbraw/zinc/78/04/35/502780435.db2.gz FORIVVAFFXPQJE-UHFFFAOYSA-N -1 3 356.166 3.292 20 0 FGADHM CCC(CC)N(CC(C)C)C(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000481213362 502785530 /nfs/dbraw/zinc/78/55/30/502785530.db2.gz WYZRWSGBWQNCOL-ZDUSSCGKSA-N -1 3 360.545 3.088 20 0 FGADHM CN(Cc1nc2ccsc2c(=O)[n-]1)C(=O)COC/C=C\c1ccccc1 ZINC000477490035 502787388 /nfs/dbraw/zinc/78/73/88/502787388.db2.gz REMGTDZSTAGHLK-YVMONPNESA-N -1 3 369.446 3.085 20 0 FGADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]C[C@H]2CC[C@H](C)C2)cc1Cl ZINC000481227823 502789726 /nfs/dbraw/zinc/78/97/26/502789726.db2.gz KIZPZYLPPLEMTA-ONGXEEELSA-N -1 3 362.854 3.152 20 0 FGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@@H](CO)CC1CCC1 ZINC000481234999 502791717 /nfs/dbraw/zinc/79/17/17/502791717.db2.gz MYBGHJDHXRPNKF-CYBMUJFWSA-N -1 3 357.859 3.224 20 0 FGADHM COC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000474158938 502816439 /nfs/dbraw/zinc/81/64/39/502816439.db2.gz NQKYRWVHAPQCNH-AWEZNQCLSA-N -1 3 373.396 3.241 20 0 FGADHM Cc1nc(-c2ccc(NC(=O)NCCOc3ccccc3)cc2)cc(=O)[n-]1 ZINC000504877217 502817935 /nfs/dbraw/zinc/81/79/35/502817935.db2.gz SXOZGPGSZNYQEI-UHFFFAOYSA-N -1 3 364.405 3.358 20 0 FGADHM COc1cc(F)c(S(=O)(=O)[N-][C@H]2CCCC[C@H]2C(C)C)cc1OC ZINC000488820912 502818661 /nfs/dbraw/zinc/81/86/61/502818661.db2.gz DOZHGFOJHLFFTL-JSGCOSHPSA-N -1 3 359.463 3.336 20 0 FGADHM O=S(=O)([N-]CCCOC1CCCC1)c1cc(C(F)(F)F)ccc1F ZINC000488822078 502818986 /nfs/dbraw/zinc/81/89/86/502818986.db2.gz JJKCSKRTKOWXQQ-UHFFFAOYSA-N -1 3 369.380 3.472 20 0 FGADHM Cc1ccc([N-]S(=O)(=O)c2cccc3c2OCO3)c(Br)c1 ZINC000509099394 502820654 /nfs/dbraw/zinc/82/06/54/502820654.db2.gz 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/nfs/dbraw/zinc/27/76/21/503277621.db2.gz CVDOSFYCWACQHY-ZDUSSCGKSA-N -1 3 374.244 3.409 20 0 FGADHM O=C(N[C@@H](c1cccc(F)c1F)C(F)(F)F)c1cc(F)cc2n[n-]nc21 ZINC000502806346 503277623 /nfs/dbraw/zinc/27/76/23/503277623.db2.gz CVDOSFYCWACQHY-ZDUSSCGKSA-N -1 3 374.244 3.409 20 0 FGADHM COc1cccc(C2(C(=O)Nc3nnc(-c4c(F)cccc4F)[n-]3)CC2)c1 ZINC000498874764 503280398 /nfs/dbraw/zinc/28/03/98/503280398.db2.gz QZJYIAUKYMXYEZ-UHFFFAOYSA-N -1 3 370.359 3.429 20 0 FGADHM COc1cccc(C2(C(=O)Nc3nc(-c4c(F)cccc4F)n[n-]3)CC2)c1 ZINC000498874764 503280403 /nfs/dbraw/zinc/28/04/03/503280403.db2.gz QZJYIAUKYMXYEZ-UHFFFAOYSA-N -1 3 370.359 3.429 20 0 FGADHM COc1cccc(C2(C(=O)Nc3n[n-]c(-c4c(F)cccc4F)n3)CC2)c1 ZINC000498874764 503280407 /nfs/dbraw/zinc/28/04/07/503280407.db2.gz QZJYIAUKYMXYEZ-UHFFFAOYSA-N -1 3 370.359 3.429 20 0 FGADHM COc1ccc([O-])c(C(=O)N[C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)c1 ZINC000611916181 506362248 /nfs/dbraw/zinc/36/22/48/506362248.db2.gz SVXPVMVSFUSCHP-LBPRGKRZSA-N -1 3 369.421 3.176 20 0 FGADHM Cc1ccc(C(F)(F)F)cc1NC(=O)c1cncc([N-]S(C)(=O)=O)c1 ZINC000502842736 503285830 /nfs/dbraw/zinc/28/58/30/503285830.db2.gz QWWJYJXAMGVHKM-UHFFFAOYSA-N -1 3 373.356 3.033 20 0 FGADHM O=S(=O)([N-]Cc1cnn2ccccc12)c1ccc(Cl)c(Cl)c1 ZINC000511255686 503288407 /nfs/dbraw/zinc/28/84/07/503288407.db2.gz APKXNGJCNFJVBC-UHFFFAOYSA-N -1 3 356.234 3.120 20 0 FGADHM CC(C)C[C@H](C)OCCC(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000511284634 503293808 /nfs/dbraw/zinc/29/38/08/503293808.db2.gz JRQVGLMMRNMXBQ-LBPRGKRZSA-N -1 3 368.275 3.299 20 0 FGADHM CC(C)(CC(=O)N=c1cc2ccc(Br)cn2[n-]1)C(F)(F)F ZINC000511355583 503305408 /nfs/dbraw/zinc/30/54/08/503305408.db2.gz QMAXQFOTHYIBMP-UHFFFAOYSA-N -1 3 364.165 3.436 20 0 FGADHM Cn1c(=O)c(CNCc2cc([O-])ccc2Br)cc2ccccc21 ZINC000491435454 503306507 /nfs/dbraw/zinc/30/65/07/503306507.db2.gz UUOFLMNPIUNPLQ-UHFFFAOYSA-N -1 3 373.250 3.296 20 0 FGADHM O=C(CCCC(F)(F)F)N=c1cc2ccc(Br)cn2[n-]1 ZINC000511372224 503308453 /nfs/dbraw/zinc/30/84/53/503308453.db2.gz 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503326801 /nfs/dbraw/zinc/32/68/01/503326801.db2.gz VBMSDTYQFRULAY-UHFFFAOYSA-N -1 3 363.479 3.447 20 0 FGADHM COc1ccc2ncc(C(=O)[O-])c(N3CC[C@@H](C4CCOCC4)C3)c2c1 ZINC000515386432 503328921 /nfs/dbraw/zinc/32/89/21/503328921.db2.gz NRLAZPNSXCOMCG-CQSZACIVSA-N -1 3 356.422 3.195 20 0 FGADHM CNC(=O)Nc1cc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)ccc1F ZINC000507615184 503333391 /nfs/dbraw/zinc/33/33/91/503333391.db2.gz XUGKKTDMISFNSP-UHFFFAOYSA-N -1 3 365.430 3.303 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1cccc(C2CCC2)c1 ZINC000515493142 503350114 /nfs/dbraw/zinc/35/01/14/503350114.db2.gz SDCJSSJFPGUWIU-LBPRGKRZSA-N -1 3 364.492 3.321 20 0 FGADHM CC[C@H](C)NC(=O)c1ccc(NC(=O)c2cc(F)cc3[n-]nnc32)c(C)c1 ZINC000503191761 503363155 /nfs/dbraw/zinc/36/31/55/503363155.db2.gz UJYIKHUOYLVWFE-NSHDSACASA-N -1 3 369.400 3.186 20 0 FGADHM CC[C@H](C)NC(=O)c1ccc(NC(=O)c2cc(F)cc3nn[n-]c32)c(C)c1 ZINC000503191761 503363161 /nfs/dbraw/zinc/36/31/61/503363161.db2.gz UJYIKHUOYLVWFE-NSHDSACASA-N -1 3 369.400 3.186 20 0 FGADHM CC[C@H](C)NC(=O)c1ccc(NC(=O)c2cc(F)cc3n[n-]nc32)c(C)c1 ZINC000503191761 503363164 /nfs/dbraw/zinc/36/31/64/503363164.db2.gz UJYIKHUOYLVWFE-NSHDSACASA-N -1 3 369.400 3.186 20 0 FGADHM COc1cc2c(cc1F)[n-]cc(C(=O)NCc1ccccc1Cl)c2=O ZINC000507937863 503399905 /nfs/dbraw/zinc/39/99/05/503399905.db2.gz USKCHHKMILQPFA-UHFFFAOYSA-N -1 3 360.772 3.259 20 0 FGADHM CCOC(=O)C[C@H](NC(=O)c1cccc(C)c1[O-])c1cccc(OC)c1 ZINC000515812560 503405960 /nfs/dbraw/zinc/40/59/60/503405960.db2.gz SQPCJNYAMCDKTI-KRWDZBQOSA-N -1 3 357.406 3.134 20 0 FGADHM O=C(NC[C@@H]1CCCN(Cc2c(F)ccc([O-])c2F)C1)c1ccccc1 ZINC000507998638 503411038 /nfs/dbraw/zinc/41/10/38/503411038.db2.gz MBHLOZFTTUCOGP-AWEZNQCLSA-N -1 3 360.404 3.312 20 0 FGADHM CCN(CC[C@@H](C(=O)[O-])c1ccccc1)[C@H]1CCN(c2ccccc2)C1=O ZINC000515856290 503413054 /nfs/dbraw/zinc/41/30/54/503413054.db2.gz QSJIHYDOMNRRGT-UXHICEINSA-N -1 3 366.461 3.372 20 0 FGADHM CSCc1cccnc1C(=O)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1 ZINC000582695761 506369775 /nfs/dbraw/zinc/36/97/75/506369775.db2.gz GGXXGOZODOYJEL-UHFFFAOYSA-N -1 3 360.389 3.287 20 0 FGADHM CCC(C)(CC)[N-]S(=O)(=O)c1cc(F)c(Br)cc1OC ZINC000503476499 503417135 /nfs/dbraw/zinc/41/71/35/503417135.db2.gz OMICYCUBXHWSPG-UHFFFAOYSA-N -1 3 368.268 3.454 20 0 FGADHM O=S(=O)([N-]C1(c2ccc(F)cc2)CCCC1)c1cn2c(n1)CCCC2 ZINC000503473874 503417323 /nfs/dbraw/zinc/41/73/23/503417323.db2.gz HTTMGHGQJTWKAP-UHFFFAOYSA-N -1 3 363.458 3.106 20 0 FGADHM COc1ccc([O-])c(C(=O)NCc2ccnc(OC3CCCCC3)c2)c1 ZINC000503482027 503417872 /nfs/dbraw/zinc/41/78/72/503417872.db2.gz CFTQSFUORVDSSP-UHFFFAOYSA-N -1 3 356.422 3.437 20 0 FGADHM Cc1c(C(=O)Nc2cccc(-c3nnn[n-]3)c2)cnn1C1CCCCC1 ZINC000511933141 503418020 /nfs/dbraw/zinc/41/80/20/503418020.db2.gz XJZZWYMEYDFQHB-UHFFFAOYSA-N -1 3 351.414 3.129 20 0 FGADHM Cc1c(C(=O)Nc2cccc(-c3nn[n-]n3)c2)cnn1C1CCCCC1 ZINC000511933141 503418025 /nfs/dbraw/zinc/41/80/25/503418025.db2.gz XJZZWYMEYDFQHB-UHFFFAOYSA-N -1 3 351.414 3.129 20 0 FGADHM Cc1nc2ccccc2n1CCC(=O)N=c1cc(-c2ccccc2C)[n-][nH]1 ZINC000493304991 503419184 /nfs/dbraw/zinc/41/91/84/503419184.db2.gz OSBKCBMBNSESET-UHFFFAOYSA-N -1 3 359.433 3.494 20 0 FGADHM CCOc1c(OC)cc(CNC(=O)c2cc([O-])ccc2Cl)cc1OC ZINC000515924319 503420724 /nfs/dbraw/zinc/42/07/24/503420724.db2.gz BMXWFNIVMIVTKP-UHFFFAOYSA-N -1 3 365.813 3.392 20 0 FGADHM Cc1ccccc1-c1cc(=NC(=O)[C@H](C)n2ccc3ccccc3c2=O)[nH][n-]1 ZINC000493324016 503421034 /nfs/dbraw/zinc/42/10/34/503421034.db2.gz VEQJGVLULXKUQT-HNNXBMFYSA-N -1 3 372.428 3.322 20 0 FGADHM O=S(=O)([N-]c1cncc(Cl)c1Br)c1ccccc1F ZINC000508094512 503430078 /nfs/dbraw/zinc/43/00/78/503430078.db2.gz LGXHSXITMSYKKN-UHFFFAOYSA-N -1 3 365.611 3.437 20 0 FGADHM Cc1cc(C(=O)N2CCN(c3nc4ccccc4s3)CC2)ccc1[O-] ZINC000499569813 503433768 /nfs/dbraw/zinc/43/37/68/503433768.db2.gz HBBOCIXOCKKGKG-UHFFFAOYSA-N -1 3 353.447 3.273 20 0 FGADHM O=S(=O)([N-]C1(C(F)F)CCCCC1)c1cnn(Cc2ccccc2)c1 ZINC000508124138 503435820 /nfs/dbraw/zinc/43/58/20/503435820.db2.gz CFQUNYJMOOANMO-UHFFFAOYSA-N -1 3 369.437 3.178 20 0 FGADHM CC(C)(C)OC(=O)C1([N-]S(=O)(=O)Cc2cccc(Cl)c2)CCCC1 ZINC000588891480 506371426 /nfs/dbraw/zinc/37/14/26/506371426.db2.gz XRIGTSHQSQOAPP-UHFFFAOYSA-N -1 3 373.902 3.414 20 0 FGADHM O=C1CCCN1[C@@H]1CCC[C@@H](NCc2cccc([O-])c2Br)C1 ZINC000516089251 503443795 /nfs/dbraw/zinc/44/37/95/503443795.db2.gz QAOLYYISGWUATP-ZIAGYGMSSA-N -1 3 367.287 3.178 20 0 FGADHM C[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)c1cc(F)cc2nn[n-]c21 ZINC000503620774 503447132 /nfs/dbraw/zinc/44/71/32/503447132.db2.gz XTPUHFUVLJYFSG-SECBINFHSA-N -1 3 366.318 3.477 20 0 FGADHM C[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)c1cc(F)cc2[n-]nnc21 ZINC000503620774 503447136 /nfs/dbraw/zinc/44/71/36/503447136.db2.gz XTPUHFUVLJYFSG-SECBINFHSA-N -1 3 366.318 3.477 20 0 FGADHM C[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000503620774 503447140 /nfs/dbraw/zinc/44/71/40/503447140.db2.gz XTPUHFUVLJYFSG-SECBINFHSA-N -1 3 366.318 3.477 20 0 FGADHM Cc1cc(C(=O)N2CCN(C(=O)CCC3CCCCC3)CC2)ccc1[O-] ZINC000499646199 503449638 /nfs/dbraw/zinc/44/96/38/503449638.db2.gz FPBLEEPAHLZUNW-UHFFFAOYSA-N -1 3 358.482 3.346 20 0 FGADHM Cc1cc(C)c(C)c(OCCC(=O)Nc2cccc(-c3nnn[n-]3)c2)c1 ZINC000499759647 503475790 /nfs/dbraw/zinc/47/57/90/503475790.db2.gz IAYJQUXRFLJGQI-UHFFFAOYSA-N -1 3 351.410 3.200 20 0 FGADHM Cc1cc(C)c(C)c(OCCC(=O)Nc2cccc(-c3nn[n-]n3)c2)c1 ZINC000499759647 503475793 /nfs/dbraw/zinc/47/57/93/503475793.db2.gz IAYJQUXRFLJGQI-UHFFFAOYSA-N -1 3 351.410 3.200 20 0 FGADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@@H](C)CC(C)C ZINC000503835761 503477308 /nfs/dbraw/zinc/47/73/08/503477308.db2.gz ZOZUZAOGCSFUDO-VIFPVBQESA-N -1 3 368.268 3.310 20 0 FGADHM Cc1ccc(CCC(=O)Nc2ccc(F)c([N-]S(C)(=O)=O)c2)cc1 ZINC000494047722 503479011 /nfs/dbraw/zinc/47/90/11/503479011.db2.gz IPIBCNBGGKYAHT-UHFFFAOYSA-N -1 3 350.415 3.077 20 0 FGADHM O=S(=O)([N-]CCc1cc(F)c(F)c(F)c1)c1cc(F)ccc1Cl ZINC000503885708 503483993 /nfs/dbraw/zinc/48/39/93/503483993.db2.gz 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C[C@@H]([N-]S(=O)(=O)c1cccnc1C(F)(F)F)c1cccc(F)c1F ZINC000553872910 505030097 /nfs/dbraw/zinc/03/00/97/505030097.db2.gz XMIMMGIALZLRKV-MRVPVSSYSA-N -1 3 366.311 3.418 20 0 FGADHM O=S(=O)([N-][C@@H](CCO)c1ccc(Cl)cc1)c1ccc(Cl)s1 ZINC000553911328 505040300 /nfs/dbraw/zinc/04/03/00/505040300.db2.gz KCYOIUFYKVZADN-NSHDSACASA-N -1 3 366.291 3.457 20 0 FGADHM O=S(=O)([N-]C[C@@H]1CSc2ccccc21)c1ccc(C(F)(F)F)cn1 ZINC000560316874 505044246 /nfs/dbraw/zinc/04/42/46/505044246.db2.gz LFGBZNGIDNORQK-SNVBAGLBSA-N -1 3 374.409 3.268 20 0 FGADHM O=C(NC[C@H]1CC12CC2)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000557071571 505059007 /nfs/dbraw/zinc/05/90/07/505059007.db2.gz SJWULPSRJDMAIN-CQSZACIVSA-N -1 3 374.437 3.156 20 0 FGADHM CN(C)CCN(Cc1cccc(Cl)c1)C(=O)N=c1cc2ccccn2[n-]1 ZINC000566027889 505059146 /nfs/dbraw/zinc/05/91/46/505059146.db2.gz MMFKHIGIESARKP-UHFFFAOYSA-N -1 3 371.872 3.005 20 0 FGADHM COc1cc(C[N-]S(=O)(=O)c2cscn2)ccc1OCCC(C)C ZINC000566065895 505069746 /nfs/dbraw/zinc/06/97/46/505069746.db2.gz 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ZINC000583566272 506851852 /nfs/dbraw/zinc/85/18/52/506851852.db2.gz HTMFFXXPSFYZNM-UHFFFAOYSA-N -1 3 369.288 3.361 20 0 FGADHM CC[C@@H](NC(=O)c1c[n-]c2ccncc2c1=O)c1ccccc1OC(F)F ZINC000583581364 506860425 /nfs/dbraw/zinc/86/04/25/506860425.db2.gz KLSWAWFMYXILOY-CQSZACIVSA-N -1 3 373.359 3.406 20 0 FGADHM CCOC(=O)c1cc(F)c(F)cc1[N-]C(=O)c1scc2c1OCCO2 ZINC000593983411 506864942 /nfs/dbraw/zinc/86/49/42/506864942.db2.gz AEABZLRXKHIGDU-UHFFFAOYSA-N -1 3 369.345 3.227 20 0 FGADHM CCOC(=O)c1csc(=NC[C@H](c2cccs2)N2CCCC2)[n-]1 ZINC000590570185 506865193 /nfs/dbraw/zinc/86/51/93/506865193.db2.gz XOQDWFYEUMOMTP-CYBMUJFWSA-N -1 3 351.497 3.052 20 0 FGADHM CCOC(=O)c1cc(C(=O)[N-]c2cc(F)ccc2N2CCCCC2)on1 ZINC000590628985 506889127 /nfs/dbraw/zinc/88/91/27/506889127.db2.gz JGCXHKPKWUMVSN-UHFFFAOYSA-N -1 3 361.373 3.233 20 0 FGADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCC(=O)N3)cc1C ZINC000590696982 506915131 /nfs/dbraw/zinc/91/51/31/506915131.db2.gz GLMJKNJRFFULBH-UHFFFAOYSA-N -1 3 374.462 3.469 20 0 FGADHM C[C@]1(c2ccc(-c3noc(-c4sccc4Cl)n3)cc2)NC(=O)[N-]C1=O ZINC000583717855 506931317 /nfs/dbraw/zinc/93/13/17/506931317.db2.gz JNGKQTUGQPRHKZ-MRXNPFEDSA-N -1 3 374.809 3.173 20 0 FGADHM CSc1ccc([O-])c(C(=O)NCc2cccnc2OCC(F)F)c1 ZINC000613140131 506937005 /nfs/dbraw/zinc/93/70/05/506937005.db2.gz TVDQXUUFLDFFBV-UHFFFAOYSA-N -1 3 354.378 3.083 20 0 FGADHM Cc1nc(-c2ccc(NC(=O)N3CC[C@@H](O)CC(C)(C)C3)cc2)cc(=O)[n-]1 ZINC000583735574 506942296 /nfs/dbraw/zinc/94/22/96/506942296.db2.gz MVHVONJTBFIDGX-MRXNPFEDSA-N -1 3 370.453 3.172 20 0 FGADHM CCC[C@@H]1CN(c2nc3ccccc3c(C)c2C(=O)[O-])CCN1CCOC ZINC000583814628 506988485 /nfs/dbraw/zinc/98/84/85/506988485.db2.gz FEUWALQMQDSMGR-MRXNPFEDSA-N -1 3 371.481 3.179 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCCCO3)c(C)c1C ZINC000604971118 507011145 /nfs/dbraw/zinc/01/11/45/507011145.db2.gz NQVQJHZZJGGRGT-UHFFFAOYSA-N -1 3 363.435 3.274 20 0 FGADHM CCOC(=O)[C@@]1(C(C)C)CCN(C(=O)c2cc(SC)ccc2[O-])C1 ZINC000597586059 507020207 /nfs/dbraw/zinc/02/02/07/507020207.db2.gz KWOBMUQVZKCGQI-SFHVURJKSA-N -1 3 351.468 3.166 20 0 FGADHM Cc1cc(F)ccc1N1CCC[C@@H]([N-]S(=O)(=O)c2ccccc2F)C1 ZINC000605005727 507032729 /nfs/dbraw/zinc/03/27/29/507032729.db2.gz MTYRFVGMEOHXIA-OAHLLOKOSA-N -1 3 366.433 3.221 20 0 FGADHM CN(C[C@H]1COc2ccccc2O1)C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000590960128 507060630 /nfs/dbraw/zinc/06/06/30/507060630.db2.gz SWTPPBZVEROEJA-AWEZNQCLSA-N -1 3 369.417 3.018 20 0 FGADHM CC1(C)Cc2ccc(C(=O)N3CC[C@@H](Nc4ccccc4)C3)c([O-])c2O1 ZINC000590961000 507062898 /nfs/dbraw/zinc/06/28/98/507062898.db2.gz LGRDUZVSWVKMAG-MRXNPFEDSA-N -1 3 352.434 3.432 20 0 FGADHM CCOc1cc(CNCc2ccc([S@](C)=O)cc2)cc(Cl)c1[O-] ZINC000590966733 507064102 /nfs/dbraw/zinc/06/41/02/507064102.db2.gz TVICWNUHFUABIJ-QHCPKHFHSA-N -1 3 353.871 3.472 20 0 FGADHM Fc1cccc(COc2ccc(CNC3(c4nn[n-]n4)CCCC3)cc2)c1 ZINC000605075939 507070388 /nfs/dbraw/zinc/07/03/88/507070388.db2.gz YXHIFCADXXHQCX-UHFFFAOYSA-N -1 3 367.428 3.477 20 0 FGADHM Fc1cccc(COc2ccc(CNC3(c4nnn[n-]4)CCCC3)cc2)c1 ZINC000605075939 507070400 /nfs/dbraw/zinc/07/04/00/507070400.db2.gz YXHIFCADXXHQCX-UHFFFAOYSA-N -1 3 367.428 3.477 20 0 FGADHM CCOC(=O)c1[n-]c(C)nc1NC(=O)COc1cc(C)ccc1C(C)C ZINC000610108943 507102915 /nfs/dbraw/zinc/10/29/15/507102915.db2.gz QKBFJIIEAMLTOK-UHFFFAOYSA-N -1 3 359.426 3.344 20 0 FGADHM CCOC(=O)c1nc(C)[n-]c1NC(=O)COc1cc(C)ccc1C(C)C ZINC000610108943 507102922 /nfs/dbraw/zinc/10/29/22/507102922.db2.gz QKBFJIIEAMLTOK-UHFFFAOYSA-N -1 3 359.426 3.344 20 0 FGADHM C[C@@H](NC(=O)c1ccc2n[n-]nc2c1)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC000594402535 507116310 /nfs/dbraw/zinc/11/63/10/507116310.db2.gz ZOILTPZHJKCIIT-KWCYVHTRSA-N -1 3 372.469 3.080 20 0 FGADHM CCOC(=O)[C@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)C1CCCCCC1 ZINC000594411127 507119421 /nfs/dbraw/zinc/11/94/21/507119421.db2.gz PEDLRKWVLAVASK-LJQANCHMSA-N -1 3 370.449 3.160 20 0 FGADHM CCc1ccc(C(=O)N[C@@H](Cc2ccncc2)C(=O)OC(C)(C)C)c([O-])c1 ZINC000594423017 507125471 /nfs/dbraw/zinc/12/54/71/507125471.db2.gz MXTYQIDFYKYJGC-KRWDZBQOSA-N -1 3 370.449 3.032 20 0 FGADHM CCCOc1ccc([N-]S(=O)(=O)C[C@H]2CCCO2)cc1OCCC ZINC000605291428 507131339 /nfs/dbraw/zinc/13/13/39/507131339.db2.gz WIJVBBSOVWMOCL-OAHLLOKOSA-N -1 3 357.472 3.185 20 0 FGADHM CCOC(=O)c1[n-]c(C)nc1NC(=O)C[C@@H]1CCCc2cc(OC)ccc21 ZINC000610231407 507149955 /nfs/dbraw/zinc/14/99/55/507149955.db2.gz TZSRQERATTZJIJ-AWEZNQCLSA-N -1 3 371.437 3.352 20 0 FGADHM CCOC(=O)c1nc(C)[n-]c1NC(=O)C[C@@H]1CCCc2cc(OC)ccc21 ZINC000610231407 507149958 /nfs/dbraw/zinc/14/99/58/507149958.db2.gz TZSRQERATTZJIJ-AWEZNQCLSA-N -1 3 371.437 3.352 20 0 FGADHM Cc1ccc(-c2cnc([N-]C(=O)c3nnn(C(C)(C)C)n3)s2)c(C)c1 ZINC000613585906 507169390 /nfs/dbraw/zinc/16/93/90/507169390.db2.gz HAIJXPLXKIUBDS-UHFFFAOYSA-N -1 3 356.455 3.421 20 0 FGADHM CCOC(=O)c1sc2[n-]c([C@@H](C)S[C@@H](C)CCO)nc(=O)c2c1C ZINC000610286786 507177694 /nfs/dbraw/zinc/17/76/94/507177694.db2.gz AEDBXDJZDYJWGX-WCBMZHEXSA-N -1 3 370.496 3.035 20 0 FGADHM O=c1cc(CSCc2ccc(OCC(F)(F)F)nn2)nc(C2CC2)[n-]1 ZINC000594561331 507185707 /nfs/dbraw/zinc/18/57/07/507185707.db2.gz WHIUKOLUMSWCPI-UHFFFAOYSA-N -1 3 372.372 3.224 20 0 FGADHM COc1ccc2c(c1)[n-]cc(C(=O)N(C)CCCOc1ccccc1)c2=O ZINC000613642213 507196151 /nfs/dbraw/zinc/19/61/51/507196151.db2.gz SAYWEAWGDGZKFL-UHFFFAOYSA-N -1 3 366.417 3.078 20 0 FGADHM CCOC(=O)c1[nH]c(C)c(CN[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)c1C ZINC000600942840 507202785 /nfs/dbraw/zinc/20/27/85/507202785.db2.gz JYBCCHHYIBKCQZ-NVXWUHKLSA-N -1 3 356.422 3.211 20 0 FGADHM CC[C@H](C[N-]S(=O)(=O)c1cccc(C)c1C(=O)OC)CC(F)(F)F ZINC000591331889 507204133 /nfs/dbraw/zinc/20/41/33/507204133.db2.gz FEYIRWPXKWKFQS-NSHDSACASA-N -1 3 367.389 3.039 20 0 FGADHM O=C(COc1ccccc1)Nc1cc(I)ccc1[O-] ZINC000610486339 507258264 /nfs/dbraw/zinc/25/82/64/507258264.db2.gz SCOJAJOULDGZMB-UHFFFAOYSA-N -1 3 369.158 3.014 20 0 FGADHM Cc1ccc(CCC(=O)Nc2cc(I)ccc2[O-])o1 ZINC000610490548 507259690 /nfs/dbraw/zinc/25/96/90/507259690.db2.gz RGKATKDNANXNON-UHFFFAOYSA-N -1 3 371.174 3.470 20 0 FGADHM CC(C)[C@H](NCC(F)(F)F)C(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000613831842 507273499 /nfs/dbraw/zinc/27/34/99/507273499.db2.gz SKLPSHNOJPUGDM-NSHDSACASA-N -1 3 374.281 3.406 20 0 FGADHM COc1ccc(NC(=O)c2ccc3[nH]c4c(c3c2)CN(C)CC4)c([O-])c1 ZINC000613832640 507273623 /nfs/dbraw/zinc/27/36/23/507273623.db2.gz FVXNVOZIKPZKFD-UHFFFAOYSA-N -1 3 351.406 3.122 20 0 FGADHM COC(=O)c1c(C)nc(=O)[n-]c1SCCc1nsc2ccccc12 ZINC000594882107 507303144 /nfs/dbraw/zinc/30/31/44/507303144.db2.gz PAVSEGVJUOSPOL-UHFFFAOYSA-N -1 3 361.448 3.222 20 0 FGADHM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2ccc3[nH]c(C)nc3c2)c1 ZINC000584383399 507313750 /nfs/dbraw/zinc/31/37/50/507313750.db2.gz XRPKXGXTQJFTMC-UHFFFAOYSA-N -1 3 365.842 3.472 20 0 FGADHM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2ccc3nc(C)[nH]c3c2)c1 ZINC000584383399 507313756 /nfs/dbraw/zinc/31/37/56/507313756.db2.gz XRPKXGXTQJFTMC-UHFFFAOYSA-N -1 3 365.842 3.472 20 0 FGADHM COC(=O)[C@H]([N-]C(=O)c1c(F)c(F)cc(F)c1F)c1ccccc1F ZINC000610704840 507356604 /nfs/dbraw/zinc/35/66/04/507356604.db2.gz SNFXYMHDDFVBIG-CQSZACIVSA-N -1 3 359.250 3.026 20 0 FGADHM Cc1ccc([C@@H]2[C@@H](C)CCCN2Cc2nc3c(cnn3C)c(=O)[n-]2)cc1 ZINC000606452041 507410756 /nfs/dbraw/zinc/41/07/56/507410756.db2.gz DUIHYNBRRYNESA-KSSFIOAISA-N -1 3 351.454 3.351 20 0 FGADHM Cc1ccccc1-c1cc(=NC(=O)c2cc(=O)[nH]c3ccc(F)cc32)[nH][n-]1 ZINC000606531555 507437131 /nfs/dbraw/zinc/43/71/31/507437131.db2.gz FEDWMRJGZYMCQZ-UHFFFAOYSA-N -1 3 362.364 3.452 20 0 FGADHM Cc1nc(C(=O)NCc2ccc([O-])c(F)c2)nn1-c1ccccc1C(C)C ZINC000606537416 507438272 /nfs/dbraw/zinc/43/82/72/507438272.db2.gz RAZZIIQDEGQLIF-UHFFFAOYSA-N -1 3 368.412 3.474 20 0 FGADHM CCOc1cc2c(cc1[C@@H]1C[C@H]1NC(=O)c1cccc([O-])c1)O[C@@H](C)C2 ZINC000584673825 507442936 /nfs/dbraw/zinc/44/29/36/507442936.db2.gz CNGIMDCMKWQTIM-ULFGMLNVSA-N -1 3 353.418 3.400 20 0 FGADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCN(Cc3c(F)cccc3Cl)CC2)n1 ZINC000584700564 507457521 /nfs/dbraw/zinc/45/75/21/507457521.db2.gz ZNTOWTUSGFQCNX-CYBMUJFWSA-N -1 3 364.852 3.162 20 0 FGADHM CCc1cc(C(=O)N2CCC[C@@H](c3ncc(C(=O)OC)s3)C2)ccc1[O-] ZINC000598552991 507481896 /nfs/dbraw/zinc/48/18/96/507481896.db2.gz HKZQKLHBLYNKBD-CQSZACIVSA-N -1 3 374.462 3.218 20 0 FGADHM CCCCn1c(=O)[n-]nc1S[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000606754633 507497419 /nfs/dbraw/zinc/49/74/19/507497419.db2.gz LFVIPNBFOLXIAD-ZDUSSCGKSA-N -1 3 366.874 3.335 20 0 FGADHM Cc1cc(C(=O)Nc2cc(I)ccc2[O-])c(C)n1C ZINC000611156695 507540062 /nfs/dbraw/zinc/54/00/62/507540062.db2.gz ONINBSYLQQKJMA-UHFFFAOYSA-N -1 3 370.190 3.204 20 0 FGADHM COC(=O)c1sc([N-]C(=O)c2c(C)noc2C(F)F)nc1C1CC1 ZINC000611165088 507543142 /nfs/dbraw/zinc/54/31/42/507543142.db2.gz VEWKMYLNBFMQGH-UHFFFAOYSA-N -1 3 357.338 3.293 20 0 FGADHM CCc1ccc([C@@H]2CCCCCN2Cc2nc3c(cnn3C)c(=O)[n-]2)o1 ZINC000606899114 507547615 /nfs/dbraw/zinc/54/76/15/507547615.db2.gz HMXIYTWGGDPKEQ-HNNXBMFYSA-N -1 3 355.442 3.342 20 0 FGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)NCCCC(C)(C)C)cc1OC ZINC000606916347 507556077 /nfs/dbraw/zinc/55/60/77/507556077.db2.gz QSLKRGXBLIVCSX-UHFFFAOYSA-N -1 3 371.503 3.405 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)C[C@@H](C)C(=O)c3ccccc3)[n-]c21 ZINC000611213950 507564660 /nfs/dbraw/zinc/56/46/60/507564660.db2.gz SCHPYGAHBGQQGF-GFCCVEGCSA-N -1 3 365.389 3.197 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)C[C@@H](C)C(=O)c3ccccc3)nc21 ZINC000611213950 507564665 /nfs/dbraw/zinc/56/46/65/507564665.db2.gz SCHPYGAHBGQQGF-GFCCVEGCSA-N -1 3 365.389 3.197 20 0 FGADHM CCOC(=O)C[C@@H](NC(=O)c1cc([O-])cc(C(F)(F)F)c1)C(F)(F)F ZINC000598768587 507594350 /nfs/dbraw/zinc/59/43/50/507594350.db2.gz ONHZEHLWGZOJIJ-SNVBAGLBSA-N -1 3 373.249 3.025 20 0 FGADHM CC(C)(C)OC(=O)CCCC[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000611343112 507630271 /nfs/dbraw/zinc/63/02/71/507630271.db2.gz SXWIVHJZLONMRQ-UHFFFAOYSA-N -1 3 365.854 3.269 20 0 FGADHM C[C@H](NC(=O)[C@@H]1CCCc2sccc21)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000614823547 507665900 /nfs/dbraw/zinc/66/59/00/507665900.db2.gz BSRPJGKYICCNCX-SGMGOOAPSA-N -1 3 373.478 3.048 20 0 FGADHM C[C@H](NC(=O)CCSc1ccccc1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000614825421 507667805 /nfs/dbraw/zinc/66/78/05/507667805.db2.gz YXKZCSBKXNEOEH-KBPBESRZSA-N -1 3 373.478 3.049 20 0 FGADHM CCOc1ncc(C(=O)N=c2cc(-c3ccccc3OC)[n-][nH]2)cc1Cl ZINC000602324984 507670865 /nfs/dbraw/zinc/67/08/65/507670865.db2.gz LOHHHOGFXDULFK-UHFFFAOYSA-N -1 3 372.812 3.207 20 0 FGADHM CCOC(=O)CC[C@H]1CCCN(C(=O)c2c[n-]c3ccc(C)cc3c2=O)C1 ZINC000587982745 507724464 /nfs/dbraw/zinc/72/44/64/507724464.db2.gz VYHKHYUTKKBMBB-OAHLLOKOSA-N -1 3 370.449 3.032 20 0 FGADHM CCc1cc(=O)[n-]c(CN[C@@](C)(C(=O)OC(C)(C)C)c2ccccc2)n1 ZINC000595884306 507727433 /nfs/dbraw/zinc/72/74/33/507727433.db2.gz MQRJBLGRELGXBI-HXUWFJFHSA-N -1 3 357.454 3.091 20 0 FGADHM CCC[C@H]1C[C@@H](C(=O)Nc2cc(Cl)cc(C(=O)OC)c2[O-])CCO1 ZINC000588095665 507760132 /nfs/dbraw/zinc/76/01/32/507760132.db2.gz BBZRNHNVARYMCP-JQWIXIFHSA-N -1 3 355.818 3.366 20 0 FGADHM COC(=O)c1cc(Cl)cc(NC(=O)[C@H](c2ccccc2)N(C)C)c1[O-] ZINC000588095981 507760368 /nfs/dbraw/zinc/76/03/68/507760368.db2.gz OFWGNYAMVGKHEU-HNNXBMFYSA-N -1 3 362.813 3.074 20 0 FGADHM COC(=O)c1cc(Cl)cc(NC(=O)Cc2ccc(C(C)=O)cc2)c1[O-] ZINC000588095121 507760411 /nfs/dbraw/zinc/76/04/11/507760411.db2.gz DCDAEGXAWFDYGR-UHFFFAOYSA-N -1 3 361.781 3.216 20 0 FGADHM COC(=O)c1cc(Cl)cc(NC(=O)[C@H](C)Oc2ccccc2F)c1[O-] ZINC000588096758 507760482 /nfs/dbraw/zinc/76/04/82/507760482.db2.gz NQZVXSYCZVWFEN-VIFPVBQESA-N -1 3 367.760 3.377 20 0 FGADHM C[C@H](C(=O)Nc1nnc(-c2ccc3ccccc3n2)[n-]1)C1CCOCC1 ZINC000615119846 507761193 /nfs/dbraw/zinc/76/11/93/507761193.db2.gz QELORBDKUBVDAV-LBPRGKRZSA-N -1 3 351.410 3.021 20 0 FGADHM C[C@H](C(=O)Nc1nc(-c2ccc3ccccc3n2)n[n-]1)C1CCOCC1 ZINC000615119846 507761194 /nfs/dbraw/zinc/76/11/94/507761194.db2.gz QELORBDKUBVDAV-LBPRGKRZSA-N -1 3 351.410 3.021 20 0 FGADHM C[C@H](C(=O)Nc1n[n-]c(-c2ccc3ccccc3n2)n1)C1CCOCC1 ZINC000615119846 507761198 /nfs/dbraw/zinc/76/11/98/507761198.db2.gz QELORBDKUBVDAV-LBPRGKRZSA-N -1 3 351.410 3.021 20 0 FGADHM COC(=O)c1cc(Cl)cc(NC(=O)c2noc3c2CCCCC3)c1[O-] ZINC000588098233 507761314 /nfs/dbraw/zinc/76/13/14/507761314.db2.gz JKZJEERZCBOVLP-UHFFFAOYSA-N -1 3 364.785 3.341 20 0 FGADHM COC(=O)c1cc(Cl)cc([N-]C(=O)c2noc3c2CCCCC3)c1O ZINC000588098233 507761320 /nfs/dbraw/zinc/76/13/20/507761320.db2.gz JKZJEERZCBOVLP-UHFFFAOYSA-N -1 3 364.785 3.341 20 0 FGADHM COC(=O)c1cc(Cl)cc(NC(=O)CSC[C@@H]2CCCCO2)c1[O-] ZINC000588099970 507762319 /nfs/dbraw/zinc/76/23/19/507762319.db2.gz IJRDIZJBJNOJTM-NSHDSACASA-N -1 3 373.858 3.073 20 0 FGADHM COC(=O)c1cc(Cl)cc(NC(=O)[C@@H]2CCCN2c2ccccc2)c1[O-] ZINC000588099323 507762577 /nfs/dbraw/zinc/76/25/77/507762577.db2.gz POOAWRWHQXKGJJ-INIZCTEOSA-N -1 3 374.824 3.440 20 0 FGADHM Cc1ccccc1[C@@H]([C@@H](C)NC(=O)N=c1ncn(C(C)(C)C)[n-]1)N(C)C ZINC000480318039 514919367 /nfs/dbraw/zinc/91/93/67/514919367.db2.gz IULLECRFQXXCJH-GDBMZVCRSA-N -1 3 358.490 3.154 20 0 FGADHM CC[C@@H](C)[C@H](OC)C(=O)N=c1[nH][n-]c(C)c1-c1ccc2c(c1)OCCO2 ZINC000480363868 514933193 /nfs/dbraw/zinc/93/31/93/514933193.db2.gz LPJUVFVXAFTWDT-DIFFPNOSSA-N -1 3 359.426 3.156 20 0 FGADHM CCCc1n[n-]c(=NC(=O)NC[C@H](CC)N2CCc3ccccc3C2)s1 ZINC000503147804 514933944 /nfs/dbraw/zinc/93/39/44/514933944.db2.gz JWRUFFLWFOZQAA-INIZCTEOSA-N -1 3 373.526 3.449 20 0 FGADHM CN(CCCNC(=O)N=c1ccc(C(F)(F)F)n[n-]1)Cc1ccccc1 ZINC000471959423 515068175 /nfs/dbraw/zinc/06/81/75/515068175.db2.gz VDPFTDBAPGVZNM-UHFFFAOYSA-N -1 3 367.375 3.139 20 0 FGADHM Cn1[n-]c(=NC(=O)c2ccc(OCc3ccccc3)nc2)cc1OC(F)F ZINC000490913702 515332467 /nfs/dbraw/zinc/33/24/67/515332467.db2.gz SLTFWPPJMMPEHN-UHFFFAOYSA-N -1 3 374.347 3.248 20 0 FGADHM C[C@@H]1CCSCCN1C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482107951 515578104 /nfs/dbraw/zinc/57/81/04/515578104.db2.gz WYXWIPSHCZEFGJ-SNVBAGLBSA-N -1 3 369.288 3.456 20 0 FGADHM C[C@H]1[C@H](NC(=O)c2csc(=NC3CC3)[n-]2)CCN1Cc1ccccc1 ZINC000494000388 515708294 /nfs/dbraw/zinc/70/82/94/515708294.db2.gz QQEIQDQZMIPYTA-XJKSGUPXSA-N -1 3 356.495 3.110 20 0 FGADHM CC1CCN(c2ccc(C(=O)N=c3cc([C@@H]4CCCO4)[n-][nH]3)cn2)CC1 ZINC000473846894 515771443 /nfs/dbraw/zinc/77/14/43/515771443.db2.gz BAFIWPXJIBYRDP-INIZCTEOSA-N -1 3 355.442 3.145 20 0 FGADHM Cc1ccc(-c2nc(CC(=O)N=c3cc([C@H]4CCCO4)[n-][nH]3)cs2)o1 ZINC000473849845 515773471 /nfs/dbraw/zinc/77/34/71/515773471.db2.gz MJNFRVGONSONBP-CYBMUJFWSA-N -1 3 358.423 3.467 20 0 FGADHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1cnc(Oc2ccccc2)cn1 ZINC000473855732 515778530 /nfs/dbraw/zinc/77/85/30/515778530.db2.gz JOISKMPJYMPWAK-HNNXBMFYSA-N -1 3 351.366 3.096 20 0 FGADHM Cn1[n-]c(=NC(=O)N2CC[C@@H](c3cccc(F)c3)C2)cc1OC(F)F ZINC000488683159 516285943 /nfs/dbraw/zinc/28/59/43/516285943.db2.gz HMPXWJPBHUDUKN-LLVKDONJSA-N -1 3 354.332 3.182 20 0 FGADHM Cc1nc(C(=O)N=c2cc(-c3ccccc3)[n-][nH]2)nn1-c1ccc(F)cc1 ZINC000497566884 516326656 /nfs/dbraw/zinc/32/66/56/516326656.db2.gz CHZPEZMJMXMQIY-UHFFFAOYSA-N -1 3 362.368 3.357 20 0 FGADHM C[C@H]1CCCN(c2cc(C(=O)N=c3cc([C@H]4CCCO4)[n-][nH]3)ccn2)C1 ZINC000517793692 516454139 /nfs/dbraw/zinc/45/41/39/516454139.db2.gz OUDUXYQTMXFGTO-XJKSGUPXSA-N -1 3 355.442 3.145 20 0 FGADHM CCSc1n[n-]c(=NC(=O)NC[C@H](C)N(C)Cc2ccccc2)s1 ZINC000523591109 516513143 /nfs/dbraw/zinc/51/31/43/516513143.db2.gz VFSHUERARGHMDP-LBPRGKRZSA-N -1 3 365.528 3.292 20 0 FGADHM Cc1cc(NC(=O)Cc2c(C)nc(C)[n-]c2=O)nn1-c1cc(C)cc(C)c1 ZINC000540792444 516714422 /nfs/dbraw/zinc/71/44/22/516714422.db2.gz GODJVPWCOWOJJP-UHFFFAOYSA-N -1 3 365.437 3.091 20 0 FGADHM CCS(=O)(=O)c1cccc(C(=O)N=c2[nH][n-]c(C)c2-c2ccccc2)c1 ZINC000536508588 516796832 /nfs/dbraw/zinc/79/68/32/516796832.db2.gz QDKYRTBOTJBBFD-UHFFFAOYSA-N -1 3 369.446 3.431 20 0 FGADHM CC(C)(C)c1n[n-]c(=NC(=O)NC[C@H]2CCN2C2CCCCC2)s1 ZINC000528930689 516805990 /nfs/dbraw/zinc/80/59/90/516805990.db2.gz LALQPSQVJMYFJR-CYBMUJFWSA-N -1 3 351.520 3.364 20 0 FGADHM COc1cc(=NC(=O)C(C)(C)[C@@H](O)c2cc(Cl)cc(Cl)c2)[n-]n1C ZINC000529060638 516896513 /nfs/dbraw/zinc/89/65/13/516896513.db2.gz KUZYKGALOXNPFF-AWEZNQCLSA-N -1 3 372.252 3.434 20 0 FGADHM C[C@H](NC(C)(C)CNC(=O)N=c1ncn(C(C)(C)C)[n-]1)c1ccccc1 ZINC000541508801 517084182 /nfs/dbraw/zinc/08/41/82/517084182.db2.gz UZGFKVKZTWHNFO-AWEZNQCLSA-N -1 3 358.490 3.284 20 0 FGADHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1nn(-c2ccccc2)c2c1CCC2 ZINC000525967075 517262739 /nfs/dbraw/zinc/26/27/39/517262739.db2.gz OPVBMHZGCUDFHF-KRWDZBQOSA-N -1 3 363.421 3.188 20 0 FGADHM O=C(COc1ccc(C(F)(F)F)cc1)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000525967084 517263691 /nfs/dbraw/zinc/26/36/91/517263691.db2.gz OUHBLRZDDMJGER-ZDUSSCGKSA-N -1 3 355.316 3.298 20 0 FGADHM COc1cc(=NC(=O)NCc2nn(CCC(C)C)c3ccccc23)[n-]n1C ZINC000515780896 517472814 /nfs/dbraw/zinc/47/28/14/517472814.db2.gz HMWKSTWPNVKVSL-UHFFFAOYSA-N -1 3 370.457 3.146 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)c2cccc(CS(C)(=O)=O)c2)c1-c1ccccc1 ZINC000522168839 518012550 /nfs/dbraw/zinc/01/25/50/518012550.db2.gz YNICTIRACLQDMU-UHFFFAOYSA-N -1 3 369.446 3.182 20 0 FGADHM COCCCOc1ccc(C(=O)N=c2[nH][n-]c(C)c2-c2ccccc2)cn1 ZINC000522312416 518075995 /nfs/dbraw/zinc/07/59/95/518075995.db2.gz CGMRLVCPDOIBEF-UHFFFAOYSA-N -1 3 366.421 3.448 20 0 FGADHM COc1ccccc1-c1cc(=NC(=O)[C@@H]2Cc3cc(F)ccc3O2)[nH][n-]1 ZINC000608358023 519946078 /nfs/dbraw/zinc/94/60/78/519946078.db2.gz LDPSYHRESQKTIU-KRWDZBQOSA-N -1 3 353.353 3.167 20 0 FGADHM CCS[C@@H]1CCC[C@@H](NC(=O)N=c2[n-]n(C)cc2Br)C1 ZINC000603042981 520043432 /nfs/dbraw/zinc/04/34/32/520043432.db2.gz JKZXNBADBUHXFN-NXEZZACHSA-N -1 3 361.309 3.368 20 0 FGADHM CCN(CCN)C(=O)N=c1[n-]nc(-c2cc(Cl)cc(Cl)c2)s1 ZINC000625899996 521770311 /nfs/dbraw/zinc/77/03/11/521770311.db2.gz HZNJTFXFWDBPKM-UHFFFAOYSA-N -1 3 360.270 3.324 20 0 FGADHM COc1cccc(-c2c(C)[n-][nH]c2=NC(=O)[C@@H](C)OC[C@@H]2CCCCO2)c1 ZINC000629693823 522397605 /nfs/dbraw/zinc/39/76/05/522397605.db2.gz ONRROKZMXSQUHH-PBHICJAKSA-N -1 3 373.453 3.306 20 0 FGADHM CC(C)(C)N1C[C@H](C(=O)N=c2cc(-c3cccc(Cl)c3)[n-][nH]2)CC1=O ZINC000622891127 523531908 /nfs/dbraw/zinc/53/19/08/523531908.db2.gz GUUZXDMUKVAYRB-GFCCVEGCSA-N -1 3 360.845 3.316 20 0 FGADHM Cn1[n-]c(=NC(=O)c2ccc(F)cc2OC(F)F)cc1OC(F)F ZINC000490957263 561440994 /nfs/dbraw/zinc/44/09/94/561440994.db2.gz VPTFJGLKYJGAAC-UHFFFAOYSA-N -1 3 351.231 3.014 20 0 FGADHM COc1ccc(C(=O)N=c2[nH][n-]cc2Br)cc1OC(F)F ZINC000518548675 562114206 /nfs/dbraw/zinc/11/42/06/562114206.db2.gz GZSVFWVZPJPMFY-UHFFFAOYSA-N -1 3 362.130 3.035 20 0 FGADHM O=C(N=c1ccc(C(F)(F)F)n[n-]1)NC[C@@H]1CCN1C1CCCCC1 ZINC000529063106 562358417 /nfs/dbraw/zinc/35/84/17/562358417.db2.gz IJTKAPZKGHXYHT-LBPRGKRZSA-N -1 3 357.380 3.024 20 0 FGADHM Cc1ccccc1-n1nccc1NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000737414936 598824787 /nfs/dbraw/zinc/82/47/87/598824787.db2.gz HQYPCIVSIZGKRH-ZHACJKMWSA-N -1 3 371.404 3.013 20 0 FGADHM Cc1ccccc1-n1nccc1NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000737414936 598824789 /nfs/dbraw/zinc/82/47/89/598824789.db2.gz HQYPCIVSIZGKRH-ZHACJKMWSA-N -1 3 371.404 3.013 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@H](C)c1cccc(C)c1 ZINC000736625582 598829097 /nfs/dbraw/zinc/82/90/97/598829097.db2.gz CVTQIZNLRALNHZ-CYBMUJFWSA-N -1 3 352.394 3.283 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@H](C)c1cccc(C)c1 ZINC000736625582 598829099 /nfs/dbraw/zinc/82/90/99/598829099.db2.gz CVTQIZNLRALNHZ-CYBMUJFWSA-N -1 3 352.394 3.283 20 0 FGADHM CC(C)[C@@H](Cc1ccccc1)C(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000735712873 598830532 /nfs/dbraw/zinc/83/05/32/598830532.db2.gz VHAYMTIYIOIZRF-LJQANCHMSA-N -1 3 363.465 3.340 20 0 FGADHM CC(C)[C@@H](Cc1ccccc1)C(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000735712873 598830534 /nfs/dbraw/zinc/83/05/34/598830534.db2.gz VHAYMTIYIOIZRF-LJQANCHMSA-N -1 3 363.465 3.340 20 0 FGADHM O=C(C[C@H]1CCOC1)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737818820 598832777 /nfs/dbraw/zinc/83/27/77/598832777.db2.gz DZGPIMRWGXUVBW-CYBMUJFWSA-N -1 3 365.393 3.024 20 0 FGADHM O=C(C[C@H]1CCOC1)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737818820 598832779 /nfs/dbraw/zinc/83/27/79/598832779.db2.gz DZGPIMRWGXUVBW-CYBMUJFWSA-N -1 3 365.393 3.024 20 0 FGADHM CC=CC=CC(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000736306492 598833668 /nfs/dbraw/zinc/83/36/68/598833668.db2.gz XMIGGEYCXIAQSG-HOJFPOIOSA-N -1 3 351.435 3.344 20 0 FGADHM CC(=O)Nc1ccc(NC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000735487866 598850424 /nfs/dbraw/zinc/85/04/24/598850424.db2.gz DAJDELRNTRXGST-UHFFFAOYSA-N -1 3 371.788 3.123 20 0 FGADHM CC(=O)Nc1ccc(NC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000735487866 598850426 /nfs/dbraw/zinc/85/04/26/598850426.db2.gz DAJDELRNTRXGST-UHFFFAOYSA-N -1 3 371.788 3.123 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)OCc1ccc2ncccc2c1 ZINC000737801209 598857311 /nfs/dbraw/zinc/85/73/11/598857311.db2.gz MRVIBKHGWSTNMP-NTMALXAHSA-N -1 3 357.373 3.172 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)OCc1ccc2ncccc2c1 ZINC000737801209 598857312 /nfs/dbraw/zinc/85/73/12/598857312.db2.gz MRVIBKHGWSTNMP-NTMALXAHSA-N -1 3 357.373 3.172 20 0 FGADHM Cc1ccc2oc(SCC(=O)Nc3sccc3-c3nnn[n-]3)nc2c1 ZINC000737380760 598861934 /nfs/dbraw/zinc/86/19/34/598861934.db2.gz RDIXHWDDXUFWHP-UHFFFAOYSA-N -1 3 372.435 3.109 20 0 FGADHM Cc1ccc2oc(SCC(=O)Nc3sccc3-c3nn[n-]n3)nc2c1 ZINC000737380760 598861936 /nfs/dbraw/zinc/86/19/36/598861936.db2.gz RDIXHWDDXUFWHP-UHFFFAOYSA-N -1 3 372.435 3.109 20 0 FGADHM O=C(O[C@H]1CCCC[C@H]1c1ccc(F)cc1)c1ccc(-c2nnn[n-]2)cn1 ZINC000738213814 598864989 /nfs/dbraw/zinc/86/49/89/598864989.db2.gz HQCWOZDZMYOJPD-RDJZCZTQSA-N -1 3 367.384 3.284 20 0 FGADHM O=C(O[C@H]1CCCC[C@H]1c1ccc(F)cc1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738213814 598864991 /nfs/dbraw/zinc/86/49/91/598864991.db2.gz HQCWOZDZMYOJPD-RDJZCZTQSA-N -1 3 367.384 3.284 20 0 FGADHM CC(C)c1nc(C(=O)O[C@H](C)COc2cccc(-c3nnn[n-]3)c2)cs1 ZINC000736041560 598881426 /nfs/dbraw/zinc/88/14/26/598881426.db2.gz XWUXEUIGJZLBNX-LLVKDONJSA-N -1 3 373.438 3.071 20 0 FGADHM CC(C)c1nc(C(=O)O[C@H](C)COc2cccc(-c3nn[n-]n3)c2)cs1 ZINC000736041560 598881427 /nfs/dbraw/zinc/88/14/27/598881427.db2.gz XWUXEUIGJZLBNX-LLVKDONJSA-N -1 3 373.438 3.071 20 0 FGADHM Cc1ccc(C)c(CC(=O)O[C@H](C)COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737320994 598888626 /nfs/dbraw/zinc/88/86/26/598888626.db2.gz AMJKIYLARXQIQH-OAHLLOKOSA-N -1 3 366.421 3.037 20 0 FGADHM Cc1ccc(C)c(CC(=O)O[C@H](C)COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737320994 598888628 /nfs/dbraw/zinc/88/86/28/598888628.db2.gz AMJKIYLARXQIQH-OAHLLOKOSA-N -1 3 366.421 3.037 20 0 FGADHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)c1sccc1C1CC1 ZINC000736039307 598889209 /nfs/dbraw/zinc/88/92/09/598889209.db2.gz IJRNCNMDLDSKEG-LLVKDONJSA-N -1 3 370.434 3.430 20 0 FGADHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)c1sccc1C1CC1 ZINC000736039307 598889210 /nfs/dbraw/zinc/88/92/10/598889210.db2.gz IJRNCNMDLDSKEG-LLVKDONJSA-N -1 3 370.434 3.430 20 0 FGADHM S=C(Nc1ccccc1-c1nnn[n-]1)N1CCC[C@]2(CC=CCC2)C1 ZINC000738408586 598902653 /nfs/dbraw/zinc/90/26/53/598902653.db2.gz NCMHYEWXMDPXAG-GOSISDBHSA-N -1 3 354.483 3.386 20 0 FGADHM S=C(Nc1ccccc1-c1nn[n-]n1)N1CCC[C@]2(CC=CCC2)C1 ZINC000738408586 598902655 /nfs/dbraw/zinc/90/26/55/598902655.db2.gz NCMHYEWXMDPXAG-GOSISDBHSA-N -1 3 354.483 3.386 20 0 FGADHM COc1ccc(Cl)cc1N(C)C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000737099673 598906060 /nfs/dbraw/zinc/90/60/60/598906060.db2.gz MTZYDKOXHGCEDU-UHFFFAOYSA-N -1 3 371.828 3.124 20 0 FGADHM COc1ccc(Cl)cc1N(C)C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000737099673 598906062 /nfs/dbraw/zinc/90/60/62/598906062.db2.gz MTZYDKOXHGCEDU-UHFFFAOYSA-N -1 3 371.828 3.124 20 0 FGADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)NC1(C(F)(F)F)CCCCC1 ZINC000737853711 598910851 /nfs/dbraw/zinc/91/08/51/598910851.db2.gz SYRJZRSOQUAIPD-UHFFFAOYSA-N -1 3 367.375 3.181 20 0 FGADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)NC1(C(F)(F)F)CCCCC1 ZINC000737853711 598910853 /nfs/dbraw/zinc/91/08/53/598910853.db2.gz SYRJZRSOQUAIPD-UHFFFAOYSA-N -1 3 367.375 3.181 20 0 FGADHM CN(C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)[C@@H]1CCc2ccccc2C1 ZINC000736749809 598923387 /nfs/dbraw/zinc/92/33/87/598923387.db2.gz SENDEABLHVEESS-OAHLLOKOSA-N -1 3 366.400 3.027 20 0 FGADHM CN(C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)[C@@H]1CCc2ccccc2C1 ZINC000736749809 598923390 /nfs/dbraw/zinc/92/33/90/598923390.db2.gz SENDEABLHVEESS-OAHLLOKOSA-N -1 3 366.400 3.027 20 0 FGADHM Cc1ccc2cccc(NC(=O)N(C)Cc3cccc(-c4nnn[n-]4)c3)c2n1 ZINC000737375316 598923770 /nfs/dbraw/zinc/92/37/70/598923770.db2.gz UENSHDHXDMJCBK-UHFFFAOYSA-N -1 3 373.420 3.387 20 0 FGADHM Cc1ccc2cccc(NC(=O)N(C)Cc3cccc(-c4nn[n-]n4)c3)c2n1 ZINC000737375316 598923771 /nfs/dbraw/zinc/92/37/71/598923771.db2.gz UENSHDHXDMJCBK-UHFFFAOYSA-N -1 3 373.420 3.387 20 0 FGADHM Clc1cc(-c2nnn[n-]2)cnc1Nc1cccc(OC[C@@H]2CCCO2)c1 ZINC000737559436 598937632 /nfs/dbraw/zinc/93/76/32/598937632.db2.gz XLXCNWRAXRCCKV-AWEZNQCLSA-N -1 3 372.816 3.217 20 0 FGADHM Clc1cc(-c2nn[n-]n2)cnc1Nc1cccc(OC[C@@H]2CCCO2)c1 ZINC000737559436 598937633 /nfs/dbraw/zinc/93/76/33/598937633.db2.gz XLXCNWRAXRCCKV-AWEZNQCLSA-N -1 3 372.816 3.217 20 0 FGADHM CCOCCOCc1cccc(Nc2ncc(-c3nnn[n-]3)cc2Cl)c1 ZINC000736627448 598938680 /nfs/dbraw/zinc/93/86/80/598938680.db2.gz VHEYERBCPSALKT-UHFFFAOYSA-N -1 3 374.832 3.212 20 0 FGADHM CCOCCOCc1cccc(Nc2ncc(-c3nn[n-]n3)cc2Cl)c1 ZINC000736627448 598938682 /nfs/dbraw/zinc/93/86/82/598938682.db2.gz VHEYERBCPSALKT-UHFFFAOYSA-N -1 3 374.832 3.212 20 0 FGADHM Fc1ccc(C[C@@H]2CCCN2c2ncc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000737652638 598939568 /nfs/dbraw/zinc/93/95/68/598939568.db2.gz ZSNIDHHTPAZKRK-AWEZNQCLSA-N -1 3 358.808 3.266 20 0 FGADHM Fc1ccc(C[C@@H]2CCCN2c2ncc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000737652638 598939569 /nfs/dbraw/zinc/93/95/69/598939569.db2.gz ZSNIDHHTPAZKRK-AWEZNQCLSA-N -1 3 358.808 3.266 20 0 FGADHM Cc1ccc(C[C@H]2CCCN2c2ncc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000737336118 598943231 /nfs/dbraw/zinc/94/32/31/598943231.db2.gz XKMDQDWLCPOMGJ-OAHLLOKOSA-N -1 3 354.845 3.435 20 0 FGADHM Cc1ccc(C[C@H]2CCCN2c2ncc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000737336118 598943232 /nfs/dbraw/zinc/94/32/32/598943232.db2.gz XKMDQDWLCPOMGJ-OAHLLOKOSA-N -1 3 354.845 3.435 20 0 FGADHM CC(C)C[C@H]1CCCCCN1C(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000735796247 598943568 /nfs/dbraw/zinc/94/35/68/598943568.db2.gz XWUZQYZJYBGTMP-MRXNPFEDSA-N -1 3 357.458 3.063 20 0 FGADHM O=C(Cc1c[nH]c2ccc(F)cc12)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737954649 598982182 /nfs/dbraw/zinc/98/21/82/598982182.db2.gz OIGINDVWEZPWLF-UHFFFAOYSA-N -1 3 370.775 3.322 20 0 FGADHM O=C(Cc1c[nH]c2ccc(F)cc12)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737954649 598982184 /nfs/dbraw/zinc/98/21/84/598982184.db2.gz OIGINDVWEZPWLF-UHFFFAOYSA-N -1 3 370.775 3.322 20 0 FGADHM Cc1cc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)ccc1C(C)C ZINC000737281409 598995112 /nfs/dbraw/zinc/99/51/12/598995112.db2.gz XRROOWPCRQWEOV-UHFFFAOYSA-N -1 3 372.450 3.375 20 0 FGADHM Cc1cc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)ccc1C(C)C ZINC000737281409 598995114 /nfs/dbraw/zinc/99/51/14/598995114.db2.gz XRROOWPCRQWEOV-UHFFFAOYSA-N -1 3 372.450 3.375 20 0 FGADHM NC(=O)[C@@H](S[C@@H]1CCCc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000737743042 599013292 /nfs/dbraw/zinc/01/32/92/599013292.db2.gz SLHNTNSMZJNMBE-SJORKVTESA-N -1 3 365.462 3.204 20 0 FGADHM NC(=O)[C@@H](S[C@@H]1CCCc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000737743042 599013293 /nfs/dbraw/zinc/01/32/93/599013293.db2.gz SLHNTNSMZJNMBE-SJORKVTESA-N -1 3 365.462 3.204 20 0 FGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)NC1(c2cccc(Cl)c2)CC1 ZINC000738179704 599013440 /nfs/dbraw/zinc/01/34/40/599013440.db2.gz ZTWWVPUNLRHQPY-UHFFFAOYSA-N -1 3 354.801 3.331 20 0 FGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)NC1(c2cccc(Cl)c2)CC1 ZINC000738179704 599013442 /nfs/dbraw/zinc/01/34/42/599013442.db2.gz ZTWWVPUNLRHQPY-UHFFFAOYSA-N -1 3 354.801 3.331 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C[C@@H]1CCc2ccccc21 ZINC000736633420 599015725 /nfs/dbraw/zinc/01/57/25/599015725.db2.gz AONWSKFRBKJSMK-AWEZNQCLSA-N -1 3 363.421 3.324 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C[C@@H]1CCc2ccccc21 ZINC000736633420 599015727 /nfs/dbraw/zinc/01/57/27/599015727.db2.gz AONWSKFRBKJSMK-AWEZNQCLSA-N -1 3 363.421 3.324 20 0 FGADHM CC(C)CC[C@@H](NC(=O)COc1ccc(-c2nn[n-]n2)cc1)C(C)(C)C ZINC000735796699 599016342 /nfs/dbraw/zinc/01/63/42/599016342.db2.gz GYSKZCYQKXGJPP-MRXNPFEDSA-N -1 3 359.474 3.213 20 0 FGADHM C[C@@H]1CCC[C@H](CCNC(=O)CSc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736247712 599016775 /nfs/dbraw/zinc/01/67/75/599016775.db2.gz GUFVIWMQZKQHRE-ZIAGYGMSSA-N -1 3 359.499 3.291 20 0 FGADHM C[C@@H]1CCC[C@H](CCNC(=O)CSc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736247712 599016776 /nfs/dbraw/zinc/01/67/76/599016776.db2.gz GUFVIWMQZKQHRE-ZIAGYGMSSA-N -1 3 359.499 3.291 20 0 FGADHM O=C(Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1)c1ccncc1F ZINC000738251396 599033807 /nfs/dbraw/zinc/03/38/07/599033807.db2.gz NJIRPWXGSTURIX-UHFFFAOYSA-N -1 3 361.336 3.287 20 0 FGADHM O=C(Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1)c1ccncc1F ZINC000738251396 599033808 /nfs/dbraw/zinc/03/38/08/599033808.db2.gz NJIRPWXGSTURIX-UHFFFAOYSA-N -1 3 361.336 3.287 20 0 FGADHM CN(Cc1ccc(F)cc1)c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000736819018 599039299 /nfs/dbraw/zinc/03/92/99/599039299.db2.gz FSBLCRVYXRQFTN-UHFFFAOYSA-N -1 3 352.295 3.056 20 0 FGADHM CN(Cc1ccc(F)cc1)c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000736819018 599039302 /nfs/dbraw/zinc/03/93/02/599039302.db2.gz FSBLCRVYXRQFTN-UHFFFAOYSA-N -1 3 352.295 3.056 20 0 FGADHM CCN(Cc1cccc(-c2ccncc2)c1)c1ccc(-c2nnn[n-]2)cn1 ZINC000821222416 599042018 /nfs/dbraw/zinc/04/20/18/599042018.db2.gz RDSPBCTZVZKTNP-UHFFFAOYSA-N -1 3 357.421 3.350 20 0 FGADHM CCN(Cc1cccc(-c2ccncc2)c1)c1ccc(-c2nn[n-]n2)cn1 ZINC000821222416 599042021 /nfs/dbraw/zinc/04/20/21/599042021.db2.gz RDSPBCTZVZKTNP-UHFFFAOYSA-N -1 3 357.421 3.350 20 0 FGADHM FC(F)(F)c1cc(N2CCCC3(CCOCC3)C2)ccc1-c1nnn[n-]1 ZINC000822724068 599045247 /nfs/dbraw/zinc/04/52/47/599045247.db2.gz XZLRRDCIXSSIBS-UHFFFAOYSA-N -1 3 367.375 3.283 20 0 FGADHM FC(F)(F)c1cc(N2CCCC3(CCOCC3)C2)ccc1-c1nn[n-]n1 ZINC000822724068 599045250 /nfs/dbraw/zinc/04/52/50/599045250.db2.gz XZLRRDCIXSSIBS-UHFFFAOYSA-N -1 3 367.375 3.283 20 0 FGADHM CC(C)(C)OC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000819946923 599045389 /nfs/dbraw/zinc/04/53/89/599045389.db2.gz WKDBQUWMIMAAFG-UHFFFAOYSA-N -1 3 354.370 3.401 20 0 FGADHM CC(C)(C)OC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000819946923 599045392 /nfs/dbraw/zinc/04/53/92/599045392.db2.gz WKDBQUWMIMAAFG-UHFFFAOYSA-N -1 3 354.370 3.401 20 0 FGADHM Brc1ccccc1C1(CNc2ncccc2-c2nnn[n-]2)CC1 ZINC000735368093 599045660 /nfs/dbraw/zinc/04/56/60/599045660.db2.gz FJPGDZXBTOMDFN-UHFFFAOYSA-N -1 3 371.242 3.168 20 0 FGADHM Brc1ccccc1C1(CNc2ncccc2-c2nn[n-]n2)CC1 ZINC000735368093 599045663 /nfs/dbraw/zinc/04/56/63/599045663.db2.gz FJPGDZXBTOMDFN-UHFFFAOYSA-N -1 3 371.242 3.168 20 0 FGADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(N2CCC[C@@H]2c2ccccn2)n1 ZINC000737634221 599047617 /nfs/dbraw/zinc/04/76/17/599047617.db2.gz ZGRRQJRSHGBDLM-GFCCVEGCSA-N -1 3 361.331 3.017 20 0 FGADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(N2CCC[C@@H]2c2ccccn2)n1 ZINC000737634221 599047620 /nfs/dbraw/zinc/04/76/20/599047620.db2.gz ZGRRQJRSHGBDLM-GFCCVEGCSA-N -1 3 361.331 3.017 20 0 FGADHM Cc1cccc(C2(O)CCN(c3ccc(F)cc3-c3nnn[n-]3)CC2)c1C ZINC000822299803 599048588 /nfs/dbraw/zinc/04/85/88/599048588.db2.gz VFXVSSYDPREDQP-UHFFFAOYSA-N -1 3 367.428 3.111 20 0 FGADHM Cc1cccc(C2(O)CCN(c3ccc(F)cc3-c3nn[n-]n3)CC2)c1C ZINC000822299803 599048591 /nfs/dbraw/zinc/04/85/91/599048591.db2.gz VFXVSSYDPREDQP-UHFFFAOYSA-N -1 3 367.428 3.111 20 0 FGADHM CCCO[C@@H]1CCCN(c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)CC1 ZINC000736487714 599056794 /nfs/dbraw/zinc/05/67/94/599056794.db2.gz HYGKLWFXOVKGDP-LLVKDONJSA-N -1 3 370.379 3.066 20 0 FGADHM CCCO[C@@H]1CCCN(c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)CC1 ZINC000736487714 599056797 /nfs/dbraw/zinc/05/67/97/599056797.db2.gz HYGKLWFXOVKGDP-LLVKDONJSA-N -1 3 370.379 3.066 20 0 FGADHM Fc1ccc(N2CC[C@H](COCc3ccccc3)C2)c(-c2nnn[n-]2)c1 ZINC000822778506 599063447 /nfs/dbraw/zinc/06/34/47/599063447.db2.gz JRJBAAHANLEKSY-HNNXBMFYSA-N -1 3 353.401 3.049 20 0 FGADHM Fc1ccc(N2CC[C@H](COCc3ccccc3)C2)c(-c2nn[n-]n2)c1 ZINC000822778506 599063450 /nfs/dbraw/zinc/06/34/50/599063450.db2.gz JRJBAAHANLEKSY-HNNXBMFYSA-N -1 3 353.401 3.049 20 0 FGADHM Cc1cccc(NC(=O)[C@@H](C)Sc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000737398269 599064269 /nfs/dbraw/zinc/06/42/69/599064269.db2.gz GUJYJPZYJBCDEI-LLVKDONJSA-N -1 3 357.414 3.434 20 0 FGADHM Cc1cccc(NC(=O)[C@@H](C)Sc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000737398269 599064271 /nfs/dbraw/zinc/06/42/71/599064271.db2.gz GUJYJPZYJBCDEI-LLVKDONJSA-N -1 3 357.414 3.434 20 0 FGADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)c1c(F)cc(F)cc1F ZINC000738162932 599069811 /nfs/dbraw/zinc/06/98/11/599069811.db2.gz IDFUZQLKHSWMSO-UHFFFAOYSA-N -1 3 353.691 3.190 20 0 FGADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)c1c(F)cc(F)cc1F ZINC000738162932 599069814 /nfs/dbraw/zinc/06/98/14/599069814.db2.gz IDFUZQLKHSWMSO-UHFFFAOYSA-N -1 3 353.691 3.190 20 0 FGADHM CS[C@H]1CC[C@@H](Nc2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)C1 ZINC000821951356 599072877 /nfs/dbraw/zinc/07/28/77/599072877.db2.gz XJNONTYWUJDWMZ-ZJUUUORDSA-N -1 3 362.409 3.389 20 0 FGADHM CS[C@H]1CC[C@@H](Nc2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)C1 ZINC000821951356 599072879 /nfs/dbraw/zinc/07/28/79/599072879.db2.gz XJNONTYWUJDWMZ-ZJUUUORDSA-N -1 3 362.409 3.389 20 0 FGADHM CN(C(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F)c1ccc(-c2nnn[n-]2)cc1F ZINC000736733123 599073182 /nfs/dbraw/zinc/07/31/82/599073182.db2.gz QVQMGWOLCCBRIA-VXGBXAGGSA-N -1 3 373.338 3.051 20 0 FGADHM CN(C(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F)c1ccc(-c2nn[n-]n2)cc1F ZINC000736733123 599073185 /nfs/dbraw/zinc/07/31/85/599073185.db2.gz QVQMGWOLCCBRIA-VXGBXAGGSA-N -1 3 373.338 3.051 20 0 FGADHM COc1ccc(O[C@@H](C)CNc2c(F)cc(-c3nnn[n-]3)cc2F)cc1 ZINC000821839431 599075738 /nfs/dbraw/zinc/07/57/38/599075738.db2.gz VCZLJBLVYLMBEU-JTQLQIEISA-N -1 3 361.352 3.033 20 0 FGADHM COc1ccc(O[C@@H](C)CNc2c(F)cc(-c3nn[n-]n3)cc2F)cc1 ZINC000821839431 599075740 /nfs/dbraw/zinc/07/57/40/599075740.db2.gz VCZLJBLVYLMBEU-JTQLQIEISA-N -1 3 361.352 3.033 20 0 FGADHM COc1ccccc1O[C@@H](C)CNc1c(Cl)cccc1-c1nnn[n-]1 ZINC000821904140 599077729 /nfs/dbraw/zinc/07/77/29/599077729.db2.gz REAJICZLJWIPOY-NSHDSACASA-N -1 3 359.817 3.408 20 0 FGADHM COc1ccccc1O[C@@H](C)CNc1c(Cl)cccc1-c1nn[n-]n1 ZINC000821904140 599077732 /nfs/dbraw/zinc/07/77/32/599077732.db2.gz REAJICZLJWIPOY-NSHDSACASA-N -1 3 359.817 3.408 20 0 FGADHM CCSCc1cccc(NC(=O)COc2ccccc2-c2nnn[n-]2)c1 ZINC000736666676 599084167 /nfs/dbraw/zinc/08/41/67/599084167.db2.gz MIMTWDFPUXZNDI-UHFFFAOYSA-N -1 3 369.450 3.137 20 0 FGADHM CCSCc1cccc(NC(=O)COc2ccccc2-c2nn[n-]n2)c1 ZINC000736666676 599084170 /nfs/dbraw/zinc/08/41/70/599084170.db2.gz MIMTWDFPUXZNDI-UHFFFAOYSA-N -1 3 369.450 3.137 20 0 FGADHM O=C(c1cccc(-c2nnn[n-]2)c1)N(Cc1ccoc1)C1CCCCC1 ZINC000738271600 599086203 /nfs/dbraw/zinc/08/62/03/599086203.db2.gz ZADOVSVHMDRHOS-UHFFFAOYSA-N -1 3 351.410 3.435 20 0 FGADHM O=C(c1cccc(-c2nn[n-]n2)c1)N(Cc1ccoc1)C1CCCCC1 ZINC000738271600 599086206 /nfs/dbraw/zinc/08/62/06/599086206.db2.gz ZADOVSVHMDRHOS-UHFFFAOYSA-N -1 3 351.410 3.435 20 0 FGADHM CC[C@H](Nc1cccc(F)c1-c1nnn[n-]1)c1ccc2c(c1)OCCO2 ZINC000820925756 599095842 /nfs/dbraw/zinc/09/58/42/599095842.db2.gz LLACOHYSKQKRRN-ZDUSSCGKSA-N -1 3 355.373 3.340 20 0 FGADHM CC[C@H](Nc1cccc(F)c1-c1nn[n-]n1)c1ccc2c(c1)OCCO2 ZINC000820925756 599095845 /nfs/dbraw/zinc/09/58/45/599095845.db2.gz LLACOHYSKQKRRN-ZDUSSCGKSA-N -1 3 355.373 3.340 20 0 FGADHM C[C@H](CNC(=O)CSc1ccc(-c2nnn[n-]2)cc1)Cc1cccs1 ZINC000736014343 599095947 /nfs/dbraw/zinc/09/59/47/599095947.db2.gz MAGQHYLVJGPVRR-LBPRGKRZSA-N -1 3 373.507 3.015 20 0 FGADHM C[C@H](CNC(=O)CSc1ccc(-c2nn[n-]n2)cc1)Cc1cccs1 ZINC000736014343 599095950 /nfs/dbraw/zinc/09/59/50/599095950.db2.gz MAGQHYLVJGPVRR-LBPRGKRZSA-N -1 3 373.507 3.015 20 0 FGADHM c1cc(-c2ccc(-c3nnn[n-]3)cc2)ccc1OCCOC[C@@H]1CCCO1 ZINC000823737769 599124784 /nfs/dbraw/zinc/12/47/84/599124784.db2.gz KBISLYKMSPXYIV-IBGZPJMESA-N -1 3 366.421 3.108 20 0 FGADHM c1cc(-c2ccc(-c3nn[n-]n3)cc2)ccc1OCCOC[C@@H]1CCCO1 ZINC000823737769 599124785 /nfs/dbraw/zinc/12/47/85/599124785.db2.gz KBISLYKMSPXYIV-IBGZPJMESA-N -1 3 366.421 3.108 20 0 FGADHM COc1ccccc1[C@H](C)SCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000821882780 599128462 /nfs/dbraw/zinc/12/84/62/599128462.db2.gz KNANYMBAAWIVLO-LBPRGKRZSA-N -1 3 369.450 3.308 20 0 FGADHM COc1ccccc1[C@H](C)SCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000821882780 599128465 /nfs/dbraw/zinc/12/84/65/599128465.db2.gz KNANYMBAAWIVLO-LBPRGKRZSA-N -1 3 369.450 3.308 20 0 FGADHM C[C@@H]1CN(Cc2cc(-c3nnn[n-]3)ccc2F)C[C@@H](c2ccc(F)cc2)O1 ZINC000736288171 599141565 /nfs/dbraw/zinc/14/15/65/599141565.db2.gz RNQLRAMHEJKUOC-XIKOKIGWSA-N -1 3 371.391 3.107 20 0 FGADHM C[C@@H]1CN(Cc2cc(-c3nn[n-]n3)ccc2F)C[C@@H](c2ccc(F)cc2)O1 ZINC000736288171 599141566 /nfs/dbraw/zinc/14/15/66/599141566.db2.gz RNQLRAMHEJKUOC-XIKOKIGWSA-N -1 3 371.391 3.107 20 0 FGADHM Cc1ccc([C@H](C)C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)o1 ZINC000822227331 599147715 /nfs/dbraw/zinc/14/77/15/599147715.db2.gz DTZCCWRILNGFDC-AWEZNQCLSA-N -1 3 353.426 3.309 20 0 FGADHM Cc1ccc([C@H](C)C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)o1 ZINC000822227331 599147717 /nfs/dbraw/zinc/14/77/17/599147717.db2.gz DTZCCWRILNGFDC-AWEZNQCLSA-N -1 3 353.426 3.309 20 0 FGADHM CCCCC[C@@H](C)CC(=O)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000821049947 599148805 /nfs/dbraw/zinc/14/88/05/599148805.db2.gz OCWUMTRTXVSMNP-MRXNPFEDSA-N -1 3 370.501 3.122 20 0 FGADHM CCCCC[C@@H](C)CC(=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000821049947 599148809 /nfs/dbraw/zinc/14/88/09/599148809.db2.gz OCWUMTRTXVSMNP-MRXNPFEDSA-N -1 3 370.501 3.122 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000738163133 599161562 /nfs/dbraw/zinc/16/15/62/599161562.db2.gz OQHRORGKGDHDIM-VHSXEESVSA-N -1 3 359.311 3.026 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000738163133 599161563 /nfs/dbraw/zinc/16/15/63/599161563.db2.gz OQHRORGKGDHDIM-VHSXEESVSA-N -1 3 359.311 3.026 20 0 FGADHM Clc1ccc(SCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)nc1 ZINC000737573994 599165210 /nfs/dbraw/zinc/16/52/10/599165210.db2.gz NTNKQRPWJGVKCW-UHFFFAOYSA-N -1 3 371.813 3.257 20 0 FGADHM Clc1ccc(SCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)nc1 ZINC000737573994 599165211 /nfs/dbraw/zinc/16/52/11/599165211.db2.gz NTNKQRPWJGVKCW-UHFFFAOYSA-N -1 3 371.813 3.257 20 0 FGADHM C[C@H]1C[C@H](CC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)CC(C)(C)C1 ZINC000820659443 599165632 /nfs/dbraw/zinc/16/56/32/599165632.db2.gz XHCODQVTTVUPEC-QWHCGFSZSA-N -1 3 359.449 3.475 20 0 FGADHM C[C@H]1C[C@H](CC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)CC(C)(C)C1 ZINC000820659443 599165635 /nfs/dbraw/zinc/16/56/35/599165635.db2.gz XHCODQVTTVUPEC-QWHCGFSZSA-N -1 3 359.449 3.475 20 0 FGADHM CC(C)[C@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(=O)NC(C)(C)C ZINC000735733440 599166034 /nfs/dbraw/zinc/16/60/34/599166034.db2.gz AKTYNHOCIJUWRZ-ZDUSSCGKSA-N -1 3 351.451 3.037 20 0 FGADHM CC(C)[C@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(=O)NC(C)(C)C ZINC000735733440 599166037 /nfs/dbraw/zinc/16/60/37/599166037.db2.gz AKTYNHOCIJUWRZ-ZDUSSCGKSA-N -1 3 351.451 3.037 20 0 FGADHM O=c1[nH]c2ccccc2n1CCCSc1ccc(-c2nnn[n-]2)cc1F ZINC000738370311 599172066 /nfs/dbraw/zinc/17/20/66/599172066.db2.gz BUQSGTBTPUKFSY-UHFFFAOYSA-N -1 3 370.413 3.244 20 0 FGADHM O=c1[nH]c2ccccc2n1CCCSc1ccc(-c2nn[n-]n2)cc1F ZINC000738370311 599172067 /nfs/dbraw/zinc/17/20/67/599172067.db2.gz BUQSGTBTPUKFSY-UHFFFAOYSA-N -1 3 370.413 3.244 20 0 FGADHM CC[C@H](C)[C@H](C(=O)NCc1cc(-c2nnn[n-]2)ccc1F)c1ccccc1 ZINC000820863488 599176114 /nfs/dbraw/zinc/17/61/14/599176114.db2.gz UGQNRELUINEVNI-UGSOOPFHSA-N -1 3 367.428 3.452 20 0 FGADHM CC[C@H](C)[C@H](C(=O)NCc1cc(-c2nn[n-]n2)ccc1F)c1ccccc1 ZINC000820863488 599176116 /nfs/dbraw/zinc/17/61/16/599176116.db2.gz UGQNRELUINEVNI-UGSOOPFHSA-N -1 3 367.428 3.452 20 0 FGADHM CC[C@H](CC(=O)NCc1cc(-c2nnn[n-]2)ccc1F)c1ccccc1 ZINC000820882483 599176709 /nfs/dbraw/zinc/17/67/09/599176709.db2.gz RUDMOPDOVCAXJI-CYBMUJFWSA-N -1 3 353.401 3.206 20 0 FGADHM CC[C@H](CC(=O)NCc1cc(-c2nn[n-]n2)ccc1F)c1ccccc1 ZINC000820882483 599176711 /nfs/dbraw/zinc/17/67/11/599176711.db2.gz RUDMOPDOVCAXJI-CYBMUJFWSA-N -1 3 353.401 3.206 20 0 FGADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)c1c[nH]c2cc(Cl)ccc12 ZINC000823239165 599177073 /nfs/dbraw/zinc/17/70/73/599177073.db2.gz XGTDZTNIGYYEPX-UHFFFAOYSA-N -1 3 370.775 3.071 20 0 FGADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)c1c[nH]c2cc(Cl)ccc12 ZINC000823239165 599177074 /nfs/dbraw/zinc/17/70/74/599177074.db2.gz XGTDZTNIGYYEPX-UHFFFAOYSA-N -1 3 370.775 3.071 20 0 FGADHM Cc1ccncc1C(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@H](C)C2 ZINC000737442689 599178653 /nfs/dbraw/zinc/17/86/53/599178653.db2.gz GEHSLLWZTHIMOP-VIFPVBQESA-N -1 3 354.439 3.009 20 0 FGADHM Cc1ccncc1C(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@H](C)C2 ZINC000737442689 599178655 /nfs/dbraw/zinc/17/86/55/599178655.db2.gz GEHSLLWZTHIMOP-VIFPVBQESA-N -1 3 354.439 3.009 20 0 FGADHM CCCc1cc(C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)sc1C ZINC000821138729 599178807 /nfs/dbraw/zinc/17/88/07/599178807.db2.gz GBCUZAJNQSAKTM-UHFFFAOYSA-N -1 3 359.430 3.258 20 0 FGADHM CCCc1cc(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)sc1C ZINC000821138729 599178808 /nfs/dbraw/zinc/17/88/08/599178808.db2.gz GBCUZAJNQSAKTM-UHFFFAOYSA-N -1 3 359.430 3.258 20 0 FGADHM O=C(Nc1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1)[C@@H]1Cc2ccccc21 ZINC000738211578 599179391 /nfs/dbraw/zinc/17/93/91/599179391.db2.gz OFXKKJSGNNWUBP-OAHLLOKOSA-N -1 3 374.429 3.269 20 0 FGADHM O=C(Nc1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1)[C@@H]1Cc2ccccc21 ZINC000738211578 599179393 /nfs/dbraw/zinc/17/93/93/599179393.db2.gz OFXKKJSGNNWUBP-OAHLLOKOSA-N -1 3 374.429 3.269 20 0 FGADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H]1CCSc2ccccc21 ZINC000736819694 599183310 /nfs/dbraw/zinc/18/33/10/599183310.db2.gz HOCNNDJAPGIBCU-MRXNPFEDSA-N -1 3 365.462 3.105 20 0 FGADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H]1CCSc2ccccc21 ZINC000736819694 599183312 /nfs/dbraw/zinc/18/33/12/599183312.db2.gz HOCNNDJAPGIBCU-MRXNPFEDSA-N -1 3 365.462 3.105 20 0 FGADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H]1CCSc2ccccc21 ZINC000736819693 599183220 /nfs/dbraw/zinc/18/32/20/599183220.db2.gz HOCNNDJAPGIBCU-INIZCTEOSA-N -1 3 365.462 3.105 20 0 FGADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H]1CCSc2ccccc21 ZINC000736819693 599183222 /nfs/dbraw/zinc/18/32/22/599183222.db2.gz HOCNNDJAPGIBCU-INIZCTEOSA-N -1 3 365.462 3.105 20 0 FGADHM Cc1ccc([C@@H]2CCCN2C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)o1 ZINC000737330522 599189233 /nfs/dbraw/zinc/18/92/33/599189233.db2.gz JUUIRSVMZJMBQV-HNNXBMFYSA-N -1 3 352.398 3.446 20 0 FGADHM Cc1ccc([C@@H]2CCCN2C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)o1 ZINC000737330522 599189236 /nfs/dbraw/zinc/18/92/36/599189236.db2.gz JUUIRSVMZJMBQV-HNNXBMFYSA-N -1 3 352.398 3.446 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000738229975 599186446 /nfs/dbraw/zinc/18/64/46/599186446.db2.gz CLWBZLMJCMGEDJ-CHWSQXEVSA-N -1 3 374.322 3.131 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000738229975 599186450 /nfs/dbraw/zinc/18/64/50/599186450.db2.gz CLWBZLMJCMGEDJ-CHWSQXEVSA-N -1 3 374.322 3.131 20 0 FGADHM Cc1cc(NC(=O)Cc2ccc(-c3nnn[n-]3)cc2)c2cccnc2c1C ZINC000822208276 599197783 /nfs/dbraw/zinc/19/77/83/599197783.db2.gz KDBLAFRSRVYJLJ-UHFFFAOYSA-N -1 3 358.405 3.213 20 0 FGADHM Cc1cc(NC(=O)Cc2ccc(-c3nn[n-]n3)cc2)c2cccnc2c1C ZINC000822208276 599197786 /nfs/dbraw/zinc/19/77/86/599197786.db2.gz KDBLAFRSRVYJLJ-UHFFFAOYSA-N -1 3 358.405 3.213 20 0 FGADHM Cc1ccc2[nH]c(C(=O)N(C)Cc3ccc(-c4nnn[n-]4)cc3)cc2c1C ZINC000737373289 599200602 /nfs/dbraw/zinc/20/06/02/599200602.db2.gz SSFDIWNONQDNAV-UHFFFAOYSA-N -1 3 360.421 3.237 20 0 FGADHM Cc1ccc2[nH]c(C(=O)N(C)Cc3ccc(-c4nn[n-]n4)cc3)cc2c1C ZINC000737373289 599200604 /nfs/dbraw/zinc/20/06/04/599200604.db2.gz SSFDIWNONQDNAV-UHFFFAOYSA-N -1 3 360.421 3.237 20 0 FGADHM CC[C@]1(C)CCCN(C(=O)[C@@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)C1 ZINC000820950517 599201812 /nfs/dbraw/zinc/20/18/12/599201812.db2.gz OTKULAYCKPPWLH-FXAWDEMLSA-N -1 3 371.485 3.309 20 0 FGADHM CC[C@]1(C)CCCN(C(=O)[C@@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)C1 ZINC000820950517 599201813 /nfs/dbraw/zinc/20/18/13/599201813.db2.gz OTKULAYCKPPWLH-FXAWDEMLSA-N -1 3 371.485 3.309 20 0 FGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N(CCc1ccc(F)cc1)C1CC1 ZINC000738179601 599213603 /nfs/dbraw/zinc/21/36/03/599213603.db2.gz YHUBJAVQEVXQCW-UHFFFAOYSA-N -1 3 366.400 3.245 20 0 FGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N(CCc1ccc(F)cc1)C1CC1 ZINC000738179601 599213605 /nfs/dbraw/zinc/21/36/05/599213605.db2.gz YHUBJAVQEVXQCW-UHFFFAOYSA-N -1 3 366.400 3.245 20 0 FGADHM O=C(CCCC1CCCCC1)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000737826119 599217959 /nfs/dbraw/zinc/21/79/59/599217959.db2.gz PTVYPFJIYDHXAR-UHFFFAOYSA-N -1 3 357.458 3.112 20 0 FGADHM CSCCC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000821961120 599218453 /nfs/dbraw/zinc/21/84/53/599218453.db2.gz GVHKTRLNHLXYJW-UHFFFAOYSA-N -1 3 373.413 3.490 20 0 FGADHM CSCCC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000821961120 599218455 /nfs/dbraw/zinc/21/84/55/599218455.db2.gz GVHKTRLNHLXYJW-UHFFFAOYSA-N -1 3 373.413 3.490 20 0 FGADHM CC[C@@H](C)N(Cc1ccccc1)C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000736325920 599218656 /nfs/dbraw/zinc/21/86/56/599218656.db2.gz KWDQYRSTQHFQFX-OAHLLOKOSA-N -1 3 364.453 3.377 20 0 FGADHM CC[C@@H](C)N(Cc1ccccc1)C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000736325920 599218659 /nfs/dbraw/zinc/21/86/59/599218659.db2.gz KWDQYRSTQHFQFX-OAHLLOKOSA-N -1 3 364.453 3.377 20 0 FGADHM CN(C(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1)C1CCC1 ZINC000736742248 599229629 /nfs/dbraw/zinc/22/96/29/599229629.db2.gz YQSGYXZCTDBEPX-UHFFFAOYSA-N -1 3 363.421 3.070 20 0 FGADHM CN(C(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1)C1CCC1 ZINC000736742248 599229632 /nfs/dbraw/zinc/22/96/32/599229632.db2.gz YQSGYXZCTDBEPX-UHFFFAOYSA-N -1 3 363.421 3.070 20 0 FGADHM Cc1ccc(NC(=S)NCc2cc(-c3nnn[n-]3)ccc2F)c(C)c1 ZINC000822254589 599229748 /nfs/dbraw/zinc/22/97/48/599229748.db2.gz NQNJXLDNNLOMQD-UHFFFAOYSA-N -1 3 356.430 3.109 20 0 FGADHM Cc1ccc(NC(=S)NCc2cc(-c3nn[n-]n3)ccc2F)c(C)c1 ZINC000822254589 599229749 /nfs/dbraw/zinc/22/97/49/599229749.db2.gz NQNJXLDNNLOMQD-UHFFFAOYSA-N -1 3 356.430 3.109 20 0 FGADHM O=C(Nc1cccc2ccccc21)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000823368374 607262559 /nfs/dbraw/zinc/26/25/59/607262559.db2.gz VOBNMDUOKGFQLJ-UHFFFAOYSA-N -1 3 350.769 3.321 20 0 FGADHM O=C(Nc1cccc2ccccc21)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000823368374 607262560 /nfs/dbraw/zinc/26/25/60/607262560.db2.gz VOBNMDUOKGFQLJ-UHFFFAOYSA-N -1 3 350.769 3.321 20 0 FGADHM O=C(COc1cccc(-c2nnn[n-]2)c1)N1CCCCCc2ccccc21 ZINC000737924751 599232239 /nfs/dbraw/zinc/23/22/39/599232239.db2.gz KDOMYULVYRBXFB-UHFFFAOYSA-N -1 3 363.421 3.005 20 0 FGADHM O=C(COc1cccc(-c2nn[n-]n2)c1)N1CCCCCc2ccccc21 ZINC000737924751 599232241 /nfs/dbraw/zinc/23/22/41/599232241.db2.gz KDOMYULVYRBXFB-UHFFFAOYSA-N -1 3 363.421 3.005 20 0 FGADHM COc1ccc(Cl)cc1CC(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821824598 607270294 /nfs/dbraw/zinc/27/02/94/607270294.db2.gz NXZDTFJOZSXVCO-UHFFFAOYSA-N -1 3 357.801 3.018 20 0 FGADHM COc1ccc(Cl)cc1CC(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821824598 607270295 /nfs/dbraw/zinc/27/02/95/607270295.db2.gz NXZDTFJOZSXVCO-UHFFFAOYSA-N -1 3 357.801 3.018 20 0 FGADHM C[C@@H]1SCCN(C(=O)c2sccc2-c2nn[n-]n2)[C@H]1c1ccccc1 ZINC000736304430 599303267 /nfs/dbraw/zinc/30/32/67/599303267.db2.gz VXMYNSKEZYNPAD-SMDDNHRTSA-N -1 3 371.491 3.247 20 0 FGADHM CO[C@@H](CNC(=O)Nc1cccc(-c2nnn[n-]2)c1)c1cccc(Cl)c1 ZINC000821676929 599247116 /nfs/dbraw/zinc/24/71/16/599247116.db2.gz KCFVEHYWENOOOX-HNNXBMFYSA-N -1 3 372.816 3.029 20 0 FGADHM CO[C@@H](CNC(=O)Nc1cccc(-c2nn[n-]n2)c1)c1cccc(Cl)c1 ZINC000821676929 599247117 /nfs/dbraw/zinc/24/71/17/599247117.db2.gz KCFVEHYWENOOOX-HNNXBMFYSA-N -1 3 372.816 3.029 20 0 FGADHM O=C([O-])c1ccc(CNC(=O)N[C@@H](CN2CCCC2)c2ccccc2)cc1 ZINC000263138549 597213421 /nfs/dbraw/zinc/21/34/21/597213421.db2.gz ZMQWXINZOZTSKH-IBGZPJMESA-N -1 3 367.449 3.021 20 0 FGADHM Cc1c(NC(=O)N(C)Cc2cccc(Cl)c2)cccc1-c1nnn[n-]1 ZINC000822076224 607281332 /nfs/dbraw/zinc/28/13/32/607281332.db2.gz MNAUJHUVFMUEEM-UHFFFAOYSA-N -1 3 356.817 3.492 20 0 FGADHM Cc1c(NC(=O)N(C)Cc2cccc(Cl)c2)cccc1-c1nn[n-]n1 ZINC000822076224 607281333 /nfs/dbraw/zinc/28/13/33/607281333.db2.gz MNAUJHUVFMUEEM-UHFFFAOYSA-N -1 3 356.817 3.492 20 0 FGADHM Cc1c(NC(=O)NCc2ccccc2OC(C)C)cccc1-c1nnn[n-]1 ZINC000822105061 607281963 /nfs/dbraw/zinc/28/19/63/607281963.db2.gz UOMIEXPQCKWEFO-UHFFFAOYSA-N -1 3 366.425 3.284 20 0 FGADHM Cc1c(NC(=O)NCc2ccccc2OC(C)C)cccc1-c1nn[n-]n1 ZINC000822105061 607281964 /nfs/dbraw/zinc/28/19/64/607281964.db2.gz UOMIEXPQCKWEFO-UHFFFAOYSA-N -1 3 366.425 3.284 20 0 FGADHM O=C([O-])c1ccc(CNC(=O)NC[C@@H](c2cccs2)N2CCCC2)cc1 ZINC000263130021 597284661 /nfs/dbraw/zinc/28/46/61/597284661.db2.gz YVYWMUAIFYYTNZ-INIZCTEOSA-N -1 3 373.478 3.083 20 0 FGADHM Cc1c(NC(=O)N[C@@H]2COc3ccc(Cl)cc32)cccc1-c1nnn[n-]1 ZINC000822092402 607282606 /nfs/dbraw/zinc/28/26/06/607282606.db2.gz XODILYGSXMCNBD-CQSZACIVSA-N -1 3 370.800 3.084 20 0 FGADHM Cc1c(NC(=O)N[C@@H]2COc3ccc(Cl)cc32)cccc1-c1nn[n-]n1 ZINC000822092402 607282607 /nfs/dbraw/zinc/28/26/07/607282607.db2.gz XODILYGSXMCNBD-CQSZACIVSA-N -1 3 370.800 3.084 20 0 FGADHM Cc1cccc([C@H](C)CNC(=O)Nc2cccc(-c3nnn[n-]3)c2C)c1 ZINC000822288913 607282660 /nfs/dbraw/zinc/28/26/60/607282660.db2.gz NAMYABLZIJESSU-CYBMUJFWSA-N -1 3 350.426 3.409 20 0 FGADHM Cc1cccc([C@H](C)CNC(=O)Nc2cccc(-c3nn[n-]n3)c2C)c1 ZINC000822288913 607282661 /nfs/dbraw/zinc/28/26/61/607282661.db2.gz NAMYABLZIJESSU-CYBMUJFWSA-N -1 3 350.426 3.409 20 0 FGADHM Cc1c(NC(=O)N2CCc3sccc3[C@H]2C)cccc1-c1nnn[n-]1 ZINC000822091881 607287592 /nfs/dbraw/zinc/28/75/92/607287592.db2.gz ULAITXFQWZLEIZ-LLVKDONJSA-N -1 3 354.439 3.388 20 0 FGADHM Cc1c(NC(=O)N2CCc3sccc3[C@H]2C)cccc1-c1nn[n-]n1 ZINC000822091881 607287593 /nfs/dbraw/zinc/28/75/93/607287593.db2.gz ULAITXFQWZLEIZ-LLVKDONJSA-N -1 3 354.439 3.388 20 0 FGADHM Cc1cccc(OCCCNC(=O)Nc2cccc(-c3nnn[n-]3)c2C)c1 ZINC000822328375 607287770 /nfs/dbraw/zinc/28/77/70/607287770.db2.gz OPXAEADQXKMKRA-UHFFFAOYSA-N -1 3 366.425 3.074 20 0 FGADHM Cc1cccc(OCCCNC(=O)Nc2cccc(-c3nn[n-]n3)c2C)c1 ZINC000822328375 607287771 /nfs/dbraw/zinc/28/77/71/607287771.db2.gz OPXAEADQXKMKRA-UHFFFAOYSA-N -1 3 366.425 3.074 20 0 FGADHM C[C@H](OCCCNc1c(-c2nnn[n-]2)cnc2ccccc21)c1ccccc1 ZINC000736163509 599261384 /nfs/dbraw/zinc/26/13/84/599261384.db2.gz IPOLEQQUKPHFEI-HNNXBMFYSA-N -1 3 374.448 3.417 20 0 FGADHM C[C@H](OCCCNc1c(-c2nn[n-]n2)cnc2ccccc21)c1ccccc1 ZINC000736163509 599261386 /nfs/dbraw/zinc/26/13/86/599261386.db2.gz IPOLEQQUKPHFEI-HNNXBMFYSA-N -1 3 374.448 3.417 20 0 FGADHM c1cc(-c2nnn[n-]2)sc1CNc1cccc(Oc2cnccn2)c1 ZINC000823758001 607309440 /nfs/dbraw/zinc/30/94/40/607309440.db2.gz ZPHHDTNPFGZJIT-UHFFFAOYSA-N -1 3 351.395 3.123 20 0 FGADHM FC(F)(F)COc1cccc(NCc2cc(-c3nnn[n-]3)cs2)c1 ZINC000822718470 607313695 /nfs/dbraw/zinc/31/36/95/607313695.db2.gz JGFOCGXNHCXHNL-UHFFFAOYSA-N -1 3 355.345 3.481 20 0 FGADHM FC(F)(F)COc1cccc(NCc2cc(-c3nn[n-]n3)cs2)c1 ZINC000822718470 607313696 /nfs/dbraw/zinc/31/36/96/607313696.db2.gz JGFOCGXNHCXHNL-UHFFFAOYSA-N -1 3 355.345 3.481 20 0 FGADHM CC(C)OCCOCc1cccc(NCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000820146352 607313996 /nfs/dbraw/zinc/31/39/96/607313996.db2.gz LOXZURZHTRBKMM-UHFFFAOYSA-N -1 3 367.453 3.420 20 0 FGADHM CC(C)OCCOCc1cccc(NCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000820146352 607313997 /nfs/dbraw/zinc/31/39/97/607313997.db2.gz LOXZURZHTRBKMM-UHFFFAOYSA-N -1 3 367.453 3.420 20 0 FGADHM O=C1CCCCN1Cc1cccc(NCc2ccc(-c3nnn[n-]3)s2)c1 ZINC000823530268 607315634 /nfs/dbraw/zinc/31/56/34/607315634.db2.gz HAIOWKKXJGKOLZ-UHFFFAOYSA-N -1 3 368.466 3.053 20 0 FGADHM O=C(Nc1sccc1-c1nnn[n-]1)c1cccc(OCC(F)(F)F)c1 ZINC000823387477 607304138 /nfs/dbraw/zinc/30/41/38/607304138.db2.gz LKNVNZCDMDQJBM-UHFFFAOYSA-N -1 3 369.328 3.122 20 0 FGADHM O=C(Nc1sccc1-c1nn[n-]n1)c1cccc(OCC(F)(F)F)c1 ZINC000823387477 607304139 /nfs/dbraw/zinc/30/41/39/607304139.db2.gz LKNVNZCDMDQJBM-UHFFFAOYSA-N -1 3 369.328 3.122 20 0 FGADHM Cc1cc([C@H]2CCCN2c2c(-c3nnn[n-]3)cnc3c(C)cccc32)no1 ZINC000737266011 599267621 /nfs/dbraw/zinc/26/76/21/599267621.db2.gz WPXLZNWDXDYMBR-MRXNPFEDSA-N -1 3 361.409 3.361 20 0 FGADHM Cc1cc([C@H]2CCCN2c2c(-c3nn[n-]n3)cnc3c(C)cccc32)no1 ZINC000737266011 599267623 /nfs/dbraw/zinc/26/76/23/599267623.db2.gz WPXLZNWDXDYMBR-MRXNPFEDSA-N -1 3 361.409 3.361 20 0 FGADHM CO[C@@H](C)c1cccc(NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000821673523 599274912 /nfs/dbraw/zinc/27/49/12/599274912.db2.gz DOFPVZDPJFPQIC-STQMWFEESA-N -1 3 366.425 3.457 20 0 FGADHM CO[C@@H](C)c1cccc(NC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000821673523 599274913 /nfs/dbraw/zinc/27/49/13/599274913.db2.gz DOFPVZDPJFPQIC-STQMWFEESA-N -1 3 366.425 3.457 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H](C)c1c(C)noc1C ZINC000736487424 599276929 /nfs/dbraw/zinc/27/69/29/599276929.db2.gz GNEUWDGRTOEVPH-SNVBAGLBSA-N -1 3 369.429 3.036 20 0 FGADHM Cc1ccc([C@H](C)OC(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000822270861 607320455 /nfs/dbraw/zinc/32/04/55/607320455.db2.gz ASMIVFCMHWZWJV-UONOGXRCSA-N -1 3 352.394 3.247 20 0 FGADHM Cc1ccc([C@H](C)OC(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000822270861 607320456 /nfs/dbraw/zinc/32/04/56/607320456.db2.gz ASMIVFCMHWZWJV-UONOGXRCSA-N -1 3 352.394 3.247 20 0 FGADHM CCN(C(=O)c1cccc(Br)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736509015 599310337 /nfs/dbraw/zinc/31/03/37/599310337.db2.gz QJKFLLLCRPARIF-UHFFFAOYSA-N -1 3 372.226 3.296 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H]1CSc2ccccc21 ZINC000737294069 599281156 /nfs/dbraw/zinc/28/11/56/599281156.db2.gz LHFQLPJAQMPLKI-CQSZACIVSA-N -1 3 352.423 3.144 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@H]1CSc2ccccc21 ZINC000737294069 599281157 /nfs/dbraw/zinc/28/11/57/599281157.db2.gz LHFQLPJAQMPLKI-CQSZACIVSA-N -1 3 352.423 3.144 20 0 FGADHM O=C(Oc1cc(F)ccc1Br)c1sccc1-c1nnn[n-]1 ZINC000823445476 607320774 /nfs/dbraw/zinc/32/07/74/607320774.db2.gz XMGHZUIXCAKRBB-UHFFFAOYSA-N -1 3 369.175 3.049 20 0 FGADHM CCN(C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C1CCC1 ZINC000821155324 599289239 /nfs/dbraw/zinc/28/92/39/599289239.db2.gz YCZJJLKEHFHCSP-UHFFFAOYSA-N -1 3 354.336 3.292 20 0 FGADHM CCN(C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C1CCC1 ZINC000821155324 599289241 /nfs/dbraw/zinc/28/92/41/599289241.db2.gz YCZJJLKEHFHCSP-UHFFFAOYSA-N -1 3 354.336 3.292 20 0 FGADHM CCC[C@@](C)(O)C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000821008187 607323401 /nfs/dbraw/zinc/32/34/01/607323401.db2.gz HTUKJNGEQKSMOP-LJQANCHMSA-N -1 3 367.409 3.149 20 0 FGADHM CCC[C@@](C)(O)C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000821008187 607323402 /nfs/dbraw/zinc/32/34/02/607323402.db2.gz HTUKJNGEQKSMOP-LJQANCHMSA-N -1 3 367.409 3.149 20 0 FGADHM CCCOc1cccc(CCNC(=O)Nc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821134471 607325820 /nfs/dbraw/zinc/32/58/20/607325820.db2.gz WTVRYGURTRQDEY-UHFFFAOYSA-N -1 3 366.425 3.020 20 0 FGADHM CCCOc1cccc(CCNC(=O)Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821134471 607325821 /nfs/dbraw/zinc/32/58/21/607325821.db2.gz WTVRYGURTRQDEY-UHFFFAOYSA-N -1 3 366.425 3.020 20 0 FGADHM Clc1ccc(-c2nnn[n-]2)c(NCCc2nnc(-c3ccccc3)o2)c1 ZINC000822567719 607327624 /nfs/dbraw/zinc/32/76/24/607327624.db2.gz FUHIVWZBSZTFHP-UHFFFAOYSA-N -1 3 367.800 3.225 20 0 FGADHM Clc1ccc(-c2nn[n-]n2)c(NCCc2nnc(-c3ccccc3)o2)c1 ZINC000822567719 607327625 /nfs/dbraw/zinc/32/76/25/607327625.db2.gz FUHIVWZBSZTFHP-UHFFFAOYSA-N -1 3 367.800 3.225 20 0 FGADHM Cc1cn(CC(=O)Nc2ccc(-c3ccccc3)cc2)cc1-c1nnn[n-]1 ZINC000822384406 607330521 /nfs/dbraw/zinc/33/05/21/607330521.db2.gz LIRGAHWGBOCTMW-UHFFFAOYSA-N -1 3 358.405 3.282 20 0 FGADHM Cc1cn(CC(=O)Nc2ccc(-c3ccccc3)cc2)cc1-c1nn[n-]n1 ZINC000822384406 607330522 /nfs/dbraw/zinc/33/05/22/607330522.db2.gz LIRGAHWGBOCTMW-UHFFFAOYSA-N -1 3 358.405 3.282 20 0 FGADHM Fc1cc(-c2nnn[n-]2)cc(F)c1N[C@@H]1CCOC2(CCSCC2)C1 ZINC000822737084 607331445 /nfs/dbraw/zinc/33/14/45/607331445.db2.gz PNLISRPBQWCXRL-LLVKDONJSA-N -1 3 367.425 3.002 20 0 FGADHM Fc1cc(-c2nn[n-]n2)cc(F)c1N[C@@H]1CCOC2(CCSCC2)C1 ZINC000822737084 607331446 /nfs/dbraw/zinc/33/14/46/607331446.db2.gz PNLISRPBQWCXRL-LLVKDONJSA-N -1 3 367.425 3.002 20 0 FGADHM Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)c1cccc(C(=O)[O-])c1 ZINC000821103455 598150834 /nfs/dbraw/zinc/15/08/34/598150834.db2.gz JQGCKANDDGEEEO-MJGOQNOKSA-N -1 3 350.418 3.141 20 0 FGADHM CCO[C@H]1C[C@H]1C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736609898 598231941 /nfs/dbraw/zinc/23/19/41/598231941.db2.gz GWNYEBMWZFAZSY-SJORKVTESA-N -1 3 365.393 3.023 20 0 FGADHM CCO[C@H]1C[C@H]1C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736609898 598231943 /nfs/dbraw/zinc/23/19/43/598231943.db2.gz GWNYEBMWZFAZSY-SJORKVTESA-N -1 3 365.393 3.023 20 0 FGADHM O=C(c1cccc(-c2nnn[n-]2)c1)N1CCC(c2ccc(F)c(F)c2)CC1 ZINC000738266546 598235448 /nfs/dbraw/zinc/23/54/48/598235448.db2.gz GQCSABDPJKQTRU-UHFFFAOYSA-N -1 3 369.375 3.165 20 0 FGADHM O=C(c1cccc(-c2nn[n-]n2)c1)N1CCC(c2ccc(F)c(F)c2)CC1 ZINC000738266546 598235449 /nfs/dbraw/zinc/23/54/49/598235449.db2.gz GQCSABDPJKQTRU-UHFFFAOYSA-N -1 3 369.375 3.165 20 0 FGADHM CC(C)(C)CCCC(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000735604741 598237375 /nfs/dbraw/zinc/23/73/75/598237375.db2.gz XYHMYDTUEQCSHJ-UHFFFAOYSA-N -1 3 371.485 3.453 20 0 FGADHM CC(C)(C)CCCC(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000735604741 598237377 /nfs/dbraw/zinc/23/73/77/598237377.db2.gz XYHMYDTUEQCSHJ-UHFFFAOYSA-N -1 3 371.485 3.453 20 0 FGADHM CCC(CC)CNC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000736341580 598239184 /nfs/dbraw/zinc/23/91/84/598239184.db2.gz DLUFOIOSVMDYSQ-UHFFFAOYSA-N -1 3 369.425 3.205 20 0 FGADHM COc1cccc2c1OCC[C@H]2Nc1c(F)cc(-c2nnn[n-]2)cc1F ZINC000737142980 598248082 /nfs/dbraw/zinc/24/80/82/598248082.db2.gz OFQVATJFISBQNI-CYBMUJFWSA-N -1 3 359.336 3.089 20 0 FGADHM COc1cccc2c1OCC[C@H]2Nc1c(F)cc(-c2nn[n-]n2)cc1F ZINC000737142980 598248084 /nfs/dbraw/zinc/24/80/84/598248084.db2.gz OFQVATJFISBQNI-CYBMUJFWSA-N -1 3 359.336 3.089 20 0 FGADHM Cc1cccc2c1CCN(C(=O)Nc1ccc(-c3nnn[n-]3)c(Cl)c1)C2 ZINC000737409073 598264581 /nfs/dbraw/zinc/26/45/81/598264581.db2.gz MPPMDTJGGQWDBV-UHFFFAOYSA-N -1 3 368.828 3.419 20 0 FGADHM Cc1cccc2c1CCN(C(=O)Nc1ccc(-c3nn[n-]n3)c(Cl)c1)C2 ZINC000737409073 598264582 /nfs/dbraw/zinc/26/45/82/598264582.db2.gz MPPMDTJGGQWDBV-UHFFFAOYSA-N -1 3 368.828 3.419 20 0 FGADHM C[C@H](NC(=O)Nc1cc(F)c(F)cc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000736119302 598266219 /nfs/dbraw/zinc/26/62/19/598266219.db2.gz XJCFAPILNMSUSQ-QMMMGPOBSA-N -1 3 362.315 3.167 20 0 FGADHM C[C@H](NC(=O)Nc1cc(F)c(F)cc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000736119302 598266221 /nfs/dbraw/zinc/26/62/21/598266221.db2.gz XJCFAPILNMSUSQ-QMMMGPOBSA-N -1 3 362.315 3.167 20 0 FGADHM CSCCNC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737183330 598267577 /nfs/dbraw/zinc/26/75/77/598267577.db2.gz YJTGSXRYBYFZKP-UHFFFAOYSA-N -1 3 370.438 3.144 20 0 FGADHM CSCCNC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737183330 598267578 /nfs/dbraw/zinc/26/75/78/598267578.db2.gz YJTGSXRYBYFZKP-UHFFFAOYSA-N -1 3 370.438 3.144 20 0 FGADHM CC[C@H](SCC(=O)NCc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000736393243 598273132 /nfs/dbraw/zinc/27/31/32/598273132.db2.gz UWJXRVKBBVQRQE-KRWDZBQOSA-N -1 3 367.478 3.367 20 0 FGADHM CC[C@H](SCC(=O)NCc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000736393243 598273133 /nfs/dbraw/zinc/27/31/33/598273133.db2.gz UWJXRVKBBVQRQE-KRWDZBQOSA-N -1 3 367.478 3.367 20 0 FGADHM Cc1ccccc1CCNC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000737428482 598276957 /nfs/dbraw/zinc/27/69/57/598276957.db2.gz YCFQZPKQMRMRCX-UHFFFAOYSA-N -1 3 367.457 3.096 20 0 FGADHM Cc1ccccc1CCNC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000737428482 598276958 /nfs/dbraw/zinc/27/69/58/598276958.db2.gz YCFQZPKQMRMRCX-UHFFFAOYSA-N -1 3 367.457 3.096 20 0 FGADHM CC[C@@H](NC(=S)Nc1ccccc1-c1nnn[n-]1)c1nc(C)cs1 ZINC000736368226 598277742 /nfs/dbraw/zinc/27/77/42/598277742.db2.gz BDTZEXVALUNYNZ-LLVKDONJSA-N -1 3 359.484 3.069 20 0 FGADHM CC[C@@H](NC(=S)Nc1ccccc1-c1nn[n-]n1)c1nc(C)cs1 ZINC000736368226 598277743 /nfs/dbraw/zinc/27/77/43/598277743.db2.gz BDTZEXVALUNYNZ-LLVKDONJSA-N -1 3 359.484 3.069 20 0 FGADHM c1ccc(Cc2noc(CSCc3ccccc3-c3nnn[n-]3)n2)cc1 ZINC000738432749 598285452 /nfs/dbraw/zinc/28/54/52/598285452.db2.gz KWFJZHBAJIOOBC-UHFFFAOYSA-N -1 3 364.434 3.274 20 0 FGADHM c1ccc(Cc2noc(CSCc3ccccc3-c3nn[n-]n3)n2)cc1 ZINC000738432749 598285455 /nfs/dbraw/zinc/28/54/55/598285455.db2.gz KWFJZHBAJIOOBC-UHFFFAOYSA-N -1 3 364.434 3.274 20 0 FGADHM Cc1ccc2c(CC(=O)N[C@H](C)c3ccc(-c4nnn[n-]4)cc3)c[nH]c2c1 ZINC000737371999 598295966 /nfs/dbraw/zinc/29/59/66/598295966.db2.gz SUVKVCBTHOZCDF-CYBMUJFWSA-N -1 3 360.421 3.076 20 0 FGADHM Cc1ccc2c(CC(=O)N[C@H](C)c3ccc(-c4nn[n-]n4)cc3)c[nH]c2c1 ZINC000737371999 598295968 /nfs/dbraw/zinc/29/59/68/598295968.db2.gz SUVKVCBTHOZCDF-CYBMUJFWSA-N -1 3 360.421 3.076 20 0 FGADHM CSc1cccc(N(C)C(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737193128 598297151 /nfs/dbraw/zinc/29/71/51/598297151.db2.gz XJWUWWRFTBGPEA-LBPRGKRZSA-N -1 3 369.450 3.019 20 0 FGADHM C[C@@H]1C[C@H](CC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)CC(C)(C)C1 ZINC000736232710 598298476 /nfs/dbraw/zinc/29/84/76/598298476.db2.gz ZYHJEVOTCJNXQR-CHWSQXEVSA-N -1 3 359.449 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/nfs/dbraw/zinc/30/94/85/598309485.db2.gz PQENQUYNUAPAEL-UHFFFAOYSA-N -1 3 369.400 3.000 20 0 FGADHM CCOc1ccccc1CCC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000736654062 598309487 /nfs/dbraw/zinc/30/94/87/598309487.db2.gz PQENQUYNUAPAEL-UHFFFAOYSA-N -1 3 369.400 3.000 20 0 FGADHM COCc1cccc(NC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000737017428 598319088 /nfs/dbraw/zinc/31/90/88/598319088.db2.gz OTBJGHJXBSZLRQ-UHFFFAOYSA-N -1 3 374.857 3.475 20 0 FGADHM COCc1cccc(NC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000737017428 598319089 /nfs/dbraw/zinc/31/90/89/598319089.db2.gz OTBJGHJXBSZLRQ-UHFFFAOYSA-N -1 3 374.857 3.475 20 0 FGADHM CCCC[C@H]1CCC[C@H]1NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000736440796 598320284 /nfs/dbraw/zinc/32/02/84/598320284.db2.gz HMNHUVZIGWIUMJ-BLLLJJGKSA-N -1 3 360.437 3.164 20 0 FGADHM CCCC[C@H]1CCC[C@H]1NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000736440796 598320286 /nfs/dbraw/zinc/32/02/86/598320286.db2.gz HMNHUVZIGWIUMJ-BLLLJJGKSA-N -1 3 360.437 3.164 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N1CCC2(CCCCC2)CC1 ZINC000737798653 598329113 /nfs/dbraw/zinc/32/91/13/598329113.db2.gz NDOCIJHYYSALAK-HJWRWDBZSA-N -1 3 351.454 3.453 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N1CCC2(CCCCC2)CC1 ZINC000737798653 598329115 /nfs/dbraw/zinc/32/91/15/598329115.db2.gz NDOCIJHYYSALAK-HJWRWDBZSA-N -1 3 351.454 3.453 20 0 FGADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)N1CCCC[C@@H]1Cc1ccccc1 ZINC000737960865 598332284 /nfs/dbraw/zinc/33/22/84/598332284.db2.gz IQPWQINHJKMDHM-LJQANCHMSA-N -1 3 361.449 3.033 20 0 FGADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)N1CCCC[C@@H]1Cc1ccccc1 ZINC000737960865 598332287 /nfs/dbraw/zinc/33/22/87/598332287.db2.gz IQPWQINHJKMDHM-LJQANCHMSA-N -1 3 361.449 3.033 20 0 FGADHM O=C1OC(c2ccc(-c3nnn[n-]3)cc2)=NC1=Cc1csc2ccccc12 ZINC000738317346 598379309 /nfs/dbraw/zinc/37/93/09/598379309.db2.gz CXOOHMNCLAMDAE-OQLLNIDSSA-N -1 3 373.397 3.426 20 0 FGADHM O=C1OC(c2ccc(-c3nn[n-]n3)cc2)=NC1=Cc1csc2ccccc12 ZINC000738317346 598379310 /nfs/dbraw/zinc/37/93/10/598379310.db2.gz CXOOHMNCLAMDAE-OQLLNIDSSA-N -1 3 373.397 3.426 20 0 FGADHM Cc1c(Br)cccc1NC(=O)c1sccc1-c1nnn[n-]1 ZINC000737201639 598380066 /nfs/dbraw/zinc/38/00/66/598380066.db2.gz FMHUKIXFIXLWON-UHFFFAOYSA-N -1 3 364.228 3.251 20 0 FGADHM Cc1c(Br)cccc1NC(=O)c1sccc1-c1nn[n-]n1 ZINC000737201639 598380068 /nfs/dbraw/zinc/38/00/68/598380068.db2.gz FMHUKIXFIXLWON-UHFFFAOYSA-N -1 3 364.228 3.251 20 0 FGADHM CC(C)(C)[C@H](NC(=O)CNc1ccc(-c2nn[n-]n2)cc1)c1cccs1 ZINC000735590229 598382326 /nfs/dbraw/zinc/38/23/26/598382326.db2.gz WNJVJBVQTNWTDK-MRXNPFEDSA-N -1 3 370.482 3.244 20 0 FGADHM Fc1ccc(OCCCCNc2ncc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000737656435 598388687 /nfs/dbraw/zinc/38/86/87/598388687.db2.gz MNZJXZHJHUWHNQ-UHFFFAOYSA-N -1 3 362.796 3.325 20 0 FGADHM Fc1ccc(OCCCCNc2ncc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000737656435 598388688 /nfs/dbraw/zinc/38/86/88/598388688.db2.gz MNZJXZHJHUWHNQ-UHFFFAOYSA-N -1 3 362.796 3.325 20 0 FGADHM C[C@H](NC(=O)N[C@@H]1CCc2ccc(F)cc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000736112536 598390671 /nfs/dbraw/zinc/39/06/71/598390671.db2.gz JCTNDKKCLKWFFU-APPDUMDISA-N -1 3 366.400 3.054 20 0 FGADHM C[C@H](NC(=O)N[C@@H]1CCc2ccc(F)cc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000736112536 598390674 /nfs/dbraw/zinc/39/06/74/598390674.db2.gz JCTNDKKCLKWFFU-APPDUMDISA-N -1 3 366.400 3.054 20 0 FGADHM Cc1ccc2c(c1)[C@@H](NC(=O)N(C)Cc1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000737371758 598393010 /nfs/dbraw/zinc/39/30/10/598393010.db2.gz KWPFPSNQNFXYMK-SFHVURJKSA-N -1 3 362.437 3.004 20 0 FGADHM Cc1ccc2c(c1)[C@@H](NC(=O)N(C)Cc1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000737371758 598393011 /nfs/dbraw/zinc/39/30/11/598393011.db2.gz KWPFPSNQNFXYMK-SFHVURJKSA-N -1 3 362.437 3.004 20 0 FGADHM COc1cccc([C@H]2C[C@H]2C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)c1 ZINC000737131202 598396168 /nfs/dbraw/zinc/39/61/68/598396168.db2.gz WKISILPVBAVROL-ZIAGYGMSSA-N -1 3 369.812 3.271 20 0 FGADHM COc1cccc([C@H]2C[C@H]2C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)c1 ZINC000737131202 598396169 /nfs/dbraw/zinc/39/61/69/598396169.db2.gz WKISILPVBAVROL-ZIAGYGMSSA-N -1 3 369.812 3.271 20 0 FGADHM Cc1ccccc1C1CCN(C(=O)c2sccc2-c2nnn[n-]2)CC1 ZINC000737423312 598397634 /nfs/dbraw/zinc/39/76/34/598397634.db2.gz PFLNKKRNTMOANC-UHFFFAOYSA-N -1 3 353.451 3.256 20 0 FGADHM Cc1ccccc1C1CCN(C(=O)c2sccc2-c2nn[n-]n2)CC1 ZINC000737423312 598397636 /nfs/dbraw/zinc/39/76/36/598397636.db2.gz PFLNKKRNTMOANC-UHFFFAOYSA-N -1 3 353.451 3.256 20 0 FGADHM Cc1ccccc1C1CCN(C(=O)Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000737421513 598397900 /nfs/dbraw/zinc/39/79/00/598397900.db2.gz JWLOXCQRCAHJJT-UHFFFAOYSA-N -1 3 361.449 3.124 20 0 FGADHM Cc1ccccc1C1CCN(C(=O)Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737421513 598397901 /nfs/dbraw/zinc/39/79/01/598397901.db2.gz JWLOXCQRCAHJJT-UHFFFAOYSA-N -1 3 361.449 3.124 20 0 FGADHM COc1cccc([C@@H]2C[C@H]2C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000737131954 598414884 /nfs/dbraw/zinc/41/48/84/598414884.db2.gz ZFDKPPMTFBJPMZ-UYHISHBKSA-N -1 3 364.405 3.283 20 0 FGADHM COc1cccc([C@@H]2C[C@H]2C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737131954 598414886 /nfs/dbraw/zinc/41/48/86/598414886.db2.gz ZFDKPPMTFBJPMZ-UYHISHBKSA-N -1 3 364.405 3.283 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OCc1ncc(-c2ccc(F)cc2)o1 ZINC000737032401 598470331 /nfs/dbraw/zinc/47/03/31/598470331.db2.gz LXOOQIBXVQUNRP-UHFFFAOYSA-N -1 3 367.340 3.248 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OCc1ncc(-c2ccc(F)cc2)o1 ZINC000737032401 598470332 /nfs/dbraw/zinc/47/03/32/598470332.db2.gz LXOOQIBXVQUNRP-UHFFFAOYSA-N -1 3 367.340 3.248 20 0 FGADHM CCc1oc2ccccc2c1CN(C)C(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736712376 598471804 /nfs/dbraw/zinc/47/18/04/598471804.db2.gz FMOSQAYYYFHDSI-UHFFFAOYSA-N -1 3 361.405 3.448 20 0 FGADHM CCc1oc2ccccc2c1CN(C)C(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736712376 598471806 /nfs/dbraw/zinc/47/18/06/598471806.db2.gz FMOSQAYYYFHDSI-UHFFFAOYSA-N -1 3 361.405 3.448 20 0 FGADHM C[C@H]1CCC[C@@H](CNC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)C1 ZINC000736254303 598479582 /nfs/dbraw/zinc/47/95/82/598479582.db2.gz YNZBNRKASCTRHF-GOEBONIOSA-N -1 3 368.485 3.367 20 0 FGADHM C[C@H]1CCC[C@@H](CNC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)C1 ZINC000736254303 598479584 /nfs/dbraw/zinc/47/95/84/598479584.db2.gz YNZBNRKASCTRHF-GOEBONIOSA-N -1 3 368.485 3.367 20 0 FGADHM C[C@@H](OC(=O)Cc1cn(C)c2ccccc12)c1cccc(-c2nnn[n-]2)c1 ZINC000736155778 598482930 /nfs/dbraw/zinc/48/29/30/598482930.db2.gz QVJDJTSVKJMHCL-CYBMUJFWSA-N -1 3 361.405 3.205 20 0 FGADHM C[C@@H](OC(=O)Cc1cn(C)c2ccccc12)c1cccc(-c2nn[n-]n2)c1 ZINC000736155778 598482932 /nfs/dbraw/zinc/48/29/32/598482932.db2.gz QVJDJTSVKJMHCL-CYBMUJFWSA-N -1 3 361.405 3.205 20 0 FGADHM C[C@@H](Cc1cccc(F)c1)C(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000736059723 598484267 /nfs/dbraw/zinc/48/42/67/598484267.db2.gz WAKIGQWJXCCCDV-STQMWFEESA-N -1 3 354.385 3.489 20 0 FGADHM C[C@@H](Cc1cccc(F)c1)C(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000736059723 598484268 /nfs/dbraw/zinc/48/42/68/598484268.db2.gz WAKIGQWJXCCCDV-STQMWFEESA-N -1 3 354.385 3.489 20 0 FGADHM C[C@@H](Oc1cccc(F)c1)C(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000736182363 598486494 /nfs/dbraw/zinc/48/64/94/598486494.db2.gz NQZANQGUTQWRKB-NWDGAFQWSA-N -1 3 356.357 3.078 20 0 FGADHM C[C@@H](Oc1cccc(F)c1)C(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000736182363 598486496 /nfs/dbraw/zinc/48/64/96/598486496.db2.gz NQZANQGUTQWRKB-NWDGAFQWSA-N -1 3 356.357 3.078 20 0 FGADHM COc1cc(CC(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)ccc1C ZINC000737044257 598488191 /nfs/dbraw/zinc/48/81/91/598488191.db2.gz NCXDBXKLJWURHW-ZDUSSCGKSA-N -1 3 352.394 3.031 20 0 FGADHM COc1cc(CC(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)ccc1C ZINC000737044257 598488193 /nfs/dbraw/zinc/48/81/93/598488193.db2.gz NCXDBXKLJWURHW-ZDUSSCGKSA-N -1 3 352.394 3.031 20 0 FGADHM CC(C)CCSCC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000735820184 598489643 /nfs/dbraw/zinc/48/96/43/598489643.db2.gz PTRPQVAODDENLO-UHFFFAOYSA-N -1 3 350.492 3.141 20 0 FGADHM CC(C)CCSCC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000735820184 598489645 /nfs/dbraw/zinc/48/96/45/598489645.db2.gz PTRPQVAODDENLO-UHFFFAOYSA-N -1 3 350.492 3.141 20 0 FGADHM FC(F)(F)COc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000737628579 598508537 /nfs/dbraw/zinc/50/85/37/598508537.db2.gz XQHDCAIZMIMTTP-UHFFFAOYSA-N -1 3 350.300 3.387 20 0 FGADHM FC(F)(F)COc1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000737628579 598508538 /nfs/dbraw/zinc/50/85/38/598508538.db2.gz XQHDCAIZMIMTTP-UHFFFAOYSA-N -1 3 350.300 3.387 20 0 FGADHM CCc1c(C)sc(NC(=O)c2cc(C(C)(C)C)nn2C)c1-c1nnn[n-]1 ZINC000736676943 598516296 /nfs/dbraw/zinc/51/62/96/598516296.db2.gz WOSHBZILUQMJNH-UHFFFAOYSA-N -1 3 373.486 3.082 20 0 FGADHM CCc1c(C)sc(NC(=O)c2cc(C(C)(C)C)nn2C)c1-c1nn[n-]n1 ZINC000736676943 598516298 /nfs/dbraw/zinc/51/62/98/598516298.db2.gz WOSHBZILUQMJNH-UHFFFAOYSA-N -1 3 373.486 3.082 20 0 FGADHM CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000735798000 598519634 /nfs/dbraw/zinc/51/96/34/598519634.db2.gz UDTNGYGXDMDCHI-MPGHIAIKSA-N -1 3 371.485 3.355 20 0 FGADHM COc1ccccc1[C@H]1CCCN1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000737147118 598527815 /nfs/dbraw/zinc/52/78/15/598527815.db2.gz KFIQCFJZZCLSAH-MRXNPFEDSA-N -1 3 364.409 3.244 20 0 FGADHM COc1ccccc1[C@H]1CCCN1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000737147118 598527817 /nfs/dbraw/zinc/52/78/17/598527817.db2.gz KFIQCFJZZCLSAH-MRXNPFEDSA-N -1 3 364.409 3.244 20 0 FGADHM CCc1ccc([C@H](C)C(=O)OCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000736684999 598533065 /nfs/dbraw/zinc/53/30/65/598533065.db2.gz CRFSJCGIIBHFFW-LBPRGKRZSA-N -1 3 354.385 3.415 20 0 FGADHM CCc1ccc([C@H](C)C(=O)OCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000736684999 598533067 /nfs/dbraw/zinc/53/30/67/598533067.db2.gz CRFSJCGIIBHFFW-LBPRGKRZSA-N -1 3 354.385 3.415 20 0 FGADHM Cc1ccc(C[C@@H](C)NC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c(C)c1 ZINC000737334384 598543871 /nfs/dbraw/zinc/54/38/71/598543871.db2.gz GWMAJBBZAKFKNY-CYBMUJFWSA-N -1 3 368.416 3.375 20 0 FGADHM Cc1ccc(C[C@@H](C)NC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c(C)c1 ZINC000737334384 598543872 /nfs/dbraw/zinc/54/38/72/598543872.db2.gz GWMAJBBZAKFKNY-CYBMUJFWSA-N -1 3 368.416 3.375 20 0 FGADHM Cc1ccc(CCC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)cc1 ZINC000737338216 598545206 /nfs/dbraw/zinc/54/52/06/598545206.db2.gz PSWOFHAHALSDJU-UHFFFAOYSA-N -1 3 373.363 3.348 20 0 FGADHM Cc1ccc(CCC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)cc1 ZINC000737338216 598545208 /nfs/dbraw/zinc/54/52/08/598545208.db2.gz PSWOFHAHALSDJU-UHFFFAOYSA-N -1 3 373.363 3.348 20 0 FGADHM O=C(CCc1ccccc1)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000737858118 598547212 /nfs/dbraw/zinc/54/72/12/598547212.db2.gz XSNUVVHGHYRLEO-UHFFFAOYSA-N -1 3 359.336 3.039 20 0 FGADHM O=C(CCc1ccccc1)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000737858118 598547213 /nfs/dbraw/zinc/54/72/13/598547213.db2.gz XSNUVVHGHYRLEO-UHFFFAOYSA-N -1 3 359.336 3.039 20 0 FGADHM O=C(Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)c1cccnc1 ZINC000738172556 598555709 /nfs/dbraw/zinc/55/57/09/598555709.db2.gz NXDNXROKAKMHCS-UHFFFAOYSA-N -1 3 358.361 3.306 20 0 FGADHM O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)c1cccnc1 ZINC000738172556 598555710 /nfs/dbraw/zinc/55/57/10/598555710.db2.gz NXDNXROKAKMHCS-UHFFFAOYSA-N -1 3 358.361 3.306 20 0 FGADHM c1ccn2c(c1)nc(NCCOc1ccc3ccccc3c1)c2-c1nnn[n-]1 ZINC000738441595 598567154 /nfs/dbraw/zinc/56/71/54/598567154.db2.gz LMLMCXWZCNWIND-UHFFFAOYSA-N -1 3 371.404 3.159 20 0 FGADHM c1ccn2c(c1)nc(NCCOc1ccc3ccccc3c1)c2-c1nn[n-]n1 ZINC000738441595 598567155 /nfs/dbraw/zinc/56/71/55/598567155.db2.gz LMLMCXWZCNWIND-UHFFFAOYSA-N -1 3 371.404 3.159 20 0 FGADHM Cc1ccc(C)c(N(C(=O)COc2ccccc2-c2nnn[n-]2)C(C)C)c1 ZINC000737321649 598580118 /nfs/dbraw/zinc/58/01/18/598580118.db2.gz HULUMJJWSNVTPF-UHFFFAOYSA-N -1 3 365.437 3.304 20 0 FGADHM Cc1ccc(C)c(N(C(=O)COc2ccccc2-c2nn[n-]n2)C(C)C)c1 ZINC000737321649 598580120 /nfs/dbraw/zinc/58/01/20/598580120.db2.gz HULUMJJWSNVTPF-UHFFFAOYSA-N -1 3 365.437 3.304 20 0 FGADHM CC[C@@H](OC(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(OC)cc1 ZINC000736383008 598584550 /nfs/dbraw/zinc/58/45/50/598584550.db2.gz PERLUAGJMHDDLN-QGZVFWFLSA-N -1 3 352.394 3.112 20 0 FGADHM CC[C@@H](OC(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(OC)cc1 ZINC000736383008 598584552 /nfs/dbraw/zinc/58/45/52/598584552.db2.gz PERLUAGJMHDDLN-QGZVFWFLSA-N -1 3 352.394 3.112 20 0 FGADHM O=C(Cn1ccc2ccc(Cl)cc21)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737987090 598585491 /nfs/dbraw/zinc/58/54/91/598585491.db2.gz QQNAKYJBYIXXGF-UHFFFAOYSA-N -1 3 370.775 3.253 20 0 FGADHM O=C(Cn1ccc2ccc(Cl)cc21)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737987090 598585493 /nfs/dbraw/zinc/58/54/93/598585493.db2.gz QQNAKYJBYIXXGF-UHFFFAOYSA-N -1 3 370.775 3.253 20 0 FGADHM O=C(Cc1csc2ccccc12)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737978056 598586694 /nfs/dbraw/zinc/58/66/94/598586694.db2.gz PAUOCOOCFIBKOR-UHFFFAOYSA-N -1 3 353.382 3.402 20 0 FGADHM O=C(Cc1csc2ccccc12)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737978056 598586696 /nfs/dbraw/zinc/58/66/96/598586696.db2.gz PAUOCOOCFIBKOR-UHFFFAOYSA-N -1 3 353.382 3.402 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1cccn1Cc1ccccc1 ZINC000738165283 598601332 /nfs/dbraw/zinc/60/13/32/598601332.db2.gz IRBCDNYCYOODPW-UHFFFAOYSA-N -1 3 362.368 3.108 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1cccn1Cc1ccccc1 ZINC000738165283 598601333 /nfs/dbraw/zinc/60/13/33/598601333.db2.gz IRBCDNYCYOODPW-UHFFFAOYSA-N -1 3 362.368 3.108 20 0 FGADHM Cc1ccc(-c2noc(CCc3ccc(-c4nn[n-]n4)cc3)n2)cc1F ZINC000737303743 598608360 /nfs/dbraw/zinc/60/83/60/598608360.db2.gz OSPYHOWZNXQKTD-UHFFFAOYSA-N -1 3 350.357 3.149 20 0 FGADHM O=C(N[C@H]1CCCC[C@@H]1Cc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738027076 598609904 /nfs/dbraw/zinc/60/99/04/598609904.db2.gz XJGQUMNDQWAXDW-MOPGFXCFSA-N -1 3 361.449 3.398 20 0 FGADHM O=C(N[C@H]1CCCC[C@@H]1Cc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738027076 598609906 /nfs/dbraw/zinc/60/99/06/598609906.db2.gz XJGQUMNDQWAXDW-MOPGFXCFSA-N -1 3 361.449 3.398 20 0 FGADHM CC[C@@H](NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1OC ZINC000736364339 598624467 /nfs/dbraw/zinc/62/44/67/598624467.db2.gz RCAGZBPJAOJBNU-OAHLLOKOSA-N -1 3 370.388 3.287 20 0 FGADHM CC[C@@H](NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1OC ZINC000736364339 598624469 /nfs/dbraw/zinc/62/44/69/598624469.db2.gz RCAGZBPJAOJBNU-OAHLLOKOSA-N -1 3 370.388 3.287 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N1CC[C@H](c2ccccc2)C1 ZINC000738164009 598630247 /nfs/dbraw/zinc/63/02/47/598630247.db2.gz WGSBXEIYIZKXHW-ZDUSSCGKSA-N -1 3 352.373 3.027 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N1CC[C@H](c2ccccc2)C1 ZINC000738164009 598630249 /nfs/dbraw/zinc/63/02/49/598630249.db2.gz WGSBXEIYIZKXHW-ZDUSSCGKSA-N -1 3 352.373 3.027 20 0 FGADHM COc1ccc(OCCN(C)c2cc(Cl)ccc2-c2nnn[n-]2)cc1 ZINC000737110424 598630863 /nfs/dbraw/zinc/63/08/63/598630863.db2.gz YGSMZYOYESXYHS-UHFFFAOYSA-N -1 3 359.817 3.044 20 0 FGADHM COc1ccc(OCCN(C)c2cc(Cl)ccc2-c2nn[n-]n2)cc1 ZINC000737110424 598630864 /nfs/dbraw/zinc/63/08/64/598630864.db2.gz YGSMZYOYESXYHS-UHFFFAOYSA-N -1 3 359.817 3.044 20 0 FGADHM Clc1ccc2nc(CNc3c(Cl)cccc3-c3nnn[n-]3)cn2c1 ZINC000737573366 598632301 /nfs/dbraw/zinc/63/23/01/598632301.db2.gz KNQXKQASTKXZEC-UHFFFAOYSA-N -1 3 360.208 3.433 20 0 FGADHM Clc1ccc2nc(CNc3c(Cl)cccc3-c3nn[n-]n3)cn2c1 ZINC000737573366 598632303 /nfs/dbraw/zinc/63/23/03/598632303.db2.gz KNQXKQASTKXZEC-UHFFFAOYSA-N -1 3 360.208 3.433 20 0 FGADHM Clc1ccc(-c2nnn[n-]2)c(NCc2cn3cc(Cl)ccc3n2)c1 ZINC000737570073 598632439 /nfs/dbraw/zinc/63/24/39/598632439.db2.gz AJBPXQPVYKWWPT-UHFFFAOYSA-N -1 3 360.208 3.433 20 0 FGADHM Clc1ccc(-c2nn[n-]n2)c(NCc2cn3cc(Cl)ccc3n2)c1 ZINC000737570073 598632441 /nfs/dbraw/zinc/63/24/41/598632441.db2.gz AJBPXQPVYKWWPT-UHFFFAOYSA-N -1 3 360.208 3.433 20 0 FGADHM Fc1ccc([C@@H]2CN(c3cc(Cl)ccc3-c3nnn[n-]3)CCO2)cc1 ZINC000737647461 598633695 /nfs/dbraw/zinc/63/36/95/598633695.db2.gz DQUCMLRMQBECBL-INIZCTEOSA-N -1 3 359.792 3.237 20 0 FGADHM Fc1ccc([C@@H]2CN(c3cc(Cl)ccc3-c3nn[n-]n3)CCO2)cc1 ZINC000737647461 598633696 /nfs/dbraw/zinc/63/36/96/598633696.db2.gz DQUCMLRMQBECBL-INIZCTEOSA-N -1 3 359.792 3.237 20 0 FGADHM CC[C@@H](NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(OC)cc1 ZINC000736365607 598633940 /nfs/dbraw/zinc/63/39/40/598633940.db2.gz XNQKXXRRKHCRHS-MRXNPFEDSA-N -1 3 370.388 3.287 20 0 FGADHM CC[C@@H](NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(OC)cc1 ZINC000736365607 598633941 /nfs/dbraw/zinc/63/39/41/598633941.db2.gz XNQKXXRRKHCRHS-MRXNPFEDSA-N -1 3 370.388 3.287 20 0 FGADHM Fc1ccc(CSc2ccc(Br)cn2)c(-c2nnn[n-]2)c1 ZINC000737648898 598646241 /nfs/dbraw/zinc/64/62/41/598646241.db2.gz KPMCBAAKVIOAES-UHFFFAOYSA-N -1 3 366.219 3.456 20 0 FGADHM Fc1ccc(CSc2ccc(Br)cn2)c(-c2nn[n-]n2)c1 ZINC000737648898 598646243 /nfs/dbraw/zinc/64/62/43/598646243.db2.gz KPMCBAAKVIOAES-UHFFFAOYSA-N -1 3 366.219 3.456 20 0 FGADHM CC1CCC(N(C)C(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736238084 598647907 /nfs/dbraw/zinc/64/79/07/598647907.db2.gz AQUZQODWNVQQJC-UHFFFAOYSA-N -1 3 371.485 3.453 20 0 FGADHM CC1CCC(N(C)C(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736238084 598647908 /nfs/dbraw/zinc/64/79/08/598647908.db2.gz AQUZQODWNVQQJC-UHFFFAOYSA-N -1 3 371.485 3.453 20 0 FGADHM CCN(C(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1ccccc1OC ZINC000736504442 598652041 /nfs/dbraw/zinc/65/20/41/598652041.db2.gz DALULIHIHHUIRV-UHFFFAOYSA-N -1 3 369.450 3.021 20 0 FGADHM CCN(C(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1ccccc1OC ZINC000736504442 598652042 /nfs/dbraw/zinc/65/20/42/598652042.db2.gz DALULIHIHHUIRV-UHFFFAOYSA-N -1 3 369.450 3.021 20 0 FGADHM Cc1cc(C)cc(N(C)C(=O)CSc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737250543 598655607 /nfs/dbraw/zinc/65/56/07/598655607.db2.gz NPWWJKJHXIRGFT-UHFFFAOYSA-N -1 3 353.451 3.239 20 0 FGADHM Cc1cc(C)cc(N(C)C(=O)CSc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737250543 598655609 /nfs/dbraw/zinc/65/56/09/598655609.db2.gz NPWWJKJHXIRGFT-UHFFFAOYSA-N -1 3 353.451 3.239 20 0 FGADHM CC(C)(C)c1ccc(CCC(=O)Nc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000735648260 598663905 /nfs/dbraw/zinc/66/39/05/598663905.db2.gz BORSJESCWROOQM-UHFFFAOYSA-N -1 3 350.426 3.131 20 0 FGADHM CC(C)(C)c1ccc(CCC(=O)Nc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000735648260 598663906 /nfs/dbraw/zinc/66/39/06/598663906.db2.gz BORSJESCWROOQM-UHFFFAOYSA-N -1 3 350.426 3.131 20 0 FGADHM C[C@@H](Sc1ccccc1Cl)C(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000736190449 598663978 /nfs/dbraw/zinc/66/39/78/598663978.db2.gz FIPHAXHBZAKDQQ-SECBINFHSA-N -1 3 360.830 3.034 20 0 FGADHM C[C@@H](Sc1ccccc1Cl)C(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000736190449 598663980 /nfs/dbraw/zinc/66/39/80/598663980.db2.gz FIPHAXHBZAKDQQ-SECBINFHSA-N -1 3 360.830 3.034 20 0 FGADHM CC(C)(C)C[C@@H]1CCCN1C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000735603572 598667451 /nfs/dbraw/zinc/66/74/51/598667451.db2.gz LYUJLTNYJPEUGH-AWEZNQCLSA-N -1 3 359.499 3.386 20 0 FGADHM CC(C)(C)C[C@@H]1CCCN1C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000735603572 598667454 /nfs/dbraw/zinc/66/74/54/598667454.db2.gz LYUJLTNYJPEUGH-AWEZNQCLSA-N -1 3 359.499 3.386 20 0 FGADHM Fc1ccccc1[C@H]1CN(c2ccc(-c3nnn[n-]3)c(Cl)c2)CCO1 ZINC000737668446 598671616 /nfs/dbraw/zinc/67/16/16/598671616.db2.gz GCZHZPNJCRAQBF-MRXNPFEDSA-N -1 3 359.792 3.237 20 0 FGADHM Fc1ccccc1[C@H]1CN(c2ccc(-c3nn[n-]n3)c(Cl)c2)CCO1 ZINC000737668446 598671618 /nfs/dbraw/zinc/67/16/18/598671618.db2.gz GCZHZPNJCRAQBF-MRXNPFEDSA-N -1 3 359.792 3.237 20 0 FGADHM Fc1ccc(CSCCOCCOc2ccccc2)c(-c2nnn[n-]2)c1 ZINC000737648299 598696540 /nfs/dbraw/zinc/69/65/40/598696540.db2.gz ILWAQRWEABHTQM-UHFFFAOYSA-N -1 3 374.441 3.335 20 0 FGADHM Fc1ccc(CSCCOCCOc2ccccc2)c(-c2nn[n-]n2)c1 ZINC000737648299 598696542 /nfs/dbraw/zinc/69/65/42/598696542.db2.gz ILWAQRWEABHTQM-UHFFFAOYSA-N -1 3 374.441 3.335 20 0 FGADHM CC[C@@H]1c2ccsc2CCN1C(=O)C=Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736413212 598709349 /nfs/dbraw/zinc/70/93/49/598709349.db2.gz WEALAAMWJNTDHO-CDVVCGDMSA-N -1 3 365.462 3.477 20 0 FGADHM CC[C@@H]1c2ccsc2CCN1C(=O)C=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736413212 598709351 /nfs/dbraw/zinc/70/93/51/598709351.db2.gz WEALAAMWJNTDHO-CDVVCGDMSA-N -1 3 365.462 3.477 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NCC(C)(C)c1ccc(F)cc1 ZINC000737293665 598717289 /nfs/dbraw/zinc/71/72/89/598717289.db2.gz HMMMMJRYRCDRTC-UHFFFAOYSA-N -1 3 368.416 3.414 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NCC(C)(C)c1ccc(F)cc1 ZINC000737293665 598717291 /nfs/dbraw/zinc/71/72/91/598717291.db2.gz HMMMMJRYRCDRTC-UHFFFAOYSA-N -1 3 368.416 3.414 20 0 FGADHM C[C@H](CSc1ccccc1)C(=O)OCc1cccc(-c2nnn[n-]2)c1 ZINC000736046273 598724773 /nfs/dbraw/zinc/72/47/73/598724773.db2.gz HRZCMLUYIDEXBR-CYBMUJFWSA-N -1 3 354.435 3.338 20 0 FGADHM C[C@H](CSc1ccccc1)C(=O)OCc1cccc(-c2nn[n-]n2)c1 ZINC000736046273 598724774 /nfs/dbraw/zinc/72/47/74/598724774.db2.gz HRZCMLUYIDEXBR-CYBMUJFWSA-N -1 3 354.435 3.338 20 0 FGADHM COc1ccc([C@@H](C)OC(=O)Cc2ccc(-c3nnn[n-]3)cc2)cc1Cl ZINC000737073427 598729263 /nfs/dbraw/zinc/72/92/63/598729263.db2.gz CLEKJOWCAGKIPO-LLVKDONJSA-N -1 3 372.812 3.376 20 0 FGADHM COc1ccc([C@@H](C)OC(=O)Cc2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC000737073427 598729265 /nfs/dbraw/zinc/72/92/65/598729265.db2.gz CLEKJOWCAGKIPO-LLVKDONJSA-N -1 3 372.812 3.376 20 0 FGADHM O=C(COc1ccccc1-c1nnn[n-]1)O[C@H]1CCc2c1cccc2Cl ZINC000737929840 598740676 /nfs/dbraw/zinc/74/06/76/598740676.db2.gz JBPGGOVTADBKSE-INIZCTEOSA-N -1 3 370.796 3.130 20 0 FGADHM O=C(COc1ccccc1-c1nn[n-]n1)O[C@H]1CCc2c1cccc2Cl ZINC000737929840 598740677 /nfs/dbraw/zinc/74/06/77/598740677.db2.gz JBPGGOVTADBKSE-INIZCTEOSA-N -1 3 370.796 3.130 20 0 FGADHM C[C@H](NC(=O)c1ncoc1-c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736123791 598741544 /nfs/dbraw/zinc/74/15/44/598741544.db2.gz DGLTXPJEXGRIAZ-LBPRGKRZSA-N -1 3 360.377 3.013 20 0 FGADHM C[C@H](NC(=O)c1ncoc1-c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736123791 598741546 /nfs/dbraw/zinc/74/15/46/598741546.db2.gz DGLTXPJEXGRIAZ-LBPRGKRZSA-N -1 3 360.377 3.013 20 0 FGADHM O=C(C[C@H]1CCc2ccccc2C1)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737821019 598750924 /nfs/dbraw/zinc/75/09/24/598750924.db2.gz ULTKVLFXHDVRND-ZDUSSCGKSA-N -1 3 366.396 3.244 20 0 FGADHM O=C(C[C@H]1CCc2ccccc2C1)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737821019 598750925 /nfs/dbraw/zinc/75/09/25/598750925.db2.gz ULTKVLFXHDVRND-ZDUSSCGKSA-N -1 3 366.396 3.244 20 0 FGADHM Cc1cccc(CNc2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)n1 ZINC000737394725 598771894 /nfs/dbraw/zinc/77/18/94/598771894.db2.gz UTENRAQRBGIBOM-UHFFFAOYSA-N -1 3 353.336 3.009 20 0 FGADHM Cc1cccc(CNc2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)n1 ZINC000737394725 598771895 /nfs/dbraw/zinc/77/18/95/598771895.db2.gz UTENRAQRBGIBOM-UHFFFAOYSA-N -1 3 353.336 3.009 20 0 FGADHM CSc1ccc(N(C)C(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000737190082 598791627 /nfs/dbraw/zinc/79/16/27/598791627.db2.gz LFUIPZRPCTYOLX-GHXNOFRVSA-N -1 3 351.435 3.265 20 0 FGADHM CSc1ccc(N(C)C(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000737190082 598791628 /nfs/dbraw/zinc/79/16/28/598791628.db2.gz LFUIPZRPCTYOLX-GHXNOFRVSA-N -1 3 351.435 3.265 20 0 FGADHM Clc1ccc(NCc2cnn(Cc3ccccc3)c2)c(-c2nnn[n-]2)c1 ZINC000737574106 598793519 /nfs/dbraw/zinc/79/35/19/598793519.db2.gz LBPADCARKMZGIL-UHFFFAOYSA-N -1 3 365.828 3.377 20 0 FGADHM Clc1ccc(NCc2cnn(Cc3ccccc3)c2)c(-c2nn[n-]n2)c1 ZINC000737574106 598793520 /nfs/dbraw/zinc/79/35/20/598793520.db2.gz LBPADCARKMZGIL-UHFFFAOYSA-N -1 3 365.828 3.377 20 0 FGADHM O=C(NC1CC1)c1cccc(CNc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000738018458 598793892 /nfs/dbraw/zinc/79/38/92/598793892.db2.gz BDUVWIASPDNNFY-UHFFFAOYSA-N -1 3 368.828 3.024 20 0 FGADHM O=C(NC1CC1)c1cccc(CNc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000738018458 598793894 /nfs/dbraw/zinc/79/38/94/598793894.db2.gz BDUVWIASPDNNFY-UHFFFAOYSA-N -1 3 368.828 3.024 20 0 FGADHM CC(C)[C@@H](C)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000735703125 598803825 /nfs/dbraw/zinc/80/38/25/598803825.db2.gz RPIRSHXPXMBSEO-GFCCVEGCSA-N -1 3 352.398 3.285 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cn1)C(c1ccccc1)c1ccccc1 ZINC000738150212 598806644 /nfs/dbraw/zinc/80/66/44/598806644.db2.gz BWQFFHHRRIXFAM-UHFFFAOYSA-N -1 3 356.389 3.032 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cn1)C(c1ccccc1)c1ccccc1 ZINC000738150212 598806645 /nfs/dbraw/zinc/80/66/45/598806645.db2.gz BWQFFHHRRIXFAM-UHFFFAOYSA-N -1 3 356.389 3.032 20 0 FGADHM C[C@H](CC(=O)Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1)CC(C)(C)C ZINC000735975811 598807523 /nfs/dbraw/zinc/80/75/23/598807523.db2.gz JJDYGMPFWDAHHO-CYBMUJFWSA-N -1 3 367.457 3.453 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N1CCCC[C@H]1c1nccs1 ZINC000737796476 598807835 /nfs/dbraw/zinc/80/78/35/598807835.db2.gz HAKDUHGKWNRFON-HVHJFMEUSA-N -1 3 366.450 3.090 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N1CCCC[C@H]1c1nccs1 ZINC000737796476 598807837 /nfs/dbraw/zinc/80/78/37/598807837.db2.gz HAKDUHGKWNRFON-HVHJFMEUSA-N -1 3 366.450 3.090 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[C@@H]1CSc2ccccc21 ZINC000738146735 599293271 /nfs/dbraw/zinc/29/32/71/599293271.db2.gz ZRQYPJFOVXOENH-GFCCVEGCSA-N -1 3 357.826 3.348 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)[C@@H]1CSc2ccccc21 ZINC000738146735 599293273 /nfs/dbraw/zinc/29/32/73/599293273.db2.gz ZRQYPJFOVXOENH-GFCCVEGCSA-N -1 3 357.826 3.348 20 0 FGADHM CCc1csc(NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)n1 ZINC000821499526 599297126 /nfs/dbraw/zinc/29/71/26/599297126.db2.gz MBPDMIQMFPNZIT-UHFFFAOYSA-N -1 3 369.454 3.082 20 0 FGADHM CCc1csc(NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)n1 ZINC000821499526 599297128 /nfs/dbraw/zinc/29/71/28/599297128.db2.gz MBPDMIQMFPNZIT-UHFFFAOYSA-N -1 3 369.454 3.082 20 0 FGADHM C[C@H]1SCCN(C(=O)c2ccc(-c3nnn[n-]3)cc2)[C@@H]1c1ccccc1 ZINC000736303902 599303179 /nfs/dbraw/zinc/30/31/79/599303179.db2.gz UHENRHGTKOKQDM-DYVFJYSZSA-N -1 3 365.462 3.186 20 0 FGADHM C[C@H]1SCCN(C(=O)c2ccc(-c3nn[n-]n3)cc2)[C@@H]1c1ccccc1 ZINC000736303902 599303181 /nfs/dbraw/zinc/30/31/81/599303181.db2.gz UHENRHGTKOKQDM-DYVFJYSZSA-N -1 3 365.462 3.186 20 0 FGADHM C[C@@H]1SCCN(C(=O)c2sccc2-c2nnn[n-]2)[C@H]1c1ccccc1 ZINC000736304430 599303265 /nfs/dbraw/zinc/30/32/65/599303265.db2.gz VXMYNSKEZYNPAD-SMDDNHRTSA-N -1 3 371.491 3.247 20 0 FGADHM O[C@H](CNc1ccc(-c2nn[n-]n2)cc1)c1cc(Cl)cc(Cl)c1 ZINC000738384577 599306459 /nfs/dbraw/zinc/30/64/59/599306459.db2.gz TYVLJSYLMJYKMX-CQSZACIVSA-N -1 3 350.209 3.319 20 0 FGADHM CCN(C(=O)c1cccc(Br)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736509015 599310336 /nfs/dbraw/zinc/31/03/36/599310336.db2.gz QJKFLLLCRPARIF-UHFFFAOYSA-N -1 3 372.226 3.296 20 0 FGADHM C[C@H]1CN(Cn2ccc(-c3ccc(-c4nnn[n-]4)cc3)n2)[C@H]1c1ccccc1 ZINC000820769020 599329269 /nfs/dbraw/zinc/32/92/69/599329269.db2.gz QLWJSIJIORIQDR-MGPUTAFESA-N -1 3 371.448 3.381 20 0 FGADHM C[C@H]1CN(Cn2ccc(-c3ccc(-c4nn[n-]n4)cc3)n2)[C@H]1c1ccccc1 ZINC000820769020 599329273 /nfs/dbraw/zinc/32/92/73/599329273.db2.gz QLWJSIJIORIQDR-MGPUTAFESA-N -1 3 371.448 3.381 20 0 FGADHM C[C@H](S[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)C(=O)NC1CCCCC1 ZINC000736188569 599330449 /nfs/dbraw/zinc/33/04/49/599330449.db2.gz LDDOLUSJGMUEHR-STQMWFEESA-N -1 3 359.499 3.498 20 0 FGADHM C[C@H](S[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)C(=O)NC1CCCCC1 ZINC000736188569 599330451 /nfs/dbraw/zinc/33/04/51/599330451.db2.gz LDDOLUSJGMUEHR-STQMWFEESA-N -1 3 359.499 3.498 20 0 FGADHM Cc1ccc(NCCOc2cccc(-c3nnn[n-]3)c2)cc1OC(F)F ZINC000737361559 599330709 /nfs/dbraw/zinc/33/07/09/599330709.db2.gz JFOJFGFEDOFKBQ-UHFFFAOYSA-N -1 3 361.352 3.267 20 0 FGADHM Cc1ccc(NCCOc2cccc(-c3nn[n-]n3)c2)cc1OC(F)F ZINC000737361559 599330713 /nfs/dbraw/zinc/33/07/13/599330713.db2.gz JFOJFGFEDOFKBQ-UHFFFAOYSA-N -1 3 361.352 3.267 20 0 FGADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1OC1CCC1 ZINC000738232046 599337021 /nfs/dbraw/zinc/33/70/21/599337021.db2.gz NZBPFATZGYGXHD-UHFFFAOYSA-N -1 3 350.378 3.155 20 0 FGADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1OC1CCC1 ZINC000738232046 599337023 /nfs/dbraw/zinc/33/70/23/599337023.db2.gz NZBPFATZGYGXHD-UHFFFAOYSA-N -1 3 350.378 3.155 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1CSCc1cccc2nsnc21 ZINC000821752346 607370184 /nfs/dbraw/zinc/37/01/84/607370184.db2.gz LGDKMGIQVGYNBR-UHFFFAOYSA-N -1 3 370.463 3.313 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1CSCc1cccc2nsnc21 ZINC000821752346 607370186 /nfs/dbraw/zinc/37/01/86/607370186.db2.gz LGDKMGIQVGYNBR-UHFFFAOYSA-N -1 3 370.463 3.313 20 0 FGADHM O=C(CSc1ccccc1-c1nnn[n-]1)NC12CC3CC(CC(C3)C1)C2 ZINC000823070607 599345501 /nfs/dbraw/zinc/34/55/01/599345501.db2.gz GYGHBGJCOVPDJL-UHFFFAOYSA-N -1 3 369.494 3.044 20 0 FGADHM O=C(CSc1ccccc1-c1nn[n-]n1)NC12CC3CC(CC(C3)C1)C2 ZINC000823070607 599345503 /nfs/dbraw/zinc/34/55/03/599345503.db2.gz GYGHBGJCOVPDJL-UHFFFAOYSA-N -1 3 369.494 3.044 20 0 FGADHM Cc1ccccc1CN(C)C(=O)[C@@H](C)Sc1ccccc1-c1nnn[n-]1 ZINC000822356812 599348059 /nfs/dbraw/zinc/34/80/59/599348059.db2.gz ZNBSOZQCEYDHFL-CQSZACIVSA-N -1 3 367.478 3.314 20 0 FGADHM Cc1ccccc1CN(C)C(=O)[C@@H](C)Sc1ccccc1-c1nn[n-]n1 ZINC000822356812 599348060 /nfs/dbraw/zinc/34/80/60/599348060.db2.gz ZNBSOZQCEYDHFL-CQSZACIVSA-N -1 3 367.478 3.314 20 0 FGADHM Cc1ccc(N2CCC[C@H](Sc3ccccc3-c3nnn[n-]3)C2=O)cc1 ZINC000822242607 599350394 /nfs/dbraw/zinc/35/03/94/599350394.db2.gz QYMVHTNIRLSPQU-KRWDZBQOSA-N -1 3 365.462 3.463 20 0 FGADHM Cc1ccc(N2CCC[C@H](Sc3ccccc3-c3nn[n-]n3)C2=O)cc1 ZINC000822242607 599350396 /nfs/dbraw/zinc/35/03/96/599350396.db2.gz QYMVHTNIRLSPQU-KRWDZBQOSA-N -1 3 365.462 3.463 20 0 FGADHM Cc1ncc(CN(C)c2ccc(Br)cc2-c2nnn[n-]2)s1 ZINC000737492451 599363959 /nfs/dbraw/zinc/36/39/59/599363959.db2.gz SLXQEJQTNGERDK-UHFFFAOYSA-N -1 3 365.260 3.031 20 0 FGADHM Cc1ncc(CN(C)c2ccc(Br)cc2-c2nn[n-]n2)s1 ZINC000737492451 599363961 /nfs/dbraw/zinc/36/39/61/599363961.db2.gz SLXQEJQTNGERDK-UHFFFAOYSA-N -1 3 365.260 3.031 20 0 FGADHM O=C(Nc1nc(-c2ccc(O)cc2)cs1)c1sccc1-c1nnn[n-]1 ZINC000823376208 599365949 /nfs/dbraw/zinc/36/59/49/599365949.db2.gz ZMECIWYHARYIQC-UHFFFAOYSA-N -1 3 370.419 3.010 20 0 FGADHM O=C(Nc1nc(-c2ccc(O)cc2)cs1)c1sccc1-c1nn[n-]n1 ZINC000823376208 599365951 /nfs/dbraw/zinc/36/59/51/599365951.db2.gz ZMECIWYHARYIQC-UHFFFAOYSA-N -1 3 370.419 3.010 20 0 FGADHM C[C@H](CC(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@H](C)C2)n1cccc1 ZINC000736280910 599368888 /nfs/dbraw/zinc/36/88/88/599368888.db2.gz RGLFBGPZRKMJPK-NWDGAFQWSA-N -1 3 370.482 3.444 20 0 FGADHM C[C@H](CC(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@H](C)C2)n1cccc1 ZINC000736280910 599368890 /nfs/dbraw/zinc/36/88/90/599368890.db2.gz RGLFBGPZRKMJPK-NWDGAFQWSA-N -1 3 370.482 3.444 20 0 FGADHM CSCC[C@H](C)N(C)C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737175775 599369951 /nfs/dbraw/zinc/36/99/51/599369951.db2.gz HHDHYFVKSIPIFW-VIFPVBQESA-N -1 3 370.935 3.290 20 0 FGADHM CSCC[C@H](C)N(C)C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737175775 599369952 /nfs/dbraw/zinc/36/99/52/599369952.db2.gz HHDHYFVKSIPIFW-VIFPVBQESA-N -1 3 370.935 3.290 20 0 FGADHM C[C@H](Nc1ccc(N2CCOCC2)c(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820455995 599373146 /nfs/dbraw/zinc/37/31/46/599373146.db2.gz OZACBRPASUYVCP-ZDUSSCGKSA-N -1 3 368.416 3.016 20 0 FGADHM C[C@H](Nc1ccc(N2CCOCC2)c(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820455995 599373149 /nfs/dbraw/zinc/37/31/49/599373149.db2.gz OZACBRPASUYVCP-ZDUSSCGKSA-N -1 3 368.416 3.016 20 0 FGADHM CSC[C@@H](C)NC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737175854 599380475 /nfs/dbraw/zinc/38/04/75/599380475.db2.gz IMBNZLZUJBCRRM-GFCCVEGCSA-N -1 3 369.450 3.140 20 0 FGADHM CSC[C@@H](C)NC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737175854 599380477 /nfs/dbraw/zinc/38/04/77/599380477.db2.gz IMBNZLZUJBCRRM-GFCCVEGCSA-N -1 3 369.450 3.140 20 0 FGADHM FC(F)(F)Oc1ccc(OCCOc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822718459 599389321 /nfs/dbraw/zinc/38/93/21/599389321.db2.gz IWBJBZLRNHYJDH-UHFFFAOYSA-N -1 3 366.299 3.223 20 0 FGADHM CN(CCOc1ccc(F)cc1)c1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000736802034 599399726 /nfs/dbraw/zinc/39/97/26/599399726.db2.gz OJPOTONDVJMOQW-UHFFFAOYSA-N -1 3 364.384 3.069 20 0 FGADHM CN(CCOc1ccc(F)cc1)c1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000736802034 599399729 /nfs/dbraw/zinc/39/97/29/599399729.db2.gz OJPOTONDVJMOQW-UHFFFAOYSA-N -1 3 364.384 3.069 20 0 FGADHM CC[C@H](CC1CCCC1)C(=O)OCC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825113798 607373664 /nfs/dbraw/zinc/37/36/64/607373664.db2.gz GHSPIXKMZMGCGY-CQSZACIVSA-N -1 3 356.426 3.199 20 0 FGADHM CC[C@H](CC1CCCC1)C(=O)OCC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825113798 607373666 /nfs/dbraw/zinc/37/36/66/607373666.db2.gz GHSPIXKMZMGCGY-CQSZACIVSA-N -1 3 356.426 3.199 20 0 FGADHM Cc1ccc([C@H](C)NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822229038 599412752 /nfs/dbraw/zinc/41/27/52/599412752.db2.gz KWITXYMUAPLALZ-KBPBESRZSA-N -1 3 350.426 3.297 20 0 FGADHM Cc1ccc([C@H](C)NC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822229038 599412755 /nfs/dbraw/zinc/41/27/55/599412755.db2.gz KWITXYMUAPLALZ-KBPBESRZSA-N -1 3 350.426 3.297 20 0 FGADHM C[C@@H](NCc1ccc(-c2nnn[n-]2)o1)c1ccc(OCC(F)(F)F)cc1 ZINC000820431086 599413816 /nfs/dbraw/zinc/41/38/16/599413816.db2.gz AGTKAYJHFRBLEQ-SNVBAGLBSA-N -1 3 367.331 3.252 20 0 FGADHM COc1ccc(CCNc2cc(-c3nnn[n-]3)c3ccccc3n2)cc1F ZINC000737090449 599427221 /nfs/dbraw/zinc/42/72/21/599427221.db2.gz OOKCDKVCDLSCRV-UHFFFAOYSA-N -1 3 364.384 3.217 20 0 FGADHM COc1ccc(CCNc2cc(-c3nn[n-]n3)c3ccccc3n2)cc1F ZINC000737090449 599427223 /nfs/dbraw/zinc/42/72/23/599427223.db2.gz OOKCDKVCDLSCRV-UHFFFAOYSA-N -1 3 364.384 3.217 20 0 FGADHM C[C@H](NC(=O)NCC[C@H]1CCCC[C@H]1C)c1cccc(-c2nnn[n-]2)c1 ZINC000820366327 599442158 /nfs/dbraw/zinc/44/21/58/599442158.db2.gz NBKGOHBFRAMURT-QLFBSQMISA-N -1 3 356.474 3.443 20 0 FGADHM C[C@H](NC(=O)NCC[C@H]1CCCC[C@H]1C)c1cccc(-c2nn[n-]n2)c1 ZINC000820366327 599442163 /nfs/dbraw/zinc/44/21/63/599442163.db2.gz NBKGOHBFRAMURT-QLFBSQMISA-N -1 3 356.474 3.443 20 0 FGADHM C[C@@H](NC(=O)NC[C@@H](C)Cc1cccs1)c1cccc(-c2nnn[n-]2)c1 ZINC000820261758 599447224 /nfs/dbraw/zinc/44/72/24/599447224.db2.gz PRBYWDBUUWYONT-QWHCGFSZSA-N -1 3 370.482 3.167 20 0 FGADHM C[C@@H](NC(=O)NC[C@@H](C)Cc1cccs1)c1cccc(-c2nn[n-]n2)c1 ZINC000820261758 599447226 /nfs/dbraw/zinc/44/72/26/599447226.db2.gz PRBYWDBUUWYONT-QWHCGFSZSA-N -1 3 370.482 3.167 20 0 FGADHM Clc1ccc2oc(C=Cc3cnc4ccc(-c5nnn[n-]5)cn34)nc2c1 ZINC000737573932 599460773 /nfs/dbraw/zinc/46/07/73/599460773.db2.gz HJRDQCBBUMMYSZ-ZZXKWVIFSA-N -1 3 363.768 3.479 20 0 FGADHM Clc1ccc2oc(C=Cc3cnc4ccc(-c5nn[n-]n5)cn34)nc2c1 ZINC000737573932 599460776 /nfs/dbraw/zinc/46/07/76/599460776.db2.gz HJRDQCBBUMMYSZ-ZZXKWVIFSA-N -1 3 363.768 3.479 20 0 FGADHM S=C(Nc1ccccc1-c1nnn[n-]1)N[C@@H](Cc1ccccc1)C1CC1 ZINC000738406127 599464822 /nfs/dbraw/zinc/46/48/22/599464822.db2.gz BBTBCUYKIIOTMU-KRWDZBQOSA-N -1 3 364.478 3.174 20 0 FGADHM S=C(Nc1ccccc1-c1nn[n-]n1)N[C@@H](Cc1ccccc1)C1CC1 ZINC000738406127 599464824 /nfs/dbraw/zinc/46/48/24/599464824.db2.gz BBTBCUYKIIOTMU-KRWDZBQOSA-N -1 3 364.478 3.174 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N[C@@H](Cc1ccccc1)C1CC1 ZINC000737795606 599468528 /nfs/dbraw/zinc/46/85/28/599468528.db2.gz BBGOVEDOMOKJIC-HSNDNRACSA-N -1 3 359.433 3.017 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N[C@@H](Cc1ccccc1)C1CC1 ZINC000737795606 599468529 /nfs/dbraw/zinc/46/85/29/599468529.db2.gz BBGOVEDOMOKJIC-HSNDNRACSA-N -1 3 359.433 3.017 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N[C@H](Cc1ccccc1)C1CC1 ZINC000737795612 599468603 /nfs/dbraw/zinc/46/86/03/599468603.db2.gz BBGOVEDOMOKJIC-SYGIOELKSA-N -1 3 359.433 3.017 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N[C@H](Cc1ccccc1)C1CC1 ZINC000737795612 599468604 /nfs/dbraw/zinc/46/86/04/599468604.db2.gz BBGOVEDOMOKJIC-SYGIOELKSA-N -1 3 359.433 3.017 20 0 FGADHM Fc1ccc(NCc2ccc(Br)s2)c(-c2nnn[n-]2)c1 ZINC000822782845 599472689 /nfs/dbraw/zinc/47/26/89/599472689.db2.gz JHYHAKARGDOHHN-UHFFFAOYSA-N -1 3 354.208 3.442 20 0 FGADHM Fc1ccc(NCc2ccc(Br)s2)c(-c2nn[n-]n2)c1 ZINC000822782845 599472690 /nfs/dbraw/zinc/47/26/90/599472690.db2.gz JHYHAKARGDOHHN-UHFFFAOYSA-N -1 3 354.208 3.442 20 0 FGADHM Cc1cccc(CN(C)C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000822304334 599475023 /nfs/dbraw/zinc/47/50/23/599475023.db2.gz SZCGWVAXOGHFBN-CQSZACIVSA-N -1 3 350.426 3.078 20 0 FGADHM Cc1cccc(CN(C)C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000822304334 599475026 /nfs/dbraw/zinc/47/50/26/599475026.db2.gz SZCGWVAXOGHFBN-CQSZACIVSA-N -1 3 350.426 3.078 20 0 FGADHM C[C@H](NC(=O)N(C)Cc1ccc(F)c(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820341656 599475706 /nfs/dbraw/zinc/47/57/06/599475706.db2.gz QZCGRZPSPOFLCK-NSHDSACASA-N -1 3 372.379 3.048 20 0 FGADHM C[C@H](NC(=O)N(C)Cc1ccc(F)c(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820341656 599475707 /nfs/dbraw/zinc/47/57/07/599475707.db2.gz QZCGRZPSPOFLCK-NSHDSACASA-N -1 3 372.379 3.048 20 0 FGADHM C[C@@H](NC(=O)N(C)[C@H](C)c1ccc(F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820340303 599477818 /nfs/dbraw/zinc/47/78/18/599477818.db2.gz JSOINJHKFGQFAC-CHWSQXEVSA-N -1 3 368.416 3.469 20 0 FGADHM C[C@@H](NC(=O)N(C)[C@H](C)c1ccc(F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820340303 599477819 /nfs/dbraw/zinc/47/78/19/599477819.db2.gz JSOINJHKFGQFAC-CHWSQXEVSA-N -1 3 368.416 3.469 20 0 FGADHM C[C@@H](NC(=O)c1ccccc1OCC1CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820397812 599502746 /nfs/dbraw/zinc/50/27/46/599502746.db2.gz USSCPCGJSAWZCF-CYBMUJFWSA-N -1 3 363.421 3.147 20 0 FGADHM C[C@@H](NC(=O)c1ccccc1OCC1CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820397812 599502747 /nfs/dbraw/zinc/50/27/47/599502747.db2.gz USSCPCGJSAWZCF-CYBMUJFWSA-N -1 3 363.421 3.147 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H](Cc1ccccc1)C1CC1 ZINC000737289975 599503048 /nfs/dbraw/zinc/50/30/48/599503048.db2.gz AOJFCCHPZYERIN-SFHVURJKSA-N -1 3 362.437 3.318 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@H](Cc1ccccc1)C1CC1 ZINC000737289975 599503050 /nfs/dbraw/zinc/50/30/50/599503050.db2.gz AOJFCCHPZYERIN-SFHVURJKSA-N -1 3 362.437 3.318 20 0 FGADHM C[C@@H](NC(=O)CSCc1ccc(F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820333442 599504714 /nfs/dbraw/zinc/50/47/14/599504714.db2.gz BVSYMBGUBAXPBH-GFCCVEGCSA-N -1 3 371.441 3.116 20 0 FGADHM C[C@@H](NC(=O)CSCc1ccc(F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820333442 599504717 /nfs/dbraw/zinc/50/47/17/599504717.db2.gz BVSYMBGUBAXPBH-GFCCVEGCSA-N -1 3 371.441 3.116 20 0 FGADHM Cc1cc(Cl)ccc1OCC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822202408 599504993 /nfs/dbraw/zinc/50/49/93/599504993.db2.gz YOOKJSQMUCPQJV-LBPRGKRZSA-N -1 3 371.828 3.085 20 0 FGADHM Cc1cc(Cl)ccc1OCC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822202408 599504994 /nfs/dbraw/zinc/50/49/94/599504994.db2.gz YOOKJSQMUCPQJV-LBPRGKRZSA-N -1 3 371.828 3.085 20 0 FGADHM C[C@H](NC(=O)CCSc1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820328291 599511243 /nfs/dbraw/zinc/51/12/43/599511243.db2.gz OSHFEJZZISRTKO-ZDUSSCGKSA-N -1 3 353.451 3.226 20 0 FGADHM C[C@H](NC(=O)CCSc1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820328291 599511246 /nfs/dbraw/zinc/51/12/46/599511246.db2.gz OSHFEJZZISRTKO-ZDUSSCGKSA-N -1 3 353.451 3.226 20 0 FGADHM C[C@@H](C[C@H](O)c1ccc(F)cc1)Nc1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820233432 607381962 /nfs/dbraw/zinc/38/19/62/607381962.db2.gz KFYAIYRARMLLJH-VFZGTOFNSA-N -1 3 363.343 3.208 20 0 FGADHM C[C@@H](C[C@H](O)c1ccc(F)cc1)Nc1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820233432 607381964 /nfs/dbraw/zinc/38/19/64/607381964.db2.gz KFYAIYRARMLLJH-VFZGTOFNSA-N -1 3 363.343 3.208 20 0 FGADHM Fc1ccc(N2CCO[C@@H](c3ccccc3Cl)C2)c(-c2nnn[n-]2)c1 ZINC000822778794 599527057 /nfs/dbraw/zinc/52/70/57/599527057.db2.gz NZMMPUWANRIDRN-MRXNPFEDSA-N -1 3 359.792 3.237 20 0 FGADHM Fc1ccc(N2CCO[C@@H](c3ccccc3Cl)C2)c(-c2nn[n-]n2)c1 ZINC000822778794 599527062 /nfs/dbraw/zinc/52/70/62/599527062.db2.gz NZMMPUWANRIDRN-MRXNPFEDSA-N -1 3 359.792 3.237 20 0 FGADHM O=C(c1ccc(F)cc1)[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000738268729 599534152 /nfs/dbraw/zinc/53/41/52/599534152.db2.gz RSZYORQSYZJVCW-CQSZACIVSA-N -1 3 369.375 3.244 20 0 FGADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)[C@H](C)c1ccsc1 ZINC000737025782 599539828 /nfs/dbraw/zinc/53/98/28/599539828.db2.gz NABSWRFRLACSKK-MRVPVSSYSA-N -1 3 364.814 3.299 20 0 FGADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)[C@H](C)c1ccsc1 ZINC000737025782 599539830 /nfs/dbraw/zinc/53/98/30/599539830.db2.gz NABSWRFRLACSKK-MRVPVSSYSA-N -1 3 364.814 3.299 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1coc(-c2ccccc2)n1 ZINC000738151058 599540316 /nfs/dbraw/zinc/54/03/16/599540316.db2.gz FTUYJGSFBHRDQN-UHFFFAOYSA-N -1 3 366.768 3.427 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1coc(-c2ccccc2)n1 ZINC000738151058 599540318 /nfs/dbraw/zinc/54/03/18/599540318.db2.gz FTUYJGSFBHRDQN-UHFFFAOYSA-N -1 3 366.768 3.427 20 0 FGADHM Cc1ccc(OCCC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1C ZINC000822263573 599543266 /nfs/dbraw/zinc/54/32/66/599543266.db2.gz TZNLQGPGCVFDID-OAHLLOKOSA-N -1 3 365.437 3.130 20 0 FGADHM Cc1ccc(OCCC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1C ZINC000822263573 599543268 /nfs/dbraw/zinc/54/32/68/599543268.db2.gz TZNLQGPGCVFDID-OAHLLOKOSA-N -1 3 365.437 3.130 20 0 FGADHM Cc1ccc2c(CC(=O)N[C@@H](C)c3cccc(-c4nnn[n-]4)c3)coc2c1 ZINC000822275610 599545000 /nfs/dbraw/zinc/54/50/00/599545000.db2.gz XBVHJIAYOJABLK-ZDUSSCGKSA-N -1 3 361.405 3.341 20 0 FGADHM Cc1ccc2c(CC(=O)N[C@@H](C)c3cccc(-c4nn[n-]n4)c3)coc2c1 ZINC000822275610 599545003 /nfs/dbraw/zinc/54/50/03/599545003.db2.gz XBVHJIAYOJABLK-ZDUSSCGKSA-N -1 3 361.405 3.341 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N[C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000737802050 599546825 /nfs/dbraw/zinc/54/68/25/599546825.db2.gz OLHUXMAXMHNKOR-JQBOOCOKSA-N -1 3 373.460 3.408 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N[C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000737802050 599546827 /nfs/dbraw/zinc/54/68/27/599546827.db2.gz OLHUXMAXMHNKOR-JQBOOCOKSA-N -1 3 373.460 3.408 20 0 FGADHM CC[C@H](C)[C@H]1CCCCN1C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736326664 599548090 /nfs/dbraw/zinc/54/80/90/599548090.db2.gz CGCMMDCRXKHXPN-XJKSGUPXSA-N -1 3 359.499 3.386 20 0 FGADHM CC[C@H](C)[C@H]1CCCCN1C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736326664 599548093 /nfs/dbraw/zinc/54/80/93/599548093.db2.gz CGCMMDCRXKHXPN-XJKSGUPXSA-N -1 3 359.499 3.386 20 0 FGADHM C[C@@H]1c2ccc(F)cc2CCN1C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000736304900 599555520 /nfs/dbraw/zinc/55/55/20/599555520.db2.gz WLFWUQVCYFFYLO-CYBMUJFWSA-N -1 3 365.412 3.084 20 0 FGADHM C[C@@H]1c2ccc(F)cc2CCN1C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000736304900 599555522 /nfs/dbraw/zinc/55/55/22/599555522.db2.gz WLFWUQVCYFFYLO-CYBMUJFWSA-N -1 3 365.412 3.084 20 0 FGADHM C[C@@H]1CSCCN1C(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000736294583 599557791 /nfs/dbraw/zinc/55/77/91/599557791.db2.gz WJISXASXPSESDS-CYBMUJFWSA-N -1 3 365.462 3.111 20 0 FGADHM C[C@@H]1CSCCN1C(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000736294583 599557794 /nfs/dbraw/zinc/55/77/94/599557794.db2.gz WJISXASXPSESDS-CYBMUJFWSA-N -1 3 365.462 3.111 20 0 FGADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N[C@H]1CSc2ccccc21 ZINC000822334900 599562138 /nfs/dbraw/zinc/56/21/38/599562138.db2.gz HTCKEFGCDYKOLF-HNNXBMFYSA-N -1 3 360.446 3.404 20 0 FGADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N[C@H]1CSc2ccccc21 ZINC000822334900 599562140 /nfs/dbraw/zinc/56/21/40/599562140.db2.gz HTCKEFGCDYKOLF-HNNXBMFYSA-N -1 3 360.446 3.404 20 0 FGADHM Fc1cc(-c2nnn[n-]2)cc(F)c1NCc1coc(-c2ccccc2)n1 ZINC000822740563 599586282 /nfs/dbraw/zinc/58/62/82/599586282.db2.gz LNDQCNFHHGPSAO-UHFFFAOYSA-N -1 3 354.320 3.412 20 0 FGADHM Fc1cc(-c2nn[n-]n2)cc(F)c1NCc1coc(-c2ccccc2)n1 ZINC000822740563 599586285 /nfs/dbraw/zinc/58/62/85/599586285.db2.gz LNDQCNFHHGPSAO-UHFFFAOYSA-N -1 3 354.320 3.412 20 0 FGADHM COc1ccc(C[C@@H]2CCCN(c3cccc(F)c3-c3nnn[n-]3)C2)cc1 ZINC000821789994 599591721 /nfs/dbraw/zinc/59/17/21/599591721.db2.gz DGTZRDHPVCNDET-HNNXBMFYSA-N -1 3 367.428 3.474 20 0 FGADHM COc1ccc(C[C@@H]2CCCN(c3cccc(F)c3-c3nn[n-]n3)C2)cc1 ZINC000821789994 599591724 /nfs/dbraw/zinc/59/17/24/599591724.db2.gz DGTZRDHPVCNDET-HNNXBMFYSA-N -1 3 367.428 3.474 20 0 FGADHM CCc1cc(NC(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)n[nH]1 ZINC000736676268 599603848 /nfs/dbraw/zinc/60/38/48/599603848.db2.gz CYGRRLZPLUOFRZ-UHFFFAOYSA-N -1 3 374.408 3.148 20 0 FGADHM Cc1ccc([C@@H](C)CNC(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737318364 599614734 /nfs/dbraw/zinc/61/47/34/599614734.db2.gz AGFIOVYNQSAVDF-HNNXBMFYSA-N -1 3 364.453 3.120 20 0 FGADHM Cc1ccc([C@@H](C)CNC(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737318364 599614736 /nfs/dbraw/zinc/61/47/36/599614736.db2.gz AGFIOVYNQSAVDF-HNNXBMFYSA-N -1 3 364.453 3.120 20 0 FGADHM Cc1ccc(Br)cc1C(=O)OCc1ccccc1-c1nnn[n-]1 ZINC000822225343 599621640 /nfs/dbraw/zinc/62/16/40/599621640.db2.gz ZLBUNMAJEKEESV-UHFFFAOYSA-N -1 3 373.210 3.295 20 0 FGADHM Cc1ccc(Br)cc1C(=O)OCc1ccccc1-c1nn[n-]n1 ZINC000822225343 599621641 /nfs/dbraw/zinc/62/16/41/599621641.db2.gz ZLBUNMAJEKEESV-UHFFFAOYSA-N -1 3 373.210 3.295 20 0 FGADHM Cc1c(Br)cccc1C(=O)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000822015255 599623165 /nfs/dbraw/zinc/62/31/65/599623165.db2.gz GKFYNFZJERVOPS-UHFFFAOYSA-N -1 3 373.210 3.295 20 0 FGADHM Cc1c(Br)cccc1C(=O)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000822015255 599623166 /nfs/dbraw/zinc/62/31/66/599623166.db2.gz GKFYNFZJERVOPS-UHFFFAOYSA-N -1 3 373.210 3.295 20 0 FGADHM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)OCc1cccc(-c2nnn[n-]2)c1 ZINC000820939035 599623261 /nfs/dbraw/zinc/62/32/61/599623261.db2.gz PBHTXPGLAMTWPQ-XYPHTWIQSA-N -1 3 358.442 3.284 20 0 FGADHM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)OCc1cccc(-c2nn[n-]n2)c1 ZINC000820939035 599623262 /nfs/dbraw/zinc/62/32/62/599623262.db2.gz PBHTXPGLAMTWPQ-XYPHTWIQSA-N -1 3 358.442 3.284 20 0 FGADHM CC(C)[C@@H](C(=O)OCCOc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000820015976 599623726 /nfs/dbraw/zinc/62/37/26/599623726.db2.gz ILPOHIVMTRWPBR-GOSISDBHSA-N -1 3 366.421 3.229 20 0 FGADHM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)Oc1cccc2[nH]ccc21 ZINC000823060937 599626478 /nfs/dbraw/zinc/62/64/78/599626478.db2.gz PAKUGDURYKKKDU-UHFFFAOYSA-N -1 3 365.418 3.187 20 0 FGADHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)Oc1cccc2[nH]ccc21 ZINC000823060937 599626479 /nfs/dbraw/zinc/62/64/79/599626479.db2.gz PAKUGDURYKKKDU-UHFFFAOYSA-N -1 3 365.418 3.187 20 0 FGADHM CCCOc1ccc(CCC(=O)Nc2ccccc2-c2nnn[n-]2)cc1 ZINC000821134559 599627812 /nfs/dbraw/zinc/62/78/12/599627812.db2.gz YNEFNUCIGJHBCW-UHFFFAOYSA-N -1 3 351.410 3.227 20 0 FGADHM CCCOc1ccc(CCC(=O)Nc2ccccc2-c2nn[n-]n2)cc1 ZINC000821134559 599627813 /nfs/dbraw/zinc/62/78/13/599627813.db2.gz YNEFNUCIGJHBCW-UHFFFAOYSA-N -1 3 351.410 3.227 20 0 FGADHM COc1cccc([C@@H](C)OC(=O)C=Cc2ccccc2-c2nnn[n-]2)c1 ZINC000821858065 599628004 /nfs/dbraw/zinc/62/80/04/599628004.db2.gz CTNFDIFYEKJCPC-BSYHEUMXSA-N -1 3 350.378 3.193 20 0 FGADHM COc1cccc([C@@H](C)OC(=O)C=Cc2ccccc2-c2nn[n-]n2)c1 ZINC000821858065 599628005 /nfs/dbraw/zinc/62/80/05/599628005.db2.gz CTNFDIFYEKJCPC-BSYHEUMXSA-N -1 3 350.378 3.193 20 0 FGADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)[C@H](C)c1ccc(C)o1 ZINC000821699134 599629590 /nfs/dbraw/zinc/62/95/90/599629590.db2.gz DCLVVPZKIAFOQE-SECBINFHSA-N -1 3 362.773 3.139 20 0 FGADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)[C@H](C)c1ccc(C)o1 ZINC000821699134 599629591 /nfs/dbraw/zinc/62/95/91/599629591.db2.gz DCLVVPZKIAFOQE-SECBINFHSA-N -1 3 362.773 3.139 20 0 FGADHM CCCCSCC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000821077697 599632023 /nfs/dbraw/zinc/63/20/23/599632023.db2.gz QKLNZZGBFDYYKB-UHFFFAOYSA-N -1 3 359.377 3.357 20 0 FGADHM CCCCSCC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821077697 599632024 /nfs/dbraw/zinc/63/20/24/599632024.db2.gz QKLNZZGBFDYYKB-UHFFFAOYSA-N -1 3 359.377 3.357 20 0 FGADHM O=C(CCc1ccccc1)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000822983804 599632661 /nfs/dbraw/zinc/63/26/61/599632661.db2.gz UTQATTHJQJILOF-UHFFFAOYSA-N -1 3 361.327 3.457 20 0 FGADHM O=C(CCc1ccccc1)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000822983804 599632662 /nfs/dbraw/zinc/63/26/62/599632662.db2.gz UTQATTHJQJILOF-UHFFFAOYSA-N -1 3 361.327 3.457 20 0 FGADHM Cc1cc(F)ccc1N(CCCCCO)Cc1cccc(-c2nnn[n-]2)c1 ZINC000822206152 599638767 /nfs/dbraw/zinc/63/87/67/599638767.db2.gz WBTJUNUIDRRBRD-UHFFFAOYSA-N -1 3 369.444 3.483 20 0 FGADHM Cc1cc(F)ccc1N(CCCCCO)Cc1cccc(-c2nn[n-]n2)c1 ZINC000822206152 599638768 /nfs/dbraw/zinc/63/87/68/599638768.db2.gz WBTJUNUIDRRBRD-UHFFFAOYSA-N -1 3 369.444 3.483 20 0 FGADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)N[C@H](c1cccs1)C1CC1 ZINC000823235152 599667773 /nfs/dbraw/zinc/66/77/73/599667773.db2.gz SBGAFJCVOKWANN-HNNXBMFYSA-N -1 3 372.429 3.018 20 0 FGADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)N[C@H](c1cccs1)C1CC1 ZINC000823235152 599667774 /nfs/dbraw/zinc/66/77/74/599667774.db2.gz SBGAFJCVOKWANN-HNNXBMFYSA-N -1 3 372.429 3.018 20 0 FGADHM CCCCC[C@H](C)CC(=O)O[C@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000821049298 599668197 /nfs/dbraw/zinc/66/81/97/599668197.db2.gz KILYKXISBLCWKE-UONOGXRCSA-N -1 3 373.457 3.343 20 0 FGADHM CCCCC[C@H](C)CC(=O)O[C@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000821049298 599668198 /nfs/dbraw/zinc/66/81/98/599668198.db2.gz KILYKXISBLCWKE-UONOGXRCSA-N -1 3 373.457 3.343 20 0 FGADHM C[C@H](CCc1ccccc1F)C(=O)OCc1ccc(-c2nnn[n-]2)cc1F ZINC000820254895 599669930 /nfs/dbraw/zinc/66/99/30/599669930.db2.gz ZGOMQQXFJRSCHO-GFCCVEGCSA-N -1 3 372.375 3.457 20 0 FGADHM C[C@H](CCc1ccccc1F)C(=O)OCc1ccc(-c2nn[n-]n2)cc1F ZINC000820254895 599669931 /nfs/dbraw/zinc/66/99/31/599669931.db2.gz ZGOMQQXFJRSCHO-GFCCVEGCSA-N -1 3 372.375 3.457 20 0 FGADHM CCS[C@@H]1CCCCN(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000821456873 599681737 /nfs/dbraw/zinc/68/17/37/599681737.db2.gz SIUKXIIEGOTLRN-XJKSGUPXSA-N -1 3 374.514 3.245 20 0 FGADHM CCS[C@@H]1CCCCN(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000821456873 599681738 /nfs/dbraw/zinc/68/17/38/599681738.db2.gz SIUKXIIEGOTLRN-XJKSGUPXSA-N -1 3 374.514 3.245 20 0 FGADHM Cc1cccc(NC(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)c1Cl ZINC000822323891 599693847 /nfs/dbraw/zinc/69/38/47/599693847.db2.gz QIDLQLKZIYOGCE-UHFFFAOYSA-N -1 3 356.817 3.492 20 0 FGADHM Cc1cccc(NC(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)c1Cl ZINC000822323891 599693848 /nfs/dbraw/zinc/69/38/48/599693848.db2.gz QIDLQLKZIYOGCE-UHFFFAOYSA-N -1 3 356.817 3.492 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCc1nc(C(C)(C)C)cs1 ZINC000826252597 607388139 /nfs/dbraw/zinc/38/81/39/607388139.db2.gz JUVWEPICBDRHND-UHFFFAOYSA-N -1 3 357.439 3.286 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCc1nc(C(C)(C)C)cs1 ZINC000826252597 607388141 /nfs/dbraw/zinc/38/81/41/607388141.db2.gz JUVWEPICBDRHND-UHFFFAOYSA-N -1 3 357.439 3.286 20 0 FGADHM CCc1nc(C)c(C(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)s1 ZINC000821504672 607398957 /nfs/dbraw/zinc/39/89/57/607398957.db2.gz IKFXIAKOXBBJJF-UHFFFAOYSA-N -1 3 372.454 3.234 20 0 FGADHM CCc1nc(C)c(C(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)s1 ZINC000821504672 607398959 /nfs/dbraw/zinc/39/89/59/607398959.db2.gz IKFXIAKOXBBJJF-UHFFFAOYSA-N -1 3 372.454 3.234 20 0 FGADHM CC(C)Oc1ccc(NC(=O)c2cc3ccccc3[nH]2)cc1-c1nnn[n-]1 ZINC000820169229 607397127 /nfs/dbraw/zinc/39/71/27/607397127.db2.gz ISUNRKZTXQZKHK-UHFFFAOYSA-N -1 3 362.393 3.388 20 0 FGADHM CC(C)Oc1ccc(NC(=O)c2cc3ccccc3[nH]2)cc1-c1nn[n-]n1 ZINC000820169229 607397128 /nfs/dbraw/zinc/39/71/28/607397128.db2.gz ISUNRKZTXQZKHK-UHFFFAOYSA-N -1 3 362.393 3.388 20 0 FGADHM CCC(=O)c1ccc(OC(=O)c2ccc(-c3nnn[n-]3)cc2C)c(F)c1 ZINC000825039501 607402184 /nfs/dbraw/zinc/40/21/84/607402184.db2.gz SIGVNTAIHAABOG-UHFFFAOYSA-N -1 3 354.341 3.126 20 0 FGADHM CCC(=O)c1ccc(OC(=O)c2ccc(-c3nn[n-]n3)cc2C)c(F)c1 ZINC000825039501 607402186 /nfs/dbraw/zinc/40/21/86/607402186.db2.gz SIGVNTAIHAABOG-UHFFFAOYSA-N -1 3 354.341 3.126 20 0 FGADHM Cc1ccc([C@H](C)C(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)o1 ZINC000822227867 607402814 /nfs/dbraw/zinc/40/28/14/607402814.db2.gz YTZAVUUTCFHFSP-LBPRGKRZSA-N -1 3 355.398 3.298 20 0 FGADHM Cc1ccc([C@H](C)C(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)o1 ZINC000822227867 607402816 /nfs/dbraw/zinc/40/28/16/607402816.db2.gz YTZAVUUTCFHFSP-LBPRGKRZSA-N -1 3 355.398 3.298 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)c1cc2cc(F)ccc2[nH]1 ZINC000826253976 607403638 /nfs/dbraw/zinc/40/36/38/607403638.db2.gz NQTVCGZVPQWNDF-UHFFFAOYSA-N -1 3 351.341 3.153 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)c1cc2cc(F)ccc2[nH]1 ZINC000826253976 607403639 /nfs/dbraw/zinc/40/36/39/607403639.db2.gz NQTVCGZVPQWNDF-UHFFFAOYSA-N -1 3 351.341 3.153 20 0 FGADHM C[C@@H](CN(CC(=O)N(C)Cc1ccc(Cl)c(Cl)c1)C1CC1)C(=O)[O-] ZINC000736577576 599952352 /nfs/dbraw/zinc/95/23/52/599952352.db2.gz DBAHHZYWKFFBNG-NSHDSACASA-N -1 3 373.280 3.137 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)[C@@H]1CCCc2ccccc21 ZINC000821736525 607411677 /nfs/dbraw/zinc/41/16/77/607411677.db2.gz LQOCNSPNTRMNIF-QGZVFWFLSA-N -1 3 364.405 3.039 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)[C@@H]1CCCc2ccccc21 ZINC000821736525 607411678 /nfs/dbraw/zinc/41/16/78/607411678.db2.gz LQOCNSPNTRMNIF-QGZVFWFLSA-N -1 3 364.405 3.039 20 0 FGADHM CCc1ccc([C@H](CNC(=O)CCc2ccc(C(=O)[O-])cc2)N(C)C)cc1 ZINC000737258540 600060235 /nfs/dbraw/zinc/06/02/35/600060235.db2.gz HQLKBCLSSYTOPH-FQEVSTJZSA-N -1 3 368.477 3.299 20 0 FGADHM O=C(/C=C\SCc1ccco1)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826399744 607416813 /nfs/dbraw/zinc/41/68/13/607416813.db2.gz DUJIYNJOSYXSBN-POHAHGRESA-N -1 3 367.434 3.012 20 0 FGADHM O=C(/C=C\SCc1ccco1)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826399744 607416815 /nfs/dbraw/zinc/41/68/15/607416815.db2.gz DUJIYNJOSYXSBN-POHAHGRESA-N -1 3 367.434 3.012 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)[C@H](SC)c1ccccc1 ZINC000821737308 607417745 /nfs/dbraw/zinc/41/77/45/607417745.db2.gz UQTMTVMBMGSROF-MRXNPFEDSA-N -1 3 370.434 3.023 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)[C@H](SC)c1ccccc1 ZINC000821737308 607417748 /nfs/dbraw/zinc/41/77/48/607417748.db2.gz UQTMTVMBMGSROF-MRXNPFEDSA-N -1 3 370.434 3.023 20 0 FGADHM O=C([O-])CCSCc1cccc(NC(=O)NCCN2CCCCC2)c1 ZINC000739753622 600124484 /nfs/dbraw/zinc/12/44/84/600124484.db2.gz FSWXLLFKFQASEA-UHFFFAOYSA-N -1 3 365.499 3.002 20 0 FGADHM CC(C)c1ccc(CN(C(=O)CN2CCC[C@@H](C(=O)[O-])C2)C2CC2)cc1 ZINC000736513771 600129172 /nfs/dbraw/zinc/12/91/72/600129172.db2.gz HQZCMAVVKXLELB-GOSISDBHSA-N -1 3 358.482 3.098 20 0 FGADHM CC(=CC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1cccc(F)c1 ZINC000823943534 607423354 /nfs/dbraw/zinc/42/33/54/607423354.db2.gz QDONJKDLZNGDCN-JLHYYAGUSA-N -1 3 363.396 3.215 20 0 FGADHM CC(=CC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1cccc(F)c1 ZINC000823943534 607423355 /nfs/dbraw/zinc/42/33/55/607423355.db2.gz QDONJKDLZNGDCN-JLHYYAGUSA-N -1 3 363.396 3.215 20 0 FGADHM CC[C@@H]1C[C@H](C)CN1C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000820966381 607428684 /nfs/dbraw/zinc/42/86/84/607428684.db2.gz DNCBHMZFLSTVLG-GXTWGEPZSA-N -1 3 358.446 3.306 20 0 FGADHM CC[C@@H]1C[C@H](C)CN1C(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000820966381 607428685 /nfs/dbraw/zinc/42/86/85/607428685.db2.gz DNCBHMZFLSTVLG-GXTWGEPZSA-N -1 3 358.446 3.306 20 0 FGADHM Cc1cccc2c(CCC(=O)N(C)c3ccc(-c4nnn[n-]4)cc3)c[nH]c21 ZINC000826304374 607434667 /nfs/dbraw/zinc/43/46/67/607434667.db2.gz IVMMAWMSLHNXLS-UHFFFAOYSA-N -1 3 360.421 3.252 20 0 FGADHM Cc1cccc2c(CCC(=O)N(C)c3ccc(-c4nn[n-]n4)cc3)c[nH]c21 ZINC000826304374 607434669 /nfs/dbraw/zinc/43/46/69/607434669.db2.gz IVMMAWMSLHNXLS-UHFFFAOYSA-N -1 3 360.421 3.252 20 0 FGADHM C[C@H](C(=O)Nc1ccccc1Cc1ccccc1)N(C)C[C@H](C)C(=O)[O-] ZINC000736571584 600365507 /nfs/dbraw/zinc/36/55/07/600365507.db2.gz KSEQYKFZZRZVGY-JKSUJKDBSA-N -1 3 354.450 3.257 20 0 FGADHM C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)Nc2ccc(F)c(C(=O)[O-])c2)C1 ZINC000736726214 600384302 /nfs/dbraw/zinc/38/43/02/600384302.db2.gz ZUOHNZDITAJTKS-CZUORRHYSA-N -1 3 371.412 3.481 20 0 FGADHM C[C@H](CNC(=O)Nc1ccc(F)c(C(=O)[O-])c1)N(C)Cc1ccccc1 ZINC000390558913 600389714 /nfs/dbraw/zinc/38/97/14/600389714.db2.gz RJIYRASXGFWFOY-CYBMUJFWSA-N -1 3 359.401 3.166 20 0 FGADHM CN(C)Cc1c2ccccc2oc1C(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000737368440 600409382 /nfs/dbraw/zinc/40/93/82/600409382.db2.gz PQGDFFFLVIRWLG-UHFFFAOYSA-N -1 3 364.401 3.349 20 0 FGADHM CC(C)C(=O)N1CCCN(Cc2c3ccccc3sc2C(=O)[O-])CC1 ZINC000736345676 600432298 /nfs/dbraw/zinc/43/22/98/600432298.db2.gz ROOXOJPWSVPGKB-UHFFFAOYSA-N -1 3 360.479 3.290 20 0 FGADHM Cc1ccc([C@@H](C)N[C@@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)c(C)c1 ZINC000738550450 600523169 /nfs/dbraw/zinc/52/31/69/600523169.db2.gz FHAOFZUQLKQAPZ-CVEARBPZSA-N -1 3 354.450 3.357 20 0 FGADHM Cc1ccc([C@@H](C)N[C@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)cc1C ZINC000738552067 600523244 /nfs/dbraw/zinc/52/32/44/600523244.db2.gz LSXOAMRVMZQWGG-HZPDHXFCSA-N -1 3 354.450 3.357 20 0 FGADHM Cc1ccc([C@@H](C)N[C@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)c(C)c1 ZINC000738550454 600523255 /nfs/dbraw/zinc/52/32/55/600523255.db2.gz FHAOFZUQLKQAPZ-HZPDHXFCSA-N -1 3 354.450 3.357 20 0 FGADHM O=C([O-])c1ccc(CNC(=O)N[C@H](CN2CCCCC2)c2ccccc2)o1 ZINC000739437460 600566476 /nfs/dbraw/zinc/56/64/76/600566476.db2.gz JTPIPOADWKJZFY-QGZVFWFLSA-N -1 3 371.437 3.004 20 0 FGADHM O=C(COc1cc(Cl)ccc1Cl)Nc1ccccc1-c1nnn[n-]1 ZINC000823031925 607455485 /nfs/dbraw/zinc/45/54/85/607455485.db2.gz JTRGNCMCDDEFLN-UHFFFAOYSA-N -1 3 364.192 3.191 20 0 FGADHM O=C(COc1cc(Cl)ccc1Cl)Nc1ccccc1-c1nn[n-]n1 ZINC000823031925 607455486 /nfs/dbraw/zinc/45/54/86/607455486.db2.gz JTRGNCMCDDEFLN-UHFFFAOYSA-N -1 3 364.192 3.191 20 0 FGADHM Cc1oc(CN(C)C2CCN(C(=O)c3ccccc3)CC2)cc1C(=O)[O-] ZINC000738967164 600640983 /nfs/dbraw/zinc/64/09/83/600640983.db2.gz SFSXTVNVVJDGRH-UHFFFAOYSA-N -1 3 356.422 3.023 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1cc(-c2ccccc2F)no1 ZINC000826249885 607462127 /nfs/dbraw/zinc/46/21/27/607462127.db2.gz ZQZLGKSZDTZCEE-UHFFFAOYSA-N -1 3 364.340 3.222 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1cc(-c2ccccc2F)no1 ZINC000826249885 607462129 /nfs/dbraw/zinc/46/21/29/607462129.db2.gz ZQZLGKSZDTZCEE-UHFFFAOYSA-N -1 3 364.340 3.222 20 0 FGADHM Cc1sc(CC(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)nc1C(C)C ZINC000826349608 607468212 /nfs/dbraw/zinc/46/82/12/607468212.db2.gz NWTTVYFTZQPVKI-NSHDSACASA-N -1 3 370.482 3.175 20 0 FGADHM Cc1sc(CC(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)nc1C(C)C ZINC000826349608 607468214 /nfs/dbraw/zinc/46/82/14/607468214.db2.gz NWTTVYFTZQPVKI-NSHDSACASA-N -1 3 370.482 3.175 20 0 FGADHM CN(C)Cc1cccc(C(=O)Nc2nc(-c3c[nH]c(C(=O)[O-])c3)cs2)c1 ZINC000737370691 600802137 /nfs/dbraw/zinc/80/21/37/600802137.db2.gz QDVRHIINVGGPPL-UHFFFAOYSA-N -1 3 370.434 3.150 20 0 FGADHM CN(C)Cc1cccc(C(=O)Nc2ccc(OCCCC(=O)[O-])cc2)c1 ZINC000737370989 600802167 /nfs/dbraw/zinc/80/21/67/600802167.db2.gz UYIIRNGPXCWPAG-UHFFFAOYSA-N -1 3 356.422 3.244 20 0 FGADHM C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1CCc1ccc2c(c1)CCO2 ZINC000828493486 600822110 /nfs/dbraw/zinc/82/21/10/600822110.db2.gz FVNNHTYMEFOUFG-MRXNPFEDSA-N -1 3 366.461 3.073 20 0 FGADHM O=C([O-])[C@@H]1CCC[C@@H](C(=O)N[C@H](CN2CCCCC2)c2ccccc2)C1 ZINC000833182762 600926530 /nfs/dbraw/zinc/92/65/30/600926530.db2.gz GJISVRFYUNDBPD-GUDVDZBRSA-N -1 3 358.482 3.221 20 0 FGADHM Cc1ccc(NC(=O)N(CCN(C)C)Cc2ccc(F)cc2)cc1C(=O)[O-] ZINC000832944869 601141333 /nfs/dbraw/zinc/14/13/33/601141333.db2.gz OCOURTJOHGGIHZ-UHFFFAOYSA-N -1 3 373.428 3.428 20 0 FGADHM Fc1cc(-c2nnn[n-]2)ccc1CNc1ccc(OC2CCCC2)nc1 ZINC000822744664 607493133 /nfs/dbraw/zinc/49/31/33/607493133.db2.gz ZJZLEMRBDHNGMZ-UHFFFAOYSA-N -1 3 354.389 3.334 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1CNc1ccc(OC2CCCC2)nc1 ZINC000822744664 607493134 /nfs/dbraw/zinc/49/31/34/607493134.db2.gz ZJZLEMRBDHNGMZ-UHFFFAOYSA-N -1 3 354.389 3.334 20 0 FGADHM C[C@H](CSCc1ccccc1)C(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000820292356 607501689 /nfs/dbraw/zinc/50/16/89/607501689.db2.gz DKKZKJZOFZYKKA-GFCCVEGCSA-N -1 3 372.425 3.481 20 0 FGADHM C[C@H](CSCc1ccccc1)C(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000820292356 607501691 /nfs/dbraw/zinc/50/16/91/607501691.db2.gz DKKZKJZOFZYKKA-GFCCVEGCSA-N -1 3 372.425 3.481 20 0 FGADHM COc1ccc(CN2CCc3c(Cl)cccc3C2)cc1-c1nnn[n-]1 ZINC000826195043 607504739 /nfs/dbraw/zinc/50/47/39/607504739.db2.gz GDUZPCATHPCDGM-UHFFFAOYSA-N -1 3 355.829 3.087 20 0 FGADHM COc1ccc(CN2CCc3c(Cl)cccc3C2)cc1-c1nn[n-]n1 ZINC000826195043 607504740 /nfs/dbraw/zinc/50/47/40/607504740.db2.gz GDUZPCATHPCDGM-UHFFFAOYSA-N -1 3 355.829 3.087 20 0 FGADHM CCc1oc(C(=O)[O-])cc1CN1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 ZINC000830369328 601420605 /nfs/dbraw/zinc/42/06/05/601420605.db2.gz MRRWBFVISWOVJH-CQSZACIVSA-N -1 3 371.437 3.094 20 0 FGADHM COc1cccc(NC(=O)[C@@H](NCC(C)(C)C(=O)[O-])c2ccccc2)c1 ZINC000832561632 601644394 /nfs/dbraw/zinc/64/43/94/601644394.db2.gz BUXJQPIVXLMXKK-KRWDZBQOSA-N -1 3 356.422 3.075 20 0 FGADHM CCN(C[C@@H]1CCN(Cc2ccc(C(=O)[O-])c(F)c2)C1)CC(F)(F)F ZINC000829687312 601649296 /nfs/dbraw/zinc/64/92/96/601649296.db2.gz JSDXJQDBNBDJHQ-ZDUSSCGKSA-N -1 3 362.367 3.230 20 0 FGADHM CCN(Cc1cccc(F)c1)C(=O)CN[C@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000829722568 601658147 /nfs/dbraw/zinc/65/81/47/601658147.db2.gz NOOJHRRUBYQOMH-QRWLVFNGSA-N -1 3 372.440 3.226 20 0 FGADHM CC(C(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1)=C1CCCC1 ZINC000825995413 601776405 /nfs/dbraw/zinc/77/64/05/601776405.db2.gz OVLLZGFLMPXJOC-NRFANRHFSA-N -1 3 356.466 3.113 20 0 FGADHM CN(C[C@H](O)c1ccc(F)cc1)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830714373 601900690 /nfs/dbraw/zinc/90/06/90/601900690.db2.gz QHMSNODFVHWATI-GOEBONIOSA-N -1 3 357.303 3.034 20 0 FGADHM CN(C(=O)[O-])[C@H]1CCCN(Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000739585816 601966267 /nfs/dbraw/zinc/96/62/67/601966267.db2.gz PVPKLFQTQXKNNE-SFHVURJKSA-N -1 3 355.438 3.235 20 0 FGADHM CN(C)CCN(C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1)C1CCCC1 ZINC000830604715 602207938 /nfs/dbraw/zinc/20/79/38/602207938.db2.gz UBCAPUOXQKHOLK-UHFFFAOYSA-N -1 3 353.850 3.376 20 0 FGADHM CC(C)[C@H](O)CC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000824207087 607555471 /nfs/dbraw/zinc/55/54/71/607555471.db2.gz PJYCTBKBYRPBHS-MRXNPFEDSA-N -1 3 367.409 3.005 20 0 FGADHM CC(C)[C@H](O)CC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000824207087 607555472 /nfs/dbraw/zinc/55/54/72/607555472.db2.gz PJYCTBKBYRPBHS-MRXNPFEDSA-N -1 3 367.409 3.005 20 0 FGADHM Cc1ccc2c(CN3CCC([C@H](C)NC(=O)[O-])CC3)cc(=O)oc2c1C ZINC000740154111 602450753 /nfs/dbraw/zinc/45/07/53/602450753.db2.gz ONTWUJHXZNCUQD-AWEZNQCLSA-N -1 3 358.438 3.278 20 0 FGADHM CN(C[C@H]1CCN(Cn2c3ccccc3nc2SC(F)F)C1)C(=O)[O-] ZINC000739664239 602524805 /nfs/dbraw/zinc/52/48/05/602524805.db2.gz MHIQPGJQLJYCOI-LLVKDONJSA-N -1 3 370.425 3.240 20 0 FGADHM CCCCC[C@@H]1CCCN1C(=O)NCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000825268337 607572556 /nfs/dbraw/zinc/57/25/56/607572556.db2.gz SOYJNDWXCGAKDQ-OAHLLOKOSA-N -1 3 372.473 3.130 20 0 FGADHM CCCCC[C@@H]1CCCN1C(=O)NCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000825268337 607572557 /nfs/dbraw/zinc/57/25/57/607572557.db2.gz SOYJNDWXCGAKDQ-OAHLLOKOSA-N -1 3 372.473 3.130 20 0 FGADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)c1cc(F)c(F)cc1F ZINC000826453604 607577440 /nfs/dbraw/zinc/57/74/40/607577440.db2.gz RCJFILGVTXJFMG-UHFFFAOYSA-N -1 3 353.691 3.190 20 0 FGADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)c1cc(F)c(F)cc1F ZINC000826453604 607577442 /nfs/dbraw/zinc/57/74/42/607577442.db2.gz RCJFILGVTXJFMG-UHFFFAOYSA-N -1 3 353.691 3.190 20 0 FGADHM CC[C@H](SC)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000825159299 607578086 /nfs/dbraw/zinc/57/80/86/607578086.db2.gz NBSPBIPHYBXJEA-AWEZNQCLSA-N -1 3 370.438 3.134 20 0 FGADHM CC[C@H](SC)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000825159299 607578088 /nfs/dbraw/zinc/57/80/88/607578088.db2.gz NBSPBIPHYBXJEA-AWEZNQCLSA-N -1 3 370.438 3.134 20 0 FGADHM O=C([O-])N1CC[C@H](NCc2cc(Cl)ccc2OCc2cccnc2)C1 ZINC000740504917 602878230 /nfs/dbraw/zinc/87/82/30/602878230.db2.gz FMPOQYUBSRPXMR-INIZCTEOSA-N -1 3 361.829 3.156 20 0 FGADHM Cc1ccc([C@H](CNC(=O)[C@@H]2CCC[C@H](NC(=O)[O-])C2)N2CCCC2)cc1 ZINC000740116771 603251479 /nfs/dbraw/zinc/25/14/79/603251479.db2.gz GCVUUMDLQHPWRS-QYZOEREBSA-N -1 3 373.497 3.075 20 0 FGADHM 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20 0 FGADHM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1ccccc1Oc1ccccc1 ZINC000824514179 607720310 /nfs/dbraw/zinc/72/03/10/607720310.db2.gz MOFHOKFKZWJIKE-CYBMUJFWSA-N -1 3 374.404 3.478 20 0 FGADHM Cc1c(NC(=O)N[C@@H](C)CN(C)Cc2ccccc2)cccc1C(=O)[O-] ZINC000388344664 605057529 /nfs/dbraw/zinc/05/75/29/605057529.db2.gz YUKCDQSBXINSQV-AWEZNQCLSA-N -1 3 355.438 3.335 20 0 FGADHM CC(C)[C@@H](c1ccccc1Cl)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000824215567 607738625 /nfs/dbraw/zinc/73/86/25/607738625.db2.gz LMMWRZLQPYVOCI-HNNXBMFYSA-N -1 3 358.833 3.318 20 0 FGADHM CC(C)[C@@H](c1ccccc1Cl)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000824215567 607738626 /nfs/dbraw/zinc/73/86/26/607738626.db2.gz LMMWRZLQPYVOCI-HNNXBMFYSA-N -1 3 358.833 3.318 20 0 FGADHM CC(C)N(CC(F)(F)F)C(=O)CN[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000833496927 605183980 /nfs/dbraw/zinc/18/39/80/605183980.db2.gz SKWCOQBXXZYEMU-OAHLLOKOSA-N -1 3 374.403 3.227 20 0 FGADHM CC(C)C[C@@H](C)NC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000824230095 607763362 /nfs/dbraw/zinc/76/33/62/607763362.db2.gz ZOBZXIKJEQTJMJ-CYBMUJFWSA-N -1 3 369.425 3.203 20 0 FGADHM CC(C)C[C@@H](C)NC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000824230095 607763363 /nfs/dbraw/zinc/76/33/63/607763363.db2.gz ZOBZXIKJEQTJMJ-CYBMUJFWSA-N -1 3 369.425 3.203 20 0 FGADHM Cc1nn(Cc2ccccc2)c(C)c1CN1CCC([C@@H](C)NC(=O)[O-])CC1 ZINC000833920881 605587452 /nfs/dbraw/zinc/58/74/52/605587452.db2.gz OCSMZPGRFLPUBP-OAHLLOKOSA-N -1 3 370.497 3.416 20 0 FGADHM CS[C@H](C)CNC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826226413 607764425 /nfs/dbraw/zinc/76/44/25/607764425.db2.gz YZJQKANUFPCQQB-GFCCVEGCSA-N -1 3 368.466 3.092 20 0 FGADHM C[C@@H](CC(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)C1CC1 ZINC000824384514 607770305 /nfs/dbraw/zinc/77/03/05/607770305.db2.gz CSCSDIJUTOLGAH-JTQLQIEISA-N -1 3 354.439 3.365 20 0 FGADHM C[C@@H](CC(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)C1CC1 ZINC000824384514 607770306 /nfs/dbraw/zinc/77/03/06/607770306.db2.gz CSCSDIJUTOLGAH-JTQLQIEISA-N -1 3 354.439 3.365 20 0 FGADHM C[C@H]1CC[C@@H](NC(=O)COc2ccccc2-c2nnn[n-]2)c2ccccc21 ZINC000824919154 607771866 /nfs/dbraw/zinc/77/18/66/607771866.db2.gz SASVPRCIFPGPRK-SUMWQHHRSA-N -1 3 363.421 3.000 20 0 FGADHM C[C@H]1CC[C@@H](NC(=O)COc2ccccc2-c2nn[n-]n2)c2ccccc21 ZINC000824919154 607771867 /nfs/dbraw/zinc/77/18/67/607771867.db2.gz SASVPRCIFPGPRK-SUMWQHHRSA-N -1 3 363.421 3.000 20 0 FGADHM O=C([O-])N[C@@H]1C[C@H](NCc2ccnc(N3CCCC3)c2)c2ccccc21 ZINC000834159022 605792853 /nfs/dbraw/zinc/79/28/53/605792853.db2.gz QREZBZNSJVECPB-ZWKOTPCHSA-N -1 3 352.438 3.225 20 0 FGADHM C[C@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2)c1cccnc1 ZINC000819877333 606051984 /nfs/dbraw/zinc/05/19/84/606051984.db2.gz TZMAJKBRPODDHF-NSHDSACASA-N -1 3 368.466 3.334 20 0 FGADHM C[C@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2)c1cccnc1 ZINC000819877333 606051989 /nfs/dbraw/zinc/05/19/89/606051989.db2.gz TZMAJKBRPODDHF-NSHDSACASA-N -1 3 368.466 3.334 20 0 FGADHM Clc1ccccc1C1(CNc2ccc(-c3nnn[n-]3)nc2)CCOCC1 ZINC000822585767 606078386 /nfs/dbraw/zinc/07/83/86/606078386.db2.gz MUQZXVKRCQYELW-UHFFFAOYSA-N -1 3 370.844 3.075 20 0 FGADHM Clc1ccccc1C1(CNc2ccc(-c3nn[n-]n3)nc2)CCOCC1 ZINC000822585767 606078388 /nfs/dbraw/zinc/07/83/88/606078388.db2.gz MUQZXVKRCQYELW-UHFFFAOYSA-N -1 3 370.844 3.075 20 0 FGADHM FC(F)Oc1ccc(Cl)cc1CNc1ccc(-c2nnn[n-]2)nc1 ZINC000822733247 606099794 /nfs/dbraw/zinc/09/97/94/606099794.db2.gz VGOZKNHFNGIZMP-UHFFFAOYSA-N -1 3 352.732 3.129 20 0 FGADHM FC(F)Oc1ccc(Cl)cc1CNc1ccc(-c2nn[n-]n2)nc1 ZINC000822733247 606099796 /nfs/dbraw/zinc/09/97/96/606099796.db2.gz VGOZKNHFNGIZMP-UHFFFAOYSA-N -1 3 352.732 3.129 20 0 FGADHM Cc1sc(NC(=O)CN2Cc3ccccc3[C@H]2C)c(-c2nnn[n-]2)c1C ZINC000822564255 606116651 /nfs/dbraw/zinc/11/66/51/606116651.db2.gz XQIQRSLGFTXTNK-LLVKDONJSA-N -1 3 368.466 3.060 20 0 FGADHM Cc1sc(NC(=O)CN2Cc3ccccc3[C@H]2C)c(-c2nn[n-]n2)c1C ZINC000822564255 606116652 /nfs/dbraw/zinc/11/66/52/606116652.db2.gz XQIQRSLGFTXTNK-LLVKDONJSA-N -1 3 368.466 3.060 20 0 FGADHM CN(C(=O)C/C=C\c1cccc(F)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000821569537 606126497 /nfs/dbraw/zinc/12/64/97/606126497.db2.gz NJUJVUWEHRTDAQ-HYXAFXHYSA-N -1 3 355.348 3.211 20 0 FGADHM CN(C(=O)C/C=C\c1cccc(F)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000821569537 606126499 /nfs/dbraw/zinc/12/64/99/606126499.db2.gz NJUJVUWEHRTDAQ-HYXAFXHYSA-N -1 3 355.348 3.211 20 0 FGADHM CN(C(=O)C/C=C/c1cccc(F)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000821569536 606126868 /nfs/dbraw/zinc/12/68/68/606126868.db2.gz NJUJVUWEHRTDAQ-HWKANZROSA-N -1 3 355.348 3.211 20 0 FGADHM CN(C(=O)C/C=C/c1cccc(F)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000821569536 606126870 /nfs/dbraw/zinc/12/68/70/606126870.db2.gz NJUJVUWEHRTDAQ-HWKANZROSA-N -1 3 355.348 3.211 20 0 FGADHM CC[C@H](Oc1cccc(C)c1)C(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000820938312 606140260 /nfs/dbraw/zinc/14/02/60/606140260.db2.gz IJXOSVQONYSBHY-KRWDZBQOSA-N -1 3 370.384 3.215 20 0 FGADHM CC[C@H](Oc1cccc(C)c1)C(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000820938312 606140261 /nfs/dbraw/zinc/14/02/61/606140261.db2.gz IJXOSVQONYSBHY-KRWDZBQOSA-N -1 3 370.384 3.215 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)OCCCOc1ccc(Cl)cc1 ZINC000823108378 606145117 /nfs/dbraw/zinc/14/51/17/606145117.db2.gz MKBBVEMXGBNKJY-UHFFFAOYSA-N -1 3 372.812 3.075 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)OCCCOc1ccc(Cl)cc1 ZINC000823108378 606145119 /nfs/dbraw/zinc/14/51/19/606145119.db2.gz MKBBVEMXGBNKJY-UHFFFAOYSA-N -1 3 372.812 3.075 20 0 FGADHM CC[C@H](Oc1ccccc1C)C(=O)OCc1ccc(-c2nnn[n-]2)cc1F ZINC000820939653 606148141 /nfs/dbraw/zinc/14/81/41/606148141.db2.gz WYQOMNDONHFUTQ-INIZCTEOSA-N -1 3 370.384 3.215 20 0 FGADHM CC[C@H](Oc1ccccc1C)C(=O)OCc1ccc(-c2nn[n-]n2)cc1F ZINC000820939653 606148143 /nfs/dbraw/zinc/14/81/43/606148143.db2.gz WYQOMNDONHFUTQ-INIZCTEOSA-N -1 3 370.384 3.215 20 0 FGADHM C[C@@H](NC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc(-c2cccnc2)cc1 ZINC000820397300 606149500 /nfs/dbraw/zinc/14/95/00/606149500.db2.gz NUEIOIYRUMSWIO-CQSZACIVSA-N -1 3 370.416 3.420 20 0 FGADHM C[C@@H](NC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc(-c2cccnc2)cc1 ZINC000820397300 606149502 /nfs/dbraw/zinc/14/95/02/606149502.db2.gz NUEIOIYRUMSWIO-CQSZACIVSA-N -1 3 370.416 3.420 20 0 FGADHM O=C(CNc1ccc(Cl)c(-c2nnn[n-]2)c1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000823015042 606156514 /nfs/dbraw/zinc/15/65/14/606156514.db2.gz ZSVJLALQXVMUAD-WBMJQRKESA-N -1 3 374.876 3.113 20 0 FGADHM O=C(CNc1ccc(Cl)c(-c2nn[n-]n2)c1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000823015042 606156515 /nfs/dbraw/zinc/15/65/15/606156515.db2.gz ZSVJLALQXVMUAD-WBMJQRKESA-N -1 3 374.876 3.113 20 0 FGADHM O=C(CNc1ccc(Cl)c(-c2nnn[n-]2)c1)N1CCC[C@@H]2CCCC[C@H]21 ZINC000823015039 606156541 /nfs/dbraw/zinc/15/65/41/606156541.db2.gz ZSVJLALQXVMUAD-BLLLJJGKSA-N -1 3 374.876 3.113 20 0 FGADHM O=C(CNc1ccc(Cl)c(-c2nn[n-]n2)c1)N1CCC[C@@H]2CCCC[C@H]21 ZINC000823015039 606156542 /nfs/dbraw/zinc/15/65/42/606156542.db2.gz ZSVJLALQXVMUAD-BLLLJJGKSA-N -1 3 374.876 3.113 20 0 FGADHM C[C@H]1CN(C(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C(C)(C)C1 ZINC000820741388 606167623 /nfs/dbraw/zinc/16/76/23/606167623.db2.gz CHUDLTXSFTYFRO-SECBINFHSA-N -1 3 350.879 3.337 20 0 FGADHM C[C@H]1CN(C(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C(C)(C)C1 ZINC000820741388 606167625 /nfs/dbraw/zinc/16/76/25/606167625.db2.gz CHUDLTXSFTYFRO-SECBINFHSA-N -1 3 350.879 3.337 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCSC2(CCCCC2)C1 ZINC000822217842 606194832 /nfs/dbraw/zinc/19/48/32/606194832.db2.gz PJBWXRROCSRTGM-UHFFFAOYSA-N -1 3 372.498 3.459 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCSC2(CCCCC2)C1 ZINC000822217842 606194833 /nfs/dbraw/zinc/19/48/33/606194833.db2.gz PJBWXRROCSRTGM-UHFFFAOYSA-N -1 3 372.498 3.459 20 0 FGADHM O[C@@H](C[C@@H]1CCCN1c1cccc(F)c1-c1nnn[n-]1)c1cccs1 ZINC000823672190 606201186 /nfs/dbraw/zinc/20/11/86/606201186.db2.gz CEDDIGPDVXLJEJ-FZMZJTMJSA-N -1 3 359.430 3.160 20 0 FGADHM O[C@@H](C[C@@H]1CCCN1c1cccc(F)c1-c1nn[n-]n1)c1cccs1 ZINC000823672190 606201189 /nfs/dbraw/zinc/20/11/89/606201189.db2.gz CEDDIGPDVXLJEJ-FZMZJTMJSA-N -1 3 359.430 3.160 20 0 FGADHM Cc1ccccc1Cc1noc(COc2ccc(-c3nn[n-]n3)cc2C)n1 ZINC000822361958 606202250 /nfs/dbraw/zinc/20/22/50/606202250.db2.gz LPVMICVTDITWCC-UHFFFAOYSA-N -1 3 362.393 3.036 20 0 FGADHM C[C@H](NC(=O)c1cc(-c2nnn[n-]2)cn1C)c1ccc(Cl)cc1Cl ZINC000820384849 606210291 /nfs/dbraw/zinc/21/02/91/606210291.db2.gz LXOUIJGXXAWXAO-QMMMGPOBSA-N -1 3 365.224 3.003 20 0 FGADHM C[C@H](NC(=O)c1cc(-c2nn[n-]n2)cn1C)c1ccc(Cl)cc1Cl ZINC000820384849 606210292 /nfs/dbraw/zinc/21/02/92/606210292.db2.gz LXOUIJGXXAWXAO-QMMMGPOBSA-N -1 3 365.224 3.003 20 0 FGADHM CCCCN(C(=O)c1cc(-c2nnn[n-]2)cn1C)[C@@H](C)c1ccccc1 ZINC000821061702 606222833 /nfs/dbraw/zinc/22/28/33/606222833.db2.gz SIHBWDZUSKIVEF-AWEZNQCLSA-N -1 3 352.442 3.209 20 0 FGADHM CCCCN(C(=O)c1cc(-c2nn[n-]n2)cn1C)[C@@H](C)c1ccccc1 ZINC000821061702 606222834 /nfs/dbraw/zinc/22/28/34/606222834.db2.gz SIHBWDZUSKIVEF-AWEZNQCLSA-N -1 3 352.442 3.209 20 0 FGADHM Fc1cccc(NCc2nccn2CCc2ccccc2)c1-c1nnn[n-]1 ZINC000822791392 606233308 /nfs/dbraw/zinc/23/33/08/606233308.db2.gz IPDYOEZWFAUVFP-UHFFFAOYSA-N -1 3 363.400 3.057 20 0 FGADHM Fc1cccc(NCc2nccn2CCc2ccccc2)c1-c1nn[n-]n1 ZINC000822791392 606233310 /nfs/dbraw/zinc/23/33/10/606233310.db2.gz IPDYOEZWFAUVFP-UHFFFAOYSA-N -1 3 363.400 3.057 20 0 FGADHM C[C@@]1(CNc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)CCCC[C@H]1O ZINC000820622986 606242695 /nfs/dbraw/zinc/24/26/95/606242695.db2.gz ATTVOZRAYIIJTA-HIFRSBDPSA-N -1 3 355.364 3.239 20 0 FGADHM O=C1[C@@H](Nc2cccc3ccccc32)CCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000823511184 606242857 /nfs/dbraw/zinc/24/28/57/606242857.db2.gz DKVAMXHNEZGMRR-IBGZPJMESA-N -1 3 370.416 3.237 20 0 FGADHM O=C1[C@@H](Nc2cccc3ccccc32)CCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000823511184 606242858 /nfs/dbraw/zinc/24/28/58/606242858.db2.gz DKVAMXHNEZGMRR-IBGZPJMESA-N -1 3 370.416 3.237 20 0 FGADHM Cc1ccc2nc(C3CC3)cc(C(=O)Nc3ccc(-c4nnn[n-]4)cn3)c2c1 ZINC000822280585 606247196 /nfs/dbraw/zinc/24/71/96/606247196.db2.gz SMXOIPRVNZDFIK-UHFFFAOYSA-N -1 3 371.404 3.248 20 0 FGADHM Cc1ccc2nc(C3CC3)cc(C(=O)Nc3ccc(-c4nn[n-]n4)cn3)c2c1 ZINC000822280585 606247198 /nfs/dbraw/zinc/24/71/98/606247198.db2.gz SMXOIPRVNZDFIK-UHFFFAOYSA-N -1 3 371.404 3.248 20 0 FGADHM O=C(NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1)[C@@H]1C[C@@H]1C1CC1 ZINC000823253773 606257495 /nfs/dbraw/zinc/25/74/95/606257495.db2.gz LTUUYQFTDCWHOZ-HUUCEWRRSA-N -1 3 365.462 3.258 20 0 FGADHM COc1ccccc1C(C)=CC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000821882767 606271851 /nfs/dbraw/zinc/27/18/51/606271851.db2.gz KGYJKJGBWWXTST-PKNBQFBNSA-N -1 3 353.357 3.056 20 0 FGADHM COc1ccccc1C(C)=CC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000821882767 606271852 /nfs/dbraw/zinc/27/18/52/606271852.db2.gz KGYJKJGBWWXTST-PKNBQFBNSA-N -1 3 353.357 3.056 20 0 FGADHM CC(C)(C)Cc1nc2cc(NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)ccc2o1 ZINC000819914103 606272314 /nfs/dbraw/zinc/27/23/14/606272314.db2.gz LOHKVVFYBSLOKG-UHFFFAOYSA-N -1 3 365.397 3.177 20 0 FGADHM CC(C)(C)Cc1nc2cc(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)ccc2o1 ZINC000819914103 606272316 /nfs/dbraw/zinc/27/23/16/606272316.db2.gz LOHKVVFYBSLOKG-UHFFFAOYSA-N -1 3 365.397 3.177 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CCc1ccc(C)o1 ZINC000821118495 606281429 /nfs/dbraw/zinc/28/14/29/606281429.db2.gz NXBOLSJEVJGTFP-UHFFFAOYSA-N -1 3 354.414 3.161 20 0 FGADHM COC(=O)[C@H](N[C@@H](C)c1ccc(Cl)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000821640290 606296794 /nfs/dbraw/zinc/29/67/94/606296794.db2.gz FMRJDBRGYKBZGD-MEDUHNTESA-N -1 3 371.828 3.085 20 0 FGADHM COC(=O)[C@H](N[C@@H](C)c1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000821640290 606296795 /nfs/dbraw/zinc/29/67/95/606296795.db2.gz FMRJDBRGYKBZGD-MEDUHNTESA-N -1 3 371.828 3.085 20 0 FGADHM O=C1[C@H](SCC2CCCCC2)CCN1c1sccc1-c1nnn[n-]1 ZINC000823512338 606313057 /nfs/dbraw/zinc/31/30/57/606313057.db2.gz NGLIIOFDNFRBIX-CYBMUJFWSA-N -1 3 363.512 3.347 20 0 FGADHM O=C1[C@H](SCC2CCCCC2)CCN1c1sccc1-c1nn[n-]n1 ZINC000823512338 606313059 /nfs/dbraw/zinc/31/30/59/606313059.db2.gz NGLIIOFDNFRBIX-CYBMUJFWSA-N -1 3 363.512 3.347 20 0 FGADHM O=C1[C@@H](SCC2CCCCC2)CCN1c1sccc1-c1nnn[n-]1 ZINC000823512339 606313156 /nfs/dbraw/zinc/31/31/56/606313156.db2.gz NGLIIOFDNFRBIX-ZDUSSCGKSA-N -1 3 363.512 3.347 20 0 FGADHM O=C1[C@@H](SCC2CCCCC2)CCN1c1sccc1-c1nn[n-]n1 ZINC000823512339 606313158 /nfs/dbraw/zinc/31/31/58/606313158.db2.gz NGLIIOFDNFRBIX-ZDUSSCGKSA-N -1 3 363.512 3.347 20 0 FGADHM CC(C)Cc1nc(C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000820109023 606338756 /nfs/dbraw/zinc/33/87/56/606338756.db2.gz ZPTGZPXPQWJFJJ-NSHDSACASA-N -1 3 357.439 3.440 20 0 FGADHM CC(C)Cc1nc(C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000820109023 606338758 /nfs/dbraw/zinc/33/87/58/606338758.db2.gz ZPTGZPXPQWJFJJ-NSHDSACASA-N -1 3 357.439 3.440 20 0 FGADHM C[C@H](NC(=O)N1[C@H](C)C[C@H]2CCCC[C@H]21)c1ccc(-c2nnn[n-]2)cc1 ZINC000820340207 606342178 /nfs/dbraw/zinc/34/21/78/606342178.db2.gz IKQASHLPWQOENW-DLTLXFJOSA-N -1 3 354.458 3.290 20 0 FGADHM C[C@H](NC(=O)N1[C@H](C)C[C@H]2CCCC[C@H]21)c1ccc(-c2nn[n-]n2)cc1 ZINC000820340207 606342180 /nfs/dbraw/zinc/34/21/80/606342180.db2.gz IKQASHLPWQOENW-DLTLXFJOSA-N -1 3 354.458 3.290 20 0 FGADHM Cc1ncc(C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c(C(C)C)n1 ZINC000822468068 606343336 /nfs/dbraw/zinc/34/33/36/606343336.db2.gz WTUBHNCLPNGTLQ-NSHDSACASA-N -1 3 352.398 3.007 20 0 FGADHM Cc1ncc(C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c(C(C)C)n1 ZINC000822468068 606343338 /nfs/dbraw/zinc/34/33/38/606343338.db2.gz WTUBHNCLPNGTLQ-NSHDSACASA-N -1 3 352.398 3.007 20 0 FGADHM C[C@H](Cc1cccc(F)c1)C(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820299169 606343377 /nfs/dbraw/zinc/34/33/77/606343377.db2.gz CVBYAYJZHQOPID-OLZOCXBDSA-N -1 3 354.385 3.489 20 0 FGADHM C[C@H](Cc1cccc(F)c1)C(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820299169 606343379 /nfs/dbraw/zinc/34/33/79/606343379.db2.gz CVBYAYJZHQOPID-OLZOCXBDSA-N -1 3 354.385 3.489 20 0 FGADHM C[C@H](OC(=O)COc1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820497414 606343908 /nfs/dbraw/zinc/34/39/08/606343908.db2.gz RBAQHBOXSRDODW-NSHDSACASA-N -1 3 358.785 3.203 20 0 FGADHM C[C@H](OC(=O)COc1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820497414 606343910 /nfs/dbraw/zinc/34/39/10/606343910.db2.gz RBAQHBOXSRDODW-NSHDSACASA-N -1 3 358.785 3.203 20 0 FGADHM CC(C)(NC(=O)Nc1ccc(F)cc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000819987658 606345106 /nfs/dbraw/zinc/34/51/06/606345106.db2.gz FFJHXATUKSFJRH-UHFFFAOYSA-N -1 3 358.352 3.202 20 0 FGADHM CC(C)(NC(=O)Nc1ccc(F)cc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000819987658 606345109 /nfs/dbraw/zinc/34/51/09/606345109.db2.gz FFJHXATUKSFJRH-UHFFFAOYSA-N -1 3 358.352 3.202 20 0 FGADHM CN(C(=O)Nc1ccc(F)cc1-c1nnn[n-]1)[C@H]1CCc2ccccc2C1 ZINC000821571715 606349199 /nfs/dbraw/zinc/34/91/99/606349199.db2.gz BSRJOKGZMFXSRD-HNNXBMFYSA-N -1 3 366.400 3.027 20 0 FGADHM CN(C(=O)Nc1ccc(F)cc1-c1nn[n-]n1)[C@H]1CCc2ccccc2C1 ZINC000821571715 606349201 /nfs/dbraw/zinc/34/92/01/606349201.db2.gz BSRJOKGZMFXSRD-HNNXBMFYSA-N -1 3 366.400 3.027 20 0 FGADHM Cc1ccccc1[C@H]1CCN(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000822351967 606349376 /nfs/dbraw/zinc/34/93/76/606349376.db2.gz SILHPVZYAPKDGN-ZDUSSCGKSA-N -1 3 366.400 3.336 20 0 FGADHM Cc1ccccc1[C@H]1CCN(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000822351967 606349379 /nfs/dbraw/zinc/34/93/79/606349379.db2.gz SILHPVZYAPKDGN-ZDUSSCGKSA-N -1 3 366.400 3.336 20 0 FGADHM C[C@H](CCNC(=O)Nc1ccc(F)cc1-c1nnn[n-]1)c1ccccc1 ZINC000820241137 606350338 /nfs/dbraw/zinc/35/03/38/606350338.db2.gz DVFLYQKPQWPILK-GFCCVEGCSA-N -1 3 354.389 3.321 20 0 FGADHM C[C@H](CCNC(=O)Nc1ccc(F)cc1-c1nn[n-]n1)c1ccccc1 ZINC000820241137 606350339 /nfs/dbraw/zinc/35/03/39/606350339.db2.gz DVFLYQKPQWPILK-GFCCVEGCSA-N -1 3 354.389 3.321 20 0 FGADHM CC(C)c1nn(C)c(Cl)c1C(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820206469 606350422 /nfs/dbraw/zinc/35/04/22/606350422.db2.gz MBVVNSMTLRTXDE-JTQLQIEISA-N -1 3 374.832 3.295 20 0 FGADHM CC(C)c1nn(C)c(Cl)c1C(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820206469 606350423 /nfs/dbraw/zinc/35/04/23/606350423.db2.gz MBVVNSMTLRTXDE-JTQLQIEISA-N -1 3 374.832 3.295 20 0 FGADHM C[C@H](OC(=O)c1cc(Cl)c(Cl)n1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820508747 606356603 /nfs/dbraw/zinc/35/66/03/606356603.db2.gz WWARCLRMYPXMCT-QMMMGPOBSA-N -1 3 366.208 3.430 20 0 FGADHM C[C@H](OC(=O)c1cc(Cl)c(Cl)n1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820508747 606356605 /nfs/dbraw/zinc/35/66/05/606356605.db2.gz WWARCLRMYPXMCT-QMMMGPOBSA-N -1 3 366.208 3.430 20 0 FGADHM C[C@H]1c2ccc(F)cc2CCN1C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820827684 606358561 /nfs/dbraw/zinc/35/85/61/606358561.db2.gz VUJWEMKIBKUCFV-JTQLQIEISA-N -1 3 370.363 3.296 20 0 FGADHM C[C@H]1c2ccc(F)cc2CCN1C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820827684 606358563 /nfs/dbraw/zinc/35/85/63/606358563.db2.gz VUJWEMKIBKUCFV-JTQLQIEISA-N -1 3 370.363 3.296 20 0 FGADHM Cc1nc2ccc(C(=O)O[C@@H](C)c3ccc(-c4nnn[n-]4)cc3)cc2nc1C ZINC000822459883 606358937 /nfs/dbraw/zinc/35/89/37/606358937.db2.gz ZWPDFJVHBRPUBZ-ZDUSSCGKSA-N -1 3 374.404 3.345 20 0 FGADHM Cc1nc2ccc(C(=O)O[C@@H](C)c3ccc(-c4nn[n-]n4)cc3)cc2nc1C ZINC000822459883 606358939 /nfs/dbraw/zinc/35/89/39/606358939.db2.gz ZWPDFJVHBRPUBZ-ZDUSSCGKSA-N -1 3 374.404 3.345 20 0 FGADHM CCCCOCC(=O)Oc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821071417 606361213 /nfs/dbraw/zinc/36/12/13/606361213.db2.gz DLHOSECJLAAQGS-UHFFFAOYSA-N -1 3 368.393 3.381 20 0 FGADHM CCCCOCC(=O)Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821071417 606361215 /nfs/dbraw/zinc/36/12/15/606361215.db2.gz DLHOSECJLAAQGS-UHFFFAOYSA-N -1 3 368.393 3.381 20 0 FGADHM O=C(C[C@H]1CCCO1)Oc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822945600 606361712 /nfs/dbraw/zinc/36/17/12/606361712.db2.gz LCOASQUNLKMVSJ-QGZVFWFLSA-N -1 3 366.377 3.134 20 0 FGADHM O=C(C[C@H]1CCCO1)Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822945600 606361713 /nfs/dbraw/zinc/36/17/13/606361713.db2.gz LCOASQUNLKMVSJ-QGZVFWFLSA-N -1 3 366.377 3.134 20 0 FGADHM O=C(Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)c1ccccn1 ZINC000823453993 606362299 /nfs/dbraw/zinc/36/22/99/606362299.db2.gz HXMCRPIAODZURT-UHFFFAOYSA-N -1 3 359.345 3.273 20 0 FGADHM O=C(Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)c1cccnc1 ZINC000823454304 606362630 /nfs/dbraw/zinc/36/26/30/606362630.db2.gz NCZQJUDKUJMYNL-UHFFFAOYSA-N -1 3 359.345 3.273 20 0 FGADHM CC(C)CN(C(=O)CS[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000820081574 606371607 /nfs/dbraw/zinc/37/16/07/606371607.db2.gz LQHGMVAQGSQNCE-ZDUSSCGKSA-N -1 3 359.499 3.308 20 0 FGADHM CC(C)CN(C(=O)CS[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000820081574 606371608 /nfs/dbraw/zinc/37/16/08/606371608.db2.gz LQHGMVAQGSQNCE-ZDUSSCGKSA-N -1 3 359.499 3.308 20 0 FGADHM CCS[C@H]1CCC[C@@H](NC(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000821455281 606384639 /nfs/dbraw/zinc/38/46/39/606384639.db2.gz IZWNRZWQRSDXEF-CVEARBPZSA-N -1 3 374.514 3.072 20 0 FGADHM CCS[C@H]1CCC[C@@H](NC(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821455281 606384640 /nfs/dbraw/zinc/38/46/40/606384640.db2.gz IZWNRZWQRSDXEF-CVEARBPZSA-N -1 3 374.514 3.072 20 0 FGADHM CCS[C@@H]1CCC[C@@H](NC(=S)Nc2ccccc2-c2nnn[n-]2)C1 ZINC000821456394 606392177 /nfs/dbraw/zinc/39/21/77/606392177.db2.gz PJJIOXHSIJVSOW-VXGBXAGGSA-N -1 3 362.528 3.217 20 0 FGADHM CCS[C@@H]1CCC[C@@H](NC(=S)Nc2ccccc2-c2nn[n-]n2)C1 ZINC000821456394 606392179 /nfs/dbraw/zinc/39/21/79/606392179.db2.gz PJJIOXHSIJVSOW-VXGBXAGGSA-N -1 3 362.528 3.217 20 0 FGADHM C[C@H](OC(=O)c1cc2c(cccc2F)[nH]1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820506852 606398033 /nfs/dbraw/zinc/39/80/33/606398033.db2.gz CPSUQAJWRBJHJI-JTQLQIEISA-N -1 3 351.341 3.405 20 0 FGADHM C[C@H](OC(=O)c1cc2c(cccc2F)[nH]1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820506852 606398034 /nfs/dbraw/zinc/39/80/34/606398034.db2.gz CPSUQAJWRBJHJI-JTQLQIEISA-N -1 3 351.341 3.405 20 0 FGADHM Cc1cccc2ncnc(N(Cc3ccc(-c4nnn[n-]4)cc3)C3CC3)c12 ZINC000822340643 606401673 /nfs/dbraw/zinc/40/16/73/606401673.db2.gz AMJTZVXYHHUAET-UHFFFAOYSA-N -1 3 357.421 3.287 20 0 FGADHM Cc1cccc2ncnc(N(Cc3ccc(-c4nn[n-]n4)cc3)C3CC3)c12 ZINC000822340643 606401674 /nfs/dbraw/zinc/40/16/74/606401674.db2.gz AMJTZVXYHHUAET-UHFFFAOYSA-N -1 3 357.421 3.287 20 0 FGADHM Fc1ccc(Br)c(CNCc2ccc(-c3nnn[n-]3)s2)c1 ZINC000822761349 606411280 /nfs/dbraw/zinc/41/12/80/606411280.db2.gz JRWCGDJAUZSACY-UHFFFAOYSA-N -1 3 368.235 3.120 20 0 FGADHM C[C@H]1CN(c2c(-c3nnn[n-]3)cnc3ccc(OC(F)F)cc32)C[C@@H]1C ZINC000820766192 606417480 /nfs/dbraw/zinc/41/74/80/606417480.db2.gz AKHKIXMGVQDSFB-UWVGGRQHSA-N -1 3 360.368 3.109 20 0 FGADHM C[C@H]1CN(c2c(-c3nn[n-]n3)cnc3ccc(OC(F)F)cc32)C[C@@H]1C ZINC000820766192 606417483 /nfs/dbraw/zinc/41/74/83/606417483.db2.gz AKHKIXMGVQDSFB-UWVGGRQHSA-N -1 3 360.368 3.109 20 0 FGADHM COc1ccc(OC)c([C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000821841332 606443419 /nfs/dbraw/zinc/44/34/19/606443419.db2.gz HIMGHPOKYHUEQI-MRXNPFEDSA-N -1 3 369.400 3.365 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NCc1nc2ccccc2nc1C ZINC000821413173 606449862 /nfs/dbraw/zinc/44/98/62/606449862.db2.gz WXWGTYXFBQGCLZ-UHFFFAOYSA-N -1 3 361.409 3.129 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NCc1nc2ccccc2nc1C ZINC000821413173 606449863 /nfs/dbraw/zinc/44/98/63/606449863.db2.gz WXWGTYXFBQGCLZ-UHFFFAOYSA-N -1 3 361.409 3.129 20 0 FGADHM CCCCO[C@H]1C[C@@H](OC(=O)c2cc(-c3nnn[n-]3)cs2)C1(C)C ZINC000821071893 606468715 /nfs/dbraw/zinc/46/87/15/606468715.db2.gz NGRUGRDJEDNYDM-QWHCGFSZSA-N -1 3 350.444 3.069 20 0 FGADHM CCCCO[C@H]1C[C@@H](OC(=O)c2cc(-c3nn[n-]n3)cs2)C1(C)C ZINC000821071893 606468716 /nfs/dbraw/zinc/46/87/16/606468716.db2.gz NGRUGRDJEDNYDM-QWHCGFSZSA-N -1 3 350.444 3.069 20 0 FGADHM OC[C@@H](CNc1ccc(-c2nn[n-]n2)cc1C(F)(F)F)c1ccccc1 ZINC000823706984 606478010 /nfs/dbraw/zinc/47/80/10/606478010.db2.gz TZSDHBYJNYJMLE-CYBMUJFWSA-N -1 3 363.343 3.074 20 0 FGADHM O=C(Nc1cccc(Oc2ccccn2)c1)c1cc(-c2nnn[n-]2)cs1 ZINC000823367567 606522007 /nfs/dbraw/zinc/52/20/07/606522007.db2.gz KVCKWRLYEQYYIF-UHFFFAOYSA-N -1 3 364.390 3.368 20 0 FGADHM O=C(Nc1cccc(Oc2ccccn2)c1)c1cc(-c2nn[n-]n2)cs1 ZINC000823367567 606522008 /nfs/dbraw/zinc/52/20/08/606522008.db2.gz KVCKWRLYEQYYIF-UHFFFAOYSA-N -1 3 364.390 3.368 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1ccc(-c2ccccc2)cn1 ZINC000823104545 606529925 /nfs/dbraw/zinc/52/99/25/606529925.db2.gz YZIWPQGTVVUDMQ-UHFFFAOYSA-N -1 3 356.389 3.110 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1ccc(-c2ccccc2)cn1 ZINC000823104545 606529927 /nfs/dbraw/zinc/52/99/27/606529927.db2.gz YZIWPQGTVVUDMQ-UHFFFAOYSA-N -1 3 356.389 3.110 20 0 FGADHM C[C@@H](NC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1F ZINC000821995057 606534322 /nfs/dbraw/zinc/53/43/22/606534322.db2.gz YLVHOBSPRQMMKP-LLVKDONJSA-N -1 3 372.379 3.048 20 0 FGADHM C[C@@H](NC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1F ZINC000821995057 606534324 /nfs/dbraw/zinc/53/43/24/606534324.db2.gz YLVHOBSPRQMMKP-LLVKDONJSA-N -1 3 372.379 3.048 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N(C1CC1)[C@H]1CCc2ccccc21 ZINC000823087177 606538012 /nfs/dbraw/zinc/53/80/12/606538012.db2.gz JGARDOJUBWBDOD-IBGZPJMESA-N -1 3 359.433 3.088 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N(C1CC1)[C@H]1CCc2ccccc21 ZINC000823087177 606538014 /nfs/dbraw/zinc/53/80/14/606538014.db2.gz JGARDOJUBWBDOD-IBGZPJMESA-N -1 3 359.433 3.088 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N1CCC[C@@H]1CC1CCCCC1 ZINC000823087243 606540127 /nfs/dbraw/zinc/54/01/27/606540127.db2.gz LTVLZPPYNZSPMH-GOSISDBHSA-N -1 3 353.470 3.371 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N1CCC[C@@H]1CC1CCCCC1 ZINC000823087243 606540128 /nfs/dbraw/zinc/54/01/28/606540128.db2.gz LTVLZPPYNZSPMH-GOSISDBHSA-N -1 3 353.470 3.371 20 0 FGADHM CN(CCc1cccc2ccccc21)C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821605022 606544097 /nfs/dbraw/zinc/54/40/97/606544097.db2.gz QYFZODZSCMADMC-UHFFFAOYSA-N -1 3 371.444 3.264 20 0 FGADHM CN(CCc1cccc2ccccc21)C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821605022 606544099 /nfs/dbraw/zinc/54/40/99/606544099.db2.gz QYFZODZSCMADMC-UHFFFAOYSA-N -1 3 371.444 3.264 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N[C@H](c1ccc(F)cc1)C1CCC1 ZINC000823093616 606552641 /nfs/dbraw/zinc/55/26/41/606552641.db2.gz ZCKULBLTDZHQNT-IBGZPJMESA-N -1 3 365.412 3.206 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N[C@H](c1ccc(F)cc1)C1CCC1 ZINC000823093616 606552642 /nfs/dbraw/zinc/55/26/42/606552642.db2.gz ZCKULBLTDZHQNT-IBGZPJMESA-N -1 3 365.412 3.206 20 0 FGADHM O=C(Nc1ccc(Nc2ccccc2)nc1)c1cc(-c2nnn[n-]2)cs1 ZINC000823350604 606556403 /nfs/dbraw/zinc/55/64/03/606556403.db2.gz UCPHHACPTOVTBT-UHFFFAOYSA-N -1 3 363.406 3.319 20 0 FGADHM O=C(Nc1ccc(Nc2ccccc2)nc1)c1cc(-c2nn[n-]n2)cs1 ZINC000823350604 606556404 /nfs/dbraw/zinc/55/64/04/606556404.db2.gz UCPHHACPTOVTBT-UHFFFAOYSA-N -1 3 363.406 3.319 20 0 FGADHM O=C(OCc1coc(-c2ccc(F)cc2)n1)c1cc(-c2nnn[n-]2)cs1 ZINC000823440322 606566331 /nfs/dbraw/zinc/56/63/31/606566331.db2.gz NCXWOAVTFJLDHY-UHFFFAOYSA-N -1 3 371.353 3.079 20 0 FGADHM O=C(OCc1coc(-c2ccc(F)cc2)n1)c1cc(-c2nn[n-]n2)cs1 ZINC000823440322 606566333 /nfs/dbraw/zinc/56/63/33/606566333.db2.gz NCXWOAVTFJLDHY-UHFFFAOYSA-N -1 3 371.353 3.079 20 0 FGADHM Cc1ccc(-c2cnc(COC(=O)c3cc(-c4nnn[n-]4)cs3)o2)cc1 ZINC000822214162 606568983 /nfs/dbraw/zinc/56/89/83/606568983.db2.gz RSFDYSZEBHHAID-UHFFFAOYSA-N -1 3 367.390 3.249 20 0 FGADHM Cc1ccc(-c2cnc(COC(=O)c3cc(-c4nn[n-]n4)cs3)o2)cc1 ZINC000822214162 606568984 /nfs/dbraw/zinc/56/89/84/606568984.db2.gz RSFDYSZEBHHAID-UHFFFAOYSA-N -1 3 367.390 3.249 20 0 FGADHM O=C(OCCOc1cccc2ccccc21)c1cc(-c2nnn[n-]2)cs1 ZINC000823409373 606569419 /nfs/dbraw/zinc/56/94/19/606569419.db2.gz FUJJYRVCSDOUNJ-UHFFFAOYSA-N -1 3 366.402 3.317 20 0 FGADHM O=C(OCCOc1cccc2ccccc21)c1cc(-c2nn[n-]n2)cs1 ZINC000823409373 606569421 /nfs/dbraw/zinc/56/94/21/606569421.db2.gz FUJJYRVCSDOUNJ-UHFFFAOYSA-N -1 3 366.402 3.317 20 0 FGADHM Cc1ccc([C@H]2CCCCCN2C(=O)Cc2cccc(-c3nnn[n-]3)c2)o1 ZINC000822233878 606569870 /nfs/dbraw/zinc/56/98/70/606569870.db2.gz XHMGFLJGYGUFPO-QGZVFWFLSA-N -1 3 365.437 3.455 20 0 FGADHM Cc1ccc([C@H]2CCCCCN2C(=O)Cc2cccc(-c3nn[n-]n3)c2)o1 ZINC000822233878 606569872 /nfs/dbraw/zinc/56/98/72/606569872.db2.gz XHMGFLJGYGUFPO-QGZVFWFLSA-N -1 3 365.437 3.455 20 0 FGADHM C[C@@H]1CCN(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)[C@@H]1C ZINC000820716334 606577645 /nfs/dbraw/zinc/57/76/45/606577645.db2.gz IZHOHZBJKOUOGG-RKDXNWHRSA-N -1 3 354.336 3.148 20 0 FGADHM C[C@@H]1CCN(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)[C@@H]1C ZINC000820716334 606577646 /nfs/dbraw/zinc/57/76/46/606577646.db2.gz IZHOHZBJKOUOGG-RKDXNWHRSA-N -1 3 354.336 3.148 20 0 FGADHM CCOC(=O)C[C@@H](C)SCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000821325160 606590127 /nfs/dbraw/zinc/59/01/27/606590127.db2.gz CCVQEHNOEFVARI-SECBINFHSA-N -1 3 372.397 3.043 20 0 FGADHM CCOC(=O)C[C@@H](C)SCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000821325160 606590128 /nfs/dbraw/zinc/59/01/28/606590128.db2.gz CCVQEHNOEFVARI-SECBINFHSA-N -1 3 372.397 3.043 20 0 FGADHM CCC1(C(=O)Nc2ncc(Cc3ccc(-c4nnn[n-]4)cc3)s2)CC1 ZINC000820945336 606590825 /nfs/dbraw/zinc/59/08/25/606590825.db2.gz RDAXZLZFPNTCAA-UHFFFAOYSA-N -1 3 354.439 3.043 20 0 FGADHM CCC1(C(=O)Nc2ncc(Cc3ccc(-c4nn[n-]n4)cc3)s2)CC1 ZINC000820945336 606590827 /nfs/dbraw/zinc/59/08/27/606590827.db2.gz RDAXZLZFPNTCAA-UHFFFAOYSA-N -1 3 354.439 3.043 20 0 FGADHM COc1cccc([C@H](C)CC(=O)OCc2cc(-c3nnn[n-]3)ccc2F)c1 ZINC000821858331 606603757 /nfs/dbraw/zinc/60/37/57/606603757.db2.gz FGBVZVSGPPXYIQ-GFCCVEGCSA-N -1 3 370.384 3.251 20 0 FGADHM COc1cccc([C@H](C)CC(=O)OCc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC000821858331 606603758 /nfs/dbraw/zinc/60/37/58/606603758.db2.gz FGBVZVSGPPXYIQ-GFCCVEGCSA-N -1 3 370.384 3.251 20 0 FGADHM O=C(N[C@H](C1CCCCC1)C(F)(F)F)c1sccc1-c1nnn[n-]1 ZINC000823139328 606605773 /nfs/dbraw/zinc/60/57/73/606605773.db2.gz DJAZNEQRESRXJD-LLVKDONJSA-N -1 3 359.377 3.169 20 0 FGADHM O=C(N[C@H](C1CCCCC1)C(F)(F)F)c1sccc1-c1nn[n-]n1 ZINC000823139328 606605775 /nfs/dbraw/zinc/60/57/75/606605775.db2.gz DJAZNEQRESRXJD-LLVKDONJSA-N -1 3 359.377 3.169 20 0 FGADHM CC[C@@H](C)NC(=O)[C@H](C)Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000820876726 606614727 /nfs/dbraw/zinc/61/47/27/606614727.db2.gz SUDREFLMWOLILL-KGLIPLIRSA-N -1 3 365.437 3.216 20 0 FGADHM CC[C@@H](C)NC(=O)[C@H](C)Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000820876726 606614729 /nfs/dbraw/zinc/61/47/29/606614729.db2.gz SUDREFLMWOLILL-KGLIPLIRSA-N -1 3 365.437 3.216 20 0 FGADHM CC1(C)CCC[C@H]1NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820590314 606626186 /nfs/dbraw/zinc/62/61/86/606626186.db2.gz SAHJOXOJOQRMEE-GFCCVEGCSA-N -1 3 350.879 3.385 20 0 FGADHM CC1(C)CCC[C@H]1NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820590314 606626188 /nfs/dbraw/zinc/62/61/88/606626188.db2.gz SAHJOXOJOQRMEE-GFCCVEGCSA-N -1 3 350.879 3.385 20 0 FGADHM O=C(c1ccc(-c2nnn[n-]2)cn1)N1CCCCC[C@@H]1/C=C/c1ccccc1 ZINC000823478743 606626408 /nfs/dbraw/zinc/62/64/08/606626408.db2.gz QQKIAPHSYJEKFV-NCUBBLFSSA-N -1 3 374.448 3.360 20 0 FGADHM O=C(c1ccc(-c2nn[n-]n2)cn1)N1CCCCC[C@@H]1/C=C/c1ccccc1 ZINC000823478743 606626410 /nfs/dbraw/zinc/62/64/10/606626410.db2.gz QQKIAPHSYJEKFV-NCUBBLFSSA-N -1 3 374.448 3.360 20 0 FGADHM CN(C)C(=O)[C@H](Sc1ccc(Cl)cc1-c1nnn[n-]1)c1ccccc1 ZINC000821574748 606630156 /nfs/dbraw/zinc/63/01/56/606630156.db2.gz VQTPHPMSMONBTQ-OAHLLOKOSA-N -1 3 373.869 3.442 20 0 FGADHM CN(C)C(=O)[C@H](Sc1ccc(Cl)cc1-c1nn[n-]n1)c1ccccc1 ZINC000821574748 606630158 /nfs/dbraw/zinc/63/01/58/606630158.db2.gz VQTPHPMSMONBTQ-OAHLLOKOSA-N -1 3 373.869 3.442 20 0 FGADHM CCCN(Cc1ccc(C)cc1)C(=O)CNc1cccc(-c2nnn[n-]2)c1 ZINC000821109760 606659642 /nfs/dbraw/zinc/65/96/42/606659642.db2.gz OGQOSDQQYSHBAG-UHFFFAOYSA-N -1 3 364.453 3.026 20 0 FGADHM CCCN(Cc1ccc(C)cc1)C(=O)CNc1cccc(-c2nn[n-]n2)c1 ZINC000821109760 606659643 /nfs/dbraw/zinc/65/96/43/606659643.db2.gz OGQOSDQQYSHBAG-UHFFFAOYSA-N -1 3 364.453 3.026 20 0 FGADHM O=C(N[C@H]1CCSc2ccccc21)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823162029 606663239 /nfs/dbraw/zinc/66/32/39/606663239.db2.gz SADIWQLDBNUSRK-ZDUSSCGKSA-N -1 3 373.388 3.112 20 0 FGADHM O=C(N[C@H]1CCSc2ccccc21)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823162029 606663240 /nfs/dbraw/zinc/66/32/40/606663240.db2.gz SADIWQLDBNUSRK-ZDUSSCGKSA-N -1 3 373.388 3.112 20 0 FGADHM CC(C)[C@@H](NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000820027312 606666500 /nfs/dbraw/zinc/66/65/00/606666500.db2.gz QGWBTVPSNGCPDN-MRXNPFEDSA-N -1 3 357.364 3.272 20 0 FGADHM CC(C)[C@@H](NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000820027312 606666501 /nfs/dbraw/zinc/66/65/01/606666501.db2.gz QGWBTVPSNGCPDN-MRXNPFEDSA-N -1 3 357.364 3.272 20 0 FGADHM C[C@@H](CSc1ccc(F)cc1)C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000820292802 606666912 /nfs/dbraw/zinc/66/69/12/606666912.db2.gz HJOWVSNGBQGURJ-LBPRGKRZSA-N -1 3 371.441 3.050 20 0 FGADHM C[C@@H](CSc1ccc(F)cc1)C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000820292802 606666913 /nfs/dbraw/zinc/66/69/13/606666913.db2.gz HJOWVSNGBQGURJ-LBPRGKRZSA-N -1 3 371.441 3.050 20 0 FGADHM Cc1ccccc1CN(C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)C1CC1 ZINC000822356168 606669774 /nfs/dbraw/zinc/66/97/74/606669774.db2.gz LLXPXFWJMXZTJZ-UHFFFAOYSA-N -1 3 369.375 3.258 20 0 FGADHM Cc1ccccc1CN(C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)C1CC1 ZINC000822356168 606669775 /nfs/dbraw/zinc/66/97/75/606669775.db2.gz LLXPXFWJMXZTJZ-UHFFFAOYSA-N -1 3 369.375 3.258 20 0 FGADHM O=C(C=C1CCC1)Nc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822917369 606669826 /nfs/dbraw/zinc/66/98/26/606669826.db2.gz SUBOXOIKCALTQD-UHFFFAOYSA-N -1 3 361.405 3.495 20 0 FGADHM O=C(C=C1CCC1)Nc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822917369 606669827 /nfs/dbraw/zinc/66/98/27/606669827.db2.gz SUBOXOIKCALTQD-UHFFFAOYSA-N -1 3 361.405 3.495 20 0 FGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)Cc1c(F)cccc1F ZINC000820151888 606672394 /nfs/dbraw/zinc/67/23/94/606672394.db2.gz QBRVFHCAWNWBKT-UHFFFAOYSA-N -1 3 373.363 3.113 20 0 FGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)Cc1c(F)cccc1F ZINC000820151888 606672395 /nfs/dbraw/zinc/67/23/95/606672395.db2.gz QBRVFHCAWNWBKT-UHFFFAOYSA-N -1 3 373.363 3.113 20 0 FGADHM CCc1ccc([C@@H]2CCCN2C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)o1 ZINC000821481059 606680617 /nfs/dbraw/zinc/68/06/17/606680617.db2.gz HQUMMAWZTVYBIC-AWEZNQCLSA-N -1 3 373.363 3.278 20 0 FGADHM CCc1ccc([C@@H]2CCCN2C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)o1 ZINC000821481059 606680618 /nfs/dbraw/zinc/68/06/18/606680618.db2.gz HQUMMAWZTVYBIC-AWEZNQCLSA-N -1 3 373.363 3.278 20 0 FGADHM Cc1cccc(Cl)c1OC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000822304131 606680916 /nfs/dbraw/zinc/68/09/16/606680916.db2.gz QIQBAZNWZMSCQU-UHFFFAOYSA-N -1 3 350.712 3.326 20 0 FGADHM Cc1cccc(Cl)c1OC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000822304131 606680917 /nfs/dbraw/zinc/68/09/17/606680917.db2.gz QIQBAZNWZMSCQU-UHFFFAOYSA-N -1 3 350.712 3.326 20 0 FGADHM Cc1ccc([C@@H]2CCCCN2C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)o1 ZINC000822233724 606681957 /nfs/dbraw/zinc/68/19/57/606681957.db2.gz UCXBUOXVTLSQDB-AWEZNQCLSA-N -1 3 373.363 3.414 20 0 FGADHM Cc1ccc([C@@H]2CCCCN2C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)o1 ZINC000822233724 606681958 /nfs/dbraw/zinc/68/19/58/606681958.db2.gz UCXBUOXVTLSQDB-AWEZNQCLSA-N -1 3 373.363 3.414 20 0 FGADHM CCOCCC1(CNc2nnc(CC)c(CC)c2-c2nnn[n-]2)CCCC1 ZINC000821373347 606720592 /nfs/dbraw/zinc/72/05/92/606720592.db2.gz HDLDVTYNSHANFU-UHFFFAOYSA-N -1 3 373.505 3.180 20 0 FGADHM CCOCCC1(CNc2nnc(CC)c(CC)c2-c2nn[n-]n2)CCCC1 ZINC000821373347 606720595 /nfs/dbraw/zinc/72/05/95/606720595.db2.gz HDLDVTYNSHANFU-UHFFFAOYSA-N -1 3 373.505 3.180 20 0 FGADHM Cc1ccc(CNc2ccc(-c3nn[n-]n3)cc2)c(OC[C@H]2CCOC2)c1 ZINC000822238817 606726831 /nfs/dbraw/zinc/72/68/31/606726831.db2.gz WBBYKRLRCFOJMY-HNNXBMFYSA-N -1 3 365.437 3.203 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(C)c(CC)o1 ZINC000821123264 606739217 /nfs/dbraw/zinc/73/92/17/606739217.db2.gz OVYDSXBVZPYPPN-UHFFFAOYSA-N -1 3 354.414 3.405 20 0 FGADHM CC(C)(C)c1csc(COC(=O)C=Cc2ccccc2-c2nnn[n-]2)n1 ZINC000819966123 606751713 /nfs/dbraw/zinc/75/17/13/606751713.db2.gz XCIQCSCKYZHTFY-HJWRWDBZSA-N -1 3 369.450 3.377 20 0 FGADHM CC(C)(C)c1csc(COC(=O)C=Cc2ccccc2-c2nn[n-]n2)n1 ZINC000819966123 606751714 /nfs/dbraw/zinc/75/17/14/606751714.db2.gz XCIQCSCKYZHTFY-HJWRWDBZSA-N -1 3 369.450 3.377 20 0 FGADHM Fc1cccc(N(Cc2cccs2)C[C@H]2CCCO2)c1-c1nnn[n-]1 ZINC000822791337 606757524 /nfs/dbraw/zinc/75/75/24/606757524.db2.gz HMEOFBZKCWJIMQ-GFCCVEGCSA-N -1 3 359.430 3.253 20 0 FGADHM Fc1cccc(N(Cc2cccs2)C[C@H]2CCCO2)c1-c1nn[n-]n1 ZINC000822791337 606757525 /nfs/dbraw/zinc/75/75/25/606757525.db2.gz HMEOFBZKCWJIMQ-GFCCVEGCSA-N -1 3 359.430 3.253 20 0 FGADHM Cc1ccc(Cl)c(N[C@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)c1 ZINC000822239740 606777312 /nfs/dbraw/zinc/77/73/12/606777312.db2.gz BZMFZHOTMDJXIK-LBPRGKRZSA-N -1 3 374.857 3.107 20 0 FGADHM Cc1ccc(Cl)c(N[C@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)c1 ZINC000822239740 606777316 /nfs/dbraw/zinc/77/73/16/606777316.db2.gz BZMFZHOTMDJXIK-LBPRGKRZSA-N -1 3 374.857 3.107 20 0 FGADHM Cc1ccc(-c2nnc(COc3cc(Cl)ccc3-c3nnn[n-]3)o2)cc1 ZINC000822214313 606780819 /nfs/dbraw/zinc/78/08/19/606780819.db2.gz ZREWWJSHFXYKDG-UHFFFAOYSA-N -1 3 368.784 3.458 20 0 FGADHM Cc1ccc(-c2nnc(COc3cc(Cl)ccc3-c3nn[n-]n3)o2)cc1 ZINC000822214313 606780821 /nfs/dbraw/zinc/78/08/21/606780821.db2.gz ZREWWJSHFXYKDG-UHFFFAOYSA-N -1 3 368.784 3.458 20 0 FGADHM COc1ccc(CNc2ccccc2OCC(F)F)cc1-c1nnn[n-]1 ZINC000821823757 606796735 /nfs/dbraw/zinc/79/67/35/606796735.db2.gz BYWCCQXZGFYIJD-UHFFFAOYSA-N -1 3 361.352 3.131 20 0 FGADHM COc1ccc(CNc2ccccc2OCC(F)F)cc1-c1nn[n-]n1 ZINC000821823757 606796739 /nfs/dbraw/zinc/79/67/39/606796739.db2.gz BYWCCQXZGFYIJD-UHFFFAOYSA-N -1 3 361.352 3.131 20 0 FGADHM COc1ccccc1N1CC[C@H](Nc2c(Cl)cccc2-c2nnn[n-]2)C1 ZINC000821897642 606809421 /nfs/dbraw/zinc/80/94/21/606809421.db2.gz JJFKVCYBMVPNRF-LBPRGKRZSA-N -1 3 370.844 3.220 20 0 FGADHM COc1ccccc1N1CC[C@H](Nc2c(Cl)cccc2-c2nn[n-]n2)C1 ZINC000821897642 606809424 /nfs/dbraw/zinc/80/94/24/606809424.db2.gz JJFKVCYBMVPNRF-LBPRGKRZSA-N -1 3 370.844 3.220 20 0 FGADHM CSc1cc(C)ccc1CNC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000821979108 606812600 /nfs/dbraw/zinc/81/26/00/606812600.db2.gz PNMXRHCWEQSEJT-UHFFFAOYSA-N -1 3 367.478 3.146 20 0 FGADHM CSc1cc(C)ccc1CNC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000821979108 606812602 /nfs/dbraw/zinc/81/26/02/606812602.db2.gz PNMXRHCWEQSEJT-UHFFFAOYSA-N -1 3 367.478 3.146 20 0 FGADHM CCc1nnc([C@H](C)SCCCOc2cccc(-c3nnn[n-]3)c2)o1 ZINC000821517356 606840971 /nfs/dbraw/zinc/84/09/71/606840971.db2.gz IKGPTKCFUHPRKT-NSHDSACASA-N -1 3 360.443 3.075 20 0 FGADHM CCc1nnc([C@H](C)SCCCOc2cccc(-c3nn[n-]n3)c2)o1 ZINC000821517356 606840974 /nfs/dbraw/zinc/84/09/74/606840974.db2.gz IKGPTKCFUHPRKT-NSHDSACASA-N -1 3 360.443 3.075 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1CN1CC(c2nc3ccccc3s2)C1 ZINC000822740937 606846946 /nfs/dbraw/zinc/84/69/46/606846946.db2.gz OWWBIOCZMLGGSR-UHFFFAOYSA-N -1 3 366.425 3.215 20 0 FGADHM Cc1ccc(CNC(=O)CSc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000822237535 606853781 /nfs/dbraw/zinc/85/37/81/606853781.db2.gz YEWQADQVDXNXTQ-UHFFFAOYSA-N -1 3 373.869 3.237 20 0 FGADHM Cc1ccc(CNC(=O)CSc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000822237535 606853783 /nfs/dbraw/zinc/85/37/83/606853783.db2.gz YEWQADQVDXNXTQ-UHFFFAOYSA-N -1 3 373.869 3.237 20 0 FGADHM CN(C(=O)c1cncc(-c2ccccc2)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000821574625 606862670 /nfs/dbraw/zinc/86/26/70/606862670.db2.gz PBJMIYYBQLQYQD-UHFFFAOYSA-N -1 3 356.389 3.205 20 0 FGADHM CN(C(=O)c1cncc(-c2ccccc2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000821574625 606862672 /nfs/dbraw/zinc/86/26/72/606862672.db2.gz PBJMIYYBQLQYQD-UHFFFAOYSA-N -1 3 356.389 3.205 20 0 FGADHM C[C@H]1CC[C@@H](C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)O1 ZINC000820676440 606874646 /nfs/dbraw/zinc/87/46/46/606874646.db2.gz MYKACOBIJPHSEB-SJCJKPOMSA-N -1 3 365.393 3.165 20 0 FGADHM C[C@H]1CC[C@@H](C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)O1 ZINC000820676440 606874647 /nfs/dbraw/zinc/87/46/47/606874647.db2.gz MYKACOBIJPHSEB-SJCJKPOMSA-N -1 3 365.393 3.165 20 0 FGADHM O=C(N[C@H]1CC2(CCC2)Oc2ccccc21)c1sccc1-c1nnn[n-]1 ZINC000823146252 606880048 /nfs/dbraw/zinc/88/00/48/606880048.db2.gz WGNPMJREJFSAGJ-ZDUSSCGKSA-N -1 3 367.434 3.105 20 0 FGADHM O=C(N[C@H]1CC2(CCC2)Oc2ccccc21)c1sccc1-c1nn[n-]n1 ZINC000823146252 606880049 /nfs/dbraw/zinc/88/00/49/606880049.db2.gz WGNPMJREJFSAGJ-ZDUSSCGKSA-N -1 3 367.434 3.105 20 0 FGADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1)c1cncc(-c2ccccc2)c1 ZINC000823417701 606891188 /nfs/dbraw/zinc/89/11/88/606891188.db2.gz FUBULOAHOVOUSB-UHFFFAOYSA-N -1 3 357.373 3.286 20 0 FGADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1)c1cncc(-c2ccccc2)c1 ZINC000823417701 606891190 /nfs/dbraw/zinc/89/11/90/606891190.db2.gz FUBULOAHOVOUSB-UHFFFAOYSA-N -1 3 357.373 3.286 20 0 FGADHM CCS[C@H]1CC[C@H](N(C)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000821446432 606908007 /nfs/dbraw/zinc/90/80/07/606908007.db2.gz AKUYWAQAIKJPMU-RYUDHWBXSA-N -1 3 364.450 3.144 20 0 FGADHM CCS[C@H]1CC[C@H](N(C)C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000821446432 606908008 /nfs/dbraw/zinc/90/80/08/606908008.db2.gz AKUYWAQAIKJPMU-RYUDHWBXSA-N -1 3 364.450 3.144 20 0 FGADHM CCc1nnc(N[C@H]2CCC[C@@H](C(F)(F)F)C2)c(-c2nnn[n-]2)c1CC ZINC000821528542 606918799 /nfs/dbraw/zinc/91/87/99/606918799.db2.gz OSQAHXAWJHGWKK-ZJUUUORDSA-N -1 3 369.395 3.315 20 0 FGADHM CCc1nnc(N[C@H]2CCC[C@@H](C(F)(F)F)C2)c(-c2nn[n-]n2)c1CC ZINC000821528542 606918800 /nfs/dbraw/zinc/91/88/00/606918800.db2.gz OSQAHXAWJHGWKK-ZJUUUORDSA-N -1 3 369.395 3.315 20 0 FGADHM C[C@H](OC(=O)COC/C=C\c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820497042 606924838 /nfs/dbraw/zinc/92/48/38/606924838.db2.gz OYKZPQWYFQPBCP-KKTNHOPESA-N -1 3 364.405 3.201 20 0 FGADHM C[C@H](OC(=O)COC/C=C\c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820497042 606924839 /nfs/dbraw/zinc/92/48/39/606924839.db2.gz OYKZPQWYFQPBCP-KKTNHOPESA-N -1 3 364.405 3.201 20 0 FGADHM C[C@@H]1[C@H](C)Sc2ccccc2N1C[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820819767 606929669 /nfs/dbraw/zinc/92/96/69/606929669.db2.gz KNUIBILTPWQWIL-IGCXYCKISA-N -1 3 367.478 3.289 20 0 FGADHM C[C@@H]1[C@H](C)Sc2ccccc2N1C[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820819767 606929670 /nfs/dbraw/zinc/92/96/70/606929670.db2.gz KNUIBILTPWQWIL-IGCXYCKISA-N -1 3 367.478 3.289 20 0 FGADHM C[C@H]1c2cc(F)cc(F)c2CCN1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000820820133 606950490 /nfs/dbraw/zinc/95/04/90/606950490.db2.gz NBTXKCXGJBHADK-JTQLQIEISA-N -1 3 370.363 3.296 20 0 FGADHM C[C@H]1c2cc(F)cc(F)c2CCN1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000820820133 606950491 /nfs/dbraw/zinc/95/04/91/606950491.db2.gz NBTXKCXGJBHADK-JTQLQIEISA-N -1 3 370.363 3.296 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NCc1nc(C(C)C)cs1 ZINC000822220464 606952860 /nfs/dbraw/zinc/95/28/60/606952860.db2.gz SDWGNXCVUGVUQC-UHFFFAOYSA-N -1 3 357.443 3.077 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NCc1nc(C(C)C)cs1 ZINC000822220464 606952861 /nfs/dbraw/zinc/95/28/61/606952861.db2.gz SDWGNXCVUGVUQC-UHFFFAOYSA-N -1 3 357.443 3.077 20 0 FGADHM C[C@H]1CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C[C@@H](c2ccc(F)cc2)O1 ZINC000820761316 606975927 /nfs/dbraw/zinc/97/59/27/606975927.db2.gz XAERLUXBCIDEQM-SGTLLEGYSA-N -1 3 371.391 3.107 20 0 FGADHM C[C@H]1CN(Cc2ccc(F)c(-c3nn[n-]n3)c2)C[C@@H](c2ccc(F)cc2)O1 ZINC000820761316 606975929 /nfs/dbraw/zinc/97/59/29/606975929.db2.gz XAERLUXBCIDEQM-SGTLLEGYSA-N -1 3 371.391 3.107 20 0 FGADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OCc1cccc2nsnc21 ZINC000821699152 606980153 /nfs/dbraw/zinc/98/01/53/606980153.db2.gz DUOOGNNLPODTBJ-UHFFFAOYSA-N -1 3 374.813 3.112 20 0 FGADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OCc1cccc2nsnc21 ZINC000821699152 606980154 /nfs/dbraw/zinc/98/01/54/606980154.db2.gz DUOOGNNLPODTBJ-UHFFFAOYSA-N -1 3 374.813 3.112 20 0 FGADHM Cc1cc(-c2noc(CNc3ccc(F)c(-c4nnn[n-]4)c3)n2)ccc1F ZINC000822154222 606985923 /nfs/dbraw/zinc/98/59/23/606985923.db2.gz UJQUBJWNXSHNPE-UHFFFAOYSA-N -1 3 369.335 3.115 20 0 FGADHM Cc1cc(-c2noc(CNc3ccc(F)c(-c4nn[n-]n4)c3)n2)ccc1F ZINC000822154222 606985924 /nfs/dbraw/zinc/98/59/24/606985924.db2.gz UJQUBJWNXSHNPE-UHFFFAOYSA-N -1 3 369.335 3.115 20 0 FGADHM C[C@H](CC(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1)c1cccc(F)c1 ZINC000820225076 606999675 /nfs/dbraw/zinc/99/96/75/606999675.db2.gz ACWOVMGINVDRAJ-LLVKDONJSA-N -1 3 358.348 3.382 20 0 FGADHM C[C@H](CC(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1)c1cccc(F)c1 ZINC000820225076 606999676 /nfs/dbraw/zinc/99/96/76/606999676.db2.gz ACWOVMGINVDRAJ-LLVKDONJSA-N -1 3 358.348 3.382 20 0 FGADHM C[C@H](CCOc1ccccc1)C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820248877 607001613 /nfs/dbraw/zinc/00/16/13/607001613.db2.gz OUCTXCIGKHDKLI-CYBMUJFWSA-N -1 3 370.384 3.154 20 0 FGADHM C[C@H](CCOc1ccccc1)C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820248877 607001614 /nfs/dbraw/zinc/00/16/14/607001614.db2.gz OUCTXCIGKHDKLI-CYBMUJFWSA-N -1 3 370.384 3.154 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)[C@H]1SCCc2ccccc21 ZINC000823421892 607002431 /nfs/dbraw/zinc/00/24/31/607002431.db2.gz JQEJLXBBJLHDKA-INIZCTEOSA-N -1 3 370.409 3.080 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)[C@H]1SCCc2ccccc21 ZINC000823421892 607002433 /nfs/dbraw/zinc/00/24/33/607002433.db2.gz JQEJLXBBJLHDKA-INIZCTEOSA-N -1 3 370.409 3.080 20 0 FGADHM Fc1ccc(CSc2nccc(C(F)(F)F)n2)cc1-c1nnn[n-]1 ZINC000822775373 607009361 /nfs/dbraw/zinc/00/93/61/607009361.db2.gz WVHLTPMMWJXSKF-UHFFFAOYSA-N -1 3 356.308 3.107 20 0 FGADHM Fc1ccc(CSc2nccc(C(F)(F)F)n2)cc1-c1nn[n-]n1 ZINC000822775373 607009362 /nfs/dbraw/zinc/00/93/62/607009362.db2.gz WVHLTPMMWJXSKF-UHFFFAOYSA-N -1 3 356.308 3.107 20 0 FGADHM Cc1ccc(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1-c1ncco1 ZINC000822242823 607027539 /nfs/dbraw/zinc/02/75/39/607027539.db2.gz YUGMJGUGBKXIAT-VQHVLOKHSA-N -1 3 372.388 3.482 20 0 FGADHM Cc1ccc(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1-c1ncco1 ZINC000822242823 607027540 /nfs/dbraw/zinc/02/75/40/607027540.db2.gz YUGMJGUGBKXIAT-VQHVLOKHSA-N -1 3 372.388 3.482 20 0 FGADHM CCc1cccc(C)c1NC(=O)COc1cc(-c2nnn[n-]2)ccc1C ZINC000821492922 607028917 /nfs/dbraw/zinc/02/89/17/607028917.db2.gz ZPEQXVLTGCYOJR-UHFFFAOYSA-N -1 3 351.410 3.063 20 0 FGADHM CCc1cccc(C)c1NC(=O)COc1cc(-c2nn[n-]n2)ccc1C ZINC000821492922 607028919 /nfs/dbraw/zinc/02/89/19/607028919.db2.gz ZPEQXVLTGCYOJR-UHFFFAOYSA-N -1 3 351.410 3.063 20 0 FGADHM Clc1ccc2ncc(-c3nnn[n-]3)c(N3CCOC4(CCCC4)C3)c2c1 ZINC000822582795 607031828 /nfs/dbraw/zinc/03/18/28/607031828.db2.gz WXDPXZSRCPUQOL-UHFFFAOYSA-N -1 3 370.844 3.218 20 0 FGADHM Clc1ccc2ncc(-c3nn[n-]n3)c(N3CCOC4(CCCC4)C3)c2c1 ZINC000822582795 607031829 /nfs/dbraw/zinc/03/18/29/607031829.db2.gz WXDPXZSRCPUQOL-UHFFFAOYSA-N -1 3 370.844 3.218 20 0 FGADHM CC1(C)Cc2cc(NC(=O)Nc3ccc(-c4nnn[n-]4)cc3)ccc2O1 ZINC000820607403 607036298 /nfs/dbraw/zinc/03/62/98/607036298.db2.gz SYZGQZMLMWRNNJ-UHFFFAOYSA-N -1 3 350.382 3.224 20 0 FGADHM CC1(C)Cc2cc(NC(=O)Nc3ccc(-c4nn[n-]n4)cc3)ccc2O1 ZINC000820607403 607036300 /nfs/dbraw/zinc/03/63/00/607036300.db2.gz SYZGQZMLMWRNNJ-UHFFFAOYSA-N -1 3 350.382 3.224 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(C)nc1Cl ZINC000821123731 607042988 /nfs/dbraw/zinc/04/29/88/607042988.db2.gz WPQINSXOFCNHCE-UHFFFAOYSA-N -1 3 371.832 3.298 20 0 FGADHM Brc1ccc(Oc2ncnc3ccccc32)c(-c2nnn[n-]2)c1 ZINC000819688068 607045652 /nfs/dbraw/zinc/04/56/52/607045652.db2.gz COBXVIKETHGDRM-UHFFFAOYSA-N -1 3 369.182 3.365 20 0 FGADHM Brc1ccc(Oc2ncnc3ccccc32)c(-c2nn[n-]n2)c1 ZINC000819688068 607045653 /nfs/dbraw/zinc/04/56/53/607045653.db2.gz COBXVIKETHGDRM-UHFFFAOYSA-N -1 3 369.182 3.365 20 0 FGADHM CC(C)C[C@H]1CCCN(C(=O)CSCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820067841 607052183 /nfs/dbraw/zinc/05/21/83/607052183.db2.gz MNJJFCVQMXYHTG-MRXNPFEDSA-N -1 3 373.526 3.385 20 0 FGADHM CC(C)C[C@H]1CCCN(C(=O)CSCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820067841 607052185 /nfs/dbraw/zinc/05/21/85/607052185.db2.gz MNJJFCVQMXYHTG-MRXNPFEDSA-N -1 3 373.526 3.385 20 0 FGADHM O=C(c1ccc(-c2nnn[n-]2)cc1)N1CCc2c(Cl)cc(Cl)cc2C1 ZINC000823478664 607056719 /nfs/dbraw/zinc/05/67/19/607056719.db2.gz OHINWLLEPKWMJL-UHFFFAOYSA-N -1 3 374.231 3.372 20 0 FGADHM O=C(c1ccc(-c2nn[n-]n2)cc1)N1CCc2c(Cl)cc(Cl)cc2C1 ZINC000823478664 607056721 /nfs/dbraw/zinc/05/67/21/607056721.db2.gz OHINWLLEPKWMJL-UHFFFAOYSA-N -1 3 374.231 3.372 20 0 FGADHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000823413449 607079446 /nfs/dbraw/zinc/07/94/46/607079446.db2.gz HSJKMXOBEQDAPU-MWLCHTKSSA-N -1 3 372.322 3.418 20 0 FGADHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000823413449 607079448 /nfs/dbraw/zinc/07/94/48/607079448.db2.gz HSJKMXOBEQDAPU-MWLCHTKSSA-N -1 3 372.322 3.418 20 0 FGADHM O=C(OC[C@@H]1CCCOC1)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000823396015 607081526 /nfs/dbraw/zinc/08/15/26/607081526.db2.gz COEGWCYHBDBPRR-CQSZACIVSA-N -1 3 364.405 3.117 20 0 FGADHM O=C(OC[C@@H]1CCCOC1)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000823396015 607081528 /nfs/dbraw/zinc/08/15/28/607081528.db2.gz COEGWCYHBDBPRR-CQSZACIVSA-N -1 3 364.405 3.117 20 0 FGADHM C[C@@H](CC(=O)OCc1cc(F)ccc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000820225259 607083907 /nfs/dbraw/zinc/08/39/07/607083907.db2.gz FCOVOWDZJBDZLH-NSHDSACASA-N -1 3 358.348 3.382 20 0 FGADHM C[C@@H](CC(=O)OCc1cc(F)ccc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000820225259 607083909 /nfs/dbraw/zinc/08/39/09/607083909.db2.gz FCOVOWDZJBDZLH-NSHDSACASA-N -1 3 358.348 3.382 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1N1CCC2(CC1)OCc1ccccc12 ZINC000822743766 607120149 /nfs/dbraw/zinc/12/01/49/607120149.db2.gz FPNMQFARNBXAHE-UHFFFAOYSA-N -1 3 351.385 3.032 20 0 FGADHM C[C@@H]1CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C[C@H](c2ccsc2)O1 ZINC000820759339 607122932 /nfs/dbraw/zinc/12/29/32/607122932.db2.gz JLWILNUMBYUESY-BDJLRTHQSA-N -1 3 359.430 3.029 20 0 FGADHM C[C@@H]1CN(Cc2ccc(F)c(-c3nn[n-]n3)c2)C[C@H](c2ccsc2)O1 ZINC000820759339 607122934 /nfs/dbraw/zinc/12/29/34/607122934.db2.gz JLWILNUMBYUESY-BDJLRTHQSA-N -1 3 359.430 3.029 20 0 FGADHM Clc1ccccc1-n1ccc(NCc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000822586407 607126019 /nfs/dbraw/zinc/12/60/19/607126019.db2.gz XMLQSQXXRVMIMA-UHFFFAOYSA-N -1 3 351.801 3.318 20 0 FGADHM Clc1ccccc1-n1ccc(NCc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000822586407 607126020 /nfs/dbraw/zinc/12/60/20/607126020.db2.gz XMLQSQXXRVMIMA-UHFFFAOYSA-N -1 3 351.801 3.318 20 0 FGADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N[C@@H]1CCOC2(CCCC2)C1 ZINC000822337325 607129956 /nfs/dbraw/zinc/12/99/56/607129956.db2.gz XEZGNMYLIUNCKX-CQSZACIVSA-N -1 3 364.453 3.049 20 0 FGADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N[C@@H]1CCOC2(CCCC2)C1 ZINC000822337325 607129957 /nfs/dbraw/zinc/12/99/57/607129957.db2.gz XEZGNMYLIUNCKX-CQSZACIVSA-N -1 3 364.453 3.049 20 0 FGADHM Cc1cc(COc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)nn1C ZINC000822201151 607132873 /nfs/dbraw/zinc/13/28/73/607132873.db2.gz SRJFVXFQKUTZHQ-UHFFFAOYSA-N -1 3 362.393 3.280 20 0 FGADHM Cc1cc(COc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)nn1C ZINC000822201151 607132875 /nfs/dbraw/zinc/13/28/75/607132875.db2.gz SRJFVXFQKUTZHQ-UHFFFAOYSA-N -1 3 362.393 3.280 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1CNCc1cnc(C2CCCC2)s1 ZINC000822744501 607150554 /nfs/dbraw/zinc/15/05/54/607150554.db2.gz VEAWQZRHUZAJAB-UHFFFAOYSA-N -1 3 358.446 3.410 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cccc(C)c1F ZINC000821104647 607153993 /nfs/dbraw/zinc/15/39/93/607153993.db2.gz LNKGXUOMYWLOJZ-UHFFFAOYSA-N -1 3 353.401 3.367 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cccc(C)c1F ZINC000821104647 607153995 /nfs/dbraw/zinc/15/39/95/607153995.db2.gz LNKGXUOMYWLOJZ-UHFFFAOYSA-N -1 3 353.401 3.367 20 0 FGADHM Cc1ccccc1-c1nc(COc2c(C)cc(-c3nn[n-]n3)cc2C)no1 ZINC000822344853 607158267 /nfs/dbraw/zinc/15/82/67/607158267.db2.gz BSRSOAHDVLBIAU-UHFFFAOYSA-N -1 3 362.393 3.421 20 0 FGADHM Cc1cc(Oc2ccc(-c3nnn[n-]3)cc2)ccc1NC(=O)NCCCF ZINC000822211858 607194397 /nfs/dbraw/zinc/19/43/97/607194397.db2.gz QQZCXZRGRYIQIM-UHFFFAOYSA-N -1 3 370.388 3.449 20 0 FGADHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1NC(=O)NCCCF ZINC000822211858 607194398 /nfs/dbraw/zinc/19/43/98/607194398.db2.gz QQZCXZRGRYIQIM-UHFFFAOYSA-N -1 3 370.388 3.449 20 0 FGADHM C[C@H](CNc1ccccc1)NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820281148 607195582 /nfs/dbraw/zinc/19/55/82/607195582.db2.gz SGZLGIGJPJFHFV-LLVKDONJSA-N -1 3 371.832 3.142 20 0 FGADHM C[C@H](CNc1ccccc1)NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820281148 607195583 /nfs/dbraw/zinc/19/55/83/607195583.db2.gz SGZLGIGJPJFHFV-LLVKDONJSA-N -1 3 371.832 3.142 20 0 FGADHM Cc1ccccc1OCCNC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000822366263 607195735 /nfs/dbraw/zinc/19/57/35/607195735.db2.gz FPQPPEZCCYVUQO-UHFFFAOYSA-N -1 3 372.816 3.029 20 0 FGADHM Cc1ccccc1OCCNC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822366263 607195736 /nfs/dbraw/zinc/19/57/36/607195736.db2.gz FPQPPEZCCYVUQO-UHFFFAOYSA-N -1 3 372.816 3.029 20 0 FGADHM CCO[C@@H](CCNC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)C(C)C ZINC000821350708 607200118 /nfs/dbraw/zinc/20/01/18/607200118.db2.gz BRFSSVUXPPHAPC-AWEZNQCLSA-N -1 3 366.853 3.093 20 0 FGADHM CCO[C@@H](CCNC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)C(C)C ZINC000821350708 607200119 /nfs/dbraw/zinc/20/01/19/607200119.db2.gz BRFSSVUXPPHAPC-AWEZNQCLSA-N -1 3 366.853 3.093 20 0 FGADHM C[C@@H](c1ccncc1)N(C)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820570041 607200596 /nfs/dbraw/zinc/20/05/96/607200596.db2.gz BYZYUINXWGQZJO-JTQLQIEISA-N -1 3 357.805 3.140 20 0 FGADHM C[C@@H](c1ccncc1)N(C)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820570041 607200597 /nfs/dbraw/zinc/20/05/97/607200597.db2.gz BYZYUINXWGQZJO-JTQLQIEISA-N -1 3 357.805 3.140 20 0 FGADHM Cc1cccc2c1CCN(C(=O)Nc1ccc(-c3nnn[n-]3)cc1Cl)C2 ZINC000822340878 607202794 /nfs/dbraw/zinc/20/27/94/607202794.db2.gz LFFRQHBJTVYBRK-UHFFFAOYSA-N -1 3 368.828 3.419 20 0 FGADHM Cc1cccc2c1CCN(C(=O)Nc1ccc(-c3nn[n-]n3)cc1Cl)C2 ZINC000822340878 607202795 /nfs/dbraw/zinc/20/27/95/607202795.db2.gz LFFRQHBJTVYBRK-UHFFFAOYSA-N -1 3 368.828 3.419 20 0 FGADHM O=C(NC/C=C/c1ccccc1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823182890 607204456 /nfs/dbraw/zinc/20/44/56/607204456.db2.gz PNHREXUAUHUQPZ-QPJJXVBHSA-N -1 3 354.801 3.355 20 0 FGADHM O=C(NC/C=C/c1ccccc1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823182890 607204457 /nfs/dbraw/zinc/20/44/57/607204457.db2.gz PNHREXUAUHUQPZ-QPJJXVBHSA-N -1 3 354.801 3.355 20 0 FGADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCC2)c1ccc(F)c(Cl)c1 ZINC000823387126 607236226 /nfs/dbraw/zinc/23/62/26/607236226.db2.gz DAUXSNDBQWDJDP-UHFFFAOYSA-N -1 3 363.805 3.462 20 0 FGADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCC2)c1ccc(F)c(Cl)c1 ZINC000823387126 607236227 /nfs/dbraw/zinc/23/62/27/607236227.db2.gz DAUXSNDBQWDJDP-UHFFFAOYSA-N -1 3 363.805 3.462 20 0 FGADHM CCc1cc(C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)oc1CC ZINC000821471271 607237422 /nfs/dbraw/zinc/23/74/22/607237422.db2.gz XYMHIOJWIROYQS-UHFFFAOYSA-N -1 3 356.430 3.393 20 0 FGADHM CCc1cc(C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)oc1CC ZINC000821471271 607237423 /nfs/dbraw/zinc/23/74/23/607237423.db2.gz XYMHIOJWIROYQS-UHFFFAOYSA-N -1 3 356.430 3.393 20 0 FGADHM CN(C(=O)c1ccnn1C1CCCC1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821574607 607238769 /nfs/dbraw/zinc/23/87/69/607238769.db2.gz OJBAVQQNUCWKKL-UHFFFAOYSA-N -1 3 371.832 3.108 20 0 FGADHM CN(C(=O)c1ccnn1C1CCCC1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821574607 607238770 /nfs/dbraw/zinc/23/87/70/607238770.db2.gz OJBAVQQNUCWKKL-UHFFFAOYSA-N -1 3 371.832 3.108 20 0 FGADHM Cc1cccc(OCCC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000822328755 607242521 /nfs/dbraw/zinc/24/25/21/607242521.db2.gz SIPBTZHSWMYFDT-UHFFFAOYSA-N -1 3 357.801 3.236 20 0 FGADHM Cc1cccc(OCCC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000822328755 607242522 /nfs/dbraw/zinc/24/25/22/607242522.db2.gz SIPBTZHSWMYFDT-UHFFFAOYSA-N -1 3 357.801 3.236 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)C1(c2ccccc2F)CC1 ZINC000823314170 607242694 /nfs/dbraw/zinc/24/26/94/607242694.db2.gz NGCADJLLIQUYQY-UHFFFAOYSA-N -1 3 357.776 3.330 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)C1(c2ccccc2F)CC1 ZINC000823314170 607242695 /nfs/dbraw/zinc/24/26/95/607242695.db2.gz NGCADJLLIQUYQY-UHFFFAOYSA-N -1 3 357.776 3.330 20 0 FGADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)[C@H]1CCSc2ccccc21 ZINC000823449741 607245498 /nfs/dbraw/zinc/24/54/98/607245498.db2.gz BEHXSXJMDBYJGA-LBPRGKRZSA-N -1 3 356.382 3.191 20 0 FGADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)[C@H]1CCSc2ccccc21 ZINC000823449741 607245499 /nfs/dbraw/zinc/24/54/99/607245499.db2.gz BEHXSXJMDBYJGA-LBPRGKRZSA-N -1 3 356.382 3.191 20 0 FGADHM CC(C)(C)n1nc(C(=O)Oc2ccc(-c3nnn[n-]3)cc2F)cc1C1CC1 ZINC000819976321 607245950 /nfs/dbraw/zinc/24/59/50/607245950.db2.gz UOKQDBCHCLQDIJ-UHFFFAOYSA-N -1 3 370.388 3.054 20 0 FGADHM CC(C)(C)n1nc(C(=O)Oc2ccc(-c3nn[n-]n3)cc2F)cc1C1CC1 ZINC000819976321 607245951 /nfs/dbraw/zinc/24/59/51/607245951.db2.gz UOKQDBCHCLQDIJ-UHFFFAOYSA-N -1 3 370.388 3.054 20 0 FGADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000823450330 607248340 /nfs/dbraw/zinc/24/83/40/607248340.db2.gz ONFZDCWDENZLII-VHSXEESVSA-N -1 3 358.295 3.280 20 0 FGADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000823450330 607248341 /nfs/dbraw/zinc/24/83/41/607248341.db2.gz ONFZDCWDENZLII-VHSXEESVSA-N -1 3 358.295 3.280 20 0 FGADHM Cc1ccc(N2CCCC2)c(C(=O)Oc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000822242259 607248980 /nfs/dbraw/zinc/24/89/80/607248980.db2.gz GCFPVASQLGGVTL-UHFFFAOYSA-N -1 3 367.384 3.134 20 0 FGADHM Cc1ccc(N2CCCC2)c(C(=O)Oc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000822242259 607248981 /nfs/dbraw/zinc/24/89/81/607248981.db2.gz GCFPVASQLGGVTL-UHFFFAOYSA-N -1 3 367.384 3.134 20 0 FGADHM O=C(COc1ccc2ccccc2c1)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000823041243 607249851 /nfs/dbraw/zinc/24/98/51/607249851.db2.gz VXHNQNHHZLVRLG-UHFFFAOYSA-N -1 3 364.336 3.143 20 0 FGADHM O=C(COc1ccc2ccccc2c1)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000823041243 607249852 /nfs/dbraw/zinc/24/98/52/607249852.db2.gz VXHNQNHHZLVRLG-UHFFFAOYSA-N -1 3 364.336 3.143 20 0 FGADHM Cc1cc(C)cc(C2(C(=O)Oc3ccc(-c4nnn[n-]4)cc3F)CC2)c1 ZINC000822196534 607250309 /nfs/dbraw/zinc/25/03/09/607250309.db2.gz MRMWGWDTYXPTRH-UHFFFAOYSA-N -1 3 352.369 3.260 20 0 FGADHM Cc1cc(C)cc(C2(C(=O)Oc3ccc(-c4nn[n-]n4)cc3F)CC2)c1 ZINC000822196534 607250310 /nfs/dbraw/zinc/25/03/10/607250310.db2.gz MRMWGWDTYXPTRH-UHFFFAOYSA-N -1 3 352.369 3.260 20 0 FGADHM CC[C@@H](Oc1ccccc1C)C(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000820939490 607250492 /nfs/dbraw/zinc/25/04/92/607250492.db2.gz VTCUBNRWWCGHHW-CQSZACIVSA-N -1 3 356.357 3.077 20 0 FGADHM CC[C@@H](Oc1ccccc1C)C(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000820939490 607250493 /nfs/dbraw/zinc/25/04/93/607250493.db2.gz VTCUBNRWWCGHHW-CQSZACIVSA-N -1 3 356.357 3.077 20 0 FGADHM CC[C@@H](C)OCC(=O)Oc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000825074033 607779018 /nfs/dbraw/zinc/77/90/18/607779018.db2.gz CVKZHIJXJWJNIE-CYBMUJFWSA-N -1 3 368.393 3.380 20 0 FGADHM CC[C@@H](C)OCC(=O)Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825074033 607779019 /nfs/dbraw/zinc/77/90/19/607779019.db2.gz CVKZHIJXJWJNIE-CYBMUJFWSA-N -1 3 368.393 3.380 20 0 FGADHM CCSc1ccc(CC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000825675201 607786201 /nfs/dbraw/zinc/78/62/01/607786201.db2.gz ZOIFQQGQDSMJSG-UHFFFAOYSA-N -1 3 357.414 3.299 20 0 FGADHM CCSc1ccc(CC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000825675201 607786202 /nfs/dbraw/zinc/78/62/02/607786202.db2.gz ZOIFQQGQDSMJSG-UHFFFAOYSA-N -1 3 357.414 3.299 20 0 FGADHM Cc1ccc(SCC(=O)N(C)c2ccccc2-c2nnn[n-]2)c(C)c1 ZINC000826292753 607789216 /nfs/dbraw/zinc/78/92/16/607789216.db2.gz KFVDJSXRSHUUSP-UHFFFAOYSA-N -1 3 353.451 3.239 20 0 FGADHM Cc1ccc(SCC(=O)N(C)c2ccccc2-c2nn[n-]n2)c(C)c1 ZINC000826292753 607789217 /nfs/dbraw/zinc/78/92/17/607789217.db2.gz KFVDJSXRSHUUSP-UHFFFAOYSA-N -1 3 353.451 3.239 20 0 FGADHM COc1ccc(CCC(=O)N(C)c2ccccc2-c2nnn[n-]2)cc1Cl ZINC000826191255 607790231 /nfs/dbraw/zinc/79/02/31/607790231.db2.gz AXAULWQIIZHHKD-UHFFFAOYSA-N -1 3 371.828 3.124 20 0 FGADHM COc1ccc(CCC(=O)N(C)c2ccccc2-c2nn[n-]n2)cc1Cl ZINC000826191255 607790232 /nfs/dbraw/zinc/79/02/32/607790232.db2.gz AXAULWQIIZHHKD-UHFFFAOYSA-N -1 3 371.828 3.124 20 0 FGADHM C[C@@H](NC(=O)NCC(C)(C)C1CCCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000824498140 607793735 /nfs/dbraw/zinc/79/37/35/607793735.db2.gz CFQWTPVWWLNUTM-CYBMUJFWSA-N -1 3 356.474 3.443 20 0 FGADHM C[C@@H](NC(=O)NCC(C)(C)C1CCCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000824498140 607793736 /nfs/dbraw/zinc/79/37/36/607793736.db2.gz CFQWTPVWWLNUTM-CYBMUJFWSA-N -1 3 356.474 3.443 20 0 FGADHM CCN(C(=O)c1cc2ccccc2c(OC)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825380822 607797630 /nfs/dbraw/zinc/79/76/30/607797630.db2.gz UPRPJCXWNYSIQZ-UHFFFAOYSA-N -1 3 374.404 3.090 20 0 FGADHM CCN(C(=O)c1cc2ccccc2c(OC)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825380822 607797631 /nfs/dbraw/zinc/79/76/31/607797631.db2.gz UPRPJCXWNYSIQZ-UHFFFAOYSA-N -1 3 374.404 3.090 20 0 FGADHM CCN(C(=O)[C@@H]1CCCc2sccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000825366538 607798180 /nfs/dbraw/zinc/79/81/80/607798180.db2.gz BEJRMIGTIGVART-OAHLLOKOSA-N -1 3 353.451 3.401 20 0 FGADHM CCN(C(=O)[C@@H]1CCCc2sccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000825366538 607798181 /nfs/dbraw/zinc/79/81/81/607798181.db2.gz BEJRMIGTIGVART-OAHLLOKOSA-N -1 3 353.451 3.401 20 0 FGADHM Clc1cc(-c2nnn[n-]2)cnc1N[C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000826351002 607811173 /nfs/dbraw/zinc/81/11/73/607811173.db2.gz TZAJEKNVDUVQHA-WBMJQRKESA-N -1 3 370.844 3.495 20 0 FGADHM Clc1cc(-c2nn[n-]n2)cnc1N[C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000826351002 607811174 /nfs/dbraw/zinc/81/11/74/607811174.db2.gz TZAJEKNVDUVQHA-WBMJQRKESA-N -1 3 370.844 3.495 20 0 FGADHM Cc1noc(C)c1[C@H](C)CC(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826337845 607815541 /nfs/dbraw/zinc/81/55/41/607815541.db2.gz CERGDNCKLNOEEP-MRVPVSSYSA-N -1 3 360.805 3.257 20 0 FGADHM Cc1noc(C)c1[C@H](C)CC(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826337845 607815542 /nfs/dbraw/zinc/81/55/42/607815542.db2.gz CERGDNCKLNOEEP-MRVPVSSYSA-N -1 3 360.805 3.257 20 0 FGADHM Cc1noc(C)c1[C@@H](C)CC(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000826337765 607831046 /nfs/dbraw/zinc/83/10/46/607831046.db2.gz AHPGCJJJUOBAJD-VIFPVBQESA-N -1 3 374.832 3.282 20 0 FGADHM Cc1noc(C)c1[C@@H](C)CC(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000826337765 607831047 /nfs/dbraw/zinc/83/10/47/607831047.db2.gz AHPGCJJJUOBAJD-VIFPVBQESA-N -1 3 374.832 3.282 20 0 FGADHM O=[S@@](CCSc1ccc(-c2nnn[n-]2)cc1Cl)c1ccccc1 ZINC000826496436 607845165 /nfs/dbraw/zinc/84/51/65/607845165.db2.gz WMDRVARJDOGIHT-QHCPKHFHSA-N -1 3 364.883 3.420 20 0 FGADHM O=[S@@](CCSc1ccc(-c2nn[n-]n2)cc1Cl)c1ccccc1 ZINC000826496436 607845166 /nfs/dbraw/zinc/84/51/66/607845166.db2.gz WMDRVARJDOGIHT-QHCPKHFHSA-N -1 3 364.883 3.420 20 0 FGADHM Cc1c(C(=O)NCc2cccc(-c3nnn[n-]3)c2)cccc1-c1ccccn1 ZINC000826234407 607855714 /nfs/dbraw/zinc/85/57/14/607855714.db2.gz VBJLMQDIQKYCMV-UHFFFAOYSA-N -1 3 370.416 3.167 20 0 FGADHM Cc1c(C(=O)NCc2cccc(-c3nn[n-]n3)c2)cccc1-c1ccccn1 ZINC000826234407 607855715 /nfs/dbraw/zinc/85/57/15/607855715.db2.gz VBJLMQDIQKYCMV-UHFFFAOYSA-N -1 3 370.416 3.167 20 0 FGADHM C/C=C\c1ccc(OC[C@H](O)c2ccc(-c3nnn[n-]3)cc2)c(OC)c1 ZINC000825029436 607871029 /nfs/dbraw/zinc/87/10/29/607871029.db2.gz SIUIBCLUHOKENN-QGZUEGPWSA-N -1 3 352.394 3.021 20 0 FGADHM C/C=C\c1ccc(OC[C@H](O)c2ccc(-c3nn[n-]n3)cc2)c(OC)c1 ZINC000825029436 607871030 /nfs/dbraw/zinc/87/10/30/607871030.db2.gz SIUIBCLUHOKENN-QGZUEGPWSA-N -1 3 352.394 3.021 20 0 FGADHM C[C@H]1CCN(C(=O)c2ncc(-c3nnn[n-]3)cc2Cl)[C@@H](c2ccco2)C1 ZINC000824953288 607878453 /nfs/dbraw/zinc/87/84/53/607878453.db2.gz DIEGNDJVFQNWRO-GXFFZTMASA-N -1 3 372.816 3.122 20 0 FGADHM C[C@H]1CCN(C(=O)c2ncc(-c3nn[n-]n3)cc2Cl)[C@@H](c2ccco2)C1 ZINC000824953288 607878454 /nfs/dbraw/zinc/87/84/54/607878454.db2.gz DIEGNDJVFQNWRO-GXFFZTMASA-N -1 3 372.816 3.122 20 0 FGADHM C[C@H]1CCN(C(=O)c2ncc(-c3nnn[n-]3)cc2Cl)[C@H](c2ccco2)C1 ZINC000824953287 607878521 /nfs/dbraw/zinc/87/85/21/607878521.db2.gz DIEGNDJVFQNWRO-GWCFXTLKSA-N -1 3 372.816 3.122 20 0 FGADHM C[C@H]1CCN(C(=O)c2ncc(-c3nn[n-]n3)cc2Cl)[C@H](c2ccco2)C1 ZINC000824953287 607878522 /nfs/dbraw/zinc/87/85/22/607878522.db2.gz DIEGNDJVFQNWRO-GWCFXTLKSA-N -1 3 372.816 3.122 20 0 FGADHM CC(C)[C@H](C(=O)NCc1ccc(-c2nnn[n-]2)cc1F)c1ccc(F)cc1 ZINC000824184051 607894503 /nfs/dbraw/zinc/89/45/03/607894503.db2.gz CXCXJPAWQLQCAM-KRWDZBQOSA-N -1 3 371.391 3.201 20 0 FGADHM CC(C)[C@H](C(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1ccc(F)cc1 ZINC000824184051 607894504 /nfs/dbraw/zinc/89/45/04/607894504.db2.gz CXCXJPAWQLQCAM-KRWDZBQOSA-N -1 3 371.391 3.201 20 0 FGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000826441844 607895192 /nfs/dbraw/zinc/89/51/92/607895192.db2.gz XWWRTSSOKHVENZ-VNHYZAJKSA-N -1 3 357.433 3.229 20 0 FGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000826441844 607895193 /nfs/dbraw/zinc/89/51/93/607895193.db2.gz XWWRTSSOKHVENZ-VNHYZAJKSA-N -1 3 357.433 3.229 20 0 FGADHM CC(=Cc1ccccc1Cl)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000823942796 607905104 /nfs/dbraw/zinc/90/51/04/607905104.db2.gz JMZUUPBFCGMRND-FLIBITNWSA-N -1 3 371.803 3.379 20 0 FGADHM CC(=Cc1ccccc1Cl)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000823942796 607905105 /nfs/dbraw/zinc/90/51/05/607905105.db2.gz JMZUUPBFCGMRND-FLIBITNWSA-N -1 3 371.803 3.379 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H](c1ccc(F)cc1)C(C)C ZINC000826185812 607925729 /nfs/dbraw/zinc/92/57/29/607925729.db2.gz UYJCBEOPZCFMBK-KRWDZBQOSA-N -1 3 369.400 3.393 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H](c1ccc(F)cc1)C(C)C ZINC000826185812 607925730 /nfs/dbraw/zinc/92/57/30/607925730.db2.gz UYJCBEOPZCFMBK-KRWDZBQOSA-N -1 3 369.400 3.393 20 0 FGADHM CCc1c(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cnn1CC(C)C ZINC000825687332 607928254 /nfs/dbraw/zinc/92/82/54/607928254.db2.gz GZKYAFCUNKRHDK-UHFFFAOYSA-N -1 3 373.848 3.187 20 0 FGADHM CCc1c(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cnn1CC(C)C ZINC000825687332 607928255 /nfs/dbraw/zinc/92/82/55/607928255.db2.gz GZKYAFCUNKRHDK-UHFFFAOYSA-N -1 3 373.848 3.187 20 0 FGADHM O=C(Cc1csc2ccccc12)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826424160 607949066 /nfs/dbraw/zinc/94/90/66/607949066.db2.gz YHEYVZQOOIXOPA-UHFFFAOYSA-N -1 3 361.430 3.213 20 0 FGADHM O=C(Cc1csc2ccccc12)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826424160 607949067 /nfs/dbraw/zinc/94/90/67/607949067.db2.gz YHEYVZQOOIXOPA-UHFFFAOYSA-N -1 3 361.430 3.213 20 0 FGADHM Cc1ccc([C@@H]2C[C@@H](OC(=O)c3sccc3-c3nnn[n-]3)CCO2)cc1 ZINC000826285136 607949398 /nfs/dbraw/zinc/94/93/98/607949398.db2.gz QBTQXGKANAEVMF-ZFWWWQNUSA-N -1 3 370.434 3.314 20 0 FGADHM C[C@@H](Cc1ccccc1Cl)C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000824457194 607952145 /nfs/dbraw/zinc/95/21/45/607952145.db2.gz HBCGKHSZRJASNR-LBPRGKRZSA-N -1 3 367.840 3.288 20 0 FGADHM C[C@@H](Cc1ccccc1Cl)C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000824457194 607952146 /nfs/dbraw/zinc/95/21/46/607952146.db2.gz HBCGKHSZRJASNR-LBPRGKRZSA-N -1 3 367.840 3.288 20 0 FGADHM O=C([C@@H]1C[C@]12CCCc1ccccc12)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826397551 607954410 /nfs/dbraw/zinc/95/44/10/607954410.db2.gz GIBWKUZLUNDHFB-AVRDEDQJSA-N -1 3 371.444 3.050 20 0 FGADHM O=C([C@@H]1C[C@]12CCCc1ccccc12)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826397551 607954411 /nfs/dbraw/zinc/95/44/11/607954411.db2.gz GIBWKUZLUNDHFB-AVRDEDQJSA-N -1 3 371.444 3.050 20 0 FGADHM O=C([C@H]1C[C@@]12CCCc1ccccc12)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826397554 607954458 /nfs/dbraw/zinc/95/44/58/607954458.db2.gz GIBWKUZLUNDHFB-XMSQKQJNSA-N -1 3 371.444 3.050 20 0 FGADHM O=C([C@H]1C[C@@]12CCCc1ccccc12)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826397554 607954459 /nfs/dbraw/zinc/95/44/59/607954459.db2.gz GIBWKUZLUNDHFB-XMSQKQJNSA-N -1 3 371.444 3.050 20 0 FGADHM O=C(C=Cc1ccnc(Cl)c1)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000826403469 607962817 /nfs/dbraw/zinc/96/28/17/607962817.db2.gz SYXAKRWDTUFZCP-PLNGDYQASA-N -1 3 372.841 3.117 20 0 FGADHM O=C(C=Cc1ccnc(Cl)c1)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000826403469 607962818 /nfs/dbraw/zinc/96/28/18/607962818.db2.gz SYXAKRWDTUFZCP-PLNGDYQASA-N -1 3 372.841 3.117 20 0 FGADHM O=C(N[C@@H]1C[C@H]1c1ccccc1)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000826429066 607964281 /nfs/dbraw/zinc/96/42/81/607964281.db2.gz TVDVOPUMPMQLMA-SMDDNHRTSA-N -1 3 374.231 3.459 20 0 FGADHM O=C(N[C@@H]1C[C@H]1c1ccccc1)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000826429066 607964282 /nfs/dbraw/zinc/96/42/82/607964282.db2.gz TVDVOPUMPMQLMA-SMDDNHRTSA-N -1 3 374.231 3.459 20 0 FGADHM COc1ccc(C[C@H](C)C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)cc1 ZINC000826191202 607967630 /nfs/dbraw/zinc/96/76/30/607967630.db2.gz ZVMXVUFPRVMQLX-NSHDSACASA-N -1 3 371.828 3.346 20 0 FGADHM COc1ccc(C[C@H](C)C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)cc1 ZINC000826191202 607967631 /nfs/dbraw/zinc/96/76/31/607967631.db2.gz ZVMXVUFPRVMQLX-NSHDSACASA-N -1 3 371.828 3.346 20 0 FGADHM COc1ccc(CON=C(N)c2cccc3ccccc32)cc1-c1nnn[n-]1 ZINC000826206876 607972641 /nfs/dbraw/zinc/97/26/41/607972641.db2.gz PDLKRXYAIGUPSN-UHFFFAOYSA-N -1 3 374.404 3.075 20 0 FGADHM COc1ccc(CON=C(N)c2cccc3ccccc32)cc1-c1nn[n-]n1 ZINC000826206876 607972642 /nfs/dbraw/zinc/97/26/42/607972642.db2.gz PDLKRXYAIGUPSN-UHFFFAOYSA-N -1 3 374.404 3.075 20 0 FGADHM COc1cc(C(=O)OCc2cc(-c3nnn[n-]3)ccc2F)ccc1Cl ZINC000826177609 607979547 /nfs/dbraw/zinc/97/95/47/607979547.db2.gz OOEUTVUBLGTJIH-UHFFFAOYSA-N -1 3 362.748 3.025 20 0 FGADHM COc1cc(C(=O)OCc2cc(-c3nn[n-]n3)ccc2F)ccc1Cl ZINC000826177609 607979548 /nfs/dbraw/zinc/97/95/48/607979548.db2.gz OOEUTVUBLGTJIH-UHFFFAOYSA-N -1 3 362.748 3.025 20 0 FGADHM COc1ccc(CSCc2cnc(Cl)s2)cc1-c1nnn[n-]1 ZINC000826208228 607984922 /nfs/dbraw/zinc/98/49/22/607984922.db2.gz ZWSORAGBCRMHJR-UHFFFAOYSA-N -1 3 353.860 3.419 20 0 FGADHM COc1ccc(CSCc2cnc(Cl)s2)cc1-c1nn[n-]n1 ZINC000826208228 607984923 /nfs/dbraw/zinc/98/49/23/607984923.db2.gz ZWSORAGBCRMHJR-UHFFFAOYSA-N -1 3 353.860 3.419 20 0 FGADHM Cc1oc(NC(=O)[C@H](C)N2CC=C(C(C)(C)C)CC2)c(-c2nnn[n-]2)c1C ZINC000826341746 607986574 /nfs/dbraw/zinc/98/65/74/607986574.db2.gz PBSXHCHJWXOXAI-LBPRGKRZSA-N -1 3 372.473 3.082 20 0 FGADHM Cc1oc(NC(=O)[C@H](C)N2CC=C(C(C)(C)C)CC2)c(-c2nn[n-]n2)c1C ZINC000826341746 607986575 /nfs/dbraw/zinc/98/65/75/607986575.db2.gz PBSXHCHJWXOXAI-LBPRGKRZSA-N -1 3 372.473 3.082 20 0 FGADHM COc1ccc(C[C@@H](C)C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826192021 607990120 /nfs/dbraw/zinc/99/01/20/607990120.db2.gz XGNLSHIDAIGJSZ-KGLIPLIRSA-N -1 3 366.421 3.358 20 0 FGADHM COc1ccc(C[C@@H](C)C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826192021 607990121 /nfs/dbraw/zinc/99/01/21/607990121.db2.gz XGNLSHIDAIGJSZ-KGLIPLIRSA-N -1 3 366.421 3.358 20 0 FGADHM O=C(c1scnc1C1CC1)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000826475914 608023942 /nfs/dbraw/zinc/02/39/42/608023942.db2.gz WBCGNNXBHJIMMV-UHFFFAOYSA-N -1 3 366.450 3.005 20 0 FGADHM O=C(c1scnc1C1CC1)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000826475914 608023943 /nfs/dbraw/zinc/02/39/43/608023943.db2.gz WBCGNNXBHJIMMV-UHFFFAOYSA-N -1 3 366.450 3.005 20 0 FGADHM C[C@@H](NC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)c1ccc[nH]1 ZINC000824522368 608025587 /nfs/dbraw/zinc/02/55/87/608025587.db2.gz RJWXAAMGCIVSRM-CYBMUJFWSA-N -1 3 374.404 3.478 20 0 FGADHM C[C@@H](NC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)c1ccc[nH]1 ZINC000824522368 608025588 /nfs/dbraw/zinc/02/55/88/608025588.db2.gz RJWXAAMGCIVSRM-CYBMUJFWSA-N -1 3 374.404 3.478 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)CCCc1cc(F)ccc1F ZINC000826174227 608050158 /nfs/dbraw/zinc/05/01/58/608050158.db2.gz OGUBMYXWZHPCIH-UHFFFAOYSA-N -1 3 374.347 3.082 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)CCCc1cc(F)ccc1F ZINC000826174227 608050159 /nfs/dbraw/zinc/05/01/59/608050159.db2.gz OGUBMYXWZHPCIH-UHFFFAOYSA-N -1 3 374.347 3.082 20 0 FGADHM O[C@H](CCNc1ccc(-c2nn[n-]n2)cc1Br)c1ccccc1 ZINC000826502897 608050962 /nfs/dbraw/zinc/05/09/62/608050962.db2.gz MEINLEXVXCIMME-OAHLLOKOSA-N -1 3 374.242 3.165 20 0 FGADHM C[C@H](NC(=O)N(CC(F)F)CC1CCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000824490479 608064206 /nfs/dbraw/zinc/06/42/06/608064206.db2.gz QBNKAFZQSKEGGH-NSHDSACASA-N -1 3 364.400 3.005 20 0 FGADHM C[C@H](NC(=O)N(CC(F)F)CC1CCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000824490479 608064207 /nfs/dbraw/zinc/06/42/07/608064207.db2.gz QBNKAFZQSKEGGH-NSHDSACASA-N -1 3 364.400 3.005 20 0 FGADHM Cc1ccc(Br)c(NC(=O)Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826281264 608072683 /nfs/dbraw/zinc/07/26/83/608072683.db2.gz LCNOOJJHXXQEHF-UHFFFAOYSA-N -1 3 372.226 3.119 20 0 FGADHM Cc1ccc(Br)c(NC(=O)Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826281264 608072684 /nfs/dbraw/zinc/07/26/84/608072684.db2.gz LCNOOJJHXXQEHF-UHFFFAOYSA-N -1 3 372.226 3.119 20 0 FGADHM C[C@@H](Oc1ccc(Cl)cc1F)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000824737108 608078678 /nfs/dbraw/zinc/07/86/78/608078678.db2.gz BWVKJFXFODVHEX-SECBINFHSA-N -1 3 361.764 3.065 20 0 FGADHM C[C@@H](Oc1ccc(Cl)cc1F)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000824737108 608078679 /nfs/dbraw/zinc/07/86/79/608078679.db2.gz BWVKJFXFODVHEX-SECBINFHSA-N -1 3 361.764 3.065 20 0 FGADHM c1ccc2c(c1)nc(N[C@@H]1CC[C@@H]3SCCS[C@H]13)cc2-c1nnn[n-]1 ZINC000826522756 608099102 /nfs/dbraw/zinc/09/91/02/608099102.db2.gz MUOUQELJWZIHOR-IJEWVQPXSA-N -1 3 370.507 3.206 20 0 FGADHM c1ccc2c(c1)nc(N[C@@H]1CC[C@@H]3SCCS[C@H]13)cc2-c1nn[n-]n1 ZINC000826522756 608099103 /nfs/dbraw/zinc/09/91/03/608099103.db2.gz MUOUQELJWZIHOR-IJEWVQPXSA-N -1 3 370.507 3.206 20 0 FGADHM C[C@@H](NC(=O)[C@@H](C)c1c(F)cccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000824470612 608115037 /nfs/dbraw/zinc/11/50/37/608115037.db2.gz KDBXCYIBMGDASX-WDEREUQCSA-N -1 3 357.364 3.126 20 0 FGADHM C[C@@H](NC(=O)[C@@H](C)c1c(F)cccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000824470612 608115038 /nfs/dbraw/zinc/11/50/38/608115038.db2.gz KDBXCYIBMGDASX-WDEREUQCSA-N -1 3 357.364 3.126 20 0 FGADHM C[C@H](C(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1c(F)cccc1F ZINC000824039589 608120481 /nfs/dbraw/zinc/12/04/81/608120481.db2.gz FRVKBTCGMXRUOJ-NSHDSACASA-N -1 3 369.375 3.054 20 0 FGADHM C[C@H](C(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1c(F)cccc1F ZINC000824039589 608120482 /nfs/dbraw/zinc/12/04/82/608120482.db2.gz FRVKBTCGMXRUOJ-NSHDSACASA-N -1 3 369.375 3.054 20 0 FGADHM CCCC[C@@H](CC)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OCCOC ZINC000825259978 608138357 /nfs/dbraw/zinc/13/83/57/608138357.db2.gz LUWJKWJREZQFFC-CYBMUJFWSA-N -1 3 361.446 3.047 20 0 FGADHM CCCC[C@@H](CC)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OCCOC ZINC000825259978 608138358 /nfs/dbraw/zinc/13/83/58/608138358.db2.gz LUWJKWJREZQFFC-CYBMUJFWSA-N -1 3 361.446 3.047 20 0 FGADHM c1sc(CNc2ccc(-c3n[nH]c(C4CC4)n3)cc2)cc1-c1nnn[n-]1 ZINC000826513057 608161371 /nfs/dbraw/zinc/16/13/71/608161371.db2.gz YYDIIIJEVQBYGT-UHFFFAOYSA-N -1 3 364.438 3.203 20 0 FGADHM c1sc(CNc2ccc(-c3n[nH]c(C4CC4)n3)cc2)cc1-c1nn[n-]n1 ZINC000826513057 608161372 /nfs/dbraw/zinc/16/13/72/608161372.db2.gz YYDIIIJEVQBYGT-UHFFFAOYSA-N -1 3 364.438 3.203 20 0 FGADHM Cc1cc([C@H]2CN(Cc3cc(-c4nnn[n-]4)ccc3F)CCO2)ccc1F ZINC000826266528 608172721 /nfs/dbraw/zinc/17/27/21/608172721.db2.gz ROHBGNHFRTXSPH-GOSISDBHSA-N -1 3 371.391 3.027 20 0 FGADHM Cc1cc([C@H]2CN(Cc3cc(-c4nn[n-]n4)ccc3F)CCO2)ccc1F ZINC000826266528 608172723 /nfs/dbraw/zinc/17/27/23/608172723.db2.gz ROHBGNHFRTXSPH-GOSISDBHSA-N -1 3 371.391 3.027 20 0 FGADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)C[C@H](C)CC(C)C ZINC000825787327 608175264 /nfs/dbraw/zinc/17/52/64/608175264.db2.gz BZUJFXUPKPZJRN-GFCCVEGCSA-N -1 3 355.446 3.247 20 0 FGADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)C[C@H](C)CC(C)C ZINC000825787327 608175266 /nfs/dbraw/zinc/17/52/66/608175266.db2.gz BZUJFXUPKPZJRN-GFCCVEGCSA-N -1 3 355.446 3.247 20 0 FGADHM CCO[C@H](C(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000825576907 608182634 /nfs/dbraw/zinc/18/26/34/608182634.db2.gz QDBPGYAFUCWHEL-GUYCJALGSA-N -1 3 352.394 3.249 20 0 FGADHM CCO[C@H](C(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000825576907 608182636 /nfs/dbraw/zinc/18/26/36/608182636.db2.gz QDBPGYAFUCWHEL-GUYCJALGSA-N -1 3 352.394 3.249 20 0 FGADHM C[C@@H](OC(=O)C(C)(C)Oc1ccc(F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824706021 608183169 /nfs/dbraw/zinc/18/31/69/608183169.db2.gz FUSJONUXIUXLRB-GFCCVEGCSA-N -1 3 370.384 3.468 20 0 FGADHM C[C@@H](OC(=O)C(C)(C)Oc1ccc(F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824706021 608183171 /nfs/dbraw/zinc/18/31/71/608183171.db2.gz FUSJONUXIUXLRB-GFCCVEGCSA-N -1 3 370.384 3.468 20 0 FGADHM CCc1c(C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cnn1C(C)(C)C ZINC000825686920 608185650 /nfs/dbraw/zinc/18/56/50/608185650.db2.gz BPINNSALPLWBMV-LBPRGKRZSA-N -1 3 368.441 3.299 20 0 FGADHM CCc1c(C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cnn1C(C)(C)C ZINC000825686920 608185654 /nfs/dbraw/zinc/18/56/54/608185654.db2.gz BPINNSALPLWBMV-LBPRGKRZSA-N -1 3 368.441 3.299 20 0 FGADHM CC(C)(C)[C@H](O)C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000824072238 608194654 /nfs/dbraw/zinc/19/46/54/608194654.db2.gz UPTSQAGGIFBIEP-MRXNPFEDSA-N -1 3 367.409 3.005 20 0 FGADHM CC(C)(C)[C@H](O)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000824072238 608194655 /nfs/dbraw/zinc/19/46/55/608194655.db2.gz UPTSQAGGIFBIEP-MRXNPFEDSA-N -1 3 367.409 3.005 20 0 FGADHM CC(C)CN1Cc2cccc(NC(=O)c3ccc(-c4nnn[n-]4)s3)c2C1 ZINC000824265999 608196651 /nfs/dbraw/zinc/19/66/51/608196651.db2.gz AWCAGNPRPUPOMD-UHFFFAOYSA-N -1 3 368.466 3.152 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CC[C@@H](C)C2(CCC2)C1 ZINC000825620494 608204311 /nfs/dbraw/zinc/20/43/11/608204311.db2.gz CHMHBXJUETWPLD-CYBMUJFWSA-N -1 3 370.457 3.309 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CC[C@@H](C)C2(CCC2)C1 ZINC000825620494 608204312 /nfs/dbraw/zinc/20/43/12/608204312.db2.gz CHMHBXJUETWPLD-CYBMUJFWSA-N -1 3 370.457 3.309 20 0 FGADHM CNC(=O)c1cccc(CSc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000826073141 608206416 /nfs/dbraw/zinc/20/64/16/608206416.db2.gz GPPCPAFXLFKWNE-UHFFFAOYSA-N -1 3 359.842 3.172 20 0 FGADHM CNC(=O)c1cccc(CSc2cccc(Cl)c2-c2nn[n-]n2)c1 ZINC000826073141 608206417 /nfs/dbraw/zinc/20/64/17/608206417.db2.gz GPPCPAFXLFKWNE-UHFFFAOYSA-N -1 3 359.842 3.172 20 0 FGADHM COc1cc(Br)cc(NCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826176995 608227040 /nfs/dbraw/zinc/22/70/40/608227040.db2.gz NHMUHYGDDQPCKZ-UHFFFAOYSA-N -1 3 360.215 3.250 20 0 FGADHM COc1cc(Br)cc(NCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826176995 608227041 /nfs/dbraw/zinc/22/70/41/608227041.db2.gz NHMUHYGDDQPCKZ-UHFFFAOYSA-N -1 3 360.215 3.250 20 0 FGADHM COc1ccc2c(c1)OCC[C@@H]2Nc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000826213424 608230289 /nfs/dbraw/zinc/23/02/89/608230289.db2.gz WITNSRNWUDDMBS-KRWDZBQOSA-N -1 3 374.404 3.359 20 0 FGADHM COc1ccc2c(c1)OCC[C@@H]2Nc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000826213424 608230291 /nfs/dbraw/zinc/23/02/91/608230291.db2.gz WITNSRNWUDDMBS-KRWDZBQOSA-N -1 3 374.404 3.359 20 0 FGADHM CN(C)c1cccc(CN(C)c2ccc3cc(-c4nnn[n-]4)ccc3n2)c1 ZINC000825880238 608233322 /nfs/dbraw/zinc/23/33/22/608233322.db2.gz ZYBYFRHCGFMIOG-UHFFFAOYSA-N -1 3 359.437 3.117 20 0 FGADHM CN(C)c1cccc(CN(C)c2ccc3cc(-c4nn[n-]n4)ccc3n2)c1 ZINC000825880238 608233324 /nfs/dbraw/zinc/23/33/24/608233324.db2.gz ZYBYFRHCGFMIOG-UHFFFAOYSA-N -1 3 359.437 3.117 20 0 FGADHM FC(F)Oc1ccc([C@H]2CN(c3ccc(-c4nn[n-]n4)cc3)CCO2)cc1 ZINC000826369385 608235692 /nfs/dbraw/zinc/23/56/92/608235692.db2.gz AIBJEKZKYITVOL-MRXNPFEDSA-N -1 3 373.363 3.046 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1CSc1ncnc2ccsc21 ZINC000826173883 608263217 /nfs/dbraw/zinc/26/32/17/608263217.db2.gz ZLBJZNOEZJJKHL-UHFFFAOYSA-N -1 3 356.436 3.172 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1CSc1ncnc2ccsc21 ZINC000826173883 608263219 /nfs/dbraw/zinc/26/32/19/608263219.db2.gz ZLBJZNOEZJJKHL-UHFFFAOYSA-N -1 3 356.436 3.172 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)c1ncccc1CC ZINC000825609371 608266987 /nfs/dbraw/zinc/26/69/87/608266987.db2.gz LMLQEIARDNJBEE-UHFFFAOYSA-N -1 3 373.800 3.095 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)c1ncccc1CC ZINC000825609371 608266989 /nfs/dbraw/zinc/26/69/89/608266989.db2.gz LMLQEIARDNJBEE-UHFFFAOYSA-N -1 3 373.800 3.095 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)c(N[C@@H]2CCc3c2cccc3Br)n1 ZINC000826275464 608281739 /nfs/dbraw/zinc/28/17/39/608281739.db2.gz AKXNLOFUOHZRRH-CQSZACIVSA-N -1 3 371.242 3.432 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)c(N[C@@H]2CCc3c2cccc3Br)n1 ZINC000826275464 608281741 /nfs/dbraw/zinc/28/17/41/608281741.db2.gz AKXNLOFUOHZRRH-CQSZACIVSA-N -1 3 371.242 3.432 20 0 FGADHM Cc1ccc([C@H]2OCCC[C@@H]2CNc2nc(C)ccc2-c2nnn[n-]2)cc1 ZINC000826286264 608292538 /nfs/dbraw/zinc/29/25/38/608292538.db2.gz WYUUWARMTSDGTA-SJLPKXTDSA-N -1 3 364.453 3.458 20 0 FGADHM Cc1ccc([C@H]2OCCC[C@@H]2CNc2nc(C)ccc2-c2nn[n-]n2)cc1 ZINC000826286264 608292540 /nfs/dbraw/zinc/29/25/40/608292540.db2.gz WYUUWARMTSDGTA-SJLPKXTDSA-N -1 3 364.453 3.458 20 0 FGADHM O=C(NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)[C@H]1C[C@H]1C1CC1 ZINC000826440226 608306168 /nfs/dbraw/zinc/30/61/68/608306168.db2.gz DWEVWKRVMIDPSA-OALUTQOASA-N -1 3 359.433 3.196 20 0 FGADHM O=C(NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)[C@H]1C[C@H]1C1CC1 ZINC000826440226 608306170 /nfs/dbraw/zinc/30/61/70/608306170.db2.gz DWEVWKRVMIDPSA-OALUTQOASA-N -1 3 359.433 3.196 20 0 FGADHM CC(C)c1ccc(C[C@@H](C)NC(=O)c2cc(-c3nnn[n-]3)cs2)cc1 ZINC000824457480 608314486 /nfs/dbraw/zinc/31/44/86/608314486.db2.gz NRDCZLVYMOCODY-GFCCVEGCSA-N -1 3 355.467 3.413 20 0 FGADHM CC(C)c1ccc(C[C@@H](C)NC(=O)c2cc(-c3nn[n-]n3)cs2)cc1 ZINC000824457480 608314488 /nfs/dbraw/zinc/31/44/88/608314488.db2.gz NRDCZLVYMOCODY-GFCCVEGCSA-N -1 3 355.467 3.413 20 0 FGADHM Cc1ccncc1C(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000826315115 608329641 /nfs/dbraw/zinc/32/96/41/608329641.db2.gz YRGGRXJFNLSPCI-UHFFFAOYSA-N -1 3 370.416 3.167 20 0 FGADHM Cc1ccncc1C(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000826315115 608329643 /nfs/dbraw/zinc/32/96/43/608329643.db2.gz YRGGRXJFNLSPCI-UHFFFAOYSA-N -1 3 370.416 3.167 20 0 FGADHM CS[C@@H](C)CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000826226014 608339096 /nfs/dbraw/zinc/33/90/96/608339096.db2.gz QFWGAXLAVCGORZ-VIFPVBQESA-N -1 3 351.501 3.277 20 0 FGADHM CS[C@@H](C)CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000826226014 608339098 /nfs/dbraw/zinc/33/90/98/608339098.db2.gz QFWGAXLAVCGORZ-VIFPVBQESA-N -1 3 351.501 3.277 20 0 FGADHM CCN(C(=O)[C@@H]1Cc2ccccc21)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825367176 608343659 /nfs/dbraw/zinc/34/36/59/608343659.db2.gz KJIJYODFKDQTMO-OAHLLOKOSA-N -1 3 353.813 3.213 20 0 FGADHM CCN(C(=O)[C@@H]1Cc2ccccc21)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825367176 608343661 /nfs/dbraw/zinc/34/36/61/608343661.db2.gz KJIJYODFKDQTMO-OAHLLOKOSA-N -1 3 353.813 3.213 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)[C@H](C)c1cccc(C)c1 ZINC000826170778 608359571 /nfs/dbraw/zinc/35/95/71/608359571.db2.gz PCEKDNZXHOQIGO-CYBMUJFWSA-N -1 3 352.394 3.031 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)[C@H](C)c1cccc(C)c1 ZINC000826170778 608359573 /nfs/dbraw/zinc/35/95/73/608359573.db2.gz PCEKDNZXHOQIGO-CYBMUJFWSA-N -1 3 352.394 3.031 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)[C@H](C)OC1CCCCCC1 ZINC000826170675 608363548 /nfs/dbraw/zinc/36/35/48/608363548.db2.gz KQXUXAULWREFCS-ZDUSSCGKSA-N -1 3 374.441 3.046 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)[C@H](C)OC1CCCCCC1 ZINC000826170675 608363550 /nfs/dbraw/zinc/36/35/50/608363550.db2.gz KQXUXAULWREFCS-ZDUSSCGKSA-N -1 3 374.441 3.046 20 0 FGADHM Cn1ncc2c1CCC[C@@H]2Nc1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000826366702 608366474 /nfs/dbraw/zinc/36/64/74/608366474.db2.gz UNGWHQBUAKJARZ-LBPRGKRZSA-N -1 3 363.347 3.109 20 0 FGADHM Cn1ncc2c1CCC[C@@H]2Nc1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826366702 608366476 /nfs/dbraw/zinc/36/64/76/608366476.db2.gz UNGWHQBUAKJARZ-LBPRGKRZSA-N -1 3 363.347 3.109 20 0 FGADHM Clc1cnc(Br)c(OCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826353777 608403109 /nfs/dbraw/zinc/40/31/09/608403109.db2.gz DASWHQPCDAHDQN-UHFFFAOYSA-N -1 3 366.606 3.257 20 0 FGADHM Clc1cnc(Br)c(OCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826353777 608403110 /nfs/dbraw/zinc/40/31/10/608403110.db2.gz DASWHQPCDAHDQN-UHFFFAOYSA-N -1 3 366.606 3.257 20 0 FGADHM CC1(CNC(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)CCCC1 ZINC000824823251 608407729 /nfs/dbraw/zinc/40/77/29/608407729.db2.gz KVAGAGOAJMQLAD-UHFFFAOYSA-N -1 3 366.469 3.246 20 0 FGADHM CC1(CNC(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)CCCC1 ZINC000824823251 608407731 /nfs/dbraw/zinc/40/77/31/608407731.db2.gz KVAGAGOAJMQLAD-UHFFFAOYSA-N -1 3 366.469 3.246 20 0 FGADHM CC[C@H](N[C@@H](C(=O)OC)c1ccc(-c2nnn[n-]2)cc1)c1ccc(C)cc1 ZINC000825141830 608426241 /nfs/dbraw/zinc/42/62/41/608426241.db2.gz QHSBVRDHGKYGPK-ZWKOTPCHSA-N -1 3 365.437 3.130 20 0 FGADHM CC[C@H](N[C@@H](C(=O)OC)c1ccc(-c2nn[n-]n2)cc1)c1ccc(C)cc1 ZINC000825141830 608426242 /nfs/dbraw/zinc/42/62/42/608426242.db2.gz QHSBVRDHGKYGPK-ZWKOTPCHSA-N -1 3 365.437 3.130 20 0 FGADHM CC[C@H](N[C@H](C(=O)OC)c1ccc(-c2nnn[n-]2)cc1)c1ccc(C)cc1 ZINC000825141829 608426264 /nfs/dbraw/zinc/42/62/64/608426264.db2.gz QHSBVRDHGKYGPK-ROUUACIJSA-N -1 3 365.437 3.130 20 0 FGADHM CC[C@H](N[C@H](C(=O)OC)c1ccc(-c2nn[n-]n2)cc1)c1ccc(C)cc1 ZINC000825141829 608426265 /nfs/dbraw/zinc/42/62/65/608426265.db2.gz QHSBVRDHGKYGPK-ROUUACIJSA-N -1 3 365.437 3.130 20 0 FGADHM C[C@@H](NC(=O)c1cc(F)cc2cccnc21)c1cccc(-c2nnn[n-]2)c1 ZINC000824515512 608447489 /nfs/dbraw/zinc/44/74/89/608447489.db2.gz SPOJRWWMTAPSEH-LLVKDONJSA-N -1 3 362.368 3.045 20 0 FGADHM C[C@@H](NC(=O)c1cc(F)cc2cccnc21)c1cccc(-c2nn[n-]n2)c1 ZINC000824515512 608447490 /nfs/dbraw/zinc/44/74/90/608447490.db2.gz SPOJRWWMTAPSEH-LLVKDONJSA-N -1 3 362.368 3.045 20 0 FGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000826466358 608448936 /nfs/dbraw/zinc/44/89/36/608448936.db2.gz YNEGXEWAUHLNLH-VXGBXAGGSA-N -1 3 374.322 3.131 20 0 FGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000826466358 608448938 /nfs/dbraw/zinc/44/89/38/608448938.db2.gz YNEGXEWAUHLNLH-VXGBXAGGSA-N -1 3 374.322 3.131 20 0 FGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)c1cc(F)cc(Cl)c1 ZINC000826465822 608452045 /nfs/dbraw/zinc/45/20/45/608452045.db2.gz DWHFEPBXFUIEDT-UHFFFAOYSA-N -1 3 350.712 3.155 20 0 FGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)c1cc(F)cc(Cl)c1 ZINC000826465822 608452047 /nfs/dbraw/zinc/45/20/47/608452047.db2.gz DWHFEPBXFUIEDT-UHFFFAOYSA-N -1 3 350.712 3.155 20 0 FGADHM O=C(OCc1cc(-c2nnn[n-]2)ccc1F)c1cc(F)cc2cccnc21 ZINC000826464042 608453853 /nfs/dbraw/zinc/45/38/53/608453853.db2.gz GGNNPMYCJAZOFT-UHFFFAOYSA-N -1 3 367.315 3.050 20 0 FGADHM O=C(OCc1cc(-c2nn[n-]n2)ccc1F)c1cc(F)cc2cccnc21 ZINC000826464042 608453855 /nfs/dbraw/zinc/45/38/55/608453855.db2.gz GGNNPMYCJAZOFT-UHFFFAOYSA-N -1 3 367.315 3.050 20 0 FGADHM COc1cc(C(=O)OCc2cccc(-c3nnn[n-]3)c2F)ccc1Cl ZINC000826177363 608454812 /nfs/dbraw/zinc/45/48/12/608454812.db2.gz FPXLKJZYPGDXNJ-UHFFFAOYSA-N -1 3 362.748 3.025 20 0 FGADHM COc1cc(C(=O)OCc2cccc(-c3nn[n-]n3)c2F)ccc1Cl ZINC000826177363 608454814 /nfs/dbraw/zinc/45/48/14/608454814.db2.gz FPXLKJZYPGDXNJ-UHFFFAOYSA-N -1 3 362.748 3.025 20 0 FGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)c1ccc(F)c(Cl)c1F ZINC000826466434 608457445 /nfs/dbraw/zinc/45/74/45/608457445.db2.gz CMPLZEYUGWZYOV-UHFFFAOYSA-N -1 3 368.702 3.294 20 0 FGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)c1ccc(F)c(Cl)c1F ZINC000826466434 608457446 /nfs/dbraw/zinc/45/74/46/608457446.db2.gz CMPLZEYUGWZYOV-UHFFFAOYSA-N -1 3 368.702 3.294 20 0 FGADHM CN(C(=O)c1ccccc1OC(F)(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000825833948 608459779 /nfs/dbraw/zinc/45/97/79/608459779.db2.gz OYYVABYLRFEOTK-UHFFFAOYSA-N -1 3 363.299 3.042 20 0 FGADHM CN(C(=O)c1ccccc1OC(F)(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000825833948 608459780 /nfs/dbraw/zinc/45/97/80/608459780.db2.gz OYYVABYLRFEOTK-UHFFFAOYSA-N -1 3 363.299 3.042 20 0 FGADHM Clc1ccc(CN2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)cn1 ZINC000826352391 608467580 /nfs/dbraw/zinc/46/75/80/608467580.db2.gz YWPBOENVOWXSFE-UHFFFAOYSA-N -1 3 352.829 3.204 20 0 FGADHM CC(C)n1cccc1C(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824371809 608481563 /nfs/dbraw/zinc/48/15/63/608481563.db2.gz SZCWTTGSZGJQJF-UHFFFAOYSA-N -1 3 362.437 3.179 20 0 FGADHM CC(C)n1cccc1C(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824371809 608481565 /nfs/dbraw/zinc/48/15/65/608481565.db2.gz SZCWTTGSZGJQJF-UHFFFAOYSA-N -1 3 362.437 3.179 20 0 FGADHM Cc1ccccc1CCC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826306816 608483148 /nfs/dbraw/zinc/48/31/48/608483148.db2.gz MFDZRALJMXTBMS-UHFFFAOYSA-N -1 3 373.460 3.424 20 0 FGADHM Cc1ccccc1CCC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826306816 608483150 /nfs/dbraw/zinc/48/31/50/608483150.db2.gz MFDZRALJMXTBMS-UHFFFAOYSA-N -1 3 373.460 3.424 20 0 FGADHM O=C(CCC1CCCC1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826405879 608485498 /nfs/dbraw/zinc/48/54/98/608485498.db2.gz XMNISGFXFBZIDV-UHFFFAOYSA-N -1 3 351.454 3.453 20 0 FGADHM O=C(CCC1CCCC1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826405879 608485499 /nfs/dbraw/zinc/48/54/99/608485499.db2.gz XMNISGFXFBZIDV-UHFFFAOYSA-N -1 3 351.454 3.453 20 0 FGADHM CC[C@H](OC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1ccc(OC)cc1 ZINC000825152804 608499547 /nfs/dbraw/zinc/49/95/47/608499547.db2.gz CIDYDPCEWFCTIG-KRWDZBQOSA-N -1 3 352.394 3.112 20 0 FGADHM CC[C@H](OC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1ccc(OC)cc1 ZINC000825152804 608499549 /nfs/dbraw/zinc/49/95/49/608499549.db2.gz CIDYDPCEWFCTIG-KRWDZBQOSA-N -1 3 352.394 3.112 20 0 FGADHM CC[C@@H](OC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1ccc(OC)cc1 ZINC000825154518 608499592 /nfs/dbraw/zinc/49/95/92/608499592.db2.gz PVFGMQNEVPLICN-OAHLLOKOSA-N -1 3 374.347 3.462 20 0 FGADHM CC[C@@H](OC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccc(OC)cc1 ZINC000825154518 608499594 /nfs/dbraw/zinc/49/95/94/608499594.db2.gz PVFGMQNEVPLICN-OAHLLOKOSA-N -1 3 374.347 3.462 20 0 FGADHM CCCOc1ccc(N[C@@H](C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825341816 608529806 /nfs/dbraw/zinc/52/98/06/608529806.db2.gz KVAOQUKPKSWREC-ZDUSSCGKSA-N -1 3 366.425 3.095 20 0 FGADHM CCCOc1ccc(N[C@@H](C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825341816 608529808 /nfs/dbraw/zinc/52/98/08/608529808.db2.gz KVAOQUKPKSWREC-ZDUSSCGKSA-N -1 3 366.425 3.095 20 0 FGADHM CCCCc1nc(CNC2(c3cccc(-c4nnn[n-]4)c3)CC2)cs1 ZINC000825296702 608530550 /nfs/dbraw/zinc/53/05/50/608530550.db2.gz SXZQIOPZFRYHEA-UHFFFAOYSA-N -1 3 354.483 3.445 20 0 FGADHM CCCCc1nc(CNC2(c3cccc(-c4nn[n-]n4)c3)CC2)cs1 ZINC000825296702 608530551 /nfs/dbraw/zinc/53/05/51/608530551.db2.gz SXZQIOPZFRYHEA-UHFFFAOYSA-N -1 3 354.483 3.445 20 0 FGADHM C[C@@H]1C[C@@H](C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCC3)CCC1=O ZINC000824869368 608539479 /nfs/dbraw/zinc/53/94/79/608539479.db2.gz ZTYDMJYBSHHCFI-MNOVXSKESA-N -1 3 373.482 3.141 20 0 FGADHM C[C@@H]1C[C@@H](C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCC3)CCC1=O ZINC000824869368 608539480 /nfs/dbraw/zinc/53/94/80/608539480.db2.gz ZTYDMJYBSHHCFI-MNOVXSKESA-N -1 3 373.482 3.141 20 0 FGADHM CCOc1ccc(C2=CCN(c3nc(C)ccc3-c3nnn[n-]3)CC2)cc1 ZINC000825638313 608555463 /nfs/dbraw/zinc/55/54/63/608555463.db2.gz JNDYQUNEFHHFKJ-UHFFFAOYSA-N -1 3 362.437 3.263 20 0 FGADHM CCOc1ccc(C2=CCN(c3nc(C)ccc3-c3nn[n-]n3)CC2)cc1 ZINC000825638313 608555464 /nfs/dbraw/zinc/55/54/64/608555464.db2.gz JNDYQUNEFHHFKJ-UHFFFAOYSA-N -1 3 362.437 3.263 20 0 FGADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1CCc2cc(F)ccc2C1 ZINC000826304672 608560389 /nfs/dbraw/zinc/56/03/89/608560389.db2.gz UHSACYSRYWQLRY-UHFFFAOYSA-N -1 3 360.396 3.425 20 0 FGADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N1CCc2cc(F)ccc2C1 ZINC000826304672 608560391 /nfs/dbraw/zinc/56/03/91/608560391.db2.gz UHSACYSRYWQLRY-UHFFFAOYSA-N -1 3 360.396 3.425 20 0 FGADHM O=C(Nc1ccccc1OC(F)F)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826457428 608574876 /nfs/dbraw/zinc/57/48/76/608574876.db2.gz AQQNMIPGLHBBQF-UHFFFAOYSA-N -1 3 365.727 3.374 20 0 FGADHM O=C(Nc1ccccc1OC(F)F)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826457428 608574878 /nfs/dbraw/zinc/57/48/78/608574878.db2.gz AQQNMIPGLHBBQF-UHFFFAOYSA-N -1 3 365.727 3.374 20 0 FGADHM O=C(Nc1cc(Cl)c(Cl)cn1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826451770 608577164 /nfs/dbraw/zinc/57/71/64/608577164.db2.gz VWWLQYCOWYWXOZ-UHFFFAOYSA-N -1 3 369.599 3.474 20 0 FGADHM O=C(Nc1cc(Cl)c(Cl)cn1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826451770 608577166 /nfs/dbraw/zinc/57/71/66/608577166.db2.gz VWWLQYCOWYWXOZ-UHFFFAOYSA-N -1 3 369.599 3.474 20 0 FGADHM CC[C@@H](C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(OC)cc1 ZINC000825039551 608587107 /nfs/dbraw/zinc/58/71/07/608587107.db2.gz TXMWHLCHKFXJHS-CQSZACIVSA-N -1 3 355.373 3.147 20 0 FGADHM CC[C@@H](C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(OC)cc1 ZINC000825039551 608587109 /nfs/dbraw/zinc/58/71/09/608587109.db2.gz TXMWHLCHKFXJHS-CQSZACIVSA-N -1 3 355.373 3.147 20 0 FGADHM CCCOc1ccc(NC(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825339008 608614683 /nfs/dbraw/zinc/61/46/83/608614683.db2.gz LULMEDDQDGFSRT-UHFFFAOYSA-N -1 3 366.425 3.319 20 0 FGADHM CCCOc1ccc(NC(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825339008 608614684 /nfs/dbraw/zinc/61/46/84/608614684.db2.gz LULMEDDQDGFSRT-UHFFFAOYSA-N -1 3 366.425 3.319 20 0 FGADHM CCCN(Cc1cc(-c2nnn[n-]2)cs1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000825313744 608657943 /nfs/dbraw/zinc/65/79/43/608657943.db2.gz QAZPDCVAAQUUFD-ZDUSSCGKSA-N -1 3 370.482 3.167 20 0 FGADHM CCCN(Cc1cc(-c2nn[n-]n2)cs1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000825313744 608657944 /nfs/dbraw/zinc/65/79/44/608657944.db2.gz QAZPDCVAAQUUFD-ZDUSSCGKSA-N -1 3 370.482 3.167 20 0 FGADHM Fc1c(CSc2nnc(-c3cccs3)o2)cccc1-c1nnn[n-]1 ZINC000826371678 608670090 /nfs/dbraw/zinc/67/00/90/608670090.db2.gz PTBITTCQANRCQR-UHFFFAOYSA-N -1 3 360.399 3.410 20 0 FGADHM Fc1c(CSc2nnc(-c3cccs3)o2)cccc1-c1nn[n-]n1 ZINC000826371678 608670091 /nfs/dbraw/zinc/67/00/91/608670091.db2.gz PTBITTCQANRCQR-UHFFFAOYSA-N -1 3 360.399 3.410 20 0 FGADHM Cc1ccccc1[C@@H]1CN(Cc2cc(-c3nnn[n-]3)cs2)[C@H](C)CO1 ZINC000826307238 608721990 /nfs/dbraw/zinc/72/19/90/608721990.db2.gz ZPWYLLZWABQHOZ-DYVFJYSZSA-N -1 3 355.467 3.199 20 0 FGADHM Cc1ccccc1[C@@H]1CN(Cc2cc(-c3nn[n-]n3)cs2)[C@H](C)CO1 ZINC000826307238 608721991 /nfs/dbraw/zinc/72/19/91/608721991.db2.gz ZPWYLLZWABQHOZ-DYVFJYSZSA-N -1 3 355.467 3.199 20 0 FGADHM CCc1ccc(NC(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000825712206 608764522 /nfs/dbraw/zinc/76/45/22/608764522.db2.gz NFMHFXLBHDNNFG-CYBMUJFWSA-N -1 3 351.410 3.144 20 0 FGADHM Cc1nc(-c2ccc(CNc3cnccc3-c3nnn[n-]3)s2)cs1 ZINC000826322168 608768914 /nfs/dbraw/zinc/76/89/14/608768914.db2.gz AWFPQKRATUCMJE-UHFFFAOYSA-N -1 3 355.452 3.367 20 0 FGADHM Cc1nc(-c2ccc(CNc3cnccc3-c3nn[n-]n3)s2)cs1 ZINC000826322168 608768916 /nfs/dbraw/zinc/76/89/16/608768916.db2.gz AWFPQKRATUCMJE-UHFFFAOYSA-N -1 3 355.452 3.367 20 0 FGADHM CC(C)(C)OC(=O)C1CCC(Nc2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000824094342 608800374 /nfs/dbraw/zinc/80/03/74/608800374.db2.gz RTMVZZNMESOJSR-UHFFFAOYSA-N -1 3 361.421 3.318 20 0 FGADHM CC(C)(C)OC(=O)C1CCC(Nc2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000824094342 608800375 /nfs/dbraw/zinc/80/03/75/608800375.db2.gz RTMVZZNMESOJSR-UHFFFAOYSA-N -1 3 361.421 3.318 20 0 FGADHM CCc1ccc(NC(=O)NCc2ccc(OC)c(-c3nnn[n-]3)c2)cc1C ZINC000825711848 608820297 /nfs/dbraw/zinc/82/02/97/608820297.db2.gz HGGILLYQWKLQHX-UHFFFAOYSA-N -1 3 366.425 3.068 20 0 FGADHM CCc1ccc(NC(=O)NCc2ccc(OC)c(-c3nn[n-]n3)c2)cc1C ZINC000825711848 608820300 /nfs/dbraw/zinc/82/03/00/608820300.db2.gz HGGILLYQWKLQHX-UHFFFAOYSA-N -1 3 366.425 3.068 20 0 FGADHM O=C(O[C@H](c1nccs1)c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826461686 608823498 /nfs/dbraw/zinc/82/34/98/608823498.db2.gz DBIOGRNUJJVHAL-HNNXBMFYSA-N -1 3 363.402 3.270 20 0 FGADHM O=C(O[C@H](c1nccs1)c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826461686 608823500 /nfs/dbraw/zinc/82/35/00/608823500.db2.gz DBIOGRNUJJVHAL-HNNXBMFYSA-N -1 3 363.402 3.270 20 0 FGADHM Fc1ccc(Cl)cc1CN1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826374659 608854577 /nfs/dbraw/zinc/85/45/77/608854577.db2.gz IFIPDRNUQXONHC-QGZVFWFLSA-N -1 3 373.819 3.233 20 0 FGADHM Fc1ccc(Cl)cc1CN1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826374659 608854578 /nfs/dbraw/zinc/85/45/78/608854578.db2.gz IFIPDRNUQXONHC-QGZVFWFLSA-N -1 3 373.819 3.233 20 0 FGADHM Cc1ccncc1[C@H](C)NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826315059 608883706 /nfs/dbraw/zinc/88/37/06/608883706.db2.gz XILQAEOHLUTJJE-JTQLQIEISA-N -1 3 373.873 3.271 20 0 FGADHM Cc1ccncc1[C@H](C)NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826315059 608883708 /nfs/dbraw/zinc/88/37/08/608883708.db2.gz XILQAEOHLUTJJE-JTQLQIEISA-N -1 3 373.873 3.271 20 0 FGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1)c1ccc([C@H]2CCCOC2)cc1 ZINC000826466374 609136935 /nfs/dbraw/zinc/13/69/35/609136935.db2.gz ZDWYPKMAGFLNTF-SFHVURJKSA-N -1 3 364.405 3.118 20 0 FGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1)c1ccc([C@H]2CCCOC2)cc1 ZINC000826466374 609136937 /nfs/dbraw/zinc/13/69/37/609136937.db2.gz ZDWYPKMAGFLNTF-SFHVURJKSA-N -1 3 364.405 3.118 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H]1CCO[C@H](CCC)C1 ZINC000825332305 609156058 /nfs/dbraw/zinc/15/60/58/609156058.db2.gz GRPWQMQDLAXANV-LSDHHAIUSA-N -1 3 372.473 3.222 20 0 FGADHM C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000824906943 609158018 /nfs/dbraw/zinc/15/80/18/609158018.db2.gz FSRYMUKRYJVANT-BDAKNGLRSA-N -1 3 372.326 3.201 20 0 FGADHM C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000824906943 609158019 /nfs/dbraw/zinc/15/80/19/609158019.db2.gz FSRYMUKRYJVANT-BDAKNGLRSA-N -1 3 372.326 3.201 20 0 FGADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)[C@@H]2CCCS2)c1-c1nnn[n-]1 ZINC000826233563 609168443 /nfs/dbraw/zinc/16/84/43/609168443.db2.gz MHJUTSRRBIYXDY-AWEZNQCLSA-N -1 3 368.466 3.108 20 0 FGADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)[C@@H]2CCCS2)c1-c1nn[n-]n1 ZINC000826233563 609168445 /nfs/dbraw/zinc/16/84/45/609168445.db2.gz MHJUTSRRBIYXDY-AWEZNQCLSA-N -1 3 368.466 3.108 20 0 FGADHM CN(Cc1cc(F)c(F)c(F)c1)c1c(-c2nnn[n-]2)cnc2ccccc21 ZINC000825953698 609171503 /nfs/dbraw/zinc/17/15/03/609171503.db2.gz LXBJCIKTQBHFJE-UHFFFAOYSA-N -1 3 370.338 3.469 20 0 FGADHM CN(Cc1cc(F)c(F)c(F)c1)c1c(-c2nn[n-]n2)cnc2ccccc21 ZINC000825953698 609171505 /nfs/dbraw/zinc/17/15/05/609171505.db2.gz LXBJCIKTQBHFJE-UHFFFAOYSA-N -1 3 370.338 3.469 20 0 FGADHM COCCOc1cccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC000826163274 609176107 /nfs/dbraw/zinc/17/61/07/609176107.db2.gz MTDMJLLXXFHJBZ-LBPRGKRZSA-N -1 3 357.389 3.204 20 0 FGADHM COCCOc1cccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC000826163274 609176108 /nfs/dbraw/zinc/17/61/08/609176108.db2.gz MTDMJLLXXFHJBZ-LBPRGKRZSA-N -1 3 357.389 3.204 20 0 FGADHM CCNc1ccc(-c2nn[n-]n2)cc1NCc1nccn1Cc1ccccc1 ZINC000825480746 609179205 /nfs/dbraw/zinc/17/92/05/609179205.db2.gz IUKOUYDJARUBPX-UHFFFAOYSA-N -1 3 374.452 3.155 20 0 FGADHM O=C(NCCC(c1ccccc1)c1ccccc1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826435915 609190030 /nfs/dbraw/zinc/19/00/30/609190030.db2.gz BPZJNAFXSKNUEW-UHFFFAOYSA-N -1 3 372.432 3.147 20 0 FGADHM O=C(NCCC(c1ccccc1)c1ccccc1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826435915 609190032 /nfs/dbraw/zinc/19/00/32/609190032.db2.gz BPZJNAFXSKNUEW-UHFFFAOYSA-N -1 3 372.432 3.147 20 0 FGADHM Cc1cccc(-c2cccc(CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)c2)c1 ZINC000826295683 609206998 /nfs/dbraw/zinc/20/69/98/609206998.db2.gz STZWLFNTCHSKRJ-UHFFFAOYSA-N -1 3 358.405 3.100 20 0 FGADHM Cc1cccc(-c2cccc(CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)c2)c1 ZINC000826295683 609206999 /nfs/dbraw/zinc/20/69/99/609206999.db2.gz STZWLFNTCHSKRJ-UHFFFAOYSA-N -1 3 358.405 3.100 20 0 FGADHM Cc1cccc([C@@H]2CCCCN2C(=O)c2c[nH]c(-c3nnn[n-]3)c2)c1C ZINC000826298026 609220530 /nfs/dbraw/zinc/22/05/30/609220530.db2.gz ZQVVCRVQZWZESH-KRWDZBQOSA-N -1 3 350.426 3.179 20 0 FGADHM Cc1cccc([C@@H]2CCCCN2C(=O)c2c[nH]c(-c3nn[n-]n3)c2)c1C ZINC000826298026 609220531 /nfs/dbraw/zinc/22/05/31/609220531.db2.gz ZQVVCRVQZWZESH-KRWDZBQOSA-N -1 3 350.426 3.179 20 0 FGADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)C1(c2ccc(F)cc2F)CCC1 ZINC000826468164 609238407 /nfs/dbraw/zinc/23/84/07/609238407.db2.gz DFEHRJUIZHTPAI-UHFFFAOYSA-N -1 3 374.322 3.311 20 0 FGADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)C1(c2ccc(F)cc2F)CCC1 ZINC000826468164 609238409 /nfs/dbraw/zinc/23/84/09/609238409.db2.gz DFEHRJUIZHTPAI-UHFFFAOYSA-N -1 3 374.322 3.311 20 0 FGADHM CC(C)[C@@H](N[C@@H](C)c1ccc(-c2nnn[n-]2)c(F)c1)C(=O)OC(C)(C)C ZINC000824650241 609254209 /nfs/dbraw/zinc/25/42/09/609254209.db2.gz QHDPVDOYHUIAMZ-XHDPSFHLSA-N -1 3 363.437 3.023 20 0 FGADHM CC(C)[C@@H](N[C@@H](C)c1ccc(-c2nn[n-]n2)c(F)c1)C(=O)OC(C)(C)C ZINC000824650241 609254210 /nfs/dbraw/zinc/25/42/10/609254210.db2.gz QHDPVDOYHUIAMZ-XHDPSFHLSA-N -1 3 363.437 3.023 20 0 FGADHM C[C@@H](OC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)c1cccs1 ZINC000824715970 609256290 /nfs/dbraw/zinc/25/62/90/609256290.db2.gz VTIUCGMTEQMZNZ-IUODEOHRSA-N -1 3 369.450 3.201 20 0 FGADHM O=C(Nc1ccccc1Nc1ccccc1)c1ccc(-c2nnn[n-]2)cn1 ZINC000826457980 609260297 /nfs/dbraw/zinc/26/02/97/609260297.db2.gz XXHUAWJRWBVKPQ-UHFFFAOYSA-N -1 3 357.377 3.258 20 0 FGADHM O=C(Nc1ccccc1Nc1ccccc1)c1ccc(-c2nn[n-]n2)cn1 ZINC000826457980 609260299 /nfs/dbraw/zinc/26/02/99/609260299.db2.gz XXHUAWJRWBVKPQ-UHFFFAOYSA-N -1 3 357.377 3.258 20 0 FGADHM COCCn1ncc2ccc(N[C@@H](C)c3ccc(-c4nnn[n-]4)cc3)cc21 ZINC000826163655 609276944 /nfs/dbraw/zinc/27/69/44/609276944.db2.gz FEGAMXALIISJCS-ZDUSSCGKSA-N -1 3 363.425 3.036 20 0 FGADHM COCCn1ncc2ccc(N[C@@H](C)c3ccc(-c4nn[n-]n4)cc3)cc21 ZINC000826163655 609276946 /nfs/dbraw/zinc/27/69/46/609276946.db2.gz FEGAMXALIISJCS-ZDUSSCGKSA-N -1 3 363.425 3.036 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cc(C)c(C)cc1Cl ZINC000826186198 609280615 /nfs/dbraw/zinc/28/06/15/609280615.db2.gz JGFLIVXTTRRZJS-UHFFFAOYSA-N -1 3 357.801 3.398 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(C)c(C)cc1Cl ZINC000826186198 609280616 /nfs/dbraw/zinc/28/06/16/609280616.db2.gz JGFLIVXTTRRZJS-UHFFFAOYSA-N -1 3 357.801 3.398 20 0 FGADHM O[C@@H](c1ccccc1NCc1ccc(-c2nnn[n-]2)cc1F)C(F)(F)F ZINC000826505057 609286051 /nfs/dbraw/zinc/28/60/51/609286051.db2.gz LBRLCLSSIYWZNJ-AWEZNQCLSA-N -1 3 367.306 3.214 20 0 FGADHM O[C@@H](c1ccccc1NCc1ccc(-c2nn[n-]n2)cc1F)C(F)(F)F ZINC000826505057 609286052 /nfs/dbraw/zinc/28/60/52/609286052.db2.gz LBRLCLSSIYWZNJ-AWEZNQCLSA-N -1 3 367.306 3.214 20 0 FGADHM O=C(NCCc1ccc(Cl)s1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826439236 609289054 /nfs/dbraw/zinc/28/90/54/609289054.db2.gz KQAKFWVCFUETEJ-UHFFFAOYSA-N -1 3 368.249 3.208 20 0 FGADHM O=C(NCCc1ccc(Cl)s1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826439236 609289056 /nfs/dbraw/zinc/28/90/56/609289056.db2.gz KQAKFWVCFUETEJ-UHFFFAOYSA-N -1 3 368.249 3.208 20 0 FGADHM CCC(CC)[C@H](C)C(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000825096637 609292233 /nfs/dbraw/zinc/29/22/33/609292233.db2.gz PCFZHXZCYAMFQJ-NSHDSACASA-N -1 3 371.420 3.202 20 0 FGADHM O=C(Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1)C1CCCCCC1 ZINC000826458209 609292828 /nfs/dbraw/zinc/29/28/28/609292828.db2.gz HZRAYTZQXIBQBN-UHFFFAOYSA-N -1 3 369.404 3.100 20 0 FGADHM O=C(c1ccc(Cl)c(-c2nnn[n-]2)c1)N(CCC(F)(F)F)CC1CC1 ZINC000826472846 609302234 /nfs/dbraw/zinc/30/22/34/609302234.db2.gz YQKXNSKXBSUPQS-UHFFFAOYSA-N -1 3 373.766 3.325 20 0 FGADHM O=C(c1ccc(Cl)c(-c2nn[n-]n2)c1)N(CCC(F)(F)F)CC1CC1 ZINC000826472846 609302236 /nfs/dbraw/zinc/30/22/36/609302236.db2.gz YQKXNSKXBSUPQS-UHFFFAOYSA-N -1 3 373.766 3.325 20 0 FGADHM O=Cc1ccccc1OCc1ccc(-c2nnn[n-]2)cc1Br ZINC000826484022 609306742 /nfs/dbraw/zinc/30/67/42/609306742.db2.gz KCFSDJZGADDEKZ-UHFFFAOYSA-N -1 3 359.183 3.021 20 0 FGADHM O=Cc1ccccc1OCc1ccc(-c2nn[n-]n2)cc1Br ZINC000826484022 609306743 /nfs/dbraw/zinc/30/67/43/609306743.db2.gz KCFSDJZGADDEKZ-UHFFFAOYSA-N -1 3 359.183 3.021 20 0 FGADHM COCCC[C@@H](C)C(=O)N(Cc1ccco1)c1ccccc1-c1nnn[n-]1 ZINC000826154985 609313164 /nfs/dbraw/zinc/31/31/64/609313164.db2.gz BVLCNXSNVSJSPB-CQSZACIVSA-N -1 3 369.425 3.056 20 0 FGADHM COCCC[C@@H](C)C(=O)N(Cc1ccco1)c1ccccc1-c1nn[n-]n1 ZINC000826154985 609313165 /nfs/dbraw/zinc/31/31/65/609313165.db2.gz BVLCNXSNVSJSPB-CQSZACIVSA-N -1 3 369.425 3.056 20 0 FGADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)COC(C)(C)C)c1-c1nnn[n-]1 ZINC000826233495 609314990 /nfs/dbraw/zinc/31/49/90/609314990.db2.gz JTDLLWQKOGHLFE-UHFFFAOYSA-N -1 3 368.441 3.028 20 0 FGADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)COC(C)(C)C)c1-c1nn[n-]n1 ZINC000826233495 609314992 /nfs/dbraw/zinc/31/49/92/609314992.db2.gz JTDLLWQKOGHLFE-UHFFFAOYSA-N -1 3 368.441 3.028 20 0 FGADHM CCc1cc(NC(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)ccc1C ZINC000825700534 609331430 /nfs/dbraw/zinc/33/14/30/609331430.db2.gz JLOWWZSQXALUGC-ZDUSSCGKSA-N -1 3 351.410 3.144 20 0 FGADHM CCc1cc(NC(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)ccc1C ZINC000825700534 609331432 /nfs/dbraw/zinc/33/14/32/609331432.db2.gz JLOWWZSQXALUGC-ZDUSSCGKSA-N -1 3 351.410 3.144 20 0 FGADHM Cc1nc(CN[C@@H](C)c2ccc(-c3nnn[n-]3)cc2F)nc2ccccc12 ZINC000826326269 609332608 /nfs/dbraw/zinc/33/26/08/609332608.db2.gz IJCYSDHEHCCEHB-NSHDSACASA-N -1 3 363.400 3.108 20 0 FGADHM Cc1nc(CN[C@@H](C)c2ccc(-c3nn[n-]n3)cc2F)nc2ccccc12 ZINC000826326269 609332610 /nfs/dbraw/zinc/33/26/10/609332610.db2.gz IJCYSDHEHCCEHB-NSHDSACASA-N -1 3 363.400 3.108 20 0 FGADHM CCc1ccc(NCc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000825717952 609337467 /nfs/dbraw/zinc/33/74/67/609337467.db2.gz RTNMAKHQZOZDLA-UHFFFAOYSA-N -1 3 359.437 3.442 20 0 FGADHM CCc1ccc(NCc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825717952 609337469 /nfs/dbraw/zinc/33/74/69/609337469.db2.gz RTNMAKHQZOZDLA-UHFFFAOYSA-N -1 3 359.437 3.442 20 0 FGADHM Cc1cc(F)cc(NCc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826268003 609342789 /nfs/dbraw/zinc/34/27/89/609342789.db2.gz GEUNKGAIOCMYLA-UHFFFAOYSA-N -1 3 363.400 3.327 20 0 FGADHM Cc1cc(F)cc(NCc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826268003 609342791 /nfs/dbraw/zinc/34/27/91/609342791.db2.gz GEUNKGAIOCMYLA-UHFFFAOYSA-N -1 3 363.400 3.327 20 0 FGADHM C[C@@H](CC(=O)OCc1ccc(-c2nnn[n-]2)cc1Br)C1CC1 ZINC000824385481 609343863 /nfs/dbraw/zinc/34/38/63/609343863.db2.gz UZYBAAXQOUIPRN-VIFPVBQESA-N -1 3 365.231 3.109 20 0 FGADHM C[C@@H](CC(=O)OCc1ccc(-c2nn[n-]n2)cc1Br)C1CC1 ZINC000824385481 609343865 /nfs/dbraw/zinc/34/38/65/609343865.db2.gz UZYBAAXQOUIPRN-VIFPVBQESA-N -1 3 365.231 3.109 20 0 FGADHM C[C@H](CC(=O)OCc1ccc(-c2nnn[n-]2)cc1Br)C1CC1 ZINC000824385480 609343921 /nfs/dbraw/zinc/34/39/21/609343921.db2.gz UZYBAAXQOUIPRN-SECBINFHSA-N -1 3 365.231 3.109 20 0 FGADHM C[C@H](CC(=O)OCc1ccc(-c2nn[n-]n2)cc1Br)C1CC1 ZINC000824385480 609343922 /nfs/dbraw/zinc/34/39/22/609343922.db2.gz UZYBAAXQOUIPRN-SECBINFHSA-N -1 3 365.231 3.109 20 0 FGADHM C[C@@H](N[C@H]1COc2c1cccc2Cl)c1ccc(-c2nnn[n-]2)cc1F ZINC000824555529 609344037 /nfs/dbraw/zinc/34/40/37/609344037.db2.gz XENMHOKBWUTMNJ-PSLIRLAXSA-N -1 3 359.792 3.444 20 0 FGADHM C[C@@H](N[C@H]1COc2c1cccc2Cl)c1ccc(-c2nn[n-]n2)cc1F ZINC000824555529 609344038 /nfs/dbraw/zinc/34/40/38/609344038.db2.gz XENMHOKBWUTMNJ-PSLIRLAXSA-N -1 3 359.792 3.444 20 0 FGADHM COCCOc1ccc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000826162864 609346132 /nfs/dbraw/zinc/34/61/32/609346132.db2.gz VQSIBUUMJYNTAC-GFCCVEGCSA-N -1 3 357.389 3.204 20 0 FGADHM COCCOc1ccc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000826162864 609346133 /nfs/dbraw/zinc/34/61/33/609346133.db2.gz VQSIBUUMJYNTAC-GFCCVEGCSA-N -1 3 357.389 3.204 20 0 FGADHM CCN(Cc1ccccn1)Cc1ccc(-c2nnn[n-]2)cc1Br ZINC000825439474 609363915 /nfs/dbraw/zinc/36/39/15/609363915.db2.gz DCZAOZQQCVFXDR-UHFFFAOYSA-N -1 3 373.258 3.046 20 0 FGADHM CCN(Cc1ccccn1)Cc1ccc(-c2nn[n-]n2)cc1Br ZINC000825439474 609363918 /nfs/dbraw/zinc/36/39/18/609363918.db2.gz DCZAOZQQCVFXDR-UHFFFAOYSA-N -1 3 373.258 3.046 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C[C@@H]1CCO[C@@H](C(C)C)C1 ZINC000825621866 609378108 /nfs/dbraw/zinc/37/81/08/609378108.db2.gz ZQQKFYFXDRNAJY-CXAGYDPISA-N -1 3 373.457 3.045 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C[C@@H]1CCO[C@@H](C(C)C)C1 ZINC000825621866 609378109 /nfs/dbraw/zinc/37/81/09/609378109.db2.gz ZQQKFYFXDRNAJY-CXAGYDPISA-N -1 3 373.457 3.045 20 0 FGADHM C[C@@H]1CCN(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C[C@@H]1F ZINC000824945828 609380500 /nfs/dbraw/zinc/38/05/00/609380500.db2.gz GLEJSAHHZKVZBW-PELKAZGASA-N -1 3 372.326 3.097 20 0 FGADHM C[C@@H]1CCN(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C[C@@H]1F ZINC000824945828 609380502 /nfs/dbraw/zinc/38/05/02/609380502.db2.gz GLEJSAHHZKVZBW-PELKAZGASA-N -1 3 372.326 3.097 20 0 FGADHM O=C(OC[C@H]1CCc2ccccc2C1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000826463273 609385441 /nfs/dbraw/zinc/38/54/41/609385441.db2.gz YHHNNLPJLQCOAY-NSHDSACASA-N -1 3 370.359 3.107 20 0 FGADHM O=C(OC[C@H]1CCc2ccccc2C1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826463273 609385444 /nfs/dbraw/zinc/38/54/44/609385444.db2.gz YHHNNLPJLQCOAY-NSHDSACASA-N -1 3 370.359 3.107 20 0 FGADHM CCCOCCOC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000825339101 609386669 /nfs/dbraw/zinc/38/66/69/609386669.db2.gz NAGCZGREVKNRIY-UHFFFAOYSA-N -1 3 368.393 3.242 20 0 FGADHM CCCOCCOC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000825339101 609386672 /nfs/dbraw/zinc/38/66/72/609386672.db2.gz NAGCZGREVKNRIY-UHFFFAOYSA-N -1 3 368.393 3.242 20 0 FGADHM C[C@@H](NC(=O)N1CC[C@]2(CC[C@@H](C)C2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824917850 609401415 /nfs/dbraw/zinc/40/14/15/609401415.db2.gz OCVCAQLMWMTDOA-LPMFXHHGSA-N -1 3 354.458 3.149 20 0 FGADHM C[C@@H](NC(=O)N1CC[C@]2(CC[C@@H](C)C2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824917850 609401417 /nfs/dbraw/zinc/40/14/17/609401417.db2.gz OCVCAQLMWMTDOA-LPMFXHHGSA-N -1 3 354.458 3.149 20 0 FGADHM CC(=O)c1ccc(-c2nnn[n-]2)cc1N1CCc2c(Cl)cccc2C1 ZINC000824019537 609423324 /nfs/dbraw/zinc/42/33/24/609423324.db2.gz FWDORCGHASRINR-UHFFFAOYSA-N -1 3 353.813 3.285 20 0 FGADHM CC(=O)c1ccc(-c2nn[n-]n2)cc1N1CCc2c(Cl)cccc2C1 ZINC000824019537 609423326 /nfs/dbraw/zinc/42/33/26/609423326.db2.gz FWDORCGHASRINR-UHFFFAOYSA-N -1 3 353.813 3.285 20 0 FGADHM Cc1ccc2[nH]c3c(c2c1)C[C@@H](Nc1nc(C)ccc1-c1nnn[n-]1)CC3 ZINC000826293623 609434825 /nfs/dbraw/zinc/43/48/25/609434825.db2.gz WLGHDCRMEINMLQ-ZDUSSCGKSA-N -1 3 359.437 3.329 20 0 FGADHM Cc1ccc2[nH]c3c(c2c1)C[C@@H](Nc1nc(C)ccc1-c1nn[n-]n1)CC3 ZINC000826293623 609434827 /nfs/dbraw/zinc/43/48/27/609434827.db2.gz WLGHDCRMEINMLQ-ZDUSSCGKSA-N -1 3 359.437 3.329 20 0 FGADHM Fc1cc(Nc2ccc(-c3nnn[n-]3)cn2)cc(F)c1N1CCCCC1 ZINC000826372722 609438014 /nfs/dbraw/zinc/43/80/14/609438014.db2.gz IUXBHWXOXQKISS-UHFFFAOYSA-N -1 3 357.368 3.274 20 0 FGADHM Fc1cc(Nc2ccc(-c3nn[n-]n3)cn2)cc(F)c1N1CCCCC1 ZINC000826372722 609438015 /nfs/dbraw/zinc/43/80/15/609438015.db2.gz IUXBHWXOXQKISS-UHFFFAOYSA-N -1 3 357.368 3.274 20 0 FGADHM CC(C)Nc1cccc(F)c1NCCOc1cccc(-c2nnn[n-]2)c1 ZINC000824305997 609439492 /nfs/dbraw/zinc/43/94/92/609439492.db2.gz ZJOLEORFIFVHCK-UHFFFAOYSA-N -1 3 356.405 3.317 20 0 FGADHM CC(C)Nc1cccc(F)c1NCCOc1cccc(-c2nn[n-]n2)c1 ZINC000824305997 609439495 /nfs/dbraw/zinc/43/94/95/609439495.db2.gz ZJOLEORFIFVHCK-UHFFFAOYSA-N -1 3 356.405 3.317 20 0 FGADHM CCCOC(=O)[C@@H](C)Sc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000825333017 609450447 /nfs/dbraw/zinc/45/04/47/609450447.db2.gz PBQOAGWMZJYVSA-MRVPVSSYSA-N -1 3 360.361 3.319 20 0 FGADHM CCCOC(=O)[C@@H](C)Sc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000825333017 609450450 /nfs/dbraw/zinc/45/04/50/609450450.db2.gz PBQOAGWMZJYVSA-MRVPVSSYSA-N -1 3 360.361 3.319 20 0 FGADHM COCc1ccsc1C(=O)N(CC(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826165409 609450687 /nfs/dbraw/zinc/45/06/87/609450687.db2.gz TURLVCXVTUTKOE-UHFFFAOYSA-N -1 3 371.466 3.377 20 0 FGADHM COCc1ccsc1C(=O)N(CC(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826165409 609450689 /nfs/dbraw/zinc/45/06/89/609450689.db2.gz TURLVCXVTUTKOE-UHFFFAOYSA-N -1 3 371.466 3.377 20 0 FGADHM CCn1ccnc1CSc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000825805157 609450710 /nfs/dbraw/zinc/45/07/10/609450710.db2.gz VJJLXUWULCEOCK-UHFFFAOYSA-N -1 3 354.361 3.394 20 0 FGADHM CCn1ccnc1CSc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000825805157 609450712 /nfs/dbraw/zinc/45/07/12/609450712.db2.gz VJJLXUWULCEOCK-UHFFFAOYSA-N -1 3 354.361 3.394 20 0 FGADHM C[C@@H]1CN(C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)[C@H]2CCCC[C@H]12 ZINC000824975791 609454790 /nfs/dbraw/zinc/45/47/90/609454790.db2.gz LHIMOYUOEHFYTP-YUELXQCFSA-N -1 3 371.489 3.466 20 0 FGADHM C[C@@H]1CN(C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)[C@H]2CCCC[C@H]12 ZINC000824975791 609454791 /nfs/dbraw/zinc/45/47/91/609454791.db2.gz LHIMOYUOEHFYTP-YUELXQCFSA-N -1 3 371.489 3.466 20 0 FGADHM C[C@H](Nc1nc2ccccn2c1-c1nnn[n-]1)c1ccc(OC(F)F)cc1 ZINC000824662219 609458507 /nfs/dbraw/zinc/45/85/07/609458507.db2.gz FWZHYBLACJQTQD-JTQLQIEISA-N -1 3 371.351 3.289 20 0 FGADHM C[C@H](Nc1nc2ccccn2c1-c1nn[n-]n1)c1ccc(OC(F)F)cc1 ZINC000824662219 609458508 /nfs/dbraw/zinc/45/85/08/609458508.db2.gz FWZHYBLACJQTQD-JTQLQIEISA-N -1 3 371.351 3.289 20 0 FGADHM c1sc(-c2ccccc2)nc1CNc1nc2ccccn2c1-c1nnn[n-]1 ZINC000826519373 609460458 /nfs/dbraw/zinc/46/04/58/609460458.db2.gz WBLUUTUPAAYSBO-UHFFFAOYSA-N -1 3 374.433 3.250 20 0 FGADHM c1sc(-c2ccccc2)nc1CNc1nc2ccccn2c1-c1nn[n-]n1 ZINC000826519373 609460461 /nfs/dbraw/zinc/46/04/61/609460461.db2.gz WBLUUTUPAAYSBO-UHFFFAOYSA-N -1 3 374.433 3.250 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C=Cc1cnccc1C ZINC000825313296 609479815 /nfs/dbraw/zinc/47/98/15/609479815.db2.gz ABJTWSLBRBJUHQ-CMDGGOBGSA-N -1 3 362.437 3.022 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C=Cc1cnccc1C ZINC000825313296 609479817 /nfs/dbraw/zinc/47/98/17/609479817.db2.gz ABJTWSLBRBJUHQ-CMDGGOBGSA-N -1 3 362.437 3.022 20 0 FGADHM CCOc1cccc(CSCc2ccc(OC)c(-c3nnn[n-]3)c2)n1 ZINC000825649597 609488013 /nfs/dbraw/zinc/48/80/13/609488013.db2.gz SMYSQHHUXURFHU-UHFFFAOYSA-N -1 3 357.439 3.102 20 0 FGADHM CCOc1cccc(CSCc2ccc(OC)c(-c3nn[n-]n3)c2)n1 ZINC000825649597 609488015 /nfs/dbraw/zinc/48/80/15/609488015.db2.gz SMYSQHHUXURFHU-UHFFFAOYSA-N -1 3 357.439 3.102 20 0 FGADHM C[C@@H]1CCC[C@@H]1C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000824928193 609489310 /nfs/dbraw/zinc/48/93/10/609489310.db2.gz SDMZMRAMJFLRNA-WBMJQRKESA-N -1 3 364.409 3.429 20 0 FGADHM CC(C)Oc1ccc(NCc2cn3cccc(F)c3n2)cc1-c1nnn[n-]1 ZINC000824329220 609492509 /nfs/dbraw/zinc/49/25/09/609492509.db2.gz LQTGVTZMFPQZCB-UHFFFAOYSA-N -1 3 367.388 3.053 20 0 FGADHM CC(C)Oc1ccc(NCc2cn3cccc(F)c3n2)cc1-c1nn[n-]n1 ZINC000824329220 609492511 /nfs/dbraw/zinc/49/25/11/609492511.db2.gz LQTGVTZMFPQZCB-UHFFFAOYSA-N -1 3 367.388 3.053 20 0 FGADHM CN(C[C@@H]1CC=CCC1)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000825909408 609495327 /nfs/dbraw/zinc/49/53/27/609495327.db2.gz XZIPIRZJIQJAPG-CYBMUJFWSA-N -1 3 357.462 3.243 20 0 FGADHM CN(C[C@@H]1CC=CCC1)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000825909408 609495329 /nfs/dbraw/zinc/49/53/29/609495329.db2.gz XZIPIRZJIQJAPG-CYBMUJFWSA-N -1 3 357.462 3.243 20 0 FGADHM Cc1ccc2c(c1)[C@@H](NC(=S)Nc1ccccc1-c1nnn[n-]1)[C@@H](C)C2 ZINC000826294582 609509100 /nfs/dbraw/zinc/50/91/00/609509100.db2.gz WDVHBYJDWXPIMA-SJCJKPOMSA-N -1 3 364.478 3.395 20 0 FGADHM Cc1ccc2c(c1)[C@@H](NC(=S)Nc1ccccc1-c1nn[n-]n1)[C@@H](C)C2 ZINC000826294582 609509101 /nfs/dbraw/zinc/50/91/01/609509101.db2.gz WDVHBYJDWXPIMA-SJCJKPOMSA-N -1 3 364.478 3.395 20 0 FGADHM Cc1c(Cl)cnc(NCCc2c[nH]c3ccccc23)c1-c1nnn[n-]1 ZINC000826240389 609518353 /nfs/dbraw/zinc/51/83/53/609518353.db2.gz QHIJDCFFVMFEOR-UHFFFAOYSA-N -1 3 353.817 3.359 20 0 FGADHM Cc1c(Cl)cnc(NCCc2c[nH]c3ccccc23)c1-c1nn[n-]n1 ZINC000826240389 609518356 /nfs/dbraw/zinc/51/83/56/609518356.db2.gz QHIJDCFFVMFEOR-UHFFFAOYSA-N -1 3 353.817 3.359 20 0 FGADHM CCC[C@@H]1C[C@H](C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(C)C)CCO1 ZINC000825255165 609531846 /nfs/dbraw/zinc/53/18/46/609531846.db2.gz VZPLINNMAPVTRT-HUUCEWRRSA-N -1 3 373.457 3.188 20 0 FGADHM CCC[C@@H]1C[C@H](C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(C)C)CCO1 ZINC000825255165 609531849 /nfs/dbraw/zinc/53/18/49/609531849.db2.gz VZPLINNMAPVTRT-HUUCEWRRSA-N -1 3 373.457 3.188 20 0 FGADHM Cc1ccnc(N(C)C[C@H]2CCCO[C@H]2c2ccccc2)c1-c1nnn[n-]1 ZINC000826309660 609542967 /nfs/dbraw/zinc/54/29/67/609542967.db2.gz XENKTJVKFDCZHV-AEFFLSMTSA-N -1 3 364.453 3.174 20 0 FGADHM Cc1ccnc(N(C)C[C@H]2CCCO[C@H]2c2ccccc2)c1-c1nn[n-]n1 ZINC000826309660 609542970 /nfs/dbraw/zinc/54/29/70/609542970.db2.gz XENKTJVKFDCZHV-AEFFLSMTSA-N -1 3 364.453 3.174 20 0 FGADHM c1ccc(OC[C@H]2CCN(c3ccc4cc(-c5nnn[n-]5)ccc4n3)C2)cc1 ZINC000826522975 609574185 /nfs/dbraw/zinc/57/41/85/609574185.db2.gz VQMJXAATTCZCID-HNNXBMFYSA-N -1 3 372.432 3.320 20 0 FGADHM c1ccc(OC[C@H]2CCN(c3ccc4cc(-c5nn[n-]n5)ccc4n3)C2)cc1 ZINC000826522975 609574187 /nfs/dbraw/zinc/57/41/87/609574187.db2.gz VQMJXAATTCZCID-HNNXBMFYSA-N -1 3 372.432 3.320 20 0 FGADHM Cc1c(NC(=O)c2ccc([C@@H]3CCCOC3)cc2)cccc1-c1nnn[n-]1 ZINC000826242130 609579564 /nfs/dbraw/zinc/57/95/64/609579564.db2.gz BAVJCPNGIQZBOA-MRXNPFEDSA-N -1 3 363.421 3.321 20 0 FGADHM Cc1c(NC(=O)c2ccc([C@@H]3CCCOC3)cc2)cccc1-c1nn[n-]n1 ZINC000826242130 609579565 /nfs/dbraw/zinc/57/95/65/609579565.db2.gz BAVJCPNGIQZBOA-MRXNPFEDSA-N -1 3 363.421 3.321 20 0 FGADHM COCCN(C(=O)[C@@H]1C[C@H](C)CC(C)(C)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826157318 609589527 /nfs/dbraw/zinc/58/95/27/609589527.db2.gz QUKSJZYSCVJVLZ-GOEBONIOSA-N -1 3 371.485 3.309 20 0 FGADHM COCCN(C(=O)[C@@H]1C[C@H](C)CC(C)(C)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826157318 609589528 /nfs/dbraw/zinc/58/95/28/609589528.db2.gz QUKSJZYSCVJVLZ-GOEBONIOSA-N -1 3 371.485 3.309 20 0 FGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)N1CCC[C@@H]1/C=C\c1ccccc1 ZINC000826441281 609594403 /nfs/dbraw/zinc/59/44/03/609594403.db2.gz XDEZKSGAWGELNF-QTJNJRLBSA-N -1 3 374.448 3.254 20 0 FGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)N1CCC[C@@H]1/C=C\c1ccccc1 ZINC000826441281 609594405 /nfs/dbraw/zinc/59/44/05/609594405.db2.gz XDEZKSGAWGELNF-QTJNJRLBSA-N -1 3 374.448 3.254 20 0 FGADHM Cc1ccc(N2CCN(c3c(-c4nnn[n-]4)cnc4ccccc43)CC2)cc1 ZINC000826290664 609595375 /nfs/dbraw/zinc/59/53/75/609595375.db2.gz UMQRMDAYWVDQQI-UHFFFAOYSA-N -1 3 371.448 3.050 20 0 FGADHM Cc1ccc(N2CCN(c3c(-c4nn[n-]n4)cnc4ccccc43)CC2)cc1 ZINC000826290664 609595379 /nfs/dbraw/zinc/59/53/79/609595379.db2.gz UMQRMDAYWVDQQI-UHFFFAOYSA-N -1 3 371.448 3.050 20 0 FGADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N(C)C[C@H]1CC=CCC1 ZINC000824207117 609607863 /nfs/dbraw/zinc/60/78/63/609607863.db2.gz PXVZJHVJKIGWMH-MAUKXSAKSA-N -1 3 369.469 3.085 20 0 FGADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N(C)C[C@H]1CC=CCC1 ZINC000824207117 609607865 /nfs/dbraw/zinc/60/78/65/609607865.db2.gz PXVZJHVJKIGWMH-MAUKXSAKSA-N -1 3 369.469 3.085 20 0 FGADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)Nc1ncccc1-c1ccccc1 ZINC000826422289 609609190 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Cc1cc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)cc2)ccc1Cl ZINC000242941500 713602416 /nfs/dbraw/zinc/60/24/16/713602416.db2.gz HBTDALJXHCOOGQ-UHFFFAOYSA-N -1 3 366.870 3.286 20 0 FGADHM Cc1c([N-]S(=O)(=O)[C@H]2C[C@@H]2c2cccc(F)c2)cnn1CC(C)C ZINC000641685557 717920612 /nfs/dbraw/zinc/92/06/12/717920612.db2.gz KDIZLGPAMIAFQP-WBVHZDCISA-N -1 3 351.447 3.284 20 0 FGADHM O=C(c1cc([O-])c2ccccc2c1)N1CCCN(CC(F)(F)F)CC1 ZINC000279445141 713758352 /nfs/dbraw/zinc/75/83/52/713758352.db2.gz FQGYAZJMLJALJR-UHFFFAOYSA-N -1 3 352.356 3.256 20 0 FGADHM O=S(=O)([N-]Cc1cccc(C(F)(F)F)c1)c1cnc(Cl)c(F)c1 ZINC000323972741 713815003 /nfs/dbraw/zinc/81/50/03/713815003.db2.gz IQYSKHFTIYKVDG-UHFFFAOYSA-N -1 3 368.739 3.371 20 0 FGADHM CCOc1cc(-c2noc([C@H](C)N(C)C)n2)cc(Br)c1[O-] ZINC000350598087 713851928 /nfs/dbraw/zinc/85/19/28/713851928.db2.gz PGRHMPTZBXEISF-QMMMGPOBSA-N -1 3 356.220 3.226 20 0 FGADHM CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)c1cc2c(cc1[O-])OCO2 ZINC000436527699 714026451 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COc1c(C)cc(S(=O)(=O)[N-]c2ccc(N(C)C(C)=O)cc2)cc1C ZINC000620877538 714947510 /nfs/dbraw/zinc/94/75/10/714947510.db2.gz IWOUNSWMPYCZDL-UHFFFAOYSA-N -1 3 362.451 3.096 20 0 FGADHM O=C(NC[C@H](CCO)c1ccccc1)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621908043 715035470 /nfs/dbraw/zinc/03/54/70/715035470.db2.gz KLJBVFYQHXYLGR-ZDUSSCGKSA-N -1 3 353.340 3.307 20 0 FGADHM O=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621931414 715037675 /nfs/dbraw/zinc/03/76/75/715037675.db2.gz WMMALISTBIVHMW-ZNMIVQPWSA-N -1 3 355.356 3.489 20 0 FGADHM C[C@@H](c1ccccc1)[C@@H](CO)NC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621945612 715039857 /nfs/dbraw/zinc/03/98/57/715039857.db2.gz UKQUGCWMTBSBSV-MEDUHNTESA-N -1 3 353.340 3.305 20 0 FGADHM Cn1cc([C@@H]2N(C(=O)c3cc([O-])cc(C(F)(F)F)c3)CC2(C)C)cn1 ZINC000622187867 715059806 /nfs/dbraw/zinc/05/98/06/715059806.db2.gz KAERAJAFHSHGJT-AWEZNQCLSA-N -1 3 353.344 3.368 20 0 FGADHM O=C(Nc1cncnc1N1CCCC1)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622435864 715074533 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O=C(NCCCCNc1ccccn1)c1cc([O-])cc(Br)c1 ZINC000625274834 715696668 /nfs/dbraw/zinc/69/66/68/715696668.db2.gz DXYWMIGTELSMJW-UHFFFAOYSA-N -1 3 364.243 3.172 20 0 FGADHM CCn1nc(C)c(S(=O)(=O)[N-][C@@H](CCc2ccccc2)C(F)F)c1C ZINC000625421519 715727931 /nfs/dbraw/zinc/72/79/31/715727931.db2.gz ALEITCNKVFHUQU-HNNXBMFYSA-N -1 3 371.453 3.065 20 0 FGADHM C[C@H](Oc1ccc(C=O)cc1)C(=O)Nc1cc(Br)ccc1[O-] ZINC000802888730 724415996 /nfs/dbraw/zinc/41/59/96/724415996.db2.gz LFBHMFDNSBNTEW-JTQLQIEISA-N -1 3 364.195 3.373 20 0 FGADHM CC(C)(CNC(=O)c1cc([O-])cc(Br)c1)[C@H]1CCCCO1 ZINC000626084811 715843835 /nfs/dbraw/zinc/84/38/35/715843835.db2.gz QQPNYVRLBVQJPQ-CQSZACIVSA-N -1 3 356.260 3.480 20 0 FGADHM COCC[C@@H](Cc1ccco1)NC(=O)c1cc([O-])cc(Br)c1 ZINC000626428019 715904357 /nfs/dbraw/zinc/90/43/57/715904357.db2.gz PRLSKSKQJIOEKQ-ZDUSSCGKSA-N -1 3 368.227 3.125 20 0 FGADHM O=C(c1cc(=O)[n-]cn1)N1CCSC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000626491663 715914546 /nfs/dbraw/zinc/91/45/46/715914546.db2.gz 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Cc1nnc(CSc2nc3c(cnn3-c3cccc(Cl)c3)c(=O)[n-]2)o1 ZINC000645088401 718180524 /nfs/dbraw/zinc/18/05/24/718180524.db2.gz PJAOKPGBEVFKFC-UHFFFAOYSA-N -1 3 374.813 3.158 20 0 FGADHM C[C@H]1CN(c2ccc(CNCc3cccc([O-])c3Cl)cn2)C[C@H](C)O1 ZINC000645146265 718187020 /nfs/dbraw/zinc/18/70/20/718187020.db2.gz FPXKXJYWXSVBGQ-KBPBESRZSA-N -1 3 361.873 3.344 20 0 FGADHM C[C@H]1SCC[C@@H]1[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000645877786 718248562 /nfs/dbraw/zinc/24/85/62/718248562.db2.gz CFCNUKNCXKCOSG-APPZFPTMSA-N -1 3 370.721 3.275 20 0 FGADHM O=S(=O)([N-]C[C@@H]1CC1(Cl)Cl)c1ccc(C(F)(F)F)cc1F ZINC000780692603 724492160 /nfs/dbraw/zinc/49/21/60/724492160.db2.gz CWFVHQYDMPBJNW-ZETCQYMHSA-N -1 3 366.163 3.317 20 0 FGADHM COc1cccc(CNC(=O)c2cc([O-])cc(C(F)(F)F)c2)c1OC ZINC000646644354 718303466 /nfs/dbraw/zinc/30/34/66/718303466.db2.gz RQQQKGXASIKRRP-UHFFFAOYSA-N -1 3 355.312 3.358 20 0 FGADHM O=c1cc(-c2noc(C3(Cc4ccccc4Br)CC3)n2)nc[n-]1 ZINC000647418351 718356686 /nfs/dbraw/zinc/35/66/86/718356686.db2.gz 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/nfs/dbraw/zinc/84/10/07/718841007.db2.gz KOGFRNZYFUPSBT-SECBINFHSA-N -1 3 368.318 3.055 20 0 FGADHM Cc1cc(Br)sc1S(=O)(=O)[N-][C@@H](C)[C@H]1CCCCO1 ZINC000651630632 718843501 /nfs/dbraw/zinc/84/35/01/718843501.db2.gz IMDDMXQRPMPGDC-VHSXEESVSA-N -1 3 368.318 3.055 20 0 FGADHM CCC[C@@]1([N-]S(=O)(=O)c2sc(Br)cc2C)CCOC1 ZINC000651703049 718852756 /nfs/dbraw/zinc/85/27/56/718852756.db2.gz LVWIKWABLFHQTN-GFCCVEGCSA-N -1 3 368.318 3.057 20 0 FGADHM CC[C@H]1C[C@@H]([N-]S(=O)(=O)c2sc(Br)cc2C)CCO1 ZINC000651744516 718859014 /nfs/dbraw/zinc/85/90/14/718859014.db2.gz FFTMCBNEIBRYJR-UWVGGRQHSA-N -1 3 368.318 3.055 20 0 FGADHM Cc1ncc(S(=O)(=O)[N-]C2(c3ccc(C(F)(F)F)cc3)CC2)s1 ZINC000651925495 718889794 /nfs/dbraw/zinc/88/97/94/718889794.db2.gz KCFXLFRVLAGTEN-UHFFFAOYSA-N -1 3 362.398 3.438 20 0 FGADHM O=C([O-])[C@H]1Cc2c(Br)cccc2CN1CCC[C@@H]1CCOC1 ZINC000652489709 718950648 /nfs/dbraw/zinc/95/06/48/718950648.db2.gz GZYWUCMTNKEFJF-MLGOLLRUSA-N -1 3 368.271 3.077 20 0 FGADHM Cc1ccc(-c2nsc(NC(=O)c3cc(=O)[n-]c(C4CC4)n3)n2)s1 ZINC000654713073 719226062 /nfs/dbraw/zinc/22/60/62/719226062.db2.gz GOSBOBCTOBRWDV-UHFFFAOYSA-N -1 3 359.436 3.200 20 0 FGADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]CCc1ncc(C)cc1C ZINC000655634500 719316876 /nfs/dbraw/zinc/31/68/76/719316876.db2.gz QPAFRGGAZSBRBW-UHFFFAOYSA-N -1 3 362.426 3.413 20 0 FGADHM CSc1ccccc1S(=O)(=O)[N-][C@@H](C[C@H]1CCCO1)C(F)(F)F ZINC000655661643 719320582 /nfs/dbraw/zinc/32/05/82/719320582.db2.gz HBIBQFPDIGBSDZ-MFKMUULPSA-N -1 3 369.430 3.187 20 0 FGADHM Cc1cc(S(=O)(=O)[N-][C@H](C[C@H]2CCCO2)C(F)(F)F)cc(C)c1F ZINC000655661498 719320634 /nfs/dbraw/zinc/32/06/34/719320634.db2.gz FIBWOEFBRPMUBP-DGCLKSJQSA-N -1 3 369.380 3.221 20 0 FGADHM Cc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000655662413 719321218 /nfs/dbraw/zinc/32/12/18/719321218.db2.gz RJLJRKZVYNNAKP-AAEUAGOBSA-N -1 3 371.808 3.427 20 0 FGADHM O=S(=O)([N-][C@H]1CCCN2CCCC[C@H]12)c1c(Cl)cccc1Cl ZINC000655668530 719323660 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356.850 3.234 20 0 FGADHM CCOc1c(OC)cc(CN[C@@H](CC(=O)[O-])c2cccs2)cc1OC ZINC000671162162 721569560 /nfs/dbraw/zinc/56/95/60/721569560.db2.gz MYOZOOAIFPEVSY-ZDUSSCGKSA-N -1 3 365.451 3.470 20 0 FGADHM C[C@@H](NC(=O)c1cccc2n[n-]nc21)[C@H](O)c1c(Cl)cccc1Cl ZINC000783678092 724778490 /nfs/dbraw/zinc/77/84/90/724778490.db2.gz CHVRFPSWEKRQMN-GLEZIHRCSA-N -1 3 365.220 3.117 20 0 FGADHM C[C@H](NC(=O)c1cccc2n[n-]nc21)[C@H](O)c1c(Cl)cccc1Cl ZINC000783678090 724778605 /nfs/dbraw/zinc/77/86/05/724778605.db2.gz CHVRFPSWEKRQMN-AYVTZFPOSA-N -1 3 365.220 3.117 20 0 FGADHM CCC[C@@H]([N-]S(=O)(=O)c1cccnc1C(F)(F)F)c1ccccn1 ZINC000672383442 721631880 /nfs/dbraw/zinc/63/18/80/721631880.db2.gz ZYTWZKXKIKZDHY-GFCCVEGCSA-N -1 3 359.373 3.315 20 0 FGADHM CC(C)c1nc(S(=O)(=O)[N-]C[C@H]2CCCC[C@H]2C(F)(F)F)c[nH]1 ZINC000672427019 721633259 /nfs/dbraw/zinc/63/32/59/721633259.db2.gz VAEUSGNQAATESO-GHMZBOCLSA-N -1 3 353.410 3.180 20 0 FGADHM CCN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2F)c1 ZINC000673480584 721663567 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/nfs/dbraw/zinc/12/22/97/729122297.db2.gz CVRXYYADSPUUPC-VIFPVBQESA-N -1 3 373.247 3.349 20 0 FGADHM Cc1ccc(NC(=O)CNc2ccc(-c3nn[n-]n3)cc2Cl)cc1F ZINC000822242676 729156571 /nfs/dbraw/zinc/15/65/71/729156571.db2.gz UHSTWSCHDLDBEH-UHFFFAOYSA-N -1 3 360.780 3.018 20 0 FGADHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)c1sccc1C(F)F ZINC000822919439 729232407 /nfs/dbraw/zinc/23/24/07/729232407.db2.gz UIHZUBWZGFVZAF-BDAKNGLRSA-N -1 3 369.393 3.179 20 0 FGADHM CC(C)(C)OC(=O)Nc1ncc(CCC(=O)[N-]OC/C=C\Cl)s1 ZINC000823046142 729247355 /nfs/dbraw/zinc/24/73/55/729247355.db2.gz GVKQYFYRUSNBMQ-DAXSKMNVSA-N -1 3 361.851 3.223 20 0 FGADHM O=C(c1cccc(-c2nnn[n-]2)c1)N(Cc1cccs1)CC(F)(F)F ZINC000823488444 729284524 /nfs/dbraw/zinc/28/45/24/729284524.db2.gz MSUMPWLYNQYYSF-UHFFFAOYSA-N -1 3 367.356 3.133 20 0 FGADHM O=C(c1cccc(-c2nn[n-]n2)c1)N(Cc1cccs1)CC(F)(F)F ZINC000823488444 729284526 /nfs/dbraw/zinc/28/45/26/729284526.db2.gz MSUMPWLYNQYYSF-UHFFFAOYSA-N -1 3 367.356 3.133 20 0 FGADHM CC(C)[C@@H]1OCC[C@@H]1CNc1ccc(Br)cc1-c1nnn[n-]1 ZINC000824227959 729325911 /nfs/dbraw/zinc/32/59/11/729325911.db2.gz CKHYXMUTZLGAMP-YGRLFVJLSA-N -1 3 366.263 3.102 20 0 FGADHM CC(C)[C@@H]1OCC[C@@H]1CNc1ccc(Br)cc1-c1nn[n-]n1 ZINC000824227959 729325914 /nfs/dbraw/zinc/32/59/14/729325914.db2.gz CKHYXMUTZLGAMP-YGRLFVJLSA-N -1 3 366.263 3.102 20 0 FGADHM C[C@H]1C[C@@H](CCNc2ccc(Br)cc2-c2nnn[n-]2)CCO1 ZINC000824883668 729363633 /nfs/dbraw/zinc/36/36/33/729363633.db2.gz INDMNTJCFYLDFY-QWRGUYRKSA-N -1 3 366.263 3.246 20 0 FGADHM C[C@H]1C[C@@H](CCNc2ccc(Br)cc2-c2nn[n-]n2)CCO1 ZINC000824883668 729363634 /nfs/dbraw/zinc/36/36/34/729363634.db2.gz INDMNTJCFYLDFY-QWRGUYRKSA-N -1 3 366.263 3.246 20 0 FGADHM CCCc1nc(C)c(C(=O)OCc2ccc(-c3nnn[n-]3)cc2C)s1 ZINC000825352283 729379895 /nfs/dbraw/zinc/37/98/95/729379895.db2.gz LCYHWPQRONCQFC-UHFFFAOYSA-N -1 3 357.439 3.250 20 0 FGADHM CCCc1nc(C)c(C(=O)OCc2ccc(-c3nn[n-]n3)cc2C)s1 ZINC000825352283 729379898 /nfs/dbraw/zinc/37/98/98/729379898.db2.gz LCYHWPQRONCQFC-UHFFFAOYSA-N -1 3 357.439 3.250 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc(C)c(C)c1Cl ZINC000826186361 729406259 /nfs/dbraw/zinc/40/62/59/729406259.db2.gz PHVRLUGZXMENNN-UHFFFAOYSA-N -1 3 357.801 3.398 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(C)c(C)c1Cl ZINC000826186361 729406260 /nfs/dbraw/zinc/40/62/60/729406260.db2.gz PHVRLUGZXMENNN-UHFFFAOYSA-N -1 3 357.801 3.398 20 0 FGADHM FC(F)(F)[C@@H](NCCc1cccs1)c1cccc(-c2nnn[n-]2)c1 ZINC000826367188 729407614 /nfs/dbraw/zinc/40/76/14/729407614.db2.gz OVUCOERJUAZBIU-ZDUSSCGKSA-N -1 3 353.373 3.364 20 0 FGADHM FC(F)(F)[C@@H](NCCc1cccs1)c1cccc(-c2nn[n-]n2)c1 ZINC000826367188 729407615 /nfs/dbraw/zinc/40/76/15/729407615.db2.gz OVUCOERJUAZBIU-ZDUSSCGKSA-N -1 3 353.373 3.364 20 0 FGADHM Fc1cc(NCc2cc(-c3nnn[n-]3)cs2)ccc1Br ZINC000826372705 729407752 /nfs/dbraw/zinc/40/77/52/729407752.db2.gz IJIILDRUVWCECI-UHFFFAOYSA-N -1 3 354.208 3.442 20 0 FGADHM Fc1cc(NCc2cc(-c3nn[n-]n3)cs2)ccc1Br ZINC000826372705 729407753 /nfs/dbraw/zinc/40/77/53/729407753.db2.gz IJIILDRUVWCECI-UHFFFAOYSA-N -1 3 354.208 3.442 20 0 FGADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1)[C@H]1CCc2c1cccc2Cl ZINC000826464884 729408109 /nfs/dbraw/zinc/40/81/09/729408109.db2.gz QKCUARPAJZZZII-HNNXBMFYSA-N -1 3 354.797 3.293 20 0 FGADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1)[C@H]1CCc2c1cccc2Cl ZINC000826464884 729408110 /nfs/dbraw/zinc/40/81/10/729408110.db2.gz QKCUARPAJZZZII-HNNXBMFYSA-N -1 3 354.797 3.293 20 0 FGADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCCC2)[C@@H]1CCCCS1 ZINC000826460694 729408154 /nfs/dbraw/zinc/40/81/54/729408154.db2.gz NEYQNJIKLHNGNB-LBPRGKRZSA-N -1 3 363.512 3.421 20 0 FGADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCCC2)[C@@H]1CCCCS1 ZINC000826460694 729408155 /nfs/dbraw/zinc/40/81/55/729408155.db2.gz NEYQNJIKLHNGNB-LBPRGKRZSA-N -1 3 363.512 3.421 20 0 FGADHM O=C(Nc1cncc(Cl)c1Cl)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000826459599 729408196 /nfs/dbraw/zinc/40/81/96/729408196.db2.gz QHQWZUSNZUIMGM-UHFFFAOYSA-N -1 3 371.134 3.099 20 0 FGADHM O=C(Nc1cncc(Cl)c1Cl)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826459599 729408197 /nfs/dbraw/zinc/40/81/97/729408197.db2.gz QHQWZUSNZUIMGM-UHFFFAOYSA-N -1 3 371.134 3.099 20 0 FGADHM CO[C@@H](C[N-]S(=O)(=O)c1cc2cccc(C)c2s1)C(F)(F)F ZINC000827155629 729426117 /nfs/dbraw/zinc/42/61/17/729426117.db2.gz YMCIAGTZJBOAFM-JTQLQIEISA-N -1 3 353.387 3.065 20 0 FGADHM CSc1ccc([O-])c(C(=O)N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)c1 ZINC000829725553 729506957 /nfs/dbraw/zinc/50/69/57/729506957.db2.gz IQCJRQLGUNCGAM-LBPRGKRZSA-N -1 3 366.483 3.196 20 0 FGADHM Cc1nc([N-]C(=O)c2cc(C(C)(C)NC(=O)OC(C)(C)C)no2)cs1 ZINC000831032199 729612028 /nfs/dbraw/zinc/61/20/28/729612028.db2.gz YUOYSJBFGBJXOL-UHFFFAOYSA-N -1 3 366.443 3.452 20 0 FGADHM CCON(CC)C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000831463343 729643789 /nfs/dbraw/zinc/64/37/89/729643789.db2.gz VSUPLDOPPJARDU-UHFFFAOYSA-N -1 3 373.634 3.358 20 0 FGADHM CCN1CC[C@@H]([N-]C(=O)C(F)(F)CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000831978697 729679539 /nfs/dbraw/zinc/67/95/39/729679539.db2.gz XUUILVACYRUJTO-OCCSQVGLSA-N -1 3 350.331 3.401 20 0 FGADHM COc1cccc([C@@H]2C[C@H]2[N-]S(=O)(=O)c2ccc(Cl)nc2Cl)c1 ZINC000832499757 729716767 /nfs/dbraw/zinc/71/67/67/729716767.db2.gz ADMNPLTUBCZJBU-NWDGAFQWSA-N -1 3 373.261 3.231 20 0 FGADHM CCC(F)(F)C(=O)[N-]Cc1noc(-c2cccc(Br)c2)n1 ZINC000834755171 729831757 /nfs/dbraw/zinc/83/17/57/729831757.db2.gz PSKPGANUUUXZKZ-UHFFFAOYSA-N -1 3 360.158 3.161 20 0 FGADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1cccc(Br)c1C ZINC000836362786 729953143 /nfs/dbraw/zinc/95/31/43/729953143.db2.gz UJOYUSLRYZNHET-UHFFFAOYSA-N -1 3 359.220 3.152 20 0 FGADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1cccc(Br)c1C ZINC000836362786 729953144 /nfs/dbraw/zinc/95/31/44/729953144.db2.gz UJOYUSLRYZNHET-UHFFFAOYSA-N -1 3 359.220 3.152 20 0 FGADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1ccc(Cl)c(OC(F)F)c1 ZINC000836498554 729957823 /nfs/dbraw/zinc/95/78/23/729957823.db2.gz ROUJMHZHIBHFCX-UHFFFAOYSA-N -1 3 366.748 3.336 20 0 FGADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000836498554 729957824 /nfs/dbraw/zinc/95/78/24/729957824.db2.gz ROUJMHZHIBHFCX-UHFFFAOYSA-N -1 3 366.748 3.336 20 0 FGADHM CC(C)O[N-]C(=O)CC[C@H](Cc1ccc(Cl)cc1)C(=O)NOC(C)C ZINC000836797988 729970424 /nfs/dbraw/zinc/97/04/24/729970424.db2.gz DKOGDBHNYJKPER-OAHLLOKOSA-N -1 3 370.877 3.191 20 0 FGADHM CC(C)[C@H](CO)O[N-]C(=O)Cc1csc2ccc(Br)cc12 ZINC000836900072 729973461 /nfs/dbraw/zinc/97/34/61/729973461.db2.gz RCNHCVLFOMMZAE-ZDUSSCGKSA-N -1 3 372.284 3.271 20 0 FGADHM O=C(CSc1nc2ccccc2o1)OCc1cc(=O)[n-]c(C2CC2)n1 ZINC000837384566 730024154 /nfs/dbraw/zinc/02/41/54/730024154.db2.gz UWKXCNCODLYIHY-UHFFFAOYSA-N -1 3 357.391 3.036 20 0 FGADHM Cc1ccc(Br)c(C(=O)OCc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000837581463 730044059 /nfs/dbraw/zinc/04/40/59/730044059.db2.gz INBJXXGNRRCGRH-UHFFFAOYSA-N -1 3 363.211 3.488 20 0 FGADHM O=C(O[C@@H]1C[C@@H]2CCCC[C@@H]2NC1=O)c1cc2cc(Cl)sc2[n-]1 ZINC000837736354 730058874 /nfs/dbraw/zinc/05/88/74/730058874.db2.gz HUWCYKRMHBDAEC-PTOFAABTSA-N -1 3 352.843 3.487 20 0 FGADHM CC(C)(C)OC(=O)N1CCc2nc(C=Cc3nccc(=O)[n-]3)sc2C1 ZINC000840715157 730165200 /nfs/dbraw/zinc/16/52/00/730165200.db2.gz CAFCTQFXFJGELX-PLNGDYQASA-N -1 3 360.439 3.102 20 0 FGADHM CC(C)[C@H](C(=O)[N-]OCCC(F)(F)F)[C@@H](C)NC(=O)OC(C)(C)C ZINC000841428386 730242434 /nfs/dbraw/zinc/24/24/34/730242434.db2.gz PVIYTJCCGSYONC-MNOVXSKESA-N -1 3 356.385 3.172 20 0 FGADHM C[C@H]1CCCc2nc(S(=O)(=O)[N-]CC[C@]3(C)CC3(Cl)Cl)cn21 ZINC000841526718 730253442 /nfs/dbraw/zinc/25/34/42/730253442.db2.gz NVWRYNAIMGZBMV-GXFFZTMASA-N -1 3 366.314 3.033 20 0 FGADHM Cc1ccc([O-])c(C(=O)Nc2ccccc2C(=O)NCC(F)(F)F)c1 ZINC000843451004 730622077 /nfs/dbraw/zinc/62/20/77/730622077.db2.gz HYKYQJYHRBFHNI-UHFFFAOYSA-N -1 3 352.312 3.245 20 0 FGADHM O=C([N-]C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[C@@H]2C2CC2)C1)C(F)(F)F ZINC000843597989 730634986 /nfs/dbraw/zinc/63/49/86/730634986.db2.gz KKZAPKFZRICMLO-NWANDNLSSA-N -1 3 360.420 3.120 20 0 FGADHM CC(C)[C@H](OC(=O)c1ccc(N)c(Cl)c1[O-])C(=O)NC1CCCCC1 ZINC000845194868 730818308 /nfs/dbraw/zinc/81/83/08/730818308.db2.gz SSLBGKRXLSDAPN-INIZCTEOSA-N -1 3 368.861 3.258 20 0 FGADHM C[C@]1(CC[N-]S(=O)(=O)c2c(Cl)nc3sccn32)C[C@@]1(F)Cl ZINC000845979465 730914828 /nfs/dbraw/zinc/91/48/28/730914828.db2.gz HKUAXYOGGGMCIL-QWRGUYRKSA-N -1 3 372.274 3.032 20 0 FGADHM O=C([O-])c1cccc(Br)c1CN1CCC(c2cn[nH]c2)CC1 ZINC000846241914 730939266 /nfs/dbraw/zinc/93/92/66/730939266.db2.gz UYXHHAYEOQFUKT-UHFFFAOYSA-N -1 3 364.243 3.250 20 0 FGADHM O=C(NC[C@@]1(CO)CCc2ccccc21)c1cc2sccc2c([O-])c1 ZINC000846344682 730948144 /nfs/dbraw/zinc/94/81/44/730948144.db2.gz SUQBRZYVXZYGKU-HXUWFJFHSA-N -1 3 353.443 3.213 20 0 FGADHM CC(=O)C1CCN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)CC1 ZINC000846948098 730998174 /nfs/dbraw/zinc/99/81/74/730998174.db2.gz LFLLJWRPSFCGFZ-UHFFFAOYSA-N -1 3 357.435 3.458 20 0 FGADHM CC(C)(C)OC(=O)NCc1nocc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000847599879 731069129 /nfs/dbraw/zinc/06/91/29/731069129.db2.gz 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CC(=O)N1CCCc2cc(S(=O)(=O)[N-]c3cc(F)ccc3F)ccc21 ZINC000015243611 494343725 /nfs/dbraw/zinc/34/37/25/494343725.db2.gz WPPMPBVIEZNWFB-UHFFFAOYSA-N -1 3 366.389 3.065 20 0 FGADHM CCOC(=O)c1sc2[n-]c(CC(=O)c3cccc(C)c3)nc(=O)c2c1C ZINC000055494080 494353107 /nfs/dbraw/zinc/35/31/07/494353107.db2.gz NSHVRIFSBBKVRB-UHFFFAOYSA-N -1 3 370.430 3.204 20 0 FGADHM C[C@H](CC(C)(C)C)c1nc(-c2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)no1 ZINC000571363366 505715334 /nfs/dbraw/zinc/71/53/34/505715334.db2.gz YKWRXRGXCYRTOH-WYRIXSBYSA-N -1 3 356.426 3.331 20 0 FGADHM Cc1c(Cl)cccc1NC(=O)CC[N-]S(=O)(=O)c1ccccc1F ZINC000015431888 494353273 /nfs/dbraw/zinc/35/32/73/494353273.db2.gz SIBODAFSSUJGPJ-UHFFFAOYSA-N -1 3 370.833 3.095 20 0 FGADHM COC(=O)c1ccc([N-]C(=O)c2cnc([C@H]3CCCO3)s2)c(F)c1 ZINC000089797817 494366683 /nfs/dbraw/zinc/36/66/83/494366683.db2.gz CJAZRFLTWXUVFP-GFCCVEGCSA-N -1 3 350.371 3.173 20 0 FGADHM COCCOc1ccc(S(=O)(=O)[N-]c2ccc(C)c(O)c2C)cc1C ZINC000055616253 494373527 /nfs/dbraw/zinc/37/35/27/494373527.db2.gz NQLGZBMTTRRCBW-UHFFFAOYSA-N -1 3 365.451 3.143 20 0 FGADHM CC(C)n1c(CNC(=O)c2cccc(CN3CCCC3)c2)n[n-]c1=S ZINC000066640802 494374393 /nfs/dbraw/zinc/37/43/93/494374393.db2.gz GMFUGERSGJTGIU-UHFFFAOYSA-N -1 3 359.499 3.047 20 0 FGADHM COC(=O)CCCCC[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000016087765 494376771 /nfs/dbraw/zinc/37/67/71/494376771.db2.gz YYGHSIBGGXOVMS-UHFFFAOYSA-N -1 3 354.255 3.005 20 0 FGADHM COc1cc(C(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)ccc1C ZINC000016112426 494378325 /nfs/dbraw/zinc/37/83/25/494378325.db2.gz UTSRHUSQNRZEEY-UHFFFAOYSA-N -1 3 368.433 3.200 20 0 FGADHM COc1cccc2c(C(=O)Nc3ccc(OC[C@H]4CCCO4)cc3)[n-]nc21 ZINC000574198932 505717947 /nfs/dbraw/zinc/71/79/47/505717947.db2.gz IWMNIPYIBGVGGC-OAHLLOKOSA-N -1 3 367.405 3.382 20 0 FGADHM COc1cccc2c(C(=O)Nc3ccc(OC[C@H]4CCCO4)cc3)n[n-]c21 ZINC000574198932 505717950 /nfs/dbraw/zinc/71/79/50/505717950.db2.gz IWMNIPYIBGVGGC-OAHLLOKOSA-N -1 3 367.405 3.382 20 0 FGADHM Cc1cc(C)nc(N2CCN(Cc3cc([O-])cc(C(F)(F)F)c3)CC2)n1 ZINC000574209125 505720504 /nfs/dbraw/zinc/72/05/04/505720504.db2.gz URNKDQODZRBRSC-UHFFFAOYSA-N -1 3 366.387 3.140 20 0 FGADHM CCN(Cc1c([O-])nnn1-c1ccccc1)Cc1ccc(CN(C)C)cc1 ZINC000066795593 494411325 /nfs/dbraw/zinc/41/13/25/494411325.db2.gz ZYINMXTYKZGJGV-UHFFFAOYSA-N -1 3 365.481 3.057 20 0 FGADHM COc1ccc(C(=O)NCc2cccc(NC(=O)C3CCCC3)c2)c([O-])c1 ZINC000055832332 494412840 /nfs/dbraw/zinc/41/28/40/494412840.db2.gz ARTNBVUIRANCFN-UHFFFAOYSA-N -1 3 368.433 3.460 20 0 FGADHM Cc1nn(-c2nc(C)cc(C)n2)c(C)c1CC(=O)Nc1ccc(C)cc1[O-] ZINC000045298196 494415481 /nfs/dbraw/zinc/41/54/81/494415481.db2.gz BGDGDRSVPBDNQG-UHFFFAOYSA-N -1 3 365.437 3.091 20 0 FGADHM Cc1csc(CNC(=O)NN=c2[n-]cc(C(F)(F)F)cc2Cl)n1 ZINC000045357644 494420511 /nfs/dbraw/zinc/42/05/11/494420511.db2.gz PVGXHWQTQROXMX-UHFFFAOYSA-N -1 3 365.768 3.345 20 0 FGADHM CC(C)[C@H]([N-]S(=O)(=O)Cc1cccc(Cl)c1)C(=O)OC(C)(C)C ZINC000568553870 505721393 /nfs/dbraw/zinc/72/13/93/505721393.db2.gz AFWRQQQEDUYRKZ-AWEZNQCLSA-N -1 3 361.891 3.126 20 0 FGADHM CCCOCc1ccccc1CNC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000056018751 494442906 /nfs/dbraw/zinc/44/29/06/494442906.db2.gz YQQXEWKWFGNYNF-UHFFFAOYSA-N -1 3 350.418 3.385 20 0 FGADHM Cc1ccc([C@@H]2OCCC[C@H]2C(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000079380000 494443444 /nfs/dbraw/zinc/44/34/44/494443444.db2.gz ZFDKMEGJRLMMTL-MSOLQXFVSA-N -1 3 363.421 3.282 20 0 FGADHM Cc1ccc([C@@H]2OCCC[C@H]2C(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000079380000 494443446 /nfs/dbraw/zinc/44/34/46/494443446.db2.gz ZFDKMEGJRLMMTL-MSOLQXFVSA-N -1 3 363.421 3.282 20 0 FGADHM CC(C)Oc1ncccc1C[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000056068910 494450164 /nfs/dbraw/zinc/45/01/64/494450164.db2.gz ICGHKGGBFNRZMS-UHFFFAOYSA-N -1 3 374.384 3.366 20 0 FGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)[C@@H]1SCCc2ccccc21 ZINC000079437621 494454177 /nfs/dbraw/zinc/45/41/77/494454177.db2.gz JSRLNMIPLFMJDA-MRXNPFEDSA-N -1 3 362.476 3.027 20 0 FGADHM Cc1cc(O[C@@H](C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)ccc1Cl ZINC000020499154 494474876 /nfs/dbraw/zinc/47/48/76/494474876.db2.gz PCNVXALFTNNOTM-NSHDSACASA-N -1 3 357.801 3.235 20 0 FGADHM Cc1cc(O[C@@H](C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)ccc1Cl ZINC000020499154 494474881 /nfs/dbraw/zinc/47/48/81/494474881.db2.gz PCNVXALFTNNOTM-NSHDSACASA-N -1 3 357.801 3.235 20 0 FGADHM COc1ccc(C(=O)NCCCC(=O)Nc2cc(Cl)ccc2[O-])cc1 ZINC000067145475 494483693 /nfs/dbraw/zinc/48/36/93/494483693.db2.gz VTJOOYTXSXBRQU-UHFFFAOYSA-N -1 3 362.813 3.203 20 0 FGADHM Cc1cc(NC(=O)[C@@H](C)SCC(=O)Nc2cc(Cl)ccc2[O-])no1 ZINC000067145578 494484023 /nfs/dbraw/zinc/48/40/23/494484023.db2.gz NNIYHYGMCALBRK-SECBINFHSA-N -1 3 369.830 3.041 20 0 FGADHM Cc1cccc(C)c1OC[C@H](C)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000056437966 494505244 /nfs/dbraw/zinc/50/52/44/494505244.db2.gz YSFYVYZFENSEKB-HNNXBMFYSA-N -1 3 350.418 3.342 20 0 FGADHM COc1ccc(C(=O)N2CC[C@@H](OCCCc3ccccc3)C2)c([O-])c1 ZINC000079716908 494513626 /nfs/dbraw/zinc/51/36/26/494513626.db2.gz QSUOPVKJSUOQPJ-GOSISDBHSA-N -1 3 355.434 3.265 20 0 FGADHM O=C(Nc1ncccc1[O-])C1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000022264342 494518497 /nfs/dbraw/zinc/51/84/97/494518497.db2.gz ZKZLDYDXFQIEQK-UHFFFAOYSA-N -1 3 366.343 3.056 20 0 FGADHM CC(C)CNC(=O)[C@H](C)Sc1n[n-]c(COc2ccc(Cl)cc2)n1 ZINC000023270647 494559582 /nfs/dbraw/zinc/55/95/82/494559582.db2.gz PXGHVZNIPJPQEC-NSHDSACASA-N -1 3 368.890 3.290 20 0 FGADHM COC(=O)c1cncc(C(=O)[N-]c2nc(-c3ccc(C)s3)ns2)c1 ZINC000091244680 494572200 /nfs/dbraw/zinc/57/22/00/494572200.db2.gz LTUJADBRGOAWJE-UHFFFAOYSA-N -1 3 360.420 3.009 20 0 FGADHM CCCn1c(=O)[n-]nc1S[C@@H](C)C(=O)N1c2ccccc2CC[C@@H]1C ZINC000023763948 494581091 /nfs/dbraw/zinc/58/10/91/494581091.db2.gz DQSOWXACPNRJSU-STQMWFEESA-N -1 3 360.483 3.242 20 0 FGADHM CCCn1c(=O)[n-]nc1S[C@H](C)C(=O)Nc1cccc2ncccc21 ZINC000023763521 494581806 /nfs/dbraw/zinc/58/18/06/494581806.db2.gz SNVFHFLJDYMDJG-LLVKDONJSA-N -1 3 357.439 3.061 20 0 FGADHM Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1Cc1cc(=O)c([O-])co1 ZINC000125949054 494585534 /nfs/dbraw/zinc/58/55/34/494585534.db2.gz HXXOIENXTRRZAV-CQSZACIVSA-N -1 3 365.861 3.497 20 0 FGADHM CCCCC[N-]S(=O)(=O)c1cc(Br)ccc1OCC ZINC000023993515 494593904 /nfs/dbraw/zinc/59/39/04/494593904.db2.gz CVRNETUGIXPWQI-UHFFFAOYSA-N -1 3 350.278 3.316 20 0 FGADHM O=C(Cc1csc(-c2cccs2)n1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000121101013 494596858 /nfs/dbraw/zinc/59/68/58/494596858.db2.gz WAJMHBIGYNXWBB-UHFFFAOYSA-N -1 3 368.447 3.233 20 0 FGADHM O=C(Cc1csc(-c2cccs2)n1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000121101013 494596862 /nfs/dbraw/zinc/59/68/62/494596862.db2.gz WAJMHBIGYNXWBB-UHFFFAOYSA-N -1 3 368.447 3.233 20 0 FGADHM O=C(Nc1ccc(Br)cc1[O-])c1cc2ccccc2c(=O)[nH]1 ZINC000125991519 494599121 /nfs/dbraw/zinc/59/91/21/494599121.db2.gz GPBCPCMTTKMXKA-UHFFFAOYSA-N -1 3 359.179 3.249 20 0 FGADHM O=[S@](Cc1ccc(I)cc1)c1ccc([O-])cc1 ZINC000091537832 494614334 /nfs/dbraw/zinc/61/43/34/494614334.db2.gz QKWFRBHQJGDDFG-KRWDZBQOSA-N -1 3 358.200 3.305 20 0 FGADHM COc1cccc(C(=O)N[C@H](C)c2ccc(-n3ccnc3C)cc2)c1[O-] ZINC000121145183 494615470 /nfs/dbraw/zinc/61/54/70/494615470.db2.gz VYAWVIWTPCNNLE-CYBMUJFWSA-N -1 3 351.406 3.386 20 0 FGADHM COc1cccc(C(=O)NCc2ccc(COCC(F)(F)F)cc2)c1[O-] ZINC000121148342 494617123 /nfs/dbraw/zinc/61/71/23/494617123.db2.gz GKZSYGQMKZXRCT-UHFFFAOYSA-N -1 3 369.339 3.410 20 0 FGADHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-]C[C@H]2CCC[C@H](C)C2)s1 ZINC000057011916 494618097 /nfs/dbraw/zinc/61/80/97/494618097.db2.gz PRRMEURUUMQTLD-SCRDCRAPSA-N -1 3 358.529 3.050 20 0 FGADHM O=C(C[S@@](=O)c1ccc([O-])cc1)Nc1ccc(OC(F)(F)F)cc1 ZINC000108085078 494645572 /nfs/dbraw/zinc/64/55/72/494645572.db2.gz HGNADXOQZSPTLE-DEOSSOPVSA-N -1 3 359.325 3.037 20 0 FGADHM Cc1ccsc1-c1nsc([N-]C(=O)c2cc(-n3cccn3)ccn2)n1 ZINC000131521014 494647261 /nfs/dbraw/zinc/64/72/61/494647261.db2.gz MRWJBLJYIUCPOB-UHFFFAOYSA-N -1 3 368.447 3.408 20 0 FGADHM COC(=O)c1cc(S(=O)(=O)[N-][C@H](C)c2cc(C)sc2C)oc1C ZINC000080254626 494654494 /nfs/dbraw/zinc/65/44/94/494654494.db2.gz RNSVODNAYCRFMI-SECBINFHSA-N -1 3 357.453 3.092 20 0 FGADHM Cc1ccc(C)c(SCC(=O)Nc2ccccc2[N-]S(C)(=O)=O)c1 ZINC000024881031 494674923 /nfs/dbraw/zinc/67/49/23/494674923.db2.gz LEZHSOCLNIYBAZ-UHFFFAOYSA-N -1 3 364.492 3.406 20 0 FGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)CSCc1ccc(F)cc1 ZINC000024886060 494675247 /nfs/dbraw/zinc/67/52/47/494675247.db2.gz JPVBNYZBNBGZDS-UHFFFAOYSA-N -1 3 368.455 3.069 20 0 FGADHM CSc1ccc(C)c(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)c1 ZINC000024895232 494676968 /nfs/dbraw/zinc/67/69/68/494676968.db2.gz GIGRWNZFMQSTAP-UHFFFAOYSA-N -1 3 350.465 3.341 20 0 FGADHM COCCN(Cc1ccc(C)o1)C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000092601902 494684657 /nfs/dbraw/zinc/68/46/57/494684657.db2.gz BDNWYGQMZTVWIN-UHFFFAOYSA-N -1 3 359.422 3.296 20 0 FGADHM COc1cc(N[C@H]2CCCN(C(=O)c3cc(C)ccc3[O-])C2)cc(OC)c1 ZINC000121302884 494691352 /nfs/dbraw/zinc/69/13/52/494691352.db2.gz DFRZIXMNJFEWOR-HNNXBMFYSA-N -1 3 370.449 3.435 20 0 FGADHM Cc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)c([O-])c1 ZINC000057260799 494698089 /nfs/dbraw/zinc/69/80/89/494698089.db2.gz WBSXDEFMHTYGME-ZDUSSCGKSA-N -1 3 373.840 3.240 20 0 FGADHM COc1ccc(C(=O)N2CCC([C@H](O)c3ccc(F)cc3)CC2)c([O-])c1 ZINC000108458462 494711922 /nfs/dbraw/zinc/71/19/22/494711922.db2.gz GITWVHIGNSXBMZ-LJQANCHMSA-N -1 3 359.397 3.126 20 0 FGADHM CCN(CC)[C@@H](CNC(=O)c1c(C)[n-]c(=O)nc1SC)c1ccccc1 ZINC000080509899 494723878 /nfs/dbraw/zinc/72/38/78/494723878.db2.gz KXIXSKRCXQVLQH-HNNXBMFYSA-N -1 3 374.510 3.025 20 0 FGADHM CC(C)(C)n1cc(CN2CCC(C(=O)Nc3ccccc3[O-])CC2)cn1 ZINC000121382703 494730429 /nfs/dbraw/zinc/73/04/29/494730429.db2.gz BGVUIGPJRYVYFU-UHFFFAOYSA-N -1 3 356.470 3.194 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H](COC)c3ccccc3)nc2)n1 ZINC000091981456 494742285 /nfs/dbraw/zinc/74/22/85/494742285.db2.gz UBZLARJVXOIDBO-KRWDZBQOSA-N -1 3 350.422 3.194 20 0 FGADHM C[C@]1(c2cccc(-c3nc(C4CCCCCC4)no3)c2)NC(=O)[N-]C1=O ZINC000577493202 505740071 /nfs/dbraw/zinc/74/00/71/505740071.db2.gz XIDHUFGDZAMCDJ-LJQANCHMSA-N -1 3 354.410 3.229 20 0 FGADHM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)CO3)c1C ZINC000025694617 494769325 /nfs/dbraw/zinc/76/93/25/494769325.db2.gz REHHFYMMPSNDIS-UHFFFAOYSA-N -1 3 360.435 3.052 20 0 FGADHM C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)C1 ZINC000075534424 494788524 /nfs/dbraw/zinc/78/85/24/494788524.db2.gz LAWDDPOSYXSKAP-PIGZYNQJSA-N -1 3 367.380 3.324 20 0 FGADHM COc1ccc(COCCC(=O)Nc2n[n-]c(-c3ccccc3F)n2)cc1 ZINC000126612706 494802447 /nfs/dbraw/zinc/80/24/47/494802447.db2.gz XAULAJXIGIROCJ-UHFFFAOYSA-N -1 3 370.384 3.165 20 0 FGADHM COCCN(Cc1ccco1)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000026449161 494825838 /nfs/dbraw/zinc/82/58/38/494825838.db2.gz GBOFRWMWLLQELT-UHFFFAOYSA-N -1 3 353.378 3.323 20 0 FGADHM CCc1ccc(/C=C/C(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)o1 ZINC000121723285 494845498 /nfs/dbraw/zinc/84/54/98/494845498.db2.gz UMHODAYTALJYED-MDZDMXLPSA-N -1 3 368.433 3.438 20 0 FGADHM CC(C)NC(=O)CSCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000026941827 494846594 /nfs/dbraw/zinc/84/65/94/494846594.db2.gz GPLDFPYVFCRDPK-UHFFFAOYSA-N -1 3 373.503 3.409 20 0 FGADHM COc1ccc([C@@H](C)N(C)C(=O)CCNC(=O)c2ccc(C)cc2[O-])cc1 ZINC000116773384 494850624 /nfs/dbraw/zinc/85/06/24/494850624.db2.gz TWFALUXINFGRJY-OAHLLOKOSA-N -1 3 370.449 3.049 20 0 FGADHM O=S(=O)([N-]C[C@H]1CCC[C@H](O)C1)c1ccc(Cl)cc1C(F)(F)F ZINC000121762750 494854913 /nfs/dbraw/zinc/85/49/13/494854913.db2.gz HGGUUXDFBMWTPK-ONGXEEELSA-N -1 3 371.808 3.188 20 0 FGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)CCc1ccc(OCC)cc1 ZINC000093313976 494866284 /nfs/dbraw/zinc/86/62/84/494866284.db2.gz MTJFVYUCEOTJNB-UHFFFAOYSA-N -1 3 360.410 3.384 20 0 FGADHM COc1cccc(C(=O)N2CCC[C@H](C(=O)c3ccc(F)cc3)C2)c1[O-] ZINC000132399082 494868597 /nfs/dbraw/zinc/86/85/97/494868597.db2.gz SDOKOOZGEYUGNP-AWEZNQCLSA-N -1 3 357.381 3.275 20 0 FGADHM CC[C@@H](C)[C@@H](C(=O)NCCNC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000116975197 494878206 /nfs/dbraw/zinc/87/82/06/494878206.db2.gz YOKSHJQPNMCEKG-DNVCBOLYSA-N -1 3 354.450 3.068 20 0 FGADHM Cc1cc(Cl)cc(NC(=O)CN2C(=O)[C@@H](C)Oc3ccccc32)c1[O-] ZINC000116978690 494878308 /nfs/dbraw/zinc/87/83/08/494878308.db2.gz DKSWRJMIGTYNQQ-LLVKDONJSA-N -1 3 360.797 3.107 20 0 FGADHM Cc1cc(Cl)cc(NC(=O)COc2cccc(N3CCCC3=O)c2)c1[O-] ZINC000116979024 494878562 /nfs/dbraw/zinc/87/85/62/494878562.db2.gz BEVHYUQATARDPF-UHFFFAOYSA-N -1 3 374.824 3.498 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1)c1nc(-c2ccsc2)no1 ZINC000109476329 494880239 /nfs/dbraw/zinc/88/02/39/494880239.db2.gz XZIOBFYGOXIMQJ-VIFPVBQESA-N -1 3 369.855 3.491 20 0 FGADHM Cc1ccc(NC(=O)[C@@H](C)Sc2n[n-]c(-c3ccccn3)n2)c(F)c1 ZINC000117112331 494892339 /nfs/dbraw/zinc/89/23/39/494892339.db2.gz NVKMKPSNIQBPQD-LLVKDONJSA-N -1 3 357.414 3.434 20 0 FGADHM COc1cccc(-c2noc(CSc3n[n-]c(-c4ccccn4)n3)n2)c1 ZINC000117115398 494892939 /nfs/dbraw/zinc/89/29/39/494892939.db2.gz DYRAFORYRVSFFO-UHFFFAOYSA-N -1 3 366.406 3.218 20 0 FGADHM c1ccc(-c2nc(SCCCc3nc(-c4ccncc4)no3)n[n-]2)nc1 ZINC000117115139 494893007 /nfs/dbraw/zinc/89/30/07/494893007.db2.gz VKOPHFUSQQQCCX-UHFFFAOYSA-N -1 3 365.422 3.037 20 0 FGADHM CCc1ccc([C@H](C)NC(=O)CSc2n[n-]c(-c3ccccn3)n2)cc1 ZINC000117116004 494893271 /nfs/dbraw/zinc/89/32/71/494893271.db2.gz AFRPQCKVEOYUIM-ZDUSSCGKSA-N -1 3 367.478 3.399 20 0 FGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@H]3CCC[C@@]3(C)CO)s2)cs1 ZINC000132831664 494930304 /nfs/dbraw/zinc/93/03/04/494930304.db2.gz SPUDFYKCOLDKDX-ZFWWWQNUSA-N -1 3 372.537 3.009 20 0 FGADHM COc1ccc([O-])c(C(=O)Nc2ccccc2N2C[C@@H](C)O[C@H](C)C2)c1 ZINC000122176119 494935587 /nfs/dbraw/zinc/93/55/87/494935587.db2.gz YZJFIRRBUIXCPZ-ZIAGYGMSSA-N -1 3 356.422 3.267 20 0 FGADHM O=C(NCCc1nc(C2CCCCC2)cs1)c1ccc2n[n-]nc2c1 ZINC000109976517 494936136 /nfs/dbraw/zinc/93/61/36/494936136.db2.gz QDGNDXKUOKLOJY-UHFFFAOYSA-N -1 3 355.467 3.435 20 0 FGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@@H](C)C2CCOCC2)cc1Cl ZINC000132883252 494937119 /nfs/dbraw/zinc/93/71/19/494937119.db2.gz DTOSIJPKPARVIX-VIFPVBQESA-N -1 3 368.282 3.095 20 0 FGADHM Cc1nc(S(=O)(=O)[N-]CCC(c2ccccc2)c2ccccc2)cn1C ZINC000110001416 494939207 /nfs/dbraw/zinc/93/92/07/494939207.db2.gz WQIVEHPUSHRUIJ-UHFFFAOYSA-N -1 3 369.490 3.229 20 0 FGADHM COc1ccccc1[C@H]1CCCN1C(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000122215207 494941052 /nfs/dbraw/zinc/94/10/52/494941052.db2.gz MZWODOXDWDCXRQ-QGZVFWFLSA-N -1 3 354.406 3.337 20 0 FGADHM O=C(CSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)C1CCCCC1 ZINC000132913876 494941954 /nfs/dbraw/zinc/94/19/54/494941954.db2.gz BTWQDKJWZJMSND-UHFFFAOYSA-N -1 3 368.462 3.350 20 0 FGADHM Cc1nc(-c2ccc([N-]S(=O)(=O)C[C@H]3CCCCO3)cc2)cs1 ZINC000110096863 494948859 /nfs/dbraw/zinc/94/88/59/494948859.db2.gz LGQKXQINURKHSH-OAHLLOKOSA-N -1 3 352.481 3.429 20 0 FGADHM CCc1nc([N-]C(=O)c2ncoc2-c2ccccc2)sc1C(=O)OC ZINC000127493338 494952349 /nfs/dbraw/zinc/95/23/49/494952349.db2.gz LWCVJLGYZMVZKB-UHFFFAOYSA-N -1 3 357.391 3.399 20 0 FGADHM O=C(COc1ccc(Br)cc1F)NCc1ccc([O-])c(F)c1 ZINC000133011748 494956207 /nfs/dbraw/zinc/95/62/07/494956207.db2.gz WIOPMDDYYDLSHO-UHFFFAOYSA-N -1 3 372.165 3.128 20 0 FGADHM CCCOc1ccc([N-]S(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1 ZINC000133044128 494960948 /nfs/dbraw/zinc/96/09/48/494960948.db2.gz IIBVGDAHFWYFAT-UHFFFAOYSA-N -1 3 374.462 3.403 20 0 FGADHM O=C(CC1CCCCC1)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000133079057 494965452 /nfs/dbraw/zinc/96/54/52/494965452.db2.gz LHTDINKMTQLWOI-UHFFFAOYSA-N -1 3 354.447 3.175 20 0 FGADHM Cc1ncc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccc(Br)cc2)s1 ZINC000571503258 505748469 /nfs/dbraw/zinc/74/84/69/505748469.db2.gz MHUHPBPEYGKGQJ-NWDGAFQWSA-N -1 3 373.297 3.048 20 0 FGADHM CC(C)c1cccc(O[C@@H](C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)c1 ZINC000122490878 494984340 /nfs/dbraw/zinc/98/43/40/494984340.db2.gz YYKXRILPNXIOFI-ZDUSSCGKSA-N -1 3 351.410 3.396 20 0 FGADHM CC(C)c1cccc(O[C@@H](C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)c1 ZINC000122490878 494984341 /nfs/dbraw/zinc/98/43/41/494984341.db2.gz YYKXRILPNXIOFI-ZDUSSCGKSA-N -1 3 351.410 3.396 20 0 FGADHM Cc1c(C(=O)Nc2ccc(C)cc2[O-])cnn1CCO[C@H]1CCCCO1 ZINC000122545660 494991765 /nfs/dbraw/zinc/99/17/65/494991765.db2.gz QHOZAQKOCFUORL-SFHVURJKSA-N -1 3 359.426 3.001 20 0 FGADHM COc1cccc(C(=O)NCc2ccc(N3CCCCCC3)nc2)c1[O-] ZINC000127797497 494999677 /nfs/dbraw/zinc/99/96/77/494999677.db2.gz YMDQYDPNQONYDT-UHFFFAOYSA-N -1 3 355.438 3.106 20 0 FGADHM CC(C)(C)c1nc(CCNC(=O)NCc2ccc([O-])c(F)c2)cs1 ZINC000133349931 495004321 /nfs/dbraw/zinc/00/43/21/495004321.db2.gz GIMFITGZJVJVMB-UHFFFAOYSA-N -1 3 351.447 3.327 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CCC[C@H]2Cc2ccccc2)c1 ZINC000122672822 495013607 /nfs/dbraw/zinc/01/36/07/495013607.db2.gz UUCOCSQDDJPKNN-QFBILLFUSA-N -1 3 352.434 3.492 20 0 FGADHM COC(=O)c1cc([N-]C(=O)c2c(C)onc2-c2ccccn2)c(F)cc1F ZINC000122683335 495015181 /nfs/dbraw/zinc/01/51/81/495015181.db2.gz JUTQKEPWOOUDQY-UHFFFAOYSA-N -1 3 373.315 3.362 20 0 FGADHM O=S(=O)(CCOCC1CC1)[N-]c1cc(Br)ccc1Cl ZINC000580421619 505755683 /nfs/dbraw/zinc/75/56/83/505755683.db2.gz LGMIBGGAMCVPAD-UHFFFAOYSA-N -1 3 368.680 3.271 20 0 FGADHM O=S(=O)([N-]Cc1cn2c(n1)CCCC2)c1cc(Cl)ccc1Cl ZINC000097000848 495018595 /nfs/dbraw/zinc/01/85/95/495018595.db2.gz SHZDRMCWFNVNRF-UHFFFAOYSA-N -1 3 360.266 3.005 20 0 FGADHM CC(C)(C)c1ccc(-c2nc([N-]C(=O)c3cc(C(N)=O)cs3)n[nH]2)cc1 ZINC000097106788 495024367 /nfs/dbraw/zinc/02/43/67/495024367.db2.gz NXWKKXZTJMIBIU-UHFFFAOYSA-N -1 3 369.450 3.182 20 0 FGADHM C[C@@H](CS(=O)(=O)[N-]CC(=O)Nc1ccc(Cl)cc1)c1ccccc1 ZINC000133542671 495026627 /nfs/dbraw/zinc/02/66/27/495026627.db2.gz DKISHNRWDCXRDG-ZDUSSCGKSA-N -1 3 366.870 3.002 20 0 FGADHM Cc1cc(Cl)c([N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1Cl ZINC000133578459 495030985 /nfs/dbraw/zinc/03/09/85/495030985.db2.gz FTOZYSFXDKXVMH-UHFFFAOYSA-N -1 3 372.233 3.272 20 0 FGADHM CC(C)c1nc(S(=O)(=O)[N-][C@@H]2CCSc3ccc(F)cc32)c[nH]1 ZINC000122788199 495031496 /nfs/dbraw/zinc/03/14/96/495031496.db2.gz CKURRBNMPOMWCD-GFCCVEGCSA-N -1 3 355.460 3.188 20 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KLJULFOLTJUURW-UHFFFAOYSA-N -1 3 352.434 3.446 20 0 FGADHM O=C(N[C@@H]1CCCN(c2ccccc2Cl)C1)c1ccc2n[n-]nc2c1 ZINC000128405281 495091414 /nfs/dbraw/zinc/09/14/14/495091414.db2.gz NYHAEGYACPCOIS-CYBMUJFWSA-N -1 3 355.829 3.010 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N(Cc2cccc(O)c2)CC2CC2)c1 ZINC000123293799 495109632 /nfs/dbraw/zinc/10/96/32/495109632.db2.gz XZTTXLAMEGMWHN-UHFFFAOYSA-N -1 3 354.406 3.109 20 0 FGADHM CCCC(=O)N1CCC(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)CC1 ZINC000134188610 495119632 /nfs/dbraw/zinc/11/96/32/495119632.db2.gz KCEJEEXJGVDQKF-UHFFFAOYSA-N -1 3 358.360 3.388 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-]CC1(c2ccc(Cl)cc2)CC1 ZINC000119250399 495126578 /nfs/dbraw/zinc/12/65/78/495126578.db2.gz HXUUDFIBXFZNIU-UHFFFAOYSA-N -1 3 357.884 3.420 20 0 FGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)COc1ccc(Cl)cc1 ZINC000134290933 495130510 /nfs/dbraw/zinc/13/05/10/495130510.db2.gz VHLMAOHQFYMXAV-UHFFFAOYSA-N -1 3 352.774 3.085 20 0 FGADHM Cc1nc(C)c(CCC(=O)N[C@H](c2ccc(F)cc2F)C(C)C)c(=O)[n-]1 ZINC000119275486 495132047 /nfs/dbraw/zinc/13/20/47/495132047.db2.gz QPYPISIOXPSYCE-SFHVURJKSA-N -1 3 363.408 3.111 20 0 FGADHM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc([C@@H](C)N3CCOCC3)cc2)c1 ZINC000111994851 495134924 /nfs/dbraw/zinc/13/49/24/495134924.db2.gz FXZMKULWNDYAOD-QGZVFWFLSA-N -1 3 374.506 3.497 20 0 FGADHM Cc1nc(-c2ccsc2)ccc1C(=O)Nc1cc(-c2nccn2C)[n-]n1 ZINC000119295376 495135908 /nfs/dbraw/zinc/13/59/08/495135908.db2.gz VYLUFGISHVLMHL-UHFFFAOYSA-N -1 3 364.434 3.494 20 0 FGADHM Cc1nc(-c2ccsc2)ccc1C(=O)Nc1cc(-c2nccn2C)n[n-]1 ZINC000119295376 495135910 /nfs/dbraw/zinc/13/59/10/495135910.db2.gz VYLUFGISHVLMHL-UHFFFAOYSA-N -1 3 364.434 3.494 20 0 FGADHM CCC[C@@H](C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1)C(C)C ZINC000134344300 495137128 /nfs/dbraw/zinc/13/71/28/495137128.db2.gz NOXCKSPKQROFGS-CQSZACIVSA-N -1 3 356.488 3.468 20 0 FGADHM Cc1nc(C)c(CCC(=O)N2CCCc3ccc(Cl)c(C)c32)c(=O)[n-]1 ZINC000134411521 495145504 /nfs/dbraw/zinc/14/55/04/495145504.db2.gz MVGHVNBMCOPCKU-UHFFFAOYSA-N -1 3 359.857 3.261 20 0 FGADHM Cc1nc(C)c(CC(=O)Nc2ccccc2Oc2cccc(F)c2)c(=O)[n-]1 ZINC000119396648 495158625 /nfs/dbraw/zinc/15/86/25/495158625.db2.gz RAPIPJCWYUSUOO-UHFFFAOYSA-N -1 3 367.380 3.499 20 0 FGADHM CCCS(=O)(=O)Nc1cccc(NC(=O)c2ccc(C)cc2[O-])c1C ZINC000102836866 495165655 /nfs/dbraw/zinc/16/56/55/495165655.db2.gz ARBWSVVAYHRGKF-UHFFFAOYSA-N -1 3 362.451 3.413 20 0 FGADHM CCOC(=O)c1cnc(C(=O)[N-]c2cc(OC)ccc2F)c(Cl)c1 ZINC000119468918 495173508 /nfs/dbraw/zinc/17/35/08/495173508.db2.gz OOLIJBKOMDBRKA-UHFFFAOYSA-N -1 3 352.749 3.312 20 0 FGADHM O=C(Cc1ccc([O-])cc1Cl)N1CCO[C@@]2(CCc3ccccc32)C1 ZINC000119480429 495175163 /nfs/dbraw/zinc/17/51/63/495175163.db2.gz ZKRFAGVOIUZUJN-FQEVSTJZSA-N -1 3 357.837 3.289 20 0 FGADHM Cc1ccc(-c2cncc(C(=O)Nc3cc(-c4nccn4C)[n-]n3)c2)cc1 ZINC000119522265 495182254 /nfs/dbraw/zinc/18/22/54/495182254.db2.gz CPEAENAXFVEADN-UHFFFAOYSA-N -1 3 358.405 3.433 20 0 FGADHM Cc1ccc(-c2cncc(C(=O)Nc3cc(-c4nccn4C)n[n-]3)c2)cc1 ZINC000119522265 495182256 /nfs/dbraw/zinc/18/22/56/495182256.db2.gz CPEAENAXFVEADN-UHFFFAOYSA-N -1 3 358.405 3.433 20 0 FGADHM CN(C(=O)Cc1nc(=O)c2c3c(sc2[n-]1)CCCC3)c1ccccc1 ZINC000112404377 495185311 /nfs/dbraw/zinc/18/53/11/495185311.db2.gz MQWJLKFQCKFWOS-UHFFFAOYSA-N -1 3 353.447 3.069 20 0 FGADHM Cc1ccc(NC(=O)[C@H]2CCCN2c2ncnc3sccc32)c([O-])c1 ZINC000103186227 495202802 /nfs/dbraw/zinc/20/28/02/495202802.db2.gz NAFGMDJIPGJJMR-CQSZACIVSA-N -1 3 354.435 3.313 20 0 FGADHM C[C@]1(c2cccc(NC(=O)C[C@@H]3CCCC(C)(C)C3)c2)NC(=O)[N-]C1=O ZINC000119764036 495235894 /nfs/dbraw/zinc/23/58/94/495235894.db2.gz ZPJZTDZMGKGEBU-RNODOKPDSA-N -1 3 357.454 3.286 20 0 FGADHM Cn1ccnc1-c1cc(NC(=O)CCCOc2ccccc2Cl)n[n-]1 ZINC000119813171 495247673 /nfs/dbraw/zinc/24/76/73/495247673.db2.gz BCFHXBXMBSFXPX-UHFFFAOYSA-N -1 3 359.817 3.261 20 0 FGADHM Cn1ccnc1-c1cc(NC(=O)CCCOc2ccccc2Cl)[n-]n1 ZINC000119813171 495247674 /nfs/dbraw/zinc/24/76/74/495247674.db2.gz BCFHXBXMBSFXPX-UHFFFAOYSA-N -1 3 359.817 3.261 20 0 FGADHM Cc1ccc(OCCCC(=O)Nc2cc(-c3nccn3C)[n-]n2)cc1C ZINC000119857138 495256067 /nfs/dbraw/zinc/25/60/67/495256067.db2.gz KOODWEGLBULNLF-UHFFFAOYSA-N -1 3 353.426 3.225 20 0 FGADHM Cc1ccc(OCCCC(=O)Nc2cc(-c3nccn3C)n[n-]2)cc1C ZINC000119857138 495256070 /nfs/dbraw/zinc/25/60/70/495256070.db2.gz KOODWEGLBULNLF-UHFFFAOYSA-N -1 3 353.426 3.225 20 0 FGADHM CCCS(=O)(=O)[N-]c1cc(NC(=O)[C@@H]2C[C@]2(C)CC)c(F)cc1F ZINC000135278029 495271766 /nfs/dbraw/zinc/27/17/66/495271766.db2.gz JXAAXRGKXVEKCT-QFYYESIMSA-N -1 3 360.426 3.491 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)s1)c1cn(-c2ccccc2)nn1 ZINC000129644090 495275164 /nfs/dbraw/zinc/27/51/64/495275164.db2.gz WIPMLHVZESPMKQ-SNVBAGLBSA-N -1 3 368.871 3.022 20 0 FGADHM Cc1cc([C@@H](C)NC(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)c(C)s1 ZINC000124524786 495301663 /nfs/dbraw/zinc/30/16/63/495301663.db2.gz SXZQZHTYRCYJDK-SNVBAGLBSA-N -1 3 370.471 3.367 20 0 FGADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@H]2CCCC[C@@H]2C)cc1Cl ZINC000104732391 495301865 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361.250 3.184 20 0 FGADHM Cc1ccsc1[C@H]1C[C@@H]1C(=O)Nc1cc(C)ccc1[N-]S(C)(=O)=O ZINC000125595171 495468334 /nfs/dbraw/zinc/46/83/34/495468334.db2.gz HLGPYPADVCARSL-STQMWFEESA-N -1 3 364.492 3.479 20 0 FGADHM Cc1cc(Br)cc(C(=O)Nc2cc(-c3nccn3C)[n-]n2)c1 ZINC000139588359 495480198 /nfs/dbraw/zinc/48/01/98/495480198.db2.gz JXJCMJCPIOJVAY-UHFFFAOYSA-N -1 3 360.215 3.133 20 0 FGADHM Cc1cc(Br)cc(C(=O)Nc2cc(-c3nccn3C)n[n-]2)c1 ZINC000139588359 495480199 /nfs/dbraw/zinc/48/01/99/495480199.db2.gz JXJCMJCPIOJVAY-UHFFFAOYSA-N -1 3 360.215 3.133 20 0 FGADHM COc1cccc(C(=O)Nc2ccc(Cl)c(C[S@](C)=O)c2)c1[O-] ZINC000115270060 495482023 /nfs/dbraw/zinc/48/20/23/495482023.db2.gz CFDVZVIKRJFPOR-HSZRJFAPSA-N -1 3 353.827 3.185 20 0 FGADHM COc1ccc([O-])c(C(=O)Nc2cccn(Cc3ccc(F)cc3)c2=O)c1 ZINC000120911682 495483784 /nfs/dbraw/zinc/48/37/84/495483784.db2.gz SZCRNIWGYPDAFG-UHFFFAOYSA-N -1 3 368.364 3.002 20 0 FGADHM C[C@@H](NC(=O)NCc1ccc([O-])c(Br)c1)c1cccc(O)c1 ZINC000140177345 495490239 /nfs/dbraw/zinc/49/02/39/495490239.db2.gz IZWXKBNVRCCWQA-SNVBAGLBSA-N -1 3 365.227 3.421 20 0 FGADHM COc1cc(CNC(=O)c2ccccc2[O-])ccc1OCC(F)(F)F ZINC000125765933 495495946 /nfs/dbraw/zinc/49/59/46/495495946.db2.gz DTKFHXBHNXOTMB-UHFFFAOYSA-N -1 3 355.312 3.272 20 0 FGADHM COC(=O)C1CCC([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000106892803 495507653 /nfs/dbraw/zinc/50/76/53/495507653.db2.gz XJXOMWOPVOAJMM-UHFFFAOYSA-N -1 3 366.266 3.004 20 0 FGADHM C[C@@H](Cc1nc2ccccc2s1)[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000121056220 495514325 /nfs/dbraw/zinc/51/43/25/495514325.db2.gz XEHSRJHAJGKIKB-JTQLQIEISA-N -1 3 368.430 3.484 20 0 FGADHM CCC[C@H](C)CS(=O)(=O)[N-]Cc1nc(-c2cccc(Cl)c2)no1 ZINC000115584268 495519783 /nfs/dbraw/zinc/51/97/83/495519783.db2.gz JMFNCTJEIKZNRX-NSHDSACASA-N -1 3 357.863 3.246 20 0 FGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@@H]1c2ccccc2CC[C@H]1C ZINC000179308353 495537209 /nfs/dbraw/zinc/53/72/09/495537209.db2.gz BJABHYAIMDAMEX-ABAIWWIYSA-N -1 3 365.476 3.137 20 0 FGADHM CC(C)(C)c1ccccc1C(=O)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000154191177 495539492 /nfs/dbraw/zinc/53/94/92/495539492.db2.gz MSLLJOMOBAQFLB-UHFFFAOYSA-N -1 3 366.461 3.288 20 0 FGADHM COc1cc(OC)c(NC(=O)c2cccc([O-])c2)cc1Br ZINC000154247083 495556343 /nfs/dbraw/zinc/55/63/43/495556343.db2.gz CAKRATRHPWVHPT-UHFFFAOYSA-N -1 3 352.184 3.424 20 0 FGADHM O=C([N-]c1nnc(-c2ccco2)s1)c1ccn(-c2cccc(F)c2)n1 ZINC000146210877 495563708 /nfs/dbraw/zinc/56/37/08/495563708.db2.gz UINNDXKFMCSCJV-UHFFFAOYSA-N -1 3 355.354 3.375 20 0 FGADHM C[C@@H](c1ccccc1)N1CCC(NC(=O)c2cccc(C(=O)[O-])c2)CC1 ZINC000571680616 505789533 /nfs/dbraw/zinc/78/95/33/505789533.db2.gz ZSYWSORSPHGVJP-HNNXBMFYSA-N -1 3 352.434 3.340 20 0 FGADHM O=C(Nc1ccc2c(c1)CCN2C(=O)c1cccnc1)c1cccc([O-])c1 ZINC000182446649 495566824 /nfs/dbraw/zinc/56/68/24/495566824.db2.gz WLSGZEQSIKVWGQ-UHFFFAOYSA-N -1 3 359.385 3.242 20 0 FGADHM C[C@@H]1CN(Cc2ccc(CNCc3cc([O-])cc(F)c3)cc2)C[C@H](C)O1 ZINC000185458195 495584529 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CS(=O)(=O)[N-]c1cc(NC(=O)[C@@H](c2ccccc2)C2CC2)ccc1F ZINC000179565115 495643214 /nfs/dbraw/zinc/64/32/14/495643214.db2.gz ZBHDGXGWHZSHKY-KRWDZBQOSA-N -1 3 362.426 3.330 20 0 FGADHM Cc1nc(S(=O)(=O)[N-]C2(c3cccc(C(F)(F)F)c3)CCC2)cn1C ZINC000173691595 495649709 /nfs/dbraw/zinc/64/97/09/495649709.db2.gz PIVUOKRXMKWQAF-UHFFFAOYSA-N -1 3 373.400 3.105 20 0 FGADHM Cc1ccc(Oc2ccc([N-]S(=O)(=O)CCOC(C)C)cn2)cc1 ZINC000176463795 495658909 /nfs/dbraw/zinc/65/89/09/495658909.db2.gz SYJODLKGMXCNNG-UHFFFAOYSA-N -1 3 350.440 3.349 20 0 FGADHM CN(Cc1nc(C(F)(F)F)cs1)C(=O)c1c[n-]c2ccccc2c1=O ZINC000173718069 495661300 /nfs/dbraw/zinc/66/13/00/495661300.db2.gz FGBXTAGRMCJDQM-UHFFFAOYSA-N -1 3 367.352 3.276 20 0 FGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1cccc(CC(F)(F)F)c1 ZINC000176473707 495663264 /nfs/dbraw/zinc/66/32/64/495663264.db2.gz JZCCDIYOZWBXLB-UHFFFAOYSA-N -1 3 357.357 3.157 20 0 FGADHM CCc1ccccc1-n1cnnc1SCC(=O)Nc1cc(F)ccc1[O-] ZINC000179644579 495675188 /nfs/dbraw/zinc/67/51/88/495675188.db2.gz 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3.466 20 0 FGADHM O=S(=O)(Cc1c(F)cccc1F)[N-]Cc1coc(-c2cccs2)n1 ZINC000179939451 495792281 /nfs/dbraw/zinc/79/22/81/495792281.db2.gz CGHICLOPESZBOX-UHFFFAOYSA-N -1 3 370.402 3.301 20 0 FGADHM O=C(Nc1nnc(-c2ccccn2)[n-]1)[C@H]1C[C@H]1c1c(F)cccc1Cl ZINC000151290634 495795872 /nfs/dbraw/zinc/79/58/72/495795872.db2.gz KMYXSHMPLVISGT-ZJUUUORDSA-N -1 3 357.776 3.401 20 0 FGADHM O=C(Nc1nc(-c2ccccn2)n[n-]1)[C@H]1C[C@H]1c1c(F)cccc1Cl ZINC000151290634 495795876 /nfs/dbraw/zinc/79/58/76/495795876.db2.gz KMYXSHMPLVISGT-ZJUUUORDSA-N -1 3 357.776 3.401 20 0 FGADHM O=C(Nc1n[n-]c(-c2ccccn2)n1)[C@H]1C[C@H]1c1c(F)cccc1Cl ZINC000151290634 495795880 /nfs/dbraw/zinc/79/58/80/495795880.db2.gz KMYXSHMPLVISGT-ZJUUUORDSA-N -1 3 357.776 3.401 20 0 FGADHM COc1nnc(NC(=O)CCC(=O)c2ccc(-c3ccccc3)cc2)[n-]1 ZINC000183007260 495796821 /nfs/dbraw/zinc/79/68/21/495796821.db2.gz YWZYHVYDQCLQMY-UHFFFAOYSA-N -1 3 350.378 3.082 20 0 FGADHM COc1nc(NC(=O)CCC(=O)c2ccc(-c3ccccc3)cc2)n[n-]1 ZINC000183007260 495796827 /nfs/dbraw/zinc/79/68/27/495796827.db2.gz YWZYHVYDQCLQMY-UHFFFAOYSA-N -1 3 350.378 3.082 20 0 FGADHM COc1n[n-]c(NC(=O)CCC(=O)c2ccc(-c3ccccc3)cc2)n1 ZINC000183007260 495796832 /nfs/dbraw/zinc/79/68/32/495796832.db2.gz YWZYHVYDQCLQMY-UHFFFAOYSA-N -1 3 350.378 3.082 20 0 FGADHM Cc1cscc1NC(=O)CS(=O)(=O)[N-]c1ccc(OC(C)C)cc1 ZINC000151341445 495809559 /nfs/dbraw/zinc/80/95/59/495809559.db2.gz JSLCBSXERBIDGY-UHFFFAOYSA-N -1 3 368.480 3.224 20 0 FGADHM Cc1cscc1NC(=O)[C@@H]([N-]S(=O)(=O)c1ccccc1F)C(C)C ZINC000151344480 495810461 /nfs/dbraw/zinc/81/04/61/495810461.db2.gz YYVOBAYSTOHFAR-HNNXBMFYSA-N -1 3 370.471 3.137 20 0 FGADHM Cc1noc(C)c1S(=O)(=O)[N-]C[C@H]1CCCO[C@@H]1c1ccc(C)cc1 ZINC000174081011 495814130 /nfs/dbraw/zinc/81/41/30/495814130.db2.gz UFJQUOXGBYHMJS-IAGOWNOFSA-N -1 3 364.467 3.046 20 0 FGADHM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3cccc(C)c3F)cc2C[C@@H]1C ZINC000180022965 495827777 /nfs/dbraw/zinc/82/77/77/495827777.db2.gz NOXXYFYINJWJPR-LBPRGKRZSA-N -1 3 362.426 3.232 20 0 FGADHM CCN(CC(=O)Nc1c(C)cccc1C)C(=O)c1ccc(OC)cc1[O-] ZINC000174126609 495830320 /nfs/dbraw/zinc/83/03/20/495830320.db2.gz GDZSTDSSTJHMAU-UHFFFAOYSA-N -1 3 356.422 3.118 20 0 FGADHM CC[C@@H](NC(=O)c1cccc2nn[n-]c21)c1nc(C(F)(F)F)cs1 ZINC000180107598 495861528 /nfs/dbraw/zinc/86/15/28/495861528.db2.gz RQAKNIIVTQVQAN-MRVPVSSYSA-N -1 3 355.345 3.314 20 0 FGADHM CC[C@@H](NC(=O)c1cccc2[n-]nnc21)c1nc(C(F)(F)F)cs1 ZINC000180107598 495861532 /nfs/dbraw/zinc/86/15/32/495861532.db2.gz RQAKNIIVTQVQAN-MRVPVSSYSA-N -1 3 355.345 3.314 20 0 FGADHM CC[C@@H](NC(=O)c1cccc2n[n-]nc21)c1nc(C(F)(F)F)cs1 ZINC000180107598 495861534 /nfs/dbraw/zinc/86/15/34/495861534.db2.gz RQAKNIIVTQVQAN-MRVPVSSYSA-N -1 3 355.345 3.314 20 0 FGADHM C[C@@H](Oc1cccc(Br)c1)C(=O)NCc1ccc([O-])c(F)c1 ZINC000174207822 495864720 /nfs/dbraw/zinc/86/47/20/495864720.db2.gz VZIJMPCWRMMJOF-SNVBAGLBSA-N -1 3 368.202 3.378 20 0 FGADHM C[C@H]1CCN(C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)[C@@H]1c1cccc(F)c1 ZINC000176978006 495867516 /nfs/dbraw/zinc/86/75/16/495867516.db2.gz JANZIHCIRHMSNV-GTNSWQLSSA-N -1 3 367.380 3.324 20 0 FGADHM CC(C)(C)C(=O)Cn1cc(C(=O)Nc2cc(C(C)(C)C)ccc2[O-])nn1 ZINC000176987004 495872881 /nfs/dbraw/zinc/87/28/81/495872881.db2.gz CWZCMXRULQQWKL-UHFFFAOYSA-N -1 3 358.442 3.149 20 0 FGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H](c2cccnc2)C(C)C)c1 ZINC000177021538 495887464 /nfs/dbraw/zinc/88/74/64/495887464.db2.gz UHOFILLJXAXAOW-OAHLLOKOSA-N -1 3 368.886 3.462 20 0 FGADHM CCC(CC)[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000186183584 495888474 /nfs/dbraw/zinc/88/84/74/495888474.db2.gz DTLAJNMLYYFETE-LBPRGKRZSA-N -1 3 361.891 3.222 20 0 FGADHM C[C@H](CC(=O)NCCNC(=O)c1ccc([O-])cc1)Cc1ccc(Cl)cc1 ZINC000180192779 495899525 /nfs/dbraw/zinc/89/95/25/495899525.db2.gz QKITUDUARGJCIY-AWEZNQCLSA-N -1 3 374.868 3.161 20 0 FGADHM NC(=O)c1ccc(C(=O)[N-]c2nnc(CC3CCCCC3)s2)s1 ZINC000171492200 495899740 /nfs/dbraw/zinc/89/97/40/495899740.db2.gz UELFIGMWTGMOEK-UHFFFAOYSA-N -1 3 350.469 3.074 20 0 FGADHM CC(=O)N[C@@H](CC(=O)Nc1ccc([O-])cc1F)c1ccc(Cl)cc1 ZINC000183257336 495903596 /nfs/dbraw/zinc/90/35/96/495903596.db2.gz DQMQQPXRTXZSQM-INIZCTEOSA-N -1 3 350.777 3.391 20 0 FGADHM Cc1ccccc1CN1CCC(NC(=O)c2cc(F)c([O-])c(F)c2)CC1 ZINC000177078843 495915403 /nfs/dbraw/zinc/91/54/03/495915403.db2.gz CUZSBUSLKHZMQW-UHFFFAOYSA-N -1 3 360.404 3.373 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)N1CCO[C@@H](CCc2ccccc2)C1 ZINC000186261423 495918165 /nfs/dbraw/zinc/91/81/65/495918165.db2.gz HWGHQHKSRJMXED-KRWDZBQOSA-N -1 3 358.413 3.075 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3nc(C)ncc3Cl)c2)n1 ZINC000151687504 495919361 /nfs/dbraw/zinc/91/93/61/495919361.db2.gz VODLNXHHCKSUID-UHFFFAOYSA-N -1 3 369.812 3.003 20 0 FGADHM CC(C)CNC(=O)N1CCC[C@@H](C(=O)N2CC[C@@H](C)c3cccc([O-])c32)C1 ZINC000186271438 495922752 /nfs/dbraw/zinc/92/27/52/495922752.db2.gz UQLJJSVOYTZGBG-HZPDHXFCSA-N -1 3 373.497 3.310 20 0 FGADHM Cc1cccc(F)c1S(=O)(=O)[N-]CC1(c2ccccc2)CCOCC1 ZINC000186274249 495923368 /nfs/dbraw/zinc/92/33/68/495923368.db2.gz SNAVOSNTMWJKEJ-UHFFFAOYSA-N -1 3 363.454 3.161 20 0 FGADHM C[C@@H]1CCN(C(=O)CCn2cnc3ccccc3c2=O)c2c([O-])cccc21 ZINC000186289427 495930666 /nfs/dbraw/zinc/93/06/66/495930666.db2.gz LCRHNPOKAXQEBE-CQSZACIVSA-N -1 3 363.417 3.033 20 0 FGADHM CCC(=O)Nc1ccc(Cl)c(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000571775256 505812822 /nfs/dbraw/zinc/81/28/22/505812822.db2.gz ZHHXQLUQGGGFQB-UHFFFAOYSA-N -1 3 360.801 3.314 20 0 FGADHM C[C@H]1CCN(C(=O)c2cc(N3CCNC3=O)ccc2F)c2c([O-])cccc21 ZINC000186330248 495950349 /nfs/dbraw/zinc/95/03/49/495950349.db2.gz REAZGKSQMBFDHJ-LBPRGKRZSA-N -1 3 369.396 3.215 20 0 FGADHM Cc1ccc(CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)c(C)n1 ZINC000186337429 495954454 /nfs/dbraw/zinc/95/44/54/495954454.db2.gz FEMJSQYPYYRLGY-UHFFFAOYSA-N -1 3 363.446 3.413 20 0 FGADHM COc1ncc(C)cc1NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000151830076 495961849 /nfs/dbraw/zinc/96/18/49/495961849.db2.gz RYOKPYDBEGHZJG-UHFFFAOYSA-N -1 3 366.215 3.188 20 0 FGADHM CCO[C@H](C)c1nc(CN(C)C(=O)c2cc(OC)ccc2[O-])cs1 ZINC000174548682 496005178 /nfs/dbraw/zinc/00/51/78/496005178.db2.gz QKOBLQDAJGNLGK-LLVKDONJSA-N -1 3 350.440 3.227 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N3CCCC[C@@H]3[C@H]3CCC[C@@H]3O)c[n-]c12 ZINC000568958992 505818242 /nfs/dbraw/zinc/81/82/42/505818242.db2.gz YOCMTBJRNXAESE-OLMNPRSZSA-N -1 3 372.440 3.131 20 0 FGADHM O=C([C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2)N1CCCc2cccc([O-])c21 ZINC000155613911 496013477 /nfs/dbraw/zinc/01/34/77/496013477.db2.gz CDBWJVFCEIPXTM-HZPDHXFCSA-N -1 3 351.402 3.246 20 0 FGADHM CS(=O)(=O)c1ccc(F)c([N-]C(=O)c2sccc2OC(F)F)c1 ZINC000171739607 496014342 /nfs/dbraw/zinc/01/43/42/496014342.db2.gz JROMUUMRSGKARD-UHFFFAOYSA-N -1 3 365.354 3.144 20 0 FGADHM O=C(c1cccc2[n-]nnc21)N(CCc1ccccc1)Cc1cccnc1 ZINC000183546660 496025772 /nfs/dbraw/zinc/02/57/72/496025772.db2.gz BGEGSJLEQOUKPL-UHFFFAOYSA-N -1 3 357.417 3.238 20 0 FGADHM O=C(c1cccc2nn[n-]c21)N(CCc1ccccc1)Cc1cccnc1 ZINC000183546660 496025773 /nfs/dbraw/zinc/02/57/73/496025773.db2.gz BGEGSJLEQOUKPL-UHFFFAOYSA-N -1 3 357.417 3.238 20 0 FGADHM O=C(c1cccc2n[n-]nc21)N(CCc1ccccc1)Cc1cccnc1 ZINC000183546660 496025779 /nfs/dbraw/zinc/02/57/79/496025779.db2.gz BGEGSJLEQOUKPL-UHFFFAOYSA-N -1 3 357.417 3.238 20 0 FGADHM Cc1cccc(S(=O)(=O)[N-]c2ccc(OCc3nccn3C)cc2)c1 ZINC000171779422 496034267 /nfs/dbraw/zinc/03/42/67/496034267.db2.gz GNKWJUGJTKFMHU-UHFFFAOYSA-N -1 3 357.435 3.108 20 0 FGADHM COc1cc(CCC(=O)Nc2ccc(Cc3nnn[n-]3)cc2)ccc1Cl ZINC000160784324 496041095 /nfs/dbraw/zinc/04/10/95/496041095.db2.gz LFNJXVXGHPPHCG-UHFFFAOYSA-N -1 3 371.828 3.024 20 0 FGADHM COc1cc(CCC(=O)Nc2ccc(Cc3nn[n-]n3)cc2)ccc1Cl ZINC000160784324 496041098 /nfs/dbraw/zinc/04/10/98/496041098.db2.gz LFNJXVXGHPPHCG-UHFFFAOYSA-N -1 3 371.828 3.024 20 0 FGADHM O=C(NCCc1nc(C2CCCCC2)cs1)c1cccc2nn[n-]c21 ZINC000183603762 496044621 /nfs/dbraw/zinc/04/46/21/496044621.db2.gz WVZCXOIQOLNMEK-UHFFFAOYSA-N -1 3 355.467 3.435 20 0 FGADHM O=C(NCCc1nc(C2CCCCC2)cs1)c1cccc2[n-]nnc21 ZINC000183603762 496044623 /nfs/dbraw/zinc/04/46/23/496044623.db2.gz WVZCXOIQOLNMEK-UHFFFAOYSA-N -1 3 355.467 3.435 20 0 FGADHM O=C(NCCc1nc(C2CCCCC2)cs1)c1cccc2n[n-]nc21 ZINC000183603762 496044624 /nfs/dbraw/zinc/04/46/24/496044624.db2.gz WVZCXOIQOLNMEK-UHFFFAOYSA-N -1 3 355.467 3.435 20 0 FGADHM COc1cc(C(=O)NCc2ccccc2N2CCCCC2)cc(OC)c1[O-] ZINC000183607101 496045602 /nfs/dbraw/zinc/04/56/02/496045602.db2.gz XVEGQAFDQRSSLM-UHFFFAOYSA-N -1 3 370.449 3.330 20 0 FGADHM CC(=O)NC[C@H]1CCCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC000177402312 496049477 /nfs/dbraw/zinc/04/94/77/496049477.db2.gz VMRQYMUZGAQAAD-MRXNPFEDSA-N -1 3 368.433 3.173 20 0 FGADHM CCCN(C(=O)Cc1csc(NC(=O)c2cccc([O-])c2)n1)C1CC1 ZINC000177406128 496050622 /nfs/dbraw/zinc/05/06/22/496050622.db2.gz KYQXEJXYRGQLJL-UHFFFAOYSA-N -1 3 359.451 3.045 20 0 FGADHM COc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCOc3ccc(F)cc32)c1 ZINC000171835509 496056651 /nfs/dbraw/zinc/05/66/51/496056651.db2.gz QGYFUDPJPIIGKR-CQSZACIVSA-N -1 3 371.817 3.290 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N[C@H]3[C@H]4CCO[C@@H]4C34CCCC4)c[n-]c12 ZINC000152179397 496072991 /nfs/dbraw/zinc/07/29/91/496072991.db2.gz MFIVAZMLKYUCAD-VMDGZTHMSA-N -1 3 370.424 3.053 20 0 FGADHM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)c2c[nH]c3cccc(F)c32)o1 ZINC000186622567 496077710 /nfs/dbraw/zinc/07/77/10/496077710.db2.gz RCSBVISXSCTRKP-CQSZACIVSA-N -1 3 366.414 3.128 20 0 FGADHM CCCN(C(=O)[C@@H]1[C@H](C(=O)[O-])C1(C)C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000580718332 505822115 /nfs/dbraw/zinc/82/21/15/505822115.db2.gz TZTVOIDHOPTBOG-GBESFXJTSA-N -1 3 372.509 3.246 20 0 FGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)[C@@H]1COc2cc(C)c(C)cc21 ZINC000186657195 496093801 /nfs/dbraw/zinc/09/38/01/496093801.db2.gz GDCPZUIEOYQRRM-CYBMUJFWSA-N -1 3 358.394 3.145 20 0 FGADHM Cc1ccc(C(=O)N[C@H](C)C(=O)Nc2cccc(N3CCCC3)c2)c([O-])c1 ZINC000155888303 496098517 /nfs/dbraw/zinc/09/85/17/496098517.db2.gz QNTNBLIJZJRLBS-OAHLLOKOSA-N -1 3 367.449 3.058 20 0 FGADHM O=C(CC1CCC(C(F)(F)F)CC1)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000180677269 496101005 /nfs/dbraw/zinc/10/10/05/496101005.db2.gz VHMGUFOIFLSIFT-UHFFFAOYSA-N -1 3 367.375 3.242 20 0 FGADHM O=C(CC1CCC(C(F)(F)F)CC1)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000180677269 496101010 /nfs/dbraw/zinc/10/10/10/496101010.db2.gz VHMGUFOIFLSIFT-UHFFFAOYSA-N -1 3 367.375 3.242 20 0 FGADHM C[C@H](CSc1ccc(F)cc1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000152291122 496105982 /nfs/dbraw/zinc/10/59/82/496105982.db2.gz KGDYNWRDHCBWIC-LLVKDONJSA-N -1 3 357.414 3.373 20 0 FGADHM C[C@H](CSc1ccc(F)cc1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000152291122 496105989 /nfs/dbraw/zinc/10/59/89/496105989.db2.gz KGDYNWRDHCBWIC-LLVKDONJSA-N -1 3 357.414 3.373 20 0 FGADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]C1CCCCC1 ZINC000155967528 496120473 /nfs/dbraw/zinc/12/04/73/496120473.db2.gz BXBNCDMLEGGDHG-UHFFFAOYSA-N -1 3 353.465 3.299 20 0 FGADHM COc1cc(C(=O)[N-]c2cc(C(=O)N3CCCCC3)ccc2Cl)on1 ZINC000183812654 496124971 /nfs/dbraw/zinc/12/49/71/496124971.db2.gz WOLDDTICEZGZRQ-UHFFFAOYSA-N -1 3 363.801 3.215 20 0 FGADHM Cc1nc(C(=O)[N-]c2cc(S(C)(=O)=O)ccc2F)c(-c2ccccc2)o1 ZINC000183822565 496127133 /nfs/dbraw/zinc/12/71/33/496127133.db2.gz AXTVPLKPRKFFAU-UHFFFAOYSA-N -1 3 374.393 3.445 20 0 FGADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)c2cccc3ccccc32)c(C)o1 ZINC000177640648 496142660 /nfs/dbraw/zinc/14/26/60/496142660.db2.gz VSKBOPZTRFOGBU-GFCCVEGCSA-N -1 3 372.446 3.140 20 0 FGADHM O=C(Cc1ccc([O-])cc1Cl)NCCNc1ccc2ccccc2n1 ZINC000152473146 496161007 /nfs/dbraw/zinc/16/10/07/496161007.db2.gz RNLRVMFNBNAHJV-UHFFFAOYSA-N -1 3 355.825 3.365 20 0 FGADHM O=C([N-]OCCC(F)(F)F)Nc1cccc(I)c1 ZINC000156120492 496163063 /nfs/dbraw/zinc/16/30/63/496163063.db2.gz LVSFHHUOXXWBGH-UHFFFAOYSA-N -1 3 374.100 3.297 20 0 FGADHM [O-]C(=NOCCC(F)(F)F)Nc1cccc(I)c1 ZINC000156120492 496163060 /nfs/dbraw/zinc/16/30/60/496163060.db2.gz LVSFHHUOXXWBGH-UHFFFAOYSA-N -1 3 374.100 3.297 20 0 FGADHM CN(C(=O)c1cc(F)c([O-])c(F)c1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000186845370 496178865 /nfs/dbraw/zinc/17/88/65/496178865.db2.gz CIXBWOWTUFVWON-MRXNPFEDSA-N -1 3 360.404 3.407 20 0 FGADHM CCOc1cc(C(=O)N2[C@@H]3CC[C@H]2CN(CC)CC3)cc(Cl)c1[O-] ZINC000186854752 496182467 /nfs/dbraw/zinc/18/24/67/496182467.db2.gz CPHGAOYFACVYHV-KGLIPLIRSA-N -1 3 352.862 3.143 20 0 FGADHM O=C(Cc1ccc([O-])cc1Cl)Nc1n[nH]c(Cc2cccc(F)c2)n1 ZINC000180879130 496183377 /nfs/dbraw/zinc/18/33/77/496183377.db2.gz LNBFYWHGSBVJHW-UHFFFAOYSA-N -1 3 360.776 3.075 20 0 FGADHM Cc1cc(-c2noc([C@H](C)S(=O)(=O)c3cccc([O-])c3)n2)ccc1F ZINC000183976118 496185527 /nfs/dbraw/zinc/18/55/27/496185527.db2.gz DXVONWMXLLKABR-NSHDSACASA-N -1 3 362.382 3.425 20 0 FGADHM C[C@H](O)C[C@H]1CCCN1Cc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000152560662 496188966 /nfs/dbraw/zinc/18/89/66/496188966.db2.gz OHCXRZFHKXGOFU-DZGCQCFKSA-N -1 3 369.490 3.387 20 0 FGADHM CC[C@H](NCC[N-]S(=O)(=O)c1cccs1)c1ccc(F)cc1F ZINC000161535857 496194161 /nfs/dbraw/zinc/19/41/61/496194161.db2.gz YPRAHKZNCDBBRG-AWEZNQCLSA-N -1 3 360.451 3.046 20 0 FGADHM CC(C)Cn1cnc(S(=O)(=O)[N-][C@H](C)c2nc(C(C)(C)C)cs2)c1 ZINC000175005553 496203991 /nfs/dbraw/zinc/20/39/91/496203991.db2.gz QULXBNPGJGWGSJ-GFCCVEGCSA-N -1 3 370.544 3.333 20 0 FGADHM O=[S@](Cc1cc2c(cc1Br)OCO2)c1cccc([O-])c1 ZINC000184034490 496211994 /nfs/dbraw/zinc/21/19/94/496211994.db2.gz IKSWOYJLKYAFBF-HXUWFJFHSA-N -1 3 355.209 3.191 20 0 FGADHM C[C@H](C(=O)Nc1ccc(Br)cc1)[S@@](=O)c1cccc([O-])c1 ZINC000184060505 496222621 /nfs/dbraw/zinc/22/26/21/496222621.db2.gz YYRJZVUYWDPLJO-LADRHHBVSA-N -1 3 368.252 3.290 20 0 FGADHM O=C(c1ccc2c(c1)C(=O)[N-]C2=O)N1CCC[C@@H]1CCCc1ccccc1 ZINC000156419023 496240498 /nfs/dbraw/zinc/24/04/98/496240498.db2.gz NYKZMBYAPFFHTN-KRWDZBQOSA-N -1 3 362.429 3.198 20 0 FGADHM CCOC(=O)c1sc([C@H](C)[N-]S(=O)(=O)c2ccc(C)s2)nc1C ZINC000152765288 496250053 /nfs/dbraw/zinc/25/00/53/496250053.db2.gz REZXVRUDAYPMLN-JTQLQIEISA-N -1 3 374.509 3.038 20 0 FGADHM C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)c1ccc2n[n-]nc2c1 ZINC000187025488 496257267 /nfs/dbraw/zinc/25/72/67/496257267.db2.gz LZOAYYSILIWZFG-PIGZYNQJSA-N -1 3 356.813 3.214 20 0 FGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H]2CCCO[C@@H]2C(C)C)c1 ZINC000175131315 496259962 /nfs/dbraw/zinc/25/99/62/496259962.db2.gz CNFYXYYMMRUERP-MLGOLLRUSA-N -1 3 361.891 3.078 20 0 FGADHM Cc1ccnc2nc(C(=O)[N-]c3nc4c(s3)C[C@H](C(C)(C)C)CC4)nn21 ZINC000181087620 496265147 /nfs/dbraw/zinc/26/51/47/496265147.db2.gz SUKRUKATQDCQCN-LLVKDONJSA-N -1 3 370.482 3.293 20 0 FGADHM Cc1ccnc2nc(C(=O)[N-]c3nc4c(s3)C[C@@H](C(C)(C)C)CC4)nn21 ZINC000181087641 496265332 /nfs/dbraw/zinc/26/53/32/496265332.db2.gz SUKRUKATQDCQCN-NSHDSACASA-N -1 3 370.482 3.293 20 0 FGADHM CC(=O)N1CC[C@@H](NC(=O)c2ccc(C)cc2[O-])c2ccc(F)cc2C1 ZINC000184163096 496266215 /nfs/dbraw/zinc/26/62/15/496266215.db2.gz UATWRSSPCMDWFF-GOSISDBHSA-N -1 3 356.397 3.063 20 0 FGADHM O=C1[C@H]([N-]c2nnc(C(F)(F)F)s2)CCCN1Cc1ccccc1 ZINC000156517271 496266642 /nfs/dbraw/zinc/26/66/42/496266642.db2.gz PGCVEKAGEKLNGW-LLVKDONJSA-N -1 3 356.373 3.160 20 0 FGADHM CCC1(C(=O)Nc2ccc([N-]S(=O)(=O)CC)c(OC)c2)CCCC1 ZINC000156523845 496268742 /nfs/dbraw/zinc/26/87/42/496268742.db2.gz ZJUSBMUISILUIK-UHFFFAOYSA-N -1 3 354.472 3.366 20 0 FGADHM CSCCN(C)C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000184172224 496270107 /nfs/dbraw/zinc/27/01/07/496270107.db2.gz KAMMFOBLWDISGD-SFHVURJKSA-N -1 3 372.490 3.075 20 0 FGADHM CC[C@@H]([N-]S(=O)(=O)c1cccc(F)c1C(=O)OC)c1cccs1 ZINC000156667676 496306703 /nfs/dbraw/zinc/30/67/03/496306703.db2.gz IIMOQNLABUAMOR-LLVKDONJSA-N -1 3 357.428 3.103 20 0 FGADHM Cc1nc(C)c(CCC(=O)Nc2ccc(OCCC(C)C)cc2)c(=O)[n-]1 ZINC000175281684 496322258 /nfs/dbraw/zinc/32/22/58/496322258.db2.gz RVOYYRKDTGJSGM-UHFFFAOYSA-N -1 3 357.454 3.383 20 0 FGADHM Cn1cc(C(=O)[N-]c2nnc(C(F)(F)F)s2)c(-c2cccs2)n1 ZINC000153016473 496327311 /nfs/dbraw/zinc/32/73/11/496327311.db2.gz DEKDJMSIRPCZRW-UHFFFAOYSA-N -1 3 359.358 3.271 20 0 FGADHM C[C@@H](O)C[C@@H]1CCCN1Cc1nc(=O)c2cc(-c3ccccc3)sc2[n-]1 ZINC000153089509 496349380 /nfs/dbraw/zinc/34/93/80/496349380.db2.gz DVPRZZXZXUVJGO-HIFRSBDPSA-N -1 3 369.490 3.387 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)[C@H](C)Cc3ccc(OC)cc3)[n-]c21 ZINC000162448093 496355079 /nfs/dbraw/zinc/35/50/79/496355079.db2.gz GZPKJJCYWDFVIW-GFCCVEGCSA-N -1 3 367.405 3.175 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@H](C)Cc3ccc(OC)cc3)nc21 ZINC000162448093 496355088 /nfs/dbraw/zinc/35/50/88/496355088.db2.gz GZPKJJCYWDFVIW-GFCCVEGCSA-N -1 3 367.405 3.175 20 0 FGADHM COc1ccccc1-c1nc(NC(=O)[C@@H]2C[C@]23CCc2ccccc23)n[n-]1 ZINC000175361525 496357421 /nfs/dbraw/zinc/35/74/21/496357421.db2.gz KFXZCAYQNWZPEH-KKSFZXQISA-N -1 3 360.417 3.323 20 0 FGADHM Cc1cc(C(=O)N[C@H]2CCCN([C@H](C)c3ccc(F)cc3)C2=O)ccc1[O-] ZINC000571889924 505839811 /nfs/dbraw/zinc/83/98/11/505839811.db2.gz LFHLUHLYMITMKA-KDOFPFPSSA-N -1 3 370.424 3.322 20 0 FGADHM Cc1cc(C(=O)N[C@@H]2CCCN([C@H](C)c3ccc(F)cc3)C2=O)ccc1[O-] ZINC000571889926 505839623 /nfs/dbraw/zinc/83/96/23/505839623.db2.gz LFHLUHLYMITMKA-RDTXWAMCSA-N -1 3 370.424 3.322 20 0 FGADHM C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)c2cccc3nn[n-]c32)cc1 ZINC000187279946 496375218 /nfs/dbraw/zinc/37/52/18/496375218.db2.gz NXEYPYYBUWNCOS-ZDUSSCGKSA-N -1 3 363.421 3.225 20 0 FGADHM C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)c2cccc3[n-]nnc32)cc1 ZINC000187279946 496375223 /nfs/dbraw/zinc/37/52/23/496375223.db2.gz NXEYPYYBUWNCOS-ZDUSSCGKSA-N -1 3 363.421 3.225 20 0 FGADHM C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)c2cccc3n[n-]nc32)cc1 ZINC000187279946 496375226 /nfs/dbraw/zinc/37/52/26/496375226.db2.gz NXEYPYYBUWNCOS-ZDUSSCGKSA-N -1 3 363.421 3.225 20 0 FGADHM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cc2c(cc1F)NC(=O)CC2 ZINC000156989778 496380297 /nfs/dbraw/zinc/38/02/97/496380297.db2.gz PRPYBBIUMCFHER-UHFFFAOYSA-N -1 3 368.817 3.473 20 0 FGADHM O=S(=O)([N-]C1CCN(C2CCCCC2)CC1)c1cc(F)ccc1F ZINC000175416334 496381982 /nfs/dbraw/zinc/38/19/82/496381982.db2.gz PJMFFJARLMDRME-UHFFFAOYSA-N -1 3 358.454 3.040 20 0 FGADHM CN(C)C[C@H](Cc1ccccc1)NC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000187307190 496386369 /nfs/dbraw/zinc/38/63/69/496386369.db2.gz YVQIQOYBGIEVDU-AWEZNQCLSA-N -1 3 350.821 3.087 20 0 FGADHM COc1c(Cl)cc(Cl)cc1CN(CCC(=O)[O-])C1CCOCC1 ZINC000578012661 505841385 /nfs/dbraw/zinc/84/13/85/505841385.db2.gz SKEAKRAPSLRMHJ-UHFFFAOYSA-N -1 3 362.253 3.458 20 0 FGADHM CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cc(C)ccc1[O-] ZINC000175457975 496400795 /nfs/dbraw/zinc/40/07/95/496400795.db2.gz HSWSGQRDTWYJGS-UHFFFAOYSA-N -1 3 369.465 3.103 20 0 FGADHM C[C@]1(C(=O)Nc2cc(F)ccc2[O-])CCCN(C(=O)c2ccccc2)C1 ZINC000178325550 496413499 /nfs/dbraw/zinc/41/34/99/496413499.db2.gz WBOWKZPPUKGFCX-FQEVSTJZSA-N -1 3 356.397 3.412 20 0 FGADHM CC(C)CCSCC(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000178345138 496421350 /nfs/dbraw/zinc/42/13/50/496421350.db2.gz DWYUJSFKGCHGTO-UHFFFAOYSA-N -1 3 364.511 3.349 20 0 FGADHM O=C(Nc1nnc(-c2ccccn2)[n-]1)[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000184533988 496428072 /nfs/dbraw/zinc/42/80/72/496428072.db2.gz RFYROUHTTLAQAJ-UWVGGRQHSA-N -1 3 359.311 3.026 20 0 FGADHM O=C(Nc1nc(-c2ccccn2)n[n-]1)[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000184533988 496428075 /nfs/dbraw/zinc/42/80/75/496428075.db2.gz RFYROUHTTLAQAJ-UWVGGRQHSA-N -1 3 359.311 3.026 20 0 FGADHM O=C(Nc1n[n-]c(-c2ccccn2)n1)[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000184533988 496428081 /nfs/dbraw/zinc/42/80/81/496428081.db2.gz RFYROUHTTLAQAJ-UWVGGRQHSA-N -1 3 359.311 3.026 20 0 FGADHM Cc1cccnc1[C@@H]([N-]S(=O)(=O)Cc1c(F)cccc1F)C(C)C ZINC000162889144 496429586 /nfs/dbraw/zinc/42/95/86/496429586.db2.gz ZKYGTZLEHDVKQT-INIZCTEOSA-N -1 3 354.422 3.485 20 0 FGADHM CC(C)(C)[C@H]([N-]S(C)(=O)=O)C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000153366689 496433736 /nfs/dbraw/zinc/43/37/36/496433736.db2.gz LAQXGPHSYGYXHJ-GOSISDBHSA-N -1 3 372.490 3.160 20 0 FGADHM Cc1ccc(CC(=O)Nc2nnc(-c3ccccn3)[n-]2)cc1Br ZINC000187423811 496435352 /nfs/dbraw/zinc/43/53/52/496435352.db2.gz DJHLNCSQRTWOAI-UHFFFAOYSA-N -1 3 372.226 3.119 20 0 FGADHM Cc1ccc(CC(=O)Nc2nc(-c3ccccn3)n[n-]2)cc1Br ZINC000187423811 496435357 /nfs/dbraw/zinc/43/53/57/496435357.db2.gz DJHLNCSQRTWOAI-UHFFFAOYSA-N -1 3 372.226 3.119 20 0 FGADHM Cc1ccc(CC(=O)Nc2n[n-]c(-c3ccccn3)n2)cc1Br ZINC000187423811 496435362 /nfs/dbraw/zinc/43/53/62/496435362.db2.gz DJHLNCSQRTWOAI-UHFFFAOYSA-N -1 3 372.226 3.119 20 0 FGADHM O=C(NCCCNC(=O)c1cccc([O-])c1)Nc1cc(F)cc(Cl)c1 ZINC000163034465 496453857 /nfs/dbraw/zinc/45/38/57/496453857.db2.gz ILDFZGAZQAXUSA-UHFFFAOYSA-N -1 3 365.792 3.126 20 0 FGADHM CCc1noc(C)c1C[S@](=O)Cc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000574741326 505845240 /nfs/dbraw/zinc/84/52/40/505845240.db2.gz VEKPGMKNFLLFSJ-RUZDIDTESA-N -1 3 357.435 3.157 20 0 FGADHM CC(C)c1nc(C(=O)[N-]c2n[nH]c(C3CCC3)n2)nn1-c1ccccc1F ZINC000184607136 496461706 /nfs/dbraw/zinc/46/17/06/496461706.db2.gz ITSDWXLNVNIOHP-UHFFFAOYSA-N -1 3 369.404 3.168 20 0 FGADHM CS(=O)(=O)[N-]c1cc(NC(=O)c2ccc(F)c(Cl)c2)ccc1F ZINC000178469463 496467238 /nfs/dbraw/zinc/46/72/38/496467238.db2.gz MQZAWJSZPPEUSM-UHFFFAOYSA-N -1 3 360.769 3.242 20 0 FGADHM Cc1cnc([N-]C(=O)c2ncoc2[C@@H]2CCCO2)c(Br)c1 ZINC000163151878 496473423 /nfs/dbraw/zinc/47/34/23/496473423.db2.gz PHUXUIWFYMAPBX-JTQLQIEISA-N -1 3 352.188 3.244 20 0 FGADHM COC[C@@H](C)n1ccc(NC(=O)c2c[n-]nc2-c2ccc(Cl)cc2)n1 ZINC000187527135 496476964 /nfs/dbraw/zinc/47/69/64/496476964.db2.gz FSISMJXXNDLDPE-LLVKDONJSA-N -1 3 359.817 3.386 20 0 FGADHM CCOc1ccc([N-]S(=O)(=O)CCOc2ccc(F)cc2)cc1F ZINC000172887779 496477168 /nfs/dbraw/zinc/47/71/68/496477168.db2.gz RAQYKRVSZNCDMD-UHFFFAOYSA-N -1 3 357.378 3.184 20 0 FGADHM CC[C@@H]1CCCC[C@@H]1OCC(=O)Nc1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000184660704 496483146 /nfs/dbraw/zinc/48/31/46/496483146.db2.gz GQXHFTIETLXFNQ-WBMJQRKESA-N -1 3 372.462 3.121 20 0 FGADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@H]2CCCC2(C)C)cc1Cl ZINC000175685308 496499637 /nfs/dbraw/zinc/49/96/37/496499637.db2.gz WEAROYMQZKCXAK-AWEZNQCLSA-N -1 3 362.854 3.295 20 0 FGADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCCC2(C)C)cc1Cl ZINC000175685290 496499881 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Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCCc3cc(N)ccc32)cc1F ZINC000193390918 497367183 /nfs/dbraw/zinc/36/71/83/497367183.db2.gz JNRPFFFCKJPUOT-MRXNPFEDSA-N -1 3 352.406 3.211 20 0 FGADHM COC(=O)c1ccsc1[N-]C(=O)C(=O)N(C)[C@H](C)c1ccc(C)cc1C ZINC000266556994 497369877 /nfs/dbraw/zinc/36/98/77/497369877.db2.gz OUJNIAASZAKXPU-CYBMUJFWSA-N -1 3 374.462 3.310 20 0 FGADHM CC(C)Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N3C)cc1 ZINC000193452781 497383479 /nfs/dbraw/zinc/38/34/79/497383479.db2.gz HIFAEALYJXWGQF-UHFFFAOYSA-N -1 3 358.463 3.205 20 0 FGADHM CC[C@@H]([N-]S(=O)(=O)Cc1cc(C)on1)c1nc(C(F)(F)F)cs1 ZINC000266763830 497414537 /nfs/dbraw/zinc/41/45/37/497414537.db2.gz UHYJBLPSMRLSFU-SECBINFHSA-N -1 3 369.390 3.029 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]c2ccc(OCCN(C)C)cc2)sc1Cl ZINC000190336275 497441385 /nfs/dbraw/zinc/44/13/85/497441385.db2.gz TVFAASWXALZVLN-UHFFFAOYSA-N -1 3 374.915 3.451 20 0 FGADHM CCOC(=O)c1cc([N-]S(=O)(=O)c2cccc(F)c2)c(F)cc1C ZINC000575029966 505907654 /nfs/dbraw/zinc/90/76/54/505907654.db2.gz ZRUNZLZOQMACDN-UHFFFAOYSA-N -1 3 355.362 3.251 20 0 FGADHM CSc1ccc(C)c(NC(=O)[C@H](C)[N-]S(=O)(=O)c2cccs2)c1 ZINC000271877759 497477824 /nfs/dbraw/zinc/47/78/24/497477824.db2.gz BINGPPGEWUUMNU-NSHDSACASA-N -1 3 370.521 3.084 20 0 FGADHM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1CC(=O)Nc1cccc2c1N=S=N2 ZINC000262224195 497525538 /nfs/dbraw/zinc/52/55/38/497525538.db2.gz NAMZLFLUSMIQBG-SWHYSGLUSA-N -1 3 360.439 3.069 20 0 FGADHM Cc1noc(C)c1[N-]C(=O)c1csc(CCNC(=O)OC(C)(C)C)n1 ZINC000279749019 497528863 /nfs/dbraw/zinc/52/88/63/497528863.db2.gz YKONOZDDSKMIRL-UHFFFAOYSA-N -1 3 366.443 3.067 20 0 FGADHM Cc1csc([C@](O)(CC(=O)Nc2cc(F)ccc2[O-])C(F)(F)F)n1 ZINC000267377223 497537058 /nfs/dbraw/zinc/53/70/58/497537058.db2.gz TZLPNUWCKWAMGF-CYBMUJFWSA-N -1 3 364.320 3.075 20 0 FGADHM O=C(c1c[n-]c2ccccc2c1=O)N1CCC(OC[C@H]2CCCCO2)CC1 ZINC000267434665 497551862 /nfs/dbraw/zinc/55/18/62/497551862.db2.gz VYLFYCBZJUXXHB-MRXNPFEDSA-N -1 3 370.449 3.131 20 0 FGADHM O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)c1cccc([O-])c1 ZINC000194047877 497556900 /nfs/dbraw/zinc/55/69/00/497556900.db2.gz DTADDLIFILNXRT-UHFFFAOYSA-N -1 3 355.419 3.091 20 0 FGADHM Cc1cnc(Cl)c([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)c1 ZINC000276397543 497564481 /nfs/dbraw/zinc/56/44/81/497564481.db2.gz SDIFZXGLDQQBCI-UHFFFAOYSA-N -1 3 354.815 3.006 20 0 FGADHM CC(C)CC1(C)CCN(C(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)CC1 ZINC000572212208 505915256 /nfs/dbraw/zinc/91/52/56/505915256.db2.gz YVIQVJNRIYTYGI-UHFFFAOYSA-N -1 3 370.490 3.486 20 0 FGADHM CC(C)(C)NC(=O)c1cccc(NC(=O)c2n[n-]nc2-c2ccccc2)c1 ZINC000194167245 497592102 /nfs/dbraw/zinc/59/21/02/497592102.db2.gz QXGSADXWKAOGOD-UHFFFAOYSA-N -1 3 363.421 3.252 20 0 FGADHM Cc1ccccc1C(=O)NC1CCN(C(=O)c2ccc([O-])c(C)c2)CC1 ZINC000272311063 497593281 /nfs/dbraw/zinc/59/32/81/497593281.db2.gz AJOHJECIPMVXTE-UHFFFAOYSA-N -1 3 352.434 3.044 20 0 FGADHM C[C@@H](NC(=O)[C@@H](C)N1CCC(C(=O)[O-])CC1)c1ccc2ccccc2c1 ZINC000262677919 497598542 /nfs/dbraw/zinc/59/85/42/497598542.db2.gz UUWZLMRIBXTDQM-HUUCEWRRSA-N -1 3 354.450 3.202 20 0 FGADHM C[C@H]1OCC[C@]12CN(C(=O)c1cc(Oc3ccccc3)ccc1[O-])CCO2 ZINC000279995086 497613742 /nfs/dbraw/zinc/61/37/42/497613742.db2.gz LZJKTSFQKLVVMD-VFNWGFHPSA-N -1 3 369.417 3.205 20 0 FGADHM O=C(c1cccc([O-])c1)N1CCN(Cc2cnc(-c3ccco3)s2)CC1 ZINC000194373813 497646705 /nfs/dbraw/zinc/64/67/05/497646705.db2.gz BOWOAXWGLOIKLI-UHFFFAOYSA-N -1 3 369.446 3.067 20 0 FGADHM Cc1cc(C(=O)N2CCC(NC(=O)Nc3ccc(F)cc3)CC2)ccc1[O-] ZINC000272511688 497648598 /nfs/dbraw/zinc/64/85/98/497648598.db2.gz UQZFWYBTZDWHML-UHFFFAOYSA-N -1 3 371.412 3.266 20 0 FGADHM CCC(=O)c1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C)c2cccnc2)c1 ZINC000280110520 497652622 /nfs/dbraw/zinc/65/26/22/497652622.db2.gz VOJVYXBRWUXSDQ-NSHDSACASA-N -1 3 352.843 3.367 20 0 FGADHM C[C@]1(NC(=O)C2CCN(Cc3ccccc3)CC2)CCCC[C@@H]1C(=O)[O-] ZINC000262944191 497662485 /nfs/dbraw/zinc/66/24/85/497662485.db2.gz LUNQZVIDFQUJHZ-NQIIRXRSSA-N -1 3 358.482 3.048 20 0 FGADHM COc1cc(C(=O)NCC2(c3ccccc3C)CCOCC2)ccc1[O-] ZINC000272568218 497664811 /nfs/dbraw/zinc/66/48/11/497664811.db2.gz BPCDQIBOSDGSAL-UHFFFAOYSA-N -1 3 355.434 3.187 20 0 FGADHM COc1cc(C(=O)N[C@@H](C)c2cccc(N3CCCC3=O)c2)ccc1[O-] ZINC000272640639 497687206 /nfs/dbraw/zinc/68/72/06/497687206.db2.gz XQVCCMZRJBCVDT-ZDUSSCGKSA-N -1 3 354.406 3.019 20 0 FGADHM CO[C@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)C1 ZINC000191055015 497695086 /nfs/dbraw/zinc/69/50/86/497695086.db2.gz WZHGZXAVKQLMFV-UWVGGRQHSA-N -1 3 357.781 3.205 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H]3CCCc4n[nH]cc43)c2)n1 ZINC000268188201 497695734 /nfs/dbraw/zinc/69/57/34/497695734.db2.gz YPLIFOBRJWFLPM-HNNXBMFYSA-N -1 3 363.421 3.193 20 0 FGADHM Cc1nc(CCNCc2ccc(Br)c(F)c2)sc1C(=O)[O-] ZINC000276946013 497696040 /nfs/dbraw/zinc/69/60/40/497696040.db2.gz DBMYJKKINNSWKJ-UHFFFAOYSA-N -1 3 373.247 3.384 20 0 FGADHM COc1cccc(C(=O)N(Cc2ccc(F)cc2)C2CCOCC2)c1[O-] ZINC000276983642 497707552 /nfs/dbraw/zinc/70/75/52/497707552.db2.gz BNDPMLDWDVVABX-UHFFFAOYSA-N -1 3 359.397 3.361 20 0 FGADHM COCCN(Cc1cccnc1)C(=O)c1cc([O-])ccc1C(F)(F)F ZINC000280302235 497713381 /nfs/dbraw/zinc/71/33/81/497713381.db2.gz OZEGQGWPTFZKFA-UHFFFAOYSA-N -1 3 354.328 3.095 20 0 FGADHM C[C@H](CN(C)CC(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1)C(=O)[O-] ZINC000263303153 497753714 /nfs/dbraw/zinc/75/37/14/497753714.db2.gz GVWSIJMTKNHBRU-KUHUBIRLSA-N -1 3 374.868 3.198 20 0 FGADHM Cc1c(C(=O)Nc2nnc(-c3ccccn3)[n-]2)cnn1C1CCCCC1 ZINC000272904308 497757002 /nfs/dbraw/zinc/75/70/02/497757002.db2.gz KODAUERIQWDJNC-UHFFFAOYSA-N -1 3 351.414 3.129 20 0 FGADHM Cc1c(C(=O)Nc2nc(-c3ccccn3)n[n-]2)cnn1C1CCCCC1 ZINC000272904308 497757007 /nfs/dbraw/zinc/75/70/07/497757007.db2.gz KODAUERIQWDJNC-UHFFFAOYSA-N -1 3 351.414 3.129 20 0 FGADHM Cc1c(C(=O)Nc2n[n-]c(-c3ccccn3)n2)cnn1C1CCCCC1 ZINC000272904308 497757012 /nfs/dbraw/zinc/75/70/12/497757012.db2.gz KODAUERIQWDJNC-UHFFFAOYSA-N -1 3 351.414 3.129 20 0 FGADHM C[C@H](NC(=O)[C@H](C)N1C[C@H](C)C[C@H](C(=O)[O-])C1)c1cc2ccccc2o1 ZINC000263356262 497765987 /nfs/dbraw/zinc/76/59/87/497765987.db2.gz QXBYWOGGIHIOHA-HOSILWTGSA-N -1 3 358.438 3.041 20 0 FGADHM C[C@H](C(=O)N[C@@H](C)c1cc2ccccc2o1)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000263356261 497766160 /nfs/dbraw/zinc/76/61/60/497766160.db2.gz QXBYWOGGIHIOHA-CTASWTNQSA-N -1 3 358.438 3.041 20 0 FGADHM Cc1nn(C)cc1[C@@H](C)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000280486301 497769437 /nfs/dbraw/zinc/76/94/37/497769437.db2.gz BDJISHFBQLOYCH-MRVPVSSYSA-N -1 3 366.245 3.214 20 0 FGADHM Cc1c(Br)cc(CN(C)CCC(=O)[O-])cc1Br ZINC000263388147 497773630 /nfs/dbraw/zinc/77/36/30/497773630.db2.gz DMXWQHRXIZAFNK-UHFFFAOYSA-N -1 3 365.065 3.427 20 0 FGADHM C[C@@]1(C(=O)[O-])CCN(Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)C1 ZINC000263465864 497786410 /nfs/dbraw/zinc/78/64/10/497786410.db2.gz CPENLVGQDIZTTA-MRXNPFEDSA-N -1 3 353.344 3.188 20 0 FGADHM O=C([O-])[C@@H]1CN(Cc2cccc(-c3ccccn3)c2)C[C@H]1C(F)(F)F ZINC000263467218 497787070 /nfs/dbraw/zinc/78/70/70/497787070.db2.gz CURZADRJTYDFAG-HUUCEWRRSA-N -1 3 350.340 3.444 20 0 FGADHM COc1ccc(CN2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)c(Br)c1 ZINC000263487079 497789817 /nfs/dbraw/zinc/78/98/17/497789817.db2.gz HNXVTEUSEGYXJP-BLLLJJGKSA-N -1 3 354.244 3.144 20 0 FGADHM CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(Cc2cccc(C(=O)[O-])c2)C1 ZINC000263502415 497792730 /nfs/dbraw/zinc/79/27/30/497792730.db2.gz VXXFDWRCZLWABW-OAHLLOKOSA-N -1 3 372.387 3.008 20 0 FGADHM CSCCON=C([O-])Nc1ccc(C(=O)N2CCCC[C@@H]2C)cc1 ZINC000280586445 497794448 /nfs/dbraw/zinc/79/44/48/497794448.db2.gz SNAPAOOFKUBFGU-ZDUSSCGKSA-N -1 3 351.472 3.117 20 0 FGADHM CSCCO[N-]C(=O)Nc1ccc(C(=O)N2CCCC[C@@H]2C)cc1 ZINC000280586445 497794452 /nfs/dbraw/zinc/79/44/52/497794452.db2.gz SNAPAOOFKUBFGU-ZDUSSCGKSA-N -1 3 351.472 3.117 20 0 FGADHM O=C([O-])c1cnc(N2CCN(Cc3ccccc3)C3(CCCCC3)C2)cn1 ZINC000263533627 497796833 /nfs/dbraw/zinc/79/68/33/497796833.db2.gz XXYWRNVMUJYZLT-UHFFFAOYSA-N -1 3 366.465 3.200 20 0 FGADHM COc1ccc(NC(=O)[C@@H](c2ccccc2)N2CC[C@@](C)(C(=O)[O-])C2)cc1 ZINC000263562184 497799890 /nfs/dbraw/zinc/79/98/90/497799890.db2.gz CPLMNAQNCPOLBP-WIYYLYMNSA-N -1 3 368.433 3.172 20 0 FGADHM O=C([O-])c1ccc(CN2CCC[C@H](CNC(=O)c3ccccc3)C2)cc1 ZINC000263563436 497800649 /nfs/dbraw/zinc/80/06/49/497800649.db2.gz DJKZWKUMSGPIIR-QGZVFWFLSA-N -1 3 352.434 3.027 20 0 FGADHM CCN(C(=O)c1cc(NC([O-])=NOCC(C)(C)O)ccc1Cl)C(C)C ZINC000284605121 497841804 /nfs/dbraw/zinc/84/18/04/497841804.db2.gz ASSMWIKTIMIIQT-UHFFFAOYSA-N -1 3 371.865 3.035 20 0 FGADHM CCN(C(=O)c1cc(NC(=O)[N-]OCC(C)(C)O)ccc1Cl)C(C)C ZINC000284605121 497841809 /nfs/dbraw/zinc/84/18/09/497841809.db2.gz ASSMWIKTIMIIQT-UHFFFAOYSA-N -1 3 371.865 3.035 20 0 FGADHM Cc1nc(C)c(CCC(=O)NC[C@@H]2CCC[C@H]2c2ccccc2)c(=O)[n-]1 ZINC000295887541 497842979 /nfs/dbraw/zinc/84/29/79/497842979.db2.gz YLQVAMGACXPUHB-HKUYNNGSSA-N -1 3 353.466 3.432 20 0 FGADHM O=C(N=c1cc(-c2ccncc2)[n-][nH]1)c1c(F)cc(C(F)(F)F)cc1F ZINC000575168515 505935505 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CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(CN(C)C)c(C)c2)c1 ZINC000414463589 499795433 /nfs/dbraw/zinc/79/54/33/499795433.db2.gz KJDXVFYZWGUANM-UHFFFAOYSA-N -1 3 360.479 3.450 20 0 FGADHM C[C@H](CCc1ccsc1)N[C@@H]1CCN([C@H](C(=O)[O-])c2ccccc2)C1=O ZINC000414648730 499816940 /nfs/dbraw/zinc/81/69/40/499816940.db2.gz DIXYPDLQGUBWNO-OLMNPRSZSA-N -1 3 372.490 3.086 20 0 FGADHM CC(C)[C@@H](C(=O)[O-])N1CC[C@@H](N[C@H](C)CCc2ccc(Cl)s2)C1=O ZINC000414665560 499818772 /nfs/dbraw/zinc/81/87/72/499818772.db2.gz UPTJVZGSBSLEMX-KYOSRNDESA-N -1 3 372.918 3.022 20 0 FGADHM CCc1[n-][nH]c(=NC(=O)[C@H](CC)CC(F)F)c1-c1ccc2c(c1)OCO2 ZINC000412144447 499827695 /nfs/dbraw/zinc/82/76/95/499827695.db2.gz BBQCBPRQJSASLD-SNVBAGLBSA-N -1 3 365.380 3.410 20 0 FGADHM COc1ccc2c(c1)[n-]cc(C(=O)N1CCCC[C@H]1c1cccn1C)c2=O ZINC000412151710 499828326 /nfs/dbraw/zinc/82/83/26/499828326.db2.gz DKQKEIFFVQLMAD-IBGZPJMESA-N -1 3 365.433 3.243 20 0 FGADHM COc1ccc2c(c1)[n-]cc(C(=O)N1CCCC[C@@H]1c1cccn1C)c2=O ZINC000412151714 499828376 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CC[C@@H](c1n[n-]c(=NC(=O)N2CC[C@@H](C)C[C@@H]2CN)s1)c1ccccc1 ZINC000415161855 499871762 /nfs/dbraw/zinc/87/17/62/499871762.db2.gz JFHGGEKSQCVJRO-FVQBIDKESA-N -1 3 373.526 3.093 20 0 FGADHM Cc1cccc([C@H]2CCCN2C(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)n1 ZINC000579391054 506163536 /nfs/dbraw/zinc/16/35/36/506163536.db2.gz KFFLKIOQKAVMNE-QGZVFWFLSA-N -1 3 369.371 3.487 20 0 FGADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)[C@H]3CCCC[C@H]3C)c2)[n-]1 ZINC000424853234 499956013 /nfs/dbraw/zinc/95/60/13/499956013.db2.gz MILCLQDUJYLURZ-CJNGLKHVSA-N -1 3 370.453 3.091 20 0 FGADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)[C@H]3CCCC[C@H]3C)c2)n[n-]1 ZINC000424853234 499956017 /nfs/dbraw/zinc/95/60/17/499956017.db2.gz MILCLQDUJYLURZ-CJNGLKHVSA-N -1 3 370.453 3.091 20 0 FGADHM C[C@@H]1CCN(Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)C[C@H]1C(=O)[O-] ZINC000582241309 506167125 /nfs/dbraw/zinc/16/71/25/506167125.db2.gz MFNNOCRUPQCXLV-XOKHGSTOSA-N -1 3 367.873 3.440 20 0 FGADHM CC[C@@H](CS(=O)(=O)[N-]c1ccc(Br)cc1Cl)OC ZINC000421138629 499968022 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CCOc1ccc(C(C)=O)cc1C[S@@](=O)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000417172455 499995053 /nfs/dbraw/zinc/99/50/53/499995053.db2.gz HSEJAYPEAJSQMP-AREMUKBSSA-N -1 3 374.462 3.110 20 0 FGADHM COC(=O)c1cc(C(=O)[N-]c2nnc(-c3ccc(C)cc3C)s2)ccn1 ZINC000429091889 500001785 /nfs/dbraw/zinc/00/17/85/500001785.db2.gz SFLFPYRCJUSSHX-UHFFFAOYSA-N -1 3 368.418 3.256 20 0 FGADHM O=C(CCCc1ccc([O-])c(F)c1)N=c1ccn(CCC(F)(F)F)[nH]1 ZINC000425102294 500019413 /nfs/dbraw/zinc/01/94/13/500019413.db2.gz PAVKFIVTOOERHT-UHFFFAOYSA-N -1 3 359.323 3.064 20 0 FGADHM CC(C)COC[C@H]([N-]S(=O)(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccco1 ZINC000416381422 500033351 /nfs/dbraw/zinc/03/33/51/500033351.db2.gz HEMNQMNIWXMHEV-JENIJYKNSA-N -1 3 363.479 3.469 20 0 FGADHM Cc1csc([C@@H]([N-]S(=O)(=O)CCOCC2CCCC2)C2CC2)n1 ZINC000416411288 500038878 /nfs/dbraw/zinc/03/88/78/500038878.db2.gz ZEKOBAPTNHJWPL-HNNXBMFYSA-N -1 3 358.529 3.029 20 0 FGADHM CC(C)[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1cn2c(n1)CCC[C@H]2C ZINC000416473540 500049541 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Cc1c(Br)ccc([O-])c1NC(=O)C[C@H](C)c1cnn(C)c1 ZINC000413844427 500074084 /nfs/dbraw/zinc/07/40/84/500074084.db2.gz RCWVNMKETXWFNV-VIFPVBQESA-N -1 3 352.232 3.329 20 0 FGADHM COc1cccc(C(=O)N(C)c2ccc(C(=O)NC(C)(C)C)cc2)c1[O-] ZINC000413922707 500096146 /nfs/dbraw/zinc/09/61/46/500096146.db2.gz LAZAIUJAPZMOCR-UHFFFAOYSA-N -1 3 356.422 3.206 20 0 FGADHM CC(C)(C)n1cc(CN[C@H](Cc2c(F)cccc2Cl)C(=O)[O-])cn1 ZINC000417559228 500108944 /nfs/dbraw/zinc/10/89/44/500108944.db2.gz HPUVLHYOYUHWIA-OAHLLOKOSA-N -1 3 353.825 3.216 20 0 FGADHM COc1ccc2c(c1)CCC[C@@]2(NCc1cnc(C(C)(C)C)nc1)C(=O)[O-] ZINC000417561090 500109710 /nfs/dbraw/zinc/10/97/10/500109710.db2.gz ALSQLVNELCFQTJ-NRFANRHFSA-N -1 3 369.465 3.189 20 0 FGADHM O=C([O-])[C@@H](Cn1ccc(C(F)(F)F)n1)NCc1ccc2c(c1)CCCC2 ZINC000417570322 500112925 /nfs/dbraw/zinc/11/29/25/500112925.db2.gz DJOJGZWSOYJZKO-OAHLLOKOSA-N -1 3 367.371 3.024 20 0 FGADHM Cn1[n-]c(=NC(=O)N2CCCC[C@@H]2Cc2ccccc2)cc1OC(F)F ZINC000429624320 500114833 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370.449 3.025 20 0 FGADHM C[C@@H](NC(=O)N=c1cc(OC(F)F)n(C)[n-]1)c1ccc2c(c1)CCCC2 ZINC000429649229 500118493 /nfs/dbraw/zinc/11/84/93/500118493.db2.gz MKEJSXHZOSVTRF-LLVKDONJSA-N -1 3 364.396 3.205 20 0 FGADHM Cn1[n-]c(=NC(=O)N2C[C@@H](c3ccccc3)C(C)(C)C2)cc1OC(F)F ZINC000429649587 500118708 /nfs/dbraw/zinc/11/87/08/500118708.db2.gz NLSBFEIDZOXQOK-ZDUSSCGKSA-N -1 3 364.396 3.101 20 0 FGADHM CC(C)(C)OC[C@H](NCc1ccc(Br)cc1Cl)C(=O)[O-] ZINC000417599368 500122047 /nfs/dbraw/zinc/12/20/47/500122047.db2.gz OWHKRKNZZQWEDA-LBPRGKRZSA-N -1 3 364.667 3.460 20 0 FGADHM CCc1ccc(CN[C@H](Cc2ccc(Br)cc2)C(=O)[O-])o1 ZINC000417607831 500123541 /nfs/dbraw/zinc/12/35/41/500123541.db2.gz NMCISNPCKBOTOH-OAHLLOKOSA-N -1 3 352.228 3.390 20 0 FGADHM Cc1cc(CN[C@@H](CSCc2cccc3ccccc32)C(=O)[O-])n(C)n1 ZINC000417617713 500127020 /nfs/dbraw/zinc/12/70/20/500127020.db2.gz FYQOBIVOBGLNGG-IBGZPJMESA-N -1 3 369.490 3.358 20 0 FGADHM CC(C)Sc1cc(Br)ccc1CNCCOCC(=O)[O-] ZINC000417620301 500127069 /nfs/dbraw/zinc/12/70/69/500127069.db2.gz JADGUUMDAFAFOA-UHFFFAOYSA-N -1 3 362.289 3.140 20 0 FGADHM CC(C)=CCSC[C@H](NCc1cn(-c2ccccc2)nc1C)C(=O)[O-] ZINC000417630137 500130031 /nfs/dbraw/zinc/13/00/31/500130031.db2.gz SXRAGEQPRIBNOR-SFHVURJKSA-N -1 3 359.495 3.423 20 0 FGADHM CO[C@H](CNCc1cc(Br)cc(C(F)(F)F)c1)CC(=O)[O-] ZINC000417629548 500130324 /nfs/dbraw/zinc/13/03/24/500130324.db2.gz BHCWZBCGEKHUQG-NSHDSACASA-N -1 3 370.165 3.047 20 0 FGADHM COc1ccc(CN[C@@H]2C=C[C@H](C(=O)[O-])C2)cc1OCc1ccccc1 ZINC000417629881 500130385 /nfs/dbraw/zinc/13/03/85/500130385.db2.gz XPJRCUGIEISMIA-ZWKOTPCHSA-N -1 3 353.418 3.393 20 0 FGADHM CCc1nc(CN[C@@H](Cc2ccccc2Br)C(=O)[O-])cs1 ZINC000417637144 500132866 /nfs/dbraw/zinc/13/28/66/500132866.db2.gz YSJJARHIMKLALM-ZDUSSCGKSA-N -1 3 369.284 3.254 20 0 FGADHM COc1c(Cl)cc(Cl)cc1CNCCc1cccc(C(=O)[O-])n1 ZINC000417636665 500132909 /nfs/dbraw/zinc/13/29/09/500132909.db2.gz MBRUNXNNVBZIKB-UHFFFAOYSA-N -1 3 355.221 3.428 20 0 FGADHM C[C@@H](CC(C)(C)NCc1cn(-c2ccc(F)cc2Cl)nn1)C(=O)[O-] ZINC000417639637 500133402 /nfs/dbraw/zinc/13/34/02/500133402.db2.gz SXYCCBWFALLCHK-JTQLQIEISA-N -1 3 354.813 3.039 20 0 FGADHM Cc1cnn(C)c1CN[C@H](c1ccc(Br)cc1)[C@@H](C)C(=O)[O-] ZINC000417639346 500133812 /nfs/dbraw/zinc/13/38/12/500133812.db2.gz LYBAYZYYHQTVPX-ABAIWWIYSA-N -1 3 366.259 3.043 20 0 FGADHM Cc1cc(CN[C@H](c2ccc(Br)cc2)[C@H](C)C(=O)[O-])n(C)n1 ZINC000417643038 500135342 /nfs/dbraw/zinc/13/53/42/500135342.db2.gz YLDKAPKBONREJI-NHYWBVRUSA-N -1 3 366.259 3.043 20 0 FGADHM Cc1ccccc1-n1cc(CN[C@@H](C(=O)[O-])C(C2CCC2)C2CCC2)nn1 ZINC000417654827 500139269 /nfs/dbraw/zinc/13/92/69/500139269.db2.gz JBRXZVGILLDJDE-HXUWFJFHSA-N -1 3 368.481 3.335 20 0 FGADHM CC1(C)CCc2nc(NC(=O)NCc3nc(C(F)(F)F)n[n-]3)sc2C1 ZINC000417659927 500140459 /nfs/dbraw/zinc/14/04/59/500140459.db2.gz MEFWDXDKSKYGRI-UHFFFAOYSA-N -1 3 374.392 3.117 20 0 FGADHM CC1(C)CCc2nc(NC(=O)NCc3nnc(C(F)(F)F)[n-]3)sc2C1 ZINC000417659927 500140454 /nfs/dbraw/zinc/14/04/54/500140454.db2.gz MEFWDXDKSKYGRI-UHFFFAOYSA-N -1 3 374.392 3.117 20 0 FGADHM CC1(C)CCc2nc(NC(=O)NCc3n[n-]c(C(F)(F)F)n3)sc2C1 ZINC000417659927 500140456 /nfs/dbraw/zinc/14/04/56/500140456.db2.gz MEFWDXDKSKYGRI-UHFFFAOYSA-N -1 3 374.392 3.117 20 0 FGADHM O=S(=O)([N-]C[C@H]1CCCS1)c1cc(Cl)ccc1Br ZINC000429863489 500158455 /nfs/dbraw/zinc/15/84/55/500158455.db2.gz CWKJZUZAJHFISA-SECBINFHSA-N -1 3 370.721 3.276 20 0 FGADHM O=S(=O)([N-][C@H]1Cc2cccc(O)c2C1)c1ccc(Cl)cc1Cl ZINC000429899570 500163791 /nfs/dbraw/zinc/16/37/91/500163791.db2.gz ZKIMDADGRMQRFK-NSHDSACASA-N -1 3 358.246 3.145 20 0 FGADHM Cc1cc(Br)cnc1[N-]C(=O)c1cc(-c2ccccn2)no1 ZINC000430083168 500189653 /nfs/dbraw/zinc/18/96/53/500189653.db2.gz UGCKDJDEGSAJQO-UHFFFAOYSA-N -1 3 359.183 3.455 20 0 FGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)C1(c2ccccc2)CC1 ZINC000430147367 500199966 /nfs/dbraw/zinc/19/99/66/500199966.db2.gz ISEQLPPDUUGHEF-UHFFFAOYSA-N -1 3 356.223 3.189 20 0 FGADHM COC(=O)[C@@H](CNC(=O)CCCC(C)(C)C)Cc1ccc([O-])c(F)c1 ZINC000422045247 500204757 /nfs/dbraw/zinc/20/47/57/500204757.db2.gz RXNHRLKTPMOAIG-CQSZACIVSA-N -1 3 353.434 3.196 20 0 FGADHM CC[C@@H](C(=O)NC[C@H](Cc1ccc([O-])c(F)c1)C(=O)OC)c1ccccc1 ZINC000422052160 500206070 /nfs/dbraw/zinc/20/60/70/500206070.db2.gz ZTLMLDGZYNVLHV-DLBZAZTESA-N -1 3 373.424 3.173 20 0 FGADHM Cc1nc(C)n(Cc2cccc([N-]S(=O)(=O)c3ccc(C)cc3)c2)n1 ZINC000426012227 500225444 /nfs/dbraw/zinc/22/54/44/500225444.db2.gz CGJUTXKVSZQJBS-UHFFFAOYSA-N -1 3 356.451 3.052 20 0 FGADHM COc1ccc([O-])c(C(=O)NC[C@@]2(Cc3ccc(F)cc3)CCC[C@H]2O)c1 ZINC000430475807 500244713 /nfs/dbraw/zinc/24/47/13/500244713.db2.gz GVNVAUJBVOCFDL-CTNGQTDRSA-N -1 3 373.424 3.044 20 0 FGADHM C[C@@H]1CC[C@H](N(C)C(=O)Cc2csc(NC(=O)c3cccc([O-])c3)n2)C1 ZINC000430474893 500244745 /nfs/dbraw/zinc/24/47/45/500244745.db2.gz UIBNYINDCGXCRV-DOMZBBRYSA-N -1 3 373.478 3.291 20 0 FGADHM COC(=O)c1ccc(-c2nc(Cc3cccc(C(F)(F)F)c3)no2)[n-]1 ZINC000426340836 500262115 /nfs/dbraw/zinc/26/21/15/500262115.db2.gz WKRQOSHLMRMKOT-UHFFFAOYSA-N -1 3 351.284 3.461 20 0 FGADHM O=C(Nc1cnns1)c1c[n-]c2ccc(Oc3ccccc3)cc2c1=O ZINC000430616621 500262333 /nfs/dbraw/zinc/26/23/33/500262333.db2.gz GKSVWYBQASNRGQ-UHFFFAOYSA-N -1 3 364.386 3.424 20 0 FGADHM O=C(Nc1cnns1)c1cnc2ccc(Oc3ccccc3)cc2c1[O-] ZINC000430616621 500262338 /nfs/dbraw/zinc/26/23/38/500262338.db2.gz GKSVWYBQASNRGQ-UHFFFAOYSA-N -1 3 364.386 3.424 20 0 FGADHM CCN=c1[n-]c(C(=O)N[C@@H](Cc2ccc(C)cc2)c2ccccn2)cs1 ZINC000426356193 500264358 /nfs/dbraw/zinc/26/43/58/500264358.db2.gz HSUVDRNGHUXKKP-KRWDZBQOSA-N -1 3 366.490 3.414 20 0 FGADHM COC(=O)c1ccc(-c2nc(-c3cc(F)cc(Br)c3)no2)[n-]1 ZINC000426404975 500269790 /nfs/dbraw/zinc/26/97/90/500269790.db2.gz LDPQFBWWZIIUMK-UHFFFAOYSA-N -1 3 366.146 3.420 20 0 FGADHM COc1ccc(CN2C[C@H](C)C[C@@H](C(=O)[O-])C2)c(OCc2cccnc2)c1 ZINC000422634464 500284217 /nfs/dbraw/zinc/28/42/17/500284217.db2.gz LGOWSOBJSDNEBW-CRAIPNDOSA-N -1 3 370.449 3.212 20 0 FGADHM O=C([O-])[C@H](CNCc1csc(Br)c1)Oc1ccc(F)cc1 ZINC000426645688 500300445 /nfs/dbraw/zinc/30/04/45/500300445.db2.gz FPBQITPPPJYRAH-LBPRGKRZSA-N -1 3 374.231 3.272 20 0 FGADHM O=C([O-])[C@H](Cc1ccc(O)cc1)NCc1ccc(Br)cc1F ZINC000426648570 500300666 /nfs/dbraw/zinc/30/06/66/500300666.db2.gz SROFKDMUNSSOGV-HNNXBMFYSA-N -1 3 368.202 3.079 20 0 FGADHM CC(C)(CCCNCc1cn(-c2ccc(F)cc2Cl)nn1)C(=O)[O-] ZINC000426648002 500300922 /nfs/dbraw/zinc/30/09/22/500300922.db2.gz QUJIBRDTWIERBF-UHFFFAOYSA-N -1 3 354.813 3.040 20 0 FGADHM O=C([O-])[C@@H](Cc1ccc(O)cc1)NCc1ccc(F)cc1Br ZINC000426656439 500301977 /nfs/dbraw/zinc/30/19/77/500301977.db2.gz XZYKUGSMAZBBKZ-OAHLLOKOSA-N -1 3 368.202 3.079 20 0 FGADHM O=C([O-])c1ccnc(N2CCC(NCc3cc(Cl)ccc3F)CC2)c1 ZINC000426666186 500303666 /nfs/dbraw/zinc/30/36/66/500303666.db2.gz OUIQMIZIPLQUOF-UHFFFAOYSA-N -1 3 363.820 3.331 20 0 FGADHM CC(C)C[C@H](CNCc1cn(-c2ccc(F)cc2Cl)nn1)CC(=O)[O-] ZINC000426716311 500310161 /nfs/dbraw/zinc/31/01/61/500310161.db2.gz VDOYTMFJSTYMLL-LBPRGKRZSA-N -1 3 368.840 3.286 20 0 FGADHM Cc1cc(CN[C@@H](Cn2ccc(C(F)(F)F)n2)C(=O)[O-])ccc1Cl ZINC000426726672 500311433 /nfs/dbraw/zinc/31/14/33/500311433.db2.gz LEBVJLRPRJKDLH-LBPRGKRZSA-N -1 3 361.751 3.107 20 0 FGADHM Cc1cnn(C[C@@H](NCc2cccc(Oc3ccccc3)c2)C(=O)[O-])c1 ZINC000426726802 500311839 /nfs/dbraw/zinc/31/18/39/500311839.db2.gz LHMDVGJRSALWIO-LJQANCHMSA-N -1 3 351.406 3.227 20 0 FGADHM CCCSC[C@@H](NCc1cc(Cl)c2c(c1)OCCCO2)C(=O)[O-] ZINC000426761908 500316721 /nfs/dbraw/zinc/31/67/21/500316721.db2.gz FIZFRRTULYCFEW-CYBMUJFWSA-N -1 3 359.875 3.187 20 0 FGADHM CCOc1c(OC)cc(CN[C@H](C(=O)[O-])c2ccc(F)cc2)cc1OC ZINC000426765790 500317588 /nfs/dbraw/zinc/31/75/88/500317588.db2.gz SFKXDXJJWRKNTE-KRWDZBQOSA-N -1 3 363.385 3.157 20 0 FGADHM CNC(=O)c1ccc(CN[C@H](CC(=O)[O-])c2ccc(C(C)C)cc2)cc1 ZINC000426769993 500318194 /nfs/dbraw/zinc/31/81/94/500318194.db2.gz NTZSJSZAQYUTMK-LJQANCHMSA-N -1 3 354.450 3.475 20 0 FGADHM CCOc1ccc(CN[C@@H](C(=O)[O-])c2ccc(OC)c(F)c2)cc1OC 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20 0 FGADHM COC(=O)c1cccc(NC(=O)c2cc(-c3ccco3)n[n-]2)c1OC(C)C ZINC000427007996 500344374 /nfs/dbraw/zinc/34/43/74/500344374.db2.gz LBKNFJUXSJXHKZ-UHFFFAOYSA-N -1 3 369.377 3.496 20 0 FGADHM O=C(CNC(=O)c1cccc([O-])c1)N[C@H](c1cccc(F)c1)C1CCCC1 ZINC000427167828 500362411 /nfs/dbraw/zinc/36/24/11/500362411.db2.gz AMXGTAPAWXKYOF-FQEVSTJZSA-N -1 3 370.424 3.309 20 0 FGADHM Cc1cccc(C)c1NCC(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000431447370 500378944 /nfs/dbraw/zinc/37/89/44/500378944.db2.gz UVUSYAYXMVPKMZ-UHFFFAOYSA-N -1 3 373.254 3.186 20 0 FGADHM Cc1ccc(CNC(=O)CSCc2cc(=O)[n-]c(C3CC3)n2)cc1F ZINC000419597687 500383218 /nfs/dbraw/zinc/38/32/18/500383218.db2.gz AUDJWMLZDCEFGZ-UHFFFAOYSA-N -1 3 361.442 3.057 20 0 FGADHM CCCc1csc(CNc2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)n1 ZINC000419759844 500393630 /nfs/dbraw/zinc/39/36/30/500393630.db2.gz YLWYIYCBEQEFHM-UHFFFAOYSA-N -1 3 369.487 3.288 20 0 FGADHM COc1ccncc1C[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000431578450 500394553 /nfs/dbraw/zinc/39/45/53/500394553.db2.gz KOFWCIZXCCIDSV-UHFFFAOYSA-N -1 3 365.213 3.015 20 0 FGADHM O=S(=O)([N-][C@@H]1CCO[C@@H](c2ccccn2)C1)c1ccc(Cl)cc1F ZINC000576586758 506193207 /nfs/dbraw/zinc/19/32/07/506193207.db2.gz OPHPKMPTUSLNKR-IUODEOHRSA-N -1 3 370.833 3.073 20 0 FGADHM Cc1cc(N2CCN(C(=O)c3cc([O-])ccc3Cl)CC2)nc(C(C)C)n1 ZINC000431626761 500400566 /nfs/dbraw/zinc/40/05/66/500400566.db2.gz XJSDBZHOSNIKKN-UHFFFAOYSA-N -1 3 374.872 3.230 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2cc3cccnc3c(OC)c2)c(C)c1 ZINC000427637225 500414702 /nfs/dbraw/zinc/41/47/02/500414702.db2.gz OPUMBPAERQBXLS-UHFFFAOYSA-N -1 3 358.419 3.361 20 0 FGADHM COc1cc([N-]S(=O)(=O)c2ccc(CN(C)C)cc2)cc2cccnc21 ZINC000427646458 500415871 /nfs/dbraw/zinc/41/58/71/500415871.db2.gz IIGWBEJIEDIVQX-UHFFFAOYSA-N -1 3 371.462 3.106 20 0 FGADHM Cc1ccc([O-])c(NC(=O)c2cccc(-c3noc(C(F)(F)F)n3)c2)n1 ZINC000431815730 500428731 /nfs/dbraw/zinc/42/87/31/500428731.db2.gz SGXQUXYAWUVUQN-UHFFFAOYSA-N -1 3 364.283 3.417 20 0 FGADHM O=C(NCc1nccn1CCc1ccccc1)c1cc([O-])ccc1Cl ZINC000431858846 500435308 /nfs/dbraw/zinc/43/53/08/500435308.db2.gz LQZBMRMXQYSUKG-UHFFFAOYSA-N -1 3 355.825 3.415 20 0 FGADHM NC(=O)N1CCCc2ccc(NC(=O)c3c[n-]nc3-c3ccccc3)cc21 ZINC000427957703 500450621 /nfs/dbraw/zinc/45/06/21/500450621.db2.gz KXEYQTISAHEJOM-UHFFFAOYSA-N -1 3 361.405 3.160 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)[C@@H](c1ccccc1)N(C)C ZINC000428065492 500464354 /nfs/dbraw/zinc/46/43/54/500464354.db2.gz FOMWFVQERDDNTJ-WBMJQRKESA-N -1 3 370.877 3.449 20 0 FGADHM CC(C)(CO)[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1)c1cccs1 ZINC000582388178 506200590 /nfs/dbraw/zinc/20/05/90/506200590.db2.gz FCDGEEYODFWDNJ-AWEZNQCLSA-N -1 3 359.900 3.440 20 0 FGADHM C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)CN1CCCC[C@@H]1CCC(=O)[O-] ZINC000424266176 500478274 /nfs/dbraw/zinc/47/82/74/500478274.db2.gz WOLOMRSALMPRAX-UKRRQHHQSA-N -1 3 368.424 3.204 20 0 FGADHM O=c1ccc2cc(S(=O)(=O)[N-]c3ccc(OCC4CC4)cc3)ccc2[nH]1 ZINC000432186429 500481829 /nfs/dbraw/zinc/48/18/29/500481829.db2.gz LOWIXCATPMKZGW-UHFFFAOYSA-N 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/nfs/dbraw/zinc/49/30/38/500493038.db2.gz VPEZNZIBLKZDDE-ZJUUUORDSA-N -1 3 374.450 3.203 20 0 FGADHM Cc1cccnc1CCC[N-]S(=O)(=O)c1cc(F)ccc1OC(F)F ZINC000420750763 500494824 /nfs/dbraw/zinc/49/48/24/500494824.db2.gz NSWOHIMYONEYMS-UHFFFAOYSA-N -1 3 374.384 3.042 20 0 FGADHM O=S(=O)([N-]CCC1CC(F)(F)C1)c1cc(F)ccc1OC(F)F ZINC000420759147 500495861 /nfs/dbraw/zinc/49/58/61/500495861.db2.gz VXBDIRBGOQUYDW-UHFFFAOYSA-N -1 3 359.316 3.141 20 0 FGADHM CCCCOc1ccc(CNc2ccc3c(c2)C(=O)[N-]C3=O)cc1OC ZINC000428350572 500498987 /nfs/dbraw/zinc/49/89/87/500498987.db2.gz YOVLIZKTQQFEQG-UHFFFAOYSA-N -1 3 354.406 3.370 20 0 FGADHM CC(=O)c1ccc(S(=O)(=O)[N-]c2cccc3c2OCC[C@@H]3N(C)C)cc1 ZINC000432479484 500520962 /nfs/dbraw/zinc/52/09/62/500520962.db2.gz SEEZKRGTRRLGOK-SFHVURJKSA-N -1 3 374.462 3.075 20 0 FGADHM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc3c2OCC[C@H]3N(C)C)c1 ZINC000432481648 500521020 /nfs/dbraw/zinc/52/10/20/500521020.db2.gz XERICOSXZCENSS-QGZVFWFLSA-N -1 3 360.479 3.489 20 0 FGADHM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc2c1OCC[C@H]2N(C)C ZINC000432489594 500521938 /nfs/dbraw/zinc/52/19/38/500521938.db2.gz MANDIEXTZBCAQC-MRXNPFEDSA-N -1 3 364.442 3.320 20 0 FGADHM CN(C)[C@@H]1CCOc2c([N-]S(=O)(=O)c3ccc(F)c(F)c3)cccc21 ZINC000432487117 500521949 /nfs/dbraw/zinc/52/19/49/500521949.db2.gz BHIFTCDHBLQWJR-MRXNPFEDSA-N -1 3 368.405 3.151 20 0 FGADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(OC)c(OC)c2)cc1Cl ZINC000432767794 500560477 /nfs/dbraw/zinc/56/04/77/500560477.db2.gz JAEGEOMBMUOTPT-UHFFFAOYSA-N -1 3 371.842 3.475 20 0 FGADHM COc1cccc(C(=O)NCCc2ccc(OC)c(OC)c2Cl)c1[O-] ZINC000436934087 500573092 /nfs/dbraw/zinc/57/30/92/500573092.db2.gz FOHBOQJQZGIOIV-UHFFFAOYSA-N -1 3 365.813 3.044 20 0 FGADHM Cc1cc(N2CCNC2=O)ccc1[N-]S(=O)(=O)c1ccc(C(C)C)cc1 ZINC000442236553 500573941 /nfs/dbraw/zinc/57/39/41/500573941.db2.gz UUCZYYQBJXMIRR-UHFFFAOYSA-N -1 3 373.478 3.449 20 0 FGADHM O=C(NCc1ccc(Cn2ccnc2)cc1)c1ccc2c(c1[O-])CCCC2 ZINC000436941760 500575835 /nfs/dbraw/zinc/57/58/35/500575835.db2.gz SGCQKSYUMGTELK-UHFFFAOYSA-N -1 3 361.445 3.446 20 0 FGADHM O=C(NCc1ccnc(N2CCCC2)c1)c1ccc2c(c1[O-])CCCC2 ZINC000436945937 500576622 /nfs/dbraw/zinc/57/66/22/500576622.db2.gz HJRZNZCWNFXAJB-UHFFFAOYSA-N -1 3 351.450 3.196 20 0 FGADHM O=C(Nc1nnc(-c2c(F)cccc2F)[n-]1)[C@@H]1OCCc2ccccc21 ZINC000442264089 500577227 /nfs/dbraw/zinc/57/72/27/500577227.db2.gz HORIBRBLPYWLDZ-OAHLLOKOSA-N -1 3 356.332 3.002 20 0 FGADHM O=C(Nc1nc(-c2c(F)cccc2F)n[n-]1)[C@@H]1OCCc2ccccc21 ZINC000442264089 500577230 /nfs/dbraw/zinc/57/72/30/500577230.db2.gz HORIBRBLPYWLDZ-OAHLLOKOSA-N -1 3 356.332 3.002 20 0 FGADHM O=C(Nc1n[n-]c(-c2c(F)cccc2F)n1)[C@@H]1OCCc2ccccc21 ZINC000442264089 500577232 /nfs/dbraw/zinc/57/72/32/500577232.db2.gz HORIBRBLPYWLDZ-OAHLLOKOSA-N -1 3 356.332 3.002 20 0 FGADHM Cc1cccc(C(=O)Nc2ccc(C)c(S(=O)(=O)NC3CC3)c2C)c1[O-] ZINC000436951189 500577885 /nfs/dbraw/zinc/57/78/85/500577885.db2.gz FAKKCOKOGBFCPX-UHFFFAOYSA-N -1 3 374.462 3.010 20 0 FGADHM COc1ccc2c(c1)[n-]cc(C(=O)N1CC[C@@](C)(c3ccccc3)C1)c2=O ZINC000447223730 500578292 /nfs/dbraw/zinc/57/82/92/500578292.db2.gz TVKASBGFYFKSSR-JOCHJYFZSA-N -1 3 362.429 3.341 20 0 FGADHM COC(=O)[C@@H]1C[C@H](C)CCN1C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436959454 500579308 /nfs/dbraw/zinc/57/93/08/500579308.db2.gz HPIICPFOYLHZIR-BEFAXECRSA-N -1 3 367.445 3.397 20 0 FGADHM COC(=O)c1ccc(C(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2)[n-]1 ZINC000432869889 500581183 /nfs/dbraw/zinc/58/11/83/500581183.db2.gz BQHAFWULKWZRDH-UHFFFAOYSA-N -1 3 369.421 3.116 20 0 FGADHM O=S(=O)(C[C@@H]1CCCCO1)[N-]c1ccc(Oc2ccccc2F)nc1 ZINC000447264215 500581507 /nfs/dbraw/zinc/58/15/07/500581507.db2.gz MVOAPZKHWKYRHU-AWEZNQCLSA-N -1 3 366.414 3.324 20 0 FGADHM CCCCOc1ccc(C(=O)N2CCC[C@@](O)(C(F)(F)F)C2)c([O-])c1 ZINC000436975457 500584519 /nfs/dbraw/zinc/58/45/19/500584519.db2.gz AHJBTPANWXGVKI-INIZCTEOSA-N -1 3 361.360 3.101 20 0 FGADHM CCCCOc1ccc(C(=O)N2CCN(c3ncccc3F)CC2)c([O-])c1 ZINC000436991029 500587908 /nfs/dbraw/zinc/58/79/08/500587908.db2.gz WLGPUKBMNNEYNP-UHFFFAOYSA-N -1 3 373.428 3.068 20 0 FGADHM Cc1ccc(C(=O)NCCCCn2cc(Br)cn2)c([O-])c1C ZINC000436992566 500588553 /nfs/dbraw/zinc/58/85/53/500588553.db2.gz XCKINPZIWNXFJL-UHFFFAOYSA-N -1 3 366.259 3.178 20 0 FGADHM COc1cc(C)cc(C(=O)Nc2cccc(N3C(=O)CCCC3=O)c2)c1[O-] ZINC000436999119 500590397 /nfs/dbraw/zinc/59/03/97/500590397.db2.gz JCHVVNDGMIFQOD-UHFFFAOYSA-N -1 3 368.389 3.005 20 0 FGADHM O=C(Nc1nnc(-c2ccco2)[n-]1)c1cccc(OCC(F)(F)F)c1 ZINC000432918290 500591269 /nfs/dbraw/zinc/59/12/69/500591269.db2.gz OFXUMLOKKZTGDH-UHFFFAOYSA-N -1 3 352.272 3.258 20 0 FGADHM O=C(Nc1nc(-c2ccco2)n[n-]1)c1cccc(OCC(F)(F)F)c1 ZINC000432918290 500591272 /nfs/dbraw/zinc/59/12/72/500591272.db2.gz OFXUMLOKKZTGDH-UHFFFAOYSA-N -1 3 352.272 3.258 20 0 FGADHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1cccc(OCC(F)(F)F)c1 ZINC000432918290 500591273 /nfs/dbraw/zinc/59/12/73/500591273.db2.gz OFXUMLOKKZTGDH-UHFFFAOYSA-N -1 3 352.272 3.258 20 0 FGADHM CCOC(=O)c1[n-]c(C)nc1NC(=O)Cc1cccc(OCC=C(C)C)c1 ZINC000570615653 506205757 /nfs/dbraw/zinc/20/57/57/506205757.db2.gz MTCFRWDOKQDGDH-UHFFFAOYSA-N -1 3 371.437 3.421 20 0 FGADHM CCOC(=O)c1nc(C)[n-]c1NC(=O)Cc1cccc(OCC=C(C)C)c1 ZINC000570615653 506205758 /nfs/dbraw/zinc/20/57/58/506205758.db2.gz MTCFRWDOKQDGDH-UHFFFAOYSA-N -1 3 371.437 3.421 20 0 FGADHM Cc1ccc(CN(C)C)cc1[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000442607087 500604292 /nfs/dbraw/zinc/60/42/92/500604292.db2.gz RPDVYOFVFRRTSY-UHFFFAOYSA-N -1 3 373.272 3.213 20 0 FGADHM CCC[C@]1(C)CCCN(C(=O)C(=O)[N-]c2sccc2C(=O)OCC)C1 ZINC000442626203 500606451 /nfs/dbraw/zinc/60/64/51/500606451.db2.gz HQGZAIIURPCYOR-GOSISDBHSA-N -1 3 366.483 3.292 20 0 FGADHM COc1ccc(Br)c(CNC(=O)c2ccc([O-])c(OC)c2)c1 ZINC000442720778 500614971 /nfs/dbraw/zinc/61/49/71/500614971.db2.gz LUPGMCOBKZHGSV-UHFFFAOYSA-N -1 3 366.211 3.102 20 0 FGADHM COc1cc(C(=O)NC[C@H](c2ccc(F)cc2)N(C)C)cc(Cl)c1[O-] ZINC000442726173 500615795 /nfs/dbraw/zinc/61/57/95/500615795.db2.gz BRHAROQSOIZQFA-OAHLLOKOSA-N -1 3 366.820 3.226 20 0 FGADHM COc1cc(-c2noc(-c3ccnc(N4CC[C@@H](C)C4)c3)n2)ccc1[O-] ZINC000437246464 500620069 /nfs/dbraw/zinc/62/00/69/500620069.db2.gz VGTHVVYXSQGWMT-GFCCVEGCSA-N -1 3 352.394 3.359 20 0 FGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@H](CC(F)(F)F)C(C)C ZINC000442760588 500621270 /nfs/dbraw/zinc/62/12/70/500621270.db2.gz NRLGKOIKEWYNAH-SECBINFHSA-N -1 3 373.418 3.098 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1cc(F)cc(F)c1)[C@H]1Oc2ccccc2[C@@H]1C ZINC000437317766 500629195 /nfs/dbraw/zinc/62/91/95/500629195.db2.gz VHMNJBMZXKFTFM-DINDLPBHSA-N -1 3 353.390 3.196 20 0 FGADHM CSc1nc(-c2ccco2)nc(C)c1C(=O)Nc1nc(C)ccc1[O-] ZINC000447633807 500637528 /nfs/dbraw/zinc/63/75/28/500637528.db2.gz GSWFHKXUANXEQB-UHFFFAOYSA-N -1 3 356.407 3.428 20 0 FGADHM CC(=O)Nc1ccc(CC(=O)Nc2ccc(OC(F)(F)F)cc2[O-])cc1 ZINC000442923853 500647378 /nfs/dbraw/zinc/64/73/78/500647378.db2.gz NZDYFLPQKWEYEH-UHFFFAOYSA-N -1 3 368.311 3.430 20 0 FGADHM COc1cc(C(=O)NC[C@@H](C)N(C)Cc2ccccc2)cc(Cl)c1[O-] ZINC000442967368 500655586 /nfs/dbraw/zinc/65/55/86/500655586.db2.gz QAQHBFXETSGAQI-CYBMUJFWSA-N -1 3 362.857 3.305 20 0 FGADHM O=S(=O)([N-]c1ccc2c(c1)CCO2)c1ccc(OC(F)F)c(F)c1 ZINC000447780852 500659874 /nfs/dbraw/zinc/65/98/74/500659874.db2.gz AGPKLSLIGIBOFS-UHFFFAOYSA-N -1 3 359.325 3.163 20 0 FGADHM COc1cc(C(=O)Nc2cccn(Cc3ccc(C)cc3)c2=O)ccc1[O-] ZINC000443058806 500670397 /nfs/dbraw/zinc/67/03/97/500670397.db2.gz OIYVFELJARUWFI-UHFFFAOYSA-N -1 3 364.401 3.172 20 0 FGADHM COc1cc(C(=O)N[C@H](Cc2ccccc2)C(=O)OC(C)(C)C)ccc1[O-] ZINC000443056715 500670602 /nfs/dbraw/zinc/67/06/02/500670602.db2.gz ZLZOZIZEAFDSHH-MRXNPFEDSA-N -1 3 371.433 3.084 20 0 FGADHM NC(=O)CCSc1ccccc1NC(=O)c1cc([O-])ccc1Cl ZINC000433350130 500678046 /nfs/dbraw/zinc/67/80/46/500678046.db2.gz DTPOSURTGKKSAK-UHFFFAOYSA-N -1 3 350.827 3.265 20 0 FGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)c2ccccc2SC)s1 ZINC000443103610 500680438 /nfs/dbraw/zinc/68/04/38/500680438.db2.gz QIZIKRPWNQZQOC-JTQLQIEISA-N -1 3 371.505 3.296 20 0 FGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]CC[C@@H]1CCC[C@H](C)C1 ZINC000443129195 500684701 /nfs/dbraw/zinc/68/47/01/500684701.db2.gz LOBIOHMYUQFKFX-STQMWFEESA-N -1 3 357.447 3.107 20 0 FGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]C[C@@H]1CCCC[C@H]1O ZINC000443245691 500700643 /nfs/dbraw/zinc/70/06/43/500700643.db2.gz IEOQTLCZVVUIAA-SMDDNHRTSA-N -1 3 357.859 3.224 20 0 FGADHM CCC[C@@H](CCO)C[N-]S(=O)(=O)c1oc2ccc(Cl)cc2c1C ZINC000443310495 500707608 /nfs/dbraw/zinc/70/76/08/500707608.db2.gz PDMIQRAVHOPFCM-LBPRGKRZSA-N -1 3 359.875 3.472 20 0 FGADHM CCC[C@H](CCO)C[N-]S(=O)(=O)c1oc2ccc(Cl)cc2c1C ZINC000443310492 500707895 /nfs/dbraw/zinc/70/78/95/500707895.db2.gz PDMIQRAVHOPFCM-GFCCVEGCSA-N -1 3 359.875 3.472 20 0 FGADHM CC[C@H](C[C@@H](C)CO)[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000443317896 500709267 /nfs/dbraw/zinc/70/92/67/500709267.db2.gz ZIJGHGJPOGIJNM-MWLCHTKSSA-N -1 3 373.824 3.434 20 0 FGADHM C[C@@]1(C[N-]S(=O)(=O)c2cccc(Cl)c2Cl)CCCC[C@@H]1O ZINC000443349501 500713576 /nfs/dbraw/zinc/71/35/76/500713576.db2.gz GCUAKTVLYSSYDJ-JSGCOSHPSA-N -1 3 352.283 3.213 20 0 FGADHM C[C@]1(C[N-]S(=O)(=O)c2csc(-c3ccccc3)n2)CCCC[C@@H]1O ZINC000443357080 500714651 /nfs/dbraw/zinc/71/46/51/500714651.db2.gz NGSFBXATGIIXPR-WMLDXEAASA-N -1 3 366.508 3.030 20 0 FGADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H](C)Cc1cccc(O)c1 ZINC000443389046 500717894 /nfs/dbraw/zinc/71/78/94/500717894.db2.gz QVYOPFQFJFMTJD-NSHDSACASA-N -1 3 363.410 3.495 20 0 FGADHM CC(C)C1CCC(N2CCN(C(=O)N=c3ccc(C4CC4)n[n-]3)CC2)CC1 ZINC000448145391 500723964 /nfs/dbraw/zinc/72/39/64/500723964.db2.gz CDHMNWNIADKDHM-UHFFFAOYSA-N -1 3 371.529 3.140 20 0 FGADHM Cc1cc(F)cc(-n2cc(C(=O)[N-]c3cc(-c4ccccc4)on3)nn2)c1 ZINC000448154891 500725829 /nfs/dbraw/zinc/72/58/29/500725829.db2.gz JSXYSCJMNQTXPM-UHFFFAOYSA-N -1 3 363.352 3.044 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]CCC[C@H]2CCCC[C@H]2O)c(Cl)cc1F ZINC000443482082 500729538 /nfs/dbraw/zinc/72/95/38/500729538.db2.gz HAOBWHNIOQKGEP-IUODEOHRSA-N -1 3 363.882 3.397 20 0 FGADHM CC[C@@H]1C[C@H]1NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000438075300 500734689 /nfs/dbraw/zinc/73/46/89/500734689.db2.gz IFPOQEAYRVFATF-NIKGAXFTSA-N -1 3 352.434 3.168 20 0 FGADHM COc1ccc(NC(=O)CSCC(=O)Nc2ccc(C)cc2)c([O-])c1 ZINC000443559607 500737617 /nfs/dbraw/zinc/73/76/17/500737617.db2.gz NJKGFAIUXHFGDF-UHFFFAOYSA-N -1 3 360.435 3.020 20 0 FGADHM O=C(COCCc1ccccc1)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000443565313 500739263 /nfs/dbraw/zinc/73/92/63/500739263.db2.gz GMXDVFDTGIBICR-UHFFFAOYSA-N -1 3 355.312 3.489 20 0 FGADHM COC(=O)c1[n-]c(=N[C@H]2CCc3[nH]c4ccc(C)cc4c3C2)sc1C ZINC000433778435 500743484 /nfs/dbraw/zinc/74/34/84/500743484.db2.gz XVHAPXWRLUOBEB-LBPRGKRZSA-N -1 3 355.463 3.419 20 0 FGADHM CC[C@@H](CSc1ccc(C)c(C)c1)[N-]S(=O)(=O)c1cn(C)c(C)n1 ZINC000443718043 500758145 /nfs/dbraw/zinc/75/81/45/500758145.db2.gz LCGIIKQDCKTBGA-HNNXBMFYSA-N -1 3 367.540 3.195 20 0 FGADHM COC(=O)c1ccc(C(=O)[N-]c2cc(-c3ccccc3F)on2)c(F)c1 ZINC000448488910 500764321 /nfs/dbraw/zinc/76/43/21/500764321.db2.gz FDTKRIHJYZQUMD-UHFFFAOYSA-N -1 3 358.300 3.081 20 0 FGADHM COCc1ccccc1CS(=O)(=O)[N-]c1n[nH]c(-c2ccccc2)c1C ZINC000570720473 506215161 /nfs/dbraw/zinc/21/51/61/506215161.db2.gz KCXOVYLFHKWKTG-UHFFFAOYSA-N -1 3 371.462 3.473 20 0 FGADHM Cc1ccc(-c2nnc(NC(=O)COc3cccc(OCC(C)C)c3)[n-]2)o1 ZINC000448515961 500767071 /nfs/dbraw/zinc/76/70/71/500767071.db2.gz TWPVXKZTLJXDFJ-UHFFFAOYSA-N -1 3 370.409 3.425 20 0 FGADHM Cc1ccc(-c2n[n-]c(NC(=O)COc3cccc(OCC(C)C)c3)n2)o1 ZINC000448515961 500767072 /nfs/dbraw/zinc/76/70/72/500767072.db2.gz TWPVXKZTLJXDFJ-UHFFFAOYSA-N -1 3 370.409 3.425 20 0 FGADHM Cc1ccc(-c2nc(NC(=O)COc3cccc(OCC(C)C)c3)n[n-]2)o1 ZINC000448515961 500767075 /nfs/dbraw/zinc/76/70/75/500767075.db2.gz TWPVXKZTLJXDFJ-UHFFFAOYSA-N -1 3 370.409 3.425 20 0 FGADHM COc1ccccc1[C@H](CNC(=O)Cc1ccc([O-])c(F)c1)N1CCCC1 ZINC000448583173 500776977 /nfs/dbraw/zinc/77/69/77/500776977.db2.gz REXNOPUKOQCKSU-SFHVURJKSA-N -1 3 372.440 3.036 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)[C@H](C)Oc3cccc(Cl)c3)[n-]c21 ZINC000438367947 500777643 /nfs/dbraw/zinc/77/76/43/500777643.db2.gz YXLPVJCTKCQKAO-JTQLQIEISA-N -1 3 373.796 3.409 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@H](C)Oc3cccc(Cl)c3)nc21 ZINC000438367947 500777645 /nfs/dbraw/zinc/77/76/45/500777645.db2.gz YXLPVJCTKCQKAO-JTQLQIEISA-N -1 3 373.796 3.409 20 0 FGADHM CC[C@H](C)[C@H]([N-]S(=O)(=O)c1ccc(C(=O)OC)c(C)c1)C(F)(F)F ZINC000443944761 500781825 /nfs/dbraw/zinc/78/18/25/500781825.db2.gz NXEQHOPTEZYKLU-ZANVPECISA-N -1 3 367.389 3.037 20 0 FGADHM COc1ccc(CN[C@H](C)c2ccncc2OC)c(Br)c1[O-] ZINC000438485913 500791627 /nfs/dbraw/zinc/79/16/27/500791627.db2.gz WPEIGXYGFPTDEN-SNVBAGLBSA-N -1 3 367.243 3.418 20 0 FGADHM COc1ccc(OC)c([C@H](C)[N-]S(=O)(=O)c2ccccc2SC)c1 ZINC000444054079 500797546 /nfs/dbraw/zinc/79/75/46/500797546.db2.gz DCEWHGILBWJLAD-LBPRGKRZSA-N -1 3 367.492 3.465 20 0 FGADHM CN(C)c1nc(C(=O)N(CCc2ccccc2)c2ccccc2)cc(=O)[n-]1 ZINC000434118951 500798877 /nfs/dbraw/zinc/79/88/77/500798877.db2.gz DZMFTTCXIDPWID-UHFFFAOYSA-N -1 3 362.433 3.138 20 0 FGADHM Cc1ccc(C2CC2)c(C(=O)N2CCN(C(=O)c3cccc([O-])c3)CC2)c1 ZINC000582415639 506217326 /nfs/dbraw/zinc/21/73/26/506217326.db2.gz FBEAMXHGEOHDBD-UHFFFAOYSA-N -1 3 364.445 3.176 20 0 FGADHM COC(=O)c1cc(C(=O)[N-]c2nc(-c3c(F)cccc3F)cs2)no1 ZINC000438782851 500820265 /nfs/dbraw/zinc/82/02/65/500820265.db2.gz YZLGRQYEOZQJGF-UHFFFAOYSA-N -1 3 365.317 3.115 20 0 FGADHM O=C(NC[C@@]1(O)CCC[C@@H](C(F)(F)F)C1)c1cc2c(cc1[O-])CCCC2 ZINC000444477780 500852452 /nfs/dbraw/zinc/85/24/52/500852452.db2.gz OXPZVUPTLBKUDS-RDTXWAMCSA-N -1 3 371.399 3.484 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)NCCc2cn(C)c3cc(C)ccc23)c1 ZINC000444530343 500856116 /nfs/dbraw/zinc/85/61/16/500856116.db2.gz XVBZWDMDBGYYAD-UHFFFAOYSA-N -1 3 365.433 3.123 20 0 FGADHM C[C@@H]1C[C@H](NC(=O)c2cc(Cl)cc(Br)c2[O-])CCN1C ZINC000439107868 500857736 /nfs/dbraw/zinc/85/77/36/500857736.db2.gz MRELTEUIDDWFQR-PSASIEDQSA-N -1 3 361.667 3.021 20 0 FGADHM CCO[C@H](C)c1ncc(C(=O)[N-]c2nc3c(s2)C(=O)CCC3)s1 ZINC000439165652 500865851 /nfs/dbraw/zinc/86/58/51/500865851.db2.gz FESFRIDKTXLSFW-MRVPVSSYSA-N -1 3 351.453 3.468 20 0 FGADHM CCOC(=O)c1sc2[n-]c([C@H](C)S[C@@H](C)C(C)=O)nc(=O)c2c1C ZINC000434839180 500900177 /nfs/dbraw/zinc/90/01/77/500900177.db2.gz NSGBXRCIWZAHEI-UWVGGRQHSA-N -1 3 368.480 3.241 20 0 FGADHM CC[C@@H]1Cc2c(Br)cccc2CN1c1nc2nncc-2c(O)[n-]1 ZINC000444863872 500912858 /nfs/dbraw/zinc/91/28/58/500912858.db2.gz GGTOPBLOUAZOFP-SNVBAGLBSA-N -1 3 374.242 3.162 20 0 FGADHM Cc1nc(-c2ccc(NC(=O)NCCCc3ccccn3)cc2)cc(=O)[n-]1 ZINC000435142474 500938073 /nfs/dbraw/zinc/93/80/73/500938073.db2.gz VVUYFDWIKLWRHW-UHFFFAOYSA-N -1 3 363.421 3.307 20 0 FGADHM COCCOc1cnc(-c2noc(-c3cc4ccccc4cc3[O-])n2)cn1 ZINC000445299533 500969443 /nfs/dbraw/zinc/96/94/43/500969443.db2.gz JVDLYKVNLUOBOU-UHFFFAOYSA-N -1 3 364.361 3.078 20 0 FGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2cccc(Cl)c2)s1 ZINC000435430853 500974334 /nfs/dbraw/zinc/97/43/34/500974334.db2.gz AOELKBFMSMYFQK-NWDGAFQWSA-N -1 3 371.867 3.023 20 0 FGADHM C[C@@H]1CCCN(CC[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)C1 ZINC000435432510 500974727 /nfs/dbraw/zinc/97/47/27/500974727.db2.gz NNXQBKJCZNYWBR-SNVBAGLBSA-N -1 3 369.289 3.143 20 0 FGADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H]1CCCN(C(C)C)C1 ZINC000435432216 500974835 /nfs/dbraw/zinc/97/48/35/500974835.db2.gz HUZLXLCJMDMNJD-CQSZACIVSA-N -1 3 354.447 3.031 20 0 FGADHM CCOc1cc(-c2noc([C@H]3CC(=O)N[C@H](CC(C)C)C3)n2)ccc1[O-] ZINC000445425259 500984221 /nfs/dbraw/zinc/98/42/21/500984221.db2.gz CAJCOZDCDRHAEC-ZIAGYGMSSA-N -1 3 359.426 3.249 20 0 FGADHM CC1(C)Cc2cc(S(=O)(=O)[N-]c3ccc4c(c3)CCC(=O)N4)ccc2O1 ZINC000440298614 500994374 /nfs/dbraw/zinc/99/43/74/500994374.db2.gz ZMEWBNGPWOVSBV-UHFFFAOYSA-N -1 3 372.446 3.086 20 0 FGADHM COc1ccc2c(c1)CCN(C(=O)c1c[n-]c3c(C)cccc3c1=O)CC2 ZINC000440337828 500998800 /nfs/dbraw/zinc/99/88/00/500998800.db2.gz CIYXMRNZZZTLMH-UHFFFAOYSA-N -1 3 362.429 3.086 20 0 FGADHM CC(C)OC(=O)CC[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000440372478 501001170 /nfs/dbraw/zinc/00/11/70/501001170.db2.gz FFUHVLHFSIKRCN-UHFFFAOYSA-N -1 3 355.843 3.113 20 0 FGADHM C[C@H](C[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21)N(C)C1CC1 ZINC000440377724 501001459 /nfs/dbraw/zinc/00/14/59/501001459.db2.gz ISULRNROYBUWMA-GFCCVEGCSA-N -1 3 352.887 3.254 20 0 FGADHM CSc1nnc(NC(=O)c2cn(-c3ccc(Cl)c(Cl)c3)cn2)[n-]1 ZINC000435609823 501001861 /nfs/dbraw/zinc/00/18/61/501001861.db2.gz CHXLHKRVAVRQJE-UHFFFAOYSA-N -1 3 369.237 3.271 20 0 FGADHM CSc1n[n-]c(NC(=O)c2cn(-c3ccc(Cl)c(Cl)c3)cn2)n1 ZINC000435609823 501001863 /nfs/dbraw/zinc/00/18/63/501001863.db2.gz CHXLHKRVAVRQJE-UHFFFAOYSA-N -1 3 369.237 3.271 20 0 FGADHM CSc1nc(NC(=O)c2cn(-c3ccc(Cl)c(Cl)c3)cn2)n[n-]1 ZINC000435609823 501001866 /nfs/dbraw/zinc/00/18/66/501001866.db2.gz CHXLHKRVAVRQJE-UHFFFAOYSA-N -1 3 369.237 3.271 20 0 FGADHM CCc1ccnc(C[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)c1 ZINC000435630977 501005389 /nfs/dbraw/zinc/00/53/89/501005389.db2.gz ZZBLOQARTRUBRE-UHFFFAOYSA-N -1 3 362.348 3.280 20 0 FGADHM CCc1[n-][nH]c(=NC(=O)[C@@H]2Cc3ccccc32)c1-c1ccc2c(c1)OCO2 ZINC000440471556 501011858 /nfs/dbraw/zinc/01/18/58/501011858.db2.gz HYVNZSFCYBOISO-OAHLLOKOSA-N -1 3 361.401 3.068 20 0 FGADHM Cc1cscc1-c1noc(CS(=O)(=O)[N-]C2CCC(C)CC2)n1 ZINC000445632527 501014164 /nfs/dbraw/zinc/01/41/64/501014164.db2.gz MBUHNICSANBAEI-UHFFFAOYSA-N -1 3 355.485 3.105 20 0 FGADHM O=C(N[C@@H]1C[C@H]1c1cccc2ccccc21)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000435977341 501053246 /nfs/dbraw/zinc/05/32/46/501053246.db2.gz ZTPQUDBMPMKLRU-PKOBYXMFSA-N -1 3 356.381 3.009 20 0 FGADHM CC(C)[C@H](C(=O)Nc1ccc([O-])c(C(F)(F)F)c1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000440990542 501072369 /nfs/dbraw/zinc/07/23/69/501072369.db2.gz WEFAPJRPRFNLQH-BFQNTYOBSA-N -1 3 374.403 3.483 20 0 FGADHM CCc1nc(C(=O)[N-]c2c(F)cccc2C(=O)OC)nn1-c1ccccc1 ZINC000446101555 501074685 /nfs/dbraw/zinc/07/46/85/501074685.db2.gz ZQJJBPBVQYRXTC-UHFFFAOYSA-N -1 3 368.368 3.008 20 0 FGADHM COC(=O)c1cccc(F)c1[N-]C(=O)c1cnc(-c2ccncc2)s1 ZINC000446111712 501076641 /nfs/dbraw/zinc/07/66/41/501076641.db2.gz LHHYHDDDKXVOLP-UHFFFAOYSA-N -1 3 357.366 3.383 20 0 FGADHM COc1ccc(SCCCC(=O)Nc2nnc(-c3ccccn3)[n-]2)cc1 ZINC000436140774 501076990 /nfs/dbraw/zinc/07/69/90/501076990.db2.gz SSKLIHLMDZEOIV-UHFFFAOYSA-N -1 3 369.450 3.386 20 0 FGADHM COc1ccc(SCCCC(=O)Nc2nc(-c3ccccn3)n[n-]2)cc1 ZINC000436140774 501076993 /nfs/dbraw/zinc/07/69/93/501076993.db2.gz SSKLIHLMDZEOIV-UHFFFAOYSA-N -1 3 369.450 3.386 20 0 FGADHM COc1ccc(SCCCC(=O)Nc2n[n-]c(-c3ccccn3)n2)cc1 ZINC000436140774 501076995 /nfs/dbraw/zinc/07/69/95/501076995.db2.gz SSKLIHLMDZEOIV-UHFFFAOYSA-N -1 3 369.450 3.386 20 0 FGADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)N[C@@H]1C[C@]1(C)c1ccccc1 ZINC000607704141 506233343 /nfs/dbraw/zinc/23/33/43/506233343.db2.gz GOTMBGCVRUCSGM-IIBYNOLFSA-N -1 3 362.433 3.011 20 0 FGADHM CC(C)CC(CC(C)C)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000449799745 501089928 /nfs/dbraw/zinc/08/99/28/501089928.db2.gz AHSRWNMSXNWPST-UHFFFAOYSA-N -1 3 360.498 3.385 20 0 FGADHM O=C(NCCNC(=O)[C@@H]1CCCC[C@@H]1c1ccccc1)c1ccc([O-])cc1 ZINC000449811107 501093834 /nfs/dbraw/zinc/09/38/34/501093834.db2.gz OYKYBAWQGHVRRJ-WOJBJXKFSA-N -1 3 366.461 3.212 20 0 FGADHM CCn1nc(C)c(CC(=O)N=c2cc(-c3cc(C)c(C)cc3C)[n-][nH]2)c1C ZINC000449816694 501095551 /nfs/dbraw/zinc/09/55/51/501095551.db2.gz ZQSKTZUXHJWVAF-UHFFFAOYSA-N -1 3 365.481 3.438 20 0 FGADHM CCC[C@H](O)CN(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000450353532 501098012 /nfs/dbraw/zinc/09/80/12/501098012.db2.gz ZDCFQYRXEWSLEJ-SFHVURJKSA-N -1 3 362.495 3.080 20 0 FGADHM CCc1c([N-]C(=O)[C@@H]2Oc3ccccc3O[C@@H]2C)onc1C(F)(F)F ZINC000582461825 506235815 /nfs/dbraw/zinc/23/58/15/506235815.db2.gz UDCHXUFNSXFXLY-PRHODGIISA-N -1 3 356.300 3.423 20 0 FGADHM Cc1nnc([C@@H]2Cc3ccccc3CN2C(=O)Cc2ccc([O-])c(F)c2)o1 ZINC000449951060 501135748 /nfs/dbraw/zinc/13/57/48/501135748.db2.gz SHCHNKZUQYDJAW-KRWDZBQOSA-N -1 3 367.380 3.091 20 0 FGADHM CO[C@@H](C)CS(=O)(=O)[N-]c1ccc(Oc2nc(C)cs2)c(F)c1 ZINC000436479078 501135740 /nfs/dbraw/zinc/13/57/40/501135740.db2.gz SJWBWWDJBXDOSC-JTQLQIEISA-N -1 3 360.432 3.160 20 0 FGADHM CSc1ccccc1[C@@H](C)NC(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC000436483346 501136463 /nfs/dbraw/zinc/13/64/63/501136463.db2.gz CDJMPUFZONLGMW-CQSZACIVSA-N -1 3 372.490 3.420 20 0 FGADHM COc1cccc(Cc2nnc(NC(=O)c3cc(OC)ccc3[O-])s2)c1 ZINC000436493713 501138692 /nfs/dbraw/zinc/13/86/92/501138692.db2.gz YDKLIWXEUYWBEZ-UHFFFAOYSA-N -1 3 371.418 3.104 20 0 FGADHM Cc1ccc(C(=O)Nc2ccc(Cl)c(N3CCNC3=O)c2)c([O-])c1C ZINC000436497713 501140015 /nfs/dbraw/zinc/14/00/15/501140015.db2.gz UFGPQKMOSNUOCT-UHFFFAOYSA-N -1 3 359.813 3.444 20 0 FGADHM CCc1noc(-c2ccc(CCNC(=O)c3cccc(C)c3[O-])cc2)n1 ZINC000436518635 501146525 /nfs/dbraw/zinc/14/65/25/501146525.db2.gz ROWQVKISOQBKEM-UHFFFAOYSA-N -1 3 351.406 3.286 20 0 FGADHM O=C(c1ccc2c(c1[O-])CCCC2)N1CCO[C@@H](COc2ccccc2)C1 ZINC000436522965 501147152 /nfs/dbraw/zinc/14/71/52/501147152.db2.gz PDLSSYWMPBKYIH-GOSISDBHSA-N -1 3 367.445 3.191 20 0 FGADHM CCOc1ccccc1CN1CCN(C(=O)c2ccccc2[O-])[C@@H](C)C1 ZINC000436522441 501147420 /nfs/dbraw/zinc/14/74/20/501147420.db2.gz ULRPSBHKCNCGGM-INIZCTEOSA-N -1 3 354.450 3.137 20 0 FGADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCN(CC(F)F)CC1 ZINC000436534334 501150079 /nfs/dbraw/zinc/15/00/79/501150079.db2.gz OQDQITQKUZEUBQ-UHFFFAOYSA-N -1 3 362.376 3.207 20 0 FGADHM C[C@H]1CN(Cc2ccccc2CNC(=O)c2cc(F)ccc2[O-])C[C@H](C)O1 ZINC000436538380 501150787 /nfs/dbraw/zinc/15/07/87/501150787.db2.gz IEPVFQVQCHUMRO-GJZGRUSLSA-N -1 3 372.440 3.071 20 0 FGADHM O=C(N[C@H]1CCc2n[nH]cc2C1)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436541637 501151557 /nfs/dbraw/zinc/15/15/57/501151557.db2.gz YSQARJIYIAUWBM-SFHVURJKSA-N -1 3 361.445 3.188 20 0 FGADHM COc1ccc(C(=O)Nc2ccc(OCCN(C)C)c(Cl)c2)c([O-])c1 ZINC000436545115 501152764 /nfs/dbraw/zinc/15/27/64/501152764.db2.gz RBMNLWOBUQFNMJ-UHFFFAOYSA-N -1 3 364.829 3.247 20 0 FGADHM Cc1nc([C@H](NC(=O)c2ccc(C)c(C)c2[O-])c2ccccc2F)no1 ZINC000436543624 501152777 /nfs/dbraw/zinc/15/27/77/501152777.db2.gz GDVDCIQZPLPQAZ-MRXNPFEDSA-N -1 3 355.369 3.359 20 0 FGADHM COCCCN(CCc1ccc(OC)cc1)C(=O)c1cc(C)ccc1[O-] ZINC000436549396 501154127 /nfs/dbraw/zinc/15/41/27/501154127.db2.gz PRXPORDYDGVFEN-UHFFFAOYSA-N -1 3 357.450 3.431 20 0 FGADHM O=C(N[C@@H]1CCN(c2ccccc2Br)C1)c1ccccc1[O-] ZINC000436549250 501154458 /nfs/dbraw/zinc/15/44/58/501154458.db2.gz UKQHUHZSPUABKT-GFCCVEGCSA-N -1 3 361.239 3.163 20 0 FGADHM Cc1ccc(C(=O)Nc2cccc(C(=O)N3CCOCC3)c2C)c([O-])c1C ZINC000436551063 501155217 /nfs/dbraw/zinc/15/52/17/501155217.db2.gz WOLXNPHPRNYUEY-UHFFFAOYSA-N -1 3 368.433 3.042 20 0 FGADHM Cc1ccc(C(=O)N(C)[C@H]2CCCN(c3ccccc3)C2=O)c([O-])c1C ZINC000436556265 501155983 /nfs/dbraw/zinc/15/59/83/501155983.db2.gz RNGSPRMZMIZZSL-SFHVURJKSA-N -1 3 352.434 3.277 20 0 FGADHM CC1(C)Cc2ccc(C(=O)Nc3ccc(NC(=O)C4CC4)nc3)c([O-])c2O1 ZINC000436554639 501156212 /nfs/dbraw/zinc/15/62/12/501156212.db2.gz GRUWMJAYPCGZPT-UHFFFAOYSA-N -1 3 367.405 3.102 20 0 FGADHM O=C(Cc1cccc(Cl)c1)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436567706 501158825 /nfs/dbraw/zinc/15/88/25/501158825.db2.gz UCOQOZMYODISCF-UHFFFAOYSA-N -1 3 372.852 3.009 20 0 FGADHM Cc1ccc(C(=O)N2CCCC[C@H]2CNC(=O)c2ccccc2)c([O-])c1C ZINC000436573443 501160400 /nfs/dbraw/zinc/16/04/00/501160400.db2.gz CMDWPFZQFYQKPV-SFHVURJKSA-N -1 3 366.461 3.434 20 0 FGADHM COC(=O)c1c(CC(C)C)csc1[N-]C(=O)C(=O)N1CCCC[C@@H]1C ZINC000441651361 501161669 /nfs/dbraw/zinc/16/16/69/501161669.db2.gz XLCORPWFZHPJKZ-LBPRGKRZSA-N -1 3 366.483 3.073 20 0 FGADHM Cc1ccc(C(=O)N[C@H](C)c2nc(Cc3ccccc3)no2)c([O-])c1C ZINC000436581254 501162539 /nfs/dbraw/zinc/16/25/39/501162539.db2.gz AHOZGHQSZSBLHG-CQSZACIVSA-N -1 3 351.406 3.474 20 0 FGADHM Cc1ccc(C(=O)N2CCOC[C@@H]2CC(=O)c2cccs2)c([O-])c1C ZINC000436587590 501164015 /nfs/dbraw/zinc/16/40/15/501164015.db2.gz XJSLYEKQOTXZGS-AWEZNQCLSA-N -1 3 359.447 3.185 20 0 FGADHM CCc1cnc(N2CCN(C(=O)c3cc4c(cc3[O-])CCCC4)CC2)s1 ZINC000436586375 501164364 /nfs/dbraw/zinc/16/43/64/501164364.db2.gz BMSJFMPXZLGQHY-UHFFFAOYSA-N -1 3 371.506 3.252 20 0 FGADHM CC[C@H](C)n1ncc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])c1C ZINC000436596700 501166382 /nfs/dbraw/zinc/16/63/82/501166382.db2.gz ROBYFDCABYQXNV-SUMWQHHRSA-N -1 3 370.453 3.111 20 0 FGADHM O=C(c1ccc(Br)cc1[O-])N1CCN(C2CCCCC2)CC1 ZINC000436597164 501166702 /nfs/dbraw/zinc/16/67/02/501166702.db2.gz PDPQDQFMWATPPX-UHFFFAOYSA-N -1 3 367.287 3.245 20 0 FGADHM O=C(NCCc1csc(=O)[nH]1)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436597355 501166884 /nfs/dbraw/zinc/16/68/84/501166884.db2.gz UWIFQWLCJKKITB-UHFFFAOYSA-N -1 3 370.430 3.106 20 0 FGADHM CN(Cc1ccc(F)cc1Br)C(=O)c1ccc(O)cc1[O-] ZINC000436597135 501167023 /nfs/dbraw/zinc/16/70/23/501167023.db2.gz TUVIJLJLHFMTRA-UHFFFAOYSA-N -1 3 354.175 3.272 20 0 FGADHM CCCN(CCN1CCCC1)C(=O)c1cc(Cl)c([O-])c(OCC)c1 ZINC000436621994 501172062 /nfs/dbraw/zinc/17/20/62/501172062.db2.gz WNTOVLPIZFGRHU-UHFFFAOYSA-N -1 3 354.878 3.392 20 0 FGADHM CC(C)c1ccc(C(=O)NC[C@@H](c2cccs2)N2CCOCC2)c([O-])c1 ZINC000436627477 501172744 /nfs/dbraw/zinc/17/27/44/501172744.db2.gz TYRYBAWZKVWBOH-KRWDZBQOSA-N -1 3 374.506 3.380 20 0 FGADHM C[C@@H]1CCCC[C@@H]1CCNC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436627939 501172898 /nfs/dbraw/zinc/17/28/98/501172898.db2.gz VZQLRBXJOUJIDT-JFIYKMOQSA-N -1 3 358.482 3.329 20 0 FGADHM C[C@@H](CNC(=O)c1c([O-])cccc1O)Oc1cccc(Br)c1 ZINC000436645950 501177302 /nfs/dbraw/zinc/17/73/02/501177302.db2.gz FJFFTZVHCIEVMR-JTQLQIEISA-N -1 3 366.211 3.058 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(NCC[C@H](OC)C(CC)CC)nc2)n1 ZINC000446884890 501178052 /nfs/dbraw/zinc/17/80/52/501178052.db2.gz SDLWBEDSHVKIDN-KRWDZBQOSA-N -1 3 358.486 3.482 20 0 FGADHM CC(C)[C@@H](NC(=O)c1cc(Cc2ccccc2)ccc1[O-])c1ncon1 ZINC000436650947 501178965 /nfs/dbraw/zinc/17/89/65/501178965.db2.gz SUDKSQLACQVBJL-GOSISDBHSA-N -1 3 351.406 3.493 20 0 FGADHM Cc1cc(-c2noc([C@H](C)NC(=O)c3c([O-])cccc3O)n2)ccc1F ZINC000436650429 501179039 /nfs/dbraw/zinc/17/90/39/501179039.db2.gz ZZBQKGJQUCDMDE-JTQLQIEISA-N -1 3 357.341 3.086 20 0 FGADHM CC(C)COc1cccc(CN2CCN(C(=O)c3ccccc3[O-])CC2)c1 ZINC000436650952 501180057 /nfs/dbraw/zinc/18/00/57/501180057.db2.gz SVIROWXYEADLSZ-UHFFFAOYSA-N -1 3 368.477 3.385 20 0 FGADHM CCCN(CCN1CCCCC1)C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000436655426 501180716 /nfs/dbraw/zinc/18/07/16/501180716.db2.gz MRHSPBIQUPAEAN-UHFFFAOYSA-N -1 3 354.878 3.392 20 0 FGADHM Cc1nccnc1CCNC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436667191 501183489 /nfs/dbraw/zinc/18/34/89/501183489.db2.gz WTYTTZSCVICNFW-UHFFFAOYSA-N -1 3 363.417 3.042 20 0 FGADHM CC(C)c1ccccc1S(=O)(=O)[N-][C@@H](c1cnn(C)c1)C(F)(F)F ZINC000446945263 501184731 /nfs/dbraw/zinc/18/47/31/501184731.db2.gz ZKYSQBMZKOUYBY-AWEZNQCLSA-N -1 3 361.389 3.125 20 0 FGADHM CCC[C@@H]1CCc2nc(NC(=O)NCc3cnc(C)[n-]c3=O)sc2C1 ZINC000441935174 501186216 /nfs/dbraw/zinc/18/62/16/501186216.db2.gz RCFPJORZQFIAJI-LLVKDONJSA-N -1 3 361.471 3.174 20 0 FGADHM COc1ccc(CCNC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)cc1F ZINC000436680163 501186759 /nfs/dbraw/zinc/18/67/59/501186759.db2.gz IYFMPYHOOWTPGJ-UHFFFAOYSA-N -1 3 359.397 3.226 20 0 FGADHM O=C(NCc1cc(F)c(F)cc1Br)c1ccc(O)cc1[O-] ZINC000436684504 501187536 /nfs/dbraw/zinc/18/75/36/501187536.db2.gz BIJSWPZFZQRQPU-UHFFFAOYSA-N -1 3 358.138 3.069 20 0 FGADHM CC1(C)Cc2ccc(C(=O)Nc3cccc(N4CCCC4=O)c3)c([O-])c2O1 ZINC000436682916 501187558 /nfs/dbraw/zinc/18/75/58/501187558.db2.gz RRJBWHHKDYZJTM-UHFFFAOYSA-N -1 3 366.417 3.485 20 0 FGADHM COCCOc1cccc(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)c1 ZINC000436684276 501187582 /nfs/dbraw/zinc/18/75/82/501187582.db2.gz ZSZYCFTXTIOPQI-UHFFFAOYSA-N -1 3 357.406 3.383 20 0 FGADHM COc1cc(-c2nc([C@H]3CCOc4ccccc43)no2)cc(OC)c1[O-] ZINC000436692653 501189402 /nfs/dbraw/zinc/18/94/02/501189402.db2.gz YACOBFIGKNXJJR-ZDUSSCGKSA-N -1 3 354.362 3.374 20 0 FGADHM Cc1ccccc1-c1cc(=NC(=O)C(=O)Nc2ccc(Cl)cc2F)[nH][n-]1 ZINC000436693134 501190104 /nfs/dbraw/zinc/19/01/04/501190104.db2.gz QQURXFAWYSDPFE-UHFFFAOYSA-N -1 3 372.787 3.177 20 0 FGADHM CN(C)Cc1ccc(CNC(=O)c2cc(Br)ccc2[O-])cc1 ZINC000436694932 501190642 /nfs/dbraw/zinc/19/06/42/501190642.db2.gz DMTOLMRHYUXXNN-UHFFFAOYSA-N -1 3 363.255 3.146 20 0 FGADHM CCCCNC(=O)c1cc(CN2C(=O)c3ccccc3C2=O)cc(C)c1[O-] ZINC000436702187 501191248 /nfs/dbraw/zinc/19/12/48/501191248.db2.gz HDUAQYYZJAJTLP-UHFFFAOYSA-N -1 3 366.417 3.027 20 0 FGADHM CCOc1nc2cc(C(=O)N[C@@H]3CCc4cn(C(C)C)nc4C3)ccc2[n-]1 ZINC000450141622 501191718 /nfs/dbraw/zinc/19/17/18/501191718.db2.gz JUKDBZBUSXBPJY-OAHLLOKOSA-N -1 3 367.453 3.026 20 0 FGADHM CCOc1nc2ccc(C(=O)N[C@@H]3CCc4cn(C(C)C)nc4C3)cc2[n-]1 ZINC000450141622 501191724 /nfs/dbraw/zinc/19/17/24/501191724.db2.gz JUKDBZBUSXBPJY-OAHLLOKOSA-N -1 3 367.453 3.026 20 0 FGADHM O=C(N[C@@H](CO)CC(F)(F)F)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436707595 501193226 /nfs/dbraw/zinc/19/32/26/501193226.db2.gz XVSBMTKYFLFHQL-OAHLLOKOSA-N -1 3 367.367 3.221 20 0 FGADHM COc1cccc(C(=O)N[C@@H]2CC[C@H](c3ccccc3)C[C@@H]2OC)c1[O-] ZINC000436712261 501194616 /nfs/dbraw/zinc/19/46/16/501194616.db2.gz FLJGYSVLTYSDHE-WDYCEAGBSA-N -1 3 355.434 3.482 20 0 FGADHM C[S@](=O)Cc1ccc(CNC(=O)c2cc3c(cc2[O-])CCCC3)cc1 ZINC000436712663 501194890 /nfs/dbraw/zinc/19/48/90/501194890.db2.gz OTHHTOVDQQCDGO-VWLOTQADSA-N -1 3 357.475 3.080 20 0 FGADHM O=C(Nc1cccc2c1CN(c1nccs1)C2)c1c([O-])cccc1O ZINC000436720897 501196336 /nfs/dbraw/zinc/19/63/36/501196336.db2.gz GGHQCMIIEYQZBK-UHFFFAOYSA-N -1 3 353.403 3.327 20 0 FGADHM O=C(NC1CCN(CCOc2ccc(Cl)cc2)CC1)c1ccccc1[O-] ZINC000436718742 501196413 /nfs/dbraw/zinc/19/64/13/501196413.db2.gz LRCPURUVMDFMRL-UHFFFAOYSA-N -1 3 374.868 3.319 20 0 FGADHM CN(C)C[C@H](NC(=O)c1cc(F)c([O-])c(F)c1)c1ccc(Cl)cc1 ZINC000436723563 501196867 /nfs/dbraw/zinc/19/68/67/501196867.db2.gz OCZFBYUBIFEAPV-HNNXBMFYSA-N -1 3 354.784 3.357 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@@H]3CCO[C@@H](C(C)C)C3)nc2)n1 ZINC000450737674 501197814 /nfs/dbraw/zinc/19/78/14/501197814.db2.gz LVJMJYWHNOUODS-RHSMWYFYSA-N -1 3 356.470 3.092 20 0 FGADHM COc1cc2c(cc1OC)CN(C(=O)c1cc3c(cc1[O-])CCCC3)CC2 ZINC000436726201 501198018 /nfs/dbraw/zinc/19/80/18/501198018.db2.gz XGQKDDTWDBXOCR-UHFFFAOYSA-N -1 3 367.445 3.487 20 0 FGADHM CN(CC(=O)NC(c1ccccc1)c1ccccc1)C(=O)c1ccccc1[O-] ZINC000436738421 501201658 /nfs/dbraw/zinc/20/16/58/501201658.db2.gz LQFQEXIQXHTEGJ-UHFFFAOYSA-N -1 3 374.440 3.370 20 0 FGADHM CCCCOc1ccc(C(=O)N2CC[C@H](C(=O)OC)[C@@H]2C(C)C)c([O-])c1 ZINC000436746838 501202960 /nfs/dbraw/zinc/20/29/60/501202960.db2.gz IPBSDZSYOTWGOG-WMZOPIPTSA-N -1 3 363.454 3.231 20 0 FGADHM Cc1cc(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)ccc1OCCO ZINC000436748835 501204008 /nfs/dbraw/zinc/20/40/08/501204008.db2.gz HRJPPFJTLBRBFB-UHFFFAOYSA-N -1 3 357.406 3.038 20 0 FGADHM COc1cc(C)cc(C(=O)Nc2ccc(N3CCCC3=O)c(OC)c2)c1[O-] ZINC000436753792 501205031 /nfs/dbraw/zinc/20/50/31/501205031.db2.gz GEHAPZGGYSXJKL-UHFFFAOYSA-N -1 3 370.405 3.097 20 0 FGADHM Cc1cccc(C(=O)Nc2ccc(N3CCOCC3)c3ccncc23)c1[O-] ZINC000436758519 501205733 /nfs/dbraw/zinc/20/57/33/501205733.db2.gz ZJLSESOMBKXODU-UHFFFAOYSA-N -1 3 363.417 3.338 20 0 FGADHM Cc1ccc(C(=O)Nc2cccc(NC(=O)[C@@H](C)n3cccn3)c2)c([O-])c1 ZINC000436760935 501207032 /nfs/dbraw/zinc/20/70/32/501207032.db2.gz UKLVEOSODFFSOV-CQSZACIVSA-N -1 3 364.405 3.349 20 0 FGADHM C[C@H](NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2)c1nc2ccccc2[nH]1 ZINC000436770143 501208614 /nfs/dbraw/zinc/20/86/14/501208614.db2.gz NOXINEVIKRGDBT-NSHDSACASA-N -1 3 351.406 3.473 20 0 FGADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(F)c2F)cc1 ZINC000442220849 501208730 /nfs/dbraw/zinc/20/87/30/501208730.db2.gz QIEVYCFTEJJKIQ-UHFFFAOYSA-N -1 3 361.753 3.206 20 0 FGADHM CC(C)N(C)S(=O)(=O)c1cccc(-c2nc(-c3ccc([O-])cc3)no2)c1 ZINC000436770504 501208872 /nfs/dbraw/zinc/20/88/72/501208872.db2.gz RNCHRBSVQUUDHF-UHFFFAOYSA-N -1 3 373.434 3.138 20 0 FGADHM COc1ccc(NC(=O)c2ccc(C)c(C)c2[O-])cc1N1CCCC1=O ZINC000436778942 501210462 /nfs/dbraw/zinc/21/04/62/501210462.db2.gz SUSTWTLKSRHDQV-UHFFFAOYSA-N -1 3 354.406 3.397 20 0 FGADHM COc1cc(-c2noc(-c3sc(-c4ncccn4)nc3C)n2)ccc1[O-] ZINC000436785002 501211017 /nfs/dbraw/zinc/21/10/17/501211017.db2.gz NMGGVTGDRYPXEB-UHFFFAOYSA-N -1 3 367.390 3.340 20 0 FGADHM COc1cc(-c2noc(-c3ccn(-c4ccccc4F)n3)n2)ccc1[O-] ZINC000436791413 501212410 /nfs/dbraw/zinc/21/24/10/501212410.db2.gz RMCHRWXESWHPDA-UHFFFAOYSA-N -1 3 352.325 3.443 20 0 FGADHM COc1cccc(C(=O)NC[C@@H](c2ccc(SC)cc2)N(C)C)c1[O-] ZINC000436801251 501213582 /nfs/dbraw/zinc/21/35/82/501213582.db2.gz QZFXRROWZOTPKQ-INIZCTEOSA-N -1 3 360.479 3.155 20 0 FGADHM CC1(C)CN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])CC(C)(C)C1 ZINC000436805009 501214024 /nfs/dbraw/zinc/21/40/24/501214024.db2.gz CMYPUGORZQHCLF-INIZCTEOSA-N -1 3 358.482 3.282 20 0 FGADHM CSc1ccc([C@@H](CNC(=O)c2cc(F)c([O-])c(F)c2)N(C)C)cc1 ZINC000436806884 501214299 /nfs/dbraw/zinc/21/42/99/501214299.db2.gz WTAUSZUJGPPRPA-MRXNPFEDSA-N -1 3 366.433 3.425 20 0 FGADHM Cc1ccc(C(=O)N(Cc2ccccc2)C[C@@]2(O)CCO[C@H]2C)c([O-])c1C ZINC000436809577 501214783 /nfs/dbraw/zinc/21/47/83/501214783.db2.gz UJPSGBYVIXVKDF-JTSKRJEESA-N -1 3 369.461 3.191 20 0 FGADHM COCCN(C(=O)c1cc(Oc2ccccc2)ccc1[O-])[C@H]1CCO[C@@H]1C ZINC000436819139 501216585 /nfs/dbraw/zinc/21/65/85/501216585.db2.gz CQMNSGYWLZAVNY-BEFAXECRSA-N -1 3 371.433 3.451 20 0 FGADHM O=C(Nc1cccc(CN2CC[C@@H](O)C2)c1)c1ccc2ccccc2c1[O-] ZINC000436830104 501217860 /nfs/dbraw/zinc/21/78/60/501217860.db2.gz CMOVQNVMHHRKSJ-GOSISDBHSA-N -1 3 362.429 3.364 20 0 FGADHM COc1ccncc1CNC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436837022 501219019 /nfs/dbraw/zinc/21/90/19/501219019.db2.gz IQKOBQXXLMNKSI-UHFFFAOYSA-N -1 3 364.401 3.305 20 0 FGADHM CNC(=O)[C@H](CCSC)NC(=O)c1cc(C(C)C)cc(C(C)C)c1[O-] ZINC000436844704 501220165 /nfs/dbraw/zinc/22/01/65/501220165.db2.gz PKYLDASNYULRTQ-INIZCTEOSA-N -1 3 366.527 3.237 20 0 FGADHM COC(=O)[C@]1(c2ccccc2)CCN(C(=O)c2ccc(C(C)C)cc2[O-])C1 ZINC000436855894 501221837 /nfs/dbraw/zinc/22/18/37/501221837.db2.gz KYECNZUWIHZWKG-JOCHJYFZSA-N -1 3 367.445 3.473 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N[C@@H]2CCC[C@@H]2c2ccccc2)c([O-])c1 ZINC000436861415 501222747 /nfs/dbraw/zinc/22/27/47/501222747.db2.gz DSEXORCRPYZTPH-IEBWSBKVSA-N -1 3 366.461 3.273 20 0 FGADHM COc1ccc(CCNC(=O)c2cc(OC)c([O-])c(OC)c2)c(Cl)c1 ZINC000436863301 501223561 /nfs/dbraw/zinc/22/35/61/501223561.db2.gz IMBHFBOFKBTWOE-UHFFFAOYSA-N -1 3 365.813 3.044 20 0 FGADHM CCOc1cc(-c2noc(-c3ccc(N(C)C(C)=O)cc3)n2)ccc1[O-] ZINC000436878923 501226035 /nfs/dbraw/zinc/22/60/35/501226035.db2.gz VSZIGKQXXRRGMI-UHFFFAOYSA-N -1 3 353.378 3.491 20 0 FGADHM CC(C)[C@@H]1CN(C(=O)c2cc(OCc3ccccc3)ccc2[O-])CCO1 ZINC000436887011 501227076 /nfs/dbraw/zinc/22/70/76/501227076.db2.gz IJSXRATXTPTJQK-FQEVSTJZSA-N -1 3 355.434 3.468 20 0 FGADHM CCc1noc(-c2cc(CN3C(=O)c4ccccc4C3=O)cc(C)c2[O-])n1 ZINC000436897005 501229034 /nfs/dbraw/zinc/22/90/34/501229034.db2.gz PMGCHRTVMOUNHI-UHFFFAOYSA-N -1 3 363.373 3.109 20 0 FGADHM Cc1ccc(NC(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)c(F)c1 ZINC000436916594 501231820 /nfs/dbraw/zinc/23/18/20/501231820.db2.gz AEYQIRQFGURHBV-UHFFFAOYSA-N -1 3 371.412 3.266 20 0 FGADHM CC(=O)c1[n-]c(=NC[C@@H](c2cccs2)N2CCO[C@@H](C)C2)sc1C ZINC000450322409 501233665 /nfs/dbraw/zinc/23/36/65/501233665.db2.gz YXKPJNROONZKNU-FZMZJTMJSA-N -1 3 365.524 3.011 20 0 FGADHM O=S(=O)([N-]CCCN1CCc2ccccc2C1)c1sccc1Cl ZINC000451027590 501240465 /nfs/dbraw/zinc/24/04/65/501240465.db2.gz AZUAEKWOAXGRBH-UHFFFAOYSA-N -1 3 370.927 3.128 20 0 FGADHM Cc1nn(C)c2ncc(S(=O)(=O)[N-]c3cc(C)c(C)cc3Cl)cc12 ZINC000451080134 501243917 /nfs/dbraw/zinc/24/39/17/501243917.db2.gz JQFAFWBCDIUWEJ-UHFFFAOYSA-N -1 3 364.858 3.348 20 0 FGADHM CC(C)(C)c1csc(C[N-]S(=O)(=O)CCOCc2ccccc2)n1 ZINC000451170616 501249639 /nfs/dbraw/zinc/24/96/39/501249639.db2.gz FOBXWDFOSNJVJO-UHFFFAOYSA-N -1 3 368.524 3.077 20 0 FGADHM CC[C@@H]([N-]S(=O)(=O)c1cccnc1C(=O)OC)c1ccc(Cl)s1 ZINC000451201590 501251690 /nfs/dbraw/zinc/25/16/90/501251690.db2.gz LWRTUAJNHWJNQO-SECBINFHSA-N -1 3 374.871 3.013 20 0 FGADHM COC(=O)[C@@H](CC(C)C)N(C)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000451265969 501256220 /nfs/dbraw/zinc/25/62/20/501256220.db2.gz MBFMRJYCYBKHJH-CYBMUJFWSA-N -1 3 357.410 3.101 20 0 FGADHM COC1CCC(C[N-]S(=O)(=O)c2ccc3ccccc3c2F)CC1 ZINC000451293088 501258284 /nfs/dbraw/zinc/25/82/84/501258284.db2.gz UWORTAVXMHEWQG-UHFFFAOYSA-N -1 3 351.443 3.462 20 0 FGADHM CC(C)(C)OC(=O)c1ccc(C(=O)N2CCCc3cccc([O-])c32)nc1 ZINC000592784664 506243493 /nfs/dbraw/zinc/24/34/93/506243493.db2.gz OORIYLZTPGGKGF-UHFFFAOYSA-N -1 3 354.406 3.336 20 0 FGADHM COC(=O)c1ncccc1S(=O)(=O)[N-]C1CCC2(CCCCC2)CC1 ZINC000451445710 501294219 /nfs/dbraw/zinc/29/42/19/501294219.db2.gz MWVMDCLGBFUSGI-UHFFFAOYSA-N -1 3 366.483 3.040 20 0 FGADHM O=C(Cc1ccc([O-])c(F)c1)N1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000451528474 501313956 /nfs/dbraw/zinc/31/39/56/501313956.db2.gz 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ZINC000451920737 501401809 /nfs/dbraw/zinc/40/18/09/501401809.db2.gz XZCJGKZCRPZXAZ-QWRGUYRKSA-N -1 3 362.854 3.008 20 0 FGADHM CC[C@@H]1CC[C@H](C)N(Cc2nc(=O)c3c(C)c(C(=O)OC)sc3[n-]2)C1 ZINC000451957932 501408266 /nfs/dbraw/zinc/40/82/66/501408266.db2.gz WDXNAEYBLZFAOS-CMPLNLGQSA-N -1 3 363.483 3.090 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-][C@@](C)(CO)c2cc(Cl)cc(Cl)c2)o1 ZINC000451992900 501414620 /nfs/dbraw/zinc/41/46/20/501414620.db2.gz IGTIZWQURDMKEV-AWEZNQCLSA-N -1 3 364.250 3.081 20 0 FGADHM CC(C)c1ccc(C(=O)N2C[C@@H](c3ccccc3)[C@](F)(CO)C2)c([O-])c1 ZINC000452503180 501514968 /nfs/dbraw/zinc/51/49/68/501514968.db2.gz PPKAHGPNCGNMDS-GHTZIAJQSA-N -1 3 357.425 3.456 20 0 FGADHM COC[C@@H]1CCCCN1C(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000454350038 501520820 /nfs/dbraw/zinc/52/08/20/501520820.db2.gz MTMWFIIABBCUIQ-INIZCTEOSA-N -1 3 356.426 3.190 20 0 FGADHM CO[C@H]1C[C@@H](N(C)C(=O)Cc2ccc(Br)cc2[O-])C12CCC2 ZINC000456556006 501547330 /nfs/dbraw/zinc/54/73/30/501547330.db2.gz DXSPKYBETZMGIO-CABCVRRESA-N -1 3 368.271 3.113 20 0 FGADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000452744152 501554759 /nfs/dbraw/zinc/55/47/59/501554759.db2.gz BYNNYPJQGRARBP-SNVBAGLBSA-N -1 3 369.259 3.049 20 0 FGADHM CC(C)C(=O)NC[C@H]1CCCN(Cc2cccc([O-])c2Br)C1 ZINC000459328509 501631527 /nfs/dbraw/zinc/63/15/27/501631527.db2.gz QGBDDJWVCBAGBD-CYBMUJFWSA-N -1 3 369.303 3.139 20 0 FGADHM O=c1cc(CN2CC[C@@H](OCCCc3ccccc3)C2)nc(C2CC2)[n-]1 ZINC000459338100 501634413 /nfs/dbraw/zinc/63/44/13/501634413.db2.gz FSWFXZXVYCAQGH-LJQANCHMSA-N -1 3 353.466 3.283 20 0 FGADHM CCCN(Cc1cc(=O)[n-]c(C2CC2)n1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000459355159 501638300 /nfs/dbraw/zinc/63/83/00/501638300.db2.gz HWQRKQCTSPCMPB-AWEZNQCLSA-N -1 3 354.454 3.299 20 0 FGADHM Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NCc1cc(=O)[n-]c(C2CC2)n1 ZINC000459405113 501647837 /nfs/dbraw/zinc/64/78/37/501647837.db2.gz MRXQPDCQGDXXDS-VIFPVBQESA-N -1 3 369.391 3.286 20 0 FGADHM CC(C)NC(=O)[C@H]1CCC[C@H](NCc2cccc([O-])c2Br)C1 ZINC000459405910 501647854 /nfs/dbraw/zinc/64/78/54/501647854.db2.gz FNAXGSCYEIZYIZ-JSGCOSHPSA-N -1 3 369.303 3.328 20 0 FGADHM CC(C)c1ccc(-n2cc([O-])c(C(=O)N(C)[C@@H]3CCN(C(C)C)C3)n2)cc1 ZINC000457086865 501648058 /nfs/dbraw/zinc/64/80/58/501648058.db2.gz JAYCZILCZNGGSC-GOSISDBHSA-N -1 3 370.497 3.256 20 0 FGADHM COc1ccc([C@H](NCc2cc(=O)[n-]c(C3CC3)n2)C(F)(F)F)cc1 ZINC000459408351 501648257 /nfs/dbraw/zinc/64/82/57/501648257.db2.gz LXFNTWUURAYUEA-HNNXBMFYSA-N -1 3 353.344 3.461 20 0 FGADHM O=c1cc(CN(CCc2ccccn2)Cc2cccnc2)nc(C2CC2)[n-]1 ZINC000459441747 501654563 /nfs/dbraw/zinc/65/45/63/501654563.db2.gz LDZUMRSCUIRDCO-UHFFFAOYSA-N -1 3 361.449 3.095 20 0 FGADHM COC(=O)c1cccc2c1CCN(C(=O)CCCc1ccc([O-])c(F)c1)C2 ZINC000457215741 501666669 /nfs/dbraw/zinc/66/66/69/501666669.db2.gz CCNFFUAXAWSJNP-UHFFFAOYSA-N -1 3 371.408 3.226 20 0 FGADHM [O-]c1cccc(CN[C@@]2(CO)CCCc3ccccc32)c1Br ZINC000459527766 501670133 /nfs/dbraw/zinc/67/01/33/501670133.db2.gz KOBYFOQPRAIORF-GOSISDBHSA-N -1 3 362.267 3.468 20 0 FGADHM O=c1cc(CN[C@@H](c2ccccc2)C2(CO)CCCC2)nc(C2CC2)[n-]1 ZINC000459542719 501673416 /nfs/dbraw/zinc/67/34/16/501673416.db2.gz LQXQOAMKLKAOGM-IBGZPJMESA-N -1 3 353.466 3.443 20 0 FGADHM CC[C@@H](CC(F)F)C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000457448997 501700623 /nfs/dbraw/zinc/70/06/23/501700623.db2.gz GEPZIQBPCHASKF-JTQLQIEISA-N -1 3 364.414 3.077 20 0 FGADHM C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1C(=O)N=c1cc(OC(F)F)n(C)[n-]1 ZINC000455197914 501706103 /nfs/dbraw/zinc/70/61/03/501706103.db2.gz BOSIOYRDIAMSTM-YRGRVCCFSA-N -1 3 364.396 3.242 20 0 FGADHM C[C@H](C(=O)Nc1n[n-]c(-c2ccc(Br)cc2F)n1)C1CC1 ZINC000477580691 501729964 /nfs/dbraw/zinc/72/99/64/501729964.db2.gz QKXBQZLJVQWDSS-ZETCQYMHSA-N -1 3 353.195 3.358 20 0 FGADHM C[C@@H](NC(=O)CC(C)(C)C)C(=O)Nc1nnc(-c2cc3ccccc3o2)[n-]1 ZINC000485133977 501732468 /nfs/dbraw/zinc/73/24/68/501732468.db2.gz NYRRZSBJXCPVLD-LLVKDONJSA-N -1 3 369.425 3.097 20 0 FGADHM C[C@@H](NC(=O)CC(C)(C)C)C(=O)Nc1nc(-c2cc3ccccc3o2)n[n-]1 ZINC000485133977 501732473 /nfs/dbraw/zinc/73/24/73/501732473.db2.gz NYRRZSBJXCPVLD-LLVKDONJSA-N -1 3 369.425 3.097 20 0 FGADHM C[C@@H](NC(=O)CC(C)(C)C)C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000485133977 501732478 /nfs/dbraw/zinc/73/24/78/501732478.db2.gz NYRRZSBJXCPVLD-LLVKDONJSA-N -1 3 369.425 3.097 20 0 FGADHM COC[C@H]([N-]S(=O)(=O)c1ccc(CC(C)C)cc1)c1ccc(C)o1 ZINC000474187789 501737127 /nfs/dbraw/zinc/73/71/27/501737127.db2.gz FMIKJERDCZRXLH-KRWDZBQOSA-N -1 3 351.468 3.453 20 0 FGADHM COC(=O)[C@H]1CCC[C@@H](C(=O)Nc2nnc(-c3cc4ccccc4o3)[n-]2)C1 ZINC000485143120 501737829 /nfs/dbraw/zinc/73/78/29/501737829.db2.gz PNFIUWBCRAVVHK-OLZOCXBDSA-N -1 3 368.393 3.136 20 0 FGADHM COC(=O)[C@H]1CCC[C@@H](C(=O)Nc2nc(-c3cc4ccccc4o3)n[n-]2)C1 ZINC000485143120 501737835 /nfs/dbraw/zinc/73/78/35/501737835.db2.gz PNFIUWBCRAVVHK-OLZOCXBDSA-N -1 3 368.393 3.136 20 0 FGADHM COC(=O)[C@H]1CCC[C@@H](C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)C1 ZINC000485143120 501737839 /nfs/dbraw/zinc/73/78/39/501737839.db2.gz PNFIUWBCRAVVHK-OLZOCXBDSA-N -1 3 368.393 3.136 20 0 FGADHM CC[C@@](C)([N-]S(=O)(=O)c1oc2ccc(Cl)cc2c1C)C(=O)OC ZINC000470609312 501741683 /nfs/dbraw/zinc/74/16/83/501741683.db2.gz HSQNELYWSMUNDM-OAHLLOKOSA-N -1 3 359.831 3.015 20 0 FGADHM COC(=O)CCC(C)(C)[N-]S(=O)(=O)c1oc2ccc(Cl)cc2c1C ZINC000470607980 501742121 /nfs/dbraw/zinc/74/21/21/501742121.db2.gz VWRWXFWBFLGCJK-UHFFFAOYSA-N -1 3 373.858 3.405 20 0 FGADHM CC(C)(C)[C@@H]1CCC[C@@H](NC(=O)c2cncc([N-]S(C)(=O)=O)c2)CC1 ZINC000474271003 501768819 /nfs/dbraw/zinc/76/88/19/501768819.db2.gz QJODUZUOYCZLBJ-HUUCEWRRSA-N -1 3 367.515 3.178 20 0 FGADHM COc1ccc(C(=O)Nc2n[n-]c(-c3ccc(OC)cc3OC)n2)c(C)c1 ZINC000607815198 506272509 /nfs/dbraw/zinc/27/25/09/506272509.db2.gz NILOCECDONMMOJ-UHFFFAOYSA-N -1 3 368.393 3.058 20 0 FGADHM Cc1ccc([C@@H]2OCCC[C@H]2C(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000463615558 501775508 /nfs/dbraw/zinc/77/55/08/501775508.db2.gz XCWYGMSNKCXLBU-MSOLQXFVSA-N -1 3 363.421 3.282 20 0 FGADHM Cc1ccc([C@@H]2OCCC[C@H]2C(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000463615558 501775513 /nfs/dbraw/zinc/77/55/13/501775513.db2.gz XCWYGMSNKCXLBU-MSOLQXFVSA-N -1 3 363.421 3.282 20 0 FGADHM CCCOc1ncccc1C[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000463664119 501787334 /nfs/dbraw/zinc/78/73/34/501787334.db2.gz IYNWOPAZPKQPSX-UHFFFAOYSA-N -1 3 358.822 3.141 20 0 FGADHM CCc1c(C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)cnn1C(CC)CC ZINC000477833125 501802630 /nfs/dbraw/zinc/80/26/30/501802630.db2.gz WRYOUUHQKSGWJF-UHFFFAOYSA-N -1 3 367.457 3.163 20 0 FGADHM CCc1c(C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)cnn1C(CC)CC ZINC000477833125 501802634 /nfs/dbraw/zinc/80/26/34/501802634.db2.gz WRYOUUHQKSGWJF-UHFFFAOYSA-N -1 3 367.457 3.163 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)c3cccc(-n4cccc4)c3)[n-]c21 ZINC000477841966 501805321 /nfs/dbraw/zinc/80/53/21/501805321.db2.gz ABXHGZIGLFELFW-UHFFFAOYSA-N -1 3 360.373 3.393 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cccc(-n4cccc4)c3)nc21 ZINC000477841966 501805323 /nfs/dbraw/zinc/80/53/23/501805323.db2.gz ABXHGZIGLFELFW-UHFFFAOYSA-N -1 3 360.373 3.393 20 0 FGADHM COc1cc(F)c([N-]S(=O)(=O)c2c(C)cc(F)cc2C)cc1OC ZINC000485395088 501808630 /nfs/dbraw/zinc/80/86/30/501808630.db2.gz LFUGNVKQXCWHEO-UHFFFAOYSA-N -1 3 357.378 3.400 20 0 FGADHM CCOC[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(OC)cc1Cl)C(C)C ZINC000474379893 501814361 /nfs/dbraw/zinc/81/43/61/501814361.db2.gz YJJRKDCSYZZXHA-GFCCVEGCSA-N -1 3 370.298 3.341 20 0 FGADHM CCOC(=O)[C@H](Cc1cccc(Cl)c1)NCc1cc([O-])cc(F)c1 ZINC000467515929 501814552 /nfs/dbraw/zinc/81/45/52/501814552.db2.gz CDEDCSOIABIZJB-KRWDZBQOSA-N -1 3 351.805 3.449 20 0 FGADHM Cc1noc(C)c1S(=O)(=O)[N-]C1CC(F)(c2cccc(Cl)c2)C1 ZINC000481566221 501817036 /nfs/dbraw/zinc/81/70/36/501817036.db2.gz RJAJPAZXVCGWMQ-UHFFFAOYSA-N -1 3 358.822 3.251 20 0 FGADHM COc1c2ccccc2oc1C[N-]S(=O)(=O)c1ccc2c(c1)C[C@H](C)O2 ZINC000474388853 501817787 /nfs/dbraw/zinc/81/77/87/501817787.db2.gz CKVXBNIQAXIUQN-LBPRGKRZSA-N -1 3 373.430 3.243 20 0 FGADHM CC(C)OCCC[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000485434703 501819597 /nfs/dbraw/zinc/81/95/97/501819597.db2.gz IAESJHKPORXGBD-UHFFFAOYSA-N -1 3 370.696 3.196 20 0 FGADHM COCc1nc(SCc2nc(-c3cccc(C(F)(F)F)c3)no2)n[n-]1 ZINC000474399261 501822222 /nfs/dbraw/zinc/82/22/22/501822222.db2.gz IZEXWINNQJUAIW-UHFFFAOYSA-N -1 3 371.344 3.312 20 0 FGADHM Cc1ccc([C@H]2C[C@@H](C)N(C(=O)Nc3ccc4c(c3)C(=O)[N-]C4=O)C2)cc1 ZINC000485525121 501846710 /nfs/dbraw/zinc/84/67/10/501846710.db2.gz UEMSVNBCEZYLLV-HIFRSBDPSA-N -1 3 363.417 3.289 20 0 FGADHM CCOc1ccc(CC(=O)N=c2cc(-c3cc(F)cc(F)c3)[n-][nH]2)cc1 ZINC000467709839 501849474 /nfs/dbraw/zinc/84/94/74/501849474.db2.gz AOHVNMCSPJRZBX-UHFFFAOYSA-N -1 3 357.360 3.357 20 0 FGADHM COc1ccc(CC(=O)N=c2cc(-c3cc(F)cc(F)c3)[n-][nH]2)cc1F ZINC000467719623 501854550 /nfs/dbraw/zinc/85/45/50/501854550.db2.gz CYWFSRZDGGIKLV-UHFFFAOYSA-N -1 3 361.323 3.106 20 0 FGADHM CCc1cc(C(=O)N[C@H](C)c2ccc(OCCOC)c(OC)c2)ccc1[O-] ZINC000485598216 501873058 /nfs/dbraw/zinc/87/30/58/501873058.db2.gz JRMODKRWCQRBQY-CQSZACIVSA-N -1 3 373.449 3.479 20 0 FGADHM Cn1[n-]c(CN2CCCCC[C@@H]2c2ccc(C(F)(F)F)cc2)nc1=O ZINC000471006606 501890257 /nfs/dbraw/zinc/89/02/57/501890257.db2.gz KNNHZRCNTJPHDB-CQSZACIVSA-N -1 3 354.376 3.245 20 0 FGADHM Cc1cc(C(=O)N[C@H](CO)c2ccccc2OC(F)(F)F)ccc1[O-] ZINC000478159188 501896807 /nfs/dbraw/zinc/89/68/07/501896807.db2.gz WQZKGVBPSZFNBO-CYBMUJFWSA-N -1 3 355.312 3.063 20 0 FGADHM CCc1noc(-c2ccc(C)c(NC(=O)NCc3ncccc3[O-])c2)n1 ZINC000467940579 501910533 /nfs/dbraw/zinc/91/05/33/501910533.db2.gz ANVCMBZSSBKJRO-UHFFFAOYSA-N -1 3 353.382 3.030 20 0 FGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccncc2Br)c1 ZINC000481904094 501914073 /nfs/dbraw/zinc/91/40/73/501914073.db2.gz YNSFZYXZZJKTLW-UHFFFAOYSA-N -1 3 361.648 3.029 20 0 FGADHM CSc1ccc(Cl)c(C(=O)NCc2nnc(C(F)(F)F)[n-]2)c1 ZINC000481928911 501921597 /nfs/dbraw/zinc/92/15/97/501921597.db2.gz BFNUZQPFSUXZKP-UHFFFAOYSA-N -1 3 350.753 3.129 20 0 FGADHM CSc1ccc(Cl)c(C(=O)NCc2n[n-]c(C(F)(F)F)n2)c1 ZINC000481928911 501921604 /nfs/dbraw/zinc/92/16/04/501921604.db2.gz BFNUZQPFSUXZKP-UHFFFAOYSA-N -1 3 350.753 3.129 20 0 FGADHM CSc1ccc(Cl)c(C(=O)NCc2nc(C(F)(F)F)n[n-]2)c1 ZINC000481928911 501921607 /nfs/dbraw/zinc/92/16/07/501921607.db2.gz BFNUZQPFSUXZKP-UHFFFAOYSA-N -1 3 350.753 3.129 20 0 FGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(Cc2ccncc2)cc1 ZINC000474775598 501948575 /nfs/dbraw/zinc/94/85/75/501948575.db2.gz QRLCXLPMVVCGGJ-UHFFFAOYSA-N -1 3 366.446 3.451 20 0 FGADHM CNC(=O)c1ccc([N-]C(=O)c2cc(-c3cccc(Cl)c3)no2)nc1 ZINC000485825350 501952186 /nfs/dbraw/zinc/95/21/86/501952186.db2.gz UGZZNLSSYIJYHH-UHFFFAOYSA-N -1 3 356.769 3.002 20 0 FGADHM CCc1ncc(S(=O)(=O)[N-][C@@H](C)c2ncc(-c3ccccc3)o2)s1 ZINC000460936090 501963254 /nfs/dbraw/zinc/96/32/54/501963254.db2.gz LAVNWMJMSRQEJM-NSHDSACASA-N -1 3 363.464 3.400 20 0 FGADHM CCc1ncc(S(=O)(=O)[N-][C@@H]2CCOc3c(Cl)cccc32)s1 ZINC000460946342 501966532 /nfs/dbraw/zinc/96/65/32/501966532.db2.gz YCEZPIAOAOOVCN-LLVKDONJSA-N -1 3 358.872 3.161 20 0 FGADHM Cc1cccc2c(CC[N-]S(=O)(=O)c3cc(F)c(F)c(F)c3)c[nH]c21 ZINC000485879708 501972676 /nfs/dbraw/zinc/97/26/76/501972676.db2.gz GWYTXRJGKQBCJL-UHFFFAOYSA-N -1 3 368.380 3.415 20 0 FGADHM COc1ccccc1[C@@H]([N-]S(=O)(=O)Cc1cc(C)no1)c1ccccc1 ZINC000485890606 501978270 /nfs/dbraw/zinc/97/82/70/501978270.db2.gz CKTPTWFZMYQLGI-IBGZPJMESA-N -1 3 372.446 3.201 20 0 FGADHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2cccc(CC(F)(F)F)c2)cc1 ZINC000464405480 501980632 /nfs/dbraw/zinc/98/06/32/501980632.db2.gz LNYWGMBSEWKMOI-UHFFFAOYSA-N -1 3 372.368 3.415 20 0 FGADHM Cc1cc(C)cc(-c2cc(=NC(=O)C(C)(C)COCC(F)F)[nH][n-]2)c1 ZINC000471323689 501989690 /nfs/dbraw/zinc/98/96/90/501989690.db2.gz QSSSIWMSOXJWDI-UHFFFAOYSA-N -1 3 351.397 3.362 20 0 FGADHM C[C@]1(c2cccc(NC(=O)c3cccc4ccsc43)c2)NC(=O)[N-]C1=O ZINC000464437536 501990026 /nfs/dbraw/zinc/99/00/26/501990026.db2.gz IFTKTTGMDLJDFI-LJQANCHMSA-N -1 3 365.414 3.208 20 0 FGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)[C@@H]2Cc3ccccc3S2)c1 ZINC000461023401 501992501 /nfs/dbraw/zinc/99/25/01/501992501.db2.gz MWSCOUDJBUAXFQ-INIZCTEOSA-N -1 3 362.476 3.022 20 0 FGADHM C[C@@H](CS(=O)(=O)[N-]Cc1cc(COC(C)(C)C)on1)c1ccccc1 ZINC000485936500 501993433 /nfs/dbraw/zinc/99/34/33/501993433.db2.gz AVJKWOIJVYWKKM-AWEZNQCLSA-N -1 3 366.483 3.213 20 0 FGADHM CS(=O)(=O)[N-]c1cc(NC(=O)Cc2ccc(Cl)c(F)c2)ccc1F ZINC000468226117 501996540 /nfs/dbraw/zinc/99/65/40/501996540.db2.gz ZCUZBUOMMVBGDJ-UHFFFAOYSA-N -1 3 374.796 3.171 20 0 FGADHM C[C@H]1CCN(C(=O)N=c2cc3ccc(Br)cn3[n-]2)C[C@@H](C)C1 ZINC000482180817 502000142 /nfs/dbraw/zinc/00/01/42/502000142.db2.gz CWSMNSPKAMSEQR-RYUDHWBXSA-N -1 3 365.275 3.419 20 0 FGADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)c1cc(-c2cccc(Cl)c2)on1 ZINC000482234160 502014673 /nfs/dbraw/zinc/01/46/73/502014673.db2.gz KKJYLSGMMONSTN-UHFFFAOYSA-N -1 3 371.706 3.062 20 0 FGADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)c1cc(-c2cccc(Cl)c2)on1 ZINC000482234160 502014677 /nfs/dbraw/zinc/01/46/77/502014677.db2.gz KKJYLSGMMONSTN-UHFFFAOYSA-N -1 3 371.706 3.062 20 0 FGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1cc(-c2cccc(Cl)c2)on1 ZINC000482234160 502014686 /nfs/dbraw/zinc/01/46/86/502014686.db2.gz KKJYLSGMMONSTN-UHFFFAOYSA-N -1 3 371.706 3.062 20 0 FGADHM CC[C@H](C(=O)[O-])N1CCN([C@H](CC)c2ccc(Br)cc2)CC1 ZINC000478550944 502015927 /nfs/dbraw/zinc/01/59/27/502015927.db2.gz QFGIRUNAJGBVAS-HZPDHXFCSA-N -1 3 369.303 3.381 20 0 FGADHM C[C@H](NC(=O)CNC(=O)c1cccc([O-])c1)c1ccc(C(F)(F)F)cc1 ZINC000471408525 502016863 /nfs/dbraw/zinc/01/68/63/502016863.db2.gz CYKUTMCIBJSNAK-NSHDSACASA-N -1 3 366.339 3.018 20 0 FGADHM CCc1cc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccccc2C)ccc1[O-] ZINC000486069029 502036941 /nfs/dbraw/zinc/03/69/41/502036941.db2.gz NAGWBOWPNPXTMA-QGZVFWFLSA-N -1 3 370.474 3.417 20 0 FGADHM CCc1nc(C(=O)[N-]c2cc(F)c(OC)cc2F)nn1-c1ccccc1 ZINC000468372962 502039957 /nfs/dbraw/zinc/03/99/57/502039957.db2.gz OGDJJRDJECYJEN-UHFFFAOYSA-N -1 3 358.348 3.369 20 0 FGADHM CCC1(CC)CCC(NC(=O)CC[N-]S(=O)(=O)c2cccs2)CC1 ZINC000475071393 502044313 /nfs/dbraw/zinc/04/43/13/502044313.db2.gz RLDQZYFHOHXTML-UHFFFAOYSA-N -1 3 372.556 3.282 20 0 FGADHM Cc1ccccc1CCC(=O)N=c1nc(-c2ccccc2Cl)[n-]n1C ZINC000461232476 502047249 /nfs/dbraw/zinc/04/72/49/502047249.db2.gz CNBMCDDKDUDULX-UHFFFAOYSA-N -1 3 354.841 3.437 20 0 FGADHM C[C@H]1CCCC[C@H]1OCC(=O)N=c1nc(-c2ccccc2Cl)[n-]n1C ZINC000461243818 502050460 /nfs/dbraw/zinc/05/04/60/502050460.db2.gz RWZALSCLJDKXJY-SWLSCSKDSA-N -1 3 362.861 3.091 20 0 FGADHM Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)cc1NC(=O)N(C)C ZINC000478680953 502055497 /nfs/dbraw/zinc/05/54/97/502055497.db2.gz WEQJWODCMCFOTI-UHFFFAOYSA-N -1 3 365.430 3.337 20 0 FGADHM CS(=O)(=O)[N-]c1cc(C(=O)Nc2ccccc2)cc(C(F)(F)F)c1 ZINC000471555015 502064161 /nfs/dbraw/zinc/06/41/61/502064161.db2.gz LBHIVFXHVGBYMP-UHFFFAOYSA-N -1 3 358.341 3.329 20 0 FGADHM COC(=O)[C@@H](C[C@@H]1CCCc2ccccc21)NCc1nc(C)ccc1[O-] ZINC000475140229 502076801 /nfs/dbraw/zinc/07/68/01/502076801.db2.gz PXLTYJGXZMOUCJ-FUHWJXTLSA-N -1 3 354.450 3.237 20 0 FGADHM COc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCCO[C@H]2CC(C)C)c1 ZINC000478764165 502079406 /nfs/dbraw/zinc/07/94/06/502079406.db2.gz WRFZXPFGRFWYSR-GJZGRUSLSA-N -1 3 361.891 3.221 20 0 FGADHM CCc1cc(C(=O)N2CSC[C@H]2C(=O)Nc2cccc(F)c2)ccc1[O-] ZINC000486196731 502079953 /nfs/dbraw/zinc/07/99/53/502079953.db2.gz SHQUKVAWJRRFQI-INIZCTEOSA-N -1 3 374.437 3.248 20 0 FGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCc2ccccc2C1 ZINC000486246432 502097182 /nfs/dbraw/zinc/09/71/82/502097182.db2.gz VYRMJAUCKULMFP-OAHLLOKOSA-N -1 3 351.855 3.184 20 0 FGADHM CN(C)c1cccc(S(=O)(=O)[N-][C@H](CC(C)(C)C)C(F)(F)F)c1 ZINC000471651228 502098713 /nfs/dbraw/zinc/09/87/13/502098713.db2.gz BBKWFTQUNVFKEI-CYBMUJFWSA-N -1 3 352.422 3.398 20 0 FGADHM CN(C)c1cccc(S(=O)(=O)[N-][C@H](C2CCCC2)C(F)(F)F)c1 ZINC000471653978 502099734 /nfs/dbraw/zinc/09/97/34/502099734.db2.gz BZOSGYKINREOFR-CQSZACIVSA-N -1 3 350.406 3.152 20 0 FGADHM COc1ccc(C)cc1CC[N-]S(=O)(=O)c1cc(Cl)ccc1OC ZINC000486256173 502102157 /nfs/dbraw/zinc/10/21/57/502102157.db2.gz WUJLJMIFNQVSDF-UHFFFAOYSA-N -1 3 369.870 3.187 20 0 FGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]CCc1c(F)cccc1F ZINC000486265707 502105036 /nfs/dbraw/zinc/10/50/36/502105036.db2.gz ILFSNDFZDCKOHG-UHFFFAOYSA-N -1 3 361.797 3.148 20 0 FGADHM CCOC(=O)c1nnsc1[N-]C(=O)c1ccc(Oc2ccccc2)o1 ZINC000482555706 502110059 /nfs/dbraw/zinc/11/00/59/502110059.db2.gz MQENBAZZJXDBRS-UHFFFAOYSA-N -1 3 359.363 3.352 20 0 FGADHM C[C@H](COc1ccc(C(C)(C)C)cc1)NC(=O)NCc1ncccc1[O-] ZINC000471712762 502116231 /nfs/dbraw/zinc/11/62/31/502116231.db2.gz DHFYGOYNMLOBRS-CQSZACIVSA-N -1 3 357.454 3.351 20 0 FGADHM COc1ccc(C2(CNC(=O)NCc3ncccc3[O-])CCCCC2)cc1 ZINC000471737245 502123902 /nfs/dbraw/zinc/12/39/02/502123902.db2.gz OAQHPXUEYLBVRG-UHFFFAOYSA-N -1 3 369.465 3.497 20 0 FGADHM C[C@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1ccc2c(c1)CC(=O)N2 ZINC000468619412 502127096 /nfs/dbraw/zinc/12/70/96/502127096.db2.gz HDMMCTHVWPKXCR-LBPRGKRZSA-N -1 3 356.397 3.226 20 0 FGADHM CCC[C@@H](C)[C@@H]1CCCN1C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C)c1 ZINC000486344452 502128326 /nfs/dbraw/zinc/12/83/26/502128326.db2.gz LAQVSJODZRWIHI-DOMZBBRYSA-N -1 3 371.478 3.166 20 0 FGADHM COC(=O)C1([N-]S(=O)(=O)c2oc3ccc(F)cc3c2C)CCCCC1 ZINC000471777874 502134078 /nfs/dbraw/zinc/13/40/78/502134078.db2.gz BTSKSKRORRSXLQ-UHFFFAOYSA-N -1 3 369.414 3.035 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2Cc3ccccc3O2)c(Cl)cc1F ZINC000471783000 502135333 /nfs/dbraw/zinc/13/53/33/502135333.db2.gz VCMNJVVECBUPGK-LBPRGKRZSA-N -1 3 355.818 3.070 20 0 FGADHM CC[C@@H](NC(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C)c1)c1cccs1 ZINC000486419750 502148921 /nfs/dbraw/zinc/14/89/21/502148921.db2.gz OGMNLAQSHRQOLZ-GFCCVEGCSA-N -1 3 371.459 3.068 20 0 FGADHM Cn1c2cc([O-])c(NC(=O)C[C@@H]3CCCc4ccccc43)cc2n(C)c1=O ZINC000461604605 502151643 /nfs/dbraw/zinc/15/16/43/502151643.db2.gz BFRXOGKVDHMKMT-AWEZNQCLSA-N -1 3 365.433 3.031 20 0 FGADHM CCc1ccc([O-])c(C(=O)N(Cc2ccccc2)C[C@@]2(O)CCO[C@H]2C)c1 ZINC000468714502 502156663 /nfs/dbraw/zinc/15/66/63/502156663.db2.gz LHDOCIJROLHKSW-AOMKIAJQSA-N -1 3 369.461 3.137 20 0 FGADHM Cn1c2cc([O-])c(NC(=O)C(C)(C)c3ccc(Cl)cc3)cc2n(C)c1=O ZINC000461634662 502158816 /nfs/dbraw/zinc/15/88/16/502158816.db2.gz WDNSNLOQMGUSEI-UHFFFAOYSA-N -1 3 373.840 3.152 20 0 FGADHM CC1CCC(Oc2cc(CNC(=O)NCc3ncccc3[O-])ccn2)CC1 ZINC000471891974 502164708 /nfs/dbraw/zinc/16/47/08/502164708.db2.gz DVGYFSOALQTWCK-UHFFFAOYSA-N -1 3 370.453 3.139 20 0 FGADHM CC[C@H](C)[C@H]([N-]S(C)(=O)=O)C(=O)Nc1ccc(C(C)(C)CC)cc1 ZINC000468744286 502168629 /nfs/dbraw/zinc/16/86/29/502168629.db2.gz PXYZDBZCLKVDQR-BBRMVZONSA-N -1 3 354.516 3.277 20 0 FGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]c2cc3cn[nH]c3cc2C)c1 ZINC000479132452 502171667 /nfs/dbraw/zinc/17/16/67/502171667.db2.gz QUNZEFYVBFGKKL-UHFFFAOYSA-N -1 3 351.815 3.334 20 0 FGADHM O=c1[n-]c(CSc2nc3cncnc3[nH]2)nc2c3ccccc3oc21 ZINC000479184226 502186187 /nfs/dbraw/zinc/18/61/87/502186187.db2.gz JQAAFKGQTSSJMF-UHFFFAOYSA-N -1 3 350.363 3.040 20 0 FGADHM COC(=O)[C@@H](Sc1nc2cncnc2[n-]1)c1c(F)cccc1Cl ZINC000479187393 502187697 /nfs/dbraw/zinc/18/76/97/502187697.db2.gz 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Cc1ccc(-c2nnc(NC(=O)c3nn(-c4ccc(F)cc4)cc3C)[n-]2)o1 ZINC000548963832 504637723 /nfs/dbraw/zinc/63/77/23/504637723.db2.gz UANUJCRERLPLTI-UHFFFAOYSA-N -1 3 366.356 3.259 20 0 FGADHM Cc1ccc(-c2n[n-]c(NC(=O)c3nn(-c4ccc(F)cc4)cc3C)n2)o1 ZINC000548963832 504637726 /nfs/dbraw/zinc/63/77/26/504637726.db2.gz UANUJCRERLPLTI-UHFFFAOYSA-N -1 3 366.356 3.259 20 0 FGADHM Cc1ccc(-c2nc(NC(=O)c3nn(-c4ccc(F)cc4)cc3C)n[n-]2)o1 ZINC000548963832 504637730 /nfs/dbraw/zinc/63/77/30/504637730.db2.gz UANUJCRERLPLTI-UHFFFAOYSA-N -1 3 366.356 3.259 20 0 FGADHM Cc1ccc2c(c1)[C@H]([N-]S(=O)(=O)c1cccc(Br)c1)CO2 ZINC000532420371 504643962 /nfs/dbraw/zinc/64/39/62/504643962.db2.gz FDEZFELAUVQONR-CQSZACIVSA-N -1 3 368.252 3.170 20 0 FGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCC[C@@]2(C)CO)c1Cl ZINC000536154215 504650874 /nfs/dbraw/zinc/65/08/74/504650874.db2.gz FFCDPSVZJQYDON-FZMZJTMJSA-N -1 3 352.283 3.131 20 0 FGADHM CC(C)[C@@H](NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)c1ccc(Cl)cc1F ZINC000542904761 504651761 /nfs/dbraw/zinc/65/17/61/504651761.db2.gz JLKOFWUDESOBRU-MRXNPFEDSA-N -1 3 374.799 3.490 20 0 FGADHM CCOC(=O)c1ccc(NC(=O)CCc2ccc(OC)c(F)c2)c([O-])c1 ZINC000536194731 504662514 /nfs/dbraw/zinc/66/25/14/504662514.db2.gz XAVSCKGINOEHHZ-UHFFFAOYSA-N -1 3 361.369 3.288 20 0 FGADHM O=C(c1cc([O-])cc(Br)c1)N1CCC[C@H]1[C@H]1CCCOC1 ZINC000529502101 504700783 /nfs/dbraw/zinc/70/07/83/504700783.db2.gz BXFTURURPBUDBH-NHYWBVRUSA-N -1 3 354.244 3.186 20 0 FGADHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1CC[C@@H](C)C(C)(C)C1 ZINC000546087671 504704119 /nfs/dbraw/zinc/70/41/19/504704119.db2.gz CMNUCJVMWVYWSF-GFCCVEGCSA-N -1 3 366.483 3.066 20 0 FGADHM COCCOc1ccc(-c2noc(CCCc3ccc([O-])c(F)c3)n2)cn1 ZINC000521313802 504707416 /nfs/dbraw/zinc/70/74/16/504707416.db2.gz BCYLUHZDQYYEHN-UHFFFAOYSA-N -1 3 373.384 3.177 20 0 FGADHM O=C(NCCOc1cccc2ccccc21)c1c[n-]nc1-c1ccccn1 ZINC000521319842 504708401 /nfs/dbraw/zinc/70/84/01/504708401.db2.gz PVICEACCGLSFNL-UHFFFAOYSA-N -1 3 358.401 3.434 20 0 FGADHM Cc1ccc2c(CN3CCO[C@H](c4nnc(C(C)C)o4)C3)ccc([O-])c2n1 ZINC000549174228 504712837 /nfs/dbraw/zinc/71/28/37/504712837.db2.gz SWPZFGPNERXLED-KRWDZBQOSA-N -1 3 368.437 3.329 20 0 FGADHM C[C@H](CCc1cccc(F)c1)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000543076945 504714567 /nfs/dbraw/zinc/71/45/67/504714567.db2.gz KDNYWXOTOUGENK-MRXNPFEDSA-N -1 3 356.441 3.310 20 0 FGADHM COC[C@](C)(O)C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000539872237 504723907 /nfs/dbraw/zinc/72/39/07/504723907.db2.gz BOBJYJAYYTWDNJ-SFHVURJKSA-N -1 3 358.419 3.005 20 0 FGADHM Cc1nc(C)c(CCC(=O)N2[C@H](C)Cc3cc(F)ccc3[C@@H]2C)c(=O)[n-]1 ZINC000539894286 504732926 /nfs/dbraw/zinc/73/29/26/504732926.db2.gz GPRHDXLQGADUNM-YPMHNXCESA-N -1 3 357.429 3.405 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N3CC[C@H](c4cccnc4)C3)c[n-]c12 ZINC000521441377 504738742 /nfs/dbraw/zinc/73/87/42/504738742.db2.gz NQUNWVVNFHRKIT-AWEZNQCLSA-N -1 3 351.381 3.000 20 0 FGADHM CSc1cccc(N2C[C@H](C(=O)Nc3cccc([O-])c3F)CC2=O)c1 ZINC000536464627 504741724 /nfs/dbraw/zinc/74/17/24/504741724.db2.gz UCXKCNACNFCPPI-LLVKDONJSA-N -1 3 360.410 3.245 20 0 FGADHM C[C@H](C1CC1)N(Cc1ccccc1)C(=O)CN1CCC[C@@H](CC(=O)[O-])C1 ZINC000532711731 504742637 /nfs/dbraw/zinc/74/26/37/504742637.db2.gz HJDNFVUAHNRMQA-AEFFLSMTSA-N -1 3 358.482 3.000 20 0 FGADHM O=C(c1ccc(O)cc1[O-])N1CCC(Cc2nc(C3CCCC3)no2)CC1 ZINC000529634658 504748594 /nfs/dbraw/zinc/74/85/94/504748594.db2.gz DTPFDAKZXDANNM-UHFFFAOYSA-N -1 3 371.437 3.233 20 0 FGADHM COCCn1ccc2ccc(NC(=O)c3c[n-]nc3-c3ccncc3)cc21 ZINC000540020444 504760834 /nfs/dbraw/zinc/76/08/34/504760834.db2.gz KVHCEFAJXMKXPP-UHFFFAOYSA-N -1 3 361.405 3.325 20 0 FGADHM COCCn1ccc2ccc(NC(=O)c3cn[n-]c3-c3ccncc3)cc21 ZINC000540020444 504760836 /nfs/dbraw/zinc/76/08/36/504760836.db2.gz KVHCEFAJXMKXPP-UHFFFAOYSA-N -1 3 361.405 3.325 20 0 FGADHM CCOc1cc([N-]S(=O)(=O)c2ccc3c(c2)CCCO3)ccc1OC ZINC000540037896 504763810 /nfs/dbraw/zinc/76/38/10/504763810.db2.gz IHNRLPMRFPLUAC-UHFFFAOYSA-N -1 3 363.435 3.220 20 0 FGADHM C[C@H](C[N-]S(=O)(=O)c1cncc(Cl)c1)Oc1cccc(Cl)c1 ZINC000532855623 504768128 /nfs/dbraw/zinc/76/81/28/504768128.db2.gz UTGUBEHWHCHDOU-SNVBAGLBSA-N -1 3 361.250 3.134 20 0 FGADHM CCOC(=O)c1ccc(NC(=O)c2cnc(-c3cccnc3)s2)c([O-])c1 ZINC000536619120 504770765 /nfs/dbraw/zinc/77/07/65/504770765.db2.gz ZYWNXWJUMBOKGO-UHFFFAOYSA-N -1 3 369.402 3.340 20 0 FGADHM Cc1ccc2[n-]cc(C(=O)N3CCC[C@@H](OCC(F)(F)F)C3)c(=O)c2c1 ZINC000552845339 504774453 /nfs/dbraw/zinc/77/44/53/504774453.db2.gz YNKHMQKITIJPQP-GFCCVEGCSA-N -1 3 368.355 3.020 20 0 FGADHM CCc1noc(C)c1C[N-]S(=O)(=O)c1ccc(SC)c(Cl)c1 ZINC000559105604 504783529 /nfs/dbraw/zinc/78/35/29/504783529.db2.gz JHENBIKWGFCRAK-UHFFFAOYSA-N -1 3 360.888 3.399 20 0 FGADHM CCOC(=O)c1[n-]c(C)nc1NC(=O)[C@@H](C)c1ccc(C(=O)C(C)C)cc1 ZINC000549300487 504786642 /nfs/dbraw/zinc/78/66/42/504786642.db2.gz KHWGKCYDUBRKFE-LBPRGKRZSA-N -1 3 371.437 3.476 20 0 FGADHM CCOC(=O)c1nc(C)[n-]c1NC(=O)[C@@H](C)c1ccc(C(=O)C(C)C)cc1 ZINC000549300487 504786644 /nfs/dbraw/zinc/78/66/44/504786644.db2.gz KHWGKCYDUBRKFE-LBPRGKRZSA-N -1 3 371.437 3.476 20 0 FGADHM COC(=O)c1sccc1S(=O)(=O)[N-]C(C)(C)c1ccccc1C ZINC000559139407 504789477 /nfs/dbraw/zinc/78/94/77/504789477.db2.gz VXRDHUDOYKLWGL-UHFFFAOYSA-N -1 3 353.465 3.057 20 0 FGADHM COC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)c2ccccc2C)cc1F ZINC000559139819 504789592 /nfs/dbraw/zinc/78/95/92/504789592.db2.gz DRKOXJSDCNRLPQ-UHFFFAOYSA-N -1 3 365.426 3.134 20 0 FGADHM CO[C@H](CN1CCC(n2cc(C(=O)[O-])cn2)CC1)c1ccc(Cl)cc1 ZINC000565110525 504797004 /nfs/dbraw/zinc/79/70/04/504797004.db2.gz RKAPIHTXLHGKPK-QGZVFWFLSA-N -1 3 363.845 3.259 20 0 FGADHM Cc1ccc(NC(=O)CNC(=O)c2ccc([O-])cc2)cc1C(F)(F)F ZINC000556114436 504799492 /nfs/dbraw/zinc/79/94/92/504799492.db2.gz DJZYOZGTCIYYCJ-UHFFFAOYSA-N -1 3 352.312 3.088 20 0 FGADHM CCOC(=O)c1[n-]c(C)nc1NC(=O)c1cccc(Br)c1F ZINC000562377920 504800152 /nfs/dbraw/zinc/80/01/52/504800152.db2.gz NDPKRUKTFKHDDO-UHFFFAOYSA-N -1 3 370.178 3.049 20 0 FGADHM CCOC(=O)c1nc(C)[n-]c1NC(=O)c1cccc(Br)c1F ZINC000562377920 504800157 /nfs/dbraw/zinc/80/01/57/504800157.db2.gz NDPKRUKTFKHDDO-UHFFFAOYSA-N -1 3 370.178 3.049 20 0 FGADHM O=C(N=c1cc2ccccn2[n-]1)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F ZINC000552993148 504800702 /nfs/dbraw/zinc/80/07/02/504800702.db2.gz OITPLVWVHIWNNW-UONOGXRCSA-N -1 3 361.323 3.397 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]c2cc(C[S@](C)=O)ccc2Cl)c(C)o1 ZINC000556177466 504811330 /nfs/dbraw/zinc/81/13/30/504811330.db2.gz YIGFVVTYDOSPCN-NRFANRHFSA-N -1 3 361.872 3.229 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)NCC[C@@H]3C[C@@H](C)O[C@@H](C)C3)c[n-]c12 ZINC000549430205 504820063 /nfs/dbraw/zinc/82/00/63/504820063.db2.gz DZKTVMWVLFTIQE-BTTYYORXSA-N -1 3 360.429 3.299 20 0 FGADHM O=C(N[C@H]1CCCOc2cc(Cl)ccc21)c1cc(=O)[n-]c(C2CC2)n1 ZINC000565193014 504821762 /nfs/dbraw/zinc/82/17/62/504821762.db2.gz SMCBPCSOFNZUHD-ZDUSSCGKSA-N -1 3 359.813 3.357 20 0 FGADHM CCn1c2ccccc2nc1[C@@H]1CCCN1C(=O)Cc1cncc([O-])c1 ZINC000553085008 504823807 /nfs/dbraw/zinc/82/38/07/504823807.db2.gz JNEQRSBDVMVAID-SFHVURJKSA-N -1 3 350.422 3.063 20 0 FGADHM CCOc1cc(CN2CCN(c3ccccc3O)CC2)cc(Cl)c1[O-] ZINC000556270416 504832581 /nfs/dbraw/zinc/83/25/81/504832581.db2.gz GMOUPZVBPYFPCE-UHFFFAOYSA-N -1 3 362.857 3.472 20 0 FGADHM O=S(=O)([N-][C@@H](c1nccs1)C(F)(F)F)c1ccc2ncccc2c1 ZINC000549522480 504840497 /nfs/dbraw/zinc/84/04/97/504840497.db2.gz PJZDHBAJYMPXSJ-LBPRGKRZSA-N -1 3 373.381 3.273 20 0 FGADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000559351106 504843928 /nfs/dbraw/zinc/84/39/28/504843928.db2.gz YDBOBYFSHOXNKE-OAHLLOKOSA-N -1 3 372.428 3.183 20 0 FGADHM COC[C@]1(C(=O)[O-])CCCN(Cc2ccc(Br)cc2C)C1 ZINC000565366790 504866827 /nfs/dbraw/zinc/86/68/27/504866827.db2.gz IQUVEFFZSMKYHN-INIZCTEOSA-N -1 3 356.260 3.071 20 0 FGADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)c2cn(C(C)C)nc2C)[nH][n-]1 ZINC000565371646 504868136 /nfs/dbraw/zinc/86/81/36/504868136.db2.gz FWZSZDAZFATMBT-UHFFFAOYSA-N -1 3 373.844 3.499 20 0 FGADHM COc1ccc(Cl)cc1C[C@H]1CCCN(C(=O)Cc2cncc([O-])c2)C1 ZINC000565375020 504869305 /nfs/dbraw/zinc/86/93/05/504869305.db2.gz ZJWPNKPAFYQDLL-CQSZACIVSA-N -1 3 374.868 3.473 20 0 FGADHM COc1cccc(C(=O)Nc2ccc(F)cc2OC2CCOCC2)c1[O-] ZINC000553288600 504873747 /nfs/dbraw/zinc/87/37/47/504873747.db2.gz HFALRGOGOWVFDF-UHFFFAOYSA-N -1 3 361.369 3.350 20 0 FGADHM O=C(Cc1nc(-c2ccc(F)cc2)cs1)N=c1cc2ccccn2[n-]1 ZINC000553323055 504883127 /nfs/dbraw/zinc/88/31/27/504883127.db2.gz FUFKZYSHWURMDB-UHFFFAOYSA-N -1 3 352.394 3.200 20 0 FGADHM Cc1ccc2[n-]cc(C(=O)N3C[C@H](C)OC[C@H]3c3ccccc3)c(=O)c2c1 ZINC000553368678 504896558 /nfs/dbraw/zinc/89/65/58/504896558.db2.gz MKPAPWAVBUYDCS-YWZLYKJASA-N -1 3 362.429 3.439 20 0 FGADHM COCCN(Cc1ccc(C)o1)C(=O)c1c[n-]c2ccc(C)cc2c1=O ZINC000553391648 504902216 /nfs/dbraw/zinc/90/22/16/504902216.db2.gz FEXRDYYOCPKIAS-UHFFFAOYSA-N -1 3 354.406 3.027 20 0 FGADHM COCCN(C)CC[C@@H](N=c1[n-]nc(C(F)F)s1)c1ccccc1 ZINC000565501995 504905881 /nfs/dbraw/zinc/90/58/81/504905881.db2.gz HUKFHADKGAGXRB-CYBMUJFWSA-N -1 3 356.442 3.019 20 0 FGADHM Cc1cccc(O[C@@H]2CCCC[C@H]2NC(=O)c2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000565551206 504920177 /nfs/dbraw/zinc/92/01/77/504920177.db2.gz XTKPAJKIFOIELE-SJLPKXTDSA-N -1 3 367.449 3.488 20 0 FGADHM C[C@@H](Cc1ccccc1F)[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000553464164 504921599 /nfs/dbraw/zinc/92/15/99/504921599.db2.gz DQHIEMIKXUKWFH-JTQLQIEISA-N -1 3 362.348 3.149 20 0 FGADHM CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)c1c[n-]c2ccncc2c1=O ZINC000553499028 504933068 /nfs/dbraw/zinc/93/30/68/504933068.db2.gz XMGDHSDWVWTOHK-GOSISDBHSA-N -1 3 353.397 3.059 20 0 FGADHM Cc1cc(C(=O)N[C@@H](CO)c2ccc(Br)c(F)c2)ccc1[O-] ZINC000565617332 504938826 /nfs/dbraw/zinc/93/88/26/504938826.db2.gz OSQSEFMRWYMIGS-AWEZNQCLSA-N -1 3 368.202 3.066 20 0 FGADHM Cc1csc(C(C)(C)[N-]S(=O)(=O)Cc2cc(C(C)(C)C)on2)n1 ZINC000560025189 504973415 /nfs/dbraw/zinc/97/34/15/504973415.db2.gz OWEHHRUHFQJXPA-UHFFFAOYSA-N -1 3 357.501 3.092 20 0 FGADHM CCOc1nc2cc(C(=O)NCc3ccccc3-n3cccn3)ccc2[n-]1 ZINC000550201081 504991436 /nfs/dbraw/zinc/99/14/36/504991436.db2.gz KKKNXLLJTJWHCA-UHFFFAOYSA-N -1 3 361.405 3.077 20 0 FGADHM CCOc1nc2ccc(C(=O)NCc3ccccc3-n3cccn3)cc2[n-]1 ZINC000550201081 504991440 /nfs/dbraw/zinc/99/14/40/504991440.db2.gz KKKNXLLJTJWHCA-UHFFFAOYSA-N -1 3 361.405 3.077 20 0 FGADHM Cc1c(NC(=O)c2c[n-]nc2-c2ccc(Cl)cc2)cnn1[C@H]1CCOC1 ZINC000562940659 504994410 /nfs/dbraw/zinc/99/44/10/504994410.db2.gz BFPPUGUCMCJCCQ-AWEZNQCLSA-N -1 3 371.828 3.449 20 0 FGADHM Cn1c(COc2ccccc2Cl)nnc1SCc1ncccc1[O-] ZINC000565870866 505011367 /nfs/dbraw/zinc/01/13/67/505011367.db2.gz IWETXOVMMBFKLW-UHFFFAOYSA-N -1 3 362.842 3.440 20 0 FGADHM Cc1nc(-c2ccc(NC(=O)N3CCO[C@@H](C4CCC4)C3)cc2)cc(=O)[n-]1 ZINC000556902354 505011849 /nfs/dbraw/zinc/01/18/49/505011849.db2.gz WWVDPZYOARQFIA-GOSISDBHSA-N -1 3 368.437 3.190 20 0 FGADHM Cn1cc(Br)c(=NC(=O)C(C)(C)Cc2cccc(Cl)c2)[n-]1 ZINC000565952109 505037109 /nfs/dbraw/zinc/03/71/09/505037109.db2.gz LZEXRRAAIGZPJC-UHFFFAOYSA-N -1 3 370.678 3.465 20 0 FGADHM C[C@H]1Oc2cc(F)ccc2[C@H]1[N-]S(=O)(=O)Cc1ccccc1Cl ZINC000553911475 505040211 /nfs/dbraw/zinc/04/02/11/505040211.db2.gz MNAIXOMOADLQLF-HWPZZCPQSA-N -1 3 355.818 3.421 20 0 FGADHM C[C@H](CCOCc1ccccc1)[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000553911329 505040439 /nfs/dbraw/zinc/04/04/39/505040439.db2.gz KDECASFUJUATNW-CYBMUJFWSA-N -1 3 355.406 3.239 20 0 FGADHM O=C(CCc1ccc2ccccc2c1[O-])N[C@@H]1CCN(CC(F)(F)F)C1 ZINC000565990948 505047705 /nfs/dbraw/zinc/04/77/05/505047705.db2.gz UJTWTPBZGAPRAY-OAHLLOKOSA-N -1 3 366.383 3.231 20 0 FGADHM Cc1nc(-c2ccc(NC(=O)N(CC3CCC3)[C@H](C)CO)cc2)cc(=O)[n-]1 ZINC000560342722 505051695 /nfs/dbraw/zinc/05/16/95/505051695.db2.gz FISQHTAALVSMQU-CYBMUJFWSA-N -1 3 370.453 3.172 20 0 FGADHM O=C([O-])CCN(Cc1csc(-c2ccc(F)cc2)n1)C1CCOCC1 ZINC000563126310 505055078 /nfs/dbraw/zinc/05/50/78/505055078.db2.gz SKRASYWBHBLVTR-UHFFFAOYSA-N -1 3 364.442 3.405 20 0 FGADHM COC(=O)c1ccc(C(=O)Nc2cc(C3CC3)nn2-c2ccccc2)[n-]1 ZINC000550525623 505058168 /nfs/dbraw/zinc/05/81/68/505058168.db2.gz KKHYMZIFRODOED-UHFFFAOYSA-N -1 3 350.378 3.117 20 0 FGADHM C[C@H](NC(=O)Cc1ccc([O-])cc1Cl)[C@H]1OCCc2sccc21 ZINC000557072169 505059265 /nfs/dbraw/zinc/05/92/65/505059265.db2.gz CXCVSVCVXYAYJI-DYZYQPBXSA-N -1 3 351.855 3.468 20 0 FGADHM Cc1nc(C)c(CC(=O)NC[C@@H](C)Oc2ccc(C(C)C)cc2)c(=O)[n-]1 ZINC000554046242 505074952 /nfs/dbraw/zinc/07/49/52/505074952.db2.gz UUXOXJGWUSYQBJ-CYBMUJFWSA-N -1 3 357.454 3.049 20 0 FGADHM CCOc1ccc(Br)cc1NC(=O)c1ccc(C(=O)OC)[n-]1 ZINC000550632397 505077103 /nfs/dbraw/zinc/07/71/03/505077103.db2.gz DZWFQNPZPSITBW-UHFFFAOYSA-N -1 3 367.199 3.215 20 0 FGADHM C[C@@H](O)[C@H]([N-]S(=O)(=O)c1ccc(C(F)F)cc1)c1ccccc1F ZINC000563257052 505089705 /nfs/dbraw/zinc/08/97/05/505089705.db2.gz GRXQAVQYWZUQMS-BMIGLBTASA-N -1 3 359.369 3.164 20 0 FGADHM O=c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2Br)c[nH]1 ZINC000563286377 505097145 /nfs/dbraw/zinc/09/71/45/505097145.db2.gz PPVKESWKPMPAOZ-UHFFFAOYSA-N -1 3 363.620 3.004 20 0 FGADHM Cc1nc(C2([N-]S(=O)(=O)Cc3ccc(C)c(C)c3)CCCCC2)no1 ZINC000550827464 505110039 /nfs/dbraw/zinc/11/00/39/505110039.db2.gz RFVONZICCRSIKY-UHFFFAOYSA-N -1 3 363.483 3.274 20 0 FGADHM O=C1CC[C@@H](c2nc(-c3nnc(-c4cccc(Br)c4)[n-]3)no2)C1 ZINC000566217576 505114288 /nfs/dbraw/zinc/11/42/88/505114288.db2.gz RTJSPOCHJAICAG-SECBINFHSA-N -1 3 374.198 3.121 20 0 FGADHM O=C1CC[C@@H](c2nc(-c3nc(-c4cccc(Br)c4)n[n-]3)no2)C1 ZINC000566217576 505114292 /nfs/dbraw/zinc/11/42/92/505114292.db2.gz RTJSPOCHJAICAG-SECBINFHSA-N -1 3 374.198 3.121 20 0 FGADHM O=C1CC[C@@H](c2nc(-c3n[n-]c(-c4cccc(Br)c4)n3)no2)C1 ZINC000566217576 505114295 /nfs/dbraw/zinc/11/42/95/505114295.db2.gz RTJSPOCHJAICAG-SECBINFHSA-N -1 3 374.198 3.121 20 0 FGADHM CC(=O)c1cccc(NC(=O)[C@@H](c2ccccc2)N2CCSCC2)c1[O-] ZINC000560549600 505123092 /nfs/dbraw/zinc/12/30/92/505123092.db2.gz GHDUAIVTPLGWTB-GOSISDBHSA-N -1 3 370.474 3.323 20 0 FGADHM CCN(CC)C(=O)c1ccc(C(=O)Nc2cccc(C(C)=O)c2[O-])cc1 ZINC000566278682 505131678 /nfs/dbraw/zinc/13/16/78/505131678.db2.gz FPNXTTWOOXXWJB-UHFFFAOYSA-N -1 3 354.406 3.329 20 0 FGADHM Cc1cc(C)n(-c2ccc([C@H](C)NC(=O)Cc3cncc([O-])c3)cc2)n1 ZINC000563412288 505135623 /nfs/dbraw/zinc/13/56/23/505135623.db2.gz LLDDJPABXGHWMX-HNNXBMFYSA-N -1 3 350.422 3.010 20 0 FGADHM CN(Cc1ccc(C(=O)[O-])cc1)C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000566361303 505151996 /nfs/dbraw/zinc/15/19/96/505151996.db2.gz HYWMIBKPJJPDER-OAQYLSRUSA-N -1 3 368.477 3.108 20 0 FGADHM CC[C@H](NCC[N-]S(=O)(=O)c1ccc(F)cc1F)c1ccccc1F ZINC000563484175 505153364 /nfs/dbraw/zinc/15/33/64/505153364.db2.gz ZVQHSXHFORBDTQ-INIZCTEOSA-N -1 3 372.412 3.123 20 0 FGADHM CO[C@@H]1C[C@H](CC(=O)[O-])N(CCOc2ccc(Oc3ccccc3)cc2)C1 ZINC000566368724 505155736 /nfs/dbraw/zinc/15/57/36/505155736.db2.gz PQLKYJXFTGKHFO-OXQOHEQNSA-N -1 3 371.433 3.422 20 0 FGADHM O=C(N=c1cc2ccccn2[n-]1)c1cncc(-c2ccc3c(c2)CCO3)c1 ZINC000557527474 505157299 /nfs/dbraw/zinc/15/72/99/505157299.db2.gz RPYOCMHJTQGQLM-UHFFFAOYSA-N -1 3 356.385 3.005 20 0 FGADHM O=C(c1c[n-]c2c(F)cc(F)cc2c1=O)N1CCC[C@@H]1c1ccccn1 ZINC000554389872 505163022 /nfs/dbraw/zinc/16/30/22/505163022.db2.gz RTMVFGQJASAHDK-MRXNPFEDSA-N -1 3 355.344 3.179 20 0 FGADHM Cc1noc(C(C)(C)[N-]S(=O)(=O)c2ccc(OCCC(C)C)cc2)n1 ZINC000551127549 505163063 /nfs/dbraw/zinc/16/30/63/505163063.db2.gz VTZWEAGDVQGQSS-UHFFFAOYSA-N -1 3 367.471 3.017 20 0 FGADHM CC(C)(C)c1cc(CS(=O)(=O)[N-]C2(c3nccs3)CCCC2)no1 ZINC000551147838 505165864 /nfs/dbraw/zinc/16/58/64/505165864.db2.gz BCIZGHWSRBAHBN-UHFFFAOYSA-N -1 3 369.512 3.318 20 0 FGADHM COC(=O)c1nc[n-]c1NC(=O)[C@@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000566422306 505171496 /nfs/dbraw/zinc/17/14/96/505171496.db2.gz IDSCPHBMEZXVRK-VIFPVBQESA-N -1 3 355.316 3.032 20 0 FGADHM COC(=O)c1[n-]cnc1NC(=O)[C@@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000566422306 505171500 /nfs/dbraw/zinc/17/15/00/505171500.db2.gz IDSCPHBMEZXVRK-VIFPVBQESA-N -1 3 355.316 3.032 20 0 FGADHM C[N-]S(=O)(=O)c1cc(NC(=O)C2(CC(C)C)CCCC2)ccc1F ZINC000563557868 505175857 /nfs/dbraw/zinc/17/58/57/505175857.db2.gz WCZFTKMDKGWXRQ-UHFFFAOYSA-N -1 3 356.463 3.279 20 0 FGADHM CC1(C)SC[C@@H]1[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000551206462 505177386 /nfs/dbraw/zinc/17/73/86/505177386.db2.gz BAUQBPAPULZZED-VIFPVBQESA-N -1 3 370.721 3.275 20 0 FGADHM O=C(N[C@@H](CCO)c1ccc(Cl)c(Cl)c1)c1ccc2n[n-]nc2c1 ZINC000557599960 505179537 /nfs/dbraw/zinc/17/95/37/505179537.db2.gz OHTHNKUMMAGSIO-ZDUSSCGKSA-N -1 3 365.220 3.118 20 0 FGADHM C[C@@H](c1cccc(F)c1)N1CCN(Cc2nc3ccsc3c(=O)[n-]2)CC1 ZINC000551227592 505181346 /nfs/dbraw/zinc/18/13/46/505181346.db2.gz MRZCAKPFCXNIDE-ZDUSSCGKSA-N -1 3 372.469 3.415 20 0 FGADHM CCC[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C)c1 ZINC000554517028 505194840 /nfs/dbraw/zinc/19/48/40/505194840.db2.gz ODXPSQPLVNBRSC-IUODEOHRSA-N -1 3 371.478 3.214 20 0 FGADHM CO[C@H](c1ccccc1Cl)[C@H](C)NC(=O)N=c1cc2ccccn2[n-]1 ZINC000554535075 505200160 /nfs/dbraw/zinc/20/01/60/505200160.db2.gz WYLZGNWUJLWDOZ-SJCJKPOMSA-N -1 3 358.829 3.307 20 0 FGADHM COc1cc2c(cc1F)[n-]cc(C(=O)N[C@@H]1CCc3ccc(F)cc31)c2=O ZINC000566596611 505216970 /nfs/dbraw/zinc/21/69/70/505216970.db2.gz ORWGVPPOXOJXBQ-MRXNPFEDSA-N -1 3 370.355 3.232 20 0 FGADHM COc1ccccc1CN(CCO)Cc1cc([O-])cc(C(F)(F)F)c1 ZINC000563757088 505230447 /nfs/dbraw/zinc/23/04/47/505230447.db2.gz YJIHJVQILCTPNE-UHFFFAOYSA-N -1 3 355.356 3.414 20 0 FGADHM CC(C)[C@@H](CN=c1[n-]nc(C(F)F)s1)N1CCc2ccccc2C1 ZINC000554672570 505236915 /nfs/dbraw/zinc/23/69/15/505236915.db2.gz WVFNVRLBJKPVQI-CQSZACIVSA-N -1 3 352.454 3.392 20 0 FGADHM Cc1ccc(C[C@@H](C)[N-]S(=O)(=O)c2cccnc2C(F)(F)F)s1 ZINC000557821379 505238699 /nfs/dbraw/zinc/23/86/99/505238699.db2.gz SGKVQUYJQJXZFZ-SECBINFHSA-N -1 3 364.414 3.380 20 0 FGADHM CC(C)([N-]S(=O)(=O)c1cc(Br)cc2cccnc21)C1CC1 ZINC000557822594 505238761 /nfs/dbraw/zinc/23/87/61/505238761.db2.gz GKHOBTKJWAPRTR-UHFFFAOYSA-N -1 3 369.284 3.464 20 0 FGADHM Cc1cccc2nc(C[N-]S(=O)(=O)c3cc(Cl)ccc3F)n(C)c21 ZINC000551514541 505241031 /nfs/dbraw/zinc/24/10/31/505241031.db2.gz PIFKUHOZVQRJFU-UHFFFAOYSA-N -1 3 367.833 3.153 20 0 FGADHM C[C@H](C[N-]S(=O)(=O)c1cn2c(n1)CCC[C@@H]2C)c1ccc(F)cc1 ZINC000563798516 505242143 /nfs/dbraw/zinc/24/21/43/505242143.db2.gz UZJVCJZOQMCYIP-OLZOCXBDSA-N -1 3 351.447 3.002 20 0 FGADHM CCOc1cc(C(=O)N2CCN(C3CCC3)C[C@H](C)C2)cc(Cl)c1[O-] ZINC000557837363 505243160 /nfs/dbraw/zinc/24/31/60/505243160.db2.gz LEEGPGNMBVMNKV-ZDUSSCGKSA-N -1 3 366.889 3.391 20 0 FGADHM CN(Cc1ccc(OCC(F)(F)F)cc1)[C@@H](C(=O)[O-])c1cccnc1 ZINC000566688802 505244675 /nfs/dbraw/zinc/24/46/75/505244675.db2.gz BUYMBIZNVUGYFB-OAHLLOKOSA-N -1 3 354.328 3.280 20 0 FGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)c1ccc(Cl)cn1 ZINC000557853547 505246437 /nfs/dbraw/zinc/24/64/37/505246437.db2.gz ZTTUEFJGWWDKHO-VIFPVBQESA-N -1 3 361.250 3.437 20 0 FGADHM CC(C)CCN(CCC(C)C)C(=O)C[N-]S(=O)(=O)c1ccccc1F ZINC000563827532 505250389 /nfs/dbraw/zinc/25/03/89/505250389.db2.gz JSTHYDDXLZXUTE-UHFFFAOYSA-N -1 3 372.506 3.025 20 0 FGADHM O=c1cc(C2CC2)nc(SC[C@@H]2CN(Cc3ccccc3)CCCO2)[n-]1 ZINC000563826616 505250909 /nfs/dbraw/zinc/25/09/09/505250909.db2.gz PFACWGSPPWEVTK-KRWDZBQOSA-N -1 3 371.506 3.443 20 0 FGADHM COc1ccc2ccc(C(=O)Nc3ccc(Cc4nnn[n-]4)cc3)cc2c1 ZINC000551626403 505269896 /nfs/dbraw/zinc/26/98/96/505269896.db2.gz OIAIOZGANDCZET-UHFFFAOYSA-N -1 3 359.389 3.205 20 0 FGADHM COc1ccc2ccc(C(=O)Nc3ccc(Cc4nn[n-]n4)cc3)cc2c1 ZINC000551626403 505269897 /nfs/dbraw/zinc/26/98/97/505269897.db2.gz OIAIOZGANDCZET-UHFFFAOYSA-N -1 3 359.389 3.205 20 0 FGADHM O=C([O-])CN(Cc1cc(Br)ccc1OC(F)F)C1CC1 ZINC000566802164 505276355 /nfs/dbraw/zinc/27/63/55/505276355.db2.gz YNJOQZVITHUFLC-UHFFFAOYSA-N -1 3 350.159 3.100 20 0 FGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@@H](C)C1CCCCC1 ZINC000563923706 505277529 /nfs/dbraw/zinc/27/75/29/505277529.db2.gz LQJHDDORXMXVKY-AWEZNQCLSA-N -1 3 368.481 3.158 20 0 FGADHM CN(C)C[C@@H]([N-]S(=O)(=O)c1c(F)cccc1F)c1ccc(Cl)cc1 ZINC000554917841 505298890 /nfs/dbraw/zinc/29/88/90/505298890.db2.gz PUUPGCLBGOKVMT-OAHLLOKOSA-N -1 3 374.840 3.199 20 0 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/nfs/dbraw/zinc/35/56/79/505355679.db2.gz VYZHLUSHYOYUAN-UHFFFAOYSA-N -1 3 354.385 3.476 20 0 FGADHM CC1(C)CCC[C@H]1c1nc(-c2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)no1 ZINC000567082847 505358952 /nfs/dbraw/zinc/35/89/52/505358952.db2.gz XDFPNFCPHFUACX-DJJJIMSYSA-N -1 3 354.410 3.085 20 0 FGADHM Cc1cccc2nc(C[N-]S(=O)(=O)c3c(Cl)ccc(F)c3F)[nH]c21 ZINC000561539783 505372958 /nfs/dbraw/zinc/37/29/58/505372958.db2.gz PLYQEWIAXUXRJA-UHFFFAOYSA-N -1 3 371.796 3.281 20 0 FGADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@H]1CCC1(C)C ZINC000561554863 505376167 /nfs/dbraw/zinc/37/61/67/505376167.db2.gz VGRZQGABSCOVPH-LBPRGKRZSA-N -1 3 366.252 3.064 20 0 FGADHM CC(C)c1ccc([C@@H](C)CC(=O)N2CCC[C@@H]2c2nc(=N)n(C)[n-]2)cc1 ZINC000558401977 505378021 /nfs/dbraw/zinc/37/80/21/505378021.db2.gz XKUATVMLIFJUJI-WMLDXEAASA-N -1 3 355.486 3.208 20 0 FGADHM CN(C)c1nc(C(=O)Nc2nc(C=Cc3ccccc3)cs2)cc(=O)[n-]1 ZINC000555255642 505392596 /nfs/dbraw/zinc/39/25/96/505392596.db2.gz JBOZYCVGYVYXBP-HJWRWDBZSA-N -1 3 367.434 3.127 20 0 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FGADHM COC(=O)c1cc(Cl)cc(NC(=O)c2cnn(C(C)(C)C)c2C)c1[O-] ZINC000588099240 507762234 /nfs/dbraw/zinc/76/22/34/507762234.db2.gz MJCLONICNQDXTM-UHFFFAOYSA-N -1 3 365.817 3.344 20 0 FGADHM COC(=O)c1cc(Cl)cc(NC(=O)c2cc(=O)[nH]c(C3CC3)c2)c1[O-] ZINC000588101044 507762980 /nfs/dbraw/zinc/76/29/80/507762980.db2.gz VRUQGFVAPAPLBA-UHFFFAOYSA-N -1 3 362.769 3.063 20 0 FGADHM C[C@@H]1CCN(C(=O)c2csc(=NC3CC3)[n-]2)CCN1Cc1ccccc1 ZINC000476545090 515095392 /nfs/dbraw/zinc/09/53/92/515095392.db2.gz UKZYMHBKHYHXFJ-OAHLLOKOSA-N -1 3 370.522 3.454 20 0 FGADHM O=C(N[C@H](CN1CCCC1)c1ccccc1)c1csc(=NC2CC2)[n-]1 ZINC000476657605 515145894 /nfs/dbraw/zinc/14/58/94/515145894.db2.gz QAMUAHPYONPVIH-MRXNPFEDSA-N -1 3 356.495 3.284 20 0 FGADHM Cc1nccn1-c1ccc(CNC(=O)c2csc(=NC3CC3)[n-]2)cc1F ZINC000476928248 515254171 /nfs/dbraw/zinc/25/41/71/515254171.db2.gz GPFAAFSNQDDCAW-UHFFFAOYSA-N -1 3 371.441 3.281 20 0 FGADHM Cn1[n-]c(=NC(=O)[C@H]2C[C@@H]2c2ccccc2OC(F)F)cc1OC(F)F ZINC000491040283 515361870 /nfs/dbraw/zinc/36/18/70/515361870.db2.gz VGSCOHMLCCMNLB-ZJUUUORDSA-N -1 3 373.306 3.365 20 0 FGADHM C[C@H](CNC(=O)N=c1cc2ccc(Br)cn2[n-]1)C(F)(F)F ZINC000482180016 515599399 /nfs/dbraw/zinc/59/93/99/515599399.db2.gz BDERRGHKOMWPCS-SSDOTTSWSA-N -1 3 365.153 3.417 20 0 FGADHM Cc1ccccc1-c1cc(=NC(=O)c2cnc(C3CCCC3)nc2N)[nH][n-]1 ZINC000493321206 515621698 /nfs/dbraw/zinc/62/16/98/515621698.db2.gz NXRMDRQHLJQTBG-UHFFFAOYSA-N -1 3 362.437 3.089 20 0 FGADHM Cc1cc(C(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)c(C)n1-c1nccs1 ZINC000473849583 515773545 /nfs/dbraw/zinc/77/35/45/515773545.db2.gz WSZWCBPPPVSLQF-CQSZACIVSA-N -1 3 357.439 3.378 20 0 FGADHM Cc1cc(C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)nn1-c1cccc(F)c1 ZINC000473854032 515777041 /nfs/dbraw/zinc/77/70/41/515777041.db2.gz XXEJKIRNBDNEHM-INIZCTEOSA-N -1 3 355.373 3.147 20 0 FGADHM O=C(Cc1c[nH]c2ncccc12)N=c1cc2ccc(Br)cn2[n-]1 ZINC000511333084 515867664 /nfs/dbraw/zinc/86/76/64/515867664.db2.gz LEJMTNRRPUSNSN-UHFFFAOYSA-N -1 3 370.210 3.154 20 0 FGADHM CN(C)c1ccc(C(=O)N=c2cc3ccc(Br)cn3[n-]2)cc1 ZINC000511381938 515883037 /nfs/dbraw/zinc/88/30/37/515883037.db2.gz JIQAZSDLPVWPQZ-UHFFFAOYSA-N -1 3 359.227 3.415 20 0 FGADHM Cc1ccccc1-c1cc(=NC(=O)C(=O)c2cnn(C(C)(C)C)c2)[nH][n-]1 ZINC000512349357 516248979 /nfs/dbraw/zinc/24/89/79/516248979.db2.gz VFAGBHQUSLQZTF-UHFFFAOYSA-N -1 3 351.410 3.158 20 0 FGADHM CCOC(=O)c1ccc(C(=O)N=c2cc(-c3ccccc3)[n-][nH]2)nc1C ZINC000497580231 516327005 /nfs/dbraw/zinc/32/70/05/516327005.db2.gz YVFNUOUMIBQWNN-UHFFFAOYSA-N -1 3 350.378 3.209 20 0 FGADHM Cc1ccccc1-c1cc(=NC(=O)C[C@H](NC(N)=O)c2ccccc2)[nH][n-]1 ZINC000540420207 516547561 /nfs/dbraw/zinc/54/75/61/516547561.db2.gz JAJFGVOCUOAEAK-INIZCTEOSA-N -1 3 363.421 3.123 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)c2cn(C(C)C)cn2)c1-c1ccc2c(c1)OCCO2 ZINC000524071666 516640609 /nfs/dbraw/zinc/64/06/09/516640609.db2.gz YTYKGMXMVJHMNH-UHFFFAOYSA-N -1 3 367.409 3.186 20 0 FGADHM CN(Cc1ccccc1)CC(C)(C)NC(=O)N=c1ccc(C2CC2)n[n-]1 ZINC000513746628 516738250 /nfs/dbraw/zinc/73/82/50/516738250.db2.gz APJZKQFNSUPWRD-UHFFFAOYSA-N -1 3 353.470 3.386 20 0 FGADHM CCc1c(C(=O)N=c2cc(-c3ccccc3)[n-][nH]2)cnn1-c1ccccn1 ZINC000519067628 516873622 /nfs/dbraw/zinc/87/36/22/516873622.db2.gz IIUBRYMDINTFMJ-UHFFFAOYSA-N -1 3 358.405 3.472 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)C2CCSCC2)c1-c1ccc2c(c1)OCCO2 ZINC000532525975 517019644 /nfs/dbraw/zinc/01/96/44/517019644.db2.gz NHHAGEUHNNBFJY-UHFFFAOYSA-N -1 3 359.451 3.238 20 0 FGADHM CCN=c1[n-]c(C(=O)Nc2nc3cc(OC)c(OC)cc3s2)cs1 ZINC000532641244 517077683 /nfs/dbraw/zinc/07/76/83/517077683.db2.gz SBCRFSUCCQVHGD-UHFFFAOYSA-N -1 3 364.452 3.454 20 0 FGADHM Cc1nc(CC2CC2)sc1C(=O)N=c1[n-]n(C)cc1Br ZINC000514938247 517134101 /nfs/dbraw/zinc/13/41/01/517134101.db2.gz DTKLUIWQDREKGG-UHFFFAOYSA-N -1 3 355.261 3.152 20 0 FGADHM CC[C@H]1C[C@@H](C(=O)N=c2cc(-c3cc(C)c(C)cc3C)[n-][nH]2)CC(=O)N1 ZINC000541759910 517201643 /nfs/dbraw/zinc/20/16/43/517201643.db2.gz XTYYASAJPRDYDU-CABCVRRESA-N -1 3 354.454 3.245 20 0 FGADHM O=C(COc1ccc(Cl)c2cccnc12)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000525967062 517263109 /nfs/dbraw/zinc/26/31/09/517263109.db2.gz NLKXKTDZPCKHGF-CQSZACIVSA-N -1 3 372.812 3.480 20 0 FGADHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)C(=O)Nc1cccc(Cl)c1Cl ZINC000526939529 517397888 /nfs/dbraw/zinc/39/78/88/517397888.db2.gz SZUWPVNEZSMSCV-LLVKDONJSA-N -1 3 369.208 3.145 20 0 FGADHM CCc1c(C(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)cnn1-c1ccc(F)cc1 ZINC000526959337 517410398 /nfs/dbraw/zinc/41/03/98/517410398.db2.gz JNQVGULMLLAXOE-QGZVFWFLSA-N -1 3 369.400 3.401 20 0 FGADHM CCCc1ccc(-c2cc(=NC(=O)CC[C@]3(C)CCC(=O)N3)[nH][n-]2)cc1 ZINC000542447166 517569404 /nfs/dbraw/zinc/56/94/04/517569404.db2.gz YDLKYBDJPHXSMJ-HXUWFJFHSA-N -1 3 354.454 3.417 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@@H]2CCN(CC(F)(F)F)C2)c1-c1ccccc1 ZINC000527476229 517697902 /nfs/dbraw/zinc/69/79/02/517697902.db2.gz YJJWVGVQVKESBQ-CYBMUJFWSA-N -1 3 352.360 3.208 20 0 FGADHM CC(C)CCc1ccccc1NC(=O)C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000527480009 517700155 /nfs/dbraw/zinc/70/01/55/517700155.db2.gz ULRLPFMESQCTNR-QGZVFWFLSA-N -1 3 370.453 3.427 20 0 FGADHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000527499282 517710359 /nfs/dbraw/zinc/71/03/59/517710359.db2.gz ULRKRTGSBGCROZ-HKUYNNGSSA-N -1 3 371.437 3.137 20 0 FGADHM Cc1cc(=NC(=O)N(CCCc2ccccc2)CCN(C)C)[n-]nc1C ZINC000521382607 517713273 /nfs/dbraw/zinc/71/32/73/517713273.db2.gz OLZCCSDUGCHXGO-UHFFFAOYSA-N -1 3 355.486 3.122 20 0 FGADHM CCCCc1n[n-]c(=NC(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)s1 ZINC000530461640 517790973 /nfs/dbraw/zinc/79/09/73/517790973.db2.gz ZILRGLGDSBMWDN-HOCLYGCPSA-N -1 3 359.499 3.448 20 0 FGADHM CCC(CC)n1nc(C)cc1C(=O)N=c1[n-]n(C)cc1Br ZINC000516868483 517883955 /nfs/dbraw/zinc/88/39/55/517883955.db2.gz IIIUFAPKFKMBAE-UHFFFAOYSA-N -1 3 354.252 3.301 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@@H]2C[C@H]2C(F)(F)F)c1-c1ccc2c(c1)OCCO2 ZINC000521970777 517924371 /nfs/dbraw/zinc/92/43/71/517924371.db2.gz XRPKGURFWMFFMC-GHMZBOCLSA-N -1 3 367.327 3.293 20 0 FGADHM CCOC(=O)C(C)(C)CC(=O)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1 ZINC000517021463 517981412 /nfs/dbraw/zinc/98/14/12/517981412.db2.gz DHQWRTHMCGKUBC-UHFFFAOYSA-N -1 3 351.353 3.273 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)c1-c1ccccc1 ZINC000522168851 518012423 /nfs/dbraw/zinc/01/24/23/518012423.db2.gz ZKJBNEJVDKFHDO-INIZCTEOSA-N -1 3 360.417 3.377 20 0 FGADHM C[C@H](SCc1ccccc1)C(=O)N=c1[n-]n(C)cc1Br ZINC000517237479 518082639 /nfs/dbraw/zinc/08/26/39/518082639.db2.gz IMZDXWNSOCYDJF-JTQLQIEISA-N -1 3 354.273 3.443 20 0 FGADHM Cc1ccccc1C1(C(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)CCOCC1 ZINC000616825794 520164500 /nfs/dbraw/zinc/16/45/00/520164500.db2.gz AQTZUZFJAWTTAD-QGZVFWFLSA-N -1 3 355.438 3.257 20 0 FGADHM Cc1cc(C(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)c(C)n1CC(F)(F)F ZINC000616826566 520164743 /nfs/dbraw/zinc/16/47/43/520164743.db2.gz PINHXYCEOWOQIW-CYBMUJFWSA-N -1 3 356.348 3.494 20 0 FGADHM COc1cccc(-c2c(C)[n-][nH]c2=NC(=O)[C@@H](C)c2c(C)nn(C)c2C)c1 ZINC000629693164 522398141 /nfs/dbraw/zinc/39/81/41/522398141.db2.gz CNHRPOYPRCXESD-NSHDSACASA-N -1 3 367.453 3.486 20 0 FGADHM CCC[C@H](C)N1C[C@@H](C(=O)N=c2[nH][n-]c(C)c2-c2ccccc2F)CC1=O ZINC000630024331 522586053 /nfs/dbraw/zinc/58/60/53/522586053.db2.gz NOSKYOYRLBFUKE-JSGCOSHPSA-N -1 3 372.444 3.500 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@@H]2CC(=O)N[C@@H]3CCCC[C@@H]32)c1-c1ccccc1F ZINC000630024699 522589497 /nfs/dbraw/zinc/58/94/97/522589497.db2.gz LNMGICFTFAJZAW-XNRPHZJLSA-N -1 3 370.428 3.158 20 0 FGADHM O=C(CCCc1ccc2c(c1)OCCCO2)N=c1cc2ccccn2[n-]1 ZINC000627148922 522678672 /nfs/dbraw/zinc/67/86/72/522678672.db2.gz OYCDHRXKWIANGP-UHFFFAOYSA-N -1 3 351.406 3.457 20 0 FGADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)c2cnn3ccncc23)[nH][n-]1 ZINC000493640282 561457311 /nfs/dbraw/zinc/45/73/11/561457311.db2.gz IDVWOLDSBZHHAV-UHFFFAOYSA-N -1 3 368.784 3.034 20 0 FGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)[C@@H]1CCC(=O)c2cccn21 ZINC000511355054 561866408 /nfs/dbraw/zinc/86/64/08/561866408.db2.gz KHTRHSZOCZWODF-ZDUSSCGKSA-N -1 3 373.210 3.055 20 0 FGADHM Cc1nn(CC(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)cc1-c1ccccc1 ZINC000525968000 562261569 /nfs/dbraw/zinc/26/15/69/562261569.db2.gz ZFYSTFLSRGYCBL-QGZVFWFLSA-N -1 3 351.410 3.072 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)N1CCCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000636822787 568116782 /nfs/dbraw/zinc/11/67/82/568116782.db2.gz JWPYSXPJEKTTOJ-DJIMGWMZSA-N -1 3 350.434 3.147 20 0 FGADHM CC[C@@H](OC(=O)COc1ccccc1-c1nnn[n-]1)c1ccc(F)cc1F ZINC000736383707 598823508 /nfs/dbraw/zinc/82/35/08/598823508.db2.gz UBGIQTJMQNCKBZ-OAHLLOKOSA-N -1 3 374.347 3.218 20 0 FGADHM CC[C@@H](OC(=O)COc1ccccc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC000736383707 598823509 /nfs/dbraw/zinc/82/35/09/598823509.db2.gz UBGIQTJMQNCKBZ-OAHLLOKOSA-N -1 3 374.347 3.218 20 0 FGADHM CCc1ccc([C@@H]2CCCCCN2C(=O)c2ccc(-c3nnn[n-]3)cn2)o1 ZINC000736689493 598835565 /nfs/dbraw/zinc/83/55/65/598835565.db2.gz YBAGSVYGOHMWMP-INIZCTEOSA-N -1 3 366.425 3.175 20 0 FGADHM CCc1ccc([C@@H]2CCCCCN2C(=O)c2ccc(-c3nn[n-]n3)cn2)o1 ZINC000736689493 598835566 /nfs/dbraw/zinc/83/55/66/598835566.db2.gz YBAGSVYGOHMWMP-INIZCTEOSA-N -1 3 366.425 3.175 20 0 FGADHM C[C@H]1CC(NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)C[C@H](C)C1 ZINC000736225850 598838243 /nfs/dbraw/zinc/83/82/43/598838243.db2.gz SKOFDBXBYIIISR-HUUCEWRRSA-N -1 3 371.485 3.357 20 0 FGADHM C[C@H]1CC(NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)C[C@H](C)C1 ZINC000736225850 598838245 /nfs/dbraw/zinc/83/82/45/598838245.db2.gz SKOFDBXBYIIISR-HUUCEWRRSA-N -1 3 371.485 3.357 20 0 FGADHM CN(CCc1ccc(Cl)cc1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736803746 598838727 /nfs/dbraw/zinc/83/87/27/598838727.db2.gz AKXRZBITYDROOV-UHFFFAOYSA-N -1 3 356.817 3.227 20 0 FGADHM CN(CCc1ccc(Cl)cc1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736803746 598838729 /nfs/dbraw/zinc/83/87/29/598838729.db2.gz AKXRZBITYDROOV-UHFFFAOYSA-N -1 3 356.817 3.227 20 0 FGADHM Cc1nn(-c2ccc(-c3nn[n-]n3)cc2)c(NC(=O)CC2CCCC2)c1C ZINC000737502692 598840349 /nfs/dbraw/zinc/84/03/49/598840349.db2.gz IFQCYNKHUSRDKS-UHFFFAOYSA-N -1 3 365.441 3.188 20 0 FGADHM CC[C@H](OC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000736384184 598843637 /nfs/dbraw/zinc/84/36/37/598843637.db2.gz VXZUKWSBHFTIAW-BBRMVZONSA-N -1 3 352.394 3.329 20 0 FGADHM CC[C@H](OC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000736384184 598843639 /nfs/dbraw/zinc/84/36/39/598843639.db2.gz VXZUKWSBHFTIAW-BBRMVZONSA-N -1 3 352.394 3.329 20 0 FGADHM O=C(O[C@@H]1C=CCCC1)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000738214998 598845509 /nfs/dbraw/zinc/84/55/09/598845509.db2.gz PAHBWXCWLIIZOU-OAHLLOKOSA-N -1 3 366.377 3.304 20 0 FGADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1F)c1cc(Cl)nc(Cl)c1 ZINC000738232061 598847091 /nfs/dbraw/zinc/84/70/91/598847091.db2.gz OIYDKSUVJLXVPX-UHFFFAOYSA-N -1 3 368.155 3.065 20 0 FGADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1F)c1cc(Cl)nc(Cl)c1 ZINC000738232061 598847093 /nfs/dbraw/zinc/84/70/93/598847093.db2.gz OIYDKSUVJLXVPX-UHFFFAOYSA-N -1 3 368.155 3.065 20 0 FGADHM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ncc(-c2ccccc2)o1 ZINC000736119912 598848284 /nfs/dbraw/zinc/84/82/84/598848284.db2.gz SHZUJIQFXIDPOF-GFCCVEGCSA-N -1 3 360.377 3.013 20 0 FGADHM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ncc(-c2ccccc2)o1 ZINC000736119912 598848285 /nfs/dbraw/zinc/84/82/85/598848285.db2.gz SHZUJIQFXIDPOF-GFCCVEGCSA-N -1 3 360.377 3.013 20 0 FGADHM CC(=O)Nc1cccc(NC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000735489092 598850449 /nfs/dbraw/zinc/85/04/49/598850449.db2.gz VMRDGCUDAFULQZ-UHFFFAOYSA-N -1 3 371.788 3.123 20 0 FGADHM CC(=O)Nc1cccc(NC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000735489092 598850451 /nfs/dbraw/zinc/85/04/51/598850451.db2.gz VMRDGCUDAFULQZ-UHFFFAOYSA-N -1 3 371.788 3.123 20 0 FGADHM CCSc1cccc(NC(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736667383 598865342 /nfs/dbraw/zinc/86/53/42/598865342.db2.gz PACBAWKWLDPTBT-GFCCVEGCSA-N -1 3 369.450 3.385 20 0 FGADHM C[C@@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)Cc1cccc(Cl)c1 ZINC000736038987 598881646 /nfs/dbraw/zinc/88/16/46/598881646.db2.gz YJDCPXKCRNCICA-LBPRGKRZSA-N -1 3 372.812 3.073 20 0 FGADHM C[C@@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)Cc1cccc(Cl)c1 ZINC000736038987 598881648 /nfs/dbraw/zinc/88/16/48/598881648.db2.gz YJDCPXKCRNCICA-LBPRGKRZSA-N -1 3 372.812 3.073 20 0 FGADHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)c1ccc(Cl)cc1 ZINC000736041532 598885101 /nfs/dbraw/zinc/88/51/01/598885101.db2.gz XJYALXRKXYJJNB-LLVKDONJSA-N -1 3 358.785 3.144 20 0 FGADHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)c1ccc(Cl)cc1 ZINC000736041532 598885103 /nfs/dbraw/zinc/88/51/03/598885103.db2.gz XJYALXRKXYJJNB-LLVKDONJSA-N -1 3 358.785 3.144 20 0 FGADHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)C=Cc1ccccc1F ZINC000736037842 598887746 /nfs/dbraw/zinc/88/77/46/598887746.db2.gz OZBXXUIDDVIFAJ-WTNCMQEWSA-N -1 3 368.368 3.030 20 0 FGADHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)C=Cc1ccccc1F ZINC000736037842 598887748 /nfs/dbraw/zinc/88/77/48/598887748.db2.gz OZBXXUIDDVIFAJ-WTNCMQEWSA-N -1 3 368.368 3.030 20 0 FGADHM CCn1cc(C(=O)Nc2sc(-c3ccccc3)cc2-c2nnn[n-]2)cn1 ZINC000736717400 598904686 /nfs/dbraw/zinc/90/46/86/598904686.db2.gz AMDVLAFHHVFJBQ-UHFFFAOYSA-N -1 3 365.422 3.064 20 0 FGADHM CCn1cc(C(=O)Nc2sc(-c3ccccc3)cc2-c2nn[n-]n2)cn1 ZINC000736717400 598904687 /nfs/dbraw/zinc/90/46/87/598904687.db2.gz AMDVLAFHHVFJBQ-UHFFFAOYSA-N -1 3 365.422 3.064 20 0 FGADHM CC(C)(C)CCCNC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000735603021 598907367 /nfs/dbraw/zinc/90/73/67/598907367.db2.gz VHNFIONLQJCDDC-UHFFFAOYSA-N -1 3 356.474 3.367 20 0 FGADHM CC(C)(C)CCCNC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000735603021 598907369 /nfs/dbraw/zinc/90/73/69/598907369.db2.gz VHNFIONLQJCDDC-UHFFFAOYSA-N -1 3 356.474 3.367 20 0 FGADHM CC[C@@H]1c2ccccc2CCN1C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000736404741 598908249 /nfs/dbraw/zinc/90/82/49/598908249.db2.gz AGCKMWFSQKCODY-YAINUAMHSA-N -1 3 359.433 3.416 20 0 FGADHM CC[C@@H]1c2ccccc2CCN1C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000736404741 598908250 /nfs/dbraw/zinc/90/82/50/598908250.db2.gz AGCKMWFSQKCODY-YAINUAMHSA-N -1 3 359.433 3.416 20 0 FGADHM C[C@@](O)(CNc1ccc(Cl)cc1-c1nnn[n-]1)c1ccc(F)cc1F ZINC000736144320 598915579 /nfs/dbraw/zinc/91/55/79/598915579.db2.gz YRNSCUNWGVEWFY-MRXNPFEDSA-N -1 3 365.771 3.118 20 0 FGADHM C[C@@](O)(CNc1ccc(Cl)cc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC000736144320 598915581 /nfs/dbraw/zinc/91/55/81/598915581.db2.gz YRNSCUNWGVEWFY-MRXNPFEDSA-N -1 3 365.771 3.118 20 0 FGADHM O=C(NCc1coc2ccccc12)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738124009 598924267 /nfs/dbraw/zinc/92/42/67/598924267.db2.gz HENWZNJKTBTXDB-UHFFFAOYSA-N -1 3 352.329 3.074 20 0 FGADHM O=C(NCc1coc2ccccc12)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738124009 598924269 /nfs/dbraw/zinc/92/42/69/598924269.db2.gz HENWZNJKTBTXDB-UHFFFAOYSA-N -1 3 352.329 3.074 20 0 FGADHM CC(=O)N(c1nc(CSc2ccc(-c3nnn[n-]3)cc2)cs1)C1CC1 ZINC000735459982 598924979 /nfs/dbraw/zinc/92/49/79/598924979.db2.gz AXIJFBLCJIFGHC-UHFFFAOYSA-N -1 3 372.479 3.131 20 0 FGADHM CC(=O)N(c1nc(CSc2ccc(-c3nn[n-]n3)cc2)cs1)C1CC1 ZINC000735459982 598924981 /nfs/dbraw/zinc/92/49/81/598924981.db2.gz AXIJFBLCJIFGHC-UHFFFAOYSA-N -1 3 372.479 3.131 20 0 FGADHM Cc1cccc(C)c1OC[C@@H](C)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC000737391379 598938455 /nfs/dbraw/zinc/93/84/55/598938455.db2.gz YZPNXYLESJQIRU-GFCCVEGCSA-N -1 3 358.833 3.411 20 0 FGADHM Cc1cccc(C)c1OC[C@@H](C)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC000737391379 598938456 /nfs/dbraw/zinc/93/84/56/598938456.db2.gz YZPNXYLESJQIRU-GFCCVEGCSA-N -1 3 358.833 3.411 20 0 FGADHM Clc1ccc2[nH]c(CNc3ncc(-c4nn[n-]n4)cc3Cl)nc2c1 ZINC000737572771 598943063 /nfs/dbraw/zinc/94/30/63/598943063.db2.gz DTGIEMGFOQKFPD-UHFFFAOYSA-N -1 3 361.196 3.057 20 0 FGADHM Cc1cccnc1[C@H](NC(=S)Nc1ccccc1-c1nnn[n-]1)C(C)C ZINC000737437138 598978267 /nfs/dbraw/zinc/97/82/67/598978267.db2.gz XPJOFLYJCZBFOT-OAHLLOKOSA-N -1 3 367.482 3.254 20 0 FGADHM Cc1cccnc1[C@H](NC(=S)Nc1ccccc1-c1nn[n-]n1)C(C)C ZINC000737437138 598978269 /nfs/dbraw/zinc/97/82/69/598978269.db2.gz XPJOFLYJCZBFOT-OAHLLOKOSA-N -1 3 367.482 3.254 20 0 FGADHM OCCC[C@H](Nc1cc(-c2nnn[n-]2)c2ccccc2n1)c1ccccc1 ZINC000738394994 598978990 /nfs/dbraw/zinc/97/89/90/598978990.db2.gz UDEAFGWFKJLAKS-KRWDZBQOSA-N -1 3 360.421 3.341 20 0 FGADHM OCCC[C@H](Nc1cc(-c2nn[n-]n2)c2ccccc2n1)c1ccccc1 ZINC000738394994 598978992 /nfs/dbraw/zinc/97/89/92/598978992.db2.gz UDEAFGWFKJLAKS-KRWDZBQOSA-N -1 3 360.421 3.341 20 0 FGADHM Cc1sc(NC(=O)Cc2c[nH]c3ccc(F)cc23)c(-c2nnn[n-]2)c1C ZINC000737563731 598980380 /nfs/dbraw/zinc/98/03/80/598980380.db2.gz PPMKKPJVIORLMY-UHFFFAOYSA-N -1 3 370.413 3.347 20 0 FGADHM Cc1sc(NC(=O)Cc2c[nH]c3ccc(F)cc23)c(-c2nn[n-]n2)c1C ZINC000737563731 598980381 /nfs/dbraw/zinc/98/03/81/598980381.db2.gz PPMKKPJVIORLMY-UHFFFAOYSA-N -1 3 370.413 3.347 20 0 FGADHM Cc1ccc(N(C(C)C)S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000737347000 599006475 /nfs/dbraw/zinc/00/64/75/599006475.db2.gz KDOCYEODKHJAPV-UHFFFAOYSA-N -1 3 371.466 3.087 20 0 FGADHM Cc1ccc(N(C(C)C)S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000737347000 599006477 /nfs/dbraw/zinc/00/64/77/599006477.db2.gz KDOCYEODKHJAPV-UHFFFAOYSA-N -1 3 371.466 3.087 20 0 FGADHM CCO[C@@H]1C[C@@H](N(C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)C12CCCC2 ZINC000736619062 599012723 /nfs/dbraw/zinc/01/27/23/599012723.db2.gz XDVKTNPFVNFRRD-HZPDHXFCSA-N -1 3 370.457 3.068 20 0 FGADHM CCO[C@@H]1C[C@@H](N(C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)C12CCCC2 ZINC000736619062 599012725 /nfs/dbraw/zinc/01/27/25/599012725.db2.gz XDVKTNPFVNFRRD-HZPDHXFCSA-N -1 3 370.457 3.068 20 0 FGADHM CCN(C(=S)Nc1ccccc1-c1nnn[n-]1)[C@H](C)c1cccnc1 ZINC000736509336 599013901 /nfs/dbraw/zinc/01/39/01/599013901.db2.gz VDKBBKRTUOXMRS-GFCCVEGCSA-N -1 3 353.455 3.042 20 0 FGADHM CCN(C(=S)Nc1ccccc1-c1nn[n-]n1)[C@H](C)c1cccnc1 ZINC000736509336 599013902 /nfs/dbraw/zinc/01/39/02/599013902.db2.gz VDKBBKRTUOXMRS-GFCCVEGCSA-N -1 3 353.455 3.042 20 0 FGADHM CC(C)C[C@@H]1CCCCCN1C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000735796189 599021696 /nfs/dbraw/zinc/02/16/96/599021696.db2.gz WKROUTZJLBUWTM-KRWDZBQOSA-N -1 3 356.474 3.367 20 0 FGADHM CC(C)C[C@@H]1CCCCCN1C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000735796189 599021697 /nfs/dbraw/zinc/02/16/97/599021697.db2.gz WKROUTZJLBUWTM-KRWDZBQOSA-N -1 3 356.474 3.367 20 0 FGADHM CSc1nc(C2CC2)cc(C(=O)NC[C@@H](C)C(C)(C)C)c1-c1nnn[n-]1 ZINC000737190708 599033496 /nfs/dbraw/zinc/03/34/96/599033496.db2.gz ZUANFSVTEOBQDG-SNVBAGLBSA-N -1 3 374.514 3.273 20 0 FGADHM CCc1c(C)sc(NC(=O)c2nc(C)n3ccccc23)c1-c1nnn[n-]1 ZINC000736678727 599036588 /nfs/dbraw/zinc/03/65/88/599036588.db2.gz GIJITHGAZPJFPZ-UHFFFAOYSA-N -1 3 367.438 3.007 20 0 FGADHM CCc1c(C)sc(NC(=O)c2nc(C)n3ccccc23)c1-c1nn[n-]n1 ZINC000736678727 599036591 /nfs/dbraw/zinc/03/65/91/599036591.db2.gz GIJITHGAZPJFPZ-UHFFFAOYSA-N -1 3 367.438 3.007 20 0 FGADHM C[C@H]1CN(c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)Cc2ccccc21 ZINC000736292562 599039467 /nfs/dbraw/zinc/03/94/67/599039467.db2.gz KWVBOPRCMVMXOT-JTQLQIEISA-N -1 3 360.343 3.404 20 0 FGADHM C[C@H]1CN(c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)Cc2ccccc21 ZINC000736292562 599039469 /nfs/dbraw/zinc/03/94/69/599039469.db2.gz KWVBOPRCMVMXOT-JTQLQIEISA-N -1 3 360.343 3.404 20 0 FGADHM COc1ccc(C)cc1CNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000737078508 599042107 /nfs/dbraw/zinc/04/21/07/599042107.db2.gz YPUPUIHDFKQUBP-UHFFFAOYSA-N -1 3 364.331 3.210 20 0 FGADHM COc1ccc(C)cc1CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000737078508 599042110 /nfs/dbraw/zinc/04/21/10/599042110.db2.gz YPUPUIHDFKQUBP-UHFFFAOYSA-N -1 3 364.331 3.210 20 0 FGADHM C[C@@H](Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)c1cccc(O)c1 ZINC000736136779 599050841 /nfs/dbraw/zinc/05/08/41/599050841.db2.gz INBAASVVWUMTEG-MRVPVSSYSA-N -1 3 350.304 3.159 20 0 FGADHM C[C@@H](Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)c1cccc(O)c1 ZINC000736136779 599050844 /nfs/dbraw/zinc/05/08/44/599050844.db2.gz INBAASVVWUMTEG-MRVPVSSYSA-N -1 3 350.304 3.159 20 0 FGADHM Cc1cccc([C@@H](C)CNC(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737390385 599053536 /nfs/dbraw/zinc/05/35/36/599053536.db2.gz SRFOURJQCIUPKU-LSDHHAIUSA-N -1 3 364.453 3.339 20 0 FGADHM Cc1cccc([C@@H](C)CNC(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737390385 599053539 /nfs/dbraw/zinc/05/35/39/599053539.db2.gz SRFOURJQCIUPKU-LSDHHAIUSA-N -1 3 364.453 3.339 20 0 FGADHM C[C@@H](CNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)Oc1ccccc1 ZINC000736027216 599055202 /nfs/dbraw/zinc/05/52/02/599055202.db2.gz ZQDVATJIEQSIKN-JTQLQIEISA-N -1 3 364.331 3.160 20 0 FGADHM C[C@@H](CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)Oc1ccccc1 ZINC000736027216 599055205 /nfs/dbraw/zinc/05/52/05/599055205.db2.gz ZQDVATJIEQSIKN-JTQLQIEISA-N -1 3 364.331 3.160 20 0 FGADHM FC(F)(F)c1cc(N2CCOC3(CCCCC3)C2)ccc1-c1nnn[n-]1 ZINC000822723619 599055729 /nfs/dbraw/zinc/05/57/29/599055729.db2.gz IDMLOMXOOVHMTN-UHFFFAOYSA-N -1 3 367.375 3.425 20 0 FGADHM FC(F)(F)c1cc(N2CCOC3(CCCCC3)C2)ccc1-c1nn[n-]n1 ZINC000822723619 599055731 /nfs/dbraw/zinc/05/57/31/599055731.db2.gz IDMLOMXOOVHMTN-UHFFFAOYSA-N -1 3 367.375 3.425 20 0 FGADHM Cc1ccc2cccc(C(=O)OCc3cc(-c4nnn[n-]4)ccc3F)c2n1 ZINC000737375841 599058967 /nfs/dbraw/zinc/05/89/67/599058967.db2.gz XWHUGBRLTBYBBP-UHFFFAOYSA-N -1 3 363.352 3.219 20 0 FGADHM Cc1ccc2cccc(C(=O)OCc3cc(-c4nn[n-]n4)ccc3F)c2n1 ZINC000737375841 599058969 /nfs/dbraw/zinc/05/89/69/599058969.db2.gz XWHUGBRLTBYBBP-UHFFFAOYSA-N -1 3 363.352 3.219 20 0 FGADHM COc1cccc(O[C@@H](C)CNc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000821873555 599063286 /nfs/dbraw/zinc/06/32/86/599063286.db2.gz VLJYPDGPXNBTCT-NSHDSACASA-N -1 3 359.817 3.408 20 0 FGADHM COc1cccc(O[C@@H](C)CNc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000821873555 599063290 /nfs/dbraw/zinc/06/32/90/599063290.db2.gz VLJYPDGPXNBTCT-NSHDSACASA-N -1 3 359.817 3.408 20 0 FGADHM Cc1ccc(C)c(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000737327285 599066137 /nfs/dbraw/zinc/06/61/37/599066137.db2.gz YHJQWZRWURDVJL-UHFFFAOYSA-N -1 3 357.414 3.353 20 0 FGADHM Cc1ccc(C)c(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000737327285 599066139 /nfs/dbraw/zinc/06/61/39/599066139.db2.gz YHJQWZRWURDVJL-UHFFFAOYSA-N -1 3 357.414 3.353 20 0 FGADHM Fc1cc(-c2nnn[n-]2)ccc1SCc1ccc(-n2cccn2)cc1 ZINC000737645029 599066447 /nfs/dbraw/zinc/06/64/47/599066447.db2.gz OCQWVHSBLRMTRC-UHFFFAOYSA-N -1 3 352.398 3.484 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1SCc1ccc(-n2cccn2)cc1 ZINC000737645029 599066449 /nfs/dbraw/zinc/06/64/49/599066449.db2.gz OCQWVHSBLRMTRC-UHFFFAOYSA-N -1 3 352.398 3.484 20 0 FGADHM CCN(C(=O)c1c(F)cccc1F)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736505398 599071068 /nfs/dbraw/zinc/07/10/68/599071068.db2.gz HYXQCCVIXAMZRK-NSHDSACASA-N -1 3 357.364 3.368 20 0 FGADHM CCN(C(=O)c1c(F)cccc1F)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736505398 599071071 /nfs/dbraw/zinc/07/10/71/599071071.db2.gz HYXQCCVIXAMZRK-NSHDSACASA-N -1 3 357.364 3.368 20 0 FGADHM C[C@@H]1CCC[C@H](C)N(C(=O)CSCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736245574 599087043 /nfs/dbraw/zinc/08/70/43/599087043.db2.gz SWNAFRMSCXVTNV-KGLIPLIRSA-N -1 3 359.499 3.137 20 0 FGADHM C[C@@H]1CCC[C@H](C)N(C(=O)CSCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736245574 599087046 /nfs/dbraw/zinc/08/70/46/599087046.db2.gz SWNAFRMSCXVTNV-KGLIPLIRSA-N -1 3 359.499 3.137 20 0 FGADHM C[C@@H]1CN(c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)[C@@H]1c1ccccc1 ZINC000820775500 599095715 /nfs/dbraw/zinc/09/57/15/599095715.db2.gz ILHMXDSHSBTCEY-YGRLFVJLSA-N -1 3 360.343 3.478 20 0 FGADHM C[C@@H]1CN(c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)[C@@H]1c1ccccc1 ZINC000820775500 599095718 /nfs/dbraw/zinc/09/57/18/599095718.db2.gz ILHMXDSHSBTCEY-YGRLFVJLSA-N -1 3 360.343 3.478 20 0 FGADHM CC[C@H]1CN(c2c(-c3nnn[n-]3)cnc3c(F)ccc(F)c32)CCS1 ZINC000820994129 599101935 /nfs/dbraw/zinc/10/19/35/599101935.db2.gz DZEPGZJBWVLIOT-VIFPVBQESA-N -1 3 362.409 3.025 20 0 FGADHM CC[C@H]1CN(c2c(-c3nn[n-]n3)cnc3c(F)ccc(F)c32)CCS1 ZINC000820994129 599101937 /nfs/dbraw/zinc/10/19/37/599101937.db2.gz DZEPGZJBWVLIOT-VIFPVBQESA-N -1 3 362.409 3.025 20 0 FGADHM C[C@H](c1ccc(F)cc1)N(C)C(=O)CSc1ccccc1-c1nnn[n-]1 ZINC000736199089 599109095 /nfs/dbraw/zinc/10/90/95/599109095.db2.gz NKLNWLPXZGVGLL-GFCCVEGCSA-N -1 3 371.441 3.318 20 0 FGADHM C[C@H](c1ccc(F)cc1)N(C)C(=O)CSc1ccccc1-c1nn[n-]n1 ZINC000736199089 599109096 /nfs/dbraw/zinc/10/90/96/599109096.db2.gz NKLNWLPXZGVGLL-GFCCVEGCSA-N -1 3 371.441 3.318 20 0 FGADHM O[C@@H](C[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000823675190 599109875 /nfs/dbraw/zinc/10/98/75/599109875.db2.gz VKDVCANUBQPEPV-YJBOKZPZSA-N -1 3 353.401 3.098 20 0 FGADHM Cc1ccc([C@@H](C)NC(=O)CSc2ccccc2-c2nnn[n-]2)cc1C ZINC000737322317 599109894 /nfs/dbraw/zinc/10/98/94/599109894.db2.gz XWVREDVGYYIZSM-CQSZACIVSA-N -1 3 367.478 3.453 20 0 FGADHM Cc1ccc([C@@H](C)NC(=O)CSc2ccccc2-c2nn[n-]n2)cc1C ZINC000737322317 599109897 /nfs/dbraw/zinc/10/98/97/599109897.db2.gz XWVREDVGYYIZSM-CQSZACIVSA-N -1 3 367.478 3.453 20 0 FGADHM C[C@@H]1CCN(C)c2ccccc2N1C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000736276722 599112370 /nfs/dbraw/zinc/11/23/70/599112370.db2.gz OTFIQKIXJCUMQB-AYJWMTRPSA-N -1 3 374.448 3.142 20 0 FGADHM C[C@@H]1CCN(C)c2ccccc2N1C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000736276722 599112375 /nfs/dbraw/zinc/11/23/75/599112375.db2.gz OTFIQKIXJCUMQB-AYJWMTRPSA-N -1 3 374.448 3.142 20 0 FGADHM C[C@H](CCc1cccc(F)c1)C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820254699 599136809 /nfs/dbraw/zinc/13/68/09/599136809.db2.gz VCMAKIOCVHPWEF-ZIAGYGMSSA-N -1 3 367.428 3.452 20 0 FGADHM C[C@H](CCc1cccc(F)c1)C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820254699 599136812 /nfs/dbraw/zinc/13/68/12/599136812.db2.gz VCMAKIOCVHPWEF-ZIAGYGMSSA-N -1 3 367.428 3.452 20 0 FGADHM C[C@H]1CN(Cc2cc(-c3nnn[n-]3)ccc2F)C[C@H](c2ccc(F)cc2)O1 ZINC000736288165 599141446 /nfs/dbraw/zinc/14/14/46/599141446.db2.gz RNQLRAMHEJKUOC-KPZWWZAWSA-N -1 3 371.391 3.107 20 0 FGADHM C[C@H]1CN(Cc2cc(-c3nn[n-]n3)ccc2F)C[C@H](c2ccc(F)cc2)O1 ZINC000736288165 599141449 /nfs/dbraw/zinc/14/14/49/599141449.db2.gz RNQLRAMHEJKUOC-KPZWWZAWSA-N -1 3 371.391 3.107 20 0 FGADHM Cc1cnc(CSc2nc(C)cc(C(F)(F)F)c2-c2nnn[n-]2)o1 ZINC000737244560 599161837 /nfs/dbraw/zinc/16/18/37/599161837.db2.gz HVLXSKAINCIKQO-UHFFFAOYSA-N -1 3 356.333 3.178 20 0 FGADHM Fc1cccc(-c2nnc(COc3ccc(-c4nnn[n-]4)cc3Cl)o2)c1 ZINC000737667950 599162778 /nfs/dbraw/zinc/16/27/78/599162778.db2.gz SQFBRDUXHVRQHB-UHFFFAOYSA-N -1 3 372.747 3.288 20 0 FGADHM Fc1cccc(-c2nnc(COc3ccc(-c4nn[n-]n4)cc3Cl)o2)c1 ZINC000737667950 599162781 /nfs/dbraw/zinc/16/27/81/599162781.db2.gz SQFBRDUXHVRQHB-UHFFFAOYSA-N -1 3 372.747 3.288 20 0 FGADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)c1cc2ccccc2s1 ZINC000823241727 599165309 /nfs/dbraw/zinc/16/53/09/599165309.db2.gz DZXLBPFGANUKEI-UHFFFAOYSA-N -1 3 353.382 3.151 20 0 FGADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)c1cc2ccccc2s1 ZINC000823241727 599165310 /nfs/dbraw/zinc/16/53/10/599165310.db2.gz DZXLBPFGANUKEI-UHFFFAOYSA-N -1 3 353.382 3.151 20 0 FGADHM Cc1c2cccc(F)c2oc1C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822021059 599173991 /nfs/dbraw/zinc/17/39/91/599173991.db2.gz UEILXKMLCGSKBE-UHFFFAOYSA-N -1 3 369.331 3.130 20 0 FGADHM Cc1c2cccc(F)c2oc1C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822021059 599173993 /nfs/dbraw/zinc/17/39/93/599173993.db2.gz UEILXKMLCGSKBE-UHFFFAOYSA-N -1 3 369.331 3.130 20 0 FGADHM Cc1nc(S[C@H](C)C(=O)Nc2ccccc2-c2nnn[n-]2)sc1C ZINC000737484007 599174015 /nfs/dbraw/zinc/17/40/15/599174015.db2.gz RGTSZUYDAUENKA-SNVBAGLBSA-N -1 3 360.468 3.059 20 0 FGADHM Cc1nc(S[C@H](C)C(=O)Nc2ccccc2-c2nn[n-]n2)sc1C ZINC000737484007 599174019 /nfs/dbraw/zinc/17/40/19/599174019.db2.gz RGTSZUYDAUENKA-SNVBAGLBSA-N -1 3 360.468 3.059 20 0 FGADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCC2)c1cnc2ccsc2c1 ZINC000738212618 599179484 /nfs/dbraw/zinc/17/94/84/599179484.db2.gz XWVSMNZHWHRKQW-UHFFFAOYSA-N -1 3 368.447 3.279 20 0 FGADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCC2)c1cnc2ccsc2c1 ZINC000738212618 599179485 /nfs/dbraw/zinc/17/94/85/599179485.db2.gz XWVSMNZHWHRKQW-UHFFFAOYSA-N -1 3 368.447 3.279 20 0 FGADHM C[C@H]1CCc2sc(C(=O)NCc3cc(-c4nnn[n-]4)ccc3F)cc2C1 ZINC000820733702 599180585 /nfs/dbraw/zinc/18/05/85/599180585.db2.gz IKMMDZXKTRHNFR-JTQLQIEISA-N -1 3 371.441 3.122 20 0 FGADHM C[C@H]1CCc2sc(C(=O)NCc3cc(-c4nn[n-]n4)ccc3F)cc2C1 ZINC000820733702 599180586 /nfs/dbraw/zinc/18/05/86/599180586.db2.gz IKMMDZXKTRHNFR-JTQLQIEISA-N -1 3 371.441 3.122 20 0 FGADHM C[C@@H](CC(=O)OCCOc1cccc(-c2nnn[n-]2)c1)c1cccc(F)c1 ZINC000735977357 599184774 /nfs/dbraw/zinc/18/47/74/599184774.db2.gz NVCHOAXIGNNRJA-ZDUSSCGKSA-N -1 3 370.384 3.122 20 0 FGADHM C[C@@H](CC(=O)OCCOc1cccc(-c2nn[n-]n2)c1)c1cccc(F)c1 ZINC000735977357 599184776 /nfs/dbraw/zinc/18/47/76/599184776.db2.gz NVCHOAXIGNNRJA-ZDUSSCGKSA-N -1 3 370.384 3.122 20 0 FGADHM C[C@@H](C(=O)Nc1ccc(-c2nnn[n-]2)cn1)c1ccccc1C(F)(F)F ZINC000735550923 599188399 /nfs/dbraw/zinc/18/83/99/599188399.db2.gz NHGJMLUVCJPLJM-SECBINFHSA-N -1 3 362.315 3.023 20 0 FGADHM C[C@@H](C(=O)Nc1ccc(-c2nn[n-]n2)cn1)c1ccccc1C(F)(F)F ZINC000735550923 599188403 /nfs/dbraw/zinc/18/84/03/599188403.db2.gz NHGJMLUVCJPLJM-SECBINFHSA-N -1 3 362.315 3.023 20 0 FGADHM C[C@H](C(=O)NCc1ccc(-c2nnn[n-]2)cc1F)c1cccc(Cl)c1 ZINC000735546616 599188636 /nfs/dbraw/zinc/18/86/36/599188636.db2.gz FPQQNVMDOGWDKB-JTQLQIEISA-N -1 3 359.792 3.079 20 0 FGADHM C[C@H](C(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1cccc(Cl)c1 ZINC000735546616 599188639 /nfs/dbraw/zinc/18/86/39/599188639.db2.gz FPQQNVMDOGWDKB-JTQLQIEISA-N -1 3 359.792 3.079 20 0 FGADHM C[C@H]1C[C@H](c2ccccc2F)N(C(=O)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820668830 599190017 /nfs/dbraw/zinc/19/00/17/599190017.db2.gz XDAPBVINVPFSKS-SCLBCKFNSA-N -1 3 365.412 3.158 20 0 FGADHM C[C@H]1C[C@H](c2ccccc2F)N(C(=O)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820668830 599190020 /nfs/dbraw/zinc/19/00/20/599190020.db2.gz XDAPBVINVPFSKS-SCLBCKFNSA-N -1 3 365.412 3.158 20 0 FGADHM Cc1cc(F)cc2[nH]c(C(=O)N(C)Cc3cccc(-c4nnn[n-]4)c3)cc21 ZINC000737264329 599200616 /nfs/dbraw/zinc/20/06/16/599200616.db2.gz PXFZQHYZOAPXLW-UHFFFAOYSA-N -1 3 364.384 3.068 20 0 FGADHM Cc1cc(F)cc2[nH]c(C(=O)N(C)Cc3cccc(-c4nn[n-]n4)c3)cc21 ZINC000737264329 599200618 /nfs/dbraw/zinc/20/06/18/599200618.db2.gz PXFZQHYZOAPXLW-UHFFFAOYSA-N -1 3 364.384 3.068 20 0 FGADHM CC[C@H](Cc1ccccc1)N(C)C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000736349014 599210095 /nfs/dbraw/zinc/21/00/95/599210095.db2.gz CSNDFICNFIGDGQ-KAUXGEHWSA-N -1 3 361.449 3.360 20 0 FGADHM CC[C@H](Cc1ccccc1)N(C)C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000736349014 599210096 /nfs/dbraw/zinc/21/00/96/599210096.db2.gz CSNDFICNFIGDGQ-KAUXGEHWSA-N -1 3 361.449 3.360 20 0 FGADHM Cc1cc(Cl)cc(NC(=O)CCc2ccc(-c3nn[n-]n3)cc2)c1O ZINC000737263497 599214848 /nfs/dbraw/zinc/21/48/48/599214848.db2.gz KGMFQVXPMOWVMR-UHFFFAOYSA-N -1 3 357.801 3.105 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)NC(C)(C)c1cccs1 ZINC000736637952 599219499 /nfs/dbraw/zinc/21/94/99/599219499.db2.gz VLPDPOIMCPNBCP-UHFFFAOYSA-N -1 3 372.454 3.384 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)NC(C)(C)c1cccs1 ZINC000736637952 599219501 /nfs/dbraw/zinc/21/95/01/599219501.db2.gz VLPDPOIMCPNBCP-UHFFFAOYSA-N -1 3 372.454 3.384 20 0 FGADHM C[C@@H]1C[C@@H]1C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000820669144 599219862 /nfs/dbraw/zinc/21/98/62/599219862.db2.gz YXYOYZQGUPOYTR-MFKMUULPSA-N -1 3 353.357 3.393 20 0 FGADHM C[C@@H]1C[C@@H]1C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000820669144 599219865 /nfs/dbraw/zinc/21/98/65/599219865.db2.gz YXYOYZQGUPOYTR-MFKMUULPSA-N -1 3 353.357 3.393 20 0 FGADHM Fc1ccc(CSCc2nccn2CC(F)(F)F)c(-c2nnn[n-]2)c1 ZINC000822773961 599224106 /nfs/dbraw/zinc/22/41/06/599224106.db2.gz CLVUXZZNANNIHP-UHFFFAOYSA-N -1 3 372.351 3.198 20 0 FGADHM Fc1ccc(CSCc2nccn2CC(F)(F)F)c(-c2nn[n-]n2)c1 ZINC000822773961 599224109 /nfs/dbraw/zinc/22/41/09/599224109.db2.gz CLVUXZZNANNIHP-UHFFFAOYSA-N -1 3 372.351 3.198 20 0 FGADHM C[C@@H](CNC(=S)Nc1ccccc1-c1nnn[n-]1)c1ccc(F)cc1F ZINC000820273941 599230292 /nfs/dbraw/zinc/23/02/92/599230292.db2.gz AKDCMRLMHOMXJL-JTQLQIEISA-N -1 3 374.420 3.235 20 0 FGADHM C[C@@H](CNC(=S)Nc1ccccc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC000820273941 599230297 /nfs/dbraw/zinc/23/02/97/599230297.db2.gz AKDCMRLMHOMXJL-JTQLQIEISA-N -1 3 374.420 3.235 20 0 FGADHM CC(C)(C)[C@@H](NC(=O)c1ncc(-c2nnn[n-]2)cc1Cl)c1ccccc1 ZINC000819899375 607262536 /nfs/dbraw/zinc/26/25/36/607262536.db2.gz UJRHGXOLJCNIFA-HNNXBMFYSA-N -1 3 370.844 3.432 20 0 FGADHM CC(C)(C)[C@@H](NC(=O)c1ncc(-c2nn[n-]n2)cc1Cl)c1ccccc1 ZINC000819899375 607262537 /nfs/dbraw/zinc/26/25/37/607262537.db2.gz UJRHGXOLJCNIFA-HNNXBMFYSA-N -1 3 370.844 3.432 20 0 FGADHM CCN(C(=O)c1ncc(-c2nnn[n-]2)cc1Cl)c1cc(C)cc(C)c1 ZINC000821159896 607262639 /nfs/dbraw/zinc/26/26/39/607262639.db2.gz CWYQRVNQYOSJST-UHFFFAOYSA-N -1 3 356.817 3.199 20 0 FGADHM CCN(C(=O)c1ncc(-c2nn[n-]n2)cc1Cl)c1cc(C)cc(C)c1 ZINC000821159896 607262640 /nfs/dbraw/zinc/26/26/40/607262640.db2.gz CWYQRVNQYOSJST-UHFFFAOYSA-N -1 3 356.817 3.199 20 0 FGADHM CC[C@H](C)N(Cc1ccccc1)C(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000820875468 607262885 /nfs/dbraw/zinc/26/28/85/607262885.db2.gz ATCWREANLHMHJF-LBPRGKRZSA-N -1 3 370.844 3.356 20 0 FGADHM CC[C@H](C)N(Cc1ccccc1)C(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000820875468 607262886 /nfs/dbraw/zinc/26/28/86/607262886.db2.gz ATCWREANLHMHJF-LBPRGKRZSA-N -1 3 370.844 3.356 20 0 FGADHM C[C@@H]1C[C@H]1[C@H](NC(=O)c1ccc(-c2nnn[n-]2)cn1)c1ccc(Cl)cc1 ZINC000736234779 599226787 /nfs/dbraw/zinc/22/67/87/599226787.db2.gz KJFXHZUHBIKSTN-QSGSBWRWSA-N -1 3 368.828 3.042 20 0 FGADHM C[C@@H]1C[C@H]1[C@H](NC(=O)c1ccc(-c2nn[n-]n2)cn1)c1ccc(Cl)cc1 ZINC000736234779 599226789 /nfs/dbraw/zinc/22/67/89/599226789.db2.gz KJFXHZUHBIKSTN-QSGSBWRWSA-N -1 3 368.828 3.042 20 0 FGADHM CCCOc1cccc(CC(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821134597 607264622 /nfs/dbraw/zinc/26/46/22/607264622.db2.gz ZFMUWRRMSSIXNW-AWEZNQCLSA-N -1 3 365.437 3.075 20 0 FGADHM CCCOc1cccc(CC(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821134597 607264623 /nfs/dbraw/zinc/26/46/23/607264623.db2.gz ZFMUWRRMSSIXNW-AWEZNQCLSA-N -1 3 365.437 3.075 20 0 FGADHM CCCOc1cccc(CC(=O)OCc2cc(F)ccc2-c2nnn[n-]2)c1 ZINC000821134627 607265417 /nfs/dbraw/zinc/26/54/17/607265417.db2.gz ZVFRPDAGEVCUNK-UHFFFAOYSA-N -1 3 370.384 3.081 20 0 FGADHM CCCOc1cccc(CC(=O)OCc2cc(F)ccc2-c2nn[n-]n2)c1 ZINC000821134627 607265418 /nfs/dbraw/zinc/26/54/18/607265418.db2.gz ZVFRPDAGEVCUNK-UHFFFAOYSA-N -1 3 370.384 3.081 20 0 FGADHM CC(C)COCCCNc1ccc(Br)cc1-c1nnn[n-]1 ZINC000735838492 599361344 /nfs/dbraw/zinc/36/13/44/599361344.db2.gz RDLPVRWXSKKVMO-UHFFFAOYSA-N -1 3 354.252 3.104 20 0 FGADHM CC(C)COCCCNc1ccc(Br)cc1-c1nn[n-]n1 ZINC000735838492 599361347 /nfs/dbraw/zinc/36/13/47/599361347.db2.gz RDLPVRWXSKKVMO-UHFFFAOYSA-N -1 3 354.252 3.104 20 0 FGADHM COc1ccc(CCNc2ccc(Br)cc2-c2nn[n-]n2)cc1 ZINC000737090917 599362295 /nfs/dbraw/zinc/36/22/95/599362295.db2.gz WICNCIKPZQCBCW-UHFFFAOYSA-N -1 3 374.242 3.292 20 0 FGADHM FC(F)(F)CCCNC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000822714870 599239182 /nfs/dbraw/zinc/23/91/82/599239182.db2.gz VLEUAKNVPXGEAX-UHFFFAOYSA-N -1 3 364.784 3.149 20 0 FGADHM FC(F)(F)CCCNC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000822714870 599239186 /nfs/dbraw/zinc/23/91/86/599239186.db2.gz VLEUAKNVPXGEAX-UHFFFAOYSA-N -1 3 364.784 3.149 20 0 FGADHM Cc1c(NC(=O)Cc2ccccc2C(F)(F)F)cccc1-c1nnn[n-]1 ZINC000822075414 607270474 /nfs/dbraw/zinc/27/04/74/607270474.db2.gz FINIWQHUCHTGSZ-UHFFFAOYSA-N -1 3 361.327 3.375 20 0 FGADHM Cc1c(NC(=O)Cc2ccccc2C(F)(F)F)cccc1-c1nn[n-]n1 ZINC000822075414 607270475 /nfs/dbraw/zinc/27/04/75/607270475.db2.gz FINIWQHUCHTGSZ-UHFFFAOYSA-N -1 3 361.327 3.375 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C=Cc1ccnc2ccccc12 ZINC000737290747 599248869 /nfs/dbraw/zinc/24/88/69/599248869.db2.gz GAOGZCBRJUKMLO-HJWRWDBZSA-N -1 3 356.389 3.375 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C=Cc1ccnc2ccccc12 ZINC000737290747 599248871 /nfs/dbraw/zinc/24/88/71/599248871.db2.gz GAOGZCBRJUKMLO-HJWRWDBZSA-N -1 3 356.389 3.375 20 0 FGADHM CCSCC[C@@H](C)NC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000821461530 599249419 /nfs/dbraw/zinc/24/94/19/599249419.db2.gz QBSCWGDRAMEGCG-SECBINFHSA-N -1 3 354.867 3.173 20 0 FGADHM CCSCC[C@@H](C)NC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000821461530 599249422 /nfs/dbraw/zinc/24/94/22/599249422.db2.gz QBSCWGDRAMEGCG-SECBINFHSA-N -1 3 354.867 3.173 20 0 FGADHM C[C@@H]1Cc2ccccc2CN1C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820814009 599249977 /nfs/dbraw/zinc/24/99/77/599249977.db2.gz PGGCZQICNQVPKR-LLVKDONJSA-N -1 3 368.828 3.499 20 0 FGADHM C[C@@H]1Cc2ccccc2CN1C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820814009 599249980 /nfs/dbraw/zinc/24/99/80/599249980.db2.gz PGGCZQICNQVPKR-LLVKDONJSA-N -1 3 368.828 3.499 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N[C@H]1C[C@@H]1Cc1ccccc1 ZINC000823303938 599250563 /nfs/dbraw/zinc/25/05/63/599250563.db2.gz ZJLHIBZPUNTPIW-LRDDRELGSA-N -1 3 368.828 3.273 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N[C@H]1C[C@@H]1Cc1ccccc1 ZINC000823303938 599250564 /nfs/dbraw/zinc/25/05/64/599250564.db2.gz ZJLHIBZPUNTPIW-LRDDRELGSA-N -1 3 368.828 3.273 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N[C@@H]1C[C@@H]1Cc1ccccc1 ZINC000823303937 599250706 /nfs/dbraw/zinc/25/07/06/599250706.db2.gz ZJLHIBZPUNTPIW-BLLLJJGKSA-N -1 3 368.828 3.273 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N[C@@H]1C[C@@H]1Cc1ccccc1 ZINC000823303937 599250709 /nfs/dbraw/zinc/25/07/09/599250709.db2.gz ZJLHIBZPUNTPIW-BLLLJJGKSA-N -1 3 368.828 3.273 20 0 FGADHM Fc1ccc(CNc2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)cc1 ZINC000737648308 599253654 /nfs/dbraw/zinc/25/36/54/599253654.db2.gz ISOUKNQBCHAJGU-UHFFFAOYSA-N -1 3 354.776 3.241 20 0 FGADHM Fc1ccc(CNc2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)cc1 ZINC000737648308 599253656 /nfs/dbraw/zinc/25/36/56/599253656.db2.gz ISOUKNQBCHAJGU-UHFFFAOYSA-N -1 3 354.776 3.241 20 0 FGADHM CCc1ccc([C@H](CNC(=O)Nc2ccccc2CC(=O)[O-])N(C)C)cc1 ZINC000818335883 597341387 /nfs/dbraw/zinc/34/13/87/597341387.db2.gz WXHRYGJXSBTQTF-IBGZPJMESA-N -1 3 369.465 3.301 20 0 FGADHM C[C@H](NC(=O)N1CCC2(C1)CCCCC2)c1ccc(-c2nnn[n-]2)cc1 ZINC000820342876 599261890 /nfs/dbraw/zinc/26/18/90/599261890.db2.gz XLZGSXRIQVERJV-AWEZNQCLSA-N -1 3 354.458 3.294 20 0 FGADHM C[C@H](NC(=O)N1CCC2(C1)CCCCC2)c1ccc(-c2nn[n-]n2)cc1 ZINC000820342876 599261891 /nfs/dbraw/zinc/26/18/91/599261891.db2.gz XLZGSXRIQVERJV-AWEZNQCLSA-N -1 3 354.458 3.294 20 0 FGADHM CC[C@](C)(NC(=O)Nc1cccc(-c2nnn[n-]2)c1C)c1nccs1 ZINC000820853109 607289709 /nfs/dbraw/zinc/28/97/09/607289709.db2.gz KPIBCTXITDKXPN-INIZCTEOSA-N -1 3 357.443 3.079 20 0 FGADHM CC[C@](C)(NC(=O)Nc1cccc(-c2nn[n-]n2)c1C)c1nccs1 ZINC000820853109 607289710 /nfs/dbraw/zinc/28/97/10/607289710.db2.gz KPIBCTXITDKXPN-INIZCTEOSA-N -1 3 357.443 3.079 20 0 FGADHM Cc1cccc(O[C@@H](C)CNC(=O)Nc2cccc(-c3nnn[n-]3)c2C)c1 ZINC000822327863 607290357 /nfs/dbraw/zinc/29/03/57/607290357.db2.gz KSDZYCYKLVZNGW-ZDUSSCGKSA-N -1 3 366.425 3.073 20 0 FGADHM Cc1cccc(O[C@@H](C)CNC(=O)Nc2cccc(-c3nn[n-]n3)c2C)c1 ZINC000822327863 607290358 /nfs/dbraw/zinc/29/03/58/607290358.db2.gz KSDZYCYKLVZNGW-ZDUSSCGKSA-N -1 3 366.425 3.073 20 0 FGADHM Cc1c(NC(=O)N2CCC(OC3CCCC3)CC2)cccc1-c1nnn[n-]1 ZINC000822084846 607290628 /nfs/dbraw/zinc/29/06/28/607290628.db2.gz QEOOCNHZJMFSRC-UHFFFAOYSA-N -1 3 370.457 3.131 20 0 FGADHM Cc1c(NC(=O)N2CCC(OC3CCCC3)CC2)cccc1-c1nn[n-]n1 ZINC000822084846 607290629 /nfs/dbraw/zinc/29/06/29/607290629.db2.gz QEOOCNHZJMFSRC-UHFFFAOYSA-N -1 3 370.457 3.131 20 0 FGADHM COc1cccc([C@@H](C)NC(=O)Nc2cccc(-c3nnn[n-]3)c2C)c1 ZINC000821859229 607290706 /nfs/dbraw/zinc/29/07/06/607290706.db2.gz MRFHZDJUOZWGKG-GFCCVEGCSA-N -1 3 352.398 3.066 20 0 FGADHM COc1cccc([C@@H](C)NC(=O)Nc2cccc(-c3nn[n-]n3)c2C)c1 ZINC000821859229 607290707 /nfs/dbraw/zinc/29/07/07/607290707.db2.gz MRFHZDJUOZWGKG-GFCCVEGCSA-N -1 3 352.398 3.066 20 0 FGADHM Cc1c(NC(=O)NCc2ccccc2OC(F)F)cccc1-c1nnn[n-]1 ZINC000822104201 607292663 /nfs/dbraw/zinc/29/26/63/607292663.db2.gz LFMLGISQSJABRO-UHFFFAOYSA-N -1 3 374.351 3.098 20 0 FGADHM Cc1c(NC(=O)NCc2ccccc2OC(F)F)cccc1-c1nn[n-]n1 ZINC000822104201 607292664 /nfs/dbraw/zinc/29/26/64/607292664.db2.gz LFMLGISQSJABRO-UHFFFAOYSA-N -1 3 374.351 3.098 20 0 FGADHM CC[C@@H](Oc1ccccc1C)C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000820937670 607295603 /nfs/dbraw/zinc/29/56/03/607295603.db2.gz BRXJDJNBEQRCEB-MRXNPFEDSA-N -1 3 351.410 3.280 20 0 FGADHM CC[C@@H](Oc1ccccc1C)C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000820937670 607295604 /nfs/dbraw/zinc/29/56/04/607295604.db2.gz BRXJDJNBEQRCEB-MRXNPFEDSA-N -1 3 351.410 3.280 20 0 FGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)Nc1nc2ccsc2s1 ZINC000737948119 599263001 /nfs/dbraw/zinc/26/30/01/599263001.db2.gz PEPVLPGMFMXVLX-UHFFFAOYSA-N -1 3 374.476 3.269 20 0 FGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)Nc1nc2ccsc2s1 ZINC000737948119 599263003 /nfs/dbraw/zinc/26/30/03/599263003.db2.gz PEPVLPGMFMXVLX-UHFFFAOYSA-N -1 3 374.476 3.269 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1N(Cc1cccs1)C[C@H]1CCCO1 ZINC000822744298 607304857 /nfs/dbraw/zinc/30/48/57/607304857.db2.gz QCBGLILIYBKCTF-CYBMUJFWSA-N -1 3 359.430 3.253 20 0 FGADHM Clc1cccc(-c2nnn[n-]2)c1NCc1cccc2c1OCCCO2 ZINC000822585712 607306043 /nfs/dbraw/zinc/30/60/43/607306043.db2.gz LRRMAZZMBDIHOO-UHFFFAOYSA-N -1 3 357.801 3.294 20 0 FGADHM Clc1cccc(-c2nn[n-]n2)c1NCc1cccc2c1OCCCO2 ZINC000822585712 607306044 /nfs/dbraw/zinc/30/60/44/607306044.db2.gz LRRMAZZMBDIHOO-UHFFFAOYSA-N -1 3 357.801 3.294 20 0 FGADHM Cc1cnn(-c2ccc(NCc3cc(-c4nnn[n-]4)cs3)cc2F)c1 ZINC000822403219 607318096 /nfs/dbraw/zinc/31/80/96/607318096.db2.gz MAVRDEYKLKHQSS-UHFFFAOYSA-N -1 3 355.402 3.174 20 0 FGADHM Cc1cnn(-c2ccc(NCc3cc(-c4nn[n-]n4)cs3)cc2F)c1 ZINC000822403219 607318097 /nfs/dbraw/zinc/31/80/97/607318097.db2.gz MAVRDEYKLKHQSS-UHFFFAOYSA-N -1 3 355.402 3.174 20 0 FGADHM CCc1ccc([C@@H]2CCCN2C(=O)Nc2cccc(-c3nnn[n-]3)c2)o1 ZINC000736686586 599276053 /nfs/dbraw/zinc/27/60/53/599276053.db2.gz PHHSVTNDICDXAI-HNNXBMFYSA-N -1 3 352.398 3.391 20 0 FGADHM CCc1ccc([C@@H]2CCCN2C(=O)Nc2cccc(-c3nn[n-]n3)c2)o1 ZINC000736686586 599276058 /nfs/dbraw/zinc/27/60/58/599276058.db2.gz PHHSVTNDICDXAI-HNNXBMFYSA-N -1 3 352.398 3.391 20 0 FGADHM CCSCc1cccc(NC(=O)NCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821461519 599283599 /nfs/dbraw/zinc/28/35/99/599283599.db2.gz PZJKBLHFFHEERP-UHFFFAOYSA-N -1 3 368.466 3.442 20 0 FGADHM CCSCc1cccc(NC(=O)NCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821461519 599283601 /nfs/dbraw/zinc/28/36/01/599283601.db2.gz PZJKBLHFFHEERP-UHFFFAOYSA-N -1 3 368.466 3.442 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)N1CCCCCC1 ZINC000823303061 599287207 /nfs/dbraw/zinc/28/72/07/599287207.db2.gz CWNIQTYQJGZHOH-UHFFFAOYSA-N -1 3 354.336 3.293 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)N1CCCCCC1 ZINC000823303061 599287209 /nfs/dbraw/zinc/28/72/09/599287209.db2.gz CWNIQTYQJGZHOH-UHFFFAOYSA-N -1 3 354.336 3.293 20 0 FGADHM Cc1ccc(-n2nnnc2S[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737306765 599288314 /nfs/dbraw/zinc/28/83/14/599288314.db2.gz SERMSAAAESGMIQ-LBPRGKRZSA-N -1 3 364.438 3.004 20 0 FGADHM Cc1ccc(-n2nnnc2S[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737306765 599288316 /nfs/dbraw/zinc/28/83/16/599288316.db2.gz SERMSAAAESGMIQ-LBPRGKRZSA-N -1 3 364.438 3.004 20 0 FGADHM Cc1nc2nc(S[C@H](C)c3ccc(-c4nnn[n-]4)cc3)nn2c(C)c1C ZINC000737488699 599290174 /nfs/dbraw/zinc/29/01/74/599290174.db2.gz BGZXMULGFCIPDO-GFCCVEGCSA-N -1 3 366.454 3.083 20 0 FGADHM Cc1nc2nc(S[C@H](C)c3ccc(-c4nn[n-]n4)cc3)nn2c(C)c1C ZINC000737488699 599290176 /nfs/dbraw/zinc/29/01/76/599290176.db2.gz BGZXMULGFCIPDO-GFCCVEGCSA-N -1 3 366.454 3.083 20 0 FGADHM CCCCOCC(=O)N(Cc1ccccc1)c1ccccc1-c1nnn[n-]1 ZINC000736459572 599291019 /nfs/dbraw/zinc/29/10/19/599291019.db2.gz FMBMPQSIYYYQFS-UHFFFAOYSA-N -1 3 365.437 3.217 20 0 FGADHM CCCCOCC(=O)N(Cc1ccccc1)c1ccccc1-c1nn[n-]n1 ZINC000736459572 599291020 /nfs/dbraw/zinc/29/10/20/599291020.db2.gz FMBMPQSIYYYQFS-UHFFFAOYSA-N -1 3 365.437 3.217 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@H]1CSc2ccccc21 ZINC000736627115 599292379 /nfs/dbraw/zinc/29/23/79/599292379.db2.gz LJNAONWAXDBNGB-ZDUSSCGKSA-N -1 3 368.418 3.060 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@H]1CSc2ccccc21 ZINC000736627115 599292380 /nfs/dbraw/zinc/29/23/80/599292380.db2.gz LJNAONWAXDBNGB-ZDUSSCGKSA-N -1 3 368.418 3.060 20 0 FGADHM COc1ccc([C@H](C)NCc2cccc(C(=O)[O-])c2)cc1Cn1cccn1 ZINC000820819928 598192590 /nfs/dbraw/zinc/19/25/90/598192590.db2.gz JQNIPTMVDSLMQR-HNNXBMFYSA-N -1 3 365.433 3.489 20 0 FGADHM CC[C@@H](OC)C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736380946 598231593 /nfs/dbraw/zinc/23/15/93/598231593.db2.gz GJQVUHDFDGBDIN-MRXNPFEDSA-N -1 3 353.382 3.023 20 0 FGADHM CC[C@@H](OC)C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736380946 598231595 /nfs/dbraw/zinc/23/15/95/598231595.db2.gz GJQVUHDFDGBDIN-MRXNPFEDSA-N -1 3 353.382 3.023 20 0 FGADHM COc1cccc(C[C@H]2CCCN2c2cccc(F)c2-c2nnn[n-]2)c1 ZINC000737128722 598240697 /nfs/dbraw/zinc/24/06/97/598240697.db2.gz GMNSQBYXJCBROI-CQSZACIVSA-N -1 3 353.401 3.226 20 0 FGADHM COc1cccc(C[C@H]2CCCN2c2cccc(F)c2-c2nn[n-]n2)c1 ZINC000737128722 598240699 /nfs/dbraw/zinc/24/06/99/598240699.db2.gz GMNSQBYXJCBROI-CQSZACIVSA-N -1 3 353.401 3.226 20 0 FGADHM C[C@H](Nc1ccc(-c2nn[n-]n2)cc1F)c1cccc(N2CCOC2=O)c1 ZINC000736139237 598241635 /nfs/dbraw/zinc/24/16/35/598241635.db2.gz PPNZOJASOXPTLG-NSHDSACASA-N -1 3 368.372 3.136 20 0 FGADHM Cc1cccc(C)c1OCCC(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000737388884 598280794 /nfs/dbraw/zinc/28/07/94/598280794.db2.gz GRMHYDUOSGIBPL-UHFFFAOYSA-N -1 3 369.400 3.055 20 0 FGADHM Cc1cccc(C)c1OCCC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000737388884 598280795 /nfs/dbraw/zinc/28/07/95/598280795.db2.gz GRMHYDUOSGIBPL-UHFFFAOYSA-N -1 3 369.400 3.055 20 0 FGADHM Cc1cccc(OCCC(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)c1C ZINC000737401022 598281077 /nfs/dbraw/zinc/28/10/77/598281077.db2.gz IVMNILHJTVDISS-UHFFFAOYSA-N -1 3 369.400 3.055 20 0 FGADHM Cc1cccc(OCCC(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)c1C ZINC000737401022 598281078 /nfs/dbraw/zinc/28/10/78/598281078.db2.gz IVMNILHJTVDISS-UHFFFAOYSA-N -1 3 369.400 3.055 20 0 FGADHM CN(C(=O)c1ccc2c(c1)CCCC2)c1ccc(-c2nnn[n-]2)cc1F ZINC000736741156 598282033 /nfs/dbraw/zinc/28/20/33/598282033.db2.gz BIPBKBZDOZTDMU-UHFFFAOYSA-N -1 3 351.385 3.161 20 0 FGADHM CN(C(=O)c1ccc2c(c1)CCCC2)c1ccc(-c2nn[n-]n2)cc1F ZINC000736741156 598282034 /nfs/dbraw/zinc/28/20/34/598282034.db2.gz BIPBKBZDOZTDMU-UHFFFAOYSA-N -1 3 351.385 3.161 20 0 FGADHM O[C@H](CNc1ccc(C(F)(F)F)c(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC000823690840 607347294 /nfs/dbraw/zinc/34/72/94/607347294.db2.gz VXRYGDZDAIGAHN-CQSZACIVSA-N -1 3 367.306 3.170 20 0 FGADHM O[C@H](CNc1ccc(C(F)(F)F)c(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC000823690840 607347296 /nfs/dbraw/zinc/34/72/96/607347296.db2.gz VXRYGDZDAIGAHN-CQSZACIVSA-N -1 3 367.306 3.170 20 0 FGADHM COc1ccc(C2(C(=O)OCc3ccccc3-c3nnn[n-]3)CCC2)cc1 ZINC000737078172 598289404 /nfs/dbraw/zinc/28/94/04/598289404.db2.gz VKYVUWYMBDFNFT-UHFFFAOYSA-N -1 3 364.405 3.040 20 0 FGADHM COc1ccc(C2(C(=O)OCc3ccccc3-c3nn[n-]n3)CCC2)cc1 ZINC000737078172 598289406 /nfs/dbraw/zinc/28/94/06/598289406.db2.gz VKYVUWYMBDFNFT-UHFFFAOYSA-N -1 3 364.405 3.040 20 0 FGADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1cccc(C(F)F)c1 ZINC000736817504 598292574 /nfs/dbraw/zinc/29/25/74/598292574.db2.gz BIOCRHUXBYGOAL-UHFFFAOYSA-N -1 3 358.352 3.468 20 0 FGADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cccc(C(F)F)c1 ZINC000736817504 598292575 /nfs/dbraw/zinc/29/25/75/598292575.db2.gz BIOCRHUXBYGOAL-UHFFFAOYSA-N -1 3 358.352 3.468 20 0 FGADHM O=C(Nc1ccc(-n2ccnc2)c(Cl)c1)c1sccc1-c1nnn[n-]1 ZINC000738149867 598296141 /nfs/dbraw/zinc/29/61/41/598296141.db2.gz ISDLJCNCIPCMHP-UHFFFAOYSA-N -1 3 371.813 3.020 20 0 FGADHM O=C(Nc1ccc(-n2ccnc2)c(Cl)c1)c1sccc1-c1nn[n-]n1 ZINC000738149867 598296142 /nfs/dbraw/zinc/29/61/42/598296142.db2.gz ISDLJCNCIPCMHP-UHFFFAOYSA-N -1 3 371.813 3.020 20 0 FGADHM CC(C)(C)OCc1cccc(CNC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000735639627 598296620 /nfs/dbraw/zinc/29/66/20/598296620.db2.gz KJHDYJVFZXHNRQ-UHFFFAOYSA-N -1 3 365.437 3.112 20 0 FGADHM CC(C)(C)OCc1cccc(CNC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000735639627 598296621 /nfs/dbraw/zinc/29/66/21/598296621.db2.gz KJHDYJVFZXHNRQ-UHFFFAOYSA-N -1 3 365.437 3.112 20 0 FGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)c1cc2cc(Cl)ccc2o1 ZINC000738102030 598303751 /nfs/dbraw/zinc/30/37/51/598303751.db2.gz LKOZLITVCFDONT-UHFFFAOYSA-N -1 3 371.759 3.335 20 0 FGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)c1cc2cc(Cl)ccc2o1 ZINC000738102030 598303753 /nfs/dbraw/zinc/30/37/53/598303753.db2.gz LKOZLITVCFDONT-UHFFFAOYSA-N -1 3 371.759 3.335 20 0 FGADHM Cc1ccccc1OCCCC(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000737436859 598310499 /nfs/dbraw/zinc/31/04/99/598310499.db2.gz SRFGYQSPNHBSAC-UHFFFAOYSA-N -1 3 369.400 3.136 20 0 FGADHM Cc1ccccc1OCCCC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000737436859 598310501 /nfs/dbraw/zinc/31/05/01/598310501.db2.gz SRFGYQSPNHBSAC-UHFFFAOYSA-N -1 3 369.400 3.136 20 0 FGADHM Cc1cc([C@H](C)NC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)c(C)s1 ZINC000737245808 598317734 /nfs/dbraw/zinc/31/77/34/598317734.db2.gz POULMYXMJVRURF-JTQLQIEISA-N -1 3 374.445 3.245 20 0 FGADHM Cc1cc([C@H](C)NC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)c(C)s1 ZINC000737245808 598317736 /nfs/dbraw/zinc/31/77/36/598317736.db2.gz POULMYXMJVRURF-JTQLQIEISA-N -1 3 374.445 3.245 20 0 FGADHM COCc1ccccc1NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737021994 598320594 /nfs/dbraw/zinc/32/05/94/598320594.db2.gz HDYQNYNRPMNPCO-UHFFFAOYSA-N -1 3 374.857 3.475 20 0 FGADHM COCc1ccccc1NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737021994 598320596 /nfs/dbraw/zinc/32/05/96/598320596.db2.gz HDYQNYNRPMNPCO-UHFFFAOYSA-N -1 3 374.857 3.475 20 0 FGADHM COc1ccc(NC(=S)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1F ZINC000737102753 598322707 /nfs/dbraw/zinc/32/27/07/598322707.db2.gz CKZWYGMBBWLFLK-JTQLQIEISA-N -1 3 372.429 3.062 20 0 FGADHM COc1ccc(NC(=S)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000737102753 598322709 /nfs/dbraw/zinc/32/27/09/598322709.db2.gz CKZWYGMBBWLFLK-JTQLQIEISA-N -1 3 372.429 3.062 20 0 FGADHM C[C@@H](c1ccccc1F)N(C)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000736202634 598327404 /nfs/dbraw/zinc/32/74/04/598327404.db2.gz KJPBKSHXVPLPTM-NSHDSACASA-N -1 3 372.379 3.048 20 0 FGADHM C[C@@H](c1ccccc1F)N(C)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000736202634 598327406 /nfs/dbraw/zinc/32/74/06/598327406.db2.gz KJPBKSHXVPLPTM-NSHDSACASA-N -1 3 372.379 3.048 20 0 FGADHM C[C@@H](NC(=O)Nc1cccc(-c2cc[nH]n2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736115367 598332385 /nfs/dbraw/zinc/33/23/85/598332385.db2.gz HKOXFGHNTPZXTN-GFCCVEGCSA-N -1 3 374.408 3.140 20 0 FGADHM C[C@@H](NC(=O)Nc1cccc(-c2cc[nH]n2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736115367 598332388 /nfs/dbraw/zinc/33/23/88/598332388.db2.gz HKOXFGHNTPZXTN-GFCCVEGCSA-N -1 3 374.408 3.140 20 0 FGADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1F)[C@@H]1CCCc2sccc21 ZINC000823418851 607353583 /nfs/dbraw/zinc/35/35/83/607353583.db2.gz XTDFZLJIIIJJJF-CYBMUJFWSA-N -1 3 358.398 3.231 20 0 FGADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1F)[C@@H]1CCCc2sccc21 ZINC000823418851 607353585 /nfs/dbraw/zinc/35/35/85/607353585.db2.gz XTDFZLJIIIJJJF-CYBMUJFWSA-N -1 3 358.398 3.231 20 0 FGADHM CC(C)c1nc(C(=O)OCCCOc2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000735938960 598360052 /nfs/dbraw/zinc/36/00/52/598360052.db2.gz FKHBHKOEGVQLCM-UHFFFAOYSA-N -1 3 373.438 3.073 20 0 FGADHM COC(=O)c1sc2ccccc2c1COc1cccc(-c2nnn[n-]2)c1 ZINC000736957312 598363270 /nfs/dbraw/zinc/36/32/70/598363270.db2.gz PMXDVALZSUTCTQ-UHFFFAOYSA-N -1 3 366.402 3.447 20 0 FGADHM COC(=O)c1sc2ccccc2c1COc1cccc(-c2nn[n-]n2)c1 ZINC000736957312 598363272 /nfs/dbraw/zinc/36/32/72/598363272.db2.gz PMXDVALZSUTCTQ-UHFFFAOYSA-N -1 3 366.402 3.447 20 0 FGADHM COc1ccc(C(C)(C)CNc2ccc(-c3nn[n-]n3)cc2F)cc1OC ZINC000737073420 598363429 /nfs/dbraw/zinc/36/34/29/598363429.db2.gz QKIZOINWLWGOSZ-UHFFFAOYSA-N -1 3 371.416 3.413 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc2[nH]c(C(F)F)nc2c1 ZINC000738168218 598376127 /nfs/dbraw/zinc/37/61/27/598376127.db2.gz WDEIUBLPHZNHDB-UHFFFAOYSA-N -1 3 373.298 3.072 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc2[nH]c(C(F)F)nc2c1 ZINC000738168218 598376129 /nfs/dbraw/zinc/37/61/29/598376129.db2.gz WDEIUBLPHZNHDB-UHFFFAOYSA-N -1 3 373.298 3.072 20 0 FGADHM CC(C)[C@H](C)N(CC(F)(F)F)C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000735703991 598378865 /nfs/dbraw/zinc/37/88/65/598378865.db2.gz YOYHXQSDYDWRDW-BCPZQOPPSA-N -1 3 367.375 3.315 20 0 FGADHM CC(C)[C@H](C)N(CC(F)(F)F)C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000735703991 598378867 /nfs/dbraw/zinc/37/88/67/598378867.db2.gz YOYHXQSDYDWRDW-BCPZQOPPSA-N -1 3 367.375 3.315 20 0 FGADHM CC(C)OCc1ccccc1CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC000735902924 598387461 /nfs/dbraw/zinc/38/74/61/598387461.db2.gz ALCSRLSHKNGGCB-UHFFFAOYSA-N -1 3 358.833 3.452 20 0 FGADHM CC(C)OCc1ccccc1CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC000735902924 598387464 /nfs/dbraw/zinc/38/74/64/598387464.db2.gz ALCSRLSHKNGGCB-UHFFFAOYSA-N -1 3 358.833 3.452 20 0 FGADHM Fc1ccc2c(c1)[C@H](Nc1ncc(-c3nnn[n-]3)cc1Cl)CCCO2 ZINC000737664000 598391139 /nfs/dbraw/zinc/39/11/39/598391139.db2.gz AOSWGFDSKQEFCC-CYBMUJFWSA-N -1 3 360.780 3.380 20 0 FGADHM Fc1ccc2c(c1)[C@H](Nc1ncc(-c3nn[n-]n3)cc1Cl)CCCO2 ZINC000737664000 598391141 /nfs/dbraw/zinc/39/11/41/598391141.db2.gz AOSWGFDSKQEFCC-CYBMUJFWSA-N -1 3 360.780 3.380 20 0 FGADHM COc1ccc2c(c1)CCC[C@@H]2Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC000737115780 598392619 /nfs/dbraw/zinc/39/26/19/598392619.db2.gz RIDLLQBOKMSPLI-HNNXBMFYSA-N -1 3 356.817 3.413 20 0 FGADHM COc1ccc2c(c1)CCC[C@@H]2Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC000737115780 598392620 /nfs/dbraw/zinc/39/26/20/598392620.db2.gz RIDLLQBOKMSPLI-HNNXBMFYSA-N -1 3 356.817 3.413 20 0 FGADHM Clc1cc(-c2nnn[n-]2)cnc1NCc1ccccc1Br ZINC000737558528 598392755 /nfs/dbraw/zinc/39/27/55/598392755.db2.gz MVNHWUYEXCEMDV-UHFFFAOYSA-N -1 3 365.622 3.290 20 0 FGADHM Clc1cc(-c2nn[n-]n2)cnc1NCc1ccccc1Br ZINC000737558528 598392756 /nfs/dbraw/zinc/39/27/56/598392756.db2.gz MVNHWUYEXCEMDV-UHFFFAOYSA-N -1 3 365.622 3.290 20 0 FGADHM COc1ccc(NC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)c(C)c1 ZINC000737102432 598418756 /nfs/dbraw/zinc/41/87/56/598418756.db2.gz MWHZQOXDLBDZGJ-UHFFFAOYSA-N -1 3 369.450 3.056 20 0 FGADHM COc1ccc(NC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)c(C)c1 ZINC000737102432 598418757 /nfs/dbraw/zinc/41/87/57/598418757.db2.gz MWHZQOXDLBDZGJ-UHFFFAOYSA-N -1 3 369.450 3.056 20 0 FGADHM Cc1cc(C)cc([C@@H](C)NC(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)c1 ZINC000737252846 598423273 /nfs/dbraw/zinc/42/32/73/598423273.db2.gz MOXUSMPPHFXJCH-CABCVRRESA-N -1 3 365.437 3.128 20 0 FGADHM Cc1cc(C)cc([C@@H](C)NC(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)c1 ZINC000737252846 598423275 /nfs/dbraw/zinc/42/32/75/598423275.db2.gz MOXUSMPPHFXJCH-CABCVRRESA-N -1 3 365.437 3.128 20 0 FGADHM Cc1cnccc1NC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737441791 598426404 /nfs/dbraw/zinc/42/64/04/598426404.db2.gz BUBPYTJVVHRUJI-UHFFFAOYSA-N -1 3 372.388 3.037 20 0 FGADHM CN(Cc1ccc(F)cc1Cl)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000736819822 598428445 /nfs/dbraw/zinc/42/84/45/598428445.db2.gz PNLGDIDKUNQTMH-UHFFFAOYSA-N -1 3 360.780 3.323 20 0 FGADHM CN(Cc1ccc(F)cc1Cl)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000736819822 598428447 /nfs/dbraw/zinc/42/84/47/598428447.db2.gz PNLGDIDKUNQTMH-UHFFFAOYSA-N -1 3 360.780 3.323 20 0 FGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000736267718 598428690 /nfs/dbraw/zinc/42/86/90/598428690.db2.gz CFUIHTKJQLYRDG-YOEHRIQHSA-N -1 3 356.474 3.365 20 0 FGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000736267718 598428692 /nfs/dbraw/zinc/42/86/92/598428692.db2.gz CFUIHTKJQLYRDG-YOEHRIQHSA-N -1 3 356.474 3.365 20 0 FGADHM O=C(Nc1ccc2oc3ccccc3c2c1)c1ccc(-c2nnn[n-]2)cn1 ZINC000738177653 598436053 /nfs/dbraw/zinc/43/60/53/598436053.db2.gz LGWNTSWTGCMVSD-UHFFFAOYSA-N -1 3 356.345 3.413 20 0 FGADHM O=C(Nc1ccc2oc3ccccc3c2c1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738177653 598436054 /nfs/dbraw/zinc/43/60/54/598436054.db2.gz LGWNTSWTGCMVSD-UHFFFAOYSA-N -1 3 356.345 3.413 20 0 FGADHM CCCCCN(Cc1ccc(F)cc1)C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000736450889 598438102 /nfs/dbraw/zinc/43/81/02/598438102.db2.gz HEEXEHSPUKJLLQ-UHFFFAOYSA-N -1 3 368.416 3.233 20 0 FGADHM CCCCCN(Cc1ccc(F)cc1)C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000736450889 598438104 /nfs/dbraw/zinc/43/81/04/598438104.db2.gz HEEXEHSPUKJLLQ-UHFFFAOYSA-N -1 3 368.416 3.233 20 0 FGADHM CC(C)(C)c1cc(NC(=O)c2ccc(-c3nnn[n-]3)cc2)n(C(C)(C)C)n1 ZINC000735648069 598453302 /nfs/dbraw/zinc/45/33/02/598453302.db2.gz LLGDLLPRDVRHHK-UHFFFAOYSA-N -1 3 367.457 3.368 20 0 FGADHM CC(C)(C)c1cc(NC(=O)c2ccc(-c3nn[n-]n3)cc2)n(C(C)(C)C)n1 ZINC000735648069 598453304 /nfs/dbraw/zinc/45/33/04/598453304.db2.gz LLGDLLPRDVRHHK-UHFFFAOYSA-N -1 3 367.457 3.368 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NCc1cccc(-c2ccccn2)c1 ZINC000826249076 607357695 /nfs/dbraw/zinc/35/76/95/607357695.db2.gz KTIIDCYKBHPDDL-UHFFFAOYSA-N -1 3 370.416 3.167 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NCc1cccc(-c2ccccn2)c1 ZINC000826249076 607357697 /nfs/dbraw/zinc/35/76/97/607357697.db2.gz KTIIDCYKBHPDDL-UHFFFAOYSA-N -1 3 370.416 3.167 20 0 FGADHM O=C(Nc1c(F)cccc1F)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000738139755 598475647 /nfs/dbraw/zinc/47/56/47/598475647.db2.gz OUGKUMMBFICDJF-UHFFFAOYSA-N -1 3 370.363 3.341 20 0 FGADHM O=C(Nc1c(F)cccc1F)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000738139755 598475648 /nfs/dbraw/zinc/47/56/48/598475648.db2.gz OUGKUMMBFICDJF-UHFFFAOYSA-N -1 3 370.363 3.341 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N(C)C[C@@H](C)c1ccccc1 ZINC000737056916 598476336 /nfs/dbraw/zinc/47/63/36/598476336.db2.gz DOLXDYJXVHQWOI-CYBMUJFWSA-N -1 3 366.425 3.143 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N(C)C[C@@H](C)c1ccccc1 ZINC000737056916 598476338 /nfs/dbraw/zinc/47/63/38/598476338.db2.gz DOLXDYJXVHQWOI-CYBMUJFWSA-N -1 3 366.425 3.143 20 0 FGADHM O=C(N[C@H]1C[C@@H]1c1ccccc1)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000738019709 598480435 /nfs/dbraw/zinc/48/04/35/598480435.db2.gz LNZPUMBBIRXWGE-MOPGFXCFSA-N -1 3 374.448 3.097 20 0 FGADHM O=C(N[C@H]1C[C@@H]1c1ccccc1)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000738019709 598480436 /nfs/dbraw/zinc/48/04/36/598480436.db2.gz LNZPUMBBIRXWGE-MOPGFXCFSA-N -1 3 374.448 3.097 20 0 FGADHM C[C@@H](OC(=O)Cc1csc(C(C)(C)C)n1)c1cccc(-c2nnn[n-]2)c1 ZINC000736160543 598482898 /nfs/dbraw/zinc/48/28/98/598482898.db2.gz RVHCKQMRFDEAGR-LLVKDONJSA-N -1 3 371.466 3.468 20 0 FGADHM C[C@@H](OC(=O)Cc1csc(C(C)(C)C)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000736160543 598482899 /nfs/dbraw/zinc/48/28/99/598482899.db2.gz RVHCKQMRFDEAGR-LLVKDONJSA-N -1 3 371.466 3.468 20 0 FGADHM COc1cccc([C@H](C)C(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000737122531 598483444 /nfs/dbraw/zinc/48/34/44/598483444.db2.gz UNRGIVRMSCXYPU-QWHCGFSZSA-N -1 3 352.394 3.283 20 0 FGADHM COc1cccc([C@H](C)C(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737122531 598483446 /nfs/dbraw/zinc/48/34/46/598483446.db2.gz UNRGIVRMSCXYPU-QWHCGFSZSA-N -1 3 352.394 3.283 20 0 FGADHM CC[C@](C)(NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000736312228 598483641 /nfs/dbraw/zinc/48/36/41/598483641.db2.gz AQOWBDNFTDDJCQ-SFHVURJKSA-N -1 3 354.389 3.453 20 0 FGADHM CC[C@](C)(NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000736312228 598483643 /nfs/dbraw/zinc/48/36/43/598483643.db2.gz AQOWBDNFTDDJCQ-SFHVURJKSA-N -1 3 354.389 3.453 20 0 FGADHM Cc1nc([C@@H](C)NC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cs1 ZINC000737470746 598484485 /nfs/dbraw/zinc/48/44/85/598484485.db2.gz LRYSCOXWOYSTHE-SSDOTTSWSA-N -1 3 363.834 3.168 20 0 FGADHM Cc1nc([C@@H](C)NC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cs1 ZINC000737470746 598484486 /nfs/dbraw/zinc/48/44/86/598484486.db2.gz LRYSCOXWOYSTHE-SSDOTTSWSA-N -1 3 363.834 3.168 20 0 FGADHM CCC(=O)Nc1cccc(C(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000736309283 598486468 /nfs/dbraw/zinc/48/64/68/598486468.db2.gz MZEKMBQUJKLJRU-GFCCVEGCSA-N -1 3 365.393 3.133 20 0 FGADHM CCC(=O)Nc1cccc(C(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000736309283 598486469 /nfs/dbraw/zinc/48/64/69/598486469.db2.gz MZEKMBQUJKLJRU-GFCCVEGCSA-N -1 3 365.393 3.133 20 0 FGADHM CCc1ccc(OCC(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)cc1 ZINC000736690286 598487201 /nfs/dbraw/zinc/48/72/01/598487201.db2.gz IJXLNDXWTWWFOQ-UHFFFAOYSA-N -1 3 368.441 3.003 20 0 FGADHM CCc1ccc(OCC(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)cc1 ZINC000736690286 598487203 /nfs/dbraw/zinc/48/72/03/598487203.db2.gz IJXLNDXWTWWFOQ-UHFFFAOYSA-N -1 3 368.441 3.003 20 0 FGADHM C[C@@H](OC(=O)[C@@H]1Cc2cc(Cl)ccc2O1)c1cccc(-c2nnn[n-]2)c1 ZINC000736153129 598489078 /nfs/dbraw/zinc/48/90/78/598489078.db2.gz QBBQYHCLTOTXQY-HWPZZCPQSA-N -1 3 370.796 3.128 20 0 FGADHM C[C@@H](OC(=O)[C@@H]1Cc2cc(Cl)ccc2O1)c1cccc(-c2nn[n-]n2)c1 ZINC000736153129 598489080 /nfs/dbraw/zinc/48/90/80/598489080.db2.gz QBBQYHCLTOTXQY-HWPZZCPQSA-N -1 3 370.796 3.128 20 0 FGADHM CCSc1cc(C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)ccn1 ZINC000736667527 598490001 /nfs/dbraw/zinc/49/00/01/598490001.db2.gz SGGZCBMCPHIKRT-UHFFFAOYSA-N -1 3 371.470 3.183 20 0 FGADHM CCSc1cc(C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)ccn1 ZINC000736667527 598490002 /nfs/dbraw/zinc/49/00/02/598490002.db2.gz SGGZCBMCPHIKRT-UHFFFAOYSA-N -1 3 371.470 3.183 20 0 FGADHM Cc1cccc(OCCC(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)c1 ZINC000737401616 598490478 /nfs/dbraw/zinc/49/04/78/598490478.db2.gz NGBWKCHLJBSXTR-UHFFFAOYSA-N -1 3 368.441 3.139 20 0 FGADHM Cc1cccc(OCCC(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)c1 ZINC000737401616 598490479 /nfs/dbraw/zinc/49/04/79/598490479.db2.gz NGBWKCHLJBSXTR-UHFFFAOYSA-N -1 3 368.441 3.139 20 0 FGADHM CCc1c(C)sc(NC(=O)[C@@H]2Cc3ccccc3S2)c1-c1nnn[n-]1 ZINC000736669803 598517127 /nfs/dbraw/zinc/51/71/27/598517127.db2.gz LGXWPIWJPZXDHP-ZDUSSCGKSA-N -1 3 371.491 3.455 20 0 FGADHM CCc1c(C)sc(NC(=O)[C@@H]2Cc3ccccc3S2)c1-c1nn[n-]n1 ZINC000736669803 598517128 /nfs/dbraw/zinc/51/71/28/598517128.db2.gz LGXWPIWJPZXDHP-ZDUSSCGKSA-N -1 3 371.491 3.455 20 0 FGADHM O=C(OCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)[C@@H]1CCCOC1 ZINC000738235830 598533575 /nfs/dbraw/zinc/53/35/75/598533575.db2.gz AVFKJUYWLJUYCU-MRXNPFEDSA-N -1 3 364.405 3.004 20 0 FGADHM O=C(OCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)[C@@H]1CCCOC1 ZINC000738235830 598533576 /nfs/dbraw/zinc/53/35/76/598533576.db2.gz AVFKJUYWLJUYCU-MRXNPFEDSA-N -1 3 364.405 3.004 20 0 FGADHM FC(F)c1nc2ccccc2c(NCc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000737637746 598536661 /nfs/dbraw/zinc/53/66/61/598536661.db2.gz CQEJWTOXOPKMRL-UHFFFAOYSA-N -1 3 353.336 3.360 20 0 FGADHM FC(F)c1nc2ccccc2c(NCc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737637746 598536663 /nfs/dbraw/zinc/53/66/63/598536663.db2.gz CQEJWTOXOPKMRL-UHFFFAOYSA-N -1 3 353.336 3.360 20 0 FGADHM COc1cc(COc2ccc(-c3nnn[n-]3)c(F)c2)ccc1OC(F)F ZINC000737047980 598550290 /nfs/dbraw/zinc/55/02/90/598550290.db2.gz VQAVYMOYWJRUBK-UHFFFAOYSA-N -1 3 366.299 3.195 20 0 FGADHM COc1cc(COc2ccc(-c3nn[n-]n3)c(F)c2)ccc1OC(F)F ZINC000737047980 598550292 /nfs/dbraw/zinc/55/02/92/598550292.db2.gz VQAVYMOYWJRUBK-UHFFFAOYSA-N -1 3 366.299 3.195 20 0 FGADHM Fc1cc(OCc2ccc(OC(F)(F)F)cc2)ccc1-c1nnn[n-]1 ZINC000737649044 598550490 /nfs/dbraw/zinc/55/04/90/598550490.db2.gz DAEGHPICUFLIAI-UHFFFAOYSA-N -1 3 354.263 3.483 20 0 FGADHM Fc1cc(OCc2ccc(OC(F)(F)F)cc2)ccc1-c1nn[n-]n1 ZINC000737649044 598550491 /nfs/dbraw/zinc/55/04/91/598550491.db2.gz DAEGHPICUFLIAI-UHFFFAOYSA-N -1 3 354.263 3.483 20 0 FGADHM O=C(Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)c1ccc(=O)[nH]c1 ZINC000738173458 598556211 /nfs/dbraw/zinc/55/62/11/598556211.db2.gz QWBVOZOWKMEQRI-UHFFFAOYSA-N -1 3 374.360 3.012 20 0 FGADHM O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)c1ccc(=O)[nH]c1 ZINC000738173458 598556212 /nfs/dbraw/zinc/55/62/12/598556212.db2.gz QWBVOZOWKMEQRI-UHFFFAOYSA-N -1 3 374.360 3.012 20 0 FGADHM CC(C)CCCNC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000735796941 598557952 /nfs/dbraw/zinc/55/79/52/598557952.db2.gz KGIFWVTXGJJZFE-UHFFFAOYSA-N -1 3 354.361 3.026 20 0 FGADHM CC(C)CCCNC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000735796941 598557953 /nfs/dbraw/zinc/55/79/53/598557953.db2.gz KGIFWVTXGJJZFE-UHFFFAOYSA-N -1 3 354.361 3.026 20 0 FGADHM Cc1cc(OCc2cccc(-c3nnn[n-]3)c2)ccc1NC(=O)NC(C)C ZINC000737280319 598559447 /nfs/dbraw/zinc/55/94/47/598559447.db2.gz PZIBEOOSOZIMIK-UHFFFAOYSA-N -1 3 366.425 3.284 20 0 FGADHM Cc1cc(OCc2cccc(-c3nn[n-]n3)c2)ccc1NC(=O)NC(C)C ZINC000737280319 598559449 /nfs/dbraw/zinc/55/94/49/598559449.db2.gz PZIBEOOSOZIMIK-UHFFFAOYSA-N -1 3 366.425 3.284 20 0 FGADHM CC(C)COc1ccccc1C(=O)OCc1ccccc1-c1nnn[n-]1 ZINC000735843880 598563453 /nfs/dbraw/zinc/56/34/53/598563453.db2.gz CUBFCLYNICQULW-UHFFFAOYSA-N -1 3 352.394 3.259 20 0 FGADHM CC(C)COc1ccccc1C(=O)OCc1ccccc1-c1nn[n-]n1 ZINC000735843880 598563455 /nfs/dbraw/zinc/56/34/55/598563455.db2.gz CUBFCLYNICQULW-UHFFFAOYSA-N -1 3 352.394 3.259 20 0 FGADHM CCc1ccc(NC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736690241 598570397 /nfs/dbraw/zinc/57/03/97/598570397.db2.gz HXDKXFNLZQDCSZ-GOSISDBHSA-N -1 3 362.437 3.037 20 0 FGADHM FC(F)(F)c1cc(N2CCOc3ccccc3C2)ccc1-c1nnn[n-]1 ZINC000737633988 598576788 /nfs/dbraw/zinc/57/67/88/598576788.db2.gz XDEATWBBXCPKQN-UHFFFAOYSA-N -1 3 361.327 3.285 20 0 FGADHM FC(F)(F)c1cc(N2CCOc3ccccc3C2)ccc1-c1nn[n-]n1 ZINC000737633988 598576790 /nfs/dbraw/zinc/57/67/90/598576790.db2.gz XDEATWBBXCPKQN-UHFFFAOYSA-N -1 3 361.327 3.285 20 0 FGADHM Clc1cccc(Cc2noc(COc3ccccc3-c3nnn[n-]3)n2)c1 ZINC000737573263 598582316 /nfs/dbraw/zinc/58/23/16/598582316.db2.gz DVXSLHPRDGEQER-UHFFFAOYSA-N -1 3 368.784 3.073 20 0 FGADHM Clc1cccc(Cc2noc(COc3ccccc3-c3nn[n-]n3)n2)c1 ZINC000737573263 598582317 /nfs/dbraw/zinc/58/23/17/598582317.db2.gz DVXSLHPRDGEQER-UHFFFAOYSA-N -1 3 368.784 3.073 20 0 FGADHM Cc1ccc(C)c(SCC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000737326234 598587382 /nfs/dbraw/zinc/58/73/82/598587382.db2.gz NNNFMIQJTSQFBQ-UHFFFAOYSA-N -1 3 357.414 3.353 20 0 FGADHM Cc1ccc(C)c(SCC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000737326234 598587384 /nfs/dbraw/zinc/58/73/84/598587384.db2.gz NNNFMIQJTSQFBQ-UHFFFAOYSA-N -1 3 357.414 3.353 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)C1(c2cccc(Cl)c2)CC1 ZINC000738161611 598587999 /nfs/dbraw/zinc/58/79/99/598587999.db2.gz GYRCQLOUTCBBAW-UHFFFAOYSA-N -1 3 357.776 3.330 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)C1(c2cccc(Cl)c2)CC1 ZINC000738161611 598588001 /nfs/dbraw/zinc/58/80/01/598588001.db2.gz GYRCQLOUTCBBAW-UHFFFAOYSA-N -1 3 357.776 3.330 20 0 FGADHM Cc1cc(C)c2cc(C(=O)Nc3ccc(F)c(-c4nnn[n-]4)c3)sc2n1 ZINC000737248694 598589402 /nfs/dbraw/zinc/58/94/02/598589402.db2.gz KNXGKIKMRCQVGH-UHFFFAOYSA-N -1 3 368.397 3.485 20 0 FGADHM Cc1cc(C)c2cc(C(=O)Nc3ccc(F)c(-c4nn[n-]n4)c3)sc2n1 ZINC000737248694 598589404 /nfs/dbraw/zinc/58/94/04/598589404.db2.gz KNXGKIKMRCQVGH-UHFFFAOYSA-N -1 3 368.397 3.485 20 0 FGADHM COc1ccc2oc(C(=O)Nc3ccc(F)c(-c4nnn[n-]4)c3)c(C)c2c1 ZINC000737120739 598590138 /nfs/dbraw/zinc/59/01/38/598590138.db2.gz UACIPDCSCDKXQI-UHFFFAOYSA-N -1 3 367.340 3.321 20 0 FGADHM COc1ccc2oc(C(=O)Nc3ccc(F)c(-c4nn[n-]n4)c3)c(C)c2c1 ZINC000737120739 598590140 /nfs/dbraw/zinc/59/01/40/598590140.db2.gz UACIPDCSCDKXQI-UHFFFAOYSA-N -1 3 367.340 3.321 20 0 FGADHM C[C@H]1CCc2c(C(=O)Nc3ccc(F)c(-c4nnn[n-]4)c3)csc2C1 ZINC000736280877 598590484 /nfs/dbraw/zinc/59/04/84/598590484.db2.gz QVZVCYJWOVWYGT-VIFPVBQESA-N -1 3 357.414 3.444 20 0 FGADHM C[C@H]1CCc2c(C(=O)Nc3ccc(F)c(-c4nn[n-]n4)c3)csc2C1 ZINC000736280877 598590486 /nfs/dbraw/zinc/59/04/86/598590486.db2.gz QVZVCYJWOVWYGT-VIFPVBQESA-N -1 3 357.414 3.444 20 0 FGADHM O=C(COc1ccc2ccccc2c1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737919308 598592528 /nfs/dbraw/zinc/59/25/28/598592528.db2.gz ICKVHIOYRUVFDN-UHFFFAOYSA-N -1 3 363.352 3.177 20 0 FGADHM O=C(COc1ccc2ccccc2c1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737919308 598592531 /nfs/dbraw/zinc/59/25/31/598592531.db2.gz ICKVHIOYRUVFDN-UHFFFAOYSA-N -1 3 363.352 3.177 20 0 FGADHM O=C(Cc1ccc(Cl)c(Cl)c1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737955195 598592880 /nfs/dbraw/zinc/59/28/80/598592880.db2.gz APCHWGYIVHZWGQ-UHFFFAOYSA-N -1 3 366.183 3.494 20 0 FGADHM O=C(Cc1ccc(Cl)c(Cl)c1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737955195 598592881 /nfs/dbraw/zinc/59/28/81/598592881.db2.gz APCHWGYIVHZWGQ-UHFFFAOYSA-N -1 3 366.183 3.494 20 0 FGADHM Cc1nn(C)c(Cl)c1CSCc1cc(-c2nnn[n-]2)ccc1F ZINC000737510928 598596779 /nfs/dbraw/zinc/59/67/79/598596779.db2.gz HBBSHQUQRJDGCP-UHFFFAOYSA-N -1 3 352.826 3.135 20 0 FGADHM Cc1nn(C)c(Cl)c1CSCc1cc(-c2nn[n-]n2)ccc1F ZINC000737510928 598596781 /nfs/dbraw/zinc/59/67/81/598596781.db2.gz HBBSHQUQRJDGCP-UHFFFAOYSA-N -1 3 352.826 3.135 20 0 FGADHM CSCc1cccc(NC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000737186059 598601289 /nfs/dbraw/zinc/60/12/89/598601289.db2.gz FMGDROPBWZJIJH-UHFFFAOYSA-N -1 3 372.429 3.191 20 0 FGADHM CSCc1cccc(NC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000737186059 598601291 /nfs/dbraw/zinc/60/12/91/598601291.db2.gz FMGDROPBWZJIJH-UHFFFAOYSA-N -1 3 372.429 3.191 20 0 FGADHM CCOCCC(=O)OCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000736610119 598621450 /nfs/dbraw/zinc/62/14/50/598621450.db2.gz GQBQXASHIITDPD-UHFFFAOYSA-N -1 3 352.394 3.004 20 0 FGADHM CCOCCC(=O)OCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000736610119 598621452 /nfs/dbraw/zinc/62/14/52/598621452.db2.gz GQBQXASHIITDPD-UHFFFAOYSA-N -1 3 352.394 3.004 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)NC1(c2ccccc2)CCC1 ZINC000738167716 598627152 /nfs/dbraw/zinc/62/71/52/598627152.db2.gz RSUDPKYRTAWLST-UHFFFAOYSA-N -1 3 352.373 3.207 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)NC1(c2ccccc2)CCC1 ZINC000738167716 598627154 /nfs/dbraw/zinc/62/71/54/598627154.db2.gz RSUDPKYRTAWLST-UHFFFAOYSA-N -1 3 352.373 3.207 20 0 FGADHM C[C@H](Cc1ccccc1Cl)NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736058391 598627302 /nfs/dbraw/zinc/62/73/02/598627302.db2.gz MACZJWNRFCSBLY-SNVBAGLBSA-N -1 3 374.807 3.412 20 0 FGADHM C[C@H](Cc1ccccc1Cl)NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736058391 598627304 /nfs/dbraw/zinc/62/73/04/598627304.db2.gz MACZJWNRFCSBLY-SNVBAGLBSA-N -1 3 374.807 3.412 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000738168210 598633181 /nfs/dbraw/zinc/63/31/81/598633181.db2.gz WBKDODUPQQCMME-YNEHKIRRSA-N -1 3 358.421 3.486 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000738168210 598633182 /nfs/dbraw/zinc/63/31/82/598633182.db2.gz WBKDODUPQQCMME-YNEHKIRRSA-N -1 3 358.421 3.486 20 0 FGADHM O[C@H](CNc1c(Cl)cccc1-c1nnn[n-]1)c1ccc(Cl)cc1 ZINC000738381492 598634482 /nfs/dbraw/zinc/63/44/82/598634482.db2.gz HGMLUMMFRAGXOW-CYBMUJFWSA-N -1 3 350.209 3.319 20 0 FGADHM O[C@H](CNc1c(Cl)cccc1-c1nn[n-]n1)c1ccc(Cl)cc1 ZINC000738381492 598634484 /nfs/dbraw/zinc/63/44/84/598634484.db2.gz HGMLUMMFRAGXOW-CYBMUJFWSA-N -1 3 350.209 3.319 20 0 FGADHM CSc1ccc(CNC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000737192746 598634524 /nfs/dbraw/zinc/63/45/24/598634524.db2.gz ZQLIPMIBORBCLR-UHFFFAOYSA-N -1 3 358.402 3.049 20 0 FGADHM CSc1ccc(CNC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000737192746 598634525 /nfs/dbraw/zinc/63/45/25/598634525.db2.gz ZQLIPMIBORBCLR-UHFFFAOYSA-N -1 3 358.402 3.049 20 0 FGADHM COc1cccc(NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737140923 598643805 /nfs/dbraw/zinc/64/38/05/598643805.db2.gz TUVUVXTYANKNLT-UHFFFAOYSA-N -1 3 367.409 3.063 20 0 FGADHM COc1cccc(NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737140923 598643806 /nfs/dbraw/zinc/64/38/06/598643806.db2.gz TUVUVXTYANKNLT-UHFFFAOYSA-N -1 3 367.409 3.063 20 0 FGADHM O=C(Oc1ccccc1)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000738248019 598645380 /nfs/dbraw/zinc/64/53/80/598645380.db2.gz UZPDNYWMLSKMTF-UHFFFAOYSA-N -1 3 359.345 3.273 20 0 FGADHM O=C(Oc1ccccc1)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000738248019 598645382 /nfs/dbraw/zinc/64/53/82/598645382.db2.gz UZPDNYWMLSKMTF-UHFFFAOYSA-N -1 3 359.345 3.273 20 0 FGADHM O=C(CC[C@H]1CCCCO1)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000737827141 598647335 /nfs/dbraw/zinc/64/73/35/598647335.db2.gz XANRLGIMIPUQLU-LLVKDONJSA-N -1 3 361.471 3.095 20 0 FGADHM O=C(CC[C@H]1CCCCO1)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000737827141 598647337 /nfs/dbraw/zinc/64/73/37/598647337.db2.gz XANRLGIMIPUQLU-LLVKDONJSA-N -1 3 361.471 3.095 20 0 FGADHM CC(=CC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1)c1cccc(F)c1 ZINC000735450501 598649403 /nfs/dbraw/zinc/64/94/03/598649403.db2.gz ZFGLAMUGONBKAW-RAXLEYEMSA-N -1 3 351.385 3.068 20 0 FGADHM CC(=CC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1)c1cccc(F)c1 ZINC000735450501 598649404 /nfs/dbraw/zinc/64/94/04/598649404.db2.gz ZFGLAMUGONBKAW-RAXLEYEMSA-N -1 3 351.385 3.068 20 0 FGADHM C[C@@H]1CCC[C@@H](N(C)C(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)C1 ZINC000736250815 598649870 /nfs/dbraw/zinc/64/98/70/598649870.db2.gz MZTWMZLALHMCOU-NVXWUHKLSA-N -1 3 371.485 3.453 20 0 FGADHM C[C@@H]1CCC[C@@H](N(C)C(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)C1 ZINC000736250815 598649872 /nfs/dbraw/zinc/64/98/72/598649872.db2.gz MZTWMZLALHMCOU-NVXWUHKLSA-N -1 3 371.485 3.453 20 0 FGADHM Cc1cccc2c1N(C(=O)CSc1ccc(-c3nnn[n-]3)cc1)CCC2 ZINC000737411273 598650894 /nfs/dbraw/zinc/65/08/94/598650894.db2.gz YTDFSSQXMZFRKV-UHFFFAOYSA-N -1 3 365.462 3.247 20 0 FGADHM Cc1cccc2c1N(C(=O)CSc1ccc(-c3nn[n-]n3)cc1)CCC2 ZINC000737411273 598650896 /nfs/dbraw/zinc/65/08/96/598650896.db2.gz YTDFSSQXMZFRKV-UHFFFAOYSA-N -1 3 365.462 3.247 20 0 FGADHM O=C1CCCN1c1cccc(CNc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000738306137 598651989 /nfs/dbraw/zinc/65/19/89/598651989.db2.gz YSONQKYLEBYENK-UHFFFAOYSA-N -1 3 368.828 3.259 20 0 FGADHM O=C1CCCN1c1cccc(CNc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000738306137 598651991 /nfs/dbraw/zinc/65/19/91/598651991.db2.gz YSONQKYLEBYENK-UHFFFAOYSA-N -1 3 368.828 3.259 20 0 FGADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2cc(F)c(F)c(F)c2)s1 ZINC000736679092 598655038 /nfs/dbraw/zinc/65/50/38/598655038.db2.gz KEVZSBRFMAZRFI-UHFFFAOYSA-N -1 3 353.329 3.160 20 0 FGADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2cc(F)c(F)c(F)c2)s1 ZINC000736679092 598655040 /nfs/dbraw/zinc/65/50/40/598655040.db2.gz KEVZSBRFMAZRFI-UHFFFAOYSA-N -1 3 353.329 3.160 20 0 FGADHM O=C(Nc1sc(-c2ccccc2)cc1-c1nnn[n-]1)c1cscn1 ZINC000738208494 598655997 /nfs/dbraw/zinc/65/59/97/598655997.db2.gz NVTOSAPGUPOZRF-UHFFFAOYSA-N -1 3 354.420 3.304 20 0 FGADHM O=C(Nc1sc(-c2ccccc2)cc1-c1nn[n-]n1)c1cscn1 ZINC000738208494 598655999 /nfs/dbraw/zinc/65/59/99/598655999.db2.gz NVTOSAPGUPOZRF-UHFFFAOYSA-N -1 3 354.420 3.304 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C[C@@H](C)c1ccccc1OC ZINC000737059639 598658393 /nfs/dbraw/zinc/65/83/93/598658393.db2.gz XQUGDGGRKXBZKM-GFCCVEGCSA-N -1 3 367.409 3.016 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C[C@@H](C)c1ccccc1OC ZINC000737059639 598658394 /nfs/dbraw/zinc/65/83/94/598658394.db2.gz XQUGDGGRKXBZKM-GFCCVEGCSA-N -1 3 367.409 3.016 20 0 FGADHM Cc1c2cc(F)ccc2sc1C(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000737215112 598662525 /nfs/dbraw/zinc/66/25/25/598662525.db2.gz XDFFMFVROSJDPF-UHFFFAOYSA-N -1 3 354.370 3.176 20 0 FGADHM Cc1c2cc(F)ccc2sc1C(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000737215112 598662527 /nfs/dbraw/zinc/66/25/27/598662527.db2.gz XDFFMFVROSJDPF-UHFFFAOYSA-N -1 3 354.370 3.176 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cn1)C1(c2cccc(F)c2)CCCCC1 ZINC000738150210 598663341 /nfs/dbraw/zinc/66/33/41/598663341.db2.gz BWOLOXNGOHLJNC-UHFFFAOYSA-N -1 3 366.400 3.241 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cn1)C1(c2cccc(F)c2)CCCCC1 ZINC000738150210 598663342 /nfs/dbraw/zinc/66/33/42/598663342.db2.gz BWOLOXNGOHLJNC-UHFFFAOYSA-N -1 3 366.400 3.241 20 0 FGADHM O=C(Nc1cc(Br)ccc1F)c1sccc1-c1nnn[n-]1 ZINC000738144828 598685806 /nfs/dbraw/zinc/68/58/06/598685806.db2.gz GQORGASWPNMQPA-UHFFFAOYSA-N -1 3 368.191 3.082 20 0 FGADHM O=C(Nc1cc(Br)ccc1F)c1sccc1-c1nn[n-]n1 ZINC000738144828 598685808 /nfs/dbraw/zinc/68/58/08/598685808.db2.gz GQORGASWPNMQPA-UHFFFAOYSA-N -1 3 368.191 3.082 20 0 FGADHM CC[C@H]1c2ccsc2CCN1C(=O)C=Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736413218 598709406 /nfs/dbraw/zinc/70/94/06/598709406.db2.gz WEALAAMWJNTDHO-WHWKNOJMSA-N -1 3 365.462 3.477 20 0 FGADHM CC[C@H]1c2ccsc2CCN1C(=O)C=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736413218 598709408 /nfs/dbraw/zinc/70/94/08/598709408.db2.gz WEALAAMWJNTDHO-WHWKNOJMSA-N -1 3 365.462 3.477 20 0 FGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N1CC[C@H](c2ccco2)C1 ZINC000735659796 598713373 /nfs/dbraw/zinc/71/33/73/598713373.db2.gz FEPAOFUBJMVACJ-LBPRGKRZSA-N -1 3 369.429 3.038 20 0 FGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N1CC[C@H](c2ccco2)C1 ZINC000735659796 598713374 /nfs/dbraw/zinc/71/33/74/598713374.db2.gz FEPAOFUBJMVACJ-LBPRGKRZSA-N -1 3 369.429 3.038 20 0 FGADHM CCc1nc([C@H](C)NC(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000736701094 598715958 /nfs/dbraw/zinc/71/59/58/598715958.db2.gz ZATRRJAORJFQRR-MNOVXSKESA-N -1 3 371.470 3.007 20 0 FGADHM CCc1nc([C@H](C)NC(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000736701094 598715960 /nfs/dbraw/zinc/71/59/60/598715960.db2.gz ZATRRJAORJFQRR-MNOVXSKESA-N -1 3 371.470 3.007 20 0 FGADHM C[C@H](NC(=O)N[C@@H]1c2ccccc2C[C@H]1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736115086 598716165 /nfs/dbraw/zinc/71/61/65/598716165.db2.gz WQMBKXPLLCERHQ-VBHSOAQHSA-N -1 3 362.437 3.160 20 0 FGADHM C[C@H](NC(=O)N[C@@H]1c2ccccc2C[C@H]1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736115086 598716167 /nfs/dbraw/zinc/71/61/67/598716167.db2.gz WQMBKXPLLCERHQ-VBHSOAQHSA-N -1 3 362.437 3.160 20 0 FGADHM c1coc(-c2cc(Cn3ccc(-c4ccc(-c5nnn[n-]5)cc4)n3)no2)c1 ZINC000738447919 598723932 /nfs/dbraw/zinc/72/39/32/598723932.db2.gz LLPGQPUPICOTLQ-UHFFFAOYSA-N -1 3 359.349 3.027 20 0 FGADHM c1coc(-c2cc(Cn3ccc(-c4ccc(-c5nn[n-]n5)cc4)n3)no2)c1 ZINC000738447919 598723934 /nfs/dbraw/zinc/72/39/34/598723934.db2.gz LLPGQPUPICOTLQ-UHFFFAOYSA-N -1 3 359.349 3.027 20 0 FGADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2cnc(-c3ccco3)s2)s1 ZINC000736678724 598736044 /nfs/dbraw/zinc/73/60/44/598736044.db2.gz GGOKLNAKPZKTBG-UHFFFAOYSA-N -1 3 372.435 3.459 20 0 FGADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2cnc(-c3ccco3)s2)s1 ZINC000736678724 598736045 /nfs/dbraw/zinc/73/60/45/598736045.db2.gz GGOKLNAKPZKTBG-UHFFFAOYSA-N -1 3 372.435 3.459 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cc(F)c(Cl)nc1Cl ZINC000737293944 598738022 /nfs/dbraw/zinc/73/80/22/598738022.db2.gz IROSBNOIVMHNLK-UHFFFAOYSA-N -1 3 367.171 3.268 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(F)c(Cl)nc1Cl ZINC000737293944 598738023 /nfs/dbraw/zinc/73/80/23/598738023.db2.gz IROSBNOIVMHNLK-UHFFFAOYSA-N -1 3 367.171 3.268 20 0 FGADHM C[C@H](Cc1ccccc1)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736060152 598741037 /nfs/dbraw/zinc/74/10/37/598741037.db2.gz YYXBYZDLYXMGNF-CYBMUJFWSA-N -1 3 352.442 3.241 20 0 FGADHM C[C@H](Cc1ccccc1)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736060152 598741039 /nfs/dbraw/zinc/74/10/39/598741039.db2.gz YYXBYZDLYXMGNF-CYBMUJFWSA-N -1 3 352.442 3.241 20 0 FGADHM Fc1cc(-c2nnn[n-]2)cc(F)c1NCc1ccccc1N1CCCC1 ZINC000737638488 598744845 /nfs/dbraw/zinc/74/48/45/598744845.db2.gz HKJNHIPRRBSFGF-UHFFFAOYSA-N -1 3 356.380 3.357 20 0 FGADHM Fc1cc(-c2nn[n-]n2)cc(F)c1NCc1ccccc1N1CCCC1 ZINC000737638488 598744847 /nfs/dbraw/zinc/74/48/47/598744847.db2.gz HKJNHIPRRBSFGF-UHFFFAOYSA-N -1 3 356.380 3.357 20 0 FGADHM CCSc1ccc([C@@H](C)NC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736664584 598745392 /nfs/dbraw/zinc/74/53/92/598745392.db2.gz APEBROXHZYKBJB-GFCCVEGCSA-N -1 3 353.451 3.470 20 0 FGADHM CCSc1ccc([C@@H](C)NC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736664584 598745393 /nfs/dbraw/zinc/74/53/93/598745393.db2.gz APEBROXHZYKBJB-GFCCVEGCSA-N -1 3 353.451 3.470 20 0 FGADHM CCS[C@@H]1CCCCN(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000736664410 598750127 /nfs/dbraw/zinc/75/01/27/598750127.db2.gz KFVHUMYXOWQBHW-GFCCVEGCSA-N -1 3 364.450 3.145 20 0 FGADHM CCS[C@@H]1CCCCN(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000736664410 598750129 /nfs/dbraw/zinc/75/01/29/598750129.db2.gz KFVHUMYXOWQBHW-GFCCVEGCSA-N -1 3 364.450 3.145 20 0 FGADHM c1ccc2nc(N3CCC(Oc4ccc(-c5nn[n-]n5)cc4)CC3)ccc2c1 ZINC000738443071 598756883 /nfs/dbraw/zinc/75/68/83/598756883.db2.gz VDQJQSCIBVDJMA-UHFFFAOYSA-N -1 3 372.432 3.463 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C=Cc1cnc(C)s1 ZINC000736481186 598762943 /nfs/dbraw/zinc/76/29/43/598762943.db2.gz VXQJULBXAOQVNS-HJWRWDBZSA-N -1 3 368.466 3.084 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C=Cc1cnc(C)s1 ZINC000736481186 598762944 /nfs/dbraw/zinc/76/29/44/598762944.db2.gz VXQJULBXAOQVNS-HJWRWDBZSA-N -1 3 368.466 3.084 20 0 FGADHM C[C@H](Nc1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21)c1ccccn1 ZINC000736140697 598769805 /nfs/dbraw/zinc/76/98/05/598769805.db2.gz ZUOOAOMDPHOOGT-VIFPVBQESA-N -1 3 353.336 3.261 20 0 FGADHM C[C@H](Nc1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21)c1ccccn1 ZINC000736140697 598769807 /nfs/dbraw/zinc/76/98/07/598769807.db2.gz ZUOOAOMDPHOOGT-VIFPVBQESA-N -1 3 353.336 3.261 20 0 FGADHM Fc1cc(F)c2ncc(-c3nnn[n-]3)c(NC[C@H]3CC3(Cl)Cl)c2c1 ZINC000737643265 598770393 /nfs/dbraw/zinc/77/03/93/598770393.db2.gz DTBIFVMEVKMLLX-ZCFIWIBFSA-N -1 3 371.178 3.299 20 0 FGADHM Fc1cc(F)c2ncc(-c3nn[n-]n3)c(NC[C@H]3CC3(Cl)Cl)c2c1 ZINC000737643265 598770395 /nfs/dbraw/zinc/77/03/95/598770395.db2.gz DTBIFVMEVKMLLX-ZCFIWIBFSA-N -1 3 371.178 3.299 20 0 FGADHM Cc1nc(CCNc2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)cs1 ZINC000737471538 598770841 /nfs/dbraw/zinc/77/08/41/598770841.db2.gz IUCQGJMFJLRWNG-UHFFFAOYSA-N -1 3 373.392 3.113 20 0 FGADHM Cc1nc(CCNc2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)cs1 ZINC000737471538 598770842 /nfs/dbraw/zinc/77/08/42/598770842.db2.gz IUCQGJMFJLRWNG-UHFFFAOYSA-N -1 3 373.392 3.113 20 0 FGADHM COCCOc1ccc(CNc2ccc(Cl)cc2-c2nnn[n-]2)cc1 ZINC000737016293 598793049 /nfs/dbraw/zinc/79/30/49/598793049.db2.gz VTSXKEVCUYGYPA-UHFFFAOYSA-N -1 3 359.817 3.157 20 0 FGADHM COCCOc1ccc(CNc2ccc(Cl)cc2-c2nn[n-]n2)cc1 ZINC000737016293 598793050 /nfs/dbraw/zinc/79/30/50/598793050.db2.gz VTSXKEVCUYGYPA-UHFFFAOYSA-N -1 3 359.817 3.157 20 0 FGADHM COc1ccc(OCCCNc2ccc(Cl)cc2-c2nnn[n-]2)cc1 ZINC000737109654 598794236 /nfs/dbraw/zinc/79/42/36/598794236.db2.gz KWKHGHHZGMYMCN-UHFFFAOYSA-N -1 3 359.817 3.410 20 0 FGADHM COc1ccc(OCCCNc2ccc(Cl)cc2-c2nn[n-]n2)cc1 ZINC000737109654 598794238 /nfs/dbraw/zinc/79/42/38/598794238.db2.gz KWKHGHHZGMYMCN-UHFFFAOYSA-N -1 3 359.817 3.410 20 0 FGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)NC/C=C/c1ccccc1 ZINC000735661107 598798059 /nfs/dbraw/zinc/79/80/59/598798059.db2.gz RKLYDPGFRFKLOU-JXMROGBWSA-N -1 3 365.441 3.258 20 0 FGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)NC/C=C/c1ccccc1 ZINC000735661107 598798061 /nfs/dbraw/zinc/79/80/61/598798061.db2.gz RKLYDPGFRFKLOU-JXMROGBWSA-N -1 3 365.441 3.258 20 0 FGADHM CN(c1ccccc1)c1ccccc1C(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000736844275 598803229 /nfs/dbraw/zinc/80/32/29/598803229.db2.gz URYCIUFTJBYSLM-UHFFFAOYSA-N -1 3 371.404 3.282 20 0 FGADHM CN(c1ccccc1)c1ccccc1C(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000736844275 598803231 /nfs/dbraw/zinc/80/32/31/598803231.db2.gz URYCIUFTJBYSLM-UHFFFAOYSA-N -1 3 371.404 3.282 20 0 FGADHM O=C(CCCOc1cccc2ccccc21)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000737835008 598804013 /nfs/dbraw/zinc/80/40/13/598804013.db2.gz BTGWDEXPPUVAAF-UHFFFAOYSA-N -1 3 374.404 3.213 20 0 FGADHM O=C(CCCOc1cccc2ccccc21)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000737835008 598804014 /nfs/dbraw/zinc/80/40/14/598804014.db2.gz BTGWDEXPPUVAAF-UHFFFAOYSA-N -1 3 374.404 3.213 20 0 FGADHM Brc1ccc2ncnc(Oc3ccccc3-c3nnn[n-]3)c2c1 ZINC000735368186 598813275 /nfs/dbraw/zinc/81/32/75/598813275.db2.gz HEPWVIKYLGFKED-UHFFFAOYSA-N -1 3 369.182 3.365 20 0 FGADHM Brc1ccc2ncnc(Oc3ccccc3-c3nn[n-]n3)c2c1 ZINC000735368186 598813277 /nfs/dbraw/zinc/81/32/77/598813277.db2.gz HEPWVIKYLGFKED-UHFFFAOYSA-N -1 3 369.182 3.365 20 0 FGADHM COc1ccc2[nH]cc(CCNc3ccc(-c4nn[n-]n4)cc3F)c2c1 ZINC000737113665 598817891 /nfs/dbraw/zinc/81/78/91/598817891.db2.gz DAAQUBQZAJSRIY-UHFFFAOYSA-N -1 3 352.373 3.150 20 0 FGADHM CCSc1cc(C(=O)N(CC)c2ccc(-c3nnn[n-]3)cc2)ccn1 ZINC000736664570 599312446 /nfs/dbraw/zinc/31/24/46/599312446.db2.gz AEEBCVKOOKLKEV-UHFFFAOYSA-N -1 3 354.439 3.040 20 0 FGADHM CCSc1cc(C(=O)N(CC)c2ccc(-c3nn[n-]n3)cc2)ccn1 ZINC000736664570 599312449 /nfs/dbraw/zinc/31/24/49/599312449.db2.gz AEEBCVKOOKLKEV-UHFFFAOYSA-N -1 3 354.439 3.040 20 0 FGADHM C[C@@H](c1ccc(-c2nnn[n-]2)cc1)N1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000736197615 599314517 /nfs/dbraw/zinc/31/45/17/599314517.db2.gz BCMUYQXGVCNEKZ-SGTLLEGYSA-N -1 3 371.391 3.279 20 0 FGADHM C[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000736197615 599314519 /nfs/dbraw/zinc/31/45/19/599314519.db2.gz BCMUYQXGVCNEKZ-SGTLLEGYSA-N -1 3 371.391 3.279 20 0 FGADHM Fc1ccc(NCc2ccc(-c3nnn[n-]3)cc2F)c(OC(F)F)c1 ZINC000737657644 599331010 /nfs/dbraw/zinc/33/10/10/599331010.db2.gz YBCUYNYOZBYOPY-UHFFFAOYSA-N -1 3 353.279 3.358 20 0 FGADHM Fc1ccc(NCc2ccc(-c3nn[n-]n3)cc2F)c(OC(F)F)c1 ZINC000737657644 599331012 /nfs/dbraw/zinc/33/10/12/599331012.db2.gz YBCUYNYOZBYOPY-UHFFFAOYSA-N -1 3 353.279 3.358 20 0 FGADHM O=C(CSc1ccccc1-c1nnn[n-]1)N[C@@H]1CCCc2ccccc21 ZINC000823070678 599346674 /nfs/dbraw/zinc/34/66/74/599346674.db2.gz JSKRZYKMYMLQHU-MRXNPFEDSA-N -1 3 365.462 3.153 20 0 FGADHM O=C(CSc1ccccc1-c1nn[n-]n1)N[C@@H]1CCCc2ccccc21 ZINC000823070678 599346676 /nfs/dbraw/zinc/34/66/76/599346676.db2.gz JSKRZYKMYMLQHU-MRXNPFEDSA-N -1 3 365.462 3.153 20 0 FGADHM CC[C@@H](Sc1ccccc1-c1nnn[n-]1)C(=O)Nc1ccc(OC)cc1 ZINC000820939067 599349503 /nfs/dbraw/zinc/34/95/03/599349503.db2.gz PTIJCKQZBOWTGM-OAHLLOKOSA-N -1 3 369.450 3.385 20 0 FGADHM CC[C@@H](Sc1ccccc1-c1nn[n-]n1)C(=O)Nc1ccc(OC)cc1 ZINC000820939067 599349505 /nfs/dbraw/zinc/34/95/05/599349505.db2.gz PTIJCKQZBOWTGM-OAHLLOKOSA-N -1 3 369.450 3.385 20 0 FGADHM Cc1nc(N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc(-c2cccnc2)n1 ZINC000822453757 599353335 /nfs/dbraw/zinc/35/33/35/599353335.db2.gz OHKHMNXTPMXUQC-LBPRGKRZSA-N -1 3 358.409 3.200 20 0 FGADHM Cc1nc(N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc(-c2cccnc2)n1 ZINC000822453757 599353339 /nfs/dbraw/zinc/35/33/39/599353339.db2.gz OHKHMNXTPMXUQC-LBPRGKRZSA-N -1 3 358.409 3.200 20 0 FGADHM C[C@H](Nc1cnc2cc(F)c(F)cc2n1)c1cccc(-c2nnn[n-]2)c1 ZINC000820461015 599354992 /nfs/dbraw/zinc/35/49/92/599354992.db2.gz DOFAGAFXHRJUTN-VIFPVBQESA-N -1 3 353.336 3.261 20 0 FGADHM C[C@H](Nc1cnc2cc(F)c(F)cc2n1)c1cccc(-c2nn[n-]n2)c1 ZINC000820461015 599354995 /nfs/dbraw/zinc/35/49/95/599354995.db2.gz DOFAGAFXHRJUTN-VIFPVBQESA-N -1 3 353.336 3.261 20 0 FGADHM COc1ccc(CCNc2ccc(Br)cc2-c2nnn[n-]2)cc1 ZINC000737090917 599362293 /nfs/dbraw/zinc/36/22/93/599362293.db2.gz WICNCIKPZQCBCW-UHFFFAOYSA-N -1 3 374.242 3.292 20 0 FGADHM COc1cc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc(OC)c1OC ZINC000821719324 599363988 /nfs/dbraw/zinc/36/39/88/599363988.db2.gz BPWKPPFYNPNCDX-LLVKDONJSA-N -1 3 355.398 3.066 20 0 FGADHM COc1cc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc(OC)c1OC ZINC000821719324 599363989 /nfs/dbraw/zinc/36/39/89/599363989.db2.gz BPWKPPFYNPNCDX-LLVKDONJSA-N -1 3 355.398 3.066 20 0 FGADHM COc1ccccc1CS[C@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000737151376 599369677 /nfs/dbraw/zinc/36/96/77/599369677.db2.gz FMHGRSHVXYNQCG-GFCCVEGCSA-N -1 3 369.450 3.136 20 0 FGADHM COc1ccccc1CS[C@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000737151376 599369679 /nfs/dbraw/zinc/36/96/79/599369679.db2.gz FMHGRSHVXYNQCG-GFCCVEGCSA-N -1 3 369.450 3.136 20 0 FGADHM Cc1cccc(Cl)c1OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000822303483 599387008 /nfs/dbraw/zinc/38/70/08/599387008.db2.gz CCRASLGHRDLUNQ-UHFFFAOYSA-N -1 3 368.784 3.458 20 0 FGADHM Cc1cccc(Cl)c1OCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000822303483 599387011 /nfs/dbraw/zinc/38/70/11/599387011.db2.gz CCRASLGHRDLUNQ-UHFFFAOYSA-N -1 3 368.784 3.458 20 0 FGADHM COC(=O)[C@@H](NCCCCC1CCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000821641929 599387486 /nfs/dbraw/zinc/38/74/86/599387486.db2.gz AGYIKKPNDZVGRU-KRWDZBQOSA-N -1 3 357.458 3.031 20 0 FGADHM COC(=O)[C@@H](NCCCCC1CCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000821641929 599387487 /nfs/dbraw/zinc/38/74/87/599387487.db2.gz AGYIKKPNDZVGRU-KRWDZBQOSA-N -1 3 357.458 3.031 20 0 FGADHM COc1cc([C@H](C)NCc2ccc(-c3nnn[n-]3)o2)ccc1OCC(C)C ZINC000821708547 599398927 /nfs/dbraw/zinc/39/89/27/599398927.db2.gz SCPHUHBMOTZWIE-ZDUSSCGKSA-N -1 3 371.441 3.354 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1CNc1ccccc1OCC(F)F ZINC000821736473 607373787 /nfs/dbraw/zinc/37/37/87/607373787.db2.gz KRXWARCLCQVDNE-UHFFFAOYSA-N -1 3 361.352 3.131 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1CNc1ccccc1OCC(F)F ZINC000821736473 607373788 /nfs/dbraw/zinc/37/37/88/607373788.db2.gz KRXWARCLCQVDNE-UHFFFAOYSA-N -1 3 361.352 3.131 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1CSc1nc2ccccc2nc1C ZINC000821752935 607378111 /nfs/dbraw/zinc/37/81/11/607378111.db2.gz WWVYRQILINNIRZ-UHFFFAOYSA-N -1 3 364.434 3.419 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1CSc1nc2ccccc2nc1C ZINC000821752935 607378113 /nfs/dbraw/zinc/37/81/13/607378113.db2.gz WWVYRQILINNIRZ-UHFFFAOYSA-N -1 3 364.434 3.419 20 0 FGADHM C[C@@H](NC(=O)NCc1coc2ccccc12)c1cccc(-c2nnn[n-]2)c1 ZINC000820374507 599441979 /nfs/dbraw/zinc/44/19/79/599441979.db2.gz ONQSVHVIELNYDR-GFCCVEGCSA-N -1 3 362.393 3.173 20 0 FGADHM C[C@@H](NC(=O)NCc1coc2ccccc12)c1cccc(-c2nn[n-]n2)c1 ZINC000820374507 599441980 /nfs/dbraw/zinc/44/19/80/599441980.db2.gz ONQSVHVIELNYDR-GFCCVEGCSA-N -1 3 362.393 3.173 20 0 FGADHM C[C@H](NC(=O)NCC[C@@H]1CCCC[C@@H]1C)c1cccc(-c2nnn[n-]2)c1 ZINC000820366326 599442149 /nfs/dbraw/zinc/44/21/49/599442149.db2.gz NBKGOHBFRAMURT-KKUMJFAQSA-N -1 3 356.474 3.443 20 0 FGADHM C[C@H](NC(=O)NCC[C@@H]1CCCC[C@@H]1C)c1cccc(-c2nn[n-]n2)c1 ZINC000820366326 599442154 /nfs/dbraw/zinc/44/21/54/599442154.db2.gz NBKGOHBFRAMURT-KKUMJFAQSA-N -1 3 356.474 3.443 20 0 FGADHM Fc1ccc(-c2nn[n-]n2)cc1CNCc1c(F)cccc1N1CCCC1 ZINC000822761314 599457024 /nfs/dbraw/zinc/45/70/24/599457024.db2.gz ICAJIIINAVTEIT-UHFFFAOYSA-N -1 3 370.407 3.035 20 0 FGADHM CC(C)(C)OC(=O)Cc1cccc(NCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000819928601 599461567 /nfs/dbraw/zinc/46/15/67/599461567.db2.gz RKHFPECCZFNEKK-UHFFFAOYSA-N -1 3 365.437 3.363 20 0 FGADHM CC(C)(C)OC(=O)Cc1cccc(NCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000819928601 599461569 /nfs/dbraw/zinc/46/15/69/599461569.db2.gz RKHFPECCZFNEKK-UHFFFAOYSA-N -1 3 365.437 3.363 20 0 FGADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1)c1cccc(Oc2nccs2)c1 ZINC000738250981 599466890 /nfs/dbraw/zinc/46/68/90/599466890.db2.gz JUNZQADTFHDXOO-UHFFFAOYSA-N -1 3 365.374 3.335 20 0 FGADHM C[C@@H](NC(=O)N1CC2C[C@@H]3CC1C[C@H](C2)C3)c1cccc(-c2nnn[n-]2)c1 ZINC000820339598 599470258 /nfs/dbraw/zinc/47/02/58/599470258.db2.gz DOSGUUJGNKWKJY-HMEJJSDOSA-N -1 3 366.469 3.148 20 0 FGADHM C[C@@H](NC(=O)N1CC2C[C@@H]3CC1C[C@H](C2)C3)c1cccc(-c2nn[n-]n2)c1 ZINC000820339598 599470260 /nfs/dbraw/zinc/47/02/60/599470260.db2.gz DOSGUUJGNKWKJY-HMEJJSDOSA-N -1 3 366.469 3.148 20 0 FGADHM CCCOc1ccc(CNc2ccc(F)cc2-c2nnn[n-]2)cc1OC ZINC000821134298 599470620 /nfs/dbraw/zinc/47/06/20/599470620.db2.gz SFFYUGHFIPVVJH-UHFFFAOYSA-N -1 3 357.389 3.415 20 0 FGADHM CCCOc1ccc(CNc2ccc(F)cc2-c2nn[n-]n2)cc1OC ZINC000821134298 599470623 /nfs/dbraw/zinc/47/06/23/599470623.db2.gz SFFYUGHFIPVVJH-UHFFFAOYSA-N -1 3 357.389 3.415 20 0 FGADHM Fc1ccc(C[C@@H]2CCN(c3ncc(-c4nnn[n-]4)cc3Cl)C2)cc1 ZINC000737650615 599472999 /nfs/dbraw/zinc/47/29/99/599472999.db2.gz QBPKBTNGXBNKOD-LBPRGKRZSA-N -1 3 358.808 3.123 20 0 FGADHM Fc1ccc(C[C@@H]2CCN(c3ncc(-c4nn[n-]n4)cc3Cl)C2)cc1 ZINC000737650615 599473000 /nfs/dbraw/zinc/47/30/00/599473000.db2.gz QBPKBTNGXBNKOD-LBPRGKRZSA-N -1 3 358.808 3.123 20 0 FGADHM CC[C@H](CNC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000820908279 599476507 /nfs/dbraw/zinc/47/65/07/599476507.db2.gz JXNNOOOZGMKBCM-HUUCEWRRSA-N -1 3 364.453 3.421 20 0 FGADHM CC[C@H](CNC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000820908279 599476509 /nfs/dbraw/zinc/47/65/09/599476509.db2.gz JXNNOOOZGMKBCM-HUUCEWRRSA-N -1 3 364.453 3.421 20 0 FGADHM CN(Cc1ccn(-c2ccccc2)n1)c1c(Cl)cccc1-c1nnn[n-]1 ZINC000821615620 599485359 /nfs/dbraw/zinc/48/53/59/599485359.db2.gz FYLHDMPUWNHPSK-UHFFFAOYSA-N -1 3 365.828 3.342 20 0 FGADHM CN(Cc1ccn(-c2ccccc2)n1)c1c(Cl)cccc1-c1nn[n-]n1 ZINC000821615620 599485360 /nfs/dbraw/zinc/48/53/60/599485360.db2.gz FYLHDMPUWNHPSK-UHFFFAOYSA-N -1 3 365.828 3.342 20 0 FGADHM Cc1[nH]c2ccc(C(=O)N[C@@H](C)c3cccc(-c4nnn[n-]4)c3)cc2c1C ZINC000822009873 599500410 /nfs/dbraw/zinc/50/04/10/599500410.db2.gz FXNFZBJGSJYKGU-ZDUSSCGKSA-N -1 3 360.421 3.456 20 0 FGADHM Cc1[nH]c2ccc(C(=O)N[C@@H](C)c3cccc(-c4nn[n-]n4)c3)cc2c1C ZINC000822009873 599500414 /nfs/dbraw/zinc/50/04/14/599500414.db2.gz FXNFZBJGSJYKGU-ZDUSSCGKSA-N -1 3 360.421 3.456 20 0 FGADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2NCc1cccc2cccnc21 ZINC000822336207 599503594 /nfs/dbraw/zinc/50/35/94/599503594.db2.gz ONCDWLNNDNONOY-UHFFFAOYSA-N -1 3 367.416 3.306 20 0 FGADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2NCc1cccc2cccnc21 ZINC000822336207 599503597 /nfs/dbraw/zinc/50/35/97/599503597.db2.gz ONCDWLNNDNONOY-UHFFFAOYSA-N -1 3 367.416 3.306 20 0 FGADHM CN(C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)C1CC1 ZINC000736747654 599503981 /nfs/dbraw/zinc/50/39/81/599503981.db2.gz FNBDFVKHJZVEKR-UHFFFAOYSA-N -1 3 350.382 3.285 20 0 FGADHM CN(C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)C1CC1 ZINC000736747654 599503983 /nfs/dbraw/zinc/50/39/83/599503983.db2.gz FNBDFVKHJZVEKR-UHFFFAOYSA-N -1 3 350.382 3.285 20 0 FGADHM C[C@H](NC(=O)CCSc1ccc(F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820327738 599506082 /nfs/dbraw/zinc/50/60/82/599506082.db2.gz JFAROTPHNBQKQJ-LBPRGKRZSA-N -1 3 371.441 3.365 20 0 FGADHM C[C@H](NC(=O)CCSc1ccc(F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820327738 599506085 /nfs/dbraw/zinc/50/60/85/599506085.db2.gz JFAROTPHNBQKQJ-LBPRGKRZSA-N -1 3 371.441 3.365 20 0 FGADHM CC(C)(C)c1cn2c(n1)CC[C@@H](Nc1ccc(-c3nnn[n-]3)c(Cl)c1)C2 ZINC000819958870 599510305 /nfs/dbraw/zinc/51/03/05/599510305.db2.gz RTQKJQYMNLSREF-GFCCVEGCSA-N -1 3 371.876 3.441 20 0 FGADHM CC(C)(C)c1cn2c(n1)CC[C@@H](Nc1ccc(-c3nn[n-]n3)c(Cl)c1)C2 ZINC000819958870 599510307 /nfs/dbraw/zinc/51/03/07/599510307.db2.gz RTQKJQYMNLSREF-GFCCVEGCSA-N -1 3 371.876 3.441 20 0 FGADHM C[C@H](NC(=O)[C@]1(C)CCc2ccccc2C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820321223 599516204 /nfs/dbraw/zinc/51/62/04/599516204.db2.gz DAUMRVCKOVRHKN-LHSJRXKWSA-N -1 3 361.449 3.239 20 0 FGADHM C[C@H](NC(=O)[C@]1(C)CCc2ccccc2C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820321223 599516208 /nfs/dbraw/zinc/51/62/08/599516208.db2.gz DAUMRVCKOVRHKN-LHSJRXKWSA-N -1 3 361.449 3.239 20 0 FGADHM C[C@@H](NC(=O)c1cnc(Cl)c(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820403934 599519657 /nfs/dbraw/zinc/51/96/57/599519657.db2.gz NFUYSDJCSJMHNX-MRVPVSSYSA-N -1 3 363.208 3.060 20 0 FGADHM C[C@@H](NC(=O)c1cnc(Cl)c(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820403934 599519660 /nfs/dbraw/zinc/51/96/60/599519660.db2.gz NFUYSDJCSJMHNX-MRVPVSSYSA-N -1 3 363.208 3.060 20 0 FGADHM C[C@@H](NC(=O)c1coc(-c2ccccc2)n1)c1cccc(-c2nnn[n-]2)c1 ZINC000820404457 599522195 /nfs/dbraw/zinc/52/21/95/599522195.db2.gz VQKXICUOBKWDCC-GFCCVEGCSA-N -1 3 360.377 3.013 20 0 FGADHM C[C@@H](NC(=O)c1coc(-c2ccccc2)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000820404457 599522196 /nfs/dbraw/zinc/52/21/96/599522196.db2.gz VQKXICUOBKWDCC-GFCCVEGCSA-N -1 3 360.377 3.013 20 0 FGADHM C[C@H](NC(=O)c1nc(Cl)ccc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000820403979 599524318 /nfs/dbraw/zinc/52/43/18/599524318.db2.gz OKKUELDMIHTKFJ-QMMMGPOBSA-N -1 3 363.208 3.060 20 0 FGADHM C[C@H](NC(=O)c1nc(Cl)ccc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000820403979 599524321 /nfs/dbraw/zinc/52/43/21/599524321.db2.gz OKKUELDMIHTKFJ-QMMMGPOBSA-N -1 3 363.208 3.060 20 0 FGADHM CCc1cccc2c(CC(=O)N[C@H](C)c3cccc(-c4nnn[n-]4)c3)c[nH]c21 ZINC000821492531 599537126 /nfs/dbraw/zinc/53/71/26/599537126.db2.gz PUWQKZZKVVKQCR-CYBMUJFWSA-N -1 3 374.448 3.330 20 0 FGADHM CCc1cccc2c(CC(=O)N[C@H](C)c3cccc(-c4nn[n-]n4)c3)c[nH]c21 ZINC000821492531 599537128 /nfs/dbraw/zinc/53/71/28/599537128.db2.gz PUWQKZZKVVKQCR-CYBMUJFWSA-N -1 3 374.448 3.330 20 0 FGADHM C[C@H](NC(=O)C[C@H]1CCc2ccccc2C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820321198 599538194 /nfs/dbraw/zinc/53/81/94/599538194.db2.gz COCBTTXXPZYOGT-GJZGRUSLSA-N -1 3 361.449 3.239 20 0 FGADHM C[C@H](NC(=O)C[C@H]1CCc2ccccc2C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820321198 599538197 /nfs/dbraw/zinc/53/81/97/599538197.db2.gz COCBTTXXPZYOGT-GJZGRUSLSA-N -1 3 361.449 3.239 20 0 FGADHM C[C@@H](NC(=O)C1(c2ccc(Cl)cc2)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820321404 599538770 /nfs/dbraw/zinc/53/87/70/599538770.db2.gz FJXHTXRPWOTBMO-GFCCVEGCSA-N -1 3 367.840 3.429 20 0 FGADHM C[C@@H](NC(=O)C1(c2ccc(Cl)cc2)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820321404 599538773 /nfs/dbraw/zinc/53/87/73/599538773.db2.gz FJXHTXRPWOTBMO-GFCCVEGCSA-N -1 3 367.840 3.429 20 0 FGADHM C[C@@H](C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1)c1cccs1 ZINC000735511948 599541190 /nfs/dbraw/zinc/54/11/90/599541190.db2.gz IMCTXDHTLWRDQK-GFCCVEGCSA-N -1 3 353.451 3.223 20 0 FGADHM C[C@@H](C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1)c1cccs1 ZINC000735511948 599541192 /nfs/dbraw/zinc/54/11/92/599541192.db2.gz IMCTXDHTLWRDQK-GFCCVEGCSA-N -1 3 353.451 3.223 20 0 FGADHM Cc1cc(C)cc(C2(C(=O)N[C@H](C)c3cccc(-c4nnn[n-]4)c3)CC2)c1 ZINC000822196246 599542463 /nfs/dbraw/zinc/54/24/63/599542463.db2.gz AYVJCVOYGHETCY-OAHLLOKOSA-N -1 3 361.449 3.393 20 0 FGADHM Cc1cc(C)cc(C2(C(=O)N[C@H](C)c3cccc(-c4nn[n-]n4)c3)CC2)c1 ZINC000822196246 599542465 /nfs/dbraw/zinc/54/24/65/599542465.db2.gz AYVJCVOYGHETCY-OAHLLOKOSA-N -1 3 361.449 3.393 20 0 FGADHM Cc1cccc2c(CC(=O)N[C@H](C)c3cccc(-c4nnn[n-]4)c3)c[nH]c21 ZINC000822331960 599543660 /nfs/dbraw/zinc/54/36/60/599543660.db2.gz JWMXJWOHVWSZNK-CYBMUJFWSA-N -1 3 360.421 3.076 20 0 FGADHM Cc1cccc2c(CC(=O)N[C@H](C)c3cccc(-c4nn[n-]n4)c3)c[nH]c21 ZINC000822331960 599543662 /nfs/dbraw/zinc/54/36/62/599543662.db2.gz JWMXJWOHVWSZNK-CYBMUJFWSA-N -1 3 360.421 3.076 20 0 FGADHM Cc1oc(-c2ccccc2)nc1C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822535630 599545189 /nfs/dbraw/zinc/54/51/89/599545189.db2.gz YWRLOVLHMAPUSR-GFCCVEGCSA-N -1 3 374.404 3.321 20 0 FGADHM Cc1oc(-c2ccccc2)nc1C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822535630 599545191 /nfs/dbraw/zinc/54/51/91/599545191.db2.gz YWRLOVLHMAPUSR-GFCCVEGCSA-N -1 3 374.404 3.321 20 0 FGADHM C[C@@H]1CCN(C(=O)CCc2ccc(-c3nnn[n-]3)cc2)[C@@H](c2ccco2)C1 ZINC000820716906 599547887 /nfs/dbraw/zinc/54/78/87/599547887.db2.gz MKWVZCQQJCONEJ-RHSMWYFYSA-N -1 3 365.437 3.392 20 0 FGADHM C[C@@H]1CCN(C(=O)CCc2ccc(-c3nn[n-]n3)cc2)[C@@H](c2ccco2)C1 ZINC000820716906 599547889 /nfs/dbraw/zinc/54/78/89/599547889.db2.gz MKWVZCQQJCONEJ-RHSMWYFYSA-N -1 3 365.437 3.392 20 0 FGADHM CC[C@H]1CN(c2c(-c3nnn[n-]3)cnc3c(C)cc(C)cc32)C[C@H](C)O1 ZINC000820995158 599549138 /nfs/dbraw/zinc/54/91/38/599549138.db2.gz NPZYIBVABMJHJP-KBPBESRZSA-N -1 3 352.442 3.035 20 0 FGADHM CC[C@H]1CN(c2c(-c3nn[n-]n3)cnc3c(C)cc(C)cc32)C[C@H](C)O1 ZINC000820995158 599549140 /nfs/dbraw/zinc/54/91/40/599549140.db2.gz NPZYIBVABMJHJP-KBPBESRZSA-N -1 3 352.442 3.035 20 0 FGADHM C[C@H]1CCCN(C(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)C1 ZINC000736264766 599561987 /nfs/dbraw/zinc/56/19/87/599561987.db2.gz GEMWVGHGNSSKSU-AWEZNQCLSA-N -1 3 362.437 3.482 20 0 FGADHM CS[C@H]1CCC[C@H](Nc2c(-c3nnn[n-]3)cnc3c(C)cccc32)C1 ZINC000821949150 599562291 /nfs/dbraw/zinc/56/22/91/599562291.db2.gz FNOBTGDHFYYPTM-STQMWFEESA-N -1 3 354.483 3.231 20 0 FGADHM CS[C@H]1CCC[C@H](Nc2c(-c3nn[n-]n3)cnc3c(C)cccc32)C1 ZINC000821949150 599562294 /nfs/dbraw/zinc/56/22/94/599562294.db2.gz FNOBTGDHFYYPTM-STQMWFEESA-N -1 3 354.483 3.231 20 0 FGADHM Cc1ccc(N(C)Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)cc1C ZINC000822241099 599565597 /nfs/dbraw/zinc/56/55/97/599565597.db2.gz KZOHKNQXJYHQEC-UHFFFAOYSA-N -1 3 361.409 3.170 20 0 FGADHM Cc1ccc(N(C)Cc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)cc1C ZINC000822241099 599565599 /nfs/dbraw/zinc/56/55/99/599565599.db2.gz KZOHKNQXJYHQEC-UHFFFAOYSA-N -1 3 361.409 3.170 20 0 FGADHM C[C@H]1c2ccccc2CCN1Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000820827822 599573891 /nfs/dbraw/zinc/57/38/91/599573891.db2.gz YIOIGLQACBRALZ-ZDUSSCGKSA-N -1 3 373.420 3.036 20 0 FGADHM C[C@H]1c2ccccc2CCN1Cc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000820827822 599573894 /nfs/dbraw/zinc/57/38/94/599573894.db2.gz YIOIGLQACBRALZ-ZDUSSCGKSA-N -1 3 373.420 3.036 20 0 FGADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(N2CC[C@@H](Cc3ccccc3)C2)n1 ZINC000822723843 599580773 /nfs/dbraw/zinc/58/07/73/599580773.db2.gz QPVNKARCYUBWHZ-ZDUSSCGKSA-N -1 3 374.370 3.350 20 0 FGADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(N2CC[C@@H](Cc3ccccc3)C2)n1 ZINC000822723843 599580776 /nfs/dbraw/zinc/58/07/76/599580776.db2.gz QPVNKARCYUBWHZ-ZDUSSCGKSA-N -1 3 374.370 3.350 20 0 FGADHM CS[C@@H]1CCCCN(c2c(-c3nnn[n-]3)cnc3c(C)cccc32)C1 ZINC000821956335 607385649 /nfs/dbraw/zinc/38/56/49/607385649.db2.gz MKZFZMFXAYUUCK-CYBMUJFWSA-N -1 3 354.483 3.445 20 0 FGADHM CS[C@@H]1CCCCN(c2c(-c3nn[n-]n3)cnc3c(C)cccc32)C1 ZINC000821956335 607385651 /nfs/dbraw/zinc/38/56/51/607385651.db2.gz MKZFZMFXAYUUCK-CYBMUJFWSA-N -1 3 354.483 3.445 20 0 FGADHM CC[C@H](c1ccncc1)N(C)C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736396321 599601396 /nfs/dbraw/zinc/60/13/96/599601396.db2.gz LCJCBRWNMLADQZ-CXAGYDPISA-N -1 3 365.441 3.115 20 0 FGADHM CC[C@H](c1ccncc1)N(C)C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736396321 599601397 /nfs/dbraw/zinc/60/13/97/599601397.db2.gz LCJCBRWNMLADQZ-CXAGYDPISA-N -1 3 365.441 3.115 20 0 FGADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1)[C@H]1C[C@@]12CCCc1ccccc12 ZINC000823417913 599623323 /nfs/dbraw/zinc/62/33/23/599623323.db2.gz LNQMLFADVGOQGV-WIYYLYMNSA-N -1 3 360.417 3.204 20 0 FGADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1)[C@H]1C[C@@]12CCCc1ccccc12 ZINC000823417913 599623324 /nfs/dbraw/zinc/62/33/24/599623324.db2.gz LNQMLFADVGOQGV-WIYYLYMNSA-N -1 3 360.417 3.204 20 0 FGADHM Cc1cc(COC(=O)C=Cc2ccccc2-c2nnn[n-]2)c2ccccc2n1 ZINC000822201086 599623873 /nfs/dbraw/zinc/62/38/73/599623873.db2.gz QAVLELCYLCXARC-ZHACJKMWSA-N -1 3 371.400 3.480 20 0 FGADHM Cc1cc(COC(=O)C=Cc2ccccc2-c2nn[n-]n2)c2ccccc2n1 ZINC000822201086 599623874 /nfs/dbraw/zinc/62/38/74/599623874.db2.gz QAVLELCYLCXARC-ZHACJKMWSA-N -1 3 371.400 3.480 20 0 FGADHM O=C(Nc1ccccc1-c1nnn[n-]1)c1cc(OCc2ccccc2)ccn1 ZINC000823367195 599629072 /nfs/dbraw/zinc/62/90/72/599629072.db2.gz FQDXZFNJUJTXNC-UHFFFAOYSA-N -1 3 372.388 3.093 20 0 FGADHM O=C(Nc1ccccc1-c1nn[n-]n1)c1cc(OCc2ccccc2)ccn1 ZINC000823367195 599629073 /nfs/dbraw/zinc/62/90/73/599629073.db2.gz FQDXZFNJUJTXNC-UHFFFAOYSA-N -1 3 372.388 3.093 20 0 FGADHM O=C(Nc1sccc1-c1nnn[n-]1)[C@H]1C[C@@]12CCCc1ccccc12 ZINC000823387440 599630061 /nfs/dbraw/zinc/63/00/61/599630061.db2.gz JYIYXEHZCCETCV-RDTXWAMCSA-N -1 3 351.435 3.161 20 0 FGADHM O=C(Nc1sccc1-c1nn[n-]n1)[C@H]1C[C@@]12CCCc1ccccc12 ZINC000823387440 599630062 /nfs/dbraw/zinc/63/00/62/599630062.db2.gz JYIYXEHZCCETCV-RDTXWAMCSA-N -1 3 351.435 3.161 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1cccnc1Cl ZINC000823303633 599633532 /nfs/dbraw/zinc/63/35/32/599633532.db2.gz PEYNNDKYXWWYKP-UHFFFAOYSA-N -1 3 368.706 3.186 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1cccnc1Cl ZINC000823303633 599633533 /nfs/dbraw/zinc/63/35/33/599633533.db2.gz PEYNNDKYXWWYKP-UHFFFAOYSA-N -1 3 368.706 3.186 20 0 FGADHM Cc1ccccc1CC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000822355995 599634884 /nfs/dbraw/zinc/63/48/84/599634884.db2.gz FULSHFYNAUNUSS-UHFFFAOYSA-N -1 3 361.327 3.375 20 0 FGADHM Cc1ccccc1CC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000822355995 599634885 /nfs/dbraw/zinc/63/48/85/599634885.db2.gz FULSHFYNAUNUSS-UHFFFAOYSA-N -1 3 361.327 3.375 20 0 FGADHM Cc1ccc(SCCOC(=O)Cc2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000822271233 599659568 /nfs/dbraw/zinc/65/95/68/599659568.db2.gz RUDVTBSHPWAWAK-UHFFFAOYSA-N -1 3 368.462 3.362 20 0 FGADHM Cc1ccc(SCCOC(=O)Cc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000822271233 599659569 /nfs/dbraw/zinc/65/95/69/599659569.db2.gz RUDVTBSHPWAWAK-UHFFFAOYSA-N -1 3 368.462 3.362 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)[C@H]1CCSc2ccccc21 ZINC000823426220 599667770 /nfs/dbraw/zinc/66/77/70/599667770.db2.gz DMCHHRVGMHPVOD-AWEZNQCLSA-N -1 3 370.409 3.329 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)[C@H]1CCSc2ccccc21 ZINC000823426220 599667771 /nfs/dbraw/zinc/66/77/71/599667771.db2.gz DMCHHRVGMHPVOD-AWEZNQCLSA-N -1 3 370.409 3.329 20 0 FGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)N1CCC(C2CCCC2)CC1 ZINC000823249828 599675349 /nfs/dbraw/zinc/67/53/49/599675349.db2.gz LLVZEIUWLTUXKF-UHFFFAOYSA-N -1 3 372.448 3.118 20 0 FGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)N1CCC(C2CCCC2)CC1 ZINC000823249828 599675350 /nfs/dbraw/zinc/67/53/50/599675350.db2.gz LLVZEIUWLTUXKF-UHFFFAOYSA-N -1 3 372.448 3.118 20 0 FGADHM Cc1cccc(C(C)(C)NC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000822289534 599681734 /nfs/dbraw/zinc/68/17/34/599681734.db2.gz YVJPFQTWLGZUFQ-CQSZACIVSA-N -1 3 364.453 3.471 20 0 FGADHM Cc1cccc(C(C)(C)NC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000822289534 599681735 /nfs/dbraw/zinc/68/17/35/599681735.db2.gz YVJPFQTWLGZUFQ-CQSZACIVSA-N -1 3 364.453 3.471 20 0 FGADHM CCN(CCc1cccs1)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821215805 599682340 /nfs/dbraw/zinc/68/23/40/599682340.db2.gz VJABRXHWMNEFAW-ZDUSSCGKSA-N -1 3 370.482 3.263 20 0 FGADHM CCN(CCc1cccs1)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821215805 599682341 /nfs/dbraw/zinc/68/23/41/599682341.db2.gz VJABRXHWMNEFAW-ZDUSSCGKSA-N -1 3 370.482 3.263 20 0 FGADHM COc1ccc(C2CCN(c3ncc(-c4nnn[n-]4)cc3Cl)CC2)cc1 ZINC000821786195 599685791 /nfs/dbraw/zinc/68/57/91/599685791.db2.gz BLXGQKFMPVMEBF-UHFFFAOYSA-N -1 3 370.844 3.308 20 0 FGADHM COc1ccc(C2CCN(c3ncc(-c4nn[n-]n4)cc3Cl)CC2)cc1 ZINC000821786195 599685792 /nfs/dbraw/zinc/68/57/92/599685792.db2.gz BLXGQKFMPVMEBF-UHFFFAOYSA-N -1 3 370.844 3.308 20 0 FGADHM CC(C)(C)OC(=O)NC(C)(C)CNc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000819983902 599685979 /nfs/dbraw/zinc/68/59/79/599685979.db2.gz JVRPFOCQFRBXKH-UHFFFAOYSA-N -1 3 366.853 3.235 20 0 FGADHM CC(C)(C)OC(=O)NC(C)(C)CNc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000819983902 599685980 /nfs/dbraw/zinc/68/59/80/599685980.db2.gz JVRPFOCQFRBXKH-UHFFFAOYSA-N -1 3 366.853 3.235 20 0 FGADHM Cc1ccccc1-c1noc([C@H](C)Sc2cc(-c3nnn[n-]3)ccn2)n1 ZINC000822345751 599690148 /nfs/dbraw/zinc/69/01/48/599690148.db2.gz QMUXXUZMMDAIBH-NSHDSACASA-N -1 3 365.422 3.473 20 0 FGADHM Cc1ccccc1-c1noc([C@H](C)Sc2cc(-c3nn[n-]n3)ccn2)n1 ZINC000822345751 599690149 /nfs/dbraw/zinc/69/01/49/599690149.db2.gz QMUXXUZMMDAIBH-NSHDSACASA-N -1 3 365.422 3.473 20 0 FGADHM CC1(C)C(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)C1(C)C ZINC000820586031 599699796 /nfs/dbraw/zinc/69/97/96/599699796.db2.gz RXXSXYGTMXUSHU-UHFFFAOYSA-N -1 3 351.357 3.089 20 0 FGADHM CC1(C)C(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)C1(C)C ZINC000820586031 599699797 /nfs/dbraw/zinc/69/97/97/599699797.db2.gz RXXSXYGTMXUSHU-UHFFFAOYSA-N -1 3 351.357 3.089 20 0 FGADHM O=C([O-])[C@H](c1ccc(F)cc1)N1CCC(NC(=O)C2CCCCC2)CC1 ZINC000739380664 599713288 /nfs/dbraw/zinc/71/32/88/599713288.db2.gz CKYBZWJPNMXTAN-SFHVURJKSA-N -1 3 362.445 3.112 20 0 FGADHM Cc1ccc([C@@H](CNC(=O)Nc2ccc(CCC(=O)[O-])cc2)N(C)C)cc1 ZINC000738563027 599825199 /nfs/dbraw/zinc/82/51/99/599825199.db2.gz XHFDIKBRQVILSQ-LJQANCHMSA-N -1 3 369.465 3.437 20 0 FGADHM COc1ccc([C@@H](NCc2ccc(Br)cc2)C(=O)[O-])cc1 ZINC000737968675 599860264 /nfs/dbraw/zinc/86/02/64/599860264.db2.gz HPJHIPSFWLMLOK-OAHLLOKOSA-N -1 3 350.212 3.373 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000826253213 607402767 /nfs/dbraw/zinc/40/27/67/607402767.db2.gz IJXYJNNLBBGPRB-KBPBESRZSA-N -1 3 370.359 3.300 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000826253213 607402768 /nfs/dbraw/zinc/40/27/68/607402768.db2.gz IJXYJNNLBBGPRB-KBPBESRZSA-N -1 3 370.359 3.300 20 0 FGADHM CCCC(=O)N[C@@H]1CCCN(Cc2c3ccccc3sc2C(=O)[O-])C1 ZINC000736952456 599938712 /nfs/dbraw/zinc/93/87/12/599938712.db2.gz UJXTUPVIOAFUOU-CYBMUJFWSA-N -1 3 360.479 3.480 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)c1cc(-c2ccccc2)no1 ZINC000826254201 607413136 /nfs/dbraw/zinc/41/31/36/607413136.db2.gz ZMNYNSRJXYLIET-UHFFFAOYSA-N -1 3 361.361 3.187 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)c1cc(-c2ccccc2)no1 ZINC000826254201 607413137 /nfs/dbraw/zinc/41/31/37/607413137.db2.gz ZMNYNSRJXYLIET-UHFFFAOYSA-N -1 3 361.361 3.187 20 0 FGADHM COc1ccc([C@H](NCC(=O)Nc2cccc(C(=O)[O-])c2)C(C)C)cc1 ZINC000737972127 600048582 /nfs/dbraw/zinc/04/85/82/600048582.db2.gz MULBEWQEGAAAKU-LJQANCHMSA-N -1 3 356.422 3.319 20 0 FGADHM CC(C)=C[C@@H]1[C@@H](C(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)C1(C)C ZINC000824177364 607419133 /nfs/dbraw/zinc/41/91/33/607419133.db2.gz HOPRNFLFFLTASO-CVEARBPZSA-N -1 3 351.454 3.210 20 0 FGADHM CC(C)=C[C@@H]1[C@@H](C(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)C1(C)C ZINC000824177364 607419135 /nfs/dbraw/zinc/41/91/35/607419135.db2.gz HOPRNFLFFLTASO-CVEARBPZSA-N -1 3 351.454 3.210 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)[C@H](C)OC1CCCCCC1 ZINC000821736480 607419783 /nfs/dbraw/zinc/41/97/83/607419783.db2.gz KRZWZNMKLCPHNK-ZDUSSCGKSA-N -1 3 374.441 3.046 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)[C@H](C)OC1CCCCCC1 ZINC000821736480 607419785 /nfs/dbraw/zinc/41/97/85/607419785.db2.gz KRZWZNMKLCPHNK-ZDUSSCGKSA-N -1 3 374.441 3.046 20 0 FGADHM O=C(C/C=C/c1ccc(F)cc1)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826404493 607419815 /nfs/dbraw/zinc/41/98/15/607419815.db2.gz CBRKFXYNSBMZBG-HNQUOIGGSA-N -1 3 363.396 3.215 20 0 FGADHM O=C(C/C=C/c1ccc(F)cc1)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826404493 607419816 /nfs/dbraw/zinc/41/98/16/607419816.db2.gz CBRKFXYNSBMZBG-HNQUOIGGSA-N -1 3 363.396 3.215 20 0 FGADHM O=C(C=Cc1ccccc1Cl)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826402400 607423100 /nfs/dbraw/zinc/42/31/00/607423100.db2.gz SJUICARSMZQWLT-CMDGGOBGSA-N -1 3 365.824 3.339 20 0 FGADHM O=C(C=Cc1ccccc1Cl)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826402400 607423101 /nfs/dbraw/zinc/42/31/01/607423101.db2.gz SJUICARSMZQWLT-CMDGGOBGSA-N -1 3 365.824 3.339 20 0 FGADHM Cc1cccc2[nH]cc(CC(=O)NC3(c4cccc(-c5nnn[n-]5)c4)CC3)c21 ZINC000826304181 607423902 /nfs/dbraw/zinc/42/39/02/607423902.db2.gz AODOSWOTANBGNA-UHFFFAOYSA-N -1 3 372.432 3.004 20 0 FGADHM Cc1cccc2[nH]cc(CC(=O)NC3(c4cccc(-c5nn[n-]n5)c4)CC3)c21 ZINC000826304181 607423903 /nfs/dbraw/zinc/42/39/03/607423903.db2.gz AODOSWOTANBGNA-UHFFFAOYSA-N -1 3 372.432 3.004 20 0 FGADHM Cc1ccsc1[C@@H]1C[C@H]1C(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826316353 607423983 /nfs/dbraw/zinc/42/39/83/607423983.db2.gz KYEXGOORTQHDPL-HUUCEWRRSA-N -1 3 365.462 3.146 20 0 FGADHM Cc1ccsc1[C@@H]1C[C@H]1C(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826316353 607423984 /nfs/dbraw/zinc/42/39/84/607423984.db2.gz KYEXGOORTQHDPL-HUUCEWRRSA-N -1 3 365.462 3.146 20 0 FGADHM O=C(CCc1cccc(Cl)c1)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826409374 607425700 /nfs/dbraw/zinc/42/57/00/607425700.db2.gz VNOVRGVPTZDCAY-UHFFFAOYSA-N -1 3 367.840 3.258 20 0 FGADHM O=C(CCc1cccc(Cl)c1)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826409374 607425701 /nfs/dbraw/zinc/42/57/01/607425701.db2.gz VNOVRGVPTZDCAY-UHFFFAOYSA-N -1 3 367.840 3.258 20 0 FGADHM CC(C)Oc1ccc(NC(=O)N(C)C2CCCCC2)cc1-c1nnn[n-]1 ZINC000820165899 607426121 /nfs/dbraw/zinc/42/61/21/607426121.db2.gz RKFJTIPLROSUIW-UHFFFAOYSA-N -1 3 358.446 3.450 20 0 FGADHM CC(C)Oc1ccc(NC(=O)N(C)C2CCCCC2)cc1-c1nn[n-]n1 ZINC000820165899 607426123 /nfs/dbraw/zinc/42/61/23/607426123.db2.gz RKFJTIPLROSUIW-UHFFFAOYSA-N -1 3 358.446 3.450 20 0 FGADHM Cc1cc(NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)c(C(=O)[O-])[nH]1 ZINC000738422695 600168549 /nfs/dbraw/zinc/16/85/49/600168549.db2.gz OAFBSAXJHRNUHB-CQSZACIVSA-N -1 3 359.401 3.011 20 0 FGADHM CC(C)Oc1ccc(NC(=O)N2Cc3ccccc3C2)cc1-c1nnn[n-]1 ZINC000820164379 607432754 /nfs/dbraw/zinc/43/27/54/607432754.db2.gz JVUBCARWVLEFEN-UHFFFAOYSA-N -1 3 364.409 3.202 20 0 FGADHM CC(C)Oc1ccc(NC(=O)N2Cc3ccccc3C2)cc1-c1nn[n-]n1 ZINC000820164379 607432756 /nfs/dbraw/zinc/43/27/56/607432756.db2.gz JVUBCARWVLEFEN-UHFFFAOYSA-N -1 3 364.409 3.202 20 0 FGADHM CN(C(=O)c1cccc(C(F)(F)F)c1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000825829621 607435877 /nfs/dbraw/zinc/43/58/77/607435877.db2.gz HLXPPJSNXJXQFO-UHFFFAOYSA-N -1 3 365.290 3.301 20 0 FGADHM CN(C(=O)c1cccc(C(F)(F)F)c1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000825829621 607435880 /nfs/dbraw/zinc/43/58/80/607435880.db2.gz HLXPPJSNXJXQFO-UHFFFAOYSA-N -1 3 365.290 3.301 20 0 FGADHM O=C([O-])CCN(Cc1ccc(F)c(F)c1)C[C@@H](O)c1ccccc1F ZINC000739720249 600329343 /nfs/dbraw/zinc/32/93/43/600329343.db2.gz NYQZWDDUHPKQGU-QGZVFWFLSA-N -1 3 353.340 3.114 20 0 FGADHM CN(C(=O)[C@@H]1C[C@@]12CCCc1ccccc12)c1ccc(-c2nnn[n-]2)cc1 ZINC000825812291 607433400 /nfs/dbraw/zinc/43/34/00/607433400.db2.gz JTNSRSBCSISVOC-GHTZIAJQSA-N -1 3 359.433 3.124 20 0 FGADHM CN(C(=O)[C@@H]1C[C@@]12CCCc1ccccc12)c1ccc(-c2nn[n-]n2)cc1 ZINC000825812291 607433402 /nfs/dbraw/zinc/43/34/02/607433402.db2.gz JTNSRSBCSISVOC-GHTZIAJQSA-N -1 3 359.433 3.124 20 0 FGADHM CCc1ccc([C@@H](NC(=O)CN(C)C[C@H](C)C(=O)[O-])c2cccs2)cc1 ZINC000737259545 600368280 /nfs/dbraw/zinc/36/82/80/600368280.db2.gz RWYIOAWOHUKHCV-IFXJQAMLSA-N -1 3 374.506 3.169 20 0 FGADHM Cc1ccc2c(CCC(=O)N(C)c3ccc(-c4nnn[n-]4)cc3)c[nH]c2c1 ZINC000826293598 607439347 /nfs/dbraw/zinc/43/93/47/607439347.db2.gz VFGMBIHNLZVUAZ-UHFFFAOYSA-N -1 3 360.421 3.252 20 0 FGADHM Cc1ccc2c(CCC(=O)N(C)c3ccc(-c4nn[n-]n4)cc3)c[nH]c2c1 ZINC000826293598 607439349 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O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1ccccc1C(F)(F)F ZINC000826427877 607447402 /nfs/dbraw/zinc/44/74/02/607447402.db2.gz FXIYYIKABRUVRJ-UHFFFAOYSA-N -1 3 373.338 3.305 20 0 FGADHM O=C([O-])C1CCC(NC(=O)N[C@@H](CN2CCCCC2)c2ccccc2)CC1 ZINC000666530254 600564978 /nfs/dbraw/zinc/56/49/78/600564978.db2.gz JOBOLSPNYKNDNH-ACBHZAAOSA-N -1 3 373.497 3.156 20 0 FGADHM O=C(N[C@@H]1C[C@H]1C1CCCCC1)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826428435 607457903 /nfs/dbraw/zinc/45/79/03/607457903.db2.gz BVMFPLBNACKEPD-DLBZAZTESA-N -1 3 366.469 3.124 20 0 FGADHM O=C(N[C@@H]1C[C@H]1C1CCCCC1)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826428435 607457905 /nfs/dbraw/zinc/45/79/05/607457905.db2.gz BVMFPLBNACKEPD-DLBZAZTESA-N -1 3 366.469 3.124 20 0 FGADHM CCN(CC)[C@H](CNC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1)c1ccsc1 ZINC000737085727 600656190 /nfs/dbraw/zinc/65/61/90/600656190.db2.gz RXSNQVDAAGBHPG-OFQRWUPVSA-N -1 3 352.500 3.138 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1C[C@H](C(C)C)Nc2ccccc21 ZINC000826244431 607461489 /nfs/dbraw/zinc/46/14/89/607461489.db2.gz RUMKIYHGRLYFFN-QGZVFWFLSA-N -1 3 362.437 3.272 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1C[C@H](C(C)C)Nc2ccccc21 ZINC000826244431 607461491 /nfs/dbraw/zinc/46/14/91/607461491.db2.gz RUMKIYHGRLYFFN-QGZVFWFLSA-N -1 3 362.437 3.272 20 0 FGADHM CCc1ccc([C@@H](C)N[C@@H]2CCN(c3sccc3C(=O)[O-])C2=O)cc1 ZINC000830237027 600690887 /nfs/dbraw/zinc/69/08/87/600690887.db2.gz GDHRNCYOFVBLGZ-MLGOLLRUSA-N -1 3 358.463 3.465 20 0 FGADHM O=C([O-])[C@@H](OC(=O)C1CCN(Cc2ccccc2)CC1)c1ccccc1 ZINC000740300309 600804600 /nfs/dbraw/zinc/80/46/00/600804600.db2.gz WOWDEDYMSDRBFZ-IBGZPJMESA-N -1 3 353.418 3.268 20 0 FGADHM FC(F)(F)c1ccc(-n2cc(Nc3ccc(-c4nnn[n-]4)cn3)cn2)cc1 ZINC000822723284 607470120 /nfs/dbraw/zinc/47/01/20/607470120.db2.gz CMOVRTVWBDNQEA-UHFFFAOYSA-N -1 3 372.314 3.210 20 0 FGADHM FC(F)(F)c1ccc(-n2cc(Nc3ccc(-c4nn[n-]n4)cn3)cn2)cc1 ZINC000822723284 607470122 /nfs/dbraw/zinc/47/01/22/607470122.db2.gz CMOVRTVWBDNQEA-UHFFFAOYSA-N -1 3 372.314 3.210 20 0 FGADHM CC[C@@]1(C)CCCN(CC2=C(C(=O)[O-])[C@@H](c3ccccc3)NC(=O)N2C)C1 ZINC000829043930 600848674 /nfs/dbraw/zinc/84/86/74/600848674.db2.gz JCGWKASPVINTFR-NQIIRXRSSA-N -1 3 371.481 3.234 20 0 FGADHM CC(C)[C@@H](NCc1ccc(-c2nnn[n-]2)cc1F)c1nc2ccccc2[nH]1 ZINC000820025729 607473360 /nfs/dbraw/zinc/47/33/60/607473360.db2.gz CYRBNCAXZSOUBK-QGZVFWFLSA-N -1 3 365.416 3.369 20 0 FGADHM CC(C)[C@@H](NCc1ccc(-c2nn[n-]n2)cc1F)c1nc2ccccc2[nH]1 ZINC000820025729 607473363 /nfs/dbraw/zinc/47/33/63/607473363.db2.gz CYRBNCAXZSOUBK-QGZVFWFLSA-N -1 3 365.416 3.369 20 0 FGADHM Fc1ccc([C@H](NCc2ccc(-c3nn[n-]n3)cc2F)[C@H]2CCCO2)cc1 ZINC000822766457 607477654 /nfs/dbraw/zinc/47/76/54/607477654.db2.gz JQELJKZFLQXJJN-MSOLQXFVSA-N -1 3 371.391 3.155 20 0 FGADHM CN(C(=O)OC(C)(C)C)C1CCN([C@@H](C(=O)[O-])c2ccccc2F)CC1 ZINC000830518921 601004270 /nfs/dbraw/zinc/00/42/70/601004270.db2.gz KAKWRJLLIPLYIK-MRXNPFEDSA-N -1 3 366.433 3.283 20 0 FGADHM CC(C)[C@@H]1CN(C)CCN1Cc1csc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000826741798 601011317 /nfs/dbraw/zinc/01/13/17/601011317.db2.gz PDVKGQMHEXLLDB-KRWDZBQOSA-N -1 3 359.495 3.280 20 0 FGADHM Cn1nc(C2CCCCC2)cc1NCc1ccc(-c2nnn[n-]2)cc1F ZINC000822704928 607488936 /nfs/dbraw/zinc/48/89/36/607488936.db2.gz RLOHKPZUXNQBBY-UHFFFAOYSA-N -1 3 355.421 3.399 20 0 FGADHM Cn1nc(C2CCCCC2)cc1NCc1ccc(-c2nn[n-]n2)cc1F ZINC000822704928 607488937 /nfs/dbraw/zinc/48/89/37/607488937.db2.gz RLOHKPZUXNQBBY-UHFFFAOYSA-N -1 3 355.421 3.399 20 0 FGADHM O=C([O-])c1ccc(-c2nc(CN3CCN4CCCC[C@H]4C3)cs2)cc1 ZINC000833308211 601171640 /nfs/dbraw/zinc/17/16/40/601171640.db2.gz NXQZHWJNUWYBTK-KRWDZBQOSA-N -1 3 357.479 3.178 20 0 FGADHM CC(C)N(C(=O)CN[C@H](c1ccccc1)[C@H](C)C(=O)[O-])c1ccccc1 ZINC000826044034 601201101 /nfs/dbraw/zinc/20/11/01/601201101.db2.gz BGGSVVVMZPELCF-JXFKEZNVSA-N -1 3 354.450 3.480 20 0 FGADHM CN(C)Cc1cccc(NC(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2)c1 ZINC000830619369 601299113 /nfs/dbraw/zinc/29/91/13/601299113.db2.gz DLYSYUHGBZWGOB-KRWDZBQOSA-N -1 3 359.401 3.225 20 0 FGADHM Cc1ccc(NC(=O)[C@H](c2ccccc2)N2C[C@H](C)[C@H](C(=O)[O-])C2)cc1 ZINC000832941826 601527586 /nfs/dbraw/zinc/52/75/86/601527586.db2.gz NVZRDZGRRWLQTE-IPELMVKDSA-N -1 3 352.434 3.327 20 0 FGADHM C[C@H]1CN(Cc2ncc(-c3ccc(Br)cc3)o2)C[C@@H]1C(=O)[O-] ZINC000828464301 601531529 /nfs/dbraw/zinc/53/15/29/601531529.db2.gz TYQPXODAKPNKJQ-GWCFXTLKSA-N -1 3 365.227 3.257 20 0 FGADHM C[C@@H](c1ccc(-n2cncn2)cc1)N(C)Cc1ccc(C(=O)[O-])c(F)c1 ZINC000827927760 601615123 /nfs/dbraw/zinc/61/51/23/601615123.db2.gz AQVCLPLCSYSFLT-ZDUSSCGKSA-N -1 3 354.385 3.298 20 0 FGADHM COC(=O)[C@@H](C)CN(Cc1ccccc1)Cc1ccc(C(=O)[O-])c(F)c1 ZINC000831059713 601625551 /nfs/dbraw/zinc/62/55/51/601625551.db2.gz KFXAYJFOOFPHOE-AWEZNQCLSA-N -1 3 359.397 3.335 20 0 FGADHM Cc1sc(C(=O)[O-])cc1CN1CCC(C(=O)Nc2ccc(O)cc2)CC1 ZINC000833030920 601625721 /nfs/dbraw/zinc/62/57/21/601625721.db2.gz BFHUYDSWGDXYGD-UHFFFAOYSA-N -1 3 374.462 3.311 20 0 FGADHM CCN(Cc1cc(C(=O)[O-])sc1C)Cc1ccc(C(=O)N(C)C)cc1 ZINC000829718296 601628637 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C[C@H](C(=O)Nc1ccccc1Cc1ccccc1)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000826021013 601929701 /nfs/dbraw/zinc/92/97/01/601929701.db2.gz KKZRNGDEMZCUBW-OPAMFIHVSA-N -1 3 366.461 3.401 20 0 FGADHM C[C@H]1C[C@H](NC(=O)Nc2cc(C(=O)[O-])ccc2F)CN1Cc1ccccc1 ZINC000398231296 601930160 /nfs/dbraw/zinc/93/01/60/601930160.db2.gz ZVZWKDWSKRVLMV-BBRMVZONSA-N -1 3 371.412 3.308 20 0 FGADHM O=C([O-])c1ccc(CN2CCC(NC(=O)NC3CCCCC3)CC2)s1 ZINC000833131983 601946194 /nfs/dbraw/zinc/94/61/94/601946194.db2.gz MTLSQNGPZRRQFF-UHFFFAOYSA-N -1 3 365.499 3.043 20 0 FGADHM CN(C(=O)OC(C)(C)C)C1CCN(Cc2ccc(C(=O)[O-])s2)CC1 ZINC000830518723 601953504 /nfs/dbraw/zinc/95/35/04/601953504.db2.gz HRXSLMOCNVFPEK-UHFFFAOYSA-N -1 3 354.472 3.278 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)CC[C@@H](C)c1ccccc1 ZINC000826185454 607537621 /nfs/dbraw/zinc/53/76/21/607537621.db2.gz KPEQMHJCGXSJSK-CYBMUJFWSA-N -1 3 351.410 3.398 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)CC[C@@H](C)c1ccccc1 ZINC000826185454 607537622 /nfs/dbraw/zinc/53/76/22/607537622.db2.gz KPEQMHJCGXSJSK-CYBMUJFWSA-N -1 3 351.410 3.398 20 0 FGADHM CCN1CCCC[C@H]1CNC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000829771510 602009378 /nfs/dbraw/zinc/00/93/78/602009378.db2.gz YAJCSDSXZSEWOB-AWEZNQCLSA-N -1 3 373.375 3.400 20 0 FGADHM C[C@@H]1C[C@H](NC(=O)CCc2ccc(C(=O)[O-])cc2)CN1Cc1ccccc1 ZINC000828167214 602023255 /nfs/dbraw/zinc/02/32/55/602023255.db2.gz DLAUIMBVTSWDIO-UZLBHIALSA-N -1 3 366.461 3.097 20 0 FGADHM Fc1cnc(Oc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)nc1 ZINC000826378410 607556556 /nfs/dbraw/zinc/55/65/56/607556556.db2.gz IUJKLWJYGZLGOZ-UHFFFAOYSA-N -1 3 350.313 3.380 20 0 FGADHM O=C([O-])[C@H](NCCOc1ncc(Cl)cc1Cl)c1ccccc1F ZINC000833166635 602305468 /nfs/dbraw/zinc/30/54/68/602305468.db2.gz RZSHKIJWHPGSMV-CYBMUJFWSA-N -1 3 359.184 3.322 20 0 FGADHM CCn1c(C)cc2c1CCC[C@H]2NC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000825782731 607562643 /nfs/dbraw/zinc/56/26/43/607562643.db2.gz NGWQBTCDRKQJQP-QGZVFWFLSA-N -1 3 364.453 3.112 20 0 FGADHM CCn1c(C)cc2c1CCC[C@H]2NC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000825782731 607562646 /nfs/dbraw/zinc/56/26/46/607562646.db2.gz NGWQBTCDRKQJQP-QGZVFWFLSA-N -1 3 364.453 3.112 20 0 FGADHM CCc1ccc2c(CN3CCC(CN(C)C(=O)[O-])CC3)cc(=O)oc2c1 ZINC000739542355 602386412 /nfs/dbraw/zinc/38/64/12/602386412.db2.gz PYRHGPKERKRFSO-UHFFFAOYSA-N -1 3 358.438 3.177 20 0 FGADHM Cc1cc2oc(=O)cc(CN3CCC([C@H](C)NC(=O)[O-])CC3)c2cc1C ZINC000740098446 602445209 /nfs/dbraw/zinc/44/52/09/602445209.db2.gz YEUMRFAZOXAYLQ-AWEZNQCLSA-N -1 3 358.438 3.278 20 0 FGADHM CCN(C(=O)c1cc2occc2[nH]1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825381088 607568407 /nfs/dbraw/zinc/56/84/07/607568407.db2.gz ZIUWPOXZOZYDIG-NSHDSACASA-N -1 3 350.382 3.164 20 0 FGADHM CCN(C(=O)c1cc2occc2[nH]1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825381088 607568409 /nfs/dbraw/zinc/56/84/09/607568409.db2.gz ZIUWPOXZOZYDIG-NSHDSACASA-N -1 3 350.382 3.164 20 0 FGADHM CCCC[C@@H](NC(=O)NCc1ccc(OC)c(-c2nnn[n-]2)c1)C1CCC1 ZINC000825259984 607571431 /nfs/dbraw/zinc/57/14/31/607571431.db2.gz LVJWBJIFDSAKKP-MRXNPFEDSA-N -1 3 372.473 3.033 20 0 FGADHM CCCC[C@@H](NC(=O)NCc1ccc(OC)c(-c2nn[n-]n2)c1)C1CCC1 ZINC000825259984 607571432 /nfs/dbraw/zinc/57/14/32/607571432.db2.gz LVJWBJIFDSAKKP-MRXNPFEDSA-N -1 3 372.473 3.033 20 0 FGADHM O=C([O-])Nc1ccc(CC(=O)O[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000740703139 602978711 /nfs/dbraw/zinc/97/87/11/602978711.db2.gz NZWILNKPZHXRPW-SFHVURJKSA-N -1 3 354.406 3.137 20 0 FGADHM COc1cc2c(c(CNC[C@@H](NC(=O)[O-])c3ccccc3)c1)O[C@@H](C)C2 ZINC000829124975 603175022 /nfs/dbraw/zinc/17/50/22/603175022.db2.gz OGPBNVLHZOEFQN-SCLBCKFNSA-N -1 3 356.422 3.117 20 0 FGADHM O=C([O-])Nc1cccc(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)c1 ZINC000740029455 603175500 /nfs/dbraw/zinc/17/55/00/603175500.db2.gz RGBMKFLZELHSRF-SFHVURJKSA-N -1 3 353.422 3.171 20 0 FGADHM Cc1nc2ccccc2nc1CN1CCCC[C@@H]1[C@H]1CCCN1C(=O)[O-] ZINC000740231599 603236092 /nfs/dbraw/zinc/23/60/92/603236092.db2.gz MPXXDWHOQUIXKA-RTBURBONSA-N -1 3 354.454 3.435 20 0 FGADHM C[C@H]1CN(Cc2ccc(OCc3ccncc3)cc2)CC[C@H]1NC(=O)[O-] ZINC000739195993 603412668 /nfs/dbraw/zinc/41/26/68/603412668.db2.gz ZYLWUMZGJTWXAF-HNAYVOBHSA-N -1 3 355.438 3.139 20 0 FGADHM CN(C)C(=O)Sc1ccc(CN2CCC[C@H]2CN(C)C(=O)[O-])cc1 ZINC000827974746 603737242 /nfs/dbraw/zinc/73/72/42/603737242.db2.gz DTXVEEUNPWIEPX-AWEZNQCLSA-N -1 3 351.472 3.035 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@@H]1CCSc2ccccc21 ZINC000826247581 607649892 /nfs/dbraw/zinc/64/98/92/607649892.db2.gz HVAXXTNJHNAMJA-OAHLLOKOSA-N -1 3 351.435 3.142 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@@H]1CCSc2ccccc21 ZINC000826247581 607649894 /nfs/dbraw/zinc/64/98/94/607649894.db2.gz HVAXXTNJHNAMJA-OAHLLOKOSA-N -1 3 351.435 3.142 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCCCC[C@H]1c1cccn1C ZINC000826245490 607655257 /nfs/dbraw/zinc/65/52/57/607655257.db2.gz ZMDMZVWTGIGREH-SFHVURJKSA-N -1 3 364.453 3.271 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCCCC[C@H]1c1cccn1C ZINC000826245490 607655261 /nfs/dbraw/zinc/65/52/61/607655261.db2.gz ZMDMZVWTGIGREH-SFHVURJKSA-N -1 3 364.453 3.271 20 0 FGADHM CC(C)(C)OC(=O)N1CCc2cccc(CNCC(C)(C)NC(=O)[O-])c21 ZINC000824005843 603863716 /nfs/dbraw/zinc/86/37/16/603863716.db2.gz KYGNGMIPRZZXKC-UHFFFAOYSA-N -1 3 363.458 3.120 20 0 FGADHM C[C@@H]1C[C@H](NC(=O)c2ccc(F)c(NC(=O)[O-])c2)CN1Cc1ccccc1 ZINC000825850543 603967060 /nfs/dbraw/zinc/96/70/60/603967060.db2.gz CZKYUPZOLNYPEF-CJNGLKHVSA-N -1 3 371.412 3.308 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NCCc1ccc2ccccc2c1 ZINC000826248828 607664003 /nfs/dbraw/zinc/66/40/03/607664003.db2.gz YPYTZUKETJZDMO-UHFFFAOYSA-N -1 3 357.417 3.301 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NCCc1ccc2ccccc2c1 ZINC000826248828 607664004 /nfs/dbraw/zinc/66/40/04/607664004.db2.gz YPYTZUKETJZDMO-UHFFFAOYSA-N -1 3 357.417 3.301 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@@H](C)c1ccccc1OC(C)C ZINC000826247056 607664687 /nfs/dbraw/zinc/66/46/87/607664687.db2.gz SGAJSROUAKLTBG-AWEZNQCLSA-N -1 3 365.437 3.453 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@@H](C)c1ccccc1OC(C)C ZINC000826247056 607664689 /nfs/dbraw/zinc/66/46/89/607664689.db2.gz SGAJSROUAKLTBG-AWEZNQCLSA-N -1 3 365.437 3.453 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NCCc1csc2ccccc12 ZINC000826249006 607665413 /nfs/dbraw/zinc/66/54/13/607665413.db2.gz HKQHEXAQOQSQKF-UHFFFAOYSA-N -1 3 363.446 3.362 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NCCc1csc2ccccc12 ZINC000826249006 607665415 /nfs/dbraw/zinc/66/54/15/607665415.db2.gz HKQHEXAQOQSQKF-UHFFFAOYSA-N -1 3 363.446 3.362 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccc(-c2ccccc2)cn1 ZINC000826250230 607667203 /nfs/dbraw/zinc/66/72/03/607667203.db2.gz QFTCNQDKHXHUIW-UHFFFAOYSA-N -1 3 356.389 3.489 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccc(-c2ccccc2)cn1 ZINC000826250230 607667206 /nfs/dbraw/zinc/66/72/06/607667206.db2.gz QFTCNQDKHXHUIW-UHFFFAOYSA-N -1 3 356.389 3.489 20 0 FGADHM O=C([O-])NCCCOC1CCN(Cc2cc(F)cc3cccnc32)CC1 ZINC000832633821 604109474 /nfs/dbraw/zinc/10/94/74/604109474.db2.gz XIQMHCDCXPNCBL-UHFFFAOYSA-N -1 3 361.417 3.013 20 0 FGADHM C[C@H](NC(=O)[O-])[C@H]1CCCN(Cc2cccc(SC(=O)N(C)C)c2)C1 ZINC000825262642 604187029 /nfs/dbraw/zinc/18/70/29/604187029.db2.gz BKENUYOROBBQNK-ZFWWWQNUSA-N -1 3 365.499 3.328 20 0 FGADHM O=C([O-])c1ccc(C(=O)N[C@H](CN2CCCCC2)c2ccccc2)cc1F ZINC000833125921 604287322 /nfs/dbraw/zinc/28/73/22/604287322.db2.gz HCLDPKZVDRONDJ-LJQANCHMSA-N -1 3 370.424 3.481 20 0 FGADHM Cc1csc([C@@H]2CCCCN2C(=O)c2ccc(-c3nnn[n-]3)cc2C)n1 ZINC000826320127 607683967 /nfs/dbraw/zinc/68/39/67/607683967.db2.gz HQIFMFSOYKVZGJ-HNNXBMFYSA-N -1 3 368.466 3.307 20 0 FGADHM Cc1csc([C@@H]2CCCCN2C(=O)c2ccc(-c3nn[n-]n3)cc2C)n1 ZINC000826320127 607683969 /nfs/dbraw/zinc/68/39/69/607683969.db2.gz HQIFMFSOYKVZGJ-HNNXBMFYSA-N -1 3 368.466 3.307 20 0 FGADHM CCC[C@H](C)NC(=O)[C@@H]1CCCN([C@@H](C)c2cc(C)c(C(=O)[O-])o2)C1 ZINC000829216540 604383705 /nfs/dbraw/zinc/38/37/05/604383705.db2.gz NTHSJQIRUJTCQW-SOUVJXGZSA-N -1 3 350.459 3.364 20 0 FGADHM COc1ccc(CN2Cc3ccccc3C[C@@H]2C(=O)[O-])cc1OC(F)F ZINC000820802614 604461672 /nfs/dbraw/zinc/46/16/72/604461672.db2.gz MUNMVZWHHPGPHF-OAHLLOKOSA-N -1 3 363.360 3.308 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@@H](C1CCCCC1)C(F)(F)F ZINC000826246687 607703318 /nfs/dbraw/zinc/70/33/18/607703318.db2.gz JMKBJUVDVNEJEZ-AWEZNQCLSA-N -1 3 367.375 3.416 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@@H](C1CCCCC1)C(F)(F)F ZINC000826246687 607703320 /nfs/dbraw/zinc/70/33/20/607703320.db2.gz JMKBJUVDVNEJEZ-AWEZNQCLSA-N -1 3 367.375 3.416 20 0 FGADHM Cc1c(CN2CCSC[C@H]2CC(=O)[O-])sc2nc(C)nc(C)c12 ZINC000833754962 604661731 /nfs/dbraw/zinc/66/17/31/604661731.db2.gz RSAHGXHOFFVEGZ-GFCCVEGCSA-N -1 3 351.497 3.009 20 0 FGADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(CC(=O)N[C@H]2CCCc3ccccc32)C1 ZINC000833421419 604934993 /nfs/dbraw/zinc/93/49/93/604934993.db2.gz NKMRVXYOIGHUBI-AEFFLSMTSA-N -1 3 358.482 3.003 20 0 FGADHM Cc1cc(C)c(-c2nnn[n-]2)c(N2CCS[C@H](c3ccccc3)C2)n1 ZINC000826262041 607728298 /nfs/dbraw/zinc/72/82/98/607728298.db2.gz CHWDQDJBBQRCGV-HNNXBMFYSA-N -1 3 352.467 3.173 20 0 FGADHM Cc1cc(C)c(-c2nn[n-]n2)c(N2CCS[C@H](c3ccccc3)C2)n1 ZINC000826262041 607728300 /nfs/dbraw/zinc/72/83/00/607728300.db2.gz CHWDQDJBBQRCGV-HNNXBMFYSA-N -1 3 352.467 3.173 20 0 FGADHM CCN1C[C@H](CN(C)Cc2ccccc2CC(=O)[O-])Oc2ccccc21 ZINC000833656587 605062900 /nfs/dbraw/zinc/06/29/00/605062900.db2.gz KABWTCPTMSPGOZ-SFHVURJKSA-N -1 3 354.450 3.033 20 0 FGADHM CC(C)(C)OC(=O)NC[C@@H]1CCCCN1Cc1ccccc1CC(=O)[O-] ZINC000833443060 605066854 /nfs/dbraw/zinc/06/68/54/605066854.db2.gz UNPJOUAVNAJJAA-KRWDZBQOSA-N -1 3 362.470 3.193 20 0 FGADHM C[C@H](Oc1ccc(CNC2(c3cccc(F)c3)CCOCC2)cc1)C(=O)[O-] ZINC000833538715 605112323 /nfs/dbraw/zinc/11/23/23/605112323.db2.gz FLJNODKBYVEHQM-HNNXBMFYSA-N -1 3 373.424 3.473 20 0 FGADHM CC(C)(COc1ncccc1C(F)(F)F)NCc1ccoc1C(=O)[O-] ZINC000833461733 605119102 /nfs/dbraw/zinc/11/91/02/605119102.db2.gz ITUUSBRORWRPSJ-UHFFFAOYSA-N -1 3 358.316 3.339 20 0 FGADHM C[C@@H](NCC1=C(C(=O)[O-])[C@@H](c2ccccc2)NC(=O)N1C)c1ccccc1 ZINC000833739188 605124812 /nfs/dbraw/zinc/12/48/12/605124812.db2.gz PVHIQKYQLGJRKP-AUUYWEPGSA-N -1 3 365.433 3.072 20 0 FGADHM O=C([O-])c1ccc(OC[C@H](O)CNC2(c3ccc(Cl)cc3)CC2)cc1 ZINC000833782637 605139660 /nfs/dbraw/zinc/13/96/60/605139660.db2.gz PGELGJMXWBINQO-MRXNPFEDSA-N -1 3 361.825 3.057 20 0 FGADHM COc1ccccc1NC(=O)CN[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000833736538 605179535 /nfs/dbraw/zinc/17/95/35/605179535.db2.gz OPYRVLSJMVUXPR-GOSISDBHSA-N -1 3 356.422 3.075 20 0 FGADHM C[C@@](CO)(NCc1coc(-c2ccc(C(=O)[O-])cc2)n1)C1CCCCC1 ZINC000833519509 605211066 /nfs/dbraw/zinc/21/10/66/605211066.db2.gz TUVJIHZZVMDASK-FQEVSTJZSA-N -1 3 358.438 3.461 20 0 FGADHM CN(C)C(=O)CC1CCN([C@H](C(=O)[O-])c2ccccc2C(F)(F)F)CC1 ZINC000833687817 605269493 /nfs/dbraw/zinc/26/94/93/605269493.db2.gz WDXIUMXIDSPAMP-INIZCTEOSA-N -1 3 372.387 3.021 20 0 FGADHM COc1ccc(CNC(=O)CC2CCC(C)(C)CC2)cc1-c1nnn[n-]1 ZINC000826196472 607755174 /nfs/dbraw/zinc/75/51/74/607755174.db2.gz DARNDKWKZZPUFP-UHFFFAOYSA-N -1 3 357.458 3.098 20 0 FGADHM COc1ccc(CNC(=O)CC2CCC(C)(C)CC2)cc1-c1nn[n-]n1 ZINC000826196472 607755175 /nfs/dbraw/zinc/75/51/75/607755175.db2.gz DARNDKWKZZPUFP-UHFFFAOYSA-N -1 3 357.458 3.098 20 0 FGADHM CC1([C@H]2CCCN([C@H](C(=O)[O-])c3c(F)cccc3Cl)C2)OCCO1 ZINC000833563587 605444021 /nfs/dbraw/zinc/44/40/21/605444021.db2.gz HPMGVFHGOAABJD-NHYWBVRUSA-N -1 3 357.809 3.080 20 0 FGADHM CCC[C@@H](C)CC(=O)Nc1ccc(NC(=O)OCC)c(-c2nnn[n-]2)c1 ZINC000825233599 607758795 /nfs/dbraw/zinc/75/87/95/607758795.db2.gz RIRYHQUFEIEROU-LLVKDONJSA-N -1 3 360.418 3.200 20 0 FGADHM CCC[C@@H](C)CC(=O)Nc1ccc(NC(=O)OCC)c(-c2nn[n-]n2)c1 ZINC000825233599 607758796 /nfs/dbraw/zinc/75/87/96/607758796.db2.gz RIRYHQUFEIEROU-LLVKDONJSA-N -1 3 360.418 3.200 20 0 FGADHM O=C([O-])NC[C@@H]1CCCN(Cc2cccc(OCc3ccccn3)c2)C1 ZINC000834215470 605558326 /nfs/dbraw/zinc/55/83/26/605558326.db2.gz NBXXRIOICHQVMP-KRWDZBQOSA-N -1 3 355.438 3.140 20 0 FGADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCC1(C2CC2)CC1 ZINC000824255428 607763319 /nfs/dbraw/zinc/76/33/19/607763319.db2.gz JEFIASLUUGCKPT-UHFFFAOYSA-N -1 3 368.485 3.225 20 0 FGADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCC1(C2CC2)CC1 ZINC000824255428 607763320 /nfs/dbraw/zinc/76/33/20/607763320.db2.gz JEFIASLUUGCKPT-UHFFFAOYSA-N -1 3 368.485 3.225 20 0 FGADHM O=C([O-])NC[C@H]1CCN(Cc2cc3ccccc3nc2N2CCCCC2)C1 ZINC000834226247 605577241 /nfs/dbraw/zinc/57/72/41/605577241.db2.gz VDXBLOJHPYRTLW-MRXNPFEDSA-N -1 3 368.481 3.315 20 0 FGADHM Cc1nn2c(CN(C)C3CCC(NC(=O)[O-])CC3)c(C(C)C)nc2s1 ZINC000833922162 605623012 /nfs/dbraw/zinc/62/30/12/605623012.db2.gz ZLTNQSCISWQCPS-UHFFFAOYSA-N -1 3 365.503 3.233 20 0 FGADHM O=C([O-])N1CC[C@]2(C1)C[C@@H](NCCc1ccccc1O)c1ccccc1O2 ZINC000834085174 605636994 /nfs/dbraw/zinc/63/69/94/605636994.db2.gz KWTVISBMKPFAIE-DYESRHJHSA-N -1 3 368.433 3.171 20 0 FGADHM O=C(Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)C1CCSCC1 ZINC000826459503 607769908 /nfs/dbraw/zinc/76/99/08/607769908.db2.gz MGNCAAPPMXZPIS-UHFFFAOYSA-N -1 3 372.479 3.072 20 0 FGADHM O=C(Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)C1CCSCC1 ZINC000826459503 607769909 /nfs/dbraw/zinc/76/99/09/607769909.db2.gz MGNCAAPPMXZPIS-UHFFFAOYSA-N -1 3 372.479 3.072 20 0 FGADHM O=C(Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000826459753 607770706 /nfs/dbraw/zinc/77/07/06/607770706.db2.gz YEXJWKVZFFDFRR-NHAGDIPZSA-N -1 3 366.450 3.365 20 0 FGADHM O=C(Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000826459753 607770707 /nfs/dbraw/zinc/77/07/07/607770707.db2.gz YEXJWKVZFFDFRR-NHAGDIPZSA-N -1 3 366.450 3.365 20 0 FGADHM Cc1cc(C(=O)N(CCN(C)C)Cc2ccc(F)cc2)ccc1NC(=O)[O-] ZINC000829920283 605688096 /nfs/dbraw/zinc/68/80/96/605688096.db2.gz XXEMJYLLJAVRKD-UHFFFAOYSA-N -1 3 373.428 3.428 20 0 FGADHM CC[C@H](CSc1ccccc1)NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825127369 607772185 /nfs/dbraw/zinc/77/21/85/607772185.db2.gz MILGFZMQCMFEAR-OAHLLOKOSA-N -1 3 353.451 3.167 20 0 FGADHM CC[C@H](CSc1ccccc1)NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825127369 607772186 /nfs/dbraw/zinc/77/21/86/607772186.db2.gz MILGFZMQCMFEAR-OAHLLOKOSA-N -1 3 353.451 3.167 20 0 FGADHM O=C1[C@@H](Sc2ccccc2-c2nnn[n-]2)CCN1c1cccc(Cl)c1 ZINC000823512589 606023114 /nfs/dbraw/zinc/02/31/14/606023114.db2.gz PARCSKZGUPYOSF-HNNXBMFYSA-N -1 3 371.853 3.418 20 0 FGADHM O=C1[C@@H](Sc2ccccc2-c2nn[n-]n2)CCN1c1cccc(Cl)c1 ZINC000823512589 606023117 /nfs/dbraw/zinc/02/31/17/606023117.db2.gz PARCSKZGUPYOSF-HNNXBMFYSA-N -1 3 371.853 3.418 20 0 FGADHM COc1ccc(CCC2CCN(c3ccc(-c4nnn[n-]4)nc3)CC2)cc1 ZINC000821790940 606030275 /nfs/dbraw/zinc/03/02/75/606030275.db2.gz WWQVCVIVVPIASJ-UHFFFAOYSA-N -1 3 364.453 3.120 20 0 FGADHM COc1ccc(CCC2CCN(c3ccc(-c4nn[n-]n4)nc3)CC2)cc1 ZINC000821790940 606030280 /nfs/dbraw/zinc/03/02/80/606030280.db2.gz WWQVCVIVVPIASJ-UHFFFAOYSA-N -1 3 364.453 3.120 20 0 FGADHM O=C([O-])Nc1ccccc1CC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000834271060 606043883 /nfs/dbraw/zinc/04/38/83/606043883.db2.gz FCVXJJAQSHPKHK-IBGZPJMESA-N -1 3 367.449 3.272 20 0 FGADHM C[C@@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@H](C)C2)c1cccnc1 ZINC000820727165 606054005 /nfs/dbraw/zinc/05/40/05/606054005.db2.gz HYVFNSPPVDLFHB-WDEREUQCSA-N -1 3 368.466 3.190 20 0 FGADHM C[C@@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@H](C)C2)c1cccnc1 ZINC000820727165 606054008 /nfs/dbraw/zinc/05/40/08/606054008.db2.gz HYVFNSPPVDLFHB-WDEREUQCSA-N -1 3 368.466 3.190 20 0 FGADHM Cc1noc(C(F)F)c1C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000822519764 606054272 /nfs/dbraw/zinc/05/42/72/606054272.db2.gz LAQAKPAPNPFKCG-UHFFFAOYSA-N -1 3 354.704 3.006 20 0 FGADHM Cc1noc(C(F)F)c1C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000822519764 606054276 /nfs/dbraw/zinc/05/42/76/606054276.db2.gz LAQAKPAPNPFKCG-UHFFFAOYSA-N -1 3 354.704 3.006 20 0 FGADHM CC(C)(C)OC(=O)CCC(C)(C)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC000819976065 606060384 /nfs/dbraw/zinc/06/03/84/606060384.db2.gz KIQBUASBSOJGNS-UHFFFAOYSA-N -1 3 366.853 3.228 20 0 FGADHM CC(C)(C)OC(=O)CCC(C)(C)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC000819976065 606060387 /nfs/dbraw/zinc/06/03/87/606060387.db2.gz KIQBUASBSOJGNS-UHFFFAOYSA-N -1 3 366.853 3.228 20 0 FGADHM c1ccc2nc(NC[C@@H]3CCOc4ccccc43)c(-c3nnn[n-]3)cc2c1 ZINC000823802662 606081088 /nfs/dbraw/zinc/08/10/88/606081088.db2.gz WXIKJGVLYIOJOJ-AWEZNQCLSA-N -1 3 358.405 3.393 20 0 FGADHM c1ccc2nc(NC[C@@H]3CCOc4ccccc43)c(-c3nn[n-]n3)cc2c1 ZINC000823802662 606081092 /nfs/dbraw/zinc/08/10/92/606081092.db2.gz WXIKJGVLYIOJOJ-AWEZNQCLSA-N -1 3 358.405 3.393 20 0 FGADHM CC(=Cc1ccc(F)cc1)C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000819764719 606126269 /nfs/dbraw/zinc/12/62/69/606126269.db2.gz KLAKRFSTKJQDBC-PKNBQFBNSA-N -1 3 355.348 3.211 20 0 FGADHM CC(=Cc1ccc(F)cc1)C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000819764719 606126271 /nfs/dbraw/zinc/12/62/71/606126271.db2.gz KLAKRFSTKJQDBC-PKNBQFBNSA-N -1 3 355.348 3.211 20 0 FGADHM O=C(OCc1ncc(-c2cccc(F)c2)o1)c1sccc1-c1nnn[n-]1 ZINC000823440101 606130357 /nfs/dbraw/zinc/13/03/57/606130357.db2.gz CIYHBAAEYARFKU-UHFFFAOYSA-N -1 3 371.353 3.079 20 0 FGADHM O=C(Oc1ccc(Oc2nccs2)cc1)c1sccc1-c1nnn[n-]1 ZINC000823455028 606182771 /nfs/dbraw/zinc/18/27/71/606182771.db2.gz VRKBELMXIPSMEC-UHFFFAOYSA-N -1 3 371.403 3.396 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(N(C)C)cc1 ZINC000821122940 606192611 /nfs/dbraw/zinc/19/26/11/606192611.db2.gz CPSKOHJFAWGDSD-UHFFFAOYSA-N -1 3 365.441 3.007 20 0 FGADHM CCCCN(C(=O)c1cc(-c2nnn[n-]2)cn1C)[C@H](C)c1ccccc1 ZINC000821061705 606222692 /nfs/dbraw/zinc/22/26/92/606222692.db2.gz SIHBWDZUSKIVEF-CQSZACIVSA-N -1 3 352.442 3.209 20 0 FGADHM CCCCN(C(=O)c1cc(-c2nn[n-]n2)cn1C)[C@H](C)c1ccccc1 ZINC000821061705 606222694 /nfs/dbraw/zinc/22/26/94/606222694.db2.gz SIHBWDZUSKIVEF-CQSZACIVSA-N -1 3 352.442 3.209 20 0 FGADHM CC(C)CN1C(=O)c2ccccc2N[C@H]1c1cc(-c2nnn[n-]2)cs1 ZINC000820092850 606243579 /nfs/dbraw/zinc/24/35/79/606243579.db2.gz QIYNMWNKIAEZIT-MRXNPFEDSA-N -1 3 354.439 3.151 20 0 FGADHM CC(C)CN1C(=O)c2ccccc2N[C@H]1c1cc(-c2nn[n-]n2)cs1 ZINC000820092850 606243580 /nfs/dbraw/zinc/24/35/80/606243580.db2.gz QIYNMWNKIAEZIT-MRXNPFEDSA-N -1 3 354.439 3.151 20 0 FGADHM Cc1cc(Cl)ccc1N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000822202362 606244005 /nfs/dbraw/zinc/24/40/05/606244005.db2.gz WRNUDONMMNEMBR-MRXNPFEDSA-N -1 3 368.828 3.046 20 0 FGADHM Cc1cc(Cl)ccc1N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000822202362 606244006 /nfs/dbraw/zinc/24/40/06/606244006.db2.gz WRNUDONMMNEMBR-MRXNPFEDSA-N -1 3 368.828 3.046 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1N[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000822220433 606248622 /nfs/dbraw/zinc/24/86/22/606248622.db2.gz QZGOHMLCBMFMBG-AWEZNQCLSA-N -1 3 368.828 3.046 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1N[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000822220433 606248623 /nfs/dbraw/zinc/24/86/23/606248623.db2.gz QZGOHMLCBMFMBG-AWEZNQCLSA-N -1 3 368.828 3.046 20 0 FGADHM CC[C@H](Oc1ccccc1F)C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820938455 606254294 /nfs/dbraw/zinc/25/42/94/606254294.db2.gz JALJJTDFAFFHQX-WBMJQRKESA-N -1 3 369.400 3.041 20 0 FGADHM CC[C@H](Oc1ccccc1F)C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820938455 606254297 /nfs/dbraw/zinc/25/42/97/606254297.db2.gz JALJJTDFAFFHQX-WBMJQRKESA-N -1 3 369.400 3.041 20 0 FGADHM COc1cccc(C(C)=CC(=O)OCc2cc(-c3nnn[n-]3)ccc2F)c1 ZINC000821859820 606260399 /nfs/dbraw/zinc/26/03/99/606260399.db2.gz SXYDGYQFDBIFIW-WQLSENKSSA-N -1 3 368.368 3.161 20 0 FGADHM COc1cccc(C(C)=CC(=O)OCc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC000821859820 606260401 /nfs/dbraw/zinc/26/04/01/606260401.db2.gz SXYDGYQFDBIFIW-WQLSENKSSA-N -1 3 368.368 3.161 20 0 FGADHM CSc1ccc(O[C@@H](C)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000821984064 606263064 /nfs/dbraw/zinc/26/30/64/606263064.db2.gz LVFPLUDTMXILLQ-JTQLQIEISA-N -1 3 373.413 3.134 20 0 FGADHM CSc1ccc(O[C@@H](C)C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000821984064 606263066 /nfs/dbraw/zinc/26/30/66/606263066.db2.gz LVFPLUDTMXILLQ-JTQLQIEISA-N -1 3 373.413 3.134 20 0 FGADHM CC(C)Sc1ccc([C@@H](C)NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)cc1 ZINC000820183930 606269252 /nfs/dbraw/zinc/26/92/52/606269252.db2.gz NNNOGMNNSQTJJP-LLVKDONJSA-N -1 3 356.455 3.186 20 0 FGADHM CC(C)Sc1ccc([C@@H](C)NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)cc1 ZINC000820183930 606269255 /nfs/dbraw/zinc/26/92/55/606269255.db2.gz NNNOGMNNSQTJJP-LLVKDONJSA-N -1 3 356.455 3.186 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc2ncccc2c1 ZINC000821122913 606283230 /nfs/dbraw/zinc/28/32/30/606283230.db2.gz BVKHADCMAIXCRR-UHFFFAOYSA-N -1 3 373.420 3.489 20 0 FGADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N1CCC[C@H]1c1cccc2ccccc21 ZINC000822628310 606283416 /nfs/dbraw/zinc/28/34/16/606283416.db2.gz WSBFLXUZUKORGW-SFHVURJKSA-N -1 3 372.432 3.336 20 0 FGADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N1CCC[C@H]1c1cccc2ccccc21 ZINC000822628310 606283418 /nfs/dbraw/zinc/28/34/18/606283418.db2.gz WSBFLXUZUKORGW-SFHVURJKSA-N -1 3 372.432 3.336 20 0 FGADHM O=C(CSc1cccc(-c2nnn[n-]2)c1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000823070600 606325295 /nfs/dbraw/zinc/32/52/95/606325295.db2.gz GWNQMZOEQFAXLX-CJNGLKHVSA-N -1 3 357.483 3.140 20 0 FGADHM O=C(CSc1cccc(-c2nn[n-]n2)c1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000823070600 606325297 /nfs/dbraw/zinc/32/52/97/606325297.db2.gz GWNQMZOEQFAXLX-CJNGLKHVSA-N -1 3 357.483 3.140 20 0 FGADHM CC(=O)c1cccc(NC(=O)[C@H](C)Sc2cccc(-c3nnn[n-]3)c2)c1 ZINC000819844280 606325321 /nfs/dbraw/zinc/32/53/21/606325321.db2.gz AQUFJSPOOORIPD-LBPRGKRZSA-N -1 3 367.434 3.189 20 0 FGADHM CC(=O)c1cccc(NC(=O)[C@H](C)Sc2cccc(-c3nn[n-]n3)c2)c1 ZINC000819844280 606325322 /nfs/dbraw/zinc/32/53/22/606325322.db2.gz AQUFJSPOOORIPD-LBPRGKRZSA-N -1 3 367.434 3.189 20 0 FGADHM CC[C@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)NCc1ccccc1 ZINC000820939126 606327358 /nfs/dbraw/zinc/32/73/58/606327358.db2.gz RCJXDAVRRMHWJR-INIZCTEOSA-N -1 3 353.451 3.054 20 0 FGADHM CC[C@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)NCc1ccccc1 ZINC000820939126 606327360 /nfs/dbraw/zinc/32/73/60/606327360.db2.gz RCJXDAVRRMHWJR-INIZCTEOSA-N -1 3 353.451 3.054 20 0 FGADHM CCOc1ncc(C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1Cl ZINC000821437294 606343007 /nfs/dbraw/zinc/34/30/07/606343007.db2.gz MXJDTXMGJWZFIE-JTQLQIEISA-N -1 3 373.800 3.232 20 0 FGADHM CCOc1ncc(C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC000821437294 606343008 /nfs/dbraw/zinc/34/30/08/606343008.db2.gz MXJDTXMGJWZFIE-JTQLQIEISA-N -1 3 373.800 3.232 20 0 FGADHM C[C@H](OC(=O)c1ccc(N2CC=CC2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820513062 606343019 /nfs/dbraw/zinc/34/30/19/606343019.db2.gz TUWCYRMOVPVHBV-AWEZNQCLSA-N -1 3 361.405 3.161 20 0 FGADHM C[C@H](OC(=O)c1ccc(N2CC=CC2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820513062 606343020 /nfs/dbraw/zinc/34/30/20/606343020.db2.gz TUWCYRMOVPVHBV-AWEZNQCLSA-N -1 3 361.405 3.161 20 0 FGADHM C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820643434 606343660 /nfs/dbraw/zinc/34/36/60/606343660.db2.gz WLCFDMZTVRKYSN-IUODEOHRSA-N -1 3 366.400 3.416 20 0 FGADHM C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820643434 606343663 /nfs/dbraw/zinc/34/36/63/606343663.db2.gz WLCFDMZTVRKYSN-IUODEOHRSA-N -1 3 366.400 3.416 20 0 FGADHM C[C@@H](OC(=O)c1c(F)c(F)cc(F)c1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000820500404 606345726 /nfs/dbraw/zinc/34/57/26/606345726.db2.gz FLIMDLINDXZSMC-SSDOTTSWSA-N -1 3 366.274 3.341 20 0 FGADHM C[C@@H](OC(=O)c1c(F)c(F)cc(F)c1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000820500404 606345728 /nfs/dbraw/zinc/34/57/28/606345728.db2.gz FLIMDLINDXZSMC-SSDOTTSWSA-N -1 3 366.274 3.341 20 0 FGADHM CCS[C@H]1CCCC[C@H]1NC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000821453960 606348839 /nfs/dbraw/zinc/34/88/39/606348839.db2.gz BWWUTEGWKMJBRS-KGLIPLIRSA-N -1 3 364.450 3.192 20 0 FGADHM CCS[C@H]1CCCC[C@H]1NC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000821453960 606348841 /nfs/dbraw/zinc/34/88/41/606348841.db2.gz BWWUTEGWKMJBRS-KGLIPLIRSA-N -1 3 364.450 3.192 20 0 FGADHM C[C@@H](OC(=O)[C@@H](C)Cc1ccc(F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820294556 606352343 /nfs/dbraw/zinc/35/23/43/606352343.db2.gz UOPMYAATUGGMHF-QWHCGFSZSA-N -1 3 354.385 3.489 20 0 FGADHM C[C@@H](OC(=O)[C@@H](C)Cc1ccc(F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820294556 606352344 /nfs/dbraw/zinc/35/23/44/606352344.db2.gz UOPMYAATUGGMHF-QWHCGFSZSA-N -1 3 354.385 3.489 20 0 FGADHM C[C@@H](OC(=O)c1cc(Cl)c(Cl)n1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820508746 606356585 /nfs/dbraw/zinc/35/65/85/606356585.db2.gz WWARCLRMYPXMCT-MRVPVSSYSA-N -1 3 366.208 3.430 20 0 FGADHM C[C@@H](OC(=O)c1cc(Cl)c(Cl)n1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820508746 606356587 /nfs/dbraw/zinc/35/65/87/606356587.db2.gz WWARCLRMYPXMCT-MRVPVSSYSA-N -1 3 366.208 3.430 20 0 FGADHM C[C@H](OC(=O)c1coc(Br)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820518883 606358193 /nfs/dbraw/zinc/35/81/93/606358193.db2.gz MSUSJOJJRRQSOI-QMMMGPOBSA-N -1 3 363.171 3.140 20 0 FGADHM C[C@H](OC(=O)c1coc(Br)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820518883 606358195 /nfs/dbraw/zinc/35/81/95/606358195.db2.gz MSUSJOJJRRQSOI-QMMMGPOBSA-N -1 3 363.171 3.140 20 0 FGADHM CC(C)CC(=O)COC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000820050670 606366647 /nfs/dbraw/zinc/36/66/47/606366647.db2.gz DZGKQQJOQQRAQO-UHFFFAOYSA-N -1 3 364.405 3.306 20 0 FGADHM CC(C)CC(=O)COC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000820050670 606366648 /nfs/dbraw/zinc/36/66/48/606366648.db2.gz DZGKQQJOQQRAQO-UHFFFAOYSA-N -1 3 364.405 3.306 20 0 FGADHM CCS[C@@H]1CCC[C@H](NC(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000821455572 606382565 /nfs/dbraw/zinc/38/25/65/606382565.db2.gz KOWRCHZYTIMVKM-VBNZEHGJSA-N -1 3 374.514 3.291 20 0 FGADHM CCS[C@@H]1CCC[C@H](NC(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821455572 606382567 /nfs/dbraw/zinc/38/25/67/606382567.db2.gz KOWRCHZYTIMVKM-VBNZEHGJSA-N -1 3 374.514 3.291 20 0 FGADHM CCS[C@H]1CCC[C@@H](NC(=S)Nc2ccccc2-c2nnn[n-]2)C1 ZINC000821456380 606392235 /nfs/dbraw/zinc/39/22/35/606392235.db2.gz PJJIOXHSIJVSOW-NEPJUHHUSA-N -1 3 362.528 3.217 20 0 FGADHM CCS[C@H]1CCC[C@@H](NC(=S)Nc2ccccc2-c2nn[n-]n2)C1 ZINC000821456380 606392237 /nfs/dbraw/zinc/39/22/37/606392237.db2.gz PJJIOXHSIJVSOW-NEPJUHHUSA-N -1 3 362.528 3.217 20 0 FGADHM C[C@H]1CN(C(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)C[C@@H]1C ZINC000820743019 606425372 /nfs/dbraw/zinc/42/53/72/606425372.db2.gz PHDJPXXYJRUXIC-KBPBESRZSA-N -1 3 362.437 3.338 20 0 FGADHM CCC[C@H]1C[C@H]1NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC000821034583 606441819 /nfs/dbraw/zinc/44/18/19/606441819.db2.gz PLCUANDZAMAAOT-DLBZAZTESA-N -1 3 356.474 3.223 20 0 FGADHM CCC[C@H]1C[C@H]1NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC000821034583 606441820 /nfs/dbraw/zinc/44/18/20/606441820.db2.gz PLCUANDZAMAAOT-DLBZAZTESA-N -1 3 356.474 3.223 20 0 FGADHM CC(C)(C)NC(=O)c1ccc(NCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000819922515 606442794 /nfs/dbraw/zinc/44/27/94/606442794.db2.gz KKZCELSFMIMGBA-UHFFFAOYSA-N -1 3 350.426 3.007 20 0 FGADHM CC(C)(C)NC(=O)c1ccc(NCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000819922515 606442795 /nfs/dbraw/zinc/44/27/95/606442795.db2.gz KKZCELSFMIMGBA-UHFFFAOYSA-N -1 3 350.426 3.007 20 0 FGADHM O=C1CCCN1c1ccc(CNc2cc(Cl)ccc2-c2nnn[n-]2)cc1 ZINC000823530666 606444280 /nfs/dbraw/zinc/44/42/80/606444280.db2.gz OTIFLTBPDIKSGL-UHFFFAOYSA-N -1 3 368.828 3.259 20 0 FGADHM O=C1CCCN1c1ccc(CNc2cc(Cl)ccc2-c2nn[n-]n2)cc1 ZINC000823530666 606444282 /nfs/dbraw/zinc/44/42/82/606444282.db2.gz OTIFLTBPDIKSGL-UHFFFAOYSA-N -1 3 368.828 3.259 20 0 FGADHM COc1ccc(OC(F)F)c(NCc2cc(-c3nnn[n-]3)ccc2F)c1 ZINC000821837784 606448858 /nfs/dbraw/zinc/44/88/58/606448858.db2.gz HNVNVHLGQIISAQ-UHFFFAOYSA-N -1 3 365.315 3.228 20 0 FGADHM COc1ccc(OC(F)F)c(NCc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC000821837784 606448860 /nfs/dbraw/zinc/44/88/60/606448860.db2.gz HNVNVHLGQIISAQ-UHFFFAOYSA-N -1 3 365.315 3.228 20 0 FGADHM COc1ccc(F)cc1CNc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC000821827511 606450402 /nfs/dbraw/zinc/45/04/02/606450402.db2.gz DMMWGXPQMULBTM-UHFFFAOYSA-N -1 3 357.389 3.414 20 0 FGADHM COc1ccc(F)cc1CNc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC000821827511 606450404 /nfs/dbraw/zinc/45/04/04/606450404.db2.gz DMMWGXPQMULBTM-UHFFFAOYSA-N -1 3 357.389 3.414 20 0 FGADHM C[C@H](Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000820455689 606454957 /nfs/dbraw/zinc/45/49/57/606454957.db2.gz LPBLDSCLULIESB-QMMMGPOBSA-N -1 3 355.789 3.275 20 0 FGADHM C[C@H](Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000820455689 606454958 /nfs/dbraw/zinc/45/49/58/606454958.db2.gz LPBLDSCLULIESB-QMMMGPOBSA-N -1 3 355.789 3.275 20 0 FGADHM C[C@H](Nc1cc(-c2nnn[n-]2)c2ccccc2n1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000820451070 606455027 /nfs/dbraw/zinc/45/50/27/606455027.db2.gz SGGYUNGOUYUJTM-JTQLQIEISA-N -1 3 372.392 3.170 20 0 FGADHM C[C@H](Nc1cc(-c2nn[n-]n2)c2ccccc2n1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000820451070 606455028 /nfs/dbraw/zinc/45/50/28/606455028.db2.gz SGGYUNGOUYUJTM-JTQLQIEISA-N -1 3 372.392 3.170 20 0 FGADHM O=C(O[C@@H](c1ccccc1)c1cccnc1)c1cc(-c2nnn[n-]2)cs1 ZINC000823392765 606465542 /nfs/dbraw/zinc/46/55/42/606465542.db2.gz UAKATQKJLZDDPD-INIZCTEOSA-N -1 3 363.402 3.270 20 0 FGADHM O=C(O[C@@H](c1ccccc1)c1cccnc1)c1cc(-c2nn[n-]n2)cs1 ZINC000823392765 606465544 /nfs/dbraw/zinc/46/55/44/606465544.db2.gz UAKATQKJLZDDPD-INIZCTEOSA-N -1 3 363.402 3.270 20 0 FGADHM Cc1ccccc1[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2Cl)[C@H](C)CO1 ZINC000822350793 606476030 /nfs/dbraw/zinc/47/60/30/606476030.db2.gz HDUVKBOPWLAVGK-WBMJQRKESA-N -1 3 370.844 3.190 20 0 FGADHM Cc1ccccc1[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2Cl)[C@H](C)CO1 ZINC000822350793 606476031 /nfs/dbraw/zinc/47/60/31/606476031.db2.gz HDUVKBOPWLAVGK-WBMJQRKESA-N -1 3 370.844 3.190 20 0 FGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N[C@H](C1CCCC1)C(F)(F)F ZINC000823360283 606480803 /nfs/dbraw/zinc/48/08/03/606480803.db2.gz YQKKPAFIKPQVHM-GFCCVEGCSA-N -1 3 354.336 3.109 20 0 FGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N[C@H](C1CCCC1)C(F)(F)F ZINC000823360283 606480805 /nfs/dbraw/zinc/48/08/05/606480805.db2.gz YQKKPAFIKPQVHM-GFCCVEGCSA-N -1 3 354.336 3.109 20 0 FGADHM C[C@@H]1C[C@H]1c1ccc(CN(C(=O)c2cc(-c3nnn[n-]3)cs2)C2CC2)o1 ZINC000820674715 606493210 /nfs/dbraw/zinc/49/32/10/606493210.db2.gz GIHCSMZJLXAOHB-QMTHXVAHSA-N -1 3 369.450 3.449 20 0 FGADHM C[C@@H]1C[C@H]1c1ccc(CN(C(=O)c2cc(-c3nn[n-]n3)cs2)C2CC2)o1 ZINC000820674715 606493211 /nfs/dbraw/zinc/49/32/11/606493211.db2.gz GIHCSMZJLXAOHB-QMTHXVAHSA-N -1 3 369.450 3.449 20 0 FGADHM C[C@H](c1ccc(Cl)cc1)N(C)C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820563044 606501099 /nfs/dbraw/zinc/50/10/99/606501099.db2.gz MCCFKZSUJKCXMN-GFCCVEGCSA-N -1 3 355.829 3.282 20 0 FGADHM C[C@H](c1ccc(Cl)cc1)N(C)C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820563044 606501101 /nfs/dbraw/zinc/50/11/01/606501101.db2.gz MCCFKZSUJKCXMN-GFCCVEGCSA-N -1 3 355.829 3.282 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1cccc(OC2CCCC2)c1 ZINC000823108069 606502277 /nfs/dbraw/zinc/50/22/77/606502277.db2.gz JODJLHSMZADYKM-UHFFFAOYSA-N -1 3 363.421 3.369 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1cccc(OC2CCCC2)c1 ZINC000823108069 606502279 /nfs/dbraw/zinc/50/22/79/606502279.db2.gz JODJLHSMZADYKM-UHFFFAOYSA-N -1 3 363.421 3.369 20 0 FGADHM CC[C@H](Oc1cccc(C)c1)C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820939753 606503442 /nfs/dbraw/zinc/50/34/42/606503442.db2.gz XRRSNDOHSGZUDQ-KDOFPFPSSA-N -1 3 365.437 3.210 20 0 FGADHM CC[C@H](Oc1cccc(C)c1)C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820939753 606503444 /nfs/dbraw/zinc/50/34/44/606503444.db2.gz XRRSNDOHSGZUDQ-KDOFPFPSSA-N -1 3 365.437 3.210 20 0 FGADHM C[C@H](NC(=O)c1cc(-c2nnn[n-]2)cs1)c1ccc(F)cc1Cl ZINC000820390309 606514074 /nfs/dbraw/zinc/51/40/74/606514074.db2.gz GWDWKWJJBMXVIG-ZETCQYMHSA-N -1 3 351.794 3.212 20 0 FGADHM C[C@H](NC(=O)c1cc(-c2nn[n-]n2)cs1)c1ccc(F)cc1Cl ZINC000820390309 606514075 /nfs/dbraw/zinc/51/40/75/606514075.db2.gz GWDWKWJJBMXVIG-ZETCQYMHSA-N -1 3 351.794 3.212 20 0 FGADHM O=C(N[C@@H]1CCC[C@H]1Cc1ccccc1)c1cc(-c2nnn[n-]2)cs1 ZINC000823149847 606515053 /nfs/dbraw/zinc/51/50/53/606515053.db2.gz ICJNLSVZTWHMHY-DZGCQCFKSA-N -1 3 353.451 3.069 20 0 FGADHM O=C(N[C@@H]1CCC[C@H]1Cc1ccccc1)c1cc(-c2nn[n-]n2)cs1 ZINC000823149847 606515055 /nfs/dbraw/zinc/51/50/55/606515055.db2.gz ICJNLSVZTWHMHY-DZGCQCFKSA-N -1 3 353.451 3.069 20 0 FGADHM CC(C)(C)OCc1ccc(NC(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000819951790 606548083 /nfs/dbraw/zinc/54/80/83/606548083.db2.gz WRLMAXGGAQMETC-UHFFFAOYSA-N -1 3 365.437 3.363 20 0 FGADHM CC(C)(C)OCc1ccc(NC(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000819951790 606548084 /nfs/dbraw/zinc/54/80/84/606548084.db2.gz WRLMAXGGAQMETC-UHFFFAOYSA-N -1 3 365.437 3.363 20 0 FGADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1OC(F)F)c1ccc(Cl)o1 ZINC000823421589 606558177 /nfs/dbraw/zinc/55/81/77/606558177.db2.gz DASUBLAGKJOCJM-UHFFFAOYSA-N -1 3 370.699 3.072 20 0 FGADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1OC(F)F)c1ccc(Cl)o1 ZINC000823421589 606558179 /nfs/dbraw/zinc/55/81/79/606558179.db2.gz DASUBLAGKJOCJM-UHFFFAOYSA-N -1 3 370.699 3.072 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1ccc(Oc2ccccn2)cc1 ZINC000823104377 606562293 /nfs/dbraw/zinc/56/22/93/606562293.db2.gz VRBSXIHBSKZPQC-UHFFFAOYSA-N -1 3 372.388 3.235 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1ccc(Oc2ccccn2)cc1 ZINC000823104377 606562295 /nfs/dbraw/zinc/56/22/95/606562295.db2.gz VRBSXIHBSKZPQC-UHFFFAOYSA-N -1 3 372.388 3.235 20 0 FGADHM O=C(OCc1csc(-c2ccco2)n1)c1cc(-c2nnn[n-]2)cs1 ZINC000823440498 606569355 /nfs/dbraw/zinc/56/93/55/606569355.db2.gz WLFJOZNWKVRIOM-UHFFFAOYSA-N -1 3 359.392 3.002 20 0 FGADHM O=C(OCc1csc(-c2ccco2)n1)c1cc(-c2nn[n-]n2)cs1 ZINC000823440498 606569357 /nfs/dbraw/zinc/56/93/57/606569357.db2.gz WLFJOZNWKVRIOM-UHFFFAOYSA-N -1 3 359.392 3.002 20 0 FGADHM Cc1ccc([C@@H]2CCCCCN2C(=O)Cc2cccc(-c3nnn[n-]3)c2)o1 ZINC000822233877 606569865 /nfs/dbraw/zinc/56/98/65/606569865.db2.gz XHMGFLJGYGUFPO-KRWDZBQOSA-N -1 3 365.437 3.455 20 0 FGADHM Cc1ccc([C@@H]2CCCCCN2C(=O)Cc2cccc(-c3nn[n-]n3)c2)o1 ZINC000822233877 606569867 /nfs/dbraw/zinc/56/98/67/606569867.db2.gz XHMGFLJGYGUFPO-KRWDZBQOSA-N -1 3 365.437 3.455 20 0 FGADHM C[C@H]1C[C@H](c2ccccc2F)N(C(=O)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000820668802 606575394 /nfs/dbraw/zinc/57/53/94/606575394.db2.gz WUCCDEQTDMPIJJ-SCLBCKFNSA-N -1 3 365.412 3.158 20 0 FGADHM C[C@H]1C[C@H](c2ccccc2F)N(C(=O)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000820668802 606575396 /nfs/dbraw/zinc/57/53/96/606575396.db2.gz WUCCDEQTDMPIJJ-SCLBCKFNSA-N -1 3 365.412 3.158 20 0 FGADHM CCc1ccc(CC)c(NC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000821481732 606577776 /nfs/dbraw/zinc/57/77/76/606577776.db2.gz MTCZTASGOHLPHE-UHFFFAOYSA-N -1 3 368.416 3.452 20 0 FGADHM CCc1ccc(CC)c(NC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000821481732 606577778 /nfs/dbraw/zinc/57/77/78/606577778.db2.gz MTCZTASGOHLPHE-UHFFFAOYSA-N -1 3 368.416 3.452 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OCc1ccc(C(F)(F)F)cc1 ZINC000821702054 606587186 /nfs/dbraw/zinc/58/71/86/606587186.db2.gz GGKKCTJWPFSOLA-UHFFFAOYSA-N -1 3 350.300 3.473 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OCc1ccc(C(F)(F)F)cc1 ZINC000821702054 606587187 /nfs/dbraw/zinc/58/71/87/606587187.db2.gz GGKKCTJWPFSOLA-UHFFFAOYSA-N -1 3 350.300 3.473 20 0 FGADHM CC(=O)c1cccc(OCc2ccc(-c3nnn[n-]3)cc2OC(F)F)c1 ZINC000819844291 606594063 /nfs/dbraw/zinc/59/40/63/606594063.db2.gz BASDAPGESKUCFR-UHFFFAOYSA-N -1 3 360.320 3.250 20 0 FGADHM CC(=O)c1cccc(OCc2ccc(-c3nn[n-]n3)cc2OC(F)F)c1 ZINC000819844291 606594064 /nfs/dbraw/zinc/59/40/64/606594064.db2.gz BASDAPGESKUCFR-UHFFFAOYSA-N -1 3 360.320 3.250 20 0 FGADHM Cc1cc(C)cc(-c2cc(NC(=O)Cc3cccc(-c4nnn[n-]4)c3)n[nH]2)c1 ZINC000822196635 606594436 /nfs/dbraw/zinc/59/44/36/606594436.db2.gz QSXALGOVRZPKIG-UHFFFAOYSA-N -1 3 373.420 3.055 20 0 FGADHM Cc1cc(C)cc(-c2cc(NC(=O)Cc3cccc(-c4nn[n-]n4)c3)n[nH]2)c1 ZINC000822196635 606594438 /nfs/dbraw/zinc/59/44/38/606594438.db2.gz QSXALGOVRZPKIG-UHFFFAOYSA-N -1 3 373.420 3.055 20 0 FGADHM CN(C)C(=O)Sc1ccc(CNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821577889 606596605 /nfs/dbraw/zinc/59/66/05/606596605.db2.gz BPQJPJZNZBHZIH-UHFFFAOYSA-N -1 3 354.439 3.253 20 0 FGADHM CN(C)C(=O)Sc1ccc(CNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821577889 606596607 /nfs/dbraw/zinc/59/66/07/606596607.db2.gz BPQJPJZNZBHZIH-UHFFFAOYSA-N -1 3 354.439 3.253 20 0 FGADHM COc1cccc([C@H](C)CC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000821860256 606604648 /nfs/dbraw/zinc/60/46/48/606604648.db2.gz ZMRMPZYRXZRFSI-ZIAGYGMSSA-N -1 3 365.437 3.246 20 0 FGADHM COc1cccc([C@H](C)CC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000821860256 606604649 /nfs/dbraw/zinc/60/46/49/606604649.db2.gz ZMRMPZYRXZRFSI-ZIAGYGMSSA-N -1 3 365.437 3.246 20 0 FGADHM Cc1cc(-c2nn[n-]n2)cc(C)c1OCC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000822129661 606616257 /nfs/dbraw/zinc/61/62/57/606616257.db2.gz NFEFEKZKFFVIRZ-HNNXBMFYSA-N -1 3 365.437 3.082 20 0 FGADHM Clc1ccccc1Cc1noc(Cc2cccc(-c3nnn[n-]3)c2)n1 ZINC000822585973 606620412 /nfs/dbraw/zinc/62/04/12/606620412.db2.gz PMODRAGVPUJWIA-UHFFFAOYSA-N -1 3 352.785 3.085 20 0 FGADHM Clc1ccccc1Cc1noc(Cc2cccc(-c3nn[n-]n3)c2)n1 ZINC000822585973 606620414 /nfs/dbraw/zinc/62/04/14/606620414.db2.gz PMODRAGVPUJWIA-UHFFFAOYSA-N -1 3 352.785 3.085 20 0 FGADHM COc1ccc([C@H](C)CC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC)cc1 ZINC000821777650 606630269 /nfs/dbraw/zinc/63/02/69/606630269.db2.gz KGCLUAVRDMGQOH-GFCCVEGCSA-N -1 3 367.409 3.016 20 0 FGADHM COc1ccc([C@H](C)CC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC)cc1 ZINC000821777650 606630271 /nfs/dbraw/zinc/63/02/71/606630271.db2.gz KGCLUAVRDMGQOH-GFCCVEGCSA-N -1 3 367.409 3.016 20 0 FGADHM Cn1c2ccccc2nc1[C@H]1CCCN1c1cccc(F)c1-c1nnn[n-]1 ZINC000822596013 606637423 /nfs/dbraw/zinc/63/74/23/606637423.db2.gz GGUXSEMAFIEVAG-MRXNPFEDSA-N -1 3 363.400 3.234 20 0 FGADHM Cn1c2ccccc2nc1[C@H]1CCCN1c1cccc(F)c1-c1nn[n-]n1 ZINC000822596013 606637424 /nfs/dbraw/zinc/63/74/24/606637424.db2.gz GGUXSEMAFIEVAG-MRXNPFEDSA-N -1 3 363.400 3.234 20 0 FGADHM Cc1cccc(C(C)C)c1NCC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000822288992 606638771 /nfs/dbraw/zinc/63/87/71/606638771.db2.gz OQRZNTDXZUDAHO-UHFFFAOYSA-N -1 3 364.453 3.027 20 0 FGADHM Cc1cccc(C(C)C)c1NCC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000822288992 606638772 /nfs/dbraw/zinc/63/87/72/606638772.db2.gz OQRZNTDXZUDAHO-UHFFFAOYSA-N -1 3 364.453 3.027 20 0 FGADHM Cc1nc(Cl)sc1C(=O)Nc1sc(C)c(C)c1-c1nnn[n-]1 ZINC000822450026 606645830 /nfs/dbraw/zinc/64/58/30/606645830.db2.gz ZQEOXQBCIYCLLI-UHFFFAOYSA-N -1 3 354.848 3.216 20 0 FGADHM Cc1nc(Cl)sc1C(=O)Nc1sc(C)c(C)c1-c1nn[n-]n1 ZINC000822450026 606645831 /nfs/dbraw/zinc/64/58/31/606645831.db2.gz ZQEOXQBCIYCLLI-UHFFFAOYSA-N -1 3 354.848 3.216 20 0 FGADHM Cc1nc(Cl)sc1C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000822449945 606645845 /nfs/dbraw/zinc/64/58/45/606645845.db2.gz WEZKKJXHGZHWTL-UHFFFAOYSA-N -1 3 365.850 3.094 20 0 FGADHM Cc1nc(Cl)sc1C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000822449945 606645846 /nfs/dbraw/zinc/64/58/46/606645846.db2.gz WEZKKJXHGZHWTL-UHFFFAOYSA-N -1 3 365.850 3.094 20 0 FGADHM O=C(Nc1nc2ccccc2s1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823380424 606663250 /nfs/dbraw/zinc/66/32/50/606663250.db2.gz XNQRWIUMZSUDLK-UHFFFAOYSA-N -1 3 358.333 3.007 20 0 FGADHM O=C(Nc1nc2ccccc2s1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823380424 606663251 /nfs/dbraw/zinc/66/32/51/606663251.db2.gz XNQRWIUMZSUDLK-UHFFFAOYSA-N -1 3 358.333 3.007 20 0 FGADHM COc1c(F)ccc(F)c1C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000821698303 606665370 /nfs/dbraw/zinc/66/53/70/606665370.db2.gz DUMAJFWIVTUXNR-UHFFFAOYSA-N -1 3 365.727 3.059 20 0 FGADHM COc1c(F)ccc(F)c1C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000821698303 606665371 /nfs/dbraw/zinc/66/53/71/606665371.db2.gz DUMAJFWIVTUXNR-UHFFFAOYSA-N -1 3 365.727 3.059 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)CCO[C@@H](C)CC(C)C ZINC000821389595 606666113 /nfs/dbraw/zinc/66/61/13/606666113.db2.gz PLPMPMGGXWJFGV-ZDUSSCGKSA-N -1 3 362.430 3.012 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)CCO[C@@H](C)CC(C)C ZINC000821389595 606666114 /nfs/dbraw/zinc/66/61/14/606666114.db2.gz PLPMPMGGXWJFGV-ZDUSSCGKSA-N -1 3 362.430 3.012 20 0 FGADHM C[C@H](NC(=O)CCCc1ccc(F)c(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820321543 606666984 /nfs/dbraw/zinc/66/69/84/606666984.db2.gz HZUGOJAKHBYUFO-LBPRGKRZSA-N -1 3 371.391 3.345 20 0 FGADHM C[C@H](NC(=O)CCCc1ccc(F)c(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820321543 606666985 /nfs/dbraw/zinc/66/69/85/606666985.db2.gz HZUGOJAKHBYUFO-LBPRGKRZSA-N -1 3 371.391 3.345 20 0 FGADHM CO[C@H](C)c1cccc(NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c1 ZINC000821673783 606676972 /nfs/dbraw/zinc/67/69/72/606676972.db2.gz LIFMZXLNXJRPCM-SECBINFHSA-N -1 3 359.336 3.105 20 0 FGADHM CO[C@H](C)c1cccc(NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c1 ZINC000821673783 606676973 /nfs/dbraw/zinc/67/69/73/606676973.db2.gz LIFMZXLNXJRPCM-SECBINFHSA-N -1 3 359.336 3.105 20 0 FGADHM CC[C@@](C)(NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000820852540 606678118 /nfs/dbraw/zinc/67/81/18/606678118.db2.gz CGYOEFABPMKMFG-GOSISDBHSA-N -1 3 357.364 3.200 20 0 FGADHM CC[C@@](C)(NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000820852540 606678119 /nfs/dbraw/zinc/67/81/19/606678119.db2.gz CGYOEFABPMKMFG-GOSISDBHSA-N -1 3 357.364 3.200 20 0 FGADHM Cc1cc(C)cc(C[C@@H](C)NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c1 ZINC000822196600 606682663 /nfs/dbraw/zinc/68/26/63/606682663.db2.gz PNCIJKBFHBZFHW-GFCCVEGCSA-N -1 3 371.391 3.123 20 0 FGADHM Cc1cc(C)cc(C[C@@H](C)NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c1 ZINC000822196600 606682664 /nfs/dbraw/zinc/68/26/64/606682664.db2.gz PNCIJKBFHBZFHW-GFCCVEGCSA-N -1 3 371.391 3.123 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)c1cc(F)cc(C(F)(F)F)c1 ZINC000823343737 606686187 /nfs/dbraw/zinc/68/61/87/606686187.db2.gz FRBPWHPVTVCOIC-UHFFFAOYSA-N -1 3 369.253 3.416 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)c1cc(F)cc(C(F)(F)F)c1 ZINC000823343737 606686188 /nfs/dbraw/zinc/68/61/88/606686188.db2.gz FRBPWHPVTVCOIC-UHFFFAOYSA-N -1 3 369.253 3.416 20 0 FGADHM O=C(N[C@H](c1ccccc1F)C1CCCC1)c1ccc(-c2nnn[n-]2)cn1 ZINC000823140185 606693902 /nfs/dbraw/zinc/69/39/02/606693902.db2.gz QYFYUCNRGBRKLG-KRWDZBQOSA-N -1 3 366.400 3.062 20 0 FGADHM O=C(N[C@H](c1ccccc1F)C1CCCC1)c1ccc(-c2nn[n-]n2)cn1 ZINC000823140185 606693903 /nfs/dbraw/zinc/69/39/03/606693903.db2.gz QYFYUCNRGBRKLG-KRWDZBQOSA-N -1 3 366.400 3.062 20 0 FGADHM CCN(Cc1ccsc1C(=O)OC)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821231160 606703707 /nfs/dbraw/zinc/70/37/07/606703707.db2.gz WONCATGMPMESGR-LBPRGKRZSA-N -1 3 371.466 3.298 20 0 FGADHM CC1(C)C[C@H](NC(=O)Nc2ccc(-c3nnn[n-]3)cc2)c2ccccc2O1 ZINC000820589527 606722210 /nfs/dbraw/zinc/72/22/10/606722210.db2.gz HKYCYXGZWMVLPI-HNNXBMFYSA-N -1 3 364.409 3.291 20 0 FGADHM CC1(C)C[C@H](NC(=O)Nc2ccc(-c3nn[n-]n3)cc2)c2ccccc2O1 ZINC000820589527 606722212 /nfs/dbraw/zinc/72/22/12/606722212.db2.gz HKYCYXGZWMVLPI-HNNXBMFYSA-N -1 3 364.409 3.291 20 0 FGADHM CC(C)c1cccc(COC(=O)CSc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000820197488 606737411 /nfs/dbraw/zinc/73/74/11/606737411.db2.gz JZHVHZZBTWRFRB-UHFFFAOYSA-N -1 3 369.450 3.221 20 0 FGADHM CC(C)c1cccc(COC(=O)CSc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000820197488 606737413 /nfs/dbraw/zinc/73/74/13/606737413.db2.gz JZHVHZZBTWRFRB-UHFFFAOYSA-N -1 3 369.450 3.221 20 0 FGADHM CC[C@@H](OC1CCCCC1)C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820938469 606768031 /nfs/dbraw/zinc/76/80/31/606768031.db2.gz JOLVXZZAOIJASU-MRXNPFEDSA-N -1 3 362.405 3.177 20 0 FGADHM CC[C@@H](OC1CCCCC1)C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820938469 606768033 /nfs/dbraw/zinc/76/80/33/606768033.db2.gz JOLVXZZAOIJASU-MRXNPFEDSA-N -1 3 362.405 3.177 20 0 FGADHM Cc1cc(C(F)(F)F)c(-c2nnn[n-]2)c(SC[C@@H]2CCCOC2)n1 ZINC000822190816 606768927 /nfs/dbraw/zinc/76/89/27/606768927.db2.gz BKQBEOSJZVFTTN-SECBINFHSA-N -1 3 359.377 3.108 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)Nc1ccccc1OCC(F)F ZINC000823309379 606783948 /nfs/dbraw/zinc/78/39/48/606783948.db2.gz XVYQMKODLJVMET-UHFFFAOYSA-N -1 3 360.324 3.155 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)Nc1ccccc1OCC(F)F ZINC000823309379 606783950 /nfs/dbraw/zinc/78/39/50/606783950.db2.gz XVYQMKODLJVMET-UHFFFAOYSA-N -1 3 360.324 3.155 20 0 FGADHM Fc1cccc(NCCOc2ncc(Cl)cc2Cl)c1-c1nnn[n-]1 ZINC000822791020 606792344 /nfs/dbraw/zinc/79/23/44/606792344.db2.gz DSOZIUZLLYADSM-UHFFFAOYSA-N -1 3 369.187 3.199 20 0 FGADHM Fc1cccc(NCCOc2ncc(Cl)cc2Cl)c1-c1nn[n-]n1 ZINC000822791020 606792346 /nfs/dbraw/zinc/79/23/46/606792346.db2.gz DSOZIUZLLYADSM-UHFFFAOYSA-N -1 3 369.187 3.199 20 0 FGADHM O=C(NCCCOc1ccc2ccccc2c1)c1cccc(-c2nnn[n-]2)c1 ZINC000823197999 606803627 /nfs/dbraw/zinc/80/36/27/606803627.db2.gz XBRCQRLFWOIIKG-UHFFFAOYSA-N -1 3 373.416 3.219 20 0 FGADHM O=C(NCCCOc1ccc2ccccc2c1)c1cccc(-c2nn[n-]n2)c1 ZINC000823197999 606803629 /nfs/dbraw/zinc/80/36/29/606803629.db2.gz XBRCQRLFWOIIKG-UHFFFAOYSA-N -1 3 373.416 3.219 20 0 FGADHM C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)CNc1cccc(-c2nnn[n-]2)c1 ZINC000820563065 606826078 /nfs/dbraw/zinc/82/60/78/606826078.db2.gz MVNZGRVJBGLBPZ-LBPRGKRZSA-N -1 3 370.844 3.152 20 0 FGADHM C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)CNc1cccc(-c2nn[n-]n2)c1 ZINC000820563065 606826079 /nfs/dbraw/zinc/82/60/79/606826079.db2.gz MVNZGRVJBGLBPZ-LBPRGKRZSA-N -1 3 370.844 3.152 20 0 FGADHM O=C(CSCc1ccsc1)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000823061018 606827578 /nfs/dbraw/zinc/82/75/78/606827578.db2.gz RZQVWMXRFXCSEQ-UHFFFAOYSA-N -1 3 365.871 3.454 20 0 FGADHM O=C(CSCc1ccsc1)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000823061018 606827579 /nfs/dbraw/zinc/82/75/79/606827579.db2.gz RZQVWMXRFXCSEQ-UHFFFAOYSA-N -1 3 365.871 3.454 20 0 FGADHM COCCCOC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000821687635 606830607 /nfs/dbraw/zinc/83/06/07/606830607.db2.gz IDURGPNSIZHKGK-UHFFFAOYSA-N -1 3 368.393 3.161 20 0 FGADHM COCCCOC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000821687635 606830608 /nfs/dbraw/zinc/83/06/08/606830608.db2.gz IDURGPNSIZHKGK-UHFFFAOYSA-N -1 3 368.393 3.161 20 0 FGADHM CN(CC(F)F)C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000821595246 606833643 /nfs/dbraw/zinc/83/36/43/606833643.db2.gz QJOOOEMKKMTLES-UHFFFAOYSA-N -1 3 374.351 3.388 20 0 FGADHM CN(CC(F)F)C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000821595246 606833644 /nfs/dbraw/zinc/83/36/44/606833644.db2.gz QJOOOEMKKMTLES-UHFFFAOYSA-N -1 3 374.351 3.388 20 0 FGADHM CC1(C)CN(C(=S)Nc2ccccc2-c2nnn[n-]2)c2ccccc21 ZINC000820601919 606860245 /nfs/dbraw/zinc/86/02/45/606860245.db2.gz UTNTVGMPTVTZAL-UHFFFAOYSA-N -1 3 350.451 3.361 20 0 FGADHM CC1(C)CN(C(=S)Nc2ccccc2-c2nn[n-]n2)c2ccccc21 ZINC000820601919 606860246 /nfs/dbraw/zinc/86/02/46/606860246.db2.gz UTNTVGMPTVTZAL-UHFFFAOYSA-N -1 3 350.451 3.361 20 0 FGADHM c1ccc(N[C@H]2CCCN(c3nc4ccccc4cc3-c3nnn[n-]3)C2)cc1 ZINC000823786720 606876481 /nfs/dbraw/zinc/87/64/81/606876481.db2.gz CQVQVCAWZWTQIZ-KRWDZBQOSA-N -1 3 371.448 3.496 20 0 FGADHM c1ccc(N[C@H]2CCCN(c3nc4ccccc4cc3-c3nn[n-]n3)C2)cc1 ZINC000823786720 606876482 /nfs/dbraw/zinc/87/64/82/606876482.db2.gz CQVQVCAWZWTQIZ-KRWDZBQOSA-N -1 3 371.448 3.496 20 0 FGADHM FC1(F)CC[C@@H](Nc2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)C1 ZINC000822736601 606881648 /nfs/dbraw/zinc/88/16/48/606881648.db2.gz ICLGUUBMQQWARG-SECBINFHSA-N -1 3 350.760 3.090 20 0 FGADHM FC1(F)CC[C@@H](Nc2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)C1 ZINC000822736601 606881649 /nfs/dbraw/zinc/88/16/49/606881649.db2.gz ICLGUUBMQQWARG-SECBINFHSA-N -1 3 350.760 3.090 20 0 FGADHM Fc1cc(F)c2ncc(-c3nnn[n-]3)c(N[C@H]3CCC(F)(F)C3)c2c1 ZINC000822753940 606882255 /nfs/dbraw/zinc/88/22/55/606882255.db2.gz SEMYHGGWFAONAP-QMMMGPOBSA-N -1 3 352.295 3.293 20 0 FGADHM Fc1cc(F)c2ncc(-c3nn[n-]n3)c(N[C@H]3CCC(F)(F)C3)c2c1 ZINC000822753940 606882257 /nfs/dbraw/zinc/88/22/57/606882257.db2.gz SEMYHGGWFAONAP-QMMMGPOBSA-N -1 3 352.295 3.293 20 0 FGADHM CCS[C@H]1CC[C@@H](N(C)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000821446430 606908127 /nfs/dbraw/zinc/90/81/27/606908127.db2.gz AKUYWAQAIKJPMU-NEPJUHHUSA-N -1 3 364.450 3.144 20 0 FGADHM CCS[C@H]1CC[C@@H](N(C)C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000821446430 606908129 /nfs/dbraw/zinc/90/81/29/606908129.db2.gz AKUYWAQAIKJPMU-NEPJUHHUSA-N -1 3 364.450 3.144 20 0 FGADHM CCC(=O)c1ccc(Oc2nnc(CC)c(CC)c2-c2nnn[n-]2)cc1 ZINC000820842349 606915714 /nfs/dbraw/zinc/91/57/14/606915714.db2.gz MFDSWCSGIPKMOV-UHFFFAOYSA-N -1 3 352.398 3.167 20 0 FGADHM CCc1nnc(N[C@@H](C)c2ccc(F)c(F)c2)c(-c2nnn[n-]2)c1CC ZINC000821529565 606917694 /nfs/dbraw/zinc/91/76/94/606917694.db2.gz XBVOGAFHQIMFEU-VIFPVBQESA-N -1 3 359.384 3.233 20 0 FGADHM CCc1nnc(N[C@@H](C)c2ccc(F)c(F)c2)c(-c2nn[n-]n2)c1CC ZINC000821529565 606917696 /nfs/dbraw/zinc/91/76/96/606917696.db2.gz XBVOGAFHQIMFEU-VIFPVBQESA-N -1 3 359.384 3.233 20 0 FGADHM FC(F)(F)c1ccc(NCc2cn3ccccc3n2)c(-c2nnn[n-]2)c1 ZINC000822727925 606918232 /nfs/dbraw/zinc/91/82/32/606918232.db2.gz CBRGPCVRIAJDHE-UHFFFAOYSA-N -1 3 359.315 3.145 20 0 FGADHM FC(F)(F)c1ccc(NCc2cn3ccccc3n2)c(-c2nn[n-]n2)c1 ZINC000822727925 606918233 /nfs/dbraw/zinc/91/82/33/606918233.db2.gz CBRGPCVRIAJDHE-UHFFFAOYSA-N -1 3 359.315 3.145 20 0 FGADHM CCc1nnc(NCc2c(F)cccc2Cl)c(-c2nnn[n-]2)c1CC ZINC000821542041 606925545 /nfs/dbraw/zinc/92/55/45/606925545.db2.gz GZOPSCCZTWTNFM-UHFFFAOYSA-N -1 3 361.812 3.186 20 0 FGADHM CCc1nnc(NCc2c(F)cccc2Cl)c(-c2nn[n-]n2)c1CC ZINC000821542041 606925546 /nfs/dbraw/zinc/92/55/46/606925546.db2.gz GZOPSCCZTWTNFM-UHFFFAOYSA-N -1 3 361.812 3.186 20 0 FGADHM Cc1noc(C)c1CCNc1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000822523742 606934664 /nfs/dbraw/zinc/93/46/64/606934664.db2.gz SVMLSARFHJZJPR-UHFFFAOYSA-N -1 3 352.320 3.145 20 0 FGADHM Cc1noc(C)c1CCNc1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000822523742 606934665 /nfs/dbraw/zinc/93/46/65/606934665.db2.gz SVMLSARFHJZJPR-UHFFFAOYSA-N -1 3 352.320 3.145 20 0 FGADHM O[C@H](CNc1ccc(C(F)(F)F)cc1-c1nnn[n-]1)c1ccsc1 ZINC000823689504 606937511 /nfs/dbraw/zinc/93/75/11/606937511.db2.gz GOQAWZYXXYUCKA-GFCCVEGCSA-N -1 3 355.345 3.093 20 0 FGADHM O[C@H](CNc1ccc(C(F)(F)F)cc1-c1nn[n-]n1)c1ccsc1 ZINC000823689504 606937513 /nfs/dbraw/zinc/93/75/13/606937513.db2.gz GOQAWZYXXYUCKA-GFCCVEGCSA-N -1 3 355.345 3.093 20 0 FGADHM O=C(N[C@@H]1CCC(F)(F)C1)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000823145666 606944144 /nfs/dbraw/zinc/94/41/44/606944144.db2.gz SJAKSLBUZWNYBP-GFCCVEGCSA-N -1 3 369.375 3.451 20 0 FGADHM O=C(N[C@@H]1CCC(F)(F)C1)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000823145666 606944145 /nfs/dbraw/zinc/94/41/45/606944145.db2.gz SJAKSLBUZWNYBP-GFCCVEGCSA-N -1 3 369.375 3.451 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCOC2(C1)CCCCCC2 ZINC000822217598 606952828 /nfs/dbraw/zinc/95/28/28/606952828.db2.gz IZWQKTSUQMHHRT-UHFFFAOYSA-N -1 3 370.457 3.132 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCOC2(C1)CCCCCC2 ZINC000822217598 606952829 /nfs/dbraw/zinc/95/28/29/606952829.db2.gz IZWQKTSUQMHHRT-UHFFFAOYSA-N -1 3 370.457 3.132 20 0 FGADHM O=C(COC/C=C\c1ccccc1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000823031937 606957653 /nfs/dbraw/zinc/95/76/53/606957653.db2.gz KMQRDYHUVORACQ-DAXSKMNVSA-N -1 3 369.812 3.189 20 0 FGADHM O=C(COC/C=C\c1ccccc1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000823031937 606957655 /nfs/dbraw/zinc/95/76/55/606957655.db2.gz KMQRDYHUVORACQ-DAXSKMNVSA-N -1 3 369.812 3.189 20 0 FGADHM CN(C(=O)c1ccc(F)c(F)c1F)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821574676 606964677 /nfs/dbraw/zinc/96/46/77/606964677.db2.gz RMOSHPSBVOZBAL-UHFFFAOYSA-N -1 3 367.718 3.214 20 0 FGADHM CN(C(=O)c1ccc(F)c(F)c1F)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821574676 606964679 /nfs/dbraw/zinc/96/46/79/606964679.db2.gz RMOSHPSBVOZBAL-UHFFFAOYSA-N -1 3 367.718 3.214 20 0 FGADHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccccc1Cl ZINC000820001715 606976510 /nfs/dbraw/zinc/97/65/10/606976510.db2.gz ZUSWMEYYSGJKRK-UHFFFAOYSA-N -1 3 357.801 3.316 20 0 FGADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccccc1Cl ZINC000820001715 606976512 /nfs/dbraw/zinc/97/65/12/606976512.db2.gz ZUSWMEYYSGJKRK-UHFFFAOYSA-N -1 3 357.801 3.316 20 0 FGADHM CCC1(CC)[C@H](N(C)C(=S)Nc2ccccc2-c2nnn[n-]2)C[C@@H]1OC ZINC000820957049 606978331 /nfs/dbraw/zinc/97/83/31/606978331.db2.gz MPYYZZAMEAJNGT-CABCVRRESA-N -1 3 374.514 3.089 20 0 FGADHM CCC1(CC)[C@H](N(C)C(=S)Nc2ccccc2-c2nn[n-]n2)C[C@@H]1OC ZINC000820957049 606978333 /nfs/dbraw/zinc/97/83/33/606978333.db2.gz MPYYZZAMEAJNGT-CABCVRRESA-N -1 3 374.514 3.089 20 0 FGADHM CCC[C@@H](NC(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1F ZINC000821020516 606981715 /nfs/dbraw/zinc/98/17/15/606981715.db2.gz CQFBMFSZEDGJFR-QGZVFWFLSA-N -1 3 371.391 3.345 20 0 FGADHM CCC[C@@H](NC(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1F ZINC000821020516 606981717 /nfs/dbraw/zinc/98/17/17/606981717.db2.gz CQFBMFSZEDGJFR-QGZVFWFLSA-N -1 3 371.391 3.345 20 0 FGADHM COc1ccccc1C(C)=CC(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000821883575 606998315 /nfs/dbraw/zinc/99/83/15/606998315.db2.gz XRWGNTAHRRJRQJ-XFXZXTDPSA-N -1 3 368.368 3.161 20 0 FGADHM COc1ccccc1C(C)=CC(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821883575 606998317 /nfs/dbraw/zinc/99/83/17/606998317.db2.gz XRWGNTAHRRJRQJ-XFXZXTDPSA-N -1 3 368.368 3.161 20 0 FGADHM Fc1ccc(CSc2n[nH]c(Cc3cccs3)n2)cc1-c1nnn[n-]1 ZINC000822774761 607008926 /nfs/dbraw/zinc/00/89/26/607008926.db2.gz NRSDBAXZLMYSIH-UHFFFAOYSA-N -1 3 373.442 3.069 20 0 FGADHM Fc1ccc(CSc2n[nH]c(Cc3cccs3)n2)cc1-c1nn[n-]n1 ZINC000822774761 607008927 /nfs/dbraw/zinc/00/89/27/607008927.db2.gz NRSDBAXZLMYSIH-UHFFFAOYSA-N -1 3 373.442 3.069 20 0 FGADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)C[C@@H](C)c1ccncc1 ZINC000821699539 607016842 /nfs/dbraw/zinc/01/68/42/607016842.db2.gz UCOWEMGZWXFJSS-SNVBAGLBSA-N -1 3 373.800 3.023 20 0 FGADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)C[C@@H](C)c1ccncc1 ZINC000821699539 607016843 /nfs/dbraw/zinc/01/68/43/607016843.db2.gz UCOWEMGZWXFJSS-SNVBAGLBSA-N -1 3 373.800 3.023 20 0 FGADHM Fc1ccc(-c2nnn[n-]2)c(CSc2ccc3c(c2)OCCCO3)c1 ZINC000822757984 607038833 /nfs/dbraw/zinc/03/88/33/607038833.db2.gz IOSFVNSLZQTOHT-UHFFFAOYSA-N -1 3 358.398 3.459 20 0 FGADHM Fc1ccc(-c2nn[n-]n2)c(CSc2ccc3c(c2)OCCCO3)c1 ZINC000822757984 607038834 /nfs/dbraw/zinc/03/88/34/607038834.db2.gz IOSFVNSLZQTOHT-UHFFFAOYSA-N -1 3 358.398 3.459 20 0 FGADHM COc1cccc([C@H]2CN(c3c(Cl)cccc3-c3nnn[n-]3)CCO2)c1 ZINC000821862890 607039769 /nfs/dbraw/zinc/03/97/69/607039769.db2.gz GDRJOOKFIHCDDA-MRXNPFEDSA-N -1 3 371.828 3.107 20 0 FGADHM COc1cccc([C@H]2CN(c3c(Cl)cccc3-c3nn[n-]n3)CCO2)c1 ZINC000821862890 607039770 /nfs/dbraw/zinc/03/97/70/607039770.db2.gz GDRJOOKFIHCDDA-MRXNPFEDSA-N -1 3 371.828 3.107 20 0 FGADHM CCC1(CC)CCN(C(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820955976 607060885 /nfs/dbraw/zinc/06/08/85/607060885.db2.gz GLQKTEGIFWLTKA-UHFFFAOYSA-N -1 3 357.458 3.063 20 0 FGADHM CCC1(CC)CCN(C(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820955976 607060887 /nfs/dbraw/zinc/06/08/87/607060887.db2.gz GLQKTEGIFWLTKA-UHFFFAOYSA-N -1 3 357.458 3.063 20 0 FGADHM Fc1ccc(-c2nnn[n-]2)c(CN2CCO[C@@H](c3ccccc3Cl)C2)c1 ZINC000822758202 607064771 /nfs/dbraw/zinc/06/47/71/607064771.db2.gz LKSSNTMTENBHCW-QGZVFWFLSA-N -1 3 373.819 3.233 20 0 FGADHM Fc1ccc(-c2nn[n-]n2)c(CN2CCO[C@@H](c3ccccc3Cl)C2)c1 ZINC000822758202 607064773 /nfs/dbraw/zinc/06/47/73/607064773.db2.gz LKSSNTMTENBHCW-QGZVFWFLSA-N -1 3 373.819 3.233 20 0 FGADHM C[C@@H]1CN(Cc2cc(F)ccc2-c2nnn[n-]2)C[C@@H](c2ccc(F)cc2)O1 ZINC000820758756 607067775 /nfs/dbraw/zinc/06/77/75/607067775.db2.gz CNODKQQYGYBBIQ-XIKOKIGWSA-N -1 3 371.391 3.107 20 0 FGADHM C[C@@H]1CN(Cc2cc(F)ccc2-c2nn[n-]n2)C[C@@H](c2ccc(F)cc2)O1 ZINC000820758756 607067777 /nfs/dbraw/zinc/06/77/77/607067777.db2.gz CNODKQQYGYBBIQ-XIKOKIGWSA-N -1 3 371.391 3.107 20 0 FGADHM Cc1ccccc1[C@@H]1CN(Cc2cc(F)ccc2-c2nn[n-]n2)[C@@H](C)CO1 ZINC000822351742 607070597 /nfs/dbraw/zinc/07/05/97/607070597.db2.gz PTVUWNUFKMJMKP-LIRRHRJNSA-N -1 3 367.428 3.276 20 0 FGADHM C[C@H](NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1)c1cnccn1 ZINC000820433372 607070848 /nfs/dbraw/zinc/07/08/48/607070848.db2.gz YDSKSDWTLLYNPI-LBPRGKRZSA-N -1 3 363.450 3.236 20 0 FGADHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)c1cc(Cl)ccc1F ZINC000823413843 607076904 /nfs/dbraw/zinc/07/69/04/607076904.db2.gz OKJYQWVAANPGLQ-UHFFFAOYSA-N -1 3 350.712 3.155 20 0 FGADHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)c1cc(Cl)ccc1F ZINC000823413843 607076907 /nfs/dbraw/zinc/07/69/07/607076907.db2.gz OKJYQWVAANPGLQ-UHFFFAOYSA-N -1 3 350.712 3.155 20 0 FGADHM C[C@@H](SCc1ccccc1)C(=O)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000820549495 607078727 /nfs/dbraw/zinc/07/87/27/607078727.db2.gz NTNBJGRGNQZLIX-GFCCVEGCSA-N -1 3 372.425 3.371 20 0 FGADHM C[C@@H](SCc1ccccc1)C(=O)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000820549495 607078729 /nfs/dbraw/zinc/07/87/29/607078729.db2.gz NTNBJGRGNQZLIX-GFCCVEGCSA-N -1 3 372.425 3.371 20 0 FGADHM C[C@@H](CSc1ccccc1)C(=O)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000820293491 607082241 /nfs/dbraw/zinc/08/22/41/607082241.db2.gz KTPIHYMMTZJGTR-LBPRGKRZSA-N -1 3 372.425 3.477 20 0 FGADHM C[C@@H](CSc1ccccc1)C(=O)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000820293491 607082243 /nfs/dbraw/zinc/08/22/43/607082243.db2.gz KTPIHYMMTZJGTR-LBPRGKRZSA-N -1 3 372.425 3.477 20 0 FGADHM O=C(C[C@H]1CCc2ccccc21)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000822945480 607084588 /nfs/dbraw/zinc/08/45/88/607084588.db2.gz GWBWFJIMOUZRRL-CYBMUJFWSA-N -1 3 352.369 3.169 20 0 FGADHM O=C(C[C@H]1CCc2ccccc21)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000822945480 607084590 /nfs/dbraw/zinc/08/45/90/607084590.db2.gz GWBWFJIMOUZRRL-CYBMUJFWSA-N -1 3 352.369 3.169 20 0 FGADHM CC[C@@H](Cc1ccccc1)N(CC)C(=O)c1sccc1-c1nnn[n-]1 ZINC000820914570 607089163 /nfs/dbraw/zinc/08/91/63/607089163.db2.gz PDHLGSWSFPGHQQ-AWEZNQCLSA-N -1 3 355.467 3.412 20 0 FGADHM CC[C@@H](Cc1ccccc1)N(CC)C(=O)c1sccc1-c1nn[n-]n1 ZINC000820914570 607089165 /nfs/dbraw/zinc/08/91/65/607089165.db2.gz PDHLGSWSFPGHQQ-AWEZNQCLSA-N -1 3 355.467 3.412 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@@H](CC(C)C)C1 ZINC000821763246 607094439 /nfs/dbraw/zinc/09/44/39/607094439.db2.gz WVRTXYFMAFXXMD-ZDUSSCGKSA-N -1 3 358.446 3.165 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@@H](CC(C)C)C1 ZINC000821763246 607094442 /nfs/dbraw/zinc/09/44/42/607094442.db2.gz WVRTXYFMAFXXMD-ZDUSSCGKSA-N -1 3 358.446 3.165 20 0 FGADHM Cc1cccc([C@@H](O)CNc2ccc(C(F)(F)F)cc2-c2nnn[n-]2)c1 ZINC000822289571 607127637 /nfs/dbraw/zinc/12/76/37/607127637.db2.gz ZUNKWAZVBCSMOG-HNNXBMFYSA-N -1 3 363.343 3.339 20 0 FGADHM Cc1cccc([C@@H](O)CNc2ccc(C(F)(F)F)cc2-c2nn[n-]n2)c1 ZINC000822289571 607127638 /nfs/dbraw/zinc/12/76/38/607127638.db2.gz ZUNKWAZVBCSMOG-HNNXBMFYSA-N -1 3 363.343 3.339 20 0 FGADHM Fc1ccc(F)c2c1ncc(-c1nnn[n-]1)c2N[C@H]1CCCC(F)(F)C1 ZINC000822774611 607131128 /nfs/dbraw/zinc/13/11/28/607131128.db2.gz NPXMFBKGCJVABH-QMMMGPOBSA-N -1 3 366.322 3.105 20 0 FGADHM Fc1ccc(F)c2c1ncc(-c1nn[n-]n1)c2N[C@H]1CCCC(F)(F)C1 ZINC000822774611 607131129 /nfs/dbraw/zinc/13/11/29/607131129.db2.gz NPXMFBKGCJVABH-QMMMGPOBSA-N -1 3 366.322 3.105 20 0 FGADHM C[C@H](Oc1ccc(-c2nnn[n-]2)cc1F)c1nc(Cc2ccccc2)no1 ZINC000820534247 607134310 /nfs/dbraw/zinc/13/43/10/607134310.db2.gz KNIXTMAQWBSLDT-NSHDSACASA-N -1 3 366.356 3.120 20 0 FGADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1F)c1nc(Cc2ccccc2)no1 ZINC000820534247 607134312 /nfs/dbraw/zinc/13/43/12/607134312.db2.gz KNIXTMAQWBSLDT-NSHDSACASA-N -1 3 366.356 3.120 20 0 FGADHM CCCn1nc(C)c(C(=O)Nc2sc(C)c(CC)c2-c2nnn[n-]2)c1C ZINC000821147380 607143539 /nfs/dbraw/zinc/14/35/39/607143539.db2.gz FKOYIHMGYONTTE-UHFFFAOYSA-N -1 3 373.486 3.275 20 0 FGADHM CCCn1nc(C)c(C(=O)Nc2sc(C)c(CC)c2-c2nn[n-]n2)c1C ZINC000821147380 607143540 /nfs/dbraw/zinc/14/35/40/607143540.db2.gz FKOYIHMGYONTTE-UHFFFAOYSA-N -1 3 373.486 3.275 20 0 FGADHM Cc1sc(NC(=O)[C@H](C)COc2ccccc2)c(-c2nnn[n-]2)c1C ZINC000822556312 607151637 /nfs/dbraw/zinc/15/16/37/607151637.db2.gz BHYHQYVLODUWBH-SNVBAGLBSA-N -1 3 357.439 3.199 20 0 FGADHM Cc1sc(NC(=O)[C@H](C)COc2ccccc2)c(-c2nn[n-]n2)c1C ZINC000822556312 607151638 /nfs/dbraw/zinc/15/16/38/607151638.db2.gz BHYHQYVLODUWBH-SNVBAGLBSA-N -1 3 357.439 3.199 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cc(C)c(CC)o1 ZINC000821104832 607153630 /nfs/dbraw/zinc/15/36/30/607153630.db2.gz SIFJOXVONWCBGD-UHFFFAOYSA-N -1 3 353.426 3.383 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cc(C)c(CC)o1 ZINC000821104832 607153631 /nfs/dbraw/zinc/15/36/31/607153631.db2.gz SIFJOXVONWCBGD-UHFFFAOYSA-N -1 3 353.426 3.383 20 0 FGADHM O=C(Cc1ccc(F)cc1Cl)OCc1cc(-c2nnn[n-]2)ccc1F ZINC000823082847 607155616 /nfs/dbraw/zinc/15/56/16/607155616.db2.gz SXUSASSJZFCJTP-UHFFFAOYSA-N -1 3 364.739 3.084 20 0 FGADHM O=C(Cc1ccc(F)cc1Cl)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000823082847 607155618 /nfs/dbraw/zinc/15/56/18/607155618.db2.gz SXUSASSJZFCJTP-UHFFFAOYSA-N -1 3 364.739 3.084 20 0 FGADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)[C@@H](C)COc2ccccc2)s1 ZINC000821465088 607157203 /nfs/dbraw/zinc/15/72/03/607157203.db2.gz BCSFPUKZVMEHHT-NSHDSACASA-N -1 3 357.439 3.144 20 0 FGADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)[C@@H](C)COc2ccccc2)s1 ZINC000821465088 607157204 /nfs/dbraw/zinc/15/72/04/607157204.db2.gz BCSFPUKZVMEHHT-NSHDSACASA-N -1 3 357.439 3.144 20 0 FGADHM CC(C)CC[C@@H]1CCCN1C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000820072511 607163766 /nfs/dbraw/zinc/16/37/66/607163766.db2.gz IGHOBXYSUQUHLP-HNNXBMFYSA-N -1 3 359.499 3.386 20 0 FGADHM CC(C)CC[C@@H]1CCCN1C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000820072511 607163767 /nfs/dbraw/zinc/16/37/67/607163767.db2.gz IGHOBXYSUQUHLP-HNNXBMFYSA-N -1 3 359.499 3.386 20 0 FGADHM Cc1cc(C)c(NCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)c(C)c1 ZINC000822194331 607167090 /nfs/dbraw/zinc/16/70/90/607167090.db2.gz SJLNLVBNSXEUCU-UHFFFAOYSA-N -1 3 361.409 3.454 20 0 FGADHM Cc1cc(C)c(NCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)c(C)c1 ZINC000822194331 607167091 /nfs/dbraw/zinc/16/70/91/607167091.db2.gz SJLNLVBNSXEUCU-UHFFFAOYSA-N -1 3 361.409 3.454 20 0 FGADHM CCC(=O)c1ccc(OCCOc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000820843180 607169514 /nfs/dbraw/zinc/16/95/14/607169514.db2.gz UXNIJKOYXJMSIK-UHFFFAOYSA-N -1 3 356.357 3.056 20 0 FGADHM CCC(=O)c1ccc(OCCOc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000820843180 607169515 /nfs/dbraw/zinc/16/95/15/607169515.db2.gz UXNIJKOYXJMSIK-UHFFFAOYSA-N -1 3 356.357 3.056 20 0 FGADHM Cc1cccc(C)c1OCC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000822293665 607189153 /nfs/dbraw/zinc/18/91/53/607189153.db2.gz GVISPMOWJZUNEP-UHFFFAOYSA-N -1 3 357.801 3.154 20 0 FGADHM Cc1cccc(C)c1OCC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822293665 607189154 /nfs/dbraw/zinc/18/91/54/607189154.db2.gz GVISPMOWJZUNEP-UHFFFAOYSA-N -1 3 357.801 3.154 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@@H]1CCC(C)C ZINC000821762716 607194227 /nfs/dbraw/zinc/19/42/27/607194227.db2.gz PHKOGRWIGHMWAN-CQSZACIVSA-N -1 3 358.446 3.308 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@@H]1CCC(C)C ZINC000821762716 607194228 /nfs/dbraw/zinc/19/42/28/607194228.db2.gz PHKOGRWIGHMWAN-CQSZACIVSA-N -1 3 358.446 3.308 20 0 FGADHM Cc1cc(F)ccc1CCNC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000822205963 607195834 /nfs/dbraw/zinc/19/58/34/607195834.db2.gz OZCYHLHDUGSZTQ-UHFFFAOYSA-N -1 3 374.807 3.332 20 0 FGADHM Cc1cc(F)ccc1CCNC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822205963 607195835 /nfs/dbraw/zinc/19/58/35/607195835.db2.gz OZCYHLHDUGSZTQ-UHFFFAOYSA-N -1 3 374.807 3.332 20 0 FGADHM CC(=O)Nc1ccc(NC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000819818893 607196020 /nfs/dbraw/zinc/19/60/20/607196020.db2.gz XKLOYEWQFQOVLE-UHFFFAOYSA-N -1 3 371.788 3.123 20 0 FGADHM CC(=O)Nc1ccc(NC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000819818893 607196021 /nfs/dbraw/zinc/19/60/21/607196021.db2.gz XKLOYEWQFQOVLE-UHFFFAOYSA-N -1 3 371.788 3.123 20 0 FGADHM Cc1cc([C@H]2CCCN2C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)no1 ZINC000822199080 607203615 /nfs/dbraw/zinc/20/36/15/607203615.db2.gz VWWYSQYUNWQPAC-CQSZACIVSA-N -1 3 373.804 3.186 20 0 FGADHM Cc1cc([C@H]2CCCN2C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)no1 ZINC000822199080 607203616 /nfs/dbraw/zinc/20/36/16/607203616.db2.gz VWWYSQYUNWQPAC-CQSZACIVSA-N -1 3 373.804 3.186 20 0 FGADHM CN(C(=O)Cc1ccc(F)cc1Cl)c1ccc(-c2nnn[n-]2)cc1F ZINC000821570986 607238328 /nfs/dbraw/zinc/23/83/28/607238328.db2.gz UTBJUXRWCIWBOV-UHFFFAOYSA-N -1 3 363.755 3.004 20 0 FGADHM CN(C(=O)Cc1ccc(F)cc1Cl)c1ccc(-c2nn[n-]n2)cc1F ZINC000821570986 607238329 /nfs/dbraw/zinc/23/83/29/607238329.db2.gz UTBJUXRWCIWBOV-UHFFFAOYSA-N -1 3 363.755 3.004 20 0 FGADHM C[C@@H](Cc1cccc(F)c1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820300344 607241194 /nfs/dbraw/zinc/24/11/94/607241194.db2.gz QBLDLTQKJSPKKT-JTQLQIEISA-N -1 3 359.792 3.477 20 0 FGADHM C[C@@H](Cc1cccc(F)c1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820300344 607241195 /nfs/dbraw/zinc/24/11/95/607241195.db2.gz QBLDLTQKJSPKKT-JTQLQIEISA-N -1 3 359.792 3.477 20 0 FGADHM C[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820549466 607241218 /nfs/dbraw/zinc/24/12/18/607241218.db2.gz MYWWWMYMKQCNLW-SECBINFHSA-N -1 3 361.764 3.065 20 0 FGADHM C[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820549466 607241219 /nfs/dbraw/zinc/24/12/19/607241219.db2.gz MYWWWMYMKQCNLW-SECBINFHSA-N -1 3 361.764 3.065 20 0 FGADHM COc1ccc(S[C@H](C)C(=O)Oc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000821846642 607244428 /nfs/dbraw/zinc/24/44/28/607244428.db2.gz WSTZNZGUJVODED-SNVBAGLBSA-N -1 3 374.397 3.101 20 0 FGADHM COc1ccc(S[C@H](C)C(=O)Oc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000821846642 607244429 /nfs/dbraw/zinc/24/44/29/607244429.db2.gz WSTZNZGUJVODED-SNVBAGLBSA-N -1 3 374.397 3.101 20 0 FGADHM O=C(C=Cc1ccc(Cl)s1)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000822929491 607246130 /nfs/dbraw/zinc/24/61/30/607246130.db2.gz VEKAKEXBZFSGAA-UTCJRWHESA-N -1 3 350.762 3.340 20 0 FGADHM O=C(C=Cc1ccc(Cl)s1)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000822929491 607246131 /nfs/dbraw/zinc/24/61/31/607246131.db2.gz VEKAKEXBZFSGAA-UTCJRWHESA-N -1 3 350.762 3.340 20 0 FGADHM O=C(C=Cc1ccc(Cl)s1)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000822929494 607246247 /nfs/dbraw/zinc/24/62/47/607246247.db2.gz VEKAKEXBZFSGAA-ZZXKWVIFSA-N -1 3 350.762 3.340 20 0 FGADHM O=C(C=Cc1ccc(Cl)s1)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000822929494 607246248 /nfs/dbraw/zinc/24/62/48/607246248.db2.gz VEKAKEXBZFSGAA-ZZXKWVIFSA-N -1 3 350.762 3.340 20 0 FGADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)c1csc(-c2cccs2)n1 ZINC000823449776 607246536 /nfs/dbraw/zinc/24/65/36/607246536.db2.gz CBICSWPBZSULPF-UHFFFAOYSA-N -1 3 373.394 3.410 20 0 FGADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)c1csc(-c2cccs2)n1 ZINC000823449776 607246537 /nfs/dbraw/zinc/24/65/37/607246537.db2.gz CBICSWPBZSULPF-UHFFFAOYSA-N -1 3 373.394 3.410 20 0 FGADHM CCc1ccc(N[C@H](C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1F ZINC000825717830 607784812 /nfs/dbraw/zinc/78/48/12/607784812.db2.gz RAAYRSMIRHULMO-LLVKDONJSA-N -1 3 354.389 3.007 20 0 FGADHM CCc1ccc(N[C@H](C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1F ZINC000825717830 607784813 /nfs/dbraw/zinc/78/48/13/607784813.db2.gz RAAYRSMIRHULMO-LLVKDONJSA-N -1 3 354.389 3.007 20 0 FGADHM Cc1nc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c(C)s1 ZINC000826323380 607785774 /nfs/dbraw/zinc/78/57/74/607785774.db2.gz BTOLAZUOQRJAEX-UHFFFAOYSA-N -1 3 368.344 3.211 20 0 FGADHM Cc1nc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c(C)s1 ZINC000826323380 607785775 /nfs/dbraw/zinc/78/57/75/607785775.db2.gz BTOLAZUOQRJAEX-UHFFFAOYSA-N -1 3 368.344 3.211 20 0 FGADHM Cc1nc(-c2ccccc2)oc1C(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC000826323035 607787046 /nfs/dbraw/zinc/78/70/46/607787046.db2.gz MWNKRAOWLWFAHW-UHFFFAOYSA-N -1 3 360.377 3.107 20 0 FGADHM Cc1nc(-c2ccccc2)oc1C(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC000826323035 607787047 /nfs/dbraw/zinc/78/70/47/607787047.db2.gz MWNKRAOWLWFAHW-UHFFFAOYSA-N -1 3 360.377 3.107 20 0 FGADHM CC[C@H](C)Oc1ccc(C(=O)N(C)c2ccccc2-c2nnn[n-]2)cc1 ZINC000825076520 607787763 /nfs/dbraw/zinc/78/77/63/607787763.db2.gz WAOUFXJDMMQEDI-ZDUSSCGKSA-N -1 3 351.410 3.321 20 0 FGADHM CC[C@H](C)Oc1ccc(C(=O)N(C)c2ccccc2-c2nn[n-]n2)cc1 ZINC000825076520 607787764 /nfs/dbraw/zinc/78/77/64/607787764.db2.gz WAOUFXJDMMQEDI-ZDUSSCGKSA-N -1 3 351.410 3.321 20 0 FGADHM CC[C@H](CC(=O)N(C)c1ccccc1-c1nnn[n-]1)c1ccc(OC)cc1 ZINC000825081068 607790581 /nfs/dbraw/zinc/79/05/81/607790581.db2.gz FJYQRNLWTMHKOX-CQSZACIVSA-N -1 3 365.437 3.422 20 0 FGADHM CC[C@H](CC(=O)N(C)c1ccccc1-c1nn[n-]n1)c1ccc(OC)cc1 ZINC000825081068 607790582 /nfs/dbraw/zinc/79/05/82/607790582.db2.gz FJYQRNLWTMHKOX-CQSZACIVSA-N -1 3 365.437 3.422 20 0 FGADHM CCN(C(=O)C/C=C\c1ccc(F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825372049 607796640 /nfs/dbraw/zinc/79/66/40/607796640.db2.gz QQYTXXRJXNTWHI-ARJAWSKDSA-N -1 3 351.385 3.462 20 0 FGADHM CCN(C(=O)C/C=C\c1ccc(F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825372049 607796641 /nfs/dbraw/zinc/79/66/41/607796641.db2.gz QQYTXXRJXNTWHI-ARJAWSKDSA-N -1 3 351.385 3.462 20 0 FGADHM CCN(C(=O)COc1ccccc1C(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825371748 607798809 /nfs/dbraw/zinc/79/88/09/607798809.db2.gz JXNARYMXDNJMEF-UHFFFAOYSA-N -1 3 365.437 3.422 20 0 FGADHM CCN(C(=O)COc1ccccc1C(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825371748 607798810 /nfs/dbraw/zinc/79/88/10/607798810.db2.gz JXNARYMXDNJMEF-UHFFFAOYSA-N -1 3 365.437 3.422 20 0 FGADHM CCN(C(=O)C=Cc1ccc2ccccc2n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367055 607798878 /nfs/dbraw/zinc/79/88/78/607798878.db2.gz INLLIPAJJIJENA-KAMYIIQDSA-N -1 3 370.416 3.481 20 0 FGADHM CCN(C(=O)C=Cc1ccc2ccccc2n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367055 607798879 /nfs/dbraw/zinc/79/88/79/607798879.db2.gz INLLIPAJJIJENA-KAMYIIQDSA-N -1 3 370.416 3.481 20 0 FGADHM CCN(C(=O)c1sc([C@H](C)OC)nc1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825391469 607799432 /nfs/dbraw/zinc/79/94/32/607799432.db2.gz ZTGJXWFKTJGUPP-NSHDSACASA-N -1 3 372.454 3.006 20 0 FGADHM CCN(C(=O)c1sc([C@H](C)OC)nc1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825391469 607799433 /nfs/dbraw/zinc/79/94/33/607799433.db2.gz ZTGJXWFKTJGUPP-NSHDSACASA-N -1 3 372.454 3.006 20 0 FGADHM CCOc1ccccc1C(F)(F)C(=O)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000825654374 607805461 /nfs/dbraw/zinc/80/54/61/607805461.db2.gz ZFRPLELFCKOBPA-UHFFFAOYSA-N -1 3 374.347 3.101 20 0 FGADHM CCOc1ccccc1C(F)(F)C(=O)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000825654374 607805462 /nfs/dbraw/zinc/80/54/62/607805462.db2.gz ZFRPLELFCKOBPA-UHFFFAOYSA-N -1 3 374.347 3.101 20 0 FGADHM C[C@H](Cc1ccccc1Cl)C(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000824457093 607816027 /nfs/dbraw/zinc/81/60/27/607816027.db2.gz DZVXKUYNONNMNC-CYBMUJFWSA-N -1 3 369.856 3.357 20 0 FGADHM C[C@H](Cc1ccccc1Cl)C(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000824457093 607816028 /nfs/dbraw/zinc/81/60/28/607816028.db2.gz DZVXKUYNONNMNC-CYBMUJFWSA-N -1 3 369.856 3.357 20 0 FGADHM C[C@H](Cc1ccccc1Cl)C(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000824458699 607830243 /nfs/dbraw/zinc/83/02/43/607830243.db2.gz XQBAZYRSCKQWHY-SNVBAGLBSA-N -1 3 360.776 3.443 20 0 FGADHM C[C@H](Cc1ccccc1Cl)C(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000824458699 607830244 /nfs/dbraw/zinc/83/02/44/607830244.db2.gz XQBAZYRSCKQWHY-SNVBAGLBSA-N -1 3 360.776 3.443 20 0 FGADHM C[C@H]1CCC[C@@H](NC(=O)c2c(Cl)cc(-c3nnn[n-]3)cc2Cl)C1 ZINC000824927105 607833041 /nfs/dbraw/zinc/83/30/41/607833041.db2.gz MPASKHPUSZCDQX-WCBMZHEXSA-N -1 3 354.241 3.482 20 0 FGADHM C[C@H]1CCC[C@@H](NC(=O)c2c(Cl)cc(-c3nn[n-]n3)cc2Cl)C1 ZINC000824927105 607833042 /nfs/dbraw/zinc/83/30/42/607833042.db2.gz MPASKHPUSZCDQX-WCBMZHEXSA-N -1 3 354.241 3.482 20 0 FGADHM Clc1cc(-c2nnn[n-]2)ccc1SCc1nnc2n1CCCCC2 ZINC000826350556 607844726 /nfs/dbraw/zinc/84/47/26/607844726.db2.gz BHWOUULXERFMPP-UHFFFAOYSA-N -1 3 361.862 3.130 20 0 FGADHM Clc1cc(-c2nn[n-]n2)ccc1SCc1nnc2n1CCCCC2 ZINC000826350556 607844727 /nfs/dbraw/zinc/84/47/27/607844727.db2.gz BHWOUULXERFMPP-UHFFFAOYSA-N -1 3 361.862 3.130 20 0 FGADHM CN(Cn1nc(-c2cccs2)oc1=S)c1ccc(-c2nn[n-]n2)cc1 ZINC000825999254 607846202 /nfs/dbraw/zinc/84/62/02/607846202.db2.gz TVOJXKZQAZJYJQ-UHFFFAOYSA-N -1 3 371.451 3.208 20 0 FGADHM COc1ccc(OC[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)c2ccccc12 ZINC000826211152 607873315 /nfs/dbraw/zinc/87/33/15/607873315.db2.gz QZVYXPWTLYKZAQ-QGZVFWFLSA-N -1 3 362.389 3.141 20 0 FGADHM COc1ccc(OC[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)c2ccccc12 ZINC000826211152 607873316 /nfs/dbraw/zinc/87/33/16/607873316.db2.gz QZVYXPWTLYKZAQ-QGZVFWFLSA-N -1 3 362.389 3.141 20 0 FGADHM O[C@H](COc1ccc(-c2nnn[n-]2)c(F)c1)c1ccccc1C(F)(F)F ZINC000826503691 607873574 /nfs/dbraw/zinc/87/35/74/607873574.db2.gz CWJGLLZPWSFMCV-CQSZACIVSA-N -1 3 368.290 3.137 20 0 FGADHM O[C@H](COc1ccc(-c2nn[n-]n2)c(F)c1)c1ccccc1C(F)(F)F ZINC000826503691 607873575 /nfs/dbraw/zinc/87/35/75/607873575.db2.gz CWJGLLZPWSFMCV-CQSZACIVSA-N -1 3 368.290 3.137 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@H](C)Cc1cccc(Cl)c1 ZINC000826173927 607880407 /nfs/dbraw/zinc/88/04/07/607880407.db2.gz BGDYJLFDXKSRNC-LLVKDONJSA-N -1 3 372.812 3.313 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@H](C)Cc1cccc(Cl)c1 ZINC000826173927 607880408 /nfs/dbraw/zinc/88/04/08/607880408.db2.gz BGDYJLFDXKSRNC-LLVKDONJSA-N -1 3 372.812 3.313 20 0 FGADHM Clc1ccc(-c2nnc(Cn3ccc(-c4nnn[n-]4)c3)o2)c(Cl)c1 ZINC000826351262 607892660 /nfs/dbraw/zinc/89/26/60/607892660.db2.gz FSPRIOIFAJPGDC-UHFFFAOYSA-N -1 3 362.180 3.073 20 0 FGADHM Clc1ccc(-c2nnc(Cn3ccc(-c4nn[n-]n4)c3)o2)c(Cl)c1 ZINC000826351262 607892661 /nfs/dbraw/zinc/89/26/61/607892661.db2.gz FSPRIOIFAJPGDC-UHFFFAOYSA-N -1 3 362.180 3.073 20 0 FGADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000826440674 607905654 /nfs/dbraw/zinc/90/56/54/607905654.db2.gz WOEDRTQFIRDLLF-GZBFAFLISA-N -1 3 357.433 3.229 20 0 FGADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000826440674 607905655 /nfs/dbraw/zinc/90/56/55/607905655.db2.gz WOEDRTQFIRDLLF-GZBFAFLISA-N -1 3 357.433 3.229 20 0 FGADHM Cc1nc(-c2ccc(C)c(NCc3ccc(-c4nnn[n-]4)cc3F)c2)n[nH]1 ZINC000826322518 607910971 /nfs/dbraw/zinc/91/09/71/607910971.db2.gz QDCLCYKXYLEFMU-UHFFFAOYSA-N -1 3 364.388 3.020 20 0 FGADHM Cc1nc(-c2ccc(C)c(NCc3ccc(-c4nn[n-]n4)cc3F)c2)n[nH]1 ZINC000826322518 607910972 /nfs/dbraw/zinc/91/09/72/607910972.db2.gz QDCLCYKXYLEFMU-UHFFFAOYSA-N -1 3 364.388 3.020 20 0 FGADHM CCc1c(C(=O)Nc2sc(C)c(C)c2-c2nnn[n-]2)cnn1CC(C)C ZINC000825687371 607921942 /nfs/dbraw/zinc/92/19/42/607921942.db2.gz HWWOLIXFSHBJIF-UHFFFAOYSA-N -1 3 373.486 3.212 20 0 FGADHM CCc1c(C(=O)Nc2sc(C)c(C)c2-c2nn[n-]n2)cnn1CC(C)C ZINC000825687371 607921943 /nfs/dbraw/zinc/92/19/43/607921943.db2.gz HWWOLIXFSHBJIF-UHFFFAOYSA-N -1 3 373.486 3.212 20 0 FGADHM C[C@H](OC(=O)c1csc([C@H]2CCCO2)n1)c1cccc(-c2nnn[n-]2)c1 ZINC000824729670 607923113 /nfs/dbraw/zinc/92/31/13/607923113.db2.gz LNRGCSFMEZMLAN-IINYFYTJSA-N -1 3 371.422 3.093 20 0 FGADHM C[C@H](OC(=O)c1csc([C@H]2CCCO2)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000824729670 607923114 /nfs/dbraw/zinc/92/31/14/607923114.db2.gz LNRGCSFMEZMLAN-IINYFYTJSA-N -1 3 371.422 3.093 20 0 FGADHM COCC(C)(C)C(=O)Oc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826149130 607924156 /nfs/dbraw/zinc/92/41/56/607924156.db2.gz ZYEWYXKBUHHFSL-UHFFFAOYSA-N -1 3 368.393 3.237 20 0 FGADHM COCC(C)(C)C(=O)Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826149130 607924157 /nfs/dbraw/zinc/92/41/57/607924157.db2.gz ZYEWYXKBUHHFSL-UHFFFAOYSA-N -1 3 368.393 3.237 20 0 FGADHM Cc1cccc(Cl)c1NC(=O)CNc1cccc(-c2nnn[n-]2)c1C ZINC000826298411 607931222 /nfs/dbraw/zinc/93/12/22/607931222.db2.gz RFUUJAATUNZKIE-UHFFFAOYSA-N -1 3 356.817 3.188 20 0 FGADHM Cc1cccc(Cl)c1NC(=O)CNc1cccc(-c2nn[n-]n2)c1C ZINC000826298411 607931223 /nfs/dbraw/zinc/93/12/23/607931223.db2.gz RFUUJAATUNZKIE-UHFFFAOYSA-N -1 3 356.817 3.188 20 0 FGADHM CCc1nc2sccc2c(NCc2cc(-c3nnn[n-]3)ccc2F)n1 ZINC000825750588 607965343 /nfs/dbraw/zinc/96/53/43/607965343.db2.gz UAXXVIRRYOCPAR-UHFFFAOYSA-N -1 3 355.402 3.185 20 0 FGADHM CCc1nc2sccc2c(NCc2cc(-c3nn[n-]n3)ccc2F)n1 ZINC000825750588 607965344 /nfs/dbraw/zinc/96/53/44/607965344.db2.gz UAXXVIRRYOCPAR-UHFFFAOYSA-N -1 3 355.402 3.185 20 0 FGADHM COC1CCC(CC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)CC1 ZINC000826144907 607979598 /nfs/dbraw/zinc/97/95/98/607979598.db2.gz VMGOGWKBIVSEFF-UHFFFAOYSA-N -1 3 371.485 3.199 20 0 FGADHM COC1CCC(CC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)CC1 ZINC000826144907 607979599 /nfs/dbraw/zinc/97/95/99/607979599.db2.gz VMGOGWKBIVSEFF-UHFFFAOYSA-N -1 3 371.485 3.199 20 0 FGADHM C[C@H](NC(=O)N1CC=C(C(C)(C)C)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000824492042 607993132 /nfs/dbraw/zinc/99/31/32/607993132.db2.gz WZIWGGNXZGHOLI-ZDUSSCGKSA-N -1 3 354.458 3.316 20 0 FGADHM C[C@H](NC(=O)N1CC=C(C(C)(C)C)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000824492042 607993133 /nfs/dbraw/zinc/99/31/33/607993133.db2.gz WZIWGGNXZGHOLI-ZDUSSCGKSA-N -1 3 354.458 3.316 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CC=C(C(C)(C)C)CC1 ZINC000825621656 608006233 /nfs/dbraw/zinc/00/62/33/608006233.db2.gz WLAWDUPWAYVKKM-UHFFFAOYSA-N -1 3 370.457 3.476 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CC=C(C(C)(C)C)CC1 ZINC000825621656 608006234 /nfs/dbraw/zinc/00/62/34/608006234.db2.gz WLAWDUPWAYVKKM-UHFFFAOYSA-N -1 3 370.457 3.476 20 0 FGADHM Cc1cc([C@H](NC(=O)Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)ccc1F ZINC000826262556 608009343 /nfs/dbraw/zinc/00/93/43/608009343.db2.gz RYHLVMZOCBNXHL-LJQANCHMSA-N -1 3 365.412 3.124 20 0 FGADHM Cc1cc([C@H](NC(=O)Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)ccc1F ZINC000826262556 608009344 /nfs/dbraw/zinc/00/93/44/608009344.db2.gz RYHLVMZOCBNXHL-LJQANCHMSA-N -1 3 365.412 3.124 20 0 FGADHM CC[C@@H](C)n1ncc(C(=O)Oc2ccc(-c3nnn[n-]3)cc2)c1C1CC1 ZINC000825081195 608024332 /nfs/dbraw/zinc/02/43/32/608024332.db2.gz HIXOKHNCWQJOAA-LLVKDONJSA-N -1 3 352.398 3.131 20 0 FGADHM CC[C@@H](C)n1ncc(C(=O)Oc2ccc(-c3nn[n-]n3)cc2)c1C1CC1 ZINC000825081195 608024333 /nfs/dbraw/zinc/02/43/33/608024333.db2.gz HIXOKHNCWQJOAA-LLVKDONJSA-N -1 3 352.398 3.131 20 0 FGADHM FC(F)(F)C1=CCN(c2ccc(-c3nn[n-]n3)cc2Br)CC1 ZINC000826367443 608052058 /nfs/dbraw/zinc/05/20/58/608052058.db2.gz ZFSBXUWNWVPQGX-UHFFFAOYSA-N -1 3 374.164 3.328 20 0 FGADHM COc1ccc(COC(=O)CCc2ccc(-c3nnn[n-]3)cc2)cc1Cl ZINC000826205045 608072621 /nfs/dbraw/zinc/07/26/21/608072621.db2.gz IJDUAPITGFEYDF-UHFFFAOYSA-N -1 3 372.812 3.205 20 0 FGADHM COc1ccc(COC(=O)CCc2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC000826205045 608072622 /nfs/dbraw/zinc/07/26/22/608072622.db2.gz IJDUAPITGFEYDF-UHFFFAOYSA-N -1 3 372.812 3.205 20 0 FGADHM CCCCC[C@H](C)CC(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000825266347 608084493 /nfs/dbraw/zinc/08/44/93/608084493.db2.gz FFMCOLZWCQKDKB-YJBOKZPZSA-N -1 3 371.485 3.373 20 0 FGADHM CCCCC[C@H](C)CC(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000825266347 608084494 /nfs/dbraw/zinc/08/44/94/608084494.db2.gz FFMCOLZWCQKDKB-YJBOKZPZSA-N -1 3 371.485 3.373 20 0 FGADHM CCCCCC[C@@H](C)C(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000825270761 608085281 /nfs/dbraw/zinc/08/52/81/608085281.db2.gz CPIBKYGNUXTBJH-CRAIPNDOSA-N -1 3 371.485 3.373 20 0 FGADHM CCCCCC[C@@H](C)C(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000825270761 608085282 /nfs/dbraw/zinc/08/52/82/608085282.db2.gz CPIBKYGNUXTBJH-CRAIPNDOSA-N -1 3 371.485 3.373 20 0 FGADHM c1ccc2c(c1)nc(N[C@@H]1CC[C@H]3SCCS[C@H]13)cc2-c1nnn[n-]1 ZINC000826522755 608099037 /nfs/dbraw/zinc/09/90/37/608099037.db2.gz MUOUQELJWZIHOR-IIAWOOMASA-N -1 3 370.507 3.206 20 0 FGADHM c1ccc2c(c1)nc(N[C@@H]1CC[C@H]3SCCS[C@H]13)cc2-c1nn[n-]n1 ZINC000826522755 608099038 /nfs/dbraw/zinc/09/90/38/608099038.db2.gz MUOUQELJWZIHOR-IIAWOOMASA-N -1 3 370.507 3.206 20 0 FGADHM O[C@H](CNc1c(Cl)cccc1-c1nnn[n-]1)c1ccc(Cl)c(F)c1 ZINC000826503378 608099955 /nfs/dbraw/zinc/09/99/55/608099955.db2.gz WDPHSXDIEWOHPF-CYBMUJFWSA-N -1 3 368.199 3.458 20 0 FGADHM O[C@H](CNc1c(Cl)cccc1-c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000826503378 608099956 /nfs/dbraw/zinc/09/99/56/608099956.db2.gz WDPHSXDIEWOHPF-CYBMUJFWSA-N -1 3 368.199 3.458 20 0 FGADHM CN(Cc1ccc(Cl)c(F)c1)C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000825965658 608102466 /nfs/dbraw/zinc/10/24/66/608102466.db2.gz AGMQHZCKLCUEOQ-VQHVLOKHSA-N -1 3 371.803 3.331 20 0 FGADHM CN(Cc1ccc(Cl)c(F)c1)C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000825965658 608102467 /nfs/dbraw/zinc/10/24/67/608102467.db2.gz AGMQHZCKLCUEOQ-VQHVLOKHSA-N -1 3 371.803 3.331 20 0 FGADHM O=C(Nc1ccc(NCCc2ccccc2)cc1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826455028 608122591 /nfs/dbraw/zinc/12/25/91/608122591.db2.gz WIBBHLGCOZLFNM-UHFFFAOYSA-N -1 3 373.420 3.102 20 0 FGADHM O=C(Nc1ccc(NCCc2ccccc2)cc1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826455028 608122592 /nfs/dbraw/zinc/12/25/92/608122592.db2.gz WIBBHLGCOZLFNM-UHFFFAOYSA-N -1 3 373.420 3.102 20 0 FGADHM CCSc1cccc(C(=O)Oc2ccc(-c3nnn[n-]3)cc2OC)c1 ZINC000825674127 608122873 /nfs/dbraw/zinc/12/28/73/608122873.db2.gz IILZGZAFUZNBGX-UHFFFAOYSA-N -1 3 356.407 3.207 20 0 FGADHM CCSc1cccc(C(=O)Oc2ccc(-c3nn[n-]n3)cc2OC)c1 ZINC000825674127 608122874 /nfs/dbraw/zinc/12/28/74/608122874.db2.gz IILZGZAFUZNBGX-UHFFFAOYSA-N -1 3 356.407 3.207 20 0 FGADHM O=C(O[C@@H]1CCOc2c(Cl)cccc21)c1cc(-c2nnn[n-]2)cs1 ZINC000826462629 608128605 /nfs/dbraw/zinc/12/86/05/608128605.db2.gz CULBACQPHYPNGR-LLVKDONJSA-N -1 3 362.798 3.262 20 0 FGADHM O=C(O[C@@H]1CCOc2c(Cl)cccc21)c1cc(-c2nn[n-]n2)cs1 ZINC000826462629 608128606 /nfs/dbraw/zinc/12/86/06/608128606.db2.gz CULBACQPHYPNGR-LLVKDONJSA-N -1 3 362.798 3.262 20 0 FGADHM O=C(O[C@H]1CCOc2c(Cl)cccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000826462959 608128725 /nfs/dbraw/zinc/12/87/25/608128725.db2.gz OQZJMTPWPZHSBB-AWEZNQCLSA-N -1 3 356.769 3.201 20 0 FGADHM O=C(O[C@H]1CCOc2c(Cl)cccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000826462959 608128726 /nfs/dbraw/zinc/12/87/26/608128726.db2.gz OQZJMTPWPZHSBB-AWEZNQCLSA-N -1 3 356.769 3.201 20 0 FGADHM FC(F)(F)COc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826367928 608152766 /nfs/dbraw/zinc/15/27/66/608152766.db2.gz UUDIQSGQATVRIL-UHFFFAOYSA-N -1 3 350.300 3.387 20 0 FGADHM FC(F)(F)COc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826367928 608152769 /nfs/dbraw/zinc/15/27/69/608152769.db2.gz UUDIQSGQATVRIL-UHFFFAOYSA-N -1 3 350.300 3.387 20 0 FGADHM Cc1ccc(F)c([C@@H](C)OC(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)c1 ZINC000826289106 608165235 /nfs/dbraw/zinc/16/52/35/608165235.db2.gz KSJCMLPZCMBXCN-CHWSQXEVSA-N -1 3 370.384 3.386 20 0 FGADHM Cc1ccc(F)c([C@@H](C)OC(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)c1 ZINC000826289106 608165238 /nfs/dbraw/zinc/16/52/38/608165238.db2.gz KSJCMLPZCMBXCN-CHWSQXEVSA-N -1 3 370.384 3.386 20 0 FGADHM Cc1cnc([C@H](C)OC(=O)c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)o1 ZINC000826318044 608172278 /nfs/dbraw/zinc/17/22/78/608172278.db2.gz SZDUIXIUDZEAKW-QMMMGPOBSA-N -1 3 367.287 3.100 20 0 FGADHM Cc1cnc([C@H](C)OC(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)o1 ZINC000826318044 608172279 /nfs/dbraw/zinc/17/22/79/608172279.db2.gz SZDUIXIUDZEAKW-QMMMGPOBSA-N -1 3 367.287 3.100 20 0 FGADHM C[C@@H](OC(=O)c1c(F)c(F)cc(F)c1F)c1cccc(-c2nnn[n-]2)c1 ZINC000824714938 608183673 /nfs/dbraw/zinc/18/36/73/608183673.db2.gz PIZIYDCPPWUAMG-SSDOTTSWSA-N -1 3 366.274 3.341 20 0 FGADHM C[C@@H](OC(=O)c1c(F)c(F)cc(F)c1F)c1cccc(-c2nn[n-]n2)c1 ZINC000824714938 608183675 /nfs/dbraw/zinc/18/36/75/608183675.db2.gz PIZIYDCPPWUAMG-SSDOTTSWSA-N -1 3 366.274 3.341 20 0 FGADHM CC(=O)Nc1nc(CSc2cccc(Cl)c2-c2nnn[n-]2)cs1 ZINC000824005065 608205033 /nfs/dbraw/zinc/20/50/33/608205033.db2.gz JSBVDCNAAYSXEW-UHFFFAOYSA-N -1 3 366.859 3.227 20 0 FGADHM CC(=O)Nc1nc(CSc2cccc(Cl)c2-c2nn[n-]n2)cs1 ZINC000824005065 608205034 /nfs/dbraw/zinc/20/50/34/608205034.db2.gz JSBVDCNAAYSXEW-UHFFFAOYSA-N -1 3 366.859 3.227 20 0 FGADHM C[C@H](Sc1cccc(Cl)c1-c1nnn[n-]1)C(=O)N1CCC(C)CC1 ZINC000824948748 608207233 /nfs/dbraw/zinc/20/72/33/608207233.db2.gz VQHNUCYBUZZCBG-NSHDSACASA-N -1 3 365.890 3.259 20 0 FGADHM C[C@H](Sc1cccc(Cl)c1-c1nn[n-]n1)C(=O)N1CCC(C)CC1 ZINC000824948748 608207235 /nfs/dbraw/zinc/20/72/35/608207235.db2.gz VQHNUCYBUZZCBG-NSHDSACASA-N -1 3 365.890 3.259 20 0 FGADHM CC(C)CCOC1CCN(c2ccc3cc(-c4nnn[n-]4)ccc3n2)CC1 ZINC000824248799 608222832 /nfs/dbraw/zinc/22/28/32/608222832.db2.gz CFQIZAOADYVHRN-UHFFFAOYSA-N -1 3 366.469 3.446 20 0 FGADHM CC(C)CCOC1CCN(c2ccc3cc(-c4nn[n-]n4)ccc3n2)CC1 ZINC000824248799 608222834 /nfs/dbraw/zinc/22/28/34/608222834.db2.gz CFQIZAOADYVHRN-UHFFFAOYSA-N -1 3 366.469 3.446 20 0 FGADHM CCc1nccn1[C@@H]1CCCN(c2ccc3cc(-c4nn[n-]n4)ccc3n2)C1 ZINC000825754801 608226360 /nfs/dbraw/zinc/22/63/60/608226360.db2.gz HUAZAPJWKCIEFL-MRXNPFEDSA-N -1 3 374.452 3.015 20 0 FGADHM Fc1ccc(OCCNc2ccc3cc(-c4nnn[n-]4)ccc3n2)cc1F ZINC000826376283 608227057 /nfs/dbraw/zinc/22/70/57/608227057.db2.gz WHVPRALNZRBXLY-UHFFFAOYSA-N -1 3 368.347 3.184 20 0 FGADHM Fc1ccc(OCCNc2ccc3cc(-c4nn[n-]n4)ccc3n2)cc1F ZINC000826376283 608227058 /nfs/dbraw/zinc/22/70/58/608227058.db2.gz WHVPRALNZRBXLY-UHFFFAOYSA-N -1 3 368.347 3.184 20 0 FGADHM c1ccc(N2CC[C@H](Nc3ccc4cc(-c5nnn[n-]5)ccc4n3)C2)cc1 ZINC000826522426 608227888 /nfs/dbraw/zinc/22/78/88/608227888.db2.gz ZABMRGLFLXQGOG-INIZCTEOSA-N -1 3 357.421 3.106 20 0 FGADHM c1ccc(N2CC[C@H](Nc3ccc4cc(-c5nn[n-]n5)ccc4n3)C2)cc1 ZINC000826522426 608227890 /nfs/dbraw/zinc/22/78/90/608227890.db2.gz ZABMRGLFLXQGOG-INIZCTEOSA-N -1 3 357.421 3.106 20 0 FGADHM COc1ccc([C@H](OC)[C@@H](C)Nc2ncc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000826190096 608239934 /nfs/dbraw/zinc/23/99/34/608239934.db2.gz POYVZBQYHBVURW-MEBBXXQBSA-N -1 3 374.832 3.112 20 0 FGADHM COc1ccc([C@H](OC)[C@@H](C)Nc2ncc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000826190096 608239935 /nfs/dbraw/zinc/23/99/35/608239935.db2.gz POYVZBQYHBVURW-MEBBXXQBSA-N -1 3 374.832 3.112 20 0 FGADHM CCCn1ncc(C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1C1CC1 ZINC000825361609 608248616 /nfs/dbraw/zinc/24/86/16/608248616.db2.gz GBGBMGWIFWAWRP-GFCCVEGCSA-N -1 3 366.425 3.269 20 0 FGADHM CCCn1ncc(C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1C1CC1 ZINC000825361609 608248618 /nfs/dbraw/zinc/24/86/18/608248618.db2.gz GBGBMGWIFWAWRP-GFCCVEGCSA-N -1 3 366.425 3.269 20 0 FGADHM O=C(C=Cc1ccc2[nH]ccc2c1)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000826401366 608252391 /nfs/dbraw/zinc/25/23/91/608252391.db2.gz WOEGEOKHNDFPIY-KXFIGUGUSA-N -1 3 363.352 3.244 20 0 FGADHM O=C(C=Cc1ccc2[nH]ccc2c1)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000826401366 608252392 /nfs/dbraw/zinc/25/23/92/608252392.db2.gz WOEGEOKHNDFPIY-KXFIGUGUSA-N -1 3 363.352 3.244 20 0 FGADHM Cc1nn(-c2ccccc2)c(CSC2=N[C@@H](C)CS2)c1-c1nnn[n-]1 ZINC000826332772 608267542 /nfs/dbraw/zinc/26/75/42/608267542.db2.gz HEMOQFGCGOCVLU-JTQLQIEISA-N -1 3 371.495 3.085 20 0 FGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CC[C@@H](C)[C@H](C)C1 ZINC000824319161 608268279 /nfs/dbraw/zinc/26/82/79/608268279.db2.gz HXOVBTBIAOXLQW-CHWSQXEVSA-N -1 3 358.446 3.164 20 0 FGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CC[C@@H](C)[C@H](C)C1 ZINC000824319161 608268281 /nfs/dbraw/zinc/26/82/81/608268281.db2.gz HXOVBTBIAOXLQW-CHWSQXEVSA-N -1 3 358.446 3.164 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)c(N(C)C[C@@H]2CCCO[C@@H]2c2ccccc2)n1 ZINC000826273771 608280236 /nfs/dbraw/zinc/28/02/36/608280236.db2.gz SWOSTJVGVKLIFN-FUHWJXTLSA-N -1 3 364.453 3.174 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)c(N(C)C[C@@H]2CCCO[C@@H]2c2ccccc2)n1 ZINC000826273771 608280238 /nfs/dbraw/zinc/28/02/38/608280238.db2.gz SWOSTJVGVKLIFN-FUHWJXTLSA-N -1 3 364.453 3.174 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)c(N2CCC(Cc3ccccc3F)CC2)n1 ZINC000826274046 608286545 /nfs/dbraw/zinc/28/65/45/608286545.db2.gz FLGLNWLHUOXKQY-UHFFFAOYSA-N -1 3 352.417 3.168 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)c(N2CCC(Cc3ccccc3F)CC2)n1 ZINC000826274046 608286547 /nfs/dbraw/zinc/28/65/47/608286547.db2.gz FLGLNWLHUOXKQY-UHFFFAOYSA-N -1 3 352.417 3.168 20 0 FGADHM CC[C@H](CSC)N(C)C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825122386 608289993 /nfs/dbraw/zinc/28/99/93/608289993.db2.gz YIAUUOFOKMERHE-SNVBAGLBSA-N -1 3 370.935 3.290 20 0 FGADHM CC[C@H](CSC)N(C)C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825122386 608289995 /nfs/dbraw/zinc/28/99/95/608289995.db2.gz YIAUUOFOKMERHE-SNVBAGLBSA-N -1 3 370.935 3.290 20 0 FGADHM c1oc(-c2ccccc2)nc1CNc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC000826518909 608291315 /nfs/dbraw/zinc/29/13/15/608291315.db2.gz CCLZCKUFHKQGGT-UHFFFAOYSA-N -1 3 373.420 3.408 20 0 FGADHM c1oc(-c2ccccc2)nc1CNc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC000826518909 608291317 /nfs/dbraw/zinc/29/13/17/608291317.db2.gz CCLZCKUFHKQGGT-UHFFFAOYSA-N -1 3 373.420 3.408 20 0 FGADHM Cc1nnc(CSc2nc(C)cc(C(F)(F)F)c2-c2nnn[n-]2)s1 ZINC000826262483 608291769 /nfs/dbraw/zinc/29/17/69/608291769.db2.gz QBAARCMGANCDRV-UHFFFAOYSA-N -1 3 373.389 3.041 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cccc([C@H]2CCCOC2)c1 ZINC000826278908 608294096 /nfs/dbraw/zinc/29/40/96/608294096.db2.gz YAOQFMDMFOPKIE-KRWDZBQOSA-N -1 3 363.421 3.321 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cccc([C@H]2CCCOC2)c1 ZINC000826278908 608294098 /nfs/dbraw/zinc/29/40/98/608294098.db2.gz YAOQFMDMFOPKIE-KRWDZBQOSA-N -1 3 363.421 3.321 20 0 FGADHM COc1cc(C)cc(CNc2nc3c(cc2-c2nnn[n-]2)CCCC3)c1 ZINC000826178269 608299373 /nfs/dbraw/zinc/29/93/73/608299373.db2.gz QNMUEKUNHKIDDK-UHFFFAOYSA-N -1 3 350.426 3.070 20 0 FGADHM COc1cc(C)cc(CNc2nc3c(cc2-c2nn[n-]n2)CCCC3)c1 ZINC000826178269 608299375 /nfs/dbraw/zinc/29/93/75/608299375.db2.gz QNMUEKUNHKIDDK-UHFFFAOYSA-N -1 3 350.426 3.070 20 0 FGADHM Cc1scc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)c1C ZINC000826350406 608303001 /nfs/dbraw/zinc/30/30/01/608303001.db2.gz URQYXUFRTJXLNL-UHFFFAOYSA-N -1 3 365.365 3.399 20 0 FGADHM Cc1scc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)c1C ZINC000826350406 608303003 /nfs/dbraw/zinc/30/30/03/608303003.db2.gz URQYXUFRTJXLNL-UHFFFAOYSA-N -1 3 365.365 3.399 20 0 FGADHM C[C@@H]1CCC[C@H](OCCCCCC(=O)Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC000824925526 608305071 /nfs/dbraw/zinc/30/50/71/608305071.db2.gz DRDZHLFMNXDUQR-ZBFHGGJFSA-N -1 3 372.473 3.356 20 0 FGADHM C[C@@H]1CCC[C@H](OCCCCCC(=O)Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC000824925526 608305072 /nfs/dbraw/zinc/30/50/72/608305072.db2.gz DRDZHLFMNXDUQR-ZBFHGGJFSA-N -1 3 372.473 3.356 20 0 FGADHM COc1ccc([C@@H](OC(=O)c2cccc(-c3nnn[n-]3)c2)C2CC2)c(C)c1 ZINC000826188828 608316955 /nfs/dbraw/zinc/31/69/55/608316955.db2.gz ICMRETRAJCZVCB-SFHVURJKSA-N -1 3 364.405 3.492 20 0 FGADHM COc1ccc([C@@H](OC(=O)c2cccc(-c3nn[n-]n3)c2)C2CC2)c(C)c1 ZINC000826188828 608316957 /nfs/dbraw/zinc/31/69/57/608316957.db2.gz ICMRETRAJCZVCB-SFHVURJKSA-N -1 3 364.405 3.492 20 0 FGADHM Cc1c[nH]cc1C(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000826242694 608328330 /nfs/dbraw/zinc/32/83/30/608328330.db2.gz BBIPLGPKZIMZCG-UHFFFAOYSA-N -1 3 358.405 3.100 20 0 FGADHM Cc1c[nH]cc1C(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000826242694 608328332 /nfs/dbraw/zinc/32/83/32/608328332.db2.gz BBIPLGPKZIMZCG-UHFFFAOYSA-N -1 3 358.405 3.100 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)CC[C@@H](C)SC ZINC000825605110 608341006 /nfs/dbraw/zinc/34/10/06/608341006.db2.gz QAWMEOVEEKJPSJ-SECBINFHSA-N -1 3 370.862 3.356 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)CC[C@@H](C)SC ZINC000825605110 608341009 /nfs/dbraw/zinc/34/10/09/608341009.db2.gz QAWMEOVEEKJPSJ-SECBINFHSA-N -1 3 370.862 3.356 20 0 FGADHM CCN(C(=O)Cc1ccc(C)s1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825376288 608347163 /nfs/dbraw/zinc/34/71/63/608347163.db2.gz FIUGICJFKDXJMW-UHFFFAOYSA-N -1 3 361.858 3.486 20 0 FGADHM CCN(C(=O)Cc1ccc(C)s1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825376288 608347165 /nfs/dbraw/zinc/34/71/65/608347165.db2.gz FIUGICJFKDXJMW-UHFFFAOYSA-N -1 3 361.858 3.486 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)C[C@@H](C)c1ccccc1F ZINC000826171407 608350839 /nfs/dbraw/zinc/35/08/39/608350839.db2.gz MQFLUDSRWDZWCC-GFCCVEGCSA-N -1 3 370.384 3.251 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)C[C@@H](C)c1ccccc1F ZINC000826171407 608350841 /nfs/dbraw/zinc/35/08/41/608350841.db2.gz MQFLUDSRWDZWCC-GFCCVEGCSA-N -1 3 370.384 3.251 20 0 FGADHM Cc1cc(CN(C)c2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)no1 ZINC000826266506 608365913 /nfs/dbraw/zinc/36/59/13/608365913.db2.gz QOQFPKYLZXOGDL-UHFFFAOYSA-N -1 3 355.789 3.001 20 0 FGADHM Cc1cc(CN(C)c2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)no1 ZINC000826266506 608365916 /nfs/dbraw/zinc/36/59/16/608365916.db2.gz QOQFPKYLZXOGDL-UHFFFAOYSA-N -1 3 355.789 3.001 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)c1ccc(F)c(Cl)c1 ZINC000826172567 608366064 /nfs/dbraw/zinc/36/60/64/608366064.db2.gz MYAUIXGYZVFPBZ-UHFFFAOYSA-N -1 3 362.748 3.025 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)c1ccc(F)c(Cl)c1 ZINC000826172567 608366065 /nfs/dbraw/zinc/36/60/65/608366065.db2.gz MYAUIXGYZVFPBZ-UHFFFAOYSA-N -1 3 362.748 3.025 20 0 FGADHM Cc1cc(C)c(-c2nnn[n-]2)c(N2CCC(c3c[nH]c4ncccc34)CC2)n1 ZINC000826262052 608374254 /nfs/dbraw/zinc/37/42/54/608374254.db2.gz COPAUDYPSDYYOH-UHFFFAOYSA-N -1 3 374.452 3.139 20 0 FGADHM Cc1cc(C)c(-c2nn[n-]n2)c(N2CCC(c3c[nH]c4ncccc34)CC2)n1 ZINC000826262052 608374256 /nfs/dbraw/zinc/37/42/56/608374256.db2.gz COPAUDYPSDYYOH-UHFFFAOYSA-N -1 3 374.452 3.139 20 0 FGADHM c1[nH]c(CNc2nc3ccccc3cc2-c2nnn[n-]2)nc1-c1ccccc1 ZINC000826518879 608376820 /nfs/dbraw/zinc/37/68/20/608376820.db2.gz BDVVUVVYIYSJGD-UHFFFAOYSA-N -1 3 368.404 3.417 20 0 FGADHM c1[nH]c(CNc2nc3ccccc3cc2-c2nn[n-]n2)nc1-c1ccccc1 ZINC000826518879 608376822 /nfs/dbraw/zinc/37/68/22/608376822.db2.gz BDVVUVVYIYSJGD-UHFFFAOYSA-N -1 3 368.404 3.417 20 0 FGADHM CC(C)n1cnnc1[C@H]1CCCN(c2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000824377594 608378747 /nfs/dbraw/zinc/37/87/47/608378747.db2.gz IBLDQQNLNSCOOH-LBPRGKRZSA-N -1 3 372.864 3.077 20 0 FGADHM CC(C)n1cnnc1[C@H]1CCCN(c2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000824377594 608378748 /nfs/dbraw/zinc/37/87/48/608378748.db2.gz IBLDQQNLNSCOOH-LBPRGKRZSA-N -1 3 372.864 3.077 20 0 FGADHM CCc1ccc(NCC(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1CC ZINC000825716882 608388346 /nfs/dbraw/zinc/38/83/46/608388346.db2.gz CGNLQUSFAJCMKC-UHFFFAOYSA-N -1 3 350.426 3.042 20 0 FGADHM CCc1ccc(NCC(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1CC ZINC000825716882 608388347 /nfs/dbraw/zinc/38/83/47/608388347.db2.gz CGNLQUSFAJCMKC-UHFFFAOYSA-N -1 3 350.426 3.042 20 0 FGADHM CC[C@H](NC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1)C(C)C ZINC000825133029 608397671 /nfs/dbraw/zinc/39/76/71/608397671.db2.gz HOYGOKCFWAAULF-KRWDZBQOSA-N -1 3 354.458 3.100 20 0 FGADHM CC[C@H](NC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1)C(C)C ZINC000825133029 608397673 /nfs/dbraw/zinc/39/76/73/608397673.db2.gz HOYGOKCFWAAULF-KRWDZBQOSA-N -1 3 354.458 3.100 20 0 FGADHM Fc1c(CN[C@@H](c2ccccc2)C(F)(F)F)cccc1-c1nnn[n-]1 ZINC000826371248 608402918 /nfs/dbraw/zinc/40/29/18/608402918.db2.gz YHECUFFOWKDUJH-AWEZNQCLSA-N -1 3 351.307 3.399 20 0 FGADHM Fc1c(CN[C@@H](c2ccccc2)C(F)(F)F)cccc1-c1nn[n-]n1 ZINC000826371248 608402920 /nfs/dbraw/zinc/40/29/20/608402920.db2.gz YHECUFFOWKDUJH-AWEZNQCLSA-N -1 3 351.307 3.399 20 0 FGADHM COc1ccc(COCCSCc2cccc(-c3nnn[n-]3)c2F)cc1 ZINC000826206908 608404064 /nfs/dbraw/zinc/40/40/64/608404064.db2.gz QOUBSGDDGXSBKY-UHFFFAOYSA-N -1 3 374.441 3.464 20 0 FGADHM COc1ccc(COCCSCc2cccc(-c3nn[n-]n3)c2F)cc1 ZINC000826206908 608404065 /nfs/dbraw/zinc/40/40/65/608404065.db2.gz QOUBSGDDGXSBKY-UHFFFAOYSA-N -1 3 374.441 3.464 20 0 FGADHM Cc1cc([C@H]2CN(Cc3cccc(-c4nnn[n-]4)c3F)CCO2)ccc1F ZINC000826266177 608420800 /nfs/dbraw/zinc/42/08/00/608420800.db2.gz FQUDTGJPMAOTOB-QGZVFWFLSA-N -1 3 371.391 3.027 20 0 FGADHM Cc1cc([C@H]2CN(Cc3cccc(-c4nn[n-]n4)c3F)CCO2)ccc1F ZINC000826266177 608420805 /nfs/dbraw/zinc/42/08/05/608420805.db2.gz FQUDTGJPMAOTOB-QGZVFWFLSA-N -1 3 371.391 3.027 20 0 FGADHM Cc1cc([C@@H]2CN(Cc3cccc(-c4nnn[n-]4)c3F)CCO2)ccc1F ZINC000826266176 608420971 /nfs/dbraw/zinc/42/09/71/608420971.db2.gz FQUDTGJPMAOTOB-KRWDZBQOSA-N -1 3 371.391 3.027 20 0 FGADHM Cc1cc([C@@H]2CN(Cc3cccc(-c4nn[n-]n4)c3F)CCO2)ccc1F ZINC000826266176 608420973 /nfs/dbraw/zinc/42/09/73/608420973.db2.gz FQUDTGJPMAOTOB-KRWDZBQOSA-N -1 3 371.391 3.027 20 0 FGADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@@H](C)c1ccccc1Cl ZINC000824745178 608433219 /nfs/dbraw/zinc/43/32/19/608433219.db2.gz OCZKGJMDKZXEDS-NWDGAFQWSA-N -1 3 371.828 3.165 20 0 FGADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@@H](C)c1ccccc1Cl ZINC000824745178 608433221 /nfs/dbraw/zinc/43/32/21/608433221.db2.gz OCZKGJMDKZXEDS-NWDGAFQWSA-N -1 3 371.828 3.165 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(C(F)(F)F)nn1 ZINC000825323048 608434134 /nfs/dbraw/zinc/43/41/34/608434134.db2.gz NOSAPBWYAKQJHR-UHFFFAOYSA-N -1 3 363.347 3.092 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(C(F)(F)F)nn1 ZINC000825323048 608434136 /nfs/dbraw/zinc/43/41/36/608434136.db2.gz NOSAPBWYAKQJHR-UHFFFAOYSA-N -1 3 363.347 3.092 20 0 FGADHM Cc1ccc2c(CC(=O)OCc3cccc(-c4nnn[n-]4)c3F)coc2c1 ZINC000826293650 608436692 /nfs/dbraw/zinc/43/66/92/608436692.db2.gz WYXZESIDFXSGLK-UHFFFAOYSA-N -1 3 366.352 3.346 20 0 FGADHM Cc1ccc2c(CC(=O)OCc3cccc(-c4nn[n-]n4)c3F)coc2c1 ZINC000826293650 608436693 /nfs/dbraw/zinc/43/66/93/608436693.db2.gz WYXZESIDFXSGLK-UHFFFAOYSA-N -1 3 366.352 3.346 20 0 FGADHM COc1cc(Cl)ccc1C(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826180105 608444522 /nfs/dbraw/zinc/44/45/22/608444522.db2.gz RZSRQSNPHNEWCI-UHFFFAOYSA-N -1 3 362.748 3.025 20 0 FGADHM COc1cc(Cl)ccc1C(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826180105 608444523 /nfs/dbraw/zinc/44/45/23/608444523.db2.gz RZSRQSNPHNEWCI-UHFFFAOYSA-N -1 3 362.748 3.025 20 0 FGADHM C[C@H](CSc1ccccc1)C(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000824448116 608447852 /nfs/dbraw/zinc/44/78/52/608447852.db2.gz FXMKFYYRFBYTPN-GFCCVEGCSA-N -1 3 372.425 3.477 20 0 FGADHM C[C@H](CSc1ccccc1)C(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000824448116 608447854 /nfs/dbraw/zinc/44/78/54/608447854.db2.gz FXMKFYYRFBYTPN-GFCCVEGCSA-N -1 3 372.425 3.477 20 0 FGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)c1ncoc1-c1ccccc1 ZINC000826466763 608448784 /nfs/dbraw/zinc/44/87/84/608448784.db2.gz SHNXCKRBEVYCFZ-UHFFFAOYSA-N -1 3 365.324 3.018 20 0 FGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)c1ncoc1-c1ccccc1 ZINC000826466763 608448786 /nfs/dbraw/zinc/44/87/86/608448786.db2.gz SHNXCKRBEVYCFZ-UHFFFAOYSA-N -1 3 365.324 3.018 20 0 FGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)[C@H]1C[C@H]1c1c(F)cccc1F ZINC000826466355 608448919 /nfs/dbraw/zinc/44/89/19/608448919.db2.gz YNEGXEWAUHLNLH-NEPJUHHUSA-N -1 3 374.322 3.131 20 0 FGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)[C@H]1C[C@H]1c1c(F)cccc1F ZINC000826466355 608448920 /nfs/dbraw/zinc/44/89/20/608448920.db2.gz YNEGXEWAUHLNLH-NEPJUHHUSA-N -1 3 374.322 3.131 20 0 FGADHM CS[C@H](C(=O)OCc1cccc(-c2nnn[n-]2)c1F)c1ccccc1 ZINC000826224613 608449833 /nfs/dbraw/zinc/44/98/33/608449833.db2.gz IPGTXBMIOXUGJX-HNNXBMFYSA-N -1 3 358.398 3.153 20 0 FGADHM CS[C@H](C(=O)OCc1cccc(-c2nn[n-]n2)c1F)c1ccccc1 ZINC000826224613 608449835 /nfs/dbraw/zinc/44/98/35/608449835.db2.gz IPGTXBMIOXUGJX-HNNXBMFYSA-N -1 3 358.398 3.153 20 0 FGADHM COc1ccc([C@H](C)CC(=O)OCc2cccc(-c3nnn[n-]3)c2F)cc1 ZINC000826188387 608451372 /nfs/dbraw/zinc/45/13/72/608451372.db2.gz VVIXGZOTKROUAY-GFCCVEGCSA-N -1 3 370.384 3.251 20 0 FGADHM COc1ccc([C@H](C)CC(=O)OCc2cccc(-c3nn[n-]n3)c2F)cc1 ZINC000826188387 608451374 /nfs/dbraw/zinc/45/13/74/608451374.db2.gz VVIXGZOTKROUAY-GFCCVEGCSA-N -1 3 370.384 3.251 20 0 FGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)c1cnc2ccc(F)cc2c1 ZINC000826466938 608455726 /nfs/dbraw/zinc/45/57/26/608455726.db2.gz ZXZIRWZTMSRLIJ-UHFFFAOYSA-N -1 3 367.315 3.050 20 0 FGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)c1cnc2ccc(F)cc2c1 ZINC000826466938 608455727 /nfs/dbraw/zinc/45/57/27/608455727.db2.gz ZXZIRWZTMSRLIJ-UHFFFAOYSA-N -1 3 367.315 3.050 20 0 FGADHM O=C(N1CCc2ccccc21)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826425660 608470054 /nfs/dbraw/zinc/47/00/54/608470054.db2.gz NGRJOYWDFYPKQN-UHFFFAOYSA-N -1 3 372.432 3.139 20 0 FGADHM O=C(N1CCc2ccccc21)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826425660 608470055 /nfs/dbraw/zinc/47/00/55/608470055.db2.gz NGRJOYWDFYPKQN-UHFFFAOYSA-N -1 3 372.432 3.139 20 0 FGADHM C[C@@H](CC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1)c1ccncc1 ZINC000824385522 608479957 /nfs/dbraw/zinc/47/99/57/608479957.db2.gz WCKPYIISJCFOBU-HNNXBMFYSA-N -1 3 374.448 3.071 20 0 FGADHM C[C@@H](CC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1)c1ccncc1 ZINC000824385522 608479958 /nfs/dbraw/zinc/47/99/58/608479958.db2.gz WCKPYIISJCFOBU-HNNXBMFYSA-N -1 3 374.448 3.071 20 0 FGADHM C[C@H](C(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1)C1CCCC1 ZINC000824040429 608480784 /nfs/dbraw/zinc/48/07/84/608480784.db2.gz PQGMEMBDNRVFCA-AWEZNQCLSA-N -1 3 351.454 3.309 20 0 FGADHM C[C@H](C(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1)C1CCCC1 ZINC000824040429 608480786 /nfs/dbraw/zinc/48/07/86/608480786.db2.gz PQGMEMBDNRVFCA-AWEZNQCLSA-N -1 3 351.454 3.309 20 0 FGADHM CCS[C@@H](C(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1)C(C)C ZINC000825669137 608486234 /nfs/dbraw/zinc/48/62/34/608486234.db2.gz QSVUUKJCNHCPGJ-QGZVFWFLSA-N -1 3 371.510 3.260 20 0 FGADHM CCS[C@@H](C(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1)C(C)C ZINC000825669137 608486235 /nfs/dbraw/zinc/48/62/35/608486235.db2.gz QSVUUKJCNHCPGJ-QGZVFWFLSA-N -1 3 371.510 3.260 20 0 FGADHM O=C(c1cc(F)cc(F)c1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826470203 608487182 /nfs/dbraw/zinc/48/71/82/608487182.db2.gz HQGHEWYKSBOSGJ-UHFFFAOYSA-N -1 3 367.359 3.074 20 0 FGADHM O=C(c1cc(F)cc(F)c1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826470203 608487183 /nfs/dbraw/zinc/48/71/83/608487183.db2.gz HQGHEWYKSBOSGJ-UHFFFAOYSA-N -1 3 367.359 3.074 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)Nc1c(F)cc(Cl)cc1F ZINC000826401932 608547899 /nfs/dbraw/zinc/54/78/99/608547899.db2.gz JSOKAQFPOQHSIQ-AATRIKPKSA-N -1 3 361.739 3.450 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)Nc1c(F)cc(Cl)cc1F ZINC000826401932 608547901 /nfs/dbraw/zinc/54/79/01/608547901.db2.gz JSOKAQFPOQHSIQ-AATRIKPKSA-N -1 3 361.739 3.450 20 0 FGADHM CC(C)Oc1ccc(NC(=O)N2CCC[C@H](C)[C@@H]2C)cc1-c1nnn[n-]1 ZINC000824329241 608607645 /nfs/dbraw/zinc/60/76/45/608607645.db2.gz MROVOTFWHIECCE-STQMWFEESA-N -1 3 358.446 3.306 20 0 FGADHM CC(C)Oc1ccc(NC(=O)N2CCC[C@H](C)[C@@H]2C)cc1-c1nn[n-]n1 ZINC000824329241 608607647 /nfs/dbraw/zinc/60/76/47/608607647.db2.gz MROVOTFWHIECCE-STQMWFEESA-N -1 3 358.446 3.306 20 0 FGADHM Fc1ccc(OC2CCN(Cc3cccc(-c4nnn[n-]4)c3F)CC2)cc1 ZINC000826375345 608652635 /nfs/dbraw/zinc/65/26/35/608652635.db2.gz JPBFAVLKNXEYMO-UHFFFAOYSA-N -1 3 371.391 3.188 20 0 FGADHM CC(C)CNc1nnc(SCc2cccc(-c3nnn[n-]3)c2F)s1 ZINC000824267155 608668943 /nfs/dbraw/zinc/66/89/43/608668943.db2.gz ZTTPEFNJQRZVOC-UHFFFAOYSA-N -1 3 365.463 3.218 20 0 FGADHM CC(C)CNc1nnc(SCc2cccc(-c3nn[n-]n3)c2F)s1 ZINC000824267155 608668945 /nfs/dbraw/zinc/66/89/45/608668945.db2.gz ZTTPEFNJQRZVOC-UHFFFAOYSA-N -1 3 365.463 3.218 20 0 FGADHM Clc1ccccc1[C@H]1CN(Cc2cc(-c3nnn[n-]3)cs2)CCO1 ZINC000826353220 608679068 /nfs/dbraw/zinc/67/90/68/608679068.db2.gz GTEKNUVZGNRELP-OAHLLOKOSA-N -1 3 361.858 3.155 20 0 FGADHM Clc1ccccc1[C@H]1CN(Cc2cc(-c3nn[n-]n3)cs2)CCO1 ZINC000826353220 608679071 /nfs/dbraw/zinc/67/90/71/608679071.db2.gz GTEKNUVZGNRELP-OAHLLOKOSA-N -1 3 361.858 3.155 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NCC1(C)Cc2ccccc2C1 ZINC000826278317 608809408 /nfs/dbraw/zinc/80/94/08/608809408.db2.gz XJVYTJBJBXTUCZ-UHFFFAOYSA-N -1 3 362.437 3.102 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NCC1(C)Cc2ccccc2C1 ZINC000826278317 608809409 /nfs/dbraw/zinc/80/94/09/608809409.db2.gz XJVYTJBJBXTUCZ-UHFFFAOYSA-N -1 3 362.437 3.102 20 0 FGADHM Cc1cc(C)cc(C2=CCN(C(=O)c3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000826264081 608829113 /nfs/dbraw/zinc/82/91/13/608829113.db2.gz BGOROIWRIKNCFB-UHFFFAOYSA-N -1 3 359.433 3.413 20 0 FGADHM Cc1cc(C)cc(C2=CCN(C(=O)c3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000826264081 608829116 /nfs/dbraw/zinc/82/91/16/608829116.db2.gz BGOROIWRIKNCFB-UHFFFAOYSA-N -1 3 359.433 3.413 20 0 FGADHM CCCCOc1ccccc1NCc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000825296749 608858862 /nfs/dbraw/zinc/85/88/62/608858862.db2.gz UULOJZAWQSCPNH-UHFFFAOYSA-N -1 3 363.425 3.305 20 0 FGADHM CCCCOc1ccccc1NCc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000825296749 608858863 /nfs/dbraw/zinc/85/88/63/608858863.db2.gz UULOJZAWQSCPNH-UHFFFAOYSA-N -1 3 363.425 3.305 20 0 FGADHM CCN(C)[C@H](C(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000825391197 609144562 /nfs/dbraw/zinc/14/45/62/609144562.db2.gz WJWQXUUXLOIYSJ-KSSFIOAISA-N -1 3 365.437 3.164 20 0 FGADHM CCN(C)[C@H](C(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000825391197 609144564 /nfs/dbraw/zinc/14/45/64/609144564.db2.gz WJWQXUUXLOIYSJ-KSSFIOAISA-N -1 3 365.437 3.164 20 0 FGADHM COc1ccc([C@@H](NCc2cccc(-c3nnn[n-]3)c2)C(F)(F)F)cc1 ZINC000826188748 609150104 /nfs/dbraw/zinc/15/01/04/609150104.db2.gz FLXOBANCSDRPJH-OAHLLOKOSA-N -1 3 363.343 3.269 20 0 FGADHM COc1ccc([C@@H](NCc2cccc(-c3nn[n-]n3)c2)C(F)(F)F)cc1 ZINC000826188748 609150105 /nfs/dbraw/zinc/15/01/05/609150105.db2.gz FLXOBANCSDRPJH-OAHLLOKOSA-N -1 3 363.343 3.269 20 0 FGADHM CC[C@@H](C)OCC(=O)Nc1c(-c2nnn[n-]2)c(C)c(C)n1-c1ccccc1 ZINC000825073664 609165533 /nfs/dbraw/zinc/16/55/33/609165533.db2.gz AFQYKVAHZRVDME-GFCCVEGCSA-N -1 3 368.441 3.028 20 0 FGADHM CC[C@@H](C)OCC(=O)Nc1c(-c2nn[n-]n2)c(C)c(C)n1-c1ccccc1 ZINC000825073664 609165534 /nfs/dbraw/zinc/16/55/34/609165534.db2.gz AFQYKVAHZRVDME-GFCCVEGCSA-N -1 3 368.441 3.028 20 0 FGADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)CCOC(C)C)c1-c1nnn[n-]1 ZINC000826233399 609165746 /nfs/dbraw/zinc/16/57/46/609165746.db2.gz FVQJJBYUIIMIJT-UHFFFAOYSA-N -1 3 368.441 3.028 20 0 FGADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)CCOC(C)C)c1-c1nn[n-]n1 ZINC000826233399 609165747 /nfs/dbraw/zinc/16/57/47/609165747.db2.gz FVQJJBYUIIMIJT-UHFFFAOYSA-N -1 3 368.441 3.028 20 0 FGADHM C[C@@H](Nc1ccc(CN2CCCC2=O)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824655114 609172397 /nfs/dbraw/zinc/17/23/97/609172397.db2.gz BGNYUOOFQFUABV-CQSZACIVSA-N -1 3 362.437 3.162 20 0 FGADHM C[C@@H](Nc1ccc(CN2CCCC2=O)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824655114 609172399 /nfs/dbraw/zinc/17/23/99/609172399.db2.gz BGNYUOOFQFUABV-CQSZACIVSA-N -1 3 362.437 3.162 20 0 FGADHM Cc1ccccc1C1CC(N(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C2CC2)C1 ZINC000826307116 609218024 /nfs/dbraw/zinc/21/80/24/609218024.db2.gz WYXZSUKMJNLWNY-UHFFFAOYSA-N -1 3 362.437 3.054 20 0 FGADHM Cc1ccccc1C1CC(N(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C2CC2)C1 ZINC000826307116 609218026 /nfs/dbraw/zinc/21/80/26/609218026.db2.gz WYXZSUKMJNLWNY-UHFFFAOYSA-N -1 3 362.437 3.054 20 0 FGADHM CC1(C)CC[C@@H]2C[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)c3cccc1c32 ZINC000824803794 609232334 /nfs/dbraw/zinc/23/23/34/609232334.db2.gz XJORRFJUZRBVQK-ABAIWWIYSA-N -1 3 362.437 3.225 20 0 FGADHM CC1(C)CC[C@@H]2C[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)c3cccc1c32 ZINC000824803794 609232335 /nfs/dbraw/zinc/23/23/35/609232335.db2.gz XJORRFJUZRBVQK-ABAIWWIYSA-N -1 3 362.437 3.225 20 0 FGADHM CSc1ccccc1CC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000826230696 609237599 /nfs/dbraw/zinc/23/75/99/609237599.db2.gz FZMAMKJTEIUBSN-UHFFFAOYSA-N -1 3 359.842 3.423 20 0 FGADHM CSc1ccccc1CC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000826230696 609237601 /nfs/dbraw/zinc/23/76/01/609237601.db2.gz FZMAMKJTEIUBSN-UHFFFAOYSA-N -1 3 359.842 3.423 20 0 FGADHM CC[C@H](C[C@@H](C)CC)Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1 ZINC000825059396 609242066 /nfs/dbraw/zinc/24/20/66/609242066.db2.gz FEMMXBWVQRYPRH-LSDHHAIUSA-N -1 3 372.517 3.455 20 0 FGADHM CC[C@H](C[C@@H](C)CC)Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1 ZINC000825059396 609242068 /nfs/dbraw/zinc/24/20/68/609242068.db2.gz FEMMXBWVQRYPRH-LSDHHAIUSA-N -1 3 372.517 3.455 20 0 FGADHM CC(C)[C@H](N[C@H]1CCCc2cc(-c3nnn[n-]3)ccc21)C(=O)OC(C)(C)C ZINC000824337565 609248211 /nfs/dbraw/zinc/24/82/11/609248211.db2.gz AXAJINLGWQXXFX-IRXDYDNUSA-N -1 3 371.485 3.200 20 0 FGADHM CC(C)[C@H](N[C@H]1CCCc2cc(-c3nn[n-]n3)ccc21)C(=O)OC(C)(C)C ZINC000824337565 609248213 /nfs/dbraw/zinc/24/82/13/609248213.db2.gz AXAJINLGWQXXFX-IRXDYDNUSA-N -1 3 371.485 3.200 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C=Cc1ccc(O)cc1 ZINC000825313421 609267818 /nfs/dbraw/zinc/26/78/18/609267818.db2.gz FHMMPYSHHOKENJ-GHXNOFRVSA-N -1 3 363.421 3.024 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C=Cc1ccc(O)cc1 ZINC000825313421 609267819 /nfs/dbraw/zinc/26/78/19/609267819.db2.gz FHMMPYSHHOKENJ-GHXNOFRVSA-N -1 3 363.421 3.024 20 0 FGADHM COCCCOc1ccccc1N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826157338 609277200 /nfs/dbraw/zinc/27/72/00/609277200.db2.gz RIXFXVGELKIGAH-CQSZACIVSA-N -1 3 353.426 3.455 20 0 FGADHM COCCCOc1ccccc1N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826157338 609277202 /nfs/dbraw/zinc/27/72/02/609277202.db2.gz RIXFXVGELKIGAH-CQSZACIVSA-N -1 3 353.426 3.455 20 0 FGADHM C[C@@H](Nc1ccccc1SCCC(N)=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824663095 609278152 /nfs/dbraw/zinc/27/81/52/609278152.db2.gz VSMMWGAVSRUNEU-GFCCVEGCSA-N -1 3 368.466 3.007 20 0 FGADHM C[C@@H](Nc1ccccc1SCCC(N)=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824663095 609278154 /nfs/dbraw/zinc/27/81/54/609278154.db2.gz VSMMWGAVSRUNEU-GFCCVEGCSA-N -1 3 368.466 3.007 20 0 FGADHM COc1cc(OC)c(OC)cc1N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826181155 609279891 /nfs/dbraw/zinc/27/98/91/609279891.db2.gz MXQOPMJKDIPTQJ-LLVKDONJSA-N -1 3 355.398 3.066 20 0 FGADHM COc1cc(OC)c(OC)cc1N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826181155 609279893 /nfs/dbraw/zinc/27/98/93/609279893.db2.gz MXQOPMJKDIPTQJ-LLVKDONJSA-N -1 3 355.398 3.066 20 0 FGADHM Cc1ccc(N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1C(=O)NC(C)C ZINC000826291833 609280554 /nfs/dbraw/zinc/28/05/54/609280554.db2.gz YBDKRESLPPHZJZ-AWEZNQCLSA-N -1 3 364.453 3.486 20 0 FGADHM Cc1ccc(N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1C(=O)NC(C)C ZINC000826291833 609280556 /nfs/dbraw/zinc/28/05/56/609280556.db2.gz YBDKRESLPPHZJZ-AWEZNQCLSA-N -1 3 364.453 3.486 20 0 FGADHM Cc1nc2cc(NCCOc3cccc(-c4nnn[n-]4)c3)ccc2s1 ZINC000826329239 609280991 /nfs/dbraw/zinc/28/09/91/609280991.db2.gz VQEOQSBFFFNQES-UHFFFAOYSA-N -1 3 352.423 3.276 20 0 FGADHM Cc1nc2cc(NCCOc3cccc(-c4nn[n-]n4)c3)ccc2s1 ZINC000826329239 609280992 /nfs/dbraw/zinc/28/09/92/609280992.db2.gz VQEOQSBFFFNQES-UHFFFAOYSA-N -1 3 352.423 3.276 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C=Cc1ccc(C)nc1 ZINC000825313871 609296417 /nfs/dbraw/zinc/29/64/17/609296417.db2.gz UIVBIKHAXQRNHN-DHZHZOJOSA-N -1 3 362.437 3.022 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C=Cc1ccc(C)nc1 ZINC000825313871 609296419 /nfs/dbraw/zinc/29/64/19/609296419.db2.gz UIVBIKHAXQRNHN-DHZHZOJOSA-N -1 3 362.437 3.022 20 0 FGADHM O=C(Nc1ccc(-c2cnco2)cc1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826451744 609298891 /nfs/dbraw/zinc/29/88/91/609298891.db2.gz VGFQHSMRNXZLLV-UHFFFAOYSA-N -1 3 366.768 3.427 20 0 FGADHM O=C(Nc1ccc(-c2cnco2)cc1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826451744 609298893 /nfs/dbraw/zinc/29/88/93/609298893.db2.gz VGFQHSMRNXZLLV-UHFFFAOYSA-N -1 3 366.768 3.427 20 0 FGADHM Cc1ccc(C[C@@H](C)NC(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)s1 ZINC000826287557 609300254 /nfs/dbraw/zinc/30/02/54/609300254.db2.gz TZLLGACTEDMOCE-SECBINFHSA-N -1 3 361.858 3.251 20 0 FGADHM Cc1ccc(C[C@@H](C)NC(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)s1 ZINC000826287557 609300257 /nfs/dbraw/zinc/30/02/57/609300257.db2.gz TZLLGACTEDMOCE-SECBINFHSA-N -1 3 361.858 3.251 20 0 FGADHM C[C@@H](CNC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1)C1CC1 ZINC000824429474 609313997 /nfs/dbraw/zinc/31/39/97/609313997.db2.gz XRKMSCSGFCBXIB-ZDUSSCGKSA-N -1 3 363.421 3.435 20 0 FGADHM C[C@@H](CNC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1)C1CC1 ZINC000824429474 609313999 /nfs/dbraw/zinc/31/39/99/609313999.db2.gz XRKMSCSGFCBXIB-ZDUSSCGKSA-N -1 3 363.421 3.435 20 0 FGADHM CCc1cc(N[C@H](C)C(=O)Nc2ccccc2-c2nnn[n-]2)ccc1C ZINC000825700612 609314697 /nfs/dbraw/zinc/31/46/97/609314697.db2.gz MOGWZNMTZBGSPM-CYBMUJFWSA-N -1 3 350.426 3.177 20 0 FGADHM CCc1cc(N[C@H](C)C(=O)Nc2ccccc2-c2nn[n-]n2)ccc1C ZINC000825700612 609314698 /nfs/dbraw/zinc/31/46/98/609314698.db2.gz MOGWZNMTZBGSPM-CYBMUJFWSA-N -1 3 350.426 3.177 20 0 FGADHM C[C@@H]1CCN(c2c(-c3nnn[n-]3)cnc3c(F)ccc(Cl)c32)C[C@H]1F ZINC000824961871 609318668 /nfs/dbraw/zinc/31/86/68/609318668.db2.gz KDMHTDPAHNXSRH-PRHODGIISA-N -1 3 364.787 3.392 20 0 FGADHM C[C@@H]1CCN(c2c(-c3nn[n-]n3)cnc3c(F)ccc(Cl)c32)C[C@H]1F ZINC000824961871 609318670 /nfs/dbraw/zinc/31/86/70/609318670.db2.gz KDMHTDPAHNXSRH-PRHODGIISA-N -1 3 364.787 3.392 20 0 FGADHM CCC(CC)[C@H]1C[C@H](Nc2c(-c3nnn[n-]3)cnc3ccccc32)CCO1 ZINC000825107076 609321994 /nfs/dbraw/zinc/32/19/94/609321994.db2.gz KTHBOFUVLMTZKN-RDTXWAMCSA-N -1 3 366.469 3.233 20 0 FGADHM CCC(CC)[C@H]1C[C@H](Nc2c(-c3nn[n-]n3)cnc3ccccc32)CCO1 ZINC000825107076 609321996 /nfs/dbraw/zinc/32/19/96/609321996.db2.gz KTHBOFUVLMTZKN-RDTXWAMCSA-N -1 3 366.469 3.233 20 0 FGADHM COc1ccc(OC)c([C@H](C)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000826211025 609323923 /nfs/dbraw/zinc/32/39/23/609323923.db2.gz MTBVCHSFGUEHAB-NEPJUHHUSA-N -1 3 371.416 3.435 20 0 FGADHM CN(C(=O)[C@H](F)Cc1ccccc1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000825812990 609327720 /nfs/dbraw/zinc/32/77/20/609327720.db2.gz ZOZMEHCWLIUMFT-CQSZACIVSA-N -1 3 359.792 3.064 20 0 FGADHM CN(C(=O)[C@H](F)Cc1ccccc1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000825812990 609327722 /nfs/dbraw/zinc/32/77/22/609327722.db2.gz ZOZMEHCWLIUMFT-CQSZACIVSA-N -1 3 359.792 3.064 20 0 FGADHM C/C(=C/C(=O)OCc1ccc(-c2nnn[n-]2)cc1Br)C1CC1 ZINC000823943909 609342606 /nfs/dbraw/zinc/34/26/06/609342606.db2.gz UWOGBIJZYYCZPW-TWGQIWQCSA-N -1 3 363.215 3.029 20 0 FGADHM C/C(=C/C(=O)OCc1ccc(-c2nn[n-]n2)cc1Br)C1CC1 ZINC000823943909 609342607 /nfs/dbraw/zinc/34/26/07/609342607.db2.gz UWOGBIJZYYCZPW-TWGQIWQCSA-N -1 3 363.215 3.029 20 0 FGADHM CC(=O)Nc1cc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2F)ccc1C ZINC000823999555 609345896 /nfs/dbraw/zinc/34/58/96/609345896.db2.gz FBGJVEIBCOIXFS-LLVKDONJSA-N -1 3 354.389 3.446 20 0 FGADHM CC(=O)Nc1cc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2F)ccc1C ZINC000823999555 609345898 /nfs/dbraw/zinc/34/58/98/609345898.db2.gz FBGJVEIBCOIXFS-LLVKDONJSA-N -1 3 354.389 3.446 20 0 FGADHM C[C@@H](c1ccco1)N(C)Cc1ccc(-c2nnn[n-]2)cc1Br ZINC000824772085 609357962 /nfs/dbraw/zinc/35/79/62/609357962.db2.gz TYJLTFIPXATQPF-JTQLQIEISA-N -1 3 362.231 3.415 20 0 FGADHM C[C@@H](c1ccco1)N(C)Cc1ccc(-c2nn[n-]n2)cc1Br ZINC000824772085 609357963 /nfs/dbraw/zinc/35/79/63/609357963.db2.gz TYJLTFIPXATQPF-JTQLQIEISA-N -1 3 362.231 3.415 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)C[C@@H]1CCO[C@H](C(C)C)C1 ZINC000825609335 609371775 /nfs/dbraw/zinc/37/17/75/609371775.db2.gz KAHMPEKVSIOTKO-CJNGLKHVSA-N -1 3 374.441 3.012 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)C[C@@H]1CCO[C@H](C(C)C)C1 ZINC000825609335 609371777 /nfs/dbraw/zinc/37/17/77/609371777.db2.gz KAHMPEKVSIOTKO-CJNGLKHVSA-N -1 3 374.441 3.012 20 0 FGADHM C[C@@H](OC(=O)CCc1ccc(-c2nnn[n-]2)cc1)c1nc2ccccc2o1 ZINC000824716597 609402951 /nfs/dbraw/zinc/40/29/51/609402951.db2.gz YRPURYHPEDRMCG-GFCCVEGCSA-N -1 3 363.377 3.245 20 0 FGADHM C[C@@H](OC(=O)CCc1ccc(-c2nn[n-]n2)cc1)c1nc2ccccc2o1 ZINC000824716597 609402952 /nfs/dbraw/zinc/40/29/52/609402952.db2.gz YRPURYHPEDRMCG-GFCCVEGCSA-N -1 3 363.377 3.245 20 0 FGADHM CC[C@@H](C)c1ccc(OCC(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825076464 609418180 /nfs/dbraw/zinc/41/81/80/609418180.db2.gz VQACMOCJQYLZMG-CYBMUJFWSA-N -1 3 351.410 3.398 20 0 FGADHM CC[C@@H](C)c1ccc(OCC(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825076464 609418182 /nfs/dbraw/zinc/41/81/82/609418182.db2.gz VQACMOCJQYLZMG-CYBMUJFWSA-N -1 3 351.410 3.398 20 0 FGADHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CCCc1cccc(F)c1 ZINC000826335119 609421912 /nfs/dbraw/zinc/42/19/12/609421912.db2.gz ZBSREESTCWBYNU-UHFFFAOYSA-N -1 3 363.400 3.206 20 0 FGADHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CCCc1cccc(F)c1 ZINC000826335119 609421914 /nfs/dbraw/zinc/42/19/14/609421914.db2.gz ZBSREESTCWBYNU-UHFFFAOYSA-N -1 3 363.400 3.206 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1CNc1c(F)cccc1NC(C)C ZINC000826184268 609440407 /nfs/dbraw/zinc/44/04/07/609440407.db2.gz QQBJSUYLCAAORR-UHFFFAOYSA-N -1 3 356.405 3.447 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1CNc1c(F)cccc1NC(C)C ZINC000826184268 609440408 /nfs/dbraw/zinc/44/04/08/609440408.db2.gz QQBJSUYLCAAORR-UHFFFAOYSA-N -1 3 356.405 3.447 20 0 FGADHM CCNC(=S)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825476291 609443212 /nfs/dbraw/zinc/44/32/12/609443212.db2.gz FIBRTUTVPOPSOY-LBPRGKRZSA-N -1 3 352.467 3.079 20 0 FGADHM CCNC(=S)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825476291 609443215 /nfs/dbraw/zinc/44/32/15/609443215.db2.gz FIBRTUTVPOPSOY-LBPRGKRZSA-N -1 3 352.467 3.079 20 0 FGADHM S=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)Nc1cccc2c1OCO2 ZINC000826512052 609445364 /nfs/dbraw/zinc/44/53/64/609445364.db2.gz MXWUIVQKIOLUTK-UHFFFAOYSA-N -1 3 374.813 3.058 20 0 FGADHM S=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)Nc1cccc2c1OCO2 ZINC000826512052 609445367 /nfs/dbraw/zinc/44/53/67/609445367.db2.gz MXWUIVQKIOLUTK-UHFFFAOYSA-N -1 3 374.813 3.058 20 0 FGADHM CC(=Cc1ccc(C)cc1)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000823943998 609451676 /nfs/dbraw/zinc/45/16/76/609451676.db2.gz WRTISPHDBPAVRG-UKTHLTGXSA-N -1 3 351.385 3.034 20 0 FGADHM CC(=Cc1ccc(C)cc1)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000823943998 609451677 /nfs/dbraw/zinc/45/16/77/609451677.db2.gz WRTISPHDBPAVRG-UKTHLTGXSA-N -1 3 351.385 3.034 20 0 FGADHM O=C(CSc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccc[nH]1 ZINC000826420730 609453650 /nfs/dbraw/zinc/45/36/50/609453650.db2.gz ZINDCZWFQXNEIT-UHFFFAOYSA-N -1 3 353.329 3.189 20 0 FGADHM O=C(CSc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccc[nH]1 ZINC000826420730 609453652 /nfs/dbraw/zinc/45/36/52/609453652.db2.gz ZINDCZWFQXNEIT-UHFFFAOYSA-N -1 3 353.329 3.189 20 0 FGADHM C[C@H]1CCC[C@@H]1C(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000824929176 609468417 /nfs/dbraw/zinc/46/84/17/609468417.db2.gz WWWQJOYUSCBUOT-NHYWBVRUSA-N -1 3 368.466 3.289 20 0 FGADHM C[C@H]1CCC[C@@H]1C(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000824929176 609468418 /nfs/dbraw/zinc/46/84/18/609468418.db2.gz WWWQJOYUSCBUOT-NHYWBVRUSA-N -1 3 368.466 3.289 20 0 FGADHM O=C(c1c(F)cc(-c2nnn[n-]2)cc1F)N1CCC[C@@H]1c1ccccc1 ZINC000826468708 609470184 /nfs/dbraw/zinc/47/01/84/609470184.db2.gz DQBGMMWIXOOODS-OAHLLOKOSA-N -1 3 355.348 3.122 20 0 FGADHM O=C(c1c(F)cc(-c2nn[n-]n2)cc1F)N1CCC[C@@H]1c1ccccc1 ZINC000826468708 609470186 /nfs/dbraw/zinc/47/01/86/609470186.db2.gz DQBGMMWIXOOODS-OAHLLOKOSA-N -1 3 355.348 3.122 20 0 FGADHM CCOc1cc2c(cc1NCc1cccc(-c3nnn[n-]3)c1F)O[C@H](C)C2 ZINC000825620416 609475676 /nfs/dbraw/zinc/47/56/76/609475676.db2.gz AYDWENWISDHBAM-LLVKDONJSA-N -1 3 369.400 3.340 20 0 FGADHM CCOc1cc2c(cc1NCc1cccc(-c3nn[n-]n3)c1F)O[C@H](C)C2 ZINC000825620416 609475678 /nfs/dbraw/zinc/47/56/78/609475678.db2.gz AYDWENWISDHBAM-LLVKDONJSA-N -1 3 369.400 3.340 20 0 FGADHM COc1ccc(CNc2cc(-c3nnn[n-]3)ccc2C)c(Cl)c1OC ZINC000826203257 609482258 /nfs/dbraw/zinc/48/22/58/609482258.db2.gz GWINYEOWVBISLO-UHFFFAOYSA-N -1 3 359.817 3.458 20 0 FGADHM COc1ccc(CNc2cc(-c3nn[n-]n3)ccc2C)c(Cl)c1OC ZINC000826203257 609482259 /nfs/dbraw/zinc/48/22/59/609482259.db2.gz GWINYEOWVBISLO-UHFFFAOYSA-N -1 3 359.817 3.458 20 0 FGADHM CCOc1cccc(CSc2nc3c(c(C)c2-c2nnn[n-]2)CCC3)n1 ZINC000825648833 609485305 /nfs/dbraw/zinc/48/53/05/609485305.db2.gz DJXUADRQTMOJME-UHFFFAOYSA-N -1 3 368.466 3.145 20 0 FGADHM CCOc1cccc(CSc2nc3c(c(C)c2-c2nn[n-]n2)CCC3)n1 ZINC000825648833 609485307 /nfs/dbraw/zinc/48/53/07/609485307.db2.gz DJXUADRQTMOJME-UHFFFAOYSA-N -1 3 368.466 3.145 20 0 FGADHM CCOC(=O)Nc1ccc(NCc2ccc(CC)o2)cc1-c1nnn[n-]1 ZINC000825552981 609490818 /nfs/dbraw/zinc/49/08/18/609490818.db2.gz GZDZYQPKXXRGPA-UHFFFAOYSA-N -1 3 356.386 3.203 20 0 FGADHM CCOC(=O)Nc1ccc(NCc2ccc(CC)o2)cc1-c1nn[n-]n1 ZINC000825552981 609490819 /nfs/dbraw/zinc/49/08/19/609490819.db2.gz GZDZYQPKXXRGPA-UHFFFAOYSA-N -1 3 356.386 3.203 20 0 FGADHM Cc1nn(-c2ccc(-c3nn[n-]n3)cc2)c(NC(=O)[C@@H]2CCC[C@@H]2C)c1C ZINC000826331767 609503085 /nfs/dbraw/zinc/50/30/85/609503085.db2.gz XHFQVAKTTNIBCO-MEDUHNTESA-N -1 3 365.441 3.044 20 0 FGADHM Cc1c(Cl)cnc(N2CCOc3ccccc3[C@@H]2C)c1-c1nnn[n-]1 ZINC000826238927 609543938 /nfs/dbraw/zinc/54/39/38/609543938.db2.gz SSHVYUAETXOZIP-NSHDSACASA-N -1 3 356.817 3.184 20 0 FGADHM Cc1c(Cl)cnc(N2CCOc3ccccc3[C@@H]2C)c1-c1nn[n-]n1 ZINC000826238927 609543939 /nfs/dbraw/zinc/54/39/39/609543939.db2.gz SSHVYUAETXOZIP-NSHDSACASA-N -1 3 356.817 3.184 20 0 FGADHM CCCOc1ccc(CNc2ncc(Cl)c(C)c2-c2nnn[n-]2)cn1 ZINC000825339406 609549552 /nfs/dbraw/zinc/54/95/52/609549552.db2.gz ZDSUCOWPODMSRW-UHFFFAOYSA-N -1 3 359.821 3.019 20 0 FGADHM CCCOc1ccc(CNc2ncc(Cl)c(C)c2-c2nn[n-]n2)cn1 ZINC000825339406 609549553 /nfs/dbraw/zinc/54/95/53/609549553.db2.gz ZDSUCOWPODMSRW-UHFFFAOYSA-N -1 3 359.821 3.019 20 0 FGADHM Cc1cc(OCc2cccc(-c3nnn[n-]3)c2)ccc1NC(=O)C1=CCC1 ZINC000826271905 609557927 /nfs/dbraw/zinc/55/79/27/609557927.db2.gz MIPXZDDFBLHFST-UHFFFAOYSA-N -1 3 361.405 3.413 20 0 FGADHM Cc1cc(OCc2cccc(-c3nn[n-]n3)c2)ccc1NC(=O)C1=CCC1 ZINC000826271905 609557929 /nfs/dbraw/zinc/55/79/29/609557929.db2.gz MIPXZDDFBLHFST-UHFFFAOYSA-N -1 3 361.405 3.413 20 0 FGADHM Cc1nc(NCc2cc(-c3nnn[n-]3)ccc2F)ccc1Br ZINC000826327483 609561947 /nfs/dbraw/zinc/56/19/47/609561947.db2.gz JOZOCFJYZXCCPO-UHFFFAOYSA-N -1 3 363.194 3.084 20 0 FGADHM Cc1nc(NCc2cc(-c3nn[n-]n3)ccc2F)ccc1Br ZINC000826327483 609561951 /nfs/dbraw/zinc/56/19/51/609561951.db2.gz JOZOCFJYZXCCPO-UHFFFAOYSA-N -1 3 363.194 3.084 20 0 FGADHM Cc1c(Cl)cnc(N[C@H]2COc3c2cccc3Cl)c1-c1nnn[n-]1 ZINC000826239226 609575940 /nfs/dbraw/zinc/57/59/40/609575940.db2.gz ABINISKMMAXCRZ-NSHDSACASA-N -1 3 363.208 3.423 20 0 FGADHM Cc1c(Cl)cnc(N[C@H]2COc3c2cccc3Cl)c1-c1nn[n-]n1 ZINC000826239226 609575942 /nfs/dbraw/zinc/57/59/42/609575942.db2.gz ABINISKMMAXCRZ-NSHDSACASA-N -1 3 363.208 3.423 20 0 FGADHM Cc1c(Cl)cnc(N2CCC[C@@H](Nc3ccccc3)C2)c1-c1nnn[n-]1 ZINC000826237463 609576637 /nfs/dbraw/zinc/57/66/37/609576637.db2.gz AQHWMNVAJUNYAC-CQSZACIVSA-N -1 3 369.860 3.304 20 0 FGADHM Cc1c(Cl)cnc(N2CCC[C@@H](Nc3ccccc3)C2)c1-c1nn[n-]n1 ZINC000826237463 609576638 /nfs/dbraw/zinc/57/66/38/609576638.db2.gz AQHWMNVAJUNYAC-CQSZACIVSA-N -1 3 369.860 3.304 20 0 FGADHM Cc1cccc([C@H]2CCCN2c2ncc(Cl)c(C)c2-c2nnn[n-]2)n1 ZINC000826297444 609579001 /nfs/dbraw/zinc/57/90/01/609579001.db2.gz HUBJANSIYXKCDR-CQSZACIVSA-N -1 3 355.833 3.268 20 0 FGADHM Cc1cccc([C@H]2CCCN2c2ncc(Cl)c(C)c2-c2nn[n-]n2)n1 ZINC000826297444 609579003 /nfs/dbraw/zinc/57/90/03/609579003.db2.gz HUBJANSIYXKCDR-CQSZACIVSA-N -1 3 355.833 3.268 20 0 FGADHM Cc1c(Cl)cnc(N[C@H](c2ccccc2)[C@H]2CCOC2)c1-c1nnn[n-]1 ZINC000826238485 609584163 /nfs/dbraw/zinc/58/41/63/609584163.db2.gz HMBAMMARWDMUQF-XJKSGUPXSA-N -1 3 370.844 3.413 20 0 FGADHM Cc1c(Cl)cnc(N[C@H](c2ccccc2)[C@H]2CCOC2)c1-c1nn[n-]n1 ZINC000826238485 609584165 /nfs/dbraw/zinc/58/41/65/609584165.db2.gz HMBAMMARWDMUQF-XJKSGUPXSA-N -1 3 370.844 3.413 20 0 FGADHM Cc1c(Cl)cnc(N[C@@H](CO)c2ccc(Cl)cc2)c1-c1nnn[n-]1 ZINC000826238327 609584178 /nfs/dbraw/zinc/58/41/78/609584178.db2.gz CTXMRGUZCBXPGH-LBPRGKRZSA-N -1 3 365.224 3.022 20 0 FGADHM Cc1c(Cl)cnc(N[C@@H](CO)c2ccc(Cl)cc2)c1-c1nn[n-]n1 ZINC000826238327 609584180 /nfs/dbraw/zinc/58/41/80/609584180.db2.gz CTXMRGUZCBXPGH-LBPRGKRZSA-N -1 3 365.224 3.022 20 0 FGADHM Cc1c(Cl)cnc(N2Cc3ccccc3OC[C@@H]2C)c1-c1nnn[n-]1 ZINC000826238275 609586469 /nfs/dbraw/zinc/58/64/69/609586469.db2.gz BUTKGNXEUBOBRV-JTQLQIEISA-N -1 3 356.817 3.011 20 0 FGADHM Cc1c(Cl)cnc(N2Cc3ccccc3OC[C@@H]2C)c1-c1nn[n-]n1 ZINC000826238275 609586471 /nfs/dbraw/zinc/58/64/71/609586471.db2.gz BUTKGNXEUBOBRV-JTQLQIEISA-N -1 3 356.817 3.011 20 0 FGADHM COCC[C@H](Cc1ccco1)Nc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000826154209 609588136 /nfs/dbraw/zinc/58/81/36/609588136.db2.gz KMWSNYRZLIXLFX-OAHLLOKOSA-N -1 3 364.409 3.068 20 0 FGADHM COCC[C@H](Cc1ccco1)Nc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000826154209 609588138 /nfs/dbraw/zinc/58/81/38/609588138.db2.gz KMWSNYRZLIXLFX-OAHLLOKOSA-N -1 3 364.409 3.068 20 0 FGADHM COCC[C@@H](Cc1ccco1)Nc1nc2ccccc2cc1-c1nnn[n-]1 ZINC000826154172 609589969 /nfs/dbraw/zinc/58/99/69/609589969.db2.gz JPXYIDHEYABXFN-AWEZNQCLSA-N -1 3 364.409 3.068 20 0 FGADHM COCC[C@@H](Cc1ccco1)Nc1nc2ccccc2cc1-c1nn[n-]n1 ZINC000826154172 609589971 /nfs/dbraw/zinc/58/99/71/609589971.db2.gz JPXYIDHEYABXFN-AWEZNQCLSA-N -1 3 364.409 3.068 20 0 FGADHM O=C(Nc1ccc(Cl)c(OC(F)F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000826453770 609607836 /nfs/dbraw/zinc/60/78/36/609607836.db2.gz ZAUONTDFJSLPOQ-UHFFFAOYSA-N -1 3 365.727 3.374 20 0 FGADHM O=C(Nc1ccc(Cl)c(OC(F)F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000826453770 609607838 /nfs/dbraw/zinc/60/78/38/609607838.db2.gz ZAUONTDFJSLPOQ-UHFFFAOYSA-N -1 3 365.727 3.374 20 0 FGADHM CCC(=O)c1ccc(C(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)cc1 ZINC000825034343 609612896 /nfs/dbraw/zinc/61/28/96/609612896.db2.gz HTHMKFYOACACAL-UHFFFAOYSA-N -1 3 370.796 3.470 20 0 FGADHM CCC(=O)c1ccc(C(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)cc1 ZINC000825034343 609612898 /nfs/dbraw/zinc/61/28/98/609612898.db2.gz HTHMKFYOACACAL-UHFFFAOYSA-N -1 3 370.796 3.470 20 0 FGADHM O=C(Cn1ccc2ccccc21)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826424553 609613874 /nfs/dbraw/zinc/61/38/74/609613874.db2.gz RJZOCHQNTUZDFA-UHFFFAOYSA-N -1 3 367.796 3.218 20 0 FGADHM O=C(Cn1ccc2ccccc21)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826424553 609613876 /nfs/dbraw/zinc/61/38/76/609613876.db2.gz RJZOCHQNTUZDFA-UHFFFAOYSA-N -1 3 367.796 3.218 20 0 FGADHM O=C(OCc1ccc(Cl)cc1-c1nnn[n-]1)c1ccc(F)c(F)c1 ZINC000826465256 609615376 /nfs/dbraw/zinc/61/53/76/609615376.db2.gz FTZLMPVYJWEEIH-UHFFFAOYSA-N -1 3 350.712 3.155 20 0 FGADHM O=C(OCc1ccc(Cl)cc1-c1nn[n-]n1)c1ccc(F)c(F)c1 ZINC000826465256 609615378 /nfs/dbraw/zinc/61/53/78/609615378.db2.gz FTZLMPVYJWEEIH-UHFFFAOYSA-N -1 3 350.712 3.155 20 0 FGADHM CCC[C@@H]1C[C@@H](C(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)CCO1 ZINC000825253908 609615665 /nfs/dbraw/zinc/61/56/65/609615665.db2.gz PMAVDELGFXYXLH-SMDDNHRTSA-N -1 3 364.833 3.159 20 0 FGADHM CCC[C@@H]1C[C@@H](C(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)CCO1 ZINC000825253908 609615666 /nfs/dbraw/zinc/61/56/66/609615666.db2.gz PMAVDELGFXYXLH-SMDDNHRTSA-N -1 3 364.833 3.159 20 0 FGADHM O=C(OCc1ccc(Cl)cc1-c1nnn[n-]1)c1c(F)cccc1F ZINC000826465600 609616649 /nfs/dbraw/zinc/61/66/49/609616649.db2.gz UJPYSIHPEWMCSV-UHFFFAOYSA-N -1 3 350.712 3.155 20 0 FGADHM O=C(OCc1ccc(Cl)cc1-c1nn[n-]n1)c1c(F)cccc1F ZINC000826465600 609616650 /nfs/dbraw/zinc/61/66/50/609616650.db2.gz UJPYSIHPEWMCSV-UHFFFAOYSA-N -1 3 350.712 3.155 20 0 FGADHM CCO[C@@H](C(=O)OCc1ccc(Cl)cc1-c1nnn[n-]1)c1ccccc1 ZINC000825576457 609617332 /nfs/dbraw/zinc/61/73/32/609617332.db2.gz HSZLLYCKNRXTIX-MRXNPFEDSA-N -1 3 372.812 3.341 20 0 FGADHM CCO[C@@H](C(=O)OCc1ccc(Cl)cc1-c1nn[n-]n1)c1ccccc1 ZINC000825576457 609617334 /nfs/dbraw/zinc/61/73/34/609617334.db2.gz HSZLLYCKNRXTIX-MRXNPFEDSA-N -1 3 372.812 3.341 20 0 FGADHM Cc1ncc(C(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)c(C(C)C)n1 ZINC000826329478 609618615 /nfs/dbraw/zinc/61/86/15/609618615.db2.gz FOMUDVRFKLAHEM-UHFFFAOYSA-N -1 3 372.816 3.099 20 0 FGADHM Cc1ncc(C(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)c(C(C)C)n1 ZINC000826329478 609618616 /nfs/dbraw/zinc/61/86/16/609618616.db2.gz FOMUDVRFKLAHEM-UHFFFAOYSA-N -1 3 372.816 3.099 20 0 FGADHM COc1ccc([C@H](C)C(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)cc1 ZINC000826188207 609618737 /nfs/dbraw/zinc/61/87/37/609618737.db2.gz QKWNLJJDEHSAJQ-NSHDSACASA-N -1 3 372.812 3.376 20 0 FGADHM COc1ccc([C@H](C)C(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)cc1 ZINC000826188207 609618739 /nfs/dbraw/zinc/61/87/39/609618739.db2.gz QKWNLJJDEHSAJQ-NSHDSACASA-N -1 3 372.812 3.376 20 0 FGADHM C[C@H]1CCC[C@@H](OCC(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)C1 ZINC000824926021 609618781 /nfs/dbraw/zinc/61/87/81/609618781.db2.gz IJLAVDGRZYYXPH-SMDDNHRTSA-N -1 3 364.833 3.159 20 0 FGADHM C[C@H]1CCC[C@@H](OCC(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC000824926021 609618783 /nfs/dbraw/zinc/61/87/83/609618783.db2.gz IJLAVDGRZYYXPH-SMDDNHRTSA-N -1 3 364.833 3.159 20 0 FGADHM O=C(COC(=O)c1ccc([O-])cc1)Nc1ccc(Br)cc1F ZINC000003507965 695540562 /nfs/dbraw/zinc/54/05/62/695540562.db2.gz YGBKDDDKBIKRCO-UHFFFAOYSA-N -1 3 368.158 3.089 20 0 FGADHM O=S(=O)([N-]N=c1ccc(C(F)(F)F)c[nH]1)c1ccc(F)c(Cl)c1 ZINC000016151543 695625514 /nfs/dbraw/zinc/62/55/14/695625514.db2.gz XZDBCKVVWRYBIC-UHFFFAOYSA-N -1 3 369.727 3.198 20 0 FGADHM O=C(COC(=O)c1cc2ccsc2[n-]1)Nc1cccc2nsnc21 ZINC000023346367 695661298 /nfs/dbraw/zinc/66/12/98/695661298.db2.gz PMFPTFIQZYCKNW-UHFFFAOYSA-N -1 3 358.404 3.030 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]c2cccc(CN3CCCC3=O)c2)cc1C ZINC000030531163 695724430 /nfs/dbraw/zinc/72/44/30/695724430.db2.gz NPURHZHAXHZERC-UHFFFAOYSA-N -1 3 358.463 3.227 20 0 FGADHM O=C(NCCC1=CCCCC1)N[N-]C(=O)c1ccccc1Br ZINC000042837708 695785638 /nfs/dbraw/zinc/78/56/38/695785638.db2.gz HQMPKRKBRRNNSU-UHFFFAOYSA-N -1 3 366.259 3.284 20 0 FGADHM COc1cccc2sc(NC(=O)c3c[n-]c4ccccc4c3=O)nc21 ZINC000046017179 695830034 /nfs/dbraw/zinc/83/00/34/695830034.db2.gz FAPTUKVNRJMQCN-UHFFFAOYSA-N -1 3 351.387 3.399 20 0 FGADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)OCCCO3)c(C)c1 ZINC000047454313 695860034 /nfs/dbraw/zinc/86/00/34/695860034.db2.gz WCICQCVZMDZHFU-UHFFFAOYSA-N -1 3 363.435 3.274 20 0 FGADHM O=C(COC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1)[N-]C(=O)c1cccs1 ZINC000050017639 695898528 /nfs/dbraw/zinc/89/85/28/695898528.db2.gz RPZIZTYKXZWZMH-STQMWFEESA-N -1 3 363.822 3.005 20 0 FGADHM Cc1sc2[n-]c([C@@H](C)OC(=O)[C@H](C)OCC(C)C)nc(=O)c2c1C ZINC000051493197 695912323 /nfs/dbraw/zinc/91/23/23/695912323.db2.gz RNZXZCOUBVBBHN-MNOVXSKESA-N -1 3 352.456 3.267 20 0 FGADHM C[C@H](NC(=O)N[N-]C(=O)c1ccccc1Br)C1CCCCC1 ZINC000074504416 700194715 /nfs/dbraw/zinc/19/47/15/700194715.db2.gz BYMJCCVPQXGZTP-NSHDSACASA-N -1 3 368.275 3.362 20 0 FGADHM C[C@@H]1CC[C@H](C)CN1C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000075291629 700207219 /nfs/dbraw/zinc/20/72/19/700207219.db2.gz JBYHMUVHIRHCJX-QWHCGFSZSA-N -1 3 370.490 3.163 20 0 FGADHM C[C@H]1CC[C@H](C)N(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)C1 ZINC000075291627 700207256 /nfs/dbraw/zinc/20/72/56/700207256.db2.gz JBYHMUVHIRHCJX-STQMWFEESA-N -1 3 370.490 3.163 20 0 FGADHM CCOc1c(Cl)cc(C(=O)Nc2n[n-]c(-c3ccco3)n2)cc1OC ZINC000078868596 700289682 /nfs/dbraw/zinc/28/96/82/700289682.db2.gz PXVHNUWSZXUQQZ-UHFFFAOYSA-N -1 3 362.773 3.378 20 0 FGADHM CN(Cc1ccc(Cl)nc1)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000080909664 700326837 /nfs/dbraw/zinc/32/68/37/700326837.db2.gz XAGQEARKHZPXIB-UHFFFAOYSA-N -1 3 354.797 3.350 20 0 FGADHM CCc1cccc(C(=O)Nc2cccc(C[S@@](=O)CCOC)c2)c1[O-] ZINC000081784360 700340028 /nfs/dbraw/zinc/34/00/28/700340028.db2.gz UWSNIODKIZWAGO-RUZDIDTESA-N -1 3 361.463 3.102 20 0 FGADHM C[C@H](OC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)c1cc(F)ccc1F ZINC000101707195 700470106 /nfs/dbraw/zinc/47/01/06/700470106.db2.gz SALSYQZOEHDITI-VIFPVBQESA-N -1 3 373.352 3.393 20 0 FGADHM CCc1ccc2nc(NC(=O)c3nnc4ccccc4c3[O-])sc2c1 ZINC000111547000 700549031 /nfs/dbraw/zinc/54/90/31/700549031.db2.gz DFMXHNCLFOXSDT-UHFFFAOYSA-N -1 3 350.403 3.348 20 0 FGADHM O=C(c1cc2c(cc1[O-])OCO2)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000117426570 700603634 /nfs/dbraw/zinc/60/36/34/700603634.db2.gz VRUAHAABVSOXHT-UHFFFAOYSA-N -1 3 371.233 3.078 20 0 FGADHM CN(C)[C@H](CNC(=O)c1ccc2[n-]c(=S)oc2c1)Cc1ccccc1 ZINC000118756386 700614240 /nfs/dbraw/zinc/61/42/40/700614240.db2.gz CZKXHSRYWXARDS-HNNXBMFYSA-N -1 3 355.463 3.019 20 0 FGADHM O=C(COc1ccc(Cl)c(Cl)c1)Nc1n[n-]c(-c2ccco2)n1 ZINC000119501179 700631027 /nfs/dbraw/zinc/63/10/27/700631027.db2.gz WSPPXPNYLYNDGB-UHFFFAOYSA-N -1 3 353.165 3.389 20 0 FGADHM Cc1ccc(-n2cc(C(=O)Nc3ccc(Br)cc3[O-])nn2)cc1 ZINC000121499339 700673728 /nfs/dbraw/zinc/67/37/28/700673728.db2.gz YNTOEQOKVJEIPS-UHFFFAOYSA-N -1 3 373.210 3.296 20 0 FGADHM C[C@H](/N=C\c1cc(Cl)ccc1[O-])c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000126954593 700755264 /nfs/dbraw/zinc/75/52/64/700755264.db2.gz RZNJIZPXTMLYDC-XHEYCZLTSA-N -1 3 366.870 3.476 20 0 FGADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000135556431 704849435 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CCCOc1cccc(CNc2ccc(OC)c([N-]S(C)(=O)=O)c2)c1 ZINC000158921259 705204391 /nfs/dbraw/zinc/20/43/91/705204391.db2.gz RJGXZEKBLRTTAN-UHFFFAOYSA-N -1 3 364.467 3.468 20 0 FGADHM COc1sc(/C=C2/C(=O)[N-]C(=O)c3ccccc32)cc1Br ZINC000160221395 705248151 /nfs/dbraw/zinc/24/81/51/705248151.db2.gz BGYDJWHBGYTHEI-IZZDOVSWSA-N -1 3 364.220 3.330 20 0 FGADHM C[C@@H](C[C@@H](O)c1ccccc1)[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000163824366 705320314 /nfs/dbraw/zinc/32/03/14/705320314.db2.gz UKGKHRAOPSHMSA-SMDDNHRTSA-N -1 3 357.834 3.270 20 0 FGADHM Cc1cnc([C@H]([N-]S(=O)(=O)c2cnc(Cl)c(C)c2)C2CC2)s1 ZINC000173490210 705461820 /nfs/dbraw/zinc/46/18/20/705461820.db2.gz QIZINQXBOCWVDY-GFCCVEGCSA-N -1 3 357.888 3.238 20 0 FGADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H]1c2cccc(F)c2CC[C@H]1C ZINC000175851055 705561439 /nfs/dbraw/zinc/56/14/39/705561439.db2.gz FAEHMSGIRAXZCH-OTYXRUKQSA-N -1 3 371.865 3.123 20 0 FGADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H](C)c1c(F)cccc1Cl ZINC000177580791 705629461 /nfs/dbraw/zinc/62/94/61/705629461.db2.gz GMFHISQFIZIMFH-SSDOTTSWSA-N -1 3 366.245 3.214 20 0 FGADHM CSc1cccc(NC(=O)[C@H](C)O[N-]C(=O)Cc2ccc(C)cc2)c1 ZINC000178159383 705656841 /nfs/dbraw/zinc/65/68/41/705656841.db2.gz KBEBQUJBCWEMEP-AWEZNQCLSA-N -1 3 358.463 3.334 20 0 FGADHM O=C(NCc1ccc(Cl)nc1)NCc1ccc([O-])c(Br)c1 ZINC000178532717 705667673 /nfs/dbraw/zinc/66/76/73/705667673.db2.gz JWXBOXKTCLORAB-UHFFFAOYSA-N -1 3 370.634 3.203 20 0 FGADHM Cc1ncc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)c(C)n1 ZINC000179878883 705719175 /nfs/dbraw/zinc/71/91/75/705719175.db2.gz OSTHGQSSEATIKO-LLVKDONJSA-N -1 3 363.204 3.361 20 0 FGADHM O=C(Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)[C@@]1(O)CCSC1 ZINC000179937854 705721662 /nfs/dbraw/zinc/72/16/62/705721662.db2.gz FMPITCFKTDXVDD-GOSISDBHSA-N -1 3 372.471 3.475 20 0 FGADHM COc1ccc(CN(CCO)Cc2cccc(Cl)c2[O-])c(OC)c1 ZINC000180227711 705732778 /nfs/dbraw/zinc/73/27/78/705732778.db2.gz AXJIMRGGOOSOGA-UHFFFAOYSA-N -1 3 351.830 3.057 20 0 FGADHM O=C(C[C@@H](O)c1cccc(F)c1)Nc1cc(Br)ccc1[O-] ZINC000180241214 705733334 /nfs/dbraw/zinc/73/33/34/705733334.db2.gz DMSRFMFUUGVNAP-CQSZACIVSA-N -1 3 354.175 3.356 20 0 FGADHM CCCc1cnc([N-]C(=O)c2sccc2S(=O)(=O)C(F)F)s1 ZINC000180245762 705733587 /nfs/dbraw/zinc/73/35/87/705733587.db2.gz FAZRWYNOSGLFNQ-UHFFFAOYSA-N -1 3 366.436 3.406 20 0 FGADHM C[S@@](=O)Cc1cc(NC(=O)/C(C#N)=C\c2ccc([O-])cc2)ccc1Cl ZINC000185667302 712699339 /nfs/dbraw/zinc/69/93/39/712699339.db2.gz ITGZCXFYIMZKAR-FJJUSPRBSA-N -1 3 374.849 3.470 20 0 FGADHM CCc1ccccc1S(=O)(=O)[N-]c1ccc(N2CCOC[C@@H]2C)cc1 ZINC000187464163 712743080 /nfs/dbraw/zinc/74/30/80/712743080.db2.gz IWHFXNNKPHRTHL-HNNXBMFYSA-N -1 3 360.479 3.275 20 0 FGADHM O=C(NCCCCCc1ccc(F)cc1)NN=c1ccc(Cl)n[n-]1 ZINC000188343535 712768094 /nfs/dbraw/zinc/76/80/94/712768094.db2.gz WOEWRIXMHGHBAT-UHFFFAOYSA-N -1 3 351.813 3.308 20 0 FGADHM Cc1ccc(CC(=O)[N-]OCc2ccc(F)cc2Br)cc1O ZINC000188911106 712780449 /nfs/dbraw/zinc/78/04/49/712780449.db2.gz MVUHSLDJINCTLT-UHFFFAOYSA-N -1 3 368.202 3.393 20 0 FGADHM O=S(=O)([N-]c1ccc(-c2cc[nH]n2)cc1)C1=Cc2ccccc2OC1 ZINC000190253818 712809736 /nfs/dbraw/zinc/80/97/36/712809736.db2.gz KZMSXEPESLMLDL-UHFFFAOYSA-N -1 3 353.403 3.252 20 0 FGADHM CN(Cc1c([O-])ccc(Cl)c1F)C[C@@H](O)COCc1ccccc1 ZINC000191271741 712833257 /nfs/dbraw/zinc/83/32/57/712833257.db2.gz BLIYAQPJLNCNGD-CQSZACIVSA-N -1 3 353.821 3.194 20 0 FGADHM COc1ccccc1N1CC[C@@H](NCc2c([O-])ccc(Cl)c2F)C1=O ZINC000191314631 712834183 /nfs/dbraw/zinc/83/41/83/712834183.db2.gz BMALZPGZRXAACI-CYBMUJFWSA-N -1 3 364.804 3.088 20 0 FGADHM Cc1cccnc1C(=O)[N-]NC(=O)Nc1cc(Cl)c(F)c(Cl)c1 ZINC000192422667 712860958 /nfs/dbraw/zinc/86/09/58/712860958.db2.gz NWUYOBYWAVNGBN-UHFFFAOYSA-N -1 3 357.172 3.302 20 0 FGADHM O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[N-]C1=NCCS1 ZINC000192562267 712866701 /nfs/dbraw/zinc/86/67/01/712866701.db2.gz RODKBPTWRZSVQJ-UHFFFAOYSA-N -1 3 372.290 3.322 20 0 FGADHM CCN(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1Cl ZINC000192623985 712868452 /nfs/dbraw/zinc/86/84/52/712868452.db2.gz XGJFQVFGHKFPIE-UHFFFAOYSA-N -1 3 370.833 3.372 20 0 FGADHM CCOc1cc(/C=C/C(=O)c2ccnn2C)cc(Br)c1[O-] ZINC000193052108 712881333 /nfs/dbraw/zinc/88/13/33/712881333.db2.gz OCZBEVJMKSPIAQ-SNAWJCMRSA-N -1 3 351.200 3.183 20 0 FGADHM C[C@H]1CN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)CC(C)(C)O1 ZINC000194500663 713523783 /nfs/dbraw/zinc/52/37/83/713523783.db2.gz HVCAIFOZFHERCR-NSHDSACASA-N -1 3 359.451 3.244 20 0 FGADHM CS(=O)(=O)c1cccc([C@@H]([N-]C(=O)C(F)F)c2ccc(Cl)cc2)c1 ZINC000194697561 713531092 /nfs/dbraw/zinc/53/10/92/713531092.db2.gz RUHBBKXYXGCGOO-AWEZNQCLSA-N -1 3 373.808 3.214 20 0 FGADHM COc1cccc(C(=O)Nc2cc(Cl)ccc2C(=O)NC(C)C)c1[O-] ZINC000195645797 713559821 /nfs/dbraw/zinc/55/98/21/713559821.db2.gz BZGFCCQVNGXTJY-UHFFFAOYSA-N -1 3 362.813 3.445 20 0 FGADHM CCS[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000225361215 713572411 /nfs/dbraw/zinc/57/24/11/713572411.db2.gz YDDGPRSEEKWICW-WDEREUQCSA-N -1 3 355.312 3.341 20 0 FGADHM C[C@@H]1CCN(Cc2cc(Br)cc3c2OCC3)[C@@H](C(=O)[O-])C1 ZINC000229306319 713575516 /nfs/dbraw/zinc/57/55/16/713575516.db2.gz RWNDTJBFVVWIDZ-QMTHXVAHSA-N -1 3 354.244 3.069 20 0 FGADHM Cc1nn(-c2ccccc2)c(Cl)c1C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000248043146 713645553 /nfs/dbraw/zinc/64/55/53/713645553.db2.gz UIWXSCICGCACIE-UHFFFAOYSA-N -1 3 370.722 3.223 20 0 FGADHM Cc1nn(-c2ccccc2)c(Cl)c1C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000248043146 713645557 /nfs/dbraw/zinc/64/55/57/713645557.db2.gz UIWXSCICGCACIE-UHFFFAOYSA-N -1 3 370.722 3.223 20 0 FGADHM O=C(c1cc([O-])c2ccccc2c1)N1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000281192629 713759878 /nfs/dbraw/zinc/75/98/78/713759878.db2.gz LOOUVLQKFCOJPV-MLGOLLRUSA-N -1 3 353.340 3.321 20 0 FGADHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@H](C)c2cc(C)cc(C)c2)c1 ZINC000303300578 713785681 /nfs/dbraw/zinc/78/56/81/713785681.db2.gz MLWAYOVSRLWAKI-ZDUSSCGKSA-N -1 3 365.426 3.269 20 0 FGADHM Cc1cnc(Br)c([N-]S(=O)(=O)c2ccc(C#N)cc2C)c1 ZINC000314774736 713805955 /nfs/dbraw/zinc/80/59/55/713805955.db2.gz UHSLOYQBNCUUEL-UHFFFAOYSA-N -1 3 366.240 3.133 20 0 FGADHM COC(=O)CCCc1csc(NC(=O)c2cc([O-])ccc2Cl)n1 ZINC000323615017 713814833 /nfs/dbraw/zinc/81/48/33/713814833.db2.gz SNNKZNPIRSKMCW-UHFFFAOYSA-N -1 3 354.815 3.250 20 0 FGADHM COc1cc(-n2c([O-])c(CC(F)(F)F)[nH]c2=O)ccc1C(F)(F)F ZINC000348583289 713847712 /nfs/dbraw/zinc/84/77/12/713847712.db2.gz SFLKCENBVSZGSU-MRVPVSSYSA-N -1 3 356.222 3.091 20 0 FGADHM C/C=C/c1ccc(NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000522026899 714164609 /nfs/dbraw/zinc/16/46/09/714164609.db2.gz KVYSCFUGPHWBLQ-NSCUHMNNSA-N -1 3 370.883 3.352 20 0 FGADHM O=C(NCc1ccsc1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000522148969 714172646 /nfs/dbraw/zinc/17/26/46/714172646.db2.gz MTMCWSNYKRFSCC-UHFFFAOYSA-N -1 3 363.236 3.282 20 0 FGADHM O=C(COc1ccc(F)cc1Br)NCc1ccc([O-])c(F)c1 ZINC000523425513 714234055 /nfs/dbraw/zinc/23/40/55/714234055.db2.gz WANGVNJMVINLRC-UHFFFAOYSA-N -1 3 372.165 3.128 20 0 FGADHM Cc1cnc(CNC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)s1 ZINC000524750208 714299743 /nfs/dbraw/zinc/29/97/43/714299743.db2.gz QNNCOYHHVGTSDS-UHFFFAOYSA-N -1 3 355.423 3.244 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)(C)C)cc2)cc1C(N)=O ZINC000525535526 714358998 /nfs/dbraw/zinc/35/89/98/714358998.db2.gz BKDSRPQDGWRNRE-UHFFFAOYSA-N -1 3 362.451 3.072 20 0 FGADHM Cc1cccc([N-]S(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)c1Cl ZINC000525823189 714380405 /nfs/dbraw/zinc/38/04/05/714380405.db2.gz ADNHHQGEMGFQMF-UHFFFAOYSA-N -1 3 368.817 3.473 20 0 FGADHM CS(=O)(=O)Cc1ccc(NC(=O)c2cc([O-])c3ccccc3c2)cc1 ZINC000525921500 714388326 /nfs/dbraw/zinc/38/83/26/714388326.db2.gz WXZRQTBIURONSS-UHFFFAOYSA-N -1 3 355.415 3.342 20 0 FGADHM CSc1ccc([O-])c(C(=O)N2CCN(CC(F)(F)F)C[C@H](C)C2)c1 ZINC000615992869 714561285 /nfs/dbraw/zinc/56/12/85/714561285.db2.gz KLMLMJGQBBBZGA-NSHDSACASA-N -1 3 362.417 3.070 20 0 FGADHM O=C(c1c[n-]c2ccc(Br)cc2c1=O)N1C[C@@H]2CCCC[C@@H]21 ZINC000616726245 714596261 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O=C(c1cc([O-])cc(C(F)(F)F)c1)N1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000622048691 715049910 /nfs/dbraw/zinc/04/99/10/715049910.db2.gz SJADTMMWJLKXGX-SKDRFNHKSA-N -1 3 371.277 3.044 20 0 FGADHM Cn1ccnc1[C@H]1N(C(=O)c2cc([O-])cc(C(F)(F)F)c2)CC1(C)C ZINC000622075855 715051904 /nfs/dbraw/zinc/05/19/04/715051904.db2.gz NAZVIPPSRQPIGJ-CYBMUJFWSA-N -1 3 353.344 3.368 20 0 FGADHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N1CCO[C@H](CC(F)(F)F)C1 ZINC000622182957 715059154 /nfs/dbraw/zinc/05/91/54/715059154.db2.gz ASFJNKSLELIZLX-LLVKDONJSA-N -1 3 357.250 3.204 20 0 FGADHM O=C(NCC1(O)CCC(F)(F)CC1)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622180761 715059393 /nfs/dbraw/zinc/05/93/93/715059393.db2.gz WODGTZLBPJDFRP-UHFFFAOYSA-N -1 3 353.287 3.081 20 0 FGADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)c2cccc(-c3cscn3)c2)n1 ZINC000622738846 715087367 /nfs/dbraw/zinc/08/73/67/715087367.db2.gz JQFILLJTWLIBIM-UHFFFAOYSA-N -1 3 354.435 3.279 20 0 FGADHM COc1ccccc1OCC(=O)N=c1cc(-c2cccc(Cl)c2)[n-][nH]1 ZINC000622892373 715103762 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C[C@@H](Cc1c(Cl)cccc1Cl)[N-]S(=O)(=O)c1c[nH]c(=O)s1 ZINC000632151562 716730670 /nfs/dbraw/zinc/73/06/70/716730670.db2.gz LFDSRIJDFNZUPP-ZETCQYMHSA-N -1 3 367.279 3.065 20 0 FGADHM C[C@@H]1[C@H]([N-]S(=O)(=O)c2ccc(C(F)F)o2)CCN1Cc1ccccc1 ZINC000632340220 716763004 /nfs/dbraw/zinc/76/30/04/716763004.db2.gz UORDCEZWUIOTLZ-TZMCWYRMSA-N -1 3 370.421 3.159 20 0 FGADHM CC(C)N1CCc2nc(NC(=O)Cc3ccc([O-])c(Cl)c3)sc2C1 ZINC000632407542 716770436 /nfs/dbraw/zinc/77/04/36/716770436.db2.gz WMILQOFTOMUFKV-UHFFFAOYSA-N -1 3 365.886 3.450 20 0 FGADHM CC(=O)CCCCC[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000632415902 716772049 /nfs/dbraw/zinc/77/20/49/716772049.db2.gz PFJVPDUQOPVNSX-UHFFFAOYSA-N -1 3 355.353 3.272 20 0 FGADHM CCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)CCOCC2CCC2)c1 ZINC000634787200 717115233 /nfs/dbraw/zinc/11/52/33/717115233.db2.gz OEGRNUQKUAKXDU-UHFFFAOYSA-N -1 3 374.890 3.247 20 0 FGADHM COC1(CS(=O)(=O)[N-]c2c(F)cc(Br)cc2F)CCC1 ZINC000634789691 717115444 /nfs/dbraw/zinc/11/54/44/717115444.db2.gz 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Cc1nc2c(c(=O)[n-]1)CN(C(=O)c1ccc(CCC(F)(F)F)cc1)C2 ZINC000636284180 717257151 /nfs/dbraw/zinc/25/71/51/717257151.db2.gz NYUAMBXJGAWFPH-UHFFFAOYSA-N -1 3 351.328 3.142 20 0 FGADHM O=C1CCc2cc(F)c([N-]S(=O)(=O)c3cccc(C(F)F)c3)cc2N1 ZINC000780376394 724459572 /nfs/dbraw/zinc/45/95/72/724459572.db2.gz HVWGOMDLBYWOFZ-UHFFFAOYSA-N -1 3 370.352 3.449 20 0 FGADHM CC(C)C[C@H]1CCN(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)C1 ZINC000640294837 717715415 /nfs/dbraw/zinc/71/54/15/717715415.db2.gz KYNJQRDTQBTMNC-SNVBAGLBSA-N -1 3 352.788 3.421 20 0 FGADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)N1CCC[C@H]2CCC[C@@H]21 ZINC000640295150 717715513 /nfs/dbraw/zinc/71/55/13/717715513.db2.gz PVMIQOLLRBXNQQ-KOLCDFICSA-N -1 3 350.772 3.317 20 0 FGADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)NC1CCC2(CC2)CC1 ZINC000640302567 717718257 /nfs/dbraw/zinc/71/82/57/717718257.db2.gz SDCLPBYLCYGYFN-UHFFFAOYSA-N -1 3 350.772 3.365 20 0 FGADHM Cn1cc(Br)c(=NC(=O)N2CCCC3(CCCC3)CC2)[n-]1 ZINC000640316230 717721996 /nfs/dbraw/zinc/72/19/96/717721996.db2.gz 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CC(=O)N(c1ccc(NC(=O)c2cc(C(F)(F)F)n[n-]2)cc1)[C@H]1C[C@@H]1C ZINC000573831410 505631178 /nfs/dbraw/zinc/63/11/78/505631178.db2.gz GHLPLWGAQWDERG-XPTSAGLGSA-N -1 3 366.343 3.442 20 0 FGADHM CC(=O)N(c1ccc(NC(=O)c2cc(C(F)(F)F)[n-]n2)cc1)[C@H]1C[C@@H]1C ZINC000573831410 505631183 /nfs/dbraw/zinc/63/11/83/505631183.db2.gz GHLPLWGAQWDERG-XPTSAGLGSA-N -1 3 366.343 3.442 20 0 FGADHM Cc1c2ccccc2nc(NCCN2CCc3ccccc3C2)c1C(=O)[O-] ZINC000571093628 505651551 /nfs/dbraw/zinc/65/15/51/505651551.db2.gz RWGYENLDDIECTQ-UHFFFAOYSA-N -1 3 361.445 3.134 20 0 FGADHM O=C(CNC(=O)c1ccc([O-])cc1)N(Cc1ccccc1Cl)CC1CC1 ZINC000579993011 505657587 /nfs/dbraw/zinc/65/75/87/505657587.db2.gz GWFJJRKHADTNBO-UHFFFAOYSA-N -1 3 372.852 3.214 20 0 FGADHM C[C@H]1CN(c2cccc(Cl)c2)CCN1C(=O)c1cc(F)cc2[n-]nnc21 ZINC000568281533 505658873 /nfs/dbraw/zinc/65/88/73/505658873.db2.gz OKJCWJGYSJTFQD-NSHDSACASA-N -1 3 373.819 3.101 20 0 FGADHM C[C@H]1CN(c2cccc(Cl)c2)CCN1C(=O)c1cc(F)cc2nn[n-]c21 ZINC000568281533 505658876 /nfs/dbraw/zinc/65/88/76/505658876.db2.gz OKJCWJGYSJTFQD-NSHDSACASA-N -1 3 373.819 3.101 20 0 FGADHM C[C@H]1CN(c2cccc(Cl)c2)CCN1C(=O)c1cc(F)cc2n[n-]nc21 ZINC000568281533 505658879 /nfs/dbraw/zinc/65/88/79/505658879.db2.gz OKJCWJGYSJTFQD-NSHDSACASA-N -1 3 373.819 3.101 20 0 FGADHM COC(=O)c1cnc([N-]C(=O)c2cnc(-c3ccccn3)s2)c(Cl)c1 ZINC000577126928 505669503 /nfs/dbraw/zinc/66/95/03/505669503.db2.gz QBZALAZPZQGILK-UHFFFAOYSA-N -1 3 374.809 3.292 20 0 FGADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cc(-c4ccccc4)[nH]n3)cc2)n1 ZINC000068239277 493783442 /nfs/dbraw/zinc/78/34/42/493783442.db2.gz AKYCTNIYEFZNAQ-UHFFFAOYSA-N -1 3 371.400 3.388 20 0 FGADHM NC(=O)c1ccc([N-]C(=O)c2cc(-c3cccc(Cl)c3)no2)c(F)c1 ZINC000080917942 493790485 /nfs/dbraw/zinc/79/04/85/493790485.db2.gz HTHAIKINGYOQAI-UHFFFAOYSA-N -1 3 359.744 3.485 20 0 FGADHM COc1ccc2ncc(C(=O)[O-])c(N3CCCC4(CCOCC4)C3)c2c1 ZINC000574042764 505681164 /nfs/dbraw/zinc/68/11/64/505681164.db2.gz CLUYCCUQHWCLSQ-UHFFFAOYSA-N -1 3 356.422 3.339 20 0 FGADHM CCc1ccc([C@H](NC(=O)CCc2c(C)nc(C)[n-]c2=O)C(C)C)cc1 ZINC000057812840 493801426 /nfs/dbraw/zinc/80/14/26/493801426.db2.gz QSUSEXSDYPDUCB-HXUWFJFHSA-N -1 3 355.482 3.395 20 0 FGADHM COc1ccc(CN(C)Cc2cc(=O)oc3c(C)c([O-])ccc23)cc1O ZINC000080962417 493801929 /nfs/dbraw/zinc/80/19/29/493801929.db2.gz ZQKQTUNEGJTRKJ-UHFFFAOYSA-N -1 3 355.390 3.153 20 0 FGADHM Cc1ccc([C@@H](CC(=O)OC(C)C)NC(=O)c2ccc3n[n-]nc3c2)cc1 ZINC000028814133 493803155 /nfs/dbraw/zinc/80/31/55/493803155.db2.gz MUGZEQQVZJLBIB-QGZVFWFLSA-N -1 3 366.421 3.079 20 0 FGADHM O=S(=O)([N-]C[C@@H]1COc2ccccc2O1)c1ccc(Cl)c(Cl)c1 ZINC000028914362 493807081 /nfs/dbraw/zinc/80/70/81/493807081.db2.gz HQHHVYNAEGQYDU-SNVBAGLBSA-N -1 3 374.245 3.112 20 0 FGADHM Cc1c(NC(=O)c2ccc(C)c(C)c2[O-])c(=O)n(-c2ccccc2)n1C ZINC000048369306 493821750 /nfs/dbraw/zinc/82/17/50/493821750.db2.gz DZVAWDPMNWHTPA-UHFFFAOYSA-N -1 3 351.406 3.059 20 0 FGADHM COC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)cc1 ZINC000029337887 493833786 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C[C@H](NC(=O)c1ccc([N-]S(C)(=O)=O)cc1)C(C)(C)c1ccccc1 ZINC000076224461 493847520 /nfs/dbraw/zinc/84/75/20/493847520.db2.gz OOHHUVRMEZKEJQ-AWEZNQCLSA-N -1 3 360.479 3.154 20 0 FGADHM CCCN(CCC)C(=O)c1ccc(NC(=O)c2ccc3n[n-]nc3c2)cc1 ZINC000058476200 493857649 /nfs/dbraw/zinc/85/76/49/493857649.db2.gz JNAPQCSAFCAAPX-UHFFFAOYSA-N -1 3 365.437 3.472 20 0 FGADHM CN(C)[C@H](C[N-]S(=O)(=O)c1ccc(F)c(F)c1)c1ccccc1Cl ZINC000049490181 493874855 /nfs/dbraw/zinc/87/48/55/493874855.db2.gz UJTINRHDZZJLDJ-MRXNPFEDSA-N -1 3 374.840 3.199 20 0 FGADHM CCc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@@H]3CCCO3)cc2)cc1 ZINC000030531931 493895765 /nfs/dbraw/zinc/89/57/65/493895765.db2.gz ULDNPHMWHQELLH-SFHVURJKSA-N -1 3 374.462 3.167 20 0 FGADHM Cc1nc(Cc2ccccc2)sc1C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000030604498 493899768 /nfs/dbraw/zinc/89/97/68/493899768.db2.gz OZNPVTIZBLCIBQ-UHFFFAOYSA-N -1 3 367.356 3.432 20 0 FGADHM Cc1nc(Cc2ccccc2)sc1C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000030604498 493899772 /nfs/dbraw/zinc/89/97/72/493899772.db2.gz OZNPVTIZBLCIBQ-UHFFFAOYSA-N -1 3 367.356 3.432 20 0 FGADHM C[C@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000068973943 493902586 /nfs/dbraw/zinc/90/25/86/493902586.db2.gz FNDZTMIHBWUMNW-NSHDSACASA-N -1 3 373.869 3.317 20 0 FGADHM C[C@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000068973943 493902591 /nfs/dbraw/zinc/90/25/91/493902591.db2.gz FNDZTMIHBWUMNW-NSHDSACASA-N -1 3 373.869 3.317 20 0 FGADHM C[C@H]1C[C@@H]1c1ccc(C[N-]S(=O)(=O)c2cnn(-c3ccccc3)c2)o1 ZINC000069040563 493910881 /nfs/dbraw/zinc/91/08/81/493910881.db2.gz BAXWXNLCROOXOM-GUYCJALGSA-N -1 3 357.435 3.067 20 0 FGADHM O=S(=O)([N-][C@H]1CCN(Cc2ccccc2)C1)c1ccc(Cl)cc1F ZINC000069093107 493920989 /nfs/dbraw/zinc/92/09/89/493920989.db2.gz SPBAFKCWSWPYCE-HNNXBMFYSA-N -1 3 368.861 3.032 20 0 FGADHM Cn1cnc(S(=O)(=O)[N-][C@H](c2ccccc2)c2cccc(Cl)c2)c1 ZINC000069113058 493923270 /nfs/dbraw/zinc/92/32/70/493923270.db2.gz CGTFOOCIFOBNGJ-QGZVFWFLSA-N -1 3 361.854 3.141 20 0 FGADHM COCCCCC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000081715189 493945587 /nfs/dbraw/zinc/94/55/87/493945587.db2.gz HDXBQCMSTLTFPU-UHFFFAOYSA-N -1 3 368.861 3.039 20 0 FGADHM O=C(Nc1n[n-]c(-c2ccccc2F)n1)c1cccc(NC(=O)C2CC2)c1 ZINC000076687015 493949609 /nfs/dbraw/zinc/94/96/09/493949609.db2.gz MDUARWOKRNWFCK-UHFFFAOYSA-N -1 3 365.368 3.212 20 0 FGADHM CC(=O)Nc1cc(C(=O)Nc2n[n-]c(-c3ccccc3F)n2)ccc1C ZINC000076687127 493950130 /nfs/dbraw/zinc/95/01/30/493950130.db2.gz DHBDOCOMEPTHAJ-UHFFFAOYSA-N -1 3 353.357 3.130 20 0 FGADHM O=S(=O)([N-]CCCCOCc1ccccc1)c1cc(F)cc(F)c1 ZINC000051160754 493952271 /nfs/dbraw/zinc/95/22/71/493952271.db2.gz MCHAJGHORLUXAS-UHFFFAOYSA-N -1 3 355.406 3.240 20 0 FGADHM COC(=O)CCc1nnc([N-]C(=O)c2c(Cl)cccc2Cl)s1 ZINC000081785309 493953540 /nfs/dbraw/zinc/95/35/40/493953540.db2.gz NIPPKJNLDICAGP-UHFFFAOYSA-N -1 3 360.222 3.203 20 0 FGADHM COCCOc1ccc(S(=O)(=O)[N-]c2ccc3[nH]c(C)cc3c2)cc1 ZINC000031721825 493957396 /nfs/dbraw/zinc/95/73/96/493957396.db2.gz QNMIWJUAWRMPLH-UHFFFAOYSA-N -1 3 360.435 3.302 20 0 FGADHM CCc1ccc([C@H](C)C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000069381088 493965043 /nfs/dbraw/zinc/96/50/43/493965043.db2.gz NFOUHAZERYQXKI-INIZCTEOSA-N -1 3 366.461 3.043 20 0 FGADHM Cc1ccc([O-])c(C(=O)N2CCN(Cc3c(F)cccc3Cl)CC2)c1 ZINC000069412660 493968902 /nfs/dbraw/zinc/96/89/02/493968902.db2.gz FYGZQYOKDAOFPX-UHFFFAOYSA-N -1 3 362.832 3.451 20 0 FGADHM O=C(N[C@H](c1ccccc1)c1ccncc1)c1cc(=O)c2ccccc2[n-]1 ZINC000061210717 493969252 /nfs/dbraw/zinc/96/92/52/493969252.db2.gz GKQUGPHYETUYGW-OAQYLSRUSA-N -1 3 355.397 3.443 20 0 FGADHM CCc1ccc(C(=O)N2CCN(C(=O)c3cccc(CC)c3[O-])CC2)cc1 ZINC000081937963 493969860 /nfs/dbraw/zinc/96/98/60/493969860.db2.gz GVXHASOALODJTK-UHFFFAOYSA-N -1 3 366.461 3.115 20 0 FGADHM O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)Nc1ncccc1[O-] ZINC000069741730 494005098 /nfs/dbraw/zinc/00/50/98/494005098.db2.gz WHLHWZIPJGPMBE-KRWDZBQOSA-N -1 3 361.401 3.287 20 0 FGADHM CC[C@H]1CCC[C@H](NC(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)C1 ZINC000077135783 494020515 /nfs/dbraw/zinc/02/05/15/494020515.db2.gz HLSRJCZFBZHVLE-RDJZCZTQSA-N -1 3 368.481 3.158 20 0 FGADHM CC(C)C[C@H]1CCCCCN1C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000077137347 494020753 /nfs/dbraw/zinc/02/07/53/494020753.db2.gz WWULEFPHYBCIER-QGZVFWFLSA-N -1 3 352.500 3.489 20 0 FGADHM FC(F)(F)Oc1cccc(Cc2nc(-c3ccc4n[n-]nc4c3)no2)c1 ZINC000577255907 505695133 /nfs/dbraw/zinc/69/51/33/505695133.db2.gz XBURAFKKLARQQE-UHFFFAOYSA-N -1 3 361.283 3.497 20 0 FGADHM CCOC(=O)Cc1csc([N-]C(=O)c2cc(-c3ccccc3)no2)n1 ZINC000033163516 494048206 /nfs/dbraw/zinc/04/82/06/494048206.db2.gz XYNOHWURZQAINL-UHFFFAOYSA-N -1 3 357.391 3.156 20 0 FGADHM CCC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(CNC(C)=O)s1 ZINC000077394568 494075611 /nfs/dbraw/zinc/07/56/11/494075611.db2.gz QYBAXYPZNSZHGS-HIFRSBDPSA-N -1 3 358.529 3.021 20 0 FGADHM O=C(CCOc1ccccc1)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000052972586 494080773 /nfs/dbraw/zinc/08/07/73/494080773.db2.gz ITEDGGFQTXPZDN-UHFFFAOYSA-N -1 3 368.433 3.038 20 0 FGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]CCOCC2CCC2)c1Cl ZINC000568459705 505698952 /nfs/dbraw/zinc/69/89/52/505698952.db2.gz MFXKRSVSVPHMBY-UHFFFAOYSA-N -1 3 352.283 3.397 20 0 FGADHM C[C@H](Cc1ccc(Br)cc1)[N-]S(=O)(=O)c1ccccc1F ZINC000038107411 494111640 /nfs/dbraw/zinc/11/16/40/494111640.db2.gz VRSXFXUMMNPXFZ-LLVKDONJSA-N -1 3 372.259 3.498 20 0 FGADHM C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)c2c[n-]c3ccncc3c2=O)C1 ZINC000571292296 505700420 /nfs/dbraw/zinc/70/04/20/505700420.db2.gz HSRORMUZCAUWBC-SGTLLEGYSA-N -1 3 351.381 3.286 20 0 FGADHM COc1cc(CNC(=O)c2ccc3n[n-]nc3c2)ccc1OC1CCCC1 ZINC000053439008 494131258 /nfs/dbraw/zinc/13/12/58/494131258.db2.gz AMPVHKNJLQHOIE-UHFFFAOYSA-N -1 3 366.421 3.218 20 0 FGADHM CCOc1ccccc1C(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000010293405 494148425 /nfs/dbraw/zinc/14/84/25/494148425.db2.gz HYAUFCAQBDCLCR-UHFFFAOYSA-N -1 3 368.433 3.282 20 0 FGADHM C[C@@H](c1ccccc1)N1CC[C@H]([N-]S(=O)(=O)c2cc(F)cc(F)c2)C1 ZINC000053686409 494158454 /nfs/dbraw/zinc/15/84/54/494158454.db2.gz WDUNKRDVIKSKIU-GUYCJALGSA-N -1 3 366.433 3.079 20 0 FGADHM CCn1cc(NC(=O)c2n[n-]c(-c3ccccc3)c2Br)cn1 ZINC000065107380 494172673 /nfs/dbraw/zinc/17/26/73/494172673.db2.gz FGWKDEBXEYLPGT-UHFFFAOYSA-N -1 3 360.215 3.308 20 0 FGADHM CCn1cc(NC(=O)c2[n-]nc(-c3ccccc3)c2Br)cn1 ZINC000065107380 494172677 /nfs/dbraw/zinc/17/26/77/494172677.db2.gz FGWKDEBXEYLPGT-UHFFFAOYSA-N -1 3 360.215 3.308 20 0 FGADHM COC1CCN(Cc2nc(=O)c3cc(-c4ccccc4)sc3[n-]2)CC1 ZINC000053897711 494174751 /nfs/dbraw/zinc/17/47/51/494174751.db2.gz ULFZZHFBKUWKST-UHFFFAOYSA-N -1 3 355.463 3.262 20 0 FGADHM COc1ccccc1C1(C[N-]S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000011901760 494195946 /nfs/dbraw/zinc/19/59/46/494195946.db2.gz KCLNHJDTGGIADT-UHFFFAOYSA-N -1 3 357.884 3.420 20 0 FGADHM COc1cc(OC)c(OC)cc1CNC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000065617065 494220436 /nfs/dbraw/zinc/22/04/36/494220436.db2.gz BANBRUNJAYIISJ-UHFFFAOYSA-N -1 3 371.433 3.227 20 0 FGADHM CCO[C@@H]1C[C@H](N(C)C(=O)N=c2cc3ccccn3[n-]2)C12CCCCC2 ZINC000580231112 505708605 /nfs/dbraw/zinc/70/86/05/505708605.db2.gz PXXYHXZIJADOCS-DLBZAZTESA-N -1 3 356.470 3.348 20 0 FGADHM Cc1ccc(NC(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)cc1F ZINC000065736674 494230683 /nfs/dbraw/zinc/23/06/83/494230683.db2.gz UGANSLZYVBOLBT-UHFFFAOYSA-N -1 3 366.396 3.159 20 0 FGADHM CN(Cc1ccc2ccccc2c1)C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000065752867 494233756 /nfs/dbraw/zinc/23/37/56/494233756.db2.gz PLDSUULNVSZALG-UHFFFAOYSA-N -1 3 359.385 3.387 20 0 FGADHM CC[C@@H](C)Oc1cccc(NC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)c1 ZINC000065827048 494243316 /nfs/dbraw/zinc/24/33/16/494243316.db2.gz PPZIYGQZDQGXBF-LLVKDONJSA-N -1 3 353.378 3.392 20 0 FGADHM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2F)cc1 ZINC000078235271 494259198 /nfs/dbraw/zinc/25/91/98/494259198.db2.gz LMUDYURVKHVFRL-UHFFFAOYSA-N -1 3 356.806 3.263 20 0 FGADHM CCc1cc2c(CN3CCC(c4nc(C)no4)CC3)cc(=O)oc2cc1[O-] ZINC000054678645 494260386 /nfs/dbraw/zinc/26/03/86/494260386.db2.gz HOWBXWMQFZXYNQ-UHFFFAOYSA-N -1 3 369.421 3.132 20 0 FGADHM C[C@H](CC(=O)Nc1ccccc1[N-]S(C)(=O)=O)Cc1cccc(F)c1 ZINC000072859813 494268675 /nfs/dbraw/zinc/26/86/75/494268675.db2.gz XMAXBJQTXRXHGM-ZDUSSCGKSA-N -1 3 364.442 3.405 20 0 FGADHM CCCCCc1nnc([N-]C(=O)c2nnn(-c3ccccc3)c2C)s1 ZINC000054915130 494284481 /nfs/dbraw/zinc/28/44/81/494284481.db2.gz GMKXYIPGJICZSJ-UHFFFAOYSA-N -1 3 356.455 3.412 20 0 FGADHM COc1cccc(C(=O)NCc2c(C)nn(-c3ccccc3)c2C)c1[O-] ZINC000078431063 494295439 /nfs/dbraw/zinc/29/54/39/494295439.db2.gz PBMDHQSUNDRQOS-UHFFFAOYSA-N -1 3 351.406 3.133 20 0 FGADHM Cc1nc(C)c(CC(=O)Nc2ccc3nc(C(C)C)sc3c2)c(=O)[n-]1 ZINC000066347445 494317189 /nfs/dbraw/zinc/31/71/89/494317189.db2.gz YVOBNZRBCPWUFP-UHFFFAOYSA-N -1 3 356.451 3.301 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)c1cc(F)ccc1F)c1ccc2c(c1)OCCO2 ZINC000055296798 494323638 /nfs/dbraw/zinc/32/36/38/494323638.db2.gz CXNGADLWPMMWKK-AWEZNQCLSA-N -1 3 369.389 3.166 20 0 FGADHM COCCc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2)cc1 ZINC000078585377 494324408 /nfs/dbraw/zinc/32/44/08/494324408.db2.gz BUVIYJWPTCAQBU-UHFFFAOYSA-N -1 3 357.378 3.278 20 0 FGADHM COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)c1cccc(C)c1[O-])CC3 ZINC000078679306 494342563 /nfs/dbraw/zinc/34/25/63/494342563.db2.gz YZAQREIOEQPVGE-UHFFFAOYSA-N -1 3 364.401 3.167 20 0 FGADHM CC(C)[C@@H](NC(=O)C[C@@H]1NC(=O)[N-]C1=O)c1ccc(C2CCCCC2)cc1 ZINC000044250279 494344994 /nfs/dbraw/zinc/34/49/94/494344994.db2.gz RQFWTEAWBMAERL-PKOBYXMFSA-N -1 3 371.481 3.146 20 0 FGADHM O=S(=O)([N-][C@H]1C[C@H]1c1ccccc1)c1ccc(F)cc1Br ZINC000044414568 494357708 /nfs/dbraw/zinc/35/77/08/494357708.db2.gz XESKAHFZLGLPAS-JSGCOSHPSA-N -1 3 370.243 3.423 20 0 FGADHM COc1ccccc1[C@H]([N-]S(=O)(=O)c1cccs1)c1ccccn1 ZINC000089777837 494362216 /nfs/dbraw/zinc/36/22/16/494362216.db2.gz GOWWCQQBXGFXLE-KRWDZBQOSA-N -1 3 360.460 3.220 20 0 FGADHM CNC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccccc2Cl)c1 ZINC000055620483 494374298 /nfs/dbraw/zinc/37/42/98/494374298.db2.gz CYDSGJHAEBNTRK-UHFFFAOYSA-N -1 3 359.234 3.154 20 0 FGADHM COC(=O)c1cc(C)nc2nc(SCCc3ccccc3)[n-]c(=O)c12 ZINC000078964625 494384999 /nfs/dbraw/zinc/38/49/99/494384999.db2.gz WVJFRFUTCDAERR-UHFFFAOYSA-N -1 3 355.419 3.160 20 0 FGADHM Cc1ccc2c(c1)CC[C@H]2NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000055661386 494385332 /nfs/dbraw/zinc/38/53/32/494385332.db2.gz KRQMLOYQBRNVNQ-MOPGFXCFSA-N -1 3 364.445 3.109 20 0 FGADHM COc1ccccc1S(=O)(=O)[N-]c1cc(NC(C)=O)ccc1Cl ZINC000055676816 494386718 /nfs/dbraw/zinc/38/67/18/494386718.db2.gz BBHHHHUMJTZDNE-UHFFFAOYSA-N -1 3 354.815 3.108 20 0 FGADHM O=C(NCc1ccccc1)c1ccc(NC(=O)c2ccc3n[n-]nc3c2)cc1 ZINC000055713987 494394674 /nfs/dbraw/zinc/39/46/74/494394674.db2.gz HCQLLZOXMZEANW-UHFFFAOYSA-N -1 3 371.400 3.140 20 0 FGADHM O=C(Nc1cnc2ccccc2c1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000045077679 494396181 /nfs/dbraw/zinc/39/61/81/494396181.db2.gz PWFBUEGRCYZWDH-SFHVURJKSA-N -1 3 361.401 3.184 20 0 FGADHM CCOc1nc2cc(C(=O)N3CC[C@@]4(C3)OCc3ccccc34)ccc2[n-]1 ZINC000580282644 505721723 /nfs/dbraw/zinc/72/17/23/505721723.db2.gz AXGUJAADLSMMKR-NRFANRHFSA-N -1 3 363.417 3.233 20 0 FGADHM CCOc1nc2ccc(C(=O)N3CC[C@@]4(C3)OCc3ccccc34)cc2[n-]1 ZINC000580282644 505721727 /nfs/dbraw/zinc/72/17/27/505721727.db2.gz AXGUJAADLSMMKR-NRFANRHFSA-N -1 3 363.417 3.233 20 0 FGADHM O=S(=O)([N-]C[C@H]1CCCOC1)c1ccc(Cl)cc1C(F)(F)F ZINC000056130212 494459256 /nfs/dbraw/zinc/45/92/56/494459256.db2.gz XXEZNXWPQUVQCP-SECBINFHSA-N -1 3 357.781 3.064 20 0 FGADHM Cc1ccc(NC(=O)C2CC2)cc1NCc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000090371378 494460221 /nfs/dbraw/zinc/46/02/21/494460221.db2.gz QYCHGDBZFIKWIC-UHFFFAOYSA-N -1 3 366.343 3.058 20 0 FGADHM O=C(Cc1ccccc1)N1CCC[C@H](C(=O)Nc2cc(Cl)ccc2[O-])C1 ZINC000067145625 494483886 /nfs/dbraw/zinc/48/38/86/494483886.db2.gz MMCUUIZWVAJOMO-HNNXBMFYSA-N -1 3 372.852 3.465 20 0 FGADHM Cc1cccn2c(=O)c(C(=O)Nc3cc(C(C)(C)C)ccc3[O-])cnc12 ZINC000091076204 494524185 /nfs/dbraw/zinc/52/41/85/494524185.db2.gz SGUQHVWQGSAIBI-UHFFFAOYSA-N -1 3 351.406 3.258 20 0 FGADHM COc1cccc(C(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)c1[O-] ZINC000091155282 494541592 /nfs/dbraw/zinc/54/15/92/494541592.db2.gz YMJNVNRQHGJUGP-PBHICJAKSA-N -1 3 365.788 3.453 20 0 FGADHM CCOc1ccc([C@@H](C)NC(=O)c2ccc3n[n-]nc3c2)cc1OCC ZINC000046624439 494543484 /nfs/dbraw/zinc/54/34/84/494543484.db2.gz YVLAWFAGTNNDKR-GFCCVEGCSA-N -1 3 354.410 3.246 20 0 FGADHM CC(C)(CC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)c1ccccc1 ZINC000067573829 494571709 /nfs/dbraw/zinc/57/17/09/494571709.db2.gz XABJJPARETWSSH-UHFFFAOYSA-N -1 3 366.461 3.045 20 0 FGADHM CC(C)C(=O)NCCN(C)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000092263680 494578866 /nfs/dbraw/zinc/57/88/66/494578866.db2.gz PVCHHWNNZCCRBL-UHFFFAOYSA-N -1 3 368.477 3.022 20 0 FGADHM Cc1nc(-c2ccccc2)ccc1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000121107572 494598579 /nfs/dbraw/zinc/59/85/79/494598579.db2.gz LHCGFGYCQBCKEG-UHFFFAOYSA-N -1 3 356.389 3.489 20 0 FGADHM Cc1nc(-c2ccccc2)ccc1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000121107572 494598584 /nfs/dbraw/zinc/59/85/84/494598584.db2.gz LHCGFGYCQBCKEG-UHFFFAOYSA-N -1 3 356.389 3.489 20 0 FGADHM C[C@H]1CCC[C@H](CCNC(=O)N(C)Cc2nc3ccsc3c(=O)[n-]2)C1 ZINC000115705075 494601124 /nfs/dbraw/zinc/60/11/24/494601124.db2.gz VHELEOWBLZPSEP-QWHCGFSZSA-N -1 3 362.499 3.342 20 0 FGADHM COc1ccc(-c2nc([N-]C(=O)c3cnc(C(C)C)s3)n[nH]2)c(OC)c1 ZINC000131410541 494610492 /nfs/dbraw/zinc/61/04/92/494610492.db2.gz MFFCIUWNHGWRGC-UHFFFAOYSA-N -1 3 373.438 3.321 20 0 FGADHM O=S(=O)(CCOCC(F)(F)F)[N-]c1cccnc1-c1ccccc1 ZINC000568595185 505731306 /nfs/dbraw/zinc/73/13/06/505731306.db2.gz UERRGPGARWSHHB-UHFFFAOYSA-N -1 3 360.357 3.069 20 0 FGADHM CCCC1CCC([N-]S(=O)(=O)c2ccc(CNC(C)=O)s2)CC1 ZINC000057009712 494617049 /nfs/dbraw/zinc/61/70/49/494617049.db2.gz BPULOCBYEAUSIS-UHFFFAOYSA-N -1 3 358.529 3.021 20 0 FGADHM [O-]C(=NO[C@H]1CCCCO1)Nc1cc(F)c(Br)c(F)c1 ZINC000121177179 494633507 /nfs/dbraw/zinc/63/35/07/494633507.db2.gz BIYIFAKPPYMDJQ-JTQLQIEISA-N -1 3 351.147 3.307 20 0 FGADHM O=C([N-]O[C@H]1CCCCO1)Nc1cc(F)c(Br)c(F)c1 ZINC000121177179 494633515 /nfs/dbraw/zinc/63/35/15/494633515.db2.gz BIYIFAKPPYMDJQ-JTQLQIEISA-N -1 3 351.147 3.307 20 0 FGADHM COc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCc3cc(C)ccc32)cc1OC ZINC000057019788 494622129 /nfs/dbraw/zinc/62/21/29/494622129.db2.gz HABPNQYPYMUNSM-OAHLLOKOSA-N -1 3 365.426 3.117 20 0 FGADHM C[C@H](c1ccncc1)N1CCC(NC(=O)c2cc(Cl)ccc2[O-])CC1 ZINC000121187599 494636938 /nfs/dbraw/zinc/63/69/38/494636938.db2.gz AQWJASRKVFYWOC-CYBMUJFWSA-N -1 3 359.857 3.396 20 0 FGADHM CC(C)c1ccc(C(=O)Nc2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)cc1 ZINC000047167228 494647416 /nfs/dbraw/zinc/64/74/16/494647416.db2.gz AYASHDYVBHZGRI-HXUWFJFHSA-N -1 3 351.406 3.117 20 0 FGADHM CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1c([O-])cccc1F ZINC000121214453 494649265 /nfs/dbraw/zinc/64/92/65/494649265.db2.gz MMIHERRMTSSAJX-UHFFFAOYSA-N -1 3 352.356 3.014 20 0 FGADHM COc1ccccc1[C@@H]([N-]S(=O)(=O)c1cccc(F)c1)c1ccccn1 ZINC000121214414 494649679 /nfs/dbraw/zinc/64/96/79/494649679.db2.gz UNCRIZMIUYFYLK-LJQANCHMSA-N -1 3 372.421 3.297 20 0 FGADHM CC(C)[C@H]1N(C(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])CC12CCCC2 ZINC000577465591 505733434 /nfs/dbraw/zinc/73/34/34/505733434.db2.gz UDGNYFZELQSPBC-IEBWSBKVSA-N -1 3 370.493 3.424 20 0 FGADHM CC(=O)NCc1ccc(S(=O)(=O)[N-]CC2CCC(C(C)C)CC2)s1 ZINC000126144766 494653098 /nfs/dbraw/zinc/65/30/98/494653098.db2.gz MMJUNMHRENUJLM-UHFFFAOYSA-N -1 3 372.556 3.125 20 0 FGADHM C[C@H](c1ccncc1)N(C)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000126166196 494659457 /nfs/dbraw/zinc/65/94/57/494659457.db2.gz OMDHVABKTMJBLH-LLVKDONJSA-N -1 3 364.243 3.452 20 0 FGADHM Cc1cccc(OCCCC(=O)Nc2ccccc2[N-]S(C)(=O)=O)c1 ZINC000024883715 494675155 /nfs/dbraw/zinc/67/51/55/494675155.db2.gz WRLMUUPSQYFRSZ-UHFFFAOYSA-N -1 3 362.451 3.164 20 0 FGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)CCc1ccc(Cl)cc1 ZINC000024893016 494677683 /nfs/dbraw/zinc/67/76/83/494677683.db2.gz CORIEPFJNGUPSP-UHFFFAOYSA-N -1 3 352.843 3.283 20 0 FGADHM COC(=O)c1ccc(F)c([N-]C(=O)c2cn(-c3ccc(Cl)cc3)nn2)c1 ZINC000024919628 494678608 /nfs/dbraw/zinc/67/86/08/494678608.db2.gz CJSQZXREQUUCSR-UHFFFAOYSA-N -1 3 374.759 3.099 20 0 FGADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000047327645 494682015 /nfs/dbraw/zinc/68/20/15/494682015.db2.gz BCMNWGNGWBGJRG-UHFFFAOYSA-N -1 3 372.787 3.114 20 0 FGADHM O=C(CNC(=O)c1ccccc1C(F)(F)F)Nc1cc(Cl)ccc1[O-] ZINC000126260935 494688933 /nfs/dbraw/zinc/68/89/33/494688933.db2.gz PLPVXBNMIQNHIY-UHFFFAOYSA-N -1 3 372.730 3.433 20 0 FGADHM COc1ccc(-c2nc(Sc3nc(C4CC4)ns3)n[n-]2)c(OC)c1 ZINC000092623352 494689384 /nfs/dbraw/zinc/68/93/84/494689384.db2.gz NAGWTPJHMWQIHC-UHFFFAOYSA-N -1 3 361.452 3.369 20 0 FGADHM COc1cc(N[C@@H]2CCCN(C(=O)c3ccc(C)cc3[O-])C2)cc(OC)c1 ZINC000121302410 494691378 /nfs/dbraw/zinc/69/13/78/494691378.db2.gz NKZWPMKFSCJHKL-OAHLLOKOSA-N -1 3 370.449 3.435 20 0 FGADHM CC(C)c1ccc(C(=O)N2CCC[C@H](C(=O)Nc3ccccn3)C2)c([O-])c1 ZINC000057248576 494693259 /nfs/dbraw/zinc/69/32/59/494693259.db2.gz YJXCLWKLDVFDKF-INIZCTEOSA-N -1 3 367.449 3.402 20 0 FGADHM CCOc1ccccc1C(=O)N1CCC[C@H]1C(=O)Nc1ccc(C)cc1[O-] ZINC000047430095 494705660 /nfs/dbraw/zinc/70/56/60/494705660.db2.gz GTXQLXYJRYKQKU-KRWDZBQOSA-N -1 3 368.433 3.343 20 0 FGADHM CCOC(=O)c1ccc(CN2CCC(C(=O)Nc3ccccc3[O-])CC2)o1 ZINC000121380034 494729697 /nfs/dbraw/zinc/72/96/97/494729697.db2.gz CLPWIDBMYWCSCX-UHFFFAOYSA-N -1 3 372.421 3.013 20 0 FGADHM CCc1ccc([O-])c(C(=O)N(C)Cc2nc([C@@H](C)OCC(C)C)no2)c1 ZINC000091991321 494746754 /nfs/dbraw/zinc/74/67/54/494746754.db2.gz QEMDYUMHKBEDQL-CYBMUJFWSA-N -1 3 361.442 3.343 20 0 FGADHM C[C@H](CSCc1ccccc1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000131833554 494747320 /nfs/dbraw/zinc/74/73/20/494747320.db2.gz ZZZZUSFZLSWMIK-CYBMUJFWSA-N -1 3 353.451 3.375 20 0 FGADHM C[C@H](CSCc1ccccc1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000131833554 494747328 /nfs/dbraw/zinc/74/73/28/494747328.db2.gz ZZZZUSFZLSWMIK-CYBMUJFWSA-N -1 3 353.451 3.375 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(OCc3nccn3C)cc2)cc1 ZINC000108639388 494755951 /nfs/dbraw/zinc/75/59/51/494755951.db2.gz IAMBVGHMFHLKPA-UHFFFAOYSA-N -1 3 357.435 3.108 20 0 FGADHM CC(C)CC(=O)Nc1cccc(CNC(=O)c2cc(F)cc3nn[n-]c32)c1 ZINC000574292016 505739988 /nfs/dbraw/zinc/73/99/88/505739988.db2.gz GONXHYKYHDNBBV-UHFFFAOYSA-N -1 3 369.400 3.012 20 0 FGADHM CC(C)CC(=O)Nc1cccc(CNC(=O)c2cc(F)cc3[n-]nnc32)c1 ZINC000574292016 505739993 /nfs/dbraw/zinc/73/99/93/505739993.db2.gz GONXHYKYHDNBBV-UHFFFAOYSA-N -1 3 369.400 3.012 20 0 FGADHM CC(C)CC(=O)Nc1cccc(CNC(=O)c2cc(F)cc3n[n-]nc32)c1 ZINC000574292016 505739995 /nfs/dbraw/zinc/73/99/95/505739995.db2.gz GONXHYKYHDNBBV-UHFFFAOYSA-N -1 3 369.400 3.012 20 0 FGADHM Cc1ccc(F)c(S(=O)(=O)[N-][C@H](C)c2ccccc2-n2cccn2)c1 ZINC000131875076 494761173 /nfs/dbraw/zinc/76/11/73/494761173.db2.gz PIUATXFJJZQOOW-CQSZACIVSA-N -1 3 359.426 3.359 20 0 FGADHM CCc1ccc([C@@H](C)C(=O)Nc2nc(-c3ccccc3OC)n[n-]2)cc1 ZINC000068110822 494764407 /nfs/dbraw/zinc/76/44/07/494764407.db2.gz PFLHEEUVNJOYNR-CYBMUJFWSA-N -1 3 350.422 3.207 20 0 FGADHM COc1cccc2c1CC[C@@H]2[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000131972502 494789678 /nfs/dbraw/zinc/78/96/78/494789678.db2.gz LCWLAHPDHMKPJS-LBPRGKRZSA-N -1 3 357.353 3.078 20 0 FGADHM CN(CC1CC1)C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000047905079 494791081 /nfs/dbraw/zinc/79/10/81/494791081.db2.gz KJVIGKXACOUTIV-UHFFFAOYSA-N -1 3 362.426 3.109 20 0 FGADHM CCCOc1cccc(CN2CCN(C(=O)c3cccc([O-])c3)CC2)c1 ZINC000092937753 494791478 /nfs/dbraw/zinc/79/14/78/494791478.db2.gz MDBKPIVQFYZCLC-UHFFFAOYSA-N -1 3 354.450 3.139 20 0 FGADHM O=C(CSC[C@@H]1CCCCO1)Nc1cc(Br)ccc1[O-] ZINC000126644469 494809026 /nfs/dbraw/zinc/80/90/26/494809026.db2.gz CNRUJVBQNLRZCO-NSHDSACASA-N -1 3 360.273 3.396 20 0 FGADHM COc1cc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)ccc1OCC(C)C ZINC000026254586 494812217 /nfs/dbraw/zinc/81/22/17/494812217.db2.gz OHGBFMJFMXLRMY-UHFFFAOYSA-N -1 3 358.320 3.119 20 0 FGADHM COc1cc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)ccc1OCC(C)C ZINC000026254586 494812223 /nfs/dbraw/zinc/81/22/23/494812223.db2.gz OHGBFMJFMXLRMY-UHFFFAOYSA-N -1 3 358.320 3.119 20 0 FGADHM CCc1cc(=O)[n-]c(CN2CCO[C@@H](c3cccc(C(F)(F)F)c3)C2)n1 ZINC000121647435 494829276 /nfs/dbraw/zinc/82/92/76/494829276.db2.gz DYZQSBXDHNBPEB-OAHLLOKOSA-N -1 3 367.371 3.337 20 0 FGADHM Cc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc2c(c1)CCO2 ZINC000026543865 494831606 /nfs/dbraw/zinc/83/16/06/494831606.db2.gz FLCXQWAZOSFCCR-UHFFFAOYSA-N -1 3 368.252 3.493 20 0 FGADHM [O-]c1ccc(Br)c(CN2CCC(OC3CCOCC3)CC2)c1 ZINC000093140996 494833125 /nfs/dbraw/zinc/83/31/25/494833125.db2.gz HTSRHJMGTHEEPN-UHFFFAOYSA-N -1 3 370.287 3.315 20 0 FGADHM C[C@H](NC(=O)c1cc2c(cc1[O-])CCCC2)c1ccc(-n2cncn2)cc1 ZINC000109190183 494842862 /nfs/dbraw/zinc/84/28/62/494842862.db2.gz VLDAQJCQZXGKNQ-AWEZNQCLSA-N -1 3 362.433 3.343 20 0 FGADHM COc1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1CCC[C@H](C)C1 ZINC000026875162 494843157 /nfs/dbraw/zinc/84/31/57/494843157.db2.gz CPBWVCJJIVCPKK-CMPLNLGQSA-N -1 3 362.289 3.315 20 0 FGADHM Cc1ccc(C(=O)N2CSC[C@H]2C(=O)Nc2ccccc2C)c([O-])c1 ZINC000109214962 494848039 /nfs/dbraw/zinc/84/80/39/494848039.db2.gz HEWYGAQVTFLGEO-INIZCTEOSA-N -1 3 356.447 3.163 20 0 FGADHM C[C@@H](O)C[C@H]1CCCN1C(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000093241796 494850289 /nfs/dbraw/zinc/85/02/89/494850289.db2.gz UVKXJCNWHNIETN-NVXWUHKLSA-N -1 3 355.434 3.347 20 0 FGADHM CCc1cccc2c(CC(=O)Nc3ccccc3[N-]S(C)(=O)=O)c[nH]c21 ZINC000109252519 494851798 /nfs/dbraw/zinc/85/17/98/494851798.db2.gz BUENZEUTUJGCSW-UHFFFAOYSA-N -1 3 371.462 3.283 20 0 FGADHM COC(=O)c1cc(C)nc2nc(SCCCc3ccccc3)[n-]c(=O)c12 ZINC000126876283 494854581 /nfs/dbraw/zinc/85/45/81/494854581.db2.gz FMWUXNLUSAXJSG-UHFFFAOYSA-N -1 3 369.446 3.138 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N(Cc2ccc(F)cc2F)C2CC2)c1 ZINC000121784891 494860165 /nfs/dbraw/zinc/86/01/65/494860165.db2.gz JTHRFKOVQHZNSL-UHFFFAOYSA-N -1 3 360.360 3.434 20 0 FGADHM O=C(Nc1cnn(CC(F)F)c1)c1c[n-]nc1-c1ccc(Cl)cc1 ZINC000116842842 494861269 /nfs/dbraw/zinc/86/12/69/494861269.db2.gz PXGJSXLBJCYSQV-UHFFFAOYSA-N -1 3 351.744 3.444 20 0 FGADHM C[C@@H](CNC(=O)c1ccc(Br)cc1[O-])N1CCC[C@@H](C)C1 ZINC000109363888 494864710 /nfs/dbraw/zinc/86/47/10/494864710.db2.gz OQCGVMRRLXSYHE-NEPJUHHUSA-N -1 3 355.276 3.005 20 0 FGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000093313531 494866444 /nfs/dbraw/zinc/86/64/44/494866444.db2.gz YDLBQHDOWFLRLC-VHSXEESVSA-N -1 3 364.348 3.434 20 0 FGADHM CCCC[C@H](COC)NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000126949009 494866543 /nfs/dbraw/zinc/86/65/43/494866543.db2.gz WWKGOCKVIJSEQW-GFCCVEGCSA-N -1 3 359.264 3.159 20 0 FGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)CCCOc1ccccc1F ZINC000093315935 494867407 /nfs/dbraw/zinc/86/74/07/494867407.db2.gz PHRDPXSPHKUKHW-UHFFFAOYSA-N -1 3 364.373 3.351 20 0 FGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)CCc1cn(C)c2ccccc12 ZINC000093317971 494867448 /nfs/dbraw/zinc/86/74/48/494867448.db2.gz ORYBVKACJUGFCS-UHFFFAOYSA-N -1 3 369.421 3.477 20 0 FGADHM O=C(COc1ccccc1OCC(F)(F)F)Nc1ccc([O-])cc1F ZINC000121823437 494869003 /nfs/dbraw/zinc/86/90/03/494869003.db2.gz DLBLWGOFEQQMPN-UHFFFAOYSA-N -1 3 359.275 3.490 20 0 FGADHM CN(c1ccc([N-]S(=O)(=O)c2cccs2)cc1)C1CCN(C)CC1 ZINC000109425867 494871652 /nfs/dbraw/zinc/87/16/52/494871652.db2.gz ROXWQPLNJHDZPS-UHFFFAOYSA-N -1 3 365.524 3.079 20 0 FGADHM COC(=O)c1cnc([N-]C(=O)c2occc2Br)c(Cl)c1 ZINC000580386704 505747065 /nfs/dbraw/zinc/74/70/65/505747065.db2.gz WKNBSXHXZOILPS-UHFFFAOYSA-N -1 3 359.563 3.129 20 0 FGADHM CC[C@H](C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)c1ccc(F)cc1 ZINC000126987196 494873521 /nfs/dbraw/zinc/87/35/21/494873521.db2.gz PFDSWUOKHRNIHK-IBGZPJMESA-N -1 3 370.424 3.010 20 0 FGADHM CCOC(=O)Cc1csc([N-]C(=O)c2cc(C(CC)CC)no2)n1 ZINC000132436487 494873999 /nfs/dbraw/zinc/87/39/99/494873999.db2.gz IAJVDUMYYMRQIE-UHFFFAOYSA-N -1 3 351.428 3.393 20 0 FGADHM CC(=O)N(c1nc(CSc2n[n-]c(-c3ccccn3)n2)cs1)C1CC1 ZINC000117113907 494891758 /nfs/dbraw/zinc/89/17/58/494891758.db2.gz 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3.114 20 0 FGADHM O=C(NC1CCN(CC(F)F)CC1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000110223496 494958923 /nfs/dbraw/zinc/95/89/23/494958923.db2.gz HRUDHTBQVAUFLV-UHFFFAOYSA-N -1 3 374.431 3.442 20 0 FGADHM Cc1cccc([C@@H]2CCCCCN2C(=O)Cc2c(C)nc(C)[n-]c2=O)c1 ZINC000117858693 494960126 /nfs/dbraw/zinc/96/01/26/494960126.db2.gz DDDYVTCTRJHCNV-IBGZPJMESA-N -1 3 353.466 3.382 20 0 FGADHM CC1(C)Cc2ccc(C(=O)Nc3cccc(-c4nc[nH]n4)c3)c([O-])c2O1 ZINC000117982971 494968154 /nfs/dbraw/zinc/96/81/54/494968154.db2.gz FMUFPHDFGDTLOI-UHFFFAOYSA-N -1 3 350.378 3.143 20 0 FGADHM Cc1c(C(=O)NCc2ccc([O-])c(F)c2)nnn1-c1cccc(Cl)c1 ZINC000133123159 494972948 /nfs/dbraw/zinc/97/29/48/494972948.db2.gz YLYJNYXELZMRGB-UHFFFAOYSA-N -1 3 360.776 3.004 20 0 FGADHM Cc1ccc(NC(=O)CCSCc2nc3ccccc3c(=O)[nH]2)c([O-])c1 ZINC000122555646 494993214 /nfs/dbraw/zinc/99/32/14/494993214.db2.gz GFHOEQVNGUATNY-UHFFFAOYSA-N -1 3 369.446 3.199 20 0 FGADHM Cc1sc2[n-]c(CN3CCC[C@H]3CO)nc(=O)c2c1-c1ccc(C)cc1 ZINC000118401325 495000788 /nfs/dbraw/zinc/00/07/88/495000788.db2.gz SGHLJEPNPGUJPR-HNNXBMFYSA-N -1 3 369.490 3.225 20 0 FGADHM COc1cccc([C@@H](C[N-]S(=O)(=O)c2ccc(Cl)s2)OC)c1 ZINC000096390242 495011143 /nfs/dbraw/zinc/01/11/43/495011143.db2.gz ZQPITVJURWRHDR-GFCCVEGCSA-N -1 3 361.872 3.076 20 0 FGADHM CC(=O)Nc1cc(C(=O)NCc2ccc([O-])c(F)c2)cc(C(F)(F)F)c1 ZINC000133558259 495028661 /nfs/dbraw/zinc/02/86/61/495028661.db2.gz SBRKIVMPSKBFHF-UHFFFAOYSA-N -1 3 370.302 3.439 20 0 FGADHM C[C@H]1CCCN(C(=O)Cc2csc(NC(=O)c3cccc([O-])c3)n2)CC1 ZINC000118781511 495034911 /nfs/dbraw/zinc/03/49/11/495034911.db2.gz QRMQHQWPNVTMEJ-ZDUSSCGKSA-N -1 3 373.478 3.292 20 0 FGADHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N(C)CC3)c(C)c1 ZINC000122844167 495040209 /nfs/dbraw/zinc/04/02/09/495040209.db2.gz LOIYCLZSGCYEOC-UHFFFAOYSA-N -1 3 358.463 3.041 20 0 FGADHM COc1ccc(C2(CNC(=O)c3ccc(C)cc3[O-])CCOCC2)cc1 ZINC000098110399 495057365 /nfs/dbraw/zinc/05/73/65/495057365.db2.gz GTJLFQIGDFFXPK-UHFFFAOYSA-N -1 3 355.434 3.187 20 0 FGADHM COc1c(C)cc(CN(C)C(=O)c2c[n-]c3ccccc3c2=O)cc1C ZINC000101529755 495072565 /nfs/dbraw/zinc/07/25/65/495072565.db2.gz LQWNCHGSAMCUOB-UHFFFAOYSA-N -1 3 350.418 3.426 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1ccccc1Cl)c1noc(-c2ccccc2)n1 ZINC000128324104 495079580 /nfs/dbraw/zinc/07/95/80/495079580.db2.gz LFPOMBXNKNJEGP-NSHDSACASA-N -1 3 363.826 3.430 20 0 FGADHM O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)c1cncc([O-])c1 ZINC000111548353 495086910 /nfs/dbraw/zinc/08/69/10/495086910.db2.gz LJBRHSBJBRIQIZ-UHFFFAOYSA-N -1 3 366.446 3.054 20 0 FGADHM O=C(CCNC(=O)N1CCc2ccccc2C1)Nc1cc(Cl)ccc1[O-] ZINC000111577673 495088694 /nfs/dbraw/zinc/08/86/94/495088694.db2.gz MHESOHLCFVJULY-UHFFFAOYSA-N -1 3 373.840 3.142 20 0 FGADHM CC(C)c1cc(C(=O)N2CCO[C@H](Cn3cccn3)C2)c([O-])c(C(C)C)c1 ZINC000111650002 495092072 /nfs/dbraw/zinc/09/20/72/495092072.db2.gz VLVGDZNBGFSZDB-KRWDZBQOSA-N -1 3 371.481 3.377 20 0 FGADHM Cc1nc(C)c(CC(=O)N[C@H](c2ccc(F)cc2F)C(C)(C)C)c(=O)[n-]1 ZINC000119130001 495099552 /nfs/dbraw/zinc/09/95/52/495099552.db2.gz OMVDKAWNOAHEHW-QGZVFWFLSA-N -1 3 363.408 3.111 20 0 FGADHM Cc1cccc(C(=O)N[C@H](C)C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)c1 ZINC000134223849 495124200 /nfs/dbraw/zinc/12/42/00/495124200.db2.gz IANSOLOPSFTVLS-LLVKDONJSA-N -1 3 366.339 3.476 20 0 FGADHM O=C(Nc1cccc([O-])c1F)c1cc(Br)c2c(c1)OCCO2 ZINC000128612267 495124540 /nfs/dbraw/zinc/12/45/40/495124540.db2.gz GUIQQEBXEUKDGD-UHFFFAOYSA-N -1 3 368.158 3.317 20 0 FGADHM CCN(Cc1ccccc1)C(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000119239786 495124735 /nfs/dbraw/zinc/12/47/35/495124735.db2.gz DZOCSPLWXRXLKR-GOSISDBHSA-N -1 3 352.434 3.046 20 0 FGADHM Cc1nc(C)c(CCC(=O)N[C@@H](c2ccc(F)cc2F)C(C)C)c(=O)[n-]1 ZINC000119275404 495131375 /nfs/dbraw/zinc/13/13/75/495131375.db2.gz QPYPISIOXPSYCE-GOSISDBHSA-N -1 3 363.408 3.111 20 0 FGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)Cc1coc(-c2ccccc2)n1 ZINC000134292747 495131672 /nfs/dbraw/zinc/13/16/72/495131672.db2.gz MUAYZCJZJKYRSQ-UHFFFAOYSA-N -1 3 369.377 3.250 20 0 FGADHM Cc1ccccc1S(=O)(=O)[N-]c1ccc([C@@H](C)N2CCOCC2)cc1 ZINC000111994865 495134730 /nfs/dbraw/zinc/13/47/30/495134730.db2.gz WTUGDSLYGKRCLC-MRXNPFEDSA-N -1 3 360.479 3.189 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)C(=O)Nc1ccccc1 ZINC000112090521 495143150 /nfs/dbraw/zinc/14/31/50/495143150.db2.gz SAIZJTNAACVLCJ-SNVBAGLBSA-N -1 3 373.261 3.299 20 0 FGADHM CN(Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1)[C@@H](CO)C(C)(C)C ZINC000134441073 495149786 /nfs/dbraw/zinc/14/97/86/495149786.db2.gz NGPGKDNQNGHTOV-ZDUSSCGKSA-N -1 3 361.467 3.083 20 0 FGADHM COC(=O)c1cc([N-]C(=O)c2cnc([C@@H]3CCCO3)s2)c(F)cc1F ZINC000119392717 495157623 /nfs/dbraw/zinc/15/76/23/495157623.db2.gz RCYMOUMTEZHLTG-LBPRGKRZSA-N -1 3 368.361 3.312 20 0 FGADHM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3cc(F)ccc3Cl)ccc21 ZINC000102748792 495158605 /nfs/dbraw/zinc/15/86/05/495158605.db2.gz AZTSARDRBIIWHQ-UHFFFAOYSA-N -1 3 368.817 3.189 20 0 FGADHM O=C(COc1cc(Cl)cc(Cl)c1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000123602706 495158727 /nfs/dbraw/zinc/15/87/27/495158727.db2.gz YBCDEDODLUDEQJ-UHFFFAOYSA-N -1 3 364.192 3.191 20 0 FGADHM O=C(COc1cc(Cl)cc(Cl)c1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000123602706 495158728 /nfs/dbraw/zinc/15/87/28/495158728.db2.gz YBCDEDODLUDEQJ-UHFFFAOYSA-N -1 3 364.192 3.191 20 0 FGADHM O=C(NCCCNc1ncnc2cc(Cl)ccc21)c1cccc([O-])c1 ZINC000102766760 495160349 /nfs/dbraw/zinc/16/03/49/495160349.db2.gz PBRVCMCEGOSCAO-UHFFFAOYSA-N -1 3 356.813 3.221 20 0 FGADHM CC(C)N(C)c1ccccc1[N-]S(=O)(=O)c1ccc(CN(C)C)cc1 ZINC000580458881 505764742 /nfs/dbraw/zinc/76/47/42/505764742.db2.gz NIEXJJBKPSZGQY-UHFFFAOYSA-N -1 3 361.511 3.394 20 0 FGADHM COC(=O)c1ccsc1[N-]C(=O)C(=O)N(CC1CC1)C1CCCCC1 ZINC000128890615 495164639 /nfs/dbraw/zinc/16/46/39/495164639.db2.gz CDVFNAIQRPAUHE-UHFFFAOYSA-N -1 3 364.467 3.045 20 0 FGADHM COc1ccc(C(=O)N(C)C2CCN(c3ccc(F)cc3)CC2)c([O-])c1 ZINC000102910703 495171206 /nfs/dbraw/zinc/17/12/06/495171206.db2.gz CGDHJPSSSOSUSO-UHFFFAOYSA-N -1 3 358.413 3.281 20 0 FGADHM COc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCOC3(CCCC3)C2)c1 ZINC000134647701 495181109 /nfs/dbraw/zinc/18/11/09/495181109.db2.gz GNSFSDTVZCOTLM-LBPRGKRZSA-N -1 3 359.875 3.119 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1cccc(Oc2nccs2)c1 ZINC000134671172 495184781 /nfs/dbraw/zinc/18/47/81/495184781.db2.gz OZMHHHBXDAIESX-UHFFFAOYSA-N -1 3 364.390 3.368 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cccc(Oc2nccs2)c1 ZINC000134671172 495184782 /nfs/dbraw/zinc/18/47/82/495184782.db2.gz OZMHHHBXDAIESX-UHFFFAOYSA-N -1 3 364.390 3.368 20 0 FGADHM CN(C)C(=O)c1cccc(C(=O)Nc2ccc(Br)cc2[O-])c1 ZINC000103069473 495188687 /nfs/dbraw/zinc/18/86/87/495188687.db2.gz BZCFUKOXAGXWAM-UHFFFAOYSA-N -1 3 363.211 3.109 20 0 FGADHM O=C1[N-]C(=O)C(=CN[C@H](c2cccc(F)c2)c2ccccn2)c2ccccc21 ZINC000119597976 495198145 /nfs/dbraw/zinc/19/81/45/495198145.db2.gz DYDPUHKSDULVQY-ITICKHJUSA-N -1 3 373.387 3.211 20 0 FGADHM O=S(=O)([N-]Cc1cccc(F)c1)c1ccc(F)cc1C(F)(F)F ZINC000103154316 495199615 /nfs/dbraw/zinc/19/96/15/495199615.db2.gz CJYKTSUIXGXJKY-UHFFFAOYSA-N -1 3 351.296 3.462 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)NC[C@H]2CCCC[C@H]2C(F)(F)F)c1 ZINC000580473105 505767012 /nfs/dbraw/zinc/76/70/12/505767012.db2.gz IZXKAXQHQBWWDF-BXUZGUMPSA-N -1 3 358.360 3.449 20 0 FGADHM COC(=O)c1cc(C)nc2nc(S[C@H](C)c3ccc(F)cc3)[n-]c(=O)c21 ZINC000112537430 495203386 /nfs/dbraw/zinc/20/33/86/495203386.db2.gz FAIFYBYLKQIKOY-SNVBAGLBSA-N -1 3 373.409 3.406 20 0 FGADHM Cc1ccc(-c2nnc(NC(=O)Cc3cccc(OC(F)(F)F)c3)[n-]2)o1 ZINC000119673470 495215454 /nfs/dbraw/zinc/21/54/54/495215454.db2.gz HRFOOGMINYEGQK-UHFFFAOYSA-N -1 3 366.299 3.453 20 0 FGADHM Cc1ccc(-c2n[n-]c(NC(=O)Cc3cccc(OC(F)(F)F)c3)n2)o1 ZINC000119673470 495215458 /nfs/dbraw/zinc/21/54/58/495215458.db2.gz HRFOOGMINYEGQK-UHFFFAOYSA-N -1 3 366.299 3.453 20 0 FGADHM Cc1ccc(-c2nc(NC(=O)Cc3cccc(OC(F)(F)F)c3)n[n-]2)o1 ZINC000119673470 495215462 /nfs/dbraw/zinc/21/54/62/495215462.db2.gz HRFOOGMINYEGQK-UHFFFAOYSA-N -1 3 366.299 3.453 20 0 FGADHM Cn1ccnc1-c1cc(NC(=O)c2cc(Cl)ccc2OC(F)F)n[n-]1 ZINC000119708035 495223136 /nfs/dbraw/zinc/22/31/36/495223136.db2.gz ZIWNHNOADLYEFI-UHFFFAOYSA-N -1 3 367.743 3.317 20 0 FGADHM Cn1ccnc1-c1cc(NC(=O)c2cc(Cl)ccc2OC(F)F)[n-]n1 ZINC000119708035 495223140 /nfs/dbraw/zinc/22/31/40/495223140.db2.gz ZIWNHNOADLYEFI-UHFFFAOYSA-N -1 3 367.743 3.317 20 0 FGADHM Cc1csc(C2([N-]S(=O)(=O)c3ccc(F)c(F)c3)CCCC2)n1 ZINC000112707274 495227226 /nfs/dbraw/zinc/22/72/26/495227226.db2.gz GVCGEKMPVHHGAW-UHFFFAOYSA-N -1 3 358.435 3.478 20 0 FGADHM CCC1(CC)[C@H](NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)C[C@H]1OC ZINC000119755424 495234337 /nfs/dbraw/zinc/23/43/37/495234337.db2.gz UYEZSGCQROGFJD-HZPDHXFCSA-N -1 3 360.429 3.299 20 0 FGADHM COc1cc(C)c([N-]S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)c(C)c1C ZINC000580488795 505769511 /nfs/dbraw/zinc/76/95/11/505769511.db2.gz HAUSQDHYTAFAKQ-UHFFFAOYSA-N -1 3 372.446 3.263 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-][C@H](C)c1cccc(N2CCCC2)c1 ZINC000124228546 495253856 /nfs/dbraw/zinc/25/38/56/495253856.db2.gz CAPDJUXSASYVDU-CYBMUJFWSA-N -1 3 366.508 3.396 20 0 FGADHM C[C@@H](CSc1ccc(F)cc1)C(=O)Nc1cc(-c2nccn2C)[n-]n1 ZINC000119852700 495254677 /nfs/dbraw/zinc/25/46/77/495254677.db2.gz FOCAIMSIFRXRGF-NSHDSACASA-N -1 3 359.430 3.316 20 0 FGADHM C[C@@H](CSc1ccc(F)cc1)C(=O)Nc1cc(-c2nccn2C)n[n-]1 ZINC000119852700 495254680 /nfs/dbraw/zinc/25/46/80/495254680.db2.gz FOCAIMSIFRXRGF-NSHDSACASA-N -1 3 359.430 3.316 20 0 FGADHM COC(=O)Cc1n[n-]c(NC(=O)CC2(CCc3ccccc3)CCCC2)n1 ZINC000135163602 495257972 /nfs/dbraw/zinc/25/79/72/495257972.db2.gz KFHSMBUSSWEDDR-UHFFFAOYSA-N -1 3 370.453 3.042 20 0 FGADHM COC(=O)Cc1nnc(NC(=O)CC2(CCc3ccccc3)CCCC2)[n-]1 ZINC000135163602 495257976 /nfs/dbraw/zinc/25/79/76/495257976.db2.gz KFHSMBUSSWEDDR-UHFFFAOYSA-N -1 3 370.453 3.042 20 0 FGADHM COC(=O)Cc1nc(NC(=O)CC2(CCc3ccccc3)CCCC2)n[n-]1 ZINC000135163602 495257980 /nfs/dbraw/zinc/25/79/80/495257980.db2.gz KFHSMBUSSWEDDR-UHFFFAOYSA-N -1 3 370.453 3.042 20 0 FGADHM CCC(CC)(CCO)C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000124268171 495260387 /nfs/dbraw/zinc/26/03/87/495260387.db2.gz PBAMAZVXMWVDRE-UHFFFAOYSA-N -1 3 371.396 3.312 20 0 FGADHM Cc1ncc(C[N-]S(=O)(=O)c2ccc(-c3csc(C)n3)s2)s1 ZINC000119906576 495266799 /nfs/dbraw/zinc/26/67/99/495266799.db2.gz IAWULQHZXJCBJQ-UHFFFAOYSA-N -1 3 371.534 3.423 20 0 FGADHM O=C(Cc1cc2ccccc2[nH]c1=O)Nc1ccc(Br)cc1[O-] ZINC000124311985 495267507 /nfs/dbraw/zinc/26/75/07/495267507.db2.gz IYWXTKUXNWLKIM-UHFFFAOYSA-N -1 3 373.206 3.177 20 0 FGADHM CCOC(=O)c1ccc(NC(=O)c2cn(-c3ccccc3)nc2C)c([O-])c1 ZINC000129607765 495269540 /nfs/dbraw/zinc/26/95/40/495269540.db2.gz SWUGOGSZSFVQBO-UHFFFAOYSA-N -1 3 365.389 3.315 20 0 FGADHM Cc1nc(C)c(CCC(=O)N(C)c2cc(Cl)cc(Cl)c2)c(=O)[n-]1 ZINC000113097200 495274764 /nfs/dbraw/zinc/27/47/64/495274764.db2.gz GOIFDBICXBUDHD-UHFFFAOYSA-N -1 3 354.237 3.289 20 0 FGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H](C)[C@H](C)c1ccccc1 ZINC000124424227 495285362 /nfs/dbraw/zinc/28/53/62/495285362.db2.gz 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CCCN(CC)C(=O)c1ccc(C(=O)Nc2nnc(-c3ccco3)[n-]2)cc1 ZINC000104837856 495309579 /nfs/dbraw/zinc/30/95/79/495309579.db2.gz BAPIRICDXUFSCD-UHFFFAOYSA-N -1 3 367.409 3.189 20 0 FGADHM CCCN(CC)C(=O)c1ccc(C(=O)Nc2nc(-c3ccco3)n[n-]2)cc1 ZINC000104837856 495309582 /nfs/dbraw/zinc/30/95/82/495309582.db2.gz BAPIRICDXUFSCD-UHFFFAOYSA-N -1 3 367.409 3.189 20 0 FGADHM CCCN(CC)C(=O)c1ccc(C(=O)Nc2n[n-]c(-c3ccco3)n2)cc1 ZINC000104837856 495309584 /nfs/dbraw/zinc/30/95/84/495309584.db2.gz BAPIRICDXUFSCD-UHFFFAOYSA-N -1 3 367.409 3.189 20 0 FGADHM O=C(N[C@@H](c1ccc(Cl)cc1)C1CC1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000104836373 495309645 /nfs/dbraw/zinc/30/96/45/495309645.db2.gz RQUKLMXVNIEODD-MRXNPFEDSA-N -1 3 354.793 3.105 20 0 FGADHM COc1ccc([O-])c(C(=O)Nc2ccc(CN(C(C)=O)C3CC3)cc2)c1 ZINC000124743438 495335932 /nfs/dbraw/zinc/33/59/32/495335932.db2.gz YUIOHTSKOKKEPN-UHFFFAOYSA-N -1 3 354.406 3.164 20 0 FGADHM CCOC(=O)c1ccc(NC(=O)c2ccn(-c3ccccc3F)n2)c([O-])c1 ZINC000124776315 495341512 /nfs/dbraw/zinc/34/15/12/495341512.db2.gz QMKKBRQVZDUBOU-UHFFFAOYSA-N -1 3 369.352 3.146 20 0 FGADHM CCOC(=O)c1ccc(NC(=O)Cc2nc(-c3ccco3)oc2C)c([O-])c1 ZINC000124777414 495341791 /nfs/dbraw/zinc/34/17/91/495341791.db2.gz GDSFPSKDUHJBGI-UHFFFAOYSA-N -1 3 370.361 3.307 20 0 FGADHM Cc1ccc([N-]S(=O)(=O)c2cnn(-c3ccccc3)c2)c(CN(C)C)c1 ZINC000114054289 495346740 /nfs/dbraw/zinc/34/67/40/495346740.db2.gz PYESROXXJUFTDK-UHFFFAOYSA-N -1 3 370.478 3.043 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)NCCOc3ccccc3Cl)c[n-]c12 ZINC000120329549 495353867 /nfs/dbraw/zinc/35/38/67/495353867.db2.gz XROVUQAPJJLGOP-UHFFFAOYSA-N -1 3 374.799 3.438 20 0 FGADHM O=S(=O)([N-][C@@H](c1ccccc1)c1ccncc1)c1cc(F)cc(F)c1 ZINC000136151261 495360085 /nfs/dbraw/zinc/36/00/85/495360085.db2.gz SHRFONUKUOBVLT-SFHVURJKSA-N -1 3 360.385 3.428 20 0 FGADHM COc1cc(C)c(S(=O)(=O)[N-]c2cc(F)c(F)cc2F)cc1OC ZINC000105390109 495361312 /nfs/dbraw/zinc/36/13/12/495361312.db2.gz SXJSBZOYKJKURV-UHFFFAOYSA-N -1 3 361.341 3.230 20 0 FGADHM COCCOc1ccc(NC(=O)Cc2ccc([O-])cc2Cl)cc1F ZINC000136206172 495364578 /nfs/dbraw/zinc/36/45/78/495364578.db2.gz IKURUYLIZPPSFP-UHFFFAOYSA-N -1 3 353.777 3.391 20 0 FGADHM CC(C)(CNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])c1cccs1 ZINC000114551755 495391414 /nfs/dbraw/zinc/39/14/14/495391414.db2.gz KDPVHHOLZUFEBM-HNNXBMFYSA-N -1 3 372.490 3.152 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)c3cnn(C(C)C)c3C3CC3)[n-]c21 ZINC000130440573 495392718 /nfs/dbraw/zinc/39/27/18/495392718.db2.gz XRRYLPPRPZRZDH-UHFFFAOYSA-N -1 3 367.409 3.257 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cnn(C(C)C)c3C3CC3)nc21 ZINC000130440573 495392724 /nfs/dbraw/zinc/39/27/24/495392724.db2.gz XRRYLPPRPZRZDH-UHFFFAOYSA-N -1 3 367.409 3.257 20 0 FGADHM O=S(=O)([N-]CCc1cccnc1)c1ccc(Cl)cc1C(F)(F)F ZINC000105764992 495393247 /nfs/dbraw/zinc/39/32/47/495393247.db2.gz FMCDOOMZGGDRFV-UHFFFAOYSA-N -1 3 364.776 3.275 20 0 FGADHM CC(C)c1cc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)nn1-c1ccccc1 ZINC000125155604 495399133 /nfs/dbraw/zinc/39/91/33/495399133.db2.gz TXZYTEYJVJWJBG-UHFFFAOYSA-N -1 3 373.420 3.428 20 0 FGADHM CC(C)c1cc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)nn1-c1ccccc1 ZINC000125155604 495399134 /nfs/dbraw/zinc/39/91/34/495399134.db2.gz TXZYTEYJVJWJBG-UHFFFAOYSA-N -1 3 373.420 3.428 20 0 FGADHM Cc1cccc2c(CCC(=O)Nc3ccc(Cc4nnn[n-]4)cc3)c[nH]c21 ZINC000136992432 495416021 /nfs/dbraw/zinc/41/60/21/495416021.db2.gz CDQDHENHMNEQDP-UHFFFAOYSA-N -1 3 360.421 3.152 20 0 FGADHM Cc1cccc2c(CCC(=O)Nc3ccc(Cc4nn[n-]n4)cc3)c[nH]c21 ZINC000136992432 495416024 /nfs/dbraw/zinc/41/60/24/495416024.db2.gz CDQDHENHMNEQDP-UHFFFAOYSA-N -1 3 360.421 3.152 20 0 FGADHM O=C(CCC(=O)c1ccc(Cl)cc1)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000120614053 495418277 /nfs/dbraw/zinc/41/82/77/495418277.db2.gz ANPYMDUMXRFZMS-UHFFFAOYSA-N -1 3 369.812 3.046 20 0 FGADHM O=C(CCC(=O)c1ccc(Cl)cc1)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000120614053 495418282 /nfs/dbraw/zinc/41/82/82/495418282.db2.gz ANPYMDUMXRFZMS-UHFFFAOYSA-N -1 3 369.812 3.046 20 0 FGADHM CC(C)[C@H]([N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)OC(C)(C)C 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O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1ccc(Oc2ccccc2)nc1 ZINC000120791632 495458375 /nfs/dbraw/zinc/45/83/75/495458375.db2.gz WIRJJIKGVVMQMZ-UHFFFAOYSA-N -1 3 372.388 3.230 20 0 FGADHM Cc1nc(C)c(CC(=O)Nc2ccc(C)c(OCCC(C)C)c2)c(=O)[n-]1 ZINC000130905673 495464938 /nfs/dbraw/zinc/46/49/38/495464938.db2.gz PKKWDJPOSVNHTK-UHFFFAOYSA-N -1 3 357.454 3.301 20 0 FGADHM CC[C@@H](C(=O)Nc1[n-]cnc1C(=O)OC)c1cccc(C(F)(F)F)c1 ZINC000577743635 505784290 /nfs/dbraw/zinc/78/42/90/505784290.db2.gz VWRYYSQFUCFBGM-LLVKDONJSA-N -1 3 355.316 3.347 20 0 FGADHM CC[C@@H](C(=O)Nc1nc[n-]c1C(=O)OC)c1cccc(C(F)(F)F)c1 ZINC000577743635 505784293 /nfs/dbraw/zinc/78/42/93/505784293.db2.gz VWRYYSQFUCFBGM-LLVKDONJSA-N -1 3 355.316 3.347 20 0 FGADHM NC(=O)CSc1ccccc1[N-]C(=O)c1cc(F)c(F)c(F)c1F ZINC000115193402 495472499 /nfs/dbraw/zinc/47/24/99/495472499.db2.gz MJUWMIPALSSULI-UHFFFAOYSA-N -1 3 358.316 3.073 20 0 FGADHM CO[C@@](C)(C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1)c1ccccc1 ZINC000106633510 495480819 /nfs/dbraw/zinc/48/08/19/495480819.db2.gz HWYJZARXJOLEEL-OAQYLSRUSA-N -1 3 363.417 3.246 20 0 FGADHM Cc1ccnc(N2CCN(Cc3cc([O-])ccc3Br)CC2)c1 ZINC000120915561 495485179 /nfs/dbraw/zinc/48/51/79/495485179.db2.gz LUDCGADYDYJQMM-UHFFFAOYSA-N -1 3 362.271 3.180 20 0 FGADHM COc1ccccc1-c1nc(NC(=O)C[C@@H]2OCCc3ccccc32)n[n-]1 ZINC000115342791 495492381 /nfs/dbraw/zinc/49/23/81/495492381.db2.gz RJEWCKJWVNZCPV-KRWDZBQOSA-N -1 3 364.405 3.123 20 0 FGADHM COc1c(F)ccc(F)c1C(=O)[N-]c1nc(-c2nccn2C)cs1 ZINC000125757093 495494283 /nfs/dbraw/zinc/49/42/83/495494283.db2.gz INQDYBMYHHBOKT-UHFFFAOYSA-N -1 3 350.350 3.083 20 0 FGADHM CC=Cc1ccc(NC(=O)c2cnc3c(c2)c(=O)[n-]c(=O)n3C2CC2)cc1 ZINC000568826801 505785955 /nfs/dbraw/zinc/78/59/55/505785955.db2.gz OIWXNBQJCPUOEI-NSCUHMNNSA-N -1 3 362.389 3.117 20 0 FGADHM O=S(=O)([N-][C@H]1CCN(C2CCCC2)C1)c1cccc(Cl)c1Cl ZINC000106891669 495506997 /nfs/dbraw/zinc/50/69/97/495506997.db2.gz IBZJQTPPMZGXCK-NSHDSACASA-N -1 3 363.310 3.289 20 0 FGADHM COC(=O)C1CCC([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000106892849 495507276 /nfs/dbraw/zinc/50/72/76/495507276.db2.gz DYOUHXXRHWEHNF-UHFFFAOYSA-N -1 3 366.266 3.004 20 0 FGADHM Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000141602155 495508176 /nfs/dbraw/zinc/50/81/76/495508176.db2.gz GTHFPTXBLOMLOA-JTQLQIEISA-N -1 3 358.872 3.015 20 0 FGADHM Cc1cccc([C@@H](C)NC(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)c1C ZINC000115492469 495510608 /nfs/dbraw/zinc/51/06/08/495510608.db2.gz ZJDQPWGXQJHJGH-CYBMUJFWSA-N -1 3 364.442 3.305 20 0 FGADHM Cc1nn(C)c2ncc(S(=O)(=O)[N-]c3cc(Cl)ccc3Cl)cc12 ZINC000158536816 495533397 /nfs/dbraw/zinc/53/33/97/495533397.db2.gz PILSOHUCQNSBNZ-UHFFFAOYSA-N -1 3 371.249 3.384 20 0 FGADHM O=C(NCCc1coc(-c2ccc(F)cc2)n1)NCc1ccc([O-])c(F)c1 ZINC000158576450 495541458 /nfs/dbraw/zinc/54/14/58/495541458.db2.gz RKKREILLGMJZIH-UHFFFAOYSA-N -1 3 373.359 3.367 20 0 FGADHM Cc1cnc([C@@H]([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)C2CC2)s1 ZINC000173486961 495554156 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/nfs/dbraw/zinc/87/92/74/495879274.db2.gz LDOUYGCYQOFJSS-MRXNPFEDSA-N -1 3 354.793 3.201 20 0 FGADHM O=C(CCCOc1ccc2c(c1)CCC2)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000160085694 495880622 /nfs/dbraw/zinc/88/06/22/495880622.db2.gz ZSSORIQFEGXCJH-UHFFFAOYSA-N -1 3 363.421 3.153 20 0 FGADHM O=C(CCCOc1ccc2c(c1)CCC2)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000160085694 495880623 /nfs/dbraw/zinc/88/06/23/495880623.db2.gz ZSSORIQFEGXCJH-UHFFFAOYSA-N -1 3 363.421 3.153 20 0 FGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(OCCN(C)C)cc2)c1 ZINC000180239353 495920829 /nfs/dbraw/zinc/92/08/29/495920829.db2.gz MMHDGLLOBOAJCA-UHFFFAOYSA-N -1 3 368.886 3.390 20 0 FGADHM C[C@H]1CCN(C(=O)c2cccc(N3CCCNC3=O)c2)c2c([O-])cccc21 ZINC000186284136 495928253 /nfs/dbraw/zinc/92/82/53/495928253.db2.gz JSJWJOOLMIUDSC-AWEZNQCLSA-N -1 3 365.433 3.466 20 0 FGADHM Cc1nc2cc(NC(=O)c3c[n-]c4c(C)cc(F)cc4c3=O)ccc2n1C ZINC000155355548 495931276 /nfs/dbraw/zinc/93/12/76/495931276.db2.gz MHJFCIHJAWDZBN-UHFFFAOYSA-N -1 3 364.380 3.423 20 0 FGADHM C[C@H]1CCN(C(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)c2c([O-])cccc21 ZINC000186301225 495936107 /nfs/dbraw/zinc/93/61/07/495936107.db2.gz HZJKNYHCIQBHFK-XHDPSFHLSA-N -1 3 354.381 3.498 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2cncc(Cl)c2Cl)cc1OC ZINC000180286321 495937767 /nfs/dbraw/zinc/93/77/67/495937767.db2.gz GKXHGPGFHNHBQR-UHFFFAOYSA-N -1 3 363.222 3.206 20 0 FGADHM C[C@H]1CCN(C(=O)C[C@@H](NC(N)=O)c2cccs2)c2c([O-])cccc21 ZINC000186314031 495942637 /nfs/dbraw/zinc/94/26/37/495942637.db2.gz JIWSHEAHYQRSTH-WCQYABFASA-N -1 3 359.451 3.094 20 0 FGADHM Cc1ccc(C(=O)NCC(=O)N2CC[C@H](C)c3cccc([O-])c32)cc1C ZINC000186334220 495953564 /nfs/dbraw/zinc/95/35/64/495953564.db2.gz YOQCNVCUMTVUFL-AWEZNQCLSA-N -1 3 352.434 3.279 20 0 FGADHM CCCS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc3c(C)n[nH]c3c2)cc1 ZINC000180334333 495955858 /nfs/dbraw/zinc/95/58/58/495955858.db2.gz CKMYAUFMLWMABX-UHFFFAOYSA-N -1 3 372.450 3.275 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CC[C@H](C)C[C@@H]2C)c1 ZINC000186344480 495957392 /nfs/dbraw/zinc/95/73/92/495957392.db2.gz BYLDBEYRNYTCDS-NVGCLXPQSA-N -1 3 371.437 3.495 20 0 FGADHM O=S(=O)([N-]CC1CCC1)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000186354042 495962338 /nfs/dbraw/zinc/96/23/38/495962338.db2.gz RIQLSSFTGLKGCO-OAHLLOKOSA-N -1 3 373.902 3.366 20 0 FGADHM CCC[C@H]1C[C@H](C(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)CCO1 ZINC000183422751 495976898 /nfs/dbraw/zinc/97/68/98/495976898.db2.gz SDAKUPKIHQCLPH-WBVHZDCISA-N -1 3 355.438 3.279 20 0 FGADHM O=C(NC[C@H]1CCCN1Cc1ccccc1)c1cc(F)c(F)c([O-])c1F ZINC000186388035 495977243 /nfs/dbraw/zinc/97/72/43/495977243.db2.gz ZGSCDVKIXHQTLM-CYBMUJFWSA-N -1 3 364.367 3.204 20 0 FGADHM CC(=O)Nc1ccc(C)c(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)c1 ZINC000155512635 495979126 /nfs/dbraw/zinc/97/91/26/495979126.db2.gz DRTPKQZTWMDRSE-UHFFFAOYSA-N -1 3 367.380 3.495 20 0 FGADHM O=S(=O)([N-][C@H](c1nccs1)c1ccccc1)c1ccc(F)c(F)c1 ZINC000171713670 496001592 /nfs/dbraw/zinc/00/15/92/496001592.db2.gz AJZLSKBSGPZCKM-HNNXBMFYSA-N -1 3 366.414 3.489 20 0 FGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(NC(=O)CCc2ccoc2)ccc1F ZINC000177295101 496008734 /nfs/dbraw/zinc/00/87/34/496008734.db2.gz ODTRODZNHOEIBQ-UHFFFAOYSA-N -1 3 368.430 3.067 20 0 FGADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N(C)C3CCCC3)cs2)c1 ZINC000183543077 496024523 /nfs/dbraw/zinc/02/45/23/496024523.db2.gz XZTFUSVXHQFIAD-UHFFFAOYSA-N -1 3 373.478 3.353 20 0 FGADHM O=C(Nc1ccc(F)cc1OCC(F)(F)F)c1cccc2nn[n-]c21 ZINC000183619395 496051003 /nfs/dbraw/zinc/05/10/03/496051003.db2.gz PLUOZAZHCROSPG-UHFFFAOYSA-N -1 3 354.263 3.290 20 0 FGADHM O=C(Nc1ccc(F)cc1OCC(F)(F)F)c1cccc2[n-]nnc21 ZINC000183619395 496051009 /nfs/dbraw/zinc/05/10/09/496051009.db2.gz PLUOZAZHCROSPG-UHFFFAOYSA-N -1 3 354.263 3.290 20 0 FGADHM O=C(Nc1ccc(F)cc1OCC(F)(F)F)c1cccc2n[n-]nc21 ZINC000183619395 496051015 /nfs/dbraw/zinc/05/10/15/496051015.db2.gz PLUOZAZHCROSPG-UHFFFAOYSA-N -1 3 354.263 3.290 20 0 FGADHM Cc1c(C[S@@](C)=O)cccc1NC(=O)Cc1ccc([O-])cc1Cl ZINC000152145732 496060512 /nfs/dbraw/zinc/06/05/12/496060512.db2.gz WAZCBTXUFWJQRC-QHCPKHFHSA-N -1 3 351.855 3.414 20 0 FGADHM Cc1nc(C)c(CCC(=O)N(C)CCc2cccc3ccccc32)c(=O)[n-]1 ZINC000155811117 496075884 /nfs/dbraw/zinc/07/58/84/496075884.db2.gz VGQLBAYTRVABKG-UHFFFAOYSA-N -1 3 363.461 3.174 20 0 FGADHM CCCN(C(=O)[C@@H]1[C@H](C(=O)[O-])C1(C)C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000580718331 505822305 /nfs/dbraw/zinc/82/23/05/505822305.db2.gz TZTVOIDHOPTBOG-CEXWTWQISA-N -1 3 372.509 3.246 20 0 FGADHM CCCN(CC1CCCCC1)C(=O)C(=O)[N-]c1sccc1C(=O)OC ZINC000174767982 496098200 /nfs/dbraw/zinc/09/82/00/496098200.db2.gz RIAMSSAVBRVLGE-UHFFFAOYSA-N -1 3 366.483 3.292 20 0 FGADHM O=C(CSc1nnc(NCc2ccco2)s1)Nc1ccccc1[O-] ZINC000180683745 496103832 /nfs/dbraw/zinc/10/38/32/496103832.db2.gz AQGWHCFVYOASSP-UHFFFAOYSA-N -1 3 362.436 3.180 20 0 FGADHM O=C(CSc1nncn1CCc1cccs1)Nc1ccccc1[O-] ZINC000180689604 496106435 /nfs/dbraw/zinc/10/64/35/496106435.db2.gz IQHLKXPZNLHFAK-UHFFFAOYSA-N -1 3 360.464 3.019 20 0 FGADHM C[C@@H](CC(=O)c1cccs1)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000152304494 496110794 /nfs/dbraw/zinc/11/07/94/496110794.db2.gz SJCROERVNSBRDX-VIFPVBQESA-N -1 3 361.847 3.480 20 0 FGADHM COc1cc(C(=O)[N-]c2cc(Cl)ccc2Sc2nccn2C)on1 ZINC000183783838 496116155 /nfs/dbraw/zinc/11/61/55/496116155.db2.gz CVXRBHUEJPJFIP-UHFFFAOYSA-N -1 3 364.814 3.474 20 0 FGADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]Cc1ccc(Cl)c(C)c1 ZINC000186716111 496119294 /nfs/dbraw/zinc/11/92/94/496119294.db2.gz NRTJQQQZTXMGQS-UHFFFAOYSA-N -1 3 371.817 3.053 20 0 FGADHM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H](C)c2ncc(C)s2)c1 ZINC000186721235 496121685 /nfs/dbraw/zinc/12/16/85/496121685.db2.gz JZEHEOFEKVIKTO-SECBINFHSA-N -1 3 372.899 3.390 20 0 FGADHM COC(=O)CCCc1nnc([N-]C(=O)c2cccc(Cl)c2F)s1 ZINC000155994535 496128563 /nfs/dbraw/zinc/12/85/63/496128563.db2.gz BEJXSRCLSSAGRG-UHFFFAOYSA-N -1 3 357.794 3.079 20 0 FGADHM COc1cc(Cl)c(S(=O)(=O)[N-]CC[C@@H]2CCCCO2)cc1Cl ZINC000180776585 496142199 /nfs/dbraw/zinc/14/21/99/496142199.db2.gz KSYWPTPRJLUNKP-JTQLQIEISA-N -1 3 368.282 3.240 20 0 FGADHM CCN1CCN(c2ccc(C(=O)Nc3cc(F)ccc3[O-])cc2F)CC1 ZINC000174873582 496142582 /nfs/dbraw/zinc/14/25/82/496142582.db2.gz BGBVPEHTWQUEOZ-UHFFFAOYSA-N -1 3 361.392 3.065 20 0 FGADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1scnc1C1CCCC1 ZINC000183910291 496157172 /nfs/dbraw/zinc/15/71/72/496157172.db2.gz FHTHHLHQHCZBEN-UHFFFAOYSA-N -1 3 354.439 3.157 20 0 FGADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1scnc1C1CCCC1 ZINC000183910291 496157179 /nfs/dbraw/zinc/15/71/79/496157179.db2.gz FHTHHLHQHCZBEN-UHFFFAOYSA-N -1 3 354.439 3.157 20 0 FGADHM O=C([N-]c1nnc(C2CCOCC2)s1)c1ccc(F)cc1OC(F)F ZINC000574665977 505827138 /nfs/dbraw/zinc/82/71/38/505827138.db2.gz QYLLQPJVXWQELM-UHFFFAOYSA-N -1 3 373.356 3.425 20 0 FGADHM O=C([N-]c1nc2ccc(F)cn2n1)c1csc(Cc2cccc(F)c2)n1 ZINC000180839817 496165972 /nfs/dbraw/zinc/16/59/72/496165972.db2.gz JUDQVHJJYVAXTJ-UHFFFAOYSA-N -1 3 371.372 3.307 20 0 FGADHM CCOC(=O)c1[nH]c(C)c(S(=O)(=O)[N-]c2cc(C)ccc2F)c1C ZINC000177719171 496170826 /nfs/dbraw/zinc/17/08/26/496170826.db2.gz HFWYXSGNPUOSAL-UHFFFAOYSA-N -1 3 354.403 3.057 20 0 FGADHM Cc1ccc(CNC(=O)c2ccc3n[n-]nc3c2)c(OCC(F)(F)F)c1 ZINC000156205405 496186180 /nfs/dbraw/zinc/18/61/80/496186180.db2.gz QYNSCWYGJOPNHT-UHFFFAOYSA-N -1 3 364.327 3.137 20 0 FGADHM CCC[C@H](NC(=O)[C@@H](C)S(=O)(=O)c1cccc([O-])c1)c1ccccc1 ZINC000183986299 496188960 /nfs/dbraw/zinc/18/89/60/496188960.db2.gz INCTTZVJNUTJGZ-KDOFPFPSSA-N -1 3 361.463 3.212 20 0 FGADHM COc1cc(C(=O)N2CC[C@@H](c3c(F)cccc3F)C2)cc(OC)c1[O-] ZINC000184028815 496210276 /nfs/dbraw/zinc/21/02/76/496210276.db2.gz ISIHGGDNJQRJQI-LLVKDONJSA-N -1 3 363.360 3.317 20 0 FGADHM CC(=O)[C@@H]1C[C@H](C(=O)NCc2ccc([O-])c(Br)c2)C1(C)C ZINC000156415624 496239405 /nfs/dbraw/zinc/23/94/05/496239405.db2.gz CCDNELBTCROXRM-NWDGAFQWSA-N -1 3 354.244 3.022 20 0 FGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)[C@@H](C)Oc1ccccc1Cl ZINC000181014237 496241442 /nfs/dbraw/zinc/24/14/42/496241442.db2.gz XZLSTMUZYQCZCX-SNVBAGLBSA-N -1 3 366.801 3.473 20 0 FGADHM CC(C)Cc1ccc(CCC(=O)NCCNC(=O)c2ccc([O-])cc2)cc1 ZINC000161850682 496249028 /nfs/dbraw/zinc/24/90/28/496249028.db2.gz HRPUBLQIUSUTCG-UHFFFAOYSA-N -1 3 368.477 3.070 20 0 FGADHM COc1cccc([C@@H](CNC(=O)c2ccc([O-])cc2F)N2CCCC2)c1 ZINC000181039590 496249213 /nfs/dbraw/zinc/24/92/13/496249213.db2.gz NVAKWLSTKZCJPO-LJQANCHMSA-N -1 3 358.413 3.107 20 0 FGADHM CCCC[C@@H]([N-]S(=O)(=O)c1ccc(CCNC(C)=O)s1)C1CCC1 ZINC000152778924 496254909 /nfs/dbraw/zinc/25/49/09/496254909.db2.gz LCSGZILBLLWVRK-MRXNPFEDSA-N -1 3 372.556 3.064 20 0 FGADHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N(CC)C1CCCCC1 ZINC000161900194 496259107 /nfs/dbraw/zinc/25/91/07/496259107.db2.gz FGNBXVCZJWZIAK-UHFFFAOYSA-N -1 3 366.483 3.353 20 0 FGADHM CC(C)[C@H](C(=O)NCc1ccc([O-])c(Br)c1)N1CCCCC1 ZINC000156527184 496269356 /nfs/dbraw/zinc/26/93/56/496269356.db2.gz FMVVBVLCSPRTGV-MRXNPFEDSA-N -1 3 369.303 3.281 20 0 FGADHM CCCC(O)(CCC)CC(=O)NCc1ccc([O-])c(Br)c1 ZINC000156551569 496277171 /nfs/dbraw/zinc/27/71/71/496277171.db2.gz COVLITQJOJLQGK-UHFFFAOYSA-N -1 3 358.276 3.492 20 0 FGADHM O=S(=O)([N-][C@H]1C[C@H]1c1ccccc1)c1ccc(Br)cc1F ZINC000162022171 496281808 /nfs/dbraw/zinc/28/18/08/496281808.db2.gz SMAUKJMDMISHHS-JSGCOSHPSA-N -1 3 370.243 3.423 20 0 FGADHM Cc1c(NC(=O)[C@@H]2CC[C@@H](C(F)(F)F)[N-]C2=O)cccc1C(F)(F)F ZINC000178007001 496284547 /nfs/dbraw/zinc/28/45/47/496284547.db2.gz XHAGXIYCAQFVSB-KWQFWETISA-N -1 3 368.277 3.409 20 0 FGADHM COC[C@]1(C(=O)[O-])CCCN([C@H](C)c2cccc(Br)c2)C1 ZINC000574697096 505834935 /nfs/dbraw/zinc/83/49/35/505834935.db2.gz JPRSQZDENLNZPL-WBMJQRKESA-N -1 3 356.260 3.323 20 0 FGADHM CC[C@H](Cc1ccccc1)N(CC)C(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000162096995 496295273 /nfs/dbraw/zinc/29/52/73/496295273.db2.gz KMSXAHRHWJZYIX-GOSISDBHSA-N -1 3 355.482 3.189 20 0 FGADHM CCC1(NC(=O)Cc2csc(NC(=O)c3cccc([O-])c3)n2)CCC1 ZINC000181188542 496304629 /nfs/dbraw/zinc/30/46/29/496304629.db2.gz VCEGJDMMAAMKIH-UHFFFAOYSA-N -1 3 359.451 3.092 20 0 FGADHM CC(C)[C@H]([N-]S(=O)(=O)/C=C/c1ccc(F)cc1)c1nc(C2CC2)no1 ZINC000175265416 496314247 /nfs/dbraw/zinc/31/42/47/496314247.db2.gz SUFXTADHUBURRK-FEAKQIBJSA-N -1 3 365.430 3.374 20 0 FGADHM Cc1cccc(S(=O)(=O)[N-][C@@H](C)c2ccc3c(c2)CCC(=O)N3)c1F ZINC000181222479 496317855 /nfs/dbraw/zinc/31/78/55/496317855.db2.gz KERIIDRWPHBPQV-LBPRGKRZSA-N -1 3 362.426 3.058 20 0 FGADHM CCc1ccc([O-])c(C(=O)Nc2ccc(CN3C(=O)CCCC3=O)cc2)c1 ZINC000184282853 496318431 /nfs/dbraw/zinc/31/84/31/496318431.db2.gz XEVUSDOZFVTTEI-UHFFFAOYSA-N -1 3 366.417 3.246 20 0 FGADHM Cc1cccc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)c1Br ZINC000162227729 496318522 /nfs/dbraw/zinc/31/85/22/496318522.db2.gz RHWDMBNTTUDZKU-UHFFFAOYSA-N -1 3 358.199 3.190 20 0 FGADHM Cc1cccc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)c1Br ZINC000162227729 496318525 /nfs/dbraw/zinc/31/85/25/496318525.db2.gz RHWDMBNTTUDZKU-UHFFFAOYSA-N -1 3 358.199 3.190 20 0 FGADHM CC1(C)CCC[C@H](CC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)C1 ZINC000156806187 496337931 /nfs/dbraw/zinc/33/79/31/496337931.db2.gz IENIXSUBFULEMB-MRXNPFEDSA-N -1 3 358.482 3.283 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2CN(C)C)c(C)c1F ZINC000181320379 496353148 /nfs/dbraw/zinc/35/31/48/496353148.db2.gz MUZFZZRTYJBBQH-UHFFFAOYSA-N -1 3 366.458 3.314 20 0 FGADHM CSCc1cc(F)ccc1CNC(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000153115932 496357873 /nfs/dbraw/zinc/35/78/73/496357873.db2.gz CQURAKMXTFRYSR-UHFFFAOYSA-N -1 3 362.426 3.283 20 0 FGADHM CCO[C@@H](C(=O)Nc1nc2cccc(C(=O)OC)c2[n-]1)c1ccccc1 ZINC000162473224 496358642 /nfs/dbraw/zinc/35/86/42/496358642.db2.gz MNHFZIRCHXLMGZ-MRXNPFEDSA-N -1 3 353.378 3.066 20 0 FGADHM CCO[C@@H](C(=O)Nc1nc2c(cccc2C(=O)OC)[n-]1)c1ccccc1 ZINC000162473224 496358644 /nfs/dbraw/zinc/35/86/44/496358644.db2.gz MNHFZIRCHXLMGZ-MRXNPFEDSA-N -1 3 353.378 3.066 20 0 FGADHM Cc1cc(NC(=O)c2cn[n-]c2-c2ccsc2)ccc1C(=O)N(C)C ZINC000187250250 496360099 /nfs/dbraw/zinc/36/00/99/496360099.db2.gz CHIGSZSSAHXGSS-UHFFFAOYSA-N -1 3 354.435 3.401 20 0 FGADHM Cc1cc(NC(=O)c2c[n-]nc2-c2ccsc2)ccc1C(=O)N(C)C ZINC000187250250 496360107 /nfs/dbraw/zinc/36/01/07/496360107.db2.gz CHIGSZSSAHXGSS-UHFFFAOYSA-N -1 3 354.435 3.401 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@H]3CCCCO3)cc2)cc1 ZINC000153134544 496363871 /nfs/dbraw/zinc/36/38/71/496363871.db2.gz DIYUSASBJFKLCK-GOSISDBHSA-N -1 3 374.462 3.303 20 0 FGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1C[C@H](C)CCC[C@@H]1C ZINC000172615248 496363977 /nfs/dbraw/zinc/36/39/77/496363977.db2.gz ASRKSWMPWVMTFW-CABCVRRESA-N -1 3 368.481 3.110 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)[C@H]3C[C@H]3c3sccc3C)[n-]c21 ZINC000162525904 496366915 /nfs/dbraw/zinc/36/69/15/496366915.db2.gz QFEDTKSBFVLFOR-NEPJUHHUSA-N -1 3 355.419 3.462 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@H]3C[C@H]3c3sccc3C)nc21 ZINC000162525904 496366917 /nfs/dbraw/zinc/36/69/17/496366917.db2.gz QFEDTKSBFVLFOR-NEPJUHHUSA-N -1 3 355.419 3.462 20 0 FGADHM Cc1cccc(S(=O)(=O)NCc2ccc([O-])c(Br)c2)c1F ZINC000181380832 496373580 /nfs/dbraw/zinc/37/35/80/496373580.db2.gz ASWMKMSNBBFJDR-UHFFFAOYSA-N -1 3 374.231 3.081 20 0 FGADHM C[C@H](CS(=O)(=O)[N-]c1cc2c(cc1F)NC(=O)CC2)c1ccccc1 ZINC000156995552 496381524 /nfs/dbraw/zinc/38/15/24/496381524.db2.gz WOOVCOHLIXRYIS-GFCCVEGCSA-N -1 3 362.426 3.256 20 0 FGADHM COc1cccc(/C=C/C(=O)[N-]OCCC(F)(F)F)c1OC(F)F ZINC000162616608 496383840 /nfs/dbraw/zinc/38/38/40/496383840.db2.gz MKQRHPFSVAHMDP-AATRIKPKSA-N -1 3 355.259 3.310 20 0 FGADHM Cc1nn(-c2ccccc2)cc1C[N-]S(=O)(=O)c1cccc(C)c1F ZINC000181431912 496392199 /nfs/dbraw/zinc/39/21/99/496392199.db2.gz FRDSGALMAIPFOH-UHFFFAOYSA-N -1 3 359.426 3.107 20 0 FGADHM Cc1cn(-c2ccccc2)nc1C(=O)Nc1n[n-]c(-c2ccccc2F)n1 ZINC000184470367 496398679 /nfs/dbraw/zinc/39/86/79/496398679.db2.gz WPTSNXXGEIOTKJ-UHFFFAOYSA-N -1 3 362.368 3.357 20 0 FGADHM CC1(C)[C@H]([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)[C@@H]2CCO[C@@H]21 ZINC000153346223 496426297 /nfs/dbraw/zinc/42/62/97/496426297.db2.gz WBCKYIADXRBFQV-BIMULSAOSA-N -1 3 350.267 3.085 20 0 FGADHM Cc1nn(C)c(C)c1OCC(=O)Nc1cc(Cc2ccccc2)ccc1[O-] ZINC000163067248 496459741 /nfs/dbraw/zinc/45/97/41/496459741.db2.gz SICPBGXEVISXTP-UHFFFAOYSA-N -1 3 365.433 3.351 20 0 FGADHM COc1ccccc1CN(C)C(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000178445968 496460369 /nfs/dbraw/zinc/46/03/69/496460369.db2.gz GSEKHHJUNAUHIU-UHFFFAOYSA-N -1 3 354.381 3.256 20 0 FGADHM CCC[C@@H](NC(=O)c1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1)c1ccccc1 ZINC000178449708 496461621 /nfs/dbraw/zinc/46/16/21/496461621.db2.gz KZJGTVOOGBUYMO-DYESRHJHSA-N -1 3 365.433 3.012 20 0 FGADHM C[C@H](NC(=O)c1cccc2nn[n-]c21)c1ccc(OCC(F)(F)F)cc1 ZINC000187486070 496461920 /nfs/dbraw/zinc/46/19/20/496461920.db2.gz KQRZXILQYSWOPF-JTQLQIEISA-N -1 3 364.327 3.390 20 0 FGADHM C[C@H](NC(=O)c1cccc2[n-]nnc21)c1ccc(OCC(F)(F)F)cc1 ZINC000187486070 496461922 /nfs/dbraw/zinc/46/19/22/496461922.db2.gz KQRZXILQYSWOPF-JTQLQIEISA-N -1 3 364.327 3.390 20 0 FGADHM C[C@H](NC(=O)c1cccc2n[n-]nc21)c1ccc(OCC(F)(F)F)cc1 ZINC000187486070 496461929 /nfs/dbraw/zinc/46/19/29/496461929.db2.gz KQRZXILQYSWOPF-JTQLQIEISA-N -1 3 364.327 3.390 20 0 FGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)c1cc(C)oc1C ZINC000178525739 496487006 /nfs/dbraw/zinc/48/70/06/496487006.db2.gz OLWOADINEPJHHM-JTQLQIEISA-N -1 3 371.842 3.376 20 0 FGADHM CC(C)OCCOCc1cccc(NC(=O)c2cccc3nn[n-]c32)c1 ZINC000187588391 496501792 /nfs/dbraw/zinc/50/17/92/496501792.db2.gz AEXPUPGQEPYWQF-UHFFFAOYSA-N -1 3 354.410 3.152 20 0 FGADHM CC(C)OCCOCc1cccc(NC(=O)c2cccc3[n-]nnc32)c1 ZINC000187588391 496501797 /nfs/dbraw/zinc/50/17/97/496501797.db2.gz AEXPUPGQEPYWQF-UHFFFAOYSA-N -1 3 354.410 3.152 20 0 FGADHM CC(C)OCCOCc1cccc(NC(=O)c2cccc3n[n-]nc32)c1 ZINC000187588391 496501802 /nfs/dbraw/zinc/50/18/02/496501802.db2.gz AEXPUPGQEPYWQF-UHFFFAOYSA-N -1 3 354.410 3.152 20 0 FGADHM CN(C)c1ccc(Br)c(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000153590416 496508497 /nfs/dbraw/zinc/50/84/97/496508497.db2.gz GBYWEMZRRFTYIG-UHFFFAOYSA-N -1 3 373.247 3.455 20 0 FGADHM CCOC(=O)Cc1nnc([N-]C(=O)c2cc3cc(F)ccc3s2)s1 ZINC000178611670 496515725 /nfs/dbraw/zinc/51/57/25/496515725.db2.gz GPLZSPGZJCHLAP-UHFFFAOYSA-N -1 3 365.411 3.250 20 0 FGADHM COc1ccc(Cl)cc1NC(=O)CCNC(=O)c1cc(C)ccc1[O-] ZINC000175734269 496521285 /nfs/dbraw/zinc/52/12/85/496521285.db2.gz ZOXZXRYQPHZREE-UHFFFAOYSA-N -1 3 362.813 3.121 20 0 FGADHM CCCN1C(=O)CCc2cc(NC(=O)[N-]OCCC(F)(F)F)ccc21 ZINC000157725386 496539922 /nfs/dbraw/zinc/53/99/22/496539922.db2.gz CRBYLWKZUZBRMM-UHFFFAOYSA-N -1 3 359.348 3.381 20 0 FGADHM CN(CCOc1cccc(Cl)c1)C(=O)NCc1ccc([O-])c(F)c1 ZINC000163652455 496541749 /nfs/dbraw/zinc/54/17/49/496541749.db2.gz ZIPJPJVMNZLEMQ-UHFFFAOYSA-N -1 3 352.793 3.405 20 0 FGADHM COc1cc(C(=O)NC[C@H](c2ccc(C)cc2)N(C)C)cc(Cl)c1[O-] ZINC000153679133 496542805 /nfs/dbraw/zinc/54/28/05/496542805.db2.gz UZJVEXDOZXFIJO-MRXNPFEDSA-N -1 3 362.857 3.395 20 0 FGADHM CCCn1nc(C)c(C(=O)Nc2cccc(-c3nc(C)cc(=O)[n-]3)c2)c1C ZINC000163665279 496544788 /nfs/dbraw/zinc/54/47/88/496544788.db2.gz XSPLPHBJIZZHTK-UHFFFAOYSA-N -1 3 365.437 3.221 20 0 FGADHM Cc1cccc(NC(=O)NCC(=O)Nc2ccc([O-])c(C(F)(F)F)c2)c1 ZINC000153700238 496550126 /nfs/dbraw/zinc/55/01/26/496550126.db2.gz DITHWMGYEWQIKR-UHFFFAOYSA-N -1 3 367.327 3.480 20 0 FGADHM CCc1nc([C@H](C)[N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)cs1 ZINC000173140053 496566388 /nfs/dbraw/zinc/56/63/88/496566388.db2.gz MFCRQNRJQCTRDI-ZETCQYMHSA-N -1 3 350.387 3.162 20 0 FGADHM Cc1cc(Cl)cc(NC(=O)c2nn(-c3ccccc3)c(C)cc2=O)c1[O-] ZINC000175839844 496567549 /nfs/dbraw/zinc/56/75/49/496567549.db2.gz HTYSEEVEFLMDIR-UHFFFAOYSA-N -1 3 369.808 3.461 20 0 FGADHM CS(=O)(=O)CC1(CC(=O)Nc2cc(Cc3ccccc3)ccc2[O-])CC1 ZINC000175848268 496572481 /nfs/dbraw/zinc/57/24/81/496572481.db2.gz GKUFYWKANJUNRG-UHFFFAOYSA-N -1 3 373.474 3.136 20 0 FGADHM Cc1ccc(NC(=O)CCC(=O)Nc2nnc(CC(C)C)s2)c([O-])c1 ZINC000153774690 496575958 /nfs/dbraw/zinc/57/59/58/496575958.db2.gz IWYTUXUIIFXJBF-UHFFFAOYSA-N -1 3 362.455 3.108 20 0 FGADHM CO[C@H](CNC(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1)C(C)(C)C ZINC000187807768 496579622 /nfs/dbraw/zinc/57/96/22/496579622.db2.gz SHSKQHDLVIJWTB-GOSISDBHSA-N -1 3 355.434 3.414 20 0 FGADHM CS[C@H](C)C[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000157953869 496593393 /nfs/dbraw/zinc/59/33/93/496593393.db2.gz NLJWGSBDLWAUMH-SSDOTTSWSA-N -1 3 358.710 3.132 20 0 FGADHM O=S(=O)([N-]c1cccc(CN2CCCCC2)c1)c1ccc2c(c1)OCO2 ZINC000153851779 496601192 /nfs/dbraw/zinc/60/11/92/496601192.db2.gz BYVHNMCTTFRPOR-UHFFFAOYSA-N -1 3 374.462 3.202 20 0 FGADHM Cn1ncc2c1ncc(C(=O)Nc1scnc1-c1ccccc1)c2[O-] ZINC000181927024 496602372 /nfs/dbraw/zinc/60/23/72/496602372.db2.gz XBSVPUIDACHZEJ-UHFFFAOYSA-N -1 3 351.391 3.050 20 0 FGADHM C[C@@H](NC(=O)c1c[n-]c2ccccc2c1=O)c1nc(C2CCCCC2)no1 ZINC000173237240 496607001 /nfs/dbraw/zinc/60/70/01/496607001.db2.gz IMCZSAMZAOFUBZ-GFCCVEGCSA-N -1 3 366.421 3.450 20 0 FGADHM O=C1CCc2cc([N-]S(=O)(=O)c3cccc4ncccc43)c(F)cc2N1 ZINC000187933862 496623810 /nfs/dbraw/zinc/62/38/10/496623810.db2.gz ZLNCQGRJRBFNIN-UHFFFAOYSA-N -1 3 371.393 3.059 20 0 FGADHM O=C([N-]c1n[nH]c(-c2ccccc2F)n1)c1cnc(-c2ccncc2)s1 ZINC000175971731 496624217 /nfs/dbraw/zinc/62/42/17/496624217.db2.gz INIUYAPXPOYEKF-UHFFFAOYSA-N -1 3 366.381 3.382 20 0 FGADHM CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)CN2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000164676683 496627267 /nfs/dbraw/zinc/62/72/67/496627267.db2.gz SKQDCPYWZLOSRV-HKUYNNGSSA-N -1 3 372.509 3.444 20 0 FGADHM C[C@H]1CC[C@@](CO)(N(C)Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)C1 ZINC000188002010 496647284 /nfs/dbraw/zinc/64/72/84/496647284.db2.gz PRFUADKAMWUEBF-HXPMCKFVSA-N -1 3 373.478 3.228 20 0 FGADHM Cc1cccc2c(=O)c(C(=O)N(C)[C@@H](CCO)c3ccccc3)c[n-]c12 ZINC000165456711 496658863 /nfs/dbraw/zinc/65/88/63/496658863.db2.gz KJAYMQXQGLPRFA-SFHVURJKSA-N -1 3 350.418 3.445 20 0 FGADHM COC(=O)c1cc([N-]C(=O)c2csc([C@@H]3CCCO3)n2)c(F)cc1F ZINC000165633402 496664157 /nfs/dbraw/zinc/66/41/57/496664157.db2.gz MMWIQCDYWGGUHR-ZDUSSCGKSA-N -1 3 368.361 3.312 20 0 FGADHM Cc1nc(-c2ccccc2)sc1NC(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000182091239 496666185 /nfs/dbraw/zinc/66/61/85/496666185.db2.gz KSZVQYAOYJQDJU-UHFFFAOYSA-N -1 3 368.462 3.390 20 0 FGADHM COC(=O)C(C)(C)[C@H]1CCCN(C(=O)c2c[n-]c3c(C)cccc3c2=O)C1 ZINC000165699139 496666422 /nfs/dbraw/zinc/66/64/22/496666422.db2.gz SSOYYPSCMGUAFD-AWEZNQCLSA-N -1 3 370.449 3.300 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)[C@@H]3C[C@@H]3c3cccc(OC)c3)[n-]c21 ZINC000158450321 496704568 /nfs/dbraw/zinc/70/45/68/496704568.db2.gz CUNWWUIKJRNYMC-HUUCEWRRSA-N -1 3 365.389 3.100 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@@H]3C[C@@H]3c3cccc(OC)c3)nc21 ZINC000158450321 496704570 /nfs/dbraw/zinc/70/45/70/496704570.db2.gz CUNWWUIKJRNYMC-HUUCEWRRSA-N -1 3 365.389 3.100 20 0 FGADHM O=C(NCc1nnc(C2CC2)n1C1CC1)c1ccc2c(c1[O-])CCCC2 ZINC000185233447 496712847 /nfs/dbraw/zinc/71/28/47/496712847.db2.gz MUYRXGNHLPJIHE-UHFFFAOYSA-N -1 3 352.438 3.005 20 0 FGADHM CCOC(=O)Cc1nnc([N-]C(=O)c2scnc2C2CCCC2)s1 ZINC000185247446 496716995 /nfs/dbraw/zinc/71/69/95/496716995.db2.gz DOQWXCUZECCWPP-UHFFFAOYSA-N -1 3 366.468 3.010 20 0 FGADHM O=C(Nc1cccc(Cl)c1)N1CCCN(C(=O)c2cccc([O-])c2)CC1 ZINC000182258169 496721901 /nfs/dbraw/zinc/72/19/01/496721901.db2.gz ZZVHYPRUKPOISB-UHFFFAOYSA-N -1 3 373.840 3.426 20 0 FGADHM CCc1ccc(C(=O)N2CCC[C@H](CNC(=O)c3ccccc3)C2)c([O-])c1 ZINC000188249147 496722910 /nfs/dbraw/zinc/72/29/10/496722910.db2.gz SYWNGDXPFXCYOC-QGZVFWFLSA-N -1 3 366.461 3.237 20 0 FGADHM COc1ccc(CN[C@H](Cc2cc(C)cc(C)c2)C(=O)[O-])c(OC)c1OC ZINC000277339083 496740719 /nfs/dbraw/zinc/74/07/19/496740719.db2.gz OTDFJQAOVYHHFI-QGZVFWFLSA-N -1 3 373.449 3.115 20 0 FGADHM COc1cc(C(=O)Nc2cnn(-c3ccc(C)cc3C)c2)cc(OC)c1[O-] ZINC000191406835 496752395 /nfs/dbraw/zinc/75/23/95/496752395.db2.gz KQLOTHZETRDQQW-UHFFFAOYSA-N -1 3 367.405 3.464 20 0 FGADHM Cc1ccc(C[C@H](CNCc2cccc3c2OCCCO3)C(=O)[O-])cc1 ZINC000277423518 496769161 /nfs/dbraw/zinc/76/91/61/496769161.db2.gz SZNNSZKCTXULEX-GOSISDBHSA-N -1 3 355.434 3.189 20 0 FGADHM CC(C)CN1Cc2cccc(NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)c2C1 ZINC000277474531 496784367 /nfs/dbraw/zinc/78/43/67/496784367.db2.gz ZLYYRGPNJKTUHY-UHFFFAOYSA-N -1 3 371.403 3.054 20 0 FGADHM Cc1cc(CN[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])ccc1-n1cncn1 ZINC000277478374 496786406 /nfs/dbraw/zinc/78/64/06/496786406.db2.gz WLXCNQLERQPKHV-HNAYVOBHSA-N -1 3 350.422 3.127 20 0 FGADHM CC(C)c1cccc(O[C@@H](C)C(=O)[N-]c2ncnn2-c2ccccc2)c1 ZINC000580915047 505866771 /nfs/dbraw/zinc/86/67/71/505866771.db2.gz JCRBCOSRAMACEH-HNNXBMFYSA-N -1 3 350.422 3.219 20 0 FGADHM O=C([O-])[C@@H](CSCCOc1ccccc1)NCc1cccc(F)c1F ZINC000277519378 496800503 /nfs/dbraw/zinc/80/05/03/496800503.db2.gz YRDABDACOXIPMA-MRXNPFEDSA-N -1 3 367.417 3.320 20 0 FGADHM Cc1cc([N-]S(=O)(=O)[C@@H]2C[C@H]2c2ccccc2)ccc1C(=O)NC(C)C ZINC000578119746 505867028 /nfs/dbraw/zinc/86/70/28/505867028.db2.gz ZPYJQDYOIDSICO-RBUKOAKNSA-N -1 3 372.490 3.431 20 0 FGADHM Cc1cc(C(=O)N2CCC[C@H]2c2nc3ccccc3n2C(C)C)[n-]c(=O)n1 ZINC000268884007 496813685 /nfs/dbraw/zinc/81/36/85/496813685.db2.gz RPUHXEVYOSXWOC-KRWDZBQOSA-N -1 3 365.437 3.399 20 0 FGADHM O=C(c1ccc2c(c1[O-])CCCC2)N1CC[C@H](OCc2ccccn2)C1 ZINC000273472500 496815166 /nfs/dbraw/zinc/81/51/66/496815166.db2.gz XXOKFJYWUPJGRK-KRWDZBQOSA-N -1 3 352.434 3.097 20 0 FGADHM O=S(=O)([N-]CCc1nc2c(s1)CCCC2)c1ccc(F)cc1Cl ZINC000195116698 496825646 /nfs/dbraw/zinc/82/56/46/496825646.db2.gz JMQXVLZTDUYFMV-UHFFFAOYSA-N -1 3 374.890 3.335 20 0 FGADHM COc1ccc(C(=O)NC[C@@H]2CCCN(C)[C@@H]2c2cccs2)c([O-])c1 ZINC000247299003 496828114 /nfs/dbraw/zinc/82/81/14/496828114.db2.gz GVTCXGAXWKHQRW-UGSOOPFHSA-N -1 3 360.479 3.275 20 0 FGADHM O=S(=O)([N-][C@@H]1CCO[C@H](c2ccc(F)cc2)C1)c1ccccc1F ZINC000273518644 496828607 /nfs/dbraw/zinc/82/86/07/496828607.db2.gz NMISIWTWEBNKBJ-ZBFHGGJFSA-N -1 3 353.390 3.163 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-][C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273525818 496830285 /nfs/dbraw/zinc/83/02/85/496830285.db2.gz PLHQSEIYJGSZQG-HIFRSBDPSA-N -1 3 371.455 3.094 20 0 FGADHM O=S(=O)([N-][C@H]1CCO[C@H](c2ccc(F)cc2)C1)c1cncc(Cl)c1 ZINC000273561914 496840596 /nfs/dbraw/zinc/84/05/96/496840596.db2.gz YJSKWUCAELPCNI-HOCLYGCPSA-N -1 3 370.833 3.073 20 0 FGADHM O=S(=O)([N-][C@H]1CCOC2(CCC2)C1)c1c(Cl)cccc1Cl ZINC000268992177 496843304 /nfs/dbraw/zinc/84/33/04/496843304.db2.gz SICPIJLBBGMAKO-JTQLQIEISA-N -1 3 350.267 3.373 20 0 FGADHM CCCSCC(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000264230395 496846006 /nfs/dbraw/zinc/84/60/06/496846006.db2.gz IGQAGRNHGBPNFS-UHFFFAOYSA-N -1 3 370.418 3.159 20 0 FGADHM CCOC(=O)c1nnc(C2CCN(C(=O)c3ccc(C(C)C)cc3)CC2)[n-]1 ZINC000277696858 496857023 /nfs/dbraw/zinc/85/70/23/496857023.db2.gz LRKLIANOZFMYHU-UHFFFAOYSA-N -1 3 370.453 3.125 20 0 FGADHM CCOC(=O)c1nc(C2CCN(C(=O)c3ccc(C(C)C)cc3)CC2)n[n-]1 ZINC000277696858 496857028 /nfs/dbraw/zinc/85/70/28/496857028.db2.gz LRKLIANOZFMYHU-UHFFFAOYSA-N -1 3 370.453 3.125 20 0 FGADHM O=C(Nc1cc(Br)ccc1[O-])c1c[nH]c(=O)c2ccccc12 ZINC000188650366 496866059 /nfs/dbraw/zinc/86/60/59/496866059.db2.gz FHSBVBUQISWKJI-UHFFFAOYSA-N -1 3 359.179 3.249 20 0 FGADHM O=C(Nc1ccc(-n2cncn2)c(F)c1)c1cc([O-])ccc1C(F)(F)F ZINC000188682412 496874911 /nfs/dbraw/zinc/87/49/11/496874911.db2.gz UYZUQJPMAWOIDP-UHFFFAOYSA-N -1 3 366.274 3.383 20 0 FGADHM O=C(c1ccc(O)cc1[O-])N1CCN(Cc2cccc3ccccc32)CC1 ZINC000195304029 496882632 /nfs/dbraw/zinc/88/26/32/496882632.db2.gz SMOMXBAMODMBTO-UHFFFAOYSA-N -1 3 362.429 3.209 20 0 FGADHM COc1ccc(SCCC(=O)NCc2ccc([O-])c(F)c2)cc1OC ZINC000269216566 496896933 /nfs/dbraw/zinc/89/69/33/496896933.db2.gz YLZBHALKOPZJDX-UHFFFAOYSA-N -1 3 365.426 3.347 20 0 FGADHM CCOc1cc(CNC(C)(C)c2cnn(C)c2)cc(Br)c1[O-] ZINC000580937993 505872540 /nfs/dbraw/zinc/87/25/40/505872540.db2.gz MKNHQBMBGSFOGX-UHFFFAOYSA-N -1 3 368.275 3.312 20 0 FGADHM O=S(=O)([N-]CCc1cc(Cl)ccc1Br)c1ccco1 ZINC000188777021 496906324 /nfs/dbraw/zinc/90/63/24/496906324.db2.gz ZQWQOXPPGYISGD-UHFFFAOYSA-N -1 3 364.648 3.217 20 0 FGADHM CCOC[C@@H]1CCCN(Cc2ccc(OC)c([O-])c2Br)C1 ZINC000273789840 496908734 /nfs/dbraw/zinc/90/87/34/496908734.db2.gz VAVUDZBLOWOSLV-GFCCVEGCSA-N -1 3 358.276 3.412 20 0 FGADHM Cc1noc(C)c1CNC(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000188792546 496910686 /nfs/dbraw/zinc/91/06/86/496910686.db2.gz LNTGYCCVMDJBBR-UHFFFAOYSA-N -1 3 350.374 3.158 20 0 FGADHM O=S(=O)([N-]Cc1cc2cc(Br)ccc2[nH]1)c1ccco1 ZINC000188836324 496924540 /nfs/dbraw/zinc/92/45/40/496924540.db2.gz MFPJXBLIELIVEM-UHFFFAOYSA-N -1 3 355.213 3.002 20 0 FGADHM CN1CCc2nc(NC(=O)c3cc([O-])ccc3C(F)(F)F)sc2C1 ZINC000188871518 496933898 /nfs/dbraw/zinc/93/38/98/496933898.db2.gz UTXFOCFVYIEIPA-UHFFFAOYSA-N -1 3 357.357 3.108 20 0 FGADHM COc1cc(-c2noc(CCCNC(=O)NC3CCCCC3)n2)ccc1[O-] ZINC000264597083 496938778 /nfs/dbraw/zinc/93/87/78/496938778.db2.gz KDWWMHNGHAWGMN-UHFFFAOYSA-N -1 3 374.441 3.015 20 0 FGADHM CCOc1cc(C(=O)N2CCC(c3cc(C)[nH]n3)CC2)cc(Cl)c1[O-] ZINC000273883791 496943952 /nfs/dbraw/zinc/94/39/52/496943952.db2.gz SXPHBRLRKRVQDQ-UHFFFAOYSA-N -1 3 363.845 3.496 20 0 FGADHM CCCCc1nc(C(=O)OCC)c(NC(=O)c2ccncc2Cl)[n-]1 ZINC000191962921 496944571 /nfs/dbraw/zinc/94/45/71/496944571.db2.gz YQTLKWWTEABMID-UHFFFAOYSA-N -1 3 350.806 3.230 20 0 FGADHM CCCCc1nc(NC(=O)c2ccncc2Cl)c(C(=O)OCC)[n-]1 ZINC000191962921 496944577 /nfs/dbraw/zinc/94/45/77/496944577.db2.gz YQTLKWWTEABMID-UHFFFAOYSA-N -1 3 350.806 3.230 20 0 FGADHM CC[C@H](C)C(=O)N1CCC[C@H](c2nc(-c3ccc([O-])c(OC)c3)no2)C1 ZINC000264629477 496947947 /nfs/dbraw/zinc/94/79/47/496947947.db2.gz SMRFJYBUOHJFOX-JSGCOSHPSA-N -1 3 359.426 3.203 20 0 FGADHM O=S(=O)([N-][C@H]1CCC[C@H]1CCO)c1cc(C(F)(F)F)ccc1Cl ZINC000188928774 496951008 /nfs/dbraw/zinc/95/10/08/496951008.db2.gz ZZOJBLZXXLQWEI-CABZTGNLSA-N -1 3 371.808 3.188 20 0 FGADHM CC(C)c1ccccc1S(=O)(=O)[N-]c1cc(S(C)(=O)=O)ccc1F ZINC000188937853 496952903 /nfs/dbraw/zinc/95/29/03/496952903.db2.gz ILDMLYRXPXDWEF-UHFFFAOYSA-N -1 3 371.455 3.153 20 0 FGADHM CCOC(=O)CSc1nnc([N-]C(=O)c2cnc(C(C)C)s2)s1 ZINC000269471170 496954809 /nfs/dbraw/zinc/95/48/09/496954809.db2.gz BLCSYXUXHJDANI-UHFFFAOYSA-N -1 3 372.497 3.026 20 0 FGADHM COc1cc(-c2noc([C@@H]3CCCN(C(=O)C(C)(C)C)C3)n2)ccc1[O-] ZINC000264660965 496956248 /nfs/dbraw/zinc/95/62/48/496956248.db2.gz ZKEYSZAHDGCHSD-CYBMUJFWSA-N -1 3 359.426 3.203 20 0 FGADHM CC(=O)N(C)CCc1noc(-c2cc(OCc3ccccc3)ccc2[O-])n1 ZINC000273959897 496973598 /nfs/dbraw/zinc/97/35/98/496973598.db2.gz ZVIDWEPWYVHDGD-UHFFFAOYSA-N -1 3 367.405 3.042 20 0 FGADHM CCCCS(=O)(=O)Cc1noc(-c2ccc3c(c2[O-])CCCC3)n1 ZINC000278040177 496982104 /nfs/dbraw/zinc/98/21/04/496982104.db2.gz SYNRJEHPMYISIJ-UHFFFAOYSA-N -1 3 350.440 3.036 20 0 FGADHM CC(C)c1ccc(CC2CCN(C(=O)C(=O)[N-]c3cnns3)CC2)cc1 ZINC000192072763 496986180 /nfs/dbraw/zinc/98/61/80/496986180.db2.gz NRAGNBZFVFTAGC-UHFFFAOYSA-N -1 3 372.494 3.081 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)c3oc(CC(C)C)nc3C)[n-]c21 ZINC000189040048 496988462 /nfs/dbraw/zinc/98/84/62/496988462.db2.gz CPHYHNZHUOEMTK-UHFFFAOYSA-N -1 3 356.382 3.097 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3oc(CC(C)C)nc3C)nc21 ZINC000189040048 496988466 /nfs/dbraw/zinc/98/84/66/496988466.db2.gz CPHYHNZHUOEMTK-UHFFFAOYSA-N -1 3 356.382 3.097 20 0 FGADHM CCOc1cc(-c2noc(C3CCN(C(=O)C(C)C)CC3)n2)ccc1[O-] ZINC000278088179 497000313 /nfs/dbraw/zinc/00/03/13/497000313.db2.gz OESYNTLAXWANKA-UHFFFAOYSA-N -1 3 359.426 3.203 20 0 FGADHM COc1ccccc1C[C@H]1CCCN1C(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000269943178 497028701 /nfs/dbraw/zinc/02/87/01/497028701.db2.gz NZNPWBQAHJZASS-MRXNPFEDSA-N -1 3 371.433 3.265 20 0 FGADHM Cc1csc([C@H]2COCCN2Cc2cc(=O)oc3c(C)c([O-])ccc23)n1 ZINC000189284452 497069477 /nfs/dbraw/zinc/06/94/77/497069477.db2.gz GCWZLMIXFQWPPY-OAHLLOKOSA-N -1 3 372.446 3.145 20 0 FGADHM COc1cc(C(=O)N[C@@H]2CCO[C@H](c3ccccc3)C2)cc(OC)c1[O-] ZINC000274327831 497071795 /nfs/dbraw/zinc/07/17/95/497071795.db2.gz ZAQWKIARCWPSSF-CVEARBPZSA-N -1 3 357.406 3.060 20 0 FGADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CC[C@H](OCc2ccncc2)C1 ZINC000265216474 497073239 /nfs/dbraw/zinc/07/32/39/497073239.db2.gz VVNMBOVSHMTSFU-SFHVURJKSA-N -1 3 352.434 3.097 20 0 FGADHM C[C@@H]1CCN(C(=O)c2ccc(N3CCOCC3)cc2)c2c([O-])cccc21 ZINC000274348654 497076215 /nfs/dbraw/zinc/07/62/15/497076215.db2.gz GYXHCJVEROBJGV-OAHLLOKOSA-N -1 3 352.434 3.383 20 0 FGADHM O=C(c1cc([O-])ccc1C(F)(F)F)N1CCO[C@H](c2cccc(O)c2)C1 ZINC000189313563 497077919 /nfs/dbraw/zinc/07/79/19/497077919.db2.gz CXUKGEUZXKQCMQ-INIZCTEOSA-N -1 3 367.323 3.330 20 0 FGADHM C[C@@H]1CCN(C(=O)C[C@H]2Oc3ccccc3NC2=O)c2c([O-])cccc21 ZINC000274386934 497085438 /nfs/dbraw/zinc/08/54/38/497085438.db2.gz OJVZEIGAJQBXPR-SJKOYZFVSA-N -1 3 352.390 3.022 20 0 FGADHM C[C@@]1(C[N-]S(=O)(=O)c2ccc(Br)c(F)c2)CCCS1 ZINC000229725444 497100770 /nfs/dbraw/zinc/10/07/70/497100770.db2.gz VXDGMWATYXDEKC-LBPRGKRZSA-N -1 3 368.293 3.152 20 0 FGADHM O=S(=O)([N-]CC1CCSCC1)c1ccc(Br)c(F)c1 ZINC000230610500 497105777 /nfs/dbraw/zinc/10/57/77/497105777.db2.gz JMNQEGYXBAPQPY-UHFFFAOYSA-N -1 3 368.293 3.010 20 0 FGADHM CCc1ccc(CS(=O)(=O)[N-]Cc2nnc(C(C)(C)C)s2)cc1 ZINC000274524464 497117467 /nfs/dbraw/zinc/11/74/67/497117467.db2.gz YARQRQHEZUVLNT-UHFFFAOYSA-N -1 3 353.513 3.018 20 0 FGADHM COc1cc(C(=O)N2CCC(c3ncc(C)s3)CC2)cc(OC)c1[O-] ZINC000278452875 497120058 /nfs/dbraw/zinc/12/00/58/497120058.db2.gz INEANTGMGKAMGK-UHFFFAOYSA-N -1 3 362.451 3.194 20 0 FGADHM Cc1nc(C(C)(C)C)sc1C(=O)[N-]c1sccc1S(C)(=O)=O ZINC000265517926 497130762 /nfs/dbraw/zinc/13/07/62/497130762.db2.gz SZHALIJVRQYEES-UHFFFAOYSA-N -1 3 358.510 3.466 20 0 FGADHM CN(Cc1ccccc1)c1ccc(NC(=O)[N-]OC[C@H]2CCOC2)cc1 ZINC000189513437 497144743 /nfs/dbraw/zinc/14/47/43/497144743.db2.gz TZNIVFZZAZQWHV-KRWDZBQOSA-N -1 3 355.438 3.413 20 0 FGADHM O=C(Nc1ccsc1Cl)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000189512107 497145160 /nfs/dbraw/zinc/14/51/60/497145160.db2.gz PDKARESYKBPVLY-LBPRGKRZSA-N -1 3 350.827 3.350 20 0 FGADHM COc1ccc2c(c1)[n-]cc(C(=O)N(C)CC1(O)CCCCCC1)c2=O ZINC000189538593 497155618 /nfs/dbraw/zinc/15/56/18/497155618.db2.gz OGXJXRHULXHESJ-UHFFFAOYSA-N -1 3 358.438 3.106 20 0 FGADHM Cc1ccc(CS(=O)(=O)[N-][C@H](c2ccccc2)[C@H]2CCCO2)c(F)c1 ZINC000192585731 497156358 /nfs/dbraw/zinc/15/63/58/497156358.db2.gz WCJIOZABUOHDLJ-RTBURBONSA-N -1 3 363.454 3.474 20 0 FGADHM CCCNC(=O)c1ccc(NC([O-])=NO[C@H]2CCCCO2)cc1Cl ZINC000274751132 497157894 /nfs/dbraw/zinc/15/78/94/497157894.db2.gz HPCQJIQUJJMHQN-AWEZNQCLSA-N -1 3 355.822 3.060 20 0 FGADHM CCCNC(=O)c1ccc(NC(=O)[N-]O[C@H]2CCCCO2)cc1Cl ZINC000274751132 497157900 /nfs/dbraw/zinc/15/79/00/497157900.db2.gz HPCQJIQUJJMHQN-AWEZNQCLSA-N -1 3 355.822 3.060 20 0 FGADHM Cc1c([C@@H](C)NC(=O)c2ccc(O)cc2[O-])cnn1-c1ccc(F)cc1 ZINC000192608843 497162792 /nfs/dbraw/zinc/16/27/92/497162792.db2.gz IRFSGDWDNGQASQ-LLVKDONJSA-N -1 3 355.369 3.222 20 0 FGADHM COCCCCN(Cc1ccccc1)C(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000270631188 497166008 /nfs/dbraw/zinc/16/60/08/497166008.db2.gz CQTRTQCTTJNUQZ-UHFFFAOYSA-N -1 3 373.449 3.478 20 0 FGADHM COc1cc(C)c(S(=O)(=O)[N-]c2cc(CO)ccc2C)cc1Cl ZINC000278610885 497167300 /nfs/dbraw/zinc/16/73/00/497167300.db2.gz GRPGHANPEPGXMS-UHFFFAOYSA-N -1 3 355.843 3.259 20 0 FGADHM CSCc1ccc(NC(=O)NCCCNC(=O)c2cccc([O-])c2)cc1 ZINC000274808162 497170362 /nfs/dbraw/zinc/17/03/62/497170362.db2.gz UEORWKAIZGWWRS-UHFFFAOYSA-N -1 3 373.478 3.197 20 0 FGADHM COc1ccc2ncc(C(=O)[O-])c(N3CCC[C@H](c4ncc[nH]4)C3)c2c1 ZINC000569248558 505888939 /nfs/dbraw/zinc/88/89/39/505888939.db2.gz SJNZBWZYOICGBD-LBPRGKRZSA-N -1 3 352.394 3.049 20 0 FGADHM COc1ccc2ncc(C(=O)[O-])c(N3CCC[C@@H](c4ncc[nH]4)C3)c2c1 ZINC000569248553 505889094 /nfs/dbraw/zinc/88/90/94/505889094.db2.gz SJNZBWZYOICGBD-GFCCVEGCSA-N -1 3 352.394 3.049 20 0 FGADHM O=C1[C@@H]([N-]c2nnc(C(F)F)s2)CCN1c1ccc(Cl)c(F)c1 ZINC000270690368 497180082 /nfs/dbraw/zinc/18/00/82/497180082.db2.gz FLINATHQPBGNNU-VIFPVBQESA-N -1 3 362.764 3.486 20 0 FGADHM COc1cc(C(=O)NCCCCOCc2ccccc2)cc(OC)c1[O-] ZINC000270712866 497185517 /nfs/dbraw/zinc/18/55/17/497185517.db2.gz OYFGXUVUVKQRHZ-UHFFFAOYSA-N -1 3 359.422 3.136 20 0 FGADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1ccc(OC(F)F)cc1OC(F)F ZINC000274926726 497199544 /nfs/dbraw/zinc/19/95/44/497199544.db2.gz QAKQQOFKONACFP-LLVKDONJSA-N -1 3 368.283 3.469 20 0 FGADHM O=C([N-]O[C@@H]1CCCCO1)Nc1ccc(OC(F)F)cc1OC(F)F ZINC000274926726 497199549 /nfs/dbraw/zinc/19/95/49/497199549.db2.gz QAKQQOFKONACFP-LLVKDONJSA-N -1 3 368.283 3.469 20 0 FGADHM Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)N[C@@H](C)c1nc(C)cc(=O)[n-]1 ZINC000192778385 497212045 /nfs/dbraw/zinc/21/20/45/497212045.db2.gz HDGQPBVZRVYCCC-ONGXEEELSA-N -1 3 357.380 3.278 20 0 FGADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000270840769 497213098 /nfs/dbraw/zinc/21/30/98/497213098.db2.gz FYAVQBAILINHJB-MRXNPFEDSA-N -1 3 366.465 3.286 20 0 FGADHM C[C@H](c1ccccc1Cl)N1CCN(C(=O)c2cccc3[n-]nnc32)CC1 ZINC000189775001 497240665 /nfs/dbraw/zinc/24/06/65/497240665.db2.gz JXYNQELXFBRTCJ-CYBMUJFWSA-N -1 3 369.856 3.130 20 0 FGADHM C[C@H](c1ccccc1Cl)N1CCN(C(=O)c2cccc3nn[n-]c32)CC1 ZINC000189775001 497240672 /nfs/dbraw/zinc/24/06/72/497240672.db2.gz JXYNQELXFBRTCJ-CYBMUJFWSA-N -1 3 369.856 3.130 20 0 FGADHM C[C@H](c1ccccc1Cl)N1CCN(C(=O)c2cccc3n[n-]nc32)CC1 ZINC000189775001 497240677 /nfs/dbraw/zinc/24/06/77/497240677.db2.gz JXYNQELXFBRTCJ-CYBMUJFWSA-N -1 3 369.856 3.130 20 0 FGADHM COc1cc(-c2noc(-c3ccc(O[C@@H]4CCOC4)cc3)n2)ccc1[O-] ZINC000278881510 497253297 /nfs/dbraw/zinc/25/32/97/497253297.db2.gz WLOWHPDIRGSNHW-OAHLLOKOSA-N -1 3 354.362 3.286 20 0 FGADHM O=C(NC1CCN(CC(F)(F)F)CC1)c1cc([O-])ccc1C(F)(F)F ZINC000192963133 497260789 /nfs/dbraw/zinc/26/07/89/497260789.db2.gz YOUVHRSCEDGSOA-UHFFFAOYSA-N -1 3 370.293 3.168 20 0 FGADHM Cc1cc(Br)c(S(=O)(=O)[N-]Cc2ncccc2C)s1 ZINC000266151725 497268046 /nfs/dbraw/zinc/26/80/46/497268046.db2.gz JKJJRTJXYAJRPE-UHFFFAOYSA-N -1 3 361.286 3.001 20 0 FGADHM COC[C@H](C)n1ccc(NCc2cc(Br)c([O-])c(OC)c2)n1 ZINC000189890319 497282300 /nfs/dbraw/zinc/28/23/00/497282300.db2.gz LZRWIBFUAPXOGS-JTQLQIEISA-N -1 3 370.247 3.179 20 0 FGADHM COc1cccc2c1OC[C@H](NC(=O)c1cc([O-])ccc1C(F)(F)F)C2 ZINC000193141889 497311317 /nfs/dbraw/zinc/31/13/17/497311317.db2.gz CVGTWLNWSKKJFV-LLVKDONJSA-N -1 3 367.323 3.153 20 0 FGADHM C[C@H](NC(=O)c1cc(Oc2ccccc2)ccc1[O-])c1nnc2n1CCC2 ZINC000271310936 497317774 /nfs/dbraw/zinc/31/77/74/497317774.db2.gz WRKIPBBDYXLSQA-ZDUSSCGKSA-N -1 3 364.405 3.213 20 0 FGADHM CCC[C@H]1[C@@H](C)CCCN1C(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000266392327 497325556 /nfs/dbraw/zinc/32/55/56/497325556.db2.gz IIIBTANTILLWID-LRDDRELGSA-N -1 3 356.463 3.238 20 0 FGADHM O=C(Nc1cnn(Cc2ccncc2)c1)c1cc([O-])ccc1C(F)(F)F ZINC000193221011 497326842 /nfs/dbraw/zinc/32/68/42/497326842.db2.gz KKDNOTNAZNNOTB-UHFFFAOYSA-N -1 3 362.311 3.303 20 0 FGADHM Cc1c(C(=O)Nc2ccc([O-])cc2F)nnn1Cc1ccc(F)cc1F ZINC000190082975 497350780 /nfs/dbraw/zinc/35/07/80/497350780.db2.gz ABVRHSRLDSJZGI-UHFFFAOYSA-N -1 3 362.311 3.010 20 0 FGADHM COc1ccc([C@H](OC)[C@H](C)NC(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000271472274 497357970 /nfs/dbraw/zinc/35/79/70/497357970.db2.gz HFQSRJRCTUHCRL-KPZWWZAWSA-N -1 3 362.401 3.115 20 0 FGADHM Cc1ccc(/C=C\CC(=O)Nc2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)cc1 ZINC000255295435 497363093 /nfs/dbraw/zinc/36/30/93/497363093.db2.gz HEOXQNIZACNOTI-OMUFJYGLSA-N -1 3 363.417 3.092 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CCC[C@@H](C)C2)c1 ZINC000193476474 497390224 /nfs/dbraw/zinc/39/02/24/497390224.db2.gz JUBHMAQLSANSLD-DGCLKSJQSA-N -1 3 357.410 3.249 20 0 FGADHM Cc1cc(S(=O)(=O)[N-][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)c(Cl)cc1F ZINC000245546100 497450098 /nfs/dbraw/zinc/45/00/98/497450098.db2.gz MZWAJXCQHDKYFT-COLVAYQJSA-N -1 3 359.850 3.023 20 0 FGADHM COc1ccc(N[C@@H](C)[C@H](OC)c2ccccc2)cc1[N-]S(C)(=O)=O ZINC000279483294 497451209 /nfs/dbraw/zinc/45/12/09/497451209.db2.gz KYBNZLSUCAIBPI-UGSOOPFHSA-N -1 3 364.467 3.255 20 0 FGADHM Cc1csc([C@@H]2COCCN2Cc2cc([O-])ccc2Br)n1 ZINC000190403359 497466531 /nfs/dbraw/zinc/46/65/31/497466531.db2.gz UBUPKVXFNNZQNW-AWEZNQCLSA-N -1 3 369.284 3.493 20 0 FGADHM O=c1cc(C[S@@](=O)c2ccc(Br)cc2)nc(C2CC2)[n-]1 ZINC000569329339 505908690 /nfs/dbraw/zinc/90/86/90/505908690.db2.gz JILWTBRIDOJROS-HXUWFJFHSA-N -1 3 353.241 3.130 20 0 FGADHM O=C(Cc1ccc([O-])cc1Cl)N1CCC(Nc2nccs2)CC1 ZINC000190437436 497480439 /nfs/dbraw/zinc/48/04/39/497480439.db2.gz XNVQRPIKRWJWED-UHFFFAOYSA-N -1 3 351.859 3.148 20 0 FGADHM COC(=O)C1(c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3F)cc2)CC1 ZINC000271937651 497492437 /nfs/dbraw/zinc/49/24/37/497492437.db2.gz YFGJNOSCILVVFT-UHFFFAOYSA-N -1 3 363.410 3.140 20 0 FGADHM O=C([O-])[C@@]12CCC[C@H]1CN(Cc1cc(Cl)c3c(c1)OCCCO3)C2 ZINC000262089894 497506934 /nfs/dbraw/zinc/50/69/34/497506934.db2.gz GHWPLITZZKMQSL-SCLBCKFNSA-N -1 3 351.830 3.188 20 0 FGADHM Cn1nc(-c2ccc(Cl)s2)cc1NC([O-])=NO[C@@H]1CCCCO1 ZINC000279713494 497518300 /nfs/dbraw/zinc/51/83/00/497518300.db2.gz LDSRWPZRVKXEDV-CYBMUJFWSA-N -1 3 356.835 3.382 20 0 FGADHM C[C@]1(c2cccc(NC(=O)[C@@H]3CC[C@H]4CCCC[C@H]4C3)c2)NC(=O)[N-]C1=O ZINC000245740335 497523322 /nfs/dbraw/zinc/52/33/22/497523322.db2.gz VAPVXPIUMSBVKM-VWEBPMOJSA-N -1 3 369.465 3.286 20 0 FGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@@H]2C[C@@H](C)O[C@@H](C)C2)cc1Cl ZINC000245748542 497526605 /nfs/dbraw/zinc/52/66/05/497526605.db2.gz YMMKERUDIWBLDF-ILWJIGKKSA-N -1 3 368.282 3.236 20 0 FGADHM CC(C)(C)[C@@H](NC(=O)CN1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1)c1cccs1 ZINC000262246347 497530359 /nfs/dbraw/zinc/53/03/59/497530359.db2.gz YPCYXJUMSRLDBX-IYJAJMOOSA-N -1 3 364.511 3.138 20 0 FGADHM CCOC(=O)c1c(C)c2ccccc2nc1CN[C@H](C(=O)[O-])[C@@H](C)CC ZINC000575063435 505913442 /nfs/dbraw/zinc/91/34/42/505913442.db2.gz VHCAOLNRQQYOGI-SGTLLEGYSA-N -1 3 358.438 3.309 20 0 FGADHM CN(CCCNC(=O)c1cc([O-])ccc1C(F)(F)F)CC(F)(F)F ZINC000276371537 497556537 /nfs/dbraw/zinc/55/65/37/497556537.db2.gz BYXXDRFLOJWDFX-UHFFFAOYSA-N -1 3 358.282 3.025 20 0 FGADHM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)CC1CC1 ZINC000190653308 497560109 /nfs/dbraw/zinc/56/01/09/497560109.db2.gz XUMYQUABTCMEPW-RYUDHWBXSA-N -1 3 361.891 3.221 20 0 FGADHM O=S(=O)(CCC(F)(F)F)[N-]C[C@H](Cc1ccccc1)C(F)(F)F ZINC000572208328 505914692 /nfs/dbraw/zinc/91/46/92/505914692.db2.gz HFSSXSFEVFQVKP-NSHDSACASA-N -1 3 363.323 3.279 20 0 FGADHM CC(C)(C)OC(=O)Nc1ccc(F)c(NC([O-])=NOC[C@H]2CCOC2)c1 ZINC000276410236 497567737 /nfs/dbraw/zinc/56/77/37/497567737.db2.gz PQPVJIOBFJSEMI-NSHDSACASA-N -1 3 369.393 3.262 20 0 FGADHM CC(C)(C)OC(=O)Nc1ccc(F)c(NC(=O)[N-]OC[C@H]2CCOC2)c1 ZINC000276410236 497567741 /nfs/dbraw/zinc/56/77/41/497567741.db2.gz PQPVJIOBFJSEMI-NSHDSACASA-N -1 3 369.393 3.262 20 0 FGADHM CCCCOc1ccc(C(=O)N2CCC[C@H](Cc3nccn3C)C2)c([O-])c1 ZINC000190683036 497571678 /nfs/dbraw/zinc/57/16/78/497571678.db2.gz COAHYENFXORWCQ-MRXNPFEDSA-N -1 3 371.481 3.400 20 0 FGADHM C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)N1CCC[C@@H](C(=O)[O-])C1 ZINC000262639960 497589935 /nfs/dbraw/zinc/58/99/35/497589935.db2.gz HCCDVEFZINMGAC-QFBILLFUSA-N -1 3 366.461 3.077 20 0 FGADHM C[C@H](CON=C([O-])Nc1cccc2ccn(C)c21)NC(=O)OC(C)(C)C ZINC000276507971 497590077 /nfs/dbraw/zinc/59/00/77/497590077.db2.gz SGNIYMDRZUUEQU-GFCCVEGCSA-N -1 3 362.430 3.145 20 0 FGADHM C[C@H](CO[N-]C(=O)Nc1cccc2ccn(C)c21)NC(=O)OC(C)(C)C ZINC000276507971 497590081 /nfs/dbraw/zinc/59/00/81/497590081.db2.gz SGNIYMDRZUUEQU-GFCCVEGCSA-N -1 3 362.430 3.145 20 0 FGADHM COC(=O)[C@]1(C)CCCN1C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000190740511 497590322 /nfs/dbraw/zinc/59/03/22/497590322.db2.gz YSRFAOYZXAEJCA-NRFANRHFSA-N -1 3 353.418 3.151 20 0 FGADHM CO[C@@H](C)c1nc(C[N-]S(=O)(=O)c2ccc(Cl)s2)cs1 ZINC000267633552 497591671 /nfs/dbraw/zinc/59/16/71/497591671.db2.gz OSFVUSUAQGPTGE-ZETCQYMHSA-N -1 3 352.890 3.044 20 0 FGADHM Cc1ccc(CN2CC[C@H]([N-]c3nnc(C(F)(F)F)s3)C2=O)cc1 ZINC000276658465 497622367 /nfs/dbraw/zinc/62/23/67/497622367.db2.gz DRGQIXIZFDLDSN-NSHDSACASA-N -1 3 356.373 3.078 20 0 FGADHM Cc1cc(C(=O)N[C@H](C)C(=O)Nc2cccc(N3CCCC3)c2)ccc1[O-] ZINC000272431211 497627814 /nfs/dbraw/zinc/62/78/14/497627814.db2.gz LJTLZLNPPBMIHM-OAHLLOKOSA-N -1 3 367.449 3.058 20 0 FGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)/C=C2/CC[C@H](C)C2)cc1OC ZINC000267847288 497628088 /nfs/dbraw/zinc/62/80/88/497628088.db2.gz KJYLRPMIUVLXIL-IXJPEXDMSA-N -1 3 352.456 3.142 20 0 FGADHM CN(C)CCN(Cc1cccs1)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000267893214 497635484 /nfs/dbraw/zinc/63/54/84/497635484.db2.gz ZKZIEOAKYVXZQA-UHFFFAOYSA-N -1 3 355.463 3.206 20 0 FGADHM C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)N1CC[C@](C)(C(=O)[O-])C1 ZINC000262843753 497635864 /nfs/dbraw/zinc/63/58/64/497635864.db2.gz AXVDVTFHZBJDDI-RVPKQNPDSA-N -1 3 373.280 3.356 20 0 FGADHM COc1cccc2c(C(=O)Nc3cc(-c4ccsc4)nn3C)[n-]nc21 ZINC000575095511 505919687 /nfs/dbraw/zinc/91/96/87/505919687.db2.gz KVSIKWVTJPVKCT-UHFFFAOYSA-N -1 3 353.407 3.286 20 0 FGADHM COc1cccc2c(C(=O)Nc3cc(-c4ccsc4)nn3C)n[n-]c21 ZINC000575095511 505919692 /nfs/dbraw/zinc/91/96/92/505919692.db2.gz KVSIKWVTJPVKCT-UHFFFAOYSA-N -1 3 353.407 3.286 20 0 FGADHM CC(C)c1nnc(CCC(=O)Nc2nnc(-c3cc4ccccc4o3)[n-]2)o1 ZINC000276747182 497643465 /nfs/dbraw/zinc/64/34/65/497643465.db2.gz LXRZFKKVDRZINY-UHFFFAOYSA-N -1 3 366.381 3.296 20 0 FGADHM CC(C)c1nnc(CCC(=O)Nc2nc(-c3cc4ccccc4o3)n[n-]2)o1 ZINC000276747182 497643468 /nfs/dbraw/zinc/64/34/68/497643468.db2.gz LXRZFKKVDRZINY-UHFFFAOYSA-N -1 3 366.381 3.296 20 0 FGADHM CC(C)c1nnc(CCC(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)o1 ZINC000276747182 497643470 /nfs/dbraw/zinc/64/34/70/497643470.db2.gz LXRZFKKVDRZINY-UHFFFAOYSA-N -1 3 366.381 3.296 20 0 FGADHM CO[C@@H](C)C(=O)Nc1cccc(NC(=O)c2cc(-c3ccc(C)o3)[n-]n2)c1 ZINC000194428457 497663598 /nfs/dbraw/zinc/66/35/98/497663598.db2.gz ZXKKQWZDWUARSO-LBPRGKRZSA-N -1 3 368.393 3.204 20 0 FGADHM CO[C@@H](C)C(=O)Nc1cccc(NC(=O)c2cc(-c3ccc(C)o3)n[n-]2)c1 ZINC000194428457 497663604 /nfs/dbraw/zinc/66/36/04/497663604.db2.gz ZXKKQWZDWUARSO-LBPRGKRZSA-N -1 3 368.393 3.204 20 0 FGADHM C[C@H](CNC(=O)c1ccc(Br)c([O-])c1)N1CCC[C@@H](C)C1 ZINC000246229250 497668881 /nfs/dbraw/zinc/66/88/81/497668881.db2.gz FSEBXMGDBRUWTK-VXGBXAGGSA-N -1 3 355.276 3.005 20 0 FGADHM COc1cc(S(=O)(=O)[N-]c2c(F)cccc2N2CCCC2)ccc1F ZINC000190986099 497672764 /nfs/dbraw/zinc/67/27/64/497672764.db2.gz PEARLIQFUOYQQX-UHFFFAOYSA-N -1 3 368.405 3.374 20 0 FGADHM COc1cc(S(=O)(=O)[N-]c2ccc3nc(C(F)F)[nH]c3c2)ccc1F ZINC000190998703 497678457 /nfs/dbraw/zinc/67/84/57/497678457.db2.gz DOESQROXSFISFA-UHFFFAOYSA-N -1 3 371.340 3.449 20 0 FGADHM CCOC(=O)c1csc([C@@H]2CCCN2C(=O)c2ccc([O-])c(C)c2)n1 ZINC000276884148 497678575 /nfs/dbraw/zinc/67/85/75/497678575.db2.gz PPFNYWHQXDXZHS-AWEZNQCLSA-N -1 3 360.435 3.311 20 0 FGADHM CC(C)(CCNCc1cn(-c2ccc(Cl)cc2Cl)nn1)C(=O)[O-] ZINC000263017590 497682292 /nfs/dbraw/zinc/68/22/92/497682292.db2.gz DILCTQRSDDLSMB-UHFFFAOYSA-N -1 3 357.241 3.165 20 0 FGADHM CN(C)CCOc1ccccc1CNC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000194501319 497688276 /nfs/dbraw/zinc/68/82/76/497688276.db2.gz UHZHYAIRHTYBPE-UHFFFAOYSA-N -1 3 366.820 3.055 20 0 FGADHM C[C@H](C(=O)Nc1ccccc1-c1ccccc1)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000263098321 497704625 /nfs/dbraw/zinc/70/46/25/497704625.db2.gz IMTNUGDTAUDXMM-QVKFZJNVSA-N -1 3 352.434 3.477 20 0 FGADHM O=C([O-])[C@@H]1CN(Cc2ccc(OC(F)(F)F)cc2)C[C@H]1C(F)(F)F ZINC000263095925 497704644 /nfs/dbraw/zinc/70/46/44/497704644.db2.gz YWXKTIKQQAFGHN-GHMZBOCLSA-N -1 3 357.250 3.280 20 0 FGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)NCC1(CC(C)C)CC1 ZINC000268229379 497707159 /nfs/dbraw/zinc/70/71/59/497707159.db2.gz LGPQBHJJJHFJDX-UHFFFAOYSA-N -1 3 368.481 3.428 20 0 FGADHM C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000263127672 497712504 /nfs/dbraw/zinc/71/25/04/497712504.db2.gz LFHDYOVVZNWIMF-KSFYIVLOSA-N -1 3 366.461 3.077 20 0 FGADHM Cc1[nH]nc2ncc([N-]S(=O)(=O)Cc3cc(Cl)ccc3F)cc12 ZINC000194634330 497724906 /nfs/dbraw/zinc/72/49/06/497724906.db2.gz GFXZFLVEKFXTPP-UHFFFAOYSA-N -1 3 354.794 3.001 20 0 FGADHM CCOC(=O)N1CCc2c(sc3[n-]c(CSCC)nc(=O)c23)C1 ZINC000272776661 497726800 /nfs/dbraw/zinc/72/68/00/497726800.db2.gz ANOAROPEGLHXBI-UHFFFAOYSA-N -1 3 353.469 3.165 20 0 FGADHM COc1cc(C(=O)N2CCO[C@@H](c3ccc(F)cc3Cl)C2)ccc1[O-] ZINC000277060348 497730056 /nfs/dbraw/zinc/73/00/56/497730056.db2.gz HWZFWYBFSKXBBL-QGZVFWFLSA-N -1 3 365.788 3.407 20 0 FGADHM O=C(c1c([O-])cccc1O)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000272805765 497734855 /nfs/dbraw/zinc/73/48/55/497734855.db2.gz GZALPIIBSFEXTK-HNNXBMFYSA-N -1 3 367.323 3.330 20 0 FGADHM COc1cc(S(=O)(=O)[N-]c2cc(C(C)=O)ccc2Cl)ccc1F ZINC000191178252 497735036 /nfs/dbraw/zinc/73/50/36/497735036.db2.gz QEWVNWYBHUAFCL-UHFFFAOYSA-N -1 3 357.790 3.491 20 0 FGADHM CN1CC[C@H]([N-]S(=O)(=O)c2cccs2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246459862 497740806 /nfs/dbraw/zinc/74/08/06/497740806.db2.gz JDRBXDJGIVARBL-DZGCQCFKSA-N -1 3 374.890 3.264 20 0 FGADHM Cc1cc(C(=O)N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)ccc1[O-] ZINC000272878999 497751756 /nfs/dbraw/zinc/75/17/56/497751756.db2.gz XJTOAZKLIUQHJS-ZDUSSCGKSA-N -1 3 353.344 3.393 20 0 FGADHM C[C@@H](NC(=O)[C@H](C)N1C[C@H](C)C[C@H](C(=O)[O-])C1)c1cccc2ccccc21 ZINC000263311698 497755608 /nfs/dbraw/zinc/75/56/08/497755608.db2.gz IBVZCXZKAVJGQZ-CBZIJGRNSA-N -1 3 368.477 3.448 20 0 FGADHM C[C@@H](NC(=O)CN1C[C@H](C)C[C@H](C(=O)[O-])C1)c1ccc(Cl)c(Cl)c1 ZINC000263343187 497763247 /nfs/dbraw/zinc/76/32/47/497763247.db2.gz NYPSLBIDXSEAAD-WZRBSPASSA-N -1 3 373.280 3.213 20 0 FGADHM COCc1nc(S[C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)n[n-]1 ZINC000268488487 497763481 /nfs/dbraw/zinc/76/34/81/497763481.db2.gz NPCBULJWVSZMLC-SSDOTTSWSA-N -1 3 361.254 3.377 20 0 FGADHM O=S(=O)([N-]CC1CC1)c1cc(C(F)(F)F)ccc1Br ZINC000194766766 497764985 /nfs/dbraw/zinc/76/49/85/497764985.db2.gz ULRCWGOPVUOOBQ-UHFFFAOYSA-N -1 3 358.179 3.156 20 0 FGADHM CC(C)Oc1cccc(CN[C@@H](CC(=O)OCc2ccccc2)C(=O)[O-])c1 ZINC000277181285 497767210 /nfs/dbraw/zinc/76/72/10/497767210.db2.gz FICUREIVSGNHGO-IBGZPJMESA-N -1 3 371.433 3.150 20 0 FGADHM CCN(C(=O)CN1C[C@@H](C)C[C@H](C(=O)[O-])C1)c1cccc2ccccc21 ZINC000263367809 497769747 /nfs/dbraw/zinc/76/97/47/497769747.db2.gz UKHFREUWHSPWIA-RDJZCZTQSA-N -1 3 354.450 3.235 20 0 FGADHM CC(C)[C@H]1C[C@H](CC(=O)N(C)Cc2nc3ccsc3c(=O)[n-]2)CCO1 ZINC000272974752 497774987 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CS(=O)(=O)[N-]c1ccc(-c2nc(-c3c[nH]c4ccccc34)no2)cc1 ZINC000350808338 498138508 /nfs/dbraw/zinc/13/85/08/498138508.db2.gz LMIUPTBNOZDDRB-UHFFFAOYSA-N -1 3 354.391 3.256 20 0 FGADHM CCOC1(C)CCN(C(=O)NCc2ccc([O-])c(Br)c2)CC1 ZINC000292772118 498142052 /nfs/dbraw/zinc/14/20/52/498142052.db2.gz XNGPJNCQDUSKAF-UHFFFAOYSA-N -1 3 371.275 3.255 20 0 FGADHM C[C@H]1CN(c2ccc(NC(=O)c3cc([O-])ccc3Cl)cn2)C[C@H](C)O1 ZINC000289445460 498150587 /nfs/dbraw/zinc/15/05/87/498150587.db2.gz GKLOVOHXDCHGMZ-RYUDHWBXSA-N -1 3 361.829 3.307 20 0 FGADHM Cc1nc([C@H](C)[N-]S(=O)(=O)c2sccc2Br)cs1 ZINC000330658220 498167564 /nfs/dbraw/zinc/16/75/64/498167564.db2.gz WROAMFNTPQBKPL-LURJTMIESA-N -1 3 367.315 3.315 20 0 FGADHM CCS[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cccnc2C(F)(F)F)C1 ZINC000330673425 498172193 /nfs/dbraw/zinc/17/21/93/498172193.db2.gz PFWKRCUIPKRBOF-MNOVXSKESA-N -1 3 368.446 3.443 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(N(C)Cc3nc4ccccc4n3C)nc2)n1 ZINC000301587868 498176290 /nfs/dbraw/zinc/17/62/90/498176290.db2.gz 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CC[C@H](C)[C@H]([N-]S(=O)(=O)Cc1ccc(F)cc1)C(=O)OC(C)(C)C ZINC000325335875 498836229 /nfs/dbraw/zinc/83/62/29/498836229.db2.gz HNMBJZNRYXTQNV-WFASDCNBSA-N -1 3 359.463 3.002 20 0 FGADHM CSc1ccc(NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000298666466 498843761 /nfs/dbraw/zinc/84/37/61/498843761.db2.gz DHURHHSVQQDXRM-UHFFFAOYSA-N -1 3 371.462 3.104 20 0 FGADHM COCc1nc(Sc2ccc(Br)c(C(F)(F)F)n2)n[n-]1 ZINC000287723363 498846580 /nfs/dbraw/zinc/84/65/80/498846580.db2.gz FKXYMLIQEIFLOP-UHFFFAOYSA-N -1 3 369.166 3.279 20 0 FGADHM O=C(CCc1ccc2ccccc2c1[O-])N1CCOCC2(CCOCC2)C1 ZINC000294944612 498858321 /nfs/dbraw/zinc/85/83/21/498858321.db2.gz LUYWZYXNEJFHJK-UHFFFAOYSA-N -1 3 369.461 3.134 20 0 FGADHM CC[C@@]1(C)CN(C(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)CCO1 ZINC000328623871 498879409 /nfs/dbraw/zinc/87/94/09/498879409.db2.gz ZEWXGXUWMIUUKP-IBGZPJMESA-N -1 3 356.426 3.190 20 0 FGADHM C[C@H](N/C=C1/C(=O)[N-]C(=O)c2ccccc21)c1ccc(-c2cncnc2)cc1 ZINC000363579533 498888426 /nfs/dbraw/zinc/88/84/26/498888426.db2.gz CPLRKBGBGLWMKZ-PVGUKEHMSA-N -1 3 370.412 3.105 20 0 FGADHM O=C([N-]c1ccccc1SC(F)F)c1cc(Cn2cccn2)on1 ZINC000366365677 498892124 /nfs/dbraw/zinc/89/21/24/498892124.db2.gz SQOANPZCDZDEKQ-UHFFFAOYSA-N -1 3 350.350 3.486 20 0 FGADHM CCc1cc(C(=O)N[C@H](C)c2ccc(N3CCOC3=O)cc2)ccc1[O-] ZINC000291425542 498935514 /nfs/dbraw/zinc/93/55/14/498935514.db2.gz DRFWZKLSRGPHHZ-CYBMUJFWSA-N -1 3 354.406 3.402 20 0 FGADHM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc([C@@H]3CCOC3)cc2)cc1 ZINC000295187716 498937624 /nfs/dbraw/zinc/93/76/24/498937624.db2.gz KHJIKIHHONODAL-OAHLLOKOSA-N -1 3 374.462 3.340 20 0 FGADHM CO[C@H](CS(=O)(=O)[N-]c1ccc(F)c([C@H](C)O)c1)c1ccccc1 ZINC000295198764 498941300 /nfs/dbraw/zinc/94/13/00/498941300.db2.gz MRXQOIPLVKGDCB-YVEFUNNKSA-N -1 3 353.415 3.008 20 0 FGADHM C[C@]12CCCN1C[C@@H](c1noc(-c3ccc4c(c3[O-])CCCC4)n1)OC2 ZINC000333219586 498942205 /nfs/dbraw/zinc/94/22/05/498942205.db2.gz DIASVVHLQJFQRG-OXJNMPFZSA-N -1 3 355.438 3.247 20 0 FGADHM Cc1c(CS(C)(=O)=O)cccc1NC(=O)c1cc([O-])ccc1Cl ZINC000570209098 506115160 /nfs/dbraw/zinc/11/51/60/506115160.db2.gz JGTUAFWIYQJJEU-UHFFFAOYSA-N -1 3 353.827 3.151 20 0 FGADHM O=C([O-])c1cnc2ccccc2c1N1CCC(CO)(c2ccccc2)CC1 ZINC000570215270 506116921 /nfs/dbraw/zinc/11/69/21/506116921.db2.gz GSRIKEVYGJAJAX-UHFFFAOYSA-N -1 3 362.429 3.464 20 0 FGADHM Cc1cc(C(=O)NC2CCN(C(=O)c3cccc([O-])c3)CC2)c(F)cc1F ZINC000363733713 498965916 /nfs/dbraw/zinc/96/59/16/498965916.db2.gz OZMNVDWRWGSMJO-UHFFFAOYSA-N -1 3 374.387 3.013 20 0 FGADHM O=S(=O)([N-][C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1)c1cscn1 ZINC000576275750 506119490 /nfs/dbraw/zinc/11/94/90/506119490.db2.gz NNRWJXYYCWECCK-UMSPYCQHSA-N -1 3 362.398 3.386 20 0 FGADHM CC[C@H](COCC(F)(F)F)NC(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000295324711 498979249 /nfs/dbraw/zinc/97/92/49/498979249.db2.gz DPDAITFCAXNYTQ-LLVKDONJSA-N -1 3 374.334 3.475 20 0 FGADHM O=c1[n-]c(C=Cc2cncs2)nc2c1CN(Cc1ccccc1)CC2 ZINC000363765270 498981399 /nfs/dbraw/zinc/98/13/99/498981399.db2.gz 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ZINC000288431963 499023204 /nfs/dbraw/zinc/02/32/04/499023204.db2.gz SWKQNZHTOSIDAF-HNNXBMFYSA-N -1 3 371.462 3.149 20 0 FGADHM [O-]c1cccnc1CNC1(c2cccc(Br)c2)CCOCC1 ZINC000573139820 506127093 /nfs/dbraw/zinc/12/70/93/506127093.db2.gz LRNFFDMLMYNRMN-UHFFFAOYSA-N -1 3 363.255 3.345 20 0 FGADHM COc1ccc2c(c1)[n-]cc(C(=O)N1CC[C@@H](c3cccc(C)c3)C1)c2=O ZINC000576311265 506127150 /nfs/dbraw/zinc/12/71/50/506127150.db2.gz CXLPFQMGWMXVQC-MRXNPFEDSA-N -1 3 362.429 3.475 20 0 FGADHM Cc1nc(C2([N-]S(=O)(=O)CCc3cccs3)CCCCCC2)no1 ZINC000333553533 499030706 /nfs/dbraw/zinc/03/07/06/499030706.db2.gz QJGAZGCSNZXODF-UHFFFAOYSA-N -1 3 369.512 3.151 20 0 FGADHM COc1ccc2oc(CN3CCC[C@@H](C[N-]C(=O)C(F)(F)F)C3)cc2c1 ZINC000291684815 499035069 /nfs/dbraw/zinc/03/50/69/499035069.db2.gz XMCPXRDCGGQFPP-LBPRGKRZSA-N -1 3 370.371 3.332 20 0 FGADHM CCOc1cc(C(=O)N2C[C@H](N3CCCC3)C[C@H]2C)cc(Cl)c1[O-] ZINC000288481341 499036835 /nfs/dbraw/zinc/03/68/35/499036835.db2.gz QYFNQHKYWLYJIC-TZMCWYRMSA-N -1 3 352.862 3.143 20 0 FGADHM COc1ccc([O-])c(-c2nc([C@H]3CN(C4CCCCC4)CCO3)no2)c1 ZINC000363894583 499042011 /nfs/dbraw/zinc/04/20/11/499042011.db2.gz ZUHWQZZEXWHRGN-QGZVFWFLSA-N -1 3 359.426 3.157 20 0 FGADHM O=C([N-]c1nnc(C2CCOCC2)s1)c1cccc(C(F)(F)F)n1 ZINC000295529395 499043860 /nfs/dbraw/zinc/04/38/60/499043860.db2.gz GYDIAVCAEIGSQU-UHFFFAOYSA-N -1 3 358.345 3.098 20 0 FGADHM CCOc1nc2ccc(C(=O)N3CCCCC[C@@H]3c3noc(C)n3)cc2[n-]1 ZINC000333690973 499058546 /nfs/dbraw/zinc/05/85/46/499058546.db2.gz MNANAQUABOFLDL-MRXNPFEDSA-N -1 3 369.425 3.411 20 0 FGADHM CCOc1nc2cc(C(=O)N3CCCCC[C@@H]3c3noc(C)n3)ccc2[n-]1 ZINC000333690973 499058549 /nfs/dbraw/zinc/05/85/49/499058549.db2.gz MNANAQUABOFLDL-MRXNPFEDSA-N -1 3 369.425 3.411 20 0 FGADHM COc1cc(C(=O)N2[C@H](C)CO[C@@H](c3ccccc3)[C@H]2C)cc(OC)c1[O-] ZINC000363937493 499059424 /nfs/dbraw/zinc/05/94/24/499059424.db2.gz HGXGHWUTWRAHEO-ARGWCVDVSA-N -1 3 371.433 3.400 20 0 FGADHM O=S(=O)(CCC(F)(F)F)[N-][C@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000284237658 499074304 /nfs/dbraw/zinc/07/43/04/499074304.db2.gz JNWFVIHCQYHCMS-NWDGAFQWSA-N -1 3 357.781 3.042 20 0 FGADHM Cc1c([N-]C(=O)C2(S(C)(=O)=O)CCCC2)onc1C1CCCCC1 ZINC000333801756 499078878 /nfs/dbraw/zinc/07/88/78/499078878.db2.gz DJNKESBQZWAMOI-UHFFFAOYSA-N -1 3 354.472 3.327 20 0 FGADHM Cc1ccc2[nH]c3c(c2c1)C[C@H]([N-]S(=O)(=O)c1cn(C(C)C)cn1)CC3 ZINC000329263591 499086881 /nfs/dbraw/zinc/08/68/81/499086881.db2.gz ZVVNEULTRAOYJQ-CQSZACIVSA-N -1 3 372.494 3.090 20 0 FGADHM O=C(N[C@@H]1CCO[C@@H](c2cccs2)C1)c1c[n-]nc1-c1ccccn1 ZINC000582106544 506135045 /nfs/dbraw/zinc/13/50/45/506135045.db2.gz HONAPKZBPVHOLS-IUODEOHRSA-N -1 3 354.435 3.183 20 0 FGADHM CSc1ccc(C(=O)N2CCO[C@@H](c3nc(C)cs3)C2)c([O-])c1 ZINC000367033684 499137123 /nfs/dbraw/zinc/13/71/23/499137123.db2.gz PMSGVXFPGMKFRS-CQSZACIVSA-N -1 3 350.465 3.093 20 0 FGADHM O=C(N=c1ccc(C2CC2)n[n-]1)[C@@]12CCC[C@@H]1CN(Cc1ccccc1)C2 ZINC000573161035 506132693 /nfs/dbraw/zinc/13/26/93/506132693.db2.gz FAQBISHVEKDBLL-XMSQKQJNSA-N -1 3 362.477 3.017 20 0 FGADHM O=C([O-])[C@H](c1cccc(Br)c1)N1CC[C@@H](c2cccnc2)C1 ZINC000570286294 506133421 /nfs/dbraw/zinc/13/34/21/506133421.db2.gz HGSTWHZODIWASX-ZBFHGGJFSA-N -1 3 361.239 3.459 20 0 FGADHM Cc1n[n-]c(=NC[C@H]2CCCN(C)[C@H]2c2ccc(C(F)(F)F)cc2)o1 ZINC000367328556 499182352 /nfs/dbraw/zinc/18/23/52/499182352.db2.gz ZRRBITBAPQWXJI-HIFRSBDPSA-N -1 3 354.376 3.314 20 0 FGADHM O=C(Nc1cccc([O-])c1F)[C@@H]1CCCN1c1ncnc2ccccc21 ZINC000372840321 499182991 /nfs/dbraw/zinc/18/29/91/499182991.db2.gz RMKGYUAAJXXZMN-HNNXBMFYSA-N -1 3 352.369 3.082 20 0 FGADHM O=C1[C@H](c2nc(-c3ccc([O-])cc3)no2)CCN1c1cc(F)cc(F)c1 ZINC000372907634 499193021 /nfs/dbraw/zinc/19/30/21/499193021.db2.gz XGDJTWMJKAZNSY-HNNXBMFYSA-N -1 3 357.316 3.241 20 0 FGADHM O=C(C[C@H]1CCCN1C(=O)c1cc(=O)c2ccccc2[n-]1)c1cccs1 ZINC000370312573 499208585 /nfs/dbraw/zinc/20/85/85/499208585.db2.gz ZRCOFQMYCBMZHR-CYBMUJFWSA-N -1 3 366.442 3.467 20 0 FGADHM CC[C@H]1CN(C)c2ccccc2CN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000370347664 499211888 /nfs/dbraw/zinc/21/18/88/499211888.db2.gz VPMMRKIQBOTHDR-INIZCTEOSA-N -1 3 361.445 3.399 20 0 FGADHM Cc1nc([C@@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)cc2[O-])n[nH]1 ZINC000367569453 499213892 /nfs/dbraw/zinc/21/38/92/499213892.db2.gz ILEGYSSACLYYQT-LBPRGKRZSA-N -1 3 354.332 3.205 20 0 FGADHM Cc1noc(C2CN(C(=O)c3cc(Oc4ccccc4)ccc3[O-])C2)n1 ZINC000370490851 499225702 /nfs/dbraw/zinc/22/57/02/499225702.db2.gz IQYUUULHHKOPJT-UHFFFAOYSA-N -1 3 351.362 3.116 20 0 FGADHM O=C(NC1CCN(C(=O)c2cccc([O-])c2)CC1)C(C1CCC1)C1CCC1 ZINC000367700219 499225901 /nfs/dbraw/zinc/22/59/01/499225901.db2.gz UMSHWGXUYDTKIQ-UHFFFAOYSA-N -1 3 370.493 3.329 20 0 FGADHM O=C([N-]c1nc(C2CCOCC2)cs1)c1cc(-c2ccncc2)on1 ZINC000367896113 499242922 /nfs/dbraw/zinc/24/29/22/499242922.db2.gz JBURNJYBPUFWAA-UHFFFAOYSA-N -1 3 356.407 3.339 20 0 FGADHM O=C(c1cccs1)N1CCC[C@H](C(=O)N2CCCc3cccc([O-])c32)C1 ZINC000367917006 499244980 /nfs/dbraw/zinc/24/49/80/499244980.db2.gz KODXAHUTAHNHEG-HNNXBMFYSA-N -1 3 370.474 3.285 20 0 FGADHM Cc1cccc(C(=O)N(C)[C@@H](c2ccc(F)cc2)c2cnccn2)c1[O-] ZINC000370988999 499277945 /nfs/dbraw/zinc/27/79/45/499277945.db2.gz AINNEOZQLCRNNF-SFHVURJKSA-N -1 3 351.381 3.491 20 0 FGADHM O=S(=O)([N-][C@H](c1ccccc1)c1ccncc1)c1cncc(Cl)c1 ZINC000371107193 499289070 /nfs/dbraw/zinc/28/90/70/499289070.db2.gz DAUVRTYGYOXTCG-QGZVFWFLSA-N -1 3 359.838 3.198 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC[C@@H](c4cc(C)[nH]n4)C3)nc2)n1 ZINC000371202521 499298024 /nfs/dbraw/zinc/29/80/24/499298024.db2.gz KHFCKEUSUSFUKO-OAHLLOKOSA-N -1 3 364.453 3.222 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC[C@@H](c4cc(C)n[nH]4)C3)nc2)n1 ZINC000371202521 499298026 /nfs/dbraw/zinc/29/80/26/499298026.db2.gz KHFCKEUSUSFUKO-OAHLLOKOSA-N -1 3 364.453 3.222 20 0 FGADHM O=C(N=c1[nH][n-]cc1Br)[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000582138093 506142657 /nfs/dbraw/zinc/14/26/57/506142657.db2.gz XLHOSKRESLNYKL-UONOGXRCSA-N -1 3 356.223 3.490 20 0 FGADHM Cc1ccccc1NC1CCN(C(=O)CCc2c(C)nc(C)[n-]c2=O)CC1 ZINC000368873885 499342259 /nfs/dbraw/zinc/34/22/59/499342259.db2.gz AIJUHSAYBKNZOM-UHFFFAOYSA-N -1 3 368.481 3.143 20 0 FGADHM Cn1cc([C@@H]([N-]S(=O)(=O)c2ccc(Cl)s2)c2ccccc2)cn1 ZINC000371754790 499362142 /nfs/dbraw/zinc/36/21/42/499362142.db2.gz VOTSFCHSPNUIRS-HNNXBMFYSA-N -1 3 367.883 3.203 20 0 FGADHM O=C([N-]c1ncn(-c2cccnc2)n1)c1cc(C(F)(F)F)ccc1F ZINC000371784012 499365251 /nfs/dbraw/zinc/36/52/51/499365251.db2.gz OPIPHCOBDNVPIY-UHFFFAOYSA-N -1 3 351.263 3.073 20 0 FGADHM COc1cc(C(=O)N2CCCC[C@@H]2c2noc(C3CC3)n2)cc(OC)c1[O-] ZINC000371999940 499388498 /nfs/dbraw/zinc/38/84/98/499388498.db2.gz RSKDXQJPUHYGTH-CYBMUJFWSA-N -1 3 373.409 3.037 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCCC[C@@H](CCOC)C3)nc2)n1 ZINC000372035945 499391812 /nfs/dbraw/zinc/39/18/12/499391812.db2.gz GKNAYJMFQRWPTF-HNNXBMFYSA-N -1 3 356.470 3.450 20 0 FGADHM O=c1[n-]nc(SCCc2ncc(-c3ccccc3)o2)n1C[C@@H]1CCCO1 ZINC000369330721 499392108 /nfs/dbraw/zinc/39/21/08/499392108.db2.gz GHIZWQIEIOANPR-AWEZNQCLSA-N -1 3 372.450 3.153 20 0 FGADHM O=C(N[C@H](c1ccccc1)C1CCOCC1)c1cc(=O)c2ccccc2[n-]1 ZINC000369354367 499394769 /nfs/dbraw/zinc/39/47/69/499394769.db2.gz LNHYWFLOYXMFKP-OAQYLSRUSA-N -1 3 362.429 3.426 20 0 FGADHM CS(=O)(=O)[N-]c1cc(NC(=O)[C@@H]2CCCc3sccc32)ccc1F ZINC000372111303 499400147 /nfs/dbraw/zinc/40/01/47/499400147.db2.gz QQEIEJMKPJMJBO-GFCCVEGCSA-N -1 3 368.455 3.317 20 0 FGADHM CC(C)[C@@H]1CCCCN1C(=O)NC1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000369424840 499402136 /nfs/dbraw/zinc/40/21/36/499402136.db2.gz VNIWAYAPRBLHNU-IBGZPJMESA-N -1 3 373.497 3.217 20 0 FGADHM CC(C)C[C@@H](C)S(=O)(=O)[N-][C@@H](c1noc(C2CC2)n1)c1ccccc1 ZINC000369448005 499404322 /nfs/dbraw/zinc/40/43/22/499404322.db2.gz RWEDRBAMTRNACG-CZUORRHYSA-N -1 3 363.483 3.390 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N3CCC[C@H]3c3nccs3)c[n-]c12 ZINC000372193384 499407351 /nfs/dbraw/zinc/40/73/51/499407351.db2.gz PVISODLPYHGNPP-AWEZNQCLSA-N -1 3 357.410 3.409 20 0 FGADHM Cc1c(-c2ccncc2)[n-][nH]c1=NC(=O)[C@H](C)c1cn(C)c2ccccc12 ZINC000372328474 499421290 /nfs/dbraw/zinc/42/12/90/499421290.db2.gz ZQDMQLZHBXFQLG-CYBMUJFWSA-N -1 3 359.433 3.436 20 0 FGADHM CC[C@H](C)[C@H](NCc1cc(OC)c(OC)cc1Br)C(=O)[O-] ZINC000570346332 506146081 /nfs/dbraw/zinc/14/60/81/506146081.db2.gz UMMCNOKINIZLNO-XPTSAGLGSA-N -1 3 360.248 3.055 20 0 FGADHM CSc1ccc(C(=O)N2CCC(c3noc(C4CC4)n3)CC2)c([O-])c1 ZINC000373063559 499449686 /nfs/dbraw/zinc/44/96/86/499449686.db2.gz NRRINCHKBYONRU-UHFFFAOYSA-N -1 3 359.451 3.394 20 0 FGADHM Cc1ncc(S(=O)(=O)[N-][C@@H](c2ccc(F)cc2)c2cccnc2)s1 ZINC000378282186 499497737 /nfs/dbraw/zinc/49/77/37/499497737.db2.gz MDHORZKKDCXONV-INIZCTEOSA-N -1 3 363.439 3.054 20 0 FGADHM O=C(N[C@H]1CCN(c2ccc(Cl)cc2)C1)c1cc(=O)c2ccccc2[n-]1 ZINC000378470755 499521228 /nfs/dbraw/zinc/52/12/28/499521228.db2.gz KKIWOCKPEFKYIS-AWEZNQCLSA-N -1 3 367.836 3.190 20 0 FGADHM CC(C)c1nccc(C2CCN(C(=O)/C=C/c3cncc([O-])c3)CC2)n1 ZINC000378606697 499537019 /nfs/dbraw/zinc/53/70/19/499537019.db2.gz MKQWBZTXBNDPSN-ONEGZZNKSA-N -1 3 352.438 3.120 20 0 FGADHM O=S(=O)([N-]Cc1ccc2c(c1)CCCN2)c1cccc(Cl)c1F ZINC000381486580 499544932 /nfs/dbraw/zinc/54/49/32/499544932.db2.gz PAYPZZOZHGHEST-UHFFFAOYSA-N -1 3 354.834 3.316 20 0 FGADHM CO[C@H](C)c1nsc(=NC[C@@H]2CCCN(Cc3cccs3)C2)[n-]1 ZINC000375698663 499546884 /nfs/dbraw/zinc/54/68/84/499546884.db2.gz ULHWZQUJUWOKOA-OLZOCXBDSA-N -1 3 352.529 3.053 20 0 FGADHM CO[C@H](C)c1nc(=NC[C@@H]2CCCN(Cc3cccs3)C2)s[n-]1 ZINC000375698663 499546885 /nfs/dbraw/zinc/54/68/85/499546885.db2.gz ULHWZQUJUWOKOA-OLZOCXBDSA-N -1 3 352.529 3.053 20 0 FGADHM CSC1(C[N-]S(=O)(=O)c2c(Cl)cccc2Br)CC1 ZINC000385433666 499548264 /nfs/dbraw/zinc/54/82/64/499548264.db2.gz OGWWOWVRBUCFSL-UHFFFAOYSA-N -1 3 370.721 3.276 20 0 FGADHM O=S(=O)([N-]C1CCC(F)(F)CC1)c1ccccc1Br ZINC000390457509 499554816 /nfs/dbraw/zinc/55/48/16/499554816.db2.gz DCKAFCFZEHJRGP-UHFFFAOYSA-N -1 3 354.216 3.305 20 0 FGADHM COCCC(C)(C)[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000398287515 499567266 /nfs/dbraw/zinc/56/72/66/499567266.db2.gz JQVDKGLZRQODHP-UHFFFAOYSA-N -1 3 370.696 3.196 20 0 FGADHM O=C(c1cc(OCc2ccccc2)ccc1[O-])N1CCC[C@@]12CCOC2 ZINC000375969439 499572521 /nfs/dbraw/zinc/57/25/21/499572521.db2.gz PFKCZFYXDJNHCA-NRFANRHFSA-N -1 3 353.418 3.366 20 0 FGADHM O=C(c1cc([O-])c2ccccc2c1)N1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000376151550 499586803 /nfs/dbraw/zinc/58/68/03/499586803.db2.gz WGOOSAURASQUID-HNAYVOBHSA-N -1 3 364.445 3.161 20 0 FGADHM C[C@H]([N-]S(=O)(=O)N(C)C1CCCCC1)c1nc(C2CCCCC2)no1 ZINC000408403941 499586983 /nfs/dbraw/zinc/58/69/83/499586983.db2.gz GXJYYEUSGUPOLB-ZDUSSCGKSA-N -1 3 370.519 3.277 20 0 FGADHM COc1cc(C(=O)N2CCN(C3CCC(C)CC3)CC2)cc(Cl)c1[O-] ZINC000408430377 499588425 /nfs/dbraw/zinc/58/84/25/499588425.db2.gz SSXCJIHVQFMBPG-UHFFFAOYSA-N -1 3 366.889 3.391 20 0 FGADHM CC(=O)N1Cc2ccc(NC(=O)c3cn[n-]c3-c3ccsc3)cc2C1 ZINC000376246291 499594297 /nfs/dbraw/zinc/59/42/97/499594297.db2.gz YVXNTECSQHYBSY-UHFFFAOYSA-N -1 3 352.419 3.253 20 0 FGADHM CC(=O)N1Cc2ccc(NC(=O)c3c[n-]nc3-c3ccsc3)cc2C1 ZINC000376246291 499594299 /nfs/dbraw/zinc/59/42/99/499594299.db2.gz YVXNTECSQHYBSY-UHFFFAOYSA-N -1 3 352.419 3.253 20 0 FGADHM O=C(c1cc([O-])c2ccccc2c1)N1CCC(OC2CCOCC2)CC1 ZINC000376501440 499612927 /nfs/dbraw/zinc/61/29/27/499612927.db2.gz PPMOJIYAVZGFPI-UHFFFAOYSA-N -1 3 355.434 3.346 20 0 FGADHM CCCCc1nc(C(=O)OCC)c(NC(=O)COc2ccsc2)[n-]1 ZINC000409966276 499632805 /nfs/dbraw/zinc/63/28/05/499632805.db2.gz XAIBXSRFZRMCPX-UHFFFAOYSA-N -1 3 351.428 3.008 20 0 FGADHM CCCCc1nc(NC(=O)COc2ccsc2)c(C(=O)OCC)[n-]1 ZINC000409966276 499632806 /nfs/dbraw/zinc/63/28/06/499632806.db2.gz XAIBXSRFZRMCPX-UHFFFAOYSA-N -1 3 351.428 3.008 20 0 FGADHM COc1cc([C@@H]2CCCN2C(=O)c2ccc(O)cc2[O-])cc(OC)c1OC ZINC000376846164 499640345 /nfs/dbraw/zinc/64/03/45/499640345.db2.gz QCPFQVSJPBGYPG-HNNXBMFYSA-N -1 3 373.405 3.101 20 0 FGADHM Cc1cc(C)cc(CS(=O)(=O)[N-][C@H](c2nc(C3CC3)no2)C(C)C)c1 ZINC000410121269 499643438 /nfs/dbraw/zinc/64/34/38/499643438.db2.gz WGHZGPDJUUMEAJ-INIZCTEOSA-N -1 3 363.483 3.381 20 0 FGADHM CC(C)[C@H]([N-]S(=O)(=O)c1cccc2c1OC(C)(C)C2)C(F)(F)F ZINC000410330445 499655253 /nfs/dbraw/zinc/65/52/53/499655253.db2.gz OETYVUXLOGNJRJ-ZDUSSCGKSA-N -1 3 351.390 3.265 20 0 FGADHM COC(=O)c1sc([N-]C(=O)c2cc(Br)co2)nc1C1CC1 ZINC000410625828 499671290 /nfs/dbraw/zinc/67/12/90/499671290.db2.gz PBIYYSFNFVYWIA-UHFFFAOYSA-N -1 3 371.212 3.415 20 0 FGADHM Cc1nc(C)c(CCC(=O)Nc2cc(Cl)cnc2OC(C)C)c(=O)[n-]1 ZINC000411048270 499692853 /nfs/dbraw/zinc/69/28/53/499692853.db2.gz OGNNLVSSCVBBHH-UHFFFAOYSA-N -1 3 364.833 3.206 20 0 FGADHM CCOc1cc(-c2noc([C@H]3CN(C)C(=O)c4ccccc43)n2)ccc1[O-] ZINC000377469745 499693914 /nfs/dbraw/zinc/69/39/14/499693914.db2.gz ISLVQMMPLHOMPV-HNNXBMFYSA-N -1 3 365.389 3.058 20 0 FGADHM CCCC1CCC(NC(=O)C(=O)[N-]c2nccn2-c2ccccc2)CC1 ZINC000411178997 499707490 /nfs/dbraw/zinc/70/74/90/499707490.db2.gz AXYIOYNFHUMALK-UHFFFAOYSA-N -1 3 354.454 3.286 20 0 FGADHM O=C1[C@H](c2nc(-c3ccc([O-])cc3)no2)CCN1c1ccc(F)c(F)c1 ZINC000377594476 499707886 /nfs/dbraw/zinc/70/78/86/499707886.db2.gz XBRJMNARQJYKBI-ZDUSSCGKSA-N -1 3 357.316 3.241 20 0 FGADHM CC(=O)c1ccc(C(=O)N[C@H](CN2CCCC2)c2ccccc2)cc1[O-] ZINC000411315361 499725184 /nfs/dbraw/zinc/72/51/84/499725184.db2.gz HVNJHJXGWYYHDR-LJQANCHMSA-N -1 3 352.434 3.162 20 0 FGADHM O=C([N-]c1nccn1-c1ccccc1)C(=O)N(CC1CC1)C1CCCCC1 ZINC000411401336 499734977 /nfs/dbraw/zinc/73/49/77/499734977.db2.gz XAGWSQRVMJEWDN-UHFFFAOYSA-N -1 3 366.465 3.382 20 0 FGADHM O=C([N-]c1nccn1-c1ccccc1)C(=O)N1CCCC12CCCCC2 ZINC000411418830 499737729 /nfs/dbraw/zinc/73/77/29/499737729.db2.gz FZCUXPXROSBYKG-UHFFFAOYSA-N -1 3 352.438 3.136 20 0 FGADHM C[C@H](CCCC(F)(F)F)NC(=O)C(=O)[N-]c1nccn1-c1ccccc1 ZINC000411462170 499743675 /nfs/dbraw/zinc/74/36/75/499743675.db2.gz XOGPFSHNCZZKGV-GFCCVEGCSA-N -1 3 368.359 3.048 20 0 FGADHM CC(=O)c1ccc(C(=O)N[C@H](c2ccc(F)cc2)[C@H]2CCCO2)cc1[O-] ZINC000411586161 499766328 /nfs/dbraw/zinc/76/63/28/499766328.db2.gz NJOYLRNPKCFRDV-RTBURBONSA-N -1 3 357.381 3.384 20 0 FGADHM C[C@H](CCc1ccccc1)N[C@H]1CCN([C@@H](C(=O)[O-])c2ccccc2)C1=O ZINC000414659690 499818035 /nfs/dbraw/zinc/81/80/35/499818035.db2.gz OHPFHMWFNROAMW-LSTHTHJFSA-N -1 3 366.461 3.024 20 0 FGADHM O=C(NC[C@H]1CCCC[C@H]1C(F)(F)F)c1c[n-]c2ccncc2c1=O ZINC000412157724 499828876 /nfs/dbraw/zinc/82/88/76/499828876.db2.gz GYZYCMVKSBWHHS-ZWNOBZJWSA-N -1 3 353.344 3.022 20 0 FGADHM CC(=O)c1ccc(C(=O)N2CCC[C@](CO)(Cc3ccccc3)C2)cc1[O-] ZINC000412354611 499848114 /nfs/dbraw/zinc/84/81/14/499848114.db2.gz KCRRJIHQXMPGCC-QFIPXVFZSA-N -1 3 367.445 3.052 20 0 FGADHM CC(=O)c1ccc(C(=O)Nc2ccc3c(c2)nc(C)n3[C@@H](C)CO)cc1[O-] ZINC000412401277 499852057 /nfs/dbraw/zinc/85/20/57/499852057.db2.gz MAFSKTMWIKULHP-NSHDSACASA-N -1 3 367.405 3.059 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)NCC2(c3c(F)cccc3F)CCC2)c1 ZINC000412598704 499867147 /nfs/dbraw/zinc/86/71/47/499867147.db2.gz HNAPWGDYRWCOBD-UHFFFAOYSA-N -1 3 374.387 3.481 20 0 FGADHM CCc1ccc(C(=O)N2CC[C@@]3(C2)CC(=O)c2ccccc2O3)c([O-])c1 ZINC000412660133 499873323 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CCOCc1nc(C)c(C(=O)[N-]c2n[nH]c(-c3ccc(C)cc3)n2)s1 ZINC000448955669 500880509 /nfs/dbraw/zinc/88/05/09/500880509.db2.gz NGXBVMJBPFCMBK-UHFFFAOYSA-N -1 3 357.439 3.334 20 0 FGADHM C[C@@H](NC(=O)CCc1ccc2ccccc2c1[O-])C(=O)N1CCCC[C@H]1C ZINC000448983363 500886670 /nfs/dbraw/zinc/88/66/70/500886670.db2.gz ZWGZJJLRWDLKFW-HZPDHXFCSA-N -1 3 368.477 3.384 20 0 FGADHM CC[C@@H](CC(F)(F)F)C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000448985266 500886935 /nfs/dbraw/zinc/88/69/35/500886935.db2.gz WKWDQKQDYFJORC-LBPRGKRZSA-N -1 3 372.387 3.092 20 0 FGADHM O=S(=O)([N-]C[C@@H]1CCCCN1C1CC1)c1cc(Cl)ccc1Cl ZINC000434771511 500892283 /nfs/dbraw/zinc/89/22/83/500892283.db2.gz DCULCDJAAOJGSK-ZDUSSCGKSA-N -1 3 363.310 3.289 20 0 FGADHM CCOC(=O)c1nc(C2CCN(Cc3cc(Cl)ccc3F)CC2)n[n-]1 ZINC000444810750 500904592 /nfs/dbraw/zinc/90/45/92/500904592.db2.gz GZCDZYYCAPAPOZ-UHFFFAOYSA-N -1 3 366.824 3.154 20 0 FGADHM CCOC(=O)c1nnc(C2CCN(Cc3cc(Cl)ccc3F)CC2)[n-]1 ZINC000444810750 500904596 /nfs/dbraw/zinc/90/45/96/500904596.db2.gz GZCDZYYCAPAPOZ-UHFFFAOYSA-N -1 3 366.824 3.154 20 0 FGADHM Cc1ccccc1-c1ccccc1CN1CCN(c2nc(=N)[n-]s2)CC1 ZINC000449050222 500911661 /nfs/dbraw/zinc/91/16/61/500911661.db2.gz SZIAKBYYUDYWRT-UHFFFAOYSA-N -1 3 365.506 3.248 20 0 FGADHM COC(=O)c1cc(C(=O)[N-]c2ccc3oc(CC(C)(C)C)nc3c2)on1 ZINC000611589081 506224142 /nfs/dbraw/zinc/22/41/42/506224142.db2.gz DQCXOOUZFFICJV-UHFFFAOYSA-N -1 3 357.366 3.443 20 0 FGADHM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@H](C)c2cccc(C)c2)cc1F ZINC000445066143 500940058 /nfs/dbraw/zinc/94/00/58/500940058.db2.gz OTQAIYOSJBYZHH-ZDUSSCGKSA-N -1 3 365.426 3.003 20 0 FGADHM O=S(=O)([N-]CC1CCN(C2CC2)CC1)c1c(Cl)cccc1Cl ZINC000445067348 500940078 /nfs/dbraw/zinc/94/00/78/500940078.db2.gz SUXRYKJIJGYCIB-UHFFFAOYSA-N -1 3 363.310 3.146 20 0 FGADHM Cc1nc(S(=O)(=O)[N-]CC(C)(C)N[C@H](C)c2ccccc2)sc1C ZINC000435216006 500944899 /nfs/dbraw/zinc/94/48/99/500944899.db2.gz IIYYCVRNUZHVMA-CYBMUJFWSA-N -1 3 367.540 3.168 20 0 FGADHM CC1(C)CCC[C@H]1[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000435219848 500945125 /nfs/dbraw/zinc/94/51/25/500945125.db2.gz IMTWLLMPMHEZJY-GFCCVEGCSA-N -1 3 350.253 3.445 20 0 FGADHM CCCc1cc(=O)[n-]c(C(=Cc2ccc(OCC(=O)OC)cc2)CC)n1 ZINC000435334365 500956768 /nfs/dbraw/zinc/95/67/68/500956768.db2.gz AANTYPBJIDLLLA-RVDMUPIBSA-N -1 3 356.422 3.225 20 0 FGADHM CCCC(O)(CCC)CC(=O)Nc1nnc(-c2c(F)cccc2F)[n-]1 ZINC000439970891 500961438 /nfs/dbraw/zinc/96/14/38/500961438.db2.gz IKTNGLBXWWFAFE-UHFFFAOYSA-N -1 3 352.385 3.410 20 0 FGADHM CCCC(O)(CCC)CC(=O)Nc1nc(-c2c(F)cccc2F)n[n-]1 ZINC000439970891 500961440 /nfs/dbraw/zinc/96/14/40/500961440.db2.gz IKTNGLBXWWFAFE-UHFFFAOYSA-N -1 3 352.385 3.410 20 0 FGADHM CCCC(O)(CCC)CC(=O)Nc1n[n-]c(-c2c(F)cccc2F)n1 ZINC000439970891 500961442 /nfs/dbraw/zinc/96/14/42/500961442.db2.gz IKTNGLBXWWFAFE-UHFFFAOYSA-N -1 3 352.385 3.410 20 0 FGADHM Cc1ccc(-c2nc(-c3cccc(N4CCNC4=O)c3)no2)c([O-])c1C ZINC000445306291 500970681 /nfs/dbraw/zinc/97/06/81/500970681.db2.gz YRPUHJAGYMZULU-UHFFFAOYSA-N -1 3 350.378 3.256 20 0 FGADHM CS(=O)(=O)[N-]c1cc(-c2nc(-c3c[nH]c4ccccc34)no2)ccc1F ZINC000445444663 500987001 /nfs/dbraw/zinc/98/70/01/500987001.db2.gz XHEMZVZOVXYOGS-UHFFFAOYSA-N -1 3 372.381 3.396 20 0 FGADHM COc1ccc(Cc2noc(-c3cc(OC)c([O-])c(OC)c3)n2)c(F)c1 ZINC000445559234 501001498 /nfs/dbraw/zinc/00/14/98/501001498.db2.gz TVXYLFALYQHBIL-UHFFFAOYSA-N -1 3 360.341 3.198 20 0 FGADHM Cc1cc(S(=O)(=O)[N-][C@@H](c2ccccc2)[C@@H]2CCCO2)c(F)cc1F ZINC000440383042 501002579 /nfs/dbraw/zinc/00/25/79/501002579.db2.gz ODSWSAKHFUYISX-WMZOPIPTSA-N -1 3 367.417 3.472 20 0 FGADHM C[S@@](=O)C1(C[N-]S(=O)(=O)c2c(Cl)ccc3ccccc32)CCC1 ZINC000435621516 501004048 /nfs/dbraw/zinc/00/40/48/501004048.db2.gz LWNLANQTDNTCGU-JOCHJYFZSA-N -1 3 371.911 3.073 20 0 FGADHM O=S(=O)([N-]CCOCC(F)(F)F)c1c(Cl)ccc2ccccc21 ZINC000440403518 501005612 /nfs/dbraw/zinc/00/56/12/501005612.db2.gz SNZSJFIGZVHRMC-UHFFFAOYSA-N -1 3 367.776 3.350 20 0 FGADHM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2c(Cl)ccc3ccccc32)CCN1C ZINC000440412140 501006375 /nfs/dbraw/zinc/00/63/75/501006375.db2.gz GTEBLIKXOLXPED-JSGCOSHPSA-N -1 3 352.887 3.254 20 0 FGADHM COCCOc1ccc(S(=O)(=O)[N-]c2cc(C)c(OC)cc2C)cc1 ZINC000435722897 501017575 /nfs/dbraw/zinc/01/75/75/501017575.db2.gz LTIVNSSBNQNKPC-UHFFFAOYSA-N -1 3 365.451 3.138 20 0 FGADHM CN(Cc1ccccc1)C(=O)Cc1noc(Cc2ccc([O-])cc2Cl)n1 ZINC000445678794 501018295 /nfs/dbraw/zinc/01/82/95/501018295.db2.gz RZKRLWREXKRVSV-UHFFFAOYSA-N -1 3 371.824 3.221 20 0 FGADHM CC(C)N(C)c1ccccc1C[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000445742282 501027102 /nfs/dbraw/zinc/02/71/02/501027102.db2.gz MWPFZVCRYCMVHV-UHFFFAOYSA-N -1 3 354.422 3.288 20 0 FGADHM Cc1nc(-c2ccc(NC(=O)Nc3cc(C(C)C)on3)cc2)cc(=O)[n-]1 ZINC000440721392 501042609 /nfs/dbraw/zinc/04/26/09/501042609.db2.gz HIWVLJQWTJYIDH-UHFFFAOYSA-N -1 3 353.382 3.335 20 0 FGADHM CC(C)(C)O[C@@H]1C[C@@H](NCc2c(F)ccc([O-])c2F)[C@H]1n1cccn1 ZINC000449656755 501051575 /nfs/dbraw/zinc/05/15/75/501051575.db2.gz MESQUENYPIRVQV-FRFSOERESA-N -1 3 351.397 3.154 20 0 FGADHM COc1ccc(CN2CCC[C@@]3(CCOC3)C2)c(Br)c1[O-] ZINC000449678052 501060242 /nfs/dbraw/zinc/06/02/42/501060242.db2.gz DPNDTKTVTQHDAF-MRXNPFEDSA-N -1 3 356.260 3.166 20 0 FGADHM O=C(Nc1nnc(-c2ccccn2)[n-]1)c1cc(F)cc(C(F)(F)F)c1 ZINC000446014204 501062581 /nfs/dbraw/zinc/06/25/81/501062581.db2.gz XBKLKAVSIAHDGT-UHFFFAOYSA-N -1 3 351.263 3.277 20 0 FGADHM O=C(Nc1nc(-c2ccccn2)n[n-]1)c1cc(F)cc(C(F)(F)F)c1 ZINC000446014204 501062583 /nfs/dbraw/zinc/06/25/83/501062583.db2.gz XBKLKAVSIAHDGT-UHFFFAOYSA-N -1 3 351.263 3.277 20 0 FGADHM O=C(Nc1n[n-]c(-c2ccccn2)n1)c1cc(F)cc(C(F)(F)F)c1 ZINC000446014204 501062586 /nfs/dbraw/zinc/06/25/86/501062586.db2.gz XBKLKAVSIAHDGT-UHFFFAOYSA-N -1 3 351.263 3.277 20 0 FGADHM CC(C)[C@H](C(=O)Nc1ccc([O-])c(C(F)(F)F)c1)N1C[C@@H](C)O[C@H](C)C1 ZINC000440990549 501072347 /nfs/dbraw/zinc/07/23/47/501072347.db2.gz WEFAPJRPRFNLQH-XHBSWPGZSA-N -1 3 374.403 3.483 20 0 FGADHM COc1ccc(OCCS(=O)(=O)[N-]c2cc3[nH]ccc3cc2C)cc1 ZINC000436172113 501083373 /nfs/dbraw/zinc/08/33/73/501083373.db2.gz MRUOQCITQBJMQC-UHFFFAOYSA-N -1 3 360.435 3.306 20 0 FGADHM COCc1nc(CNC(=O)c2ccc(O)cc2[O-])c(-c2ccccc2)s1 ZINC000441132627 501092492 /nfs/dbraw/zinc/09/24/92/501092492.db2.gz FXJSWIPPCWWORO-UHFFFAOYSA-N -1 3 370.430 3.298 20 0 FGADHM C[C@H](NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F)c1ccccc1F ZINC000441335946 501122693 /nfs/dbraw/zinc/12/26/93/501122693.db2.gz ZLKFDYPZSMIHHA-NSHDSACASA-N -1 3 374.840 3.247 20 0 FGADHM Cc1ccc(-c2ncccc2NC(=O)NCc2cnc(C)[n-]c2=O)s1 ZINC000446571376 501134683 /nfs/dbraw/zinc/13/46/83/501134683.db2.gz IHJBUOWTULOHLM-UHFFFAOYSA-N -1 3 355.423 3.244 20 0 FGADHM CCOC(=O)CC1(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)CC1 ZINC000436480382 501135658 /nfs/dbraw/zinc/13/56/58/501135658.db2.gz VUPGGWDPWSSHGD-UHFFFAOYSA-N -1 3 352.239 3.221 20 0 FGADHM O=C(NCC[C@@H](O)C(F)(F)F)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436484845 501136762 /nfs/dbraw/zinc/13/67/62/501136762.db2.gz FSUVCDDWUBSIAY-MRXNPFEDSA-N -1 3 353.340 3.026 20 0 FGADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N[C@@H]3CCC[C@H]3C)cs2)c1 ZINC000436495593 501139182 /nfs/dbraw/zinc/13/91/82/501139182.db2.gz NWNIEVVLSIRQDG-IUODEOHRSA-N -1 3 373.478 3.257 20 0 FGADHM Cc1c(NC(=O)c2cccc(C)c2[O-])nnn1CCOc1ccc(F)cc1 ZINC000436498539 501140109 /nfs/dbraw/zinc/14/01/09/501140109.db2.gz WPKGZVBSDKQMKU-UHFFFAOYSA-N -1 3 370.384 3.071 20 0 FGADHM CC(C)(C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)C1CCC1 ZINC000449975961 501142465 /nfs/dbraw/zinc/14/24/65/501142465.db2.gz ARONXUANWYOEEH-UHFFFAOYSA-N -1 3 354.447 3.031 20 0 FGADHM COc1cccc(C(=O)N(CCc2ccccn2)Cc2cccnc2)c1[O-] ZINC000436509882 501143935 /nfs/dbraw/zinc/14/39/35/501143935.db2.gz CGFMCWVMNVPPSS-UHFFFAOYSA-N -1 3 363.417 3.076 20 0 FGADHM Cc1cccc(C(=O)N[C@H](c2nc(-c3ccncc3)no2)C(C)C)c1[O-] ZINC000436511500 501144253 /nfs/dbraw/zinc/14/42/53/501144253.db2.gz ILYMYTIZPNHVNV-HNNXBMFYSA-N -1 3 352.394 3.273 20 0 FGADHM CCc1ccc(C(=O)N[C@@H](Cn2ccccc2=O)c2ccccc2)c([O-])c1 ZINC000436515871 501145517 /nfs/dbraw/zinc/14/55/17/501145517.db2.gz RYJTWFJBCLVZAK-IBGZPJMESA-N -1 3 362.429 3.288 20 0 FGADHM Cc1ccn2c(c1)nnc2[N-]C(=O)c1c(F)cc(Br)cc1F ZINC000446642032 501146424 /nfs/dbraw/zinc/14/64/24/501146424.db2.gz LOJOYRIMNUNENT-UHFFFAOYSA-N -1 3 367.153 3.331 20 0 FGADHM CSC[C@@](C)(O)CNC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436526156 501148009 /nfs/dbraw/zinc/14/80/09/501148009.db2.gz DYSWQKNLEHZODO-FQEVSTJZSA-N -1 3 359.491 3.021 20 0 FGADHM CCOC(=O)c1c(C(C)C)csc1[N-]C(=O)C(=O)N1CCC12CCC2 ZINC000441510736 501150057 /nfs/dbraw/zinc/15/00/57/501150057.db2.gz DGVFUIHXRLILOC-UHFFFAOYSA-N -1 3 364.467 3.142 20 0 FGADHM CSc1ccccc1NC(=O)CN(C)C(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000436534856 501150323 /nfs/dbraw/zinc/15/03/23/501150323.db2.gz YKKRJABHSVGEBE-UHFFFAOYSA-N -1 3 372.446 3.027 20 0 FGADHM C[C@@](NC(=O)c1cc(Cc2ccccc2)ccc1[O-])(C(N)=O)c1ccccc1 ZINC000436539344 501151159 /nfs/dbraw/zinc/15/11/59/501151159.db2.gz OBYVOYFPEIQXDU-QHCPKHFHSA-N -1 3 374.440 3.114 20 0 FGADHM CCCc1ccc([C@H](C)N(CC(N)=O)C(=O)c2cc(C)ccc2[O-])cc1 ZINC000436549894 501154198 /nfs/dbraw/zinc/15/41/98/501154198.db2.gz RESPIBVWGHEYHS-HNNXBMFYSA-N -1 3 354.450 3.342 20 0 FGADHM CC(C)c1ccc(C(=O)N[C@@H](CC(=O)N(C)C)c2ccccc2)c([O-])c1 ZINC000436551523 501155221 /nfs/dbraw/zinc/15/52/21/501155221.db2.gz OCLIHVQXYJTVKH-SFHVURJKSA-N -1 3 354.450 3.465 20 0 FGADHM Cc1cccc(C(=O)N2CSC[C@@H]2C(=O)N[C@@H](C)CCC(C)C)c1[O-] ZINC000436560515 501156707 /nfs/dbraw/zinc/15/67/07/501156707.db2.gz DIEXBGGEJDEBOC-GOEBONIOSA-N -1 3 364.511 3.157 20 0 FGADHM C[C@H](O)CC(C)(C)CNC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436575233 501160161 /nfs/dbraw/zinc/16/01/61/501160161.db2.gz NFNZEEXTRFQDFD-HNNXBMFYSA-N -1 3 357.450 3.498 20 0 FGADHM Cc1cccc(-c2nnc3n2C[C@@H](C(=O)Nc2cc(F)ccc2[O-])CC3)c1 ZINC000450038713 501161114 /nfs/dbraw/zinc/16/11/14/501161114.db2.gz BCRFBYOLVKRMKS-AWEZNQCLSA-N -1 3 366.396 3.299 20 0 FGADHM CC(C)c1ccc(C(=O)Nc2ccc(NC(=O)CN(C)C)cc2)c([O-])c1 ZINC000436583521 501163016 /nfs/dbraw/zinc/16/30/16/501163016.db2.gz HJYVBQRUUUDPOV-UHFFFAOYSA-N -1 3 355.438 3.268 20 0 FGADHM Cc1ccc(C(=O)N2CCN(Cc3cccc(Cl)c3)C(=O)C2)c([O-])c1C ZINC000436584130 501163159 /nfs/dbraw/zinc/16/31/59/501163159.db2.gz PFBDSUYFKSNKTO-UHFFFAOYSA-N -1 3 372.852 3.147 20 0 FGADHM CC1(C)Cc2ccc(C(=O)N[C@@H]3CCCC[C@H]3n3cccn3)c([O-])c2O1 ZINC000436590380 501165314 /nfs/dbraw/zinc/16/53/14/501165314.db2.gz YNZRWSSUTBKXDH-HZPDHXFCSA-N -1 3 355.438 3.216 20 0 FGADHM O=C(Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)[C@H]1CCC(=O)NC1 ZINC000436600664 501167337 /nfs/dbraw/zinc/16/73/37/501167337.db2.gz AJKSEOFRMOKSJN-NSHDSACASA-N -1 3 367.430 3.134 20 0 FGADHM O=C(Nc1ccc(N2CCCC2=O)cn1)c1cc2c(cc1[O-])CCCC2 ZINC000436609375 501168911 /nfs/dbraw/zinc/16/89/11/501168911.db2.gz WJMAXJIYIQAYAR-UHFFFAOYSA-N -1 3 351.406 3.045 20 0 FGADHM Cn1c2ccc(F)cc2nc1[N-]S(=O)(=O)Cc1cc(Cl)ccc1F ZINC000446823848 501169155 /nfs/dbraw/zinc/16/91/55/501169155.db2.gz QHQUNXCRNSPDSZ-UHFFFAOYSA-N -1 3 371.796 3.447 20 0 FGADHM NC(=O)NCc1ccc(-c2nc(-c3ccc([O-])c4ccccc34)no2)cc1 ZINC000436613890 501170036 /nfs/dbraw/zinc/17/00/36/501170036.db2.gz TVMYACUKQQSRRW-UHFFFAOYSA-N -1 3 360.373 3.431 20 0 FGADHM CC[C@H](C)NC(=O)[C@H](C)NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436611687 501170072 /nfs/dbraw/zinc/17/00/72/501170072.db2.gz LLTKGSOPBANDRY-GJZGRUSLSA-N -1 3 354.450 3.016 20 0 FGADHM COc1cccc(C(=O)NC2(Cc3cccc(F)c3)CCOCC2)c1[O-] ZINC000436617499 501170583 /nfs/dbraw/zinc/17/05/83/501170583.db2.gz NQEYMSONUOQNAZ-UHFFFAOYSA-N -1 3 359.397 3.062 20 0 FGADHM Cc1ccc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)c([O-])c1C ZINC000436622731 501171938 /nfs/dbraw/zinc/17/19/38/501171938.db2.gz FDTJGGYBNIUIOA-RMKNXTFCSA-N -1 3 350.462 3.480 20 0 FGADHM Cc1cccc([C@H](C)NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])c1C ZINC000436626212 501172917 /nfs/dbraw/zinc/17/29/17/501172917.db2.gz ONLCXKYNZWEWLI-LPHOPBHVSA-N -1 3 366.461 3.491 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N(CC2CC2)c2ccccc2)c([O-])c1 ZINC000436642049 501176286 /nfs/dbraw/zinc/17/62/86/501176286.db2.gz ZCXCMRYABCXSEQ-UHFFFAOYSA-N -1 3 352.434 3.264 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N(C)Cc2cc3ccccc3o2)c([O-])c1 ZINC000436640102 501176736 /nfs/dbraw/zinc/17/67/36/501176736.db2.gz TYSXXPMSLTWVEG-UHFFFAOYSA-N -1 3 366.417 3.225 20 0 FGADHM O=C(NCC1(c2ccc3c(c2)OCCO3)CCCC1)c1c([O-])cccc1O ZINC000436645125 501177059 /nfs/dbraw/zinc/17/70/59/501177059.db2.gz ATZMWKHSNLDANX-UHFFFAOYSA-N -1 3 369.417 3.111 20 0 FGADHM CC(C)c1nn(-c2ccccc2)cc1CNC(=O)c1c([O-])cccc1O ZINC000436649956 501178907 /nfs/dbraw/zinc/17/89/07/501178907.db2.gz XBLSNJBVZGCKFZ-UHFFFAOYSA-N -1 3 351.406 3.337 20 0 FGADHM CC(=O)c1ccc(C(=O)N[C@H]2CCN(c3cccc(Cl)c3)C2)cc1[O-] ZINC000436656912 501180421 /nfs/dbraw/zinc/18/04/21/501180421.db2.gz SBWZKDRPKLDIRT-HNNXBMFYSA-N -1 3 358.825 3.257 20 0 FGADHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1CCCC[C@@H]1C(C)C ZINC000441891542 501181235 /nfs/dbraw/zinc/18/12/35/501181235.db2.gz BHPFFOPRKQNWAS-CYBMUJFWSA-N -1 3 366.483 3.209 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N(Cc2cccc(F)c2)C2CC2)c([O-])c1 ZINC000436665786 501182739 /nfs/dbraw/zinc/18/27/39/501182739.db2.gz PIKGYGIIQAIFDZ-UHFFFAOYSA-N -1 3 370.424 3.151 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)NCc2cc3ccccc3s2)c([O-])c1 ZINC000436667653 501183325 /nfs/dbraw/zinc/18/33/25/501183325.db2.gz USDCORWMLCWQRK-UHFFFAOYSA-N -1 3 368.458 3.352 20 0 FGADHM Cc1ccccc1C[C@H](C)NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436669478 501184270 /nfs/dbraw/zinc/18/42/70/501184270.db2.gz LYJBBUJDTMLCOX-QFBILLFUSA-N -1 3 366.461 3.053 20 0 FGADHM COCCO[C@H]1CCCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC000436675114 501184928 /nfs/dbraw/zinc/18/49/28/501184928.db2.gz YEYRIKRSRQQYHJ-SFHVURJKSA-N -1 3 371.433 3.452 20 0 FGADHM C[C@@H](NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2)c1ccc2c(c1)OCO2 ZINC000436681332 501186890 /nfs/dbraw/zinc/18/68/90/501186890.db2.gz MYKNOBCOWLKOIC-LLVKDONJSA-N -1 3 355.390 3.325 20 0 FGADHM CC1(C)Cc2ccc(C(=O)NCc3ccc4c(c3)OCCCO4)c([O-])c2O1 ZINC000436682016 501187121 /nfs/dbraw/zinc/18/71/21/501187121.db2.gz ORZBXEUJVMEBDP-UHFFFAOYSA-N -1 3 369.417 3.197 20 0 FGADHM CC1CCN([C@H](CNC(=O)C(=O)c2ccc([O-])cc2)c2ccccc2)CC1 ZINC000436683257 501187685 /nfs/dbraw/zinc/18/76/85/501187685.db2.gz ZEGJIIFCDVHINL-HXUWFJFHSA-N -1 3 366.461 3.164 20 0 FGADHM Cc1ccc(C(=O)NCCc2nc(-c3nccc4ccccc43)no2)c([O-])c1 ZINC000436686939 501188493 /nfs/dbraw/zinc/18/84/93/501188493.db2.gz GASPYCNZQXERNJ-UHFFFAOYSA-N -1 3 374.400 3.271 20 0 FGADHM COc1cc(-c2nc(-c3cccnc3OC(C)C)no2)cc(OC)c1[O-] ZINC000436689877 501188682 /nfs/dbraw/zinc/18/86/82/501188682.db2.gz SJPBIGBEIZTVDX-UHFFFAOYSA-N -1 3 357.366 3.309 20 0 FGADHM Cc1ccc([C@H](CNC(=O)c2ccc(C)c(C)c2[O-])N2CCOCC2)cc1 ZINC000436686022 501189008 /nfs/dbraw/zinc/18/90/08/501189008.db2.gz FIOLJMRYLHWPAO-FQEVSTJZSA-N -1 3 368.477 3.121 20 0 FGADHM CCn1c(=O)[n-]nc1SC[C@@H](COC)c1ccc(Br)cc1 ZINC000450700713 501189243 /nfs/dbraw/zinc/18/92/43/501189243.db2.gz FHAVKSHLKVWJGB-LLVKDONJSA-N -1 3 372.288 3.288 20 0 FGADHM Cc1ccc(C(=O)NCCc2nc(C[C@@H](C)c3ccccc3)no2)c([O-])c1 ZINC000436692276 501189469 /nfs/dbraw/zinc/18/94/69/501189469.db2.gz WLPPKTXMPXNVBM-OAHLLOKOSA-N -1 3 365.433 3.402 20 0 FGADHM CCc1ccc(-c2noc(CCNC(=O)c3ccc(C)cc3[O-])n2)cc1 ZINC000436690937 501189942 /nfs/dbraw/zinc/18/99/42/501189942.db2.gz SFFFDJJRQUUWKW-UHFFFAOYSA-N -1 3 351.406 3.286 20 0 FGADHM CC(C)[C@H]1CCC[C@H](NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)C1 ZINC000436701414 501191511 /nfs/dbraw/zinc/19/15/11/501191511.db2.gz AHCCHYXOIABBKI-IRXDYDNUSA-N -1 3 373.497 3.074 20 0 FGADHM COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)c2cc(C)ccc2[O-])C1 ZINC000436708262 501193217 /nfs/dbraw/zinc/19/32/17/501193217.db2.gz IVDOQJZOXMAGPX-CQSZACIVSA-N -1 3 360.841 3.371 20 0 FGADHM CC1(C)CN(C(=O)c2cc3c(cc2[O-])CCCC3)C[C@H](C(F)(F)F)O1 ZINC000436710256 501193882 /nfs/dbraw/zinc/19/38/82/501193882.db2.gz ZVLYKDRSSRQXFN-OAHLLOKOSA-N -1 3 357.372 3.453 20 0 FGADHM CC(C)c1noc(Cc2ccc(NC(=O)c3c([O-])cccc3O)cc2)n1 ZINC000436728051 501197720 /nfs/dbraw/zinc/19/77/20/501197720.db2.gz HARAUUBNUGWBOC-UHFFFAOYSA-N -1 3 353.378 3.447 20 0 FGADHM Cc1nc(N2CCN(C(=O)c3cc4c(cc3[O-])CCCC4)CC2)sc1C ZINC000436736053 501200598 /nfs/dbraw/zinc/20/05/98/501200598.db2.gz FPYCHEMHCWGVOG-UHFFFAOYSA-N -1 3 371.506 3.307 20 0 FGADHM COc1cc(NC(=O)c2c([O-])cccc2O)cc(OC)c1Br ZINC000436735513 501200887 /nfs/dbraw/zinc/20/08/87/501200887.db2.gz COKFLAUWJCFCMN-UHFFFAOYSA-N -1 3 368.183 3.130 20 0 FGADHM COc1ccc(C(=O)N[C@H](CC(=O)OC(C)C)c2ccccc2)c([O-])c1 ZINC000436756461 501205596 /nfs/dbraw/zinc/20/55/96/501205596.db2.gz QIIMDGOYUXVGOJ-QGZVFWFLSA-N -1 3 357.406 3.214 20 0 FGADHM O=C(Nc1cccc2c1CNC2=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436774540 501209278 /nfs/dbraw/zinc/20/92/78/501209278.db2.gz NIRZXBBUFLTKDR-UHFFFAOYSA-N -1 3 358.397 3.479 20 0 FGADHM COc1cccc(C(=O)Nc2ccc(OC)c(N3CCCCC3=O)c2)c1[O-] ZINC000436777629 501209908 /nfs/dbraw/zinc/20/99/08/501209908.db2.gz CVMXOLARDPDXPL-UHFFFAOYSA-N -1 3 370.405 3.179 20 0 FGADHM CCc1cccc2c1OCC[C@H]2NC(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000436778611 501209930 /nfs/dbraw/zinc/20/99/30/501209930.db2.gz RTZSXJLVXYSNGB-OAHLLOKOSA-N -1 3 357.406 3.225 20 0 FGADHM O=C(Cc1ccc2ccccc2c1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436778470 501210033 /nfs/dbraw/zinc/21/00/33/501210033.db2.gz HBADDJALFZNCGM-UHFFFAOYSA-N -1 3 374.440 3.073 20 0 FGADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N[C@H]1C[C@@H]1C(F)F ZINC000436777119 501210162 /nfs/dbraw/zinc/21/01/62/501210162.db2.gz YAPHPVUIIMCFHL-BBWFWOEESA-N -1 3 374.387 3.023 20 0 FGADHM COc1ccc(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)cc1NC(C)=O ZINC000436777063 501210473 /nfs/dbraw/zinc/21/04/73/501210473.db2.gz XNFFATXEHPPCPR-UHFFFAOYSA-N -1 3 370.405 3.325 20 0 FGADHM CCc1ccc(C(=O)NCc2ccncc2OCC(F)(F)F)c([O-])c1 ZINC000436785593 501210630 /nfs/dbraw/zinc/21/06/30/501210630.db2.gz VVOXATYADDVLGU-UHFFFAOYSA-N -1 3 354.328 3.221 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)Nc2ccnn2[C@H](C)CC(C)C)c([O-])c1 ZINC000436793742 501212861 /nfs/dbraw/zinc/21/28/61/501212861.db2.gz SSNDBQWDZOSONZ-OAHLLOKOSA-N -1 3 372.469 3.263 20 0 FGADHM COc1ccc(C(=O)NC[C@@H](c2ccc(SC)cc2)N(C)C)c([O-])c1 ZINC000436800275 501213264 /nfs/dbraw/zinc/21/32/64/501213264.db2.gz JKVKEAWJPRKIAT-KRWDZBQOSA-N -1 3 360.479 3.155 20 0 FGADHM Cc1ccc(C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)c(Cl)c1C ZINC000436803314 501213899 /nfs/dbraw/zinc/21/38/99/501213899.db2.gz ODOULIMUDRFEPH-UHFFFAOYSA-N -1 3 372.852 3.261 20 0 FGADHM O=C(NCc1cnn(-c2ccc(Br)cc2)c1)c1ccccc1[O-] ZINC000436812207 501215357 /nfs/dbraw/zinc/21/53/57/501215357.db2.gz AKUWVDHYRHUMGH-UHFFFAOYSA-N -1 3 372.222 3.270 20 0 FGADHM CCOC(=O)c1csc(CCNC(=O)c2ccc(C(C)C)cc2[O-])n1 ZINC000436815248 501215750 /nfs/dbraw/zinc/21/57/50/501215750.db2.gz KHJLOXFJWFAOMI-UHFFFAOYSA-N -1 3 362.451 3.121 20 0 FGADHM CCc1ccc(C(=O)N(CCOCCOC)Cc2ccccc2)c([O-])c1 ZINC000436828623 501218103 /nfs/dbraw/zinc/21/81/03/501218103.db2.gz IXIPPHNACWTGOO-UHFFFAOYSA-N -1 3 357.450 3.260 20 0 FGADHM CCC1(C)CN(C(=O)Cc2csc(NC(=O)c3cc(C)ccc3[O-])n2)C1 ZINC000436837750 501219044 /nfs/dbraw/zinc/21/90/44/501219044.db2.gz HNGWDIZFUIWXQQ-UHFFFAOYSA-N -1 3 373.478 3.210 20 0 FGADHM CCc1ccc(C(=O)N[C@H](CO)c2ccc(Br)cc2)c([O-])c1 ZINC000436861777 501222819 /nfs/dbraw/zinc/22/28/19/501222819.db2.gz VKUSEUTVINYDMO-OAHLLOKOSA-N -1 3 364.239 3.181 20 0 FGADHM CCOc1cc(-c2noc(-c3ccccc3Cn3cncn3)n2)ccc1[O-] ZINC000436868584 501224571 /nfs/dbraw/zinc/22/45/71/501224571.db2.gz AFWMHCWMXQPZQD-UHFFFAOYSA-N -1 3 363.377 3.148 20 0 FGADHM CCOc1cc(-c2noc(-c3cnc(OCC4CC4)cn3)n2)ccc1[O-] ZINC000436878101 501225925 /nfs/dbraw/zinc/22/59/25/501225925.db2.gz ROZDVBVBVKKLFD-UHFFFAOYSA-N -1 3 354.366 3.087 20 0 FGADHM CCOc1cc(-c2noc(Cn3ccc4ccccc4c3=O)n2)ccc1[O-] ZINC000436877394 501226123 /nfs/dbraw/zinc/22/61/23/501226123.db2.gz OVQRSRNNOGFXMU-UHFFFAOYSA-N -1 3 363.373 3.204 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N(C)c2ccc(OC(C)C)cc2)c([O-])c1 ZINC000436882400 501226569 /nfs/dbraw/zinc/22/65/69/501226569.db2.gz RTFCDUFEQJBZRK-UHFFFAOYSA-N -1 3 370.449 3.271 20 0 FGADHM COc1cc(C)cc(-c2nc(-c3cc(OC)c(OC)c(OC)c3)no2)c1[O-] ZINC000436891990 501228736 /nfs/dbraw/zinc/22/87/36/501228736.db2.gz JNAKRJXOWQSEER-UHFFFAOYSA-N -1 3 372.377 3.452 20 0 FGADHM COc1ccc(Cl)cc1CN1CCN(C(=O)c2ccc([O-])c(C)c2)CC1 ZINC000436901733 501229701 /nfs/dbraw/zinc/22/97/01/501229701.db2.gz NFDWAPRVMLXLCC-UHFFFAOYSA-N -1 3 374.868 3.321 20 0 FGADHM CCOC(=O)CN(C(=O)CCc1ccc2ccccc2c1[O-])C1CCC1 ZINC000450924966 501230520 /nfs/dbraw/zinc/23/05/20/501230520.db2.gz WNPZUOVRQGGFGE-UHFFFAOYSA-N -1 3 355.434 3.422 20 0 FGADHM CC(C)(C)OC(=O)c1cccc(CN2CCC(c3n[n-]c(=O)o3)CC2)c1 ZINC000450926166 501230842 /nfs/dbraw/zinc/23/08/42/501230842.db2.gz LAXXGHMFYITQTQ-UHFFFAOYSA-N -1 3 359.426 3.110 20 0 FGADHM COc1cccc(C(=O)Nc2ccc(NC(=O)c3ccccc3)cn2)c1[O-] ZINC000436913358 501231294 /nfs/dbraw/zinc/23/12/94/501231294.db2.gz VGIFEIREOVDBEF-UHFFFAOYSA-N -1 3 363.373 3.300 20 0 FGADHM CN(C)C1(CNC(=O)c2cc(F)c([O-])c(Cl)c2)Cc2ccccc2C1 ZINC000436911659 501231348 /nfs/dbraw/zinc/23/13/48/501231348.db2.gz UVHNWRJPHFPTTM-UHFFFAOYSA-N -1 3 362.832 3.014 20 0 FGADHM COC(=O)C(C)(C)c1csc(NC(=O)c2ccc3c(c2[O-])CCCC3)n1 ZINC000436919844 501232615 /nfs/dbraw/zinc/23/26/15/501232615.db2.gz PKVPNQLONVOIOA-UHFFFAOYSA-N -1 3 374.462 3.430 20 0 FGADHM COc1ccc([O-])c(-c2nc(-c3ccnc(OCC(F)(F)F)c3)no2)c1 ZINC000436921896 501233046 /nfs/dbraw/zinc/23/30/46/501233046.db2.gz XTKCIQVFUNQRHL-UHFFFAOYSA-N -1 3 367.283 3.454 20 0 FGADHM CCc1cccc(NC(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)c1 ZINC000436920699 501233344 /nfs/dbraw/zinc/23/33/44/501233344.db2.gz SLHHBKBMPVFNLT-UHFFFAOYSA-N -1 3 367.449 3.381 20 0 FGADHM CN1c2ccc(S(=O)(=O)[N-]C(C)(C)C(F)(F)F)c3cccc(c23)C1=O ZINC000451034959 501240906 /nfs/dbraw/zinc/24/09/06/501240906.db2.gz ZCEPBYMVIGZFNM-UHFFFAOYSA-N -1 3 372.368 3.049 20 0 FGADHM O=S(=O)([N-][C@@H]1CCN2CCCC[C@@H]12)c1sc2ccccc2c1Cl ZINC000451051553 501242083 /nfs/dbraw/zinc/24/20/83/501242083.db2.gz CFDXACBARCHWGK-OLZOCXBDSA-N -1 3 370.927 3.460 20 0 FGADHM Cc1c(S(=O)(=O)[N-][C@H](C)C(C)(F)F)cnn1-c1ccc(Cl)cc1 ZINC000451075125 501243472 /nfs/dbraw/zinc/24/34/72/501243472.db2.gz ZZUMLTBJRCNWIB-SNVBAGLBSA-N -1 3 363.817 3.156 20 0 FGADHM CCc1ccc([N-]S(=O)(=O)c2ccc(OCCOC)cc2)cc1OC ZINC000451108269 501246349 /nfs/dbraw/zinc/24/63/49/501246349.db2.gz SALMDLAYZXAFIO-UHFFFAOYSA-N -1 3 365.451 3.084 20 0 FGADHM O=C(Cc1ccc([O-])c(F)c1)NCCCOc1ccc(C(F)(F)F)cn1 ZINC000451151063 501248483 /nfs/dbraw/zinc/24/84/83/501248483.db2.gz VIYYMEYFCVBBOH-UHFFFAOYSA-N -1 3 372.318 3.073 20 0 FGADHM CCCn1ccnc1CCCN(C)C(=O)c1ccc2nc(OCC)[n-]c2c1 ZINC000451179015 501250275 /nfs/dbraw/zinc/25/02/75/501250275.db2.gz BSMDCVYBBNSEPI-UHFFFAOYSA-N -1 3 369.469 3.273 20 0 FGADHM CCCn1ccnc1CCCN(C)C(=O)c1ccc2[n-]c(OCC)nc2c1 ZINC000451179015 501250276 /nfs/dbraw/zinc/25/02/76/501250276.db2.gz BSMDCVYBBNSEPI-UHFFFAOYSA-N -1 3 369.469 3.273 20 0 FGADHM COC(=O)c1ncccc1S(=O)(=O)[N-]C1(c2ccccc2)CCCCC1 ZINC000451204757 501251984 /nfs/dbraw/zinc/25/19/84/501251984.db2.gz YFKAKZWVBRNVHA-UHFFFAOYSA-N -1 3 374.462 3.006 20 0 FGADHM CCOc1ccncc1S(=O)(=O)[N-][C@H]1C[C@H]1c1c(F)cccc1Cl ZINC000451227809 501253571 /nfs/dbraw/zinc/25/35/71/501253571.db2.gz GOWYYLZYYFZOTH-MFKMUULPSA-N -1 3 370.833 3.107 20 0 FGADHM CCOc1ccncc1S(=O)(=O)[N-][C@@H](CC)c1cc(F)ccc1F ZINC000451238935 501254194 /nfs/dbraw/zinc/25/41/94/501254194.db2.gz VKGIVGKNQITGNN-AWEZNQCLSA-N -1 3 356.394 3.188 20 0 FGADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)[C@@H](CC)CC(C)C)c2)[n-]1 ZINC000451282597 501257313 /nfs/dbraw/zinc/25/73/13/501257313.db2.gz CLZIUDXDQLFZDX-HNNXBMFYSA-N -1 3 372.469 3.337 20 0 FGADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)[C@@H](CC)CC(C)C)c2)n[n-]1 ZINC000451282597 501257314 /nfs/dbraw/zinc/25/73/14/501257314.db2.gz CLZIUDXDQLFZDX-HNNXBMFYSA-N -1 3 372.469 3.337 20 0 FGADHM CO[C@H](C[N-]S(=O)(=O)Cc1c(F)cccc1Cl)c1ccccc1 ZINC000451284206 501257365 /nfs/dbraw/zinc/25/73/65/501257365.db2.gz OVTHTXWMJCQEFA-MRXNPFEDSA-N -1 3 357.834 3.286 20 0 FGADHM CC(C)(Cc1ccc(Cl)cc1)C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000457673511 501283512 /nfs/dbraw/zinc/28/35/12/501283512.db2.gz QDJYCTNFVBIBBX-UHFFFAOYSA-N -1 3 374.868 3.161 20 0 FGADHM O=S(=O)([N-]C[C@H]1CCN(Cc2ccccc2)C1)c1sccc1Cl ZINC000451480225 501302110 /nfs/dbraw/zinc/30/21/10/501302110.db2.gz PROXTUQXEDMYBD-CQSZACIVSA-N -1 3 370.927 3.202 20 0 FGADHM CCOc1nc2cc(C(=O)N3CCOc4cc(OC)ccc4C3)ccc2[n-]1 ZINC000451540396 501317675 /nfs/dbraw/zinc/31/76/75/501317675.db2.gz KVDXBFGSHJXDJZ-UHFFFAOYSA-N -1 3 367.405 3.005 20 0 FGADHM CCOc1nc2ccc(C(=O)N3CCOc4cc(OC)ccc4C3)cc2[n-]1 ZINC000451540396 501317677 /nfs/dbraw/zinc/31/76/77/501317677.db2.gz KVDXBFGSHJXDJZ-UHFFFAOYSA-N -1 3 367.405 3.005 20 0 FGADHM CCc1noc(C)c1C[N-]S(=O)(=O)c1cccc2c(Cl)ccnc21 ZINC000451578037 501329297 /nfs/dbraw/zinc/32/92/97/501329297.db2.gz BUEUEWOCBSECQO-UHFFFAOYSA-N -1 3 365.842 3.226 20 0 FGADHM O=S(=O)([N-]C[C@@H]1CSc2ccccc21)c1cccnc1C(F)(F)F ZINC000451608745 501335879 /nfs/dbraw/zinc/33/58/79/501335879.db2.gz 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501411930 /nfs/dbraw/zinc/41/19/30/501411930.db2.gz GOKRMXOOFHQKKX-QWRGUYRKSA-N -1 3 359.797 3.187 20 0 FGADHM CC1(C)COC[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000451986013 501413439 /nfs/dbraw/zinc/41/34/39/501413439.db2.gz XDBSUBDYAYGSRR-LLVKDONJSA-N -1 3 357.781 3.062 20 0 FGADHM O=C(NCCCNC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1)c1cccc([O-])c1 ZINC000455981665 501430952 /nfs/dbraw/zinc/43/09/52/501430952.db2.gz DXNPOBZJKNEHSU-ZWKOTPCHSA-N -1 3 372.852 3.085 20 0 FGADHM CC1(C)CC=C(C(=O)Nc2cc(N3CCCS3(=O)=O)ccc2[O-])CC1 ZINC000456008177 501437162 /nfs/dbraw/zinc/43/71/62/501437162.db2.gz SXWRKJTUQNMOLW-UHFFFAOYSA-N -1 3 364.467 3.007 20 0 FGADHM COc1ccc(CCNC(=O)Cc2ccc([O-])c(F)c2)c(Cl)c1OC ZINC000452138839 501444353 /nfs/dbraw/zinc/44/43/53/501444353.db2.gz HOJSVUCTTVEFKQ-UHFFFAOYSA-N -1 3 367.804 3.103 20 0 FGADHM COC(=O)c1cccc(NC(=O)Cc2ccc([O-])c(F)c2)c1OC(C)C ZINC000452140948 501444490 /nfs/dbraw/zinc/44/44/90/501444490.db2.gz FZJUEIHZDHJXRT-UHFFFAOYSA-N -1 3 361.369 3.286 20 0 FGADHM O=C(Cc1ccc(Br)cc1[O-])N1C[C@@H](C2CC2)[C@@H]1C1CC1 ZINC000456260143 501483307 /nfs/dbraw/zinc/48/33/07/501483307.db2.gz RVQCFCWEHXFFIO-YOEHRIQHSA-N -1 3 350.256 3.344 20 0 FGADHM CO[C@@H]1CCN(C(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)CC1(C)C ZINC000454321356 501513410 /nfs/dbraw/zinc/51/34/10/501513410.db2.gz STBAVTHBCDSTOO-QGZVFWFLSA-N -1 3 370.453 3.436 20 0 FGADHM Cc1nccc(CCC(=O)Nc2c([O-])ccc(Br)c2C)n1 ZINC000452749618 501555983 /nfs/dbraw/zinc/55/59/83/501555983.db2.gz MMHBBSSGIYHRLD-UHFFFAOYSA-N -1 3 350.216 3.133 20 0 FGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)NCC1CCCCCC1 ZINC000452792931 501562978 /nfs/dbraw/zinc/56/29/78/501562978.db2.gz MNFAIYIXNQEEHA-UHFFFAOYSA-N -1 3 368.481 3.160 20 0 FGADHM CC(C)[C@@H]1C[C@H]1CNC(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000459064044 501586232 /nfs/dbraw/zinc/58/62/32/501586232.db2.gz MXPUXZISVVJAJI-HOTGVXAUSA-N -1 3 359.470 3.044 20 0 FGADHM O=C(CCc1ccc2ccccc2c1[O-])N[C@H]([C@H](CO)C1CC1)C1CC1 ZINC000452960505 501592911 /nfs/dbraw/zinc/59/29/11/501592911.db2.gz UIEILDMHBSNAMS-CTNGQTDRSA-N -1 3 353.462 3.391 20 0 FGADHM O=C(CCc1ccc2ccccc2c1[O-])N[C@@H]([C@@H](CO)C1CC1)C1CC1 ZINC000452960511 501592922 /nfs/dbraw/zinc/59/29/22/501592922.db2.gz UIEILDMHBSNAMS-PZJWPPBQSA-N -1 3 353.462 3.391 20 0 FGADHM Cc1cnn([C@@H]2CCCN(Cc3cccc([O-])c3Br)C2)c1 ZINC000459335421 501633952 /nfs/dbraw/zinc/63/39/52/501633952.db2.gz ODWFJXUMMKVIAE-CQSZACIVSA-N -1 3 350.260 3.497 20 0 FGADHM Cc1nnc([C@@H]2CCCCN2Cc2cc(=O)[n-]c(-c3ccccc3)n2)[nH]1 ZINC000459370086 501640669 /nfs/dbraw/zinc/64/06/69/501640669.db2.gz HDZJEYZVLJBMMN-INIZCTEOSA-N -1 3 350.426 3.003 20 0 FGADHM Cc1nc([C@@H]2CCCCN2Cc2cc(=O)[n-]c(-c3ccccc3)n2)n[nH]1 ZINC000459370086 501640671 /nfs/dbraw/zinc/64/06/71/501640671.db2.gz HDZJEYZVLJBMMN-INIZCTEOSA-N -1 3 350.426 3.003 20 0 FGADHM CCOc1cc(CN[C@H](C)c2nnnn2-c2ccccc2)cc(Cl)c1[O-] ZINC000459410826 501648882 /nfs/dbraw/zinc/64/88/82/501648882.db2.gz LDVGEFSOFLFUHH-GFCCVEGCSA-N -1 3 373.844 3.271 20 0 FGADHM CCOC(=O)Cc1cnc(N(C)C(=O)c2ccc3c(c2[O-])CCCC3)s1 ZINC000457111734 501652361 /nfs/dbraw/zinc/65/23/61/501652361.db2.gz OYQZITGGMPSQSI-UHFFFAOYSA-N -1 3 374.462 3.110 20 0 FGADHM CCOc1cc(CN2CCOCC3(CC3)C2)cc(Br)c1[O-] ZINC000459458992 501657464 /nfs/dbraw/zinc/65/74/64/501657464.db2.gz HGNPFKRSBDKBKB-UHFFFAOYSA-N -1 3 356.260 3.166 20 0 FGADHM CC(C)[C@@H](NCc1cc(=O)[n-]c(C2CC2)n1)c1ccc2c(c1)OCCO2 ZINC000459462636 501658465 /nfs/dbraw/zinc/65/84/65/501658465.db2.gz GUGSISZUDNGPJE-LJQANCHMSA-N -1 3 355.438 3.318 20 0 FGADHM CCOc1cc(CN2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)OC)cc(Cl)c1[O-] ZINC000459506959 501666119 /nfs/dbraw/zinc/66/61/19/501666119.db2.gz JXFVLHOWHOPWGO-XEZPLFJOSA-N -1 3 353.846 3.218 20 0 FGADHM CC[C@]1(C(C)C)C[C@H]1NC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000457256743 501672978 /nfs/dbraw/zinc/67/29/78/501672978.db2.gz BHFOGGOXCBVZOF-YLJYHZDGSA-N -1 3 371.437 3.495 20 0 FGADHM CCNC(=O)Nc1c(C)cccc1NC(=O)c1cc(C(F)(F)F)n[n-]1 ZINC000457306163 501679368 /nfs/dbraw/zinc/67/93/68/501679368.db2.gz JCLJIFGUOODKJZ-UHFFFAOYSA-N -1 3 355.320 3.131 20 0 FGADHM CCNC(=O)Nc1c(C)cccc1NC(=O)c1cc(C(F)(F)F)[n-]n1 ZINC000457306163 501679369 /nfs/dbraw/zinc/67/93/69/501679369.db2.gz JCLJIFGUOODKJZ-UHFFFAOYSA-N -1 3 355.320 3.131 20 0 FGADHM O=C(c1ccc(O)cc1[O-])N1CCC[C@@H]1c1ccc(Br)cn1 ZINC000457321288 501681632 /nfs/dbraw/zinc/68/16/32/501681632.db2.gz CHBACIDHXADOEO-CQSZACIVSA-N -1 3 363.211 3.233 20 0 FGADHM COc1ccc(CN[C@@H]2C[C@H](OC)C23CCC3)c(Br)c1[O-] ZINC000459795436 501715006 /nfs/dbraw/zinc/71/50/06/501715006.db2.gz VGLVCSCMAMESSZ-OLZOCXBDSA-N -1 3 356.260 3.211 20 0 FGADHM O=C(Nc1nnc(-c2cc3ccccc3o2)[n-]1)c1ccc(-n2ccnn2)cc1 ZINC000485132556 501732437 /nfs/dbraw/zinc/73/24/37/501732437.db2.gz PZLRDBODYNAWAF-UHFFFAOYSA-N -1 3 371.360 3.051 20 0 FGADHM O=C(Nc1nc(-c2cc3ccccc3o2)n[n-]1)c1ccc(-n2ccnn2)cc1 ZINC000485132556 501732441 /nfs/dbraw/zinc/73/24/41/501732441.db2.gz PZLRDBODYNAWAF-UHFFFAOYSA-N -1 3 371.360 3.051 20 0 FGADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)c1ccc(-n2ccnn2)cc1 ZINC000485132556 501732446 /nfs/dbraw/zinc/73/24/46/501732446.db2.gz PZLRDBODYNAWAF-UHFFFAOYSA-N -1 3 371.360 3.051 20 0 FGADHM Cc1noc(C)c1C[N-]S(=O)(=O)c1oc2ccc(Cl)cc2c1C ZINC000470613697 501744404 /nfs/dbraw/zinc/74/44/04/501744404.db2.gz OSZAFZIBPBWEID-UHFFFAOYSA-N -1 3 354.815 3.478 20 0 FGADHM CCCCn1ncc(NC(=O)NCc2nnc(C(F)(F)F)[n-]2)c1C(C)C ZINC000485171717 501747193 /nfs/dbraw/zinc/74/71/93/501747193.db2.gz CIEMBLGGKXBLEW-UHFFFAOYSA-N -1 3 373.383 3.265 20 0 FGADHM CCCCn1ncc(NC(=O)NCc2n[n-]c(C(F)(F)F)n2)c1C(C)C ZINC000485171717 501747197 /nfs/dbraw/zinc/74/71/97/501747197.db2.gz CIEMBLGGKXBLEW-UHFFFAOYSA-N -1 3 373.383 3.265 20 0 FGADHM CCCCn1ncc(NC(=O)NCc2nc(C(F)(F)F)n[n-]2)c1C(C)C ZINC000485171717 501747199 /nfs/dbraw/zinc/74/71/99/501747199.db2.gz CIEMBLGGKXBLEW-UHFFFAOYSA-N -1 3 373.383 3.265 20 0 FGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]CC(=O)OC(C)(C)C ZINC000470624825 501747515 /nfs/dbraw/zinc/74/75/15/501747515.db2.gz ZFLUDSBYJOYSLO-UHFFFAOYSA-N -1 3 359.831 3.015 20 0 FGADHM CC(=O)c1cc(C(=O)NCc2ccc([O-])c(Br)c2)cs1 ZINC000481453605 501780408 /nfs/dbraw/zinc/78/04/08/501780408.db2.gz NDXGJJDTMIORKQ-UHFFFAOYSA-N -1 3 354.225 3.349 20 0 FGADHM CN(CCC[N-]S(=O)(=O)c1c(F)cccc1Cl)Cc1ccccc1 ZINC000463678276 501792092 /nfs/dbraw/zinc/79/20/92/501792092.db2.gz JMOBENCUGJLYDG-UHFFFAOYSA-N -1 3 370.877 3.280 20 0 FGADHM C[C@H]1C[C@@H](NC(=O)N=c2nc(C(C)(C)C)[n-]s2)CN1Cc1ccccc1 ZINC000467468277 501802095 /nfs/dbraw/zinc/80/20/95/501802095.db2.gz QUQYHLPVYXANMR-DZGCQCFKSA-N -1 3 373.526 3.042 20 0 FGADHM C[C@@H]1C[C@@H](NC(=O)N=c2nc(C(C)(C)C)[n-]s2)CN1Cc1ccccc1 ZINC000467468279 501802198 /nfs/dbraw/zinc/80/21/98/501802198.db2.gz QUQYHLPVYXANMR-UKRRQHHQSA-N -1 3 373.526 3.042 20 0 FGADHM O=S(=O)([N-]CCOC(F)(F)F)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000474394516 501819348 /nfs/dbraw/zinc/81/93/48/501819348.db2.gz PLGQCYLTMRDROB-UHFFFAOYSA-N -1 3 371.686 3.174 20 0 FGADHM CCOC(=O)c1cc(F)c(F)cc1[N-]C(=O)c1cc(-c2ccccn2)no1 ZINC000474408477 501825343 /nfs/dbraw/zinc/82/53/43/501825343.db2.gz GIUQPEHDGCFDQT-UHFFFAOYSA-N -1 3 373.315 3.444 20 0 FGADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc3n[nH]nc3c2)c2ccccc12 ZINC000474413887 501827770 /nfs/dbraw/zinc/82/77/70/501827770.db2.gz PSKPKJHMBNBUGL-UHFFFAOYSA-N -1 3 368.418 3.311 20 0 FGADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc3[nH]nnc3c2)c2ccccc12 ZINC000474413887 501827778 /nfs/dbraw/zinc/82/77/78/501827778.db2.gz PSKPKJHMBNBUGL-UHFFFAOYSA-N -1 3 368.418 3.311 20 0 FGADHM CCCOc1cccc([N-]S(=O)(=O)CCOc2ccc(OC)cc2)c1 ZINC000460454816 501827997 /nfs/dbraw/zinc/82/79/97/501827997.db2.gz WUYLCXXOSICRBO-UHFFFAOYSA-N -1 3 365.451 3.305 20 0 FGADHM COc1cccc(C2(C(=O)Nc3n[n-]c(-c4ccccc4OC)n3)CC2)c1 ZINC000481620766 501834383 /nfs/dbraw/zinc/83/43/83/501834383.db2.gz CGBWCXZIDOPFMF-UHFFFAOYSA-N -1 3 364.405 3.159 20 0 FGADHM COC(=O)[C@](C)(CNC(=O)CCCc1ccc([O-])c(F)c1)c1ccccc1 ZINC000470885184 501842470 /nfs/dbraw/zinc/84/24/70/501842470.db2.gz YMAOIENQQKMMQX-OAQYLSRUSA-N -1 3 373.424 3.101 20 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/nfs/dbraw/zinc/89/24/80/501892480.db2.gz GPMZKUPYAJCQNA-UHFFFAOYSA-N -1 3 372.425 3.140 20 0 FGADHM CCCCc1nc(NC(=O)c2cccc(NC(C)=O)c2)c(C(=O)OCC)[n-]1 ZINC000485663434 501892485 /nfs/dbraw/zinc/89/24/85/501892485.db2.gz GPMZKUPYAJCQNA-UHFFFAOYSA-N -1 3 372.425 3.140 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]CCCO[C@@H](C)c2ccccc2)c(F)c1 ZINC000478145584 501892555 /nfs/dbraw/zinc/89/25/55/501892555.db2.gz VTUIRDGGDHIGSI-AWEZNQCLSA-N -1 3 367.442 3.281 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]CCCn2ccc3ccccc32)c(F)c1 ZINC000478142002 501892658 /nfs/dbraw/zinc/89/26/58/501892658.db2.gz KRVGFHUTOFIQOJ-UHFFFAOYSA-N -1 3 362.426 3.158 20 0 FGADHM COc1cccc([C@H]2C[C@H]2C(=O)N=c2cc(-c3ccccc3OC)[n-][nH]2)c1 ZINC000592861871 506280200 /nfs/dbraw/zinc/28/02/00/506280200.db2.gz DWFJQJZPLQZCDS-IAGOWNOFSA-N -1 3 363.417 3.258 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(CN(C)C)c(Cl)c2)cc1 ZINC000481860686 501901186 /nfs/dbraw/zinc/90/11/86/501901186.db2.gz CDUGCAQGIFJHSH-UHFFFAOYSA-N -1 3 354.859 3.211 20 0 FGADHM CCCCc1nc(C(=O)OCC)c(NC(=O)Cc2cc(C)ccc2OC)[n-]1 ZINC000485706482 501908634 /nfs/dbraw/zinc/90/86/34/501908634.db2.gz BUVJFXFCKGUTOC-UHFFFAOYSA-N -1 3 373.453 3.427 20 0 FGADHM CCCCc1nc(NC(=O)Cc2cc(C)ccc2OC)c(C(=O)OCC)[n-]1 ZINC000485706482 501908637 /nfs/dbraw/zinc/90/86/37/501908637.db2.gz BUVJFXFCKGUTOC-UHFFFAOYSA-N -1 3 373.453 3.427 20 0 FGADHM Cc1ccc(-c2cncc(C(=O)NCc3nnc(C(F)(F)F)[n-]3)c2)cc1 ZINC000481889849 501909803 /nfs/dbraw/zinc/90/98/03/501909803.db2.gz HDCFXWUYEIAIIY-UHFFFAOYSA-N -1 3 361.327 3.124 20 0 FGADHM Cc1ccc(-c2cncc(C(=O)NCc3n[n-]c(C(F)(F)F)n3)c2)cc1 ZINC000481889849 501909808 /nfs/dbraw/zinc/90/98/08/501909808.db2.gz HDCFXWUYEIAIIY-UHFFFAOYSA-N -1 3 361.327 3.124 20 0 FGADHM Cc1ccc(-c2cncc(C(=O)NCc3nc(C(F)(F)F)n[n-]3)c2)cc1 ZINC000481889849 501909811 /nfs/dbraw/zinc/90/98/11/501909811.db2.gz HDCFXWUYEIAIIY-UHFFFAOYSA-N -1 3 361.327 3.124 20 0 FGADHM Cc1nn(C(C)(C)C)cc1[C@H](C)[N-]S(=O)(=O)c1cccc(C)c1F ZINC000464183592 501915805 /nfs/dbraw/zinc/91/58/05/501915805.db2.gz DLQGNHIJSWKCMH-ZDUSSCGKSA-N -1 3 353.463 3.434 20 0 FGADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)c1sccc1-c1ccccc1 ZINC000481926079 501920705 /nfs/dbraw/zinc/92/07/05/501920705.db2.gz UZTHMKPHCZWUSD-UHFFFAOYSA-N -1 3 352.341 3.482 20 0 FGADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)c1sccc1-c1ccccc1 ZINC000481926079 501920709 /nfs/dbraw/zinc/92/07/09/501920709.db2.gz UZTHMKPHCZWUSD-UHFFFAOYSA-N -1 3 352.341 3.482 20 0 FGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1sccc1-c1ccccc1 ZINC000481926079 501920715 /nfs/dbraw/zinc/92/07/15/501920715.db2.gz UZTHMKPHCZWUSD-UHFFFAOYSA-N -1 3 352.341 3.482 20 0 FGADHM CC1(C)[C@H](NC(=O)c2ccc3n[n-]nc3c2)C[C@H]1OCc1ccccc1 ZINC000474689326 501921602 /nfs/dbraw/zinc/92/16/02/501921602.db2.gz WWFYKLLHMVGHHV-QZTJIDSGSA-N -1 3 350.422 3.072 20 0 FGADHM O=C(c1cccc(Br)c1[O-])N1CCC[C@H]1CN1CCCCC1 ZINC000592868548 506282457 /nfs/dbraw/zinc/28/24/57/506282457.db2.gz LHXWZOYRGVYCPD-ZDUSSCGKSA-N -1 3 367.287 3.245 20 0 FGADHM Cc1c(C(=O)Nc2nnc(-c3c(F)cccc3F)[n-]2)[nH]c2c1C(=O)CCC2 ZINC000478313665 501940382 /nfs/dbraw/zinc/94/03/82/501940382.db2.gz LPPKZDSJEBLYMU-UHFFFAOYSA-N -1 3 371.347 3.158 20 0 FGADHM Cc1c(C(=O)Nc2nc(-c3c(F)cccc3F)n[n-]2)[nH]c2c1C(=O)CCC2 ZINC000478313665 501940387 /nfs/dbraw/zinc/94/03/87/501940387.db2.gz LPPKZDSJEBLYMU-UHFFFAOYSA-N -1 3 371.347 3.158 20 0 FGADHM Cc1c(C(=O)Nc2n[n-]c(-c3c(F)cccc3F)n2)[nH]c2c1C(=O)CCC2 ZINC000478313665 501940389 /nfs/dbraw/zinc/94/03/89/501940389.db2.gz LPPKZDSJEBLYMU-UHFFFAOYSA-N -1 3 371.347 3.158 20 0 FGADHM Cn1[n-]c(=NC(=O)c2cc(F)ccc2-c2ccoc2)cc1OC(F)F ZINC000471161688 501941927 /nfs/dbraw/zinc/94/19/27/501941927.db2.gz PRCCIZMMQAPPOE-UHFFFAOYSA-N -1 3 351.284 3.095 20 0 FGADHM COc1ccc(NC(=O)NCc2ncccc2[O-])cc1OCC(F)(F)F ZINC000471175812 501946977 /nfs/dbraw/zinc/94/69/77/501946977.db2.gz DJYANHSABXGZBI-UHFFFAOYSA-N -1 3 371.315 3.059 20 0 FGADHM CC(C)CCC[C@@H](C)N(CCC(C)C)C(=O)c1cn(C)c(=O)[n-]c1=O ZINC000464301607 501947531 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CCc1ncc(S(=O)(=O)[N-]C[C@@H](OC)c2ccc(Cl)cc2)s1 ZINC000460959677 501971949 /nfs/dbraw/zinc/97/19/49/501971949.db2.gz QUZOGKXGLHEPAP-GFCCVEGCSA-N -1 3 360.888 3.025 20 0 FGADHM O=C(CCc1ccc(Br)cc1)Nc1nnc(-c2ccccn2)[n-]1 ZINC000482099536 501974876 /nfs/dbraw/zinc/97/48/76/501974876.db2.gz MMBYNAQQDXJTDN-UHFFFAOYSA-N -1 3 372.226 3.201 20 0 FGADHM O=C(CCc1ccc(Br)cc1)Nc1nc(-c2ccccn2)n[n-]1 ZINC000482099536 501974879 /nfs/dbraw/zinc/97/48/79/501974879.db2.gz MMBYNAQQDXJTDN-UHFFFAOYSA-N -1 3 372.226 3.201 20 0 FGADHM O=C(CCc1ccc(Br)cc1)Nc1n[n-]c(-c2ccccn2)n1 ZINC000482099536 501974884 /nfs/dbraw/zinc/97/48/84/501974884.db2.gz MMBYNAQQDXJTDN-UHFFFAOYSA-N -1 3 372.226 3.201 20 0 FGADHM COCc1c(Br)cccc1NC(=O)NCc1ncccc1[O-] ZINC000471280051 501977099 /nfs/dbraw/zinc/97/70/99/501977099.db2.gz ZKRAIPXBLUIIII-UHFFFAOYSA-N -1 3 366.215 3.018 20 0 FGADHM CCc1cc(C(=O)N2CCc3cc(OC)c(OC)cc3CC2)ccc1[O-] ZINC000485920944 501988272 /nfs/dbraw/zinc/98/82/72/501988272.db2.gz DJLPTWZBMCMIIL-UHFFFAOYSA-N -1 3 355.434 3.213 20 0 FGADHM COCCCC[C@@H](NC(=O)CCc1c(C)nc(C)[n-]c1=O)c1ccccc1 ZINC000471326161 501990006 /nfs/dbraw/zinc/99/00/06/501990006.db2.gz CUIIMRWZWLIHNB-LJQANCHMSA-N -1 3 371.481 3.406 20 0 FGADHM O=C(NCC(F)(F)C(F)F)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000482151972 501990950 /nfs/dbraw/zinc/99/09/50/501990950.db2.gz VVVAODVRBFVWAC-UHFFFAOYSA-N -1 3 355.287 3.253 20 0 FGADHM Cc1cc2c(cc1C)[C@H](C(=O)Nc1nnc(-c3c(F)cccc3F)[n-]1)CO2 ZINC000474929364 501995520 /nfs/dbraw/zinc/99/55/20/501995520.db2.gz JBDNLQIKOQHRDB-GFCCVEGCSA-N -1 3 370.359 3.481 20 0 FGADHM Cc1cc2c(cc1C)[C@H](C(=O)Nc1nc(-c3c(F)cccc3F)n[n-]1)CO2 ZINC000474929364 501995527 /nfs/dbraw/zinc/99/55/27/501995527.db2.gz JBDNLQIKOQHRDB-GFCCVEGCSA-N -1 3 370.359 3.481 20 0 FGADHM Cc1cc2c(cc1C)[C@H](C(=O)Nc1n[n-]c(-c3c(F)cccc3F)n1)CO2 ZINC000474929364 501995532 /nfs/dbraw/zinc/99/55/32/501995532.db2.gz JBDNLQIKOQHRDB-GFCCVEGCSA-N -1 3 370.359 3.481 20 0 FGADHM C[C@@H]1CCN(C(=O)N=c2cc3ccc(Br)cn3[n-]2)C[C@@H](C)C1 ZINC000482180815 502000296 /nfs/dbraw/zinc/00/02/96/502000296.db2.gz CWSMNSPKAMSEQR-NEPJUHHUSA-N -1 3 365.275 3.419 20 0 FGADHM C[C@@H]1CCCN(C(=O)N=c2cc3ccc(Br)cn3[n-]2)CC1 ZINC000482183093 502000990 /nfs/dbraw/zinc/00/09/90/502000990.db2.gz GPJQGZORCZKYQD-LLVKDONJSA-N -1 3 351.248 3.173 20 0 FGADHM O=C(CCc1ccc(-c2ccccc2)o1)NCc1nnc(C(F)(F)F)[n-]1 ZINC000482210195 502008077 /nfs/dbraw/zinc/00/80/77/502008077.db2.gz LGMGMTVFCMTOLZ-UHFFFAOYSA-N -1 3 364.327 3.333 20 0 FGADHM O=C(CCc1ccc(-c2ccccc2)o1)NCc1n[n-]c(C(F)(F)F)n1 ZINC000482210195 502008083 /nfs/dbraw/zinc/00/80/83/502008083.db2.gz LGMGMTVFCMTOLZ-UHFFFAOYSA-N -1 3 364.327 3.333 20 0 FGADHM O=C(CCc1ccc(-c2ccccc2)o1)NCc1nc(C(F)(F)F)n[n-]1 ZINC000482210195 502008090 /nfs/dbraw/zinc/00/80/90/502008090.db2.gz LGMGMTVFCMTOLZ-UHFFFAOYSA-N -1 3 364.327 3.333 20 0 FGADHM C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000482213370 502009048 /nfs/dbraw/zinc/00/90/48/502009048.db2.gz RHGWVQCAYIFCOU-JTQLQIEISA-N -1 3 370.375 3.205 20 0 FGADHM C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000482213370 502009051 /nfs/dbraw/zinc/00/90/51/502009051.db2.gz RHGWVQCAYIFCOU-JTQLQIEISA-N -1 3 370.375 3.205 20 0 FGADHM C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000482213370 502009053 /nfs/dbraw/zinc/00/90/53/502009053.db2.gz RHGWVQCAYIFCOU-JTQLQIEISA-N -1 3 370.375 3.205 20 0 FGADHM C[C@@H](Sc1ccccc1Cl)C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000482217920 502010569 /nfs/dbraw/zinc/01/05/69/502010569.db2.gz UJTOHUIQNAWIJJ-SSDOTTSWSA-N -1 3 364.780 3.274 20 0 FGADHM C[C@@H](Sc1ccccc1Cl)C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000482217920 502010574 /nfs/dbraw/zinc/01/05/74/502010574.db2.gz UJTOHUIQNAWIJJ-SSDOTTSWSA-N -1 3 364.780 3.274 20 0 FGADHM C[C@@H](Sc1ccccc1Cl)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000482217920 502010582 /nfs/dbraw/zinc/01/05/82/502010582.db2.gz UJTOHUIQNAWIJJ-SSDOTTSWSA-N -1 3 364.780 3.274 20 0 FGADHM CC(C)(Cc1cccc(Cl)c1)C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000482233704 502015246 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Cc1ccc(NC(=O)c2c[n-]nc2-c2ccncc2)cc1NC(=O)N(C)C ZINC000478668992 502049683 /nfs/dbraw/zinc/04/96/83/502049683.db2.gz FUFBDPMAKSGJJC-UHFFFAOYSA-N -1 3 364.409 3.126 20 0 FGADHM Cc1ccc(NC(=O)c2cn[n-]c2-c2ccncc2)cc1NC(=O)N(C)C ZINC000478668992 502049684 /nfs/dbraw/zinc/04/96/84/502049684.db2.gz FUFBDPMAKSGJJC-UHFFFAOYSA-N -1 3 364.409 3.126 20 0 FGADHM C[C@@H](Oc1ccc(F)cc1)C(=O)N=c1nc(-c2ccccc2Cl)[n-]n1C ZINC000461247627 502050998 /nfs/dbraw/zinc/05/09/98/502050998.db2.gz YZLCSSMGZMPARY-LLVKDONJSA-N -1 3 374.803 3.103 20 0 FGADHM CO[C@H](C)[C@@H](C)NC(=O)c1c[n-]c2ccc(Oc3ccccc3)cc2c1=O ZINC000461277847 502060708 /nfs/dbraw/zinc/06/07/08/502060708.db2.gz JBRDDTZRIYLJBH-ZIAGYGMSSA-N -1 3 366.417 3.474 20 0 FGADHM COC(=O)c1cccc2c1CN(C(=O)CCCc1ccc([O-])c(F)c1)CC2 ZINC000592889777 506296801 /nfs/dbraw/zinc/29/68/01/506296801.db2.gz YYCIEFXUMQOFBY-UHFFFAOYSA-N -1 3 371.408 3.226 20 0 FGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]CCO[C@@H]1CCCC[C@H]1C ZINC000486254856 502101879 /nfs/dbraw/zinc/10/18/79/502101879.db2.gz TXSJHGLFJQNUEO-TZMCWYRMSA-N -1 3 361.891 3.222 20 0 FGADHM CCOC(=O)[C@H](Cc1ccccc1)NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000468601369 502121276 /nfs/dbraw/zinc/12/12/76/502121276.db2.gz WGGDLKUMDYIHGY-SFHVURJKSA-N -1 3 373.424 3.145 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCC(C)(C)C1=CCCCC1 ZINC000478920044 502121363 /nfs/dbraw/zinc/12/13/63/502121363.db2.gz DFLSMRRIVYUNKL-CYBMUJFWSA-N -1 3 370.540 3.058 20 0 FGADHM CC(C)C[C@@H](NC(=O)NCc1nnc(C(F)(F)F)[n-]1)c1ccccc1 ZINC000482664415 502144474 /nfs/dbraw/zinc/14/44/74/502144474.db2.gz ULFYCMVRJMKOQD-GFCCVEGCSA-N -1 3 355.364 3.410 20 0 FGADHM CC(C)C[C@@H](NC(=O)NCc1n[n-]c(C(F)(F)F)n1)c1ccccc1 ZINC000482664415 502144479 /nfs/dbraw/zinc/14/44/79/502144479.db2.gz ULFYCMVRJMKOQD-GFCCVEGCSA-N -1 3 355.364 3.410 20 0 FGADHM CC(C)C[C@@H](NC(=O)NCc1nc(C(F)(F)F)n[n-]1)c1ccccc1 ZINC000482664415 502144485 /nfs/dbraw/zinc/14/44/85/502144485.db2.gz ULFYCMVRJMKOQD-GFCCVEGCSA-N -1 3 355.364 3.410 20 0 FGADHM CCc1ccc2occ(C(=O)Nc3cc4c(cc3[O-])n(C)c(=O)n4C)c2c1 ZINC000461622205 502155213 /nfs/dbraw/zinc/15/52/13/502155213.db2.gz ZVJYDCJCXCBDKG-UHFFFAOYSA-N -1 3 365.389 3.144 20 0 FGADHM COc1ccc(S(=O)(=O)[N-][C@@](C)(C2CC2)C(F)(F)F)c(C)c1F ZINC000479159886 502179313 /nfs/dbraw/zinc/17/93/13/502179313.db2.gz PDTDRDYCSDHXCE-ZDUSSCGKSA-N -1 3 355.353 3.152 20 0 FGADHM CC[C@H]1C[C@H](C)CN1C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000465066045 502184724 /nfs/dbraw/zinc/18/47/24/502184724.db2.gz KVZWXJJBYMCYBN-JSGCOSHPSA-N -1 3 369.487 3.109 20 0 FGADHM CCCC[C@@H](CC)CNC(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C)c1 ZINC000486550782 502186883 /nfs/dbraw/zinc/18/68/83/502186883.db2.gz QRKJWIDCTXWFEJ-GFCCVEGCSA-N -1 3 359.467 3.072 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1C)C(F)(F)F ZINC000468813682 502192207 /nfs/dbraw/zinc/19/22/07/502192207.db2.gz DJXSVRHVUWENGH-JTQLQIEISA-N -1 3 360.195 3.377 20 0 FGADHM COc1ccc(-c2ccc(CNC(=O)NCc3ncccc3[O-])cc2)cc1 ZINC000471989997 502193078 /nfs/dbraw/zinc/19/30/78/502193078.db2.gz CAIKKHIAZVGFNK-UHFFFAOYSA-N -1 3 363.417 3.462 20 0 FGADHM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2OC)C12CCCC2 ZINC000486581737 502197684 /nfs/dbraw/zinc/19/76/84/502197684.db2.gz BTCMRTUYIXJSHV-HOTGVXAUSA-N -1 3 373.902 3.365 20 0 FGADHM O=C(c1csc(=O)[n-]1)N(CCc1ccccn1)Cc1ccc(F)cc1 ZINC000472028958 502203788 /nfs/dbraw/zinc/20/37/88/502203788.db2.gz IYXCHHGAVAMDQY-UHFFFAOYSA-N -1 3 357.410 3.268 20 0 FGADHM COc1cc(CN[C@@H](CO)c2ccsc2)cc(Br)c1[O-] ZINC000472048113 502210246 /nfs/dbraw/zinc/21/02/46/502210246.db2.gz KDRNBIXYQSGQAT-LBPRGKRZSA-N -1 3 358.257 3.048 20 0 FGADHM CC[C@@H](C)c1nc([C@@H](C)[N-]S(=O)(=O)c2ccccc2SC)n[nH]1 ZINC000486621158 502210873 /nfs/dbraw/zinc/21/08/73/502210873.db2.gz RJOTWQQJRJJLJQ-GHMZBOCLSA-N -1 3 354.501 3.080 20 0 FGADHM CC[C@@H](C)c1nnc([C@@H](C)[N-]S(=O)(=O)c2ccccc2SC)[nH]1 ZINC000486621158 502210878 /nfs/dbraw/zinc/21/08/78/502210878.db2.gz RJOTWQQJRJJLJQ-GHMZBOCLSA-N -1 3 354.501 3.080 20 0 FGADHM CC[C@H](C)c1nc([C@@H](C)[N-]S(=O)(=O)c2cc(C)ccc2Cl)n[nH]1 ZINC000486631669 502213791 /nfs/dbraw/zinc/21/37/91/502213791.db2.gz QFBCNPZJHYPODV-WDEREUQCSA-N -1 3 356.879 3.320 20 0 FGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](CCO)c2ccco2)c1Cl ZINC000468873340 502214248 /nfs/dbraw/zinc/21/42/48/502214248.db2.gz IADQZJWDKWZQPX-LLVKDONJSA-N -1 3 364.250 3.297 20 0 FGADHM Cc1cccc(F)c1S(=O)(=O)[N-][C@H](c1ccc(F)cc1)[C@@H]1CCCO1 ZINC000475569803 502215142 /nfs/dbraw/zinc/21/51/42/502215142.db2.gz QQLYAYKQTNTTAA-DLBZAZTESA-N -1 3 367.417 3.472 20 0 FGADHM CC(C)c1ccc(C(=O)N[C@@H](C(=O)OC(C)(C)C)c2ccnn2C)c([O-])c1 ZINC000592898184 506300443 /nfs/dbraw/zinc/30/04/43/506300443.db2.gz JGPQANBBYFMPFV-QGZVFWFLSA-N -1 3 373.453 3.062 20 0 FGADHM Cc1cccc2c(=O)c(C(=O)N3CCC(C(=O)OC(C)(C)C)CC3)c[n-]c12 ZINC000482959504 502228796 /nfs/dbraw/zinc/22/87/96/502228796.db2.gz LZPLYLIVSNLCLH-UHFFFAOYSA-N -1 3 370.449 3.030 20 0 FGADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]Cc1cccc(N(C)C)c1 ZINC000472101682 502231429 /nfs/dbraw/zinc/23/14/29/502231429.db2.gz IYACPCMWBBMJPV-UHFFFAOYSA-N -1 3 362.426 3.425 20 0 FGADHM O=C(CCCc1ccc([O-])c(F)c1)NCc1cccnc1OCC(F)F ZINC000468952223 502241405 /nfs/dbraw/zinc/24/14/05/502241405.db2.gz KVLMODFKQOHGKH-UHFFFAOYSA-N -1 3 368.355 3.209 20 0 FGADHM CCCc1ccc(-c2cc(=NC(=O)c3ncn(C(C)(C)C)n3)[nH][n-]2)cc1 ZINC000461930911 502242416 /nfs/dbraw/zinc/24/24/16/502242416.db2.gz JWPWLDRUYVEJLJ-UHFFFAOYSA-N -1 3 352.442 3.050 20 0 FGADHM CC(=O)c1cc(C(=O)N=c2cc(-c3cc(F)cc(F)c3)[n-][nH]2)c(C)nc1C ZINC000486743661 502248456 /nfs/dbraw/zinc/24/84/56/502248456.db2.gz TWRUDOMKGDOMKH-UHFFFAOYSA-N -1 3 370.359 3.244 20 0 FGADHM O=C(NCCn1c2ccccc2c2ccccc21)NCc1ncccc1[O-] ZINC000472163968 502254563 /nfs/dbraw/zinc/25/45/63/502254563.db2.gz ROZDLGPRHSEULV-UHFFFAOYSA-N -1 3 360.417 3.395 20 0 FGADHM CC(=O)NCc1ccc(NC(=O)c2c[n-]c3c(C)cc(C)cc3c2=O)cc1 ZINC000483050934 502257220 /nfs/dbraw/zinc/25/72/20/502257220.db2.gz SHQJTLCVPSMKTG-UHFFFAOYSA-N -1 3 363.417 3.033 20 0 FGADHM CC[C@@H](NC(=O)NCc1nnc(C(F)(F)F)[n-]1)c1cc(F)ccc1F ZINC000483097518 502271054 /nfs/dbraw/zinc/27/10/54/502271054.db2.gz HLUMWGCLEVBIJA-SNVBAGLBSA-N -1 3 363.290 3.052 20 0 FGADHM CC[C@@H](NC(=O)NCc1n[n-]c(C(F)(F)F)n1)c1cc(F)ccc1F ZINC000483097518 502271058 /nfs/dbraw/zinc/27/10/58/502271058.db2.gz HLUMWGCLEVBIJA-SNVBAGLBSA-N -1 3 363.290 3.052 20 0 FGADHM CC[C@@H](NC(=O)NCc1nc(C(F)(F)F)n[n-]1)c1cc(F)ccc1F ZINC000483097518 502271061 /nfs/dbraw/zinc/27/10/61/502271061.db2.gz HLUMWGCLEVBIJA-SNVBAGLBSA-N -1 3 363.290 3.052 20 0 FGADHM Cc1cc(C)c2[n-]cc(C(=O)Nc3cccc([S@@](C)=O)c3)c(=O)c2c1 ZINC000483132915 502285085 /nfs/dbraw/zinc/28/50/85/502285085.db2.gz WWDDKQVVQBPTJI-RUZDIDTESA-N -1 3 354.431 3.135 20 0 FGADHM Cc1cc(F)c(S(=O)(=O)[N-]Cc2ncoc2-c2ccccc2)cc1F ZINC000475767170 502286077 /nfs/dbraw/zinc/28/60/77/502286077.db2.gz GGXUELNJAOOWNM-UHFFFAOYSA-N -1 3 364.373 3.407 20 0 FGADHM CC(C)(COCC(F)F)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000469083963 502291807 /nfs/dbraw/zinc/29/18/07/502291807.db2.gz TVWVKBGMGZWYDD-UHFFFAOYSA-N -1 3 366.202 3.079 20 0 FGADHM Cc1cc(C)c2[n-]cc(C(=O)N3CCN(c4cccs4)CC3)c(=O)c2c1 ZINC000483155479 502295831 /nfs/dbraw/zinc/29/58/31/502295831.db2.gz OTCRRAJZDFRMNI-UHFFFAOYSA-N -1 3 367.474 3.169 20 0 FGADHM O=S(=O)(C[C@H]1CCCCO1)[N-]c1cc(F)cc(NCC(F)(F)F)c1 ZINC000475817175 502300277 /nfs/dbraw/zinc/30/02/77/502300277.db2.gz VHSQEYPGTWSINC-CYBMUJFWSA-N -1 3 370.368 3.111 20 0 FGADHM CC[C@@H](Oc1ccccc1C)C(=O)[N-]c1nc(C)nn1-c1ccccc1 ZINC000479572675 502301479 /nfs/dbraw/zinc/30/14/79/502301479.db2.gz FXCVDBJEDJPWCW-QGZVFWFLSA-N -1 3 350.422 3.102 20 0 FGADHM Cc1nc(C)c(CC[N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)s1 ZINC000462106140 502309662 /nfs/dbraw/zinc/30/96/62/502309662.db2.gz RVELKFLZTDCYEC-UHFFFAOYSA-N -1 3 370.443 3.361 20 0 FGADHM O=C(Nc1nnc(-c2ccco2)[n-]1)c1cccc(COC2CCOCC2)c1 ZINC000486991383 502325049 /nfs/dbraw/zinc/32/50/49/502325049.db2.gz VQGWSQRMWCYXOL-UHFFFAOYSA-N -1 3 368.393 3.013 20 0 FGADHM O=C(Nc1nc(-c2ccco2)n[n-]1)c1cccc(COC2CCOCC2)c1 ZINC000486991383 502325054 /nfs/dbraw/zinc/32/50/54/502325054.db2.gz VQGWSQRMWCYXOL-UHFFFAOYSA-N -1 3 368.393 3.013 20 0 FGADHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1cccc(COC2CCOCC2)c1 ZINC000486991383 502325060 /nfs/dbraw/zinc/32/50/60/502325060.db2.gz VQGWSQRMWCYXOL-UHFFFAOYSA-N -1 3 368.393 3.013 20 0 FGADHM Cc1[nH]c2ccccc2c1CC[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000462171126 502333201 /nfs/dbraw/zinc/33/32/01/502333201.db2.gz YWLCOMUFCWSBNG-UHFFFAOYSA-N -1 3 368.380 3.415 20 0 FGADHM CCc1cc(C(=O)N=c2cc(-c3cc(C)c(C)cc3C)[n-][nH]2)cc(=O)[nH]1 ZINC000483282626 502338275 /nfs/dbraw/zinc/33/82/75/502338275.db2.gz JUWGELBKTWCABW-UHFFFAOYSA-N -1 3 350.422 3.339 20 0 FGADHM Cc1cccc2c(=O)c(C(=O)N3CC[C@@H](n4ncc5ccccc54)C3)c[n-]c12 ZINC000483370101 502364363 /nfs/dbraw/zinc/36/43/63/502364363.db2.gz BGQFGNKFBWOSKO-MRXNPFEDSA-N -1 3 372.428 3.273 20 0 FGADHM O=c1[n-]c(SCCc2cscn2)nc2c1cnn2-c1ccccc1 ZINC000487130233 502367603 /nfs/dbraw/zinc/36/76/03/502367603.db2.gz SPDUOEVMKILPQG-UHFFFAOYSA-N -1 3 355.448 3.312 20 0 FGADHM O=C(COc1ccccc1Cl)Nc1nnc(-c2c(F)cccc2F)[n-]1 ZINC000479761954 502369681 /nfs/dbraw/zinc/36/96/81/502369681.db2.gz FEJBVVNWCLJPOX-UHFFFAOYSA-N -1 3 364.739 3.421 20 0 FGADHM O=C(COc1ccccc1Cl)Nc1nc(-c2c(F)cccc2F)n[n-]1 ZINC000479761954 502369687 /nfs/dbraw/zinc/36/96/87/502369687.db2.gz FEJBVVNWCLJPOX-UHFFFAOYSA-N -1 3 364.739 3.421 20 0 FGADHM O=C(COc1ccccc1Cl)Nc1n[n-]c(-c2c(F)cccc2F)n1 ZINC000479761954 502369690 /nfs/dbraw/zinc/36/96/90/502369690.db2.gz FEJBVVNWCLJPOX-UHFFFAOYSA-N -1 3 364.739 3.421 20 0 FGADHM CCCCN1CCCC[C@H]1C[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000462270995 502375141 /nfs/dbraw/zinc/37/51/41/502375141.db2.gz PERUYMRVRVPDKL-LBPRGKRZSA-N -1 3 364.433 3.037 20 0 FGADHM COc1ccccc1[C@@]1(C)C[C@@H]1[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000462304741 502385842 /nfs/dbraw/zinc/38/58/42/502385842.db2.gz FMFIMGICLLNQRC-DOTOQJQBSA-N -1 3 369.845 3.496 20 0 FGADHM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)c2cccc(Cl)c2C)o1 ZINC000462322905 502392481 /nfs/dbraw/zinc/39/24/81/502392481.db2.gz RQWKTFFVDPIINK-CQSZACIVSA-N -1 3 357.859 3.470 20 0 FGADHM CCCC[C@@H](COC)[N-]S(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000462348620 502402858 /nfs/dbraw/zinc/40/28/58/502402858.db2.gz WREYMHUXOIETQB-JTQLQIEISA-N -1 3 370.298 3.486 20 0 FGADHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)C(C)C)cc1)c1nccs1 ZINC000462350602 502403544 /nfs/dbraw/zinc/40/35/44/502403544.db2.gz CKIIFFTUFOKKRQ-CQSZACIVSA-N -1 3 352.481 3.411 20 0 FGADHM CC[C@@H]1CN(C(C)=O)[C@@H](CC)CN1C(=O)CCCc1ccc([O-])c(F)c1 ZINC000469423506 502411378 /nfs/dbraw/zinc/41/13/78/502411378.db2.gz BBOJVUXXYTWZBQ-DLBZAZTESA-N -1 3 364.461 3.102 20 0 FGADHM COc1ccc(Cl)cc1CS(=O)(=O)[N-]CC1(OC)CCCCC1 ZINC000476221126 502418561 /nfs/dbraw/zinc/41/85/61/502418561.db2.gz RZXDLWVVEANWCU-UHFFFAOYSA-N -1 3 361.891 3.117 20 0 FGADHM CCOc1nc2ccc(C(=O)Nc3ccc(F)c(NC(C)=O)c3)cc2[n-]1 ZINC000469445961 502421240 /nfs/dbraw/zinc/42/12/40/502421240.db2.gz JACPVRKUJVMMCD-UHFFFAOYSA-N -1 3 356.357 3.311 20 0 FGADHM CCOc1nc2cc(C(=O)Nc3ccc(F)c(NC(C)=O)c3)ccc2[n-]1 ZINC000469445961 502421243 /nfs/dbraw/zinc/42/12/43/502421243.db2.gz JACPVRKUJVMMCD-UHFFFAOYSA-N -1 3 356.357 3.311 20 0 FGADHM O=S(=O)([N-][C@@H](CO)c1ccsc1)c1cc(Cl)cc(Cl)c1 ZINC000472707866 502422742 /nfs/dbraw/zinc/42/27/42/502422742.db2.gz LKDSKKFWDVWNBE-LBPRGKRZSA-N -1 3 352.264 3.067 20 0 FGADHM COC[C@@H]([N-]S(=O)(=O)c1cc(C)ccc1F)c1ccc(Cl)cc1 ZINC000487346996 502422874 /nfs/dbraw/zinc/42/28/74/502422874.db2.gz RFWFXGRYOTZPPN-OAHLLOKOSA-N -1 3 357.834 3.454 20 0 FGADHM O=S(=O)([N-][C@H](CO)c1ccsc1)c1cc(Cl)cc(Cl)c1 ZINC000472707865 502423130 /nfs/dbraw/zinc/42/31/30/502423130.db2.gz LKDSKKFWDVWNBE-GFCCVEGCSA-N -1 3 352.264 3.067 20 0 FGADHM O=S(=O)([N-][C@@H](CO)c1ccsc1)c1cc(Cl)ccc1Cl ZINC000472703901 502423199 /nfs/dbraw/zinc/42/31/99/502423199.db2.gz LLGIKHVOYSESTD-NSHDSACASA-N -1 3 352.264 3.067 20 0 FGADHM Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)NCc2nnc(C(F)(F)F)[n-]2)C1 ZINC000483546297 502428061 /nfs/dbraw/zinc/42/80/61/502428061.db2.gz VPBAYDQFSGGLLW-NWDGAFQWSA-N -1 3 367.375 3.220 20 0 FGADHM Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)NCc2n[n-]c(C(F)(F)F)n2)C1 ZINC000483546297 502428066 /nfs/dbraw/zinc/42/80/66/502428066.db2.gz VPBAYDQFSGGLLW-NWDGAFQWSA-N -1 3 367.375 3.220 20 0 FGADHM Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)NCc2nc(C(F)(F)F)n[n-]2)C1 ZINC000483546297 502428071 /nfs/dbraw/zinc/42/80/71/502428071.db2.gz VPBAYDQFSGGLLW-NWDGAFQWSA-N -1 3 367.375 3.220 20 0 FGADHM COCC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)c1ccc(C)o1 ZINC000479950224 502428614 /nfs/dbraw/zinc/42/86/14/502428614.db2.gz QEHIZERRJHCJJK-CYBMUJFWSA-N -1 3 361.822 3.437 20 0 FGADHM C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000483565210 502432697 /nfs/dbraw/zinc/43/26/97/502432697.db2.gz JADNDGSCNYRBPY-NSHDSACASA-N -1 3 367.375 3.334 20 0 FGADHM C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000483565210 502432703 /nfs/dbraw/zinc/43/27/03/502432703.db2.gz JADNDGSCNYRBPY-NSHDSACASA-N -1 3 367.375 3.334 20 0 FGADHM C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000483565210 502432710 /nfs/dbraw/zinc/43/27/10/502432710.db2.gz JADNDGSCNYRBPY-NSHDSACASA-N -1 3 367.375 3.334 20 0 FGADHM COc1ccccc1C[C@H](C)N(C)C(=O)c1c[n-]c2ccccc2c1=O ZINC000479993904 502440075 /nfs/dbraw/zinc/44/00/75/502440075.db2.gz QPBZKOGZOUUJJD-AWEZNQCLSA-N -1 3 350.418 3.240 20 0 FGADHM Cc1ccccc1[C@H](NC(=O)c1[nH]c(=O)[n-]c(=O)c1N)[C@H]1CCC[C@@H](C)C1 ZINC000469509082 502446371 /nfs/dbraw/zinc/44/63/71/502446371.db2.gz UBGBREZIXCPUAF-PVXIVEMSSA-N -1 3 370.453 3.076 20 0 FGADHM O=S(=O)([N-][C@H]1C[C@@H]1Cc1ccccc1)c1ccc(Br)s1 ZINC000462495951 502465046 /nfs/dbraw/zinc/46/50/46/502465046.db2.gz RLXJNXSEYWDUKE-RYUDHWBXSA-N -1 3 372.309 3.420 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)Cc1ccon1)c1c(Cl)ccc(F)c1Cl ZINC000462543685 502481320 /nfs/dbraw/zinc/48/13/20/502481320.db2.gz USXCMFRFGIHCKZ-SSDOTTSWSA-N -1 3 353.202 3.301 20 0 FGADHM CCc1cc(C(=O)NCCCCn2cc(Br)cn2)ccc1[O-] ZINC000487576306 502482795 /nfs/dbraw/zinc/48/27/95/502482795.db2.gz WPZBIYQQMUGCJK-UHFFFAOYSA-N -1 3 366.259 3.124 20 0 FGADHM Cc1[n-][nH]c(=O)c1CCNC(=O)C[C@@H](Cc1ccccc1)c1ccccc1 ZINC000607907584 506315952 /nfs/dbraw/zinc/31/59/52/506315952.db2.gz PYJHRXGWDXBXGL-UXHICEINSA-N -1 3 363.461 3.031 20 0 FGADHM Cc1cccc(F)c1S(=O)(=O)[N-][C@@H](C)c1cnn(Cc2ccccc2)c1 ZINC000476424056 502485497 /nfs/dbraw/zinc/48/54/97/502485497.db2.gz PPJJHLAPQOZWHY-HNNXBMFYSA-N -1 3 373.453 3.418 20 0 FGADHM O=C(CCCc1ccc([O-])c(F)c1)NC1(C(=O)Nc2ccccc2)CC1 ZINC000469636914 502487137 /nfs/dbraw/zinc/48/71/37/502487137.db2.gz DXYOCHFFBICEJZ-UHFFFAOYSA-N -1 3 356.397 3.142 20 0 FGADHM CCc1c([N-]S(=O)(=O)N(CC)CC)cnn1-c1cccc(Cl)c1 ZINC000480227013 502506322 /nfs/dbraw/zinc/50/63/22/502506322.db2.gz MMPFOFUZBOVTDE-UHFFFAOYSA-N -1 3 356.879 3.087 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)c1c(C)nn(C)c1C ZINC000462618029 502509405 /nfs/dbraw/zinc/50/94/05/502509405.db2.gz ODRQEYNRVGLKNI-ZDUSSCGKSA-N -1 3 359.854 3.259 20 0 FGADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)Nc1ccc(OC2CCCC2)cc1 ZINC000480238135 502510602 /nfs/dbraw/zinc/51/06/02/502510602.db2.gz ALVUZJNREXYKIW-UHFFFAOYSA-N -1 3 369.347 3.467 20 0 FGADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)Nc1ccc(OC2CCCC2)cc1 ZINC000480238135 502510609 /nfs/dbraw/zinc/51/06/09/502510609.db2.gz ALVUZJNREXYKIW-UHFFFAOYSA-N -1 3 369.347 3.467 20 0 FGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)Nc1ccc(OC2CCCC2)cc1 ZINC000480238135 502510613 /nfs/dbraw/zinc/51/06/13/502510613.db2.gz ALVUZJNREXYKIW-UHFFFAOYSA-N -1 3 369.347 3.467 20 0 FGADHM COCC[C@H]([N-]S(=O)(=O)c1ccc2ncsc2c1)c1ccc(C)o1 ZINC000476519890 502512391 /nfs/dbraw/zinc/51/23/91/502512391.db2.gz YVDRCBLFTPHTGA-ZDUSSCGKSA-N -1 3 366.464 3.254 20 0 FGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)C[C@@H](C)C(=O)c2ccccc2)c1 ZINC000607915340 506318895 /nfs/dbraw/zinc/31/88/95/506318895.db2.gz TVXXAUNGQIMJQI-CQSZACIVSA-N -1 3 374.462 3.214 20 0 FGADHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)C12CCCC2 ZINC000462687408 502534950 /nfs/dbraw/zinc/53/49/50/502534950.db2.gz ZCFKEKVPIKFMQM-UONOGXRCSA-N -1 3 363.401 3.120 20 0 FGADHM C[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1Cl)Oc1cccc(F)c1 ZINC000462712605 502543914 /nfs/dbraw/zinc/54/39/14/502543914.db2.gz YEZKGVKOGSSUPQ-SNVBAGLBSA-N -1 3 361.797 3.364 20 0 FGADHM C[C@@H]([C@H](C)NC(=O)CC[N-]S(=O)(=O)c1cccs1)C1CCCCC1 ZINC000480353435 502544568 /nfs/dbraw/zinc/54/45/68/502544568.db2.gz LGUJLHZQTLXJSW-KBPBESRZSA-N -1 3 372.556 3.138 20 0 FGADHM COc1cc(F)c(S(=O)(=O)[N-]Cc2cccc(C(C)C)c2)cc1OC ZINC000476629158 502545023 /nfs/dbraw/zinc/54/50/23/502545023.db2.gz IBNYXLMKKUOZRJ-UHFFFAOYSA-N -1 3 367.442 3.445 20 0 FGADHM Cc1cc(C)c(NC(=O)NCc2ncccc2[O-])c(Br)c1 ZINC000469922761 502597599 /nfs/dbraw/zinc/59/75/99/502597599.db2.gz FQYXBDULSQQICB-UHFFFAOYSA-N -1 3 350.216 3.488 20 0 FGADHM CCOC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2F)c1 ZINC000473472113 502603638 /nfs/dbraw/zinc/60/36/38/502603638.db2.gz PJULXYZVXBOIHD-UHFFFAOYSA-N -1 3 351.399 3.420 20 0 FGADHM C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000473528250 502624355 /nfs/dbraw/zinc/62/43/55/502624355.db2.gz PCYZVWUHIBCGCZ-SRGMZFCMSA-N -1 3 368.458 3.099 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]Cc2ccccc2N(C)C(C)C)c(F)c1 ZINC000480671756 502637477 /nfs/dbraw/zinc/63/74/77/502637477.db2.gz FWHAVKJQTIWOJU-UHFFFAOYSA-N -1 3 366.458 3.157 20 0 FGADHM CCOC(=O)c1c(C)c2ccccc2nc1CN1CCC[C@@H](C)[C@@H]1C(=O)[O-] ZINC000592992163 506325755 /nfs/dbraw/zinc/32/57/55/506325755.db2.gz ZWJAQGRESVZBPW-BFUOFWGJSA-N -1 3 370.449 3.405 20 0 FGADHM CCOc1cccc([C@@H]2C[C@@H]2[N-]S(=O)(=O)c2ccc(OC)cc2F)c1 ZINC000480689911 502644131 /nfs/dbraw/zinc/64/41/31/502644131.db2.gz PMGIOPIJXIWIGV-RDJZCZTQSA-N -1 3 365.426 3.067 20 0 FGADHM Cc1cc(F)c(Br)cc1S(=O)(=O)[N-]CCC(F)(F)F ZINC000480688878 502644268 /nfs/dbraw/zinc/64/42/68/502644268.db2.gz LBEJAQDCYHUZNR-UHFFFAOYSA-N -1 3 364.158 3.127 20 0 FGADHM Cc1nc(C)c(CC(=O)N2CCC[C@H](c3ccc(F)cc3)CC2)c(=O)[n-]1 ZINC000484462801 502646700 /nfs/dbraw/zinc/64/67/00/502646700.db2.gz FFQZIIDWXWNYMQ-HNNXBMFYSA-N -1 3 357.429 3.277 20 0 FGADHM C[C@@H]1CCC[C@H]1CNC(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000466707417 502648072 /nfs/dbraw/zinc/64/80/72/502648072.db2.gz YYDWCXGLHFNLFI-ZBFHGGJFSA-N -1 3 359.470 3.189 20 0 FGADHM COCCC1(C(=O)Nc2nnc(-c3c(F)cccc3F)[n-]2)CCCC1 ZINC000473610152 502653899 /nfs/dbraw/zinc/65/38/99/502653899.db2.gz QNVRRKPKKZWVIA-UHFFFAOYSA-N -1 3 350.369 3.285 20 0 FGADHM COCCC1(C(=O)Nc2nc(-c3c(F)cccc3F)n[n-]2)CCCC1 ZINC000473610152 502653906 /nfs/dbraw/zinc/65/39/06/502653906.db2.gz QNVRRKPKKZWVIA-UHFFFAOYSA-N -1 3 350.369 3.285 20 0 FGADHM COCCC1(C(=O)Nc2n[n-]c(-c3c(F)cccc3F)n2)CCCC1 ZINC000473610152 502653910 /nfs/dbraw/zinc/65/39/10/502653910.db2.gz QNVRRKPKKZWVIA-UHFFFAOYSA-N -1 3 350.369 3.285 20 0 FGADHM Cc1cccc(C[C@H](CO)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000466728762 502656805 /nfs/dbraw/zinc/65/68/05/502656805.db2.gz KGNZTMVBBKXSAB-CQSZACIVSA-N -1 3 374.289 3.184 20 0 FGADHM O=S(=O)(NCc1ncccc1[O-])c1cc2cc(Cl)ccc2s1 ZINC000480742420 502658754 /nfs/dbraw/zinc/65/87/54/502658754.db2.gz RIQHSPDJVLGZCF-UHFFFAOYSA-N -1 3 354.840 3.134 20 0 FGADHM CCc1ncc(S(=O)(=O)[N-][C@H]2CC[C@H](c3ccc(F)cc3)C2)s1 ZINC000480747874 502660694 /nfs/dbraw/zinc/66/06/94/502660694.db2.gz JFXBVYLVHXQNAT-JSGCOSHPSA-N -1 3 354.472 3.459 20 0 FGADHM O=C(NCc1ncccc1[O-])c1ccc(Br)c(Cl)c1F ZINC000473638576 502663183 /nfs/dbraw/zinc/66/31/83/502663183.db2.gz MRKDEAQGHWJBAO-UHFFFAOYSA-N -1 3 359.582 3.272 20 0 FGADHM CC[C@@H](C)Oc1ccc(NC(=O)NCc2nnc(C(F)(F)F)[n-]2)cc1 ZINC000480803690 502674985 /nfs/dbraw/zinc/67/49/85/502674985.db2.gz KYBYWZJSMBFGLC-SECBINFHSA-N -1 3 357.336 3.323 20 0 FGADHM CC[C@@H](C)Oc1ccc(NC(=O)NCc2n[n-]c(C(F)(F)F)n2)cc1 ZINC000480803690 502674988 /nfs/dbraw/zinc/67/49/88/502674988.db2.gz KYBYWZJSMBFGLC-SECBINFHSA-N -1 3 357.336 3.323 20 0 FGADHM CC[C@@H](C)Oc1ccc(NC(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000480803690 502674991 /nfs/dbraw/zinc/67/49/91/502674991.db2.gz KYBYWZJSMBFGLC-SECBINFHSA-N -1 3 357.336 3.323 20 0 FGADHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H]2CCC2CCCC2)c(C)o1 ZINC000488272691 502675774 /nfs/dbraw/zinc/67/57/74/502675774.db2.gz OCCWHHIZWFYZBA-HNNXBMFYSA-N -1 3 368.499 3.071 20 0 FGADHM Cc1cc(F)c(S(=O)(=O)[N-][C@H]2CCCc3c(O)cccc32)cc1F ZINC000480868192 502694591 /nfs/dbraw/zinc/69/45/91/502694591.db2.gz OLXJGLKTTKDAOG-HNNXBMFYSA-N -1 3 353.390 3.335 20 0 FGADHM CN(Cc1nc2ccsc2c(=O)[n-]1)C(=O)CC1CC(OC(C)(C)C)C1 ZINC000488387871 502701504 /nfs/dbraw/zinc/70/15/04/502701504.db2.gz QVZFAQMGNZYWAJ-UHFFFAOYSA-N -1 3 363.483 3.339 20 0 FGADHM CCOC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc3[nH]c(C)nc3c2)c1 ZINC000473767670 502702016 /nfs/dbraw/zinc/70/20/16/502702016.db2.gz RTPRQWYGDDOTGX-UHFFFAOYSA-N -1 3 373.434 3.157 20 0 FGADHM CCOC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc3nc(C)[nH]c3c2)c1 ZINC000473767670 502702020 /nfs/dbraw/zinc/70/20/20/502702020.db2.gz RTPRQWYGDDOTGX-UHFFFAOYSA-N -1 3 373.434 3.157 20 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ZINC000510267444 503082331 /nfs/dbraw/zinc/08/23/31/503082331.db2.gz LJCFBRDIUVWRSE-HNNXBMFYSA-N -1 3 363.465 3.485 20 0 FGADHM COC(=O)c1sccc1S(=O)(=O)[N-]C[C@@H]1CCCCC(F)(F)C1 ZINC000489992387 503084104 /nfs/dbraw/zinc/08/41/04/503084104.db2.gz HGLDHRFQTLHDAB-SNVBAGLBSA-N -1 3 367.439 3.029 20 0 FGADHM COc1ccc([C@H]2C[C@H](NC(=O)c3cc(=O)c4ccccc4[n-]3)C2)cc1F ZINC000506291000 503087753 /nfs/dbraw/zinc/08/77/53/503087753.db2.gz RJIWZQWRCBNPTB-HDJSIYSDSA-N -1 3 366.392 3.352 20 0 FGADHM O=S(=O)([N-]CC1CC(F)(F)C1)c1cccc(Cl)c1Br ZINC000490012018 503089667 /nfs/dbraw/zinc/08/96/67/503089667.db2.gz AKHGTAADYRARNZ-UHFFFAOYSA-N -1 3 374.634 3.426 20 0 FGADHM CCOC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2Cl)c1 ZINC000501842048 503091334 /nfs/dbraw/zinc/09/13/34/503091334.db2.gz OFXHLBBOZGOQMX-UHFFFAOYSA-N -1 3 357.790 3.457 20 0 FGADHM CC[C@@H](C)N[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1F)c1ccco1 ZINC000510398548 503106280 /nfs/dbraw/zinc/10/62/80/503106280.db2.gz WHAOTNTXTGESKE-RISCZKNCSA-N -1 3 374.865 3.480 20 0 FGADHM CC[C@H](C)N[C@@H](C[N-]S(=O)(=O)c1cccc(C)c1F)c1ccco1 ZINC000510411339 503109174 /nfs/dbraw/zinc/10/91/74/503109174.db2.gz JADDDQYXBQPEOK-KBPBESRZSA-N -1 3 354.447 3.135 20 0 FGADHM Cn1ccnc1[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C1CC1 ZINC000510447707 503117205 /nfs/dbraw/zinc/11/72/05/503117205.db2.gz MVCVZUFYCFEVNH-ZDUSSCGKSA-N -1 3 360.266 3.157 20 0 FGADHM O=S(=O)([N-][C@H](CCO)c1ccc(Cl)c(Cl)c1)c1cccs1 ZINC000510485647 503124529 /nfs/dbraw/zinc/12/45/29/503124529.db2.gz OOOYVWCIYQGCHC-GFCCVEGCSA-N -1 3 366.291 3.457 20 0 FGADHM O=S(=O)([N-][C@@H]1CCCc2cc(OC(F)F)ccc21)c1cscn1 ZINC000582662880 506353278 /nfs/dbraw/zinc/35/32/78/506353278.db2.gz GBIHDWKOWWALQO-GFCCVEGCSA-N -1 3 360.407 3.100 20 0 FGADHM COC(=O)c1cccc([N-]S(=O)(=O)CCc2cccc(Cl)c2)c1 ZINC000506559927 503136181 /nfs/dbraw/zinc/13/61/81/503136181.db2.gz HKWFJOJJGITUNQ-UHFFFAOYSA-N -1 3 353.827 3.111 20 0 FGADHM O=C(c1c[n-]c2c(F)cc(F)cc2c1=O)N1CCSC2(CCC2)CC1 ZINC000514587890 503142930 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O=C(Cc1ccc(Br)cc1[O-])N1CCc2ccc(F)cc21 ZINC000506690911 503157023 /nfs/dbraw/zinc/15/70/23/503157023.db2.gz SMYIQXMBIYHRNF-UHFFFAOYSA-N -1 3 350.187 3.426 20 0 FGADHM C[C@@H]1CN(C(=O)c2cc3c(cc2[O-])CCCC3)C[C@]2(CCO[C@H](C)C2)O1 ZINC000514649917 503157424 /nfs/dbraw/zinc/15/74/24/503157424.db2.gz XJXWFYMKLBKPQN-VTJXTGGHSA-N -1 3 359.466 3.070 20 0 FGADHM CCC(CC)([N-]S(=O)(=O)Cc1ccc(Cl)c(Cl)c1)C(=O)OC ZINC000510633172 503160455 /nfs/dbraw/zinc/16/04/55/503160455.db2.gz DUIINSZLHUDMPU-UHFFFAOYSA-N -1 3 368.282 3.145 20 0 FGADHM COCC[C@@H]([N-]S(=O)(=O)c1ccccc1C(F)(F)F)C(C)(C)C ZINC000510638702 503161846 /nfs/dbraw/zinc/16/18/46/503161846.db2.gz SQJWBBJQPOUCPI-CYBMUJFWSA-N -1 3 353.406 3.435 20 0 FGADHM Cc1n[nH]c(C)c1[C@@H](C)CC(=O)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1 ZINC000490394099 503166993 /nfs/dbraw/zinc/16/69/93/503166993.db2.gz AEDCVJVZTMYUHZ-VIFPVBQESA-N -1 3 359.380 3.249 20 0 FGADHM COc1cc(F)c(S(=O)(=O)[N-]C(C)(C)c2ccccc2F)cc1OC ZINC000490442158 503174545 /nfs/dbraw/zinc/17/45/45/503174545.db2.gz GPDURBUCCKQYOB-UHFFFAOYSA-N -1 3 371.405 3.196 20 0 FGADHM CC(C)([N-]S(=O)(=O)c1cccnc1C(F)(F)F)c1ccccc1F ZINC000490474803 503180366 /nfs/dbraw/zinc/18/03/66/503180366.db2.gz DUQSUVXSDOEINF-UHFFFAOYSA-N -1 3 362.348 3.453 20 0 FGADHM Cc1cc([N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)ccn1 ZINC000506847987 503183271 /nfs/dbraw/zinc/18/32/71/503183271.db2.gz CYBROLZCQZNORN-UHFFFAOYSA-N -1 3 350.749 3.285 20 0 FGADHM COCCn1cc2c(n1)[C@@H](NCc1cc([O-])cc(C(F)(F)F)c1)CCC2 ZINC000514759905 503185716 /nfs/dbraw/zinc/18/57/16/503185716.db2.gz BOZJWSKCSRDZHO-INIZCTEOSA-N -1 3 369.387 3.421 20 0 FGADHM CC(C)[C@]1(C(=O)[O-])CCN(Cc2cc3c(cc2Br)OCO3)C1 ZINC000514791328 503193822 /nfs/dbraw/zinc/19/38/22/503193822.db2.gz NDBXABOXZVVPDV-INIZCTEOSA-N -1 3 370.243 3.111 20 0 FGADHM CCn1cc(S(=O)(=O)[N-][C@H](CC(C)C)c2ccccc2OC)nc1C ZINC000502426116 503197895 /nfs/dbraw/zinc/19/78/95/503197895.db2.gz IQZJVWAKKLWONM-MRXNPFEDSA-N -1 3 365.499 3.286 20 0 FGADHM Cc1cc(C(=O)N2CCN(Cc3nc4ccccc4s3)CC2)ccc1[O-] ZINC000498513656 503200183 /nfs/dbraw/zinc/20/01/83/503200183.db2.gz ZQMWGERFQIBJBH-UHFFFAOYSA-N -1 3 367.474 3.268 20 0 FGADHM CCOC(=O)CC(C)(C)N(C)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000490670911 503211771 /nfs/dbraw/zinc/21/17/71/503211771.db2.gz FHOIGDNJDTWNQR-UHFFFAOYSA-N -1 3 357.410 3.245 20 0 FGADHM O=c1nc(CN(CCO)CC2CC2)[n-]c2sc(-c3ccccc3)cc21 ZINC000510949073 503223357 /nfs/dbraw/zinc/22/33/57/503223357.db2.gz GMZHPZLKZKQXAK-UHFFFAOYSA-N -1 3 355.463 3.268 20 0 FGADHM O=C(NCc1ccc(-n2cnc3ccccc32)cc1)c1ccc2n[n-]nc2c1 ZINC000490878745 503240070 /nfs/dbraw/zinc/24/00/70/503240070.db2.gz NBZFGORJNSPSDT-UHFFFAOYSA-N -1 3 368.400 3.227 20 0 FGADHM CC(C)NC(=O)NCc1ccc(C(=O)N2CCCc3cccc([O-])c32)cc1 ZINC000490896218 503242461 /nfs/dbraw/zinc/24/24/61/503242461.db2.gz GXWABOZZJVVSGN-UHFFFAOYSA-N -1 3 367.449 3.193 20 0 FGADHM Cn1[n-]c(=NC(=O)C(C)(C)c2cccc(Cl)c2F)cc1OC(F)F ZINC000490970150 503254328 /nfs/dbraw/zinc/25/43/28/503254328.db2.gz 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ZINC000498872668 503279672 /nfs/dbraw/zinc/27/96/72/503279672.db2.gz AUPRFGLWYIQRTH-UHFFFAOYSA-N -1 3 364.401 3.426 20 0 FGADHM O=C1C[C@H]([N-]S(=O)(=O)c2ccccc2Br)c2ccccc21 ZINC000498874761 503280660 /nfs/dbraw/zinc/28/06/60/503280660.db2.gz QYBFWAGQTNLUGH-ZDUSSCGKSA-N -1 3 366.236 3.055 20 0 FGADHM Cc1ccc(O[C@@H](C)C(=O)N=c2cc3ccc(Br)cn3[n-]2)cc1 ZINC000511302156 503296281 /nfs/dbraw/zinc/29/62/81/503296281.db2.gz RQTVJFVHBUROFM-LBPRGKRZSA-N -1 3 374.238 3.233 20 0 FGADHM O=C([N-]c1nccn1-c1ccccc1)C(=O)c1ccc(Br)cc1 ZINC000511322190 503300088 /nfs/dbraw/zinc/30/00/88/503300088.db2.gz RIZXYCAVGKUPLG-UHFFFAOYSA-N -1 3 370.206 3.456 20 0 FGADHM Cc1sccc1CC(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000511332174 503301575 /nfs/dbraw/zinc/30/15/75/503301575.db2.gz HJLJTVDLMLHIIT-UHFFFAOYSA-N -1 3 350.241 3.070 20 0 FGADHM O=S(=O)([N-]Cc1cnn2ccccc12)c1ccc(Cl)cc1Cl ZINC000511345343 503303853 /nfs/dbraw/zinc/30/38/53/503303853.db2.gz NBWFHBUWFYMPPT-UHFFFAOYSA-N -1 3 356.234 3.120 20 0 FGADHM O=C(NCc1ccc([O-])c(Br)c1)N1CCCC[C@H]1C(F)F ZINC000507479515 503305743 /nfs/dbraw/zinc/30/57/43/503305743.db2.gz SPUCFCDAXMIQFK-NSHDSACASA-N -1 3 363.202 3.484 20 0 FGADHM C[C@H](C(=O)N=c1cc2ccc(Br)cn2[n-]1)c1ccsc1 ZINC000511392021 503313533 /nfs/dbraw/zinc/31/35/33/503313533.db2.gz RUUUZHPEWZHGHX-VIFPVBQESA-N -1 3 350.241 3.322 20 0 FGADHM O=C([O-])c1ccc(C(=O)NCc2ccccc2CN2CCCCC2)cc1 ZINC000515351534 503321528 /nfs/dbraw/zinc/32/15/28/503321528.db2.gz JLLNJDDMPPOXAS-UHFFFAOYSA-N -1 3 352.434 3.301 20 0 FGADHM O=C(Nc1ccccc1[O-])c1cc(F)ccc1I ZINC000511454136 503324571 /nfs/dbraw/zinc/32/45/71/503324571.db2.gz ARRRMZPPAZWPCA-UHFFFAOYSA-N -1 3 357.122 3.388 20 0 FGADHM CCc1ccc(S(=O)(=O)[N-]c2ccc(OCCCO)cc2)cc1CC ZINC000507580945 503326643 /nfs/dbraw/zinc/32/66/43/503326643.db2.gz IBJIYMXGQWTIML-UHFFFAOYSA-N -1 3 363.479 3.373 20 0 FGADHM Cc1cc([N-]S(=O)(=O)c2cccc(C(=O)N(C)C)c2)c(Cl)cc1F ZINC000507586343 503327714 /nfs/dbraw/zinc/32/77/14/503327714.db2.gz WHAMQSJFHVRVTG-UHFFFAOYSA-N -1 3 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/nfs/dbraw/zinc/39/43/68/503394368.db2.gz RVKIUCXYUYTJLI-UHFFFAOYSA-N -1 3 363.421 3.145 20 0 FGADHM Cc1ccc(NC(=O)c2cccc3n[n-]nc32)cc1C(=O)N1CCCCC1 ZINC000515743521 503394371 /nfs/dbraw/zinc/39/43/71/503394371.db2.gz RVKIUCXYUYTJLI-UHFFFAOYSA-N -1 3 363.421 3.145 20 0 FGADHM COc1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)C(F)(F)F)cc1F ZINC000515751411 503395187 /nfs/dbraw/zinc/39/51/87/503395187.db2.gz JKQCBGVIWSOOQV-AWEZNQCLSA-N -1 3 363.332 3.416 20 0 FGADHM COc1ccc(OCCC[N-]S(=O)(=O)c2cccc(Cl)c2F)cc1 ZINC000511839669 503398056 /nfs/dbraw/zinc/39/80/56/503398056.db2.gz AKXQPYNTGIKZEM-UHFFFAOYSA-N -1 3 373.833 3.235 20 0 FGADHM COc1cc(Br)cc(NC(=O)c2cc(F)cc3[n-]nnc32)c1 ZINC000503511184 503424977 /nfs/dbraw/zinc/42/49/77/503424977.db2.gz DAZIMRHUCCBZAJ-UHFFFAOYSA-N -1 3 365.162 3.120 20 0 FGADHM COc1cc(Br)cc(NC(=O)c2cc(F)cc3nn[n-]c32)c1 ZINC000503511184 503424980 /nfs/dbraw/zinc/42/49/80/503424980.db2.gz DAZIMRHUCCBZAJ-UHFFFAOYSA-N -1 3 365.162 3.120 20 0 FGADHM 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503682243 /nfs/dbraw/zinc/68/22/43/503682243.db2.gz ZAHHYNZWOBXCHS-UHFFFAOYSA-N -1 3 359.389 3.227 20 0 FGADHM O=C(Nc1ccc(OCCc2ccccc2)nc1)c1cccc2[n-]nnc21 ZINC000527108582 503682247 /nfs/dbraw/zinc/68/22/47/503682247.db2.gz ZAHHYNZWOBXCHS-UHFFFAOYSA-N -1 3 359.389 3.227 20 0 FGADHM O=C(Nc1ccc(OCCc2ccccc2)nc1)c1cccc2n[n-]nc21 ZINC000527108582 503682251 /nfs/dbraw/zinc/68/22/51/503682251.db2.gz ZAHHYNZWOBXCHS-UHFFFAOYSA-N -1 3 359.389 3.227 20 0 FGADHM C[C@H]1Cc2ccc(Br)cc2CN1C(=O)c1cccc2[n-]nnc21 ZINC000527112593 503684989 /nfs/dbraw/zinc/68/49/89/503684989.db2.gz KWJAOBCXUKOIBW-JTQLQIEISA-N -1 3 371.238 3.307 20 0 FGADHM C[C@H]1Cc2ccc(Br)cc2CN1C(=O)c1cccc2nn[n-]c21 ZINC000527112593 503684993 /nfs/dbraw/zinc/68/49/93/503684993.db2.gz KWJAOBCXUKOIBW-JTQLQIEISA-N -1 3 371.238 3.307 20 0 FGADHM C[C@H]1Cc2ccc(Br)cc2CN1C(=O)c1cccc2n[n-]nc21 ZINC000527112593 503684997 /nfs/dbraw/zinc/68/49/97/503684997.db2.gz KWJAOBCXUKOIBW-JTQLQIEISA-N -1 3 371.238 3.307 20 0 FGADHM 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598926984 /nfs/dbraw/zinc/92/69/84/598926984.db2.gz DXWCMRTXHKSFNJ-UHFFFAOYSA-N -1 3 365.437 3.222 20 0 FGADHM CC(C)(C)CNC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000735617882 598926986 /nfs/dbraw/zinc/92/69/86/598926986.db2.gz DXWCMRTXHKSFNJ-UHFFFAOYSA-N -1 3 365.437 3.222 20 0 FGADHM C[C@H](c1ccccc1)N(CC1CCC1)C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000736199803 598944471 /nfs/dbraw/zinc/94/44/71/598944471.db2.gz BAWMOFWTASJQTR-CQSZACIVSA-N -1 3 362.437 3.265 20 0 FGADHM C[C@H](c1ccccc1)N(CC1CCC1)C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000736199803 598944472 /nfs/dbraw/zinc/94/44/72/598944472.db2.gz BAWMOFWTASJQTR-CQSZACIVSA-N -1 3 362.437 3.265 20 0 FGADHM CCN([C@@H](C)c1ccc(-c2nnn[n-]2)cc1)S(=O)(=O)CCC(C)(C)C ZINC000736508838 598971607 /nfs/dbraw/zinc/97/16/07/598971607.db2.gz OOAVYFNDZOMCDQ-ZDUSSCGKSA-N -1 3 365.503 3.016 20 0 FGADHM CCN([C@@H](C)c1ccc(-c2nn[n-]n2)cc1)S(=O)(=O)CCC(C)(C)C ZINC000736508838 598971608 /nfs/dbraw/zinc/97/16/08/598971608.db2.gz OOAVYFNDZOMCDQ-ZDUSSCGKSA-N -1 3 365.503 3.016 20 0 FGADHM Cc1c(NCC(=O)Nc2cc(Cl)ccc2F)cccc1-c1nnn[n-]1 ZINC000822121291 607256702 /nfs/dbraw/zinc/25/67/02/607256702.db2.gz CSCPTUPYVRZKJE-UHFFFAOYSA-N -1 3 360.780 3.018 20 0 FGADHM Cc1c(NCC(=O)Nc2cc(Cl)ccc2F)cccc1-c1nn[n-]n1 ZINC000822121291 607256703 /nfs/dbraw/zinc/25/67/03/607256703.db2.gz CSCPTUPYVRZKJE-UHFFFAOYSA-N -1 3 360.780 3.018 20 0 FGADHM Cc1c(NCC(=O)N(c2ccccc2)C(C)C)cccc1-c1nnn[n-]1 ZINC000822116700 607256837 /nfs/dbraw/zinc/25/68/37/607256837.db2.gz WLPWZDMOFOZTAB-UHFFFAOYSA-N -1 3 350.426 3.029 20 0 FGADHM Cc1c(NCC(=O)N(c2ccccc2)C(C)C)cccc1-c1nn[n-]n1 ZINC000822116700 607256838 /nfs/dbraw/zinc/25/68/38/607256838.db2.gz WLPWZDMOFOZTAB-UHFFFAOYSA-N -1 3 350.426 3.029 20 0 FGADHM CC[C@@H](C)c1ccc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000736330497 598994322 /nfs/dbraw/zinc/99/43/22/598994322.db2.gz YUBKGOLUYXRSFC-GFCCVEGCSA-N -1 3 372.450 3.456 20 0 FGADHM CC[C@@H](C)c1ccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000736330497 598994323 /nfs/dbraw/zinc/99/43/23/598994323.db2.gz YUBKGOLUYXRSFC-GFCCVEGCSA-N -1 3 372.450 3.456 20 0 FGADHM Cc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)cn2)cc1Oc1ccncc1 ZINC000737315768 599003121 /nfs/dbraw/zinc/00/31/21/599003121.db2.gz QHERUEUXFKQLNZ-UHFFFAOYSA-N -1 3 373.376 3.010 20 0 FGADHM Cc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)cn2)cc1Oc1ccncc1 ZINC000737315768 599003123 /nfs/dbraw/zinc/00/31/23/599003123.db2.gz QHERUEUXFKQLNZ-UHFFFAOYSA-N -1 3 373.376 3.010 20 0 FGADHM CCCCC[C@H](NC(=O)COc1cccc(-c2nnn[n-]2)c1)C(C)(C)C ZINC000736440500 599008819 /nfs/dbraw/zinc/00/88/19/599008819.db2.gz CHCRWWMZTXCMRH-INIZCTEOSA-N -1 3 359.474 3.357 20 0 FGADHM CCCCC[C@H](NC(=O)COc1cccc(-c2nn[n-]n2)c1)C(C)(C)C ZINC000736440500 599008821 /nfs/dbraw/zinc/00/88/21/599008821.db2.gz CHCRWWMZTXCMRH-INIZCTEOSA-N -1 3 359.474 3.357 20 0 FGADHM CN(C(=O)C[C@H]1CCc2ccccc21)c1ccc(-c2nnn[n-]2)cc1F ZINC000736733576 599015558 /nfs/dbraw/zinc/01/55/58/599015558.db2.gz VICTWLNVWOFZNE-CYBMUJFWSA-N -1 3 351.385 3.089 20 0 FGADHM CN(C(=O)C[C@H]1CCc2ccccc21)c1ccc(-c2nn[n-]n2)cc1F ZINC000736733576 599015560 /nfs/dbraw/zinc/01/55/60/599015560.db2.gz VICTWLNVWOFZNE-CYBMUJFWSA-N -1 3 351.385 3.089 20 0 FGADHM Cc1cccc([C@@H](C)NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)c1C ZINC000737387418 599018869 /nfs/dbraw/zinc/01/88/69/599018869.db2.gz HVLZAGFTPZIFBB-CQSZACIVSA-N -1 3 367.478 3.453 20 0 FGADHM Cc1cccc([C@@H](C)NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)c1C ZINC000737387418 599018871 /nfs/dbraw/zinc/01/88/71/599018871.db2.gz HVLZAGFTPZIFBB-CQSZACIVSA-N -1 3 367.478 3.453 20 0 FGADHM CCN(C(=O)C[C@@H](C)c1cccnc1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736503019 599025573 /nfs/dbraw/zinc/02/55/73/599025573.db2.gz RZZRTORWBMCYOH-HUUCEWRRSA-N -1 3 364.453 3.365 20 0 FGADHM CCN(C(=O)C[C@@H](C)c1cccnc1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736503019 599025575 /nfs/dbraw/zinc/02/55/75/599025575.db2.gz RZZRTORWBMCYOH-HUUCEWRRSA-N -1 3 364.453 3.365 20 0 FGADHM CC1(C)[C@H](Nc2cc(-c3nnn[n-]3)c3ccccc3n2)[C@@H]2CCCO[C@@H]21 ZINC000820585441 599043449 /nfs/dbraw/zinc/04/34/49/599043449.db2.gz NGCXLDQWMLFPHO-VUCTXSBTSA-N -1 3 350.426 3.030 20 0 FGADHM CC1(C)[C@H](Nc2cc(-c3nn[n-]n3)c3ccccc3n2)[C@@H]2CCCO[C@@H]21 ZINC000820585441 599043452 /nfs/dbraw/zinc/04/34/52/599043452.db2.gz NGCXLDQWMLFPHO-VUCTXSBTSA-N -1 3 350.426 3.030 20 0 FGADHM Brc1ccccc1C1(CNc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000735367929 599046241 /nfs/dbraw/zinc/04/62/41/599046241.db2.gz BEHGTFRTLDUYJV-UHFFFAOYSA-N -1 3 371.242 3.168 20 0 FGADHM Brc1ccccc1C1(CNc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000735367929 599046244 /nfs/dbraw/zinc/04/62/44/599046244.db2.gz BEHGTFRTLDUYJV-UHFFFAOYSA-N -1 3 371.242 3.168 20 0 FGADHM C[C@H]1CN(c2nc3c(cc2-c2nnn[n-]2)CCC3)CC[C@H]1c1ccccc1 ZINC000820776816 599050445 /nfs/dbraw/zinc/05/04/45/599050445.db2.gz NHKWZEHCXAQCBD-WMLDXEAASA-N -1 3 360.465 3.380 20 0 FGADHM C[C@H]1CN(c2nc3c(cc2-c2nn[n-]n2)CCC3)CC[C@H]1c1ccccc1 ZINC000820776816 599050448 /nfs/dbraw/zinc/05/04/48/599050448.db2.gz NHKWZEHCXAQCBD-WMLDXEAASA-N -1 3 360.465 3.380 20 0 FGADHM CCc1nc([C@@H](C)Nc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)cs1 ZINC000736698747 599056694 /nfs/dbraw/zinc/05/66/94/599056694.db2.gz JATIRIVZYYRTLD-SSDOTTSWSA-N -1 3 369.376 3.473 20 0 FGADHM CCc1nc([C@@H](C)Nc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)cs1 ZINC000736698747 599056696 /nfs/dbraw/zinc/05/66/96/599056696.db2.gz JATIRIVZYYRTLD-SSDOTTSWSA-N -1 3 369.376 3.473 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)NC[C@H](C)c1cccc(C)c1 ZINC000737062766 599058413 /nfs/dbraw/zinc/05/84/13/599058413.db2.gz MUKWHRFJUVXMFK-ZDUSSCGKSA-N -1 3 366.425 3.109 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)NC[C@H](C)c1cccc(C)c1 ZINC000737062766 599058416 /nfs/dbraw/zinc/05/84/16/599058416.db2.gz MUKWHRFJUVXMFK-ZDUSSCGKSA-N -1 3 366.425 3.109 20 0 FGADHM Cc1cccc2c(CC(=O)OCc3cc(-c4nnn[n-]4)ccc3F)c[nH]c21 ZINC000737409466 599058948 /nfs/dbraw/zinc/05/89/48/599058948.db2.gz OMOBEJBOQBUTGG-UHFFFAOYSA-N -1 3 365.368 3.081 20 0 FGADHM Cc1cccc2c(CC(=O)OCc3cc(-c4nn[n-]n4)ccc3F)c[nH]c21 ZINC000737409466 599058951 /nfs/dbraw/zinc/05/89/51/599058951.db2.gz OMOBEJBOQBUTGG-UHFFFAOYSA-N -1 3 365.368 3.081 20 0 FGADHM COC(=O)c1cc(F)ccc1CSc1ccc(-c2nnn[n-]2)cc1F ZINC000736951902 599063168 /nfs/dbraw/zinc/06/31/68/599063168.db2.gz VIISREICWSMWSY-UHFFFAOYSA-N -1 3 362.361 3.224 20 0 FGADHM COC(=O)c1cc(F)ccc1CSc1ccc(-c2nn[n-]n2)cc1F ZINC000736951902 599063172 /nfs/dbraw/zinc/06/31/72/599063172.db2.gz VIISREICWSMWSY-UHFFFAOYSA-N -1 3 362.361 3.224 20 0 FGADHM Cc1cccc2c(=O)[nH]c(CSc3ccc(-c4nnn[n-]4)cc3F)nc12 ZINC000737409152 599064069 /nfs/dbraw/zinc/06/40/69/599064069.db2.gz RBSARWGXABHJTP-UHFFFAOYSA-N -1 3 368.397 3.255 20 0 FGADHM Cc1cccc2c(=O)[nH]c(CSc3ccc(-c4nn[n-]n4)cc3F)nc12 ZINC000737409152 599064073 /nfs/dbraw/zinc/06/40/73/599064073.db2.gz RBSARWGXABHJTP-UHFFFAOYSA-N -1 3 368.397 3.255 20 0 FGADHM Fc1ccc(OC2CCN(c3ncc(-c4nnn[n-]4)cc3Cl)CC2)cc1 ZINC000737655591 599064190 /nfs/dbraw/zinc/06/41/90/599064190.db2.gz AKEPWTSECFQHKB-UHFFFAOYSA-N -1 3 374.807 3.102 20 0 FGADHM Fc1ccc(OC2CCN(c3ncc(-c4nn[n-]n4)cc3Cl)CC2)cc1 ZINC000737655591 599064193 /nfs/dbraw/zinc/06/41/93/599064193.db2.gz AKEPWTSECFQHKB-UHFFFAOYSA-N -1 3 374.807 3.102 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000736633477 599070984 /nfs/dbraw/zinc/07/09/84/599070984.db2.gz BRSSZHSGWGDQSL-GJZGRUSLSA-N -1 3 355.442 3.420 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000736633477 599070987 /nfs/dbraw/zinc/07/09/87/599070987.db2.gz BRSSZHSGWGDQSL-GJZGRUSLSA-N -1 3 355.442 3.420 20 0 FGADHM CCO[C@H](C)c1nc(CN(C)c2cccc(F)c2-c2nnn[n-]2)cs1 ZINC000821346296 599072269 /nfs/dbraw/zinc/07/22/69/599072269.db2.gz GGSNRGHXVJOEMV-SNVBAGLBSA-N -1 3 362.434 3.196 20 0 FGADHM CCO[C@H](C)c1nc(CN(C)c2cccc(F)c2-c2nn[n-]n2)cs1 ZINC000821346296 599072272 /nfs/dbraw/zinc/07/22/72/599072272.db2.gz GGSNRGHXVJOEMV-SNVBAGLBSA-N -1 3 362.434 3.196 20 0 FGADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@H](C)C1CCCCC1 ZINC000735733924 599078722 /nfs/dbraw/zinc/07/87/22/599078722.db2.gz DDBUXCOEQBYMBF-KDOFPFPSSA-N -1 3 371.485 3.355 20 0 FGADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@H](C)C1CCCCC1 ZINC000735733924 599078725 /nfs/dbraw/zinc/07/87/25/599078725.db2.gz DDBUXCOEQBYMBF-KDOFPFPSSA-N -1 3 371.485 3.355 20 0 FGADHM Cc1cccc([C@@H](C)NC(=O)NCc2ccc(-c3nnn[n-]3)cc2)c1C ZINC000737387428 599105450 /nfs/dbraw/zinc/10/54/50/599105450.db2.gz IBTWPSPINMWSOC-CQSZACIVSA-N -1 3 350.426 3.044 20 0 FGADHM Cc1cccc([C@@H](C)NC(=O)NCc2ccc(-c3nn[n-]n3)cc2)c1C ZINC000737387428 599105452 /nfs/dbraw/zinc/10/54/52/599105452.db2.gz IBTWPSPINMWSOC-CQSZACIVSA-N -1 3 350.426 3.044 20 0 FGADHM Cc1nc(-c2ccccc2)oc1C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737462924 599117642 /nfs/dbraw/zinc/11/76/42/599117642.db2.gz ASOJOURBROUYHT-LBPRGKRZSA-N -1 3 374.404 3.321 20 0 FGADHM Cc1nc(-c2ccccc2)oc1C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737462924 599117645 /nfs/dbraw/zinc/11/76/45/599117645.db2.gz ASOJOURBROUYHT-LBPRGKRZSA-N -1 3 374.404 3.321 20 0 FGADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@]1(C)CCc2ccccc2C1 ZINC000821612217 599140467 /nfs/dbraw/zinc/14/04/67/599140467.db2.gz NAIQCHTWBJJSID-NRFANRHFSA-N -1 3 361.449 3.020 20 0 FGADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@]1(C)CCc2ccccc2C1 ZINC000821612217 599140469 /nfs/dbraw/zinc/14/04/69/599140469.db2.gz NAIQCHTWBJJSID-NRFANRHFSA-N -1 3 361.449 3.020 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H](C)c1ccc(C)o1 ZINC000821099354 599141083 /nfs/dbraw/zinc/14/10/83/599141083.db2.gz FHXXIFSWDRJLPD-AWEZNQCLSA-N -1 3 353.426 3.310 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@H](C)c1ccc(C)o1 ZINC000821099354 599141085 /nfs/dbraw/zinc/14/10/85/599141085.db2.gz FHXXIFSWDRJLPD-AWEZNQCLSA-N -1 3 353.426 3.310 20 0 FGADHM C[C@@H](CNC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)C(C)(C)C ZINC000736018977 599144582 /nfs/dbraw/zinc/14/45/82/599144582.db2.gz YEEHCVOOFIJYHE-VIFPVBQESA-N -1 3 368.388 3.272 20 0 FGADHM C[C@@H](CNC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)C(C)(C)C ZINC000736018977 599144584 /nfs/dbraw/zinc/14/45/84/599144584.db2.gz YEEHCVOOFIJYHE-VIFPVBQESA-N -1 3 368.388 3.272 20 0 FGADHM O=C(OCC1CC1)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738220856 599153163 /nfs/dbraw/zinc/15/31/63/599153163.db2.gz VMANZCTWTXFXNK-UHFFFAOYSA-N -1 3 350.378 3.013 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C[C@@H](C)c1cccc(F)c1 ZINC000737057897 599160782 /nfs/dbraw/zinc/16/07/82/599160782.db2.gz JZRNSEAXJLYSLT-LLVKDONJSA-N -1 3 355.373 3.147 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C[C@@H](C)c1cccc(F)c1 ZINC000737057897 599160784 /nfs/dbraw/zinc/16/07/84/599160784.db2.gz JZRNSEAXJLYSLT-LLVKDONJSA-N -1 3 355.373 3.147 20 0 FGADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCC[C@@H](C(C)(C)C)CC1 ZINC000736184465 599162158 /nfs/dbraw/zinc/16/21/58/599162158.db2.gz ZRDWJJWHIFWHGK-HUUCEWRRSA-N -1 3 371.485 3.309 20 0 FGADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCC[C@@H](C(C)(C)C)CC1 ZINC000736184465 599162161 /nfs/dbraw/zinc/16/21/61/599162161.db2.gz ZRDWJJWHIFWHGK-HUUCEWRRSA-N -1 3 371.485 3.309 20 0 FGADHM COc1cccc(SCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)c1 ZINC000737141057 599163550 /nfs/dbraw/zinc/16/35/50/599163550.db2.gz KCBDCHOCIQFYAT-UHFFFAOYSA-N -1 3 366.406 3.218 20 0 FGADHM COc1cccc(SCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)c1 ZINC000737141057 599163553 /nfs/dbraw/zinc/16/35/53/599163553.db2.gz KCBDCHOCIQFYAT-UHFFFAOYSA-N -1 3 366.406 3.218 20 0 FGADHM Cc1ccc([C@H]2CCCN2C(=O)CCc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000737330774 599167351 /nfs/dbraw/zinc/16/73/51/599167351.db2.gz KNKYYWNRFISGMJ-MRXNPFEDSA-N -1 3 351.410 3.064 20 0 FGADHM Cc1ccc([C@H]2CCCN2C(=O)CCc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000737330774 599167354 /nfs/dbraw/zinc/16/73/54/599167354.db2.gz KNKYYWNRFISGMJ-MRXNPFEDSA-N -1 3 351.410 3.064 20 0 FGADHM Cn1c(CCSc2ccc(-c3nnn[n-]3)cc2F)nc2ccccc21 ZINC000737592448 599167511 /nfs/dbraw/zinc/16/75/11/599167511.db2.gz OSORGESJYRBCAE-UHFFFAOYSA-N -1 3 354.414 3.227 20 0 FGADHM Cn1c(CCSc2ccc(-c3nn[n-]n3)cc2F)nc2ccccc21 ZINC000737592448 599167513 /nfs/dbraw/zinc/16/75/13/599167513.db2.gz OSORGESJYRBCAE-UHFFFAOYSA-N -1 3 354.414 3.227 20 0 FGADHM C[C@@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(=O)NC1CCC(C)CC1 ZINC000736238866 599168672 /nfs/dbraw/zinc/16/86/72/599168672.db2.gz FEJQHHQHXNXDSQ-QWKFWESOSA-N -1 3 363.462 3.181 20 0 FGADHM C[C@@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(=O)NC1CCC(C)CC1 ZINC000736238866 599168673 /nfs/dbraw/zinc/16/86/73/599168673.db2.gz FEJQHHQHXNXDSQ-QWKFWESOSA-N -1 3 363.462 3.181 20 0 FGADHM CCOc1ccccc1NC(=O)CSc1ccc(-c2nnn[n-]2)cc1F ZINC000736655967 599169003 /nfs/dbraw/zinc/16/90/03/599169003.db2.gz YZOVWDVOVLCUEO-UHFFFAOYSA-N -1 3 373.413 3.135 20 0 FGADHM CCOc1ccccc1NC(=O)CSc1ccc(-c2nn[n-]n2)cc1F ZINC000736655967 599169005 /nfs/dbraw/zinc/16/90/05/599169005.db2.gz YZOVWDVOVLCUEO-UHFFFAOYSA-N -1 3 373.413 3.135 20 0 FGADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(N2CCC[C@@H]2c2ccco2)n1 ZINC000737632686 599170367 /nfs/dbraw/zinc/17/03/67/599170367.db2.gz MHGJHXIOIBMNGZ-SNVBAGLBSA-N -1 3 350.304 3.215 20 0 FGADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(N2CCC[C@@H]2c2ccco2)n1 ZINC000737632686 599170369 /nfs/dbraw/zinc/17/03/69/599170369.db2.gz MHGJHXIOIBMNGZ-SNVBAGLBSA-N -1 3 350.304 3.215 20 0 FGADHM Fc1cc(-c2nnn[n-]2)ccc1SCc1nccn1CC(F)(F)F ZINC000737644666 599170480 /nfs/dbraw/zinc/17/04/80/599170480.db2.gz JNYYPUXCOUVOFR-UHFFFAOYSA-N -1 3 358.324 3.057 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1SCc1nccn1CC(F)(F)F ZINC000737644666 599170481 /nfs/dbraw/zinc/17/04/81/599170481.db2.gz JNYYPUXCOUVOFR-UHFFFAOYSA-N -1 3 358.324 3.057 20 0 FGADHM C[C@@H](CCc1ccccc1F)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000820252754 599177861 /nfs/dbraw/zinc/17/78/61/599177861.db2.gz DDGYNTFSZGCZQU-LBPRGKRZSA-N -1 3 371.391 3.030 20 0 FGADHM C[C@@H](CCc1ccccc1F)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000820252754 599177862 /nfs/dbraw/zinc/17/78/62/599177862.db2.gz DDGYNTFSZGCZQU-LBPRGKRZSA-N -1 3 371.391 3.030 20 0 FGADHM Cc1ccncc1C(=O)N(Cc1ccco1)c1ccccc1-c1nnn[n-]1 ZINC000737444478 599185664 /nfs/dbraw/zinc/18/56/64/599185664.db2.gz LVROJKODPGCSMC-UHFFFAOYSA-N -1 3 360.377 3.010 20 0 FGADHM Cc1ccncc1C(=O)N(Cc1ccco1)c1ccccc1-c1nn[n-]n1 ZINC000737444478 599185665 /nfs/dbraw/zinc/18/56/65/599185665.db2.gz LVROJKODPGCSMC-UHFFFAOYSA-N -1 3 360.377 3.010 20 0 FGADHM CC[C@@H](Cc1ccccc1)N(C)C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000736349012 599209699 /nfs/dbraw/zinc/20/96/99/599209699.db2.gz CSNDFICNFIGDGQ-JKGDOXCYSA-N -1 3 361.449 3.360 20 0 FGADHM CC[C@@H](Cc1ccccc1)N(C)C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000736349012 599209701 /nfs/dbraw/zinc/20/97/01/599209701.db2.gz CSNDFICNFIGDGQ-JKGDOXCYSA-N -1 3 361.449 3.360 20 0 FGADHM CN1CCCN(C(=O)c2cccc(-c3nnn[n-]3)c2)c2cc(Cl)ccc21 ZINC000736860561 599210599 /nfs/dbraw/zinc/21/05/99/599210599.db2.gz STPFZPRGEXWHPC-UHFFFAOYSA-N -1 3 368.828 3.007 20 0 FGADHM CN1CCCN(C(=O)c2cccc(-c3nn[n-]n3)c2)c2cc(Cl)ccc21 ZINC000736860561 599210601 /nfs/dbraw/zinc/21/06/01/599210601.db2.gz STPFZPRGEXWHPC-UHFFFAOYSA-N -1 3 368.828 3.007 20 0 FGADHM Fc1ccc(-c2nnn[n-]2)cc1CNC(=S)Nc1cccc(Cl)c1 ZINC000822761439 599229418 /nfs/dbraw/zinc/22/94/18/599229418.db2.gz MPWQYCJMFNHWLA-UHFFFAOYSA-N -1 3 362.821 3.146 20 0 FGADHM Fc1ccc(-c2nn[n-]n2)cc1CNC(=S)Nc1cccc(Cl)c1 ZINC000822761439 599229420 /nfs/dbraw/zinc/22/94/20/599229420.db2.gz MPWQYCJMFNHWLA-UHFFFAOYSA-N -1 3 362.821 3.146 20 0 FGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N[C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC000737944270 599227631 /nfs/dbraw/zinc/22/76/31/599227631.db2.gz ZSDMMHDOKUODEZ-VHDGCEQUSA-N -1 3 357.483 3.044 20 0 FGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N[C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC000737944270 599227633 /nfs/dbraw/zinc/22/76/33/599227633.db2.gz ZSDMMHDOKUODEZ-VHDGCEQUSA-N -1 3 357.483 3.044 20 0 FGADHM CCCOc1cccc(CC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000821134292 607264468 /nfs/dbraw/zinc/26/44/68/607264468.db2.gz SDOXWJUYZWOGCZ-CQSZACIVSA-N -1 3 365.437 3.075 20 0 FGADHM CCCOc1cccc(CC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000821134292 607264469 /nfs/dbraw/zinc/26/44/69/607264469.db2.gz SDOXWJUYZWOGCZ-CQSZACIVSA-N -1 3 365.437 3.075 20 0 FGADHM CC[C@H]1CN(C(=O)C=Cc2ccccc2-c2nnn[n-]2)c2ccccc2O1 ZINC000736413734 599228238 /nfs/dbraw/zinc/22/82/38/599228238.db2.gz ZGAKOFGUJJLJAG-RUMSDORHSA-N -1 3 361.405 3.084 20 0 FGADHM CC[C@H]1CN(C(=O)C=Cc2ccccc2-c2nn[n-]n2)c2ccccc2O1 ZINC000736413734 599228240 /nfs/dbraw/zinc/22/82/40/599228240.db2.gz ZGAKOFGUJJLJAG-RUMSDORHSA-N -1 3 361.405 3.084 20 0 FGADHM C[C@H](NC(=O)Nc1nc2ccccc2s1)c1cccc(-c2nnn[n-]2)c1 ZINC000820380568 599237508 /nfs/dbraw/zinc/23/75/08/599237508.db2.gz WLGSRQGIGGZZTD-JTQLQIEISA-N -1 3 365.422 3.359 20 0 FGADHM C[C@H](NC(=O)Nc1nc2ccccc2s1)c1cccc(-c2nn[n-]n2)c1 ZINC000820380568 599237511 /nfs/dbraw/zinc/23/75/11/599237511.db2.gz WLGSRQGIGGZZTD-JTQLQIEISA-N -1 3 365.422 3.359 20 0 FGADHM COc1cc(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)ccc1OC(C)C ZINC000821703238 607270324 /nfs/dbraw/zinc/27/03/24/607270324.db2.gz VXYMQUFAPFDMMV-UHFFFAOYSA-N -1 3 367.409 3.223 20 0 FGADHM COc1cc(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)ccc1OC(C)C ZINC000821703238 607270325 /nfs/dbraw/zinc/27/03/25/607270325.db2.gz VXYMQUFAPFDMMV-UHFFFAOYSA-N -1 3 367.409 3.223 20 0 FGADHM Cc1c(NC(=O)COc2ccc3ccccc3c2)cccc1-c1nnn[n-]1 ZINC000822077818 607271857 /nfs/dbraw/zinc/27/18/57/607271857.db2.gz YQNRCFXXBSFBBJ-UHFFFAOYSA-N -1 3 359.389 3.346 20 0 FGADHM Cc1c(NC(=O)COc2ccc3ccccc3c2)cccc1-c1nn[n-]n1 ZINC000822077818 607271858 /nfs/dbraw/zinc/27/18/58/607271858.db2.gz YQNRCFXXBSFBBJ-UHFFFAOYSA-N -1 3 359.389 3.346 20 0 FGADHM Cc1c(NC(=O)Cc2cccc(Br)c2)cccc1-c1nnn[n-]1 ZINC000822076584 607269140 /nfs/dbraw/zinc/26/91/40/607269140.db2.gz NVNVLHFYZJIAGK-UHFFFAOYSA-N -1 3 372.226 3.119 20 0 FGADHM Cc1c(NC(=O)Cc2cccc(Br)c2)cccc1-c1nn[n-]n1 ZINC000822076584 607269141 /nfs/dbraw/zinc/26/91/41/607269141.db2.gz NVNVLHFYZJIAGK-UHFFFAOYSA-N -1 3 372.226 3.119 20 0 FGADHM C[C@H](CNC(=O)Nc1cccc(-c2nnn[n-]2)c1)Sc1ccccc1 ZINC000820270292 599244857 /nfs/dbraw/zinc/24/48/57/599244857.db2.gz ZJXMLEVBUWBNQW-GFCCVEGCSA-N -1 3 354.439 3.169 20 0 FGADHM C[C@H](CNC(=O)Nc1cccc(-c2nn[n-]n2)c1)Sc1ccccc1 ZINC000820270292 599244859 /nfs/dbraw/zinc/24/48/59/599244859.db2.gz ZJXMLEVBUWBNQW-GFCCVEGCSA-N -1 3 354.439 3.169 20 0 FGADHM CC(C)C1CCN(C(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000735750113 599246960 /nfs/dbraw/zinc/24/69/60/599246960.db2.gz PQJGCOSOTVGWIP-UHFFFAOYSA-N -1 3 371.485 3.310 20 0 FGADHM CC(C)C1CCN(C(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000735750113 599246963 /nfs/dbraw/zinc/24/69/63/599246963.db2.gz PQJGCOSOTVGWIP-UHFFFAOYSA-N -1 3 371.485 3.310 20 0 FGADHM S=C(Nc1ccccc1-c1nnn[n-]1)N[C@H]1CSc2ccccc21 ZINC000738409028 599247292 /nfs/dbraw/zinc/24/72/92/599247292.db2.gz OLHXRXQIOUDUAC-ZDUSSCGKSA-N -1 3 354.464 3.000 20 0 FGADHM S=C(Nc1ccccc1-c1nn[n-]n1)N[C@H]1CSc2ccccc21 ZINC000738409028 599247294 /nfs/dbraw/zinc/24/72/94/599247294.db2.gz OLHXRXQIOUDUAC-ZDUSSCGKSA-N -1 3 354.464 3.000 20 0 FGADHM C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)Nc2cccc(CC(=O)[O-])c2)C1 ZINC000737721720 597195908 /nfs/dbraw/zinc/19/59/08/597195908.db2.gz QIEAYKCYZQIDNF-DNVCBOLYSA-N -1 3 367.449 3.271 20 0 FGADHM O=C([O-])Cc1cccc(NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000312140026 597202550 /nfs/dbraw/zinc/20/25/50/597202550.db2.gz NYNDCWJBBKGRAB-LJQANCHMSA-N -1 3 367.449 3.100 20 0 FGADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)N1CC[C@@H]1c1ccc(Cl)cc1 ZINC000737960445 599252541 /nfs/dbraw/zinc/25/25/41/599252541.db2.gz HFNXPIVDRBUNLZ-MRXNPFEDSA-N -1 3 353.813 3.036 20 0 FGADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)N1CC[C@@H]1c1ccc(Cl)cc1 ZINC000737960445 599252545 /nfs/dbraw/zinc/25/25/45/599252545.db2.gz HFNXPIVDRBUNLZ-MRXNPFEDSA-N -1 3 353.813 3.036 20 0 FGADHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2NCc1ccccc1F ZINC000737262409 599255497 /nfs/dbraw/zinc/25/54/97/599255497.db2.gz GHSMYTUPNCMHAM-UHFFFAOYSA-N -1 3 352.348 3.036 20 0 FGADHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2NCc1ccccc1F ZINC000737262409 599255499 /nfs/dbraw/zinc/25/54/99/599255499.db2.gz GHSMYTUPNCMHAM-UHFFFAOYSA-N -1 3 352.348 3.036 20 0 FGADHM Cc1c(NC(=O)NCc2ccc(OC(C)C)cc2)cccc1-c1nnn[n-]1 ZINC000822105063 607283552 /nfs/dbraw/zinc/28/35/52/607283552.db2.gz UTADNFYJMARITC-UHFFFAOYSA-N -1 3 366.425 3.284 20 0 FGADHM Cc1c(NC(=O)NCc2ccc(OC(C)C)cc2)cccc1-c1nn[n-]n1 ZINC000822105063 607283553 /nfs/dbraw/zinc/28/35/53/607283553.db2.gz UTADNFYJMARITC-UHFFFAOYSA-N -1 3 366.425 3.284 20 0 FGADHM Cc1c(NC(=O)NC[C@H](C)Cc2cccs2)cccc1-c1nnn[n-]1 ZINC000822096321 607285840 /nfs/dbraw/zinc/28/58/40/607285840.db2.gz KZPQLAKZMIJICO-LLVKDONJSA-N -1 3 356.455 3.237 20 0 FGADHM Cc1c(NC(=O)NC[C@H](C)Cc2cccs2)cccc1-c1nn[n-]n1 ZINC000822096321 607285841 /nfs/dbraw/zinc/28/58/41/607285841.db2.gz KZPQLAKZMIJICO-LLVKDONJSA-N -1 3 356.455 3.237 20 0 FGADHM CCS[C@H]1CCCC[C@H]1NC(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821454478 607291260 /nfs/dbraw/zinc/29/12/60/607291260.db2.gz GEDCPOORBNZJMS-CABCVRRESA-N -1 3 360.487 3.361 20 0 FGADHM CCS[C@H]1CCCC[C@H]1NC(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821454478 607291261 /nfs/dbraw/zinc/29/12/61/607291261.db2.gz GEDCPOORBNZJMS-CABCVRRESA-N -1 3 360.487 3.361 20 0 FGADHM Cc1cc(NC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)n(C(C)(C)C)n1 ZINC000822208087 599258351 /nfs/dbraw/zinc/25/83/51/599258351.db2.gz AAOCSOYWANESNX-GFCCVEGCSA-N -1 3 368.445 3.009 20 0 FGADHM Cc1cc(NC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)n(C(C)(C)C)n1 ZINC000822208087 599258353 /nfs/dbraw/zinc/25/83/53/599258353.db2.gz AAOCSOYWANESNX-GFCCVEGCSA-N -1 3 368.445 3.009 20 0 FGADHM COc1ccc([C@H](C)NC(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1F ZINC000821777677 607292240 /nfs/dbraw/zinc/29/22/40/607292240.db2.gz KVPJPORMBCCSMJ-NSHDSACASA-N -1 3 370.388 3.206 20 0 FGADHM COc1ccc([C@H](C)NC(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1F ZINC000821777677 607292241 /nfs/dbraw/zinc/29/22/41/607292241.db2.gz KVPJPORMBCCSMJ-NSHDSACASA-N -1 3 370.388 3.206 20 0 FGADHM Cc1c(NC(=O)NC2(c3cccc(F)c3)CC2)cccc1-c1nnn[n-]1 ZINC000822090328 607293219 /nfs/dbraw/zinc/29/32/19/607293219.db2.gz KABXHJDLDVNIBR-UHFFFAOYSA-N -1 3 352.373 3.125 20 0 FGADHM Cc1c(NC(=O)NC2(c3cccc(F)c3)CC2)cccc1-c1nn[n-]n1 ZINC000822090328 607293220 /nfs/dbraw/zinc/29/32/20/607293220.db2.gz KABXHJDLDVNIBR-UHFFFAOYSA-N -1 3 352.373 3.125 20 0 FGADHM Cc1ccc(NC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)cn1 ZINC000822255132 607294269 /nfs/dbraw/zinc/29/42/69/607294269.db2.gz WRTCXFXKAVCQBN-UHFFFAOYSA-N -1 3 356.389 3.489 20 0 FGADHM Cc1ccc(NC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)cn1 ZINC000822255132 607294270 /nfs/dbraw/zinc/29/42/70/607294270.db2.gz WRTCXFXKAVCQBN-UHFFFAOYSA-N -1 3 356.389 3.489 20 0 FGADHM COc1cc(OC)c(NCc2cc(-c3nnn[n-]3)cs2)cc1Cl ZINC000821724866 607307846 /nfs/dbraw/zinc/30/78/46/607307846.db2.gz YXCKZUMROARTRN-UHFFFAOYSA-N -1 3 351.819 3.211 20 0 FGADHM COc1cc(OC)c(NCc2cc(-c3nn[n-]n3)cs2)cc1Cl ZINC000821724866 607307847 /nfs/dbraw/zinc/30/78/47/607307847.db2.gz YXCKZUMROARTRN-UHFFFAOYSA-N -1 3 351.819 3.211 20 0 FGADHM Cc1ccc(NCc2cc(-c3nnn[n-]3)cs2)c(OC[C@H]2CCCO2)c1 ZINC000822254375 607310013 /nfs/dbraw/zinc/31/00/13/607310013.db2.gz HXAGPBKROOWHQZ-CQSZACIVSA-N -1 3 371.466 3.407 20 0 FGADHM Cc1ccc(NCc2cc(-c3nn[n-]n3)cs2)c(OC[C@H]2CCCO2)c1 ZINC000822254375 607310014 /nfs/dbraw/zinc/31/00/14/607310014.db2.gz HXAGPBKROOWHQZ-CQSZACIVSA-N -1 3 371.466 3.407 20 0 FGADHM COc1ccc(OC(C)C)c(NCc2ccc(OC)c(-c3nnn[n-]3)c2)c1 ZINC000821837222 607316348 /nfs/dbraw/zinc/31/63/48/607316348.db2.gz BHQCPDJZFREXRA-UHFFFAOYSA-N -1 3 369.425 3.283 20 0 FGADHM COc1ccc(OC(C)C)c(NCc2ccc(OC)c(-c3nn[n-]n3)c2)c1 ZINC000821837222 607316349 /nfs/dbraw/zinc/31/63/49/607316349.db2.gz BHQCPDJZFREXRA-UHFFFAOYSA-N -1 3 369.425 3.283 20 0 FGADHM FC(F)(F)COc1ccccc1NCc1cc(-c2nnn[n-]2)cs1 ZINC000822718274 607310747 /nfs/dbraw/zinc/31/07/47/607310747.db2.gz GKVONMDUMMCRRR-UHFFFAOYSA-N -1 3 355.345 3.481 20 0 FGADHM FC(F)(F)COc1ccccc1NCc1cc(-c2nn[n-]n2)cs1 ZINC000822718274 607310748 /nfs/dbraw/zinc/31/07/48/607310748.db2.gz GKVONMDUMMCRRR-UHFFFAOYSA-N -1 3 355.345 3.481 20 0 FGADHM Cc1c(NCc2ccc(-c3nnn[n-]3)s2)cccc1C(=O)N1CCCC1 ZINC000822123278 607315078 /nfs/dbraw/zinc/31/50/78/607315078.db2.gz YKMNSEWUBMESEQ-UHFFFAOYSA-N -1 3 368.466 3.085 20 0 FGADHM Cc1cc(N2CCSCC2)ccc1NCc1cccc(-c2nnn[n-]2)c1 ZINC000822207530 607315172 /nfs/dbraw/zinc/31/51/72/607315172.db2.gz ZAHCSFAUYBJAHG-UHFFFAOYSA-N -1 3 366.494 3.340 20 0 FGADHM Cc1cc(N2CCSCC2)ccc1NCc1cccc(-c2nn[n-]n2)c1 ZINC000822207530 607315173 /nfs/dbraw/zinc/31/51/73/607315173.db2.gz ZAHCSFAUYBJAHG-UHFFFAOYSA-N -1 3 366.494 3.340 20 0 FGADHM COCCCCN(Cc1ccccc1)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000821687342 607305584 /nfs/dbraw/zinc/30/55/84/607305584.db2.gz ZVGUHUCPHZHXTJ-UHFFFAOYSA-N -1 3 372.860 3.348 20 0 FGADHM COCCCCN(Cc1ccccc1)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000821687342 607305585 /nfs/dbraw/zinc/30/55/85/607305585.db2.gz ZVGUHUCPHZHXTJ-UHFFFAOYSA-N -1 3 372.860 3.348 20 0 FGADHM COc1ccc(C)cc1CNc1c(-c2nnn[n-]2)cnc2c(C)cccc21 ZINC000737077585 599270440 /nfs/dbraw/zinc/27/04/40/599270440.db2.gz RCXSSHXEOIIRAP-UHFFFAOYSA-N -1 3 360.421 3.074 20 0 FGADHM COc1ccc(C)cc1CNc1c(-c2nn[n-]n2)cnc2c(C)cccc21 ZINC000737077585 599270441 /nfs/dbraw/zinc/27/04/41/599270441.db2.gz RCXSSHXEOIIRAP-UHFFFAOYSA-N -1 3 360.421 3.074 20 0 FGADHM Cc1ccc(O[C@@H](C)CNC(=O)Nc2cc(-c3nnn[n-]3)ccc2C)cc1 ZINC000822258768 599271266 /nfs/dbraw/zinc/27/12/66/599271266.db2.gz CAUIXKRRBCJCLH-AWEZNQCLSA-N -1 3 366.425 3.073 20 0 FGADHM Cc1ccc(O[C@@H](C)CNC(=O)Nc2cc(-c3nn[n-]n3)ccc2C)cc1 ZINC000822258768 599271267 /nfs/dbraw/zinc/27/12/67/599271267.db2.gz CAUIXKRRBCJCLH-AWEZNQCLSA-N -1 3 366.425 3.073 20 0 FGADHM COC(=O)[C@H](N[C@H](C)c1ccc(-c2nnn[n-]2)cc1)c1cccc(Cl)c1 ZINC000736893472 599273223 /nfs/dbraw/zinc/27/32/23/599273223.db2.gz DJBWZYSBYQQSQB-BDJLRTHQSA-N -1 3 371.828 3.085 20 0 FGADHM COC(=O)[C@H](N[C@H](C)c1ccc(-c2nn[n-]n2)cc1)c1cccc(Cl)c1 ZINC000736893472 599273224 /nfs/dbraw/zinc/27/32/24/599273224.db2.gz DJBWZYSBYQQSQB-BDJLRTHQSA-N -1 3 371.828 3.085 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)C=Cc1cccc(F)c1 ZINC000736488325 599275348 /nfs/dbraw/zinc/27/53/48/599275348.db2.gz ORAOQGNIOFRORQ-RMKNXTFCSA-N -1 3 366.400 3.480 20 0 FGADHM Cc1ccc(NCc2cnc3ccc(-c4nnn[n-]4)cn23)cc1-c1ncco1 ZINC000822258989 607318827 /nfs/dbraw/zinc/31/88/27/607318827.db2.gz IGDWWPSNLKDYKA-UHFFFAOYSA-N -1 3 372.392 3.090 20 0 FGADHM Cc1ccc(NCc2cnc3ccc(-c4nn[n-]n4)cn23)cc1-c1ncco1 ZINC000822258989 607318828 /nfs/dbraw/zinc/31/88/28/607318828.db2.gz IGDWWPSNLKDYKA-UHFFFAOYSA-N -1 3 372.392 3.090 20 0 FGADHM CC[C@H](C)C[C@@H](C)NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000820869841 599277061 /nfs/dbraw/zinc/27/70/61/599277061.db2.gz JAYOKXDEODCBOQ-VHSXEESVSA-N -1 3 368.388 3.414 20 0 FGADHM CC[C@H](C)C[C@@H](C)NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000820869841 599277062 /nfs/dbraw/zinc/27/70/62/599277062.db2.gz JAYOKXDEODCBOQ-VHSXEESVSA-N -1 3 368.388 3.414 20 0 FGADHM CC(C)CCN(C)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820073824 599285961 /nfs/dbraw/zinc/28/59/61/599285961.db2.gz WDJNILRQFALLHA-UHFFFAOYSA-N -1 3 356.352 3.395 20 0 FGADHM CC(C)CCN(C)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820073824 599285964 /nfs/dbraw/zinc/28/59/64/599285964.db2.gz WDJNILRQFALLHA-UHFFFAOYSA-N -1 3 356.352 3.395 20 0 FGADHM C[C@H](Sc1n[nH]c(Cc2cccs2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736189822 599289648 /nfs/dbraw/zinc/28/96/48/599289648.db2.gz CFQMWIXFNBUCJB-JTQLQIEISA-N -1 3 369.479 3.490 20 0 FGADHM CCCCOCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCCC2 ZINC000736460483 599290968 /nfs/dbraw/zinc/29/09/68/599290968.db2.gz LQKYVFHHKCTRDC-UHFFFAOYSA-N -1 3 363.487 3.342 20 0 FGADHM CCCCOCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCCC2 ZINC000736460483 599290971 /nfs/dbraw/zinc/29/09/71/599290971.db2.gz LQKYVFHHKCTRDC-UHFFFAOYSA-N -1 3 363.487 3.342 20 0 FGADHM CC(C)N(C(=O)c1ccc(-c2nnn[n-]2)cn1)c1ccc(F)cc1Cl ZINC000735857302 599291167 /nfs/dbraw/zinc/29/11/67/599291167.db2.gz SOXKOLOXDPFWOV-UHFFFAOYSA-N -1 3 360.780 3.109 20 0 FGADHM CC(C)N(C(=O)c1ccc(-c2nn[n-]n2)cn1)c1ccc(F)cc1Cl ZINC000735857302 599291169 /nfs/dbraw/zinc/29/11/69/599291169.db2.gz SOXKOLOXDPFWOV-UHFFFAOYSA-N -1 3 360.780 3.109 20 0 FGADHM CCCN(CC(=O)Nc1ccccc1C)c1cccc(F)c1-c1nnn[n-]1 ZINC000821087769 607328337 /nfs/dbraw/zinc/32/83/37/607328337.db2.gz FXMFXAVZHOTUGM-UHFFFAOYSA-N -1 3 368.416 3.169 20 0 FGADHM CCCN(CC(=O)Nc1ccccc1C)c1cccc(F)c1-c1nn[n-]n1 ZINC000821087769 607328338 /nfs/dbraw/zinc/32/83/38/607328338.db2.gz FXMFXAVZHOTUGM-UHFFFAOYSA-N -1 3 368.416 3.169 20 0 FGADHM COc1cccc(-c2nc(CN[C@@H](C(=O)[O-])C(C)C)cs2)c1OC ZINC000820858505 598188593 /nfs/dbraw/zinc/18/85/93/598188593.db2.gz CGMVOWWIHYBDGF-CQSZACIVSA-N -1 3 350.440 3.026 20 0 FGADHM Cc1ccncc1NC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000737446788 598234357 /nfs/dbraw/zinc/23/43/57/598234357.db2.gz ZJCWEZBCMAIIGZ-UHFFFAOYSA-N -1 3 356.389 3.489 20 0 FGADHM Cc1ccncc1NC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000737446788 598234358 /nfs/dbraw/zinc/23/43/58/598234358.db2.gz ZJCWEZBCMAIIGZ-UHFFFAOYSA-N -1 3 356.389 3.489 20 0 FGADHM CCC(CC)CNC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000736341534 598239115 /nfs/dbraw/zinc/23/91/15/598239115.db2.gz CLNUKFGFWDIFPM-UHFFFAOYSA-N -1 3 369.425 3.205 20 0 FGADHM CCC(CC)CNC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000736341534 598239117 /nfs/dbraw/zinc/23/91/17/598239117.db2.gz CLNUKFGFWDIFPM-UHFFFAOYSA-N -1 3 369.425 3.205 20 0 FGADHM CN(Cc1cc(Br)cs1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736813497 598239522 /nfs/dbraw/zinc/23/95/22/598239522.db2.gz CIHJKNZZQDOQAD-UHFFFAOYSA-N -1 3 368.235 3.466 20 0 FGADHM CC(=O)Nc1cccc(CN(CC(C)C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735489330 598249066 /nfs/dbraw/zinc/24/90/66/598249066.db2.gz WHRJKDANVIYNAN-UHFFFAOYSA-N -1 3 364.453 3.488 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CC[C@@H](c2cccc(F)c2)C1 ZINC000737292614 598265808 /nfs/dbraw/zinc/26/58/08/598265808.db2.gz WGZQYCYSLOIAIC-OAHLLOKOSA-N -1 3 366.400 3.336 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CC[C@@H](c2cccc(F)c2)C1 ZINC000737292614 598265810 /nfs/dbraw/zinc/26/58/10/598265810.db2.gz WGZQYCYSLOIAIC-OAHLLOKOSA-N -1 3 366.400 3.336 20 0 FGADHM CC(=O)Nc1cccc(CSCc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000735489308 598273389 /nfs/dbraw/zinc/27/33/89/598273389.db2.gz ZSJWEOMRXFGSOL-UHFFFAOYSA-N -1 3 357.414 3.398 20 0 FGADHM CC(=O)Nc1cccc(CSCc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000735489308 598273390 /nfs/dbraw/zinc/27/33/90/598273390.db2.gz ZSJWEOMRXFGSOL-UHFFFAOYSA-N -1 3 357.414 3.398 20 0 FGADHM CN(Cc1cccc(F)c1)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736828718 598275433 /nfs/dbraw/zinc/27/54/33/598275433.db2.gz RAYIXVOIHMFYEK-UHFFFAOYSA-N -1 3 371.420 3.226 20 0 FGADHM CN(Cc1cccc(F)c1)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736828718 598275435 /nfs/dbraw/zinc/27/54/35/598275435.db2.gz RAYIXVOIHMFYEK-UHFFFAOYSA-N -1 3 371.420 3.226 20 0 FGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N[C@H]1CCCc2occc21 ZINC000735661048 598278561 /nfs/dbraw/zinc/27/85/61/598278561.db2.gz QKEBKAUCVHGUAV-ZDUSSCGKSA-N -1 3 369.429 3.215 20 0 FGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N[C@H]1CCCc2occc21 ZINC000735661048 598278562 /nfs/dbraw/zinc/27/85/62/598278562.db2.gz QKEBKAUCVHGUAV-ZDUSSCGKSA-N -1 3 369.429 3.215 20 0 FGADHM C[C@@H]1CCc2c(C(=O)N(C)c3ccc(-c4nnn[n-]4)cc3F)csc2C1 ZINC000736277708 598281292 /nfs/dbraw/zinc/28/12/92/598281292.db2.gz BVFDOUVAOGGVMN-SNVBAGLBSA-N -1 3 371.441 3.469 20 0 FGADHM C[C@@H]1CCc2c(C(=O)N(C)c3ccc(-c4nn[n-]n4)cc3F)csc2C1 ZINC000736277708 598281294 /nfs/dbraw/zinc/28/12/94/598281294.db2.gz BVFDOUVAOGGVMN-SNVBAGLBSA-N -1 3 371.441 3.469 20 0 FGADHM Cc1ccccc1N(C(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC000737428890 598298114 /nfs/dbraw/zinc/29/81/14/598298114.db2.gz XBBBECQSSGYHBA-OAHLLOKOSA-N -1 3 365.437 3.384 20 0 FGADHM Cc1ccccc1N(C(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1)C(C)C ZINC000737428890 598298117 /nfs/dbraw/zinc/29/81/17/598298117.db2.gz XBBBECQSSGYHBA-OAHLLOKOSA-N -1 3 365.437 3.384 20 0 FGADHM CC(C)(C(=O)NCc1ccc(-c2nnn[n-]2)cc1F)c1ccc(Cl)cc1 ZINC000735581529 598299404 /nfs/dbraw/zinc/29/94/04/598299404.db2.gz WJBHWZJFQOHCJN-UHFFFAOYSA-N -1 3 373.819 3.253 20 0 FGADHM CC(C)(C(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1ccc(Cl)cc1 ZINC000735581529 598299406 /nfs/dbraw/zinc/29/94/06/598299406.db2.gz WJBHWZJFQOHCJN-UHFFFAOYSA-N -1 3 373.819 3.253 20 0 FGADHM C[C@H]1CCc2sc(C(=O)NCc3ccc(-c4nnn[n-]4)cc3F)cc2C1 ZINC000736280217 598304712 /nfs/dbraw/zinc/30/47/12/598304712.db2.gz ORBPMHCZMGXMMV-JTQLQIEISA-N -1 3 371.441 3.122 20 0 FGADHM C[C@H]1CCc2sc(C(=O)NCc3ccc(-c4nn[n-]n4)cc3F)cc2C1 ZINC000736280217 598304714 /nfs/dbraw/zinc/30/47/14/598304714.db2.gz ORBPMHCZMGXMMV-JTQLQIEISA-N -1 3 371.441 3.122 20 0 FGADHM CN(C(=O)c1ccc(C(F)(F)F)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000736741651 598311666 /nfs/dbraw/zinc/31/16/66/598311666.db2.gz HJORVFVELYJTAJ-UHFFFAOYSA-N -1 3 365.290 3.301 20 0 FGADHM CN(C(=O)c1ccc(C(F)(F)F)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736741651 598311667 /nfs/dbraw/zinc/31/16/67/598311667.db2.gz HJORVFVELYJTAJ-UHFFFAOYSA-N -1 3 365.290 3.301 20 0 FGADHM CC(=O)NCCCSCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000735472878 598312830 /nfs/dbraw/zinc/31/28/30/598312830.db2.gz BYHAIJHNAYVWMX-UHFFFAOYSA-N -1 3 367.478 3.293 20 0 FGADHM CC(=O)NCCCSCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000735472878 598312831 /nfs/dbraw/zinc/31/28/31/598312831.db2.gz BYHAIJHNAYVWMX-UHFFFAOYSA-N -1 3 367.478 3.293 20 0 FGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)Nc1ccc(F)c(Cl)c1 ZINC000738098758 598322815 /nfs/dbraw/zinc/32/28/15/598322815.db2.gz BRUJXKRIECFVES-UHFFFAOYSA-N -1 3 364.743 3.120 20 0 FGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)Nc1ccc(F)c(Cl)c1 ZINC000738098758 598322816 /nfs/dbraw/zinc/32/28/16/598322816.db2.gz BRUJXKRIECFVES-UHFFFAOYSA-N -1 3 364.743 3.120 20 0 FGADHM Cc1cc2cc(NC(=O)NCc3ccc(-c4nnn[n-]4)cc3F)ccc2[nH]1 ZINC000737285315 598324078 /nfs/dbraw/zinc/32/40/78/598324078.db2.gz QKFMVFWVLQNUHX-UHFFFAOYSA-N -1 3 365.372 3.117 20 0 FGADHM Cc1cc2cc(NC(=O)NCc3ccc(-c4nn[n-]n4)cc3F)ccc2[nH]1 ZINC000737285315 598324080 /nfs/dbraw/zinc/32/40/80/598324080.db2.gz QKFMVFWVLQNUHX-UHFFFAOYSA-N -1 3 365.372 3.117 20 0 FGADHM Cc1ccccc1[C@@H](C)N(C)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737420689 598327307 /nfs/dbraw/zinc/32/73/07/598327307.db2.gz JAXVVJHIYNDGSL-CYBMUJFWSA-N -1 3 368.416 3.217 20 0 FGADHM Cc1ccccc1[C@@H](C)N(C)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737420689 598327309 /nfs/dbraw/zinc/32/73/09/598327309.db2.gz JAXVVJHIYNDGSL-CYBMUJFWSA-N -1 3 368.416 3.217 20 0 FGADHM Fc1cc(-c2nnn[n-]2)cc(F)c1NCc1cccc(OCC(F)F)c1 ZINC000737638260 598353787 /nfs/dbraw/zinc/35/37/87/598353787.db2.gz FGKFIXVCQJAOSQ-UHFFFAOYSA-N -1 3 367.306 3.401 20 0 FGADHM Fc1cc(-c2nn[n-]n2)cc(F)c1NCc1cccc(OCC(F)F)c1 ZINC000737638260 598353789 /nfs/dbraw/zinc/35/37/89/598353789.db2.gz FGKFIXVCQJAOSQ-UHFFFAOYSA-N -1 3 367.306 3.401 20 0 FGADHM O=C(OCCCOc1ccc(-c2nn[n-]n2)cc1)c1ccc(C(F)F)cc1 ZINC000738221693 598360070 /nfs/dbraw/zinc/36/00/70/598360070.db2.gz MPZICEFRMWHIGZ-UHFFFAOYSA-N -1 3 374.347 3.430 20 0 FGADHM C[C@H](CC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1)c1ccccc1F ZINC000735975553 598364482 /nfs/dbraw/zinc/36/44/82/598364482.db2.gz PSXFJRBNKQYMAP-CYBMUJFWSA-N -1 3 353.401 3.158 20 0 FGADHM C[C@H](CC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1)c1ccccc1F ZINC000735975553 598364484 /nfs/dbraw/zinc/36/44/84/598364484.db2.gz PSXFJRBNKQYMAP-CYBMUJFWSA-N -1 3 353.401 3.158 20 0 FGADHM Cc1oc(-c2ccsc2)nc1CC(=O)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000737545930 598380447 /nfs/dbraw/zinc/38/04/47/598380447.db2.gz AADVLBZOHZVZFR-UHFFFAOYSA-N -1 3 367.390 3.040 20 0 FGADHM CCCCOc1ncccc1CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC000736463062 598391795 /nfs/dbraw/zinc/39/17/95/598391795.db2.gz MEOQSZBBTRWDCH-UHFFFAOYSA-N -1 3 359.821 3.101 20 0 FGADHM CCCCOc1ncccc1CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC000736463062 598391797 /nfs/dbraw/zinc/39/17/97/598391797.db2.gz MEOQSZBBTRWDCH-UHFFFAOYSA-N -1 3 359.821 3.101 20 0 FGADHM CC(=O)c1csc(C(=O)N(CC(C)C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735504440 598394726 /nfs/dbraw/zinc/39/47/26/598394726.db2.gz NOFJIZNCWOIRRY-UHFFFAOYSA-N -1 3 369.450 3.434 20 0 FGADHM CC(=O)c1csc(C(=O)N(CC(C)C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735504440 598394729 /nfs/dbraw/zinc/39/47/29/598394729.db2.gz NOFJIZNCWOIRRY-UHFFFAOYSA-N -1 3 369.450 3.434 20 0 FGADHM CCN(C(=O)c1cc(C(C)=O)cs1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736506037 598395669 /nfs/dbraw/zinc/39/56/69/598395669.db2.gz OYBGBRNZTWYUOY-NSHDSACASA-N -1 3 369.450 3.354 20 0 FGADHM CCN(C(=O)c1cc(C(C)=O)cs1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736506037 598395670 /nfs/dbraw/zinc/39/56/70/598395670.db2.gz OYBGBRNZTWYUOY-NSHDSACASA-N -1 3 369.450 3.354 20 0 FGADHM CO[C@](C)(C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000736955932 598396174 /nfs/dbraw/zinc/39/61/74/598396174.db2.gz CKLPUDXUEUFEQC-KRWDZBQOSA-N -1 3 357.801 3.020 20 0 FGADHM CO[C@](C)(C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000736955932 598396175 /nfs/dbraw/zinc/39/61/75/598396175.db2.gz CKLPUDXUEUFEQC-KRWDZBQOSA-N -1 3 357.801 3.020 20 0 FGADHM COc1ccccc1CC(C)=CC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737153114 598396976 /nfs/dbraw/zinc/39/69/76/598396976.db2.gz QDCOINNXLZTVGU-BENRWUELSA-N -1 3 367.384 3.142 20 0 FGADHM COc1ccccc1C/C(C)=C\C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737153114 598396978 /nfs/dbraw/zinc/39/69/78/598396978.db2.gz QDCOINNXLZTVGU-BENRWUELSA-N -1 3 367.384 3.142 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H]1CCc2ccc(F)cc21 ZINC000737294445 598413794 /nfs/dbraw/zinc/41/37/94/598413794.db2.gz OOEPERQEVFYZNB-OAHLLOKOSA-N -1 3 352.373 3.123 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@H]1CCc2ccc(F)cc21 ZINC000737294445 598413795 /nfs/dbraw/zinc/41/37/95/598413795.db2.gz OOEPERQEVFYZNB-OAHLLOKOSA-N -1 3 352.373 3.123 20 0 FGADHM Cc1sc(NC(=O)C(=O)c2ccc(Cl)cc2)c(-c2nnn[n-]2)c1C ZINC000737562205 598416386 /nfs/dbraw/zinc/41/63/86/598416386.db2.gz LKHANTBYUKOTDN-UHFFFAOYSA-N -1 3 361.814 3.020 20 0 FGADHM Cc1sc(NC(=O)C(=O)c2ccc(Cl)cc2)c(-c2nn[n-]n2)c1C ZINC000737562205 598416387 /nfs/dbraw/zinc/41/63/87/598416387.db2.gz LKHANTBYUKOTDN-UHFFFAOYSA-N -1 3 361.814 3.020 20 0 FGADHM O=C(Oc1ccc(Oc2ccccc2)cc1)c1ccc(-c2nnn[n-]2)cn1 ZINC000738246972 598436569 /nfs/dbraw/zinc/43/65/69/598436569.db2.gz LBWNHPKFTPGTGA-UHFFFAOYSA-N -1 3 359.345 3.273 20 0 FGADHM O=C(Oc1ccc(Oc2ccccc2)cc1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738246972 598436570 /nfs/dbraw/zinc/43/65/70/598436570.db2.gz LBWNHPKFTPGTGA-UHFFFAOYSA-N -1 3 359.345 3.273 20 0 FGADHM CCCCN(C(=O)c1ccc(-c2nnn[n-]2)cn1)[C@@H](C)c1ccccc1 ZINC000736451578 598442421 /nfs/dbraw/zinc/44/24/21/598442421.db2.gz MLEJSPZUGNPPQV-AWEZNQCLSA-N -1 3 350.426 3.265 20 0 FGADHM CCCCN(C(=O)c1ccc(-c2nn[n-]n2)cn1)[C@@H](C)c1ccccc1 ZINC000736451578 598442423 /nfs/dbraw/zinc/44/24/23/598442423.db2.gz MLEJSPZUGNPPQV-AWEZNQCLSA-N -1 3 350.426 3.265 20 0 FGADHM Cc1ccc(-c2nsc(NC(=O)c3cccc(-c4nnn[n-]4)c3)n2)s1 ZINC000737304079 598445673 /nfs/dbraw/zinc/44/56/73/598445673.db2.gz UEKALPFRCZIXFK-UHFFFAOYSA-N -1 3 369.435 3.007 20 0 FGADHM Cc1ccc(-c2nsc(NC(=O)c3cccc(-c4nn[n-]n4)c3)n2)s1 ZINC000737304079 598445674 /nfs/dbraw/zinc/44/56/74/598445674.db2.gz UEKALPFRCZIXFK-UHFFFAOYSA-N -1 3 369.435 3.007 20 0 FGADHM O=C(NC1(c2cccc(C(F)(F)F)c2)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000738013272 598447570 /nfs/dbraw/zinc/44/75/70/598447570.db2.gz YZFOISFNMGGEKW-UHFFFAOYSA-N -1 3 373.338 3.305 20 0 FGADHM O=C(NC1(c2cccc(C(F)(F)F)c2)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000738013272 598447571 /nfs/dbraw/zinc/44/75/71/598447571.db2.gz YZFOISFNMGGEKW-UHFFFAOYSA-N -1 3 373.338 3.305 20 0 FGADHM CCN(C(=O)c1ccc(-c2nnn[n-]2)cn1)[C@H](C)c1cc2ccccc2o1 ZINC000736505496 598448298 /nfs/dbraw/zinc/44/82/98/598448298.db2.gz KIKUYAHAIBYKBY-GFCCVEGCSA-N -1 3 362.393 3.231 20 0 FGADHM CCN(C(=O)c1ccc(-c2nn[n-]n2)cn1)[C@H](C)c1cc2ccccc2o1 ZINC000736505496 598448300 /nfs/dbraw/zinc/44/83/00/598448300.db2.gz KIKUYAHAIBYKBY-GFCCVEGCSA-N -1 3 362.393 3.231 20 0 FGADHM Clc1cccc(-c2noc(COc3ccc(-c4nn[n-]n4)cc3)n2)c1 ZINC000737574618 598455283 /nfs/dbraw/zinc/45/52/83/598455283.db2.gz MYGPBXJNMWKORH-UHFFFAOYSA-N -1 3 354.757 3.149 20 0 FGADHM FC(F)(F)COc1ccccc1OCc1ccccc1-c1nnn[n-]1 ZINC000737625478 598459458 /nfs/dbraw/zinc/45/94/58/598459458.db2.gz ANYBNFDBUXXZRP-UHFFFAOYSA-N -1 3 350.300 3.387 20 0 FGADHM FC(F)(F)COc1ccccc1OCc1ccccc1-c1nn[n-]n1 ZINC000737625478 598459460 /nfs/dbraw/zinc/45/94/60/598459460.db2.gz ANYBNFDBUXXZRP-UHFFFAOYSA-N -1 3 350.300 3.387 20 0 FGADHM COC(=O)[C@H](c1cccc(-c2nnn[n-]2)c1)N(C)c1ccc2ccccc2c1 ZINC000821649928 607357599 /nfs/dbraw/zinc/35/75/99/607357599.db2.gz GSIKLHUFXAZVED-IBGZPJMESA-N -1 3 373.416 3.370 20 0 FGADHM COC(=O)[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)c1ccc2ccccc2c1 ZINC000821649928 607357601 /nfs/dbraw/zinc/35/76/01/607357601.db2.gz GSIKLHUFXAZVED-IBGZPJMESA-N -1 3 373.416 3.370 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N(C)C[C@H](C)c1ccccc1 ZINC000737290702 598476913 /nfs/dbraw/zinc/47/69/13/598476913.db2.gz FSTRYXVUNGRPKT-AWEZNQCLSA-N -1 3 350.426 3.443 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N(C)C[C@H](C)c1ccccc1 ZINC000737290702 598476915 /nfs/dbraw/zinc/47/69/15/598476915.db2.gz FSTRYXVUNGRPKT-AWEZNQCLSA-N -1 3 350.426 3.443 20 0 FGADHM C[C@H](OC(=O)Cc1cn(C)c2ccccc12)c1cccc(-c2nnn[n-]2)c1 ZINC000736155779 598483107 /nfs/dbraw/zinc/48/31/07/598483107.db2.gz QVJDJTSVKJMHCL-ZDUSSCGKSA-N -1 3 361.405 3.205 20 0 FGADHM C[C@H](OC(=O)Cc1cn(C)c2ccccc12)c1cccc(-c2nn[n-]n2)c1 ZINC000736155779 598483108 /nfs/dbraw/zinc/48/31/08/598483108.db2.gz QVJDJTSVKJMHCL-ZDUSSCGKSA-N -1 3 361.405 3.205 20 0 FGADHM Cc1nn(C)c2sc(C(=O)O[C@@H](C)c3cccc(-c4nnn[n-]4)c3)cc12 ZINC000737511157 598491298 /nfs/dbraw/zinc/49/12/98/598491298.db2.gz LCZRINBNQYMVMI-JTQLQIEISA-N -1 3 368.422 3.041 20 0 FGADHM Cc1nn(C)c2sc(C(=O)O[C@@H](C)c3cccc(-c4nn[n-]n4)c3)cc12 ZINC000737511157 598491299 /nfs/dbraw/zinc/49/12/99/598491299.db2.gz LCZRINBNQYMVMI-JTQLQIEISA-N -1 3 368.422 3.041 20 0 FGADHM CCOc1cccc(C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)c1 ZINC000736650219 598491383 /nfs/dbraw/zinc/49/13/83/598491383.db2.gz CFLINIIWGFXVKG-UHFFFAOYSA-N -1 3 354.414 3.074 20 0 FGADHM CCOc1cccc(C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)c1 ZINC000736650219 598491385 /nfs/dbraw/zinc/49/13/85/598491385.db2.gz CFLINIIWGFXVKG-UHFFFAOYSA-N -1 3 354.414 3.074 20 0 FGADHM Cc1ncccc1C(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@H](C)C2 ZINC000737503373 598493708 /nfs/dbraw/zinc/49/37/08/598493708.db2.gz VBPZIPQMRARYFO-VIFPVBQESA-N -1 3 354.439 3.009 20 0 FGADHM Cc1ncccc1C(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@H](C)C2 ZINC000737503373 598493709 /nfs/dbraw/zinc/49/37/09/598493709.db2.gz VBPZIPQMRARYFO-VIFPVBQESA-N -1 3 354.439 3.009 20 0 FGADHM CN(C(=O)Cc1c[nH]c2cc(Cl)ccc12)c1cccc(-c2nnn[n-]2)c1 ZINC000736738658 598498306 /nfs/dbraw/zinc/49/83/06/598498306.db2.gz FZWAFQCSUPPIAF-UHFFFAOYSA-N -1 3 366.812 3.207 20 0 FGADHM CN(C(=O)Cc1c[nH]c2cc(Cl)ccc12)c1cccc(-c2nn[n-]n2)c1 ZINC000736738658 598498307 /nfs/dbraw/zinc/49/83/07/598498307.db2.gz FZWAFQCSUPPIAF-UHFFFAOYSA-N -1 3 366.812 3.207 20 0 FGADHM CCSc1ccc(C(=O)Nc2sc(C)c(C)c2-c2nnn[n-]2)cn1 ZINC000736668098 598513816 /nfs/dbraw/zinc/51/38/16/598513816.db2.gz XJVWKLSRRPBCAY-UHFFFAOYSA-N -1 3 360.468 3.304 20 0 FGADHM CCSc1ccc(C(=O)Nc2sc(C)c(C)c2-c2nn[n-]n2)cn1 ZINC000736668098 598513817 /nfs/dbraw/zinc/51/38/17/598513817.db2.gz XJVWKLSRRPBCAY-UHFFFAOYSA-N -1 3 360.468 3.304 20 0 FGADHM CCC[C@H](Cc1ccccc1)NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000736426058 598518117 /nfs/dbraw/zinc/51/81/17/598518117.db2.gz NWRYXLGUALUVBH-SWNWVQGVSA-N -1 3 361.449 3.408 20 0 FGADHM CCC[C@H](Cc1ccccc1)NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000736426058 598518119 /nfs/dbraw/zinc/51/81/19/598518119.db2.gz NWRYXLGUALUVBH-SWNWVQGVSA-N -1 3 361.449 3.408 20 0 FGADHM CCCC[C@@H]1CCC[C@H]1NC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000736440294 598519561 /nfs/dbraw/zinc/51/95/61/598519561.db2.gz BZFRONDMTOCOFM-IIAWOOMASA-N -1 3 357.458 3.109 20 0 FGADHM CCCC[C@@H]1CCC[C@H]1NC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000736440294 598519562 /nfs/dbraw/zinc/51/95/62/598519562.db2.gz BZFRONDMTOCOFM-IIAWOOMASA-N -1 3 357.458 3.109 20 0 FGADHM CCCC[C@@H]1CCC[C@@H]1NC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000736440296 598519859 /nfs/dbraw/zinc/51/98/59/598519859.db2.gz BZFRONDMTOCOFM-LZWOXQAQSA-N -1 3 357.458 3.109 20 0 FGADHM CCCC[C@@H]1CCC[C@@H]1NC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000736440296 598519860 /nfs/dbraw/zinc/51/98/60/598519860.db2.gz BZFRONDMTOCOFM-LZWOXQAQSA-N -1 3 357.458 3.109 20 0 FGADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)c1cccc(OC2CCCC2)c1 ZINC000738117384 598534044 /nfs/dbraw/zinc/53/40/44/598534044.db2.gz QAIJYIPCCVDEEC-UHFFFAOYSA-N -1 3 363.421 3.118 20 0 FGADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)c1cccc(OC2CCCC2)c1 ZINC000738117384 598534046 /nfs/dbraw/zinc/53/40/46/598534046.db2.gz QAIJYIPCCVDEEC-UHFFFAOYSA-N -1 3 363.421 3.118 20 0 FGADHM C[C@@H]1C[C@H]1NC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736237444 598534731 /nfs/dbraw/zinc/53/47/31/598534731.db2.gz OZLBARLIBMTWKZ-BDJLRTHQSA-N -1 3 350.382 3.189 20 0 FGADHM C[C@@H]1C[C@H]1NC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736237444 598534732 /nfs/dbraw/zinc/53/47/32/598534732.db2.gz OZLBARLIBMTWKZ-BDJLRTHQSA-N -1 3 350.382 3.189 20 0 FGADHM Cc1ccc(C[C@@H](C)NC(=O)C=Cc2ccccc2-c2nnn[n-]2)c(C)c1 ZINC000737333970 598534746 /nfs/dbraw/zinc/53/47/46/598534746.db2.gz DMTSEKXKUPAJOL-BLIJAFNYSA-N -1 3 361.449 3.244 20 0 FGADHM Cc1ccc(C[C@@H](C)NC(=O)C=Cc2ccccc2-c2nn[n-]n2)c(C)c1 ZINC000737333970 598534747 /nfs/dbraw/zinc/53/47/47/598534747.db2.gz DMTSEKXKUPAJOL-BLIJAFNYSA-N -1 3 361.449 3.244 20 0 FGADHM Cc1ccc(C[C@@H](C)NC(=O)C=Cc2ccccc2-c2nnn[n-]2)c(C)c1 ZINC000737333972 598534884 /nfs/dbraw/zinc/53/48/84/598534884.db2.gz DMTSEKXKUPAJOL-SIFUEBAJSA-N -1 3 361.449 3.244 20 0 FGADHM Cc1ccc(C[C@@H](C)NC(=O)C=Cc2ccccc2-c2nn[n-]n2)c(C)c1 ZINC000737333972 598534886 /nfs/dbraw/zinc/53/48/86/598534886.db2.gz DMTSEKXKUPAJOL-SIFUEBAJSA-N -1 3 361.449 3.244 20 0 FGADHM O=C(COc1ccccc1-c1nnn[n-]1)N(c1ccccc1)C1CCCC1 ZINC000737925455 598535546 /nfs/dbraw/zinc/53/55/46/598535546.db2.gz SIOTVKJLKXFDEA-UHFFFAOYSA-N -1 3 363.421 3.221 20 0 FGADHM O=C(COc1ccccc1-c1nn[n-]n1)N(c1ccccc1)C1CCCC1 ZINC000737925455 598535548 /nfs/dbraw/zinc/53/55/48/598535548.db2.gz SIOTVKJLKXFDEA-UHFFFAOYSA-N -1 3 363.421 3.221 20 0 FGADHM CCCNC(=S)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736487420 598537266 /nfs/dbraw/zinc/53/72/66/598537266.db2.gz GMMRDAYFAVAXPG-UHFFFAOYSA-N -1 3 368.466 3.142 20 0 FGADHM CCCNC(=S)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736487420 598537269 /nfs/dbraw/zinc/53/72/69/598537269.db2.gz GMMRDAYFAVAXPG-UHFFFAOYSA-N -1 3 368.466 3.142 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Cc1cc(C)ccc1C ZINC000736480541 598540689 /nfs/dbraw/zinc/54/06/89/598540689.db2.gz RLODZRQKHCOPQE-UHFFFAOYSA-N -1 3 363.465 3.465 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Cc1cc(C)ccc1C ZINC000736480541 598540690 /nfs/dbraw/zinc/54/06/90/598540690.db2.gz RLODZRQKHCOPQE-UHFFFAOYSA-N -1 3 363.465 3.465 20 0 FGADHM CCN(C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)[C@H](C)C(C)C ZINC000736505502 598560531 /nfs/dbraw/zinc/56/05/31/598560531.db2.gz KLIRBKPWBGVQPS-SNVBAGLBSA-N -1 3 368.388 3.366 20 0 FGADHM CCN(C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)[C@H](C)C(C)C ZINC000736505502 598560532 /nfs/dbraw/zinc/56/05/32/598560532.db2.gz KLIRBKPWBGVQPS-SNVBAGLBSA-N -1 3 368.388 3.366 20 0 FGADHM C[C@H]1C[C@@H]1NC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736235124 598564980 /nfs/dbraw/zinc/56/49/80/598564980.db2.gz DEZZKINGTQHYLW-ZBEGNZNMSA-N -1 3 350.382 3.189 20 0 FGADHM C[C@H]1C[C@@H]1NC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736235124 598564983 /nfs/dbraw/zinc/56/49/83/598564983.db2.gz DEZZKINGTQHYLW-ZBEGNZNMSA-N -1 3 350.382 3.189 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000738162701 598570020 /nfs/dbraw/zinc/57/00/20/598570020.db2.gz LLMGNGFFEKPMCY-MNOVXSKESA-N -1 3 359.311 3.026 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000738162701 598570021 /nfs/dbraw/zinc/57/00/21/598570021.db2.gz LLMGNGFFEKPMCY-MNOVXSKESA-N -1 3 359.311 3.026 20 0 FGADHM Cc1cc(C)cc(OC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737250414 598570722 /nfs/dbraw/zinc/57/07/22/598570722.db2.gz LYRRKXDWEKZVFF-SFHVURJKSA-N -1 3 363.421 3.058 20 0 FGADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)[C@@H]1CCOc2ccccc21 ZINC000738163869 598582546 /nfs/dbraw/zinc/58/25/46/598582546.db2.gz QREJZUQNOYVUTB-GFCCVEGCSA-N -1 3 355.785 3.025 20 0 FGADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)[C@@H]1CCOc2ccccc21 ZINC000738163869 598582547 /nfs/dbraw/zinc/58/25/47/598582547.db2.gz QREJZUQNOYVUTB-GFCCVEGCSA-N -1 3 355.785 3.025 20 0 FGADHM CCOc1ccc(SCC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000736651916 598588422 /nfs/dbraw/zinc/58/84/22/598588422.db2.gz SFFLUEDDOLGEKY-UHFFFAOYSA-N -1 3 373.413 3.135 20 0 FGADHM CCOc1ccc(SCC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000736651916 598588424 /nfs/dbraw/zinc/58/84/24/598588424.db2.gz SFFLUEDDOLGEKY-UHFFFAOYSA-N -1 3 373.413 3.135 20 0 FGADHM Cc1ccc(C)c(C(=O)CCC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000737320406 598598804 /nfs/dbraw/zinc/59/88/04/598598804.db2.gz QMDSLCUTNQYXTO-UHFFFAOYSA-N -1 3 367.384 3.224 20 0 FGADHM Cc1ccc(C)c(C(=O)CCC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000737320406 598598806 /nfs/dbraw/zinc/59/88/06/598598806.db2.gz QMDSLCUTNQYXTO-UHFFFAOYSA-N -1 3 367.384 3.224 20 0 FGADHM c1ccc(OCc2noc(CSc3ccc(-c4nnn[n-]4)cc3)n2)cc1 ZINC000738436051 598609119 /nfs/dbraw/zinc/60/91/19/598609119.db2.gz MUHYFIUOXQDLSE-UHFFFAOYSA-N -1 3 366.406 3.121 20 0 FGADHM c1ccc(OCc2noc(CSc3ccc(-c4nn[n-]n4)cc3)n2)cc1 ZINC000738436051 598609120 /nfs/dbraw/zinc/60/91/20/598609120.db2.gz MUHYFIUOXQDLSE-UHFFFAOYSA-N -1 3 366.406 3.121 20 0 FGADHM Clc1ccc(Cc2noc(COc3ccc(-c4nn[n-]n4)cc3)n2)cc1 ZINC000737577852 598612793 /nfs/dbraw/zinc/61/27/93/598612793.db2.gz WXQKSNUYCHTELX-UHFFFAOYSA-N -1 3 368.784 3.073 20 0 FGADHM C[C@@H](NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1cc(F)ccc1F ZINC000736114348 598624047 /nfs/dbraw/zinc/62/40/47/598624047.db2.gz BIFBWNKHGQERCR-MRVPVSSYSA-N -1 3 362.315 3.167 20 0 FGADHM C[C@@H](NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1cc(F)ccc1F ZINC000736114348 598624049 /nfs/dbraw/zinc/62/40/49/598624049.db2.gz BIFBWNKHGQERCR-MRVPVSSYSA-N -1 3 362.315 3.167 20 0 FGADHM Cc1cccc(NC(=O)CN(C)c2c(Cl)cccc2-c2nnn[n-]2)c1C ZINC000737399021 598631712 /nfs/dbraw/zinc/63/17/12/598631712.db2.gz KFARUYZWLVIZMO-UHFFFAOYSA-N -1 3 370.844 3.212 20 0 FGADHM Cc1cccc(NC(=O)CN(C)c2c(Cl)cccc2-c2nn[n-]n2)c1C ZINC000737399021 598631714 /nfs/dbraw/zinc/63/17/14/598631714.db2.gz KFARUYZWLVIZMO-UHFFFAOYSA-N -1 3 370.844 3.212 20 0 FGADHM Fc1ccc(N2CCC(OCc3ccccc3)CC2)c(-c2nnn[n-]2)c1 ZINC000737658032 598633632 /nfs/dbraw/zinc/63/36/32/598633632.db2.gz BVRJVPNTDYMVLT-UHFFFAOYSA-N -1 3 353.401 3.191 20 0 FGADHM Fc1ccc(N2CCC(OCc3ccccc3)CC2)c(-c2nn[n-]n2)c1 ZINC000737658032 598633634 /nfs/dbraw/zinc/63/36/34/598633634.db2.gz BVRJVPNTDYMVLT-UHFFFAOYSA-N -1 3 353.401 3.191 20 0 FGADHM Fc1ccc(N2CCC(COc3ccccc3)CC2)c(-c2nnn[n-]2)c1 ZINC000737661452 598635686 /nfs/dbraw/zinc/63/56/86/598635686.db2.gz WMNYFYBENVDDCI-UHFFFAOYSA-N -1 3 353.401 3.301 20 0 FGADHM Fc1ccc(N2CCC(COc3ccccc3)CC2)c(-c2nn[n-]n2)c1 ZINC000737661452 598635688 /nfs/dbraw/zinc/63/56/88/598635688.db2.gz WMNYFYBENVDDCI-UHFFFAOYSA-N -1 3 353.401 3.301 20 0 FGADHM Cc1ccnc(NC(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)c1 ZINC000737437295 598648514 /nfs/dbraw/zinc/64/85/14/598648514.db2.gz NTIVMNFEBMWHID-UHFFFAOYSA-N -1 3 373.376 3.010 20 0 FGADHM Cc1ccnc(NC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)c1 ZINC000737437295 598648516 /nfs/dbraw/zinc/64/85/16/598648516.db2.gz NTIVMNFEBMWHID-UHFFFAOYSA-N -1 3 373.376 3.010 20 0 FGADHM CC(=CC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1)c1cccc(F)c1 ZINC000735450500 598649186 /nfs/dbraw/zinc/64/91/86/598649186.db2.gz ZFGLAMUGONBKAW-JLHYYAGUSA-N -1 3 351.385 3.068 20 0 FGADHM CC(=CC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1)c1cccc(F)c1 ZINC000735450500 598649188 /nfs/dbraw/zinc/64/91/88/598649188.db2.gz ZFGLAMUGONBKAW-JLHYYAGUSA-N -1 3 351.385 3.068 20 0 FGADHM CC[C@H](Sc1ccccc1)C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000736390788 598649831 /nfs/dbraw/zinc/64/98/31/598649831.db2.gz KEASCHQROLJXPK-INIZCTEOSA-N -1 3 353.451 3.054 20 0 FGADHM CC[C@H](Sc1ccccc1)C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000736390788 598649833 /nfs/dbraw/zinc/64/98/33/598649833.db2.gz KEASCHQROLJXPK-INIZCTEOSA-N -1 3 353.451 3.054 20 0 FGADHM CC(C)c1ocnc1C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000735954243 598650726 /nfs/dbraw/zinc/65/07/26/598650726.db2.gz WUQIPBZSQLTXSH-UHFFFAOYSA-N -1 3 354.414 3.029 20 0 FGADHM CC(C)c1ocnc1C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000735954243 598650727 /nfs/dbraw/zinc/65/07/27/598650727.db2.gz WUQIPBZSQLTXSH-UHFFFAOYSA-N -1 3 354.414 3.029 20 0 FGADHM CC(C)N(CC1CC1)C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000735858838 598652617 /nfs/dbraw/zinc/65/26/17/598652617.db2.gz HQXLZOPRLOSEJD-UHFFFAOYSA-N -1 3 357.458 3.063 20 0 FGADHM CC(C)N(CC1CC1)C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000735858838 598652618 /nfs/dbraw/zinc/65/26/18/598652618.db2.gz HQXLZOPRLOSEJD-UHFFFAOYSA-N -1 3 357.458 3.063 20 0 FGADHM CCCCN(CC(F)(F)F)C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736457099 598653336 /nfs/dbraw/zinc/65/33/36/598653336.db2.gz OGRDJHJPRHQLOR-UHFFFAOYSA-N -1 3 373.404 3.150 20 0 FGADHM CCCCN(CC(F)(F)F)C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736457099 598653337 /nfs/dbraw/zinc/65/33/37/598653337.db2.gz OGRDJHJPRHQLOR-UHFFFAOYSA-N -1 3 373.404 3.150 20 0 FGADHM C[C@@H](CCNC(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000735986111 598658081 /nfs/dbraw/zinc/65/80/81/598658081.db2.gz LSSIXUDNDDAQAT-AWEZNQCLSA-N -1 3 367.478 3.269 20 0 FGADHM C[C@@H](CCNC(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000735986111 598658083 /nfs/dbraw/zinc/65/80/83/598658083.db2.gz LSSIXUDNDDAQAT-AWEZNQCLSA-N -1 3 367.478 3.269 20 0 FGADHM CC(=CC(=O)Nc1ccc(-c2nnn[n-]2)cn1)c1ccc(C(F)(F)F)cc1 ZINC000735446770 598661986 /nfs/dbraw/zinc/66/19/86/598661986.db2.gz FSYBDUVRUBCCCL-CSKARUKUSA-N -1 3 374.326 3.323 20 0 FGADHM CC(=CC(=O)Nc1ccc(-c2nn[n-]n2)cn1)c1ccc(C(F)(F)F)cc1 ZINC000735446770 598661988 /nfs/dbraw/zinc/66/19/88/598661988.db2.gz FSYBDUVRUBCCCL-CSKARUKUSA-N -1 3 374.326 3.323 20 0 FGADHM CN(C(=O)c1sccc1-c1nnn[n-]1)[C@H](c1ccccc1)C(F)(F)F ZINC000736740888 598662135 /nfs/dbraw/zinc/66/21/35/598662135.db2.gz JCBYKQONTSMEDJ-GFCCVEGCSA-N -1 3 367.356 3.304 20 0 FGADHM CN(C(=O)c1sccc1-c1nn[n-]n1)[C@H](c1ccccc1)C(F)(F)F ZINC000736740888 598662137 /nfs/dbraw/zinc/66/21/37/598662137.db2.gz JCBYKQONTSMEDJ-GFCCVEGCSA-N -1 3 367.356 3.304 20 0 FGADHM O=C(CCSCc1ccc(F)cc1-c1nnn[n-]1)Nc1ccccc1 ZINC000737850439 598697590 /nfs/dbraw/zinc/69/75/90/598697590.db2.gz YDJUHHHKXXCIGP-UHFFFAOYSA-N -1 3 357.414 3.268 20 0 FGADHM O=C(CCSCc1ccc(F)cc1-c1nn[n-]n1)Nc1ccccc1 ZINC000737850439 598697591 /nfs/dbraw/zinc/69/75/91/598697591.db2.gz YDJUHHHKXXCIGP-UHFFFAOYSA-N -1 3 357.414 3.268 20 0 FGADHM Cc1ccc(C(=O)CCC(=O)OCc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000737310246 598701596 /nfs/dbraw/zinc/70/15/96/598701596.db2.gz ZRIOWMKPDZFQDF-UHFFFAOYSA-N -1 3 368.368 3.021 20 0 FGADHM Cc1ccc(C(=O)CCC(=O)OCc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000737310246 598701598 /nfs/dbraw/zinc/70/15/98/598701598.db2.gz ZRIOWMKPDZFQDF-UHFFFAOYSA-N -1 3 368.368 3.021 20 0 FGADHM O=C(Cc1c(F)cccc1Cl)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737954526 598706833 /nfs/dbraw/zinc/70/68/33/598706833.db2.gz ZYZRZFHFDROXHV-UHFFFAOYSA-N -1 3 364.739 3.084 20 0 FGADHM O=C(Cc1c(F)cccc1Cl)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737954526 598706835 /nfs/dbraw/zinc/70/68/35/598706835.db2.gz ZYZRZFHFDROXHV-UHFFFAOYSA-N -1 3 364.739 3.084 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)c1c[nH]nc1C1CCCCC1 ZINC000738232051 598711370 /nfs/dbraw/zinc/71/13/70/598711370.db2.gz OERMCZYJIXRIPF-UHFFFAOYSA-N -1 3 370.388 3.134 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)c1c[nH]nc1C1CCCCC1 ZINC000738232051 598711371 /nfs/dbraw/zinc/71/13/71/598711371.db2.gz OERMCZYJIXRIPF-UHFFFAOYSA-N -1 3 370.388 3.134 20 0 FGADHM CC(=CC(=O)OCCOc1ccccc1-c1nnn[n-]1)c1cccc(F)c1 ZINC000735447538 598724242 /nfs/dbraw/zinc/72/42/42/598724242.db2.gz LBBLFLVOJCKDJY-ACCUITESSA-N -1 3 368.368 3.031 20 0 FGADHM CC(=CC(=O)OCCOc1ccccc1-c1nn[n-]n1)c1cccc(F)c1 ZINC000735447538 598724244 /nfs/dbraw/zinc/72/42/44/598724244.db2.gz LBBLFLVOJCKDJY-ACCUITESSA-N -1 3 368.368 3.031 20 0 FGADHM COc1ccc([C@H](C)OC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1Cl ZINC000737077843 598729122 /nfs/dbraw/zinc/72/91/22/598729122.db2.gz ZTWUVXUMVVMKFU-JTQLQIEISA-N -1 3 358.785 3.447 20 0 FGADHM COc1ccc([C@H](C)OC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC000737077843 598729123 /nfs/dbraw/zinc/72/91/23/598729123.db2.gz ZTWUVXUMVVMKFU-JTQLQIEISA-N -1 3 358.785 3.447 20 0 FGADHM CCc1nc([C@@H](C)NC(=O)Nc2cc(-c3nnn[n-]3)ccc2C)cs1 ZINC000736700229 598729579 /nfs/dbraw/zinc/72/95/79/598729579.db2.gz SDKSVTLJWOFOIJ-SNVBAGLBSA-N -1 3 357.443 3.077 20 0 FGADHM CCc1nc([C@@H](C)NC(=O)Nc2cc(-c3nn[n-]n3)ccc2C)cs1 ZINC000736700229 598729580 /nfs/dbraw/zinc/72/95/80/598729580.db2.gz SDKSVTLJWOFOIJ-SNVBAGLBSA-N -1 3 357.443 3.077 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cnc(-c2ccco2)s1 ZINC000738152700 598735000 /nfs/dbraw/zinc/73/50/00/598735000.db2.gz YCMZVGXMKFORPD-UHFFFAOYSA-N -1 3 372.797 3.489 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cnc(-c2ccco2)s1 ZINC000738152700 598735001 /nfs/dbraw/zinc/73/50/01/598735001.db2.gz YCMZVGXMKFORPD-UHFFFAOYSA-N -1 3 372.797 3.489 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C[C@@H]1CCc2ccccc2C1 ZINC000737056311 598741964 /nfs/dbraw/zinc/74/19/64/598741964.db2.gz CPPNQVNQYRPXCU-CYBMUJFWSA-N -1 3 363.421 3.009 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C[C@@H]1CCc2ccccc2C1 ZINC000737056311 598741965 /nfs/dbraw/zinc/74/19/65/598741965.db2.gz CPPNQVNQYRPXCU-CYBMUJFWSA-N -1 3 363.421 3.009 20 0 FGADHM Cc1ccccc1[C@@H](NC(=O)COc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000737419163 598754823 /nfs/dbraw/zinc/75/48/23/598754823.db2.gz DDLJMWDFHVLWMM-IBGZPJMESA-N -1 3 365.437 3.067 20 0 FGADHM Fc1cc(F)c2ncc(-c3nnn[n-]3)c(NCCc3ccccc3)c2c1 ZINC000737649302 598769647 /nfs/dbraw/zinc/76/96/47/598769647.db2.gz FDDCVNRHBWHXQJ-UHFFFAOYSA-N -1 3 352.348 3.348 20 0 FGADHM Fc1cc(F)c2ncc(-c3nn[n-]n3)c(NCCc3ccccc3)c2c1 ZINC000737649302 598769648 /nfs/dbraw/zinc/76/96/48/598769648.db2.gz FDDCVNRHBWHXQJ-UHFFFAOYSA-N -1 3 352.348 3.348 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)O[C@H](C)CC(C)C ZINC000737033852 598785380 /nfs/dbraw/zinc/78/53/80/598785380.db2.gz VCJYKMMXHIJILQ-CYBMUJFWSA-N -1 3 362.430 3.012 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)O[C@H](C)CC(C)C ZINC000737033852 598785381 /nfs/dbraw/zinc/78/53/81/598785381.db2.gz VCJYKMMXHIJILQ-CYBMUJFWSA-N -1 3 362.430 3.012 20 0 FGADHM Cc1oc(NC(=O)CN(C)c2cccc(C(C)C)c2)c(-c2nnn[n-]2)c1C ZINC000822548323 607365063 /nfs/dbraw/zinc/36/50/63/607365063.db2.gz IFVHIBBIMAXLEY-UHFFFAOYSA-N -1 3 368.441 3.275 20 0 FGADHM CC(C)(Oc1cccc(Cl)c1)C(=O)OCc1ccccc1-c1nnn[n-]1 ZINC000735679237 598799556 /nfs/dbraw/zinc/79/95/56/598799556.db2.gz GQDCYGCZAOHOKG-UHFFFAOYSA-N -1 3 372.812 3.421 20 0 FGADHM CC(C)(Oc1cccc(Cl)c1)C(=O)OCc1ccccc1-c1nn[n-]n1 ZINC000735679237 598799557 /nfs/dbraw/zinc/79/95/57/598799557.db2.gz GQDCYGCZAOHOKG-UHFFFAOYSA-N -1 3 372.812 3.421 20 0 FGADHM CC(C)[C@H](c1ccccc1)N(C)C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000735734682 598801450 /nfs/dbraw/zinc/80/14/50/598801450.db2.gz JKTTVERUDVZCLO-GOSISDBHSA-N -1 3 364.453 3.405 20 0 FGADHM CC(C)[C@H](c1ccccc1)N(C)C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000735734682 598801452 /nfs/dbraw/zinc/80/14/52/598801452.db2.gz JKTTVERUDVZCLO-GOSISDBHSA-N -1 3 364.453 3.405 20 0 FGADHM CC(C)c1ccc(C(=O)Nc2ccnn2-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735923954 598807310 /nfs/dbraw/zinc/80/73/10/598807310.db2.gz ZWJYQZNQSLGFIT-UHFFFAOYSA-N -1 3 373.420 3.428 20 0 FGADHM CC[C@@H](C)[C@@H](C)NC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000736328380 598810472 /nfs/dbraw/zinc/81/04/72/598810472.db2.gz HLCDRAOERHQYKI-CHWSQXEVSA-N -1 3 369.425 3.203 20 0 FGADHM CC[C@@H](C)[C@@H](C)NC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000736328380 598810474 /nfs/dbraw/zinc/81/04/74/598810474.db2.gz HLCDRAOERHQYKI-CHWSQXEVSA-N -1 3 369.425 3.203 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1CSCCCOCC(F)(F)F ZINC000821749269 607367325 /nfs/dbraw/zinc/36/73/25/607367325.db2.gz DIELGYDBDOKMDW-UHFFFAOYSA-N -1 3 362.377 3.078 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1CSCCCOCC(F)(F)F ZINC000821749269 607367327 /nfs/dbraw/zinc/36/73/27/607367327.db2.gz DIELGYDBDOKMDW-UHFFFAOYSA-N -1 3 362.377 3.078 20 0 FGADHM Cc1cnc(C(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)cn1 ZINC000737444826 598821761 /nfs/dbraw/zinc/82/17/61/598821761.db2.gz BBKMJFXIPFPJPU-UHFFFAOYSA-N -1 3 373.376 3.010 20 0 FGADHM CC(C)[C@@H](c1ccccc1Cl)N(C)C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000735736657 598822512 /nfs/dbraw/zinc/82/25/12/598822512.db2.gz UYNCQUARLGJZNF-INIZCTEOSA-N -1 3 370.844 3.384 20 0 FGADHM CC(C)[C@@H](c1ccccc1Cl)N(C)C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000735736657 598822513 /nfs/dbraw/zinc/82/25/13/598822513.db2.gz UYNCQUARLGJZNF-INIZCTEOSA-N -1 3 370.844 3.384 20 0 FGADHM Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737265565 599306428 /nfs/dbraw/zinc/30/64/28/599306428.db2.gz WWZFUCSGEAJWNG-LBPRGKRZSA-N -1 3 371.828 3.259 20 0 FGADHM Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737265565 599306431 /nfs/dbraw/zinc/30/64/31/599306431.db2.gz WWZFUCSGEAJWNG-LBPRGKRZSA-N -1 3 371.828 3.259 20 0 FGADHM Cc1cc2occ(CC(=O)N(C)c3ccc(-c4nnn[n-]4)cc3)c2cc1C ZINC000737283753 599308162 /nfs/dbraw/zinc/30/81/62/599308162.db2.gz GLDRJMWAPHPFBH-UHFFFAOYSA-N -1 3 361.405 3.435 20 0 FGADHM Cc1cc2occ(CC(=O)N(C)c3ccc(-c4nn[n-]n4)cc3)c2cc1C ZINC000737283753 599308164 /nfs/dbraw/zinc/30/81/64/599308164.db2.gz GLDRJMWAPHPFBH-UHFFFAOYSA-N -1 3 361.405 3.435 20 0 FGADHM c1cc(-c2nc(CC3CC3)no2)oc1COc1ccccc1-c1nnn[n-]1 ZINC000823771934 599310506 /nfs/dbraw/zinc/31/05/06/599310506.db2.gz FUEMQTNEGZOEHD-UHFFFAOYSA-N -1 3 364.365 3.041 20 0 FGADHM c1cc(-c2nc(CC3CC3)no2)oc1COc1ccccc1-c1nn[n-]n1 ZINC000823771934 599310507 /nfs/dbraw/zinc/31/05/07/599310507.db2.gz FUEMQTNEGZOEHD-UHFFFAOYSA-N -1 3 364.365 3.041 20 0 FGADHM c1ccc(-c2nnn[n-]2)c(COc2ccc(-c3nc(CC4CC4)no3)cc2)c1 ZINC000823772389 599310603 /nfs/dbraw/zinc/31/06/03/599310603.db2.gz KNEMMEOBQWCINI-UHFFFAOYSA-N -1 3 374.404 3.448 20 0 FGADHM c1ccc(-c2nn[n-]n2)c(COc2ccc(-c3nc(CC4CC4)no3)cc2)c1 ZINC000823772389 599310607 /nfs/dbraw/zinc/31/06/07/599310607.db2.gz KNEMMEOBQWCINI-UHFFFAOYSA-N -1 3 374.404 3.448 20 0 FGADHM COc1ccc(OC(C)C)c(NCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737107982 599330293 /nfs/dbraw/zinc/33/02/93/599330293.db2.gz HSBXQAVZFABINE-UHFFFAOYSA-N -1 3 369.425 3.153 20 0 FGADHM COc1ccc(OC(C)C)c(NCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737107982 599330296 /nfs/dbraw/zinc/33/02/96/599330296.db2.gz HSBXQAVZFABINE-UHFFFAOYSA-N -1 3 369.425 3.153 20 0 FGADHM C[C@H](SCC(=O)NC1CCC(C)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736238767 599331208 /nfs/dbraw/zinc/33/12/08/599331208.db2.gz CXAXYOLFGMZLIB-UYJPIKCFSA-N -1 3 359.499 3.356 20 0 FGADHM C[C@H](SCC(=O)NC1CCC(C)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736238767 599331212 /nfs/dbraw/zinc/33/12/12/599331212.db2.gz CXAXYOLFGMZLIB-UYJPIKCFSA-N -1 3 359.499 3.356 20 0 FGADHM COc1cccc(NC(=O)CS[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737138380 599331430 /nfs/dbraw/zinc/33/14/30/599331430.db2.gz HCDZYJDESJQTIO-GFCCVEGCSA-N -1 3 369.450 3.308 20 0 FGADHM COc1cccc(NC(=O)CS[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737138380 599331433 /nfs/dbraw/zinc/33/14/33/599331433.db2.gz HCDZYJDESJQTIO-GFCCVEGCSA-N -1 3 369.450 3.308 20 0 FGADHM C[C@H](S[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1cccs1 ZINC000736187948 599332766 /nfs/dbraw/zinc/33/27/66/599332766.db2.gz DVIFFTXMMWNLNH-RYUDHWBXSA-N -1 3 373.507 3.427 20 0 FGADHM C[C@H](S[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1cccs1 ZINC000736187948 599332768 /nfs/dbraw/zinc/33/27/68/599332768.db2.gz DVIFFTXMMWNLNH-RYUDHWBXSA-N -1 3 373.507 3.427 20 0 FGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1)c1ccccc1OC1CCC1 ZINC000738231632 599337158 /nfs/dbraw/zinc/33/71/58/599337158.db2.gz FCVPPQIVYSHOHM-UHFFFAOYSA-N -1 3 350.378 3.155 20 0 FGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1)c1ccccc1OC1CCC1 ZINC000738231632 599337161 /nfs/dbraw/zinc/33/71/61/599337161.db2.gz FCVPPQIVYSHOHM-UHFFFAOYSA-N -1 3 350.378 3.155 20 0 FGADHM CCc1c(C(=O)CSc2ccccc2-c2nnn[n-]2)[nH]c(C)c1C(C)=O ZINC000821461518 599341499 /nfs/dbraw/zinc/34/14/99/599341499.db2.gz PXQSKPXYOGAIKI-UHFFFAOYSA-N -1 3 369.450 3.243 20 0 FGADHM CCc1c(C(=O)CSc2ccccc2-c2nn[n-]n2)[nH]c(C)c1C(C)=O ZINC000821461518 599341502 /nfs/dbraw/zinc/34/15/02/599341502.db2.gz PXQSKPXYOGAIKI-UHFFFAOYSA-N -1 3 369.450 3.243 20 0 FGADHM O=C1[C@@H](Sc2ccccc2-c2nnn[n-]2)CCCN1c1cccc(F)c1 ZINC000823512147 599354197 /nfs/dbraw/zinc/35/41/97/599354197.db2.gz LKMVBZOLEWVBGK-INIZCTEOSA-N -1 3 369.425 3.294 20 0 FGADHM O=C1[C@@H](Sc2ccccc2-c2nn[n-]n2)CCCN1c1cccc(F)c1 ZINC000823512147 599354199 /nfs/dbraw/zinc/35/41/99/599354199.db2.gz LKMVBZOLEWVBGK-INIZCTEOSA-N -1 3 369.425 3.294 20 0 FGADHM C[C@@H](Nc1cccc(CN2CCCC2=O)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820461660 599365438 /nfs/dbraw/zinc/36/54/38/599365438.db2.gz PBIVHNOMHDJERG-CQSZACIVSA-N -1 3 362.437 3.162 20 0 FGADHM C[C@@H](Nc1cccc(CN2CCCC2=O)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820461660 599365440 /nfs/dbraw/zinc/36/54/40/599365440.db2.gz PBIVHNOMHDJERG-CQSZACIVSA-N -1 3 362.437 3.162 20 0 FGADHM c1cnc2ccc(OCc3nnc(-c4cccc(-c5nnn[n-]5)c4)o3)cc2c1 ZINC000823738612 599385302 /nfs/dbraw/zinc/38/53/02/599385302.db2.gz WMHMXMWSOSMNLJ-UHFFFAOYSA-N -1 3 371.360 3.044 20 0 FGADHM c1cnc2ccc(OCc3nnc(-c4cccc(-c5nn[n-]n5)c4)o3)cc2c1 ZINC000823738612 599385305 /nfs/dbraw/zinc/38/53/05/599385305.db2.gz WMHMXMWSOSMNLJ-UHFFFAOYSA-N -1 3 371.360 3.044 20 0 FGADHM Cc1cc(-c2nn[n-]n2)cc(C)c1OCc1nnc(-c2cccc(F)c2)o1 ZINC000822136521 599389406 /nfs/dbraw/zinc/38/94/06/599389406.db2.gz MCAVEBZRXRYXRB-UHFFFAOYSA-N -1 3 366.356 3.252 20 0 FGADHM FC(F)(F)COc1ccc(OCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822718891 599389718 /nfs/dbraw/zinc/38/97/18/599389718.db2.gz SOBBSYWQZLTOLP-UHFFFAOYSA-N -1 3 350.300 3.387 20 0 FGADHM FC(F)(F)COc1ccc(OCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822718891 599389720 /nfs/dbraw/zinc/38/97/20/599389720.db2.gz SOBBSYWQZLTOLP-UHFFFAOYSA-N -1 3 350.300 3.387 20 0 FGADHM Cc1ccccc1N1CCN(c2cc(Cl)ccc2-c2nnn[n-]2)CC1 ZINC000737436269 599395460 /nfs/dbraw/zinc/39/54/60/599395460.db2.gz QCYCOKXHWPONHF-UHFFFAOYSA-N -1 3 354.845 3.155 20 0 FGADHM Cc1ccccc1N1CCN(c2cc(Cl)ccc2-c2nn[n-]n2)CC1 ZINC000737436269 599395464 /nfs/dbraw/zinc/39/54/64/599395464.db2.gz QCYCOKXHWPONHF-UHFFFAOYSA-N -1 3 354.845 3.155 20 0 FGADHM Clc1ccc(-c2nnn[n-]2)c(NCCc2cnn(-c3ccccc3)c2)c1 ZINC000737571081 599403170 /nfs/dbraw/zinc/40/31/70/599403170.db2.gz QTAQCTSUFTXJDA-UHFFFAOYSA-N -1 3 365.828 3.360 20 0 FGADHM Clc1ccc(-c2nn[n-]n2)c(NCCc2cnn(-c3ccccc3)c2)c1 ZINC000737571081 599403171 /nfs/dbraw/zinc/40/31/71/599403171.db2.gz QTAQCTSUFTXJDA-UHFFFAOYSA-N -1 3 365.828 3.360 20 0 FGADHM Fc1cc(CNCc2ccc(-c3nnn[n-]3)o2)ccc1Oc1cccnc1 ZINC000822748044 599415301 /nfs/dbraw/zinc/41/53/01/599415301.db2.gz FBBWWMYVFFDKCQ-UHFFFAOYSA-N -1 3 366.356 3.076 20 0 FGADHM Fc1cc(CNCc2ccc(-c3nn[n-]n3)o2)ccc1Oc1cccnc1 ZINC000822748044 599415303 /nfs/dbraw/zinc/41/53/03/599415303.db2.gz FBBWWMYVFFDKCQ-UHFFFAOYSA-N -1 3 366.356 3.076 20 0 FGADHM COc1ccc(CNc2ccnn2C2CCCCC2)cc1-c1nnn[n-]1 ZINC000821824914 599426393 /nfs/dbraw/zinc/42/63/93/599426393.db2.gz QHGJRCYGSBLJIA-UHFFFAOYSA-N -1 3 353.430 3.189 20 0 FGADHM COc1ccc(CNc2ccnn2C2CCCCC2)cc1-c1nn[n-]n1 ZINC000821824914 599426396 /nfs/dbraw/zinc/42/63/96/599426396.db2.gz QHGJRCYGSBLJIA-UHFFFAOYSA-N -1 3 353.430 3.189 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1CSc1ccc(NC(C)=O)cc1 ZINC000821752338 607377692 /nfs/dbraw/zinc/37/76/92/607377692.db2.gz KTNQTQNRHCDFRO-UHFFFAOYSA-N -1 3 355.423 3.126 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1CSc1ccc(NC(C)=O)cc1 ZINC000821752338 607377694 /nfs/dbraw/zinc/37/76/94/607377694.db2.gz KTNQTQNRHCDFRO-UHFFFAOYSA-N -1 3 355.423 3.126 20 0 FGADHM Cc1cc(C(=O)OCC(=O)c2cccc(-c3nnn[n-]3)c2)c(Cl)cc1F ZINC000826261253 607379253 /nfs/dbraw/zinc/37/92/53/607379253.db2.gz XURKULRTHOMETM-UHFFFAOYSA-N -1 3 374.759 3.007 20 0 FGADHM Cc1cc(C(=O)OCC(=O)c2cccc(-c3nn[n-]n3)c2)c(Cl)cc1F ZINC000826261253 607379255 /nfs/dbraw/zinc/37/92/55/607379255.db2.gz XURKULRTHOMETM-UHFFFAOYSA-N -1 3 374.759 3.007 20 0 FGADHM CC(C)C(=O)Nc1cccc(OCc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000735690722 599473877 /nfs/dbraw/zinc/47/38/77/599473877.db2.gz MEBJHQALXRIZML-UHFFFAOYSA-N -1 3 355.373 3.179 20 0 FGADHM CC(C)C(=O)Nc1cccc(OCc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000735690722 599473879 /nfs/dbraw/zinc/47/38/79/599473879.db2.gz MEBJHQALXRIZML-UHFFFAOYSA-N -1 3 355.373 3.179 20 0 FGADHM C[C@H](NC(=O)N1C[C@@H](C)[C@@H]1c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820341306 599475925 /nfs/dbraw/zinc/47/59/25/599475925.db2.gz PQSWJJFLSIHCBY-QWQRMKEZSA-N -1 3 362.437 3.330 20 0 FGADHM C[C@H](NC(=O)N1C[C@@H](C)[C@@H]1c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820341306 599475928 /nfs/dbraw/zinc/47/59/28/599475928.db2.gz PQSWJJFLSIHCBY-QWQRMKEZSA-N -1 3 362.437 3.330 20 0 FGADHM C[C@@H](NC(=O)NCc1ccccc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000820373257 599481562 /nfs/dbraw/zinc/48/15/62/599481562.db2.gz GXPPMBCXVWBAKP-LLVKDONJSA-N -1 3 356.817 3.081 20 0 FGADHM C[C@@H](NC(=O)NCc1ccccc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000820373257 599481565 /nfs/dbraw/zinc/48/15/65/599481565.db2.gz GXPPMBCXVWBAKP-LLVKDONJSA-N -1 3 356.817 3.081 20 0 FGADHM COCCOc1cccc(CNc2c(Cl)cccc2-c2nnn[n-]2)c1 ZINC000821694003 599482822 /nfs/dbraw/zinc/48/28/22/599482822.db2.gz YWRNZXHYVYYART-UHFFFAOYSA-N -1 3 359.817 3.157 20 0 FGADHM COCCOc1cccc(CNc2c(Cl)cccc2-c2nn[n-]n2)c1 ZINC000821694003 599482823 /nfs/dbraw/zinc/48/28/23/599482823.db2.gz YWRNZXHYVYYART-UHFFFAOYSA-N -1 3 359.817 3.157 20 0 FGADHM c1cc(CNc2ccc(OCC3CCOCC3)cc2)cc(-c2nnn[n-]2)c1 ZINC000738413477 599493359 /nfs/dbraw/zinc/49/33/59/599493359.db2.gz RRDGCKGCCOOWFL-UHFFFAOYSA-N -1 3 365.437 3.284 20 0 FGADHM c1cc(CNc2ccc(OCC3CCOCC3)cc2)cc(-c2nn[n-]n2)c1 ZINC000738413477 599493361 /nfs/dbraw/zinc/49/33/61/599493361.db2.gz RRDGCKGCCOOWFL-UHFFFAOYSA-N -1 3 365.437 3.284 20 0 FGADHM Fc1ccc(NC[C@@H]2CCN(c3ccc(F)c(F)c3)C2)c(-c2nnn[n-]2)c1 ZINC000822778203 599498726 /nfs/dbraw/zinc/49/87/26/599498726.db2.gz FORGIDGABMCYNM-NSHDSACASA-N -1 3 374.370 3.222 20 0 FGADHM Fc1ccc(NC[C@@H]2CCN(c3ccc(F)c(F)c3)C2)c(-c2nn[n-]n2)c1 ZINC000822778203 599498729 /nfs/dbraw/zinc/49/87/29/599498729.db2.gz FORGIDGABMCYNM-NSHDSACASA-N -1 3 374.370 3.222 20 0 FGADHM COc1ccccc1C(C)=CC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821883125 599500421 /nfs/dbraw/zinc/50/04/21/599500421.db2.gz QMNSUAQQKAMAPL-CMPYXILNSA-N -1 3 363.421 3.156 20 0 FGADHM COc1ccccc1C(C)=CC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821883125 599500423 /nfs/dbraw/zinc/50/04/23/599500423.db2.gz QMNSUAQQKAMAPL-CMPYXILNSA-N -1 3 363.421 3.156 20 0 FGADHM C[C@@H](NC(=O)c1cnc(-c2ccco2)s1)c1cccc(-c2nnn[n-]2)c1 ZINC000820403371 599506915 /nfs/dbraw/zinc/50/69/15/599506915.db2.gz JJCUPRDIRDTGGL-SNVBAGLBSA-N -1 3 366.406 3.074 20 0 FGADHM C[C@@H](NC(=O)c1cnc(-c2ccco2)s1)c1cccc(-c2nn[n-]n2)c1 ZINC000820403371 599506916 /nfs/dbraw/zinc/50/69/16/599506916.db2.gz JJCUPRDIRDTGGL-SNVBAGLBSA-N -1 3 366.406 3.074 20 0 FGADHM Cc1ccc([C@H](O)CNc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)cc1 ZINC000737321199 599521272 /nfs/dbraw/zinc/52/12/72/599521272.db2.gz ZLNUDZIEPOZFDT-OAHLLOKOSA-N -1 3 363.343 3.339 20 0 FGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)c1cccc(OC(F)F)c1 ZINC000737946823 599523326 /nfs/dbraw/zinc/52/33/26/599523326.db2.gz GHVJBXOTQBZRMC-UHFFFAOYSA-N -1 3 362.361 3.443 20 0 FGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)c1cccc(OC(F)F)c1 ZINC000737946823 599523328 /nfs/dbraw/zinc/52/33/28/599523328.db2.gz GHVJBXOTQBZRMC-UHFFFAOYSA-N -1 3 362.361 3.443 20 0 FGADHM C[C@@H](NC(=O)CSc1ccccc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000820333808 599523529 /nfs/dbraw/zinc/52/35/29/599523529.db2.gz GPXFWFRUIQFKPG-LLVKDONJSA-N -1 3 373.869 3.490 20 0 FGADHM C[C@@H](NC(=O)CSc1ccccc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000820333808 599523530 /nfs/dbraw/zinc/52/35/30/599523530.db2.gz GPXFWFRUIQFKPG-LLVKDONJSA-N -1 3 373.869 3.490 20 0 FGADHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(N3CCC[C@@H]3c3cnn(C)c3)c2c1 ZINC000822195077 599526365 /nfs/dbraw/zinc/52/63/65/599526365.db2.gz GJSBOCDIRBHGQL-QGZVFWFLSA-N -1 3 374.452 3.107 20 0 FGADHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(N3CCC[C@@H]3c3cnn(C)c3)c2c1 ZINC000822195077 599526367 /nfs/dbraw/zinc/52/63/67/599526367.db2.gz GJSBOCDIRBHGQL-QGZVFWFLSA-N -1 3 374.452 3.107 20 0 FGADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N[C@H](C)C[C@H](O)c1ccccc1 ZINC000822336933 607382429 /nfs/dbraw/zinc/38/24/29/607382429.db2.gz URZMJGFIVXPRGF-KDOFPFPSSA-N -1 3 374.448 3.069 20 0 FGADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N[C@H](C)C[C@H](O)c1ccccc1 ZINC000822336933 607382431 /nfs/dbraw/zinc/38/24/31/607382431.db2.gz URZMJGFIVXPRGF-KDOFPFPSSA-N -1 3 374.448 3.069 20 0 FGADHM C[C@H](NC(=O)c1cc2cccc(F)c2o1)c1cccc(-c2nnn[n-]2)c1 ZINC000820390597 599534000 /nfs/dbraw/zinc/53/40/00/599534000.db2.gz JANRMBLPBXGBRJ-JTQLQIEISA-N -1 3 351.341 3.243 20 0 FGADHM C[C@H](NC(=O)c1cc2cccc(F)c2o1)c1cccc(-c2nn[n-]n2)c1 ZINC000820390597 599534003 /nfs/dbraw/zinc/53/40/03/599534003.db2.gz JANRMBLPBXGBRJ-JTQLQIEISA-N -1 3 351.341 3.243 20 0 FGADHM C[C@H](C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)c1cccs1 ZINC000735550748 599543306 /nfs/dbraw/zinc/54/33/06/599543306.db2.gz KWZOBDMQFJIFAP-QMMMGPOBSA-N -1 3 365.365 3.272 20 0 FGADHM C[C@H](C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)c1cccs1 ZINC000735550748 599543307 /nfs/dbraw/zinc/54/33/07/599543307.db2.gz KWZOBDMQFJIFAP-QMMMGPOBSA-N -1 3 365.365 3.272 20 0 FGADHM CC[C@H](NC(=O)CCc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1F ZINC000736356847 599549886 /nfs/dbraw/zinc/54/98/86/599549886.db2.gz ITDNRIPSUOLYDZ-KRWDZBQOSA-N -1 3 371.391 3.345 20 0 FGADHM CC[C@H](NC(=O)CCc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1F ZINC000736356847 599549889 /nfs/dbraw/zinc/54/98/89/599549889.db2.gz ITDNRIPSUOLYDZ-KRWDZBQOSA-N -1 3 371.391 3.345 20 0 FGADHM CN(Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)[C@H]1CCc2ccccc21 ZINC000821618236 599562238 /nfs/dbraw/zinc/56/22/38/599562238.db2.gz WTEXLVGDBRYUON-KRWDZBQOSA-N -1 3 373.420 3.036 20 0 FGADHM C[C@@H](CNC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1)C1CC1 ZINC000736025309 599563833 /nfs/dbraw/zinc/56/38/33/599563833.db2.gz DWTNFHCMQBCCDY-ZDUSSCGKSA-N -1 3 362.437 3.386 20 0 FGADHM CC(C)OCCCN(C)c1c(-c2nnn[n-]2)cnc2ccc(Cl)cc21 ZINC000820142360 599568812 /nfs/dbraw/zinc/56/88/12/599568812.db2.gz MFHKIDLCNCNJSM-UHFFFAOYSA-N -1 3 360.849 3.320 20 0 FGADHM CC(C)OCCCN(C)c1c(-c2nn[n-]n2)cnc2ccc(Cl)cc21 ZINC000820142360 599568813 /nfs/dbraw/zinc/56/88/13/599568813.db2.gz MFHKIDLCNCNJSM-UHFFFAOYSA-N -1 3 360.849 3.320 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N[C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000738152061 599600768 /nfs/dbraw/zinc/60/07/68/599600768.db2.gz QPFHIAQPGSDAHQ-SJLPKXTDSA-N -1 3 362.437 3.400 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N[C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000738152061 599600770 /nfs/dbraw/zinc/60/07/70/599600770.db2.gz QPFHIAQPGSDAHQ-SJLPKXTDSA-N -1 3 362.437 3.400 20 0 FGADHM Cc1ccc(C[C@@H](C)NC(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)s1 ZINC000737334433 599603268 /nfs/dbraw/zinc/60/32/68/599603268.db2.gz HKFPVVFQFOUAHB-GFCCVEGCSA-N -1 3 370.482 3.009 20 0 FGADHM Cc1ccc(C[C@@H](C)NC(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)s1 ZINC000737334433 599603270 /nfs/dbraw/zinc/60/32/70/599603270.db2.gz HKFPVVFQFOUAHB-GFCCVEGCSA-N -1 3 370.482 3.009 20 0 FGADHM Cc1nn(-c2ccccc2)c(COC(=O)CCC(C)(C)C)c1-c1nnn[n-]1 ZINC000737504151 599607952 /nfs/dbraw/zinc/60/79/52/599607952.db2.gz QEGGYRZDXJNPTE-UHFFFAOYSA-N -1 3 368.441 3.230 20 0 FGADHM CCO[C@@H](C)c1ncc(C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)s1 ZINC000821346214 599621688 /nfs/dbraw/zinc/62/16/88/599621688.db2.gz DUFMRPUPJRYWTL-QWRGUYRKSA-N -1 3 373.438 3.339 20 0 FGADHM CCO[C@@H](C)c1ncc(C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)s1 ZINC000821346214 599621689 /nfs/dbraw/zinc/62/16/89/599621689.db2.gz DUFMRPUPJRYWTL-QWRGUYRKSA-N -1 3 373.438 3.339 20 0 FGADHM O=C(OCc1ccccc1-c1nnn[n-]1)[C@H]1SCCc2sccc21 ZINC000823431566 599621823 /nfs/dbraw/zinc/62/18/23/599621823.db2.gz RWAHDEJMYBFBDO-AWEZNQCLSA-N -1 3 358.448 3.002 20 0 FGADHM O=C(OCc1ccccc1-c1nn[n-]n1)[C@H]1SCCc2sccc21 ZINC000823431566 599621824 /nfs/dbraw/zinc/62/18/24/599621824.db2.gz RWAHDEJMYBFBDO-AWEZNQCLSA-N -1 3 358.448 3.002 20 0 FGADHM Cn1c(C(=O)OCc2ccccc2-c2nnn[n-]2)ccc1-c1ccccc1 ZINC000822596904 599621920 /nfs/dbraw/zinc/62/19/20/599621920.db2.gz YODQZQSVTLXAOZ-UHFFFAOYSA-N -1 3 359.389 3.229 20 0 FGADHM Cn1c(C(=O)OCc2ccccc2-c2nn[n-]n2)ccc1-c1ccccc1 ZINC000822596904 599621921 /nfs/dbraw/zinc/62/19/21/599621921.db2.gz YODQZQSVTLXAOZ-UHFFFAOYSA-N -1 3 359.389 3.229 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[C@H]1SCCc2ccccc21 ZINC000823303643 599629973 /nfs/dbraw/zinc/62/99/73/599629973.db2.gz PMGVZKZVMZLSKU-HNNXBMFYSA-N -1 3 371.853 3.489 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)[C@H]1SCCc2ccccc21 ZINC000823303643 599629974 /nfs/dbraw/zinc/62/99/74/599629974.db2.gz PMGVZKZVMZLSKU-HNNXBMFYSA-N -1 3 371.853 3.489 20 0 FGADHM CC(=CC(=O)Nc1ccc(-c2nnn[n-]2)cn1)c1cccc(C(F)(F)F)c1 ZINC000819765992 599631225 /nfs/dbraw/zinc/63/12/25/599631225.db2.gz UBZPHUJRGGKDGX-JXMROGBWSA-N -1 3 374.326 3.323 20 0 FGADHM CC(=CC(=O)Nc1ccc(-c2nn[n-]n2)cn1)c1cccc(C(F)(F)F)c1 ZINC000819765992 599631226 /nfs/dbraw/zinc/63/12/26/599631226.db2.gz UBZPHUJRGGKDGX-JXMROGBWSA-N -1 3 374.326 3.323 20 0 FGADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)Nc1cc(-c2ccccc2)ns1 ZINC000823078456 599631643 /nfs/dbraw/zinc/63/16/43/599631643.db2.gz NPAGCAFKIKAGFV-UHFFFAOYSA-N -1 3 362.418 3.171 20 0 FGADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)Nc1cc(-c2ccccc2)ns1 ZINC000823078456 599631644 /nfs/dbraw/zinc/63/16/44/599631644.db2.gz NPAGCAFKIKAGFV-UHFFFAOYSA-N -1 3 362.418 3.171 20 0 FGADHM Cc1ccc2c(CCC(=O)N(C)Cc3cccc(-c4nnn[n-]4)c3)c[nH]c2c1 ZINC000822275349 599648373 /nfs/dbraw/zinc/64/83/73/599648373.db2.gz RFVXCKLTXNJUMQ-UHFFFAOYSA-N -1 3 374.448 3.248 20 0 FGADHM Cc1ccc2c(CCC(=O)N(C)Cc3cccc(-c4nn[n-]n4)c3)c[nH]c2c1 ZINC000822275349 599648374 /nfs/dbraw/zinc/64/83/74/599648374.db2.gz RFVXCKLTXNJUMQ-UHFFFAOYSA-N -1 3 374.448 3.248 20 0 FGADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccncc1Cl ZINC000820086657 599649235 /nfs/dbraw/zinc/64/92/35/599649235.db2.gz DFJHDPKZJSRJAS-UHFFFAOYSA-N -1 3 370.844 3.214 20 0 FGADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccncc1Cl ZINC000820086657 599649236 /nfs/dbraw/zinc/64/92/36/599649236.db2.gz DFJHDPKZJSRJAS-UHFFFAOYSA-N -1 3 370.844 3.214 20 0 FGADHM CC(C)C[C@@H](C)CC(=O)OCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000820056145 599659867 /nfs/dbraw/zinc/65/98/67/599659867.db2.gz NBBUBPXNMWTGFE-GFCCVEGCSA-N -1 3 370.413 3.032 20 0 FGADHM CC(C)C[C@@H](C)CC(=O)OCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000820056145 599659868 /nfs/dbraw/zinc/65/98/68/599659868.db2.gz NBBUBPXNMWTGFE-GFCCVEGCSA-N -1 3 370.413 3.032 20 0 FGADHM CC[C@@H](CC(=O)OCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)C(C)C ZINC000820882584 599660543 /nfs/dbraw/zinc/66/05/43/599660543.db2.gz UQFUJQMBYXVDNA-LBPRGKRZSA-N -1 3 370.413 3.032 20 0 FGADHM CC[C@@H](CC(=O)OCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)C(C)C ZINC000820882584 599660544 /nfs/dbraw/zinc/66/05/44/599660544.db2.gz UQFUJQMBYXVDNA-LBPRGKRZSA-N -1 3 370.413 3.032 20 0 FGADHM CC[C@H]1C[C@@H](C)CN1C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820967229 599663960 /nfs/dbraw/zinc/66/39/60/599663960.db2.gz MCGMFHJZUVAZQZ-KOLCDFICSA-N -1 3 350.879 3.337 20 0 FGADHM CC[C@H]1C[C@@H](C)CN1C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820967229 599663961 /nfs/dbraw/zinc/66/39/61/599663961.db2.gz MCGMFHJZUVAZQZ-KOLCDFICSA-N -1 3 350.879 3.337 20 0 FGADHM CCCCC[C@@H](C)CC(=O)OCC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000821051000 599668372 /nfs/dbraw/zinc/66/83/72/599668372.db2.gz WMTSYXFDVIAMNV-LLVKDONJSA-N -1 3 365.459 3.016 20 0 FGADHM CCCCC[C@@H](C)CC(=O)OCC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000821051000 599668373 /nfs/dbraw/zinc/66/83/73/599668373.db2.gz WMTSYXFDVIAMNV-LLVKDONJSA-N -1 3 365.459 3.016 20 0 FGADHM C[C@H](CNc1ccc(-c2nn[n-]n2)cc1C(F)(F)F)CC1(C)OCCO1 ZINC000820275716 599685318 /nfs/dbraw/zinc/68/53/18/599685318.db2.gz QZUAJLCRZNXOSC-JTQLQIEISA-N -1 3 371.363 3.087 20 0 FGADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)cc1C(F)(F)F)CC1(C)OCCO1 ZINC000820275721 599685555 /nfs/dbraw/zinc/68/55/55/599685555.db2.gz QZUAJLCRZNXOSC-SNVBAGLBSA-N -1 3 371.363 3.087 20 0 FGADHM C[C@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)c1cccc(-n2cccn2)c1 ZINC000820461077 599687197 /nfs/dbraw/zinc/68/71/97/599687197.db2.gz DWIXVEUWKQWFOZ-NSHDSACASA-N -1 3 366.816 3.274 20 0 FGADHM C[C@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)c1cccc(-n2cccn2)c1 ZINC000820461077 599687198 /nfs/dbraw/zinc/68/71/98/599687198.db2.gz DWIXVEUWKQWFOZ-NSHDSACASA-N -1 3 366.816 3.274 20 0 FGADHM CO[C@@H](CNc1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21)C(C)(C)C ZINC000821677182 599687313 /nfs/dbraw/zinc/68/73/13/599687313.db2.gz QMHKZEARTTXEPA-ZDUSSCGKSA-N -1 3 362.384 3.166 20 0 FGADHM CO[C@@H](CNc1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21)C(C)(C)C ZINC000821677182 599687314 /nfs/dbraw/zinc/68/73/14/599687314.db2.gz QMHKZEARTTXEPA-ZDUSSCGKSA-N -1 3 362.384 3.166 20 0 FGADHM CC[C@@H]1Oc2cc([C@@H](C)Nc3ccc(-c4nn[n-]n4)cc3)ccc2NC1=O ZINC000821001915 599689111 /nfs/dbraw/zinc/68/91/11/599689111.db2.gz TUDQBNQLVNODBE-BZNIZROVSA-N -1 3 364.409 3.149 20 0 FGADHM CC(C)c1cc(C(=O)Nc2ccccc2-c2nnn[n-]2)nn1-c1ccccc1 ZINC000820187896 607391962 /nfs/dbraw/zinc/39/19/62/607391962.db2.gz YBOFQFULMIQZKT-UHFFFAOYSA-N -1 3 373.420 3.428 20 0 FGADHM CC(C)c1cc(C(=O)Nc2ccccc2-c2nn[n-]n2)nn1-c1ccccc1 ZINC000820187896 607391964 /nfs/dbraw/zinc/39/19/64/607391964.db2.gz YBOFQFULMIQZKT-UHFFFAOYSA-N -1 3 373.420 3.428 20 0 FGADHM Cc1cncc(C=CC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)c1 ZINC000822399775 607392758 /nfs/dbraw/zinc/39/27/58/607392758.db2.gz MQVVJDHGHKDFHL-TWGQIWQCSA-N -1 3 362.437 3.021 20 0 FGADHM Cc1cncc(C=CC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)c1 ZINC000822399775 607392760 /nfs/dbraw/zinc/39/27/60/607392760.db2.gz MQVVJDHGHKDFHL-TWGQIWQCSA-N -1 3 362.437 3.021 20 0 FGADHM CC(C)(C)OC(=O)N1CCC(N(Cc2cc(C(=O)[O-])co2)C2CC2)CC1 ZINC000736272422 599849887 /nfs/dbraw/zinc/84/98/87/599849887.db2.gz GQCZIMXXFWYZMX-UHFFFAOYSA-N -1 3 364.442 3.342 20 0 FGADHM CCCOc1ccc(Br)cc1CN[C@@H]1CCCN(C(=O)[O-])C1 ZINC000737031511 599859830 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CN(C)c1cc(CN[C@@H](C(=O)[O-])c2ccccc2F)c2ccccc2n1 ZINC000830631554 600762217 /nfs/dbraw/zinc/76/22/17/600762217.db2.gz OBYNTLHDBPSWKO-LJQANCHMSA-N -1 3 353.397 3.355 20 0 FGADHM O=C([O-])[C@@H]1CCC[C@@H](C(=O)NC[C@H]2CCCCN2Cc2ccccc2)C1 ZINC000379638941 600836867 /nfs/dbraw/zinc/83/68/67/600836867.db2.gz VBIDWRAYVUEIKN-GUDVDZBRSA-N -1 3 358.482 3.048 20 0 FGADHM C[C@@H]1C[C@H](c2ccccc2F)N(C[C@@H](O)COc2ccc(C(=O)[O-])cc2)C1 ZINC000828191995 600840797 /nfs/dbraw/zinc/84/07/97/600840797.db2.gz IUKCADWFBVSSCV-AKCHCHLHSA-N -1 3 373.424 3.347 20 0 FGADHM Cc1[nH]c(C(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)c(C)c1C(=O)[O-] ZINC000832843515 600961748 /nfs/dbraw/zinc/96/17/48/600961748.db2.gz OHSLNUZJUCURIN-AWEZNQCLSA-N -1 3 369.465 3.066 20 0 FGADHM O=C([O-])[C@H](c1ccccc1F)N1CCC(NC(=O)CC2CCCC2)CC1 ZINC000833094617 601006987 /nfs/dbraw/zinc/00/69/87/601006987.db2.gz YMUYMWOVQFOYAU-IBGZPJMESA-N -1 3 362.445 3.112 20 0 FGADHM Cc1oc(C(=O)[O-])cc1CN(C)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000833024725 601309152 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COc1ccc(-c2nn[n-]n2)cc1CN1CCCC[C@@H]1c1nc(C)cs1 ZINC000826183563 607524635 /nfs/dbraw/zinc/52/46/35/607524635.db2.gz SVGRPHBGVPQZGE-OAHLLOKOSA-N -1 3 370.482 3.367 20 0 FGADHM C[C@@H]1C[C@H](NC(=O)Nc2cccc(C(=O)[O-])c2)CN1Cc1ccccc1 ZINC000398231267 601882138 /nfs/dbraw/zinc/88/21/38/601882138.db2.gz ZUQSTAQBNCAPOG-KDOFPFPSSA-N -1 3 353.422 3.169 20 0 FGADHM O=C([O-])NC[C@H]1CCN(Cc2c(-c3ccccc3)nc3sccn23)C1 ZINC000740640574 601955932 /nfs/dbraw/zinc/95/59/32/601955932.db2.gz ADWMESCDDXKLEH-CYBMUJFWSA-N -1 3 356.451 3.152 20 0 FGADHM O=C([O-])Nc1ccc(F)c(NC(=O)[C@H]2CCCN(Cc3cccnc3)C2)c1 ZINC000740705714 602026545 /nfs/dbraw/zinc/02/65/45/602026545.db2.gz UCQWVFWYRRUNMZ-AWEZNQCLSA-N -1 3 372.400 3.161 20 0 FGADHM COc1ccc(CNC(=O)CC[C@H](C)c2ccccc2)cc1-c1nnn[n-]1 ZINC000826196892 607540947 /nfs/dbraw/zinc/54/09/47/607540947.db2.gz RNUJYQOCPRLIHC-AWEZNQCLSA-N -1 3 365.437 3.075 20 0 FGADHM COc1ccc(CNC(=O)CC[C@H](C)c2ccccc2)cc1-c1nn[n-]n1 ZINC000826196892 607540950 /nfs/dbraw/zinc/54/09/50/607540950.db2.gz RNUJYQOCPRLIHC-AWEZNQCLSA-N -1 3 365.437 3.075 20 0 FGADHM CC[C@@H]1CN2CCCC[C@@H]2CN1C(=O)NCCCCCCCC(=O)[O-] ZINC000829160687 602094790 /nfs/dbraw/zinc/09/47/90/602094790.db2.gz JBQUHZPFTIYLNA-IAGOWNOFSA-N -1 3 353.507 3.070 20 0 FGADHM COc1ccc(CNC(=O)CC[C@@H](C)c2ccccc2)cc1-c1nnn[n-]1 ZINC000826196893 607541125 /nfs/dbraw/zinc/54/11/25/607541125.db2.gz RNUJYQOCPRLIHC-CQSZACIVSA-N -1 3 365.437 3.075 20 0 FGADHM COc1ccc(CNC(=O)CC[C@@H](C)c2ccccc2)cc1-c1nn[n-]n1 ZINC000826196893 607541126 /nfs/dbraw/zinc/54/11/26/607541126.db2.gz RNUJYQOCPRLIHC-CQSZACIVSA-N -1 3 365.437 3.075 20 0 FGADHM COc1cc(OC)cc([C@H](NCc2ccc(F)c(Cl)c2)C(=O)[O-])c1 ZINC000832056871 602170223 /nfs/dbraw/zinc/17/02/23/602170223.db2.gz JLDBUWQNPIODNV-INIZCTEOSA-N -1 3 353.777 3.412 20 0 FGADHM C[C@H](CCC(=O)OCC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000824400133 607552918 /nfs/dbraw/zinc/55/29/18/607552918.db2.gz ANSTZGKIWJAJCM-CQSZACIVSA-N -1 3 364.405 3.177 20 0 FGADHM C[C@H](CCC(=O)OCC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000824400133 607552919 /nfs/dbraw/zinc/55/29/19/607552919.db2.gz ANSTZGKIWJAJCM-CQSZACIVSA-N -1 3 364.405 3.177 20 0 FGADHM Cc1nn(C)c(N(C)C)c1CNC[C@@H](NC(=O)[O-])c1ccc(C(C)C)cc1 ZINC000740245020 602335709 /nfs/dbraw/zinc/33/57/09/602335709.db2.gz DUTYLRYEPDVCJW-GOSISDBHSA-N -1 3 373.501 3.016 20 0 FGADHM CN(C)[C@H]1Cc2ccccc2N(C(=O)c2ccc(F)c(NC(=O)[O-])c2)C1 ZINC000739602486 602695883 /nfs/dbraw/zinc/69/58/83/602695883.db2.gz BPOVXODKPDYVJN-AWEZNQCLSA-N -1 3 357.385 3.049 20 0 FGADHM CN1CCC(N(C(=O)c2ccc(CNC(=O)[O-])cc2)c2ccccc2)CC1 ZINC000739732315 602699586 /nfs/dbraw/zinc/69/95/86/602699586.db2.gz PRCIVHGCAIAZNZ-UHFFFAOYSA-N -1 3 367.449 3.195 20 0 FGADHM Cc1nn(-c2ccc(-c3nn[n-]n3)cc2)c(NC(=O)C2=C(C)CCC2)c1C ZINC000824852811 607587236 /nfs/dbraw/zinc/58/72/36/607587236.db2.gz SACOEUVUOWEXFM-UHFFFAOYSA-N -1 3 363.425 3.108 20 0 FGADHM O=C([O-])Nc1ccc(CNCCc2nc(-c3ccc(Cl)cc3)no2)cn1 ZINC000832842518 603550764 /nfs/dbraw/zinc/55/07/64/603550764.db2.gz ZPAZBZHXHHGTLW-UHFFFAOYSA-N -1 3 373.800 3.207 20 0 FGADHM CCN(CC(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1)c1cc(C)cc(C)c1 ZINC000825399208 607641771 /nfs/dbraw/zinc/64/17/71/607641771.db2.gz MHQZJPGXYJHQLQ-UHFFFAOYSA-N -1 3 368.441 3.158 20 0 FGADHM Cc1ccc(NC(=S)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)cc1F ZINC000826291678 607648485 /nfs/dbraw/zinc/64/84/85/607648485.db2.gz QKZCIOOWUUUJEG-UHFFFAOYSA-N -1 3 368.441 3.290 20 0 FGADHM Cc1ccc(NC(=S)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)cc1F ZINC000826291678 607648487 /nfs/dbraw/zinc/64/84/87/607648487.db2.gz QKZCIOOWUUUJEG-UHFFFAOYSA-N -1 3 368.441 3.290 20 0 FGADHM CC(C)[C@H](NC(=O)CN(C)C1CCC(NC(=O)[O-])CC1)c1ccccc1 ZINC000824129532 603780816 /nfs/dbraw/zinc/78/08/16/603780816.db2.gz QJZQUSWXFGXVIH-TVPLGVNVSA-N -1 3 361.486 3.011 20 0 FGADHM CCn1c2ccccc2nc1SCC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825796276 607654278 /nfs/dbraw/zinc/65/42/78/607654278.db2.gz BFEQSNYBNVLNSS-UHFFFAOYSA-N -1 3 364.434 3.211 20 0 FGADHM CCn1c2ccccc2nc1SCC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825796276 607654280 /nfs/dbraw/zinc/65/42/80/607654280.db2.gz BFEQSNYBNVLNSS-UHFFFAOYSA-N -1 3 364.434 3.211 20 0 FGADHM O=C([O-])N[C@@H](CNCc1cnc(-c2ccncc2)s1)c1ccccc1 ZINC000832141473 603902674 /nfs/dbraw/zinc/90/26/74/603902674.db2.gz SDKRJFWHKDJHCR-INIZCTEOSA-N -1 3 354.435 3.304 20 0 FGADHM O=C(NCc1cccc(-c2ccccn2)c1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000826442363 607674144 /nfs/dbraw/zinc/67/41/44/607674144.db2.gz SFQUMDJBFPEKCK-UHFFFAOYSA-N -1 3 371.404 3.250 20 0 FGADHM O=C(NCc1cccc(-c2ccccn2)c1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000826442363 607674146 /nfs/dbraw/zinc/67/41/46/607674146.db2.gz SFQUMDJBFPEKCK-UHFFFAOYSA-N -1 3 371.404 3.250 20 0 FGADHM CC[C@@H](C)OCC(=O)Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000825075873 607687476 /nfs/dbraw/zinc/68/74/76/607687476.db2.gz RYQFGCISQCPRMB-CYBMUJFWSA-N -1 3 352.394 3.254 20 0 FGADHM CC[C@@H](C)OCC(=O)Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825075873 607687478 /nfs/dbraw/zinc/68/74/78/607687478.db2.gz RYQFGCISQCPRMB-CYBMUJFWSA-N -1 3 352.394 3.254 20 0 FGADHM O=S(=O)(Cc1cccc(-c2nnn[n-]2)c1)[C@H]1CCc2c1cccc2Cl ZINC000826486711 607692309 /nfs/dbraw/zinc/69/23/09/607692309.db2.gz NXXZOHGYZOXVHO-INIZCTEOSA-N -1 3 374.853 3.122 20 0 FGADHM O=S(=O)(Cc1cccc(-c2nn[n-]n2)c1)[C@H]1CCc2c1cccc2Cl ZINC000826486711 607692311 /nfs/dbraw/zinc/69/23/11/607692311.db2.gz NXXZOHGYZOXVHO-INIZCTEOSA-N -1 3 374.853 3.122 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000826246448 607694881 /nfs/dbraw/zinc/69/48/81/607694881.db2.gz DKCYIGVLQVZMNU-IUODEOHRSA-N -1 3 371.803 3.254 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000826246448 607694882 /nfs/dbraw/zinc/69/48/82/607694882.db2.gz DKCYIGVLQVZMNU-IUODEOHRSA-N -1 3 371.803 3.254 20 0 FGADHM CN(C)CCN(Cc1cccc(F)c1)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000830609172 604500121 /nfs/dbraw/zinc/50/01/21/604500121.db2.gz WXIPPWCKOVVTCM-UHFFFAOYSA-N -1 3 365.430 3.181 20 0 FGADHM O=C([O-])c1csc(NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000833151107 604500769 /nfs/dbraw/zinc/50/07/69/604500769.db2.gz MZZKCZSLELBYLS-OAHLLOKOSA-N -1 3 359.451 3.232 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@H](C)c1c(F)cccc1Cl ZINC000826246474 607700544 /nfs/dbraw/zinc/70/05/44/607700544.db2.gz DUWHNORBVXVTFU-SNVBAGLBSA-N -1 3 359.792 3.459 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@H](C)c1c(F)cccc1Cl ZINC000826246474 607700546 /nfs/dbraw/zinc/70/05/46/607700546.db2.gz DUWHNORBVXVTFU-SNVBAGLBSA-N -1 3 359.792 3.459 20 0 FGADHM CC(C)CSCCCOC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000824275439 607708303 /nfs/dbraw/zinc/70/83/03/607708303.db2.gz SOSSPQZHQPLYFG-UHFFFAOYSA-N -1 3 356.398 3.081 20 0 FGADHM CC(C)CSCCCOC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000824275439 607708305 /nfs/dbraw/zinc/70/83/05/607708305.db2.gz SOSSPQZHQPLYFG-UHFFFAOYSA-N -1 3 356.398 3.081 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccc2c(cnn2C(F)F)c1 ZINC000826249919 607711719 /nfs/dbraw/zinc/71/17/19/607711719.db2.gz BGDSZZVCIKKXOH-UHFFFAOYSA-N -1 3 369.335 3.172 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccc2c(cnn2C(F)F)c1 ZINC000826249919 607711722 /nfs/dbraw/zinc/71/17/22/607711722.db2.gz BGDSZZVCIKKXOH-UHFFFAOYSA-N -1 3 369.335 3.172 20 0 FGADHM CN(C)Cc1cccc(NC(=O)N2CCc3ccc(C(=O)[O-])cc3C2)c1 ZINC000833689645 604802558 /nfs/dbraw/zinc/80/25/58/604802558.db2.gz MIVLMRGAJQRHSS-UHFFFAOYSA-N -1 3 353.422 3.037 20 0 FGADHM O=C([O-])c1ccc(C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)cc1F ZINC000833141536 604815794 /nfs/dbraw/zinc/81/57/94/604815794.db2.gz VWFQYBNJSBHIJA-KRWDZBQOSA-N -1 3 370.424 3.308 20 0 FGADHM CC(C)CCOc1ccc([C@@H](C)NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)cc1 ZINC000824249169 607718827 /nfs/dbraw/zinc/71/88/27/607718827.db2.gz JHTBTRCSGUOBNP-CYBMUJFWSA-N -1 3 368.441 3.111 20 0 FGADHM CC(C)CCOc1ccc([C@@H](C)NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)cc1 ZINC000824249169 607718829 /nfs/dbraw/zinc/71/88/29/607718829.db2.gz JHTBTRCSGUOBNP-CYBMUJFWSA-N -1 3 368.441 3.111 20 0 FGADHM CC(C)Cc1ccc([C@@H](C)N[C@@H](C)C(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC000833495179 604915432 /nfs/dbraw/zinc/91/54/32/604915432.db2.gz WJRGXGBTHGGVEO-CVEARBPZSA-N -1 3 360.498 3.247 20 0 FGADHM CC(C)(C(=O)[O-])[C@H]1CCCN([C@@H]2CCN(c3cccc(Cl)c3)C2=O)C1 ZINC000833417834 604942603 /nfs/dbraw/zinc/94/26/03/604942603.db2.gz YUZLTWIQUQUZCY-XJKSGUPXSA-N -1 3 364.873 3.268 20 0 FGADHM CC(C)(C(=O)[O-])[C@@H]1CCCN([C@H]2CCCN(c3ccccc3F)C2=O)C1 ZINC000833417287 604945314 /nfs/dbraw/zinc/94/53/14/604945314.db2.gz OMMDRAVFMSLZNW-PBHICJAKSA-N -1 3 362.445 3.144 20 0 FGADHM Cc1ccc([C@H](CNC(=O)c2ccc(C(=O)[O-])c(F)c2)N2CCCC2)cc1 ZINC000832923135 604966177 /nfs/dbraw/zinc/96/61/77/604966177.db2.gz JLLVNSMDLOZLKG-IBGZPJMESA-N -1 3 370.424 3.399 20 0 FGADHM CCSc1ccc(CC(=O)OCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000825674764 607728315 /nfs/dbraw/zinc/72/83/15/607728315.db2.gz RPCVTYSCGKJYIA-UHFFFAOYSA-N -1 3 372.425 3.404 20 0 FGADHM CCSc1ccc(CC(=O)OCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000825674764 607728317 /nfs/dbraw/zinc/72/83/17/607728317.db2.gz RPCVTYSCGKJYIA-UHFFFAOYSA-N -1 3 372.425 3.404 20 0 FGADHM C[C@@H](C[C@H](O)c1cccs1)Nc1c(F)cc(-c2nnn[n-]2)cc1F ZINC000824390399 607732643 /nfs/dbraw/zinc/73/26/43/607732643.db2.gz AEACFYUCXBCYEM-UFBFGSQYSA-N -1 3 351.382 3.131 20 0 FGADHM C[C@@H](C[C@H](O)c1cccs1)Nc1c(F)cc(-c2nn[n-]n2)cc1F ZINC000824390399 607732645 /nfs/dbraw/zinc/73/26/45/607732645.db2.gz AEACFYUCXBCYEM-UFBFGSQYSA-N -1 3 351.382 3.131 20 0 FGADHM O[C@H](c1ccccc1)C1(CNc2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000826505002 607735412 /nfs/dbraw/zinc/73/54/12/607735412.db2.gz KDWCZJYQGPNDRF-MRXNPFEDSA-N -1 3 355.829 3.446 20 0 FGADHM O[C@H](c1ccccc1)C1(CNc2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000826505002 607735413 /nfs/dbraw/zinc/73/54/13/607735413.db2.gz KDWCZJYQGPNDRF-MRXNPFEDSA-N -1 3 355.829 3.446 20 0 FGADHM CN1CC[C@H](NCc2ccc(C(=O)[O-])o2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000833697636 605121336 /nfs/dbraw/zinc/12/13/36/605121336.db2.gz HMGBHOIYCNVMGM-HOCLYGCPSA-N -1 3 352.793 3.305 20 0 FGADHM CC(C)(C)c1ccc(C(C)(C)NCC(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC000833450173 605126910 /nfs/dbraw/zinc/12/69/10/605126910.db2.gz IJVBJRYMCMLQMR-UHFFFAOYSA-N -1 3 360.498 3.132 20 0 FGADHM Fc1ccc(N2CC[C@@H](Oc3ccccc3Cl)C2)c(-c2nnn[n-]2)c1 ZINC000826375608 607737521 /nfs/dbraw/zinc/73/75/21/607737521.db2.gz UTLKFBPTCLNZBY-GFCCVEGCSA-N -1 3 359.792 3.317 20 0 FGADHM Fc1ccc(N2CC[C@@H](Oc3ccccc3Cl)C2)c(-c2nn[n-]n2)c1 ZINC000826375608 607737522 /nfs/dbraw/zinc/73/75/22/607737522.db2.gz UTLKFBPTCLNZBY-GFCCVEGCSA-N -1 3 359.792 3.317 20 0 FGADHM CCOc1cc(Cl)ccc1CNCc1ccc(-c2nnn[n-]2)cc1F ZINC000825616189 607752843 /nfs/dbraw/zinc/75/28/43/607752843.db2.gz ZIBHAZRVRGKSKR-UHFFFAOYSA-N -1 3 361.808 3.348 20 0 FGADHM CCOc1cc(Cl)ccc1CNCc1ccc(-c2nn[n-]n2)cc1F ZINC000825616189 607752844 /nfs/dbraw/zinc/75/28/44/607752844.db2.gz ZIBHAZRVRGKSKR-UHFFFAOYSA-N -1 3 361.808 3.348 20 0 FGADHM CC(C)[C@@H](N[C@H](C)C[C@@H]1CCCN1C(=O)[O-])c1nc(-c2ccncc2)no1 ZINC000824768788 605497504 /nfs/dbraw/zinc/49/75/04/605497504.db2.gz QIMWDYAWTMPEPX-VNQPRFMTSA-N -1 3 373.457 3.339 20 0 FGADHM Cc1nn(Cc2ccccc2)c(C)c1CN(C)C1CCN(C(=O)[O-])CC1 ZINC000833920259 605532292 /nfs/dbraw/zinc/53/22/92/605532292.db2.gz HNPIPTVWWIYVLA-UHFFFAOYSA-N -1 3 356.470 3.122 20 0 FGADHM CC(C)C[C@H](C)NC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000824230096 607763310 /nfs/dbraw/zinc/76/33/10/607763310.db2.gz ZOBZXIKJEQTJMJ-ZDUSSCGKSA-N -1 3 369.425 3.203 20 0 FGADHM CC(C)C[C@H](C)NC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000824230096 607763311 /nfs/dbraw/zinc/76/33/11/607763311.db2.gz ZOBZXIKJEQTJMJ-ZDUSSCGKSA-N -1 3 369.425 3.203 20 0 FGADHM COc1ccc(CN(C)C)cc1NC(=O)C[C@@H](NC(=O)[O-])c1ccccc1 ZINC000829361214 605585075 /nfs/dbraw/zinc/58/50/75/605585075.db2.gz CPEPGTCBLVOLLL-MRXNPFEDSA-N -1 3 371.437 3.094 20 0 FGADHM CC(C)(C)c1ccc(C(C)(C)NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)cc1 ZINC000824136375 607764605 /nfs/dbraw/zinc/76/46/05/607764605.db2.gz OSVGHIRXNIMMEC-UHFFFAOYSA-N -1 3 352.442 3.157 20 0 FGADHM CC(C)(C)c1ccc(C(C)(C)NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)cc1 ZINC000824136375 607764606 /nfs/dbraw/zinc/76/46/06/607764606.db2.gz OSVGHIRXNIMMEC-UHFFFAOYSA-N -1 3 352.442 3.157 20 0 FGADHM O=C([O-])NC1CCC(NCc2nccn2CCCc2ccccc2)CC1 ZINC000834164376 605626419 /nfs/dbraw/zinc/62/64/19/605626419.db2.gz VPRKZFMAZDJNOQ-UHFFFAOYSA-N -1 3 356.470 3.184 20 0 FGADHM Cc1cc(C(=O)N2C[C@H](CN(C)C)Oc3ccccc32)ccc1NC(=O)[O-] ZINC000829919460 605713396 /nfs/dbraw/zinc/71/33/96/605713396.db2.gz LAFNHJRXULOWRA-HNNXBMFYSA-N -1 3 369.421 3.054 20 0 FGADHM O=C([O-])NCc1ccc(C(=O)OCC2CCN(Cc3ccco3)CC2)cc1 ZINC000834248217 605827730 /nfs/dbraw/zinc/82/77/30/605827730.db2.gz BSRMEBKHCNZICV-UHFFFAOYSA-N -1 3 372.421 3.116 20 0 FGADHM Cc1nc(C)n(C[C@H]2CCCN(Cc3cc(C(=O)[O-])ccc3Cl)C2)n1 ZINC000833755340 605833170 /nfs/dbraw/zinc/83/31/70/605833170.db2.gz JSNYEMAIAQYODU-AWEZNQCLSA-N -1 3 362.861 3.159 20 0 FGADHM COc1cc(-c2ccccc2)ccc1CN1CCC([C@@H](O)C(=O)[O-])CC1 ZINC000833727058 605891426 /nfs/dbraw/zinc/89/14/26/605891426.db2.gz KTMNGOBANPDBJJ-HXUWFJFHSA-N -1 3 355.434 3.020 20 0 FGADHM O=C1[C@H](Sc2ccccc2-c2nnn[n-]2)CCN1c1cccc(Cl)c1 ZINC000823512590 606022709 /nfs/dbraw/zinc/02/27/09/606022709.db2.gz PARCSKZGUPYOSF-OAHLLOKOSA-N -1 3 371.853 3.418 20 0 FGADHM O=C1[C@H](Sc2ccccc2-c2nn[n-]n2)CCN1c1cccc(Cl)c1 ZINC000823512590 606022711 /nfs/dbraw/zinc/02/27/11/606022711.db2.gz PARCSKZGUPYOSF-OAHLLOKOSA-N -1 3 371.853 3.418 20 0 FGADHM Cc1ccc2[nH]cc(CCC(=O)N[C@H](C)c3cccc(-c4nnn[n-]4)c3)c2c1 ZINC000822275375 606026942 /nfs/dbraw/zinc/02/69/42/606026942.db2.gz SEJQLWDZUWLOIX-CQSZACIVSA-N -1 3 374.448 3.466 20 0 FGADHM Cc1ccc2[nH]cc(CCC(=O)N[C@H](C)c3cccc(-c4nn[n-]n4)c3)c2c1 ZINC000822275375 606026946 /nfs/dbraw/zinc/02/69/46/606026946.db2.gz SEJQLWDZUWLOIX-CQSZACIVSA-N -1 3 374.448 3.466 20 0 FGADHM c1ccc2sc([C@H]3CCCN(c4ccc(-c5nnn[n-]5)nc4)C3)nc2c1 ZINC000823801861 606027346 /nfs/dbraw/zinc/02/73/46/606027346.db2.gz CYFCQDYBVJBLMU-LBPRGKRZSA-N -1 3 363.450 3.255 20 0 FGADHM c1ccc2sc([C@H]3CCCN(c4ccc(-c5nn[n-]n5)nc4)C3)nc2c1 ZINC000823801861 606027351 /nfs/dbraw/zinc/02/73/51/606027351.db2.gz CYFCQDYBVJBLMU-LBPRGKRZSA-N -1 3 363.450 3.255 20 0 FGADHM C[C@@H]1CCN(C(=O)c2cccc(-c3nnn[n-]3)c2)[C@H]1c1cccc(F)c1 ZINC000820716584 606110007 /nfs/dbraw/zinc/11/00/07/606110007.db2.gz JVBKIWUWXGHZGL-SJKOYZFVSA-N -1 3 351.385 3.229 20 0 FGADHM C[C@@H]1CCN(C(=O)c2cccc(-c3nn[n-]n3)c2)[C@H]1c1cccc(F)c1 ZINC000820716584 606110009 /nfs/dbraw/zinc/11/00/09/606110009.db2.gz JVBKIWUWXGHZGL-SJKOYZFVSA-N -1 3 351.385 3.229 20 0 FGADHM CCN(C(=O)c1cc(OC)cs1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821160437 606121867 /nfs/dbraw/zinc/12/18/67/606121867.db2.gz KTTDNIIJBSFIJH-NSHDSACASA-N -1 3 357.439 3.160 20 0 FGADHM CCN(C(=O)c1cc(OC)cs1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821160437 606121869 /nfs/dbraw/zinc/12/18/69/606121869.db2.gz KTTDNIIJBSFIJH-NSHDSACASA-N -1 3 357.439 3.160 20 0 FGADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)[C@H](C)C1CCCC1 ZINC000821699608 606123375 /nfs/dbraw/zinc/12/33/75/606123375.db2.gz WLVFLGPBPNDIOG-SECBINFHSA-N -1 3 350.806 3.260 20 0 FGADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)[C@H](C)C1CCCC1 ZINC000821699608 606123376 /nfs/dbraw/zinc/12/33/76/606123376.db2.gz WLVFLGPBPNDIOG-SECBINFHSA-N -1 3 350.806 3.260 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)OCc1csc2ccccc12 ZINC000823112377 606145871 /nfs/dbraw/zinc/14/58/71/606145871.db2.gz YRJGTFZVJWPLGF-UHFFFAOYSA-N -1 3 350.403 3.367 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)OCc1csc2ccccc12 ZINC000823112377 606145873 /nfs/dbraw/zinc/14/58/73/606145873.db2.gz YRJGTFZVJWPLGF-UHFFFAOYSA-N -1 3 350.403 3.367 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)C/C=C/c1ccc(F)cc1 ZINC000821389374 606174280 /nfs/dbraw/zinc/17/42/80/606174280.db2.gz KPQSKUXHNHHXHS-ONEGZZNKSA-N -1 3 368.368 3.413 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)C/C=C/c1ccc(F)cc1 ZINC000821389374 606174282 /nfs/dbraw/zinc/17/42/82/606174282.db2.gz KPQSKUXHNHHXHS-ONEGZZNKSA-N -1 3 368.368 3.413 20 0 FGADHM CO[C@@H](C)c1nc(C)c(C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000821675243 606180458 /nfs/dbraw/zinc/18/04/58/606180458.db2.gz HBLVYJAQUKCEKB-QWRGUYRKSA-N -1 3 373.438 3.257 20 0 FGADHM CO[C@@H](C)c1nc(C)c(C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000821675243 606180459 /nfs/dbraw/zinc/18/04/59/606180459.db2.gz HBLVYJAQUKCEKB-QWRGUYRKSA-N -1 3 373.438 3.257 20 0 FGADHM O=C(OCCOC1CCC1)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000823405929 606182806 /nfs/dbraw/zinc/18/28/06/606182806.db2.gz YDKDJYDIEVAPGQ-UHFFFAOYSA-N -1 3 364.405 3.260 20 0 FGADHM O=C(OCCOC1CCC1)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000823405929 606182807 /nfs/dbraw/zinc/18/28/07/606182807.db2.gz YDKDJYDIEVAPGQ-UHFFFAOYSA-N -1 3 364.405 3.260 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000821390289 606184911 /nfs/dbraw/zinc/18/49/11/606184911.db2.gz WYXGOXPHNQNIGO-YABSGUDNSA-N -1 3 362.817 3.260 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000821390289 606184913 /nfs/dbraw/zinc/18/49/13/606184913.db2.gz WYXGOXPHNQNIGO-YABSGUDNSA-N -1 3 362.817 3.260 20 0 FGADHM Cc1ccccc1[C@H](NC(=O)c1ccc(-c2nnn[n-]2)cn1)C(C)(C)C ZINC000822352132 606190571 /nfs/dbraw/zinc/19/05/71/606190571.db2.gz UWJRBJUODCOPOO-INIZCTEOSA-N -1 3 350.426 3.087 20 0 FGADHM Cc1ccccc1[C@H](NC(=O)c1ccc(-c2nn[n-]n2)cn1)C(C)(C)C ZINC000822352132 606190572 /nfs/dbraw/zinc/19/05/72/606190572.db2.gz UWJRBJUODCOPOO-INIZCTEOSA-N -1 3 350.426 3.087 20 0 FGADHM C[C@@H](c1ccc(Cl)cc1)N(C(=O)c1cc(-c2nnn[n-]2)cn1C)C1CC1 ZINC000820563806 606219640 /nfs/dbraw/zinc/21/96/40/606219640.db2.gz VMUCORMDRRGZII-NSHDSACASA-N -1 3 370.844 3.224 20 0 FGADHM C[C@@H](c1ccc(Cl)cc1)N(C(=O)c1cc(-c2nn[n-]n2)cn1C)C1CC1 ZINC000820563806 606219643 /nfs/dbraw/zinc/21/96/43/606219643.db2.gz VMUCORMDRRGZII-NSHDSACASA-N -1 3 370.844 3.224 20 0 FGADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1ccccc1SC(F)(F)F ZINC000822655622 606228394 /nfs/dbraw/zinc/22/83/94/606228394.db2.gz QEYPUIZQUMLELL-UHFFFAOYSA-N -1 3 368.344 3.069 20 0 FGADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1ccccc1SC(F)(F)F ZINC000822655622 606228395 /nfs/dbraw/zinc/22/83/95/606228395.db2.gz QEYPUIZQUMLELL-UHFFFAOYSA-N -1 3 368.344 3.069 20 0 FGADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1cccc(COc2ccccc2)c1 ZINC000822650295 606234805 /nfs/dbraw/zinc/23/48/05/606234805.db2.gz UNOIFPZQULGJJV-UHFFFAOYSA-N -1 3 374.404 3.037 20 0 FGADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1cccc(COc2ccccc2)c1 ZINC000822650295 606234806 /nfs/dbraw/zinc/23/48/06/606234806.db2.gz UNOIFPZQULGJJV-UHFFFAOYSA-N -1 3 374.404 3.037 20 0 FGADHM O=C(Nc1cccc(OCCc2ccccc2)c1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823368394 606260240 /nfs/dbraw/zinc/26/02/40/606260240.db2.gz WHVIJXQQXVZLRB-UHFFFAOYSA-N -1 3 374.404 3.069 20 0 FGADHM O=C(Nc1cccc(OCCc2ccccc2)c1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823368394 606260241 /nfs/dbraw/zinc/26/02/41/606260241.db2.gz WHVIJXQQXVZLRB-UHFFFAOYSA-N -1 3 374.404 3.069 20 0 FGADHM C[C@@H]1CCN(C(=O)c2ccc(Sc3ccccc3-c3nnn[n-]3)cc2)C1 ZINC000820715712 606266418 /nfs/dbraw/zinc/26/64/18/606266418.db2.gz DMPJSCLPHJXJKO-CYBMUJFWSA-N -1 3 365.462 3.500 20 0 FGADHM C[C@@H]1CCN(C(=O)c2ccc(Sc3ccccc3-c3nn[n-]n3)cc2)C1 ZINC000820715712 606266419 /nfs/dbraw/zinc/26/64/19/606266419.db2.gz DMPJSCLPHJXJKO-CYBMUJFWSA-N -1 3 365.462 3.500 20 0 FGADHM Cc1nc(-c2ccco2)ccc1C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000822424631 606268910 /nfs/dbraw/zinc/26/89/10/606268910.db2.gz XYUQRXBZQAWVBF-UHFFFAOYSA-N -1 3 364.340 3.222 20 0 FGADHM Cc1nc(-c2ccco2)ccc1C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000822424631 606268912 /nfs/dbraw/zinc/26/89/12/606268912.db2.gz XYUQRXBZQAWVBF-UHFFFAOYSA-N -1 3 364.340 3.222 20 0 FGADHM C[C@H](C(=O)Nc1ccc(F)cc1-c1nnn[n-]1)c1ccc(Cl)s1 ZINC000819866486 606271285 /nfs/dbraw/zinc/27/12/85/606271285.db2.gz NMHOBUXEDJBQOY-ZETCQYMHSA-N -1 3 351.794 3.463 20 0 FGADHM C[C@H](C(=O)Nc1ccc(F)cc1-c1nn[n-]n1)c1ccc(Cl)s1 ZINC000819866486 606271288 /nfs/dbraw/zinc/27/12/88/606271288.db2.gz NMHOBUXEDJBQOY-ZETCQYMHSA-N -1 3 351.794 3.463 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H](C)c1ccc(C)o1 ZINC000821117902 606281393 /nfs/dbraw/zinc/28/13/93/606281393.db2.gz CQVCKRMQYILNFR-GFCCVEGCSA-N -1 3 354.414 3.332 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)C[C@@H](C)c1cccnc1 ZINC000821118405 606282585 /nfs/dbraw/zinc/28/25/85/606282585.db2.gz MELXBXMIKZNUFS-CYBMUJFWSA-N -1 3 365.441 3.216 20 0 FGADHM COC(=O)[C@H](Nc1cccc(C(C)C)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000821644796 606298696 /nfs/dbraw/zinc/29/86/96/606298696.db2.gz JKAGCASOCTVOAS-QGZVFWFLSA-N -1 3 351.410 3.316 20 0 FGADHM COC(=O)[C@H](Nc1cccc(C(C)C)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000821644796 606298698 /nfs/dbraw/zinc/29/86/98/606298698.db2.gz JKAGCASOCTVOAS-QGZVFWFLSA-N -1 3 351.410 3.316 20 0 FGADHM COC(=O)[C@H](N[C@H](C)c1ccc(C)cc1C)c1cccc(-c2nnn[n-]2)c1 ZINC000821640285 606301508 /nfs/dbraw/zinc/30/15/08/606301508.db2.gz FHUHMSNWZJNVDE-RDTXWAMCSA-N -1 3 365.437 3.048 20 0 FGADHM COC(=O)[C@H](N[C@H](C)c1ccc(C)cc1C)c1cccc(-c2nn[n-]n2)c1 ZINC000821640285 606301509 /nfs/dbraw/zinc/30/15/09/606301509.db2.gz FHUHMSNWZJNVDE-RDTXWAMCSA-N -1 3 365.437 3.048 20 0 FGADHM COC(=O)[C@H](N[C@@H](C)c1cc(C)cc(C)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000821640816 606304365 /nfs/dbraw/zinc/30/43/65/606304365.db2.gz PRRDTOFAFLIPGG-KBXCAEBGSA-N -1 3 365.437 3.048 20 0 FGADHM COC(=O)[C@H](N[C@@H](C)c1cc(C)cc(C)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000821640816 606304367 /nfs/dbraw/zinc/30/43/67/606304367.db2.gz PRRDTOFAFLIPGG-KBXCAEBGSA-N -1 3 365.437 3.048 20 0 FGADHM Cc1cccc(S[C@@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)c1 ZINC000822332294 606310630 /nfs/dbraw/zinc/31/06/30/606310630.db2.gz MXPDOEXAIAJYJE-CYBMUJFWSA-N -1 3 357.464 3.134 20 0 FGADHM Cc1cccc(S[C@@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)c1 ZINC000822332294 606310631 /nfs/dbraw/zinc/31/06/31/606310631.db2.gz MXPDOEXAIAJYJE-CYBMUJFWSA-N -1 3 357.464 3.134 20 0 FGADHM Cc1ccc(NC(=O)[C@H](C)Sc2cccc(-c3nnn[n-]3)c2)cc1F ZINC000822242504 606329402 /nfs/dbraw/zinc/32/94/02/606329402.db2.gz MYVSLRZJTDAQOS-NSHDSACASA-N -1 3 357.414 3.434 20 0 FGADHM Cc1ccc(NC(=O)[C@H](C)Sc2cccc(-c3nn[n-]n3)c2)cc1F ZINC000822242504 606329404 /nfs/dbraw/zinc/32/94/04/606329404.db2.gz MYVSLRZJTDAQOS-NSHDSACASA-N -1 3 357.414 3.434 20 0 FGADHM CCc1c(C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cnn1C(C)(C)C ZINC000821462311 606348361 /nfs/dbraw/zinc/34/83/61/606348361.db2.gz ZPSARVLCUQNEHV-GFCCVEGCSA-N -1 3 368.441 3.299 20 0 FGADHM CCc1c(C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cnn1C(C)(C)C ZINC000821462311 606348363 /nfs/dbraw/zinc/34/83/63/606348363.db2.gz ZPSARVLCUQNEHV-GFCCVEGCSA-N -1 3 368.441 3.299 20 0 FGADHM CCN(C(=O)Nc1ccc(F)cc1-c1nnn[n-]1)[C@@H](C)c1cccc(O)c1 ZINC000821153458 606350923 /nfs/dbraw/zinc/35/09/23/606350923.db2.gz CKWKNABTOJMYEO-NSHDSACASA-N -1 3 370.388 3.326 20 0 FGADHM CCN(C(=O)Nc1ccc(F)cc1-c1nn[n-]n1)[C@@H](C)c1cccc(O)c1 ZINC000821153458 606350924 /nfs/dbraw/zinc/35/09/24/606350924.db2.gz CKWKNABTOJMYEO-NSHDSACASA-N -1 3 370.388 3.326 20 0 FGADHM C[C@@H](OC(=O)[C@@H]1Cc2ccccc2S1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820486376 606352553 /nfs/dbraw/zinc/35/25/53/606352553.db2.gz ARYYBHBLDHVTLN-BZNIZROVSA-N -1 3 352.419 3.188 20 0 FGADHM C[C@@H](OC(=O)[C@@H]1Cc2ccccc2S1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820486376 606352554 /nfs/dbraw/zinc/35/25/54/606352554.db2.gz ARYYBHBLDHVTLN-BZNIZROVSA-N -1 3 352.419 3.188 20 0 FGADHM Cc1ccccc1C1(CNC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000822350997 606352660 /nfs/dbraw/zinc/35/26/60/606352660.db2.gz IYLYUOBYJCYZIJ-UHFFFAOYSA-N -1 3 366.400 3.168 20 0 FGADHM Cc1ccccc1C1(CNC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000822350997 606352662 /nfs/dbraw/zinc/35/26/62/606352662.db2.gz IYLYUOBYJCYZIJ-UHFFFAOYSA-N -1 3 366.400 3.168 20 0 FGADHM C[C@H](OC(=O)CCc1nc2ccccc2o1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820498041 606352862 /nfs/dbraw/zinc/35/28/62/606352862.db2.gz YJTKJGNYCBAAKF-LBPRGKRZSA-N -1 3 363.377 3.245 20 0 FGADHM C[C@H](OC(=O)CCc1nc2ccccc2o1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820498041 606352864 /nfs/dbraw/zinc/35/28/64/606352864.db2.gz YJTKJGNYCBAAKF-LBPRGKRZSA-N -1 3 363.377 3.245 20 0 FGADHM C[C@@H](OC(=O)CCc1nc2ccccc2o1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820498040 606353019 /nfs/dbraw/zinc/35/30/19/606353019.db2.gz YJTKJGNYCBAAKF-GFCCVEGCSA-N -1 3 363.377 3.245 20 0 FGADHM C[C@@H](OC(=O)CCc1nc2ccccc2o1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820498040 606353021 /nfs/dbraw/zinc/35/30/21/606353021.db2.gz YJTKJGNYCBAAKF-GFCCVEGCSA-N -1 3 363.377 3.245 20 0 FGADHM C[C@@H](OC(=O)CSc1ccc(F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820495280 606357622 /nfs/dbraw/zinc/35/76/22/606357622.db2.gz GLYAYNLMSIEGAU-LLVKDONJSA-N -1 3 358.398 3.402 20 0 FGADHM C[C@@H](OC(=O)CSc1ccc(F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820495280 606357624 /nfs/dbraw/zinc/35/76/24/606357624.db2.gz GLYAYNLMSIEGAU-LLVKDONJSA-N -1 3 358.398 3.402 20 0 FGADHM COc1ccc(CCC(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1F ZINC000821790216 606358151 /nfs/dbraw/zinc/35/81/51/606358151.db2.gz JSTRXNLEKUUPAK-LBPRGKRZSA-N -1 3 370.384 3.251 20 0 FGADHM COc1ccc(CCC(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000821790216 606358153 /nfs/dbraw/zinc/35/81/53/606358153.db2.gz JSTRXNLEKUUPAK-LBPRGKRZSA-N -1 3 370.384 3.251 20 0 FGADHM C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000820649102 606364258 /nfs/dbraw/zinc/36/42/58/606364258.db2.gz IMKJBBBPDXEIQC-DOMZBBRYSA-N -1 3 359.499 3.290 20 0 FGADHM C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000820649102 606364260 /nfs/dbraw/zinc/36/42/60/606364260.db2.gz IMKJBBBPDXEIQC-DOMZBBRYSA-N -1 3 359.499 3.290 20 0 FGADHM Cc1c(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)cnc2ccccc12 ZINC000822015394 606372497 /nfs/dbraw/zinc/37/24/97/606372497.db2.gz JBHSOZJSQAWPHJ-UHFFFAOYSA-N -1 3 362.368 3.139 20 0 FGADHM Cc1c(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)cnc2ccccc12 ZINC000822015394 606372499 /nfs/dbraw/zinc/37/24/99/606372499.db2.gz JBHSOZJSQAWPHJ-UHFFFAOYSA-N -1 3 362.368 3.139 20 0 FGADHM Fc1ccc(CNCc2ccc(-c3nnn[n-]3)s2)c(Br)c1 ZINC000822771194 606411784 /nfs/dbraw/zinc/41/17/84/606411784.db2.gz DRHBEBIUKHYMIY-UHFFFAOYSA-N -1 3 368.235 3.120 20 0 FGADHM c1cc(-c2nnn[n-]2)sc1CNCc1csc(-c2ccccc2)n1 ZINC000823766343 606414046 /nfs/dbraw/zinc/41/40/46/606414046.db2.gz ADZFKOBZNLSWKI-UHFFFAOYSA-N -1 3 354.464 3.342 20 0 FGADHM c1cc(-c2nn[n-]n2)sc1CNCc1csc(-c2ccccc2)n1 ZINC000823766343 606414048 /nfs/dbraw/zinc/41/40/48/606414048.db2.gz ADZFKOBZNLSWKI-UHFFFAOYSA-N -1 3 354.464 3.342 20 0 FGADHM Cc1ccc(O[C@H](C)C(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)cc1 ZINC000822259040 606415419 /nfs/dbraw/zinc/41/54/19/606415419.db2.gz KRCLPJLFWUJMIM-GFCCVEGCSA-N -1 3 371.828 3.259 20 0 FGADHM Cc1ccc(O[C@H](C)C(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)cc1 ZINC000822259040 606415422 /nfs/dbraw/zinc/41/54/22/606415422.db2.gz KRCLPJLFWUJMIM-GFCCVEGCSA-N -1 3 371.828 3.259 20 0 FGADHM CCC1(CNC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)CC(C)C)CC1 ZINC000820962749 606443223 /nfs/dbraw/zinc/44/32/23/606443223.db2.gz YRQDFQPFEHPYON-UHFFFAOYSA-N -1 3 356.474 3.225 20 0 FGADHM CCC1(CNC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)CC(C)C)CC1 ZINC000820962749 606443224 /nfs/dbraw/zinc/44/32/24/606443224.db2.gz YRQDFQPFEHPYON-UHFFFAOYSA-N -1 3 356.474 3.225 20 0 FGADHM CCOC(=O)c1cc(NCc2cccc(-c3nnn[n-]3)c2)ccc1Cl ZINC000821337728 606450238 /nfs/dbraw/zinc/45/02/38/606450238.db2.gz MSDPMUGAVNXTPD-UHFFFAOYSA-N -1 3 357.801 3.309 20 0 FGADHM CCOC(=O)c1cc(NCc2cccc(-c3nn[n-]n3)c2)ccc1Cl ZINC000821337728 606450240 /nfs/dbraw/zinc/45/02/40/606450240.db2.gz MSDPMUGAVNXTPD-UHFFFAOYSA-N -1 3 357.801 3.309 20 0 FGADHM O=C(c1ccc(-c2nnn[n-]2)cc1)N1CC=C(c2ccc(Cl)cc2)CC1 ZINC000823478433 606450834 /nfs/dbraw/zinc/45/08/34/606450834.db2.gz KTTLTPCLZXCXPS-UHFFFAOYSA-N -1 3 365.824 3.450 20 0 FGADHM O=C(c1ccc(-c2nn[n-]n2)cc1)N1CC=C(c2ccc(Cl)cc2)CC1 ZINC000823478433 606450837 /nfs/dbraw/zinc/45/08/37/606450837.db2.gz KTTLTPCLZXCXPS-UHFFFAOYSA-N -1 3 365.824 3.450 20 0 FGADHM C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)cs1)c1cccc(C(F)(F)F)c1 ZINC000820391149 606481279 /nfs/dbraw/zinc/48/12/79/606481279.db2.gz NVCBASNYRUHIHQ-MRVPVSSYSA-N -1 3 367.356 3.438 20 0 FGADHM C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)cs1)c1cccc(C(F)(F)F)c1 ZINC000820391149 606481281 /nfs/dbraw/zinc/48/12/81/606481281.db2.gz NVCBASNYRUHIHQ-MRVPVSSYSA-N -1 3 367.356 3.438 20 0 FGADHM CCCCc1ccc(N(C)CC(=O)Nc2sccc2-c2nnn[n-]2)cc1 ZINC000821077427 606513701 /nfs/dbraw/zinc/51/37/01/606513701.db2.gz FQRBHMQXUJHLJI-UHFFFAOYSA-N -1 3 370.482 3.346 20 0 FGADHM CCCCc1ccc(N(C)CC(=O)Nc2sccc2-c2nn[n-]n2)cc1 ZINC000821077427 606513703 /nfs/dbraw/zinc/51/37/03/606513703.db2.gz FQRBHMQXUJHLJI-UHFFFAOYSA-N -1 3 370.482 3.346 20 0 FGADHM CC(C)(C)C(=O)c1ccsc1NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000819899817 606513987 /nfs/dbraw/zinc/51/39/87/606513987.db2.gz ZTNXFQGWIJNOAE-UHFFFAOYSA-N -1 3 361.452 3.471 20 0 FGADHM CC(C)(C)C(=O)c1ccsc1NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000819899817 606513988 /nfs/dbraw/zinc/51/39/88/606513988.db2.gz ZTNXFQGWIJNOAE-UHFFFAOYSA-N -1 3 361.452 3.471 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N1CCC[C@H]1c1ccccc1Cl ZINC000823087285 606528263 /nfs/dbraw/zinc/52/82/63/606528263.db2.gz MZJKVHPZGHSYJE-KRWDZBQOSA-N -1 3 367.840 3.426 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N1CCC[C@H]1c1ccccc1Cl ZINC000823087285 606528264 /nfs/dbraw/zinc/52/82/64/606528264.db2.gz MZJKVHPZGHSYJE-KRWDZBQOSA-N -1 3 367.840 3.426 20 0 FGADHM O=C(NCCc1c[nH]c2cc(Cl)ccc12)c1cc(-c2nnn[n-]2)cs1 ZINC000823219212 606539508 /nfs/dbraw/zinc/53/95/08/606539508.db2.gz HXVYYKOSXJKCHB-UHFFFAOYSA-N -1 3 372.841 3.035 20 0 FGADHM O=C(NCCc1c[nH]c2cc(Cl)ccc12)c1cc(-c2nn[n-]n2)cs1 ZINC000823219212 606539510 /nfs/dbraw/zinc/53/95/10/606539510.db2.gz HXVYYKOSXJKCHB-UHFFFAOYSA-N -1 3 372.841 3.035 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(C)=Cc1ccc(F)cc1 ZINC000821755549 606541482 /nfs/dbraw/zinc/54/14/82/606541482.db2.gz HJRVJPPYJZQCJM-LUAWRHEFSA-N -1 3 353.357 3.056 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(C)=Cc1ccc(F)cc1 ZINC000821755549 606541483 /nfs/dbraw/zinc/54/14/83/606541483.db2.gz HJRVJPPYJZQCJM-LUAWRHEFSA-N -1 3 353.357 3.056 20 0 FGADHM O=C(Nc1ccc(-n2ccnc2)c(Cl)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823323409 606541750 /nfs/dbraw/zinc/54/17/50/606541750.db2.gz NAIHZOZPWZCJRY-UHFFFAOYSA-N -1 3 371.813 3.020 20 0 FGADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)N[C@@H](C1CCCC1)C(F)(F)F ZINC000822978185 606548796 /nfs/dbraw/zinc/54/87/96/606548796.db2.gz FFJOLEFEBHPTMJ-HNNXBMFYSA-N -1 3 367.375 3.037 20 0 FGADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)N[C@@H](C1CCCC1)C(F)(F)F ZINC000822978185 606548798 /nfs/dbraw/zinc/54/87/98/606548798.db2.gz FFJOLEFEBHPTMJ-HNNXBMFYSA-N -1 3 367.375 3.037 20 0 FGADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1OC(F)F)[C@H]1CC12CCCC2 ZINC000823421835 606561963 /nfs/dbraw/zinc/56/19/63/606561963.db2.gz IGGONZPEAQBZJM-GFCCVEGCSA-N -1 3 364.352 3.092 20 0 FGADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1OC(F)F)[C@H]1CC12CCCC2 ZINC000823421835 606561965 /nfs/dbraw/zinc/56/19/65/606561965.db2.gz IGGONZPEAQBZJM-GFCCVEGCSA-N -1 3 364.352 3.092 20 0 FGADHM O=C(OCCc1c(F)cccc1Cl)c1cc(-c2nnn[n-]2)cs1 ZINC000823409680 606567576 /nfs/dbraw/zinc/56/75/76/606567576.db2.gz KLFLUFLDZXOAQR-UHFFFAOYSA-N -1 3 352.778 3.120 20 0 FGADHM O=C(OCCc1c(F)cccc1Cl)c1cc(-c2nn[n-]n2)cs1 ZINC000823409680 606567578 /nfs/dbraw/zinc/56/75/78/606567578.db2.gz KLFLUFLDZXOAQR-UHFFFAOYSA-N -1 3 352.778 3.120 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N(CCC(F)(F)F)CC1CC1 ZINC000823333022 606576881 /nfs/dbraw/zinc/57/68/81/606576881.db2.gz XCURGUMNMXEOPY-UHFFFAOYSA-N -1 3 372.326 3.202 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N(CCC(F)(F)F)CC1CC1 ZINC000823333022 606576882 /nfs/dbraw/zinc/57/68/82/606576882.db2.gz XCURGUMNMXEOPY-UHFFFAOYSA-N -1 3 372.326 3.202 20 0 FGADHM O=C(c1ccc(-c2nnn[n-]2)cc1)N1CCc2cc(-c3ccccc3)oc2C1 ZINC000823478595 606578651 /nfs/dbraw/zinc/57/86/51/606578651.db2.gz MUSOBWRMYIMUBI-UHFFFAOYSA-N -1 3 371.400 3.325 20 0 FGADHM O=C(c1ccc(-c2nn[n-]n2)cc1)N1CCc2cc(-c3ccccc3)oc2C1 ZINC000823478595 606578652 /nfs/dbraw/zinc/57/86/52/606578652.db2.gz MUSOBWRMYIMUBI-UHFFFAOYSA-N -1 3 371.400 3.325 20 0 FGADHM Cc1nnc(NC[C@@H]2CCC[C@@H](C(F)(F)F)C2)c(-c2nnn[n-]2)c1C ZINC000822516360 606594810 /nfs/dbraw/zinc/59/48/10/606594810.db2.gz XBIJOOHDAWYAIK-GHMZBOCLSA-N -1 3 355.368 3.054 20 0 FGADHM Cc1nnc(NC[C@@H]2CCC[C@@H](C(F)(F)F)C2)c(-c2nn[n-]n2)c1C ZINC000822516360 606594812 /nfs/dbraw/zinc/59/48/12/606594812.db2.gz XBIJOOHDAWYAIK-GHMZBOCLSA-N -1 3 355.368 3.054 20 0 FGADHM Cc1cc(CSCc2ccc(-c3nnn[n-]3)cc2OC(F)F)on1 ZINC000822200900 606598778 /nfs/dbraw/zinc/59/87/78/606598778.db2.gz HZBXVNSXILQZGE-UHFFFAOYSA-N -1 3 353.354 3.198 20 0 FGADHM Cc1cc(CSCc2ccc(-c3nn[n-]n3)cc2OC(F)F)on1 ZINC000822200900 606598779 /nfs/dbraw/zinc/59/87/79/606598779.db2.gz HZBXVNSXILQZGE-UHFFFAOYSA-N -1 3 353.354 3.198 20 0 FGADHM COc1cccc([C@H](C)CC(=O)OCc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000821859055 606615347 /nfs/dbraw/zinc/61/53/47/606615347.db2.gz KIIMFMYXQUEXQW-GFCCVEGCSA-N -1 3 370.384 3.251 20 0 FGADHM COc1cccc([C@H](C)CC(=O)OCc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000821859055 606615349 /nfs/dbraw/zinc/61/53/49/606615349.db2.gz KIIMFMYXQUEXQW-GFCCVEGCSA-N -1 3 370.384 3.251 20 0 FGADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CCCCC[C@@H]1/C=C\c1ccccc1 ZINC000823465975 606626546 /nfs/dbraw/zinc/62/65/46/606626546.db2.gz DHQKPSGMNFVITQ-QXPKXGMISA-N -1 3 362.437 3.293 20 0 FGADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CCCCC[C@@H]1/C=C\c1ccccc1 ZINC000823465975 606626548 /nfs/dbraw/zinc/62/65/48/606626548.db2.gz DHQKPSGMNFVITQ-QXPKXGMISA-N -1 3 362.437 3.293 20 0 FGADHM C[C@H]1CCCC[C@H]1NC(=O)CSc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000820703351 606630191 /nfs/dbraw/zinc/63/01/91/606630191.db2.gz DXAURVPELIFKSI-GXFFZTMASA-N -1 3 365.890 3.307 20 0 FGADHM C[C@H]1CCCC[C@H]1NC(=O)CSc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000820703351 606630192 /nfs/dbraw/zinc/63/01/92/606630192.db2.gz DXAURVPELIFKSI-GXFFZTMASA-N -1 3 365.890 3.307 20 0 FGADHM CCCCOC(=O)c1ccc(NCc2ccccc2-c2nnn[n-]2)cc1 ZINC000821071885 606636166 /nfs/dbraw/zinc/63/61/66/606636166.db2.gz NETBWUAVLWHHEP-UHFFFAOYSA-N -1 3 351.410 3.436 20 0 FGADHM CCCCOC(=O)c1ccc(NCc2ccccc2-c2nn[n-]n2)cc1 ZINC000821071885 606636167 /nfs/dbraw/zinc/63/61/67/606636167.db2.gz NETBWUAVLWHHEP-UHFFFAOYSA-N -1 3 351.410 3.436 20 0 FGADHM COCc1nc(CNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cs1 ZINC000821695835 606656497 /nfs/dbraw/zinc/65/64/97/606656497.db2.gz KDSPMTAKGKEJNH-UHFFFAOYSA-N -1 3 370.360 3.101 20 0 FGADHM COCc1nc(CNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cs1 ZINC000821695835 606656498 /nfs/dbraw/zinc/65/64/98/606656498.db2.gz KDSPMTAKGKEJNH-UHFFFAOYSA-N -1 3 370.360 3.101 20 0 FGADHM O=C(NCc1ccc2ccccc2c1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823254321 606667535 /nfs/dbraw/zinc/66/75/35/606667535.db2.gz RZDZVPMIMQUENE-UHFFFAOYSA-N -1 3 365.343 3.228 20 0 FGADHM O=C(NCc1ccc2ccccc2c1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823254321 606667536 /nfs/dbraw/zinc/66/75/36/606667536.db2.gz RZDZVPMIMQUENE-UHFFFAOYSA-N -1 3 365.343 3.228 20 0 FGADHM O=C(c1c(F)cc(-c2nnn[n-]2)cc1F)N(Cc1ccco1)C1CCCC1 ZINC000823454022 606669805 /nfs/dbraw/zinc/66/98/05/606669805.db2.gz JAMONJODMVILJU-UHFFFAOYSA-N -1 3 373.363 3.323 20 0 FGADHM O=C(c1c(F)cc(-c2nn[n-]n2)cc1F)N(Cc1ccco1)C1CCCC1 ZINC000823454022 606669806 /nfs/dbraw/zinc/66/98/06/606669806.db2.gz JAMONJODMVILJU-UHFFFAOYSA-N -1 3 373.363 3.323 20 0 FGADHM CC(C)COc1ccccc1NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820102955 606673371 /nfs/dbraw/zinc/67/33/71/606673371.db2.gz MPVANYBXYMEDQE-UHFFFAOYSA-N -1 3 373.363 3.432 20 0 FGADHM CC(C)COc1ccccc1NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820102955 606673372 /nfs/dbraw/zinc/67/33/72/606673372.db2.gz MPVANYBXYMEDQE-UHFFFAOYSA-N -1 3 373.363 3.432 20 0 FGADHM CN(C(=O)c1cc(F)cc(C(F)(F)F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000821573262 606673727 /nfs/dbraw/zinc/67/37/27/606673727.db2.gz IIQMJZKFOYUFTJ-UHFFFAOYSA-N -1 3 365.290 3.301 20 0 FGADHM CN(C(=O)c1cc(F)cc(C(F)(F)F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000821573262 606673728 /nfs/dbraw/zinc/67/37/28/606673728.db2.gz IIQMJZKFOYUFTJ-UHFFFAOYSA-N -1 3 365.290 3.301 20 0 FGADHM CCc1c(C)sc(NC(=O)Cc2cccc(F)c2F)c1-c1nnn[n-]1 ZINC000821466483 606676945 /nfs/dbraw/zinc/67/69/45/606676945.db2.gz XVNIKWSSXOUNDO-UHFFFAOYSA-N -1 3 363.393 3.258 20 0 FGADHM CCc1c(C)sc(NC(=O)Cc2cccc(F)c2F)c1-c1nn[n-]n1 ZINC000821466483 606676946 /nfs/dbraw/zinc/67/69/46/606676946.db2.gz XVNIKWSSXOUNDO-UHFFFAOYSA-N -1 3 363.393 3.258 20 0 FGADHM O=C(NCCCCCc1ccccc1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823187531 606677334 /nfs/dbraw/zinc/67/73/34/606677334.db2.gz MJYMASOUCKWCTJ-UHFFFAOYSA-N -1 3 371.391 3.288 20 0 FGADHM O=C(NCCCCCc1ccccc1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823187531 606677335 /nfs/dbraw/zinc/67/73/35/606677335.db2.gz MJYMASOUCKWCTJ-UHFFFAOYSA-N -1 3 371.391 3.288 20 0 FGADHM Cc1ccc([C@H]2CCCCN2C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)o1 ZINC000822233725 606681782 /nfs/dbraw/zinc/68/17/82/606681782.db2.gz UCXBUOXVTLSQDB-CQSZACIVSA-N -1 3 373.363 3.414 20 0 FGADHM Cc1ccc([C@H]2CCCCN2C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)o1 ZINC000822233725 606681783 /nfs/dbraw/zinc/68/17/83/606681783.db2.gz UCXBUOXVTLSQDB-CQSZACIVSA-N -1 3 373.363 3.414 20 0 FGADHM C[C@H](Nc1c(Cl)cccc1-c1nnn[n-]1)c1cn(-c2ccccc2)nn1 ZINC000820451694 606728537 /nfs/dbraw/zinc/72/85/37/606728537.db2.gz WTSJIDLDTAJBGT-NSHDSACASA-N -1 3 366.816 3.274 20 0 FGADHM C[C@H](Nc1c(Cl)cccc1-c1nn[n-]n1)c1cn(-c2ccccc2)nn1 ZINC000820451694 606728539 /nfs/dbraw/zinc/72/85/39/606728539.db2.gz WTSJIDLDTAJBGT-NSHDSACASA-N -1 3 366.816 3.274 20 0 FGADHM C[C@H](Nc1cc(Cl)ccc1-c1nnn[n-]1)c1cn(-c2ccccc2)nn1 ZINC000820456624 606728809 /nfs/dbraw/zinc/72/88/09/606728809.db2.gz VTGOISRZHVENRI-NSHDSACASA-N -1 3 366.816 3.274 20 0 FGADHM C[C@H](Nc1cc(Cl)ccc1-c1nn[n-]n1)c1cn(-c2ccccc2)nn1 ZINC000820456624 606728811 /nfs/dbraw/zinc/72/88/11/606728811.db2.gz VTGOISRZHVENRI-NSHDSACASA-N -1 3 366.816 3.274 20 0 FGADHM Fc1cc(F)c2ncc(-c3nnn[n-]3)c(N[C@@H]3CCC[C@@H]4OCC[C@@H]43)c2c1 ZINC000822753149 606729979 /nfs/dbraw/zinc/72/99/79/606729979.db2.gz GQXLPRGOZANMNL-KMUNFCNLSA-N -1 3 372.379 3.063 20 0 FGADHM Fc1cc(F)c2ncc(-c3nn[n-]n3)c(N[C@@H]3CCC[C@@H]4OCC[C@@H]43)c2c1 ZINC000822753149 606729981 /nfs/dbraw/zinc/72/99/81/606729981.db2.gz GQXLPRGOZANMNL-KMUNFCNLSA-N -1 3 372.379 3.063 20 0 FGADHM O=C(NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1)C1=CCCC1 ZINC000823252946 606733394 /nfs/dbraw/zinc/73/33/94/606733394.db2.gz BDSLQUFOUJJQOS-UHFFFAOYSA-N -1 3 351.435 3.322 20 0 FGADHM O=C(OCc1ccc2ncccc2c1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823431540 606748677 /nfs/dbraw/zinc/74/86/77/606748677.db2.gz QXKDGDUNWKXZPK-UHFFFAOYSA-N -1 3 367.315 3.050 20 0 FGADHM O=C(OCc1ccc2ncccc2c1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823431540 606748678 /nfs/dbraw/zinc/74/86/78/606748678.db2.gz QXKDGDUNWKXZPK-UHFFFAOYSA-N -1 3 367.315 3.050 20 0 FGADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1)c1cc(F)cc(C(F)(F)F)c1 ZINC000823418406 606750373 /nfs/dbraw/zinc/75/03/73/606750373.db2.gz QZSHJOYYBPCYAF-UHFFFAOYSA-N -1 3 366.274 3.382 20 0 FGADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1)c1cc(F)cc(C(F)(F)F)c1 ZINC000823418406 606750375 /nfs/dbraw/zinc/75/03/75/606750375.db2.gz QZSHJOYYBPCYAF-UHFFFAOYSA-N -1 3 366.274 3.382 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)NC1(Cc2ccccc2)CCC1 ZINC000822929706 606757852 /nfs/dbraw/zinc/75/78/52/606757852.db2.gz XIALSEGOZBTOTF-VAWYXSNFSA-N -1 3 359.433 3.162 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)NC1(Cc2ccccc2)CCC1 ZINC000822929706 606757853 /nfs/dbraw/zinc/75/78/53/606757853.db2.gz XIALSEGOZBTOTF-VAWYXSNFSA-N -1 3 359.433 3.162 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NC1(Cc2ccccc2)CCC1 ZINC000822218141 606771023 /nfs/dbraw/zinc/77/10/23/606771023.db2.gz YBYZFBKJWYCSDM-UHFFFAOYSA-N -1 3 362.437 3.462 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NC1(Cc2ccccc2)CCC1 ZINC000822218141 606771025 /nfs/dbraw/zinc/77/10/25/606771025.db2.gz YBYZFBKJWYCSDM-UHFFFAOYSA-N -1 3 362.437 3.462 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)NC1(Cc2ccccc2)CCC1 ZINC000823343738 606773011 /nfs/dbraw/zinc/77/30/11/606773011.db2.gz FRLXBKTXAIQPEC-UHFFFAOYSA-N -1 3 366.400 3.293 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)NC1(Cc2ccccc2)CCC1 ZINC000823343738 606773012 /nfs/dbraw/zinc/77/30/12/606773012.db2.gz FRLXBKTXAIQPEC-UHFFFAOYSA-N -1 3 366.400 3.293 20 0 FGADHM COc1c(F)cc(F)cc1NC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821698414 606774016 /nfs/dbraw/zinc/77/40/16/606774016.db2.gz JFQVYXABRPDLCE-SECBINFHSA-N -1 3 374.351 3.036 20 0 FGADHM COc1c(F)cc(F)cc1NC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821698414 606774018 /nfs/dbraw/zinc/77/40/18/606774018.db2.gz JFQVYXABRPDLCE-SECBINFHSA-N -1 3 374.351 3.036 20 0 FGADHM O=C(c1cccc(-c2nnn[n-]2)c1)N1CCCC[C@H]1c1nc2ccccc2o1 ZINC000823487648 606815013 /nfs/dbraw/zinc/81/50/13/606815013.db2.gz FDYBWTZDTXNXME-INIZCTEOSA-N -1 3 374.404 3.375 20 0 FGADHM O=C(c1cccc(-c2nn[n-]n2)c1)N1CCCC[C@H]1c1nc2ccccc2o1 ZINC000823487648 606815015 /nfs/dbraw/zinc/81/50/15/606815015.db2.gz FDYBWTZDTXNXME-INIZCTEOSA-N -1 3 374.404 3.375 20 0 FGADHM CC(=O)[C@H](C)OC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000819782290 606829363 /nfs/dbraw/zinc/82/93/63/606829363.db2.gz KVJQITFOTNWJHK-ZDUSSCGKSA-N -1 3 366.377 3.102 20 0 FGADHM CC(=O)[C@H](C)OC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000819782290 606829364 /nfs/dbraw/zinc/82/93/64/606829364.db2.gz KVJQITFOTNWJHK-ZDUSSCGKSA-N -1 3 366.377 3.102 20 0 FGADHM Cc1cc(-c2csc(NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)n2)ccc1F ZINC000822129628 606835242 /nfs/dbraw/zinc/83/52/42/606835242.db2.gz MVIPRQDKKNCZNE-UHFFFAOYSA-N -1 3 369.385 3.018 20 0 FGADHM Cc1cc(-c2csc(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)n2)ccc1F ZINC000822129628 606835244 /nfs/dbraw/zinc/83/52/44/606835244.db2.gz MVIPRQDKKNCZNE-UHFFFAOYSA-N -1 3 369.385 3.018 20 0 FGADHM O[C@H](CSc1ccc(C(F)(F)F)cn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823699623 606848345 /nfs/dbraw/zinc/84/83/45/606848345.db2.gz WNGJSOGBWPVMKX-GFCCVEGCSA-N -1 3 367.356 3.106 20 0 FGADHM O[C@H](CSc1ccc(C(F)(F)F)cn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823699623 606848347 /nfs/dbraw/zinc/84/83/47/606848347.db2.gz WNGJSOGBWPVMKX-GFCCVEGCSA-N -1 3 367.356 3.106 20 0 FGADHM CCc1noc(C)c1CSc1nc2c(c(C)c1-c1nnn[n-]1)CCC2 ZINC000821554825 606872790 /nfs/dbraw/zinc/87/27/90/606872790.db2.gz SSQUIFVELZLBOA-UHFFFAOYSA-N -1 3 356.455 3.210 20 0 FGADHM CCc1noc(C)c1CSc1nc2c(c(C)c1-c1nn[n-]n1)CCC2 ZINC000821554825 606872791 /nfs/dbraw/zinc/87/27/91/606872791.db2.gz SSQUIFVELZLBOA-UHFFFAOYSA-N -1 3 356.455 3.210 20 0 FGADHM COc1cc(C)ccc1CNC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000821707937 606874910 /nfs/dbraw/zinc/87/49/10/606874910.db2.gz IPVFIYRIPAEBHM-UHFFFAOYSA-N -1 3 372.816 3.159 20 0 FGADHM COc1cc(C)ccc1CNC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000821707937 606874911 /nfs/dbraw/zinc/87/49/11/606874911.db2.gz IPVFIYRIPAEBHM-UHFFFAOYSA-N -1 3 372.816 3.159 20 0 FGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1)c1cncc(-c2ccccc2)c1 ZINC000823430226 606891169 /nfs/dbraw/zinc/89/11/69/606891169.db2.gz ILMIIAYFLHRKCZ-UHFFFAOYSA-N -1 3 357.373 3.286 20 0 FGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1)c1cncc(-c2ccccc2)c1 ZINC000823430226 606891171 /nfs/dbraw/zinc/89/11/71/606891171.db2.gz ILMIIAYFLHRKCZ-UHFFFAOYSA-N -1 3 357.373 3.286 20 0 FGADHM CCOCCC1(C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)CCCC1 ZINC000821374621 606924510 /nfs/dbraw/zinc/92/45/10/606924510.db2.gz YKZFNXZUEZQZNM-CQSZACIVSA-N -1 3 358.442 3.458 20 0 FGADHM CCOCCC1(C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC000821374621 606924512 /nfs/dbraw/zinc/92/45/12/606924512.db2.gz YKZFNXZUEZQZNM-CQSZACIVSA-N -1 3 358.442 3.458 20 0 FGADHM CC[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)cn1)c1c(F)cccc1Cl ZINC000820939108 606929561 /nfs/dbraw/zinc/92/95/61/606929561.db2.gz QSHIVAJPNUWDJZ-CYBMUJFWSA-N -1 3 361.764 3.362 20 0 FGADHM CC[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)cn1)c1c(F)cccc1Cl ZINC000820939108 606929563 /nfs/dbraw/zinc/92/95/63/606929563.db2.gz QSHIVAJPNUWDJZ-CYBMUJFWSA-N -1 3 361.764 3.362 20 0 FGADHM Cc1ncsc1CN(C)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000822482493 606934705 /nfs/dbraw/zinc/93/47/05/606934705.db2.gz SHLDICHTTGJPFU-UHFFFAOYSA-N -1 3 354.361 3.287 20 0 FGADHM Cc1ncsc1CN(C)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000822482493 606934707 /nfs/dbraw/zinc/93/47/07/606934707.db2.gz SHLDICHTTGJPFU-UHFFFAOYSA-N -1 3 354.361 3.287 20 0 FGADHM CCOC[C@@H]1CCCN(c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)C1 ZINC000821367377 606935225 /nfs/dbraw/zinc/93/52/25/606935225.db2.gz HWJZSNPKRLKYPR-LLVKDONJSA-N -1 3 355.364 3.138 20 0 FGADHM CCOC[C@@H]1CCCN(c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)C1 ZINC000821367377 606935227 /nfs/dbraw/zinc/93/52/27/606935227.db2.gz HWJZSNPKRLKYPR-LLVKDONJSA-N -1 3 355.364 3.138 20 0 FGADHM CCc1nnc(N[C@@H]2CSc3ccccc32)c(-c2nnn[n-]2)c1CC ZINC000821527054 606937042 /nfs/dbraw/zinc/93/70/42/606937042.db2.gz BIIDHEICEJJLST-CYBMUJFWSA-N -1 3 353.455 3.040 20 0 FGADHM CCc1nnc(N[C@@H]2CSc3ccccc32)c(-c2nn[n-]n2)c1CC ZINC000821527054 606937043 /nfs/dbraw/zinc/93/70/43/606937043.db2.gz BIIDHEICEJJLST-CYBMUJFWSA-N -1 3 353.455 3.040 20 0 FGADHM CC(C)(C)c1nnc(CNc2nc3ccccc3cc2-c2nnn[n-]2)s1 ZINC000819971406 606945752 /nfs/dbraw/zinc/94/57/52/606945752.db2.gz KCTBUHYLTCAHPR-UHFFFAOYSA-N -1 3 366.454 3.176 20 0 FGADHM CC(C)(C)c1nnc(CNc2nc3ccccc3cc2-c2nn[n-]n2)s1 ZINC000819971406 606945754 /nfs/dbraw/zinc/94/57/54/606945754.db2.gz KCTBUHYLTCAHPR-UHFFFAOYSA-N -1 3 366.454 3.176 20 0 FGADHM COC(C)(C)CN(C)c1c(-c2nnn[n-]2)cnc2c(F)ccc(Cl)c21 ZINC000821672430 606950736 /nfs/dbraw/zinc/95/07/36/606950736.db2.gz KHZDXUWLBQYZKC-UHFFFAOYSA-N -1 3 364.812 3.069 20 0 FGADHM COC(C)(C)CN(C)c1c(-c2nn[n-]n2)cnc2c(F)ccc(Cl)c21 ZINC000821672430 606950738 /nfs/dbraw/zinc/95/07/38/606950738.db2.gz KHZDXUWLBQYZKC-UHFFFAOYSA-N -1 3 364.812 3.069 20 0 FGADHM C[C@@H]1CC[C@@H](C(=O)OCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)O1 ZINC000820674133 606951695 /nfs/dbraw/zinc/95/16/95/606951695.db2.gz BKNJTOZHMKPILQ-ACJLOTCBSA-N -1 3 364.405 3.144 20 0 FGADHM C[C@@H]1CC[C@@H](C(=O)OCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)O1 ZINC000820674133 606951696 /nfs/dbraw/zinc/95/16/96/606951696.db2.gz BKNJTOZHMKPILQ-ACJLOTCBSA-N -1 3 364.405 3.144 20 0 FGADHM Cc1ccc(Br)c(C(=O)OCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822224887 606953711 /nfs/dbraw/zinc/95/37/11/606953711.db2.gz DTXYHSDNEQBTTQ-UHFFFAOYSA-N -1 3 373.210 3.295 20 0 FGADHM Cc1ccc(Br)c(C(=O)OCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822224887 606953713 /nfs/dbraw/zinc/95/37/13/606953713.db2.gz DTXYHSDNEQBTTQ-UHFFFAOYSA-N -1 3 373.210 3.295 20 0 FGADHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)c1cccc(Cl)c1F ZINC000823417717 606954952 /nfs/dbraw/zinc/95/49/52/606954952.db2.gz GELKZXVGJFEQGD-UHFFFAOYSA-N -1 3 350.712 3.155 20 0 FGADHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)c1cccc(Cl)c1F ZINC000823417717 606954954 /nfs/dbraw/zinc/95/49/54/606954954.db2.gz GELKZXVGJFEQGD-UHFFFAOYSA-N -1 3 350.712 3.155 20 0 FGADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)Nc1cc(F)cc(Cl)c1 ZINC000823237744 606956278 /nfs/dbraw/zinc/95/62/78/606956278.db2.gz AQIOXSOHCUNANL-UHFFFAOYSA-N -1 3 364.743 3.120 20 0 FGADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)Nc1cc(F)cc(Cl)c1 ZINC000823237744 606956279 /nfs/dbraw/zinc/95/62/79/606956279.db2.gz AQIOXSOHCUNANL-UHFFFAOYSA-N -1 3 364.743 3.120 20 0 FGADHM CC(C)COc1ccc([C@@H](C)NC(=O)c2cc(-c3nnn[n-]3)cs2)cc1 ZINC000820103183 606956967 /nfs/dbraw/zinc/95/69/67/606956967.db2.gz OWHTYTXJKCUUFB-GFCCVEGCSA-N -1 3 371.466 3.454 20 0 FGADHM CC(C)COc1ccc([C@@H](C)NC(=O)c2cc(-c3nn[n-]n3)cs2)cc1 ZINC000820103183 606956968 /nfs/dbraw/zinc/95/69/68/606956968.db2.gz OWHTYTXJKCUUFB-GFCCVEGCSA-N -1 3 371.466 3.454 20 0 FGADHM CCOCCC1(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OCC)CCCC1 ZINC000821373034 606956975 /nfs/dbraw/zinc/95/69/75/606956975.db2.gz BRSYTTOHNIJLBA-UHFFFAOYSA-N -1 3 373.457 3.191 20 0 FGADHM CCOCCC1(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OCC)CCCC1 ZINC000821373034 606956976 /nfs/dbraw/zinc/95/69/76/606956976.db2.gz BRSYTTOHNIJLBA-UHFFFAOYSA-N -1 3 373.457 3.191 20 0 FGADHM Fc1ccc(CN2CCO[C@H](c3ccc(Cl)cc3)C2)cc1-c1nnn[n-]1 ZINC000822771962 606964252 /nfs/dbraw/zinc/96/42/52/606964252.db2.gz NDGXLZPJJGXJJE-KRWDZBQOSA-N -1 3 373.819 3.233 20 0 FGADHM Fc1ccc(CN2CCO[C@H](c3ccc(Cl)cc3)C2)cc1-c1nn[n-]n1 ZINC000822771962 606964254 /nfs/dbraw/zinc/96/42/54/606964254.db2.gz NDGXLZPJJGXJJE-KRWDZBQOSA-N -1 3 373.819 3.233 20 0 FGADHM c1cc2nsnc2c(CSCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000823762050 606988153 /nfs/dbraw/zinc/98/81/53/606988153.db2.gz GRCWECGSXSWMFJ-UHFFFAOYSA-N -1 3 370.463 3.184 20 0 FGADHM c1cc2nsnc2c(CSCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC000823762050 606988154 /nfs/dbraw/zinc/98/81/54/606988154.db2.gz GRCWECGSXSWMFJ-UHFFFAOYSA-N -1 3 370.463 3.184 20 0 FGADHM O=C(CCSc1ccccc1)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822974710 606989268 /nfs/dbraw/zinc/98/92/68/606989268.db2.gz ZSQGUEUZPSXYGM-UHFFFAOYSA-N -1 3 358.398 3.231 20 0 FGADHM O=C(CCSc1ccccc1)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822974710 606989270 /nfs/dbraw/zinc/98/92/70/606989270.db2.gz ZSQGUEUZPSXYGM-UHFFFAOYSA-N -1 3 358.398 3.231 20 0 FGADHM Cc1cc(C)c(OCC(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)c(C)c1 ZINC000822194302 606991871 /nfs/dbraw/zinc/99/18/71/606991871.db2.gz REZDJUQPYXJLBS-UHFFFAOYSA-N -1 3 370.384 3.053 20 0 FGADHM Cc1cc(C)c(OCC(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)c(C)c1 ZINC000822194302 606991873 /nfs/dbraw/zinc/99/18/73/606991873.db2.gz REZDJUQPYXJLBS-UHFFFAOYSA-N -1 3 370.384 3.053 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)c1sccc1OC(F)F ZINC000823426219 606999760 /nfs/dbraw/zinc/99/97/60/606999760.db2.gz DLULVOMRQPERDD-UHFFFAOYSA-N -1 3 370.312 3.026 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)c1sccc1OC(F)F ZINC000823426219 606999762 /nfs/dbraw/zinc/99/97/62/606999762.db2.gz DLULVOMRQPERDD-UHFFFAOYSA-N -1 3 370.312 3.026 20 0 FGADHM COc1ccc([C@H](C)CC(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000821777851 607001762 /nfs/dbraw/zinc/00/17/62/607001762.db2.gz NATDTGITCWVFTD-GFCCVEGCSA-N -1 3 370.384 3.251 20 0 FGADHM COc1ccc([C@H](C)CC(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000821777851 607001763 /nfs/dbraw/zinc/00/17/63/607001763.db2.gz NATDTGITCWVFTD-GFCCVEGCSA-N -1 3 370.384 3.251 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000823422000 607002319 /nfs/dbraw/zinc/00/23/19/607002319.db2.gz MRJWEYPBAUBKJU-DGCLKSJQSA-N -1 3 374.322 3.131 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000823422000 607002321 /nfs/dbraw/zinc/00/23/21/607002321.db2.gz MRJWEYPBAUBKJU-DGCLKSJQSA-N -1 3 374.322 3.131 20 0 FGADHM CC=C(C=CC(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1)CC ZINC000820825930 607022891 /nfs/dbraw/zinc/02/28/91/607022891.db2.gz HNGNAVHKLWCHRP-IROFQVOHSA-N -1 3 367.453 3.149 20 0 FGADHM CC=C(C=CC(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1)CC ZINC000820825930 607022892 /nfs/dbraw/zinc/02/28/92/607022892.db2.gz HNGNAVHKLWCHRP-IROFQVOHSA-N -1 3 367.453 3.149 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1OCc1ccn(-c2cccc(F)c2)n1 ZINC000822221627 607030342 /nfs/dbraw/zinc/03/03/42/607030342.db2.gz YARIJJNCKXOBNH-UHFFFAOYSA-N -1 3 350.357 3.079 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1OCc1ccn(-c2cccc(F)c2)n1 ZINC000822221627 607030343 /nfs/dbraw/zinc/03/03/43/607030343.db2.gz YARIJJNCKXOBNH-UHFFFAOYSA-N -1 3 350.357 3.079 20 0 FGADHM CC(C)(C)OCCCOc1ccc(Br)cc1-c1nnn[n-]1 ZINC000819951777 607030793 /nfs/dbraw/zinc/03/07/93/607030793.db2.gz WMMHHBJOPQXXGB-UHFFFAOYSA-N -1 3 355.236 3.213 20 0 FGADHM CC(C)(C)OCCCOc1ccc(Br)cc1-c1nn[n-]n1 ZINC000819951777 607030795 /nfs/dbraw/zinc/03/07/95/607030795.db2.gz WMMHHBJOPQXXGB-UHFFFAOYSA-N -1 3 355.236 3.213 20 0 FGADHM Cc1nnc([C@H](C)SCc2ccc(-c3nnn[n-]3)cc2OC(F)F)o1 ZINC000822510468 607035268 /nfs/dbraw/zinc/03/52/68/607035268.db2.gz NZPKCVAWYBZAPQ-ZETCQYMHSA-N -1 3 368.369 3.154 20 0 FGADHM Cc1nnc([C@H](C)SCc2ccc(-c3nn[n-]n3)cc2OC(F)F)o1 ZINC000822510468 607035270 /nfs/dbraw/zinc/03/52/70/607035270.db2.gz NZPKCVAWYBZAPQ-ZETCQYMHSA-N -1 3 368.369 3.154 20 0 FGADHM Cc1c(F)cccc1NC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000822035350 607053182 /nfs/dbraw/zinc/05/31/82/607053182.db2.gz TUPDOKGCWLIXES-UHFFFAOYSA-N -1 3 355.373 3.110 20 0 FGADHM Cc1c(F)cccc1NC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000822035350 607053184 /nfs/dbraw/zinc/05/31/84/607053184.db2.gz TUPDOKGCWLIXES-UHFFFAOYSA-N -1 3 355.373 3.110 20 0 FGADHM CCOc1cc(Cl)ccc1NC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821394387 607054053 /nfs/dbraw/zinc/05/40/53/607054053.db2.gz JCDWVJQOWWJXJP-UHFFFAOYSA-N -1 3 357.801 3.100 20 0 FGADHM CCOc1cc(Cl)ccc1NC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821394387 607054054 /nfs/dbraw/zinc/05/40/54/607054054.db2.gz JCDWVJQOWWJXJP-UHFFFAOYSA-N -1 3 357.801 3.100 20 0 FGADHM CC(C)C[C@H]1CCCN(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000820067112 607058067 /nfs/dbraw/zinc/05/80/67/607058067.db2.gz CZSVJDFMWMHZAM-HUUCEWRRSA-N -1 3 356.474 3.395 20 0 FGADHM CC(C)C[C@H]1CCCN(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000820067112 607058068 /nfs/dbraw/zinc/05/80/68/607058068.db2.gz CZSVJDFMWMHZAM-HUUCEWRRSA-N -1 3 356.474 3.395 20 0 FGADHM Fc1ccc(CN(Cc2cc(F)ccc2-c2nn[n-]n2)C2CC2)c(F)c1 ZINC000822767283 607059541 /nfs/dbraw/zinc/05/95/41/607059541.db2.gz ZWXMUNYZEFWMTN-UHFFFAOYSA-N -1 3 359.355 3.449 20 0 FGADHM Fc1ccc2[nH]c3c(c2c1)CN(Cc1cc(F)ccc1-c1nnn[n-]1)CC3 ZINC000822758766 607064699 /nfs/dbraw/zinc/06/46/99/607064699.db2.gz XXOMVNXPCPRTGR-UHFFFAOYSA-N -1 3 366.375 3.185 20 0 FGADHM Fc1ccc2[nH]c3c(c2c1)CN(Cc1cc(F)ccc1-c1nn[n-]n1)CC3 ZINC000822758766 607064701 /nfs/dbraw/zinc/06/47/01/607064701.db2.gz XXOMVNXPCPRTGR-UHFFFAOYSA-N -1 3 366.375 3.185 20 0 FGADHM Cc1cccc([C@H]2CCCN2C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)n1 ZINC000822299420 607067829 /nfs/dbraw/zinc/06/78/29/607067829.db2.gz IKUNROWPEOWJHO-QGZVFWFLSA-N -1 3 363.425 3.248 20 0 FGADHM Cc1cccc([C@H]2CCCN2C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)n1 ZINC000822299420 607067831 /nfs/dbraw/zinc/06/78/31/607067831.db2.gz IKUNROWPEOWJHO-QGZVFWFLSA-N -1 3 363.425 3.248 20 0 FGADHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)C1(c2ccc(Cl)cc2)CC1 ZINC000823414527 607072899 /nfs/dbraw/zinc/07/28/99/607072899.db2.gz YWFVNDUGJNGLIS-UHFFFAOYSA-N -1 3 372.787 3.434 20 0 FGADHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)C1(c2ccc(Cl)cc2)CC1 ZINC000823414527 607072901 /nfs/dbraw/zinc/07/29/01/607072901.db2.gz YWFVNDUGJNGLIS-UHFFFAOYSA-N -1 3 372.787 3.434 20 0 FGADHM Cc1ccc2c(CC(=O)OCc3cc(F)ccc3-c3nnn[n-]3)coc2c1 ZINC000822275366 607074338 /nfs/dbraw/zinc/07/43/38/607074338.db2.gz RQFGTTCNROEKGO-UHFFFAOYSA-N -1 3 366.352 3.346 20 0 FGADHM Cc1ccc2c(CC(=O)OCc3cc(F)ccc3-c3nn[n-]n3)coc2c1 ZINC000822275366 607074340 /nfs/dbraw/zinc/07/43/40/607074340.db2.gz RQFGTTCNROEKGO-UHFFFAOYSA-N -1 3 366.352 3.346 20 0 FGADHM Cc1ccccc1C1(C(=O)OCc2cc(F)ccc2-c2nnn[n-]2)CC1 ZINC000822351229 607082516 /nfs/dbraw/zinc/08/25/16/607082516.db2.gz MGLGTKYRISMMLT-UHFFFAOYSA-N -1 3 352.369 3.089 20 0 FGADHM Cc1ccccc1C1(C(=O)OCc2cc(F)ccc2-c2nn[n-]n2)CC1 ZINC000822351229 607082518 /nfs/dbraw/zinc/08/25/18/607082518.db2.gz MGLGTKYRISMMLT-UHFFFAOYSA-N -1 3 352.369 3.089 20 0 FGADHM COc1ccccc1[C@H](C)CC(=O)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000821882548 607082672 /nfs/dbraw/zinc/08/26/72/607082672.db2.gz DKAIJTBRBGGZBY-GFCCVEGCSA-N -1 3 370.384 3.251 20 0 FGADHM COc1ccccc1[C@H](C)CC(=O)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000821882548 607082674 /nfs/dbraw/zinc/08/26/74/607082674.db2.gz DKAIJTBRBGGZBY-GFCCVEGCSA-N -1 3 370.384 3.251 20 0 FGADHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000823413320 607083054 /nfs/dbraw/zinc/08/30/54/607083054.db2.gz DQQZBUFVESLLRF-KGLIPLIRSA-N -1 3 374.322 3.131 20 0 FGADHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000823413320 607083055 /nfs/dbraw/zinc/08/30/55/607083055.db2.gz DQQZBUFVESLLRF-KGLIPLIRSA-N -1 3 374.322 3.131 20 0 FGADHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000823413885 607085007 /nfs/dbraw/zinc/08/50/07/607085007.db2.gz OXNKPPODZIMZRL-HIFRSBDPSA-N -1 3 374.322 3.131 20 0 FGADHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000823413885 607085009 /nfs/dbraw/zinc/08/50/09/607085009.db2.gz OXNKPPODZIMZRL-HIFRSBDPSA-N -1 3 374.322 3.131 20 0 FGADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cccc(OC(F)F)c1 ZINC000821305153 607101281 /nfs/dbraw/zinc/10/12/81/607101281.db2.gz ZJNVOGORXZLLAG-UHFFFAOYSA-N -1 3 374.351 3.152 20 0 FGADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)Cc1ccc(Cl)cc1 ZINC000821304587 607102169 /nfs/dbraw/zinc/10/21/69/607102169.db2.gz MBLCJMKJHJFLCJ-UHFFFAOYSA-N -1 3 356.817 3.133 20 0 FGADHM CC(C)N(C(=O)CNc1ccc(-c2nn[n-]n2)cc1Cl)c1ccccc1 ZINC000820112271 607125499 /nfs/dbraw/zinc/12/54/99/607125499.db2.gz PHIOWTURFAPVKK-UHFFFAOYSA-N -1 3 370.844 3.374 20 0 FGADHM CC[C@@H](OC1CCCCC1)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000820938727 607156576 /nfs/dbraw/zinc/15/65/76/607156576.db2.gz MQGHQPWGIWRMCH-OAHLLOKOSA-N -1 3 374.489 3.490 20 0 FGADHM CC[C@@H](OC1CCCCC1)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000820938727 607156577 /nfs/dbraw/zinc/15/65/77/607156577.db2.gz MQGHQPWGIWRMCH-OAHLLOKOSA-N -1 3 374.489 3.490 20 0 FGADHM O=C(COc1ccc(Cl)cc1)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000823040934 607162904 /nfs/dbraw/zinc/16/29/04/607162904.db2.gz SMTJZQUEVAJIEA-UHFFFAOYSA-N -1 3 360.826 3.260 20 0 FGADHM O=C(COc1ccc(Cl)cc1)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000823040934 607162905 /nfs/dbraw/zinc/16/29/05/607162905.db2.gz SMTJZQUEVAJIEA-UHFFFAOYSA-N -1 3 360.826 3.260 20 0 FGADHM CCCc1ccc(NCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)cc1 ZINC000821143035 607167156 /nfs/dbraw/zinc/16/71/56/607167156.db2.gz PDYGQWIHMGSYCB-UHFFFAOYSA-N -1 3 361.409 3.481 20 0 FGADHM CCCc1ccc(NCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)cc1 ZINC000821143035 607167157 /nfs/dbraw/zinc/16/71/57/607167157.db2.gz PDYGQWIHMGSYCB-UHFFFAOYSA-N -1 3 361.409 3.481 20 0 FGADHM O=C(NCCSc1ccccc1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823219560 607197487 /nfs/dbraw/zinc/19/74/87/607197487.db2.gz LOVZNSYUKHQQBE-UHFFFAOYSA-N -1 3 374.857 3.434 20 0 FGADHM O=C(NCCSc1ccccc1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823219560 607197488 /nfs/dbraw/zinc/19/74/88/607197488.db2.gz LOVZNSYUKHQQBE-UHFFFAOYSA-N -1 3 374.857 3.434 20 0 FGADHM O=C(NCc1ccc(F)c(F)c1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823254341 607202019 /nfs/dbraw/zinc/20/20/19/607202019.db2.gz SKNGOSZXGZJEOG-UHFFFAOYSA-N -1 3 364.743 3.120 20 0 FGADHM O=C(NCc1ccc(F)c(F)c1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823254341 607202020 /nfs/dbraw/zinc/20/20/20/607202020.db2.gz SKNGOSZXGZJEOG-UHFFFAOYSA-N -1 3 364.743 3.120 20 0 FGADHM C[C@H](CNC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)Oc1ccccc1 ZINC000820270020 607203961 /nfs/dbraw/zinc/20/39/61/607203961.db2.gz SESVXGRTGUBDDD-LLVKDONJSA-N -1 3 372.816 3.109 20 0 FGADHM C[C@H](CNC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)Oc1ccccc1 ZINC000820270020 607203962 /nfs/dbraw/zinc/20/39/62/607203962.db2.gz SESVXGRTGUBDDD-LLVKDONJSA-N -1 3 372.816 3.109 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N1CCC[C@@H]1c1ccncc1 ZINC000823313775 607204005 /nfs/dbraw/zinc/20/40/05/607204005.db2.gz IRNUGGLERWGSPJ-OAHLLOKOSA-N -1 3 369.816 3.284 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N1CCC[C@@H]1c1ccncc1 ZINC000823313775 607204006 /nfs/dbraw/zinc/20/40/06/607204006.db2.gz IRNUGGLERWGSPJ-OAHLLOKOSA-N -1 3 369.816 3.284 20 0 FGADHM CCS[C@H]1CCC[C@@H]1NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821456165 607204715 /nfs/dbraw/zinc/20/47/15/607204715.db2.gz NXWNRFYKXMXPGW-STQMWFEESA-N -1 3 366.878 3.316 20 0 FGADHM CCS[C@H]1CCC[C@@H]1NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821456165 607204716 /nfs/dbraw/zinc/20/47/16/607204716.db2.gz NXWNRFYKXMXPGW-STQMWFEESA-N -1 3 366.878 3.316 20 0 FGADHM C[C@@H](NC(=O)c1ncc(-c2nnn[n-]2)cc1Cl)c1ccc(Cl)s1 ZINC000820404488 607232384 /nfs/dbraw/zinc/23/23/84/607232384.db2.gz WLTYDCVOSGFZKD-ZCFIWIBFSA-N -1 3 369.237 3.121 20 0 FGADHM C[C@@H](NC(=O)c1ncc(-c2nn[n-]n2)cc1Cl)c1ccc(Cl)s1 ZINC000820404488 607232385 /nfs/dbraw/zinc/23/23/85/607232385.db2.gz WLTYDCVOSGFZKD-ZCFIWIBFSA-N -1 3 369.237 3.121 20 0 FGADHM Cc1ccc(OCCCC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)c(C)c1 ZINC000822263062 607239028 /nfs/dbraw/zinc/23/90/28/607239028.db2.gz IMKFBIVJRXOZFM-UHFFFAOYSA-N -1 3 369.400 3.420 20 0 FGADHM Cc1ccc(OCCCC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)c(C)c1 ZINC000822263062 607239029 /nfs/dbraw/zinc/23/90/29/607239029.db2.gz IMKFBIVJRXOZFM-UHFFFAOYSA-N -1 3 369.400 3.420 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1ccc(C(F)(F)F)cn1 ZINC000823318660 607241883 /nfs/dbraw/zinc/24/18/83/607241883.db2.gz GPPVVXZDYQOEDZ-UHFFFAOYSA-N -1 3 368.706 3.186 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1ccc(C(F)(F)F)cn1 ZINC000823318660 607241884 /nfs/dbraw/zinc/24/18/84/607241884.db2.gz GPPVVXZDYQOEDZ-UHFFFAOYSA-N -1 3 368.706 3.186 20 0 FGADHM O=C(COc1ccccc1Cl)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823054670 607242489 /nfs/dbraw/zinc/24/24/89/607242489.db2.gz CKDLUAWTNMDGTL-UHFFFAOYSA-N -1 3 364.192 3.191 20 0 FGADHM O=C(COc1ccccc1Cl)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823054670 607242490 /nfs/dbraw/zinc/24/24/90/607242490.db2.gz CKDLUAWTNMDGTL-UHFFFAOYSA-N -1 3 364.192 3.191 20 0 FGADHM O=C(COC/C=C/c1ccccc1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823032132 607243798 /nfs/dbraw/zinc/24/37/98/607243798.db2.gz OGOSNBTZTIKPMJ-QPJJXVBHSA-N -1 3 369.812 3.189 20 0 FGADHM O=C(COC/C=C/c1ccccc1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823032132 607243799 /nfs/dbraw/zinc/24/37/99/607243799.db2.gz OGOSNBTZTIKPMJ-QPJJXVBHSA-N -1 3 369.812 3.189 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)[C@@H]1Cc2ccccc2S1 ZINC000823314877 607244107 /nfs/dbraw/zinc/24/41/07/607244107.db2.gz TZWQRDOQEWGGNK-AWEZNQCLSA-N -1 3 357.826 3.176 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)[C@@H]1Cc2ccccc2S1 ZINC000823314877 607244108 /nfs/dbraw/zinc/24/41/08/607244108.db2.gz TZWQRDOQEWGGNK-AWEZNQCLSA-N -1 3 357.826 3.176 20 0 FGADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1OCC1CC1 ZINC000823451026 607248229 /nfs/dbraw/zinc/24/82/29/607248229.db2.gz SQQIUWUFWISGAB-UHFFFAOYSA-N -1 3 354.341 3.014 20 0 FGADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1OCC1CC1 ZINC000823451026 607248230 /nfs/dbraw/zinc/24/82/30/607248230.db2.gz SQQIUWUFWISGAB-UHFFFAOYSA-N -1 3 354.341 3.014 20 0 FGADHM COc1ccc(C2(C(=O)Oc3ccc(-c4nnn[n-]4)cc3F)CCC2)cc1 ZINC000821782730 607248640 /nfs/dbraw/zinc/24/86/40/607248640.db2.gz LYKZYNPLOYYNJT-UHFFFAOYSA-N -1 3 368.368 3.042 20 0 FGADHM COc1ccc(C2(C(=O)Oc3ccc(-c4nn[n-]n4)cc3F)CCC2)cc1 ZINC000821782730 607248641 /nfs/dbraw/zinc/24/86/41/607248641.db2.gz LYKZYNPLOYYNJT-UHFFFAOYSA-N -1 3 368.368 3.042 20 0 FGADHM Cc1cc(N(C)C)cc(C)c1NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000826269010 607775475 /nfs/dbraw/zinc/77/54/75/607775475.db2.gz XKZTVILHSCNYTG-KTKRTIGZSA-N -1 3 362.437 3.201 20 0 FGADHM Cc1cc(N(C)C)cc(C)c1NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000826269010 607775476 /nfs/dbraw/zinc/77/54/76/607775476.db2.gz XKZTVILHSCNYTG-KTKRTIGZSA-N -1 3 362.437 3.201 20 0 FGADHM COCC[C@@H](OC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000826154929 607780175 /nfs/dbraw/zinc/78/01/75/607780175.db2.gz AUYOMWLPRLHDOV-IENJSVCTSA-N -1 3 364.405 3.201 20 0 FGADHM COCC[C@@H](OC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000826154929 607780176 /nfs/dbraw/zinc/78/01/76/607780176.db2.gz AUYOMWLPRLHDOV-IENJSVCTSA-N -1 3 364.405 3.201 20 0 FGADHM CC(C)=CCOc1cccc(C(=O)N(C)c2ccccc2-c2nnn[n-]2)c1 ZINC000824177357 607789681 /nfs/dbraw/zinc/78/96/81/607789681.db2.gz HJNGGGHDHFZCBD-UHFFFAOYSA-N -1 3 363.421 3.488 20 0 FGADHM CC(C)=CCOc1cccc(C(=O)N(C)c2ccccc2-c2nn[n-]n2)c1 ZINC000824177357 607789682 /nfs/dbraw/zinc/78/96/82/607789682.db2.gz HJNGGGHDHFZCBD-UHFFFAOYSA-N -1 3 363.421 3.488 20 0 FGADHM Cc1nnccc1C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000826338034 607794840 /nfs/dbraw/zinc/79/48/40/607794840.db2.gz IWSPCZWPJGVNQT-UHFFFAOYSA-N -1 3 373.376 3.010 20 0 FGADHM Cc1nnccc1C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000826338034 607794841 /nfs/dbraw/zinc/79/48/41/607794841.db2.gz IWSPCZWPJGVNQT-UHFFFAOYSA-N -1 3 373.376 3.010 20 0 FGADHM CCN(C(=O)Cc1cc(Cl)ccc1OC)c1ccc(-c2nnn[n-]2)cc1 ZINC000825376986 607796601 /nfs/dbraw/zinc/79/66/01/607796601.db2.gz QKSNOBMWWRZESS-UHFFFAOYSA-N -1 3 371.828 3.124 20 0 FGADHM CCN(C(=O)Cc1cc(Cl)ccc1OC)c1ccc(-c2nn[n-]n2)cc1 ZINC000825376986 607796602 /nfs/dbraw/zinc/79/66/02/607796602.db2.gz QKSNOBMWWRZESS-UHFFFAOYSA-N -1 3 371.828 3.124 20 0 FGADHM CCN(C(=O)c1cc(F)c(F)c(F)c1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000825379190 607797511 /nfs/dbraw/zinc/79/75/11/607797511.db2.gz BUCQMVQUEHFJFN-UHFFFAOYSA-N -1 3 365.290 3.090 20 0 FGADHM CCN(C(=O)c1cc(F)c(F)c(F)c1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000825379190 607797512 /nfs/dbraw/zinc/79/75/12/607797512.db2.gz BUCQMVQUEHFJFN-UHFFFAOYSA-N -1 3 365.290 3.090 20 0 FGADHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(N(C)CCc3nccs3)c2c1 ZINC000826263968 607810892 /nfs/dbraw/zinc/81/08/92/607810892.db2.gz XRQCVRGNCBYJIY-UHFFFAOYSA-N -1 3 365.466 3.167 20 0 FGADHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(N(C)CCc3nccs3)c2c1 ZINC000826263968 607810893 /nfs/dbraw/zinc/81/08/93/607810893.db2.gz XRQCVRGNCBYJIY-UHFFFAOYSA-N -1 3 365.466 3.167 20 0 FGADHM CCCC(CCC)SCCS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825242397 607816893 /nfs/dbraw/zinc/81/68/93/607816893.db2.gz QFEAZUGPRFRLJM-UHFFFAOYSA-N -1 3 368.528 3.342 20 0 FGADHM CCCC(CCC)SCCS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825242397 607816892 /nfs/dbraw/zinc/81/68/92/607816892.db2.gz QFEAZUGPRFRLJM-UHFFFAOYSA-N -1 3 368.528 3.342 20 0 FGADHM FC(F)(F)c1cc(N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)ccc1-c1nnn[n-]1 ZINC000826368627 607821933 /nfs/dbraw/zinc/82/19/33/607821933.db2.gz WZLYRDXYLZFRFV-YUTCNCBUSA-N -1 3 365.359 3.255 20 0 FGADHM FC(F)(F)c1cc(N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)ccc1-c1nn[n-]n1 ZINC000826368627 607821934 /nfs/dbraw/zinc/82/19/34/607821934.db2.gz WZLYRDXYLZFRFV-YUTCNCBUSA-N -1 3 365.359 3.255 20 0 FGADHM CC(C)(C)SCCCC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000824123623 607822226 /nfs/dbraw/zinc/82/22/26/607822226.db2.gz IOAJFUSRQAQJAL-UHFFFAOYSA-N -1 3 359.499 3.284 20 0 FGADHM CC(C)(C)SCCCC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000824123623 607822227 /nfs/dbraw/zinc/82/22/27/607822227.db2.gz IOAJFUSRQAQJAL-UHFFFAOYSA-N -1 3 359.499 3.284 20 0 FGADHM Cc1noc(C)c1[C@@H](C)CC(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826338403 607831061 /nfs/dbraw/zinc/83/10/61/607831061.db2.gz UQVIRQAXBJUPNW-CMPLNLGQSA-N -1 3 355.398 3.270 20 0 FGADHM Cc1noc(C)c1[C@@H](C)CC(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826338403 607831062 /nfs/dbraw/zinc/83/10/62/607831062.db2.gz UQVIRQAXBJUPNW-CMPLNLGQSA-N -1 3 355.398 3.270 20 0 FGADHM O=C(NCc1cccc(F)c1)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000826442664 607833579 /nfs/dbraw/zinc/83/35/79/607833579.db2.gz GBGXXWXRTGWGTC-UHFFFAOYSA-N -1 3 366.183 3.243 20 0 FGADHM O=C(NCc1cccc(F)c1)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000826442664 607833580 /nfs/dbraw/zinc/83/35/80/607833580.db2.gz GBGXXWXRTGWGTC-UHFFFAOYSA-N -1 3 366.183 3.243 20 0 FGADHM COc1cccc([C@H](OC(=O)c2cc(-c3nnn[n-]3)cn2C)C(C)(C)C)c1 ZINC000826215779 607836990 /nfs/dbraw/zinc/83/69/90/607836990.db2.gz YRHFNGUMNXKQHK-INIZCTEOSA-N -1 3 369.425 3.158 20 0 FGADHM COc1cccc([C@H](OC(=O)c2cc(-c3nn[n-]n3)cn2C)C(C)(C)C)c1 ZINC000826215779 607836991 /nfs/dbraw/zinc/83/69/91/607836991.db2.gz YRHFNGUMNXKQHK-INIZCTEOSA-N -1 3 369.425 3.158 20 0 FGADHM COc1ccc(C(=O)Oc2ccc(-c3nn[n-]n3)cc2)cc1-c1ccccn1 ZINC000826188525 607843867 /nfs/dbraw/zinc/84/38/67/607843867.db2.gz ZKRUANCORLWCSR-UHFFFAOYSA-N -1 3 373.372 3.157 20 0 FGADHM Cc1ccc(C(=O)OCc2cccc(-c3nnn[n-]3)c2)c(Br)c1 ZINC000826282309 607857562 /nfs/dbraw/zinc/85/75/62/607857562.db2.gz ILHJERJZEWXWND-UHFFFAOYSA-N -1 3 373.210 3.295 20 0 FGADHM Cc1ccc(C(=O)OCc2cccc(-c3nn[n-]n3)c2)c(Br)c1 ZINC000826282309 607857563 /nfs/dbraw/zinc/85/75/63/607857563.db2.gz ILHJERJZEWXWND-UHFFFAOYSA-N -1 3 373.210 3.295 20 0 FGADHM Cc1ccc(C(=O)N(C)c2ccccc2-c2nnn[n-]2)c(Br)c1 ZINC000826281542 607861721 /nfs/dbraw/zinc/86/17/21/607861721.db2.gz YCIIQLGGMITMAX-UHFFFAOYSA-N -1 3 372.226 3.214 20 0 FGADHM Cc1ccc(C(=O)N(C)c2ccccc2-c2nn[n-]n2)c(Br)c1 ZINC000826281542 607861722 /nfs/dbraw/zinc/86/17/22/607861722.db2.gz YCIIQLGGMITMAX-UHFFFAOYSA-N -1 3 372.226 3.214 20 0 FGADHM Cc1cc(Br)ccc1OC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000826256664 607862843 /nfs/dbraw/zinc/86/28/43/607862843.db2.gz UYDOYKVBRWKDEC-UHFFFAOYSA-N -1 3 373.210 3.086 20 0 FGADHM Cc1cc(Br)ccc1OC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826256664 607862844 /nfs/dbraw/zinc/86/28/44/607862844.db2.gz UYDOYKVBRWKDEC-UHFFFAOYSA-N -1 3 373.210 3.086 20 0 FGADHM OC1(COc2ccccc2Oc2ccc(-c3nnn[n-]3)cc2F)CCC1 ZINC000826506306 607877644 /nfs/dbraw/zinc/87/76/44/607877644.db2.gz RKTTURCEBJRNQD-UHFFFAOYSA-N -1 3 356.357 3.092 20 0 FGADHM OC1(COc2ccccc2Oc2ccc(-c3nn[n-]n3)cc2F)CCC1 ZINC000826506306 607877645 /nfs/dbraw/zinc/87/76/45/607877645.db2.gz RKTTURCEBJRNQD-UHFFFAOYSA-N -1 3 356.357 3.092 20 0 FGADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)O[C@@H](C(C)(C)C)C(F)(F)F ZINC000824755833 607877772 /nfs/dbraw/zinc/87/77/72/607877772.db2.gz LOXNLGUUMYKEOK-OTYXRUKQSA-N -1 3 372.347 3.154 20 0 FGADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)O[C@@H](C(C)(C)C)C(F)(F)F ZINC000824755833 607877773 /nfs/dbraw/zinc/87/77/73/607877773.db2.gz LOXNLGUUMYKEOK-OTYXRUKQSA-N -1 3 372.347 3.154 20 0 FGADHM C[C@H](Cc1cccc(Cl)c1)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000824457241 607894412 /nfs/dbraw/zinc/89/44/12/607894412.db2.gz HYPOGAYXLPWDKP-LLVKDONJSA-N -1 3 373.819 3.154 20 0 FGADHM C[C@H](Cc1cccc(Cl)c1)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000824457241 607894413 /nfs/dbraw/zinc/89/44/13/607894413.db2.gz HYPOGAYXLPWDKP-LLVKDONJSA-N -1 3 373.819 3.154 20 0 FGADHM S=C(Nc1cccc(Cl)c1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826512385 607930668 /nfs/dbraw/zinc/93/06/68/607930668.db2.gz YYKSKLNTJUZECN-UHFFFAOYSA-N -1 3 356.842 3.280 20 0 FGADHM S=C(Nc1cccc(Cl)c1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826512385 607930669 /nfs/dbraw/zinc/93/06/69/607930669.db2.gz YYKSKLNTJUZECN-UHFFFAOYSA-N -1 3 356.842 3.280 20 0 FGADHM CCC(=O)c1cc(C(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)ccc1F ZINC000825034142 607931498 /nfs/dbraw/zinc/93/14/98/607931498.db2.gz DTCJWHCSNJTLCE-NSHDSACASA-N -1 3 367.384 3.090 20 0 FGADHM CCC(=O)c1cc(C(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)ccc1F ZINC000825034142 607931499 /nfs/dbraw/zinc/93/14/99/607931499.db2.gz DTCJWHCSNJTLCE-NSHDSACASA-N -1 3 367.384 3.090 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc(Br)c(C)c1 ZINC000826260583 607936562 /nfs/dbraw/zinc/93/65/62/607936562.db2.gz VTGYORDMBYOBJX-UHFFFAOYSA-N -1 3 372.226 3.498 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(Br)c(C)c1 ZINC000826260583 607936563 /nfs/dbraw/zinc/93/65/63/607936563.db2.gz VTGYORDMBYOBJX-UHFFFAOYSA-N -1 3 372.226 3.498 20 0 FGADHM O=C(CCc1ccccc1Cl)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826409063 607945845 /nfs/dbraw/zinc/94/58/45/607945845.db2.gz GZGSQOOPIMPYJI-UHFFFAOYSA-N -1 3 353.813 3.042 20 0 FGADHM O=C(CCc1ccccc1Cl)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826409063 607945846 /nfs/dbraw/zinc/94/58/46/607945846.db2.gz GZGSQOOPIMPYJI-UHFFFAOYSA-N -1 3 353.813 3.042 20 0 FGADHM C[C@@H](CSc1ccccc1)C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000824447924 607949855 /nfs/dbraw/zinc/94/98/55/607949855.db2.gz DMSHIYWMFDRHNF-ZDUSSCGKSA-N -1 3 365.462 3.184 20 0 FGADHM C[C@@H](CSc1ccccc1)C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000824447924 607949856 /nfs/dbraw/zinc/94/98/56/607949856.db2.gz DMSHIYWMFDRHNF-ZDUSSCGKSA-N -1 3 365.462 3.184 20 0 FGADHM CC(C)(C)Oc1ccc(C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)cc1 ZINC000824120117 607951453 /nfs/dbraw/zinc/95/14/53/607951453.db2.gz YXTKQFXUYXQUQB-UHFFFAOYSA-N -1 3 363.421 3.247 20 0 FGADHM CC(C)(C)Oc1ccc(C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)cc1 ZINC000824120117 607951454 /nfs/dbraw/zinc/95/14/54/607951454.db2.gz YXTKQFXUYXQUQB-UHFFFAOYSA-N -1 3 363.421 3.247 20 0 FGADHM Cc1ccc(SCCC(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)cc1 ZINC000826293068 607952671 /nfs/dbraw/zinc/95/26/71/607952671.db2.gz ZHAFKDPHJQNFQK-UHFFFAOYSA-N -1 3 365.462 3.247 20 0 FGADHM Cc1ccc(SCCC(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)cc1 ZINC000826293068 607952672 /nfs/dbraw/zinc/95/26/72/607952672.db2.gz ZHAFKDPHJQNFQK-UHFFFAOYSA-N -1 3 365.462 3.247 20 0 FGADHM O=C(c1cc2sccc2s1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826471141 607953653 /nfs/dbraw/zinc/95/36/53/607953653.db2.gz OICJOMUFPGMAGS-UHFFFAOYSA-N -1 3 353.432 3.346 20 0 FGADHM O=C(c1cc2sccc2s1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826471141 607953654 /nfs/dbraw/zinc/95/36/54/607953654.db2.gz OICJOMUFPGMAGS-UHFFFAOYSA-N -1 3 353.432 3.346 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N1CCc2c(F)cccc2C1 ZINC000826453155 607962176 /nfs/dbraw/zinc/96/21/76/607962176.db2.gz YIGYOAKQIWOCOG-UHFFFAOYSA-N -1 3 372.791 3.249 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N1CCc2c(F)cccc2C1 ZINC000826453155 607962177 /nfs/dbraw/zinc/96/21/77/607962177.db2.gz YIGYOAKQIWOCOG-UHFFFAOYSA-N -1 3 372.791 3.249 20 0 FGADHM CCc1nc2sccc2c(Oc2ccc(-c3nnn[n-]3)cc2OC)n1 ZINC000825749663 607964953 /nfs/dbraw/zinc/96/49/53/607964953.db2.gz FIHVMZZODFMDRT-UHFFFAOYSA-N -1 3 354.395 3.235 20 0 FGADHM CCc1nc2sccc2c(Oc2ccc(-c3nn[n-]n3)cc2OC)n1 ZINC000825749663 607964954 /nfs/dbraw/zinc/96/49/54/607964954.db2.gz FIHVMZZODFMDRT-UHFFFAOYSA-N -1 3 354.395 3.235 20 0 FGADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(N[C@H](c2cccnc2)C2CC2)n1 ZINC000826368175 607968977 /nfs/dbraw/zinc/96/89/77/607968977.db2.gz FPAQLYIAIWSRNK-ZDUSSCGKSA-N -1 3 361.331 3.239 20 0 FGADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(N[C@H](c2cccnc2)C2CC2)n1 ZINC000826368175 607968978 /nfs/dbraw/zinc/96/89/78/607968978.db2.gz FPAQLYIAIWSRNK-ZDUSSCGKSA-N -1 3 361.331 3.239 20 0 FGADHM COC1CCC(CC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(C)C)CC1 ZINC000826144952 607978759 /nfs/dbraw/zinc/97/87/59/607978759.db2.gz WOPIJEALEVVYEV-UHFFFAOYSA-N -1 3 373.457 3.188 20 0 FGADHM COC1CCC(CC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(C)C)CC1 ZINC000826144952 607978760 /nfs/dbraw/zinc/97/87/60/607978760.db2.gz WOPIJEALEVVYEV-UHFFFAOYSA-N -1 3 373.457 3.188 20 0 FGADHM CC(C)(C)C1=CCN(C(=O)CSCc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824070832 608003594 /nfs/dbraw/zinc/00/35/94/608003594.db2.gz DDKZPTVPCXFVHE-UHFFFAOYSA-N -1 3 371.510 3.305 20 0 FGADHM CC(C)(C)C1=CCN(C(=O)CSCc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824070832 608003595 /nfs/dbraw/zinc/00/35/95/608003595.db2.gz DDKZPTVPCXFVHE-UHFFFAOYSA-N -1 3 371.510 3.305 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1NC1CCC(OC(=O)C2CC=CC2)CC1 ZINC000826254231 608012340 /nfs/dbraw/zinc/01/23/40/608012340.db2.gz AIVHQSGGGFQVMY-UHFFFAOYSA-N -1 3 367.453 3.408 20 0 FGADHM COc1ccccc1[C@@H](NCc1ccc(-c2nnn[n-]2)cc1)c1ccccn1 ZINC000826219239 608027330 /nfs/dbraw/zinc/02/73/30/608027330.db2.gz WJLREGVAIVGTTJ-HXUWFJFHSA-N -1 3 372.432 3.150 20 0 FGADHM COc1ccccc1[C@@H](NCc1ccc(-c2nn[n-]n2)cc1)c1ccccn1 ZINC000826219239 608027331 /nfs/dbraw/zinc/02/73/31/608027331.db2.gz WJLREGVAIVGTTJ-HXUWFJFHSA-N -1 3 372.432 3.150 20 0 FGADHM O=C(COC(=O)c1cccc(-c2ccoc2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826416207 608030109 /nfs/dbraw/zinc/03/01/09/608030109.db2.gz NQBFJZJCWZALKR-UHFFFAOYSA-N -1 3 374.356 3.166 20 0 FGADHM O=C(COC(=O)c1cccc(-c2ccoc2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826416207 608030110 /nfs/dbraw/zinc/03/01/10/608030110.db2.gz NQBFJZJCWZALKR-UHFFFAOYSA-N -1 3 374.356 3.166 20 0 FGADHM C[C@@H](NC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccc[nH]1 ZINC000824505869 608031750 /nfs/dbraw/zinc/03/17/50/608031750.db2.gz IRGIJIHGXSNUJO-MRVPVSSYSA-N -1 3 365.319 3.096 20 0 FGADHM C[C@@H](NC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccc[nH]1 ZINC000824505869 608031751 /nfs/dbraw/zinc/03/17/51/608031751.db2.gz IRGIJIHGXSNUJO-MRVPVSSYSA-N -1 3 365.319 3.096 20 0 FGADHM Cc1cc2c(ncnc2SCCOc2ccccc2-c2nnn[n-]2)s1 ZINC000826273115 608055672 /nfs/dbraw/zinc/05/56/72/608055672.db2.gz QDWZVHZCNCNMPK-UHFFFAOYSA-N -1 3 370.463 3.351 20 0 FGADHM Cc1cc2c(ncnc2SCCOc2ccccc2-c2nn[n-]n2)s1 ZINC000826273115 608055673 /nfs/dbraw/zinc/05/56/73/608055673.db2.gz QDWZVHZCNCNMPK-UHFFFAOYSA-N -1 3 370.463 3.351 20 0 FGADHM Fc1cc(OCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)ccc1Cl ZINC000826372987 608055974 /nfs/dbraw/zinc/05/59/74/608055974.db2.gz UWFBYSLSYPYGDL-UHFFFAOYSA-N -1 3 372.747 3.288 20 0 FGADHM Fc1cc(OCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)ccc1Cl ZINC000826372987 608055975 /nfs/dbraw/zinc/05/59/75/608055975.db2.gz UWFBYSLSYPYGDL-UHFFFAOYSA-N -1 3 372.747 3.288 20 0 FGADHM CC(C)c1ccc2c(c1)[C@H](NC(=O)c1ccc(-c3nnn[n-]3)cn1)CCC2 ZINC000824347587 608103135 /nfs/dbraw/zinc/10/31/35/608103135.db2.gz FTRYNRDSKGBCBU-QGZVFWFLSA-N -1 3 362.437 3.193 20 0 FGADHM CC(C)c1ccc2c(c1)[C@H](NC(=O)c1ccc(-c3nn[n-]n3)cn1)CCC2 ZINC000824347587 608103136 /nfs/dbraw/zinc/10/31/36/608103136.db2.gz FTRYNRDSKGBCBU-QGZVFWFLSA-N -1 3 362.437 3.193 20 0 FGADHM O=C(NCC1(c2ccccc2Cl)CC1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000826434836 608112652 /nfs/dbraw/zinc/11/26/52/608112652.db2.gz ZJOXEHXUNMRTFI-UHFFFAOYSA-N -1 3 368.828 3.373 20 0 FGADHM O=C(NCC1(c2ccccc2Cl)CC1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000826434836 608112653 /nfs/dbraw/zinc/11/26/53/608112653.db2.gz ZJOXEHXUNMRTFI-UHFFFAOYSA-N -1 3 368.828 3.373 20 0 FGADHM C[C@@H](NC(=O)c1cc(F)c(Cl)cc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000824514002 608114292 /nfs/dbraw/zinc/11/42/92/608114292.db2.gz LKCSNRYZCGLEFU-MRVPVSSYSA-N -1 3 363.755 3.289 20 0 FGADHM C[C@@H](NC(=O)c1cc(F)c(Cl)cc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000824514002 608114293 /nfs/dbraw/zinc/11/42/93/608114293.db2.gz LKCSNRYZCGLEFU-MRVPVSSYSA-N -1 3 363.755 3.289 20 0 FGADHM CCC[C@@H](C(=O)OCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)C(C)C ZINC000825225682 608118214 /nfs/dbraw/zinc/11/82/14/608118214.db2.gz WHYVGVKLDLRKNC-CQSZACIVSA-N -1 3 370.413 3.032 20 0 FGADHM CCC[C@@H](C(=O)OCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)C(C)C ZINC000825225682 608118215 /nfs/dbraw/zinc/11/82/15/608118215.db2.gz WHYVGVKLDLRKNC-CQSZACIVSA-N -1 3 370.413 3.032 20 0 FGADHM CC(C)c1cc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CC[C@@H](C)C3)no1 ZINC000824967240 608122311 /nfs/dbraw/zinc/12/23/11/608122311.db2.gz IPEACBWHDPOGMP-SECBINFHSA-N -1 3 372.454 3.417 20 0 FGADHM CC(C)c1cc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CC[C@@H](C)C3)no1 ZINC000824967240 608122312 /nfs/dbraw/zinc/12/23/12/608122312.db2.gz IPEACBWHDPOGMP-SECBINFHSA-N -1 3 372.454 3.417 20 0 FGADHM C[C@H](C[C@H](O)c1ccco1)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000824390769 608123101 /nfs/dbraw/zinc/12/31/01/608123101.db2.gz DFZVWFUMMKOLLH-RNCFNFMXSA-N -1 3 367.331 3.403 20 0 FGADHM C[C@H](C[C@H](O)c1ccco1)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000824390769 608123102 /nfs/dbraw/zinc/12/31/02/608123102.db2.gz DFZVWFUMMKOLLH-RNCFNFMXSA-N -1 3 367.331 3.403 20 0 FGADHM CC(C)(C)[C@@H]1C[C@H](Nc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)CCO1 ZINC000824079944 608149727 /nfs/dbraw/zinc/14/97/27/608149727.db2.gz SXXOPTQBBNMQER-SKDRFNHKSA-N -1 3 370.379 3.286 20 0 FGADHM CC(C)(C)[C@@H]1C[C@H](Nc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)CCO1 ZINC000824079944 608149728 /nfs/dbraw/zinc/14/97/28/608149728.db2.gz SXXOPTQBBNMQER-SKDRFNHKSA-N -1 3 370.379 3.286 20 0 FGADHM CC(C)(C)[C@@H]1C[C@@H](Nc2cc(-c3nnn[n-]3)c3ccccc3n2)CCO1 ZINC000824079263 608149806 /nfs/dbraw/zinc/14/98/06/608149806.db2.gz NYMVRIAGSIAEOD-LRDDRELGSA-N -1 3 352.442 3.421 20 0 FGADHM CC(C)(C)[C@@H]1C[C@@H](Nc2cc(-c3nn[n-]n3)c3ccccc3n2)CCO1 ZINC000824079263 608149807 /nfs/dbraw/zinc/14/98/07/608149807.db2.gz NYMVRIAGSIAEOD-LRDDRELGSA-N -1 3 352.442 3.421 20 0 FGADHM C=Cc1cc(OC)c(OCc2cc(-c3nnn[n-]3)ccc2OC)c(OC)c1 ZINC000823937480 608152756 /nfs/dbraw/zinc/15/27/56/608152756.db2.gz ZQRZTQXZAGXKTH-UHFFFAOYSA-N -1 3 368.393 3.115 20 0 FGADHM C=Cc1cc(OC)c(OCc2cc(-c3nn[n-]n3)ccc2OC)c(OC)c1 ZINC000823937480 608152757 /nfs/dbraw/zinc/15/27/57/608152757.db2.gz ZQRZTQXZAGXKTH-UHFFFAOYSA-N -1 3 368.393 3.115 20 0 FGADHM C[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000825015134 608155076 /nfs/dbraw/zinc/15/50/76/608155076.db2.gz ZYUNNTFJBBZPEA-SJCJKPOMSA-N -1 3 365.393 3.023 20 0 FGADHM C[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825015134 608155078 /nfs/dbraw/zinc/15/50/78/608155078.db2.gz ZYUNNTFJBBZPEA-SJCJKPOMSA-N -1 3 365.393 3.023 20 0 FGADHM Cc1cccc(C2=CCN(C(=O)c3ccc(-c4nnn[n-]4)cc3C)CC2)c1 ZINC000826297296 608163717 /nfs/dbraw/zinc/16/37/17/608163717.db2.gz AVNVKCJHSDBNLH-UHFFFAOYSA-N -1 3 359.433 3.413 20 0 FGADHM Cc1cccc(C2=CCN(C(=O)c3ccc(-c4nn[n-]n4)cc3C)CC2)c1 ZINC000826297296 608163719 /nfs/dbraw/zinc/16/37/19/608163719.db2.gz AVNVKCJHSDBNLH-UHFFFAOYSA-N -1 3 359.433 3.413 20 0 FGADHM CCCC(=CC(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1)CCC ZINC000825220583 608168582 /nfs/dbraw/zinc/16/85/82/608168582.db2.gz UVIVANVSFLRHRA-SFHVURJKSA-N -1 3 369.469 3.293 20 0 FGADHM CCCC(=CC(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1)CCC ZINC000825220583 608168584 /nfs/dbraw/zinc/16/85/84/608168584.db2.gz UVIVANVSFLRHRA-SFHVURJKSA-N -1 3 369.469 3.293 20 0 FGADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)c1coc2ccccc12 ZINC000825796723 608174639 /nfs/dbraw/zinc/17/46/39/608174639.db2.gz KLFQEZLNHOWSJR-UHFFFAOYSA-N -1 3 373.376 3.235 20 0 FGADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)c1coc2ccccc12 ZINC000825796723 608174640 /nfs/dbraw/zinc/17/46/40/608174640.db2.gz KLFQEZLNHOWSJR-UHFFFAOYSA-N -1 3 373.376 3.235 20 0 FGADHM CSc1nc2ncnc(Sc3ccc(-c4nnn[n-]4)cc3)c2s1 ZINC000826231784 608179171 /nfs/dbraw/zinc/17/91/71/608179171.db2.gz ZJADELSPUCAQMZ-UHFFFAOYSA-N -1 3 359.465 3.140 20 0 FGADHM CSc1nc2ncnc(Sc3ccc(-c4nn[n-]n4)cc3)c2s1 ZINC000826231784 608179172 /nfs/dbraw/zinc/17/91/72/608179172.db2.gz ZJADELSPUCAQMZ-UHFFFAOYSA-N -1 3 359.465 3.140 20 0 FGADHM C[C@@H](OC(=O)C1(c2ccccc2F)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000824715748 608183536 /nfs/dbraw/zinc/18/35/36/608183536.db2.gz UUMKGVUOYLYOGN-GFCCVEGCSA-N -1 3 352.369 3.342 20 0 FGADHM C[C@@H](OC(=O)C1(c2ccccc2F)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000824715748 608183537 /nfs/dbraw/zinc/18/35/37/608183537.db2.gz UUMKGVUOYLYOGN-GFCCVEGCSA-N -1 3 352.369 3.342 20 0 FGADHM Cc1cccc(C2=CCN(c3nc4c(cc3-c3nnn[n-]3)CCC4)CC2)c1 ZINC000826297559 608194209 /nfs/dbraw/zinc/19/42/09/608194209.db2.gz LJRAPGOGSOUZPR-UHFFFAOYSA-N -1 3 358.449 3.353 20 0 FGADHM Cc1cccc(C2=CCN(c3nc4c(cc3-c3nn[n-]n3)CCC4)CC2)c1 ZINC000826297559 608194211 /nfs/dbraw/zinc/19/42/11/608194211.db2.gz LJRAPGOGSOUZPR-UHFFFAOYSA-N -1 3 358.449 3.353 20 0 FGADHM C[C@H](Nc1ccc2cc(-c3nnn[n-]3)ccc2n1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000824657116 608223277 /nfs/dbraw/zinc/22/32/77/608223277.db2.gz OHPPIZCRJXDPMA-JTQLQIEISA-N -1 3 372.392 3.170 20 0 FGADHM C[C@H](Nc1ccc2cc(-c3nn[n-]n3)ccc2n1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000824657116 608223278 /nfs/dbraw/zinc/22/32/78/608223278.db2.gz OHPPIZCRJXDPMA-JTQLQIEISA-N -1 3 372.392 3.170 20 0 FGADHM C[C@H](C[C@@H](O)c1ccccc1)Nc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000824390508 608233484 /nfs/dbraw/zinc/23/34/84/608233484.db2.gz ASDIEYQWIZWELG-FZKQIMNGSA-N -1 3 360.421 3.339 20 0 FGADHM C[C@H](C[C@@H](O)c1ccccc1)Nc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000824390508 608233486 /nfs/dbraw/zinc/23/34/86/608233486.db2.gz ASDIEYQWIZWELG-FZKQIMNGSA-N -1 3 360.421 3.339 20 0 FGADHM C[C@@H](C(=O)Oc1ccc(-c2nnn[n-]2)cc1)c1ccc(Br)cc1 ZINC000824053470 608260147 /nfs/dbraw/zinc/26/01/47/608260147.db2.gz ZIORKTRLXLLJQK-SNVBAGLBSA-N -1 3 373.210 3.338 20 0 FGADHM C[C@@H](C(=O)Oc1ccc(-c2nn[n-]n2)cc1)c1ccc(Br)cc1 ZINC000824053470 608260149 /nfs/dbraw/zinc/26/01/49/608260149.db2.gz ZIORKTRLXLLJQK-SNVBAGLBSA-N -1 3 373.210 3.338 20 0 FGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CC[C@@H](C)[C@@H](C)C1 ZINC000824319162 608268616 /nfs/dbraw/zinc/26/86/16/608268616.db2.gz HXOVBTBIAOXLQW-OLZOCXBDSA-N -1 3 358.446 3.164 20 0 FGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CC[C@@H](C)[C@@H](C)C1 ZINC000824319162 608268618 /nfs/dbraw/zinc/26/86/18/608268618.db2.gz HXOVBTBIAOXLQW-OLZOCXBDSA-N -1 3 358.446 3.164 20 0 FGADHM CC[C@H](OC(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1cc(C)ccc1OC ZINC000825153740 608272472 /nfs/dbraw/zinc/27/24/72/608272472.db2.gz JCHPOCXAIINTGM-KRWDZBQOSA-N -1 3 366.421 3.421 20 0 FGADHM CC[C@H](OC(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1cc(C)ccc1OC ZINC000825153740 608272473 /nfs/dbraw/zinc/27/24/73/608272473.db2.gz JCHPOCXAIINTGM-KRWDZBQOSA-N -1 3 366.421 3.421 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)c(NCCc2coc(-c3ccc(F)cc3)n2)n1 ZINC000826276733 608282208 /nfs/dbraw/zinc/28/22/08/608282208.db2.gz UFUCDWCWERNJQG-UHFFFAOYSA-N -1 3 365.372 3.019 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)c(NCCc2coc(-c3ccc(F)cc3)n2)n1 ZINC000826276733 608282210 /nfs/dbraw/zinc/28/22/10/608282210.db2.gz UFUCDWCWERNJQG-UHFFFAOYSA-N -1 3 365.372 3.019 20 0 FGADHM Cn1c2cccc(Br)c2nc1-c1ccc(-c2nnn[n-]2)cc1F ZINC000826354802 608288231 /nfs/dbraw/zinc/28/82/31/608288231.db2.gz VQENOAZZUCIUBR-UHFFFAOYSA-N -1 3 373.189 3.322 20 0 FGADHM Cn1c2cccc(Br)c2nc1-c1ccc(-c2nn[n-]n2)cc1F ZINC000826354802 608288232 /nfs/dbraw/zinc/28/82/32/608288232.db2.gz VQENOAZZUCIUBR-UHFFFAOYSA-N -1 3 373.189 3.322 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)c(NC[C@H](O)c2c(Cl)cccc2Cl)n1 ZINC000826275933 608290477 /nfs/dbraw/zinc/29/04/77/608290477.db2.gz OUKRLBBNYXLRIH-LBPRGKRZSA-N -1 3 365.224 3.022 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)c(NC[C@H](O)c2c(Cl)cccc2Cl)n1 ZINC000826275933 608290478 /nfs/dbraw/zinc/29/04/78/608290478.db2.gz OUKRLBBNYXLRIH-LBPRGKRZSA-N -1 3 365.224 3.022 20 0 FGADHM CC(C)(C)OC(=O)CCCCNc1c(Cl)cccc1-c1nnn[n-]1 ZINC000824100855 608295631 /nfs/dbraw/zinc/29/56/31/608295631.db2.gz YZYKQHOPTKEZOB-UHFFFAOYSA-N -1 3 351.838 3.444 20 0 FGADHM CC(C)(C)OC(=O)CCCCNc1c(Cl)cccc1-c1nn[n-]n1 ZINC000824100855 608295633 /nfs/dbraw/zinc/29/56/33/608295633.db2.gz YZYKQHOPTKEZOB-UHFFFAOYSA-N -1 3 351.838 3.444 20 0 FGADHM c1cc2nc(N3CCC[C@H](C[C@@H]4CCOC4)C3)ccc2cc1-c1nnn[n-]1 ZINC000826518275 608296814 /nfs/dbraw/zinc/29/68/14/608296814.db2.gz IGAFQYPPRNOUFR-CABCVRRESA-N -1 3 364.453 3.058 20 0 FGADHM c1cc2nc(N3CCC[C@H](C[C@@H]4CCOC4)C3)ccc2cc1-c1nn[n-]n1 ZINC000826518275 608296816 /nfs/dbraw/zinc/29/68/16/608296816.db2.gz IGAFQYPPRNOUFR-CABCVRRESA-N -1 3 364.453 3.058 20 0 FGADHM Cc1cc(C[C@@H](C)Nc2nc(C)ccc2-c2nnn[n-]2)n(-c2ccccc2)n1 ZINC000826275373 608298393 /nfs/dbraw/zinc/29/83/93/608298393.db2.gz XXLUOOBUFQSTHV-CQSZACIVSA-N -1 3 374.452 3.107 20 0 FGADHM Cc1cc(C[C@@H](C)Nc2nc(C)ccc2-c2nn[n-]n2)n(-c2ccccc2)n1 ZINC000826275373 608298395 /nfs/dbraw/zinc/29/83/95/608298395.db2.gz XXLUOOBUFQSTHV-CQSZACIVSA-N -1 3 374.452 3.107 20 0 FGADHM CS[C@H](C)CCC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC000826225884 608300999 /nfs/dbraw/zinc/30/09/99/608300999.db2.gz MVNHMDAQLGGTJS-CQSZACIVSA-N -1 3 361.515 3.383 20 0 FGADHM CS[C@H](C)CCC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC000826225884 608301001 /nfs/dbraw/zinc/30/10/01/608301001.db2.gz MVNHMDAQLGGTJS-CQSZACIVSA-N -1 3 361.515 3.383 20 0 FGADHM O=C(NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)Nc1cccnc1 ZINC000826440790 608301772 /nfs/dbraw/zinc/30/17/72/608301772.db2.gz ALYDMSGRYMQRPM-UHFFFAOYSA-N -1 3 371.404 3.250 20 0 FGADHM O=C(NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)Nc1cccnc1 ZINC000826440790 608301774 /nfs/dbraw/zinc/30/17/74/608301774.db2.gz ALYDMSGRYMQRPM-UHFFFAOYSA-N -1 3 371.404 3.250 20 0 FGADHM Cc1ccc(C(=O)NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)n1C ZINC000826281649 608305233 /nfs/dbraw/zinc/30/52/33/608305233.db2.gz CXXMJAIOZQSHDS-UHFFFAOYSA-N -1 3 372.432 3.111 20 0 FGADHM Cc1ccc(C(=O)NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)n1C ZINC000826281649 608305235 /nfs/dbraw/zinc/30/52/35/608305235.db2.gz CXXMJAIOZQSHDS-UHFFFAOYSA-N -1 3 372.432 3.111 20 0 FGADHM CC(C)Cn1ncc(NC(=O)Cc2cccc(-c3nnn[n-]3)c2)c1C(C)C ZINC000824285037 608312125 /nfs/dbraw/zinc/31/21/25/608312125.db2.gz UNADNECXNYSQOU-UHFFFAOYSA-N -1 3 367.457 3.024 20 0 FGADHM CC(C)Cn1ncc(NC(=O)Cc2cccc(-c3nn[n-]n3)c2)c1C(C)C ZINC000824285037 608312126 /nfs/dbraw/zinc/31/21/26/608312126.db2.gz UNADNECXNYSQOU-UHFFFAOYSA-N -1 3 367.457 3.024 20 0 FGADHM Cc1ccncc1[C@H](C)OC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000826315775 608334430 /nfs/dbraw/zinc/33/44/30/608334430.db2.gz SVLBWRAZCYJXDA-ZDUSSCGKSA-N -1 3 369.450 3.108 20 0 FGADHM Cc1ccncc1[C@H](C)OC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000826315775 608334431 /nfs/dbraw/zinc/33/44/31/608334431.db2.gz SVLBWRAZCYJXDA-ZDUSSCGKSA-N -1 3 369.450 3.108 20 0 FGADHM Cc1ccncc1[C@H](C)OC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000826315711 608334649 /nfs/dbraw/zinc/33/46/49/608334649.db2.gz QXZOFPHSVPWHKX-ZDUSSCGKSA-N -1 3 367.409 3.032 20 0 FGADHM CCc1c(C)sc(NC(=O)c2cnn3ccc(C)cc23)c1-c1nnn[n-]1 ZINC000825687973 608340538 /nfs/dbraw/zinc/34/05/38/608340538.db2.gz PDCNMGMHCSYQAP-UHFFFAOYSA-N -1 3 367.438 3.007 20 0 FGADHM CCc1c(C)sc(NC(=O)c2cnn3ccc(C)cc23)c1-c1nn[n-]n1 ZINC000825687973 608340540 /nfs/dbraw/zinc/34/05/40/608340540.db2.gz PDCNMGMHCSYQAP-UHFFFAOYSA-N -1 3 367.438 3.007 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)C[C@H](C)c1cccc(F)c1 ZINC000826171209 608360301 /nfs/dbraw/zinc/36/03/01/608360301.db2.gz HDQWVQWUFWZHLV-LBPRGKRZSA-N -1 3 370.384 3.251 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)C[C@H](C)c1cccc(F)c1 ZINC000826171209 608360303 /nfs/dbraw/zinc/36/03/03/608360303.db2.gz HDQWVQWUFWZHLV-LBPRGKRZSA-N -1 3 370.384 3.251 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1CN[C@H](c1ccccc1)C(F)(F)F ZINC000826170389 608371169 /nfs/dbraw/zinc/37/11/69/608371169.db2.gz YOODWFCEOBKRNE-OAHLLOKOSA-N -1 3 363.343 3.269 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1CN[C@H](c1ccccc1)C(F)(F)F ZINC000826170389 608371171 /nfs/dbraw/zinc/37/11/71/608371171.db2.gz YOODWFCEOBKRNE-OAHLLOKOSA-N -1 3 363.343 3.269 20 0 FGADHM O=C1Nc2cc(Br)ccc2C1=Cc1ccc(-c2nnn[n-]2)cc1 ZINC000826483205 608387888 /nfs/dbraw/zinc/38/78/88/608387888.db2.gz FMHACZDHOXPJKS-QPEQYQDCSA-N -1 3 368.194 3.122 20 0 FGADHM O=C1Nc2cc(Br)ccc2C1=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826483205 608387890 /nfs/dbraw/zinc/38/78/90/608387890.db2.gz FMHACZDHOXPJKS-QPEQYQDCSA-N -1 3 368.194 3.122 20 0 FGADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)c1cc(F)cc2cccnc21 ZINC000826453792 608407186 /nfs/dbraw/zinc/40/71/86/608407186.db2.gz ZUSJEDJVUYXCSD-UHFFFAOYSA-N -1 3 368.759 3.460 20 0 FGADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)c1cc(F)cc2cccnc21 ZINC000826453792 608407187 /nfs/dbraw/zinc/40/71/87/608407187.db2.gz ZUSJEDJVUYXCSD-UHFFFAOYSA-N -1 3 368.759 3.460 20 0 FGADHM COc1cccc2cc(C(=O)OCc3cccc(-c4nnn[n-]4)c3F)oc21 ZINC000826218279 608441239 /nfs/dbraw/zinc/44/12/39/608441239.db2.gz XBBZJOKZERRRHH-UHFFFAOYSA-N -1 3 368.324 3.118 20 0 FGADHM COc1cccc2cc(C(=O)OCc3cccc(-c4nn[n-]n4)c3F)oc21 ZINC000826218279 608441241 /nfs/dbraw/zinc/44/12/41/608441241.db2.gz XBBZJOKZERRRHH-UHFFFAOYSA-N -1 3 368.324 3.118 20 0 FGADHM CC(C)c1noc([C@@H](C)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)n1 ZINC000824364476 608460075 /nfs/dbraw/zinc/46/00/75/608460075.db2.gz IHNVMMSJBIZHIJ-CYBMUJFWSA-N -1 3 365.441 3.223 20 0 FGADHM CC(C)c1noc([C@@H](C)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)n1 ZINC000824364476 608460077 /nfs/dbraw/zinc/46/00/77/608460077.db2.gz IHNVMMSJBIZHIJ-CYBMUJFWSA-N -1 3 365.441 3.223 20 0 FGADHM CC(C)c1cccc(C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)n1 ZINC000824347845 608479726 /nfs/dbraw/zinc/47/97/26/608479726.db2.gz PKABBWORZKRNCU-UHFFFAOYSA-N -1 3 374.448 3.315 20 0 FGADHM CC(C)c1cccc(C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)n1 ZINC000824347845 608479728 /nfs/dbraw/zinc/47/97/28/608479728.db2.gz PKABBWORZKRNCU-UHFFFAOYSA-N -1 3 374.448 3.315 20 0 FGADHM Cc1ccc(CCC(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)o1 ZINC000826287084 608482216 /nfs/dbraw/zinc/48/22/16/608482216.db2.gz BYBOSODZNBXVAH-UHFFFAOYSA-N -1 3 363.421 3.017 20 0 FGADHM Cc1ccc(CCC(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)o1 ZINC000826287084 608482217 /nfs/dbraw/zinc/48/22/17/608482217.db2.gz BYBOSODZNBXVAH-UHFFFAOYSA-N -1 3 363.421 3.017 20 0 FGADHM O=C(c1cc2ccccc2[nH]1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826470465 608484300 /nfs/dbraw/zinc/48/43/00/608484300.db2.gz QTHBVTUUQCIKBT-UHFFFAOYSA-N -1 3 370.416 3.278 20 0 FGADHM O=C(c1cc2ccccc2[nH]1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826470465 608484302 /nfs/dbraw/zinc/48/43/02/608484302.db2.gz QTHBVTUUQCIKBT-UHFFFAOYSA-N -1 3 370.416 3.278 20 0 FGADHM CC(C)CC[C@@H](C)NC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824245260 608489593 /nfs/dbraw/zinc/48/95/93/608489593.db2.gz XBBYVIJCKMPLDK-OAHLLOKOSA-N -1 3 368.485 3.490 20 0 FGADHM CC(C)CC[C@@H](C)NC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824245260 608489595 /nfs/dbraw/zinc/48/95/95/608489595.db2.gz XBBYVIJCKMPLDK-OAHLLOKOSA-N -1 3 368.485 3.490 20 0 FGADHM Cc1ccc(-c2nnc(CN[C@@H](C)c3cccc(-c4nnn[n-]4)c3)o2)cc1 ZINC000826273478 608491265 /nfs/dbraw/zinc/49/12/65/608491265.db2.gz GFMRFAZXDPUOKT-ZDUSSCGKSA-N -1 3 361.409 3.076 20 0 FGADHM Cc1ccc(-c2nnc(CN[C@@H](C)c3cccc(-c4nn[n-]n4)c3)o2)cc1 ZINC000826273478 608491266 /nfs/dbraw/zinc/49/12/66/608491266.db2.gz GFMRFAZXDPUOKT-ZDUSSCGKSA-N -1 3 361.409 3.076 20 0 FGADHM FC(F)Oc1cc(-c2nnn[n-]2)ccc1CNc1ccc2c(c1)COC2 ZINC000826369403 608542665 /nfs/dbraw/zinc/54/26/65/608542665.db2.gz AUYZKAXCDBJJCK-UHFFFAOYSA-N -1 3 359.336 3.110 20 0 FGADHM FC(F)Oc1cc(-c2nn[n-]n2)ccc1CNc1ccc2c(c1)COC2 ZINC000826369403 608542667 /nfs/dbraw/zinc/54/26/67/608542667.db2.gz AUYZKAXCDBJJCK-UHFFFAOYSA-N -1 3 359.336 3.110 20 0 FGADHM CCc1ccc(NC(=O)c2ncc(-c3nnn[n-]3)cc2Cl)cc1CC ZINC000825712398 608564306 /nfs/dbraw/zinc/56/43/06/608564306.db2.gz QKCPSWTWAUQGLW-UHFFFAOYSA-N -1 3 356.817 3.292 20 0 FGADHM CCc1ccc(NC(=O)c2ncc(-c3nn[n-]n3)cc2Cl)cc1CC ZINC000825712398 608564308 /nfs/dbraw/zinc/56/43/08/608564308.db2.gz QKCPSWTWAUQGLW-UHFFFAOYSA-N -1 3 356.817 3.292 20 0 FGADHM CC(C)[C@H](O)C1(CNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CC1 ZINC000824199629 608586453 /nfs/dbraw/zinc/58/64/53/608586453.db2.gz KKCWDDXGYGQSDU-ZDUSSCGKSA-N -1 3 355.364 3.095 20 0 FGADHM CC(C)[C@H](O)C1(CNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CC1 ZINC000824199629 608586454 /nfs/dbraw/zinc/58/64/54/608586454.db2.gz KKCWDDXGYGQSDU-ZDUSSCGKSA-N -1 3 355.364 3.095 20 0 FGADHM CN(Cc1ccc(-c2nnn[n-]2)s1)Cc1cc(Br)cs1 ZINC000825953904 608589279 /nfs/dbraw/zinc/58/92/79/608589279.db2.gz QRKRKGIEARWQDN-UHFFFAOYSA-N -1 3 370.301 3.384 20 0 FGADHM COc1ccc([C@@H](C)COC(=O)CCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826187638 608592989 /nfs/dbraw/zinc/59/29/89/608592989.db2.gz AEQXMADDJDVRNQ-AWEZNQCLSA-N -1 3 366.421 3.155 20 0 FGADHM COc1ccc([C@@H](C)COC(=O)CCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826187638 608592994 /nfs/dbraw/zinc/59/29/94/608592994.db2.gz AEQXMADDJDVRNQ-AWEZNQCLSA-N -1 3 366.421 3.155 20 0 FGADHM CC1(C)CC[C@H](NC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)C1 ZINC000824801765 608599827 /nfs/dbraw/zinc/59/98/27/608599827.db2.gz IQSSUUYXXKCTNC-JTQLQIEISA-N -1 3 366.372 3.168 20 0 FGADHM CC1(C)CC[C@H](NC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)C1 ZINC000824801765 608599828 /nfs/dbraw/zinc/59/98/28/608599828.db2.gz IQSSUUYXXKCTNC-JTQLQIEISA-N -1 3 366.372 3.168 20 0 FGADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Oc1c(F)cccc1Cl ZINC000824753584 608671501 /nfs/dbraw/zinc/67/15/01/608671501.db2.gz FHDKZSQUOOTHPG-VIFPVBQESA-N -1 3 362.748 3.032 20 0 FGADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Oc1c(F)cccc1Cl ZINC000824753584 608671502 /nfs/dbraw/zinc/67/15/02/608671502.db2.gz FHDKZSQUOOTHPG-VIFPVBQESA-N -1 3 362.748 3.032 20 0 FGADHM Cc1ccc(C)c([C@H]2CN(Cc3ccc(-c4nnn[n-]4)o3)[C@@H](C)CO2)c1 ZINC000826285390 608729562 /nfs/dbraw/zinc/72/95/62/608729562.db2.gz YNZZXCGIGXKQMA-KBXCAEBGSA-N -1 3 353.426 3.039 20 0 FGADHM Cc1ccc(C)c([C@H]2CN(Cc3ccc(-c4nn[n-]n4)o3)[C@@H](C)CO2)c1 ZINC000826285390 608729565 /nfs/dbraw/zinc/72/95/65/608729565.db2.gz YNZZXCGIGXKQMA-KBXCAEBGSA-N -1 3 353.426 3.039 20 0 FGADHM CCc1ccc(N[C@@H](C)C(=O)Nc2ccccc2-c2nnn[n-]2)cc1C ZINC000825718103 608753823 /nfs/dbraw/zinc/75/38/23/608753823.db2.gz VZUVAESMNXWUAQ-ZDUSSCGKSA-N -1 3 350.426 3.177 20 0 FGADHM CCc1ccc(N[C@@H](C)C(=O)Nc2ccccc2-c2nn[n-]n2)cc1C ZINC000825718103 608753826 /nfs/dbraw/zinc/75/38/26/608753826.db2.gz VZUVAESMNXWUAQ-ZDUSSCGKSA-N -1 3 350.426 3.177 20 0 FGADHM c1ccc([C@@H]2CN(c3cnccc3-c3nnn[n-]3)Cc3ccccc32)cc1 ZINC000826520814 608773437 /nfs/dbraw/zinc/77/34/37/608773437.db2.gz SBQNSJRYRUIDDB-IBGZPJMESA-N -1 3 354.417 3.414 20 0 FGADHM c1ccc([C@@H]2CN(c3cnccc3-c3nn[n-]n3)Cc3ccccc32)cc1 ZINC000826520814 608773438 /nfs/dbraw/zinc/77/34/38/608773438.db2.gz SBQNSJRYRUIDDB-IBGZPJMESA-N -1 3 354.417 3.414 20 0 FGADHM CCCOc1ccc([C@H](C)Nc2cnccc2-c2nnn[n-]2)cc1OC ZINC000825339091 608773996 /nfs/dbraw/zinc/77/39/96/608773996.db2.gz MIZRWWXHVXDEPV-LBPRGKRZSA-N -1 3 354.414 3.232 20 0 FGADHM CCCOc1ccc([C@H](C)Nc2cnccc2-c2nn[n-]n2)cc1OC ZINC000825339091 608773997 /nfs/dbraw/zinc/77/39/97/608773997.db2.gz MIZRWWXHVXDEPV-LBPRGKRZSA-N -1 3 354.414 3.232 20 0 FGADHM O=C(O[C@H](c1nccs1)c1ccccc1)c1sccc1-c1nnn[n-]1 ZINC000826461878 608845454 /nfs/dbraw/zinc/84/54/54/608845454.db2.gz IYWONGVEOKCEHQ-LBPRGKRZSA-N -1 3 369.431 3.331 20 0 FGADHM COc1sc(CNc2cccc(-c3nnn[n-]3)c2)cc1Br ZINC000826222289 608868239 /nfs/dbraw/zinc/86/82/39/608868239.db2.gz QQRLRKHTSZALPB-UHFFFAOYSA-N -1 3 366.244 3.311 20 0 FGADHM COc1sc(CNc2cccc(-c3nn[n-]n3)c2)cc1Br ZINC000826222289 608868242 /nfs/dbraw/zinc/86/82/42/608868242.db2.gz QQRLRKHTSZALPB-UHFFFAOYSA-N -1 3 366.244 3.311 20 0 FGADHM CON(Cc1ccccc1)Cc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000826166328 609145059 /nfs/dbraw/zinc/14/50/59/609145059.db2.gz GBNQWUUNLMPKGF-UHFFFAOYSA-N -1 3 361.352 3.032 20 0 FGADHM CON(Cc1ccccc1)Cc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000826166328 609145060 /nfs/dbraw/zinc/14/50/60/609145060.db2.gz GBNQWUUNLMPKGF-UHFFFAOYSA-N -1 3 361.352 3.032 20 0 FGADHM C[C@@H](N[C@H]1COc2c1cccc2Cl)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824553504 609152861 /nfs/dbraw/zinc/15/28/61/609152861.db2.gz BZXWCEDFCHROMA-PSLIRLAXSA-N -1 3 359.792 3.444 20 0 FGADHM C[C@@H](N[C@H]1COc2c1cccc2Cl)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824553504 609152863 /nfs/dbraw/zinc/15/28/63/609152863.db2.gz BZXWCEDFCHROMA-PSLIRLAXSA-N -1 3 359.792 3.444 20 0 FGADHM COc1cc(N[C@@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)cc(OC)c1OC ZINC000826180808 609160635 /nfs/dbraw/zinc/16/06/35/609160635.db2.gz XVWXCVWHLIATNY-JTQLQIEISA-N -1 3 373.388 3.205 20 0 FGADHM COc1cc(N[C@@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)cc(OC)c1OC ZINC000826180808 609160636 /nfs/dbraw/zinc/16/06/36/609160636.db2.gz XVWXCVWHLIATNY-JTQLQIEISA-N -1 3 373.388 3.205 20 0 FGADHM CCOC(=O)Nc1ccc(NC[C@H]2CCO[C@H](CC)C2)cc1-c1nnn[n-]1 ZINC000825553394 609172434 /nfs/dbraw/zinc/17/24/34/609172434.db2.gz PNXNORXDPYMRMU-GXTWGEPZSA-N -1 3 374.445 3.052 20 0 FGADHM CCOC(=O)Nc1ccc(NC[C@H]2CCO[C@H](CC)C2)cc1-c1nn[n-]n1 ZINC000825553394 609172436 /nfs/dbraw/zinc/17/24/36/609172436.db2.gz PNXNORXDPYMRMU-GXTWGEPZSA-N -1 3 374.445 3.052 20 0 FGADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2cc(C)n([C@@H](C)C3CC3)n2)s1 ZINC000825694158 609175563 /nfs/dbraw/zinc/17/55/63/609175563.db2.gz MCMFRZGSHWNVBZ-JTQLQIEISA-N -1 3 371.470 3.219 20 0 FGADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2cc(C)n([C@@H](C)C3CC3)n2)s1 ZINC000825694158 609175564 /nfs/dbraw/zinc/17/55/64/609175564.db2.gz MCMFRZGSHWNVBZ-JTQLQIEISA-N -1 3 371.470 3.219 20 0 FGADHM Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)c2c[nH]c(-c3nnn[n-]3)c2)cc1 ZINC000826284828 609216390 /nfs/dbraw/zinc/21/63/90/609216390.db2.gz HJDQEQNSLNXHTQ-GUYCJALGSA-N -1 3 350.426 3.117 20 0 FGADHM Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)c2c[nH]c(-c3nn[n-]n3)c2)cc1 ZINC000826284828 609216391 /nfs/dbraw/zinc/21/63/91/609216391.db2.gz HJDQEQNSLNXHTQ-GUYCJALGSA-N -1 3 350.426 3.117 20 0 FGADHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N1Cc2ccccc2C[C@@H]1c1ccccc1 ZINC000826469547 609218933 /nfs/dbraw/zinc/21/89/33/609218933.db2.gz KHWRMQOIZPAGLY-LJQANCHMSA-N -1 3 370.416 3.135 20 0 FGADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1Cc2ccccc2C[C@@H]1c1ccccc1 ZINC000826469547 609218935 /nfs/dbraw/zinc/21/89/35/609218935.db2.gz KHWRMQOIZPAGLY-LJQANCHMSA-N -1 3 370.416 3.135 20 0 FGADHM C[C@@H](Nc1ccc(O[C@@H]2CCOC2)cc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824658002 609237146 /nfs/dbraw/zinc/23/71/46/609237146.db2.gz TXGVDMJTLNLHRU-MLGOLLRUSA-N -1 3 369.400 3.347 20 0 FGADHM C[C@@H](Nc1ccc(O[C@@H]2CCOC2)cc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824658002 609237148 /nfs/dbraw/zinc/23/71/48/609237148.db2.gz TXGVDMJTLNLHRU-MLGOLLRUSA-N -1 3 369.400 3.347 20 0 FGADHM Cc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)nn1[C@@H](C)C1CC1 ZINC000826260637 609237510 /nfs/dbraw/zinc/23/75/10/609237510.db2.gz YDGBZROHWSBMAI-JTQLQIEISA-N -1 3 371.832 3.248 20 0 FGADHM Cc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)nn1[C@@H](C)C1CC1 ZINC000826260637 609237511 /nfs/dbraw/zinc/23/75/11/609237511.db2.gz YDGBZROHWSBMAI-JTQLQIEISA-N -1 3 371.832 3.248 20 0 FGADHM CC(C)(C)c1cc(NC(=O)c2cccc3nccn32)c(-c2nnn[n-]2)s1 ZINC000824130233 609238132 /nfs/dbraw/zinc/23/81/32/609238132.db2.gz JGDSEVBOTBQSJH-UHFFFAOYSA-N -1 3 367.438 3.126 20 0 FGADHM C[C@H](Nc1ccccc1O[C@@H]1CCOC1)c1cccc(-c2nnn[n-]2)c1 ZINC000824662515 609245334 /nfs/dbraw/zinc/24/53/34/609245334.db2.gz MAHBGGPXTQUYNG-XJKSGUPXSA-N -1 3 351.410 3.208 20 0 FGADHM C[C@H](Nc1ccccc1O[C@@H]1CCOC1)c1cccc(-c2nn[n-]n2)c1 ZINC000824662515 609245335 /nfs/dbraw/zinc/24/53/35/609245335.db2.gz MAHBGGPXTQUYNG-XJKSGUPXSA-N -1 3 351.410 3.208 20 0 FGADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)N1CC2(C1)CCCCC2 ZINC000826405950 609248884 /nfs/dbraw/zinc/24/88/84/609248884.db2.gz AOJIHCCGWMDBIK-UHFFFAOYSA-N -1 3 369.469 3.209 20 0 FGADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)N1CC2(C1)CCCCC2 ZINC000826405950 609248885 /nfs/dbraw/zinc/24/88/85/609248885.db2.gz AOJIHCCGWMDBIK-UHFFFAOYSA-N -1 3 369.469 3.209 20 0 FGADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)Oc1cccc(Oc2cccnc2)c1 ZINC000826422184 609257945 /nfs/dbraw/zinc/25/79/45/609257945.db2.gz PGNGAZGBWKMLJW-UHFFFAOYSA-N -1 3 373.372 3.202 20 0 FGADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)Oc1cccc(Oc2cccnc2)c1 ZINC000826422184 609257946 /nfs/dbraw/zinc/25/79/46/609257946.db2.gz PGNGAZGBWKMLJW-UHFFFAOYSA-N -1 3 373.372 3.202 20 0 FGADHM CCCNC(=O)c1cccc(N[C@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC000825332087 609274101 /nfs/dbraw/zinc/27/41/01/609274101.db2.gz DUPSFBCVKAQDGZ-GFCCVEGCSA-N -1 3 368.416 3.319 20 0 FGADHM CCCNC(=O)c1cccc(N[C@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC000825332087 609274102 /nfs/dbraw/zinc/27/41/02/609274102.db2.gz DUPSFBCVKAQDGZ-GFCCVEGCSA-N -1 3 368.416 3.319 20 0 FGADHM CCNC(=O)c1ccc(C)c(N[C@@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC000825476695 609275652 /nfs/dbraw/zinc/27/56/52/609275652.db2.gz SIWFFKOTYWRMLH-LBPRGKRZSA-N -1 3 368.416 3.237 20 0 FGADHM CCNC(=O)c1ccc(C)c(N[C@@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC000825476695 609275653 /nfs/dbraw/zinc/27/56/53/609275653.db2.gz SIWFFKOTYWRMLH-LBPRGKRZSA-N -1 3 368.416 3.237 20 0 FGADHM C[C@H](Nc1ccc(-n2cncn2)c(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824656170 609276180 /nfs/dbraw/zinc/27/61/80/609276180.db2.gz IMLJXSKQJSBVCC-NSHDSACASA-N -1 3 366.816 3.274 20 0 FGADHM C[C@H](Nc1ccc(-n2cncn2)c(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824656170 609276181 /nfs/dbraw/zinc/27/61/81/609276181.db2.gz IMLJXSKQJSBVCC-NSHDSACASA-N -1 3 366.816 3.274 20 0 FGADHM Cc1ccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)cc1C(=O)N(C)C ZINC000826291371 609280364 /nfs/dbraw/zinc/28/03/64/609280364.db2.gz CDCIJFZJOGRNLY-LBPRGKRZSA-N -1 3 368.416 3.189 20 0 FGADHM Cc1ccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)cc1C(=O)N(C)C ZINC000826291371 609280365 /nfs/dbraw/zinc/28/03/65/609280365.db2.gz CDCIJFZJOGRNLY-LBPRGKRZSA-N -1 3 368.416 3.189 20 0 FGADHM CCOc1ccc(CN(C)C(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)cc1 ZINC000825638119 609286848 /nfs/dbraw/zinc/28/68/48/609286848.db2.gz FZDKDNMGISCBSA-UHFFFAOYSA-N -1 3 371.828 3.191 20 0 FGADHM CCOc1ccc(CN(C)C(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)cc1 ZINC000825638119 609286849 /nfs/dbraw/zinc/28/68/49/609286849.db2.gz FZDKDNMGISCBSA-UHFFFAOYSA-N -1 3 371.828 3.191 20 0 FGADHM CCCCN(CC(F)(F)F)C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000825281555 609297559 /nfs/dbraw/zinc/29/75/59/609297559.db2.gz FVNSJUPHCKEBCW-UHFFFAOYSA-N -1 3 361.755 3.325 20 0 FGADHM CCCCN(CC(F)(F)F)C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000825281555 609297560 /nfs/dbraw/zinc/29/75/60/609297560.db2.gz FVNSJUPHCKEBCW-UHFFFAOYSA-N -1 3 361.755 3.325 20 0 FGADHM Cc1nnc(SCc2cccc(OC(F)F)c2)c(-c2nnn[n-]2)c1C ZINC000826337157 609306301 /nfs/dbraw/zinc/30/63/01/609306301.db2.gz DUEFNXQJKRDHKQ-UHFFFAOYSA-N -1 3 364.381 3.167 20 0 FGADHM Cc1nnc(SCc2cccc(OC(F)F)c2)c(-c2nn[n-]n2)c1C ZINC000826337157 609306302 /nfs/dbraw/zinc/30/63/02/609306302.db2.gz DUEFNXQJKRDHKQ-UHFFFAOYSA-N -1 3 364.381 3.167 20 0 FGADHM CCc1c(C)sc(NC(=O)[C@H](F)Cc2ccccc2)c1-c1nnn[n-]1 ZINC000825687275 609316529 /nfs/dbraw/zinc/31/65/29/609316529.db2.gz DWYIOWDXXUALAO-CYBMUJFWSA-N -1 3 359.430 3.318 20 0 FGADHM CCc1c(C)sc(NC(=O)[C@H](F)Cc2ccccc2)c1-c1nn[n-]n1 ZINC000825687275 609316531 /nfs/dbraw/zinc/31/65/31/609316531.db2.gz DWYIOWDXXUALAO-CYBMUJFWSA-N -1 3 359.430 3.318 20 0 FGADHM CC1(C)C[C@H](Nc2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)C(C)(C)O1 ZINC000824791296 609318948 /nfs/dbraw/zinc/31/89/48/609318948.db2.gz YJKNRZJXUKJCBO-ZDUSSCGKSA-N -1 3 374.395 3.451 20 0 FGADHM CC1(C)C[C@H](Nc2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)C(C)(C)O1 ZINC000824791296 609318949 /nfs/dbraw/zinc/31/89/49/609318949.db2.gz YJKNRZJXUKJCBO-ZDUSSCGKSA-N -1 3 374.395 3.451 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)c(N2CCC[C@@H](c3ccc(F)cc3)CC2)n1 ZINC000826274013 609326154 /nfs/dbraw/zinc/32/61/54/609326154.db2.gz DIDXWNVAIUZDSO-CQSZACIVSA-N -1 3 352.417 3.483 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)c(N2CCC[C@@H](c3ccc(F)cc3)CC2)n1 ZINC000826274013 609326156 /nfs/dbraw/zinc/32/61/56/609326156.db2.gz DIDXWNVAIUZDSO-CQSZACIVSA-N -1 3 352.417 3.483 20 0 FGADHM COCC[C@@H](C)SCc1ccc(-c2nnn[n-]2)cc1Br ZINC000826154550 609329384 /nfs/dbraw/zinc/32/93/84/609329384.db2.gz RJUAVMACFWJQJS-SECBINFHSA-N -1 3 357.277 3.287 20 0 FGADHM COCC[C@@H](C)SCc1ccc(-c2nn[n-]n2)cc1Br ZINC000826154550 609329386 /nfs/dbraw/zinc/32/93/86/609329386.db2.gz RJUAVMACFWJQJS-SECBINFHSA-N -1 3 357.277 3.287 20 0 FGADHM C[C@@H](CSCC(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000824447729 609329857 /nfs/dbraw/zinc/32/98/57/609329857.db2.gz BTLZBHZHSAWUNF-AWEZNQCLSA-N -1 3 367.478 3.020 20 0 FGADHM C[C@@H](CSCC(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000824447729 609329859 /nfs/dbraw/zinc/32/98/59/609329859.db2.gz BTLZBHZHSAWUNF-AWEZNQCLSA-N -1 3 367.478 3.020 20 0 FGADHM C[C@@H](Nc1ccc(O[C@H]2CCOC2)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824658049 609347626 /nfs/dbraw/zinc/34/76/26/609347626.db2.gz UOBNKGSMZXQFIC-WBMJQRKESA-N -1 3 369.400 3.347 20 0 FGADHM C[C@@H](Nc1ccc(O[C@H]2CCOC2)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824658049 609347628 /nfs/dbraw/zinc/34/76/28/609347628.db2.gz UOBNKGSMZXQFIC-WBMJQRKESA-N -1 3 369.400 3.347 20 0 FGADHM CC(C)(C)OCC(=O)OCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000824119725 609349430 /nfs/dbraw/zinc/34/94/30/609349430.db2.gz PDXYWWMBUOPJJY-UHFFFAOYSA-N -1 3 366.421 3.392 20 0 FGADHM CC(C)(C)OCC(=O)OCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000824119725 609349432 /nfs/dbraw/zinc/34/94/32/609349432.db2.gz PDXYWWMBUOPJJY-UHFFFAOYSA-N -1 3 366.421 3.392 20 0 FGADHM CN(C)c1ccc(N2CCC(Nc3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000825879365 609353290 /nfs/dbraw/zinc/35/32/90/609353290.db2.gz LPQBNYNYNCERRW-UHFFFAOYSA-N -1 3 363.469 3.014 20 0 FGADHM Cc1ccc(CN(C)Cc2ccc(-c3nnn[n-]3)cc2Br)o1 ZINC000826288288 609357627 /nfs/dbraw/zinc/35/76/27/609357627.db2.gz ZXWZXQWGDKZNCG-UHFFFAOYSA-N -1 3 362.231 3.163 20 0 FGADHM Cc1ccc(CN(C)Cc2ccc(-c3nn[n-]n3)cc2Br)o1 ZINC000826288288 609357629 /nfs/dbraw/zinc/35/76/29/609357629.db2.gz ZXWZXQWGDKZNCG-UHFFFAOYSA-N -1 3 362.231 3.163 20 0 FGADHM Brc1cc(-c2nn[n-]n2)ccc1CNC1(c2ccccc2)CC1 ZINC000823821277 609368283 /nfs/dbraw/zinc/36/82/83/609368283.db2.gz QRIURVXMIICSQA-UHFFFAOYSA-N -1 3 370.254 3.408 20 0 FGADHM COC(=O)[C@H](Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1)C1CC1 ZINC000826112189 609374334 /nfs/dbraw/zinc/37/43/34/609374334.db2.gz UOQGYHIWVMNGDM-QGZVFWFLSA-N -1 3 365.393 3.023 20 0 FGADHM COC(=O)[C@H](Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1)C1CC1 ZINC000826112189 609374335 /nfs/dbraw/zinc/37/43/35/609374335.db2.gz UOQGYHIWVMNGDM-QGZVFWFLSA-N -1 3 365.393 3.023 20 0 FGADHM C[C@H](OC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1nc2ccccc2o1 ZINC000824714052 609402971 /nfs/dbraw/zinc/40/29/71/609402971.db2.gz MCDPCDVPQWCNON-IIANPFDCSA-N -1 3 361.361 3.326 20 0 FGADHM C[C@H](OC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1nc2ccccc2o1 ZINC000824714052 609402972 /nfs/dbraw/zinc/40/29/72/609402972.db2.gz MCDPCDVPQWCNON-IIANPFDCSA-N -1 3 361.361 3.326 20 0 FGADHM C[C@H](OC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1nc2ccccc2o1 ZINC000824712524 609403444 /nfs/dbraw/zinc/40/34/44/609403444.db2.gz AOGFMZIQZHMRGO-QMMMGPOBSA-N -1 3 371.303 3.204 20 0 FGADHM C[C@H](OC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1nc2ccccc2o1 ZINC000824712524 609403446 /nfs/dbraw/zinc/40/34/46/609403446.db2.gz AOGFMZIQZHMRGO-QMMMGPOBSA-N -1 3 371.303 3.204 20 0 FGADHM O=C(N[C@@]1(C(F)(F)F)CCc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000826427561 609406275 /nfs/dbraw/zinc/40/62/75/609406275.db2.gz UFQQTGGMOGSFDY-KRWDZBQOSA-N -1 3 373.338 3.001 20 0 FGADHM O=C(N[C@@]1(C(F)(F)F)CCc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000826427561 609406277 /nfs/dbraw/zinc/40/62/77/609406277.db2.gz UFQQTGGMOGSFDY-KRWDZBQOSA-N -1 3 373.338 3.001 20 0 FGADHM O=C(C[C@H]1CCCN1c1cccc(F)c1-c1nnn[n-]1)c1cccs1 ZINC000826404429 609429911 /nfs/dbraw/zinc/42/99/11/609429911.db2.gz AFESYKLICOLBMA-LLVKDONJSA-N -1 3 357.414 3.309 20 0 FGADHM O=C(C[C@H]1CCCN1c1cccc(F)c1-c1nn[n-]n1)c1cccs1 ZINC000826404429 609429913 /nfs/dbraw/zinc/42/99/13/609429913.db2.gz AFESYKLICOLBMA-LLVKDONJSA-N -1 3 357.414 3.309 20 0 FGADHM Fc1cccc(-n2ccc(CNc3ccc(-c4nn[n-]n4)cc3Cl)n2)c1 ZINC000826376594 609440114 /nfs/dbraw/zinc/44/01/14/609440114.db2.gz KKOJLPIMFZBUGF-UHFFFAOYSA-N -1 3 369.791 3.457 20 0 FGADHM Clc1cc(-c2nn[n-]n2)ccc1-n1ccc(NCCc2cccs2)n1 ZINC000826351062 609447049 /nfs/dbraw/zinc/44/70/49/609447049.db2.gz VZZRGCKVCGTJED-UHFFFAOYSA-N -1 3 371.857 3.422 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1ccc(F)cc1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826454467 609457763 /nfs/dbraw/zinc/45/77/63/609457763.db2.gz XVABAWBRMUZGPE-UHFFFAOYSA-N -1 3 366.331 3.392 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1ccc(F)cc1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826454467 609457765 /nfs/dbraw/zinc/45/77/65/609457765.db2.gz XVABAWBRMUZGPE-UHFFFAOYSA-N -1 3 366.331 3.392 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NCc1ccc(OC(C)C)c(OC)c1 ZINC000826187028 609484347 /nfs/dbraw/zinc/48/43/47/609484347.db2.gz WGEUQGHXUJQAEG-UHFFFAOYSA-N -1 3 369.425 3.283 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NCc1ccc(OC(C)C)c(OC)c1 ZINC000826187028 609484348 /nfs/dbraw/zinc/48/43/48/609484348.db2.gz WGEUQGHXUJQAEG-UHFFFAOYSA-N -1 3 369.425 3.283 20 0 FGADHM Cn1cccc1CNc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826364555 609484447 /nfs/dbraw/zinc/48/44/47/609484447.db2.gz ZZZPHYCVIGKBBE-UHFFFAOYSA-N -1 3 360.421 3.396 20 0 FGADHM Cn1cccc1CNc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826364555 609484450 /nfs/dbraw/zinc/48/44/50/609484450.db2.gz ZZZPHYCVIGKBBE-UHFFFAOYSA-N -1 3 360.421 3.396 20 0 FGADHM COCCOc1ccc(-c2nnn[n-]2)cc1NCc1ccc(Cl)s1 ZINC000826161952 609484797 /nfs/dbraw/zinc/48/47/97/609484797.db2.gz GZKXZHHGNXSYEK-UHFFFAOYSA-N -1 3 365.846 3.219 20 0 FGADHM COCCOc1ccc(-c2nn[n-]n2)cc1NCc1ccc(Cl)s1 ZINC000826161952 609484799 /nfs/dbraw/zinc/48/47/99/609484799.db2.gz GZKXZHHGNXSYEK-UHFFFAOYSA-N -1 3 365.846 3.219 20 0 FGADHM CCc1nn(C)c(CC)c1CNc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000825759408 609493053 /nfs/dbraw/zinc/49/30/53/609493053.db2.gz FQKFSLLXWAWNDI-UHFFFAOYSA-N -1 3 369.473 3.124 20 0 FGADHM CCc1nn(C)c(CC)c1CNc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000825759408 609493054 /nfs/dbraw/zinc/49/30/54/609493054.db2.gz FQKFSLLXWAWNDI-UHFFFAOYSA-N -1 3 369.473 3.124 20 0 FGADHM CSc1c(F)cc(NC(=O)c2cc(-c3nnn[n-]3)cs2)cc1F ZINC000826229903 609516956 /nfs/dbraw/zinc/51/69/56/609516956.db2.gz WDUARVRUZYGJIQ-UHFFFAOYSA-N -1 3 353.379 3.181 20 0 FGADHM CSc1c(F)cc(NC(=O)c2cc(-c3nn[n-]n3)cs2)cc1F ZINC000826229903 609516959 /nfs/dbraw/zinc/51/69/59/609516959.db2.gz WDUARVRUZYGJIQ-UHFFFAOYSA-N -1 3 353.379 3.181 20 0 FGADHM Cc1c(Cl)cnc(N[C@@H](C)c2ccc3c(c2)OCCO3)c1-c1nnn[n-]1 ZINC000826238314 609522902 /nfs/dbraw/zinc/52/29/02/609522902.db2.gz CONLGAYIWXUTCV-JTQLQIEISA-N -1 3 372.816 3.168 20 0 FGADHM Cc1c(Cl)cnc(N[C@@H](C)c2ccc3c(c2)OCCO3)c1-c1nn[n-]n1 ZINC000826238314 609522908 /nfs/dbraw/zinc/52/29/08/609522908.db2.gz CONLGAYIWXUTCV-JTQLQIEISA-N -1 3 372.816 3.168 20 0 FGADHM Cc1ccnc(N(C)Cc2ccc(Br)s2)c1-c1nnn[n-]1 ZINC000826309293 609523282 /nfs/dbraw/zinc/52/32/82/609523282.db2.gz KKZHXZMDJBOHSM-UHFFFAOYSA-N -1 3 365.260 3.031 20 0 FGADHM Cc1ccnc(N(C)Cc2ccc(Br)s2)c1-c1nn[n-]n1 ZINC000826309293 609523283 /nfs/dbraw/zinc/52/32/83/609523283.db2.gz KKZHXZMDJBOHSM-UHFFFAOYSA-N -1 3 365.260 3.031 20 0 FGADHM COc1ccc(N(C#N)Cc2ccc(F)cc2-c2nnn[n-]2)cc1Cl ZINC000826209269 609525771 /nfs/dbraw/zinc/52/57/71/609525771.db2.gz UNYJYLFZABYELE-UHFFFAOYSA-N -1 3 358.764 3.155 20 0 FGADHM COc1ccc(N(C#N)Cc2ccc(F)cc2-c2nn[n-]n2)cc1Cl ZINC000826209269 609525772 /nfs/dbraw/zinc/52/57/72/609525772.db2.gz UNYJYLFZABYELE-UHFFFAOYSA-N -1 3 358.764 3.155 20 0 FGADHM Cc1ccnc(N2CC[C@@H](CSc3ccccc3)C2)c1-c1nnn[n-]1 ZINC000826309982 609563779 /nfs/dbraw/zinc/56/37/79/609563779.db2.gz IDTGDJLKIFRXEK-CQSZACIVSA-N -1 3 352.467 3.189 20 0 FGADHM Cc1ccnc(N2CC[C@@H](CSc3ccccc3)C2)c1-c1nn[n-]n1 ZINC000826309982 609563781 /nfs/dbraw/zinc/56/37/81/609563781.db2.gz IDTGDJLKIFRXEK-CQSZACIVSA-N -1 3 352.467 3.189 20 0 FGADHM Cc1c(Cl)cnc(N2C[C@H](c3ccccc3)OC[C@@H]2C)c1-c1nnn[n-]1 ZINC000826237381 609569433 /nfs/dbraw/zinc/56/94/33/609569433.db2.gz XRLVDSOZFHNTPA-XHDPSFHLSA-N -1 3 370.844 3.190 20 0 FGADHM Cc1c(Cl)cnc(N2C[C@H](c3ccccc3)OC[C@@H]2C)c1-c1nn[n-]n1 ZINC000826237381 609569435 /nfs/dbraw/zinc/56/94/35/609569435.db2.gz XRLVDSOZFHNTPA-XHDPSFHLSA-N -1 3 370.844 3.190 20 0 FGADHM CCCCn1cc(CNc2ncc(Cl)c(C)c2-c2nnn[n-]2)c(C)n1 ZINC000825300608 609584490 /nfs/dbraw/zinc/58/44/90/609584490.db2.gz BSOMVFOXZZEDFA-UHFFFAOYSA-N -1 3 360.853 3.141 20 0 FGADHM CCCCn1cc(CNc2ncc(Cl)c(C)c2-c2nn[n-]n2)c(C)n1 ZINC000825300608 609584492 /nfs/dbraw/zinc/58/44/92/609584492.db2.gz BSOMVFOXZZEDFA-UHFFFAOYSA-N -1 3 360.853 3.141 20 0 FGADHM Cc1cc(C)cc([C@H]2CCN(c3nc4ccccn4c3-c3nnn[n-]3)C2)c1 ZINC000826264339 609602637 /nfs/dbraw/zinc/60/26/37/609602637.db2.gz KVFFVIKKARZKLO-HNNXBMFYSA-N -1 3 359.437 3.125 20 0 FGADHM Cc1cc(C)cc([C@H]2CCN(c3nc4ccccn4c3-c3nn[n-]n3)C2)c1 ZINC000826264339 609602639 /nfs/dbraw/zinc/60/26/39/609602639.db2.gz KVFFVIKKARZKLO-HNNXBMFYSA-N -1 3 359.437 3.125 20 0 FGADHM C[C@@H](COc1ccccc1)C(=O)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000824448681 609615990 /nfs/dbraw/zinc/61/59/90/609615990.db2.gz JZRQQDCZKRJIMY-LBPRGKRZSA-N -1 3 372.812 3.278 20 0 FGADHM C[C@@H](COc1ccccc1)C(=O)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000824448681 609615991 /nfs/dbraw/zinc/61/59/91/609615991.db2.gz JZRQQDCZKRJIMY-LBPRGKRZSA-N -1 3 372.812 3.278 20 0 FGADHM O=C(OCc1ccc(Cl)cc1-c1nnn[n-]1)c1csc(C2CC2)n1 ZINC000826465231 609616306 /nfs/dbraw/zinc/61/63/06/609616306.db2.gz DUZKOOLTROUGDE-UHFFFAOYSA-N -1 3 361.814 3.211 20 0 FGADHM O=C(OCc1ccc(Cl)cc1-c1nn[n-]n1)c1csc(C2CC2)n1 ZINC000826465231 609616307 /nfs/dbraw/zinc/61/63/07/609616307.db2.gz DUZKOOLTROUGDE-UHFFFAOYSA-N -1 3 361.814 3.211 20 0 FGADHM CC[C@H](C)n1nc(C(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)cc1C ZINC000825083039 609620152 /nfs/dbraw/zinc/62/01/52/609620152.db2.gz WUDRWLQQEQPBPJ-JTQLQIEISA-N -1 3 374.832 3.353 20 0 FGADHM CC[C@H](C)n1nc(C(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)cc1C ZINC000825083039 609620154 /nfs/dbraw/zinc/62/01/54/609620154.db2.gz WUDRWLQQEQPBPJ-JTQLQIEISA-N -1 3 374.832 3.353 20 0 FGADHM CSc1ccc(Cl)c(C(=O)OCC(=O)[N-]C(=O)c2cccs2)c1 ZINC000007131127 695563745 /nfs/dbraw/zinc/56/37/45/695563745.db2.gz PIDBZXPFPXEANG-UHFFFAOYSA-N -1 3 369.851 3.237 20 0 FGADHM O=C1[N-]C(=O)C(=CNc2nnc(C3CCCCC3)s2)c2ccccc21 ZINC000016721884 695631568 /nfs/dbraw/zinc/63/15/68/695631568.db2.gz ONFZEOZIRFKXSF-UVTDQMKNSA-N -1 3 354.435 3.309 20 0 FGADHM O=C(COC(=O)c1cc(Cl)c(Cl)[n-]1)Nc1cccc2nsnc21 ZINC000019103011 695639670 /nfs/dbraw/zinc/63/96/70/695639670.db2.gz ZRUDZARTPXOPHJ-UHFFFAOYSA-N -1 3 371.205 3.122 20 0 FGADHM O=C(COC(=O)c1cc2ccsc2[n-]1)NC12CC3CC(CC(C3)C1)C2 ZINC000023345573 695660902 /nfs/dbraw/zinc/66/09/02/695660902.db2.gz BQANUJQAMMLXDS-UHFFFAOYSA-N -1 3 358.463 3.471 20 0 FGADHM CCN(CC)C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000027475103 695694350 /nfs/dbraw/zinc/69/43/50/695694350.db2.gz OURAOWYSWJYTOA-UHFFFAOYSA-N -1 3 350.415 3.109 20 0 FGADHM COc1c(C)ccc([N-]S(=O)(=O)c2ccc3oc(=O)ccc3c2)c1C ZINC000031722580 695738710 /nfs/dbraw/zinc/73/87/10/695738710.db2.gz 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C[C@@H]1CCCN(C(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)[C@H]1C ZINC000736265418 722522533 /nfs/dbraw/zinc/52/25/33/722522533.db2.gz JKIPTXKSLFLNPM-ZJUUUORDSA-N -1 3 350.879 3.337 20 0 FGADHM O=S(=O)([N-][C@@H]1CCc2cc(F)ccc21)c1cnc(Cl)c(Cl)c1 ZINC000738365180 722530026 /nfs/dbraw/zinc/53/00/26/722530026.db2.gz XORDHGTXDWAYDQ-CYBMUJFWSA-N -1 3 361.225 3.493 20 0 FGADHM O=S(=O)([N-][C@@H](c1ccccc1)c1cccnc1)c1cccnc1Cl ZINC000738378231 722530138 /nfs/dbraw/zinc/53/01/38/722530138.db2.gz PVHIDSZNPIYHSH-INIZCTEOSA-N -1 3 359.838 3.198 20 0 FGADHM C[C@@H](NCC1(NC(=O)[O-])CCCCC1)C(=O)Nc1cc(Cl)ccc1F ZINC000739034614 722532220 /nfs/dbraw/zinc/53/22/20/722532220.db2.gz ZIDNEYWUAKXTRQ-LLVKDONJSA-N -1 3 371.840 3.366 20 0 FGADHM O=C([N-][C@@H]1CCN(c2ccc(Cl)cc2)C1=O)C(F)(F)c1ccccc1 ZINC000739608419 722533556 /nfs/dbraw/zinc/53/35/56/722533556.db2.gz QWJCBCUITSAKSY-OAHLLOKOSA-N -1 3 364.779 3.354 20 0 FGADHM C[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)CC1(C)OCCO1 ZINC000741158541 722543134 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CCOC(=O)c1cc(NC(=O)[C@H](F)c2ccc(C(F)(F)F)cc2)n[n-]1 ZINC000801945833 724349106 /nfs/dbraw/zinc/34/91/06/724349106.db2.gz KHVLNPCCNSKLGX-GFCCVEGCSA-N -1 3 359.279 3.255 20 0 FGADHM O=C(/C=C/c1ccc(Cl)nc1)OCc1noc(-c2ccccc2[O-])n1 ZINC000784404920 724850564 /nfs/dbraw/zinc/85/05/64/724850564.db2.gz PIQRFPZBYPFICV-SOFGYWHQSA-N -1 3 357.753 3.247 20 0 FGADHM CS(=O)(=O)[N-]c1ccc(C(=O)OCc2ccc(Cl)c(F)c2)cc1 ZINC000785652440 724928114 /nfs/dbraw/zinc/92/81/14/724928114.db2.gz BEFFQPSQQLDOLI-UHFFFAOYSA-N -1 3 357.790 3.208 20 0 FGADHM O=C([N-]Cc1ncnn1-c1ccccc1)C(F)(F)c1cccc(Cl)c1 ZINC000785674891 724929461 /nfs/dbraw/zinc/92/94/61/724929461.db2.gz GFZXLVYRMYISCT-UHFFFAOYSA-N -1 3 362.767 3.329 20 0 FGADHM CCc1ccc(C(=O)NC[C@@H](O)c2cccc(C(F)(F)F)c2)c([O-])c1 ZINC000787123886 725017172 /nfs/dbraw/zinc/01/71/72/725017172.db2.gz ZREFFTQCBYMCEV-MRXNPFEDSA-N -1 3 353.340 3.437 20 0 FGADHM Cc1ccc(-c2cc(C(=O)OCCOCC(F)(F)C(F)F)n[n-]2)o1 ZINC000787649231 725033991 /nfs/dbraw/zinc/03/39/91/725033991.db2.gz 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ZINC000805127574 725051428 /nfs/dbraw/zinc/05/14/28/725051428.db2.gz PIYYORUKDNTWOD-SRVKXCTJSA-N -1 3 351.413 3.004 20 0 FGADHM COC(=O)[C@H](OC(=O)CCCc1ccc([O-])c(F)c1)c1ccsc1 ZINC000788993865 725101367 /nfs/dbraw/zinc/10/13/67/725101367.db2.gz KIBMCVNCZSJIPM-MRXNPFEDSA-N -1 3 352.383 3.373 20 0 FGADHM COC(OC)c1ccc(C(=O)Nc2ccc(Br)cc2[O-])o1 ZINC000806453898 725129898 /nfs/dbraw/zinc/12/98/98/725129898.db2.gz OPEXZOLVIHDOHQ-UHFFFAOYSA-N -1 3 356.172 3.291 20 0 FGADHM COc1ccc(CN2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)cc1Cl ZINC000810071858 725286902 /nfs/dbraw/zinc/28/69/02/725286902.db2.gz OVWQOXJRAKTEGK-GFCCVEGCSA-N -1 3 364.795 3.239 20 0 FGADHM O=S(=O)([N-]C[C@H]1CC[C@@H](c2ccccc2)O1)c1cnc(Cl)c(F)c1 ZINC000810082175 725287774 /nfs/dbraw/zinc/28/77/74/725287774.db2.gz GTWMPPKCLNPYJB-DOMZBBRYSA-N -1 3 370.833 3.073 20 0 FGADHM C[C@H](NC(=O)c1cc([O-])ccc1Cl)c1ccc(N2CCOC2=O)cc1 ZINC000810221472 725297817 /nfs/dbraw/zinc/29/78/17/725297817.db2.gz PMDIIKSNRBMBDM-NSHDSACASA-N -1 3 360.797 3.493 20 0 FGADHM CC(C)[C@H](CNC(=O)c1cc([O-])ccc1Cl)NC(=O)OC(C)(C)C ZINC000810411697 725306708 /nfs/dbraw/zinc/30/67/08/725306708.db2.gz SDTYRSFAFZPCTC-AWEZNQCLSA-N -1 3 356.850 3.325 20 0 FGADHM CCOC(=O)CN1CCC[C@H](OC(=O)c2cc3cc(Cl)sc3[n-]2)C1 ZINC000810599060 725317106 /nfs/dbraw/zinc/31/71/06/725317106.db2.gz MPOYKFWHZYEVIG-NSHDSACASA-N -1 3 370.858 3.067 20 0 FGADHM CC(C)c1ccsc1C(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000810903664 725333751 /nfs/dbraw/zinc/33/37/51/725333751.db2.gz USYAXOPYGUAQST-NSHDSACASA-N -1 3 362.417 3.402 20 0 FGADHM Cc1cccc(NC(=S)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)c1C ZINC000811711839 725377646 /nfs/dbraw/zinc/37/76/46/725377646.db2.gz XBQOKOMDSJVUNA-ZDUSSCGKSA-N -1 3 373.444 3.391 20 0 FGADHM CC[C@@H]1CCC[C@H](NC(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)C1 ZINC000811885198 725383977 /nfs/dbraw/zinc/38/39/77/725383977.db2.gz VVXKJGXIOUNDBR-RDBSUJKOSA-N -1 3 363.424 3.055 20 0 FGADHM COCc1ccccc1S(=O)(=O)[N-]c1cc(C)cnc1Br ZINC000812327973 725394257 /nfs/dbraw/zinc/39/42/57/725394257.db2.gz YABALHVUFPEEFV-UHFFFAOYSA-N -1 3 371.256 3.100 20 0 FGADHM O=C([N-]c1nnc(C2CCCCC2)s1)c1cc(CN2CCCC2)on1 ZINC000812457778 725397639 /nfs/dbraw/zinc/39/76/39/725397639.db2.gz UAWACOCIUIKFKH-UHFFFAOYSA-N -1 3 361.471 3.422 20 0 FGADHM O=C([N-]OC1CCC1)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000812790419 726812054 /nfs/dbraw/zinc/81/20/54/726812054.db2.gz QOKZKMHJOZGJMM-GFCCVEGCSA-N -1 3 371.264 3.446 20 0 FGADHM O=C(CCc1nc(-c2cc(Br)cs2)no1)[N-]OC1CCC1 ZINC000812790130 726812091 /nfs/dbraw/zinc/81/20/91/726812091.db2.gz VHFQDPMBDMLLAH-UHFFFAOYSA-N -1 3 372.244 3.094 20 0 FGADHM Cn1cc(Br)c(COC(=O)c2cc3sccc3c([O-])c2)n1 ZINC000814469485 726972011 /nfs/dbraw/zinc/97/20/11/726972011.db2.gz LIXWCEPERRCOQH-UHFFFAOYSA-N -1 3 367.224 3.460 20 0 FGADHM [O-]c1ccc(F)c(CNC[C@@H](O)c2ccc(OC(F)(F)F)cc2)c1F ZINC000816544956 727173768 /nfs/dbraw/zinc/17/37/68/727173768.db2.gz YJECOYFWSUJFBF-CQSZACIVSA-N -1 3 363.282 3.392 20 0 FGADHM C[C@H]1CCN(C(=O)C(C)(C)C(C)(C)C)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000816668039 727188096 /nfs/dbraw/zinc/18/80/96/727188096.db2.gz CTGCWEOWYSAUMM-SRVKXCTJSA-N -1 3 350.425 3.363 20 0 FGADHM O=C(Nc1cc(Br)ccc1[O-])c1conc1C(F)(F)F ZINC000816944154 727208455 /nfs/dbraw/zinc/20/84/55/727208455.db2.gz SYUJSFDFGWKSMA-UHFFFAOYSA-N -1 3 351.078 3.414 20 0 FGADHM COc1ccc(N[C@@H](C)c2ccncc2Cl)cc1[N-]S(C)(=O)=O ZINC000817582036 727268058 /nfs/dbraw/zinc/26/80/58/727268058.db2.gz WMYRGWMOBJGGBW-JTQLQIEISA-N -1 3 355.847 3.288 20 0 FGADHM COCCn1c(C)cc(C(=O)COC(=O)c2cc3ccsc3[n-]2)c1C ZINC000817704673 727277953 /nfs/dbraw/zinc/27/79/53/727277953.db2.gz XACFIZSUGIDWPE-UHFFFAOYSA-N -1 3 360.435 3.334 20 0 FGADHM COc1cccc(S([O-])=CC(=O)Oc2ccc(N3CCCC3)cc2)c1 ZINC000820210307 728974721 /nfs/dbraw/zinc/97/47/21/728974721.db2.gz ZSXWROQDEVRQEV-VWLOTQADSA-N -1 3 359.447 3.009 20 0 FGADHM CCOc1c(F)cccc1C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821389048 729082578 /nfs/dbraw/zinc/08/25/78/729082578.db2.gz FHYWQNPKUADJOX-UHFFFAOYSA-N -1 3 361.764 3.310 20 0 FGADHM CCOc1c(F)cccc1C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821389048 729082581 /nfs/dbraw/zinc/08/25/81/729082581.db2.gz FHYWQNPKUADJOX-UHFFFAOYSA-N -1 3 361.764 3.310 20 0 FGADHM C[C@@]1(CNC(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)CC1(Cl)Cl ZINC000821422263 729085954 /nfs/dbraw/zinc/08/59/54/729085954.db2.gz BSMZKAWQWUXXOQ-AWEZNQCLSA-N -1 3 361.175 3.120 20 0 FGADHM COc1ccc(Cl)cc1C(F)(F)C(=O)[N-][C@H](C)c1nccc(C)n1 ZINC000822988662 729241818 /nfs/dbraw/zinc/24/18/18/729241818.db2.gz PGYPMANNYPLNIU-SNVBAGLBSA-N -1 3 355.772 3.416 20 0 FGADHM CC(=O)CCCCCCNC(=O)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC000823389225 729274783 /nfs/dbraw/zinc/27/47/83/729274783.db2.gz RLBBGENNMMIHBT-UHFFFAOYSA-N -1 3 350.365 3.076 20 0 FGADHM Brc1ccc(NCCCc2ccccn2)c(-c2nnn[n-]2)c1 ZINC000823831849 729307456 /nfs/dbraw/zinc/30/74/56/729307456.db2.gz FMYIJCNJMRNHRI-UHFFFAOYSA-N -1 3 359.231 3.069 20 0 FGADHM Brc1ccc(NCCCc2ccccn2)c(-c2nn[n-]n2)c1 ZINC000823831849 729307458 /nfs/dbraw/zinc/30/74/58/729307458.db2.gz FMYIJCNJMRNHRI-UHFFFAOYSA-N -1 3 359.231 3.069 20 0 FGADHM CC(C)(C)[C@@H](NCCCOc1ccc(-c2nn[n-]n2)cc1)C(F)(F)F ZINC000824071822 729318237 /nfs/dbraw/zinc/31/82/37/729318237.db2.gz OBJYEFMGPGOOKC-CQSZACIVSA-N -1 3 357.380 3.202 20 0 FGADHM CC(C)CCC(=O)Nc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000824244329 729326442 /nfs/dbraw/zinc/32/64/42/729326442.db2.gz QSHZNRPQDUZOCA-UHFFFAOYSA-N -1 3 359.821 3.081 20 0 FGADHM CC(C)OCCCCNC(=O)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000824315542 729330325 /nfs/dbraw/zinc/33/03/25/729330325.db2.gz RRNLLSNOMUZCQK-UHFFFAOYSA-N -1 3 372.256 3.109 20 0 FGADHM CC(C)OCCCCNC(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000824315542 729330327 /nfs/dbraw/zinc/33/03/27/729330327.db2.gz RRNLLSNOMUZCQK-UHFFFAOYSA-N -1 3 372.256 3.109 20 0 FGADHM C[C@H](CN(C)c1cc(-c2nnn[n-]2)c2ccccc2n1)c1nccs1 ZINC000824413471 729336620 /nfs/dbraw/zinc/33/66/20/729336620.db2.gz LXVWUHXAYMACSW-LLVKDONJSA-N -1 3 351.439 3.111 20 0 FGADHM C[C@H](CN(C)c1cc(-c2nn[n-]n2)c2ccccc2n1)c1nccs1 ZINC000824413471 729336622 /nfs/dbraw/zinc/33/66/22/729336622.db2.gz LXVWUHXAYMACSW-LLVKDONJSA-N -1 3 351.439 3.111 20 0 FGADHM C[C@H](CN(C)c1ccc2cc(-c3nnn[n-]3)ccc2n1)c1nccs1 ZINC000824414182 729336714 /nfs/dbraw/zinc/33/67/14/729336714.db2.gz WPGOHGOEULMUBY-LLVKDONJSA-N -1 3 351.439 3.111 20 0 FGADHM C[C@H](CN(C)c1ccc2cc(-c3nn[n-]n3)ccc2n1)c1nccs1 ZINC000824414182 729336717 /nfs/dbraw/zinc/33/67/17/729336717.db2.gz WPGOHGOEULMUBY-LLVKDONJSA-N -1 3 351.439 3.111 20 0 FGADHM C[C@@H](Sc1ccc(N)cc1Cl)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000824755226 729357740 /nfs/dbraw/zinc/35/77/40/729357740.db2.gz KINZSLGVEULBHB-SECBINFHSA-N -1 3 374.857 3.222 20 0 FGADHM C[C@@H](Sc1ccc(N)cc1Cl)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000824755226 729357742 /nfs/dbraw/zinc/35/77/42/729357742.db2.gz KINZSLGVEULBHB-SECBINFHSA-N -1 3 374.857 3.222 20 0 FGADHM C[C@H]1C[C@@H](CCNc2ccc(-c3nn[n-]n3)cc2Br)CCO1 ZINC000824883342 729363578 /nfs/dbraw/zinc/36/35/78/729363578.db2.gz GOUNUCGZFLZALD-QWRGUYRKSA-N -1 3 366.263 3.246 20 0 FGADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)C=Cc1ccsc1C(F)(F)F)C2 ZINC000825041095 729368737 /nfs/dbraw/zinc/36/87/37/729368737.db2.gz VCVARKIPLPAKHD-IHWYPQMZSA-N -1 3 355.341 3.127 20 0 FGADHM CCC(CC)(CCO)CNc1ccc(Br)cc1-c1nnn[n-]1 ZINC000825090082 729370360 /nfs/dbraw/zinc/37/03/60/729370360.db2.gz SITMPAVYKIXKSW-UHFFFAOYSA-N -1 3 368.279 3.230 20 0 FGADHM CCC(CC)(CCO)CNc1ccc(Br)cc1-c1nn[n-]n1 ZINC000825090082 729370362 /nfs/dbraw/zinc/37/03/62/729370362.db2.gz SITMPAVYKIXKSW-UHFFFAOYSA-N -1 3 368.279 3.230 20 0 FGADHM CSc1ccc([O-])c(C(=O)N2CC[C@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC000825214617 729374710 /nfs/dbraw/zinc/37/47/10/729374710.db2.gz IKXRDNUGKASEMH-GFCCVEGCSA-N -1 3 366.483 3.101 20 0 FGADHM CCC[C@@H](C)NC(=O)[C@@H](C)Sc1cccc(Cl)c1-c1nnn[n-]1 ZINC000825232116 729375238 /nfs/dbraw/zinc/37/52/38/729375238.db2.gz CGLLBVJQBGEVAM-NXEZZACHSA-N -1 3 353.879 3.306 20 0 FGADHM CCC[C@@H](C)NC(=O)[C@@H](C)Sc1cccc(Cl)c1-c1nn[n-]n1 ZINC000825232116 729375241 /nfs/dbraw/zinc/37/52/41/729375241.db2.gz CGLLBVJQBGEVAM-NXEZZACHSA-N -1 3 353.879 3.306 20 0 FGADHM Cc1nc(Cl)c(Cl)cc1C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000825305098 729377797 /nfs/dbraw/zinc/37/77/97/729377797.db2.gz RQHLWLFXDBKIIM-UHFFFAOYSA-N -1 3 367.236 3.390 20 0 FGADHM CCCN(Cc1nc2c(s1)CCC2)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000825322809 729378726 /nfs/dbraw/zinc/37/87/26/729378726.db2.gz JMXPOGDKZKQIKE-UHFFFAOYSA-N -1 3 354.483 3.224 20 0 FGADHM CCN(Cc1ncc(COC)s1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825445300 729383699 /nfs/dbraw/zinc/38/36/99/729383699.db2.gz ZLPNDEVWWPWDEZ-LBPRGKRZSA-N -1 3 358.471 3.053 20 0 FGADHM CCN(Cc1ncc(COC)s1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825445300 729383701 /nfs/dbraw/zinc/38/37/01/729383701.db2.gz ZLPNDEVWWPWDEZ-LBPRGKRZSA-N -1 3 358.471 3.053 20 0 FGADHM O=C(NC[C@@H]1CC=CC[C@H]1C(F)(F)F)c1c[n-]c2ccccc2c1=O ZINC000825507365 729385842 /nfs/dbraw/zinc/38/58/42/729385842.db2.gz PRDKBQOHHFUXIJ-SMDDNHRTSA-N -1 3 350.340 3.403 20 0 FGADHM O=C(NC[C@@H]1CC=CC[C@H]1C(F)(F)F)c1cc(=O)c2ccccc2[n-]1 ZINC000825511258 729386273 /nfs/dbraw/zinc/38/62/73/729386273.db2.gz QIGWURGKROKWOT-WCQYABFASA-N -1 3 350.340 3.403 20 0 FGADHM Cc1c(Cl)cnc(N2CCC(c3cccnc3)CC2)c1-c1nnn[n-]1 ZINC000826238044 729406408 /nfs/dbraw/zinc/40/64/08/729406408.db2.gz UUFXIZGZAVJJHQ-UHFFFAOYSA-N -1 3 355.833 3.003 20 0 FGADHM Cc1c(Cl)cnc(N2CCC(c3cccnc3)CC2)c1-c1nn[n-]n1 ZINC000826238044 729406409 /nfs/dbraw/zinc/40/64/09/729406409.db2.gz UUFXIZGZAVJJHQ-UHFFFAOYSA-N -1 3 355.833 3.003 20 0 FGADHM Cc1c(Cl)cnc(N2CCc3c(F)cc(F)cc3C2)c1-c1nnn[n-]1 ZINC000826239156 729406699 /nfs/dbraw/zinc/40/66/99/729406699.db2.gz YYQBZIWESXLMAZ-UHFFFAOYSA-N -1 3 362.771 3.064 20 0 FGADHM Cc1c(Cl)cnc(N2CCc3c(F)cc(F)cc3C2)c1-c1nn[n-]n1 ZINC000826239156 729406700 /nfs/dbraw/zinc/40/67/00/729406700.db2.gz YYQBZIWESXLMAZ-UHFFFAOYSA-N -1 3 362.771 3.064 20 0 FGADHM Cc1cc(NCc2cc(-c3nnn[n-]3)cs2)nn1-c1cccc(F)c1 ZINC000826271298 729406991 /nfs/dbraw/zinc/40/69/91/729406991.db2.gz MCFDZSGTRCBJFX-UHFFFAOYSA-N -1 3 355.402 3.174 20 0 FGADHM Cc1cc(NCc2cc(-c3nn[n-]n3)cs2)nn1-c1cccc(F)c1 ZINC000826271298 729406993 /nfs/dbraw/zinc/40/69/93/729406993.db2.gz MCFDZSGTRCBJFX-UHFFFAOYSA-N -1 3 355.402 3.174 20 0 FGADHM Fc1ccccc1CN[C@H](c1cccc(-c2nnn[n-]2)c1)C(F)(F)F ZINC000826378228 729407611 /nfs/dbraw/zinc/40/76/11/729407611.db2.gz AGJWOWUDOZFIAP-CQSZACIVSA-N -1 3 351.307 3.399 20 0 FGADHM Fc1ccccc1CN[C@H](c1cccc(-c2nn[n-]n2)c1)C(F)(F)F ZINC000826378228 729407612 /nfs/dbraw/zinc/40/76/12/729407612.db2.gz AGJWOWUDOZFIAP-CQSZACIVSA-N -1 3 351.307 3.399 20 0 FGADHM O=C(Nc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1)c1cccs1 ZINC000826458280 729408128 /nfs/dbraw/zinc/40/81/28/729408128.db2.gz KIRPBOFPWQSTLD-UHFFFAOYSA-N -1 3 371.813 3.020 20 0 FGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1)[C@@H]1CCc2c1cccc2Cl ZINC000826466389 729408308 /nfs/dbraw/zinc/40/83/08/729408308.db2.gz ZTUWJPBGBVKSBX-OAHLLOKOSA-N -1 3 354.797 3.293 20 0 FGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1)[C@@H]1CCc2c1cccc2Cl ZINC000826466389 729408309 /nfs/dbraw/zinc/40/83/09/729408309.db2.gz ZTUWJPBGBVKSBX-OAHLLOKOSA-N -1 3 354.797 3.293 20 0 FGADHM O[C@@H](CCNc1ccc(Br)cc1-c1nnn[n-]1)c1ccccc1 ZINC000826502564 729408421 /nfs/dbraw/zinc/40/84/21/729408421.db2.gz GBNKCFDXYCLBFS-HNNXBMFYSA-N -1 3 374.242 3.165 20 0 FGADHM O[C@@H](CCNc1ccc(Br)cc1-c1nn[n-]n1)c1ccccc1 ZINC000826502564 729408423 /nfs/dbraw/zinc/40/84/23/729408423.db2.gz GBNKCFDXYCLBFS-HNNXBMFYSA-N -1 3 374.242 3.165 20 0 FGADHM CO[C@](C)(CNCc1c(F)ccc([O-])c1F)COCc1ccccc1 ZINC000826937398 729419480 /nfs/dbraw/zinc/41/94/80/729419480.db2.gz MWMXCYFUDBQHII-LJQANCHMSA-N -1 3 351.393 3.382 20 0 FGADHM C[C@@H]1CCN(Cc2cccc3cnccc32)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000827849192 729435919 /nfs/dbraw/zinc/43/59/19/729435919.db2.gz CSUUTNNBCGZZGY-WBMJQRKESA-N -1 3 351.372 3.124 20 0 FGADHM Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)c2ccc(N)cc2[O-])C1 ZINC000828307569 729442135 /nfs/dbraw/zinc/44/21/35/729442135.db2.gz QVAOQMCTSUTXSJ-ZDUSSCGKSA-N -1 3 359.857 3.193 20 0 FGADHM CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(OC3CC3)cc2)c1C ZINC000829696554 729503933 /nfs/dbraw/zinc/50/39/33/729503933.db2.gz DCVBQVREGIIIKT-UHFFFAOYSA-N -1 3 360.435 3.295 20 0 FGADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3cn4c(n3)CCC4)nc(=O)c2c1C ZINC000829839065 729515715 /nfs/dbraw/zinc/51/57/15/729515715.db2.gz QQAPBOUMGLIXHC-VIFPVBQESA-N -1 3 358.423 3.074 20 0 FGADHM Cc1nc(NC([O-])=NO[C@@H](CO)C(C)C)sc1Cc1ccccc1F ZINC000836756991 729968476 /nfs/dbraw/zinc/96/84/76/729968476.db2.gz ADAPYNJFBYVALD-AWEZNQCLSA-N -1 3 367.446 3.251 20 0 FGADHM Cc1nc(NC(=O)[N-]O[C@@H](CO)C(C)C)sc1Cc1ccccc1F ZINC000836756991 729968477 /nfs/dbraw/zinc/96/84/77/729968477.db2.gz ADAPYNJFBYVALD-AWEZNQCLSA-N -1 3 367.446 3.251 20 0 FGADHM Cc1ncc(Br)cc1NC(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC000836852894 729972114 /nfs/dbraw/zinc/97/21/14/729972114.db2.gz HHPDZDBGZSYHHY-UHFFFAOYSA-N -1 3 365.231 3.332 20 0 FGADHM CCc1ncc(C[N-]C(=O)C(F)(F)c2ccccc2Br)o1 ZINC000836990222 729984572 /nfs/dbraw/zinc/98/45/72/729984572.db2.gz BPZVXIIEPRADNI-UHFFFAOYSA-N -1 3 359.170 3.408 20 0 FGADHM O=C(COc1ccc(Cl)cc1Cl)OCc1cc(=O)[n-]c(C2CC2)n1 ZINC000837336053 730018935 /nfs/dbraw/zinc/01/89/35/730018935.db2.gz TXXNXFNKSGGDFB-UHFFFAOYSA-N -1 3 369.204 3.489 20 0 FGADHM CCOc1cc(C(=O)O[C@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)on1 ZINC000837923742 730076187 /nfs/dbraw/zinc/07/61/87/730076187.db2.gz LWNLLHXDNFZVAH-MRVPVSSYSA-N -1 3 363.395 3.318 20 0 FGADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3cnc(Cl)cn3)nc(=O)c2c1C ZINC000838362752 730113117 /nfs/dbraw/zinc/11/31/17/730113117.db2.gz VSIZCEPRHVABBX-ZETCQYMHSA-N -1 3 364.814 3.375 20 0 FGADHM CNc1ccc(C(=O)O[C@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)cn1 ZINC000840517971 730150617 /nfs/dbraw/zinc/15/06/17/730150617.db2.gz IPXZUCFDJGNOSX-SECBINFHSA-N -1 3 358.423 3.368 20 0 FGADHM CCCCc1nc(NC(=O)C2SCCCS2)c(C(=O)OCC)[n-]1 ZINC000841196350 730222522 /nfs/dbraw/zinc/22/25/22/730222522.db2.gz BZPAMWVQZJVYTO-UHFFFAOYSA-N -1 3 357.501 3.064 20 0 FGADHM CCCSC[C@@H](NCc1cnn(Cc2ccccc2)c1Cl)C(=O)[O-] ZINC000841797205 730275127 /nfs/dbraw/zinc/27/51/27/730275127.db2.gz WWJQXVIHFHLNPK-OAHLLOKOSA-N -1 3 367.902 3.271 20 0 FGADHM CCCCn1nc(C)c(CNCCc2cccc(C(=O)[O-])n2)c1Cl ZINC000841816917 730278585 /nfs/dbraw/zinc/27/85/85/730278585.db2.gz XTWDBAGUJCSFKR-UHFFFAOYSA-N -1 3 350.850 3.071 20 0 FGADHM CC[C@@H](COC(=O)c1n[n-]c(-c2ccccc2)c1Br)OC ZINC000842086878 730293112 /nfs/dbraw/zinc/29/31/12/730293112.db2.gz SCIWHYUAOLSXNC-NSHDSACASA-N -1 3 353.216 3.421 20 0 FGADHM O=S(=O)([N-]Cc1ccc2c(c1)CCCN2)c1ccc(Cl)nc1Cl ZINC000842879897 730553577 /nfs/dbraw/zinc/55/35/77/730553577.db2.gz LREXJYQUHOXHKN-UHFFFAOYSA-N -1 3 372.277 3.225 20 0 FGADHM C[C@H](OC(=O)c1ccc(N)c(Cl)c1[O-])C(=O)NCCC1=CCCCC1 ZINC000845195703 730818341 /nfs/dbraw/zinc/81/83/41/730818341.db2.gz YZSNPXZJFKUNBV-NSHDSACASA-N -1 3 366.845 3.180 20 0 FGADHM CC(C)(C)C(=O)N1CCC(COC(=O)c2ccc(N)c(Cl)c2[O-])CC1 ZINC000845194059 730818373 /nfs/dbraw/zinc/81/83/73/730818373.db2.gz WWSLVOOBNGMLDC-UHFFFAOYSA-N -1 3 368.861 3.069 20 0 FGADHM Cc1sc2[n-]c([C@H](C)OC(=O)C[C@H](C)n3ccnc3)nc(=O)c2c1C ZINC000845280192 730826693 /nfs/dbraw/zinc/82/66/93/730826693.db2.gz GXNNXFWDNXWTHX-ONGXEEELSA-N -1 3 360.439 3.466 20 0 FGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]CC[C@@]2(C)C[C@@]2(F)Cl)c1 ZINC000845984821 730916080 /nfs/dbraw/zinc/91/60/80/730916080.db2.gz ZBEFGNCQLLAIJG-STQMWFEESA-N -1 3 356.246 3.332 20 0 FGADHM O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2CN1Cc1csc(COc2ccccc2)n1 ZINC000846277067 730942655 /nfs/dbraw/zinc/94/26/55/730942655.db2.gz CZXDJQFNCWCWFJ-QBIMZIAESA-N -1 3 358.463 3.407 20 0 FGADHM O=C([O-])CC[C@@H]1CCCN(C[C@H](O)c2ccccc2Br)C1 ZINC000846281741 730943423 /nfs/dbraw/zinc/94/34/23/730943423.db2.gz QHFJYGLHQIQHPZ-WFASDCNBSA-N -1 3 356.260 3.059 20 0 FGADHM O=C([O-])CC[C@H]1CCCN(C[C@@H](O)c2ccccc2Br)C1 ZINC000846281739 730943490 /nfs/dbraw/zinc/94/34/90/730943490.db2.gz QHFJYGLHQIQHPZ-IUODEOHRSA-N -1 3 356.260 3.059 20 0 FGADHM CC(C)(C)OC(=O)N1CCOC[C@@H]1CC(=O)Nc1c([O-])cccc1Cl ZINC000848140413 731134633 /nfs/dbraw/zinc/13/46/33/731134633.db2.gz QLRBBVYNYACSLO-NSHDSACASA-N -1 3 370.833 3.010 20 0 FGADHM CO[C@H](CS(=O)(=O)[N-]CC(=O)c1ccccc1Cl)C1CCCCC1 ZINC000849386449 731254912 /nfs/dbraw/zinc/25/49/12/731254912.db2.gz IBDDTDCVMLRFRZ-QGZVFWFLSA-N -1 3 373.902 3.037 20 0 FGADHM CCC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C[C@@]2(C)CC2(F)F)c1 ZINC000849460847 731262377 /nfs/dbraw/zinc/26/23/77/731262377.db2.gz QKRLUGXKXZYSRV-CYBMUJFWSA-N -1 3 351.802 3.256 20 0 FGADHM O=S(=O)([N-]CCC1SCCS1)c1c(Cl)cccc1Cl ZINC000851846192 731508289 /nfs/dbraw/zinc/50/82/89/731508289.db2.gz PZEUBWBHGMPNSW-UHFFFAOYSA-N -1 3 358.337 3.468 20 0 FGADHM O=C([N-]CC1CCN(Cc2nsc3ccccc32)CC1)C(F)(F)F ZINC000852007055 731531648 /nfs/dbraw/zinc/53/16/48/731531648.db2.gz JTZGJKAEHMVDMD-UHFFFAOYSA-N -1 3 357.401 3.187 20 0 FGADHM O=C([N-]CCCN1CC[C@@H]1c1ccc(Br)cc1)C(F)(F)F ZINC000852689062 731620819 /nfs/dbraw/zinc/62/08/19/731620819.db2.gz QXEZSSNDPVTTCA-GFCCVEGCSA-N -1 3 365.193 3.265 20 0 FGADHM Cc1ccc2ccnc(N3CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C3)c2c1 ZINC000853986621 731782396 /nfs/dbraw/zinc/78/23/96/731782396.db2.gz PAZQXYMEFYKSMP-DOMZBBRYSA-N -1 3 351.372 3.437 20 0 FGADHM C[C@@H]1N(C(=O)NCc2nc(C(F)(F)F)n[n-]2)c2ccccc2C1(C)C ZINC000854005276 731784103 /nfs/dbraw/zinc/78/41/03/731784103.db2.gz RWIUBMHOLBBMTP-VIFPVBQESA-N -1 3 353.348 3.219 20 0 FGADHM Cc1cccc(Cl)c1C(=O)N[C@H](C)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000854456470 731830930 /nfs/dbraw/zinc/83/09/30/731830930.db2.gz UYLLCWPKHDUKFI-VXGBXAGGSA-N -1 3 361.829 3.142 20 0 FGADHM CCOC(=O)Nc1scnc1C(=O)[N-]c1cc(C(=O)OC)sc1C ZINC000854906372 731874427 /nfs/dbraw/zinc/87/44/27/731874427.db2.gz GQWIEUAKDSMBNP-UHFFFAOYSA-N -1 3 369.424 3.120 20 0 FGADHM Cc1cccnc1C(F)(F)C(=O)[N-]C[C@@H](OC1CCCC1)C(F)(F)F ZINC000855390987 731924251 /nfs/dbraw/zinc/92/42/51/731924251.db2.gz GCRXJECZZUZTNG-GFCCVEGCSA-N -1 3 366.330 3.488 20 0 FGADHM O=C([N-]CCO[C@H]1CC1(F)F)C(F)(F)c1ccc(Br)cc1 ZINC000855606092 731941060 /nfs/dbraw/zinc/94/10/60/731941060.db2.gz HFUPFRGNFIQYEQ-JTQLQIEISA-N -1 3 370.140 3.081 20 0 FGADHM CC[C@@](C)(NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)C1CC1 ZINC000855881102 731964862 /nfs/dbraw/zinc/96/48/62/731964862.db2.gz WCVWLAZJGCRYTI-GOSISDBHSA-N -1 3 370.490 3.211 20 0 FGADHM C[C@H](CNC(=O)c1cc([O-])cc(C(F)(F)F)c1)NC(=O)OC(C)(C)C ZINC000857199610 732111294 /nfs/dbraw/zinc/11/12/94/732111294.db2.gz AWQSJYSKHVLHJC-SECBINFHSA-N -1 3 362.348 3.054 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)C[C@@H](O)c2ccc(F)cc2)c(F)c1F ZINC000859070543 732274393 /nfs/dbraw/zinc/27/43/93/732274393.db2.gz ZYQKKSBSJWKZKJ-SMDDNHRTSA-N -1 3 373.396 3.203 20 0 FGADHM O=C([O-])C[C@]1(NCc2cc(C(F)(F)F)ccc2Cl)CCCOC1 ZINC000859814114 732398158 /nfs/dbraw/zinc/39/81/58/732398158.db2.gz QVNDAXIOXFPNPE-CQSZACIVSA-N -1 3 351.752 3.472 20 0 FGADHM [O-]c1ccc(F)c(CNC[C@@H]2CN(c3ccc(Cl)cc3)CCO2)c1F ZINC000862483218 732840094 /nfs/dbraw/zinc/84/00/94/732840094.db2.gz PZPFYSNUTLOQPH-CQSZACIVSA-N -1 3 368.811 3.319 20 0 FGADHM COC(=O)c1cnc(SCC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)[n-]1 ZINC000863323287 732945188 /nfs/dbraw/zinc/94/51/88/732945188.db2.gz JSAYOOYXKOQEIC-BDAKNGLRSA-N -1 3 350.362 3.226 20 0 FGADHM Cc1cc(=O)[n-]c(CS[C@@H]2CCN(c3ccc(Cl)cc3F)C2=O)n1 ZINC000863394877 732956934 /nfs/dbraw/zinc/95/69/34/732956934.db2.gz SMVRMCKYZIDZGK-CYBMUJFWSA-N -1 3 367.833 3.322 20 0 FGADHM CC(C)OC[C@H](NCc1cc(Br)c(Cl)s1)C(=O)[O-] ZINC000864517698 733071296 /nfs/dbraw/zinc/07/12/96/733071296.db2.gz KZVHPFJDFYIJPZ-VIFPVBQESA-N -1 3 356.669 3.132 20 0 FGADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)[C@@H](Cc1cccnc1)C1CCCC1 ZINC000864974272 733122905 /nfs/dbraw/zinc/12/29/05/733122905.db2.gz CILIQVHKROPZOF-LBPRGKRZSA-N -1 3 353.348 3.206 20 0 FGADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)[C@@H](Cc1cccnc1)C1CCCC1 ZINC000864974272 733122909 /nfs/dbraw/zinc/12/29/09/733122909.db2.gz CILIQVHKROPZOF-LBPRGKRZSA-N -1 3 353.348 3.206 20 0 FGADHM CC[C@@H](NCc1nc2c(c(=O)[n-]1)COCC2)c1cccc(Cl)c1F ZINC000866627727 733376310 /nfs/dbraw/zinc/37/63/10/733376310.db2.gz BZYVCPDCGGJFEJ-CYBMUJFWSA-N -1 3 351.809 3.288 20 0 FGADHM O=S(=O)(c1nc[n-]c1Br)N(CC1CCC1)c1ccccc1 ZINC000866938678 733413619 /nfs/dbraw/zinc/41/36/19/733413619.db2.gz SSMVKPCFJUHYLM-UHFFFAOYSA-N -1 3 370.272 3.168 20 0 FGADHM CC(=O)c1cccc(NC(=O)c2cnn(C(C)C)c2Br)c1[O-] ZINC000868346182 733585224 /nfs/dbraw/zinc/58/52/24/733585224.db2.gz ALQDAKRQJKQMNI-UHFFFAOYSA-N -1 3 366.215 3.387 20 0 FGADHM CC(C)(C)OC(=O)N1CC[C@H](CC(=O)[N-]OCCCC(F)(F)F)C1 ZINC000871215359 733923916 /nfs/dbraw/zinc/92/39/16/733923916.db2.gz ZFRRAWGKJAIEKJ-LLVKDONJSA-N -1 3 354.369 3.024 20 0 FGADHM C[C@@H]1[C@@H](C(=O)[N-]OCCCC(F)(F)F)CCN1C(=O)OC(C)(C)C ZINC000871215320 733923952 /nfs/dbraw/zinc/92/39/52/733923952.db2.gz YAQDUERCOXFNMC-MNOVXSKESA-N -1 3 354.369 3.022 20 0 FGADHM O=C([N-]CC[C@H]1CN(C(=O)C2CCCC2)c2ccccc21)C(F)(F)F ZINC000871312970 733931702 /nfs/dbraw/zinc/93/17/02/733931702.db2.gz MZDDTEQLUZORKN-ZDUSSCGKSA-N -1 3 354.372 3.376 20 0 FGADHM COC(=O)c1cc(C)nc2nc(SCSC(C)(C)C)[n-]c(=O)c12 ZINC000871651601 733956706 /nfs/dbraw/zinc/95/67/06/733956706.db2.gz IOWFJFXDFPLPRC-UHFFFAOYSA-N -1 3 353.469 3.407 20 0 FGADHM CO[C@H](CN1C[C@H](C(=O)[O-])[C@@H](C(F)(F)F)C1)c1ccc(Cl)cc1 ZINC000872168356 735599445 /nfs/dbraw/zinc/59/94/45/735599445.db2.gz URYMTXYNBKHCGL-RWMBFGLXSA-N -1 3 351.752 3.222 20 0 FGADHM C[C@H](c1ccc(F)c(Cl)c1)N1C[C@@H](C(=O)[O-])C[C@@H](c2cnn(C)c2)C1 ZINC000873644266 735791354 /nfs/dbraw/zinc/79/13/54/735791354.db2.gz OGJATPUSRJPEGF-BNOWGMLFSA-N -1 3 365.836 3.464 20 0 FGADHM Cn1nc(C(=O)[O-])cc1CN1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000874041399 735831451 /nfs/dbraw/zinc/83/14/51/735831451.db2.gz UXHGPSCUNXTSNC-LBPRGKRZSA-N -1 3 353.344 3.127 20 0 FGADHM Cc1nn(Cc2ccccc2Cl)c(Cl)c1CN[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000874046669 735832023 /nfs/dbraw/zinc/83/20/23/735832023.db2.gz HHMGCWJCPWGCCT-BETUJISGSA-N -1 3 368.264 3.499 20 0 FGADHM C[C@@H](CO[N-]C(=O)CC(C)(C)CC(F)(F)F)NC(=O)OC(C)(C)C ZINC000879345578 736982770 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Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc(-n3nccn3)cc2)c1C ZINC000917738875 758264591 /nfs/dbraw/zinc/26/45/91/758264591.db2.gz LRRYADVOTRQQTG-UHFFFAOYSA-N -1 3 356.451 3.302 20 0 FGADHM O=C(COC(=O)c1cc2ccsc2[n-]1)NCCc1c(F)cccc1F ZINC000918940166 758384593 /nfs/dbraw/zinc/38/45/93/758384593.db2.gz XMGFWPPVXLLCSS-UHFFFAOYSA-N -1 3 364.373 3.023 20 0 FGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H]2CCC[C@H](C)C2)ccc1F ZINC000919867010 758483065 /nfs/dbraw/zinc/48/30/65/758483065.db2.gz SVEONEDCWHWALA-UONOGXRCSA-N -1 3 370.490 3.069 20 0 FGADHM O=S(=O)([N-]Cc1cc(C(F)F)on1)c1cc(C(F)(F)F)ccc1F ZINC000921337732 758689691 /nfs/dbraw/zinc/68/96/91/758689691.db2.gz TVHZHRZBCGULOE-UHFFFAOYSA-N -1 3 374.262 3.249 20 0 FGADHM Cc1cnc(CNC(=O)NCc2ccc([O-])c(Br)c2)c(C)c1 ZINC000921526055 758734576 /nfs/dbraw/zinc/73/45/76/758734576.db2.gz ZAUNSYHJEKHETC-UHFFFAOYSA-N -1 3 364.243 3.166 20 0 FGADHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CCCSC[C@H]1c1ccccc1 ZINC000921643664 758762167 /nfs/dbraw/zinc/76/21/67/758762167.db2.gz 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FGADHM COc1cccc2c(C(=O)Nc3ccc(N4CCCCC4)nc3)n[n-]c21 ZINC000580000381 505658389 /nfs/dbraw/zinc/65/83/89/505658389.db2.gz FUDGGYOAKGYSDU-UHFFFAOYSA-N -1 3 351.410 3.209 20 0 FGADHM CC[C@H](CNC(=O)Cc1cncc([O-])c1)Oc1ccccc1C(F)(F)F ZINC000573981207 505665972 /nfs/dbraw/zinc/66/59/72/505665972.db2.gz KEMGPRJBWABRHT-CQSZACIVSA-N -1 3 368.355 3.322 20 0 FGADHM Cc1oc(C(=O)[O-])cc1CN1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000573983307 505666024 /nfs/dbraw/zinc/66/60/24/505666024.db2.gz SMVLLBWFQKCUTR-AWEZNQCLSA-N -1 3 361.360 3.467 20 0 FGADHM CCCCn1cc(C[N-]S(=O)(=O)c2cc(Cl)ccc2F)c(C)n1 ZINC000580056060 505671379 /nfs/dbraw/zinc/67/13/79/505671379.db2.gz PKVGLMVCCXAOFO-UHFFFAOYSA-N -1 3 359.854 3.263 20 0 FGADHM CCOc1ccncc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccc(Cl)c(F)c1 ZINC000577150562 505673975 /nfs/dbraw/zinc/67/39/75/505673975.db2.gz SKMGZJBPBTZVCY-SMDDNHRTSA-N -1 3 370.833 3.107 20 0 FGADHM O=C(N[C@@H]1CCCc2cc(OC(F)F)ccc21)c1ccc2n[n-]nc2c1 ZINC000057550672 493772290 /nfs/dbraw/zinc/77/22/90/493772290.db2.gz CJBJYCQOPKXHMR-CQSZACIVSA-N -1 3 358.348 3.367 20 0 FGADHM COc1ccccc1-c1nc(NC(=O)COc2c(C)cc(C)cc2C)n[n-]1 ZINC000048012242 493772696 /nfs/dbraw/zinc/77/26/96/493772696.db2.gz GTWADPUDXNLYDY-UHFFFAOYSA-N -1 3 366.421 3.423 20 0 FGADHM CCn1cnc(S(=O)(=O)[N-][C@@H]2CCc3c2ccc(Cl)c3Cl)c1 ZINC000080754750 493773462 /nfs/dbraw/zinc/77/34/62/493773462.db2.gz HEJQHVMKXXSMJM-GFCCVEGCSA-N -1 3 360.266 3.176 20 0 FGADHM CS(=O)(=O)Cc1cccc(NC(=O)c2cc3c(cc2[O-])CCCC3)c1 ZINC000057558169 493773612 /nfs/dbraw/zinc/77/36/12/493773612.db2.gz KWSGPIVCKJGHBJ-UHFFFAOYSA-N -1 3 359.447 3.068 20 0 FGADHM COc1cc(CN(C)C(=O)c2cc(NC(C)=O)ccc2[O-])ccc1SC ZINC000057558915 493773742 /nfs/dbraw/zinc/77/37/42/493773742.db2.gz PPQXGVHFUNYYRV-UHFFFAOYSA-N -1 3 374.462 3.353 20 0 FGADHM Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)CCc2c(C)nc(C)[n-]c2=O)cc1 ZINC000080775105 493777654 /nfs/dbraw/zinc/77/76/54/493777654.db2.gz GXEOIALBRYSAHQ-VQTJNVASSA-N -1 3 367.493 3.422 20 0 FGADHM CC(C)(C)c1ccccc1S(=O)(=O)[N-]c1ccc(C(N)=O)cc1F ZINC000080782001 493777883 /nfs/dbraw/zinc/77/78/83/493777883.db2.gz FQVOTPLTVDWMCG-UHFFFAOYSA-N -1 3 350.415 3.023 20 0 FGADHM COC[C@@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1C)c1ccco1 ZINC000080790612 493778912 /nfs/dbraw/zinc/77/89/12/493778912.db2.gz DSIWLXQWQMDMGO-GFCCVEGCSA-N -1 3 363.357 3.273 20 0 FGADHM Cc1oc2ncn(C)c(=O)c2c1C(=O)[N-]c1nc2ccc(C)cc2s1 ZINC000028241172 493781702 /nfs/dbraw/zinc/78/17/02/493781702.db2.gz AGBKEOKWSAHFLI-UHFFFAOYSA-N -1 3 354.391 3.005 20 0 FGADHM CS(=O)(=O)[N-]c1ccc(C(=O)N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)cc1 ZINC000028329334 493785886 /nfs/dbraw/zinc/78/58/86/493785886.db2.gz SYNDTDOTKYHOED-FRFSOERESA-N -1 3 350.484 3.147 20 0 FGADHM O=C(c1cccc([O-])c1)N1CCN(Cc2ncc(-c3ccccc3)o2)CC1 ZINC000081011462 493812255 /nfs/dbraw/zinc/81/22/55/493812255.db2.gz VCZXEAALTBGSIU-UHFFFAOYSA-N -1 3 363.417 3.005 20 0 FGADHM O=C1[N-]C(=O)C(=CN[C@@H](c2ccccc2)c2ccccn2)c2ccccc21 ZINC000029185360 493824286 /nfs/dbraw/zinc/82/42/86/493824286.db2.gz YGBQIEDXXQVQBF-GJPUVDBCSA-N -1 3 355.397 3.072 20 0 FGADHM Cn1c2ccccc2nc1[C@@H]1CCCN1C(=O)c1c[n-]c2ccccc2c1=O ZINC000068465687 493826480 /nfs/dbraw/zinc/82/64/80/493826480.db2.gz RMFIVIQNDYBVJK-IBGZPJMESA-N -1 3 372.428 3.392 20 0 FGADHM COc1ccc(Br)cc1S(=O)(=O)[N-]C[C@H](C)C(C)C ZINC000081109551 493834519 /nfs/dbraw/zinc/83/45/19/493834519.db2.gz WVLJQFCVZCNKKY-JTQLQIEISA-N -1 3 350.278 3.028 20 0 FGADHM CC(C)(C)NC(=O)c1ccc(NC(=O)c2cc(-c3ccco3)[n-]n2)cc1 ZINC000029804889 493859431 /nfs/dbraw/zinc/85/94/31/493859431.db2.gz MHHUUHZWDPHQHP-UHFFFAOYSA-N -1 3 352.394 3.450 20 0 FGADHM CC(C)(C)NC(=O)c1ccc(NC(=O)c2cc(-c3ccco3)n[n-]2)cc1 ZINC000029804889 493859434 /nfs/dbraw/zinc/85/94/34/493859434.db2.gz MHHUUHZWDPHQHP-UHFFFAOYSA-N -1 3 352.394 3.450 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(NCCOc3ccc(F)cc3F)nc2)n1 ZINC000068702608 493860152 /nfs/dbraw/zinc/86/01/52/493860152.db2.gz HNNLBMSYMPELKF-UHFFFAOYSA-N -1 3 372.375 3.163 20 0 FGADHM O=C(Nc1cccc(Cl)c1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000058763447 493882489 /nfs/dbraw/zinc/88/24/89/493882489.db2.gz JOPYHSOJDBULGD-UHFFFAOYSA-N -1 3 359.813 3.036 20 0 FGADHM CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)c1ccc2n[n-]nc2c1 ZINC000030313572 493886229 /nfs/dbraw/zinc/88/62/29/493886229.db2.gz APZIKTZFDHXLPF-UHFFFAOYSA-N -1 3 350.300 3.129 20 0 FGADHM CCO[C@@H](C)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000058819004 493886836 /nfs/dbraw/zinc/88/68/36/493886836.db2.gz LCCDOZRVFOEJPQ-AWEZNQCLSA-N -1 3 362.451 3.159 20 0 FGADHM O=S(=O)([N-][C@@H](c1cccs1)c1ccc(F)cc1)c1cncc(F)c1 ZINC000068961344 493900493 /nfs/dbraw/zinc/90/04/93/493900493.db2.gz KPNALLCNRCGJKA-MRXNPFEDSA-N -1 3 366.414 3.489 20 0 FGADHM Cc1ccc(SCCC(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000068973800 493902932 /nfs/dbraw/zinc/90/29/32/493902932.db2.gz UMSHCUPYRFVZIR-UHFFFAOYSA-N -1 3 367.478 3.282 20 0 FGADHM Cc1ccc(SCCC(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000068973800 493902936 /nfs/dbraw/zinc/90/29/36/493902936.db2.gz 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CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)c1c([O-])cccc1O ZINC000092117898 494795860 /nfs/dbraw/zinc/79/58/60/494795860.db2.gz AMQDRXQZKDMMFQ-UHFFFAOYSA-N -1 3 351.406 3.193 20 0 FGADHM CN(CCc1ccc(Br)cc1)C(=O)c1c([O-])cccc1O ZINC000092121295 494796070 /nfs/dbraw/zinc/79/60/70/494796070.db2.gz RANQVCYMTDEBGM-UHFFFAOYSA-N -1 3 350.212 3.175 20 0 FGADHM Cc1cccc(C(=O)Nc2cccc(NC(=O)[C@H](C)n3cccn3)c2)c1[O-] ZINC000121576942 494808315 /nfs/dbraw/zinc/80/83/15/494808315.db2.gz RTQNUUJBSWVIMH-AWEZNQCLSA-N -1 3 364.405 3.349 20 0 FGADHM Cc1c2cc(F)ccc2oc1CNC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000126651250 494810496 /nfs/dbraw/zinc/81/04/96/494810496.db2.gz JZXFCZVZKCQXOD-UHFFFAOYSA-N -1 3 367.336 3.086 20 0 FGADHM C[S@](=O)Cc1cccc(C(=O)Nc2cc(Br)ccc2[O-])c1 ZINC000126673582 494817538 /nfs/dbraw/zinc/81/75/38/494817538.db2.gz YFEWNBOJJSUQTM-OAQYLSRUSA-N -1 3 368.252 3.286 20 0 FGADHM Cc1noc(C)c1C[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000109065023 494825590 /nfs/dbraw/zinc/82/55/90/494825590.db2.gz JKZVQDAKPHFGLY-UHFFFAOYSA-N -1 3 368.764 3.442 20 0 FGADHM COc1ccc([O-])c(C(=O)Nc2ccccc2C(=O)N2CCCCC2)c1 ZINC000121649463 494830824 /nfs/dbraw/zinc/83/08/24/494830824.db2.gz BXKXPRGUEFMQLK-UHFFFAOYSA-N -1 3 354.406 3.279 20 0 FGADHM COC(=O)C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C)c1cccs1 ZINC000026768849 494836526 /nfs/dbraw/zinc/83/65/26/494836526.db2.gz OQHBMNFPRPLKBM-LBPRGKRZSA-N -1 3 373.883 3.293 20 0 FGADHM CCOC(=O)c1c(C)c(C(=O)NC)sc1[N-]C(=O)c1ccc(Cl)o1 ZINC000026890145 494844337 /nfs/dbraw/zinc/84/43/37/494844337.db2.gz FBQKLBJPPFTNPY-UHFFFAOYSA-N -1 3 370.814 3.092 20 0 FGADHM O=C(COc1cc(Cl)c(Cl)cc1Cl)[N-]N1CCCCC1=O ZINC000121749447 494852239 /nfs/dbraw/zinc/85/22/39/494852239.db2.gz KTEDTBDXLWLJNJ-UHFFFAOYSA-N -1 3 351.617 3.069 20 0 FGADHM O=S(=O)([N-]C[C@H]1CCC[C@@H](O)C1)c1ccc(Cl)cc1C(F)(F)F ZINC000121763073 494855138 /nfs/dbraw/zinc/85/51/38/494855138.db2.gz HGGUUXDFBMWTPK-GXSJLCMTSA-N -1 3 371.808 3.188 20 0 FGADHM CC(C)(C)CCN1CCN(C(=O)c2ccc(Br)cc2[O-])CC1 ZINC000109362825 494863892 /nfs/dbraw/zinc/86/38/92/494863892.db2.gz WTBZMBWQDNTIES-UHFFFAOYSA-N -1 3 369.303 3.349 20 0 FGADHM O=S(=O)(Cc1ccc(F)cc1F)[N-]Cc1nc2ccccc2s1 ZINC000126985743 494873920 /nfs/dbraw/zinc/87/39/20/494873920.db2.gz BJXGCJWMBNFEBS-UHFFFAOYSA-N -1 3 354.403 3.194 20 0 FGADHM COc1ccc([C@@H](CO)N(C)Cc2cc([O-])ccc2Br)cc1 ZINC000093415702 494889570 /nfs/dbraw/zinc/88/95/70/494889570.db2.gz BIHXHERYJOMLAG-QGZVFWFLSA-N -1 3 366.255 3.329 20 0 FGADHM CCN(Cc1cccc(F)c1)C(=O)CSc1n[n-]c(-c2ccccn2)n1 ZINC000117113055 494892368 /nfs/dbraw/zinc/89/23/68/494892368.db2.gz BIBAAMBAVPJCCG-UHFFFAOYSA-N -1 3 371.441 3.147 20 0 FGADHM CSCc1cc(F)ccc1CNC(=O)c1c[n-]nc1-c1ccccn1 ZINC000574326727 505748105 /nfs/dbraw/zinc/74/81/05/505748105.db2.gz LSKGNMKZDCSMQZ-UHFFFAOYSA-N -1 3 356.426 3.404 20 0 FGADHM C[C@H](Sc1n[n-]c(-c2ccccn2)n1)C(=O)NCc1ccc(Cl)cc1 ZINC000117115189 494893639 /nfs/dbraw/zinc/89/36/39/494893639.db2.gz BIDMXZQUNHNKTH-NSHDSACASA-N -1 3 373.869 3.317 20 0 FGADHM COc1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1CCCC1(C)C ZINC000094268820 494956526 /nfs/dbraw/zinc/95/65/26/494956526.db2.gz INJDNOYCNCGHAD-CYBMUJFWSA-N -1 3 362.289 3.315 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)c1ccccc1COC1CCOCC1 ZINC000127137964 494899456 /nfs/dbraw/zinc/89/94/56/494899456.db2.gz IJJAKXSTWQBSQZ-UHFFFAOYSA-N -1 3 359.397 3.157 20 0 FGADHM Cc1cc([N-]C(=O)[C@@H](C)N2CCC(C(F)(F)F)(C(F)(F)F)C2)on1 ZINC000117354205 494913193 /nfs/dbraw/zinc/91/31/93/494913193.db2.gz HAGVZUKKPOZZTC-MRVPVSSYSA-N -1 3 359.270 3.127 20 0 FGADHM O=S(=O)([N-][C@@H]1CCO[C@@H](c2ccccn2)C1)c1ccc(F)cc1Cl ZINC000580397886 505749568 /nfs/dbraw/zinc/74/95/68/505749568.db2.gz HPEWALNFXRNYHF-IUODEOHRSA-N -1 3 370.833 3.073 20 0 FGADHM COc1cc(CCC(=O)Nc2ccncc2[O-])ccc1OCC(F)(F)F ZINC000109889454 494930381 /nfs/dbraw/zinc/93/03/81/494930381.db2.gz GSSAMXIXMHWTQT-UHFFFAOYSA-N -1 3 370.327 3.308 20 0 FGADHM CC(C)CC(=O)NCCc1ccc(S(=O)(=O)[N-][C@H](C)C(C)(C)C)s1 ZINC000093913281 494934895 /nfs/dbraw/zinc/93/48/95/494934895.db2.gz RHOLIRXJKLYIDQ-CYBMUJFWSA-N -1 3 374.572 3.166 20 0 FGADHM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)c(OCCN(C)C)c1 ZINC000127389587 494937667 /nfs/dbraw/zinc/93/76/67/494937667.db2.gz MYHGWRBCFCFSSM-UHFFFAOYSA-N -1 3 374.915 3.451 20 0 FGADHM COc1cc(C)cc(C(=O)Nc2ccc(Cl)c(C(=O)N(C)C)c2)c1[O-] ZINC000093961944 494938243 /nfs/dbraw/zinc/93/82/43/494938243.db2.gz HCEBQDGDZFVHCN-UHFFFAOYSA-N -1 3 362.813 3.317 20 0 FGADHM Cc1ccc([N-]S(=O)(=O)c2cc(F)ccc2F)c(OCCN(C)C)c1 ZINC000127394015 494938248 /nfs/dbraw/zinc/93/82/48/494938248.db2.gz ATVHAAQXDCNYDY-UHFFFAOYSA-N -1 3 370.421 3.014 20 0 FGADHM Cc1cccc(Cl)c1NC(=O)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000132915253 494941878 /nfs/dbraw/zinc/94/18/78/494941878.db2.gz WCIVTQIDEHZUAP-UHFFFAOYSA-N -1 3 373.840 3.344 20 0 FGADHM CC[C@@H](Cc1ccccc1)N(CC)C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000127433988 494943386 /nfs/dbraw/zinc/94/33/86/494943386.db2.gz WOOYZUMWRSFVDN-INIZCTEOSA-N -1 3 365.433 3.445 20 0 FGADHM CCc1ccc([O-])c(C(=O)NCc2cccc(NC(=O)[C@@H]3CCCO3)c2)c1 ZINC000132924286 494943860 /nfs/dbraw/zinc/94/38/60/494943860.db2.gz UVKDCJFHPYPFHT-IBGZPJMESA-N -1 3 368.433 3.002 20 0 FGADHM COCCn1ccc(NC(=O)c2cc(OCc3ccccc3)ccc2[O-])n1 ZINC000094086818 494947188 /nfs/dbraw/zinc/94/71/88/494947188.db2.gz XBJBCWNWQUNFRE-UHFFFAOYSA-N -1 3 367.405 3.066 20 0 FGADHM COc1cc(Br)ccc1C(=O)NCc1ccc([O-])c(F)c1 ZINC000132970611 494950351 /nfs/dbraw/zinc/95/03/51/494950351.db2.gz ALVGLVAVSROHRS-UHFFFAOYSA-N -1 3 354.175 3.232 20 0 FGADHM O=C(CSc1ccccc1Cl)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000127498683 494952846 /nfs/dbraw/zinc/95/28/46/494952846.db2.gz YEUIKHXADLOCRT-UHFFFAOYSA-N -1 3 359.842 3.175 20 0 FGADHM O=C(CSc1ccccc1Cl)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000127498683 494952851 /nfs/dbraw/zinc/95/28/51/494952851.db2.gz YEUIKHXADLOCRT-UHFFFAOYSA-N -1 3 359.842 3.175 20 0 FGADHM COc1ccccc1-c1nc(NC(=O)C[C@@H]2CCOc3ccccc32)n[n-]1 ZINC000117764095 494954115 /nfs/dbraw/zinc/95/41/15/494954115.db2.gz BYUQPZWYVRUHPK-ZDUSSCGKSA-N -1 3 364.405 3.375 20 0 FGADHM CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1ccccc1[O-] ZINC000127520489 494956261 /nfs/dbraw/zinc/95/62/61/494956261.db2.gz JSOBFVVLARHPOA-KBXCAEBGSA-N -1 3 352.434 3.330 20 0 FGADHM Cc1cc(S(C)(=O)=O)cc(NC(=O)c2cc([O-])ccc2Cl)c1C ZINC000574346519 505752000 /nfs/dbraw/zinc/75/20/00/505752000.db2.gz NSEMGEQVUPKRJM-UHFFFAOYSA-N -1 3 353.827 3.318 20 0 FGADHM COc1cccc(CS(=O)(=O)[N-][C@@H](COCC(C)C)c2ccco2)c1 ZINC000117915379 494962655 /nfs/dbraw/zinc/96/26/55/494962655.db2.gz RREXKAQBCUKMAL-KRWDZBQOSA-N -1 3 367.467 3.122 20 0 FGADHM Cc1cc(=NC(=O)N=c2[nH][n-]c(-c3ccccc3)c2C)[nH]n1[C@H](C)C1CC1 ZINC000580405563 505752292 /nfs/dbraw/zinc/75/22/92/505752292.db2.gz MZOBEOWFTRFGDT-CQSZACIVSA-N -1 3 364.453 3.349 20 0 FGADHM CCc1ccc([C@H](CO)[N-]S(=O)(=O)c2c(F)cccc2Cl)cc1 ZINC000133166763 494979282 /nfs/dbraw/zinc/97/92/82/494979282.db2.gz NVZRRTQGJNJVSW-HNNXBMFYSA-N -1 3 357.834 3.053 20 0 FGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1cc(F)cc(Br)c1 ZINC000122471605 494981020 /nfs/dbraw/zinc/98/10/20/494981020.db2.gz FRKFTXAWBFZFIT-UHFFFAOYSA-N -1 3 362.162 3.021 20 0 FGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1cc(F)cc(Br)c1 ZINC000122471605 494981023 /nfs/dbraw/zinc/98/10/23/494981023.db2.gz FRKFTXAWBFZFIT-UHFFFAOYSA-N -1 3 362.162 3.021 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)c1nn(-c2ccccc2)c2c1CCC2 ZINC000133212603 494985434 /nfs/dbraw/zinc/98/54/34/494985434.db2.gz ULGRHQDBMJHNRM-UHFFFAOYSA-N -1 3 351.381 3.136 20 0 FGADHM COc1cccc(C(=O)N(CCO)Cc2ccc(Cl)c(Cl)c2)c1[O-] ZINC000133416968 495012105 /nfs/dbraw/zinc/01/21/05/495012105.db2.gz KORYNHZZMCQRCX-UHFFFAOYSA-N -1 3 370.232 3.342 20 0 FGADHM C[C@H](CS(=O)(=O)[N-]c1ccccc1N1CCCC1=O)c1ccccc1 ZINC000133438988 495014043 /nfs/dbraw/zinc/01/40/43/495014043.db2.gz UHTYVCOWKOOKCM-OAHLLOKOSA-N -1 3 358.463 3.359 20 0 FGADHM CCCN(C(=O)c1cc(NC(C)=O)ccc1[O-])[C@H]1C[C@H](OCC)C1(C)C ZINC000122732794 495022365 /nfs/dbraw/zinc/02/23/65/495022365.db2.gz FVBFAIZGIQZQLD-ROUUACIJSA-N -1 3 362.470 3.406 20 0 FGADHM CCCN(C(=O)c1cc(NC(C)=O)ccc1[O-])[C@@H]1C[C@H](OCC)C1(C)C ZINC000122732535 495022587 /nfs/dbraw/zinc/02/25/87/495022587.db2.gz FVBFAIZGIQZQLD-MSOLQXFVSA-N -1 3 362.470 3.406 20 0 FGADHM CCO[C@@H]1C[C@@H](N(C)C(=O)c2cc(NC(C)=O)ccc2[O-])C12CCCC2 ZINC000122740488 495023191 /nfs/dbraw/zinc/02/31/91/495023191.db2.gz FNHPWSSBBHVMBL-QZTJIDSGSA-N -1 3 360.454 3.160 20 0 FGADHM CCCOc1ccc(C(=O)C[N-]S(=O)(=O)Cc2ccccc2C)cc1 ZINC000133533774 495024692 /nfs/dbraw/zinc/02/46/92/495024692.db2.gz BBUZCSZGIYSZEF-UHFFFAOYSA-N -1 3 361.463 3.086 20 0 FGADHM Cc1[nH]c(=O)c(C(=O)N2CCCc3cccc([O-])c32)cc1Br ZINC000133797790 495064091 /nfs/dbraw/zinc/06/40/91/495064091.db2.gz JZOFTSHLZSLIBH-UHFFFAOYSA-N -1 3 363.211 3.157 20 0 FGADHM O=S(=O)([N-]C[C@H](c1ccco1)N1CCCC1)c1cc2ccccc2o1 ZINC000133890476 495075842 /nfs/dbraw/zinc/07/58/42/495075842.db2.gz JKAZMEIUXYRGMS-OAHLLOKOSA-N -1 3 360.435 3.141 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1ccc2c(c1)CCC2)c1noc(-c2ccccc2)n1 ZINC000128325001 495079530 /nfs/dbraw/zinc/07/95/30/495079530.db2.gz TXMHZHGPDNQVSE-ZDUSSCGKSA-N -1 3 369.446 3.265 20 0 FGADHM Cc1nc(COc2ccc(NC(=O)Cc3ccc([O-])cc3Cl)cc2)no1 ZINC000134163352 495115510 /nfs/dbraw/zinc/11/55/10/495115510.db2.gz WGYAANSDSLQYLX-UHFFFAOYSA-N -1 3 373.796 3.497 20 0 FGADHM COC(=O)c1ccc(C(=O)[N-]c2nnc(-c3ccc(Cl)cc3)s2)cn1 ZINC000134257753 495127464 /nfs/dbraw/zinc/12/74/64/495127464.db2.gz GETXNBXXJMHOMZ-UHFFFAOYSA-N -1 3 374.809 3.292 20 0 FGADHM COc1ccc2c(c1)[n-]cc(C(=O)N1CCO[C@H](c3cccs3)C1)c2=O ZINC000134349939 495137936 /nfs/dbraw/zinc/13/79/36/495137936.db2.gz LQKGIQWZIHAHEW-INIZCTEOSA-N -1 3 370.430 3.224 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]CCc2ccco2)c(Cl)c1Cl ZINC000119312019 495139355 /nfs/dbraw/zinc/13/93/55/495139355.db2.gz JDTJMPVECFYIII-UHFFFAOYSA-N -1 3 350.223 3.116 20 0 FGADHM CC(C)Oc1cccc(C(=O)NCc2ccc([O-])c(Br)c2)n1 ZINC000123515935 495144548 /nfs/dbraw/zinc/14/45/48/495144548.db2.gz KCQWIKRTKYLDDW-UHFFFAOYSA-N -1 3 365.227 3.267 20 0 FGADHM Cn1ncc2c1ncc(C(=O)Nc1cccc(CCC(F)(F)F)c1)c2[O-] ZINC000119333064 495144741 /nfs/dbraw/zinc/14/47/41/495144741.db2.gz DBOGJCAHRHVQMM-UHFFFAOYSA-N -1 3 364.327 3.421 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)NCCC[C@H]3CCCC[C@H]3O)c[n-]c12 ZINC000134472416 495154715 /nfs/dbraw/zinc/15/47/15/495154715.db2.gz RQKZJYWJICRENB-CXAGYDPISA-N -1 3 360.429 3.037 20 0 FGADHM CCOc1ncc(C(=O)[N-]c2nnc(C(F)(F)F)s2)cc1Cl ZINC000112233613 495158144 /nfs/dbraw/zinc/15/81/44/495158144.db2.gz KRJDLTOKMIUNCL-UHFFFAOYSA-N -1 3 352.725 3.256 20 0 FGADHM O=C1CCCN1c1ccc(S(=O)(=O)[N-]c2cc(F)ccc2Cl)cc1 ZINC000102748785 495158845 /nfs/dbraw/zinc/15/88/45/495158845.db2.gz JXRXWNSBVFNUTB-UHFFFAOYSA-N -1 3 368.817 3.407 20 0 FGADHM O=C1[C@H](Sc2n[n-]c(-c3ccccn3)n2)CCN1c1ccc(Cl)cc1 ZINC000128866286 495161274 /nfs/dbraw/zinc/16/12/74/495161274.db2.gz FJHQJNKTILYAHD-CQSZACIVSA-N -1 3 371.853 3.418 20 0 FGADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1ccccc1NCc1ccco1 ZINC000134540437 495165502 /nfs/dbraw/zinc/16/55/02/495165502.db2.gz KQBBQEPYMRURFS-UHFFFAOYSA-N -1 3 351.288 3.281 20 0 FGADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1ccccc1NCc1ccco1 ZINC000134540437 495165504 /nfs/dbraw/zinc/16/55/04/495165504.db2.gz KQBBQEPYMRURFS-UHFFFAOYSA-N -1 3 351.288 3.281 20 0 FGADHM Cc1ccc([O-])c(C(=O)N(Cc2ccccc2)[C@H](C)CN2CCOCC2)c1 ZINC000102860316 495167996 /nfs/dbraw/zinc/16/79/96/495167996.db2.gz AMGMHKWOQFGPHX-GOSISDBHSA-N -1 3 368.477 3.064 20 0 FGADHM COc1c(C(=O)[N-]c2nnc(-c3cccc(Cl)c3)s2)c(C)nn1C ZINC000112285614 495168333 /nfs/dbraw/zinc/16/83/33/495168333.db2.gz MCXDBNVWXDEPTM-UHFFFAOYSA-N -1 3 363.830 3.161 20 0 FGADHM O=C(Nc1ccc([O-])cc1F)C1CCN(C(=O)Nc2ccccc2)CC1 ZINC000119501912 495178934 /nfs/dbraw/zinc/17/89/34/495178934.db2.gz OAXHXBJDSKDTRW-UHFFFAOYSA-N -1 3 357.385 3.414 20 0 FGADHM CCc1nc(CC[N-]S(=O)(=O)c2cc(OC)ccc2Cl)sc1C ZINC000112362064 495180683 /nfs/dbraw/zinc/18/06/83/495180683.db2.gz SVDZCMCFTHIWHU-UHFFFAOYSA-N -1 3 374.915 3.197 20 0 FGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)c1cc(Cl)c(F)cc1Cl ZINC000580470895 505766264 /nfs/dbraw/zinc/76/62/64/505766264.db2.gz ZGMDTLZNYWHHEO-UHFFFAOYSA-N -1 3 366.183 3.243 20 0 FGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)c1cc(Cl)c(F)cc1Cl ZINC000580470895 505766267 /nfs/dbraw/zinc/76/62/67/505766267.db2.gz ZGMDTLZNYWHHEO-UHFFFAOYSA-N -1 3 366.183 3.243 20 0 FGADHM Cc1cc(S(=O)(=O)[N-][C@H](C)[C@H](O)Cc2ccccc2)c(Cl)cc1F ZINC000129118194 495198711 /nfs/dbraw/zinc/19/87/11/495198711.db2.gz XPCBACUSYGRDOD-MLGOLLRUSA-N -1 3 371.861 3.058 20 0 FGADHM CC(C)Cc1ccc(C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000123940082 495209568 /nfs/dbraw/zinc/20/95/68/495209568.db2.gz PFUMJVGHVYOYII-UHFFFAOYSA-N -1 3 366.461 3.189 20 0 FGADHM O=S(=O)([N-][C@@H]1CCC[C@H]2OCC[C@@H]21)c1cc(Cl)ccc1Cl ZINC000129240562 495215983 /nfs/dbraw/zinc/21/59/83/495215983.db2.gz MCTMBJSCWWKKLJ-RAIGVLPGSA-N -1 3 350.267 3.229 20 0 FGADHM Cc1c(C(=O)[N-]c2nnc(C(F)F)s2)nnn1-c1ccccc1Cl ZINC000103386194 495227098 /nfs/dbraw/zinc/22/70/98/495227098.db2.gz BCCIGPVTILIWCJ-UHFFFAOYSA-N -1 3 370.772 3.271 20 0 FGADHM Cc1ccc(-c2nc([N-]C(=O)c3nc4nccc(C)n4n3)sc2C)s1 ZINC000103412710 495229541 /nfs/dbraw/zinc/22/95/41/495229541.db2.gz KSSRAUVMLUBLTO-UHFFFAOYSA-N -1 3 370.463 3.487 20 0 FGADHM COc1ccc2c(c1)[n-]cc(C(=O)N(C)Cc1cccc(N(C)C)c1)c2=O ZINC000134954027 495230342 /nfs/dbraw/zinc/23/03/42/495230342.db2.gz CYEBYTWEVJOZBR-UHFFFAOYSA-N -1 3 365.433 3.287 20 0 FGADHM COc1ccccc1-c1nc(NC(=O)Cc2ccc(F)cc2Cl)n[n-]1 ZINC000134958733 495231252 /nfs/dbraw/zinc/23/12/52/495231252.db2.gz OUFRRZYUTHEJBJ-UHFFFAOYSA-N -1 3 360.776 3.454 20 0 FGADHM O=C(c1c[n-]c2ccccc2c1=O)N1CCO[C@@H](c2ccccc2Cl)C1 ZINC000103445356 495232987 /nfs/dbraw/zinc/23/29/87/495232987.db2.gz OLHLCQHFUXJRGG-GOSISDBHSA-N -1 3 368.820 3.395 20 0 FGADHM Cc1cc(=O)[n-]c([C@H](C)Sc2nc3cc(Br)cnc3[nH]2)n1 ZINC000134973280 495233254 /nfs/dbraw/zinc/23/32/54/495233254.db2.gz JVJORYVIXDRZBY-ZETCQYMHSA-N -1 3 366.244 3.378 20 0 FGADHM Cc1ccc(-c2nc(NC(=O)Cc3c(C)nc(C)[n-]c3=O)sc2C)s1 ZINC000103447434 495233412 /nfs/dbraw/zinc/23/34/12/495233412.db2.gz 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C[C@H](CC(=O)Nc1nc(SCCO)n[n-]1)c1ccccc1C(F)(F)F ZINC000120729387 495444872 /nfs/dbraw/zinc/44/48/72/495444872.db2.gz SMTMMARHGPIWFA-SECBINFHSA-N -1 3 374.388 3.040 20 0 FGADHM C[C@H](CC(=O)Nc1n[n-]c(SCCO)n1)c1ccccc1C(F)(F)F ZINC000120729387 495444877 /nfs/dbraw/zinc/44/48/77/495444877.db2.gz SMTMMARHGPIWFA-SECBINFHSA-N -1 3 374.388 3.040 20 0 FGADHM COc1cccc(C(=O)NCCCC(=O)Nc2ccc(Cl)cc2)c1[O-] ZINC000130887824 495461622 /nfs/dbraw/zinc/46/16/22/495461622.db2.gz UOFXVAGASCUUHH-UHFFFAOYSA-N -1 3 362.813 3.203 20 0 FGADHM CC[C@H](C(=O)Nc1[n-]cnc1C(=O)OC)c1cccc(C(F)(F)F)c1 ZINC000577743637 505784305 /nfs/dbraw/zinc/78/43/05/505784305.db2.gz VWRYYSQFUCFBGM-NSHDSACASA-N -1 3 355.316 3.347 20 0 FGADHM CC[C@H](C(=O)Nc1nc[n-]c1C(=O)OC)c1cccc(C(F)(F)F)c1 ZINC000577743637 505784309 /nfs/dbraw/zinc/78/43/09/505784309.db2.gz VWRYYSQFUCFBGM-NSHDSACASA-N -1 3 355.316 3.347 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H](C)n3nc(C)cc3C)c2)n1 ZINC000138912645 495470180 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CCCC[C@H](CCC)CNC(=O)Nc1ccc(C[C@@H]2NC(=O)[N-]C2=O)cc1 ZINC000120998119 495499836 /nfs/dbraw/zinc/49/98/36/495499836.db2.gz DIXYUIGHAHIYNZ-RDJZCZTQSA-N -1 3 374.485 3.165 20 0 FGADHM O=C(CCc1cc(Br)cs1)Nc1nnc(C(F)(F)F)[n-]1 ZINC000107228227 495523972 /nfs/dbraw/zinc/52/39/72/495523972.db2.gz FETIWPGXNZMCFM-UHFFFAOYSA-N -1 3 369.166 3.219 20 0 FGADHM O=C(CCc1cc(Br)cs1)Nc1nc(C(F)(F)F)n[n-]1 ZINC000107228227 495523973 /nfs/dbraw/zinc/52/39/73/495523973.db2.gz FETIWPGXNZMCFM-UHFFFAOYSA-N -1 3 369.166 3.219 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-][C@H](C)Cc1nc2ccccc2s1 ZINC000154197216 495542325 /nfs/dbraw/zinc/54/23/25/495542325.db2.gz XKQAWOODYSSSCG-SNVBAGLBSA-N -1 3 368.505 3.276 20 0 FGADHM CCN1CCN(c2ccc(C(=O)Nc3cccc(Cl)c3[O-])cc2)CC1 ZINC000173473919 495547237 /nfs/dbraw/zinc/54/72/37/495547237.db2.gz GMOORVIIYVKVHI-UHFFFAOYSA-N -1 3 359.857 3.440 20 0 FGADHM Cc1ccc([C@@H]2CCCCCN2C(=O)CCc2c(C)nc(C)[n-]c2=O)o1 ZINC000154217097 495548034 /nfs/dbraw/zinc/54/80/34/495548034.db2.gz 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495572264 /nfs/dbraw/zinc/57/22/64/495572264.db2.gz WMSBEMKSCULZPA-UHFFFAOYSA-N -1 3 362.393 3.240 20 0 FGADHM Cc1ccc(-c2nc(NC(=O)c3cc(N(C)C)nc4ccccc43)n[n-]2)o1 ZINC000185423611 495572270 /nfs/dbraw/zinc/57/22/70/495572270.db2.gz WMSBEMKSCULZPA-UHFFFAOYSA-N -1 3 362.393 3.240 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)N(CCCO)Cc1cccc(Cl)c1 ZINC000154309798 495576626 /nfs/dbraw/zinc/57/66/26/495576626.db2.gz FHDAVLLPTAEZAS-UHFFFAOYSA-N -1 3 366.820 3.279 20 0 FGADHM C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000170725378 495581456 /nfs/dbraw/zinc/58/14/56/495581456.db2.gz ITQNRTFMBIEXMC-SECBINFHSA-N -1 3 366.299 3.490 20 0 FGADHM C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000170725378 495581461 /nfs/dbraw/zinc/58/14/61/495581461.db2.gz ITQNRTFMBIEXMC-SECBINFHSA-N -1 3 366.299 3.490 20 0 FGADHM C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000170725378 495581465 /nfs/dbraw/zinc/58/14/65/495581465.db2.gz ITQNRTFMBIEXMC-SECBINFHSA-N -1 3 366.299 3.490 20 0 FGADHM CC(C)c1cccc(-n2cc([O-])c(C(=O)N3C[C@H]4CCCN4C[C@@H]3C)n2)c1 ZINC000176295257 495585086 /nfs/dbraw/zinc/58/50/86/495585086.db2.gz YTCKNGWVTORIQY-MAUKXSAKSA-N -1 3 368.481 3.010 20 0 FGADHM COc1ccc(C[C@@H](C)C(=O)Nc2cccc(C(C)=O)c2[O-])cc1OC ZINC000571686028 505790566 /nfs/dbraw/zinc/79/05/66/505790566.db2.gz WRCFLDWZTUAAHN-GFCCVEGCSA-N -1 3 357.406 3.429 20 0 FGADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc3[nH]c(CC)cc(=O)c3c2)cc1 ZINC000182497544 495586308 /nfs/dbraw/zinc/58/63/08/495586308.db2.gz FFVRNQRJSCYKCC-UHFFFAOYSA-N -1 3 372.446 3.290 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)Cc3cc(F)ccc3F)c2)n1 ZINC000173564961 495590407 /nfs/dbraw/zinc/59/04/07/495590407.db2.gz FPVFPHISPDASMA-UHFFFAOYSA-N -1 3 369.371 3.459 20 0 FGADHM CCOC(=O)c1c(C)c2ccccc2nc1CN(CC(=O)[O-])[C@H](C)CC ZINC000571689179 505791625 /nfs/dbraw/zinc/79/16/25/505791625.db2.gz RVWFJJPKKFWEGL-CYBMUJFWSA-N -1 3 358.438 3.405 20 0 FGADHM O=C(NCc1ccc(Cn2cnc3ccccc32)cc1)c1ccc(O)cc1[O-] ZINC000179462935 495601464 /nfs/dbraw/zinc/60/14/64/495601464.db2.gz YNIOTRPHCLUHIC-UHFFFAOYSA-N -1 3 373.412 3.426 20 0 FGADHM O=C(Nc1ccc(CNCc2cc([O-])cc(F)c2)cc1)c1cccnc1 ZINC000185502354 495601601 /nfs/dbraw/zinc/60/16/01/495601601.db2.gz ONKYJPNZRCCYOB-UHFFFAOYSA-N -1 3 351.381 3.468 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N(CCC(F)(F)F)CC2CC2)c([O-])c1 ZINC000176325771 495601641 /nfs/dbraw/zinc/60/16/41/495601641.db2.gz VTOKTSKMJGQNCX-UHFFFAOYSA-N -1 3 372.387 3.012 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]c2c(F)cccc2CO)c(Br)c1 ZINC000158901545 495611785 /nfs/dbraw/zinc/61/17/85/495611785.db2.gz WAYKSXYKWLKRAR-UHFFFAOYSA-N -1 3 374.231 3.190 20 0 FGADHM O=C(CCCc1ccc2ccccc2c1)Nc1nnc(SCCO)[n-]1 ZINC000182572484 495620876 /nfs/dbraw/zinc/62/08/76/495620876.db2.gz VVKXRYVUTZJUFR-UHFFFAOYSA-N -1 3 356.451 3.004 20 0 FGADHM O=C(CCCc1ccc2ccccc2c1)Nc1nc(SCCO)n[n-]1 ZINC000182572484 495620883 /nfs/dbraw/zinc/62/08/83/495620883.db2.gz VVKXRYVUTZJUFR-UHFFFAOYSA-N -1 3 356.451 3.004 20 0 FGADHM O=C(CCCc1ccc2ccccc2c1)Nc1n[n-]c(SCCO)n1 ZINC000182572484 495620887 /nfs/dbraw/zinc/62/08/87/495620887.db2.gz VVKXRYVUTZJUFR-UHFFFAOYSA-N -1 3 356.451 3.004 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(NCCC[C@H]3CCCC[C@@H]3O)nc2)n1 ZINC000154480546 495628914 /nfs/dbraw/zinc/62/89/14/495628914.db2.gz HMJWFMKHKIBLNX-PBHICJAKSA-N -1 3 356.470 3.138 20 0 FGADHM CCN(C(=O)C(=O)[N-]c1scc(C2CC2)c1C(=O)OC)[C@@H](C)C(C)C ZINC000176389244 495632120 /nfs/dbraw/zinc/63/21/20/495632120.db2.gz YVHPSXKHFIFMER-NSHDSACASA-N -1 3 366.483 3.244 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2C[C@H]3CCCC[C@@H]3C2)c1 ZINC000179538229 495633230 /nfs/dbraw/zinc/63/32/30/495633230.db2.gz QVCNYKHEJRYSGH-ZIAGYGMSSA-N -1 3 369.421 3.203 20 0 FGADHM O=S(=O)(Cc1c(F)cccc1F)[N-][C@H]1CCOc2ccc(F)cc21 ZINC000179552554 495638283 /nfs/dbraw/zinc/63/82/83/495638283.db2.gz MGDRGAIRPAYBJI-HNNXBMFYSA-N -1 3 357.353 3.047 20 0 FGADHM CCN1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1c([O-])cccc1F ZINC000185614816 495645119 /nfs/dbraw/zinc/64/51/19/495645119.db2.gz OYAFYSCLBMJLOS-INIZCTEOSA-N -1 3 372.440 3.364 20 0 FGADHM COc1ccccc1OCC(=O)Nc1cc(Br)ccc1[O-] ZINC000176440360 495651784 /nfs/dbraw/zinc/65/17/84/495651784.db2.gz CWZIEWXAYNWYNZ-UHFFFAOYSA-N -1 3 352.184 3.181 20 0 FGADHM CCc1nnc([N-]C(=O)c2sc(C)c(Br)c2OC)s1 ZINC000173731404 495668635 /nfs/dbraw/zinc/66/86/35/495668635.db2.gz LYADEBRYSHVHES-UHFFFAOYSA-N -1 3 362.274 3.494 20 0 FGADHM CCCC[C@@H](CC)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1[O-] ZINC000179658482 495680221 /nfs/dbraw/zinc/68/02/21/495680221.db2.gz UTDQTHRJUGTTKR-CYBMUJFWSA-N -1 3 354.472 3.087 20 0 FGADHM CC(C)=CCC[C@@H](C)CC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000568867907 505797118 /nfs/dbraw/zinc/79/71/18/505797118.db2.gz NMRBFEPQHVZYTJ-QGZVFWFLSA-N -1 3 358.482 3.449 20 0 FGADHM Cc1cc(C)c2[n-]cc(C(=O)N3CC[C@@H](C(=O)OC(C)(C)C)C3)c(=O)c2c1 ZINC000185697422 495685211 /nfs/dbraw/zinc/68/52/11/495685211.db2.gz IQHGGBYDPMAELR-CQSZACIVSA-N -1 3 370.449 3.361 20 0 FGADHM CC[C@H](c1ccc(F)cc1)S(=O)(=O)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000574543937 505797689 /nfs/dbraw/zinc/79/76/89/505797689.db2.gz ZEXGZIICSWVEHQ-OAHLLOKOSA-N -1 3 350.415 3.265 20 0 FGADHM CCc1c(C(=O)[N-]c2nocc2C)nnn1-c1ccc(OC(C)C)cc1 ZINC000154695977 495697963 /nfs/dbraw/zinc/69/79/63/495697963.db2.gz NVRKDVTUTJJOJD-UHFFFAOYSA-N -1 3 355.398 3.166 20 0 FGADHM CCC(CC)n1nc(C)cc1C(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000179709410 495699583 /nfs/dbraw/zinc/69/95/83/495699583.db2.gz IMHHTLQDULLJDM-UHFFFAOYSA-N -1 3 364.471 3.176 20 0 FGADHM O=S(=O)([N-][C@@H](c1ccccc1)[C@@H]1CCCO1)c1ccc(F)cc1F ZINC000171041954 495700188 /nfs/dbraw/zinc/70/01/88/495700188.db2.gz YXEFLGVYENFFPF-RDJZCZTQSA-N -1 3 353.390 3.163 20 0 FGADHM COc1ccc(F)cc1CC(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000185749537 495710212 /nfs/dbraw/zinc/71/02/12/495710212.db2.gz OUIGMNJCIHDSEV-UHFFFAOYSA-N -1 3 367.380 3.074 20 0 FGADHM NC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cccc3ccccc32)c1 ZINC000176637500 495729667 /nfs/dbraw/zinc/72/96/67/495729667.db2.gz XVDJZPYKQRYSPT-UHFFFAOYSA-N -1 3 360.822 3.393 20 0 FGADHM CSC[C@H]1CCCN1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000154792224 495730087 /nfs/dbraw/zinc/73/00/87/495730087.db2.gz DUFRXEVMKPUXII-LLVKDONJSA-N -1 3 359.289 3.192 20 0 FGADHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(F)c(C(=O)N(C)C)c2)c(C)c1 ZINC000176691204 495749035 /nfs/dbraw/zinc/74/90/35/495749035.db2.gz LBTVHZZUUHJCGV-UHFFFAOYSA-N -1 3 364.442 3.254 20 0 FGADHM CCOc1ccc2c(c1)[C@@H](NC(=O)NCc1ccc([O-])c(F)c1)CCO2 ZINC000185880923 495763301 /nfs/dbraw/zinc/76/33/01/495763301.db2.gz SVHKTKLFSSKOBN-INIZCTEOSA-N -1 3 360.385 3.253 20 0 FGADHM C[C@@]1(c2cccc(C(=O)Nc3cccc4ccccc43)c2)NC(=O)[N-]C1=O ZINC000151177241 495763668 /nfs/dbraw/zinc/76/36/68/495763668.db2.gz SOICSFXRTDNLKK-NRFANRHFSA-N -1 3 359.385 3.147 20 0 FGADHM Cc1ccc(C(=O)N2CCC(NC(=O)c3cccc(C)c3[O-])CC2)cc1 ZINC000171203522 495768339 /nfs/dbraw/zinc/76/83/39/495768339.db2.gz DOVNCMWFURADOZ-UHFFFAOYSA-N -1 3 352.434 3.044 20 0 FGADHM CCCc1ncc(C(=O)Nc2cc(C)ccc2[N-]S(C)(=O)=O)s1 ZINC000173972011 495769995 /nfs/dbraw/zinc/76/99/95/495769995.db2.gz GPEVLULLUHCDSI-UHFFFAOYSA-N -1 3 353.469 3.028 20 0 FGADHM COc1ccc([O-])c(C(=O)N2CCO[C@H](c3ccc(F)c(Cl)c3)C2)c1 ZINC000171207415 495770427 /nfs/dbraw/zinc/77/04/27/495770427.db2.gz MFKPTWKROBMWAL-KRWDZBQOSA-N -1 3 365.788 3.407 20 0 FGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)Cc2c(F)cccc2Cl)c1 ZINC000173975557 495772017 /nfs/dbraw/zinc/77/20/17/495772017.db2.gz VIRQNSTZPOQELV-UHFFFAOYSA-N -1 3 370.833 3.340 20 0 FGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)c2cc(C)nc3ccccc32)c1 ZINC000173977163 495772091 /nfs/dbraw/zinc/77/20/91/495772091.db2.gz MHQOTSDUNDVQRW-UHFFFAOYSA-N -1 3 369.446 3.475 20 0 FGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)c2cnc(C(C)(C)C)s2)c1 ZINC000173978522 495772848 /nfs/dbraw/zinc/77/28/48/495772848.db2.gz DWWKVYQZVLFTCW-UHFFFAOYSA-N -1 3 367.496 3.373 20 0 FGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H](OC)c2ccccc2)c1 ZINC000173978185 495773118 /nfs/dbraw/zinc/77/31/18/495773118.db2.gz VSKPXJUYMHELAW-OAHLLOKOSA-N -1 3 355.843 3.015 20 0 FGADHM COc1cccc([C@@H]2[C@H](NC(=O)c3cccc([O-])c3)CCN2C2CC2)c1 ZINC000183003905 495793863 /nfs/dbraw/zinc/79/38/63/495793863.db2.gz GVVDNAZKOQRLNB-WOJBJXKFSA-N -1 3 352.434 3.109 20 0 FGADHM C[C@H]1CN(CC2CCN(C(=O)c3ccc([O-])c(Cl)c3)CC2)C[C@H](C)O1 ZINC000171275803 495801112 /nfs/dbraw/zinc/80/11/12/495801112.db2.gz YUGHEQPJRBMRLC-KBPBESRZSA-N -1 3 366.889 3.007 20 0 FGADHM CC(C)[C@@H](C)C[N-]S(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1 ZINC000179959478 495801741 /nfs/dbraw/zinc/80/17/41/495801741.db2.gz ARUREBOVKDHOSW-ZDUSSCGKSA-N -1 3 374.572 3.023 20 0 FGADHM O=C(c1ccc2c(c1[O-])CCCC2)N(C[C@H]1CCCO1)[C@@H]1CCSC1 ZINC000185973835 495804751 /nfs/dbraw/zinc/80/47/51/495804751.db2.gz XWQJXIDZXNGOOL-HZPDHXFCSA-N -1 3 361.507 3.398 20 0 FGADHM O=C(c1ccc2c(c1[O-])CCCC2)N(C[C@@H]1CCCO1)[C@H]1CCSC1 ZINC000185973854 495804842 /nfs/dbraw/zinc/80/48/42/495804842.db2.gz XWQJXIDZXNGOOL-HOTGVXAUSA-N -1 3 361.507 3.398 20 0 FGADHM CN(C)CC(=O)Nc1ccc(NC(=O)c2cc3ccccc3cc2[O-])cc1 ZINC000174103224 495821502 /nfs/dbraw/zinc/82/15/02/495821502.db2.gz LYTRJVJNPQTAMJ-UHFFFAOYSA-N -1 3 363.417 3.298 20 0 FGADHM Cc1sc(NC[C@H]2CCCN(C)[C@H]2c2cccs2)nc1C(=O)[O-] ZINC000580650486 505805929 /nfs/dbraw/zinc/80/59/29/505805929.db2.gz SFFLNZGVGSTWKM-BXUZGUMPSA-N -1 3 351.497 3.128 20 0 FGADHM COc1cc(C)c(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])cc1F ZINC000186039413 495831969 /nfs/dbraw/zinc/83/19/69/495831969.db2.gz KWYSBPXORXUHCQ-MRXNPFEDSA-N -1 3 372.396 3.092 20 0 FGADHM C[C@H]1C[C@@H](NC(=O)c2cc(F)c([O-])c(F)c2)CCN1Cc1ccccc1 ZINC000180132249 495871841 /nfs/dbraw/zinc/87/18/41/495871841.db2.gz JTYCLICQMKOONU-BBRMVZONSA-N -1 3 360.404 3.453 20 0 FGADHM CCCC[C@H](NC(=O)c1c[n-]c2ccccc2c1=O)C(=O)OC(C)(C)C ZINC000155197944 495872040 /nfs/dbraw/zinc/87/20/40/495872040.db2.gz QSGLKXGBTKGMBQ-INIZCTEOSA-N -1 3 358.438 3.158 20 0 FGADHM O=S(=O)([N-]Cc1cccnc1)c1cc(Cl)ccc1OCCC1CC1 ZINC000186176168 495884488 /nfs/dbraw/zinc/88/44/88/495884488.db2.gz ZXASWTPVTGVODF-UHFFFAOYSA-N -1 3 366.870 3.392 20 0 FGADHM CC(C)CC[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000186178185 495885591 /nfs/dbraw/zinc/88/55/91/495885591.db2.gz WOJBGNPWZDDKFU-ZDUSSCGKSA-N -1 3 361.891 3.080 20 0 FGADHM Cc1ccc(CN2CCCC2)cc1[N-]S(=O)(=O)c1ccc2c(c1)OCO2 ZINC000180163537 495887452 /nfs/dbraw/zinc/88/74/52/495887452.db2.gz LDARMOUBHDCUDW-UHFFFAOYSA-N -1 3 374.462 3.120 20 0 FGADHM C[C@@H](CS(=O)(=O)[N-][C@H](C)c1nc(C(C)(C)C)no1)c1ccccc1 ZINC000151601224 495890278 /nfs/dbraw/zinc/89/02/78/495890278.db2.gz WUNQSFSGWJETPV-QWHCGFSZSA-N -1 3 351.472 3.151 20 0 FGADHM CSc1nc(C2CC2)nc(C)c1C(=O)[N-]c1nnc(C(F)F)s1 ZINC000174275508 495891451 /nfs/dbraw/zinc/89/14/51/495891451.db2.gz TZWAVWWFJLNSRR-UHFFFAOYSA-N -1 3 357.411 3.426 20 0 FGADHM O=C([N-]c1nnc(-c2ccsc2)s1)c1cnc(C(F)(F)F)nc1 ZINC000155255453 495893352 /nfs/dbraw/zinc/89/33/52/495893352.db2.gz OERUPXDVWJKZDQ-UHFFFAOYSA-N -1 3 357.342 3.328 20 0 FGADHM C[C@@H](CC(=O)NCCNC(=O)c1ccc([O-])cc1)Cc1ccc(Cl)cc1 ZINC000180192796 495899971 /nfs/dbraw/zinc/89/99/71/495899971.db2.gz QKITUDUARGJCIY-CQSZACIVSA-N -1 3 374.868 3.161 20 0 FGADHM O=C(Cc1c[nH]c2ccccc12)NCc1ccc([O-])c(Br)c1 ZINC000151634280 495901228 /nfs/dbraw/zinc/90/12/28/495901228.db2.gz MPXCVYKECXIHFU-UHFFFAOYSA-N -1 3 359.223 3.495 20 0 FGADHM COc1cccc(OC)c1S(=O)(=O)[N-][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000186231722 495907105 /nfs/dbraw/zinc/90/71/05/495907105.db2.gz YIAYCPKQVGMVLN-QWRGUYRKSA-N -1 3 367.389 3.103 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N3CCO[C@@H](c4ccccc4)C3)c[n-]c12 ZINC000155297155 495908847 /nfs/dbraw/zinc/90/88/47/495908847.db2.gz YDWRSXFNUJTJJL-GOSISDBHSA-N -1 3 366.392 3.189 20 0 FGADHM Cc1ccccc1[C@H]1CN(C(=O)c2c[n-]c3ccccc3c2=O)[C@@H](C)CO1 ZINC000174346350 495921092 /nfs/dbraw/zinc/92/10/92/495921092.db2.gz YUODRZREWNHLEO-MGPUTAFESA-N -1 3 362.429 3.439 20 0 FGADHM CC(C)CNC(=O)N1CCC[C@@H](C(=O)N2CC[C@H](C)c3cccc([O-])c32)C1 ZINC000186271455 495922401 /nfs/dbraw/zinc/92/24/01/495922401.db2.gz UQLJJSVOYTZGBG-JKSUJKDBSA-N -1 3 373.497 3.310 20 0 FGADHM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000571772904 505812085 /nfs/dbraw/zinc/81/20/85/505812085.db2.gz XIYIVXCKQNJULV-RJZRQDKASA-N -1 3 373.902 3.221 20 0 FGADHM Cc1cc(CNC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])ccc1Cl ZINC000186303302 495937514 /nfs/dbraw/zinc/93/75/14/495937514.db2.gz NTEPFTXGUGTXTO-QGZVFWFLSA-N -1 3 372.852 3.275 20 0 FGADHM O=c1nc(CN2CC[C@@H]3OCCC[C@@H]3C2)[n-]c2scc(-c3ccco3)c21 ZINC000155377936 495939576 /nfs/dbraw/zinc/93/95/76/495939576.db2.gz ROOVNIVHNYJFSG-OCCSQVGLSA-N -1 3 371.462 3.246 20 0 FGADHM C[C@@H]1CCN(C(=O)c2ccnc(O[C@H]3CCOC3)c2)c2c([O-])cccc21 ZINC000186322936 495946467 /nfs/dbraw/zinc/94/64/67/495946467.db2.gz ZARJUEJYXKFAPY-HIFRSBDPSA-N -1 3 354.406 3.109 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCCC(C)(C)C2)c1 ZINC000186334305 495953114 /nfs/dbraw/zinc/95/31/14/495953114.db2.gz VSABWOOKVYFQRZ-UHFFFAOYSA-N -1 3 357.410 3.203 20 0 FGADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2ncc(-c3ccccc3)o2)CC1 ZINC000177177117 495961684 /nfs/dbraw/zinc/96/16/84/495961684.db2.gz VGAILOVVLDGZJS-UHFFFAOYSA-N -1 3 363.417 3.005 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCCC[C@@H](C)C2)c1 ZINC000186467859 496008792 /nfs/dbraw/zinc/00/87/92/496008792.db2.gz RAJPDZJGLCWAMG-GFCCVEGCSA-N -1 3 357.410 3.203 20 0 FGADHM CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1cc(F)c([O-])c(F)c1 ZINC000183507324 496014293 /nfs/dbraw/zinc/01/42/93/496014293.db2.gz KXLBWSXXRCWGGR-UHFFFAOYSA-N -1 3 370.346 3.153 20 0 FGADHM COCCOc1cccc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)c1 ZINC000155684573 496035084 /nfs/dbraw/zinc/03/50/84/496035084.db2.gz PWSZGLYCZJUGMB-UHFFFAOYSA-N -1 3 370.380 3.253 20 0 FGADHM O=C(Cc1csc(NC(=O)c2cccc([O-])c2)n1)Nc1ccsc1 ZINC000177415077 496054245 /nfs/dbraw/zinc/05/42/45/496054245.db2.gz YRHCSGVOYOMNHF-UHFFFAOYSA-N -1 3 359.432 3.344 20 0 FGADHM COc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCOc3ccc(F)cc32)c1 ZINC000171835510 496057060 /nfs/dbraw/zinc/05/70/60/496057060.db2.gz QGYFUDPJPIIGKR-AWEZNQCLSA-N -1 3 371.817 3.290 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N[C@@H]3CCCC[C@H]3n3cccn3)c[n-]c12 ZINC000155755021 496057882 /nfs/dbraw/zinc/05/78/82/496057882.db2.gz YXTVPVCFGGQENK-IAGOWNOFSA-N -1 3 368.412 3.086 20 0 FGADHM O=S(=O)(C[C@H]1CCCCO1)[N-]c1c(F)cc(Br)cc1F ZINC000174742673 496086129 /nfs/dbraw/zinc/08/61/29/496086129.db2.gz QHNZVZDERQOVHF-SECBINFHSA-N -1 3 370.215 3.038 20 0 FGADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)N1C[C@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1 ZINC000577936925 505822541 /nfs/dbraw/zinc/82/25/41/505822541.db2.gz FFBBFPKKILHBRG-QSKNSHDSSA-N -1 3 366.465 3.060 20 0 FGADHM Cc1ccc(-c2nnc(SCC(=O)Nc3ccccc3[O-])n2C)cc1 ZINC000180669302 496096282 /nfs/dbraw/zinc/09/62/82/496096282.db2.gz HWPWVYFFYXQDAC-UHFFFAOYSA-N -1 3 354.435 3.227 20 0 FGADHM C[C@H](NC(=O)NCc1ccc([O-])c(F)c1)c1nc(Cc2ccccc2)no1 ZINC000177542243 496104821 /nfs/dbraw/zinc/10/48/21/496104821.db2.gz QRSBKDJXLFZGCZ-LBPRGKRZSA-N -1 3 370.384 3.066 20 0 FGADHM CCc1noc(CC)c1C[N-]S(=O)(=O)c1ccccc1Br ZINC000156005097 496131173 /nfs/dbraw/zinc/13/11/73/496131173.db2.gz MTEBKRZCGDWBOV-UHFFFAOYSA-N -1 3 373.272 3.040 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3nc4c(s3)C(=O)CCC4)c[n-]c12 ZINC000156005360 496131336 /nfs/dbraw/zinc/13/13/36/496131336.db2.gz KQFBQPVEIDGTQB-UHFFFAOYSA-N -1 3 371.393 3.203 20 0 FGADHM O=C(c1cccc([O-])c1)N1CCN(Cc2coc(-c3ccccc3)n2)CC1 ZINC000177642186 496142748 /nfs/dbraw/zinc/14/27/48/496142748.db2.gz RFXDRESVBXXCMT-UHFFFAOYSA-N -1 3 363.417 3.005 20 0 FGADHM Cc1cccc(CN(Cc2cccc(C)n2)C(=O)c2ccc(O)cc2[O-])n1 ZINC000177660118 496150115 /nfs/dbraw/zinc/15/01/15/496150115.db2.gz WLFCZIKKQCCQBX-UHFFFAOYSA-N -1 3 363.417 3.347 20 0 FGADHM O=C(COc1ccccc1OCC(F)(F)F)Nc1cc(F)ccc1[O-] ZINC000174905158 496157005 /nfs/dbraw/zinc/15/70/05/496157005.db2.gz MOJMFYBQSNNAHY-UHFFFAOYSA-N -1 3 359.275 3.490 20 0 FGADHM COc1cccc(C(=O)Nc2ccc(NC[C@@H]3CCCO3)c(F)c2)c1[O-] ZINC000156100993 496158320 /nfs/dbraw/zinc/15/83/20/496158320.db2.gz HOAXXMSDYSZIBQ-ZDUSSCGKSA-N -1 3 360.385 3.383 20 0 FGADHM CC[C@@H](CC1CCCC1)C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000172091602 496161071 /nfs/dbraw/zinc/16/10/71/496161071.db2.gz DGEXRBYFCXIXKF-KRWDZBQOSA-N -1 3 358.482 3.283 20 0 FGADHM Cc1ccc(C(=O)N2C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)[C@@H]3C2)c([O-])c1 ZINC000183952393 496173967 /nfs/dbraw/zinc/17/39/67/496173967.db2.gz FISPQQMGXWOHLC-IMJJTQAJSA-N -1 3 360.454 3.076 20 0 FGADHM CC(C)Cn1cnc(S(=O)(=O)[N-][C@@H](c2ccco2)c2ccccc2)c1 ZINC000174965570 496185048 /nfs/dbraw/zinc/18/50/48/496185048.db2.gz XXFAZCVZMDENCL-GOSISDBHSA-N -1 3 359.451 3.200 20 0 FGADHM Cc1cc(N(C)C)cc(C)c1[N-]S(=O)(=O)c1ccc2c(c1)C[C@H](C)O2 ZINC000156203781 496186238 /nfs/dbraw/zinc/18/62/38/496186238.db2.gz GFXKWFPINMUJLL-AWEZNQCLSA-N -1 3 360.479 3.494 20 0 FGADHM O=C(CCS(=O)(=O)c1cccc([O-])c1)Nc1cccc(C(F)(F)F)c1 ZINC000183980189 496186473 /nfs/dbraw/zinc/18/64/73/496186473.db2.gz PKUGAOCJWUYEAX-UHFFFAOYSA-N -1 3 373.352 3.214 20 0 FGADHM CCO[N-]C(=O)Nc1ccc(CC(=O)N2CCCc3ccccc32)cc1 ZINC000183987069 496188485 /nfs/dbraw/zinc/18/84/85/496188485.db2.gz UXNFGOZIXNCAHG-UHFFFAOYSA-N -1 3 353.422 3.282 20 0 FGADHM O=C(Nc1ccn(-c2cccc(C(F)(F)F)c2)n1)c1ccc2n[n-]nc2c1 ZINC000180905328 496193050 /nfs/dbraw/zinc/19/30/50/496193050.db2.gz QWZZOHLSXQBZMH-UHFFFAOYSA-N -1 3 372.310 3.415 20 0 FGADHM CCOCCC1(CNC(=O)NCc2ccc([O-])c(Br)c2)CC1 ZINC000161547098 496195997 /nfs/dbraw/zinc/19/59/97/496195997.db2.gz AQTBTQJQGRDEME-UHFFFAOYSA-N -1 3 371.275 3.161 20 0 FGADHM CCc1cc(=O)[n-]c(CN2CCO[C@H](c3ccccc3C(F)(F)F)C2)n1 ZINC000184017118 496203079 /nfs/dbraw/zinc/20/30/79/496203079.db2.gz MCTSHPNJOYZXOO-HNNXBMFYSA-N -1 3 367.371 3.337 20 0 FGADHM CCCC(CCC)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1[O-] ZINC000156274873 496204078 /nfs/dbraw/zinc/20/40/78/496204078.db2.gz ZVSMWHXMSLASEG-UHFFFAOYSA-N -1 3 354.472 3.087 20 0 FGADHM C[C@H](c1ccncc1)N1CCC(NC(=O)c2cc(F)c([O-])c(F)c2)CC1 ZINC000186911352 496207226 /nfs/dbraw/zinc/20/72/26/496207226.db2.gz FEFXNTARMWVYNK-GFCCVEGCSA-N -1 3 361.392 3.021 20 0 FGADHM CCOC(=O)c1cc(NC(=O)c2ccc(-c3ccsc3)nc2C)n[n-]1 ZINC000180936207 496207470 /nfs/dbraw/zinc/20/74/70/496207470.db2.gz LVLDUNKIRNRIDV-UHFFFAOYSA-N -1 3 356.407 3.271 20 0 FGADHM CCOC(=O)c1cc(NC(=O)c2ccc(-c3ccsc3)nc2C)[n-]n1 ZINC000180936207 496207477 /nfs/dbraw/zinc/20/74/77/496207477.db2.gz LVLDUNKIRNRIDV-UHFFFAOYSA-N -1 3 356.407 3.271 20 0 FGADHM CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)c1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000177815347 496208565 /nfs/dbraw/zinc/20/85/65/496208565.db2.gz KAKISIVQCXFVCP-XXHMAFKTSA-N -1 3 371.481 3.076 20 0 FGADHM O=C(N[C@@H]1CCN(c2ccc(Cl)cc2)C1)c1c[n-]c2ccccc2c1=O ZINC000180942472 496209919 /nfs/dbraw/zinc/20/99/19/496209919.db2.gz OYZSGNJIBFTFTA-CQSZACIVSA-N -1 3 367.836 3.190 20 0 FGADHM COc1ccc(C[S@](=O)c2cccc([O-])c2)c(Br)c1OC ZINC000184032973 496211185 /nfs/dbraw/zinc/21/11/85/496211185.db2.gz HTHPWMIUBOOGML-NRFANRHFSA-N -1 3 371.252 3.480 20 0 FGADHM COC(C)(C)C[C@H](C)[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000156388658 496231677 /nfs/dbraw/zinc/23/16/77/496231677.db2.gz KKEMQWVSHLEOKF-VIFPVBQESA-N -1 3 368.268 3.070 20 0 FGADHM CCN(CC)C(=O)c1cccc([N-]S(=O)(=O)[C@@H]2C[C@H]2c2ccccc2)c1 ZINC000580761176 505831668 /nfs/dbraw/zinc/83/16/68/505831668.db2.gz DGXLFHDBOHCWFS-RBUKOAKNSA-N -1 3 372.490 3.466 20 0 FGADHM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc3c(c2)CCN3C(N)=O)c1C ZINC000156401678 496235240 /nfs/dbraw/zinc/23/52/40/496235240.db2.gz INEVAHUOLLAEIG-UHFFFAOYSA-N -1 3 373.478 3.162 20 0 FGADHM CCOc1nc2cc(C(=O)N(C)[C@H]3C[C@H](OCC)C34CCC4)ccc2[n-]1 ZINC000571863138 505832019 /nfs/dbraw/zinc/83/20/19/505832019.db2.gz BJZRVLMQLHGCBZ-IRXDYDNUSA-N -1 3 357.454 3.381 20 0 FGADHM CCOc1nc2ccc(C(=O)N(C)[C@H]3C[C@H](OCC)C34CCC4)cc2[n-]1 ZINC000571863138 505832024 /nfs/dbraw/zinc/83/20/24/505832024.db2.gz BJZRVLMQLHGCBZ-IRXDYDNUSA-N -1 3 357.454 3.381 20 0 FGADHM CCOc1nc2cc(C(=O)N(C)[C@@H]3C[C@H](OCC)C34CCC4)ccc2[n-]1 ZINC000571863139 505832156 /nfs/dbraw/zinc/83/21/56/505832156.db2.gz BJZRVLMQLHGCBZ-SJORKVTESA-N -1 3 357.454 3.381 20 0 FGADHM CCOc1nc2ccc(C(=O)N(C)[C@@H]3C[C@H](OCC)C34CCC4)cc2[n-]1 ZINC000571863139 505832160 /nfs/dbraw/zinc/83/21/60/505832160.db2.gz BJZRVLMQLHGCBZ-SJORKVTESA-N -1 3 357.454 3.381 20 0 FGADHM COc1cc(C(=O)Nc2ccc(-n3cc(C)cn3)c(F)c2)cc(OC)c1[O-] ZINC000161916029 496261439 /nfs/dbraw/zinc/26/14/39/496261439.db2.gz FVSAKKGROKINMV-UHFFFAOYSA-N -1 3 371.368 3.295 20 0 FGADHM O=S(=O)(C[C@@H]1CCCO1)[N-]c1cccc(OCc2cccc(F)c2)c1 ZINC000172366769 496270763 /nfs/dbraw/zinc/27/07/63/496270763.db2.gz YSVCTFMDZTVGQO-SFHVURJKSA-N -1 3 365.426 3.325 20 0 FGADHM CS(=O)(=O)[N-]c1cc(NC(=O)[C@@H]2CSc3ccccc32)ccc1F ZINC000172373427 496273652 /nfs/dbraw/zinc/27/36/52/496273652.db2.gz NDUKSBAZKUOTNT-GFCCVEGCSA-N -1 3 366.439 3.025 20 0 FGADHM O=S(=O)([N-][C@H]1C[C@@H]1c1ccccc1)c1ccc(Br)cc1F ZINC000162022296 496282387 /nfs/dbraw/zinc/28/23/87/496282387.db2.gz SMAUKJMDMISHHS-OCCSQVGLSA-N -1 3 370.243 3.423 20 0 FGADHM CCc1ccc([O-])c(C(=O)N2CCN(c3nc4ccccc4o3)CC2)c1 ZINC000172411465 496286751 /nfs/dbraw/zinc/28/67/51/496286751.db2.gz TZVFKAYSPJRXNI-UHFFFAOYSA-N -1 3 351.406 3.058 20 0 FGADHM Cc1cccnc1C(C)(C)C[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000577989261 505835033 /nfs/dbraw/zinc/83/50/33/505835033.db2.gz ZOAAXILIRQWHFA-UHFFFAOYSA-N -1 3 356.850 3.439 20 0 FGADHM CS(=O)(=O)[N-]c1cc(NC(=O)[C@H]2C[C@@]23CCc2ccccc23)ccc1F ZINC000175209451 496292818 /nfs/dbraw/zinc/29/28/18/496292818.db2.gz GIOXVMKFNZSHHH-DNVCBOLYSA-N -1 3 374.437 3.040 20 0 FGADHM Cc1nnc([C@H]2Cc3ccccc3CN2Cc2cc(=O)[n-]c(C3CC3)n2)o1 ZINC000571880630 505836503 /nfs/dbraw/zinc/83/65/03/505836503.db2.gz AGNAAVWXUJSNCN-QGZVFWFLSA-N -1 3 363.421 3.051 20 0 FGADHM Cc1cccc(S(=O)(=O)[N-][C@H](C)c2ccc3c(c2)CCC(=O)N3)c1F ZINC000181222497 496317708 /nfs/dbraw/zinc/31/77/08/496317708.db2.gz KERIIDRWPHBPQV-GFCCVEGCSA-N -1 3 362.426 3.058 20 0 FGADHM COc1ccc(CCC[N-]S(=O)(=O)c2cccc(C)c2F)cc1OC ZINC000181239886 496324850 /nfs/dbraw/zinc/32/48/50/496324850.db2.gz IPXCVJSADJQZMJ-UHFFFAOYSA-N -1 3 367.442 3.062 20 0 FGADHM CCc1nc([C@@H](C)[N-]S(=O)(=O)c2cnc(-c3ccccc3)nc2)cs1 ZINC000187201553 496336599 /nfs/dbraw/zinc/33/65/99/496336599.db2.gz KYHJDGLBANARJO-GFCCVEGCSA-N -1 3 374.491 3.202 20 0 FGADHM O=C(NCc1cc(Br)cs1)NCc1ccc([O-])c(F)c1 ZINC000156847244 496347675 /nfs/dbraw/zinc/34/76/75/496347675.db2.gz MZGYFQWKHVUPNR-UHFFFAOYSA-N -1 3 359.220 3.355 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)C(C)(C)c3ccc(OC)cc3)[n-]c21 ZINC000162481950 496359772 /nfs/dbraw/zinc/35/97/72/496359772.db2.gz OMNZODDYLOJGSY-UHFFFAOYSA-N -1 3 367.405 3.274 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)C(C)(C)c3ccc(OC)cc3)nc21 ZINC000162481950 496359775 /nfs/dbraw/zinc/35/97/75/496359775.db2.gz OMNZODDYLOJGSY-UHFFFAOYSA-N -1 3 367.405 3.274 20 0 FGADHM CCS(=O)(=O)c1c(Cl)cccc1CNCc1ccc([O-])c(F)c1 ZINC000187255713 496363059 /nfs/dbraw/zinc/36/30/59/496363059.db2.gz CPPFAHXTRSAHIK-UHFFFAOYSA-N -1 3 357.834 3.268 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)[C@@H](C)c3cccc(OC)c3)[n-]c21 ZINC000162519561 496366002 /nfs/dbraw/zinc/36/60/02/496366002.db2.gz CEKMPJHRGAFJLZ-NSHDSACASA-N -1 3 353.378 3.100 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@@H](C)c3cccc(OC)c3)nc21 ZINC000162519561 496366005 /nfs/dbraw/zinc/36/60/05/496366005.db2.gz CEKMPJHRGAFJLZ-NSHDSACASA-N -1 3 353.378 3.100 20 0 FGADHM O=C(Nc1ccccc1[O-])C1CCN(Cc2nc3ccccc3[nH]2)CC1 ZINC000172661707 496378080 /nfs/dbraw/zinc/37/80/80/496378080.db2.gz OPKBCLDLBROXGX-UHFFFAOYSA-N -1 3 350.422 3.119 20 0 FGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cc3c(cc2F)NC(=O)CC3)c1 ZINC000156984224 496378432 /nfs/dbraw/zinc/37/84/32/496378432.db2.gz NRYDTQWUJQZSDC-UHFFFAOYSA-N -1 3 368.817 3.473 20 0 FGADHM CC[C@@H](CC(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccc(OC)cc1 ZINC000153193062 496379878 /nfs/dbraw/zinc/37/98/78/496379878.db2.gz JGEXUWBBDBCKRL-ZDUSSCGKSA-N -1 3 351.410 3.398 20 0 FGADHM CC[C@@H](CC(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccc(OC)cc1 ZINC000153193062 496379881 /nfs/dbraw/zinc/37/98/81/496379881.db2.gz JGEXUWBBDBCKRL-ZDUSSCGKSA-N -1 3 351.410 3.398 20 0 FGADHM C[C@@H]1c2cccn2CCN1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000178268284 496394377 /nfs/dbraw/zinc/39/43/77/496394377.db2.gz GJZZIZVGRYICDG-LLVKDONJSA-N -1 3 364.243 3.243 20 0 FGADHM O=C(Cc1c[nH]c2cccc(Br)c12)[N-]OCCC(F)(F)F ZINC000162685967 496395772 /nfs/dbraw/zinc/39/57/72/496395772.db2.gz CODGDDBKAMKOKC-UHFFFAOYSA-N -1 3 365.149 3.473 20 0 FGADHM COc1cc(C(=O)N[C@@H](c2ccccc2)C(F)(F)F)cc(OC)c1[O-] ZINC000162703393 496399424 /nfs/dbraw/zinc/39/94/24/496399424.db2.gz XAPPUWKQEWNIPD-HNNXBMFYSA-N -1 3 355.312 3.443 20 0 FGADHM COC(=O)c1ccc(F)c([N-]C(=O)c2sc([C@@H](C)OC)nc2C)c1 ZINC000175458976 496400630 /nfs/dbraw/zinc/40/06/30/496400630.db2.gz BEVCKCPJBNQXQH-SECBINFHSA-N -1 3 352.387 3.337 20 0 FGADHM C[C@@H](c1ccccc1)N1CCC([N-]S(=O)(=O)[C@@H](C)C(F)(F)F)CC1 ZINC000184499626 496413601 /nfs/dbraw/zinc/41/36/01/496413601.db2.gz QBLCBLNRYHUJID-STQMWFEESA-N -1 3 364.433 3.082 20 0 FGADHM O=S(=O)([N-][C@H]1CCO[C@@H](C2CC2)C1)c1cc(Cl)ccc1Cl ZINC000162830790 496419400 /nfs/dbraw/zinc/41/94/00/496419400.db2.gz MMRLADZXYKNEMB-WCQYABFASA-N -1 3 350.267 3.229 20 0 FGADHM CC(=O)c1csc(C(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)c1 ZINC000178346539 496421692 /nfs/dbraw/zinc/42/16/92/496421692.db2.gz GDKPYVCUNQCIHC-UHFFFAOYSA-N -1 3 372.446 3.147 20 0 FGADHM CCCCCCOCC(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000178350121 496423709 /nfs/dbraw/zinc/42/37/09/496423709.db2.gz QRSFXVMMBKZGSV-UHFFFAOYSA-N -1 3 362.470 3.166 20 0 FGADHM O=C(CCCC1CCCC1)Nc1cc(N2CCCS2(=O)=O)ccc1[O-] ZINC000175522777 496425467 /nfs/dbraw/zinc/42/54/67/496425467.db2.gz PSHGYWKXTKNGMQ-UHFFFAOYSA-N -1 3 366.483 3.231 20 0 FGADHM Cc1cnc(CNC(=O)c2ccc(C(=O)c3cccc([O-])c3)cc2)s1 ZINC000187434432 496438609 /nfs/dbraw/zinc/43/86/09/496438609.db2.gz RFAVQYYYLJYKSV-UHFFFAOYSA-N -1 3 352.415 3.318 20 0 FGADHM O=C(NC1CCCCC1)c1ccc(NC(=O)c2cccc3nn[n-]c32)cc1 ZINC000187449420 496446157 /nfs/dbraw/zinc/44/61/57/496446157.db2.gz WQPUMXZRVIPRAE-UHFFFAOYSA-N -1 3 363.421 3.273 20 0 FGADHM O=C(NC1CCCCC1)c1ccc(NC(=O)c2cccc3[n-]nnc32)cc1 ZINC000187449420 496446161 /nfs/dbraw/zinc/44/61/61/496446161.db2.gz WQPUMXZRVIPRAE-UHFFFAOYSA-N -1 3 363.421 3.273 20 0 FGADHM O=C(Nc1ccc(C(=O)NC2CCCCC2)cc1)c1cccc2n[n-]nc21 ZINC000187449420 496446165 /nfs/dbraw/zinc/44/61/65/496446165.db2.gz WQPUMXZRVIPRAE-UHFFFAOYSA-N -1 3 363.421 3.273 20 0 FGADHM Cc1cc(Cl)ccc1C(=O)Nc1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000178426762 496452436 /nfs/dbraw/zinc/45/24/36/496452436.db2.gz JJROYHSDWBDNKA-UHFFFAOYSA-N -1 3 356.806 3.411 20 0 FGADHM CS(=O)(=O)[N-]c1cc(NC(=O)[C@H]2C[C@H]2C2CCCCC2)ccc1F ZINC000172837548 496455586 /nfs/dbraw/zinc/45/55/86/496455586.db2.gz RICIYJKUVUQRFP-KBPBESRZSA-N -1 3 354.447 3.352 20 0 FGADHM COc1cccc(C(=O)N[C@H](C)c2nc(-c3cccc(F)c3)no2)c1[O-] ZINC000175601816 496459648 /nfs/dbraw/zinc/45/96/48/496459648.db2.gz XDHGNNRVHUAZJC-SNVBAGLBSA-N -1 3 357.341 3.081 20 0 FGADHM O=S(=O)([N-][C@H]1CCO[C@@H]1c1ccc(Cl)cc1)c1ccc(F)cc1F ZINC000181590708 496460140 /nfs/dbraw/zinc/46/01/40/496460140.db2.gz FMHFGASQGWIFJR-GOEBONIOSA-N -1 3 373.808 3.427 20 0 FGADHM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C(=O)OC)c1nccs1 ZINC000178549940 496496149 /nfs/dbraw/zinc/49/61/49/496496149.db2.gz VRKVRHJNFDBGOG-LLVKDONJSA-N -1 3 374.871 3.013 20 0 FGADHM COCc1cccc([N-]S(=O)(=O)c2ccc(OCC(F)F)cc2)c1 ZINC000181673445 496498687 /nfs/dbraw/zinc/49/86/87/496498687.db2.gz WKTVFCVOPKQDAH-UHFFFAOYSA-N -1 3 357.378 3.278 20 0 FGADHM CN(CCCc1cc(-c2ccccc2)n(C)n1)C(=O)c1cccc2[n-]nnc21 ZINC000187589759 496501876 /nfs/dbraw/zinc/50/18/76/496501876.db2.gz CXQPYTVNRXPUSA-UHFFFAOYSA-N -1 3 374.448 3.063 20 0 FGADHM CN(CCCc1cc(-c2ccccc2)n(C)n1)C(=O)c1cccc2nn[n-]c21 ZINC000187589759 496501877 /nfs/dbraw/zinc/50/18/77/496501877.db2.gz CXQPYTVNRXPUSA-UHFFFAOYSA-N -1 3 374.448 3.063 20 0 FGADHM CN(CCCc1cc(-c2ccccc2)n(C)n1)C(=O)c1cccc2n[n-]nc21 ZINC000187589759 496501884 /nfs/dbraw/zinc/50/18/84/496501884.db2.gz CXQPYTVNRXPUSA-UHFFFAOYSA-N -1 3 374.448 3.063 20 0 FGADHM COc1ccc(Cl)cc1CS(=O)(=O)[N-]Cc1noc2ccccc21 ZINC000571928356 505847845 /nfs/dbraw/zinc/84/78/45/505847845.db2.gz CSRFSOFSUCCNSC-UHFFFAOYSA-N -1 3 366.826 3.109 20 0 FGADHM COc1ccc(C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1O ZINC000178586349 496508269 /nfs/dbraw/zinc/50/82/69/496508269.db2.gz YMVQLKXIXUKVOD-UHFFFAOYSA-N -1 3 362.234 3.186 20 0 FGADHM O=C(Nc1ccc(Br)cc1[O-])c1ccccc1Cn1cncn1 ZINC000608111217 506423103 /nfs/dbraw/zinc/42/31/03/506423103.db2.gz APUGQTQXZKERDM-UHFFFAOYSA-N -1 3 373.210 3.047 20 0 FGADHM COCc1c(Br)cccc1NC(=O)c1cccc2nn[n-]c21 ZINC000187657793 496524461 /nfs/dbraw/zinc/52/44/61/496524461.db2.gz WZEMJIZGHVDTTB-UHFFFAOYSA-N -1 3 361.199 3.119 20 0 FGADHM COCc1c(Br)cccc1NC(=O)c1cccc2[n-]nnc21 ZINC000187657793 496524466 /nfs/dbraw/zinc/52/44/66/496524466.db2.gz WZEMJIZGHVDTTB-UHFFFAOYSA-N -1 3 361.199 3.119 20 0 FGADHM COCc1c(Br)cccc1NC(=O)c1cccc2n[n-]nc21 ZINC000187657793 496524473 /nfs/dbraw/zinc/52/44/73/496524473.db2.gz WZEMJIZGHVDTTB-UHFFFAOYSA-N -1 3 361.199 3.119 20 0 FGADHM COc1cc(C(=O)NC(C)(C)c2nc(C)c(C)s2)cc(OC)c1[O-] ZINC000163531706 496528059 /nfs/dbraw/zinc/52/80/59/496528059.db2.gz UWBVHUBEHLLKBP-UHFFFAOYSA-N -1 3 350.440 3.148 20 0 FGADHM C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)NCc1ccc([O-])c(F)c1 ZINC000163640639 496540595 /nfs/dbraw/zinc/54/05/95/496540595.db2.gz IUAIERSWQABOLK-CYBMUJFWSA-N -1 3 369.400 3.015 20 0 FGADHM COC(=O)[C@H]([N-]S(=O)(=O)Cc1ccccc1)c1ccc2ccccc2c1 ZINC000181816646 496557055 /nfs/dbraw/zinc/55/70/55/496557055.db2.gz QKHAGBBUFMUOGK-LJQANCHMSA-N -1 3 369.442 3.174 20 0 FGADHM COc1cc(C(=O)N[C@H](C)c2ccc(-n3cccn3)cc2)cc(OC)c1[O-] ZINC000163801099 496559496 /nfs/dbraw/zinc/55/94/96/496559496.db2.gz JHWIXLJSIDKJQH-CYBMUJFWSA-N -1 3 367.405 3.086 20 0 FGADHM O=C(N[C@@H](c1ccccc1)c1ccc2[nH]cnc2c1)c1ccc(O)cc1[O-] ZINC000181833299 496564550 /nfs/dbraw/zinc/56/45/50/496564550.db2.gz NDBZTPFDPGJSLK-FQEVSTJZSA-N -1 3 359.385 3.494 20 0 FGADHM O=C(N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1)c1ccc(O)cc1[O-] ZINC000181833299 496564554 /nfs/dbraw/zinc/56/45/54/496564554.db2.gz NDBZTPFDPGJSLK-FQEVSTJZSA-N -1 3 359.385 3.494 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)c1ccc(-c2csc(C)n2)s1)[C@H]1CCCO1 ZINC000157847702 496569289 /nfs/dbraw/zinc/56/92/89/496569289.db2.gz XWVXOIHWYCLAPX-WCQYABFASA-N -1 3 372.537 3.416 20 0 FGADHM O=C(N=c1cc2ccccn2[n-]1)N1CCC(Oc2ccccc2Cl)CC1 ZINC000580852073 505853152 /nfs/dbraw/zinc/85/31/52/505853152.db2.gz CMFVJUFMSSKOQN-UHFFFAOYSA-N -1 3 370.840 3.485 20 0 FGADHM COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)N2CCCc3cccc([O-])c32)c1 ZINC000187834888 496588636 /nfs/dbraw/zinc/58/86/36/496588636.db2.gz KZSQVEWDIRKGLK-RDJZCZTQSA-N -1 3 353.418 3.492 20 0 FGADHM O=S(=O)([N-]CCc1cscn1)c1ccc(Cl)cc1C(F)(F)F ZINC000158027640 496611684 /nfs/dbraw/zinc/61/16/84/496611684.db2.gz VUXOIYGRHCVYME-UHFFFAOYSA-N -1 3 370.805 3.336 20 0 FGADHM CC(C)(CNC(=O)NCc1ccc([O-])c(F)c1)c1ccc2c(c1)OCO2 ZINC000158097900 496626605 /nfs/dbraw/zinc/62/66/05/496626605.db2.gz FQZARJGKQCYNIJ-UHFFFAOYSA-N -1 3 360.385 3.037 20 0 FGADHM O=C(NC1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1cccc([O-])c1 ZINC000182006271 496632436 /nfs/dbraw/zinc/63/24/36/496632436.db2.gz HTNVHYJVNCLAEU-UHFFFAOYSA-N -1 3 365.355 3.205 20 0 FGADHM Cc1csc(CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)n1 ZINC000173317812 496640776 /nfs/dbraw/zinc/64/07/76/496640776.db2.gz DIQMGXFLAIPSHI-UHFFFAOYSA-N -1 3 355.448 3.166 20 0 FGADHM Cc1coc2ccc(NC(=O)NCCCNC(=O)c3cccc([O-])c3)cc12 ZINC000188017724 496652734 /nfs/dbraw/zinc/65/27/34/496652734.db2.gz SZVDPISHGJVLHM-UHFFFAOYSA-N -1 3 367.405 3.388 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]c2cccc(CN3C[C@H](C)O[C@@H](C)C3)c2)cc1 ZINC000154007139 496653419 /nfs/dbraw/zinc/65/34/19/496653419.db2.gz VQKCXEILNRPEMA-IRXDYDNUSA-N -1 3 374.506 3.405 20 0 FGADHM O=C(Nc1ccccc1CN1CCC(O)CC1)c1ccc(Cl)cc1[O-] ZINC000182065082 496655996 /nfs/dbraw/zinc/65/59/96/496655996.db2.gz CRCKBRRFHVXAGF-UHFFFAOYSA-N -1 3 360.841 3.255 20 0 FGADHM O=C(c1cc2sc3ccccc3c2s1)N1CCc2nc[n-]c(=O)c2C1 ZINC000179053861 496659332 /nfs/dbraw/zinc/65/93/32/496659332.db2.gz XGXFBXTWKDLQJU-UHFFFAOYSA-N -1 3 367.455 3.398 20 0 FGADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 ZINC000176048960 496659337 /nfs/dbraw/zinc/65/93/37/496659337.db2.gz NLYOHDKHZMWSOD-UHFFFAOYSA-N -1 3 374.784 3.076 20 0 FGADHM CC[C@@](C)([N-]S(=O)(=O)C1=Cc2ccccc2OC1)c1nccs1 ZINC000188041693 496660630 /nfs/dbraw/zinc/66/06/30/496660630.db2.gz AGTNOTNXEYCBAR-MRXNPFEDSA-N -1 3 350.465 3.121 20 0 FGADHM O=S(=O)([N-]c1ccc(O[C@H]2CCOC2)cc1)c1ccc(Cl)cc1 ZINC000158257587 496661553 /nfs/dbraw/zinc/66/15/53/496661553.db2.gz ZJULTSDKGMXFOB-HNNXBMFYSA-N -1 3 353.827 3.309 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(O[C@H]3CCOC3)cc2)cc1F ZINC000158268519 496663938 /nfs/dbraw/zinc/66/39/38/496663938.db2.gz OFHJHHWMIUIABP-HNNXBMFYSA-N -1 3 351.399 3.103 20 0 FGADHM Cc1c(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)cccc1-c1ccccn1 ZINC000165749893 496667377 /nfs/dbraw/zinc/66/73/77/496667377.db2.gz MPGLFVSTXGVXQR-UHFFFAOYSA-N -1 3 356.389 3.489 20 0 FGADHM Cc1c(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)cccc1-c1ccccn1 ZINC000165749893 496667381 /nfs/dbraw/zinc/66/73/81/496667381.db2.gz MPGLFVSTXGVXQR-UHFFFAOYSA-N -1 3 356.389 3.489 20 0 FGADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)c2nc(C(C)(C)C)no2)sc1Cl ZINC000188068405 496670139 /nfs/dbraw/zinc/67/01/39/496670139.db2.gz NKSLXAPKIJWSNA-QMMMGPOBSA-N -1 3 363.892 3.430 20 0 FGADHM CCC(CC)(C(=O)N1CCc2nc[n-]c(=O)c2C1)c1ccc(Cl)cc1 ZINC000179092973 496672635 /nfs/dbraw/zinc/67/26/35/496672635.db2.gz YIKOSEIMZPFYJN-UHFFFAOYSA-N -1 3 359.857 3.066 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)[C@H]3C[C@@H]3c3cc(F)ccc3F)[n-]c21 ZINC000158444528 496702744 /nfs/dbraw/zinc/70/27/44/496702744.db2.gz CMOFGSFIKJAKMY-YPMHNXCESA-N -1 3 371.343 3.370 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@H]3C[C@@H]3c3cc(F)ccc3F)nc21 ZINC000158444528 496702747 /nfs/dbraw/zinc/70/27/47/496702747.db2.gz CMOFGSFIKJAKMY-YPMHNXCESA-N -1 3 371.343 3.370 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)CCCc3csc(C)n3)[n-]c21 ZINC000158445954 496703731 /nfs/dbraw/zinc/70/37/31/496703731.db2.gz WHTKFZRWNVKJKC-UHFFFAOYSA-N -1 3 358.423 3.076 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)CCCc3csc(C)n3)nc21 ZINC000158445954 496703735 /nfs/dbraw/zinc/70/37/35/496703735.db2.gz WHTKFZRWNVKJKC-UHFFFAOYSA-N -1 3 358.423 3.076 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)CCCOCc3ccccc3)[n-]c21 ZINC000158449157 496703976 /nfs/dbraw/zinc/70/39/76/496703976.db2.gz SYJXXXYFIRDJOH-UHFFFAOYSA-N -1 3 367.405 3.285 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)CCCOCc3ccccc3)nc21 ZINC000158449157 496703979 /nfs/dbraw/zinc/70/39/79/496703979.db2.gz SYJXXXYFIRDJOH-UHFFFAOYSA-N -1 3 367.405 3.285 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3c(C)nn(CC)c3C)c2)n1 ZINC000263828671 496737605 /nfs/dbraw/zinc/73/76/05/496737605.db2.gz OJRKTTQTJBUSNT-UHFFFAOYSA-N -1 3 365.437 3.497 20 0 FGADHM O=C(Nc1ccc(CCO)cc1)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000188317958 496751141 /nfs/dbraw/zinc/75/11/41/496751141.db2.gz SJVMLVSKDQSOPW-UHFFFAOYSA-N -1 3 361.397 3.410 20 0 FGADHM O=C([O-])[C@H](CSCCOc1ccccc1)NCc1ccc(F)c(F)c1 ZINC000277383805 496755310 /nfs/dbraw/zinc/75/53/10/496755310.db2.gz QWTDJVTVZHWMHH-KRWDZBQOSA-N -1 3 367.417 3.320 20 0 FGADHM C[C@H]1CN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])CC[S@](=O)C1 ZINC000277433228 496771356 /nfs/dbraw/zinc/77/13/56/496771356.db2.gz GNSIXXUNEAWDRY-SXBQZSJRSA-N -1 3 359.447 3.025 20 0 FGADHM O=C([O-])[C@H](CN1CCCCC1)NCc1cc(C(F)(F)F)ccc1Cl ZINC000277438586 496773109 /nfs/dbraw/zinc/77/31/09/496773109.db2.gz ULEBTRANRZDYSI-AWEZNQCLSA-N -1 3 364.795 3.388 20 0 FGADHM Cc1c([O-])ccc2c(CSc3nnc(N(C)C)n3C(C)C)cc(=O)oc12 ZINC000264037253 496796823 /nfs/dbraw/zinc/79/68/23/496796823.db2.gz GYQXIAVPJHKYAI-UHFFFAOYSA-N -1 3 374.466 3.338 20 0 FGADHM CCOCc1cccc(NC([O-])=NOC[C@H](C)NC(=O)OC(C)(C)C)c1 ZINC000273421965 496801532 /nfs/dbraw/zinc/80/15/32/496801532.db2.gz SHZINHYPMPPCRF-ZDUSSCGKSA-N -1 3 367.446 3.189 20 0 FGADHM CCOCc1cccc(NC(=O)[N-]OC[C@H](C)NC(=O)OC(C)(C)C)c1 ZINC000273421965 496801540 /nfs/dbraw/zinc/80/15/40/496801540.db2.gz SHZINHYPMPPCRF-ZDUSSCGKSA-N -1 3 367.446 3.189 20 0 FGADHM Cc1cc(C(=O)N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)[n-]c(=O)n1 ZINC000268884315 496813881 /nfs/dbraw/zinc/81/38/81/496813881.db2.gz RTWKPCGJPUKQOZ-AWEZNQCLSA-N -1 3 368.220 3.011 20 0 FGADHM O=S(=O)([N-][C@@H]1CCO[C@H](c2ccc(F)cc2)C1)c1cc(F)cc(F)c1 ZINC000273509409 496826091 /nfs/dbraw/zinc/82/60/91/496826091.db2.gz LFCAJMFACYDUFD-WBVHZDCISA-N -1 3 371.380 3.303 20 0 FGADHM C[C@@H](NC(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1)C1CCOCC1 ZINC000188575715 496837850 /nfs/dbraw/zinc/83/78/50/496837850.db2.gz GDQYBZZRHRBVLX-CQSZACIVSA-N -1 3 353.418 3.168 20 0 FGADHM COC(=O)c1ccc(CN(C)C(=O)c2cc([O-])ccc2C(F)(F)F)cc1 ZINC000188585838 496842175 /nfs/dbraw/zinc/84/21/75/496842175.db2.gz GIAFIJZCABIMNG-UHFFFAOYSA-N -1 3 367.323 3.470 20 0 FGADHM C[C@H](c1nc(Cc2nc(=O)c3c(C4CC4)csc3[n-]2)no1)n1cccn1 ZINC000273669936 496870257 /nfs/dbraw/zinc/87/02/57/496870257.db2.gz BKJAOJLWMKJHFH-SECBINFHSA-N -1 3 368.422 3.054 20 0 FGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)[C@H]1C[C@H]1c1ccccc1Cl ZINC000247518582 496878649 /nfs/dbraw/zinc/87/86/49/496878649.db2.gz KQLJBHPFMNXMCM-STQMWFEESA-N -1 3 364.854 3.454 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]C[C@H](c2cccs2)N(C)C)sc1Cl ZINC000191837378 496905973 /nfs/dbraw/zinc/90/59/73/496905973.db2.gz JIWSHACAZMXXPA-SNVBAGLBSA-N -1 3 364.945 3.353 20 0 FGADHM O=C(N[C@@H]1c2ccccc2C[C@@H]1O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000188788375 496909737 /nfs/dbraw/zinc/90/97/37/496909737.db2.gz FHEMOWBJHCXFRG-LEWJYISDSA-N -1 3 373.408 3.011 20 0 FGADHM COc1ccc2c(c1)CCCCN2C(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000273856607 496934254 /nfs/dbraw/zinc/93/42/54/496934254.db2.gz MXLQITJXDMLQGS-UHFFFAOYSA-N -1 3 357.406 3.401 20 0 FGADHM Cc1ccc(-c2cc(-c3nc(CC(=O)NC4CCCCC4)no3)n[n-]2)o1 ZINC000264602246 496941823 /nfs/dbraw/zinc/94/18/23/496941823.db2.gz KPIAMRYWOIIQCY-UHFFFAOYSA-N -1 3 355.398 3.020 20 0 FGADHM Cc1ccc(-c2cc(-c3nc(CC(=O)NC4CCCCC4)no3)[n-]n2)o1 ZINC000264602246 496941827 /nfs/dbraw/zinc/94/18/27/496941827.db2.gz KPIAMRYWOIIQCY-UHFFFAOYSA-N -1 3 355.398 3.020 20 0 FGADHM COC[C@H](NCc1ccc(OC)c([O-])c1Br)c1ccco1 ZINC000273889301 496946623 /nfs/dbraw/zinc/94/66/23/496946623.db2.gz YQUXDPUAMYOWQM-NSHDSACASA-N -1 3 356.216 3.234 20 0 FGADHM C[C@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)c1cccc2[n-]nnc21 ZINC000188921232 496949077 /nfs/dbraw/zinc/94/90/77/496949077.db2.gz SOWVARCRJONKTM-MEDUHNTESA-N -1 3 356.813 3.214 20 0 FGADHM C[C@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)c1cccc2nn[n-]c21 ZINC000188921232 496949083 /nfs/dbraw/zinc/94/90/83/496949083.db2.gz SOWVARCRJONKTM-MEDUHNTESA-N -1 3 356.813 3.214 20 0 FGADHM C[C@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)c1cccc2n[n-]nc21 ZINC000188921232 496949090 /nfs/dbraw/zinc/94/90/90/496949090.db2.gz SOWVARCRJONKTM-MEDUHNTESA-N -1 3 356.813 3.214 20 0 FGADHM COc1cc([N-]S(=O)(=O)CCc2cccs2)c(Cl)c(OC)c1 ZINC000569199125 505875819 /nfs/dbraw/zinc/87/58/19/505875819.db2.gz WEVMYYOGHSTEKZ-UHFFFAOYSA-N -1 3 361.872 3.403 20 0 FGADHM CCOC(=O)c1c(C)c(C(C)=O)sc1[N-]C(=O)c1c(C)noc1C ZINC000264671552 496959243 /nfs/dbraw/zinc/95/92/43/496959243.db2.gz 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ZINC000580959294 505877127 /nfs/dbraw/zinc/87/71/27/505877127.db2.gz XRMPKCVTCMEPHB-UHFFFAOYSA-N -1 3 350.426 3.454 20 0 FGADHM CC(C)Cn1ncc(NC(=O)c2cn[n-]c2-c2ccncc2)c1C1CC1 ZINC000580959294 505877131 /nfs/dbraw/zinc/87/71/31/505877131.db2.gz XRMPKCVTCMEPHB-UHFFFAOYSA-N -1 3 350.426 3.454 20 0 FGADHM O=C([N-]c1cnns1)C(=O)N[C@H](c1cccc(Cl)c1)C1CCCC1 ZINC000192056963 496979659 /nfs/dbraw/zinc/97/96/59/496979659.db2.gz SXGXRIDOQFSKBT-AWEZNQCLSA-N -1 3 364.858 3.178 20 0 FGADHM CCOC(=O)c1cc(NC(=O)C2(c3ccc(C(F)(F)F)cc3)CC2)n[n-]1 ZINC000189019979 496980507 /nfs/dbraw/zinc/98/05/07/496980507.db2.gz XNSKNIZKSXKMQM-UHFFFAOYSA-N -1 3 367.327 3.276 20 0 FGADHM CCOC(=O)c1cc(NC(=O)C2(c3ccc(C(F)(F)F)cc3)CC2)[n-]n1 ZINC000189019979 496980512 /nfs/dbraw/zinc/98/05/12/496980512.db2.gz XNSKNIZKSXKMQM-UHFFFAOYSA-N -1 3 367.327 3.276 20 0 FGADHM CC[C@@H](C)Sc1ccc(NC(=O)C(=O)[N-]c2cnns2)c(C)c1 ZINC000192085616 496990992 /nfs/dbraw/zinc/99/09/92/496990992.db2.gz QWMWBXKCHSWUDB-SNVBAGLBSA-N -1 3 350.469 3.314 20 0 FGADHM CC1(C)CCCc2sc(NC(=O)c3c[n-]c4ccncc4c3=O)nc21 ZINC000569208361 505877967 /nfs/dbraw/zinc/87/79/67/505877967.db2.gz YSNPXCUSPTZMJS-UHFFFAOYSA-N -1 3 354.435 3.246 20 0 FGADHM Cc1nccc(-c2cccc(NC(=O)c3n[n-]nc3-c3ccccc3)c2)n1 ZINC000189056120 496993237 /nfs/dbraw/zinc/99/32/37/496993237.db2.gz RHDKPYLNKUVGAG-UHFFFAOYSA-N -1 3 356.389 3.489 20 0 FGADHM CO[C@@H](C)c1nc(Cc2noc(-c3cc(-c4ccco4)[n-]n3)n2)cs1 ZINC000274082501 497011221 /nfs/dbraw/zinc/01/12/21/497011221.db2.gz RMTWESGJOAOFQS-VIFPVBQESA-N -1 3 357.395 3.474 20 0 FGADHM CO[C@@H](C)c1nc(Cc2noc(-c3cc(-c4ccco4)n[n-]3)n2)cs1 ZINC000274082501 497011226 /nfs/dbraw/zinc/01/12/26/497011226.db2.gz RMTWESGJOAOFQS-VIFPVBQESA-N -1 3 357.395 3.474 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)N1CC2(CCOCC2)c2ccccc21 ZINC000189181504 497036676 /nfs/dbraw/zinc/03/66/76/497036676.db2.gz MWNSTANKOZPBLJ-UHFFFAOYSA-N -1 3 356.397 3.309 20 0 FGADHM COc1ccc(C(F)(F)C(=O)[N-]Cc2csc([C@@H](C)OC)n2)cc1 ZINC000270173105 497070771 /nfs/dbraw/zinc/07/07/71/497070771.db2.gz LNQUXMCWRCCYTB-SNVBAGLBSA-N -1 3 356.394 3.267 20 0 FGADHM Cc1cc(NC(=O)C[N-]c2nnc(C3CC3)o2)ccc1Br ZINC000278441762 497115292 /nfs/dbraw/zinc/11/52/92/497115292.db2.gz QTAQMGUQNUPZEX-UHFFFAOYSA-N -1 3 351.204 3.069 20 0 FGADHM O=C(CC1(CSc2ccccc2)CC1)N1CCc2c(=O)[n-]cnc2C1 ZINC000274529847 497119123 /nfs/dbraw/zinc/11/91/23/497119123.db2.gz CYMQOYASYVJYPO-UHFFFAOYSA-N -1 3 355.463 3.030 20 0 FGADHM CCOC(=O)c1sc([N-]C(=O)c2ncsc2C(F)(F)F)nc1C ZINC000278503015 497136163 /nfs/dbraw/zinc/13/61/63/497136163.db2.gz CZJXCUBSBAKLTJ-UHFFFAOYSA-N -1 3 365.358 3.356 20 0 FGADHM O=C(c1cccc([O-])c1)N1CCN(Cc2ccc(Cl)nc2Cl)CC1 ZINC000278540989 497148821 /nfs/dbraw/zinc/14/88/21/497148821.db2.gz GHRAOULKVGHYPH-UHFFFAOYSA-N -1 3 366.248 3.052 20 0 FGADHM O=C(NC[C@@H]1COC2(CCCCC2)O1)c1cc([O-])ccc1C(F)(F)F ZINC000189554703 497160665 /nfs/dbraw/zinc/16/06/65/497160665.db2.gz MACVZRMQXYRPMJ-GFCCVEGCSA-N -1 3 359.344 3.217 20 0 FGADHM O=C(c1cc([O-])ccc1C(F)(F)F)N1CCCN(c2ccccn2)CC1 ZINC000189566324 497165157 /nfs/dbraw/zinc/16/51/57/497165157.db2.gz ZIFWQNFVGUGIPR-UHFFFAOYSA-N -1 3 365.355 3.159 20 0 FGADHM O=S1(=O)CCN(Cc2cc([O-])cc(C(F)(F)F)c2)Cc2ccccc21 ZINC000574948628 505888667 /nfs/dbraw/zinc/88/86/67/505888667.db2.gz KMPIPUHZYJLPTK-UHFFFAOYSA-N -1 3 371.380 3.201 20 0 FGADHM CC(C)(C(=O)Nc1ccc(F)c([N-]S(C)(=O)=O)c1)c1ccccc1 ZINC000192666358 497179631 /nfs/dbraw/zinc/17/96/31/497179631.db2.gz SSSRLSYMVRCURM-UHFFFAOYSA-N -1 3 350.415 3.114 20 0 FGADHM O=C(NCc1ccccc1)c1cccc(NC([O-])=NO[C@@H]2CCCCO2)c1 ZINC000274842261 497180131 /nfs/dbraw/zinc/18/01/31/497180131.db2.gz OSSNZTLLEGVZBA-GOSISDBHSA-N -1 3 369.421 3.196 20 0 FGADHM O=C([N-]O[C@@H]1CCCCO1)Nc1cccc(C(=O)NCc2ccccc2)c1 ZINC000274842261 497180134 /nfs/dbraw/zinc/18/01/34/497180134.db2.gz OSSNZTLLEGVZBA-GOSISDBHSA-N -1 3 369.421 3.196 20 0 FGADHM O=C(c1cccc([O-])c1)N1CCN(CCSCc2ccccc2)CC1 ZINC000192679590 497182813 /nfs/dbraw/zinc/18/28/13/497182813.db2.gz SZWXYKUMMUGBQZ-UHFFFAOYSA-N -1 3 356.491 3.083 20 0 FGADHM COCCOc1ccc(CNC(=O)c2cc([O-])ccc2C(F)(F)F)cc1 ZINC000192683477 497183803 /nfs/dbraw/zinc/18/38/03/497183803.db2.gz PFHWUHHCACQGHF-UHFFFAOYSA-N -1 3 369.339 3.366 20 0 FGADHM Cc1cccnc1C(F)(F)C(=O)[N-][C@@H](C)c1noc(-c2ccccc2)n1 ZINC000192720455 497194902 /nfs/dbraw/zinc/19/49/02/497194902.db2.gz OCGAZRCGMYNVPP-LBPRGKRZSA-N -1 3 358.348 3.409 20 0 FGADHM CSc1nnc(NC(=O)c2cc(NC(=O)CC(C)C)ccc2Cl)[n-]1 ZINC000265951141 497216600 /nfs/dbraw/zinc/21/66/00/497216600.db2.gz MJBFJMHCUVXNDA-UHFFFAOYSA-N -1 3 367.862 3.417 20 0 FGADHM CSc1n[n-]c(NC(=O)c2cc(NC(=O)CC(C)C)ccc2Cl)n1 ZINC000265951141 497216606 /nfs/dbraw/zinc/21/66/06/497216606.db2.gz MJBFJMHCUVXNDA-UHFFFAOYSA-N -1 3 367.862 3.417 20 0 FGADHM CSc1nc(NC(=O)c2cc(NC(=O)CC(C)C)ccc2Cl)n[n-]1 ZINC000265951141 497216609 /nfs/dbraw/zinc/21/66/09/497216609.db2.gz MJBFJMHCUVXNDA-UHFFFAOYSA-N -1 3 367.862 3.417 20 0 FGADHM Cc1cccnc1C(F)(F)C(=O)[N-]C1(c2ccc(F)cc2)CCOCC1 ZINC000278807066 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O=C(c1cccnc1)N1CCCC[C@H]1c1nc(-c2ccc([O-])cc2)no1 ZINC000350592003 498121987 /nfs/dbraw/zinc/12/19/87/498121987.db2.gz YCDRETLTNXCELY-INIZCTEOSA-N -1 3 350.378 3.205 20 0 FGADHM CC(C)n1cnc(S(=O)(=O)[N-]C[C@@H]2CCCC[C@H]2C(F)(F)F)c1 ZINC000330419326 498130224 /nfs/dbraw/zinc/13/02/24/498130224.db2.gz DSRZXBMGGPHDDV-NWDGAFQWSA-N -1 3 353.410 3.111 20 0 FGADHM Cc1cc(C)cc(NC(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)c1 ZINC000289403223 498133479 /nfs/dbraw/zinc/13/34/79/498133479.db2.gz AMCNYTOGZQZSCX-CYBMUJFWSA-N -1 3 357.376 3.226 20 0 FGADHM CCC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C[C@H]2CCO[C@@H](C)C2)c1 ZINC000281397767 498135057 /nfs/dbraw/zinc/13/50/57/498135057.db2.gz GWHKGLLAWKCTQY-RYUDHWBXSA-N -1 3 359.875 3.026 20 0 FGADHM CCOc1cc(-c2noc([C@@H]3CC(=O)N(C4CCCC4)C3)n2)ccc1[O-] ZINC000350790228 498136103 /nfs/dbraw/zinc/13/61/03/498136103.db2.gz DSELMVMYFVCHKD-CYBMUJFWSA-N -1 3 357.410 3.099 20 0 FGADHM CCOc1nc2cc(C(=O)N[C@H]3CCO[C@H](c4ccncc4)C3)ccc2[n-]1 ZINC000575632817 505985914 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FGADHM CCC(=O)c1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C)C2CCOCC2)c1 ZINC000281607024 498211397 /nfs/dbraw/zinc/21/13/97/498211397.db2.gz YSWYCHXIZYJQOS-NSHDSACASA-N -1 3 359.875 3.026 20 0 FGADHM Cn1cc([C@H]2CN(C(=O)c3cc([O-])ccc3C(F)(F)F)CC2(C)C)cn1 ZINC000575760185 505997756 /nfs/dbraw/zinc/99/77/56/505997756.db2.gz HSAMWRBJSAHITA-OAHLLOKOSA-N -1 3 367.371 3.410 20 0 FGADHM O=C([N-]C[C@H]1CCCN(Cc2ncc(-c3ccccc3)o2)C1)C(F)(F)F ZINC000289621570 498220271 /nfs/dbraw/zinc/22/02/71/498220271.db2.gz ZAUYIUUAJXOMHE-CYBMUJFWSA-N -1 3 367.371 3.232 20 0 FGADHM CNC(=O)c1cc(Oc2cc(NC([O-])=NOC(C)C)ccc2C)ccn1 ZINC000296865930 498228619 /nfs/dbraw/zinc/22/86/19/498228619.db2.gz LRAPZWFWRAKXAK-UHFFFAOYSA-N -1 3 358.398 3.003 20 0 FGADHM CNC(=O)c1cc(Oc2cc(NC(=O)[N-]OC(C)C)ccc2C)ccn1 ZINC000296865930 498228622 /nfs/dbraw/zinc/22/86/22/498228622.db2.gz LRAPZWFWRAKXAK-UHFFFAOYSA-N -1 3 358.398 3.003 20 0 FGADHM COc1ccc(C(=O)N=c2[nH][n-]c(-c3ccncc3)c2C)c(OC(F)F)c1 ZINC000364967897 498232107 /nfs/dbraw/zinc/23/21/07/498232107.db2.gz DTIKANQSKORCRY-UHFFFAOYSA-N -1 3 374.347 3.064 20 0 FGADHM CC[C@@H](CC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)c1ccccc1 ZINC000281750386 498256924 /nfs/dbraw/zinc/25/69/24/498256924.db2.gz PLFLSVJPDCDALR-HNNXBMFYSA-N -1 3 370.415 3.487 20 0 FGADHM O=C(CC1CCC(C(F)(F)F)CC1)NCc1nnc(C(F)(F)F)[n-]1 ZINC000331132228 498258546 /nfs/dbraw/zinc/25/85/46/498258546.db2.gz SXMQZGYQZMPPFJ-UHFFFAOYSA-N -1 3 358.286 3.199 20 0 FGADHM O=C(CC1CCC(C(F)(F)F)CC1)NCc1n[n-]c(C(F)(F)F)n1 ZINC000331132228 498258553 /nfs/dbraw/zinc/25/85/53/498258553.db2.gz SXMQZGYQZMPPFJ-UHFFFAOYSA-N -1 3 358.286 3.199 20 0 FGADHM O=C(CC1CCC(C(F)(F)F)CC1)NCc1nc(C(F)(F)F)n[n-]1 ZINC000331132228 498258562 /nfs/dbraw/zinc/25/85/62/498258562.db2.gz SXMQZGYQZMPPFJ-UHFFFAOYSA-N -1 3 358.286 3.199 20 0 FGADHM O=C(N[C@@H](c1ccccc1)c1ccccn1)c1cc(=O)c2ccccc2[n-]1 ZINC000360305488 498263581 /nfs/dbraw/zinc/26/35/81/498263581.db2.gz JSOAFAQQLXKELL-NRFANRHFSA-N -1 3 355.397 3.443 20 0 FGADHM Oc1[n-]c(N2CCC(c3cccc(Br)c3)CC2)nc2nncc1-2 ZINC000281917757 498318022 /nfs/dbraw/zinc/31/80/22/498318022.db2.gz QTYOKTASQOEGEH-UHFFFAOYSA-N -1 3 374.242 3.205 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC[C@@H]3c3cnn(C)c3C)nc2)n1 ZINC000301904707 498321436 /nfs/dbraw/zinc/32/14/36/498321436.db2.gz YFUKVEGYCHUBPY-QGZVFWFLSA-N -1 3 364.453 3.190 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1ccco1)c1ccc(C(F)(F)F)nc1Cl ZINC000293269237 498327136 /nfs/dbraw/zinc/32/71/36/498327136.db2.gz XVGCYRCTZWGHNZ-SSDOTTSWSA-N -1 3 354.737 3.386 20 0 FGADHM Cc1cccc(C(=O)N2CCCC[C@@H]2c2nnc([C@H]3CCCO3)o2)c1[O-] ZINC000289863482 498328081 /nfs/dbraw/zinc/32/80/81/498328081.db2.gz VTVXZERBQHNANB-HUUCEWRRSA-N -1 3 357.410 3.303 20 0 FGADHM CC[C@H](C[N-]S(=O)(=O)c1c(C)oc(C)c1C(=O)OC)c1ccccc1 ZINC000581516204 506006004 /nfs/dbraw/zinc/00/60/04/506006004.db2.gz AGPNXMOCJZWARZ-CQSZACIVSA-N -1 3 365.451 3.155 20 0 FGADHM C[C@H]1CCN(C(=O)NCc2nnc(C(F)(F)F)[n-]2)[C@@H](c2ccco2)C1 ZINC000331462044 498338615 /nfs/dbraw/zinc/33/86/15/498338615.db2.gz NLTZAETTWVDBTI-VHSXEESVSA-N -1 3 357.336 3.099 20 0 FGADHM C[C@H]1CCN(C(=O)NCc2n[n-]c(C(F)(F)F)n2)[C@@H](c2ccco2)C1 ZINC000331462044 498338620 /nfs/dbraw/zinc/33/86/20/498338620.db2.gz NLTZAETTWVDBTI-VHSXEESVSA-N -1 3 357.336 3.099 20 0 FGADHM C[C@H]1CCN(C(=O)NCc2nc(C(F)(F)F)n[n-]2)[C@@H](c2ccco2)C1 ZINC000331462044 498338624 /nfs/dbraw/zinc/33/86/24/498338624.db2.gz NLTZAETTWVDBTI-VHSXEESVSA-N -1 3 357.336 3.099 20 0 FGADHM Cc1nc(NC([O-])=NOCC(C)(C)O)sc1Cc1c(F)cccc1F ZINC000297208450 498358891 /nfs/dbraw/zinc/35/88/91/498358891.db2.gz SMPHWBPKBYPZNB-UHFFFAOYSA-N -1 3 371.409 3.145 20 0 FGADHM Cc1nc(NC(=O)[N-]OCC(C)(C)O)sc1Cc1c(F)cccc1F ZINC000297208450 498358896 /nfs/dbraw/zinc/35/88/96/498358896.db2.gz SMPHWBPKBYPZNB-UHFFFAOYSA-N -1 3 371.409 3.145 20 0 FGADHM O=C(CCc1ccc2ccccc2c1[O-])N1CCCN(CC(F)F)CC1 ZINC000297212341 498359633 /nfs/dbraw/zinc/35/96/33/498359633.db2.gz SCWXQLZJFOUEQU-UHFFFAOYSA-N -1 3 362.420 3.277 20 0 FGADHM O=C([O-])c1cnccc1N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000575871965 506023129 /nfs/dbraw/zinc/02/31/29/506023129.db2.gz YSBAOTQIERKCNA-ZDUSSCGKSA-N -1 3 368.368 3.353 20 0 FGADHM Cc1ccc([C@H]2CCCN2C(=O)NCc2nnc(C(F)(F)F)[n-]2)cc1C ZINC000331576226 498379582 /nfs/dbraw/zinc/37/95/82/498379582.db2.gz SEWHSYIBJZZTLN-CYBMUJFWSA-N -1 3 367.375 3.487 20 0 FGADHM Cc1ccc([C@H]2CCCN2C(=O)NCc2n[n-]c(C(F)(F)F)n2)cc1C ZINC000331576226 498379588 /nfs/dbraw/zinc/37/95/88/498379588.db2.gz SEWHSYIBJZZTLN-CYBMUJFWSA-N -1 3 367.375 3.487 20 0 FGADHM Cc1ccc([C@H]2CCCN2C(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1C ZINC000331576226 498379593 /nfs/dbraw/zinc/37/95/93/498379593.db2.gz SEWHSYIBJZZTLN-CYBMUJFWSA-N -1 3 367.375 3.487 20 0 FGADHM O=C([N-]c1nnc(CC(F)(F)F)s1)c1ccncc1C(F)(F)F ZINC000282097372 498382924 /nfs/dbraw/zinc/38/29/24/498382924.db2.gz DKBTVWGQQGPPCD-UHFFFAOYSA-N -1 3 356.251 3.309 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)o1 ZINC000331599602 498387728 /nfs/dbraw/zinc/38/77/28/498387728.db2.gz VEBICGHXPXUZFR-HOCLYGCPSA-N -1 3 372.849 3.104 20 0 FGADHM O=C(Cc1ccc(Br)cc1[O-])N1CCCC[C@@H]1c1cc[nH]n1 ZINC000575889710 506027009 /nfs/dbraw/zinc/02/70/09/506027009.db2.gz GNIDBXRCODKLEV-CQSZACIVSA-N -1 3 364.243 3.174 20 0 FGADHM Cc1cc(CS(=O)(=O)[N-]CC2(c3cccc(F)c3F)CCCC2)on1 ZINC000578826631 506029321 /nfs/dbraw/zinc/02/93/21/506029321.db2.gz UTQBGPHZLSNZBS-UHFFFAOYSA-N -1 3 370.421 3.193 20 0 FGADHM COc1cccc2c(C(=O)Nc3nc(CN4CCCCC4)cs3)[n-]nc21 ZINC000290077887 498420559 /nfs/dbraw/zinc/42/05/59/498420559.db2.gz QKWCVNQVECPYDM-UHFFFAOYSA-N -1 3 371.466 3.266 20 0 FGADHM COc1cccc2c(C(=O)Nc3nc(CN4CCCCC4)cs3)n[n-]c21 ZINC000290077887 498420564 /nfs/dbraw/zinc/42/05/64/498420564.db2.gz QKWCVNQVECPYDM-UHFFFAOYSA-N -1 3 371.466 3.266 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-][C@@H]1CCCc2c(F)cc(F)cc21 ZINC000578835621 506031585 /nfs/dbraw/zinc/03/15/85/506031585.db2.gz CAAVIIJUQNJAGI-CYBMUJFWSA-N -1 3 359.419 3.391 20 0 FGADHM CC(=O)c1ccc(C(=O)N2CCO[C@@H](c3ccc(F)cc3F)C2)cc1[O-] ZINC000578844459 506034435 /nfs/dbraw/zinc/03/44/35/506034435.db2.gz XEBJLONZKLFMCN-GOSISDBHSA-N -1 3 361.344 3.087 20 0 FGADHM CC(C)(C)c1ccc(C2(NC(=O)C(=O)[N-]c3cnns3)CCCC2)cc1 ZINC000290147451 498441982 /nfs/dbraw/zinc/44/19/82/498441982.db2.gz VNBWMTAKFLYZOV-UHFFFAOYSA-N -1 3 372.494 3.360 20 0 FGADHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)CCO1 ZINC000286600258 498449083 /nfs/dbraw/zinc/44/90/83/498449083.db2.gz XSSRDRVZZXHCAY-PSASIEDQSA-N -1 3 357.781 3.205 20 0 FGADHM Cc1nc(C(=O)[N-]c2nc3c(s2)C(=O)CCC3)c(Br)s1 ZINC000331808174 498461080 /nfs/dbraw/zinc/46/10/80/498461080.db2.gz UCHVNMJVVZYBHJ-UHFFFAOYSA-N -1 3 372.269 3.442 20 0 FGADHM COc1cc(C(=O)N2CCC[C@@H]2Cc2ccc(F)cc2)cc(OC)c1[O-] ZINC000362080988 498461532 /nfs/dbraw/zinc/46/15/32/498461532.db2.gz UXCOSEHEGBTYHY-MRXNPFEDSA-N -1 3 359.397 3.396 20 0 FGADHM CC(C)c1nccn1CCC(=O)N=c1cc(-c2cccc(F)c2F)[n-][nH]1 ZINC000572725662 506037799 /nfs/dbraw/zinc/03/77/99/506037799.db2.gz WXYWEHVVQSSHDA-UHFFFAOYSA-N -1 3 359.380 3.126 20 0 FGADHM O=C(CNC(=O)c1cccc([O-])c1)N[C@H]1CCCc2sc(Cl)cc21 ZINC000293728003 498469262 /nfs/dbraw/zinc/46/92/62/498469262.db2.gz QFSVRXYEXFNEEJ-ZDUSSCGKSA-N -1 3 364.854 3.031 20 0 FGADHM O=S(=O)([N-]C[C@H](c1ccccc1)C(F)(F)F)c1cccc2c1OCO2 ZINC000572782850 506050466 /nfs/dbraw/zinc/05/04/66/506050466.db2.gz BOSUOMQNLFUHEG-GFCCVEGCSA-N -1 3 373.352 3.040 20 0 FGADHM COc1ccc([O-])c(C(=O)N2CCC(N3CCc4ccccc43)CC2)c1 ZINC000282359907 498480529 /nfs/dbraw/zinc/48/05/29/498480529.db2.gz PVKLVGWEAYCSHO-UHFFFAOYSA-N -1 3 352.434 3.068 20 0 FGADHM Cc1cc(=O)[n-]c([C@@H](C)N(C)CCOc2ccc(Br)cc2)n1 ZINC000569897905 506041171 /nfs/dbraw/zinc/04/11/71/506041171.db2.gz LKLGGWPBQDKPDR-GFCCVEGCSA-N -1 3 366.259 3.325 20 0 FGADHM CCc1nc([C@H](C)[N-]S(=O)(=O)c2cccnc2C(F)(F)F)cs1 ZINC000286720907 498487863 /nfs/dbraw/zinc/48/78/63/498487863.db2.gz BPWVDODTRDCVDG-QMMMGPOBSA-N -1 3 365.402 3.159 20 0 FGADHM CCCCc1ccc(NC(=O)N2CCC[C@H]2C[C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000286804781 498514371 /nfs/dbraw/zinc/51/43/71/498514371.db2.gz AXGBSYFBBRPUAE-JXFKEZNVSA-N -1 3 372.469 3.014 20 0 FGADHM CO[C@H](CS(=O)(=O)[N-]c1cccc(Nc2nc(C)cs2)c1)C1CC1 ZINC000575988700 506049830 /nfs/dbraw/zinc/04/98/30/506049830.db2.gz WCLQMGDIMCLZKP-OAHLLOKOSA-N -1 3 367.496 3.362 20 0 FGADHM Cc1nn(-c2ccc(F)cc2F)c(C)c1CN1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000569927414 506050181 /nfs/dbraw/zinc/05/01/81/506050181.db2.gz UKLZSVZOFKGGDI-IAQYHMDHSA-N -1 3 363.408 3.310 20 0 FGADHM Cc1nn(C)c(Cl)c1C(=O)Nc1cccc(-c2nc(C)cc(=O)[n-]2)c1 ZINC000365580036 498541513 /nfs/dbraw/zinc/54/15/13/498541513.db2.gz CNUGWRBGWWUFDR-UHFFFAOYSA-N -1 3 357.801 3.105 20 0 FGADHM COc1cc(Br)ccc1[C@@H](C)Nc1nc2nncc-2c(O)[n-]1 ZINC000302739693 498554896 /nfs/dbraw/zinc/55/48/96/498554896.db2.gz CHSNFRASFNAFHM-SSDOTTSWSA-N -1 3 364.203 3.003 20 0 FGADHM C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)c1cc([O-])ccc1Cl ZINC000290447300 498556453 /nfs/dbraw/zinc/55/64/53/498556453.db2.gz OGLKVNDXQZZXLR-IAQYHMDHSA-N -1 3 368.861 3.421 20 0 FGADHM C/C(=C\C(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1)c1ccc(F)cc1 ZINC000290453794 498559144 /nfs/dbraw/zinc/55/91/44/498559144.db2.gz URZGEJZTRLPNNI-SRXBQZRASA-N -1 3 372.362 3.146 20 0 FGADHM Cc1nc(CO[C@@H]2CCN(C(=O)c3cc([O-])ccc3Cl)C2)cs1 ZINC000365634714 498570380 /nfs/dbraw/zinc/57/03/80/498570380.db2.gz MCIWQGXQQKQBNL-CYBMUJFWSA-N -1 3 352.843 3.242 20 0 FGADHM CC(C)[C@@H](O)C1(C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000332130424 498573282 /nfs/dbraw/zinc/57/32/82/498573282.db2.gz JOTJUXKKTWTFLV-CYBMUJFWSA-N -1 3 352.283 3.069 20 0 FGADHM Cc1nc([C@@H]([N-]C(=O)C(F)C(F)(F)F)c2ccc(Cl)c(F)c2)no1 ZINC000365639724 498573778 /nfs/dbraw/zinc/57/37/78/498573778.db2.gz AYYAKXKKBGOPCF-UWVGGRQHSA-N -1 3 369.677 3.277 20 0 FGADHM CC(=O)c1cccc(NC(=O)CCCc2ccc3[nH]c(=O)[nH]c3c2)c1[O-] ZINC000581742140 506057866 /nfs/dbraw/zinc/05/78/66/506057866.db2.gz KDBSHBPHOBRYPI-UHFFFAOYSA-N -1 3 353.378 3.138 20 0 FGADHM C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])c1c(F)cccc1F ZINC000362937364 498583995 /nfs/dbraw/zinc/58/39/95/498583995.db2.gz YJERJYMNWOPVNJ-WBMJQRKESA-N -1 3 374.387 3.152 20 0 FGADHM CCOc1cc(CNc2cc(C(=O)NC)ccc2OC)cc(Cl)c1[O-] ZINC000297852255 498587606 /nfs/dbraw/zinc/58/76/06/498587606.db2.gz OQOIOYNYXRJBMT-UHFFFAOYSA-N -1 3 364.829 3.425 20 0 FGADHM C[C@@H](NC(=O)NC1CCN(C(=O)c2cccc([O-])c2)CC1)C1CCCCC1 ZINC000365675845 498592253 /nfs/dbraw/zinc/59/22/53/498592253.db2.gz USBIMZWLQWBXPJ-OAHLLOKOSA-N -1 3 373.497 3.265 20 0 FGADHM Cc1c(F)cccc1NC(=O)NC1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000365749967 498625275 /nfs/dbraw/zinc/62/52/75/498625275.db2.gz QAGSPEDRRHHLAL-UHFFFAOYSA-N -1 3 371.412 3.266 20 0 FGADHM Cc1ccc(C(=O)N2CCC[C@@H](c3nc(C(F)(F)F)cn3C)C2)c([O-])c1 ZINC000332302149 498641393 /nfs/dbraw/zinc/64/13/93/498641393.db2.gz KVKRIZJTRVCYFH-GFCCVEGCSA-N -1 3 367.371 3.473 20 0 FGADHM CCOc1cc(CN2C[C@H](C)O[C@@]3(CCO[C@@H]3C)C2)cc(Cl)c1[O-] ZINC000298034528 498644598 /nfs/dbraw/zinc/64/45/98/498644598.db2.gz GKWYYXFSNXGZAT-JCGVRSQUSA-N -1 3 355.862 3.213 20 0 FGADHM CCOC(=O)[C@H]1CCCc2sc([N-]C(=O)c3cc(C4CC4)no3)nc21 ZINC000294337787 498661737 /nfs/dbraw/zinc/66/17/37/498661737.db2.gz WUHYMEVDWXYDAO-JTQLQIEISA-N -1 3 361.423 3.244 20 0 FGADHM O=C(N[C@@H]1CCO[C@H](c2ccncc2)C1)c1ccc2c(c1[O-])CCCC2 ZINC000570021184 506070740 /nfs/dbraw/zinc/07/07/40/506070740.db2.gz UIAYHQHGGJEDKD-APWZRJJASA-N -1 3 352.434 3.316 20 0 FGADHM CSC[C@H]1CCCN(C(=O)Cc2ccc(Br)cc2[O-])C1 ZINC000581842537 506071320 /nfs/dbraw/zinc/07/13/20/506071320.db2.gz OOFNITFDAHNJOZ-NSHDSACASA-N -1 3 358.301 3.299 20 0 FGADHM O=C(c1ccc(C(=O)N2CC[C@@H](O)CC23CCC3)cc1)c1cccc([O-])c1 ZINC000572868368 506071343 /nfs/dbraw/zinc/07/13/43/506071343.db2.gz SJWWBMGAWKGJPC-LJQANCHMSA-N -1 3 365.429 3.143 20 0 FGADHM O=C([N-]c1nnc(C2CCOCC2)s1)c1nc(Cl)ccc1Cl ZINC000294374340 498674756 /nfs/dbraw/zinc/67/47/56/498674756.db2.gz RSCUQWYJMKKBML-UHFFFAOYSA-N -1 3 359.238 3.386 20 0 FGADHM CCOC(=O)Cc1nnc([N-]C(=O)c2cc3cc(C)ccc3s2)s1 ZINC000290792603 498680951 /nfs/dbraw/zinc/68/09/51/498680951.db2.gz DLMULVXWSTVQBH-UHFFFAOYSA-N -1 3 361.448 3.419 20 0 FGADHM COc1cccc(C2(C[N-]S(=O)(=O)c3cc(F)c(F)c(F)c3)CC2)c1 ZINC000579015073 506075068 /nfs/dbraw/zinc/07/50/68/506075068.db2.gz JVEXNDHSAICJQX-UHFFFAOYSA-N -1 3 371.380 3.123 20 0 FGADHM C[C@@H]1CC[C@H](C(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)C[C@H]1C ZINC000332507037 498707130 /nfs/dbraw/zinc/70/71/30/498707130.db2.gz BWAUHGHCVJAOGV-OAGGEKHMSA-N -1 3 358.482 3.185 20 0 FGADHM CCc1ccc(C(=O)N2CCN(C(=O)Nc3ccc(F)cc3)CC2)c([O-])c1 ZINC000332519236 498710413 /nfs/dbraw/zinc/71/04/13/498710413.db2.gz JLUNDZIDEQEJOI-UHFFFAOYSA-N -1 3 371.412 3.084 20 0 FGADHM CC(C)(C)CCCC(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000303834435 498720190 /nfs/dbraw/zinc/72/01/90/498720190.db2.gz MAKGMQRTFGHEBU-UHFFFAOYSA-N -1 3 356.463 3.421 20 0 FGADHM Cc1cc(Br)oc1C(=O)[N-]c1cc(-c2cncc(C)c2)on1 ZINC000365989774 498722923 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/nfs/dbraw/zinc/12/60/43/499126043.db2.gz ZREZSRUYMIJGEV-HNNXBMFYSA-N -1 3 373.478 3.246 20 0 FGADHM C[C@@H](NC(=O)c1ccc2n[n-]nc2c1)c1nnc(-c2cccc(F)c2)s1 ZINC000372467982 499131079 /nfs/dbraw/zinc/13/10/79/499131079.db2.gz ARBBODSXBPANPL-SECBINFHSA-N -1 3 368.397 3.107 20 0 FGADHM O=c1[n-]nc(CN2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)s1 ZINC000367073257 499144051 /nfs/dbraw/zinc/14/40/51/499144051.db2.gz JOQNAUROSBHBKW-SSDOTTSWSA-N -1 3 350.391 3.099 20 0 FGADHM COc1cccc(C(=O)N[C@@H]2C[C@H]2c2cccc(Br)c2)c1[O-] ZINC000582102143 506133485 /nfs/dbraw/zinc/13/34/85/506133485.db2.gz AUCWASMMUGQJHP-UONOGXRCSA-N -1 3 362.223 3.449 20 0 FGADHM CO[C@@H](C)c1nc(=NC2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)s[n-]1 ZINC000367174820 499157681 /nfs/dbraw/zinc/15/76/81/499157681.db2.gz XNHSYNITYLRHTI-LNRIEFBSSA-N -1 3 358.511 3.275 20 0 FGADHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)CCc3nnc(C(C)C)o3)c2)n1 ZINC000369982716 499160987 /nfs/dbraw/zinc/16/09/87/499160987.db2.gz BLDQVQXLIFDNIB-UHFFFAOYSA-N -1 3 367.409 3.235 20 0 FGADHM Cc1c(C(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)sc2nccn12 ZINC000367208314 499162042 /nfs/dbraw/zinc/16/20/42/499162042.db2.gz INCKNXILHIIYGJ-UHFFFAOYSA-N -1 3 365.418 3.015 20 0 FGADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CC[C@@](F)(c2ccccc2F)C1 ZINC000367237395 499166480 /nfs/dbraw/zinc/16/64/80/499166480.db2.gz KXKKYAIPCPSVMR-FQEVSTJZSA-N -1 3 354.356 3.378 20 0 FGADHM COc1cc(C(=O)N[C@H](c2ccccc2)C2CCOCC2)cc(OC)c1[O-] ZINC000372854608 499185196 /nfs/dbraw/zinc/18/51/96/499185196.db2.gz CUEFAYQBRKNLLX-LJQANCHMSA-N -1 3 371.433 3.307 20 0 FGADHM O=C(c1ccc2c(c1[O-])CCCC2)N1CCC[C@](O)(C(F)(F)F)CC1 ZINC000367345225 499185623 /nfs/dbraw/zinc/18/56/23/499185623.db2.gz FXYPCUVSFLDYOG-QGZVFWFLSA-N -1 3 357.372 3.191 20 0 FGADHM CC[C@@H](CNC(=O)CC1CCC(C(=O)[O-])CC1)N1CCc2ccccc2C1 ZINC000576350292 506137129 /nfs/dbraw/zinc/13/71/29/506137129.db2.gz XLLHRRIVWTWOIB-NLPFYKDJSA-N -1 3 372.509 3.221 20 0 FGADHM CC(C)[C@H](NCCC[N-]C(=O)C(F)(F)F)c1nc(-c2ccccc2)no1 ZINC000370359710 499212957 /nfs/dbraw/zinc/21/29/57/499212957.db2.gz PMYJEBLTSIKBFE-ZDUSSCGKSA-N -1 3 370.375 3.092 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)c1nnc(-c2cccc(F)c2)s1 ZINC000370438749 499220767 /nfs/dbraw/zinc/22/07/67/499220767.db2.gz PCYJRBRBLWTKRO-SECBINFHSA-N -1 3 369.468 3.445 20 0 FGADHM C[C@]1(c2ccc(C(=O)N3CCCC34CCCCCC4)cc2)NC(=O)[N-]C1=O ZINC000367744372 499230257 /nfs/dbraw/zinc/23/02/57/499230257.db2.gz AHWCFRJGSKKUDN-HXUWFJFHSA-N -1 3 369.465 3.070 20 0 FGADHM C[C@H](NC(=O)NCc1ccc([O-])c(F)c1)c1nccn1-c1ccccc1 ZINC000367897082 499242862 /nfs/dbraw/zinc/24/28/62/499242862.db2.gz QXORZAMZIOGTFW-ZDUSSCGKSA-N -1 3 354.385 3.277 20 0 FGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H]1c2cccc(F)c2O[C@H]1C ZINC000370707007 499246485 /nfs/dbraw/zinc/24/64/85/499246485.db2.gz NMFRVQSIHQWFSJ-HZMBPMFUSA-N -1 3 359.401 3.179 20 0 FGADHM CC(=O)N1CCCCC[C@H]1C1CCN(C(=O)c2cc(C)ccc2[O-])CC1 ZINC000370800128 499255505 /nfs/dbraw/zinc/25/55/05/499255505.db2.gz FQQFOJCGECWIRD-IBGZPJMESA-N -1 3 358.482 3.344 20 0 FGADHM COc1cccc([C@H]2C[C@@H](C)CN2C(=O)CCc2c(C)nc(C)[n-]c2=O)c1 ZINC000368234166 499276572 /nfs/dbraw/zinc/27/65/72/499276572.db2.gz JHYJUVWUQVODDI-BFUOFWGJSA-N -1 3 369.465 3.350 20 0 FGADHM CCOc1cc(C(=O)N2CCCC23CCN(C)CC3)cc(Cl)c1[O-] ZINC000368358261 499288690 /nfs/dbraw/zinc/28/86/90/499288690.db2.gz SIXCAJBYPWELPM-UHFFFAOYSA-N -1 3 352.862 3.145 20 0 FGADHM C[C@@H]1C[C@H](C)CCN(C(=O)NC2CCN(C(=O)c3cccc([O-])c3)CC2)C1 ZINC000371253624 499302751 /nfs/dbraw/zinc/30/27/51/499302751.db2.gz MEGTYGMZPCFCHY-HZPDHXFCSA-N -1 3 373.497 3.074 20 0 FGADHM O=C(Nc1nnc(-c2c(F)cccc2F)[n-]1)c1cc2c(s1)CCOC2 ZINC000368540472 499305591 /nfs/dbraw/zinc/30/55/91/499305591.db2.gz WIJMATZTUUXKIB-UHFFFAOYSA-N -1 3 362.361 3.136 20 0 FGADHM O=C(Nc1nc(-c2c(F)cccc2F)n[n-]1)c1cc2c(s1)CCOC2 ZINC000368540472 499305594 /nfs/dbraw/zinc/30/55/94/499305594.db2.gz WIJMATZTUUXKIB-UHFFFAOYSA-N -1 3 362.361 3.136 20 0 FGADHM Cc1cc([N-]C(=O)[C@H](C)Nc2cccc3c2CN(c2nccs2)C3)on1 ZINC000371369814 499316172 /nfs/dbraw/zinc/31/61/72/499316172.db2.gz LEKQTEGHFIABDN-LBPRGKRZSA-N -1 3 369.450 3.399 20 0 FGADHM CO[C@@H](CS(=O)(=O)[N-]c1cccc(COCc2ccco2)c1)C1CC1 ZINC000570332491 506143655 /nfs/dbraw/zinc/14/36/55/506143655.db2.gz QTSZETHGWZMNGY-SFHVURJKSA-N -1 3 365.451 3.163 20 0 FGADHM Cc1cccc(C(=O)N(C)[C@@H](c2ccc(F)cc2)c2ncccn2)c1[O-] ZINC000369125937 499368269 /nfs/dbraw/zinc/36/82/69/499368269.db2.gz PNOPCPFBDFMBIB-KRWDZBQOSA-N -1 3 351.381 3.491 20 0 FGADHM Cc1nc(CO[C@@H]2CCN(C(=O)c3ccc4c(c3[O-])CCCC4)C2)cs1 ZINC000369135295 499369254 /nfs/dbraw/zinc/36/92/54/499369254.db2.gz VALKDPRVJYDREP-MRXNPFEDSA-N -1 3 372.490 3.467 20 0 FGADHM CC(C)Cn1cnnc1[C@@H]1CCCN1C(=O)Cc1ccc([O-])cc1Cl ZINC000372030711 499391241 /nfs/dbraw/zinc/39/12/41/499391241.db2.gz HLNNEKFSBVTUGI-INIZCTEOSA-N -1 3 362.861 3.199 20 0 FGADHM O=C(c1c[n-]c2ccncc2c1=O)N1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000573214669 506146424 /nfs/dbraw/zinc/14/64/24/506146424.db2.gz SOABMLWTBPFUBN-CQSZACIVSA-N -1 3 365.408 3.472 20 0 FGADHM COCc1nc(C(=O)[N-]c2cc(-c3ccc4ncccc4c3)on2)cs1 ZINC000373414330 499468315 /nfs/dbraw/zinc/46/83/15/499468315.db2.gz ABOPRTGPYJIFMF-UHFFFAOYSA-N -1 3 366.402 3.167 20 0 FGADHM O=C(N=c1cc(-c2ccc3ncccc3c2)o[n-]1)c1cncc(Cl)n1 ZINC000373417650 499468633 /nfs/dbraw/zinc/46/86/33/499468633.db2.gz NEJMVWJBAMQPHZ-UHFFFAOYSA-N -1 3 351.753 3.007 20 0 FGADHM COc1cccc([C@@H]([N-]S(=O)(=O)c2cc(C)oc2C)c2ccccn2)c1 ZINC000373502428 499473633 /nfs/dbraw/zinc/47/36/33/499473633.db2.gz YHAHJCCBPCUOLU-LJQANCHMSA-N -1 3 372.446 3.368 20 0 FGADHM C[C@]1(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)CNC(=O)C1 ZINC000373511810 499474217 /nfs/dbraw/zinc/47/42/17/499474217.db2.gz CKSAXOAPHTVYBT-LJQANCHMSA-N -1 3 367.430 3.134 20 0 FGADHM COCCN(C(=O)NCc1ccc([O-])c(F)c1)[C@H]1CCCc2cccnc21 ZINC000373598904 499478933 /nfs/dbraw/zinc/47/89/33/499478933.db2.gz VZDZDCVMSBQGPI-KRWDZBQOSA-N -1 3 373.428 3.162 20 0 FGADHM CCc1ccc(C(=O)N(CC)[C@@H](c2nccn2C)c2cccnc2)c([O-])c1 ZINC000373724973 499485059 /nfs/dbraw/zinc/48/50/59/499485059.db2.gz DZRDYKUDFKFUMZ-LJQANCHMSA-N -1 3 364.449 3.335 20 0 FGADHM C[C@@H]1CN(C(=O)c2cc([O-])c3ccccc3c2)C[C@]2(CCO[C@H](C)C2)O1 ZINC000373751186 499486274 /nfs/dbraw/zinc/48/62/74/499486274.db2.gz KEHDDKKKDFHXHR-VTJXTGGHSA-N -1 3 355.434 3.344 20 0 FGADHM COc1cc(C(=O)N2CCS[C@@H](c3ccccc3)C2)cc(OC)c1[O-] ZINC000375151496 499489845 /nfs/dbraw/zinc/48/98/45/499489845.db2.gz JJIYZCMUXCYNPP-QGZVFWFLSA-N -1 3 359.447 3.340 20 0 FGADHM O=C(c1cc(OCc2ccccc2)ccc1[O-])N1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000378237671 499493233 /nfs/dbraw/zinc/49/32/33/499493233.db2.gz RLOPEFLVRUJINZ-QZTJIDSGSA-N -1 3 367.445 3.470 20 0 FGADHM Cc1c(C(=O)N2CC[C@H](C)c3cccc([O-])c32)cnn1CC1CCOCC1 ZINC000375286056 499503312 /nfs/dbraw/zinc/50/33/12/499503312.db2.gz IAWSCDFJLWXSAJ-AWEZNQCLSA-N -1 3 369.465 3.478 20 0 FGADHM O=S(=O)([N-][C@H](c1ccccc1)[C@@H]1CCOC1)c1cc(F)cc(F)c1 ZINC000378379618 499509329 /nfs/dbraw/zinc/50/93/29/499509329.db2.gz RCUHYXQVLCQNRL-CXAGYDPISA-N -1 3 353.390 3.021 20 0 FGADHM CCOC(=O)c1csc(=N[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)[n-]1 ZINC000379606041 499541940 /nfs/dbraw/zinc/54/19/40/499541940.db2.gz BGQNNERWJGTTLF-GOEBONIOSA-N -1 3 359.495 3.207 20 0 FGADHM COC(=O)c1[n-]c(=N[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)sc1C ZINC000379641858 499541985 /nfs/dbraw/zinc/54/19/85/499541985.db2.gz VLLOIQHWWOFEQD-CJNGLKHVSA-N -1 3 359.495 3.125 20 0 FGADHM O=C(c1cc([O-])c2ccccc2c1)N1CCC(CCN2CCOCC2)CC1 ZINC000375668158 499542942 /nfs/dbraw/zinc/54/29/42/499542942.db2.gz CYGSTAMSVNXCRQ-UHFFFAOYSA-N -1 3 368.477 3.120 20 0 FGADHM O=c1cc(CN2CC[C@H](C3CCOCC3)C2)c2cc(Cl)c([O-])cc2o1 ZINC000375676667 499544310 /nfs/dbraw/zinc/54/43/10/499544310.db2.gz OUFPTRKCQMZOHL-ZDUSSCGKSA-N -1 3 363.841 3.401 20 0 FGADHM Cc1ccoc1C[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000382293586 499545317 /nfs/dbraw/zinc/54/53/17/499545317.db2.gz JIFXVUNIQCHECH-UHFFFAOYSA-N -1 3 364.648 3.482 20 0 FGADHM CN(C(=O)c1csc(=O)[n-]1)[C@H]1CCOc2ccc(Br)cc21 ZINC000375692902 499545801 /nfs/dbraw/zinc/54/58/01/499545801.db2.gz NHRNMDNOXKDYDD-NSHDSACASA-N -1 3 369.240 3.207 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]CC2CC(F)(F)C2)c(Br)c1 ZINC000383322013 499546542 /nfs/dbraw/zinc/54/65/42/499546542.db2.gz XWUJEOOQSHDAHF-UHFFFAOYSA-N -1 3 354.216 3.081 20 0 FGADHM COC(=O)Cc1ccc(S(=O)(=O)[N-]c2cccc(C)c2Cl)cc1 ZINC000391956963 499557528 /nfs/dbraw/zinc/55/75/28/499557528.db2.gz LLMHOHOZCWQEDH-UHFFFAOYSA-N -1 3 353.827 3.165 20 0 FGADHM C[C@H]1C[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2Br)CS1 ZINC000397860847 499565203 /nfs/dbraw/zinc/56/52/03/499565203.db2.gz OFSZOGZNHRLWKI-YUMQZZPRSA-N -1 3 370.721 3.275 20 0 FGADHM COc1ccc(CN(C)C)cc1[N-]S(=O)(=O)c1ccc(C)cc1F ZINC000404902003 499570404 /nfs/dbraw/zinc/57/04/04/499570404.db2.gz DIGKAKWPMFCHHP-UHFFFAOYSA-N -1 3 352.431 3.005 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]CCCCOCc2ccccc2)c(F)c1 ZINC000404967906 499570804 /nfs/dbraw/zinc/57/08/04/499570804.db2.gz MHKYIDMOPDCRBY-UHFFFAOYSA-N -1 3 351.443 3.409 20 0 FGADHM CS(=O)(=O)[N-]c1cc(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)ccc1F ZINC000407975849 499572695 /nfs/dbraw/zinc/57/26/95/499572695.db2.gz IPDZJEDCZNRGBM-KCQAQPDRSA-N -1 3 368.474 3.286 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]C2(c3noc(C)n3)CCCCC2)sc1C ZINC000408098307 499576337 /nfs/dbraw/zinc/57/63/37/499576337.db2.gz PYYKCEXERDKHOC-UHFFFAOYSA-N -1 3 355.485 3.194 20 0 FGADHM O=C(c1c[n-]c2ccc(Br)cc2c1=O)N1C[C@@H]2CCC[C@@H]2C1 ZINC000408192915 499579773 /nfs/dbraw/zinc/57/97/73/499579773.db2.gz AZFLVDAWXNXNBK-PHIMTYICSA-N -1 3 361.239 3.163 20 0 FGADHM Cn1[n-]c(=NC(=O)N2CCCC3(CCCCC3)CC2)cc1OC(F)F ZINC000408280153 499582805 /nfs/dbraw/zinc/58/28/05/499582805.db2.gz NCZZDXXCXMZLSW-UHFFFAOYSA-N -1 3 356.417 3.412 20 0 FGADHM Cn1cc(C(=O)C[C@H]2CCCN2C(=O)c2cc([O-])c3ccccc3c2)cn1 ZINC000376135334 499585819 /nfs/dbraw/zinc/58/58/19/499585819.db2.gz QYBGWLZXHZNOII-QGZVFWFLSA-N -1 3 363.417 3.157 20 0 FGADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000376175149 499588938 /nfs/dbraw/zinc/58/89/38/499588938.db2.gz STBNBGOEPQIJSO-DBXWQHBBSA-N -1 3 374.440 3.173 20 0 FGADHM CCOc1cccc(S(=O)(=O)[N-][C@@H](C2CCCC2)C(F)(F)F)c1 ZINC000409483991 499600494 /nfs/dbraw/zinc/60/04/94/499600494.db2.gz KGRNTMMNNMRAOJ-AWEZNQCLSA-N -1 3 351.390 3.485 20 0 FGADHM O=C(CCCNC(=O)[C@@H]1CC=CCC1)N=c1cc(-c2cccc(F)c2)o[n-]1 ZINC000410007506 499636113 /nfs/dbraw/zinc/63/61/13/499636113.db2.gz TUSRFSSWSFGNAS-CQSZACIVSA-N -1 3 371.412 3.094 20 0 FGADHM Cc1ccc([O-])c(C(=O)NCc2cc(Cl)ccc2N2CCOCC2)c1 ZINC000410048599 499638009 /nfs/dbraw/zinc/63/80/09/499638009.db2.gz VFXCQCAYEYOWLD-UHFFFAOYSA-N -1 3 360.841 3.121 20 0 FGADHM C[C@H]1C[C@]1(NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)c1ccc(Cl)cc1 ZINC000410053855 499638511 /nfs/dbraw/zinc/63/85/11/499638511.db2.gz OFUWURYFQZVAJN-APBUJDDRSA-N -1 3 369.808 3.280 20 0 FGADHM Cc1ccc(C(=O)N2CCC(n3cc(Br)cn3)CC2)c([O-])c1 ZINC000377182219 499668507 /nfs/dbraw/zinc/66/85/07/499668507.db2.gz DGXPYWRGRFKPQA-UHFFFAOYSA-N -1 3 364.243 3.137 20 0 FGADHM Cc1ccccc1-c1nc(C(=O)[N-]c2nncn2-c2cccnc2)cs1 ZINC000377192314 499669262 /nfs/dbraw/zinc/66/92/62/499669262.db2.gz JEAARBVTJXUROT-UHFFFAOYSA-N -1 3 362.418 3.347 20 0 FGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)c1coc(-c2ccnc(C)c2)n1 ZINC000410620704 499670932 /nfs/dbraw/zinc/67/09/32/499670932.db2.gz FGLBRKCIGFKDPW-UHFFFAOYSA-N -1 3 370.365 3.024 20 0 FGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)c1cc(Br)co1 ZINC000410625897 499671294 /nfs/dbraw/zinc/67/12/94/499671294.db2.gz PFCCYAOYAVTYQC-UHFFFAOYSA-N -1 3 357.160 3.022 20 0 FGADHM CCCCc1nc(C(=O)OCC)c(NC(=O)c2c(C)onc2C2CC2)[n-]1 ZINC000410755033 499676765 /nfs/dbraw/zinc/67/67/65/499676765.db2.gz QMGNBOGUBYMBCP-UHFFFAOYSA-N -1 3 360.414 3.355 20 0 FGADHM CCCCc1nc(NC(=O)c2c(C)onc2C2CC2)c(C(=O)OCC)[n-]1 ZINC000410755033 499676766 /nfs/dbraw/zinc/67/67/66/499676766.db2.gz QMGNBOGUBYMBCP-UHFFFAOYSA-N -1 3 360.414 3.355 20 0 FGADHM C[C@@H](Cc1cncc2ccccc21)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000377287927 499677052 /nfs/dbraw/zinc/67/70/52/499677052.db2.gz 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499722418 /nfs/dbraw/zinc/72/24/18/499722418.db2.gz XIVZNNUVSYKZCM-UHFFFAOYSA-N -1 3 363.377 3.436 20 0 FGADHM CCCCC[C@@H]1CCCN1C(=O)C(=O)[N-]c1nccn1-c1ccccc1 ZINC000411310139 499724913 /nfs/dbraw/zinc/72/49/13/499724913.db2.gz NJKLYUYXSXMGON-MRXNPFEDSA-N -1 3 354.454 3.382 20 0 FGADHM Cc1cnc([C@H]2CCCN(C(=O)c3c[n-]c4ccccc4c3=O)C2)s1 ZINC000377744578 499727449 /nfs/dbraw/zinc/72/74/49/499727449.db2.gz SANOGFQQKUNGJG-ZDUSSCGKSA-N -1 3 353.447 3.313 20 0 FGADHM CC[C@@H](C)[C@@H]1CCCCN1C(=O)C(=O)[N-]c1nccn1-c1ccccc1 ZINC000411407686 499736063 /nfs/dbraw/zinc/73/60/63/499736063.db2.gz JWWZSFNVVNEWMI-WBVHZDCISA-N -1 3 354.454 3.238 20 0 FGADHM CC(=O)c1ccc(C(=O)N[C@@H](c2ccc(F)cc2)[C@@H]2CCCO2)cc1[O-] ZINC000411586159 499766249 /nfs/dbraw/zinc/76/62/49/499766249.db2.gz NJOYLRNPKCFRDV-OALUTQOASA-N -1 3 357.381 3.384 20 0 FGADHM COC(C)(C)CS(=O)(=O)[N-]c1cc(-c2cncc(F)c2)ccc1C ZINC000414380224 499783902 /nfs/dbraw/zinc/78/39/02/499783902.db2.gz GFQWXEMTJKACTR-UHFFFAOYSA-N -1 3 352.431 3.363 20 0 FGADHM O=c1[nH]c(CC(F)(F)F)c([O-])n1-c1cc(Cl)cc(Br)c1 ZINC000414387061 499784992 /nfs/dbraw/zinc/78/49/92/499784992.db2.gz ZRLWAXALDZKETB-MRVPVSSYSA-N -1 3 371.540 3.480 20 0 FGADHM COc1cc([N-]S(=O)(=O)c2ccc(N(C)C)cc2)cc(OC)c1Cl ZINC000414390145 499785528 /nfs/dbraw/zinc/78/55/28/499785528.db2.gz VQTAUTIBPULZEA-UHFFFAOYSA-N -1 3 370.858 3.224 20 0 FGADHM C[C@H]1CN(c2c(C(=O)[O-])cnc3cc4c(cc32)OCO4)CCC1(F)F ZINC000570400399 506159338 /nfs/dbraw/zinc/15/93/38/506159338.db2.gz XCRJANQMXTZFEQ-VIFPVBQESA-N -1 3 350.321 3.143 20 0 FGADHM CC(=O)c1ccc(C(=O)Nc2cccc([C@H](C)N3CCOCC3)c2)cc1[O-] ZINC000412019666 499813521 /nfs/dbraw/zinc/81/35/21/499813521.db2.gz ILHDCHLFQIHXPA-AWEZNQCLSA-N -1 3 368.433 3.240 20 0 FGADHM CC[C@H](c1nnc([N-]C(=O)c2cnn(C)c2OC)s1)c1ccccc1 ZINC000412038381 499815686 /nfs/dbraw/zinc/81/56/86/499815686.db2.gz OPXJDUNQNXACQG-LBPRGKRZSA-N -1 3 357.439 3.074 20 0 FGADHM Cc1cc(Br)cc(CN[C@H](C)CC(=O)[O-])c1OC(F)F ZINC000414634214 499815744 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20 0 FGADHM CCOC(=O)[C@@H](CC)C(=O)Nc1n[n-]c(-c2cc(Cl)ccc2Cl)n1 ZINC000412279189 499840737 /nfs/dbraw/zinc/84/07/37/499840737.db2.gz XRYRRMUIXUKDDK-VIFPVBQESA-N -1 3 371.224 3.306 20 0 FGADHM O=C(c1c[n-]c2c(Cl)cccc2c1=O)N1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000412321328 499844654 /nfs/dbraw/zinc/84/46/54/499844654.db2.gz YHSKQLHXVLTWTO-VUCTXSBTSA-N -1 3 374.868 3.337 20 0 FGADHM CC1(C)C[C@@H]1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000412534119 499861020 /nfs/dbraw/zinc/86/10/20/499861020.db2.gz DYPDAVJLHFEGDD-INIZCTEOSA-N -1 3 362.426 3.155 20 0 FGADHM CO[C@@H](Cc1ccccc1)CS(=O)(=O)[N-]c1ccc(F)cc1Cl ZINC000421141169 499969890 /nfs/dbraw/zinc/96/98/90/499969890.db2.gz OTRSLMUVFJOLAQ-AWEZNQCLSA-N -1 3 357.834 3.479 20 0 FGADHM CCOC(=O)c1cnc([N-]C(=O)Nc2cccc(CC(F)(F)F)c2)n1C ZINC000417098420 499971833 /nfs/dbraw/zinc/97/18/33/499971833.db2.gz FYHWKKRZWIAGTF-UHFFFAOYSA-N -1 3 370.331 3.346 20 0 FGADHM CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1cccc(OC[C@@H]2CCCO2)c1 ZINC000421158211 499976293 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3.393 20 0 FGADHM COc1cccc(OC)c1CNC[C@H](Cc1ccccc1Cl)C(=O)[O-] ZINC000417547588 500104298 /nfs/dbraw/zinc/10/42/98/500104298.db2.gz ONIXJFVLLCURGN-AWEZNQCLSA-N -1 3 363.841 3.390 20 0 FGADHM COc1cc(OCCN(C)C)ccc1NC(=O)c1cc(Cl)ccc1[O-] ZINC000413954614 500106224 /nfs/dbraw/zinc/10/62/24/500106224.db2.gz KSWWCTMOQOGYGU-UHFFFAOYSA-N -1 3 364.829 3.247 20 0 FGADHM CC(C)(C)n1cc(CN[C@@H](CSCCc2ccccc2)C(=O)[O-])cn1 ZINC000417557106 500107908 /nfs/dbraw/zinc/10/79/08/500107908.db2.gz AQTRCFGDOUEHTR-KRWDZBQOSA-N -1 3 361.511 3.157 20 0 FGADHM O=C([O-])[C@@H](Cc1cc(Cl)cc(Cl)c1)NCc1cnc(C2CC2)nc1 ZINC000417559238 500108522 /nfs/dbraw/zinc/10/85/22/500108522.db2.gz HQQNDXMXCUIELR-OAHLLOKOSA-N -1 3 366.248 3.446 20 0 FGADHM COc1ccc2c(c1)CCC[C@]2(NCc1cnc(C(C)(C)C)nc1)C(=O)[O-] ZINC000417561091 500109794 /nfs/dbraw/zinc/10/97/94/500109794.db2.gz ALSQLVNELCFQTJ-OAQYLSRUSA-N -1 3 369.465 3.189 20 0 FGADHM COC(=O)c1cc(CN[C@]2(C(=O)[O-])C[C@@H](C(C)C)c3ccccc32)c[nH]1 ZINC000417562188 500110691 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COC[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)c1ccc(F)cc1 ZINC000436164340 501082473 /nfs/dbraw/zinc/08/24/73/501082473.db2.gz JVSWTSCBVWHMAV-CYBMUJFWSA-N -1 3 361.797 3.284 20 0 FGADHM CCOC(=O)c1ccsc1[N-]C(=O)C(=O)N1CCCC[C@@H]1[C@H](C)CC ZINC000441099943 501088003 /nfs/dbraw/zinc/08/80/03/501088003.db2.gz WFLFTCBLOFGOTP-TZMCWYRMSA-N -1 3 366.483 3.291 20 0 FGADHM C[C@H]1CCCN1C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000436202100 501088929 /nfs/dbraw/zinc/08/89/29/501088929.db2.gz JVMMZCLFYGGVCN-ZDUSSCGKSA-N -1 3 362.426 3.251 20 0 FGADHM CCOC(=O)c1csc(=NC[C@H]2CCCN(C)[C@@H]2c2cccs2)[n-]1 ZINC000450349275 501097250 /nfs/dbraw/zinc/09/72/50/501097250.db2.gz NWMCLLBLFFRBGL-DOMZBBRYSA-N -1 3 365.524 3.298 20 0 FGADHM Cc1cc(C(=O)[N-]c2sc3c(c2C(=O)c2ccncc2)CCC3)no1 ZINC000582461667 506235212 /nfs/dbraw/zinc/23/52/12/506235212.db2.gz WBAXLVDBFUDMNE-UHFFFAOYSA-N -1 3 353.403 3.412 20 0 FGADHM Cc1ccc(C(=O)N[C@H](c2nc(-c3ccncc3)no2)C(C)C)c([O-])c1 ZINC000436510379 501144112 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FGADHM C[C@H](CCN1CCOCC1)NC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436553006 501155167 /nfs/dbraw/zinc/15/51/67/501155167.db2.gz FJNJNFPCQTXJCT-MRXNPFEDSA-N -1 3 370.449 3.025 20 0 FGADHM CCOC(=O)[C@H](Cc1ccccc1)N(C)C(=O)c1cc(CC)ccc1[O-] ZINC000436553077 501155274 /nfs/dbraw/zinc/15/52/74/501155274.db2.gz GESALQXPNSSKKA-SFHVURJKSA-N -1 3 355.434 3.201 20 0 FGADHM Cc1ccc([O-])c(C(=O)NCc2ccccc2CN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000436562306 501157620 /nfs/dbraw/zinc/15/76/20/501157620.db2.gz ADZGOTOVRNNUPP-CALCHBBNSA-N -1 3 368.477 3.240 20 0 FGADHM Cc1ccc([O-])c(C(=O)N2CSC[C@H]2C(=O)N[C@@H](C)CCC(C)C)c1 ZINC000436565200 501158218 /nfs/dbraw/zinc/15/82/18/501158218.db2.gz SQEKKMZGTSGRCQ-HOCLYGCPSA-N -1 3 364.511 3.157 20 0 FGADHM CO[C@H]1COCC[C@H]1CC(=O)Nc1cc(Cc2ccccc2)ccc1[O-] ZINC000450031919 501159090 /nfs/dbraw/zinc/15/90/90/501159090.db2.gz JSZIPFVYYDSTAY-PXNSSMCTSA-N -1 3 355.434 3.363 20 0 FGADHM COc1ccc(C(=O)NCc2ccccc2-n2nc(C)cc2C)c([O-])c1 ZINC000436580075 501162254 /nfs/dbraw/zinc/16/22/54/501162254.db2.gz DZRIYOPJLUNCML-UHFFFAOYSA-N -1 3 351.406 3.133 20 0 FGADHM Cc1c2cccc(C)c2oc1C(=O)NCCCNC(=O)c1cccc([O-])c1 ZINC000588218281 506237666 /nfs/dbraw/zinc/23/76/66/506237666.db2.gz XMEGCEIEZRLRQT-UHFFFAOYSA-N -1 3 366.417 3.305 20 0 FGADHM COc1ccc(C(=O)NCc2ccc(C)cc2OC[C@H]2CCCO2)c([O-])c1 ZINC000436585284 501163146 /nfs/dbraw/zinc/16/31/46/501163146.db2.gz JMRZHYLVRIGJPN-QGZVFWFLSA-N -1 3 371.433 3.197 20 0 FGADHM O=C(NCCCO[C@@H]1CCOC1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436588834 501164206 /nfs/dbraw/zinc/16/42/06/501164206.db2.gz OEIAHKNGEBLORT-QGZVFWFLSA-N -1 3 357.406 3.110 20 0 FGADHM CC1(C)Cc2ccc(C(=O)N3CCN(C4CCCCC4)CC3)c([O-])c2O1 ZINC000436600119 501166894 /nfs/dbraw/zinc/16/68/94/501166894.db2.gz ZZFOFARHGNUHSD-UHFFFAOYSA-N -1 3 358.482 3.196 20 0 FGADHM CC1(C)Cc2ccc(C(=O)N[C@H](CCCO)c3ccccc3)c([O-])c2O1 ZINC000436599832 501166931 /nfs/dbraw/zinc/16/69/31/501166931.db2.gz ZDJVRHBYPHIKCD-QGZVFWFLSA-N -1 3 355.434 3.349 20 0 FGADHM Cc1ccc(C(=O)NC[C@@H](CO)Cc2ccc(C(F)(F)F)cc2)c([O-])c1 ZINC000436600871 501167177 /nfs/dbraw/zinc/16/71/77/501167177.db2.gz GOKCCRUFUXOCRO-AWEZNQCLSA-N -1 3 367.367 3.300 20 0 FGADHM CCOC(=O)c1nc(C2CCN(Cc3cc(F)cc(Cl)c3)CC2)n[n-]1 ZINC000446830715 501169904 /nfs/dbraw/zinc/16/99/04/501169904.db2.gz WFRNORHENMEYPP-UHFFFAOYSA-N -1 3 366.824 3.154 20 0 FGADHM CCOC(=O)c1nnc(C2CCN(Cc3cc(F)cc(Cl)c3)CC2)[n-]1 ZINC000446830715 501169909 /nfs/dbraw/zinc/16/99/09/501169909.db2.gz WFRNORHENMEYPP-UHFFFAOYSA-N -1 3 366.824 3.154 20 0 FGADHM O=C(CN1CCCCCC1)Nc1cccc(NC(=O)c2ccccc2[O-])c1 ZINC000436623298 501171699 /nfs/dbraw/zinc/17/16/99/501171699.db2.gz HZXJBQIVBLDXFU-UHFFFAOYSA-N -1 3 367.449 3.459 20 0 FGADHM Cc1noc([C@H](C)NC(=O)c2cc(CCc3ccccc3)ccc2[O-])n1 ZINC000436623541 501172355 /nfs/dbraw/zinc/17/23/55/501172355.db2.gz IJUPELSXPMZUHN-ZDUSSCGKSA-N -1 3 351.406 3.360 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)Nc2ccc(C)c3ncccc23)c([O-])c1 ZINC000436627112 501172801 /nfs/dbraw/zinc/17/28/01/501172801.db2.gz NGCGPMXCJUXJOU-UHFFFAOYSA-N -1 3 363.417 3.316 20 0 FGADHM CC(C)c1ccc(C(=O)NCC(=O)Nc2cccc3cccnc32)c([O-])c1 ZINC000436625459 501173161 /nfs/dbraw/zinc/17/31/61/501173161.db2.gz MIMYNWMDTIVGOX-UHFFFAOYSA-N -1 3 363.417 3.432 20 0 FGADHM C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436632051 501173980 /nfs/dbraw/zinc/17/39/80/501173980.db2.gz BQQZICPJCJXIIM-QAPCUYQASA-N -1 3 373.497 3.074 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)NC2(c3cccc(Cl)c3)CC2)c([O-])c1 ZINC000436634614 501174897 /nfs/dbraw/zinc/17/48/97/501174897.db2.gz QAMVKOJJWYRNTM-UHFFFAOYSA-N -1 3 372.852 3.279 20 0 FGADHM Cc1c2ccccc2oc1CNC(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC000436638234 501175534 /nfs/dbraw/zinc/17/55/34/501175534.db2.gz FPSKLKQCJAWEGZ-UHFFFAOYSA-N -1 3 366.417 3.192 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N[C@@H](C)[C@H](C)c2ccccc2)c([O-])c1 ZINC000436640018 501176712 /nfs/dbraw/zinc/17/67/12/501176712.db2.gz SPTTUAAGFMPTFV-HOTGVXAUSA-N -1 3 354.450 3.129 20 0 FGADHM C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)c1c([O-])cccc1O ZINC000436648376 501177800 /nfs/dbraw/zinc/17/78/00/501177800.db2.gz PZWFWEACQDVNNS-VIFPVBQESA-N -1 3 368.202 3.360 20 0 FGADHM C[C@H]1CCc2c(C(=O)NCCCNC(=O)c3cccc([O-])c3)csc2C1 ZINC000588218921 506238702 /nfs/dbraw/zinc/23/87/02/506238702.db2.gz TXIKQLPNQAQJPS-ZDUSSCGKSA-N -1 3 372.490 3.128 20 0 FGADHM CC(=O)c1ccc(C(=O)NCCc2nc3ccccc3n2C(C)C)cc1[O-] ZINC000436650875 501178798 /nfs/dbraw/zinc/17/87/98/501178798.db2.gz YCIQECJPQUEJRS-UHFFFAOYSA-N -1 3 365.433 3.498 20 0 FGADHM O=C(NCC1(c2cccc(Br)c2)CC1)c1c([O-])cccc1O ZINC000436650494 501178971 /nfs/dbraw/zinc/17/89/71/501178971.db2.gz WHNHQXSGOTTXQA-UHFFFAOYSA-N -1 3 362.223 3.322 20 0 FGADHM Cc1c(Cl)cccc1N1CCCN(C(=O)c2ccc(O)cc2[O-])CC1 ZINC000436652080 501179812 /nfs/dbraw/zinc/17/98/12/501179812.db2.gz ZWGPJVJWJRVUMY-UHFFFAOYSA-N -1 3 360.841 3.412 20 0 FGADHM CN(C)CCOc1cccc(CNC(=O)c2ccc3ccccc3c2[O-])c1 ZINC000436657899 501180262 /nfs/dbraw/zinc/18/02/62/501180262.db2.gz SCXAVZBJVUYGNT-UHFFFAOYSA-N -1 3 364.445 3.416 20 0 FGADHM O=C(NCCN1CCc2sccc2C1)c1cc2ccccc2cc1[O-] ZINC000436662464 501181183 /nfs/dbraw/zinc/18/11/83/501181183.db2.gz CYOXXPSGNADOAV-UHFFFAOYSA-N -1 3 352.459 3.395 20 0 FGADHM CCO[C@@H]1C[C@H](NC(=O)c2cc(OC)c([O-])c(OC)c2)C1(CC)CC ZINC000436661337 501181683 /nfs/dbraw/zinc/18/16/83/501181683.db2.gz FGLPSXYWDWBISB-JKSUJKDBSA-N -1 3 351.443 3.123 20 0 FGADHM CSCCc1ccc(NC(=O)CCNC(=O)c2ccc(C)cc2[O-])cc1 ZINC000436667819 501183181 /nfs/dbraw/zinc/18/31/81/501183181.db2.gz VXUJLUYHGMQYJB-UHFFFAOYSA-N -1 3 372.490 3.365 20 0 FGADHM COc1ccc([C@@H](CN(C)C)NC(=O)c2cc(F)cc(Cl)c2[O-])cc1 ZINC000436670401 501184283 /nfs/dbraw/zinc/18/42/83/501184283.db2.gz FLDFCVPYVCVJAR-MRXNPFEDSA-N -1 3 366.820 3.226 20 0 FGADHM C[C@H]1CCCC[C@H]1CCNC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436670456 501184457 /nfs/dbraw/zinc/18/44/57/501184457.db2.gz FZHMYTZZQPTRPZ-IRXDYDNUSA-N -1 3 373.497 3.076 20 0 FGADHM CN(C)CCOc1ccc(CNC(=O)c2ccc3ccccc3c2[O-])cc1 ZINC000436674252 501184831 /nfs/dbraw/zinc/18/48/31/501184831.db2.gz RCJAUDMITJDQOG-UHFFFAOYSA-N -1 3 364.445 3.416 20 0 FGADHM CC(C)c1cccc(S(=O)(=O)[N-][C@H](c2cnn(C)c2)C(F)(F)F)c1 ZINC000446945406 501185224 /nfs/dbraw/zinc/18/52/24/501185224.db2.gz FLQYSIWVMVSMML-CQSZACIVSA-N -1 3 361.389 3.125 20 0 FGADHM CC(C)(C)C1CCC(CC(=O)NCCNC(=O)c2ccc([O-])cc2)CC1 ZINC000436678769 501185950 /nfs/dbraw/zinc/18/59/50/501185950.db2.gz CXSWYKWJFHBCNP-UHFFFAOYSA-N -1 3 360.498 3.481 20 0 FGADHM CCSc1ccccc1C(=O)NCCCNC(=O)c1cccc([O-])c1 ZINC000588218573 506239376 /nfs/dbraw/zinc/23/93/76/506239376.db2.gz TXGPMAIQHNCNDV-UHFFFAOYSA-N -1 3 358.463 3.054 20 0 FGADHM CC1(C)Cc2ccc(C(=O)N3CCN(CC4CCCCC4)CC3)c([O-])c2O1 ZINC000436683912 501187574 /nfs/dbraw/zinc/18/75/74/501187574.db2.gz WKHSVWQHHJYKIG-UHFFFAOYSA-N -1 3 372.509 3.444 20 0 FGADHM O=C(N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1ccccc1[O-] ZINC000436683793 501188007 /nfs/dbraw/zinc/18/80/07/501188007.db2.gz VUYNTJPREZIYGS-HNNXBMFYSA-N -1 3 364.367 3.415 20 0 FGADHM Cc1ccc(-c2nnc(NC(=O)c3sc([C@@H]4CCCOC4)nc3C)[n-]2)o1 ZINC000450144491 501192957 /nfs/dbraw/zinc/19/29/57/501192957.db2.gz ZUVSMKRIELOPPX-LLVKDONJSA-N -1 3 373.438 3.284 20 0 FGADHM Cc1ccc(-c2n[n-]c(NC(=O)c3sc([C@@H]4CCCOC4)nc3C)n2)o1 ZINC000450144491 501192961 /nfs/dbraw/zinc/19/29/61/501192961.db2.gz ZUVSMKRIELOPPX-LLVKDONJSA-N -1 3 373.438 3.284 20 0 FGADHM Cc1ccc(-c2nc(NC(=O)c3sc([C@@H]4CCCOC4)nc3C)n[n-]2)o1 ZINC000450144491 501192965 /nfs/dbraw/zinc/19/29/65/501192965.db2.gz ZUVSMKRIELOPPX-LLVKDONJSA-N -1 3 373.438 3.284 20 0 FGADHM CC(C)[C@H]1CCC[C@H](NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)C1 ZINC000436708920 501193279 /nfs/dbraw/zinc/19/32/79/501193279.db2.gz ZFMUYELMFPHWTL-ROUUACIJSA-N -1 3 373.497 3.074 20 0 FGADHM CN1CCC(Oc2ccc(CNC(=O)c3ccc(Cl)cc3[O-])cc2)CC1 ZINC000436719547 501196166 /nfs/dbraw/zinc/19/61/66/501196166.db2.gz HQFWOCKYGMLZLM-UHFFFAOYSA-N -1 3 374.868 3.449 20 0 FGADHM CCOc1cccc(CNC(=O)c2cccc(OC)c2[O-])c1OC(F)F ZINC000436717817 501196306 /nfs/dbraw/zinc/19/63/06/501196306.db2.gz XTVMTIMQWTXTLU-UHFFFAOYSA-N -1 3 367.348 3.331 20 0 FGADHM C[C@H](NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F)c1cccc(F)c1 ZINC000442098907 501196798 /nfs/dbraw/zinc/19/67/98/501196798.db2.gz RBBUIPZNSMBVQD-NSHDSACASA-N -1 3 374.840 3.247 20 0 FGADHM Cc1ccc(C(=O)N2CCC3(C[C@H]3C(=O)N3CCCCC3)CC2)c([O-])c1C ZINC000436725830 501197819 /nfs/dbraw/zinc/19/78/19/501197819.db2.gz VHYPPDSIZRTFCE-SFHVURJKSA-N -1 3 370.493 3.264 20 0 FGADHM CC[C@@H](C)c1nc([C@@H](C)NC(=O)c2cc(Br)ccc2[O-])n[nH]1 ZINC000436728916 501198654 /nfs/dbraw/zinc/19/86/54/501198654.db2.gz DIXIILRWODCBLP-RKDXNWHRSA-N -1 3 367.247 3.277 20 0 FGADHM CC[C@@H](CNC(=O)c1cc(NC(C)=O)ccc1[O-])Oc1cccc(C)c1 ZINC000436728569 501198664 /nfs/dbraw/zinc/19/86/64/501198664.db2.gz BFTGMJZBNBVIIL-INIZCTEOSA-N -1 3 356.422 3.246 20 0 FGADHM COCCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(C)cc1[O-] ZINC000436733515 501199590 /nfs/dbraw/zinc/19/95/90/501199590.db2.gz WDJPMCRWAGIYRQ-UHFFFAOYSA-N -1 3 367.405 3.164 20 0 FGADHM COc1ccc2nc(NC(=O)c3cc(OC)c([O-])c(OC)c3)sc2c1 ZINC000436733112 501199988 /nfs/dbraw/zinc/19/99/88/501199988.db2.gz FXCYOIGURITDSY-UHFFFAOYSA-N -1 3 360.391 3.280 20 0 FGADHM CN(C)C[C@@H](NC(=O)c1cc(F)c([O-])c(Cl)c1)c1ccc(F)cc1 ZINC000436733696 501200041 /nfs/dbraw/zinc/20/00/41/501200041.db2.gz IOZRGMKCHHWBOX-OAHLLOKOSA-N -1 3 354.784 3.357 20 0 FGADHM CCc1ccc(C(=O)N[C@H](C)c2ccc(S(=O)(=O)CC)cc2)c([O-])c1 ZINC000436737814 501200964 /nfs/dbraw/zinc/20/09/64/501200964.db2.gz RLGFBVNKZUILPB-CYBMUJFWSA-N -1 3 361.463 3.239 20 0 FGADHM COc1ccccc1CN(C(=O)c1cc(OC)c([O-])c(OC)c1)C1CC1 ZINC000436748065 501203070 /nfs/dbraw/zinc/20/30/70/501203070.db2.gz DGHSFIYWASXTTP-UHFFFAOYSA-N -1 3 357.406 3.223 20 0 FGADHM CCCCN(C)CCNC(=O)c1cc(Br)cc(Cl)c1[O-] ZINC000436768004 501207578 /nfs/dbraw/zinc/20/75/78/501207578.db2.gz HWHXNUIUUFKBPO-UHFFFAOYSA-N -1 3 363.683 3.270 20 0 FGADHM O=C(c1cccc2ccsc21)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436769113 501208539 /nfs/dbraw/zinc/20/85/39/501208539.db2.gz JKRWQWMRHNQYQG-UHFFFAOYSA-N -1 3 366.442 3.205 20 0 FGADHM C[C@H]1C[C@@H](NC(=O)c2cc(Br)cc(Cl)c2[O-])CCN1C ZINC000436773221 501209220 /nfs/dbraw/zinc/20/92/20/501209220.db2.gz QFUPTXCRJYGJCG-WPRPVWTQSA-N -1 3 361.667 3.021 20 0 FGADHM CCN(CC)S(=O)(=O)c1ccc(-c2nc(-c3ccc([O-])cc3)no2)cc1 ZINC000436778226 501210017 /nfs/dbraw/zinc/21/00/17/501210017.db2.gz QZDWJZTZUOFMPV-UHFFFAOYSA-N -1 3 373.434 3.140 20 0 FGADHM C[C@H]1C[C@@H](CO)CCN1C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436777693 501210468 /nfs/dbraw/zinc/21/04/68/501210468.db2.gz DCDFPVRHCQAUJQ-LPHOPBHVSA-N -1 3 353.462 3.410 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCc3c(F)cc(F)cc3[C@@H]2C)c1 ZINC000436787671 501211483 /nfs/dbraw/zinc/21/14/83/501211483.db2.gz PRFSUKUZTJIZOY-JTQLQIEISA-N -1 3 360.360 3.388 20 0 FGADHM COC(=O)c1csc(S(=O)(=O)[N-][C@H](C)c2ccc(C)c(F)c2)c1 ZINC000447172608 501211881 /nfs/dbraw/zinc/21/18/81/501211881.db2.gz TWFNRTAFUCMFPP-SNVBAGLBSA-N -1 3 357.428 3.022 20 0 FGADHM COc1ccc(C(=O)NC[C@H](c2ccc(SC)cc2)N(C)C)c([O-])c1 ZINC000436800277 501213015 /nfs/dbraw/zinc/21/30/15/501213015.db2.gz JKVKEAWJPRKIAT-QGZVFWFLSA-N -1 3 360.479 3.155 20 0 FGADHM CCc1ccc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C)cc2)c([O-])c1 ZINC000436817770 501216094 /nfs/dbraw/zinc/21/60/94/501216094.db2.gz CHPFQDTZPJJDIF-QGZVFWFLSA-N -1 3 370.474 3.417 20 0 FGADHM COc1cccc(C(=O)NCc2cc(F)ccc2Br)c1[O-] ZINC000436823309 501216983 /nfs/dbraw/zinc/21/69/83/501216983.db2.gz UDXPCNLPDCAMPH-UHFFFAOYSA-N -1 3 354.175 3.232 20 0 FGADHM COCCNc1ccc(CNC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)cc1 ZINC000436857579 501222384 /nfs/dbraw/zinc/22/23/84/501222384.db2.gz BAVNUTTVUGKWBT-UHFFFAOYSA-N -1 3 370.449 3.094 20 0 FGADHM CCc1ccc(C(=O)N[C@@H](CO)c2ccc(Br)cc2)c([O-])c1 ZINC000436861776 501222823 /nfs/dbraw/zinc/22/28/23/501222823.db2.gz VKUSEUTVINYDMO-HNNXBMFYSA-N -1 3 364.239 3.181 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)c3ccc(C)nc3C(C)C)[n-]c21 ZINC000450273614 501223702 /nfs/dbraw/zinc/22/37/02/501223702.db2.gz CQTOGNGLXIYKKN-UHFFFAOYSA-N -1 3 352.394 3.429 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccc(C)nc3C(C)C)nc21 ZINC000450273614 501223704 /nfs/dbraw/zinc/22/37/04/501223704.db2.gz CQTOGNGLXIYKKN-UHFFFAOYSA-N -1 3 352.394 3.429 20 0 FGADHM CCOc1cc(-c2noc(Cc3ccc(OCCOC)cc3)n2)ccc1[O-] ZINC000436875072 501225462 /nfs/dbraw/zinc/22/54/62/501225462.db2.gz WAILWOSVKJEMIM-UHFFFAOYSA-N -1 3 370.405 3.457 20 0 FGADHM CCCn1ccnc1CCCN(C)C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436876651 501225936 /nfs/dbraw/zinc/22/59/36/501225936.db2.gz JPPOOJYSKGNGLF-UHFFFAOYSA-N -1 3 371.481 3.417 20 0 FGADHM CCC[C@H](NC(=O)[C@H](C)N1CCC[C@H](c2n[n-]c(=O)o2)C1)c1ccccc1 ZINC000450898696 501226097 /nfs/dbraw/zinc/22/60/97/501226097.db2.gz BVOHFOZBZYSPJG-XIRDDKMYSA-N -1 3 372.469 3.001 20 0 FGADHM CCc1ccc(-c2nc(CC(=O)NCc3cccc(F)c3)no2)c([O-])c1 ZINC000436878738 501226125 /nfs/dbraw/zinc/22/61/25/501226125.db2.gz HMBOEGVCAWUQLB-UHFFFAOYSA-N -1 3 355.369 3.003 20 0 FGADHM COc1cccc(C(=O)N[C@H](C)c2nc(-c3ccc(F)c(C)c3)no2)c1[O-] ZINC000436886233 501227145 /nfs/dbraw/zinc/22/71/45/501227145.db2.gz RJEZITLOPUDYNJ-LLVKDONJSA-N -1 3 371.368 3.389 20 0 FGADHM O=C(N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)c1ccc(O)cc1[O-] ZINC000436889766 501228174 /nfs/dbraw/zinc/22/81/74/501228174.db2.gz ZLSOASLJPUBFKE-SNVBAGLBSA-N -1 3 367.232 3.413 20 0 FGADHM O=C(N[C@H](CO)c1ccccc1)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436895158 501229287 /nfs/dbraw/zinc/22/92/87/501229287.db2.gz UAHSLSWXPWIPEP-HXUWFJFHSA-N -1 3 363.413 3.435 20 0 FGADHM CC(C)C1CCC(NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)CC1 ZINC000436904495 501230259 /nfs/dbraw/zinc/23/02/59/501230259.db2.gz LHEMSMRYZLXRQN-UHFFFAOYSA-N -1 3 373.497 3.074 20 0 FGADHM Cc1cc(C)cc(CN(C)C(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])c1 ZINC000436903303 501230294 /nfs/dbraw/zinc/23/02/94/501230294.db2.gz SUQLPPSPHDIRNV-IBGZPJMESA-N -1 3 366.461 3.272 20 0 FGADHM CC[C@@H](C[C@H](C)CO)NC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436906556 501230622 /nfs/dbraw/zinc/23/06/22/501230622.db2.gz QOBGRGMNYCLIPI-RDJZCZTQSA-N -1 3 357.450 3.498 20 0 FGADHM Cc1noc(C2CN(C(=O)c3cc(CCc4ccccc4)ccc3[O-])C2)n1 ZINC000436906662 501230639 /nfs/dbraw/zinc/23/06/39/501230639.db2.gz WKCVGGAVHLJWFT-UHFFFAOYSA-N -1 3 363.417 3.108 20 0 FGADHM CCc1nnc([C@@H](C)NC(=O)c2cc(OCc3ccccc3)ccc2[O-])[nH]1 ZINC000436910226 501231430 /nfs/dbraw/zinc/23/14/30/501231430.db2.gz OZBVGEDAMSVUBB-CYBMUJFWSA-N -1 3 366.421 3.143 20 0 FGADHM O=C(Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1)c1cnc2ccccc2n1 ZINC000436921501 501233063 /nfs/dbraw/zinc/23/30/63/501233063.db2.gz VPPIBALKLYSNDI-UHFFFAOYSA-N -1 3 366.768 3.026 20 0 FGADHM CCOc1ccc(CN2CCN(C(=O)c3ccc([O-])c(C)c3)CC2)cc1 ZINC000436921428 501233404 /nfs/dbraw/zinc/23/34/04/501233404.db2.gz JYTAXEHZJSZATJ-UHFFFAOYSA-N -1 3 354.450 3.057 20 0 FGADHM COc1cc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])c(C)cc1C ZINC000436926253 501234024 /nfs/dbraw/zinc/23/40/24/501234024.db2.gz JBBNRAOKVMCGOL-KRWDZBQOSA-N -1 3 368.433 3.261 20 0 FGADHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)C(C)C)cc2)c(C)c1 ZINC000451004008 501238321 /nfs/dbraw/zinc/23/83/21/501238321.db2.gz VSNSBHINXPUGRS-UHFFFAOYSA-N -1 3 362.451 3.399 20 0 FGADHM COC(=O)c1ncc([N-]S(=O)(=O)Cc2c(C)cccc2C)cc1Cl ZINC000451025452 501240104 /nfs/dbraw/zinc/24/01/04/501240104.db2.gz JTSAJJRXTFMPAJ-UHFFFAOYSA-N -1 3 368.842 3.080 20 0 FGADHM CCOc1ccc(S(=O)(=O)[N-][C@@H](CC)C(F)F)cc1Br ZINC000451086515 501244451 /nfs/dbraw/zinc/24/44/51/501244451.db2.gz VORASAUTIUOSBG-JTQLQIEISA-N -1 3 372.231 3.170 20 0 FGADHM C[C@H](COCC(F)(F)F)[N-]S(=O)(=O)c1ccc2ccccc2c1F ZINC000451132319 501247358 /nfs/dbraw/zinc/24/73/58/501247358.db2.gz VXWPGCNRTZABNO-SNVBAGLBSA-N -1 3 365.348 3.225 20 0 FGADHM O=C(Cc1ccc([O-])c(F)c1)N1CCC[C@@H](c2nc(C(F)(F)F)c[nH]2)C1 ZINC000451220545 501253218 /nfs/dbraw/zinc/25/32/18/501253218.db2.gz RRVHPIGBROGLQF-LLVKDONJSA-N -1 3 371.334 3.222 20 0 FGADHM C[C@H](C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)C1CCC1 ZINC000457580596 501262543 /nfs/dbraw/zinc/26/25/43/501262543.db2.gz PZZOUHCQCXZXHT-NSHDSACASA-N -1 3 356.463 3.277 20 0 FGADHM COC(=O)c1ncccc1S(=O)(=O)[N-][C@@H](CC1CCC1)c1ccccc1 ZINC000451380327 501279904 /nfs/dbraw/zinc/27/99/04/501279904.db2.gz XEMRFGLTXCDVOJ-INIZCTEOSA-N -1 3 374.462 3.078 20 0 FGADHM CCCn1c(=O)[n-]c(=O)c2c(-c3nc(C4(C)CC4)no3)cc(C(C)C)nc21 ZINC000453314656 501313293 /nfs/dbraw/zinc/31/32/93/501313293.db2.gz FWVGFMVCIIFYMJ-UHFFFAOYSA-N -1 3 369.425 3.132 20 0 FGADHM COC1(C[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)CCCC1 ZINC000451605805 501335374 /nfs/dbraw/zinc/33/53/74/501335374.db2.gz HCBUYIQVQIYSKI-UHFFFAOYSA-N -1 3 355.353 3.082 20 0 FGADHM CC1(F)CC([N-]S(=O)(=O)c2cc(Br)ccc2Cl)C1 ZINC000451634774 501341017 /nfs/dbraw/zinc/34/10/17/501341017.db2.gz VSNFQPCLDPABTM-UHFFFAOYSA-N -1 3 356.644 3.271 20 0 FGADHM COc1cc(F)cc(C[C@@H](C)NC(=O)NCc2ccc([O-])c(F)c2)c1 ZINC000455604143 501344571 /nfs/dbraw/zinc/34/45/71/501344571.db2.gz KIDNULIBHSXCBN-LLVKDONJSA-N -1 3 350.365 3.109 20 0 FGADHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)c2ccccc2O1 ZINC000451709246 501357015 /nfs/dbraw/zinc/35/70/15/501357015.db2.gz KNCYCDAYSXMEMS-YMTOWFKASA-N -1 3 357.353 3.295 20 0 FGADHM CC(C)n1cnc(S(=O)(=O)[N-][C@H]2CCCC[C@H]2CC(F)(F)F)c1 ZINC000451743435 501364426 /nfs/dbraw/zinc/36/44/26/501364426.db2.gz CVKKJUMYMGYNHE-RYUDHWBXSA-N -1 3 353.410 3.254 20 0 FGADHM CC1(C)COC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000451962068 501408955 /nfs/dbraw/zinc/40/89/55/501408955.db2.gz FKHSOUDMROLMMS-LLVKDONJSA-N -1 3 357.781 3.062 20 0 FGADHM COc1ccc(N(CC2CC2)C(=O)c2ccc([N-]S(C)(=O)=O)cc2)cc1 ZINC000456184120 501470927 /nfs/dbraw/zinc/47/09/27/501470927.db2.gz WDWVPDXHBYFWGE-UHFFFAOYSA-N -1 3 374.462 3.124 20 0 FGADHM Cc1nc(-c2ccc(NC(=O)NC[C@@]3(O)CCCC3(C)C)cc2)cc(=O)[n-]1 ZINC000454254426 501493052 /nfs/dbraw/zinc/49/30/52/501493052.db2.gz LVTKKKHATYUWIJ-FQEVSTJZSA-N -1 3 370.453 3.220 20 0 FGADHM O=C(CCc1ccc2ccccc2c1[O-])N1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1 ZINC000456308852 501493753 /nfs/dbraw/zinc/49/37/53/501493753.db2.gz PDXXGVQNAJZHTC-QRVBRYPASA-N -1 3 353.462 3.488 20 0 FGADHM C[C@H](NC(=O)c1sccc1S(=O)(=O)[N-]C1CCCCCC1)C1CC1 ZINC000452559335 501523018 /nfs/dbraw/zinc/52/30/18/501523018.db2.gz XLIWNBRTTXEIKV-LBPRGKRZSA-N -1 3 370.540 3.278 20 0 FGADHM CO[C@H]1C[C@H](N(C)C(=O)Cc2ccc(Br)cc2[O-])C12CCC2 ZINC000456556007 501547345 /nfs/dbraw/zinc/54/73/45/501547345.db2.gz DXSPKYBETZMGIO-GJZGRUSLSA-N -1 3 368.271 3.113 20 0 FGADHM Cc1c(Br)ccc([O-])c1NC(=O)C[C@@H](C)N1CCCCC1=O ZINC000452744144 501554680 /nfs/dbraw/zinc/55/46/80/501554680.db2.gz BXHQOWQYNJYSJX-SNVBAGLBSA-N -1 3 369.259 3.193 20 0 FGADHM CO[C@H]1CCN(C(=O)c2ccc(C(=O)c3cccc([O-])c3)cc2)C[C@@H]1C ZINC000452850008 501573930 /nfs/dbraw/zinc/57/39/30/501573930.db2.gz VBSXOZYOTLFXCV-LIRRHRJNSA-N -1 3 353.418 3.120 20 0 FGADHM CC[C@@H]1[C@@H](CO)CCN1C(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000452964283 501593963 /nfs/dbraw/zinc/59/39/63/501593963.db2.gz UWGBOVAVBZUWBU-VQIMIIECSA-N -1 3 355.434 3.204 20 0 FGADHM O=C(NCCC[C@H]1CCOC1)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000456763330 501594521 /nfs/dbraw/zinc/59/45/21/501594521.db2.gz LUOOGMUOKMMLML-HNNXBMFYSA-N -1 3 353.418 3.170 20 0 FGADHM CC(=O)Nc1ccc(S(=O)(=O)[N-][C@H]2CCc3ccc(C)cc32)c(F)c1 ZINC000592822137 506263142 /nfs/dbraw/zinc/26/31/42/506263142.db2.gz VBVDAXBHVXUJTL-KRWDZBQOSA-N -1 3 362.426 3.058 20 0 FGADHM CCOc1cc(CN2CCC[C@H]2CCCO)cc(Br)c1[O-] ZINC000459324136 501630916 /nfs/dbraw/zinc/63/09/16/501630916.db2.gz JZOKNXDPKJLSTK-ZDUSSCGKSA-N -1 3 358.276 3.290 20 0 FGADHM Cn1nccc1[C@H]1CCCN(Cc2cccc([O-])c2Br)C1 ZINC000459331502 501632815 /nfs/dbraw/zinc/63/28/15/501632815.db2.gz UGMYHJKBTMTOKK-LBPRGKRZSA-N -1 3 350.260 3.268 20 0 FGADHM CCOc1cc(CN2CC[C@H]([C@@H]3CCOC3)C2)cc(Br)c1[O-] ZINC000459336534 501633745 /nfs/dbraw/zinc/63/37/45/501633745.db2.gz HZCQWROVZNZONL-UONOGXRCSA-N -1 3 370.287 3.412 20 0 FGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@]2(C)CC=CCC2)cc1OC ZINC000459349279 501636982 /nfs/dbraw/zinc/63/69/82/501636982.db2.gz IZRFYFUTGWNKIY-QGZVFWFLSA-N -1 3 367.471 3.077 20 0 FGADHM CCc1nccn1[C@H]1CCCN(Cc2cc(=O)[n-]c(-c3ccccc3)n2)C1 ZINC000459360724 501639031 /nfs/dbraw/zinc/63/90/31/501639031.db2.gz YQGSDXFLYLJUKU-SFHVURJKSA-N -1 3 363.465 3.445 20 0 FGADHM O=c1cc(CN2CCCC[C@H]2[C@H](O)C(F)(F)F)nc(-c2ccccc2)[n-]1 ZINC000459378314 501642459 /nfs/dbraw/zinc/64/24/59/501642459.db2.gz QQHMOSUSTUQNKZ-HOCLYGCPSA-N -1 3 367.371 3.127 20 0 FGADHM Cc1nn(C)c(C)c1C[C@H](C)NCc1cccc([O-])c1Br ZINC000459410200 501649007 /nfs/dbraw/zinc/64/90/07/501649007.db2.gz CAUKYCHULWTQPQ-JTQLQIEISA-N -1 3 352.276 3.226 20 0 FGADHM CCOc1cc(CN[C@@H](C)C(=O)N2CCCC[C@@H]2C)cc(Cl)c1[O-] ZINC000459421061 501651129 /nfs/dbraw/zinc/65/11/29/501651129.db2.gz YRONNDZJDXFISX-STQMWFEESA-N -1 3 354.878 3.323 20 0 FGADHM CCc1nn(C)c(CC)c1CNCc1cccc([O-])c1Br ZINC000459430666 501652446 /nfs/dbraw/zinc/65/24/46/501652446.db2.gz FCUATBXIPZDRDG-UHFFFAOYSA-N -1 3 352.276 3.303 20 0 FGADHM [O-]c1cccc(CN[C@H]2CCO[C@@]3(CCSC3)C2)c1Br ZINC000459456225 501657193 /nfs/dbraw/zinc/65/71/93/501657193.db2.gz ZIUXLPWUYCWKSY-WFASDCNBSA-N -1 3 358.301 3.299 20 0 FGADHM CN(C)CCN(Cc1ccccn1)Cc1cccc([O-])c1Br ZINC000459556526 501676078 /nfs/dbraw/zinc/67/60/78/501676078.db2.gz IPQGLDVUSWSSEN-UHFFFAOYSA-N -1 3 364.287 3.114 20 0 FGADHM CCOc1cc(CNC2(CF)CCOCC2)cc(Br)c1[O-] ZINC000459587593 501682305 /nfs/dbraw/zinc/68/23/05/501682305.db2.gz WMXVRIAYNKZKEX-UHFFFAOYSA-N -1 3 362.239 3.162 20 0 FGADHM CCc1cccc(N(C)Cc2nc(=O)c3c(C)c(C(=O)OC)sc3[n-]2)c1 ZINC000459599025 501684357 /nfs/dbraw/zinc/68/43/57/501684357.db2.gz XXWSRWYCWMBAMD-UHFFFAOYSA-N -1 3 371.462 3.278 20 0 FGADHM Cc1cc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)cc(C(=O)OC(C)(C)C)c1 ZINC000457483905 501707742 /nfs/dbraw/zinc/70/77/42/501707742.db2.gz MRKFZKQADRXKRP-UHFFFAOYSA-N -1 3 370.331 3.340 20 0 FGADHM Cc1cc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)cc(C(=O)OC(C)(C)C)c1 ZINC000457483905 501707744 /nfs/dbraw/zinc/70/77/44/501707744.db2.gz MRKFZKQADRXKRP-UHFFFAOYSA-N -1 3 370.331 3.340 20 0 FGADHM Cn1[n-]c(=NC(=O)N2CCC[C@H]2c2ccc(F)cc2F)cc1OC(F)F ZINC000455216223 501709363 /nfs/dbraw/zinc/70/93/63/501709363.db2.gz UUTXDCPYEFLWPW-LBPRGKRZSA-N -1 3 372.322 3.091 20 0 FGADHM CCOc1cc(C(=O)[N-]c2cc(C(F)(F)F)ccc2C(=O)OC)on1 ZINC000460003292 501724609 /nfs/dbraw/zinc/72/46/09/501724609.db2.gz HJAHYKRNEALWEV-UHFFFAOYSA-N -1 3 358.272 3.131 20 0 FGADHM CCc1[n-][nH]c(=NC(=O)N[C@H](c2cccc(F)c2F)C(F)(F)F)c1C ZINC000481291347 501735388 /nfs/dbraw/zinc/73/53/88/501735388.db2.gz XJPKFKVECNSSJM-GFCCVEGCSA-N -1 3 362.302 3.406 20 0 FGADHM CCc1cc(Br)ccc1NC(=O)c1ccc(C(=O)OC)[n-]1 ZINC000477617424 501739176 /nfs/dbraw/zinc/73/91/76/501739176.db2.gz RSRKNDHDWMGAQN-UHFFFAOYSA-N -1 3 351.200 3.379 20 0 FGADHM Cc1cc(CS(=O)(=O)[N-]C2(c3c(Cl)cccc3Cl)CC2)on1 ZINC000470604968 501740773 /nfs/dbraw/zinc/74/07/73/501740773.db2.gz CZBCIJFNXVILNJ-UHFFFAOYSA-N -1 3 361.250 3.399 20 0 FGADHM CCc1c(NC(=O)NCc2nnc(C(F)(F)F)[n-]2)cnn1C(CC)CC ZINC000485155086 501741587 /nfs/dbraw/zinc/74/15/87/501741587.db2.gz GXDZLTPMTSJZSI-UHFFFAOYSA-N -1 3 373.383 3.265 20 0 FGADHM CCc1c(NC(=O)NCc2n[n-]c(C(F)(F)F)n2)cnn1C(CC)CC ZINC000485155086 501741593 /nfs/dbraw/zinc/74/15/93/501741593.db2.gz GXDZLTPMTSJZSI-UHFFFAOYSA-N -1 3 373.383 3.265 20 0 FGADHM CCc1c(NC(=O)NCc2nc(C(F)(F)F)n[n-]2)cnn1C(CC)CC ZINC000485155086 501741598 /nfs/dbraw/zinc/74/15/98/501741598.db2.gz GXDZLTPMTSJZSI-UHFFFAOYSA-N -1 3 373.383 3.265 20 0 FGADHM CCNC(=O)N(C)c1cccc(NC(=O)c2c[n-]nc2-c2ccccc2)c1 ZINC000477627713 501742915 /nfs/dbraw/zinc/74/29/15/501742915.db2.gz TWBLCKHNAHZFOZ-UHFFFAOYSA-N -1 3 363.421 3.495 20 0 FGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)[C@H](C)c2ccccc2)s1 ZINC000474217331 501747591 /nfs/dbraw/zinc/74/75/91/501747591.db2.gz YAPYJUDRYUUYTI-RYUDHWBXSA-N -1 3 353.465 3.005 20 0 FGADHM CCCOc1ccc(CCC(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000463614515 501775806 /nfs/dbraw/zinc/77/58/06/501775806.db2.gz NVHGNMPGZMWXQZ-UHFFFAOYSA-N -1 3 351.410 3.227 20 0 FGADHM CCCOc1ccc(CCC(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000463614515 501775812 /nfs/dbraw/zinc/77/58/12/501775812.db2.gz NVHGNMPGZMWXQZ-UHFFFAOYSA-N -1 3 351.410 3.227 20 0 FGADHM CCN(CC(C)(C)C)C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000463638701 501781710 /nfs/dbraw/zinc/78/17/10/501781710.db2.gz JDBOMRLKKMKGIK-UHFFFAOYSA-N -1 3 371.478 3.166 20 0 FGADHM CCOC(=O)c1ccc(C[N-]S(=O)(=O)c2c(F)cccc2Cl)cc1 ZINC000463684224 501793280 /nfs/dbraw/zinc/79/32/80/501793280.db2.gz ONHLONOQXXRNFT-UHFFFAOYSA-N -1 3 371.817 3.134 20 0 FGADHM CCC(CC)c1n[n-]c(=NC(=O)N(CCN(C)C)C2CCCC2)s1 ZINC000467438981 501794551 /nfs/dbraw/zinc/79/45/51/501794551.db2.gz JNUSMBMERKCCCW-UHFFFAOYSA-N -1 3 353.536 3.202 20 0 FGADHM COC(=O)c1cc([N-]C(=O)c2cc3nccnc3cc2F)c(F)cc1F ZINC000470763751 501794938 /nfs/dbraw/zinc/79/49/38/501794938.db2.gz FUUKFJGDLYPMIY-UHFFFAOYSA-N -1 3 361.279 3.086 20 0 FGADHM CCN(CC)[C@H](C[N-]S(=O)(=O)c1nc(C)c(C)s1)c1ccsc1 ZINC000470765071 501795363 /nfs/dbraw/zinc/79/53/63/501795363.db2.gz LSCDZHIVDIFXGQ-CQSZACIVSA-N -1 3 373.569 3.183 20 0 FGADHM CCOC(=O)[C@H](C)N(C)Cc1nc(=O)c2cc(-c3ccccc3)sc2[n-]1 ZINC000467499077 501809314 /nfs/dbraw/zinc/80/93/14/501809314.db2.gz ACWIRWKQXMGXRT-LBPRGKRZSA-N -1 3 371.462 3.447 20 0 FGADHM COCc1nc(S[C@@H](C)c2nc3sc(C)c(C)c3c(N)n2)n[n-]1 ZINC000474401770 501823194 /nfs/dbraw/zinc/82/31/94/501823194.db2.gz HGVLOVFTQLBEHZ-QMMMGPOBSA-N -1 3 350.473 3.008 20 0 FGADHM CCc1c([N-]C(=O)c2ncn(-c3ccccc3)n2)onc1C(F)(F)F ZINC000485492572 501837483 /nfs/dbraw/zinc/83/74/83/501837483.db2.gz PNVLZCLAMBMGKW-UHFFFAOYSA-N -1 3 351.288 3.089 20 0 FGADHM COc1ccc2c(c1)CCC[C@@H]2C[N-]S(=O)(=O)c1sc(C)nc1C ZINC000463868615 501842608 /nfs/dbraw/zinc/84/26/08/501842608.db2.gz GQZLGRRILNXZGF-CQSZACIVSA-N -1 3 366.508 3.167 20 0 FGADHM O=C(C[C@@H]1OCCc2ccccc21)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1 ZINC000467710989 501850568 /nfs/dbraw/zinc/85/05/68/501850568.db2.gz PLUVALBOPQSTPB-SFHVURJKSA-N -1 3 369.371 3.419 20 0 FGADHM COCCOc1cccc(C(=O)N=c2cc(-c3cc(F)cc(F)c3)[n-][nH]2)c1 ZINC000467712539 501850884 /nfs/dbraw/zinc/85/08/84/501850884.db2.gz HVNBDURHMGMUDU-UHFFFAOYSA-N -1 3 373.359 3.054 20 0 FGADHM O=C(N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1)c1ccn(-c2ccccc2)n1 ZINC000467719011 501853237 /nfs/dbraw/zinc/85/32/37/501853237.db2.gz WKXQHHBGJXYYHP-UHFFFAOYSA-N -1 3 365.343 3.215 20 0 FGADHM CCC[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)OC)o1)c1ccc(F)cc1F ZINC000467756944 501861945 /nfs/dbraw/zinc/86/19/45/501861945.db2.gz IZOHXVAQKCYKRM-CYBMUJFWSA-N -1 3 373.377 3.164 20 0 FGADHM CC(C)c1nnc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)s1 ZINC000467766807 501865113 /nfs/dbraw/zinc/86/51/13/501865113.db2.gz UVOMYBKVUMIYOE-UHFFFAOYSA-N -1 3 365.402 3.159 20 0 FGADHM CCO[C@H](C)c1nc(CN(C)C(=O)c2cc(=O)c3ccccc3[n-]2)cs1 ZINC000463969812 501866693 /nfs/dbraw/zinc/86/66/93/501866693.db2.gz FPADGHQVLCYZEZ-GFCCVEGCSA-N -1 3 371.462 3.354 20 0 FGADHM CCOC(=O)c1sc([N-]C(=O)c2c(F)c(F)cc(F)c2F)nc1C ZINC000481759983 501875797 /nfs/dbraw/zinc/87/57/97/501875797.db2.gz IVWGNMJCXDUFHY-UHFFFAOYSA-N -1 3 362.304 3.437 20 0 FGADHM COC(=O)c1cc(F)cc([N-]C(=O)c2cc(NC(C)=O)ccc2F)c1F ZINC000478099195 501880749 /nfs/dbraw/zinc/88/07/49/501880749.db2.gz ZNNUERPOPMSHKK-UHFFFAOYSA-N -1 3 366.295 3.101 20 0 FGADHM CN(Cc1ccccc1)[C@@H](CNC(=O)CC1(CC(=O)[O-])CCCC1)C1CC1 ZINC000478163268 501897704 /nfs/dbraw/zinc/89/77/04/501897704.db2.gz MRBBAIUGQFAAHY-IBGZPJMESA-N -1 3 372.509 3.438 20 0 FGADHM O=S(=O)(Cc1c(F)cccc1F)[N-]c1c2c(ccc1Cl)OCC2 ZINC000481861014 501901678 /nfs/dbraw/zinc/90/16/78/501901678.db2.gz CRJQSLLNMDGMMP-UHFFFAOYSA-N -1 3 359.781 3.495 20 0 FGADHM CN(C)Cc1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2)cc1Cl ZINC000481873876 501905535 /nfs/dbraw/zinc/90/55/35/501905535.db2.gz ZPZFICLQTOWTMX-UHFFFAOYSA-N -1 3 360.813 3.481 20 0 FGADHM Cc1nc(-c2ccccc2)c(C(=O)NCc2nnc(C(F)(F)F)[n-]2)s1 ZINC000481901219 501913147 /nfs/dbraw/zinc/91/31/47/501913147.db2.gz DJIFITAHMNASIH-UHFFFAOYSA-N -1 3 367.356 3.185 20 0 FGADHM Cc1nc(-c2ccccc2)c(C(=O)NCc2n[n-]c(C(F)(F)F)n2)s1 ZINC000481901219 501913152 /nfs/dbraw/zinc/91/31/52/501913152.db2.gz DJIFITAHMNASIH-UHFFFAOYSA-N -1 3 367.356 3.185 20 0 FGADHM Cc1nc(-c2ccccc2)c(C(=O)NCc2nc(C(F)(F)F)n[n-]2)s1 ZINC000481901219 501913155 /nfs/dbraw/zinc/91/31/55/501913155.db2.gz DJIFITAHMNASIH-UHFFFAOYSA-N -1 3 367.356 3.185 20 0 FGADHM Cn1ncc2c1ncc(C(=O)N1CCC(c3cccc(Cl)c3)CC1)c2[O-] ZINC000478225502 501914169 /nfs/dbraw/zinc/91/41/69/501914169.db2.gz AJFVFZQCVRILGD-UHFFFAOYSA-N -1 3 370.840 3.347 20 0 FGADHM COc1ccccc1C(=O)C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000464200349 501920100 /nfs/dbraw/zinc/92/01/00/501920100.db2.gz RKPQJRXIYAUVCJ-UHFFFAOYSA-N -1 3 374.245 3.163 20 0 FGADHM O=C([N-]c1nc(CN2CCCCC2)cs1)c1cc(-c2ccccn2)no1 ZINC000467986587 501922038 /nfs/dbraw/zinc/92/20/38/501922038.db2.gz XHCDMTSZXCFJGB-UHFFFAOYSA-N -1 3 369.450 3.431 20 0 FGADHM CCOc1cc(CNCc2cc(C)c(C(=O)OC)o2)cc(Cl)c1[O-] ZINC000602743114 506282089 /nfs/dbraw/zinc/28/20/89/506282089.db2.gz HZOYJSKLUDBZCI-UHFFFAOYSA-N -1 3 353.802 3.422 20 0 FGADHM CN(Cc1nccn1Cc1ccccc1)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000464278578 501941391 /nfs/dbraw/zinc/94/13/91/501941391.db2.gz IUPYDVFBVLVLPB-UHFFFAOYSA-N -1 3 372.428 3.045 20 0 FGADHM CN(C)c1ccc(NC(=O)NCc2ncccc2[O-])c(C(F)(F)F)c1 ZINC000471172272 501946050 /nfs/dbraw/zinc/94/60/50/501946050.db2.gz GYDCZQFQTUMOMR-UHFFFAOYSA-N -1 3 354.332 3.194 20 0 FGADHM CCSCC[C@H](C)NC(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482041304 501955207 /nfs/dbraw/zinc/95/52/07/501955207.db2.gz AFIAEYGIXDECOC-JTQLQIEISA-N -1 3 371.304 3.172 20 0 FGADHM CCc1ncc(S(=O)(=O)[N-][C@H](c2ccc(OC)cc2)C2CC2)s1 ZINC000460941930 501965091 /nfs/dbraw/zinc/96/50/91/501965091.db2.gz VHVVJXFBLZNDCR-INIZCTEOSA-N -1 3 352.481 3.144 20 0 FGADHM CCc1ncc(S(=O)(=O)[N-]C[C@H]2CCC[C@@H](C(F)(F)F)C2)s1 ZINC000460941779 501965120 /nfs/dbraw/zinc/96/51/20/501965120.db2.gz ZUASBKIETXHQEV-VHSXEESVSA-N -1 3 356.435 3.353 20 0 FGADHM Cc1ccc(CN(C)C(=O)N=c2cc3ccc(Br)cn3[n-]2)cc1 ZINC000482073324 501965061 /nfs/dbraw/zinc/96/50/61/501965061.db2.gz JNBKAUZIVYLRCN-UHFFFAOYSA-N -1 3 373.254 3.491 20 0 FGADHM C[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccccc1OC(F)(F)F ZINC000464373456 501969809 /nfs/dbraw/zinc/96/98/09/501969809.db2.gz FISAZRGWYJMUHA-SSDOTTSWSA-N -1 3 351.268 3.204 20 0 FGADHM Cc1cc(Sc2ncccn2)ccc1NC(=O)NCc1ncccc1[O-] ZINC000471271443 501975039 /nfs/dbraw/zinc/97/50/39/501975039.db2.gz CUNLZCNYFOXRPK-UHFFFAOYSA-N -1 3 367.434 3.359 20 0 FGADHM CCOc1ccccc1[C@@](N)(C(=O)Nc1ccc([O-])cc1F)C(F)(F)F ZINC000471292994 501980187 /nfs/dbraw/zinc/98/01/87/501980187.db2.gz QPCRDCFKSSCTAK-MRXNPFEDSA-N -1 3 372.318 3.285 20 0 FGADHM CC(C)[C@@H]1CCCN1C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482139928 501986583 /nfs/dbraw/zinc/98/65/83/501986583.db2.gz IWBQXIVDBXKTKX-ZDUSSCGKSA-N -1 3 351.248 3.171 20 0 FGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)[C@@H](C)c2ccc(F)c(F)c2)c1 ZINC000461034885 501995683 /nfs/dbraw/zinc/99/56/83/501995683.db2.gz XDHUARQSCCZKRG-NSHDSACASA-N -1 3 368.405 3.387 20 0 FGADHM COc1cc(C(=O)NCc2ccc3[nH]c(C)c(C)c3c2)cc(OC)c1[O-] ZINC000485946681 501996221 /nfs/dbraw/zinc/99/62/21/501996221.db2.gz XNBDAXJQKNOFPY-UHFFFAOYSA-N -1 3 354.406 3.438 20 0 FGADHM C[C@@H](NC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)c1cccc(Cl)c1 ZINC000485947889 501996834 /nfs/dbraw/zinc/99/68/34/501996834.db2.gz VMAZPHOEONQUIO-SNVBAGLBSA-N -1 3 370.833 3.342 20 0 FGADHM Cc1cc(NC(=O)c2ccc([N-]S(C)(=O)=O)cc2)c2cccnc2c1C ZINC000464466463 501997973 /nfs/dbraw/zinc/99/79/73/501997973.db2.gz WGJUJKXCVSCYIT-UHFFFAOYSA-N -1 3 369.446 3.475 20 0 FGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000464468603 501998196 /nfs/dbraw/zinc/99/81/96/501998196.db2.gz BNHLTNMFMYHAFO-RYUDHWBXSA-N -1 3 359.311 3.026 20 0 FGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000464468603 501998202 /nfs/dbraw/zinc/99/82/02/501998202.db2.gz BNHLTNMFMYHAFO-RYUDHWBXSA-N -1 3 359.311 3.026 20 0 FGADHM CC(C)(C)[C@H]1CCN(C(=O)N=c2cc3ccc(Br)cn3[n-]2)C1 ZINC000482188452 502002265 /nfs/dbraw/zinc/00/22/65/502002265.db2.gz QOULTBRKDWBJRN-NSHDSACASA-N -1 3 365.275 3.419 20 0 FGADHM Cc1cc(O[C@@H](C)C(=O)NCc2nnc(C(F)(F)F)[n-]2)ccc1C(C)C ZINC000482222908 502011752 /nfs/dbraw/zinc/01/17/52/502011752.db2.gz UIMBCBJHZHAESU-NSHDSACASA-N -1 3 370.375 3.339 20 0 FGADHM Cc1cc(O[C@@H](C)C(=O)NCc2n[n-]c(C(F)(F)F)n2)ccc1C(C)C ZINC000482222908 502011758 /nfs/dbraw/zinc/01/17/58/502011758.db2.gz UIMBCBJHZHAESU-NSHDSACASA-N -1 3 370.375 3.339 20 0 FGADHM Cc1cc(O[C@@H](C)C(=O)NCc2nc(C(F)(F)F)n[n-]2)ccc1C(C)C ZINC000482222908 502011763 /nfs/dbraw/zinc/01/17/63/502011763.db2.gz UIMBCBJHZHAESU-NSHDSACASA-N -1 3 370.375 3.339 20 0 FGADHM CCCCn1c(-c2cc([O-])cc(F)c2)nc2c1c(=O)[nH]c(=O)n2CCCC ZINC000471429284 502025726 /nfs/dbraw/zinc/02/57/26/502025726.db2.gz WSQZHQCKHAXAKY-UHFFFAOYSA-N -1 3 374.416 3.411 20 0 FGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1C[C@@H](OC(C)C)C1(C)C ZINC000486071226 502036868 /nfs/dbraw/zinc/03/68/68/502036868.db2.gz RGCJETHMJVWZLM-LSDHHAIUSA-N -1 3 361.891 3.219 20 0 FGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)CC(=O)c1cccs1 ZINC000486096277 502045217 /nfs/dbraw/zinc/04/52/17/502045217.db2.gz CUQCUMNRZOKDLW-JTQLQIEISA-N -1 3 373.883 3.350 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCN(c3ccccc3C(F)(F)F)C2)o1 ZINC000478779912 502083178 /nfs/dbraw/zinc/08/31/78/502083178.db2.gz DVCBNEFQELFMIA-GFCCVEGCSA-N -1 3 374.384 3.164 20 0 FGADHM C[C@@H]1COc2ccccc2N1Cc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000464799156 502099421 /nfs/dbraw/zinc/09/94/21/502099421.db2.gz NJRQYOOALFCAAQ-CQSZACIVSA-N -1 3 373.416 3.309 20 0 FGADHM Cc1cccc(F)c1[N-]S(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CCC2 ZINC000461425286 502108732 /nfs/dbraw/zinc/10/87/32/502108732.db2.gz DJYBIWHASJXCMC-UHFFFAOYSA-N -1 3 374.437 3.160 20 0 FGADHM C[C@H]1[C@@H](C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)C1(F)F ZINC000461449392 502119740 /nfs/dbraw/zinc/11/97/40/502119740.db2.gz XPZIOKAKGQZJAB-XPTSAGLGSA-N -1 3 372.799 3.124 20 0 FGADHM Cc1cc([C@H]2[N-]C(=O)N(Cc3c(F)cc(F)c(F)c3F)C2=O)ccc1F ZINC000479028686 502142547 /nfs/dbraw/zinc/14/25/47/502142547.db2.gz XBZCGNZVWVMMJP-OAHLLOKOSA-N -1 3 370.277 3.484 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CCCc1c(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)cnn1C1CCCC1 ZINC000544226109 504053913 /nfs/dbraw/zinc/05/39/13/504053913.db2.gz LRCKFBQRHRQOEI-UHFFFAOYSA-N -1 3 365.441 3.383 20 0 FGADHM CCCc1c(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)cnn1C1CCCC1 ZINC000544226109 504053916 /nfs/dbraw/zinc/05/39/16/504053916.db2.gz LRCKFBQRHRQOEI-UHFFFAOYSA-N -1 3 365.441 3.383 20 0 FGADHM O=S(=O)([N-]c1ccc(Cn2cccn2)cc1)c1ccc2c(c1)CCCO2 ZINC000537837473 504058960 /nfs/dbraw/zinc/05/89/60/504058960.db2.gz VAJMPFGEVHXQHR-UHFFFAOYSA-N -1 3 369.446 3.057 20 0 FGADHM CCc1cccc(C(=O)NCc2ccc(C(=O)N(CC)CC)cc2)c1[O-] ZINC000530715441 504062349 /nfs/dbraw/zinc/06/23/49/504062349.db2.gz VEJLCQYFHSNNFB-UHFFFAOYSA-N -1 3 354.450 3.367 20 0 FGADHM Cc1sc2ncn(CC(=O)Nc3cc(Cl)ccc3[O-])c(=O)c2c1C ZINC000518783301 504062371 /nfs/dbraw/zinc/06/23/71/504062371.db2.gz GMJMEXNKWDDWKA-UHFFFAOYSA-N -1 3 363.826 3.073 20 0 FGADHM COCCn1ccc2ccc(NC(=O)c3[n-]nc4c3cccc4OC)cc21 ZINC000518786381 504064173 /nfs/dbraw/zinc/06/41/73/504064173.db2.gz 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O=C1CCCCc2ccc([N-]S(=O)(=O)c3ccc4c(c3)CCO4)cc21 ZINC000519534313 504243009 /nfs/dbraw/zinc/24/30/09/504243009.db2.gz BVANLHJOENDIEF-UHFFFAOYSA-N -1 3 357.431 3.331 20 0 FGADHM COc1cc(=NC(=O)NCc2ccccc2Sc2ccccc2)[n-]n1C ZINC000547839039 504243608 /nfs/dbraw/zinc/24/36/08/504243608.db2.gz QKOZNKVXQXNZLL-UHFFFAOYSA-N -1 3 368.462 3.324 20 0 FGADHM CCCCN(C(=O)Cc1csc(NC(=O)c2cccc([O-])c2)n1)C1CC1 ZINC000531325146 504267338 /nfs/dbraw/zinc/26/73/38/504267338.db2.gz IVRNEFGQXQVGHR-UHFFFAOYSA-N -1 3 373.478 3.435 20 0 FGADHM CCc1cc(C[N-]S(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)on1 ZINC000547965098 504276312 /nfs/dbraw/zinc/27/63/12/504276312.db2.gz WCCCWSUHGFKIBU-UHFFFAOYSA-N -1 3 368.764 3.388 20 0 FGADHM CCc1cccc(C(=O)NCc2ccc(NC(=O)NC(C)C)cc2)c1[O-] ZINC000531357190 504277287 /nfs/dbraw/zinc/27/72/87/504277287.db2.gz DSDSJTUBAUSSCG-UHFFFAOYSA-N -1 3 355.438 3.415 20 0 FGADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@H](C)c1c(C)cccc1C ZINC000544848048 504278206 /nfs/dbraw/zinc/27/82/06/504278206.db2.gz BGLOJLZJEKUPPM-CYBMUJFWSA-N -1 3 365.426 3.269 20 0 FGADHM O=C(c1cccc([O-])c1)N1CCN(CCCSCc2ccccc2)CC1 ZINC000534912648 504278271 /nfs/dbraw/zinc/27/82/71/504278271.db2.gz HRLFOPRKMYMOAS-UHFFFAOYSA-N -1 3 370.518 3.474 20 0 FGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@H](C)[C@@H]3CCCOC3)s2)cs1 ZINC000541870075 504283097 /nfs/dbraw/zinc/28/30/97/504283097.db2.gz WAAKIMDORZPIFG-ZYHUDNBSSA-N -1 3 372.537 3.273 20 0 FGADHM CCCN1CCN(c2ccccc2CN=c2[n-]nc(CCC(C)C)o2)CC1 ZINC000538592794 504296723 /nfs/dbraw/zinc/29/67/23/504296723.db2.gz PCNDVDJSYUGQSZ-UHFFFAOYSA-N -1 3 371.529 3.224 20 0 FGADHM Cc1ccc([C@@H](C[N-]S(=O)(=O)c2cccc(C)c2F)N(C)C)cc1 ZINC000541945457 504311921 /nfs/dbraw/zinc/31/19/21/504311921.db2.gz FSVVEIODLCCNPL-MRXNPFEDSA-N -1 3 350.459 3.024 20 0 FGADHM CC1(C)[C@H](NC(=O)c2cc([O-])cc(Br)c2)[C@H]2CCCO[C@@H]21 ZINC000528664817 504320253 /nfs/dbraw/zinc/32/02/53/504320253.db2.gz XQBQNHAUCLEJFT-MCIONIFRSA-N -1 3 354.244 3.088 20 0 FGADHM CCOc1ccncc1S(=O)(=O)[N-][C@@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000519743938 504323314 /nfs/dbraw/zinc/32/33/14/504323314.db2.gz ATDZFRJVWUFSHS-GDBMZVCRSA-N -1 3 364.442 3.234 20 0 FGADHM CC[C@H](NC(=O)c1cc([O-])cc(Br)c1)c1c(C)nn(C)c1C ZINC000528686902 504331509 /nfs/dbraw/zinc/33/15/09/504331509.db2.gz AHIQNYYLKIQHDL-AWEZNQCLSA-N -1 3 366.259 3.386 20 0 FGADHM CC(C)n1cc(C(=O)[N-]c2nnc(SCc3ccccc3)s2)nn1 ZINC000519802440 504344673 /nfs/dbraw/zinc/34/46/73/504344673.db2.gz GBWJJQHUJRYUFJ-UHFFFAOYSA-N -1 3 360.468 3.255 20 0 FGADHM O=C(NCc1cccc(NC(=O)c2ccccc2)c1)c1ccc2n[n-]nc2c1 ZINC000535119439 504347571 /nfs/dbraw/zinc/34/75/71/504347571.db2.gz BNAHBOXFUDHHGV-UHFFFAOYSA-N -1 3 371.400 3.140 20 0 FGADHM COc1cc(=NC(=O)N(C)[C@@H](C)c2ccc(C(F)(F)F)cc2)[n-]n1C ZINC000548166291 504354668 /nfs/dbraw/zinc/35/46/68/504354668.db2.gz NOIHFTGVDFCQTP-JTQLQIEISA-N -1 3 356.348 3.094 20 0 FGADHM COc1cc(=NC(=O)N[C@H](c2ccc(F)cc2F)C(C)(C)C)[n-]n1C ZINC000548167801 504355482 /nfs/dbraw/zinc/35/54/82/504355482.db2.gz VUUTVPKWPKLVST-OAHLLOKOSA-N -1 3 352.385 3.038 20 0 FGADHM COc1cc(=NC(=O)N2CCCCC[C@@H]2/C=C\c2cccs2)[n-]n1C ZINC000548166709 504356223 /nfs/dbraw/zinc/35/62/23/504356223.db2.gz IHTQMEGAFGVQAB-CFYYFVFUSA-N -1 3 360.483 3.402 20 0 FGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]CCN1CC[C@@H](C)C1 ZINC000531596941 504358512 /nfs/dbraw/zinc/35/85/12/504358512.db2.gz OPLMNTCAXHKTGZ-LLVKDONJSA-N -1 3 356.875 3.015 20 0 FGADHM C[C@H](NC(=O)Cc1ccc([O-])cc1Cl)c1ccc([S@](C)=O)cc1 ZINC000535253385 504383704 /nfs/dbraw/zinc/38/37/04/504383704.db2.gz SRERJBJFMQPUNA-RULNZOCKSA-N -1 3 351.855 3.203 20 0 FGADHM O=S(=O)([N-]CC1CCCC1)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000548292965 504388824 /nfs/dbraw/zinc/38/88/24/504388824.db2.gz BBMLBTIAFUZZMW-AWEZNQCLSA-N -1 3 373.902 3.224 20 0 FGADHM O=C(CSc1nnc(-c2cccs2)n1C1CC1)Nc1ncccc1[O-] ZINC000542166712 504388884 /nfs/dbraw/zinc/38/88/84/504388884.db2.gz UUTMWZYYDMJSBF-UHFFFAOYSA-N -1 3 373.463 3.173 20 0 FGADHM C[C@@H]1CCCC[C@@H]1C[N-]S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2 ZINC000519967198 504391340 /nfs/dbraw/zinc/39/13/40/504391340.db2.gz CMONOGRZNDFWGR-DGCLKSJQSA-N -1 3 370.902 3.329 20 0 FGADHM O=C(CNC(=O)c1cccc([O-])c1)N1CCCC[C@@H]1CCc1ccccc1 ZINC000548306380 504393029 /nfs/dbraw/zinc/39/30/29/504393029.db2.gz YHSYUTGWDJJXIJ-LJQANCHMSA-N -1 3 366.461 3.136 20 0 FGADHM CCN(C(=O)c1cc(=O)[n-]c(N(C)C)n1)[C@@H](C)c1cc2ccccc2o1 ZINC000545205349 504394736 /nfs/dbraw/zinc/39/47/36/504394736.db2.gz ALMBNYMNBAXEGA-LBPRGKRZSA-N -1 3 354.410 3.218 20 0 FGADHM O=S(=O)(CCc1ccc2c(c1)CCO2)[N-]c1cc(Cl)ccc1F ZINC000548326228 504399979 /nfs/dbraw/zinc/39/99/79/504399979.db2.gz XRFWKAUKZMCBOC-UHFFFAOYSA-N -1 3 355.818 3.398 20 0 FGADHM C[C@](O)(C1CCN(C(=O)c2cc3c(cc2[O-])CCCC3)CC1)C(F)(F)F ZINC000545249800 504415408 /nfs/dbraw/zinc/41/54/08/504415408.db2.gz ALZLXXBHCCJXAQ-SFHVURJKSA-N -1 3 371.399 3.437 20 0 FGADHM COc1ccc([C@@H](NCc2cc(=O)[n-]c(-c3ccccc3)n2)C2CC2)cn1 ZINC000528854503 504417041 /nfs/dbraw/zinc/41/70/41/504417041.db2.gz WGDRNQALSQNRRB-FQEVSTJZSA-N -1 3 362.433 3.494 20 0 FGADHM CC(C)(C)n1cnc([N-]C(=O)c2cnc(-c3ccc4c(c3)OCO4)s2)n1 ZINC000542243611 504419782 /nfs/dbraw/zinc/41/97/82/504419782.db2.gz SCYYOOXPLZGELA-UHFFFAOYSA-N -1 3 371.422 3.138 20 0 FGADHM Cc1nnc([C@H](C)[N-]S(=O)(=O)c2c(C)cc(C(C)(C)C)cc2C)o1 ZINC000531839490 504441260 /nfs/dbraw/zinc/44/12/60/504441260.db2.gz BBGZZQGNVYUHIL-LBPRGKRZSA-N -1 3 351.472 3.332 20 0 FGADHM C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000531851336 504445798 /nfs/dbraw/zinc/44/57/98/504445798.db2.gz HKYHRCLMBWATBY-KFWWJZLASA-N -1 3 350.484 3.078 20 0 FGADHM Cc1nc(-c2ccc(NC(=O)N3CC(Cc4ccco4)C3)cc2)cc(=O)[n-]1 ZINC000528918186 504449823 /nfs/dbraw/zinc/44/98/23/504449823.db2.gz OGABWNUOGYDGHP-UHFFFAOYSA-N -1 3 364.405 3.457 20 0 FGADHM Cc1cc(NC(=O)CC[N-]S(=O)(=O)c2cccs2)ccc1C1CC1 ZINC000548472204 504458710 /nfs/dbraw/zinc/45/87/10/504458710.db2.gz AFOWOEGWWDJYCP-UHFFFAOYSA-N -1 3 364.492 3.241 20 0 FGADHM O=C(Nc1cc(F)c(F)cc1F)c1c[n-]nc1-c1ccc2c(c1)OCO2 ZINC000542362831 504462812 /nfs/dbraw/zinc/46/28/12/504462812.db2.gz XBKLHZSYXCGLJR-UHFFFAOYSA-N -1 3 361.279 3.475 20 0 FGADHM Cc1nnc([C@H](C)[N-]S(=O)(=O)Cc2c(Cl)cccc2Cl)s1 ZINC000545370411 504463720 /nfs/dbraw/zinc/46/37/20/504463720.db2.gz WFENSMJVDSCZGJ-ZETCQYMHSA-N -1 3 366.295 3.334 20 0 FGADHM COc1cc(=NC(=O)N[C@@H]2C[C@H]3CCC(C)(C)c4cccc2c43)[n-]n1C ZINC000548496062 504467839 /nfs/dbraw/zinc/46/78/39/504467839.db2.gz BGAKFGVPMGLWKR-IUODEOHRSA-N -1 3 354.454 3.272 20 0 FGADHM Cc1ccc(C(=O)NCCc2nc(-c3cnc4ccccc4c3)no2)c([O-])c1 ZINC000548597603 504488583 /nfs/dbraw/zinc/48/85/83/504488583.db2.gz BAIMXPVFYAZFIB-UHFFFAOYSA-N -1 3 374.400 3.271 20 0 FGADHM COC(=O)c1ccc(S(=O)(=O)[N-]CC[C@@H](C)c2ccccc2)cc1F ZINC000545458644 504494265 /nfs/dbraw/zinc/49/42/65/504494265.db2.gz JSGMHAMONQOLLK-CYBMUJFWSA-N -1 3 365.426 3.084 20 0 FGADHM COCC[C@@H]1CCCCN(C(=O)c2cc([O-])cc(Br)c2)C1 ZINC000529058493 504515836 /nfs/dbraw/zinc/51/58/36/504515836.db2.gz WGNMBDGAOYGLFN-LBPRGKRZSA-N -1 3 356.260 3.434 20 0 FGADHM Cc1ccc(C=Cc2nc(-c3ccc([C@@]4(C)NC(=O)[N-]C4=O)cc3)no2)cc1 ZINC000545529287 504517448 /nfs/dbraw/zinc/51/74/48/504517448.db2.gz SRIAPJXBZSNSEH-HEEFDWFXSA-N -1 3 374.400 3.270 20 0 FGADHM Cc1ccc(-c2nc(-c3ccc([C@]4(C)NC(=O)[N-]C4=O)cc3)no2)cc1C ZINC000545530998 504518133 /nfs/dbraw/zinc/51/81/33/504518133.db2.gz HYVLJXLQOXCNAW-FQEVSTJZSA-N -1 3 362.389 3.075 20 0 FGADHM COCCN(Cc1ccc(OC)c([O-])c1Br)CC(F)(F)F ZINC000545549039 504522416 /nfs/dbraw/zinc/52/24/16/504522416.db2.gz BRBJIAPZWLAIPG-UHFFFAOYSA-N -1 3 372.181 3.174 20 0 FGADHM COc1ccc(CN2CC[C@@H](OCC(C)C)C2)c(Br)c1[O-] ZINC000545550501 504522569 /nfs/dbraw/zinc/52/25/69/504522569.db2.gz XAWAQEVQVLVAEO-CYBMUJFWSA-N -1 3 358.276 3.410 20 0 FGADHM COc1ccc(CN2CCC[C@H]3COCC[C@@H]32)c(Br)c1[O-] ZINC000545550004 504522860 /nfs/dbraw/zinc/52/28/60/504522860.db2.gz UGZRWCLZXZHZHL-STQMWFEESA-N -1 3 356.260 3.164 20 0 FGADHM C[C@H](C[C@H]1CCCO1)NC(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000548702114 504534090 /nfs/dbraw/zinc/53/40/90/504534090.db2.gz BUCPVRJGMDOOHM-AUUYWEPGSA-N -1 3 353.418 3.311 20 0 FGADHM Cc1ccc(Cc2noc(-c3ccc(F)c([N-]S(C)(=O)=O)c3)n2)cc1 ZINC000545596333 504536301 /nfs/dbraw/zinc/53/63/01/504536301.db2.gz FPVWYUHABQNPIJ-UHFFFAOYSA-N -1 3 361.398 3.146 20 0 FGADHM COC[C@@]1(C(=O)[O-])CCN(Cc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000520594854 504536946 /nfs/dbraw/zinc/53/69/46/504536946.db2.gz UXEPDDCSISVBAL-QGZVFWFLSA-N -1 3 366.870 3.387 20 0 FGADHM C[C@@]1(c2ccc(CNc3nccc4ccc(F)cc43)cc2)NC(=O)[N-]C1=O ZINC000535789113 504545096 /nfs/dbraw/zinc/54/50/96/504545096.db2.gz CDUMSFSQEVLARD-FQEVSTJZSA-N -1 3 364.380 3.041 20 0 FGADHM C[C@@]1(Br)C[C@H]1C(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000529132508 504548294 /nfs/dbraw/zinc/54/82/94/504548294.db2.gz YMHWUSCAARPGAR-WRWORJQWSA-N -1 3 354.122 3.403 20 0 FGADHM O=C(N=c1cc2ccccn2[n-]1)N[C@@H]1CCCOc2c(Cl)cccc21 ZINC000548771613 504560094 /nfs/dbraw/zinc/56/00/94/504560094.db2.gz IDSWIQCOWQAZCD-OAHLLOKOSA-N -1 3 356.813 3.445 20 0 FGADHM O=C(N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1cc(=O)c2ccccc2[n-]1 ZINC000542681278 504574670 /nfs/dbraw/zinc/57/46/70/504574670.db2.gz HSRMLHQWSQOMLH-FOIQADDNSA-N -1 3 366.392 3.317 20 0 FGADHM O=C(C(Cc1ccccc1)Cc1ccccc1)N1CCc2c(=O)[n-]cnc2C1 ZINC000548826284 504581008 /nfs/dbraw/zinc/58/10/08/504581008.db2.gz SKESPWKBRNJRLB-UHFFFAOYSA-N -1 3 373.456 3.169 20 0 FGADHM COc1cccc(-c2nc(-c3ccc(C)cc3N3CCOCC3)no2)c1[O-] ZINC000545763112 504588223 /nfs/dbraw/zinc/58/82/23/504588223.db2.gz SQXSOZAVZDBBLJ-UHFFFAOYSA-N -1 3 367.405 3.263 20 0 FGADHM Cc1nnc([C@H](C)NC(=O)c2cc(CCc3ccccc3)ccc2[O-])o1 ZINC000532281406 504598472 /nfs/dbraw/zinc/59/84/72/504598472.db2.gz AVWBMCHZYGOKEI-ZDUSSCGKSA-N -1 3 351.406 3.360 20 0 FGADHM Cc1ccsc1S(=O)(=O)[N-]c1cccn(Cc2ccccc2)c1=O ZINC000532291298 504600776 /nfs/dbraw/zinc/60/07/76/504600776.db2.gz KBUXTROAWGEDFW-UHFFFAOYSA-N -1 3 360.460 3.067 20 0 FGADHM O=C(NCc1cc(F)c(C(F)(F)F)cc1F)c1ccc2n[n-]nc2c1 ZINC000520873133 504601285 /nfs/dbraw/zinc/60/12/85/504601285.db2.gz JARJTRKVIODJSL-UHFFFAOYSA-N -1 3 356.254 3.185 20 0 FGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1cc(-c2nc(C)no2)ccc1C ZINC000532296523 504601985 /nfs/dbraw/zinc/60/19/85/504601985.db2.gz QBJUYXXFPABTBP-UHFFFAOYSA-N -1 3 371.422 3.132 20 0 FGADHM Cc1nn(C)c(-n2cccn2)c1C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000548891477 504607671 /nfs/dbraw/zinc/60/76/71/504607671.db2.gz MWZLLVRKVHNQBH-UHFFFAOYSA-N -1 3 353.426 3.170 20 0 FGADHM O=C(N[C@H]1CCCC12CCOCC2)c1cc([O-])cc(Br)c1 ZINC000529274582 504615903 /nfs/dbraw/zinc/61/59/03/504615903.db2.gz OFDVVJVUPYASQD-AWEZNQCLSA-N -1 3 354.244 3.234 20 0 FGADHM CSc1nnc(NC(=O)c2ccc(C(=O)Nc3ccccc3)cc2)[n-]1 ZINC000536095872 504631028 /nfs/dbraw/zinc/63/10/28/504631028.db2.gz RWUQVEDNKKSFTI-UHFFFAOYSA-N -1 3 353.407 3.031 20 0 FGADHM CSc1n[n-]c(NC(=O)c2ccc(C(=O)Nc3ccccc3)cc2)n1 ZINC000536095872 504631033 /nfs/dbraw/zinc/63/10/33/504631033.db2.gz RWUQVEDNKKSFTI-UHFFFAOYSA-N -1 3 353.407 3.031 20 0 FGADHM CSc1nc(NC(=O)c2ccc(C(=O)Nc3ccccc3)cc2)n[n-]1 ZINC000536095872 504631039 /nfs/dbraw/zinc/63/10/39/504631039.db2.gz RWUQVEDNKKSFTI-UHFFFAOYSA-N -1 3 353.407 3.031 20 0 FGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@H]2CSC2(C)C)cc1Cl ZINC000548978098 504642522 /nfs/dbraw/zinc/64/25/22/504642522.db2.gz JWQZJOITOOOGTR-NSHDSACASA-N -1 3 356.296 3.174 20 0 FGADHM COC(=O)c1ccc(C(=O)[N-]c2c(Cl)ccc(C(=O)OC)c2C)o1 ZINC000545930327 504642691 /nfs/dbraw/zinc/64/26/91/504642691.db2.gz KZHIOECXQXNWIU-UHFFFAOYSA-N -1 3 351.742 3.067 20 0 FGADHM COc1ccc(CN(C)C)cc1[N-]S(=O)(=O)c1cnc2ccccc2c1 ZINC000548985688 504643977 /nfs/dbraw/zinc/64/39/77/504643977.db2.gz GRTCFSGGTQCVQB-UHFFFAOYSA-N -1 3 371.462 3.106 20 0 FGADHM O=C(c1cc([O-])cc(Br)c1)N1CCCC[C@@H]1c1cc[nH]n1 ZINC000529358948 504644117 /nfs/dbraw/zinc/64/41/17/504644117.db2.gz OXGRYIJTCFFUCQ-CQSZACIVSA-N -1 3 350.216 3.245 20 0 FGADHM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(N3CN=NC3=O)c2C)c(C)c1 ZINC000521129429 504657450 /nfs/dbraw/zinc/65/74/50/504657450.db2.gz UMEBWFLQYAZELE-UHFFFAOYSA-N -1 3 372.450 3.007 20 0 FGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)c1cc2c(ccc3ccccc23)[nH]1 ZINC000521135858 504658153 /nfs/dbraw/zinc/65/81/53/504658153.db2.gz WWIMBYGWAGLJDA-UHFFFAOYSA-N -1 3 368.400 3.431 20 0 FGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)c1cc2c(ccc3ccccc23)[nH]1 ZINC000521135858 504658159 /nfs/dbraw/zinc/65/81/59/504658159.db2.gz WWIMBYGWAGLJDA-UHFFFAOYSA-N -1 3 368.400 3.431 20 0 FGADHM O=C(c1cc([O-])cc(Br)c1)N1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000529406841 504658951 /nfs/dbraw/zinc/65/89/51/504658951.db2.gz KCKWSOGYSRIGMA-CABCVRRESA-N -1 3 366.255 3.328 20 0 FGADHM O=C(NC[C@H](c1c(F)cccc1Cl)N1CCCC1)c1cncc([O-])c1 ZINC000521163574 504665531 /nfs/dbraw/zinc/66/55/31/504665531.db2.gz VJMSNNOSSWJRQL-MRXNPFEDSA-N -1 3 363.820 3.147 20 0 FGADHM CCCCC(=O)N1CSC[C@@H]1C(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000536215776 504669071 /nfs/dbraw/zinc/66/90/71/504669071.db2.gz VBYFQYPMEKQREL-CYBMUJFWSA-N -1 3 356.875 3.384 20 0 FGADHM CC(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2[O-])cc1 ZINC000536221093 504670814 /nfs/dbraw/zinc/67/08/14/504670814.db2.gz QNEJRKBUSGNCEG-UHFFFAOYSA-N -1 3 353.827 3.480 20 0 FGADHM COc1ccc(Cc2nnc(S[C@H](C)c3nc(C)cc(=O)[n-]3)o2)cc1 ZINC000532618814 504712605 /nfs/dbraw/zinc/71/26/05/504712605.db2.gz BVSGSLPJAFVGFC-LLVKDONJSA-N -1 3 358.423 3.326 20 0 FGADHM CCc1ccc([O-])c(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C)cc2)c1 ZINC000539841255 504714324 /nfs/dbraw/zinc/71/43/24/504714324.db2.gz VFSWHWLOZILCGT-KRWDZBQOSA-N -1 3 370.474 3.417 20 0 FGADHM CCc1nc(CN(C)C(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)cs1 ZINC000532658714 504727725 /nfs/dbraw/zinc/72/77/25/504727725.db2.gz BBHYDLOBXVXGBP-UHFFFAOYSA-N -1 3 359.426 3.267 20 0 FGADHM CCc1ccc([O-])c(C(=O)N2CSC[C@@H]2C(=O)Nc2cccc(F)c2)c1 ZINC000539890479 504731746 /nfs/dbraw/zinc/73/17/46/504731746.db2.gz YAHUWQXGQCFZAS-MRXNPFEDSA-N -1 3 374.437 3.248 20 0 FGADHM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-]CC[C@@H](C)c1ccccc1 ZINC000546164347 504732608 /nfs/dbraw/zinc/73/26/08/504732608.db2.gz JBTMOQBQXOWLLA-CYBMUJFWSA-N -1 3 365.426 3.084 20 0 FGADHM C[C@@H](NC(=O)CN1CCC[C@@H](CC(=O)[O-])C1)c1ccc(Cl)c(Cl)c1 ZINC000532712849 504742728 /nfs/dbraw/zinc/74/27/28/504742728.db2.gz XXJWCXYASLZTRM-NEPJUHHUSA-N -1 3 373.280 3.357 20 0 FGADHM CS(=O)(=O)[N-]c1ccc(C(=O)NCC(C2CCC2)C2CCC2)cc1 ZINC000529614243 504743023 /nfs/dbraw/zinc/74/30/23/504743023.db2.gz UUZXWSVVFSPNOG-UHFFFAOYSA-N -1 3 350.484 3.004 20 0 FGADHM CCCCOc1ccc(C(=O)NC[C@H](n2cccn2)C(F)(F)F)c([O-])c1 ZINC000529617159 504743497 /nfs/dbraw/zinc/74/34/97/504743497.db2.gz HYYIBLZQRFHBJD-HNNXBMFYSA-N -1 3 371.359 3.301 20 0 FGADHM C[C@]1(CNC(=O)c2cc([O-])ccc2C(F)(F)F)COc2ccccc2O1 ZINC000529616612 504743513 /nfs/dbraw/zinc/74/35/13/504743513.db2.gz JEZQXVGCNHATLW-KRWDZBQOSA-N -1 3 367.323 3.371 20 0 FGADHM C[C@H]1[C@H](NC(=O)N=c2[n-]nc(C(C)(C)C)s2)CCN1Cc1ccccc1 ZINC000521491112 504747852 /nfs/dbraw/zinc/74/78/52/504747852.db2.gz GVUHLQUPMNOEOW-DZGCQCFKSA-N -1 3 373.526 3.042 20 0 FGADHM Cc1cc(S(=O)(=O)[N-][C@H](CO)c2ccccc2C)c(Cl)cc1F ZINC000532774915 504756127 /nfs/dbraw/zinc/75/61/27/504756127.db2.gz IKMAGLXQHLJZHZ-OAHLLOKOSA-N -1 3 357.834 3.108 20 0 FGADHM COC(=O)c1cn(CC(=O)Nc2ccc(Cl)cc2[O-])c2ccccc12 ZINC000532838434 504765095 /nfs/dbraw/zinc/76/50/95/504765095.db2.gz YKSASUAPQNMJCK-UHFFFAOYSA-N -1 3 358.781 3.426 20 0 FGADHM CC(C)(Cc1ccc(Br)cc1)[N-]S(=O)(=O)c1ccccn1 ZINC000555963803 504773487 /nfs/dbraw/zinc/77/34/87/504773487.db2.gz PMLBAOPIEWIIMN-UHFFFAOYSA-N -1 3 369.284 3.144 20 0 FGADHM C[C@@H](CCc1ccc(Br)cc1)[N-]S(=O)(=O)c1ccccn1 ZINC000555964898 504773802 /nfs/dbraw/zinc/77/38/02/504773802.db2.gz QPVMDHXQZFKKBM-LBPRGKRZSA-N -1 3 369.284 3.144 20 0 FGADHM Cc1nc([N-]C(=O)[C@@H](C)Oc2ccccc2Cl)n(-c2ccccc2)n1 ZINC000562311497 504780232 /nfs/dbraw/zinc/78/02/32/504780232.db2.gz DSGKKYITNGRSRM-GFCCVEGCSA-N -1 3 356.813 3.057 20 0 FGADHM CN(C)c1nc(C(=O)Nc2ccc(Sc3ccncc3)cc2)cc(=O)[n-]1 ZINC000549301715 504786279 /nfs/dbraw/zinc/78/62/79/504786279.db2.gz AFDDNQCYCLLGEZ-UHFFFAOYSA-N -1 3 367.434 3.047 20 0 FGADHM COc1cc(CN(CC(=O)[O-])Cc2ccc(C(F)(F)F)cc2)ccn1 ZINC000565104346 504795089 /nfs/dbraw/zinc/79/50/89/504795089.db2.gz KMRPAGNMYAOSLY-UHFFFAOYSA-N -1 3 354.328 3.196 20 0 FGADHM C[C@@H](NC(=O)c1c[n-]c2ccncc2c1=O)c1cccc(OC(F)F)c1 ZINC000552998605 504801802 /nfs/dbraw/zinc/80/18/02/504801802.db2.gz GJQADUXFJOKUBJ-SNVBAGLBSA-N -1 3 359.332 3.016 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)c1ccc(Cl)cn1 ZINC000565144156 504807245 /nfs/dbraw/zinc/80/72/45/504807245.db2.gz XXPPTJXCLAXFJI-ZETCQYMHSA-N -1 3 350.749 3.192 20 0 FGADHM COC(=O)c1cc(C(=O)Nc2ccc(F)cc2OCC(F)(F)F)c[n-]1 ZINC000556160952 504808350 /nfs/dbraw/zinc/80/83/50/504808350.db2.gz UGUJGLGHVWUAHZ-UHFFFAOYSA-N -1 3 360.263 3.134 20 0 FGADHM CCN(CC)C(=O)c1ccc(NC(=O)c2cc(C(F)(F)F)n[n-]2)cc1 ZINC000559271282 504815405 /nfs/dbraw/zinc/81/54/05/504815405.db2.gz HFDQTSSISPEROH-UHFFFAOYSA-N -1 3 354.332 3.163 20 0 FGADHM CCN(CC)C(=O)c1ccc(NC(=O)c2cc(C(F)(F)F)[n-]n2)cc1 ZINC000559271282 504815407 /nfs/dbraw/zinc/81/54/07/504815407.db2.gz HFDQTSSISPEROH-UHFFFAOYSA-N -1 3 354.332 3.163 20 0 FGADHM COC(=O)c1cc(C(=O)Nc2cc(C(C)C)nn2Cc2ccccc2)c[n-]1 ZINC000565218093 504827733 /nfs/dbraw/zinc/82/77/33/504827733.db2.gz WKPBCSDWBYYORU-UHFFFAOYSA-N -1 3 366.421 3.422 20 0 FGADHM CCOC[C@@H](NCc1csc2c1cccc2Br)C(=O)[O-] ZINC000565239493 504832022 /nfs/dbraw/zinc/83/20/22/504832022.db2.gz ZHTOAQNSWDANMM-GFCCVEGCSA-N -1 3 358.257 3.243 20 0 FGADHM O=S(=O)([N-][C@H](c1cncc(Br)c1)C1CC1)c1cccs1 ZINC000556353500 504852807 /nfs/dbraw/zinc/85/28/07/504852807.db2.gz BMWCFUDITCVZRW-ZDUSSCGKSA-N -1 3 373.297 3.335 20 0 FGADHM CCc1cc(C(=O)N[C@@H]2CCN(C)[C@H]2c2ccc(F)c(F)c2)ccc1[O-] ZINC000553210494 504852928 /nfs/dbraw/zinc/85/29/28/504852928.db2.gz CGUZEZLSRQENGQ-MJGOQNOKSA-N -1 3 360.404 3.408 20 0 FGADHM CC(C)C(=O)c1ccc([C@H](C)C(=O)N=c2cc(-c3cccnc3)[n-][nH]2)cc1 ZINC000549597559 504856499 /nfs/dbraw/zinc/85/64/99/504856499.db2.gz DLFJOAAIZGURHI-AWEZNQCLSA-N -1 3 362.433 3.475 20 0 FGADHM O=S(=O)([N-][C@@H]1CCC[C@@H]1F)c1ccc(Br)c(Cl)c1 ZINC000549603184 504857836 /nfs/dbraw/zinc/85/78/36/504857836.db2.gz WOCDSYGMUCEPTI-WDEREUQCSA-N -1 3 356.644 3.271 20 0 FGADHM COC[C@H](c1ccc(Cl)cc1)N(C)C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000553239859 504860199 /nfs/dbraw/zinc/86/01/99/504860199.db2.gz YHYVRYXURIXEHW-OAHLLOKOSA-N -1 3 361.829 3.173 20 0 FGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)c1csc(C(F)(F)F)n1 ZINC000556429023 504871696 /nfs/dbraw/zinc/87/16/96/504871696.db2.gz SMAZLBVXFPAGSE-UHFFFAOYSA-N -1 3 363.317 3.141 20 0 FGADHM O=C(CSCc1cc(-c2cccs2)on1)N=c1cc2ccccn2[n-]1 ZINC000553323709 504883048 /nfs/dbraw/zinc/88/30/48/504883048.db2.gz VKHQWYXQVNUJSA-UHFFFAOYSA-N -1 3 370.459 3.345 20 0 FGADHM Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)c1c[n-]c2ccncc2c1=O ZINC000553327133 504884648 /nfs/dbraw/zinc/88/46/48/504884648.db2.gz YXZHSQUVGFJNPW-INIZCTEOSA-N -1 3 351.406 3.268 20 0 FGADHM COc1cc(CN(C)Cc2cc(=O)[n-]c(C3CC3)n2)ccc1OC(F)F ZINC000562681594 504907429 /nfs/dbraw/zinc/90/74/29/504907429.db2.gz BBBGAZIHBUPZOL-UHFFFAOYSA-N -1 3 365.380 3.302 20 0 FGADHM COc1cccc([C@@H]2C[C@@H](C)CN2C(=O)c2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000565548523 504919621 /nfs/dbraw/zinc/91/96/21/504919621.db2.gz IXSWMETWKLXOFT-PXAZEXFGSA-N -1 3 353.422 3.292 20 0 FGADHM CCCc1nc(C)c(C[N-]S(=O)(=O)C[C@H]2CCCCC2(F)F)o1 ZINC000565580341 504927872 /nfs/dbraw/zinc/92/78/72/504927872.db2.gz BATCUDZPSQDVBJ-GFCCVEGCSA-N -1 3 350.431 3.180 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]C[C@H](CO)C2CCCCC2)sc1Cl ZINC000549916196 504933442 /nfs/dbraw/zinc/93/34/42/504933442.db2.gz NZSFGPSTEXEKPS-GFCCVEGCSA-N -1 3 351.921 3.177 20 0 FGADHM O=S(=O)([N-]Cc1cccc2cc[nH]c21)c1cccnc1C(F)(F)F ZINC000553529377 504941180 /nfs/dbraw/zinc/94/11/80/504941180.db2.gz WJDNOERGKBSIQD-UHFFFAOYSA-N -1 3 355.341 3.060 20 0 FGADHM CC(C)Oc1ccc([C@H](C[N-]S(=O)(=O)c2cccs2)N(C)C)cc1 ZINC000553570302 504951578 /nfs/dbraw/zinc/95/15/78/504951578.db2.gz WZQBNUKMSUPCCT-INIZCTEOSA-N -1 3 368.524 3.117 20 0 FGADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2c(C)cccc2Cl)cc1F ZINC000559947936 504956190 /nfs/dbraw/zinc/95/61/90/504956190.db2.gz DJKMMPJKYRBUAB-UHFFFAOYSA-N -1 3 357.790 3.375 20 0 FGADHM O=C(CSCc1cc(=O)[n-]c(C2CC2)n1)N1CCCc2ccccc21 ZINC000562825261 504957697 /nfs/dbraw/zinc/95/76/97/504957697.db2.gz YEOLBVONXGFTMW-UHFFFAOYSA-N -1 3 355.463 3.272 20 0 FGADHM C[C@H]1CN(c2cccc(F)c2)CCN1C(=O)c1c[n-]c2ccccc2c1=O ZINC000553646675 504972316 /nfs/dbraw/zinc/97/23/16/504972316.db2.gz XKWQJNULXRKBMQ-AWEZNQCLSA-N -1 3 365.408 3.018 20 0 FGADHM [O-]c1coc2cc(OC[C@@H](O)Cc3ccc(C(F)(F)F)cc3)ccc12 ZINC000550175563 504984629 /nfs/dbraw/zinc/98/46/29/504984629.db2.gz BIPWTTUFDSWFKH-ZDUSSCGKSA-N -1 3 352.308 3.263 20 0 FGADHM CCCOc1ccc(CCC(=O)Nc2nc(C)[n-]c2C(=O)OCC)cc1 ZINC000562937729 504994009 /nfs/dbraw/zinc/99/40/09/504994009.db2.gz IROZIDULDLLELM-UHFFFAOYSA-N -1 3 359.426 3.255 20 0 FGADHM CCCOc1ccc(CCC(=O)Nc2[n-]c(C)nc2C(=O)OCC)cc1 ZINC000562937729 504994012 /nfs/dbraw/zinc/99/40/12/504994012.db2.gz IROZIDULDLLELM-UHFFFAOYSA-N -1 3 359.426 3.255 20 0 FGADHM CC1(C[N-]S(=O)(=O)c2cccnc2C(F)(F)F)Cc2ccccc2C1 ZINC000553869268 505029320 /nfs/dbraw/zinc/02/93/20/505029320.db2.gz KPDUHOOPPKPVFK-UHFFFAOYSA-N -1 3 370.396 3.184 20 0 FGADHM Cc1ccc(CS(=O)(=O)[N-][C@H](C(=O)OC(C)(C)C)C(C)C)cc1C ZINC000565974639 505042771 /nfs/dbraw/zinc/04/27/71/505042771.db2.gz YKMRNIJLRXKKPD-INIZCTEOSA-N -1 3 355.500 3.089 20 0 FGADHM CC(C)Cc1ccc([C@H](C)NC(=O)CN2CC[C@H](C)[C@H](C(=O)[O-])C2)cc1 ZINC000566009419 505054099 /nfs/dbraw/zinc/05/40/99/505054099.db2.gz SCWGBCBMVVGJKP-TXPKVOOTSA-N -1 3 360.498 3.105 20 0 FGADHM C[C@H](NC(=O)[C@H](C)N1CC[C@H](C)[C@H](C(=O)[O-])C1)c1cc2ccccc2o1 ZINC000563124677 505055016 /nfs/dbraw/zinc/05/50/16/505055016.db2.gz JPLLTFFUSBLSOF-RZLSGREXSA-N -1 3 358.438 3.041 20 0 FGADHM CC(C)(NC(=O)c1ccc([N-]S(C)(=O)=O)cc1)c1ccc(Cl)cc1 ZINC000550570926 505066449 /nfs/dbraw/zinc/06/64/49/505066449.db2.gz HPYYIPZLYARLJM-UHFFFAOYSA-N -1 3 366.870 3.377 20 0 FGADHM CC(=O)c1cccc(NC(=O)[C@H]2CCc3[nH]nc(C(F)(F)F)c3C2)c1[O-] ZINC000563193941 505072664 /nfs/dbraw/zinc/07/26/64/505072664.db2.gz IXNJBJCDGHAQBW-VIFPVBQESA-N -1 3 367.327 3.080 20 0 FGADHM Cc1ncc(CNC(=O)NC[C@H]2CCCC[C@@H]2c2ccccc2)c(=O)[n-]1 ZINC000560430930 505082600 /nfs/dbraw/zinc/08/26/00/505082600.db2.gz VXDSFNMKVJJRIC-SJLPKXTDSA-N -1 3 354.454 3.264 20 0 FGADHM CO[C@@H](CS(=O)(=O)[N-]c1ccc2c(c1)OC1(CCCCC1)O2)C1CC1 ZINC000566210767 505113051 /nfs/dbraw/zinc/11/30/51/505113051.db2.gz DKMRTZNKGCGOCI-KRWDZBQOSA-N -1 3 367.467 3.285 20 0 FGADHM COC(=O)CCCc1nnc([N-]C(=O)c2coc3ccc(F)cc23)s1 ZINC000566257876 505125984 /nfs/dbraw/zinc/12/59/84/505125984.db2.gz ZGHCHCYTHFAWMR-UHFFFAOYSA-N -1 3 363.370 3.171 20 0 FGADHM O=C(N[C@H]1CCCc2cn(C3CCCC3)nc21)c1cc(=O)[n-]c(C2CC2)n1 ZINC000563388996 505130401 /nfs/dbraw/zinc/13/04/01/505130401.db2.gz OKMRXBGHTZCSNR-HNNXBMFYSA-N -1 3 367.453 3.179 20 0 FGADHM C[C@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)CN1C(=O)c1csc(=O)[n-]1 ZINC000557439365 505135421 /nfs/dbraw/zinc/13/54/21/505135421.db2.gz UFJCDIXGIRLVAJ-TVQRCGJNSA-N -1 3 372.368 3.470 20 0 FGADHM C[C@H](O)[C@H]([N-]S(=O)(=O)Cc1ccccc1Cl)c1ccccc1F ZINC000566338514 505148370 /nfs/dbraw/zinc/14/83/70/505148370.db2.gz QMZRLQDDVZKLTI-ZBEGNZNMSA-N -1 3 357.834 3.021 20 0 FGADHM COc1ccc2c(c1)CCC[C@]2(NCc1ccc(OC)cc1OC)C(=O)[O-] ZINC000551055580 505148824 /nfs/dbraw/zinc/14/88/24/505148824.db2.gz NQPBVMQXMFWKTJ-OAQYLSRUSA-N -1 3 371.433 3.118 20 0 FGADHM CCCN(CCC)C(=O)c1cccc(C(=O)N=c2cc3ccccn3[n-]2)c1 ZINC000557536508 505159925 /nfs/dbraw/zinc/15/99/25/505159925.db2.gz ATGPNSQKGJEQSH-UHFFFAOYSA-N -1 3 364.449 3.271 20 0 FGADHM CCOc1cc2c(cc1NC(=O)c1cc(=O)[n-]c(C3CC3)n1)O[C@@H](C)C2 ZINC000557575299 505172230 /nfs/dbraw/zinc/17/22/30/505172230.db2.gz LVBOGGHIUVHSFJ-JTQLQIEISA-N -1 3 355.394 3.034 20 0 FGADHM CN(CCc1ccc(Br)cc1)C(=O)N=c1cc2ccccn2[n-]1 ZINC000554441773 505174877 /nfs/dbraw/zinc/17/48/77/505174877.db2.gz ISEWSTMZOSFHRR-UHFFFAOYSA-N -1 3 373.254 3.225 20 0 FGADHM O=C(N=c1cc2ccccn2[n-]1)N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000554444055 505174992 /nfs/dbraw/zinc/17/49/92/505174992.db2.gz CYEOGQLZECKNOQ-HNNXBMFYSA-N -1 3 366.396 3.022 20 0 FGADHM Cc1ccc2[n-]cc(C(=O)N[C@H]3CCO[C@H](c4ccccc4)C3)c(=O)c2c1 ZINC000557610583 505182011 /nfs/dbraw/zinc/18/20/11/505182011.db2.gz DLALUGHSGMEBPX-JXFKEZNVSA-N -1 3 362.429 3.487 20 0 FGADHM CN(Cc1ccc(Br)s1)C(=O)N=c1cc2ccccn2[n-]1 ZINC000554525187 505197019 /nfs/dbraw/zinc/19/70/19/505197019.db2.gz MPKZTSBGLHSLCM-UHFFFAOYSA-N -1 3 365.256 3.244 20 0 FGADHM CCOC(=O)c1cc([N-]C(=O)c2ncn(-c3ccccc3)n2)c(F)cc1C ZINC000563680478 505209232 /nfs/dbraw/zinc/20/92/32/505209232.db2.gz VKLLCAMZPVLEOG-UHFFFAOYSA-N -1 3 368.368 3.144 20 0 FGADHM CCOC(=O)c1cc([N-]S(=O)(=O)Cc2cccc(F)c2)c(F)cc1C ZINC000551388902 505214935 /nfs/dbraw/zinc/21/49/35/505214935.db2.gz CVOXBPDEBXEJCJ-UHFFFAOYSA-N -1 3 369.389 3.392 20 0 FGADHM Cn1cc(OCC(=O)[N-]c2cc(-c3ccc(C(C)(C)C)cc3)no2)cn1 ZINC000554593539 505216192 /nfs/dbraw/zinc/21/61/92/505216192.db2.gz GYQVRKZBZRFXGM-UHFFFAOYSA-N -1 3 354.410 3.390 20 0 FGADHM Cc1ccc2oc(C(=O)[N-]c3n[nH]c(Cc4cccc(F)c4)n3)cc2n1 ZINC000554617173 505223551 /nfs/dbraw/zinc/22/35/51/505223551.db2.gz IRCMLLZOAXLYRJ-UHFFFAOYSA-N -1 3 351.341 3.237 20 0 FGADHM COC(=O)c1c(F)ccc([N-]S(=O)(=O)c2ccc(C)cc2C)c1C ZINC000566651965 505232384 /nfs/dbraw/zinc/23/23/84/505232384.db2.gz UUKMBHXZAFWJLM-UHFFFAOYSA-N -1 3 351.399 3.338 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)Cc1cccc(Cl)c1)c1nc(C(C)(C)C)no1 ZINC000554701745 505244263 /nfs/dbraw/zinc/24/42/63/505244263.db2.gz ZNXKDNUAGGBWGS-SNVBAGLBSA-N -1 3 357.863 3.201 20 0 FGADHM CS[C@@H](C)C[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000551564994 505255399 /nfs/dbraw/zinc/25/53/99/505255399.db2.gz ZPGPJVIDKOJGHS-ZETCQYMHSA-N -1 3 358.710 3.132 20 0 FGADHM O=C(NC[C@@]1(CO)C[C@H]1c1ccccc1)c1cc([O-])ccc1C(F)(F)F ZINC000566769652 505267081 /nfs/dbraw/zinc/26/70/81/505267081.db2.gz MEZVXVKXBIUARS-FUHWJXTLSA-N -1 3 365.351 3.307 20 0 FGADHM CCOC1CC(N(C)C(=O)c2ccc(C(=O)c3cccc([O-])c3)cc2)C1 ZINC000557955159 505271467 /nfs/dbraw/zinc/27/14/67/505271467.db2.gz VZXPMVBHMYBADG-UHFFFAOYSA-N -1 3 353.418 3.263 20 0 FGADHM Cc1ccc2c(CN3CCCN(CC(F)(F)F)CC3)ccc([O-])c2n1 ZINC000554820791 505272473 /nfs/dbraw/zinc/27/24/73/505272473.db2.gz PGHUZJUJEVJKLL-UHFFFAOYSA-N -1 3 353.388 3.319 20 0 FGADHM Cc1ccc2[n-]cc(C(=O)Nc3ccc4c(c3)CN(C)C(=O)N4)c(=O)c2c1 ZINC000561243032 505290523 /nfs/dbraw/zinc/29/05/23/505290523.db2.gz UXINZYUJZNYKLX-UHFFFAOYSA-N -1 3 362.389 3.066 20 0 FGADHM CN(C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O)C1CCC(F)(F)CC1 ZINC000564029391 505305618 /nfs/dbraw/zinc/30/56/18/505305618.db2.gz LHVPBSZMKBMZNT-UHFFFAOYSA-N -1 3 356.319 3.456 20 0 FGADHM C[C@H](Oc1ccc2ccccc2c1)C(=O)[N-]c1nncn1-c1cccnc1 ZINC000564029281 505306070 /nfs/dbraw/zinc/30/60/70/505306070.db2.gz GGGPPYOQVRFOQN-AWEZNQCLSA-N -1 3 359.389 3.222 20 0 FGADHM O=C([N-]c1cc(F)cc(F)c1F)c1cn(Cc2cccc(F)c2)nn1 ZINC000558230852 505340051 /nfs/dbraw/zinc/34/00/51/505340051.db2.gz FXPOZOVBQGOUMY-UHFFFAOYSA-N -1 3 350.275 3.135 20 0 FGADHM COc1ncc(C(=O)Nc2ccc(Br)cc2[O-])cc1Cl ZINC000551918638 505342320 /nfs/dbraw/zinc/34/23/20/505342320.db2.gz XMXLCWOFOHHOLF-UHFFFAOYSA-N -1 3 357.591 3.464 20 0 FGADHM O=C(c1ccccc1OC1CCCCC1)N1CCc2c(nc[n-]c2=O)C1 ZINC000564197615 505350466 /nfs/dbraw/zinc/35/04/66/505350466.db2.gz YIPSTMRDRXBXNY-UHFFFAOYSA-N -1 3 353.422 3.092 20 0 FGADHM O=C(Cc1ccc([O-])c(F)c1)N1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000567073165 505354924 /nfs/dbraw/zinc/35/49/24/505354924.db2.gz VOVIUJLFYCPDRH-OAHLLOKOSA-N -1 3 357.429 3.013 20 0 FGADHM C[C@@H]1C[C@H]1c1ccc(C[N-]S(=O)(=O)c2cccnc2C(F)(F)F)o1 ZINC000561495612 505360790 /nfs/dbraw/zinc/36/07/90/505360790.db2.gz GZWFGKTWKFVNNX-MWLCHTKSSA-N -1 3 360.357 3.295 20 0 FGADHM CCN(C(=O)c1cncc([N-]S(C)(=O)=O)c1)c1cccc2ccccc21 ZINC000551984101 505361962 /nfs/dbraw/zinc/36/19/62/505361962.db2.gz ANZUWANXFKPXEU-UHFFFAOYSA-N -1 3 369.446 3.273 20 0 FGADHM 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/nfs/dbraw/zinc/38/78/90/505387890.db2.gz VEXQVVFNZDCQMF-ZDUSSCGKSA-N -1 3 368.359 3.391 20 0 FGADHM CC(C)c1ccc([C@H]2CCCN2C(=O)c2cc(=O)[n-]c(N(C)C)n2)cc1 ZINC000555247274 505390096 /nfs/dbraw/zinc/39/00/96/505390096.db2.gz AVKFNAKJAJHSEI-QGZVFWFLSA-N -1 3 354.454 3.349 20 0 FGADHM CO[C@](C)(CNC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1)C1CC1 ZINC000567207076 505394160 /nfs/dbraw/zinc/39/41/60/505394160.db2.gz YAEBEPUPSWFDJQ-LJQANCHMSA-N -1 3 356.426 3.094 20 0 FGADHM O=C(N=c1cc2ccccn2[n-]1)NC[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000558464465 505397952 /nfs/dbraw/zinc/39/79/52/505397952.db2.gz ZUKMEPGFPHGXDD-LPHOPBHVSA-N -1 3 350.422 3.046 20 0 FGADHM COc1ccc(C[C@@H](C)CN(C)C(=O)N=c2cc3ccccn3[n-]2)cc1 ZINC000558464965 505398374 /nfs/dbraw/zinc/39/83/74/505398374.db2.gz CMEPZDSDZTYPDZ-OAHLLOKOSA-N -1 3 352.438 3.107 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@H](C)Cn2ncc3ccccc32)c1-c1ccccc1 ZINC000558491390 505407420 /nfs/dbraw/zinc/40/74/20/505407420.db2.gz MALRWYZAURTESF-CQSZACIVSA-N -1 3 359.433 3.432 20 0 FGADHM C[C@@H]1SCCN(C(=O)c2cc(=O)[n-]c(C3CC3)n2)[C@@H]1c1ccccc1 ZINC000567247786 505407707 /nfs/dbraw/zinc/40/77/07/505407707.db2.gz QXYJXRKSZSFHRC-SJCJKPOMSA-N -1 3 355.463 3.378 20 0 FGADHM C[C@H]1CCc2ccccc2[C@@H]1[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC000555335301 505409450 /nfs/dbraw/zinc/40/94/50/505409450.db2.gz SBNMLFVXHUGSIV-IINYFYTJSA-N -1 3 373.400 3.041 20 0 FGADHM CN(Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)C[C@H]1CCCO1 ZINC000555337371 505410353 /nfs/dbraw/zinc/41/03/53/505410353.db2.gz QHDTWJCJINKMPY-GOSISDBHSA-N -1 3 360.479 3.098 20 0 FGADHM CC(C)c1cc(C(=O)NCc2ccc(C(N)=O)nc2)c([O-])c(C(C)C)c1 ZINC000552156581 505418212 /nfs/dbraw/zinc/41/82/12/505418212.db2.gz OCFPESXYQWUKNY-UHFFFAOYSA-N -1 3 355.438 3.063 20 0 FGADHM Cc1cccc(F)c1S(=O)(=O)[N-]CCc1cc(C(F)(F)F)ccn1 ZINC000555412732 505427264 /nfs/dbraw/zinc/42/72/64/505427264.db2.gz KONWHCKDLCKSFF-UHFFFAOYSA-N -1 3 362.348 3.069 20 0 FGADHM Cc1nc(-c2ccccc2)sc1CNC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000564466245 505427841 /nfs/dbraw/zinc/42/78/41/505427841.db2.gz LTNMJPLVEZPKMK-UHFFFAOYSA-N -1 3 366.446 3.422 20 0 FGADHM C[C@@H]1CCC[C@]1(O)C[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000555430266 505432256 /nfs/dbraw/zinc/43/22/56/505432256.db2.gz ZKNHYDHGWCXYNF-RNCFNFMXSA-N -1 3 371.808 3.188 20 0 FGADHM COCCOc1ccccc1S(=O)(=O)[N-]c1cccc(F)c1Cl ZINC000561772743 505433399 /nfs/dbraw/zinc/43/33/99/505433399.db2.gz TYMNTSJJFFWXGM-UHFFFAOYSA-N -1 3 359.806 3.305 20 0 FGADHM CCc1ccc([C@H](NC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)C(C)C)cc1 ZINC000561803845 505441124 /nfs/dbraw/zinc/44/11/24/505441124.db2.gz FZLLPZBCUQZOIC-GOSISDBHSA-N -1 3 350.418 3.260 20 0 FGADHM O=C(N[C@H]1CCO[C@H](c2ccc(F)cc2)C1)c1c[n-]nc1-c1ccccn1 ZINC000564524380 505441588 /nfs/dbraw/zinc/44/15/88/505441588.db2.gz GXQPQVQONRJVCE-YJBOKZPZSA-N -1 3 366.396 3.261 20 0 FGADHM COC(=O)c1cc(C(=O)Nc2cnn(-c3ccc(Cl)cc3)c2C)c[n-]1 ZINC000552337824 505465122 /nfs/dbraw/zinc/46/51/22/505465122.db2.gz BDTZFNPCYIIKPP-UHFFFAOYSA-N -1 3 358.785 3.201 20 0 FGADHM C[C@@H](O)C[C@@H]1CCCCCN1C(=O)Cc1ccc(Br)cc1[O-] ZINC000552367318 505474087 /nfs/dbraw/zinc/47/40/87/505474087.db2.gz MJKJWRZHGHSLRD-DOMZBBRYSA-N -1 3 370.287 3.239 20 0 FGADHM CCO[C@@H]1C[C@@](NCc2ccc([O-])c3nc(C)ccc23)(C(=O)OC)C1(C)C ZINC000558735293 505478120 /nfs/dbraw/zinc/47/81/20/505478120.db2.gz LQRQFGAEHVOGTR-DYESRHJHSA-N -1 3 372.465 3.085 20 0 FGADHM CCn1nnnc1-c1cccc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)c1 ZINC000561963631 505479941 /nfs/dbraw/zinc/47/99/41/505479941.db2.gz MFUSNCHVAKPPPF-UHFFFAOYSA-N -1 3 371.466 3.086 20 0 FGADHM Cc1cc(Br)cn2cc(CCNC(=O)c3cccc([O-])c3)nc12 ZINC000561994108 505488014 /nfs/dbraw/zinc/48/80/14/505488014.db2.gz ZSHWGRJVGVSFMB-UHFFFAOYSA-N -1 3 374.238 3.083 20 0 FGADHM O=C(Nc1c([O-])cccc1Cl)[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1 ZINC000552435704 505490887 /nfs/dbraw/zinc/49/08/87/505490887.db2.gz VLCYLQHLIDXLAY-SECBINFHSA-N -1 3 366.751 3.315 20 0 FGADHM CCCc1nc(=NC(=O)N[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)s[n-]1 ZINC000562035047 505497720 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FGADHM Cc1cc(C)c(-c2cc(=NC(=O)CC[C@@]3(C)CCC(=O)N3)[nH][n-]2)cc1C ZINC000543371316 518053343 /nfs/dbraw/zinc/05/33/43/518053343.db2.gz PEGSOENGLAVKIJ-FQEVSTJZSA-N -1 3 354.454 3.389 20 0 FGADHM CCN(CC)C[C@@H](C)NC(=O)N=c1[n-]nc(Cc2ccc(F)cc2)s1 ZINC000517372977 518131435 /nfs/dbraw/zinc/13/14/35/518131435.db2.gz JVZDUCZYKVHFJI-GFCCVEGCSA-N -1 3 365.478 3.120 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@@H](C)n2nnc(-c3ccccc3)n2)c1-c1ccccc1 ZINC000608359436 519947981 /nfs/dbraw/zinc/94/79/81/519947981.db2.gz QUWUNTQZLMBAHE-CQSZACIVSA-N -1 3 373.420 3.238 20 0 FGADHM Cc1nn(Cc2ccccc2)c(C)c1C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000616827073 520165094 /nfs/dbraw/zinc/16/50/94/520165094.db2.gz YRWIWSDOUVCFTH-KRWDZBQOSA-N -1 3 365.437 3.375 20 0 FGADHM CCCc1n[n-]c(=NC(=O)N2CCN(C3CCC(C)CC3)CC2)s1 ZINC000604610792 520620211 /nfs/dbraw/zinc/62/02/11/520620211.db2.gz BHZNLXQXODZVMG-UHFFFAOYSA-N -1 3 351.520 3.219 20 0 FGADHM O=C(Cc1csc(-c2ccoc2)n1)N=c1cc(-c2ccncc2)[n-][nH]1 ZINC000606531754 521092236 /nfs/dbraw/zinc/09/22/36/521092236.db2.gz UFDANAKOGGJOFI-UHFFFAOYSA-N -1 3 351.391 3.369 20 0 FGADHM COc1cccc(-c2c(C)[n-][nH]c2=NC(=O)c2cnn3c2CCCC3)c1 ZINC000629694331 522396487 /nfs/dbraw/zinc/39/64/87/522396487.db2.gz UMSJHPARVASANW-UHFFFAOYSA-N -1 3 351.410 3.179 20 0 FGADHM COc1cccc(-c2c(C)[n-][nH]c2=NC(=O)[C@H](C)c2c(C)n[nH]c2C)c1 ZINC000629694564 522397677 /nfs/dbraw/zinc/39/76/77/522397677.db2.gz XSCCBOGIESHGEG-SNVBAGLBSA-N -1 3 353.426 3.476 20 0 FGADHM CCNc1ncc(C(=O)[N-]c2cc3c(cc2SC)OCCO3)s1 ZINC000625059352 523133879 /nfs/dbraw/zinc/13/38/79/523133879.db2.gz SKMMYLXULFMVBK-UHFFFAOYSA-N -1 3 351.453 3.320 20 0 FGADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)[C@@H]1COC[C@@H]1c1ccccc1 ZINC000622888112 523529900 /nfs/dbraw/zinc/52/99/00/523529900.db2.gz TXRAOYXNPIMUOO-VXGBXAGGSA-N -1 3 373.762 3.468 20 0 FGADHM O=C(N=c1cc(-c2cccc(Cl)c2)[n-][nH]1)c1ccc2c(c1)NC(=O)CO2 ZINC000622892410 523534610 /nfs/dbraw/zinc/53/46/10/523534610.db2.gz OQKDJYSJVMZHKS-UHFFFAOYSA-N -1 3 368.780 3.313 20 0 FGADHM C[C@H](CNC(=O)N=c1[n-]nc(-c2c(F)cccc2Cl)s1)N(C)C ZINC000481889078 561244775 /nfs/dbraw/zinc/24/47/75/561244775.db2.gz GNFHJQUXQJSJHY-MRVPVSSYSA-N -1 3 357.842 3.069 20 0 FGADHM CC(C)(C)C[C@H](O)CNC(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482161131 561249403 /nfs/dbraw/zinc/24/94/03/561249403.db2.gz VUPQMKDJZXFGOO-LBPRGKRZSA-N -1 3 369.263 3.015 20 0 FGADHM Cc1nc(-c2ccccc2)ncc1C(=O)N=c1cc(OC(F)F)n(C)[n-]1 ZINC000490966875 561441094 /nfs/dbraw/zinc/44/10/94/561441094.db2.gz IGZSXOJVEHTTCE-UHFFFAOYSA-N -1 3 359.336 3.039 20 0 FGADHM COc1ccc(CCCC(=O)N=c2cc(OC(F)F)n(C)[n-]2)c(OC)c1 ZINC000490969959 561441202 /nfs/dbraw/zinc/44/12/02/561441202.db2.gz IOACQDZFSNSXIJ-UHFFFAOYSA-N -1 3 369.368 3.000 20 0 FGADHM CCN1CCO[C@@H](C(=O)N=c2cc(-c3cc(Cl)cc(Cl)c3)[n-][nH]2)C1 ZINC000493958953 561460015 /nfs/dbraw/zinc/46/00/15/561460015.db2.gz XRNKIQQRLCUWIL-CQSZACIVSA-N -1 3 369.252 3.043 20 0 FGADHM CCN=c1[n-]c(C(=O)N[C@H]2CCN(C)[C@H]2c2ccc(F)c(F)c2)cs1 ZINC000497893239 561510727 /nfs/dbraw/zinc/51/07/27/561510727.db2.gz PVMGUKYIOXFZNA-ZFWWWQNUSA-N -1 3 366.437 3.028 20 0 FGADHM C[C@@H](Cc1cnc2ccccc2n1)C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000515774550 562021613 /nfs/dbraw/zinc/02/16/13/562021613.db2.gz QLKJUFLPHFZHBF-SJCJKPOMSA-N -1 3 351.410 3.022 20 0 FGADHM O=S(=O)([N-]Cc1cnn(-c2ccccc2)c1)c1ccc(Cl)s1 ZINC000247320740 568056309 /nfs/dbraw/zinc/05/63/09/568056309.db2.gz LRPPJFJDERBDHR-UHFFFAOYSA-N -1 3 353.856 3.066 20 0 FGADHM C[C@@]1(c2ccccc2)CCCN(c2nc3c(cc2-c2nnn[n-]2)CCC3)C1 ZINC000736227038 598829842 /nfs/dbraw/zinc/82/98/42/598829842.db2.gz BUDVDDPCEBWDIF-OAQYLSRUSA-N -1 3 360.465 3.309 20 0 FGADHM C[C@@]1(c2ccccc2)CCCN(c2nc3c(cc2-c2nn[n-]n2)CCC3)C1 ZINC000736227038 598829844 /nfs/dbraw/zinc/82/98/44/598829844.db2.gz BUDVDDPCEBWDIF-OAQYLSRUSA-N -1 3 360.465 3.309 20 0 FGADHM CC(C)[C@H](Cc1ccccc1)C(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000735712872 598830768 /nfs/dbraw/zinc/83/07/68/598830768.db2.gz VHAYMTIYIOIZRF-IBGZPJMESA-N -1 3 363.465 3.340 20 0 FGADHM CC(C)[C@H](Cc1ccccc1)C(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000735712872 598830769 /nfs/dbraw/zinc/83/07/69/598830769.db2.gz VHAYMTIYIOIZRF-IBGZPJMESA-N -1 3 363.465 3.340 20 0 FGADHM Cc1nn(-c2ccc(-c3nn[n-]n3)cc2)c(NC(=O)C2CCCCC2)c1C ZINC000737504218 598840930 /nfs/dbraw/zinc/84/09/30/598840930.db2.gz XMRNUNUTHBHXJO-UHFFFAOYSA-N -1 3 365.441 3.188 20 0 FGADHM Cc1nnc(Nc2ccc(COC3CCCC3)cc2)c(-c2nnn[n-]2)c1C ZINC000737535119 598858890 /nfs/dbraw/zinc/85/88/90/598858890.db2.gz ZEIUVHCIQRTKNX-UHFFFAOYSA-N -1 3 365.441 3.476 20 0 FGADHM Cc1nnc(Nc2ccc(COC3CCCC3)cc2)c(-c2nn[n-]n2)c1C ZINC000737535119 598858891 /nfs/dbraw/zinc/85/88/91/598858891.db2.gz ZEIUVHCIQRTKNX-UHFFFAOYSA-N -1 3 365.441 3.476 20 0 FGADHM c1ccc2c(c1)CCC[C@@H]2OCCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000738441632 598870256 /nfs/dbraw/zinc/87/02/56/598870256.db2.gz LPHUPVDCAXWXGV-KRWDZBQOSA-N -1 3 350.426 3.158 20 0 FGADHM c1ccc2c(c1)CCC[C@@H]2OCCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000738441632 598870258 /nfs/dbraw/zinc/87/02/58/598870258.db2.gz LPHUPVDCAXWXGV-KRWDZBQOSA-N -1 3 350.426 3.158 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NC1(c2cccc(F)c2)CC1 ZINC000737294936 598905582 /nfs/dbraw/zinc/90/55/82/598905582.db2.gz UDFFCOSTCKSCQV-UHFFFAOYSA-N -1 3 352.373 3.125 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NC1(c2cccc(F)c2)CC1 ZINC000737294936 598905584 /nfs/dbraw/zinc/90/55/84/598905584.db2.gz UDFFCOSTCKSCQV-UHFFFAOYSA-N -1 3 352.373 3.125 20 0 FGADHM C[C@H]1CCCC[C@@H]1CCNC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000736258882 598906978 /nfs/dbraw/zinc/90/69/78/598906978.db2.gz CCKAFPIGOSVNNR-GOEBONIOSA-N -1 3 373.526 3.433 20 0 FGADHM C[C@H]1CCCC[C@@H]1CCNC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000736258882 598906980 /nfs/dbraw/zinc/90/69/80/598906980.db2.gz CCKAFPIGOSVNNR-GOEBONIOSA-N -1 3 373.526 3.433 20 0 FGADHM Cc1cccc([C@@H](C)C(=O)O[C@@H](C)COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737390894 598909992 /nfs/dbraw/zinc/90/99/92/598909992.db2.gz WNTNPKKPSQPJKA-LSDHHAIUSA-N -1 3 366.421 3.289 20 0 FGADHM Cc1cccc([C@@H](C)C(=O)O[C@@H](C)COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737390894 598909994 /nfs/dbraw/zinc/90/99/94/598909994.db2.gz WNTNPKKPSQPJKA-LSDHHAIUSA-N -1 3 366.421 3.289 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N[C@@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000738152001 598913414 /nfs/dbraw/zinc/91/34/14/598913414.db2.gz OGMPRDHFHMMCMG-SMDDNHRTSA-N -1 3 372.791 3.337 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N[C@@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000738152001 598913415 /nfs/dbraw/zinc/91/34/15/598913415.db2.gz OGMPRDHFHMMCMG-SMDDNHRTSA-N -1 3 372.791 3.337 20 0 FGADHM C[C@](O)(CNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccccc1 ZINC000736143705 598913715 /nfs/dbraw/zinc/91/37/15/598913715.db2.gz VNRGFMOVACKNEH-INIZCTEOSA-N -1 3 363.343 3.205 20 0 FGADHM C[C@](O)(CNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccccc1 ZINC000736143705 598913717 /nfs/dbraw/zinc/91/37/17/598913717.db2.gz VNRGFMOVACKNEH-INIZCTEOSA-N -1 3 363.343 3.205 20 0 FGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N1CCC[C@@]2(CC=CCC2)C1 ZINC000737941494 598913802 /nfs/dbraw/zinc/91/38/02/598913802.db2.gz DAUGNOZPBDQSQQ-IBGZPJMESA-N -1 3 369.494 3.308 20 0 FGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N1CCC[C@@]2(CC=CCC2)C1 ZINC000737941494 598913804 /nfs/dbraw/zinc/91/38/04/598913804.db2.gz DAUGNOZPBDQSQQ-IBGZPJMESA-N -1 3 369.494 3.308 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N1CCC[C@@]2(CC=CCC2)C1 ZINC000738164412 598923870 /nfs/dbraw/zinc/92/38/70/598923870.db2.gz ZFQDBNKMMKWXNE-SFHVURJKSA-N -1 3 356.405 3.360 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N1CCC[C@@]2(CC=CCC2)C1 ZINC000738164412 598923871 /nfs/dbraw/zinc/92/38/71/598923871.db2.gz ZFQDBNKMMKWXNE-SFHVURJKSA-N -1 3 356.405 3.360 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N1CCC[C@]2(CC=CCC2)C1 ZINC000738164411 598924218 /nfs/dbraw/zinc/92/42/18/598924218.db2.gz ZFQDBNKMMKWXNE-GOSISDBHSA-N -1 3 356.405 3.360 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N1CCC[C@]2(CC=CCC2)C1 ZINC000738164411 598924219 /nfs/dbraw/zinc/92/42/19/598924219.db2.gz ZFQDBNKMMKWXNE-GOSISDBHSA-N -1 3 356.405 3.360 20 0 FGADHM CN(Cc1ccc(OC(F)F)cc1)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000736819862 598934654 /nfs/dbraw/zinc/93/46/54/598934654.db2.gz QQBOOLGDOCPUQA-UHFFFAOYSA-N -1 3 366.759 3.153 20 0 FGADHM CN(Cc1ccc(OC(F)F)cc1)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000736819862 598934656 /nfs/dbraw/zinc/93/46/56/598934656.db2.gz QQBOOLGDOCPUQA-UHFFFAOYSA-N -1 3 366.759 3.153 20 0 FGADHM O=C(Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1)C1CC=CC1 ZINC000738171103 598941698 /nfs/dbraw/zinc/94/16/98/598941698.db2.gz AVHJNNSGTZGLBJ-UHFFFAOYSA-N -1 3 361.405 3.350 20 0 FGADHM O=C(Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1)C1CC=CC1 ZINC000738171103 598941700 /nfs/dbraw/zinc/94/17/00/598941700.db2.gz AVHJNNSGTZGLBJ-UHFFFAOYSA-N -1 3 361.405 3.350 20 0 FGADHM C[C@H](OC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1)C1CC1 ZINC000736163034 598967793 /nfs/dbraw/zinc/96/77/93/598967793.db2.gz LFADKKYKQNLYJL-ZDUSSCGKSA-N -1 3 364.405 3.401 20 0 FGADHM C[C@H](OC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1)C1CC1 ZINC000736163034 598967794 /nfs/dbraw/zinc/96/77/94/598967794.db2.gz LFADKKYKQNLYJL-ZDUSSCGKSA-N -1 3 364.405 3.401 20 0 FGADHM Cc1c(NCc2cc(=O)oc3cc4c(cc23)CCC4)cccc1-c1nnn[n-]1 ZINC000822123070 607256915 /nfs/dbraw/zinc/25/69/15/607256915.db2.gz UIBYZIJZNGSWHF-UHFFFAOYSA-N -1 3 373.416 3.382 20 0 FGADHM Cc1c(NCc2cc(=O)oc3cc4c(cc23)CCC4)cccc1-c1nn[n-]n1 ZINC000822123070 607256916 /nfs/dbraw/zinc/25/69/16/607256916.db2.gz UIBYZIJZNGSWHF-UHFFFAOYSA-N -1 3 373.416 3.382 20 0 FGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)C[C@H]1CCc2ccccc21 ZINC000735659788 599014974 /nfs/dbraw/zinc/01/49/74/599014974.db2.gz FCJULPAVWLYFOS-CQSZACIVSA-N -1 3 364.453 3.482 20 0 FGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)C[C@H]1CCc2ccccc21 ZINC000735659788 599014976 /nfs/dbraw/zinc/01/49/76/599014976.db2.gz FCJULPAVWLYFOS-CQSZACIVSA-N -1 3 364.453 3.482 20 0 FGADHM CCN(C(=S)Nc1ccccc1-c1nnn[n-]1)[C@@H](C)c1cccnc1 ZINC000736509337 599013784 /nfs/dbraw/zinc/01/37/84/599013784.db2.gz VDKBBKRTUOXMRS-LBPRGKRZSA-N -1 3 353.455 3.042 20 0 FGADHM CCN(C(=S)Nc1ccccc1-c1nn[n-]n1)[C@@H](C)c1cccnc1 ZINC000736509337 599013786 /nfs/dbraw/zinc/01/37/86/599013786.db2.gz VDKBBKRTUOXMRS-LBPRGKRZSA-N -1 3 353.455 3.042 20 0 FGADHM CC[C@@H](NC(=S)N(C)Cc1ccc(-c2nnn[n-]2)cc1)c1cccs1 ZINC000736369215 599014020 /nfs/dbraw/zinc/01/40/20/599014020.db2.gz HAYAIOPQCYGNNG-CQSZACIVSA-N -1 3 372.523 3.386 20 0 FGADHM CC[C@@H](NC(=S)N(C)Cc1ccc(-c2nn[n-]n2)cc1)c1cccs1 ZINC000736369215 599014021 /nfs/dbraw/zinc/01/40/21/599014021.db2.gz HAYAIOPQCYGNNG-CQSZACIVSA-N -1 3 372.523 3.386 20 0 FGADHM Cc1cccc([C@@H](C)NC(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)c1C ZINC000737391285 599018969 /nfs/dbraw/zinc/01/89/69/599018969.db2.gz ZKOJSPIFFQVIGI-CABCVRRESA-N -1 3 365.437 3.128 20 0 FGADHM CC(C)(C)Oc1ccccc1NC(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC000735639879 599036772 /nfs/dbraw/zinc/03/67/72/599036772.db2.gz RXXYQNHMIBROLE-UHFFFAOYSA-N -1 3 366.425 3.095 20 0 FGADHM O[C@@H](CNc1ccc(-c2nnn[n-]2)c(Cl)c1)c1c(F)cccc1Cl ZINC000738381527 599044596 /nfs/dbraw/zinc/04/45/96/599044596.db2.gz HPVLSBTXTFBFLK-ZDUSSCGKSA-N -1 3 368.199 3.458 20 0 FGADHM O[C@@H](CNc1ccc(-c2nn[n-]n2)c(Cl)c1)c1c(F)cccc1Cl ZINC000738381527 599044598 /nfs/dbraw/zinc/04/45/98/599044598.db2.gz HPVLSBTXTFBFLK-ZDUSSCGKSA-N -1 3 368.199 3.458 20 0 FGADHM O[C@H](CNc1ccc(-c2nnn[n-]2)c(Cl)c1)c1c(F)cccc1Cl ZINC000738381525 599045326 /nfs/dbraw/zinc/04/53/26/599045326.db2.gz HPVLSBTXTFBFLK-CYBMUJFWSA-N -1 3 368.199 3.458 20 0 FGADHM O[C@H](CNc1ccc(-c2nn[n-]n2)c(Cl)c1)c1c(F)cccc1Cl ZINC000738381525 599045328 /nfs/dbraw/zinc/04/53/28/599045328.db2.gz HPVLSBTXTFBFLK-CYBMUJFWSA-N -1 3 368.199 3.458 20 0 FGADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(N2CCC[C@H]2c2ccccn2)n1 ZINC000737634223 599047812 /nfs/dbraw/zinc/04/78/12/599047812.db2.gz ZGRRQJRSHGBDLM-LBPRGKRZSA-N -1 3 361.331 3.017 20 0 FGADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(N2CCC[C@H]2c2ccccn2)n1 ZINC000737634223 599047815 /nfs/dbraw/zinc/04/78/15/599047815.db2.gz ZGRRQJRSHGBDLM-LBPRGKRZSA-N -1 3 361.331 3.017 20 0 FGADHM COc1cc(CNc2nc(C)cc(C)c2-c2nnn[n-]2)c2ccccc2n1 ZINC000821717718 599062374 /nfs/dbraw/zinc/06/23/74/599062374.db2.gz VTNIYKGZAVMOOD-UHFFFAOYSA-N -1 3 361.409 3.047 20 0 FGADHM COc1cc(CNc2nc(C)cc(C)c2-c2nn[n-]n2)c2ccccc2n1 ZINC000821717718 599062377 /nfs/dbraw/zinc/06/23/77/599062377.db2.gz VTNIYKGZAVMOOD-UHFFFAOYSA-N -1 3 361.409 3.047 20 0 FGADHM C[C@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000736192940 599063320 /nfs/dbraw/zinc/06/33/20/599063320.db2.gz NZXGFPVOXWZKFW-MJVIPROJSA-N -1 3 363.462 3.181 20 0 FGADHM C[C@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000736192940 599063323 /nfs/dbraw/zinc/06/33/23/599063323.db2.gz NZXGFPVOXWZKFW-MJVIPROJSA-N -1 3 363.462 3.181 20 0 FGADHM Fc1ccc(-c2noc(CSc3ccc(-c4nnn[n-]4)cc3F)n2)cc1 ZINC000737651212 599064468 /nfs/dbraw/zinc/06/44/68/599064468.db2.gz QYYZYRLAKLHBMR-UHFFFAOYSA-N -1 3 372.360 3.487 20 0 FGADHM Fc1ccc(-c2noc(CSc3ccc(-c4nn[n-]n4)cc3F)n2)cc1 ZINC000737651212 599064471 /nfs/dbraw/zinc/06/44/71/599064471.db2.gz QYYZYRLAKLHBMR-UHFFFAOYSA-N -1 3 372.360 3.487 20 0 FGADHM Cc1cc(C)c(-c2nnn[n-]2)c(NC[C@@H](C)Oc2ccccc2Cl)n1 ZINC000822192772 599065027 /nfs/dbraw/zinc/06/50/27/599065027.db2.gz AGPFTEWMUOZTMR-GFCCVEGCSA-N -1 3 358.833 3.411 20 0 FGADHM Cc1cc(C)c(-c2nn[n-]n2)c(NC[C@@H](C)Oc2ccccc2Cl)n1 ZINC000822192772 599065029 /nfs/dbraw/zinc/06/50/29/599065029.db2.gz AGPFTEWMUOZTMR-GFCCVEGCSA-N -1 3 358.833 3.411 20 0 FGADHM Cc1ccccc1O[C@H](C)CNc1c(-c2nnn[n-]2)cnc2ccccc21 ZINC000822366791 599065573 /nfs/dbraw/zinc/06/55/73/599065573.db2.gz SPOHNTKFIQHQDQ-CQSZACIVSA-N -1 3 360.421 3.025 20 0 FGADHM Cc1ccccc1O[C@H](C)CNc1c(-c2nn[n-]n2)cnc2ccccc21 ZINC000822366791 599065574 /nfs/dbraw/zinc/06/55/74/599065574.db2.gz SPOHNTKFIQHQDQ-CQSZACIVSA-N -1 3 360.421 3.025 20 0 FGADHM Cc1cccc2c(CCC(=O)N[C@H](C)c3ccc(-c4nnn[n-]4)cc3)c[nH]c21 ZINC000737408697 599069067 /nfs/dbraw/zinc/06/90/67/599069067.db2.gz KHJTXSKAAQHDLB-CQSZACIVSA-N -1 3 374.448 3.466 20 0 FGADHM Cc1cccc2c(CCC(=O)N[C@H](C)c3ccc(-c4nn[n-]n4)cc3)c[nH]c21 ZINC000737408697 599069070 /nfs/dbraw/zinc/06/90/70/599069070.db2.gz KHJTXSKAAQHDLB-CQSZACIVSA-N -1 3 374.448 3.466 20 0 FGADHM C[C@@H](CNc1cc(-c2nnn[n-]2)c2ccccc2n1)Oc1ccc(F)cc1 ZINC000820273919 599069197 /nfs/dbraw/zinc/06/91/97/599069197.db2.gz ADQCQLQFMNUTKX-LBPRGKRZSA-N -1 3 364.384 3.433 20 0 FGADHM C[C@@H](CNc1cc(-c2nn[n-]n2)c2ccccc2n1)Oc1ccc(F)cc1 ZINC000820273919 599069200 /nfs/dbraw/zinc/06/92/00/599069200.db2.gz ADQCQLQFMNUTKX-LBPRGKRZSA-N -1 3 364.384 3.433 20 0 FGADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1C[C@H](C)CCC[C@@H]1C ZINC000736244576 599086662 /nfs/dbraw/zinc/08/66/62/599086662.db2.gz KFXITWDXYNJOJY-VKJFTORMSA-N -1 3 371.485 3.307 20 0 FGADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1C[C@H](C)CCC[C@@H]1C ZINC000736244576 599086665 /nfs/dbraw/zinc/08/66/65/599086665.db2.gz KFXITWDXYNJOJY-VKJFTORMSA-N -1 3 371.485 3.307 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N1CCSC[C@@H]1c1ccccc1 ZINC000738152481 599105080 /nfs/dbraw/zinc/10/50/80/599105080.db2.gz VHYHXZGLWQABIG-MRXNPFEDSA-N -1 3 366.450 3.189 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N1CCSC[C@@H]1c1ccccc1 ZINC000738152481 599105082 /nfs/dbraw/zinc/10/50/82/599105082.db2.gz VHYHXZGLWQABIG-MRXNPFEDSA-N -1 3 366.450 3.189 20 0 FGADHM C[C@@H](NC(=O)[C@H](C)Sc1ccccc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000736193684 599108538 /nfs/dbraw/zinc/10/85/38/599108538.db2.gz RREAUVSHPAHXDS-NEPJUHHUSA-N -1 3 371.441 3.364 20 0 FGADHM C[C@@H](NC(=O)[C@H](C)Sc1ccccc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000736193684 599108540 /nfs/dbraw/zinc/10/85/40/599108540.db2.gz RREAUVSHPAHXDS-NEPJUHHUSA-N -1 3 371.441 3.364 20 0 FGADHM COc1ccc(CN(Cc2ccccc2)c2ncccc2-c2nnn[n-]2)cc1 ZINC000737091190 599120467 /nfs/dbraw/zinc/12/04/67/599120467.db2.gz QKSGXZKLFKHCAZ-UHFFFAOYSA-N -1 3 372.432 3.477 20 0 FGADHM COc1ccc(CN(Cc2ccccc2)c2ncccc2-c2nn[n-]n2)cc1 ZINC000737091190 599120469 /nfs/dbraw/zinc/12/04/69/599120469.db2.gz QKSGXZKLFKHCAZ-UHFFFAOYSA-N -1 3 372.432 3.477 20 0 FGADHM CCOc1ccccc1OCCSc1nc(C)cc(C)c1-c1nnn[n-]1 ZINC000821438245 599123054 /nfs/dbraw/zinc/12/30/54/599123054.db2.gz WKKAIJGXBRPIPC-UHFFFAOYSA-N -1 3 371.466 3.448 20 0 FGADHM CCOc1ccccc1OCCSc1nc(C)cc(C)c1-c1nn[n-]n1 ZINC000821438245 599123058 /nfs/dbraw/zinc/12/30/58/599123058.db2.gz WKKAIJGXBRPIPC-UHFFFAOYSA-N -1 3 371.466 3.448 20 0 FGADHM O=C(c1cccc(F)c1Cl)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000823493715 599138097 /nfs/dbraw/zinc/13/80/97/599138097.db2.gz STLPMGKCLCKHGG-UHFFFAOYSA-N -1 3 371.803 3.464 20 0 FGADHM O=C(c1cccc(F)c1Cl)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000823493715 599138100 /nfs/dbraw/zinc/13/81/00/599138100.db2.gz STLPMGKCLCKHGG-UHFFFAOYSA-N -1 3 371.803 3.464 20 0 FGADHM C[C@H](CCc1ccccc1F)C(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000820254524 599139412 /nfs/dbraw/zinc/13/94/12/599139412.db2.gz QNBPKUFACWXYSI-CQSZACIVSA-N -1 3 367.428 3.233 20 0 FGADHM C[C@H](CCc1ccccc1F)C(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000820254524 599139413 /nfs/dbraw/zinc/13/94/13/599139413.db2.gz QNBPKUFACWXYSI-CQSZACIVSA-N -1 3 367.428 3.233 20 0 FGADHM CCN(C(=O)Nc1cc(-c2nnn[n-]2)ccc1C)[C@H](C)c1cccnc1 ZINC000736506395 599145460 /nfs/dbraw/zinc/14/54/60/599145460.db2.gz XCTAEYHIIXVLBT-CYBMUJFWSA-N -1 3 351.414 3.185 20 0 FGADHM CCN(C(=O)Nc1cc(-c2nn[n-]n2)ccc1C)[C@H](C)c1cccnc1 ZINC000736506395 599145463 /nfs/dbraw/zinc/14/54/63/599145463.db2.gz XCTAEYHIIXVLBT-CYBMUJFWSA-N -1 3 351.414 3.185 20 0 FGADHM O=[S@@](Cc1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)c(Cl)c1 ZINC000823612834 599154036 /nfs/dbraw/zinc/15/40/36/599154036.db2.gz DDDRRYYXHLFNQA-QFIPXVFZSA-N -1 3 353.234 3.481 20 0 FGADHM O=[S@@](Cc1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)c(Cl)c1 ZINC000823612834 599154040 /nfs/dbraw/zinc/15/40/40/599154040.db2.gz DDDRRYYXHLFNQA-QFIPXVFZSA-N -1 3 353.234 3.481 20 0 FGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=S)NC(C1CC1)C1CC1 ZINC000735873487 599157717 /nfs/dbraw/zinc/15/77/17/599157717.db2.gz FLEKCBWQPFWLMK-UHFFFAOYSA-N -1 3 370.526 3.140 20 0 FGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=S)NC(C1CC1)C1CC1 ZINC000735873487 599157722 /nfs/dbraw/zinc/15/77/22/599157722.db2.gz FLEKCBWQPFWLMK-UHFFFAOYSA-N -1 3 370.526 3.140 20 0 FGADHM O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1sccc1-c1nnn[n-]1 ZINC000823218798 599158871 /nfs/dbraw/zinc/15/88/71/599158871.db2.gz ABWHWYNNNLPLRH-UHFFFAOYSA-N -1 3 372.841 3.035 20 0 FGADHM O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1sccc1-c1nn[n-]n1 ZINC000823218798 599158872 /nfs/dbraw/zinc/15/88/72/599158872.db2.gz ABWHWYNNNLPLRH-UHFFFAOYSA-N -1 3 372.841 3.035 20 0 FGADHM c1ccc(CSCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)cc1 ZINC000738432543 599160961 /nfs/dbraw/zinc/16/09/61/599160961.db2.gz IORBWYKDMVRQGG-UHFFFAOYSA-N -1 3 350.407 3.350 20 0 FGADHM c1ccc(CSCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)cc1 ZINC000738432543 599160963 /nfs/dbraw/zinc/16/09/63/599160963.db2.gz IORBWYKDMVRQGG-UHFFFAOYSA-N -1 3 350.407 3.350 20 0 FGADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCC[C@@H](C(C)(C)C)CC1 ZINC000736170595 599162106 /nfs/dbraw/zinc/16/21/06/599162106.db2.gz QRRYACZLFICGOR-GOEBONIOSA-N -1 3 371.485 3.309 20 0 FGADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCC[C@H](C(C)(C)C)CC1 ZINC000736170597 599162291 /nfs/dbraw/zinc/16/22/91/599162291.db2.gz QRRYACZLFICGOR-HOCLYGCPSA-N -1 3 371.485 3.309 20 0 FGADHM Fc1ccc(SCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)cc1F ZINC000737657488 599163299 /nfs/dbraw/zinc/16/32/99/599163299.db2.gz WAQNUCQHDBYPLA-UHFFFAOYSA-N -1 3 372.360 3.487 20 0 FGADHM Fc1ccc(SCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)cc1F ZINC000737657488 599163300 /nfs/dbraw/zinc/16/33/00/599163300.db2.gz WAQNUCQHDBYPLA-UHFFFAOYSA-N -1 3 372.360 3.487 20 0 FGADHM CC(C)(C)C1CCN(C(=O)CSc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000735596633 599167906 /nfs/dbraw/zinc/16/79/06/599167906.db2.gz LDPZHPAOKICQAM-UHFFFAOYSA-N -1 3 359.499 3.244 20 0 FGADHM CC(C)(C)C1CCN(C(=O)CSc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735596633 599167907 /nfs/dbraw/zinc/16/79/07/599167907.db2.gz LDPZHPAOKICQAM-UHFFFAOYSA-N -1 3 359.499 3.244 20 0 FGADHM CC(C)(C)c1ccc([C@H](O)CNc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000735648825 599170916 /nfs/dbraw/zinc/17/09/16/599170916.db2.gz HVRZQADKZHCXIG-MRXNPFEDSA-N -1 3 355.417 3.449 20 0 FGADHM CC(C)(C)c1ccc([C@H](O)CNc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000735648825 599170919 /nfs/dbraw/zinc/17/09/19/599170919.db2.gz HVRZQADKZHCXIG-MRXNPFEDSA-N -1 3 355.417 3.449 20 0 FGADHM Fc1cccc(N2CCC[C@@H](Nc3ncc(-c4nnn[n-]4)cc3Cl)C2)c1 ZINC000737662234 599172108 /nfs/dbraw/zinc/17/21/08/599172108.db2.gz SCTVCZBZYGJTMB-CYBMUJFWSA-N -1 3 373.823 3.135 20 0 FGADHM Fc1cccc(N2CCC[C@@H](Nc3ncc(-c4nn[n-]n4)cc3Cl)C2)c1 ZINC000737662234 599172111 /nfs/dbraw/zinc/17/21/11/599172111.db2.gz SCTVCZBZYGJTMB-CYBMUJFWSA-N -1 3 373.823 3.135 20 0 FGADHM Cc1cnc([C@H](NC(=S)Nc2ccccc2-c2nnn[n-]2)C2CC2)s1 ZINC000737445959 599173762 /nfs/dbraw/zinc/17/37/62/599173762.db2.gz MLDNDCRDQMTKJW-CYBMUJFWSA-N -1 3 371.495 3.069 20 0 FGADHM Cc1cnc([C@H](NC(=S)Nc2ccccc2-c2nn[n-]n2)C2CC2)s1 ZINC000737445959 599173766 /nfs/dbraw/zinc/17/37/66/599173766.db2.gz MLDNDCRDQMTKJW-CYBMUJFWSA-N -1 3 371.495 3.069 20 0 FGADHM C[C@H]1CCC[C@H](NC(=O)c2c(Cl)cc(-c3nnn[n-]3)cc2Cl)C1 ZINC000824927106 607833275 /nfs/dbraw/zinc/83/32/75/607833275.db2.gz MPASKHPUSZCDQX-WPRPVWTQSA-N -1 3 354.241 3.482 20 0 FGADHM C[C@H]1CCC[C@H](NC(=O)c2c(Cl)cc(-c3nn[n-]n3)cc2Cl)C1 ZINC000824927106 607833276 /nfs/dbraw/zinc/83/32/76/607833276.db2.gz MPASKHPUSZCDQX-WPRPVWTQSA-N -1 3 354.241 3.482 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cc(C(C)(C)C)on1 ZINC000736482227 599182400 /nfs/dbraw/zinc/18/24/00/599182400.db2.gz YKWUCXOZXJVVGW-UHFFFAOYSA-N -1 3 368.441 3.205 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cc(C(C)(C)C)on1 ZINC000736482227 599182402 /nfs/dbraw/zinc/18/24/02/599182402.db2.gz YKWUCXOZXJVVGW-UHFFFAOYSA-N -1 3 368.441 3.205 20 0 FGADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1F)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000738232489 599186905 /nfs/dbraw/zinc/18/69/05/599186905.db2.gz RICWJROYKSMUQO-RYUDHWBXSA-N -1 3 374.322 3.131 20 0 FGADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1F)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000738232489 599186906 /nfs/dbraw/zinc/18/69/06/599186906.db2.gz RICWJROYKSMUQO-RYUDHWBXSA-N -1 3 374.322 3.131 20 0 FGADHM O=C(OCc1cc(-c2nnn[n-]2)ccc1F)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000738236894 599187709 /nfs/dbraw/zinc/18/77/09/599187709.db2.gz UJGRKRZKXJFWPS-NWDGAFQWSA-N -1 3 374.322 3.131 20 0 FGADHM O=C(OCc1cc(-c2nn[n-]n2)ccc1F)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000738236894 599187712 /nfs/dbraw/zinc/18/77/12/599187712.db2.gz UJGRKRZKXJFWPS-NWDGAFQWSA-N -1 3 374.322 3.131 20 0 FGADHM Cc1cccc([C@@H]2CCCCN2C(=O)c2ccc(-c3nnn[n-]3)cn2)c1C ZINC000822299493 599202550 /nfs/dbraw/zinc/20/25/50/599202550.db2.gz KRGDRQLKHYNPJH-SFHVURJKSA-N -1 3 362.437 3.246 20 0 FGADHM Cc1cccc([C@@H]2CCCCN2C(=O)c2ccc(-c3nn[n-]n3)cn2)c1C ZINC000822299493 599202552 /nfs/dbraw/zinc/20/25/52/599202552.db2.gz KRGDRQLKHYNPJH-SFHVURJKSA-N -1 3 362.437 3.246 20 0 FGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)NCCCCC1CCCC1 ZINC000823066365 599208203 /nfs/dbraw/zinc/20/82/03/599208203.db2.gz WJXVSJCYXLUDDF-UHFFFAOYSA-N -1 3 359.499 3.436 20 0 FGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)NCCCCC1CCCC1 ZINC000823066365 599208206 /nfs/dbraw/zinc/20/82/06/599208206.db2.gz WJXVSJCYXLUDDF-UHFFFAOYSA-N -1 3 359.499 3.436 20 0 FGADHM C[C@@H](CNC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccc(F)cc1F ZINC000820260499 599210937 /nfs/dbraw/zinc/21/09/37/599210937.db2.gz HMWOUMCHGWRQJL-LZGFCCKTSA-N -1 3 369.375 3.078 20 0 FGADHM C[C@@H](CNC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC000820260499 599210939 /nfs/dbraw/zinc/21/09/39/599210939.db2.gz HMWOUMCHGWRQJL-LZGFCCKTSA-N -1 3 369.375 3.078 20 0 FGADHM CSCC(=O)N(Cc1ccc(Cl)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000737178952 599211069 /nfs/dbraw/zinc/21/10/69/599211069.db2.gz GMBLBYMVAZKVLC-UHFFFAOYSA-N -1 3 373.869 3.416 20 0 FGADHM CSCC(=O)N(Cc1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000737178952 599211071 /nfs/dbraw/zinc/21/10/71/599211071.db2.gz GMBLBYMVAZKVLC-UHFFFAOYSA-N -1 3 373.869 3.416 20 0 FGADHM CC[C@H]1CCCN(C(=O)[C@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)CC1 ZINC000736400141 599224524 /nfs/dbraw/zinc/22/45/24/599224524.db2.gz MJLQGYIQSSKCIV-MAUKXSAKSA-N -1 3 371.485 3.309 20 0 FGADHM CC[C@H]1CCCN(C(=O)[C@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)CC1 ZINC000736400141 599224525 /nfs/dbraw/zinc/22/45/25/599224525.db2.gz MJLQGYIQSSKCIV-MAUKXSAKSA-N -1 3 371.485 3.309 20 0 FGADHM CCOc1cccc(NC(=S)Nc2cc(-c3nnn[n-]3)ccc2OC)c1 ZINC000821431584 599226089 /nfs/dbraw/zinc/22/60/89/599226089.db2.gz WNFQZWLXCIKMRG-UHFFFAOYSA-N -1 3 370.438 3.083 20 0 FGADHM CCOc1cccc(NC(=S)Nc2cc(-c3nn[n-]n3)ccc2OC)c1 ZINC000821431584 599226091 /nfs/dbraw/zinc/22/60/91/599226091.db2.gz WNFQZWLXCIKMRG-UHFFFAOYSA-N -1 3 370.438 3.083 20 0 FGADHM Cc1ccc(C(C)(C)CN(C)C(=O)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737317837 599231679 /nfs/dbraw/zinc/23/16/79/599231679.db2.gz OLSCVYDNCJMHDI-UHFFFAOYSA-N -1 3 363.465 3.154 20 0 FGADHM Cc1ccc(C(C)(C)CN(C)C(=O)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737317837 599231680 /nfs/dbraw/zinc/23/16/80/599231680.db2.gz OLSCVYDNCJMHDI-UHFFFAOYSA-N -1 3 363.465 3.154 20 0 FGADHM CC(C)n1ncc2cc(NC(=O)C=Cc3ccccc3-c3nnn[n-]3)ccc21 ZINC000735963639 599227727 /nfs/dbraw/zinc/22/77/27/599227727.db2.gz IVBNAHZNSUCLPM-YFHOEESVSA-N -1 3 373.420 3.449 20 0 FGADHM CC(C)n1ncc2cc(NC(=O)C=Cc3ccccc3-c3nn[n-]n3)ccc21 ZINC000735963639 599227730 /nfs/dbraw/zinc/22/77/30/599227730.db2.gz IVBNAHZNSUCLPM-YFHOEESVSA-N -1 3 373.420 3.449 20 0 FGADHM CC[C@@H]1CN(C(=O)C=Cc2ccccc2-c2nnn[n-]2)c2ccccc2O1 ZINC000736413733 599228791 /nfs/dbraw/zinc/22/87/91/599228791.db2.gz ZGAKOFGUJJLJAG-QYMJWVLRSA-N -1 3 361.405 3.084 20 0 FGADHM CC[C@@H]1CN(C(=O)C=Cc2ccccc2-c2nn[n-]n2)c2ccccc2O1 ZINC000736413733 599228793 /nfs/dbraw/zinc/22/87/93/599228793.db2.gz ZGAKOFGUJJLJAG-QYMJWVLRSA-N -1 3 361.405 3.084 20 0 FGADHM Cc1c(Cl)cccc1NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822035468 599236036 /nfs/dbraw/zinc/23/60/36/599236036.db2.gz VJKYUPASPIALKR-UHFFFAOYSA-N -1 3 360.780 3.289 20 0 FGADHM Cc1c(Cl)cccc1NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822035468 599236037 /nfs/dbraw/zinc/23/60/37/599236037.db2.gz VJKYUPASPIALKR-UHFFFAOYSA-N -1 3 360.780 3.289 20 0 FGADHM CCSCC[C@@H](C)N(C)C(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000821457306 599238272 /nfs/dbraw/zinc/23/82/72/599238272.db2.gz VNTPNNRUTKUUKT-LLVKDONJSA-N -1 3 350.517 3.027 20 0 FGADHM CCSCC[C@@H](C)N(C)C(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000821457306 599238275 /nfs/dbraw/zinc/23/82/75/599238275.db2.gz VNTPNNRUTKUUKT-LLVKDONJSA-N -1 3 350.517 3.027 20 0 FGADHM Cc1c(NC(=O)CCc2ccc(OC(F)F)cc2)cccc1-c1nnn[n-]1 ZINC000822068399 607267345 /nfs/dbraw/zinc/26/73/45/607267345.db2.gz QYJKBXYQZKMMOO-UHFFFAOYSA-N -1 3 373.363 3.348 20 0 FGADHM Cc1c(NC(=O)CCc2ccc(OC(F)F)cc2)cccc1-c1nn[n-]n1 ZINC000822068399 607267346 /nfs/dbraw/zinc/26/73/46/607267346.db2.gz QYJKBXYQZKMMOO-UHFFFAOYSA-N -1 3 373.363 3.348 20 0 FGADHM Cc1c(NC(=O)Cc2ccc(-n3cccc3)cc2)cccc1-c1nnn[n-]1 ZINC000822076647 607269852 /nfs/dbraw/zinc/26/98/52/607269852.db2.gz PGZYFMDLBGEQLU-UHFFFAOYSA-N -1 3 358.405 3.147 20 0 FGADHM Cc1c(NC(=O)Cc2ccc(-n3cccc3)cc2)cccc1-c1nn[n-]n1 ZINC000822076647 607269853 /nfs/dbraw/zinc/26/98/53/607269853.db2.gz PGZYFMDLBGEQLU-UHFFFAOYSA-N -1 3 358.405 3.147 20 0 FGADHM C[C@@H](CNC(=O)Nc1ccc(-c2nnn[n-]2)cc1)Oc1ccc(Cl)cc1 ZINC000820268822 599241788 /nfs/dbraw/zinc/24/17/88/599241788.db2.gz FYNDNKUHGMFLBV-NSHDSACASA-N -1 3 372.816 3.109 20 0 FGADHM C[C@@H](CNC(=O)Nc1ccc(-c2nn[n-]n2)cc1)Oc1ccc(Cl)cc1 ZINC000820268822 599241791 /nfs/dbraw/zinc/24/17/91/599241791.db2.gz FYNDNKUHGMFLBV-NSHDSACASA-N -1 3 372.816 3.109 20 0 FGADHM C[C@H](CNC(=O)Nc1ccc(-c2nnn[n-]2)cc1)Oc1ccc(Cl)cc1 ZINC000820268820 599242040 /nfs/dbraw/zinc/24/20/40/599242040.db2.gz FYNDNKUHGMFLBV-LLVKDONJSA-N -1 3 372.816 3.109 20 0 FGADHM C[C@H](CNC(=O)Nc1ccc(-c2nn[n-]n2)cc1)Oc1ccc(Cl)cc1 ZINC000820268820 599242043 /nfs/dbraw/zinc/24/20/43/599242043.db2.gz FYNDNKUHGMFLBV-LLVKDONJSA-N -1 3 372.816 3.109 20 0 FGADHM CCCC[C@@H](CC)CC(=O)O[C@@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000736439795 599242048 /nfs/dbraw/zinc/24/20/48/599242048.db2.gz YYGMUSGCXIYBBX-UONOGXRCSA-N -1 3 373.457 3.343 20 0 FGADHM CCCC[C@@H](CC)CC(=O)O[C@@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000736439795 599242053 /nfs/dbraw/zinc/24/20/53/599242053.db2.gz YYGMUSGCXIYBBX-UONOGXRCSA-N -1 3 373.457 3.343 20 0 FGADHM Cc1nc([C@@H]2CCCN(C(=O)c3sccc3-c3nnn[n-]3)C2)sc1C ZINC000737473825 599242433 /nfs/dbraw/zinc/24/24/33/599242433.db2.gz HTAKQNBCYNFQSA-LLVKDONJSA-N -1 3 374.495 3.021 20 0 FGADHM Cc1nc([C@@H]2CCCN(C(=O)c3sccc3-c3nn[n-]n3)C2)sc1C ZINC000737473825 599242435 /nfs/dbraw/zinc/24/24/35/599242435.db2.gz HTAKQNBCYNFQSA-LLVKDONJSA-N -1 3 374.495 3.021 20 0 FGADHM Cc1c(NC(=O)c2cccc(OCC(C)C)c2)cccc1-c1nnn[n-]1 ZINC000822109370 607270705 /nfs/dbraw/zinc/27/07/05/607270705.db2.gz QWNODGQRCAVFBF-UHFFFAOYSA-N -1 3 351.410 3.462 20 0 FGADHM Cc1c(NC(=O)c2cccc(OCC(C)C)c2)cccc1-c1nn[n-]n1 ZINC000822109370 607270706 /nfs/dbraw/zinc/27/07/06/607270706.db2.gz QWNODGQRCAVFBF-UHFFFAOYSA-N -1 3 351.410 3.462 20 0 FGADHM C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736235881 599249313 /nfs/dbraw/zinc/24/93/13/599249313.db2.gz PNTHMJUOBCKAQW-SCLBCKFNSA-N -1 3 365.412 3.158 20 0 FGADHM C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736235881 599249314 /nfs/dbraw/zinc/24/93/14/599249314.db2.gz PNTHMJUOBCKAQW-SCLBCKFNSA-N -1 3 365.412 3.158 20 0 FGADHM CCC1(CC)[C@@H](OC)C[C@@H]1N(C)C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000820957403 607279451 /nfs/dbraw/zinc/27/94/51/607279451.db2.gz OTIWSKYURCHPLX-HOTGVXAUSA-N -1 3 372.473 3.233 20 0 FGADHM CCC1(CC)[C@@H](OC)C[C@@H]1N(C)C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000820957403 607279452 /nfs/dbraw/zinc/27/94/52/607279452.db2.gz OTIWSKYURCHPLX-HOTGVXAUSA-N -1 3 372.473 3.233 20 0 FGADHM Cc1c(NC(=O)N[C@H]2COc3c2cccc3Cl)cccc1-c1nnn[n-]1 ZINC000822092287 607282389 /nfs/dbraw/zinc/28/23/89/607282389.db2.gz VTSMLLCBQBMLIY-AWEZNQCLSA-N -1 3 370.800 3.084 20 0 FGADHM Cc1c(NC(=O)N[C@H]2COc3c2cccc3Cl)cccc1-c1nn[n-]n1 ZINC000822092287 607282390 /nfs/dbraw/zinc/28/23/90/607282390.db2.gz VTSMLLCBQBMLIY-AWEZNQCLSA-N -1 3 370.800 3.084 20 0 FGADHM CCc1nc([C@H](C)NC(=O)Nc2cccc(-c3nnn[n-]3)c2C)cs1 ZINC000821504993 607288007 /nfs/dbraw/zinc/28/80/07/607288007.db2.gz NVRCVORLFCGUIC-JTQLQIEISA-N -1 3 357.443 3.077 20 0 FGADHM CCc1nc([C@H](C)NC(=O)Nc2cccc(-c3nn[n-]n3)c2C)cs1 ZINC000821504993 607288008 /nfs/dbraw/zinc/28/80/08/607288008.db2.gz NVRCVORLFCGUIC-JTQLQIEISA-N -1 3 357.443 3.077 20 0 FGADHM Cc1ccccc1N1CCN(c2c(-c3nnn[n-]3)cnc3ccccc32)CC1 ZINC000737436964 599257313 /nfs/dbraw/zinc/25/73/13/599257313.db2.gz UVQWKFVABLAKOI-UHFFFAOYSA-N -1 3 371.448 3.050 20 0 FGADHM Cc1ccccc1N1CCN(c2c(-c3nn[n-]n3)cnc3ccccc32)CC1 ZINC000737436964 599257316 /nfs/dbraw/zinc/25/73/16/599257316.db2.gz UVQWKFVABLAKOI-UHFFFAOYSA-N -1 3 371.448 3.050 20 0 FGADHM CCOc1ccc(NC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c(C)c1 ZINC000821422161 599257417 /nfs/dbraw/zinc/25/74/17/599257417.db2.gz QKYWKOOSIXMBEC-CYBMUJFWSA-N -1 3 366.425 3.457 20 0 FGADHM CCOc1ccc(NC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c(C)c1 ZINC000821422161 599257418 /nfs/dbraw/zinc/25/74/18/599257418.db2.gz QKYWKOOSIXMBEC-CYBMUJFWSA-N -1 3 366.425 3.457 20 0 FGADHM Fc1ccc(F)c2c1ncc(-c1nnn[n-]1)c2N[C@H]1CCc2ccccc21 ZINC000737660875 599262172 /nfs/dbraw/zinc/26/21/72/599262172.db2.gz UJEYPCUEHZGHNW-HNNXBMFYSA-N -1 3 364.359 3.214 20 0 FGADHM Fc1ccc(F)c2c1ncc(-c1nn[n-]n1)c2N[C@H]1CCc2ccccc21 ZINC000737660875 599262175 /nfs/dbraw/zinc/26/21/75/599262175.db2.gz UJEYPCUEHZGHNW-HNNXBMFYSA-N -1 3 364.359 3.214 20 0 FGADHM Cc1c(NC(=O)N2CCc3cc(F)ccc3[C@@H]2C)cccc1-c1nnn[n-]1 ZINC000822089643 607293374 /nfs/dbraw/zinc/29/33/74/607293374.db2.gz FXFLYBMFWIZTHK-LBPRGKRZSA-N -1 3 366.400 3.465 20 0 FGADHM Cc1c(NC(=O)N2CCc3cc(F)ccc3[C@@H]2C)cccc1-c1nn[n-]n1 ZINC000822089643 607293375 /nfs/dbraw/zinc/29/33/75/607293375.db2.gz FXFLYBMFWIZTHK-LBPRGKRZSA-N -1 3 366.400 3.465 20 0 FGADHM CCCCC[C@@H](C)NC(=O)CCCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000821048627 607299154 /nfs/dbraw/zinc/29/91/54/607299154.db2.gz DSQGUTLXKRETMT-CQSZACIVSA-N -1 3 372.473 3.061 20 0 FGADHM CCCCC[C@@H](C)NC(=O)CCCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000821048627 607299155 /nfs/dbraw/zinc/29/91/55/607299155.db2.gz DSQGUTLXKRETMT-CQSZACIVSA-N -1 3 372.473 3.061 20 0 FGADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Oc1cc(Cl)ccc1F ZINC000736170148 599261503 /nfs/dbraw/zinc/26/15/03/599261503.db2.gz RXKHJLBGNCXFGP-SECBINFHSA-N -1 3 362.748 3.032 20 0 FGADHM c1nc2cc(Nc3ncccc3-c3nnn[n-]3)ccc2n1-c1ccccc1 ZINC000823773197 607306554 /nfs/dbraw/zinc/30/65/54/607306554.db2.gz RPTGFWFVLATULQ-UHFFFAOYSA-N -1 3 354.377 3.344 20 0 FGADHM c1nc2cc(Nc3ncccc3-c3nn[n-]n3)ccc2n1-c1ccccc1 ZINC000823773197 607306555 /nfs/dbraw/zinc/30/65/55/607306555.db2.gz RPTGFWFVLATULQ-UHFFFAOYSA-N -1 3 354.377 3.344 20 0 FGADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2NCc1ccn(C2CCCC2)n1 ZINC000822335831 607307364 /nfs/dbraw/zinc/30/73/64/607307364.db2.gz MGJNTUDYKHBMTR-UHFFFAOYSA-N -1 3 374.452 3.069 20 0 FGADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2NCc1ccn(C2CCCC2)n1 ZINC000822335831 607307365 /nfs/dbraw/zinc/30/73/65/607307365.db2.gz MGJNTUDYKHBMTR-UHFFFAOYSA-N -1 3 374.452 3.069 20 0 FGADHM CCC(=O)Nc1ccc(C)c(NCc2ccc(OC)c(-c3nnn[n-]3)c2)c1 ZINC000820836598 607307526 /nfs/dbraw/zinc/30/75/26/607307526.db2.gz CFRGTISTXYCDQF-UHFFFAOYSA-N -1 3 366.425 3.144 20 0 FGADHM CCC(=O)Nc1ccc(C)c(NCc2ccc(OC)c(-c3nn[n-]n3)c2)c1 ZINC000820836598 607307527 /nfs/dbraw/zinc/30/75/27/607307527.db2.gz CFRGTISTXYCDQF-UHFFFAOYSA-N -1 3 366.425 3.144 20 0 FGADHM C[C@@H]1CN(c2ccc(NCc3ccc(-c4nnn[n-]4)cc3)cc2)C[C@@H](C)O1 ZINC000820774873 607314862 /nfs/dbraw/zinc/31/48/62/607314862.db2.gz GQMBWEGBVCUOFF-HUUCEWRRSA-N -1 3 364.453 3.092 20 0 FGADHM C[C@@H]1CN(c2ccc(NCc3ccc(-c4nn[n-]n4)cc3)cc2)C[C@@H](C)O1 ZINC000820774873 607314863 /nfs/dbraw/zinc/31/48/63/607314863.db2.gz GQMBWEGBVCUOFF-HUUCEWRRSA-N -1 3 364.453 3.092 20 0 FGADHM Cc1c(NCc2cc(-c3nnn[n-]3)cs2)cccc1C(=O)N1CCCC1 ZINC000822121246 607314913 /nfs/dbraw/zinc/31/49/13/607314913.db2.gz BWSCDVRQUZTUFN-UHFFFAOYSA-N -1 3 368.466 3.085 20 0 FGADHM Cc1c(NCc2cc(-c3nn[n-]n3)cs2)cccc1C(=O)N1CCCC1 ZINC000822121246 607314914 /nfs/dbraw/zinc/31/49/14/607314914.db2.gz BWSCDVRQUZTUFN-UHFFFAOYSA-N -1 3 368.466 3.085 20 0 FGADHM CCC(CC)n1ccc(C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000820897520 607317632 /nfs/dbraw/zinc/31/76/32/607317632.db2.gz IDFJHPQEMJXORD-GFCCVEGCSA-N -1 3 354.414 3.342 20 0 FGADHM CCC(CC)n1ccc(C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000820897520 607317633 /nfs/dbraw/zinc/31/76/33/607317633.db2.gz IDFJHPQEMJXORD-GFCCVEGCSA-N -1 3 354.414 3.342 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cccc2cccnc21 ZINC000736488920 599277442 /nfs/dbraw/zinc/27/74/42/599277442.db2.gz UREAMXNTWIQNLY-UHFFFAOYSA-N -1 3 373.420 3.489 20 0 FGADHM Cc1cnc([C@H](NC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C2CC2)s1 ZINC000822389044 599279831 /nfs/dbraw/zinc/27/98/31/599279831.db2.gz JORDKRFXRWFXCL-CYBMUJFWSA-N -1 3 373.417 3.044 20 0 FGADHM Cc1cnc([C@H](NC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C2CC2)s1 ZINC000822389044 599279832 /nfs/dbraw/zinc/27/98/32/599279832.db2.gz JORDKRFXRWFXCL-CYBMUJFWSA-N -1 3 373.417 3.044 20 0 FGADHM Cc1c2c(sc1NC(=O)COc1ccc(-c3nn[n-]n3)cc1)CCCC2 ZINC000737220388 599279935 /nfs/dbraw/zinc/27/99/35/599279935.db2.gz WFORDEUAIPZIHP-UHFFFAOYSA-N -1 3 369.450 3.133 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N1CC[C@H](Cc2ccccc2)C1 ZINC000823333181 599282941 /nfs/dbraw/zinc/28/29/41/599282941.db2.gz ZSGLKWQAALFCMU-CQSZACIVSA-N -1 3 366.400 3.102 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N1CC[C@H](Cc2ccccc2)C1 ZINC000823333181 599282944 /nfs/dbraw/zinc/28/29/44/599282944.db2.gz ZSGLKWQAALFCMU-CQSZACIVSA-N -1 3 366.400 3.102 20 0 FGADHM C[C@H](NC(=O)Nc1ccc2ccn(C)c2c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820380571 599285889 /nfs/dbraw/zinc/28/58/89/599285889.db2.gz WMASCADYRICHFR-LBPRGKRZSA-N -1 3 361.409 3.241 20 0 FGADHM C[C@H](NC(=O)Nc1ccc2ccn(C)c2c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820380571 599285892 /nfs/dbraw/zinc/28/58/92/599285892.db2.gz WMASCADYRICHFR-LBPRGKRZSA-N -1 3 361.409 3.241 20 0 FGADHM C[C@@H]1[C@H](C)SCCN1C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736301093 599290026 /nfs/dbraw/zinc/29/00/26/599290026.db2.gz KTRPCRHBSYZTFC-BDAKNGLRSA-N -1 3 368.919 3.043 20 0 FGADHM C[C@@H]1[C@H](C)SCCN1C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736301093 599290029 /nfs/dbraw/zinc/29/00/29/599290029.db2.gz KTRPCRHBSYZTFC-BDAKNGLRSA-N -1 3 368.919 3.043 20 0 FGADHM CC(C)N1CCC[C@@H](Sc2ccc(-c3nnn[n-]3)cc2Cl)C1=O ZINC000824300057 607844162 /nfs/dbraw/zinc/84/41/62/607844162.db2.gz BDKJDONVXBVZFN-CYBMUJFWSA-N -1 3 351.863 3.012 20 0 FGADHM CC(C)N1CCC[C@@H](Sc2ccc(-c3nn[n-]n3)cc2Cl)C1=O ZINC000824300057 607844163 /nfs/dbraw/zinc/84/41/63/607844163.db2.gz BDKJDONVXBVZFN-CYBMUJFWSA-N -1 3 351.863 3.012 20 0 FGADHM Clc1ccc(-c2nnn[n-]2)c(N2CC(c3nc4ccccc4[nH]3)C2)c1 ZINC000822568055 607328970 /nfs/dbraw/zinc/32/89/70/607328970.db2.gz LAGQVBDCSWRVCH-UHFFFAOYSA-N -1 3 351.801 3.000 20 0 FGADHM Clc1ccc(-c2nn[n-]n2)c(N2CC(c3nc4ccccc4[nH]3)C2)c1 ZINC000822568055 607328971 /nfs/dbraw/zinc/32/89/71/607328971.db2.gz LAGQVBDCSWRVCH-UHFFFAOYSA-N -1 3 351.801 3.000 20 0 FGADHM Clc1ccc(N2CC(c3nc4ccccc4[nH]3)C2)c(-c2nnn[n-]2)c1 ZINC000822574550 607329103 /nfs/dbraw/zinc/32/91/03/607329103.db2.gz WAMXKGSRIVSVDM-UHFFFAOYSA-N -1 3 351.801 3.000 20 0 FGADHM Clc1ccc(N2CC(c3nc4ccccc4[nH]3)C2)c(-c2nn[n-]n2)c1 ZINC000822574550 607329104 /nfs/dbraw/zinc/32/91/04/607329104.db2.gz WAMXKGSRIVSVDM-UHFFFAOYSA-N -1 3 351.801 3.000 20 0 FGADHM CC[C@@H]1CCCCN1C(=O)CSc1ccc(-c2nnn[n-]2)cc1Cl ZINC000825194739 607844429 /nfs/dbraw/zinc/84/44/29/607844429.db2.gz SLSNMDKYEPHGLH-GFCCVEGCSA-N -1 3 365.890 3.403 20 0 FGADHM CC[C@@H]1CCCCN1C(=O)CSc1ccc(-c2nn[n-]n2)cc1Cl ZINC000825194739 607844430 /nfs/dbraw/zinc/84/44/30/607844430.db2.gz SLSNMDKYEPHGLH-GFCCVEGCSA-N -1 3 365.890 3.403 20 0 FGADHM C[C@@H]1CC[C@H](NC(=O)CNc2ccc(-c3nn[n-]n3)cc2)c2ccccc21 ZINC000824917859 607780036 /nfs/dbraw/zinc/78/00/36/607780036.db2.gz OJETUBPHTUDFOP-ACJLOTCBSA-N -1 3 362.437 3.033 20 0 FGADHM CCCC[C@@H](CC)C(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736438753 598236010 /nfs/dbraw/zinc/23/60/10/598236010.db2.gz KSEHHUPUMPUFAS-OAHLLOKOSA-N -1 3 371.485 3.453 20 0 FGADHM CCCC[C@@H](CC)C(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736438753 598236012 /nfs/dbraw/zinc/23/60/12/598236012.db2.gz KSEHHUPUMPUFAS-OAHLLOKOSA-N -1 3 371.485 3.453 20 0 FGADHM C[C@@H](c1ccc(F)cc1F)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000736197898 598251121 /nfs/dbraw/zinc/25/11/21/598251121.db2.gz CWSURHHKCXHIOF-ZDUSSCGKSA-N -1 3 370.407 3.028 20 0 FGADHM C[C@@H](c1ccc(F)cc1F)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000736197898 598251124 /nfs/dbraw/zinc/25/11/24/598251124.db2.gz CWSURHHKCXHIOF-ZDUSSCGKSA-N -1 3 370.407 3.028 20 0 FGADHM C[C@H](CCc1ccco1)NC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000735994435 598276347 /nfs/dbraw/zinc/27/63/47/598276347.db2.gz YDQCHPKUGLQRJU-GFCCVEGCSA-N -1 3 371.445 3.159 20 0 FGADHM C[C@H](CCc1ccco1)NC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000735994435 598276349 /nfs/dbraw/zinc/27/63/49/598276349.db2.gz YDQCHPKUGLQRJU-GFCCVEGCSA-N -1 3 371.445 3.159 20 0 FGADHM CC(=CC(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F)c1ccc(F)cc1 ZINC000735449341 598278141 /nfs/dbraw/zinc/27/81/41/598278141.db2.gz PBZWBGQDGHPLQU-LUAWRHEFSA-N -1 3 355.348 3.211 20 0 FGADHM CC(=CC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F)c1ccc(F)cc1 ZINC000735449341 598278142 /nfs/dbraw/zinc/27/81/42/598278142.db2.gz PBZWBGQDGHPLQU-LUAWRHEFSA-N -1 3 355.348 3.211 20 0 FGADHM C[C@@H](Cc1ccsc1)NC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736065321 598279150 /nfs/dbraw/zinc/27/91/50/598279150.db2.gz CLCPPVVHJRCZKO-NSHDSACASA-N -1 3 373.486 3.237 20 0 FGADHM C[C@@H](Cc1ccsc1)NC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736065321 598279152 /nfs/dbraw/zinc/27/91/52/598279152.db2.gz CLCPPVVHJRCZKO-NSHDSACASA-N -1 3 373.486 3.237 20 0 FGADHM CCC1(C)CCN(C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)CC1 ZINC000736397276 598281274 /nfs/dbraw/zinc/28/12/74/598281274.db2.gz QQSRLLRONAZDIK-UHFFFAOYSA-N -1 3 359.478 3.467 20 0 FGADHM CCC1(C)CCN(C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)CC1 ZINC000736397276 598281276 /nfs/dbraw/zinc/28/12/76/598281276.db2.gz QQSRLLRONAZDIK-UHFFFAOYSA-N -1 3 359.478 3.467 20 0 FGADHM CN(C(=O)C=Cc1ccc(Cl)s1)c1ccc(-c2nnn[n-]2)cc1F ZINC000736731390 598281401 /nfs/dbraw/zinc/28/14/01/598281401.db2.gz BSGWRFHLCIQCGQ-DAXSKMNVSA-N -1 3 363.805 3.397 20 0 FGADHM CN(C(=O)C=Cc1ccc(Cl)s1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736731390 598281402 /nfs/dbraw/zinc/28/14/02/598281402.db2.gz BSGWRFHLCIQCGQ-DAXSKMNVSA-N -1 3 363.805 3.397 20 0 FGADHM CCc1cccc2c1OCC[C@@H]2NC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000736694776 598282258 /nfs/dbraw/zinc/28/22/58/598282258.db2.gz CFJAHJRLCSCMIL-INIZCTEOSA-N -1 3 364.409 3.074 20 0 FGADHM CCc1cccc2c1OCC[C@@H]2NC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000736694776 598282259 /nfs/dbraw/zinc/28/22/59/598282259.db2.gz CFJAHJRLCSCMIL-INIZCTEOSA-N -1 3 364.409 3.074 20 0 FGADHM C[C@H](NC(=O)Nc1ccc2c(c1)CCCO2)c1ccc(-c2nnn[n-]2)cc1 ZINC000736114345 598292062 /nfs/dbraw/zinc/29/20/62/598292062.db2.gz BHEGOLIDXDNZPH-LBPRGKRZSA-N -1 3 364.409 3.074 20 0 FGADHM C[C@H](NC(=O)Nc1ccc2c(c1)CCCO2)c1ccc(-c2nn[n-]n2)cc1 ZINC000736114345 598292063 /nfs/dbraw/zinc/29/20/63/598292063.db2.gz BHEGOLIDXDNZPH-LBPRGKRZSA-N -1 3 364.409 3.074 20 0 FGADHM Cc1ccc2c(CC(=O)Nc3ccc(Cl)c(-c4nnn[n-]4)c3)c[nH]c2c1 ZINC000737371890 598296120 /nfs/dbraw/zinc/29/61/20/598296120.db2.gz OXXHDACPWXEEMK-UHFFFAOYSA-N -1 3 366.812 3.491 20 0 FGADHM Cc1ccc2c(CC(=O)Nc3ccc(Cl)c(-c4nn[n-]n4)c3)c[nH]c2c1 ZINC000737371890 598296122 /nfs/dbraw/zinc/29/61/22/598296122.db2.gz OXXHDACPWXEEMK-UHFFFAOYSA-N -1 3 366.812 3.491 20 0 FGADHM CCC[C@H](C(=O)NCc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000736417702 598304329 /nfs/dbraw/zinc/30/43/29/598304329.db2.gz UVZKJBGXCRMMPV-INIZCTEOSA-N -1 3 353.401 3.206 20 0 FGADHM CCC[C@H](C(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000736417702 598304331 /nfs/dbraw/zinc/30/43/31/598304331.db2.gz UVZKJBGXCRMMPV-INIZCTEOSA-N -1 3 353.401 3.206 20 0 FGADHM CC[C@@H](C)[C@@H](C(=O)NCc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000736320501 598304550 /nfs/dbraw/zinc/30/45/50/598304550.db2.gz UXVCBLYMZNXOIR-FZKQIMNGSA-N -1 3 367.428 3.452 20 0 FGADHM CC[C@@H](C)[C@@H](C(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000736320501 598304552 /nfs/dbraw/zinc/30/45/52/598304552.db2.gz UXVCBLYMZNXOIR-FZKQIMNGSA-N -1 3 367.428 3.452 20 0 FGADHM CN(C(=O)Cc1ccc2ccccc2c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000736738643 598310042 /nfs/dbraw/zinc/31/00/42/598310042.db2.gz FCIFYFMHLNBUSU-UHFFFAOYSA-N -1 3 361.380 3.365 20 0 FGADHM CN(C(=O)Cc1ccc2ccccc2c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736738643 598310043 /nfs/dbraw/zinc/31/00/43/598310043.db2.gz FCIFYFMHLNBUSU-UHFFFAOYSA-N -1 3 361.380 3.365 20 0 FGADHM CCCC[C@H](CC)CSCC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000736439023 598314441 /nfs/dbraw/zinc/31/44/41/598314441.db2.gz RDNCSGHUOUXMFH-AWEZNQCLSA-N -1 3 361.515 3.433 20 0 FGADHM CCCC[C@H](CC)CSCC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000736439023 598314443 /nfs/dbraw/zinc/31/44/43/598314443.db2.gz RDNCSGHUOUXMFH-AWEZNQCLSA-N -1 3 361.515 3.433 20 0 FGADHM Cc1ccsc1CNC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737443972 598318966 /nfs/dbraw/zinc/31/89/66/598318966.db2.gz ZMZNOHDFLDCCSA-UHFFFAOYSA-N -1 3 364.887 3.377 20 0 FGADHM Cc1ccsc1CNC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737443972 598318968 /nfs/dbraw/zinc/31/89/68/598318968.db2.gz ZMZNOHDFLDCCSA-UHFFFAOYSA-N -1 3 364.887 3.377 20 0 FGADHM CN(Cc1ccc(O)cc1)C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736818757 598321035 /nfs/dbraw/zinc/32/10/35/598321035.db2.gz ADBUIASGUVVZHN-UHFFFAOYSA-N -1 3 374.857 3.055 20 0 FGADHM CN(Cc1ccc(O)cc1)C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736818757 598321037 /nfs/dbraw/zinc/32/10/37/598321037.db2.gz ADBUIASGUVVZHN-UHFFFAOYSA-N -1 3 374.857 3.055 20 0 FGADHM Cc1ccccc1[C@H](C)N(C)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737420690 598326986 /nfs/dbraw/zinc/32/69/86/598326986.db2.gz JAXVVJHIYNDGSL-ZDUSSCGKSA-N -1 3 368.416 3.217 20 0 FGADHM Cc1ccccc1[C@H](C)N(C)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737420690 598326988 /nfs/dbraw/zinc/32/69/88/598326988.db2.gz JAXVVJHIYNDGSL-ZDUSSCGKSA-N -1 3 368.416 3.217 20 0 FGADHM CN(C(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1)C1CCCC1 ZINC000736741061 598330096 /nfs/dbraw/zinc/33/00/96/598330096.db2.gz MEHXSJMJBPIPMF-UHFFFAOYSA-N -1 3 367.409 3.053 20 0 FGADHM CN(C(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1)C1CCCC1 ZINC000736741061 598330098 /nfs/dbraw/zinc/33/00/98/598330098.db2.gz MEHXSJMJBPIPMF-UHFFFAOYSA-N -1 3 367.409 3.053 20 0 FGADHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)Nc1ccc2c3c(cccc31)CC2 ZINC000737893648 598382488 /nfs/dbraw/zinc/38/24/88/598382488.db2.gz CQEVKIPIQKOFOP-UHFFFAOYSA-N -1 3 370.416 3.169 20 0 FGADHM Cc1nc(C)c([C@@H](C)N(C)C(=O)Nc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000737471119 598391234 /nfs/dbraw/zinc/39/12/34/598391234.db2.gz OSCOBQSQPLKGIG-SNVBAGLBSA-N -1 3 357.443 3.165 20 0 FGADHM Cc1nc(C)c([C@@H](C)N(C)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000737471119 598391235 /nfs/dbraw/zinc/39/12/35/598391235.db2.gz OSCOBQSQPLKGIG-SNVBAGLBSA-N -1 3 357.443 3.165 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1OCC(=O)Nc1ccccc1C(C)(C)C ZINC000737221314 598396104 /nfs/dbraw/zinc/39/61/04/598396104.db2.gz IMQOSQRPVUDLPE-UHFFFAOYSA-N -1 3 365.437 3.490 20 0 FGADHM Cc1ccc(Cl)cc1NC(=O)COc1ccc(-c2nn[n-]n2)cc1C ZINC000737343436 598396483 /nfs/dbraw/zinc/39/64/83/598396483.db2.gz PEDQLGSZMDAMEV-UHFFFAOYSA-N -1 3 357.801 3.154 20 0 FGADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1c[nH]c2cc(Cl)ccc12 ZINC000736817480 598401774 /nfs/dbraw/zinc/40/17/74/598401774.db2.gz AXTGPNNDDSVKOS-UHFFFAOYSA-N -1 3 366.812 3.274 20 0 FGADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1c[nH]c2cc(Cl)ccc12 ZINC000736817480 598401776 /nfs/dbraw/zinc/40/17/76/598401776.db2.gz AXTGPNNDDSVKOS-UHFFFAOYSA-N -1 3 366.812 3.274 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1sccc1SC(F)F ZINC000107241933 598419246 /nfs/dbraw/zinc/41/92/46/598419246.db2.gz XIIMHASXNYVCDK-UHFFFAOYSA-N -1 3 353.379 3.495 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1sccc1SC(F)F ZINC000107241933 598419247 /nfs/dbraw/zinc/41/92/47/598419247.db2.gz XIIMHASXNYVCDK-UHFFFAOYSA-N -1 3 353.379 3.495 20 0 FGADHM Cc1cc(C)cc([C@@H](C)NC(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737254395 598423298 /nfs/dbraw/zinc/42/32/98/598423298.db2.gz XCOIBWOAZORFJN-HUUCEWRRSA-N -1 3 365.437 3.128 20 0 FGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H]1CCC[C@@H](C)C1 ZINC000736256822 598427751 /nfs/dbraw/zinc/42/77/51/598427751.db2.gz AZXJQHXUKOAARI-RHSMWYFYSA-N -1 3 356.474 3.365 20 0 FGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1CCC[C@@H](C)C1 ZINC000736256822 598427752 /nfs/dbraw/zinc/42/77/52/598427752.db2.gz AZXJQHXUKOAARI-RHSMWYFYSA-N -1 3 356.474 3.365 20 0 FGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NC[C@@H]1CC=CCC1 ZINC000735874059 598429096 /nfs/dbraw/zinc/42/90/96/598429096.db2.gz HEKBKKINUFOJKF-OAHLLOKOSA-N -1 3 354.458 3.143 20 0 FGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@@H]1CC=CCC1 ZINC000735874059 598429098 /nfs/dbraw/zinc/42/90/98/598429098.db2.gz HEKBKKINUFOJKF-OAHLLOKOSA-N -1 3 354.458 3.143 20 0 FGADHM CSc1ccsc1C(=O)OCc1ccc(-c2nnn[n-]2)cc1F ZINC000737191745 598431540 /nfs/dbraw/zinc/43/15/40/598431540.db2.gz QUMBWZDRMBIDRQ-UHFFFAOYSA-N -1 3 350.400 3.146 20 0 FGADHM CSc1ccsc1C(=O)OCc1ccc(-c2nn[n-]n2)cc1F ZINC000737191745 598431541 /nfs/dbraw/zinc/43/15/41/598431541.db2.gz QUMBWZDRMBIDRQ-UHFFFAOYSA-N -1 3 350.400 3.146 20 0 FGADHM O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc(-c2nnn[n-]2)cn1 ZINC000738175588 598435766 /nfs/dbraw/zinc/43/57/66/598435766.db2.gz PJTVRVJWRLHVGQ-UHFFFAOYSA-N -1 3 358.361 3.306 20 0 FGADHM O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738175588 598435768 /nfs/dbraw/zinc/43/57/68/598435768.db2.gz PJTVRVJWRLHVGQ-UHFFFAOYSA-N -1 3 358.361 3.306 20 0 FGADHM C[C@@H](CN(C)C(=S)Nc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000735999574 598440570 /nfs/dbraw/zinc/44/05/70/598440570.db2.gz CYYXGABMBZCKPS-ZDUSSCGKSA-N -1 3 352.467 3.299 20 0 FGADHM C[C@@H](CN(C)C(=S)Nc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000735999574 598440572 /nfs/dbraw/zinc/44/05/72/598440572.db2.gz CYYXGABMBZCKPS-ZDUSSCGKSA-N -1 3 352.467 3.299 20 0 FGADHM CCOc1cc(NC(=S)Nc2ccccc2-c2nnn[n-]2)ccc1C ZINC000736626992 598441206 /nfs/dbraw/zinc/44/12/06/598441206.db2.gz VZZFGNPRZFGIAU-UHFFFAOYSA-N -1 3 354.439 3.383 20 0 FGADHM CCOc1cc(NC(=S)Nc2ccccc2-c2nn[n-]n2)ccc1C ZINC000736626992 598441208 /nfs/dbraw/zinc/44/12/08/598441208.db2.gz VZZFGNPRZFGIAU-UHFFFAOYSA-N -1 3 354.439 3.383 20 0 FGADHM O=C(N[C@H](c1ccc(F)cc1)C1CCCC1)c1ccc(-c2nnn[n-]2)cn1 ZINC000737998244 598445020 /nfs/dbraw/zinc/44/50/20/598445020.db2.gz NOWLQVFSZFXPDY-KRWDZBQOSA-N -1 3 366.400 3.062 20 0 FGADHM O=C(N[C@H](c1ccc(F)cc1)C1CCCC1)c1ccc(-c2nn[n-]n2)cn1 ZINC000737998244 598445021 /nfs/dbraw/zinc/44/50/21/598445021.db2.gz NOWLQVFSZFXPDY-KRWDZBQOSA-N -1 3 366.400 3.062 20 0 FGADHM O=C(c1ccc(-c2nnn[n-]2)cn1)N1Cc2ccccc2-c2ccccc21 ZINC000738259600 598446370 /nfs/dbraw/zinc/44/63/70/598446370.db2.gz SKNSDCKKUGCKOF-UHFFFAOYSA-N -1 3 354.373 3.089 20 0 FGADHM O=C(c1ccc(-c2nn[n-]n2)cn1)N1Cc2ccccc2-c2ccccc21 ZINC000738259600 598446372 /nfs/dbraw/zinc/44/63/72/598446372.db2.gz SKNSDCKKUGCKOF-UHFFFAOYSA-N -1 3 354.373 3.089 20 0 FGADHM CC(C)(CCc1ccccc1)NC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000735665464 598467503 /nfs/dbraw/zinc/46/75/03/598467503.db2.gz GESPCAJCPACISQ-UHFFFAOYSA-N -1 3 350.426 3.400 20 0 FGADHM CC(C)(CCc1ccccc1)NC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000735665464 598467505 /nfs/dbraw/zinc/46/75/05/598467505.db2.gz GESPCAJCPACISQ-UHFFFAOYSA-N -1 3 350.426 3.400 20 0 FGADHM CCOc1cc(NC(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)ccc1C ZINC000736624875 598476600 /nfs/dbraw/zinc/47/66/00/598476600.db2.gz JAZGRCDVKIHWOY-UHFFFAOYSA-N -1 3 366.425 3.238 20 0 FGADHM CCOc1cc(NC(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)ccc1C ZINC000736624875 598476601 /nfs/dbraw/zinc/47/66/01/598476601.db2.gz JAZGRCDVKIHWOY-UHFFFAOYSA-N -1 3 366.425 3.238 20 0 FGADHM CC(C)(CCc1ccccc1)NC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000735665078 598477599 /nfs/dbraw/zinc/47/75/99/598477599.db2.gz CBPDJNMTNPDXAJ-UHFFFAOYSA-N -1 3 364.453 3.077 20 0 FGADHM CC(C)(CCc1ccccc1)NC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000735665078 598477600 /nfs/dbraw/zinc/47/76/00/598477600.db2.gz CBPDJNMTNPDXAJ-UHFFFAOYSA-N -1 3 364.453 3.077 20 0 FGADHM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)cn1)c1ccc(Cl)cc1Cl ZINC000736158443 598479080 /nfs/dbraw/zinc/47/90/80/598479080.db2.gz PYRVJYIZAJOQFS-MRVPVSSYSA-N -1 3 364.192 3.487 20 0 FGADHM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)cn1)c1ccc(Cl)cc1Cl ZINC000736158443 598479081 /nfs/dbraw/zinc/47/90/81/598479081.db2.gz PYRVJYIZAJOQFS-MRVPVSSYSA-N -1 3 364.192 3.487 20 0 FGADHM C[C@@H]1CCC[C@@H](CNC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)C1 ZINC000736254301 598479197 /nfs/dbraw/zinc/47/91/97/598479197.db2.gz YNZBNRKASCTRHF-GDBMZVCRSA-N -1 3 368.485 3.367 20 0 FGADHM C[C@@H]1CCC[C@@H](CNC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)C1 ZINC000736254301 598479198 /nfs/dbraw/zinc/47/91/98/598479198.db2.gz YNZBNRKASCTRHF-GDBMZVCRSA-N -1 3 368.485 3.367 20 0 FGADHM CCc1ccccc1OCC(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000736701392 598488321 /nfs/dbraw/zinc/48/83/21/598488321.db2.gz BHRYZUGRRXOIOM-CYBMUJFWSA-N -1 3 352.394 3.112 20 0 FGADHM CCc1ccccc1OCC(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000736701392 598488324 /nfs/dbraw/zinc/48/83/24/598488324.db2.gz BHRYZUGRRXOIOM-CYBMUJFWSA-N -1 3 352.394 3.112 20 0 FGADHM C[C@H](OC(=O)C=Cc1cnc2ccccc2n1)c1cccc(-c2nnn[n-]2)c1 ZINC000736154396 598488989 /nfs/dbraw/zinc/48/89/89/598488989.db2.gz UWPUCGXARYEPNQ-XPSMFNQNSA-N -1 3 372.388 3.128 20 0 FGADHM C[C@H](OC(=O)C=Cc1cnc2ccccc2n1)c1cccc(-c2nn[n-]n2)c1 ZINC000736154396 598488990 /nfs/dbraw/zinc/48/89/90/598488990.db2.gz UWPUCGXARYEPNQ-XPSMFNQNSA-N -1 3 372.388 3.128 20 0 FGADHM Cc1ccc(C(=O)CCC(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737308399 598492362 /nfs/dbraw/zinc/49/23/62/598492362.db2.gz LYISFVMCDAHCJB-CQSZACIVSA-N -1 3 364.405 3.442 20 0 FGADHM Cc1ccc(C(=O)CCC(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737308399 598492363 /nfs/dbraw/zinc/49/23/63/598492363.db2.gz LYISFVMCDAHCJB-CQSZACIVSA-N -1 3 364.405 3.442 20 0 FGADHM Cc1ncccc1C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000737501778 598493453 /nfs/dbraw/zinc/49/34/53/598493453.db2.gz JYSIAFABTITADB-UHFFFAOYSA-N -1 3 373.376 3.010 20 0 FGADHM C[C@@H]1C[C@H]1NC(=O)c1ccccc1SCc1ccc(-c2nnn[n-]2)cc1 ZINC000736235805 598501157 /nfs/dbraw/zinc/50/11/57/598501157.db2.gz GSCNUFLRQIGLDG-MLGOLLRUSA-N -1 3 365.462 3.297 20 0 FGADHM C[C@@H]1C[C@H]1NC(=O)c1ccccc1SCc1ccc(-c2nn[n-]n2)cc1 ZINC000736235805 598501159 /nfs/dbraw/zinc/50/11/59/598501159.db2.gz GSCNUFLRQIGLDG-MLGOLLRUSA-N -1 3 365.462 3.297 20 0 FGADHM CCc1c(C)sc(NC(=O)c2ccnc(SC)c2)c1-c1nnn[n-]1 ZINC000736675790 598515811 /nfs/dbraw/zinc/51/58/11/598515811.db2.gz NLIWRJVGFJPRBL-UHFFFAOYSA-N -1 3 360.468 3.168 20 0 FGADHM CCc1c(C)sc(NC(=O)c2ccnc(SC)c2)c1-c1nn[n-]n1 ZINC000736675790 598515813 /nfs/dbraw/zinc/51/58/13/598515813.db2.gz NLIWRJVGFJPRBL-UHFFFAOYSA-N -1 3 360.468 3.168 20 0 FGADHM CCOc1ccc(CC(=O)Nc2sc(C)c(CC)c2-c2nnn[n-]2)cc1 ZINC000736644298 598518262 /nfs/dbraw/zinc/51/82/62/598518262.db2.gz XGNRGSBNKOVJLQ-UHFFFAOYSA-N -1 3 371.466 3.379 20 0 FGADHM CCOc1ccc(CC(=O)Nc2sc(C)c(CC)c2-c2nn[n-]n2)cc1 ZINC000736644298 598518263 /nfs/dbraw/zinc/51/82/63/598518263.db2.gz XGNRGSBNKOVJLQ-UHFFFAOYSA-N -1 3 371.466 3.379 20 0 FGADHM CC(C)CC[C@@H]1CCC[C@H]1NC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000735798001 598519552 /nfs/dbraw/zinc/51/95/52/598519552.db2.gz UDTNGYGXDMDCHI-RLFYNMQTSA-N -1 3 371.485 3.355 20 0 FGADHM CC[C@@H](Cc1ccccc1)NC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736351177 598528567 /nfs/dbraw/zinc/52/85/67/598528567.db2.gz OZSWVYHVXVLATA-SFHVURJKSA-N -1 3 364.453 3.029 20 0 FGADHM CC[C@@H](Cc1ccccc1)NC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736351177 598528569 /nfs/dbraw/zinc/52/85/69/598528569.db2.gz OZSWVYHVXVLATA-SFHVURJKSA-N -1 3 364.453 3.029 20 0 FGADHM Cc1c2c(nc(SCc3noc4c3CCCC4)c1-c1nnn[n-]1)CCC2 ZINC000737220454 598532228 /nfs/dbraw/zinc/53/22/28/598532228.db2.gz YSGSBVOKIHAZEM-UHFFFAOYSA-N -1 3 368.466 3.218 20 0 FGADHM Cc1c2c(nc(SCc3noc4c3CCCC4)c1-c1nn[n-]n1)CCC2 ZINC000737220454 598532229 /nfs/dbraw/zinc/53/22/29/598532229.db2.gz YSGSBVOKIHAZEM-UHFFFAOYSA-N -1 3 368.466 3.218 20 0 FGADHM O=C(Cc1c[nH]c2cc(Cl)ccc12)OCc1cccc(-c2nnn[n-]2)c1 ZINC000737955094 598533941 /nfs/dbraw/zinc/53/39/41/598533941.db2.gz YJDCWEOYEVQFSR-UHFFFAOYSA-N -1 3 367.796 3.287 20 0 FGADHM O=C(Cc1c[nH]c2cc(Cl)ccc12)OCc1cccc(-c2nn[n-]n2)c1 ZINC000737955094 598533943 /nfs/dbraw/zinc/53/39/43/598533943.db2.gz YJDCWEOYEVQFSR-UHFFFAOYSA-N -1 3 367.796 3.287 20 0 FGADHM Cc1ccc(C[C@H](C)NC(=O)Nc2ccc(-c3nnn[n-]3)cc2)c(C)c1 ZINC000737336113 598541178 /nfs/dbraw/zinc/54/11/78/598541178.db2.gz XJENMYKYEVBIFK-AWEZNQCLSA-N -1 3 350.426 3.236 20 0 FGADHM Cc1ccc(C[C@H](C)NC(=O)Nc2ccc(-c3nn[n-]n3)cc2)c(C)c1 ZINC000737336113 598541180 /nfs/dbraw/zinc/54/11/80/598541180.db2.gz XJENMYKYEVBIFK-AWEZNQCLSA-N -1 3 350.426 3.236 20 0 FGADHM c1cc(-c2nn[n-]n2)ccc1OCCSCc1noc2c1CCCC2 ZINC000738413035 598541632 /nfs/dbraw/zinc/54/16/32/598541632.db2.gz QAEQKDYLKOKKGB-UHFFFAOYSA-N -1 3 357.439 3.046 20 0 FGADHM CC(C)C(C)(C)NC(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000735691884 598541771 /nfs/dbraw/zinc/54/17/71/598541771.db2.gz DZFPAGPBZDTJAJ-UHFFFAOYSA-N -1 3 369.425 3.203 20 0 FGADHM CC(C)C(C)(C)NC(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000735691884 598541772 /nfs/dbraw/zinc/54/17/72/598541772.db2.gz DZFPAGPBZDTJAJ-UHFFFAOYSA-N -1 3 369.425 3.203 20 0 FGADHM CC[C@@H](C)C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736318940 598543355 /nfs/dbraw/zinc/54/33/55/598543355.db2.gz GMWJCXZGRFLWBQ-CYBMUJFWSA-N -1 3 351.410 3.430 20 0 FGADHM CC[C@@H](C)C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736318940 598543357 /nfs/dbraw/zinc/54/33/57/598543357.db2.gz GMWJCXZGRFLWBQ-CYBMUJFWSA-N -1 3 351.410 3.430 20 0 FGADHM Cc1nn(C)c(Cl)c1[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1F ZINC000737511132 598544906 /nfs/dbraw/zinc/54/49/06/598544906.db2.gz HVOQWUYTGXGNKJ-ZDUSSCGKSA-N -1 3 361.812 3.043 20 0 FGADHM O=C(COc1ccc(-c2nnn[n-]2)c(F)c1)c1ccc2c(c1)CCCC2 ZINC000737919072 598547068 /nfs/dbraw/zinc/54/70/68/598547068.db2.gz JJRIDFYMDAZEJP-UHFFFAOYSA-N -1 3 352.369 3.146 20 0 FGADHM O=C(COc1ccc(-c2nn[n-]n2)c(F)c1)c1ccc2c(c1)CCCC2 ZINC000737919072 598547070 /nfs/dbraw/zinc/54/70/70/598547070.db2.gz JJRIDFYMDAZEJP-UHFFFAOYSA-N -1 3 352.369 3.146 20 0 FGADHM O=C(COc1ccc(-c2nnn[n-]2)c(F)c1)Nc1cccc2ccccc21 ZINC000737919105 598548371 /nfs/dbraw/zinc/54/83/71/598548371.db2.gz KFGBWBQVHKKWQL-UHFFFAOYSA-N -1 3 363.352 3.177 20 0 FGADHM O=C(COc1ccc(-c2nn[n-]n2)c(F)c1)Nc1cccc2ccccc21 ZINC000737919105 598548373 /nfs/dbraw/zinc/54/83/73/598548373.db2.gz KFGBWBQVHKKWQL-UHFFFAOYSA-N -1 3 363.352 3.177 20 0 FGADHM Fc1cc(OCc2nc3ccccc3n2C(F)F)ccc1-c1nnn[n-]1 ZINC000737651649 598549419 /nfs/dbraw/zinc/54/94/19/598549419.db2.gz MCJSLAPSRSDXBQ-UHFFFAOYSA-N -1 3 360.299 3.330 20 0 FGADHM Fc1cc(OCc2nc3ccccc3n2C(F)F)ccc1-c1nn[n-]n1 ZINC000737651649 598549420 /nfs/dbraw/zinc/54/94/20/598549420.db2.gz MCJSLAPSRSDXBQ-UHFFFAOYSA-N -1 3 360.299 3.330 20 0 FGADHM Fc1cc(OCc2nnc(-c3ccccc3Cl)o2)ccc1-c1nnn[n-]1 ZINC000737653264 598550391 /nfs/dbraw/zinc/55/03/91/598550391.db2.gz QTVWSBJDYBJTRV-UHFFFAOYSA-N -1 3 372.747 3.288 20 0 FGADHM Fc1cc(OCc2nnc(-c3ccccc3Cl)o2)ccc1-c1nn[n-]n1 ZINC000737653264 598550392 /nfs/dbraw/zinc/55/03/92/598550392.db2.gz QTVWSBJDYBJTRV-UHFFFAOYSA-N -1 3 372.747 3.288 20 0 FGADHM Cc1cc(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)no1 ZINC000737238546 598555628 /nfs/dbraw/zinc/55/56/28/598555628.db2.gz OPOCZPWRCNYQTC-UHFFFAOYSA-N -1 3 362.349 3.208 20 0 FGADHM Cc1cc(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)no1 ZINC000737238546 598555629 /nfs/dbraw/zinc/55/56/29/598555629.db2.gz OPOCZPWRCNYQTC-UHFFFAOYSA-N -1 3 362.349 3.208 20 0 FGADHM C[C@H]1CCCN(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)CC1 ZINC000736267266 598558576 /nfs/dbraw/zinc/55/85/76/598558576.db2.gz RKFRFJTYJRMAAM-JTQLQIEISA-N -1 3 366.372 3.122 20 0 FGADHM C[C@H]1CCCN(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)CC1 ZINC000736267266 598558578 /nfs/dbraw/zinc/55/85/78/598558578.db2.gz RKFRFJTYJRMAAM-JTQLQIEISA-N -1 3 366.372 3.122 20 0 FGADHM O=C(Oc1ccc(Cl)cc1)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738252216 598571264 /nfs/dbraw/zinc/57/12/64/598571264.db2.gz WWPUFUDASCFPLF-INIZCTEOSA-N -1 3 369.812 3.095 20 0 FGADHM O=C(CCCOc1ccccc1Cl)Nc1ccccc1-c1nnn[n-]1 ZINC000737836282 598573812 /nfs/dbraw/zinc/57/38/12/598573812.db2.gz KWULUTIPAAPRHZ-UHFFFAOYSA-N -1 3 357.801 3.318 20 0 FGADHM O=C(CCCOc1ccccc1Cl)Nc1ccccc1-c1nn[n-]n1 ZINC000737836282 598573813 /nfs/dbraw/zinc/57/38/13/598573813.db2.gz KWULUTIPAAPRHZ-UHFFFAOYSA-N -1 3 357.801 3.318 20 0 FGADHM Cc1noc(C)c1CCNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000737537894 598581132 /nfs/dbraw/zinc/58/11/32/598581132.db2.gz PGCAJIXZGCIUGU-UHFFFAOYSA-N -1 3 352.320 3.145 20 0 FGADHM Cc1noc(C)c1CCNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000737537894 598581134 /nfs/dbraw/zinc/58/11/34/598581134.db2.gz PGCAJIXZGCIUGU-UHFFFAOYSA-N -1 3 352.320 3.145 20 0 FGADHM Cc1nc(C)c(-c2nnn[n-]2)c(SCc2ncc(-c3cccs3)o2)n1 ZINC000737471517 598582240 /nfs/dbraw/zinc/58/22/40/598582240.db2.gz SBPODSYITZIOSI-UHFFFAOYSA-N -1 3 371.451 3.282 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)[C@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000738164416 598584160 /nfs/dbraw/zinc/58/41/60/598584160.db2.gz ZJHRPDQRRNZYMF-OLZOCXBDSA-N -1 3 357.776 3.401 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)[C@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000738164416 598584162 /nfs/dbraw/zinc/58/41/62/598584162.db2.gz ZJHRPDQRRNZYMF-OLZOCXBDSA-N -1 3 357.776 3.401 20 0 FGADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1F)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000738232159 598584429 /nfs/dbraw/zinc/58/44/29/598584429.db2.gz PVNIBCVWYVINHQ-STQMWFEESA-N -1 3 374.322 3.131 20 0 FGADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1F)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000738232159 598584430 /nfs/dbraw/zinc/58/44/30/598584430.db2.gz PVNIBCVWYVINHQ-STQMWFEESA-N -1 3 374.322 3.131 20 0 FGADHM COc1ccc(S[C@H](C)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000737115828 598585307 /nfs/dbraw/zinc/58/53/07/598585307.db2.gz PBLGHCBYVQTFQJ-SNVBAGLBSA-N -1 3 373.413 3.134 20 0 FGADHM COc1ccc(S[C@H](C)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000737115828 598585308 /nfs/dbraw/zinc/58/53/08/598585308.db2.gz PBLGHCBYVQTFQJ-SNVBAGLBSA-N -1 3 373.413 3.134 20 0 FGADHM C[C@@H](Nc1c(-c2nnn[n-]2)cnc2c(F)ccc(Cl)c21)c1ccccn1 ZINC000736139360 598591819 /nfs/dbraw/zinc/59/18/19/598591819.db2.gz QFZQSITWKHAPCB-SECBINFHSA-N -1 3 369.791 3.197 20 0 FGADHM C[C@@H](Nc1c(-c2nn[n-]n2)cnc2c(F)ccc(Cl)c21)c1ccccn1 ZINC000736139360 598591821 /nfs/dbraw/zinc/59/18/21/598591821.db2.gz QFZQSITWKHAPCB-SECBINFHSA-N -1 3 369.791 3.197 20 0 FGADHM O=C(Cc1ccc(Cl)cc1Cl)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737955945 598592898 /nfs/dbraw/zinc/59/28/98/598592898.db2.gz OROAASRXNNLPPE-UHFFFAOYSA-N -1 3 366.183 3.494 20 0 FGADHM O=C(Cc1ccc(Cl)cc1Cl)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737955945 598592899 /nfs/dbraw/zinc/59/28/99/598592899.db2.gz OROAASRXNNLPPE-UHFFFAOYSA-N -1 3 366.183 3.494 20 0 FGADHM Cc1ccc2c(CNc3ccc(F)c(-c4nnn[n-]4)c3)cc(=O)oc2c1 ZINC000737371927 598593842 /nfs/dbraw/zinc/59/38/42/598593842.db2.gz QGFJJZLKIVNZGV-UHFFFAOYSA-N -1 3 351.341 3.033 20 0 FGADHM Cc1ccc2c(CNc3ccc(F)c(-c4nn[n-]n4)c3)cc(=O)oc2c1 ZINC000737371927 598593843 /nfs/dbraw/zinc/59/38/43/598593843.db2.gz QGFJJZLKIVNZGV-UHFFFAOYSA-N -1 3 351.341 3.033 20 0 FGADHM O=C(N[C@H]1CCCC[C@@H]1Cc1ccccc1)c1sccc1-c1nnn[n-]1 ZINC000738026381 598609742 /nfs/dbraw/zinc/60/97/42/598609742.db2.gz QTLKABVKYYDSHW-ZBFHGGJFSA-N -1 3 367.478 3.460 20 0 FGADHM O=C(N[C@H]1CCCC[C@@H]1Cc1ccccc1)c1sccc1-c1nn[n-]n1 ZINC000738026381 598609744 /nfs/dbraw/zinc/60/97/44/598609744.db2.gz QTLKABVKYYDSHW-ZBFHGGJFSA-N -1 3 367.478 3.460 20 0 FGADHM O=S(=O)(c1cccc(-c2nnn[n-]2)c1)N(c1ccccc1)C1CCCC1 ZINC000738355917 598622449 /nfs/dbraw/zinc/62/24/49/598622449.db2.gz VTFQULLOCFRREZ-UHFFFAOYSA-N -1 3 369.450 3.005 20 0 FGADHM O=S(=O)(c1cccc(-c2nn[n-]n2)c1)N(c1ccccc1)C1CCCC1 ZINC000738355917 598622450 /nfs/dbraw/zinc/62/24/50/598622450.db2.gz VTFQULLOCFRREZ-UHFFFAOYSA-N -1 3 369.450 3.005 20 0 FGADHM CCC[C@H]1CCCC[C@H]1NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC000736437708 598622914 /nfs/dbraw/zinc/62/29/14/598622914.db2.gz WUGQUMBTPPIMGN-GXTWGEPZSA-N -1 3 358.446 3.356 20 0 FGADHM CCC[C@H]1CCCC[C@H]1NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC000736437708 598622916 /nfs/dbraw/zinc/62/29/16/598622916.db2.gz WUGQUMBTPPIMGN-GXTWGEPZSA-N -1 3 358.446 3.356 20 0 FGADHM CC[C@H](Cc1ccccc1)NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736350683 598625978 /nfs/dbraw/zinc/62/59/78/598625978.db2.gz NBYPMIFDRZLZDD-CYBMUJFWSA-N -1 3 354.389 3.149 20 0 FGADHM CC[C@H](Cc1ccccc1)NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736350683 598625980 /nfs/dbraw/zinc/62/59/80/598625980.db2.gz NBYPMIFDRZLZDD-CYBMUJFWSA-N -1 3 354.389 3.149 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000738167187 598632126 /nfs/dbraw/zinc/63/21/26/598632126.db2.gz OCHUCPPJCZZZIJ-BDAKNGLRSA-N -1 3 372.326 3.248 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000738167187 598632127 /nfs/dbraw/zinc/63/21/27/598632127.db2.gz OCHUCPPJCZZZIJ-BDAKNGLRSA-N -1 3 372.326 3.248 20 0 FGADHM C[C@H]1CN(c2cc(Cl)ccc2-c2nnn[n-]2)C[C@@H](c2ccccc2)O1 ZINC000736290213 598634111 /nfs/dbraw/zinc/63/41/11/598634111.db2.gz QDQNCPVWDDCEAE-SJCJKPOMSA-N -1 3 355.829 3.487 20 0 FGADHM C[C@H]1CN(c2cc(Cl)ccc2-c2nn[n-]n2)C[C@@H](c2ccccc2)O1 ZINC000736290213 598634112 /nfs/dbraw/zinc/63/41/12/598634112.db2.gz QDQNCPVWDDCEAE-SJCJKPOMSA-N -1 3 355.829 3.487 20 0 FGADHM Cc1ccccc1-n1cnnc1SCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737416198 598643022 /nfs/dbraw/zinc/64/30/22/598643022.db2.gz XXVARIKSWLDRAV-UHFFFAOYSA-N -1 3 367.413 3.187 20 0 FGADHM Cc1ccccc1-n1cnnc1SCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737416198 598643024 /nfs/dbraw/zinc/64/30/24/598643024.db2.gz XXVARIKSWLDRAV-UHFFFAOYSA-N -1 3 367.413 3.187 20 0 FGADHM Cn1c(SCc2ccc(F)cc2-c2nnn[n-]2)nnc1-c1cccs1 ZINC000737593953 598644859 /nfs/dbraw/zinc/64/48/59/598644859.db2.gz VHQJQULKTBDMGK-UHFFFAOYSA-N -1 3 373.442 3.155 20 0 FGADHM Cn1c(SCc2ccc(F)cc2-c2nn[n-]n2)nnc1-c1cccs1 ZINC000737593953 598644862 /nfs/dbraw/zinc/64/48/62/598644862.db2.gz VHQJQULKTBDMGK-UHFFFAOYSA-N -1 3 373.442 3.155 20 0 FGADHM Fc1ccc(CSc2nc3cc(F)c(F)cc3[nH]2)c(-c2nnn[n-]2)c1 ZINC000737647364 598645162 /nfs/dbraw/zinc/64/51/62/598645162.db2.gz CRXXMXYYYNSXNH-UHFFFAOYSA-N -1 3 362.340 3.453 20 0 FGADHM Fc1ccc(CSc2nc3cc(F)c(F)cc3[nH]2)c(-c2nn[n-]n2)c1 ZINC000737647364 598645164 /nfs/dbraw/zinc/64/51/64/598645164.db2.gz CRXXMXYYYNSXNH-UHFFFAOYSA-N -1 3 362.340 3.453 20 0 FGADHM CC(=O)c1ccc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)cc1 ZINC000735495169 598646366 /nfs/dbraw/zinc/64/63/66/598646366.db2.gz CFYYCIQBXHZQLU-UHFFFAOYSA-N -1 3 367.434 3.262 20 0 FGADHM CC(=O)c1ccc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)cc1 ZINC000735495169 598646367 /nfs/dbraw/zinc/64/63/67/598646367.db2.gz CFYYCIQBXHZQLU-UHFFFAOYSA-N -1 3 367.434 3.262 20 0 FGADHM CN(Cc1cccc(Cl)c1)C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736828809 598648821 /nfs/dbraw/zinc/64/88/21/598648821.db2.gz SUNSXVFVNYYENE-UHFFFAOYSA-N -1 3 373.869 3.271 20 0 FGADHM CN(Cc1cccc(Cl)c1)C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736828809 598648822 /nfs/dbraw/zinc/64/88/22/598648822.db2.gz SUNSXVFVNYYENE-UHFFFAOYSA-N -1 3 373.869 3.271 20 0 FGADHM O=C(c1cc(F)c(F)c(F)c1)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000738246249 598652679 /nfs/dbraw/zinc/65/26/79/598652679.db2.gz AJVNFENJRKFREW-UHFFFAOYSA-N -1 3 373.338 3.089 20 0 FGADHM O=C(c1cc(F)c(F)c(F)c1)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000738246249 598652680 /nfs/dbraw/zinc/65/26/80/598652680.db2.gz AJVNFENJRKFREW-UHFFFAOYSA-N -1 3 373.338 3.089 20 0 FGADHM O=C(Cc1cccnc1)Nc1sc(-c2ccccc2)cc1-c1nnn[n-]1 ZINC000737974510 598653758 /nfs/dbraw/zinc/65/37/58/598653758.db2.gz CMUVYJXXDYTNNG-UHFFFAOYSA-N -1 3 362.418 3.171 20 0 FGADHM O=C(Cc1cccnc1)Nc1sc(-c2ccccc2)cc1-c1nn[n-]n1 ZINC000737974510 598653760 /nfs/dbraw/zinc/65/37/60/598653760.db2.gz CMUVYJXXDYTNNG-UHFFFAOYSA-N -1 3 362.418 3.171 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C1(c2ccccc2)CCCC1 ZINC000737057744 598656393 /nfs/dbraw/zinc/65/63/93/598656393.db2.gz ITWBKSHYCFOYKI-UHFFFAOYSA-N -1 3 363.421 3.326 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C1(c2ccccc2)CCCC1 ZINC000737057744 598656395 /nfs/dbraw/zinc/65/63/95/598656395.db2.gz ITWBKSHYCFOYKI-UHFFFAOYSA-N -1 3 363.421 3.326 20 0 FGADHM C[C@H](CCNC(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000735986113 598658087 /nfs/dbraw/zinc/65/80/87/598658087.db2.gz LSSIXUDNDDAQAT-CQSZACIVSA-N -1 3 367.478 3.269 20 0 FGADHM C[C@H](CCNC(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000735986113 598658089 /nfs/dbraw/zinc/65/80/89/598658089.db2.gz LSSIXUDNDDAQAT-CQSZACIVSA-N -1 3 367.478 3.269 20 0 FGADHM CC[C@H](Oc1ccccc1C(C)C)C(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000736391782 598659565 /nfs/dbraw/zinc/65/95/65/598659565.db2.gz OJEPBTCVSNCVPL-HNNXBMFYSA-N -1 3 366.425 3.181 20 0 FGADHM CC[C@H](Oc1ccccc1C(C)C)C(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000736391782 598659567 /nfs/dbraw/zinc/65/95/67/598659567.db2.gz OJEPBTCVSNCVPL-HNNXBMFYSA-N -1 3 366.425 3.181 20 0 FGADHM CC(C)[C@@H]1CCCC[C@@H]1NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000735752094 598661254 /nfs/dbraw/zinc/66/12/54/598661254.db2.gz XNXPUFOIMQWQDJ-HOTGVXAUSA-N -1 3 359.499 3.290 20 0 FGADHM CC(C)[C@@H]1CCCC[C@@H]1NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000735752094 598661257 /nfs/dbraw/zinc/66/12/57/598661257.db2.gz XNXPUFOIMQWQDJ-HOTGVXAUSA-N -1 3 359.499 3.290 20 0 FGADHM CCCN(C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1)C1CC1 ZINC000736472604 598664808 /nfs/dbraw/zinc/66/48/08/598664808.db2.gz QNKCWTUXWMWIMX-UHFFFAOYSA-N -1 3 364.409 3.069 20 0 FGADHM CCCN(C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1)C1CC1 ZINC000736472604 598664809 /nfs/dbraw/zinc/66/48/09/598664809.db2.gz QNKCWTUXWMWIMX-UHFFFAOYSA-N -1 3 364.409 3.069 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)c1cccc(-n2cccc2)c1 ZINC000738236038 598707177 /nfs/dbraw/zinc/70/71/77/598707177.db2.gz QDLJFKCIAXALFJ-UHFFFAOYSA-N -1 3 363.352 3.154 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)c1cccc(-n2cccc2)c1 ZINC000738236038 598707179 /nfs/dbraw/zinc/70/71/79/598707179.db2.gz QDLJFKCIAXALFJ-UHFFFAOYSA-N -1 3 363.352 3.154 20 0 FGADHM CCc1nc([C@@H](C)NC(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000736701092 598715911 /nfs/dbraw/zinc/71/59/11/598715911.db2.gz ZATRRJAORJFQRR-GHMZBOCLSA-N -1 3 371.470 3.007 20 0 FGADHM CCc1nc([C@@H](C)NC(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000736701092 598715913 /nfs/dbraw/zinc/71/59/13/598715913.db2.gz ZATRRJAORJFQRR-GHMZBOCLSA-N -1 3 371.470 3.007 20 0 FGADHM Cc1ccc(O)c(NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737365065 598718863 /nfs/dbraw/zinc/71/88/63/598718863.db2.gz OVNRPTFIERONLI-UHFFFAOYSA-N -1 3 367.409 3.069 20 0 FGADHM Cc1ccc(O)c(NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737365065 598718865 /nfs/dbraw/zinc/71/88/65/598718865.db2.gz OVNRPTFIERONLI-UHFFFAOYSA-N -1 3 367.409 3.069 20 0 FGADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)N1CCCc2cccc(Cl)c21 ZINC000737851314 598723305 /nfs/dbraw/zinc/72/33/05/598723305.db2.gz FWMOTRJOGFKYCU-UHFFFAOYSA-N -1 3 367.840 3.432 20 0 FGADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)N1CCCc2cccc(Cl)c21 ZINC000737851314 598723306 /nfs/dbraw/zinc/72/33/06/598723306.db2.gz FWMOTRJOGFKYCU-UHFFFAOYSA-N -1 3 367.840 3.432 20 0 FGADHM c1cn(Cc2cc(-c3ccccc3)no2)nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC000738422435 598724028 /nfs/dbraw/zinc/72/40/28/598724028.db2.gz ZALNUEWSAAJYRQ-UHFFFAOYSA-N -1 3 369.388 3.434 20 0 FGADHM c1cn(Cc2cc(-c3ccccc3)no2)nc1-c1ccc(-c2nn[n-]n2)cc1 ZINC000738422435 598724030 /nfs/dbraw/zinc/72/40/30/598724030.db2.gz ZALNUEWSAAJYRQ-UHFFFAOYSA-N -1 3 369.388 3.434 20 0 FGADHM Cc1nn(-c2ccccc2)c(COC(=O)/C=C\C(C)(C)C)c1-c1nnn[n-]1 ZINC000737503728 598728428 /nfs/dbraw/zinc/72/84/28/598728428.db2.gz KKIMDJHTXUYVNI-KHPPLWFESA-N -1 3 366.425 3.006 20 0 FGADHM C[C@H](CCCOCc1ccccc1)OC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000735984047 598739492 /nfs/dbraw/zinc/73/94/92/598739492.db2.gz BBZZVNHWBICCKE-OAHLLOKOSA-N -1 3 366.421 3.409 20 0 FGADHM C[C@H](CCCOCc1ccccc1)OC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000735984047 598739493 /nfs/dbraw/zinc/73/94/93/598739493.db2.gz BBZZVNHWBICCKE-OAHLLOKOSA-N -1 3 366.421 3.409 20 0 FGADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C[C@@H]1CCc2ccccc2C1 ZINC000736821500 598741684 /nfs/dbraw/zinc/74/16/84/598741684.db2.gz XLILXAKTHXRNFJ-OAHLLOKOSA-N -1 3 361.449 3.020 20 0 FGADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C[C@@H]1CCc2ccccc2C1 ZINC000736821500 598741686 /nfs/dbraw/zinc/74/16/86/598741686.db2.gz XLILXAKTHXRNFJ-OAHLLOKOSA-N -1 3 361.449 3.020 20 0 FGADHM CCC[C@H](C)CC(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736422954 598745309 /nfs/dbraw/zinc/74/53/09/598745309.db2.gz LERLENSLBYTUQI-AWEZNQCLSA-N -1 3 357.458 3.063 20 0 FGADHM COCCSc1ccc([C@H](C)Nc2ncccc2-c2nnn[n-]2)cc1 ZINC000737015285 598755796 /nfs/dbraw/zinc/75/57/96/598755796.db2.gz WAUKNLDVXNDTGW-LBPRGKRZSA-N -1 3 356.455 3.173 20 0 FGADHM COCCSc1ccc([C@H](C)Nc2ncccc2-c2nn[n-]n2)cc1 ZINC000737015285 598755797 /nfs/dbraw/zinc/75/57/97/598755797.db2.gz WAUKNLDVXNDTGW-LBPRGKRZSA-N -1 3 356.455 3.173 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)NC1(c2ccc(Cl)cc2)CC1 ZINC000738151577 598758660 /nfs/dbraw/zinc/75/86/60/598758660.db2.gz MKHZFDLAVAXFII-UHFFFAOYSA-N -1 3 354.801 3.331 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)NC1(c2ccc(Cl)cc2)CC1 ZINC000738151577 598758662 /nfs/dbraw/zinc/75/86/62/598758662.db2.gz MKHZFDLAVAXFII-UHFFFAOYSA-N -1 3 354.801 3.331 20 0 FGADHM Fc1cc(F)c2ncc(-c3nnn[n-]3)c(N3CC[C@@H](c4ccco4)C3)c2c1 ZINC000737643184 598773534 /nfs/dbraw/zinc/77/35/34/598773534.db2.gz CNZKIYKXNXJZCP-SNVBAGLBSA-N -1 3 368.347 3.280 20 0 FGADHM Fc1cc(F)c2ncc(-c3nn[n-]n3)c(N3CC[C@@H](c4ccco4)C3)c2c1 ZINC000737643184 598773536 /nfs/dbraw/zinc/77/35/36/598773536.db2.gz CNZKIYKXNXJZCP-SNVBAGLBSA-N -1 3 368.347 3.280 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N(Cc1ccco1)C(C)C ZINC000736633492 598781748 /nfs/dbraw/zinc/78/17/48/598781748.db2.gz BUEYMCAMEODMRB-UHFFFAOYSA-N -1 3 370.413 3.301 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N(Cc1ccco1)C(C)C ZINC000736633492 598781750 /nfs/dbraw/zinc/78/17/50/598781750.db2.gz BUEYMCAMEODMRB-UHFFFAOYSA-N -1 3 370.413 3.301 20 0 FGADHM CCCCOc1ccccc1COC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736462515 598786507 /nfs/dbraw/zinc/78/65/07/598786507.db2.gz DHXOKRBFQZZJAA-UHFFFAOYSA-N -1 3 366.421 3.332 20 0 FGADHM CCCCOc1ccccc1COC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736462515 598786508 /nfs/dbraw/zinc/78/65/08/598786508.db2.gz DHXOKRBFQZZJAA-UHFFFAOYSA-N -1 3 366.421 3.332 20 0 FGADHM CCN(C)C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000736510276 598788399 /nfs/dbraw/zinc/78/83/99/598788399.db2.gz TYLBLHPPYYOZOB-UHFFFAOYSA-N -1 3 366.425 3.238 20 0 FGADHM CCN(C)C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000736510276 598788402 /nfs/dbraw/zinc/78/84/02/598788402.db2.gz TYLBLHPPYYOZOB-UHFFFAOYSA-N -1 3 366.425 3.238 20 0 FGADHM CCN(C(=O)CO[C@@H]1CCC[C@@H](C)C1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736505003 598790053 /nfs/dbraw/zinc/79/00/53/598790053.db2.gz KAWQCVPZZQAMIN-RVKKMQEKSA-N -1 3 371.485 3.372 20 0 FGADHM CCN(C(=O)CO[C@@H]1CCC[C@@H](C)C1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736505003 598790055 /nfs/dbraw/zinc/79/00/55/598790055.db2.gz KAWQCVPZZQAMIN-RVKKMQEKSA-N -1 3 371.485 3.372 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H]1CCc2ccccc21 ZINC000736480501 598790126 /nfs/dbraw/zinc/79/01/26/598790126.db2.gz QKJAHWUWSFVLHY-LJQANCHMSA-N -1 3 361.449 3.335 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@H]1CCc2ccccc21 ZINC000736480501 598790128 /nfs/dbraw/zinc/79/01/28/598790128.db2.gz QKJAHWUWSFVLHY-LJQANCHMSA-N -1 3 361.449 3.335 20 0 FGADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)[C@H]1CCc2ccccc21 ZINC000737027140 598790632 /nfs/dbraw/zinc/79/06/32/598790632.db2.gz YOYGJOVPRIMEED-ZDUSSCGKSA-N -1 3 370.796 3.164 20 0 FGADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)[C@H]1CCc2ccccc21 ZINC000737027140 598790633 /nfs/dbraw/zinc/79/06/33/598790633.db2.gz YOYGJOVPRIMEED-ZDUSSCGKSA-N -1 3 370.796 3.164 20 0 FGADHM COc1ccc(CCNc2ccc(Cl)cc2-c2nnn[n-]2)c(OC)c1 ZINC000737090278 598794115 /nfs/dbraw/zinc/79/41/15/598794115.db2.gz LREBZCYEYBTZNV-UHFFFAOYSA-N -1 3 359.817 3.192 20 0 FGADHM COc1ccc(CCNc2ccc(Cl)cc2-c2nn[n-]n2)c(OC)c1 ZINC000737090278 598794116 /nfs/dbraw/zinc/79/41/16/598794116.db2.gz LREBZCYEYBTZNV-UHFFFAOYSA-N -1 3 359.817 3.192 20 0 FGADHM CC(C)(C)OC(=O)C1CCN(c2ccc(Cl)cc2-c2nnn[n-]2)CC1 ZINC000735624008 598795600 /nfs/dbraw/zinc/79/56/00/598795600.db2.gz PLWZLHJWDIYABX-UHFFFAOYSA-N -1 3 363.849 3.078 20 0 FGADHM CC(C)(C)OC(=O)C1CCN(c2ccc(Cl)cc2-c2nn[n-]n2)CC1 ZINC000735624008 598795602 /nfs/dbraw/zinc/79/56/02/598795602.db2.gz PLWZLHJWDIYABX-UHFFFAOYSA-N -1 3 363.849 3.078 20 0 FGADHM COc1ccnc(Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)n1 ZINC000737159214 598795883 /nfs/dbraw/zinc/79/58/83/598795883.db2.gz KYKDUVOLJRKCSR-UHFFFAOYSA-N -1 3 361.365 3.201 20 0 FGADHM CC(C)(C)SCCOC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000735644489 598801397 /nfs/dbraw/zinc/80/13/97/598801397.db2.gz YQHNESDJDGFUMJ-UHFFFAOYSA-N -1 3 366.512 3.175 20 0 FGADHM CC(C)(C)SCCOC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000735644489 598801398 /nfs/dbraw/zinc/80/13/98/598801398.db2.gz YQHNESDJDGFUMJ-UHFFFAOYSA-N -1 3 366.512 3.175 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H](CC)OC1CCCC1 ZINC000736481161 598802522 /nfs/dbraw/zinc/80/25/22/598802522.db2.gz UZFQJJLWDITEFW-GOSISDBHSA-N -1 3 371.485 3.343 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@H](CC)OC1CCCC1 ZINC000736481161 598802523 /nfs/dbraw/zinc/80/25/23/598802523.db2.gz UZFQJJLWDITEFW-GOSISDBHSA-N -1 3 371.485 3.343 20 0 FGADHM CCc1c(C)sc(NC(=O)[C@@H](CC)OC2CCCC2)c1-c1nnn[n-]1 ZINC000736670780 598805270 /nfs/dbraw/zinc/80/52/70/598805270.db2.gz RHEMZDWMPLHBRT-CYBMUJFWSA-N -1 3 363.487 3.475 20 0 FGADHM CCc1c(C)sc(NC(=O)[C@@H](CC)OC2CCCC2)c1-c1nn[n-]n1 ZINC000736670780 598805272 /nfs/dbraw/zinc/80/52/72/598805272.db2.gz RHEMZDWMPLHBRT-CYBMUJFWSA-N -1 3 363.487 3.475 20 0 FGADHM CC(C)(C)CN(CC(F)(F)F)C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000735601812 598806593 /nfs/dbraw/zinc/80/65/93/598806593.db2.gz DTFXGJSHCOQRDU-CMDGGOBGSA-N -1 3 367.375 3.317 20 0 FGADHM CC(C)(C)CN(CC(F)(F)F)C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000735601812 598806594 /nfs/dbraw/zinc/80/65/94/598806594.db2.gz DTFXGJSHCOQRDU-CMDGGOBGSA-N -1 3 367.375 3.317 20 0 FGADHM O=C(C1CC1)N(Cc1ccccc1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000737781060 598807948 /nfs/dbraw/zinc/80/79/48/598807948.db2.gz HNIOWKINSMPONF-UHFFFAOYSA-N -1 3 353.813 3.463 20 0 FGADHM O=C(C1CC1)N(Cc1ccccc1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000737781060 598807950 /nfs/dbraw/zinc/80/79/50/598807950.db2.gz HNIOWKINSMPONF-UHFFFAOYSA-N -1 3 353.813 3.463 20 0 FGADHM CC(C)[C@H](c1ccccc1Cl)N(C)C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000735736659 598822448 /nfs/dbraw/zinc/82/24/48/598822448.db2.gz UYNCQUARLGJZNF-MRXNPFEDSA-N -1 3 370.844 3.384 20 0 FGADHM CC(C)[C@H](c1ccccc1Cl)N(C)C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000735736659 598822449 /nfs/dbraw/zinc/82/24/49/598822449.db2.gz UYNCQUARLGJZNF-MRXNPFEDSA-N -1 3 370.844 3.384 20 0 FGADHM CN(C(=O)Cc1ccc(Cl)c(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736739888 599305471 /nfs/dbraw/zinc/30/54/71/599305471.db2.gz WIRYCOCXDYPUFM-UHFFFAOYSA-N -1 3 362.220 3.379 20 0 FGADHM CN(C(=O)Cc1ccc(Cl)c(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736739888 599305472 /nfs/dbraw/zinc/30/54/72/599305472.db2.gz WIRYCOCXDYPUFM-UHFFFAOYSA-N -1 3 362.220 3.379 20 0 FGADHM CN(C(=O)c1csc(-c2ccccc2)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736741053 599305546 /nfs/dbraw/zinc/30/55/46/599305546.db2.gz LXPDBBLIDHYYCH-UHFFFAOYSA-N -1 3 362.418 3.267 20 0 FGADHM CN(C(=O)c1csc(-c2ccccc2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736741053 599305551 /nfs/dbraw/zinc/30/55/51/599305551.db2.gz LXPDBBLIDHYYCH-UHFFFAOYSA-N -1 3 362.418 3.267 20 0 FGADHM Fc1cccc(N2CCc3cccc(Br)c3C2)c1-c1nnn[n-]1 ZINC000737661645 599306100 /nfs/dbraw/zinc/30/61/00/599306100.db2.gz OMGDVDGORURROI-UHFFFAOYSA-N -1 3 374.217 3.331 20 0 FGADHM Fc1cccc(N2CCc3cccc(Br)c3C2)c1-c1nn[n-]n1 ZINC000737661645 599306105 /nfs/dbraw/zinc/30/61/05/599306105.db2.gz OMGDVDGORURROI-UHFFFAOYSA-N -1 3 374.217 3.331 20 0 FGADHM CN(C(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736733460 599306943 /nfs/dbraw/zinc/30/69/43/599306943.db2.gz VMOATFISWLARCQ-NWDGAFQWSA-N -1 3 353.348 3.198 20 0 FGADHM CN(C(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736733460 599306946 /nfs/dbraw/zinc/30/69/46/599306946.db2.gz VMOATFISWLARCQ-NWDGAFQWSA-N -1 3 353.348 3.198 20 0 FGADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H]1C[C@@]12CCCc1ccccc12 ZINC000821612402 599313584 /nfs/dbraw/zinc/31/35/84/599313584.db2.gz UDJYTFFRKOOBTO-DENIHFKCSA-N -1 3 373.460 3.119 20 0 FGADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H]1C[C@@]12CCCc1ccccc12 ZINC000821612402 599313586 /nfs/dbraw/zinc/31/35/86/599313586.db2.gz UDJYTFFRKOOBTO-DENIHFKCSA-N -1 3 373.460 3.119 20 0 FGADHM CCN(C(=O)CCCOc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736505823 599313847 /nfs/dbraw/zinc/31/38/47/599313847.db2.gz SJORXKBHLNPQKT-UHFFFAOYSA-N -1 3 351.410 3.079 20 0 FGADHM CCN(C(=O)CCCOc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736505823 599313850 /nfs/dbraw/zinc/31/38/50/599313850.db2.gz SJORXKBHLNPQKT-UHFFFAOYSA-N -1 3 351.410 3.079 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)[C@H]1C[C@]12CCCc1ccccc12 ZINC000823332273 599320716 /nfs/dbraw/zinc/32/07/16/599320716.db2.gz MJSPYPDVLUDZDT-UZLBHIALSA-N -1 3 363.396 3.239 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)[C@H]1C[C@]12CCCc1ccccc12 ZINC000823332273 599320719 /nfs/dbraw/zinc/32/07/19/599320719.db2.gz MJSPYPDVLUDZDT-UZLBHIALSA-N -1 3 363.396 3.239 20 0 FGADHM CC(C)Oc1ccc(NCCOc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000735913422 599327629 /nfs/dbraw/zinc/32/76/29/599327629.db2.gz OEIKYORRUPOYRW-UHFFFAOYSA-N -1 3 357.389 3.284 20 0 FGADHM CC(C)Oc1ccc(NCCOc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000735913422 599327632 /nfs/dbraw/zinc/32/76/32/599327632.db2.gz OEIKYORRUPOYRW-UHFFFAOYSA-N -1 3 357.389 3.284 20 0 FGADHM Cc1ccccc1CNC(=O)CS[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737427780 599329283 /nfs/dbraw/zinc/32/92/83/599329283.db2.gz FACBHNDHVPRBGJ-AWEZNQCLSA-N -1 3 367.478 3.286 20 0 FGADHM Cc1ccccc1CNC(=O)CS[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737427780 599329284 /nfs/dbraw/zinc/32/92/84/599329284.db2.gz FACBHNDHVPRBGJ-AWEZNQCLSA-N -1 3 367.478 3.286 20 0 FGADHM COC(=O)C(C)(C)c1ccc(NCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000736889131 599330736 /nfs/dbraw/zinc/33/07/36/599330736.db2.gz PZLSYPDAMAIQJG-UHFFFAOYSA-N -1 3 369.400 3.069 20 0 FGADHM COC(=O)C(C)(C)c1ccc(NCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000736889131 599330739 /nfs/dbraw/zinc/33/07/39/599330739.db2.gz PZLSYPDAMAIQJG-UHFFFAOYSA-N -1 3 369.400 3.069 20 0 FGADHM C[C@@H](SCC(=O)Nc1ccccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000736188519 599333040 /nfs/dbraw/zinc/33/30/40/599333040.db2.gz KUPKBSUMZBNOBZ-LLVKDONJSA-N -1 3 357.414 3.439 20 0 FGADHM C[C@@H](SCC(=O)Nc1ccccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000736188519 599333042 /nfs/dbraw/zinc/33/30/42/599333042.db2.gz KUPKBSUMZBNOBZ-LLVKDONJSA-N -1 3 357.414 3.439 20 0 FGADHM C[C@H](c1ccccc1)N(C)C(=O)CSc1ccccc1-c1nnn[n-]1 ZINC000820563282 599344499 /nfs/dbraw/zinc/34/44/99/599344499.db2.gz PMHFGWBMBJHXBM-CYBMUJFWSA-N -1 3 353.451 3.178 20 0 FGADHM C[C@H](c1ccccc1)N(C)C(=O)CSc1ccccc1-c1nn[n-]n1 ZINC000820563282 599344501 /nfs/dbraw/zinc/34/45/01/599344501.db2.gz PMHFGWBMBJHXBM-CYBMUJFWSA-N -1 3 353.451 3.178 20 0 FGADHM CCC(=O)Nc1ccc(C)c(NCc2cc(-c3nnn[n-]3)ccc2OC)c1 ZINC000820838314 607370287 /nfs/dbraw/zinc/37/02/87/607370287.db2.gz SDMVEQWFMZVCCZ-UHFFFAOYSA-N -1 3 366.425 3.144 20 0 FGADHM CCC(=O)Nc1ccc(C)c(NCc2cc(-c3nn[n-]n3)ccc2OC)c1 ZINC000820838314 607370289 /nfs/dbraw/zinc/37/02/89/607370289.db2.gz SDMVEQWFMZVCCZ-UHFFFAOYSA-N -1 3 366.425 3.144 20 0 FGADHM Fc1cccc(CN(Cc2ccon2)Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737660595 599363681 /nfs/dbraw/zinc/36/36/81/599363681.db2.gz KOIZYIKSCRRRAS-UHFFFAOYSA-N -1 3 364.384 3.196 20 0 FGADHM Fc1cccc(CN(Cc2ccon2)Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737660595 599363684 /nfs/dbraw/zinc/36/36/84/599363684.db2.gz KOIZYIKSCRRRAS-UHFFFAOYSA-N -1 3 364.384 3.196 20 0 FGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1)c1cc(Cl)cc2cccnc21 ZINC000738231560 599367087 /nfs/dbraw/zinc/36/70/87/599367087.db2.gz CCIFHRURWMLKAU-UHFFFAOYSA-N -1 3 365.780 3.425 20 0 FGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1)c1cc(Cl)cc2cccnc21 ZINC000738231560 599367089 /nfs/dbraw/zinc/36/70/89/599367089.db2.gz CCIFHRURWMLKAU-UHFFFAOYSA-N -1 3 365.780 3.425 20 0 FGADHM C[C@H](CC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2)n1cccc1 ZINC000735977688 599369119 /nfs/dbraw/zinc/36/91/19/599369119.db2.gz QRQJZGWUUOCQTJ-LLVKDONJSA-N -1 3 356.455 3.198 20 0 FGADHM C[C@H](CC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2)n1cccc1 ZINC000735977688 599369121 /nfs/dbraw/zinc/36/91/21/599369121.db2.gz QRQJZGWUUOCQTJ-LLVKDONJSA-N -1 3 356.455 3.198 20 0 FGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)c1cc2occc2s1 ZINC000735661064 599371919 /nfs/dbraw/zinc/37/19/19/599371919.db2.gz HURAWVOZSZPAME-UHFFFAOYSA-N -1 3 356.411 3.483 20 0 FGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)c1cc2occc2s1 ZINC000735661064 599371921 /nfs/dbraw/zinc/37/19/21/599371921.db2.gz HURAWVOZSZPAME-UHFFFAOYSA-N -1 3 356.411 3.483 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1CNc1ccccc1OCC1CC1 ZINC000821737391 607371948 /nfs/dbraw/zinc/37/19/48/607371948.db2.gz WHFTZXCYNSLXAR-UHFFFAOYSA-N -1 3 351.410 3.276 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1CNc1ccccc1OCC1CC1 ZINC000821737391 607371950 /nfs/dbraw/zinc/37/19/50/607371950.db2.gz WHFTZXCYNSLXAR-UHFFFAOYSA-N -1 3 351.410 3.276 20 0 FGADHM Cc1c(Cl)ccc2c1N(C(=O)c1sccc1-c1nnn[n-]1)CCC2 ZINC000737214941 599383376 /nfs/dbraw/zinc/38/33/76/599383376.db2.gz BHNDOYNDONGJRP-UHFFFAOYSA-N -1 3 359.842 3.483 20 0 FGADHM Cc1c(Cl)ccc2c1N(C(=O)c1sccc1-c1nn[n-]n1)CCC2 ZINC000737214941 599383379 /nfs/dbraw/zinc/38/33/79/599383379.db2.gz BHNDOYNDONGJRP-UHFFFAOYSA-N -1 3 359.842 3.483 20 0 FGADHM C[C@H](Nc1cc(-c2nnn[n-]2)c2ccccc2n1)c1ccc2c(c1)OCO2 ZINC000736140516 599401526 /nfs/dbraw/zinc/40/15/26/599401526.db2.gz XDAQPMILSSXUAD-NSHDSACASA-N -1 3 360.377 3.317 20 0 FGADHM C[C@H](Nc1cc(-c2nn[n-]n2)c2ccccc2n1)c1ccc2c(c1)OCO2 ZINC000736140516 599401528 /nfs/dbraw/zinc/40/15/28/599401528.db2.gz XDAQPMILSSXUAD-NSHDSACASA-N -1 3 360.377 3.317 20 0 FGADHM C[C@@H](CNc1cc(-c2nnn[n-]2)c2ccccc2n1)N1CCc2ccccc21 ZINC000736025888 599403732 /nfs/dbraw/zinc/40/37/32/599403732.db2.gz KISYORQHWBNPFE-AWEZNQCLSA-N -1 3 371.448 3.278 20 0 FGADHM C[C@@H](CNc1cc(-c2nn[n-]n2)c2ccccc2n1)N1CCc2ccccc21 ZINC000736025888 599403735 /nfs/dbraw/zinc/40/37/35/599403735.db2.gz KISYORQHWBNPFE-AWEZNQCLSA-N -1 3 371.448 3.278 20 0 FGADHM Fc1ccc(OCCNc2cc(-c3nnn[n-]3)c3ccccc3n2)cc1 ZINC000737656348 599404733 /nfs/dbraw/zinc/40/47/33/599404733.db2.gz KRJSEPDPYQEPSP-UHFFFAOYSA-N -1 3 350.357 3.045 20 0 FGADHM Fc1ccc(OCCNc2cc(-c3nn[n-]n3)c3ccccc3n2)cc1 ZINC000737656348 599404735 /nfs/dbraw/zinc/40/47/35/599404735.db2.gz KRJSEPDPYQEPSP-UHFFFAOYSA-N -1 3 350.357 3.045 20 0 FGADHM CC[C@H](Cc1ccccc1)N(C)C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000820913470 599409330 /nfs/dbraw/zinc/40/93/30/599409330.db2.gz GKRHUBKZXNZTLM-GOSISDBHSA-N -1 3 364.453 3.029 20 0 FGADHM CC[C@H](Cc1ccccc1)N(C)C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000820913470 599409333 /nfs/dbraw/zinc/40/93/33/599409333.db2.gz GKRHUBKZXNZTLM-GOSISDBHSA-N -1 3 364.453 3.029 20 0 FGADHM FC(F)(F)CO[C@@H]1CCCN(c2cc(Cl)ccc2-c2nnn[n-]2)C1 ZINC000737626681 599414668 /nfs/dbraw/zinc/41/46/68/599414668.db2.gz JAFADLQVEPLUME-SNVBAGLBSA-N -1 3 361.755 3.068 20 0 FGADHM FC(F)(F)CO[C@@H]1CCCN(c2cc(Cl)ccc2-c2nn[n-]n2)C1 ZINC000737626681 599414672 /nfs/dbraw/zinc/41/46/72/599414672.db2.gz JAFADLQVEPLUME-SNVBAGLBSA-N -1 3 361.755 3.068 20 0 FGADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)N[C@@H](CC1CC1)c1ccccc1 ZINC000823257318 599415162 /nfs/dbraw/zinc/41/51/62/599415162.db2.gz IFVIZLAPVMQMKJ-SFHVURJKSA-N -1 3 362.437 3.207 20 0 FGADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)N[C@@H](CC1CC1)c1ccccc1 ZINC000823257318 599415163 /nfs/dbraw/zinc/41/51/63/599415163.db2.gz IFVIZLAPVMQMKJ-SFHVURJKSA-N -1 3 362.437 3.207 20 0 FGADHM C[C@@H](NC(=O)N[C@@H](C)c1c(F)cccc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000820353079 599416349 /nfs/dbraw/zinc/41/63/49/599416349.db2.gz XXMWGSRCPAVXHT-MNOVXSKESA-N -1 3 372.379 3.266 20 0 FGADHM C[C@@H](NC(=O)N[C@@H](C)c1c(F)cccc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000820353079 599416352 /nfs/dbraw/zinc/41/63/52/599416352.db2.gz XXMWGSRCPAVXHT-MNOVXSKESA-N -1 3 372.379 3.266 20 0 FGADHM Cc1cnn(-c2ccc(C)cc2NCc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000822224882 607375526 /nfs/dbraw/zinc/37/55/26/607375526.db2.gz DPWCKXJRKOTQBP-UHFFFAOYSA-N -1 3 363.400 3.420 20 0 FGADHM Cc1cnn(-c2ccc(C)cc2NCc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000822224882 607375528 /nfs/dbraw/zinc/37/55/28/607375528.db2.gz DPWCKXJRKOTQBP-UHFFFAOYSA-N -1 3 363.400 3.420 20 0 FGADHM Cc1ccccc1C[C@@H](C)NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822356469 599423425 /nfs/dbraw/zinc/42/34/25/599423425.db2.gz UHOXNBIMCJOKSG-CABCVRRESA-N -1 3 364.453 3.167 20 0 FGADHM Cc1ccccc1C[C@@H](C)NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822356469 599423428 /nfs/dbraw/zinc/42/34/28/599423428.db2.gz UHOXNBIMCJOKSG-CABCVRRESA-N -1 3 364.453 3.167 20 0 FGADHM CC(=O)Nc1ccc(CCNc2cc(Cl)ccc2-c2nnn[n-]2)cc1 ZINC000735483919 599428586 /nfs/dbraw/zinc/42/85/86/599428586.db2.gz CWXZUZMNDNDIAM-UHFFFAOYSA-N -1 3 356.817 3.133 20 0 FGADHM CC(=O)Nc1ccc(CCNc2cc(Cl)ccc2-c2nn[n-]n2)cc1 ZINC000735483919 599428591 /nfs/dbraw/zinc/42/85/91/599428591.db2.gz CWXZUZMNDNDIAM-UHFFFAOYSA-N -1 3 356.817 3.133 20 0 FGADHM Fc1ccc2c(c1)[C@H](Nc1cc(-c3nnn[n-]3)c3ccccc3n1)CCO2 ZINC000737666250 599434718 /nfs/dbraw/zinc/43/47/18/599434718.db2.gz JWAUZHUQXPCFSC-MRXNPFEDSA-N -1 3 362.368 3.490 20 0 FGADHM Fc1ccc2c(c1)[C@H](Nc1cc(-c3nn[n-]n3)c3ccccc3n1)CCO2 ZINC000737666250 599434723 /nfs/dbraw/zinc/43/47/23/599434723.db2.gz JWAUZHUQXPCFSC-MRXNPFEDSA-N -1 3 362.368 3.490 20 0 FGADHM COc1ccc(CN[C@@H](C)c2nc3c(s2)CCCC3)cc1-c1nnn[n-]1 ZINC000821803050 599442595 /nfs/dbraw/zinc/44/25/95/599442595.db2.gz AVXIFBCWEVXZQR-NSHDSACASA-N -1 3 370.482 3.061 20 0 FGADHM CCC[C@H](C)c1cc(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)n[nH]1 ZINC000821014331 599445253 /nfs/dbraw/zinc/44/52/53/599445253.db2.gz DWZFWFMGTQXUKA-NSHDSACASA-N -1 3 371.470 3.224 20 0 FGADHM CCC[C@H](C)c1cc(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)n[nH]1 ZINC000821014331 599445254 /nfs/dbraw/zinc/44/52/54/599445254.db2.gz DWZFWFMGTQXUKA-NSHDSACASA-N -1 3 371.470 3.224 20 0 FGADHM Cc1cccc([C@H](C)CNC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000822289545 599447136 /nfs/dbraw/zinc/44/71/36/599447136.db2.gz ZBXLDUDZSWIBFQ-CABCVRRESA-N -1 3 364.453 3.339 20 0 FGADHM Cc1cccc([C@H](C)CNC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000822289545 599447138 /nfs/dbraw/zinc/44/71/38/599447138.db2.gz ZBXLDUDZSWIBFQ-CABCVRRESA-N -1 3 364.453 3.339 20 0 FGADHM C[C@@H](NC(=O)CCc1cc(Cl)cs1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736106859 599464677 /nfs/dbraw/zinc/46/46/77/599464677.db2.gz WIBDSBKIBVIPCO-SNVBAGLBSA-N -1 3 361.858 3.392 20 0 FGADHM C[C@@H](NC(=O)CCc1cc(Cl)cs1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736106859 599464681 /nfs/dbraw/zinc/46/46/81/599464681.db2.gz WIBDSBKIBVIPCO-SNVBAGLBSA-N -1 3 361.858 3.392 20 0 FGADHM CCN(CCc1ccccc1)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821215984 599471279 /nfs/dbraw/zinc/47/12/79/599471279.db2.gz YKOLQDKJGVDPDO-OAHLLOKOSA-N -1 3 364.453 3.202 20 0 FGADHM CCN(CCc1ccccc1)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821215984 599471281 /nfs/dbraw/zinc/47/12/81/599471281.db2.gz YKOLQDKJGVDPDO-OAHLLOKOSA-N -1 3 364.453 3.202 20 0 FGADHM Cc1cc(C)c(-c2nnn[n-]2)c(N2C[C@H](c3ccc(F)cc3)C[C@@H]2C)n1 ZINC000737247066 599472062 /nfs/dbraw/zinc/47/20/62/599472062.db2.gz YOQSPYMMLVZBSR-DZGCQCFKSA-N -1 3 352.417 3.400 20 0 FGADHM Cc1cc(C)c(-c2nn[n-]n2)c(N2C[C@H](c3ccc(F)cc3)C[C@@H]2C)n1 ZINC000737247066 599472064 /nfs/dbraw/zinc/47/20/64/599472064.db2.gz YOQSPYMMLVZBSR-DZGCQCFKSA-N -1 3 352.417 3.400 20 0 FGADHM Cc1ccc([C@@H](C)NC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)s1 ZINC000822228713 599472052 /nfs/dbraw/zinc/47/20/52/599472052.db2.gz CYZIMWFTNDHHCH-VXGBXAGGSA-N -1 3 356.455 3.358 20 0 FGADHM Cc1ccc([C@@H](C)NC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)s1 ZINC000822228713 599472054 /nfs/dbraw/zinc/47/20/54/599472054.db2.gz CYZIMWFTNDHHCH-VXGBXAGGSA-N -1 3 356.455 3.358 20 0 FGADHM CC(C)CCOC1CCN(c2c(-c3nnn[n-]3)cnc3ccccc32)CC1 ZINC000820076709 599478640 /nfs/dbraw/zinc/47/86/40/599478640.db2.gz RYBAVSUSDZDQAQ-UHFFFAOYSA-N -1 3 366.469 3.446 20 0 FGADHM CC(C)CCOC1CCN(c2c(-c3nn[n-]n3)cnc3ccccc32)CC1 ZINC000820076709 599478643 /nfs/dbraw/zinc/47/86/43/599478643.db2.gz RYBAVSUSDZDQAQ-UHFFFAOYSA-N -1 3 366.469 3.446 20 0 FGADHM CCN(C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1)[C@@H](C)c1cccnc1 ZINC000821153946 599481176 /nfs/dbraw/zinc/48/11/76/599481176.db2.gz HXXKZWQUAVESAH-KGLIPLIRSA-N -1 3 365.441 3.115 20 0 FGADHM CCN(C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1)[C@@H](C)c1cccnc1 ZINC000821153946 599481177 /nfs/dbraw/zinc/48/11/77/599481177.db2.gz HXXKZWQUAVESAH-KGLIPLIRSA-N -1 3 365.441 3.115 20 0 FGADHM CCN(C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)[C@@H](C)c1cccnc1 ZINC000821153945 599481260 /nfs/dbraw/zinc/48/12/60/599481260.db2.gz HXXKZWQUAVESAH-KBPBESRZSA-N -1 3 365.441 3.115 20 0 FGADHM CCN(C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)[C@@H](C)c1cccnc1 ZINC000821153945 599481261 /nfs/dbraw/zinc/48/12/61/599481261.db2.gz HXXKZWQUAVESAH-KBPBESRZSA-N -1 3 365.441 3.115 20 0 FGADHM Clc1cccc(Cl)c1CNCc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000737574381 599489532 /nfs/dbraw/zinc/48/95/32/599489532.db2.gz JLBGJAOTDNQQDR-UHFFFAOYSA-N -1 3 374.235 3.111 20 0 FGADHM Clc1cccc(Cl)c1CNCc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000737574381 599489533 /nfs/dbraw/zinc/48/95/33/599489533.db2.gz JLBGJAOTDNQQDR-UHFFFAOYSA-N -1 3 374.235 3.111 20 0 FGADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N[C@H]1CCc2c1cccc2F ZINC000822335210 599493685 /nfs/dbraw/zinc/49/36/85/599493685.db2.gz JCHFYGMMXBXCEZ-KRWDZBQOSA-N -1 3 360.396 3.384 20 0 FGADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N[C@H]1CCc2c1cccc2F ZINC000822335210 599493688 /nfs/dbraw/zinc/49/36/88/599493688.db2.gz JCHFYGMMXBXCEZ-KRWDZBQOSA-N -1 3 360.396 3.384 20 0 FGADHM CC(C)(C(=O)OCc1cc(-c2nnn[n-]2)ccc1F)c1cccc(F)c1 ZINC000735582554 599498041 /nfs/dbraw/zinc/49/80/41/599498041.db2.gz KQYNARGSQMUJMS-UHFFFAOYSA-N -1 3 358.348 3.166 20 0 FGADHM CC(C)(C(=O)OCc1cc(-c2nn[n-]n2)ccc1F)c1cccc(F)c1 ZINC000735582554 599498043 /nfs/dbraw/zinc/49/80/43/599498043.db2.gz KQYNARGSQMUJMS-UHFFFAOYSA-N -1 3 358.348 3.166 20 0 FGADHM C[C@H](NC(=O)C=Cc1ccc(Cl)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820322096 599503240 /nfs/dbraw/zinc/50/32/40/599503240.db2.gz QPMPKAAQHISYNL-PMDBQALLSA-N -1 3 353.813 3.411 20 0 FGADHM C[C@H](NC(=O)C=Cc1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820322096 599503242 /nfs/dbraw/zinc/50/32/42/599503242.db2.gz QPMPKAAQHISYNL-PMDBQALLSA-N -1 3 353.813 3.411 20 0 FGADHM C[C@@H](NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1cccc(-c2nnn[n-]2)c1 ZINC000820389939 599504378 /nfs/dbraw/zinc/50/43/78/599504378.db2.gz CFMMKIFUSWLDFD-SNVBAGLBSA-N -1 3 366.812 3.492 20 0 FGADHM C[C@@H](NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1cccc(-c2nn[n-]n2)c1 ZINC000820389939 599504380 /nfs/dbraw/zinc/50/43/80/599504380.db2.gz CFMMKIFUSWLDFD-SNVBAGLBSA-N -1 3 366.812 3.492 20 0 FGADHM Cc1cccc(N[C@@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000737399431 599504688 /nfs/dbraw/zinc/50/46/88/599504688.db2.gz JZZNYPGRVRRSAB-NSHDSACASA-N -1 3 356.817 3.268 20 0 FGADHM Cc1cccc(N[C@@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000737399431 599504691 /nfs/dbraw/zinc/50/46/91/599504691.db2.gz JZZNYPGRVRRSAB-NSHDSACASA-N -1 3 356.817 3.268 20 0 FGADHM Cc1cc(C)c(OCC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c(C)c1 ZINC000822194106 599510568 /nfs/dbraw/zinc/51/05/68/599510568.db2.gz IQRTUIBIXYAFMW-OAHLLOKOSA-N -1 3 365.437 3.048 20 0 FGADHM Cc1cc(C)c(OCC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c(C)c1 ZINC000822194106 599510569 /nfs/dbraw/zinc/51/05/69/599510569.db2.gz IQRTUIBIXYAFMW-OAHLLOKOSA-N -1 3 365.437 3.048 20 0 FGADHM C[C@H](NC(=O)[C@H]1C[C@]12CCCc1ccccc12)c1cccc(-c2nnn[n-]2)c1 ZINC000820323733 599516820 /nfs/dbraw/zinc/51/68/20/599516820.db2.gz YUPLZXCOJXSAFF-BANJIEJESA-N -1 3 373.460 3.338 20 0 FGADHM C[C@H](NC(=O)[C@H]1C[C@]12CCCc1ccccc12)c1cccc(-c2nn[n-]n2)c1 ZINC000820323733 599516821 /nfs/dbraw/zinc/51/68/21/599516821.db2.gz YUPLZXCOJXSAFF-BANJIEJESA-N -1 3 373.460 3.338 20 0 FGADHM Cc1cccc(OCCCC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000822327360 599518394 /nfs/dbraw/zinc/51/83/94/599518394.db2.gz HBSRBWCVRGMBDA-HNNXBMFYSA-N -1 3 365.437 3.212 20 0 FGADHM Cc1cccc(OCCCC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000822327360 599518397 /nfs/dbraw/zinc/51/83/97/599518397.db2.gz HBSRBWCVRGMBDA-HNNXBMFYSA-N -1 3 365.437 3.212 20 0 FGADHM C[C@@H](CC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC000820220110 599518586 /nfs/dbraw/zinc/51/85/86/599518586.db2.gz NNFMVFWZSXZUMT-STQMWFEESA-N -1 3 353.401 3.377 20 0 FGADHM C[C@@H](CC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC000820220110 599518588 /nfs/dbraw/zinc/51/85/88/599518588.db2.gz NNFMVFWZSXZUMT-STQMWFEESA-N -1 3 353.401 3.377 20 0 FGADHM C[C@@H](C[C@@H](O)c1ccc(F)cc1)Nc1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820233426 607382163 /nfs/dbraw/zinc/38/21/63/607382163.db2.gz KFYAIYRARMLLJH-BJOHPYRUSA-N -1 3 363.343 3.208 20 0 FGADHM C[C@@H](C[C@@H](O)c1ccc(F)cc1)Nc1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820233426 607382165 /nfs/dbraw/zinc/38/21/65/607382165.db2.gz KFYAIYRARMLLJH-BJOHPYRUSA-N -1 3 363.343 3.208 20 0 FGADHM C[C@H](NC(=O)CSc1ccccc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000820333809 599523698 /nfs/dbraw/zinc/52/36/98/599523698.db2.gz GPXFWFRUIQFKPG-NSHDSACASA-N -1 3 373.869 3.490 20 0 FGADHM C[C@H](NC(=O)CSc1ccccc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000820333809 599523699 /nfs/dbraw/zinc/52/36/99/599523699.db2.gz GPXFWFRUIQFKPG-NSHDSACASA-N -1 3 373.869 3.490 20 0 FGADHM C[C@H](NC(=O)c1cc(-c2ccccc2)no1)c1cccc(-c2nnn[n-]2)c1 ZINC000820385225 599523831 /nfs/dbraw/zinc/52/38/31/599523831.db2.gz QTJUDEMWVRBWBU-LBPRGKRZSA-N -1 3 360.377 3.013 20 0 FGADHM C[C@H](NC(=O)c1cc(-c2ccccc2)no1)c1cccc(-c2nn[n-]n2)c1 ZINC000820385225 599523833 /nfs/dbraw/zinc/52/38/33/599523833.db2.gz QTJUDEMWVRBWBU-LBPRGKRZSA-N -1 3 360.377 3.013 20 0 FGADHM COC(=O)Nc1ccc(CCNc2cc(Cl)ccc2-c2nnn[n-]2)cc1 ZINC000736938856 599527050 /nfs/dbraw/zinc/52/70/50/599527050.db2.gz GJUNYCINQDVQFY-UHFFFAOYSA-N -1 3 372.816 3.353 20 0 FGADHM COC(=O)Nc1ccc(CCNc2cc(Cl)ccc2-c2nn[n-]n2)cc1 ZINC000736938856 599527052 /nfs/dbraw/zinc/52/70/52/599527052.db2.gz GJUNYCINQDVQFY-UHFFFAOYSA-N -1 3 372.816 3.353 20 0 FGADHM C[C@H]1CCc2ccccc2N1C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736281990 599539290 /nfs/dbraw/zinc/53/92/90/599539290.db2.gz YZYYEBIGBKICRI-ZDUSSCGKSA-N -1 3 365.462 3.327 20 0 FGADHM C[C@H]1CCc2ccccc2N1C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736281990 599539293 /nfs/dbraw/zinc/53/92/93/599539293.db2.gz YZYYEBIGBKICRI-ZDUSSCGKSA-N -1 3 365.462 3.327 20 0 FGADHM Cc1cc(C)n([C@@H]2CCCN(c3ccc(-c4nnn[n-]4)c(Cl)c3)C2)n1 ZINC000822197518 599539352 /nfs/dbraw/zinc/53/93/52/599539352.db2.gz DLATYYGFOVZJGM-CQSZACIVSA-N -1 3 357.849 3.175 20 0 FGADHM Cc1cc(C)n([C@@H]2CCCN(c3ccc(-c4nn[n-]n4)c(Cl)c3)C2)n1 ZINC000822197518 599539354 /nfs/dbraw/zinc/53/93/54/599539354.db2.gz DLATYYGFOVZJGM-CQSZACIVSA-N -1 3 357.849 3.175 20 0 FGADHM Cc1cc(C)n([C@H]2CCCN(c3cc(-c4nnn[n-]4)c4ccccc4n3)C2)n1 ZINC000822197717 599539507 /nfs/dbraw/zinc/53/95/07/599539507.db2.gz MLBAWJNMAMELIL-HNNXBMFYSA-N -1 3 374.452 3.070 20 0 FGADHM Cc1cc(C)n([C@H]2CCCN(c3cc(-c4nn[n-]n4)c4ccccc4n3)C2)n1 ZINC000822197717 599539509 /nfs/dbraw/zinc/53/95/09/599539509.db2.gz MLBAWJNMAMELIL-HNNXBMFYSA-N -1 3 374.452 3.070 20 0 FGADHM C[C@@H](NC(=O)[C@H]1SCCc2sccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820322368 599541013 /nfs/dbraw/zinc/54/10/13/599541013.db2.gz ROSDAIBHNPWDOQ-BMIGLBTASA-N -1 3 371.491 3.136 20 0 FGADHM C[C@@H](NC(=O)[C@H]1SCCc2sccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820322368 599541016 /nfs/dbraw/zinc/54/10/16/599541016.db2.gz ROSDAIBHNPWDOQ-BMIGLBTASA-N -1 3 371.491 3.136 20 0 FGADHM O=C(C1CCC1)N(CCCNc1c(Cl)cccc1-c1nnn[n-]1)C1CC1 ZINC000822918075 599548096 /nfs/dbraw/zinc/54/80/96/599548096.db2.gz ZHVRNRIRUUMEFF-UHFFFAOYSA-N -1 3 374.876 3.113 20 0 FGADHM O=C(C1CCC1)N(CCCNc1c(Cl)cccc1-c1nn[n-]n1)C1CC1 ZINC000822918075 599548099 /nfs/dbraw/zinc/54/80/99/599548099.db2.gz ZHVRNRIRUUMEFF-UHFFFAOYSA-N -1 3 374.876 3.113 20 0 FGADHM CCOC[C@H]1CCCN(c2c(-c3nnn[n-]3)cnc3c(C)cc(F)cc32)C1 ZINC000821369170 599557801 /nfs/dbraw/zinc/55/78/01/599557801.db2.gz XNEMNNNHRBCQOM-ZDUSSCGKSA-N -1 3 370.432 3.115 20 0 FGADHM CCOC[C@H]1CCCN(c2c(-c3nn[n-]n3)cnc3c(C)cc(F)cc32)C1 ZINC000821369170 599557804 /nfs/dbraw/zinc/55/78/04/599557804.db2.gz XNEMNNNHRBCQOM-ZDUSSCGKSA-N -1 3 370.432 3.115 20 0 FGADHM CCOC[C@@H]1CCCN(c2c(-c3nnn[n-]3)cnc3c(C)cc(F)cc32)C1 ZINC000821369165 599558010 /nfs/dbraw/zinc/55/80/10/599558010.db2.gz XNEMNNNHRBCQOM-CYBMUJFWSA-N -1 3 370.432 3.115 20 0 FGADHM CCOC[C@@H]1CCCN(c2c(-c3nn[n-]n3)cnc3c(C)cc(F)cc32)C1 ZINC000821369165 599558011 /nfs/dbraw/zinc/55/80/11/599558011.db2.gz XNEMNNNHRBCQOM-CYBMUJFWSA-N -1 3 370.432 3.115 20 0 FGADHM Cc1cc2c(cc1C)O[C@H](C(=O)Nc1ccc(Cl)c(-c3nnn[n-]3)c1)C2 ZINC000822212756 599558813 /nfs/dbraw/zinc/55/88/13/599558813.db2.gz GHWGSTQOSACAHX-INIZCTEOSA-N -1 3 369.812 3.079 20 0 FGADHM Cc1cc2c(cc1C)O[C@H](C(=O)Nc1ccc(Cl)c(-c3nn[n-]n3)c1)C2 ZINC000822212756 599558815 /nfs/dbraw/zinc/55/88/15/599558815.db2.gz GHWGSTQOSACAHX-INIZCTEOSA-N -1 3 369.812 3.079 20 0 FGADHM CC(C)(C)c1ccc([C@@H](O)CNc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000819957607 599559952 /nfs/dbraw/zinc/55/99/52/599559952.db2.gz BPDGCVSEIUHMIO-KRWDZBQOSA-N -1 3 355.417 3.449 20 0 FGADHM CC(C)(C)c1ccc([C@@H](O)CNc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000819957607 599559953 /nfs/dbraw/zinc/55/99/53/599559953.db2.gz BPDGCVSEIUHMIO-KRWDZBQOSA-N -1 3 355.417 3.449 20 0 FGADHM COc1cc(COC(=O)c2ccc(-c3nnn[n-]3)cc2C)ccc1SC ZINC000826179870 607384106 /nfs/dbraw/zinc/38/41/06/607384106.db2.gz IXBNIVXSOVNIAD-UHFFFAOYSA-N -1 3 370.434 3.263 20 0 FGADHM COc1cc(COC(=O)c2ccc(-c3nn[n-]n3)cc2C)ccc1SC ZINC000826179870 607384108 /nfs/dbraw/zinc/38/41/08/607384108.db2.gz IXBNIVXSOVNIAD-UHFFFAOYSA-N -1 3 370.434 3.263 20 0 FGADHM O=C(c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)N1C[C@@H]2CCC[C@H]21 ZINC000738274326 599574075 /nfs/dbraw/zinc/57/40/75/599574075.db2.gz RNWVKVSNFUMGSA-MAUKXSAKSA-N -1 3 361.405 3.284 20 0 FGADHM O=C(c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)N1C[C@@H]2CCC[C@H]21 ZINC000738274326 599574076 /nfs/dbraw/zinc/57/40/76/599574076.db2.gz RNWVKVSNFUMGSA-MAUKXSAKSA-N -1 3 361.405 3.284 20 0 FGADHM C[C@H]1CN(Cc2cn3ccccc3c2-c2nnn[n-]2)[C@@H](c2ccccc2)CO1 ZINC000820758652 599594146 /nfs/dbraw/zinc/59/41/46/599594146.db2.gz AUIZJTXLXJHTIM-HNAYVOBHSA-N -1 3 374.448 3.081 20 0 FGADHM C[C@H]1CN(Cc2cn3ccccc3c2-c2nn[n-]n2)[C@@H](c2ccccc2)CO1 ZINC000820758652 599594147 /nfs/dbraw/zinc/59/41/47/599594147.db2.gz AUIZJTXLXJHTIM-HNAYVOBHSA-N -1 3 374.448 3.081 20 0 FGADHM O=C(CC/C=C\c1ccccc1)OCCOc1ccccc1-c1nnn[n-]1 ZINC000737826211 599606277 /nfs/dbraw/zinc/60/62/77/599606277.db2.gz REWMHPGQLULBKG-WMZJFQQLSA-N -1 3 364.405 3.282 20 0 FGADHM O=C(CC/C=C\c1ccccc1)OCCOc1ccccc1-c1nn[n-]n1 ZINC000737826211 599606279 /nfs/dbraw/zinc/60/62/79/599606279.db2.gz REWMHPGQLULBKG-WMZJFQQLSA-N -1 3 364.405 3.282 20 0 FGADHM C[C@@H](Cc1ccccc1F)C(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000736067638 599607473 /nfs/dbraw/zinc/60/74/73/599607473.db2.gz YEPGNEUQESWSTP-NSHDSACASA-N -1 3 358.348 3.067 20 0 FGADHM C[C@@H](Cc1ccccc1F)C(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000736067638 599607474 /nfs/dbraw/zinc/60/74/74/599607474.db2.gz YEPGNEUQESWSTP-NSHDSACASA-N -1 3 358.348 3.067 20 0 FGADHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)[C@@H](C)c1cccs1 ZINC000736038570 599617883 /nfs/dbraw/zinc/61/78/83/599617883.db2.gz WABUJCGAWPHXDR-NEPJUHHUSA-N -1 3 358.423 3.042 20 0 FGADHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)[C@@H](C)c1cccs1 ZINC000736038570 599617885 /nfs/dbraw/zinc/61/78/85/599617885.db2.gz WABUJCGAWPHXDR-NEPJUHHUSA-N -1 3 358.423 3.042 20 0 FGADHM Cc1c(Br)cccc1C(=O)OCc1ccccc1-c1nnn[n-]1 ZINC000822015536 599621622 /nfs/dbraw/zinc/62/16/22/599621622.db2.gz MFPDAHSJLSHWML-UHFFFAOYSA-N -1 3 373.210 3.295 20 0 FGADHM Cc1c(Br)cccc1C(=O)OCc1ccccc1-c1nn[n-]n1 ZINC000822015536 599621623 /nfs/dbraw/zinc/62/16/23/599621623.db2.gz MFPDAHSJLSHWML-UHFFFAOYSA-N -1 3 373.210 3.295 20 0 FGADHM C[C@@H](C(=O)OCCOc1ccc(-c2nn[n-]n2)cc1)c1cccc(Cl)c1 ZINC000819883764 599623600 /nfs/dbraw/zinc/62/36/00/599623600.db2.gz MNQGQNSZRKWAOA-GFCCVEGCSA-N -1 3 372.812 3.246 20 0 FGADHM CO[C@@H](C)CCOC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821673820 599626992 /nfs/dbraw/zinc/62/69/92/599626992.db2.gz MAEFFCHVBCKUAI-ZDUSSCGKSA-N -1 3 368.393 3.241 20 0 FGADHM CO[C@@H](C)CCOC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821673820 599626993 /nfs/dbraw/zinc/62/69/93/599626993.db2.gz MAEFFCHVBCKUAI-ZDUSSCGKSA-N -1 3 368.393 3.241 20 0 FGADHM COc1cccc([C@H](C)OC(=O)CCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821858099 599627904 /nfs/dbraw/zinc/62/79/04/599627904.db2.gz DAKNTJXBUWQACU-ZDUSSCGKSA-N -1 3 352.394 3.112 20 0 FGADHM COc1cccc([C@H](C)OC(=O)CCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821858099 599627905 /nfs/dbraw/zinc/62/79/05/599627905.db2.gz DAKNTJXBUWQACU-ZDUSSCGKSA-N -1 3 352.394 3.112 20 0 FGADHM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)N(C)c1cccc(-c2nnn[n-]2)c1 ZINC000820939119 599627916 /nfs/dbraw/zinc/62/79/16/599627916.db2.gz QTJSEVNJXCTTOJ-XYPHTWIQSA-N -1 3 357.458 3.203 20 0 FGADHM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)N(C)c1cccc(-c2nn[n-]n2)c1 ZINC000820939119 599627917 /nfs/dbraw/zinc/62/79/17/599627917.db2.gz QTJSEVNJXCTTOJ-XYPHTWIQSA-N -1 3 357.458 3.203 20 0 FGADHM C[C@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2)C(F)(F)F ZINC000819876869 599628362 /nfs/dbraw/zinc/62/83/62/599628362.db2.gz JOIIVVHSFIITFT-SSDOTTSWSA-N -1 3 359.377 3.334 20 0 FGADHM C[C@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2)C(F)(F)F ZINC000819876869 599628363 /nfs/dbraw/zinc/62/83/63/599628363.db2.gz JOIIVVHSFIITFT-SSDOTTSWSA-N -1 3 359.377 3.334 20 0 FGADHM C[C@H]1CC[C@H](CCC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)O1 ZINC000820690662 599628467 /nfs/dbraw/zinc/62/84/67/599628467.db2.gz PRZCWSGFKGRGKD-WDEREUQCSA-N -1 3 361.471 3.093 20 0 FGADHM C[C@H]1CC[C@H](CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)O1 ZINC000820690662 599628468 /nfs/dbraw/zinc/62/84/68/599628468.db2.gz PRZCWSGFKGRGKD-WDEREUQCSA-N -1 3 361.471 3.093 20 0 FGADHM Cc1sc(NC(=O)[C@H]2Cc3cc(C)c(C)cc3O2)c(-c2nnn[n-]2)c1C ZINC000822212643 599628746 /nfs/dbraw/zinc/62/87/46/599628746.db2.gz AFWVDEJZRSFZBV-CQSZACIVSA-N -1 3 369.450 3.104 20 0 FGADHM Cc1sc(NC(=O)[C@H]2Cc3cc(C)c(C)cc3O2)c(-c2nn[n-]n2)c1C ZINC000822212643 599628747 /nfs/dbraw/zinc/62/87/47/599628747.db2.gz AFWVDEJZRSFZBV-CQSZACIVSA-N -1 3 369.450 3.104 20 0 FGADHM CC(C)(C)c1ncc(C=CC(=O)Nc2sccc2-c2nnn[n-]2)s1 ZINC000819965284 599629357 /nfs/dbraw/zinc/62/93/57/599629357.db2.gz AAPDNZVCYMAUQN-PLNGDYQASA-N -1 3 360.468 3.334 20 0 FGADHM CC(C)(C)c1ncc(C=CC(=O)Nc2sccc2-c2nn[n-]n2)s1 ZINC000819965284 599629358 /nfs/dbraw/zinc/62/93/58/599629358.db2.gz AAPDNZVCYMAUQN-PLNGDYQASA-N -1 3 360.468 3.334 20 0 FGADHM Cc1cccc(C)c1C(=O)NCCSCc1ccccc1-c1nnn[n-]1 ZINC000822293881 599629982 /nfs/dbraw/zinc/62/99/82/599629982.db2.gz QAWFDFMXQXWDCB-UHFFFAOYSA-N -1 3 367.478 3.147 20 0 FGADHM Cc1cccc(C)c1C(=O)NCCSCc1ccccc1-c1nn[n-]n1 ZINC000822293881 599629983 /nfs/dbraw/zinc/62/99/83/599629983.db2.gz QAWFDFMXQXWDCB-UHFFFAOYSA-N -1 3 367.478 3.147 20 0 FGADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCCCC2)[C@H]1CCCS1 ZINC000823387710 599630714 /nfs/dbraw/zinc/63/07/14/599630714.db2.gz VJTFYFLUHRIACL-GFCCVEGCSA-N -1 3 363.512 3.421 20 0 FGADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCCCC2)[C@H]1CCCS1 ZINC000823387710 599630715 /nfs/dbraw/zinc/63/07/15/599630715.db2.gz VJTFYFLUHRIACL-GFCCVEGCSA-N -1 3 363.512 3.421 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H](c1ccccc1)C(C)C ZINC000821755977 599630757 /nfs/dbraw/zinc/63/07/57/599630757.db2.gz LBGFVDNWCGUKTD-QGZVFWFLSA-N -1 3 351.410 3.254 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H](c1ccccc1)C(C)C ZINC000821755977 599630758 /nfs/dbraw/zinc/63/07/58/599630758.db2.gz LBGFVDNWCGUKTD-QGZVFWFLSA-N -1 3 351.410 3.254 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C1(C(F)(F)F)CC1 ZINC000823303541 599633925 /nfs/dbraw/zinc/63/39/25/599633925.db2.gz MBMBSPOONVCCNW-UHFFFAOYSA-N -1 3 365.237 3.167 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C1(C(F)(F)F)CC1 ZINC000823303541 599633926 /nfs/dbraw/zinc/63/39/26/599633926.db2.gz MBMBSPOONVCCNW-UHFFFAOYSA-N -1 3 365.237 3.167 20 0 FGADHM C[C@H](CCOc1ccccc1)C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820248677 599647791 /nfs/dbraw/zinc/64/77/91/599647791.db2.gz MGOQOTQDSAQOPP-CABCVRRESA-N -1 3 365.437 3.149 20 0 FGADHM C[C@H](CCOc1ccccc1)C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820248677 599647792 /nfs/dbraw/zinc/64/77/92/599647792.db2.gz MGOQOTQDSAQOPP-CABCVRRESA-N -1 3 365.437 3.149 20 0 FGADHM Cc1ccc2c(CCC(=O)N[C@H](C)c3cccc(-c4nnn[n-]4)c3)c[nH]c2c1 ZINC000822274657 599652095 /nfs/dbraw/zinc/65/20/95/599652095.db2.gz DUFOGKSWSGHSEK-CQSZACIVSA-N -1 3 374.448 3.466 20 0 FGADHM Cc1ccc2c(CCC(=O)N[C@H](C)c3cccc(-c4nn[n-]n4)c3)c[nH]c2c1 ZINC000822274657 599652096 /nfs/dbraw/zinc/65/20/96/599652096.db2.gz DUFOGKSWSGHSEK-CQSZACIVSA-N -1 3 374.448 3.466 20 0 FGADHM Cc1c(F)cccc1NC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000822035483 599657612 /nfs/dbraw/zinc/65/76/12/599657612.db2.gz VMRHERSNIMHQAC-UHFFFAOYSA-N -1 3 357.414 3.186 20 0 FGADHM Cc1c(F)cccc1NC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000822035483 599657613 /nfs/dbraw/zinc/65/76/13/599657613.db2.gz VMRHERSNIMHQAC-UHFFFAOYSA-N -1 3 357.414 3.186 20 0 FGADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1)c1c[nH]cc1-c1ccc(F)cc1 ZINC000823417844 599665644 /nfs/dbraw/zinc/66/56/44/599665644.db2.gz KNNLDAOWSBYKER-UHFFFAOYSA-N -1 3 363.352 3.358 20 0 FGADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1)c1c[nH]cc1-c1ccc(F)cc1 ZINC000823417844 599665645 /nfs/dbraw/zinc/66/56/45/599665645.db2.gz KNNLDAOWSBYKER-UHFFFAOYSA-N -1 3 363.352 3.358 20 0 FGADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000823235172 599667700 /nfs/dbraw/zinc/66/77/00/599667700.db2.gz SEVFZYSXIMTKGR-WOSRLPQWSA-N -1 3 372.448 3.164 20 0 FGADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000823235172 599667701 /nfs/dbraw/zinc/66/77/01/599667701.db2.gz SEVFZYSXIMTKGR-WOSRLPQWSA-N -1 3 372.448 3.164 20 0 FGADHM Cc1ccccc1-c1noc([C@H](C)Sc2ccc(-c3nnn[n-]3)cn2)n1 ZINC000822345438 599690187 /nfs/dbraw/zinc/69/01/87/599690187.db2.gz IZKZQOCUDFMFPH-NSHDSACASA-N -1 3 365.422 3.473 20 0 FGADHM Cc1ccccc1-c1noc([C@H](C)Sc2ccc(-c3nn[n-]n3)cn2)n1 ZINC000822345438 599690188 /nfs/dbraw/zinc/69/01/88/599690188.db2.gz IZKZQOCUDFMFPH-NSHDSACASA-N -1 3 365.422 3.473 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)[C@H]1C[C@@H]1c1sccc1C ZINC000826184276 607390776 /nfs/dbraw/zinc/39/07/76/607390776.db2.gz QZBQLZLYBAJAOS-KBPBESRZSA-N -1 3 370.434 3.092 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)[C@H]1C[C@@H]1c1sccc1C ZINC000826184276 607390778 /nfs/dbraw/zinc/39/07/78/607390778.db2.gz QZBQLZLYBAJAOS-KBPBESRZSA-N -1 3 370.434 3.092 20 0 FGADHM C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)CN1CCCC[C@H]1CC(=O)[O-] ZINC000650504323 599755091 /nfs/dbraw/zinc/75/50/91/599755091.db2.gz IJPVHVCJXLBTGL-LPHOPBHVSA-N -1 3 358.482 3.143 20 0 FGADHM C[C@H](c1ccc(C(=O)[O-])o1)N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000736715700 599791638 /nfs/dbraw/zinc/79/16/38/599791638.db2.gz VZNCRZVYSDDYTQ-OLZOCXBDSA-N -1 3 352.431 3.228 20 0 FGADHM CCCN(Cc1ccoc1C(=O)[O-])[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000737021181 599794594 /nfs/dbraw/zinc/79/45/94/599794594.db2.gz QJTCTSIBSBZOQC-CQSZACIVSA-N -1 3 352.431 3.199 20 0 FGADHM CN(C)[C@@H](CNC(=O)Nc1ccc(CCC(=O)[O-])cc1)c1ccccc1 ZINC000737360391 599827219 /nfs/dbraw/zinc/82/72/19/599827219.db2.gz XOLUIXCOACOCCI-SFHVURJKSA-N -1 3 355.438 3.128 20 0 FGADHM Cc1cc(F)c(C(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)cc1F ZINC000822202303 607401414 /nfs/dbraw/zinc/40/14/14/607401414.db2.gz VCPLAIWBENUMDP-UHFFFAOYSA-N -1 3 373.363 3.493 20 0 FGADHM Cc1cc(F)c(C(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)cc1F ZINC000822202303 607401415 /nfs/dbraw/zinc/40/14/15/607401415.db2.gz VCPLAIWBENUMDP-UHFFFAOYSA-N -1 3 373.363 3.493 20 0 FGADHM CC(C)Oc1ccc(NC(=O)C2(c3ccccc3)CC2)cc1-c1nnn[n-]1 ZINC000820161583 607403437 /nfs/dbraw/zinc/40/34/37/607403437.db2.gz XKYRMTNAUNMYNY-UHFFFAOYSA-N -1 3 363.421 3.324 20 0 FGADHM CC(C)Oc1ccc(NC(=O)C2(c3ccccc3)CC2)cc1-c1nn[n-]n1 ZINC000820161583 607403439 /nfs/dbraw/zinc/40/34/39/607403439.db2.gz XKYRMTNAUNMYNY-UHFFFAOYSA-N -1 3 363.421 3.324 20 0 FGADHM COCc1ccc(C(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)cc1 ZINC000821695282 607403721 /nfs/dbraw/zinc/40/37/21/607403721.db2.gz QLROJHDOVUUDJE-UHFFFAOYSA-N -1 3 367.409 3.053 20 0 FGADHM COCc1ccc(C(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)cc1 ZINC000821695282 607403722 /nfs/dbraw/zinc/40/37/22/607403722.db2.gz QLROJHDOVUUDJE-UHFFFAOYSA-N -1 3 367.409 3.053 20 0 FGADHM CCO[C@H](C)c1ncc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2C)s1 ZINC000825576248 607403868 /nfs/dbraw/zinc/40/38/68/607403868.db2.gz CSGIXCRJJZUEEZ-LLVKDONJSA-N -1 3 373.438 3.086 20 0 FGADHM CCO[C@H](C)c1ncc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2C)s1 ZINC000825576248 607403870 /nfs/dbraw/zinc/40/38/70/607403870.db2.gz CSGIXCRJJZUEEZ-LLVKDONJSA-N -1 3 373.438 3.086 20 0 FGADHM C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)c2cccc(NC(=O)[O-])c2)C1 ZINC000736723571 599908616 /nfs/dbraw/zinc/90/86/16/599908616.db2.gz HKWMLXUUWQROHW-KBXCAEBGSA-N -1 3 353.422 3.342 20 0 FGADHM CC[C@H](NC(=O)CN(C[C@H](C)C(=O)[O-])C1CC1)c1ccc(Cl)cc1 ZINC000736910854 599948923 /nfs/dbraw/zinc/94/89/23/599948923.db2.gz OOPHXAZAALSXCN-LRDDRELGSA-N -1 3 352.862 3.092 20 0 FGADHM C[C@@H](NC(=O)CN(C[C@H](C)C(=O)[O-])C1CC1)c1ccc(Cl)c(Cl)c1 ZINC000736578521 599951012 /nfs/dbraw/zinc/95/10/12/599951012.db2.gz LQROGWINTRWRCA-WDEREUQCSA-N -1 3 373.280 3.356 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)CCc1ccccc1Cl ZINC000821741884 607410547 /nfs/dbraw/zinc/41/05/47/607410547.db2.gz VCCBYQCQCRPZQA-UHFFFAOYSA-N -1 3 372.812 3.205 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)CCc1ccccc1Cl ZINC000821741884 607410548 /nfs/dbraw/zinc/41/05/48/607410548.db2.gz VCCBYQCQCRPZQA-UHFFFAOYSA-N -1 3 372.812 3.205 20 0 FGADHM Cc1cc(NC(=O)N2CCN(CC3CCCCC3)CC2)ccc1C(=O)[O-] ZINC000738437513 600014914 /nfs/dbraw/zinc/01/49/14/600014914.db2.gz MVXVXQGUHZFCJH-UHFFFAOYSA-N -1 3 359.470 3.423 20 0 FGADHM CCCN1CCC[C@@H]1C(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000737030537 600075530 /nfs/dbraw/zinc/07/55/30/600075530.db2.gz SWENUBFMEAXCEL-MRXNPFEDSA-N -1 3 350.484 3.207 20 0 FGADHM CCC[C@@H](C)NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2C(=O)[O-])C1 ZINC000736969938 600090263 /nfs/dbraw/zinc/09/02/63/600090263.db2.gz JOXNIVKPAMHTRD-HIFRSBDPSA-N -1 3 350.434 3.041 20 0 FGADHM CCC[C@@H](C)NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2C(=O)[O-])C1 ZINC000736969939 600090960 /nfs/dbraw/zinc/09/09/60/600090960.db2.gz JOXNIVKPAMHTRD-UKRRQHHQSA-N -1 3 350.434 3.041 20 0 FGADHM CCN1CCC[C@@H](NC(=O)Nc2cccc(CSCCC(=O)[O-])c2)C1 ZINC000737117438 600123997 /nfs/dbraw/zinc/12/39/97/600123997.db2.gz ZZGROEPJXYFTPS-MRXNPFEDSA-N -1 3 365.499 3.000 20 0 FGADHM O=C(C/C=C\c1cccc(F)c1)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826404525 607424352 /nfs/dbraw/zinc/42/43/52/607424352.db2.gz CVSSHDMMOJSFEJ-DJWKRKHSSA-N -1 3 363.396 3.215 20 0 FGADHM O=C(C/C=C\c1cccc(F)c1)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826404525 607424354 /nfs/dbraw/zinc/42/43/54/607424354.db2.gz CVSSHDMMOJSFEJ-DJWKRKHSSA-N -1 3 363.396 3.215 20 0 FGADHM Cc1cc(CNCc2ccc3c(c2)OCCCO3)cc(C)c1OCC(=O)[O-] ZINC000738392997 600156079 /nfs/dbraw/zinc/15/60/79/600156079.db2.gz RAGDRPNNHKEUQA-UHFFFAOYSA-N -1 3 371.433 3.218 20 0 FGADHM CN(C(=O)c1cccc(CN2CCCC2)c1)[C@H](C(=O)[O-])c1ccccc1 ZINC000737339881 600193975 /nfs/dbraw/zinc/19/39/75/600193975.db2.gz BZFCNOCNGSZUBJ-IBGZPJMESA-N -1 3 352.434 3.180 20 0 FGADHM Cc1ccsc1[C@H]1C[C@@H]1C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000826316722 607432701 /nfs/dbraw/zinc/43/27/01/607432701.db2.gz WTYKNAUOAXASSK-RYUDHWBXSA-N -1 3 357.414 3.142 20 0 FGADHM Cc1ccsc1[C@H]1C[C@@H]1C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000826316722 607432703 /nfs/dbraw/zinc/43/27/03/607432703.db2.gz WTYKNAUOAXASSK-RYUDHWBXSA-N -1 3 357.414 3.142 20 0 FGADHM CC(C)c1cccc(O[C@H](C)C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000824737587 607432753 /nfs/dbraw/zinc/43/27/53/607432753.db2.gz ILBPKTMHGAQUSN-CQSZACIVSA-N -1 3 365.437 3.420 20 0 FGADHM CC(C)c1cccc(O[C@H](C)C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000824737587 607432755 /nfs/dbraw/zinc/43/27/55/607432755.db2.gz ILBPKTMHGAQUSN-CQSZACIVSA-N -1 3 365.437 3.420 20 0 FGADHM Cc1nc(Cl)ccc1C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000826326318 607783588 /nfs/dbraw/zinc/78/35/88/607783588.db2.gz KHFROOIFRZSCEV-UHFFFAOYSA-N -1 3 360.830 3.026 20 0 FGADHM Cc1nc(Cl)ccc1C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000826326318 607783589 /nfs/dbraw/zinc/78/35/89/607783589.db2.gz KHFROOIFRZSCEV-UHFFFAOYSA-N -1 3 360.830 3.026 20 0 FGADHM CCCN(CC)c1ccc(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000825307581 607436116 /nfs/dbraw/zinc/43/61/16/607436116.db2.gz FYWIKVRZIINQPM-UHFFFAOYSA-N -1 3 364.453 3.380 20 0 FGADHM CCCN(CC)c1ccc(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825307581 607436117 /nfs/dbraw/zinc/43/61/17/607436117.db2.gz FYWIKVRZIINQPM-UHFFFAOYSA-N -1 3 364.453 3.380 20 0 FGADHM Cc1ccc(Cl)c(O[C@@H](C)C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826288393 607436614 /nfs/dbraw/zinc/43/66/14/607436614.db2.gz FKKMRTFCSHSWHU-LBPRGKRZSA-N -1 3 371.828 3.259 20 0 FGADHM Cc1ccc(Cl)c(O[C@@H](C)C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826288393 607436616 /nfs/dbraw/zinc/43/66/16/607436616.db2.gz FKKMRTFCSHSWHU-LBPRGKRZSA-N -1 3 371.828 3.259 20 0 FGADHM CN(C(=O)CCOc1ccc2ccccc2c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825817589 607433449 /nfs/dbraw/zinc/43/34/49/607433449.db2.gz LTPFIPJPGSMTJQ-UHFFFAOYSA-N -1 3 373.416 3.452 20 0 FGADHM CN(C(=O)CCOc1ccc2ccccc2c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825817589 607433451 /nfs/dbraw/zinc/43/34/51/607433451.db2.gz LTPFIPJPGSMTJQ-UHFFFAOYSA-N -1 3 373.416 3.452 20 0 FGADHM Cc1ccc2[nH]cc(CCC(=O)N(C)c3ccc(-c4nnn[n-]4)cc3)c2c1 ZINC000826293453 607437284 /nfs/dbraw/zinc/43/72/84/607437284.db2.gz PNCRXCAXYOUHIL-UHFFFAOYSA-N -1 3 360.421 3.252 20 0 FGADHM Cc1ccc2[nH]cc(CCC(=O)N(C)c3ccc(-c4nn[n-]n4)cc3)c2c1 ZINC000826293453 607437285 /nfs/dbraw/zinc/43/72/85/607437285.db2.gz PNCRXCAXYOUHIL-UHFFFAOYSA-N -1 3 360.421 3.252 20 0 FGADHM O=C([O-])c1ccc(NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)c(F)c1 ZINC000389335017 600401946 /nfs/dbraw/zinc/40/19/46/600401946.db2.gz QEDSJUIVTFRZGF-MRXNPFEDSA-N -1 3 371.412 3.310 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)c1cc2ccccc2nc1C ZINC000826253863 607444923 /nfs/dbraw/zinc/44/49/23/607444923.db2.gz IFSSUELUAUOKFX-UHFFFAOYSA-N -1 3 359.389 3.389 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)c1cc2ccccc2nc1C ZINC000826253863 607444925 /nfs/dbraw/zinc/44/49/25/607444925.db2.gz IFSSUELUAUOKFX-UHFFFAOYSA-N -1 3 359.389 3.389 20 0 FGADHM Cc1ccc([C@@H](C)NC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC000826282868 607453917 /nfs/dbraw/zinc/45/39/17/607453917.db2.gz DSTWTPRHQGHUDU-CQSZACIVSA-N -1 3 362.437 3.225 20 0 FGADHM Cc1ccc([C@@H](C)NC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000826282868 607453919 /nfs/dbraw/zinc/45/39/19/607453919.db2.gz DSTWTPRHQGHUDU-CQSZACIVSA-N -1 3 362.437 3.225 20 0 FGADHM CCN1CCN(c2ccc(NC(=O)c3ccccc3NC(=O)[O-])cc2)CC1 ZINC000737122515 600565702 /nfs/dbraw/zinc/56/57/02/600565702.db2.gz KDJDOLTYEXXKKG-UHFFFAOYSA-N -1 3 368.437 3.171 20 0 FGADHM O=C1OC(c2cccc(Cl)c2)=NC1=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000823548294 607456048 /nfs/dbraw/zinc/45/60/48/607456048.db2.gz VWFUNFPKHWKMMH-ZSOIEALJSA-N -1 3 369.743 3.004 20 0 FGADHM O=C1OC(c2cccc(Cl)c2)=NC1=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000823548294 607456049 /nfs/dbraw/zinc/45/60/49/607456049.db2.gz VWFUNFPKHWKMMH-ZSOIEALJSA-N -1 3 369.743 3.004 20 0 FGADHM Cc1[nH]c(C(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)c(C)c1C(=O)[O-] ZINC000738158956 600701960 /nfs/dbraw/zinc/70/19/60/600701960.db2.gz JXWCPNBZUXBRML-CQSZACIVSA-N -1 3 369.465 3.066 20 0 FGADHM Cc1oc(NC(=O)CN(C)c2ccc(C)c(Cl)c2)c(-c2nnn[n-]2)c1C ZINC000826289900 607465117 /nfs/dbraw/zinc/46/51/17/607465117.db2.gz QXQKUCMHDBDNHF-UHFFFAOYSA-N -1 3 374.832 3.113 20 0 FGADHM Cc1oc(NC(=O)CN(c2ccccc2C)C(C)C)c(-c2nnn[n-]2)c1C ZINC000826307766 607465265 /nfs/dbraw/zinc/46/52/65/607465265.db2.gz WBJYYNSRXBOPGP-UHFFFAOYSA-N -1 3 368.441 3.238 20 0 FGADHM CCC[C@@](C)(NCc1csc(-c2cccc(C(=O)OC)c2)n1)C(=O)[O-] ZINC000829201809 600831949 /nfs/dbraw/zinc/83/19/49/600831949.db2.gz FSNHKAXKWZYFHH-GOSISDBHSA-N -1 3 362.451 3.330 20 0 FGADHM O=C([O-])[C@@H]1CCC[C@H](C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)C1 ZINC000379638945 600836903 /nfs/dbraw/zinc/83/69/03/600836903.db2.gz VBIDWRAYVUEIKN-OTWHNJEPSA-N -1 3 358.482 3.048 20 0 FGADHM CCOC(=O)c1c(C)c2ccccc2nc1CN[C@@](C)(C(=O)[O-])C1CC1 ZINC000829872902 601034479 /nfs/dbraw/zinc/03/44/79/601034479.db2.gz CIQAKVWCFXESNO-HXUWFJFHSA-N -1 3 356.422 3.063 20 0 FGADHM Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000832961537 601149046 /nfs/dbraw/zinc/14/90/46/601149046.db2.gz DXYACXVHUJKECQ-MRHSLFKSSA-N -1 3 356.466 3.020 20 0 FGADHM C[C@@H](C(=O)[O-])[C@@H](NCC(=O)NC1(c2ccccc2)CCC1)c1ccccc1 ZINC000826044322 601201387 /nfs/dbraw/zinc/20/13/87/601201387.db2.gz FGLLNBUUPJJEKP-OXQOHEQNSA-N -1 3 366.461 3.234 20 0 FGADHM C[C@@H](C(=O)[O-])[C@@H](NCC(=O)N1CCSc2ccccc21)c1ccccc1 ZINC000826045726 601203634 /nfs/dbraw/zinc/20/36/34/601203634.db2.gz XZLBQZFBCDJVEU-AUUYWEPGSA-N -1 3 370.474 3.177 20 0 FGADHM C[C@@H](C(=O)[O-])[C@@H](NCC(=O)Nc1cc(Cl)ccc1F)c1ccccc1 ZINC000826054558 601203934 /nfs/dbraw/zinc/20/39/34/601203934.db2.gz OHDJPNQOPORFTP-PIGZYNQJSA-N -1 3 364.804 3.469 20 0 FGADHM C[C@H](C(=O)[O-])[C@H](NCC(=O)Nc1ccc(F)cc1Cl)c1ccccc1 ZINC000826052342 601204659 /nfs/dbraw/zinc/20/46/59/601204659.db2.gz GCUZWRPJAQWNLA-GTNSWQLSSA-N -1 3 364.804 3.469 20 0 FGADHM CC(C)c1ncc(C(=O)O[C@@H](C)COc2cccc(-c3nnn[n-]3)c2)s1 ZINC000820293775 607495301 /nfs/dbraw/zinc/49/53/01/607495301.db2.gz NJKOCDCCSZPBMY-NSHDSACASA-N -1 3 373.438 3.071 20 0 FGADHM CC(C)c1ncc(C(=O)O[C@@H](C)COc2cccc(-c3nn[n-]n3)c2)s1 ZINC000820293775 607495304 /nfs/dbraw/zinc/49/53/04/607495304.db2.gz NJKOCDCCSZPBMY-NSHDSACASA-N -1 3 373.438 3.071 20 0 FGADHM Cc1ccc2cc(C(=O)N[C@H](C)c3cccc(-c4nnn[n-]4)c3)ccc2n1 ZINC000822279623 607500994 /nfs/dbraw/zinc/50/09/94/607500994.db2.gz CWPWFMGXHYMKOV-CYBMUJFWSA-N -1 3 358.405 3.214 20 0 FGADHM Cc1ccc2cc(C(=O)N[C@H](C)c3cccc(-c4nn[n-]n4)c3)ccc2n1 ZINC000822279623 607500996 /nfs/dbraw/zinc/50/09/96/607500996.db2.gz CWPWFMGXHYMKOV-CYBMUJFWSA-N -1 3 358.405 3.214 20 0 FGADHM COc1cc(CN(C)CCOc2ccc(C(=O)[O-])cc2Cl)ccc1O ZINC000831990090 601414992 /nfs/dbraw/zinc/41/49/92/601414992.db2.gz ZJYRISYTYYCYFX-UHFFFAOYSA-N -1 3 365.813 3.263 20 0 FGADHM CCc1oc(C(=O)[O-])cc1CN1CCC(C(=O)N2CCC(C)CC2)CC1 ZINC000830362834 601419397 /nfs/dbraw/zinc/41/93/97/601419397.db2.gz JSMJEANDNAFGSG-UHFFFAOYSA-N -1 3 362.470 3.011 20 0 FGADHM Cc1ccc(CN[C@@H](C(=O)[O-])c2ccccc2)c(OC[C@@H]2CCOC2)c1 ZINC000832933723 601497586 /nfs/dbraw/zinc/49/75/86/601497586.db2.gz ISRRVTPREITXLW-OXQOHEQNSA-N -1 3 355.434 3.326 20 0 FGADHM C[C@@H]1CN(CC(=O)N[C@@H](CC(C)(C)C)c2ccc(F)cc2)C[C@@H]1C(=O)[O-] ZINC000828431091 601514282 /nfs/dbraw/zinc/51/42/82/601514282.db2.gz FXSDOMSVBXVAIZ-COXVUDFISA-N -1 3 364.461 3.072 20 0 FGADHM CCCCCNC(=O)C1CCN(Cc2ccc(C(=O)[O-])c(F)c2)CC1 ZINC000829363221 601618564 /nfs/dbraw/zinc/61/85/64/601618564.db2.gz APLFVHBOZOBSSB-UHFFFAOYSA-N -1 3 350.434 3.042 20 0 FGADHM Cc1ccc(NC(=O)[C@@H]2CCCN(Cc3ccc(C(=O)[O-])c(F)c3)C2)nc1 ZINC000832942006 601642329 /nfs/dbraw/zinc/64/23/29/601642329.db2.gz QMVFTOVCEVICLV-OAHLLOKOSA-N -1 3 371.412 3.078 20 0 FGADHM C[C@@H](C(=O)[O-])[C@H](NCC(=O)N(Cc1ccccc1)C1CC1)c1ccccc1 ZINC000826045695 601652848 /nfs/dbraw/zinc/65/28/48/601652848.db2.gz XHZNDLRCHZYVGZ-IERDGZPVSA-N -1 3 366.461 3.229 20 0 FGADHM C[C@H](NC(=O)CN[C@H](c1ccccc1)[C@H](C)C(=O)[O-])c1ccc(F)cc1 ZINC000827637715 601657008 /nfs/dbraw/zinc/65/70/08/601657008.db2.gz VYJYMDKCAJKLPX-NJSLBKSFSA-N -1 3 358.413 3.055 20 0 FGADHM COC(=O)C1(CNc2ccc(C(F)(F)F)cc2-c2nnn[n-]2)CCCC1 ZINC000826124549 607521569 /nfs/dbraw/zinc/52/15/69/607521569.db2.gz UDGNQQLSUFYUFU-UHFFFAOYSA-N -1 3 369.347 3.031 20 0 FGADHM COC(=O)C1(CNc2ccc(C(F)(F)F)cc2-c2nn[n-]n2)CCCC1 ZINC000826124549 607521570 /nfs/dbraw/zinc/52/15/70/607521570.db2.gz UDGNQQLSUFYUFU-UHFFFAOYSA-N -1 3 369.347 3.031 20 0 FGADHM CN(C)CCN(Cc1ccco1)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000830608805 601794248 /nfs/dbraw/zinc/79/42/48/601794248.db2.gz JTHVIODESSHYSS-UHFFFAOYSA-N -1 3 365.817 3.227 20 0 FGADHM O=C([O-])c1sccc1CN1CCC(n2cc(Br)cn2)CC1 ZINC000833347401 601826173 /nfs/dbraw/zinc/82/61/73/601826173.db2.gz BXYGSFJCICELOA-UHFFFAOYSA-N -1 3 370.272 3.242 20 0 FGADHM O=C([O-])c1cccc(CNC(=O)NC[C@H](c2ccccc2)N2CCCC2)c1 ZINC000666510056 601848266 /nfs/dbraw/zinc/84/82/66/601848266.db2.gz LGXDPRNIMBWRSY-LJQANCHMSA-N -1 3 367.449 3.021 20 0 FGADHM CN(C[C@H](O)c1ccccc1F)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830714780 601904579 /nfs/dbraw/zinc/90/45/79/601904579.db2.gz YMEQEOKXGVTWFA-GOEBONIOSA-N -1 3 357.303 3.034 20 0 FGADHM C[C@H](CN(CC(=O)N[C@H](c1ccccc1)C1CCCC1)C1CC1)C(=O)[O-] ZINC000827449459 601917546 /nfs/dbraw/zinc/91/75/46/601917546.db2.gz KRBMNLCISKBLIK-FOIQADDNSA-N -1 3 358.482 3.219 20 0 FGADHM O=C([O-])c1ccc(CN2CCC(NC(=O)CC3CCCC3)CC2)s1 ZINC000833093677 601953424 /nfs/dbraw/zinc/95/34/24/601953424.db2.gz HSHAWBDFVPXYIY-UHFFFAOYSA-N -1 3 350.484 3.107 20 0 FGADHM C[C@@H](CNC(=O)OC(C)(C)C)CNc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000824419890 607541701 /nfs/dbraw/zinc/54/17/01/607541701.db2.gz DIWSHTMHFGTMNF-SNVBAGLBSA-N -1 3 366.853 3.093 20 0 FGADHM C[C@@H](CNC(=O)OC(C)(C)C)CNc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000824419890 607541703 /nfs/dbraw/zinc/54/17/03/607541703.db2.gz DIWSHTMHFGTMNF-SNVBAGLBSA-N -1 3 366.853 3.093 20 0 FGADHM C[C@H](CNC(=O)OC(C)(C)C)CNc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000824419889 607541788 /nfs/dbraw/zinc/54/17/88/607541788.db2.gz DIWSHTMHFGTMNF-JTQLQIEISA-N -1 3 366.853 3.093 20 0 FGADHM C[C@H](CNC(=O)OC(C)(C)C)CNc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000824419889 607541790 /nfs/dbraw/zinc/54/17/90/607541790.db2.gz DIWSHTMHFGTMNF-JTQLQIEISA-N -1 3 366.853 3.093 20 0 FGADHM COc1ccc(CNc2c(F)cccc2N2CCCC2)cc1-c1nnn[n-]1 ZINC000826203432 607550318 /nfs/dbraw/zinc/55/03/18/607550318.db2.gz NPJZPMADRDRGLX-UHFFFAOYSA-N -1 3 368.416 3.227 20 0 FGADHM COc1ccc(CNc2c(F)cccc2N2CCCC2)cc1-c1nn[n-]n1 ZINC000826203432 607550320 /nfs/dbraw/zinc/55/03/20/607550320.db2.gz NPJZPMADRDRGLX-UHFFFAOYSA-N -1 3 368.416 3.227 20 0 FGADHM O=C([O-])Nc1ccccc1NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000740713890 602173638 /nfs/dbraw/zinc/17/36/38/602173638.db2.gz DIMSRTXLFNGHLQ-OAHLLOKOSA-N -1 3 354.410 3.022 20 0 FGADHM CC[C@@](C)(CC(=O)[O-])NCc1csc(-c2ccc(O)c(OC)c2)n1 ZINC000828665736 602217885 /nfs/dbraw/zinc/21/78/85/602217885.db2.gz XUVZISMONMSPNQ-KRWDZBQOSA-N -1 3 350.440 3.257 20 0 FGADHM COc1ccc(CNc2ccc(F)cc2OC(F)F)cc1-c1nnn[n-]1 ZINC000826204037 607551403 /nfs/dbraw/zinc/55/14/03/607551403.db2.gz UHBGZIBEUWCGIW-UHFFFAOYSA-N -1 3 365.315 3.228 20 0 FGADHM COc1ccc(CNc2ccc(F)cc2OC(F)F)cc1-c1nn[n-]n1 ZINC000826204037 607551405 /nfs/dbraw/zinc/55/14/05/607551405.db2.gz UHBGZIBEUWCGIW-UHFFFAOYSA-N -1 3 365.315 3.228 20 0 FGADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)c1ccc2c(n1)CCCC2 ZINC000826453433 607564852 /nfs/dbraw/zinc/56/48/52/607564852.db2.gz KPQKRHOZQCMGOE-UHFFFAOYSA-N -1 3 354.801 3.046 20 0 FGADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)c1ccc2c(n1)CCCC2 ZINC000826453433 607564854 /nfs/dbraw/zinc/56/48/54/607564854.db2.gz KPQKRHOZQCMGOE-UHFFFAOYSA-N -1 3 354.801 3.046 20 0 FGADHM O=C([O-])N1CCC[C@@H](CN2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)C1 ZINC000740512063 602703990 /nfs/dbraw/zinc/70/39/90/602703990.db2.gz NBHVEGNALQGVAZ-GARJFASQSA-N -1 3 362.314 3.439 20 0 FGADHM COc1ccc(COC(=O)c2sccc2C2CC2)cc1-c1nnn[n-]1 ZINC000826206576 607604485 /nfs/dbraw/zinc/60/44/85/607604485.db2.gz AXYDFVVFPKKTRL-UHFFFAOYSA-N -1 3 356.407 3.171 20 0 FGADHM COc1ccc(COC(=O)c2sccc2C2CC2)cc1-c1nn[n-]n1 ZINC000826206576 607604486 /nfs/dbraw/zinc/60/44/86/607604486.db2.gz AXYDFVVFPKKTRL-UHFFFAOYSA-N -1 3 356.407 3.171 20 0 FGADHM COc1cc(CNC[C@H](NC(=O)[O-])c2ccccc2)cc(Cl)c1OC ZINC000829124173 603175256 /nfs/dbraw/zinc/17/52/56/603175256.db2.gz AONCADQFRFMFBW-HNNXBMFYSA-N -1 3 364.829 3.456 20 0 FGADHM C[C@H](C(=O)Nc1cccc(CN(C)C)c1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823712909 603316658 /nfs/dbraw/zinc/31/66/58/603316658.db2.gz LOCJZIOQPKKCOD-KBXCAEBGSA-N -1 3 355.438 3.332 20 0 FGADHM COC(=O)c1cc2cc(CN3CCC(CN(C)C(=O)[O-])CC3)ccc2o1 ZINC000739780133 603338790 /nfs/dbraw/zinc/33/87/90/603338790.db2.gz NCXRRGHDBJYQCC-UHFFFAOYSA-N -1 3 360.410 3.041 20 0 FGADHM O=C([O-])NC[C@H]1CCCCN1CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000740621290 603409712 /nfs/dbraw/zinc/40/97/12/603409712.db2.gz BZYIEHJCJITEIJ-CQSZACIVSA-N -1 3 364.833 3.055 20 0 FGADHM CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000827214481 603525535 /nfs/dbraw/zinc/52/55/35/603525535.db2.gz GLGRBOCAKSPRJL-OLZOCXBDSA-N -1 3 351.834 3.129 20 0 FGADHM Cc1ccc(NC(=O)C[C@H](Cc2ccccc2)NC(=O)[O-])c(CN(C)C)c1 ZINC000830363588 603617190 /nfs/dbraw/zinc/61/71/90/603617190.db2.gz IAHCVPGPLBWRME-SFHVURJKSA-N -1 3 369.465 3.264 20 0 FGADHM C[C@H](C(=O)N1CCC[C@H]1c1cccs1)N(C)CC(C)(C)CNC(=O)[O-] ZINC000823670385 603626996 /nfs/dbraw/zinc/62/69/96/603626996.db2.gz VNCULGIHKLWQAO-KGLIPLIRSA-N -1 3 367.515 3.026 20 0 FGADHM O=C(NCCC1=CCCCC1)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826436334 607646777 /nfs/dbraw/zinc/64/67/77/607646777.db2.gz QAVUKODHGQGPIQ-UHFFFAOYSA-N -1 3 352.442 3.046 20 0 FGADHM O=C(NCCC1=CCCCC1)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826436334 607646779 /nfs/dbraw/zinc/64/67/79/607646779.db2.gz QAVUKODHGQGPIQ-UHFFFAOYSA-N -1 3 352.442 3.046 20 0 FGADHM C[C@H](CNC(=O)[O-])N(C)Cc1cc(Br)cc2cccnc21 ZINC000824966261 603752037 /nfs/dbraw/zinc/75/20/37/603752037.db2.gz CHUIGVFNILMBOJ-SNVBAGLBSA-N -1 3 352.232 3.085 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@H](c1ccc(F)cc1)C(C)C ZINC000826246525 607653234 /nfs/dbraw/zinc/65/32/34/607653234.db2.gz FXOMZPOUVYGFOE-KRWDZBQOSA-N -1 3 353.401 3.441 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@H](c1ccc(F)cc1)C(C)C ZINC000826246525 607653236 /nfs/dbraw/zinc/65/32/36/607653236.db2.gz FXOMZPOUVYGFOE-KRWDZBQOSA-N -1 3 353.401 3.441 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CC=C(c2ccc(F)cc2)CC1 ZINC000826244506 607653337 /nfs/dbraw/zinc/65/33/37/607653337.db2.gz VDURKRKGTHUCOR-UHFFFAOYSA-N -1 3 363.396 3.244 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CC=C(c2ccc(F)cc2)CC1 ZINC000826244506 607653338 /nfs/dbraw/zinc/65/33/38/607653338.db2.gz VDURKRKGTHUCOR-UHFFFAOYSA-N -1 3 363.396 3.244 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NCc1ccccc1COC(C)C ZINC000826248996 607660775 /nfs/dbraw/zinc/66/07/75/607660775.db2.gz GZTBEICOJJIFNO-UHFFFAOYSA-N -1 3 365.437 3.030 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NCc1ccccc1COC(C)C ZINC000826248996 607660777 /nfs/dbraw/zinc/66/07/77/607660777.db2.gz GZTBEICOJJIFNO-UHFFFAOYSA-N -1 3 365.437 3.030 20 0 FGADHM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826316359 607660906 /nfs/dbraw/zinc/66/09/06/607660906.db2.gz LGGWBWDGBDOQBV-DFBGVHRSSA-N -1 3 353.451 3.218 20 0 FGADHM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826316359 607660907 /nfs/dbraw/zinc/66/09/07/607660907.db2.gz LGGWBWDGBDOQBV-DFBGVHRSSA-N -1 3 353.451 3.218 20 0 FGADHM CC[C@@H]1c2ccsc2CCN1C(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000825220018 607662420 /nfs/dbraw/zinc/66/24/20/607662420.db2.gz ONHDPOMPWOXQFW-OAHLLOKOSA-N -1 3 353.451 3.386 20 0 FGADHM CC[C@@H]1c2ccsc2CCN1C(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000825220018 607662422 /nfs/dbraw/zinc/66/24/22/607662422.db2.gz ONHDPOMPWOXQFW-OAHLLOKOSA-N -1 3 353.451 3.386 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCCCC[C@@H]1c1ccncc1 ZINC000826244769 607663212 /nfs/dbraw/zinc/66/32/12/607663212.db2.gz CTEOLTOSXHAORS-GOSISDBHSA-N -1 3 362.437 3.328 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCCCC[C@@H]1c1ccncc1 ZINC000826244769 607663214 /nfs/dbraw/zinc/66/32/14/607663214.db2.gz CTEOLTOSXHAORS-GOSISDBHSA-N -1 3 362.437 3.328 20 0 FGADHM CN(CC(=O)N[C@H](c1cccs1)C(C)(C)C)C1CCN(C(=O)[O-])CC1 ZINC000828101926 603979576 /nfs/dbraw/zinc/97/95/76/603979576.db2.gz DAOSWTGIXHJNJU-MRXNPFEDSA-N -1 3 367.515 3.026 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@H](C)c1ccccc1OC(C)C ZINC000826247057 607664817 /nfs/dbraw/zinc/66/48/17/607664817.db2.gz SGAJSROUAKLTBG-CQSZACIVSA-N -1 3 365.437 3.453 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@H](C)c1ccccc1OC(C)C ZINC000826247057 607664819 /nfs/dbraw/zinc/66/48/19/607664819.db2.gz SGAJSROUAKLTBG-CQSZACIVSA-N -1 3 365.437 3.453 20 0 FGADHM C[C@H](NC(=O)[O-])[C@H]1CCCN(Cc2cc(=O)oc3cc4c(cc23)CCC4)C1 ZINC000825265257 604242439 /nfs/dbraw/zinc/24/24/39/604242439.db2.gz RHBCMOHHMGRMDB-BBRMVZONSA-N -1 3 370.449 3.150 20 0 FGADHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1N1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000826368151 607681952 /nfs/dbraw/zinc/68/19/52/607681952.db2.gz DTFMSNGJKSOPEC-CHWSQXEVSA-N -1 3 367.375 3.138 20 0 FGADHM COc1ccccc1[C@@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000826219105 607682899 /nfs/dbraw/zinc/68/28/99/607682899.db2.gz TUBFRVHMYPKYQD-KRWDZBQOSA-N -1 3 363.421 3.161 20 0 FGADHM COc1ccccc1[C@@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000826219105 607682900 /nfs/dbraw/zinc/68/29/00/607682900.db2.gz TUBFRVHMYPKYQD-KRWDZBQOSA-N -1 3 363.421 3.161 20 0 FGADHM COc1ccc(C)c2c1N(C(=O)c1ccc(-c3nnn[n-]3)cc1C)CCC2 ZINC000826189705 607683292 /nfs/dbraw/zinc/68/32/92/607683292.db2.gz BXAUYQGCKYUFSP-UHFFFAOYSA-N -1 3 363.421 3.085 20 0 FGADHM COc1ccc(C)c2c1N(C(=O)c1ccc(-c3nn[n-]n3)cc1C)CCC2 ZINC000826189705 607683293 /nfs/dbraw/zinc/68/32/93/607683293.db2.gz BXAUYQGCKYUFSP-UHFFFAOYSA-N -1 3 363.421 3.085 20 0 FGADHM CN(C(=O)[O-])c1ccc(NC(=O)N2CCN(C3CCCCC3)CC2)cc1 ZINC000830514200 604327635 /nfs/dbraw/zinc/32/76/35/604327635.db2.gz OULWGSLWFABCHO-UHFFFAOYSA-N -1 3 360.458 3.283 20 0 FGADHM Cc1nc(C)c([C@H](C)N(C)C(=O)c2ccc(-c3nnn[n-]3)cc2C)s1 ZINC000826324249 607686910 /nfs/dbraw/zinc/68/69/10/607686910.db2.gz JTEYFKOHYRWMSS-NSHDSACASA-N -1 3 356.455 3.082 20 0 FGADHM Cc1nc(C)c([C@H](C)N(C)C(=O)c2ccc(-c3nn[n-]n3)cc2C)s1 ZINC000826324249 607686911 /nfs/dbraw/zinc/68/69/11/607686911.db2.gz JTEYFKOHYRWMSS-NSHDSACASA-N -1 3 356.455 3.082 20 0 FGADHM C[C@H](NC(=O)[O-])c1ccc(CNC(=O)c2cccc(CN(C)C)c2)cc1 ZINC000825396571 604452527 /nfs/dbraw/zinc/45/25/27/604452527.db2.gz BCXCRTFGXRUAND-AWEZNQCLSA-N -1 3 355.438 3.007 20 0 FGADHM C[N@H+](Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1)C1(C(=O)[O-])CCCC1 ZINC000830879280 604455441 /nfs/dbraw/zinc/45/54/41/604455441.db2.gz CNEKOAIAQKHWBK-UHFFFAOYSA-N -1 3 373.434 3.486 20 0 FGADHM C[N@@H+](Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1)C1(C(=O)[O-])CCCC1 ZINC000830879280 604455443 /nfs/dbraw/zinc/45/54/43/604455443.db2.gz CNEKOAIAQKHWBK-UHFFFAOYSA-N -1 3 373.434 3.486 20 0 FGADHM CC[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)cc1C)c1ccc(F)cc1F ZINC000825133070 607693795 /nfs/dbraw/zinc/69/37/95/607693795.db2.gz IJKHSXPJWAFGAG-MRXNPFEDSA-N -1 3 357.364 3.334 20 0 FGADHM CC[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)cc1C)c1ccc(F)cc1F ZINC000825133070 607693796 /nfs/dbraw/zinc/69/37/96/607693796.db2.gz IJKHSXPJWAFGAG-MRXNPFEDSA-N -1 3 357.364 3.334 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@H](C)c1ccc(F)cc1Cl ZINC000826246664 607694084 /nfs/dbraw/zinc/69/40/84/607694084.db2.gz ISUULQAOEODTIN-SNVBAGLBSA-N -1 3 359.792 3.459 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@H](C)c1ccc(F)cc1Cl ZINC000826246664 607694085 /nfs/dbraw/zinc/69/40/85/607694085.db2.gz ISUULQAOEODTIN-SNVBAGLBSA-N -1 3 359.792 3.459 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCc2cc(F)ccc2[C@@H]1C ZINC000826245549 607694102 /nfs/dbraw/zinc/69/41/02/607694102.db2.gz BDRVIFUBHFFDSH-LBPRGKRZSA-N -1 3 351.385 3.074 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCc2cc(F)ccc2[C@@H]1C ZINC000826245549 607694103 /nfs/dbraw/zinc/69/41/03/607694103.db2.gz BDRVIFUBHFFDSH-LBPRGKRZSA-N -1 3 351.385 3.074 20 0 FGADHM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(c1ccccc1)c1ccccc1 ZINC000824514983 607696276 /nfs/dbraw/zinc/69/62/76/607696276.db2.gz RCCRGOGPCIPVTL-AWEZNQCLSA-N -1 3 372.432 3.145 20 0 FGADHM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(c1ccccc1)c1ccccc1 ZINC000824514983 607696278 /nfs/dbraw/zinc/69/62/78/607696278.db2.gz RCCRGOGPCIPVTL-AWEZNQCLSA-N -1 3 372.432 3.145 20 0 FGADHM Cc1ccccc1-c1cc(NC(=O)c2ccc(-c3nnn[n-]3)cc2C)n(C)n1 ZINC000826249437 607698824 /nfs/dbraw/zinc/69/88/24/607698824.db2.gz COFMRUKBEILYQO-UHFFFAOYSA-N -1 3 373.420 3.136 20 0 FGADHM Cc1ccccc1-c1cc(NC(=O)c2ccc(-c3nn[n-]n3)cc2C)n(C)n1 ZINC000826249437 607698825 /nfs/dbraw/zinc/69/88/25/607698825.db2.gz COFMRUKBEILYQO-UHFFFAOYSA-N -1 3 373.420 3.136 20 0 FGADHM C[C@@H](C(=O)Nc1cccc(SCCC(=O)[O-])c1)N1CCCCCC1 ZINC000833407299 604573455 /nfs/dbraw/zinc/57/34/55/604573455.db2.gz BEUPHEUXLHDZHD-AWEZNQCLSA-N -1 3 350.484 3.456 20 0 FGADHM O=C(Nc1ccc(N2CCCCC2)c(Cl)c1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826455070 607703701 /nfs/dbraw/zinc/70/37/01/607703701.db2.gz XRODZNPXGTXHGJ-UHFFFAOYSA-N -1 3 371.832 3.091 20 0 FGADHM O=C(Nc1ccc(N2CCCCC2)c(Cl)c1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826455070 607703704 /nfs/dbraw/zinc/70/37/04/607703704.db2.gz XRODZNPXGTXHGJ-UHFFFAOYSA-N -1 3 371.832 3.091 20 0 FGADHM O=C(c1ccc(-c2nnn[n-]2)[nH]1)N(CCc1ccccc1)c1ccccc1 ZINC000826470893 607709177 /nfs/dbraw/zinc/70/91/77/607709177.db2.gz HKEPFYRLGBMLMG-UHFFFAOYSA-N -1 3 358.405 3.084 20 0 FGADHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N(CCc1ccccc1)c1ccccc1 ZINC000826470893 607709179 /nfs/dbraw/zinc/70/91/79/607709179.db2.gz HKEPFYRLGBMLMG-UHFFFAOYSA-N -1 3 358.405 3.084 20 0 FGADHM O=C([O-])[C@H](O)C1CCN(Cc2c(OC(F)F)ccc3ccccc32)CC1 ZINC000833770703 604760179 /nfs/dbraw/zinc/76/01/79/604760179.db2.gz LVBJNVFNRRYUQO-QGZVFWFLSA-N -1 3 365.376 3.099 20 0 FGADHM O=C(Nc1ccccc1SC(F)(F)F)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826457947 607719871 /nfs/dbraw/zinc/71/98/71/607719871.db2.gz WKCCOVHDKOHZAO-UHFFFAOYSA-N -1 3 354.317 3.059 20 0 FGADHM O=C(Nc1ccccc1SC(F)(F)F)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826457947 607719873 /nfs/dbraw/zinc/71/98/73/607719873.db2.gz WKCCOVHDKOHZAO-UHFFFAOYSA-N -1 3 354.317 3.059 20 0 FGADHM CN(Cc1ccccc1-c1ccccc1)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000825980906 607720431 /nfs/dbraw/zinc/72/04/31/607720431.db2.gz LGFOHOULAOVXQB-UHFFFAOYSA-N -1 3 358.405 3.134 20 0 FGADHM CN(Cc1ccccc1-c1ccccc1)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000825980906 607720433 /nfs/dbraw/zinc/72/04/33/607720433.db2.gz LGFOHOULAOVXQB-UHFFFAOYSA-N -1 3 358.405 3.134 20 0 FGADHM Cc1ccc(C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)cc1NC(=O)[O-] ZINC000830181513 604899492 /nfs/dbraw/zinc/89/94/92/604899492.db2.gz CMBDNCLWPXCWCC-GOSISDBHSA-N -1 3 367.449 3.431 20 0 FGADHM CN(C(=O)CN[C@]1(C)CCCc2ccccc21)c1ccccc1C(=O)[O-] ZINC000833685755 604948783 /nfs/dbraw/zinc/94/87/83/604948783.db2.gz LLGZWIYQDNRBKH-OAQYLSRUSA-N -1 3 352.434 3.189 20 0 FGADHM O=C(c1ccc(-c2nnn[n-]2)[nH]1)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000826471364 607726084 /nfs/dbraw/zinc/72/60/84/607726084.db2.gz WOEJMICZXJNNIE-UHFFFAOYSA-N -1 3 368.416 3.309 20 0 FGADHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000826471364 607726086 /nfs/dbraw/zinc/72/60/86/607726086.db2.gz WOEJMICZXJNNIE-UHFFFAOYSA-N -1 3 368.416 3.309 20 0 FGADHM O=C([O-])C[C@H]1CCCN1Cn1nc2c3c1cccc3C(=O)c1ccccc1-2 ZINC000833212062 604977164 /nfs/dbraw/zinc/97/71/64/604977164.db2.gz SDHHLVBSNKZQKZ-CYBMUJFWSA-N -1 3 361.401 3.144 20 0 FGADHM O=C([O-])[C@H](NCc1cccc(COCc2ccco2)c1)c1cccnc1 ZINC000833169768 604991879 /nfs/dbraw/zinc/99/18/79/604991879.db2.gz KEGOJZFALFLRDI-LJQANCHMSA-N -1 3 352.390 3.307 20 0 FGADHM O=C(Nc1nc(-c2ccccc2Cl)cs1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826460338 607731957 /nfs/dbraw/zinc/73/19/57/607731957.db2.gz YLEGEIAWCBCDJK-UHFFFAOYSA-N -1 3 371.813 3.224 20 0 FGADHM O=C(Nc1nc(-c2ccccc2Cl)cs1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826460338 607731959 /nfs/dbraw/zinc/73/19/59/607731959.db2.gz YLEGEIAWCBCDJK-UHFFFAOYSA-N -1 3 371.813 3.224 20 0 FGADHM CN(C(=O)OC(C)(C)C)[C@H]1CCCN(Cc2ccccc2CC(=O)[O-])C1 ZINC000833686160 605068427 /nfs/dbraw/zinc/06/84/27/605068427.db2.gz ZRIFUJVHTDFZBI-KRWDZBQOSA-N -1 3 362.470 3.145 20 0 FGADHM C[C@@]1(NCc2nc(-c3cc(F)c(F)c(F)c3)no2)CCCC[C@H]1C(=O)[O-] ZINC000833570466 605072058 /nfs/dbraw/zinc/07/20/58/605072058.db2.gz TXVVAIAPQAWUAK-DYZYQPBXSA-N -1 3 369.343 3.277 20 0 FGADHM C[C@H](Oc1ccc(CNC(C)(C)C(=O)Nc2ccccc2)cc1)C(=O)[O-] ZINC000833540569 605093971 /nfs/dbraw/zinc/09/39/71/605093971.db2.gz NANIPZRBIZDICI-AWEZNQCLSA-N -1 3 356.422 3.045 20 0 FGADHM CC[C@@H](NCc1cc(C(=O)[O-])c(C)o1)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000833643483 605121031 /nfs/dbraw/zinc/12/10/31/605121031.db2.gz BJEUEMSSYFYPFQ-MOPGFXCFSA-N -1 3 368.437 3.344 20 0 FGADHM C[C@@H]1CCC[C@H](NC(=O)CN[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])[C@H]1C ZINC000833611623 605181254 /nfs/dbraw/zinc/18/12/54/605181254.db2.gz YQQCRFDBAHPAKK-YEWFCNIMSA-N -1 3 360.498 3.369 20 0 FGADHM CC(C)(C(=O)[O-])[C@H](NCC(=O)Nc1cccnc1Cl)c1ccccc1 ZINC000833412794 605183076 /nfs/dbraw/zinc/18/30/76/605183076.db2.gz LMEKCELIZMEGEZ-OAHLLOKOSA-N -1 3 361.829 3.115 20 0 FGADHM O=C(Nc1nc(-c2cccc(Cl)c2)cs1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826460010 607753015 /nfs/dbraw/zinc/75/30/15/607753015.db2.gz JNVVSAAYASUCRQ-UHFFFAOYSA-N -1 3 371.813 3.224 20 0 FGADHM O=C(Nc1nc(-c2cccc(Cl)c2)cs1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826460010 607753016 /nfs/dbraw/zinc/75/30/16/607753016.db2.gz JNVVSAAYASUCRQ-UHFFFAOYSA-N -1 3 371.813 3.224 20 0 FGADHM Cc1nc(Cl)ccc1C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000826326254 607755507 /nfs/dbraw/zinc/75/55/07/607755507.db2.gz HSWKNTKHXDCPAZ-UHFFFAOYSA-N -1 3 372.816 3.263 20 0 FGADHM Cc1nc(Cl)ccc1C(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000826326254 607755508 /nfs/dbraw/zinc/75/55/08/607755508.db2.gz HSWKNTKHXDCPAZ-UHFFFAOYSA-N -1 3 372.816 3.263 20 0 FGADHM Cc1cc(C(=O)NCCCN2CCc3ccccc3C2)ccc1NC(=O)[O-] ZINC000829950575 605608007 /nfs/dbraw/zinc/60/80/07/605608007.db2.gz NMQWRSYXFJYSJO-UHFFFAOYSA-N -1 3 367.449 3.263 20 0 FGADHM CCc1ccc(NC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1F ZINC000825712330 607768765 /nfs/dbraw/zinc/76/87/65/607768765.db2.gz OHEUIWOCJOUFAI-UHFFFAOYSA-N -1 3 358.352 3.029 20 0 FGADHM CCc1ccc(NC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1F ZINC000825712330 607768766 /nfs/dbraw/zinc/76/87/66/607768766.db2.gz OHEUIWOCJOUFAI-UHFFFAOYSA-N -1 3 358.352 3.029 20 0 FGADHM O=C(Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)c1ccsc1 ZINC000826460362 607770729 /nfs/dbraw/zinc/77/07/29/607770729.db2.gz ZJBOSXUHLXRKCF-UHFFFAOYSA-N -1 3 354.420 3.304 20 0 FGADHM O=C(Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)c1ccsc1 ZINC000826460362 607770730 /nfs/dbraw/zinc/77/07/30/607770730.db2.gz ZJBOSXUHLXRKCF-UHFFFAOYSA-N -1 3 354.420 3.304 20 0 FGADHM O=C([O-])Nc1ccc(CN2CC[C@](O)(Cc3cccc(Cl)c3)C2)cn1 ZINC000834259955 605690038 /nfs/dbraw/zinc/69/00/38/605690038.db2.gz KDBHNHFPJRBCFR-SFHVURJKSA-N -1 3 361.829 3.004 20 0 FGADHM O=C(Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)[C@H]1CC=CCC1 ZINC000826459432 607770775 /nfs/dbraw/zinc/77/07/75/607770775.db2.gz JKBRAQSYMQBMHU-NSHDSACASA-N -1 3 352.423 3.285 20 0 FGADHM O=C(Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)[C@H]1CC=CCC1 ZINC000826459432 607770776 /nfs/dbraw/zinc/77/07/76/607770776.db2.gz JKBRAQSYMQBMHU-NSHDSACASA-N -1 3 352.423 3.285 20 0 FGADHM COc1cc(NC(C)=O)ccc1[C@H](C)NC[C@@H](NC(=O)[O-])c1ccccc1 ZINC000833888028 605697520 /nfs/dbraw/zinc/69/75/20/605697520.db2.gz QSMPWWDOETVCGX-SCLBCKFNSA-N -1 3 371.437 3.313 20 0 FGADHM Cc1ccc(CN(C)C)cc1NC(=O)[C@@H]1c2ccccc2CCN1C(=O)[O-] ZINC000830308464 605767377 /nfs/dbraw/zinc/76/73/77/605767377.db2.gz JTCQISIWNQWCSO-IBGZPJMESA-N -1 3 367.449 3.273 20 0 FGADHM O=C([O-])N[C@@H]1C[C@@H](NCc2ccc3c(c2)OCCCO3)c2ccccc21 ZINC000834159771 605798274 /nfs/dbraw/zinc/79/82/74/605798274.db2.gz XDCLQEDLZPKGHP-IAGOWNOFSA-N -1 3 354.406 3.391 20 0 FGADHM CN(Cc1cc(C(=O)[O-])ccc1F)C1CCN(C(=O)c2ccccc2)CC1 ZINC000833694986 605841710 /nfs/dbraw/zinc/84/17/10/605841710.db2.gz WGSBBTCNEXVAFN-UHFFFAOYSA-N -1 3 370.424 3.261 20 0 FGADHM O=Cc1ccc(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)[nH]1 ZINC000823556992 606018322 /nfs/dbraw/zinc/01/83/22/606018322.db2.gz DGIIFKHRFGFLMN-UHFFFAOYSA-N -1 3 374.360 3.052 20 0 FGADHM O=Cc1ccc(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)[nH]1 ZINC000823556992 606018328 /nfs/dbraw/zinc/01/83/28/606018328.db2.gz DGIIFKHRFGFLMN-UHFFFAOYSA-N -1 3 374.360 3.052 20 0 FGADHM O=C(CCn1cccc1)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822986209 606019418 /nfs/dbraw/zinc/01/94/18/606019418.db2.gz AHVOAZDIHFBVKQ-UHFFFAOYSA-N -1 3 374.404 3.489 20 0 FGADHM O=C(CCn1cccc1)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822986209 606019421 /nfs/dbraw/zinc/01/94/21/606019421.db2.gz AHVOAZDIHFBVKQ-UHFFFAOYSA-N -1 3 374.404 3.489 20 0 FGADHM CC(C)Nc1cc(F)ccc1NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000820136686 606020069 /nfs/dbraw/zinc/02/00/69/606020069.db2.gz AMAVLODXBNHEOP-JXMROGBWSA-N -1 3 366.400 3.478 20 0 FGADHM CC(C)Nc1cc(F)ccc1NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000820136686 606020075 /nfs/dbraw/zinc/02/00/75/606020075.db2.gz AMAVLODXBNHEOP-JXMROGBWSA-N -1 3 366.400 3.478 20 0 FGADHM C[C@H](C(=O)N(Cc1ccco1)c1ccccc1-c1nnn[n-]1)c1cccnc1 ZINC000819856344 606052182 /nfs/dbraw/zinc/05/21/82/606052182.db2.gz IXIWNECOWHNSCH-AWEZNQCLSA-N -1 3 374.404 3.192 20 0 FGADHM C[C@H](C(=O)N(Cc1ccco1)c1ccccc1-c1nn[n-]n1)c1cccnc1 ZINC000819856344 606052188 /nfs/dbraw/zinc/05/21/88/606052188.db2.gz IXIWNECOWHNSCH-AWEZNQCLSA-N -1 3 374.404 3.192 20 0 FGADHM COC1CCC(CNc2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)CC1 ZINC000821680037 606103168 /nfs/dbraw/zinc/10/31/68/606103168.db2.gz XHFCOZVWCMOMSQ-UHFFFAOYSA-N -1 3 372.860 3.107 20 0 FGADHM COC1CCC(CNc2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)CC1 ZINC000821680037 606103170 /nfs/dbraw/zinc/10/31/70/606103170.db2.gz XHFCOZVWCMOMSQ-UHFFFAOYSA-N -1 3 372.860 3.107 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(N2CCCCC2)cc1 ZINC000823338016 606103735 /nfs/dbraw/zinc/10/37/35/606103735.db2.gz WFLUKHUZIJSPKL-UHFFFAOYSA-N -1 3 366.400 3.248 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(N2CCCCC2)cc1 ZINC000823338016 606103736 /nfs/dbraw/zinc/10/37/36/606103736.db2.gz WFLUKHUZIJSPKL-UHFFFAOYSA-N -1 3 366.400 3.248 20 0 FGADHM Fc1ccc(F)c2c1ncc(-c1nnn[n-]1)c2N1C[C@H]2CCCC[C@@H]2C1 ZINC000822773956 606106121 /nfs/dbraw/zinc/10/61/21/606106121.db2.gz CIILLGNFGYQHDV-GHMZBOCLSA-N -1 3 356.380 3.320 20 0 FGADHM Fc1ccc(F)c2c1ncc(-c1nn[n-]n1)c2N1C[C@H]2CCCC[C@@H]2C1 ZINC000822773956 606106122 /nfs/dbraw/zinc/10/61/22/606106122.db2.gz CIILLGNFGYQHDV-GHMZBOCLSA-N -1 3 356.380 3.320 20 0 FGADHM CCS[C@@H]1CCCC[C@@H]1NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000821455905 606121445 /nfs/dbraw/zinc/12/14/45/606121445.db2.gz MOBGNVSJJWVZRV-YSANFCEKSA-N -1 3 357.483 3.060 20 0 FGADHM CCS[C@@H]1CCCC[C@@H]1NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000821455905 606121446 /nfs/dbraw/zinc/12/14/46/606121446.db2.gz MOBGNVSJJWVZRV-YSANFCEKSA-N -1 3 357.483 3.060 20 0 FGADHM CN(Cc1ccc[nH]1)C(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000821612196 606149685 /nfs/dbraw/zinc/14/96/85/606149685.db2.gz MJVLVZJDRDIKIF-UHFFFAOYSA-N -1 3 358.405 3.134 20 0 FGADHM CN(Cc1ccc[nH]1)C(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000821612196 606149687 /nfs/dbraw/zinc/14/96/87/606149687.db2.gz MJVLVZJDRDIKIF-UHFFFAOYSA-N -1 3 358.405 3.134 20 0 FGADHM C[C@H](NC(=O)C/C=C\c1ccc(F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820321747 606153507 /nfs/dbraw/zinc/15/35/07/606153507.db2.gz MCOAZRHGVOIEFG-LSYFEZSPSA-N -1 3 351.385 3.287 20 0 FGADHM C[C@H](NC(=O)C/C=C\c1ccc(F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820321747 606153508 /nfs/dbraw/zinc/15/35/08/606153508.db2.gz MCOAZRHGVOIEFG-LSYFEZSPSA-N -1 3 351.385 3.287 20 0 FGADHM C[C@@H]1c2ccccc2CN1Cn1ccc(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000820827366 606155891 /nfs/dbraw/zinc/15/58/91/606155891.db2.gz RZSTYKRGXZSAEP-CQSZACIVSA-N -1 3 357.421 3.265 20 0 FGADHM C[C@@H]1c2ccccc2CN1Cn1ccc(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000820827366 606155892 /nfs/dbraw/zinc/15/58/92/606155892.db2.gz RZSTYKRGXZSAEP-CQSZACIVSA-N -1 3 357.421 3.265 20 0 FGADHM CN(Cc1nc2c(s1)CCCC2)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000821616810 606164454 /nfs/dbraw/zinc/16/44/54/606164454.db2.gz IKGIGMITUUEKDS-UHFFFAOYSA-N -1 3 360.874 3.492 20 0 FGADHM CN(Cc1nc2c(s1)CCCC2)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000821616810 606164456 /nfs/dbraw/zinc/16/44/56/606164456.db2.gz IKGIGMITUUEKDS-UHFFFAOYSA-N -1 3 360.874 3.492 20 0 FGADHM C[C@@H](OC(=O)CCc1ccc(-c2nnn[n-]2)cc1)c1ncc(C(C)(C)C)o1 ZINC000820498172 606167311 /nfs/dbraw/zinc/16/73/11/606167311.db2.gz YXUTVIVBBNMJOK-GFCCVEGCSA-N -1 3 369.425 3.389 20 0 FGADHM C[C@@H](OC(=O)CCc1ccc(-c2nn[n-]n2)cc1)c1ncc(C(C)(C)C)o1 ZINC000820498172 606167313 /nfs/dbraw/zinc/16/73/13/606167313.db2.gz YXUTVIVBBNMJOK-GFCCVEGCSA-N -1 3 369.425 3.389 20 0 FGADHM CCOc1ncccc1CNc1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000821436778 606174401 /nfs/dbraw/zinc/17/44/01/606174401.db2.gz FJLHQYMWPGUJQL-UHFFFAOYSA-N -1 3 364.331 3.291 20 0 FGADHM CCOc1ncccc1CNc1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000821436778 606174402 /nfs/dbraw/zinc/17/44/02/606174402.db2.gz FJLHQYMWPGUJQL-UHFFFAOYSA-N -1 3 364.331 3.291 20 0 FGADHM FC(F)(F)c1ccc(NCCc2cn3ccccc3n2)c(-c2nnn[n-]2)c1 ZINC000822728345 606174758 /nfs/dbraw/zinc/17/47/58/606174758.db2.gz HPSULQZTKDAOGJ-UHFFFAOYSA-N -1 3 373.342 3.188 20 0 FGADHM FC(F)(F)c1ccc(NCCc2cn3ccccc3n2)c(-c2nn[n-]n2)c1 ZINC000822728345 606174759 /nfs/dbraw/zinc/17/47/59/606174759.db2.gz HPSULQZTKDAOGJ-UHFFFAOYSA-N -1 3 373.342 3.188 20 0 FGADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc(OC(C)(C)C)cc1 ZINC000821613314 606185411 /nfs/dbraw/zinc/18/54/11/606185411.db2.gz HXVBKAOMAHUACF-UHFFFAOYSA-N -1 3 365.437 3.316 20 0 FGADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc(OC(C)(C)C)cc1 ZINC000821613314 606185413 /nfs/dbraw/zinc/18/54/13/606185413.db2.gz HXVBKAOMAHUACF-UHFFFAOYSA-N -1 3 365.437 3.316 20 0 FGADHM C[C@H]1Sc2ccccc2N(C(=O)Cc2ccc(-c3nnn[n-]3)cc2)[C@@H]1C ZINC000820819384 606189736 /nfs/dbraw/zinc/18/97/36/606189736.db2.gz IERULXPLOFPRJM-CHWSQXEVSA-N -1 3 365.462 3.325 20 0 FGADHM C[C@H]1Sc2ccccc2N(C(=O)Cc2ccc(-c3nn[n-]n3)cc2)[C@@H]1C ZINC000820819384 606189738 /nfs/dbraw/zinc/18/97/38/606189738.db2.gz IERULXPLOFPRJM-CHWSQXEVSA-N -1 3 365.462 3.325 20 0 FGADHM CC(C)(NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccc(F)c(F)c1 ZINC000819988204 606193478 /nfs/dbraw/zinc/19/34/78/606193478.db2.gz UHQCGRYPZLVHBY-JXMROGBWSA-N -1 3 369.375 3.210 20 0 FGADHM CC(C)(NC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ccc(F)c(F)c1 ZINC000819988204 606193480 /nfs/dbraw/zinc/19/34/80/606193480.db2.gz UHQCGRYPZLVHBY-JXMROGBWSA-N -1 3 369.375 3.210 20 0 FGADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1ccccc1Cc1ccccc1 ZINC000822654961 606209737 /nfs/dbraw/zinc/20/97/37/606209737.db2.gz AIHNGKOZIAZDDA-UHFFFAOYSA-N -1 3 358.405 3.048 20 0 FGADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1ccccc1Cc1ccccc1 ZINC000822654961 606209738 /nfs/dbraw/zinc/20/97/38/606209738.db2.gz AIHNGKOZIAZDDA-UHFFFAOYSA-N -1 3 358.405 3.048 20 0 FGADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)c1occc1Br ZINC000823333156 606217352 /nfs/dbraw/zinc/21/73/52/606217352.db2.gz YSLYKVPDBDFHIG-UHFFFAOYSA-N -1 3 368.578 3.128 20 0 FGADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)c1occc1Br ZINC000823333156 606217353 /nfs/dbraw/zinc/21/73/53/606217353.db2.gz YSLYKVPDBDFHIG-UHFFFAOYSA-N -1 3 368.578 3.128 20 0 FGADHM CCn1c2ccccc2nc1[C@@H](C)NCc1cc(-c2nnn[n-]2)cs1 ZINC000821563854 606219938 /nfs/dbraw/zinc/21/99/38/606219938.db2.gz IPLBJBCBGLQWTH-LLVKDONJSA-N -1 3 353.455 3.149 20 0 FGADHM CCn1c2ccccc2nc1[C@@H](C)NCc1cc(-c2nn[n-]n2)cs1 ZINC000821563854 606219940 /nfs/dbraw/zinc/21/99/40/606219940.db2.gz IPLBJBCBGLQWTH-LLVKDONJSA-N -1 3 353.455 3.149 20 0 FGADHM CN(Cc1nc2ccccc2n1C)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000821618042 606221575 /nfs/dbraw/zinc/22/15/75/606221575.db2.gz NVEUUGRPUHBUBV-UHFFFAOYSA-N -1 3 353.817 3.043 20 0 FGADHM CN(Cc1nc2ccccc2n1C)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000821618042 606221577 /nfs/dbraw/zinc/22/15/77/606221577.db2.gz NVEUUGRPUHBUBV-UHFFFAOYSA-N -1 3 353.817 3.043 20 0 FGADHM CC(C)[C@@H](CNc1c(-c2nnn[n-]2)cnc2ccccc21)c1cccnc1 ZINC000820021487 606229006 /nfs/dbraw/zinc/22/90/06/606229006.db2.gz VCRYGOPFJGAMOC-MRXNPFEDSA-N -1 3 359.437 3.084 20 0 FGADHM CC(C)[C@@H](CNc1c(-c2nn[n-]n2)cnc2ccccc21)c1cccnc1 ZINC000820021487 606229008 /nfs/dbraw/zinc/22/90/08/606229008.db2.gz VCRYGOPFJGAMOC-MRXNPFEDSA-N -1 3 359.437 3.084 20 0 FGADHM CC1(C)CN(c2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)CCS1 ZINC000820607361 606230774 /nfs/dbraw/zinc/23/07/74/606230774.db2.gz RQIXFBUCFMTXIK-UHFFFAOYSA-N -1 3 360.874 3.400 20 0 FGADHM CC1(C)CN(c2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)CCS1 ZINC000820607361 606230776 /nfs/dbraw/zinc/23/07/76/606230776.db2.gz RQIXFBUCFMTXIK-UHFFFAOYSA-N -1 3 360.874 3.400 20 0 FGADHM Cc1ccc(Cl)cc1N[C@@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O ZINC000822239832 606243996 /nfs/dbraw/zinc/24/39/96/606243996.db2.gz GQUQMZUYSPDTJG-GFCCVEGCSA-N -1 3 374.857 3.107 20 0 FGADHM Cc1ccc(Cl)cc1N[C@@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O ZINC000822239832 606243997 /nfs/dbraw/zinc/24/39/97/606243997.db2.gz GQUQMZUYSPDTJG-GFCCVEGCSA-N -1 3 374.857 3.107 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cnc(CCC)s1 ZINC000821122886 606283200 /nfs/dbraw/zinc/28/32/00/606283200.db2.gz ATVMIAXAPLZWED-UHFFFAOYSA-N -1 3 371.470 3.350 20 0 FGADHM C[C@@H](CNC(=O)[C@@H](C)Sc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000820556096 606325450 /nfs/dbraw/zinc/32/54/50/606325450.db2.gz RKFJTHACLWPGTM-UONOGXRCSA-N -1 3 367.478 3.267 20 0 FGADHM C[C@@H](CNC(=O)[C@@H](C)Sc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000820556096 606325453 /nfs/dbraw/zinc/32/54/53/606325453.db2.gz RKFJTHACLWPGTM-UONOGXRCSA-N -1 3 367.478 3.267 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)Nc1ccc(OCC(F)F)cc1 ZINC000822935008 606325708 /nfs/dbraw/zinc/32/57/08/606325708.db2.gz FSGKVPTUCFUPAS-BJMVGYQFSA-N -1 3 371.347 3.163 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)Nc1ccc(OCC(F)F)cc1 ZINC000822935008 606325710 /nfs/dbraw/zinc/32/57/10/606325710.db2.gz FSGKVPTUCFUPAS-BJMVGYQFSA-N -1 3 371.347 3.163 20 0 FGADHM O=C(CS[C@H]1CCc2ccc(F)cc21)Nc1cccc(-c2nnn[n-]2)c1 ZINC000823054820 606334331 /nfs/dbraw/zinc/33/43/31/606334331.db2.gz DYWCONMWQVHXAC-INIZCTEOSA-N -1 3 369.425 3.365 20 0 FGADHM O=C(CS[C@H]1CCc2ccc(F)cc21)Nc1cccc(-c2nn[n-]n2)c1 ZINC000823054820 606334333 /nfs/dbraw/zinc/33/43/33/606334333.db2.gz DYWCONMWQVHXAC-INIZCTEOSA-N -1 3 369.425 3.365 20 0 FGADHM Cc1nc(C)c(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCC3)o1 ZINC000822427764 606336270 /nfs/dbraw/zinc/33/62/70/606336270.db2.gz UAPMWJJVCKTHDB-UHFFFAOYSA-N -1 3 358.427 3.054 20 0 FGADHM Cc1nc(C)c(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCC3)o1 ZINC000822427764 606336272 /nfs/dbraw/zinc/33/62/72/606336272.db2.gz UAPMWJJVCKTHDB-UHFFFAOYSA-N -1 3 358.427 3.054 20 0 FGADHM C[C@H](OC(=O)COc1cccc(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820496681 606340502 /nfs/dbraw/zinc/34/05/02/606340502.db2.gz NVTHVHLUFCOGMP-NSHDSACASA-N -1 3 358.785 3.203 20 0 FGADHM C[C@H](OC(=O)COc1cccc(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820496681 606340504 /nfs/dbraw/zinc/34/05/04/606340504.db2.gz NVTHVHLUFCOGMP-NSHDSACASA-N -1 3 358.785 3.203 20 0 FGADHM C[C@H](OCc1ccccc1)C(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820518610 606340872 /nfs/dbraw/zinc/34/08/72/606340872.db2.gz HPJONXJXISTGHZ-KBPBESRZSA-N -1 3 352.394 3.076 20 0 FGADHM C[C@H](OCc1ccccc1)C(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820518610 606340874 /nfs/dbraw/zinc/34/08/74/606340874.db2.gz HPJONXJXISTGHZ-KBPBESRZSA-N -1 3 352.394 3.076 20 0 FGADHM CCO[C@H](C(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000821346761 606342967 /nfs/dbraw/zinc/34/29/67/606342967.db2.gz PLFKBCSCXBITMK-GUYCJALGSA-N -1 3 352.394 3.249 20 0 FGADHM CCO[C@H](C(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000821346761 606342969 /nfs/dbraw/zinc/34/29/69/606342969.db2.gz PLFKBCSCXBITMK-GUYCJALGSA-N -1 3 352.394 3.249 20 0 FGADHM Cc1cc2ccccc2n1CC(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000822212725 606349885 /nfs/dbraw/zinc/34/98/85/606349885.db2.gz FAECAXHMVJHILO-CQSZACIVSA-N -1 3 361.405 3.434 20 0 FGADHM Cc1cc2ccccc2n1CC(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000822212725 606349886 /nfs/dbraw/zinc/34/98/86/606349886.db2.gz FAECAXHMVJHILO-CQSZACIVSA-N -1 3 361.405 3.434 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000823344067 606350347 /nfs/dbraw/zinc/35/03/47/606350347.db2.gz PPTFVVODVUVEHQ-KCXRBIIJSA-N -1 3 356.405 3.048 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000823344067 606350348 /nfs/dbraw/zinc/35/03/48/606350348.db2.gz PPTFVVODVUVEHQ-KCXRBIIJSA-N -1 3 356.405 3.048 20 0 FGADHM C[C@H](OC(=O)CCCOc1cccc(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820495247 606350482 /nfs/dbraw/zinc/35/04/82/606350482.db2.gz FJPVNACBLQDYPZ-ZDUSSCGKSA-N -1 3 370.384 3.469 20 0 FGADHM C[C@H](OC(=O)CCCOc1cccc(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820495247 606350483 /nfs/dbraw/zinc/35/04/83/606350483.db2.gz FJPVNACBLQDYPZ-ZDUSSCGKSA-N -1 3 370.384 3.469 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)N1CC[C@@H](c2ccccc2F)C1 ZINC000823343732 606353107 /nfs/dbraw/zinc/35/31/07/606353107.db2.gz FOPBBHSSWREDJM-LLVKDONJSA-N -1 3 370.363 3.166 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)N1CC[C@@H](c2ccccc2F)C1 ZINC000823343732 606353108 /nfs/dbraw/zinc/35/31/08/606353108.db2.gz FOPBBHSSWREDJM-LLVKDONJSA-N -1 3 370.363 3.166 20 0 FGADHM Cc1ccc([C@@H](C)CNC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000822229208 606354303 /nfs/dbraw/zinc/35/43/03/606354303.db2.gz OYCSHZYORJURQK-LBPRGKRZSA-N -1 3 354.389 3.239 20 0 FGADHM Cc1ccc([C@@H](C)CNC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000822229208 606354305 /nfs/dbraw/zinc/35/43/05/606354305.db2.gz OYCSHZYORJURQK-LBPRGKRZSA-N -1 3 354.389 3.239 20 0 FGADHM CC(C)(C)C(=O)C(=O)Oc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000819891851 606360740 /nfs/dbraw/zinc/36/07/40/606360740.db2.gz ILOPKLOXYILIMS-UHFFFAOYSA-N -1 3 366.377 3.180 20 0 FGADHM CC(C)(C)C(=O)C(=O)Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000819891851 606360741 /nfs/dbraw/zinc/36/07/41/606360741.db2.gz ILOPKLOXYILIMS-UHFFFAOYSA-N -1 3 366.377 3.180 20 0 FGADHM Cn1cccc1C(=O)Oc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822689797 606361669 /nfs/dbraw/zinc/36/16/69/606361669.db2.gz OMAMYXVQPRBHEZ-UHFFFAOYSA-N -1 3 361.361 3.217 20 0 FGADHM Cn1cccc1C(=O)Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822689797 606361670 /nfs/dbraw/zinc/36/16/70/606361670.db2.gz OMAMYXVQPRBHEZ-UHFFFAOYSA-N -1 3 361.361 3.217 20 0 FGADHM C[C@H](C1CC1)N(C(=O)CS[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000820549979 606372056 /nfs/dbraw/zinc/37/20/56/606372056.db2.gz UJTQNNYMQWZXHT-OLZOCXBDSA-N -1 3 371.510 3.450 20 0 FGADHM C[C@H](C1CC1)N(C(=O)CS[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000820549979 606372058 /nfs/dbraw/zinc/37/20/58/606372058.db2.gz UJTQNNYMQWZXHT-OLZOCXBDSA-N -1 3 371.510 3.450 20 0 FGADHM O=C(Nc1sccc1-c1nnn[n-]1)c1cc(Cl)ccc1OC(F)F ZINC000823387427 606373375 /nfs/dbraw/zinc/37/33/75/606373375.db2.gz JMTGZNUZDPLCTQ-UHFFFAOYSA-N -1 3 371.756 3.435 20 0 FGADHM O=C(Nc1sccc1-c1nn[n-]n1)c1cc(Cl)ccc1OC(F)F ZINC000823387427 606373377 /nfs/dbraw/zinc/37/33/77/606373377.db2.gz JMTGZNUZDPLCTQ-UHFFFAOYSA-N -1 3 371.756 3.435 20 0 FGADHM CCS[C@H]1CCC[C@@H](NC(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000821456553 606384783 /nfs/dbraw/zinc/38/47/83/606384783.db2.gz PYFYTRFPQYAEAM-CVEARBPZSA-N -1 3 374.514 3.072 20 0 FGADHM CCS[C@H]1CCC[C@@H](NC(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000821456553 606384784 /nfs/dbraw/zinc/38/47/84/606384784.db2.gz PYFYTRFPQYAEAM-CVEARBPZSA-N -1 3 374.514 3.072 20 0 FGADHM Cc1ccc([C@@H]2CCC[C@H]2OC(=O)c2cc(-c3nnn[n-]3)cn2C)cc1 ZINC000822233732 606409447 /nfs/dbraw/zinc/40/94/47/606409447.db2.gz UEEUBHLVZBLKMV-DOTOQJQBSA-N -1 3 351.410 3.007 20 0 FGADHM Cc1ccc([C@@H]2CCC[C@H]2OC(=O)c2cc(-c3nn[n-]n3)cn2C)cc1 ZINC000822233732 606409449 /nfs/dbraw/zinc/40/94/49/606409449.db2.gz UEEUBHLVZBLKMV-DOTOQJQBSA-N -1 3 351.410 3.007 20 0 FGADHM Brc1ccsc1CNCc1ccc(-c2nnn[n-]2)s1 ZINC000819688947 606415591 /nfs/dbraw/zinc/41/55/91/606415591.db2.gz RGZBSNRTROWHGG-UHFFFAOYSA-N -1 3 356.274 3.042 20 0 FGADHM FC(F)Oc1ccc(Cl)cc1CNCc1ccc(-c2nnn[n-]2)s1 ZINC000822731365 606426502 /nfs/dbraw/zinc/42/65/02/606426502.db2.gz CKGIOINCGHARNW-UHFFFAOYSA-N -1 3 371.800 3.473 20 0 FGADHM CO[C@H](C)c1nc(CNc2ccc(-c3nnn[n-]3)c(Cl)c2)cs1 ZINC000821675335 606429549 /nfs/dbraw/zinc/42/95/49/606429549.db2.gz IZAZLVXLAGNWPS-MRVPVSSYSA-N -1 3 350.835 3.296 20 0 FGADHM CO[C@H](C)c1nc(CNc2ccc(-c3nn[n-]n3)c(Cl)c2)cs1 ZINC000821675335 606429551 /nfs/dbraw/zinc/42/95/51/606429551.db2.gz IZAZLVXLAGNWPS-MRVPVSSYSA-N -1 3 350.835 3.296 20 0 FGADHM CCOc1ccc(OCC)c(NCc2cc(-c3nnn[n-]3)ccc2F)c1 ZINC000821427540 606440107 /nfs/dbraw/zinc/44/01/07/606440107.db2.gz UTEDSGXRUBOGSZ-UHFFFAOYSA-N -1 3 357.389 3.415 20 0 FGADHM CCOc1ccc(OCC)c(NCc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC000821427540 606440109 /nfs/dbraw/zinc/44/01/09/606440109.db2.gz UTEDSGXRUBOGSZ-UHFFFAOYSA-N -1 3 357.389 3.415 20 0 FGADHM Cc1cc([C@H](C)NC(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)ccc1F ZINC000822192047 606444358 /nfs/dbraw/zinc/44/43/58/606444358.db2.gz XMCSLVQGILDJAQ-ZDUSSCGKSA-N -1 3 368.416 3.217 20 0 FGADHM Cc1cc([C@H](C)NC(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)ccc1F ZINC000822192047 606444359 /nfs/dbraw/zinc/44/43/59/606444359.db2.gz XMCSLVQGILDJAQ-ZDUSSCGKSA-N -1 3 368.416 3.217 20 0 FGADHM Cc1cccc(C)c1NC(=O)CN(C)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000822294410 606448803 /nfs/dbraw/zinc/44/88/03/606448803.db2.gz ZTEDBANSAFMRCU-UHFFFAOYSA-N -1 3 370.844 3.212 20 0 FGADHM Cc1cccc(C)c1NC(=O)CN(C)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000822294410 606448805 /nfs/dbraw/zinc/44/88/05/606448805.db2.gz ZTEDBANSAFMRCU-UHFFFAOYSA-N -1 3 370.844 3.212 20 0 FGADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1CCC[C@H]1c1ccccn1 ZINC000822331280 606460573 /nfs/dbraw/zinc/46/05/73/606460573.db2.gz BNHUWUARNYNIAR-KRWDZBQOSA-N -1 3 357.421 3.460 20 0 FGADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N1CCC[C@H]1c1ccccn1 ZINC000822331280 606460574 /nfs/dbraw/zinc/46/05/74/606460574.db2.gz BNHUWUARNYNIAR-KRWDZBQOSA-N -1 3 357.421 3.460 20 0 FGADHM O=C(OCc1cccc(C(F)(F)F)c1)c1cc(-c2nnn[n-]2)cs1 ZINC000823431624 606463731 /nfs/dbraw/zinc/46/37/31/606463731.db2.gz TVTYRKHJTNLIGC-UHFFFAOYSA-N -1 3 354.313 3.304 20 0 FGADHM O=C(OCc1cccc(C(F)(F)F)c1)c1cc(-c2nn[n-]n2)cs1 ZINC000823431624 606463732 /nfs/dbraw/zinc/46/37/32/606463732.db2.gz TVTYRKHJTNLIGC-UHFFFAOYSA-N -1 3 354.313 3.304 20 0 FGADHM O=C(OCc1ccc(Br)s1)c1cc(-c2nnn[n-]2)cs1 ZINC000823422644 606463976 /nfs/dbraw/zinc/46/39/76/606463976.db2.gz ZVAORMIRQPTWKH-UHFFFAOYSA-N -1 3 371.241 3.109 20 0 FGADHM O=C(OCc1ccc(Br)s1)c1cc(-c2nn[n-]n2)cs1 ZINC000823422644 606463978 /nfs/dbraw/zinc/46/39/78/606463978.db2.gz ZVAORMIRQPTWKH-UHFFFAOYSA-N -1 3 371.241 3.109 20 0 FGADHM CCN(c1ccc(NC(=O)c2cc(-c3nnn[n-]3)cs2)cc1)C(C)C ZINC000821240489 606477985 /nfs/dbraw/zinc/47/79/85/606477985.db2.gz HDNHPUPZPPMOMO-UHFFFAOYSA-N -1 3 356.455 3.415 20 0 FGADHM CCN(c1ccc(NC(=O)c2cc(-c3nn[n-]n3)cs2)cc1)C(C)C ZINC000821240489 606477987 /nfs/dbraw/zinc/47/79/87/606477987.db2.gz HDNHPUPZPPMOMO-UHFFFAOYSA-N -1 3 356.455 3.415 20 0 FGADHM C[C@H](NC(=O)c1cc(-c2nnn[n-]2)cs1)c1ccccc1OC(F)F ZINC000820390046 606491933 /nfs/dbraw/zinc/49/19/33/606491933.db2.gz DJLOYPYFJSQENV-QMMMGPOBSA-N -1 3 365.365 3.021 20 0 FGADHM C[C@H](NC(=O)c1cc(-c2nn[n-]n2)cs1)c1ccccc1OC(F)F ZINC000820390046 606491934 /nfs/dbraw/zinc/49/19/34/606491934.db2.gz DJLOYPYFJSQENV-QMMMGPOBSA-N -1 3 365.365 3.021 20 0 FGADHM COc1cccc(N(CC(C)C)C(=O)c2cc(-c3nnn[n-]3)cs2)c1 ZINC000821873772 606492625 /nfs/dbraw/zinc/49/26/25/606492625.db2.gz YAUQLKXBFCFKTO-UHFFFAOYSA-N -1 3 357.439 3.240 20 0 FGADHM COc1cccc(N(CC(C)C)C(=O)c2cc(-c3nn[n-]n3)cs2)c1 ZINC000821873772 606492626 /nfs/dbraw/zinc/49/26/26/606492626.db2.gz YAUQLKXBFCFKTO-UHFFFAOYSA-N -1 3 357.439 3.240 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)c1oc(C)cc1C ZINC000821389176 606493365 /nfs/dbraw/zinc/49/33/65/606493365.db2.gz HWMJJDBNEGYBSG-UHFFFAOYSA-N -1 3 362.773 3.348 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)c1oc(C)cc1C ZINC000821389176 606493366 /nfs/dbraw/zinc/49/33/66/606493366.db2.gz HWMJJDBNEGYBSG-UHFFFAOYSA-N -1 3 362.773 3.348 20 0 FGADHM CCCOc1cc(C)ccc1NC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821128680 606514701 /nfs/dbraw/zinc/51/47/01/606514701.db2.gz ZGAQKEDRRBCVFM-UHFFFAOYSA-N -1 3 351.410 3.145 20 0 FGADHM CCCOc1cc(C)ccc1NC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821128680 606514702 /nfs/dbraw/zinc/51/47/02/606514702.db2.gz ZGAQKEDRRBCVFM-UHFFFAOYSA-N -1 3 351.410 3.145 20 0 FGADHM CC(=Cc1ccc(F)cc1)C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000819765380 606522626 /nfs/dbraw/zinc/52/26/26/606522626.db2.gz PDNSWJCZPPHQEL-YLGBQOPLSA-N -1 3 351.385 3.287 20 0 FGADHM CC(=Cc1ccc(F)cc1)C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000819765380 606522627 /nfs/dbraw/zinc/52/26/27/606522627.db2.gz PDNSWJCZPPHQEL-YLGBQOPLSA-N -1 3 351.385 3.287 20 0 FGADHM COc1ccccc1[C@@H](CC(C)C)NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000821883360 606525771 /nfs/dbraw/zinc/52/57/71/606525771.db2.gz UGXAATBICIAFRC-CQSZACIVSA-N -1 3 371.466 3.454 20 0 FGADHM COc1ccccc1[C@@H](CC(C)C)NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000821883360 606525773 /nfs/dbraw/zinc/52/57/73/606525773.db2.gz UGXAATBICIAFRC-CQSZACIVSA-N -1 3 371.466 3.454 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(C)=Cc1ccc(F)cc1 ZINC000821399761 606532449 /nfs/dbraw/zinc/53/24/49/606532449.db2.gz BBPXUMQVOWHROK-BENRWUELSA-N -1 3 367.384 3.447 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(C)=Cc1ccc(F)cc1 ZINC000821399761 606532451 /nfs/dbraw/zinc/53/24/51/606532451.db2.gz BBPXUMQVOWHROK-BENRWUELSA-N -1 3 367.384 3.447 20 0 FGADHM Cc1nc(-c2cccc(NC(=O)c3ccc(-c4nnn[n-]4)s3)c2)[nH]c1C ZINC000822418842 606533419 /nfs/dbraw/zinc/53/34/19/606533419.db2.gz GRPQWQDLMYAKPI-UHFFFAOYSA-N -1 3 365.422 3.187 20 0 FGADHM O=C(Nc1ccc(OC2CCC2)c(F)c1)c1cc(-c2nnn[n-]2)cs1 ZINC000823350627 606534640 /nfs/dbraw/zinc/53/46/40/606534640.db2.gz UYKIHCCIDWZFCY-UHFFFAOYSA-N -1 3 359.386 3.251 20 0 FGADHM O=C(Nc1ccc(OC2CCC2)c(F)c1)c1cc(-c2nn[n-]n2)cs1 ZINC000823350627 606534642 /nfs/dbraw/zinc/53/46/42/606534642.db2.gz UYKIHCCIDWZFCY-UHFFFAOYSA-N -1 3 359.386 3.251 20 0 FGADHM O=C(c1cc(-c2nnn[n-]2)cs1)N1CCC(c2cccc(F)c2)CC1 ZINC000823472515 606539457 /nfs/dbraw/zinc/53/94/57/606539457.db2.gz PGFLTNHVPJOCGF-UHFFFAOYSA-N -1 3 357.414 3.087 20 0 FGADHM O=C(c1cc(-c2nn[n-]n2)cs1)N1CCC(c2cccc(F)c2)CC1 ZINC000823472515 606539459 /nfs/dbraw/zinc/53/94/59/606539459.db2.gz PGFLTNHVPJOCGF-UHFFFAOYSA-N -1 3 357.414 3.087 20 0 FGADHM Cc1ccc(C[C@H]2CCCN(C(=O)c3cc(-c4nnn[n-]4)cs3)C2)cc1 ZINC000822234715 606540499 /nfs/dbraw/zinc/54/04/99/606540499.db2.gz FLHDCDWBTRXAFF-OAHLLOKOSA-N -1 3 367.478 3.332 20 0 FGADHM Cc1ccc(C[C@H]2CCCN(C(=O)c3cc(-c4nn[n-]n4)cs3)C2)cc1 ZINC000822234715 606540501 /nfs/dbraw/zinc/54/05/01/606540501.db2.gz FLHDCDWBTRXAFF-OAHLLOKOSA-N -1 3 367.478 3.332 20 0 FGADHM C[C@@]1(c2ccccc2)CCCN(C(=O)c2cc(-c3nnn[n-]3)cs2)C1 ZINC000820636254 606540983 /nfs/dbraw/zinc/54/09/83/606540983.db2.gz QYYSYAKYHNJKGB-GOSISDBHSA-N -1 3 353.451 3.122 20 0 FGADHM C[C@@]1(c2ccccc2)CCCN(C(=O)c2cc(-c3nn[n-]n3)cs2)C1 ZINC000820636254 606540984 /nfs/dbraw/zinc/54/09/84/606540984.db2.gz QYYSYAKYHNJKGB-GOSISDBHSA-N -1 3 353.451 3.122 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1ccc(Nc2ccccc2)nc1 ZINC000823103744 606542978 /nfs/dbraw/zinc/54/29/78/606542978.db2.gz KMPHSHHWRSKBRH-UHFFFAOYSA-N -1 3 371.404 3.187 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1ccc(Nc2ccccc2)nc1 ZINC000823103744 606542979 /nfs/dbraw/zinc/54/29/79/606542979.db2.gz KMPHSHHWRSKBRH-UHFFFAOYSA-N -1 3 371.404 3.187 20 0 FGADHM Cc1ccccc1CC(=O)OCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000822356596 606556789 /nfs/dbraw/zinc/55/67/89/606556789.db2.gz VILQDLAEDJANNL-UHFFFAOYSA-N -1 3 374.347 3.062 20 0 FGADHM Cc1ccccc1CC(=O)OCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000822356596 606556791 /nfs/dbraw/zinc/55/67/91/606556791.db2.gz VILQDLAEDJANNL-UHFFFAOYSA-N -1 3 374.347 3.062 20 0 FGADHM O=C(OCc1ccccc1Br)c1cc(-c2nnn[n-]2)cs1 ZINC000823431841 606566679 /nfs/dbraw/zinc/56/66/79/606566679.db2.gz ZIIBIDRXSDWFTE-UHFFFAOYSA-N -1 3 365.212 3.048 20 0 FGADHM O=C(OCc1ccccc1Br)c1cc(-c2nn[n-]n2)cs1 ZINC000823431841 606566681 /nfs/dbraw/zinc/56/66/81/606566681.db2.gz ZIIBIDRXSDWFTE-UHFFFAOYSA-N -1 3 365.212 3.048 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N1CCCCC[C@H]1c1ccco1 ZINC000823087489 606568791 /nfs/dbraw/zinc/56/87/91/606568791.db2.gz RIYXPLQHFXHOBC-INIZCTEOSA-N -1 3 351.410 3.146 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N1CCCCC[C@H]1c1ccco1 ZINC000823087489 606568792 /nfs/dbraw/zinc/56/87/92/606568792.db2.gz RIYXPLQHFXHOBC-INIZCTEOSA-N -1 3 351.410 3.146 20 0 FGADHM O=C(OCc1cc(-c2ccc(F)cc2)no1)c1cc(-c2nnn[n-]2)cs1 ZINC000823414308 606569442 /nfs/dbraw/zinc/56/94/42/606569442.db2.gz TXOGIQKSFADIOH-UHFFFAOYSA-N -1 3 371.353 3.079 20 0 FGADHM O=C(OCc1cc(-c2ccc(F)cc2)no1)c1cc(-c2nn[n-]n2)cs1 ZINC000823414308 606569444 /nfs/dbraw/zinc/56/94/44/606569444.db2.gz TXOGIQKSFADIOH-UHFFFAOYSA-N -1 3 371.353 3.079 20 0 FGADHM C[C@H]1CN(C(=O)Cc2cccc(-c3nnn[n-]3)c2)CC[C@H]1c1ccccc1 ZINC000820733020 606574136 /nfs/dbraw/zinc/57/41/36/606574136.db2.gz CCGWAFKEKZXYTB-HNAYVOBHSA-N -1 3 361.449 3.061 20 0 FGADHM C[C@H]1CN(C(=O)Cc2cccc(-c3nn[n-]n3)c2)CC[C@H]1c1ccccc1 ZINC000820733020 606574137 /nfs/dbraw/zinc/57/41/37/606574137.db2.gz CCGWAFKEKZXYTB-HNAYVOBHSA-N -1 3 361.449 3.061 20 0 FGADHM CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820914632 606575774 /nfs/dbraw/zinc/57/57/74/606575774.db2.gz QILXXGSBAHUTCO-IBGZPJMESA-N -1 3 363.465 3.197 20 0 FGADHM CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820914632 606575776 /nfs/dbraw/zinc/57/57/76/606575776.db2.gz QILXXGSBAHUTCO-IBGZPJMESA-N -1 3 363.465 3.197 20 0 FGADHM FC(F)Oc1cc(-c2nnn[n-]2)ccc1Cn1cc(-c2ccccc2)cn1 ZINC000822731339 606591728 /nfs/dbraw/zinc/59/17/28/606591728.db2.gz BYMXTCRACMQLMW-UHFFFAOYSA-N -1 3 368.347 3.380 20 0 FGADHM FC(F)Oc1cc(-c2nn[n-]n2)ccc1Cn1cc(-c2ccccc2)cn1 ZINC000822731339 606591729 /nfs/dbraw/zinc/59/17/29/606591729.db2.gz BYMXTCRACMQLMW-UHFFFAOYSA-N -1 3 368.347 3.380 20 0 FGADHM Fc1ccc(F)c2c1CCN(c1c(-c3nnn[n-]3)cnc3ccccc31)C2 ZINC000822774216 606592731 /nfs/dbraw/zinc/59/27/31/606592731.db2.gz HFXJECDSLMLCAQ-UHFFFAOYSA-N -1 3 364.359 3.256 20 0 FGADHM Fc1ccc(F)c2c1CCN(c1c(-c3nn[n-]n3)cnc3ccccc31)C2 ZINC000822774216 606592732 /nfs/dbraw/zinc/59/27/32/606592732.db2.gz HFXJECDSLMLCAQ-UHFFFAOYSA-N -1 3 364.359 3.256 20 0 FGADHM COc1ccc(NCc2ccc(-c3nnn[n-]3)cc2OC(F)F)cc1F ZINC000821835473 606597028 /nfs/dbraw/zinc/59/70/28/606597028.db2.gz LJOBOWAWEABOPF-UHFFFAOYSA-N -1 3 365.315 3.228 20 0 FGADHM COc1ccc(NCc2ccc(-c3nn[n-]n3)cc2OC(F)F)cc1F ZINC000821835473 606597029 /nfs/dbraw/zinc/59/70/29/606597029.db2.gz LJOBOWAWEABOPF-UHFFFAOYSA-N -1 3 365.315 3.228 20 0 FGADHM Fc1cc(F)cc(NCc2ccc(-c3nnn[n-]3)cc2OC(F)F)c1 ZINC000822753298 606597799 /nfs/dbraw/zinc/59/77/99/606597799.db2.gz MDHDLKXLTREISE-UHFFFAOYSA-N -1 3 353.279 3.358 20 0 FGADHM Fc1cc(F)cc(NCc2ccc(-c3nn[n-]n3)cc2OC(F)F)c1 ZINC000822753298 606597801 /nfs/dbraw/zinc/59/78/01/606597801.db2.gz MDHDLKXLTREISE-UHFFFAOYSA-N -1 3 353.279 3.358 20 0 FGADHM Cc1cc(-c2nn[n-]n2)cc(C)c1OCC(=O)N(C)[C@H](C)c1ccccc1 ZINC000822129668 606616339 /nfs/dbraw/zinc/61/63/39/606616339.db2.gz NFEFEKZKFFVIRZ-OAHLLOKOSA-N -1 3 365.437 3.082 20 0 FGADHM c1ccc2c(c1)ccnc2-c1noc(Cc2cccc(-c3nnn[n-]3)c2)n1 ZINC000823752330 606620278 /nfs/dbraw/zinc/62/02/78/606620278.db2.gz XUGOASASUUDAIT-UHFFFAOYSA-N -1 3 355.361 3.056 20 0 FGADHM c1ccc2c(c1)ccnc2-c1noc(Cc2cccc(-c3nn[n-]n3)c2)n1 ZINC000823752330 606620279 /nfs/dbraw/zinc/62/02/79/606620279.db2.gz XUGOASASUUDAIT-UHFFFAOYSA-N -1 3 355.361 3.056 20 0 FGADHM CC(=CC(=O)NCc1cccc(-c2nnn[n-]2)c1)c1cccc(Cl)c1 ZINC000819763750 606626046 /nfs/dbraw/zinc/62/60/46/606626046.db2.gz CFBHMZNYKBALKD-XYOKQWHBSA-N -1 3 353.813 3.240 20 0 FGADHM CC(=CC(=O)NCc1cccc(-c2nn[n-]n2)c1)c1cccc(Cl)c1 ZINC000819763750 606626048 /nfs/dbraw/zinc/62/60/48/606626048.db2.gz CFBHMZNYKBALKD-XYOKQWHBSA-N -1 3 353.813 3.240 20 0 FGADHM O=C(c1ccc(-c2nnn[n-]2)cn1)N1CCCCC[C@H]1/C=C/c1ccccc1 ZINC000823478742 606626311 /nfs/dbraw/zinc/62/63/11/606626311.db2.gz QQKIAPHSYJEKFV-KSEUIEODSA-N -1 3 374.448 3.360 20 0 FGADHM O=C(c1ccc(-c2nn[n-]n2)cn1)N1CCCCC[C@H]1/C=C/c1ccccc1 ZINC000823478742 606626312 /nfs/dbraw/zinc/62/63/12/606626312.db2.gz QQKIAPHSYJEKFV-KSEUIEODSA-N -1 3 374.448 3.360 20 0 FGADHM Cc1cccnc1C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000822369180 606628270 /nfs/dbraw/zinc/62/82/70/606628270.db2.gz CNURKNRDWADSAC-UHFFFAOYSA-N -1 3 373.376 3.010 20 0 FGADHM O=C(CSc1ccc(Cl)cc1-c1nnn[n-]1)NCC1CCCCC1 ZINC000823065767 606629580 /nfs/dbraw/zinc/62/95/80/606629580.db2.gz BESWAXOXKZKEOX-UHFFFAOYSA-N -1 3 365.890 3.309 20 0 FGADHM O=C(CSc1ccc(Cl)cc1-c1nn[n-]n1)NCC1CCCCC1 ZINC000823065767 606629582 /nfs/dbraw/zinc/62/95/82/606629582.db2.gz BESWAXOXKZKEOX-UHFFFAOYSA-N -1 3 365.890 3.309 20 0 FGADHM COc1ccc([C@@H](C)CC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000821778107 606631730 /nfs/dbraw/zinc/63/17/30/606631730.db2.gz UKDTVKJBSOEMHY-NSHDSACASA-N -1 3 355.373 3.147 20 0 FGADHM COc1ccc([C@@H](C)CC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000821778107 606631732 /nfs/dbraw/zinc/63/17/32/606631732.db2.gz UKDTVKJBSOEMHY-NSHDSACASA-N -1 3 355.373 3.147 20 0 FGADHM C[C@H](NC(=O)/C=C\SCc1ccco1)c1cccc(-c2nnn[n-]2)c1 ZINC000820321032 606636406 /nfs/dbraw/zinc/63/64/06/606636406.db2.gz BJZBCWBRVGUMTR-UPZNUWHASA-N -1 3 355.423 3.084 20 0 FGADHM C[C@H](NC(=O)/C=C\SCc1ccco1)c1cccc(-c2nn[n-]n2)c1 ZINC000820321032 606636407 /nfs/dbraw/zinc/63/64/07/606636407.db2.gz BJZBCWBRVGUMTR-UPZNUWHASA-N -1 3 355.423 3.084 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N(CC(C)C)C1CCCC1 ZINC000821756458 606658376 /nfs/dbraw/zinc/65/83/76/606658376.db2.gz PAHFONQBRBUBDV-UHFFFAOYSA-N -1 3 358.446 3.308 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N(CC(C)C)C1CCCC1 ZINC000821756458 606658377 /nfs/dbraw/zinc/65/83/77/606658377.db2.gz PAHFONQBRBUBDV-UHFFFAOYSA-N -1 3 358.446 3.308 20 0 FGADHM O=C(c1ccc(-c2nnn[n-]2)cc1)N1CCCCC[C@H]1[C@@H]1CCCCC1=O ZINC000823526054 606659465 /nfs/dbraw/zinc/65/94/65/606659465.db2.gz YFOPHRJJOSBCSF-IRXDYDNUSA-N -1 3 367.453 3.011 20 0 FGADHM O=C(c1ccc(-c2nn[n-]n2)cc1)N1CCCCC[C@H]1[C@@H]1CCCCC1=O ZINC000823526054 606659466 /nfs/dbraw/zinc/65/94/66/606659466.db2.gz YFOPHRJJOSBCSF-IRXDYDNUSA-N -1 3 367.453 3.011 20 0 FGADHM O=C(C[C@H]1CCCCO1)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000822941514 606664635 /nfs/dbraw/zinc/66/46/35/606664635.db2.gz YGIITOKSUGXPFT-LLVKDONJSA-N -1 3 361.471 3.095 20 0 FGADHM O=C(C[C@H]1CCCCO1)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000822941514 606664636 /nfs/dbraw/zinc/66/46/36/606664636.db2.gz YGIITOKSUGXPFT-LLVKDONJSA-N -1 3 361.471 3.095 20 0 FGADHM COc1c(F)ccc(F)c1C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000821698802 606665348 /nfs/dbraw/zinc/66/53/48/606665348.db2.gz ZHFTZVFGGNHGFU-UHFFFAOYSA-N -1 3 365.727 3.059 20 0 FGADHM COc1c(F)ccc(F)c1C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000821698802 606665349 /nfs/dbraw/zinc/66/53/49/606665349.db2.gz ZHFTZVFGGNHGFU-UHFFFAOYSA-N -1 3 365.727 3.059 20 0 FGADHM C[C@@H](c1ccc(F)cc1)N(C)C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820561959 606667768 /nfs/dbraw/zinc/66/77/68/606667768.db2.gz CEHBLIPMRIEUOD-VIFPVBQESA-N -1 3 361.327 3.117 20 0 FGADHM C[C@@H](c1ccc(F)cc1)N(C)C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820561959 606667769 /nfs/dbraw/zinc/66/77/69/606667769.db2.gz CEHBLIPMRIEUOD-VIFPVBQESA-N -1 3 361.327 3.117 20 0 FGADHM CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000819908248 606669258 /nfs/dbraw/zinc/66/92/58/606669258.db2.gz YELKYAZMEHQRJJ-SMDDNHRTSA-N -1 3 363.412 3.480 20 0 FGADHM CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000819908248 606669259 /nfs/dbraw/zinc/66/92/59/606669259.db2.gz YELKYAZMEHQRJJ-SMDDNHRTSA-N -1 3 363.412 3.480 20 0 FGADHM Cc1cc(C)c(CCNC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c(C)c1 ZINC000822194430 606672072 /nfs/dbraw/zinc/67/20/72/606672072.db2.gz XBCNXXMWCNBXCN-UHFFFAOYSA-N -1 3 371.391 3.043 20 0 FGADHM Cc1cc(C)c(CCNC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c(C)c1 ZINC000822194430 606672073 /nfs/dbraw/zinc/67/20/73/606672073.db2.gz XBCNXXMWCNBXCN-UHFFFAOYSA-N -1 3 371.391 3.043 20 0 FGADHM CCOc1cccc([C@H](C)NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c1 ZINC000821427435 606675183 /nfs/dbraw/zinc/67/51/83/606675183.db2.gz SQKJYZJRMYHCBA-JTQLQIEISA-N -1 3 373.363 3.035 20 0 FGADHM CCOc1cccc([C@H](C)NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c1 ZINC000821427435 606675184 /nfs/dbraw/zinc/67/51/84/606675184.db2.gz SQKJYZJRMYHCBA-JTQLQIEISA-N -1 3 373.363 3.035 20 0 FGADHM Cc1cc(C)cc([C@@H](C)NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c1 ZINC000822196872 606678368 /nfs/dbraw/zinc/67/83/68/606678368.db2.gz ZMAVZSGVAWNYFG-LLVKDONJSA-N -1 3 357.364 3.253 20 0 FGADHM Cc1cc(C)cc([C@@H](C)NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c1 ZINC000822196872 606678369 /nfs/dbraw/zinc/67/83/69/606678369.db2.gz ZMAVZSGVAWNYFG-LLVKDONJSA-N -1 3 357.364 3.253 20 0 FGADHM CN(Cc1cc2ccccc2o1)C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821608587 606684362 /nfs/dbraw/zinc/68/43/62/606684362.db2.gz NCFWAKOMIFOYTO-UHFFFAOYSA-N -1 3 369.331 3.163 20 0 FGADHM CN(Cc1cc2ccccc2o1)C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821608587 606684363 /nfs/dbraw/zinc/68/43/63/606684363.db2.gz NCFWAKOMIFOYTO-UHFFFAOYSA-N -1 3 369.331 3.163 20 0 FGADHM Cn1cc(CCC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)c2ccccc21 ZINC000822679573 606685956 /nfs/dbraw/zinc/68/59/56/606685956.db2.gz GWCNYDCIUIEWLI-UHFFFAOYSA-N -1 3 364.384 3.069 20 0 FGADHM Cn1cc(CCC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)c2ccccc21 ZINC000822679573 606685957 /nfs/dbraw/zinc/68/59/57/606685957.db2.gz GWCNYDCIUIEWLI-UHFFFAOYSA-N -1 3 364.384 3.069 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)Cc1cccc(F)c1F ZINC000821123792 606697451 /nfs/dbraw/zinc/69/74/51/606697451.db2.gz ZCRFGXMEKUGCDR-UHFFFAOYSA-N -1 3 372.379 3.148 20 0 FGADHM CCCc1ccccc1NCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000821142331 606698147 /nfs/dbraw/zinc/69/81/47/606698147.db2.gz GUJCJBAACKDGOJ-UHFFFAOYSA-N -1 3 361.409 3.481 20 0 FGADHM CCCc1ccccc1NCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000821142331 606698149 /nfs/dbraw/zinc/69/81/49/606698149.db2.gz GUJCJBAACKDGOJ-UHFFFAOYSA-N -1 3 361.409 3.481 20 0 FGADHM O=C(Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1)c1cc[nH]c(=O)c1 ZINC000823350552 606701792 /nfs/dbraw/zinc/70/17/92/606701792.db2.gz RCVJPJREWBWBHX-UHFFFAOYSA-N -1 3 374.360 3.012 20 0 FGADHM O=C(Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)c1cc[nH]c(=O)c1 ZINC000823350552 606701794 /nfs/dbraw/zinc/70/17/94/606701794.db2.gz RCVJPJREWBWBHX-UHFFFAOYSA-N -1 3 374.360 3.012 20 0 FGADHM COCC[C@H](C)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000821685353 606712710 /nfs/dbraw/zinc/71/27/10/606712710.db2.gz AQJFBLRORCLFQD-ZDUSSCGKSA-N -1 3 371.416 3.422 20 0 FGADHM COCC[C@H](C)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000821685353 606712711 /nfs/dbraw/zinc/71/27/11/606712711.db2.gz AQJFBLRORCLFQD-ZDUSSCGKSA-N -1 3 371.416 3.422 20 0 FGADHM CN(C(=O)NCc1ccc(-c2nnn[n-]2)cc1F)C1CCC(C)(C)CC1 ZINC000821572149 606715133 /nfs/dbraw/zinc/71/51/33/606715133.db2.gz SVUGJFCQVVSTFL-UHFFFAOYSA-N -1 3 360.437 3.116 20 0 FGADHM CN(C(=O)NCc1ccc(-c2nn[n-]n2)cc1F)C1CCC(C)(C)CC1 ZINC000821572149 606715134 /nfs/dbraw/zinc/71/51/34/606715134.db2.gz SVUGJFCQVVSTFL-UHFFFAOYSA-N -1 3 360.437 3.116 20 0 FGADHM COCCC1(CNc2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)CCC1 ZINC000821687139 606723316 /nfs/dbraw/zinc/72/33/16/606723316.db2.gz QGRZJZMDQBHTNF-UHFFFAOYSA-N -1 3 372.860 3.109 20 0 FGADHM COCCC1(CNc2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)CCC1 ZINC000821687139 606723317 /nfs/dbraw/zinc/72/33/17/606723317.db2.gz QGRZJZMDQBHTNF-UHFFFAOYSA-N -1 3 372.860 3.109 20 0 FGADHM C[C@H](Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cn(-c2ccccc2)nn1 ZINC000820455564 606728446 /nfs/dbraw/zinc/72/84/46/606728446.db2.gz JXHQYNYILBPZOU-NSHDSACASA-N -1 3 366.816 3.274 20 0 FGADHM C[C@H](Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cn(-c2ccccc2)nn1 ZINC000820455564 606728448 /nfs/dbraw/zinc/72/84/48/606728448.db2.gz JXHQYNYILBPZOU-NSHDSACASA-N -1 3 366.816 3.274 20 0 FGADHM CC[C@@H](OC1CCCCC1)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820939284 606734262 /nfs/dbraw/zinc/73/42/62/606734262.db2.gz SOMRVMXDPMZXQW-CXAGYDPISA-N -1 3 357.458 3.172 20 0 FGADHM CC[C@@H](OC1CCCCC1)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820939284 606734263 /nfs/dbraw/zinc/73/42/63/606734263.db2.gz SOMRVMXDPMZXQW-CXAGYDPISA-N -1 3 357.458 3.172 20 0 FGADHM CC(C)Oc1ccccc1COC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820178028 606754908 /nfs/dbraw/zinc/75/49/08/606754908.db2.gz FDSASDGKUJPVKW-UHFFFAOYSA-N -1 3 374.347 3.289 20 0 FGADHM CC(C)Oc1ccccc1COC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820178028 606754910 /nfs/dbraw/zinc/75/49/10/606754910.db2.gz FDSASDGKUJPVKW-UHFFFAOYSA-N -1 3 374.347 3.289 20 0 FGADHM CC[C@@H]1CCC[C@H]1NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820981249 606764623 /nfs/dbraw/zinc/76/46/23/606764623.db2.gz PXHGYNLZXDKWNQ-NOZJJQNGSA-N -1 3 350.879 3.385 20 0 FGADHM CC[C@@H]1CCC[C@H]1NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820981249 606764624 /nfs/dbraw/zinc/76/46/24/606764624.db2.gz PXHGYNLZXDKWNQ-NOZJJQNGSA-N -1 3 350.879 3.385 20 0 FGADHM S=C(Nc1ccccc1-c1nnn[n-]1)N1CCc2c1cccc2Cl ZINC000823733547 606766235 /nfs/dbraw/zinc/76/62/35/606766235.db2.gz YOFOCWQFRGAFBP-UHFFFAOYSA-N -1 3 356.842 3.280 20 0 FGADHM S=C(Nc1ccccc1-c1nn[n-]n1)N1CCc2c1cccc2Cl ZINC000823733547 606766237 /nfs/dbraw/zinc/76/62/37/606766237.db2.gz YOFOCWQFRGAFBP-UHFFFAOYSA-N -1 3 356.842 3.280 20 0 FGADHM Cc1nc(CC(C)C)c(NC(=O)NCc2cccc(-c3nnn[n-]3)c2)s1 ZINC000822436392 606772104 /nfs/dbraw/zinc/77/21/04/606772104.db2.gz KWIROVXYBDLKNL-UHFFFAOYSA-N -1 3 371.470 3.152 20 0 FGADHM Cc1nc(CC(C)C)c(NC(=O)NCc2cccc(-c3nn[n-]n3)c2)s1 ZINC000822436392 606772105 /nfs/dbraw/zinc/77/21/05/606772105.db2.gz KWIROVXYBDLKNL-UHFFFAOYSA-N -1 3 371.470 3.152 20 0 FGADHM C[C@](O)(c1ccc(OCc2ccc(-c3nnn[n-]3)cc2)cc1)C(F)(F)F ZINC000820468779 606773430 /nfs/dbraw/zinc/77/34/30/606773430.db2.gz WEWLFWWLRLJUOL-INIZCTEOSA-N -1 3 364.327 3.216 20 0 FGADHM C[C@](O)(c1ccc(OCc2ccc(-c3nn[n-]n3)cc2)cc1)C(F)(F)F ZINC000820468779 606773432 /nfs/dbraw/zinc/77/34/32/606773432.db2.gz WEWLFWWLRLJUOL-INIZCTEOSA-N -1 3 364.327 3.216 20 0 FGADHM C[C@H](c1ccccc1)N(C)C(=O)COc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000820562325 606779993 /nfs/dbraw/zinc/77/99/93/606779993.db2.gz FKIJAFBXRUTQKH-GFCCVEGCSA-N -1 3 371.828 3.119 20 0 FGADHM C[C@H](c1ccccc1)N(C)C(=O)COc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000820562325 606779995 /nfs/dbraw/zinc/77/99/95/606779995.db2.gz FKIJAFBXRUTQKH-GFCCVEGCSA-N -1 3 371.828 3.119 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)NC[C@H]2C[C@@H]2C)cc1 ZINC000822144764 606786224 /nfs/dbraw/zinc/78/62/24/606786224.db2.gz NPBSBTAYBIQGSK-BLLLJJGKSA-N -1 3 363.421 3.353 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)NC[C@H]2C[C@@H]2C)cc1 ZINC000822144764 606786226 /nfs/dbraw/zinc/78/62/26/606786226.db2.gz NPBSBTAYBIQGSK-BLLLJJGKSA-N -1 3 363.421 3.353 20 0 FGADHM C[C@@H](Sc1ncc(C(C)(C)C)o1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000820554974 606786674 /nfs/dbraw/zinc/78/66/74/606786674.db2.gz CNGQULKBXVYXQW-SNVBAGLBSA-N -1 3 372.454 3.272 20 0 FGADHM C[C@@H](Sc1ncc(C(C)(C)C)o1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000820554974 606786676 /nfs/dbraw/zinc/78/66/76/606786676.db2.gz CNGQULKBXVYXQW-SNVBAGLBSA-N -1 3 372.454 3.272 20 0 FGADHM CCCC[C@@H](NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F)C1CCC1 ZINC000821042452 606795018 /nfs/dbraw/zinc/79/50/18/606795018.db2.gz BAIWBCZVGUDFTH-MRXNPFEDSA-N -1 3 360.437 3.164 20 0 FGADHM CCCC[C@@H](NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F)C1CCC1 ZINC000821042452 606795020 /nfs/dbraw/zinc/79/50/20/606795020.db2.gz BAIWBCZVGUDFTH-MRXNPFEDSA-N -1 3 360.437 3.164 20 0 FGADHM Cc1ccc(OC(F)F)c(CNc2nc(C)cc(C)c2-c2nnn[n-]2)c1 ZINC000822263714 606799583 /nfs/dbraw/zinc/79/95/83/606799583.db2.gz XYAWQMXXQFLSNQ-UHFFFAOYSA-N -1 3 360.368 3.400 20 0 FGADHM Cc1ccc(OC(F)F)c(CNc2nc(C)cc(C)c2-c2nn[n-]n2)c1 ZINC000822263714 606799585 /nfs/dbraw/zinc/79/95/85/606799585.db2.gz XYAWQMXXQFLSNQ-UHFFFAOYSA-N -1 3 360.368 3.400 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cccc(C(C)C)n1 ZINC000821411854 606800298 /nfs/dbraw/zinc/80/02/98/606800298.db2.gz CCDXEJXOMYCFKO-UHFFFAOYSA-N -1 3 352.398 3.036 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cccc(C(C)C)n1 ZINC000821411854 606800301 /nfs/dbraw/zinc/80/03/01/606800301.db2.gz CCDXEJXOMYCFKO-UHFFFAOYSA-N -1 3 352.398 3.036 20 0 FGADHM Cc1ccc(Cl)c(NC(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822240082 606807826 /nfs/dbraw/zinc/80/78/26/606807826.db2.gz RKMZSATUZXEJAR-NSHDSACASA-N -1 3 357.801 3.235 20 0 FGADHM CN(c1nc(COc2cc(Cl)ccc2-c2nnn[n-]2)cs1)C1CC1 ZINC000821618968 606822195 /nfs/dbraw/zinc/82/21/95/606822195.db2.gz DAFZLJHABTTZBS-UHFFFAOYSA-N -1 3 362.846 3.154 20 0 FGADHM CN(c1nc(COc2cc(Cl)ccc2-c2nn[n-]n2)cs1)C1CC1 ZINC000821618968 606822196 /nfs/dbraw/zinc/82/21/96/606822196.db2.gz DAFZLJHABTTZBS-UHFFFAOYSA-N -1 3 362.846 3.154 20 0 FGADHM Cc1c2nc(NC(=O)c3cc(-c4nnn[n-]4)cs3)sc2ccc1F ZINC000822035137 606833082 /nfs/dbraw/zinc/83/30/82/606833082.db2.gz QVMOPXGAPVRXMP-UHFFFAOYSA-N -1 3 360.399 3.238 20 0 FGADHM Cc1c2nc(NC(=O)c3cc(-c4nn[n-]n4)cs3)sc2ccc1F ZINC000822035137 606833084 /nfs/dbraw/zinc/83/30/84/606833084.db2.gz QVMOPXGAPVRXMP-UHFFFAOYSA-N -1 3 360.399 3.238 20 0 FGADHM CCc1c(C)sc(NC(=O)c2ccc(F)c(F)c2F)c1-c1nnn[n-]1 ZINC000821465072 606849606 /nfs/dbraw/zinc/84/96/06/606849606.db2.gz ASTFFMNOGCLOKC-UHFFFAOYSA-N -1 3 367.356 3.469 20 0 FGADHM CCc1c(C)sc(NC(=O)c2ccc(F)c(F)c2F)c1-c1nn[n-]n1 ZINC000821465072 606849608 /nfs/dbraw/zinc/84/96/08/606849608.db2.gz ASTFFMNOGCLOKC-UHFFFAOYSA-N -1 3 367.356 3.469 20 0 FGADHM CC(C)(C)c1nnc(CSc2ccc(-c3nnn[n-]3)cc2Cl)o1 ZINC000819971156 606853130 /nfs/dbraw/zinc/85/31/30/606853130.db2.gz DVLFRBKZVFMSKK-UHFFFAOYSA-N -1 3 350.835 3.493 20 0 FGADHM CC(C)(C)c1nnc(CSc2ccc(-c3nn[n-]n3)cc2Cl)o1 ZINC000819971156 606853132 /nfs/dbraw/zinc/85/31/32/606853132.db2.gz DVLFRBKZVFMSKK-UHFFFAOYSA-N -1 3 350.835 3.493 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C1(Cc2ccccc2)CCC1 ZINC000821755763 606864379 /nfs/dbraw/zinc/86/43/79/606864379.db2.gz JLZCIQYGIDCSJA-UHFFFAOYSA-N -1 3 363.421 3.227 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C1(Cc2ccccc2)CCC1 ZINC000821755763 606864381 /nfs/dbraw/zinc/86/43/81/606864381.db2.gz JLZCIQYGIDCSJA-UHFFFAOYSA-N -1 3 363.421 3.227 20 0 FGADHM COc1cc(F)c(NCCCOc2cccc(-c3nnn[n-]3)c2)cc1F ZINC000821720575 606865350 /nfs/dbraw/zinc/86/53/50/606865350.db2.gz VLBKXFDNFGJRMR-UHFFFAOYSA-N -1 3 361.352 3.035 20 0 FGADHM COc1cc(F)c(NCCCOc2cccc(-c3nn[n-]n3)c2)cc1F ZINC000821720575 606865351 /nfs/dbraw/zinc/86/53/51/606865351.db2.gz VLBKXFDNFGJRMR-UHFFFAOYSA-N -1 3 361.352 3.035 20 0 FGADHM CC(C)C[C@H]1CCCCN1C(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000820062443 606880433 /nfs/dbraw/zinc/88/04/33/606880433.db2.gz MCRYOZNMTLGYJW-LSDHHAIUSA-N -1 3 357.458 3.061 20 0 FGADHM CC(C)C[C@H]1CCCCN1C(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000820062443 606880434 /nfs/dbraw/zinc/88/04/34/606880434.db2.gz MCRYOZNMTLGYJW-LSDHHAIUSA-N -1 3 357.458 3.061 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(F)c(OC)c1 ZINC000821123415 606899812 /nfs/dbraw/zinc/89/98/12/606899812.db2.gz RBXVZKKSEYALCR-UHFFFAOYSA-N -1 3 370.388 3.089 20 0 FGADHM O=C(Nc1cc(Cl)ccc1NC1CC1)c1cc(-c2nnn[n-]2)cs1 ZINC000823299011 606908801 /nfs/dbraw/zinc/90/88/01/606908801.db2.gz CRAHLBDASPDJLO-UHFFFAOYSA-N -1 3 360.830 3.408 20 0 FGADHM O=C(Nc1cc(Cl)ccc1NC1CC1)c1cc(-c2nn[n-]n2)cs1 ZINC000823299011 606908803 /nfs/dbraw/zinc/90/88/03/606908803.db2.gz CRAHLBDASPDJLO-UHFFFAOYSA-N -1 3 360.830 3.408 20 0 FGADHM Cc1ncc(CN(C)c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)s1 ZINC000822467688 606923196 /nfs/dbraw/zinc/92/31/96/606923196.db2.gz RLSOEIXTVNVAKK-UHFFFAOYSA-N -1 3 354.361 3.287 20 0 FGADHM Cc1ncc(CN(C)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)s1 ZINC000822467688 606923198 /nfs/dbraw/zinc/92/31/98/606923198.db2.gz RLSOEIXTVNVAKK-UHFFFAOYSA-N -1 3 354.361 3.287 20 0 FGADHM CCc1nnc(N2CC[C@@H](c3ccccc3C)C2)c(-c2nnn[n-]2)c1CC ZINC000821521047 606928776 /nfs/dbraw/zinc/92/87/76/606928776.db2.gz DRUOUAXLFKFBGN-CQSZACIVSA-N -1 3 363.469 3.084 20 0 FGADHM CCc1nnc(N2CC[C@@H](c3ccccc3C)C2)c(-c2nn[n-]n2)c1CC ZINC000821521047 606928777 /nfs/dbraw/zinc/92/87/77/606928777.db2.gz DRUOUAXLFKFBGN-CQSZACIVSA-N -1 3 363.469 3.084 20 0 FGADHM C[C@@H]1Sc2ccccc2N(C[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)[C@H]1C ZINC000820819766 606929650 /nfs/dbraw/zinc/92/96/50/606929650.db2.gz KNUIBILTPWQWIL-GDZNZVCISA-N -1 3 367.478 3.289 20 0 FGADHM C[C@@H]1Sc2ccccc2N(C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)[C@H]1C ZINC000820819766 606929651 /nfs/dbraw/zinc/92/96/51/606929651.db2.gz KNUIBILTPWQWIL-GDZNZVCISA-N -1 3 367.478 3.289 20 0 FGADHM Fc1ccc(CN[C@@H](c2nccs2)c2ccccc2)cc1-c1nnn[n-]1 ZINC000822772251 606930172 /nfs/dbraw/zinc/93/01/72/606930172.db2.gz USMNQTJXBMOEOZ-MRXNPFEDSA-N -1 3 366.425 3.342 20 0 FGADHM Fc1ccc(CN[C@@H](c2nccs2)c2ccccc2)cc1-c1nn[n-]n1 ZINC000822772251 606930174 /nfs/dbraw/zinc/93/01/74/606930174.db2.gz USMNQTJXBMOEOZ-MRXNPFEDSA-N -1 3 366.425 3.342 20 0 FGADHM CCc1nnc(NC[C@@H]2CCCO[C@H]2C(C)(C)C)c(-c2nnn[n-]2)c1CC ZINC000821534653 606937066 /nfs/dbraw/zinc/93/70/66/606937066.db2.gz BPZHMUFYQVKAHU-BLLLJJGKSA-N -1 3 373.505 3.035 20 0 FGADHM CCc1nnc(NC[C@@H]2CCCO[C@H]2C(C)(C)C)c(-c2nn[n-]n2)c1CC ZINC000821534653 606937067 /nfs/dbraw/zinc/93/70/67/606937067.db2.gz BPZHMUFYQVKAHU-BLLLJJGKSA-N -1 3 373.505 3.035 20 0 FGADHM Cc1coc(-c2cc(NC(=O)c3cccc(-c4nnn[n-]4)c3)ccc2C)n1 ZINC000822403778 606938548 /nfs/dbraw/zinc/93/85/48/606938548.db2.gz UMTPRLYKEHWJQF-UHFFFAOYSA-N -1 3 360.377 3.391 20 0 FGADHM Cc1coc(-c2cc(NC(=O)c3cccc(-c4nn[n-]n4)c3)ccc2C)n1 ZINC000822403778 606938549 /nfs/dbraw/zinc/93/85/49/606938549.db2.gz UMTPRLYKEHWJQF-UHFFFAOYSA-N -1 3 360.377 3.391 20 0 FGADHM CC(C)(CNc1nc2ccccc2cc1-c1nnn[n-]1)[C@H]1CCCCO1 ZINC000819983763 606947230 /nfs/dbraw/zinc/94/72/30/606947230.db2.gz FHDVHFJWGLIPIX-MRXNPFEDSA-N -1 3 352.442 3.422 20 0 FGADHM CC(C)(CNc1nc2ccccc2cc1-c1nn[n-]n1)[C@H]1CCCCO1 ZINC000819983763 606947232 /nfs/dbraw/zinc/94/72/32/606947232.db2.gz FHDVHFJWGLIPIX-MRXNPFEDSA-N -1 3 352.442 3.422 20 0 FGADHM Cn1ccc(C(=O)OCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)c1 ZINC000822689198 606954276 /nfs/dbraw/zinc/95/42/76/606954276.db2.gz IDQDFVJLNPMNED-UHFFFAOYSA-N -1 3 359.389 3.229 20 0 FGADHM Cn1ccc(C(=O)OCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)c1 ZINC000822689198 606954277 /nfs/dbraw/zinc/95/42/77/606954277.db2.gz IDQDFVJLNPMNED-UHFFFAOYSA-N -1 3 359.389 3.229 20 0 FGADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCC2)c1cccc(Cl)c1F ZINC000823387212 606956579 /nfs/dbraw/zinc/95/65/79/606956579.db2.gz FRQMZZGWEGIYSK-UHFFFAOYSA-N -1 3 363.805 3.462 20 0 FGADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCC2)c1cccc(Cl)c1F ZINC000823387212 606956581 /nfs/dbraw/zinc/95/65/81/606956581.db2.gz FRQMZZGWEGIYSK-UHFFFAOYSA-N -1 3 363.805 3.462 20 0 FGADHM CN(C(=O)c1ccc2ncccc2c1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821574669 606961734 /nfs/dbraw/zinc/96/17/34/606961734.db2.gz RDGZZAXHCNOSPG-UHFFFAOYSA-N -1 3 364.796 3.345 20 0 FGADHM CN(C(=O)c1ccc2ncccc2c1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821574669 606961735 /nfs/dbraw/zinc/96/17/35/606961735.db2.gz RDGZZAXHCNOSPG-UHFFFAOYSA-N -1 3 364.796 3.345 20 0 FGADHM COc1cccc([C@@H](C)C(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)c1 ZINC000821858050 606963293 /nfs/dbraw/zinc/96/32/93/606963293.db2.gz CPSGEOJTKQJHBP-LLVKDONJSA-N -1 3 371.828 3.295 20 0 FGADHM COc1cccc([C@@H](C)C(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)c1 ZINC000821858050 606963294 /nfs/dbraw/zinc/96/32/94/606963294.db2.gz CPSGEOJTKQJHBP-LLVKDONJSA-N -1 3 371.828 3.295 20 0 FGADHM CN(C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821569170 606963961 /nfs/dbraw/zinc/96/39/61/606963961.db2.gz AYCICDLGWRIMHV-HUUCEWRRSA-N -1 3 371.803 3.426 20 0 FGADHM CN(C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821569170 606963963 /nfs/dbraw/zinc/96/39/63/606963963.db2.gz AYCICDLGWRIMHV-HUUCEWRRSA-N -1 3 371.803 3.426 20 0 FGADHM Cc1ccccc1CCC(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000822356441 606965560 /nfs/dbraw/zinc/96/55/60/606965560.db2.gz SRIYVSOZVNFYNV-UHFFFAOYSA-N -1 3 355.829 3.424 20 0 FGADHM Cc1ccccc1CCC(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000822356441 606965561 /nfs/dbraw/zinc/96/55/61/606965561.db2.gz SRIYVSOZVNFYNV-UHFFFAOYSA-N -1 3 355.829 3.424 20 0 FGADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N[C@H](c1ccc(F)cc1F)C(C)(C)C ZINC000822632058 606967051 /nfs/dbraw/zinc/96/70/51/606967051.db2.gz PJPHKUBLNYYMMI-OAHLLOKOSA-N -1 3 374.395 3.001 20 0 FGADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N[C@H](c1ccc(F)cc1F)C(C)(C)C ZINC000822632058 606967053 /nfs/dbraw/zinc/96/70/53/606967053.db2.gz PJPHKUBLNYYMMI-OAHLLOKOSA-N -1 3 374.395 3.001 20 0 FGADHM Cc1ccc(C)c(NC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822231649 606975585 /nfs/dbraw/zinc/97/55/85/606975585.db2.gz BQBRBFSPSHCAFZ-UHFFFAOYSA-N -1 3 351.410 3.280 20 0 FGADHM Cc1ccc(C)c(NC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822231649 606975586 /nfs/dbraw/zinc/97/55/86/606975586.db2.gz BQBRBFSPSHCAFZ-UHFFFAOYSA-N -1 3 351.410 3.280 20 0 FGADHM Cc1cc(C)cc(NC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822196491 606979028 /nfs/dbraw/zinc/97/90/28/606979028.db2.gz LFPVZURXZCLLTR-UHFFFAOYSA-N -1 3 351.410 3.280 20 0 FGADHM Cc1cc(C)cc(NC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822196491 606979029 /nfs/dbraw/zinc/97/90/29/606979029.db2.gz LFPVZURXZCLLTR-UHFFFAOYSA-N -1 3 351.410 3.280 20 0 FGADHM COc1ccc(CNC(=S)Nc2ccccc2-c2nnn[n-]2)cc1Cl ZINC000821798836 606979048 /nfs/dbraw/zinc/97/90/48/606979048.db2.gz PHCRMHHVDFYCBU-UHFFFAOYSA-N -1 3 374.857 3.015 20 0 FGADHM COc1ccc(CNC(=S)Nc2ccccc2-c2nn[n-]n2)cc1Cl ZINC000821798836 606979049 /nfs/dbraw/zinc/97/90/49/606979049.db2.gz PHCRMHHVDFYCBU-UHFFFAOYSA-N -1 3 374.857 3.015 20 0 FGADHM CCC[C@H](NC(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1F ZINC000821020515 606981933 /nfs/dbraw/zinc/98/19/33/606981933.db2.gz CQFBMFSZEDGJFR-KRWDZBQOSA-N -1 3 371.391 3.345 20 0 FGADHM CCC[C@H](NC(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1F ZINC000821020515 606981934 /nfs/dbraw/zinc/98/19/34/606981934.db2.gz CQFBMFSZEDGJFR-KRWDZBQOSA-N -1 3 371.391 3.345 20 0 FGADHM COc1ccc(C(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000821772495 606998488 /nfs/dbraw/zinc/99/84/88/606998488.db2.gz BVUHXGWVEDIWQX-UHFFFAOYSA-N -1 3 362.748 3.025 20 0 FGADHM COc1ccc(C(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000821772495 606998489 /nfs/dbraw/zinc/99/84/89/606998489.db2.gz BVUHXGWVEDIWQX-UHFFFAOYSA-N -1 3 362.748 3.025 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)C1(Cc2ccccc2)CC1 ZINC000823421888 607004566 /nfs/dbraw/zinc/00/45/66/607004566.db2.gz JNXWBQAZRQDFLQ-UHFFFAOYSA-N -1 3 352.369 3.072 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)C1(Cc2ccccc2)CC1 ZINC000823421888 607004567 /nfs/dbraw/zinc/00/45/67/607004567.db2.gz JNXWBQAZRQDFLQ-UHFFFAOYSA-N -1 3 352.369 3.072 20 0 FGADHM CCn1c(SCc2ccc(F)c(-c3nnn[n-]3)c2)nnc1-c1ccco1 ZINC000821565342 607004765 /nfs/dbraw/zinc/00/47/65/607004765.db2.gz ONPSOSBHCKCIMQ-UHFFFAOYSA-N -1 3 371.401 3.170 20 0 FGADHM CCn1c(SCc2ccc(F)c(-c3nn[n-]n3)c2)nnc1-c1ccco1 ZINC000821565342 607004766 /nfs/dbraw/zinc/00/47/66/607004766.db2.gz ONPSOSBHCKCIMQ-UHFFFAOYSA-N -1 3 371.401 3.170 20 0 FGADHM Cn1c(SCc2ccc(F)c(-c3nnn[n-]3)c2)nnc1-c1ccccc1 ZINC000822604952 607005397 /nfs/dbraw/zinc/00/53/97/607005397.db2.gz RPRBQQHXXIJRNU-UHFFFAOYSA-N -1 3 367.413 3.094 20 0 FGADHM Cn1c(SCc2ccc(F)c(-c3nn[n-]n3)c2)nnc1-c1ccccc1 ZINC000822604952 607005399 /nfs/dbraw/zinc/00/53/99/607005399.db2.gz RPRBQQHXXIJRNU-UHFFFAOYSA-N -1 3 367.413 3.094 20 0 FGADHM CC(C)[C@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)N1CCC[C@@H](C)C1 ZINC000820706385 607013237 /nfs/dbraw/zinc/01/32/37/607013237.db2.gz ZKFIYEUZJWQFHC-CJNGLKHVSA-N -1 3 359.499 3.242 20 0 FGADHM CC(C)[C@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)N1CCC[C@@H](C)C1 ZINC000820706385 607013238 /nfs/dbraw/zinc/01/32/38/607013238.db2.gz ZKFIYEUZJWQFHC-CJNGLKHVSA-N -1 3 359.499 3.242 20 0 FGADHM CC1(C)Cc2cc(NC(=S)Nc3ccccc3-c3nnn[n-]3)ccc2O1 ZINC000820607402 607022984 /nfs/dbraw/zinc/02/29/84/607022984.db2.gz SYYALUNBKQKBQE-UHFFFAOYSA-N -1 3 366.450 3.389 20 0 FGADHM CC1(C)Cc2cc(NC(=S)Nc3ccccc3-c3nn[n-]n3)ccc2O1 ZINC000820607402 607022985 /nfs/dbraw/zinc/02/29/85/607022985.db2.gz SYYALUNBKQKBQE-UHFFFAOYSA-N -1 3 366.450 3.389 20 0 FGADHM Cc1ccc(NC(=O)c2sccc2-c2nnn[n-]2)cc1-c1ncco1 ZINC000822255062 607028400 /nfs/dbraw/zinc/02/84/00/607028400.db2.gz UMQOQHJIOCAPKE-UHFFFAOYSA-N -1 3 352.379 3.144 20 0 FGADHM Cc1ccc(NC(=O)c2sccc2-c2nn[n-]n2)cc1-c1ncco1 ZINC000822255062 607028402 /nfs/dbraw/zinc/02/84/02/607028402.db2.gz UMQOQHJIOCAPKE-UHFFFAOYSA-N -1 3 352.379 3.144 20 0 FGADHM C[C@H]1CC[C@H](CC(=O)N2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)C1 ZINC000820683867 607036178 /nfs/dbraw/zinc/03/61/78/607036178.db2.gz INUSXRHZLJNEHV-GJZGRUSLSA-N -1 3 369.469 3.063 20 0 FGADHM C[C@H]1CC[C@H](CC(=O)N2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)C1 ZINC000820683867 607036180 /nfs/dbraw/zinc/03/61/80/607036180.db2.gz INUSXRHZLJNEHV-GJZGRUSLSA-N -1 3 369.469 3.063 20 0 FGADHM COc1ccc2[nH]c(SCc3cc(F)ccc3-c3nn[n-]n3)nc2c1 ZINC000821854758 607038127 /nfs/dbraw/zinc/03/81/27/607038127.db2.gz UNCMROUGLPHLLD-UHFFFAOYSA-N -1 3 356.386 3.183 20 0 FGADHM c1ccc2c(c1)nc(NCC[C@@H]1COc3ccccc3O1)cc2-c1nnn[n-]1 ZINC000823802427 607039056 /nfs/dbraw/zinc/03/90/56/607039056.db2.gz NKGKJTQPNXMVJS-CYBMUJFWSA-N -1 3 374.404 3.057 20 0 FGADHM c1ccc2c(c1)nc(NCC[C@@H]1COc3ccccc3O1)cc2-c1nn[n-]n1 ZINC000823802427 607039058 /nfs/dbraw/zinc/03/90/58/607039058.db2.gz NKGKJTQPNXMVJS-CYBMUJFWSA-N -1 3 374.404 3.057 20 0 FGADHM CC[C@@H]1CCC[C@@H](NC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820972940 607043241 /nfs/dbraw/zinc/04/32/41/607043241.db2.gz SDRJZJNHSWTTSL-UKRRQHHQSA-N -1 3 357.458 3.109 20 0 FGADHM CC[C@@H]1CCC[C@@H](NC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820972940 607043243 /nfs/dbraw/zinc/04/32/43/607043243.db2.gz SDRJZJNHSWTTSL-UKRRQHHQSA-N -1 3 357.458 3.109 20 0 FGADHM Brc1ccc(Oc2ccnc(C3CC3)n2)c(-c2nnn[n-]2)c1 ZINC000819688635 607045323 /nfs/dbraw/zinc/04/53/23/607045323.db2.gz KZEIQEDWIQJRAW-UHFFFAOYSA-N -1 3 359.187 3.089 20 0 FGADHM Brc1ccc(Oc2ccnc(C3CC3)n2)c(-c2nn[n-]n2)c1 ZINC000819688635 607045325 /nfs/dbraw/zinc/04/53/25/607045325.db2.gz KZEIQEDWIQJRAW-UHFFFAOYSA-N -1 3 359.187 3.089 20 0 FGADHM CCS[C@H](C)c1noc(CN(C)[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000821449293 607068686 /nfs/dbraw/zinc/06/86/86/607068686.db2.gz RPYHDLMXDXZZPR-NWDGAFQWSA-N -1 3 373.486 3.257 20 0 FGADHM CCS[C@H](C)c1noc(CN(C)[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000821449293 607068688 /nfs/dbraw/zinc/06/86/88/607068688.db2.gz RPYHDLMXDXZZPR-NWDGAFQWSA-N -1 3 373.486 3.257 20 0 FGADHM Cc1ccc(C(=O)CCC(=O)OCc2cc(F)ccc2-c2nnn[n-]2)s1 ZINC000822225267 607075162 /nfs/dbraw/zinc/07/51/62/607075162.db2.gz VRWYFCUBDSZEAQ-UHFFFAOYSA-N -1 3 374.397 3.082 20 0 FGADHM Cc1ccc(C(=O)CCC(=O)OCc2cc(F)ccc2-c2nn[n-]n2)s1 ZINC000822225267 607075163 /nfs/dbraw/zinc/07/51/63/607075163.db2.gz VRWYFCUBDSZEAQ-UHFFFAOYSA-N -1 3 374.397 3.082 20 0 FGADHM Cc1cc(Cl)ncc1NC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000822202438 607079797 /nfs/dbraw/zinc/07/97/97/607079797.db2.gz ZYJGXHZFNDRMOM-SNVBAGLBSA-N -1 3 357.805 3.106 20 0 FGADHM Cc1cc(Cl)ncc1NC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000822202438 607079799 /nfs/dbraw/zinc/07/97/99/607079799.db2.gz ZYJGXHZFNDRMOM-SNVBAGLBSA-N -1 3 357.805 3.106 20 0 FGADHM C[C@H](Cc1ccccc1F)C(=O)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000820299791 607083714 /nfs/dbraw/zinc/08/37/14/607083714.db2.gz KLGDHYCHSUOGOW-LLVKDONJSA-N -1 3 358.348 3.067 20 0 FGADHM C[C@H](Cc1ccccc1F)C(=O)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000820299791 607083716 /nfs/dbraw/zinc/08/37/16/607083716.db2.gz KLGDHYCHSUOGOW-LLVKDONJSA-N -1 3 358.348 3.067 20 0 FGADHM CC(C)(C)c1ncsc1C(=O)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000819971821 607084768 /nfs/dbraw/zinc/08/47/68/607084768.db2.gz SQMXKAFHTFRPCX-UHFFFAOYSA-N -1 3 361.402 3.117 20 0 FGADHM CC(C)(C)c1ncsc1C(=O)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000819971821 607084770 /nfs/dbraw/zinc/08/47/70/607084770.db2.gz SQMXKAFHTFRPCX-UHFFFAOYSA-N -1 3 361.402 3.117 20 0 FGADHM Cc1c([C@@H](C)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)nnn1-c1ccccc1 ZINC000822020685 607088791 /nfs/dbraw/zinc/08/87/91/607088791.db2.gz GSDZNGIDLNQNTE-ZIAGYGMSSA-N -1 3 374.452 3.168 20 0 FGADHM CC1CCC(N(C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)C2CC2)CC1 ZINC000820690010 607106166 /nfs/dbraw/zinc/10/61/66/607106166.db2.gz FGODKACUVOJOKP-UHFFFAOYSA-N -1 3 372.448 3.259 20 0 FGADHM CC1CCC(N(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)C2CC2)CC1 ZINC000820690010 607106168 /nfs/dbraw/zinc/10/61/68/607106168.db2.gz FGODKACUVOJOKP-UHFFFAOYSA-N -1 3 372.448 3.259 20 0 FGADHM O=C(/C=C\SCc1ccco1)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000822923430 607113634 /nfs/dbraw/zinc/11/36/34/607113634.db2.gz RNYZLXOAULVIKA-ALCCZGGFSA-N -1 3 360.370 3.089 20 0 FGADHM O=C(/C=C\SCc1ccco1)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000822923430 607113636 /nfs/dbraw/zinc/11/36/36/607113636.db2.gz RNYZLXOAULVIKA-ALCCZGGFSA-N -1 3 360.370 3.089 20 0 FGADHM O=C(/C=C/SCc1ccco1)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000822923353 607113851 /nfs/dbraw/zinc/11/38/51/607113851.db2.gz QIZVFTUFTNEGTD-FNORWQNLSA-N -1 3 360.370 3.089 20 0 FGADHM O=C(/C=C/SCc1ccco1)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000822923353 607113853 /nfs/dbraw/zinc/11/38/53/607113853.db2.gz QIZVFTUFTNEGTD-FNORWQNLSA-N -1 3 360.370 3.089 20 0 FGADHM CC(C)CCC1CCN(CC(=O)Nc2sccc2-c2nnn[n-]2)CC1 ZINC000820074014 607123318 /nfs/dbraw/zinc/12/33/18/607123318.db2.gz XYRJSTGDPSMXBQ-UHFFFAOYSA-N -1 3 362.503 3.015 20 0 FGADHM CC(C)CCC1CCN(CC(=O)Nc2sccc2-c2nn[n-]n2)CC1 ZINC000820074014 607123320 /nfs/dbraw/zinc/12/33/20/607123320.db2.gz XYRJSTGDPSMXBQ-UHFFFAOYSA-N -1 3 362.503 3.015 20 0 FGADHM Clc1cc(-c2nn[n-]n2)ccc1NCc1nc(-c2cccs2)no1 ZINC000822563754 607124978 /nfs/dbraw/zinc/12/49/78/607124978.db2.gz NJSSWWZOFKRCKP-UHFFFAOYSA-N -1 3 359.802 3.244 20 0 FGADHM Clc1cc(-c2nn[n-]n2)ccc1NCCOCCOc1ccccc1 ZINC000822563718 607125209 /nfs/dbraw/zinc/12/52/09/607125209.db2.gz MGKOFKBBKIFMAG-UHFFFAOYSA-N -1 3 359.817 3.028 20 0 FGADHM Clc1cc(-c2nn[n-]n2)ccc1NCc1nc(-c2ccccc2)no1 ZINC000822564302 607125914 /nfs/dbraw/zinc/12/59/14/607125914.db2.gz YYFCSIRJCKPDHN-UHFFFAOYSA-N -1 3 353.773 3.182 20 0 FGADHM Cc1nc2ccccc2nc1CNc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822463958 607125937 /nfs/dbraw/zinc/12/59/37/607125937.db2.gz XCXZJJHUHJKWQM-UHFFFAOYSA-N -1 3 351.801 3.384 20 0 FGADHM O=C(/C=C/SCc1ccco1)OCc1cc(-c2nnn[n-]2)ccc1F ZINC000822923255 607132631 /nfs/dbraw/zinc/13/26/31/607132631.db2.gz PEHOLMMXNCUFFM-FNORWQNLSA-N -1 3 360.370 3.089 20 0 FGADHM O=C(/C=C/SCc1ccco1)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000822923255 607132633 /nfs/dbraw/zinc/13/26/33/607132633.db2.gz PEHOLMMXNCUFFM-FNORWQNLSA-N -1 3 360.370 3.089 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C[C@H](OCC)C(C)C ZINC000821099448 607153646 /nfs/dbraw/zinc/15/36/46/607153646.db2.gz IMNQTEALFUVVNC-KRWDZBQOSA-N -1 3 359.474 3.057 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C[C@H](OCC)C(C)C ZINC000821099448 607153647 /nfs/dbraw/zinc/15/36/47/607153647.db2.gz IMNQTEALFUVVNC-KRWDZBQOSA-N -1 3 359.474 3.057 20 0 FGADHM Cc1ccc(Cl)cc1NCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000822239912 607166135 /nfs/dbraw/zinc/16/61/35/607166135.db2.gz KJAWXUYXVAJFSB-UHFFFAOYSA-N -1 3 367.800 3.491 20 0 FGADHM Cc1ccc(Cl)cc1NCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822239912 607166137 /nfs/dbraw/zinc/16/61/37/607166137.db2.gz KJAWXUYXVAJFSB-UHFFFAOYSA-N -1 3 367.800 3.491 20 0 FGADHM O=C(Cc1cc(F)c(F)cc1F)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000823073959 607177790 /nfs/dbraw/zinc/17/77/90/607177790.db2.gz GHZQEAUFVZNGRS-UHFFFAOYSA-N -1 3 367.718 3.119 20 0 FGADHM O=C(Cc1cc(F)c(F)cc1F)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000823073959 607177791 /nfs/dbraw/zinc/17/77/91/607177791.db2.gz GHZQEAUFVZNGRS-UHFFFAOYSA-N -1 3 367.718 3.119 20 0 FGADHM CCCC[C@H](CC)C(=O)NCc1nc(-c2cccc(-c3nnn[n-]3)c2)c[nH]1 ZINC000821041028 607188142 /nfs/dbraw/zinc/18/81/42/607188142.db2.gz XVDPFYCSYKUUDW-ZDUSSCGKSA-N -1 3 367.457 3.089 20 0 FGADHM CCCC[C@H](CC)C(=O)NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1 ZINC000821041028 607188143 /nfs/dbraw/zinc/18/81/43/607188143.db2.gz XVDPFYCSYKUUDW-ZDUSSCGKSA-N -1 3 367.457 3.089 20 0 FGADHM O=C(COc1ccc2c(c1)CCC2)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823040958 607190419 /nfs/dbraw/zinc/19/04/19/607190419.db2.gz TWXPLEUPWFNCQC-UHFFFAOYSA-N -1 3 369.812 3.026 20 0 FGADHM O=C(COc1ccc2c(c1)CCC2)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823040958 607190420 /nfs/dbraw/zinc/19/04/20/607190420.db2.gz TWXPLEUPWFNCQC-UHFFFAOYSA-N -1 3 369.812 3.026 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC000823315301 607192182 /nfs/dbraw/zinc/19/21/82/607192182.db2.gz WZWYJHXGIIURGF-OLZOCXBDSA-N -1 3 357.776 3.401 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC000823315301 607192183 /nfs/dbraw/zinc/19/21/83/607192183.db2.gz WZWYJHXGIIURGF-OLZOCXBDSA-N -1 3 357.776 3.401 20 0 FGADHM CCc1cc(C)c(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)o1 ZINC000821470114 607192534 /nfs/dbraw/zinc/19/25/34/607192534.db2.gz MCTXWURMBYTCDM-UHFFFAOYSA-N -1 3 353.426 3.381 20 0 FGADHM CCc1cc(C)c(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)o1 ZINC000821470114 607192535 /nfs/dbraw/zinc/19/25/35/607192535.db2.gz MCTXWURMBYTCDM-UHFFFAOYSA-N -1 3 353.426 3.381 20 0 FGADHM CCC[C@@H](C)[C@@H]1CCCN1C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC000821014459 607194108 /nfs/dbraw/zinc/19/41/08/607194108.db2.gz HKZIKGUODFTGPC-DOMZBBRYSA-N -1 3 358.446 3.308 20 0 FGADHM CCC[C@@H](C)[C@@H]1CCCN1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC000821014459 607194109 /nfs/dbraw/zinc/19/41/09/607194109.db2.gz HKZIKGUODFTGPC-DOMZBBRYSA-N -1 3 358.446 3.308 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N[C@H]1C[C@H]1c1cccc(F)c1 ZINC000823319627 607195951 /nfs/dbraw/zinc/19/59/51/607195951.db2.gz WGOBQFRGTRZFHU-WFASDCNBSA-N -1 3 372.791 3.337 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N[C@H]1C[C@H]1c1cccc(F)c1 ZINC000823319627 607195952 /nfs/dbraw/zinc/19/59/52/607195952.db2.gz WGOBQFRGTRZFHU-WFASDCNBSA-N -1 3 372.791 3.337 20 0 FGADHM COc1ccccc1CN(C)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821897427 607200403 /nfs/dbraw/zinc/20/04/03/607200403.db2.gz HMMUEALRXOTFFM-UHFFFAOYSA-N -1 3 372.816 3.193 20 0 FGADHM COc1ccccc1CN(C)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821897427 607200404 /nfs/dbraw/zinc/20/04/04/607200404.db2.gz HMMUEALRXOTFFM-UHFFFAOYSA-N -1 3 372.816 3.193 20 0 FGADHM Cc1cccc(C)c1CNC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000822293552 607201176 /nfs/dbraw/zinc/20/11/76/607201176.db2.gz BWFHDIVRKXYDAW-UHFFFAOYSA-N -1 3 356.817 3.459 20 0 FGADHM Cc1cccc(C)c1CNC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822293552 607201177 /nfs/dbraw/zinc/20/11/77/607201177.db2.gz BWFHDIVRKXYDAW-UHFFFAOYSA-N -1 3 356.817 3.459 20 0 FGADHM C[C@H](c1cccc(O)c1)N(C)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820563315 607201583 /nfs/dbraw/zinc/20/15/83/607201583.db2.gz PYLVEMQDORDLDO-SNVBAGLBSA-N -1 3 372.816 3.451 20 0 FGADHM C[C@H](c1cccc(O)c1)N(C)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820563315 607201584 /nfs/dbraw/zinc/20/15/84/607201584.db2.gz PYLVEMQDORDLDO-SNVBAGLBSA-N -1 3 372.816 3.451 20 0 FGADHM CC(C)(C)c1ccc(NC(=O)c2ncc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000819958137 607231058 /nfs/dbraw/zinc/23/10/58/607231058.db2.gz JHWSYPGGFAXNJG-UHFFFAOYSA-N -1 3 356.817 3.465 20 0 FGADHM CC(C)(C)c1ccc(NC(=O)c2ncc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000819958137 607231059 /nfs/dbraw/zinc/23/10/59/607231059.db2.gz JHWSYPGGFAXNJG-UHFFFAOYSA-N -1 3 356.817 3.465 20 0 FGADHM O=C(CCCOc1ccc2c(c1)CCC2)Nc1ccccc1-c1nnn[n-]1 ZINC000822959338 607235106 /nfs/dbraw/zinc/23/51/06/607235106.db2.gz YZDBNGUHPOWVMI-UHFFFAOYSA-N -1 3 363.421 3.153 20 0 FGADHM O=C(CCCOc1ccc2c(c1)CCC2)Nc1ccccc1-c1nn[n-]n1 ZINC000822959338 607235107 /nfs/dbraw/zinc/23/51/07/607235107.db2.gz YZDBNGUHPOWVMI-UHFFFAOYSA-N -1 3 363.421 3.153 20 0 FGADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2ccnn2C2CCCC2)s1 ZINC000821465045 607237465 /nfs/dbraw/zinc/23/74/65/607237465.db2.gz AIAGTMNRTBEBFH-UHFFFAOYSA-N -1 3 357.443 3.055 20 0 FGADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2ccnn2C2CCCC2)s1 ZINC000821465045 607237466 /nfs/dbraw/zinc/23/74/66/607237466.db2.gz AIAGTMNRTBEBFH-UHFFFAOYSA-N -1 3 357.443 3.055 20 0 FGADHM CC(C)C[C@H](C)OCCC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820056858 607241311 /nfs/dbraw/zinc/24/13/11/607241311.db2.gz UGEREJUZNNXZHF-NSHDSACASA-N -1 3 351.838 3.300 20 0 FGADHM CC(C)C[C@H](C)OCCC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820056858 607241312 /nfs/dbraw/zinc/24/13/12/607241312.db2.gz UGEREJUZNNXZHF-NSHDSACASA-N -1 3 351.838 3.300 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)[C@H]1C[C@@H]1Cc1ccccc1 ZINC000823314164 607242754 /nfs/dbraw/zinc/24/27/54/607242754.db2.gz NEZAJFWOBCFWTN-KBPBESRZSA-N -1 3 353.813 3.337 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)[C@H]1C[C@@H]1Cc1ccccc1 ZINC000823314164 607242755 /nfs/dbraw/zinc/24/27/55/607242755.db2.gz NEZAJFWOBCFWTN-KBPBESRZSA-N -1 3 353.813 3.337 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1ccnn1C1CCCC1 ZINC000823318639 607243316 /nfs/dbraw/zinc/24/33/16/607243316.db2.gz GIBFPWIEJDQUAR-UHFFFAOYSA-N -1 3 357.805 3.084 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1ccnn1C1CCCC1 ZINC000823318639 607243317 /nfs/dbraw/zinc/24/33/17/607243317.db2.gz GIBFPWIEJDQUAR-UHFFFAOYSA-N -1 3 357.805 3.084 20 0 FGADHM Cc1nc(-c2ccccc2)oc1C(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000822419125 607244751 /nfs/dbraw/zinc/24/47/51/607244751.db2.gz MNPXUCLYWCYBHF-UHFFFAOYSA-N -1 3 365.324 3.188 20 0 FGADHM Cc1nc(-c2ccccc2)oc1C(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000822419125 607244752 /nfs/dbraw/zinc/24/47/52/607244752.db2.gz MNPXUCLYWCYBHF-UHFFFAOYSA-N -1 3 365.324 3.188 20 0 FGADHM O=C(C[C@@H]1CCCc2ccccc21)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000822945667 607246408 /nfs/dbraw/zinc/24/64/08/607246408.db2.gz NIBKPAUJPPLRMF-ZDUSSCGKSA-N -1 3 352.369 3.421 20 0 FGADHM O=C(C[C@@H]1CCCc2ccccc21)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000822945667 607246409 /nfs/dbraw/zinc/24/64/09/607246409.db2.gz NIBKPAUJPPLRMF-ZDUSSCGKSA-N -1 3 352.369 3.421 20 0 FGADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)c1cc(F)c(Cl)nc1Cl ZINC000823451780 607247490 /nfs/dbraw/zinc/24/74/90/607247490.db2.gz ZRLZGCQXWKELOZ-UHFFFAOYSA-N -1 3 372.118 3.066 20 0 FGADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)c1cc(F)c(Cl)nc1Cl ZINC000823451780 607247491 /nfs/dbraw/zinc/24/74/91/607247491.db2.gz ZRLZGCQXWKELOZ-UHFFFAOYSA-N -1 3 372.118 3.066 20 0 FGADHM O=C(Cc1c[nH]c2cc(Cl)ccc12)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000823074286 607247559 /nfs/dbraw/zinc/24/75/59/607247559.db2.gz OLQIWXCBLYYVHS-UHFFFAOYSA-N -1 3 371.759 3.289 20 0 FGADHM O=C(Cc1c[nH]c2cc(Cl)ccc12)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000823074286 607247560 /nfs/dbraw/zinc/24/75/60/607247560.db2.gz OLQIWXCBLYYVHS-UHFFFAOYSA-N -1 3 371.759 3.289 20 0 FGADHM CC[C@H](CSc1ccccc1)NC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000825127606 607774280 /nfs/dbraw/zinc/77/42/80/607774280.db2.gz OCTLPJSURXLNRL-OAHLLOKOSA-N -1 3 367.478 3.476 20 0 FGADHM CC[C@H](CSc1ccccc1)NC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000825127606 607774281 /nfs/dbraw/zinc/77/42/81/607774281.db2.gz OCTLPJSURXLNRL-OAHLLOKOSA-N -1 3 367.478 3.476 20 0 FGADHM Cc1cc(N(C)C)cc(C)c1NC(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000826268613 607784009 /nfs/dbraw/zinc/78/40/09/607784009.db2.gz FZAIFIDSAIBMHD-UHFFFAOYSA-N -1 3 367.482 3.358 20 0 FGADHM Cc1cc(N(C)C)cc(C)c1NC(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000826268613 607784010 /nfs/dbraw/zinc/78/40/10/607784010.db2.gz FZAIFIDSAIBMHD-UHFFFAOYSA-N -1 3 367.482 3.358 20 0 FGADHM Cc1c2cc(F)ccc2oc1C(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC000826234130 607786698 /nfs/dbraw/zinc/78/66/98/607786698.db2.gz JELYZFRVWWIIPF-UHFFFAOYSA-N -1 3 351.341 3.337 20 0 FGADHM Cc1c2cc(F)ccc2oc1C(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC000826234130 607786699 /nfs/dbraw/zinc/78/66/99/607786699.db2.gz JELYZFRVWWIIPF-UHFFFAOYSA-N -1 3 351.341 3.337 20 0 FGADHM CC[C@@H](C)Oc1ccc(C(=O)N(C)c2ccccc2-c2nnn[n-]2)cc1 ZINC000825076518 607787696 /nfs/dbraw/zinc/78/76/96/607787696.db2.gz WAOUFXJDMMQEDI-CYBMUJFWSA-N -1 3 351.410 3.321 20 0 FGADHM CC[C@@H](C)Oc1ccc(C(=O)N(C)c2ccccc2-c2nn[n-]n2)cc1 ZINC000825076518 607787697 /nfs/dbraw/zinc/78/76/97/607787697.db2.gz WAOUFXJDMMQEDI-CYBMUJFWSA-N -1 3 351.410 3.321 20 0 FGADHM Cc1ccc(Cl)c(O[C@@H](C)C(=O)N(C)c2ccccc2-c2nnn[n-]2)c1 ZINC000826288507 607789234 /nfs/dbraw/zinc/78/92/34/607789234.db2.gz JUKXLYKMFUKSEA-LBPRGKRZSA-N -1 3 371.828 3.259 20 0 FGADHM Cc1ccc(Cl)c(O[C@@H](C)C(=O)N(C)c2ccccc2-c2nn[n-]n2)c1 ZINC000826288507 607789235 /nfs/dbraw/zinc/78/92/35/607789235.db2.gz JUKXLYKMFUKSEA-LBPRGKRZSA-N -1 3 371.828 3.259 20 0 FGADHM Cc1ccc(Cl)c(O[C@H](C)C(=O)N(C)c2ccccc2-c2nnn[n-]2)c1 ZINC000826288506 607789468 /nfs/dbraw/zinc/78/94/68/607789468.db2.gz JUKXLYKMFUKSEA-GFCCVEGCSA-N -1 3 371.828 3.259 20 0 FGADHM Cc1ccc(Cl)c(O[C@H](C)C(=O)N(C)c2ccccc2-c2nn[n-]n2)c1 ZINC000826288506 607789469 /nfs/dbraw/zinc/78/94/69/607789469.db2.gz JUKXLYKMFUKSEA-GFCCVEGCSA-N -1 3 371.828 3.259 20 0 FGADHM CCN(C(=O)c1cnc2ccccc2c1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825390296 607796901 /nfs/dbraw/zinc/79/69/01/607796901.db2.gz CSFFEFBQARSUOL-UHFFFAOYSA-N -1 3 358.405 3.390 20 0 FGADHM CCN(C(=O)c1cnc2ccccc2c1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825390296 607796902 /nfs/dbraw/zinc/79/69/02/607796902.db2.gz CSFFEFBQARSUOL-UHFFFAOYSA-N -1 3 358.405 3.390 20 0 FGADHM Cc1ccc(SCCS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)cc1C ZINC000826293167 607814749 /nfs/dbraw/zinc/81/47/49/607814749.db2.gz DGDFNANSROACJL-UHFFFAOYSA-N -1 3 374.491 3.050 20 0 FGADHM Cc1ccc(SCCS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)cc1C ZINC000826293167 607814750 /nfs/dbraw/zinc/81/47/50/607814750.db2.gz DGDFNANSROACJL-UHFFFAOYSA-N -1 3 374.491 3.050 20 0 FGADHM COc1ccc2cccc(CC(=O)N(C)c3cccc(-c4nnn[n-]4)c3)c2c1 ZINC000826213159 607816684 /nfs/dbraw/zinc/81/66/84/607816684.db2.gz MSHOBZLQPKTMEQ-UHFFFAOYSA-N -1 3 373.416 3.234 20 0 FGADHM COc1ccc2cccc(CC(=O)N(C)c3cccc(-c4nn[n-]n4)c3)c2c1 ZINC000826213159 607816685 /nfs/dbraw/zinc/81/66/85/607816685.db2.gz MSHOBZLQPKTMEQ-UHFFFAOYSA-N -1 3 373.416 3.234 20 0 FGADHM Cc1noc(C)c1[C@H](C)CC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000826338272 607830963 /nfs/dbraw/zinc/83/09/63/607830963.db2.gz PVIYXJPFIBCILE-MRVPVSSYSA-N -1 3 360.805 3.257 20 0 FGADHM Cc1noc(C)c1[C@H](C)CC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000826338272 607830964 /nfs/dbraw/zinc/83/09/64/607830964.db2.gz PVIYXJPFIBCILE-MRVPVSSYSA-N -1 3 360.805 3.257 20 0 FGADHM Cc1noc(C)c1[C@@H](C)CC(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826338404 607831163 /nfs/dbraw/zinc/83/11/63/607831163.db2.gz UQVIRQAXBJUPNW-JQWIXIFHSA-N -1 3 355.398 3.270 20 0 FGADHM Cc1noc(C)c1[C@@H](C)CC(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826338404 607831164 /nfs/dbraw/zinc/83/11/64/607831164.db2.gz UQVIRQAXBJUPNW-JQWIXIFHSA-N -1 3 355.398 3.270 20 0 FGADHM COCC[C@@H](C)OC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826154835 607837056 /nfs/dbraw/zinc/83/70/56/607837056.db2.gz YQQRJMGQWORJGC-CYBMUJFWSA-N -1 3 368.393 3.241 20 0 FGADHM COCC[C@@H](C)OC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826154835 607837057 /nfs/dbraw/zinc/83/70/57/607837057.db2.gz YQQRJMGQWORJGC-CYBMUJFWSA-N -1 3 368.393 3.241 20 0 FGADHM c1ccc(NCCCCNc2ccc3cc(-c4nn[n-]n4)ccc3n2)nc1 ZINC000826522041 607841873 /nfs/dbraw/zinc/84/18/73/607841873.db2.gz JLXXARKXBBCEJE-UHFFFAOYSA-N -1 3 360.425 3.114 20 0 FGADHM CCOc1ccccc1N(C)C(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000825653876 607842755 /nfs/dbraw/zinc/84/27/55/607842755.db2.gz LSXRYGBYIHEDTH-UHFFFAOYSA-N -1 3 354.439 3.099 20 0 FGADHM CCOc1ccccc1N(C)C(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000825653876 607842756 /nfs/dbraw/zinc/84/27/56/607842756.db2.gz LSXRYGBYIHEDTH-UHFFFAOYSA-N -1 3 354.439 3.099 20 0 FGADHM CC(C)(C)[C@@H](OC(=O)CCc1ccc(-c2nnn[n-]2)cc1)C(F)(F)F ZINC000824071404 607877685 /nfs/dbraw/zinc/87/76/85/607877685.db2.gz IAHGAOOBMWJUIR-CQSZACIVSA-N -1 3 356.348 3.320 20 0 FGADHM CC(C)(C)[C@@H](OC(=O)CCc1ccc(-c2nn[n-]n2)cc1)C(F)(F)F ZINC000824071404 607877686 /nfs/dbraw/zinc/87/76/86/607877686.db2.gz IAHGAOOBMWJUIR-CQSZACIVSA-N -1 3 356.348 3.320 20 0 FGADHM CCN(C(=O)c1ccnc(Cl)c1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825386131 607879037 /nfs/dbraw/zinc/87/90/37/607879037.db2.gz YLSRIFVMCFGLCH-UHFFFAOYSA-N -1 3 363.208 3.235 20 0 FGADHM CCN(C(=O)c1ccnc(Cl)c1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825386131 607879038 /nfs/dbraw/zinc/87/90/38/607879038.db2.gz YLSRIFVMCFGLCH-UHFFFAOYSA-N -1 3 363.208 3.235 20 0 FGADHM O=C(Cn1ccc(-c2nnn[n-]2)c1)N(C1CCCCC1)C1CCCCC1 ZINC000826424384 607892955 /nfs/dbraw/zinc/89/29/55/607892955.db2.gz KAQLNNRWNFCYTQ-UHFFFAOYSA-N -1 3 356.474 3.162 20 0 FGADHM O=C(Cn1ccc(-c2nn[n-]n2)c1)N(C1CCCCC1)C1CCCCC1 ZINC000826424384 607892956 /nfs/dbraw/zinc/89/29/56/607892956.db2.gz KAQLNNRWNFCYTQ-UHFFFAOYSA-N -1 3 356.474 3.162 20 0 FGADHM Cc1ccnc(CSc2nc(-c3ccccc3)ccc2-c2nnn[n-]2)n1 ZINC000826308865 607893270 /nfs/dbraw/zinc/89/32/70/607893270.db2.gz SPLIKHLOCZFPOG-UHFFFAOYSA-N -1 3 361.434 3.319 20 0 FGADHM Cc1ccnc(CSc2nc(-c3ccccc3)ccc2-c2nn[n-]n2)n1 ZINC000826308865 607893271 /nfs/dbraw/zinc/89/32/71/607893271.db2.gz SPLIKHLOCZFPOG-UHFFFAOYSA-N -1 3 361.434 3.319 20 0 FGADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccc([S@@](C)=O)cc1 ZINC000824650380 607902764 /nfs/dbraw/zinc/90/27/64/607902764.db2.gz RDFSWSJMCQIDID-VKTRGTBVSA-N -1 3 361.858 3.431 20 0 FGADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc([S@@](C)=O)cc1 ZINC000824650380 607902765 /nfs/dbraw/zinc/90/27/65/607902765.db2.gz RDFSWSJMCQIDID-VKTRGTBVSA-N -1 3 361.858 3.431 20 0 FGADHM C[C@@H](Nc1c(F)cc(-c2nnn[n-]2)cc1F)c1ccc([S@@](C)=O)cc1 ZINC000824651200 607902773 /nfs/dbraw/zinc/90/27/73/607902773.db2.gz XMJQBIYJKVORAE-UVJXUPGXSA-N -1 3 363.393 3.055 20 0 FGADHM C[C@@H](Nc1c(F)cc(-c2nn[n-]n2)cc1F)c1ccc([S@@](C)=O)cc1 ZINC000824651200 607902774 /nfs/dbraw/zinc/90/27/74/607902774.db2.gz XMJQBIYJKVORAE-UVJXUPGXSA-N -1 3 363.393 3.055 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NCC(=O)Nc1c(C)cccc1Cl ZINC000826278822 607931027 /nfs/dbraw/zinc/93/10/27/607931027.db2.gz UXUSOEWWXMXTGK-UHFFFAOYSA-N -1 3 356.817 3.188 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NCC(=O)Nc1c(C)cccc1Cl ZINC000826278822 607931028 /nfs/dbraw/zinc/93/10/28/607931028.db2.gz UXUSOEWWXMXTGK-UHFFFAOYSA-N -1 3 356.817 3.188 20 0 FGADHM O=C(c1ccc(N2CCCCC2)cc1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826473347 607950407 /nfs/dbraw/zinc/95/04/07/607950407.db2.gz UJJYIDVZMJUVIQ-UHFFFAOYSA-N -1 3 374.448 3.060 20 0 FGADHM O=C(c1ccc(N2CCCCC2)cc1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826473347 607950408 /nfs/dbraw/zinc/95/04/08/607950408.db2.gz UJJYIDVZMJUVIQ-UHFFFAOYSA-N -1 3 374.448 3.060 20 0 FGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)C=Cc1ccnc(Cl)c1 ZINC000824147662 607961997 /nfs/dbraw/zinc/96/19/97/607961997.db2.gz FZPHIFSPRGJZAR-SNAWJCMRSA-N -1 3 371.832 3.124 20 0 FGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)C=Cc1ccnc(Cl)c1 ZINC000824147662 607961998 /nfs/dbraw/zinc/96/19/98/607961998.db2.gz FZPHIFSPRGJZAR-SNAWJCMRSA-N -1 3 371.832 3.124 20 0 FGADHM Cc1cnc(Nc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)nc1 ZINC000826319375 607965056 /nfs/dbraw/zinc/96/50/56/607965056.db2.gz ZSLHVIBCDRGZLJ-UHFFFAOYSA-N -1 3 359.393 3.288 20 0 FGADHM Cc1cnc(Nc2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)nc1 ZINC000826319375 607965057 /nfs/dbraw/zinc/96/50/57/607965057.db2.gz ZSLHVIBCDRGZLJ-UHFFFAOYSA-N -1 3 359.393 3.288 20 0 FGADHM CC(=Cc1ccc(Cl)cc1)C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000823942610 607969363 /nfs/dbraw/zinc/96/93/63/607969363.db2.gz GZRNESQFUZDSIF-FMIVXFBMSA-N -1 3 353.813 3.240 20 0 FGADHM CC(=Cc1ccc(Cl)cc1)C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000823942610 607969364 /nfs/dbraw/zinc/96/93/64/607969364.db2.gz GZRNESQFUZDSIF-FMIVXFBMSA-N -1 3 353.813 3.240 20 0 FGADHM COc1cc(C(=O)OCc2cc(F)ccc2-c2nnn[n-]2)ccc1Cl ZINC000826177779 607979589 /nfs/dbraw/zinc/97/95/89/607979589.db2.gz VBSJMUOAEKUXIF-UHFFFAOYSA-N -1 3 362.748 3.025 20 0 FGADHM COc1cc(C(=O)OCc2cc(F)ccc2-c2nn[n-]n2)ccc1Cl ZINC000826177779 607979590 /nfs/dbraw/zinc/97/95/90/607979590.db2.gz VBSJMUOAEKUXIF-UHFFFAOYSA-N -1 3 362.748 3.025 20 0 FGADHM COc1ccc(C[C@@H](C)C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)cc1 ZINC000826190750 607980543 /nfs/dbraw/zinc/98/05/43/607980543.db2.gz MIJOBAFRXYATJG-CYBMUJFWSA-N -1 3 351.410 3.001 20 0 FGADHM COc1ccc(C[C@@H](C)C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)cc1 ZINC000826190750 607980544 /nfs/dbraw/zinc/98/05/44/607980544.db2.gz MIJOBAFRXYATJG-CYBMUJFWSA-N -1 3 351.410 3.001 20 0 FGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)C=Cc1ccc(Cl)nc1 ZINC000824148449 608003660 /nfs/dbraw/zinc/00/36/60/608003660.db2.gz VMEMXQODZHSFQX-FNORWQNLSA-N -1 3 371.832 3.124 20 0 FGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)C=Cc1ccc(Cl)nc1 ZINC000824148449 608003661 /nfs/dbraw/zinc/00/36/61/608003661.db2.gz VMEMXQODZHSFQX-FNORWQNLSA-N -1 3 371.832 3.124 20 0 FGADHM CC1(C)CN(C(=O)C=Cc2ccccc2-c2nnn[n-]2)Cc2ccccc21 ZINC000824807300 608003877 /nfs/dbraw/zinc/00/38/77/608003877.db2.gz IASRJYLWVMHSQU-QXMHVHEDSA-N -1 3 359.433 3.200 20 0 FGADHM CC1(C)CN(C(=O)C=Cc2ccccc2-c2nn[n-]n2)Cc2ccccc21 ZINC000824807300 608003878 /nfs/dbraw/zinc/00/38/78/608003878.db2.gz IASRJYLWVMHSQU-QXMHVHEDSA-N -1 3 359.433 3.200 20 0 FGADHM Cc1cc([C@H](NC(=O)c2cc(-c3nnn[n-]3)cs2)C2CC2)ccc1F ZINC000826262796 608009796 /nfs/dbraw/zinc/00/97/96/608009796.db2.gz ZBLDJANJGSPITH-OAHLLOKOSA-N -1 3 357.414 3.257 20 0 FGADHM Cc1cc([C@H](NC(=O)c2cc(-c3nn[n-]n3)cs2)C2CC2)ccc1F ZINC000826262796 608009797 /nfs/dbraw/zinc/00/97/97/608009797.db2.gz ZBLDJANJGSPITH-OAHLLOKOSA-N -1 3 357.414 3.257 20 0 FGADHM Cc1cc([C@H](NC(=O)c2ccc(-c3nnn[n-]3)cc2)C2CC2)ccc1F ZINC000826262724 608009812 /nfs/dbraw/zinc/00/98/12/608009812.db2.gz WXCIQLMQYDKMFU-QGZVFWFLSA-N -1 3 351.385 3.195 20 0 FGADHM Cc1cc([C@H](NC(=O)c2ccc(-c3nn[n-]n3)cc2)C2CC2)ccc1F ZINC000826262724 608009813 /nfs/dbraw/zinc/00/98/13/608009813.db2.gz WXCIQLMQYDKMFU-QGZVFWFLSA-N -1 3 351.385 3.195 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1NC1CCC(OC(=O)C(C)(C)C)CC1 ZINC000826254243 608012248 /nfs/dbraw/zinc/01/22/48/608012248.db2.gz ATTNTDIZUXCQJN-UHFFFAOYSA-N -1 3 357.458 3.488 20 0 FGADHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2N1CCc2ccsc2C1 ZINC000826268238 608019125 /nfs/dbraw/zinc/01/91/25/608019125.db2.gz PFKZBKOEAZXORA-UHFFFAOYSA-N -1 3 366.425 3.487 20 0 FGADHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2N1CCc2ccsc2C1 ZINC000826268238 608019126 /nfs/dbraw/zinc/01/91/26/608019126.db2.gz PFKZBKOEAZXORA-UHFFFAOYSA-N -1 3 366.425 3.487 20 0 FGADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OCc1cnc(Cl)s1 ZINC000826167923 608024091 /nfs/dbraw/zinc/02/40/91/608024091.db2.gz WAWLVOIOAGLDGF-UHFFFAOYSA-N -1 3 358.210 3.218 20 0 FGADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OCc1cnc(Cl)s1 ZINC000826167923 608024092 /nfs/dbraw/zinc/02/40/92/608024092.db2.gz WAWLVOIOAGLDGF-UHFFFAOYSA-N -1 3 358.210 3.218 20 0 FGADHM Cc1ccc([C@@H](O)CNc2ccc(-c3nn[n-]n3)cc2Br)cc1 ZINC000826284369 608048074 /nfs/dbraw/zinc/04/80/74/608048074.db2.gz RTMQYYDMFONEQE-HNNXBMFYSA-N -1 3 374.242 3.083 20 0 FGADHM c1cc2c(ccnc2N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)s1 ZINC000826513417 608052960 /nfs/dbraw/zinc/05/29/60/608052960.db2.gz KVWYSSSORSRKHU-HNNXBMFYSA-N -1 3 364.434 3.054 20 0 FGADHM c1cc2c(ccnc2N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)s1 ZINC000826513417 608052961 /nfs/dbraw/zinc/05/29/61/608052961.db2.gz KVWYSSSORSRKHU-HNNXBMFYSA-N -1 3 364.434 3.054 20 0 FGADHM c1cc2c(ccnc2N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)s1 ZINC000826513418 608052975 /nfs/dbraw/zinc/05/29/75/608052975.db2.gz KVWYSSSORSRKHU-OAHLLOKOSA-N -1 3 364.434 3.054 20 0 FGADHM c1cc2c(ccnc2N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)s1 ZINC000826513418 608052976 /nfs/dbraw/zinc/05/29/76/608052976.db2.gz KVWYSSSORSRKHU-OAHLLOKOSA-N -1 3 364.434 3.054 20 0 FGADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)C2=Cc3cc(F)ccc3OC2)s1 ZINC000825693775 608061041 /nfs/dbraw/zinc/06/10/41/608061041.db2.gz FCQWPGPIRGRCQV-UHFFFAOYSA-N -1 3 371.397 3.044 20 0 FGADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)C2=Cc3cc(F)ccc3OC2)s1 ZINC000825693775 608061042 /nfs/dbraw/zinc/06/10/42/608061042.db2.gz FCQWPGPIRGRCQV-UHFFFAOYSA-N -1 3 371.397 3.044 20 0 FGADHM Fc1ccc2c(c1)[C@H](N1CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C1)CC2 ZINC000826375982 608067447 /nfs/dbraw/zinc/06/74/47/608067447.db2.gz JQBANUOHDFBCSQ-MOPGFXCFSA-N -1 3 365.412 3.067 20 0 FGADHM Fc1ccc2c(c1)[C@@H](N1CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C1)CC2 ZINC000826375983 608067642 /nfs/dbraw/zinc/06/76/42/608067642.db2.gz JQBANUOHDFBCSQ-OALUTQOASA-N -1 3 365.412 3.067 20 0 FGADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Oc1ccc(Cl)c(F)c1 ZINC000824739721 608073982 /nfs/dbraw/zinc/07/39/82/608073982.db2.gz ZTIMXJHLVBCGGF-SECBINFHSA-N -1 3 362.748 3.032 20 0 FGADHM CC(C)c1ccc2c(c1)[C@H](NC(=O)c1ccc(-c3nnn[n-]3)[nH]1)CCC2 ZINC000824348022 608103090 /nfs/dbraw/zinc/10/30/90/608103090.db2.gz WZOMTKWGWKCKGY-OAHLLOKOSA-N -1 3 350.426 3.126 20 0 FGADHM CC(C)c1ccc2c(c1)[C@H](NC(=O)c1ccc(-c3nn[n-]n3)[nH]1)CCC2 ZINC000824348022 608103091 /nfs/dbraw/zinc/10/30/91/608103091.db2.gz WZOMTKWGWKCKGY-OAHLLOKOSA-N -1 3 350.426 3.126 20 0 FGADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cc(C(C)C)on1 ZINC000824255500 608119536 /nfs/dbraw/zinc/11/95/36/608119536.db2.gz MAEJZMFFXYUPDB-UHFFFAOYSA-N -1 3 368.441 3.277 20 0 FGADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cc(C(C)C)on1 ZINC000824255500 608119537 /nfs/dbraw/zinc/11/95/37/608119537.db2.gz MAEJZMFFXYUPDB-UHFFFAOYSA-N -1 3 368.441 3.277 20 0 FGADHM Cc1cc(C)cc([C@H]2CCN(C(=O)Cc3ccc(-c4nnn[n-]4)cc3)C2)c1 ZINC000826264738 608130498 /nfs/dbraw/zinc/13/04/98/608130498.db2.gz YMSPYFMYKZTIPE-SFHVURJKSA-N -1 3 361.449 3.042 20 0 FGADHM Cc1cc(C)cc([C@H]2CCN(C(=O)Cc3ccc(-c4nn[n-]n4)cc3)C2)c1 ZINC000826264738 608130499 /nfs/dbraw/zinc/13/04/99/608130499.db2.gz YMSPYFMYKZTIPE-SFHVURJKSA-N -1 3 361.449 3.042 20 0 FGADHM COCCOc1ccc(-c2nnn[n-]2)cc1NCc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000826161930 608136275 /nfs/dbraw/zinc/13/62/75/608136275.db2.gz FYWQTPAWFLTWLU-SWLSCSKDSA-N -1 3 369.425 3.220 20 0 FGADHM COCCOc1ccc(-c2nn[n-]n2)cc1NCc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000826161930 608136276 /nfs/dbraw/zinc/13/62/76/608136276.db2.gz FYWQTPAWFLTWLU-SWLSCSKDSA-N -1 3 369.425 3.220 20 0 FGADHM C[C@H]1CN(C(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)CC(C)(C)C1 ZINC000824967484 608139408 /nfs/dbraw/zinc/13/94/08/608139408.db2.gz KSLSSWUJTWUWJY-OAHLLOKOSA-N -1 3 371.485 3.310 20 0 FGADHM C[C@H]1CN(C(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)CC(C)(C)C1 ZINC000824967484 608139409 /nfs/dbraw/zinc/13/94/09/608139409.db2.gz KSLSSWUJTWUWJY-OAHLLOKOSA-N -1 3 371.485 3.310 20 0 FGADHM Cc1cc([C@@H]2CN(c3cccc(F)c3-c3nnn[n-]3)CCO2)ccc1F ZINC000826266460 608154035 /nfs/dbraw/zinc/15/40/35/608154035.db2.gz PLIJHNDBYAOTOT-INIZCTEOSA-N -1 3 357.364 3.031 20 0 FGADHM Cc1cc([C@@H]2CN(c3cccc(F)c3-c3nn[n-]n3)CCO2)ccc1F ZINC000826266460 608154038 /nfs/dbraw/zinc/15/40/38/608154038.db2.gz PLIJHNDBYAOTOT-INIZCTEOSA-N -1 3 357.364 3.031 20 0 FGADHM C[C@H]1CCC[C@@H](CSCC(=O)NCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000824930010 608155381 /nfs/dbraw/zinc/15/53/81/608155381.db2.gz ZGYGASSUPQTOFQ-DZGCQCFKSA-N -1 3 359.499 3.042 20 0 FGADHM C[C@H]1CCC[C@@H](CSCC(=O)NCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000824930010 608155382 /nfs/dbraw/zinc/15/53/82/608155382.db2.gz ZGYGASSUPQTOFQ-DZGCQCFKSA-N -1 3 359.499 3.042 20 0 FGADHM C[C@H](OC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1)C1CC1 ZINC000736159878 608165921 /nfs/dbraw/zinc/16/59/21/608165921.db2.gz YNKJJZMLRDTGRL-NSHDSACASA-N -1 3 351.366 3.009 20 0 FGADHM C[C@H](OC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1)C1CC1 ZINC000736159878 608165922 /nfs/dbraw/zinc/16/59/22/608165922.db2.gz YNKJJZMLRDTGRL-NSHDSACASA-N -1 3 351.366 3.009 20 0 FGADHM CCN(C(=O)c1cccn1C(C)C)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825385287 608166656 /nfs/dbraw/zinc/16/66/56/608166656.db2.gz BGZVJNKLNMPNNG-CQSZACIVSA-N -1 3 352.442 3.472 20 0 FGADHM CCN(C(=O)c1cccn1C(C)C)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825385287 608166657 /nfs/dbraw/zinc/16/66/57/608166657.db2.gz BGZVJNKLNMPNNG-CQSZACIVSA-N -1 3 352.442 3.472 20 0 FGADHM CCCC1(C(=O)Nc2nc3cc(-c4nnn[n-]4)ccc3n2CC)CCC1 ZINC000825248106 608175175 /nfs/dbraw/zinc/17/51/75/608175175.db2.gz NZYWMDMPTKDRJP-UHFFFAOYSA-N -1 3 353.430 3.145 20 0 FGADHM CCCC1(C(=O)Nc2nc3cc(-c4nn[n-]n4)ccc3n2CC)CCC1 ZINC000825248106 608175176 /nfs/dbraw/zinc/17/51/76/608175176.db2.gz NZYWMDMPTKDRJP-UHFFFAOYSA-N -1 3 353.430 3.145 20 0 FGADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)CC1CCCCC1 ZINC000825789145 608175673 /nfs/dbraw/zinc/17/56/73/608175673.db2.gz XJBATVCLUCQCPF-UHFFFAOYSA-N -1 3 353.430 3.145 20 0 FGADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)CC1CCCCC1 ZINC000825789145 608175674 /nfs/dbraw/zinc/17/56/74/608175674.db2.gz XJBATVCLUCQCPF-UHFFFAOYSA-N -1 3 353.430 3.145 20 0 FGADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)c1c(C)cccc1C ZINC000825793573 608176200 /nfs/dbraw/zinc/17/62/00/608176200.db2.gz WWCMOKGXRZPUPJ-UHFFFAOYSA-N -1 3 361.409 3.105 20 0 FGADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)c1c(C)cccc1C ZINC000825793573 608176202 /nfs/dbraw/zinc/17/62/02/608176202.db2.gz WWCMOKGXRZPUPJ-UHFFFAOYSA-N -1 3 361.409 3.105 20 0 FGADHM Cn1c2ccc(Nc3snc(Cl)c3-c3nnn[n-]3)cc2nc1C1CC1 ZINC000826355148 608193079 /nfs/dbraw/zinc/19/30/79/608193079.db2.gz MGXZXQNGBSCDIA-UHFFFAOYSA-N -1 3 372.845 3.484 20 0 FGADHM Cn1c2ccc(Nc3snc(Cl)c3-c3nn[n-]n3)cc2nc1C1CC1 ZINC000826355148 608193081 /nfs/dbraw/zinc/19/30/81/608193081.db2.gz MGXZXQNGBSCDIA-UHFFFAOYSA-N -1 3 372.845 3.484 20 0 FGADHM CC(C)(C)[C@@H](O)C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000824072396 608194835 /nfs/dbraw/zinc/19/48/35/608194835.db2.gz VGXJUKUFICEIKR-INIZCTEOSA-N -1 3 367.409 3.005 20 0 FGADHM CC(C)(C)[C@@H](O)C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000824072396 608194837 /nfs/dbraw/zinc/19/48/37/608194837.db2.gz VGXJUKUFICEIKR-INIZCTEOSA-N -1 3 367.409 3.005 20 0 FGADHM CC[C@H](C)[C@@H](O)C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000825060941 608195185 /nfs/dbraw/zinc/19/51/85/608195185.db2.gz VHBKBZHXGDBQRR-YVEFUNNKSA-N -1 3 367.409 3.005 20 0 FGADHM CC[C@H](C)[C@@H](O)C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000825060941 608195186 /nfs/dbraw/zinc/19/51/86/608195186.db2.gz VHBKBZHXGDBQRR-YVEFUNNKSA-N -1 3 367.409 3.005 20 0 FGADHM C[C@H](NC(=O)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl)C1CCCC1 ZINC000824507303 608199433 /nfs/dbraw/zinc/19/94/33/608199433.db2.gz WDHGPCXYOIDZBH-QMMMGPOBSA-N -1 3 354.241 3.482 20 0 FGADHM C[C@H](NC(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl)C1CCCC1 ZINC000824507303 608199435 /nfs/dbraw/zinc/19/94/35/608199435.db2.gz WDHGPCXYOIDZBH-QMMMGPOBSA-N -1 3 354.241 3.482 20 0 FGADHM Fc1cccc(Br)c1CSc1ccc(-c2nnn[n-]2)cn1 ZINC000826376731 608218726 /nfs/dbraw/zinc/21/87/26/608218726.db2.gz PJXSDPQDAPTNLO-UHFFFAOYSA-N -1 3 366.219 3.456 20 0 FGADHM Fc1cccc(Br)c1CSc1ccc(-c2nn[n-]n2)cn1 ZINC000826376731 608218727 /nfs/dbraw/zinc/21/87/27/608218727.db2.gz PJXSDPQDAPTNLO-UHFFFAOYSA-N -1 3 366.219 3.456 20 0 FGADHM O[C@@H](Cn1ccc(-c2ccc(-c3nnn[n-]3)cc2)n1)c1ccc(Cl)cc1 ZINC000826510800 608220862 /nfs/dbraw/zinc/22/08/62/608220862.db2.gz LAORHBOGZJGJNV-KRWDZBQOSA-N -1 3 366.812 3.117 20 0 FGADHM O[C@@H](Cn1ccc(-c2ccc(-c3nn[n-]n3)cc2)n1)c1ccc(Cl)cc1 ZINC000826510800 608220863 /nfs/dbraw/zinc/22/08/63/608220863.db2.gz LAORHBOGZJGJNV-KRWDZBQOSA-N -1 3 366.812 3.117 20 0 FGADHM COc1cc(Br)cc(NCc2ccccc2-c2nnn[n-]2)c1 ZINC000826176817 608227050 /nfs/dbraw/zinc/22/70/50/608227050.db2.gz FTMGFBHPBUVGPB-UHFFFAOYSA-N -1 3 360.215 3.250 20 0 FGADHM COc1cc(Br)cc(NCc2ccccc2-c2nn[n-]n2)c1 ZINC000826176817 608227051 /nfs/dbraw/zinc/22/70/51/608227051.db2.gz FTMGFBHPBUVGPB-UHFFFAOYSA-N -1 3 360.215 3.250 20 0 FGADHM COc1ccc([C@H](OC)[C@H](C)Nc2ncc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000826190097 608239998 /nfs/dbraw/zinc/23/99/98/608239998.db2.gz POYVZBQYHBVURW-ZUZCIYMTSA-N -1 3 374.832 3.112 20 0 FGADHM COc1ccc([C@H](OC)[C@H](C)Nc2ncc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000826190097 608240000 /nfs/dbraw/zinc/24/00/00/608240000.db2.gz POYVZBQYHBVURW-ZUZCIYMTSA-N -1 3 374.832 3.112 20 0 FGADHM Cc1cccc([C@@H](NCc2ccc(-c3nn[n-]n3)cc2)c2ccccn2)c1 ZINC000826297056 608241607 /nfs/dbraw/zinc/24/16/07/608241607.db2.gz TYMUGDOSOIDSDR-HXUWFJFHSA-N -1 3 356.433 3.449 20 0 FGADHM O=C(C=Cc1ccc2[nH]ccc2c1)OCc1cc(-c2nnn[n-]2)ccc1F ZINC000826401160 608248990 /nfs/dbraw/zinc/24/89/90/608248990.db2.gz RCDRRUMIYLWUKS-KXFIGUGUSA-N -1 3 363.352 3.244 20 0 FGADHM O=C(C=Cc1ccc2[nH]ccc2c1)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000826401160 608248991 /nfs/dbraw/zinc/24/89/91/608248991.db2.gz RCDRRUMIYLWUKS-KXFIGUGUSA-N -1 3 363.352 3.244 20 0 FGADHM Fc1cccc(CN2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)c1Cl ZINC000826376563 608262559 /nfs/dbraw/zinc/26/25/59/608262559.db2.gz JFLAHGCTVOOTNZ-INIZCTEOSA-N -1 3 373.819 3.233 20 0 FGADHM Fc1cccc(CN2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)c1Cl ZINC000826376563 608262561 /nfs/dbraw/zinc/26/25/61/608262561.db2.gz JFLAHGCTVOOTNZ-INIZCTEOSA-N -1 3 373.819 3.233 20 0 FGADHM Cc1ccc([C@H]2OCCC[C@H]2CNc2nc(C)ccc2-c2nnn[n-]2)cc1 ZINC000826286263 608293029 /nfs/dbraw/zinc/29/30/29/608293029.db2.gz WYUUWARMTSDGTA-FUHWJXTLSA-N -1 3 364.453 3.458 20 0 FGADHM Cc1ccc([C@H]2OCCC[C@H]2CNc2nc(C)ccc2-c2nn[n-]n2)cc1 ZINC000826286263 608293030 /nfs/dbraw/zinc/29/30/30/608293030.db2.gz WYUUWARMTSDGTA-FUHWJXTLSA-N -1 3 364.453 3.458 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)c(N2CCc3c(Cl)cc(Cl)cc3C2)n1 ZINC000826274729 608298421 /nfs/dbraw/zinc/29/84/21/608298421.db2.gz CGEFCAODWSMDMS-UHFFFAOYSA-N -1 3 361.236 3.440 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)c(N2CCc3c(Cl)cc(Cl)cc3C2)n1 ZINC000826274729 608298423 /nfs/dbraw/zinc/29/84/23/608298423.db2.gz CGEFCAODWSMDMS-UHFFFAOYSA-N -1 3 361.236 3.440 20 0 FGADHM C[C@@H]1CCN(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C[C@H]1C ZINC000824949084 608302762 /nfs/dbraw/zinc/30/27/62/608302762.db2.gz WKVFHYPGJPVCLM-NXEZZACHSA-N -1 3 368.363 3.395 20 0 FGADHM C[C@@H]1CCN(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C[C@H]1C ZINC000824949084 608302763 /nfs/dbraw/zinc/30/27/63/608302763.db2.gz WKVFHYPGJPVCLM-NXEZZACHSA-N -1 3 368.363 3.395 20 0 FGADHM CSCCCC(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000826228495 608305621 /nfs/dbraw/zinc/30/56/21/608305621.db2.gz QTHSOBZBLLDSEF-UHFFFAOYSA-N -1 3 367.478 3.293 20 0 FGADHM CSCCCC(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000826228495 608305623 /nfs/dbraw/zinc/30/56/23/608305623.db2.gz QTHSOBZBLLDSEF-UHFFFAOYSA-N -1 3 367.478 3.293 20 0 FGADHM Cc1cc(C)c(CC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)c(C)c1 ZINC000826262982 608318493 /nfs/dbraw/zinc/31/84/93/608318493.db2.gz GTLSWOFKZPEWTP-UHFFFAOYSA-N -1 3 361.449 3.140 20 0 FGADHM Cc1cc(C)c(CC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)c(C)c1 ZINC000826262982 608318495 /nfs/dbraw/zinc/31/84/95/608318495.db2.gz GTLSWOFKZPEWTP-UHFFFAOYSA-N -1 3 361.449 3.140 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1CNc1ccc(OCC(F)F)cc1 ZINC000826170766 608320834 /nfs/dbraw/zinc/32/08/34/608320834.db2.gz OXHNCFVNPAHCEH-UHFFFAOYSA-N -1 3 361.352 3.131 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1CNc1ccc(OCC(F)F)cc1 ZINC000826170766 608320836 /nfs/dbraw/zinc/32/08/36/608320836.db2.gz OXHNCFVNPAHCEH-UHFFFAOYSA-N -1 3 361.352 3.131 20 0 FGADHM C[C@H](COCc1ccccc1)OC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000824442428 608332695 /nfs/dbraw/zinc/33/26/95/608332695.db2.gz VZPFGOYRHNMKMB-QYMJWVLRSA-N -1 3 364.405 3.028 20 0 FGADHM C[C@H](COCc1ccccc1)OC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000824442428 608332696 /nfs/dbraw/zinc/33/26/96/608332696.db2.gz VZPFGOYRHNMKMB-QYMJWVLRSA-N -1 3 364.405 3.028 20 0 FGADHM CCN(C(=O)c1cccc(F)c1F)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825385615 608347192 /nfs/dbraw/zinc/34/71/92/608347192.db2.gz NUNXXMFCTRUOTR-UHFFFAOYSA-N -1 3 363.755 3.465 20 0 FGADHM CCN(C(=O)c1cccc(F)c1F)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825385615 608347194 /nfs/dbraw/zinc/34/71/94/608347194.db2.gz NUNXXMFCTRUOTR-UHFFFAOYSA-N -1 3 363.755 3.465 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)[C@H](SC)c1ccccc1 ZINC000826171384 608360143 /nfs/dbraw/zinc/36/01/43/608360143.db2.gz LUGWLJTZHJQYSO-MRXNPFEDSA-N -1 3 370.434 3.023 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)[C@H](SC)c1ccccc1 ZINC000826171384 608360145 /nfs/dbraw/zinc/36/01/45/608360145.db2.gz LUGWLJTZHJQYSO-MRXNPFEDSA-N -1 3 370.434 3.023 20 0 FGADHM COC(=O)[C@H](N[C@@H](C)c1ccccc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000736898714 608391308 /nfs/dbraw/zinc/39/13/08/608391308.db2.gz WJUWMVUZDKZSDA-MEDUHNTESA-N -1 3 371.828 3.085 20 0 FGADHM COC(=O)[C@H](N[C@@H](C)c1ccccc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000736898714 608391311 /nfs/dbraw/zinc/39/13/11/608391311.db2.gz WJUWMVUZDKZSDA-MEDUHNTESA-N -1 3 371.828 3.085 20 0 FGADHM CC(C)CCCNC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824244394 608391463 /nfs/dbraw/zinc/39/14/63/608391463.db2.gz RAPXMNWCAIPWNY-UHFFFAOYSA-N -1 3 354.458 3.102 20 0 FGADHM CC(C)CCCNC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824244394 608391465 /nfs/dbraw/zinc/39/14/65/608391465.db2.gz RAPXMNWCAIPWNY-UHFFFAOYSA-N -1 3 354.458 3.102 20 0 FGADHM C[C@@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(=O)c1c[nH]c2ncccc12 ZINC000824753091 608397715 /nfs/dbraw/zinc/39/77/15/608397715.db2.gz CBQBGTGZMWHPEJ-SECBINFHSA-N -1 3 368.397 3.246 20 0 FGADHM C[C@@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(=O)c1c[nH]c2ncccc12 ZINC000824753091 608397717 /nfs/dbraw/zinc/39/77/17/608397717.db2.gz CBQBGTGZMWHPEJ-SECBINFHSA-N -1 3 368.397 3.246 20 0 FGADHM C[C@H](NC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1)c1ccccc1Cl ZINC000826232069 608424210 /nfs/dbraw/zinc/42/42/10/608424210.db2.gz JNKQRHPQRZPYEO-LBPRGKRZSA-N -1 3 370.844 3.423 20 0 FGADHM C[C@H](NC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1)c1ccccc1Cl ZINC000826232069 608424212 /nfs/dbraw/zinc/42/42/12/608424212.db2.gz JNKQRHPQRZPYEO-LBPRGKRZSA-N -1 3 370.844 3.423 20 0 FGADHM Cc1ccc2cc(C(=O)OCc3cccc(-c4nnn[n-]4)c3F)[nH]c2c1 ZINC000826294779 608435009 /nfs/dbraw/zinc/43/50/09/608435009.db2.gz BYAXDPGNHIAVJC-UHFFFAOYSA-N -1 3 351.341 3.153 20 0 FGADHM Cc1ccc2cc(C(=O)OCc3cccc(-c4nn[n-]n4)c3F)[nH]c2c1 ZINC000826294779 608435011 /nfs/dbraw/zinc/43/50/11/608435011.db2.gz BYAXDPGNHIAVJC-UHFFFAOYSA-N -1 3 351.341 3.153 20 0 FGADHM CC(C)(C)c1nnc(N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)s1 ZINC000824142074 608441447 /nfs/dbraw/zinc/44/14/47/608441447.db2.gz RTIFEXSKTMLHLK-UHFFFAOYSA-N -1 3 367.482 3.309 20 0 FGADHM CC(C)(C)c1nnc(N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)s1 ZINC000824142074 608441449 /nfs/dbraw/zinc/44/14/49/608441449.db2.gz RTIFEXSKTMLHLK-UHFFFAOYSA-N -1 3 367.482 3.309 20 0 FGADHM CC(C)Oc1ccccc1CC(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000824333258 608445915 /nfs/dbraw/zinc/44/59/15/608445915.db2.gz HEJVGLYROVEGNN-UHFFFAOYSA-N -1 3 370.384 3.079 20 0 FGADHM CC(C)Oc1ccccc1CC(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000824333258 608445916 /nfs/dbraw/zinc/44/59/16/608445916.db2.gz HEJVGLYROVEGNN-UHFFFAOYSA-N -1 3 370.384 3.079 20 0 FGADHM CC[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)cn1)c1ccc(Cl)cc1F ZINC000825153877 608455775 /nfs/dbraw/zinc/45/57/75/608455775.db2.gz KUBIIUOMGPWFOQ-CQSZACIVSA-N -1 3 361.764 3.362 20 0 FGADHM CC[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)cn1)c1ccc(Cl)cc1F ZINC000825153877 608455776 /nfs/dbraw/zinc/45/57/76/608455776.db2.gz KUBIIUOMGPWFOQ-CQSZACIVSA-N -1 3 361.764 3.362 20 0 FGADHM FC(F)Oc1cc(-c2nn[n-]n2)ccc1CN1CCC[C@@H]1c1ccncc1 ZINC000826369513 608457385 /nfs/dbraw/zinc/45/73/85/608457385.db2.gz GCLKHTHXXILNFN-OAHLLOKOSA-N -1 3 372.379 3.200 20 0 FGADHM c1cc(C2=CCN(Cc3noc4c3CCCC4)CC2)ccc1-c1nn[n-]n1 ZINC000823868406 608459045 /nfs/dbraw/zinc/45/90/45/608459045.db2.gz ZULCZYJIKXLISD-UHFFFAOYSA-N -1 3 362.437 3.023 20 0 FGADHM Cc1ccccc1-c1noc(CN[C@H](C)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826305295 608460304 /nfs/dbraw/zinc/46/03/04/608460304.db2.gz QXXQKDQAJOJMDV-CYBMUJFWSA-N -1 3 361.409 3.076 20 0 FGADHM Cc1ccccc1-c1noc(CN[C@H](C)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826305295 608460306 /nfs/dbraw/zinc/46/03/06/608460306.db2.gz QXXQKDQAJOJMDV-CYBMUJFWSA-N -1 3 361.409 3.076 20 0 FGADHM Clc1ncccc1CN1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826353914 608462665 /nfs/dbraw/zinc/46/26/65/608462665.db2.gz JARWRKAIYISRBR-UHFFFAOYSA-N -1 3 352.829 3.204 20 0 FGADHM CCc1nc(CN2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)cs1 ZINC000825745130 608465945 /nfs/dbraw/zinc/46/59/45/608465945.db2.gz IMOSLVSZSWHDQZ-UHFFFAOYSA-N -1 3 352.467 3.175 20 0 FGADHM CCc1nc(CN2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)cs1 ZINC000825745130 608465947 /nfs/dbraw/zinc/46/59/47/608465947.db2.gz IMOSLVSZSWHDQZ-UHFFFAOYSA-N -1 3 352.467 3.175 20 0 FGADHM Cc1cccc(-c2noc(CN[C@H](C)c3ccc(-c4nnn[n-]4)cc3)n2)c1 ZINC000826295401 608468186 /nfs/dbraw/zinc/46/81/86/608468186.db2.gz FYZRXYLMHBARDK-CYBMUJFWSA-N -1 3 361.409 3.076 20 0 FGADHM Cc1cccc(-c2noc(CN[C@H](C)c3ccc(-c4nn[n-]n4)cc3)n2)c1 ZINC000826295401 608468188 /nfs/dbraw/zinc/46/81/88/608468188.db2.gz FYZRXYLMHBARDK-CYBMUJFWSA-N -1 3 361.409 3.076 20 0 FGADHM C[C@H](NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1ccccc1Cl ZINC000820385093 608473715 /nfs/dbraw/zinc/47/37/15/608473715.db2.gz PBABXSBUFCWKNA-QMMMGPOBSA-N -1 3 363.755 3.289 20 0 FGADHM C[C@H](NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccccc1Cl ZINC000820385093 608473717 /nfs/dbraw/zinc/47/37/17/608473717.db2.gz PBABXSBUFCWKNA-QMMMGPOBSA-N -1 3 363.755 3.289 20 0 FGADHM CC(C)(C)SCCCOC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000824123311 608475567 /nfs/dbraw/zinc/47/55/67/608475567.db2.gz DDVVGFPHERVWMK-UHFFFAOYSA-N -1 3 356.398 3.224 20 0 FGADHM CC(C)(C)SCCCOC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000824123311 608475569 /nfs/dbraw/zinc/47/55/69/608475569.db2.gz DDVVGFPHERVWMK-UHFFFAOYSA-N -1 3 356.398 3.224 20 0 FGADHM C[C@@H]1CCC[C@@H](C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)C1 ZINC000824928185 608481414 /nfs/dbraw/zinc/48/14/14/608481414.db2.gz RYXIRGNMDSURPF-RDTXWAMCSA-N -1 3 351.454 3.309 20 0 FGADHM C[C@@H]1CCC[C@@H](C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC000824928185 608481416 /nfs/dbraw/zinc/48/14/16/608481416.db2.gz RYXIRGNMDSURPF-RDTXWAMCSA-N -1 3 351.454 3.309 20 0 FGADHM c1nc(C2CC2)sc1CN(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000826513315 608520058 /nfs/dbraw/zinc/52/00/58/608520058.db2.gz HZLCWKXWLWBYGU-UHFFFAOYSA-N -1 3 352.467 3.365 20 0 FGADHM CC1(Nc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)Cc2ccccc2C1 ZINC000824838468 608556089 /nfs/dbraw/zinc/55/60/89/608556089.db2.gz PXARUGMARJLLGZ-UHFFFAOYSA-N -1 3 360.343 3.250 20 0 FGADHM CC1(Nc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)Cc2ccccc2C1 ZINC000824838468 608556091 /nfs/dbraw/zinc/55/60/91/608556091.db2.gz PXARUGMARJLLGZ-UHFFFAOYSA-N -1 3 360.343 3.250 20 0 FGADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc(-c2ccc[nH]2)cc1 ZINC000824738853 608559855 /nfs/dbraw/zinc/55/98/55/608559855.db2.gz SIEQGCIQKJDKHQ-CYBMUJFWSA-N -1 3 374.404 3.268 20 0 FGADHM CC(C)CN(Cc1coc(C2CC2)n1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000824262223 608567879 /nfs/dbraw/zinc/56/78/79/608567879.db2.gz YJWKCIKVKRGLTB-UHFFFAOYSA-N -1 3 352.442 3.390 20 0 FGADHM CC(C)=C[C@@H]1[C@H](C(=O)Nc2nc3c(cc2-c2nnn[n-]2)CCCC3)C1(C)C ZINC000824178593 608569331 /nfs/dbraw/zinc/56/93/31/608569331.db2.gz ZBDWIIBSECLKNE-GDBMZVCRSA-N -1 3 366.469 3.317 20 0 FGADHM CC(C)=C[C@@H]1[C@H](C(=O)Nc2nc3c(cc2-c2nn[n-]n2)CCCC3)C1(C)C ZINC000824178593 608569333 /nfs/dbraw/zinc/56/93/33/608569333.db2.gz ZBDWIIBSECLKNE-GDBMZVCRSA-N -1 3 366.469 3.317 20 0 FGADHM C[C@@H](NC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)c1ccc(F)c(F)c1 ZINC000824523398 608573045 /nfs/dbraw/zinc/57/30/45/608573045.db2.gz ZXSZHZDIAJXUSV-MRVPVSSYSA-N -1 3 363.755 3.289 20 0 FGADHM C[C@@H](NC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)c1ccc(F)c(F)c1 ZINC000824523398 608573046 /nfs/dbraw/zinc/57/30/46/608573046.db2.gz ZXSZHZDIAJXUSV-MRVPVSSYSA-N -1 3 363.755 3.289 20 0 FGADHM O=C(c1ccc(Cl)c(-c2nnn[n-]2)c1)N(Cc1cccs1)C1CC1 ZINC000826473395 608576132 /nfs/dbraw/zinc/57/61/32/608576132.db2.gz WOEVCAASRJOUJA-UHFFFAOYSA-N -1 3 359.842 3.386 20 0 FGADHM O=C(c1ccc(Cl)c(-c2nn[n-]n2)c1)N(Cc1cccs1)C1CC1 ZINC000826473395 608576133 /nfs/dbraw/zinc/57/61/33/608576133.db2.gz WOEVCAASRJOUJA-UHFFFAOYSA-N -1 3 359.842 3.386 20 0 FGADHM CC[C@H](C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(OC)cc1 ZINC000825039550 608587069 /nfs/dbraw/zinc/58/70/69/608587069.db2.gz TXMWHLCHKFXJHS-AWEZNQCLSA-N -1 3 355.373 3.147 20 0 FGADHM CC[C@H](C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(OC)cc1 ZINC000825039550 608587071 /nfs/dbraw/zinc/58/70/71/608587071.db2.gz TXMWHLCHKFXJHS-AWEZNQCLSA-N -1 3 355.373 3.147 20 0 FGADHM O=C(c1cccc(-c2nnn[n-]2)c1)N1CC=C(c2ccccc2Cl)CC1 ZINC000826473756 608601985 /nfs/dbraw/zinc/60/19/85/608601985.db2.gz MZJCXGSIQYYZQG-UHFFFAOYSA-N -1 3 365.824 3.450 20 0 FGADHM O=C(c1cccc(-c2nn[n-]n2)c1)N1CC=C(c2ccccc2Cl)CC1 ZINC000826473756 608601987 /nfs/dbraw/zinc/60/19/87/608601987.db2.gz MZJCXGSIQYYZQG-UHFFFAOYSA-N -1 3 365.824 3.450 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)s1)[C@H](C)C(=O)Nc1ccccc1 ZINC000825323380 608657293 /nfs/dbraw/zinc/65/72/93/608657293.db2.gz VFMNQOZTDBFWCT-CYBMUJFWSA-N -1 3 370.482 3.167 20 0 FGADHM Clc1ccccc1[C@@H]1CN(Cc2cc(-c3nnn[n-]3)cs2)CCO1 ZINC000826353219 608678542 /nfs/dbraw/zinc/67/85/42/608678542.db2.gz GTEKNUVZGNRELP-HNNXBMFYSA-N -1 3 361.858 3.155 20 0 FGADHM Clc1ccccc1[C@@H]1CN(Cc2cc(-c3nn[n-]n3)cs2)CCO1 ZINC000826353219 608678544 /nfs/dbraw/zinc/67/85/44/608678544.db2.gz GTEKNUVZGNRELP-HNNXBMFYSA-N -1 3 361.858 3.155 20 0 FGADHM Cc1ccccc1[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)s2)[C@@H](C)CO1 ZINC000826306870 608721892 /nfs/dbraw/zinc/72/18/92/608721892.db2.gz OGKFJELKNNKAEK-BBRMVZONSA-N -1 3 355.467 3.199 20 0 FGADHM Cc1ccccc1[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)[C@@H](C)CO1 ZINC000826306870 608721896 /nfs/dbraw/zinc/72/18/96/608721896.db2.gz OGKFJELKNNKAEK-BBRMVZONSA-N -1 3 355.467 3.199 20 0 FGADHM CC[C@@H](c1ccccc1)N(CC(=O)OC)Cc1ccc(-c2nnn[n-]2)s1 ZINC000825158990 608743592 /nfs/dbraw/zinc/74/35/92/608743592.db2.gz GPMZCIXCUOGXBF-HNNXBMFYSA-N -1 3 371.466 3.055 20 0 FGADHM COC(=O)[C@@H](N[C@H](C)c1cc(C)sc1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826111327 608753332 /nfs/dbraw/zinc/75/33/32/608753332.db2.gz CXFXXHHWIIIFRH-BZNIZROVSA-N -1 3 371.466 3.110 20 0 FGADHM COC(=O)[C@@H](N[C@H](C)c1cc(C)sc1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826111327 608753334 /nfs/dbraw/zinc/75/33/34/608753334.db2.gz CXFXXHHWIIIFRH-BZNIZROVSA-N -1 3 371.466 3.110 20 0 FGADHM Cc1csc(=Nc2ccccc2-c2nnn[n-]2)n1[C@H]1CCO[C@H](C)C1 ZINC000826320459 608754426 /nfs/dbraw/zinc/75/44/26/608754426.db2.gz RLDKTXJKXUWUEH-OLZOCXBDSA-N -1 3 356.455 3.011 20 0 FGADHM Cc1csc(=Nc2ccccc2-c2nn[n-]n2)n1[C@H]1CCO[C@H](C)C1 ZINC000826320459 608754429 /nfs/dbraw/zinc/75/44/29/608754429.db2.gz RLDKTXJKXUWUEH-OLZOCXBDSA-N -1 3 356.455 3.011 20 0 FGADHM c1ccc2sc([C@@H]3CCCN(c4cnccc4-c4nnn[n-]4)C3)nc2c1 ZINC000826524298 608770187 /nfs/dbraw/zinc/77/01/87/608770187.db2.gz PTXUWFHFHBIJCA-GFCCVEGCSA-N -1 3 363.450 3.255 20 0 FGADHM c1ccc2sc([C@@H]3CCCN(c4cnccc4-c4nn[n-]n4)C3)nc2c1 ZINC000826524298 608770188 /nfs/dbraw/zinc/77/01/88/608770188.db2.gz PTXUWFHFHBIJCA-GFCCVEGCSA-N -1 3 363.450 3.255 20 0 FGADHM CC1CCC(Oc2cc(CNc3cnccc3-c3nnn[n-]3)ccn2)CC1 ZINC000824919339 608783489 /nfs/dbraw/zinc/78/34/89/608783489.db2.gz UBFRFWMLGGRFCO-UHFFFAOYSA-N -1 3 365.441 3.226 20 0 FGADHM CC1CCC(Oc2cc(CNc3cnccc3-c3nn[n-]n3)ccn2)CC1 ZINC000824919339 608783490 /nfs/dbraw/zinc/78/34/90/608783490.db2.gz UBFRFWMLGGRFCO-UHFFFAOYSA-N -1 3 365.441 3.226 20 0 FGADHM Cc1cc([C@H](C)NC(=O)c2ncc(-c3nnn[n-]3)cc2Cl)c(C)s1 ZINC000826261399 608829586 /nfs/dbraw/zinc/82/95/86/608829586.db2.gz DFBPKNQMRRWPCH-QMMMGPOBSA-N -1 3 362.846 3.084 20 0 FGADHM Cc1cc([C@H](C)NC(=O)c2ncc(-c3nn[n-]n3)cc2Cl)c(C)s1 ZINC000826261399 608829588 /nfs/dbraw/zinc/82/95/88/608829588.db2.gz DFBPKNQMRRWPCH-QMMMGPOBSA-N -1 3 362.846 3.084 20 0 FGADHM Fc1ccc(/C=C/CN2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)cc1 ZINC000826374004 608854390 /nfs/dbraw/zinc/85/43/90/608854390.db2.gz HUGDYLYEQHAKLT-LSTKMXGYSA-N -1 3 365.412 3.093 20 0 FGADHM Fc1ccc(/C=C/CN2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)cc1 ZINC000826374004 608854393 /nfs/dbraw/zinc/85/43/93/608854393.db2.gz HUGDYLYEQHAKLT-LSTKMXGYSA-N -1 3 365.412 3.093 20 0 FGADHM Cc1c(C(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)cnn1CC(C)C ZINC000826234567 609154954 /nfs/dbraw/zinc/15/49/54/609154954.db2.gz CRRZEKWHEACUPL-UHFFFAOYSA-N -1 3 374.832 3.038 20 0 FGADHM Cc1c(C(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)cnn1CC(C)C ZINC000826234567 609154956 /nfs/dbraw/zinc/15/49/56/609154956.db2.gz CRRZEKWHEACUPL-UHFFFAOYSA-N -1 3 374.832 3.038 20 0 FGADHM Cc1cc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)nn1-c1ccc(C)cc1 ZINC000826281251 609180866 /nfs/dbraw/zinc/18/08/66/609180866.db2.gz KVHYEZQTEDFCOE-UHFFFAOYSA-N -1 3 373.420 3.230 20 0 FGADHM Cc1cc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)nn1-c1ccc(C)cc1 ZINC000826281251 609180868 /nfs/dbraw/zinc/18/08/68/609180868.db2.gz KVHYEZQTEDFCOE-UHFFFAOYSA-N -1 3 373.420 3.230 20 0 FGADHM Cc1cccc([C@H]2CCCCN2C(=O)c2c[nH]c(-c3nnn[n-]3)c2)c1C ZINC000826298027 609220506 /nfs/dbraw/zinc/22/05/06/609220506.db2.gz ZQVVCRVQZWZESH-QGZVFWFLSA-N -1 3 350.426 3.179 20 0 FGADHM Cc1cccc([C@H]2CCCCN2C(=O)c2c[nH]c(-c3nn[n-]n3)c2)c1C ZINC000826298027 609220507 /nfs/dbraw/zinc/22/05/07/609220507.db2.gz ZQVVCRVQZWZESH-QGZVFWFLSA-N -1 3 350.426 3.179 20 0 FGADHM CC[C@@H](C)Oc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)ccn1 ZINC000825074012 609237188 /nfs/dbraw/zinc/23/71/88/609237188.db2.gz CJNRYLYAPNVTJD-SNVBAGLBSA-N -1 3 372.816 3.345 20 0 FGADHM CC[C@@H](C)Oc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)ccn1 ZINC000825074012 609237190 /nfs/dbraw/zinc/23/71/90/609237190.db2.gz CJNRYLYAPNVTJD-SNVBAGLBSA-N -1 3 372.816 3.345 20 0 FGADHM O=C(NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)c1cccc(O)c1 ZINC000826441166 609261685 /nfs/dbraw/zinc/26/16/85/609261685.db2.gz QRJJGFJNFUJIOP-UHFFFAOYSA-N -1 3 371.400 3.169 20 0 FGADHM O=C(NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)c1cccc(O)c1 ZINC000826441166 609261687 /nfs/dbraw/zinc/26/16/87/609261687.db2.gz QRJJGFJNFUJIOP-UHFFFAOYSA-N -1 3 371.400 3.169 20 0 FGADHM C[C@H](Nc1cnn(Cc2ccccc2)c1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824663306 609268955 /nfs/dbraw/zinc/26/89/55/609268955.db2.gz XXUFIBSXDSTOQS-ZDUSSCGKSA-N -1 3 363.400 3.424 20 0 FGADHM C[C@H](Nc1cnn(Cc2ccccc2)c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824663306 609268956 /nfs/dbraw/zinc/26/89/56/609268956.db2.gz XXUFIBSXDSTOQS-ZDUSSCGKSA-N -1 3 363.400 3.424 20 0 FGADHM CCCNC(=O)c1cccc(N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000825332133 609273883 /nfs/dbraw/zinc/27/38/83/609273883.db2.gz FBKQFYPQWAIXGN-ZDUSSCGKSA-N -1 3 350.426 3.180 20 0 FGADHM CCCNC(=O)c1cccc(N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000825332133 609273884 /nfs/dbraw/zinc/27/38/84/609273884.db2.gz FBKQFYPQWAIXGN-ZDUSSCGKSA-N -1 3 350.426 3.180 20 0 FGADHM C[C@@H](Nc1ccc(N2CCO[C@@H](C)C2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824992247 609279833 /nfs/dbraw/zinc/27/98/33/609279833.db2.gz LCJVHCYQVPJJOA-LSDHHAIUSA-N -1 3 364.453 3.265 20 0 FGADHM C[C@@H](Nc1ccc(N2CCO[C@@H](C)C2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824992247 609279835 /nfs/dbraw/zinc/27/98/35/609279835.db2.gz LCJVHCYQVPJJOA-LSDHHAIUSA-N -1 3 364.453 3.265 20 0 FGADHM CC(C)(C)OC(=O)[C@@H](NCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000824114363 609281374 /nfs/dbraw/zinc/28/13/74/609281374.db2.gz PXKYCFZJMGSWHD-KRWDZBQOSA-N -1 3 365.437 3.039 20 0 FGADHM CC(C)(C)OC(=O)[C@@H](NCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000824114363 609281376 /nfs/dbraw/zinc/28/13/76/609281376.db2.gz PXKYCFZJMGSWHD-KRWDZBQOSA-N -1 3 365.437 3.039 20 0 FGADHM CC(C)Oc1ccccc1CNC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000824334525 609297785 /nfs/dbraw/zinc/29/77/85/609297785.db2.gz XARYVXNAWLQIJU-UHFFFAOYSA-N -1 3 371.828 3.237 20 0 FGADHM CC(C)Oc1ccccc1CNC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000824334525 609297787 /nfs/dbraw/zinc/29/77/87/609297787.db2.gz XARYVXNAWLQIJU-UHFFFAOYSA-N -1 3 371.828 3.237 20 0 FGADHM CCOc1ccc(OC)cc1NC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000825643730 609299937 /nfs/dbraw/zinc/29/99/37/609299937.db2.gz SLFYDJNLTNUBEO-UHFFFAOYSA-N -1 3 373.800 3.180 20 0 FGADHM CCOc1ccc(OC)cc1NC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000825643730 609299938 /nfs/dbraw/zinc/29/99/38/609299938.db2.gz SLFYDJNLTNUBEO-UHFFFAOYSA-N -1 3 373.800 3.180 20 0 FGADHM CCN(C(=O)[C@@H](F)Cc1ccccc1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367738 609312411 /nfs/dbraw/zinc/31/24/11/609312411.db2.gz VJCLNPOOSMZILI-KSSFIOAISA-N -1 3 367.428 3.357 20 0 FGADHM CCN(C(=O)[C@@H](F)Cc1ccccc1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367738 609312413 /nfs/dbraw/zinc/31/24/13/609312413.db2.gz VJCLNPOOSMZILI-KSSFIOAISA-N -1 3 367.428 3.357 20 0 FGADHM CCN(C(=O)[C@H](F)Cc1ccccc1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367739 609312498 /nfs/dbraw/zinc/31/24/98/609312498.db2.gz VJCLNPOOSMZILI-RDTXWAMCSA-N -1 3 367.428 3.357 20 0 FGADHM CCN(C(=O)[C@H](F)Cc1ccccc1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367739 609312500 /nfs/dbraw/zinc/31/25/00/609312500.db2.gz VJCLNPOOSMZILI-RDTXWAMCSA-N -1 3 367.428 3.357 20 0 FGADHM CCN(C(=O)[C@@H](F)Cc1ccccc1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367737 609312709 /nfs/dbraw/zinc/31/27/09/609312709.db2.gz VJCLNPOOSMZILI-KDOFPFPSSA-N -1 3 367.428 3.357 20 0 FGADHM CCN(C(=O)[C@@H](F)Cc1ccccc1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367737 609312711 /nfs/dbraw/zinc/31/27/11/609312711.db2.gz VJCLNPOOSMZILI-KDOFPFPSSA-N -1 3 367.428 3.357 20 0 FGADHM CC(C)(C)CNC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000824093847 609313791 /nfs/dbraw/zinc/31/37/91/609313791.db2.gz MYEPSXDEFYKDNK-UHFFFAOYSA-N -1 3 351.410 3.435 20 0 FGADHM CC(C)(C)CNC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000824093847 609313792 /nfs/dbraw/zinc/31/37/92/609313792.db2.gz MYEPSXDEFYKDNK-UHFFFAOYSA-N -1 3 351.410 3.435 20 0 FGADHM CCc1ccc(CNc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)s1 ZINC000825712736 609319713 /nfs/dbraw/zinc/31/97/13/609319713.db2.gz WORAWBNIKJKSJX-UHFFFAOYSA-N -1 3 369.429 3.428 20 0 FGADHM CCC(CC)[C@H]1C[C@@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)CCO1 ZINC000825106622 609322425 /nfs/dbraw/zinc/32/24/25/609322425.db2.gz GSVIPXHBDZQOPX-GXTWGEPZSA-N -1 3 350.854 3.311 20 0 FGADHM CCC(CC)[C@H]1C[C@@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)CCO1 ZINC000825106622 609322426 /nfs/dbraw/zinc/32/24/26/609322426.db2.gz GSVIPXHBDZQOPX-GXTWGEPZSA-N -1 3 350.854 3.311 20 0 FGADHM COc1cccc2[nH]cc(CCNc3ccc(-c4nn[n-]n4)cc3F)c21 ZINC000826217486 609324562 /nfs/dbraw/zinc/32/45/62/609324562.db2.gz OQCPLELPFFXDDB-UHFFFAOYSA-N -1 3 352.373 3.150 20 0 FGADHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(N(C)C[C@H]3CCCC[C@H]3O)c2c1 ZINC000826263704 609324581 /nfs/dbraw/zinc/32/45/81/609324581.db2.gz MXJHDVABZWUKGA-RHSMWYFYSA-N -1 3 366.469 3.019 20 0 FGADHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(N(C)C[C@H]3CCCC[C@H]3O)c2c1 ZINC000826263704 609324583 /nfs/dbraw/zinc/32/45/83/609324583.db2.gz MXJHDVABZWUKGA-RHSMWYFYSA-N -1 3 366.469 3.019 20 0 FGADHM COc1cccc2[nH]cc(CCNc3ncc(-c4nnn[n-]4)cc3Cl)c21 ZINC000826218222 609324745 /nfs/dbraw/zinc/32/47/45/609324745.db2.gz UCFGBECDYRTYTL-UHFFFAOYSA-N -1 3 369.816 3.060 20 0 FGADHM COc1cccc2[nH]cc(CCNc3ncc(-c4nn[n-]n4)cc3Cl)c21 ZINC000826218222 609324747 /nfs/dbraw/zinc/32/47/47/609324747.db2.gz UCFGBECDYRTYTL-UHFFFAOYSA-N -1 3 369.816 3.060 20 0 FGADHM Cc1nnc(N2CCC[C@@H](c3ccc(F)cc3)CC2)c(-c2nnn[n-]2)c1C ZINC000826335822 609326542 /nfs/dbraw/zinc/32/65/42/609326542.db2.gz CQNYJYKMPZDSIP-CQSZACIVSA-N -1 3 367.432 3.187 20 0 FGADHM Cc1nnc(N2CCC[C@@H](c3ccc(F)cc3)CC2)c(-c2nn[n-]n2)c1C ZINC000826335822 609326544 /nfs/dbraw/zinc/32/65/44/609326544.db2.gz CQNYJYKMPZDSIP-CQSZACIVSA-N -1 3 367.432 3.187 20 0 FGADHM C[C@H](NCc1ccn(-c2ccccc2)n1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824627035 609331228 /nfs/dbraw/zinc/33/12/28/609331228.db2.gz SOFGDCDISGAIHA-ZDUSSCGKSA-N -1 3 363.400 3.042 20 0 FGADHM C[C@H](NCc1ccn(-c2ccccc2)n1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824627035 609331230 /nfs/dbraw/zinc/33/12/30/609331230.db2.gz SOFGDCDISGAIHA-ZDUSSCGKSA-N -1 3 363.400 3.042 20 0 FGADHM Cc1ccc2c(c1C)OC[C@H]2N[C@H](C)c1ccc(-c2nnn[n-]2)cc1F ZINC000826293861 609342103 /nfs/dbraw/zinc/34/21/03/609342103.db2.gz CWAWNMMRCDFRKN-SJKOYZFVSA-N -1 3 353.401 3.407 20 0 FGADHM Cc1ccc2c(c1C)OC[C@H]2N[C@H](C)c1ccc(-c2nn[n-]n2)cc1F ZINC000826293861 609342105 /nfs/dbraw/zinc/34/21/05/609342105.db2.gz CWAWNMMRCDFRKN-SJKOYZFVSA-N -1 3 353.401 3.407 20 0 FGADHM C[C@H](NC1(c2ccc3c(c2)OCO3)CC1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824540462 609347152 /nfs/dbraw/zinc/34/71/52/609347152.db2.gz YLIKBJBQKGTVKB-NSHDSACASA-N -1 3 367.384 3.074 20 0 FGADHM CC1=C(C(=O)OCc2ccc(-c3nnn[n-]3)cc2Br)CCC1 ZINC000824851957 609347745 /nfs/dbraw/zinc/34/77/45/609347745.db2.gz GLLLPEGQKAOWEO-UHFFFAOYSA-N -1 3 363.215 3.173 20 0 FGADHM CC1=C(C(=O)OCc2ccc(-c3nn[n-]n3)cc2Br)CCC1 ZINC000824851957 609347747 /nfs/dbraw/zinc/34/77/47/609347747.db2.gz GLLLPEGQKAOWEO-UHFFFAOYSA-N -1 3 363.215 3.173 20 0 FGADHM CCNC(=O)c1ccc(C)c(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000825476436 609349832 /nfs/dbraw/zinc/34/98/32/609349832.db2.gz JZEPWSKEOWBXOL-LBPRGKRZSA-N -1 3 368.416 3.237 20 0 FGADHM CCNC(=O)c1ccc(C)c(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000825476436 609349833 /nfs/dbraw/zinc/34/98/33/609349833.db2.gz JZEPWSKEOWBXOL-LBPRGKRZSA-N -1 3 368.416 3.237 20 0 FGADHM CC(C)S[C@H]1CCCC[C@@H]1OC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000824337757 609364941 /nfs/dbraw/zinc/36/49/41/609364941.db2.gz FYJMATXSMYLANN-HOTGVXAUSA-N -1 3 360.483 3.405 20 0 FGADHM CC(C)S[C@H]1CCCC[C@@H]1OC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000824337757 609364943 /nfs/dbraw/zinc/36/49/43/609364943.db2.gz FYJMATXSMYLANN-HOTGVXAUSA-N -1 3 360.483 3.405 20 0 FGADHM CC(C)[C@@H]1C[C@@H](CC(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)CCO1 ZINC000824215879 609372143 /nfs/dbraw/zinc/37/21/43/609372143.db2.gz NNMRKIWIAMOUHW-NHYWBVRUSA-N -1 3 363.849 3.300 20 0 FGADHM CC(C)[C@@H]1C[C@@H](CC(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)CCO1 ZINC000824215879 609372144 /nfs/dbraw/zinc/37/21/44/609372144.db2.gz NNMRKIWIAMOUHW-NHYWBVRUSA-N -1 3 363.849 3.300 20 0 FGADHM CC1(C)CC[C@@H](C(=O)N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC000824796920 609379932 /nfs/dbraw/zinc/37/99/32/609379932.db2.gz UTWDVTSFRNHPQK-OAHLLOKOSA-N -1 3 369.469 3.063 20 0 FGADHM CC[C@H]1C[C@@H](CC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(C)C)CCO1 ZINC000825182951 609379960 /nfs/dbraw/zinc/37/99/60/609379960.db2.gz MRDLZDZHGFJPKB-ZFWWWQNUSA-N -1 3 373.457 3.188 20 0 FGADHM CC[C@H]1C[C@@H](CC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(C)C)CCO1 ZINC000825182951 609379962 /nfs/dbraw/zinc/37/99/62/609379962.db2.gz MRDLZDZHGFJPKB-ZFWWWQNUSA-N -1 3 373.457 3.188 20 0 FGADHM O=C(CCCCNc1cccc(F)c1-c1nnn[n-]1)OCc1ccccc1 ZINC000826406016 609391068 /nfs/dbraw/zinc/39/10/68/609391068.db2.gz DRZYHUXNAHBDMG-UHFFFAOYSA-N -1 3 369.400 3.331 20 0 FGADHM O=C(CCCCNc1cccc(F)c1-c1nn[n-]n1)OCc1ccccc1 ZINC000826406016 609391069 /nfs/dbraw/zinc/39/10/69/609391069.db2.gz DRZYHUXNAHBDMG-UHFFFAOYSA-N -1 3 369.400 3.331 20 0 FGADHM CC(C)[C@@H]1C[C@@H](CC(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000824716218 609391621 /nfs/dbraw/zinc/39/16/21/609391621.db2.gz WPZDMXSKNGJASG-ZQIUZPCESA-N -1 3 358.442 3.312 20 0 FGADHM CC(C)[C@@H]1C[C@@H](CC(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000824716218 609391623 /nfs/dbraw/zinc/39/16/23/609391623.db2.gz WPZDMXSKNGJASG-ZQIUZPCESA-N -1 3 358.442 3.312 20 0 FGADHM CC[C@@H]1C[C@H](CC(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)CCO1 ZINC000825184695 609394222 /nfs/dbraw/zinc/39/42/22/609394222.db2.gz YHUCOYYQSAEUSW-DGCLKSJQSA-N -1 3 363.849 3.078 20 0 FGADHM CC[C@@H]1C[C@H](CC(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)CCO1 ZINC000825184695 609394225 /nfs/dbraw/zinc/39/42/25/609394225.db2.gz YHUCOYYQSAEUSW-DGCLKSJQSA-N -1 3 363.849 3.078 20 0 FGADHM CCc1cccc(N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)c1 ZINC000825723229 609410780 /nfs/dbraw/zinc/41/07/80/609410780.db2.gz UZKYYQKPMWGJAB-GOSISDBHSA-N -1 3 362.437 3.037 20 0 FGADHM CCc1cccc(N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)c1 ZINC000825723229 609410783 /nfs/dbraw/zinc/41/07/83/609410783.db2.gz UZKYYQKPMWGJAB-GOSISDBHSA-N -1 3 362.437 3.037 20 0 FGADHM CC(=O)c1ccc(-c2nnn[n-]2)cc1N(C)CCOc1cccc(Cl)c1 ZINC000824014512 609419565 /nfs/dbraw/zinc/41/95/65/609419565.db2.gz KDAVEFOQRGHKQK-UHFFFAOYSA-N -1 3 371.828 3.238 20 0 FGADHM CC(=O)c1ccc(-c2nn[n-]n2)cc1N(C)CCOc1cccc(Cl)c1 ZINC000824014512 609419566 /nfs/dbraw/zinc/41/95/66/609419566.db2.gz KDAVEFOQRGHKQK-UHFFFAOYSA-N -1 3 371.828 3.238 20 0 FGADHM O=C(C[C@@H]1CCCN1c1ncc(-c2nnn[n-]2)cc1Cl)c1ccccc1 ZINC000826404923 609430083 /nfs/dbraw/zinc/43/00/83/609430083.db2.gz QDAVGQVWBNFTJX-AWEZNQCLSA-N -1 3 368.828 3.157 20 0 FGADHM O=C(C[C@@H]1CCCN1c1ncc(-c2nn[n-]n2)cc1Cl)c1ccccc1 ZINC000826404923 609430086 /nfs/dbraw/zinc/43/00/86/609430086.db2.gz QDAVGQVWBNFTJX-AWEZNQCLSA-N -1 3 368.828 3.157 20 0 FGADHM Cc1ccc2[nH]c3c(c2c1)C[C@H](Nc1nc(C)ccc1-c1nnn[n-]1)CC3 ZINC000826293622 609435041 /nfs/dbraw/zinc/43/50/41/609435041.db2.gz WLGHDCRMEINMLQ-CYBMUJFWSA-N -1 3 359.437 3.329 20 0 FGADHM Cc1ccc2[nH]c3c(c2c1)C[C@H](Nc1nc(C)ccc1-c1nn[n-]n1)CC3 ZINC000826293622 609435045 /nfs/dbraw/zinc/43/50/45/609435045.db2.gz WLGHDCRMEINMLQ-CYBMUJFWSA-N -1 3 359.437 3.329 20 0 FGADHM Cc1ccc2[nH]c3c(c2c1)C[C@H](Nc1nnc(C)c(C)c1-c1nnn[n-]1)CC3 ZINC000826293552 609435202 /nfs/dbraw/zinc/43/52/02/609435202.db2.gz TVRXAFFVQKDBHZ-CYBMUJFWSA-N -1 3 374.452 3.033 20 0 FGADHM Cc1ccc2[nH]c3c(c2c1)C[C@H](Nc1nnc(C)c(C)c1-c1nn[n-]n1)CC3 ZINC000826293552 609435204 /nfs/dbraw/zinc/43/52/04/609435204.db2.gz TVRXAFFVQKDBHZ-CYBMUJFWSA-N -1 3 374.452 3.033 20 0 FGADHM Fc1ccc(NCc2ccn(-c3c(F)cccc3F)n2)cc1-c1nnn[n-]1 ZINC000826375328 609438534 /nfs/dbraw/zinc/43/85/34/609438534.db2.gz IYWFBAVBWCDONE-UHFFFAOYSA-N -1 3 371.326 3.082 20 0 FGADHM Fc1ccc(NCc2ccn(-c3c(F)cccc3F)n2)cc1-c1nn[n-]n1 ZINC000826375328 609438536 /nfs/dbraw/zinc/43/85/36/609438536.db2.gz IYWFBAVBWCDONE-UHFFFAOYSA-N -1 3 371.326 3.082 20 0 FGADHM O=C(Nc1ccc(Oc2cccc(F)c2)cc1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826455289 609442838 /nfs/dbraw/zinc/44/28/38/609442838.db2.gz HYBKCBLMGNAMJB-UHFFFAOYSA-N -1 3 364.340 3.379 20 0 FGADHM O=C(Nc1ccc(Oc2cccc(F)c2)cc1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826455289 609442839 /nfs/dbraw/zinc/44/28/39/609442839.db2.gz HYBKCBLMGNAMJB-UHFFFAOYSA-N -1 3 364.340 3.379 20 0 FGADHM CCN(CC)C(=O)[C@H](C)Sc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000825399407 609450313 /nfs/dbraw/zinc/45/03/13/609450313.db2.gz SEBNWOQELUQQIZ-VIFPVBQESA-N -1 3 373.404 3.235 20 0 FGADHM CCN(CC)C(=O)[C@H](C)Sc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000825399407 609450314 /nfs/dbraw/zinc/45/03/14/609450314.db2.gz SEBNWOQELUQQIZ-VIFPVBQESA-N -1 3 373.404 3.235 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NCc1ccc(-n2ccnc2)cc1 ZINC000825631936 609476507 /nfs/dbraw/zinc/47/65/07/609476507.db2.gz JGHYKVQQFVWTMQ-UHFFFAOYSA-N -1 3 361.409 3.063 20 0 FGADHM CCOC(=O)Nc1ccc(NCc2cccc(OC)c2)cc1-c1nnn[n-]1 ZINC000825553458 609490646 /nfs/dbraw/zinc/49/06/46/609490646.db2.gz QMUWYJOGSJMJGL-UHFFFAOYSA-N -1 3 368.397 3.056 20 0 FGADHM CCOC(=O)Nc1ccc(NCc2cccc(OC)c2)cc1-c1nn[n-]n1 ZINC000825553458 609490647 /nfs/dbraw/zinc/49/06/47/609490647.db2.gz QMUWYJOGSJMJGL-UHFFFAOYSA-N -1 3 368.397 3.056 20 0 FGADHM Cc1nn(-c2ccc(-c3nn[n-]n3)cc2)c(NC(=O)[C@H]2CCC[C@@H]2C)c1C ZINC000826331768 609502811 /nfs/dbraw/zinc/50/28/11/609502811.db2.gz XHFQVAKTTNIBCO-ZBEGNZNMSA-N -1 3 365.441 3.044 20 0 FGADHM Cc1ccc(C(F)(F)C(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826284526 609523035 /nfs/dbraw/zinc/52/30/35/609523035.db2.gz WMISUFJGVJPODO-GFCCVEGCSA-N -1 3 357.364 3.144 20 0 FGADHM Cc1ccc(C(F)(F)C(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826284526 609523037 /nfs/dbraw/zinc/52/30/37/609523037.db2.gz WMISUFJGVJPODO-GFCCVEGCSA-N -1 3 357.364 3.144 20 0 FGADHM CCCCN([C@H](C)CC)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000825281851 609538777 /nfs/dbraw/zinc/53/87/77/609538777.db2.gz KOWDWIPGWSMRSX-LLVKDONJSA-N -1 3 371.894 3.109 20 0 FGADHM CCCCN([C@H](C)CC)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000825281851 609538778 /nfs/dbraw/zinc/53/87/78/609538778.db2.gz KOWDWIPGWSMRSX-LLVKDONJSA-N -1 3 371.894 3.109 20 0 FGADHM Cc1ccnc(N(C)C[C@@H]2CCCO[C@@H]2c2ccccc2)c1-c1nnn[n-]1 ZINC000826309661 609543152 /nfs/dbraw/zinc/54/31/52/609543152.db2.gz XENKTJVKFDCZHV-FUHWJXTLSA-N -1 3 364.453 3.174 20 0 FGADHM Cc1ccnc(N(C)C[C@@H]2CCCO[C@@H]2c2ccccc2)c1-c1nn[n-]n1 ZINC000826309661 609543153 /nfs/dbraw/zinc/54/31/53/609543153.db2.gz XENKTJVKFDCZHV-FUHWJXTLSA-N -1 3 364.453 3.174 20 0 FGADHM Cc1c(Cl)cnc(N2CCC[C@H]2c2noc(C(C)C)n2)c1-c1nnn[n-]1 ZINC000826237568 609543552 /nfs/dbraw/zinc/54/35/52/609543552.db2.gz DNXAEUHMTVAWTH-NSHDSACASA-N -1 3 374.836 3.071 20 0 FGADHM Cc1c(Cl)cnc(N2CCC[C@H]2c2noc(C(C)C)n2)c1-c1nn[n-]n1 ZINC000826237568 609543555 /nfs/dbraw/zinc/54/35/55/609543555.db2.gz DNXAEUHMTVAWTH-NSHDSACASA-N -1 3 374.836 3.071 20 0 FGADHM CCCO[C@@H]1CCCN(c2ncc(Cl)c(C)c2-c2nnn[n-]2)CC1 ZINC000825339109 609549872 /nfs/dbraw/zinc/54/98/72/609549872.db2.gz NKRCQQFSBKBGAW-GFCCVEGCSA-N -1 3 350.854 3.009 20 0 FGADHM CCCO[C@@H]1CCCN(c2ncc(Cl)c(C)c2-c2nn[n-]n2)CC1 ZINC000825339109 609549875 /nfs/dbraw/zinc/54/98/75/609549875.db2.gz NKRCQQFSBKBGAW-GFCCVEGCSA-N -1 3 350.854 3.009 20 0 FGADHM Cc1cc(Nc2ncccc2-c2nnn[n-]2)cnc1N1CCCC[C@@H]1C ZINC000826271481 609563732 /nfs/dbraw/zinc/56/37/32/609563732.db2.gz SWRNZBAECHRWQD-ZDUSSCGKSA-N -1 3 350.430 3.088 20 0 FGADHM Cc1cc(Nc2ncccc2-c2nn[n-]n2)cnc1N1CCCC[C@@H]1C ZINC000826271481 609563735 /nfs/dbraw/zinc/56/37/35/609563735.db2.gz SWRNZBAECHRWQD-ZDUSSCGKSA-N -1 3 350.430 3.088 20 0 FGADHM Cc1ccc(C)c([C@@H]2CN(c3nccc(C)c3-c3nnn[n-]3)[C@H](C)CO2)c1 ZINC000826284795 609570182 /nfs/dbraw/zinc/57/01/82/609570182.db2.gz GFIBEBFICJHPNB-WBVHZDCISA-N -1 3 364.453 3.153 20 0 FGADHM Cc1ccc(C)c([C@@H]2CN(c3nccc(C)c3-c3nn[n-]n3)[C@H](C)CO2)c1 ZINC000826284795 609570185 /nfs/dbraw/zinc/57/01/85/609570185.db2.gz GFIBEBFICJHPNB-WBVHZDCISA-N -1 3 364.453 3.153 20 0 FGADHM Cc1ccc2c(c1)[C@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)[C@@H](C)C2 ZINC000826294694 609603756 /nfs/dbraw/zinc/60/37/56/609603756.db2.gz ZBBMJGGHAFETTD-WRBHFMKESA-N -1 3 359.433 3.238 20 0 FGADHM Cc1ccc2c(c1)[C@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)[C@@H](C)C2 ZINC000826294694 609603758 /nfs/dbraw/zinc/60/37/58/609603758.db2.gz ZBBMJGGHAFETTD-WRBHFMKESA-N -1 3 359.433 3.238 20 0 FGADHM C[C@@H]1CCCC[C@@H]1OCC(=O)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000824937622 609614380 /nfs/dbraw/zinc/61/43/80/609614380.db2.gz QECBLMRGWPGWNL-ABAIWWIYSA-N -1 3 364.833 3.159 20 0 FGADHM C[C@@H]1CCCC[C@@H]1OCC(=O)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000824937622 609614381 /nfs/dbraw/zinc/61/43/81/609614381.db2.gz QECBLMRGWPGWNL-ABAIWWIYSA-N -1 3 364.833 3.159 20 0 FGADHM O=C(CCc1ccccc1F)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826409232 609617807 /nfs/dbraw/zinc/61/78/07/609617807.db2.gz NVFFJGGIRZOKCC-UHFFFAOYSA-N -1 3 360.776 3.335 20 0 FGADHM O=C(CCc1ccccc1F)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826409232 609617808 /nfs/dbraw/zinc/61/78/08/609617808.db2.gz NVFFJGGIRZOKCC-UHFFFAOYSA-N -1 3 360.776 3.335 20 0 FGADHM C[C@H](OC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)c1cccc2ccccc21 ZINC000824715684 609634491 /nfs/dbraw/zinc/63/44/91/609634491.db2.gz UGHLMLWJWWAPEK-ORAYPTAESA-N -1 3 374.400 3.358 20 0 FGADHM C[C@H](OC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)c1cccc2ccccc21 ZINC000824715684 609634492 /nfs/dbraw/zinc/63/44/92/609634492.db2.gz UGHLMLWJWWAPEK-ORAYPTAESA-N -1 3 374.400 3.358 20 0 FGADHM CC(=O)c1cccc(NC(=O)COC(=O)c2cc(Cl)c(Cl)[n-]2)c1 ZINC000011808730 695602482 /nfs/dbraw/zinc/60/24/82/695602482.db2.gz ITJTYYGPUFRRNM-UHFFFAOYSA-N -1 3 355.177 3.320 20 0 FGADHM CSc1ccc(Cl)c(C(=O)[N-]NC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000017394548 695634238 /nfs/dbraw/zinc/63/42/38/695634238.db2.gz RBBSAKOELMRQTJ-UHFFFAOYSA-N -1 3 365.798 3.045 20 0 FGADHM C[C@H](OC(=O)c1cc(Cl)c(Cl)[n-]1)C(=O)NCc1ccc(F)cc1 ZINC000021730879 695647816 /nfs/dbraw/zinc/64/78/16/695647816.db2.gz QLQQEYVJWRSNFS-QMMMGPOBSA-N -1 3 359.184 3.322 20 0 FGADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(NC(C)=O)c(Cl)c2)cc1 ZINC000021868948 695648783 /nfs/dbraw/zinc/64/87/83/695648783.db2.gz REBNEECWBAESKM-UHFFFAOYSA-N -1 3 368.842 3.498 20 0 FGADHM O=c1ccc2cc(S(=O)(=O)[N-]c3ccc(OC(F)F)cc3)ccc2o1 ZINC000023873778 695664184 /nfs/dbraw/zinc/66/41/84/695664184.db2.gz WTYLCTDONHWZMK-UHFFFAOYSA-N -1 3 367.329 3.195 20 0 FGADHM O=C(Nc1ccc(Cl)cc1)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000024486720 695668039 /nfs/dbraw/zinc/66/80/39/695668039.db2.gz IRXBCIZGDLNCII-UHFFFAOYSA-N -1 3 368.817 3.172 20 0 FGADHM COC(=O)CCCCCC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000024476020 695668056 /nfs/dbraw/zinc/66/80/56/695668056.db2.gz FXFDLHLZHRHSIQ-UHFFFAOYSA-N -1 3 368.282 3.395 20 0 FGADHM CCCCc1nnc([N-]C(=O)c2cn(-c3ccc(Cl)cc3)nn2)s1 ZINC000028964771 695707524 /nfs/dbraw/zinc/70/75/24/695707524.db2.gz AMJAANQCTABHQE-UHFFFAOYSA-N -1 3 362.846 3.367 20 0 FGADHM C[C@@H]1CCC[C@H](NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)C1 ZINC000032029493 695741197 /nfs/dbraw/zinc/74/11/97/695741197.db2.gz PDGUFAZFCHXPIE-OCCSQVGLSA-N -1 3 370.490 3.211 20 0 FGADHM C[C@@H]1C[C@@H]1CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000032394199 695743220 /nfs/dbraw/zinc/74/32/20/695743220.db2.gz QKNNVKWZEPXJRP-TZMCWYRMSA-N -1 3 362.426 3.012 20 0 FGADHM O=C1[N-]C(=O)/C(=C/N[C@@H]2CCSc3c(F)cccc32)c2ccccc21 ZINC000032584929 695746485 /nfs/dbraw/zinc/74/64/85/695746485.db2.gz NJTQRCCFLUNICI-HFQYIWAZSA-N -1 3 354.406 3.263 20 0 FGADHM CCC[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)N(C)C)c(Cl)cc1Cl ZINC000036309859 695752692 /nfs/dbraw/zinc/75/26/92/695752692.db2.gz DMJMNQMSIVVBNG-VIFPVBQESA-N -1 3 367.298 3.162 20 0 FGADHM COc1ccc([N-]S(=O)(=O)c2ccc(CCCl)cc2)cc1OC ZINC000042777447 695785057 /nfs/dbraw/zinc/78/50/57/695785057.db2.gz RGNIYLMUHXWZFM-UHFFFAOYSA-N -1 3 355.843 3.286 20 0 FGADHM CC(C)Sc1ccccc1C(=O)OCC(=O)[N-]C(=O)c1cccs1 ZINC000043276760 695790732 /nfs/dbraw/zinc/79/07/32/695790732.db2.gz DAJJRTONOLBTMB-UHFFFAOYSA-N -1 3 363.460 3.362 20 0 FGADHM Cc1sc2[n-]c([C@H](C)OC(=O)CC[C@H]3CCCO3)nc(=O)c2c1C ZINC000047802982 695868597 /nfs/dbraw/zinc/86/85/97/695868597.db2.gz WDUSBDFUMHCULE-CMPLNLGQSA-N -1 3 350.440 3.165 20 0 FGADHM Cc1sc2[n-]c([C@@H](C)OC(=O)CC[C@H]3CCCO3)nc(=O)c2c1C ZINC000047802981 695868631 /nfs/dbraw/zinc/86/86/31/695868631.db2.gz WDUSBDFUMHCULE-ZYHUDNBSSA-N -1 3 350.440 3.165 20 0 FGADHM Cc1sc2[n-]c([C@@H](C)OC(=O)COC3CCCC3)nc(=O)c2c1C ZINC000051741181 695915686 /nfs/dbraw/zinc/91/56/86/695915686.db2.gz DFIFJICDHXVOLL-SNVBAGLBSA-N -1 3 350.440 3.165 20 0 FGADHM CCc1cccc(NC(=S)N[N-]C(=O)c2ccc3ccccc3n2)c1 ZINC000052508723 695923392 /nfs/dbraw/zinc/92/33/92/695923392.db2.gz AFJBYPZCHOWAHR-UHFFFAOYSA-N -1 3 350.447 3.429 20 0 FGADHM NC(=O)c1oc2ccccc2c1[N-]C(=O)c1nc(Cl)ccc1Cl ZINC000068535925 695941515 /nfs/dbraw/zinc/94/15/15/695941515.db2.gz FKGJDLLZILMUGQ-UHFFFAOYSA-N -1 3 350.161 3.486 20 0 FGADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCCc1cc(Cl)cc(Cl)c1 ZINC000080607807 700319894 /nfs/dbraw/zinc/31/98/94/700319894.db2.gz 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722547552 /nfs/dbraw/zinc/54/75/52/722547552.db2.gz KRMDHRKLMMPLFQ-ZDUSSCGKSA-N -1 3 370.490 3.211 20 0 FGADHM CC(C)C[N-]S(=O)(=O)c1cc(C(=O)OCCF)c(Cl)cc1Cl ZINC000744452129 722577177 /nfs/dbraw/zinc/57/71/77/722577177.db2.gz KVPTUNXAABPJME-UHFFFAOYSA-N -1 3 372.245 3.054 20 0 FGADHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(N(C)C(C)=O)c2)cc1C ZINC000745979934 722592042 /nfs/dbraw/zinc/59/20/42/722592042.db2.gz QETDPSMTFUKSBT-UHFFFAOYSA-N -1 3 362.451 3.177 20 0 FGADHM C[C@@H](CNC(=O)c1ccc2[n-]c(=S)oc2c1)N(C)Cc1ccccc1 ZINC000746247604 722596135 /nfs/dbraw/zinc/59/61/35/722596135.db2.gz MTJLHFFDJJRWRS-ZDUSSCGKSA-N -1 3 355.463 3.367 20 0 FGADHM COC(=O)c1cc(C)nc2nc(SC[C@@H]3CC3(Cl)Cl)[n-]c(=O)c12 ZINC000747062285 722629303 /nfs/dbraw/zinc/62/93/03/722629303.db2.gz HDGIECQUUVTLLT-ZETCQYMHSA-N -1 3 374.249 3.111 20 0 FGADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCc1cc(Br)cs1 ZINC000747360314 722644527 /nfs/dbraw/zinc/64/45/27/722644527.db2.gz SAXBQBKMKCBCCD-UHFFFAOYSA-N -1 3 370.272 3.368 20 0 FGADHM COC(=O)c1ccc([N-]S(=O)(=O)c2cccc3c2CCCC3)c(F)c1 ZINC000748644296 722699895 /nfs/dbraw/zinc/69/98/95/722699895.db2.gz WABKGKBVLDTUQP-UHFFFAOYSA-N -1 3 363.410 3.292 20 0 FGADHM CC[C@@](C)(CC(=O)OC)[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000748656973 722700602 /nfs/dbraw/zinc/70/06/02/722700602.db2.gz WHOZDNYZUGQOON-AWEZNQCLSA-N -1 3 368.282 3.312 20 0 FGADHM CC[C@@](C)(CC(=O)OC)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000748658719 722700613 /nfs/dbraw/zinc/70/06/13/722700613.db2.gz RHPCVLVYQKRKKP-ZDUSSCGKSA-N -1 3 354.255 3.004 20 0 FGADHM CCCCCC[C@H](C)[N-]S(=O)(=O)c1sc(C(=O)OC)cc1OC ZINC000749103992 722716015 /nfs/dbraw/zinc/71/60/15/722716015.db2.gz AOURRRGXOQMHOF-NSHDSACASA-N -1 3 363.501 3.181 20 0 FGADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(NC(C)=O)c(C)c2)c(C)c1 ZINC000749154175 722718228 /nfs/dbraw/zinc/71/82/28/722718228.db2.gz KLVSVULPBWVPHK-UHFFFAOYSA-N -1 3 362.451 3.461 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(-n3cncn3)c(Cl)c2)cc1F ZINC000749157420 722718467 /nfs/dbraw/zinc/71/84/67/722718467.db2.gz MOHQCGWFHICDQW-UHFFFAOYSA-N -1 3 366.805 3.169 20 0 FGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H](C)c1ccc(C)s1 ZINC000751034207 722792398 /nfs/dbraw/zinc/79/23/98/722792398.db2.gz YNCAGBGYQMHSPF-JTQLQIEISA-N -1 3 357.428 3.022 20 0 FGADHM CC(C)CCS(=O)(=O)[N-]C[C@@](O)(c1ccc(Cl)cc1)C(F)(F)F ZINC000751292438 722801134 /nfs/dbraw/zinc/80/11/34/722801134.db2.gz OIGKHKXTMHKEQQ-CYBMUJFWSA-N -1 3 373.824 3.055 20 0 FGADHM CCCCCC[C@@H](C)NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000751308834 722801373 /nfs/dbraw/zinc/80/13/73/722801373.db2.gz WUUFWAZFMSYNHE-CYBMUJFWSA-N -1 3 370.490 3.355 20 0 FGADHM Cc1ccc(NC(=O)c2ccc(N)cc2[O-])cc1I ZINC000751348238 722802465 /nfs/dbraw/zinc/80/24/65/722802465.db2.gz FFNBIBBJTUITKC-UHFFFAOYSA-N -1 3 368.174 3.140 20 0 FGADHM O=C([N-]Cc1ccc(Br)cc1Cl)C(F)(F)C1(O)CCC1 ZINC000752952598 722878797 /nfs/dbraw/zinc/87/87/97/722878797.db2.gz ACMHXXBTFWBAPH-UHFFFAOYSA-N -1 3 368.605 3.269 20 0 FGADHM O=C1[N-]C(=O)C(=CNC[C@@H]2CCC[C@@H](C(F)(F)F)C2)c2ccccc21 ZINC000752228974 722849955 /nfs/dbraw/zinc/84/99/55/722849955.db2.gz JNFPHLVUZAVBJJ-HFKDZLORSA-N -1 3 352.356 3.256 20 0 FGADHM Cc1ccccc1CCCOC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000753455281 722899983 /nfs/dbraw/zinc/89/99/83/722899983.db2.gz XSQITVXIQVOPPE-UHFFFAOYSA-N -1 3 365.426 3.295 20 0 FGADHM COc1cc(C(=O)OCCOc2cccc(Cl)c2)cc(OC)c1[O-] ZINC000754271577 722933203 /nfs/dbraw/zinc/93/32/03/722933203.db2.gz KLCPLOXZEYVTEN-UHFFFAOYSA-N -1 3 352.770 3.299 20 0 FGADHM C[C@H](Cc1ccccc1Cl)C(=O)OCC(=O)[N-]C(=O)c1cccs1 ZINC000754305092 722934169 /nfs/dbraw/zinc/93/41/69/722934169.db2.gz KDBHGGILVDNNBA-LLVKDONJSA-N -1 3 365.838 3.080 20 0 FGADHM COC(=O)c1cc(S(=O)(=O)[N-][C@H](C)C2CCC2)c(Cl)cc1Cl ZINC000755978686 722959244 /nfs/dbraw/zinc/95/92/44/722959244.db2.gz TXKIRQIGAVXDGP-MRVPVSSYSA-N -1 3 366.266 3.247 20 0 FGADHM COC(=O)[C@@H]([N-]S(=O)(=O)/C=C/c1ccc(C)cc1)C1CCCCC1 ZINC000756215915 722961880 /nfs/dbraw/zinc/96/18/80/722961880.db2.gz JYTMARVMBWHQOH-UJGDBWEASA-N -1 3 351.468 3.007 20 0 FGADHM O=C([O-])CCCCCCNCc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000756280427 722962433 /nfs/dbraw/zinc/96/24/33/722962433.db2.gz BDEXIDWQNIELCW-UHFFFAOYSA-N -1 3 354.813 3.185 20 0 FGADHM Cc1sc2[n-]c([C@@H](C)OC(=O)C[C@](C)(O)C3CC3)nc(=O)c2c1C ZINC000756319244 722962752 /nfs/dbraw/zinc/96/27/52/722962752.db2.gz JIHDITFBTFGHJW-XLFHBGCDSA-N -1 3 350.440 3.169 20 0 FGADHM O=C([N-][C@@H](c1ccc(F)cc1)[C@H]1CCCO1)C(F)(F)c1nccs1 ZINC000756667661 722968489 /nfs/dbraw/zinc/96/84/89/722968489.db2.gz SYPUAYQQMLHSKP-OLZOCXBDSA-N -1 3 356.369 3.411 20 0 FGADHM Cc1cnc(COC(=O)c2n[n-]c(-c3ccccc3)c2Br)o1 ZINC000757728412 722978944 /nfs/dbraw/zinc/97/89/44/722978944.db2.gz LPFBKFFVLOVKBN-UHFFFAOYSA-N -1 3 362.183 3.493 20 0 FGADHM Cc1ccc(-c2nc(NC(=O)C(F)(F)c3c(F)cccc3F)n[n-]2)o1 ZINC000757911889 722981154 /nfs/dbraw/zinc/98/11/54/722981154.db2.gz BAXOVIBKYIENSC-UHFFFAOYSA-N -1 3 354.263 3.382 20 0 FGADHM O=S(=O)([N-][C@H]1CCO[C@H](c2ccc(F)cc2)C1)c1cccnc1Cl ZINC000758604856 722992318 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COC(CCCC(C)(C)C[N-]S(=O)(=O)c1ccc(Cl)s1)OC ZINC000791413329 723240828 /nfs/dbraw/zinc/24/08/28/723240828.db2.gz NPSHVFIAJJGSLK-UHFFFAOYSA-N -1 3 369.936 3.495 20 0 FGADHM Cc1cc(=O)[n-]c(CSCC(=O)N(C)[C@@H](C)c2ccc(F)c(F)c2)n1 ZINC000763207473 723321914 /nfs/dbraw/zinc/32/19/14/723321914.db2.gz AHIXXAPXHOSNOO-NSHDSACASA-N -1 3 367.421 3.222 20 0 FGADHM C[C@@]([N-]C(=O)C(F)(F)Cc1ccccc1)(C(N)=O)c1cccc(Cl)c1 ZINC000793625153 723456651 /nfs/dbraw/zinc/45/66/51/723456651.db2.gz YYOYEGDPAFWDQW-KRWDZBQOSA-N -1 3 366.795 3.035 20 0 FGADHM CC(C)OCc1nc([C@H](C)NC(=O)c2cc3sccc3c([O-])c2)no1 ZINC000794166896 723494024 /nfs/dbraw/zinc/49/40/24/723494024.db2.gz BMUXNBOMTLETFT-JTQLQIEISA-N -1 3 361.423 3.406 20 0 FGADHM CSCCO[N-]C(=O)C[C@@H](O)c1ccc(OCc2ccccc2)cc1 ZINC000794188358 723496258 /nfs/dbraw/zinc/49/62/58/723496258.db2.gz OVOFVGUDXFNJNO-GOSISDBHSA-N -1 3 361.463 3.100 20 0 FGADHM O=S(=O)([N-]c1c2c(ccc1Cl)OCC2)C1=Cc2ccccc2OC1 ZINC000795662536 723604820 /nfs/dbraw/zinc/60/48/20/723604820.db2.gz 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FGADHM Cc1cc(Br)c(C(=O)OCc2cc(=O)c([O-])co2)cc1Cl ZINC000805601574 725082195 /nfs/dbraw/zinc/08/21/95/725082195.db2.gz NVNJROKIZMVSNO-UHFFFAOYSA-N -1 3 373.586 3.427 20 0 FGADHM Cc1cc(S(=O)(=O)[N-][C@@H](C(C)C)[C@H](O)c2ccccc2)c(F)cc1F ZINC000788721211 725083589 /nfs/dbraw/zinc/08/35/89/725083589.db2.gz WPMIZBITHHXKBZ-ZWKOTPCHSA-N -1 3 369.433 3.310 20 0 FGADHM CCOC1CC(C(=O)O[C@@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)C1 ZINC000805642133 725084191 /nfs/dbraw/zinc/08/41/91/725084191.db2.gz HJAAWGCAOBQDEY-GCVQQVDUSA-N -1 3 350.440 3.433 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]C[C@H]2COc3ccccc3C2)sc1Cl ZINC000788875587 725092531 /nfs/dbraw/zinc/09/25/31/725092531.db2.gz OBKJHVOZTUBDLU-NSHDSACASA-N -1 3 357.884 3.240 20 0 FGADHM O=c1cc(CN[C@H](CCO)c2ccc(Cl)cc2)c2ccc([O-])cc2o1 ZINC000805822608 725098293 /nfs/dbraw/zinc/09/82/93/725098293.db2.gz UQDPDLUNNWLFNI-QGZVFWFLSA-N -1 3 359.809 3.365 20 0 FGADHM CCc1ccc(C(=O)NC[C@@H](O)c2ccc(C(F)(F)F)cc2)c([O-])c1 ZINC000807797576 725170264 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Cc1nn(-c2ccccn2)c(Cl)c1CNC[C@@H](CC(C)C)C(=O)[O-] ZINC000818630005 727318166 /nfs/dbraw/zinc/31/81/66/727318166.db2.gz TYPUGNUEFPRHRY-CYBMUJFWSA-N -1 3 350.850 3.066 20 0 FGADHM COc1ccccc1CO[N-]C(=O)CCc1cccc(OC(F)F)c1 ZINC000819522628 727380766 /nfs/dbraw/zinc/38/07/66/727380766.db2.gz SVPAOLNZWVBJDK-UHFFFAOYSA-N -1 3 351.349 3.477 20 0 FGADHM COc1cc(C[NH2+][C@@H]2C[C@H](C(=O)[O-])CC[C@H]2C)cc(Br)c1[O-] ZINC000871875811 735558605 /nfs/dbraw/zinc/55/86/05/735558605.db2.gz PAXPZCXFAFGBBY-IRUJWGPZSA-N -1 3 372.259 3.142 20 0 FGADHM O=C(Nc1[nH][n-]c2cc(=O)ccc1-2)c1cc(Cl)nc(N2CCCC2)c1 ZINC000820218967 728975600 /nfs/dbraw/zinc/97/56/00/728975600.db2.gz QSFZTSBEZFYITG-UHFFFAOYSA-N -1 3 357.801 3.169 20 0 FGADHM C[C@@H](NC(=O)/C=C\SCc1ccco1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820321009 728984899 /nfs/dbraw/zinc/98/48/99/728984899.db2.gz ATIULPHMWYOJIJ-VPUINMBXSA-N -1 3 355.423 3.084 20 0 FGADHM C[C@@H](NC(=O)/C=C\SCc1ccco1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820321009 728984901 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FGADHM CCC[C@@H](C)C(=O)Nc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000825234185 729375488 /nfs/dbraw/zinc/37/54/88/729375488.db2.gz WYSODOOMLKQOGA-SNVBAGLBSA-N -1 3 359.821 3.081 20 0 FGADHM CS[C@@H]1CC[C@@H](NC(=O)c2c(Cl)cc(-c3nnn[n-]3)cc2Cl)C1 ZINC000826227679 729406465 /nfs/dbraw/zinc/40/64/65/729406465.db2.gz VOASYIDTKIHWSR-RKDXNWHRSA-N -1 3 372.281 3.187 20 0 FGADHM CS[C@@H]1CC[C@@H](NC(=O)c2c(Cl)cc(-c3nn[n-]n3)cc2Cl)C1 ZINC000826227679 729406467 /nfs/dbraw/zinc/40/64/67/729406467.db2.gz VOASYIDTKIHWSR-RKDXNWHRSA-N -1 3 372.281 3.187 20 0 FGADHM Cc1c(Cl)cnc(N[C@@H](C)C[C@@H](O)c2cccs2)c1-c1nnn[n-]1 ZINC000826239010 729406714 /nfs/dbraw/zinc/40/67/14/729406714.db2.gz VYFXIYXQDDUFPC-GZMMTYOYSA-N -1 3 364.862 3.209 20 0 FGADHM Cc1c(Cl)cnc(N[C@@H](C)C[C@@H](O)c2cccs2)c1-c1nn[n-]n1 ZINC000826239010 729406715 /nfs/dbraw/zinc/40/67/15/729406715.db2.gz VYFXIYXQDDUFPC-GZMMTYOYSA-N -1 3 364.862 3.209 20 0 FGADHM Cc1ccc(C2CCN(c3ncc(-c4nnn[n-]4)cc3Cl)CC2)cn1 ZINC000826286332 729406886 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729408299 /nfs/dbraw/zinc/40/82/99/729408299.db2.gz GBNKCFDXYCLBFS-OAHLLOKOSA-N -1 3 374.242 3.165 20 0 FGADHM O[C@H](CCNc1ccc(Br)cc1-c1nn[n-]n1)c1ccccc1 ZINC000826502565 729408300 /nfs/dbraw/zinc/40/83/00/729408300.db2.gz GBNKCFDXYCLBFS-OAHLLOKOSA-N -1 3 374.242 3.165 20 0 FGADHM CCC(F)(F)C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000826578277 729409957 /nfs/dbraw/zinc/40/99/57/729409957.db2.gz ZXFMVKFIJJYSHN-UHFFFAOYSA-N -1 3 360.304 3.061 20 0 FGADHM O=C(NCC[C@H]1CC1(Cl)Cl)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC000826857216 729417069 /nfs/dbraw/zinc/41/70/69/729417069.db2.gz HPMISPQYPXURJN-ZETCQYMHSA-N -1 3 361.175 3.120 20 0 FGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N[C@H](C1CCC1)C1CCCCC1 ZINC000826946728 729419819 /nfs/dbraw/zinc/41/98/19/729419819.db2.gz PAELLQFFVTYEIF-ZDUSSCGKSA-N -1 3 359.396 3.372 20 0 FGADHM O=C([N-][C@H]1CCCc2c[nH]nc21)C(F)(F)c1ccccc1Br ZINC000827032271 729422069 /nfs/dbraw/zinc/42/20/69/729422069.db2.gz SJSUYCLOTGNRGR-LBPRGKRZSA-N -1 3 370.197 3.458 20 0 FGADHM O=S(=O)([N-][C@@H]1CCOc2c(Cl)c(Cl)ccc21)c1cscn1 ZINC000827519969 729431220 /nfs/dbraw/zinc/43/12/20/729431220.db2.gz RIFCHLXORAVEIC-SECBINFHSA-N -1 3 365.263 3.252 20 0 FGADHM Cc1oc(C=O)cc1C(=O)[N-]c1nnc(C(F)(F)C(F)(F)F)s1 ZINC000827806260 729435306 /nfs/dbraw/zinc/43/53/06/729435306.db2.gz OUWPJYFSGMSJKU-UHFFFAOYSA-N -1 3 355.244 3.158 20 0 FGADHM COC(=O)c1cnc([C@H]2CCCN(Cc3c(F)ccc([O-])c3F)C2)s1 ZINC000827950142 729437736 /nfs/dbraw/zinc/43/77/36/729437736.db2.gz QAVSPUFQPWXJND-JTQLQIEISA-N -1 3 368.405 3.293 20 0 FGADHM O=C([N-]c1nnc([C@@H]2CCCO2)s1)c1ccc(CN2CCCCC2)o1 ZINC000828659514 729446264 /nfs/dbraw/zinc/44/62/64/729446264.db2.gz FLBYMTJORFZKDC-AWEZNQCLSA-N -1 3 362.455 3.221 20 0 FGADHM O=C([N-][C@H](CCO)c1ccco1)C(F)(F)c1ccccc1Br ZINC000828693451 729446571 /nfs/dbraw/zinc/44/65/71/729446571.db2.gz TUYCRPAEBMCYRK-GFCCVEGCSA-N -1 3 374.181 3.374 20 0 FGADHM CSc1ccc([O-])c(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)c1 ZINC000828713064 729446800 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O=C(N[C@H]1CCSC2(CCC2)C1)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC000834704395 729827398 /nfs/dbraw/zinc/82/73/98/729827398.db2.gz BLIGHCPFQALAPY-JTQLQIEISA-N -1 3 364.417 3.354 20 0 FGADHM CS(=O)(=O)[N-]c1cc(C(=O)OC2CC3(CC3)C2)cc(C(F)(F)F)c1 ZINC000835726912 729914100 /nfs/dbraw/zinc/91/41/00/729914100.db2.gz MWLWYGJFQQVFAA-UHFFFAOYSA-N -1 3 363.357 3.176 20 0 FGADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1ccc(C)cc1Br ZINC000836202560 729947057 /nfs/dbraw/zinc/94/70/57/729947057.db2.gz VCIBJOXUQDTHQL-UHFFFAOYSA-N -1 3 359.220 3.152 20 0 FGADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1ccc(C)cc1Br ZINC000836202560 729947058 /nfs/dbraw/zinc/94/70/58/729947058.db2.gz VCIBJOXUQDTHQL-UHFFFAOYSA-N -1 3 359.220 3.152 20 0 FGADHM CN(C)[C@H](C(=O)OCc1cc(=O)[n-]c(C2CC2)n1)c1cccc(Cl)c1 ZINC000837619703 730048288 /nfs/dbraw/zinc/04/82/88/730048288.db2.gz PGVNDXHFNMRUHO-INIZCTEOSA-N -1 3 361.829 3.059 20 0 FGADHM C[C@@H](C(=O)OCc1cc(=O)[n-]c(C2CC2)n1)[C@H]1OCCc2sccc21 ZINC000837742270 730059574 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O=C1[N-]C(=O)/C(=C/N[C@H](c2ccccc2)c2ccncc2)c2ccccc21 ZINC000029185717 493824752 /nfs/dbraw/zinc/82/47/52/493824752.db2.gz AYXQKEIAYQJDNH-IAERKFLBSA-N -1 3 355.397 3.072 20 0 FGADHM NC(=O)c1cccc(Oc2ccc(NC(=O)c3ccc4n[n-]nc4c3)cc2)c1 ZINC000068477645 493826934 /nfs/dbraw/zinc/82/69/34/493826934.db2.gz IZRWSVNZKUUOPB-UHFFFAOYSA-N -1 3 373.372 3.101 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(N(C)CCCOc3ccccc3)nc2)n1 ZINC000068664433 493853338 /nfs/dbraw/zinc/85/33/38/493853338.db2.gz RLPQRASNLDAEFG-UHFFFAOYSA-N -1 3 364.449 3.300 20 0 FGADHM CCOC(=O)c1c(CC(C)C)csc1[N-]C(=O)C(=O)N(C)[C@@H](C)CC ZINC000076255853 493855272 /nfs/dbraw/zinc/85/52/72/493855272.db2.gz YFUPSXZSPXXJFX-LBPRGKRZSA-N -1 3 368.499 3.319 20 0 FGADHM CCCCc1cc(NC(=O)c2ccc([N-]S(=O)(=O)CCC)cc2)n[nH]1 ZINC000076428707 493891365 /nfs/dbraw/zinc/89/13/65/493891365.db2.gz CBKUDLXBAJWQHW-UHFFFAOYSA-N -1 3 364.471 3.156 20 0 FGADHM O=S(=O)([N-]Cc1cc(F)cc(F)c1)c1ccccc1C(F)(F)F ZINC000030518445 493894031 /nfs/dbraw/zinc/89/40/31/493894031.db2.gz MNOJBOZKKDAZKY-UHFFFAOYSA-N -1 3 351.296 3.462 20 0 FGADHM CN(C)C(=O)c1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2[O-])cc1 ZINC000081458514 493896846 /nfs/dbraw/zinc/89/68/46/493896846.db2.gz YGTBPWNDBNMILO-UHFFFAOYSA-N -1 3 352.312 3.365 20 0 FGADHM O=C(CCCNC(=O)C1CC1)Nc1cc(Cc2ccccc2)ccc1[O-] ZINC000081459937 493898074 /nfs/dbraw/zinc/89/80/74/493898074.db2.gz XPVXQENYBGRMLN-UHFFFAOYSA-N -1 3 352.434 3.228 20 0 FGADHM COc1ccc(C(=O)NCCc2ccc(F)c(Br)c2)c([O-])c1 ZINC000059802124 493908446 /nfs/dbraw/zinc/90/84/46/493908446.db2.gz ZXPLKQXIYSJCKU-UHFFFAOYSA-N -1 3 368.202 3.275 20 0 FGADHM Cc1ccc(C(=O)NC2CCN(C(=O)c3ccc(C)cc3[O-])CC2)s1 ZINC000050476301 493917056 /nfs/dbraw/zinc/91/70/56/493917056.db2.gz FPLXCKWEDBHZOU-UHFFFAOYSA-N -1 3 358.463 3.105 20 0 FGADHM COc1ccccc1-c1nc(NC(=O)[C@H](C)Cc2cccc(F)c2)n[n-]1 ZINC000069128670 493925816 /nfs/dbraw/zinc/92/58/16/493925816.db2.gz LSAHBCSWTZSIAC-GFCCVEGCSA-N -1 3 354.385 3.437 20 0 FGADHM CCCC[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(CCNC(C)=O)s1 ZINC000069131269 493926639 /nfs/dbraw/zinc/92/66/39/493926639.db2.gz RMIDCLLDMRSPIU-ZBFHGGJFSA-N -1 3 372.556 3.064 20 0 FGADHM Cc1nc(C)c(CC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)c(=O)[n-]1 ZINC000031211305 493931669 /nfs/dbraw/zinc/93/16/69/493931669.db2.gz XDAJNAKAINSNIK-QMMMGPOBSA-N -1 3 354.237 3.113 20 0 FGADHM CCOCc1nc(C)c(C(=O)N=c2[nH][n-]c(C)c2-c2ccccc2)s1 ZINC000580155245 505689758 /nfs/dbraw/zinc/68/97/58/505689758.db2.gz VFXPHMOGDHLFCS-UHFFFAOYSA-N -1 3 356.451 3.361 20 0 FGADHM O=S(=O)([N-]Cc1cccc2c1OCO2)c1c(Cl)cccc1Cl ZINC000060509096 493940065 /nfs/dbraw/zinc/94/00/65/493940065.db2.gz GFKPWXIQTAYIOK-UHFFFAOYSA-N -1 3 360.218 3.201 20 0 FGADHM CCC[C@@H](Cc1ccccc1)NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000069225043 493940860 /nfs/dbraw/zinc/94/08/60/493940860.db2.gz VPZNPTWBFHPERE-AWEZNQCLSA-N -1 3 351.406 3.103 20 0 FGADHM Cc1cc([N-]C(=O)COc2ccccc2C(=O)Nc2ccccc2)on1 ZINC000031679119 493955713 /nfs/dbraw/zinc/95/57/13/493955713.db2.gz 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Cc1ccc([N-]S(=O)(=O)c2cc(C)c(F)cc2F)c(CN(C)C)c1 ZINC000084505051 494077084 /nfs/dbraw/zinc/07/70/84/494077084.db2.gz KDEFXRAZMDXCQN-UHFFFAOYSA-N -1 3 354.422 3.444 20 0 FGADHM Cc1csc(CCCC[N-]S(=O)(=O)c2cc(C)c(F)cc2F)n1 ZINC000084674274 494090750 /nfs/dbraw/zinc/09/07/50/494090750.db2.gz PALMMDMWESDEGZ-UHFFFAOYSA-N -1 3 360.451 3.339 20 0 FGADHM CC(C)n1cnnc1C1CCN(c2c(C(=O)[O-])cnc3ccccc32)CC1 ZINC000577282519 505699424 /nfs/dbraw/zinc/69/94/24/505699424.db2.gz LTXVTCVMPPNKRL-UHFFFAOYSA-N -1 3 365.437 3.489 20 0 FGADHM CN(C)[C@H](C[N-]S(=O)(=O)c1cc2ccccc2o1)c1cccc(F)c1 ZINC000084935981 494107479 /nfs/dbraw/zinc/10/74/79/494107479.db2.gz GHGOJPOGPDMSQF-MRXNPFEDSA-N -1 3 362.426 3.153 20 0 FGADHM CCn1cc([N-]C(=O)c2c(F)cc(Br)cc2F)ccc1=O ZINC000085219416 494112308 /nfs/dbraw/zinc/11/23/08/494112308.db2.gz SYTYRTRKOADCFD-UHFFFAOYSA-N -1 3 357.154 3.161 20 0 FGADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cn(C)c4ccccc34)cc2)n1 ZINC000064374396 494118402 /nfs/dbraw/zinc/11/84/02/494118402.db2.gz 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ZINC000041237548 494153369 /nfs/dbraw/zinc/15/33/69/494153369.db2.gz PETWLZQLOZLJFV-UHFFFAOYSA-N -1 3 360.435 3.250 20 0 FGADHM COC1CCN(Cc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)CC1 ZINC000053897371 494174703 /nfs/dbraw/zinc/17/47/03/494174703.db2.gz OZGOWZZOBGRIMG-UHFFFAOYSA-N -1 3 355.463 3.262 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ncccn3)cc2C)cc1 ZINC000065223957 494179913 /nfs/dbraw/zinc/17/99/13/494179913.db2.gz FOONALAPWOEAFC-UHFFFAOYSA-N -1 3 371.418 3.387 20 0 FGADHM C[C@@H](CCC(C)(C)C)NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000077797684 494181027 /nfs/dbraw/zinc/18/10/27/494181027.db2.gz NFBVQAKYXUGVRX-HNNXBMFYSA-N -1 3 361.486 3.074 20 0 FGADHM O=C(c1c[n-]c2ccccc2c1=O)N1CCC([C@H](O)c2ccccc2)CC1 ZINC000042043708 494196393 /nfs/dbraw/zinc/19/63/93/494196393.db2.gz VUTSJYFNPMCIIU-HXUWFJFHSA-N -1 3 362.429 3.114 20 0 FGADHM CCSc1nnc([N-]C(=O)c2cn(C)nc2-c2cccs2)s1 ZINC000011922621 494197454 /nfs/dbraw/zinc/19/74/54/494197454.db2.gz VGDKQZTWUYIFAM-UHFFFAOYSA-N -1 3 351.482 3.364 20 0 FGADHM Cc1ccc(NC(=O)Cc2c(C)nc(-c3ccncc3)[n-]c2=O)cc1Cl ZINC000042091615 494199869 /nfs/dbraw/zinc/19/98/69/494199869.db2.gz LOABLXUHCZUBJD-UHFFFAOYSA-N -1 3 368.824 3.283 20 0 FGADHM COc1cccc(OCC(=O)Nc2nc(-c3cccc4ccccc43)n[n-]2)c1 ZINC000065514484 494206937 /nfs/dbraw/zinc/20/69/37/494206937.db2.gz DBFHZIYZXBSFDK-UHFFFAOYSA-N -1 3 374.400 3.073 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(-n3ccc(C)n3)cc2)cc1C ZINC000568492898 505708562 /nfs/dbraw/zinc/70/85/62/505708562.db2.gz SNVOTQUVFNMYGO-UHFFFAOYSA-N -1 3 357.435 3.299 20 0 FGADHM CCO[C@H](CC[N-]S(=O)(=O)c1ccccc1C(F)(F)F)C(C)C ZINC000072715362 494237929 /nfs/dbraw/zinc/23/79/29/494237929.db2.gz HPTVJLZLCXIETE-CYBMUJFWSA-N -1 3 353.406 3.435 20 0 FGADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000072715785 494238132 /nfs/dbraw/zinc/23/81/32/494238132.db2.gz JHCSBGPWYDZZOB-LBPRGKRZSA-N -1 3 357.435 3.393 20 0 FGADHM CN(CCCc1nc2ccccc2[nH]1)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000065900544 494253339 /nfs/dbraw/zinc/25/33/39/494253339.db2.gz SBHGVLLJIJEDPX-UHFFFAOYSA-N -1 3 360.417 3.109 20 0 FGADHM COc1cc(C)cc(C(=O)Nc2cccc(Cn3nc(C)nc3C)c2)c1[O-] ZINC000078248487 494261726 /nfs/dbraw/zinc/26/17/26/494261726.db2.gz KAOFYFRFMYPOHW-UHFFFAOYSA-N -1 3 366.421 3.218 20 0 FGADHM O=S(=O)([N-]c1ccc(F)cc1Cl)c1cncc(Br)c1 ZINC000043531868 494303669 /nfs/dbraw/zinc/30/36/69/494303669.db2.gz YEVOJDLYRNWSIK-UHFFFAOYSA-N -1 3 365.611 3.437 20 0 FGADHM COC(=O)c1c(C)[nH]c(C(=O)Nc2cc(C(F)(F)F)ccc2[O-])c1C ZINC000078490849 494307323 /nfs/dbraw/zinc/30/73/23/494307323.db2.gz HEFKCWDFIIIECX-UHFFFAOYSA-N -1 3 356.300 3.395 20 0 FGADHM C[C@H](CC(C)(C)c1ccccc1)NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000078497709 494308689 /nfs/dbraw/zinc/30/86/89/494308689.db2.gz JPITWOVAYNBZQS-CYBMUJFWSA-N -1 3 350.418 3.056 20 0 FGADHM COc1cc(C)c([C@@H](C)NC(=O)c2cc(NC(C)=O)ccc2[O-])cc1OC ZINC000055252986 494319527 /nfs/dbraw/zinc/31/95/27/494319527.db2.gz UPRQMYLYEZFACN-GFCCVEGCSA-N -1 3 372.421 3.167 20 0 FGADHM Cc1ccc([N-]S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)cc1C(N)=O ZINC000066587199 494360258 /nfs/dbraw/zinc/36/02/58/494360258.db2.gz BPZFCKOSIYAKCG-UHFFFAOYSA-N -1 3 360.479 3.437 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(NC(C)=O)c(Cl)c2)c(C)c1 ZINC000055579690 494365875 /nfs/dbraw/zinc/36/58/75/494365875.db2.gz RLAFAYXRFVFHED-UHFFFAOYSA-N -1 3 368.842 3.416 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2cccc(Cn3cccn3)c2)c(C)c1 ZINC000055585522 494366693 /nfs/dbraw/zinc/36/66/93/494366693.db2.gz YKFGWKVGTRMDFV-UHFFFAOYSA-N -1 3 357.435 3.049 20 0 FGADHM CC1(C)CCC(CNC(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)CC1 ZINC000089838228 494378982 /nfs/dbraw/zinc/37/89/82/494378982.db2.gz IOOUYSGNJMFEQV-UHFFFAOYSA-N -1 3 356.463 3.143 20 0 FGADHM COCCOc1cccc([N-]S(=O)(=O)c2c(C)cc(OC)cc2C)c1 ZINC000055640231 494379642 /nfs/dbraw/zinc/37/96/42/494379642.db2.gz AVOPLIFVPKZGMX-UHFFFAOYSA-N -1 3 365.451 3.138 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(NC(C)=O)c2C)c(C)c1 ZINC000055674097 494386803 /nfs/dbraw/zinc/38/68/03/494386803.db2.gz SESBKYLOFWEKDB-UHFFFAOYSA-N -1 3 362.451 3.380 20 0 FGADHM Cc1nc(C)c(CCC(=O)Nc2ccc(SC(F)F)cc2)c(=O)[n-]1 ZINC000016467316 494390865 /nfs/dbraw/zinc/39/08/65/494390865.db2.gz ZZQWAVKNENFKPI-UHFFFAOYSA-N -1 3 353.394 3.273 20 0 FGADHM Cc1cc([N-]C(=O)[C@@H](C)N2CCO[C@H](c3ccc(F)c(Cl)c3)C2)on1 ZINC000066845063 494420944 /nfs/dbraw/zinc/42/09/44/494420944.db2.gz AHUAQBYXIXCUEF-ABAIWWIYSA-N -1 3 367.808 3.176 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)c1ccc(OC)cc1Cl)c1c(C)noc1C ZINC000568554567 505721185 /nfs/dbraw/zinc/72/11/85/505721185.db2.gz ZIQVQJFMCUHMBW-ZDUSSCGKSA-N -1 3 358.847 3.383 20 0 FGADHM CCN(Cc1cccc(Cl)c1)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000045396070 494423915 /nfs/dbraw/zinc/42/39/15/494423915.db2.gz YACGZGLIZKETNM-UHFFFAOYSA-N -1 3 366.870 3.374 20 0 FGADHM COc1ccc(C(=O)N2CCN(C(=O)CCC3CCCCC3)CC2)c([O-])c1 ZINC000055899589 494424201 /nfs/dbraw/zinc/42/42/01/494424201.db2.gz AGFNNXKLCPGHJG-UHFFFAOYSA-N -1 3 374.481 3.046 20 0 FGADHM O=S(=O)([N-]Cc1ccnc(OCc2ccccc2)c1)c1ccccc1F ZINC000056060870 494448313 /nfs/dbraw/zinc/44/83/13/494448313.db2.gz WMQKFSLOGRJKDQ-UHFFFAOYSA-N -1 3 372.421 3.278 20 0 FGADHM O=S(=O)([N-]CCCCOCCc1ccccc1)c1cc(F)cc(F)c1 ZINC000056110207 494456702 /nfs/dbraw/zinc/45/67/02/494456702.db2.gz DNVOCZHDSQGHSH-UHFFFAOYSA-N -1 3 369.433 3.283 20 0 FGADHM CC(C)(C)c1nc(CCNC(=O)c2c[n-]nc2-c2ccccn2)cs1 ZINC000574206468 505720201 /nfs/dbraw/zinc/72/02/01/505720201.db2.gz GFGJBSOTZIOEAX-UHFFFAOYSA-N -1 3 355.467 3.198 20 0 FGADHM O=S(=O)([N-]Cc1ccc(OC(F)F)cc1)c1ccc(Cl)s1 ZINC000021178686 494490331 /nfs/dbraw/zinc/49/03/31/494490331.db2.gz IKKZQCGTLARLLY-UHFFFAOYSA-N -1 3 353.799 3.481 20 0 FGADHM CC(=O)NCc1ccc(S(=O)(=O)[N-][C@@H]2CC[C@H]3CCCC[C@@H]3C2)s1 ZINC000021700872 494503653 /nfs/dbraw/zinc/50/36/53/494503653.db2.gz GHDWRMMAEJDMTI-RBSFLKMASA-N -1 3 370.540 3.021 20 0 FGADHM CC(C)Oc1ccc(S(=O)(=O)[N-]c2cccc([S@](C)=O)c2)cc1 ZINC000091017612 494510876 /nfs/dbraw/zinc/51/08/76/494510876.db2.gz NJYCYLMJONADDK-JOCHJYFZSA-N -1 3 353.465 3.012 20 0 FGADHM Cc1ccc(-c2cnc(CCC(=O)NN=c3nc(C)cc(C)[n-]3)o2)cc1 ZINC000022235882 494517701 /nfs/dbraw/zinc/51/77/01/494517701.db2.gz RMRZUXRHKHONKO-UHFFFAOYSA-N -1 3 351.410 3.133 20 0 FGADHM O=S(=O)([N-][C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)c1cccs1 ZINC000091056055 494520526 /nfs/dbraw/zinc/52/05/26/494520526.db2.gz IDPJTYKSTMUTEC-TZMCWYRMSA-N -1 3 361.847 3.349 20 0 FGADHM C[C@@H](CNC(=O)NCc1ccc([O-])c(F)c1)Oc1ccc(Cl)cc1 ZINC000074374871 494526154 /nfs/dbraw/zinc/52/61/54/494526154.db2.gz IETLDWRMOACKFB-NSHDSACASA-N -1 3 352.793 3.451 20 0 FGADHM C[C@@H](NC(=O)NCc1ccc([O-])c(F)c1)c1ccc(-n2cccn2)cc1 ZINC000074374868 494526136 /nfs/dbraw/zinc/52/61/36/494526136.db2.gz MOVBXPXQIWCOAR-CYBMUJFWSA-N -1 3 354.385 3.277 20 0 FGADHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]CCC1=CCCCCC1 ZINC000580298292 505726549 /nfs/dbraw/zinc/72/65/49/505726549.db2.gz QNWHWWSJSSPSEU-UHFFFAOYSA-N -1 3 355.456 3.242 20 0 FGADHM COc1cccc(C(=O)N[C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)c1[O-] ZINC000091155281 494541235 /nfs/dbraw/zinc/54/12/35/494541235.db2.gz YMJNVNRQHGJUGP-WMLDXEAASA-N -1 3 365.788 3.453 20 0 FGADHM COc1cc(F)c(S(=O)(=O)[N-][C@@H]2CC[C@@H]3CCCC[C@@H]3C2)cc1OC ZINC000023148678 494553468 /nfs/dbraw/zinc/55/34/68/494553468.db2.gz ZAXAHMNGUZSCDZ-BFHYXJOUSA-N -1 3 371.474 3.480 20 0 FGADHM O=C(Nc1ccc2c(c1)nc1n2CCCCC1)c1cc(F)cc2[n-]nnc21 ZINC000568584047 505727830 /nfs/dbraw/zinc/72/78/30/505727830.db2.gz ANIHWTPLVWDTQJ-UHFFFAOYSA-N -1 3 364.384 3.425 20 0 FGADHM O=C(Nc1ccc2c(c1)nc1n2CCCCC1)c1cc(F)cc2nn[n-]c21 ZINC000568584047 505727834 /nfs/dbraw/zinc/72/78/34/505727834.db2.gz ANIHWTPLVWDTQJ-UHFFFAOYSA-N -1 3 364.384 3.425 20 0 FGADHM O=C(Nc1ccc2c(c1)nc1n2CCCCC1)c1cc(F)cc2n[n-]nc21 ZINC000568584047 505727837 /nfs/dbraw/zinc/72/78/37/505727837.db2.gz ANIHWTPLVWDTQJ-UHFFFAOYSA-N -1 3 364.384 3.425 20 0 FGADHM CC(F)(F)c1ccc(C(=O)Nc2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)cc1 ZINC000568583897 505728111 /nfs/dbraw/zinc/72/81/11/505728111.db2.gz HUORFFTWDJCZCU-GOSISDBHSA-N -1 3 373.359 3.105 20 0 FGADHM O=C([N-]c1nnc(-c2ccccn2)s1)c1ccn(-c2ccc(F)cc2)n1 ZINC000046756903 494562348 /nfs/dbraw/zinc/56/23/48/494562348.db2.gz LQTYCJLKGOBJRP-UHFFFAOYSA-N -1 3 366.381 3.177 20 0 FGADHM O=S(=O)(CCC1CC1)[N-]c1ccc(OC(F)F)cc1OC(F)F ZINC000092262908 494578684 /nfs/dbraw/zinc/57/86/84/494578684.db2.gz USCWUYMNPORPLT-UHFFFAOYSA-N -1 3 357.325 3.431 20 0 FGADHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)OC)o1)c1cccc(Cl)c1 ZINC000107699299 494586158 /nfs/dbraw/zinc/58/61/58/494586158.db2.gz XJEJBBIQBKETFI-GFCCVEGCSA-N -1 3 357.815 3.149 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cnn(C(C)C)c3C)c2)n1 ZINC000092297544 494588339 /nfs/dbraw/zinc/58/83/39/494588339.db2.gz DALSGSXIFUPEHP-UHFFFAOYSA-N -1 3 365.437 3.337 20 0 FGADHM O=S(=O)([N-][C@H]1C[C@H](c2ccc(Br)cc2)C1)c1ccccn1 ZINC000574248778 505729961 /nfs/dbraw/zinc/72/99/61/505729961.db2.gz BLSLALNNFCYDBU-MQMHXKEQSA-N -1 3 367.268 3.069 20 0 FGADHM CO[C@H](C[N-]S(=O)(=O)Cc1cc(Cl)ccc1F)c1ccccc1 ZINC000131362781 494593803 /nfs/dbraw/zinc/59/38/03/494593803.db2.gz XZDZEMDSGZKBMC-MRXNPFEDSA-N -1 3 357.834 3.286 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)N[C@H]1CCN(c2cccc(Cl)c2)C1 ZINC000080147959 494613707 /nfs/dbraw/zinc/61/37/07/494613707.db2.gz SAEBUQAZSOZOML-AWEZNQCLSA-N -1 3 363.820 3.263 20 0 FGADHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)cc1NC(C)=O ZINC000024437747 494629107 /nfs/dbraw/zinc/62/91/07/494629107.db2.gz RRBMTIAUNJRIDU-UHFFFAOYSA-N -1 3 374.462 3.333 20 0 FGADHM C[C@H](C(=O)Nc1ccc(Br)cc1)[S@](=O)c1ccc([O-])cc1 ZINC000108084618 494644866 /nfs/dbraw/zinc/64/48/66/494644866.db2.gz KOYGIXJGCFZPEI-LADRHHBVSA-N -1 3 368.252 3.290 20 0 FGADHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cccs2)CCN1Cc1ccccc1 ZINC000080275825 494660966 /nfs/dbraw/zinc/66/09/66/494660966.db2.gz REMRGEXDUTZCNI-ZBFHGGJFSA-N -1 3 350.509 3.080 20 0 FGADHM CC[C@H](C)CS(=O)(=O)[N-][C@H](C)c1noc(-c2ccc(Cl)cc2)n1 ZINC000080279424 494662174 /nfs/dbraw/zinc/66/21/74/494662174.db2.gz ZMCWCMITIOIDFF-WDEREUQCSA-N -1 3 357.863 3.417 20 0 FGADHM Cc1ccc(C(=O)Nc2ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)c([O-])c1 ZINC000126184334 494663579 /nfs/dbraw/zinc/66/35/79/494663579.db2.gz CKQOQWJHXIEVTJ-GASCZTMLSA-N -1 3 368.433 3.202 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N3CCc4cccc(F)c4C3)c[n-]c12 ZINC000092569152 494670427 /nfs/dbraw/zinc/67/04/27/494670427.db2.gz QJKAYPXPGZSFRA-UHFFFAOYSA-N -1 3 354.356 3.313 20 0 FGADHM Cn1cccc([N-]S(=O)(=O)c2csc3ccc(Cl)cc32)c1=O ZINC000080309632 494674371 /nfs/dbraw/zinc/67/43/71/494674371.db2.gz UXMLACXSIQEEPY-UHFFFAOYSA-N -1 3 354.840 3.054 20 0 FGADHM Cc1ccc([O-])c(C(=O)N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)c1 ZINC000047293074 494674998 /nfs/dbraw/zinc/67/49/98/494674998.db2.gz KGJMTCVRDXQXFJ-UHFFFAOYSA-N -1 3 373.840 3.240 20 0 FGADHM COC(=O)C1(c2ccccc2)CCN(C(=O)c2ccc(C)cc2[O-])CC1 ZINC000025053181 494693843 /nfs/dbraw/zinc/69/38/43/494693843.db2.gz KWVNKPRIIYKOGL-UHFFFAOYSA-N -1 3 353.418 3.048 20 0 FGADHM CC(C)CCn1cc(C(=O)[N-]c2nnc(Cc3ccc(F)cc3)s2)nn1 ZINC000131669343 494694091 /nfs/dbraw/zinc/69/40/91/494694091.db2.gz HXGFEGLLPPVZJV-UHFFFAOYSA-N -1 3 374.445 3.158 20 0 FGADHM CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)Nc1ccccc1[O-] ZINC000047430831 494705699 /nfs/dbraw/zinc/70/56/99/494705699.db2.gz VHLYMGYSBORMMT-MRXNPFEDSA-N -1 3 354.406 3.034 20 0 FGADHM Cc1csc([C@@H](C)[N-]S(=O)(=O)c2cccc(Br)c2)n1 ZINC000067950901 494707645 /nfs/dbraw/zinc/70/76/45/494707645.db2.gz OCWUEOKYYIRKMW-SECBINFHSA-N -1 3 361.286 3.254 20 0 FGADHM CCCN(CC(=O)Nc1ccccc1C)C(=O)c1ccc(OC)cc1[O-] ZINC000126325248 494710812 /nfs/dbraw/zinc/71/08/12/494710812.db2.gz ARAZJSGRGOUQFN-UHFFFAOYSA-N -1 3 356.422 3.200 20 0 FGADHM O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1cc(Cl)ccc1[O-] ZINC000075284754 494718796 /nfs/dbraw/zinc/71/87/96/494718796.db2.gz PIDLDFFJBCWMRE-UHFFFAOYSA-N -1 3 358.781 3.061 20 0 FGADHM Cc1ccncc1N1CCN(Cc2cc([O-])cc(C(F)(F)F)c2)CC1 ZINC000571457785 505737829 /nfs/dbraw/zinc/73/78/29/505737829.db2.gz SKWCKUDEJHJBJC-UHFFFAOYSA-N -1 3 351.372 3.437 20 0 FGADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1ccc2nc(-c3ccccn3)oc2c1 ZINC000121374055 494726678 /nfs/dbraw/zinc/72/66/78/494726678.db2.gz NCKKUOUBYHXQJJ-MRXNPFEDSA-N -1 3 354.366 3.470 20 0 FGADHM O=C([N-]O[C@@H]1CCCCO1)Nc1ccc2nc(-c3ccccn3)oc2c1 ZINC000121374055 494726685 /nfs/dbraw/zinc/72/66/85/494726685.db2.gz NCKKUOUBYHXQJJ-MRXNPFEDSA-N -1 3 354.366 3.470 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-][C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000121382730 494730655 /nfs/dbraw/zinc/73/06/55/494730655.db2.gz UZNNSJANCBGOAB-NSHDSACASA-N -1 3 364.448 3.451 20 0 FGADHM CCCCc1nc(C(=O)OCC)c(NC(=O)c2cn(C(C)C)nc2C)[n-]1 ZINC000571460364 505738704 /nfs/dbraw/zinc/73/87/04/505738704.db2.gz QZJKOUPQRQXOFB-UHFFFAOYSA-N -1 3 361.446 3.267 20 0 FGADHM CCCCc1nc(NC(=O)c2cn(C(C)C)nc2C)c(C(=O)OCC)[n-]1 ZINC000571460364 505738708 /nfs/dbraw/zinc/73/87/08/505738708.db2.gz QZJKOUPQRQXOFB-UHFFFAOYSA-N -1 3 361.446 3.267 20 0 FGADHM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3cccc(-c4nccn4C)c3)ccc2O1 ZINC000108638775 494753583 /nfs/dbraw/zinc/75/35/83/494753583.db2.gz GKJRLHNVIUTZCH-ZDUSSCGKSA-N -1 3 369.446 3.211 20 0 FGADHM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(OCc3nccn3C)cc2)c1 ZINC000108639288 494755045 /nfs/dbraw/zinc/75/50/45/494755045.db2.gz QWRAHBFTJFHAHU-UHFFFAOYSA-N -1 3 371.462 3.417 20 0 FGADHM COc1cccc(C(=O)N2CCC(OCc3ccccc3F)CC2)c1[O-] ZINC000092054243 494770169 /nfs/dbraw/zinc/77/01/69/494770169.db2.gz IVLUKECNNXTSGQ-UHFFFAOYSA-N -1 3 359.397 3.361 20 0 FGADHM NC(=O)CCSc1ccccc1[N-]C(=O)c1cc(F)c(F)c(F)c1F ZINC000108721737 494771288 /nfs/dbraw/zinc/77/12/88/494771288.db2.gz ZWCXXDUQPIIVPF-UHFFFAOYSA-N -1 3 372.343 3.463 20 0 FGADHM COc1cc(F)c([N-]S(=O)(=O)c2ccc(OC)c(Cl)c2)cc1F ZINC000126499539 494771662 /nfs/dbraw/zinc/77/16/62/494771662.db2.gz WJERZCANXUMMHV-UHFFFAOYSA-N -1 3 363.769 3.436 20 0 FGADHM COCCOCc1nc(=O)c2c3c(sc2[n-]1)C[C@@H](c1ccccc1)CC3 ZINC000080715568 494775183 /nfs/dbraw/zinc/77/51/83/494775183.db2.gz DPLFJPHQIPSFFJ-AWEZNQCLSA-N -1 3 370.474 3.420 20 0 FGADHM C[C@H]1CCN(C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)[C@@H](c2ccco2)C1 ZINC000075546872 494790984 /nfs/dbraw/zinc/79/09/84/494790984.db2.gz KYFRCGFJTDRCPM-XHDPSFHLSA-N -1 3 353.378 3.168 20 0 FGADHM CC(C)CCn1cccc1CN1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000092937847 494791762 /nfs/dbraw/zinc/79/17/62/494791762.db2.gz XTLJEIRMYNIXMA-UHFFFAOYSA-N -1 3 355.482 3.198 20 0 FGADHM C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)c1ccc([O-])c(Cl)c1 ZINC000116467595 494793241 /nfs/dbraw/zinc/79/32/41/494793241.db2.gz GOUDZUOSUZGHJQ-DYVFJYSZSA-N -1 3 359.857 3.081 20 0 FGADHM O=C(NCc1cccc(COCC(F)(F)F)c1)c1c([O-])cccc1O ZINC000092125864 494797109 /nfs/dbraw/zinc/79/71/09/494797109.db2.gz NAFRPYVZYSDUMS-UHFFFAOYSA-N -1 3 355.312 3.107 20 0 FGADHM CS(=O)(=O)[N-]c1cc(NC(=O)c2ccccc2OC(F)F)ccc1F ZINC000026294722 494816224 /nfs/dbraw/zinc/81/62/24/494816224.db2.gz GWIPELJDMYEKRU-UHFFFAOYSA-N -1 3 374.340 3.051 20 0 FGADHM C[C@H](Cc1cccs1)[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000026880314 494843569 /nfs/dbraw/zinc/84/35/69/494843569.db2.gz SXWHJTJWZDHDJB-MRVPVSSYSA-N -1 3 366.327 3.482 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N2CCc3ccc(Cl)cc32)c([O-])c1 ZINC000116775124 494851405 /nfs/dbraw/zinc/85/14/05/494851405.db2.gz AZFUJTVURZTWDW-UHFFFAOYSA-N -1 3 358.825 3.063 20 0 FGADHM CC(C)[C@H](CNC(=O)c1ccc([N-]S(C)(=O)=O)cc1)c1ccccc1 ZINC000116970308 494877738 /nfs/dbraw/zinc/87/77/38/494877738.db2.gz DLJRATNPBFHZJR-SFHVURJKSA-N -1 3 360.479 3.228 20 0 FGADHM CC1CCC([N-]S(=O)(=O)Cc2nc(-c3cccc(Cl)c3)no2)CC1 ZINC000109468696 494879314 /nfs/dbraw/zinc/87/93/14/494879314.db2.gz MLZRXKIANXVKQX-UHFFFAOYSA-N -1 3 369.874 3.388 20 0 FGADHM COc1ccc([C@@H](CNC(=O)c2ccccc2[O-])N2CCCCC2)cc1 ZINC000027667622 494881095 /nfs/dbraw/zinc/88/10/95/494881095.db2.gz AVYHHLWKDNBOHG-LJQANCHMSA-N -1 3 354.450 3.358 20 0 FGADHM Cc1cc([C@H]2CN(C(=O)NCc3ccc([O-])c(F)c3)CCO2)ccc1F ZINC000121888963 494883307 /nfs/dbraw/zinc/88/33/07/494883307.db2.gz WFRVZVXASIKCBK-GOSISDBHSA-N -1 3 362.376 3.262 20 0 FGADHM Cc1ccc(OCCC(=O)N=c2cc3ccccn3[n-]2)c(Br)c1 ZINC000568666243 505747869 /nfs/dbraw/zinc/74/78/69/505747869.db2.gz NWGBSQPQIQASKL-UHFFFAOYSA-N -1 3 374.238 3.235 20 0 FGADHM C[C@@H](Sc1n[n-]c(-c2ccccn2)n1)C(=O)N1CCCc2ccccc21 ZINC000117114310 494891793 /nfs/dbraw/zinc/89/17/93/494891793.db2.gz IRPLQYVCOIMGKE-CYBMUJFWSA-N -1 3 365.462 3.327 20 0 FGADHM C[C@@H](Sc1n[n-]c(-c2ccccn2)n1)C(=O)Nc1ccc(Cl)cn1 ZINC000117113618 494891857 /nfs/dbraw/zinc/89/18/57/494891857.db2.gz PMEPGJLKUZBNQX-SECBINFHSA-N -1 3 360.830 3.034 20 0 FGADHM c1ccc(Cc2nc(CSc3n[n-]c(-c4ccccn4)n3)no2)cc1 ZINC000117113259 494892296 /nfs/dbraw/zinc/89/22/96/494892296.db2.gz MXNGTYYZIVQVQD-UHFFFAOYSA-N -1 3 350.407 3.133 20 0 FGADHM C[C@@H](c1ccc(F)cc1)N(C)C(=O)CSc1n[n-]c(-c2ccccn2)n1 ZINC000117112931 494892510 /nfs/dbraw/zinc/89/25/10/494892510.db2.gz TYUVZKMGMRPVLS-LBPRGKRZSA-N -1 3 371.441 3.318 20 0 FGADHM C[C@H](Sc1n[n-]c(-c2ccccn2)n1)C(=O)Nc1cc(F)ccc1F ZINC000117115879 494893178 /nfs/dbraw/zinc/89/31/78/494893178.db2.gz FCRKKIKNYNDBQR-VIFPVBQESA-N -1 3 361.377 3.264 20 0 FGADHM CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2n[n-]c(-c3ccccn3)n2)c1C ZINC000117115180 494893534 /nfs/dbraw/zinc/89/35/34/494893534.db2.gz BIHYDWUNOMJNNA-GFCCVEGCSA-N -1 3 369.450 3.378 20 0 FGADHM COc1ccc(C)cc1NC(=O)[C@H](C)Sc1n[n-]c(-c2ccccn2)n1 ZINC000117115219 494893569 /nfs/dbraw/zinc/89/35/69/494893569.db2.gz OKRMITVSAHPCQP-LBPRGKRZSA-N -1 3 369.450 3.303 20 0 FGADHM COc1ccc(C(=O)Nc2nnc(-c3ccccn3)[n-]2)cc1-c1ccccn1 ZINC000121948231 494896953 /nfs/dbraw/zinc/89/69/53/494896953.db2.gz BBXYBCYWTFYSFB-UHFFFAOYSA-N -1 3 372.388 3.190 20 0 FGADHM COc1ccc(C(=O)Nc2nc(-c3ccccn3)n[n-]2)cc1-c1ccccn1 ZINC000121948231 494896956 /nfs/dbraw/zinc/89/69/56/494896956.db2.gz BBXYBCYWTFYSFB-UHFFFAOYSA-N -1 3 372.388 3.190 20 0 FGADHM COc1ccc(C(=O)Nc2n[n-]c(-c3ccccn3)n2)cc1-c1ccccn1 ZINC000121948231 494896958 /nfs/dbraw/zinc/89/69/58/494896958.db2.gz BBXYBCYWTFYSFB-UHFFFAOYSA-N -1 3 372.388 3.190 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NC3CC3)c2)c(C)c1C ZINC000117227606 494901976 /nfs/dbraw/zinc/90/19/76/494901976.db2.gz JOFWOXZQMSBSKF-UHFFFAOYSA-N -1 3 374.462 3.005 20 0 FGADHM CC(C)Sc1ccccc1[N-]C(=O)c1ccc(CNS(C)(=O)=O)o1 ZINC000122070862 494918978 /nfs/dbraw/zinc/91/89/78/494918978.db2.gz XRRMNAAKWZWNQZ-UHFFFAOYSA-N -1 3 368.480 3.082 20 0 FGADHM C[C@H](Sc1ccccc1Cl)C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000109875928 494928641 /nfs/dbraw/zinc/92/86/41/494928641.db2.gz WBOTXGBDHKDKJP-NSHDSACASA-N -1 3 373.869 3.317 20 0 FGADHM C[C@H](Sc1ccccc1Cl)C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000109875928 494928644 /nfs/dbraw/zinc/92/86/44/494928644.db2.gz WBOTXGBDHKDKJP-NSHDSACASA-N -1 3 373.869 3.317 20 0 FGADHM CN(C)CCOc1cccc(CNC(=O)c2cc3ccccc3cc2[O-])c1 ZINC000117614322 494937522 /nfs/dbraw/zinc/93/75/22/494937522.db2.gz NAFIQMFSCWNLTP-UHFFFAOYSA-N -1 3 364.445 3.416 20 0 FGADHM O=C(Nc1ccccc1[O-])[C@H]1CCC[C@H](C(=O)Nc2ccccc2O)C1 ZINC000127386801 494937827 /nfs/dbraw/zinc/93/78/27/494937827.db2.gz MXWOXXNLKWAGCE-KBPBESRZSA-N -1 3 354.406 3.481 20 0 FGADHM CCc1ccc([O-])c(C(=O)Nc2cccc(OCC(=O)N3CCCC3)c2)c1 ZINC000093948447 494938270 /nfs/dbraw/zinc/93/82/70/494938270.db2.gz HJJYQDPWBJEKON-UHFFFAOYSA-N -1 3 368.433 3.208 20 0 FGADHM CC(C)(C(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)cc1 ZINC000110001858 494938737 /nfs/dbraw/zinc/93/87/37/494938737.db2.gz SPKQNFTZKMBOMG-UHFFFAOYSA-N -1 3 355.829 3.114 20 0 FGADHM CC(C)(C(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)cc1 ZINC000110001858 494938740 /nfs/dbraw/zinc/93/87/40/494938740.db2.gz SPKQNFTZKMBOMG-UHFFFAOYSA-N -1 3 355.829 3.114 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C3C[C@H](C)O[C@@H](C)C3)c2)n1 ZINC000094015723 494939856 /nfs/dbraw/zinc/93/98/56/494939856.db2.gz NXSVAOYLXBGEIW-STQMWFEESA-N -1 3 355.438 3.141 20 0 FGADHM COc1ccccc1[C@@H]1CCCN1C(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000122215440 494942165 /nfs/dbraw/zinc/94/21/65/494942165.db2.gz MZWODOXDWDCXRQ-KRWDZBQOSA-N -1 3 354.406 3.337 20 0 FGADHM Cc1nc(C)c(CC(=O)N(CCc2ccc(F)cc2)C2CCCC2)c(=O)[n-]1 ZINC000122246626 494946482 /nfs/dbraw/zinc/94/64/82/494946482.db2.gz PGYCOKQZPKSGPY-UHFFFAOYSA-N -1 3 371.456 3.082 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](c2ccccc2)c2ccncc2)c1 ZINC000122247017 494946554 /nfs/dbraw/zinc/94/65/54/494946554.db2.gz CLKMSBYOHCAXBD-FQEVSTJZSA-N -1 3 361.401 3.265 20 0 FGADHM O=C(c1ccc([O-])cc1)C1CCN(C[C@H](O)c2ccc(F)cc2F)CC1 ZINC000122249629 494946835 /nfs/dbraw/zinc/94/68/35/494946835.db2.gz UPIOZWFOJGDPQN-IBGZPJMESA-N -1 3 361.388 3.299 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](c2nccs2)c2ccccc2)c1 ZINC000122281767 494951550 /nfs/dbraw/zinc/95/15/50/494951550.db2.gz AMXQDXYKKKDWKF-KRWDZBQOSA-N -1 3 367.430 3.327 20 0 FGADHM O=C(COc1ccc(F)cc1Cl)[N-]c1nncn1Cc1ccccc1 ZINC000117737578 494951473 /nfs/dbraw/zinc/95/14/73/494951473.db2.gz FNLDLKGTWKCCCY-UHFFFAOYSA-N -1 3 360.776 3.136 20 0 FGADHM CCN1CCCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])CC1 ZINC000094125535 494952477 /nfs/dbraw/zinc/95/24/77/494952477.db2.gz IKKGZTMOTSFSTJ-UHFFFAOYSA-N -1 3 352.478 3.345 20 0 FGADHM CN(C)S(=O)(=O)c1ccsc1C(=O)[N-]c1nc(C(C)(C)C)cs1 ZINC000110168931 494954392 /nfs/dbraw/zinc/95/43/92/494954392.db2.gz QVQSRMPFFCYXJP-UHFFFAOYSA-N -1 3 373.525 3.005 20 0 FGADHM C[C@H](C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)c1cccs1 ZINC000133041064 494959792 /nfs/dbraw/zinc/95/97/92/494959792.db2.gz KXOUSEDCMQLAPR-JTQLQIEISA-N -1 3 368.455 3.070 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)N[C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000133043728 494960379 /nfs/dbraw/zinc/96/03/79/494960379.db2.gz XZGYBPORYLIJAN-QAPCUYQASA-N -1 3 358.413 3.498 20 0 FGADHM COc1cc2c(cc1CNC(=O)Cc1ccc([O-])cc1Cl)O[C@@H](C)C2 ZINC000127587212 494966647 /nfs/dbraw/zinc/96/66/47/494966647.db2.gz FINPTLSJVKIRNN-NSHDSACASA-N -1 3 361.825 3.237 20 0 FGADHM Cc1ccccc1OCCCNC(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000133104950 494969591 /nfs/dbraw/zinc/96/95/91/494969591.db2.gz LINRLVYWPTYVRF-UHFFFAOYSA-N -1 3 368.408 3.483 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)c(F)c2)c(C)c1 ZINC000118161549 494979083 /nfs/dbraw/zinc/97/90/83/494979083.db2.gz LTPODRMZRXXEOK-UHFFFAOYSA-N -1 3 361.398 3.129 20 0 FGADHM O=S(=O)([N-]c1ccc(-n2ccnc2)c(F)c1)c1ccc2c(c1)CCC2 ZINC000118161572 494979458 /nfs/dbraw/zinc/97/94/58/494979458.db2.gz QZNRGYUBBUXYMZ-UHFFFAOYSA-N -1 3 357.410 3.301 20 0 FGADHM Cc1cccc(C(=O)NCc2cccc(COC3CCOCC3)c2)c1[O-] ZINC000110561464 494988721 /nfs/dbraw/zinc/98/87/21/494988721.db2.gz PWQRTPXEKKFZCJ-UHFFFAOYSA-N -1 3 355.434 3.326 20 0 FGADHM C[C@@H](CSc1ccccc1)C(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000110619649 494994864 /nfs/dbraw/zinc/99/48/64/494994864.db2.gz ZTMKBIPBDMFMKK-ZDUSSCGKSA-N -1 3 364.492 3.425 20 0 FGADHM Cc1ccc(NC(=O)[C@@H](C(C)C)n2nnc(-c3ccccc3)n2)c([O-])c1 ZINC000122591550 494999891 /nfs/dbraw/zinc/99/98/91/494999891.db2.gz CZUYUUOWUKOVLZ-QGZVFWFLSA-N -1 3 351.410 3.190 20 0 FGADHM CCS[C@H](C)c1noc(CN(C)C(=O)Cc2ccc([O-])cc2Cl)n1 ZINC000122655280 495010841 /nfs/dbraw/zinc/01/08/41/495010841.db2.gz CEDQOLMHLCDGEQ-SNVBAGLBSA-N -1 3 369.874 3.444 20 0 FGADHM 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3.277 20 0 FGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)c2cc(C)c3ccccc3n2)c1 ZINC000173972517 495770490 /nfs/dbraw/zinc/77/04/90/495770490.db2.gz OIDLHIDXQMJKAO-UHFFFAOYSA-N -1 3 369.446 3.475 20 0 FGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)Cc2cccc(Cl)c2)c1 ZINC000173975872 495771648 /nfs/dbraw/zinc/77/16/48/495771648.db2.gz HJIRJQAPEBMPLN-UHFFFAOYSA-N -1 3 352.843 3.201 20 0 FGADHM COc1cc(CNC(=O)Cc2ccc([O-])cc2Cl)c2ccccc2n1 ZINC000154919992 495771937 /nfs/dbraw/zinc/77/19/37/495771937.db2.gz QQPVMVZQQGWFAT-UHFFFAOYSA-N -1 3 356.809 3.461 20 0 FGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)C[C@H]2CCOc3ccccc32)c1 ZINC000173977685 495772667 /nfs/dbraw/zinc/77/26/67/495772667.db2.gz RZIJUDZGCZXATR-CQSZACIVSA-N -1 3 374.462 3.261 20 0 FGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)[C@H](C)c2cccc(F)c2)c1 ZINC000173979528 495773872 /nfs/dbraw/zinc/77/38/72/495773872.db2.gz ZIMMSWQYWFCLDA-GFCCVEGCSA-N -1 3 350.415 3.248 20 0 FGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)[C@H](C)Cc2ccccc2F)c1 ZINC000173980017 495774140 /nfs/dbraw/zinc/77/41/40/495774140.db2.gz FQROIZUORNAKHG-CYBMUJFWSA-N -1 3 364.442 3.323 20 0 FGADHM O=C(Nc1nnc(-c2ccco2)[n-]1)c1ccc(OCc2ccccc2)nc1 ZINC000171244903 495786067 /nfs/dbraw/zinc/78/60/67/495786067.db2.gz WTAGGFHBIVQPQR-UHFFFAOYSA-N -1 3 361.361 3.291 20 0 FGADHM O=C(Nc1nc(-c2ccco2)n[n-]1)c1ccc(OCc2ccccc2)nc1 ZINC000171244903 495786073 /nfs/dbraw/zinc/78/60/73/495786073.db2.gz WTAGGFHBIVQPQR-UHFFFAOYSA-N -1 3 361.361 3.291 20 0 FGADHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1ccc(OCc2ccccc2)nc1 ZINC000171244903 495786076 /nfs/dbraw/zinc/78/60/76/495786076.db2.gz WTAGGFHBIVQPQR-UHFFFAOYSA-N -1 3 361.361 3.291 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)Cc1cccc2cccnc21)c1nc(C(C)(C)C)no1 ZINC000174035775 495797377 /nfs/dbraw/zinc/79/73/77/495797377.db2.gz HPUFBRNKNWLMNS-GFCCVEGCSA-N -1 3 374.466 3.096 20 0 FGADHM C[C@@H](CC(=O)Nc1ccccc1[N-]S(C)(=O)=O)c1ccc(F)cc1F ZINC000154994520 495797564 /nfs/dbraw/zinc/79/75/64/495797564.db2.gz ZOGSKUCWFCVHKE-NSHDSACASA-N -1 3 368.405 3.469 20 0 FGADHM C[C@@H]1CN(CC2CCN(C(=O)c3ccc(Cl)cc3[O-])CC2)C[C@@H](C)O1 ZINC000171275790 495801039 /nfs/dbraw/zinc/80/10/39/495801039.db2.gz COMGZOZRBYBPEI-ZIAGYGMSSA-N -1 3 366.889 3.007 20 0 FGADHM CNC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cccc(C)c2Cl)c1 ZINC000179974362 495806727 /nfs/dbraw/zinc/80/67/27/495806727.db2.gz HIYBRYYCKHVWDH-UHFFFAOYSA-N -1 3 373.261 3.462 20 0 FGADHM Cc1nn(-c2ccccc2)cc1C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000183038158 495808399 /nfs/dbraw/zinc/80/83/99/495808399.db2.gz JIQHLAWSHUYLQH-UHFFFAOYSA-N -1 3 367.883 3.374 20 0 FGADHM Cc1nc(C)c(S(=O)(=O)[N-][C@@H](c2ccccc2)c2ccncc2)s1 ZINC000176845607 495808354 /nfs/dbraw/zinc/80/83/54/495808354.db2.gz VHGXCZSZIBDVNS-INIZCTEOSA-N -1 3 359.476 3.223 20 0 FGADHM Cc1cc(C)c(C(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)o1 ZINC000176853257 495811841 /nfs/dbraw/zinc/81/18/41/495811841.db2.gz BXIGIGOQAQWUTD-UHFFFAOYSA-N -1 3 368.430 3.365 20 0 FGADHM CSc1ccc(N2C[C@@H](C(=O)Nc3c(C)cccc3[O-])CC2=O)cc1 ZINC000183064896 495819719 /nfs/dbraw/zinc/81/97/19/495819719.db2.gz CVCNKDNAJKKOCW-ZDUSSCGKSA-N -1 3 356.447 3.414 20 0 FGADHM CC(C)(C)C[C@H](NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)C(F)(F)F ZINC000180020259 495826595 /nfs/dbraw/zinc/82/65/95/495826595.db2.gz ODDUTAMOHNRHBK-NSHDSACASA-N -1 3 357.332 3.059 20 0 FGADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3occc3Br)cc2)n1 ZINC000176900205 495834097 /nfs/dbraw/zinc/83/40/97/495834097.db2.gz NBJVHGHERXSPOA-UHFFFAOYSA-N -1 3 374.194 3.353 20 0 FGADHM Cc1cccc2c(=O)c(C(=O)N3CCC(O)(c4ccccc4)CC3)c[n-]c12 ZINC000186054824 495839177 /nfs/dbraw/zinc/83/91/77/495839177.db2.gz XICCAIFHQURRFP-UHFFFAOYSA-N -1 3 362.429 3.373 20 0 FGADHM CC[C@@](C)([N-]S(=O)(=O)c1ccc(OC)c(Cl)c1)c1nccs1 ZINC000151479882 495852630 /nfs/dbraw/zinc/85/26/30/495852630.db2.gz RIILMYDBOCUWTB-CQSZACIVSA-N -1 3 360.888 3.409 20 0 FGADHM O=c1c(Br)c[nH]cc1[N-]S(=O)(=O)c1ccccc1Cl ZINC000180116271 495864019 /nfs/dbraw/zinc/86/40/19/495864019.db2.gz XOPLMGJDWRHFNU-UHFFFAOYSA-N -1 3 363.620 3.004 20 0 FGADHM CC[C@H](NC(=O)c1c[n-]c2c(C)cc(F)cc2c1=O)c1c(C)nn(C)c1C ZINC000155200544 495874263 /nfs/dbraw/zinc/87/42/63/495874263.db2.gz NORORJVPJWGEKL-INIZCTEOSA-N -1 3 370.428 3.207 20 0 FGADHM Cc1cc(C(=O)Nc2nnc(-c3ccccn3)[n-]2)nn1-c1cc(C)cc(C)c1 ZINC000180153614 495882912 /nfs/dbraw/zinc/88/29/12/495882912.db2.gz PTCJUOPPFMUXLG-UHFFFAOYSA-N -1 3 373.420 3.230 20 0 FGADHM Cc1cc(C(=O)Nc2nc(-c3ccccn3)n[n-]2)nn1-c1cc(C)cc(C)c1 ZINC000180153614 495882914 /nfs/dbraw/zinc/88/29/14/495882914.db2.gz PTCJUOPPFMUXLG-UHFFFAOYSA-N -1 3 373.420 3.230 20 0 FGADHM Cc1cc(C(=O)Nc2n[n-]c(-c3ccccn3)n2)nn1-c1cc(C)cc(C)c1 ZINC000180153614 495882919 /nfs/dbraw/zinc/88/29/19/495882919.db2.gz PTCJUOPPFMUXLG-UHFFFAOYSA-N -1 3 373.420 3.230 20 0 FGADHM [O-]c1cc(F)cc(CN2CCN(c3ccc(Br)cn3)CC2)c1 ZINC000186179386 495887045 /nfs/dbraw/zinc/88/70/45/495887045.db2.gz MXHGBGHKEJWLGD-UHFFFAOYSA-N -1 3 366.234 3.011 20 0 FGADHM O=C(Nc1nnc(C2CCOCC2)s1)c1ccc2c(c1[O-])CCCC2 ZINC000580669314 505810081 /nfs/dbraw/zinc/81/00/81/505810081.db2.gz CKUDSHNFRXJTRW-UHFFFAOYSA-N -1 3 359.451 3.269 20 0 FGADHM O=C(c1ccc2c(c1[O-])CCCC2)N1CCC(c2nncn2C2CC2)CC1 ZINC000186197797 495893431 /nfs/dbraw/zinc/89/34/31/495893431.db2.gz YVARLLHKUSGYTA-UHFFFAOYSA-N -1 3 366.465 3.217 20 0 FGADHM C[C@@H]1C[C@H](C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)CC(C)(C)C1 ZINC000183247059 495897056 /nfs/dbraw/zinc/89/70/56/495897056.db2.gz GLPHBZLXCVTXGD-CVEARBPZSA-N -1 3 358.482 3.139 20 0 FGADHM COc1cc(CN(Cc2cc(=O)oc3cc([O-])ccc23)C2CC2)ccc1O ZINC000180202462 495904405 /nfs/dbraw/zinc/90/44/05/495904405.db2.gz WKBUMNNIDHVGAY-UHFFFAOYSA-N -1 3 367.401 3.377 20 0 FGADHM CN(Cc1cc([O-])cc(F)c1)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000186240106 495908886 /nfs/dbraw/zinc/90/88/86/495908886.db2.gz JUDHNJFUTVNDES-UHFFFAOYSA-N -1 3 355.312 3.493 20 0 FGADHM O=S(=O)([N-][C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1)c1ccccn1 ZINC000571770597 505811568 /nfs/dbraw/zinc/81/15/68/505811568.db2.gz MJJSZDSHNXCQFT-MQMHXKEQSA-N -1 3 356.369 3.325 20 0 FGADHM O=C(NC1CCN(Cc2ccccc2)CC1)c1cc(F)c(F)c([O-])c1F ZINC000183298412 495920021 /nfs/dbraw/zinc/92/00/21/495920021.db2.gz UCEJUUNNLSWRPU-UHFFFAOYSA-N -1 3 364.367 3.204 20 0 FGADHM Cc1cc(CNC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])ccc1Cl ZINC000186303281 495937992 /nfs/dbraw/zinc/93/79/92/495937992.db2.gz NTEPFTXGUGTXTO-KRWDZBQOSA-N -1 3 372.852 3.275 20 0 FGADHM O=S(=O)([N-]c1cncc(Cl)c1Cl)c1cnn(-c2ccccc2)c1 ZINC000180290682 495939075 /nfs/dbraw/zinc/93/90/75/495939075.db2.gz FAECBBAGHFLAAC-UHFFFAOYSA-N -1 3 369.233 3.375 20 0 FGADHM COc1ccccc1SC[C@@H](C)CNC(=O)c1ccc2n[n-]nc2c1 ZINC000171590886 495939524 /nfs/dbraw/zinc/93/95/24/495939524.db2.gz XGOKOFCFNVHOBH-LBPRGKRZSA-N -1 3 356.451 3.125 20 0 FGADHM CCN(C(=O)c1ccc(OC)cc1[O-])[C@@H]1CCN(Cc2ccccc2)C1 ZINC000186328956 495950395 /nfs/dbraw/zinc/95/03/95/495950395.db2.gz CAYLNSXNQOTVOE-QGZVFWFLSA-N -1 3 354.450 3.137 20 0 FGADHM COc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C)CC(=O)c2ccccc2)c1 ZINC000151903676 495986767 /nfs/dbraw/zinc/98/67/67/495986767.db2.gz ULUZEBHOYDFAHY-LBPRGKRZSA-N -1 3 367.854 3.288 20 0 FGADHM COCc1cccc(CNC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)c1 ZINC000155568825 495998361 /nfs/dbraw/zinc/99/83/61/495998361.db2.gz RHJSDBXFVKNODA-UHFFFAOYSA-N -1 3 354.381 3.052 20 0 FGADHM Cc1ccc(NC(=O)c2cccc3nn[n-]c32)c(OC[C@@H]2CCCO2)c1 ZINC000183474985 496000312 /nfs/dbraw/zinc/00/03/12/496000312.db2.gz KJPPUEBFAYBXSF-ZDUSSCGKSA-N -1 3 352.394 3.076 20 0 FGADHM Cc1ccc(NC(=O)c2cccc3[n-]nnc32)c(OC[C@@H]2CCCO2)c1 ZINC000183474985 496000318 /nfs/dbraw/zinc/00/03/18/496000318.db2.gz KJPPUEBFAYBXSF-ZDUSSCGKSA-N -1 3 352.394 3.076 20 0 FGADHM Cc1ccc(NC(=O)c2cccc3n[n-]nc32)c(OC[C@@H]2CCCO2)c1 ZINC000183474985 496000326 /nfs/dbraw/zinc/00/03/26/496000326.db2.gz KJPPUEBFAYBXSF-ZDUSSCGKSA-N -1 3 352.394 3.076 20 0 FGADHM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C[C@H](C)c2nc(C)cs2)c1 ZINC000186465183 496008622 /nfs/dbraw/zinc/00/86/22/496008622.db2.gz OOPAECYUOPDDQC-VIFPVBQESA-N -1 3 372.899 3.390 20 0 FGADHM Cc1cccc2c(=O)c(C(=O)Nc3cc(C(F)(F)F)c[nH]c3=O)c[n-]c12 ZINC000155610887 496012216 /nfs/dbraw/zinc/01/22/16/496012216.db2.gz HJGHUSABMZCAFP-UHFFFAOYSA-N -1 3 363.295 3.208 20 0 FGADHM [O-]c1ccc(CNc2ncc(Br)cn2)cc1Br ZINC000155628754 496018174 /nfs/dbraw/zinc/01/81/74/496018174.db2.gz KFPILXICXAFVRZ-UHFFFAOYSA-N -1 3 359.021 3.319 20 0 FGADHM CC(C)OC(=O)C[C@H](NC(=O)NCc1ccc([O-])c(F)c1)c1ccccc1 ZINC000155654365 496026326 /nfs/dbraw/zinc/02/63/26/496026326.db2.gz OFLXDOQOPDOZTP-KRWDZBQOSA-N -1 3 374.412 3.414 20 0 FGADHM O=C(Cc1csc(NC(=O)c2cccc([O-])c2)n1)NC[C@@H]1CC=CCC1 ZINC000177402151 496048220 /nfs/dbraw/zinc/04/82/20/496048220.db2.gz SZDYDPSPGSUFII-CYBMUJFWSA-N -1 3 371.462 3.116 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(NCc3ccc([C@@H](C)O)cc3)nc2)n1 ZINC000171830890 496055572 /nfs/dbraw/zinc/05/55/72/496055572.db2.gz FHEFWVRBOMRWBM-CYBMUJFWSA-N -1 3 350.422 3.060 20 0 FGADHM Cc1nc(CC[N-]S(=O)(=O)c2ccccc2C(F)(F)F)sc1C ZINC000152204605 496079573 /nfs/dbraw/zinc/07/95/73/496079573.db2.gz VEAGKVGEZVMVTL-UHFFFAOYSA-N -1 3 364.414 3.300 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-]Cc1ccc(Br)s1 ZINC000177507417 496091494 /nfs/dbraw/zinc/09/14/94/496091494.db2.gz ZQKQDFJNOHYAIJ-UHFFFAOYSA-N -1 3 368.299 3.059 20 0 FGADHM C[C@@H](OC[C@@H]1CCCCO1)C(=O)Nc1nnc(-c2cc3ccccc3o2)[n-]1 ZINC000580722172 505823210 /nfs/dbraw/zinc/82/32/10/505823210.db2.gz ASHPHEBGCULPAD-OCCSQVGLSA-N -1 3 370.409 3.131 20 0 FGADHM C[C@@H](OC[C@@H]1CCCCO1)C(=O)Nc1nc(-c2cc3ccccc3o2)n[n-]1 ZINC000580722172 505823214 /nfs/dbraw/zinc/82/32/14/505823214.db2.gz ASHPHEBGCULPAD-OCCSQVGLSA-N -1 3 370.409 3.131 20 0 FGADHM C[C@@H](OC[C@@H]1CCCCO1)C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000580722172 505823218 /nfs/dbraw/zinc/82/32/18/505823218.db2.gz ASHPHEBGCULPAD-OCCSQVGLSA-N -1 3 370.409 3.131 20 0 FGADHM C[C@H](CC(=O)c1cccs1)[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000152328748 496118779 /nfs/dbraw/zinc/11/87/79/496118779.db2.gz QQAFKRMLRBFYDX-SECBINFHSA-N -1 3 361.847 3.480 20 0 FGADHM O=S(=O)([N-]CC[C@H]1CCCCO1)c1cc(C(F)(F)F)ccc1F ZINC000180768619 496138212 /nfs/dbraw/zinc/13/82/12/496138212.db2.gz RYZYIIVDOYDXHF-LLVKDONJSA-N -1 3 355.353 3.082 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]CC[C@H]2CCCCO2)sc1Br ZINC000180772472 496141315 /nfs/dbraw/zinc/14/13/15/496141315.db2.gz UTQIYGGBRKMRHU-SNVBAGLBSA-N -1 3 368.318 3.057 20 0 FGADHM CCCCCNC(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000152413711 496143916 /nfs/dbraw/zinc/14/39/16/496143916.db2.gz YRYNQKHCLFOCLW-UHFFFAOYSA-N -1 3 359.467 3.214 20 0 FGADHM Cc1nc(C)c(CCC(=O)N[C@@H]2c3ccccc3CCC[C@@H]2C)c(=O)[n-]1 ZINC000183885401 496148328 /nfs/dbraw/zinc/14/83/28/496148328.db2.gz TYBBCNVOPBZBRE-RBZFPXEDSA-N -1 3 353.466 3.149 20 0 FGADHM CSc1nsc([N-]C(=O)c2cc(Br)cc3[nH]cnc32)n1 ZINC000571843909 505826142 /nfs/dbraw/zinc/82/61/42/505826142.db2.gz QSDVHOACIAQPTP-UHFFFAOYSA-N -1 3 370.257 3.151 20 0 FGADHM O=C([O-])c1ccccc1OCCN(Cc1ccccc1)C[C@H]1CCCO1 ZINC000183917478 496160591 /nfs/dbraw/zinc/16/05/91/496160591.db2.gz BPHJJWMPGFLYIX-GOSISDBHSA-N -1 3 355.434 3.445 20 0 FGADHM C[C@@]1(CNC(=O)NCc2ccc([O-])c(Br)c2)CCCS1 ZINC000152480709 496163324 /nfs/dbraw/zinc/16/33/24/496163324.db2.gz BTSAIEGZBFVFED-AWEZNQCLSA-N -1 3 359.289 3.240 20 0 FGADHM COc1ccc(CCCC(=O)Nc2nnc(-c3ccco3)[n-]2)c(OC)c1 ZINC000152485262 496164983 /nfs/dbraw/zinc/16/49/83/496164983.db2.gz PIIMULZBAPDBDP-UHFFFAOYSA-N -1 3 356.382 3.043 20 0 FGADHM COc1ccc(CCCC(=O)Nc2nc(-c3ccco3)n[n-]2)c(OC)c1 ZINC000152485262 496164989 /nfs/dbraw/zinc/16/49/89/496164989.db2.gz PIIMULZBAPDBDP-UHFFFAOYSA-N -1 3 356.382 3.043 20 0 FGADHM COc1ccc(CCCC(=O)Nc2n[n-]c(-c3ccco3)n2)c(OC)c1 ZINC000152485262 496164993 /nfs/dbraw/zinc/16/49/93/496164993.db2.gz PIIMULZBAPDBDP-UHFFFAOYSA-N -1 3 356.382 3.043 20 0 FGADHM CCOc1cc(C(=O)NCCCCn2ccnc2C)cc(Cl)c1[O-] ZINC000186832523 496171473 /nfs/dbraw/zinc/17/14/73/496171473.db2.gz VIULMWQXKXBGPK-UHFFFAOYSA-N -1 3 351.834 3.159 20 0 FGADHM COC[C@H]([N-]S(=O)(=O)c1ccc(-n2cccc2)cc1)c1ccc(C)o1 ZINC000183951751 496174588 /nfs/dbraw/zinc/17/45/88/496174588.db2.gz ZOTJJKDXGXDOMT-KRWDZBQOSA-N -1 3 360.435 3.045 20 0 FGADHM Cc1ccc(-c2cc(C(=O)Nc3cnc(-c4cccc(O)c4)nc3)n[n-]2)o1 ZINC000174954715 496181191 /nfs/dbraw/zinc/18/11/91/496181191.db2.gz ONODKZHIEUELPN-UHFFFAOYSA-N -1 3 361.361 3.393 20 0 FGADHM CCC[C@@H](NC(=O)[C@H](C)S(=O)(=O)c1cccc([O-])c1)c1ccccc1 ZINC000183986352 496188246 /nfs/dbraw/zinc/18/82/46/496188246.db2.gz INCTTZVJNUTJGZ-KBXCAEBGSA-N -1 3 361.463 3.212 20 0 FGADHM Cc1noc(C)c1[C@@H](C)CC(=O)Nc1cc(C)ccc1[N-]S(C)(=O)=O ZINC000156386176 496230855 /nfs/dbraw/zinc/23/08/55/496230855.db2.gz PMFMFLIFFOTJGJ-NSHDSACASA-N -1 3 365.455 3.104 20 0 FGADHM COC(=O)c1nccc2c1cccc2S(=O)(=O)[N-]c1cc(C)ccc1F ZINC000156398541 496234344 /nfs/dbraw/zinc/23/43/44/496234344.db2.gz XJMBFUKJHOPRFO-UHFFFAOYSA-N -1 3 374.393 3.270 20 0 FGADHM CC(C)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCN3C(N)=O)cc1 ZINC000156398906 496234798 /nfs/dbraw/zinc/23/47/98/496234798.db2.gz AZNLNGGLEJZGAN-UHFFFAOYSA-N -1 3 359.451 3.052 20 0 FGADHM Cc1cc(=O)[n-]c([C@H](C)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)n1 ZINC000177921051 496251303 /nfs/dbraw/zinc/25/13/03/496251303.db2.gz YXNJSSUQXJQCEC-ZDUSSCGKSA-N -1 3 358.417 3.041 20 0 FGADHM COCCC1(C[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000152795559 496259036 /nfs/dbraw/zinc/25/90/36/496259036.db2.gz ZCQPGQNSNDGTEV-UHFFFAOYSA-N -1 3 371.808 3.454 20 0 FGADHM COc1cccc(F)c1[N-]S(=O)(=O)c1ccc(OCC(F)F)cc1 ZINC000187053385 496271120 /nfs/dbraw/zinc/27/11/20/496271120.db2.gz GNJQQUQLHVWMHM-UHFFFAOYSA-N -1 3 361.341 3.279 20 0 FGADHM O=C(CCSc1ccccn1)NCc1ccc([O-])c(Br)c1 ZINC000156544624 496274456 /nfs/dbraw/zinc/27/44/56/496274456.db2.gz VPZLPLGSPFGJHH-UHFFFAOYSA-N -1 3 367.268 3.348 20 0 FGADHM Cc1ccc(-c2ncccc2NC(=O)CCc2c(C)nc(C)[n-]c2=O)s1 ZINC000187063354 496276289 /nfs/dbraw/zinc/27/62/89/496276289.db2.gz IUKMPDBCSYQDDA-UHFFFAOYSA-N -1 3 368.462 3.390 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)CN(C)C(=O)N3)cc(C)c1F ZINC000187064833 496277354 /nfs/dbraw/zinc/27/73/54/496277354.db2.gz BJDWXOQMTVQOMD-UHFFFAOYSA-N -1 3 363.414 3.221 20 0 FGADHM Cc1ccc(CN2CCOCC2)cc1NC(=O)Cc1ccc([O-])cc1Cl ZINC000152872719 496282025 /nfs/dbraw/zinc/28/20/25/496282025.db2.gz ITAZHERBRSOHJK-UHFFFAOYSA-N -1 3 374.868 3.367 20 0 FGADHM Cc1cc(Cl)cc(NC(=O)[C@@H]2CN(Cc3ccccc3)CCO2)c1[O-] ZINC000156577672 496282768 /nfs/dbraw/zinc/28/27/68/496282768.db2.gz FLGWWDHROIWZCQ-KRWDZBQOSA-N -1 3 360.841 3.194 20 0 FGADHM Cc1cccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)c[nH]c2=O)c1Cl ZINC000181138374 496283102 /nfs/dbraw/zinc/28/31/02/496283102.db2.gz XXKPECFFDGOXAO-UHFFFAOYSA-N -1 3 366.748 3.156 20 0 FGADHM C[C@]1(Cc2ccccc2)CCCN1C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000184207706 496285727 /nfs/dbraw/zinc/28/57/27/496285727.db2.gz TUOGHAFAMFFSCV-OAQYLSRUSA-N -1 3 363.417 3.199 20 0 FGADHM Cc1ccc(C(=O)Nc2cccc(-c3nnn[n-]3)c2)c(Br)c1 ZINC000162145506 496302451 /nfs/dbraw/zinc/30/24/51/496302451.db2.gz NPQWIUJEYLTJTR-UHFFFAOYSA-N -1 3 358.199 3.190 20 0 FGADHM Cc1ccc(C(=O)Nc2cccc(-c3nn[n-]n3)c2)c(Br)c1 ZINC000162145506 496302455 /nfs/dbraw/zinc/30/24/55/496302455.db2.gz NPQWIUJEYLTJTR-UHFFFAOYSA-N -1 3 358.199 3.190 20 0 FGADHM CC(C)c1cc(C(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)c([O-])c(C(C)C)c1 ZINC000181191741 496306216 /nfs/dbraw/zinc/30/62/16/496306216.db2.gz UXKJYKBGPUKCLB-AWEZNQCLSA-N -1 3 358.482 3.380 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)c1cccc(F)c1C(=O)OC)c1cccs1 ZINC000156667540 496306159 /nfs/dbraw/zinc/30/61/59/496306159.db2.gz IIMOQNLABUAMOR-NSHDSACASA-N -1 3 357.428 3.103 20 0 FGADHM O=C(Nc1ccc(-c2ncc3n2CCCC3)cc1)c1cccc2nn[n-]c21 ZINC000187165283 496321604 /nfs/dbraw/zinc/32/16/04/496321604.db2.gz HPCGCUFYCUODSP-UHFFFAOYSA-N -1 3 358.405 3.410 20 0 FGADHM O=C(Nc1ccc(-c2ncc3n2CCCC3)cc1)c1cccc2[n-]nnc21 ZINC000187165283 496321609 /nfs/dbraw/zinc/32/16/09/496321609.db2.gz HPCGCUFYCUODSP-UHFFFAOYSA-N -1 3 358.405 3.410 20 0 FGADHM O=C(Nc1ccc(-c2ncc3n2CCCC3)cc1)c1cccc2n[n-]nc21 ZINC000187165283 496321616 /nfs/dbraw/zinc/32/16/16/496321616.db2.gz HPCGCUFYCUODSP-UHFFFAOYSA-N -1 3 358.405 3.410 20 0 FGADHM COCc1cc(C[N-]S(=O)(=O)c2ccccc2SC)ccc1F ZINC000187170814 496323963 /nfs/dbraw/zinc/32/39/63/496323963.db2.gz YLLDYJYBQZLXFF-UHFFFAOYSA-N -1 3 355.456 3.173 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2cccc([C@H]3CCC(=O)N3)c2)c(C)c1C ZINC000571889716 505839703 /nfs/dbraw/zinc/83/97/03/505839703.db2.gz ULKYPXWQLVVZSC-MRXNPFEDSA-N -1 3 374.462 3.064 20 0 FGADHM C[C@@H](C(=O)[O-])N(Cc1nc2cc(Br)ccc2[nH]1)C1CCC1 ZINC000580785978 505837984 /nfs/dbraw/zinc/83/79/84/505837984.db2.gz UUVMRCIQRQHXCV-VIFPVBQESA-N -1 3 352.232 3.153 20 0 FGADHM C[C@@H](C(=O)[O-])N(Cc1nc2ccc(Br)cc2[nH]1)C1CCC1 ZINC000580785978 505837987 /nfs/dbraw/zinc/83/79/87/505837987.db2.gz UUVMRCIQRQHXCV-VIFPVBQESA-N -1 3 352.232 3.153 20 0 FGADHM CCc1ccccc1S(=O)(=O)[N-]c1cc(C(=O)OC)c(F)cc1F ZINC000187234007 496352582 /nfs/dbraw/zinc/35/25/82/496352582.db2.gz WNQCWGULXBBTHD-UHFFFAOYSA-N -1 3 355.362 3.115 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)COC/C=C/c3ccccc3)[n-]c21 ZINC000162450121 496354431 /nfs/dbraw/zinc/35/44/31/496354431.db2.gz LCLHRSHBKAWOFO-RMKNXTFCSA-N -1 3 365.389 3.018 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)COC/C=C/c3ccccc3)nc21 ZINC000162450121 496354436 /nfs/dbraw/zinc/35/44/36/496354436.db2.gz LCLHRSHBKAWOFO-RMKNXTFCSA-N -1 3 365.389 3.018 20 0 FGADHM Cc1cc(NC(=O)c2ccc3n[n-]nc3c2)nn1-c1ccccc1Cl ZINC000181335246 496358371 /nfs/dbraw/zinc/35/83/71/496358371.db2.gz YTIIPBYFQPUWSJ-UHFFFAOYSA-N -1 3 352.785 3.358 20 0 FGADHM Cc1cc(C(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)co1 ZINC000187249879 496360848 /nfs/dbraw/zinc/36/08/48/496360848.db2.gz SJHJYRDTJGIMDZ-UHFFFAOYSA-N -1 3 354.403 3.056 20 0 FGADHM O=C(NCCCCOCCc1ccccc1)NCc1ccc([O-])c(F)c1 ZINC000157030761 496389986 /nfs/dbraw/zinc/38/99/86/496389986.db2.gz JWGGRLYVQUZPLJ-UHFFFAOYSA-N -1 3 360.429 3.370 20 0 FGADHM CN(Cc1ccc(O)cc1)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000178267835 496393335 /nfs/dbraw/zinc/39/33/35/496393335.db2.gz ROLHVDYSKAITKC-UHFFFAOYSA-N -1 3 365.227 3.202 20 0 FGADHM CC(C)(C)[C@@H]([N-]S(C)(=O)=O)C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000153366801 496433765 /nfs/dbraw/zinc/43/37/65/496433765.db2.gz LAQXGPHSYGYXHJ-SFHVURJKSA-N -1 3 372.490 3.160 20 0 FGADHM CSCc1noc(CCC(=O)Nc2cc(C(F)(F)F)ccc2[O-])n1 ZINC000153378967 496436803 /nfs/dbraw/zinc/43/68/03/496436803.db2.gz QPFQIMWDOPJHLO-UHFFFAOYSA-N -1 3 361.345 3.228 20 0 FGADHM Cc1nc(S(=O)(=O)Cc2ccc(C)nc2C)[n-]c1Cc1ccccc1 ZINC000187428967 496437585 /nfs/dbraw/zinc/43/75/85/496437585.db2.gz HLJYYRLJWFKMAV-UHFFFAOYSA-N -1 3 355.463 3.295 20 0 FGADHM Cc1[n-]c(S(=O)(=O)Cc2ccc(C)nc2C)nc1Cc1ccccc1 ZINC000187428967 496437588 /nfs/dbraw/zinc/43/75/88/496437588.db2.gz HLJYYRLJWFKMAV-UHFFFAOYSA-N -1 3 355.463 3.295 20 0 FGADHM CCOC(=O)c1nc([N-]C(=O)c2ncoc2-c2ccc(C)cc2)oc1C ZINC000187444619 496443455 /nfs/dbraw/zinc/44/34/55/496443455.db2.gz UVQNZIDREWCGMN-UHFFFAOYSA-N -1 3 355.350 3.375 20 0 FGADHM COC(=O)c1cnc([N-]C(=O)c2ccc(Br)o2)c(Cl)c1 ZINC000574739064 505844957 /nfs/dbraw/zinc/84/49/57/505844957.db2.gz UQUVVFDPDHSQLM-UHFFFAOYSA-N -1 3 359.563 3.129 20 0 FGADHM Cc1cc([N-]C(=O)[C@@H](C)N2CCc3ccc(Br)cc32)on1 ZINC000163043713 496456069 /nfs/dbraw/zinc/45/60/69/496456069.db2.gz YCRXLICFYZBHPL-SNVBAGLBSA-N -1 3 350.216 3.135 20 0 FGADHM C/C=C(\C=C\C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1)CC ZINC000157453896 496479970 /nfs/dbraw/zinc/47/99/70/496479970.db2.gz RDEXYUKXKKICTR-YWVWZFIBSA-N -1 3 352.456 3.308 20 0 FGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@@H]1CCC[C@@H]1c1ccccc1 ZINC000157489291 496486995 /nfs/dbraw/zinc/48/69/95/496486995.db2.gz FDZHVZODONOMKN-ZIAGYGMSSA-N -1 3 365.476 3.149 20 0 FGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C[C@@H]2CCC[C@@H]2C)cc1OC ZINC000184671516 496487418 /nfs/dbraw/zinc/48/74/18/496487418.db2.gz QQPJKBJMQMHQNY-STQMWFEESA-N -1 3 354.472 3.222 20 0 FGADHM COc1cc(CCNC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)ccc1C ZINC000153561045 496498225 /nfs/dbraw/zinc/49/82/25/496498225.db2.gz YEZQEIQUYXFTHQ-UHFFFAOYSA-N -1 3 368.408 3.265 20 0 FGADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]c2c(F)cccc2F)c(F)c1 ZINC000157546088 496500035 /nfs/dbraw/zinc/50/00/35/496500035.db2.gz QUJRUXSZUQNMNH-UHFFFAOYSA-N -1 3 362.304 3.002 20 0 FGADHM CCOCCOc1c(Cl)cccc1NC(=O)c1cccc2nn[n-]c21 ZINC000187593417 496503152 /nfs/dbraw/zinc/50/31/52/496503152.db2.gz ZVANAVYRXZTOLX-UHFFFAOYSA-N -1 3 360.801 3.279 20 0 FGADHM CCOCCOc1c(Cl)cccc1NC(=O)c1cccc2[n-]nnc21 ZINC000187593417 496503156 /nfs/dbraw/zinc/50/31/56/496503156.db2.gz ZVANAVYRXZTOLX-UHFFFAOYSA-N -1 3 360.801 3.279 20 0 FGADHM CCOCCOc1c(Cl)cccc1NC(=O)c1cccc2n[n-]nc21 ZINC000187593417 496503159 /nfs/dbraw/zinc/50/31/59/496503159.db2.gz ZVANAVYRXZTOLX-UHFFFAOYSA-N -1 3 360.801 3.279 20 0 FGADHM O=C(N[C@H]1CC[C@@H](c2ccc(Cl)cc2)C1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000578041873 505848561 /nfs/dbraw/zinc/84/85/61/505848561.db2.gz JHSYEPYKOXLVQJ-DOMZBBRYSA-N -1 3 368.820 3.290 20 0 FGADHM O=c1[n-]c(CN2CCC(C3CCOCC3)CC2)nc2c3ccccc3oc21 ZINC000153593869 496511534 /nfs/dbraw/zinc/51/15/34/496511534.db2.gz YXUIAUBHVYPKRH-UHFFFAOYSA-N -1 3 367.449 3.308 20 0 FGADHM O=C(CNC(=O)c1cc(-c2ccccc2)on1)Nc1ccc(Cl)cc1[O-] ZINC000153599948 496513845 /nfs/dbraw/zinc/51/38/45/496513845.db2.gz DVMKZKJSGDRQIZ-UHFFFAOYSA-N -1 3 371.780 3.069 20 0 FGADHM C[C@@H](C(=O)Nc1nnc(C(F)(F)F)[n-]1)c1ccc(Br)cc1 ZINC000163484994 496521483 /nfs/dbraw/zinc/52/14/83/496521483.db2.gz HREJKKKXDORSKF-ZCFIWIBFSA-N -1 3 363.137 3.328 20 0 FGADHM C[C@@H](C(=O)Nc1nc(C(F)(F)F)n[n-]1)c1ccc(Br)cc1 ZINC000163484994 496521486 /nfs/dbraw/zinc/52/14/86/496521486.db2.gz HREJKKKXDORSKF-ZCFIWIBFSA-N -1 3 363.137 3.328 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)c1ccc(OC)c(F)c1C)c1c(C)noc1C ZINC000181738436 496524776 /nfs/dbraw/zinc/52/47/76/496524776.db2.gz YNZNBWZDFVVSLS-LBPRGKRZSA-N -1 3 356.419 3.177 20 0 FGADHM CCOc1ccc([C@H](C)NC(=O)c2cccc3nn[n-]c32)cc1OCC ZINC000163514277 496527016 /nfs/dbraw/zinc/52/70/16/496527016.db2.gz QNKKDTZEMRFMHP-LBPRGKRZSA-N -1 3 354.410 3.246 20 0 FGADHM CCOc1ccc([C@H](C)NC(=O)c2cccc3[n-]nnc32)cc1OCC ZINC000163514277 496527021 /nfs/dbraw/zinc/52/70/21/496527021.db2.gz QNKKDTZEMRFMHP-LBPRGKRZSA-N -1 3 354.410 3.246 20 0 FGADHM CCOc1ccc([C@H](C)NC(=O)c2cccc3n[n-]nc32)cc1OCC ZINC000163514277 496527026 /nfs/dbraw/zinc/52/70/26/496527026.db2.gz QNKKDTZEMRFMHP-LBPRGKRZSA-N -1 3 354.410 3.246 20 0 FGADHM CCOC(=O)c1cc(NC(=O)[C@H]2C[C@@H]2c2cccc(C(F)(F)F)c2)n[n-]1 ZINC000181756406 496530290 /nfs/dbraw/zinc/53/02/90/496530290.db2.gz OZNABAAOEQNZOO-NEPJUHHUSA-N -1 3 367.327 3.347 20 0 FGADHM CCOC(=O)c1cc(NC(=O)[C@H]2C[C@@H]2c2cccc(C(F)(F)F)c2)[n-]n1 ZINC000181756406 496530298 /nfs/dbraw/zinc/53/02/98/496530298.db2.gz OZNABAAOEQNZOO-NEPJUHHUSA-N -1 3 367.327 3.347 20 0 FGADHM O=C(Cc1ccccc1)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000175766995 496535651 /nfs/dbraw/zinc/53/56/51/496535651.db2.gz IKIPGKNNWFVWSA-UHFFFAOYSA-N -1 3 372.852 3.465 20 0 FGADHM CC[C@@H]([N-]S(=O)(=O)c1cc(C)c(Br)s1)[C@@H]1CCCO1 ZINC000157710993 496535680 /nfs/dbraw/zinc/53/56/80/496535680.db2.gz KYMGAIMTSQGYQA-ZJUUUORDSA-N -1 3 368.318 3.055 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)N1CCC([C@H](O)c2ccccc2)CC1 ZINC000163672787 496544191 /nfs/dbraw/zinc/54/41/91/496544191.db2.gz WDVKNDCDFBIRMW-LJQANCHMSA-N -1 3 358.413 3.187 20 0 FGADHM Cc1c(NC(=O)c2cccc3nn[n-]c32)cccc1OCC(F)(F)F ZINC000187729243 496549634 /nfs/dbraw/zinc/54/96/34/496549634.db2.gz YYMLYPJLMSLMHR-UHFFFAOYSA-N -1 3 350.300 3.460 20 0 FGADHM Cc1c(NC(=O)c2cccc3[n-]nnc32)cccc1OCC(F)(F)F ZINC000187729243 496549639 /nfs/dbraw/zinc/54/96/39/496549639.db2.gz YYMLYPJLMSLMHR-UHFFFAOYSA-N -1 3 350.300 3.460 20 0 FGADHM Cc1c(NC(=O)c2cccc3n[n-]nc32)cccc1OCC(F)(F)F ZINC000187729243 496549645 /nfs/dbraw/zinc/54/96/45/496549645.db2.gz YYMLYPJLMSLMHR-UHFFFAOYSA-N -1 3 350.300 3.460 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]Cc2nc(C(F)(F)F)cs2)c(F)cc1F ZINC000175800816 496550658 /nfs/dbraw/zinc/55/06/58/496550658.db2.gz UENARUJOYJJDQR-UHFFFAOYSA-N -1 3 372.340 3.227 20 0 FGADHM COc1ccc2nc([N-]C(=O)c3cc(S(C)(=O)=O)cs3)sc2c1 ZINC000157781883 496554069 /nfs/dbraw/zinc/55/40/69/496554069.db2.gz DBDFEKIJDCMUGM-UHFFFAOYSA-N -1 3 368.461 3.022 20 0 FGADHM CC(C)[C@@](C)(O)C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000178744968 496558009 /nfs/dbraw/zinc/55/80/09/496558009.db2.gz BUFKDAJAYYWIQI-LBPRGKRZSA-N -1 3 359.797 3.044 20 0 FGADHM COc1ccc([O-])c(-c2nc(-c3ccc(-n4nc(C)cc4C)nc3)no2)c1 ZINC000184855589 496559717 /nfs/dbraw/zinc/55/97/17/496559717.db2.gz DWICXXOSFSUIJU-UHFFFAOYSA-N -1 3 363.377 3.315 20 0 FGADHM CC[C@@H]([N-]S(=O)(=O)Cc1c(Cl)cccc1Cl)[C@@H]1CCCO1 ZINC000157813240 496561065 /nfs/dbraw/zinc/56/10/65/496561065.db2.gz UQZYIJYLMOATOE-KGLIPLIRSA-N -1 3 352.283 3.370 20 0 FGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]C[C@@H](O)CC(C)(C)C)s2)cs1 ZINC000178774893 496566974 /nfs/dbraw/zinc/56/69/74/496566974.db2.gz WMAVNROAFRGAIR-NSHDSACASA-N -1 3 374.553 3.255 20 0 FGADHM O=S(=O)([N-]c1ccccc1F)c1ccc(OC[C@@H]2CCOC2)c(F)c1 ZINC000184876613 496568616 /nfs/dbraw/zinc/56/86/16/496568616.db2.gz UEBNPSPXBRRXQN-GFCCVEGCSA-N -1 3 369.389 3.181 20 0 FGADHM CCCCn1cc(C(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)c(C)n1 ZINC000184877755 496568659 /nfs/dbraw/zinc/56/86/59/496568659.db2.gz TVWOEOIFAOCPQS-UHFFFAOYSA-N -1 3 365.437 3.303 20 0 FGADHM CS(=O)(=O)[N-]c1cc(NC(=O)C/C=C/c2cccc(F)c2)ccc1F ZINC000175870377 496581438 /nfs/dbraw/zinc/58/14/38/496581438.db2.gz INOAFDWMNLJPDD-HWKANZROSA-N -1 3 366.389 3.378 20 0 FGADHM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3)ccc1OC(C)C ZINC000157906977 496581740 /nfs/dbraw/zinc/58/17/40/496581740.db2.gz JODYORRKCIKGOM-UHFFFAOYSA-N -1 3 360.435 3.078 20 0 FGADHM O=C(Cc1ccc([O-])cc1Cl)Nc1ccc(CN2CCOCC2)cc1 ZINC000181876368 496582493 /nfs/dbraw/zinc/58/24/93/496582493.db2.gz XSJIRSKALWFCRM-UHFFFAOYSA-N -1 3 360.841 3.059 20 0 FGADHM COc1ccccc1[C@@H](NC(=O)c1cccc2nn[n-]c21)c1ccccc1 ZINC000187822136 496583971 /nfs/dbraw/zinc/58/39/71/496583971.db2.gz RRJBNMHZFQABTP-IBGZPJMESA-N -1 3 358.401 3.486 20 0 FGADHM COc1ccccc1[C@@H](NC(=O)c1cccc2[n-]nnc21)c1ccccc1 ZINC000187822136 496583975 /nfs/dbraw/zinc/58/39/75/496583975.db2.gz RRJBNMHZFQABTP-IBGZPJMESA-N -1 3 358.401 3.486 20 0 FGADHM COc1ccccc1[C@@H](NC(=O)c1cccc2n[n-]nc21)c1ccccc1 ZINC000187822136 496583980 /nfs/dbraw/zinc/58/39/80/496583980.db2.gz RRJBNMHZFQABTP-IBGZPJMESA-N -1 3 358.401 3.486 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)NCc1ccc(Br)c(F)c1 ZINC000158064062 496618507 /nfs/dbraw/zinc/61/85/07/496618507.db2.gz LACVSEYHIVMLGZ-UHFFFAOYSA-N -1 3 371.181 3.432 20 0 FGADHM C[C@@H](NC(=O)[C@@H](C)N1CCC[C@H](C(=O)[O-])C1)c1cccc2ccccc21 ZINC000164625783 496622814 /nfs/dbraw/zinc/62/28/14/496622814.db2.gz DYLIWAWQYSUFGW-INMHGKMJSA-N -1 3 354.450 3.202 20 0 FGADHM C[C@]1(c2cccc(NC(=O)C[C@@H]3CCCCC3(C)C)c2)NC(=O)[N-]C1=O ZINC000158089949 496625327 /nfs/dbraw/zinc/62/53/27/496625327.db2.gz WTSNLSDIRUFSON-RNODOKPDSA-N -1 3 357.454 3.286 20 0 FGADHM Cc1c(Br)scc1C(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000185023843 496626680 /nfs/dbraw/zinc/62/66/80/496626680.db2.gz YQAJGVKTTOCZRO-UHFFFAOYSA-N -1 3 353.201 3.449 20 0 FGADHM Cc1c(Br)scc1C(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000185023843 496626685 /nfs/dbraw/zinc/62/66/85/496626685.db2.gz YQAJGVKTTOCZRO-UHFFFAOYSA-N -1 3 353.201 3.449 20 0 FGADHM Cc1c(Br)scc1C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000185023843 496626690 /nfs/dbraw/zinc/62/66/90/496626690.db2.gz YQAJGVKTTOCZRO-UHFFFAOYSA-N -1 3 353.201 3.449 20 0 FGADHM Cc1cccc2c(=O)c(C(=O)N[C@H]3CCO[C@]4(CCSC4)C3)c[n-]c12 ZINC000165115143 496648110 /nfs/dbraw/zinc/64/81/10/496648110.db2.gz MNHZUSQTSZUIQE-ORAYPTAESA-N -1 3 358.463 3.033 20 0 FGADHM O=C(CCSc1ccccc1Br)[N-]OC[C@@H]1CCOC1 ZINC000188020688 496654730 /nfs/dbraw/zinc/65/47/30/496654730.db2.gz ALZVQUIWOMUFDP-LLVKDONJSA-N -1 3 360.273 3.016 20 0 FGADHM O=S(=O)([N-]c1ccc(O[C@@H]2CCOC2)cc1)c1ccc(Cl)cc1 ZINC000158257444 496662122 /nfs/dbraw/zinc/66/21/22/496662122.db2.gz ZJULTSDKGMXFOB-OAHLLOKOSA-N -1 3 353.827 3.309 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]c2cc(C(N)=O)c(Cl)cc2Cl)c(C)o1 ZINC000569124893 505858295 /nfs/dbraw/zinc/85/82/95/505858295.db2.gz GVCQXVFRIJHKEX-UHFFFAOYSA-N -1 3 363.222 3.103 20 0 FGADHM O=C(N1CCc2nc[n-]c(=O)c2C1)C1(Cc2cccc(Cl)c2)CCCC1 ZINC000179092233 496671848 /nfs/dbraw/zinc/67/18/48/496671848.db2.gz DLTBBLSJIYINPP-UHFFFAOYSA-N -1 3 371.868 3.111 20 0 FGADHM O=C(Nc1cccc([O-])c1F)c1cn(-c2ccccc2C(F)(F)F)nn1 ZINC000179149884 496692991 /nfs/dbraw/zinc/69/29/91/496692991.db2.gz QPLFQWCNNHTESY-UHFFFAOYSA-N -1 3 366.274 3.383 20 0 FGADHM Cc1nc(C)c(S(=O)(=O)[N-][C@@H](C)Cc2nc3ccccc3s2)s1 ZINC000179263179 496722975 /nfs/dbraw/zinc/72/29/75/496722975.db2.gz TXRCORHVRBQWSO-VIFPVBQESA-N -1 3 367.521 3.279 20 0 FGADHM O=C(c1ccc(OCC2CCCCC2)cc1)N1CCc2c(=O)[n-]cnc2C1 ZINC000273190646 496735659 /nfs/dbraw/zinc/73/56/59/496735659.db2.gz GSHIGOKCXDPSCL-UHFFFAOYSA-N -1 3 367.449 3.340 20 0 FGADHM CCNC(=O)c1ccc(C)c(NC(=O)c2cn[n-]c2-c2ccsc2)c1 ZINC000188309775 496749058 /nfs/dbraw/zinc/74/90/58/496749058.db2.gz TXEJWWOKAXTHGH-UHFFFAOYSA-N -1 3 354.435 3.449 20 0 FGADHM CCNC(=O)c1ccc(C)c(NC(=O)c2c[n-]nc2-c2ccsc2)c1 ZINC000188309775 496749062 /nfs/dbraw/zinc/74/90/62/496749062.db2.gz TXEJWWOKAXTHGH-UHFFFAOYSA-N -1 3 354.435 3.449 20 0 FGADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CCCN(Cc2cscn2)CC1 ZINC000263877490 496752182 /nfs/dbraw/zinc/75/21/82/496752182.db2.gz QKULPQSZZDADDZ-UHFFFAOYSA-N -1 3 371.506 3.076 20 0 FGADHM CC(C)(C)OC(=O)C1CCN(Cc2cc(=O)oc3cc([O-])ccc23)CC1 ZINC000263891859 496756259 /nfs/dbraw/zinc/75/62/59/496756259.db2.gz UBZFQCCURIUUDH-UHFFFAOYSA-N -1 3 359.422 3.052 20 0 FGADHM Cc1cc(Br)ccc1CN[C@H](CC(=O)OC(C)(C)C)C(=O)[O-] ZINC000277466435 496781896 /nfs/dbraw/zinc/78/18/96/496781896.db2.gz VUQZTBSOLGXRAA-CYBMUJFWSA-N -1 3 372.259 3.032 20 0 FGADHM CCN(CC(F)F)C(=O)/C=C/c1cc(Br)c([O-])c(OC)c1 ZINC000273403734 496795743 /nfs/dbraw/zinc/79/57/43/496795743.db2.gz NXOYMENTZLXOOR-SNAWJCMRSA-N -1 3 364.186 3.290 20 0 FGADHM Cc1cc(CN2CCC([N-]S(=O)(=O)c3cccs3)CC2)c(C)s1 ZINC000195024857 496796104 /nfs/dbraw/zinc/79/61/04/496796104.db2.gz UTONIRMTFZMVPJ-UHFFFAOYSA-N -1 3 370.565 3.369 20 0 FGADHM COc1cc(C)c([N-]S(=O)(=O)c2ccc(C)c(NC(C)=O)c2)cc1C ZINC000277517826 496800424 /nfs/dbraw/zinc/80/04/24/496800424.db2.gz FEHQTNJLNTZQHK-UHFFFAOYSA-N -1 3 362.451 3.380 20 0 FGADHM CCOC(=O)c1oc2ccc(S(=O)(=O)[N-]c3ccnc(C)c3)cc2c1C ZINC000191542539 496805002 /nfs/dbraw/zinc/80/50/02/496805002.db2.gz ZRDKMTVRKFNQDJ-UHFFFAOYSA-N -1 3 374.418 3.422 20 0 FGADHM C[C@@H](CON=C([O-])Nc1cc(F)c(F)cc1F)NC(=O)OC(C)(C)C ZINC000273441595 496807486 /nfs/dbraw/zinc/80/74/86/496807486.db2.gz YPRGHTUTTFLUNF-QMMMGPOBSA-N -1 3 363.336 3.070 20 0 FGADHM C[C@@H](CO[N-]C(=O)Nc1cc(F)c(F)cc1F)NC(=O)OC(C)(C)C ZINC000273441595 496807487 /nfs/dbraw/zinc/80/74/87/496807487.db2.gz YPRGHTUTTFLUNF-QMMMGPOBSA-N -1 3 363.336 3.070 20 0 FGADHM CC(C)C[C@@H](CCO)CNC(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000188508389 496814425 /nfs/dbraw/zinc/81/44/25/496814425.db2.gz NQRLDQKWABTZFJ-MRXNPFEDSA-N -1 3 369.461 3.398 20 0 FGADHM COC(=O)c1cc(C(=O)Nc2ccc(Oc3ccc(OC)cc3)nc2)c[n-]1 ZINC000578123160 505867755 /nfs/dbraw/zinc/86/77/55/505867755.db2.gz RWMOIBXLVOAZLM-UHFFFAOYSA-N -1 3 367.361 3.250 20 0 FGADHM CN(C)c1ccc(NC([O-])=NOCc2ccc(C(F)(F)F)cc2)cn1 ZINC000273527517 496831418 /nfs/dbraw/zinc/83/14/18/496831418.db2.gz YHVCGYKDOFCEGK-UHFFFAOYSA-N -1 3 354.332 3.420 20 0 FGADHM CN(C)c1ccc(NC(=O)[N-]OCc2ccc(C(F)(F)F)cc2)cn1 ZINC000273527517 496831420 /nfs/dbraw/zinc/83/14/20/496831420.db2.gz YHVCGYKDOFCEGK-UHFFFAOYSA-N -1 3 354.332 3.420 20 0 FGADHM O=C(NCc1ccn2ccnc2c1)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000188579856 496839970 /nfs/dbraw/zinc/83/99/70/496839970.db2.gz JNWRQMNIVGHWIZ-UHFFFAOYSA-N -1 3 371.396 3.201 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]c2ccc(OC3COC3)cc2)cc(C)c1F ZINC000188592858 496843672 /nfs/dbraw/zinc/84/36/72/496843672.db2.gz DGDXTHQCNPEAID-UHFFFAOYSA-N -1 3 351.399 3.021 20 0 FGADHM Cc1nnc([C@H](C)[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)s1 ZINC000273608556 496852717 /nfs/dbraw/zinc/85/27/17/496852717.db2.gz NRRXUYHJMZEHGX-LURJTMIESA-N -1 3 352.268 3.193 20 0 FGADHM CC(C)COc1ncccc1C(=O)[N-]c1nnc(CC(F)(F)F)s1 ZINC000269030972 496853002 /nfs/dbraw/zinc/85/30/02/496853002.db2.gz WQYHVBMWOTXZDE-UHFFFAOYSA-N -1 3 360.361 3.325 20 0 FGADHM O=C(Nc1cn(Cc2ccccc2)nn1)c1c[n-]nc1-c1ccc(F)cc1 ZINC000188692478 496877961 /nfs/dbraw/zinc/87/79/61/496877961.db2.gz NYPVGLNXTIGKLJ-UHFFFAOYSA-N -1 3 362.368 3.108 20 0 FGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)[C@@H]1C[C@@H]1c1ccccc1Cl ZINC000247518539 496879087 /nfs/dbraw/zinc/87/90/87/496879087.db2.gz KQLJBHPFMNXMCM-CHWSQXEVSA-N -1 3 364.854 3.454 20 0 FGADHM Cc1c([O-])ccc2c(CN3CC[C@H](C)[C@@H](n4ccnc4)C3)cc(=O)oc12 ZINC000247628881 496896434 /nfs/dbraw/zinc/89/64/34/496896434.db2.gz NRFNBDWMIWLSDO-GUYCJALGSA-N -1 3 353.422 3.087 20 0 FGADHM CCCCS(=O)(=O)Cc1noc(-c2cc3c(cc2[O-])CCCC3)n1 ZINC000277814543 496897760 /nfs/dbraw/zinc/89/77/60/496897760.db2.gz AQDZFHJKBYMCCT-UHFFFAOYSA-N -1 3 350.440 3.036 20 0 FGADHM Cc1ncsc1/C=C/C(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000188759898 496899404 /nfs/dbraw/zinc/89/94/04/496899404.db2.gz NIZAXWOODJWYNC-VOTSOKGWSA-N -1 3 371.462 3.048 20 0 FGADHM COc1cccc(C(=O)Nc2cc(C(=O)NCC3CC3)ccc2C)c1[O-] ZINC000188806154 496913598 /nfs/dbraw/zinc/91/35/98/496913598.db2.gz XMZGPTWMFOOROZ-UHFFFAOYSA-N -1 3 354.406 3.101 20 0 FGADHM CCN(C(=O)c1cccc([C@]2(C)NC(=O)[N-]C2=O)c1)c1cccc(C)c1C ZINC000269319313 496918239 /nfs/dbraw/zinc/91/82/39/496918239.db2.gz LEERFJNYAWYAAQ-NRFANRHFSA-N -1 3 365.433 3.025 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]CCCc2nc(C(C)C)no2)sc1Cl ZINC000191913708 496930313 /nfs/dbraw/zinc/93/03/13/496930313.db2.gz DTQGJYCSIIZKTA-UHFFFAOYSA-N -1 3 363.892 3.127 20 0 FGADHM CC(C)c1ccc(C(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)cn1 ZINC000269417985 496943063 /nfs/dbraw/zinc/94/30/63/496943063.db2.gz COXYVJVWVAHWKC-UHFFFAOYSA-N -1 3 367.449 3.402 20 0 FGADHM C[C@H]([N-]C(=O)C(F)(F)C(F)F)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000269518045 496963229 /nfs/dbraw/zinc/96/32/29/496963229.db2.gz KXOBZWZIGKVZGH-SMDDNHRTSA-N -1 3 363.351 3.328 20 0 FGADHM Cc1c2ccccc2oc1[C@@H](NC(=O)C(=O)[N-]c1cnns1)C(C)C ZINC000192016928 496964897 /nfs/dbraw/zinc/96/48/97/496964897.db2.gz OTDKTIXOWYBBNQ-AWEZNQCLSA-N -1 3 358.423 3.045 20 0 FGADHM Cc1csc([C@@H]([N-]S(=O)(=O)Cc2ccc(C)cc2F)C2CC2)n1 ZINC000192023104 496966639 /nfs/dbraw/zinc/96/66/39/496966639.db2.gz JVXXWOSEMSPPJY-HNNXBMFYSA-N -1 3 354.472 3.470 20 0 FGADHM C[C@H](NC(=O)C(=O)[N-]c1cnns1)c1ccc(Cl)c2ccccc21 ZINC000192072999 496985735 /nfs/dbraw/zinc/98/57/35/496985735.db2.gz PFOYKXXRGQKWSQ-VIFPVBQESA-N -1 3 360.826 3.161 20 0 FGADHM COc1cccc([C@H]2CCCN2C(=O)c2cc(OC)c([O-])c(OC)c2)c1 ZINC000269897477 497020332 /nfs/dbraw/zinc/02/03/32/497020332.db2.gz CVVMGISKYQPZHB-MRXNPFEDSA-N -1 3 357.406 3.395 20 0 FGADHM CCOCCCC[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000192188576 497027530 /nfs/dbraw/zinc/02/75/30/497027530.db2.gz JQWBUVWJHZLKGI-UHFFFAOYSA-N -1 3 370.696 3.198 20 0 FGADHM COc1cc2c(cc1CN[C@@H](Cc1ccc(C)c(C)c1)C(=O)[O-])O[C@@H](C)C2 ZINC000569215088 505880412 /nfs/dbraw/zinc/88/04/12/505880412.db2.gz BGQBPAKKANLWCA-KXBFYZLASA-N -1 3 369.461 3.421 20 0 FGADHM O=C(c1n[n-]nc1-c1ccccc1)N1CCc2cc(Br)ccc21 ZINC000189328327 497083480 /nfs/dbraw/zinc/08/34/80/497083480.db2.gz XIOGVQHQZSAHGQ-UHFFFAOYSA-N -1 3 369.222 3.437 20 0 FGADHM CCCOc1ccc(S(=O)(=O)[N-]c2cccc(C[S@](C)=O)c2)cc1 ZINC000265267018 497085908 /nfs/dbraw/zinc/08/59/08/497085908.db2.gz MJPVJXXQWFVGHL-QHCPKHFHSA-N -1 3 367.492 3.155 20 0 FGADHM Cc1cc(F)c(S(=O)(=O)[N-][C@@H](C)c2ccc([S@@](C)=O)cc2)cc1F ZINC000270260591 497088738 /nfs/dbraw/zinc/08/87/38/497088738.db2.gz ZMGHNCOBSMCUAB-BSNNYGBQSA-N -1 3 373.446 3.050 20 0 FGADHM O=S(=O)([N-]CCc1ccsc1)c1ccc(Br)c(F)c1 ZINC000230594994 497105560 /nfs/dbraw/zinc/10/55/60/497105560.db2.gz AMWJFCORQXNYRP-UHFFFAOYSA-N -1 3 364.261 3.171 20 0 FGADHM CCOC[C@@H]([N-]S(=O)(=O)c1cc(C)c(Br)s1)C(C)C ZINC000233742764 497112221 /nfs/dbraw/zinc/11/22/21/497112221.db2.gz VFYFEVRBVWYSMY-SNVBAGLBSA-N -1 3 370.334 3.158 20 0 FGADHM CCCCS(=O)(=O)c1ccc(C(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000192435526 497113521 /nfs/dbraw/zinc/11/35/21/497113521.db2.gz DBEAPMMSXVTVAB-UHFFFAOYSA-N -1 3 365.426 3.035 20 0 FGADHM O=S(=O)([N-][C@H]1CCCSC1)c1ccc(Cl)c(Br)c1 ZINC000236056313 497116145 /nfs/dbraw/zinc/11/61/45/497116145.db2.gz SCUUUMXCGPLLCZ-QMMMGPOBSA-N -1 3 370.721 3.276 20 0 FGADHM Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)CNC(=O)c2cccc([O-])c2)o1 ZINC000274543749 497122006 /nfs/dbraw/zinc/12/20/06/497122006.db2.gz VAHVBLLBCPVQJK-SUMWQHHRSA-N -1 3 356.422 3.023 20 0 FGADHM O=C([N-]OC[C@@H]1CCOC1)Nc1cccc(OCc2ccc(F)cc2)c1 ZINC000189480406 497131633 /nfs/dbraw/zinc/13/16/33/497131633.db2.gz WRJDOOLFSQYDPE-OAHLLOKOSA-N -1 3 360.385 3.494 20 0 FGADHM [O-]c1coc2cc(OC[C@@H](O)COc3ccccc3C(F)(F)F)ccc12 ZINC000574939456 505886886 /nfs/dbraw/zinc/88/68/86/505886886.db2.gz QPTIBDCEPFWFAW-LLVKDONJSA-N -1 3 368.307 3.099 20 0 FGADHM CC(C)c1nccn1Cc1cccc(NC(=O)[N-]OC[C@H]2CCOC2)c1 ZINC000189501495 497140429 /nfs/dbraw/zinc/14/04/29/497140429.db2.gz JLJRWXSNATWZRK-INIZCTEOSA-N -1 3 358.442 3.144 20 0 FGADHM CC[C@@H]1[C@@H](C)CCN1C(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000274791826 497166529 /nfs/dbraw/zinc/16/65/29/497166529.db2.gz MNZHCTALNUEOSA-SUMWQHHRSA-N -1 3 354.454 3.132 20 0 FGADHM Cc1cccnc1C(F)(F)C(=O)[N-]Cc1cc(COC(C)(C)C)on1 ZINC000278694866 497192918 /nfs/dbraw/zinc/19/29/18/497192918.db2.gz FGZPDCMAPNQINP-UHFFFAOYSA-N -1 3 353.369 3.101 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)[C@@H](c1ccccc1)N(C)C ZINC000192864350 497232498 /nfs/dbraw/zinc/23/24/98/497232498.db2.gz HSJFNYJPRGGTNO-DIFFPNOSSA-N -1 3 372.412 3.074 20 0 FGADHM CCc1onc(C)c1[N-]C(=O)c1nnn(Cc2ccc(F)cc2)c1CC ZINC000278869257 497248716 /nfs/dbraw/zinc/24/87/16/497248716.db2.gz ZBOSPRGRIJEDBA-UHFFFAOYSA-N -1 3 357.389 3.139 20 0 FGADHM COc1cccc(CN2CCC(C(=O)Nc3ccccc3[O-])CC2)c1F ZINC000192937282 497252127 /nfs/dbraw/zinc/25/21/27/497252127.db2.gz MZRFHPOYZHLQMP-UHFFFAOYSA-N -1 3 358.413 3.391 20 0 FGADHM Cc1ccc(C(=O)CCC(=O)CCC(=O)[N-]OCCC(F)(F)F)s1 ZINC000275208791 497255184 /nfs/dbraw/zinc/25/51/84/497255184.db2.gz JULLMTRMODEVJC-UHFFFAOYSA-N -1 3 365.373 3.369 20 0 FGADHM Cc1ccc(C(=O)N2CCC(O)(c3c(F)cccc3F)CC2)c([O-])c1C ZINC000275222385 497257988 /nfs/dbraw/zinc/25/79/88/497257988.db2.gz HKOHDAMTYRZVFA-UHFFFAOYSA-N -1 3 361.388 3.411 20 0 FGADHM COc1cc(Br)c(CNCC2(C(=O)[O-])CCCC2)c(OC)c1 ZINC000581048142 505898247 /nfs/dbraw/zinc/89/82/47/505898247.db2.gz FKTIUVOGICJJDT-UHFFFAOYSA-N -1 3 372.259 3.201 20 0 FGADHM COCCO[C@@H]1CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC000275389301 497309957 /nfs/dbraw/zinc/30/99/57/497309957.db2.gz BYPIBUDKMDRXFY-QGZVFWFLSA-N -1 3 357.406 3.062 20 0 FGADHM CCC[C@]1(C)CCCN(C(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)C1 ZINC000266347230 497311540 /nfs/dbraw/zinc/31/15/40/497311540.db2.gz NYFKPDVETVBAQM-QGZVFWFLSA-N -1 3 356.463 3.240 20 0 FGADHM Cc1nc(C)c(CCC(=O)Nc2cc(-c3ccco3)nn2C(C)C)c(=O)[n-]1 ZINC000279074341 497325075 /nfs/dbraw/zinc/32/50/75/497325075.db2.gz KSOKQJWCPRZPDK-UHFFFAOYSA-N -1 3 369.425 3.408 20 0 FGADHM CCC[C@@H]1[C@@H](C)CCCN1C(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000266392326 497325708 /nfs/dbraw/zinc/32/57/08/497325708.db2.gz IIIBTANTILLWID-BLLLJJGKSA-N -1 3 356.463 3.238 20 0 FGADHM COC(=O)c1scc(C)c1[N-]C(=O)c1cc(COC(C)(C)C)on1 ZINC000275438457 497326442 /nfs/dbraw/zinc/32/64/42/497326442.db2.gz PXEQRVJWUVXACR-UHFFFAOYSA-N -1 3 352.412 3.399 20 0 FGADHM C[C@@H]1[C@H](C)[S@@](=O)CCN1C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000271412455 497341516 /nfs/dbraw/zinc/34/15/16/497341516.db2.gz PUZNPNUXGVNKCW-JXQWACKNSA-N -1 3 359.447 3.166 20 0 FGADHM C[C@@H]1[C@@H](C)[S@@](=O)CCN1C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000271412452 497341525 /nfs/dbraw/zinc/34/15/25/497341525.db2.gz PUZNPNUXGVNKCW-IEBYYPBYSA-N -1 3 359.447 3.166 20 0 FGADHM C[C@H]1CCN(Cc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)[C@H]1CO ZINC000253586826 497343854 /nfs/dbraw/zinc/34/38/54/497343854.db2.gz UEROUFVZHKGTOH-WFASDCNBSA-N -1 3 355.463 3.267 20 0 FGADHM CC(C)c1ccc(NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000242934520 497356583 /nfs/dbraw/zinc/35/65/83/497356583.db2.gz GZUVHGGTVXWLJT-UHFFFAOYSA-N -1 3 372.899 3.442 20 0 FGADHM CCCCOc1ccc(C(=O)N2CCC[C@@H](c3nc(C)no3)C2)c([O-])c1 ZINC000190169163 497384102 /nfs/dbraw/zinc/38/41/02/497384102.db2.gz NMTMQPLQJSKFIE-CQSZACIVSA-N -1 3 359.426 3.282 20 0 FGADHM CC(C)CO[C@@H](C)c1noc(CO[N-]C(=O)c2c(F)cccc2Cl)n1 ZINC000266626001 497385018 /nfs/dbraw/zinc/38/50/18/497385018.db2.gz NKFXOUSVFRYGOQ-JTQLQIEISA-N -1 3 371.796 3.457 20 0 FGADHM O=C(N[C@@H]1CCO[C@]2(CCSC2)C1)c1cc([O-])ccc1C(F)(F)F ZINC000193599965 497424455 /nfs/dbraw/zinc/42/44/55/497424455.db2.gz YMEADAXUMFIYQW-MEBBXXQBSA-N -1 3 361.385 3.196 20 0 FGADHM CSc1cccc(NC(=O)CC[N-]S(=O)(=O)c2cccs2)c1C ZINC000271718826 497428409 /nfs/dbraw/zinc/42/84/09/497428409.db2.gz WLQLEJCKGMDGPX-UHFFFAOYSA-N -1 3 370.521 3.086 20 0 FGADHM CCCCCc1nnc(NC(=O)c2c(C)[n-]c(=O)nc2SC)s1 ZINC000266980267 497460401 /nfs/dbraw/zinc/46/04/01/497460401.db2.gz FQQSNEJXIMMTOZ-UHFFFAOYSA-N -1 3 353.473 3.049 20 0 FGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCCc1ccc(Cl)s1 ZINC000266988377 497462413 /nfs/dbraw/zinc/46/24/13/497462413.db2.gz IPZRKYCCFHQNOB-UHFFFAOYSA-N -1 3 353.875 3.476 20 0 FGADHM CC[C@@H]([N-]S(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C)c1c(C)noc1C ZINC000245627058 497479479 /nfs/dbraw/zinc/47/94/79/497479479.db2.gz DBXWBDOCHBRRML-IYOUNJFTSA-N -1 3 368.499 3.057 20 0 FGADHM Cc1cc(=O)[n-]c([C@H](C)N2CCC(C(=O)c3cc(F)ccc3F)CC2)n1 ZINC000279614622 497488240 /nfs/dbraw/zinc/48/82/40/497488240.db2.gz XXPDROXUZHESQD-LBPRGKRZSA-N -1 3 361.392 3.425 20 0 FGADHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)[C@H]1C2CCC(CC2)[C@@H]1C(F)(F)F ZINC000569333722 505910378 /nfs/dbraw/zinc/91/03/78/505910378.db2.gz RDIHYCUZEFWLCI-TVIXGXQYSA-N -1 3 357.376 3.236 20 0 FGADHM O=C([N-]c1n[nH]c(Cc2cccc(F)c2)n1)c1ccoc1Br ZINC000193831533 497495009 /nfs/dbraw/zinc/49/50/09/497495009.db2.gz BXUTYJOFZNYDCV-UHFFFAOYSA-N -1 3 365.162 3.142 20 0 FGADHM CCc1cccc(CC)c1NC(=O)[C@H](C)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000262119884 497511179 /nfs/dbraw/zinc/51/11/79/497511179.db2.gz JNPWQLZHVWUKFA-XXHMAFKTSA-N -1 3 358.482 3.325 20 0 FGADHM COC[C@@H](C)Oc1ccc(Cl)cc1NC([O-])=NO[C@H]1CCCCO1 ZINC000276188135 497516887 /nfs/dbraw/zinc/51/68/87/497516887.db2.gz LZFCJXWNOQBMAM-ABAIWWIYSA-N -1 3 358.822 3.333 20 0 FGADHM COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)[N-]O[C@H]1CCCCO1 ZINC000276188135 497516893 /nfs/dbraw/zinc/51/68/93/497516893.db2.gz LZFCJXWNOQBMAM-ABAIWWIYSA-N -1 3 358.822 3.333 20 0 FGADHM COc1ccc(-c2n[n-]cc2C(=O)Nc2ncn(C3CCCCC3)n2)cc1 ZINC000193944864 497528730 /nfs/dbraw/zinc/52/87/30/497528730.db2.gz IPANINKKHOCWPK-UHFFFAOYSA-N -1 3 366.425 3.434 20 0 FGADHM CC1(C)C[C@H]([N-]S(=O)(=O)c2cc(F)ccc2F)c2cc(N)ccc2O1 ZINC000262280067 497533728 /nfs/dbraw/zinc/53/37/28/497533728.db2.gz UJWTXNJTSBWAQC-AWEZNQCLSA-N -1 3 368.405 3.128 20 0 FGADHM CC1(C2CCN(C(=O)c3cc([O-])ccc3C(F)(F)F)CC2)OCCO1 ZINC000279830071 497555958 /nfs/dbraw/zinc/55/59/58/497555958.db2.gz IXUJHILXZJCQPA-UHFFFAOYSA-N -1 3 359.344 3.026 20 0 FGADHM COC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@@H](C)c2ccccc2Cl)c1 ZINC000569348446 505913868 /nfs/dbraw/zinc/91/38/68/505913868.db2.gz VWAOFJNNKRPYAX-JTQLQIEISA-N -1 3 371.817 3.305 20 0 FGADHM O=C([N-]OC[C@H]1CCOC1)Nc1cccc(NC(=O)C2CCCCC2)c1 ZINC000276381802 497559271 /nfs/dbraw/zinc/55/92/71/497559271.db2.gz LJWDPPFKMHJMNA-AWEZNQCLSA-N -1 3 361.442 3.295 20 0 FGADHM CC(C)c1cccc(-n2cc([O-])c(C(=O)N(C)[C@@H]3CCN(C)C[C@@H]3C)n2)c1 ZINC000245907576 497566800 /nfs/dbraw/zinc/56/68/00/497566800.db2.gz VJZINMKBRJAAJK-MAUKXSAKSA-N -1 3 370.497 3.114 20 0 FGADHM C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)N1CCC[C@@H](C(=O)[O-])C1 ZINC000262639969 497589607 /nfs/dbraw/zinc/58/96/07/497589607.db2.gz HCCDVEFZINMGAC-VQIMIIECSA-N -1 3 366.461 3.077 20 0 FGADHM CCn1c([N-]S(=O)(=O)CCc2cccc(Cl)c2)nc2cccnc21 ZINC000575084596 505916597 /nfs/dbraw/zinc/91/65/97/505916597.db2.gz DGMJNEZFKJBFDH-UHFFFAOYSA-N -1 3 364.858 3.089 20 0 FGADHM COc1ccc(NC([O-])=NOC[C@H]2CCOC2)c(OCc2ccccc2)c1 ZINC000276562682 497601336 /nfs/dbraw/zinc/60/13/36/497601336.db2.gz ZVHRNRXETXQVOD-INIZCTEOSA-N -1 3 372.421 3.364 20 0 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/nfs/dbraw/zinc/67/12/54/497671254.db2.gz INPBHZQHIZIRKZ-UHFFFAOYSA-N -1 3 351.406 3.297 20 0 FGADHM CC[C@H]1Oc2cc([C@H](C)NC(=O)c3ccc([O-])c(OC)c3)ccc2NC1=O ZINC000276922704 497688927 /nfs/dbraw/zinc/68/89/27/497688927.db2.gz MVOJZEDPNWZSRF-MEDUHNTESA-N -1 3 370.405 3.001 20 0 FGADHM O=C(Cc1noc(-c2cc([O-])ccc2C(F)(F)F)n1)NC1CCCC1 ZINC000280239188 497691023 /nfs/dbraw/zinc/69/10/23/497691023.db2.gz HYEGURUTTBKAPF-UHFFFAOYSA-N -1 3 355.316 3.062 20 0 FGADHM C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)CN1CCC[C@@H](CCC(=O)[O-])C1 ZINC000263059616 497694685 /nfs/dbraw/zinc/69/46/85/497694685.db2.gz FJCNDHJRRBEOBM-GJZGRUSLSA-N -1 3 366.889 3.436 20 0 FGADHM Cc1cc(C(=O)N2CCC(n3ccc(C(F)(F)F)n3)CC2)ccc1[O-] ZINC000272695740 497704340 /nfs/dbraw/zinc/70/43/40/497704340.db2.gz VFUBBSRGUVIIFY-UHFFFAOYSA-N -1 3 353.344 3.393 20 0 FGADHM CN(C)c1ccc([N-]S(=O)(=O)Cc2c(Cl)cccc2Cl)nc1 ZINC000194585466 497711633 /nfs/dbraw/zinc/71/16/33/497711633.db2.gz CTDZYRXDAALXBQ-UHFFFAOYSA-N -1 3 360.266 3.396 20 0 FGADHM CC[C@@H](NC(=O)c1cccc([O-])c1)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000272721906 497711874 /nfs/dbraw/zinc/71/18/74/497711874.db2.gz HJXIEUQRBQOFCN-MOPGFXCFSA-N -1 3 350.422 3.090 20 0 FGADHM COc1cc(C(=O)N2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)ccc1[O-] ZINC000277002212 497712322 /nfs/dbraw/zinc/71/23/22/497712322.db2.gz ZNCZGWGOAPKOBR-FUHWJXTLSA-N -1 3 359.397 3.268 20 0 FGADHM Cc1nc2ccccc2n1C[C@@H]1CCCN1C(=O)c1ccc(O)cc1[O-] ZINC000272793417 497732133 /nfs/dbraw/zinc/73/21/33/497732133.db2.gz XFGNSFVMQVLWAV-AWEZNQCLSA-N -1 3 351.406 3.061 20 0 FGADHM COCc1nc(S[C@@H](C(=O)N2c3ccccc3C[C@H]2C)C(C)C)n[n-]1 ZINC000268454922 497754545 /nfs/dbraw/zinc/75/45/45/497754545.db2.gz BZARIEPVYWSMEJ-MLGOLLRUSA-N -1 3 360.483 3.046 20 0 FGADHM COCc1nc(S[C@@H](C)C(=O)N[C@H](C)c2ccc3ccccc3c2)n[n-]1 ZINC000268458533 497755622 /nfs/dbraw/zinc/75/56/22/497755622.db2.gz CZSMDBUTJFQGCB-OLZOCXBDSA-N -1 3 370.478 3.462 20 0 FGADHM C[C@H](CN(C)[C@@H](C)C(=O)Nc1ccc(Oc2ccccc2)cc1)C(=O)[O-] ZINC000263321928 497757954 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CCc1c(NC(=O)c2cc(OC)c([O-])c(OC)c2)cnn1CCC(C)C ZINC000277198880 497773638 /nfs/dbraw/zinc/77/36/38/497773638.db2.gz UJWNNQSIZDRUAC-UHFFFAOYSA-N -1 3 361.442 3.467 20 0 FGADHM CC1(C)CN(C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)CC[C@H]1C(F)(F)F ZINC000191306746 497774985 /nfs/dbraw/zinc/77/49/85/497774985.db2.gz VAZYOFYMGJMXKJ-GFCCVEGCSA-N -1 3 369.343 3.013 20 0 FGADHM COCc1cccc(CN[C@H](CC(=O)[O-])c2ccc(OC)c(OC)c2)c1 ZINC000277310113 497799037 /nfs/dbraw/zinc/79/90/37/497799037.db2.gz NKGGQQSQOBFVAH-QGZVFWFLSA-N -1 3 359.422 3.156 20 0 FGADHM O=C([O-])c1ccc(CN2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)cc1 ZINC000263575495 497802006 /nfs/dbraw/zinc/80/20/06/497802006.db2.gz PDCCGEPRKMGTOF-AWEZNQCLSA-N -1 3 353.344 3.437 20 0 FGADHM O=S(=O)(CC12CCC(CC1)C2)[N-]Cc1nc(C(F)(F)F)cs1 ZINC000329557209 497828586 /nfs/dbraw/zinc/82/85/86/497828586.db2.gz BXANRDNEKCDUQT-UHFFFAOYSA-N -1 3 354.419 3.162 20 0 FGADHM CC(=O)Nc1ccc([N-]S(=O)(=O)CCCCF)c(C(F)(F)F)c1 ZINC000288583658 497838686 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CCc1cc(=O)[n-]c(-c2ccc(N[C@H](C)C(=O)N3CCCC[C@H]3C)nc2)n1 ZINC000301272308 498032026 /nfs/dbraw/zinc/03/20/26/498032026.db2.gz JZNNQLSURRUJAD-ZIAGYGMSSA-N -1 3 369.469 3.008 20 0 FGADHM C[C@H]1CCN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C[C@H]1C ZINC000569580843 505970041 /nfs/dbraw/zinc/97/00/41/505970041.db2.gz LAPIGNHYOYCOJU-WDEREUQCSA-N -1 3 363.255 3.409 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@](C)(O)c3ccsc3)nc2)n1 ZINC000301325599 498057486 /nfs/dbraw/zinc/05/74/86/498057486.db2.gz AQWAAADABQANAB-SFHVURJKSA-N -1 3 356.451 3.188 20 0 FGADHM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C(C)(C)c2c(C)noc2C)c1 ZINC000285345737 498058389 /nfs/dbraw/zinc/05/83/89/498058389.db2.gz DEIGLWVRYMQLQH-UHFFFAOYSA-N -1 3 370.858 3.361 20 0 FGADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCCN2c3ccccc3C[C@@H]2C1 ZINC000292609579 498078520 /nfs/dbraw/zinc/07/85/20/498078520.db2.gz ILWGZLZZIQKVCD-MRXNPFEDSA-N -1 3 359.429 3.218 20 0 FGADHM CCOc1cc(-c2noc([C@@H]3COCCN3C3CCCC3)n2)ccc1[O-] ZINC000289253429 498079816 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CC(C)[C@@H]1C[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2Cl)CCO1 ZINC000330621599 498161483 /nfs/dbraw/zinc/16/14/83/498161483.db2.gz BPPSVQRCSZUOHN-GWCFXTLKSA-N -1 3 352.283 3.475 20 0 FGADHM CC(C)[C@H]1C[C@H]([N-]S(=O)(=O)c2cccc(Cl)c2Cl)CCO1 ZINC000330628184 498163144 /nfs/dbraw/zinc/16/31/44/498163144.db2.gz LFCQPNQPGORQQI-ZYHUDNBSSA-N -1 3 352.283 3.475 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(NCCCc3c(C)noc3C)nc2)n1 ZINC000301572062 498167881 /nfs/dbraw/zinc/16/78/81/498167881.db2.gz OLAOUGGHPWXUME-UHFFFAOYSA-N -1 3 353.426 3.456 20 0 FGADHM CCS[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000330659171 498169331 /nfs/dbraw/zinc/16/93/31/498169331.db2.gz AMGOIWWOCPIJFR-WDEREUQCSA-N -1 3 368.446 3.443 20 0 FGADHM CCSc1cccc(CNC(=O)c2ccc([N-]S(C)(=O)=O)cc2)c1 ZINC000578658722 505991567 /nfs/dbraw/zinc/99/15/67/505991567.db2.gz KAQXPIBXEJNIFJ-UHFFFAOYSA-N -1 3 364.492 3.100 20 0 FGADHM CC[C@H](CNC(=O)c1c[n-]nc1-c1ccccn1)Oc1ccccc1F ZINC000572534476 505991980 /nfs/dbraw/zinc/99/19/80/505991980.db2.gz DSNDKSXHPAKPSB-CYBMUJFWSA-N -1 3 354.385 3.198 20 0 FGADHM COc1ccc(S(=O)(=O)[N-][C@H](c2nccs2)C(F)(F)F)cc1C ZINC000292887507 498183734 /nfs/dbraw/zinc/18/37/34/498183734.db2.gz UTPHCLKRWWIXTR-LLVKDONJSA-N -1 3 366.386 3.042 20 0 FGADHM COC(=O)CCSCc1cccc(NC([O-])=NOC/C=C/Cl)c1 ZINC000289559266 498193681 /nfs/dbraw/zinc/19/36/81/498193681.db2.gz KWWQSFALZVLUDC-XVNBXDOJSA-N -1 3 358.847 3.289 20 0 FGADHM COC(=O)CCSCc1cccc(NC(=O)[N-]OC/C=C/Cl)c1 ZINC000289559266 498193682 /nfs/dbraw/zinc/19/36/82/498193682.db2.gz KWWQSFALZVLUDC-XVNBXDOJSA-N -1 3 358.847 3.289 20 0 FGADHM Cc1ccc2ncc(CN3CCC(n4cc(C(=O)[O-])cn4)CC3)cc2c1 ZINC000569700864 505996866 /nfs/dbraw/zinc/99/68/66/505996866.db2.gz KOYHWBBWLSAJSZ-UHFFFAOYSA-N -1 3 350.422 3.275 20 0 FGADHM COC(=O)c1ccc(C(=O)Nc2ccc(NC(=O)OC(C)(C)C)cc2)[n-]1 ZINC000292957332 498211580 /nfs/dbraw/zinc/21/15/80/498211580.db2.gz BBMRPQCOQBRFOZ-UHFFFAOYSA-N -1 3 359.382 3.401 20 0 FGADHM CCOc1ccc(-n2c([O-])c(CC(F)(F)F)[nH]c2=O)c2ncccc12 ZINC000285896403 498234642 /nfs/dbraw/zinc/23/46/42/498234642.db2.gz FAYVKGVQNKLJFT-JTQLQIEISA-N -1 3 353.300 3.011 20 0 FGADHM CC1(C)[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)[C@H]2CCCO[C@H]21 ZINC000572579937 506003021 /nfs/dbraw/zinc/00/30/21/506003021.db2.gz HUBHHDHHZAVWEL-LERXQTSPSA-N -1 3 364.294 3.475 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H]3CCO[C@@]4(CCSC4)C3)nc2)n1 ZINC000301741008 498246548 /nfs/dbraw/zinc/24/65/48/498246548.db2.gz XSULFKTWUGEBJG-BEFAXECRSA-N -1 3 372.494 3.273 20 0 FGADHM O=S(=O)([N-]CCNc1ccnc2cc(Cl)ccc21)c1cccs1 ZINC000301751315 498250894 /nfs/dbraw/zinc/25/08/94/498250894.db2.gz AXKIFUJUJDUVQJ-UHFFFAOYSA-N -1 3 367.883 3.340 20 0 FGADHM C[C@@H]([C@H](C)NC(=O)c1ccc([N-]S(C)(=O)=O)cc1)C1CCCCC1 ZINC000331093765 498251392 /nfs/dbraw/zinc/25/13/92/498251392.db2.gz JWFHEFDEAJELMT-KBPBESRZSA-N -1 3 352.500 3.393 20 0 FGADHM CCc1cccc(-c2nc(CC(=O)N(C)Cc3ccccc3)no2)c1[O-] ZINC000578720078 506004769 /nfs/dbraw/zinc/00/47/69/506004769.db2.gz QBNHULSLMJOJKP-UHFFFAOYSA-N -1 3 351.406 3.206 20 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Cc1cccnc1S[C@@H](C)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000286356455 498375349 /nfs/dbraw/zinc/37/53/49/498375349.db2.gz BWOXQSWSJJNNLW-LBPRGKRZSA-N -1 3 350.465 3.125 20 0 FGADHM C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)N=c2cc(OC(F)F)n(C)[n-]2)C1 ZINC000331591965 498384810 /nfs/dbraw/zinc/38/48/10/498384810.db2.gz UHQSEBHEYMCDIL-MFKMUULPSA-N -1 3 368.359 3.198 20 0 FGADHM CC[C@H](CSC)[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000572669608 506025331 /nfs/dbraw/zinc/02/53/31/506025331.db2.gz BOXQCRGFDLYYJK-SECBINFHSA-N -1 3 356.282 3.008 20 0 FGADHM CC[C@@H](CSC)[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000572669609 506025385 /nfs/dbraw/zinc/02/53/85/506025385.db2.gz BOXQCRGFDLYYJK-VIFPVBQESA-N -1 3 356.282 3.008 20 0 FGADHM O=C(Cc1ccccc1OC1CCCC1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000575886064 506026855 /nfs/dbraw/zinc/02/68/55/506026855.db2.gz YPPROMXULABQLN-UHFFFAOYSA-N -1 3 363.421 3.369 20 0 FGADHM O=C(Cc1ccccc1OC1CCCC1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000575886064 506026857 /nfs/dbraw/zinc/02/68/57/506026857.db2.gz 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ZINC000282318087 498463984 /nfs/dbraw/zinc/46/39/84/498463984.db2.gz ZDCPRWCSCPGKEF-BEFAXECRSA-N -1 3 363.479 3.129 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)C1(Cc2ccc(F)cc2)CCOCC1 ZINC000293764131 498480424 /nfs/dbraw/zinc/48/04/24/498480424.db2.gz SATRIVIANWNIQU-UHFFFAOYSA-N -1 3 361.388 3.326 20 0 FGADHM CCCCOc1ccc(C(=O)N2CCC[C@@H](c3nccn3C)C2)c([O-])c1 ZINC000365465804 498482177 /nfs/dbraw/zinc/48/21/77/498482177.db2.gz WUEPAURCESFCGZ-OAHLLOKOSA-N -1 3 357.454 3.324 20 0 FGADHM CO[C@H](C)CS(=O)(=O)[N-]Cc1nc(-c2ccc(Cl)cc2)c(C)s1 ZINC000282369493 498484456 /nfs/dbraw/zinc/48/44/56/498484456.db2.gz ZKFOSNSQXVZYBM-SNVBAGLBSA-N -1 3 374.915 3.226 20 0 FGADHM O=S(=O)([N-][C@@H]1CC=CCC1)c1c(Cl)cccc1Br ZINC000302446691 498486821 /nfs/dbraw/zinc/48/68/21/498486821.db2.gz NSABBEHITHHFSD-SECBINFHSA-N -1 3 350.665 3.490 20 0 FGADHM CN(CCCN(C)C(=O)c1cc(F)c([O-])c(Cl)c1)Cc1ccco1 ZINC000286719705 498488122 /nfs/dbraw/zinc/48/81/22/498488122.db2.gz QVPSZRFCOGQCAK-UHFFFAOYSA-N -1 3 354.809 3.372 20 0 FGADHM COC[C@]1(C(=O)[O-])CCCN(Cc2ccc(OC(C)C)c(Cl)c2)C1 ZINC000578875813 506042343 /nfs/dbraw/zinc/04/23/43/506042343.db2.gz XYMNHPMUUKYSOY-SFHVURJKSA-N -1 3 355.862 3.440 20 0 FGADHM CN(CCC[N-]C(=O)C(F)(F)F)[C@H](c1ccccc1)c1ccccn1 ZINC000362303448 498490507 /nfs/dbraw/zinc/49/05/07/498490507.db2.gz AVOVULLTMJBQMC-MRXNPFEDSA-N -1 3 351.372 3.171 20 0 FGADHM CSc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3ccccn3)C2)c([O-])c1 ZINC000365547063 498525941 /nfs/dbraw/zinc/52/59/41/498525941.db2.gz NDUTXQUEPSYAPD-CYBMUJFWSA-N -1 3 371.462 3.000 20 0 FGADHM C[C@@H](CC(=O)N1CCN(C(=O)c2cccc([O-])c2)CC1)C1CCCCC1 ZINC000332012018 498532929 /nfs/dbraw/zinc/53/29/29/498532929.db2.gz TZXZHJQUSRZWTQ-INIZCTEOSA-N -1 3 358.482 3.283 20 0 FGADHM CCCCS[C@@H](C)C(=O)NC1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000362748246 498548450 /nfs/dbraw/zinc/54/84/50/498548450.db2.gz OTTCZSZGMRFGHW-AWEZNQCLSA-N -1 3 364.511 3.035 20 0 FGADHM Cc1cc(NCCNC(=O)c2ccc([O-])cc2)c2ccc(F)c(F)c2n1 ZINC000302745476 498557249 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FGADHM CC(C)(C)c1ccccc1C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000332154863 498582509 /nfs/dbraw/zinc/58/25/09/498582509.db2.gz WXSWGKNVSBFGQE-UHFFFAOYSA-N -1 3 366.461 3.288 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-][C@H](C)c1ccc(OC)c(OC)c1C ZINC000287155211 498651269 /nfs/dbraw/zinc/65/12/69/498651269.db2.gz CRTWHIZDPMOTKJ-LLVKDONJSA-N -1 3 371.480 3.122 20 0 FGADHM O=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)NCc2ccc([O-])c(F)c2)C1 ZINC000363119386 498658759 /nfs/dbraw/zinc/65/87/59/498658759.db2.gz JDIZWNAIARPUGO-OAHLLOKOSA-N -1 3 371.412 3.092 20 0 FGADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@H]1CCC1(C)C ZINC000581841959 506071202 /nfs/dbraw/zinc/07/12/02/506071202.db2.gz LUXCHMVTDGHUHC-LBPRGKRZSA-N -1 3 353.465 3.155 20 0 FGADHM COC(=O)[C@H](C)Cc1ccc(NC(=O)c2[n-]nc3c2cccc3OC)cc1 ZINC000581849290 506073344 /nfs/dbraw/zinc/07/33/44/506073344.db2.gz KBDVNVOBLZPKGP-GFCCVEGCSA-N -1 3 367.405 3.175 20 0 FGADHM COC(=O)[C@H](C)Cc1ccc(NC(=O)c2n[n-]c3c2cccc3OC)cc1 ZINC000581849290 506073346 /nfs/dbraw/zinc/07/33/46/506073346.db2.gz KBDVNVOBLZPKGP-GFCCVEGCSA-N -1 3 367.405 3.175 20 0 FGADHM Cc1nccn1C[C@H](C)CNC(=O)CCc1ccc2ccccc2c1[O-] ZINC000294388486 498679303 /nfs/dbraw/zinc/67/93/03/498679303.db2.gz IQJSDVBEQOFTJF-OAHLLOKOSA-N -1 3 351.450 3.435 20 0 FGADHM Cc1ccc(C(=O)N[C@H]2CCN(c3ccccc3OC(F)F)C2)c([O-])c1 ZINC000303673738 498705217 /nfs/dbraw/zinc/70/52/17/498705217.db2.gz PVPULAJMDBRSGD-ZDUSSCGKSA-N -1 3 362.376 3.311 20 0 FGADHM CCOC(=O)C(C)(C)NCc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000298241993 498707106 /nfs/dbraw/zinc/70/71/06/498707106.db2.gz SGAFDYYSTORCLE-UHFFFAOYSA-N -1 3 361.423 3.088 20 0 FGADHM O=C(Nc1ccccc1[O-])C1CCN(C(=O)[C@H]2CCCCC2(F)F)CC1 ZINC000294523313 498718285 /nfs/dbraw/zinc/71/82/85/498718285.db2.gz TYSUDUXFKHPSGC-CQSZACIVSA-N -1 3 366.408 3.395 20 0 FGADHM Cc1c(-c2ccncc2)[n-][nH]c1=NC(=O)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000363255708 498730048 /nfs/dbraw/zinc/73/00/48/498730048.db2.gz BHFQQMKKQXNZKO-ZFWWWQNUSA-N -1 3 354.360 3.222 20 0 FGADHM Cc1cccc(S(=O)(=O)[N-][C@H](C)CCOCc2ccccc2)c1F ZINC000313216632 498766154 /nfs/dbraw/zinc/76/61/54/498766154.db2.gz GJDDAXHOTYQEMC-OAHLLOKOSA-N -1 3 351.443 3.408 20 0 FGADHM C[C@@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)[C@@H]1OCCc2sccc21 ZINC000294744838 498791953 /nfs/dbraw/zinc/79/19/53/498791953.db2.gz VLYQWECDXWKSDN-ZMZPIMSZSA-N -1 3 354.431 3.434 20 0 FGADHM CC1(c2ccccc2)CC([N-]S(=O)(=O)c2cccnc2C(F)(F)F)C1 ZINC000576166717 506092816 /nfs/dbraw/zinc/09/28/16/506092816.db2.gz AEFAIAKFNGETNB-UHFFFAOYSA-N -1 3 370.396 3.499 20 0 FGADHM O=S(=O)([N-]C1(c2noc(C(F)F)n2)CCC1)c1ccc(Cl)s1 ZINC000366208305 498825086 /nfs/dbraw/zinc/82/50/86/498825086.db2.gz TVAKGAYYTRESPC-UHFFFAOYSA-N -1 3 369.802 3.080 20 0 FGADHM O=C(C[C@H]1CN(Cc2ccccc2)CCO1)Nc1c([O-])cccc1Cl ZINC000570129820 506096813 /nfs/dbraw/zinc/09/68/13/506096813.db2.gz GEURWLRCBKHLRN-HNNXBMFYSA-N -1 3 360.841 3.275 20 0 FGADHM CCOc1cc(C(=O)[N-]c2cc(C(=O)NC(C)C)ccc2Cl)on1 ZINC000298616768 498829576 /nfs/dbraw/zinc/82/95/76/498829576.db2.gz RXXNNQXFKKUNEK-UHFFFAOYSA-N -1 3 351.790 3.117 20 0 FGADHM CCn1cc([C@@H](C)NCc2ccc(OC)c([O-])c2Br)cn1 ZINC000294868096 498831411 /nfs/dbraw/zinc/83/14/11/498831411.db2.gz PBFMYJUZBIIEJS-SNVBAGLBSA-N -1 3 354.248 3.231 20 0 FGADHM Cc1noc(C)c1-c1nc(C)c(C(=O)[N-]c2n[nH]c(C3CCC3)n2)s1 ZINC000294883964 498837206 /nfs/dbraw/zinc/83/72/06/498837206.db2.gz FOMXFONBYYBWQN-UHFFFAOYSA-N -1 3 358.427 3.361 20 0 FGADHM Cc1cc(C)c2[n-]cc(C(=O)N3CCC[C@H]3C3CCOCC3)c(=O)c2c1 ZINC000332978467 498855472 /nfs/dbraw/zinc/85/54/72/498855472.db2.gz OYCWBARUVUQEKP-SFHVURJKSA-N -1 3 354.450 3.176 20 0 FGADHM Cc1nn(C)c(C)c1C[N-]C(=O)C(F)(F)c1ccccc1Br ZINC000294963688 498864184 /nfs/dbraw/zinc/86/41/84/498864184.db2.gz MUKMQPNYTDSTJN-UHFFFAOYSA-N -1 3 372.213 3.208 20 0 FGADHM Cc1ccc2cc(C(=O)N3CCC[C@@H](C[N-]C(=O)C(F)(F)F)C3)[nH]c2c1 ZINC000291260539 498866763 /nfs/dbraw/zinc/86/67/63/498866763.db2.gz YSKNCRYTLPBBOS-LBPRGKRZSA-N -1 3 367.371 3.007 20 0 FGADHM CCN(CC)C(=O)Nc1ccc([C@H](C)NC(=O)c2ccc(O)cc2[O-])cc1 ZINC000298771737 498875398 /nfs/dbraw/zinc/87/53/98/498875398.db2.gz UOTOPUCWZMNJTE-ZDUSSCGKSA-N -1 3 371.437 3.463 20 0 FGADHM Cc1csc([C@H]2CN(C(=O)c3ccc4c(c3[O-])OC(C)(C)C4)CCO2)n1 ZINC000333040964 498878412 /nfs/dbraw/zinc/87/84/12/498878412.db2.gz JMIJBKPTSRUWKA-CQSZACIVSA-N -1 3 374.462 3.084 20 0 FGADHM COC(=O)[C@@H]1CCN(C(=O)CCc2ccc3ccccc3c2[O-])C[C@@H]1C ZINC000295054512 498894542 /nfs/dbraw/zinc/89/45/42/498894542.db2.gz AUZQQYVDWAMKCZ-WMLDXEAASA-N -1 3 355.434 3.136 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N3CC[C@@H](Oc4ccccc4)C3)c[n-]c12 ZINC000366382621 498903019 /nfs/dbraw/zinc/90/30/19/498903019.db2.gz BBXWWPRNMLHGIF-MRXNPFEDSA-N -1 3 366.392 3.269 20 0 FGADHM CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)[N-]OCc1cccnc1)O[C@H](C)C2 ZINC000366432088 498925418 /nfs/dbraw/zinc/92/54/18/498925418.db2.gz APVCAPNAUVEWAP-RPVQJOFSSA-N -1 3 368.433 3.155 20 0 FGADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]C(C)(C)C(F)(F)F)c2ccccc12 ZINC000295153092 498927006 /nfs/dbraw/zinc/92/70/06/498927006.db2.gz BZGXCNIRSQNJFQ-UHFFFAOYSA-N -1 3 374.384 3.417 20 0 FGADHM COc1ccc2c(c1)[n-]cc(C(=O)N1CCS[C@H]3CCCC[C@H]31)c2=O ZINC000333211040 498938161 /nfs/dbraw/zinc/93/81/61/498938161.db2.gz ZQYFXHQAMGOGIU-SJORKVTESA-N -1 3 358.463 3.037 20 0 FGADHM O=C(c1s[n-]c(=O)c1Cl)N1CCCN(CC2CCCCC2)CC1 ZINC000328789955 498939499 /nfs/dbraw/zinc/93/94/99/498939499.db2.gz QCEZJZZKXGRNAL-UHFFFAOYSA-N -1 3 357.907 3.230 20 0 FGADHM Cc1nc(C)n(C[C@H]2CCCN(C(=O)c3cc4c(cc3[O-])CCCC4)C2)n1 ZINC000333220604 498942339 /nfs/dbraw/zinc/94/23/39/498942339.db2.gz DPNTYOPBKKZTNH-INIZCTEOSA-N -1 3 368.481 3.032 20 0 FGADHM CCc1cc(C(=O)N2CCC(C(=O)NC3CCCCC3)CC2)ccc1[O-] ZINC000291449087 498943729 /nfs/dbraw/zinc/94/37/29/498943729.db2.gz GWWNJRBZMPPMFZ-UHFFFAOYSA-N -1 3 358.482 3.256 20 0 FGADHM O=C(c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)N1CC[C@@H]1C1CC1 ZINC000579199985 506115908 /nfs/dbraw/zinc/11/59/08/506115908.db2.gz LFTPKLYUUQCQKO-GOSISDBHSA-N -1 3 374.437 3.251 20 0 FGADHM O=C([O-])[C@]1(C(F)(F)F)CCN(CCOc2ccc(C(F)(F)F)cc2)C1 ZINC000576286460 506122081 /nfs/dbraw/zinc/12/20/81/506122081.db2.gz YZWKQIHLOLWAKA-ZDUSSCGKSA-N -1 3 371.277 3.423 20 0 FGADHM CCOc1cc(CN2CCC(O)(C(F)(F)F)CC2)cc(Cl)c1[O-] ZINC000284000252 499027353 /nfs/dbraw/zinc/02/73/53/499027353.db2.gz JWODLCNUYKIWRK-UHFFFAOYSA-N -1 3 353.768 3.334 20 0 FGADHM CCCCn1c(=O)[n-]nc1S[C@H](C(=O)OC)c1ccc(Cl)cc1 ZINC000582073999 506127254 /nfs/dbraw/zinc/12/72/54/506127254.db2.gz XMIWVWFVMSZKMC-LBPRGKRZSA-N -1 3 355.847 3.444 20 0 FGADHM CCc1cc(C(=O)N[C@@H](C)c2nc(Cc3ccccc3)no2)ccc1[O-] ZINC000291731312 499050052 /nfs/dbraw/zinc/05/00/52/499050052.db2.gz CDQNYGDOHQTHKS-ZDUSSCGKSA-N -1 3 351.406 3.419 20 0 FGADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCC[C@@]2(C1)OCc1ccccc12 ZINC000363954766 499065542 /nfs/dbraw/zinc/06/55/42/499065542.db2.gz XRIUCVXAWMFQBM-QFIPXVFZSA-N -1 3 360.413 3.190 20 0 FGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)[C@H]2CCC(=O)c3ccccc32)c1 ZINC000284275458 499080923 /nfs/dbraw/zinc/08/09/23/499080923.db2.gz HWOKDIYDFLMMTL-HNNXBMFYSA-N -1 3 372.446 3.065 20 0 FGADHM COC(=O)c1ccc(-c2nc([C@H](NC(=O)OC(C)(C)C)C(C)C)no2)[n-]1 ZINC000291838714 499082505 /nfs/dbraw/zinc/08/25/05/499082505.db2.gz FSIZLVGXPUTESQ-GFCCVEGCSA-N -1 3 364.402 3.073 20 0 FGADHM Cc1ccc2[nH]c3c(c2c1)C[C@@H]([N-]S(=O)(=O)c1cn(C(C)C)cn1)CC3 ZINC000329263588 499086734 /nfs/dbraw/zinc/08/67/34/499086734.db2.gz ZVVNEULTRAOYJQ-AWEZNQCLSA-N -1 3 372.494 3.090 20 0 FGADHM C[C@]1(c2ccc(F)cc2)CCN(C(=O)c2cc(=O)c3ccccc3[n-]2)C1 ZINC000366831088 499087936 /nfs/dbraw/zinc/08/79/36/499087936.db2.gz SJJVDMAWIGLYEO-NRFANRHFSA-N -1 3 350.393 3.471 20 0 FGADHM Cc1nc(C)c(CCC(=O)Nc2nc3c(s2)CCCC3(C)C)c(=O)[n-]1 ZINC000291870253 499089898 /nfs/dbraw/zinc/08/98/98/499089898.db2.gz KWSCGUMHKBVDNB-UHFFFAOYSA-N -1 3 360.483 3.441 20 0 FGADHM O=C(Cc1ccc([O-])cc1Cl)N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1 ZINC000366835993 499089887 /nfs/dbraw/zinc/08/98/87/499089887.db2.gz CQRXMHMQTZMOOB-PKOBYXMFSA-N -1 3 367.836 3.446 20 0 FGADHM CC(C)([N-]S(C)(=O)=O)c1nc(C2CCC(c3ccccc3)CC2)no1 ZINC000295783746 499100582 /nfs/dbraw/zinc/10/05/82/499100582.db2.gz ACJYIAFMXAXBGX-UHFFFAOYSA-N -1 3 363.483 3.295 20 0 FGADHM CO[C@H](c1ccccc1Cl)[C@@H](C)NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000570292827 506134555 /nfs/dbraw/zinc/13/45/55/506134555.db2.gz LCMQGMYDYRMRDR-HWPZZCPQSA-N -1 3 361.829 3.219 20 0 FGADHM CCc1nc(C)c(C[N-]S(=O)(=O)Cc2ccccc2C(F)(F)F)o1 ZINC000291947581 499109013 /nfs/dbraw/zinc/10/90/13/499109013.db2.gz NWAXFNWTNBSEMU-UHFFFAOYSA-N -1 3 362.373 3.184 20 0 FGADHM C[C@@H](c1ncc(-c2ccc(Cl)cc2)o1)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000329453255 499123830 /nfs/dbraw/zinc/12/38/30/499123830.db2.gz PGWYRQUWTLZWMP-GXFFZTMASA-N -1 3 360.801 3.132 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H](N)c3ccc(C)cc3)c2)n1 ZINC000369798179 499130501 /nfs/dbraw/zinc/13/05/01/499130501.db2.gz BNFPXJTXOWKYCF-IBGZPJMESA-N -1 3 362.433 3.359 20 0 FGADHM Cc1c(C(=O)[O-])sc2ncnc(N3CCN(C4CCC(C)CC4)CC3)c12 ZINC000570283274 506132774 /nfs/dbraw/zinc/13/27/74/506132774.db2.gz PJBOYPNNNRQXDI-UHFFFAOYSA-N -1 3 374.510 3.399 20 0 FGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H]1CCOc2c(F)cccc21 ZINC000370017863 499167169 /nfs/dbraw/zinc/16/71/69/499167169.db2.gz LCNDFMLXYQTJOD-CYBMUJFWSA-N -1 3 359.401 3.181 20 0 FGADHM O=C(Cc1ccc([O-])cc1Cl)N1CCC[C@@](CO)(c2ccccc2)C1 ZINC000367275865 499172303 /nfs/dbraw/zinc/17/23/03/499172303.db2.gz YYZHILVFZSWHOA-HXUWFJFHSA-N -1 3 359.853 3.141 20 0 FGADHM O=C(Nc1ccccc1-c1nnc[nH]1)c1ccc(Br)cc1[O-] ZINC000370313457 499208624 /nfs/dbraw/zinc/20/86/24/499208624.db2.gz AKLLHQKKYTUBNI-UHFFFAOYSA-N -1 3 359.183 3.192 20 0 FGADHM O=C([N-]CCCN1CCCC[C@@H]1c1nc2ccccc2o1)C(F)(F)F ZINC000367622994 499218963 /nfs/dbraw/zinc/21/89/63/499218963.db2.gz LCWDJUSYPJWKIK-CYBMUJFWSA-N -1 3 355.360 3.423 20 0 FGADHM C[C@@H](NC(=O)c1c[n-]c2ccccc2c1=O)c1ccccc1-n1cccn1 ZINC000370457712 499222618 /nfs/dbraw/zinc/22/26/18/499222618.db2.gz PZUDNMVYNORXKA-CQSZACIVSA-N -1 3 358.401 3.205 20 0 FGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)[C@]2(C)[C@@H]3Cc4ccccc4[C@@H]32)c1 ZINC000370685065 499244108 /nfs/dbraw/zinc/24/41/08/499244108.db2.gz WQHPOLWGYABADW-MOXGXCLJSA-N -1 3 370.474 3.281 20 0 FGADHM Cc1ccc(NC(=O)NC2CCN(C(=O)c3cccc([O-])c3)CC2)cc1C ZINC000370740417 499250085 /nfs/dbraw/zinc/25/00/85/499250085.db2.gz OKIBVTMMWSRVRJ-UHFFFAOYSA-N -1 3 367.449 3.435 20 0 FGADHM O=C(c1c[n-]c2c(OC(F)(F)F)cccc2c1=O)N1CC[C@H]1C1CC1 ZINC000573198289 506141092 /nfs/dbraw/zinc/14/10/92/506141092.db2.gz DUZMKKGBKJAWOK-LBPRGKRZSA-N -1 3 352.312 3.051 20 0 FGADHM Cc1ccc(C(=O)N(C)[C@H](c2ccc(F)cc2)c2cnccn2)c([O-])c1 ZINC000370993381 499278494 /nfs/dbraw/zinc/27/84/94/499278494.db2.gz PXTXDTBQCAWLGM-LJQANCHMSA-N -1 3 351.381 3.491 20 0 FGADHM Cc1cc(C)n2nc(C(=O)[N-]c3nc(-c4ccccc4Cl)co3)nc2n1 ZINC000368548771 499306492 /nfs/dbraw/zinc/30/64/92/499306492.db2.gz LDJFUCGUMPMYCQ-UHFFFAOYSA-N -1 3 368.784 3.302 20 0 FGADHM Cc1c2cccc(Cl)c2oc1C(=O)[N-]c1ncn(-c2ccccn2)n1 ZINC000371393734 499320197 /nfs/dbraw/zinc/32/01/97/499320197.db2.gz SELCUODEYJEPHE-UHFFFAOYSA-N -1 3 353.769 3.045 20 0 FGADHM O=C(N=c1[nH][n-]cc1Br)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000582138094 506142461 /nfs/dbraw/zinc/14/24/61/506142461.db2.gz XLHOSKRESLNYKL-ZIAGYGMSSA-N -1 3 356.223 3.490 20 0 FGADHM O=C(NC1CCN(Cc2cscn2)CC1)c1cc2ccccc2cc1[O-] ZINC000368930823 499347919 /nfs/dbraw/zinc/34/79/19/499347919.db2.gz LRFRRDSOWNAUHV-UHFFFAOYSA-N -1 3 367.474 3.396 20 0 FGADHM C[C@H](C(=O)N1CCCCCC1)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000368935399 499348579 /nfs/dbraw/zinc/34/85/79/499348579.db2.gz YMBAQEIWJZVYOP-MRXNPFEDSA-N -1 3 358.482 3.355 20 0 FGADHM Cc1nn(-c2ccccc2)c(C)c1C(=O)N=c1[nH][n-]c(-c2ccncc2)c1C ZINC000371822428 499368884 /nfs/dbraw/zinc/36/88/84/499368884.db2.gz KGRPIKGXQKZSOB-UHFFFAOYSA-N -1 3 372.432 3.257 20 0 FGADHM Cc1nc(C)c(CCC(=O)N[C@H]2CC[C@H](c3ccccc3F)C2)c(=O)[n-]1 ZINC000369533534 499413944 /nfs/dbraw/zinc/41/39/44/499413944.db2.gz SZNDPYZPJDDYTC-GJZGRUSLSA-N -1 3 357.429 3.323 20 0 FGADHM Cc1nn(-c2ccc(F)cc2)cc1CNC(=O)NCc1ccc([O-])c(F)c1 ZINC000369535188 499413991 /nfs/dbraw/zinc/41/39/91/499413991.db2.gz OQVSZDNRVSQBHC-UHFFFAOYSA-N -1 3 372.375 3.164 20 0 FGADHM COc1cc(C(=O)N2CCC(Nc3ccccc3C)CC2)cc(OC)c1[O-] ZINC000372362086 499424979 /nfs/dbraw/zinc/42/49/79/499424979.db2.gz VHVINHTWDKQQPK-UHFFFAOYSA-N -1 3 370.449 3.435 20 0 FGADHM O=C(Nc1cccc([O-])c1F)[C@H]1CS[C@@]2(c3ccccc3)CCC(=O)N12 ZINC000372364900 499425188 /nfs/dbraw/zinc/42/51/88/499425188.db2.gz HTGFLLGJZQKSJP-AUUYWEPGSA-N -1 3 372.421 3.061 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)[C@H]2CCOC2)c(Cl)n1 ZINC000369632967 499429061 /nfs/dbraw/zinc/42/90/61/499429061.db2.gz ZKKLDWWLPXUQTN-HOCLYGCPSA-N -1 3 366.870 3.100 20 0 FGADHM O=S(=O)(Cc1ccon1)[N-][C@H](c1cccs1)c1ccc2c(c1)CCC2 ZINC000369674062 499435177 /nfs/dbraw/zinc/43/51/77/499435177.db2.gz MZWMTKAPRDBQSI-SFHVURJKSA-N -1 3 374.487 3.434 20 0 FGADHM O=C(Nc1ccccc1[O-])[C@@H]1CCCN(c2ncnc3sccc32)C1 ZINC000369781877 499442810 /nfs/dbraw/zinc/44/28/10/499442810.db2.gz KDGGFVAQIIGPFL-GFCCVEGCSA-N -1 3 354.435 3.252 20 0 FGADHM 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3.034 20 0 FGADHM CC1(C)CN(C(=O)c2c[n-]c3c(Cl)cccc3c2=O)[C@H]1[C@H]1CCCO1 ZINC000412352216 499847742 /nfs/dbraw/zinc/84/77/42/499847742.db2.gz CMQROYMGTQVFCM-PBHICJAKSA-N -1 3 360.841 3.211 20 0 FGADHM CC1(C)CN(C(=O)c2cnc3c(Cl)cccc3c2[O-])[C@H]1[C@H]1CCCO1 ZINC000412352216 499847743 /nfs/dbraw/zinc/84/77/43/499847743.db2.gz CMQROYMGTQVFCM-PBHICJAKSA-N -1 3 360.841 3.211 20 0 FGADHM CSC[C@@H]1CCCN(C(=O)c2c[n-]c3c(Cl)cccc3c2=O)C1 ZINC000412361381 499848687 /nfs/dbraw/zinc/84/86/87/499848687.db2.gz MRVSSSZEGXJWSV-LLVKDONJSA-N -1 3 350.871 3.397 20 0 FGADHM COC[C@@H](CNC(=O)c1ccc(C(C)=O)c([O-])c1)c1ccc(Cl)cc1 ZINC000412384244 499850555 /nfs/dbraw/zinc/85/05/55/499850555.db2.gz PGKBIMPUMFFDEU-OAHLLOKOSA-N -1 3 361.825 3.408 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)C3(C(F)(F)F)CCCC3)[n-]c21 ZINC000415329684 499886723 /nfs/dbraw/zinc/88/67/23/499886723.db2.gz JPSZIWYDTNSLFM-UHFFFAOYSA-N -1 3 355.316 3.411 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)C3(C(F)(F)F)CCCC3)nc21 ZINC000415329684 499886724 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CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1cccc(-c2nccc(C)n2)c1 ZINC000421155650 499975301 /nfs/dbraw/zinc/97/53/01/499975301.db2.gz ODYHUAGPIFRIJZ-QGZVFWFLSA-N -1 3 363.483 3.255 20 0 FGADHM CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1cccc(-c2nc(C)co2)c1 ZINC000421157567 499976120 /nfs/dbraw/zinc/97/61/20/499976120.db2.gz QQCGRVXFLSAJQG-MRXNPFEDSA-N -1 3 352.456 3.453 20 0 FGADHM CC(C)C[C@H](CNC(=O)c1c[n-]c2ccccc2c1=O)C(=O)OC(C)(C)C ZINC000424958718 499977848 /nfs/dbraw/zinc/97/78/48/499977848.db2.gz XEABGWSKUZPOLS-CQSZACIVSA-N -1 3 372.465 3.262 20 0 FGADHM CC[C@@H](CS(=O)(=O)[N-]c1cccc(Cn2ccnc2C(C)C)c1)OC ZINC000421226556 499996105 /nfs/dbraw/zinc/99/61/05/499996105.db2.gz MQIHCIHFUFBALV-KRWDZBQOSA-N -1 3 365.499 3.222 20 0 FGADHM CC[C@H](CS(=O)(=O)[N-]c1ccc(-c2nc3ccccc3n2C)cc1)OC ZINC000421231681 499997814 /nfs/dbraw/zinc/99/78/14/499997814.db2.gz XLIPTROLUPRFTE-MRXNPFEDSA-N -1 3 373.478 3.407 20 0 FGADHM CC[C@@H](CS(=O)(=O)[N-]c1cccc(-c2ncc3n2CCCC3)c1)OC ZINC000421236583 499998810 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FGADHM CC(C)c1nc(S(=O)(=O)[N-]Cc2ccccc2C(F)(F)F)cn1C ZINC000416381388 500033429 /nfs/dbraw/zinc/03/34/29/500033429.db2.gz GUOSZOYHNRKVBO-UHFFFAOYSA-N -1 3 361.389 3.041 20 0 FGADHM Cc1cccc(C(=O)N[C@@H](C)C(=O)N2CC[C@H](C)c3cccc([O-])c32)c1 ZINC000413711790 500034432 /nfs/dbraw/zinc/03/44/32/500034432.db2.gz KMDHXZJZFDNJFA-GJZGRUSLSA-N -1 3 352.434 3.359 20 0 FGADHM COC(=O)c1c(Cl)cccc1S(=O)(=O)[N-]C1CCC2(CC2)CC1 ZINC000416472022 500048983 /nfs/dbraw/zinc/04/89/83/500048983.db2.gz RTGCJHBQFFJBPO-UHFFFAOYSA-N -1 3 357.859 3.128 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)C(C)(C)CO)c(F)c1 ZINC000429320648 500051156 /nfs/dbraw/zinc/05/11/56/500051156.db2.gz YLHIJIJVASBDHM-QGZVFWFLSA-N -1 3 351.443 3.172 20 0 FGADHM CC1(C)C[C@H](C[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)CCO1 ZINC000416503345 500053857 /nfs/dbraw/zinc/05/38/57/500053857.db2.gz PNMNHHXRNWVVHQ-SNVBAGLBSA-N -1 3 352.283 3.477 20 0 FGADHM O=S(=O)([N-][C@H](c1ccccc1)C1(CO)CCCC1)c1cccs1 ZINC000416507543 500053916 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20 0 FGADHM CN1CCC[C@@H](CC[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)C1 ZINC000416551991 500061871 /nfs/dbraw/zinc/06/18/71/500061871.db2.gz HFACORJRAWTBBS-JTQLQIEISA-N -1 3 369.289 3.143 20 0 FGADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@]2(C)CC=CCC2)cc1Cl ZINC000416563144 500063597 /nfs/dbraw/zinc/06/35/97/500063597.db2.gz YEWCMAVJHRDVQV-OAHLLOKOSA-N -1 3 360.838 3.215 20 0 FGADHM CC(C)(C)c1ccncc1C[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000416597817 500070058 /nfs/dbraw/zinc/07/00/58/500070058.db2.gz SMQPMBWBILBXJW-UHFFFAOYSA-N -1 3 373.400 3.271 20 0 FGADHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2Br)CS1 ZINC000416598660 500070374 /nfs/dbraw/zinc/07/03/74/500070374.db2.gz UCYBSQJNFRVWDG-VXNVDRBHSA-N -1 3 370.721 3.275 20 0 FGADHM CO[C@](C)([C@H](C)[N-]S(=O)(=O)c1oc2ccc(F)cc2c1C)C1CC1 ZINC000416607561 500071814 /nfs/dbraw/zinc/07/18/14/500071814.db2.gz ZFZWNPJNFAGTHL-APPDUMDISA-N -1 3 355.431 3.362 20 0 FGADHM CC(=O)c1ccc(C(=O)N2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)cc1[O-] ZINC000425320161 500073817 /nfs/dbraw/zinc/07/38/17/500073817.db2.gz CBAIUVSIUFCGLY-SJLPKXTDSA-N -1 3 359.809 3.196 20 0 FGADHM C[C@@H]1CCCN(C(=O)c2c[n-]c3ccccc3c2=O)[C@H]1C(=O)OC(C)(C)C ZINC000425329094 500076307 /nfs/dbraw/zinc/07/63/07/500076307.db2.gz VACKRXQZABQQQK-CXAGYDPISA-N -1 3 370.449 3.111 20 0 FGADHM O=S(=O)([N-][C@H]1CCC[C@@H](CO)C1)c1cc(Cl)ccc1C(F)(F)F ZINC000416655280 500079223 /nfs/dbraw/zinc/07/92/23/500079223.db2.gz LUMRBQMFYWUWME-KOLCDFICSA-N -1 3 371.808 3.188 20 0 FGADHM O=C(N[C@@H]1CCO[C@@H](c2ccccn2)C1)c1ccc2c(c1[O-])CCCC2 ZINC000579442003 506175029 /nfs/dbraw/zinc/17/50/29/506175029.db2.gz NEFBYRSNXMYYME-DNVCBOLYSA-N -1 3 352.434 3.316 20 0 FGADHM CCOc1nc2ccc(C(=O)Nc3ccc(OC)cc3C(=O)OC)cc2[n-]1 ZINC000573342260 506176002 /nfs/dbraw/zinc/17/60/02/506176002.db2.gz DWDCFGTUIVDEDL-UHFFFAOYSA-N -1 3 369.377 3.009 20 0 FGADHM CCOc1nc2cc(C(=O)Nc3ccc(OC)cc3C(=O)OC)ccc2[n-]1 ZINC000573342260 506176006 /nfs/dbraw/zinc/17/60/06/506176006.db2.gz DWDCFGTUIVDEDL-UHFFFAOYSA-N -1 3 369.377 3.009 20 0 FGADHM Cc1nc(CCCNCc2ccnn2-c2ccc(F)cc2)sc1C(=O)[O-] ZINC000417550150 500105047 /nfs/dbraw/zinc/10/50/47/500105047.db2.gz URHJMGGYXIDLSP-UHFFFAOYSA-N -1 3 374.441 3.197 20 0 FGADHM O=C([O-])[C@@H](CCNCc1ccc(Br)cn1)Cc1ccccc1 ZINC000417554665 500107161 /nfs/dbraw/zinc/10/71/61/500107161.db2.gz CTWWJXSTBKSVSH-AWEZNQCLSA-N -1 3 363.255 3.267 20 0 FGADHM Cc1cccc(C[C@H](CNCc2ccc(Br)cn2)C(=O)[O-])c1 ZINC000417556284 500108157 /nfs/dbraw/zinc/10/81/57/500108157.db2.gz GJZWERHPUWLCBG-CQSZACIVSA-N -1 3 363.255 3.186 20 0 FGADHM COc1cc(CN[C@H](C(=O)[O-])c2ccc(Cl)c(C)c2)cc2c1OCO2 ZINC000417561376 500109821 /nfs/dbraw/zinc/10/98/21/500109821.db2.gz BCFUPYTWGUCYRX-INIZCTEOSA-N -1 3 363.797 3.301 20 0 FGADHM O=C([O-])C[C@H](NCc1ccn(C(F)F)n1)C12CC3CC(CC(C3)C1)C2 ZINC000417573898 500113540 /nfs/dbraw/zinc/11/35/40/500113540.db2.gz ICBZYKQSSZKBGA-ZJZJNUNYSA-N -1 3 353.413 3.428 20 0 FGADHM Cc1ccc([C@H]2CCCN2C(=O)N=c2cc(OC(F)F)n(C)[n-]2)cc1C ZINC000429624210 500113933 /nfs/dbraw/zinc/11/39/33/500113933.db2.gz BDUYJNALTUJMKB-CQSZACIVSA-N -1 3 364.396 3.429 20 0 FGADHM CC[C@H](NC(=O)N=c1cc(OC(F)F)n(C)[n-]1)c1cccc(Cl)c1 ZINC000429633991 500115251 /nfs/dbraw/zinc/11/52/51/500115251.db2.gz HZCXIVRCPNDWBA-NSHDSACASA-N -1 3 358.776 3.370 20 0 FGADHM Cc1cccc(CN(CC(C)C)C(=O)N=c2cc(OC(F)F)n(C)[n-]2)c1 ZINC000429634000 500115347 /nfs/dbraw/zinc/11/53/47/500115347.db2.gz IBXYYYKZOJUTBH-UHFFFAOYSA-N -1 3 366.412 3.442 20 0 FGADHM COc1ccc(CN[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)c(Br)c1 ZINC000417579779 500115716 /nfs/dbraw/zinc/11/57/16/500115716.db2.gz BJUBSYPINIYFOS-YGRLFVJLSA-N -1 3 374.275 3.204 20 0 FGADHM Cn1[n-]c(=NC(=O)NCC(C)(C)c2cccc(Cl)c2)cc1OC(F)F ZINC000429634358 500115940 /nfs/dbraw/zinc/11/59/40/500115940.db2.gz KWMULWOKZBTEBB-UHFFFAOYSA-N -1 3 372.803 3.196 20 0 FGADHM CCN(Cc1cccc(Cl)c1)C(=O)N=c1cc(OC(F)F)n(C)[n-]1 ZINC000429636490 500116337 /nfs/dbraw/zinc/11/63/37/500116337.db2.gz PGYRBDBCUGICDJ-UHFFFAOYSA-N -1 3 358.776 3.151 20 0 FGADHM COc1ccc([C@@H](CCC(=O)[O-])NCc2ccc([S@@](C)=O)cc2)cc1 ZINC000417585271 500117946 /nfs/dbraw/zinc/11/79/46/500117946.db2.gz ZFFAFTMVGCSBSY-IQGLISFBSA-N -1 3 361.463 3.128 20 0 FGADHM Cc1cccc(C2(NC(=O)N=c3cc(OC(F)F)n(C)[n-]3)CCCC2)c1 ZINC000429652096 500118358 /nfs/dbraw/zinc/11/83/58/500118358.db2.gz JLPTUENHNZNOEC-UHFFFAOYSA-N -1 3 364.396 3.343 20 0 FGADHM COc1cc(CN[C@H](CC(=O)[O-])c2cccc(Cl)c2)cc2c1OCO2 ZINC000417592691 500119370 /nfs/dbraw/zinc/11/93/70/500119370.db2.gz YUSYBGZOVCNEMO-CQSZACIVSA-N -1 3 363.797 3.383 20 0 FGADHM CC(C)(C)OC[C@H](NCc1ccc(OCc2ccncc2)cc1)C(=O)[O-] ZINC000417599878 500122083 /nfs/dbraw/zinc/12/20/83/500122083.db2.gz PVBAXVDLPJENEO-SFHVURJKSA-N -1 3 358.438 3.019 20 0 FGADHM CC(C)=CCSC[C@@H](NCc1cccc2c1OCCCO2)C(=O)[O-] ZINC000417604142 500122420 /nfs/dbraw/zinc/12/24/20/500122420.db2.gz AXAOVKGIVFKINA-OAHLLOKOSA-N -1 3 351.468 3.090 20 0 FGADHM Cc1cc(CN[C@H](CSCc2cccc3ccccc32)C(=O)[O-])n(C)n1 ZINC000417617716 500126895 /nfs/dbraw/zinc/12/68/95/500126895.db2.gz FYQOBIVOBGLNGG-LJQANCHMSA-N -1 3 369.490 3.358 20 0 FGADHM COc1cccc(CN[C@@H](CCSc2ccccc2)C(=O)[O-])c1OC ZINC000417622403 500127664 /nfs/dbraw/zinc/12/76/64/500127664.db2.gz OBFUOURJZSALQX-INIZCTEOSA-N -1 3 361.463 3.429 20 0 FGADHM O=C([O-])C[C@H](CNCc1ccccc1OCC(F)(F)F)C(F)(F)F ZINC000417623633 500128596 /nfs/dbraw/zinc/12/85/96/500128596.db2.gz KAMKISUTCCKYDM-SNVBAGLBSA-N -1 3 359.266 3.371 20 0 FGADHM CCc1ccc(-c2ccc(CNC[C@H](Cc3cnn(C)c3)C(=O)[O-])o2)cc1 ZINC000417627204 500129074 /nfs/dbraw/zinc/12/90/74/500129074.db2.gz OAYXCLDJPXPUPA-SFHVURJKSA-N -1 3 367.449 3.276 20 0 FGADHM CCCOc1ccc(Br)cc1CN[C@H]1C=C[C@@H](C(=O)[O-])C1 ZINC000417626517 500129397 /nfs/dbraw/zinc/12/93/97/500129397.db2.gz SYOJXOCZIQAKBP-RISCZKNCSA-N -1 3 354.244 3.357 20 0 FGADHM O=C([O-])C[C@H](CNCc1ccc(F)cc1Br)C(F)(F)F ZINC000417626809 500129560 /nfs/dbraw/zinc/12/95/60/500129560.db2.gz NREVSKIVLRIYRT-MRVPVSSYSA-N -1 3 358.129 3.331 20 0 FGADHM CC(C)(C)OC(=O)CC[C@@H](NCc1cccc(Br)c1)C(=O)[O-] ZINC000417632522 500131045 /nfs/dbraw/zinc/13/10/45/500131045.db2.gz YWQOLMIYHMHFEU-CYBMUJFWSA-N -1 3 372.259 3.114 20 0 FGADHM Cn1c(CN[C@H](CCSc2ccccc2)C(=O)[O-])nc2ccccc21 ZINC000417631438 500131440 /nfs/dbraw/zinc/13/14/40/500131440.db2.gz YVRADETZZMXUCD-MRXNPFEDSA-N -1 3 355.463 3.299 20 0 FGADHM COc1cccc(CNC[C@H](Oc2ccccc2)C(=O)[O-])c1OC(C)C ZINC000417637754 500132529 /nfs/dbraw/zinc/13/25/29/500132529.db2.gz ILKWHBZFINKZSK-SFHVURJKSA-N -1 3 359.422 3.104 20 0 FGADHM CCOC[C@@H](NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)[O-] ZINC000417658062 500140672 /nfs/dbraw/zinc/14/06/72/500140672.db2.gz MSOHQWRDHWTWBS-LLVKDONJSA-N -1 3 359.266 3.304 20 0 FGADHM Cc1c(F)c(F)ccc1NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000414058204 500140864 /nfs/dbraw/zinc/14/08/64/500140864.db2.gz SZBROPAJQOXVQA-HNNXBMFYSA-N -1 3 360.360 3.222 20 0 FGADHM O=S(=O)([N-]C[C@H](CO)Cc1ccccc1)c1ccc(Cl)cc1Cl ZINC000429818957 500150753 /nfs/dbraw/zinc/15/07/53/500150753.db2.gz SGKRQKZTMCLJTD-CYBMUJFWSA-N -1 3 374.289 3.123 20 0 FGADHM CC(C)(C)OC(=O)CC[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000429831695 500152651 /nfs/dbraw/zinc/15/26/51/500152651.db2.gz ZSTIYAAMEFLCOC-UHFFFAOYSA-N -1 3 354.255 3.004 20 0 FGADHM CN(C[C@@H]1CCCOC1)[C@H](C(=O)[O-])c1ccc(Br)cc1F ZINC000573379564 506184055 /nfs/dbraw/zinc/18/40/55/506184055.db2.gz MLCULXJRXVJZBV-HZMBPMFUSA-N -1 3 360.223 3.072 20 0 FGADHM O=S(=O)([N-][C@@H]1C[C@H]1c1ccccc1)c1cc(F)ccc1Br ZINC000429999447 500179439 /nfs/dbraw/zinc/17/94/39/500179439.db2.gz BXTIYQYHGWJBIP-GXTWGEPZSA-N -1 3 370.243 3.423 20 0 FGADHM CC[C@H](C)[C@H](NC(=O)C(=O)[N-]c1cnns1)c1ccc(Cl)cc1 ZINC000430040665 500184151 /nfs/dbraw/zinc/18/41/51/500184151.db2.gz RHALFKLUWFDPLZ-ZANVPECISA-N -1 3 352.847 3.034 20 0 FGADHM CC(C)(CO)[C@H]([N-]S(=O)(=O)c1cc(F)cc(F)c1)c1cccs1 ZINC000573367454 506181187 /nfs/dbraw/zinc/18/11/87/506181187.db2.gz AHUWRGRYGIMVEA-CQSZACIVSA-N -1 3 361.435 3.064 20 0 FGADHM COC(=O)Cc1ccc(NC(=O)CCCc2ccc([O-])c(F)c2)cc1F ZINC000422004638 500195765 /nfs/dbraw/zinc/19/57/65/500195765.db2.gz HFXVMHRNJVDVTB-UHFFFAOYSA-N -1 3 363.360 3.347 20 0 FGADHM COCC1(C[N-]S(=O)(=O)c2cc(OC)ccc2Cl)CCCCC1 ZINC000573370069 506182014 /nfs/dbraw/zinc/18/20/14/506182014.db2.gz SCNZFSMLZRQDSC-UHFFFAOYSA-N -1 3 361.891 3.224 20 0 FGADHM O=C(CCCc1ccccc1)N=c1cc2ccc(Br)cn2[n-]1 ZINC000430162720 500202592 /nfs/dbraw/zinc/20/25/92/500202592.db2.gz JYCPNTOFQJADNO-UHFFFAOYSA-N -1 3 358.239 3.480 20 0 FGADHM COC(=O)[C@@H](CNC(=O)c1csc(Cl)c1)Cc1ccc([O-])c(F)c1 ZINC000422039130 500203958 /nfs/dbraw/zinc/20/39/58/500203958.db2.gz MCNNDDGFXQPCGT-SNVBAGLBSA-N -1 3 371.817 3.008 20 0 FGADHM CCOC(=O)c1ccc(NC(=O)[C@@](C)(OC)c2ccccc2F)c([O-])c1 ZINC000430284820 500221831 /nfs/dbraw/zinc/22/18/31/500221831.db2.gz PHXJIZROYNMWEL-IBGZPJMESA-N -1 3 361.369 3.208 20 0 FGADHM CNC(=O)c1ccc([N-]S(=O)(=O)c2c(C)cc(F)cc2C)c(Cl)c1 ZINC000430385313 500233688 /nfs/dbraw/zinc/23/36/88/500233688.db2.gz NDIWAHDAXANGBV-UHFFFAOYSA-N -1 3 370.833 3.256 20 0 FGADHM O=C(NC[C@@H]1CCCO1)c1c[n-]c2ccc(Oc3ccccc3)cc2c1=O ZINC000430404084 500235531 /nfs/dbraw/zinc/23/55/31/500235531.db2.gz POONPYVPBLUHNX-INIZCTEOSA-N -1 3 364.401 3.229 20 0 FGADHM Cc1cc(C(=O)NC[C@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)ccc1[O-] ZINC000430469547 500244125 /nfs/dbraw/zinc/24/41/25/500244125.db2.gz PTQSKIWDQBKWCE-PZJWPPBQSA-N -1 3 357.425 3.343 20 0 FGADHM COC(=O)c1ccc(-c2nc(-c3cccnc3OC3CCCC3)no2)[n-]1 ZINC000426402837 500269837 /nfs/dbraw/zinc/26/98/37/500269837.db2.gz UBFWNOAVCXONRO-UHFFFAOYSA-N -1 3 354.366 3.235 20 0 FGADHM COC(=O)c1ccc(-c2nc(-c3ccc(NC(=O)NC(C)C)cc3)no2)[n-]1 ZINC000426460745 500275055 /nfs/dbraw/zinc/27/50/55/500275055.db2.gz QEIIDIZRFLHSGQ-UHFFFAOYSA-N -1 3 369.381 3.048 20 0 FGADHM C[C@@H](CN(C)CC(=O)N[C@H](CC(C)(C)C)c1ccc(F)cc1)C(=O)[O-] ZINC000422593438 500279921 /nfs/dbraw/zinc/27/99/21/500279921.db2.gz QDNSXBSWLZSNNC-XJKSGUPXSA-N -1 3 352.450 3.072 20 0 FGADHM COc1ccc(CNC[C@H](Cc2ccccc2OC)C(=O)[O-])c(Cl)c1 ZINC000426626948 500296741 /nfs/dbraw/zinc/29/67/41/500296741.db2.gz BWBQGIRSDYDDSS-HNNXBMFYSA-N -1 3 363.841 3.390 20 0 FGADHM COc1cc2c(c(CNC[C@H](Cc3ccccc3C)C(=O)[O-])c1)O[C@H](C)C2 ZINC000426631452 500297535 /nfs/dbraw/zinc/29/75/35/500297535.db2.gz OKWYXVCKUDBEKX-BEFAXECRSA-N -1 3 369.461 3.360 20 0 FGADHM Cc1c2ccccc2oc1[C@@H](C)NC(=O)CNC(=O)c1cccc([O-])c1 ZINC000426640053 500298961 /nfs/dbraw/zinc/29/89/61/500298961.db2.gz QAZGJXJDJGKANL-CYBMUJFWSA-N -1 3 352.390 3.054 20 0 FGADHM CCN(C(=O)c1ncc(C)cc1[O-])[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000426640774 500299306 /nfs/dbraw/zinc/29/93/06/500299306.db2.gz VANXVMZKEKHOMV-SJLPKXTDSA-N -1 3 353.466 3.393 20 0 FGADHM O=C(CNC(=O)c1cccc([O-])c1)N(Cc1ccccc1)c1ccccc1 ZINC000426648876 500300913 /nfs/dbraw/zinc/30/09/13/500300913.db2.gz UHBUYDUNVXMXLX-UHFFFAOYSA-N -1 3 360.413 3.355 20 0 FGADHM CCOC(=O)[C@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1ccccc1 ZINC000426686324 500306374 /nfs/dbraw/zinc/30/63/74/500306374.db2.gz MJGUNOIVYZXQJW-LJQANCHMSA-N -1 3 359.397 3.275 20 0 FGADHM Cc1nc(C)c(CN[C@@H](CSCCOc2ccccc2)C(=O)[O-])s1 ZINC000426723002 500310890 /nfs/dbraw/zinc/31/08/90/500310890.db2.gz JXJXDQYLGGPGNN-HNNXBMFYSA-N -1 3 366.508 3.115 20 0 FGADHM C[C@@]1(C(=O)[O-])CCCC[C@@H]1NCc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000426726455 500311591 /nfs/dbraw/zinc/31/15/91/500311591.db2.gz JSOLRWSPGNUKAQ-DOTOQJQBSA-N -1 3 366.824 3.183 20 0 FGADHM COc1ccc([C@H](CCC(=O)[O-])NCc2ccc(OC)cc2OC)cc1 ZINC000426725388 500311909 /nfs/dbraw/zinc/31/19/09/500311909.db2.gz BQGVUCOBPGTIOE-SFHVURJKSA-N -1 3 359.422 3.408 20 0 FGADHM O=C([O-])[C@H](CN1CCCc2ccccc21)NCc1cc(F)cc(Cl)c1 ZINC000426738794 500313400 /nfs/dbraw/zinc/31/34/00/500313400.db2.gz YYIDEPRCBYGGST-KRWDZBQOSA-N -1 3 362.832 3.475 20 0 FGADHM CC(C)(C)CC[C@H](NCc1cn(-c2ccc(F)cc2Cl)nn1)C(=O)[O-] ZINC000426747229 500314480 /nfs/dbraw/zinc/31/44/80/500314480.db2.gz NUYGXAVPRQLOIR-AWEZNQCLSA-N -1 3 368.840 3.429 20 0 FGADHM COc1ccc(CN[C@@H](Cc2c(F)cccc2Cl)C(=O)[O-])cc1F ZINC000426750362 500315320 /nfs/dbraw/zinc/31/53/20/500315320.db2.gz MVIVLONZLUVLCR-HNNXBMFYSA-N -1 3 355.768 3.412 20 0 FGADHM O=C([O-])[C@H](NCc1ccc(OCC(F)(F)F)cc1)c1ccc(O)cc1 ZINC000426770536 500318423 /nfs/dbraw/zinc/31/84/23/500318423.db2.gz SUVRYKFZISOERL-OAHLLOKOSA-N -1 3 355.312 3.249 20 0 FGADHM O=C([O-])[C@@H](NCc1ccc(Oc2cnccn2)cc1)c1ccc(F)cc1 ZINC000426775918 500318890 /nfs/dbraw/zinc/31/88/90/500318890.db2.gz VOUYBUWOGNHMSP-SFHVURJKSA-N -1 3 353.353 3.324 20 0 FGADHM CCCSC[C@@H](NCc1cc(Br)cc2c1OCC2)C(=O)[O-] ZINC000426779783 500319511 /nfs/dbraw/zinc/31/95/11/500319511.db2.gz LHHDHANOKHPYJW-CYBMUJFWSA-N -1 3 374.300 3.070 20 0 FGADHM CCOc1cc(CN[C@@H](Cc2ccco2)C(=O)[O-])cc(Cl)c1OC ZINC000426819746 500324763 /nfs/dbraw/zinc/32/47/63/500324763.db2.gz ZNQGZFGZDDWFJX-AWEZNQCLSA-N -1 3 353.802 3.126 20 0 FGADHM C[C@H](CC(=O)c1ccccc1)[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000431074647 500331870 /nfs/dbraw/zinc/33/18/70/500331870.db2.gz WSSVXLGAGLOQSL-LLVKDONJSA-N -1 3 355.818 3.419 20 0 FGADHM COc1ccccc1[C@@H](NC(=O)c1cc(F)cc2nn[n-]c21)c1ccco1 ZINC000426965791 500340081 /nfs/dbraw/zinc/34/00/81/500340081.db2.gz RJJQMWZATPMVDA-GOSISDBHSA-N -1 3 366.352 3.218 20 0 FGADHM COc1ccccc1[C@@H](NC(=O)c1cc(F)cc2[n-]nnc21)c1ccco1 ZINC000426965791 500340083 /nfs/dbraw/zinc/34/00/83/500340083.db2.gz RJJQMWZATPMVDA-GOSISDBHSA-N -1 3 366.352 3.218 20 0 FGADHM COc1ccccc1[C@@H](NC(=O)c1cc(F)cc2n[n-]nc21)c1ccco1 ZINC000426965791 500340086 /nfs/dbraw/zinc/34/00/86/500340086.db2.gz RJJQMWZATPMVDA-GOSISDBHSA-N -1 3 366.352 3.218 20 0 FGADHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(F)c(NC(N)=O)c2)c(C)c1 ZINC000431168089 500344295 /nfs/dbraw/zinc/34/42/95/500344295.db2.gz GXUPJGSSTVKRHB-UHFFFAOYSA-N -1 3 351.403 3.042 20 0 FGADHM COC(=O)c1cc(C)c(C)c(S(=O)(=O)[N-]c2cc(F)cc(F)c2F)c1 ZINC000431181397 500346686 /nfs/dbraw/zinc/34/66/86/500346686.db2.gz SGKFEAYUMMVTSX-UHFFFAOYSA-N -1 3 373.352 3.308 20 0 FGADHM CC1(C)CCc2ccccc2[C@@H](NC(=O)CNC(=O)c2ccc([O-])cc2)C1 ZINC000576575758 506190665 /nfs/dbraw/zinc/19/06/65/506190665.db2.gz FYXCPULXNOLXRD-IBGZPJMESA-N -1 3 366.461 3.342 20 0 FGADHM Cc1cccc([C@@H](NC(=O)CNC(=O)c2cccc([O-])c2)C(C)(C)C)c1 ZINC000427146035 500359352 /nfs/dbraw/zinc/35/93/52/500359352.db2.gz CRCFJBLRDNRJLF-LJQANCHMSA-N -1 3 354.450 3.334 20 0 FGADHM Cc1nc(-c2ccc(C)cc2)c(CC(=O)Nc2c(C)[nH]c(=O)[n-]c2=O)s1 ZINC000427149406 500359429 /nfs/dbraw/zinc/35/94/29/500359429.db2.gz GKZDQJGZTWEAJT-UHFFFAOYSA-N -1 3 370.434 3.118 20 0 FGADHM COC1CCC(C[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)CC1 ZINC000427277546 500377041 /nfs/dbraw/zinc/37/70/41/500377041.db2.gz SABJDBFYFFSDQZ-UHFFFAOYSA-N -1 3 369.380 3.328 20 0 FGADHM COc1cccc(NC(=O)CCSCc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000419592293 500382842 /nfs/dbraw/zinc/38/28/42/500382842.db2.gz VTLDXWOXDITYQG-UHFFFAOYSA-N -1 3 359.451 3.330 20 0 FGADHM C[C@H](SCc1cc(=O)[n-]c(C2CC2)n1)C(=O)NCCc1cccs1 ZINC000419610967 500384263 /nfs/dbraw/zinc/38/42/63/500384263.db2.gz YUDALMGICNWGFC-NSHDSACASA-N -1 3 363.508 3.102 20 0 FGADHM CN(CC(F)(F)F)C(=O)CSCc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000419609205 500384371 /nfs/dbraw/zinc/38/43/71/500384371.db2.gz WNONNWXPPGEZOJ-UHFFFAOYSA-N -1 3 371.384 3.103 20 0 FGADHM CN(C)[C@H](CC(=O)N(C)Cc1nc(=O)c2sccc2[n-]1)c1ccccc1 ZINC000431508048 500385909 /nfs/dbraw/zinc/38/59/09/500385909.db2.gz PUAAWHRRUAMEMI-OAHLLOKOSA-N -1 3 370.478 3.048 20 0 FGADHM COC(=O)c1cc(C(=O)Nc2ccc3nc(N4CCCC4)sc3c2)c[n-]1 ZINC000431670703 500406270 /nfs/dbraw/zinc/40/62/70/500406270.db2.gz AMUBNKQWTXXPAK-UHFFFAOYSA-N -1 3 370.434 3.264 20 0 FGADHM Cn1cccc1[C@H]1CCCN1C(=O)Cc1ccc(Br)cc1[O-] ZINC000431677740 500407206 /nfs/dbraw/zinc/40/72/06/500407206.db2.gz FJUMZVPTODQYMG-OAHLLOKOSA-N -1 3 363.255 3.399 20 0 FGADHM Cc1cnn(-c2c(C(=O)Nc3cc(Cl)cc(C)c3[O-])c(C)nn2C)c1 ZINC000427641291 500414909 /nfs/dbraw/zinc/41/49/09/500414909.db2.gz GAGPFIJTTJTEBJ-UHFFFAOYSA-N -1 3 359.817 3.142 20 0 FGADHM CCOC(=O)c1ccc(NC(=O)[C@@H]2CCc3ccc(OC)cc32)c([O-])c1 ZINC000431878159 500437872 /nfs/dbraw/zinc/43/78/72/500437872.db2.gz PJBJUCLBJTZXDC-OAHLLOKOSA-N -1 3 355.390 3.246 20 0 FGADHM COc1ccc2c(c1)[C@H](C(=O)N=c1cc(-c3cc(F)cc(F)c3)[n-][nH]1)CC2 ZINC000431892527 500439738 /nfs/dbraw/zinc/43/97/38/500439738.db2.gz VCCSKQKONUZYED-MRXNPFEDSA-N -1 3 369.371 3.454 20 0 FGADHM CCOc1nc2cc(C(=O)NCC(C)(C)c3ncccc3C)ccc2[n-]1 ZINC000427920204 500445209 /nfs/dbraw/zinc/44/52/09/500445209.db2.gz AORQMISZNFURCT-UHFFFAOYSA-N -1 3 352.438 3.373 20 0 FGADHM CCOc1nc2ccc(C(=O)NCC(C)(C)c3ncccc3C)cc2[n-]1 ZINC000427920204 500445212 /nfs/dbraw/zinc/44/52/12/500445212.db2.gz AORQMISZNFURCT-UHFFFAOYSA-N -1 3 352.438 3.373 20 0 FGADHM O=C([O-])CC[C@H]1CCCCN1CC(=O)NCC1(c2ccccc2)CCCC1 ZINC000424262177 500477599 /nfs/dbraw/zinc/47/75/99/500477599.db2.gz QEFAWRFUGWEHBX-LJQANCHMSA-N -1 3 372.509 3.334 20 0 FGADHM C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)CN1CCCC[C@H]1CCC(=O)[O-] ZINC000424266179 500478271 /nfs/dbraw/zinc/47/82/71/500478271.db2.gz WOLOMRSALMPRAX-ZFWWWQNUSA-N -1 3 368.424 3.204 20 0 FGADHM CC1CCC(N(C(=O)CN2CCCC[C@H]2CCC(=O)[O-])C2CC2)CC1 ZINC000424268192 500478341 /nfs/dbraw/zinc/47/83/41/500478341.db2.gz ZMDMWNXQQWBYDT-CGZBRXJRSA-N -1 3 350.503 3.275 20 0 FGADHM CC1CCC(N(C(=O)CN2CCCC[C@@H]2CCC(=O)[O-])C2CC2)CC1 ZINC000424268191 500478408 /nfs/dbraw/zinc/47/84/08/500478408.db2.gz ZMDMWNXQQWBYDT-AQFXKWCLSA-N -1 3 350.503 3.275 20 0 FGADHM Cc1cccc(OCCCNC(=O)c2cc(=O)c3ccccc3[n-]2)c1C ZINC000428201875 500480564 /nfs/dbraw/zinc/48/05/64/500480564.db2.gz SJFBXWGEQQGJAT-UHFFFAOYSA-N -1 3 350.418 3.344 20 0 FGADHM CSCCCC[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000420682125 500487668 /nfs/dbraw/zinc/48/76/68/500487668.db2.gz UFXXRFNFCVHBBZ-UHFFFAOYSA-N -1 3 359.847 3.363 20 0 FGADHM Cc1cc(C[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)cc(C)n1 ZINC000420705285 500490204 /nfs/dbraw/zinc/49/02/04/500490204.db2.gz YHEKGGDVVMJUFB-UHFFFAOYSA-N -1 3 362.348 3.335 20 0 FGADHM CC(C)[C@H](C(=O)[O-])[C@@H](C)NCc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000424619378 500529145 /nfs/dbraw/zinc/52/91/45/500529145.db2.gz LLAHHHCXPLIBRS-BZNIZROVSA-N -1 3 362.451 3.374 20 0 FGADHM CC(C)C1CCC(N(C)C(=O)c2ccc([N-]S(C)(=O)=O)cc2)CC1 ZINC000432551620 500531320 /nfs/dbraw/zinc/53/13/20/500531320.db2.gz HHJXLINDHUGXRT-UHFFFAOYSA-N -1 3 352.500 3.345 20 0 FGADHM COC(=O)[C@H](CNC(=O)Nc1cc(C)ccc1C)Cc1ccc([O-])c(F)c1 ZINC000421032874 500560510 /nfs/dbraw/zinc/56/05/10/500560510.db2.gz MIMWAIXSAZHIMC-HNNXBMFYSA-N -1 3 374.412 3.302 20 0 FGADHM COC(=O)c1cc(C(=O)Nc2ccc3oc(C(F)(F)F)nc3c2)c[n-]1 ZINC000432779481 500562256 /nfs/dbraw/zinc/56/22/56/500562256.db2.gz KNOHPAJZFKQBTE-UHFFFAOYSA-N -1 3 353.256 3.214 20 0 FGADHM CCc1cc(NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)ccc1F ZINC000436928083 500572313 /nfs/dbraw/zinc/57/23/13/500572313.db2.gz PWACIKDCWUYKTH-UHFFFAOYSA-N -1 3 371.412 3.084 20 0 FGADHM CCOC(=O)[C@@H](Cc1ccccc1)N(C(=O)c1ccc([O-])c(C)c1)C1CC1 ZINC000436931354 500573351 /nfs/dbraw/zinc/57/33/51/500573351.db2.gz BIOBSQOZLBGNAO-LJQANCHMSA-N -1 3 367.445 3.480 20 0 FGADHM 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COc1cc(C(=O)NCc2ccccc2N(C)C(C)C)cc(OC)c1[O-] ZINC000438462521 500788445 /nfs/dbraw/zinc/78/84/45/500788445.db2.gz QMPIGNNGEUDDRQ-UHFFFAOYSA-N -1 3 358.438 3.184 20 0 FGADHM COC(=O)c1nscc1S(=O)(=O)[N-][C@H]1CCC[C@@H](C(C)(C)C)CC1 ZINC000444212712 500818321 /nfs/dbraw/zinc/81/83/21/500818321.db2.gz ALSVMTJYPOBJBL-NEPJUHHUSA-N -1 3 374.528 3.203 20 0 FGADHM COC(=O)c1cc(C(=O)[N-]c2nc(-c3ccc4c(c3)CCC4)cs2)no1 ZINC000438788012 500820116 /nfs/dbraw/zinc/82/01/16/500820116.db2.gz UGXWBFIDBJAXHS-UHFFFAOYSA-N -1 3 369.402 3.326 20 0 FGADHM O=C(Cc1ccc([O-])c(F)c1)Nc1ccc(C(=O)NC2CCCC2)cc1 ZINC000448743949 500821306 /nfs/dbraw/zinc/82/13/06/500821306.db2.gz LINOIJSAEWTITR-UHFFFAOYSA-N -1 3 356.397 3.385 20 0 FGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@@]2(C)CC=CCC2)cc1OC ZINC000448746477 500821979 /nfs/dbraw/zinc/82/19/79/500821979.db2.gz BWOCBRWZYHCCDK-KRWDZBQOSA-N -1 3 352.456 3.142 20 0 FGADHM Cc1ccc2c(CC[N-]S(=O)(=O)c3cncc(Cl)c3)cn(C)c2c1 ZINC000444274442 500827731 /nfs/dbraw/zinc/82/77/31/500827731.db2.gz BKWZIICVOYMYTN-UHFFFAOYSA-N -1 3 363.870 3.056 20 0 FGADHM CC(C)[C@H](O)C1(CNC(=O)c2ccc(C(=O)c3cccc([O-])c3)cc2)CC1 ZINC000444283662 500828997 /nfs/dbraw/zinc/82/89/97/500828997.db2.gz CJRBAZUCBXQIMQ-FQEVSTJZSA-N -1 3 367.445 3.150 20 0 FGADHM Cc1nc(C)c(S(=O)(=O)[N-]CCc2cn(C)c3cc(C)ccc23)s1 ZINC000444287652 500829354 /nfs/dbraw/zinc/82/93/54/500829354.db2.gz PDRKVKJOAJSZKF-UHFFFAOYSA-N -1 3 363.508 3.081 20 0 FGADHM COC(=O)c1nscc1S(=O)(=O)[N-]C(C)(C)CC1CCCCCC1 ZINC000444293454 500830496 /nfs/dbraw/zinc/83/04/96/500830496.db2.gz YUDGIXCFZYEYIU-UHFFFAOYSA-N -1 3 374.528 3.347 20 0 FGADHM COCc1nc(S[C@@H](C(=O)OC)c2cc(Cl)cc(Cl)c2)n[n-]1 ZINC000438885118 500830544 /nfs/dbraw/zinc/83/05/44/500830544.db2.gz INVYSSJTUZRDHB-LLVKDONJSA-N -1 3 362.238 3.264 20 0 FGADHM C[C@]1(NC(=O)c2ccc(C(=O)c3cccc([O-])c3)cc2)CCO[C@@H]1C1CC1 ZINC000444298108 500831140 /nfs/dbraw/zinc/83/11/40/500831140.db2.gz VRMDINLGIFYSGJ-IRLDBZIGSA-N -1 3 365.429 3.311 20 0 FGADHM Cc1c(Br)cc(C(=O)Nc2ccc(Cl)cc2[O-])c(=O)n1C ZINC000434373562 500834320 /nfs/dbraw/zinc/83/43/20/500834320.db2.gz OMMHSXPPJLWVDU-UHFFFAOYSA-N -1 3 371.618 3.068 20 0 FGADHM CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000439017329 500847602 /nfs/dbraw/zinc/84/76/02/500847602.db2.gz AYWKGHXJNJOHDH-UHFFFAOYSA-N -1 3 357.801 3.316 20 0 FGADHM CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000439017329 500847604 /nfs/dbraw/zinc/84/76/04/500847604.db2.gz AYWKGHXJNJOHDH-UHFFFAOYSA-N -1 3 357.801 3.316 20 0 FGADHM CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000439017329 500847606 /nfs/dbraw/zinc/84/76/06/500847606.db2.gz AYWKGHXJNJOHDH-UHFFFAOYSA-N -1 3 357.801 3.316 20 0 FGADHM Cc1c(NC(=O)Cc2ccc([O-])c(F)c2)cccc1C(=O)N1CCCC1 ZINC000448841210 500849261 /nfs/dbraw/zinc/84/92/61/500849261.db2.gz RBBJYPDJDAVTHE-UHFFFAOYSA-N -1 3 356.397 3.257 20 0 FGADHM Cc1nc(C)c(CC(=O)N[C@@H](C)c2ccc(Br)s2)c(=O)[n-]1 ZINC000444536567 500856671 /nfs/dbraw/zinc/85/66/71/500856671.db2.gz QVHDLNHDUFRRHM-QMMMGPOBSA-N -1 3 370.272 3.043 20 0 FGADHM CCCOc1cccc(CCNC(=O)c2cc(=O)c3ccccc3[n-]2)c1 ZINC000434555364 500860089 /nfs/dbraw/zinc/86/00/89/500860089.db2.gz UQDGCDPEDYNMFW-UHFFFAOYSA-N -1 3 350.418 3.289 20 0 FGADHM Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000444611881 500867130 /nfs/dbraw/zinc/86/71/30/500867130.db2.gz SEBLCGVCACQEMJ-HNNXBMFYSA-N -1 3 367.371 3.460 20 0 FGADHM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)c2c(C)cc(C)cc2OC)o1 ZINC000434738511 500885331 /nfs/dbraw/zinc/88/53/31/500885331.db2.gz OELFQJDVFMUMNY-OAHLLOKOSA-N -1 3 367.467 3.133 20 0 FGADHM CCOC(=O)c1sc2[n-]c([C@@H](C)S[C@H](C)C(C)=O)nc(=O)c2c1C ZINC000434839177 500900204 /nfs/dbraw/zinc/90/02/04/500900204.db2.gz NSGBXRCIWZAHEI-NXEZZACHSA-N -1 3 368.480 3.241 20 0 FGADHM O=C(N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1)[C@@H]1CCC[C@@H](O)C1 ZINC000439499598 500906890 /nfs/dbraw/zinc/90/68/90/500906890.db2.gz OZPDIJJFPNIECX-NOZJJQNGSA-N -1 3 354.237 3.295 20 0 FGADHM CCN=c1[n-]c(C(=O)N2C[C@@H](c3cccc(Cl)c3)OC[C@H]2C)cs1 ZINC000444846580 500910748 /nfs/dbraw/zinc/91/07/48/500910748.db2.gz JPVOTRFMDPMFFW-ABAIWWIYSA-N -1 3 365.886 3.252 20 0 FGADHM O=S(=O)([N-]Cc1cccs1)c1cc(F)ccc1Br ZINC000434959135 500916125 /nfs/dbraw/zinc/91/61/25/500916125.db2.gz RYKGHEOINYWXMJ-UHFFFAOYSA-N -1 3 350.234 3.128 20 0 FGADHM CCO[C@H](C[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)c1ccccc1 ZINC000444998596 500930816 /nfs/dbraw/zinc/93/08/16/500930816.db2.gz NQSCSGKNEXIDLH-OAHLLOKOSA-N -1 3 359.369 3.160 20 0 FGADHM O=C(Cc1noc(Cc2ccc([O-])cc2Cl)n1)Nc1ccccc1F ZINC000445302788 500970369 /nfs/dbraw/zinc/97/03/69/500970369.db2.gz QFTLHKJNMVVXLJ-UHFFFAOYSA-N -1 3 361.760 3.340 20 0 FGADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000435432159 500974558 /nfs/dbraw/zinc/97/45/58/500974558.db2.gz LWSYMKCHBGDIOE-GXFFZTMASA-N -1 3 361.250 3.433 20 0 FGADHM Cc1ccc(F)c(-c2noc(-c3ccc(F)c([N-]S(C)(=O)=O)c3)n2)c1 ZINC000445441359 500986137 /nfs/dbraw/zinc/98/61/37/500986137.db2.gz GOHDIUSAZQLJGV-UHFFFAOYSA-N -1 3 365.361 3.362 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)c(F)c1 ZINC000435598608 500999142 /nfs/dbraw/zinc/99/91/42/500999142.db2.gz RXDKDZDKWUEXBX-IINYFYTJSA-N -1 3 359.344 3.386 20 0 FGADHM CCn1cc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)nc1C ZINC000435601615 500999973 /nfs/dbraw/zinc/99/99/73/500999973.db2.gz OTYORYDFJDJZRA-GXTWGEPZSA-N -1 3 374.293 3.353 20 0 FGADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)CCCCc1nc2ccccc2s1 ZINC000440364370 501000173 /nfs/dbraw/zinc/00/01/73/501000173.db2.gz DSJCROVFVSMBSA-UHFFFAOYSA-N -1 3 358.423 3.157 20 0 FGADHM Cn1cncc1-c1noc(-c2n[n-]c(-c3ccccc3)c2Br)n1 ZINC000445563835 501002281 /nfs/dbraw/zinc/00/22/81/501002281.db2.gz DJSCVSHAXAMOQL-UHFFFAOYSA-N -1 3 371.198 3.290 20 0 FGADHM Cn1cncc1-c1noc(-c2[n-]nc(-c3ccccc3)c2Br)n1 ZINC000445563835 501002285 /nfs/dbraw/zinc/00/22/85/501002285.db2.gz DJSCVSHAXAMOQL-UHFFFAOYSA-N -1 3 371.198 3.290 20 0 FGADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)c2ccc3c(c2)OCO3)c(F)cc1F ZINC000440383527 501002560 /nfs/dbraw/zinc/00/25/60/501002560.db2.gz PCKDFUCOJZJLRB-JTQLQIEISA-N -1 3 355.362 3.041 20 0 FGADHM COC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C)c(OC)cc2C)c1C ZINC000435725027 501017988 /nfs/dbraw/zinc/01/79/88/501017988.db2.gz WDJNVMDEEARPRC-UHFFFAOYSA-N -1 3 363.435 3.208 20 0 FGADHM O=S(=O)([N-]CC1(c2cccc(Br)c2)CCC1)c1ccco1 ZINC000445716379 501023763 /nfs/dbraw/zinc/02/37/63/501023763.db2.gz PLXBSNOYBXTDIU-UHFFFAOYSA-N -1 3 370.268 3.442 20 0 FGADHM O=S(=O)([N-]CC1(c2ccc3c(c2)OCO3)CCCCC1)c1ccco1 ZINC000445740814 501027198 /nfs/dbraw/zinc/02/71/98/501027198.db2.gz IHDXXIKOWXHXGT-UHFFFAOYSA-N -1 3 363.435 3.189 20 0 FGADHM Cc1cc(F)cc(-n2cc(C(=O)[N-]c3ncn(C4CCCCC4)n3)nn2)c1 ZINC000582460983 506233881 /nfs/dbraw/zinc/23/38/81/506233881.db2.gz XHPDMQLTQSWIMF-UHFFFAOYSA-N -1 3 369.404 3.064 20 0 FGADHM Cc1cc(C(=O)Nc2ccc(Cl)c(CN3CCOCC3)c2)ccc1[O-] ZINC000436022122 501058587 /nfs/dbraw/zinc/05/85/87/501058587.db2.gz ANYDCUNDEIDCJZ-UHFFFAOYSA-N -1 3 360.841 3.439 20 0 FGADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)C3(CC(C)C)CC3)c2)[n-]1 ZINC000440902475 501061581 /nfs/dbraw/zinc/06/15/81/501061581.db2.gz PIGRJXWUWLOPIN-UHFFFAOYSA-N -1 3 370.453 3.091 20 0 FGADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)C3(CC(C)C)CC3)c2)n[n-]1 ZINC000440902475 501061583 /nfs/dbraw/zinc/06/15/83/501061583.db2.gz PIGRJXWUWLOPIN-UHFFFAOYSA-N -1 3 370.453 3.091 20 0 FGADHM Cc1ncc(CNC(=O)c2ccc(C(=O)c3cccc([O-])c3)cc2)s1 ZINC000436141337 501077273 /nfs/dbraw/zinc/07/72/73/501077273.db2.gz WBPXIKFPCOILRI-UHFFFAOYSA-N -1 3 352.415 3.318 20 0 FGADHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc(OC3COC3)cc2)cc1 ZINC000436164281 501082423 /nfs/dbraw/zinc/08/24/23/501082423.db2.gz ZHFSSMYGCYMPNX-UHFFFAOYSA-N -1 3 363.435 3.054 20 0 FGADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)[C@H]2CCCC[C@@H]2OC)[nH][n-]1 ZINC000449838556 501103108 /nfs/dbraw/zinc/10/31/08/501103108.db2.gz GQGVSXLKBFIIGL-WFASDCNBSA-N -1 3 363.845 3.304 20 0 FGADHM Cc1ncsc1CNC(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000436322239 501107767 /nfs/dbraw/zinc/10/77/67/501107767.db2.gz MVIREHHEUIMGRL-UHFFFAOYSA-N -1 3 352.415 3.318 20 0 FGADHM O=C(CCc1ccc2ccccc2c1[O-])NCCCOC[C@@H]1CCOC1 ZINC000449927674 501128045 /nfs/dbraw/zinc/12/80/45/501128045.db2.gz WUIUXXMNTSXBBS-INIZCTEOSA-N -1 3 357.450 3.037 20 0 FGADHM CCC[C@H]1[C@H](C)CCCN1C(=O)C(=O)[N-]c1sccc1C(=O)OCC ZINC000441368641 501129198 /nfs/dbraw/zinc/12/91/98/501129198.db2.gz SPQLNYLHMVWFSZ-OCCSQVGLSA-N -1 3 366.483 3.291 20 0 FGADHM CCc1c([N-]C(=O)[C@H]2Oc3ccccc3O[C@@H]2C)onc1C(F)(F)F ZINC000582461824 506235788 /nfs/dbraw/zinc/23/57/88/506235788.db2.gz UDCHXUFNSXFXLY-PELKAZGASA-N -1 3 356.300 3.423 20 0 FGADHM CCOC(=O)CC1(S(=O)(=O)[N-]c2ccc3oc(C)c(C)c3c2)CC1 ZINC000436479664 501135467 /nfs/dbraw/zinc/13/54/67/501135467.db2.gz WTEMLBALNNAFRI-UHFFFAOYSA-N -1 3 351.424 3.277 20 0 FGADHM O=C(Nc1ccc(Cl)cc1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436488328 501137105 /nfs/dbraw/zinc/13/71/05/501137105.db2.gz VNGRYCPVLOEFNO-UHFFFAOYSA-N -1 3 359.813 3.036 20 0 FGADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N[C@H]3CCC[C@H]3C)cs2)c1 ZINC000436495588 501139255 /nfs/dbraw/zinc/13/92/55/501139255.db2.gz NWNIEVVLSIRQDG-DOMZBBRYSA-N -1 3 373.478 3.257 20 0 FGADHM CCOc1cc2c(cc1[C@@H]1C[C@H]1NC(=O)c1ccccc1[O-])O[C@@H](C)C2 ZINC000436494952 501139384 /nfs/dbraw/zinc/13/93/84/501139384.db2.gz MTXDYHYYUKUMAD-YLQAJVPDSA-N -1 3 353.418 3.400 20 0 FGADHM CN1CCN(c2cc(C(=O)Nc3ccc(C(C)(C)C)cc3[O-])ccn2)CC1 ZINC000436509977 501144239 /nfs/dbraw/zinc/14/42/39/501144239.db2.gz HWEBNKMIFACNRE-UHFFFAOYSA-N -1 3 368.481 3.089 20 0 FGADHM Cc1cnc(CCNC(=O)c2cc(OCc3ccccc3)ccc2[O-])nc1 ZINC000436524069 501147239 /nfs/dbraw/zinc/14/72/39/501147239.db2.gz FMCGHNUIUQIMEL-UHFFFAOYSA-N -1 3 363.417 3.042 20 0 FGADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CCO[C@@H](COc2ccccc2)C1 ZINC000436522930 501147617 /nfs/dbraw/zinc/14/76/17/501147617.db2.gz OPZIHWZCZSAXSY-LJQANCHMSA-N -1 3 367.445 3.191 20 0 FGADHM Cc1noc(C)c1CN(Cc1c(C)noc1C)C(=O)c1ccccc1[O-] ZINC000436528308 501148211 /nfs/dbraw/zinc/14/82/11/501148211.db2.gz KZCOKPDCGWZTMF-UHFFFAOYSA-N -1 3 355.394 3.444 20 0 FGADHM CCOC(=O)CN(C(=O)c1cc(OCc2ccccc2)ccc1[O-])C(C)C ZINC000436543455 501153053 /nfs/dbraw/zinc/15/30/53/501153053.db2.gz HVASRXOFAKVMOU-UHFFFAOYSA-N -1 3 371.433 3.385 20 0 FGADHM Cc1ccc(C(=O)Nc2cc(C(C)C)nn2-c2ncccn2)c([O-])c1C ZINC000436545703 501153873 /nfs/dbraw/zinc/15/38/73/501153873.db2.gz SFZJWBNBNIUVMH-UHFFFAOYSA-N -1 3 351.410 3.360 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N2CCC[C@@H](C(F)(F)F)[C@H]2C)c([O-])c1 ZINC000436549702 501154077 /nfs/dbraw/zinc/15/40/77/501154077.db2.gz VLNNETYNSKJYML-TZMCWYRMSA-N -1 3 372.387 3.010 20 0 FGADHM COC(=O)[C@H]1CCCCN1C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436550424 501154379 /nfs/dbraw/zinc/15/43/79/501154379.db2.gz IFONGEUVGOWICR-LJQANCHMSA-N -1 3 367.445 3.345 20 0 FGADHM Cc1[nH]n(C)c2nnc(NC(=O)c3cc(Cc4ccccc4)ccc3[O-])c1-2 ZINC000436551717 501155173 /nfs/dbraw/zinc/15/51/73/501155173.db2.gz RKSNAMZTWVKIGM-UHFFFAOYSA-N -1 3 361.405 3.154 20 0 FGADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCN(C2CCC2)CC1 ZINC000436552123 501155287 /nfs/dbraw/zinc/15/52/87/501155287.db2.gz BNXMJOGIQSMPJX-UHFFFAOYSA-N -1 3 350.462 3.293 20 0 FGADHM O=C(CNC(=O)CCC1CCCC1)N=c1cc(-c2cccc(Cl)c2)[n-][nH]1 ZINC000588216412 506237211 /nfs/dbraw/zinc/23/72/11/506237211.db2.gz HQAWQRJQJMMCHM-UHFFFAOYSA-N -1 3 374.872 3.177 20 0 FGADHM O=C(c1cc2c(cc1[O-])CCCC2)N(C[C@@H]1CCCO1)[C@@H]1CCSC1 ZINC000436563865 501157977 /nfs/dbraw/zinc/15/79/77/501157977.db2.gz FMHKLTPULBSBQG-SJORKVTESA-N -1 3 361.507 3.398 20 0 FGADHM Cc1ccc(C(=O)N2CCCC[C@@H]2CNC(=O)c2ccccc2)c([O-])c1C ZINC000436573439 501160406 /nfs/dbraw/zinc/16/04/06/501160406.db2.gz CMDWPFZQFYQKPV-GOSISDBHSA-N -1 3 366.461 3.434 20 0 FGADHM COC(=O)[C@@H]1c2ccccc2CCN1C(=O)c1ccc(C(C)C)cc1[O-] ZINC000436576832 501160992 /nfs/dbraw/zinc/16/09/92/501160992.db2.gz RMVXWXDRYRLNOJ-IBGZPJMESA-N -1 3 353.418 3.428 20 0 FGADHM CCN(CC)C(=O)CCCNC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436577030 501161166 /nfs/dbraw/zinc/16/11/66/501161166.db2.gz QVCHQGRXHPPKCF-UHFFFAOYSA-N -1 3 368.477 3.361 20 0 FGADHM O=C(Nc1cc(F)ccc1[O-])c1cnc(OC2CCOCC2)c(Cl)c1 ZINC000450048784 501164055 /nfs/dbraw/zinc/16/40/55/501164055.db2.gz XQZGJZPUFVGLNY-UHFFFAOYSA-N -1 3 366.776 3.390 20 0 FGADHM O=S(=O)(Cc1ccccc1Cl)[N-]c1cncc(Br)c1 ZINC000446793728 501165675 /nfs/dbraw/zinc/16/56/75/501165675.db2.gz QTDUKNXBAWXDBM-UHFFFAOYSA-N -1 3 361.648 3.439 20 0 FGADHM COc1cc(Cl)ccc1CN1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436594623 501165726 /nfs/dbraw/zinc/16/57/26/501165726.db2.gz HXKGIZMXZNYMRJ-UHFFFAOYSA-N -1 3 360.841 3.012 20 0 FGADHM CCC[C@@H](C)N(C)C(=O)C(=O)[N-]c1scc(CC(C)C)c1C(=O)OC ZINC000441702956 501166099 /nfs/dbraw/zinc/16/60/99/501166099.db2.gz HRDUEBKUPYLSLU-GFCCVEGCSA-N -1 3 368.499 3.319 20 0 FGADHM CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)c2cc(C)ccc2[O-])c1 ZINC000436596011 501166131 /nfs/dbraw/zinc/16/61/31/501166131.db2.gz KMQYVHUFZXXLAF-ZDUSSCGKSA-N -1 3 362.451 3.030 20 0 FGADHM CC(=O)c1ccc(C(=O)NCCOc2ccc(C(F)(F)F)cc2)cc1[O-] ZINC000436598389 501167025 /nfs/dbraw/zinc/16/70/25/501167025.db2.gz YXBKWDCKAROMQE-UHFFFAOYSA-N -1 3 367.323 3.422 20 0 FGADHM Cn1cc(-c2nn(C)cc2-c2nc(-c3ccc([O-])c4ccccc34)no2)cn1 ZINC000436605322 501168715 /nfs/dbraw/zinc/16/87/15/501168715.db2.gz BZGPVOGTEGXOHH-UHFFFAOYSA-N -1 3 372.388 3.396 20 0 FGADHM CC(C)c1ccc(-n2cc([O-])c(C(=O)N[C@@H]3C[C@@H](C)N(C4CC4)C3)n2)cc1 ZINC000441773035 501170233 /nfs/dbraw/zinc/17/02/33/501170233.db2.gz DQSVATHNPMTGGW-GDBMZVCRSA-N -1 3 368.481 3.056 20 0 FGADHM CCOC(=O)C1(c2nc(-c3ccc([O-])c4ccccc34)no2)CCOCC1 ZINC000436613380 501170279 /nfs/dbraw/zinc/17/02/79/501170279.db2.gz QKRSDEOPMRZISJ-UHFFFAOYSA-N -1 3 368.389 3.207 20 0 FGADHM CC(C)c1ccc(C(=O)NCc2ccc(CN3CCOCC3)cc2)c([O-])c1 ZINC000436625039 501171718 /nfs/dbraw/zinc/17/17/18/501171718.db2.gz NOEUVWDQAVJYML-UHFFFAOYSA-N -1 3 368.477 3.278 20 0 FGADHM COc1ccc(CNC(=O)c2cccc(C)c2[O-])cc1Br ZINC000436626104 501172811 /nfs/dbraw/zinc/17/28/11/501172811.db2.gz HATCTQQLWNPGKK-UHFFFAOYSA-N -1 3 350.212 3.402 20 0 FGADHM CC[C@](C)(COc1ncccc1Cl)NC(=O)c1ccc(O)cc1[O-] ZINC000436629058 501173849 /nfs/dbraw/zinc/17/38/49/501173849.db2.gz IHRMFMDIHJCUFV-QGZVFWFLSA-N -1 3 350.802 3.124 20 0 FGADHM Cc1ccccc1[C@@H](CC(F)(F)F)NC(=O)NCc1cnc(C)[n-]c1=O ZINC000446856920 501173869 /nfs/dbraw/zinc/17/38/69/501173869.db2.gz RKHRNHCCUJYCNV-CQSZACIVSA-N -1 3 368.359 3.292 20 0 FGADHM CCS[C@@H]1CCCC[C@H]1NC(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC000436640069 501176229 /nfs/dbraw/zinc/17/62/29/501176229.db2.gz SZTZNUGKCIGFLG-NVXWUHKLSA-N -1 3 364.511 3.001 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](C)[C@@H](c2ccccc2C)N(C)C)c1 ZINC000436641230 501176387 /nfs/dbraw/zinc/17/63/87/501176387.db2.gz MHHVLGDPZJOBTP-VLIAUNLRSA-N -1 3 369.465 3.080 20 0 FGADHM CN1CC[C@@H](NC(=O)c2c([O-])cccc2O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000436647096 501178358 /nfs/dbraw/zinc/17/83/58/501178358.db2.gz KDDQPRTXWSXYIS-CXAGYDPISA-N -1 3 364.804 3.066 20 0 FGADHM CC[C@H](NC(=O)c1cccc(C)c1[O-])[C@H](c1ccc(C)cc1)n1cncn1 ZINC000436649304 501178881 /nfs/dbraw/zinc/17/88/81/501178881.db2.gz OQJIURYPBXHERW-OALUTQOASA-N -1 3 364.449 3.399 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N2CC[C@@H](c3ccccc3C)C2)c([O-])c1 ZINC000436668418 501183551 /nfs/dbraw/zinc/18/35/51/501183551.db2.gz YAFSCEYCIWQJPG-QGZVFWFLSA-N -1 3 366.461 3.145 20 0 FGADHM CCCc1nc(C)c(NC(=O)CCNC(=O)c2ccc(C)cc2[O-])s1 ZINC000436679094 501186763 /nfs/dbraw/zinc/18/67/63/501186763.db2.gz JSHOSLFRZIUNDT-UHFFFAOYSA-N -1 3 361.467 3.177 20 0 FGADHM COc1cc(-c2nc([C@@H](OC)c3ccc(F)cc3)no2)cc(OC)c1[O-] ZINC000436686324 501189107 /nfs/dbraw/zinc/18/91/07/501189107.db2.gz DVEBBQYFKGCRFO-INIZCTEOSA-N -1 3 360.341 3.334 20 0 FGADHM O=C(NCc1ccccc1CN1CCCCCC1)C(=O)c1ccc([O-])cc1 ZINC000436698908 501191589 /nfs/dbraw/zinc/19/15/89/501191589.db2.gz OCVXYYKWPSFIRZ-UHFFFAOYSA-N -1 3 366.461 3.267 20 0 FGADHM CC(C)CC1(CNC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)CCC1 ZINC000436699373 501191681 /nfs/dbraw/zinc/19/16/81/501191681.db2.gz PWFGRYQKBHHWSV-UHFFFAOYSA-N -1 3 373.497 3.076 20 0 FGADHM Cc1ccc(-c2nnc(NC(=O)[C@H](C)[C@@H]3OCCc4sccc43)[n-]2)o1 ZINC000450142824 501192207 /nfs/dbraw/zinc/19/22/07/501192207.db2.gz WFDFGNXESMEGSC-YGRLFVJLSA-N -1 3 358.423 3.323 20 0 FGADHM Cc1ccc(-c2n[n-]c(NC(=O)[C@H](C)[C@@H]3OCCc4sccc43)n2)o1 ZINC000450142824 501192211 /nfs/dbraw/zinc/19/22/11/501192211.db2.gz WFDFGNXESMEGSC-YGRLFVJLSA-N -1 3 358.423 3.323 20 0 FGADHM Cc1ccc(-c2nc(NC(=O)[C@H](C)[C@@H]3OCCc4sccc43)n[n-]2)o1 ZINC000450142824 501192214 /nfs/dbraw/zinc/19/22/14/501192214.db2.gz WFDFGNXESMEGSC-YGRLFVJLSA-N -1 3 358.423 3.323 20 0 FGADHM COC(=O)C[C@H](NC(=O)c1cccc(C)c1[O-])c1ccc(SC)cc1 ZINC000436704020 501192468 /nfs/dbraw/zinc/19/24/68/501192468.db2.gz NSFQQMSZJVMOLD-INIZCTEOSA-N -1 3 359.447 3.457 20 0 FGADHM CCOc1cc(C(=O)N(C)C)ccc1NC(=O)c1ccc([O-])c(CC)c1 ZINC000436707573 501193083 /nfs/dbraw/zinc/19/30/83/501193083.db2.gz VERUTZZAFLCNOI-UHFFFAOYSA-N -1 3 356.422 3.307 20 0 FGADHM CN(Cc1ccc(OCC(F)(F)F)cc1)C(=O)c1c([O-])cccc1O ZINC000436711290 501193987 /nfs/dbraw/zinc/19/39/87/501193987.db2.gz GKMPPHKUWLNITC-UHFFFAOYSA-N -1 3 355.312 3.311 20 0 FGADHM CCCC1CCC(NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)CC1 ZINC000436716893 501195398 /nfs/dbraw/zinc/19/53/98/501195398.db2.gz AQCGYVPVYKSWFO-UHFFFAOYSA-N -1 3 373.497 3.219 20 0 FGADHM CN1CCN(Cc2cccc(NC(=O)c3ccc(Cl)cc3[O-])c2)CC1 ZINC000436717545 501195795 /nfs/dbraw/zinc/19/57/95/501195795.db2.gz HHJQCFYKRCUWJR-UHFFFAOYSA-N -1 3 359.857 3.045 20 0 FGADHM C[C@@H]1CN(C(=O)C(C)(C)C)C[C@@H](C)N1C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436740498 501201412 /nfs/dbraw/zinc/20/14/12/501201412.db2.gz RBOAPDORNBSMFU-HUUCEWRRSA-N -1 3 372.509 3.379 20 0 FGADHM CCCCOc1ccc(C(=O)NCc2nnc(SC)s2)c([O-])c1 ZINC000436738181 501201770 /nfs/dbraw/zinc/20/17/70/501201770.db2.gz NOYDKQHFOVVXCX-UHFFFAOYSA-N -1 3 353.469 3.075 20 0 FGADHM CC[C@H](C)c1nc([C@H](C)NC(=O)c2cc(Cl)c([O-])c(OC)c2)n[nH]1 ZINC000436743505 501202212 /nfs/dbraw/zinc/20/22/12/501202212.db2.gz HIWYLQWDCRQQJQ-IUCAKERBSA-N -1 3 352.822 3.177 20 0 FGADHM COc1ccc([C@H](NC(=O)c2ccc(C)c(C)c2[O-])c2nccn2C)cc1 ZINC000436753589 501204741 /nfs/dbraw/zinc/20/47/41/501204741.db2.gz FOXWPOYZQFNLEY-SFHVURJKSA-N -1 3 365.433 3.271 20 0 FGADHM Cc1cccc(C(=O)Nc2ccc(NC(=O)NC[C@H]3CCCO3)cc2)c1[O-] ZINC000436756893 501205903 /nfs/dbraw/zinc/20/59/03/501205903.db2.gz RKXKDVYCIJZNNY-MRXNPFEDSA-N -1 3 369.421 3.253 20 0 FGADHM O=C(Cc1ccc([O-])c(F)c1)NCc1cccc(COCC(F)(F)F)c1 ZINC000450194204 501207195 /nfs/dbraw/zinc/20/71/95/501207195.db2.gz GAQIZDRQGJDZAU-UHFFFAOYSA-N -1 3 371.330 3.469 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)NC(C)(C)c2ccccc2F)c([O-])c1 ZINC000436778818 501209897 /nfs/dbraw/zinc/20/98/97/501209897.db2.gz IIFLAFWMUFVAGN-UHFFFAOYSA-N -1 3 358.413 3.011 20 0 FGADHM Cc1nc2ccc(CN3CCN(C(=O)c4ccccc4[O-])CC3)cc2s1 ZINC000436784894 501211011 /nfs/dbraw/zinc/21/10/11/501211011.db2.gz RWGHHMRBCQPHKV-UHFFFAOYSA-N -1 3 367.474 3.268 20 0 FGADHM CCOC(=O)c1cc(NC(=O)CCCc2ccc([O-])c(F)c2)ccc1O ZINC000436799500 501212965 /nfs/dbraw/zinc/21/29/65/501212965.db2.gz PQLNXVDMRUCGSB-UHFFFAOYSA-N -1 3 361.369 3.375 20 0 FGADHM COCC1(CNC(=O)c2cc(Cc3ccccc3)ccc2[O-])CCOCC1 ZINC000436805694 501214209 /nfs/dbraw/zinc/21/42/09/501214209.db2.gz FWAOKPHKOJUUTC-UHFFFAOYSA-N -1 3 369.461 3.156 20 0 FGADHM Cc1ccc(C(=O)Nc2ccc(C(N)=O)cc2OCC(F)F)c([O-])c1C ZINC000436819030 501216315 /nfs/dbraw/zinc/21/63/15/501216315.db2.gz MDBNTKXJSZOETI-UHFFFAOYSA-N -1 3 364.348 3.004 20 0 FGADHM Cc1cc(CN2CCN(C(=O)c3ccccc3[O-])CC2)cc2cccnc12 ZINC000436849533 501221055 /nfs/dbraw/zinc/22/10/55/501221055.db2.gz FJCAFEONTMHBCJ-UHFFFAOYSA-N -1 3 361.445 3.207 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N[C@H]2CCC[C@@H]2c2ccccc2)c([O-])c1 ZINC000436861416 501222999 /nfs/dbraw/zinc/22/29/99/501222999.db2.gz DSEXORCRPYZTPH-MJGOQNOKSA-N -1 3 366.461 3.273 20 0 FGADHM O=c1[n-]nc([C@H]2CCCN(CCCOc3cccc(C(F)(F)F)c3)C2)o1 ZINC000450896958 501225518 /nfs/dbraw/zinc/22/55/18/501225518.db2.gz PBWKXTDEJPIJMW-LBPRGKRZSA-N -1 3 371.359 3.443 20 0 FGADHM CCC[C@H](NC(=O)[C@H](C)N1CCC[C@@H](c2n[n-]c(=O)o2)C1)c1ccccc1 ZINC000450898695 501226150 /nfs/dbraw/zinc/22/61/50/501226150.db2.gz BVOHFOZBZYSPJG-UAGQMJEPSA-N -1 3 372.469 3.001 20 0 FGADHM CCn1c(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)nc2cccnc21 ZINC000436880126 501226500 /nfs/dbraw/zinc/22/65/00/501226500.db2.gz IWQMJKGYGKWGCT-UHFFFAOYSA-N -1 3 352.394 3.123 20 0 FGADHM CCOc1ccc2c(c1)CCN(C(=O)c1cc(OC)c([O-])c(OC)c1)C2 ZINC000436882182 501226555 /nfs/dbraw/zinc/22/65/55/501226555.db2.gz XNSGYXFEFXDKEU-UHFFFAOYSA-N -1 3 357.406 3.007 20 0 FGADHM CCc1ccc(-c2nc(CC(=O)NCc3ccc(F)cc3F)no2)c([O-])c1 ZINC000436881862 501226572 /nfs/dbraw/zinc/22/65/72/501226572.db2.gz VKHMHHSANJEZLN-UHFFFAOYSA-N -1 3 373.359 3.142 20 0 FGADHM Cc1cccc(-c2nc(-c3ccc(CN4CCOCC4)cc3)no2)c1[O-] ZINC000436890783 501228082 /nfs/dbraw/zinc/22/80/82/501228082.db2.gz GLYFOMCQXCSTBX-UHFFFAOYSA-N -1 3 351.406 3.250 20 0 FGADHM CC[C@]1(c2ccc(NC(=O)c3ccc([O-])c(C)c3)cc2)CCC(=O)NC1=O ZINC000436898727 501229767 /nfs/dbraw/zinc/22/97/67/501229767.db2.gz ZLDKESMZMFNQGB-OAQYLSRUSA-N -1 3 366.417 3.037 20 0 FGADHM COc1ccc(C2(NC(=O)c3cccc(C)c3[O-])CCOCC2)cc1F ZINC000436904552 501230066 /nfs/dbraw/zinc/23/00/66/501230066.db2.gz XEUBQKDHKCIJTG-UHFFFAOYSA-N -1 3 359.397 3.284 20 0 FGADHM COc1ccc(C(=O)NC2(Cc3ccc(F)cc3)CCOCC2)c([O-])c1 ZINC000436917330 501232659 /nfs/dbraw/zinc/23/26/59/501232659.db2.gz DCAGOQIKLIJACY-UHFFFAOYSA-N -1 3 359.397 3.062 20 0 FGADHM Cc1ccc(NC(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)cc1F ZINC000436920045 501232675 /nfs/dbraw/zinc/23/26/75/501232675.db2.gz PUNCSUUZGDRCOX-UHFFFAOYSA-N -1 3 371.412 3.266 20 0 FGADHM Cc1cccc(C(=O)N[C@@H]2CCCN(c3ccccc3Cl)C2=O)c1[O-] ZINC000436921837 501232952 /nfs/dbraw/zinc/23/29/52/501232952.db2.gz VKRBCTQSDFDTKY-OAHLLOKOSA-N -1 3 358.825 3.279 20 0 FGADHM CN(C)[C@H](C[N-]S(=O)(=O)c1sccc1Cl)c1cccc(F)c1 ZINC000450992115 501237467 /nfs/dbraw/zinc/23/74/67/501237467.db2.gz YAYWAAINTZDEAO-CYBMUJFWSA-N -1 3 362.879 3.122 20 0 FGADHM CCOc1ccc(S(=O)(=O)[N-][C@H](CC)C(F)F)cc1Br ZINC000451086516 501244579 /nfs/dbraw/zinc/24/45/79/501244579.db2.gz VORASAUTIUOSBG-SNVBAGLBSA-N -1 3 372.231 3.170 20 0 FGADHM CCOc1ccc(Cl)c([N-]S(=O)(=O)CCOCC(F)(F)F)c1 ZINC000451095523 501245414 /nfs/dbraw/zinc/24/54/14/501245414.db2.gz SRLOBMVYYQOAST-UHFFFAOYSA-N -1 3 361.769 3.059 20 0 FGADHM Cc1csc(S(=O)(=O)[N-][C@H]2CCN([C@@H](C)c3ccccc3)C2)c1 ZINC000451106345 501246206 /nfs/dbraw/zinc/24/62/06/501246206.db2.gz OGHYULQXBNUXGG-HOCLYGCPSA-N -1 3 350.509 3.170 20 0 FGADHM Cc1csc(S(=O)(=O)[N-][C@H](C)c2cccc(N3CCCC3=O)c2)c1 ZINC000451119664 501246961 /nfs/dbraw/zinc/24/69/61/501246961.db2.gz HKYNZBBMEYMYRU-CYBMUJFWSA-N -1 3 364.492 3.223 20 0 FGADHM CCO[C@@H]1C[C@@](CO)(NC(=O)CCc2ccc3ccccc3c2[O-])C1(C)C ZINC000451214076 501252800 /nfs/dbraw/zinc/25/28/00/501252800.db2.gz BSXDMANLVIRQIR-GCJKJVERSA-N -1 3 371.477 3.160 20 0 FGADHM CO[C@@H](C[N-]S(=O)(=O)C[C@H]1CCCC1(F)F)c1ccc(Cl)cc1 ZINC000451242638 501254352 /nfs/dbraw/zinc/25/43/52/501254352.db2.gz JFVZMISJRLZMSS-OCCSQVGLSA-N -1 3 367.845 3.382 20 0 FGADHM CCC(CC)c1cc(C[N-]S(=O)(=O)C[C@@H]2CCCC2(F)F)on1 ZINC000451244158 501254546 /nfs/dbraw/zinc/25/45/46/501254546.db2.gz DXBYSNPXUJELCE-LBPRGKRZSA-N -1 3 350.431 3.433 20 0 FGADHM COC(=O)[C@H](C)[C@@H]([N-]S(=O)(=O)c1sccc1Cl)c1ccccc1 ZINC000451280925 501257275 /nfs/dbraw/zinc/25/72/75/501257275.db2.gz WXXOPFNERMEVGI-ZWNOBZJWSA-N -1 3 373.883 3.230 20 0 FGADHM O=S(=O)(Cc1c(F)cccc1Cl)[N-]Cc1nc(C2CC2)cs1 ZINC000451330143 501266651 /nfs/dbraw/zinc/26/66/51/501266651.db2.gz YYUCHHLDXZAMLT-UHFFFAOYSA-N -1 3 360.863 3.433 20 0 FGADHM C[C@@H](CN(C)Cc1ccccc1)[N-]S(=O)(=O)c1sccc1Cl ZINC000451369286 501277086 /nfs/dbraw/zinc/27/70/86/501277086.db2.gz RWGRXGIAYWWQIZ-LBPRGKRZSA-N -1 3 358.916 3.200 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1sccc1Cl)[C@@H](c1ccccc1)N(C)C ZINC000451416003 501287356 /nfs/dbraw/zinc/28/73/56/501287356.db2.gz IWTOWAHZTBTINS-FZMZJTMJSA-N -1 3 358.916 3.371 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1sccc1Cl)[C@@H](c1ccccc1)N(C)C ZINC000451416004 501287641 /nfs/dbraw/zinc/28/76/41/501287641.db2.gz IWTOWAHZTBTINS-RISCZKNCSA-N -1 3 358.916 3.371 20 0 FGADHM CC[C@@H](NCC[N-]S(=O)(=O)c1ccc(F)cc1F)c1ccsc1 ZINC000453209409 501292098 /nfs/dbraw/zinc/29/20/98/501292098.db2.gz IGXCWOVDLNMDJQ-CQSZACIVSA-N -1 3 360.451 3.046 20 0 FGADHM CC[C@H](C)N[C@H](C[N-]S(=O)(=O)c1sccc1Cl)c1ccco1 ZINC000451541662 501317401 /nfs/dbraw/zinc/31/74/01/501317401.db2.gz ZSUFXZFAUWNLKU-CMPLNLGQSA-N -1 3 362.904 3.402 20 0 FGADHM COC[C@@H]([N-]S(=O)(=O)C[C@H]1CCCC1(F)F)c1cccc(Cl)c1 ZINC000451567523 501326676 /nfs/dbraw/zinc/32/66/76/501326676.db2.gz PGAFLEJDLCBXQT-TZMCWYRMSA-N -1 3 367.845 3.382 20 0 FGADHM COc1ccc(NC(=O)CCNC(=O)c2ccc(C)cc2[O-])cc1SC ZINC000457911470 501333452 /nfs/dbraw/zinc/33/34/52/501333452.db2.gz LJKWNBHURBHMIM-UHFFFAOYSA-N -1 3 374.462 3.190 20 0 FGADHM O=S(=O)([N-]CCCC1CCOCC1)c1cc(C(F)(F)F)ccc1F ZINC000451604800 501335445 /nfs/dbraw/zinc/33/54/45/501335445.db2.gz BRSOVKGMXRNWRA-UHFFFAOYSA-N -1 3 369.380 3.330 20 0 FGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H]1CCCCC1(F)F ZINC000451639462 501341463 /nfs/dbraw/zinc/34/14/63/501341463.db2.gz IDVDXGLAEHZESE-JTQLQIEISA-N -1 3 353.818 3.452 20 0 FGADHM CO[C@H](C[N-]S(=O)(=O)c1cc(F)ccc1Cl)Cc1ccccc1 ZINC000451660956 501346360 /nfs/dbraw/zinc/34/63/60/501346360.db2.gz HDKVPJOLGMYPIC-AWEZNQCLSA-N -1 3 357.834 3.015 20 0 FGADHM CCc1nccn1[C@H](C)CC(=O)Nc1cc(Cl)cc(C(=O)OC)c1[O-] ZINC000592799747 506247964 /nfs/dbraw/zinc/24/79/64/506247964.db2.gz YCQFKSFHALJLLX-SNVBAGLBSA-N -1 3 365.817 3.181 20 0 FGADHM Cc1cccc(S(=O)(=O)[N-]C[C@@H]2CCCC2(F)F)c1Br ZINC000451822459 501380243 /nfs/dbraw/zinc/38/02/43/501380243.db2.gz KGKKMVCGELHIMJ-JTQLQIEISA-N -1 3 368.243 3.471 20 0 FGADHM CC(C)OC(=O)[C@@H]([N-]S(=O)(=O)Cc1ccc(C(F)F)cc1)C(C)C ZINC000451846748 501385061 /nfs/dbraw/zinc/38/50/61/501385061.db2.gz WWLBRIPDNXUWGS-AWEZNQCLSA-N -1 3 363.426 3.020 20 0 FGADHM CCn1ccnc1[C@@H](C)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000451934610 501403760 /nfs/dbraw/zinc/40/37/60/501403760.db2.gz VZQUMGONSSYTBR-MRVPVSSYSA-N -1 3 366.245 3.388 20 0 FGADHM CCCc1ncc(C[N-]S(=O)(=O)c2ccc(C)cc2Br)o1 ZINC000451959815 501409047 /nfs/dbraw/zinc/40/90/47/501409047.db2.gz NXXKJLUUPJPTJN-UHFFFAOYSA-N -1 3 373.272 3.177 20 0 FGADHM COc1cc(Cl)c(S(=O)(=O)[N-]CCC[C@H]2CCOC2)cc1Cl ZINC000452014098 501418863 /nfs/dbraw/zinc/41/88/63/501418863.db2.gz HVGSACLBYWQTPG-JTQLQIEISA-N -1 3 368.282 3.097 20 0 FGADHM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H]1C[C@H]1C1CC1 ZINC000452049676 501425121 /nfs/dbraw/zinc/42/51/21/501425121.db2.gz STJCKESYGONIOC-ZLDLUXBVSA-N -1 3 373.902 3.078 20 0 FGADHM C[C@H]1C[C@@H](O)CN(Cc2nc(=O)c3cc(-c4ccccc4)sc3[n-]2)C1 ZINC000452067721 501428173 /nfs/dbraw/zinc/42/81/73/501428173.db2.gz MXVIBHMBLFAPSK-GXTWGEPZSA-N -1 3 355.463 3.267 20 0 FGADHM COC(=O)c1sc2[n-]c(CN[C@@H](C)c3cccc(C)c3)nc(=O)c2c1C ZINC000452089244 501432932 /nfs/dbraw/zinc/43/29/32/501432932.db2.gz PKTGTQJETTZCLL-LBPRGKRZSA-N -1 3 371.462 3.239 20 0 FGADHM O=S(=O)([N-][C@H](c1cccs1)C1(CO)CCC1)c1ccc(F)cc1F ZINC000452097261 501433747 /nfs/dbraw/zinc/43/37/47/501433747.db2.gz YECKWQLPXUGHAV-OAHLLOKOSA-N -1 3 373.446 3.209 20 0 FGADHM O=S(=O)([N-][C@@H](c1cccs1)C1(CO)CCC1)c1cc(F)cc(F)c1 ZINC000452097516 501434023 /nfs/dbraw/zinc/43/40/23/501434023.db2.gz YGQQNUQBLCMZNY-HNNXBMFYSA-N -1 3 373.446 3.209 20 0 FGADHM C[C@H](c1ccc(C(=O)N2CCc3nc[n-]c(=O)c3C2)cc1)C(F)(F)F ZINC000455998573 501434585 /nfs/dbraw/zinc/43/45/85/501434585.db2.gz PQOPQCUAJGOSJH-SNVBAGLBSA-N -1 3 351.328 3.047 20 0 FGADHM COc1cc(C(=O)Nc2cc(Cl)cnc2OC(C)C)cc(OC)c1[O-] ZINC000456205171 501474649 /nfs/dbraw/zinc/47/46/49/501474649.db2.gz NOPFBIJVMIXQKO-UHFFFAOYSA-N -1 3 366.801 3.497 20 0 FGADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@@H]1CCO[C@@H](c2ccncc2)C1 ZINC000456296453 501491136 /nfs/dbraw/zinc/49/11/36/501491136.db2.gz CVAKGCARWBZLPC-VQIMIIECSA-N -1 3 358.413 3.286 20 0 FGADHM C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)N1C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000454261689 501495299 /nfs/dbraw/zinc/49/52/99/501495299.db2.gz IHICMAULRHKXCR-AEJSXWLSSA-N -1 3 369.343 3.153 20 0 FGADHM CCC[C@@H](NC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O)C(C)(C)C ZINC000452658320 501539545 /nfs/dbraw/zinc/53/95/45/501539545.db2.gz DHHGVSDNJTUTBX-QGZVFWFLSA-N -1 3 370.497 3.404 20 0 FGADHM CO[C@H]([C@@H](C)NC(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1)C1CC1 ZINC000456563790 501549129 /nfs/dbraw/zinc/54/91/29/501549129.db2.gz MULIUGARFUCPOE-ZUOKHONESA-N -1 3 353.418 3.167 20 0 FGADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@@H]1CCCc2nccn21 ZINC000452749400 501555866 /nfs/dbraw/zinc/55/58/66/501555866.db2.gz LZLWHZFWXNZIRF-NSHDSACASA-N -1 3 350.216 3.176 20 0 FGADHM CC1(C)CCC[C@H](CNC(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)C1 ZINC000456898461 501616466 /nfs/dbraw/zinc/61/64/66/501616466.db2.gz DQQYFXXBYKACJO-LBPRGKRZSA-N -1 3 356.463 3.143 20 0 FGADHM COC(=O)[C@@H]1CN(C(=O)Cc2ccc([O-])cc2Cl)C[C@H]1c1ccccc1 ZINC000456923389 501619908 /nfs/dbraw/zinc/61/99/08/501619908.db2.gz AOZAKVFIYBXPTC-DLBZAZTESA-N -1 3 373.836 3.003 20 0 FGADHM Cc1ccc(C(=O)C2CCN(Cc3cc(=O)[n-]c(C4CC4)n3)CC2)cc1 ZINC000459290643 501625573 /nfs/dbraw/zinc/62/55/73/501625573.db2.gz BSRNVSGVLKWOMV-UHFFFAOYSA-N -1 3 351.450 3.463 20 0 FGADHM Cc1cc(C)c(NC(=O)CN(C)Cc2cc(=O)[n-]c(C3CC3)n2)c(C)c1 ZINC000459301807 501627383 /nfs/dbraw/zinc/62/73/83/501627383.db2.gz LKPMECFRNODMDR-UHFFFAOYSA-N -1 3 354.454 3.055 20 0 FGADHM CCOc1cc(CN(C)[C@@H](C)C(=O)OC(C)C)cc(Br)c1[O-] ZINC000459334061 501633491 /nfs/dbraw/zinc/63/34/91/501633491.db2.gz CXYBKLWIUQLANS-NSHDSACASA-N -1 3 374.275 3.325 20 0 FGADHM CCOc1cc(CN2CCN(c3cc(C)ccn3)CC2)cc(Cl)c1[O-] ZINC000459316188 501629752 /nfs/dbraw/zinc/62/97/52/501629752.db2.gz AKZDCJRAHXVMPW-UHFFFAOYSA-N -1 3 361.873 3.470 20 0 FGADHM CC(C)C(=O)NC[C@@H]1CCCN(Cc2cccc([O-])c2Br)C1 ZINC000459328510 501631827 /nfs/dbraw/zinc/63/18/27/501631827.db2.gz QGBDDJWVCBAGBD-ZDUSSCGKSA-N -1 3 369.303 3.139 20 0 FGADHM Cc1ccnc(N2CCN(Cc3cccc([O-])c3Br)CC2)c1 ZINC000459330352 501632379 /nfs/dbraw/zinc/63/23/79/501632379.db2.gz RKFSSJSKEWZCLV-UHFFFAOYSA-N -1 3 362.271 3.180 20 0 FGADHM Cc1cnc(N2CCN(Cc3cccc([O-])c3Br)CC2)s1 ZINC000459337795 501634346 /nfs/dbraw/zinc/63/43/46/501634346.db2.gz GDUOMSHJEIXTHM-UHFFFAOYSA-N -1 3 368.300 3.242 20 0 FGADHM O=C(c1ccc(F)cc1)[C@@H]1CCCN(Cc2cc(=O)[n-]c(C3CC3)n2)C1 ZINC000459341815 501635117 /nfs/dbraw/zinc/63/51/17/501635117.db2.gz OMUFYDWBJNOOIL-OAHLLOKOSA-N -1 3 355.413 3.294 20 0 FGADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)N1CC[C@@H](CC(C)(C)C)C1 ZINC000457012355 501635217 /nfs/dbraw/zinc/63/52/17/501635217.db2.gz IXYITYKDVLMFNG-LBPRGKRZSA-N -1 3 356.470 3.450 20 0 FGADHM CC[C@@H]1CN(C(C)=O)[C@H](CC)CN1Cc1cccc([O-])c1Br ZINC000459373591 501641901 /nfs/dbraw/zinc/64/19/01/501641901.db2.gz KWHAXFIOJLGVQA-HUUCEWRRSA-N -1 3 369.303 3.376 20 0 FGADHM Cc1cc(-c2noc([C@H](C)NCc3cc(=O)[n-]c(C4CC4)n3)n2)ccc1F ZINC000459400557 501646979 /nfs/dbraw/zinc/64/69/79/501646979.db2.gz LAHBKEXDFRBQCO-NSHDSACASA-N -1 3 369.400 3.408 20 0 FGADHM COc1ccc([C@@H](NCc2cc(=O)[n-]c(C3CC3)n2)C(F)(F)F)cc1 ZINC000459408352 501648643 /nfs/dbraw/zinc/64/86/43/501648643.db2.gz LXFNTWUURAYUEA-OAHLLOKOSA-N -1 3 353.344 3.461 20 0 FGADHM O=c1cc(CN[C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)nc(C2CC2)[n-]1 ZINC000459432961 501652883 /nfs/dbraw/zinc/65/28/83/501652883.db2.gz ZPEIIYJDQBBPJT-NVXWUHKLSA-N -1 3 363.820 3.472 20 0 FGADHM O=c1cc(CN[C@]2(CO)CCCc3ccccc32)nc(-c2ccccc2)[n-]1 ZINC000459436431 501653499 /nfs/dbraw/zinc/65/34/99/501653499.db2.gz QADBUOHSXWFVRY-QFIPXVFZSA-N -1 3 361.445 3.163 20 0 FGADHM CCOc1cc(CNC(C)(C)C(=O)NCC(C)(C)C)cc(Cl)c1[O-] ZINC000459459328 501657553 /nfs/dbraw/zinc/65/75/53/501657553.db2.gz ZYYZBVBRFIMGOP-UHFFFAOYSA-N -1 3 356.894 3.475 20 0 FGADHM CCOc1cc(CN(C)[C@H](C)c2cnn(C)c2)cc(Br)c1[O-] ZINC000459465361 501658577 /nfs/dbraw/zinc/65/85/77/501658577.db2.gz ODUPDDXLNFJNAI-LLVKDONJSA-N -1 3 368.275 3.480 20 0 FGADHM CCOc1cc(CNc2ccc(N3CCOCC3)nc2)cc(Cl)c1[O-] ZINC000459474922 501659762 /nfs/dbraw/zinc/65/97/62/501659762.db2.gz ZWIVLATWCOPUPM-UHFFFAOYSA-N -1 3 363.845 3.288 20 0 FGADHM [O-]c1cccc(CNC[C@@H](O)CCc2ccccc2)c1Br ZINC000459481979 501661184 /nfs/dbraw/zinc/66/11/84/501661184.db2.gz NOUNQODHVZZWKQ-HNNXBMFYSA-N -1 3 350.256 3.238 20 0 FGADHM C[C@@](CO)(CNCc1cccc([O-])c1Br)c1ccccc1 ZINC000459567034 501677936 /nfs/dbraw/zinc/67/79/36/501677936.db2.gz VTSXAXHSDZBWKI-KRWDZBQOSA-N -1 3 350.256 3.195 20 0 FGADHM CC(C)(CO)[C@H](NCc1cccc([O-])c1Br)c1cccnc1 ZINC000459596413 501683894 /nfs/dbraw/zinc/68/38/94/501683894.db2.gz UOQODMNZCNJUBD-MRXNPFEDSA-N -1 3 365.271 3.399 20 0 FGADHM C[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O)C1CCC1 ZINC000457541242 501718939 /nfs/dbraw/zinc/71/89/39/501718939.db2.gz KBIULHONEOOFTQ-VIFPVBQESA-N -1 3 364.389 3.452 20 0 FGADHM CCCc1cc(C(=O)[N-]c2cc(C(=O)OCC)cc(C(=O)OCC)c2)no1 ZINC000459868993 501720676 /nfs/dbraw/zinc/72/06/76/501720676.db2.gz XZJZUVAKUPXOAU-UHFFFAOYSA-N -1 3 374.393 3.233 20 0 FGADHM COC(=O)CCCCC[N-]S(=O)(=O)c1oc2ccc(Cl)cc2c1C ZINC000470560379 501726894 /nfs/dbraw/zinc/72/68/94/501726894.db2.gz VJLNUIMKZGQDGH-UHFFFAOYSA-N -1 3 373.858 3.406 20 0 FGADHM CO[C@@H](C(=O)Nc1cc(Br)ccc1[O-])c1ccc(O)cc1 ZINC000463453444 501727645 /nfs/dbraw/zinc/72/76/45/501727645.db2.gz LAPZLMIJHNEXOA-CQSZACIVSA-N -1 3 352.184 3.187 20 0 FGADHM COC(=O)c1ccc(C(=O)Nc2nnc(-c3cc4ccccc4o3)[n-]2)cc1 ZINC000485132259 501732317 /nfs/dbraw/zinc/73/23/17/501732317.db2.gz IFVHGARMTTVXHF-UHFFFAOYSA-N -1 3 362.345 3.257 20 0 FGADHM COC(=O)c1ccc(C(=O)Nc2nc(-c3cc4ccccc4o3)n[n-]2)cc1 ZINC000485132259 501732323 /nfs/dbraw/zinc/73/23/23/501732323.db2.gz IFVHGARMTTVXHF-UHFFFAOYSA-N -1 3 362.345 3.257 20 0 FGADHM COC(=O)c1ccc(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)cc1 ZINC000485132259 501732329 /nfs/dbraw/zinc/73/23/29/501732329.db2.gz IFVHGARMTTVXHF-UHFFFAOYSA-N -1 3 362.345 3.257 20 0 FGADHM Cc1ncc(CNC(=O)Nc2cccc(Cl)c2Br)c(=O)[n-]1 ZINC000485234839 501764209 /nfs/dbraw/zinc/76/42/09/501764209.db2.gz JQRLYXOQCBAQEQ-UHFFFAOYSA-N -1 3 371.622 3.228 20 0 FGADHM Cc1cccc(NCC[N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)n1 ZINC000470789840 501803587 /nfs/dbraw/zinc/80/35/87/501803587.db2.gz NMBFUFIXKNAVBP-UHFFFAOYSA-N -1 3 360.266 3.087 20 0 FGADHM COCCCn1c(=O)[n-]nc1SCc1nc(-c2ccsc2)oc1C ZINC000588350666 506274465 /nfs/dbraw/zinc/27/44/65/506274465.db2.gz PLSRHJPHVSIKAY-UHFFFAOYSA-N -1 3 366.468 3.337 20 0 FGADHM COC(=O)C(C)(C)c1csc(NC(=O)c2cc(-c3ccc(C)o3)[n-]n2)n1 ZINC000485435346 501821564 /nfs/dbraw/zinc/82/15/64/501821564.db2.gz UZDVMACAMDYIOZ-UHFFFAOYSA-N -1 3 374.422 3.138 20 0 FGADHM COC(=O)C(C)(C)c1csc(NC(=O)c2cc(-c3ccc(C)o3)n[n-]2)n1 ZINC000485435346 501821569 /nfs/dbraw/zinc/82/15/69/501821569.db2.gz UZDVMACAMDYIOZ-UHFFFAOYSA-N -1 3 374.422 3.138 20 0 FGADHM Cc1nc2cc(C(=O)Nc3ccc(-c4nc(C)cc(=O)[n-]4)cc3)ccc2o1 ZINC000470832649 501822281 /nfs/dbraw/zinc/82/22/81/501822281.db2.gz AAHVAMGQIMAXPE-UHFFFAOYSA-N -1 3 360.373 3.447 20 0 FGADHM CCO[C@H](C)c1ncc(C(=O)[N-]c2ccc(C(=O)OC)cc2F)s1 ZINC000463875101 501844838 /nfs/dbraw/zinc/84/48/38/501844838.db2.gz LQMMPFXGJAGOEI-SECBINFHSA-N -1 3 352.387 3.419 20 0 FGADHM CCO[C@H](C(=O)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1)c1ccccc1 ZINC000467715577 501851907 /nfs/dbraw/zinc/85/19/07/501851907.db2.gz RWCTUPLWIMVKLO-SFHVURJKSA-N -1 3 357.360 3.493 20 0 FGADHM O=C(N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1)c1cccc(-n2ccnc2)c1 ZINC000467716492 501852166 /nfs/dbraw/zinc/85/21/66/501852166.db2.gz WZYKHTJRLFODSS-UHFFFAOYSA-N -1 3 365.343 3.215 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)NC[C@H](c2ccccc2)C(F)(F)F)c1 ZINC000485593246 501871632 /nfs/dbraw/zinc/87/16/32/501871632.db2.gz MFFAXZVMRQXAFA-OAHLLOKOSA-N -1 3 366.339 3.427 20 0 FGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)NC2C(C)(C)C2(C)C)cc1OC ZINC000481748650 501873076 /nfs/dbraw/zinc/87/30/76/501873076.db2.gz WDGGWIIQLKHKBD-UHFFFAOYSA-N -1 3 369.487 3.013 20 0 FGADHM Cc1ccc([C@H]2OCCC[C@H]2[N-]S(=O)(=O)c2ccc(F)cc2F)cc1 ZINC000467792343 501875037 /nfs/dbraw/zinc/87/50/37/501875037.db2.gz DVPJLKGUGWMGGG-SJLPKXTDSA-N -1 3 367.417 3.472 20 0 FGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]CCc2cscn2)c1Cl ZINC000467798366 501876651 /nfs/dbraw/zinc/87/66/51/501876651.db2.gz XPTHHGFYPUEHQG-UHFFFAOYSA-N -1 3 351.280 3.279 20 0 FGADHM COC(=O)c1ccc(NC(=O)c2cc(-c3ccc(C)o3)[n-]n2)cc1OC ZINC000478087004 501876903 /nfs/dbraw/zinc/87/69/03/501876903.db2.gz QFMNRGAHYHRRHR-UHFFFAOYSA-N -1 3 355.350 3.026 20 0 FGADHM COC(=O)c1ccc(NC(=O)c2cc(-c3ccc(C)o3)n[n-]2)cc1OC ZINC000478087004 501876908 /nfs/dbraw/zinc/87/69/08/501876908.db2.gz QFMNRGAHYHRRHR-UHFFFAOYSA-N -1 3 355.350 3.026 20 0 FGADHM O=C(CCOc1ccccc1F)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1 ZINC000467802322 501878455 /nfs/dbraw/zinc/87/84/55/501878455.db2.gz DCTOAIYRHLZBLY-UHFFFAOYSA-N -1 3 361.323 3.324 20 0 FGADHM O=C(N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1)c1c(F)cc(F)cc1F ZINC000467802638 501878928 /nfs/dbraw/zinc/87/89/28/501878928.db2.gz HUWUCRXKXJBYND-UHFFFAOYSA-N -1 3 353.250 3.446 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]CCCO[C@H](C)c2ccccc2)c(F)c1 ZINC000478145587 501892279 /nfs/dbraw/zinc/89/22/79/501892279.db2.gz VTUIRDGGDHIGSI-CQSZACIVSA-N -1 3 367.442 3.281 20 0 FGADHM COC(=O)c1sc([N-]C(=O)c2snnc2C2CC2)nc1C(C)(C)C ZINC000464102384 501899299 /nfs/dbraw/zinc/89/92/99/501899299.db2.gz SVIVZRNYFZBGQD-UHFFFAOYSA-N -1 3 366.468 3.208 20 0 FGADHM COc1ccccc1C[C@H](C)N(C)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000464163203 501911628 /nfs/dbraw/zinc/91/16/28/501911628.db2.gz HWXJBGZCYFDMAF-AWEZNQCLSA-N -1 3 350.418 3.240 20 0 FGADHM O=C(CCc1cccc(C(F)(F)F)c1)NCc1nnc(C(F)(F)F)[n-]1 ZINC000481921106 501918690 /nfs/dbraw/zinc/91/86/90/501918690.db2.gz LGVSXCAHSPWATN-UHFFFAOYSA-N -1 3 366.265 3.091 20 0 FGADHM O=C(CCc1cccc(C(F)(F)F)c1)NCc1n[n-]c(C(F)(F)F)n1 ZINC000481921106 501918692 /nfs/dbraw/zinc/91/86/92/501918692.db2.gz LGVSXCAHSPWATN-UHFFFAOYSA-N -1 3 366.265 3.091 20 0 FGADHM O=C(CCc1cccc(C(F)(F)F)c1)NCc1nc(C(F)(F)F)n[n-]1 ZINC000481921106 501918695 /nfs/dbraw/zinc/91/86/95/501918695.db2.gz LGVSXCAHSPWATN-UHFFFAOYSA-N -1 3 366.265 3.091 20 0 FGADHM CC(C)n1cnc(S(=O)(=O)[N-]Cc2cccc(-c3cccnc3)c2)c1 ZINC000464202221 501920928 /nfs/dbraw/zinc/92/09/28/501920928.db2.gz ZCDBHPHYZPDOEB-UHFFFAOYSA-N -1 3 356.451 3.005 20 0 FGADHM O=C([N-]c1ncnn1-c1ccccc1)c1c(F)cc(C(F)(F)F)cc1F ZINC000464262112 501936139 /nfs/dbraw/zinc/93/61/39/501936139.db2.gz MIQDSEKXJFNFRG-UHFFFAOYSA-N -1 3 368.265 3.239 20 0 FGADHM O=C(CNC(=O)c1cccc([O-])c1)NCC1(c2ccc(Cl)cc2)CCC1 ZINC000474732589 501936874 /nfs/dbraw/zinc/93/68/74/501936874.db2.gz VQQGPBSCAIVSLH-UHFFFAOYSA-N -1 3 372.852 3.014 20 0 FGADHM CN(Cc1nccn1Cc1ccccc1)C(=O)c1c[n-]c2ccccc2c1=O ZINC000464269202 501938982 /nfs/dbraw/zinc/93/89/82/501938982.db2.gz UZCAEQOTDKCVDO-UHFFFAOYSA-N -1 3 372.428 3.045 20 0 FGADHM C[C@@H]1CCCC[C@H]1OCC(=O)Nc1nnc(-c2c(F)cccc2F)[n-]1 ZINC000478316011 501940207 /nfs/dbraw/zinc/94/02/07/501940207.db2.gz QMWVCKRFEGFOIC-ZWNOBZJWSA-N -1 3 350.369 3.284 20 0 FGADHM C[C@@H]1CCCC[C@H]1OCC(=O)Nc1nc(-c2c(F)cccc2F)n[n-]1 ZINC000478316011 501940210 /nfs/dbraw/zinc/94/02/10/501940210.db2.gz QMWVCKRFEGFOIC-ZWNOBZJWSA-N -1 3 350.369 3.284 20 0 FGADHM C[C@@H]1CCCC[C@H]1OCC(=O)Nc1n[n-]c(-c2c(F)cccc2F)n1 ZINC000478316011 501940216 /nfs/dbraw/zinc/94/02/16/501940216.db2.gz QMWVCKRFEGFOIC-ZWNOBZJWSA-N -1 3 350.369 3.284 20 0 FGADHM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)c1cc(Cl)ccc1Cl ZINC000474769399 501946558 /nfs/dbraw/zinc/94/65/58/501946558.db2.gz BZKSJDWDMICOHF-UHFFFAOYSA-N -1 3 371.176 3.147 20 0 FGADHM C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)NCc2ncccc2[O-])cc1 ZINC000471247081 501966801 /nfs/dbraw/zinc/96/68/01/501966801.db2.gz YARRTKWZLPHROL-CQSZACIVSA-N -1 3 368.437 3.124 20 0 FGADHM C[C@H](NC(=O)N=c1cc2ccc(Br)cn2[n-]1)C1CCCC1 ZINC000482078171 501967957 /nfs/dbraw/zinc/96/79/57/501967957.db2.gz PNOAJEHCJZKZPT-JTQLQIEISA-N -1 3 351.248 3.219 20 0 FGADHM CCc1ncc(S(=O)(=O)[N-][C@H](C)c2cc(OC)c(OC)cc2C)s1 ZINC000460953766 501969916 /nfs/dbraw/zinc/96/99/16/501969916.db2.gz ULAFCLYZECJMOY-LLVKDONJSA-N -1 3 370.496 3.071 20 0 FGADHM CC[C@H](NCc1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1)c1cc(F)ccc1F ZINC000482094834 501972634 /nfs/dbraw/zinc/97/26/34/501972634.db2.gz NNIYQYIGLKUFBA-PXNSSMCTSA-N -1 3 373.403 3.260 20 0 FGADHM CC(C)[C@H]1CCN(C(=O)N=c2cc3ccc(Br)cn3[n-]2)C1 ZINC000482129672 501983084 /nfs/dbraw/zinc/98/30/84/501983084.db2.gz KKDWXOOCHAREQR-NSHDSACASA-N -1 3 351.248 3.029 20 0 FGADHM Cc1ccccc1CCNC(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482128027 501983449 /nfs/dbraw/zinc/98/34/49/501983449.db2.gz FZASMNVCDUHYDZ-UHFFFAOYSA-N -1 3 373.254 3.191 20 0 FGADHM CO[C@@H](CNC(=O)c1c[n-]c2ccccc2c1=O)c1ccc(Cl)cc1 ZINC000461039358 501996692 /nfs/dbraw/zinc/99/66/92/501996692.db2.gz ZEARFWQGHQAKOT-KRWDZBQOSA-N -1 3 356.809 3.299 20 0 FGADHM CCCCCN(Cc1ccc(F)cc1)C(=O)CNC(=O)c1cccc([O-])c1 ZINC000471396459 502011017 /nfs/dbraw/zinc/01/10/17/502011017.db2.gz OIBZVCCPDVEAGD-UHFFFAOYSA-N -1 3 372.440 3.480 20 0 FGADHM O=C(NCCc1ccc(OCc2ccccc2)cc1)c1csc(=O)[n-]1 ZINC000471395645 502011477 /nfs/dbraw/zinc/01/14/77/502011477.db2.gz CVEWSLTXNZAMOP-UHFFFAOYSA-N -1 3 354.431 3.400 20 0 FGADHM Cc1cccc(F)c1[N-]S(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000461109298 502015739 /nfs/dbraw/zinc/01/57/39/502015739.db2.gz STUNJLWAIUTAMX-UHFFFAOYSA-N -1 3 357.790 3.360 20 0 FGADHM CC(C)[C@H](Sc1ccccc1)C(=O)N=c1[n-]n(C)cc1Br ZINC000582548327 506288717 /nfs/dbraw/zinc/28/87/17/506288717.db2.gz WDQACOAEZFVVHU-ZDUSSCGKSA-N -1 3 368.300 3.360 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N(CC2CC2)C2CCC2)c1 ZINC000478596568 502027973 /nfs/dbraw/zinc/02/79/73/502027973.db2.gz AMKZYJJGIRUSKG-UHFFFAOYSA-N -1 3 369.421 3.346 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccnc(C4CC4)n3)c2)n1 ZINC000482286020 502029033 /nfs/dbraw/zinc/02/90/33/502029033.db2.gz LJMLOVBFWJCZIU-UHFFFAOYSA-N -1 3 361.405 3.331 20 0 FGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)[C@H]1COc2ccccc21 ZINC000486077832 502039192 /nfs/dbraw/zinc/03/91/92/502039192.db2.gz NAKPYQUMENAXPI-SMDDNHRTSA-N -1 3 367.854 3.192 20 0 FGADHM C[C@H](O)CCCN(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000475058492 502040672 /nfs/dbraw/zinc/04/06/72/502040672.db2.gz XRQNAVCNRWHALZ-INIZCTEOSA-N -1 3 362.495 3.080 20 0 FGADHM O=C([N-]c1nc2cc(Cl)ccn2n1)c1cnc(-c2ccccn2)s1 ZINC000464650971 502054757 /nfs/dbraw/zinc/05/47/57/502054757.db2.gz SQSKHFRYICOBDE-UHFFFAOYSA-N -1 3 356.798 3.154 20 0 FGADHM O=C(Nc1cc(Cl)cc(C(F)(F)F)c1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000478701185 502061834 /nfs/dbraw/zinc/06/18/34/502061834.db2.gz GNWCSABHYMJLBV-UHFFFAOYSA-N -1 3 368.698 3.495 20 0 FGADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)N[C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC000461338311 502075238 /nfs/dbraw/zinc/07/52/38/502075238.db2.gz LMPSJDMXTXCAGI-KWCYVHTRSA-N -1 3 354.454 3.250 20 0 FGADHM COc1cc(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCO3)ccc1F ZINC000471595755 502079620 /nfs/dbraw/zinc/07/96/20/502079620.db2.gz JJRBFBYANRHIAY-UHFFFAOYSA-N -1 3 359.762 3.017 20 0 FGADHM Cc1nc(S(=O)(=O)Cc2ncc(Cl)s2)[n-]c1Cc1ccccc1 ZINC000478868400 502107536 /nfs/dbraw/zinc/10/75/36/502107536.db2.gz ULEMCZFEPFZHNT-UHFFFAOYSA-N -1 3 367.883 3.393 20 0 FGADHM Cc1[n-]c(S(=O)(=O)Cc2ncc(Cl)s2)nc1Cc1ccccc1 ZINC000478868400 502107541 /nfs/dbraw/zinc/10/75/41/502107541.db2.gz ULEMCZFEPFZHNT-UHFFFAOYSA-N -1 3 367.883 3.393 20 0 FGADHM CN(C)[C@@H](CNC(=O)CCCc1ccc([O-])c(F)c1)c1cccs1 ZINC000468562495 502108012 /nfs/dbraw/zinc/10/80/12/502108012.db2.gz ANQPNAMJUJELPS-HNNXBMFYSA-N -1 3 350.459 3.335 20 0 FGADHM Cc1ccoc1C(=O)Nc1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1F ZINC000461469569 502127013 /nfs/dbraw/zinc/12/70/13/502127013.db2.gz LVVLUIHTZPKULN-UHFFFAOYSA-N -1 3 372.805 3.074 20 0 FGADHM C[N-]S(=O)(=O)c1cc(NC(=O)NCCCCC2CCCC2)ccc1F ZINC000486360280 502132824 /nfs/dbraw/zinc/13/28/24/502132824.db2.gz OCFBXZBDWALVCH-UHFFFAOYSA-N -1 3 371.478 3.216 20 0 FGADHM CCc1cc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)ccc1[O-] ZINC000486425375 502150864 /nfs/dbraw/zinc/15/08/64/502150864.db2.gz BETOBLYDLNKRQE-MRXNPFEDSA-N -1 3 358.825 3.143 20 0 FGADHM CCCC[C@@H](NC(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C)c1)C1CCC1 ZINC000486432244 502152619 /nfs/dbraw/zinc/15/26/19/502152619.db2.gz KIHGELIXMPRKAY-OAHLLOKOSA-N -1 3 371.478 3.214 20 0 FGADHM Cn1c2cc([O-])c(NC(=O)Cc3ccc(C(C)(C)C)cc3)cc2n(C)c1=O ZINC000461625787 502157097 /nfs/dbraw/zinc/15/70/97/502157097.db2.gz JFVVLIFPSHWHSJ-UHFFFAOYSA-N -1 3 367.449 3.061 20 0 FGADHM O=C(CCCc1ccc([O-])c(F)c1)NCC(=O)Nc1ccc(Cl)cc1 ZINC000468743730 502167659 /nfs/dbraw/zinc/16/76/59/502167659.db2.gz JHXMFRNZEOBWTB-UHFFFAOYSA-N -1 3 364.804 3.262 20 0 FGADHM C[C@]([N-]S(=O)(=O)c1ccc(Br)cc1)(C1CC1)C(F)(F)F ZINC000479138767 502174485 /nfs/dbraw/zinc/17/44/85/502174485.db2.gz HVCPLHIDSHPUAJ-NSHDSACASA-N -1 3 372.206 3.458 20 0 FGADHM CCOc1nc2cc(C(=O)N(C)CCOc3ccc(F)cc3)ccc2[n-]1 ZINC000468766122 502174744 /nfs/dbraw/zinc/17/47/44/502174744.db2.gz AWSYANYUNFDWRJ-UHFFFAOYSA-N -1 3 357.385 3.252 20 0 FGADHM CCOc1nc2ccc(C(=O)N(C)CCOc3ccc(F)cc3)cc2[n-]1 ZINC000468766122 502174749 /nfs/dbraw/zinc/17/47/49/502174749.db2.gz AWSYANYUNFDWRJ-UHFFFAOYSA-N -1 3 357.385 3.252 20 0 FGADHM COc1ccc(Cl)c([N-]S(=O)(=O)c2cc(OC)cc(OC)c2)c1 ZINC000486504136 502175288 /nfs/dbraw/zinc/17/52/88/502175288.db2.gz XWPKMIGBDQVZCT-UHFFFAOYSA-N -1 3 357.815 3.167 20 0 FGADHM CCO[C@H](CC(=O)Nc1ccc(F)c([N-]S(C)(=O)=O)c1)C1=CCCC1 ZINC000465027170 502176371 /nfs/dbraw/zinc/17/63/71/502176371.db2.gz MYVASDVRCBXJFR-MRXNPFEDSA-N -1 3 370.446 3.041 20 0 FGADHM Cc1cc(NC(=O)c2c[n-]nc2-c2ccncc2)ccc1C(=O)NC(C)C ZINC000471974092 502188698 /nfs/dbraw/zinc/18/86/98/502188698.db2.gz WJKLHTKYTATYIR-UHFFFAOYSA-N -1 3 363.421 3.171 20 0 FGADHM Cc1cc(NC(=O)c2cn[n-]c2-c2ccncc2)ccc1C(=O)NC(C)C ZINC000471974092 502188705 /nfs/dbraw/zinc/18/87/05/502188705.db2.gz WJKLHTKYTATYIR-UHFFFAOYSA-N -1 3 363.421 3.171 20 0 FGADHM CSc1cc(C)ccc1CNC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000465102467 502191280 /nfs/dbraw/zinc/19/12/80/502191280.db2.gz LGGRKBZRUITSMI-UHFFFAOYSA-N -1 3 364.492 3.018 20 0 FGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCCC[C@H]1n1cccn1 ZINC000486583517 502198976 /nfs/dbraw/zinc/19/89/76/502198976.db2.gz HEGICBAKJUJHNB-ZIAGYGMSSA-N -1 3 369.874 3.007 20 0 FGADHM C[C@H](Sc1ccccn1)C(=O)Nc1nnc(-c2c(F)cccc2F)[n-]1 ZINC000475513951 502199133 /nfs/dbraw/zinc/19/91/33/502199133.db2.gz WHXCLTZASRDOSB-VIFPVBQESA-N -1 3 361.377 3.264 20 0 FGADHM C[C@H](Sc1ccccn1)C(=O)Nc1nc(-c2c(F)cccc2F)n[n-]1 ZINC000475513951 502199134 /nfs/dbraw/zinc/19/91/34/502199134.db2.gz WHXCLTZASRDOSB-VIFPVBQESA-N -1 3 361.377 3.264 20 0 FGADHM C[C@H](Sc1ccccn1)C(=O)Nc1n[n-]c(-c2c(F)cccc2F)n1 ZINC000475513951 502199136 /nfs/dbraw/zinc/19/91/36/502199136.db2.gz WHXCLTZASRDOSB-VIFPVBQESA-N -1 3 361.377 3.264 20 0 FGADHM Cc1ccc(CN(C)C)cc1NC(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000486605305 502206306 /nfs/dbraw/zinc/20/63/06/502206306.db2.gz OWGWZBXFZDSWHL-UHFFFAOYSA-N -1 3 350.422 3.200 20 0 FGADHM CC(C)[C@@H](CNC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)Cc1ccccc1 ZINC000468872413 502213872 /nfs/dbraw/zinc/21/38/72/502213872.db2.gz GPQQCRDAQRCPJG-OAHLLOKOSA-N -1 3 365.433 3.207 20 0 FGADHM COCc1nocc1C(=O)[N-]c1nc(-c2cc(F)ccc2OC)cs1 ZINC000486676174 502227996 /nfs/dbraw/zinc/22/79/96/502227996.db2.gz LRZLKYHQVWBOAS-UHFFFAOYSA-N -1 3 363.370 3.345 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]CCc2ccc3c(c2)CCO3)c(Cl)cc1F ZINC000472105576 502234084 /nfs/dbraw/zinc/23/40/84/502234084.db2.gz GRQDKSBYZCPENJ-UHFFFAOYSA-N -1 3 369.845 3.243 20 0 FGADHM NC(=O)CN(CCC1CCCCC1)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000468959680 502243224 /nfs/dbraw/zinc/24/32/24/502243224.db2.gz MYRCGCMCFDMIEX-UHFFFAOYSA-N -1 3 364.461 3.138 20 0 FGADHM COc1cccc([C@H]2CN(C(=O)CCCc3ccc([O-])c(F)c3)CCO2)c1 ZINC000468963022 502245620 /nfs/dbraw/zinc/24/56/20/502245620.db2.gz LLGQJQBGLADQDX-HXUWFJFHSA-N -1 3 373.424 3.463 20 0 FGADHM Cc1nc(-c2ccc(NC(=O)N[C@@H](CO)c3ccsc3)cc2)cc(=O)[n-]1 ZINC000472144761 502246878 /nfs/dbraw/zinc/24/68/78/502246878.db2.gz WJVBQUQTFZCTQM-INIZCTEOSA-N -1 3 370.434 3.074 20 0 FGADHM COCCOc1ccc(F)cc1S(=O)(=O)[N-][C@@H](C)CCC(C)(C)C ZINC000468969756 502247343 /nfs/dbraw/zinc/24/73/43/502247343.db2.gz KZOMKXBHLBAJCP-ZDUSSCGKSA-N -1 3 361.479 3.344 20 0 FGADHM Cc1cc(NC(=O)CCCc2ccc([O-])c(F)c2)n(C2CCOCC2)n1 ZINC000468991714 502254602 /nfs/dbraw/zinc/25/46/02/502254602.db2.gz MXOZIYHQZZAOOZ-UHFFFAOYSA-N -1 3 361.417 3.349 20 0 FGADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)NC1(c2ccccc2)CCCC1 ZINC000483053409 502258912 /nfs/dbraw/zinc/25/89/12/502258912.db2.gz PDNXZBMGVCBZSP-UHFFFAOYSA-N -1 3 353.348 3.092 20 0 FGADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)NC1(c2ccccc2)CCCC1 ZINC000483053409 502258918 /nfs/dbraw/zinc/25/89/18/502258918.db2.gz PDNXZBMGVCBZSP-UHFFFAOYSA-N -1 3 353.348 3.092 20 0 FGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)NC1(c2ccccc2)CCCC1 ZINC000483053409 502258924 /nfs/dbraw/zinc/25/89/24/502258924.db2.gz PDNXZBMGVCBZSP-UHFFFAOYSA-N -1 3 353.348 3.092 20 0 FGADHM Cc1ccccc1-c1cc(=NC(=O)c2cc(OCC(F)F)ccn2)[nH][n-]1 ZINC000483059748 502259973 /nfs/dbraw/zinc/25/99/73/502259973.db2.gz NGGHMZVCMGJTDH-UHFFFAOYSA-N -1 3 358.348 3.098 20 0 FGADHM O=C(CCCc1ccc([O-])c(F)c1)NCCCc1ccc2c(c1)OCCO2 ZINC000469011839 502263528 /nfs/dbraw/zinc/26/35/28/502263528.db2.gz PNZZMDGTRQSIFJ-UHFFFAOYSA-N -1 3 373.424 3.374 20 0 FGADHM COC(=O)c1csc(S(=O)(=O)[N-]Cc2ccc(C)cc2SC)c1 ZINC000465474143 502273511 /nfs/dbraw/zinc/27/35/11/502273511.db2.gz SWCUMRXAJUZMEC-UHFFFAOYSA-N -1 3 371.505 3.044 20 0 FGADHM O=S(=O)([N-][C@@H]1CSc2ccc(Br)cc21)c1ccco1 ZINC000486823465 502275455 /nfs/dbraw/zinc/27/54/55/502275455.db2.gz PSENKEGBQBBVBG-SNVBAGLBSA-N -1 3 360.254 3.167 20 0 FGADHM Cc1cc(F)c(S(=O)(=O)[N-]C[C@H]2CCCO[C@H]2C(C)(C)C)cc1F ZINC000475760789 502283473 /nfs/dbraw/zinc/28/34/73/502283473.db2.gz UFDVGGBDOVPCAL-MLGOLLRUSA-N -1 3 361.454 3.393 20 0 FGADHM CC[C@@H]([N-]S(=O)(=O)c1ccc2ncsc2c1)c1nc(C)cs1 ZINC000475786051 502290716 /nfs/dbraw/zinc/29/07/16/502290716.db2.gz KJZGOBSRWRDAKI-LLVKDONJSA-N -1 3 353.494 3.491 20 0 FGADHM O=S(=O)([N-]C[C@@H](CO)CC1CCCC1)c1ccc(C(F)(F)F)s1 ZINC000462072572 502295146 /nfs/dbraw/zinc/29/51/46/502295146.db2.gz 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ZINC000479758507 502367843 /nfs/dbraw/zinc/36/78/43/502367843.db2.gz XURQYLXTUGQRBF-UHFFFAOYSA-N -1 3 358.348 3.248 20 0 FGADHM COc1ccc(C)cc1CC(=O)Nc1nc(-c2c(F)cccc2F)n[n-]1 ZINC000479758507 502367848 /nfs/dbraw/zinc/36/78/48/502367848.db2.gz XURQYLXTUGQRBF-UHFFFAOYSA-N -1 3 358.348 3.248 20 0 FGADHM COc1ccc(C)cc1CC(=O)Nc1n[n-]c(-c2c(F)cccc2F)n1 ZINC000479758507 502367855 /nfs/dbraw/zinc/36/78/55/502367855.db2.gz XURQYLXTUGQRBF-UHFFFAOYSA-N -1 3 358.348 3.248 20 0 FGADHM Cc1cc(C(=O)NCCc2ccc(OCC(F)(F)F)nc2)ccc1[O-] ZINC000479782867 502376168 /nfs/dbraw/zinc/37/61/68/502376168.db2.gz POJUODUVYGHDDZ-UHFFFAOYSA-N -1 3 354.328 3.009 20 0 FGADHM C[C@@H](Cc1ccncc1)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000487160338 502377092 /nfs/dbraw/zinc/37/70/92/502377092.db2.gz XUDXLOLLLNRWOY-JTQLQIEISA-N -1 3 362.348 3.149 20 0 FGADHM COc1cc(S(=O)(=O)[N-][C@H](CC(C)(C)C)C(F)(F)F)ccc1F ZINC000469331620 502378070 /nfs/dbraw/zinc/37/80/70/502378070.db2.gz CNUDYQMHQDNNHZ-GFCCVEGCSA-N -1 3 357.369 3.480 20 0 FGADHM CC[C@@H](C)n1ncc(C(=O)Nc2cc(C)ccc2[N-]S(C)(=O)=O)c1C ZINC000479798832 502380915 /nfs/dbraw/zinc/38/09/15/502380915.db2.gz PZYNQCIFEPUMTR-GFCCVEGCSA-N -1 3 364.471 3.095 20 0 FGADHM COC(=O)[C@@H](C)N(Cc1ccc(OC)c([O-])c1Br)C1CCC1 ZINC000483448400 502395988 /nfs/dbraw/zinc/39/59/88/502395988.db2.gz MKCRRKDTSIEYNO-SNVBAGLBSA-N -1 3 372.259 3.079 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)c1cnn(C)c1 ZINC000462331496 502396433 /nfs/dbraw/zinc/39/64/33/502396433.db2.gz CSSVNMZOSQPMKP-ZETCQYMHSA-N -1 3 368.673 3.420 20 0 FGADHM C[S@](=O)C[C@@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1ccccc1 ZINC000469403473 502402339 /nfs/dbraw/zinc/40/23/39/502402339.db2.gz GMCWMCLNPGGXOJ-NSYGIPOTSA-N -1 3 363.454 3.090 20 0 FGADHM CCCCS(=O)(=O)[N-][C@@](C)(C(=O)OC)c1ccc(Cl)c(Cl)c1 ZINC000476173516 502404022 /nfs/dbraw/zinc/40/40/22/502404022.db2.gz SLQBZUVNHWGUPD-CQSZACIVSA-N -1 3 368.282 3.101 20 0 FGADHM COC(=O)CCCOc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000487295575 502411062 /nfs/dbraw/zinc/41/10/62/502411062.db2.gz FVJSCUNDMUAROV-UHFFFAOYSA-N -1 3 363.435 3.128 20 0 FGADHM CO[C@H](c1ccccc1Cl)[C@H](C)[N-]S(=O)(=O)c1cn(C(C)C)cn1 ZINC000479923475 502420054 /nfs/dbraw/zinc/42/00/54/502420054.db2.gz YCWAXWVRFIIDPW-LRDDRELGSA-N -1 3 371.890 3.172 20 0 FGADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)N1CCC[C@H]1CCc1ccccc1 ZINC000483545363 502427300 /nfs/dbraw/zinc/42/73/00/502427300.db2.gz SXGADHSTPWOMSU-ZDUSSCGKSA-N -1 3 367.375 3.130 20 0 FGADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)N1CCC[C@H]1CCc1ccccc1 ZINC000483545363 502427304 /nfs/dbraw/zinc/42/73/04/502427304.db2.gz SXGADHSTPWOMSU-ZDUSSCGKSA-N -1 3 367.375 3.130 20 0 FGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N1CCC[C@H]1CCc1ccccc1 ZINC000483545363 502427310 /nfs/dbraw/zinc/42/73/10/502427310.db2.gz SXGADHSTPWOMSU-ZDUSSCGKSA-N -1 3 367.375 3.130 20 0 FGADHM CC[C@H](C)N(Cc1ccccc1)C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000483553945 502429239 /nfs/dbraw/zinc/42/92/39/502429239.db2.gz BBFGMEHJAUGTBT-NSHDSACASA-N -1 3 355.364 3.334 20 0 FGADHM CC[C@H](C)N(Cc1ccccc1)C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000483553945 502429243 /nfs/dbraw/zinc/42/92/43/502429243.db2.gz BBFGMEHJAUGTBT-NSHDSACASA-N -1 3 355.364 3.334 20 0 FGADHM CC[C@H](C)N(Cc1ccccc1)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000483553945 502429246 /nfs/dbraw/zinc/42/92/46/502429246.db2.gz BBFGMEHJAUGTBT-NSHDSACASA-N -1 3 355.364 3.334 20 0 FGADHM Cc1cc(N2CCCC2)ccc1NC(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000479958223 502430411 /nfs/dbraw/zinc/43/04/11/502430411.db2.gz CEKMKDPJUCIFEC-UHFFFAOYSA-N -1 3 368.363 3.054 20 0 FGADHM Cc1cc(N2CCCC2)ccc1NC(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000479958223 502430415 /nfs/dbraw/zinc/43/04/15/502430415.db2.gz CEKMKDPJUCIFEC-UHFFFAOYSA-N -1 3 368.363 3.054 20 0 FGADHM Cc1cc(N2CCCC2)ccc1NC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000479958223 502430419 /nfs/dbraw/zinc/43/04/19/502430419.db2.gz CEKMKDPJUCIFEC-UHFFFAOYSA-N -1 3 368.363 3.054 20 0 FGADHM COC[C@H]([N-]S(=O)(=O)c1cc(F)ccc1F)c1ccc(Cl)cc1 ZINC000487406666 502435444 /nfs/dbraw/zinc/43/54/44/502435444.db2.gz 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Cc1cccc2c1[C@@H](C)C[C@@H]2CC(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000488902919 502835068 /nfs/dbraw/zinc/83/50/68/502835068.db2.gz WWWSYTNYGVPBPD-WDEREUQCSA-N -1 3 352.360 3.429 20 0 FGADHM Cc1cccc2c1[C@@H](C)C[C@@H]2CC(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000488902919 502835069 /nfs/dbraw/zinc/83/50/69/502835069.db2.gz WWWSYTNYGVPBPD-WDEREUQCSA-N -1 3 352.360 3.429 20 0 FGADHM Cc1cccc2c1[C@@H](C)C[C@@H]2CC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000488902919 502835070 /nfs/dbraw/zinc/83/50/70/502835070.db2.gz WWWSYTNYGVPBPD-WDEREUQCSA-N -1 3 352.360 3.429 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)c3coc(C4CCCC4)n3)[n-]c21 ZINC000509173917 502840360 /nfs/dbraw/zinc/84/03/60/502840360.db2.gz HECRFAFDAZHFQH-UHFFFAOYSA-N -1 3 354.366 3.247 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3coc(C4CCCC4)n3)nc21 ZINC000509173917 502840362 /nfs/dbraw/zinc/84/03/62/502840362.db2.gz HECRFAFDAZHFQH-UHFFFAOYSA-N -1 3 354.366 3.247 20 0 FGADHM COc1ccc2c(c1)[n-]cc(C(=O)N1CCc3ccc(F)c(F)c3C1)c2=O ZINC000488983493 502853563 /nfs/dbraw/zinc/85/35/63/502853563.db2.gz OPQWDTUWONXFEA-UHFFFAOYSA-N -1 3 370.355 3.013 20 0 FGADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)CC3CC(C)(C)C3)c2)[n-]1 ZINC000509228739 502854322 /nfs/dbraw/zinc/85/43/22/502854322.db2.gz WWDQXPMRANTYJS-UHFFFAOYSA-N -1 3 370.453 3.091 20 0 FGADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)CC3CC(C)(C)C3)c2)n[n-]1 ZINC000509228739 502854323 /nfs/dbraw/zinc/85/43/23/502854323.db2.gz WWDQXPMRANTYJS-UHFFFAOYSA-N -1 3 370.453 3.091 20 0 FGADHM Cc1cc(C(F)(F)F)ccc1CNC(=O)c1cc(F)cc2nn[n-]c21 ZINC000505136289 502856858 /nfs/dbraw/zinc/85/68/58/502856858.db2.gz YMZVYWXPKLGGCF-UHFFFAOYSA-N -1 3 352.291 3.354 20 0 FGADHM Cc1cc(C(F)(F)F)ccc1CNC(=O)c1cc(F)cc2[n-]nnc21 ZINC000505136289 502856861 /nfs/dbraw/zinc/85/68/61/502856861.db2.gz YMZVYWXPKLGGCF-UHFFFAOYSA-N -1 3 352.291 3.354 20 0 FGADHM Cc1cc(C(F)(F)F)ccc1CNC(=O)c1cc(F)cc2n[n-]nc21 ZINC000505136289 502856863 /nfs/dbraw/zinc/85/68/63/502856863.db2.gz YMZVYWXPKLGGCF-UHFFFAOYSA-N -1 3 352.291 3.354 20 0 FGADHM COC(=O)COc1ccc(NC(=O)c2cccc([O-])c2)c2ccccc12 ZINC000509243899 502857938 /nfs/dbraw/zinc/85/79/38/502857938.db2.gz XKLNTWXWPNSFOO-UHFFFAOYSA-N -1 3 351.358 3.350 20 0 FGADHM COc1cc(OC)c(OC)cc1NC(=O)Cc1ccc([O-])cc1Cl ZINC000509255497 502860734 /nfs/dbraw/zinc/86/07/34/502860734.db2.gz FNSVDZOETFRLDZ-UHFFFAOYSA-N -1 3 351.786 3.253 20 0 FGADHM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(CN(C)C)c2)cc1 ZINC000500782882 502863063 /nfs/dbraw/zinc/86/30/63/502863063.db2.gz XELDLIRLEBCWRX-UHFFFAOYSA-N -1 3 366.870 3.405 20 0 FGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-][C@H](C)CCc1ccco1 ZINC000513147083 502863797 /nfs/dbraw/zinc/86/37/97/502863797.db2.gz ILVMATNOWOPFHX-LLVKDONJSA-N -1 3 371.842 3.019 20 0 FGADHM CCCCOCCC[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000489045861 502867406 /nfs/dbraw/zinc/86/74/06/502867406.db2.gz AVVASOXISGRDBB-UHFFFAOYSA-N -1 3 373.368 3.209 20 0 FGADHM O=S(=O)([N-]CCc1ccsc1)c1cc(C(F)(F)F)ccc1F ZINC000513174972 502869874 /nfs/dbraw/zinc/86/98/74/502869874.db2.gz BBTIFTVZVVHZGF-UHFFFAOYSA-N -1 3 353.362 3.427 20 0 FGADHM COCc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2F)cc1 ZINC000509398067 502892155 /nfs/dbraw/zinc/89/21/55/502892155.db2.gz ZJORQVUQCLYDLT-UHFFFAOYSA-N -1 3 361.341 3.374 20 0 FGADHM CC1(C)CC(C(=O)Nc2cc(S(=O)(=O)[N-]C3CC3)c(Cl)cc2F)C1 ZINC000513303670 502900583 /nfs/dbraw/zinc/90/05/83/502900583.db2.gz MBLUVPRSANITLI-UHFFFAOYSA-N -1 3 374.865 3.295 20 0 FGADHM CCOC(=O)[C@](C)(CNC(=O)c1cc([O-])ccc1Cl)c1ccccc1 ZINC000505472927 502911042 /nfs/dbraw/zinc/91/10/42/502911042.db2.gz DWVOMUUYAXZBRE-LJQANCHMSA-N -1 3 361.825 3.296 20 0 FGADHM COC1(CNC(=O)Cc2ccc(Br)cc2[O-])CCCCC1 ZINC000501038918 502918974 /nfs/dbraw/zinc/91/89/74/502918974.db2.gz YGHSFLMRNLKVDO-UHFFFAOYSA-N -1 3 356.260 3.163 20 0 FGADHM O=S(=O)([N-]CCNc1nccc2occc21)c1ccc(F)cc1Cl ZINC000509525570 502925978 /nfs/dbraw/zinc/92/59/78/502925978.db2.gz IHCXJECNKDVSEP-UHFFFAOYSA-N -1 3 369.805 3.011 20 0 FGADHM Cc1ccc(F)c(S(=O)(=O)[N-]CC(=O)Nc2cccc3ccccc32)c1 ZINC000509631570 502953353 /nfs/dbraw/zinc/95/33/53/502953353.db2.gz FZUODYFKDISTFC-UHFFFAOYSA-N -1 3 372.421 3.204 20 0 FGADHM COc1cc(C(=O)N(C[C@H](C)c2ccccc2)[C@@H](C)CO)cc(OC)c1[O-] ZINC000489448945 502961553 /nfs/dbraw/zinc/96/15/53/502961553.db2.gz LMVUHSPINYEHSD-GJZGRUSLSA-N -1 3 373.449 3.036 20 0 FGADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@@H]3CC34CCSCC4)cc2)n1 ZINC000582646355 506343999 /nfs/dbraw/zinc/34/39/99/506343999.db2.gz MMMWQNOYXMNMDC-HNNXBMFYSA-N -1 3 355.463 3.217 20 0 FGADHM [O-]c1ccc(F)c(CN(Cc2ccc(-n3cncn3)cc2)C2CC2)c1F ZINC000513564437 502966381 /nfs/dbraw/zinc/96/63/81/502966381.db2.gz VELDPERGRZPVTG-UHFFFAOYSA-N -1 3 356.376 3.416 20 0 FGADHM COCC1([N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)CCC1 ZINC000509762183 502981919 /nfs/dbraw/zinc/98/19/19/502981919.db2.gz MYOLZOWXGVULKT-UHFFFAOYSA-N -1 3 357.781 3.206 20 0 FGADHM COc1cc(C(=O)NCc2ccnc(OCc3ccccc3)c2)ccc1[O-] ZINC000509770330 502983029 /nfs/dbraw/zinc/98/30/29/502983029.db2.gz JSHNHMDBWXBTOF-UHFFFAOYSA-N -1 3 364.401 3.305 20 0 FGADHM O=S(=O)([N-][C@@H]1CCC[C@H]1OC(F)F)c1ccccc1C(F)(F)F ZINC000501385093 502998386 /nfs/dbraw/zinc/99/83/86/502998386.db2.gz FTFORGVJIAGTNI-NXEZZACHSA-N -1 3 359.316 3.144 20 0 FGADHM O=C(N=c1cc(-c2ccccc2)[n-][nH]1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000497578701 502992363 /nfs/dbraw/zinc/99/23/63/502992363.db2.gz OCIAHGMOQZBHIC-IBGZPJMESA-N -1 3 360.461 3.349 20 0 FGADHM CC[C@@H](C[C@H](C)CO)[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000509878777 503003169 /nfs/dbraw/zinc/00/31/69/503003169.db2.gz OMQADGVFDDOZAE-ONGXEEELSA-N -1 3 373.824 3.434 20 0 FGADHM O=C([N-]Cc1noc(-c2cccc(F)c2)n1)c1c(F)c(F)cc(F)c1F ZINC000505880289 503004575 /nfs/dbraw/zinc/00/45/75/503004575.db2.gz RWGMFUQQKBSGJH-UHFFFAOYSA-N -1 3 369.249 3.362 20 0 FGADHM COc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2COc3c2ccc(C)c3C)c1 ZINC000489677466 503008832 /nfs/dbraw/zinc/00/88/32/503008832.db2.gz MOIFRFIRQFZRJK-OAHLLOKOSA-N -1 3 367.854 3.377 20 0 FGADHM CCC[C@@H](CCO)C[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000509907055 503009381 /nfs/dbraw/zinc/00/93/81/503009381.db2.gz DEMLCDZDTWEDQU-JTQLQIEISA-N -1 3 373.824 3.436 20 0 FGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)[C@H]1COc2ccc(Cl)cc21 ZINC000489707445 503016144 /nfs/dbraw/zinc/01/61/44/503016144.db2.gz DERUWNRCUIMHLE-NSHDSACASA-N -1 3 364.785 3.182 20 0 FGADHM CC(=O)[C@H](C)CCCCC(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000513758149 503017393 /nfs/dbraw/zinc/01/73/93/503017393.db2.gz XLERKIKXKKDHCG-LLVKDONJSA-N -1 3 366.259 3.243 20 0 FGADHM C[C@@H](NC(=O)c1cc(F)cc2nn[n-]c21)c1nc2ccccc2n1C(F)F ZINC000501499737 503022323 /nfs/dbraw/zinc/02/23/23/503022323.db2.gz BVBKVIZRTNCZRG-MRVPVSSYSA-N -1 3 374.326 3.333 20 0 FGADHM C[C@@H](NC(=O)c1cc(F)cc2[n-]nnc21)c1nc2ccccc2n1C(F)F ZINC000501499737 503022324 /nfs/dbraw/zinc/02/23/24/503022324.db2.gz BVBKVIZRTNCZRG-MRVPVSSYSA-N -1 3 374.326 3.333 20 0 FGADHM C[C@@H](NC(=O)c1cc(F)cc2n[n-]nc21)c1nc2ccccc2n1C(F)F ZINC000501499737 503022326 /nfs/dbraw/zinc/02/23/26/503022326.db2.gz BVBKVIZRTNCZRG-MRVPVSSYSA-N -1 3 374.326 3.333 20 0 FGADHM CC(C)n1cnc(S(=O)(=O)[N-][C@H]2C[C@@H]2c2ccccc2C(F)(F)F)c1 ZINC000513791121 503023584 /nfs/dbraw/zinc/02/35/84/503023584.db2.gz JUCDOACTEQDPHJ-OCCSQVGLSA-N -1 3 373.400 3.317 20 0 FGADHM C[C@H](Sc1ccccc1C(=O)Nc1cc(Cl)ccc1[O-])C(N)=O ZINC000513807903 503026848 /nfs/dbraw/zinc/02/68/48/503026848.db2.gz KICPIKCPGDPDGH-VIFPVBQESA-N -1 3 350.827 3.264 20 0 FGADHM CC(C)n1cnc(S(=O)(=O)[N-]c2c(F)cccc2Br)c1 ZINC000513814303 503028337 /nfs/dbraw/zinc/02/83/37/503028337.db2.gz WFYKGWBMEZTKNO-UHFFFAOYSA-N -1 3 362.224 3.166 20 0 FGADHM CC1(C)C[C@@H]1C[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000489769316 503030674 /nfs/dbraw/zinc/03/06/74/503030674.db2.gz PERGZTYXOSVMLX-MRVPVSSYSA-N -1 3 352.681 3.427 20 0 FGADHM CC(C)[C@@H](O)C(C)(C)C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000513843768 503034727 /nfs/dbraw/zinc/03/47/27/503034727.db2.gz HJPJMVHWBCJZSU-CYBMUJFWSA-N -1 3 354.299 3.315 20 0 FGADHM CCC[C@H]([N-]S(=O)(=O)c1cc(C(=O)OC)co1)c1ccc(F)cc1F ZINC000513846779 503035887 /nfs/dbraw/zinc/03/58/87/503035887.db2.gz WOQCVFMGLXOIKI-AWEZNQCLSA-N -1 3 373.377 3.164 20 0 FGADHM COc1cc2c(cc1F)[n-]cc(C(=O)N[C@]1(C)C[C@H]1c1ccccc1)c2=O ZINC000506061280 503039763 /nfs/dbraw/zinc/03/97/63/503039763.db2.gz LQVYDFRDGDELJG-YCRPNKLZSA-N -1 3 366.392 3.352 20 0 FGADHM COc1cc(C(=O)Nc2ccc(-c3nccc(C)n3)cc2)cc(OC)c1[O-] ZINC000513955404 503054713 /nfs/dbraw/zinc/05/47/13/503054713.db2.gz BVMRCZQGGSRBBW-UHFFFAOYSA-N -1 3 365.389 3.427 20 0 FGADHM COC(=O)[C@@H]1Cc2ccccc2CN1Cc1ccc([O-])c2nc(C)ccc12 ZINC000513972899 503057913 /nfs/dbraw/zinc/05/79/13/503057913.db2.gz MDHJEZPJCXZAQN-IBGZPJMESA-N -1 3 362.429 3.349 20 0 FGADHM CCC(CC)(CCO)NC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000510216113 503072492 /nfs/dbraw/zinc/07/24/92/503072492.db2.gz XHKYMGGEEZOHRB-UHFFFAOYSA-N -1 3 358.442 3.220 20 0 FGADHM COc1c2cnn(C)c2ncc1C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000506239449 503075070 /nfs/dbraw/zinc/07/50/70/503075070.db2.gz VQBRUVZZYJAOEY-UHFFFAOYSA-N -1 3 354.410 3.232 20 0 FGADHM COc1cccc(-c2cc(NC(=O)c3c[n-]nc3-c3ccncc3)n(C)n2)c1 ZINC000489966635 503078029 /nfs/dbraw/zinc/07/80/29/503078029.db2.gz WSWODTKMEOXBAO-UHFFFAOYSA-N -1 3 374.404 3.133 20 0 FGADHM COc1cccc(-c2cc(NC(=O)c3cn[n-]c3-c3ccncc3)n(C)n2)c1 ZINC000489966635 503078033 /nfs/dbraw/zinc/07/80/33/503078033.db2.gz WSWODTKMEOXBAO-UHFFFAOYSA-N -1 3 374.404 3.133 20 0 FGADHM Cc1c(C(=O)[N-]c2nc(-c3cccs3)ns2)nnn1-c1ccccc1 ZINC000497974966 503078902 /nfs/dbraw/zinc/07/89/02/503078902.db2.gz JVOVAUNINMSPHX-UHFFFAOYSA-N -1 3 368.447 3.408 20 0 FGADHM O=C(Nc1cc(C(F)(F)F)ccc1[O-])c1ccc(NCC2CC2)nc1 ZINC000506264044 503081440 /nfs/dbraw/zinc/08/14/40/503081440.db2.gz MUQIIWNQYGLAEY-UHFFFAOYSA-N -1 3 351.328 3.302 20 0 FGADHM COc1cc(C(=O)N[C@H](C)[C@@H]2Oc3ccccc3[C@H]2C)cc(OC)c1[O-] ZINC000490059337 503101015 /nfs/dbraw/zinc/10/10/15/503101015.db2.gz JZCXUROVLPFKQV-HNYWDRBLSA-N -1 3 357.406 3.092 20 0 FGADHM COC(=O)c1c(C)nc(=O)[n-]c1S[C@@H](C)C(=O)c1ccc2c(c1)CCC2 ZINC000506414942 503111684 /nfs/dbraw/zinc/11/16/84/503111684.db2.gz FXZSHBMDODHRTN-NSHDSACASA-N -1 3 372.446 3.129 20 0 FGADHM CC(C)(C)c1ccc(NC(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)c([O-])c1 ZINC000501947731 503114628 /nfs/dbraw/zinc/11/46/28/503114628.db2.gz OJJYYLVGVKWRQF-HUUCEWRRSA-N -1 3 372.465 3.194 20 0 FGADHM C[C@@H]1COCC[C@@H]1C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000510536887 503137071 /nfs/dbraw/zinc/13/70/71/503137071.db2.gz ZABKNLMPVZOVMW-NXEZZACHSA-N -1 3 371.808 3.310 20 0 FGADHM CCC(=O)Nc1ccc([N-]S(=O)(=O)Cc2cc(C(C)(C)C)on2)cc1 ZINC000506612320 503142991 /nfs/dbraw/zinc/14/29/91/503142991.db2.gz NJOYZEBLZHPQGC-UHFFFAOYSA-N -1 3 365.455 3.263 20 0 FGADHM CCC[C@H](C(=O)Nc1nc2cccc(C(=O)OC)c2[n-]1)c1ccccn1 ZINC000502095375 503143333 /nfs/dbraw/zinc/14/33/33/503143333.db2.gz FWCSNDSFGXXWCU-LBPRGKRZSA-N -1 3 352.394 3.267 20 0 FGADHM CCC[C@H](C(=O)Nc1nc2c(cccc2C(=O)OC)[n-]1)c1ccccn1 ZINC000502095375 503143337 /nfs/dbraw/zinc/14/33/37/503143337.db2.gz FWCSNDSFGXXWCU-LBPRGKRZSA-N -1 3 352.394 3.267 20 0 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ZINC000537499662 503934100 /nfs/dbraw/zinc/93/41/00/503934100.db2.gz CHDQYGOJDWXLIL-UHFFFAOYSA-N -1 3 372.556 3.138 20 0 FGADHM COc1c(C[N-]S(=O)(=O)c2ccc3c(c2)CCCO3)oc2ccccc21 ZINC000530388431 503946593 /nfs/dbraw/zinc/94/65/93/503946593.db2.gz JOWARXIPJKVPGD-UHFFFAOYSA-N -1 3 373.430 3.245 20 0 FGADHM O=c1nc(Cc2noc(-c3cncc(F)c3)n2)[n-]c2scc(C3CC3)c21 ZINC000546988239 503948858 /nfs/dbraw/zinc/94/88/58/503948858.db2.gz YEKSWJYSWFLLKW-UHFFFAOYSA-N -1 3 369.381 3.449 20 0 FGADHM CC(C)C[C@H]([N-]S(=O)(=O)CCCC(F)(F)F)C(=O)OC(C)(C)C ZINC000537555070 503951751 /nfs/dbraw/zinc/95/17/51/503951751.db2.gz AVNOESIVARJQQZ-NSHDSACASA-N -1 3 361.426 3.005 20 0 FGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)c2cc(C)sc2C)c(F)c1 ZINC000530428849 503962475 /nfs/dbraw/zinc/96/24/75/503962475.db2.gz VGVYVSNKENTYML-SNVBAGLBSA-N -1 3 371.455 3.330 20 0 FGADHM Cc1cccc(C)c1OCc1nc(-c2ccc([N-]S(C)(=O)=O)cc2)no1 ZINC000547039696 503964836 /nfs/dbraw/zinc/96/48/36/503964836.db2.gz UFXQWWJRBNOLOU-UHFFFAOYSA-N -1 3 373.434 3.304 20 0 FGADHM COC(=O)c1csc(S(=O)(=O)[N-][C@H]2c3ccccc3CC[C@@H]2C)c1 ZINC000537593020 503966222 /nfs/dbraw/zinc/96/62/22/503966222.db2.gz ADLCTHUDIDYCLY-MEDUHNTESA-N -1 3 365.476 3.137 20 0 FGADHM CCS[C@@H](c1nc(-c2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)no1)C(C)C ZINC000547063914 503972519 /nfs/dbraw/zinc/97/25/19/503972519.db2.gz YHWJMVAFZRKLJU-ACJLOTCBSA-N -1 3 374.466 3.241 20 0 FGADHM CCc1ccc(-c2nc(-c3cccc([C@]4(C)NC(=O)[N-]C4=O)c3)no2)cc1 ZINC000547072724 503974435 /nfs/dbraw/zinc/97/44/35/503974435.db2.gz NAAFXBAKWRBZGR-FQEVSTJZSA-N -1 3 362.389 3.021 20 0 FGADHM O=C([N-]c1nnc(-c2ccccn2)s1)c1cncnc1-c1ccccc1 ZINC000544020660 503975655 /nfs/dbraw/zinc/97/56/55/503975655.db2.gz VCBQGPANHBBVAB-UHFFFAOYSA-N -1 3 360.402 3.309 20 0 FGADHM COc1ccc(OC)c(CCC[N-]S(=O)(=O)c2ccc(C)cc2F)c1 ZINC000533884269 503980103 /nfs/dbraw/zinc/98/01/03/503980103.db2.gz BDABJUDMMWOUQB-UHFFFAOYSA-N -1 3 367.442 3.062 20 0 FGADHM CCc1ccc([N-]S(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1C ZINC000537651446 503991662 /nfs/dbraw/zinc/99/16/62/503991662.db2.gz SSLFEKULYQUNEU-UHFFFAOYSA-N -1 3 358.463 3.485 20 0 FGADHM COC(=O)CCSc1ccc(-c2nc3ccc(F)cc3c(=O)[n-]2)cc1 ZINC000541088009 504002614 /nfs/dbraw/zinc/00/26/14/504002614.db2.gz RLXFAAHMOMXZKW-UHFFFAOYSA-N -1 3 358.394 3.384 20 0 FGADHM CS(=O)(=O)[N-]c1ccc(C(=O)N2CCC[C@@H](Cc3ccccc3)C2)cc1 ZINC000518506041 504003229 /nfs/dbraw/zinc/00/32/29/504003229.db2.gz ZFXRAQJFJWMADU-KRWDZBQOSA-N -1 3 372.490 3.153 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]Cc2nc(C)c3ccccc3n2)sc1Cl ZINC000530544463 504004530 /nfs/dbraw/zinc/00/45/30/504004530.db2.gz YHMZAJLGPYYLRJ-UHFFFAOYSA-N -1 3 367.883 3.440 20 0 FGADHM COc1ccccc1S(=O)(=O)[N-][C@@H](C1CCCCC1)C(F)(F)F ZINC000544105927 504008912 /nfs/dbraw/zinc/00/89/12/504008912.db2.gz UIPHKINCXOXHRO-AWEZNQCLSA-N -1 3 351.390 3.485 20 0 FGADHM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)ccc1OCCO ZINC000541125016 504017198 /nfs/dbraw/zinc/01/71/98/504017198.db2.gz ZQWBKHQJGRZGMM-UHFFFAOYSA-N -1 3 361.463 3.046 20 0 FGADHM CCN1CC[C@@H](NC(=O)c2cccc([O-])c2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000541167612 504028512 /nfs/dbraw/zinc/02/85/12/504028512.db2.gz WEXLBYUIYLJTDS-SJLPKXTDSA-N -1 3 364.367 3.375 20 0 FGADHM COc1ccc2c(c1)OC[C@@H]2CC(=O)N=c1cc(-c2ccccc2C)[n-][nH]1 ZINC000534079463 504034307 /nfs/dbraw/zinc/03/43/07/504034307.db2.gz QJFPUOLYSNVEFR-AWEZNQCLSA-N -1 3 363.417 3.320 20 0 FGADHM CN(C)c1cnccc1-c1noc(-c2ccc3c(c2[O-])OC(C)(C)C3)n1 ZINC000547261694 504038410 /nfs/dbraw/zinc/03/84/10/504038410.db2.gz FGIACQDSAZIITA-UHFFFAOYSA-N -1 3 352.394 3.284 20 0 FGADHM CCc1ccc([O-])c(C(=O)N[C@H](CO)c2ccc(Br)cc2)c1 ZINC000537782124 504039725 /nfs/dbraw/zinc/03/97/25/504039725.db2.gz SDPSHSGNJNEPEC-OAHLLOKOSA-N -1 3 364.239 3.181 20 0 FGADHM CN1CCC[C@H](CN=c2[n-]c(C(F)(F)F)c(Br)s2)C1 ZINC000518736179 504051389 /nfs/dbraw/zinc/05/13/89/504051389.db2.gz WOZFPNRHEXJMCR-SSDOTTSWSA-N -1 3 358.227 3.100 20 0 FGADHM CCCCS(=O)(=O)[N-]CC(=O)N(C)c1ccc(-c2ccccc2)cc1 ZINC000534147427 504054860 /nfs/dbraw/zinc/05/48/60/504054860.db2.gz USUORDXSYWMJJP-UHFFFAOYSA-N -1 3 360.479 3.036 20 0 FGADHM O=S(=O)([N-]C1(c2ccc(Cl)c(Cl)c2)CC1)c1cncc(F)c1 ZINC000547312535 504057047 /nfs/dbraw/zinc/05/70/47/504057047.db2.gz KZBSKSWFONXHEV-UHFFFAOYSA-N -1 3 361.225 3.495 20 0 FGADHM Cc1ncc(CNC(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)c(=O)[n-]1 ZINC000544245325 504059162 /nfs/dbraw/zinc/05/91/62/504059162.db2.gz GLXSRIBNEIXOHV-KRWDZBQOSA-N -1 3 358.417 3.360 20 0 FGADHM CC(C)[C@@H]1CCc2ccccc2[C@H]1NC(=O)CNC(=O)c1ccc([O-])cc1 ZINC000547325328 504062277 /nfs/dbraw/zinc/06/22/77/504062277.db2.gz KGHGOAKPPKHKFS-RXVVDRJESA-N -1 3 366.461 3.198 20 0 FGADHM Cc1ccc([O-])c(CN[C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)n1 ZINC000530730104 504067291 /nfs/dbraw/zinc/06/72/91/504067291.db2.gz BKDCZCRQAVNWLV-CYBMUJFWSA-N -1 3 365.355 3.010 20 0 FGADHM Cc1[n-][nH]c(=O)c1CCNC(=O)CCCc1cc(Cl)sc1Cl ZINC000530792429 504087804 /nfs/dbraw/zinc/08/78/04/504087804.db2.gz XOAQEURIHOELMX-JTQLQIEISA-N -1 3 362.282 3.006 20 0 FGADHM COc1cccc(C2(F)CCN(C(=O)c3cccc4[n-]nnc43)CC2)c1 ZINC000547402438 504092930 /nfs/dbraw/zinc/09/29/30/504092930.db2.gz WVGIBNKPGCJJFU-UHFFFAOYSA-N -1 3 354.385 3.068 20 0 FGADHM COc1cccc(C2(F)CCN(C(=O)c3cccc4nn[n-]c43)CC2)c1 ZINC000547402438 504092937 /nfs/dbraw/zinc/09/29/37/504092937.db2.gz WVGIBNKPGCJJFU-UHFFFAOYSA-N -1 3 354.385 3.068 20 0 FGADHM COc1cccc(C2(F)CCN(C(=O)c3cccc4n[n-]nc43)CC2)c1 ZINC000547402438 504092941 /nfs/dbraw/zinc/09/29/41/504092941.db2.gz WVGIBNKPGCJJFU-UHFFFAOYSA-N -1 3 354.385 3.068 20 0 FGADHM Cc1ncc(CNC(=O)N[C@@H](C)c2cccc(Cl)c2Cl)c(=O)[n-]1 ZINC000541336611 504095688 /nfs/dbraw/zinc/09/56/88/504095688.db2.gz PTKIAHYBWSKXTM-QMMMGPOBSA-N -1 3 355.225 3.358 20 0 FGADHM COc1cncc(S(=O)(=O)[N-][C@H](CC(F)(F)F)c2ccccc2C)c1 ZINC000544371550 504106358 /nfs/dbraw/zinc/10/63/58/504106358.db2.gz RHANZQQUKQTLRS-OAHLLOKOSA-N -1 3 374.384 3.371 20 0 FGADHM O=S(=O)([N-][C@@H]1[C@@H]2CCC[C@@H]21)c1ccc(Cl)cc1Br ZINC000544370853 504106474 /nfs/dbraw/zinc/10/64/74/504106474.db2.gz MGMFFLVNXNIYHS-BZBKMWRSSA-N -1 3 350.665 3.179 20 0 FGADHM CS[C@H](C)CCC(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000537998493 504106785 /nfs/dbraw/zinc/10/67/85/504106785.db2.gz PSJPZUQBFCMPCU-CYBMUJFWSA-N -1 3 350.484 3.101 20 0 FGADHM O=S(=O)([N-]C[C@H]1CCSC1)c1ccc(Cl)cc1Br ZINC000544371922 504107392 /nfs/dbraw/zinc/10/73/92/504107392.db2.gz WGUDDYKDSDSKBD-MRVPVSSYSA-N -1 3 370.721 3.134 20 0 FGADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@H]3CC(C)(C)OC3(C)C)cc2)n1 ZINC000528197308 504116347 /nfs/dbraw/zinc/11/63/47/504116347.db2.gz KXUSYIFHIFPLGA-OAHLLOKOSA-N -1 3 355.438 3.278 20 0 FGADHM CCc1nc2cc(S(=O)(=O)[N-][C@@](C)(C3CC3)C(F)(F)F)ccc2o1 ZINC000547495871 504126535 /nfs/dbraw/zinc/12/65/35/504126535.db2.gz PXMJZBNGFOIQHB-AWEZNQCLSA-N -1 3 362.373 3.400 20 0 FGADHM O=C(N=c1cc(-c2ccccc2)[n-][nH]1)c1cccnc1OCC(F)(F)F ZINC000519067688 504131088 /nfs/dbraw/zinc/13/10/88/504131088.db2.gz NBTQIDFIIYLBFL-UHFFFAOYSA-N -1 3 362.311 3.087 20 0 FGADHM O=S(=O)([N-]CCc1cnc(C2CC2)nc1)c1cccc(Cl)c1Cl ZINC000534409019 504133165 /nfs/dbraw/zinc/13/31/65/504133165.db2.gz JWAZQRRGSQXYNH-UHFFFAOYSA-N -1 3 372.277 3.182 20 0 FGADHM COc1cc(=NC(=O)NCCc2c(C)cc(C(C)(C)C)cc2C)[n-]n1C ZINC000547515412 504133638 /nfs/dbraw/zinc/13/36/38/504133638.db2.gz BDQZOPIOLXSZPZ-UHFFFAOYSA-N -1 3 358.486 3.129 20 0 FGADHM COc1cc(=NC(=O)NC[C@H](C)c2c(Cl)cccc2Cl)[n-]n1C ZINC000547514817 504134068 /nfs/dbraw/zinc/13/40/68/504134068.db2.gz VSAWPFKHSWBZFR-VIFPVBQESA-N -1 3 357.241 3.083 20 0 FGADHM O=C(COc1c(Cl)cccc1Cl)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000519099166 504139325 /nfs/dbraw/zinc/13/93/25/504139325.db2.gz CBHIVFXTNQPJEJ-UHFFFAOYSA-N -1 3 364.192 3.191 20 0 FGADHM O=C(COc1c(Cl)cccc1Cl)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000519099166 504139329 /nfs/dbraw/zinc/13/93/29/504139329.db2.gz CBHIVFXTNQPJEJ-UHFFFAOYSA-N -1 3 364.192 3.191 20 0 FGADHM CC1(C)C(NC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1(C)C ZINC000530983186 504151050 /nfs/dbraw/zinc/15/10/50/504151050.db2.gz ZCGDLIFUFWMPMR-UHFFFAOYSA-N -1 3 363.255 3.455 20 0 FGADHM C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)c2cc(F)c(F)c([O-])c2F)C1 ZINC000544507933 504156039 /nfs/dbraw/zinc/15/60/39/504156039.db2.gz QZAXHQNDZZCPOW-WCQYABFASA-N -1 3 364.367 3.375 20 0 FGADHM COc1cccc(OC(F)(F)F)c1S(=O)(=O)[N-][C@@H]1CCC[C@@H](C)C1 ZINC000528301759 504158122 /nfs/dbraw/zinc/15/81/22/504158122.db2.gz RACWIWXJLQKFTL-GHMZBOCLSA-N -1 3 367.389 3.451 20 0 FGADHM Cc1nn(C(C)C)cc1C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000519175478 504158239 /nfs/dbraw/zinc/15/82/39/504158239.db2.gz CDLMLQQOUUNXQF-UHFFFAOYSA-N -1 3 351.410 3.083 20 0 FGADHM Cc1ccc([O-])c(NC(=O)Cc2csc(NC(=O)c3cccs3)n2)n1 ZINC000541533017 504166114 /nfs/dbraw/zinc/16/61/14/504166114.db2.gz TZZGFIGUXLFZDL-UHFFFAOYSA-N -1 3 374.447 3.047 20 0 FGADHM Cn1cc(-c2c[nH]cc2C(=O)Nc2ccc(Br)cc2[O-])cn1 ZINC000547646993 504167983 /nfs/dbraw/zinc/16/79/83/504167983.db2.gz ZDZIYBVLVYMKKB-UHFFFAOYSA-N -1 3 361.199 3.136 20 0 FGADHM CCN(CC)CCSCC(=O)N=c1cc(-c2ccc(Cl)s2)[n-][nH]1 ZINC000534553022 504173028 /nfs/dbraw/zinc/17/30/28/504173028.db2.gz VZPWRUZBTPBAAZ-UHFFFAOYSA-N -1 3 372.947 3.227 20 0 FGADHM CCCS(=O)(=O)[N-]c1cc(NC(=O)c2cocc2C)c(F)cc1F ZINC000528368546 504191452 /nfs/dbraw/zinc/19/14/52/504191452.db2.gz YMUSMGAWMYKIOY-UHFFFAOYSA-N -1 3 358.366 3.270 20 0 FGADHM CN1CC[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2F)[C@@H]1c1ccccc1 ZINC000534642666 504200192 /nfs/dbraw/zinc/20/01/92/504200192.db2.gz SWVYYWUGWQKYFM-WBVHZDCISA-N -1 3 368.861 3.203 20 0 FGADHM CCc1cccc(C(=O)N2CCC(C(=O)Nc3ccc(O)cc3)CC2)c1[O-] ZINC000531193829 504221917 /nfs/dbraw/zinc/22/19/17/504221917.db2.gz XXCKEWZCEPWTCN-UHFFFAOYSA-N -1 3 368.433 3.151 20 0 FGADHM CC(C)S(=O)(=O)c1cccc(C(=O)Nc2cc(Cl)ccc2[O-])c1 ZINC000547779606 504222577 /nfs/dbraw/zinc/22/25/77/504222577.db2.gz LCPXCFCXDCTZSR-UHFFFAOYSA-N -1 3 353.827 3.480 20 0 FGADHM O=C(c1cc(=O)c2cc(Br)ccc2[n-]1)N1CCCC2(CC2)C1 ZINC000547784770 504224276 /nfs/dbraw/zinc/22/42/76/504224276.db2.gz SPCCKXIVHPOHEZ-UHFFFAOYSA-N -1 3 361.239 3.307 20 0 FGADHM O=S(=O)([N-]CC1CC=CC1)c1cccc(Cl)c1Br ZINC000528468282 504237558 /nfs/dbraw/zinc/23/75/58/504237558.db2.gz CBJZJIIOAUGZKT-UHFFFAOYSA-N -1 3 350.665 3.347 20 0 FGADHM CC1(c2ccccc2)CC([N-]S(=O)(=O)c2cnccc2C(F)(F)F)C1 ZINC000541761518 504244611 /nfs/dbraw/zinc/24/46/11/504244611.db2.gz BVEDOIJUKRSQKY-UHFFFAOYSA-N -1 3 370.396 3.499 20 0 FGADHM CCOC(=O)c1ccc(NC(=O)CCC(=O)c2ccc(C)cc2)c([O-])c1 ZINC000534825721 504252463 /nfs/dbraw/zinc/25/24/63/504252463.db2.gz DTQMGBOHYSFMBF-UHFFFAOYSA-N -1 3 355.390 3.479 20 0 FGADHM CC(C)(C)CCCS(=O)(=O)[N-]Cc1nnc(-c2ccccc2)s1 ZINC000519568602 504256873 /nfs/dbraw/zinc/25/68/73/504256873.db2.gz WAIWFLALZCYBIO-UHFFFAOYSA-N -1 3 353.513 3.451 20 0 FGADHM NC(=O)CSc1ccccc1[N-]C(=O)c1cnc(-c2cccnc2)s1 ZINC000534876404 504267743 /nfs/dbraw/zinc/26/77/43/504267743.db2.gz VZUFBNDRSHQLCZ-UHFFFAOYSA-N -1 3 370.459 3.035 20 0 FGADHM O=S(=O)([N-][C@@H]1C[C@H]1c1ccsc1)c1cc(F)ccc1OC(F)F ZINC000528546637 504268152 /nfs/dbraw/zinc/26/81/52/504268152.db2.gz UDCFWDVCNGQGGF-WDEREUQCSA-N -1 3 363.382 3.323 20 0 FGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1COc2ccc(C)cc21 ZINC000519614521 504274024 /nfs/dbraw/zinc/27/40/24/504274024.db2.gz FSCLLYKIYJIYRY-ZDUSSCGKSA-N -1 3 353.827 3.069 20 0 FGADHM Cc1nc(-c2ccc(NC(=O)NC[C@@H]3CCC(C)(C)O3)cc2)cc(=O)[n-]1 ZINC000547975339 504280302 /nfs/dbraw/zinc/28/03/02/504280302.db2.gz CUNPSKAQNPLXNB-HNNXBMFYSA-N -1 3 356.426 3.237 20 0 FGADHM O=C(NCC1(CCO)CCCC1)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000547984565 504283039 /nfs/dbraw/zinc/28/30/39/504283039.db2.gz BPYSTEAEWDJCFZ-UHFFFAOYSA-N -1 3 353.875 3.464 20 0 FGADHM CCCOc1ccc(CNC(=O)c2c[n-]nc2-c2ccccn2)c(C)c1 ZINC000519670111 504296543 /nfs/dbraw/zinc/29/65/43/504296543.db2.gz CAPCTEXLEXJCMB-UHFFFAOYSA-N -1 3 350.422 3.499 20 0 FGADHM Cc1ccc(-c2nc(-c3ccc([C@]4(C)NC(=O)[N-]C4=O)cc3)no2)c(C)c1 ZINC000544907793 504297166 /nfs/dbraw/zinc/29/71/66/504297166.db2.gz HTCBFSIRJDHNKT-FQEVSTJZSA-N -1 3 362.389 3.075 20 0 FGADHM C[C@]1(c2ccc(-c3noc(C=CC4CCCCC4)n3)cc2)NC(=O)[N-]C1=O ZINC000544913526 504298822 /nfs/dbraw/zinc/29/88/22/504298822.db2.gz GZVSDHIKOIHVAL-ACGJQVIASA-N -1 3 366.421 3.385 20 0 FGADHM C[C@@]1(c2ccc(-c3noc(C=CC4CCCCC4)n3)cc2)NC(=O)[N-]C1=O ZINC000544913527 504299099 /nfs/dbraw/zinc/29/90/99/504299099.db2.gz GZVSDHIKOIHVAL-BESKYLIDSA-N -1 3 366.421 3.385 20 0 FGADHM COc1ccc(CN(C)C)cc1[N-]S(=O)(=O)c1ccccc1SC ZINC000548040436 504308318 /nfs/dbraw/zinc/30/83/18/504308318.db2.gz VFWMPYJUYIAJLK-UHFFFAOYSA-N -1 3 366.508 3.280 20 0 FGADHM O=C([O-])c1ccc(Br)cc1CN1CC[C@H](C2CCOCC2)C1 ZINC000519700919 504309521 /nfs/dbraw/zinc/30/95/21/504309521.db2.gz FINOUXCIXMHYBM-ZDUSSCGKSA-N -1 3 368.271 3.396 20 0 FGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(NC(=O)[C@@H]2CCCC23CC3)ccc1F ZINC000528645198 504310801 /nfs/dbraw/zinc/31/08/01/504310801.db2.gz YYAGFHWKVUUGJN-ZDUSSCGKSA-N -1 3 368.474 3.421 20 0 FGADHM Cc1cccc(S(=O)(=O)[N-]Cc2cc(N(C)C)nc3ccccc23)c1F ZINC000541944266 504311531 /nfs/dbraw/zinc/31/15/31/504311531.db2.gz VEAGQUFVFCOVDI-UHFFFAOYSA-N -1 3 373.453 3.227 20 0 FGADHM CCOC(=O)c1[n-]c(C)nc1NC(=O)c1cccc([C@@H]2CCCOC2)c1 ZINC000535037264 504321967 /nfs/dbraw/zinc/32/19/67/504321967.db2.gz LLNKCGOYLDXLLP-OAHLLOKOSA-N -1 3 357.410 3.041 20 0 FGADHM CCOC(=O)c1nc(C)[n-]c1NC(=O)c1cccc([C@@H]2CCCOC2)c1 ZINC000535037264 504321970 /nfs/dbraw/zinc/32/19/70/504321970.db2.gz LLNKCGOYLDXLLP-OAHLLOKOSA-N -1 3 357.410 3.041 20 0 FGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(NC(=O)NC(C)(C)C2CC2)ccc1F ZINC000535038148 504323042 /nfs/dbraw/zinc/32/30/42/504323042.db2.gz GFYJSXOGPZIXTF-UHFFFAOYSA-N -1 3 371.478 3.213 20 0 FGADHM Cc1cc(-c2nc(C3CC3)no2)ccc1NC(=O)NCc1ncccc1[O-] ZINC000548089006 504324979 /nfs/dbraw/zinc/32/49/79/504324979.db2.gz LGFVHKCOTNSUPO-UHFFFAOYSA-N -1 3 365.393 3.345 20 0 FGADHM COc1cc(OC)cc(N(C)C(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)c1 ZINC000519767371 504332480 /nfs/dbraw/zinc/33/24/80/504332480.db2.gz SIRSMGYWXZNQKI-UHFFFAOYSA-N -1 3 370.380 3.269 20 0 FGADHM CS(=O)(=O)[N-]c1ccc(-c2noc(CCCOc3ccccc3)n2)cc1 ZINC000545022085 504332942 /nfs/dbraw/zinc/33/29/42/504332942.db2.gz CGMMIYRDIVZYGU-UHFFFAOYSA-N -1 3 373.434 3.120 20 0 FGADHM CS(=O)(=O)[N-]c1ccc(-c2noc(CCCc3cccs3)n2)cc1 ZINC000545022125 504333365 /nfs/dbraw/zinc/33/33/65/504333365.db2.gz FBSNMWWSBVHCCF-UHFFFAOYSA-N -1 3 363.464 3.345 20 0 FGADHM C[C@@H](Cc1noc(-c2ccc([N-]S(C)(=O)=O)cc2)n1)c1ccccc1 ZINC000545050781 504342108 /nfs/dbraw/zinc/34/21/08/504342108.db2.gz MOXYUDWSQDYKRJ-ZDUSSCGKSA-N -1 3 357.435 3.454 20 0 FGADHM C[C@H]1C[C@@H]1c1ccc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)nc2)o1 ZINC000542036839 504344347 /nfs/dbraw/zinc/34/43/47/504344347.db2.gz AUKWZLHWBUDPND-CABZTGNLSA-N -1 3 360.357 3.295 20 0 FGADHM COc1cc(=NC(=O)N2CCCCC[C@@H]2/C=C/c2cccs2)[n-]n1C ZINC000548166708 504355502 /nfs/dbraw/zinc/35/55/02/504355502.db2.gz IHTQMEGAFGVQAB-ATWMFIQVSA-N -1 3 360.483 3.402 20 0 FGADHM COc1cc(=NC(=O)N[C@@H](c2ccc(C(F)(F)F)cc2)C(C)C)[n-]n1C ZINC000548167361 504355749 /nfs/dbraw/zinc/35/57/49/504355749.db2.gz FNPOBNFMFLJNBK-OAHLLOKOSA-N -1 3 370.375 3.388 20 0 FGADHM CCOC(=O)c1[n-]c(C)nc1NC(=O)c1cccc(OC(F)(F)F)c1 ZINC000531669034 504387316 /nfs/dbraw/zinc/38/73/16/504387316.db2.gz LCUOUGUGCNIKQB-UHFFFAOYSA-N -1 3 357.288 3.046 20 0 FGADHM CCOC(=O)c1nc(C)[n-]c1NC(=O)c1cccc(OC(F)(F)F)c1 ZINC000531669034 504387318 /nfs/dbraw/zinc/38/73/18/504387318.db2.gz LCUOUGUGCNIKQB-UHFFFAOYSA-N -1 3 357.288 3.046 20 0 FGADHM CCc1ncc(S(=O)(=O)[N-][C@H]2CCCOc3cc(F)ccc32)s1 ZINC000545183440 504388646 /nfs/dbraw/zinc/38/86/46/504388646.db2.gz CBOAIWAKVROTHU-LBPRGKRZSA-N -1 3 356.444 3.037 20 0 FGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]2CCO[C@@H](C)C2)c1Cl ZINC000538848864 504391919 /nfs/dbraw/zinc/39/19/19/504391919.db2.gz VYUJEFFMTNVPLX-WDEREUQCSA-N -1 3 352.283 3.395 20 0 FGADHM O=C(c1cc([O-])cc(Br)c1)N1CCN(c2cccs2)CC1 ZINC000528819379 504398666 /nfs/dbraw/zinc/39/86/66/504398666.db2.gz XUXOCEFYUWXOIH-UHFFFAOYSA-N -1 3 367.268 3.179 20 0 FGADHM O=C(N[C@@H](CCO)C1CCCCC1)c1cc([O-])cc(Br)c1 ZINC000528840272 504409286 /nfs/dbraw/zinc/40/92/86/504409286.db2.gz MFAMKQGFVLNGAZ-HNNXBMFYSA-N -1 3 356.260 3.216 20 0 FGADHM CC[C@@H](C[N-]S(=O)(=O)c1ccc(F)cc1C(=O)OC)c1ccccc1 ZINC000535358758 504411494 /nfs/dbraw/zinc/41/14/94/504411494.db2.gz NRVFSGDZBYDDRP-ZDUSSCGKSA-N -1 3 365.426 3.084 20 0 FGADHM COc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](c2cccnc2)C2CC2)c1 ZINC000535363074 504413263 /nfs/dbraw/zinc/41/32/63/504413263.db2.gz DPAIGCJNSCIFPN-MRXNPFEDSA-N -1 3 352.843 3.173 20 0 FGADHM COc1ccc(S(=O)(=O)[N-][C@@H](C2CCCCC2)C(F)(F)F)cc1 ZINC000542240877 504418812 /nfs/dbraw/zinc/41/88/12/504418812.db2.gz DUOZEDXBRAGDGL-AWEZNQCLSA-N -1 3 351.390 3.485 20 0 FGADHM COC(=O)[C@@H]1CCCC[C@H]1C(=O)Nc1cc(Br)ccc1[O-] ZINC000545285743 504429415 /nfs/dbraw/zinc/42/94/15/504429415.db2.gz GTJGLWKISLQVHA-GHMZBOCLSA-N -1 3 356.216 3.073 20 0 FGADHM COC(=O)[C@@H]1CCCC[C@@H]1C(=O)Nc1cc(Br)ccc1[O-] ZINC000545285748 504429749 /nfs/dbraw/zinc/42/97/49/504429749.db2.gz GTJGLWKISLQVHA-WDEREUQCSA-N -1 3 356.216 3.073 20 0 FGADHM Cc1cc(C[N-]S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)no1 ZINC000520222076 504439218 /nfs/dbraw/zinc/43/92/18/504439218.db2.gz GJQXLXHEPUAQOR-UHFFFAOYSA-N -1 3 369.855 3.238 20 0 FGADHM CCOC(=O)c1cc(CC)sc1[N-]C(=O)c1cc(C(=O)OC)co1 ZINC000545339097 504449800 /nfs/dbraw/zinc/44/98/00/504449800.db2.gz SWCXBQMTPHJSLH-UHFFFAOYSA-N -1 3 351.380 3.119 20 0 FGADHM C[C@]1([N-]S(=O)(=O)c2csc(-c3ccccc3)n2)CCO[C@@H]1C1CC1 ZINC000542322475 504450453 /nfs/dbraw/zinc/45/04/53/504450453.db2.gz KUCJYMBXEZFHMQ-WBVHZDCISA-N -1 3 364.492 3.046 20 0 FGADHM CC(C)(C)OC(=O)C[C@H]1CCCN(C(=O)c2c[n-]c3ccccc3c2=O)C1 ZINC000531875776 504455995 /nfs/dbraw/zinc/45/59/95/504455995.db2.gz AACPLJWJBZAQFV-CQSZACIVSA-N -1 3 370.449 3.112 20 0 FGADHM COc1cc(=NC(=O)C2(c3ccc(Cl)c(Cl)c3)CCC2)[n-]n1C ZINC000548470904 504457096 /nfs/dbraw/zinc/45/70/96/504457096.db2.gz YMMJWXDRKDBFEM-UHFFFAOYSA-N -1 3 354.237 3.218 20 0 FGADHM CCOC(=O)c1ccc(NC(=O)CCc2cc(OC)cc(OC)c2)c([O-])c1 ZINC000535541481 504465057 /nfs/dbraw/zinc/46/50/57/504465057.db2.gz DMCDRQJCLLMLFS-UHFFFAOYSA-N -1 3 373.405 3.157 20 0 FGADHM COc1cc(=NC(=O)N[C@H](c2ccc(CC(C)C)cc2)C2CC2)[n-]n1C ZINC000548494392 504466374 /nfs/dbraw/zinc/46/63/74/504466374.db2.gz DCKZSALMULTZNG-LJQANCHMSA-N -1 3 356.470 3.322 20 0 FGADHM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccc(OCCO)cc2)c(C)c1C ZINC000520333272 504468625 /nfs/dbraw/zinc/46/86/25/504468625.db2.gz PLBBZLBXTQXROQ-UHFFFAOYSA-N -1 3 363.479 3.401 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@@H]2C[C@@]2(C)C(C)C)c1-c1ccc2c(c1)OCCO2 ZINC000548515711 504473842 /nfs/dbraw/zinc/47/38/42/504473842.db2.gz YQXFFUAUHPYQOS-XOBRGWDASA-N -1 3 355.438 3.199 20 0 FGADHM Cc1cc(C)c2[n-]cc(C(=O)N3CCC[C@@H]([C@@H]4CCOC4)C3)c(=O)c2c1 ZINC000548515690 504474226 /nfs/dbraw/zinc/47/42/26/504474226.db2.gz WZBYWTOAAYDWML-HZPDHXFCSA-N -1 3 354.450 3.034 20 0 FGADHM COCc1nc(C(=O)[N-]c2nc(-c3ccccc3)c(NC(C)=O)s2)co1 ZINC000548517960 504475289 /nfs/dbraw/zinc/47/52/89/504475289.db2.gz PWCCPYOJVZSWDG-UHFFFAOYSA-N -1 3 372.406 3.155 20 0 FGADHM Cc1cc(-c2noc([C@@H](C)[N-]S(=O)(=O)CC3CCCC3)n2)ccc1F ZINC000531940696 504482140 /nfs/dbraw/zinc/48/21/40/504482140.db2.gz NQBIDCTWGFTQJY-GFCCVEGCSA-N -1 3 367.446 3.355 20 0 FGADHM CC(C)CCN(CCC(C)C)C(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000520380103 504484123 /nfs/dbraw/zinc/48/41/23/504484123.db2.gz JZVBTATYCLIIEG-HNNXBMFYSA-N -1 3 374.572 3.336 20 0 FGADHM CN1CC=C(C[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)CC1 ZINC000545466077 504497357 /nfs/dbraw/zinc/49/73/57/504497357.db2.gz SWPIYTMIPDXDNC-UHFFFAOYSA-N -1 3 369.701 3.187 20 0 FGADHM Cc1ccc([O-])c(NC(=O)C2CCC(NC(=O)CC3CCCC3)CC2)n1 ZINC000542461446 504499245 /nfs/dbraw/zinc/49/92/45/504499245.db2.gz BVTRWNNIAUSRIS-UHFFFAOYSA-N -1 3 359.470 3.289 20 0 FGADHM O=S(=O)([N-]CCCC1CC1)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000548621078 504499720 /nfs/dbraw/zinc/49/97/20/504499720.db2.gz VOUPHPYDQXQBJR-AWEZNQCLSA-N -1 3 373.902 3.224 20 0 FGADHM CO[C@@H]1CCC[C@H]1C[N-]S(=O)(=O)c1ccc(-c2csc(C)n2)s1 ZINC000539221208 504501158 /nfs/dbraw/zinc/50/11/58/504501158.db2.gz OLMIBPPRTUBSCK-WCQYABFASA-N -1 3 372.537 3.273 20 0 FGADHM CC(=O)c1cccc(NC(=O)C2(c3cccc(F)c3)CCOCC2)c1[O-] ZINC000520451866 504502602 /nfs/dbraw/zinc/50/26/02/504502602.db2.gz AGZWWKGHHHFJGU-UHFFFAOYSA-N -1 3 357.381 3.421 20 0 FGADHM Cc1cnc(C(=O)N2CC[C@]3(C2)CCCN(Cc2ccccc2)C3)c([O-])c1 ZINC000548633810 504503500 /nfs/dbraw/zinc/50/35/00/504503500.db2.gz LRXSVWRBNZSZCC-JOCHJYFZSA-N -1 3 365.477 3.224 20 0 FGADHM COC(=O)c1cc(C(C)(C)NCc2ccc([O-])c3nc(C)ccc23)no1 ZINC000520462527 504505611 /nfs/dbraw/zinc/50/56/11/504505611.db2.gz UZAPPTQTWBZNCE-UHFFFAOYSA-N -1 3 355.394 3.048 20 0 FGADHM Cc1ccc2[n-]cc(C(=O)Nc3ccccc3O[C@@H]3CCOC3)c(=O)c2c1 ZINC000542492100 504511315 /nfs/dbraw/zinc/51/13/15/504511315.db2.gz CNHUFMFUTASWNP-CQSZACIVSA-N -1 3 364.401 3.257 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)c3cnc4ccsc4c3)[n-]c21 ZINC000535729629 504522057 /nfs/dbraw/zinc/52/20/57/504522057.db2.gz IDMFJHRIRVVDHL-UHFFFAOYSA-N -1 3 352.375 3.212 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cnc4ccsc4c3)nc21 ZINC000535729629 504522064 /nfs/dbraw/zinc/52/20/64/504522064.db2.gz IDMFJHRIRVVDHL-UHFFFAOYSA-N -1 3 352.375 3.212 20 0 FGADHM CS(=O)(=O)[N-]c1ccc(-c2noc(-c3cccc(F)c3F)n2)cc1 ZINC000545590200 504534568 /nfs/dbraw/zinc/53/45/68/504534568.db2.gz IVADCWBNSGCSBJ-UHFFFAOYSA-N -1 3 351.334 3.053 20 0 FGADHM Cc1nc(CNC(=O)Cc2ccc(Br)cc2[O-])sc1C ZINC000548732974 504546542 /nfs/dbraw/zinc/54/65/42/504546542.db2.gz UTGYEHYKFNBTIG-UHFFFAOYSA-N -1 3 355.257 3.087 20 0 FGADHM C[C@@H](Cc1nc(-c2ccc([N-]S(C)(=O)=O)cc2)no1)c1ccccc1 ZINC000545596108 504536502 /nfs/dbraw/zinc/53/65/02/504536502.db2.gz PQYSYQUUSLJOCP-ZDUSSCGKSA-N -1 3 357.435 3.454 20 0 FGADHM CC(C)C[C@@]1(CO)CCCN1C(=O)c1cc([O-])cc(Br)c1 ZINC000529134485 504547854 /nfs/dbraw/zinc/54/78/54/504547854.db2.gz ARQXTINBBYICFM-MRXNPFEDSA-N -1 3 356.260 3.168 20 0 FGADHM CCOc1ccc(Cc2nc(-c3ccc([N-]S(C)(=O)=O)cc3)no2)cc1 ZINC000545604913 504539562 /nfs/dbraw/zinc/53/95/62/504539562.db2.gz MIDMOICVAPSIHD-UHFFFAOYSA-N -1 3 373.434 3.098 20 0 FGADHM Cc1cc(F)cc(-c2noc(CS(=O)(=O)[N-]C3CCC(C)CC3)n2)c1 ZINC000545617665 504543610 /nfs/dbraw/zinc/54/36/10/504543610.db2.gz QSPYQDBJZSORCW-UHFFFAOYSA-N -1 3 367.446 3.182 20 0 FGADHM O=C(CNC(=O)c1ccc([O-])cc1)NCCc1cccc(-c2ccccc2)c1 ZINC000532127961 504544381 /nfs/dbraw/zinc/54/43/81/504544381.db2.gz CVFMIJRWLYSXMN-UHFFFAOYSA-N -1 3 374.440 3.148 20 0 FGADHM C[C@@H]1CCC[C@@H](c2noc(CC[N-]S(=O)(=O)c3ccccc3F)n2)C1 ZINC000545640602 504549746 /nfs/dbraw/zinc/54/97/46/504549746.db2.gz BJLDRBVKVZUAPX-CHWSQXEVSA-N -1 3 367.446 3.023 20 0 FGADHM CC(C)c1cccc(-n2cc([O-])c(C(=O)N(C)[C@@H]3CCN(C4CC4)C3)n2)c1 ZINC000532149027 504551339 /nfs/dbraw/zinc/55/13/39/504551339.db2.gz GCCVAVODRPZGFS-GOSISDBHSA-N -1 3 368.481 3.010 20 0 FGADHM O=C(N=c1cc2ccccn2[n-]1)N(CCc1ccccc1)Cc1cccnc1 ZINC000548763001 504556315 /nfs/dbraw/zinc/55/63/15/504556315.db2.gz IEIQCKKWCZSTHV-UHFFFAOYSA-N -1 3 371.444 3.428 20 0 FGADHM CCOc1ccc([C@H](C)NC(=O)N=c2cc3ccccn3[n-]2)cc1OCC ZINC000548763383 504556363 /nfs/dbraw/zinc/55/63/63/504556363.db2.gz WSBANFXIJZUHPM-AWEZNQCLSA-N -1 3 368.437 3.436 20 0 FGADHM CCOc1ccc(Cl)cc1CC[N-]S(=O)(=O)c1cnc(C)s1 ZINC000535897392 504576162 /nfs/dbraw/zinc/57/61/62/504576162.db2.gz STNGIVFHOXPTDO-UHFFFAOYSA-N -1 3 360.888 3.025 20 0 FGADHM O=C(Nc1ccc(O[C@H]2CCCC[C@@H]2O)cc1)c1cc(F)cc2[n-]nnc21 ZINC000548812695 504577099 /nfs/dbraw/zinc/57/70/99/504577099.db2.gz UINMKELKGIELBW-IRXDYDNUSA-N -1 3 370.384 3.032 20 0 FGADHM O=C(Nc1ccc(O[C@H]2CCCC[C@@H]2O)cc1)c1cc(F)cc2nn[n-]c21 ZINC000548812695 504577104 /nfs/dbraw/zinc/57/71/04/504577104.db2.gz UINMKELKGIELBW-IRXDYDNUSA-N -1 3 370.384 3.032 20 0 FGADHM O=C(Nc1ccc(O[C@H]2CCCC[C@@H]2O)cc1)c1cc(F)cc2n[n-]nc21 ZINC000548812695 504577107 /nfs/dbraw/zinc/57/71/07/504577107.db2.gz UINMKELKGIELBW-IRXDYDNUSA-N -1 3 370.384 3.032 20 0 FGADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)NC1(Cc2ccccc2)CCCC1 ZINC000542719532 504587351 /nfs/dbraw/zinc/58/73/51/504587351.db2.gz CQJGMFKGVPTFKV-UHFFFAOYSA-N -1 3 363.417 3.247 20 0 FGADHM CCOc1cc2c(cc1C=Cc1nc(-c3cc(=O)[n-]cn3)no1)O[C@@H](C)C2 ZINC000520811763 504588979 /nfs/dbraw/zinc/58/89/79/504588979.db2.gz TVLZPPLVELTEEE-WYGGZMRJSA-N -1 3 366.377 3.125 20 0 FGADHM CC(C)Cc1ncc(NC(=O)c2cc([O-])cc(Br)c2)cn1 ZINC000529221690 504590908 /nfs/dbraw/zinc/59/09/08/504590908.db2.gz KNMXFXRKXLEBGQ-UHFFFAOYSA-N -1 3 350.216 3.396 20 0 FGADHM COc1ccc(CNC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)c(F)c1 ZINC000532281400 504598296 /nfs/dbraw/zinc/59/82/96/504598296.db2.gz ANQLIMWDHRKADK-UHFFFAOYSA-N -1 3 358.344 3.053 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3nc4c(cccc4F)n3C)c[n-]c12 ZINC000532282964 504598671 /nfs/dbraw/zinc/59/86/71/504598671.db2.gz VSUIKEAUIXSTSU-UHFFFAOYSA-N -1 3 368.343 3.254 20 0 FGADHM C[C@@H]1CCC[C@H](Cc2nc(-c3cccc([C@@]4(C)NC(=O)[N-]C4=O)c3)no2)C1 ZINC000545797725 504599507 /nfs/dbraw/zinc/59/95/07/504599507.db2.gz HDMXEANNTRNVKW-MTJIALIYSA-N -1 3 368.437 3.160 20 0 FGADHM 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CCOC(=O)Cc1cccc(S(=O)(=O)[N-]c2cccc(F)c2Cl)c1 ZINC000561771273 505433905 /nfs/dbraw/zinc/43/39/05/505433905.db2.gz VMSCGUOFDAZUEO-UHFFFAOYSA-N -1 3 371.817 3.386 20 0 FGADHM C[C@H]1CCC[C@H](OCCCCCC(=O)N2CCc3c(nc[n-]c3=O)C2)C1 ZINC000564501164 505435192 /nfs/dbraw/zinc/43/51/92/505435192.db2.gz XUGUEQMEVFUYRQ-HOTGVXAUSA-N -1 3 361.486 3.223 20 0 FGADHM CN(C)C(=O)c1ccc(NC(=O)c2cc(C(F)(F)F)n[n-]2)cc1Cl ZINC000555547321 505453205 /nfs/dbraw/zinc/45/32/05/505453205.db2.gz JMUMPPMMISRLMA-UHFFFAOYSA-N -1 3 360.723 3.036 20 0 FGADHM CN(C)C(=O)c1ccc(NC(=O)c2cc(C(F)(F)F)[n-]n2)cc1Cl ZINC000555547321 505453206 /nfs/dbraw/zinc/45/32/06/505453206.db2.gz JMUMPPMMISRLMA-UHFFFAOYSA-N -1 3 360.723 3.036 20 0 FGADHM COc1ccc2c(c1)C1(CC1)CN(C(=O)NCc1ccc([O-])c(F)c1)C2 ZINC000567436765 505461884 /nfs/dbraw/zinc/46/18/84/505461884.db2.gz ZYLUFLUKDLGYQF-UHFFFAOYSA-N -1 3 356.397 3.297 20 0 FGADHM O=S(=O)([N-][C@H]1CCO[C@@H]1c1ccccc1)c1cc(F)cc(Cl)c1 ZINC000555610470 505473882 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FGADHM COc1cc([C@H]2NC(=O)c3ccccc3N2C)cc(Br)c1[O-] ZINC000612274935 506505432 /nfs/dbraw/zinc/50/54/32/506505432.db2.gz VFAKRIYWTGQZCB-HNNXBMFYSA-N -1 3 363.211 3.042 20 0 FGADHM COCCCOc1ccc(-c2ccc(S([O-])=CC(=O)OC)cc2)cc1 ZINC000596645009 506506584 /nfs/dbraw/zinc/50/65/84/506506584.db2.gz UEUDOOPPNKLJJC-RUZDIDTESA-N -1 3 362.447 3.050 20 0 FGADHM CC(C)OC(=O)C[C@H](NC(=O)c1ccc2[nH][n-]c(=O)c2c1)c1ccccc1 ZINC000596686647 506537946 /nfs/dbraw/zinc/53/79/46/506537946.db2.gz FXTSSMPYJDHRBA-KRWDZBQOSA-N -1 3 367.405 3.081 20 0 FGADHM Cc1nnc2ccc(C(=O)N=c3[nH][n-]c(C)c3-c3cccc(Cl)c3)cn12 ZINC000608468913 506578201 /nfs/dbraw/zinc/57/82/01/506578201.db2.gz GXURMHOAKJSMAQ-UHFFFAOYSA-N -1 3 366.812 3.064 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)[C@@H](C)OCc3ccccc3C)[n-]c21 ZINC000599703773 506593384 /nfs/dbraw/zinc/59/33/84/506593384.db2.gz ARRCNNBHDHNZAW-CYBMUJFWSA-N -1 3 367.405 3.202 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@@H](C)OCc3ccccc3C)nc21 ZINC000599703773 506593392 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CC(C)=CCC[C@H](C)CC(=O)Nc1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000583205368 506648819 /nfs/dbraw/zinc/64/88/19/506648819.db2.gz POFIPGOBTICBTQ-VBKZILBWSA-N -1 3 357.454 3.452 20 0 FGADHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1ccc(-c2ccc(C)cc2)cc1F ZINC000603889017 506650064 /nfs/dbraw/zinc/65/00/64/506650064.db2.gz IARMHIGMQOLNDI-MRXNPFEDSA-N -1 3 353.397 3.043 20 0 FGADHM Cc1cccc2c1CCCN2C(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000603926400 506660041 /nfs/dbraw/zinc/66/00/41/506660041.db2.gz WFLOPSGHLDRQID-UHFFFAOYSA-N -1 3 362.426 3.099 20 0 FGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CC[C@@H]3CCCC[C@H]3C2)s1 ZINC000603957429 506671326 /nfs/dbraw/zinc/67/13/26/506671326.db2.gz DFLGQBGZZVNEOI-RWMBFGLXSA-N -1 3 357.497 3.172 20 0 FGADHM O=C(N=c1cc(-c2cccc(Cl)c2)[n-][nH]1)c1cccc2c1OCCO2 ZINC000604082391 506708962 /nfs/dbraw/zinc/70/89/62/506708962.db2.gz ALHKTCAOONWGIU-UHFFFAOYSA-N -1 3 355.781 3.176 20 0 FGADHM Cc1nc(-c2ccc(NC(=O)NC[C@@H](O)C3CCCCC3)cc2)cc(=O)[n-]1 ZINC000590081985 506729906 /nfs/dbraw/zinc/72/99/06/506729906.db2.gz WKQFARPLIMSEAY-GOSISDBHSA-N -1 3 370.453 3.220 20 0 FGADHM CC(=O)c1cccc(NC(=O)c2ccc(C(=O)OC(C)(C)C)nc2)c1[O-] ZINC000593706828 506742610 /nfs/dbraw/zinc/74/26/10/506742610.db2.gz GQHSEIYHLUCMQO-UHFFFAOYSA-N -1 3 356.378 3.197 20 0 FGADHM C[C@@H](CN(C)C(=O)c1cc([O-])cc(Br)c1)C(=O)OC(C)(C)C ZINC000600008494 506745421 /nfs/dbraw/zinc/74/54/21/506745421.db2.gz MSKMBZUFEASREM-JTQLQIEISA-N -1 3 372.259 3.205 20 0 FGADHM C[C@@H](C(=O)[O-])[C@H](C)NCc1ccc(I)cc1Cl ZINC000593730226 506752857 /nfs/dbraw/zinc/75/28/57/506752857.db2.gz LYJDGIYOBKBHMK-SFYZADRCSA-N -1 3 367.614 3.143 20 0 FGADHM CC(C)(C)OC(=O)CN(CC1CC1)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000593819198 506789419 /nfs/dbraw/zinc/78/94/19/506789419.db2.gz DHFVPFGQLRXEPG-UHFFFAOYSA-N -1 3 365.445 3.434 20 0 FGADHM CCOC(=O)c1cccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2F)c1 ZINC000609219196 506816985 /nfs/dbraw/zinc/81/69/85/506816985.db2.gz SDDRRBFGSROCGV-UHFFFAOYSA-N -1 3 359.325 3.081 20 0 FGADHM CCOC(=O)c1c2c(sc1[N-]C(=O)c1snnc1C)C[C@@H](C)CC2 ZINC000604468113 506839187 /nfs/dbraw/zinc/83/91/87/506839187.db2.gz RSAQOCKTJHBBMY-QMMMGPOBSA-N -1 3 365.480 3.462 20 0 FGADHM O=C(CSCc1cccnc1)N=c1cc(-c2cccc(Cl)c2)[n-][nH]1 ZINC000604521987 506861103 /nfs/dbraw/zinc/86/11/03/506861103.db2.gz AVYXAJILWBDOHS-UHFFFAOYSA-N -1 3 358.854 3.419 20 0 FGADHM O=C(Nc1cc(C(F)(F)F)ccc1[O-])[C@H]1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000613031118 506874232 /nfs/dbraw/zinc/87/42/32/506874232.db2.gz UXBBCBFJKJYECL-SDDRHHMPSA-N -1 3 356.344 3.044 20 0 FGADHM CCC[C@@H]1CCCC[C@@H]1NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000590639425 506893252 /nfs/dbraw/zinc/89/32/52/506893252.db2.gz UAUUGRQIXHBOLN-APWZRJJASA-N -1 3 373.497 3.219 20 0 FGADHM [O-]c1ccc(CCCc2nc(-c3cccc(-n4cccn4)n3)no2)cc1F ZINC000583659726 506899277 /nfs/dbraw/zinc/89/92/77/506899277.db2.gz KHCIWGOEZVBHIX-UHFFFAOYSA-N -1 3 365.368 3.337 20 0 FGADHM CC(=O)c1ccc(C(=O)N2CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C2)cc1[O-] ZINC000600359839 506923186 /nfs/dbraw/zinc/92/31/86/506923186.db2.gz SRHWIEQDSGIGFW-IUODEOHRSA-N -1 3 361.438 3.035 20 0 FGADHM COc1ccnc(C(=O)N=c2cc(-c3cc(Cl)cc(Cl)c3)[n-][nH]2)c1 ZINC000604786724 506942922 /nfs/dbraw/zinc/94/29/22/506942922.db2.gz HYCHDJQXRFIYDI-UHFFFAOYSA-N -1 3 363.204 3.461 20 0 FGADHM COC(=O)[C@H](C)N(Cc1ccccc1)C(=O)c1cc(SC)ccc1[O-] ZINC000597456522 506961560 /nfs/dbraw/zinc/96/15/60/506961560.db2.gz DWCKWIJOEDUYCF-ZDUSSCGKSA-N -1 3 359.447 3.318 20 0 FGADHM CCC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(OC)c(C)c2C)cc1 ZINC000604971655 507012783 /nfs/dbraw/zinc/01/27/83/507012783.db2.gz HJWCSZFVXKDQQR-UHFFFAOYSA-N -1 3 362.451 3.461 20 0 FGADHM COC(=O)CCCc1nc(CSCc2cc([O-])ccc2Cl)no1 ZINC000600620651 507034998 /nfs/dbraw/zinc/03/49/98/507034998.db2.gz HFHPCXVHLBDSAP-UHFFFAOYSA-N -1 3 356.831 3.358 20 0 FGADHM COC(=O)C1(CS(=O)(=O)[N-]c2ccc3occc3c2)CCCCC1 ZINC000600663481 507054419 /nfs/dbraw/zinc/05/44/19/507054419.db2.gz CBHMANZQQQBODL-UHFFFAOYSA-N -1 3 351.424 3.298 20 0 FGADHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-][C@H]2CCC[C@H](C(C)C)C2)s1 ZINC000590948868 507054927 /nfs/dbraw/zinc/05/49/27/507054927.db2.gz CTEQBMHIFZQWEU-SNPRPXQTSA-N -1 3 372.556 3.438 20 0 FGADHM CO[C@@H](CS(=O)(=O)[N-]c1cc(F)c(F)cc1N1CCCCC1)C1CC1 ZINC000583934820 507059099 /nfs/dbraw/zinc/05/90/99/507059099.db2.gz XONSVJVSFQKHLJ-KRWDZBQOSA-N -1 3 374.453 3.122 20 0 FGADHM C[C@H]1CN(Cc2nc(=O)c3cc(-c4ccccc4)sc3[n-]2)CC[S@]1=O ZINC000610081510 507092741 /nfs/dbraw/zinc/09/27/41/507092741.db2.gz CHXCSWYUZMVZEE-UOXLDJKESA-N -1 3 373.503 3.017 20 0 FGADHM COc1cc(CN2CCc3ccccc3[C@H]2C(=O)[O-])ccc1OC(F)F ZINC000584033710 507113226 /nfs/dbraw/zinc/11/32/26/507113226.db2.gz DGDJTTMHWIQNMV-KRWDZBQOSA-N -1 3 363.360 3.481 20 0 FGADHM C[C@H](NC(=O)c1ccc2n[n-]nc2c1)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC000594402533 507116810 /nfs/dbraw/zinc/11/68/10/507116810.db2.gz ZOILTPZHJKCIIT-FPMFFAJLSA-N -1 3 372.469 3.080 20 0 FGADHM COC(=O)c1cc(C)nc2nc(SCC34CCC(CC3)C4)[n-]c(=O)c12 ZINC000591126450 507123875 /nfs/dbraw/zinc/12/38/75/507123875.db2.gz NJWWJIMPDBWCIN-UHFFFAOYSA-N -1 3 359.451 3.498 20 0 FGADHM COc1ccc2c(c1)[n-]cc(C(=O)Nc1cccc(NC(C)=O)c1C)c2=O ZINC000613509221 507124696 /nfs/dbraw/zinc/12/46/96/507124696.db2.gz OMITYSSDKAJIDZ-UHFFFAOYSA-N -1 3 365.389 3.056 20 0 FGADHM COc1ccc2c(c1)ncc(C(=O)Nc1cccc(NC(C)=O)c1C)c2[O-] ZINC000613509221 507124701 /nfs/dbraw/zinc/12/47/01/507124701.db2.gz OMITYSSDKAJIDZ-UHFFFAOYSA-N -1 3 365.389 3.056 20 0 FGADHM COC(=O)c1ccc(F)c([N-]C(=O)c2ncsc2Br)c1 ZINC000584074798 507137207 /nfs/dbraw/zinc/13/72/07/507137207.db2.gz FEQMRJGIQJBHAR-UHFFFAOYSA-N -1 3 359.176 3.084 20 0 FGADHM CC[C@@H]([N-]S(=O)(=O)c1ccsc1C(=O)OC)c1ccccc1F ZINC000594472027 507146243 /nfs/dbraw/zinc/14/62/43/507146243.db2.gz UITHRTMAWAZZKV-GFCCVEGCSA-N -1 3 357.428 3.103 20 0 FGADHM CS(=O)(=O)[N-]c1ccc(C(=O)N[C@H](c2ccccc2)C2CCC2)cc1 ZINC000591217048 507158529 /nfs/dbraw/zinc/15/85/29/507158529.db2.gz UAWADXJBKDZXGF-GOSISDBHSA-N -1 3 358.463 3.329 20 0 FGADHM CCOC(=O)c1ccc(NC(=O)c2cccc(OCCCOC)c2)c([O-])c1 ZINC000610339673 507200986 /nfs/dbraw/zinc/20/09/86/507200986.db2.gz DXYFZNYZNNZDDK-UHFFFAOYSA-N -1 3 373.405 3.237 20 0 FGADHM COc1cccc(CN[C@@H](CSCCc2ccccc2)C(=O)[O-])c1F ZINC000591351657 507216794 /nfs/dbraw/zinc/21/67/94/507216794.db2.gz IPLOOTFGZRQDJU-INIZCTEOSA-N -1 3 363.454 3.353 20 0 FGADHM CCOC(=O)c1[n-]c(C)nc1NC(=O)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000610388298 507221922 /nfs/dbraw/zinc/22/19/22/507221922.db2.gz YXMOSPRZTFRPNX-MGPUTAFESA-N -1 3 353.422 3.128 20 0 FGADHM CCOC(=O)c1nc(C)[n-]c1NC(=O)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000610388298 507221928 /nfs/dbraw/zinc/22/19/28/507221928.db2.gz YXMOSPRZTFRPNX-MGPUTAFESA-N -1 3 353.422 3.128 20 0 FGADHM CN(Cc1ccc(Cl)cc1Cl)C(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000591419814 507242723 /nfs/dbraw/zinc/24/27/23/507242723.db2.gz IERWCCIBOBQLGP-UHFFFAOYSA-N -1 3 363.200 3.149 20 0 FGADHM C[S@@](=O)c1cccc(C(=O)Nc2ccc(Br)cc2[O-])c1 ZINC000613772547 507251352 /nfs/dbraw/zinc/25/13/52/507251352.db2.gz BEZMLPHZFIXKRF-HXUWFJFHSA-N -1 3 354.225 3.144 20 0 FGADHM CCCC[C@@H](COC)[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000605588194 507252373 /nfs/dbraw/zinc/25/23/73/507252373.db2.gz DZZOPQYECMMTLM-AWEZNQCLSA-N -1 3 354.497 3.294 20 0 FGADHM CC1(C)Oc2ccc([N-]S(=O)(=O)CCOc3ccc(F)cc3)cc2O1 ZINC000605613820 507259408 /nfs/dbraw/zinc/25/94/08/507259408.db2.gz BKLORGIFBJRELW-UHFFFAOYSA-N -1 3 367.398 3.154 20 0 FGADHM CCC[C@@H](C(=O)OCC)n1ccc(=NC(=O)c2cc3ccsc3[n-]2)[nH]1 ZINC000598111447 507262055 /nfs/dbraw/zinc/26/20/55/507262055.db2.gz HPQDOBRROALALA-ZDUSSCGKSA-N -1 3 360.439 3.004 20 0 FGADHM O=S(=O)([N-][C@H](c1ccc(F)cc1)c1ccccc1Cl)c1c[nH]cn1 ZINC000605778591 507285219 /nfs/dbraw/zinc/28/52/19/507285219.db2.gz GWZKUVJFCVPREC-MRXNPFEDSA-N -1 3 365.817 3.270 20 0 FGADHM O=S(=O)([N-][C@@H](c1ccc(F)cc1)c1ccccc1Cl)c1c[nH]cn1 ZINC000605778582 507285349 /nfs/dbraw/zinc/28/53/49/507285349.db2.gz GWZKUVJFCVPREC-INIZCTEOSA-N -1 3 365.817 3.270 20 0 FGADHM COC(=O)c1cc(C)nc2nc(SC[C@@H]3CC[C@@H]4C[C@@H]4C3)[n-]c(=O)c12 ZINC000594887726 507303890 /nfs/dbraw/zinc/30/38/90/507303890.db2.gz QSCDGTLIDWNYGM-UTUOFQBUSA-N -1 3 359.451 3.354 20 0 FGADHM CC[C@@H](Nc1ccccc1)C(=O)N=c1cc(-c2ccccc2OC)[n-][nH]1 ZINC000591827855 507381538 /nfs/dbraw/zinc/38/15/38/507381538.db2.gz IKFDVBXMJUQRCN-MRXNPFEDSA-N -1 3 350.422 3.336 20 0 FGADHM COC(=O)c1ccc(C(=O)N=c2cc(-c3cccc(Cl)c3)[n-][nH]2)cc1F ZINC000610877594 507427375 /nfs/dbraw/zinc/42/73/75/507427375.db2.gz HPLBUSHGNQDGCD-UHFFFAOYSA-N -1 3 373.771 3.330 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)c1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC000606537054 507438088 /nfs/dbraw/zinc/43/80/88/507438088.db2.gz ASUNDNMCLAPITC-UHFFFAOYSA-N -1 3 369.371 3.275 20 0 FGADHM COC(=O)C1CCC([N-]S(=O)(=O)c2cc3cccc(C)c3s2)CC1 ZINC000592026613 507457470 /nfs/dbraw/zinc/45/74/70/507457470.db2.gz CVNORBMAKHRLLI-UHFFFAOYSA-N -1 3 367.492 3.220 20 0 FGADHM CC(=O)c1ccc(C(=O)N2CCCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@@H]2O)cc1[O-] ZINC000614333657 507468261 /nfs/dbraw/zinc/46/82/61/507468261.db2.gz LGHWFBDBYVQRTP-YFYLHZKVSA-N -1 3 359.466 3.387 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)Cc1ccc(F)c(Cl)c1)C(=O)OC(C)(C)C ZINC000592099964 507482691 /nfs/dbraw/zinc/48/26/91/507482691.db2.gz JUZBFTBWVWKCHH-ZDUSSCGKSA-N -1 3 365.854 3.019 20 0 FGADHM COc1cccc(S(=O)(=O)[N-]c2c(F)cccc2N2CCCC2)c1 ZINC000606753519 507497873 /nfs/dbraw/zinc/49/78/73/507497873.db2.gz KGBXBQQIEBFHPW-UHFFFAOYSA-N -1 3 350.415 3.235 20 0 FGADHM CC(C)(C)OC(=O)[C@H](CNC(=O)c1cc(=O)c2ccccc2[n-]1)C1CCC1 ZINC000598579372 507503171 /nfs/dbraw/zinc/50/31/71/507503171.db2.gz WNXDZNLDHHYRSE-OAHLLOKOSA-N -1 3 370.449 3.016 20 0 FGADHM CC(=O)c1ccc(C(=O)NC[C@H](C(=O)OC(C)(C)C)C2CCC2)cc1[O-] ZINC000598581110 507505333 /nfs/dbraw/zinc/50/53/33/507505333.db2.gz OVUXFSNYFWXVJZ-INIZCTEOSA-N -1 3 361.438 3.083 20 0 FGADHM CC(C)(C)OC(=O)C1(C)CCN(Cc2nc3ccsc3c(=O)[n-]2)CC1 ZINC000592157145 507512008 /nfs/dbraw/zinc/51/20/08/507512008.db2.gz MZLCAVNSBCWSHU-UHFFFAOYSA-N -1 3 363.483 3.341 20 0 FGADHM CCO[C@@H]1C[C@@H](NCc2nc3c4ccccc4oc3c(=O)[n-]2)[C@@H]1SC ZINC000592174351 507524020 /nfs/dbraw/zinc/52/40/20/507524020.db2.gz QOKVCLOTYYACNH-NDGTYSDOSA-N -1 3 359.451 3.080 20 0 FGADHM CCOC(=O)c1sc([N-]C(=O)c2cc(Cn3cc(C)cn3)on2)cc1C ZINC000611126744 507527221 /nfs/dbraw/zinc/52/72/21/507527221.db2.gz WDCBSABBACNBSR-UHFFFAOYSA-N -1 3 374.422 3.027 20 0 FGADHM CN1CCN(Cc2cccc(C(=O)Nc3c([O-])cccc3Cl)c2)CC1 ZINC000584868917 507549501 /nfs/dbraw/zinc/54/95/01/507549501.db2.gz TVLKBDOVNBQHGV-UHFFFAOYSA-N -1 3 359.857 3.045 20 0 FGADHM CCN(CC)Cc1ccc(C(=O)Nc2nc3cccc(C(=O)OC)c3[n-]2)o1 ZINC000611213938 507564959 /nfs/dbraw/zinc/56/49/59/507564959.db2.gz IJILGOCVUPNKSI-UHFFFAOYSA-N -1 3 370.409 3.037 20 0 FGADHM CCN(CC)Cc1ccc(C(=O)Nc2nc3c(cccc3C(=O)OC)[n-]2)o1 ZINC000611213938 507564964 /nfs/dbraw/zinc/56/49/64/507564964.db2.gz IJILGOCVUPNKSI-UHFFFAOYSA-N -1 3 370.409 3.037 20 0 FGADHM C[S@](=O)[C@H]1CCC[C@@H](NC(=O)CCc2ccc3ccccc3c2[O-])C1 ZINC000598750579 507581112 /nfs/dbraw/zinc/58/11/12/507581112.db2.gz FNFGAHKHLUXKCB-YPBQGGFRSA-N -1 3 359.491 3.284 20 0 FGADHM Cc1cc(=O)[n-]c([C@@H](C)N2Cc3ccccc3[C@H](C(=O)OC(C)(C)C)C2)n1 ZINC000595611517 507589062 /nfs/dbraw/zinc/58/90/62/507589062.db2.gz FAFWWVNVXBLUIG-RHSMWYFYSA-N -1 3 369.465 3.493 20 0 FGADHM CCOC[C@@H](C(=O)OC)N(C)C(=O)c1cc(C(C)C)cc(C(C)C)c1[O-] ZINC000611282463 507604694 /nfs/dbraw/zinc/60/46/94/507604694.db2.gz MJVOOIBGRJETOT-KRWDZBQOSA-N -1 3 365.470 3.289 20 0 FGADHM COc1ccc(CC(=O)N=c2cc(-c3cc(C)cc(C)c3)[n-][nH]2)cc1F ZINC000586758985 507661935 /nfs/dbraw/zinc/66/19/35/507661935.db2.gz JGBGMKGZTJLALR-UHFFFAOYSA-N -1 3 353.397 3.444 20 0 FGADHM C[C@@H](CSCCNCc1cc(Cl)c2c(c1)OCCCO2)C(=O)[O-] ZINC000592462219 507665476 /nfs/dbraw/zinc/66/54/76/507665476.db2.gz PEUHVIAKBTZKAC-NSHDSACASA-N -1 3 359.875 3.045 20 0 FGADHM CC[C@H](Cc1ccccc1)C(=O)N[C@H](C)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000614821348 507665619 /nfs/dbraw/zinc/66/56/19/507665619.db2.gz HGLVDXJDGGDIFX-ZMSDIMECSA-N -1 3 369.465 3.135 20 0 FGADHM CC[C@H](Cc1ccccc1)C(=O)N[C@@H](C)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000614821346 507666178 /nfs/dbraw/zinc/66/61/78/507666178.db2.gz HGLVDXJDGGDIFX-HLLBOEOZSA-N -1 3 369.465 3.135 20 0 FGADHM CC(C)c1ccsc1C(=O)N[C@@H](C)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000614821622 507666470 /nfs/dbraw/zinc/66/64/70/507666470.db2.gz IQXRUJAGZCHULX-NEPJUHHUSA-N -1 3 361.467 3.365 20 0 FGADHM C[C@H](NC(=O)c1ccc2c(c1)CCC=C2)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000614826686 507667313 /nfs/dbraw/zinc/66/73/13/507667313.db2.gz NGFKFHVZVHUJSG-KBPBESRZSA-N -1 3 365.433 3.140 20 0 FGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]C(C)(C)CC(F)(F)F ZINC000614856982 507673995 /nfs/dbraw/zinc/67/39/95/507673995.db2.gz UZYBETDUCKRABX-UHFFFAOYSA-N -1 3 373.780 3.136 20 0 FGADHM COC(=O)c1c([N-]C(=O)c2ccc(C(F)F)o2)sc2c1CCOC2 ZINC000602358611 507682266 /nfs/dbraw/zinc/68/22/66/507682266.db2.gz ZSUAOGWPBTWRFL-UHFFFAOYSA-N -1 3 357.334 3.390 20 0 FGADHM Cc1ccc(C(=O)N2CCN(C(=O)c3cc4occc4s3)CC2)c([O-])c1 ZINC000607328830 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JSLCTILHORZFPN-UHFFFAOYSA-N -1 3 370.775 3.497 20 0 FGADHM Cc1cc(NC(=O)c2cc(F)cc3n[n-]nc32)nn1-c1ccccc1Cl ZINC000503548251 515078653 /nfs/dbraw/zinc/07/86/53/515078653.db2.gz JSLCTILHORZFPN-UHFFFAOYSA-N -1 3 370.775 3.497 20 0 FGADHM C[C@H](C(=O)N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1)n1cncn1 ZINC000503574476 515086554 /nfs/dbraw/zinc/08/65/54/515086554.db2.gz XZGLUFOVRNEZIU-MRVPVSSYSA-N -1 3 351.197 3.175 20 0 FGADHM Cn1[n-]c(=NC(=O)c2ccccc2OC(F)(F)F)cc1OC(F)F ZINC000490939039 515337464 /nfs/dbraw/zinc/33/74/64/515337464.db2.gz FAMYWBQKHHJBJS-UHFFFAOYSA-N -1 3 351.231 3.172 20 0 FGADHM Cn1[n-]c(=NC(=O)c2cccc(C(F)(F)F)c2F)cc1OC(F)F ZINC000490971905 515346662 /nfs/dbraw/zinc/34/66/62/515346662.db2.gz PVRBVTGPWQHIGV-UHFFFAOYSA-N -1 3 353.222 3.432 20 0 FGADHM COc1cc(CCC(=O)N=c2cc(OC(F)F)n(C)[n-]2)ccc1Cl ZINC000491015969 515355749 /nfs/dbraw/zinc/35/57/49/515355749.db2.gz AXCJELRVQCWJHW-UHFFFAOYSA-N -1 3 359.760 3.255 20 0 FGADHM Cc1nc([C@@H]2CCCO2)sc1C(=O)N=c1cc(-c2cccnc2)[n-][nH]1 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O=C(COc1ccccc1C(F)(F)F)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000526960129 517410228 /nfs/dbraw/zinc/41/02/28/517410228.db2.gz QEGLTJBVAKLQLS-CYBMUJFWSA-N -1 3 355.316 3.298 20 0 FGADHM Cc1cc(C)c(-c2cc(=NC(=O)CCCNC(=O)C3CC3)[nH][n-]2)cc1C ZINC000515984579 517527949 /nfs/dbraw/zinc/52/79/49/517527949.db2.gz FIDQARBQIPHKIR-UHFFFAOYSA-N -1 3 354.454 3.247 20 0 FGADHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1cnn(Cc2ccccc2Cl)c1 ZINC000527209655 517563061 /nfs/dbraw/zinc/56/30/61/517563061.db2.gz XNXFBULGCXWYER-INIZCTEOSA-N -1 3 371.828 3.412 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@@H]2CCn3c(C)ncc3C2)c1-c1ccccc1F ZINC000530275662 517674156 /nfs/dbraw/zinc/67/41/56/517674156.db2.gz MFHDILQTHLDWOL-CYBMUJFWSA-N -1 3 353.401 3.230 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)c2ccnc(O[C@H]3CCOC3)c2)c1-c1ccccc1 ZINC000542688854 517688130 /nfs/dbraw/zinc/68/81/30/517688130.db2.gz SBCHSZSNRYQYDI-INIZCTEOSA-N -1 3 364.405 3.200 20 0 FGADHM O=C(Cc1csc(Cc2ccccc2)n1)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000527500015 517712726 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COCCS(=O)(=O)[N-]c1cccc(N=c2[nH]c3ccccc3s2)c1 ZINC000606342641 521031082 /nfs/dbraw/zinc/03/10/82/521031082.db2.gz MRQIWEMUXCFYKU-UHFFFAOYSA-N -1 3 363.464 3.428 20 0 FGADHM Cn1cc(I)c(=NC(=O)[C@H]2CCCC(C)(C)C2)[n-]1 ZINC000602382604 521311359 /nfs/dbraw/zinc/31/13/59/521311359.db2.gz WAJIZLLJUFVUGA-VIFPVBQESA-N -1 3 361.227 3.180 20 0 FGADHM CC(C)c1ccc(C(=O)N=c2[n-]n(C)cc2I)cc1 ZINC000602387756 521313717 /nfs/dbraw/zinc/31/37/17/521313717.db2.gz UZWHUGXFBRJDMU-UHFFFAOYSA-N -1 3 369.206 3.400 20 0 FGADHM CC(C)c1cccc(C(=O)N=c2[n-]n(C)cc2I)c1 ZINC000602391516 521317304 /nfs/dbraw/zinc/31/73/04/521317304.db2.gz UPSDDMOBZSOZMD-UHFFFAOYSA-N -1 3 369.206 3.400 20 0 FGADHM CN1C(=O)CC[C@@H]1CC(=O)N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1 ZINC000612154149 521509937 /nfs/dbraw/zinc/50/99/37/521509937.db2.gz YFJGXZYYZRKHRF-GFCCVEGCSA-N -1 3 367.236 3.333 20 0 FGADHM Cc1cc(C(=O)N=c2cc3ccccn3[n-]2)c(C)n1C[C@H]1CCCOC1 ZINC000627148414 522678536 /nfs/dbraw/zinc/67/85/36/522678536.db2.gz BWXXVVDUFSJHPS-MRXNPFEDSA-N -1 3 352.438 3.432 20 0 FGADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)c1cnc2n1CCCCC2 ZINC000622887649 523530519 /nfs/dbraw/zinc/53/05/19/523530519.db2.gz CLNFNYDNMNPDGF-UHFFFAOYSA-N -1 3 361.755 3.274 20 0 FGADHM CCc1[n-][nH]c(=NC(=O)c2cccc(CN(C)C)c2)c1Br ZINC000479988093 561200820 /nfs/dbraw/zinc/20/08/20/561200820.db2.gz LMHMZGWSXNBSKG-UHFFFAOYSA-N -1 3 351.248 3.049 20 0 FGADHM Cc1cccc2[nH]c(=NCC[N-]S(=O)(=O)c3cccs3)sc21 ZINC000480090968 561202834 /nfs/dbraw/zinc/20/28/34/561202834.db2.gz HHMRAIHPEQGHGS-UHFFFAOYSA-N -1 3 353.494 3.057 20 0 FGADHM Cn1[n-]c(=NC(=O)COc2ccccc2C(F)(F)F)cc1OC(F)F ZINC000490921872 561440358 /nfs/dbraw/zinc/44/03/58/561440358.db2.gz AJMRAHGSKVWDNW-UHFFFAOYSA-N -1 3 365.258 3.058 20 0 FGADHM CC(=O)c1cccc(OCCCC(=O)N=c2cc(OC(F)F)n(C)[n-]2)c1 ZINC000490952185 561440841 /nfs/dbraw/zinc/44/08/41/561440841.db2.gz BSCKRFWTBYLDBI-UHFFFAOYSA-N -1 3 367.352 3.022 20 0 FGADHM COc1ccc(=NC(=O)N(C)[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)[n-]n1 ZINC000499530286 561553003 /nfs/dbraw/zinc/55/30/03/561553003.db2.gz SEEPDRBBQXQKDM-WBVHZDCISA-N -1 3 369.469 3.002 20 0 FGADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)c2cnn3cccnc23)[nH][n-]1 ZINC000512851266 561917731 /nfs/dbraw/zinc/91/77/31/561917731.db2.gz XDGDPDDHOSXELQ-UHFFFAOYSA-N -1 3 368.784 3.034 20 0 FGADHM CCCCOc1cccc(NC(=O)C(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)c1 ZINC000472969020 561039000 /nfs/dbraw/zinc/03/90/00/561039000.db2.gz NVNWGBNAGOKLBV-MRXNPFEDSA-N -1 3 372.425 3.017 20 0 FGADHM CCN=c1[n-]c(C(=O)Nc2cccc(-c3nnnn3C(C)C)c2)cs1 ZINC000529648058 562380205 /nfs/dbraw/zinc/38/02/05/562380205.db2.gz AKYJELKLHSKMBL-UHFFFAOYSA-N -1 3 357.443 3.062 20 0 FGADHM CCc1ccc([O-])c(C(=O)N[C@H](C)c2cc(OC)c(OC)c(OC)c2)c1 ZINC000522759031 568054505 /nfs/dbraw/zinc/05/45/05/568054505.db2.gz ZRWJZLVSLRJAKE-GFCCVEGCSA-N -1 3 359.422 3.471 20 0 FGADHM CCc1ccc([O-])c(C(=O)N[C@@H](C)c2cc(OC)c(OC)c(OC)c2)c1 ZINC000522759032 568054508 /nfs/dbraw/zinc/05/45/08/568054508.db2.gz ZRWJZLVSLRJAKE-LBPRGKRZSA-N -1 3 359.422 3.471 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)N1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000636822790 568116816 /nfs/dbraw/zinc/11/68/16/568116816.db2.gz JWPYSXPJEKTTOJ-USXIJHARSA-N -1 3 350.434 3.147 20 0 FGADHM COc1cccc(S(=O)(=O)[N-][C@H](c2nc(C)cs2)C2CC2)c1F ZINC000655526520 568157618 /nfs/dbraw/zinc/15/76/18/568157618.db2.gz RVXWDVLNIQKCHE-AWEZNQCLSA-N -1 3 356.444 3.029 20 0 FGADHM O=C(NCC1(Cc2ccc(Br)cc2)CC1)c1csc(=O)[n-]1 ZINC000618538472 568503846 /nfs/dbraw/zinc/50/38/46/568503846.db2.gz LJVQXLUCACWOBQ-UHFFFAOYSA-N -1 3 367.268 3.364 20 0 FGADHM CCCCCc1cc(C(=O)Nc2cc(C)ccc2[N-]S(C)(=O)=O)n[nH]1 ZINC000669205382 568659757 /nfs/dbraw/zinc/65/97/57/568659757.db2.gz XPRXMMJUUJZEFE-UHFFFAOYSA-N -1 3 364.471 3.075 20 0 FGADHM CC[C@H](C)NC(=S)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000736326024 598827301 /nfs/dbraw/zinc/82/73/01/598827301.db2.gz MDVLDEVSTJFZGJ-NSHDSACASA-N -1 3 372.523 3.358 20 0 FGADHM CCO[C@H](CC)C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000736613917 598835596 /nfs/dbraw/zinc/83/55/96/598835596.db2.gz GRQPLBZKYXSTMH-CQSZACIVSA-N -1 3 371.466 3.027 20 0 FGADHM COC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCC2(CCCCC2)CC1 ZINC000736901566 598861384 /nfs/dbraw/zinc/86/13/84/598861384.db2.gz LXJAVHLYDCEGDZ-KRWDZBQOSA-N -1 3 369.469 3.127 20 0 FGADHM COC(=O)[C@@H](Nc1cccc(C(C)C)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736898070 598878669 /nfs/dbraw/zinc/87/86/69/598878669.db2.gz ORKQAJVKPBEMCN-KRWDZBQOSA-N -1 3 351.410 3.316 20 0 FGADHM COC(=O)[C@@H](Nc1cccc(C(C)C)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736898070 598878670 /nfs/dbraw/zinc/87/86/70/598878670.db2.gz ORKQAJVKPBEMCN-KRWDZBQOSA-N -1 3 351.410 3.316 20 0 FGADHM O=C(NCC1CCCC1)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000823176127 599295411 /nfs/dbraw/zinc/29/54/11/599295411.db2.gz QEWAGRXNGZBBCM-UHFFFAOYSA-N -1 3 354.336 3.197 20 0 FGADHM O=C(NCC1CCCC1)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823176127 599295414 /nfs/dbraw/zinc/29/54/14/599295414.db2.gz QEWAGRXNGZBBCM-UHFFFAOYSA-N -1 3 354.336 3.197 20 0 FGADHM CC(C)[C@@H](C)NC(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000735707500 598888725 /nfs/dbraw/zinc/88/87/25/598888725.db2.gz HTRBITXUEFPAJE-GFCCVEGCSA-N -1 3 370.482 3.439 20 0 FGADHM Cc1cc(C(=O)O[C@@H](C)COc2cccc(-c3nnn[n-]3)c2)sc1C ZINC000737238466 598885631 /nfs/dbraw/zinc/88/56/31/598885631.db2.gz NNYADUPVOLBOMW-NSHDSACASA-N -1 3 358.423 3.169 20 0 FGADHM Cc1cc(C(=O)O[C@@H](C)COc2cccc(-c3nn[n-]n3)c2)sc1C ZINC000737238466 598885632 /nfs/dbraw/zinc/88/56/32/598885632.db2.gz NNYADUPVOLBOMW-NSHDSACASA-N -1 3 358.423 3.169 20 0 FGADHM CCCCS[C@@H](C)C(=O)O[C@@H](C)COc1cccc(-c2nnn[n-]2)c1 ZINC000736462164 598886435 /nfs/dbraw/zinc/88/64/35/598886435.db2.gz AYQKWAWEJHBYPD-STQMWFEESA-N -1 3 364.471 3.099 20 0 FGADHM CCCCS[C@@H](C)C(=O)O[C@@H](C)COc1cccc(-c2nn[n-]n2)c1 ZINC000736462164 598886437 /nfs/dbraw/zinc/88/64/37/598886437.db2.gz AYQKWAWEJHBYPD-STQMWFEESA-N -1 3 364.471 3.099 20 0 FGADHM CCCCNC(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000736462082 598889137 /nfs/dbraw/zinc/88/91/37/598889137.db2.gz ZYUIYOAJTQDXPJ-UHFFFAOYSA-N -1 3 356.455 3.195 20 0 FGADHM Cc1ccc(CCC(=O)O[C@@H](C)COc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737338202 598890523 /nfs/dbraw/zinc/89/05/23/598890523.db2.gz PFKWLESBXZNDQN-HNNXBMFYSA-N -1 3 366.421 3.118 20 0 FGADHM Cc1ccc(CCC(=O)O[C@@H](C)COc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737338202 598890525 /nfs/dbraw/zinc/89/05/25/598890525.db2.gz PFKWLESBXZNDQN-HNNXBMFYSA-N -1 3 366.421 3.118 20 0 FGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cc2ccccn2c1 ZINC000735905514 598903821 /nfs/dbraw/zinc/90/38/21/598903821.db2.gz JTOBJYBQQFLQFD-UHFFFAOYSA-N -1 3 362.393 3.159 20 0 FGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc2ccccn2c1 ZINC000735905514 598903823 /nfs/dbraw/zinc/90/38/23/598903823.db2.gz JTOBJYBQQFLQFD-UHFFFAOYSA-N -1 3 362.393 3.159 20 0 FGADHM CC(C)(C)C(=O)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735587932 598904080 /nfs/dbraw/zinc/90/40/80/598904080.db2.gz ZLDJYSJYOPXEGB-UHFFFAOYSA-N -1 3 365.393 3.213 20 0 FGADHM CC(C)[C@@H](C)N(CC(F)(F)F)C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000735703810 598905768 /nfs/dbraw/zinc/90/57/68/598905768.db2.gz WGSYDJWCSHFWHX-GFCCVEGCSA-N -1 3 369.391 3.235 20 0 FGADHM CC(C)[C@@H](C)N(CC(F)(F)F)C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000735703810 598905770 /nfs/dbraw/zinc/90/57/70/598905770.db2.gz WGSYDJWCSHFWHX-GFCCVEGCSA-N -1 3 369.391 3.235 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000738151998 598913198 /nfs/dbraw/zinc/91/31/98/598913198.db2.gz OGMPRDHFHMMCMG-BXUZGUMPSA-N -1 3 372.791 3.337 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000738151998 598913200 /nfs/dbraw/zinc/91/32/00/598913200.db2.gz OGMPRDHFHMMCMG-BXUZGUMPSA-N -1 3 372.791 3.337 20 0 FGADHM C[C@@H]1CCCC[C@H]1CCNC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736259353 598921963 /nfs/dbraw/zinc/92/19/63/598921963.db2.gz DQBZUYFAGWUPBW-ZBFHGGJFSA-N -1 3 356.474 3.225 20 0 FGADHM C[C@@H]1CCCC[C@H]1CCNC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736259353 598921965 /nfs/dbraw/zinc/92/19/65/598921965.db2.gz DQBZUYFAGWUPBW-ZBFHGGJFSA-N -1 3 356.474 3.225 20 0 FGADHM COc1ccccc1CN(c1ncc(-c2nnn[n-]2)cc1Cl)C1CC1 ZINC000737150653 598938719 /nfs/dbraw/zinc/93/87/19/598938719.db2.gz QXUKVAXENMIEGQ-UHFFFAOYSA-N -1 3 356.817 3.093 20 0 FGADHM COc1ccccc1CN(c1ncc(-c2nn[n-]n2)cc1Cl)C1CC1 ZINC000737150653 598938721 /nfs/dbraw/zinc/93/87/21/598938721.db2.gz QXUKVAXENMIEGQ-UHFFFAOYSA-N -1 3 356.817 3.093 20 0 FGADHM COc1ccccc1[C@@H]1CCCN1c1ncc(-c2nnn[n-]2)cc1Cl ZINC000737146161 598941009 /nfs/dbraw/zinc/94/10/09/598941009.db2.gz GXGVWGWHGVEFBP-AWEZNQCLSA-N -1 3 356.817 3.265 20 0 FGADHM COc1ccccc1[C@@H]1CCCN1c1ncc(-c2nn[n-]n2)cc1Cl ZINC000737146161 598941011 /nfs/dbraw/zinc/94/10/11/598941011.db2.gz GXGVWGWHGVEFBP-AWEZNQCLSA-N -1 3 356.817 3.265 20 0 FGADHM CC[C@@H]1CCC[C@@H](NC(=O)[C@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)C1 ZINC000736394745 598941819 /nfs/dbraw/zinc/94/18/19/598941819.db2.gz FHMFLBDLTACPDR-IIDMSEBBSA-N -1 3 371.485 3.355 20 0 FGADHM CC[C@@H]1CCC[C@@H](NC(=O)[C@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)C1 ZINC000736394745 598941821 /nfs/dbraw/zinc/94/18/21/598941821.db2.gz FHMFLBDLTACPDR-IIDMSEBBSA-N -1 3 371.485 3.355 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)c(N(C)Cc2cc(Br)cs2)n1 ZINC000826274094 608276136 /nfs/dbraw/zinc/27/61/36/608276136.db2.gz GRSSLHYHANEKEL-UHFFFAOYSA-N -1 3 365.260 3.031 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)c(N(C)Cc2cc(Br)cs2)n1 ZINC000826274094 608276137 /nfs/dbraw/zinc/27/61/37/608276137.db2.gz GRSSLHYHANEKEL-UHFFFAOYSA-N -1 3 365.260 3.031 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OCCSCc1cccc(F)c1 ZINC000737033593 599010404 /nfs/dbraw/zinc/01/04/04/599010404.db2.gz YMTQIUFXIGHWBD-UHFFFAOYSA-N -1 3 360.414 3.327 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OCCSCc1cccc(F)c1 ZINC000737033593 599010406 /nfs/dbraw/zinc/01/04/06/599010406.db2.gz YMTQIUFXIGHWBD-UHFFFAOYSA-N -1 3 360.414 3.327 20 0 FGADHM CC[C@H](NC(=S)N(C)Cc1cccc(-c2nnn[n-]2)c1)c1cccs1 ZINC000736371226 599014046 /nfs/dbraw/zinc/01/40/46/599014046.db2.gz PVOLLFITQRBALY-AWEZNQCLSA-N -1 3 372.523 3.386 20 0 FGADHM CC[C@H](NC(=S)N(C)Cc1cccc(-c2nn[n-]n2)c1)c1cccs1 ZINC000736371226 599014048 /nfs/dbraw/zinc/01/40/48/599014048.db2.gz PVOLLFITQRBALY-AWEZNQCLSA-N -1 3 372.523 3.386 20 0 FGADHM O=C(COc1ccccc1-c1nnn[n-]1)OCCCc1ccc(Cl)cc1 ZINC000737932582 599016151 /nfs/dbraw/zinc/01/61/51/599016151.db2.gz ZADBHUFPGVQRBN-UHFFFAOYSA-N -1 3 372.812 3.075 20 0 FGADHM O=C(COc1ccccc1-c1nn[n-]n1)OCCCc1ccc(Cl)cc1 ZINC000737932582 599016153 /nfs/dbraw/zinc/01/61/53/599016153.db2.gz ZADBHUFPGVQRBN-UHFFFAOYSA-N -1 3 372.812 3.075 20 0 FGADHM CSc1ccc(O[C@H](C)C(=O)OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737189828 599016866 /nfs/dbraw/zinc/01/68/66/599016866.db2.gz CKIOHRWRPAGQET-GFCCVEGCSA-N -1 3 370.434 3.099 20 0 FGADHM CSc1ccc(O[C@H](C)C(=O)OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737189828 599016867 /nfs/dbraw/zinc/01/68/67/599016867.db2.gz CKIOHRWRPAGQET-GFCCVEGCSA-N -1 3 370.434 3.099 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C[C@@H](C)c1cccnc1 ZINC000736481125 599022905 /nfs/dbraw/zinc/02/29/05/599022905.db2.gz SYUMHLXHZCQAQE-OAHLLOKOSA-N -1 3 364.453 3.194 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C[C@@H](C)c1cccnc1 ZINC000736481125 599022906 /nfs/dbraw/zinc/02/29/06/599022906.db2.gz SYUMHLXHZCQAQE-OAHLLOKOSA-N -1 3 364.453 3.194 20 0 FGADHM C[C@H]1CN(c2cccc(F)c2-c2nnn[n-]2)C[C@@H](c2ccc(F)cc2)O1 ZINC000820775551 599039377 /nfs/dbraw/zinc/03/93/77/599039377.db2.gz IWAZGTWEZXPCSC-ZBEGNZNMSA-N -1 3 357.364 3.111 20 0 FGADHM C[C@H]1CN(c2cccc(F)c2-c2nn[n-]n2)C[C@@H](c2ccc(F)cc2)O1 ZINC000820775551 599039380 /nfs/dbraw/zinc/03/93/80/599039380.db2.gz IWAZGTWEZXPCSC-ZBEGNZNMSA-N -1 3 357.364 3.111 20 0 FGADHM Fc1ccc(CCNc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)cc1 ZINC000737649578 599039971 /nfs/dbraw/zinc/03/99/71/599039971.db2.gz NCSFDSQPPFVPOT-UHFFFAOYSA-N -1 3 352.295 3.074 20 0 FGADHM Fc1ccc(CCNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)cc1 ZINC000737649578 599039974 /nfs/dbraw/zinc/03/99/74/599039974.db2.gz NCSFDSQPPFVPOT-UHFFFAOYSA-N -1 3 352.295 3.074 20 0 FGADHM Cc1cccc([C@H](C)CNC(=O)CSc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737389796 599040046 /nfs/dbraw/zinc/04/00/46/599040046.db2.gz PSAXXVABYCEJRE-CQSZACIVSA-N -1 3 367.478 3.187 20 0 FGADHM Cc1cccc([C@H](C)CNC(=O)CSc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737389796 599040049 /nfs/dbraw/zinc/04/00/49/599040049.db2.gz PSAXXVABYCEJRE-CQSZACIVSA-N -1 3 367.478 3.187 20 0 FGADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(N[C@H]2CCOc3ccccc32)n1 ZINC000737631051 599040425 /nfs/dbraw/zinc/04/04/25/599040425.db2.gz CKPMBCJWTIBASM-NSHDSACASA-N -1 3 362.315 3.216 20 0 FGADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(N[C@H]2CCOc3ccccc32)n1 ZINC000737631051 599040427 /nfs/dbraw/zinc/04/04/27/599040427.db2.gz CKPMBCJWTIBASM-NSHDSACASA-N -1 3 362.315 3.216 20 0 FGADHM C[C@@H]1CCCC[C@@H]1OCCNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000736267562 599044010 /nfs/dbraw/zinc/04/40/10/599044010.db2.gz BPGXYCUFSULDGJ-PWSUYJOCSA-N -1 3 370.379 3.288 20 0 FGADHM C[C@@H]1CCCC[C@@H]1OCCNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000736267562 599044013 /nfs/dbraw/zinc/04/40/13/599044013.db2.gz BPGXYCUFSULDGJ-PWSUYJOCSA-N -1 3 370.379 3.288 20 0 FGADHM CCN(CC(=O)Nc1c(C)cccc1C)c1cccc(F)c1-c1nnn[n-]1 ZINC000821164918 599052979 /nfs/dbraw/zinc/05/29/79/599052979.db2.gz MCKGKFPIZXEEQX-UHFFFAOYSA-N -1 3 368.416 3.088 20 0 FGADHM CCN(CC(=O)Nc1c(C)cccc1C)c1cccc(F)c1-c1nn[n-]n1 ZINC000821164918 599052982 /nfs/dbraw/zinc/05/29/82/599052982.db2.gz MCKGKFPIZXEEQX-UHFFFAOYSA-N -1 3 368.416 3.088 20 0 FGADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(NC[C@@H]2CCc3ccccc32)n1 ZINC000737635442 599057279 /nfs/dbraw/zinc/05/72/79/599057279.db2.gz GASBABJXGFZCHV-NSHDSACASA-N -1 3 360.343 3.422 20 0 FGADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(NC[C@@H]2CCc3ccccc32)n1 ZINC000737635442 599057282 /nfs/dbraw/zinc/05/72/82/599057282.db2.gz GASBABJXGFZCHV-NSHDSACASA-N -1 3 360.343 3.422 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1N1CC[C@@H](COCc2ccccc2)C1 ZINC000822743959 599063356 /nfs/dbraw/zinc/06/33/56/599063356.db2.gz IXXNBHHHQRDURU-OAHLLOKOSA-N -1 3 353.401 3.049 20 0 FGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1F)Nc1ccc(F)c(F)c1 ZINC000737946326 599065945 /nfs/dbraw/zinc/06/59/45/599065945.db2.gz AXCPAHWMIUXPTQ-UHFFFAOYSA-N -1 3 365.340 3.015 20 0 FGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1F)Nc1ccc(F)c(F)c1 ZINC000737946326 599065948 /nfs/dbraw/zinc/06/59/48/599065948.db2.gz AXCPAHWMIUXPTQ-UHFFFAOYSA-N -1 3 365.340 3.015 20 0 FGADHM Fc1cc(CSc2ccc(-c3nnn[n-]3)cc2F)c2c(c1)COCO2 ZINC000737653001 599065955 /nfs/dbraw/zinc/06/59/55/599065955.db2.gz PTDPXWVJRWURBW-UHFFFAOYSA-N -1 3 362.361 3.304 20 0 FGADHM Fc1cc(CSc2ccc(-c3nn[n-]n3)cc2F)c2c(c1)COCO2 ZINC000737653001 599065958 /nfs/dbraw/zinc/06/59/58/599065958.db2.gz PTDPXWVJRWURBW-UHFFFAOYSA-N -1 3 362.361 3.304 20 0 FGADHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2N1C[C@H](C)S[C@@H](C)C1 ZINC000822203427 599075555 /nfs/dbraw/zinc/07/55/55/599075555.db2.gz SYPQXSBIYXHDQX-QWRGUYRKSA-N -1 3 358.446 3.193 20 0 FGADHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2N1C[C@H](C)S[C@@H](C)C1 ZINC000822203427 599075558 /nfs/dbraw/zinc/07/55/58/599075558.db2.gz SYPQXSBIYXHDQX-QWRGUYRKSA-N -1 3 358.446 3.193 20 0 FGADHM Cc1ccc([C@@H](C)N[C@@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)o1 ZINC000737321338 599078280 /nfs/dbraw/zinc/07/82/80/599078280.db2.gz UFYSEPRCAONGMC-MNOVXSKESA-N -1 3 374.832 3.099 20 0 FGADHM Cc1ccc([C@@H](C)N[C@@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)o1 ZINC000737321338 599078282 /nfs/dbraw/zinc/07/82/82/599078282.db2.gz UFYSEPRCAONGMC-MNOVXSKESA-N -1 3 374.832 3.099 20 0 FGADHM Cc1ccc([C@H]2CCCCN2C(=O)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737330906 599083675 /nfs/dbraw/zinc/08/36/75/599083675.db2.gz OEPNZFMSWALKCG-LJQANCHMSA-N -1 3 361.449 3.471 20 0 FGADHM Cc1ccc([C@H]2CCCCN2C(=O)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737330906 599083677 /nfs/dbraw/zinc/08/36/77/599083677.db2.gz OEPNZFMSWALKCG-LJQANCHMSA-N -1 3 361.449 3.471 20 0 FGADHM C[C@@H](NC(=O)NCC[C@@H]1CCC[C@@H](C)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736249815 599103982 /nfs/dbraw/zinc/10/39/82/599103982.db2.gz KXRONBHCCMYEPQ-KFWWJZLASA-N -1 3 356.474 3.443 20 0 FGADHM C[C@@H](NC(=O)NCC[C@@H]1CCC[C@@H](C)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736249815 599103984 /nfs/dbraw/zinc/10/39/84/599103984.db2.gz KXRONBHCCMYEPQ-KFWWJZLASA-N -1 3 356.474 3.443 20 0 FGADHM CCN(C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1)[C@@H](C)c1cccnc1 ZINC000736506087 599104115 /nfs/dbraw/zinc/10/41/15/599104115.db2.gz QVVGYUXXAWVDOW-KGLIPLIRSA-N -1 3 365.441 3.115 20 0 FGADHM CCN(C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1)[C@@H](C)c1cccnc1 ZINC000736506087 599104116 /nfs/dbraw/zinc/10/41/16/599104116.db2.gz QVVGYUXXAWVDOW-KGLIPLIRSA-N -1 3 365.441 3.115 20 0 FGADHM Cc1ccc(NC(=O)[C@@H](C)Sc2ccccc2-c2nnn[n-]2)cc1F ZINC000737355594 599110194 /nfs/dbraw/zinc/11/01/94/599110194.db2.gz JAWDXYYNOPJNJW-LLVKDONJSA-N -1 3 357.414 3.434 20 0 FGADHM Cc1ccc(NC(=O)[C@@H](C)Sc2ccccc2-c2nn[n-]n2)cc1F ZINC000737355594 599110196 /nfs/dbraw/zinc/11/01/96/599110196.db2.gz JAWDXYYNOPJNJW-LLVKDONJSA-N -1 3 357.414 3.434 20 0 FGADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2NCc1ccc(Cl)cc1 ZINC000737408238 599121192 /nfs/dbraw/zinc/12/11/92/599121192.db2.gz IBYFLNBRHNMALE-UHFFFAOYSA-N -1 3 350.813 3.411 20 0 FGADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2NCc1ccc(Cl)cc1 ZINC000737408238 599121193 /nfs/dbraw/zinc/12/11/93/599121193.db2.gz IBYFLNBRHNMALE-UHFFFAOYSA-N -1 3 350.813 3.411 20 0 FGADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2NCCCOC1CCCCC1 ZINC000737408149 599121228 /nfs/dbraw/zinc/12/12/28/599121228.db2.gz GJRBXDWJJXXHKH-UHFFFAOYSA-N -1 3 366.469 3.297 20 0 FGADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2NCCCOC1CCCCC1 ZINC000737408149 599121231 /nfs/dbraw/zinc/12/12/31/599121231.db2.gz GJRBXDWJJXXHKH-UHFFFAOYSA-N -1 3 366.469 3.297 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@@H](C)CCc1ccccc1F ZINC000821699089 599134867 /nfs/dbraw/zinc/13/48/67/599134867.db2.gz BDLIBLCIJIHSBQ-LBPRGKRZSA-N -1 3 370.384 3.189 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@@H](C)CCc1ccccc1F ZINC000821699089 599134870 /nfs/dbraw/zinc/13/48/70/599134870.db2.gz BDLIBLCIJIHSBQ-LBPRGKRZSA-N -1 3 370.384 3.189 20 0 FGADHM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820939306 599139440 /nfs/dbraw/zinc/13/94/40/599139440.db2.gz SXBLYPMYJIDHMO-QGTPRVQTSA-N -1 3 371.485 3.199 20 0 FGADHM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820939306 599139442 /nfs/dbraw/zinc/13/94/42/599139442.db2.gz SXBLYPMYJIDHMO-QGTPRVQTSA-N -1 3 371.485 3.199 20 0 FGADHM CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000820938002 599139623 /nfs/dbraw/zinc/13/96/23/599139623.db2.gz GLLACIYEXPJORM-JLSDUUJJSA-N -1 3 371.485 3.199 20 0 FGADHM CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000820938002 599139627 /nfs/dbraw/zinc/13/96/27/599139627.db2.gz GLLACIYEXPJORM-JLSDUUJJSA-N -1 3 371.485 3.199 20 0 FGADHM O=C(C[C@H]1CCc2ccccc21)OCc1cc(-c2nnn[n-]2)ccc1F ZINC000737818285 599146235 /nfs/dbraw/zinc/14/62/35/599146235.db2.gz HQZDTYWZNJAYFM-CYBMUJFWSA-N -1 3 352.369 3.169 20 0 FGADHM O=C(C[C@H]1CCc2ccccc21)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000737818285 599146237 /nfs/dbraw/zinc/14/62/37/599146237.db2.gz HQZDTYWZNJAYFM-CYBMUJFWSA-N -1 3 352.369 3.169 20 0 FGADHM COc1ccc(-c2nc3cc(F)ccc3n2C2CC2)cc1-c1nnn[n-]1 ZINC000821732854 599156292 /nfs/dbraw/zinc/15/62/92/599156292.db2.gz VRYREMNKHZFUQL-UHFFFAOYSA-N -1 3 350.357 3.366 20 0 FGADHM COc1ccc(-c2nc3cc(F)ccc3n2C2CC2)cc1-c1nn[n-]n1 ZINC000821732854 599156294 /nfs/dbraw/zinc/15/62/94/599156294.db2.gz VRYREMNKHZFUQL-UHFFFAOYSA-N -1 3 350.357 3.366 20 0 FGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=S)NC(C1CC1)C1CC1 ZINC000735905590 599157426 /nfs/dbraw/zinc/15/74/26/599157426.db2.gz LRQYHVNTEAGZRY-UHFFFAOYSA-N -1 3 372.498 3.129 20 0 FGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=S)NC(C1CC1)C1CC1 ZINC000735905590 599157428 /nfs/dbraw/zinc/15/74/28/599157428.db2.gz LRQYHVNTEAGZRY-UHFFFAOYSA-N -1 3 372.498 3.129 20 0 FGADHM Clc1ccc(OCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)cc1 ZINC000737575654 599160251 /nfs/dbraw/zinc/16/02/51/599160251.db2.gz ZYRMLEYSHUVFKK-UHFFFAOYSA-N -1 3 354.757 3.149 20 0 FGADHM Clc1ccc(OCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)cc1 ZINC000737575654 599160254 /nfs/dbraw/zinc/16/02/54/599160254.db2.gz ZYRMLEYSHUVFKK-UHFFFAOYSA-N -1 3 354.757 3.149 20 0 FGADHM Cc1cc2cc(C(=O)NCc3cc(-c4nnn[n-]4)ccc3F)oc2cc1C ZINC000822212840 599164542 /nfs/dbraw/zinc/16/45/42/599164542.db2.gz JJBLLUOCDXXUFH-UHFFFAOYSA-N -1 3 365.368 3.299 20 0 FGADHM Cc1cc2cc(C(=O)NCc3cc(-c4nn[n-]n4)ccc3F)oc2cc1C ZINC000822212840 599164544 /nfs/dbraw/zinc/16/45/44/599164544.db2.gz JJBLLUOCDXXUFH-UHFFFAOYSA-N -1 3 365.368 3.299 20 0 FGADHM CC(C)(C)c1ccc([C@H](O)CNc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000735650627 599170609 /nfs/dbraw/zinc/17/06/09/599170609.db2.gz QKMGPHXQNHBTCH-QGZVFWFLSA-N -1 3 355.417 3.449 20 0 FGADHM CC(C)[C@H](C(=O)NCc1cc(-c2nnn[n-]2)ccc1F)c1ccccc1 ZINC000820016696 599175159 /nfs/dbraw/zinc/17/51/59/599175159.db2.gz OHGHORPTVTWBNY-KRWDZBQOSA-N -1 3 353.401 3.062 20 0 FGADHM CC(C)[C@H](C(=O)NCc1cc(-c2nn[n-]n2)ccc1F)c1ccccc1 ZINC000820016696 599175160 /nfs/dbraw/zinc/17/51/60/599175160.db2.gz OHGHORPTVTWBNY-KRWDZBQOSA-N -1 3 353.401 3.062 20 0 FGADHM O=C(C=Cc1ccc(Cl)s1)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822930360 599181951 /nfs/dbraw/zinc/18/19/51/599181951.db2.gz ZHYLOIPXDWDDTB-UTCJRWHESA-N -1 3 363.805 3.050 20 0 FGADHM O=C(C=Cc1ccc(Cl)s1)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822930360 599181954 /nfs/dbraw/zinc/18/19/54/599181954.db2.gz ZHYLOIPXDWDDTB-UTCJRWHESA-N -1 3 363.805 3.050 20 0 FGADHM CCC(=CC(=O)NCc1cc(-c2nnn[n-]2)ccc1F)c1ccc(C)cc1 ZINC000820833202 599183349 /nfs/dbraw/zinc/18/33/49/599183349.db2.gz TYZLXBCDVUOTEL-KAMYIIQDSA-N -1 3 365.412 3.424 20 0 FGADHM CCC(=CC(=O)NCc1cc(-c2nn[n-]n2)ccc1F)c1ccc(C)cc1 ZINC000820833202 599183350 /nfs/dbraw/zinc/18/33/50/599183350.db2.gz TYZLXBCDVUOTEL-KAMYIIQDSA-N -1 3 365.412 3.424 20 0 FGADHM Cc1ccc([C@H]2CCCN2C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)o1 ZINC000737330529 599188816 /nfs/dbraw/zinc/18/88/16/599188816.db2.gz JUUIRSVMZJMBQV-OAHLLOKOSA-N -1 3 352.398 3.446 20 0 FGADHM Cc1ccc([C@H]2CCCN2C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)o1 ZINC000737330529 599188817 /nfs/dbraw/zinc/18/88/17/599188817.db2.gz JUUIRSVMZJMBQV-OAHLLOKOSA-N -1 3 352.398 3.446 20 0 FGADHM CN(C(=O)c1ccc(-c2nnn[n-]2)cn1)c1ccc(-c2ccccc2)cc1 ZINC000821573368 599192842 /nfs/dbraw/zinc/19/28/42/599192842.db2.gz NMKUXKCSCOCEHC-UHFFFAOYSA-N -1 3 356.389 3.205 20 0 FGADHM CN(C(=O)c1ccc(-c2nn[n-]n2)cn1)c1ccc(-c2ccccc2)cc1 ZINC000821573368 599192844 /nfs/dbraw/zinc/19/28/44/599192844.db2.gz NMKUXKCSCOCEHC-UHFFFAOYSA-N -1 3 356.389 3.205 20 0 FGADHM O=C(NC1CC1)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000738020351 599198224 /nfs/dbraw/zinc/19/82/24/599198224.db2.gz NZMYGPHMOJDPNY-UHFFFAOYSA-N -1 3 355.785 3.205 20 0 FGADHM O=C(NC1CC1)c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000738020351 599198225 /nfs/dbraw/zinc/19/82/25/599198225.db2.gz NZMYGPHMOJDPNY-UHFFFAOYSA-N -1 3 355.785 3.205 20 0 FGADHM COCCN(C(=O)[C@@H](C)CC1CCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736989166 599206235 /nfs/dbraw/zinc/20/62/35/599206235.db2.gz RUDVPRIDXPQEID-AWEZNQCLSA-N -1 3 357.458 3.063 20 0 FGADHM COCCN(C(=O)[C@@H](C)CC1CCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736989166 599206238 /nfs/dbraw/zinc/20/62/38/599206238.db2.gz RUDVPRIDXPQEID-AWEZNQCLSA-N -1 3 357.458 3.063 20 0 FGADHM CCCCCC[C@H](C)C(=O)N(CCOC)c1ccc(-c2nnn[n-]2)cc1 ZINC000736443588 599202825 /nfs/dbraw/zinc/20/28/25/599202825.db2.gz AJNYAFXKMRVEGZ-HNNXBMFYSA-N -1 3 359.474 3.453 20 0 FGADHM CCCCCC[C@H](C)C(=O)N(CCOC)c1ccc(-c2nn[n-]n2)cc1 ZINC000736443588 599202827 /nfs/dbraw/zinc/20/28/27/599202827.db2.gz AJNYAFXKMRVEGZ-HNNXBMFYSA-N -1 3 359.474 3.453 20 0 FGADHM CC[C@H](Cc1ccccc1)N(C)C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000736351132 599209832 /nfs/dbraw/zinc/20/98/32/599209832.db2.gz OCZQNIBPKJIAIH-LJQANCHMSA-N -1 3 363.465 3.279 20 0 FGADHM CC[C@H](Cc1ccccc1)N(C)C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000736351132 599209834 /nfs/dbraw/zinc/20/98/34/599209834.db2.gz OCZQNIBPKJIAIH-LJQANCHMSA-N -1 3 363.465 3.279 20 0 FGADHM CCC(CC)c1cc(CNC(=O)C=Cc2ccccc2-c2nnn[n-]2)on1 ZINC000736350133 599209857 /nfs/dbraw/zinc/20/98/57/599209857.db2.gz LUHOGQGQGRGOJH-MDZDMXLPSA-N -1 3 366.425 3.088 20 0 FGADHM CCC(CC)c1cc(CNC(=O)C=Cc2ccccc2-c2nn[n-]n2)on1 ZINC000736350133 599209859 /nfs/dbraw/zinc/20/98/59/599209859.db2.gz LUHOGQGQGRGOJH-MDZDMXLPSA-N -1 3 366.425 3.088 20 0 FGADHM O=C(Nc1ccc(F)c(Br)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000823337700 599211042 /nfs/dbraw/zinc/21/10/42/599211042.db2.gz QLSAZLSDWNSDDA-UHFFFAOYSA-N -1 3 362.162 3.021 20 0 FGADHM O=C(Nc1ccc(F)c(Br)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000823337700 599211044 /nfs/dbraw/zinc/21/10/44/599211044.db2.gz QLSAZLSDWNSDDA-UHFFFAOYSA-N -1 3 362.162 3.021 20 0 FGADHM Cc1cc(C)cc(-c2cc(NC(=O)c3sccc3-c3nnn[n-]3)n[nH]2)c1 ZINC000737248959 599215182 /nfs/dbraw/zinc/21/51/82/599215182.db2.gz PSHYPGDBEQCPEU-UHFFFAOYSA-N -1 3 365.422 3.187 20 0 FGADHM Cc1cc(C)cc(-c2cc(NC(=O)c3sccc3-c3nn[n-]n3)n[nH]2)c1 ZINC000737248959 599215183 /nfs/dbraw/zinc/21/51/83/599215183.db2.gz PSHYPGDBEQCPEU-UHFFFAOYSA-N -1 3 365.422 3.187 20 0 FGADHM CCO[C@@H](C)C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000821347679 599218645 /nfs/dbraw/zinc/21/86/45/599218645.db2.gz ZMSDUCSVXROTRH-NSHDSACASA-N -1 3 371.372 3.162 20 0 FGADHM CCO[C@@H](C)C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000821347679 599218648 /nfs/dbraw/zinc/21/86/48/599218648.db2.gz ZMSDUCSVXROTRH-NSHDSACASA-N -1 3 371.372 3.162 20 0 FGADHM Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)c2cccc(-c3nnn[n-]3)c2)o1 ZINC000822233088 599221366 /nfs/dbraw/zinc/22/13/66/599221366.db2.gz HUKLJQGJXXEKOR-BLLLJJGKSA-N -1 3 351.410 3.382 20 0 FGADHM Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)c2cccc(-c3nn[n-]n3)c2)o1 ZINC000822233088 599221368 /nfs/dbraw/zinc/22/13/68/599221368.db2.gz HUKLJQGJXXEKOR-BLLLJJGKSA-N -1 3 351.410 3.382 20 0 FGADHM Cc1cccc(CSCCC(=O)Nc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822303582 599223775 /nfs/dbraw/zinc/22/37/75/599223775.db2.gz FVPLBZMWNVSZCN-UHFFFAOYSA-N -1 3 353.451 3.437 20 0 FGADHM Cc1cccc(CSCCC(=O)Nc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822303582 599223776 /nfs/dbraw/zinc/22/37/76/599223776.db2.gz FVPLBZMWNVSZCN-UHFFFAOYSA-N -1 3 353.451 3.437 20 0 FGADHM CCOc1cccc(NC(=S)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821431107 599225969 /nfs/dbraw/zinc/22/59/69/599225969.db2.gz MLPRULJMCLZNHD-GFCCVEGCSA-N -1 3 368.466 3.313 20 0 FGADHM CCOc1cccc(NC(=S)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821431107 599225972 /nfs/dbraw/zinc/22/59/72/599225972.db2.gz MLPRULJMCLZNHD-GFCCVEGCSA-N -1 3 368.466 3.313 20 0 FGADHM CCN(C(=O)c1ncc(-c2nnn[n-]2)cc1Cl)c1ccc(C)cc1C ZINC000821159476 607262660 /nfs/dbraw/zinc/26/26/60/607262660.db2.gz CAXSSLQTQZLZGW-UHFFFAOYSA-N -1 3 356.817 3.199 20 0 FGADHM CCN(C(=O)c1ncc(-c2nn[n-]n2)cc1Cl)c1ccc(C)cc1C ZINC000821159476 607262661 /nfs/dbraw/zinc/26/26/61/607262661.db2.gz CAXSSLQTQZLZGW-UHFFFAOYSA-N -1 3 356.817 3.199 20 0 FGADHM CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000736350476 599232727 /nfs/dbraw/zinc/23/27/27/599232727.db2.gz AUMWRTXAZNXOPZ-KRWDZBQOSA-N -1 3 364.453 3.054 20 0 FGADHM CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000736350476 599232728 /nfs/dbraw/zinc/23/27/28/599232728.db2.gz AUMWRTXAZNXOPZ-KRWDZBQOSA-N -1 3 364.453 3.054 20 0 FGADHM C[C@@H]1CN(C(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C[C@@H](C)S1 ZINC000820742163 599227201 /nfs/dbraw/zinc/22/72/01/599227201.db2.gz HRKPQCLJMGOWAP-RKDXNWHRSA-N -1 3 368.919 3.043 20 0 FGADHM C[C@@H]1CN(C(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C[C@@H](C)S1 ZINC000820742163 599227203 /nfs/dbraw/zinc/22/72/03/599227203.db2.gz HRKPQCLJMGOWAP-RKDXNWHRSA-N -1 3 368.919 3.043 20 0 FGADHM CCCOc1cccc(CC(=O)OCc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000821134054 607265396 /nfs/dbraw/zinc/26/53/96/607265396.db2.gz MBJUJVNSVGBDAR-UHFFFAOYSA-N -1 3 370.384 3.081 20 0 FGADHM CCCOc1cccc(CC(=O)OCc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000821134054 607265397 /nfs/dbraw/zinc/26/53/97/607265397.db2.gz MBJUJVNSVGBDAR-UHFFFAOYSA-N -1 3 370.384 3.081 20 0 FGADHM CCCC[C@@H](CC)CNC(=S)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000821039205 599228590 /nfs/dbraw/zinc/22/85/90/599228590.db2.gz BBYZMYQISRKEFR-GFCCVEGCSA-N -1 3 364.494 3.186 20 0 FGADHM CCCC[C@@H](CC)CNC(=S)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000821039205 599228593 /nfs/dbraw/zinc/22/85/93/599228593.db2.gz BBYZMYQISRKEFR-GFCCVEGCSA-N -1 3 364.494 3.186 20 0 FGADHM C[C@@H](CNC(=O)Nc1ccc(-c2nnn[n-]2)cc1)Sc1ccccc1 ZINC000820269308 599240129 /nfs/dbraw/zinc/24/01/29/599240129.db2.gz JIUXTQOSNPKWSO-LBPRGKRZSA-N -1 3 354.439 3.169 20 0 FGADHM C[C@@H](CNC(=O)Nc1ccc(-c2nn[n-]n2)cc1)Sc1ccccc1 ZINC000820269308 599240132 /nfs/dbraw/zinc/24/01/32/599240132.db2.gz JIUXTQOSNPKWSO-LBPRGKRZSA-N -1 3 354.439 3.169 20 0 FGADHM C[C@H](CNC(=O)Nc1cccc(-c2nnn[n-]2)c1)Oc1cccc(Cl)c1 ZINC000820270278 599243061 /nfs/dbraw/zinc/24/30/61/599243061.db2.gz ZBSIENWKJWELBE-LLVKDONJSA-N -1 3 372.816 3.109 20 0 FGADHM C[C@H](CNC(=O)Nc1cccc(-c2nn[n-]n2)c1)Oc1cccc(Cl)c1 ZINC000820270278 599243063 /nfs/dbraw/zinc/24/30/63/599243063.db2.gz ZBSIENWKJWELBE-LLVKDONJSA-N -1 3 372.816 3.109 20 0 FGADHM CC[C@@H](NC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccncc1 ZINC000820919519 599247188 /nfs/dbraw/zinc/24/71/88/599247188.db2.gz DYIUATPXANIUEA-CQSZACIVSA-N -1 3 357.805 3.188 20 0 FGADHM CC[C@@H](NC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccncc1 ZINC000820919519 599247190 /nfs/dbraw/zinc/24/71/90/599247190.db2.gz DYIUATPXANIUEA-CQSZACIVSA-N -1 3 357.805 3.188 20 0 FGADHM O=C([O-])Cc1cccc(NC(=O)NC[C@H]2CCCN2Cc2ccccc2)c1 ZINC000390684817 597199692 /nfs/dbraw/zinc/19/96/92/597199692.db2.gz ZMMVTSDPTUPWJO-LJQANCHMSA-N -1 3 367.449 3.100 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C=Cc1ccnc2ccccc12 ZINC000737056905 599248554 /nfs/dbraw/zinc/24/85/54/599248554.db2.gz DFNGMVFHISYPBE-VQHVLOKHSA-N -1 3 372.388 3.075 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C=Cc1ccnc2ccccc12 ZINC000737056905 599248556 /nfs/dbraw/zinc/24/85/56/599248556.db2.gz DFNGMVFHISYPBE-VQHVLOKHSA-N -1 3 372.388 3.075 20 0 FGADHM Cc1c(NC(=O)N[C@H]2CCc3cc(F)ccc32)cccc1-c1nnn[n-]1 ZINC000822091026 607281533 /nfs/dbraw/zinc/28/15/33/607281533.db2.gz NAAWTBMNQOHWKP-INIZCTEOSA-N -1 3 352.373 3.123 20 0 FGADHM Cc1c(NC(=O)N[C@H]2CCc3cc(F)ccc32)cccc1-c1nn[n-]n1 ZINC000822091026 607281534 /nfs/dbraw/zinc/28/15/34/607281534.db2.gz NAAWTBMNQOHWKP-INIZCTEOSA-N -1 3 352.373 3.123 20 0 FGADHM Cc1cccc2c1OCC[C@H]2NC(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000822340645 607281728 /nfs/dbraw/zinc/28/17/28/607281728.db2.gz ANQNZKZRJHEITC-MRXNPFEDSA-N -1 3 364.409 3.129 20 0 FGADHM Cc1cccc2c1OCC[C@H]2NC(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000822340645 607281729 /nfs/dbraw/zinc/28/17/29/607281729.db2.gz ANQNZKZRJHEITC-MRXNPFEDSA-N -1 3 364.409 3.129 20 0 FGADHM CCO[C@H]1C[C@H](NC(=O)Nc2cccc(-c3nnn[n-]3)c2C)C12CCCC2 ZINC000821357599 607281767 /nfs/dbraw/zinc/28/17/67/607281767.db2.gz FFHFHQZMNMPBIB-HOTGVXAUSA-N -1 3 370.457 3.034 20 0 FGADHM CCO[C@H]1C[C@H](NC(=O)Nc2cccc(-c3nn[n-]n3)c2C)C12CCCC2 ZINC000821357599 607281768 /nfs/dbraw/zinc/28/17/68/607281768.db2.gz FFHFHQZMNMPBIB-HOTGVXAUSA-N -1 3 370.457 3.034 20 0 FGADHM CCS[C@@H]1CCC[C@H](NC(=O)Nc2cccc(-c3nnn[n-]3)c2C)C1 ZINC000821456634 607285440 /nfs/dbraw/zinc/28/54/40/607285440.db2.gz RIPXRWHDRHYXLU-QWHCGFSZSA-N -1 3 360.487 3.361 20 0 FGADHM CCS[C@@H]1CCC[C@H](NC(=O)Nc2cccc(-c3nn[n-]n3)c2C)C1 ZINC000821456634 607285441 /nfs/dbraw/zinc/28/54/41/607285441.db2.gz RIPXRWHDRHYXLU-QWHCGFSZSA-N -1 3 360.487 3.361 20 0 FGADHM Cc1ccccc1CNc1c(-c2nnn[n-]2)cnc2c(F)ccc(F)c21 ZINC000737428207 599257583 /nfs/dbraw/zinc/25/75/83/599257583.db2.gz NBIRRAMPJIZLOO-UHFFFAOYSA-N -1 3 352.348 3.036 20 0 FGADHM Cc1ccccc1CNc1c(-c2nn[n-]n2)cnc2c(F)ccc(F)c21 ZINC000737428207 599257585 /nfs/dbraw/zinc/25/75/85/599257585.db2.gz NBIRRAMPJIZLOO-UHFFFAOYSA-N -1 3 352.348 3.036 20 0 FGADHM Cc1c(NC(=O)N2CC[C@H](c3ccc(F)cc3)C2)cccc1-c1nnn[n-]1 ZINC000822084913 607289904 /nfs/dbraw/zinc/28/99/04/607289904.db2.gz SEWWAGQBRPBLPY-AWEZNQCLSA-N -1 3 366.400 3.336 20 0 FGADHM Cc1c(NC(=O)N2CC[C@H](c3ccc(F)cc3)C2)cccc1-c1nn[n-]n1 ZINC000822084913 607289905 /nfs/dbraw/zinc/28/99/05/607289905.db2.gz SEWWAGQBRPBLPY-AWEZNQCLSA-N -1 3 366.400 3.336 20 0 FGADHM Cc1c(NC(=O)N(C)Cc2ccc(Cl)cc2)cccc1-c1nnn[n-]1 ZINC000822075332 607290622 /nfs/dbraw/zinc/29/06/22/607290622.db2.gz BXXAAJBISIYAAW-UHFFFAOYSA-N -1 3 356.817 3.492 20 0 FGADHM Cc1c(NC(=O)N(C)Cc2ccc(Cl)cc2)cccc1-c1nn[n-]n1 ZINC000822075332 607290623 /nfs/dbraw/zinc/29/06/23/607290623.db2.gz BXXAAJBISIYAAW-UHFFFAOYSA-N -1 3 356.817 3.492 20 0 FGADHM CCC(CC)(CNC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1)SC ZINC000820887769 599260025 /nfs/dbraw/zinc/26/00/25/599260025.db2.gz PWRVSHQRGFULTE-GFCCVEGCSA-N -1 3 362.503 3.149 20 0 FGADHM CCC(CC)(CNC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1)SC ZINC000820887769 599260026 /nfs/dbraw/zinc/26/00/26/599260026.db2.gz PWRVSHQRGFULTE-GFCCVEGCSA-N -1 3 362.503 3.149 20 0 FGADHM CCc1nc2cc(NCc3ccc(OC)c(-c4nnn[n-]4)c3)ccc2o1 ZINC000821508735 607309558 /nfs/dbraw/zinc/30/95/58/607309558.db2.gz AAMVNZVLXHMYDY-UHFFFAOYSA-N -1 3 350.382 3.191 20 0 FGADHM CCc1nc2cc(NCc3ccc(OC)c(-c4nn[n-]n4)c3)ccc2o1 ZINC000821508735 607309559 /nfs/dbraw/zinc/30/95/59/607309559.db2.gz AAMVNZVLXHMYDY-UHFFFAOYSA-N -1 3 350.382 3.191 20 0 FGADHM O=C1CCCCN1c1cccc(NCc2cc(-c3nnn[n-]3)cs2)c1 ZINC000823530486 607310196 /nfs/dbraw/zinc/31/01/96/607310196.db2.gz LSFXILCYCRNHSR-UHFFFAOYSA-N -1 3 354.439 3.057 20 0 FGADHM O=C1CCCCN1c1cccc(NCc2cc(-c3nn[n-]n3)cs2)c1 ZINC000823530486 607310197 /nfs/dbraw/zinc/31/01/97/607310197.db2.gz LSFXILCYCRNHSR-UHFFFAOYSA-N -1 3 354.439 3.057 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)c1ncnc2sccc21 ZINC000821109733 607305340 /nfs/dbraw/zinc/30/53/40/607305340.db2.gz NKYDHDQGXSKAIU-UHFFFAOYSA-N -1 3 351.439 3.288 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)c1ncnc2sccc21 ZINC000821109733 607305341 /nfs/dbraw/zinc/30/53/41/607305341.db2.gz NKYDHDQGXSKAIU-UHFFFAOYSA-N -1 3 351.439 3.288 20 0 FGADHM Cc1ccc(O[C@H](C)CNC(=O)Nc2cc(-c3nnn[n-]3)ccc2C)cc1 ZINC000822258769 599270914 /nfs/dbraw/zinc/27/09/14/599270914.db2.gz CAUIXKRRBCJCLH-CQSZACIVSA-N -1 3 366.425 3.073 20 0 FGADHM Cc1ccc(O[C@H](C)CNC(=O)Nc2cc(-c3nn[n-]n3)ccc2C)cc1 ZINC000822258769 599270916 /nfs/dbraw/zinc/27/09/16/599270916.db2.gz CAUIXKRRBCJCLH-CQSZACIVSA-N -1 3 366.425 3.073 20 0 FGADHM C[C@@H](NC(=O)Nc1ccc2c(c1)CCCO2)c1cccc(-c2nnn[n-]2)c1 ZINC000820379801 599273487 /nfs/dbraw/zinc/27/34/87/599273487.db2.gz HLDOIXAULGJOME-GFCCVEGCSA-N -1 3 364.409 3.074 20 0 FGADHM C[C@@H](NC(=O)Nc1ccc2c(c1)CCCO2)c1cccc(-c2nn[n-]n2)c1 ZINC000820379801 599273490 /nfs/dbraw/zinc/27/34/90/599273490.db2.gz HLDOIXAULGJOME-GFCCVEGCSA-N -1 3 364.409 3.074 20 0 FGADHM Cc1ccc(CC[C@@H](C)NC(=O)Nc2cc(-c3nnn[n-]3)ccc2C)o1 ZINC000822235186 599273714 /nfs/dbraw/zinc/27/37/14/599273714.db2.gz WYJIVYUOHGDZGG-GFCCVEGCSA-N -1 3 354.414 3.219 20 0 FGADHM Cc1ccc(CC[C@@H](C)NC(=O)Nc2cc(-c3nn[n-]n3)ccc2C)o1 ZINC000822235186 599273716 /nfs/dbraw/zinc/27/37/16/599273716.db2.gz WYJIVYUOHGDZGG-GFCCVEGCSA-N -1 3 354.414 3.219 20 0 FGADHM CO[C@H](C)c1cccc(NC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)c1 ZINC000821673467 599274895 /nfs/dbraw/zinc/27/48/95/599274895.db2.gz CATRFAFMBJINRY-LLVKDONJSA-N -1 3 370.388 3.035 20 0 FGADHM CO[C@H](C)c1cccc(NC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC000821673467 599274897 /nfs/dbraw/zinc/27/48/97/599274897.db2.gz CATRFAFMBJINRY-LLVKDONJSA-N -1 3 370.388 3.035 20 0 FGADHM CCC(CC)c1cc(CNC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)on1 ZINC000820897722 599278749 /nfs/dbraw/zinc/27/87/49/599278749.db2.gz NDGCOXOJQTVIGQ-UHFFFAOYSA-N -1 3 373.392 3.219 20 0 FGADHM CCC(CC)c1cc(CNC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)on1 ZINC000820897722 599278751 /nfs/dbraw/zinc/27/87/51/599278751.db2.gz NDGCOXOJQTVIGQ-UHFFFAOYSA-N -1 3 373.392 3.219 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(F)ccc1F ZINC000736488394 599278869 /nfs/dbraw/zinc/27/88/69/599278869.db2.gz NWEWWYAAEAAHIF-UHFFFAOYSA-N -1 3 358.352 3.219 20 0 FGADHM Cc1cnc([C@@H](NC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C2CC2)s1 ZINC000822389045 599279460 /nfs/dbraw/zinc/27/94/60/599279460.db2.gz JORDKRFXRWFXCL-ZDUSSCGKSA-N -1 3 373.417 3.044 20 0 FGADHM Cc1cnc([C@@H](NC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C2CC2)s1 ZINC000822389045 599279463 /nfs/dbraw/zinc/27/94/63/599279463.db2.gz JORDKRFXRWFXCL-ZDUSSCGKSA-N -1 3 373.417 3.044 20 0 FGADHM CCCN(C)c1ccc(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1 ZINC000821088855 607320747 /nfs/dbraw/zinc/32/07/47/607320747.db2.gz YOCCYIUSUHNQLP-UHFFFAOYSA-N -1 3 350.426 3.274 20 0 FGADHM CCCN(C)c1ccc(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1 ZINC000821088855 607320748 /nfs/dbraw/zinc/32/07/48/607320748.db2.gz YOCCYIUSUHNQLP-UHFFFAOYSA-N -1 3 350.426 3.274 20 0 FGADHM CC1(C)CCN(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C1 ZINC000820595460 599286614 /nfs/dbraw/zinc/28/66/14/599286614.db2.gz JGXAGEZBDSAQAE-UHFFFAOYSA-N -1 3 354.336 3.149 20 0 FGADHM CC1(C)CCN(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C1 ZINC000820595460 599286616 /nfs/dbraw/zinc/28/66/16/599286616.db2.gz JGXAGEZBDSAQAE-UHFFFAOYSA-N -1 3 354.336 3.149 20 0 FGADHM C[C@H]1SCCN(C(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)[C@@H]1C ZINC000736301096 599290322 /nfs/dbraw/zinc/29/03/22/599290322.db2.gz KTRPCRHBSYZTFC-RKDXNWHRSA-N -1 3 368.919 3.043 20 0 FGADHM C[C@H]1SCCN(C(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)[C@@H]1C ZINC000736301096 599290324 /nfs/dbraw/zinc/29/03/24/599290324.db2.gz KTRPCRHBSYZTFC-RKDXNWHRSA-N -1 3 368.919 3.043 20 0 FGADHM CC(C)c1nc(C2(NCc3ccc(-c4nnn[n-]4)cc3F)CCCC2)no1 ZINC000735938748 599291721 /nfs/dbraw/zinc/29/17/21/599291721.db2.gz BYLHHCIIKXPRFJ-UHFFFAOYSA-N -1 3 371.420 3.071 20 0 FGADHM CC(C)c1nc(C2(NCc3ccc(-c4nn[n-]n4)cc3F)CCCC2)no1 ZINC000735938748 599291722 /nfs/dbraw/zinc/29/17/22/599291722.db2.gz BYLHHCIIKXPRFJ-UHFFFAOYSA-N -1 3 371.420 3.071 20 0 FGADHM C[C@@H]1CC[C@H](NC(=O)c2ncc(-c3nnn[n-]3)cc2Cl)c2ccccc21 ZINC000824915403 607780195 /nfs/dbraw/zinc/78/01/95/607780195.db2.gz FLJQTKQXHXUDQY-BMIGLBTASA-N -1 3 368.828 3.284 20 0 FGADHM C[C@@H]1CC[C@H](NC(=O)c2ncc(-c3nn[n-]n3)cc2Cl)c2ccccc21 ZINC000824915403 607780196 /nfs/dbraw/zinc/78/01/96/607780196.db2.gz FLJQTKQXHXUDQY-BMIGLBTASA-N -1 3 368.828 3.284 20 0 FGADHM CCOc1ncccc1CNc1ccc(C(F)(F)F)c(-c2nnn[n-]2)c1 ZINC000821436614 607346244 /nfs/dbraw/zinc/34/62/44/607346244.db2.gz CZCZEYMRPJNJTL-UHFFFAOYSA-N -1 3 364.331 3.291 20 0 FGADHM CCOc1ncccc1CNc1ccc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC000821436614 607346245 /nfs/dbraw/zinc/34/62/45/607346245.db2.gz CZCZEYMRPJNJTL-UHFFFAOYSA-N -1 3 364.331 3.291 20 0 FGADHM O=C([O-])c1cccc(CNCc2cccc(NC(=O)c3ccccn3)c2)c1 ZINC000821552258 598203014 /nfs/dbraw/zinc/20/30/14/598203014.db2.gz DFNLHLUMVSYWRR-UHFFFAOYSA-N -1 3 361.401 3.322 20 0 FGADHM CC[C@H](OC)C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736380945 598231834 /nfs/dbraw/zinc/23/18/34/598231834.db2.gz GJQVUHDFDGBDIN-INIZCTEOSA-N -1 3 353.382 3.023 20 0 FGADHM CC[C@H](OC)C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736380945 598231835 /nfs/dbraw/zinc/23/18/35/598231835.db2.gz GJQVUHDFDGBDIN-INIZCTEOSA-N -1 3 353.382 3.023 20 0 FGADHM CC[C@H](C)[C@H](C)N(C(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000736333778 598240758 /nfs/dbraw/zinc/24/07/58/598240758.db2.gz VCDOLQBYZILXCJ-IHRRRGAJSA-N -1 3 357.458 3.060 20 0 FGADHM Cc1cccc2c1CCN(Cn1ccc(-c3ccc(-c4nnn[n-]4)cc3)n1)C2 ZINC000737407733 598243663 /nfs/dbraw/zinc/24/36/63/598243663.db2.gz DTWAMLNONDMDAF-UHFFFAOYSA-N -1 3 371.448 3.054 20 0 FGADHM Cc1cccc2c1CCN(Cn1ccc(-c3ccc(-c4nn[n-]n4)cc3)n1)C2 ZINC000737407733 598243665 /nfs/dbraw/zinc/24/36/65/598243665.db2.gz DTWAMLNONDMDAF-UHFFFAOYSA-N -1 3 371.448 3.054 20 0 FGADHM CCC(CC)CNC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000736342598 598265423 /nfs/dbraw/zinc/26/54/23/598265423.db2.gz QHZSYCISFQUEAT-UHFFFAOYSA-N -1 3 354.361 3.026 20 0 FGADHM CCC(CC)CNC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000736342598 598265424 /nfs/dbraw/zinc/26/54/24/598265424.db2.gz QHZSYCISFQUEAT-UHFFFAOYSA-N -1 3 354.361 3.026 20 0 FGADHM C[C@H](Cc1cccs1)NC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736067784 598278374 /nfs/dbraw/zinc/27/83/74/598278374.db2.gz ZXDOZVZFNXRIMU-LLVKDONJSA-N -1 3 373.486 3.237 20 0 FGADHM C[C@H](Cc1cccs1)NC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736067784 598278377 /nfs/dbraw/zinc/27/83/77/598278377.db2.gz ZXDOZVZFNXRIMU-LLVKDONJSA-N -1 3 373.486 3.237 20 0 FGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N[C@@H]1C[C@@H]1c1ccccc1 ZINC000735660790 598278700 /nfs/dbraw/zinc/27/87/00/598278700.db2.gz PDFPXBXSWIWEIQ-HUUCEWRRSA-N -1 3 365.441 3.101 20 0 FGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N[C@@H]1C[C@@H]1c1ccccc1 ZINC000735660790 598278702 /nfs/dbraw/zinc/27/87/02/598278702.db2.gz PDFPXBXSWIWEIQ-HUUCEWRRSA-N -1 3 365.441 3.101 20 0 FGADHM Cc1cccc2[nH]cc(CC(=O)N(C)c3ccc(-c4nnn[n-]4)cc3F)c21 ZINC000737408421 598279656 /nfs/dbraw/zinc/27/96/56/598279656.db2.gz MBTLMABNFJZLNN-UHFFFAOYSA-N -1 3 364.384 3.001 20 0 FGADHM Cc1cccc2[nH]cc(CC(=O)N(C)c3ccc(-c4nn[n-]n4)cc3F)c21 ZINC000737408421 598279657 /nfs/dbraw/zinc/27/96/57/598279657.db2.gz MBTLMABNFJZLNN-UHFFFAOYSA-N -1 3 364.384 3.001 20 0 FGADHM CN(C(=O)c1cc2c(s1)CCCC2)c1ccc(-c2nnn[n-]2)cc1F ZINC000736746708 598281976 /nfs/dbraw/zinc/28/19/76/598281976.db2.gz ARIQVMMMRPJPNO-UHFFFAOYSA-N -1 3 357.414 3.223 20 0 FGADHM CN(C(=O)c1cc2c(s1)CCCC2)c1ccc(-c2nn[n-]n2)cc1F ZINC000736746708 598281977 /nfs/dbraw/zinc/28/19/77/598281977.db2.gz ARIQVMMMRPJPNO-UHFFFAOYSA-N -1 3 357.414 3.223 20 0 FGADHM O=C(OCc1ccccc1-c1nnn[n-]1)c1ccccc1OCC1CC1 ZINC000738235142 598290263 /nfs/dbraw/zinc/29/02/63/598290263.db2.gz NWPXZVGUAAVDIX-UHFFFAOYSA-N -1 3 350.378 3.013 20 0 FGADHM O=C(OCc1ccccc1-c1nn[n-]n1)c1ccccc1OCC1CC1 ZINC000738235142 598290265 /nfs/dbraw/zinc/29/02/65/598290265.db2.gz NWPXZVGUAAVDIX-UHFFFAOYSA-N -1 3 350.378 3.013 20 0 FGADHM C[C@]1(C(=O)OCc2ccc(-c3nnn[n-]3)cc2F)CCCc2ccccc21 ZINC000736206373 598290542 /nfs/dbraw/zinc/29/05/42/598290542.db2.gz NKTSRLOVJTXHQX-FQEVSTJZSA-N -1 3 366.396 3.343 20 0 FGADHM C[C@]1(C(=O)OCc2ccc(-c3nn[n-]n3)cc2F)CCCc2ccccc21 ZINC000736206373 598290543 /nfs/dbraw/zinc/29/05/43/598290543.db2.gz NKTSRLOVJTXHQX-FQEVSTJZSA-N -1 3 366.396 3.343 20 0 FGADHM CC[C@@H](CC(=O)NCc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000736335287 598297569 /nfs/dbraw/zinc/29/75/69/598297569.db2.gz ZLTCBRWRIOVEIO-ZDUSSCGKSA-N -1 3 353.401 3.206 20 0 FGADHM CC[C@@H](CC(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000736335287 598297570 /nfs/dbraw/zinc/29/75/70/598297570.db2.gz ZLTCBRWRIOVEIO-ZDUSSCGKSA-N -1 3 353.401 3.206 20 0 FGADHM O=C(C=Cc1ccc(Cl)s1)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737793898 598303968 /nfs/dbraw/zinc/30/39/68/598303968.db2.gz AAUITLJUEWFZCC-GQCTYLIASA-N -1 3 363.805 3.050 20 0 FGADHM O=C(C=Cc1ccc(Cl)s1)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737793898 598303969 /nfs/dbraw/zinc/30/39/69/598303969.db2.gz AAUITLJUEWFZCC-GQCTYLIASA-N -1 3 363.805 3.050 20 0 FGADHM O=C(CC12CC3CC(CC(C3)C1)C2)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737807075 598306036 /nfs/dbraw/zinc/30/60/36/598306036.db2.gz JLSQHRUGZATPKX-UHFFFAOYSA-N -1 3 369.444 3.229 20 0 FGADHM O=C(CC12CC3CC(CC(C3)C1)C2)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737807075 598306038 /nfs/dbraw/zinc/30/60/38/598306038.db2.gz JLSQHRUGZATPKX-UHFFFAOYSA-N -1 3 369.444 3.229 20 0 FGADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OCCc1ccsc1 ZINC000735735980 598306534 /nfs/dbraw/zinc/30/65/34/598306534.db2.gz RBCOUJQIHKQCHT-INIZCTEOSA-N -1 3 372.450 3.118 20 0 FGADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)OCCc1ccsc1 ZINC000735735980 598306535 /nfs/dbraw/zinc/30/65/35/598306535.db2.gz RBCOUJQIHKQCHT-INIZCTEOSA-N -1 3 372.450 3.118 20 0 FGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)c1c[nH]c2cc(Cl)ccc12 ZINC000738100682 598307972 /nfs/dbraw/zinc/30/79/72/598307972.db2.gz PJJFQPJTIJTKCY-UHFFFAOYSA-N -1 3 370.775 3.071 20 0 FGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)c1c[nH]c2cc(Cl)ccc12 ZINC000738100682 598307975 /nfs/dbraw/zinc/30/79/75/598307975.db2.gz PJJFQPJTIJTKCY-UHFFFAOYSA-N -1 3 370.775 3.071 20 0 FGADHM C[C@@H]1CCc2sc(C(=O)N(C)c3ccc(-c4nnn[n-]4)cc3F)cc2C1 ZINC000736278987 598311230 /nfs/dbraw/zinc/31/12/30/598311230.db2.gz INJDWJNUXAGEHA-SNVBAGLBSA-N -1 3 371.441 3.469 20 0 FGADHM C[C@@H]1CCc2sc(C(=O)N(C)c3ccc(-c4nn[n-]n4)cc3F)cc2C1 ZINC000736278987 598311231 /nfs/dbraw/zinc/31/12/31/598311231.db2.gz INJDWJNUXAGEHA-SNVBAGLBSA-N -1 3 371.441 3.469 20 0 FGADHM Fc1cc(-c2nnn[n-]2)ccc1CNCc1csc(-c2cccs2)n1 ZINC000737638980 598315002 /nfs/dbraw/zinc/31/50/02/598315002.db2.gz LYZPFSIUKMLGOH-UHFFFAOYSA-N -1 3 372.454 3.481 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1CNCc1csc(-c2cccs2)n1 ZINC000737638980 598315004 /nfs/dbraw/zinc/31/50/04/598315004.db2.gz LYZPFSIUKMLGOH-UHFFFAOYSA-N -1 3 372.454 3.481 20 0 FGADHM S=C(NCCc1ccccc1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000738401711 598316647 /nfs/dbraw/zinc/31/66/47/598316647.db2.gz RXXRGQQAVSKRCK-UHFFFAOYSA-N -1 3 358.858 3.049 20 0 FGADHM S=C(NCCc1ccccc1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000738401711 598316649 /nfs/dbraw/zinc/31/66/49/598316649.db2.gz RXXRGQQAVSKRCK-UHFFFAOYSA-N -1 3 358.858 3.049 20 0 FGADHM c1cn2cc(CSc3nc4c(cc3-c3nnn[n-]3)CCCC4)nc2s1 ZINC000738445986 598316654 /nfs/dbraw/zinc/31/66/54/598316654.db2.gz QTASCQLZEKDRST-UHFFFAOYSA-N -1 3 369.479 3.142 20 0 FGADHM c1cn2cc(CSc3nc4c(cc3-c3nn[n-]n3)CCCC4)nc2s1 ZINC000738445986 598316655 /nfs/dbraw/zinc/31/66/55/598316655.db2.gz QTASCQLZEKDRST-UHFFFAOYSA-N -1 3 369.479 3.142 20 0 FGADHM C[C@H]1c2cccn2CCN1C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736304872 598317154 /nfs/dbraw/zinc/31/71/54/598317154.db2.gz RDSIOAWRZACTMZ-JTQLQIEISA-N -1 3 373.873 3.095 20 0 FGADHM C[C@H]1c2cccn2CCN1C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736304872 598317156 /nfs/dbraw/zinc/31/71/56/598317156.db2.gz RDSIOAWRZACTMZ-JTQLQIEISA-N -1 3 373.873 3.095 20 0 FGADHM Cc1ccc([C@H](C)NC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1C ZINC000737320717 598319090 /nfs/dbraw/zinc/31/90/90/598319090.db2.gz ODSCCNWSDLJVFT-ZDUSSCGKSA-N -1 3 368.416 3.183 20 0 FGADHM Cc1ccc([C@H](C)NC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1C ZINC000737320717 598319091 /nfs/dbraw/zinc/31/90/91/598319091.db2.gz ODSCCNWSDLJVFT-ZDUSSCGKSA-N -1 3 368.416 3.183 20 0 FGADHM Cc1ccc([C@H](C)NC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)c(C)c1 ZINC000737319796 598319370 /nfs/dbraw/zinc/31/93/70/598319370.db2.gz GVHYGUBQROOLEH-ZDUSSCGKSA-N -1 3 368.416 3.183 20 0 FGADHM Cc1ccc([C@H](C)NC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)c(C)c1 ZINC000737319796 598319372 /nfs/dbraw/zinc/31/93/72/598319372.db2.gz GVHYGUBQROOLEH-ZDUSSCGKSA-N -1 3 368.416 3.183 20 0 FGADHM CC(C)CN(C(=O)c1cccc(F)c1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000735817793 598326593 /nfs/dbraw/zinc/32/65/93/598326593.db2.gz DNBVEMKASIFWLL-UHFFFAOYSA-N -1 3 357.364 3.448 20 0 FGADHM CC(C)CN(C(=O)c1cccc(F)c1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000735817793 598326595 /nfs/dbraw/zinc/32/65/95/598326595.db2.gz DNBVEMKASIFWLL-UHFFFAOYSA-N -1 3 357.364 3.448 20 0 FGADHM CC[C@@H](NC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000736370140 598327674 /nfs/dbraw/zinc/32/76/74/598327674.db2.gz MHAAQVPNCSQTEU-MRXNPFEDSA-N -1 3 369.425 3.203 20 0 FGADHM CC[C@@H](NC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000736370140 598327676 /nfs/dbraw/zinc/32/76/76/598327676.db2.gz MHAAQVPNCSQTEU-MRXNPFEDSA-N -1 3 369.425 3.203 20 0 FGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)N1CCC[C@H]1c1cccs1 ZINC000738099454 598329613 /nfs/dbraw/zinc/32/96/13/598329613.db2.gz FRHWATXHMCWHBF-AWEZNQCLSA-N -1 3 372.429 3.114 20 0 FGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)N1CCC[C@H]1c1cccs1 ZINC000738099454 598329615 /nfs/dbraw/zinc/32/96/15/598329615.db2.gz FRHWATXHMCWHBF-AWEZNQCLSA-N -1 3 372.429 3.114 20 0 FGADHM CC[C@@H](COC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000736354502 598330980 /nfs/dbraw/zinc/33/09/80/598330980.db2.gz UFPLVYOCTVHZLQ-CABCVRRESA-N -1 3 366.421 3.371 20 0 FGADHM CC[C@@H](COC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000736354502 598330982 /nfs/dbraw/zinc/33/09/82/598330982.db2.gz UFPLVYOCTVHZLQ-CABCVRRESA-N -1 3 366.421 3.371 20 0 FGADHM CC[C@@H](COC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000736355370 598331871 /nfs/dbraw/zinc/33/18/71/598331871.db2.gz ZWVRSOWUKRUESA-GJZGRUSLSA-N -1 3 366.421 3.371 20 0 FGADHM Cc1ccc(Cl)cc1N1CC[C@@H](CNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC000737342489 598353476 /nfs/dbraw/zinc/35/34/76/598353476.db2.gz FOCLSHLBAWFCGB-ZDUSSCGKSA-N -1 3 369.860 3.162 20 0 FGADHM Cc1ccc(Cl)cc1N1CC[C@@H](CNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC000737342489 598353478 /nfs/dbraw/zinc/35/34/78/598353478.db2.gz FOCLSHLBAWFCGB-ZDUSSCGKSA-N -1 3 369.860 3.162 20 0 FGADHM O=C(OC1CCCC1)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000738213063 598363825 /nfs/dbraw/zinc/36/38/25/598363825.db2.gz DVBPLNXPKVDROO-UHFFFAOYSA-N -1 3 354.366 3.138 20 0 FGADHM O=C(OC1CCCC1)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000738213063 598363827 /nfs/dbraw/zinc/36/38/27/598363827.db2.gz DVBPLNXPKVDROO-UHFFFAOYSA-N -1 3 354.366 3.138 20 0 FGADHM COC(=O)c1sc2ccccc2c1CNc1ccc(-c2nn[n-]n2)cc1 ZINC000736956325 598369674 /nfs/dbraw/zinc/36/96/74/598369674.db2.gz GYFSIYIQIZLSFM-UHFFFAOYSA-N -1 3 365.418 3.480 20 0 FGADHM COC(=O)c1sc2ccccc2c1CNc1cccc(-c2nnn[n-]2)c1 ZINC000736958145 598369760 /nfs/dbraw/zinc/36/97/60/598369760.db2.gz ZPJFNYPDJXYPSL-UHFFFAOYSA-N -1 3 365.418 3.480 20 0 FGADHM COC(=O)c1sc2ccccc2c1CNc1cccc(-c2nn[n-]n2)c1 ZINC000736958145 598369761 /nfs/dbraw/zinc/36/97/61/598369761.db2.gz ZPJFNYPDJXYPSL-UHFFFAOYSA-N -1 3 365.418 3.480 20 0 FGADHM CC(C)Oc1ccccc1C(=O)OCc1ccc(-c2nnn[n-]2)cc1F ZINC000735914900 598370815 /nfs/dbraw/zinc/37/08/15/598370815.db2.gz WZHJCUMMSGGULK-UHFFFAOYSA-N -1 3 356.357 3.150 20 0 FGADHM CC(C)Oc1ccccc1C(=O)OCc1ccc(-c2nn[n-]n2)cc1F ZINC000735914900 598370817 /nfs/dbraw/zinc/37/08/17/598370817.db2.gz WZHJCUMMSGGULK-UHFFFAOYSA-N -1 3 356.357 3.150 20 0 FGADHM C[C@@H](C1CC1)N(C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C)C1CC1 ZINC000735963647 598375379 /nfs/dbraw/zinc/37/53/79/598375379.db2.gz IXZFJJMUBAWEPC-NSHDSACASA-N -1 3 357.462 3.218 20 0 FGADHM C[C@@H](C1CC1)N(C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C)C1CC1 ZINC000735963647 598375381 /nfs/dbraw/zinc/37/53/81/598375381.db2.gz IXZFJJMUBAWEPC-NSHDSACASA-N -1 3 357.462 3.218 20 0 FGADHM Cc1cc(C)c(C=C2N=C(c3ccc(-c4nnn[n-]4)cc3)OC2=O)cc1C ZINC000737246670 598380440 /nfs/dbraw/zinc/38/04/40/598380440.db2.gz OYCBJRYCQWIWTL-LICLKQGHSA-N -1 3 359.389 3.136 20 0 FGADHM Cc1cc(C)c(C=C2N=C(c3ccc(-c4nn[n-]n4)cc3)OC2=O)cc1C ZINC000737246670 598380441 /nfs/dbraw/zinc/38/04/41/598380441.db2.gz OYCBJRYCQWIWTL-LICLKQGHSA-N -1 3 359.389 3.136 20 0 FGADHM C[C@@H](NC(=O)N1CCCc2ccccc2C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736115679 598390500 /nfs/dbraw/zinc/39/05/00/598390500.db2.gz ZIHNRPOBIONAHQ-CQSZACIVSA-N -1 3 362.437 3.086 20 0 FGADHM C[C@@H](NC(=O)N1CCCc2ccccc2C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736115679 598390501 /nfs/dbraw/zinc/39/05/01/598390501.db2.gz ZIHNRPOBIONAHQ-CQSZACIVSA-N -1 3 362.437 3.086 20 0 FGADHM Cc1ccc(OCCCCNc2ncc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000737366916 598391158 /nfs/dbraw/zinc/39/11/58/598391158.db2.gz WHSMRUJDNCAJDP-UHFFFAOYSA-N -1 3 358.833 3.495 20 0 FGADHM Cc1ccc(OCCCCNc2ncc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000737366916 598391160 /nfs/dbraw/zinc/39/11/60/598391160.db2.gz WHSMRUJDNCAJDP-UHFFFAOYSA-N -1 3 358.833 3.495 20 0 FGADHM COc1ccccc1C1(CNc2ncc(-c3nnn[n-]3)cc2Cl)CC1 ZINC000737147490 598393572 /nfs/dbraw/zinc/39/35/72/598393572.db2.gz LTSVDGRSFWLNSK-UHFFFAOYSA-N -1 3 356.817 3.067 20 0 FGADHM COc1ccccc1C1(CNc2ncc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000737147490 598393574 /nfs/dbraw/zinc/39/35/74/598393574.db2.gz LTSVDGRSFWLNSK-UHFFFAOYSA-N -1 3 356.817 3.067 20 0 FGADHM Clc1cc(-c2nnn[n-]2)cnc1N1CCC(OC2CCCCC2)CC1 ZINC000737563726 598393695 /nfs/dbraw/zinc/39/36/95/598393695.db2.gz PNBTZOKPUCZUAC-UHFFFAOYSA-N -1 3 362.865 3.233 20 0 FGADHM Clc1cc(-c2nn[n-]n2)cnc1N1CCC(OC2CCCCC2)CC1 ZINC000737563726 598393697 /nfs/dbraw/zinc/39/36/97/598393697.db2.gz PNBTZOKPUCZUAC-UHFFFAOYSA-N -1 3 362.865 3.233 20 0 FGADHM COc1ccc(-c2cc(COc3ccc(-c4nn[n-]n4)cc3C)on2)cc1 ZINC000737055864 598394856 /nfs/dbraw/zinc/39/48/56/598394856.db2.gz QCYQQWWAMRGJKI-UHFFFAOYSA-N -1 3 363.377 3.418 20 0 FGADHM Cc1cn(-c2ccccc2)nc1NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000737443038 598400127 /nfs/dbraw/zinc/40/01/27/598400127.db2.gz SYBNHVIKLHFSGP-QXMHVHEDSA-N -1 3 371.404 3.013 20 0 FGADHM Cc1cn(-c2ccccc2)nc1NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000737443038 598400128 /nfs/dbraw/zinc/40/01/28/598400128.db2.gz SYBNHVIKLHFSGP-QXMHVHEDSA-N -1 3 371.404 3.013 20 0 FGADHM COc1ccccc1C/C(C)=C/C(=O)OCc1ccccc1-c1nnn[n-]1 ZINC000737151773 598412618 /nfs/dbraw/zinc/41/26/18/598412618.db2.gz DWOFTUNQCHQVHP-WYMLVPIESA-N -1 3 364.405 3.108 20 0 FGADHM COc1ccccc1C/C(C)=C/C(=O)OCc1ccccc1-c1nn[n-]n1 ZINC000737151773 598412619 /nfs/dbraw/zinc/41/26/19/598412619.db2.gz DWOFTUNQCHQVHP-WYMLVPIESA-N -1 3 364.405 3.108 20 0 FGADHM CC(C)[C@H](Sc1ccccc1)C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000735735282 598416202 /nfs/dbraw/zinc/41/62/02/598416202.db2.gz NRZLJNIQIHKVOO-KRWDZBQOSA-N -1 3 367.478 3.300 20 0 FGADHM CC(C)[C@H](Sc1ccccc1)C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000735735282 598416203 /nfs/dbraw/zinc/41/62/03/598416203.db2.gz NRZLJNIQIHKVOO-KRWDZBQOSA-N -1 3 367.478 3.300 20 0 FGADHM Cc1cc(C)c(C)c(OCCC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000737245488 598421355 /nfs/dbraw/zinc/42/13/55/598421355.db2.gz CZEZYWSDOBXOKD-UHFFFAOYSA-N -1 3 369.400 3.339 20 0 FGADHM Cc1cc(C)c(C)c(OCCC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000737245488 598421357 /nfs/dbraw/zinc/42/13/57/598421357.db2.gz CZEZYWSDOBXOKD-UHFFFAOYSA-N -1 3 369.400 3.339 20 0 FGADHM CCCCN(C)c1ccc(NC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736452288 598424385 /nfs/dbraw/zinc/42/43/85/598424385.db2.gz DTAVRLXGFXSJAX-UHFFFAOYSA-N -1 3 350.426 3.355 20 0 FGADHM CCCCN(C)c1ccc(NC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736452288 598424387 /nfs/dbraw/zinc/42/43/87/598424387.db2.gz DTAVRLXGFXSJAX-UHFFFAOYSA-N -1 3 350.426 3.355 20 0 FGADHM CN(Cc1ccc(F)cc1Cl)C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000736818919 598429993 /nfs/dbraw/zinc/42/99/93/598429993.db2.gz DQBYPTYRCIHCDK-UHFFFAOYSA-N -1 3 374.807 3.001 20 0 FGADHM CN(Cc1ccc(F)cc1Cl)C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000736818919 598429995 /nfs/dbraw/zinc/42/99/95/598429995.db2.gz DQBYPTYRCIHCDK-UHFFFAOYSA-N -1 3 374.807 3.001 20 0 FGADHM Cc1cc(C(=O)Nc2ccccc2-c2nnn[n-]2)cc(C)c1OC(F)F ZINC000737237728 598436003 /nfs/dbraw/zinc/43/60/03/598436003.db2.gz DQYBVXMHOSADBJ-UHFFFAOYSA-N -1 3 359.336 3.337 20 0 FGADHM Cc1cc(C(=O)Nc2ccccc2-c2nn[n-]n2)cc(C)c1OC(F)F ZINC000737237728 598436004 /nfs/dbraw/zinc/43/60/04/598436004.db2.gz DQYBVXMHOSADBJ-UHFFFAOYSA-N -1 3 359.336 3.337 20 0 FGADHM CCCCN(C(=O)c1ccc(-c2nnn[n-]2)cn1)[C@H](C)c1ccccc1 ZINC000736451579 598442281 /nfs/dbraw/zinc/44/22/81/598442281.db2.gz MLEJSPZUGNPPQV-CQSZACIVSA-N -1 3 350.426 3.265 20 0 FGADHM CCCCN(C(=O)c1ccc(-c2nn[n-]n2)cn1)[C@H](C)c1ccccc1 ZINC000736451579 598442283 /nfs/dbraw/zinc/44/22/83/598442283.db2.gz MLEJSPZUGNPPQV-CQSZACIVSA-N -1 3 350.426 3.265 20 0 FGADHM CC(C)(NC(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)cc1 ZINC000735671758 598449910 /nfs/dbraw/zinc/44/99/10/598449910.db2.gz GLPMCIXOHHZWBH-UHFFFAOYSA-N -1 3 355.829 3.114 20 0 FGADHM CC(C)(NC(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)cc1 ZINC000735671758 598449912 /nfs/dbraw/zinc/44/99/12/598449912.db2.gz GLPMCIXOHHZWBH-UHFFFAOYSA-N -1 3 355.829 3.114 20 0 FGADHM Cc1cc(Nc2cnn(C(C)C)c2)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000737281271 598457408 /nfs/dbraw/zinc/45/74/08/598457408.db2.gz SOEBFKRFPGGTFW-UHFFFAOYSA-N -1 3 373.424 3.497 20 0 FGADHM Cc1cc(Nc2cnn(C(C)C)c2)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC000737281271 598457409 /nfs/dbraw/zinc/45/74/09/598457409.db2.gz SOEBFKRFPGGTFW-UHFFFAOYSA-N -1 3 373.424 3.497 20 0 FGADHM CC1(C)CO[C@@H](c2ccccc2)CN1Cc1ccc(-c2nnn[n-]2)cc1F ZINC000736212663 598462025 /nfs/dbraw/zinc/46/20/25/598462025.db2.gz CTSJDLQQPBEOIP-GOSISDBHSA-N -1 3 367.428 3.358 20 0 FGADHM CC1(C)CO[C@@H](c2ccccc2)CN1Cc1ccc(-c2nn[n-]n2)cc1F ZINC000736212663 598462027 /nfs/dbraw/zinc/46/20/27/598462027.db2.gz CTSJDLQQPBEOIP-GOSISDBHSA-N -1 3 367.428 3.358 20 0 FGADHM C[C@@H]1CCCC[C@H]1NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000736271046 598476185 /nfs/dbraw/zinc/47/61/85/598476185.db2.gz MGJTWWSQHKWZRQ-CXAGYDPISA-N -1 3 354.458 3.119 20 0 FGADHM C[C@@H]1CCCC[C@H]1NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000736271046 598476186 /nfs/dbraw/zinc/47/61/86/598476186.db2.gz MGJTWWSQHKWZRQ-CXAGYDPISA-N -1 3 354.458 3.119 20 0 FGADHM CC(C)(NC(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)cc1 ZINC000735671964 598477402 /nfs/dbraw/zinc/47/74/02/598477402.db2.gz WXDFRUBNSTUMKW-UHFFFAOYSA-N -1 3 370.844 3.255 20 0 FGADHM CC(C)(NC(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)cc1 ZINC000735671964 598477403 /nfs/dbraw/zinc/47/74/03/598477403.db2.gz WXDFRUBNSTUMKW-UHFFFAOYSA-N -1 3 370.844 3.255 20 0 FGADHM C[C@H]1CCCC[C@@H]1CNC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000736270972 598479245 /nfs/dbraw/zinc/47/92/45/598479245.db2.gz LCPRJFNPCCLHEA-WMLDXEAASA-N -1 3 368.485 3.367 20 0 FGADHM C[C@H]1CCCC[C@@H]1CNC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000736270972 598479246 /nfs/dbraw/zinc/47/92/46/598479246.db2.gz LCPRJFNPCCLHEA-WMLDXEAASA-N -1 3 368.485 3.367 20 0 FGADHM C[C@H](OC(=O)Cc1ccc(OC(F)F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000736155123 598486186 /nfs/dbraw/zinc/48/61/86/598486186.db2.gz HUHRYDSEKNWEGZ-NSHDSACASA-N -1 3 374.347 3.315 20 0 FGADHM C[C@H](OC(=O)Cc1ccc(OC(F)F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000736155123 598486187 /nfs/dbraw/zinc/48/61/87/598486187.db2.gz HUHRYDSEKNWEGZ-NSHDSACASA-N -1 3 374.347 3.315 20 0 FGADHM C[C@H](OC(=O)c1coc(Br)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000736162051 598486822 /nfs/dbraw/zinc/48/68/22/598486822.db2.gz FTKUCDNAPVUOBT-QMMMGPOBSA-N -1 3 363.171 3.140 20 0 FGADHM C[C@H](OC(=O)c1coc(Br)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000736162051 598486824 /nfs/dbraw/zinc/48/68/24/598486824.db2.gz FTKUCDNAPVUOBT-QMMMGPOBSA-N -1 3 363.171 3.140 20 0 FGADHM Cc1cccc(OCCC(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000737400722 598487079 /nfs/dbraw/zinc/48/70/79/598487079.db2.gz GBBMJUNMBZYYSX-CQSZACIVSA-N -1 3 352.394 3.248 20 0 FGADHM Cc1cccc(OCCC(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737400722 598487081 /nfs/dbraw/zinc/48/70/81/598487081.db2.gz GBBMJUNMBZYYSX-CQSZACIVSA-N -1 3 352.394 3.248 20 0 FGADHM COc1ccc(C=CC(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)cc1 ZINC000737081264 598488872 /nfs/dbraw/zinc/48/88/72/598488872.db2.gz MNKXCAPDOPFWTA-JXMROGBWSA-N -1 3 366.425 3.084 20 0 FGADHM COc1ccc(C=CC(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)cc1 ZINC000737081264 598488874 /nfs/dbraw/zinc/48/88/74/598488874.db2.gz MNKXCAPDOPFWTA-JXMROGBWSA-N -1 3 366.425 3.084 20 0 FGADHM COc1ccccc1CCC(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000737150798 598489596 /nfs/dbraw/zinc/48/95/96/598489596.db2.gz VYBLSAIDIOUDBK-CYBMUJFWSA-N -1 3 352.394 3.112 20 0 FGADHM COc1ccccc1CCC(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000737150798 598489598 /nfs/dbraw/zinc/48/95/98/598489598.db2.gz VYBLSAIDIOUDBK-CYBMUJFWSA-N -1 3 352.394 3.112 20 0 FGADHM Cc1ccc(OCC(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)c(C)c1 ZINC000737366248 598489928 /nfs/dbraw/zinc/48/99/28/598489928.db2.gz VVCDXYHNRKWPIT-CQSZACIVSA-N -1 3 352.394 3.167 20 0 FGADHM Cc1ccc(OCC(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)c(C)c1 ZINC000737366248 598489930 /nfs/dbraw/zinc/48/99/30/598489930.db2.gz VVCDXYHNRKWPIT-CQSZACIVSA-N -1 3 352.394 3.167 20 0 FGADHM Cc1cccc(C)c1OCC(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000737389368 598490324 /nfs/dbraw/zinc/49/03/24/598490324.db2.gz IBEUSEFESJSKNU-AWEZNQCLSA-N -1 3 352.394 3.167 20 0 FGADHM Cc1cccc(C)c1OCC(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000737389368 598490325 /nfs/dbraw/zinc/49/03/25/598490325.db2.gz IBEUSEFESJSKNU-AWEZNQCLSA-N -1 3 352.394 3.167 20 0 FGADHM COc1cc(Cl)ccc1C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000737046903 598491217 /nfs/dbraw/zinc/49/12/17/598491217.db2.gz HIJVKYYKUUKYBF-UHFFFAOYSA-N -1 3 374.832 3.338 20 0 FGADHM COc1cc(Cl)ccc1C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000737046903 598491219 /nfs/dbraw/zinc/49/12/19/598491219.db2.gz HIJVKYYKUUKYBF-UHFFFAOYSA-N -1 3 374.832 3.338 20 0 FGADHM CCOc1ccc(CC(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)cc1 ZINC000736643798 598491306 /nfs/dbraw/zinc/49/13/06/598491306.db2.gz MSBCUPOCTSPTTO-UHFFFAOYSA-N -1 3 368.441 3.003 20 0 FGADHM CCOc1ccc(CC(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)cc1 ZINC000736643798 598491308 /nfs/dbraw/zinc/49/13/08/598491308.db2.gz MSBCUPOCTSPTTO-UHFFFAOYSA-N -1 3 368.441 3.003 20 0 FGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H]1CC[C@H](C)CC1 ZINC000735905906 598514806 /nfs/dbraw/zinc/51/48/06/598514806.db2.gz NOBPZDQXIDEUOV-MQMHXKEQSA-N -1 3 358.446 3.354 20 0 FGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H]1CC[C@H](C)CC1 ZINC000735905906 598514807 /nfs/dbraw/zinc/51/48/07/598514807.db2.gz NOBPZDQXIDEUOV-MQMHXKEQSA-N -1 3 358.446 3.354 20 0 FGADHM CCc1c(C)sc(NC(=O)c2ccc(OC)cc2F)c1-c1nnn[n-]1 ZINC000736675260 598517681 /nfs/dbraw/zinc/51/76/81/598517681.db2.gz IUUZGCOSFIERFQ-UHFFFAOYSA-N -1 3 361.402 3.199 20 0 FGADHM CCc1c(C)sc(NC(=O)c2ccc(OC)cc2F)c1-c1nn[n-]n1 ZINC000736675260 598517683 /nfs/dbraw/zinc/51/76/83/598517683.db2.gz IUUZGCOSFIERFQ-UHFFFAOYSA-N -1 3 361.402 3.199 20 0 FGADHM CCC[C@H](Cc1ccccc1)NC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000736427120 598527525 /nfs/dbraw/zinc/52/75/25/598527525.db2.gz UBHMACNWDJNUMF-GOSISDBHSA-N -1 3 364.453 3.077 20 0 FGADHM CCC[C@H](Cc1ccccc1)NC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000736427120 598527527 /nfs/dbraw/zinc/52/75/27/598527527.db2.gz UBHMACNWDJNUMF-GOSISDBHSA-N -1 3 364.453 3.077 20 0 FGADHM Cc1cc(Oc2ccc(-c3nnn[n-]3)cc2)ccc1NC(=O)N[C@H]1C[C@@H]1C ZINC000737278611 598533109 /nfs/dbraw/zinc/53/31/09/598533109.db2.gz BXRGWKSIDFULLB-SJCJKPOMSA-N -1 3 364.409 3.497 20 0 FGADHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1NC(=O)N[C@H]1C[C@@H]1C ZINC000737278611 598533111 /nfs/dbraw/zinc/53/31/11/598533111.db2.gz BXRGWKSIDFULLB-SJCJKPOMSA-N -1 3 364.409 3.497 20 0 FGADHM CC[C@@H](NC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1)C(C)C ZINC000736361575 598540023 /nfs/dbraw/zinc/54/00/23/598540023.db2.gz FAKBYKYMOPCKJW-MRXNPFEDSA-N -1 3 369.425 3.203 20 0 FGADHM CC[C@H](NC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1)C(C)C ZINC000736361574 598540027 /nfs/dbraw/zinc/54/00/27/598540027.db2.gz FAKBYKYMOPCKJW-INIZCTEOSA-N -1 3 369.425 3.203 20 0 FGADHM CCCC(C)(C)NC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000736415607 598540660 /nfs/dbraw/zinc/54/06/60/598540660.db2.gz HCVXXYXTSFFIDS-UHFFFAOYSA-N -1 3 369.425 3.347 20 0 FGADHM O=C(Nc1ccc(F)cc1C(F)(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000738165587 598544644 /nfs/dbraw/zinc/54/46/44/598544644.db2.gz JTOZSGXAZOHCMS-UHFFFAOYSA-N -1 3 351.263 3.277 20 0 FGADHM O=C(Nc1ccc(F)cc1C(F)(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000738165587 598544646 /nfs/dbraw/zinc/54/46/46/598544646.db2.gz JTOZSGXAZOHCMS-UHFFFAOYSA-N -1 3 351.263 3.277 20 0 FGADHM CC(C)COc1ccccc1C(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000735845309 598551684 /nfs/dbraw/zinc/55/16/84/598551684.db2.gz VNYGWMBQTBTDEX-UHFFFAOYSA-N -1 3 365.437 3.174 20 0 FGADHM CC(C)COc1ccccc1C(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000735845309 598551685 /nfs/dbraw/zinc/55/16/85/598551685.db2.gz VNYGWMBQTBTDEX-UHFFFAOYSA-N -1 3 365.437 3.174 20 0 FGADHM COCCCCC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736978825 598553665 /nfs/dbraw/zinc/55/36/65/598553665.db2.gz MDZLKTFHBGNJEV-UHFFFAOYSA-N -1 3 367.409 3.414 20 0 FGADHM COCCCCC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736978825 598553666 /nfs/dbraw/zinc/55/36/66/598553666.db2.gz MDZLKTFHBGNJEV-UHFFFAOYSA-N -1 3 367.409 3.414 20 0 FGADHM C[C@@H](NC(=O)Nc1ccc(-c2nnn[n-]2)cc1)C(C)(C)c1ccccc1 ZINC000736115868 598553800 /nfs/dbraw/zinc/55/38/00/598553800.db2.gz KRHBDIJPMSTILA-CYBMUJFWSA-N -1 3 350.426 3.355 20 0 FGADHM C[C@@H](NC(=O)Nc1ccc(-c2nn[n-]n2)cc1)C(C)(C)c1ccccc1 ZINC000736115868 598553801 /nfs/dbraw/zinc/55/38/01/598553801.db2.gz KRHBDIJPMSTILA-CYBMUJFWSA-N -1 3 350.426 3.355 20 0 FGADHM Cc1nccc(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)n1 ZINC000737497792 598555638 /nfs/dbraw/zinc/55/56/38/598555638.db2.gz GRWXJYAJWULGLQ-UHFFFAOYSA-N -1 3 373.376 3.010 20 0 FGADHM Cc1nccc(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)n1 ZINC000737497792 598555639 /nfs/dbraw/zinc/55/56/39/598555639.db2.gz GRWXJYAJWULGLQ-UHFFFAOYSA-N -1 3 373.376 3.010 20 0 FGADHM CCCN(CC(C)C)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000736468545 598558651 /nfs/dbraw/zinc/55/86/51/598558651.db2.gz DQNGHRLSKVZQPA-UHFFFAOYSA-N -1 3 368.388 3.368 20 0 FGADHM CCCN(CC(C)C)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000736468545 598558652 /nfs/dbraw/zinc/55/86/52/598558652.db2.gz DQNGHRLSKVZQPA-UHFFFAOYSA-N -1 3 368.388 3.368 20 0 FGADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)N1CCCCCCC1 ZINC000738147362 598561462 /nfs/dbraw/zinc/56/14/62/598561462.db2.gz VBJKDIVMJGJHNI-UHFFFAOYSA-N -1 3 366.372 3.266 20 0 FGADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)N1CCCCCCC1 ZINC000738147362 598561464 /nfs/dbraw/zinc/56/14/64/598561464.db2.gz VBJKDIVMJGJHNI-UHFFFAOYSA-N -1 3 366.372 3.266 20 0 FGADHM C[C@H](NC(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736100549 598567778 /nfs/dbraw/zinc/56/77/78/598567778.db2.gz MNSKHSOVCZLAGW-LKTVYLICSA-N -1 3 369.375 3.126 20 0 FGADHM C[C@H](NC(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736100549 598567781 /nfs/dbraw/zinc/56/77/81/598567781.db2.gz MNSKHSOVCZLAGW-LKTVYLICSA-N -1 3 369.375 3.126 20 0 FGADHM CC(C)CCC[C@H](C)NC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000735797068 598570168 /nfs/dbraw/zinc/57/01/68/598570168.db2.gz KYSRCAISSBFPQG-YJBOKZPZSA-N -1 3 370.501 3.167 20 0 FGADHM Cc1cccc(OCCCCC(=O)Nc2ccccc2-c2nnn[n-]2)c1 ZINC000737401628 598571668 /nfs/dbraw/zinc/57/16/68/598571668.db2.gz NUNKXNCIJGJFDL-UHFFFAOYSA-N -1 3 351.410 3.363 20 0 FGADHM Cc1cccc(OCCCCC(=O)Nc2ccccc2-c2nn[n-]n2)c1 ZINC000737401628 598571670 /nfs/dbraw/zinc/57/16/70/598571670.db2.gz NUNKXNCIJGJFDL-UHFFFAOYSA-N -1 3 351.410 3.363 20 0 FGADHM O[C@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)c1ccc2ccccc2c1 ZINC000738380919 598581126 /nfs/dbraw/zinc/58/11/26/598581126.db2.gz DJWRYVCVFJEURO-MRXNPFEDSA-N -1 3 366.812 3.214 20 0 FGADHM O[C@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)c1ccc2ccccc2c1 ZINC000738380919 598581128 /nfs/dbraw/zinc/58/11/28/598581128.db2.gz DJWRYVCVFJEURO-MRXNPFEDSA-N -1 3 366.812 3.214 20 0 FGADHM CCc1c(C)sc(NC(=O)[C@H]2CCOc3ccccc32)c1-c1nnn[n-]1 ZINC000736671169 598581922 /nfs/dbraw/zinc/58/19/22/598581922.db2.gz STXPLLLRZQLVGS-ZDUSSCGKSA-N -1 3 369.450 3.304 20 0 FGADHM CCc1c(C)sc(NC(=O)[C@H]2CCOc3ccccc32)c1-c1nn[n-]n1 ZINC000736671169 598581924 /nfs/dbraw/zinc/58/19/24/598581924.db2.gz STXPLLLRZQLVGS-ZDUSSCGKSA-N -1 3 369.450 3.304 20 0 FGADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1F)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000738232157 598584342 /nfs/dbraw/zinc/58/43/42/598584342.db2.gz PVNIBCVWYVINHQ-QWHCGFSZSA-N -1 3 374.322 3.131 20 0 FGADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1F)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000738232157 598584343 /nfs/dbraw/zinc/58/43/43/598584343.db2.gz PVNIBCVWYVINHQ-QWHCGFSZSA-N -1 3 374.322 3.131 20 0 FGADHM CCc1cccc2c(CC(=O)N(C)Cc3cccc(-c4nnn[n-]4)c3)c[nH]c21 ZINC000736694977 598586285 /nfs/dbraw/zinc/58/62/85/598586285.db2.gz FGARTVAJLBIETK-UHFFFAOYSA-N -1 3 374.448 3.112 20 0 FGADHM CCc1cccc2c(CC(=O)N(C)Cc3cccc(-c4nn[n-]n4)c3)c[nH]c21 ZINC000736694977 598586287 /nfs/dbraw/zinc/58/62/87/598586287.db2.gz FGARTVAJLBIETK-UHFFFAOYSA-N -1 3 374.448 3.112 20 0 FGADHM COc1cccc2cc(C(=O)Nc3ccc(F)c(-c4nnn[n-]4)c3)oc21 ZINC000737143439 598586357 /nfs/dbraw/zinc/58/63/57/598586357.db2.gz RAKZQEPAUIANBK-UHFFFAOYSA-N -1 3 353.313 3.013 20 0 FGADHM COc1cccc2cc(C(=O)Nc3ccc(F)c(-c4nn[n-]n4)c3)oc21 ZINC000737143439 598586359 /nfs/dbraw/zinc/58/63/59/598586359.db2.gz RAKZQEPAUIANBK-UHFFFAOYSA-N -1 3 353.313 3.013 20 0 FGADHM Cc1cc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)nc(-c2ccccn2)n1 ZINC000737274625 598592612 /nfs/dbraw/zinc/59/26/12/598592612.db2.gz PKLLMFJJTYRQBU-CYBMUJFWSA-N -1 3 358.409 3.200 20 0 FGADHM Cc1cc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)nc(-c2ccccn2)n1 ZINC000737274625 598592613 /nfs/dbraw/zinc/59/26/13/598592613.db2.gz PKLLMFJJTYRQBU-CYBMUJFWSA-N -1 3 358.409 3.200 20 0 FGADHM Cn1c2ccccc2c(Cl)c1C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737589795 598598815 /nfs/dbraw/zinc/59/88/15/598598815.db2.gz DWUUEBPBAVZWTR-UHFFFAOYSA-N -1 3 370.775 3.403 20 0 FGADHM Cn1c2ccccc2c(Cl)c1C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737589795 598598816 /nfs/dbraw/zinc/59/88/16/598598816.db2.gz DWUUEBPBAVZWTR-UHFFFAOYSA-N -1 3 370.775 3.403 20 0 FGADHM Cc1ccc2c(CNc3ccc(F)c(-c4nnn[n-]4)c3)cc(=O)oc2c1C ZINC000737372487 598602484 /nfs/dbraw/zinc/60/24/84/598602484.db2.gz YZMWRGDYZYLGOQ-UHFFFAOYSA-N -1 3 365.368 3.341 20 0 FGADHM Cc1ccc2c(CNc3ccc(F)c(-c4nn[n-]n4)c3)cc(=O)oc2c1C ZINC000737372487 598602486 /nfs/dbraw/zinc/60/24/86/598602486.db2.gz YZMWRGDYZYLGOQ-UHFFFAOYSA-N -1 3 365.368 3.341 20 0 FGADHM CC(=O)c1ccc(OCCCOc2ccc(-c3nn[n-]n3)cc2)c(C)c1 ZINC000735499329 598607621 /nfs/dbraw/zinc/60/76/21/598607621.db2.gz ORKPKRVEDQUMBH-UHFFFAOYSA-N -1 3 352.394 3.226 20 0 FGADHM CCC[C@@H]1CCCC[C@@H]1NC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000736435020 598608397 /nfs/dbraw/zinc/60/83/97/598608397.db2.gz ISAYGXGBKVYBFZ-LZWOXQAQSA-N -1 3 357.458 3.109 20 0 FGADHM CCC[C@@H]1CCCC[C@@H]1NC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000736435020 598608399 /nfs/dbraw/zinc/60/83/99/598608399.db2.gz ISAYGXGBKVYBFZ-LZWOXQAQSA-N -1 3 357.458 3.109 20 0 FGADHM Fc1ccc(-c2noc(CSc3ccc(-c4nnn[n-]4)cc3)n2)cc1F ZINC000737647229 598610108 /nfs/dbraw/zinc/61/01/08/598610108.db2.gz CXZYQJCVMJSSGT-UHFFFAOYSA-N -1 3 372.360 3.487 20 0 FGADHM Fc1ccc(-c2noc(CSc3ccc(-c4nn[n-]n4)cc3)n2)cc1F ZINC000737647229 598610110 /nfs/dbraw/zinc/61/01/10/598610110.db2.gz CXZYQJCVMJSSGT-UHFFFAOYSA-N -1 3 372.360 3.487 20 0 FGADHM CCC[C@H]1CCCC[C@H]1NC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736434347 598617353 /nfs/dbraw/zinc/61/73/53/598617353.db2.gz DYUQJTXVTOJCTM-DOTOQJQBSA-N -1 3 356.474 3.367 20 0 FGADHM CCC[C@H]1CCCC[C@H]1NC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736434347 598617355 /nfs/dbraw/zinc/61/73/55/598617355.db2.gz DYUQJTXVTOJCTM-DOTOQJQBSA-N -1 3 356.474 3.367 20 0 FGADHM Fc1cccc(NCCCOc2cccc3cccnc32)c1-c1nnn[n-]1 ZINC000737665628 598629065 /nfs/dbraw/zinc/62/90/65/598629065.db2.gz STSBZLJSQCSFLT-UHFFFAOYSA-N -1 3 364.384 3.435 20 0 FGADHM Fc1cccc(NCCCOc2cccc3cccnc32)c1-c1nn[n-]n1 ZINC000737665628 598629066 /nfs/dbraw/zinc/62/90/66/598629066.db2.gz STSBZLJSQCSFLT-UHFFFAOYSA-N -1 3 364.384 3.435 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N(Cc1cccc(F)c1)C1CC1 ZINC000738163667 598629902 /nfs/dbraw/zinc/62/99/02/598629902.db2.gz SEOIMJNWIGQJOW-UHFFFAOYSA-N -1 3 370.363 3.341 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N(Cc1cccc(F)c1)C1CC1 ZINC000738163667 598629903 /nfs/dbraw/zinc/62/99/03/598629903.db2.gz SEOIMJNWIGQJOW-UHFFFAOYSA-N -1 3 370.363 3.341 20 0 FGADHM COc1ccc([C@@H](C)N(C)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000737070697 598631298 /nfs/dbraw/zinc/63/12/98/598631298.db2.gz AIQJUIFSMDKOKK-LLVKDONJSA-N -1 3 370.388 3.239 20 0 FGADHM COc1ccc([C@@H](C)N(C)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000737070697 598631300 /nfs/dbraw/zinc/63/13/00/598631300.db2.gz AIQJUIFSMDKOKK-LLVKDONJSA-N -1 3 370.388 3.239 20 0 FGADHM Fc1ccc(N2CCC(c3nc4ccccc4[nH]3)CC2)c(-c2nnn[n-]2)c1 ZINC000737660290 598632711 /nfs/dbraw/zinc/63/27/11/598632711.db2.gz QBFWQDZZHRPYLD-UHFFFAOYSA-N -1 3 363.400 3.266 20 0 FGADHM Fc1ccc(N2CCC(c3nc4ccccc4[nH]3)CC2)c(-c2nn[n-]n2)c1 ZINC000737660290 598632713 /nfs/dbraw/zinc/63/27/13/598632713.db2.gz QBFWQDZZHRPYLD-UHFFFAOYSA-N -1 3 363.400 3.266 20 0 FGADHM O=C(c1ccccc1)C1CCN(c2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000738277340 598634461 /nfs/dbraw/zinc/63/44/61/598634461.db2.gz BTNFPFRUCACSDP-UHFFFAOYSA-N -1 3 351.385 3.105 20 0 FGADHM O=C(c1ccccc1)C1CCN(c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000738277340 598634463 /nfs/dbraw/zinc/63/44/63/598634463.db2.gz BTNFPFRUCACSDP-UHFFFAOYSA-N -1 3 351.385 3.105 20 0 FGADHM COC(=O)c1cccc(CSCc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000736950200 598644313 /nfs/dbraw/zinc/64/43/13/598644313.db2.gz YKDXEWLKVXHFGN-UHFFFAOYSA-N -1 3 358.398 3.226 20 0 FGADHM COC(=O)c1cccc(CSCc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000736950200 598644315 /nfs/dbraw/zinc/64/43/15/598644315.db2.gz YKDXEWLKVXHFGN-UHFFFAOYSA-N -1 3 358.398 3.226 20 0 FGADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)OCc1ccccc1F ZINC000737840671 598645474 /nfs/dbraw/zinc/64/54/74/598645474.db2.gz CHQXPQQALJBPGO-UHFFFAOYSA-N -1 3 370.384 3.298 20 0 FGADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)OCc1ccccc1F ZINC000737840671 598645476 /nfs/dbraw/zinc/64/54/76/598645476.db2.gz CHQXPQQALJBPGO-UHFFFAOYSA-N -1 3 370.384 3.298 20 0 FGADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)Oc1ccc(F)cc1 ZINC000737840626 598645842 /nfs/dbraw/zinc/64/58/42/598645842.db2.gz AQOSKSOMVDBDMO-UHFFFAOYSA-N -1 3 356.357 3.161 20 0 FGADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)Oc1ccc(F)cc1 ZINC000737840626 598645843 /nfs/dbraw/zinc/64/58/43/598645843.db2.gz AQOSKSOMVDBDMO-UHFFFAOYSA-N -1 3 356.357 3.161 20 0 FGADHM COc1ccc(OCCSCc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000737111416 598645875 /nfs/dbraw/zinc/64/58/75/598645875.db2.gz MKINRPZVDJPFFR-UHFFFAOYSA-N -1 3 360.414 3.327 20 0 FGADHM COc1ccc(OCCSCc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000737111416 598645876 /nfs/dbraw/zinc/64/58/76/598645876.db2.gz MKINRPZVDJPFFR-UHFFFAOYSA-N -1 3 360.414 3.327 20 0 FGADHM Cc1ccc(NC(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)nc1 ZINC000737360467 598648672 /nfs/dbraw/zinc/64/86/72/598648672.db2.gz ODWMHCIMQQUHLB-UHFFFAOYSA-N -1 3 373.376 3.010 20 0 FGADHM Cc1ccc(NC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)nc1 ZINC000737360467 598648673 /nfs/dbraw/zinc/64/86/73/598648673.db2.gz ODWMHCIMQQUHLB-UHFFFAOYSA-N -1 3 373.376 3.010 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccc(C(C)=O)cc1 ZINC000736480886 598651656 /nfs/dbraw/zinc/65/16/56/598651656.db2.gz ODYZPMWTUBORFI-UHFFFAOYSA-N -1 3 363.421 3.122 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccc(C(C)=O)cc1 ZINC000736480886 598651658 /nfs/dbraw/zinc/65/16/58/598651658.db2.gz ODYZPMWTUBORFI-UHFFFAOYSA-N -1 3 363.421 3.122 20 0 FGADHM Cc1cccc(N(C)C(=O)CSc2ccc(-c3nnn[n-]3)cc2)c1C ZINC000737397559 598655345 /nfs/dbraw/zinc/65/53/45/598655345.db2.gz XRTVPCZGSRKMIZ-UHFFFAOYSA-N -1 3 353.451 3.239 20 0 FGADHM Cc1cccc(N(C)C(=O)CSc2ccc(-c3nn[n-]n3)cc2)c1C ZINC000737397559 598655346 /nfs/dbraw/zinc/65/53/46/598655346.db2.gz XRTVPCZGSRKMIZ-UHFFFAOYSA-N -1 3 353.451 3.239 20 0 FGADHM CC(C)[C@H](Sc1ccccc1)C(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000735734247 598659810 /nfs/dbraw/zinc/65/98/10/598659810.db2.gz FXLZFAPKWHSWQI-HNNXBMFYSA-N -1 3 354.439 3.017 20 0 FGADHM CC(C)[C@H](Sc1ccccc1)C(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000735734247 598659811 /nfs/dbraw/zinc/65/98/11/598659811.db2.gz FXLZFAPKWHSWQI-HNNXBMFYSA-N -1 3 354.439 3.017 20 0 FGADHM CC(C)N(C(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1)C(C)C ZINC000735857284 598664308 /nfs/dbraw/zinc/66/43/08/598664308.db2.gz RWGNFRJAVLBBHD-UHFFFAOYSA-N -1 3 369.425 3.298 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc2nnc(-c3ccccc3)n2n1 ZINC000737221746 598671226 /nfs/dbraw/zinc/67/12/26/598671226.db2.gz PZVPMQKUBDONGR-UHFFFAOYSA-N -1 3 370.376 3.072 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc2nnc(-c3ccccc3)n2n1 ZINC000737221746 598671228 /nfs/dbraw/zinc/67/12/28/598671228.db2.gz PZVPMQKUBDONGR-UHFFFAOYSA-N -1 3 370.376 3.072 20 0 FGADHM Fc1ccc(OCCNc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1F ZINC000737657479 598674287 /nfs/dbraw/zinc/67/42/87/598674287.db2.gz VYIWVYRKYQWNFG-UHFFFAOYSA-N -1 3 351.744 3.289 20 0 FGADHM Fc1ccc(OCCNc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1F ZINC000737657479 598674289 /nfs/dbraw/zinc/67/42/89/598674289.db2.gz VYIWVYRKYQWNFG-UHFFFAOYSA-N -1 3 351.744 3.289 20 0 FGADHM CN(Cc1nc2ccccc2s1)Cc1ccc(F)cc1-c1nnn[n-]1 ZINC000736832024 598678328 /nfs/dbraw/zinc/67/83/28/598678328.db2.gz XJLOZJDHSHEMDI-UHFFFAOYSA-N -1 3 354.414 3.248 20 0 FGADHM CN(Cc1nc2ccccc2s1)Cc1ccc(F)cc1-c1nn[n-]n1 ZINC000736832024 598678330 /nfs/dbraw/zinc/67/83/30/598678330.db2.gz XJLOZJDHSHEMDI-UHFFFAOYSA-N -1 3 354.414 3.248 20 0 FGADHM CC1(C)CCN(C(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736211576 598686733 /nfs/dbraw/zinc/68/67/33/598686733.db2.gz PUUCBKNSKAZFON-UHFFFAOYSA-N -1 3 357.458 3.064 20 0 FGADHM CC1(C)CCN(C(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736211576 598686735 /nfs/dbraw/zinc/68/67/35/598686735.db2.gz PUUCBKNSKAZFON-UHFFFAOYSA-N -1 3 357.458 3.064 20 0 FGADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)N1CCCC2(CCCCC2)C1 ZINC000737853221 598699161 /nfs/dbraw/zinc/69/91/61/598699161.db2.gz QUCXCDYGWPJHRU-UHFFFAOYSA-N -1 3 353.470 3.372 20 0 FGADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)N1CCCC2(CCCCC2)C1 ZINC000737853221 598699162 /nfs/dbraw/zinc/69/91/62/598699162.db2.gz QUCXCDYGWPJHRU-UHFFFAOYSA-N -1 3 353.470 3.372 20 0 FGADHM CC(=CC(=O)OCCOc1ccc(-c2nn[n-]n2)cc1)c1cccc(F)c1 ZINC000735449493 598724184 /nfs/dbraw/zinc/72/41/84/598724184.db2.gz ZUXSGKSRNVEBON-QBFSEMIESA-N -1 3 368.368 3.031 20 0 FGADHM C[C@@H](CSc1ccccc1)C(=O)OCc1cc(-c2nnn[n-]2)ccc1F ZINC000736047843 598724571 /nfs/dbraw/zinc/72/45/71/598724571.db2.gz SISOHWPFAVGIPI-LBPRGKRZSA-N -1 3 372.425 3.477 20 0 FGADHM C[C@@H](CSc1ccccc1)C(=O)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000736047843 598724574 /nfs/dbraw/zinc/72/45/74/598724574.db2.gz SISOHWPFAVGIPI-LBPRGKRZSA-N -1 3 372.425 3.477 20 0 FGADHM CC(C)(C(=O)NCc1cccc(-c2nnn[n-]2)c1)c1ccccc1Cl ZINC000735581434 598734693 /nfs/dbraw/zinc/73/46/93/598734693.db2.gz TXFJLIVWAGSBRP-UHFFFAOYSA-N -1 3 355.829 3.114 20 0 FGADHM CC(C)(C(=O)NCc1cccc(-c2nn[n-]n2)c1)c1ccccc1Cl ZINC000735581434 598734694 /nfs/dbraw/zinc/73/46/94/598734694.db2.gz TXFJLIVWAGSBRP-UHFFFAOYSA-N -1 3 355.829 3.114 20 0 FGADHM CC[C@@H](Sc1ccccc1)C(=O)OCc1cccc(-c2nnn[n-]2)c1 ZINC000736390664 598739951 /nfs/dbraw/zinc/73/99/51/598739951.db2.gz JAMGWFQZFYMPJN-MRXNPFEDSA-N -1 3 354.435 3.481 20 0 FGADHM CC[C@@H](Sc1ccccc1)C(=O)OCc1cccc(-c2nn[n-]n2)c1 ZINC000736390664 598739952 /nfs/dbraw/zinc/73/99/52/598739952.db2.gz JAMGWFQZFYMPJN-MRXNPFEDSA-N -1 3 354.435 3.481 20 0 FGADHM CCCN(C(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1)C1CC1 ZINC000736472843 598748568 /nfs/dbraw/zinc/74/85/68/598748568.db2.gz UOXGKWPKKYQEIP-UHFFFAOYSA-N -1 3 367.409 3.053 20 0 FGADHM CCCN(C(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1)C1CC1 ZINC000736472843 598748571 /nfs/dbraw/zinc/74/85/71/598748571.db2.gz UOXGKWPKKYQEIP-UHFFFAOYSA-N -1 3 367.409 3.053 20 0 FGADHM C[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736188192 598751259 /nfs/dbraw/zinc/75/12/59/598751259.db2.gz IUUJSEZJYMAMRA-SECBINFHSA-N -1 3 361.764 3.065 20 0 FGADHM C[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736188192 598751261 /nfs/dbraw/zinc/75/12/61/598751261.db2.gz IUUJSEZJYMAMRA-SECBINFHSA-N -1 3 361.764 3.065 20 0 FGADHM CC(C)[C@H]1CCC[C@H](NC(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000735747162 598782928 /nfs/dbraw/zinc/78/29/28/598782928.db2.gz PEUOJMPTISECHE-RDJZCZTQSA-N -1 3 356.474 3.223 20 0 FGADHM CC(C)[C@H]1CCC[C@H](NC(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000735747162 598782930 /nfs/dbraw/zinc/78/29/30/598782930.db2.gz PEUOJMPTISECHE-RDJZCZTQSA-N -1 3 356.474 3.223 20 0 FGADHM C[C@@H](OC(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1)C1CC1 ZINC000736162926 598785018 /nfs/dbraw/zinc/78/50/18/598785018.db2.gz KLKNBBACJNMDAW-CYBMUJFWSA-N -1 3 364.405 3.401 20 0 FGADHM C[C@@H](OC(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1)C1CC1 ZINC000736162926 598785020 /nfs/dbraw/zinc/78/50/20/598785020.db2.gz KLKNBBACJNMDAW-CYBMUJFWSA-N -1 3 364.405 3.401 20 0 FGADHM CSc1ccc(N(C)C(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000737188919 598791267 /nfs/dbraw/zinc/79/12/67/598791267.db2.gz AAQJBLCLRBNLJM-GFCCVEGCSA-N -1 3 369.450 3.019 20 0 FGADHM CSc1ccc(N(C)C(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000737188919 598791270 /nfs/dbraw/zinc/79/12/70/598791270.db2.gz AAQJBLCLRBNLJM-GFCCVEGCSA-N -1 3 369.450 3.019 20 0 FGADHM COCCOc1ccccc1CNc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000737012895 598794230 /nfs/dbraw/zinc/79/42/30/598794230.db2.gz AFGXWPJZQKHQFS-UHFFFAOYSA-N -1 3 359.817 3.157 20 0 FGADHM COCCOc1ccccc1CNc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000737012895 598794232 /nfs/dbraw/zinc/79/42/32/598794232.db2.gz AFGXWPJZQKHQFS-UHFFFAOYSA-N -1 3 359.817 3.157 20 0 FGADHM O=C(c1sccc1-c1nnn[n-]1)N1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000738288136 598794384 /nfs/dbraw/zinc/79/43/84/598794384.db2.gz AUHFGQWDRCAJTG-CYBMUJFWSA-N -1 3 361.377 3.184 20 0 FGADHM O=C(c1sccc1-c1nn[n-]n1)N1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000738288136 598794386 /nfs/dbraw/zinc/79/43/86/598794386.db2.gz AUHFGQWDRCAJTG-CYBMUJFWSA-N -1 3 361.377 3.184 20 0 FGADHM COc1ccc(OC)c(CCNc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000737110047 598794637 /nfs/dbraw/zinc/79/46/37/598794637.db2.gz ROLOXXNWHAEYLA-UHFFFAOYSA-N -1 3 359.817 3.192 20 0 FGADHM COc1ccc(OC)c(CCNc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000737110047 598794638 /nfs/dbraw/zinc/79/46/38/598794638.db2.gz ROLOXXNWHAEYLA-UHFFFAOYSA-N -1 3 359.817 3.192 20 0 FGADHM CC(=O)Nc1ccc(CCNc2ccc(Cl)cc2-c2nnn[n-]2)cc1 ZINC000735483918 598795428 /nfs/dbraw/zinc/79/54/28/598795428.db2.gz CVJIAPQPTKUADC-UHFFFAOYSA-N -1 3 356.817 3.133 20 0 FGADHM CC(=O)Nc1ccc(CCNc2ccc(Cl)cc2-c2nn[n-]n2)cc1 ZINC000735483918 598795429 /nfs/dbraw/zinc/79/54/29/598795429.db2.gz CVJIAPQPTKUADC-UHFFFAOYSA-N -1 3 356.817 3.133 20 0 FGADHM Fc1ccccc1[C@H]1CN(c2ccc(Cl)cc2-c2nnn[n-]2)CCO1 ZINC000737668092 598796646 /nfs/dbraw/zinc/79/66/46/598796646.db2.gz CWSRSOLQMGRURG-MRXNPFEDSA-N -1 3 359.792 3.237 20 0 FGADHM Fc1ccccc1[C@H]1CN(c2ccc(Cl)cc2-c2nn[n-]n2)CCO1 ZINC000737668092 598796648 /nfs/dbraw/zinc/79/66/48/598796648.db2.gz CWSRSOLQMGRURG-MRXNPFEDSA-N -1 3 359.792 3.237 20 0 FGADHM FC(F)Oc1cccc(Cl)c1CNCc1cccc(-c2nn[n-]n2)c1 ZINC000737638076 598798935 /nfs/dbraw/zinc/79/89/35/598798935.db2.gz CKMASRLHKQYLBT-UHFFFAOYSA-N -1 3 365.771 3.411 20 0 FGADHM CCC[C@@H](NC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccccn1 ZINC000736431967 598800467 /nfs/dbraw/zinc/80/04/67/598800467.db2.gz YSRZGRNEQXJYNK-CXAGYDPISA-N -1 3 365.441 3.163 20 0 FGADHM CCC[C@@H](NC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccccn1 ZINC000736431967 598800468 /nfs/dbraw/zinc/80/04/68/598800468.db2.gz YSRZGRNEQXJYNK-CXAGYDPISA-N -1 3 365.441 3.163 20 0 FGADHM c1cn(Cc2ncc(-c3ccccc3)o2)nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC000738421686 598802930 /nfs/dbraw/zinc/80/29/30/598802930.db2.gz SZNFVEXNYGOIHB-UHFFFAOYSA-N -1 3 369.388 3.434 20 0 FGADHM c1cn(Cc2ncc(-c3ccccc3)o2)nc1-c1ccc(-c2nn[n-]n2)cc1 ZINC000738421686 598802931 /nfs/dbraw/zinc/80/29/31/598802931.db2.gz SZNFVEXNYGOIHB-UHFFFAOYSA-N -1 3 369.388 3.434 20 0 FGADHM CCC[C@@H](C)C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(F)(F)F ZINC000736421093 598804051 /nfs/dbraw/zinc/80/40/51/598804051.db2.gz YDTZQYKTBNHBGZ-LLVKDONJSA-N -1 3 355.364 3.194 20 0 FGADHM CCC[C@@H](C)C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(F)(F)F ZINC000736421093 598804052 /nfs/dbraw/zinc/80/40/52/598804052.db2.gz YDTZQYKTBNHBGZ-LLVKDONJSA-N -1 3 355.364 3.194 20 0 FGADHM CCN(C(=O)CCc1csc(C)n1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736505397 598804264 /nfs/dbraw/zinc/80/42/64/598804264.db2.gz MVPXHCUZFRVORY-GFCCVEGCSA-N -1 3 370.482 3.174 20 0 FGADHM CCN(C(=O)CCc1csc(C)n1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736505397 598804265 /nfs/dbraw/zinc/80/42/65/598804265.db2.gz MVPXHCUZFRVORY-GFCCVEGCSA-N -1 3 370.482 3.174 20 0 FGADHM CCOc1cc(C(=O)Nc2sc(CC)cc2-c2nnn[n-]2)ccc1C ZINC000736628203 598822748 /nfs/dbraw/zinc/82/27/48/598822748.db2.gz UDUXJYJRNVNMAB-UHFFFAOYSA-N -1 3 357.439 3.450 20 0 FGADHM CCOc1cc(C(=O)Nc2sc(CC)cc2-c2nn[n-]n2)ccc1C ZINC000736628203 598822749 /nfs/dbraw/zinc/82/27/49/598822749.db2.gz UDUXJYJRNVNMAB-UHFFFAOYSA-N -1 3 357.439 3.450 20 0 FGADHM CCc1nc(NC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)sc1C ZINC000821510336 599297375 /nfs/dbraw/zinc/29/73/75/599297375.db2.gz ZKYHVBKTPCMUPA-SECBINFHSA-N -1 3 357.443 3.077 20 0 FGADHM CCc1nc(NC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)sc1C ZINC000821510336 599297377 /nfs/dbraw/zinc/29/73/77/599297377.db2.gz ZKYHVBKTPCMUPA-SECBINFHSA-N -1 3 357.443 3.077 20 0 FGADHM CCc1csc(NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)n1 ZINC000821499906 599297562 /nfs/dbraw/zinc/29/75/62/599297562.db2.gz VCFCEISRTDMMJJ-UHFFFAOYSA-N -1 3 371.470 3.328 20 0 FGADHM CCc1csc(NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)n1 ZINC000821499906 599297564 /nfs/dbraw/zinc/29/75/64/599297564.db2.gz VCFCEISRTDMMJJ-UHFFFAOYSA-N -1 3 371.470 3.328 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1CSCc1c(C)nn(C)c1Cl ZINC000821749306 607367700 /nfs/dbraw/zinc/36/77/00/607367700.db2.gz GHJKKECGUFODAN-UHFFFAOYSA-N -1 3 364.862 3.004 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1CSCc1c(C)nn(C)c1Cl ZINC000821749306 607367703 /nfs/dbraw/zinc/36/77/03/607367703.db2.gz GHJKKECGUFODAN-UHFFFAOYSA-N -1 3 364.862 3.004 20 0 FGADHM CC(C)CO[C@H](C)c1noc(CSCc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000820096342 599308553 /nfs/dbraw/zinc/30/85/53/599308553.db2.gz AMBFARPNVQIFFO-GFCCVEGCSA-N -1 3 374.470 3.417 20 0 FGADHM CC(C)CO[C@H](C)c1noc(CSCc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000820096342 599308556 /nfs/dbraw/zinc/30/85/56/599308556.db2.gz AMBFARPNVQIFFO-GFCCVEGCSA-N -1 3 374.470 3.417 20 0 FGADHM C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736237137 599343067 /nfs/dbraw/zinc/34/30/67/599343067.db2.gz NMHUGGOCYVYBPX-XPKDYRNWSA-N -1 3 357.483 3.138 20 0 FGADHM C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736237137 599343070 /nfs/dbraw/zinc/34/30/70/599343070.db2.gz NMHUGGOCYVYBPX-XPKDYRNWSA-N -1 3 357.483 3.138 20 0 FGADHM C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736237135 599343323 /nfs/dbraw/zinc/34/33/23/599343323.db2.gz NMHUGGOCYVYBPX-IVMMDQJWSA-N -1 3 357.483 3.138 20 0 FGADHM C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736237135 599343327 /nfs/dbraw/zinc/34/33/27/599343327.db2.gz NMHUGGOCYVYBPX-IVMMDQJWSA-N -1 3 357.483 3.138 20 0 FGADHM O=c1[nH]c(CSc2ccccc2-c2nnn[n-]2)nc2ccc(Cl)cc12 ZINC000823657424 599343362 /nfs/dbraw/zinc/34/33/62/599343362.db2.gz OSHXIXYPMWLTQO-UHFFFAOYSA-N -1 3 370.825 3.461 20 0 FGADHM O=c1[nH]c(CSc2ccccc2-c2nn[n-]n2)nc2ccc(Cl)cc12 ZINC000823657424 599343365 /nfs/dbraw/zinc/34/33/65/599343365.db2.gz OSHXIXYPMWLTQO-UHFFFAOYSA-N -1 3 370.825 3.461 20 0 FGADHM C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736237134 599343564 /nfs/dbraw/zinc/34/35/64/599343564.db2.gz NMHUGGOCYVYBPX-INWMFGNUSA-N -1 3 357.483 3.138 20 0 FGADHM C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736237134 599343566 /nfs/dbraw/zinc/34/35/66/599343566.db2.gz NMHUGGOCYVYBPX-INWMFGNUSA-N -1 3 357.483 3.138 20 0 FGADHM O=C(OCc1ccccc1-c1nnn[n-]1)c1cc(Cl)cc2cccnc21 ZINC000738232940 599366753 /nfs/dbraw/zinc/36/67/53/599366753.db2.gz BKQRMZMATYADPC-UHFFFAOYSA-N -1 3 365.780 3.425 20 0 FGADHM O=C(OCc1ccccc1-c1nn[n-]n1)c1cc(Cl)cc2cccnc21 ZINC000738232940 599366755 /nfs/dbraw/zinc/36/67/55/599366755.db2.gz BKQRMZMATYADPC-UHFFFAOYSA-N -1 3 365.780 3.425 20 0 FGADHM CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736962849 599378885 /nfs/dbraw/zinc/37/88/85/599378885.db2.gz QRUIWLKCORGKEV-BDJLRTHQSA-N -1 3 371.828 3.026 20 0 FGADHM CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736962849 599378888 /nfs/dbraw/zinc/37/88/88/599378888.db2.gz QRUIWLKCORGKEV-BDJLRTHQSA-N -1 3 371.828 3.026 20 0 FGADHM C[C@H](N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1nc(-c2cccs2)no1 ZINC000820414301 599388621 /nfs/dbraw/zinc/38/86/21/599388621.db2.gz XPMULXZBHRSJMQ-QWRGUYRKSA-N -1 3 367.438 3.390 20 0 FGADHM C[C@H](N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1nc(-c2cccs2)no1 ZINC000820414301 599388625 /nfs/dbraw/zinc/38/86/25/599388625.db2.gz XPMULXZBHRSJMQ-QWRGUYRKSA-N -1 3 367.438 3.390 20 0 FGADHM Cc1cc(-c2nn[n-]n2)cc(C)c1OCc1ccn(-c2ccc(F)cc2)n1 ZINC000822137543 599389399 /nfs/dbraw/zinc/38/93/99/599389399.db2.gz VGNZYZRPHPCGSD-UHFFFAOYSA-N -1 3 364.384 3.387 20 0 FGADHM Cc1ccc(Cl)cc1OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000822239990 599389549 /nfs/dbraw/zinc/38/95/49/599389549.db2.gz NNIYKSVVXBBQRI-UHFFFAOYSA-N -1 3 368.784 3.458 20 0 FGADHM Cc1ccc(Cl)cc1OCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000822239990 599389552 /nfs/dbraw/zinc/38/95/52/599389552.db2.gz NNIYKSVVXBBQRI-UHFFFAOYSA-N -1 3 368.784 3.458 20 0 FGADHM C[C@H](N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1nnc(-c2ccccc2)o1 ZINC000820411260 599389532 /nfs/dbraw/zinc/38/95/32/599389532.db2.gz HPKTZFRFZZWNJY-STQMWFEESA-N -1 3 361.409 3.329 20 0 FGADHM C[C@@H](NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F)c1ccccc1Cl ZINC000820367444 599399606 /nfs/dbraw/zinc/39/96/06/599399606.db2.gz SQQBUOVJJOETMP-SNVBAGLBSA-N -1 3 374.807 3.220 20 0 FGADHM C[C@@H](NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F)c1ccccc1Cl ZINC000820367444 599399609 /nfs/dbraw/zinc/39/96/09/599399609.db2.gz SQQBUOVJJOETMP-SNVBAGLBSA-N -1 3 374.807 3.220 20 0 FGADHM CCC[C@@H](NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F)c1ccccc1 ZINC000821020546 599404828 /nfs/dbraw/zinc/40/48/28/599404828.db2.gz DNUBAGDMGHWYOB-QGZVFWFLSA-N -1 3 368.416 3.346 20 0 FGADHM CCC[C@@H](NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F)c1ccccc1 ZINC000821020546 599404830 /nfs/dbraw/zinc/40/48/30/599404830.db2.gz DNUBAGDMGHWYOB-QGZVFWFLSA-N -1 3 368.416 3.346 20 0 FGADHM CC[C@@H](Cc1ccccc1)N(C)C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000820914637 599414830 /nfs/dbraw/zinc/41/48/30/599414830.db2.gz QJZIEJJAPYGDAK-SFHVURJKSA-N -1 3 364.453 3.029 20 0 FGADHM CC[C@@H](Cc1ccccc1)N(C)C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000820914637 599414832 /nfs/dbraw/zinc/41/48/32/599414832.db2.gz QJZIEJJAPYGDAK-SFHVURJKSA-N -1 3 364.453 3.029 20 0 FGADHM C[C@H](NC(=O)N1C[C@@H](C)[C@@H]1c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820341321 599419156 /nfs/dbraw/zinc/41/91/56/599419156.db2.gz PZJGLJFSEBVVOR-QWQRMKEZSA-N -1 3 362.437 3.330 20 0 FGADHM C[C@H](NC(=O)N1C[C@@H](C)[C@@H]1c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820341321 599419157 /nfs/dbraw/zinc/41/91/57/599419157.db2.gz PZJGLJFSEBVVOR-QWQRMKEZSA-N -1 3 362.437 3.330 20 0 FGADHM CCc1nccn1[C@@H]1CCCN(c2cc(-c3nnn[n-]3)c3ccccc3n2)C1 ZINC000736704732 599431613 /nfs/dbraw/zinc/43/16/13/599431613.db2.gz BTDGITYHXLHDNY-CQSZACIVSA-N -1 3 374.452 3.015 20 0 FGADHM CCc1nccn1[C@@H]1CCCN(c2cc(-c3nn[n-]n3)c3ccccc3n2)C1 ZINC000736704732 599431615 /nfs/dbraw/zinc/43/16/15/599431615.db2.gz BTDGITYHXLHDNY-CQSZACIVSA-N -1 3 374.452 3.015 20 0 FGADHM CCc1nccn1[C@H]1CCCN(c2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC000736705260 599431972 /nfs/dbraw/zinc/43/19/72/599431972.db2.gz DKDWJEXZXBSSHZ-ZDUSSCGKSA-N -1 3 357.849 3.121 20 0 FGADHM CC[C@H](Cc1ccccc1)NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820913028 599433365 /nfs/dbraw/zinc/43/33/65/599433365.db2.gz BYTNDXAJMLTCBD-KBXCAEBGSA-N -1 3 364.453 3.248 20 0 FGADHM CC[C@H](Cc1ccccc1)NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820913028 599433367 /nfs/dbraw/zinc/43/33/67/599433367.db2.gz BYTNDXAJMLTCBD-KBXCAEBGSA-N -1 3 364.453 3.248 20 0 FGADHM CCc1nc([C@H](C)NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000821505927 599440541 /nfs/dbraw/zinc/44/05/41/599440541.db2.gz USBKLRLLGWHMAE-QWRGUYRKSA-N -1 3 371.470 3.007 20 0 FGADHM CCc1nc([C@H](C)NC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000821505927 599440543 /nfs/dbraw/zinc/44/05/43/599440543.db2.gz USBKLRLLGWHMAE-QWRGUYRKSA-N -1 3 371.470 3.007 20 0 FGADHM CCN(C(=O)CC[C@@H]1CC[C@@H](C)O1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821147502 599455586 /nfs/dbraw/zinc/45/55/86/599455586.db2.gz HFRVBIZTWUHSMH-KEYYUXOJSA-N -1 3 357.458 3.124 20 0 FGADHM CCN(C(=O)CC[C@@H]1CC[C@@H](C)O1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821147502 599455588 /nfs/dbraw/zinc/45/55/88/599455588.db2.gz HFRVBIZTWUHSMH-KEYYUXOJSA-N -1 3 357.458 3.124 20 0 FGADHM CCN(Cc1ccccc1C)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000821230177 599465908 /nfs/dbraw/zinc/46/59/08/599465908.db2.gz DVVIMZSMTONUHS-UHFFFAOYSA-N -1 3 368.416 3.046 20 0 FGADHM CCN(Cc1ccccc1C)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000821230177 599465911 /nfs/dbraw/zinc/46/59/11/599465911.db2.gz DVVIMZSMTONUHS-UHFFFAOYSA-N -1 3 368.416 3.046 20 0 FGADHM c1cc2c(ccnc2NCCSCc2ccccc2-c2nnn[n-]2)o1 ZINC000823772414 599466534 /nfs/dbraw/zinc/46/65/34/599466534.db2.gz KSIHVPSIRYFBCG-UHFFFAOYSA-N -1 3 352.423 3.353 20 0 FGADHM c1cc2c(ccnc2NCCSCc2ccccc2-c2nn[n-]n2)o1 ZINC000823772414 599466535 /nfs/dbraw/zinc/46/65/35/599466535.db2.gz KSIHVPSIRYFBCG-UHFFFAOYSA-N -1 3 352.423 3.353 20 0 FGADHM C[C@H](NC(=O)N[C@@H]1CCCc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820359316 599474340 /nfs/dbraw/zinc/47/43/40/599474340.db2.gz SCOZKOZVZAKILC-SCLBCKFNSA-N -1 3 362.437 3.305 20 0 FGADHM C[C@H](NC(=O)N[C@@H]1CCCc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820359316 599474343 /nfs/dbraw/zinc/47/43/43/599474343.db2.gz SCOZKOZVZAKILC-SCLBCKFNSA-N -1 3 362.437 3.305 20 0 FGADHM CCO[C@@H](C)c1noc(CN(CC(C)C)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000736615243 599475311 /nfs/dbraw/zinc/47/53/11/599475311.db2.gz JWCMESXZBIJOIS-ZDUSSCGKSA-N -1 3 371.445 3.010 20 0 FGADHM Fc1ccc(NCc2ccc(N3CCCCCC3)nc2)c(-c2nnn[n-]2)c1 ZINC000822783025 599481670 /nfs/dbraw/zinc/48/16/70/599481670.db2.gz QTNKPSOAUOUTIF-UHFFFAOYSA-N -1 3 367.432 3.393 20 0 FGADHM Fc1ccc(NCc2ccc(N3CCCCCC3)nc2)c(-c2nn[n-]n2)c1 ZINC000822783025 599481674 /nfs/dbraw/zinc/48/16/74/599481674.db2.gz QTNKPSOAUOUTIF-UHFFFAOYSA-N -1 3 367.432 3.393 20 0 FGADHM Fc1ccc(NCc2ccnc(N3CCCCC3)c2)c(-c2nnn[n-]2)c1 ZINC000822783037 599483501 /nfs/dbraw/zinc/48/35/01/599483501.db2.gz RMVLOMXWJSHAAS-UHFFFAOYSA-N -1 3 353.405 3.003 20 0 FGADHM Fc1ccc(NCc2ccnc(N3CCCCC3)c2)c(-c2nn[n-]n2)c1 ZINC000822783037 599483503 /nfs/dbraw/zinc/48/35/03/599483503.db2.gz RMVLOMXWJSHAAS-UHFFFAOYSA-N -1 3 353.405 3.003 20 0 FGADHM C[C@H](NC(=O)N[C@@H]1CC[C@H]2CCC[C@H]2C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820357509 599485572 /nfs/dbraw/zinc/48/55/72/599485572.db2.gz HKFQRXMKTWJFDC-UICACZKSSA-N -1 3 354.458 3.196 20 0 FGADHM C[C@H](NC(=O)N[C@@H]1CC[C@H]2CCC[C@H]2C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820357509 599485575 /nfs/dbraw/zinc/48/55/75/599485575.db2.gz HKFQRXMKTWJFDC-UICACZKSSA-N -1 3 354.458 3.196 20 0 FGADHM Cc1occc1CN(C)c1c(-c2nnn[n-]2)cnc2c(F)ccc(F)c21 ZINC000822553060 599490863 /nfs/dbraw/zinc/49/08/63/599490863.db2.gz IDCMVJQFJHKUJI-UHFFFAOYSA-N -1 3 356.336 3.231 20 0 FGADHM Cc1occc1CN(C)c1c(-c2nn[n-]n2)cnc2c(F)ccc(F)c21 ZINC000822553060 599490865 /nfs/dbraw/zinc/49/08/65/599490865.db2.gz IDCMVJQFJHKUJI-UHFFFAOYSA-N -1 3 356.336 3.231 20 0 FGADHM O[C@H](CNc1ccc(F)cc1-c1nnn[n-]1)c1ccccc1C(F)(F)F ZINC000823689553 599499499 /nfs/dbraw/zinc/49/94/99/599499499.db2.gz HQKMIFOVZYTSGG-CQSZACIVSA-N -1 3 367.306 3.170 20 0 FGADHM O[C@H](CNc1ccc(F)cc1-c1nn[n-]n1)c1ccccc1C(F)(F)F ZINC000823689553 599499500 /nfs/dbraw/zinc/49/95/00/599499500.db2.gz HQKMIFOVZYTSGG-CQSZACIVSA-N -1 3 367.306 3.170 20 0 FGADHM C[C@@H](Oc1ccccc1Cl)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820549452 599500172 /nfs/dbraw/zinc/50/01/72/599500172.db2.gz MUPYQAOZSALEKN-VXGBXAGGSA-N -1 3 371.828 3.165 20 0 FGADHM C[C@@H](Oc1ccccc1Cl)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820549452 599500174 /nfs/dbraw/zinc/50/01/74/599500174.db2.gz MUPYQAOZSALEKN-VXGBXAGGSA-N -1 3 371.828 3.165 20 0 FGADHM CC(C)Oc1cccc(CC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000820178110 599500853 /nfs/dbraw/zinc/50/08/53/599500853.db2.gz HUEOQDZFQNTXQS-CQSZACIVSA-N -1 3 365.437 3.074 20 0 FGADHM CC(C)Oc1cccc(CC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000820178110 599500855 /nfs/dbraw/zinc/50/08/55/599500855.db2.gz HUEOQDZFQNTXQS-CQSZACIVSA-N -1 3 365.437 3.074 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)NC(C)(C)c1cccc(F)c1 ZINC000737064777 599501593 /nfs/dbraw/zinc/50/15/93/599501593.db2.gz ZADXQPZYVRNVTH-UHFFFAOYSA-N -1 3 370.388 3.071 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)NC(C)(C)c1cccc(F)c1 ZINC000737064777 599501594 /nfs/dbraw/zinc/50/15/94/599501594.db2.gz ZADXQPZYVRNVTH-UHFFFAOYSA-N -1 3 370.388 3.071 20 0 FGADHM COc1ccc2c(c1)CCC[C@@H]2Nc1c(-c2nnn[n-]2)cnc2ccccc21 ZINC000821849441 599503417 /nfs/dbraw/zinc/50/34/17/599503417.db2.gz IVRZIZXFRMQBSE-IBGZPJMESA-N -1 3 372.432 3.335 20 0 FGADHM COc1ccc2c(c1)CCC[C@@H]2Nc1c(-c2nn[n-]n2)cnc2ccccc21 ZINC000821849441 599503419 /nfs/dbraw/zinc/50/34/19/599503419.db2.gz IVRZIZXFRMQBSE-IBGZPJMESA-N -1 3 372.432 3.335 20 0 FGADHM Oc1cccc(CCNc2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)c1 ZINC000823733460 599504537 /nfs/dbraw/zinc/50/45/37/599504537.db2.gz XIPDLCZRKMZCOJ-UHFFFAOYSA-N -1 3 368.347 3.053 20 0 FGADHM Oc1cccc(CCNc2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)c1 ZINC000823733460 599504541 /nfs/dbraw/zinc/50/45/41/599504541.db2.gz XIPDLCZRKMZCOJ-UHFFFAOYSA-N -1 3 368.347 3.053 20 0 FGADHM C[C@@H](NC(=O)CCSc1ccc(F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820327734 599505861 /nfs/dbraw/zinc/50/58/61/599505861.db2.gz JFAROTPHNBQKQJ-GFCCVEGCSA-N -1 3 371.441 3.365 20 0 FGADHM C[C@@H](NC(=O)CCSc1ccc(F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820327734 599505862 /nfs/dbraw/zinc/50/58/62/599505862.db2.gz JFAROTPHNBQKQJ-GFCCVEGCSA-N -1 3 371.441 3.365 20 0 FGADHM C[C@H](NC(=O)C=Cc1ccccc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000820321600 599505917 /nfs/dbraw/zinc/50/59/17/599505917.db2.gz JGNFXHYIPPZKED-VMPCVLLUSA-N -1 3 353.813 3.411 20 0 FGADHM C[C@H](NC(=O)C=Cc1ccccc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000820321600 599505918 /nfs/dbraw/zinc/50/59/18/599505918.db2.gz JGNFXHYIPPZKED-VMPCVLLUSA-N -1 3 353.813 3.411 20 0 FGADHM CC(C)c1nc([C@@H]2CCCN(c3cc(Cl)ccc3-c3nnn[n-]3)C2)no1 ZINC000820203693 599507984 /nfs/dbraw/zinc/50/79/84/599507984.db2.gz XUUZDJLZLROKQP-LLVKDONJSA-N -1 3 373.848 3.411 20 0 FGADHM CC(C)c1nc([C@@H]2CCCN(c3cc(Cl)ccc3-c3nn[n-]n3)C2)no1 ZINC000820203693 599507987 /nfs/dbraw/zinc/50/79/87/599507987.db2.gz XUUZDJLZLROKQP-LLVKDONJSA-N -1 3 373.848 3.411 20 0 FGADHM C[C@@H](NC(=O)C1(c2cccc(Cl)c2)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820323794 599514070 /nfs/dbraw/zinc/51/40/70/599514070.db2.gz ZDZGIMJHWHKQAI-GFCCVEGCSA-N -1 3 367.840 3.429 20 0 FGADHM C[C@@H](NC(=O)C1(c2cccc(Cl)c2)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820323794 599514073 /nfs/dbraw/zinc/51/40/73/599514073.db2.gz ZDZGIMJHWHKQAI-GFCCVEGCSA-N -1 3 367.840 3.429 20 0 FGADHM C[C@H](NC(=O)c1ncoc1-c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820403691 599514873 /nfs/dbraw/zinc/51/48/73/599514873.db2.gz LBCKFSYQLWGTFY-LBPRGKRZSA-N -1 3 360.377 3.013 20 0 FGADHM C[C@H](NC(=O)c1ncoc1-c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820403691 599514876 /nfs/dbraw/zinc/51/48/76/599514876.db2.gz LBCKFSYQLWGTFY-LBPRGKRZSA-N -1 3 360.377 3.013 20 0 FGADHM C[C@H](NC(=O)c1coc(-c2ccccc2)n1)c1cccc(-c2nnn[n-]2)c1 ZINC000820404458 599522088 /nfs/dbraw/zinc/52/20/88/599522088.db2.gz VQKXICUOBKWDCC-LBPRGKRZSA-N -1 3 360.377 3.013 20 0 FGADHM C[C@H](NC(=O)c1coc(-c2ccccc2)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000820404458 599522091 /nfs/dbraw/zinc/52/20/91/599522091.db2.gz VQKXICUOBKWDCC-LBPRGKRZSA-N -1 3 360.377 3.013 20 0 FGADHM C[C@@H](NC(=O)CCn1ccc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820327941 599523893 /nfs/dbraw/zinc/52/38/93/599523893.db2.gz LDULSBQZAHORCZ-CQSZACIVSA-N -1 3 360.421 3.089 20 0 FGADHM C[C@@H](NC(=O)CCn1ccc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820327941 599523894 /nfs/dbraw/zinc/52/38/94/599523894.db2.gz LDULSBQZAHORCZ-CQSZACIVSA-N -1 3 360.421 3.089 20 0 FGADHM C[C@@H](NC(=O)c1cccc(C(F)(F)F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820397863 599524617 /nfs/dbraw/zinc/52/46/17/599524617.db2.gz VPOKSQMEQHDKFN-SNVBAGLBSA-N -1 3 361.327 3.377 20 0 FGADHM C[C@@H](NC(=O)c1cccc(C(F)(F)F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820397863 599524620 /nfs/dbraw/zinc/52/46/20/599524620.db2.gz VPOKSQMEQHDKFN-SNVBAGLBSA-N -1 3 361.327 3.377 20 0 FGADHM C[C@H](NC(=O)C=Cc1ccnc2ccccc12)c1cccc(-c2nnn[n-]2)c1 ZINC000820321204 599527487 /nfs/dbraw/zinc/52/74/87/599527487.db2.gz COCDMMUCNZSSCX-HBWSCVEGSA-N -1 3 370.416 3.306 20 0 FGADHM C[C@H](NC(=O)C=Cc1ccnc2ccccc12)c1cccc(-c2nn[n-]n2)c1 ZINC000820321204 599527488 /nfs/dbraw/zinc/52/74/88/599527488.db2.gz COCDMMUCNZSSCX-HBWSCVEGSA-N -1 3 370.416 3.306 20 0 FGADHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1NCCCc1nccs1 ZINC000737625546 599527542 /nfs/dbraw/zinc/52/75/42/599527542.db2.gz BSZGLLWVVNPWQU-UHFFFAOYSA-N -1 3 354.361 3.387 20 0 FGADHM C[C@@H](NC(=O)c1sccc1OC(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000820403057 599531455 /nfs/dbraw/zinc/53/14/55/599531455.db2.gz HCGPDQYULZPJJS-MRVPVSSYSA-N -1 3 365.365 3.021 20 0 FGADHM C[C@@H](NC(=O)c1sccc1OC(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000820403057 599531458 /nfs/dbraw/zinc/53/14/58/599531458.db2.gz HCGPDQYULZPJJS-MRVPVSSYSA-N -1 3 365.365 3.021 20 0 FGADHM Cc1cc(C)n([C@H]2CCCN(c3ccc(Cl)cc3-c3nnn[n-]3)C2)n1 ZINC000822197448 599538615 /nfs/dbraw/zinc/53/86/15/599538615.db2.gz BLWGHJCFGPBWPZ-AWEZNQCLSA-N -1 3 357.849 3.175 20 0 FGADHM Cc1cc(C)n([C@H]2CCCN(c3ccc(Cl)cc3-c3nn[n-]n3)C2)n1 ZINC000822197448 599538617 /nfs/dbraw/zinc/53/86/17/599538617.db2.gz BLWGHJCFGPBWPZ-AWEZNQCLSA-N -1 3 357.849 3.175 20 0 FGADHM C[C@H](NC(=O)C[C@@H]1CCc2ccccc2C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820321200 599538845 /nfs/dbraw/zinc/53/88/45/599538845.db2.gz COCBTTXXPZYOGT-LSDHHAIUSA-N -1 3 361.449 3.239 20 0 FGADHM C[C@H](NC(=O)C[C@@H]1CCc2ccccc2C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820321200 599538847 /nfs/dbraw/zinc/53/88/47/599538847.db2.gz COCBTTXXPZYOGT-LSDHHAIUSA-N -1 3 361.449 3.239 20 0 FGADHM C[C@H](NC(=O)Cc1c(F)cccc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000820333660 599539244 /nfs/dbraw/zinc/53/92/44/599539244.db2.gz FRULROYDTKVXJE-JTQLQIEISA-N -1 3 359.792 3.079 20 0 FGADHM C[C@H](NC(=O)Cc1c(F)cccc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000820333660 599539247 /nfs/dbraw/zinc/53/92/47/599539247.db2.gz FRULROYDTKVXJE-JTQLQIEISA-N -1 3 359.792 3.079 20 0 FGADHM Cc1cc(OCC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)ccc1Cl ZINC000822210721 599540911 /nfs/dbraw/zinc/54/09/11/599540911.db2.gz OPJOPNRBNDFZSH-LBPRGKRZSA-N -1 3 371.828 3.085 20 0 FGADHM Cc1cc(OCC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)ccc1Cl ZINC000822210721 599540914 /nfs/dbraw/zinc/54/09/14/599540914.db2.gz OPJOPNRBNDFZSH-LBPRGKRZSA-N -1 3 371.828 3.085 20 0 FGADHM C[C@@H](NC(=O)Cc1ccc(-n2cccc2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820335548 599541777 /nfs/dbraw/zinc/54/17/77/599541777.db2.gz ZPOSNWHWASOZET-OAHLLOKOSA-N -1 3 372.432 3.077 20 0 FGADHM C[C@@H](NC(=O)Cc1ccc(-n2cccc2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820335548 599541779 /nfs/dbraw/zinc/54/17/79/599541779.db2.gz ZPOSNWHWASOZET-OAHLLOKOSA-N -1 3 372.432 3.077 20 0 FGADHM C[C@H](NC(=O)c1coc(-c2ccccc2)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736125395 599542367 /nfs/dbraw/zinc/54/23/67/599542367.db2.gz JVYIRAFGLQCKHG-LBPRGKRZSA-N -1 3 360.377 3.013 20 0 FGADHM C[C@H](NC(=O)c1coc(-c2ccccc2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736125395 599542369 /nfs/dbraw/zinc/54/23/69/599542369.db2.gz JVYIRAFGLQCKHG-LBPRGKRZSA-N -1 3 360.377 3.013 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N1CC[C@@H]1c1ccc(Cl)cc1 ZINC000823308682 599554208 /nfs/dbraw/zinc/55/42/08/599554208.db2.gz HYSPVGZQSAKGTA-OAHLLOKOSA-N -1 3 354.801 3.499 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N1CC[C@@H]1c1ccc(Cl)cc1 ZINC000823308682 599554210 /nfs/dbraw/zinc/55/42/10/599554210.db2.gz HYSPVGZQSAKGTA-OAHLLOKOSA-N -1 3 354.801 3.499 20 0 FGADHM C[C@@H]1c2c(F)cccc2CCN1C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000736303155 599554824 /nfs/dbraw/zinc/55/48/24/599554824.db2.gz RZNRLIDZJLOPJS-ASCRHOAZSA-N -1 3 363.396 3.165 20 0 FGADHM C[C@@H]1c2c(F)cccc2CCN1C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000736303155 599554827 /nfs/dbraw/zinc/55/48/27/599554827.db2.gz RZNRLIDZJLOPJS-ASCRHOAZSA-N -1 3 363.396 3.165 20 0 FGADHM Fc1ccc(N2CCc3cccc(Br)c3C2)c(-c2nnn[n-]2)c1 ZINC000822778415 599565095 /nfs/dbraw/zinc/56/50/95/599565095.db2.gz HIQRJDIBPBPKFF-UHFFFAOYSA-N -1 3 374.217 3.331 20 0 FGADHM Fc1ccc(N2CCc3cccc(Br)c3C2)c(-c2nn[n-]n2)c1 ZINC000822778415 599565096 /nfs/dbraw/zinc/56/50/96/599565096.db2.gz HIQRJDIBPBPKFF-UHFFFAOYSA-N -1 3 374.217 3.331 20 0 FGADHM CCN(CC1CC1)C(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736533839 599568920 /nfs/dbraw/zinc/56/89/20/599568920.db2.gz FUCVDKCMJBJJCJ-UHFFFAOYSA-N -1 3 362.437 3.482 20 0 FGADHM Cc1ccc(N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)c(Cl)c3)C2=O)cc1 ZINC000822240953 599589169 /nfs/dbraw/zinc/58/91/69/599589169.db2.gz GIWSGMIOKZZPRU-MRXNPFEDSA-N -1 3 368.828 3.046 20 0 FGADHM Cc1ccc(N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)c(Cl)c3)C2=O)cc1 ZINC000822240953 599589172 /nfs/dbraw/zinc/58/91/72/599589172.db2.gz GIWSGMIOKZZPRU-MRXNPFEDSA-N -1 3 368.828 3.046 20 0 FGADHM CCCC(=O)COC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000736413278 599603782 /nfs/dbraw/zinc/60/37/82/599603782.db2.gz XRFSNOCSOLTNAW-UHFFFAOYSA-N -1 3 350.378 3.060 20 0 FGADHM CCCC(=O)COC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000736413278 599603784 /nfs/dbraw/zinc/60/37/84/599603784.db2.gz XRFSNOCSOLTNAW-UHFFFAOYSA-N -1 3 350.378 3.060 20 0 FGADHM Cc1cccc(C)c1C(=O)OCCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000737386059 599605610 /nfs/dbraw/zinc/60/56/10/599605610.db2.gz AKROEJLTCNVPBK-UHFFFAOYSA-N -1 3 352.394 3.109 20 0 FGADHM CCCC(=O)COC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736411901 599607478 /nfs/dbraw/zinc/60/74/78/599607478.db2.gz PZSYASFSDDALHP-UHFFFAOYSA-N -1 3 365.393 3.136 20 0 FGADHM CC[C@H](NC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1nccs1 ZINC000736360239 599608661 /nfs/dbraw/zinc/60/86/61/599608661.db2.gz AOQFHQPVVZWGMQ-NSHDSACASA-N -1 3 363.834 3.249 20 0 FGADHM CC[C@H](NC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1nccs1 ZINC000736360239 599608662 /nfs/dbraw/zinc/60/86/62/599608662.db2.gz AOQFHQPVVZWGMQ-NSHDSACASA-N -1 3 363.834 3.249 20 0 FGADHM O=C(OCc1cc(-c2nnn[n-]2)ccc1F)c1coc(-c2ccccc2)n1 ZINC000738236231 599609537 /nfs/dbraw/zinc/60/95/37/599609537.db2.gz GAFUMDGNJDZODU-UHFFFAOYSA-N -1 3 365.324 3.018 20 0 FGADHM O=C(OCc1cc(-c2nn[n-]n2)ccc1F)c1coc(-c2ccccc2)n1 ZINC000738236231 599609539 /nfs/dbraw/zinc/60/95/39/599609539.db2.gz GAFUMDGNJDZODU-UHFFFAOYSA-N -1 3 365.324 3.018 20 0 FGADHM C[C@@H](OC(=O)c1coc(-c2ccccc2)n1)c1cccc(-c2nnn[n-]2)c1 ZINC000736162169 599617561 /nfs/dbraw/zinc/61/75/61/599617561.db2.gz HSGGABXSIROHEV-GFCCVEGCSA-N -1 3 361.361 3.440 20 0 FGADHM C[C@@H](OC(=O)c1coc(-c2ccccc2)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000736162169 599617563 /nfs/dbraw/zinc/61/75/63/599617563.db2.gz HSGGABXSIROHEV-GFCCVEGCSA-N -1 3 361.361 3.440 20 0 FGADHM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)OCc1ccccc1-c1nnn[n-]1 ZINC000820938703 599620519 /nfs/dbraw/zinc/62/05/19/599620519.db2.gz MEEGOTNWQVLXSU-UNEWFSDZSA-N -1 3 358.442 3.284 20 0 FGADHM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)OCc1ccccc1-c1nn[n-]n1 ZINC000820938703 599620520 /nfs/dbraw/zinc/62/05/20/599620520.db2.gz MEEGOTNWQVLXSU-UNEWFSDZSA-N -1 3 358.442 3.284 20 0 FGADHM C[C@@H](CCc1cccc(F)c1)C(=O)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000820253516 599623234 /nfs/dbraw/zinc/62/32/34/599623234.db2.gz JIUJMGHHLXPDEP-ZDUSSCGKSA-N -1 3 354.385 3.318 20 0 FGADHM C[C@@H](CCc1cccc(F)c1)C(=O)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000820253516 599623235 /nfs/dbraw/zinc/62/32/35/599623235.db2.gz JIUJMGHHLXPDEP-ZDUSSCGKSA-N -1 3 354.385 3.318 20 0 FGADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1)c1cccc(-c2cscn2)c1 ZINC000823418864 599623509 /nfs/dbraw/zinc/62/35/09/599623509.db2.gz XYLIXXBDDWEEAI-UHFFFAOYSA-N -1 3 363.402 3.347 20 0 FGADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1)c1cccc(-c2cscn2)c1 ZINC000823418864 599623510 /nfs/dbraw/zinc/62/35/10/599623510.db2.gz XYLIXXBDDWEEAI-UHFFFAOYSA-N -1 3 363.402 3.347 20 0 FGADHM CC[C@@H](Cc1ccccc1)OC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000820915670 599625569 /nfs/dbraw/zinc/62/55/69/599625569.db2.gz WGEXPJZJQQFCCN-HOCLYGCPSA-N -1 3 366.421 3.199 20 0 FGADHM CC[C@@H](Cc1ccccc1)OC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000820915670 599625570 /nfs/dbraw/zinc/62/55/70/599625570.db2.gz WGEXPJZJQQFCCN-HOCLYGCPSA-N -1 3 366.421 3.199 20 0 FGADHM CO[C@@H](C)CCOC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000821673959 599627055 /nfs/dbraw/zinc/62/70/55/599627055.db2.gz PHOITPYZZFZPLB-ZDUSSCGKSA-N -1 3 352.394 3.116 20 0 FGADHM CO[C@@H](C)CCOC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000821673959 599627056 /nfs/dbraw/zinc/62/70/56/599627056.db2.gz PHOITPYZZFZPLB-ZDUSSCGKSA-N -1 3 352.394 3.116 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)c1cccc(F)c1OCC ZINC000821388984 599629506 /nfs/dbraw/zinc/62/95/06/599629506.db2.gz DFWYZZLRLJEXGS-UHFFFAOYSA-N -1 3 372.356 3.022 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)c1cccc(F)c1OCC ZINC000821388984 599629507 /nfs/dbraw/zinc/62/95/07/599629507.db2.gz DFWYZZLRLJEXGS-UHFFFAOYSA-N -1 3 372.356 3.022 20 0 FGADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)[C@@H](C)c1ccc(C)o1 ZINC000821699135 599629620 /nfs/dbraw/zinc/62/96/20/599629620.db2.gz DCLVVPZKIAFOQE-VIFPVBQESA-N -1 3 362.773 3.139 20 0 FGADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)[C@@H](C)c1ccc(C)o1 ZINC000821699135 599629621 /nfs/dbraw/zinc/62/96/21/599629621.db2.gz DCLVVPZKIAFOQE-VIFPVBQESA-N -1 3 362.773 3.139 20 0 FGADHM O=C(Cc1ccc(F)cc1)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000823083165 599632379 /nfs/dbraw/zinc/63/23/79/599632379.db2.gz ZRLJXWWEEPHQFV-UHFFFAOYSA-N -1 3 365.290 3.206 20 0 FGADHM O=C(Cc1ccc(F)cc1)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823083165 599632380 /nfs/dbraw/zinc/63/23/80/599632380.db2.gz ZRLJXWWEEPHQFV-UHFFFAOYSA-N -1 3 365.290 3.206 20 0 FGADHM O=C(CSC(F)(F)F)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000823055550 599633192 /nfs/dbraw/zinc/63/31/92/599633192.db2.gz QHGOQLKQIOGUDF-UHFFFAOYSA-N -1 3 371.266 3.077 20 0 FGADHM O=C(CSC(F)(F)F)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823055550 599633193 /nfs/dbraw/zinc/63/31/93/599633193.db2.gz QHGOQLKQIOGUDF-UHFFFAOYSA-N -1 3 371.266 3.077 20 0 FGADHM CC(C)CN(C(=O)c1ccncc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000820081628 599649202 /nfs/dbraw/zinc/64/92/02/599649202.db2.gz OKISTLGRIYHIFC-UHFFFAOYSA-N -1 3 356.817 3.218 20 0 FGADHM CC(C)CN(C(=O)c1ccncc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000820081628 599649203 /nfs/dbraw/zinc/64/92/03/599649203.db2.gz OKISTLGRIYHIFC-UHFFFAOYSA-N -1 3 356.817 3.218 20 0 FGADHM CCCCCC[C@H](C)C(=O)OCC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000821049522 599665153 /nfs/dbraw/zinc/66/51/53/599665153.db2.gz KPLMJHADDYVMCP-NSHDSACASA-N -1 3 365.459 3.016 20 0 FGADHM CCCCCC[C@H](C)C(=O)OCC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000821049522 599665154 /nfs/dbraw/zinc/66/51/54/599665154.db2.gz KPLMJHADDYVMCP-NSHDSACASA-N -1 3 365.459 3.016 20 0 FGADHM O=C(OCCOc1cccc(-c2nnn[n-]2)c1)[C@H]1C[C@@H]1C1CCCCC1 ZINC000823410493 599665539 /nfs/dbraw/zinc/66/55/39/599665539.db2.gz XQGSIPYINGUEBN-SJORKVTESA-N -1 3 356.426 3.005 20 0 FGADHM O=C(OCCOc1cccc(-c2nn[n-]n2)c1)[C@H]1C[C@@H]1C1CCCCC1 ZINC000823410493 599665540 /nfs/dbraw/zinc/66/55/40/599665540.db2.gz XQGSIPYINGUEBN-SJORKVTESA-N -1 3 356.426 3.005 20 0 FGADHM CSc1ccc(F)cc1CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC000821982981 599686587 /nfs/dbraw/zinc/68/65/87/599686587.db2.gz CFBWNPLWHQMUHG-UHFFFAOYSA-N -1 3 350.810 3.388 20 0 FGADHM CSc1ccc(F)cc1CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC000821982981 599686588 /nfs/dbraw/zinc/68/65/88/599686588.db2.gz CFBWNPLWHQMUHG-UHFFFAOYSA-N -1 3 350.810 3.388 20 0 FGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)c1cccc2cnccc21 ZINC000819976103 599689356 /nfs/dbraw/zinc/68/93/56/599689356.db2.gz MGGDSHZVGOTYOM-UHFFFAOYSA-N -1 3 361.409 3.224 20 0 FGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)c1cccc2cnccc21 ZINC000819976103 599689357 /nfs/dbraw/zinc/68/93/57/599689357.db2.gz MGGDSHZVGOTYOM-UHFFFAOYSA-N -1 3 361.409 3.224 20 0 FGADHM COc1ccc(COC(=O)[C@H]2C[C@H]2c2sccc2C)cc1-c1nnn[n-]1 ZINC000826205393 607390523 /nfs/dbraw/zinc/39/05/23/607390523.db2.gz UYYGTMZPHQAXNV-OLZOCXBDSA-N -1 3 370.434 3.092 20 0 FGADHM COc1ccc(COC(=O)[C@H]2C[C@H]2c2sccc2C)cc1-c1nn[n-]n1 ZINC000826205393 607390525 /nfs/dbraw/zinc/39/05/25/607390525.db2.gz UYYGTMZPHQAXNV-OLZOCXBDSA-N -1 3 370.434 3.092 20 0 FGADHM CC(C)Oc1ccc(NC(=O)c2cccc3cnccc32)cc1-c1nnn[n-]1 ZINC000820174174 607394762 /nfs/dbraw/zinc/39/47/62/607394762.db2.gz OPWKKPLBMPVZKV-UHFFFAOYSA-N -1 3 374.404 3.454 20 0 FGADHM CC(C)Oc1ccc(NC(=O)c2cccc3cnccc32)cc1-c1nn[n-]n1 ZINC000820174174 607394764 /nfs/dbraw/zinc/39/47/64/607394764.db2.gz OPWKKPLBMPVZKV-UHFFFAOYSA-N -1 3 374.404 3.454 20 0 FGADHM Cc1cc(Cl)ncc1NC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826267780 607394773 /nfs/dbraw/zinc/39/47/73/607394773.db2.gz WNSBXMJQRFBRER-UHFFFAOYSA-N -1 3 369.816 3.034 20 0 FGADHM Cc1cc(Cl)ncc1NC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826267780 607394774 /nfs/dbraw/zinc/39/47/74/607394774.db2.gz WNSBXMJQRFBRER-UHFFFAOYSA-N -1 3 369.816 3.034 20 0 FGADHM Cc1ccc(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)c(Br)c1 ZINC000826282249 607854951 /nfs/dbraw/zinc/85/49/51/607854951.db2.gz FTQVZHXKOXEIQH-UHFFFAOYSA-N -1 3 372.226 3.498 20 0 FGADHM Cc1ccc(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)c(Br)c1 ZINC000826282249 607854952 /nfs/dbraw/zinc/85/49/52/607854952.db2.gz FTQVZHXKOXEIQH-UHFFFAOYSA-N -1 3 372.226 3.498 20 0 FGADHM COc1cc(C)sc1C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000821712823 607397287 /nfs/dbraw/zinc/39/72/87/607397287.db2.gz MOKCEQGWYWGCBE-UHFFFAOYSA-N -1 3 373.438 3.285 20 0 FGADHM COc1cc(C)sc1C(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000821712823 607397288 /nfs/dbraw/zinc/39/72/88/607397288.db2.gz MOKCEQGWYWGCBE-UHFFFAOYSA-N -1 3 373.438 3.285 20 0 FGADHM Cc1cccc(CC(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)c1 ZINC000822299677 607399860 /nfs/dbraw/zinc/39/98/60/607399860.db2.gz QUKVUXALKVYXHN-UHFFFAOYSA-N -1 3 351.410 3.144 20 0 FGADHM Cc1cccc(CC(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)c1 ZINC000822299677 607399862 /nfs/dbraw/zinc/39/98/62/607399862.db2.gz QUKVUXALKVYXHN-UHFFFAOYSA-N -1 3 351.410 3.144 20 0 FGADHM Cc1oc(C)c(C(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)c1C ZINC000822540942 607401444 /nfs/dbraw/zinc/40/14/44/607401444.db2.gz HOSOXWZCCIEWAN-UHFFFAOYSA-N -1 3 355.398 3.424 20 0 FGADHM Cc1oc(C)c(C(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)c1C ZINC000822540942 607401445 /nfs/dbraw/zinc/40/14/45/607401445.db2.gz HOSOXWZCCIEWAN-UHFFFAOYSA-N -1 3 355.398 3.424 20 0 FGADHM CSc1ccc(C(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)o1 ZINC000821976463 607402580 /nfs/dbraw/zinc/40/25/80/607402580.db2.gz AWNLHYUPYQRBQK-UHFFFAOYSA-N -1 3 359.411 3.221 20 0 FGADHM CSc1ccc(C(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)o1 ZINC000821976463 607402581 /nfs/dbraw/zinc/40/25/81/607402581.db2.gz AWNLHYUPYQRBQK-UHFFFAOYSA-N -1 3 359.411 3.221 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)[C@@H]1SCCc2ccccc21 ZINC000826252965 607404237 /nfs/dbraw/zinc/40/42/37/607404237.db2.gz ANVKUSFRKDDNIE-QGZVFWFLSA-N -1 3 366.446 3.249 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)[C@@H]1SCCc2ccccc21 ZINC000826252965 607404238 /nfs/dbraw/zinc/40/42/38/607404238.db2.gz ANVKUSFRKDDNIE-QGZVFWFLSA-N -1 3 366.446 3.249 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)C(C)(C)c1ccccc1F ZINC000826252913 607406240 /nfs/dbraw/zinc/40/62/40/607406240.db2.gz XVQOSZLAQLEERQ-UHFFFAOYSA-N -1 3 354.385 3.335 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)C(C)(C)c1ccccc1F ZINC000826252913 607406241 /nfs/dbraw/zinc/40/62/41/607406241.db2.gz XVQOSZLAQLEERQ-UHFFFAOYSA-N -1 3 354.385 3.335 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000826253392 607406364 /nfs/dbraw/zinc/40/63/64/607406364.db2.gz OBYUXYWMFFAACE-HUUCEWRRSA-N -1 3 370.359 3.300 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000826253392 607406366 /nfs/dbraw/zinc/40/63/66/607406366.db2.gz OBYUXYWMFFAACE-HUUCEWRRSA-N -1 3 370.359 3.300 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)[C@@H](C)CCOc1ccccc1 ZINC000826252739 607407235 /nfs/dbraw/zinc/40/72/35/607407235.db2.gz POLSZIATQZMZGP-AWEZNQCLSA-N -1 3 366.421 3.324 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)[C@@H](C)CCOc1ccccc1 ZINC000826252739 607407237 /nfs/dbraw/zinc/40/72/37/607407237.db2.gz POLSZIATQZMZGP-AWEZNQCLSA-N -1 3 366.421 3.324 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)C=Cc1ccnc2ccccc12 ZINC000826253474 607408245 /nfs/dbraw/zinc/40/82/45/607408245.db2.gz RMXWEYLRWLYLME-HJWRWDBZSA-N -1 3 371.400 3.480 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)C=Cc1ccnc2ccccc12 ZINC000826253474 607408247 /nfs/dbraw/zinc/40/82/47/607408247.db2.gz RMXWEYLRWLYLME-HJWRWDBZSA-N -1 3 371.400 3.480 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)c1ccccc1OC(F)F ZINC000826254759 607408419 /nfs/dbraw/zinc/40/84/19/607408419.db2.gz ZPWHTKSGPPTATO-UHFFFAOYSA-N -1 3 360.320 3.134 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)c1ccccc1OC(F)F ZINC000826254759 607408420 /nfs/dbraw/zinc/40/84/20/607408420.db2.gz ZPWHTKSGPPTATO-UHFFFAOYSA-N -1 3 360.320 3.134 20 0 FGADHM CCSc1ccc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2C)cn1 ZINC000825674599 607412545 /nfs/dbraw/zinc/41/25/45/607412545.db2.gz OQDRIEJRDXOFAN-UHFFFAOYSA-N -1 3 355.423 3.039 20 0 FGADHM CCSc1ccc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2C)cn1 ZINC000825674599 607412546 /nfs/dbraw/zinc/41/25/46/607412546.db2.gz OQDRIEJRDXOFAN-UHFFFAOYSA-N -1 3 355.423 3.039 20 0 FGADHM C[C@H](c1ccccc1)N1CC[C@H](NC(=O)CCc2ccc(C(=O)[O-])cc2)C1 ZINC000736722141 600041269 /nfs/dbraw/zinc/04/12/69/600041269.db2.gz 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/nfs/dbraw/zinc/42/18/19/607421819.db2.gz YJZXQNQRMBSHQQ-SFHVURJKSA-N -1 3 364.405 3.146 20 0 FGADHM CC(C)Oc1ccc(NC(=O)N2CCCCC[C@@H]2C)cc1-c1nnn[n-]1 ZINC000820164062 607429214 /nfs/dbraw/zinc/42/92/14/607429214.db2.gz BRROGJHVEFPDNK-ZDUSSCGKSA-N -1 3 358.446 3.450 20 0 FGADHM CC(C)Oc1ccc(NC(=O)N2CCCCC[C@@H]2C)cc1-c1nn[n-]n1 ZINC000820164062 607429215 /nfs/dbraw/zinc/42/92/15/607429215.db2.gz BRROGJHVEFPDNK-ZDUSSCGKSA-N -1 3 358.446 3.450 20 0 FGADHM CCN(C(=O)c1ccc(-c2nnn[n-]2)cc1C)c1nc2ccccc2s1 ZINC000825380801 607429811 /nfs/dbraw/zinc/42/98/11/607429811.db2.gz UCFKUTCMRKYYPA-UHFFFAOYSA-N -1 3 364.434 3.452 20 0 FGADHM CCN(C(=O)c1ccc(-c2nn[n-]n2)cc1C)c1nc2ccccc2s1 ZINC000825380801 607429814 /nfs/dbraw/zinc/42/98/14/607429814.db2.gz UCFKUTCMRKYYPA-UHFFFAOYSA-N -1 3 364.434 3.452 20 0 FGADHM CN(C(=O)c1ccc(Oc2cccnc2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825829412 607434025 /nfs/dbraw/zinc/43/40/25/607434025.db2.gz FBUFCDCCZABEDR-UHFFFAOYSA-N -1 3 372.388 3.331 20 0 FGADHM CN(C(=O)c1ccc(Oc2cccnc2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825829412 607434027 /nfs/dbraw/zinc/43/40/27/607434027.db2.gz FBUFCDCCZABEDR-UHFFFAOYSA-N -1 3 372.388 3.331 20 0 FGADHM O=C([O-])[C@@H]1CC12CCN(Cn1c3ccccc3nc1SC(F)F)CC2 ZINC000739536583 600280168 /nfs/dbraw/zinc/28/01/68/600280168.db2.gz NJUUXWLUYNALQQ-NSHDSACASA-N -1 3 367.421 3.495 20 0 FGADHM CN(C(=O)Cc1c[nH]c2ccc(Cl)cc12)c1ccc(-c2nnn[n-]2)cc1 ZINC000825820398 607435236 /nfs/dbraw/zinc/43/52/36/607435236.db2.gz CXURMYAFHWZMLJ-UHFFFAOYSA-N -1 3 366.812 3.207 20 0 FGADHM CN(C(=O)Cc1c[nH]c2ccc(Cl)cc12)c1ccc(-c2nn[n-]n2)cc1 ZINC000825820398 607435237 /nfs/dbraw/zinc/43/52/37/607435237.db2.gz CXURMYAFHWZMLJ-UHFFFAOYSA-N -1 3 366.812 3.207 20 0 FGADHM C[C@@H](CCc1cccc(F)c1)C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000824406144 607436598 /nfs/dbraw/zinc/43/65/98/607436598.db2.gz DNVASYLOZHJLOM-ZDUSSCGKSA-N -1 3 353.401 3.238 20 0 FGADHM C[C@@H](CCc1cccc(F)c1)C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000824406144 607436600 /nfs/dbraw/zinc/43/66/00/607436600.db2.gz DNVASYLOZHJLOM-ZDUSSCGKSA-N -1 3 353.401 3.238 20 0 FGADHM O=C([O-])CCN(Cc1ccc(F)c(F)c1)C[C@@H](O)c1ccc(F)c(F)c1 ZINC000739720014 600329296 /nfs/dbraw/zinc/32/92/96/600329296.db2.gz GFTFPMGBOGRICM-QGZVFWFLSA-N -1 3 371.330 3.253 20 0 FGADHM C[C@H](CNC(=O)Nc1ccc(CNC(=O)[O-])cc1)N(C)Cc1ccccc1 ZINC000736599259 600356802 /nfs/dbraw/zinc/35/68/02/600356802.db2.gz UCVUKMKCOYGMHH-OAHLLOKOSA-N -1 3 370.453 3.096 20 0 FGADHM O=C([O-])[C@H](c1cccc(Cl)c1)N1CCC(C(=O)N2CCCCC2)CC1 ZINC000739519446 600402058 /nfs/dbraw/zinc/40/20/58/600402058.db2.gz YMUONMOIKOKASZ-KRWDZBQOSA-N -1 3 364.873 3.190 20 0 FGADHM COC(=O)c1cc(CN[C@H](C(=O)[O-])c2cccc(Cl)c2)ccc1OC ZINC000737653901 600420627 /nfs/dbraw/zinc/42/06/27/600420627.db2.gz MKJMUMKNVVTSML-INIZCTEOSA-N -1 3 363.797 3.051 20 0 FGADHM CCN(CC)C(=O)c1ccc(CN[C@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC000737085426 600422171 /nfs/dbraw/zinc/42/21/71/600422171.db2.gz ZUBJNEJMQZOELK-SFHVURJKSA-N -1 3 358.413 3.223 20 0 FGADHM CCN(C(=O)CCC(C)(C)C(C)=O)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821147781 607452237 /nfs/dbraw/zinc/45/22/37/607452237.db2.gz JEOIMHPBGKQOGF-CYBMUJFWSA-N -1 3 357.458 3.172 20 0 FGADHM CCN(C(=O)CCC(C)(C)C(C)=O)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821147781 607452239 /nfs/dbraw/zinc/45/22/39/607452239.db2.gz JEOIMHPBGKQOGF-CYBMUJFWSA-N -1 3 357.458 3.172 20 0 FGADHM O=C([O-])c1ccc(F)c(NC(=O)NC[C@@H]2CCCN2Cc2ccccc2)c1 ZINC000390642854 600540056 /nfs/dbraw/zinc/54/00/56/600540056.db2.gz LKTRTYQVFOCKDC-INIZCTEOSA-N -1 3 371.412 3.310 20 0 FGADHM CC(C)[C@@H]1CCCC[C@@H]1NC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000824215905 607454863 /nfs/dbraw/zinc/45/48/63/607454863.db2.gz NSOQTTBTTOASCX-IRXDYDNUSA-N -1 3 368.485 3.370 20 0 FGADHM CC(C)[C@@H]1CCCC[C@@H]1NC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000824215905 607454865 /nfs/dbraw/zinc/45/48/65/607454865.db2.gz NSOQTTBTTOASCX-IRXDYDNUSA-N -1 3 368.485 3.370 20 0 FGADHM Cc1ccc(-c2cc(NC(=O)c3ccc(-c4nnn[n-]4)cc3C)n[nH]2)s1 ZINC000826272862 607462076 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FGADHM COc1ccc(-n2c(CN3C[C@H](C)[C@H](C(=O)[O-])C3)nc3ccccc32)cc1 ZINC000832138402 601530350 /nfs/dbraw/zinc/53/03/50/601530350.db2.gz HIHVCXVZECBFGE-WMLDXEAASA-N -1 3 365.433 3.187 20 0 FGADHM O=C([O-])[C@@]1(F)CCN(CCC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000833100692 601557527 /nfs/dbraw/zinc/55/75/27/601557527.db2.gz YOMLJZXHPYMQJH-HXUWFJFHSA-N -1 3 372.396 3.306 20 0 FGADHM CCOc1ccccc1NC(=O)[C@H](NCC(C)(C)C(=O)[O-])c1ccccc1 ZINC000830109444 601647299 /nfs/dbraw/zinc/64/72/99/601647299.db2.gz AYZBXGMURCIBIK-GOSISDBHSA-N -1 3 370.449 3.466 20 0 FGADHM C[C@H](C(=O)[O-])[C@H](NCC(=O)NCCc1ccc(Cl)cc1)c1ccccc1 ZINC000826055362 601651330 /nfs/dbraw/zinc/65/13/30/601651330.db2.gz ZHRNUIKCBDWMHX-LIRRHRJNSA-N -1 3 374.868 3.050 20 0 FGADHM C[C@@H](C(=O)[O-])[C@H](NCC(=O)Nc1nc2ccccc2s1)c1ccccc1 ZINC000826054253 601651346 /nfs/dbraw/zinc/65/13/46/601651346.db2.gz LMYFAAXCFRVHOH-PXAZEXFGSA-N -1 3 369.446 3.286 20 0 FGADHM Cc1cc(C(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)c(C)s1 ZINC000832863413 601729281 /nfs/dbraw/zinc/72/92/81/601729281.db2.gz QAQRQZGJEIEURH-FQEVSTJZSA-N -1 3 372.490 3.214 20 0 FGADHM CN(C)CCN(Cc1ccco1)C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000830608936 601795827 /nfs/dbraw/zinc/79/58/27/601795827.db2.gz LWQRUKZSMQJGNB-UHFFFAOYSA-N -1 3 373.453 3.238 20 0 FGADHM COc1sc(C=Cc2ccc(-c3nnn[n-]3)cn2)cc1Br ZINC000826221933 607528375 /nfs/dbraw/zinc/52/83/75/607528375.db2.gz BAZIRMKMGPHRFF-PLNGDYQASA-N -1 3 364.228 3.265 20 0 FGADHM COc1sc(C=Cc2ccc(-c3nn[n-]n3)cn2)cc1Br ZINC000826221933 607528377 /nfs/dbraw/zinc/52/83/77/607528377.db2.gz BAZIRMKMGPHRFF-PLNGDYQASA-N -1 3 364.228 3.265 20 0 FGADHM C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N1CCC(CCC(=O)[O-])CC1 ZINC000662219309 601845358 /nfs/dbraw/zinc/84/53/58/601845358.db2.gz RODFWVDKMJTQJG-OSONQDNFSA-N -1 3 362.514 3.037 20 0 FGADHM COc1ccc(CSCc2ccc(OC)c(-c3nnn[n-]3)c2)cc1F ZINC000826207820 607532436 /nfs/dbraw/zinc/53/24/36/607532436.db2.gz FXYVURRPYYRHPD-UHFFFAOYSA-N -1 3 360.414 3.456 20 0 FGADHM COc1ccc(CSCc2ccc(OC)c(-c3nn[n-]n3)c2)cc1F ZINC000826207820 607532438 /nfs/dbraw/zinc/53/24/38/607532438.db2.gz FXYVURRPYYRHPD-UHFFFAOYSA-N -1 3 360.414 3.456 20 0 FGADHM COc1ccc(CSCc2noc3c2CCCC3)cc1-c1nnn[n-]1 ZINC000826207969 607534397 /nfs/dbraw/zinc/53/43/97/607534397.db2.gz MPLBZFMBTHDHSL-UHFFFAOYSA-N -1 3 357.439 3.176 20 0 FGADHM COc1ccc(CSCc2noc3c2CCCC3)cc1-c1nn[n-]n1 ZINC000826207969 607534398 /nfs/dbraw/zinc/53/43/98/607534398.db2.gz MPLBZFMBTHDHSL-UHFFFAOYSA-N -1 3 357.439 3.176 20 0 FGADHM CCCNC(=O)[C@@H]1CCCN([C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)C1 ZINC000829507999 602037029 /nfs/dbraw/zinc/03/70/29/602037029.db2.gz MOYCOJARSXNJMJ-IAQYHMDHSA-N -1 3 373.280 3.357 20 0 FGADHM C[C@@H]1C[C@H](NC(=O)Nc2ccc(C(=O)[O-])cc2F)CN1Cc1ccccc1 ZINC000398179210 602038671 /nfs/dbraw/zinc/03/86/71/602038671.db2.gz JUWVXFBQLHYEOW-CJNGLKHVSA-N -1 3 371.412 3.308 20 0 FGADHM Cc1nc([C@H]2CCCN([C@@H](C(=O)[O-])c3cc(Cl)cc(Cl)c3)C2)n[nH]1 ZINC000832996792 602051736 /nfs/dbraw/zinc/05/17/36/602051736.db2.gz GESPKQQNKYLKPM-IINYFYTJSA-N -1 3 369.252 3.425 20 0 FGADHM Cc1n[nH]c([C@H]2CCCN([C@@H](C(=O)[O-])c3cc(Cl)cc(Cl)c3)C2)n1 ZINC000832996792 602051739 /nfs/dbraw/zinc/05/17/39/602051739.db2.gz GESPKQQNKYLKPM-IINYFYTJSA-N -1 3 369.252 3.425 20 0 FGADHM O=C([O-])[C@@H]1CCCCCC[C@@H]1NC(=O)c1cccc(CN2CCCC2)c1 ZINC000833132147 602056921 /nfs/dbraw/zinc/05/69/21/602056921.db2.gz VCFUDXKZOOXZRL-MOPGFXCFSA-N -1 3 358.482 3.436 20 0 FGADHM C[C@H](CNC(=O)OC(C)(C)C)CNc1c(Cl)cccc1-c1nnn[n-]1 ZINC000824420020 607542010 /nfs/dbraw/zinc/54/20/10/607542010.db2.gz FDNLWIHFYDZWSC-JTQLQIEISA-N -1 3 366.853 3.093 20 0 FGADHM C[C@H](CNC(=O)OC(C)(C)C)CNc1c(Cl)cccc1-c1nn[n-]n1 ZINC000824420020 607542011 /nfs/dbraw/zinc/54/20/11/607542011.db2.gz FDNLWIHFYDZWSC-JTQLQIEISA-N -1 3 366.853 3.093 20 0 FGADHM Fc1ccc([C@H](NCc2ccnc(-c3nnn[n-]3)c2)c2ccccc2)cc1 ZINC000826373533 607549784 /nfs/dbraw/zinc/54/97/84/607549784.db2.gz PWTCUEFESMCJNE-LJQANCHMSA-N -1 3 360.396 3.280 20 0 FGADHM CCC(C)(C)[C@@H]1CCCN1C(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000825039889 607548426 /nfs/dbraw/zinc/54/84/26/607548426.db2.gz YEALWEJCADSKFG-CJNGLKHVSA-N -1 3 357.458 3.061 20 0 FGADHM CC(C)[C@H](NCCC1CCN(C(=O)[O-])CC1)c1nc(-c2cccnc2)no1 ZINC000738797665 602184304 /nfs/dbraw/zinc/18/43/04/602184304.db2.gz PAAMEZRGVFWAJB-INIZCTEOSA-N -1 3 373.457 3.198 20 0 FGADHM O=C([O-])c1cc(CNCc2ccc(C(=O)Nc3ccc(F)cc3)cc2)c[nH]1 ZINC000833156956 602193396 /nfs/dbraw/zinc/19/33/96/602193396.db2.gz LUIIZJAXNLUJBE-UHFFFAOYSA-N -1 3 367.380 3.394 20 0 FGADHM COc1ccccc1[C@H](CNCC1=Cc2ccccc2OC1)NC(=O)[O-] ZINC000739964103 602270540 /nfs/dbraw/zinc/27/05/40/602270540.db2.gz PKAUIRGPWXTAHN-KRWDZBQOSA-N -1 3 354.406 3.070 20 0 FGADHM CN(C(=O)Nc1ccc(C(=O)[O-])cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000381783337 602363080 /nfs/dbraw/zinc/36/30/80/602363080.db2.gz YPSCRHYJBXUROB-SFHVURJKSA-N -1 3 353.422 3.123 20 0 FGADHM CN(C)CCN(Cc1cccs1)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000830608902 602385708 /nfs/dbraw/zinc/38/57/08/602385708.db2.gz KJQVWSDACKLWGU-UHFFFAOYSA-N -1 3 365.430 3.181 20 0 FGADHM O=C([O-])c1ccc(NC(=O)NC[C@H]2CCCN2Cc2ccccc2)cc1F ZINC000390605103 602386663 /nfs/dbraw/zinc/38/66/63/602386663.db2.gz XIVWBDXGGARRAM-MRXNPFEDSA-N -1 3 371.412 3.310 20 0 FGADHM O=C(Nc1sccc1-c1nnn[n-]1)c1cc(-c2ccccc2)ns1 ZINC000826460995 607577196 /nfs/dbraw/zinc/57/71/96/607577196.db2.gz ASCZTZLOBJDUBL-UHFFFAOYSA-N -1 3 354.420 3.304 20 0 FGADHM O=C(Nc1sccc1-c1nn[n-]n1)c1cc(-c2ccccc2)ns1 ZINC000826460995 607577198 /nfs/dbraw/zinc/57/71/98/607577198.db2.gz ASCZTZLOBJDUBL-UHFFFAOYSA-N -1 3 354.420 3.304 20 0 FGADHM CC[C@H](SC)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000825158964 607578182 /nfs/dbraw/zinc/57/81/82/607578182.db2.gz FUBDZPYDQPWKBA-AWEZNQCLSA-N -1 3 370.438 3.134 20 0 FGADHM CN(CCc1nccs1)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000825950599 607811061 /nfs/dbraw/zinc/81/10/61/607811061.db2.gz SAWARQXVSROMBU-UHFFFAOYSA-N -1 3 354.361 3.021 20 0 FGADHM Cc1nn(-c2ccccc2)c(Cl)c1CNCC[C@@H]1CCN(C(=O)[O-])C1 ZINC000740242974 602686908 /nfs/dbraw/zinc/68/69/08/602686908.db2.gz NIDSQECHGQVQSK-CQSZACIVSA-N -1 3 362.861 3.314 20 0 FGADHM O=C([O-])N1CCC[C@H](CN2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)C1 ZINC000740512064 602703759 /nfs/dbraw/zinc/70/37/59/602703759.db2.gz NBHVEGNALQGVAZ-GMTAPVOTSA-N -1 3 362.314 3.439 20 0 FGADHM CN(CCc1nccs1)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000825950599 607811062 /nfs/dbraw/zinc/81/10/62/607811062.db2.gz SAWARQXVSROMBU-UHFFFAOYSA-N -1 3 354.361 3.021 20 0 FGADHM COc1ccc(CNC(=O)c2ccc(C(C)(C)C)s2)cc1-c1nnn[n-]1 ZINC000826200710 607585002 /nfs/dbraw/zinc/58/50/02/607585002.db2.gz FEPGGHZGXJWSOF-UHFFFAOYSA-N -1 3 371.466 3.164 20 0 FGADHM COc1ccc(CNC(=O)c2ccc(C(C)(C)C)s2)cc1-c1nn[n-]n1 ZINC000826200710 607585003 /nfs/dbraw/zinc/58/50/03/607585003.db2.gz FEPGGHZGXJWSOF-UHFFFAOYSA-N -1 3 371.466 3.164 20 0 FGADHM CC[C@H](C(=O)OCc1ccc(OC)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000825038520 607593700 /nfs/dbraw/zinc/59/37/00/607593700.db2.gz DSPBPCUREVMSDS-HNNXBMFYSA-N -1 3 352.394 3.112 20 0 FGADHM CC[C@H](C(=O)OCc1ccc(OC)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000825038520 607593703 /nfs/dbraw/zinc/59/37/03/607593703.db2.gz DSPBPCUREVMSDS-HNNXBMFYSA-N -1 3 352.394 3.112 20 0 FGADHM COc1ccc(COC(=O)CC/C=C/c2ccccc2)cc1-c1nnn[n-]1 ZINC000826205268 607608948 /nfs/dbraw/zinc/60/89/48/607608948.db2.gz QNDIZPUCSJMMCZ-WEVVVXLNSA-N -1 3 364.405 3.412 20 0 FGADHM COc1ccc(COC(=O)CC/C=C/c2ccccc2)cc1-c1nn[n-]n1 ZINC000826205268 607608951 /nfs/dbraw/zinc/60/89/51/607608951.db2.gz QNDIZPUCSJMMCZ-WEVVVXLNSA-N -1 3 364.405 3.412 20 0 FGADHM O=C([O-])Nc1ccc(C(=O)NC[C@H]2CCCN2Cc2ccccc2)cc1 ZINC000738661629 603174677 /nfs/dbraw/zinc/17/46/77/603174677.db2.gz XRQAAPKYKDXSMC-GOSISDBHSA-N -1 3 353.422 3.171 20 0 FGADHM C[C@H](C(=O)NC[C@H](c1ccccc1)N(C)C)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823693776 603222852 /nfs/dbraw/zinc/22/28/52/603222852.db2.gz MRYNCZWQPZZTPJ-KFKAGJAMSA-N -1 3 369.465 3.051 20 0 FGADHM CC(C)C[C@](C)(CNC(=O)[O-])NC(=O)c1cccc(CN2CCCC2)c1 ZINC000738806140 603228530 /nfs/dbraw/zinc/22/85/30/603228530.db2.gz LYVYZBFDLPACLZ-HXUWFJFHSA-N -1 3 361.486 3.085 20 0 FGADHM CCc1cc2oc(=O)cc(CN(C)CCCNC(=O)[O-])c2cc1Cl ZINC000739541300 603252240 /nfs/dbraw/zinc/25/22/40/603252240.db2.gz AYHJSVOIEGTJIV-UHFFFAOYSA-N -1 3 352.818 3.098 20 0 FGADHM CC1CCC(N2CCN(C(=O)Nc3cccc(CNC(=O)[O-])c3)CC2)CC1 ZINC000739083332 603321351 /nfs/dbraw/zinc/32/13/51/603321351.db2.gz CPIVSHNGAGLOGM-UHFFFAOYSA-N -1 3 374.485 3.182 20 0 FGADHM CN(C)C[C@@H](NC(=O)Nc1cccc(CN(C)C(=O)[O-])c1)c1ccccc1 ZINC000739607622 603365054 /nfs/dbraw/zinc/36/50/54/603365054.db2.gz NKKYTEGQDKURCS-GOSISDBHSA-N -1 3 370.453 3.221 20 0 FGADHM C[C@H](NC[C@H](O)[C@H](Cc1ccccc1)NC(=O)[O-])c1ccccc1Cl ZINC000825501417 603395603 /nfs/dbraw/zinc/39/56/03/603395603.db2.gz DLBHTYYEDNQAFF-KKXDTOCCSA-N -1 3 362.857 3.230 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1CN1CCc2c(Cl)cccc2C1 ZINC000826184169 607632349 /nfs/dbraw/zinc/63/23/49/607632349.db2.gz NCKUHZNUZJEEBJ-UHFFFAOYSA-N -1 3 355.829 3.087 20 0 FGADHM O=C([O-])N1CCC[C@H](CNCc2csc(CCc3ccccc3)n2)C1 ZINC000831980739 603580378 /nfs/dbraw/zinc/58/03/78/603580378.db2.gz NZRDMLCRTJVCGY-MRXNPFEDSA-N -1 3 359.495 3.408 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1CN[C@@H](c1ccccc1)c1ccccn1 ZINC000826184119 607643162 /nfs/dbraw/zinc/64/31/62/607643162.db2.gz LRCPUKVKUJOIIU-FQEVSTJZSA-N -1 3 372.432 3.150 20 0 FGADHM CCc1cccc(NC(=S)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)c1 ZINC000825723310 607647473 /nfs/dbraw/zinc/64/74/73/607647473.db2.gz XGHVZZWPYDPGEO-UHFFFAOYSA-N -1 3 364.478 3.405 20 0 FGADHM CCc1cccc(NC(=S)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)c1 ZINC000825723310 607647475 /nfs/dbraw/zinc/64/74/75/607647475.db2.gz XGHVZZWPYDPGEO-UHFFFAOYSA-N -1 3 364.478 3.405 20 0 FGADHM CC(C)[C@@H](NC(=O)CN(C)C1CCC(NC(=O)[O-])CC1)c1ccccc1 ZINC000824129531 603781615 /nfs/dbraw/zinc/78/16/15/603781615.db2.gz QJZQUSWXFGXVIH-FAFZWHIHSA-N -1 3 361.486 3.011 20 0 FGADHM Cc1ccc([C@H](NC(=O)CN(C)C2CCC(NC(=O)[O-])CC2)C2CC2)cc1 ZINC000830262316 603787211 /nfs/dbraw/zinc/78/72/11/603787211.db2.gz NGIBCWXUMIGFEX-QLOJAFMTSA-N -1 3 373.497 3.073 20 0 FGADHM CN(CC(=O)N(C)[C@H]1CCCc2ccccc21)C1CCC(NC(=O)[O-])CC1 ZINC000828086653 603788140 /nfs/dbraw/zinc/78/81/40/603788140.db2.gz XQCJQYBBWNQGKY-TVPLGVNVSA-N -1 3 373.497 3.033 20 0 FGADHM O=C(CSc1nc2ccccc2s1)c1cccc(-c2nnn[n-]2)c1 ZINC000826421425 607655986 /nfs/dbraw/zinc/65/59/86/607655986.db2.gz HMVDYMDLUBWILB-UHFFFAOYSA-N -1 3 353.432 3.451 20 0 FGADHM O=C(CSc1nc2ccccc2s1)c1cccc(-c2nn[n-]n2)c1 ZINC000826421425 607655987 /nfs/dbraw/zinc/65/59/87/607655987.db2.gz HMVDYMDLUBWILB-UHFFFAOYSA-N -1 3 353.432 3.451 20 0 FGADHM CC(C)Oc1ccc([C@@H](O)CNCc2cccc3c2N(C(=O)[O-])CC3)cc1 ZINC000824412000 603861794 /nfs/dbraw/zinc/86/17/94/603861794.db2.gz SANZCWNDEDCYCN-IBGZPJMESA-N -1 3 370.449 3.338 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@H](c1ccccc1)c1ccccn1 ZINC000826246992 607656651 /nfs/dbraw/zinc/65/66/51/607656651.db2.gz QSOPCSAWXUBVGL-LJQANCHMSA-N -1 3 370.416 3.090 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@H](c1ccccc1)c1ccccn1 ZINC000826246992 607656652 /nfs/dbraw/zinc/65/66/52/607656652.db2.gz QSOPCSAWXUBVGL-LJQANCHMSA-N -1 3 370.416 3.090 20 0 FGADHM Cc1ccsc1[C@@H]1C[C@H]1C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826316361 607660950 /nfs/dbraw/zinc/66/09/50/607660950.db2.gz LGGWBWDGBDOQBV-KCPJHIHWSA-N -1 3 353.451 3.218 20 0 FGADHM Cc1ccsc1[C@@H]1C[C@H]1C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826316361 607660952 /nfs/dbraw/zinc/66/09/52/607660952.db2.gz LGGWBWDGBDOQBV-KCPJHIHWSA-N -1 3 353.451 3.218 20 0 FGADHM C[C@@H](NC(=O)CN(C)C1CCN(C(=O)[O-])CC1)c1cccc2ccccc21 ZINC000825114711 603990762 /nfs/dbraw/zinc/99/07/62/603990762.db2.gz GQJFTVCTWGHJLF-OAHLLOKOSA-N -1 3 369.465 3.091 20 0 FGADHM CN(C)C[C@@H](NC(=O)Nc1cccc2c1CCN2C(=O)[O-])c1ccccc1 ZINC000828017801 603993811 /nfs/dbraw/zinc/99/38/11/603993811.db2.gz WOKZCGUXPIZIRG-QGZVFWFLSA-N -1 3 368.437 3.152 20 0 FGADHM Cc1ccc(CN(C)C)cc1NC(=O)C[C@@H](Cc1ccccc1)NC(=O)[O-] ZINC000830308236 604083985 /nfs/dbraw/zinc/08/39/85/604083985.db2.gz HIEAZEIOPCLFGX-GOSISDBHSA-N -1 3 369.465 3.264 20 0 FGADHM C[C@@H](NC(=O)[O-])[C@H]1CCCN(Cc2cccc(C(=O)N3CCCCC3)c2)C1 ZINC000825266447 604215486 /nfs/dbraw/zinc/21/54/86/604215486.db2.gz WDTSORWYLUGPCE-APWZRJJASA-N -1 3 373.497 3.181 20 0 FGADHM CC[C@H](C)OCC(=O)Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000825075874 607687163 /nfs/dbraw/zinc/68/71/63/607687163.db2.gz RYQFGCISQCPRMB-ZDUSSCGKSA-N -1 3 352.394 3.254 20 0 FGADHM CC[C@H](C)OCC(=O)Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825075874 607687165 /nfs/dbraw/zinc/68/71/65/607687165.db2.gz RYQFGCISQCPRMB-ZDUSSCGKSA-N -1 3 352.394 3.254 20 0 FGADHM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1cc(F)c(Cl)cc1Cl ZINC000824513740 607683988 /nfs/dbraw/zinc/68/39/88/607683988.db2.gz HGQWHMGNKMXZLT-LURJTMIESA-N -1 3 369.187 3.132 20 0 FGADHM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1cc(F)c(Cl)cc1Cl ZINC000824513740 607683990 /nfs/dbraw/zinc/68/39/90/607683990.db2.gz HGQWHMGNKMXZLT-LURJTMIESA-N -1 3 369.187 3.132 20 0 FGADHM O=[S@](Cc1ccc(-c2nnn[n-]2)cc1)[C@@H]1CCc2c1cccc2Cl ZINC000826496471 607689706 /nfs/dbraw/zinc/68/97/06/607689706.db2.gz XEXBMZXHQODCGT-VOIUYBSRSA-N -1 3 358.854 3.456 20 0 FGADHM O=[S@](Cc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCc2c1cccc2Cl ZINC000826496471 607689708 /nfs/dbraw/zinc/68/97/08/607689708.db2.gz XEXBMZXHQODCGT-VOIUYBSRSA-N -1 3 358.854 3.456 20 0 FGADHM CC(C)OC[C@@H](C(=O)[O-])N(C)Cc1cc(Cl)ccc1OC(F)F ZINC000827022669 604403954 /nfs/dbraw/zinc/40/39/54/604403954.db2.gz YBOIIYOFUBUOQF-LBPRGKRZSA-N -1 3 351.777 3.251 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000826246360 607694556 /nfs/dbraw/zinc/69/45/56/607694556.db2.gz BVRXQLZYHDFGTH-ZDUSSCGKSA-N -1 3 374.404 3.321 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000826246360 607694558 /nfs/dbraw/zinc/69/45/58/607694558.db2.gz BVRXQLZYHDFGTH-ZDUSSCGKSA-N -1 3 374.404 3.321 20 0 FGADHM CC1CCN([C@H](CNC(=O)N2CCC[C@@H]2CC(=O)[O-])c2ccccc2)CC1 ZINC000828285314 604498038 /nfs/dbraw/zinc/49/80/38/604498038.db2.gz MDBFLDFZJRHBEA-RTBURBONSA-N -1 3 373.497 3.108 20 0 FGADHM O=C([O-])c1csc(NC(=O)NC[C@@H]2CCCN2Cc2ccccc2)c1 ZINC000833141601 604519127 /nfs/dbraw/zinc/51/91/27/604519127.db2.gz WRZWMQGGNZRQRG-HNNXBMFYSA-N -1 3 359.451 3.232 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(Cc1ccccc1)CC(F)F ZINC000826244066 607698360 /nfs/dbraw/zinc/69/83/60/607698360.db2.gz GBCUQOLWQVXXNJ-UHFFFAOYSA-N -1 3 357.364 3.083 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(Cc1ccccc1)CC(F)F ZINC000826244066 607698361 /nfs/dbraw/zinc/69/83/61/607698361.db2.gz GBCUQOLWQVXXNJ-UHFFFAOYSA-N -1 3 357.364 3.083 20 0 FGADHM COc1cccc(CN(CC(=O)[O-])Cc2ccccc2)c1OC(F)F ZINC000833735852 604561165 /nfs/dbraw/zinc/56/11/65/604561165.db2.gz ZLDRRQNWWPSTSR-UHFFFAOYSA-N -1 3 351.349 3.383 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCc2c(F)cc(F)cc2[C@H]1C ZINC000826245783 607706104 /nfs/dbraw/zinc/70/61/04/607706104.db2.gz IFIDVDRGJYBVBQ-LLVKDONJSA-N -1 3 369.375 3.213 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCc2c(F)cc(F)cc2[C@H]1C ZINC000826245783 607706105 /nfs/dbraw/zinc/70/61/05/607706105.db2.gz IFIDVDRGJYBVBQ-LLVKDONJSA-N -1 3 369.375 3.213 20 0 FGADHM CCO[C@@H]1C[C@@H](N(C)Cc2c(C)nn(CCC(=O)[O-])c2C)C12CCCC2 ZINC000833660021 604661574 /nfs/dbraw/zinc/66/15/74/604661574.db2.gz LLNMXTJRPHTSBW-QZTJIDSGSA-N -1 3 363.502 3.144 20 0 FGADHM C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)CCc2ccccc2C(=O)[O-])C1 ZINC000833547921 604719720 /nfs/dbraw/zinc/71/97/20/604719720.db2.gz GTHVWDAASCJYBR-LPHOPBHVSA-N -1 3 366.461 3.269 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccc(SC(F)F)nc1 ZINC000826250163 607711443 /nfs/dbraw/zinc/71/14/43/607711443.db2.gz NPVLNLMCUCZSSJ-UHFFFAOYSA-N -1 3 362.365 3.137 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccc(SC(F)F)nc1 ZINC000826250163 607711445 /nfs/dbraw/zinc/71/14/45/607711445.db2.gz NPVLNLMCUCZSSJ-UHFFFAOYSA-N -1 3 362.365 3.137 20 0 FGADHM Cc1c(NC(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)cccc1C(=O)[O-] ZINC000833742309 604794740 /nfs/dbraw/zinc/79/47/40/604794740.db2.gz QIVZSZFBOLQVIB-MSOLQXFVSA-N -1 3 353.422 3.260 20 0 FGADHM CC(C)(C)OC(=O)Nc1cccc(CN2CCSC[C@@H]2CC(=O)[O-])c1 ZINC000833444566 604920842 /nfs/dbraw/zinc/92/08/42/604920842.db2.gz FWOHBMGHEZUTIW-HNNXBMFYSA-N -1 3 366.483 3.426 20 0 FGADHM COc1ccc(C)cc1NC(=O)[C@H](C)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000833731241 604930474 /nfs/dbraw/zinc/93/04/74/604930474.db2.gz XLEWKJYBWXXMFR-GJZGRUSLSA-N -1 3 362.470 3.153 20 0 FGADHM Cc1c([C@H](C)N[C@@H](C)[C@@H]2CCCN(C(=O)[O-])C2)nnn1-c1ccccc1 ZINC000829859667 604939557 /nfs/dbraw/zinc/93/95/57/604939557.db2.gz PQWYDXCNAMPCNM-OFQRWUPVSA-N -1 3 357.458 3.005 20 0 FGADHM C[C@H](C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1)N1[C@H](C)CC[C@@H]1C ZINC000828214816 604941944 /nfs/dbraw/zinc/94/19/44/604941944.db2.gz UCQXYFCBFSWZDT-GRYCIOLGSA-N -1 3 354.834 3.003 20 0 FGADHM CC(C)[C@@H](C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1)N1CCCCC1 ZINC000826676843 604959953 /nfs/dbraw/zinc/95/99/53/604959953.db2.gz LEHHSBXDZQVOIH-KRWDZBQOSA-N -1 3 368.861 3.252 20 0 FGADHM CC(C)(C)OC(=O)N1CC[C@H](N(Cc2ccc(C(=O)[O-])s2)C2CC2)C1 ZINC000833436778 604971832 /nfs/dbraw/zinc/97/18/32/604971832.db2.gz MTOHJCMUCWJNDH-ZDUSSCGKSA-N -1 3 366.483 3.420 20 0 FGADHM CCSc1ccc(CC(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000825674124 607727701 /nfs/dbraw/zinc/72/77/01/607727701.db2.gz IGIOOPKNVVOTED-UHFFFAOYSA-N -1 3 372.425 3.404 20 0 FGADHM CCSc1ccc(CC(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000825674124 607727703 /nfs/dbraw/zinc/72/77/03/607727703.db2.gz IGIOOPKNVVOTED-UHFFFAOYSA-N -1 3 372.425 3.404 20 0 FGADHM C/C(=C/CN(Cc1cc(C)nc(N2CCCCC2)n1)CC(C)C)C(=O)[O-] ZINC000833385183 605051816 /nfs/dbraw/zinc/05/18/16/605051816.db2.gz UGGGNAMEQJPQBT-PXNMLYILSA-N -1 3 360.502 3.264 20 0 FGADHM CC1(C)CC[C@H](C(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)C1 ZINC000833558185 605082802 /nfs/dbraw/zinc/08/28/02/605082802.db2.gz UJNWSTXODHEGRD-LAUBAEHRSA-N -1 3 358.482 3.048 20 0 FGADHM C[C@H](C[C@@H](O)c1cccs1)Nc1nc2ccccc2cc1-c1nnn[n-]1 ZINC000824394894 607733618 /nfs/dbraw/zinc/73/36/18/607733618.db2.gz ZRMMVHMTMPXLOH-IAQYHMDHSA-N -1 3 366.450 3.401 20 0 FGADHM C[C@H](C[C@@H](O)c1cccs1)Nc1nc2ccccc2cc1-c1nn[n-]n1 ZINC000824394894 607733619 /nfs/dbraw/zinc/73/36/19/607733619.db2.gz ZRMMVHMTMPXLOH-IAQYHMDHSA-N -1 3 366.450 3.401 20 0 FGADHM C[C@@H](Oc1ccc(CNC(C)(C)C(=O)Nc2ccccc2)cc1)C(=O)[O-] ZINC000833540571 605093950 /nfs/dbraw/zinc/09/39/50/605093950.db2.gz NANIPZRBIZDICI-CQSZACIVSA-N -1 3 356.422 3.045 20 0 FGADHM O[C@@H](c1ccccc1)C1(CNc2cc(Cl)ccc2-c2nnn[n-]2)CC1 ZINC000826505442 607735546 /nfs/dbraw/zinc/73/55/46/607735546.db2.gz VUFROUHNSKUUEO-INIZCTEOSA-N -1 3 355.829 3.446 20 0 FGADHM O[C@@H](c1ccccc1)C1(CNc2cc(Cl)ccc2-c2nn[n-]n2)CC1 ZINC000826505442 607735547 /nfs/dbraw/zinc/73/55/47/607735547.db2.gz VUFROUHNSKUUEO-INIZCTEOSA-N -1 3 355.829 3.446 20 0 FGADHM CC(C)(C(=O)[O-])[C@H](NCC(=O)Nc1cc(F)cc(F)c1)c1ccccc1 ZINC000833411466 605176656 /nfs/dbraw/zinc/17/66/56/605176656.db2.gz CANRZWBBWZUTDC-QGZVFWFLSA-N -1 3 362.376 3.345 20 0 FGADHM CC1CCC(N(C)C(=O)CN[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])CC1 ZINC000833605258 605183772 /nfs/dbraw/zinc/18/37/72/605183772.db2.gz YIJIEMIYSKVIDV-KVWWFHCMSA-N -1 3 360.498 3.465 20 0 FGADHM CC(C)C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1ccc(Cl)cc1 ZINC000824236463 607741771 /nfs/dbraw/zinc/74/17/71/607741771.db2.gz NYZCVCNYTURZNS-OAHLLOKOSA-N -1 3 358.833 3.365 20 0 FGADHM CC(C)C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1ccc(Cl)cc1 ZINC000824236463 607741772 /nfs/dbraw/zinc/74/17/72/607741772.db2.gz NYZCVCNYTURZNS-OAHLLOKOSA-N -1 3 358.833 3.365 20 0 FGADHM CC(C)(CC(=O)[O-])CC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000833455388 605259236 /nfs/dbraw/zinc/25/92/36/605259236.db2.gz BWGNRGVEWZZXQS-UHFFFAOYSA-N -1 3 364.511 3.107 20 0 FGADHM CC(C)C(=O)NC1CCN([C@H](C(=O)[O-])c2ccccc2C(F)(F)F)CC1 ZINC000833462631 605262916 /nfs/dbraw/zinc/26/29/16/605262916.db2.gz FSADXEINLSNWPR-HNNXBMFYSA-N -1 3 372.387 3.068 20 0 FGADHM CC(C)(C)OC(=O)[C@@H]1CCN([C@H](C(=O)[O-])c2ccccc2C(F)(F)F)C1 ZINC000833432366 605265940 /nfs/dbraw/zinc/26/59/40/605265940.db2.gz MDEYKHBIHPJEBC-RISCZKNCSA-N -1 3 373.371 3.495 20 0 FGADHM O=C(c1ccc(-c2nnn[n-]2)[nH]1)N1CCc2cc(-c3cccc(F)c3)ccc21 ZINC000826471963 607745344 /nfs/dbraw/zinc/74/53/44/607745344.db2.gz SLUVDMXMPPQKCL-UHFFFAOYSA-N -1 3 374.379 3.204 20 0 FGADHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1CCc2cc(-c3cccc(F)c3)ccc21 ZINC000826471963 607745345 /nfs/dbraw/zinc/74/53/45/607745345.db2.gz SLUVDMXMPPQKCL-UHFFFAOYSA-N -1 3 374.379 3.204 20 0 FGADHM Cc1cc(C(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)ccc1NC(=O)[O-] ZINC000829940745 605329497 /nfs/dbraw/zinc/32/94/97/605329497.db2.gz PDGOJTHTSVZMAL-MAUKXSAKSA-N -1 3 367.449 3.478 20 0 FGADHM C[C@@H]1CN(C(C)(C)CN[C@@H](C(=O)[O-])c2c(F)cccc2Cl)C[C@H](C)O1 ZINC000833620087 605356229 /nfs/dbraw/zinc/35/62/29/605356229.db2.gz CJAWSDFVXZVSKZ-BFQNTYOBSA-N -1 3 372.868 3.082 20 0 FGADHM O=C([O-])N[C@@H]1CCC[C@H]2CN(Cc3coc(-c4cccc(F)c4)n3)C[C@H]21 ZINC000834184732 605448834 /nfs/dbraw/zinc/44/88/34/605448834.db2.gz RKVBFAAONUIYGR-IAOVAPTHSA-N -1 3 359.401 3.349 20 0 FGADHM O=C(c1ccc(-c2nnn[n-]2)[nH]1)N1CCC[C@H](CCCc2ccccc2)C1 ZINC000826471082 607757191 /nfs/dbraw/zinc/75/71/91/607757191.db2.gz NBABXMZZJJMUMX-INIZCTEOSA-N -1 3 364.453 3.070 20 0 FGADHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1CCC[C@H](CCCc2ccccc2)C1 ZINC000826471082 607757192 /nfs/dbraw/zinc/75/71/92/607757192.db2.gz NBABXMZZJJMUMX-INIZCTEOSA-N -1 3 364.453 3.070 20 0 FGADHM O=C([O-])N1CCC(N[C@H]2CCc3c2c(Br)ccc3F)CC1 ZINC000834084971 605577816 /nfs/dbraw/zinc/57/78/16/605577816.db2.gz PPAVVRJAEFCMMV-ZDUSSCGKSA-N -1 3 357.223 3.308 20 0 FGADHM CC(C)(C)SCC(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000824123288 607770143 /nfs/dbraw/zinc/77/01/43/607770143.db2.gz BYGFGUOZBYGHNM-UHFFFAOYSA-N -1 3 374.495 3.460 20 0 FGADHM CC(C)(C)SCC(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000824123288 607770144 /nfs/dbraw/zinc/77/01/44/607770144.db2.gz BYGFGUOZBYGHNM-UHFFFAOYSA-N -1 3 374.495 3.460 20 0 FGADHM O=C(Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)c1ccc(Cl)o1 ZINC000826459679 607771593 /nfs/dbraw/zinc/77/15/93/607771593.db2.gz UMOKBPLRZZJNCG-UHFFFAOYSA-N -1 3 372.797 3.489 20 0 FGADHM O=C(Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)c1ccc(Cl)o1 ZINC000826459679 607771594 /nfs/dbraw/zinc/77/15/94/607771594.db2.gz UMOKBPLRZZJNCG-UHFFFAOYSA-N -1 3 372.797 3.489 20 0 FGADHM C[C@H]1CC[C@H](NC(=O)COc2ccc(-c3nn[n-]n3)cc2)c2ccccc21 ZINC000824919542 607771887 /nfs/dbraw/zinc/77/18/87/607771887.db2.gz WGSPXCDFEGFLQV-UGSOOPFHSA-N -1 3 363.421 3.000 20 0 FGADHM Cn1cc(CN2CCC(N(CC3CC3)C(=O)[O-])CC2)c(-c2ccccc2)n1 ZINC000833949210 605994623 /nfs/dbraw/zinc/99/46/23/605994623.db2.gz OBVARLRSILZZNN-UHFFFAOYSA-N -1 3 368.481 3.442 20 0 FGADHM O=Cc1ccc(C(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)[nH]1 ZINC000823556993 606018806 /nfs/dbraw/zinc/01/88/06/606018806.db2.gz DIFCYPWGUFKQFG-UHFFFAOYSA-N -1 3 374.360 3.052 20 0 FGADHM O=C(Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)C1=CCCCO1 ZINC000823367665 606019773 /nfs/dbraw/zinc/01/97/73/606019773.db2.gz MVKXWCADACGCOZ-UHFFFAOYSA-N -1 3 363.377 3.292 20 0 FGADHM O=C(Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)C1=CCCCO1 ZINC000823367665 606019776 /nfs/dbraw/zinc/01/97/76/606019776.db2.gz MVKXWCADACGCOZ-UHFFFAOYSA-N -1 3 363.377 3.292 20 0 FGADHM C[C@H](NC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc(-c2ccncc2)cc1 ZINC000820397996 606028932 /nfs/dbraw/zinc/02/89/32/606028932.db2.gz YPOMUXULDYNANL-AWEZNQCLSA-N -1 3 370.416 3.420 20 0 FGADHM C[C@H](NC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc(-c2ccncc2)cc1 ZINC000820397996 606028933 /nfs/dbraw/zinc/02/89/33/606028933.db2.gz YPOMUXULDYNANL-AWEZNQCLSA-N -1 3 370.416 3.420 20 0 FGADHM c1cc(-c2ccc(CNc3ccc(-c4nnn[n-]4)nc3)cc2)cc2c1OCC2 ZINC000823737926 606066257 /nfs/dbraw/zinc/06/62/57/606066257.db2.gz LFSORMZLEFMTJK-UHFFFAOYSA-N -1 3 370.416 3.476 20 0 FGADHM c1cc(-c2ccc(CNc3ccc(-c4nn[n-]n4)nc3)cc2)cc2c1OCC2 ZINC000823737926 606066263 /nfs/dbraw/zinc/06/62/63/606066263.db2.gz LFSORMZLEFMTJK-UHFFFAOYSA-N -1 3 370.416 3.476 20 0 FGADHM COc1ccccc1CCN(C)c1nc2ccccc2cc1-c1nnn[n-]1 ZINC000821889838 606075694 /nfs/dbraw/zinc/07/56/94/606075694.db2.gz GREUOUCVYFMFJK-UHFFFAOYSA-N -1 3 360.421 3.102 20 0 FGADHM COc1ccccc1CCN(C)c1nc2ccccc2cc1-c1nn[n-]n1 ZINC000821889838 606075698 /nfs/dbraw/zinc/07/56/98/606075698.db2.gz GREUOUCVYFMFJK-UHFFFAOYSA-N -1 3 360.421 3.102 20 0 FGADHM Cc1cc(C)n([C@@H]2CCCN(c3nc4ccccc4cc3-c3nnn[n-]3)C2)n1 ZINC000822197408 606078981 /nfs/dbraw/zinc/07/89/81/606078981.db2.gz ACDBIUJKYXNVMS-MRXNPFEDSA-N -1 3 374.452 3.070 20 0 FGADHM Cc1cc(C)n([C@@H]2CCCN(c3nc4ccccc4cc3-c3nn[n-]n3)C2)n1 ZINC000822197408 606078986 /nfs/dbraw/zinc/07/89/86/606078986.db2.gz ACDBIUJKYXNVMS-MRXNPFEDSA-N -1 3 374.452 3.070 20 0 FGADHM COc1ccccc1[C@H](CC(C)C)NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821882670 606104807 /nfs/dbraw/zinc/10/48/07/606104807.db2.gz HUVSJQDJCVSETJ-KRWDZBQOSA-N -1 3 365.437 3.393 20 0 FGADHM COc1ccccc1[C@H](CC(C)C)NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821882670 606104811 /nfs/dbraw/zinc/10/48/11/606104811.db2.gz HUVSJQDJCVSETJ-KRWDZBQOSA-N -1 3 365.437 3.393 20 0 FGADHM CCc1ccc(C(C)(C)C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC)cc1 ZINC000821476631 606126874 /nfs/dbraw/zinc/12/68/74/606126874.db2.gz QJIQAGQWVUCBLE-UHFFFAOYSA-N -1 3 365.437 3.354 20 0 FGADHM CCc1ccc(C(C)(C)C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC)cc1 ZINC000821476631 606126875 /nfs/dbraw/zinc/12/68/75/606126875.db2.gz QJIQAGQWVUCBLE-UHFFFAOYSA-N -1 3 365.437 3.354 20 0 FGADHM FC(F)(F)c1cc(N2CCC[C@@]3(CCCOC3)C2)ccc1-c1nnn[n-]1 ZINC000822724013 606142369 /nfs/dbraw/zinc/14/23/69/606142369.db2.gz WLHGMNFLTQXPRE-MRXNPFEDSA-N -1 3 367.375 3.283 20 0 FGADHM FC(F)(F)c1cc(N2CCC[C@@]3(CCCOC3)C2)ccc1-c1nn[n-]n1 ZINC000822724013 606142371 /nfs/dbraw/zinc/14/23/71/606142371.db2.gz WLHGMNFLTQXPRE-MRXNPFEDSA-N -1 3 367.375 3.283 20 0 FGADHM O=C(C/C=C/c1cccc(F)c1)OCc1ccc(-c2nnn[n-]2)cc1F ZINC000822945560 606149423 /nfs/dbraw/zinc/14/94/23/606149423.db2.gz JYHFOJRUBOVTIY-DUXPYHPUSA-N -1 3 356.332 3.292 20 0 FGADHM O=C(C/C=C/c1cccc(F)c1)OCc1ccc(-c2nn[n-]n2)cc1F ZINC000822945560 606149425 /nfs/dbraw/zinc/14/94/25/606149425.db2.gz JYHFOJRUBOVTIY-DUXPYHPUSA-N -1 3 356.332 3.292 20 0 FGADHM CCS[C@H]1CCCC[C@H]1NC(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000821456178 606152018 /nfs/dbraw/zinc/15/20/18/606152018.db2.gz NZGACGXHLDOHEX-HIFRSBDPSA-N -1 3 360.487 3.361 20 0 FGADHM CCS[C@H]1CCCC[C@H]1NC(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000821456178 606152019 /nfs/dbraw/zinc/15/20/19/606152019.db2.gz NZGACGXHLDOHEX-HIFRSBDPSA-N -1 3 360.487 3.361 20 0 FGADHM O=C(CNc1ccc(Cl)c(-c2nnn[n-]2)c1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000823015040 606156556 /nfs/dbraw/zinc/15/65/56/606156556.db2.gz ZSVJLALQXVMUAD-LRDDRELGSA-N -1 3 374.876 3.113 20 0 FGADHM O=C(CNc1ccc(Cl)c(-c2nn[n-]n2)c1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000823015040 606156557 /nfs/dbraw/zinc/15/65/57/606156557.db2.gz ZSVJLALQXVMUAD-LRDDRELGSA-N -1 3 374.876 3.113 20 0 FGADHM C[C@H](OC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1)[C@@H]1CCOC1 ZINC000820512046 606181564 /nfs/dbraw/zinc/18/15/64/606181564.db2.gz GAXMBWHFCPXENC-UONOGXRCSA-N -1 3 364.405 3.116 20 0 FGADHM C[C@H](OC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1)[C@@H]1CCOC1 ZINC000820512046 606181566 /nfs/dbraw/zinc/18/15/66/606181566.db2.gz GAXMBWHFCPXENC-UONOGXRCSA-N -1 3 364.405 3.116 20 0 FGADHM Cc1ccc(CCCC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)s1 ZINC000822235926 606185701 /nfs/dbraw/zinc/18/57/01/606185701.db2.gz BZVKKHBTHMZANY-UHFFFAOYSA-N -1 3 359.430 3.015 20 0 FGADHM Cc1ccc(CCCC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)s1 ZINC000822235926 606185704 /nfs/dbraw/zinc/18/57/04/606185704.db2.gz BZVKKHBTHMZANY-UHFFFAOYSA-N -1 3 359.430 3.015 20 0 FGADHM C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820727316 606187792 /nfs/dbraw/zinc/18/77/92/606187792.db2.gz KSXRQDHJGHUZDW-APPDUMDISA-N -1 3 351.385 3.059 20 0 FGADHM C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820727316 606187794 /nfs/dbraw/zinc/18/77/94/606187794.db2.gz KSXRQDHJGHUZDW-APPDUMDISA-N -1 3 351.385 3.059 20 0 FGADHM Cc1cncc(NC(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)c1 ZINC000822400166 606190478 /nfs/dbraw/zinc/19/04/78/606190478.db2.gz YEKYDSQDROWGNA-UHFFFAOYSA-N -1 3 373.376 3.010 20 0 FGADHM Cc1cncc(NC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)c1 ZINC000822400166 606190481 /nfs/dbraw/zinc/19/04/81/606190481.db2.gz YEKYDSQDROWGNA-UHFFFAOYSA-N -1 3 373.376 3.010 20 0 FGADHM C[C@H]1Sc2ccccc2N(C(=O)Cc2cccc(-c3nnn[n-]3)c2)[C@@H]1C ZINC000820819819 606190856 /nfs/dbraw/zinc/19/08/56/606190856.db2.gz LFLGPZWYMXUCNQ-CHWSQXEVSA-N -1 3 365.462 3.325 20 0 FGADHM C[C@H]1Sc2ccccc2N(C(=O)Cc2cccc(-c3nn[n-]n3)c2)[C@@H]1C ZINC000820819819 606190857 /nfs/dbraw/zinc/19/08/57/606190857.db2.gz LFLGPZWYMXUCNQ-CHWSQXEVSA-N -1 3 365.462 3.325 20 0 FGADHM Cc1cc(NCc2cc(-c3nnn[n-]3)cs2)n(Cc2ccccc2)n1 ZINC000822209430 606216002 /nfs/dbraw/zinc/21/60/02/606216002.db2.gz ITQRLNHIFQYIMH-UHFFFAOYSA-N -1 3 351.439 3.094 20 0 FGADHM Cc1cc(NCc2cc(-c3nn[n-]n3)cs2)n(Cc2ccccc2)n1 ZINC000822209430 606216003 /nfs/dbraw/zinc/21/60/03/606216003.db2.gz ITQRLNHIFQYIMH-UHFFFAOYSA-N -1 3 351.439 3.094 20 0 FGADHM Cc1c(Cl)cccc1N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000822035299 606242291 /nfs/dbraw/zinc/24/22/91/606242291.db2.gz RYHZOXXCRGQYKH-MRXNPFEDSA-N -1 3 368.828 3.046 20 0 FGADHM Cc1c(Cl)cccc1N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000822035299 606242292 /nfs/dbraw/zinc/24/22/92/606242292.db2.gz RYHZOXXCRGQYKH-MRXNPFEDSA-N -1 3 368.828 3.046 20 0 FGADHM CC(C)Sc1ccc([C@@H](C)NC(=O)c2cc(-c3nnn[n-]3)cn2C)cc1 ZINC000820184017 606246027 /nfs/dbraw/zinc/24/60/27/606246027.db2.gz SKDOBLMMXTWPGP-GFCCVEGCSA-N -1 3 370.482 3.197 20 0 FGADHM CC(C)Sc1ccc([C@@H](C)NC(=O)c2cc(-c3nn[n-]n3)cn2C)cc1 ZINC000820184017 606246029 /nfs/dbraw/zinc/24/60/29/606246029.db2.gz SKDOBLMMXTWPGP-GFCCVEGCSA-N -1 3 370.482 3.197 20 0 FGADHM Cn1cc(-c2nnn[n-]2)cc1-c1nc(-c2c(Cl)cccc2Cl)no1 ZINC000822622623 606251969 /nfs/dbraw/zinc/25/19/69/606251969.db2.gz GDKRULIDPCOMOU-UHFFFAOYSA-N -1 3 362.180 3.229 20 0 FGADHM Cn1cc(-c2nn[n-]n2)cc1-c1nc(-c2c(Cl)cccc2Cl)no1 ZINC000822622623 606251970 /nfs/dbraw/zinc/25/19/70/606251970.db2.gz GDKRULIDPCOMOU-UHFFFAOYSA-N -1 3 362.180 3.229 20 0 FGADHM C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000820561911 606253991 /nfs/dbraw/zinc/25/39/91/606253991.db2.gz BNSDCKILDPXAJA-VIFPVBQESA-N -1 3 364.331 3.047 20 0 FGADHM C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000820561911 606253992 /nfs/dbraw/zinc/25/39/92/606253992.db2.gz BNSDCKILDPXAJA-VIFPVBQESA-N -1 3 364.331 3.047 20 0 FGADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)OCCCc1cccc2ccccc21 ZINC000822659505 606255572 /nfs/dbraw/zinc/25/55/72/606255572.db2.gz NTPOAGUZDGNGER-UHFFFAOYSA-N -1 3 361.405 3.148 20 0 FGADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)OCCCc1cccc2ccccc21 ZINC000822659505 606255573 /nfs/dbraw/zinc/25/55/73/606255573.db2.gz NTPOAGUZDGNGER-UHFFFAOYSA-N -1 3 361.405 3.148 20 0 FGADHM C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000820562991 606259866 /nfs/dbraw/zinc/25/98/66/606259866.db2.gz KZDFJCDVVPJOPT-NWDGAFQWSA-N -1 3 372.860 3.123 20 0 FGADHM C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000820562991 606259867 /nfs/dbraw/zinc/25/98/67/606259867.db2.gz KZDFJCDVVPJOPT-NWDGAFQWSA-N -1 3 372.860 3.123 20 0 FGADHM COc1ccc2oc(C(=O)Nc3ccc(F)cc3-c3nnn[n-]3)c(C)c2c1 ZINC000821853868 606272921 /nfs/dbraw/zinc/27/29/21/606272921.db2.gz BVDLHBBQCPHOSV-UHFFFAOYSA-N -1 3 367.340 3.321 20 0 FGADHM COc1ccc2oc(C(=O)Nc3ccc(F)cc3-c3nn[n-]n3)c(C)c2c1 ZINC000821853868 606272923 /nfs/dbraw/zinc/27/29/23/606272923.db2.gz BVDLHBBQCPHOSV-UHFFFAOYSA-N -1 3 367.340 3.321 20 0 FGADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000823466720 606321166 /nfs/dbraw/zinc/32/11/66/606321166.db2.gz ORHHEQYSOOVNGZ-KRWDZBQOSA-N -1 3 361.409 3.044 20 0 FGADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000823466720 606321168 /nfs/dbraw/zinc/32/11/68/606321168.db2.gz ORHHEQYSOOVNGZ-KRWDZBQOSA-N -1 3 361.409 3.044 20 0 FGADHM O=C1[C@H](Sc2cccc(-c3nnn[n-]3)c2)CCN1c1ccc(Cl)cc1 ZINC000823512630 606326149 /nfs/dbraw/zinc/32/61/49/606326149.db2.gz PTTMZUGSEPSCNP-OAHLLOKOSA-N -1 3 371.853 3.418 20 0 FGADHM O=C1[C@H](Sc2cccc(-c3nn[n-]n3)c2)CCN1c1ccc(Cl)cc1 ZINC000823512630 606326151 /nfs/dbraw/zinc/32/61/51/606326151.db2.gz PTTMZUGSEPSCNP-OAHLLOKOSA-N -1 3 371.853 3.418 20 0 FGADHM CCC(CC)N(CC(C)C)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000820897405 606328966 /nfs/dbraw/zinc/32/89/66/606328966.db2.gz DCXDGBMNLPZLIQ-UHFFFAOYSA-N -1 3 362.453 3.362 20 0 FGADHM CCC(CC)N(CC(C)C)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000820897405 606328968 /nfs/dbraw/zinc/32/89/68/606328968.db2.gz DCXDGBMNLPZLIQ-UHFFFAOYSA-N -1 3 362.453 3.362 20 0 FGADHM C[C@H](OC(=O)c1cnn(Cc2ccccc2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820518800 606347954 /nfs/dbraw/zinc/34/79/54/606347954.db2.gz LBVSFOJFTFIRKH-AWEZNQCLSA-N -1 3 374.404 3.030 20 0 FGADHM C[C@H](OC(=O)c1cnn(Cc2ccccc2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820518800 606347955 /nfs/dbraw/zinc/34/79/55/606347955.db2.gz LBVSFOJFTFIRKH-AWEZNQCLSA-N -1 3 374.404 3.030 20 0 FGADHM CCS[C@@H]1CCC[C@@H](NC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000821455705 606349113 /nfs/dbraw/zinc/34/91/13/606349113.db2.gz LHTBTRRPKSSKKG-VXGBXAGGSA-N -1 3 364.450 3.192 20 0 FGADHM CCS[C@@H]1CCC[C@@H](NC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000821455705 606349114 /nfs/dbraw/zinc/34/91/14/606349114.db2.gz LHTBTRRPKSSKKG-VXGBXAGGSA-N -1 3 364.450 3.192 20 0 FGADHM COc1ccc(C=CC(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821786295 606349766 /nfs/dbraw/zinc/34/97/66/606349766.db2.gz CSHJMRNHJYTNNT-XLVZXTRVSA-N -1 3 350.378 3.193 20 0 FGADHM COc1ccc(C=CC(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821786295 606349768 /nfs/dbraw/zinc/34/97/68/606349768.db2.gz CSHJMRNHJYTNNT-XLVZXTRVSA-N -1 3 350.378 3.193 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)N1CCCc2sccc2C1 ZINC000823344000 606351925 /nfs/dbraw/zinc/35/19/25/606351925.db2.gz NMVXZLDWEXKQEB-UHFFFAOYSA-N -1 3 358.402 3.048 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)N1CCCc2sccc2C1 ZINC000823344000 606351927 /nfs/dbraw/zinc/35/19/27/606351927.db2.gz NMVXZLDWEXKQEB-UHFFFAOYSA-N -1 3 358.402 3.048 20 0 FGADHM C[C@@H](OC(=O)Cc1c[nH]c2ccc(F)cc12)c1ccc(-c2nnn[n-]2)cc1 ZINC000820495655 606355776 /nfs/dbraw/zinc/35/57/76/606355776.db2.gz IQQTWFCHBFTDON-LLVKDONJSA-N -1 3 365.368 3.334 20 0 FGADHM C[C@@H](OC(=O)Cc1c[nH]c2ccc(F)cc12)c1ccc(-c2nn[n-]n2)cc1 ZINC000820495655 606355779 /nfs/dbraw/zinc/35/57/79/606355779.db2.gz IQQTWFCHBFTDON-LLVKDONJSA-N -1 3 365.368 3.334 20 0 FGADHM C[C@H](CNC(=O)Nc1ccc(F)cc1-c1nnn[n-]1)Sc1ccccc1 ZINC000820269933 606355940 /nfs/dbraw/zinc/35/59/40/606355940.db2.gz PWBYKKPKRINREZ-LLVKDONJSA-N -1 3 372.429 3.308 20 0 FGADHM C[C@H](CNC(=O)Nc1ccc(F)cc1-c1nn[n-]n1)Sc1ccccc1 ZINC000820269933 606355942 /nfs/dbraw/zinc/35/59/42/606355942.db2.gz PWBYKKPKRINREZ-LLVKDONJSA-N -1 3 372.429 3.308 20 0 FGADHM CC(C)OCCC(=O)Oc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000820141884 606358873 /nfs/dbraw/zinc/35/88/73/606358873.db2.gz BTUKCXKCPJWVQT-UHFFFAOYSA-N -1 3 368.393 3.380 20 0 FGADHM CC(C)OCCC(=O)Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000820141884 606358874 /nfs/dbraw/zinc/35/88/74/606358874.db2.gz BTUKCXKCPJWVQT-UHFFFAOYSA-N -1 3 368.393 3.380 20 0 FGADHM CC[C@@H](c1ccncc1)N(CC)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820944115 606359101 /nfs/dbraw/zinc/35/91/01/606359101.db2.gz IGCDOIKOACEGIC-INIZCTEOSA-N -1 3 369.404 3.406 20 0 FGADHM CC[C@@H](c1ccncc1)N(CC)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820944115 606359103 /nfs/dbraw/zinc/35/91/03/606359103.db2.gz IGCDOIKOACEGIC-INIZCTEOSA-N -1 3 369.404 3.406 20 0 FGADHM CCOc1ccc(CSc2nc3c(c(C)c2-c2nnn[n-]2)CCC3)nc1 ZINC000821422070 606360945 /nfs/dbraw/zinc/36/09/45/606360945.db2.gz LPLCHZVNUARARB-UHFFFAOYSA-N -1 3 368.466 3.145 20 0 FGADHM CCOc1ccc(CSc2nc3c(c(C)c2-c2nn[n-]n2)CCC3)nc1 ZINC000821422070 606360946 /nfs/dbraw/zinc/36/09/46/606360946.db2.gz LPLCHZVNUARARB-UHFFFAOYSA-N -1 3 368.466 3.145 20 0 FGADHM COc1cccc(C(C)=CC(=O)OCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821859845 606391581 /nfs/dbraw/zinc/39/15/81/606391581.db2.gz UCOGMVNJHKZWFB-RAXLEYEMSA-N -1 3 350.378 3.022 20 0 FGADHM COc1cccc(C(C)=CC(=O)OCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821859845 606391583 /nfs/dbraw/zinc/39/15/83/606391583.db2.gz UCOGMVNJHKZWFB-RAXLEYEMSA-N -1 3 350.378 3.022 20 0 FGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)N1CC2(CCCC2)c2ccccc21 ZINC000823246574 606392091 /nfs/dbraw/zinc/39/20/91/606392091.db2.gz VGUWJKFEBRJMPC-UHFFFAOYSA-N -1 3 374.448 3.408 20 0 FGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)N1CC2(CCCC2)c2ccccc21 ZINC000823246574 606392093 /nfs/dbraw/zinc/39/20/93/606392093.db2.gz VGUWJKFEBRJMPC-UHFFFAOYSA-N -1 3 374.448 3.408 20 0 FGADHM CC(=O)c1ccc2cc(Oc3nnc(C)c(C)c3-c3nnn[n-]3)ccc2c1 ZINC000819834218 606402382 /nfs/dbraw/zinc/40/23/82/606402382.db2.gz OKZSLUYLHYCGGK-UHFFFAOYSA-N -1 3 360.377 3.422 20 0 FGADHM C[C@@H](Nc1cccc(F)c1-c1nnn[n-]1)[C@@H](O)c1c(F)cccc1Cl ZINC000820461071 606419060 /nfs/dbraw/zinc/41/90/60/606419060.db2.gz DVXRAGVYIJPDGU-ANRSDYALSA-N -1 3 365.771 3.332 20 0 FGADHM C[C@@H](Nc1cccc(F)c1-c1nn[n-]n1)[C@@H](O)c1c(F)cccc1Cl ZINC000820461071 606419062 /nfs/dbraw/zinc/41/90/62/606419062.db2.gz DVXRAGVYIJPDGU-ANRSDYALSA-N -1 3 365.771 3.332 20 0 FGADHM CC1(C)CN(C(=O)Cc2cccc(-c3nnn[n-]3)c2)c2cccc(Cl)c21 ZINC000820601111 606440101 /nfs/dbraw/zinc/44/01/01/606440101.db2.gz CAAJTPKTPPNIQS-UHFFFAOYSA-N -1 3 367.840 3.387 20 0 FGADHM CC1(C)CN(C(=O)Cc2cccc(-c3nn[n-]n3)c2)c2cccc(Cl)c21 ZINC000820601111 606440103 /nfs/dbraw/zinc/44/01/03/606440103.db2.gz CAAJTPKTPPNIQS-UHFFFAOYSA-N -1 3 367.840 3.387 20 0 FGADHM COc1ccc(OC(C)C)c(NCc2cc(-c3nnn[n-]3)ccc2F)c1 ZINC000821839821 606458807 /nfs/dbraw/zinc/45/88/07/606458807.db2.gz YYSLQXBNEKRVLA-UHFFFAOYSA-N -1 3 357.389 3.414 20 0 FGADHM COc1ccc(OC(C)C)c(NCc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC000821839821 606458809 /nfs/dbraw/zinc/45/88/09/606458809.db2.gz YYSLQXBNEKRVLA-UHFFFAOYSA-N -1 3 357.389 3.414 20 0 FGADHM COc1ccc2cc(COC(=O)c3cc(-c4nnn[n-]4)cs3)ccc2c1 ZINC000821854172 606463244 /nfs/dbraw/zinc/46/32/44/606463244.db2.gz HGLPTTCVOBWNHS-UHFFFAOYSA-N -1 3 366.402 3.447 20 0 FGADHM COc1ccc2cc(COC(=O)c3cc(-c4nn[n-]n4)cs3)ccc2c1 ZINC000821854172 606463246 /nfs/dbraw/zinc/46/32/46/606463246.db2.gz HGLPTTCVOBWNHS-UHFFFAOYSA-N -1 3 366.402 3.447 20 0 FGADHM COc1cc(F)c([C@@H](C)OC(=O)c2cc(-c3nnn[n-]3)cs2)c(F)c1 ZINC000821719895 606470860 /nfs/dbraw/zinc/47/08/60/606470860.db2.gz JDIRDRGHHWCPKA-SSDOTTSWSA-N -1 3 366.349 3.133 20 0 FGADHM COc1cc(F)c([C@@H](C)OC(=O)c2cc(-c3nn[n-]n3)cs2)c(F)c1 ZINC000821719895 606470862 /nfs/dbraw/zinc/47/08/62/606470862.db2.gz JDIRDRGHHWCPKA-SSDOTTSWSA-N -1 3 366.349 3.133 20 0 FGADHM O=C(Oc1ccc(-c2cscn2)cc1)c1cc(-c2nnn[n-]2)cs1 ZINC000823443359 606471389 /nfs/dbraw/zinc/47/13/89/606471389.db2.gz AGGZYDKURJBWMB-UHFFFAOYSA-N -1 3 355.404 3.271 20 0 FGADHM O=C(Oc1ccc(-c2cscn2)cc1)c1cc(-c2nn[n-]n2)cs1 ZINC000823443359 606471391 /nfs/dbraw/zinc/47/13/91/606471391.db2.gz AGGZYDKURJBWMB-UHFFFAOYSA-N -1 3 355.404 3.271 20 0 FGADHM CC(C)[C@H]1OCC[C@H]1CNc1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21 ZINC000820043920 606473172 /nfs/dbraw/zinc/47/31/72/606473172.db2.gz CONZPQUEMJPUGK-DYZYQPBXSA-N -1 3 374.395 3.166 20 0 FGADHM CC(C)[C@H]1OCC[C@H]1CNc1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21 ZINC000820043920 606473174 /nfs/dbraw/zinc/47/31/74/606473174.db2.gz CONZPQUEMJPUGK-DYZYQPBXSA-N -1 3 374.395 3.166 20 0 FGADHM COc1ccc(C(C)(C)C)cc1NC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821772656 606489101 /nfs/dbraw/zinc/48/91/01/606489101.db2.gz KDJVTUDVPBUGEV-UHFFFAOYSA-N -1 3 365.437 3.354 20 0 FGADHM COc1ccc(C(C)(C)C)cc1NC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821772656 606489102 /nfs/dbraw/zinc/48/91/02/606489102.db2.gz KDJVTUDVPBUGEV-UHFFFAOYSA-N -1 3 365.437 3.354 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)OCc1ccc(Cl)c(Cl)c1 ZINC000823111186 606491170 /nfs/dbraw/zinc/49/11/70/606491170.db2.gz FKNCTVICRQFLAQ-UHFFFAOYSA-N -1 3 363.204 3.459 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)OCc1ccc(Cl)c(Cl)c1 ZINC000823111186 606491172 /nfs/dbraw/zinc/49/11/72/606491172.db2.gz FKNCTVICRQFLAQ-UHFFFAOYSA-N -1 3 363.204 3.459 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)NCC1(c2ccccc2)CCCC1 ZINC000823093420 606499092 /nfs/dbraw/zinc/49/90/92/606499092.db2.gz XPAXIFHXQBFORW-UHFFFAOYSA-N -1 3 361.449 3.037 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)NCC1(c2ccccc2)CCCC1 ZINC000823093420 606499094 /nfs/dbraw/zinc/49/90/94/606499094.db2.gz XPAXIFHXQBFORW-UHFFFAOYSA-N -1 3 361.449 3.037 20 0 FGADHM C[C@@H](c1cc2ccccc2o1)N(C)C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820554948 606501148 /nfs/dbraw/zinc/50/11/48/606501148.db2.gz CEPFJPZMBCMUOU-ZDUSSCGKSA-N -1 3 361.405 3.375 20 0 FGADHM C[C@@H](c1cc2ccccc2o1)N(C)C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820554948 606501149 /nfs/dbraw/zinc/50/11/49/606501149.db2.gz CEPFJPZMBCMUOU-ZDUSSCGKSA-N -1 3 361.405 3.375 20 0 FGADHM O=C(Nc1cnccc1Oc1ccccc1)c1cc(-c2nnn[n-]2)cs1 ZINC000823376206 606501441 /nfs/dbraw/zinc/50/14/41/606501441.db2.gz ZLOWLQDETIVZQO-UHFFFAOYSA-N -1 3 364.390 3.368 20 0 FGADHM O=C(Nc1cnccc1Oc1ccccc1)c1cc(-c2nn[n-]n2)cs1 ZINC000823376206 606501442 /nfs/dbraw/zinc/50/14/42/606501442.db2.gz ZLOWLQDETIVZQO-UHFFFAOYSA-N -1 3 364.390 3.368 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N1CCC[C@H]1c1ccc(Cl)cc1 ZINC000823087267 606503936 /nfs/dbraw/zinc/50/39/36/606503936.db2.gz MOLZQHVNEURJTQ-KRWDZBQOSA-N -1 3 367.840 3.426 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N1CCC[C@H]1c1ccc(Cl)cc1 ZINC000823087267 606503938 /nfs/dbraw/zinc/50/39/38/606503938.db2.gz MOLZQHVNEURJTQ-KRWDZBQOSA-N -1 3 367.840 3.426 20 0 FGADHM COc1cccc(N(CC(C)C)C(=O)Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC000821872337 606507050 /nfs/dbraw/zinc/50/70/50/606507050.db2.gz KXFCSIKKLOSYBH-UHFFFAOYSA-N -1 3 365.437 3.107 20 0 FGADHM COc1cccc(N(CC(C)C)C(=O)Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC000821872337 606507052 /nfs/dbraw/zinc/50/70/52/606507052.db2.gz KXFCSIKKLOSYBH-UHFFFAOYSA-N -1 3 365.437 3.107 20 0 FGADHM COc1ccc(N(CC(C)C)C(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821827712 606507301 /nfs/dbraw/zinc/50/73/01/606507301.db2.gz JFOAULFKJRVHHO-UHFFFAOYSA-N -1 3 365.437 3.107 20 0 FGADHM COc1ccc(N(CC(C)C)C(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821827712 606507303 /nfs/dbraw/zinc/50/73/03/606507303.db2.gz JFOAULFKJRVHHO-UHFFFAOYSA-N -1 3 365.437 3.107 20 0 FGADHM O=C(Nc1ccc(N2CCCC2)c(Cl)c1)c1cc(-c2nnn[n-]2)cs1 ZINC000823347232 606510314 /nfs/dbraw/zinc/51/03/14/606510314.db2.gz USYZFVDJMDRZNP-UHFFFAOYSA-N -1 3 374.857 3.434 20 0 FGADHM O=C(Nc1ccc(N2CCCC2)c(Cl)c1)c1cc(-c2nn[n-]n2)cs1 ZINC000823347232 606510315 /nfs/dbraw/zinc/51/03/15/606510315.db2.gz USYZFVDJMDRZNP-UHFFFAOYSA-N -1 3 374.857 3.434 20 0 FGADHM O=C(CCC1CCC1)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(F)(F)F ZINC000822950240 606512311 /nfs/dbraw/zinc/51/23/11/606512311.db2.gz GOQLLJVTHYJDSH-UHFFFAOYSA-N -1 3 367.375 3.338 20 0 FGADHM O=C(CCC1CCC1)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(F)(F)F ZINC000822950240 606512313 /nfs/dbraw/zinc/51/23/13/606512313.db2.gz GOQLLJVTHYJDSH-UHFFFAOYSA-N -1 3 367.375 3.338 20 0 FGADHM C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820665047 606513566 /nfs/dbraw/zinc/51/35/66/606513566.db2.gz DIRUQIUXFKVFGJ-PWSUYJOCSA-N -1 3 357.414 3.086 20 0 FGADHM C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820665047 606513569 /nfs/dbraw/zinc/51/35/69/606513569.db2.gz DIRUQIUXFKVFGJ-PWSUYJOCSA-N -1 3 357.414 3.086 20 0 FGADHM C[C@H]1[C@H](Cc2ccccc2)CCN1C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820642702 606525143 /nfs/dbraw/zinc/52/51/43/606525143.db2.gz KZUCFKODIFRESV-JSGCOSHPSA-N -1 3 353.451 3.022 20 0 FGADHM C[C@H]1[C@H](Cc2ccccc2)CCN1C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820642702 606525144 /nfs/dbraw/zinc/52/51/44/606525144.db2.gz KZUCFKODIFRESV-JSGCOSHPSA-N -1 3 353.451 3.022 20 0 FGADHM Cc1ccc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(C)C)c(F)c1 ZINC000822226519 606531414 /nfs/dbraw/zinc/53/14/14/606531414.db2.gz WKRLTFPCHDOALY-UHFFFAOYSA-N -1 3 355.373 3.354 20 0 FGADHM Cc1ccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(C)C)c(F)c1 ZINC000822226519 606531416 /nfs/dbraw/zinc/53/14/16/606531416.db2.gz WKRLTFPCHDOALY-UHFFFAOYSA-N -1 3 355.373 3.354 20 0 FGADHM Cc1nc(-c2cccc(NC(=O)Cc3cccc(-c4nn[n-]n4)c3)c2)[nH]c1C ZINC000822420041 606533203 /nfs/dbraw/zinc/53/32/03/606533203.db2.gz YXMNVFZXBLQCFJ-UHFFFAOYSA-N -1 3 373.420 3.055 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N[C@@H](C1CCCC1)C(F)(F)F ZINC000822929373 606548789 /nfs/dbraw/zinc/54/87/89/606548789.db2.gz SYWKENPNKLMAOV-FEAKQIBJSA-N -1 3 365.359 3.117 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N[C@@H](C1CCCC1)C(F)(F)F ZINC000822929373 606548791 /nfs/dbraw/zinc/54/87/91/606548791.db2.gz SYWKENPNKLMAOV-FEAKQIBJSA-N -1 3 365.359 3.117 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N(CCC(F)(F)F)CC1CC1 ZINC000822928011 606549843 /nfs/dbraw/zinc/54/98/43/606549843.db2.gz CMIUWBWSNAOFLT-BQYQJAHWSA-N -1 3 365.359 3.071 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N(CCC(F)(F)F)CC1CC1 ZINC000822928011 606549844 /nfs/dbraw/zinc/54/98/44/606549844.db2.gz CMIUWBWSNAOFLT-BQYQJAHWSA-N -1 3 365.359 3.071 20 0 FGADHM C[C@H]1CCCN1C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000820710078 606573103 /nfs/dbraw/zinc/57/31/03/606573103.db2.gz NTQZGRISGUGAQK-LBPRGKRZSA-N -1 3 365.397 3.070 20 0 FGADHM Cc1cc(CCCC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)c(C)s1 ZINC000822199849 606604672 /nfs/dbraw/zinc/60/46/72/606604672.db2.gz JXJAEMVBSGAABW-UHFFFAOYSA-N -1 3 373.457 3.323 20 0 FGADHM Cc1cc(CCCC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)c(C)s1 ZINC000822199849 606604673 /nfs/dbraw/zinc/60/46/73/606604673.db2.gz JXJAEMVBSGAABW-UHFFFAOYSA-N -1 3 373.457 3.323 20 0 FGADHM Cc1cc(Oc2ncccc2-c2nnn[n-]2)ccc1NC(=O)C1CC(C)C1 ZINC000822212041 606619426 /nfs/dbraw/zinc/61/94/26/606619426.db2.gz ZVHWPYPSULACOI-UHFFFAOYSA-N -1 3 364.409 3.347 20 0 FGADHM Cc1ccc(/C=C/CC(=O)OCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000822233975 606622628 /nfs/dbraw/zinc/62/26/28/606622628.db2.gz ZBQITGAJZFHGAI-NSCUHMNNSA-N -1 3 352.369 3.461 20 0 FGADHM Cc1ccc(/C=C/CC(=O)OCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000822233975 606622629 /nfs/dbraw/zinc/62/26/29/606622629.db2.gz ZBQITGAJZFHGAI-NSCUHMNNSA-N -1 3 352.369 3.461 20 0 FGADHM C[C@H](C(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)s1 ZINC000819857269 606625813 /nfs/dbraw/zinc/62/58/13/606625813.db2.gz QIIISSHKLXXTSC-JTQLQIEISA-N -1 3 361.858 3.344 20 0 FGADHM C[C@H](C(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)s1 ZINC000819857269 606625815 /nfs/dbraw/zinc/62/58/15/606625815.db2.gz QIIISSHKLXXTSC-JTQLQIEISA-N -1 3 361.858 3.344 20 0 FGADHM CC(C)(C)c1nc(CSc2ccc(Cl)cc2-c2nnn[n-]2)no1 ZINC000819965613 606628613 /nfs/dbraw/zinc/62/86/13/606628613.db2.gz JWQGZXAFECSCHK-UHFFFAOYSA-N -1 3 350.835 3.493 20 0 FGADHM CC(C)(C)c1nc(CSc2ccc(Cl)cc2-c2nn[n-]n2)no1 ZINC000819965613 606628616 /nfs/dbraw/zinc/62/86/16/606628616.db2.gz JWQGZXAFECSCHK-UHFFFAOYSA-N -1 3 350.835 3.493 20 0 FGADHM CCc1nc(CNc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)no1 ZINC000821510319 606656493 /nfs/dbraw/zinc/65/64/93/606656493.db2.gz ZGMQXMDYNFQIGG-UHFFFAOYSA-N -1 3 363.381 3.217 20 0 FGADHM O[C@H]1CCCC[C@@H]1Oc1ccc(NCc2ccc(-c3nnn[n-]3)s2)cc1 ZINC000823706745 606657639 /nfs/dbraw/zinc/65/76/39/606657639.db2.gz OHIPXGWKHPILRF-HOTGVXAUSA-N -1 3 371.466 3.223 20 0 FGADHM O=C(c1ccc(-c2nnn[n-]2)cc1)N1CCCCC[C@@H]1[C@H]1CCCCC1=O ZINC000823526052 606659323 /nfs/dbraw/zinc/65/93/23/606659323.db2.gz YFOPHRJJOSBCSF-IAGOWNOFSA-N -1 3 367.453 3.011 20 0 FGADHM O=C(c1ccc(-c2nn[n-]n2)cc1)N1CCCCC[C@@H]1[C@H]1CCCCC1=O ZINC000823526052 606659324 /nfs/dbraw/zinc/65/93/24/606659324.db2.gz YFOPHRJJOSBCSF-IAGOWNOFSA-N -1 3 367.453 3.011 20 0 FGADHM CC(C)(C)c1csc(C[S@](=O)Cc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000819965452 606661723 /nfs/dbraw/zinc/66/17/23/606661723.db2.gz HJENKKXGKXUWCI-XMMPIXPASA-N -1 3 361.496 3.070 20 0 FGADHM CC(C)(C)c1csc(C[S@](=O)Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000819965452 606661724 /nfs/dbraw/zinc/66/17/24/606661724.db2.gz HJENKKXGKXUWCI-XMMPIXPASA-N -1 3 361.496 3.070 20 0 FGADHM C[C@@H](NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1ccccc1Cl ZINC000820385091 606661785 /nfs/dbraw/zinc/66/17/85/606661785.db2.gz PBABXSBUFCWKNA-MRVPVSSYSA-N -1 3 363.755 3.289 20 0 FGADHM C[C@@H](NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccccc1Cl ZINC000820385091 606661786 /nfs/dbraw/zinc/66/17/86/606661786.db2.gz PBABXSBUFCWKNA-MRVPVSSYSA-N -1 3 363.755 3.289 20 0 FGADHM COc1ccc(NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1Cl ZINC000821831528 606662007 /nfs/dbraw/zinc/66/20/07/606662007.db2.gz CLRSSVPBXAGUAN-UHFFFAOYSA-N -1 3 365.727 3.059 20 0 FGADHM COc1ccc(NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1Cl ZINC000821831528 606662008 /nfs/dbraw/zinc/66/20/08/606662008.db2.gz CLRSSVPBXAGUAN-UHFFFAOYSA-N -1 3 365.727 3.059 20 0 FGADHM O=C(Nc1ccccc1-c1nnn[n-]1)c1cc(F)cc(C(F)(F)F)c1 ZINC000823368010 606664061 /nfs/dbraw/zinc/66/40/61/606664061.db2.gz QXMHEXDXULTTLA-UHFFFAOYSA-N -1 3 351.263 3.277 20 0 FGADHM O=C(Nc1ccccc1-c1nn[n-]n1)c1cc(F)cc(C(F)(F)F)c1 ZINC000823368010 606664062 /nfs/dbraw/zinc/66/40/62/606664062.db2.gz QXMHEXDXULTTLA-UHFFFAOYSA-N -1 3 351.263 3.277 20 0 FGADHM C[C@H](CSc1ccc(F)cc1)C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000820292801 606666786 /nfs/dbraw/zinc/66/67/86/606666786.db2.gz HJOWVSNGBQGURJ-GFCCVEGCSA-N -1 3 371.441 3.050 20 0 FGADHM C[C@H](CSc1ccc(F)cc1)C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000820292801 606666787 /nfs/dbraw/zinc/66/67/87/606666787.db2.gz HJOWVSNGBQGURJ-GFCCVEGCSA-N -1 3 371.441 3.050 20 0 FGADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CCCc1ccc(F)c(F)c1 ZINC000821612000 606667893 /nfs/dbraw/zinc/66/78/93/606667893.db2.gz DMKXLNLQLDGNQF-UHFFFAOYSA-N -1 3 371.391 3.126 20 0 FGADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CCCc1ccc(F)c(F)c1 ZINC000821612000 606667894 /nfs/dbraw/zinc/66/78/94/606667894.db2.gz DMKXLNLQLDGNQF-UHFFFAOYSA-N -1 3 371.391 3.126 20 0 FGADHM CCN(C(=O)Cc1cccc(F)c1F)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821153872 606670399 /nfs/dbraw/zinc/67/03/99/606670399.db2.gz GDAQQQBFGDZNLM-GFCCVEGCSA-N -1 3 371.391 3.297 20 0 FGADHM CCN(C(=O)Cc1cccc(F)c1F)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821153872 606670400 /nfs/dbraw/zinc/67/04/00/606670400.db2.gz GDAQQQBFGDZNLM-GFCCVEGCSA-N -1 3 371.391 3.297 20 0 FGADHM Cc1ccc([C@@H](C)NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1F ZINC000822228819 606671337 /nfs/dbraw/zinc/67/13/37/606671337.db2.gz GGJUONSNTZRFLW-QWHCGFSZSA-N -1 3 368.416 3.436 20 0 FGADHM Cc1ccc([C@@H](C)NC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1F ZINC000822228819 606671338 /nfs/dbraw/zinc/67/13/38/606671338.db2.gz GGJUONSNTZRFLW-QWHCGFSZSA-N -1 3 368.416 3.436 20 0 FGADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)[C@@H]2C[C@@H]2Cc2ccccc2)s1 ZINC000821465831 606674244 /nfs/dbraw/zinc/67/42/44/606674244.db2.gz RBOOVEJVXUDZEV-GXTWGEPZSA-N -1 3 353.451 3.308 20 0 FGADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)[C@@H]2C[C@@H]2Cc2ccccc2)s1 ZINC000821465831 606674245 /nfs/dbraw/zinc/67/42/45/606674245.db2.gz RBOOVEJVXUDZEV-GXTWGEPZSA-N -1 3 353.451 3.308 20 0 FGADHM O=C(CCCc1ccc(F)c(F)c1)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000822958679 606686067 /nfs/dbraw/zinc/68/60/67/606686067.db2.gz ANOVGWMUVJIAAL-UHFFFAOYSA-N -1 3 361.327 3.245 20 0 FGADHM O=C(CCCc1ccc(F)c(F)c1)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000822958679 606686068 /nfs/dbraw/zinc/68/60/68/606686068.db2.gz ANOVGWMUVJIAAL-UHFFFAOYSA-N -1 3 361.327 3.245 20 0 FGADHM Fc1ccc([C@H]2CCN(C(=S)Nc3ccccc3-c3nnn[n-]3)C2)cc1 ZINC000822767087 606695171 /nfs/dbraw/zinc/69/51/71/606695171.db2.gz WJJYMIQKEXZWCX-ZDUSSCGKSA-N -1 3 368.441 3.192 20 0 FGADHM Fc1ccc([C@H]2CCN(C(=S)Nc3ccccc3-c3nn[n-]n3)C2)cc1 ZINC000822767087 606695172 /nfs/dbraw/zinc/69/51/72/606695172.db2.gz WJJYMIQKEXZWCX-ZDUSSCGKSA-N -1 3 368.441 3.192 20 0 FGADHM COC(=O)c1sccc1CN(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000821671110 606706127 /nfs/dbraw/zinc/70/61/27/606706127.db2.gz IIWZKLIYGORYIE-UHFFFAOYSA-N -1 3 371.466 3.125 20 0 FGADHM CSCc1cc(F)ccc1CNc1nc2c(cc1-c1nnn[n-]1)CCC2 ZINC000821971178 606725438 /nfs/dbraw/zinc/72/54/38/606725438.db2.gz YIQGSQBWYOFZEZ-UHFFFAOYSA-N -1 3 370.457 3.365 20 0 FGADHM CSCc1cc(F)ccc1CNc1nc2c(cc1-c1nn[n-]n1)CCC2 ZINC000821971178 606725439 /nfs/dbraw/zinc/72/54/39/606725439.db2.gz YIQGSQBWYOFZEZ-UHFFFAOYSA-N -1 3 370.457 3.365 20 0 FGADHM CC(C)Sc1ccccc1NC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000820183950 606744875 /nfs/dbraw/zinc/74/48/75/606744875.db2.gz OSHFVWCOPBAHCY-UHFFFAOYSA-N -1 3 369.450 3.385 20 0 FGADHM CC(C)Sc1ccccc1NC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000820183950 606744877 /nfs/dbraw/zinc/74/48/77/606744877.db2.gz OSHFVWCOPBAHCY-UHFFFAOYSA-N -1 3 369.450 3.385 20 0 FGADHM Cn1cc(CCC(=O)OCc2ccccc2-c2nnn[n-]2)c2ccccc21 ZINC000822681099 606748076 /nfs/dbraw/zinc/74/80/76/606748076.db2.gz SYQNVXSMLMGNMI-UHFFFAOYSA-N -1 3 361.405 3.034 20 0 FGADHM Cn1cc(CCC(=O)OCc2ccccc2-c2nn[n-]n2)c2ccccc21 ZINC000822681099 606748077 /nfs/dbraw/zinc/74/80/77/606748077.db2.gz SYQNVXSMLMGNMI-UHFFFAOYSA-N -1 3 361.405 3.034 20 0 FGADHM CCC(CC)(CC)C(=O)OCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000820881881 606765687 /nfs/dbraw/zinc/76/56/87/606765687.db2.gz DYGYBYYTGNJONF-UHFFFAOYSA-N -1 3 370.413 3.176 20 0 FGADHM CCC(CC)(CC)C(=O)OCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000820881881 606765688 /nfs/dbraw/zinc/76/56/88/606765688.db2.gz DYGYBYYTGNJONF-UHFFFAOYSA-N -1 3 370.413 3.176 20 0 FGADHM Cc1cc(Oc2cc(Cl)ccc2-c2nnn[n-]2)nc(-c2ccccn2)n1 ZINC000822211783 606790218 /nfs/dbraw/zinc/79/02/18/606790218.db2.gz OIPVZJDSMMTWCN-UHFFFAOYSA-N -1 3 365.784 3.473 20 0 FGADHM Cc1cc(Oc2cc(Cl)ccc2-c2nn[n-]n2)nc(-c2ccccn2)n1 ZINC000822211783 606790219 /nfs/dbraw/zinc/79/02/19/606790219.db2.gz OIPVZJDSMMTWCN-UHFFFAOYSA-N -1 3 365.784 3.473 20 0 FGADHM O=C(Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1)[C@@H]1CCSC1 ZINC000823350599 606800325 /nfs/dbraw/zinc/80/03/25/606800325.db2.gz UAGPTEYUNYBZPP-CYBMUJFWSA-N -1 3 367.434 3.351 20 0 FGADHM O=C(Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)[C@@H]1CCSC1 ZINC000823350599 606800326 /nfs/dbraw/zinc/80/03/26/606800326.db2.gz UAGPTEYUNYBZPP-CYBMUJFWSA-N -1 3 367.434 3.351 20 0 FGADHM CC[C@@H](C)Oc1cc(C)ccc1CNc1nnc(C)c(C)c1-c1nnn[n-]1 ZINC000820876936 606801056 /nfs/dbraw/zinc/80/10/56/606801056.db2.gz WVKJHODTLSEHCQ-GFCCVEGCSA-N -1 3 367.457 3.371 20 0 FGADHM CC[C@@H](C)Oc1cc(C)ccc1CNc1nnc(C)c(C)c1-c1nn[n-]n1 ZINC000820876936 606801058 /nfs/dbraw/zinc/80/10/58/606801058.db2.gz WVKJHODTLSEHCQ-GFCCVEGCSA-N -1 3 367.457 3.371 20 0 FGADHM CC(C)CC1(CNC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000820063491 606810808 /nfs/dbraw/zinc/81/08/08/606810808.db2.gz UVWZIFJEPTVTAA-UHFFFAOYSA-N -1 3 359.499 3.042 20 0 FGADHM CC(C)CC1(CNC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000820063491 606810810 /nfs/dbraw/zinc/81/08/10/606810810.db2.gz UVWZIFJEPTVTAA-UHFFFAOYSA-N -1 3 359.499 3.042 20 0 FGADHM CC[C@H]1CCC[C@@H]1NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000820972713 606815614 /nfs/dbraw/zinc/81/56/14/606815614.db2.gz QZBPTRRIXYTMJA-YOEHRIQHSA-N -1 3 357.458 3.111 20 0 FGADHM CC[C@H]1CCC[C@@H]1NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000820972713 606815616 /nfs/dbraw/zinc/81/56/16/606815616.db2.gz QZBPTRRIXYTMJA-YOEHRIQHSA-N -1 3 357.458 3.111 20 0 FGADHM CC[C@@H](O)c1ccc(OCCCOc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000820931847 606839270 /nfs/dbraw/zinc/83/92/70/606839270.db2.gz JDMPKNMXXNEGKP-GOSISDBHSA-N -1 3 354.410 3.158 20 0 FGADHM CC[C@@H](O)c1ccc(OCCCOc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000820931847 606839272 /nfs/dbraw/zinc/83/92/72/606839272.db2.gz JDMPKNMXXNEGKP-GOSISDBHSA-N -1 3 354.410 3.158 20 0 FGADHM CC(C)(C)c1nc(CSCCCOc2cccc(-c3nnn[n-]3)c2)no1 ZINC000819965792 606840668 /nfs/dbraw/zinc/84/06/68/606840668.db2.gz MZINLSQVNOEHTQ-UHFFFAOYSA-N -1 3 374.470 3.250 20 0 FGADHM CC(C)(C)c1nc(CSCCCOc2cccc(-c3nn[n-]n3)c2)no1 ZINC000819965792 606840669 /nfs/dbraw/zinc/84/06/69/606840669.db2.gz MZINLSQVNOEHTQ-UHFFFAOYSA-N -1 3 374.470 3.250 20 0 FGADHM Cc1cc(F)c(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)cc1F ZINC000822202241 606861269 /nfs/dbraw/zinc/86/12/69/606861269.db2.gz ROSDJBWWPBTNBQ-UHFFFAOYSA-N -1 3 369.375 3.258 20 0 FGADHM Cc1cc(F)c(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)cc1F ZINC000822202241 606861272 /nfs/dbraw/zinc/86/12/72/606861272.db2.gz ROSDJBWWPBTNBQ-UHFFFAOYSA-N -1 3 369.375 3.258 20 0 FGADHM Cc1ncsc1COC(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000822481926 606891239 /nfs/dbraw/zinc/89/12/39/606891239.db2.gz HHRZFHPECNWCSZ-UHFFFAOYSA-N -1 3 369.328 3.007 20 0 FGADHM Cc1ncsc1COC(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000822481926 606891241 /nfs/dbraw/zinc/89/12/41/606891241.db2.gz HHRZFHPECNWCSZ-UHFFFAOYSA-N -1 3 369.328 3.007 20 0 FGADHM CCc1nnc(N[C@@H](C)c2ccc(F)cc2F)c(-c2nnn[n-]2)c1CC ZINC000821528148 606917510 /nfs/dbraw/zinc/91/75/10/606917510.db2.gz JZRWJANIQGGUBR-VIFPVBQESA-N -1 3 359.384 3.233 20 0 FGADHM CCc1nnc(N[C@@H](C)c2ccc(F)cc2F)c(-c2nn[n-]n2)c1CC ZINC000821528148 606917511 /nfs/dbraw/zinc/91/75/11/606917511.db2.gz JZRWJANIQGGUBR-VIFPVBQESA-N -1 3 359.384 3.233 20 0 FGADHM CCc1nnc(N[C@@H]2CCC[C@H](C(F)(F)F)C2)c(-c2nnn[n-]2)c1CC ZINC000821528540 606919104 /nfs/dbraw/zinc/91/91/04/606919104.db2.gz OSQAHXAWJHGWKK-VHSXEESVSA-N -1 3 369.395 3.315 20 0 FGADHM CCc1nnc(N[C@@H]2CCC[C@H](C(F)(F)F)C2)c(-c2nn[n-]n2)c1CC ZINC000821528540 606919106 /nfs/dbraw/zinc/91/91/06/606919106.db2.gz OSQAHXAWJHGWKK-VHSXEESVSA-N -1 3 369.395 3.315 20 0 FGADHM CN(C(=O)c1cccc2c1CCC2)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821574459 606959086 /nfs/dbraw/zinc/95/90/86/606959086.db2.gz HUSLARCXNXGRIS-UHFFFAOYSA-N -1 3 353.813 3.285 20 0 FGADHM CN(C(=O)c1cccc2c1CCC2)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821574459 606959088 /nfs/dbraw/zinc/95/90/88/606959088.db2.gz HUSLARCXNXGRIS-UHFFFAOYSA-N -1 3 353.813 3.285 20 0 FGADHM Cc1cccc(CCC(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)c1 ZINC000822299410 606963257 /nfs/dbraw/zinc/96/32/57/606963257.db2.gz IDPFASNPDUIXLS-UHFFFAOYSA-N -1 3 355.829 3.424 20 0 FGADHM Cc1cccc(CCC(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)c1 ZINC000822299410 606963258 /nfs/dbraw/zinc/96/32/58/606963258.db2.gz IDPFASNPDUIXLS-UHFFFAOYSA-N -1 3 355.829 3.424 20 0 FGADHM CN(C(=O)CCc1ccc(OC(F)F)cc1)c1ccccc1-c1nnn[n-]1 ZINC000821569895 606971347 /nfs/dbraw/zinc/97/13/47/606971347.db2.gz ZPBOZNPNBOZBRR-UHFFFAOYSA-N -1 3 373.363 3.064 20 0 FGADHM CN(C(=O)CCc1ccc(OC(F)F)cc1)c1ccccc1-c1nn[n-]n1 ZINC000821569895 606971349 /nfs/dbraw/zinc/97/13/49/606971349.db2.gz ZPBOZNPNBOZBRR-UHFFFAOYSA-N -1 3 373.363 3.064 20 0 FGADHM Cc1c2cc(C)ccc2[nH]c1C(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000822270956 606993052 /nfs/dbraw/zinc/99/30/52/606993052.db2.gz FOQAERLJWPLSDU-UHFFFAOYSA-N -1 3 360.421 3.237 20 0 FGADHM Cc1c2cc(C)ccc2[nH]c1C(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000822270956 606993053 /nfs/dbraw/zinc/99/30/53/606993053.db2.gz FOQAERLJWPLSDU-UHFFFAOYSA-N -1 3 360.421 3.237 20 0 FGADHM C[C@@H]1CN(C(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)c2ccccc21 ZINC000820735035 606998243 /nfs/dbraw/zinc/99/82/43/606998243.db2.gz PNPQRZVSFALHOK-CYBMUJFWSA-N -1 3 363.421 3.174 20 0 FGADHM C[C@@H]1CN(C(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)c2ccccc21 ZINC000820735035 606998244 /nfs/dbraw/zinc/99/82/44/606998244.db2.gz PNPQRZVSFALHOK-CYBMUJFWSA-N -1 3 363.421 3.174 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000823421985 607000812 /nfs/dbraw/zinc/00/08/12/607000812.db2.gz LZIRRCSEFQZRST-VXGBXAGGSA-N -1 3 374.322 3.131 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000823421985 607000815 /nfs/dbraw/zinc/00/08/15/607000815.db2.gz LZIRRCSEFQZRST-VXGBXAGGSA-N -1 3 374.322 3.131 20 0 FGADHM Clc1ccc(-n2cc(CSc3ccccc3-c3nnn[n-]3)nn2)cc1 ZINC000822573988 607010616 /nfs/dbraw/zinc/01/06/16/607010616.db2.gz MMRJNEDYTJPRNR-UHFFFAOYSA-N -1 3 369.841 3.393 20 0 FGADHM Clc1ccc(-n2cc(CSc3ccccc3-c3nn[n-]n3)nn2)cc1 ZINC000822573988 607010617 /nfs/dbraw/zinc/01/06/17/607010617.db2.gz MMRJNEDYTJPRNR-UHFFFAOYSA-N -1 3 369.841 3.393 20 0 FGADHM CC(=O)c1cccc(C(=O)N(CC(C)C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000819832729 607011916 /nfs/dbraw/zinc/01/19/16/607011916.db2.gz AVALTTRWBQYDQR-UHFFFAOYSA-N -1 3 363.421 3.372 20 0 FGADHM CC(=O)c1cccc(C(=O)N(CC(C)C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000819832729 607011917 /nfs/dbraw/zinc/01/19/17/607011917.db2.gz AVALTTRWBQYDQR-UHFFFAOYSA-N -1 3 363.421 3.372 20 0 FGADHM Cc1ccc(NC(=O)[C@@H](C)Sc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000822242256 607014129 /nfs/dbraw/zinc/01/41/29/607014129.db2.gz GAMFAHMDEFXZLK-LLVKDONJSA-N -1 3 357.414 3.434 20 0 FGADHM Cc1ccc(NC(=O)[C@@H](C)Sc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000822242256 607014131 /nfs/dbraw/zinc/01/41/31/607014131.db2.gz GAMFAHMDEFXZLK-LLVKDONJSA-N -1 3 357.414 3.434 20 0 FGADHM Cc1ccc(F)cc1NC(=O)[C@@H](C)Sc1cccc(-c2nnn[n-]2)c1 ZINC000822241544 607015564 /nfs/dbraw/zinc/01/55/64/607015564.db2.gz ZKQQHPKNXQNUMP-LLVKDONJSA-N -1 3 357.414 3.434 20 0 FGADHM Cc1ccc(F)cc1NC(=O)[C@@H](C)Sc1cccc(-c2nn[n-]n2)c1 ZINC000822241544 607015565 /nfs/dbraw/zinc/01/55/65/607015565.db2.gz ZKQQHPKNXQNUMP-LLVKDONJSA-N -1 3 357.414 3.434 20 0 FGADHM O=C1[C@H](Sc2cccc(-c3nnn[n-]3)c2)CCN1c1cccc(Cl)c1 ZINC000823513126 607016188 /nfs/dbraw/zinc/01/61/88/607016188.db2.gz SXSSLHIBUZBRRQ-OAHLLOKOSA-N -1 3 371.853 3.418 20 0 FGADHM O=C1[C@H](Sc2cccc(-c3nn[n-]n3)c2)CCN1c1cccc(Cl)c1 ZINC000823513126 607016189 /nfs/dbraw/zinc/01/61/89/607016189.db2.gz SXSSLHIBUZBRRQ-OAHLLOKOSA-N -1 3 371.853 3.418 20 0 FGADHM Cc1ccc(CSC[C@H](O)COc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000822240217 607017506 /nfs/dbraw/zinc/01/75/06/607017506.db2.gz XSCPUVPOCYPRPF-QGZVFWFLSA-N -1 3 370.478 3.157 20 0 FGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)C[C@@H](C)c1ccncc1 ZINC000820151661 607018414 /nfs/dbraw/zinc/01/84/14/607018414.db2.gz LWXPPMZJPIDGIX-CYBMUJFWSA-N -1 3 366.425 3.181 20 0 FGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)C[C@@H](C)c1ccncc1 ZINC000820151661 607018415 /nfs/dbraw/zinc/01/84/15/607018415.db2.gz LWXPPMZJPIDGIX-CYBMUJFWSA-N -1 3 366.425 3.181 20 0 FGADHM COc1ccc(-c2nc(COc3cc(-c4nnn[n-]4)ccc3C)co2)cc1 ZINC000821732660 607029015 /nfs/dbraw/zinc/02/90/15/607029015.db2.gz RQHDOGRUVVVARV-UHFFFAOYSA-N -1 3 363.377 3.418 20 0 FGADHM COc1ccc(-c2nc(COc3cc(-c4nn[n-]n4)ccc3C)co2)cc1 ZINC000821732660 607029017 /nfs/dbraw/zinc/02/90/17/607029017.db2.gz RQHDOGRUVVVARV-UHFFFAOYSA-N -1 3 363.377 3.418 20 0 FGADHM Fc1ccc(-c2nnn[n-]2)c(CSc2nnc(-c3ccccc3F)o2)c1 ZINC000822758473 607038755 /nfs/dbraw/zinc/03/87/55/607038755.db2.gz PLNUAJNZXHLROT-UHFFFAOYSA-N -1 3 372.360 3.487 20 0 FGADHM Fc1ccc(-c2nn[n-]n2)c(CSc2nnc(-c3ccccc3F)o2)c1 ZINC000822758473 607038757 /nfs/dbraw/zinc/03/87/57/607038757.db2.gz PLNUAJNZXHLROT-UHFFFAOYSA-N -1 3 372.360 3.487 20 0 FGADHM COc1cccc([C@@H]2CN([C@@H](C)c3ccc(-c4nn[n-]n4)cc3)CCO2)c1 ZINC000821862613 607076334 /nfs/dbraw/zinc/07/63/34/607076334.db2.gz DEINFEDYMZYGAU-LIRRHRJNSA-N -1 3 365.437 3.010 20 0 FGADHM CC(=CC(=O)OCc1cc(F)ccc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000819766244 607080144 /nfs/dbraw/zinc/08/01/44/607080144.db2.gz WKXUKBMHZHPIMW-DHZHZOJOSA-N -1 3 356.332 3.292 20 0 FGADHM CC(=CC(=O)OCc1cc(F)ccc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000819766244 607080146 /nfs/dbraw/zinc/08/01/46/607080146.db2.gz WKXUKBMHZHPIMW-DHZHZOJOSA-N -1 3 356.332 3.292 20 0 FGADHM O=C(Cc1cc2ccccc2o1)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000823074519 607081592 /nfs/dbraw/zinc/08/15/92/607081592.db2.gz UBRWEXUGKJVIKS-UHFFFAOYSA-N -1 3 352.325 3.038 20 0 FGADHM O=C(Cc1cc2ccccc2o1)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000823074519 607081593 /nfs/dbraw/zinc/08/15/93/607081593.db2.gz UBRWEXUGKJVIKS-UHFFFAOYSA-N -1 3 352.325 3.038 20 0 FGADHM CSc1ccsc1C(=O)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000821990894 607082571 /nfs/dbraw/zinc/08/25/71/607082571.db2.gz XSIIIAGDIBLOQC-UHFFFAOYSA-N -1 3 350.400 3.146 20 0 FGADHM CSc1ccsc1C(=O)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000821990894 607082572 /nfs/dbraw/zinc/08/25/72/607082572.db2.gz XSIIIAGDIBLOQC-UHFFFAOYSA-N -1 3 350.400 3.146 20 0 FGADHM Cc1ccc2c(CC(=O)OCc3cc(F)ccc3-c3nnn[n-]3)c[nH]c2c1 ZINC000822274757 607082754 /nfs/dbraw/zinc/08/27/54/607082754.db2.gz IKWOJAMQQGJNES-UHFFFAOYSA-N -1 3 365.368 3.081 20 0 FGADHM Cc1ccc2c(CC(=O)OCc3cc(F)ccc3-c3nn[n-]n3)c[nH]c2c1 ZINC000822274757 607082756 /nfs/dbraw/zinc/08/27/56/607082756.db2.gz IKWOJAMQQGJNES-UHFFFAOYSA-N -1 3 365.368 3.081 20 0 FGADHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000823413213 607084682 /nfs/dbraw/zinc/08/46/82/607084682.db2.gz CLOHBOOTVSKEHV-UONOGXRCSA-N -1 3 374.322 3.131 20 0 FGADHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000823413213 607084683 /nfs/dbraw/zinc/08/46/83/607084683.db2.gz CLOHBOOTVSKEHV-UONOGXRCSA-N -1 3 374.322 3.131 20 0 FGADHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000823413883 607084898 /nfs/dbraw/zinc/08/48/98/607084898.db2.gz OXNKPPODZIMZRL-DZGCQCFKSA-N -1 3 374.322 3.131 20 0 FGADHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000823413883 607084899 /nfs/dbraw/zinc/08/48/99/607084899.db2.gz OXNKPPODZIMZRL-DZGCQCFKSA-N -1 3 374.322 3.131 20 0 FGADHM CC1CCC(N(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)C2CC2)CC1 ZINC000820689674 607101424 /nfs/dbraw/zinc/10/14/24/607101424.db2.gz AWXNVLNSOFOJAP-UHFFFAOYSA-N -1 3 354.458 3.119 20 0 FGADHM CC1CCC(N(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)C2CC2)CC1 ZINC000820689674 607101425 /nfs/dbraw/zinc/10/14/25/607101425.db2.gz AWXNVLNSOFOJAP-UHFFFAOYSA-N -1 3 354.458 3.119 20 0 FGADHM CC(C)c1nn(-c2ccccc2)cc1CNc1ncccc1-c1nnn[n-]1 ZINC000820206577 607116972 /nfs/dbraw/zinc/11/69/72/607116972.db2.gz QZYYWCHQTSLPRS-UHFFFAOYSA-N -1 3 360.425 3.183 20 0 FGADHM CC(C)c1nn(-c2ccccc2)cc1CNc1ncccc1-c1nn[n-]n1 ZINC000820206577 607116973 /nfs/dbraw/zinc/11/69/73/607116973.db2.gz QZYYWCHQTSLPRS-UHFFFAOYSA-N -1 3 360.425 3.183 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCC1(CCC)CC1 ZINC000821105194 607125065 /nfs/dbraw/zinc/12/50/65/607125065.db2.gz YGMIYSCBZGBLSQ-UHFFFAOYSA-N -1 3 356.474 3.369 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCC1(CCC)CC1 ZINC000821105194 607125067 /nfs/dbraw/zinc/12/50/67/607125067.db2.gz YGMIYSCBZGBLSQ-UHFFFAOYSA-N -1 3 356.474 3.369 20 0 FGADHM Cc1ccn(-c2ccccc2CNc2c(F)cc(-c3nnn[n-]3)cc2F)n1 ZINC000822369086 607126044 /nfs/dbraw/zinc/12/60/44/607126044.db2.gz AGECCMXZSHWMQN-UHFFFAOYSA-N -1 3 367.363 3.251 20 0 FGADHM Cc1ccn(-c2ccccc2CNc2c(F)cc(-c3nn[n-]n3)cc2F)n1 ZINC000822369086 607126046 /nfs/dbraw/zinc/12/60/46/607126046.db2.gz AGECCMXZSHWMQN-UHFFFAOYSA-N -1 3 367.363 3.251 20 0 FGADHM Cc1cc(C)c(-c2nnn[n-]2)c(SCc2cccc3nsnc32)n1 ZINC000822193314 607149322 /nfs/dbraw/zinc/14/93/22/607149322.db2.gz RZJNFRPKSBPSCC-UHFFFAOYSA-N -1 3 355.452 3.176 20 0 FGADHM Cc1cc(C)c(-c2nn[n-]n2)c(SCc2cccc3nsnc32)n1 ZINC000822193314 607149323 /nfs/dbraw/zinc/14/93/23/607149323.db2.gz RZJNFRPKSBPSCC-UHFFFAOYSA-N -1 3 355.452 3.176 20 0 FGADHM C[C@H](SCc1cccc(-c2nnn[n-]2)c1)c1cn(-c2ccccc2)nn1 ZINC000820548876 607150436 /nfs/dbraw/zinc/15/04/36/607150436.db2.gz HCTRPGFMLXHIGJ-ZDUSSCGKSA-N -1 3 363.450 3.442 20 0 FGADHM C[C@H](SCc1cccc(-c2nn[n-]n2)c1)c1cn(-c2ccccc2)nn1 ZINC000820548876 607150438 /nfs/dbraw/zinc/15/04/38/607150438.db2.gz HCTRPGFMLXHIGJ-ZDUSSCGKSA-N -1 3 363.450 3.442 20 0 FGADHM C[C@H](COc1ccccc1)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000820293786 607151277 /nfs/dbraw/zinc/15/12/77/607151277.db2.gz NVPRCEIDVGSZFW-LLVKDONJSA-N -1 3 357.801 3.174 20 0 FGADHM C[C@H](COc1ccccc1)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000820293786 607151280 /nfs/dbraw/zinc/15/12/80/607151280.db2.gz NVPRCEIDVGSZFW-LLVKDONJSA-N -1 3 357.801 3.174 20 0 FGADHM Cc1ccccc1[C@H](C)OC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000822345580 607158778 /nfs/dbraw/zinc/15/87/78/607158778.db2.gz LDKITEFANXZQDQ-UONOGXRCSA-N -1 3 352.394 3.247 20 0 FGADHM Clc1cccc(-c2nnc(CNc3cccc(-c4nnn[n-]4)c3)o2)c1 ZINC000822581739 607165894 /nfs/dbraw/zinc/16/58/94/607165894.db2.gz MWALMEUUUOVRQI-UHFFFAOYSA-N -1 3 353.773 3.182 20 0 FGADHM Clc1cccc(-c2nnc(CNc3cccc(-c4nn[n-]n4)c3)o2)c1 ZINC000822581739 607165896 /nfs/dbraw/zinc/16/58/96/607165896.db2.gz MWALMEUUUOVRQI-UHFFFAOYSA-N -1 3 353.773 3.182 20 0 FGADHM Fc1ccc(-c2noc(CSc3cccc(-c4nnn[n-]4)c3)n2)cc1F ZINC000822761186 607170238 /nfs/dbraw/zinc/17/02/38/607170238.db2.gz BGZWYMJJELHSLW-UHFFFAOYSA-N -1 3 372.360 3.487 20 0 FGADHM Fc1ccc(-c2noc(CSc3cccc(-c4nn[n-]n4)c3)n2)cc1F ZINC000822761186 607170239 /nfs/dbraw/zinc/17/02/39/607170239.db2.gz BGZWYMJJELHSLW-UHFFFAOYSA-N -1 3 372.360 3.487 20 0 FGADHM O=C(NCCCF)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000823188288 607192808 /nfs/dbraw/zinc/19/28/08/607192808.db2.gz XBLQBSFBXAUZOU-UHFFFAOYSA-N -1 3 357.414 3.107 20 0 FGADHM O=C(NCCCF)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC000823188288 607192809 /nfs/dbraw/zinc/19/28/09/607192809.db2.gz XBLQBSFBXAUZOU-UHFFFAOYSA-N -1 3 357.414 3.107 20 0 FGADHM O=C(NCCCF)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000823187397 607195324 /nfs/dbraw/zinc/19/53/24/607195324.db2.gz JVRHGGVACQXSSZ-UHFFFAOYSA-N -1 3 374.351 3.279 20 0 FGADHM O=C(NCCCF)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000823187397 607195325 /nfs/dbraw/zinc/19/53/25/607195325.db2.gz JVRHGGVACQXSSZ-UHFFFAOYSA-N -1 3 374.351 3.279 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N[C@H]1CCCc2[nH]ccc21 ZINC000823319681 607197042 /nfs/dbraw/zinc/19/70/42/607197042.db2.gz XJONLFHVVHRDFQ-ZDUSSCGKSA-N -1 3 357.805 3.047 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N[C@H]1CCCc2[nH]ccc21 ZINC000823319681 607197043 /nfs/dbraw/zinc/19/70/43/607197043.db2.gz XJONLFHVVHRDFQ-ZDUSSCGKSA-N -1 3 357.805 3.047 20 0 FGADHM C[C@H](CCc1cccn1C)NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820253260 607197870 /nfs/dbraw/zinc/19/78/70/607197870.db2.gz HNLAUOPJVBAVMY-LLVKDONJSA-N -1 3 373.848 3.001 20 0 FGADHM C[C@H](CCc1cccn1C)NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820253260 607197871 /nfs/dbraw/zinc/19/78/71/607197871.db2.gz HNLAUOPJVBAVMY-LLVKDONJSA-N -1 3 373.848 3.001 20 0 FGADHM O=C(NC[C@@H]1CCc2ccccc21)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823182829 607204518 /nfs/dbraw/zinc/20/45/18/607204518.db2.gz ORPBDOIMMCDQFZ-ZDUSSCGKSA-N -1 3 368.828 3.372 20 0 FGADHM O=C(NC[C@@H]1CCc2ccccc21)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823182829 607204519 /nfs/dbraw/zinc/20/45/19/607204519.db2.gz ORPBDOIMMCDQFZ-ZDUSSCGKSA-N -1 3 368.828 3.372 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)c(N2CCC(c3c[nH]c4ccccc34)CC2)n1 ZINC000822215217 607226839 /nfs/dbraw/zinc/22/68/39/607226839.db2.gz RFXMILCFRMWTGP-UHFFFAOYSA-N -1 3 359.437 3.435 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)c(N2CCC(c3c[nH]c4ccccc34)CC2)n1 ZINC000822215217 607226840 /nfs/dbraw/zinc/22/68/40/607226840.db2.gz RFXMILCFRMWTGP-UHFFFAOYSA-N -1 3 359.437 3.435 20 0 FGADHM COc1ccccc1[C@H](NCc1ccc(-c2nnn[n-]2)cc1)c1ccco1 ZINC000821882666 607229654 /nfs/dbraw/zinc/22/96/54/607229654.db2.gz HOOJZQVGYLQBSH-IBGZPJMESA-N -1 3 361.405 3.348 20 0 FGADHM COc1ccccc1[C@H](NCc1ccc(-c2nn[n-]n2)cc1)c1ccco1 ZINC000821882666 607229655 /nfs/dbraw/zinc/22/96/55/607229655.db2.gz HOOJZQVGYLQBSH-IBGZPJMESA-N -1 3 361.405 3.348 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CCCC[C@@H](C)C(C)=O ZINC000821117891 607234429 /nfs/dbraw/zinc/23/44/29/607234429.db2.gz COTIBITUWBBGDX-CYBMUJFWSA-N -1 3 372.473 3.413 20 0 FGADHM O=C(Cn1c2ccccc2nc1C(F)(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000823118715 607237183 /nfs/dbraw/zinc/23/71/83/607237183.db2.gz NRESVFGNNOLUQL-UHFFFAOYSA-N -1 3 372.310 3.118 20 0 FGADHM O=C(Cn1c2ccccc2nc1C(F)(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000823118715 607237184 /nfs/dbraw/zinc/23/71/84/607237184.db2.gz NRESVFGNNOLUQL-UHFFFAOYSA-N -1 3 372.310 3.118 20 0 FGADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)N(c1ccccn1)C1CCCC1 ZINC000822974186 607240923 /nfs/dbraw/zinc/24/09/23/607240923.db2.gz AAZPRJFNCNUEGS-UHFFFAOYSA-N -1 3 362.437 3.170 20 0 FGADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)N(c1ccccn1)C1CCCC1 ZINC000822974186 607240924 /nfs/dbraw/zinc/24/09/24/607240924.db2.gz AAZPRJFNCNUEGS-UHFFFAOYSA-N -1 3 362.437 3.170 20 0 FGADHM Cc1cccc(C2(C(=O)Oc3ccc(-c4nnn[n-]4)cc3F)CCC2)c1 ZINC000822299565 607247026 /nfs/dbraw/zinc/24/70/26/607247026.db2.gz NEHREDNUESPKIT-UHFFFAOYSA-N -1 3 352.369 3.342 20 0 FGADHM Cc1cccc(C2(C(=O)Oc3ccc(-c4nn[n-]n4)cc3F)CCC2)c1 ZINC000822299565 607247027 /nfs/dbraw/zinc/24/70/27/607247027.db2.gz NEHREDNUESPKIT-UHFFFAOYSA-N -1 3 352.369 3.342 20 0 FGADHM Cc1ccc(SCC(=O)Oc2ccc(-c3nnn[n-]3)cc2F)c(C)c1 ZINC000822267309 607247071 /nfs/dbraw/zinc/24/70/71/607247071.db2.gz SAISWTCEIDPACV-UHFFFAOYSA-N -1 3 358.398 3.320 20 0 FGADHM Cc1ccc(SCC(=O)Oc2ccc(-c3nn[n-]n3)cc2F)c(C)c1 ZINC000822267309 607247072 /nfs/dbraw/zinc/24/70/72/607247072.db2.gz SAISWTCEIDPACV-UHFFFAOYSA-N -1 3 358.398 3.320 20 0 FGADHM CC(=O)c1ccc(NC(=S)Nc2cccc(-c3nnn[n-]3)c2C)cc1 ZINC000819834117 607251694 /nfs/dbraw/zinc/25/16/94/607251694.db2.gz MCAPFLJUTJBIGI-UHFFFAOYSA-N -1 3 352.423 3.187 20 0 FGADHM CC(=O)c1ccc(NC(=S)Nc2cccc(-c3nn[n-]n3)c2C)cc1 ZINC000819834117 607251695 /nfs/dbraw/zinc/25/16/95/607251695.db2.gz MCAPFLJUTJBIGI-UHFFFAOYSA-N -1 3 352.423 3.187 20 0 FGADHM CC(C)(C)Oc1ccncc1NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000824124273 607775713 /nfs/dbraw/zinc/77/57/13/607775713.db2.gz RVVMWUDXVXDTNV-HJWRWDBZSA-N -1 3 364.409 3.091 20 0 FGADHM CC(C)(C)Oc1ccncc1NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000824124273 607775714 /nfs/dbraw/zinc/77/57/14/607775714.db2.gz RVVMWUDXVXDTNV-HJWRWDBZSA-N -1 3 364.409 3.091 20 0 FGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)NCC1(C2CC2)CCC1 ZINC000824147192 607780777 /nfs/dbraw/zinc/78/07/77/607780777.db2.gz AVIHUCGWQPEXNI-UHFFFAOYSA-N -1 3 357.462 3.125 20 0 FGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)NCC1(C2CC2)CCC1 ZINC000824147192 607780778 /nfs/dbraw/zinc/78/07/78/607780778.db2.gz AVIHUCGWQPEXNI-UHFFFAOYSA-N -1 3 357.462 3.125 20 0 FGADHM COc1cccc(OCCSCc2cc(F)ccc2-c2nnn[n-]2)c1 ZINC000826217681 607785059 /nfs/dbraw/zinc/78/50/59/607785059.db2.gz XSDQIFYPDBAYDV-UHFFFAOYSA-N -1 3 360.414 3.327 20 0 FGADHM COc1cccc(OCCSCc2cc(F)ccc2-c2nn[n-]n2)c1 ZINC000826217681 607785060 /nfs/dbraw/zinc/78/50/60/607785060.db2.gz XSDQIFYPDBAYDV-UHFFFAOYSA-N -1 3 360.414 3.327 20 0 FGADHM CCC(=CC(=O)N(C)c1ccccc1-c1nnn[n-]1)c1ccc(OC)cc1 ZINC000825029152 607788645 /nfs/dbraw/zinc/78/86/45/607788645.db2.gz NUVMAZXTYYZBHT-BUHFOSPRSA-N -1 3 363.421 3.332 20 0 FGADHM CCC(=CC(=O)N(C)c1ccccc1-c1nn[n-]n1)c1ccc(OC)cc1 ZINC000825029152 607788646 /nfs/dbraw/zinc/78/86/46/607788646.db2.gz NUVMAZXTYYZBHT-BUHFOSPRSA-N -1 3 363.421 3.332 20 0 FGADHM CCN(C(=O)CCCOCc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825371721 607795786 /nfs/dbraw/zinc/79/57/86/607795786.db2.gz IVHWTVFHSLIQKZ-UHFFFAOYSA-N -1 3 365.437 3.217 20 0 FGADHM CCN(C(=O)CCCOCc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825371721 607795787 /nfs/dbraw/zinc/79/57/87/607795787.db2.gz IVHWTVFHSLIQKZ-UHFFFAOYSA-N -1 3 365.437 3.217 20 0 FGADHM CCN(C(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000825366505 607796240 /nfs/dbraw/zinc/79/62/40/607796240.db2.gz ATQIPUCBSOYODA-GDBMZVCRSA-N -1 3 369.375 3.302 20 0 FGADHM CCN(C(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000825366505 607796241 /nfs/dbraw/zinc/79/62/41/607796241.db2.gz ATQIPUCBSOYODA-GDBMZVCRSA-N -1 3 369.375 3.302 20 0 FGADHM CCO[C@H](C)c1ncc(C(=O)N(CC)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000825577783 607796799 /nfs/dbraw/zinc/79/67/99/607796799.db2.gz ZYPUWKOCFPLSBB-LLVKDONJSA-N -1 3 372.454 3.087 20 0 FGADHM CCO[C@H](C)c1ncc(C(=O)N(CC)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000825577783 607796800 /nfs/dbraw/zinc/79/68/00/607796800.db2.gz ZYPUWKOCFPLSBB-LLVKDONJSA-N -1 3 372.454 3.087 20 0 FGADHM CCN(C(=O)[C@H]1C[C@@H]1c1c(F)cccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367135 607797102 /nfs/dbraw/zinc/79/71/02/607797102.db2.gz JPQYSUXEQLYTOU-KBPBESRZSA-N -1 3 369.375 3.302 20 0 FGADHM CCN(C(=O)[C@H]1C[C@@H]1c1c(F)cccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367135 607797103 /nfs/dbraw/zinc/79/71/03/607797103.db2.gz JPQYSUXEQLYTOU-KBPBESRZSA-N -1 3 369.375 3.302 20 0 FGADHM CCN(C(=O)c1ccc(OCC2CC2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825385713 607797746 /nfs/dbraw/zinc/79/77/46/607797746.db2.gz ROBXQBUWLPKBIZ-UHFFFAOYSA-N -1 3 363.421 3.322 20 0 FGADHM CCN(C(=O)c1ccc(OCC2CC2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825385713 607797747 /nfs/dbraw/zinc/79/77/47/607797747.db2.gz ROBXQBUWLPKBIZ-UHFFFAOYSA-N -1 3 363.421 3.322 20 0 FGADHM CCN(C(=O)[C@H](C)Cc1cccc(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825363237 607798021 /nfs/dbraw/zinc/79/80/21/607798021.db2.gz WCMXQPYLUJQION-CYBMUJFWSA-N -1 3 353.401 3.238 20 0 FGADHM CCN(C(=O)[C@H](C)Cc1cccc(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825363237 607798022 /nfs/dbraw/zinc/79/80/22/607798022.db2.gz WCMXQPYLUJQION-CYBMUJFWSA-N -1 3 353.401 3.238 20 0 FGADHM CCN(C(=O)[C@@H]1SCCc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367287 607798099 /nfs/dbraw/zinc/79/80/99/607798099.db2.gz MQPCSNHCDYJXOJ-QGZVFWFLSA-N -1 3 365.462 3.250 20 0 FGADHM CCN(C(=O)[C@@H]1SCCc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367287 607798100 /nfs/dbraw/zinc/79/81/00/607798100.db2.gz MQPCSNHCDYJXOJ-QGZVFWFLSA-N -1 3 365.462 3.250 20 0 FGADHM CC1(c2ccccc2)CCN(C(=O)c2sccc2-c2nnn[n-]2)CC1 ZINC000824843408 607802872 /nfs/dbraw/zinc/80/28/72/607802872.db2.gz DSDSQRGIJIBGRA-UHFFFAOYSA-N -1 3 353.451 3.122 20 0 FGADHM CC1(c2ccccc2)CCN(C(=O)c2sccc2-c2nn[n-]n2)CC1 ZINC000824843408 607802873 /nfs/dbraw/zinc/80/28/73/607802873.db2.gz DSDSQRGIJIBGRA-UHFFFAOYSA-N -1 3 353.451 3.122 20 0 FGADHM C[C@H]1CSc2ccccc2N(C(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000825012321 607830399 /nfs/dbraw/zinc/83/03/99/607830399.db2.gz HCFALVYWPBZLNR-GFCCVEGCSA-N -1 3 351.435 3.255 20 0 FGADHM C[C@H]1CSc2ccccc2N(C(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000825012321 607830400 /nfs/dbraw/zinc/83/04/00/607830400.db2.gz HCFALVYWPBZLNR-GFCCVEGCSA-N -1 3 351.435 3.255 20 0 FGADHM Cc1cnc(CCN(C)c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)s1 ZINC000826318360 607850354 /nfs/dbraw/zinc/85/03/54/607850354.db2.gz FNHTWWABXUDISQ-UHFFFAOYSA-N -1 3 368.388 3.329 20 0 FGADHM Cc1cnc(CCN(C)c2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)s1 ZINC000826318360 607850355 /nfs/dbraw/zinc/85/03/55/607850355.db2.gz FNHTWWABXUDISQ-UHFFFAOYSA-N -1 3 368.388 3.329 20 0 FGADHM CC1(NC(=O)c2cccc(OCc3ccccc3-c3nnn[n-]3)c2)CCC1 ZINC000824837633 607855185 /nfs/dbraw/zinc/85/51/85/607855185.db2.gz IAEHTRPINAMGDX-UHFFFAOYSA-N -1 3 363.421 3.118 20 0 FGADHM CC1(NC(=O)c2cccc(OCc3ccccc3-c3nn[n-]n3)c2)CCC1 ZINC000824837633 607855186 /nfs/dbraw/zinc/85/51/86/607855186.db2.gz IAEHTRPINAMGDX-UHFFFAOYSA-N -1 3 363.421 3.118 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC[C@@H](O)c1cccc(Cl)c1 ZINC000825610030 607871669 /nfs/dbraw/zinc/87/16/69/607871669.db2.gz WRXJVMPUWKYQPP-CQSZACIVSA-N -1 3 360.801 3.031 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC[C@@H](O)c1cccc(Cl)c1 ZINC000825610030 607871670 /nfs/dbraw/zinc/87/16/70/607871670.db2.gz WRXJVMPUWKYQPP-CQSZACIVSA-N -1 3 360.801 3.031 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1OC[C@@H](O)COc1ccccc1C(C)C ZINC000826254904 607875595 /nfs/dbraw/zinc/87/55/95/607875595.db2.gz FIXJABJMLXIEMW-MRXNPFEDSA-N -1 3 368.437 3.117 20 0 FGADHM CCN(C(=O)c1cc(Cl)ccn1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825381105 607878983 /nfs/dbraw/zinc/87/89/83/607878983.db2.gz ZMZAKRYCASQHSU-UHFFFAOYSA-N -1 3 363.208 3.235 20 0 FGADHM CCN(C(=O)c1cc(Cl)ccn1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825381105 607878984 /nfs/dbraw/zinc/87/89/84/607878984.db2.gz ZMZAKRYCASQHSU-UHFFFAOYSA-N -1 3 363.208 3.235 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000826173955 607880593 /nfs/dbraw/zinc/88/05/93/607880593.db2.gz CECYDDUFTCQYJA-GZBFAFLISA-N -1 3 356.426 3.387 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000826173955 607880594 /nfs/dbraw/zinc/88/05/94/607880594.db2.gz CECYDDUFTCQYJA-GZBFAFLISA-N -1 3 356.426 3.387 20 0 FGADHM C[C@@H](Cc1cccc(Cl)c1)C(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000824457580 607881207 /nfs/dbraw/zinc/88/12/07/607881207.db2.gz QEYCYQKZFPDAHB-ZDUSSCGKSA-N -1 3 369.856 3.357 20 0 FGADHM C[C@@H](Cc1cccc(Cl)c1)C(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000824457580 607881208 /nfs/dbraw/zinc/88/12/08/607881208.db2.gz QEYCYQKZFPDAHB-ZDUSSCGKSA-N -1 3 369.856 3.357 20 0 FGADHM C[C@@H](Nc1cc(Cl)ccc1-c1nnn[n-]1)c1ccc([S@](C)=O)cc1 ZINC000824649099 607902646 /nfs/dbraw/zinc/90/26/46/607902646.db2.gz LGUODSCJZDTRAO-ZZDSUILFSA-N -1 3 361.858 3.431 20 0 FGADHM C[C@@H](Nc1cc(Cl)ccc1-c1nn[n-]n1)c1ccc([S@](C)=O)cc1 ZINC000824649099 607902647 /nfs/dbraw/zinc/90/26/47/607902647.db2.gz LGUODSCJZDTRAO-ZZDSUILFSA-N -1 3 361.858 3.431 20 0 FGADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H](C)C1CCC1 ZINC000824255158 607911910 /nfs/dbraw/zinc/91/19/10/607911910.db2.gz ATIIWRUKUKWXGL-CQSZACIVSA-N -1 3 356.474 3.223 20 0 FGADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H](C)C1CCC1 ZINC000824255158 607911911 /nfs/dbraw/zinc/91/19/11/607911911.db2.gz ATIIWRUKUKWXGL-CQSZACIVSA-N -1 3 356.474 3.223 20 0 FGADHM CC(C)CSCCNC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000824274053 607919592 /nfs/dbraw/zinc/91/95/92/607919592.db2.gz CEFMPFQMNQSDBU-UHFFFAOYSA-N -1 3 354.867 3.031 20 0 FGADHM CC(C)CSCCNC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000824274053 607919593 /nfs/dbraw/zinc/91/95/93/607919593.db2.gz CEFMPFQMNQSDBU-UHFFFAOYSA-N -1 3 354.867 3.031 20 0 FGADHM O=C([C@@H]1C[C@@H]1c1cccc(Cl)c1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826398871 607946544 /nfs/dbraw/zinc/94/65/44/607946544.db2.gz HUJFDDAPOXQMNY-HZPDHXFCSA-N -1 3 365.824 3.213 20 0 FGADHM O=C([C@@H]1C[C@@H]1c1cccc(Cl)c1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826398871 607946545 /nfs/dbraw/zinc/94/65/45/607946545.db2.gz HUJFDDAPOXQMNY-HZPDHXFCSA-N -1 3 365.824 3.213 20 0 FGADHM O=C(C[C@H]1CCCc2ccccc21)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826405239 607946765 /nfs/dbraw/zinc/94/67/65/607946765.db2.gz ZPMGWBFSXVZZBW-MRXNPFEDSA-N -1 3 359.433 3.266 20 0 FGADHM O=C(C[C@H]1CCCc2ccccc21)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826405239 607946766 /nfs/dbraw/zinc/94/67/66/607946766.db2.gz ZPMGWBFSXVZZBW-MRXNPFEDSA-N -1 3 359.433 3.266 20 0 FGADHM C[C@@H](CCc1ccccc1F)C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000824412965 607947948 /nfs/dbraw/zinc/94/79/48/607947948.db2.gz HPPODZYMJQRFCN-ZDUSSCGKSA-N -1 3 365.412 3.164 20 0 FGADHM C[C@@H](CCc1ccccc1F)C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000824412965 607947949 /nfs/dbraw/zinc/94/79/49/607947949.db2.gz HPPODZYMJQRFCN-ZDUSSCGKSA-N -1 3 365.412 3.164 20 0 FGADHM O=C(c1ccc(C(F)(F)F)cc1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826472562 607948427 /nfs/dbraw/zinc/94/84/27/607948427.db2.gz ONAKOQGCFXUVQB-UHFFFAOYSA-N -1 3 359.311 3.088 20 0 FGADHM O=C(c1ccc(C(F)(F)F)cc1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826472562 607948428 /nfs/dbraw/zinc/94/84/28/607948428.db2.gz ONAKOQGCFXUVQB-UHFFFAOYSA-N -1 3 359.311 3.088 20 0 FGADHM O=C(C=Cc1nc2ccccc2s1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826403674 607952100 /nfs/dbraw/zinc/95/21/00/607952100.db2.gz YXOHXVKQHMWURH-FPLPWBNLSA-N -1 3 374.429 3.079 20 0 FGADHM O=C(C=Cc1nc2ccccc2s1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826403674 607952101 /nfs/dbraw/zinc/95/21/01/607952101.db2.gz YXOHXVKQHMWURH-FPLPWBNLSA-N -1 3 374.429 3.079 20 0 FGADHM C[C@@H]1C[C@H]1c1ccc(CCC(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)o1 ZINC000824900012 607953984 /nfs/dbraw/zinc/95/39/84/607953984.db2.gz RJVWIGAQCQVWCJ-MLGOLLRUSA-N -1 3 363.421 3.105 20 0 FGADHM C[C@@H]1C[C@H]1c1ccc(CCC(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)o1 ZINC000824900012 607953985 /nfs/dbraw/zinc/95/39/85/607953985.db2.gz RJVWIGAQCQVWCJ-MLGOLLRUSA-N -1 3 363.421 3.105 20 0 FGADHM CCC(=O)c1cc(C(=O)OCc2ccc(F)cc2-c2nnn[n-]2)ccc1F ZINC000825033955 607960971 /nfs/dbraw/zinc/96/09/71/607960971.db2.gz ARYNWUNAWNOULP-UHFFFAOYSA-N -1 3 372.331 3.095 20 0 FGADHM CCC(=O)c1cc(C(=O)OCc2ccc(F)cc2-c2nn[n-]n2)ccc1F ZINC000825033955 607960972 /nfs/dbraw/zinc/96/09/72/607960972.db2.gz ARYNWUNAWNOULP-UHFFFAOYSA-N -1 3 372.331 3.095 20 0 FGADHM CCc1nc2sccc2c(NCc2ccc(-c3nnn[n-]3)cc2F)n1 ZINC000825750318 607965329 /nfs/dbraw/zinc/96/53/29/607965329.db2.gz QEPLTOHCOIJQDP-UHFFFAOYSA-N -1 3 355.402 3.185 20 0 FGADHM CCc1nc2sccc2c(NCc2ccc(-c3nn[n-]n3)cc2F)n1 ZINC000825750318 607965330 /nfs/dbraw/zinc/96/53/30/607965330.db2.gz QEPLTOHCOIJQDP-UHFFFAOYSA-N -1 3 355.402 3.185 20 0 FGADHM Cc1cc([C@H](Nc2nnc(C)c(C)c2-c2nnn[n-]2)C2CC2)ccc1F ZINC000826262350 607968723 /nfs/dbraw/zinc/96/87/23/607968723.db2.gz MJOCBAUGOBYCAI-MRXNPFEDSA-N -1 3 353.405 3.284 20 0 FGADHM Cc1cc([C@H](Nc2nnc(C)c(C)c2-c2nn[n-]n2)C2CC2)ccc1F ZINC000826262350 607968724 /nfs/dbraw/zinc/96/87/24/607968724.db2.gz MJOCBAUGOBYCAI-MRXNPFEDSA-N -1 3 353.405 3.284 20 0 FGADHM COc1ccc(CSCC(=O)Nc2cccc(C)c2)cc1-c1nnn[n-]1 ZINC000826207301 607984274 /nfs/dbraw/zinc/98/42/74/607984274.db2.gz IVVHHQJQGUZVDY-UHFFFAOYSA-N -1 3 369.450 3.056 20 0 FGADHM COc1ccc(CSCC(=O)Nc2cccc(C)c2)cc1-c1nn[n-]n1 ZINC000826207301 607984275 /nfs/dbraw/zinc/98/42/75/607984275.db2.gz IVVHHQJQGUZVDY-UHFFFAOYSA-N -1 3 369.450 3.056 20 0 FGADHM O=C(CSCc1csc(C2CC2)n1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000826420476 607984746 /nfs/dbraw/zinc/98/47/46/607984746.db2.gz OHRBEIORGOBWIF-UHFFFAOYSA-N -1 3 372.479 3.073 20 0 FGADHM O=C(CSCc1csc(C2CC2)n1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000826420476 607984747 /nfs/dbraw/zinc/98/47/47/607984747.db2.gz OHRBEIORGOBWIF-UHFFFAOYSA-N -1 3 372.479 3.073 20 0 FGADHM CC(C)(C)OC(=O)C1(NCc2ccccc2-c2nnn[n-]2)CCCCC1 ZINC000824094533 607985915 /nfs/dbraw/zinc/98/59/15/607985915.db2.gz YBZPBBVEWGNSNL-UHFFFAOYSA-N -1 3 357.458 3.001 20 0 FGADHM CC(C)(C)OC(=O)C1(NCc2ccccc2-c2nn[n-]n2)CCCCC1 ZINC000824094533 607985916 /nfs/dbraw/zinc/98/59/16/607985916.db2.gz YBZPBBVEWGNSNL-UHFFFAOYSA-N -1 3 357.458 3.001 20 0 FGADHM C[C@H](OC(=O)c1cnc2ccc(F)cc2c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824724029 607989608 /nfs/dbraw/zinc/98/96/08/607989608.db2.gz XJYAGKZUQMISFM-NSHDSACASA-N -1 3 363.352 3.472 20 0 FGADHM C[C@H](OC(=O)c1cnc2ccc(F)cc2c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824724029 607989609 /nfs/dbraw/zinc/98/96/09/607989609.db2.gz XJYAGKZUQMISFM-NSHDSACASA-N -1 3 363.352 3.472 20 0 FGADHM COc1cc(C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)ccc1Cl ZINC000826177772 607989962 /nfs/dbraw/zinc/98/99/62/607989962.db2.gz UURICWDHDRHGMO-JTQLQIEISA-N -1 3 358.785 3.447 20 0 FGADHM COc1cc(C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)ccc1Cl ZINC000826177772 607989963 /nfs/dbraw/zinc/98/99/63/607989963.db2.gz UURICWDHDRHGMO-JTQLQIEISA-N -1 3 358.785 3.447 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N[C@@H](c1cccnc1)C1CC1 ZINC000826453063 608008218 /nfs/dbraw/zinc/00/82/18/608008218.db2.gz UEJSJYKXHRBGRZ-OAHLLOKOSA-N -1 3 369.816 3.188 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N[C@@H](c1cccnc1)C1CC1 ZINC000826453063 608008219 /nfs/dbraw/zinc/00/82/19/608008219.db2.gz UEJSJYKXHRBGRZ-OAHLLOKOSA-N -1 3 369.816 3.188 20 0 FGADHM CC[C@@H](C)n1ncc(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)c1C1CC1 ZINC000825083247 608029624 /nfs/dbraw/zinc/02/96/24/608029624.db2.gz YZVRZEJRZDJGPG-LLVKDONJSA-N -1 3 365.441 3.472 20 0 FGADHM CC[C@@H](C)n1ncc(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)c1C1CC1 ZINC000825083247 608029625 /nfs/dbraw/zinc/02/96/25/608029625.db2.gz YZVRZEJRZDJGPG-LLVKDONJSA-N -1 3 365.441 3.472 20 0 FGADHM Cc1cncc(CNC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)c1 ZINC000826319620 608037879 /nfs/dbraw/zinc/03/78/79/608037879.db2.gz KSBRLENFANAXAG-UHFFFAOYSA-N -1 3 370.416 3.167 20 0 FGADHM Cc1cncc(CNC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)c1 ZINC000826319620 608037880 /nfs/dbraw/zinc/03/78/80/608037880.db2.gz KSBRLENFANAXAG-UHFFFAOYSA-N -1 3 370.416 3.167 20 0 FGADHM C[C@@H](OC(=O)c1cnc([C@H]2CCCO2)s1)c1cccc(-c2nnn[n-]2)c1 ZINC000824723575 608039238 /nfs/dbraw/zinc/03/92/38/608039238.db2.gz SCFCNCHHANXJDR-ZWNOBZJWSA-N -1 3 371.422 3.093 20 0 FGADHM C[C@@H](OC(=O)c1cnc([C@H]2CCCO2)s1)c1cccc(-c2nn[n-]n2)c1 ZINC000824723575 608039239 /nfs/dbraw/zinc/03/92/39/608039239.db2.gz SCFCNCHHANXJDR-ZWNOBZJWSA-N -1 3 371.422 3.093 20 0 FGADHM Cc1ncsc1CN(C)c1ccc(-c2nn[n-]n2)cc1Br ZINC000826331757 608050364 /nfs/dbraw/zinc/05/03/64/608050364.db2.gz WURFVUTWHITXPB-UHFFFAOYSA-N -1 3 365.260 3.031 20 0 FGADHM Cc1cc(C)n(-c2ccccc2NCc2ccc(-c3nnn[n-]3)cc2F)n1 ZINC000826265287 608055873 /nfs/dbraw/zinc/05/58/73/608055873.db2.gz SQJUEUBFTVYKDV-UHFFFAOYSA-N -1 3 363.400 3.420 20 0 FGADHM Cc1cc(C)n(-c2ccccc2NCc2ccc(-c3nn[n-]n3)cc2F)n1 ZINC000826265287 608055874 /nfs/dbraw/zinc/05/58/74/608055874.db2.gz SQJUEUBFTVYKDV-UHFFFAOYSA-N -1 3 363.400 3.420 20 0 FGADHM COc1cccc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)c1F ZINC000826214388 608059036 /nfs/dbraw/zinc/05/90/36/608059036.db2.gz KKWKTSRZXWHKRL-UHFFFAOYSA-N -1 3 373.413 3.207 20 0 FGADHM COc1cccc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)c1F ZINC000826214388 608059037 /nfs/dbraw/zinc/05/90/37/608059037.db2.gz KKWKTSRZXWHKRL-UHFFFAOYSA-N -1 3 373.413 3.207 20 0 FGADHM CC(C)Cc1ccc([C@@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000824280253 608062466 /nfs/dbraw/zinc/06/24/66/608062466.db2.gz IBENFHVVVBLUEG-CYBMUJFWSA-N -1 3 350.426 3.202 20 0 FGADHM CC(C)Cc1ccc([C@@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000824280253 608062467 /nfs/dbraw/zinc/06/24/67/608062467.db2.gz IBENFHVVVBLUEG-CYBMUJFWSA-N -1 3 350.426 3.202 20 0 FGADHM COc1ccc(COC(=O)c2ccc(-c3nnn[n-]3)cc2C)cc1Cl ZINC000826206229 608072493 /nfs/dbraw/zinc/07/24/93/608072493.db2.gz JJRXVWUWLDOCOV-UHFFFAOYSA-N -1 3 358.785 3.194 20 0 FGADHM COc1ccc(COC(=O)c2ccc(-c3nn[n-]n3)cc2C)cc1Cl ZINC000826206229 608072494 /nfs/dbraw/zinc/07/24/94/608072494.db2.gz JJRXVWUWLDOCOV-UHFFFAOYSA-N -1 3 358.785 3.194 20 0 FGADHM CCCC[C@@H](CC)CC(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000825259270 608081737 /nfs/dbraw/zinc/08/17/37/608081737.db2.gz HYUHFENQDLNAOI-QAPCUYQASA-N -1 3 371.485 3.373 20 0 FGADHM CCCC[C@@H](CC)CC(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000825259270 608081738 /nfs/dbraw/zinc/08/17/38/608081738.db2.gz HYUHFENQDLNAOI-QAPCUYQASA-N -1 3 371.485 3.373 20 0 FGADHM O=C(CC1CCCCCC1)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826404214 608082039 /nfs/dbraw/zinc/08/20/39/608082039.db2.gz SPQJOYNDKSSFPM-GOSISDBHSA-N -1 3 369.469 3.127 20 0 FGADHM O=C(CC1CCCCCC1)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826404214 608082040 /nfs/dbraw/zinc/08/20/40/608082040.db2.gz SPQJOYNDKSSFPM-GOSISDBHSA-N -1 3 369.469 3.127 20 0 FGADHM C[C@@H](C[C@H](O)c1ccco1)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000824390771 608123198 /nfs/dbraw/zinc/12/31/98/608123198.db2.gz DFZVWFUMMKOLLH-ZANVPECISA-N -1 3 367.331 3.403 20 0 FGADHM C[C@@H](C[C@H](O)c1ccco1)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000824390771 608123199 /nfs/dbraw/zinc/12/31/99/608123199.db2.gz DFZVWFUMMKOLLH-ZANVPECISA-N -1 3 367.331 3.403 20 0 FGADHM C[C@@H](C[C@@H](O)c1ccco1)Nc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000824393276 608123424 /nfs/dbraw/zinc/12/34/24/608123424.db2.gz RFAQIUXPIWASJC-TVQRCGJNSA-N -1 3 367.331 3.403 20 0 FGADHM COCCOc1ccc(-c2nnn[n-]2)cc1NCc1ccc(Cl)c(C)c1 ZINC000826162074 608135798 /nfs/dbraw/zinc/13/57/98/608135798.db2.gz MGQLFAYOVPWRLU-UHFFFAOYSA-N -1 3 373.844 3.466 20 0 FGADHM COCCOc1ccc(-c2nn[n-]n2)cc1NCc1ccc(Cl)c(C)c1 ZINC000826162074 608135799 /nfs/dbraw/zinc/13/57/99/608135799.db2.gz MGQLFAYOVPWRLU-UHFFFAOYSA-N -1 3 373.844 3.466 20 0 FGADHM C[C@@H]1OCC[C@H]1C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000825019318 608158334 /nfs/dbraw/zinc/15/83/34/608158334.db2.gz DCBNEKXVOVTGLF-YVEFUNNKSA-N -1 3 365.393 3.023 20 0 FGADHM C[C@@H]1OCC[C@H]1C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000825019318 608158335 /nfs/dbraw/zinc/15/83/35/608158335.db2.gz DCBNEKXVOVTGLF-YVEFUNNKSA-N -1 3 365.393 3.023 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)[C@H](C)c1c(F)cccc1F ZINC000826252728 608164472 /nfs/dbraw/zinc/16/44/72/608164472.db2.gz PKYQRZSLDAKQIY-LLVKDONJSA-N -1 3 358.348 3.300 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)[C@H](C)c1c(F)cccc1F ZINC000826252728 608164474 /nfs/dbraw/zinc/16/44/74/608164474.db2.gz PKYQRZSLDAKQIY-LLVKDONJSA-N -1 3 358.348 3.300 20 0 FGADHM CC[C@@H](CC(=O)Nc1nc2cc(-c3nnn[n-]3)ccc2n1CC)C(C)C ZINC000825081450 608173602 /nfs/dbraw/zinc/17/36/02/608173602.db2.gz JCSRYIWDRDRYHK-LBPRGKRZSA-N -1 3 355.446 3.247 20 0 FGADHM CC[C@@H](CC(=O)Nc1nc2cc(-c3nn[n-]n3)ccc2n1CC)C(C)C ZINC000825081450 608173603 /nfs/dbraw/zinc/17/36/03/608173603.db2.gz JCSRYIWDRDRYHK-LBPRGKRZSA-N -1 3 355.446 3.247 20 0 FGADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)[C@@H](C)CC1CCCC1 ZINC000825787382 608175412 /nfs/dbraw/zinc/17/54/12/608175412.db2.gz FUCMMNBDZZZVPF-LBPRGKRZSA-N -1 3 367.457 3.391 20 0 FGADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)[C@@H](C)CC1CCCC1 ZINC000825787382 608175414 /nfs/dbraw/zinc/17/54/14/608175414.db2.gz FUCMMNBDZZZVPF-LBPRGKRZSA-N -1 3 367.457 3.391 20 0 FGADHM C[C@@H]1OCC[C@H]1C(=O)OCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000825018742 608175456 /nfs/dbraw/zinc/17/54/56/608175456.db2.gz APNPDLCJFLTGBP-XJKSGUPXSA-N -1 3 364.405 3.002 20 0 FGADHM C[C@@H]1OCC[C@H]1C(=O)OCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000825018742 608175457 /nfs/dbraw/zinc/17/54/57/608175457.db2.gz APNPDLCJFLTGBP-XJKSGUPXSA-N -1 3 364.405 3.002 20 0 FGADHM CC[C@H](C)[C@H](O)C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000825059220 608194519 /nfs/dbraw/zinc/19/45/19/608194519.db2.gz DDDVBYOCKGYXDR-SJCJKPOMSA-N -1 3 367.409 3.005 20 0 FGADHM CC[C@H](C)[C@H](O)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825059220 608194522 /nfs/dbraw/zinc/19/45/22/608194522.db2.gz DDDVBYOCKGYXDR-SJCJKPOMSA-N -1 3 367.409 3.005 20 0 FGADHM CC[C@H](C)[C@H](O)C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000825060939 608195462 /nfs/dbraw/zinc/19/54/62/608195462.db2.gz VHBKBZHXGDBQRR-SJCJKPOMSA-N -1 3 367.409 3.005 20 0 FGADHM CC[C@H](C)[C@H](O)C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000825060939 608195464 /nfs/dbraw/zinc/19/54/64/608195464.db2.gz VHBKBZHXGDBQRR-SJCJKPOMSA-N -1 3 367.409 3.005 20 0 FGADHM CN(C(=O)CSc1cccc(Cl)c1-c1nnn[n-]1)C1CCCCC1 ZINC000825820915 608206141 /nfs/dbraw/zinc/20/61/41/608206141.db2.gz YDHGDRMAUYJRGD-UHFFFAOYSA-N -1 3 365.890 3.403 20 0 FGADHM CN(C(=O)CSc1cccc(Cl)c1-c1nn[n-]n1)C1CCCCC1 ZINC000825820915 608206143 /nfs/dbraw/zinc/20/61/43/608206143.db2.gz YDHGDRMAUYJRGD-UHFFFAOYSA-N -1 3 365.890 3.403 20 0 FGADHM COCc1cc(CNc2ccc3cc(-c4nnn[n-]4)ccc3n2)ccc1F ZINC000826164153 608226585 /nfs/dbraw/zinc/22/65/85/608226585.db2.gz DSCFLJXCVWQLOG-UHFFFAOYSA-N -1 3 364.384 3.313 20 0 FGADHM COCc1cc(CNc2ccc3cc(-c4nn[n-]n4)ccc3n2)ccc1F ZINC000826164153 608226587 /nfs/dbraw/zinc/22/65/87/608226587.db2.gz DSCFLJXCVWQLOG-UHFFFAOYSA-N -1 3 364.384 3.313 20 0 FGADHM c1ccc(Oc2ccc(CSc3cc(-c4nnn[n-]4)ccn3)nn2)cc1 ZINC000826523070 608231593 /nfs/dbraw/zinc/23/15/93/608231593.db2.gz ZKUGJGKEOQGTTB-UHFFFAOYSA-N -1 3 363.406 3.136 20 0 FGADHM c1ccc(Oc2ccc(CSc3cc(-c4nn[n-]n4)ccn3)nn2)cc1 ZINC000826523070 608231595 /nfs/dbraw/zinc/23/15/95/608231595.db2.gz ZKUGJGKEOQGTTB-UHFFFAOYSA-N -1 3 363.406 3.136 20 0 FGADHM CCC1(O)CCC(Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CC1 ZINC000825176620 608239135 /nfs/dbraw/zinc/23/91/35/608239135.db2.gz ZRBGVPYIVUPSMK-UHFFFAOYSA-N -1 3 355.364 3.381 20 0 FGADHM CCC1(O)CCC(Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CC1 ZINC000825176620 608239136 /nfs/dbraw/zinc/23/91/36/608239136.db2.gz ZRBGVPYIVUPSMK-UHFFFAOYSA-N -1 3 355.364 3.381 20 0 FGADHM C[C@H](NC(=O)C=Cc1ccc2[nH]ccc2c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824477940 608242557 /nfs/dbraw/zinc/24/25/57/608242557.db2.gz DCGAYFKSESZEFR-WOLRVDTOSA-N -1 3 358.405 3.239 20 0 FGADHM C[C@H](NC(=O)C=Cc1ccc2[nH]ccc2c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824477940 608242558 /nfs/dbraw/zinc/24/25/58/608242558.db2.gz DCGAYFKSESZEFR-WOLRVDTOSA-N -1 3 358.405 3.239 20 0 FGADHM CN(C(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1c(Cl)cccc1Cl ZINC000825820459 608264703 /nfs/dbraw/zinc/26/47/03/608264703.db2.gz GQNCLLHEAKQQLZ-UHFFFAOYSA-N -1 3 362.220 3.379 20 0 FGADHM CN(C(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1c(Cl)cccc1Cl ZINC000825820459 608264704 /nfs/dbraw/zinc/26/47/04/608264704.db2.gz GQNCLLHEAKQQLZ-UHFFFAOYSA-N -1 3 362.220 3.379 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H](C)c1cccc(F)c1F ZINC000826185747 608276148 /nfs/dbraw/zinc/27/61/48/608276148.db2.gz SGVYNZCBMBVAKY-SECBINFHSA-N -1 3 374.351 3.036 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H](C)c1cccc(F)c1F ZINC000826185747 608276149 /nfs/dbraw/zinc/27/61/49/608276149.db2.gz SGVYNZCBMBVAKY-SECBINFHSA-N -1 3 374.351 3.036 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)c(NCCOc2cccc(Cl)c2Cl)n1 ZINC000826276836 608277099 /nfs/dbraw/zinc/27/70/99/608277099.db2.gz ZPIRPCQCCFDGIX-UHFFFAOYSA-N -1 3 365.224 3.368 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)c(NCCOc2cccc(Cl)c2Cl)n1 ZINC000826276836 608277100 /nfs/dbraw/zinc/27/71/00/608277100.db2.gz ZPIRPCQCCFDGIX-UHFFFAOYSA-N -1 3 365.224 3.368 20 0 FGADHM Cc1ccc([C@@H]2OCCC[C@@H]2CNc2nc(C)ccc2-c2nnn[n-]2)cc1 ZINC000826286262 608292593 /nfs/dbraw/zinc/29/25/93/608292593.db2.gz WYUUWARMTSDGTA-AEFFLSMTSA-N -1 3 364.453 3.458 20 0 FGADHM Cc1ccc([C@@H]2OCCC[C@@H]2CNc2nc(C)ccc2-c2nn[n-]n2)cc1 ZINC000826286262 608292595 /nfs/dbraw/zinc/29/25/95/608292595.db2.gz WYUUWARMTSDGTA-AEFFLSMTSA-N -1 3 364.453 3.458 20 0 FGADHM C[C@@H](C[C@H](O)c1cccs1)Nc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC000824393280 608299819 /nfs/dbraw/zinc/29/98/19/608299819.db2.gz RHHCGNCEKHFYEY-NHYWBVRUSA-N -1 3 370.482 3.126 20 0 FGADHM C[C@@H](C[C@H](O)c1cccs1)Nc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC000824393280 608299820 /nfs/dbraw/zinc/29/98/20/608299820.db2.gz RHHCGNCEKHFYEY-NHYWBVRUSA-N -1 3 370.482 3.126 20 0 FGADHM COc1ccccc1[C@H](Nc1nc(C)ccc1-c1nnn[n-]1)c1ccccn1 ZINC000826218397 608301223 /nfs/dbraw/zinc/30/12/23/608301223.db2.gz ASGSZAKJHFPTDG-SFHVURJKSA-N -1 3 373.420 3.175 20 0 FGADHM COc1ccccc1[C@H](Nc1nc(C)ccc1-c1nn[n-]n1)c1ccccn1 ZINC000826218397 608301225 /nfs/dbraw/zinc/30/12/25/608301225.db2.gz ASGSZAKJHFPTDG-SFHVURJKSA-N -1 3 373.420 3.175 20 0 FGADHM O=C(NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)C1CC(F)(F)C1 ZINC000826440384 608306090 /nfs/dbraw/zinc/30/60/90/608306090.db2.gz KYBQOWYBTCRAFH-UHFFFAOYSA-N -1 3 369.375 3.195 20 0 FGADHM O=C(NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)C1CC(F)(F)C1 ZINC000826440384 608306091 /nfs/dbraw/zinc/30/60/91/608306091.db2.gz KYBQOWYBTCRAFH-UHFFFAOYSA-N -1 3 369.375 3.195 20 0 FGADHM CCN(C(=O)C=Cc1ccc2[nH]ccc2c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367172 608309134 /nfs/dbraw/zinc/30/91/34/608309134.db2.gz KGVTZMRBOBYZHW-WMZJFQQLSA-N -1 3 358.405 3.414 20 0 FGADHM CCN(C(=O)C=Cc1ccc2[nH]ccc2c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367172 608309136 /nfs/dbraw/zinc/30/91/36/608309136.db2.gz KGVTZMRBOBYZHW-WMZJFQQLSA-N -1 3 358.405 3.414 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1CNc1ccccc1N1CCCCC1 ZINC000826170669 608319517 /nfs/dbraw/zinc/31/95/17/608319517.db2.gz KMUWIKQXDSQXNN-UHFFFAOYSA-N -1 3 364.453 3.478 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1CNc1ccccc1N1CCCCC1 ZINC000826170669 608319519 /nfs/dbraw/zinc/31/95/19/608319519.db2.gz KMUWIKQXDSQXNN-UHFFFAOYSA-N -1 3 364.453 3.478 20 0 FGADHM C[C@@H](COCc1ccccc1)OC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000824442431 608332739 /nfs/dbraw/zinc/33/27/39/608332739.db2.gz VZPFGOYRHNMKMB-RUMSDORHSA-N -1 3 364.405 3.028 20 0 FGADHM C[C@@H](COCc1ccccc1)OC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000824442431 608332740 /nfs/dbraw/zinc/33/27/40/608332740.db2.gz VZPFGOYRHNMKMB-RUMSDORHSA-N -1 3 364.405 3.028 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)c1ccc(F)cc1Cl ZINC000826172564 608344619 /nfs/dbraw/zinc/34/46/19/608344619.db2.gz MWVMYJURVYTAJB-UHFFFAOYSA-N -1 3 362.748 3.025 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)c1ccc(F)cc1Cl ZINC000826172564 608344620 /nfs/dbraw/zinc/34/46/20/608344620.db2.gz MWVMYJURVYTAJB-UHFFFAOYSA-N -1 3 362.748 3.025 20 0 FGADHM CC(C)n1cnnc1[C@H]1CCCN(c2cc(Cl)ccc2-c2nnn[n-]2)C1 ZINC000824378024 608378684 /nfs/dbraw/zinc/37/86/84/608378684.db2.gz WMAPNSSKAFNJCF-LBPRGKRZSA-N -1 3 372.864 3.077 20 0 FGADHM CC(C)n1cnnc1[C@H]1CCCN(c2cc(Cl)ccc2-c2nn[n-]n2)C1 ZINC000824378024 608378685 /nfs/dbraw/zinc/37/86/85/608378685.db2.gz WMAPNSSKAFNJCF-LBPRGKRZSA-N -1 3 372.864 3.077 20 0 FGADHM CC1(C)CCC[C@H]1NC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824801119 608416667 /nfs/dbraw/zinc/41/66/67/608416667.db2.gz BIZQZDVLEVTCPL-QGZVFWFLSA-N -1 3 366.469 3.244 20 0 FGADHM CC1(C)CCC[C@H]1NC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824801119 608416669 /nfs/dbraw/zinc/41/66/69/608416669.db2.gz BIZQZDVLEVTCPL-QGZVFWFLSA-N -1 3 366.469 3.244 20 0 FGADHM Cc1cc(N2CCCC[C@@H]2C)ccc1Nc1ccc(-c2nnn[n-]2)nn1 ZINC000826269194 608432011 /nfs/dbraw/zinc/43/20/11/608432011.db2.gz DAQWUTARFAWDLT-ZDUSSCGKSA-N -1 3 350.430 3.088 20 0 FGADHM C[C@H](NC(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1ccccc1Cl ZINC000826232093 608434178 /nfs/dbraw/zinc/43/41/78/608434178.db2.gz LYJSLLKPHUBTKM-NSHDSACASA-N -1 3 373.869 3.490 20 0 FGADHM C[C@H](NC(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1ccccc1Cl ZINC000826232093 608434179 /nfs/dbraw/zinc/43/41/79/608434179.db2.gz LYJSLLKPHUBTKM-NSHDSACASA-N -1 3 373.869 3.490 20 0 FGADHM C[C@@H](CC(=O)OCc1cccc(-c2nnn[n-]2)c1F)c1cccc(F)c1 ZINC000824390543 608447925 /nfs/dbraw/zinc/44/79/25/608447925.db2.gz AZVHSDVTSCZRSN-NSHDSACASA-N -1 3 358.348 3.382 20 0 FGADHM C[C@@H](CC(=O)OCc1cccc(-c2nn[n-]n2)c1F)c1cccc(F)c1 ZINC000824390543 608447926 /nfs/dbraw/zinc/44/79/26/608447926.db2.gz AZVHSDVTSCZRSN-NSHDSACASA-N -1 3 358.348 3.382 20 0 FGADHM O=C(C/C=C\c1ccc(F)cc1)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826405264 608451729 /nfs/dbraw/zinc/45/17/29/608451729.db2.gz ZZBMHCFKNVPPHM-IWQZZHSRSA-N -1 3 356.332 3.292 20 0 FGADHM O=C(C/C=C\c1ccc(F)cc1)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826405264 608451731 /nfs/dbraw/zinc/45/17/31/608451731.db2.gz ZZBMHCFKNVPPHM-IWQZZHSRSA-N -1 3 356.332 3.292 20 0 FGADHM C[C@@H](OC(=O)c1cc(F)cc2cccnc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000824721832 608452740 /nfs/dbraw/zinc/45/27/40/608452740.db2.gz FHOLBMNTVFTKHN-LLVKDONJSA-N -1 3 363.352 3.472 20 0 FGADHM C[C@@H](OC(=O)c1cc(F)cc2cccnc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000824721832 608452741 /nfs/dbraw/zinc/45/27/41/608452741.db2.gz FHOLBMNTVFTKHN-LLVKDONJSA-N -1 3 363.352 3.472 20 0 FGADHM CC[C@H](OC1CCCCC1)C(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000825154522 608453115 /nfs/dbraw/zinc/45/31/15/608453115.db2.gz PXXQHNIZNQMBGN-HNNXBMFYSA-N -1 3 362.405 3.177 20 0 FGADHM CC[C@H](OC1CCCCC1)C(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000825154522 608453117 /nfs/dbraw/zinc/45/31/17/608453117.db2.gz PXXQHNIZNQMBGN-HNNXBMFYSA-N -1 3 362.405 3.177 20 0 FGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1)c1ccccc1OC(F)(F)F ZINC000826465797 608458753 /nfs/dbraw/zinc/45/87/53/608458753.db2.gz CVIVNHVIABDDBY-UHFFFAOYSA-N -1 3 364.283 3.122 20 0 FGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1)c1ccccc1OC(F)(F)F ZINC000826465797 608458755 /nfs/dbraw/zinc/45/87/55/608458755.db2.gz CVIVNHVIABDDBY-UHFFFAOYSA-N -1 3 364.283 3.122 20 0 FGADHM Cc1ccccc1-c1noc(CN[C@H](C)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000826305514 608481330 /nfs/dbraw/zinc/48/13/30/608481330.db2.gz ZSBABRLLSPURIZ-CYBMUJFWSA-N -1 3 361.409 3.076 20 0 FGADHM Cc1ccccc1-c1noc(CN[C@H](C)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000826305514 608481332 /nfs/dbraw/zinc/48/13/32/608481332.db2.gz ZSBABRLLSPURIZ-CYBMUJFWSA-N -1 3 361.409 3.076 20 0 FGADHM CCCCS[C@@H](C)C(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000825296325 608484658 /nfs/dbraw/zinc/48/46/58/608484658.db2.gz DNYJOWCEHZDTQJ-AWEZNQCLSA-N -1 3 371.510 3.404 20 0 FGADHM CCCCS[C@@H](C)C(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825296325 608484660 /nfs/dbraw/zinc/48/46/60/608484660.db2.gz DNYJOWCEHZDTQJ-AWEZNQCLSA-N -1 3 371.510 3.404 20 0 FGADHM Cc1ccc(-c2noc(CN[C@@H](C)c3cccc(-c4nnn[n-]4)c3)n2)cc1 ZINC000826280716 608488694 /nfs/dbraw/zinc/48/86/94/608488694.db2.gz MXPSAAIXHALVHM-ZDUSSCGKSA-N -1 3 361.409 3.076 20 0 FGADHM Cc1ccc(-c2noc(CN[C@@H](C)c3cccc(-c4nn[n-]n4)c3)n2)cc1 ZINC000826280716 608488696 /nfs/dbraw/zinc/48/86/96/608488696.db2.gz MXPSAAIXHALVHM-ZDUSSCGKSA-N -1 3 361.409 3.076 20 0 FGADHM O=C(NCC1CCCCC1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826434268 608490262 /nfs/dbraw/zinc/49/02/62/608490262.db2.gz IOTMPILCBGHEEO-UHFFFAOYSA-N -1 3 366.469 3.246 20 0 FGADHM O=C(NCC1CCCCC1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826434268 608490263 /nfs/dbraw/zinc/49/02/63/608490263.db2.gz IOTMPILCBGHEEO-UHFFFAOYSA-N -1 3 366.469 3.246 20 0 FGADHM CC[C@H](OC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1ccc(OC)cc1 ZINC000825154516 608499695 /nfs/dbraw/zinc/49/96/95/608499695.db2.gz PVFGMQNEVPLICN-HNNXBMFYSA-N -1 3 374.347 3.462 20 0 FGADHM CC[C@H](OC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccc(OC)cc1 ZINC000825154516 608499696 /nfs/dbraw/zinc/49/96/96/608499696.db2.gz PVFGMQNEVPLICN-HNNXBMFYSA-N -1 3 374.347 3.462 20 0 FGADHM Clc1ccccc1OC1CCN(Cc2ccc(-c3nnn[n-]3)o2)CC1 ZINC000826353661 608534894 /nfs/dbraw/zinc/53/48/94/608534894.db2.gz YWRNRDFJPRZWDQ-UHFFFAOYSA-N -1 3 359.817 3.157 20 0 FGADHM CC(C)(NCc1ccnc(-c2nnn[n-]2)c1)c1ccccc1Br ZINC000824168051 608551767 /nfs/dbraw/zinc/55/17/67/608551767.db2.gz XHDONHSVPMEWJO-UHFFFAOYSA-N -1 3 373.258 3.049 20 0 FGADHM COc1ccc(Cl)cc1NC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826208511 608571945 /nfs/dbraw/zinc/57/19/45/608571945.db2.gz OBPTWAUXAPCREY-UHFFFAOYSA-N -1 3 364.192 3.434 20 0 FGADHM COc1ccc(Cl)cc1NC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826208511 608571947 /nfs/dbraw/zinc/57/19/47/608571947.db2.gz OBPTWAUXAPCREY-UHFFFAOYSA-N -1 3 364.192 3.434 20 0 FGADHM CCS[C@@H]1CC[C@@H](N(C)C(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)C1 ZINC000825669284 608577018 /nfs/dbraw/zinc/57/70/18/608577018.db2.gz UKWFNEADURQFEO-VXGBXAGGSA-N -1 3 365.890 3.266 20 0 FGADHM CCS[C@@H]1CC[C@@H](N(C)C(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)C1 ZINC000825669284 608577020 /nfs/dbraw/zinc/57/70/20/608577020.db2.gz UKWFNEADURQFEO-VXGBXAGGSA-N -1 3 365.890 3.266 20 0 FGADHM CCCCC[C@H](CC)C(=O)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000825268220 608584955 /nfs/dbraw/zinc/58/49/55/608584955.db2.gz SEMSIRBTBRTTTJ-INIZCTEOSA-N -1 3 370.501 3.122 20 0 FGADHM CCCCC[C@H](CC)C(=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000825268220 608584956 /nfs/dbraw/zinc/58/49/56/608584956.db2.gz SEMSIRBTBRTTTJ-INIZCTEOSA-N -1 3 370.501 3.122 20 0 FGADHM O=C(CCc1ccc2[nH]ccc2c1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826409162 608588130 /nfs/dbraw/zinc/58/81/30/608588130.db2.gz LETAIZPMZQFKAI-UHFFFAOYSA-N -1 3 350.357 3.058 20 0 FGADHM O=C(CCc1ccc2[nH]ccc2c1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826409162 608588132 /nfs/dbraw/zinc/58/81/32/608588132.db2.gz LETAIZPMZQFKAI-UHFFFAOYSA-N -1 3 350.357 3.058 20 0 FGADHM Cc1cccc(NC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)c1F ZINC000826299193 608591496 /nfs/dbraw/zinc/59/14/96/608591496.db2.gz UZZNNWVVYDBNDD-UHFFFAOYSA-N -1 3 357.414 3.186 20 0 FGADHM Cc1cccc(NC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)c1F ZINC000826299193 608591497 /nfs/dbraw/zinc/59/14/97/608591497.db2.gz UZZNNWVVYDBNDD-UHFFFAOYSA-N -1 3 357.414 3.186 20 0 FGADHM CC(C)[C@@H](OC(=O)c1cc(-c2nnn[n-]2)cn1C)c1ccc(F)c(F)c1 ZINC000824207137 608596100 /nfs/dbraw/zinc/59/61/00/608596100.db2.gz QIJXWGKRLYZRHK-OAHLLOKOSA-N -1 3 361.352 3.038 20 0 FGADHM CC(C)[C@@H](OC(=O)c1cc(-c2nn[n-]n2)cn1C)c1ccc(F)c(F)c1 ZINC000824207137 608596105 /nfs/dbraw/zinc/59/61/05/608596105.db2.gz QIJXWGKRLYZRHK-OAHLLOKOSA-N -1 3 361.352 3.038 20 0 FGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@H](C)[C@H]1C ZINC000824319153 608599792 /nfs/dbraw/zinc/59/97/92/608599792.db2.gz HNQGVINVOAOGDA-QWHCGFSZSA-N -1 3 358.446 3.306 20 0 FGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@H](C)[C@H]1C ZINC000824319153 608599795 /nfs/dbraw/zinc/59/97/95/608599795.db2.gz HNQGVINVOAOGDA-QWHCGFSZSA-N -1 3 358.446 3.306 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N[C@@H](C1CCCC1)C(F)(F)F ZINC000826454002 608659237 /nfs/dbraw/zinc/65/92/37/608659237.db2.gz GPWRIMSXWQHJKN-LBPRGKRZSA-N -1 3 372.326 3.248 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N[C@@H](C1CCCC1)C(F)(F)F ZINC000826454002 608659240 /nfs/dbraw/zinc/65/92/40/608659240.db2.gz GPWRIMSXWQHJKN-LBPRGKRZSA-N -1 3 372.326 3.248 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)N[C@@H](C1CCCC1)C(F)(F)F ZINC000826454072 608660970 /nfs/dbraw/zinc/66/09/70/608660970.db2.gz IOBPPAFZKJJNEH-LBPRGKRZSA-N -1 3 372.326 3.248 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)N[C@@H](C1CCCC1)C(F)(F)F ZINC000826454072 608660971 /nfs/dbraw/zinc/66/09/71/608660971.db2.gz IOBPPAFZKJJNEH-LBPRGKRZSA-N -1 3 372.326 3.248 20 0 FGADHM CCN(C(=O)c1ccc(C)c(C)c1O)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825379958 608761766 /nfs/dbraw/zinc/76/17/66/608761766.db2.gz MVWXVYAQQMCYIM-AWEZNQCLSA-N -1 3 365.437 3.412 20 0 FGADHM CCCCOc1ccc(CNc2cnccc2-c2nnn[n-]2)cc1OC ZINC000825290621 608774679 /nfs/dbraw/zinc/77/46/79/608774679.db2.gz BQFXKKTUEGRYLW-UHFFFAOYSA-N -1 3 354.414 3.061 20 0 FGADHM CCCCOc1ccc(CNc2cnccc2-c2nn[n-]n2)cc1OC ZINC000825290621 608774682 /nfs/dbraw/zinc/77/46/82/608774682.db2.gz BQFXKKTUEGRYLW-UHFFFAOYSA-N -1 3 354.414 3.061 20 0 FGADHM CC(C)(C)OC(=O)C1CCC(Nc2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000824093423 608797874 /nfs/dbraw/zinc/79/78/74/608797874.db2.gz HNHBCLRKCQSFAO-UHFFFAOYSA-N -1 3 361.421 3.318 20 0 FGADHM CC(C)(C)OC(=O)C1CCC(Nc2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000824093423 608797875 /nfs/dbraw/zinc/79/78/75/608797875.db2.gz HNHBCLRKCQSFAO-UHFFFAOYSA-N -1 3 361.421 3.318 20 0 FGADHM CC(C)COc1ccccc1NCc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000824270353 608859380 /nfs/dbraw/zinc/85/93/80/608859380.db2.gz CQRKMGBYNHJKOC-UHFFFAOYSA-N -1 3 363.425 3.161 20 0 FGADHM CC(C)COc1ccccc1NCc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000824270353 608859384 /nfs/dbraw/zinc/85/93/84/608859384.db2.gz CQRKMGBYNHJKOC-UHFFFAOYSA-N -1 3 363.425 3.161 20 0 FGADHM Cc1cc(OC(C)C)ccc1NCc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000826271861 608861901 /nfs/dbraw/zinc/86/19/01/608861901.db2.gz KOEAFONPUYIRBN-UHFFFAOYSA-N -1 3 363.425 3.222 20 0 FGADHM Cc1cc(OC(C)C)ccc1NCc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000826271861 608861904 /nfs/dbraw/zinc/86/19/04/608861904.db2.gz KOEAFONPUYIRBN-UHFFFAOYSA-N -1 3 363.425 3.222 20 0 FGADHM c1ccc(COc2ccccc2CNc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000826521890 608869434 /nfs/dbraw/zinc/86/94/34/608869434.db2.gz CKISCAHAPVHXHM-UHFFFAOYSA-N -1 3 358.405 3.453 20 0 FGADHM c1ccc(COc2ccccc2CNc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000826521890 608869435 /nfs/dbraw/zinc/86/94/35/608869435.db2.gz CKISCAHAPVHXHM-UHFFFAOYSA-N -1 3 358.405 3.453 20 0 FGADHM CC1(C)CCCC[C@@H]1Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1 ZINC000824801739 608870991 /nfs/dbraw/zinc/87/09/91/608870991.db2.gz HLVLBBAOAKYZTB-SFHVURJKSA-N -1 3 370.501 3.209 20 0 FGADHM CC1(C)CCCC[C@@H]1Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1 ZINC000824801739 608870992 /nfs/dbraw/zinc/87/09/92/608870992.db2.gz HLVLBBAOAKYZTB-SFHVURJKSA-N -1 3 370.501 3.209 20 0 FGADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)c1ncccc1C(F)(F)F ZINC000826453302 608886791 /nfs/dbraw/zinc/88/67/91/608886791.db2.gz GBHWNUMJDQDWNB-UHFFFAOYSA-N -1 3 368.706 3.186 20 0 FGADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)c1ncccc1C(F)(F)F ZINC000826453302 608886794 /nfs/dbraw/zinc/88/67/94/608886794.db2.gz GBHWNUMJDQDWNB-UHFFFAOYSA-N -1 3 368.706 3.186 20 0 FGADHM CCCOc1ncccc1CN[C@@H](C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000825341827 609137307 /nfs/dbraw/zinc/13/73/07/609137307.db2.gz LAVZWPBQJMYESA-LBPRGKRZSA-N -1 3 356.405 3.040 20 0 FGADHM CCCOc1ncccc1CN[C@@H](C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000825341827 609137309 /nfs/dbraw/zinc/13/73/09/609137309.db2.gz LAVZWPBQJMYESA-LBPRGKRZSA-N -1 3 356.405 3.040 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1C[C@H](C(F)(F)F)CC[C@H]1C ZINC000826277895 609157674 /nfs/dbraw/zinc/15/76/74/609157674.db2.gz LBYAXJZEQIPJMN-ZYHUDNBSSA-N -1 3 368.363 3.370 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1C[C@H](C(F)(F)F)CC[C@H]1C ZINC000826277895 609157675 /nfs/dbraw/zinc/15/76/75/609157675.db2.gz LBYAXJZEQIPJMN-ZYHUDNBSSA-N -1 3 368.363 3.370 20 0 FGADHM c1cc2nccc(NCc3nc(-c4cccc(-c5nn[n-]n5)c4)c[nH]3)c2s1 ZINC000826512560 609166913 /nfs/dbraw/zinc/16/69/13/609166913.db2.gz FOVJGLQBUPLKMG-UHFFFAOYSA-N -1 3 374.433 3.479 20 0 FGADHM CCNc1ccc(-c2nn[n-]n2)cc1NCc1cn2cc(Cl)ccc2n1 ZINC000825481281 609179402 /nfs/dbraw/zinc/17/94/02/609179402.db2.gz VUNCJQDRFJDJNN-UHFFFAOYSA-N -1 3 368.832 3.212 20 0 FGADHM CCc1c(C)sc(NC(=O)c2ccc(C(C)=O)cc2F)c1-c1nnn[n-]1 ZINC000825687686 609183526 /nfs/dbraw/zinc/18/35/26/609183526.db2.gz LQHAAFNPYOJVCX-UHFFFAOYSA-N -1 3 373.413 3.393 20 0 FGADHM CCc1c(C)sc(NC(=O)c2ccc(C(C)=O)cc2F)c1-c1nn[n-]n1 ZINC000825687686 609183528 /nfs/dbraw/zinc/18/35/28/609183528.db2.gz LQHAAFNPYOJVCX-UHFFFAOYSA-N -1 3 373.413 3.393 20 0 FGADHM Cc1ccccc1CN(Cc1ccccc1)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826307065 609210051 /nfs/dbraw/zinc/21/00/51/609210051.db2.gz VNKOGRKGRXSCIN-UHFFFAOYSA-N -1 3 372.432 3.346 20 0 FGADHM Cc1ccccc1CN(Cc1ccccc1)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826307065 609210052 /nfs/dbraw/zinc/21/00/52/609210052.db2.gz VNKOGRKGRXSCIN-UHFFFAOYSA-N -1 3 372.432 3.346 20 0 FGADHM CCc1ccc([C@@H]2CCCCCN2C(=O)c2c[nH]c(-c3nnn[n-]3)c2)o1 ZINC000825704666 609216347 /nfs/dbraw/zinc/21/63/47/609216347.db2.gz MNRJAQDWYARMRN-HNNXBMFYSA-N -1 3 354.414 3.108 20 0 FGADHM CCc1ccc([C@@H]2CCCCCN2C(=O)c2c[nH]c(-c3nn[n-]n3)c2)o1 ZINC000825704666 609216348 /nfs/dbraw/zinc/21/63/48/609216348.db2.gz MNRJAQDWYARMRN-HNNXBMFYSA-N -1 3 354.414 3.108 20 0 FGADHM CCCC[C@@H](CC)Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1 ZINC000825261135 609242324 /nfs/dbraw/zinc/24/23/24/609242324.db2.gz VBBYDKTVNOFRIJ-CQSZACIVSA-N -1 3 358.490 3.209 20 0 FGADHM CCCC[C@@H](CC)Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1 ZINC000825261135 609242326 /nfs/dbraw/zinc/24/23/26/609242326.db2.gz VBBYDKTVNOFRIJ-CQSZACIVSA-N -1 3 358.490 3.209 20 0 FGADHM CCN(C(=O)CCc1ccc(O)cc1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825371036 609268618 /nfs/dbraw/zinc/26/86/18/609268618.db2.gz AWEBAUWCEIQEOJ-AWEZNQCLSA-N -1 3 365.437 3.115 20 0 FGADHM CCN(C(=O)CCc1ccc(O)cc1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825371036 609268619 /nfs/dbraw/zinc/26/86/19/609268619.db2.gz AWEBAUWCEIQEOJ-AWEZNQCLSA-N -1 3 365.437 3.115 20 0 FGADHM Cc1ccc(C(=O)N(C)C)cc1N[C@H](C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826281515 609275640 /nfs/dbraw/zinc/27/56/40/609275640.db2.gz WNYKWZHFNZPXNR-GFCCVEGCSA-N -1 3 368.416 3.189 20 0 FGADHM Cc1ccc(C(=O)N(C)C)cc1N[C@H](C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826281515 609275641 /nfs/dbraw/zinc/27/56/41/609275641.db2.gz WNYKWZHFNZPXNR-GFCCVEGCSA-N -1 3 368.416 3.189 20 0 FGADHM Cc1nc2cc(NC(=O)c3ccc(Cl)c(-c4nnn[n-]4)c3)ccc2o1 ZINC000826328080 609287212 /nfs/dbraw/zinc/28/72/12/609287212.db2.gz FVBHZZBOCIAEGS-UHFFFAOYSA-N -1 3 354.757 3.222 20 0 FGADHM Cc1nc2cc(NC(=O)c3ccc(Cl)c(-c4nn[n-]n4)c3)ccc2o1 ZINC000826328080 609287214 /nfs/dbraw/zinc/28/72/14/609287214.db2.gz FVBHZZBOCIAEGS-UHFFFAOYSA-N -1 3 354.757 3.222 20 0 FGADHM CCOc1cccc([C@H](C)NC(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)c1 ZINC000825648875 609290321 /nfs/dbraw/zinc/29/03/21/609290321.db2.gz FJMWUBHTAJBTSL-NSHDSACASA-N -1 3 371.828 3.410 20 0 FGADHM CCOc1cccc([C@H](C)NC(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)c1 ZINC000825648875 609290322 /nfs/dbraw/zinc/29/03/22/609290322.db2.gz FJMWUBHTAJBTSL-NSHDSACASA-N -1 3 371.828 3.410 20 0 FGADHM CC(C)C[C@@H](C)CC(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000824227694 609291820 /nfs/dbraw/zinc/29/18/20/609291820.db2.gz ALWHKNXQMDUDIL-GFCCVEGCSA-N -1 3 371.420 3.202 20 0 FGADHM Fc1ccc(CN(Cc2ccco2)Cc2cccnc2)cc1-c1nnn[n-]1 ZINC000826374416 609296557 /nfs/dbraw/zinc/29/65/57/609296557.db2.gz YGHKOVZLJMMKJZ-UHFFFAOYSA-N -1 3 364.384 3.196 20 0 FGADHM Fc1ccc(CN(Cc2ccco2)Cc2cccnc2)cc1-c1nn[n-]n1 ZINC000826374416 609296559 /nfs/dbraw/zinc/29/65/59/609296559.db2.gz YGHKOVZLJMMKJZ-UHFFFAOYSA-N -1 3 364.384 3.196 20 0 FGADHM CCN(C(=O)C=Cc1ccc(C)nc1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367435 609298501 /nfs/dbraw/zinc/29/85/01/609298501.db2.gz PXGYBYPPNVQBPU-CUXKMMBLSA-N -1 3 362.437 3.193 20 0 FGADHM CCN(C(=O)C=Cc1ccc(C)nc1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367435 609298503 /nfs/dbraw/zinc/29/85/03/609298503.db2.gz PXGYBYPPNVQBPU-CUXKMMBLSA-N -1 3 362.437 3.193 20 0 FGADHM CCC(CC)[C@H]1C[C@H](NC(=S)Nc2ccccc2-c2nnn[n-]2)CCO1 ZINC000825106803 609310708 /nfs/dbraw/zinc/31/07/08/609310708.db2.gz IRZIPGMEESWOOP-CZUORRHYSA-N -1 3 374.514 3.137 20 0 FGADHM CCC(CC)[C@H]1C[C@H](NC(=S)Nc2ccccc2-c2nn[n-]n2)CCO1 ZINC000825106803 609310710 /nfs/dbraw/zinc/31/07/10/609310710.db2.gz IRZIPGMEESWOOP-CZUORRHYSA-N -1 3 374.514 3.137 20 0 FGADHM Cc1nn(-c2ccccc2)cc1CNc1c(F)cc(-c2nnn[n-]2)cc1F ZINC000826332727 609316693 /nfs/dbraw/zinc/31/66/93/609316693.db2.gz FEZRSCLWHFFQPH-UHFFFAOYSA-N -1 3 367.363 3.251 20 0 FGADHM Cc1nn(-c2ccccc2)cc1CNc1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826332727 609316696 /nfs/dbraw/zinc/31/66/96/609316696.db2.gz FEZRSCLWHFFQPH-UHFFFAOYSA-N -1 3 367.363 3.251 20 0 FGADHM COc1cccc2[nH]cc(CCNc3cccc(F)c3-c3nnn[n-]3)c21 ZINC000826218225 609324716 /nfs/dbraw/zinc/32/47/16/609324716.db2.gz UHSPWIQTMSSSRL-UHFFFAOYSA-N -1 3 352.373 3.150 20 0 FGADHM COc1cccc2[nH]cc(CCNc3cccc(F)c3-c3nn[n-]n3)c21 ZINC000826218225 609324717 /nfs/dbraw/zinc/32/47/17/609324717.db2.gz UHSPWIQTMSSSRL-UHFFFAOYSA-N -1 3 352.373 3.150 20 0 FGADHM C[C@@H](OC(=O)c1ccc(OC(C)(C)C)nc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824724010 609327417 /nfs/dbraw/zinc/32/74/17/609327417.db2.gz XDIWCCOPTORGIB-GFCCVEGCSA-N -1 3 367.409 3.357 20 0 FGADHM C[C@@H](OC(=O)c1ccc(OC(C)(C)C)nc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824724010 609327418 /nfs/dbraw/zinc/32/74/18/609327418.db2.gz XDIWCCOPTORGIB-GFCCVEGCSA-N -1 3 367.409 3.357 20 0 FGADHM Brc1cc(-c2nnn[n-]2)ccc1CSCc1ccon1 ZINC000823821300 609328367 /nfs/dbraw/zinc/32/83/67/609328367.db2.gz SBIPTCRWYSZOJA-UHFFFAOYSA-N -1 3 352.217 3.051 20 0 FGADHM Brc1cc(-c2nn[n-]n2)ccc1CSCc1ccon1 ZINC000823821300 609328369 /nfs/dbraw/zinc/32/83/69/609328369.db2.gz SBIPTCRWYSZOJA-UHFFFAOYSA-N -1 3 352.217 3.051 20 0 FGADHM CCCCOc1ncccc1CN[C@H](C)c1ccc(-c2nnn[n-]2)cc1F ZINC000825296382 609329848 /nfs/dbraw/zinc/32/98/48/609329848.db2.gz GSGXUJFRCZJFPV-CYBMUJFWSA-N -1 3 370.432 3.431 20 0 FGADHM CCCCOc1ncccc1CN[C@H](C)c1ccc(-c2nn[n-]n2)cc1F ZINC000825296382 609329850 /nfs/dbraw/zinc/32/98/50/609329850.db2.gz GSGXUJFRCZJFPV-CYBMUJFWSA-N -1 3 370.432 3.431 20 0 FGADHM CS[C@H](C)CNC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826226285 609332425 /nfs/dbraw/zinc/33/24/25/609332425.db2.gz WQVUUNISCOXCJF-GFCCVEGCSA-N -1 3 369.450 3.140 20 0 FGADHM CS[C@H](C)CNC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826226285 609332426 /nfs/dbraw/zinc/33/24/26/609332426.db2.gz WQVUUNISCOXCJF-GFCCVEGCSA-N -1 3 369.450 3.140 20 0 FGADHM CCc1ccc([C@H](COC)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2F)o1 ZINC000825704402 609337520 /nfs/dbraw/zinc/33/75/20/609337520.db2.gz GUFPVPHPKMPSTD-ZBEGNZNMSA-N -1 3 359.405 3.200 20 0 FGADHM CCc1ccc([C@H](COC)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2F)o1 ZINC000825704402 609337522 /nfs/dbraw/zinc/33/75/22/609337522.db2.gz GUFPVPHPKMPSTD-ZBEGNZNMSA-N -1 3 359.405 3.200 20 0 FGADHM CCC1(C(=O)OCc2ccc(-c3nnn[n-]3)cc2Br)CCC1 ZINC000825165163 609348151 /nfs/dbraw/zinc/34/81/51/609348151.db2.gz UQFYRCTYTRJVKU-UHFFFAOYSA-N -1 3 365.231 3.253 20 0 FGADHM CCC1(C(=O)OCc2ccc(-c3nn[n-]n3)cc2Br)CCC1 ZINC000825165163 609348153 /nfs/dbraw/zinc/34/81/53/609348153.db2.gz UQFYRCTYTRJVKU-UHFFFAOYSA-N -1 3 365.231 3.253 20 0 FGADHM COCC[C@H](N[C@H](C)c1ccc(-c2nnn[n-]2)cc1F)c1ccc(C)o1 ZINC000826154309 609349437 /nfs/dbraw/zinc/34/94/37/609349437.db2.gz MKGXVSYNMJGKFX-WBMJQRKESA-N -1 3 359.405 3.336 20 0 FGADHM COCC[C@H](N[C@H](C)c1ccc(-c2nn[n-]n2)cc1F)c1ccc(C)o1 ZINC000826154309 609349438 /nfs/dbraw/zinc/34/94/38/609349438.db2.gz MKGXVSYNMJGKFX-WBMJQRKESA-N -1 3 359.405 3.336 20 0 FGADHM CCC(CC)[C@@H]1C[C@H](NC(=O)Nc2cccc(-c3nnn[n-]3)c2C)CCO1 ZINC000825107482 609383359 /nfs/dbraw/zinc/38/33/59/609383359.db2.gz PGVMGIMSZCLPGE-PBHICJAKSA-N -1 3 372.473 3.280 20 0 FGADHM CCC(CC)[C@@H]1C[C@H](NC(=O)Nc2cccc(-c3nn[n-]n3)c2C)CCO1 ZINC000825107482 609383362 /nfs/dbraw/zinc/38/33/62/609383362.db2.gz PGVMGIMSZCLPGE-PBHICJAKSA-N -1 3 372.473 3.280 20 0 FGADHM O=C(c1ccccc1Oc1ccccc1-c1nnn[n-]1)N1C[C@H]2CCC[C@H]21 ZINC000826474099 609384361 /nfs/dbraw/zinc/38/43/61/609384361.db2.gz ACEPAVTUCFZIAH-CZUORRHYSA-N -1 3 361.405 3.284 20 0 FGADHM O=C(c1ccccc1Oc1ccccc1-c1nn[n-]n1)N1C[C@H]2CCC[C@H]21 ZINC000826474099 609384363 /nfs/dbraw/zinc/38/43/63/609384363.db2.gz ACEPAVTUCFZIAH-CZUORRHYSA-N -1 3 361.405 3.284 20 0 FGADHM Cc1ccc(N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)cc1C ZINC000826291349 609411212 /nfs/dbraw/zinc/41/12/12/609411212.db2.gz AYGIGLPFMPDUJT-SFHVURJKSA-N -1 3 362.437 3.091 20 0 FGADHM Cc1ccc(N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)cc1C ZINC000826291349 609411214 /nfs/dbraw/zinc/41/12/14/609411214.db2.gz AYGIGLPFMPDUJT-SFHVURJKSA-N -1 3 362.437 3.091 20 0 FGADHM C[C@H]1CC[C@]2(CCN(C(=O)C(C)(C)Oc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC000824915212 609412354 /nfs/dbraw/zinc/41/23/54/609412354.db2.gz CJRJQBFWKUSCTF-XOBRGWDASA-N -1 3 369.469 3.063 20 0 FGADHM C[C@H]1CC[C@]2(CCN(C(=O)C(C)(C)Oc3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC000824915212 609412356 /nfs/dbraw/zinc/41/23/56/609412356.db2.gz CJRJQBFWKUSCTF-XOBRGWDASA-N -1 3 369.469 3.063 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)C(C)=Cc1ccc(C)cc1 ZINC000826174022 609418258 /nfs/dbraw/zinc/41/82/58/609418258.db2.gz FYAPZGJZYOMGQN-RAXLEYEMSA-N -1 3 350.378 3.193 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)C(C)=Cc1ccc(C)cc1 ZINC000826174022 609418261 /nfs/dbraw/zinc/41/82/61/609418261.db2.gz FYAPZGJZYOMGQN-RAXLEYEMSA-N -1 3 350.378 3.193 20 0 FGADHM Fc1ccc(-n2ccc(CNc3ccc(-c4nn[n-]n4)cc3Cl)n2)cc1 ZINC000826373543 609439983 /nfs/dbraw/zinc/43/99/83/609439983.db2.gz QEBYZDLHVOIKDL-UHFFFAOYSA-N -1 3 369.791 3.457 20 0 FGADHM O=C(Nc1cccc(Cl)c1SC(F)F)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826456816 609453911 /nfs/dbraw/zinc/45/39/11/609453911.db2.gz YOXBXTFWIRESIG-UHFFFAOYSA-N -1 3 370.772 3.415 20 0 FGADHM O=C(Nc1cccc(Cl)c1SC(F)F)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826456816 609453913 /nfs/dbraw/zinc/45/39/13/609453913.db2.gz YOXBXTFWIRESIG-UHFFFAOYSA-N -1 3 370.772 3.415 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NCc1nc2ccccc2n1CC ZINC000825631559 609476892 /nfs/dbraw/zinc/47/68/92/609476892.db2.gz CYIHSQWWRLZWQE-UHFFFAOYSA-N -1 3 363.425 3.247 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NCc1nc2ccccc2n1CC ZINC000825631559 609476895 /nfs/dbraw/zinc/47/68/95/609476895.db2.gz CYIHSQWWRLZWQE-UHFFFAOYSA-N -1 3 363.425 3.247 20 0 FGADHM CCCOc1ccc(CNc2cc(-c3nnn[n-]3)ccc2OC)cc1OC ZINC000825338573 609480304 /nfs/dbraw/zinc/48/03/04/609480304.db2.gz DHPKPIHTBOSBPT-UHFFFAOYSA-N -1 3 369.425 3.285 20 0 FGADHM CCCOc1ccc(CNc2cc(-c3nn[n-]n3)ccc2OC)cc1OC ZINC000825338573 609480305 /nfs/dbraw/zinc/48/03/05/609480305.db2.gz DHPKPIHTBOSBPT-UHFFFAOYSA-N -1 3 369.425 3.285 20 0 FGADHM CC(C)OCCCC(=O)N(Cc1ccco1)c1ccccc1-c1nnn[n-]1 ZINC000824309145 609482686 /nfs/dbraw/zinc/48/26/86/609482686.db2.gz GPYBQRBZDWGADC-UHFFFAOYSA-N -1 3 369.425 3.198 20 0 FGADHM CC(C)OCCCC(=O)N(Cc1ccco1)c1ccccc1-c1nn[n-]n1 ZINC000824309145 609482689 /nfs/dbraw/zinc/48/26/89/609482689.db2.gz GPYBQRBZDWGADC-UHFFFAOYSA-N -1 3 369.425 3.198 20 0 FGADHM C[C@@H]1C[C@H](Nc2ccc(OCc3cccc(-c4nnn[n-]4)c3)cc2)CCO1 ZINC000824892991 609483012 /nfs/dbraw/zinc/48/30/12/609483012.db2.gz OJQOYWLZAGTCEI-RDTXWAMCSA-N -1 3 365.437 3.425 20 0 FGADHM C[C@@H]1C[C@H](Nc2ccc(OCc3cccc(-c4nn[n-]n4)c3)cc2)CCO1 ZINC000824892991 609483014 /nfs/dbraw/zinc/48/30/14/609483014.db2.gz OJQOYWLZAGTCEI-RDTXWAMCSA-N -1 3 365.437 3.425 20 0 FGADHM CCOc1cccc(CSCc2ccc(-c3nnn[n-]3)cc2OC)n1 ZINC000825648974 609489601 /nfs/dbraw/zinc/48/96/01/609489601.db2.gz INSKOCQMUPKZDW-UHFFFAOYSA-N -1 3 357.439 3.102 20 0 FGADHM CCOc1cccc(CSCc2ccc(-c3nn[n-]n3)cc2OC)n1 ZINC000825648974 609489602 /nfs/dbraw/zinc/48/96/02/609489602.db2.gz INSKOCQMUPKZDW-UHFFFAOYSA-N -1 3 357.439 3.102 20 0 FGADHM COc1ccc(CSc2nc3nc(C)ccc3o2)cc1-c1nnn[n-]1 ZINC000826208093 609490301 /nfs/dbraw/zinc/49/03/01/609490301.db2.gz SFSONPXWANBSEL-UHFFFAOYSA-N -1 3 354.395 3.012 20 0 FGADHM COc1ccc(CSc2nc3nc(C)ccc3o2)cc1-c1nn[n-]n1 ZINC000826208093 609490302 /nfs/dbraw/zinc/49/03/02/609490302.db2.gz SFSONPXWANBSEL-UHFFFAOYSA-N -1 3 354.395 3.012 20 0 FGADHM CC(C)Oc1ccc(NCc2cccc3c2OCCO3)cc1-c1nnn[n-]1 ZINC000824329661 609492068 /nfs/dbraw/zinc/49/20/68/609492068.db2.gz TZSLZAPRTYPWFG-UHFFFAOYSA-N -1 3 367.409 3.037 20 0 FGADHM CC(C)Oc1ccc(NCc2cccc3c2OCCO3)cc1-c1nn[n-]n1 ZINC000824329661 609492070 /nfs/dbraw/zinc/49/20/70/609492070.db2.gz TZSLZAPRTYPWFG-UHFFFAOYSA-N -1 3 367.409 3.037 20 0 FGADHM CC[C@@H](C)c1ccccc1OS(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000825075885 609509614 /nfs/dbraw/zinc/50/96/14/609509614.db2.gz SEKVMWIGAZBTPD-CYBMUJFWSA-N -1 3 372.450 3.289 20 0 FGADHM CC[C@@H](C)c1ccccc1OS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000825075885 609509615 /nfs/dbraw/zinc/50/96/15/609509615.db2.gz SEKVMWIGAZBTPD-CYBMUJFWSA-N -1 3 372.450 3.289 20 0 FGADHM CCNc1ccc(-c2nn[n-]n2)cc1NCCCc1ccccc1OC ZINC000825480969 609509983 /nfs/dbraw/zinc/50/99/83/609509983.db2.gz OZANALNZWOPSQW-UHFFFAOYSA-N -1 3 352.442 3.352 20 0 FGADHM C[C@@H]1CCC[C@H]1C(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000824929157 609512742 /nfs/dbraw/zinc/51/27/42/609512742.db2.gz WSCCDXCRJKGEJX-ZYHUDNBSSA-N -1 3 371.832 3.081 20 0 FGADHM C[C@@H]1CCC[C@H]1C(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000824929157 609512744 /nfs/dbraw/zinc/51/27/44/609512744.db2.gz WSCCDXCRJKGEJX-ZYHUDNBSSA-N -1 3 371.832 3.081 20 0 FGADHM CCC[C@H]1C[C@@H](C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)CCO1 ZINC000825251629 609522238 /nfs/dbraw/zinc/52/22/38/609522238.db2.gz DAQMPFIBJXCABD-ROUUACIJSA-N -1 3 371.485 3.199 20 0 FGADHM CCC[C@H]1C[C@@H](C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)CCO1 ZINC000825251629 609522239 /nfs/dbraw/zinc/52/22/39/609522239.db2.gz DAQMPFIBJXCABD-ROUUACIJSA-N -1 3 371.485 3.199 20 0 FGADHM COc1ccc(N(C#N)Cc2ccc(OC)c(-c3nnn[n-]3)c2)cc1Cl ZINC000826209126 609524005 /nfs/dbraw/zinc/52/40/05/609524005.db2.gz NQQCTZJPWCNQTH-UHFFFAOYSA-N -1 3 370.800 3.025 20 0 FGADHM COc1ccc(N(C#N)Cc2ccc(OC)c(-c3nn[n-]n3)c2)cc1Cl ZINC000826209126 609524007 /nfs/dbraw/zinc/52/40/07/609524007.db2.gz NQQCTZJPWCNQTH-UHFFFAOYSA-N -1 3 370.800 3.025 20 0 FGADHM CCOc1ccc([C@H]2CCCN2c2nccc(C)c2-c2nnn[n-]2)cc1 ZINC000825639177 609524166 /nfs/dbraw/zinc/52/41/66/609524166.db2.gz SEPZFAQXAQZUGZ-MRXNPFEDSA-N -1 3 350.426 3.310 20 0 FGADHM CCOc1ccc([C@H]2CCCN2c2nccc(C)c2-c2nn[n-]n2)cc1 ZINC000825639177 609524169 /nfs/dbraw/zinc/52/41/69/609524169.db2.gz SEPZFAQXAQZUGZ-MRXNPFEDSA-N -1 3 350.426 3.310 20 0 FGADHM CCN(CC)c1ccc(CNc2ncc(Cl)c(C)c2-c2nnn[n-]2)cn1 ZINC000825416713 609533627 /nfs/dbraw/zinc/53/36/27/609533627.db2.gz LLRFCBLRNMBHDH-UHFFFAOYSA-N -1 3 372.864 3.077 20 0 FGADHM CCN(CC)c1ccc(CNc2ncc(Cl)c(C)c2-c2nn[n-]n2)cn1 ZINC000825416713 609533629 /nfs/dbraw/zinc/53/36/29/609533629.db2.gz LLRFCBLRNMBHDH-UHFFFAOYSA-N -1 3 372.864 3.077 20 0 FGADHM Cc1ccnc(NCc2sccc2Br)c1-c1nnn[n-]1 ZINC000826314922 609542684 /nfs/dbraw/zinc/54/26/84/609542684.db2.gz RVTUPKMKEHCORW-UHFFFAOYSA-N -1 3 351.233 3.006 20 0 FGADHM Cc1ccnc(NCc2sccc2Br)c1-c1nn[n-]n1 ZINC000826314922 609542686 /nfs/dbraw/zinc/54/26/86/609542686.db2.gz RVTUPKMKEHCORW-UHFFFAOYSA-N -1 3 351.233 3.006 20 0 FGADHM COc1cccc2c1OCC[C@@H]2Nc1ncc(Cl)c(C)c1-c1nnn[n-]1 ZINC000826218000 609545468 /nfs/dbraw/zinc/54/54/68/609545468.db2.gz KVMOKRSTXZQDNM-LBPRGKRZSA-N -1 3 372.816 3.168 20 0 FGADHM COc1cccc2c1OCC[C@@H]2Nc1ncc(Cl)c(C)c1-c1nn[n-]n1 ZINC000826218000 609545470 /nfs/dbraw/zinc/54/54/70/609545470.db2.gz KVMOKRSTXZQDNM-LBPRGKRZSA-N -1 3 372.816 3.168 20 0 FGADHM Cc1c(Cl)cnc(N2CC[C@@H](c3cccc(F)c3)C2)c1-c1nnn[n-]1 ZINC000826237527 609548726 /nfs/dbraw/zinc/54/87/26/609548726.db2.gz CNXDZYZFSQCKQU-GFCCVEGCSA-N -1 3 358.808 3.357 20 0 FGADHM Cc1c(Cl)cnc(N2CC[C@@H](c3cccc(F)c3)C2)c1-c1nn[n-]n1 ZINC000826237527 609548728 /nfs/dbraw/zinc/54/87/28/609548728.db2.gz CNXDZYZFSQCKQU-GFCCVEGCSA-N -1 3 358.808 3.357 20 0 FGADHM Cc1ccnc(N[C@H]2COc3c2ccc(Cl)c3Cl)c1-c1nnn[n-]1 ZINC000826312313 609562384 /nfs/dbraw/zinc/56/23/84/609562384.db2.gz BCUPEQAZBFBYSR-JTQLQIEISA-N -1 3 363.208 3.423 20 0 FGADHM Cc1ccnc(N[C@H]2COc3c2ccc(Cl)c3Cl)c1-c1nn[n-]n1 ZINC000826312313 609562385 /nfs/dbraw/zinc/56/23/85/609562385.db2.gz BCUPEQAZBFBYSR-JTQLQIEISA-N -1 3 363.208 3.423 20 0 FGADHM CCc1nnc(N[C@@H]2CCCc3nc(C)sc32)c(-c2nnn[n-]2)c1CC ZINC000825767302 609564332 /nfs/dbraw/zinc/56/43/32/609564332.db2.gz JWHZLZVKTSAAFT-CYBMUJFWSA-N -1 3 370.486 3.036 20 0 FGADHM CCc1nnc(N[C@@H]2CCCc3nc(C)sc32)c(-c2nn[n-]n2)c1CC ZINC000825767302 609564333 /nfs/dbraw/zinc/56/43/33/609564333.db2.gz JWHZLZVKTSAAFT-CYBMUJFWSA-N -1 3 370.486 3.036 20 0 FGADHM Cc1nc2c(s1)[C@@H](Nc1c(-c3nnn[n-]3)cnc3ccccc31)CCC2 ZINC000826328395 609566394 /nfs/dbraw/zinc/56/63/94/609566394.db2.gz PXTWKEFZUMWMSG-HNNXBMFYSA-N -1 3 363.450 3.091 20 0 FGADHM Cc1nc2c(s1)[C@@H](Nc1c(-c3nn[n-]n3)cnc3ccccc31)CCC2 ZINC000826328395 609566396 /nfs/dbraw/zinc/56/63/96/609566396.db2.gz PXTWKEFZUMWMSG-HNNXBMFYSA-N -1 3 363.450 3.091 20 0 FGADHM Cc1c(Cl)cnc(N2CCS[C@@H]3CCCC[C@H]32)c1-c1nnn[n-]1 ZINC000826239183 609572193 /nfs/dbraw/zinc/57/21/93/609572193.db2.gz ZKUKCTVNFPHCIX-VXGBXAGGSA-N -1 3 350.879 3.088 20 0 FGADHM Cc1c(Cl)cnc(N2CCS[C@@H]3CCCC[C@H]32)c1-c1nn[n-]n1 ZINC000826239183 609572196 /nfs/dbraw/zinc/57/21/96/609572196.db2.gz ZKUKCTVNFPHCIX-VXGBXAGGSA-N -1 3 350.879 3.088 20 0 FGADHM Cc1cccc(CC2CN(c3ncc(Cl)c(C)c3-c3nnn[n-]3)C2)c1 ZINC000826297579 609575368 /nfs/dbraw/zinc/57/53/68/609575368.db2.gz LVOMCSKRFTVIBK-UHFFFAOYSA-N -1 3 354.845 3.211 20 0 FGADHM Cc1cccc(CC2CN(c3ncc(Cl)c(C)c3-c3nn[n-]n3)C2)c1 ZINC000826297579 609575370 /nfs/dbraw/zinc/57/53/70/609575370.db2.gz LVOMCSKRFTVIBK-UHFFFAOYSA-N -1 3 354.845 3.211 20 0 FGADHM Cc1c(Cl)cnc(N[C@@H]2COc3ccc(Cl)cc32)c1-c1nnn[n-]1 ZINC000826239325 609577166 /nfs/dbraw/zinc/57/71/66/609577166.db2.gz DFEITHPSVZNGMN-LLVKDONJSA-N -1 3 363.208 3.423 20 0 FGADHM Cc1c(Cl)cnc(N[C@@H]2COc3ccc(Cl)cc32)c1-c1nn[n-]n1 ZINC000826239325 609577168 /nfs/dbraw/zinc/57/71/68/609577168.db2.gz DFEITHPSVZNGMN-LLVKDONJSA-N -1 3 363.208 3.423 20 0 FGADHM Cc1ccccc1CN(Cc1cccnc1)c1nccc(C)c1-c1nnn[n-]1 ZINC000826306952 609581203 /nfs/dbraw/zinc/58/12/03/609581203.db2.gz RALFFZODHVFZBI-UHFFFAOYSA-N -1 3 371.448 3.480 20 0 FGADHM Cc1ccccc1CN(Cc1cccnc1)c1nccc(C)c1-c1nn[n-]n1 ZINC000826306952 609581206 /nfs/dbraw/zinc/58/12/06/609581206.db2.gz RALFFZODHVFZBI-UHFFFAOYSA-N -1 3 371.448 3.480 20 0 FGADHM COc1ccccc1CCCn1ccc(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826219743 609584854 /nfs/dbraw/zinc/58/48/54/609584854.db2.gz PEYPPXWRXACHQK-UHFFFAOYSA-N -1 3 360.421 3.372 20 0 FGADHM COc1ccccc1CCCn1ccc(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826219743 609584857 /nfs/dbraw/zinc/58/48/57/609584857.db2.gz PEYPPXWRXACHQK-UHFFFAOYSA-N -1 3 360.421 3.372 20 0 FGADHM Cc1c(Cl)cnc(N2CC[C@@H](COc3ccccc3)C2)c1-c1nnn[n-]1 ZINC000826237519 609586136 /nfs/dbraw/zinc/58/61/36/609586136.db2.gz CIBQAKJJQBVCON-CYBMUJFWSA-N -1 3 370.844 3.129 20 0 FGADHM Cc1c(Cl)cnc(N2CC[C@@H](COc3ccccc3)C2)c1-c1nn[n-]n1 ZINC000826237519 609586138 /nfs/dbraw/zinc/58/61/38/609586138.db2.gz CIBQAKJJQBVCON-CYBMUJFWSA-N -1 3 370.844 3.129 20 0 FGADHM FC(F)(F)c1ccc(N2CCC([C@@H]3CCOC3)CC2)c(-c2nnn[n-]2)c1 ZINC000826368642 609591669 /nfs/dbraw/zinc/59/16/69/609591669.db2.gz XMDUMLPXCIPGOE-GFCCVEGCSA-N -1 3 367.375 3.138 20 0 FGADHM FC(F)(F)c1ccc(N2CCC([C@@H]3CCOC3)CC2)c(-c2nn[n-]n2)c1 ZINC000826368642 609591670 /nfs/dbraw/zinc/59/16/70/609591670.db2.gz XMDUMLPXCIPGOE-GFCCVEGCSA-N -1 3 367.375 3.138 20 0 FGADHM CCC[C@H]1C[C@H](C(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)CCO1 ZINC000825254196 609593685 /nfs/dbraw/zinc/59/36/85/609593685.db2.gz RCRAGVMZWYJKAC-YPMHNXCESA-N -1 3 363.849 3.078 20 0 FGADHM CCC[C@H]1C[C@H](C(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)CCO1 ZINC000825254196 609593687 /nfs/dbraw/zinc/59/36/87/609593687.db2.gz RCRAGVMZWYJKAC-YPMHNXCESA-N -1 3 363.849 3.078 20 0 FGADHM Cc1ccc2c(c1)[C@@H](NC(=O)c1c(F)cc(-c3nnn[n-]3)cc1F)[C@@H](C)C2 ZINC000826294591 609625916 /nfs/dbraw/zinc/62/59/16/609625916.db2.gz WHRLTNVKILUPSL-BTDLBPIBSA-N -1 3 369.375 3.117 20 0 FGADHM Cc1ccc2c(c1)[C@@H](NC(=O)c1c(F)cc(-c3nn[n-]n3)cc1F)[C@@H](C)C2 ZINC000826294591 609625917 /nfs/dbraw/zinc/62/59/17/609625917.db2.gz WHRLTNVKILUPSL-BTDLBPIBSA-N -1 3 369.375 3.117 20 0 FGADHM CCCNC(=S)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000006361945 695556628 /nfs/dbraw/zinc/55/66/28/695556628.db2.gz OWHASQSODWZBNH-UHFFFAOYSA-N -1 3 363.508 3.492 20 0 FGADHM O=S(=O)([N-]Cc1ccc(OC(F)(F)F)cc1)c1ccc(F)cc1F ZINC000010683444 695592762 /nfs/dbraw/zinc/59/27/62/695592762.db2.gz RTWUDXHTYUXPFJ-UHFFFAOYSA-N -1 3 367.295 3.342 20 0 FGADHM O=C(COC(=O)c1cc2ccsc2[n-]1)N1CCC(c2ccccc2)=N1 ZINC000023346440 695661316 /nfs/dbraw/zinc/66/13/16/695661316.db2.gz PDRIRXAWDDOOFE-UHFFFAOYSA-N -1 3 353.403 3.023 20 0 FGADHM O=C(Cc1c[nH]c2ccccc12)N[N-]C(=O)c1cccc(Cl)c1Cl ZINC000024454236 695667540 /nfs/dbraw/zinc/66/75/40/695667540.db2.gz LTECUQBFPVJYJZ-UHFFFAOYSA-N -1 3 362.216 3.478 20 0 FGADHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(C)cc(C)c2)ccc1F ZINC000028999135 695707746 /nfs/dbraw/zinc/70/77/46/695707746.db2.gz DTQQOUWSYWFACZ-UHFFFAOYSA-N -1 3 362.426 3.159 20 0 FGADHM O=C1[N-]C(=O)/C(=C/N[C@H]2CCSc3c(F)cccc32)c2ccccc21 ZINC000032584928 695746603 /nfs/dbraw/zinc/74/66/03/695746603.db2.gz NJTQRCCFLUNICI-DKGMDFAASA-N -1 3 354.406 3.263 20 0 FGADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]Cc1cccc(Cl)c1Cl ZINC000033933169 695751403 /nfs/dbraw/zinc/75/14/03/695751403.db2.gz HWWMHOOXWXKUAO-UHFFFAOYSA-N -1 3 368.673 3.167 20 0 FGADHM C[C@H](Oc1cccc(Cl)c1)C(=O)N[N-]C(=O)c1ccc(F)cc1Cl ZINC000041943301 695770293 /nfs/dbraw/zinc/77/02/93/695770293.db2.gz RSDOXXIXDPWBDF-VIFPVBQESA-N -1 3 371.195 3.361 20 0 FGADHM COc1cc[n-]c(=NNC(=O)CSc2cc(Cl)ccc2Cl)n1 ZINC000046363278 695838743 /nfs/dbraw/zinc/83/87/43/695838743.db2.gz NIQWYBJGXGVLEG-UHFFFAOYSA-N -1 3 359.238 3.027 20 0 FGADHM O=c1[n-]nc(SCc2cccc(C(F)(F)F)c2)n1C[C@H]1CCCO1 ZINC000072099283 695959704 /nfs/dbraw/zinc/95/97/04/695959704.db2.gz FSYSFBIZUBLQGZ-GFCCVEGCSA-N -1 3 359.373 3.062 20 0 FGADHM CC[C@@H]1CCCC[C@H]1NC(=O)N[N-]C(=O)c1ccccc1Br ZINC000079542163 700301159 /nfs/dbraw/zinc/30/11/59/700301159.db2.gz DINOUWCAEPMWOE-BXUZGUMPSA-N -1 3 368.275 3.362 20 0 FGADHM COC(=O)CN(Cc1sccc1OC)Cc1cc(Cl)ccc1[O-] ZINC000093277040 700449500 /nfs/dbraw/zinc/44/95/00/700449500.db2.gz QVVSFHLHLSULHC-UHFFFAOYSA-N -1 3 355.843 3.291 20 0 FGADHM C[C@@H]1CCC[C@@H](C)N1C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000103367119 700484166 /nfs/dbraw/zinc/48/41/66/700484166.db2.gz CEPRBTPOAOAMAG-CHWSQXEVSA-N -1 3 370.490 3.306 20 0 FGADHM COc1ccc(CC(=O)[N-]OCc2ccc(F)cc2Cl)cc1OC ZINC000112336327 700558764 /nfs/dbraw/zinc/55/87/64/700558764.db2.gz SGBQSRFKGXLEQT-UHFFFAOYSA-N -1 3 353.777 3.287 20 0 FGADHM CC(C)(C)[S@](=O)CCNC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000112394283 700559039 /nfs/dbraw/zinc/55/90/39/700559039.db2.gz VZRWLMNHTUIFOR-VWLOTQADSA-N -1 3 359.491 3.260 20 0 FGADHM CCc1ccc([O-])c(C(=O)Nc2cccc(C[S@@](=O)CCOC)c2)c1 ZINC000116987124 700599307 /nfs/dbraw/zinc/59/93/07/700599307.db2.gz FKKQORNFXZCHFM-RUZDIDTESA-N -1 3 361.463 3.102 20 0 FGADHM O=C(CSc1ccc2c(c1)CCC2)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000123595487 700707294 /nfs/dbraw/zinc/70/72/94/700707294.db2.gz AXVJATHBTSRZTA-UHFFFAOYSA-N -1 3 351.435 3.086 20 0 FGADHM O=C(CSc1ccc2c(c1)CCC2)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000123595487 700707295 /nfs/dbraw/zinc/70/72/95/700707295.db2.gz AXVJATHBTSRZTA-UHFFFAOYSA-N -1 3 351.435 3.086 20 0 FGADHM Cc1cc(C(=O)NCc2ccc([O-])c(Br)c2)cc(Cl)n1 ZINC000132351565 700826686 /nfs/dbraw/zinc/82/66/86/700826686.db2.gz SGGRYYLUYPUPCO-UHFFFAOYSA-N -1 3 355.619 3.442 20 0 FGADHM O=S(=O)([N-]N=c1ccc(C(F)(F)F)c[nH]1)C1=Cc2ccccc2CC1 ZINC000138806340 704875484 /nfs/dbraw/zinc/87/54/84/704875484.db2.gz YWPVZSGFLJTNTA-UHFFFAOYSA-N -1 3 369.368 3.334 20 0 FGADHM C#Cc1cccc(NC(=O)C[N-]C(=O)C(F)(F)c2cccc(Cl)c2)c1 ZINC000149416065 704897995 /nfs/dbraw/zinc/89/79/95/704897995.db2.gz CAMGGSNHGRUAQH-UHFFFAOYSA-N -1 3 362.763 3.168 20 0 FGADHM CC/C=C(/C)C(=O)N1CSC[C@H]1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000153480464 705000701 /nfs/dbraw/zinc/00/07/01/705000701.db2.gz FYPGNLFUSSHXEG-FSIMMPEJSA-N -1 3 354.859 3.242 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)NC[C@@H](O)c1c(Cl)cccc1Cl ZINC000155415542 705076477 /nfs/dbraw/zinc/07/64/77/705076477.db2.gz UZAIEOYXLJFOFG-CQSZACIVSA-N -1 3 373.211 3.371 20 0 FGADHM C[N-]S(=O)(=O)c1cc(C(=O)N(C)c2ccc(C(C)C)cc2)ccc1F ZINC000155799235 705091392 /nfs/dbraw/zinc/09/13/92/705091392.db2.gz VZOKKZOUNLSJTR-UHFFFAOYSA-N -1 3 364.442 3.134 20 0 FGADHM CS[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2cc(F)ccc2Br)C1 ZINC000156421622 705115577 /nfs/dbraw/zinc/11/55/77/705115577.db2.gz XTXDUCNUDPUXRC-NXEZZACHSA-N -1 3 368.293 3.151 20 0 FGADHM O=S(=O)([N-]CC1(CO)CCCCC1)c1cc(Cl)ccc1Cl ZINC000157668352 705160417 /nfs/dbraw/zinc/16/04/17/705160417.db2.gz DZUBYUPIZWAJIH-UHFFFAOYSA-N -1 3 352.283 3.215 20 0 FGADHM O=S(=O)([N-]C[C@@H](O)c1ccccc1F)c1c(Cl)cccc1Cl ZINC000159094647 705210653 /nfs/dbraw/zinc/21/06/53/705210653.db2.gz IHNMBJLAUAXTGB-CYBMUJFWSA-N -1 3 364.225 3.144 20 0 FGADHM O=S(=O)([N-]CC1([C@H](O)c2ccccc2)CC1)c1ccc(Cl)s1 ZINC000159249774 705216519 /nfs/dbraw/zinc/21/65/19/705216519.db2.gz KHRNUHOBDAEAAH-CQSZACIVSA-N -1 3 357.884 3.194 20 0 FGADHM CCOc1cc(Br)ccc1NC([O-])=NO[C@@H]1CCCCO1 ZINC000163163278 705309903 /nfs/dbraw/zinc/30/99/03/705309903.db2.gz ZFQAJBXMZRFMJK-CYBMUJFWSA-N -1 3 359.220 3.428 20 0 FGADHM CCOc1cc(Br)ccc1NC(=O)[N-]O[C@@H]1CCCCO1 ZINC000163163278 705309907 /nfs/dbraw/zinc/30/99/07/705309907.db2.gz 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721964640 /nfs/dbraw/zinc/96/46/40/721964640.db2.gz DPLQQHWNOIVVKB-UHFFFAOYSA-N -1 3 370.883 3.196 20 0 FGADHM Cc1nccc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)c1Cl ZINC000679648152 722038407 /nfs/dbraw/zinc/03/84/07/722038407.db2.gz RKGKHOUBMFFCEV-UHFFFAOYSA-N -1 3 350.749 3.285 20 0 FGADHM Cc1c(-c2ccccc2)sc2[n-]c(CS(=O)(=O)C3CC3)nc(=O)c12 ZINC000682412556 722245815 /nfs/dbraw/zinc/24/58/15/722245815.db2.gz NKDJOVDENYNUFW-UHFFFAOYSA-N -1 3 360.460 3.450 20 0 FGADHM CC(C)n1ccc(C[N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)n1 ZINC000682724517 722262987 /nfs/dbraw/zinc/26/29/87/722262987.db2.gz DKYDBUWRTXHXPJ-UHFFFAOYSA-N -1 3 366.245 3.388 20 0 FGADHM COc1ccc([C@@H](CC(=O)[O-])NCc2cncc(Br)c2)cc1 ZINC000683171834 722283880 /nfs/dbraw/zinc/28/38/80/722283880.db2.gz QKDMTWPXAFDTAT-OAHLLOKOSA-N -1 3 365.227 3.158 20 0 FGADHM CCc1ccccc1Cc1noc(-c2ccc([N-]S(C)(=O)=O)cc2)n1 ZINC000683598997 722302296 /nfs/dbraw/zinc/30/22/96/722302296.db2.gz QZQGSYHITYPDOT-UHFFFAOYSA-N -1 3 357.435 3.261 20 0 FGADHM O=C(NCc1ncccc1[O-])[C@@H]1C[C@]12CCc1cc(Br)ccc12 ZINC000684984345 722370294 /nfs/dbraw/zinc/37/02/94/722370294.db2.gz DBQSNKMICPVTIZ-KSSFIOAISA-N -1 3 373.250 3.070 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]C[C@]2(C)OCCc3sccc32)c(F)cc1F ZINC000685603044 722393577 /nfs/dbraw/zinc/39/35/77/722393577.db2.gz PQGBAMISEBXFQB-INIZCTEOSA-N -1 3 373.446 3.101 20 0 FGADHM O=S(=O)([N-][C@H]1C[C@@H]1c1cccc(F)c1)c1ccc(Cl)nc1Cl ZINC000725828104 722424191 /nfs/dbraw/zinc/42/41/91/722424191.db2.gz VWZCACUZZVUPPN-MNOVXSKESA-N -1 3 361.225 3.362 20 0 FGADHM Cc1cc(C)cc(COC(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)c1 ZINC000725993260 722427666 /nfs/dbraw/zinc/42/76/66/722427666.db2.gz LKCIVXIBUQSUPI-UHFFFAOYSA-N -1 3 351.399 3.171 20 0 FGADHM C[C@H]1C[C@H](CC(=O)OCC(=O)[N-]C(=O)c2cccs2)CC(C)(C)C1 ZINC000727556922 722445512 /nfs/dbraw/zinc/44/55/12/722445512.db2.gz FNEUFKMUIRBLKV-QWHCGFSZSA-N -1 3 351.468 3.400 20 0 FGADHM O=S(=O)([N-]C[C@H]1CC1(Cl)Cl)c1cc(C(F)(F)F)ccc1F ZINC000728579619 722452730 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O=S(=O)([N-]CCCc1cccc(F)c1)c1cnc(Cl)c(Cl)c1 ZINC000738377861 722530133 /nfs/dbraw/zinc/53/01/33/722530133.db2.gz NDXVTVJPTQCTFB-UHFFFAOYSA-N -1 3 363.241 3.439 20 0 FGADHM C[C@H](C[N-]S(=O)(=O)c1cccc(Cl)c1Cl)CC1(C)OCCO1 ZINC000741158382 722543140 /nfs/dbraw/zinc/54/31/40/722543140.db2.gz QOEUCLVFIZHWPK-JTQLQIEISA-N -1 3 368.282 3.061 20 0 FGADHM COC(=O)C[C@@H](NC(=O)c1ccc(OC)cc1[O-])c1cccc(Cl)c1 ZINC000744383126 722576437 /nfs/dbraw/zinc/57/64/37/722576437.db2.gz FBNWYNHZXFKONI-OAHLLOKOSA-N -1 3 363.797 3.088 20 0 FGADHM CC[C@@](C)(CCC[N-]S(=O)(=O)c1ccc(Cl)s1)C1OCCO1 ZINC000748071659 722674271 /nfs/dbraw/zinc/67/42/71/722674271.db2.gz QKJAPVMWZQHYFE-AWEZNQCLSA-N -1 3 367.920 3.249 20 0 FGADHM COc1ccc(C(=O)COC(=O)c2cc(F)cc(Cl)c2[O-])c(OC)c1 ZINC000748476502 722692987 /nfs/dbraw/zinc/69/29/87/722692987.db2.gz PSBJHLMALUIULV-UHFFFAOYSA-N -1 3 368.744 3.242 20 0 FGADHM COC(=O)c1c(F)ccc(S(=O)(=O)[N-]CCCCC(C)(C)C)c1F ZINC000749176916 722718778 /nfs/dbraw/zinc/71/87/78/722718778.db2.gz 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CCOc1ccccc1C(F)(F)C(=O)[N-][C@H](C)COCC(F)(F)F ZINC000753512020 722902388 /nfs/dbraw/zinc/90/23/88/722902388.db2.gz XAXPEHNLFSVTMU-SNVBAGLBSA-N -1 3 355.303 3.261 20 0 FGADHM O=C([N-]c1nc2c(s1)C(=O)CCC2)c1scnc1Br ZINC000754216925 722931497 /nfs/dbraw/zinc/93/14/97/722931497.db2.gz WCKMUPQOTMGBCZ-UHFFFAOYSA-N -1 3 358.242 3.133 20 0 FGADHM COCCn1c2ccc(Cl)cc2nc1SCc1nc(C)cc(=O)[n-]1 ZINC000754450151 722938786 /nfs/dbraw/zinc/93/87/86/722938786.db2.gz IRBBELMGPVVVRV-UHFFFAOYSA-N -1 3 364.858 3.432 20 0 FGADHM O=C([O-])[C@H](CC(=O)OCc1ccccc1)NCc1cc(Cl)ccc1F ZINC000756341439 722963061 /nfs/dbraw/zinc/96/30/61/722963061.db2.gz XWWFWABNZFTSLV-INIZCTEOSA-N -1 3 365.788 3.155 20 0 FGADHM CC[C@H](C)COC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000756372469 722963540 /nfs/dbraw/zinc/96/35/40/722963540.db2.gz GXFGPHFYMGEKOO-NSHDSACASA-N -1 3 354.403 3.158 20 0 FGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCCCC2(C)C)ccc1F ZINC000757763636 722979417 /nfs/dbraw/zinc/97/94/17/722979417.db2.gz JXSDVGFFLIJVPF-INIZCTEOSA-N -1 3 370.490 3.211 20 0 FGADHM O=c1[nH]c2ccc(S(=O)(=O)[N-][C@H](c3ccccc3)C(F)(F)F)cc2o1 ZINC000758415870 722989340 /nfs/dbraw/zinc/98/93/40/722989340.db2.gz PWAJDGIFTPSUOZ-CYBMUJFWSA-N -1 3 372.324 3.115 20 0 FGADHM CCCCCS(=O)(=O)[N-]C[C@@](O)(c1ccc(Cl)cc1)C(F)(F)F ZINC000759052176 722998757 /nfs/dbraw/zinc/99/87/57/722998757.db2.gz XTWGPSUHVKQZJI-CYBMUJFWSA-N -1 3 373.824 3.200 20 0 FGADHM O=C(Nc1cc(I)ccc1[O-])[C@@H]1CC1(Cl)Cl ZINC000759710804 723017992 /nfs/dbraw/zinc/01/79/92/723017992.db2.gz NUOIOCXMYVOORI-LURJTMIESA-N -1 3 371.989 3.129 20 0 FGADHM COC(=O)CCCCCCC[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000759797701 723021666 /nfs/dbraw/zinc/02/16/66/723021666.db2.gz SXWRUOCIGINRMT-UHFFFAOYSA-N -1 3 365.854 3.271 20 0 FGADHM CC(C)(C)OC(=O)N1CCSC[C@@H]1CC(=O)Nc1cccc([O-])c1F ZINC000762321728 723233807 /nfs/dbraw/zinc/23/38/07/723233807.db2.gz VFIKECBUGMLDEZ-NSHDSACASA-N -1 3 370.446 3.212 20 0 FGADHM O=C(OCCCCCF)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000791727788 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[O-]c1ccc(F)c(CNC[C@H](O)c2ccc(OC(F)(F)F)cc2)c1F ZINC000816544955 727173857 /nfs/dbraw/zinc/17/38/57/727173857.db2.gz YJECOYFWSUJFBF-AWEZNQCLSA-N -1 3 363.282 3.392 20 0 FGADHM [O-]c1ccc(F)c(CNC[C@H](O)c2cccc(Br)c2)c1F ZINC000816600288 727179402 /nfs/dbraw/zinc/17/94/02/727179402.db2.gz ROABTKUONSAATI-AWEZNQCLSA-N -1 3 358.182 3.256 20 0 FGADHM CSc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCCN3C)cc1 ZINC000818284637 727305461 /nfs/dbraw/zinc/30/54/61/727305461.db2.gz KWGFHWRYKGBZBP-UHFFFAOYSA-N -1 3 350.465 3.038 20 0 FGADHM Cc1nn(CC(F)F)cc1C(=O)Nc1c(C)c(Br)ccc1[O-] ZINC000820980063 729047877 /nfs/dbraw/zinc/04/78/77/729047877.db2.gz BQAMEINXOPAECX-UHFFFAOYSA-N -1 3 374.185 3.485 20 0 FGADHM COc1cccc(S([O-])=CC(=O)OCCOC2CCCCCC2)c1 ZINC000821352823 729079493 /nfs/dbraw/zinc/07/94/93/729079493.db2.gz PJHIDWSWQAKGGA-DEOSSOPVSA-N -1 3 354.468 3.085 20 0 FGADHM CSc1ccc(C)c(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000821979429 729137077 /nfs/dbraw/zinc/13/70/77/729137077.db2.gz SDDWGXQDUGTWNX-UHFFFAOYSA-N -1 3 357.414 3.313 20 0 FGADHM CSc1ccc(C)c(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000821979429 729137081 /nfs/dbraw/zinc/13/70/81/729137081.db2.gz SDDWGXQDUGTWNX-UHFFFAOYSA-N -1 3 357.414 3.313 20 0 FGADHM Cc1cccc(Cl)c1NC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000822304118 729160705 /nfs/dbraw/zinc/16/07/05/729160705.db2.gz QDFQIQBUQHRVST-NSHDSACASA-N -1 3 357.801 3.235 20 0 FGADHM Cc1cccc(Cl)c1NC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000822304118 729160707 /nfs/dbraw/zinc/16/07/07/729160707.db2.gz QDFQIQBUQHRVST-NSHDSACASA-N -1 3 357.801 3.235 20 0 FGADHM FC(F)CN(Cc1ccccc1)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000822733369 729214636 /nfs/dbraw/zinc/21/46/36/729214636.db2.gz ZMVTYOVMILVQRH-UHFFFAOYSA-N -1 3 350.760 3.187 20 0 FGADHM FC(F)CN(Cc1ccccc1)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000822733369 729214637 /nfs/dbraw/zinc/21/46/37/729214637.db2.gz ZMVTYOVMILVQRH-UHFFFAOYSA-N -1 3 350.760 3.187 20 0 FGADHM Brc1ccc(NCCCc2nccs2)c(-c2nnn[n-]2)c1 ZINC000823832542 729307919 /nfs/dbraw/zinc/30/79/19/729307919.db2.gz QORZSXFXYGAYKZ-UHFFFAOYSA-N -1 3 365.260 3.130 20 0 FGADHM Brc1ccc(NCCCc2nccs2)c(-c2nn[n-]n2)c1 ZINC000823832542 729307922 /nfs/dbraw/zinc/30/79/22/729307922.db2.gz QORZSXFXYGAYKZ-UHFFFAOYSA-N -1 3 365.260 3.130 20 0 FGADHM C[C@@H](CN(C)c1ccc2cc(-c3nnn[n-]3)ccc2n1)c1nccs1 ZINC000824414183 729336502 /nfs/dbraw/zinc/33/65/02/729336502.db2.gz WPGOHGOEULMUBY-NSHDSACASA-N -1 3 351.439 3.111 20 0 FGADHM C[C@@H](CN(C)c1ccc2cc(-c3nn[n-]n3)ccc2n1)c1nccs1 ZINC000824414183 729336505 /nfs/dbraw/zinc/33/65/05/729336505.db2.gz WPGOHGOEULMUBY-NSHDSACASA-N -1 3 351.439 3.111 20 0 FGADHM CCC(CC)c1nnc(NCc2ccc(OC)c(-c3nnn[n-]3)c2)s1 ZINC000825115461 729371449 /nfs/dbraw/zinc/37/14/49/729371449.db2.gz ZJKAXGVGJRIOOA-UHFFFAOYSA-N -1 3 359.459 3.243 20 0 FGADHM CCC(CC)c1nnc(NCc2ccc(OC)c(-c3nn[n-]n3)c2)s1 ZINC000825115461 729371450 /nfs/dbraw/zinc/37/14/50/729371450.db2.gz ZJKAXGVGJRIOOA-UHFFFAOYSA-N -1 3 359.459 3.243 20 0 FGADHM CSc1ccc([O-])c(C(=O)N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC000825214618 729374808 /nfs/dbraw/zinc/37/48/08/729374808.db2.gz IKXRDNUGKASEMH-LBPRGKRZSA-N -1 3 366.483 3.101 20 0 FGADHM O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)c1snc(Cl)c1Cl ZINC000825304976 729377824 /nfs/dbraw/zinc/37/78/24/729377824.db2.gz POQBJEBLTNNKLF-UHFFFAOYSA-N -1 3 359.238 3.143 20 0 FGADHM CCCc1cc(NC(=O)c2c(Cl)cc(-c3nnn[n-]3)cc2Cl)n[nH]1 ZINC000825348542 729379864 /nfs/dbraw/zinc/37/98/64/729379864.db2.gz PLBZTJZTCHUXOS-UHFFFAOYSA-N -1 3 366.212 3.101 20 0 FGADHM CCCc1cc(NC(=O)c2c(Cl)cc(-c3nn[n-]n3)cc2Cl)n[nH]1 ZINC000825348542 729379867 /nfs/dbraw/zinc/37/98/67/729379867.db2.gz PLBZTJZTCHUXOS-UHFFFAOYSA-N -1 3 366.212 3.101 20 0 FGADHM O=C([N-]Cc1ccc(OC(F)F)cc1F)C(F)(F)C1CCOCC1 ZINC000825701452 729391918 /nfs/dbraw/zinc/39/19/18/729391918.db2.gz SCUUIKIURVNATE-UHFFFAOYSA-N -1 3 353.287 3.105 20 0 FGADHM CS[C@H]1CC[C@@H](NC(=O)c2c(Cl)cc(-c3nnn[n-]3)cc2Cl)C1 ZINC000826227676 729406334 /nfs/dbraw/zinc/40/63/34/729406334.db2.gz VOASYIDTKIHWSR-BDAKNGLRSA-N -1 3 372.281 3.187 20 0 FGADHM CS[C@H]1CC[C@@H](NC(=O)c2c(Cl)cc(-c3nn[n-]n3)cc2Cl)C1 ZINC000826227676 729406335 /nfs/dbraw/zinc/40/63/35/729406335.db2.gz VOASYIDTKIHWSR-BDAKNGLRSA-N -1 3 372.281 3.187 20 0 FGADHM CSc1ccc(C)c(NCc2cnc3ccc(-c4nnn[n-]4)cn23)c1 ZINC000826230319 729406405 /nfs/dbraw/zinc/40/64/05/729406405.db2.gz NMSLUQGQICZKJP-UHFFFAOYSA-N -1 3 351.439 3.157 20 0 FGADHM CSc1ccc(C)c(NCc2cnc3ccc(-c4nn[n-]n4)cn23)c1 ZINC000826230319 729406406 /nfs/dbraw/zinc/40/64/06/729406406.db2.gz NMSLUQGQICZKJP-UHFFFAOYSA-N -1 3 351.439 3.157 20 0 FGADHM CSc1ccc(C)c(NC(=O)c2ncc(-c3nnn[n-]3)cc2Cl)c1 ZINC000826230195 729406417 /nfs/dbraw/zinc/40/64/17/729406417.db2.gz IPTTUHQKPKSQRL-UHFFFAOYSA-N -1 3 360.830 3.198 20 0 FGADHM CSc1ccc(C)c(NC(=O)c2ncc(-c3nn[n-]n3)cc2Cl)c1 ZINC000826230195 729406418 /nfs/dbraw/zinc/40/64/18/729406418.db2.gz IPTTUHQKPKSQRL-UHFFFAOYSA-N -1 3 360.830 3.198 20 0 FGADHM Cc1c(Cl)cnc(N[C@H](CCCO)c2ccccc2)c1-c1nnn[n-]1 ZINC000826238890 729406471 /nfs/dbraw/zinc/40/64/71/729406471.db2.gz SCPKWVLZONLZRI-CQSZACIVSA-N -1 3 358.833 3.149 20 0 FGADHM Cc1c(Cl)cnc(N[C@H](CCCO)c2ccccc2)c1-c1nn[n-]n1 ZINC000826238890 729406472 /nfs/dbraw/zinc/40/64/72/729406472.db2.gz SCPKWVLZONLZRI-CQSZACIVSA-N -1 3 358.833 3.149 20 0 FGADHM Cc1ccnc(NCc2csc(Br)c2)c1-c1nnn[n-]1 ZINC000826315061 729407201 /nfs/dbraw/zinc/40/72/01/729407201.db2.gz XISKJYNTDMPJPR-UHFFFAOYSA-N -1 3 351.233 3.006 20 0 FGADHM Cc1ccnc(NCc2csc(Br)c2)c1-c1nn[n-]n1 ZINC000826315061 729407202 /nfs/dbraw/zinc/40/72/02/729407202.db2.gz XISKJYNTDMPJPR-UHFFFAOYSA-N -1 3 351.233 3.006 20 0 FGADHM Clc1cccc(SCc2nc(-c3ccccn3)no2)c1-c1nnn[n-]1 ZINC000826353664 729407653 /nfs/dbraw/zinc/40/76/53/729407653.db2.gz YZIFNCWWDSWFRI-UHFFFAOYSA-N -1 3 371.813 3.257 20 0 FGADHM Clc1cccc(SCc2nc(-c3ccccn3)no2)c1-c1nn[n-]n1 ZINC000826353664 729407654 /nfs/dbraw/zinc/40/76/54/729407654.db2.gz YZIFNCWWDSWFRI-UHFFFAOYSA-N -1 3 371.813 3.257 20 0 FGADHM FC(F)(F)c1cc(Sc2ncnc3[nH]ccc32)ccc1-c1nnn[n-]1 ZINC000826368315 729407776 /nfs/dbraw/zinc/40/77/76/729407776.db2.gz LIVCUIMRPQYDSM-UHFFFAOYSA-N -1 3 363.328 3.308 20 0 FGADHM FC(F)(F)c1cc(Sc2ncnc3[nH]ccc32)ccc1-c1nn[n-]n1 ZINC000826368315 729407777 /nfs/dbraw/zinc/40/77/77/729407777.db2.gz LIVCUIMRPQYDSM-UHFFFAOYSA-N -1 3 363.328 3.308 20 0 FGADHM Cc1cnc(CCN2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)c(C)c1 ZINC000828542779 729444803 /nfs/dbraw/zinc/44/48/03/729444803.db2.gz QDSDTLOLXCFJSX-NOLJZWGESA-N -1 3 357.420 3.018 20 0 FGADHM Cc1cnc(CNC(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)c(C)c1 ZINC000831523430 729648948 /nfs/dbraw/zinc/64/89/48/729648948.db2.gz IESREIDZEJQKNH-UHFFFAOYSA-N -1 3 362.455 3.432 20 0 FGADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]C[C@H]1CCC[C@H]1c1ccccc1 ZINC000831815005 729669630 /nfs/dbraw/zinc/66/96/30/729669630.db2.gz UBJOWGZOKOLXBC-CABCVRRESA-N -1 3 367.902 3.244 20 0 FGADHM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C[C@]2(C)CC2(Cl)Cl)c1 ZINC000832147780 729692777 /nfs/dbraw/zinc/69/27/77/729692777.db2.gz IQTHJZSJFLZYJF-LBPRGKRZSA-N -1 3 370.685 3.405 20 0 FGADHM CCc1nc(C[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)co1 ZINC000832472570 729715483 /nfs/dbraw/zinc/71/54/83/729715483.db2.gz AMRWZDFKPSNLRI-UHFFFAOYSA-N -1 3 368.764 3.388 20 0 FGADHM CCOC(=O)N1CCC([C@H](C)NC(=O)c2cc(SC)ccc2[O-])CC1 ZINC000832521565 729718547 /nfs/dbraw/zinc/71/85/47/729718547.db2.gz DVGIKYDRBWWQMA-LBPRGKRZSA-N -1 3 366.483 3.101 20 0 FGADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]C1(C(C)(C)c2ccccc2)CC1 ZINC000832624193 729723034 /nfs/dbraw/zinc/72/30/34/729723034.db2.gz BHMSCELZRUJOTM-UHFFFAOYSA-N -1 3 367.902 3.171 20 0 FGADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1ccc(COC(C)(C)C)cc1 ZINC000836452729 729956158 /nfs/dbraw/zinc/95/61/58/729956158.db2.gz QKUOTPRWRXKKJM-UHFFFAOYSA-N -1 3 352.431 3.397 20 0 FGADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1ccc(COC(C)(C)C)cc1 ZINC000836452729 729956159 /nfs/dbraw/zinc/95/61/59/729956159.db2.gz QKUOTPRWRXKKJM-UHFFFAOYSA-N -1 3 352.431 3.397 20 0 FGADHM O=C(OCc1cc(=O)[n-]c(C2CC2)n1)c1ccc(Br)cc1F ZINC000837361649 730021678 /nfs/dbraw/zinc/02/16/78/730021678.db2.gz DZHSYTZDBANDKI-UHFFFAOYSA-N -1 3 367.174 3.318 20 0 FGADHM O=C(N1CCc2nc[n-]c(=O)c2C1)C(F)(F)c1cccc(Cl)c1Cl ZINC000843567945 730631245 /nfs/dbraw/zinc/63/12/45/730631245.db2.gz KLYPNSYSDXTBDP-UHFFFAOYSA-N -1 3 374.174 3.166 20 0 FGADHM O=C([N-]C[C@H]1CCCN(C(=O)[C@@H]2CCCC[C@H]2C2CC2)C1)C(F)(F)F ZINC000843597991 730634916 /nfs/dbraw/zinc/63/49/16/730634916.db2.gz KKZAPKFZRICMLO-VHDGCEQUSA-N -1 3 360.420 3.120 20 0 FGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)/C=C\C2CCCC2)cc1OC ZINC000843770795 730652972 /nfs/dbraw/zinc/65/29/72/730652972.db2.gz ZRQSONXMIADMMT-FLIBITNWSA-N -1 3 352.456 3.142 20 0 FGADHM CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-]c1ccccc1N1CCCCC1 ZINC000844644763 730745292 /nfs/dbraw/zinc/74/52/92/730745292.db2.gz PJSIEOKWHSNMDM-KRWDZBQOSA-N -1 3 368.499 3.150 20 0 FGADHM O=C([O-])[C@@]12CN(Cc3nc(C4CCCCC4)cs3)C[C@H]1COCC2 ZINC000846287954 730943983 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FGADHM C[C@H](CC(C)(C)C)NC(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C ZINC000848661840 731193395 /nfs/dbraw/zinc/19/33/95/731193395.db2.gz XZBSMZZNVCUGKQ-IJLUTSLNSA-N -1 3 351.413 3.052 20 0 FGADHM CO[C@@H](CS(=O)(=O)[N-]c1ccc(SC(F)F)nc1)C1CCCC1 ZINC000849333937 731248968 /nfs/dbraw/zinc/24/89/68/731248968.db2.gz DQCNDKYTDGVSEU-LBPRGKRZSA-N -1 3 366.455 3.343 20 0 FGADHM CC(C)[C@@H](C)OC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000849691184 731272798 /nfs/dbraw/zinc/27/27/98/731272798.db2.gz BGRQLJKZXZMCGL-LLVKDONJSA-N -1 3 354.403 3.156 20 0 FGADHM COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-]C[C@H](C)C1CCCCC1 ZINC000851847517 731508473 /nfs/dbraw/zinc/50/84/73/731508473.db2.gz GPPZSQABTSDECR-NSHDSACASA-N -1 3 374.890 3.016 20 0 FGADHM CC(C)(C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1)CC(F)(F)F ZINC000851901250 731516840 /nfs/dbraw/zinc/51/68/40/731516840.db2.gz AVVIJDRJKCIZFU-UHFFFAOYSA-N -1 3 364.311 3.357 20 0 FGADHM CC[C@@H](COCC(F)(F)F)[N-]C(=O)C(F)(F)c1ccccc1OC ZINC000854688676 731853793 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CN(CC(F)(F)Br)C(=O)c1cc([O-])cc(Br)c1 ZINC000861731284 732724554 /nfs/dbraw/zinc/72/45/54/732724554.db2.gz DIYUGTNATHCDMJ-UHFFFAOYSA-N -1 3 372.991 3.214 20 0 FGADHM CC(C)=CC[C@H](NCc1ccccc1I)C(=O)[O-] ZINC000864529247 733073372 /nfs/dbraw/zinc/07/33/72/733073372.db2.gz XNORYQFFVXQNLT-ZDUSSCGKSA-N -1 3 359.207 3.190 20 0 FGADHM Cc1cccc(-n2ccnc2SCc2nc3c(c(=O)[n-]2)COCC3)c1 ZINC000865348191 733183366 /nfs/dbraw/zinc/18/33/66/733183366.db2.gz GWDSBKSTJWYKKS-UHFFFAOYSA-N -1 3 354.435 3.041 20 0 FGADHM Cc1nc(-c2ccc(NC(=O)NCC[C@H]3CCSC3)cc2)cc(=O)[n-]1 ZINC000866027362 733303728 /nfs/dbraw/zinc/30/37/28/733303728.db2.gz GARVGGDRSFUGNH-ZDUSSCGKSA-N -1 3 358.467 3.422 20 0 FGADHM CSc1ccc([O-])c(C(=O)N2Cc3cccnc3N3CCC[C@@H]3C2)c1 ZINC000871423303 733937557 /nfs/dbraw/zinc/93/75/57/733937557.db2.gz QNGWBQUVKXQNOI-CQSZACIVSA-N -1 3 355.463 3.134 20 0 FGADHM COc1ccc(OCc2nc(CN[C@H](CC3CC3)C(=O)[O-])cs2)cc1 ZINC000871882798 735560604 /nfs/dbraw/zinc/56/06/04/735560604.db2.gz 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O=C(OC[C@@H]1CCC2(CCOCC2)O1)c1cc([O-])cc(Br)c1 ZINC000884597412 737680690 /nfs/dbraw/zinc/68/06/90/737680690.db2.gz ATDNKSXYNCEOQO-AWEZNQCLSA-N -1 3 371.227 3.040 20 0 FGADHM Cc1nc(C)c(CC(=O)Nc2nc3c(s2)C[C@H](C(C)C)CC3)c(=O)[n-]1 ZINC000890596043 739813043 /nfs/dbraw/zinc/81/30/43/739813043.db2.gz SLYHOPDUAXYHEJ-GFCCVEGCSA-N -1 3 360.483 3.198 20 0 FGADHM CCN1CCC([N-]C(=O)C(F)(F)c2ccccc2F)(C(F)(F)F)CC1 ZINC000891208803 739877207 /nfs/dbraw/zinc/87/72/07/739877207.db2.gz CDMXSHUFHRETAE-UHFFFAOYSA-N -1 3 368.321 3.451 20 0 FGADHM O=C(c1ccc(OC(F)F)c(Cl)c1)N1CCCc2c(=O)[n-]cnc21 ZINC000893203509 742123692 /nfs/dbraw/zinc/12/36/92/742123692.db2.gz GQKDOWVQGCNVQN-UHFFFAOYSA-N -1 3 355.728 3.030 20 0 FGADHM C[C@@H](NCc1ncc(Br)cc1[O-])c1ccc([S@@](C)=O)cc1 ZINC000893247944 742129617 /nfs/dbraw/zinc/12/96/17/742129617.db2.gz KKTJSIBMHQOTGZ-LADRHHBVSA-N -1 3 369.284 3.138 20 0 FGADHM C[C@H](NCc1ncc(Br)cc1[O-])[C@@H]1OCCc2sccc21 ZINC000894593611 742302725 /nfs/dbraw/zinc/30/27/25/742302725.db2.gz 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ZINC000900059652 743053844 /nfs/dbraw/zinc/05/38/44/743053844.db2.gz RCGSREYZESJDGC-UHFFFAOYSA-N -1 3 358.467 3.242 20 0 FGADHM CCc1nc(C)c(CC(=O)Nc2cc(Br)ccc2[O-])c(C)n1 ZINC000901223182 743239602 /nfs/dbraw/zinc/23/96/02/743239602.db2.gz GUAQDIUKWYXINY-UHFFFAOYSA-N -1 3 364.243 3.305 20 0 FGADHM O=C([O-])[C@H]1CCCN(Cc2c[nH]nc2-c2ccc(Br)s2)C1 ZINC000901415602 743274172 /nfs/dbraw/zinc/27/41/72/743274172.db2.gz LYVZYBOAOLDVAN-VIFPVBQESA-N -1 3 370.272 3.197 20 0 FGADHM Cc1cc(CN[C@]2(CC(=O)[O-])CCCOC2)c(Br)cc1F ZINC000901522538 743297427 /nfs/dbraw/zinc/29/74/27/743297427.db2.gz HELKKVCGJWCDOQ-HNNXBMFYSA-N -1 3 360.223 3.010 20 0 FGADHM CC(C)C(=O)Nc1cccc([N-]S(=O)(=O)C[C@@H]2CCCC(C)(C)O2)c1 ZINC000901599545 743596389 /nfs/dbraw/zinc/59/63/89/743596389.db2.gz QMOHQTWAAWMLJJ-INIZCTEOSA-N -1 3 368.499 3.371 20 0 FGADHM CC1(C)CCC[C@H](CS(=O)(=O)[N-]c2ccc3cc[nH]c(=O)c3c2)O1 ZINC000901674592 743615280 /nfs/dbraw/zinc/61/52/80/743615280.db2.gz ITIDSBOEDDYPGC-CQSZACIVSA-N -1 3 350.440 3.030 20 0 FGADHM CC(C)(C)OCC[C@H](NCc1ccc(F)cc1Br)C(=O)[O-] ZINC000901760457 743633202 /nfs/dbraw/zinc/63/32/02/743633202.db2.gz SFRNYSQBGBBPQT-ZDUSSCGKSA-N -1 3 362.239 3.336 20 0 FGADHM Cc1oc(CNCCOc2ccc(Br)cc2)cc1C(=O)[O-] ZINC000902197547 743720968 /nfs/dbraw/zinc/72/09/68/743720968.db2.gz UMOFOLBZXLOUSO-UHFFFAOYSA-N -1 3 354.200 3.217 20 0 FGADHM CC(C)(C)[S@](=O)CCNCc1ccc(C(=O)[O-])cc1C(F)(F)F ZINC000902255076 743726254 /nfs/dbraw/zinc/72/62/54/743726254.db2.gz LLLIGTXPKVBLMH-HSZRJFAPSA-N -1 3 351.390 3.040 20 0 FGADHM O=C([O-])Cn1cc(CNCC2(c3ccccc3Cl)CCCCC2)nn1 ZINC000902372187 743738401 /nfs/dbraw/zinc/73/84/01/743738401.db2.gz HWEUJRKXPQPIDS-UHFFFAOYSA-N -1 3 362.861 3.008 20 0 FGADHM CCN1CC[C@@H]1C[N-]C(=O)C(F)(F)c1ncc(C(F)(F)F)cc1Cl ZINC000902965161 743793616 /nfs/dbraw/zinc/79/36/16/743793616.db2.gz CNYYJPSZDIORRV-SECBINFHSA-N -1 3 371.737 3.056 20 0 FGADHM O=C([O-])CCN(Cc1ccc(F)c(F)c1)C[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000903600867 743860572 /nfs/dbraw/zinc/86/05/72/743860572.db2.gz 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ZINC000069120101 493924948 /nfs/dbraw/zinc/92/49/48/493924948.db2.gz UBTUSSYKBRLCJQ-KRWDZBQOSA-N -1 3 365.451 3.002 20 0 FGADHM CCc1cccc(C(=O)NCc2ccccc2CN2CCCC2=O)c1[O-] ZINC000081730506 493947731 /nfs/dbraw/zinc/94/77/31/493947731.db2.gz DRFIDOHLYUHIPC-UHFFFAOYSA-N -1 3 352.434 3.007 20 0 FGADHM CCc1cccc(C(=O)N(C)Cc2nc([C@@H](C)OCC(C)C)no2)c1[O-] ZINC000081794175 493955575 /nfs/dbraw/zinc/95/55/75/493955575.db2.gz JTGOHJWUEHJXML-CYBMUJFWSA-N -1 3 361.442 3.343 20 0 FGADHM CCc1cccc(C(=O)Nc2ccc(NC(=O)[C@@H]3CCCO3)cc2)c1[O-] ZINC000081938212 493969589 /nfs/dbraw/zinc/96/95/89/493969589.db2.gz BLGWMRPZIDMULU-KRWDZBQOSA-N -1 3 354.406 3.324 20 0 FGADHM CCc1cccc(C(=O)N2CCC[C@H](C(=O)Nc3ccc(C)cn3)C2)c1[O-] ZINC000081943672 493971333 /nfs/dbraw/zinc/97/13/33/493971333.db2.gz GRRVQSNYFPWZHS-INIZCTEOSA-N -1 3 367.449 3.149 20 0 FGADHM Cc1cc(C)cc(C(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)c1 ZINC000076920626 493988822 /nfs/dbraw/zinc/98/88/22/493988822.db2.gz WUEKVWPCTXZCMU-UHFFFAOYSA-N -1 3 362.426 3.136 20 0 FGADHM O=S(=O)(C[C@@H]1CCCCO1)[N-]c1ccc(OC(F)F)c(Cl)c1 ZINC000076935574 493991468 /nfs/dbraw/zinc/99/14/68/493991468.db2.gz SYVYOSUCMBKEPA-JTQLQIEISA-N -1 3 355.790 3.252 20 0 FGADHM CN(C)[C@H](CNC(=O)c1c[n-]c2ccccc2c1=O)c1ccccc1Cl ZINC000032700165 494005839 /nfs/dbraw/zinc/00/58/39/494005839.db2.gz BIPWCQJLXUMXSM-GOSISDBHSA-N -1 3 369.852 3.214 20 0 FGADHM CCOC(=O)CN(Cc1ccccc1)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000062232414 494006824 /nfs/dbraw/zinc/00/68/24/494006824.db2.gz UXCNHOGHQVFVKA-UHFFFAOYSA-N -1 3 364.401 3.146 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)c1cnc2ccsc2c1)c1nc(C)cs1 ZINC000083990950 494043013 /nfs/dbraw/zinc/04/30/13/494043013.db2.gz RRRXZNUFSUHEPK-NSHDSACASA-N -1 3 353.494 3.491 20 0 FGADHM CS(=O)(=O)[N-]c1ccc(-c2noc(Cc3c[nH]c4ccccc34)n2)cc1 ZINC000033276287 494055890 /nfs/dbraw/zinc/05/58/90/494055890.db2.gz UAKAJHCHICPFPI-UHFFFAOYSA-N -1 3 368.418 3.180 20 0 FGADHM CC(C)c1cccc(-n2cc([O-])c(C(=O)N(C)CC3CCN(C)CC3)n2)c1 ZINC000084389128 494068941 /nfs/dbraw/zinc/06/89/41/494068941.db2.gz BUBZUBKHUUKLOI-UHFFFAOYSA-N -1 3 370.497 3.115 20 0 FGADHM CCCCOc1ncccc1C[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000063629550 494071887 /nfs/dbraw/zinc/07/18/87/494071887.db2.gz YWMRXYDDEWMUMI-UHFFFAOYSA-N -1 3 356.394 3.017 20 0 FGADHM CC(=O)NCc1ccc(S(=O)(=O)[N-]Cc2cccc3ccccc32)s1 ZINC000063764526 494085554 /nfs/dbraw/zinc/08/55/54/494085554.db2.gz YBPIUHHLBATZHZ-UHFFFAOYSA-N -1 3 374.487 3.016 20 0 FGADHM Cc1ccc([C@@H]2CCCN2C(=O)CCc2c(C)nc(C)[n-]c2=O)cc1C ZINC000063816684 494091532 /nfs/dbraw/zinc/09/15/32/494091532.db2.gz FCQHKKMUXBXBRI-IBGZPJMESA-N -1 3 353.466 3.300 20 0 FGADHM Cc1ccc2ncc(C(=O)[O-])c(N3CCN([C@@H](C)C(F)(F)F)CC3)c2c1 ZINC000577282778 505699310 /nfs/dbraw/zinc/69/93/10/505699310.db2.gz XAGHPBBOHFHACY-LBPRGKRZSA-N -1 3 367.371 3.314 20 0 FGADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)COc3ccc(C)c(C)c3)cc2)n1 ZINC000064342837 494115221 /nfs/dbraw/zinc/11/52/21/494115221.db2.gz OVKKPYLTWBBOMX-UHFFFAOYSA-N -1 3 363.417 3.380 20 0 FGADHM O=C(Nc1nnc(-c2ccco2)[n-]1)c1cnn(-c2ccccc2Cl)c1 ZINC000064656011 494141530 /nfs/dbraw/zinc/14/15/30/494141530.db2.gz AOJGNMAXJDKAAT-UHFFFAOYSA-N -1 3 354.757 3.156 20 0 FGADHM O=C(Nc1nc(-c2ccco2)n[n-]1)c1cnn(-c2ccccc2Cl)c1 ZINC000064656011 494141535 /nfs/dbraw/zinc/14/15/35/494141535.db2.gz AOJGNMAXJDKAAT-UHFFFAOYSA-N -1 3 354.757 3.156 20 0 FGADHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1cnn(-c2ccccc2Cl)c1 ZINC000064656011 494141539 /nfs/dbraw/zinc/14/15/39/494141539.db2.gz AOJGNMAXJDKAAT-UHFFFAOYSA-N -1 3 354.757 3.156 20 0 FGADHM CC(C)OCc1ccccc1CNC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000064851213 494155668 /nfs/dbraw/zinc/15/56/68/494155668.db2.gz XSANAHUYBBNZJW-UHFFFAOYSA-N -1 3 350.418 3.383 20 0 FGADHM CC[C@@H](C)N(C)C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000077724909 494158220 /nfs/dbraw/zinc/15/82/20/494158220.db2.gz FPNYZUWXAHGQCV-LLVKDONJSA-N -1 3 359.467 3.165 20 0 FGADHM C[C@H](c1ccccc1)N1CC[C@H]([N-]S(=O)(=O)c2ccc(F)cc2F)C1 ZINC000053686715 494158719 /nfs/dbraw/zinc/15/87/19/494158719.db2.gz DIEIDHNXEAXFRG-CJNGLKHVSA-N -1 3 366.433 3.079 20 0 FGADHM COc1ccc2nc(NC(=O)c3n[n-]c4c3cccc4OC)sc2c1 ZINC000577324371 505705774 /nfs/dbraw/zinc/70/57/74/505705774.db2.gz LUPGFRYPWKTQQM-UHFFFAOYSA-N -1 3 354.391 3.442 20 0 FGADHM CCOC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)s1)c1ccccc1 ZINC000065012333 494165786 /nfs/dbraw/zinc/16/57/86/494165786.db2.gz CYDJGNJTKGTDIH-GFCCVEGCSA-N -1 3 373.883 3.374 20 0 FGADHM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3cc(F)ccc3F)cc2C[C@H]1C ZINC000011175387 494171487 /nfs/dbraw/zinc/17/14/87/494171487.db2.gz LWPXRBGHXRZKPL-SNVBAGLBSA-N -1 3 366.389 3.063 20 0 FGADHM Cc1ccc(-c2nnc([N-]C(=O)c3cn4cccnc4n3)s2)c(C)c1 ZINC000065123813 494174747 /nfs/dbraw/zinc/17/47/47/494174747.db2.gz KIFLWGLGUUFXNN-UHFFFAOYSA-N -1 3 350.407 3.117 20 0 FGADHM Cc1ccc(NC(=O)c2c[n-]nc2-c2cccc(Cl)c2)cc1C(N)=O ZINC000087272603 494189699 /nfs/dbraw/zinc/18/96/99/494189699.db2.gz HRNLFUZSMHBIBG-UHFFFAOYSA-N -1 3 354.797 3.390 20 0 FGADHM COc1ccc2nc(NC(=O)c3[n-]nc4c3cccc4OC)sc2c1 ZINC000577324371 505705769 /nfs/dbraw/zinc/70/57/69/505705769.db2.gz LUPGFRYPWKTQQM-UHFFFAOYSA-N -1 3 354.391 3.442 20 0 FGADHM CCOC(=O)c1c(C(C)C)csc1[N-]C(=O)C(=O)N(C)CC1CCC1 ZINC000072619149 494218007 /nfs/dbraw/zinc/21/80/07/494218007.db2.gz MTZSTYTVUDTBGC-UHFFFAOYSA-N -1 3 366.483 3.245 20 0 FGADHM CCOC(=O)c1c(C(C)C)csc1[N-]C(=O)C(=O)N(C)CC(C)C ZINC000072617786 494218052 /nfs/dbraw/zinc/21/80/52/494218052.db2.gz SBDVIUHKCVQBET-UHFFFAOYSA-N -1 3 354.472 3.101 20 0 FGADHM Cc1ccc([O-])c(C(=O)NC[C@H](c2ccc(Cl)cc2)N2CCOCC2)c1 ZINC000065782681 494237747 /nfs/dbraw/zinc/23/77/47/494237747.db2.gz NUJAIYAPWNIHAS-GOSISDBHSA-N -1 3 374.868 3.157 20 0 FGADHM C[C@H](c1cccc(Cl)c1)N(C)C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000065816037 494241738 /nfs/dbraw/zinc/24/17/38/494241738.db2.gz BYVTVRQIOCLRDI-SNVBAGLBSA-N -1 3 357.797 3.449 20 0 FGADHM COc1ccc2c(c1)N(Cc1nc3c4ccccc4oc3c(=O)[n-]1)CCO2 ZINC000072797043 494252282 /nfs/dbraw/zinc/25/22/82/494252282.db2.gz 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ZINC000055109228 494302674 /nfs/dbraw/zinc/30/26/74/494302674.db2.gz COYBUMILCASDID-UHFFFAOYSA-N -1 3 362.813 3.155 20 0 FGADHM O=S(=O)([N-]C12CC3CC(CC(C3)C1)C2)c1cncc(Br)c1 ZINC000043532384 494303801 /nfs/dbraw/zinc/30/38/01/494303801.db2.gz QVHSIVVLGXKUKJ-UHFFFAOYSA-N -1 3 371.300 3.091 20 0 FGADHM CN(C)Cc1ccc(C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000078494082 494308010 /nfs/dbraw/zinc/30/80/10/494308010.db2.gz RPWFRCXERQEOEM-UHFFFAOYSA-N -1 3 366.461 3.189 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC(COc3ccccc3)CC2)c1 ZINC000055426589 494343288 /nfs/dbraw/zinc/34/32/88/494343288.db2.gz BVFNKHTTXVJNQO-UHFFFAOYSA-N -1 3 368.433 3.282 20 0 FGADHM CCOC(=O)c1sc2[n-]c(CC(=O)c3ccccc3F)nc(=O)c2c1C ZINC000055494152 494353076 /nfs/dbraw/zinc/35/30/76/494353076.db2.gz RVRJUYLSMMIILN-UHFFFAOYSA-N -1 3 374.393 3.034 20 0 FGADHM O=S(=O)([N-][C@H]1C[C@@H]1c1ccccc1)c1ccc(F)cc1Br ZINC000044414570 494357641 /nfs/dbraw/zinc/35/76/41/494357641.db2.gz XESKAHFZLGLPAS-OCCSQVGLSA-N -1 3 370.243 3.423 20 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AGLBPSFGAYQFOR-UHFFFAOYSA-N -1 3 359.389 3.390 20 0 FGADHM O=S(=O)([N-]Cc1ccnc(OCc2ccccc2)c1)c1cccs1 ZINC000056060857 494448247 /nfs/dbraw/zinc/44/82/47/494448247.db2.gz QVQGEJPWQSHCAG-UHFFFAOYSA-N -1 3 360.460 3.201 20 0 FGADHM Cc1noc(C)c1S(=O)(=O)[N-]Cc1cccc(COc2ccccc2)c1 ZINC000056140418 494460496 /nfs/dbraw/zinc/46/04/96/494460496.db2.gz SOGIUXGPYLXDLZ-UHFFFAOYSA-N -1 3 372.446 3.349 20 0 FGADHM CC(C)Oc1ccc(C[N-]S(=O)(=O)c2ccc(F)c(F)c2F)cc1 ZINC000045808992 494465130 /nfs/dbraw/zinc/46/51/30/494465130.db2.gz LQSNFCAXPZUJLY-UHFFFAOYSA-N -1 3 359.369 3.370 20 0 FGADHM C[C@H](Oc1cccc2ccccc21)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000020498636 494475013 /nfs/dbraw/zinc/47/50/13/494475013.db2.gz NRBLHRSYZPUSIP-ZDUSSCGKSA-N -1 3 359.389 3.426 20 0 FGADHM C[C@H](Oc1cccc2ccccc21)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000020498636 494475020 /nfs/dbraw/zinc/47/50/20/494475020.db2.gz NRBLHRSYZPUSIP-ZDUSSCGKSA-N -1 3 359.389 3.426 20 0 FGADHM CCc1c(C(=O)[N-]c2nnc(C3CC3)s2)nnn1-c1cccc(Cl)c1 ZINC000067135239 494481331 /nfs/dbraw/zinc/48/13/31/494481331.db2.gz QOXNDHQMWPJDPC-UHFFFAOYSA-N -1 3 374.857 3.464 20 0 FGADHM Cc1ccc(C(=O)Nc2ccc(NC(=O)NC[C@H]3CCCO3)cc2)c([O-])c1 ZINC000021207296 494490212 /nfs/dbraw/zinc/49/02/12/494490212.db2.gz LQVJEHGPTDXUGF-MRXNPFEDSA-N -1 3 369.421 3.253 20 0 FGADHM CCc1cccc(C)c1NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000079626177 494496472 /nfs/dbraw/zinc/49/64/72/494496472.db2.gz QUIGUHDMLHIEAZ-UHFFFAOYSA-N -1 3 367.449 3.253 20 0 FGADHM CC(C)Oc1ccc(S(=O)(=O)[N-]c2cccc(C[S@@](C)=O)c2)cc1 ZINC000091017701 494511958 /nfs/dbraw/zinc/51/19/58/494511958.db2.gz IXGGBEASEUIGMP-QHCPKHFHSA-N -1 3 367.492 3.153 20 0 FGADHM COc1cc[n-]c(=NNC(=O)c2ccc(C3SCCCS3)cc2)n1 ZINC000046364053 494520527 /nfs/dbraw/zinc/52/05/27/494520527.db2.gz LYLFYAVOFXPOLM-UHFFFAOYSA-N -1 3 362.480 3.111 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)N(Cc1cc[nH]n1)Cc1ccccc1 ZINC000074373161 494526312 /nfs/dbraw/zinc/52/63/12/494526312.db2.gz VRSPMQXGCMNOIQ-UHFFFAOYSA-N -1 3 354.385 3.166 20 0 FGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1cccc2c3c([nH]c21)CCCC3 ZINC000074418419 494531593 /nfs/dbraw/zinc/53/15/93/494531593.db2.gz RHJHIWOKPHVWOV-UHFFFAOYSA-N -1 3 358.405 3.479 20 0 FGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1cccc2c3c([nH]c21)CCCC3 ZINC000074418419 494531595 /nfs/dbraw/zinc/53/15/95/494531595.db2.gz RHJHIWOKPHVWOV-UHFFFAOYSA-N -1 3 358.405 3.479 20 0 FGADHM CCC[C@@H]1C[C@H]1C(=O)Nc1cc([N-]S(=O)(=O)CCC)c(F)cc1F ZINC000079931228 494551106 /nfs/dbraw/zinc/55/11/06/494551106.db2.gz VOLGXQSXEIRDAQ-GHMZBOCLSA-N -1 3 360.426 3.491 20 0 FGADHM CCCn1c(=O)[n-]nc1S[C@H](C)C(=O)N1c2ccccc2CC[C@H]1C ZINC000023763956 494581848 /nfs/dbraw/zinc/58/18/48/494581848.db2.gz DQSOWXACPNRJSU-CHWSQXEVSA-N -1 3 360.483 3.242 20 0 FGADHM CCC(CC)CS(=O)(=O)[N-][C@@H](c1noc(C)n1)c1ccc(Cl)cc1 ZINC000092335707 494598639 /nfs/dbraw/zinc/59/86/39/494598639.db2.gz QAKJAPLKRAKCFO-OAHLLOKOSA-N -1 3 371.890 3.476 20 0 FGADHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-]C[C@@H]2CCC[C@@H](C)C2)s1 ZINC000057011918 494617981 /nfs/dbraw/zinc/61/79/81/494617981.db2.gz PRRMEURUUMQTLD-YRGRVCCFSA-N -1 3 358.529 3.050 20 0 FGADHM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(Cl)cc2)c(F)cc1F ZINC000024428100 494629131 /nfs/dbraw/zinc/62/91/31/494629131.db2.gz CADONGLFJMNWCG-UHFFFAOYSA-N -1 3 361.753 3.206 20 0 FGADHM CC(C)c1ccc(C(=O)Nc2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)cc1 ZINC000047167229 494647843 /nfs/dbraw/zinc/64/78/43/494647843.db2.gz AYASHDYVBHZGRI-FQEVSTJZSA-N -1 3 351.406 3.117 20 0 FGADHM CCCC(O)(CCC)CNC(=O)NCc1ccc([O-])c(Br)c1 ZINC000126144974 494652603 /nfs/dbraw/zinc/65/26/03/494652603.db2.gz XUXVDRODEADPBA-UHFFFAOYSA-N -1 3 373.291 3.285 20 0 FGADHM CC(C)(C)c1ccc(C(=O)Nc2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)s1 ZINC000131572168 494661124 /nfs/dbraw/zinc/66/11/24/494661124.db2.gz NDQBWZVURIMRGR-IBGZPJMESA-N -1 3 371.462 3.353 20 0 FGADHM Cc1cnc(C(C)(C)[N-]S(=O)(=O)c2cc(F)c(F)cc2F)s1 ZINC000080282334 494665549 /nfs/dbraw/zinc/66/55/49/494665549.db2.gz VRLJQSPKALESRH-UHFFFAOYSA-N -1 3 350.387 3.082 20 0 FGADHM CN(C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)c1ccccc1 ZINC000047268545 494670897 /nfs/dbraw/zinc/67/08/97/494670897.db2.gz CSWITUWNIASLMF-UHFFFAOYSA-N -1 3 373.409 3.231 20 0 FGADHM O=C(Nc1cccc(-c2ccc3c(c2)OCCO3)n1)c1ccc2n[n-]nc2c1 ZINC000108310637 494676709 /nfs/dbraw/zinc/67/67/09/494676709.db2.gz LUVDJDACPYVRLO-UHFFFAOYSA-N -1 3 373.372 3.043 20 0 FGADHM CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)CCn1[n-]c(=O)c2ccccc2c1=O ZINC000025091996 494698910 /nfs/dbraw/zinc/69/89/10/494698910.db2.gz AHJYCKUNKURUQG-DLBZAZTESA-N -1 3 371.481 3.213 20 0 FGADHM Cc1csc([C@@H](C)[N-]S(=O)(=O)c2ccccc2Br)n1 ZINC000067950915 494707538 /nfs/dbraw/zinc/70/75/38/494707538.db2.gz FQOCYVCWZXUYPO-SECBINFHSA-N -1 3 361.286 3.254 20 0 FGADHM CCc1ccc([C@H](C)C(=O)Nc2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)cc1 ZINC000067986167 494719343 /nfs/dbraw/zinc/71/93/43/494719343.db2.gz XCLZCBJMGLABDK-YEJXKQKISA-N -1 3 365.433 3.046 20 0 FGADHM Cc1ccc(NC(=O)NC[C@H]2CCCN(Cc3nc(C)ccc3[O-])C2)cc1 ZINC000092708787 494723928 /nfs/dbraw/zinc/72/39/28/494723928.db2.gz AENQGXOMCPGDRY-QGZVFWFLSA-N -1 3 368.481 3.438 20 0 FGADHM CC(C)N(C)C(=O)C1CCN(Cc2cc([O-])ccc2Br)CC1 ZINC000091952720 494732194 /nfs/dbraw/zinc/73/21/94/494732194.db2.gz WFAVVUIVZLOICV-UHFFFAOYSA-N -1 3 369.303 3.234 20 0 FGADHM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(CCOCCC(C)C)CC2 ZINC000574285927 505738207 /nfs/dbraw/zinc/73/82/07/505738207.db2.gz RQEKMDFAFHFNMW-QGZVFWFLSA-N -1 3 365.470 3.140 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1c(F)cccc1F)c1ccccc1-n1cccn1 ZINC000131815422 494741078 /nfs/dbraw/zinc/74/10/78/494741078.db2.gz KTGCSJXVJFYRNW-GFCCVEGCSA-N -1 3 363.389 3.190 20 0 FGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)CCc2ccsc2)cc1OC ZINC000108576563 494744800 /nfs/dbraw/zinc/74/48/00/494744800.db2.gz CIZQRUAQPNPSEH-UHFFFAOYSA-N -1 3 368.480 3.090 20 0 FGADHM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc3c(c2)COC3)c(F)c1 ZINC000068076565 494753402 /nfs/dbraw/zinc/75/34/02/494753402.db2.gz NZSCUUPQHYZBCZ-UHFFFAOYSA-N -1 3 351.399 3.444 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000121436989 494756285 /nfs/dbraw/zinc/75/62/85/494756285.db2.gz XOKWMPQDSSLOSC-LDYMZIIASA-N -1 3 361.847 3.384 20 0 FGADHM O=C(CSc1n[n-]c(COc2ccc(Cl)cc2)n1)NCC1CCC1 ZINC000108660418 494757186 /nfs/dbraw/zinc/75/71/86/494757186.db2.gz HJTAMVSXJBEYED-UHFFFAOYSA-N -1 3 366.874 3.046 20 0 FGADHM Cc1nc(C)c(CCC(=O)NCC(C)(C)c2ccc(Cl)cc2)c(=O)[n-]1 ZINC000126473695 494763811 /nfs/dbraw/zinc/76/38/11/494763811.db2.gz FOYZULJGENEUAM-UHFFFAOYSA-N -1 3 361.873 3.067 20 0 FGADHM CCN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000075440942 494765337 /nfs/dbraw/zinc/76/53/37/494765337.db2.gz OGOHNYCZBCYDLJ-UHFFFAOYSA-N -1 3 352.843 3.233 20 0 FGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]C(C)(C)c2nc(C)cs2)c1 ZINC000116377920 494769402 /nfs/dbraw/zinc/76/94/02/494769402.db2.gz RBFBBJCJUAROQZ-UHFFFAOYSA-N -1 3 360.888 3.327 20 0 FGADHM C[C@H]1CN(C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)CC[C@@H]1c1ccccc1 ZINC000075498671 494777645 /nfs/dbraw/zinc/77/76/45/494777645.db2.gz WFPVMKIRTTVJNR-BBRMVZONSA-N -1 3 363.417 3.228 20 0 FGADHM C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)C1 ZINC000075503174 494779753 /nfs/dbraw/zinc/77/97/53/494779753.db2.gz HVKRPVLAHRPHHA-GTNSWQLSSA-N -1 3 367.380 3.324 20 0 FGADHM COc1cccc(C2(C(=O)Nc3cccc(-c4nnn[n-]4)c3)CCCC2)c1 ZINC000108769594 494782484 /nfs/dbraw/zinc/78/24/84/494782484.db2.gz CXUJJFZIWUMTSD-UHFFFAOYSA-N -1 3 363.421 3.326 20 0 FGADHM COc1cccc(C2(C(=O)Nc3cccc(-c4nn[n-]n4)c3)CCCC2)c1 ZINC000108769594 494782491 /nfs/dbraw/zinc/78/24/91/494782491.db2.gz CXUJJFZIWUMTSD-UHFFFAOYSA-N -1 3 363.421 3.326 20 0 FGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]C[C@@]3(C)CCCO3)s2)cs1 ZINC000121498939 494782718 /nfs/dbraw/zinc/78/27/18/494782718.db2.gz FKGSVQQGFXDIRD-CQSZACIVSA-N -1 3 358.510 3.027 20 0 FGADHM COC(=O)c1ccc([C@@H](C)N2CCC(C(=O)Nc3ccccc3[O-])CC2)o1 ZINC000025929841 494790701 /nfs/dbraw/zinc/79/07/01/494790701.db2.gz CVVDCVIBGATSKK-CYBMUJFWSA-N -1 3 372.421 3.184 20 0 FGADHM Cc1cc(C)n2nc(C(=O)[N-]c3nc4cc(Cl)ccc4s3)nc2n1 ZINC000026265588 494814275 /nfs/dbraw/zinc/81/42/75/494814275.db2.gz SGHIKHHBBGUHOJ-UHFFFAOYSA-N -1 3 358.814 3.257 20 0 FGADHM O=C([O-])[C@H](CCN1CCN(c2cc(F)ccc2F)CC1)c1ccccc1 ZINC000568641986 505743635 /nfs/dbraw/zinc/74/36/35/505743635.db2.gz VQTOUKXGISQLNR-QGZVFWFLSA-N -1 3 360.404 3.345 20 0 FGADHM O=S(=O)([N-]Cc1ccccc1CN1CCCC1)c1cccc(F)c1F ZINC000116606591 494824205 /nfs/dbraw/zinc/82/42/05/494824205.db2.gz TYSPENBDNVBDMM-UHFFFAOYSA-N -1 3 366.433 3.039 20 0 FGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@H](C)C3CCOCC3)s2)cs1 ZINC000121650450 494830961 /nfs/dbraw/zinc/83/09/61/494830961.db2.gz ZTSQZOCPTAPDBJ-SNVBAGLBSA-N -1 3 372.537 3.273 20 0 FGADHM COC(C)(C)C[C@@H](C)NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000132182658 494835200 /nfs/dbraw/zinc/83/52/00/494835200.db2.gz YMVCQNZNGUNERU-SNVBAGLBSA-N -1 3 359.264 3.158 20 0 FGADHM O=S(=O)([N-]C[C@@H]1Cc2ccccc2O1)c1cc(Cl)cc(Cl)c1 ZINC000026866639 494842677 /nfs/dbraw/zinc/84/26/77/494842677.db2.gz GOARQEDXIUTOLD-ZDUSSCGKSA-N -1 3 358.246 3.275 20 0 FGADHM O=S(=O)(Cc1ccc(Cl)cc1Br)[N-]Cc1ccco1 ZINC000126822682 494844348 /nfs/dbraw/zinc/84/43/48/494844348.db2.gz PMPMOZDZNCFGRP-UHFFFAOYSA-N -1 3 364.648 3.315 20 0 FGADHM Cc1nc(C)c(CC(=O)N(CCc2ccc(Cl)cc2)CC2CC2)c(=O)[n-]1 ZINC000116836263 494860342 /nfs/dbraw/zinc/86/03/42/494860342.db2.gz ZSPIUAAZYUZZOI-UHFFFAOYSA-N -1 3 373.884 3.064 20 0 FGADHM COc1ccc([O-])c(C(=O)Nc2ccccc2CN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000126923109 494863045 /nfs/dbraw/zinc/86/30/45/494863045.db2.gz VNYTVDWVYQNNLP-GASCZTMLSA-N -1 3 370.449 3.262 20 0 FGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000093316553 494867411 /nfs/dbraw/zinc/86/74/11/494867411.db2.gz FNDOZFYMGQIAMM-GHMZBOCLSA-N -1 3 364.348 3.434 20 0 FGADHM Cc1cc(Cl)cc(NC(=O)C[C@H](NC(N)=O)c2ccccc2C)c1[O-] ZINC000116978967 494878621 /nfs/dbraw/zinc/87/86/21/494878621.db2.gz INILOHHKUAZFKG-AWEZNQCLSA-N -1 3 361.829 3.401 20 0 FGADHM CCCC[C@@H](COC)[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000568665206 505747815 /nfs/dbraw/zinc/74/78/15/505747815.db2.gz LARWJJYLEBMSHE-JTQLQIEISA-N -1 3 373.368 3.208 20 0 FGADHM COc1ccc([O-])c(C(=O)NCc2cccc(COCC(F)(F)F)c2)c1 ZINC000132531701 494888934 /nfs/dbraw/zinc/88/89/34/494888934.db2.gz ODHXRQCXFNXSKA-UHFFFAOYSA-N -1 3 369.339 3.410 20 0 FGADHM C[C@H](Sc1n[n-]c(-c2ccccn2)n1)C(=O)N1c2ccccc2C[C@H]1C ZINC000117113237 494892424 /nfs/dbraw/zinc/89/24/24/494892424.db2.gz XWFXKHLQKZXIJF-OLZOCXBDSA-N -1 3 365.462 3.325 20 0 FGADHM C[C@H](Sc1n[n-]c(-c2ccccn2)n1)C(=O)N(C)Cc1ccccc1 ZINC000117114902 494892863 /nfs/dbraw/zinc/89/28/63/494892863.db2.gz LAPQLRGPLLZXRZ-ZDUSSCGKSA-N -1 3 353.451 3.006 20 0 FGADHM CC(=O)Nc1ccc(C(=O)[C@@H](C)Sc2n[n-]c(-c3ccccn3)n2)cc1 ZINC000117116441 494893407 /nfs/dbraw/zinc/89/34/07/494893407.db2.gz HVMDDQQNIRRTHK-LLVKDONJSA-N -1 3 367.434 3.189 20 0 FGADHM CSc1ccc(O[C@H](C)C(=O)[N-]c2nncn2Cc2ccccc2)cc1 ZINC000132598875 494897094 /nfs/dbraw/zinc/89/70/94/494897094.db2.gz WDUIBYDLCRGQAU-CQSZACIVSA-N -1 3 368.462 3.454 20 0 FGADHM C[C@H](NC(=O)CC1CCCCC1)C(=O)Nc1n[n-]c(-c2ccccc2F)n1 ZINC000109625748 494898064 /nfs/dbraw/zinc/89/80/64/494898064.db2.gz YLMPZPBHFLTTIL-LBPRGKRZSA-N -1 3 373.432 3.024 20 0 FGADHM COCCCOC1CCN(Cc2cc([O-])ccc2Br)CC1 ZINC000093561535 494900316 /nfs/dbraw/zinc/90/03/16/494900316.db2.gz OMIJKTGEUOPBSC-UHFFFAOYSA-N -1 3 358.276 3.172 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-]C[C@H](C)Oc1ccccc1Cl ZINC000121995256 494905989 /nfs/dbraw/zinc/90/59/89/494905989.db2.gz MVKADENEARYOAM-JTQLQIEISA-N -1 3 361.872 3.156 20 0 FGADHM Cc1ccc(Cn2cccc([N-]S(=O)(=O)c3ccccc3F)c2=O)cc1 ZINC000132696635 494911064 /nfs/dbraw/zinc/91/10/64/494911064.db2.gz XORIVUQDLUAFPI-UHFFFAOYSA-N -1 3 372.421 3.145 20 0 FGADHM CCc1ccc([O-])c(C(=O)NCc2cccc(CN3CCO[C@H](C)C3)c2)c1 ZINC000109827801 494922394 /nfs/dbraw/zinc/92/23/94/494922394.db2.gz LICMAANSIAYQHD-MRXNPFEDSA-N -1 3 368.477 3.105 20 0 FGADHM COc1ccccc1-c1nc([N-]C(=O)c2csc([C@@H]3CCCO3)n2)n[nH]1 ZINC000122093624 494923220 /nfs/dbraw/zinc/92/32/20/494923220.db2.gz WURMOXQUWMJCSQ-ZDUSSCGKSA-N -1 3 371.422 3.041 20 0 FGADHM CCC(C)(C)[C@H]1CCCN1C(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000122124941 494927991 /nfs/dbraw/zinc/92/79/91/494927991.db2.gz CDRJEOGCTGBIMP-OAHLLOKOSA-N -1 3 356.463 3.238 20 0 FGADHM O=C([N-]c1nc2ccccn2n1)c1cnc(Cc2ccc(F)cc2)s1 ZINC000132825969 494929528 /nfs/dbraw/zinc/92/95/28/494929528.db2.gz OVQQDCCBHLQEKI-UHFFFAOYSA-N -1 3 353.382 3.168 20 0 FGADHM CCC(CC)c1cc(C(=O)[N-]c2nc(-c3c[nH]c(C(N)=O)c3)cs2)on1 ZINC000132834131 494931274 /nfs/dbraw/zinc/93/12/74/494931274.db2.gz MLYJIJBNSINURC-UHFFFAOYSA-N -1 3 373.438 3.381 20 0 FGADHM CCc1ccc([O-])c(C(=O)N(C)[C@H](C)c2ccc(-n3cncn3)cc2)c1 ZINC000093905972 494933237 /nfs/dbraw/zinc/93/32/37/494933237.db2.gz VCDKJUSZYYDMEC-CQSZACIVSA-N -1 3 350.422 3.369 20 0 FGADHM CC(=O)Nc1ccc(S[C@H](C)C(=O)Nc2nnc(-c3ccco3)[n-]2)cc1 ZINC000132856095 494934396 /nfs/dbraw/zinc/93/43/96/494934396.db2.gz GXHUVPTYHOEGSJ-SNVBAGLBSA-N -1 3 371.422 3.142 20 0 FGADHM CC(=O)Nc1ccc(S[C@H](C)C(=O)Nc2nc(-c3ccco3)n[n-]2)cc1 ZINC000132856095 494934398 /nfs/dbraw/zinc/93/43/98/494934398.db2.gz GXHUVPTYHOEGSJ-SNVBAGLBSA-N -1 3 371.422 3.142 20 0 FGADHM CC(=O)Nc1ccc(S[C@H](C)C(=O)Nc2n[n-]c(-c3ccco3)n2)cc1 ZINC000132856095 494934400 /nfs/dbraw/zinc/93/44/00/494934400.db2.gz GXHUVPTYHOEGSJ-SNVBAGLBSA-N -1 3 371.422 3.142 20 0 FGADHM CCC(C)(CC)[N-]S(=O)(=O)c1ccc(CCNC(=O)CC(C)C)s1 ZINC000093913379 494934860 /nfs/dbraw/zinc/93/48/60/494934860.db2.gz DTZDVNMBJPUDLG-UHFFFAOYSA-N -1 3 374.572 3.310 20 0 FGADHM O=C(NC[C@@H]1CCCCN1C(=O)c1ccccc1[O-])Nc1ccccc1 ZINC000093927252 494935688 /nfs/dbraw/zinc/93/56/88/494935688.db2.gz CUTBTFIXYFNYKK-INIZCTEOSA-N -1 3 353.422 3.209 20 0 FGADHM Cc1cccc(OC[C@H](C)NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)c1 ZINC000122192026 494938081 /nfs/dbraw/zinc/93/80/81/494938081.db2.gz BELHGGIFVOAIRM-AWEZNQCLSA-N -1 3 368.408 3.481 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C3C[C@@H](C)O[C@H](C)C3)c2)n1 ZINC000094015722 494940090 /nfs/dbraw/zinc/94/00/90/494940090.db2.gz NXSVAOYLXBGEIW-CHWSQXEVSA-N -1 3 355.438 3.141 20 0 FGADHM COc1ccccc1OCc1ccc(C(=O)[N-]c2nc3ccccn3n2)o1 ZINC000132904720 494941387 /nfs/dbraw/zinc/94/13/87/494941387.db2.gz UYQRSAMMMJQHKE-UHFFFAOYSA-N -1 3 364.361 3.162 20 0 FGADHM COc1cc(C)cc(C(=O)Nc2ccc(C(=O)NC(C)C)cc2C)c1[O-] ZINC000094036260 494942249 /nfs/dbraw/zinc/94/22/49/494942249.db2.gz QKNJIJJHFUAGTK-UHFFFAOYSA-N -1 3 356.422 3.408 20 0 FGADHM COc1cc(C)cc(C(=O)Nc2cc(F)c(F)cc2NC(C)=O)c1[O-] ZINC000094084787 494947470 /nfs/dbraw/zinc/94/74/70/494947470.db2.gz KRCHOKIKVMPMCI-UHFFFAOYSA-N -1 3 350.321 3.198 20 0 FGADHM COc1ccc(C(=O)Nc2ccccc2NC2CCN(C)CC2)c([O-])c1 ZINC000094091114 494948228 /nfs/dbraw/zinc/94/82/28/494948228.db2.gz QWPJEOSUSUIKNI-UHFFFAOYSA-N -1 3 355.438 3.159 20 0 FGADHM C[C@H](Oc1ccc(Cl)cc1)C(=O)[N-]c1nncn1Cc1ccccc1 ZINC000117733555 494950797 /nfs/dbraw/zinc/95/07/97/494950797.db2.gz HPRGNBCDVVMJMK-ZDUSSCGKSA-N -1 3 356.813 3.386 20 0 FGADHM 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DKEMRLFBXUKRNS-UHFFFAOYSA-N -1 3 362.835 3.043 20 0 FGADHM CCOC(=O)c1ccc(NC(=O)Cc2cnc3ccccc3c2)c([O-])c1 ZINC000133170924 494979882 /nfs/dbraw/zinc/97/98/82/494979882.db2.gz LVQJKOJPTNHKJS-UHFFFAOYSA-N -1 3 350.374 3.298 20 0 FGADHM CN(C)Cc1ccc(C[N-]S(=O)(=O)c2c(F)cccc2Cl)cc1F ZINC000133200599 494983727 /nfs/dbraw/zinc/98/37/27/494983727.db2.gz VMNAPYQWJGGPON-UHFFFAOYSA-N -1 3 374.840 3.158 20 0 FGADHM O=S(=O)([N-]CCC[C@@H]1CCCC[C@@H]1O)c1ccccc1C(F)(F)F ZINC000127701822 494984200 /nfs/dbraw/zinc/98/42/00/494984200.db2.gz RBXCVKRENHEECK-JSGCOSHPSA-N -1 3 365.417 3.315 20 0 FGADHM COC(=O)c1cccc(CN2CCC(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000127758611 494993218 /nfs/dbraw/zinc/99/32/18/494993218.db2.gz RXXCYTOAUVYJIM-UHFFFAOYSA-N -1 3 353.418 3.274 20 0 FGADHM COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)c1cccc(C)c1[O-] ZINC000127845391 495006731 /nfs/dbraw/zinc/00/67/31/495006731.db2.gz XZFLLTPIJXBEAN-UHFFFAOYSA-N -1 3 362.813 3.073 20 0 FGADHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(-n3cnnc3C)c2)cc1C ZINC000127844625 495006956 /nfs/dbraw/zinc/00/69/56/495006956.db2.gz DUQNNUHRQFPRJH-UHFFFAOYSA-N -1 3 372.450 3.002 20 0 FGADHM O=C(CCCCCc1cccs1)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000110786713 495010096 /nfs/dbraw/zinc/01/00/96/495010096.db2.gz MZOVPAHDLUVWLL-UHFFFAOYSA-N -1 3 355.467 3.348 20 0 FGADHM O=C(CCCCCc1cccs1)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000110786713 495010098 /nfs/dbraw/zinc/01/00/98/495010098.db2.gz MZOVPAHDLUVWLL-UHFFFAOYSA-N -1 3 355.467 3.348 20 0 FGADHM Cn1cc([C@H]2N(C(=O)c3cc([O-])ccc3C(F)(F)F)CC2(C)C)cn1 ZINC000574365912 505756159 /nfs/dbraw/zinc/75/61/59/505756159.db2.gz KNNPVHFEYXRLSG-CQSZACIVSA-N -1 3 353.344 3.368 20 0 FGADHM O=C(NCc1nc2ccc(F)cc2[nH]1)c1ccc(Br)c([O-])c1 ZINC000133555453 495027987 /nfs/dbraw/zinc/02/79/87/495027987.db2.gz VLKFDNHFWBQJFA-UHFFFAOYSA-N -1 3 364.174 3.100 20 0 FGADHM C[C@@H]1Sc2ccc(-c3nc(-c4ccc5n[n-]nc5c4)no3)cc2NC1=O ZINC000568707704 505756960 /nfs/dbraw/zinc/75/69/60/505756960.db2.gz LMSGLKKRTBVKES-QMMMGPOBSA-N -1 3 364.390 3.108 20 0 FGADHM COc1ccc([O-])c(C(=O)N(Cc2cccc(F)c2)C[C@@H]2CCCO2)c1 ZINC000122866257 495043294 /nfs/dbraw/zinc/04/32/94/495043294.db2.gz DTBOGJVXOARVGX-KRWDZBQOSA-N -1 3 359.397 3.361 20 0 FGADHM Cc1ccc(-c2nnc(NC(=O)c3csc(-c4ccc(C)n4C)n3)[n-]2)o1 ZINC000123011539 495066783 /nfs/dbraw/zinc/06/67/83/495066783.db2.gz LVUYPXKXZDMQLR-UHFFFAOYSA-N -1 3 368.422 3.396 20 0 FGADHM COC(=O)c1c(C)nc(=O)[n-]c1S[C@@H]1CCc2c1cccc2Cl ZINC000119000482 495067404 /nfs/dbraw/zinc/06/74/04/495067404.db2.gz YMWVVXKXAXJAPY-GFCCVEGCSA-N -1 3 350.827 3.298 20 0 FGADHM CC[C@@H](C)n1ncc2c1nc(C)cc2C(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000101636221 495087668 /nfs/dbraw/zinc/08/76/68/495087668.db2.gz GVIIPIZNDRDRAI-LLVKDONJSA-N -1 3 365.397 3.341 20 0 FGADHM CC[C@@H](C)n1ncc2c1nc(C)cc2C(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000101636221 495087673 /nfs/dbraw/zinc/08/76/73/495087673.db2.gz GVIIPIZNDRDRAI-LLVKDONJSA-N -1 3 365.397 3.341 20 0 FGADHM CC[C@@H](C)n1ncc2c1nc(C)cc2C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000101636221 495087676 /nfs/dbraw/zinc/08/76/76/495087676.db2.gz GVIIPIZNDRDRAI-LLVKDONJSA-N -1 3 365.397 3.341 20 0 FGADHM CCCc1cc(C(=O)N2CCN(C(=O)c3cccc([O-])c3)CC2)sc1C ZINC000101679148 495091313 /nfs/dbraw/zinc/09/13/13/495091313.db2.gz ASXUSASZNQONDP-UHFFFAOYSA-N -1 3 372.490 3.313 20 0 FGADHM Cc1nn(C)c2ncc(C(=O)Nc3ccc([O-])c(C(F)(F)F)c3)cc12 ZINC000134130020 495110362 /nfs/dbraw/zinc/11/03/62/495110362.db2.gz HFVUPMXALZQVDP-UHFFFAOYSA-N -1 3 350.300 3.253 20 0 FGADHM Cc1cccc(-c2cncc(C(=O)Nc3cc(-c4nccn4C)[n-]n3)c2)c1 ZINC000119265561 495129733 /nfs/dbraw/zinc/12/97/33/495129733.db2.gz TUVWKQZISIJBNF-UHFFFAOYSA-N -1 3 358.405 3.433 20 0 FGADHM Cc1cccc(-c2cncc(C(=O)Nc3cc(-c4nccn4C)n[n-]3)c2)c1 ZINC000119265561 495129738 /nfs/dbraw/zinc/12/97/38/495129738.db2.gz TUVWKQZISIJBNF-UHFFFAOYSA-N -1 3 358.405 3.433 20 0 FGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)Cc1coc2cc(OC)ccc12 ZINC000134289676 495130462 /nfs/dbraw/zinc/13/04/62/495130462.db2.gz QODGEVQKFMZXLN-UHFFFAOYSA-N -1 3 372.377 3.350 20 0 FGADHM CC[C@@H]([N-]S(=O)(=O)c1ccc(OC)c(Cl)c1)c1c(C)noc1C ZINC000119316390 495140744 /nfs/dbraw/zinc/14/07/44/495140744.db2.gz PQMXUGLSSXNJSW-CYBMUJFWSA-N -1 3 358.847 3.383 20 0 FGADHM CC[C@@H]([N-]S(=O)(=O)c1cc(OC)ccc1Cl)c1c(C)noc1C ZINC000119339291 495145800 /nfs/dbraw/zinc/14/58/00/495145800.db2.gz MQUYHCGXBQKHHX-CYBMUJFWSA-N -1 3 358.847 3.383 20 0 FGADHM Cc1ccn(-c2ccccc2C[N-]S(=O)(=O)c2ccc(C)cc2F)n1 ZINC000134447711 495150981 /nfs/dbraw/zinc/15/09/81/495150981.db2.gz STYNXZZNZOJLKN-UHFFFAOYSA-N -1 3 359.426 3.107 20 0 FGADHM Cc1cc(C(=O)Nc2nnc(-c3ccco3)[n-]2)nn1-c1ccc(F)cc1F ZINC000123672962 495169011 /nfs/dbraw/zinc/16/90/11/495169011.db2.gz ZKMQABZTGZYOEU-UHFFFAOYSA-N -1 3 370.319 3.089 20 0 FGADHM Cc1cc(C(=O)Nc2nc(-c3ccco3)n[n-]2)nn1-c1ccc(F)cc1F ZINC000123672962 495169013 /nfs/dbraw/zinc/16/90/13/495169013.db2.gz ZKMQABZTGZYOEU-UHFFFAOYSA-N -1 3 370.319 3.089 20 0 FGADHM Cc1cc(C(=O)Nc2n[n-]c(-c3ccco3)n2)nn1-c1ccc(F)cc1F ZINC000123672962 495169016 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COc1cccc(C(=O)N(Cc2ccccc2)CC2(O)CCCC2)c1[O-] ZINC000119601570 495199145 /nfs/dbraw/zinc/19/91/45/495199145.db2.gz NDDDCLIKIIFFDD-UHFFFAOYSA-N -1 3 355.434 3.348 20 0 FGADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1csc(-c2ccc(F)cc2)n1 ZINC000123895211 495203562 /nfs/dbraw/zinc/20/35/62/495203562.db2.gz UFVLOFUJBKUINI-UHFFFAOYSA-N -1 3 357.292 3.338 20 0 FGADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1csc(-c2ccc(F)cc2)n1 ZINC000123895211 495203563 /nfs/dbraw/zinc/20/35/63/495203563.db2.gz UFVLOFUJBKUINI-UHFFFAOYSA-N -1 3 357.292 3.338 20 0 FGADHM CCOC(=O)c1nnc([N-]C(=O)c2cc3c(s2)CC[C@@H](C)C3)s1 ZINC000119693042 495219843 /nfs/dbraw/zinc/21/98/43/495219843.db2.gz CFPSTAZSXOBWHK-MRVPVSSYSA-N -1 3 351.453 3.153 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]C[C@H](c2ccccc2)C(C)(C)CO)c(F)c1 ZINC000129354500 495233221 /nfs/dbraw/zinc/23/32/21/495233221.db2.gz DYEPASTYOKBXDU-MRXNPFEDSA-N -1 3 365.470 3.215 20 0 FGADHM CC(C)C[C@H](CCO)C[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000124108686 495235372 /nfs/dbraw/zinc/23/53/72/495235372.db2.gz 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ZINC000113199489 495283066 /nfs/dbraw/zinc/28/30/66/495283066.db2.gz RUNCIHMABRREKR-GOSISDBHSA-N -1 3 361.873 3.438 20 0 FGADHM O=C([N-]c1nc2ccc(F)cn2n1)c1csc(Cc2ccc(F)cc2)n1 ZINC000129741362 495288571 /nfs/dbraw/zinc/28/85/71/495288571.db2.gz DBOIORKDJFRQOF-UHFFFAOYSA-N -1 3 371.372 3.307 20 0 FGADHM O=C(Nc1cccc([O-])c1F)c1ccc(OCC(F)(F)C(F)F)nc1 ZINC000129741061 495288627 /nfs/dbraw/zinc/28/86/27/495288627.db2.gz IXWVSLBGMGJBHS-UHFFFAOYSA-N -1 3 362.254 3.458 20 0 FGADHM CC(=O)N[C@@H](CC(=O)Nc1ccc([O-])cc1F)c1ccc(F)cc1F ZINC000124526863 495302520 /nfs/dbraw/zinc/30/25/20/495302520.db2.gz SOKJTDOHVTVUPI-INIZCTEOSA-N -1 3 352.312 3.016 20 0 FGADHM CS(=O)(=O)c1ccc(Cl)c([N-]C(=O)c2noc3c2CCCCC3)c1 ZINC000124557479 495306495 /nfs/dbraw/zinc/30/64/95/495306495.db2.gz PKCJFATUDZMZFQ-UHFFFAOYSA-N -1 3 368.842 3.253 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](C)Cc2nc3ccccc3s2)c1 ZINC000104871730 495311402 /nfs/dbraw/zinc/31/14/02/495311402.db2.gz MCEWDEIKZLKICI-LLVKDONJSA-N -1 3 369.446 3.321 20 0 FGADHM CC(C)c1cccc(O[C@H](C)C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)c1 ZINC000135577726 495314087 /nfs/dbraw/zinc/31/40/87/495314087.db2.gz VRAHCDAFSIMRAP-CQSZACIVSA-N -1 3 365.437 3.320 20 0 FGADHM CC(C)c1cccc(O[C@H](C)C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)c1 ZINC000135577726 495314092 /nfs/dbraw/zinc/31/40/92/495314092.db2.gz VRAHCDAFSIMRAP-CQSZACIVSA-N -1 3 365.437 3.320 20 0 FGADHM CN1C(=O)CCc2cc(NC(=O)c3ccc4c(c3[O-])OC(C)(C)C4)ccc21 ZINC000104918685 495315601 /nfs/dbraw/zinc/31/56/01/495315601.db2.gz GFQFBQUAFNTLHC-UHFFFAOYSA-N -1 3 366.417 3.267 20 0 FGADHM Cc1nc(S(=O)(=O)[C@@H](C)c2nc(C(C)C)no2)[n-]c1Cc1ccccc1 ZINC000113636643 495323603 /nfs/dbraw/zinc/32/36/03/495323603.db2.gz DTZYLZISZPYGAI-ZDUSSCGKSA-N -1 3 374.466 3.350 20 0 FGADHM Cc1[n-]c(S(=O)(=O)[C@@H](C)c2nc(C(C)C)no2)nc1Cc1ccccc1 ZINC000113636643 495323606 /nfs/dbraw/zinc/32/36/06/495323606.db2.gz DTZYLZISZPYGAI-ZDUSSCGKSA-N -1 3 374.466 3.350 20 0 FGADHM CC1CCC([N-]S(=O)(=O)Cc2nc(-c3ccccc3Cl)no2)CC1 ZINC000113734850 495328125 /nfs/dbraw/zinc/32/81/25/495328125.db2.gz QMUCCQJHUUJGAX-UHFFFAOYSA-N -1 3 369.874 3.388 20 0 FGADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(-c3nc(C)no3)c2)cc1 ZINC000113744398 495328541 /nfs/dbraw/zinc/32/85/41/495328541.db2.gz JDDXQDFHSIOMMF-UHFFFAOYSA-N -1 3 359.407 3.163 20 0 FGADHM Cc1cnn(Cc2cc(C(=O)[N-]c3nc4ccc(C)cc4s3)no2)c1 ZINC000130090719 495339716 /nfs/dbraw/zinc/33/97/16/495339716.db2.gz QDDAFBMHEQYUSS-UHFFFAOYSA-N -1 3 353.407 3.398 20 0 FGADHM COc1cccc([C@@H](CNC(=O)Cc2ccc([O-])cc2Cl)N(C)C)c1 ZINC000136060664 495353147 /nfs/dbraw/zinc/35/31/47/495353147.db2.gz QWNMFWCABCSOAI-GOSISDBHSA-N -1 3 362.857 3.016 20 0 FGADHM C[C@@H](CC1CCCCC1)C(=O)Nc1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000114241846 495356483 /nfs/dbraw/zinc/35/64/83/495356483.db2.gz RWPIBBVROMATPC-RNODOKPDSA-N -1 3 357.454 3.286 20 0 FGADHM O=C(Cc1ccc([O-])cc1Cl)NCc1cccnc1OCC(F)(F)F ZINC000136147796 495358828 /nfs/dbraw/zinc/35/88/28/495358828.db2.gz AOKVPXPKOIOTHQ-UHFFFAOYSA-N -1 3 374.746 3.241 20 0 FGADHM C[C@H](CNC(=O)Cc1ccc([O-])cc1Cl)N1CCc2ccccc2C1 ZINC000136221172 495365630 /nfs/dbraw/zinc/36/56/30/495365630.db2.gz FCXICJFNKFHRMP-CQSZACIVSA-N -1 3 358.869 3.151 20 0 FGADHM COc1ccc(-c2nnc([N-]C(=O)c3cnc4onc(C)c4c3)s2)cc1 ZINC000136303996 495371198 /nfs/dbraw/zinc/37/11/98/495371198.db2.gz APTWHBOEYFMYGV-UHFFFAOYSA-N -1 3 367.390 3.311 20 0 FGADHM CCOc1ccc(C(=O)N[C@H](C(=O)Nc2ccccc2[O-])C(C)C)cc1 ZINC000120446342 495380670 /nfs/dbraw/zinc/38/06/70/495380670.db2.gz CCNZOXZYALYDHD-SFHVURJKSA-N -1 3 356.422 3.184 20 0 FGADHM CCOc1ccc(C(=O)N[C@@H](C(=O)Nc2ccccc2[O-])C(C)C)cc1 ZINC000120446490 495380748 /nfs/dbraw/zinc/38/07/48/495380748.db2.gz CCNZOXZYALYDHD-GOSISDBHSA-N -1 3 356.422 3.184 20 0 FGADHM O=C(Nc1nnc(-c2ccco2)[n-]1)c1cncc(-c2ccc3c(c2)CCO3)c1 ZINC000125051303 495382691 /nfs/dbraw/zinc/38/26/91/495382691.db2.gz BFUYRTYZCMZUJT-UHFFFAOYSA-N -1 3 373.372 3.314 20 0 FGADHM O=C(Nc1nc(-c2ccco2)n[n-]1)c1cncc(-c2ccc3c(c2)CCO3)c1 ZINC000125051303 495382694 /nfs/dbraw/zinc/38/26/94/495382694.db2.gz BFUYRTYZCMZUJT-UHFFFAOYSA-N -1 3 373.372 3.314 20 0 FGADHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1cncc(-c2ccc3c(c2)CCO3)c1 ZINC000125051303 495382698 /nfs/dbraw/zinc/38/26/98/495382698.db2.gz BFUYRTYZCMZUJT-UHFFFAOYSA-N -1 3 373.372 3.314 20 0 FGADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cc(F)c(F)cc3F)cc2)n1 ZINC000130440453 495392839 /nfs/dbraw/zinc/39/28/39/495392839.db2.gz HUFMFCKXIZSKEK-UHFFFAOYSA-N -1 3 359.307 3.415 20 0 FGADHM COc1ccc([O-])c(C(=O)NCc2cccc(NC(=O)CC(C)C)c2)c1 ZINC000120512920 495395331 /nfs/dbraw/zinc/39/53/31/495395331.db2.gz JIRQZDPMEJSFSS-UHFFFAOYSA-N -1 3 356.422 3.315 20 0 FGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)c2nc3ccccc3s2)c1 ZINC000125136299 495396077 /nfs/dbraw/zinc/39/60/77/495396077.db2.gz JRSCDEXHENEIMZ-UHFFFAOYSA-N -1 3 361.448 3.229 20 0 FGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)CCO[C@@H](C)CC(C)C)c1 ZINC000120550951 495403192 /nfs/dbraw/zinc/40/31/92/495403192.db2.gz CVJNPHXEWRQYGU-AWEZNQCLSA-N -1 3 356.488 3.146 20 0 FGADHM C[C@H](NC(=O)c1cccs1)C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000125252951 495414318 /nfs/dbraw/zinc/41/43/18/495414318.db2.gz QKBQNVYSNJQHHF-QMMMGPOBSA-N -1 3 358.341 3.230 20 0 FGADHM Cc1ccsc1[C@@H](CO)[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000125282660 495419430 /nfs/dbraw/zinc/41/94/30/495419430.db2.gz SMTWVWZLJNZAOE-GFCCVEGCSA-N -1 3 366.291 3.375 20 0 FGADHM Cc1cc(C)n(CC2CCN(Cc3cc(=O)oc4cc([O-])ccc34)CC2)n1 ZINC000106188398 495428028 /nfs/dbraw/zinc/42/80/28/495428028.db2.gz MKLOOZJJATTWLL-UHFFFAOYSA-N -1 3 367.449 3.224 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C)c2cn(C(C)(C)C)nc2C)c1 ZINC000137296926 495435075 /nfs/dbraw/zinc/43/50/75/495435075.db2.gz JPNGUROIUFIADS-NSHDSACASA-N -1 3 358.442 3.102 20 0 FGADHM COCc1ccc([C@@H]2CCCN2C(=O)c2cc(NC(C)=O)ccc2[O-])o1 ZINC000137467029 495441591 /nfs/dbraw/zinc/44/15/91/495441591.db2.gz UIFDSTLJTVEMJY-INIZCTEOSA-N -1 3 358.394 3.067 20 0 FGADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1c[nH]nc1-c1ccccc1Cl ZINC000125447237 495445994 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Cc1ccccc1OC[C@H](O)CN1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000125635557 495475070 /nfs/dbraw/zinc/47/50/70/495475070.db2.gz AXDMSEYACSPQRI-HXUWFJFHSA-N -1 3 369.461 3.035 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)NC[C@H]2CCCO[C@H]2c2ccccc2)c1 ZINC000131001791 495478099 /nfs/dbraw/zinc/47/80/99/495478099.db2.gz OMJNFTAOYRYSAB-UZLBHIALSA-N -1 3 368.433 3.248 20 0 FGADHM CC[C@@H](C)[C@H](C)NC(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000139713537 495482465 /nfs/dbraw/zinc/48/24/65/495482465.db2.gz LSTZGJAJEMMSCJ-NEPJUHHUSA-N -1 3 357.476 3.013 20 0 FGADHM CCc1cc(=O)[n-]c(CSCc2nc(-c3ccccc3OC)no2)n1 ZINC000125693158 495483678 /nfs/dbraw/zinc/48/36/78/495483678.db2.gz USARFKJGAXDXRC-UHFFFAOYSA-N -1 3 358.423 3.237 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]Cc2cncc(C)c2)c(Cl)c1Cl ZINC000120910446 495484068 /nfs/dbraw/zinc/48/40/68/495484068.db2.gz SNVWDPBJXGXDNH-UHFFFAOYSA-N -1 3 361.250 3.184 20 0 FGADHM COC(=O)c1ccc(F)c([N-]C(=O)c2cn(-c3ccccc3Cl)nn2)c1 ZINC000120953736 495491824 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O=C([N-]c1nnc(C(F)F)s1)c1ccn(-c2c(F)cccc2F)n1 ZINC000176183007 495535413 /nfs/dbraw/zinc/53/54/13/495535413.db2.gz KKRYRDBPROWKFN-UHFFFAOYSA-N -1 3 357.292 3.192 20 0 FGADHM O=C(CNC(=O)c1c[n-]c2ccccc2c1=O)Nc1cccc(C(F)F)c1 ZINC000170635978 495541196 /nfs/dbraw/zinc/54/11/96/495541196.db2.gz VSAAPXUMEQBXST-UHFFFAOYSA-N -1 3 371.343 3.247 20 0 FGADHM CC[C@@H](C)C[C@H]([N-]S(=O)(=O)Cc1ccc(C(F)F)cc1)C(=O)OC ZINC000571675408 505788182 /nfs/dbraw/zinc/78/81/82/505788182.db2.gz VGBBRSADCPKQOP-RISCZKNCSA-N -1 3 363.426 3.021 20 0 FGADHM Cc1csc([C@H]([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)C2CC2)n1 ZINC000173464812 495542492 /nfs/dbraw/zinc/54/24/92/495542492.db2.gz RWMMNPJOMCFUCT-BDJLRTHQSA-N -1 3 364.492 3.205 20 0 FGADHM Cc1csc([C@@H]([N-]S(=O)(=O)Cc2ccc(Cl)nc2)C2CC2)n1 ZINC000173464524 495542595 /nfs/dbraw/zinc/54/25/95/495542595.db2.gz JTQKLFILZJPRAO-ZDUSSCGKSA-N -1 3 357.888 3.071 20 0 FGADHM C[C@@H](C(=O)Nc1ccc(F)c([N-]S(C)(=O)=O)c1)c1c(F)cccc1F ZINC000179377116 495566872 /nfs/dbraw/zinc/56/68/72/495566872.db2.gz WAKIZDITGNYURS-SECBINFHSA-N -1 3 372.368 3.218 20 0 FGADHM C[C@@H](O)CC(C)(C)C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000182476196 495577532 /nfs/dbraw/zinc/57/75/32/495577532.db2.gz YRLAYQAFXVNYMW-SECBINFHSA-N -1 3 373.824 3.434 20 0 FGADHM CO[C@H](C)C(=O)Nc1cccc(NC(=O)c2ccc3c(c2[O-])CCCC3)c1 ZINC000185444312 495579075 /nfs/dbraw/zinc/57/90/75/495579075.db2.gz NVCXYPHSJMAWTG-CYBMUJFWSA-N -1 3 368.433 3.497 20 0 FGADHM CC[C@H]1CCCN(C(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])C1 ZINC000179425258 495586770 /nfs/dbraw/zinc/58/67/70/495586770.db2.gz IJJDHFKLELWGKM-ZDUSSCGKSA-N -1 3 357.410 3.203 20 0 FGADHM CC[C@@H](NCc1cc([O-])cc(F)c1)c1ccccc1OCC(=O)N(C)C ZINC000185473523 495590130 /nfs/dbraw/zinc/59/01/30/495590130.db2.gz JPOVUQYYXLWWFO-GOSISDBHSA-N -1 3 360.429 3.239 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H](C)CC2)c1 ZINC000179461309 495599795 /nfs/dbraw/zinc/59/97/95/495599795.db2.gz USDGOGMZTZVENG-GFCCVEGCSA-N -1 3 357.410 3.203 20 0 FGADHM COC(=O)[C@@H](C)SCc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000154382274 495599876 /nfs/dbraw/zinc/59/98/76/495599876.db2.gz FMWWTCUBDRLMIQ-MRVPVSSYSA-N -1 3 350.421 3.039 20 0 FGADHM COc1cc(C(=O)N2CCc3[nH]c4ccc(F)cc4c3C2)cc(OC)c1[O-] ZINC000179461338 495600048 /nfs/dbraw/zinc/60/00/48/495600048.db2.gz MYWOOLCPWDQKMF-UHFFFAOYSA-N -1 3 370.380 3.228 20 0 FGADHM Cc1ccc(C(F)(F)F)cc1NC(=O)[C@H]1CC[C@H](C(F)(F)F)[N-]C1=O ZINC000173618717 495616707 /nfs/dbraw/zinc/61/67/07/495616707.db2.gz WMXGBNOOFXRXTC-MWLCHTKSSA-N -1 3 368.277 3.409 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)Nc2ccc(COC(C)C)cc2)c([O-])c1 ZINC000170828145 495618021 /nfs/dbraw/zinc/61/80/21/495618021.db2.gz SQOYUAGFTBVVRH-UHFFFAOYSA-N -1 3 370.449 3.384 20 0 FGADHM CCC(CC)c1cc(C(=O)[N-]c2nc(CCC(=O)OC)cs2)on1 ZINC000158951421 495623314 /nfs/dbraw/zinc/62/33/14/495623314.db2.gz BQKIDJAVNMCVCS-UHFFFAOYSA-N -1 3 351.428 3.393 20 0 FGADHM CC[C@H]1CCCCN1C(=O)C(=O)[N-]c1scc(C2CC2)c1C(=O)OC ZINC000176377446 495626744 /nfs/dbraw/zinc/62/67/44/495626744.db2.gz AFUJRDRRIRTCBV-LBPRGKRZSA-N -1 3 364.467 3.142 20 0 FGADHM COc1ccc([C@@H](C)CCNC(=O)c2c[n-]c3ccccc3c2=O)cc1 ZINC000150771574 495629006 /nfs/dbraw/zinc/62/90/06/495629006.db2.gz KINZZLCNLWVYGS-AWEZNQCLSA-N -1 3 350.418 3.460 20 0 FGADHM COc1ccc([C@H](NC(=O)c2cccc(OC)c2[O-])C(F)(F)F)cc1 ZINC000182596390 495629749 /nfs/dbraw/zinc/62/97/49/495629749.db2.gz XURUEBPXRNWBFJ-HNNXBMFYSA-N -1 3 355.312 3.443 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CC[C@@H](CC(C)C)C2)c1 ZINC000179530705 495630727 /nfs/dbraw/zinc/63/07/27/495630727.db2.gz HHYNEGGZPSLMRJ-AWEZNQCLSA-N -1 3 371.437 3.449 20 0 FGADHM Cc1cc(Cl)cc(NC(=O)[C@H]2CCCN(C(=O)c3ccncc3)C2)c1[O-] ZINC000173647448 495632347 /nfs/dbraw/zinc/63/23/47/495632347.db2.gz YUWFZFPAJZDXRT-AWEZNQCLSA-N -1 3 373.840 3.240 20 0 FGADHM CCc1cc(=O)[n-]c(CN2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)n1 ZINC000182603516 495632430 /nfs/dbraw/zinc/63/24/30/495632430.db2.gz TULYVIYJJPFMLP-HNNXBMFYSA-N -1 3 367.371 3.337 20 0 FGADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCO2)cc1 ZINC000154510176 495638504 /nfs/dbraw/zinc/63/85/04/495638504.db2.gz GFBGYEKITPYGKT-KRWDZBQOSA-N -1 3 374.462 3.222 20 0 FGADHM CCCc1ccccc1NC(=O)NCCCNC(=O)c1cccc([O-])c1 ZINC000154574719 495658931 /nfs/dbraw/zinc/65/89/31/495658931.db2.gz BLLUDJZJMNWLGA-UHFFFAOYSA-N -1 3 355.438 3.286 20 0 FGADHM COc1cccc(C(=O)NCc2nccn2CCCc2ccccc2)c1[O-] ZINC000176514402 495678691 /nfs/dbraw/zinc/67/86/91/495678691.db2.gz HYHHLNTZHLCEGF-UHFFFAOYSA-N -1 3 365.433 3.160 20 0 FGADHM Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)c2ccc3n[n-]nc3c2)C1 ZINC000171011905 495688581 /nfs/dbraw/zinc/68/85/81/495688581.db2.gz MFVLJQREFXIRCO-CYBMUJFWSA-N -1 3 369.856 3.176 20 0 FGADHM O=C(NCc1ccnc(Oc2ccc(F)cc2)c1)c1cccc2nn[n-]c21 ZINC000182754808 495690587 /nfs/dbraw/zinc/69/05/87/495690587.db2.gz DWWJVECBHAWWIK-UHFFFAOYSA-N -1 3 363.352 3.214 20 0 FGADHM O=C(NCc1ccnc(Oc2ccc(F)cc2)c1)c1cccc2[n-]nnc21 ZINC000182754808 495690596 /nfs/dbraw/zinc/69/05/96/495690596.db2.gz DWWJVECBHAWWIK-UHFFFAOYSA-N -1 3 363.352 3.214 20 0 FGADHM O=C(NCc1ccnc(Oc2ccc(F)cc2)c1)c1cccc2n[n-]nc21 ZINC000182754808 495690602 /nfs/dbraw/zinc/69/06/02/495690602.db2.gz DWWJVECBHAWWIK-UHFFFAOYSA-N -1 3 363.352 3.214 20 0 FGADHM Cc1cc(NCc2nc(C(F)(F)F)cc(=O)[n-]2)nn1-c1cccc(F)c1 ZINC000182759468 495691130 /nfs/dbraw/zinc/69/11/30/495691130.db2.gz OLCZGGKMYWTGAD-UHFFFAOYSA-N -1 3 367.306 3.446 20 0 FGADHM NC(=O)CSc1ccccc1[N-]C(=O)c1ccc(F)c(Cl)c1F ZINC000182776201 495698566 /nfs/dbraw/zinc/69/85/66/495698566.db2.gz LERPVFPRCGJOGE-UHFFFAOYSA-N -1 3 356.781 3.448 20 0 FGADHM O=S(=O)(Cc1noc2ccccc21)[N-][C@H](c1ccccc1)[C@@H]1CCCO1 ZINC000185751007 495709756 /nfs/dbraw/zinc/70/97/56/495709756.db2.gz BSZMCJKQLRSJKG-RBUKOAKNSA-N -1 3 372.446 3.168 20 0 FGADHM CCCSCC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000176628300 495726533 /nfs/dbraw/zinc/72/65/33/495726533.db2.gz CPBRPLXGEGGQAB-UHFFFAOYSA-N -1 3 370.902 3.366 20 0 FGADHM Cc1ccc(C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)cn1 ZINC000176628025 495726790 /nfs/dbraw/zinc/72/67/90/495726790.db2.gz RMDUIOQMINQSKH-UHFFFAOYSA-N -1 3 373.840 3.240 20 0 FGADHM CC(C)(COc1ncccc1Br)NC(=O)c1cccc([O-])c1 ZINC000182853270 495728303 /nfs/dbraw/zinc/72/83/03/495728303.db2.gz UAHSSVHGDFTTFC-UHFFFAOYSA-N -1 3 365.227 3.137 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCC(C(C)C)CC2)c1 ZINC000182872070 495736019 /nfs/dbraw/zinc/73/60/19/495736019.db2.gz HDXUGSRGIGMJRK-UHFFFAOYSA-N -1 3 371.437 3.449 20 0 FGADHM COC(=O)c1ccc(C(=O)Nc2cc(Cc3ccccc3)ccc2[O-])cn1 ZINC000179808778 495742383 /nfs/dbraw/zinc/74/23/83/495742383.db2.gz VGIBLQOZZHPIMZ-UHFFFAOYSA-N -1 3 362.385 3.417 20 0 FGADHM CC[C@@H](C(=O)Nc1cc(Cc2ccccc2)ccc1[O-])N1CCCC1=O ZINC000179810031 495744011 /nfs/dbraw/zinc/74/40/11/495744011.db2.gz DKCWIAYXEUBCPU-SFHVURJKSA-N -1 3 352.434 3.323 20 0 FGADHM C[C@@H](NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C1CC1 ZINC000182906966 495751832 /nfs/dbraw/zinc/75/18/32/495751832.db2.gz JGZYIUSOANQRBZ-KUHUBIRLSA-N -1 3 352.434 3.168 20 0 FGADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2Cl)cc1 ZINC000176728235 495764483 /nfs/dbraw/zinc/76/44/83/495764483.db2.gz VDWVBFDGKKGYHW-UHFFFAOYSA-N -1 3 360.769 3.377 20 0 FGADHM O=C(c1ccc(CN2CCCC2=O)cc1)N1CCCc2cccc([O-])c21 ZINC000182939169 495766481 /nfs/dbraw/zinc/76/64/81/495766481.db2.gz NSMXSASWBAGGEQ-UHFFFAOYSA-N -1 3 350.418 3.108 20 0 FGADHM COc1cccc([C@H](C)C(=O)Nc2cc(C)ccc2[N-]S(C)(=O)=O)c1 ZINC000173970662 495768803 /nfs/dbraw/zinc/76/88/03/495768803.db2.gz JRVIRTFSZOAVSR-ZDUSSCGKSA-N -1 3 362.451 3.117 20 0 FGADHM Cc1cc(C(=O)Nc2cc(C)ccc2[N-]S(C)(=O)=O)c(C)n1C1CC1 ZINC000173974593 495770059 /nfs/dbraw/zinc/77/00/59/495770059.db2.gz YZGZRTSELJHAOA-UHFFFAOYSA-N -1 3 361.467 3.372 20 0 FGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)Cc2ccc3c(c2)CCC3)c1 ZINC000173974831 495770250 /nfs/dbraw/zinc/77/02/50/495770250.db2.gz VKXPEKVTEAOVEQ-UHFFFAOYSA-N -1 3 358.463 3.036 20 0 FGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)c2cc3c(cccc3F)[nH]2)c1 ZINC000173972788 495770344 /nfs/dbraw/zinc/77/03/44/495770344.db2.gz CNMSKYOJUUYQEJ-UHFFFAOYSA-N -1 3 361.398 3.239 20 0 FGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)c2cccc3ncccc32)c1 ZINC000173982467 495775355 /nfs/dbraw/zinc/77/53/55/495775355.db2.gz ZXYVYJPTQSBBNU-UHFFFAOYSA-N -1 3 355.419 3.167 20 0 FGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)CSc2ccccc2C)c1 ZINC000173982999 495775743 /nfs/dbraw/zinc/77/57/43/495775743.db2.gz ZGSUQYRGQIZJEL-UHFFFAOYSA-N -1 3 364.492 3.406 20 0 FGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)c2ccc3c(c2)CCCC3)c1 ZINC000173984778 495777105 /nfs/dbraw/zinc/77/71/05/495777105.db2.gz MCFJPTSKWCSSJB-UHFFFAOYSA-N -1 3 358.463 3.498 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]CCc2nc(C(F)(F)F)cs2)c(F)c1 ZINC000174033382 495796059 /nfs/dbraw/zinc/79/60/59/495796059.db2.gz DMUYIFKOGBZQRR-UHFFFAOYSA-N -1 3 368.377 3.130 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1ccc2c(c1)CCCC2)c1nc(C(C)(C)C)no1 ZINC000174040856 495799769 /nfs/dbraw/zinc/79/97/69/495799769.db2.gz TUHNMBPOHYOKRP-GFCCVEGCSA-N -1 3 363.483 3.285 20 0 FGADHM CCC[C@@H](C)CS(=O)(=O)[N-][C@@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000174043959 495800581 /nfs/dbraw/zinc/80/05/81/495800581.db2.gz ZYEPJWWKJUHCEO-NEPJUHHUSA-N -1 3 355.435 3.292 20 0 FGADHM O=S(=O)([N-][C@H]([C@@H](CO)C1CC1)C1CC1)c1ccc2ccccc2c1F ZINC000571750792 505805787 /nfs/dbraw/zinc/80/57/87/505805787.db2.gz GRWVWLHUECXQKX-LPHOPBHVSA-N -1 3 363.454 3.054 20 0 FGADHM COCCOC[C@@H]1CCN([C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)C1 ZINC000580652167 505806103 /nfs/dbraw/zinc/80/61/03/505806103.db2.gz CCVVOJBQPMFWAR-ABAIWWIYSA-N -1 3 362.253 3.104 20 0 FGADHM CC[C@](C)([N-]S(=O)(=O)c1cccc2c1N=S=N2)c1nccs1 ZINC000151456625 495845907 /nfs/dbraw/zinc/84/59/07/495845907.db2.gz VPPCLZAFSZCAKD-ZDUSSCGKSA-N -1 3 354.482 3.473 20 0 FGADHM COc1ccc(C(=O)[N-]c2nnc(-c3c(F)cccc3Cl)s2)nn1 ZINC000186089614 495851263 /nfs/dbraw/zinc/85/12/63/495851263.db2.gz ABMOSVDLAVXDPN-UHFFFAOYSA-N -1 3 365.777 3.049 20 0 FGADHM Cc1c(Br)scc1C(=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000186115830 495861043 /nfs/dbraw/zinc/86/10/43/495861043.db2.gz AWUOLBXAKRNLIN-UHFFFAOYSA-N -1 3 364.228 3.251 20 0 FGADHM Cc1c(Br)scc1C(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000186115830 495861048 /nfs/dbraw/zinc/86/10/48/495861048.db2.gz AWUOLBXAKRNLIN-UHFFFAOYSA-N -1 3 364.228 3.251 20 0 FGADHM Cc1c(Br)scc1C(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000186115830 495861052 /nfs/dbraw/zinc/86/10/52/495861052.db2.gz AWUOLBXAKRNLIN-UHFFFAOYSA-N -1 3 364.228 3.251 20 0 FGADHM COc1cc(CC(=O)NCc2ccc([O-])c(Br)c2)ccc1C ZINC000151534322 495870263 /nfs/dbraw/zinc/87/02/63/495870263.db2.gz WVKADCHYEFZSAP-UHFFFAOYSA-N -1 3 364.239 3.331 20 0 FGADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CC[C@]2(CCOC2)C1 ZINC000155195830 495870740 /nfs/dbraw/zinc/87/07/40/495870740.db2.gz DHKASNZPFOEYAA-QFIPXVFZSA-N -1 3 351.446 3.430 20 0 FGADHM O=C(NCc1ccc([O-])c(Br)c1)c1cc2c(s1)CCOC2 ZINC000151576874 495884621 /nfs/dbraw/zinc/88/46/21/495884621.db2.gz RJWTZPXSZIJKPR-UHFFFAOYSA-N -1 3 368.252 3.219 20 0 FGADHM COCCOc1ccc(C(=O)NCc2ccc([O-])c(F)c2)c(Cl)c1 ZINC000186178113 495886178 /nfs/dbraw/zinc/88/61/78/495886178.db2.gz BPBMGJLYLIMXDU-UHFFFAOYSA-N -1 3 353.777 3.140 20 0 FGADHM O=C(Cc1cccc(I)c1)Nc1ccc([O-])cc1F ZINC000183237945 495892712 /nfs/dbraw/zinc/89/27/12/495892712.db2.gz YPHJJAKMXBNWBW-UHFFFAOYSA-N -1 3 371.149 3.317 20 0 FGADHM CN(Cc1cc([O-])cc(F)c1)[C@@H](CO)c1cccc(Br)c1 ZINC000186254189 495916379 /nfs/dbraw/zinc/91/63/79/495916379.db2.gz RATIMCWBONBJEN-INIZCTEOSA-N -1 3 354.219 3.459 20 0 FGADHM CCCc1nc(C[S@](=O)Cc2nc(C(F)(F)F)cc(=O)[n-]2)cs1 ZINC000155345480 495927508 /nfs/dbraw/zinc/92/75/08/495927508.db2.gz BLGMNDYWZOMTRN-HSZRJFAPSA-N -1 3 365.402 3.059 20 0 FGADHM Cc1nn(C)c(C)c1-c1cc(C(=O)N2CC[C@@H](C)c3cccc([O-])c32)n[nH]1 ZINC000186291677 495931413 /nfs/dbraw/zinc/93/14/13/495931413.db2.gz LDUUXBMPDPCPCG-LLVKDONJSA-N -1 3 365.437 3.287 20 0 FGADHM CCOC(=O)c1cn(C)nc1[N-]C(=O)c1cc(-c2cccc(Cl)c2)no1 ZINC000183339524 495937788 /nfs/dbraw/zinc/93/77/88/495937788.db2.gz OIKPXKRROYOPAK-UHFFFAOYSA-N -1 3 374.784 3.158 20 0 FGADHM O=C(NCC1CCN(Cc2cccs2)CC1)c1cc(F)c([O-])c(F)c1 ZINC000177127929 495938647 /nfs/dbraw/zinc/93/86/47/495938647.db2.gz JUUCRWFQVMAFKL-UHFFFAOYSA-N -1 3 366.433 3.374 20 0 FGADHM C[C@@H]1CCN(C(=O)CCc2nc(-c3ccncc3)no2)c2c([O-])cccc21 ZINC000186314097 495943177 /nfs/dbraw/zinc/94/31/77/495943177.db2.gz FERKYLHJFRAVMO-CYBMUJFWSA-N -1 3 364.405 3.310 20 0 FGADHM O=C1[C@H]([N-]c2nnc(C(F)(F)F)s2)CCN1c1cccc(Cl)c1 ZINC000155403500 495946486 /nfs/dbraw/zinc/94/64/86/495946486.db2.gz MAFJUMBAZIOVIN-SECBINFHSA-N -1 3 362.764 3.428 20 0 FGADHM CC(C)OCCS(=O)(=O)[N-]c1ccc(Br)c(Cl)c1 ZINC000160371373 495947940 /nfs/dbraw/zinc/94/79/40/495947940.db2.gz WUEJHJOPZPXRJI-UHFFFAOYSA-N -1 3 356.669 3.269 20 0 FGADHM C[C@H]1CCN(C(=O)C2CCN(C(=O)N3CCCC3)CC2)c2c([O-])cccc21 ZINC000186327014 495949282 /nfs/dbraw/zinc/94/92/82/495949282.db2.gz RFBRMSOIOCKGKC-HNNXBMFYSA-N -1 3 371.481 3.160 20 0 FGADHM C[C@H]1CCN(C(=O)CC2(N3CCOCC3)CCCC2)c2c([O-])cccc21 ZINC000186340585 495955481 /nfs/dbraw/zinc/95/54/81/495955481.db2.gz GCZKFBURNCVJAZ-INIZCTEOSA-N -1 3 358.482 3.268 20 0 FGADHM C[C@@H]1CCN(C(=O)c2cn(Cc3cccc(F)c3)nn2)c2c([O-])cccc21 ZINC000186341969 495955500 /nfs/dbraw/zinc/95/55/00/495955500.db2.gz JHWKXBKEQLADFY-CYBMUJFWSA-N -1 3 366.396 3.325 20 0 FGADHM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)c(F)c1 ZINC000171639180 495959508 /nfs/dbraw/zinc/95/95/08/495959508.db2.gz SOBVVMBKUZQYOO-UHFFFAOYSA-N -1 3 361.753 3.206 20 0 FGADHM Cc1nc(C)c(CCC(=O)Nc2ccccc2CC(F)(F)F)c(=O)[n-]1 ZINC000174460427 495968097 /nfs/dbraw/zinc/96/80/97/495968097.db2.gz JHYYEUQVPKVMSW-UHFFFAOYSA-N -1 3 353.344 3.063 20 0 FGADHM COc1ncnc(OC)c1C(=O)[N-]c1nc(-c2ccccc2C)cs1 ZINC000171658020 495976632 /nfs/dbraw/zinc/97/66/32/495976632.db2.gz SRYHKFKMHCMEJS-UHFFFAOYSA-N -1 3 356.407 3.178 20 0 FGADHM COc1ncnc(OC)c1C(=O)[N-]c1nc(-c2ccc(F)cc2)c(C)s1 ZINC000171657578 495976793 /nfs/dbraw/zinc/97/67/93/495976793.db2.gz OEYFDIMMACTQRU-UHFFFAOYSA-N -1 3 374.397 3.317 20 0 FGADHM COc1ncnc(OC)c1C(=O)[N-]c1nc(-c2ccc(C)cc2C)cs1 ZINC000171657646 495976862 /nfs/dbraw/zinc/97/68/62/495976862.db2.gz XLMTWSPZFYWINA-UHFFFAOYSA-N -1 3 370.434 3.486 20 0 FGADHM C[C@H](Cc1ccccc1F)C(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000155535453 495986801 /nfs/dbraw/zinc/98/68/01/495986801.db2.gz GSZTYZFOTALKGN-GFCCVEGCSA-N -1 3 350.415 3.015 20 0 FGADHM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(OC(F)F)cc3)ccc2O1 ZINC000171703840 495995356 /nfs/dbraw/zinc/99/53/56/495995356.db2.gz LOWURMTYIGFETM-JTQLQIEISA-N -1 3 355.362 3.412 20 0 FGADHM O=C(c1cc(N2CCNC2=O)ccc1Cl)N1CCCc2cccc([O-])c21 ZINC000155563388 495995890 /nfs/dbraw/zinc/99/58/90/495995890.db2.gz MROOJFGRVJNBIE-UHFFFAOYSA-N -1 3 371.824 3.168 20 0 FGADHM C[C@]1(C(=O)Nc2ccc([O-])cc2F)CCCN(C(=O)c2ccccc2)C1 ZINC000180465048 496006577 /nfs/dbraw/zinc/00/65/77/496006577.db2.gz BXRWEACWCHJCSB-FQEVSTJZSA-N -1 3 356.397 3.412 20 0 FGADHM Cc1ccc([C@H](CNC(=O)c2cc(F)c(F)c([O-])c2F)N(C)C)cc1 ZINC000183499140 496010660 /nfs/dbraw/zinc/01/06/60/496010660.db2.gz BVNGAJQESDXHBI-AWEZNQCLSA-N -1 3 352.356 3.151 20 0 FGADHM O=C(NCC1(CCOCc2ccccc2)CC1)c1ccc2n[n-]nc2c1 ZINC000186517697 496027779 /nfs/dbraw/zinc/02/77/79/496027779.db2.gz DZCNIAGHQPYUIZ-UHFFFAOYSA-N -1 3 350.422 3.075 20 0 FGADHM O=S(=O)([N-][C@H](c1ccccc1)c1cccnc1)c1ccc(F)cc1F ZINC000171768474 496028232 /nfs/dbraw/zinc/02/82/32/496028232.db2.gz YDHCKCXURYTOHQ-GOSISDBHSA-N -1 3 360.385 3.428 20 0 FGADHM CCCCC1CCC([N-]S(=O)(=O)c2cnc(NC(C)=O)s2)CC1 ZINC000580705636 505818894 /nfs/dbraw/zinc/81/88/94/505818894.db2.gz DRUXSJRXXHVNFW-UHFFFAOYSA-N -1 3 359.517 3.129 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1)c1nc(-c2cccc(F)c2)no1 ZINC000171803169 496041783 /nfs/dbraw/zinc/04/17/83/496041783.db2.gz IBNVNQUHMRUHBW-JTQLQIEISA-N -1 3 365.361 3.054 20 0 FGADHM O=C(c1ccc2c(c1[O-])CCCC2)N1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000183606831 496044886 /nfs/dbraw/zinc/04/48/86/496044886.db2.gz DHXUQHMYVRFDJB-OAHLLOKOSA-N -1 3 366.465 3.286 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CC[C@H](C)[C@@H](C)C2)c1 ZINC000183613203 496049413 /nfs/dbraw/zinc/04/94/13/496049413.db2.gz DXNCGSQSGHNRMY-RYUDHWBXSA-N -1 3 357.410 3.059 20 0 FGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccc(C)c(OC)c2)c1 ZINC000171835010 496056598 /nfs/dbraw/zinc/05/65/98/496056598.db2.gz SZYWOVXDIAAAIM-UHFFFAOYSA-N -1 3 355.843 3.144 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-]Cc1ccc(C(F)(F)F)cc1 ZINC000177492904 496084408 /nfs/dbraw/zinc/08/44/08/496084408.db2.gz AUCPXGOZWVZNLZ-UHFFFAOYSA-N -1 3 351.371 3.254 20 0 FGADHM CCN(CC(C)C)C(=O)C(=O)[N-]c1scc(CC(C)C)c1C(=O)OC ZINC000174747717 496088333 /nfs/dbraw/zinc/08/83/33/496088333.db2.gz OPPAZLCVPWCITN-UHFFFAOYSA-N -1 3 368.499 3.176 20 0 FGADHM COC(=O)CCc1ccc(NC(=O)c2cn[n-]c2-c2ccsc2)cc1 ZINC000186650197 496090971 /nfs/dbraw/zinc/09/09/71/496090971.db2.gz FKOXSXBWRJYTFI-UHFFFAOYSA-N -1 3 355.419 3.496 20 0 FGADHM COC(=O)CCc1ccc(NC(=O)c2c[n-]nc2-c2ccsc2)cc1 ZINC000186650197 496090979 /nfs/dbraw/zinc/09/09/79/496090979.db2.gz FKOXSXBWRJYTFI-UHFFFAOYSA-N -1 3 355.419 3.496 20 0 FGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]Cc1ccc(Cl)c(C)c1 ZINC000186716806 496120567 /nfs/dbraw/zinc/12/05/67/496120567.db2.gz YRBKGDVVXMUIIL-UHFFFAOYSA-N -1 3 371.817 3.053 20 0 FGADHM CCOc1cc(C(=O)N2CCC[C@H]2CN2CCCC2)cc(Cl)c1[O-] ZINC000186718417 496120578 /nfs/dbraw/zinc/12/05/78/496120578.db2.gz ZUYVCOGTQFCSSL-AWEZNQCLSA-N -1 3 352.862 3.145 20 0 FGADHM CC(C)OC(=O)CCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000183801340 496121454 /nfs/dbraw/zinc/12/14/54/496121454.db2.gz UEPFWZWFFIVKEN-UHFFFAOYSA-N -1 3 354.255 3.004 20 0 FGADHM CCCC(=O)NC[C@@H]1CCCN(C(=O)c2c[n-]c3c(C)cccc3c2=O)C1 ZINC000156013059 496132353 /nfs/dbraw/zinc/13/23/53/496132353.db2.gz AWMKJQDCQZTENJ-HNNXBMFYSA-N -1 3 369.465 3.017 20 0 FGADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N[C@H]1CC=CCC1 ZINC000183864066 496140844 /nfs/dbraw/zinc/14/08/44/496140844.db2.gz AUFJRYBIUHTWQI-ICSRJNTNSA-N -1 3 364.445 3.478 20 0 FGADHM COc1cc(C(=O)N[C@H](c2nccs2)c2ccccc2)cc(OC)c1[O-] ZINC000152424216 496147265 /nfs/dbraw/zinc/14/72/65/496147265.db2.gz QFLVOHAICGECOI-INIZCTEOSA-N -1 3 370.430 3.385 20 0 FGADHM COc1ccc([O-])c(C(=O)Nc2ccc(NC[C@H]3CCCO3)c(F)c2)c1 ZINC000156100857 496158226 /nfs/dbraw/zinc/15/82/26/496158226.db2.gz USLNWLDIDNPXEX-CQSZACIVSA-N -1 3 360.385 3.383 20 0 FGADHM CC(C)(C)C1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])CC1 ZINC000172131363 496177822 /nfs/dbraw/zinc/17/78/22/496177822.db2.gz GAQUPUUFWDIAJD-KRWDZBQOSA-N -1 3 358.482 3.282 20 0 FGADHM C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)S(=O)(=O)c1cccc([O-])c1 ZINC000183977621 496185550 /nfs/dbraw/zinc/18/55/50/496185550.db2.gz PCSHVOYNWJTQSM-JTQLQIEISA-N -1 3 373.352 3.212 20 0 FGADHM CCOC(=O)c1c(C2CC2)csc1[N-]C(=O)C(=O)Nc1ccccc1 ZINC000156213752 496189358 /nfs/dbraw/zinc/18/93/58/496189358.db2.gz MIPLCUFNMXDRQS-UHFFFAOYSA-N -1 3 358.419 3.379 20 0 FGADHM C[C@@H](NC(=O)[C@H](C)S(=O)(=O)c1cccc([O-])c1)c1ccc(Cl)cc1 ZINC000183993901 496191996 /nfs/dbraw/zinc/19/19/96/496191996.db2.gz AQHXEDJWCSXYKB-NEPJUHHUSA-N -1 3 367.854 3.085 20 0 FGADHM Cc1ccc2c(c1)[C@H]([N-]S(=O)(=O)c1ccccc1C(F)(F)F)CO2 ZINC000152574376 496192021 /nfs/dbraw/zinc/19/20/21/496192021.db2.gz HDFSKVZXJYDHRL-CYBMUJFWSA-N -1 3 357.353 3.426 20 0 FGADHM C[C@@H](C(=O)Nc1ccc(Br)cc1)[S@@](=O)c1cccc([O-])c1 ZINC000184060489 496222402 /nfs/dbraw/zinc/22/24/02/496222402.db2.gz YYRJZVUYWDPLJO-CHNSCGDPSA-N -1 3 368.252 3.290 20 0 FGADHM C[C@H](C(=O)Nc1ccc(Br)cc1)[S@](=O)c1cccc([O-])c1 ZINC000184060538 496222475 /nfs/dbraw/zinc/22/24/75/496222475.db2.gz YYRJZVUYWDPLJO-UZJPJQLHSA-N -1 3 368.252 3.290 20 0 FGADHM CC(C)Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCN3C(N)=O)cc1 ZINC000156398340 496234764 /nfs/dbraw/zinc/23/47/64/496234764.db2.gz FHGSFQDLQROHHS-UHFFFAOYSA-N -1 3 373.478 3.127 20 0 FGADHM COc1cc(C)c([C@@H](C)NC(=O)NCc2ccc([O-])c(F)c2)cc1OC ZINC000156421859 496241204 /nfs/dbraw/zinc/24/12/04/496241204.db2.gz YFZCVZCALAGIHX-GFCCVEGCSA-N -1 3 362.401 3.417 20 0 FGADHM CCOC(=O)c1sc([C@@H](C)[N-]S(=O)(=O)CC2CCCCC2)nc1C ZINC000152760593 496248758 /nfs/dbraw/zinc/24/87/58/496248758.db2.gz MQXHEKUAZPCHSH-GFCCVEGCSA-N -1 3 374.528 3.189 20 0 FGADHM COc1ccc(CN(C(=O)c2cc(C)ccc2[O-])[C@H](CO)C(C)C)cc1 ZINC000184133878 496252283 /nfs/dbraw/zinc/25/22/83/496252283.db2.gz ZNNPWIVEAVPUGT-LJQANCHMSA-N -1 3 357.450 3.369 20 0 FGADHM CCOC(=O)c1c(C2CC2)csc1[N-]C(=O)C(=O)N1CCCC1(C)C ZINC000175127129 496257702 /nfs/dbraw/zinc/25/77/02/496257702.db2.gz RVKCSOJBGFSYGC-UHFFFAOYSA-N -1 3 364.467 3.142 20 0 FGADHM CCCCN(C)S(=O)(=O)[N-]c1ccc(OC(F)F)c2cccnc12 ZINC000187073183 496281103 /nfs/dbraw/zinc/28/11/03/496281103.db2.gz XHMPWXMBBCOBRN-UHFFFAOYSA-N -1 3 359.398 3.225 20 0 FGADHM CCO[C@@H](C)c1nc(CN(C)C(=O)NCc2ccc([O-])c(F)c2)cs1 ZINC000175188756 496284896 /nfs/dbraw/zinc/28/48/96/496284896.db2.gz SUWXYUOPKQRJPX-NSHDSACASA-N -1 3 367.446 3.427 20 0 FGADHM COCc1cc(C(=O)[N-]c2nc(-c3ccccc3)c(C(C)=O)s2)no1 ZINC000175191881 496285869 /nfs/dbraw/zinc/28/58/69/496285869.db2.gz MWQXSVFAERKLIM-UHFFFAOYSA-N -1 3 357.391 3.399 20 0 FGADHM CCOCCOCc1cccc(NC([O-])=NOCCC(F)(F)F)c1 ZINC000156607331 496291349 /nfs/dbraw/zinc/29/13/49/496291349.db2.gz HCHYXQPRFVABBB-UHFFFAOYSA-N -1 3 350.337 3.245 20 0 FGADHM CCOCCOCc1cccc(NC(=O)[N-]OCCC(F)(F)F)c1 ZINC000156607331 496291354 /nfs/dbraw/zinc/29/13/54/496291354.db2.gz HCHYXQPRFVABBB-UHFFFAOYSA-N -1 3 350.337 3.245 20 0 FGADHM CC[C@@H](Cc1ccccc1)N(CC)C(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000162096863 496295428 /nfs/dbraw/zinc/29/54/28/496295428.db2.gz KMSXAHRHWJZYIX-SFHVURJKSA-N -1 3 355.482 3.189 20 0 FGADHM CC(C)c1cc(C(=O)NC[C@H]2CC(=O)N(C3CC3)C2)c([O-])c(C(C)C)c1 ZINC000181191761 496306020 /nfs/dbraw/zinc/30/60/20/496306020.db2.gz UXKJYKBGPUKCLB-CQSZACIVSA-N -1 3 358.482 3.380 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)NC[C@@H]3CCCO[C@@H]3C(C)C)c[n-]c12 ZINC000156682824 496309973 /nfs/dbraw/zinc/30/99/73/496309973.db2.gz VJBFRQMLTFKBEQ-ORAYPTAESA-N -1 3 360.429 3.157 20 0 FGADHM COc1cc(C(=O)N2CC[C@@H](Cc3ccc(F)cc3)C2)cc(OC)c1[O-] ZINC000162198679 496312704 /nfs/dbraw/zinc/31/27/04/496312704.db2.gz SCPSKLSEOWHXDF-AWEZNQCLSA-N -1 3 359.397 3.253 20 0 FGADHM C[C@@H](C(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccc(Br)cc1 ZINC000162237255 496319859 /nfs/dbraw/zinc/31/98/59/496319859.db2.gz HPQMBHNHBIRNIH-SNVBAGLBSA-N -1 3 372.226 3.371 20 0 FGADHM C[C@@H](C(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccc(Br)cc1 ZINC000162237255 496319864 /nfs/dbraw/zinc/31/98/64/496319864.db2.gz HPQMBHNHBIRNIH-SNVBAGLBSA-N -1 3 372.226 3.371 20 0 FGADHM CC(C)(C)c1csc(C[N-]S(=O)(=O)Cc2c(F)cccc2F)n1 ZINC000162261736 496324423 /nfs/dbraw/zinc/32/44/23/496324423.db2.gz ZYRZDEQRMPUDJH-UHFFFAOYSA-N -1 3 360.451 3.338 20 0 FGADHM COC[C@@H]([N-]S(=O)(=O)c1cccc(Br)c1)c1ccc(C)o1 ZINC000175346295 496348890 /nfs/dbraw/zinc/34/88/90/496348890.db2.gz RZSSHCNGRNVPLB-CYBMUJFWSA-N -1 3 374.256 3.017 20 0 FGADHM O=S(=O)(C[C@H]1CCCCO1)[N-]C(c1cccs1)c1cccs1 ZINC000172604177 496359224 /nfs/dbraw/zinc/35/92/24/496359224.db2.gz XWOCYSOVYFEENA-GFCCVEGCSA-N -1 3 357.522 3.388 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@@H]3CCCCO3)cc2)cc1 ZINC000153134462 496363721 /nfs/dbraw/zinc/36/37/21/496363721.db2.gz DIYUSASBJFKLCK-SFHVURJKSA-N -1 3 374.462 3.303 20 0 FGADHM Cc1ccc(-c2cc(C(=O)Nc3ccc(C(=O)N(C)C)c(C)c3)n[n-]2)o1 ZINC000172634966 496368835 /nfs/dbraw/zinc/36/88/35/496368835.db2.gz CAXYRZFVSDFKDH-UHFFFAOYSA-N -1 3 352.394 3.241 20 0 FGADHM Cc1ccc(-c2cc(C(=O)Nc3ccc(C(=O)N(C)C)c(C)c3)[n-]n2)o1 ZINC000172634966 496368840 /nfs/dbraw/zinc/36/88/40/496368840.db2.gz CAXYRZFVSDFKDH-UHFFFAOYSA-N -1 3 352.394 3.241 20 0 FGADHM CC(C)(C)[C@H]1CCCC[C@@H]1NC(=O)c1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000162596276 496380353 /nfs/dbraw/zinc/38/03/53/496380353.db2.gz IKMISCPRQZRVDF-CKJXQJPGSA-N -1 3 371.481 3.076 20 0 FGADHM COc1cc(C(=O)N2CCC(Nc3ccc(F)cc3)CC2)cc(OC)c1[O-] ZINC000162722510 496403338 /nfs/dbraw/zinc/40/33/38/496403338.db2.gz RULHOXHBTAYBBD-UHFFFAOYSA-N -1 3 374.412 3.265 20 0 FGADHM CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)c1ccccc1[O-] ZINC000157145383 496415738 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3.101 20 0 FGADHM O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)c1ccc2c(c1[O-])CCCC2 ZINC000185271645 496721773 /nfs/dbraw/zinc/72/17/73/496721773.db2.gz OSPMIIIYBSZNMA-UHFFFAOYSA-N -1 3 352.312 3.230 20 0 FGADHM Cc1cccc([N-]C(=O)c2sccc2S(=O)(=O)N2CCCC2)c1F ZINC000182322308 496729680 /nfs/dbraw/zinc/72/96/80/496729680.db2.gz GFCLVVFIRHETCX-UHFFFAOYSA-N -1 3 368.455 3.232 20 0 FGADHM CC(C)S(=O)(=O)c1ccc(CC(=O)N2CCCc3cccc([O-])c32)cc1 ZINC000182325394 496729826 /nfs/dbraw/zinc/72/98/26/496729826.db2.gz OFAFIKGZJIXLAN-UHFFFAOYSA-N -1 3 373.474 3.096 20 0 FGADHM CCCCCN1CC(=O)N[C@H]1c1cc(Br)c([O-])c(OCC)c1 ZINC000182332583 496730066 /nfs/dbraw/zinc/73/00/66/496730066.db2.gz AWJNJJSJUJMSKT-MRXNPFEDSA-N -1 3 371.275 3.174 20 0 FGADHM O=S(=O)([N-]c1cc(C(F)(F)F)ccc1F)c1ccc2c(c1)OCO2 ZINC000182357550 496731448 /nfs/dbraw/zinc/73/14/48/496731448.db2.gz VRWGLKWOBWRZDP-UHFFFAOYSA-N -1 3 363.288 3.374 20 0 FGADHM COc1cnc([N-]C(=O)c2snnc2C(C)(C)C)c(Br)c1 ZINC000569151059 505863384 /nfs/dbraw/zinc/86/33/84/505863384.db2.gz JMVPHSJMSKYKOT-UHFFFAOYSA-N -1 3 371.260 3.254 20 0 FGADHM O=C([N-]c1nnc(Cc2cccc(F)c2)s1)c1cn2ccnc2s1 ZINC000188317944 496750996 /nfs/dbraw/zinc/75/09/96/496750996.db2.gz MRCWJPZCGOHWKU-UHFFFAOYSA-N -1 3 359.411 3.230 20 0 FGADHM COc1ccc(OCc2ccccn2)c(CNC[C@@H](C(=O)[O-])C(C)C)c1 ZINC000277397849 496759887 /nfs/dbraw/zinc/75/98/87/496759887.db2.gz RSYQOKCSNYDJCC-GOSISDBHSA-N -1 3 358.438 3.116 20 0 FGADHM COc1ccc(OC)c([C@H]2C[C@@H]2C(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)c1 ZINC000188414854 496782686 /nfs/dbraw/zinc/78/26/86/496782686.db2.gz TYAJZMTWPPIZRA-OCCSQVGLSA-N -1 3 368.393 3.133 20 0 FGADHM COc1ccc(OC)c([C@H]2C[C@@H]2C(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)c1 ZINC000188414854 496782690 /nfs/dbraw/zinc/78/26/90/496782690.db2.gz TYAJZMTWPPIZRA-OCCSQVGLSA-N -1 3 368.393 3.133 20 0 FGADHM COc1ccc(OC)c([C@H]2C[C@@H]2C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)c1 ZINC000188414854 496782694 /nfs/dbraw/zinc/78/26/94/496782694.db2.gz TYAJZMTWPPIZRA-OCCSQVGLSA-N -1 3 368.393 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/nfs/dbraw/zinc/81/71/04/496817104.db2.gz JVMNJUPKYUJVEB-MRVPVSSYSA-N -1 3 352.238 3.498 20 0 FGADHM CO[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1OCCC1CC1 ZINC000188529651 496822175 /nfs/dbraw/zinc/82/21/75/496822175.db2.gz QTWLGPZDOWWFSX-RYUDHWBXSA-N -1 3 361.891 3.221 20 0 FGADHM O=C([O-])c1cccc(OCCN(CCc2ccccc2)[C@H]2CCOC2)c1 ZINC000572006281 505868142 /nfs/dbraw/zinc/86/81/42/505868142.db2.gz AFNZJKGGWBJAIV-IBGZPJMESA-N -1 3 355.434 3.097 20 0 FGADHM Cc1cc([N-]C(=O)[C@@H](C)N2CC[C@@H](OCCCc3ccccc3)C2)on1 ZINC000247277468 496823376 /nfs/dbraw/zinc/82/33/76/496823376.db2.gz XBIZMGWHEOUGDQ-SJLPKXTDSA-N -1 3 357.454 3.034 20 0 FGADHM COCCOC(=O)c1sc2[nH]c(-c3ccc([O-])cc3C)nc(=O)c2c1C ZINC000277595355 496824515 /nfs/dbraw/zinc/82/45/15/496824515.db2.gz WDYSYSUAGCLJOH-UHFFFAOYSA-N -1 3 374.418 3.190 20 0 FGADHM O=C(NCCc1nc2c(s1)CCCC2)c1cc(=O)c2ccccc2[n-]1 ZINC000264176391 496829462 /nfs/dbraw/zinc/82/94/62/496829462.db2.gz LAFUQGSCWGTAPI-UHFFFAOYSA-N -1 3 353.447 3.248 20 0 FGADHM C[C@H](NC(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1)C1CCOCC1 ZINC000188575691 496837582 /nfs/dbraw/zinc/83/75/82/496837582.db2.gz GDQYBZZRHRBVLX-AWEZNQCLSA-N -1 3 353.418 3.168 20 0 FGADHM COc1ccc([O-])c(C(=O)N2CCc3c(Br)cccc3C2)c1 ZINC000195203860 496848705 /nfs/dbraw/zinc/84/87/05/496848705.db2.gz CCMOIQJRXJAYLR-UHFFFAOYSA-N -1 3 362.223 3.362 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N[C@@H](C)COCC(F)(F)F)c[n-]c12 ZINC000269103648 496872214 /nfs/dbraw/zinc/87/22/14/496872214.db2.gz GRVMFYITUWDCLQ-VIFPVBQESA-N -1 3 360.307 3.085 20 0 FGADHM O=C(CCCc1ccc([O-])c(F)c1)NCC[C@@H]1C(=O)Nc2ccc(F)cc21 ZINC000578142954 505871591 /nfs/dbraw/zinc/87/15/91/505871591.db2.gz ZTJYVFIUKDADQY-AWEZNQCLSA-N -1 3 374.387 3.235 20 0 FGADHM CC[C@@H](C)[C@H]([N-]S(=O)(=O)c1ccc(C)c(NC(C)=O)c1)C(F)(F)F ZINC000277775772 496883729 /nfs/dbraw/zinc/88/37/29/496883729.db2.gz UPLODZVBSBXBIR-OTYXRUKQSA-N -1 3 366.405 3.209 20 0 FGADHM O=S(=O)([N-]CC1(c2ccccc2Br)CC1)c1ccco1 ZINC000188719266 496887429 /nfs/dbraw/zinc/88/74/29/496887429.db2.gz MMNIKXGBNRYNKA-UHFFFAOYSA-N -1 3 356.241 3.052 20 0 FGADHM COCC(C)(C)c1nc(Cc2nc(=O)c3c(C4CC4)csc3[n-]2)no1 ZINC000273730562 496887417 /nfs/dbraw/zinc/88/74/17/496887417.db2.gz KRBOCVYSYDYAFD-UHFFFAOYSA-N -1 3 360.439 3.172 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1c[nH]c2cccc(F)c21)c1nc(C(C)(C)C)no1 ZINC000195320420 496888218 /nfs/dbraw/zinc/88/82/18/496888218.db2.gz PYICNWKJMZRXOW-SECBINFHSA-N -1 3 366.418 3.027 20 0 FGADHM CCc1cc2c([n-]c(CC(=O)N[C@@H](CC)c3ccccc3)nc2=O)s1 ZINC000188732202 496891200 /nfs/dbraw/zinc/89/12/00/496891200.db2.gz KLQNVGLSWRVOML-HNNXBMFYSA-N -1 3 355.463 3.357 20 0 FGADHM CCCNC(=O)Cc1noc(-c2cc(Cc3ccccc3)ccc2[O-])n1 ZINC000277870270 496916674 /nfs/dbraw/zinc/91/66/74/496916674.db2.gz HXMDGYGFTOWAKG-UHFFFAOYSA-N -1 3 351.406 3.102 20 0 FGADHM CC[C@@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)c1nnc2n1CCCCC2 ZINC000264596234 496939690 /nfs/dbraw/zinc/93/96/90/496939690.db2.gz YQAMVICQTSGCJZ-CQSZACIVSA-N -1 3 365.437 3.139 20 0 FGADHM CC(C)OCCOCc1cccc(NC([O-])=NO[C@H]2CCCCO2)c1 ZINC000273887185 496945947 /nfs/dbraw/zinc/94/59/47/496945947.db2.gz AREDQUFQGBDKMB-KRWDZBQOSA-N -1 3 352.431 3.208 20 0 FGADHM CC(C)OCCOCc1cccc(NC(=O)[N-]O[C@H]2CCCCO2)c1 ZINC000273887185 496945950 /nfs/dbraw/zinc/94/59/50/496945950.db2.gz AREDQUFQGBDKMB-KRWDZBQOSA-N -1 3 352.431 3.208 20 0 FGADHM CC(C)[C@H](NC(=O)C(=O)[N-]c1cnns1)c1cccc(C(F)(F)F)c1 ZINC000192008494 496961357 /nfs/dbraw/zinc/96/13/57/496961357.db2.gz DNUGFTLJEWKWBY-LBPRGKRZSA-N -1 3 372.372 3.009 20 0 FGADHM O=C([N-]c1cnns1)C(=O)N[C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000192012010 496963563 /nfs/dbraw/zinc/96/35/63/496963563.db2.gz XOYLKKPBDATPII-CQSZACIVSA-N -1 3 364.858 3.178 20 0 FGADHM COC(=O)c1sc2[n-]c(CN(C)C3CCC(C)CC3)nc(=O)c2c1C ZINC000198203138 496965631 /nfs/dbraw/zinc/96/56/31/496965631.db2.gz PWFMEYZNXFJDIB-UHFFFAOYSA-N -1 3 363.483 3.090 20 0 FGADHM CCc1nc2c(s1)[C@@H](N(C)C(=O)c1cc(F)cc3[n-]nnc31)CCC2 ZINC000278006120 496969047 /nfs/dbraw/zinc/96/90/47/496969047.db2.gz DQLPGUXVARIBRN-ZDUSSCGKSA-N -1 3 359.430 3.266 20 0 FGADHM CCc1nc2c(s1)[C@@H](N(C)C(=O)c1cc(F)cc3nn[n-]c31)CCC2 ZINC000278006120 496969051 /nfs/dbraw/zinc/96/90/51/496969051.db2.gz DQLPGUXVARIBRN-ZDUSSCGKSA-N -1 3 359.430 3.266 20 0 FGADHM CCc1nc2c(s1)[C@@H](N(C)C(=O)c1cc(F)cc3n[n-]nc31)CCC2 ZINC000278006120 496969058 /nfs/dbraw/zinc/96/90/58/496969058.db2.gz DQLPGUXVARIBRN-ZDUSSCGKSA-N -1 3 359.430 3.266 20 0 FGADHM O=c1[nH]c(CC(F)(F)F)c([O-])n1-c1ccc(OCC(F)(F)F)cc1 ZINC000278038261 496981842 /nfs/dbraw/zinc/98/18/42/496981842.db2.gz KZTFFFNWPVCVAN-VIFPVBQESA-N -1 3 356.222 3.005 20 0 FGADHM CC(C)(C)c1ccc2cc(C(=O)N3CCc4nc[n-]c(=O)c4C3)[nH]c2c1 ZINC000269660528 496984634 /nfs/dbraw/zinc/98/46/34/496984634.db2.gz COLQHNCATWJWNX-UHFFFAOYSA-N -1 3 350.422 3.160 20 0 FGADHM COCCc1ccc(S(=O)(=O)[N-]c2c(C)cc(N(C)C)cc2C)cc1 ZINC000269695591 496990414 /nfs/dbraw/zinc/99/04/14/496990414.db2.gz KGFIUNJLQZKXSR-UHFFFAOYSA-N -1 3 362.495 3.359 20 0 FGADHM CCOc1cc(-c2noc([C@H]3CC(=O)N(C(CC)CC)C3)n2)ccc1[O-] ZINC000278086549 496999422 /nfs/dbraw/zinc/99/94/22/496999422.db2.gz ODSWAMCAFUHIHN-ZDUSSCGKSA-N -1 3 359.426 3.345 20 0 FGADHM CCOc1cc(-c2noc(C[C@H](C)NC(=O)C3CCCCC3)n2)ccc1[O-] ZINC000278110986 497008542 /nfs/dbraw/zinc/00/85/42/497008542.db2.gz QGFWVMZWJLVKRS-ZDUSSCGKSA-N -1 3 373.453 3.468 20 0 FGADHM O=C(N[C@@H](CCO)c1ccco1)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000189161597 497028667 /nfs/dbraw/zinc/02/86/67/497028667.db2.gz DDBYJFCUTFCNFF-SFHVURJKSA-N -1 3 365.385 3.070 20 0 FGADHM CCOC(=O)N(C)c1ccc(NC(=O)c2cc(OC)c([O-])c(OC)c2)cc1 ZINC000269966364 497033670 /nfs/dbraw/zinc/03/36/70/497033670.db2.gz UPADPBBJXSXHQG-UHFFFAOYSA-N -1 3 374.393 3.254 20 0 FGADHM CCOc1cc(CN2CCC[C@@H](N3CCCC3=O)CC2)cc(Cl)c1[O-] ZINC000574904383 505880707 /nfs/dbraw/zinc/88/07/07/505880707.db2.gz JDZZGAIUSRAPMU-OAHLLOKOSA-N -1 3 366.889 3.421 20 0 FGADHM CCc1ccc(C(=O)N2CCCN(C(=O)c3ccc(F)cc3)CC2)c([O-])c1 ZINC000189224629 497051499 /nfs/dbraw/zinc/05/14/99/497051499.db2.gz GHSXSUSYHYOGIQ-UHFFFAOYSA-N -1 3 370.424 3.082 20 0 FGADHM O=c1[nH]c(CC(F)(F)F)c([O-])n1-c1ccc(Cl)c(OC(F)F)c1 ZINC000278273909 497059793 /nfs/dbraw/zinc/05/97/93/497059793.db2.gz YQEATPOTUCOLMD-SSDOTTSWSA-N -1 3 358.650 3.319 20 0 FGADHM COc1ccccc1-c1nc(NC(=O)[C@@](C)(OC)c2ccccc2F)n[n-]1 ZINC000192334110 497076995 /nfs/dbraw/zinc/07/69/95/497076995.db2.gz QCQLMLQGWDJJKS-IBGZPJMESA-N -1 3 370.384 3.120 20 0 FGADHM C[C@@H]1NCCC[C@@H]1[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000189316152 497079387 /nfs/dbraw/zinc/07/93/87/497079387.db2.gz HPPVEZJSNOGEIT-CPCISQLKSA-N -1 3 357.690 3.066 20 0 FGADHM C[C@@H]1CCN(C(=O)c2cc(S(C)(=O)=O)ccc2F)c2c([O-])cccc21 ZINC000274399062 497088801 /nfs/dbraw/zinc/08/88/01/497088801.db2.gz RSHGJBHVHCDHMT-LLVKDONJSA-N -1 3 363.410 3.089 20 0 FGADHM CC(C)(C)OC(=O)[C@H]1CCCN(C(=O)c2cc(=O)c3ccccc3[n-]2)C1 ZINC000274402728 497089884 /nfs/dbraw/zinc/08/98/84/497089884.db2.gz KNMVHFLKBSKBKF-ZDUSSCGKSA-N -1 3 356.422 3.134 20 0 FGADHM CCOc1cc(CN2CCO[C@H]3CCC[C@H]32)cc(Br)c1[O-] ZINC000228143743 497093867 /nfs/dbraw/zinc/09/38/67/497093867.db2.gz PYGBXOPBVWNLNJ-KGLIPLIRSA-N -1 3 356.260 3.307 20 0 FGADHM O=C(c1ccc([O-])cc1)N1CCN(C(=O)c2ccc(C3CCC3)cc2)CC1 ZINC000189363353 497095852 /nfs/dbraw/zinc/09/58/52/497095852.db2.gz HYOWNLQYLHDUEL-UHFFFAOYSA-N -1 3 364.445 3.258 20 0 FGADHM Cc1nc([N-]C(=O)c2csc([C@H]3CCCO3)n2)n(-c2ccccc2)n1 ZINC000270323780 497100885 /nfs/dbraw/zinc/10/08/85/497100885.db2.gz KNLXYOMJLUATDQ-CQSZACIVSA-N -1 3 355.423 3.136 20 0 FGADHM C[C@@H]1CCC[C@H]1C[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000230710908 497107028 /nfs/dbraw/zinc/10/70/28/497107028.db2.gz APLXNARKAJLTCN-ZJUUUORDSA-N -1 3 350.253 3.303 20 0 FGADHM [O-]C(=NOC[C@H]1CCOC1)Nc1cc2c(cc1Br)CCC2 ZINC000278457842 497121823 /nfs/dbraw/zinc/12/18/23/497121823.db2.gz HASDSSKVRPROLV-JTQLQIEISA-N -1 3 355.232 3.027 20 0 FGADHM O=C([N-]OC[C@H]1CCOC1)Nc1cc2c(cc1Br)CCC2 ZINC000278457842 497121828 /nfs/dbraw/zinc/12/18/28/497121828.db2.gz HASDSSKVRPROLV-JTQLQIEISA-N -1 3 355.232 3.027 20 0 FGADHM O=C([N-]OC[C@H]1CCOC1)Nc1cccc(COc2cccc(F)c2)c1 ZINC000189489033 497135392 /nfs/dbraw/zinc/13/53/92/497135392.db2.gz MVGKAEBQKIPBQO-HNNXBMFYSA-N -1 3 360.385 3.494 20 0 FGADHM CC(C)c1ccc([C@@H](N)C[N-]S(=O)(=O)c2cccc(F)c2F)cc1 ZINC000236742751 497141054 /nfs/dbraw/zinc/14/10/54/497141054.db2.gz GROMGHPRKJRNSU-HNNXBMFYSA-N -1 3 354.422 3.067 20 0 FGADHM Cc1ccc(C(=O)Nc2ccc(C(=O)NCC(F)(F)F)cc2)c([O-])c1 ZINC000192543667 497145012 /nfs/dbraw/zinc/14/50/12/497145012.db2.gz JERVBCPFKZZZQE-UHFFFAOYSA-N -1 3 352.312 3.245 20 0 FGADHM COC(=O)CCCc1nnc([N-]C(=O)c2ccc(Cl)cc2F)s1 ZINC000265694050 497162389 /nfs/dbraw/zinc/16/23/89/497162389.db2.gz ANLPDWZEXMEPEN-UHFFFAOYSA-N -1 3 357.794 3.079 20 0 FGADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1cc(Cl)ccc1N1CCSCC1 ZINC000274779362 497162699 /nfs/dbraw/zinc/16/26/99/497162699.db2.gz KCHYWAXQKNCURT-OAHLLOKOSA-N -1 3 371.890 3.473 20 0 FGADHM O=C([N-]O[C@@H]1CCCCO1)Nc1cc(Cl)ccc1N1CCSCC1 ZINC000274779362 497162707 /nfs/dbraw/zinc/16/27/07/497162707.db2.gz KCHYWAXQKNCURT-OAHLLOKOSA-N -1 3 371.890 3.473 20 0 FGADHM [O-]C(=NO[C@H]1CCCCO1)Nc1cc(Cl)ccc1N1CCSCC1 ZINC000274779360 497163310 /nfs/dbraw/zinc/16/33/10/497163310.db2.gz KCHYWAXQKNCURT-HNNXBMFYSA-N -1 3 371.890 3.473 20 0 FGADHM O=C([N-]O[C@H]1CCCCO1)Nc1cc(Cl)ccc1N1CCSCC1 ZINC000274779360 497163311 /nfs/dbraw/zinc/16/33/11/497163311.db2.gz KCHYWAXQKNCURT-HNNXBMFYSA-N -1 3 371.890 3.473 20 0 FGADHM O=C(NCc1ccccc1)c1cccc(NC([O-])=NO[C@H]2CCCCO2)c1 ZINC000274842264 497180413 /nfs/dbraw/zinc/18/04/13/497180413.db2.gz OSSNZTLLEGVZBA-SFHVURJKSA-N -1 3 369.421 3.196 20 0 FGADHM O=C([N-]O[C@H]1CCCCO1)Nc1cccc(C(=O)NCc2ccccc2)c1 ZINC000274842264 497180416 /nfs/dbraw/zinc/18/04/16/497180416.db2.gz OSSNZTLLEGVZBA-SFHVURJKSA-N -1 3 369.421 3.196 20 0 FGADHM COCCCOc1cccc(NC(=O)c2cc(OC)c([O-])c(OC)c2)c1 ZINC000270703222 497183294 /nfs/dbraw/zinc/18/32/94/497183294.db2.gz AFNHSSWHJANSQT-UHFFFAOYSA-N -1 3 361.394 3.077 20 0 FGADHM COc1cccc(C(=O)N2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)c1[O-] ZINC000578221718 505890967 /nfs/dbraw/zinc/89/09/67/505890967.db2.gz XEUGEQFKMXUSME-CQSZACIVSA-N -1 3 373.371 3.222 20 0 FGADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCO[C@H](c3ccc(F)cc3Cl)C2)n1 ZINC000192790815 497215122 /nfs/dbraw/zinc/21/51/22/497215122.db2.gz QQBINRREYLYPCZ-ABAIWWIYSA-N -1 3 351.809 3.418 20 0 FGADHM COc1ncccc1C(=O)[N-]c1nnc(Cc2ccc(Cl)cc2)s1 ZINC000189745006 497230451 /nfs/dbraw/zinc/23/04/51/497230451.db2.gz VYMRNBLXPFVYKJ-UHFFFAOYSA-N -1 3 360.826 3.438 20 0 FGADHM COC[C@H]([N-]S(=O)(=O)c1cccc(F)c1F)c1ccc(Cl)cc1 ZINC000192925447 497248377 /nfs/dbraw/zinc/24/83/77/497248377.db2.gz XJMKSGLRSRWFQB-ZDUSSCGKSA-N -1 3 361.797 3.284 20 0 FGADHM Cc1sc2ncn([N-]C(=O)c3cccc4c3OCC4(C)C)c(=O)c2c1C ZINC000278884883 497255646 /nfs/dbraw/zinc/25/56/46/497255646.db2.gz CZONYGQKNPPAFS-UHFFFAOYSA-N -1 3 369.446 3.129 20 0 FGADHM CCOC(=O)[C@@]1(C(C)C)CCN(C(=O)Cc2ccc([O-])cc2Cl)C1 ZINC000192949716 497256195 /nfs/dbraw/zinc/25/61/95/497256195.db2.gz PITSQKRHHMWCPQ-SFHVURJKSA-N -1 3 353.846 3.026 20 0 FGADHM CC(C)c1nnc([C@@H]2CN(C(=O)c3ccc(C(C)C)cc3[O-])CCO2)o1 ZINC000275230187 497261135 /nfs/dbraw/zinc/26/11/35/497261135.db2.gz AOVJHJKZGWUMNX-INIZCTEOSA-N -1 3 359.426 3.236 20 0 FGADHM O=C(N[C@@H]1CCC[C@@H]2OCC[C@H]21)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000250130329 497261792 /nfs/dbraw/zinc/26/17/92/497261792.db2.gz WZBIPJISYPWFIB-WCQGTBRESA-N -1 3 351.859 3.479 20 0 FGADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H](C)c2ccccn2)s1 ZINC000266208778 497280271 /nfs/dbraw/zinc/28/02/71/497280271.db2.gz MSKPEGCFBBTREY-VIFPVBQESA-N -1 3 361.286 3.254 20 0 FGADHM C[C@@H](CN1CCC[C@H](C)C1)NC(=O)c1cc(Br)ccc1[O-] ZINC000252124513 497297640 /nfs/dbraw/zinc/29/76/40/497297640.db2.gz JWOYVMSDKXYFIQ-RYUDHWBXSA-N -1 3 355.276 3.005 20 0 FGADHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CCO1 ZINC000271316772 497319055 /nfs/dbraw/zinc/31/90/55/497319055.db2.gz XQWNFBDSKADGOQ-PSASIEDQSA-N -1 3 357.781 3.205 20 0 FGADHM NC(=O)c1ccc(NC(=O)c2cc([O-])ccc2C(F)(F)F)cc1Cl ZINC000193213659 497324776 /nfs/dbraw/zinc/32/47/76/497324776.db2.gz GONNOPDTCWMDHT-UHFFFAOYSA-N -1 3 358.703 3.416 20 0 FGADHM Cn1nc(-c2cccs2)nc1[N-]C(=O)c1coc(-c2ccccc2)n1 ZINC000193214485 497326057 /nfs/dbraw/zinc/32/60/57/497326057.db2.gz YXNLGPWVKZEAOO-UHFFFAOYSA-N -1 3 351.391 3.451 20 0 FGADHM CCCCOc1ccc(C(=O)N[C@H](C)c2nnc3ccccn32)c([O-])c1 ZINC000190037311 497334118 /nfs/dbraw/zinc/33/41/18/497334118.db2.gz UJJCYBQRXKPEGZ-CYBMUJFWSA-N -1 3 354.410 3.105 20 0 FGADHM CCn1ccnc1[C@H]1OCCC[C@@H]1NC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000190097429 497355525 /nfs/dbraw/zinc/35/55/25/497355525.db2.gz SBTWEAXYMPVMDH-HKUYNNGSSA-N -1 3 369.465 3.138 20 0 FGADHM Cc1nc(C)c(CCC(=O)N2C[C@H](C)C[C@@H]2c2ccccc2F)c(=O)[n-]1 ZINC000266492610 497356818 /nfs/dbraw/zinc/35/68/18/497356818.db2.gz QRORSAILTCMAQV-KZULUSFZSA-N -1 3 357.429 3.480 20 0 FGADHM COc1ccccc1[C@@H](CNC(=O)c1ccc(O)cc1[O-])N1CCCCC1 ZINC000193353590 497359063 /nfs/dbraw/zinc/35/90/63/497359063.db2.gz MNUNINBDBSLSNV-GOSISDBHSA-N -1 3 370.449 3.063 20 0 FGADHM COc1cccc(C(=O)Nc2ccc(C)c(C(=O)N(C)C(C)C)c2)c1[O-] ZINC000193397391 497370110 /nfs/dbraw/zinc/37/01/10/497370110.db2.gz UTQXQONEIAMQCN-UHFFFAOYSA-N -1 3 356.422 3.442 20 0 FGADHM O[C@@H]1CCN(Cc2ccccc2CN=c2nc(C3CCCCC3)[n-]s2)C1 ZINC000581064959 505902306 /nfs/dbraw/zinc/90/23/06/505902306.db2.gz DMKZWHHOYHEKMF-GOSISDBHSA-N -1 3 372.538 3.186 20 0 FGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2CCC[C@@H](C)[C@H]2C)cc1OC ZINC000266569713 497372739 /nfs/dbraw/zinc/37/27/39/497372739.db2.gz XIPXDIATDXTXCG-CHWSQXEVSA-N -1 3 369.487 3.109 20 0 FGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2CCC[C@H](C)[C@@H]2C)cc1OC ZINC000266569725 497373448 /nfs/dbraw/zinc/37/34/48/497373448.db2.gz XIPXDIATDXTXCG-STQMWFEESA-N -1 3 369.487 3.109 20 0 FGADHM CCOc1ccccc1C(F)(F)C(=O)[N-]Cc1nnc(SC)s1 ZINC000275586052 497373550 /nfs/dbraw/zinc/37/35/50/497373550.db2.gz FPGNUPJXSKLJIL-UHFFFAOYSA-N -1 3 359.423 3.067 20 0 FGADHM Cc1cc(C(=O)Nc2ccc(F)c([N-]S(C)(=O)=O)c2)nc2ccccc12 ZINC000193502631 497398178 /nfs/dbraw/zinc/39/81/78/497398178.db2.gz ZWFINJQETYLKKB-UHFFFAOYSA-N -1 3 373.409 3.306 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1cccc2c1OCO2)c1nc(C(C)(C)C)cs1 ZINC000575020701 505906415 /nfs/dbraw/zinc/90/64/15/505906415.db2.gz PJIQQGMHDBYTRU-JTQLQIEISA-N -1 3 368.480 3.209 20 0 FGADHM CCc1cc(=O)[n-]c(CSCC(=O)N[C@H](c2ccccc2)C2CC2)n1 ZINC000193690375 497447193 /nfs/dbraw/zinc/44/71/93/497447193.db2.gz RIGWAYCEKZABFT-LJQANCHMSA-N -1 3 357.479 3.245 20 0 FGADHM Cc1nc(-c2cc3c(s2)CCN(C(=O)c2cc(C)nc(=O)[n-]2)C3)cs1 ZINC000271793987 497451331 /nfs/dbraw/zinc/45/13/31/497451331.db2.gz MATPMXXABOCWEQ-UHFFFAOYSA-N -1 3 372.475 3.183 20 0 FGADHM C[C@H](CNC(=O)c1c[n-]c2ccccc2c1=O)COCc1ccccc1 ZINC000193711855 497454303 /nfs/dbraw/zinc/45/43/03/497454303.db2.gz CNIJTIXAGLQNCY-OAHLLOKOSA-N -1 3 350.418 3.111 20 0 FGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H]2CC23CCSCC3)c1 ZINC000569328734 505908757 /nfs/dbraw/zinc/90/87/57/505908757.db2.gz AHPGCMRRQJMGPK-LLVKDONJSA-N -1 3 361.916 3.160 20 0 FGADHM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]C1CCCCC1 ZINC000190427125 497475620 /nfs/dbraw/zinc/47/56/20/497475620.db2.gz HZFWSWRWVFXAEK-LBPRGKRZSA-N -1 3 361.891 3.365 20 0 FGADHM CSc1nsc([N-]C(=O)c2nn(-c3c(F)cccc3F)cc2C)n1 ZINC000190455955 497486288 /nfs/dbraw/zinc/48/62/88/497486288.db2.gz XBJLMNGJPIKVQW-UHFFFAOYSA-N -1 3 367.406 3.285 20 0 FGADHM CCc1[nH]nc(C(=O)N2CCCc3cccc([O-])c32)c1Br ZINC000279633848 497493424 /nfs/dbraw/zinc/49/34/24/497493424.db2.gz BZPRLAGXIIHFPZ-UHFFFAOYSA-N -1 3 350.216 3.033 20 0 FGADHM CCOC(CCNC(=O)c1c[n-]nc1-c1ccc(Cl)s1)OCC ZINC000276144372 497507246 /nfs/dbraw/zinc/50/72/46/497507246.db2.gz BTPXJOVVCVLYOU-UHFFFAOYSA-N -1 3 357.863 3.311 20 0 FGADHM COc1cc(C(=O)NCCCNc2ccc(C(F)(F)F)cn2)ccc1[O-] ZINC000276155885 497510001 /nfs/dbraw/zinc/51/00/01/497510001.db2.gz FURTXZJDZNDZHL-UHFFFAOYSA-N -1 3 369.343 3.047 20 0 FGADHM C[C@@H](NC(=O)[C@@H](C)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1)c1cc2ccccc2o1 ZINC000262116470 497510925 /nfs/dbraw/zinc/51/09/25/497510925.db2.gz JENORGRKYKCHMN-BEZKYQLSSA-N -1 3 370.449 3.185 20 0 FGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]CCCOC(F)F)s2)cs1 ZINC000193967461 497535276 /nfs/dbraw/zinc/53/52/76/497535276.db2.gz HYFTYUCQDZGBFZ-UHFFFAOYSA-N -1 3 368.452 3.088 20 0 FGADHM O=c1nc(CN2CCNC[C@H]2c2ccccc2Cl)[n-]c2ccsc21 ZINC000262306146 497537566 /nfs/dbraw/zinc/53/75/66/497537566.db2.gz YGYUODAOABTSQU-AWEZNQCLSA-N -1 3 360.870 3.197 20 0 FGADHM Cc1c(NC(=O)[N-]OC[C@@H]2CCOC2)cccc1C(=O)Nc1ccccc1 ZINC000276333989 497547550 /nfs/dbraw/zinc/54/75/50/497547550.db2.gz GAAALGJNSINOJU-OAHLLOKOSA-N -1 3 369.421 3.337 20 0 FGADHM CC(C)(C(=O)Nc1ccc(Cc2nnn[n-]2)cc1)c1ccc(Cl)cc1F ZINC000190640600 497556082 /nfs/dbraw/zinc/55/60/82/497556082.db2.gz LHKPSNDQFOFXKC-UHFFFAOYSA-N -1 3 373.819 3.499 20 0 FGADHM CC(C)(C(=O)Nc1ccc(Cc2nn[n-]n2)cc1)c1ccc(Cl)cc1F ZINC000190640600 497556086 /nfs/dbraw/zinc/55/60/86/497556086.db2.gz LHKPSNDQFOFXKC-UHFFFAOYSA-N -1 3 373.819 3.499 20 0 FGADHM CCOC(=O)c1nnc(-c2cccc(CNCc3cccc(F)c3F)c2)[n-]1 ZINC000572205670 505914093 /nfs/dbraw/zinc/91/40/93/505914093.db2.gz UYEWYOKAENWBKU-UHFFFAOYSA-N -1 3 372.375 3.216 20 0 FGADHM CCOC(=O)c1nc(-c2cccc(CNCc3cccc(F)c3F)c2)n[n-]1 ZINC000572205670 505914098 /nfs/dbraw/zinc/91/40/98/505914098.db2.gz UYEWYOKAENWBKU-UHFFFAOYSA-N -1 3 372.375 3.216 20 0 FGADHM CCOC(=O)c1n[n-]c(-c2cccc(CNCc3cccc(F)c3F)c2)n1 ZINC000572205670 505914102 /nfs/dbraw/zinc/91/41/02/505914102.db2.gz UYEWYOKAENWBKU-UHFFFAOYSA-N -1 3 372.375 3.216 20 0 FGADHM CCCCOc1ccc(C(=O)N2CCC(N3CCCCC3=O)CC2)c([O-])c1 ZINC000190674906 497567259 /nfs/dbraw/zinc/56/72/59/497567259.db2.gz ZLHPNNHRALIZEI-UHFFFAOYSA-N -1 3 374.481 3.188 20 0 FGADHM COc1cc(C(=O)N[C@H]2CCCOc3c(F)cccc32)cc(OC)c1[O-] ZINC000272245120 497575829 /nfs/dbraw/zinc/57/58/29/497575829.db2.gz UEZRQAUOSLNZRJ-AWEZNQCLSA-N -1 3 361.369 3.192 20 0 FGADHM CO[C@H](C)c1nc(C[N-]S(=O)(=O)c2cc(F)ccc2Cl)cs1 ZINC000267615559 497588928 /nfs/dbraw/zinc/58/89/28/497588928.db2.gz JDBDVZUJVGDHAH-MRVPVSSYSA-N -1 3 364.851 3.122 20 0 FGADHM CCC[C@@]1(CO)CCN(Cc2cc(Br)ccc2C(=O)[O-])C1 ZINC000569357124 505916331 /nfs/dbraw/zinc/91/63/31/505916331.db2.gz XANZMJZPPAGTAZ-MRXNPFEDSA-N -1 3 356.260 3.132 20 0 FGADHM C[C@@H](NC(=O)[C@@H](C)N1CCC(C(=O)[O-])CC1)c1cccc2ccccc21 ZINC000262670748 497596205 /nfs/dbraw/zinc/59/62/05/497596205.db2.gz RLOXYAQNKVFZSI-HUUCEWRRSA-N -1 3 354.450 3.202 20 0 FGADHM CC[C@@H]([N-]C(=O)C(F)(F)c1ncccc1C)[C@@H](O)c1c(F)cccc1F ZINC000279941823 497596807 /nfs/dbraw/zinc/59/68/07/497596807.db2.gz ROAFJMSXPZNHSR-UKRRQHHQSA-N -1 3 370.346 3.388 20 0 FGADHM CC[C@H]([N-]C(=O)C(F)(F)c1ncccc1C)[C@@H](O)c1c(F)cccc1F ZINC000279941814 497596837 /nfs/dbraw/zinc/59/68/37/497596837.db2.gz ROAFJMSXPZNHSR-DZGCQCFKSA-N -1 3 370.346 3.388 20 0 FGADHM Cc1cc(C(=O)N2CCCN(C(=O)Oc3ccccc3)CC2)ccc1[O-] ZINC000272357389 497606521 /nfs/dbraw/zinc/60/65/21/497606521.db2.gz BLQXTOMUTIZSAF-UHFFFAOYSA-N -1 3 354.406 3.048 20 0 FGADHM CCN1CC[C@@H](NC(=O)c2cncc([O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246088031 497616788 /nfs/dbraw/zinc/61/67/88/497616788.db2.gz NLWHMMIVWSJLEE-IAGOWNOFSA-N -1 3 363.820 3.145 20 0 FGADHM CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)c1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000246109324 497625035 /nfs/dbraw/zinc/62/50/35/497625035.db2.gz BUXGHQWGPWPLEB-VWKPWSFCSA-N -1 3 371.481 3.076 20 0 FGADHM CC(C)[C@]1(C(=O)[O-])CCN(CCOc2ccccc2Br)C1 ZINC000569371859 505919401 /nfs/dbraw/zinc/91/94/01/505919401.db2.gz GCEBQVOEBAUVDJ-INIZCTEOSA-N -1 3 356.260 3.261 20 0 FGADHM CO[C@H]1CCN(Cc2cc(Cl)ccc2OCC2CC2)[C@H](C(=O)[O-])C1 ZINC000581142431 505919762 /nfs/dbraw/zinc/91/97/62/505919762.db2.gz CGEPMZDZEFQXMG-HOTGVXAUSA-N -1 3 353.846 3.193 20 0 FGADHM COc1cc(C(=O)NCc2cccc(NC(=O)CC(C)C)c2)ccc1[O-] ZINC000268064771 497671677 /nfs/dbraw/zinc/67/16/77/497671677.db2.gz GPGYTMRNAGDNOX-UHFFFAOYSA-N -1 3 356.422 3.315 20 0 FGADHM CCC[C@]1(COC)CCCN1C(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000194454432 497672117 /nfs/dbraw/zinc/67/21/17/497672117.db2.gz MUEQKQBSDYEZQP-HXUWFJFHSA-N -1 3 360.429 3.397 20 0 FGADHM O=C(c1cccc([O-])c1)N1CCN(C[C@H]2CCC3(CCCCC3)O2)CC1 ZINC000190994146 497676517 /nfs/dbraw/zinc/67/65/17/497676517.db2.gz HNRFRYVXGURYGP-LJQANCHMSA-N -1 3 358.482 3.032 20 0 FGADHM Cc1csc(C2([N-]S(=O)(=O)C3=Cc4ccccc4OC3)CCC2)n1 ZINC000276891425 497680547 /nfs/dbraw/zinc/68/05/47/497680547.db2.gz LJXYCLNLHNAANH-UHFFFAOYSA-N -1 3 362.476 3.184 20 0 FGADHM CC[C@H](NC(=O)c1cccc([O-])c1)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000272721908 497712462 /nfs/dbraw/zinc/71/24/62/497712462.db2.gz HJXIEUQRBQOFCN-OALUTQOASA-N -1 3 350.422 3.090 20 0 FGADHM C[C@H](C(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C)N1CCC(Cc2ccccc2)CC1 ZINC000263148661 497717360 /nfs/dbraw/zinc/71/73/60/497717360.db2.gz HICNCLYERYJWAS-MBOZVWFJSA-N -1 3 372.509 3.041 20 0 FGADHM CCOc1c(OC)cc(CNCc2ccccc2CC(=O)[O-])cc1OC ZINC000277072994 497733651 /nfs/dbraw/zinc/73/36/51/497733651.db2.gz VRZLNIQFLFAODM-UHFFFAOYSA-N -1 3 359.422 3.019 20 0 FGADHM O=C(Nc1ccccc1[O-])C1CCN(C(=O)Nc2cccnc2Cl)CC1 ZINC000194737350 497754001 /nfs/dbraw/zinc/75/40/01/497754001.db2.gz YOMMZNZBOCDVAT-UHFFFAOYSA-N -1 3 374.828 3.323 20 0 FGADHM C[C@H](c1ccccc1)N1CCC(N=c2[n-]nc(C3CCOCC3)s2)CC1 ZINC000581179229 505927347 /nfs/dbraw/zinc/92/73/47/505927347.db2.gz PQBFTBNMLHLBBV-OAHLLOKOSA-N -1 3 372.538 3.492 20 0 FGADHM COCc1nc(S[C@H](C(=O)N2CCCc3ccccc32)C(C)C)n[n-]1 ZINC000268483021 497762471 /nfs/dbraw/zinc/76/24/71/497762471.db2.gz LPJNRLLVTSCTBA-INIZCTEOSA-N -1 3 360.483 3.047 20 0 FGADHM Cc1ccc(-c2cc(C(=O)Nc3ccccc3N3CCC(O)CC3)n[n-]2)o1 ZINC000194783350 497768860 /nfs/dbraw/zinc/76/88/60/497768860.db2.gz ITZOLKBKPUKBFE-UHFFFAOYSA-N -1 3 366.421 3.192 20 0 FGADHM Cc1ccc(-c2cc(C(=O)Nc3ccccc3N3CCC(O)CC3)[n-]n2)o1 ZINC000194783350 497768863 /nfs/dbraw/zinc/76/88/63/497768863.db2.gz ITZOLKBKPUKBFE-UHFFFAOYSA-N -1 3 366.421 3.192 20 0 FGADHM CCC[C@@H](NCc1ccc(C(=O)[O-])cc1)C(=O)N1CCc2sccc2C1 ZINC000263405442 497776980 /nfs/dbraw/zinc/77/69/80/497776980.db2.gz JMAZSISLEYYEOG-QGZVFWFLSA-N -1 3 372.490 3.290 20 0 FGADHM COc1ccccc1[C@H](CNc1cccc(C(=O)[O-])n1)N1CCCCC1 ZINC000263530960 497796998 /nfs/dbraw/zinc/79/69/98/497796998.db2.gz WMBHUROXJJWBNP-KRWDZBQOSA-N -1 3 355.438 3.428 20 0 FGADHM C[C@@]1(C(=O)[O-])CCN([C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)C1 ZINC000263563423 497800440 /nfs/dbraw/zinc/80/04/40/497800440.db2.gz DJGIRRBOBSNCDY-FXAWDEMLSA-N -1 3 356.397 3.302 20 0 FGADHM CSCCON=C([O-])Nc1ccc(C(=O)NC2CCCC2)cc1C ZINC000280623739 497830939 /nfs/dbraw/zinc/83/09/39/497830939.db2.gz TUVVLZBQXJWREO-UHFFFAOYSA-N -1 3 351.472 3.084 20 0 FGADHM CSCCO[N-]C(=O)Nc1ccc(C(=O)NC2CCCC2)cc1C ZINC000280623739 497830944 /nfs/dbraw/zinc/83/09/44/497830944.db2.gz TUVVLZBQXJWREO-UHFFFAOYSA-N -1 3 351.472 3.084 20 0 FGADHM O=C([O-])c1nc(-c2ccccc2)oc1CN1CCCC2(CCOCC2)C1 ZINC000572296120 505935232 /nfs/dbraw/zinc/93/52/32/505935232.db2.gz OPQAGVLQHUYVSG-UHFFFAOYSA-N -1 3 356.422 3.432 20 0 FGADHM CCc1cc(C(=O)N2CCC(C(=O)Nc3ccc(O)cc3)CC2)ccc1[O-] ZINC000292061191 497861656 /nfs/dbraw/zinc/86/16/56/497861656.db2.gz GEXFVULXBDNLFO-UHFFFAOYSA-N -1 3 368.433 3.151 20 0 FGADHM CCC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]CCCC(C)(C)CO)c1 ZINC000280698227 497862285 /nfs/dbraw/zinc/86/22/85/497862285.db2.gz JYADJDVEDSFJML-UHFFFAOYSA-N -1 3 361.891 3.010 20 0 FGADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@H](C)N(C)CC(F)(F)F ZINC000295946337 497864105 /nfs/dbraw/zinc/86/41/05/497864105.db2.gz GHJCUQUBCBENAF-QMMMGPOBSA-N -1 3 369.181 3.284 20 0 FGADHM Cc1ccccc1CN1CCC(NC(=O)c2c(F)ccc([O-])c2F)CC1 ZINC000280718365 497870923 /nfs/dbraw/zinc/87/09/23/497870923.db2.gz HAIMOBQXDJQUEA-UHFFFAOYSA-N -1 3 360.404 3.373 20 0 FGADHM C[C@H]1C[C@H](NC(=O)NC2CCN(C(=O)c3cccc([O-])c3)CC2)C[C@@H](C)C1 ZINC000364276729 497876141 /nfs/dbraw/zinc/87/61/41/497876141.db2.gz CQHZWJMMIWTEGF-HWWDLCQESA-N -1 3 373.497 3.121 20 0 FGADHM COC(=O)c1ccccc1-c1ccc(CN2CC[C@H](C)[C@@H](C(=O)[O-])C2)o1 ZINC000578442683 505940570 /nfs/dbraw/zinc/94/05/70/505940570.db2.gz CVAZVIOSTSVGDP-GUYCJALGSA-N -1 3 357.406 3.276 20 0 FGADHM COC(=O)c1ccccc1-c1ccc(CN2CC[C@@H](C)[C@@H](C(=O)[O-])C2)o1 ZINC000578442682 505940678 /nfs/dbraw/zinc/94/06/78/505940678.db2.gz CVAZVIOSTSVGDP-DYVFJYSZSA-N -1 3 357.406 3.276 20 0 FGADHM O=C(Cc1cncc([O-])c1)N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000578452724 505942738 /nfs/dbraw/zinc/94/27/38/505942738.db2.gz SLPLHAPCBBTMCO-CTYIDZIISA-N -1 3 350.340 3.411 20 0 FGADHM CCCc1nc(C)c(C[N-]S(=O)(=O)c2ccccc2OC(F)F)o1 ZINC000292140715 497896372 /nfs/dbraw/zinc/89/63/72/497896372.db2.gz YZRNKIWMDPPPJK-UHFFFAOYSA-N -1 3 360.382 3.015 20 0 FGADHM O=C(NC[C@H]1CCCN(Cc2cccs2)C1)c1c(F)ccc([O-])c1F ZINC000280804348 497904177 /nfs/dbraw/zinc/90/41/77/497904177.db2.gz PUONJOGZRTUEIU-GFCCVEGCSA-N -1 3 366.433 3.374 20 0 FGADHM COC(=O)c1cnc([N-]S(=O)(=O)Cc2c(C)cccc2C)c(Cl)c1 ZINC000569489289 505947211 /nfs/dbraw/zinc/94/72/11/505947211.db2.gz JAIPRWOFZODBMP-UHFFFAOYSA-N -1 3 368.842 3.080 20 0 FGADHM CC(C)(C)C[N-]S(=O)(=O)c1cc(Br)cc2cccnc21 ZINC000581268578 505947298 /nfs/dbraw/zinc/94/72/98/505947298.db2.gz ZUMREQXLACPLQY-UHFFFAOYSA-N -1 3 357.273 3.322 20 0 FGADHM COC(=O)CCCO[N-]C(=O)Nc1cccnc1-c1ccc(Cl)s1 ZINC000288890525 497932985 /nfs/dbraw/zinc/93/29/85/497932985.db2.gz RHDCMWRQYNVEEE-UHFFFAOYSA-N -1 3 369.830 3.470 20 0 FGADHM CCCCC[C@@H]1NC(=O)N(c2ccc(-c3cc(=O)[n-]c(C)n3)cc2)C1=O ZINC000349275715 497972534 /nfs/dbraw/zinc/97/25/34/497972534.db2.gz KDYCKBZAFMMIKZ-HNNXBMFYSA-N -1 3 354.410 3.163 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H](C)C(=O)Nc3ccccc3)nc2)n1 ZINC000301232715 498012535 /nfs/dbraw/zinc/01/25/35/498012535.db2.gz KCAWGOKQTDKXRE-CYBMUJFWSA-N -1 3 363.421 3.246 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H](C)C(=O)N3CCCC[C@@H]3C)nc2)n1 ZINC000301272302 498032718 /nfs/dbraw/zinc/03/27/18/498032718.db2.gz JZNNQLSURRUJAD-KBPBESRZSA-N -1 3 369.469 3.008 20 0 FGADHM Cc1cccn2cc(Cc3noc(-c4n[n-]nc4-c4ccccc4)n3)nc12 ZINC000350039588 498035701 /nfs/dbraw/zinc/03/57/01/498035701.db2.gz ZLZDXKHKSYHAHY-UHFFFAOYSA-N -1 3 357.377 3.069 20 0 FGADHM C[C@H](Cc1ccccc1Cl)C(=O)N=c1[n-]n(C)cc1Br ZINC000581371055 505973121 /nfs/dbraw/zinc/97/31/21/505973121.db2.gz LTGYFTGFOYPWNS-SECBINFHSA-N -1 3 356.651 3.075 20 0 FGADHM Cn1ccc([C@@H](NC(=O)Cc2ccc([O-])cc2Cl)c2ccc(F)cc2)n1 ZINC000364706160 498103996 /nfs/dbraw/zinc/10/39/96/498103996.db2.gz NTFSBJQSZDMQNI-IBGZPJMESA-N -1 3 373.815 3.367 20 0 FGADHM CCOc1cc(-c2noc(-c3cncc(-c4cnn(C)c4)c3)n2)ccc1[O-] ZINC000350796941 498136899 /nfs/dbraw/zinc/13/68/99/498136899.db2.gz WJQBGYYQQOHOFG-UHFFFAOYSA-N -1 3 363.377 3.303 20 0 FGADHM CCOc1cc(-c2noc(-c3cnc(-c4cnn(C)c4)s3)n2)ccc1[O-] ZINC000350792817 498137057 /nfs/dbraw/zinc/13/70/57/498137057.db2.gz LTNABNCMFZEPPH-UHFFFAOYSA-N -1 3 369.406 3.365 20 0 FGADHM CCOc1cc(-c2noc(CCC3CCN(C(C)=O)CC3)n2)ccc1[O-] ZINC000350795710 498137500 /nfs/dbraw/zinc/13/75/00/498137500.db2.gz SLLZEHWOBZFNGH-UHFFFAOYSA-N -1 3 359.426 3.032 20 0 FGADHM COc1cc(C(=O)NC[C@@H]2CCCN(c3ccccc3)C2)cc(OC)c1[O-] ZINC000364781273 498139324 /nfs/dbraw/zinc/13/93/24/498139324.db2.gz SMZLUGDCEUGCJQ-HNNXBMFYSA-N -1 3 370.449 3.056 20 0 FGADHM CC(C)c1ccc(-c2noc(-c3ccc([N-]S(C)(=O)=O)cc3)n2)cn1 ZINC000350835043 498141662 /nfs/dbraw/zinc/14/16/62/498141662.db2.gz CJDRNSFCDNXKGY-UHFFFAOYSA-N -1 3 358.423 3.294 20 0 FGADHM O=C([N-]C[C@H]1CCCN(Cc2ccc(OC(F)F)cc2)C1)C(F)(F)F ZINC000289426396 498142555 /nfs/dbraw/zinc/14/25/55/498142555.db2.gz INYNTLJDHLBMBH-GFCCVEGCSA-N -1 3 366.330 3.179 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(N(C)[C@@H]3[C@@H]4CCO[C@@H]4C3(C)C)nc2)n1 ZINC000301514549 498143162 /nfs/dbraw/zinc/14/31/62/498143162.db2.gz GBIFYSWCIPUJGR-QGTPRVQTSA-N -1 3 354.454 3.056 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N(Cc2cccs2)C[C@@H]2CCCO2)c1 ZINC000292827132 498160848 /nfs/dbraw/zinc/16/08/48/498160848.db2.gz WHYCNWAUYPVVQA-HNNXBMFYSA-N -1 3 374.462 3.234 20 0 FGADHM COc1ccc([O-])c(-c2nc(C3(NC(=O)c4ccccc4)CCC3)no2)c1 ZINC000289478708 498163074 /nfs/dbraw/zinc/16/30/74/498163074.db2.gz WIJPMLFLRJYJFQ-UHFFFAOYSA-N -1 3 365.389 3.260 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]C[C@@H]2CCO[C@H](C)C2)c(Cl)c1Cl ZINC000330632591 498164082 /nfs/dbraw/zinc/16/40/82/498164082.db2.gz IHYBXMXSHPDCKV-NXEZZACHSA-N -1 3 368.282 3.095 20 0 FGADHM CCc1ccc(S(=O)(=O)[N-][C@@H](c2nccs2)C(F)(F)F)cc1 ZINC000292841181 498166023 /nfs/dbraw/zinc/16/60/23/498166023.db2.gz PPNURAXUSIYZSQ-NSHDSACASA-N -1 3 350.387 3.287 20 0 FGADHM O=S1(=O)C[C@@H](NCc2cc([O-])cc(C(F)(F)F)c2)c2ccccc21 ZINC000289490781 498167632 /nfs/dbraw/zinc/16/76/32/498167632.db2.gz KXNQUAKCWNGJMQ-CQSZACIVSA-N -1 3 357.353 3.029 20 0 FGADHM CS(=O)(=O)[N-]c1cc(-c2nc([C@@H]3CCC(F)(F)C3)no2)ccc1F ZINC000281492589 498170322 /nfs/dbraw/zinc/17/03/22/498170322.db2.gz TWKWMVPLAUQLEP-SECBINFHSA-N -1 3 361.345 3.150 20 0 FGADHM Cc1cc(F)ccc1S(=O)(=O)[N-][C@@H](c1nccs1)C(F)(F)F ZINC000292859684 498174416 /nfs/dbraw/zinc/17/44/16/498174416.db2.gz RIHADVWLZNQKHE-JTQLQIEISA-N -1 3 354.350 3.173 20 0 FGADHM C[C@H]1CN(C(=O)C(C)(C)C)C[C@H](C)N1C(=O)Cc1ccc([O-])cc1Cl ZINC000330686134 498174101 /nfs/dbraw/zinc/17/41/01/498174101.db2.gz SHZWNEKSBKSYND-STQMWFEESA-N -1 3 366.889 3.082 20 0 FGADHM O=C([O-])CCN(CCN1CCc2ccccc21)Cc1ccc(F)c(F)c1 ZINC000572533100 505991109 /nfs/dbraw/zinc/99/11/09/505991109.db2.gz RITXNYPZQFQIFK-UHFFFAOYSA-N -1 3 360.404 3.304 20 0 FGADHM COC(=O)c1nc[n-]c1NC(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000581464002 505994280 /nfs/dbraw/zinc/99/42/80/505994280.db2.gz LJPYIMHCYWRWCA-UHFFFAOYSA-N -1 3 362.798 3.226 20 0 FGADHM COC(=O)c1[n-]cnc1NC(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000581464002 505994281 /nfs/dbraw/zinc/99/42/81/505994281.db2.gz LJPYIMHCYWRWCA-UHFFFAOYSA-N -1 3 362.798 3.226 20 0 FGADHM Cc1ccc([O-])c(CN2C[C@@H](CC(=O)N(C)C)c3cc(Cl)ccc32)n1 ZINC000289561820 498194656 /nfs/dbraw/zinc/19/46/56/498194656.db2.gz YQONDLHDHNOLDR-CYBMUJFWSA-N -1 3 359.857 3.331 20 0 FGADHM Cc1ccn(C2CCN(Cc3cc(=O)oc4c(C)c([O-])ccc34)CC2)n1 ZINC000364893906 498195622 /nfs/dbraw/zinc/19/56/22/498195622.db2.gz IYQYNJHLKWESPX-UHFFFAOYSA-N -1 3 353.422 3.149 20 0 FGADHM O=S(=O)([N-]Cc1ncoc1-c1ccccc1)c1ccc(F)cc1F ZINC000360140491 498249175 /nfs/dbraw/zinc/24/91/75/498249175.db2.gz KNFLCCWJWVCJHQ-UHFFFAOYSA-N -1 3 350.346 3.098 20 0 FGADHM CCOc1cc(CN2CCO[C@@H]3CC[C@H](OC)C[C@@H]32)cc(Cl)c1[O-] ZINC000575783451 506003949 /nfs/dbraw/zinc/00/39/49/506003949.db2.gz FQQKGQKXAYESPT-CWRNSKLLSA-N -1 3 355.862 3.213 20 0 FGADHM C[C@H](O)C[C@H]1CCCCN1Cc1cc(=O)oc2cc([O-])c(Cl)cc12 ZINC000285962231 498253383 /nfs/dbraw/zinc/25/33/83/498253383.db2.gz DIQLVPIIXPELRN-WCQYABFASA-N -1 3 351.830 3.277 20 0 FGADHM C[C@@H](CC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)c1ccccc1 ZINC000281784109 498267806 /nfs/dbraw/zinc/26/78/06/498267806.db2.gz RWPOYOUSBMQVLO-ZDUSSCGKSA-N -1 3 356.388 3.097 20 0 FGADHM CC(C)ON=C([O-])Nc1cccc(S(=O)(=O)N(C)C2CCCCC2)c1 ZINC000296992530 498279644 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O=C(NCc1noc(-c2cccs2)n1)c1ccc2c(c1[O-])CCCC2 ZINC000572683312 506028370 /nfs/dbraw/zinc/02/83/70/506028370.db2.gz PQYCTGYUKWWECH-UHFFFAOYSA-N -1 3 355.419 3.313 20 0 FGADHM O=C([N-][C@H]1CCO[C@@H]1c1cccnc1)C(F)(F)c1cccc(Cl)c1 ZINC000286472584 498408387 /nfs/dbraw/zinc/40/83/87/498408387.db2.gz RZZWYVSAFZNSNR-LSDHHAIUSA-N -1 3 352.768 3.473 20 0 FGADHM CC(C)c1ccc(C(=O)NC[C@@H]2CCCN(C)[C@H]2c2ccnn2C)c([O-])c1 ZINC000331724518 498433713 /nfs/dbraw/zinc/43/37/13/498433713.db2.gz LPOKVHMFHYHRCT-OXJNMPFZSA-N -1 3 370.497 3.062 20 0 FGADHM COc1cc(C(=O)N2CCC[C@H]2Cc2ccc(F)cc2)cc(OC)c1[O-] ZINC000362080987 498460823 /nfs/dbraw/zinc/46/08/23/498460823.db2.gz UXCOSEHEGBTYHY-INIZCTEOSA-N -1 3 359.397 3.396 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)N1Cc2ccccc2[C@H](n2cccn2)C1 ZINC000365451525 498473880 /nfs/dbraw/zinc/47/38/80/498473880.db2.gz ANEOOCPJFNSXTI-GOSISDBHSA-N -1 3 366.396 3.043 20 0 FGADHM CC1(C)CN(C(=O)c2cc(=O)c3ccccc3[n-]2)C[C@@H](C(F)(F)F)O1 ZINC000293751445 498478059 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/nfs/dbraw/zinc/17/89/88/499178988.db2.gz FFUNHRREOUCNFS-SFHVURJKSA-N -1 3 357.435 3.004 20 0 FGADHM Cc1c([O-])ccc2c(CN[C@@H]3c4ccccc4CC[C@@H]3CO)cc(=O)oc12 ZINC000372828642 499181553 /nfs/dbraw/zinc/18/15/53/499181553.db2.gz CBDRBINUOQLQBX-VFNWGFHPSA-N -1 3 365.429 3.193 20 0 FGADHM CSc1ccc(C(=O)N2C[C@H](O)C[C@@H]2c2ccc(F)c(F)c2)c([O-])c1 ZINC000370151018 499188404 /nfs/dbraw/zinc/18/84/04/499188404.db2.gz UPACNYQKKBJXBM-BDJLRTHQSA-N -1 3 365.401 3.340 20 0 FGADHM COCCCn1c(=O)[n-]nc1SCc1cscc1Br ZINC000576358169 506138791 /nfs/dbraw/zinc/13/87/91/506138791.db2.gz MVNFPMWENIEYSB-UHFFFAOYSA-N -1 3 364.290 3.137 20 0 FGADHM C[C@@H](Oc1cccc2ccccc21)C(=O)[N-]c1nncn1-c1cccnc1 ZINC000367940132 499247884 /nfs/dbraw/zinc/24/78/84/499247884.db2.gz YPIOVVNTYVAVSB-CQSZACIVSA-N -1 3 359.389 3.222 20 0 FGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CC=C(c2ccccc2F)C1 ZINC000370721423 499248131 /nfs/dbraw/zinc/24/81/31/499248131.db2.gz QDTDZPHAEJKUNA-UHFFFAOYSA-N -1 3 355.413 3.467 20 0 FGADHM CC(C)CC1(C(=O)NC2CCN(C(=O)c3cccc([O-])c3)CC2)CCC1 ZINC000370723229 499248487 /nfs/dbraw/zinc/24/84/87/499248487.db2.gz SYZFLTOVDXMXNW-UHFFFAOYSA-N -1 3 358.482 3.329 20 0 FGADHM Cc1ccc(NC(=O)NC2CCN(C(=O)c3cccc([O-])c3)CC2)c(F)c1 ZINC000370739991 499250064 /nfs/dbraw/zinc/25/00/64/499250064.db2.gz MKZPGMQANGBWLI-UHFFFAOYSA-N -1 3 371.412 3.266 20 0 FGADHM Cn1ccnc1[C@@H](NC(=O)c1cc([O-])ccc1Cl)c1ccccc1F ZINC000368058511 499260545 /nfs/dbraw/zinc/26/05/45/499260545.db2.gz FNQXOYFHQHDSJD-INIZCTEOSA-N -1 3 359.788 3.438 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCOC[C@@H](C4CCC4)C3)nc2)n1 ZINC000368188572 499272725 /nfs/dbraw/zinc/27/27/25/499272725.db2.gz YWLSNYIXJARGJF-INIZCTEOSA-N -1 3 354.454 3.060 20 0 FGADHM COc1cc(C(=O)N2CCC3(CC2)OCc2ccccc23)cc(OC)c1[O-] ZINC000371301662 499307411 /nfs/dbraw/zinc/30/74/11/499307411.db2.gz GPNCQXAGNSJHRX-UHFFFAOYSA-N -1 3 369.417 3.071 20 0 FGADHM Cn1cc([C@@H](NC(=O)c2cccc([O-])c2)c2ccc(F)c(Cl)c2)cn1 ZINC000368801788 499334296 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20 0 FGADHM COc1ccc(C2(CNC(=O)N=c3cc4ccccn4[n-]3)CCC2)cc1 ZINC000576380699 506144467 /nfs/dbraw/zinc/14/44/67/506144467.db2.gz SDKCLHJFDPVZKE-UHFFFAOYSA-N -1 3 350.422 3.008 20 0 FGADHM O=C([O-])c1cccc(OCCN2CCC[C@H]2c2ccc3c(c2)OCO3)c1 ZINC000570338498 506144804 /nfs/dbraw/zinc/14/48/04/506144804.db2.gz VZLJHGJDVROWJS-KRWDZBQOSA-N -1 3 355.390 3.329 20 0 FGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1cnn(-c2ccccc2F)c1C ZINC000372079705 499396710 /nfs/dbraw/zinc/39/67/10/499396710.db2.gz DVUQQEUUKUKNCX-UHFFFAOYSA-N -1 3 373.413 3.098 20 0 FGADHM O=C(N[C@@H]1CCO[C@@]2(CCOC2)C1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000369375568 499397324 /nfs/dbraw/zinc/39/73/24/499397324.db2.gz OVLJPRMCTJFUIZ-GCJKJVERSA-N -1 3 367.445 3.051 20 0 FGADHM Cc1cn2c(n1)[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)CCC2 ZINC000372132871 499401867 /nfs/dbraw/zinc/40/18/67/499401867.db2.gz ZEKMDCYDLJWBKC-NSHDSACASA-N -1 3 374.293 3.354 20 0 FGADHM Cc1cc(Cl)cc(NC(=O)CCc2nnc(-c3ccccn3)o2)c1[O-] ZINC000369436254 499403443 /nfs/dbraw/zinc/40/34/43/499403443.db2.gz LRDSHZSYDNUEPN-UHFFFAOYSA-N -1 3 358.785 3.370 20 0 FGADHM CC(C)c1nccn1[C@H]1CCCN(C(=O)NCc2ccc([O-])c(F)c2)C1 ZINC000369522608 499412500 /nfs/dbraw/zinc/41/25/00/499412500.db2.gz PVVSEFIAMDBRQF-HNNXBMFYSA-N -1 3 360.433 3.398 20 0 FGADHM COc1cc(C)cc2c1OCC[C@H]2NC(=O)NCc1ccc([O-])c(F)c1 ZINC000369524765 499412617 /nfs/dbraw/zinc/41/26/17/499412617.db2.gz HCHXDZSIQRFZGT-OAHLLOKOSA-N -1 3 360.385 3.171 20 0 FGADHM CSc1ccc(C(=O)N2CCC(C(=O)Nc3ccccn3)CC2)c([O-])c1 ZINC000373048143 499448972 /nfs/dbraw/zinc/44/89/72/499448972.db2.gz GYUHLMJCLRAJNI-UHFFFAOYSA-N -1 3 371.462 3.000 20 0 FGADHM CCOc1cc(-c2noc(C[C@H]3C(=O)Nc4ccccc43)n2)ccc1[O-] ZINC000373222445 499458316 /nfs/dbraw/zinc/45/83/16/499458316.db2.gz SGLNROKEUZLDEN-CYBMUJFWSA-N -1 3 351.362 3.119 20 0 FGADHM CCC(CC)n1ncc(C(=O)N=c2[nH][n-]c(C)c2-c2ccncc2)c1C ZINC000373425252 499469067 /nfs/dbraw/zinc/46/90/67/499469067.db2.gz HINOEWALPZMTBQ-UHFFFAOYSA-N -1 3 352.442 3.320 20 0 FGADHM O=C(c1cc(OCc2ccccc2)ccc1[O-])N1CC([C@H]2CCOC2)C1 ZINC000373426912 499469204 /nfs/dbraw/zinc/46/92/04/499469204.db2.gz OFCMPEVTXNHQAF-INIZCTEOSA-N -1 3 353.418 3.080 20 0 FGADHM C[C@@H]1CC[C@@H](CNC(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)C1 ZINC000373537990 499475576 /nfs/dbraw/zinc/47/55/76/499475576.db2.gz SXKSVXIXSBUCNY-HUUCEWRRSA-N -1 3 359.470 3.189 20 0 FGADHM Cc1cc(-c2noc([C@H](C)NC(=O)/C=C/c3cncc([O-])c3)n2)ccc1F ZINC000378556270 499531525 /nfs/dbraw/zinc/53/15/25/499531525.db2.gz VUNAUEXCSTXKST-UXONFWTHSA-N -1 3 368.368 3.175 20 0 FGADHM O=C(N=c1cc2ccccn2[n-]1)c1cc(Cl)ccc1Br ZINC000573231103 506148865 /nfs/dbraw/zinc/14/88/65/506148865.db2.gz RREPFQYERUBLJU-UHFFFAOYSA-N -1 3 350.603 3.424 20 0 FGADHM COc1cc2c(cc1OC)[C@@H](C)N(C(=O)c1csc(=O)[n-]1)C[C@@H](C)C2 ZINC000375625684 499538919 /nfs/dbraw/zinc/53/89/19/499538919.db2.gz DRVCCMANFOLHNB-WDEREUQCSA-N -1 3 362.451 3.262 20 0 FGADHM O=C(N[C@H]1CCN(c2ncccc2F)C1)c1cc([O-])c2ccccc2c1 ZINC000375675295 499543829 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COc1ccc2c(c1)CCC[C@@]2(NCc1ccc(C)c(OC)c1)C(=O)[O-] ZINC000417595761 500120169 /nfs/dbraw/zinc/12/01/69/500120169.db2.gz YIKKSVIHEWKLSZ-NRFANRHFSA-N -1 3 355.434 3.418 20 0 FGADHM Cn1[n-]c(=NC(=O)N[C@@H](CC2CCC2)c2ccccc2)cc1OC(F)F ZINC000429665509 500120710 /nfs/dbraw/zinc/12/07/10/500120710.db2.gz YWEOOJCUWMUNKY-AWEZNQCLSA-N -1 3 364.396 3.496 20 0 FGADHM COc1cc(CN[C@H]2C=C[C@@H](C(=O)[O-])C2)ccc1OCc1ccccc1 ZINC000417616289 500126179 /nfs/dbraw/zinc/12/61/79/500126179.db2.gz HDALBWNXVUHPMZ-MSOLQXFVSA-N -1 3 353.418 3.393 20 0 FGADHM CC(C)n1cc(CN[C@H](Cc2ccccc2Br)C(=O)[O-])cn1 ZINC000417619198 500126966 /nfs/dbraw/zinc/12/69/66/500126966.db2.gz DTNVYDURBGPDLQ-OAHLLOKOSA-N -1 3 366.259 3.012 20 0 FGADHM CCOc1cc(CNC[C@H](CC(=O)[O-])C(F)(F)F)cc(Cl)c1OC ZINC000417620521 500127415 /nfs/dbraw/zinc/12/74/15/500127415.db2.gz GKFVOOJYHAGFLY-JTQLQIEISA-N -1 3 369.767 3.490 20 0 FGADHM CCc1ccc(CN[C@@H](Cc2ccccc2Br)C(=O)[O-])o1 ZINC000417625220 500128508 /nfs/dbraw/zinc/12/85/08/500128508.db2.gz LRPWZCWZPMAQPO-HNNXBMFYSA-N -1 3 352.228 3.390 20 0 FGADHM COC[C@H](NCc1cn(C(C)(C)C)nc1-c1ccccc1Cl)C(=O)[O-] ZINC000417624911 500128685 /nfs/dbraw/zinc/12/86/85/500128685.db2.gz LKRAFQURTRSMIU-HNNXBMFYSA-N -1 3 365.861 3.148 20 0 FGADHM O=C([O-])C[C@@H](CNCc1ccc(F)cc1Br)C(F)(F)F ZINC000417626810 500129472 /nfs/dbraw/zinc/12/94/72/500129472.db2.gz NREVSKIVLRIYRT-QMMMGPOBSA-N -1 3 358.129 3.331 20 0 FGADHM CO[C@@H](CNCc1cn(-c2ccc(C)cc2)nc1C(C)(C)C)CC(=O)[O-] ZINC000417633561 500131315 /nfs/dbraw/zinc/13/13/15/500131315.db2.gz HCTJQFSAAFBYLQ-QGZVFWFLSA-N -1 3 359.470 3.058 20 0 FGADHM CCc1nc(CNC[C@@H](Cc2cc(F)c(F)c(F)c2)C(=O)[O-])cs1 ZINC000417639852 500134351 /nfs/dbraw/zinc/13/43/51/500134351.db2.gz USVWRMZWYREGAR-SNVBAGLBSA-N -1 3 358.385 3.156 20 0 FGADHM CO[C@@H](CNCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)CC(=O)[O-] ZINC000417640052 500134478 /nfs/dbraw/zinc/13/44/78/500134478.db2.gz VRUZTBKPJOWBEE-LLVKDONJSA-N -1 3 359.266 3.304 20 0 FGADHM CCn1cc(CN[C@H](c2ccc(Br)cc2)[C@H](C)C(=O)[O-])cn1 ZINC000417641147 500134552 /nfs/dbraw/zinc/13/45/52/500134552.db2.gz OPLIXILWYUJKCT-NHYWBVRUSA-N -1 3 366.259 3.217 20 0 FGADHM CCCCOCCOCC[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000429827767 500151656 /nfs/dbraw/zinc/15/16/56/500151656.db2.gz KNOROKQZNAKBOI-UHFFFAOYSA-N -1 3 370.298 3.105 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)c1c(Cl)cnn1C)c1ccc(Cl)s1 ZINC000429832538 500152640 /nfs/dbraw/zinc/15/26/40/500152640.db2.gz RVQUQZJIUJQMIR-QMMMGPOBSA-N -1 3 354.284 3.218 20 0 FGADHM CCOCCCC[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000429834048 500153432 /nfs/dbraw/zinc/15/34/32/500153432.db2.gz RTLFGNBOTVVEKC-UHFFFAOYSA-N -1 3 370.696 3.198 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Cl)[C@H](O)Cc1ccccc1 ZINC000429870819 500159512 /nfs/dbraw/zinc/15/95/12/500159512.db2.gz JHGBNKPAWMJWMO-XHDPSFHLSA-N -1 3 374.289 3.264 20 0 FGADHM C[C@H]1CCN(C(=O)c2ccc(S(C)(=O)=O)s2)c2c([O-])cccc21 ZINC000421859819 500164756 /nfs/dbraw/zinc/16/47/56/500164756.db2.gz FYPQJISZSMYPMF-JTQLQIEISA-N -1 3 351.449 3.011 20 0 FGADHM CC[C@@H](C)CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000421906658 500173592 /nfs/dbraw/zinc/17/35/92/500173592.db2.gz BPXCDQIYZUOGOA-CYBMUJFWSA-N -1 3 364.442 3.402 20 0 FGADHM Cc1ccccc1[C@H](NC(=O)C(=O)[N-]c1cnns1)[C@@H]1CCC[C@H](C)C1 ZINC000430058795 500186903 /nfs/dbraw/zinc/18/69/03/500186903.db2.gz ISMVIYPLHVADKD-DXCKQFNASA-N -1 3 372.494 3.469 20 0 FGADHM COC(=O)[C@@H](CNC(=O)c1sccc1Cl)Cc1ccc([O-])c(F)c1 ZINC000422041906 500204442 /nfs/dbraw/zinc/20/44/42/500204442.db2.gz OWRMIWOOCQGPBR-SNVBAGLBSA-N -1 3 371.817 3.008 20 0 FGADHM COC(=O)[C@@H](CNC(=O)C[C@H](C)C(C)(C)C)Cc1ccc([O-])c(F)c1 ZINC000422048840 500205740 /nfs/dbraw/zinc/20/57/40/500205740.db2.gz WGVDNVPYMFZXMB-GXTWGEPZSA-N -1 3 353.434 3.052 20 0 FGADHM C[C@H](c1cccc(Br)c1)S(=O)(=O)c1nc2c([n-]1)CCC2 ZINC000570502567 506182769 /nfs/dbraw/zinc/18/27/69/506182769.db2.gz PMKMVQMOJMETQM-SECBINFHSA-N -1 3 355.257 3.196 20 0 FGADHM CC(C)(CO)[C@H]([N-]S(=O)(=O)c1cc(F)ccc1F)c1cccs1 ZINC000576552655 506184492 /nfs/dbraw/zinc/18/44/92/506184492.db2.gz LCWHINDGBLZHGP-CQSZACIVSA-N -1 3 361.435 3.064 20 0 FGADHM CCN=c1[n-]c(C(=O)N[C@H](C)c2ccc(OCC(F)(F)F)cc2)cs1 ZINC000426213520 500248253 /nfs/dbraw/zinc/24/82/53/500248253.db2.gz MELQFOKQFMXNMD-SNVBAGLBSA-N -1 3 373.400 3.429 20 0 FGADHM O=C([N-]c1nnc(Cc2ccc(Cl)cc2)s1)c1cnn2cccnc12 ZINC000426324831 500260628 /nfs/dbraw/zinc/26/06/28/500260628.db2.gz SJYCKZDHBTXUCA-UHFFFAOYSA-N -1 3 370.825 3.077 20 0 FGADHM C[C@@H](NC(=O)c1c[n-]c2ccc(Oc3ccccc3)cc2c1=O)[C@H](C)CO ZINC000430610674 500262041 /nfs/dbraw/zinc/26/20/41/500262041.db2.gz LGHRIYJSYRBYBF-ZIAGYGMSSA-N -1 3 366.417 3.067 20 0 FGADHM Cc1n[nH]cc1CNC(=O)c1c[n-]c2ccc(Oc3ccccc3)cc2c1=O ZINC000430653407 500266234 /nfs/dbraw/zinc/26/62/34/500266234.db2.gz KWZKGAAMIURENI-UHFFFAOYSA-N -1 3 374.400 3.282 20 0 FGADHM COC(=O)c1ccc(-c2nc(Cc3nc4ccccc4n3C(F)F)no2)[n-]1 ZINC000426405284 500270255 /nfs/dbraw/zinc/27/02/55/500270255.db2.gz QIZZQXQVLTWYRW-UHFFFAOYSA-N -1 3 373.319 3.187 20 0 FGADHM COC(=O)c1ccc(-c2nc(-c3ccc(Br)cc3F)no2)[n-]1 ZINC000426452515 500273626 /nfs/dbraw/zinc/27/36/26/500273626.db2.gz WNLCTEJOLHVYFM-UHFFFAOYSA-N -1 3 366.146 3.420 20 0 FGADHM CCN=c1[n-]c(C(=O)N[C@H](C)[C@H](OC)c2ccc(Cl)cc2)cs1 ZINC000426469210 500276429 /nfs/dbraw/zinc/27/64/29/500276429.db2.gz HPKYQTNVBIFYPF-YGRLFVJLSA-N -1 3 353.875 3.156 20 0 FGADHM COC[C@@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)c1cccc(Cl)c1 ZINC000426498306 500280573 /nfs/dbraw/zinc/28/05/73/500280573.db2.gz NHJSMCYHOHDUKF-QGZVFWFLSA-N -1 3 356.809 3.299 20 0 FGADHM COc1cc2c(c(CNCC[C@H](Cc3ccccc3)C(=O)[O-])c1)O[C@H](C)C2 ZINC000426626421 500296718 /nfs/dbraw/zinc/29/67/18/500296718.db2.gz AAXDTUGFJOMFPM-NVXWUHKLSA-N -1 3 369.461 3.442 20 0 FGADHM Cc1ccc2cc(CNC[C@@H](Oc3ccc(F)cc3)C(=O)[O-])ccc2n1 ZINC000426637506 500298375 /nfs/dbraw/zinc/29/83/75/500298375.db2.gz FCDDUGJSVZDSEP-LJQANCHMSA-N -1 3 354.381 3.304 20 0 FGADHM O=C([O-])[C@@H](CNCc1ccccc1OCC1CC1)Oc1ccc(F)cc1 ZINC000426647993 500300942 /nfs/dbraw/zinc/30/09/42/500300942.db2.gz PMVILBFKVNCENH-LJQANCHMSA-N -1 3 359.397 3.236 20 0 FGADHM COc1ccc(OC(F)F)c(CNCCc2ccccc2C(=O)[O-])c1 ZINC000426670088 500304555 /nfs/dbraw/zinc/30/45/55/500304555.db2.gz QFFZQKCNVAEJKG-UHFFFAOYSA-N -1 3 351.349 3.327 20 0 FGADHM O=C([O-])[C@H](CCCNCc1cccc2c1OCCO2)Cc1ccccc1 ZINC000426675823 500305331 /nfs/dbraw/zinc/30/53/31/500305331.db2.gz WKCLMERKUUPZHN-QGZVFWFLSA-N -1 3 355.434 3.271 20 0 FGADHM Cc1ccc([C@H](NCc2cnn(Cc3ccc(F)cc3)c2)C(=O)[O-])cc1 ZINC000426678527 500305993 /nfs/dbraw/zinc/30/59/93/500305993.db2.gz QLKLZCFVZLOVKD-IBGZPJMESA-N -1 3 353.397 3.294 20 0 FGADHM Cn1c(CNC[C@H](Cc2ccccc2Cl)C(=O)[O-])nc2ccccc21 ZINC000426708466 500309278 /nfs/dbraw/zinc/30/92/78/500309278.db2.gz JZBBYRAIJUOUGI-AWEZNQCLSA-N -1 3 357.841 3.260 20 0 FGADHM COc1cc(-c2ccccc2)ccc1CN[C@H](Cn1cc(C)cn1)C(=O)[O-] ZINC000426720632 500310546 /nfs/dbraw/zinc/31/05/46/500310546.db2.gz OCJQOWGDCASEHR-LJQANCHMSA-N -1 3 365.433 3.110 20 0 FGADHM O=C([O-])[C@H](CSCCc1ccccc1)NCc1cc(F)ccc1F ZINC000426726080 500311550 /nfs/dbraw/zinc/31/15/50/500311550.db2.gz HADWECTYEIPFNN-KRWDZBQOSA-N -1 3 351.418 3.484 20 0 FGADHM COc1c(Cl)cc(Cl)cc1CN[C@@H](Cn1nc(C)cc1C)C(=O)[O-] ZINC000426732780 500312823 /nfs/dbraw/zinc/31/28/23/500312823.db2.gz JWXASAGMLWHKCN-AWEZNQCLSA-N -1 3 372.252 3.058 20 0 FGADHM COc1ccc(CN[C@H](Cc2c(F)cccc2Cl)C(=O)[O-])cc1F ZINC000426750363 500315379 /nfs/dbraw/zinc/31/53/79/500315379.db2.gz MVIVLONZLUVLCR-OAHLLOKOSA-N -1 3 355.768 3.412 20 0 FGADHM O=C([O-])[C@@H](NCc1ccc2c(c1)OCCO2)c1ccc(Cl)c(F)c1 ZINC000426761780 500316889 /nfs/dbraw/zinc/31/68/89/500316889.db2.gz DDYAEIXAGCMSLC-INIZCTEOSA-N -1 3 351.761 3.166 20 0 FGADHM CCOc1cc(CN[C@H](Cc2ccco2)C(=O)[O-])ccc1OC(F)F ZINC000426770252 500318177 /nfs/dbraw/zinc/31/81/77/500318177.db2.gz QJGRINDWUKQXOT-CYBMUJFWSA-N -1 3 355.337 3.065 20 0 FGADHM CCCSC[C@H](NCc1cc(-c2ccncc2)ccc1OC)C(=O)[O-] ZINC000426779134 500319392 /nfs/dbraw/zinc/31/93/92/500319392.db2.gz DSQXWKISZVAXTI-KRWDZBQOSA-N -1 3 360.479 3.443 20 0 FGADHM COc1cccc([C@@H](CC(=O)[O-])NCc2cnc(-c3ccccc3)[nH]2)c1 ZINC000426786869 500320747 /nfs/dbraw/zinc/32/07/47/500320747.db2.gz ZEEBBJOJZFNMRG-GOSISDBHSA-N -1 3 351.406 3.391 20 0 FGADHM COc1cc(C[C@@H](NCc2cccc(Cl)c2F)C(=O)[O-])cc(OC)c1 ZINC000426798757 500321992 /nfs/dbraw/zinc/32/19/92/500321992.db2.gz GGKWCQXCXNDRBY-MRXNPFEDSA-N -1 3 367.804 3.282 20 0 FGADHM CCc1ccc([C@H](NCc2cc(OC)c(OC)c(OC)c2)C(=O)[O-])cc1 ZINC000426806170 500323063 /nfs/dbraw/zinc/32/30/63/500323063.db2.gz IKDOVDOLANIPNH-SFHVURJKSA-N -1 3 359.422 3.190 20 0 FGADHM CCOc1cc(CN[C@H](Cc2ccco2)C(=O)[O-])cc(Cl)c1OC ZINC000426819747 500325054 /nfs/dbraw/zinc/32/50/54/500325054.db2.gz ZNQGZFGZDDWFJX-CQSZACIVSA-N -1 3 353.802 3.126 20 0 FGADHM Cc1ccccc1[C@@H](C(C)C)N(C)C(=O)CNC(=O)c1cccc([O-])c1 ZINC000426837594 500327312 /nfs/dbraw/zinc/32/73/12/500327312.db2.gz XRLYKILLCLEWTA-HXUWFJFHSA-N -1 3 354.450 3.286 20 0 FGADHM C[C@H](N=c1[n-]c(C(F)(F)F)c(Br)s1)C1=CCN(C)CC1 ZINC000418902526 500329201 /nfs/dbraw/zinc/32/92/01/500329201.db2.gz AJDQHULKTSVOFM-ZETCQYMHSA-N -1 3 370.238 3.409 20 0 FGADHM Cc1cc(CS(=O)(=O)[N-][C@@H]2CCCC[C@@H]2Oc2cccc(C)c2)no1 ZINC000570533917 506189813 /nfs/dbraw/zinc/18/98/13/506189813.db2.gz BUFFEHDTZPWOMS-MSOLQXFVSA-N -1 3 364.467 3.101 20 0 FGADHM Cc1ccc2[n-]cc(C(=O)N(Cc3ccco3)C[C@@H]3CCCO3)c(=O)c2c1 ZINC000426895585 500334028 /nfs/dbraw/zinc/33/40/28/500334028.db2.gz TYADFHUELPUHQL-INIZCTEOSA-N -1 3 366.417 3.251 20 0 FGADHM O=C(CNC(=O)c1cccc([O-])c1)NCC1CCC(c2ccccc2)CC1 ZINC000426992628 500342618 /nfs/dbraw/zinc/34/26/18/500342618.db2.gz SOUQKVWPDNTBGM-UHFFFAOYSA-N -1 3 366.461 3.212 20 0 FGADHM CCc1ccc(S(=O)(=O)[N-]c2ccc(F)c(NC(N)=O)c2)cc1CC ZINC000431172203 500345836 /nfs/dbraw/zinc/34/58/36/500345836.db2.gz VREMVYZVILFQIT-UHFFFAOYSA-N -1 3 365.430 3.242 20 0 FGADHM COc1ccc([C@H](N[C@@H](C)C(=O)[N-]c2cc(C)no2)c2ccco2)cc1 ZINC000419277857 500348106 /nfs/dbraw/zinc/34/81/06/500348106.db2.gz GVOPIYAUQZDJQE-UGSOOPFHSA-N -1 3 355.394 3.291 20 0 FGADHM CC(C)(C)CN(Cc1ccccc1)C(=O)CNC(=O)c1cccc([O-])c1 ZINC000427071888 500350582 /nfs/dbraw/zinc/35/05/82/500350582.db2.gz AAMXOQMSHBQQKV-UHFFFAOYSA-N -1 3 354.450 3.197 20 0 FGADHM Cc1ccc(S[C@H](C)C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)cc1 ZINC000427079893 500351483 /nfs/dbraw/zinc/35/14/83/500351483.db2.gz KXSAFRBQXPASJL-CYBMUJFWSA-N -1 3 353.451 3.218 20 0 FGADHM Cc1ccc(S[C@H](C)C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)cc1 ZINC000427079893 500351485 /nfs/dbraw/zinc/35/14/85/500351485.db2.gz KXSAFRBQXPASJL-CYBMUJFWSA-N -1 3 353.451 3.218 20 0 FGADHM CCS[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000427251809 500373440 /nfs/dbraw/zinc/37/34/40/500373440.db2.gz DPGLKVWCLZWLSK-CHWSQXEVSA-N -1 3 353.431 3.447 20 0 FGADHM CCS[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000427251811 500373807 /nfs/dbraw/zinc/37/38/07/500373807.db2.gz DPGLKVWCLZWLSK-QWHCGFSZSA-N -1 3 353.431 3.447 20 0 FGADHM O=C(Nc1nnc(-c2ccco2)s1)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000431509072 500386087 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/nfs/dbraw/zinc/48/14/08/500481408.db2.gz QRIQEDVFNCKETG-UHFFFAOYSA-N -1 3 358.348 3.439 20 0 FGADHM O=c1ccc2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3F)ccc2[nH]1 ZINC000432205564 500484007 /nfs/dbraw/zinc/48/40/07/500484007.db2.gz MFWFVWFGUVFLBF-UHFFFAOYSA-N -1 3 352.774 3.121 20 0 FGADHM CC(C)(C)[C@@H](CCO)[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000420668721 500486115 /nfs/dbraw/zinc/48/61/15/500486115.db2.gz FLGVQLFBSROBMQ-GFCCVEGCSA-N -1 3 371.833 3.017 20 0 FGADHM CCC(CC)(CO)C[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000420702466 500489765 /nfs/dbraw/zinc/48/97/65/500489765.db2.gz UHZXTXZSBIOUGQ-UHFFFAOYSA-N -1 3 371.833 3.018 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)C2(CO)CCC2)c(F)c1 ZINC000432277077 500492468 /nfs/dbraw/zinc/49/24/68/500492468.db2.gz MJOIBRIIMFPGQM-GOSISDBHSA-N -1 3 363.454 3.316 20 0 FGADHM CCC(CC)(CNC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1)C(=O)[O-] ZINC000424398702 500497330 /nfs/dbraw/zinc/49/73/30/500497330.db2.gz VXCDUAJJNGHRFS-NVXWUHKLSA-N -1 3 361.486 3.012 20 0 FGADHM CC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cccc(N(C)C)c2)c1 ZINC000432345456 500502535 /nfs/dbraw/zinc/50/25/35/500502535.db2.gz ICSUMHVAZPVECG-UHFFFAOYSA-N -1 3 352.843 3.409 20 0 FGADHM CN(C)c1cccc(S(=O)(=O)[N-]c2cc3c(cc2Cl)CCC3=O)c1 ZINC000432366144 500505548 /nfs/dbraw/zinc/50/55/48/500505548.db2.gz CAXLMHTZKCMJLB-UHFFFAOYSA-N -1 3 364.854 3.336 20 0 FGADHM CC(C)C[C@@H](CNC(=O)NCCN1CCC2(CCCCC2)CC1)C(=O)[O-] ZINC000424450009 500507811 /nfs/dbraw/zinc/50/78/11/500507811.db2.gz MROXBQQUXOIZLH-KRWDZBQOSA-N -1 3 367.534 3.079 20 0 FGADHM CC(C)[C@@H](C(=O)[O-])[C@@H](C)NCc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000424619377 500529224 /nfs/dbraw/zinc/52/92/24/500529224.db2.gz LLAHHHCXPLIBRS-BDJLRTHQSA-N -1 3 362.451 3.374 20 0 FGADHM CC(C)C1CCC(N(C)C(=O)[C@@H](C)[N-]S(=O)(=O)c2cccs2)CC1 ZINC000432545536 500530279 /nfs/dbraw/zinc/53/02/79/500530279.db2.gz IPMGQXPWKCMFHS-WLYUNCDWSA-N -1 3 372.556 3.088 20 0 FGADHM COc1cccc([C@@H](CC(=O)[O-])NCc2ccc3c(c2)OC(F)(F)O3)c1 ZINC000424625541 500530511 /nfs/dbraw/zinc/53/05/11/500530511.db2.gz SYXXPCCRNNDJEE-CQSZACIVSA-N -1 3 365.332 3.322 20 0 FGADHM C[C@H]1CC[C@H](C(=O)OC(C)(C)C)CN1Cc1nc2ccsc2c(=O)[n-]1 ZINC000420927406 500532549 /nfs/dbraw/zinc/53/25/49/500532549.db2.gz OGOVCGIQKOFDKJ-RYUDHWBXSA-N -1 3 363.483 3.339 20 0 FGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N(C)[C@@H]2CC[C@H](C)C2)cc1OC ZINC000428686101 500543826 /nfs/dbraw/zinc/54/38/26/500543826.db2.gz LLUZVCCVERLJGI-GXTWGEPZSA-N -1 3 369.487 3.109 20 0 FGADHM CSCCc1ccc([N-]S(=O)(=O)c2ccc(N(C)C)cc2)cc1 ZINC000432770383 500560717 /nfs/dbraw/zinc/56/07/17/500560717.db2.gz WOGWINNBFPCOSO-UHFFFAOYSA-N -1 3 350.509 3.459 20 0 FGADHM COc1ccc([N-]S(=O)(=O)c2ccc(N(C)C)cc2)cc1OC(C)C ZINC000432782524 500562751 /nfs/dbraw/zinc/56/27/51/500562751.db2.gz XMQRJUJESAUKDH-UHFFFAOYSA-N -1 3 364.467 3.349 20 0 FGADHM CC(C)[C@H](CNC(=O)c1cccc(C(=O)[O-])c1)N1CCc2ccccc2C1 ZINC000576636371 506203105 /nfs/dbraw/zinc/20/31/05/506203105.db2.gz XNGRXAQCDXIBPA-FQEVSTJZSA-N -1 3 366.461 3.198 20 0 FGADHM Cc1ccccc1S(=O)(=O)[N-]c1ccc(O[C@@H]2CCCC[C@H]2O)cc1 ZINC000442229267 500573090 /nfs/dbraw/zinc/57/30/90/500573090.db2.gz APPYLTWGZXILHW-QZTJIDSGSA-N -1 3 361.463 3.478 20 0 FGADHM COc1cccc(C(=O)NCCc2cccc(OCC(F)(F)F)c2)c1[O-] ZINC000436933872 500573311 /nfs/dbraw/zinc/57/33/11/500573311.db2.gz VLQZLEDCCQSPKM-UHFFFAOYSA-N -1 3 369.339 3.314 20 0 FGADHM [O-]c1ccc(OCc2ccccc2)cc1-c1nc(Cc2ccncn2)no1 ZINC000436931014 500573435 /nfs/dbraw/zinc/57/34/35/500573435.db2.gz YKVYEFAPGZDEHR-UHFFFAOYSA-N -1 3 360.373 3.402 20 0 FGADHM COc1ccc(Br)cc1CNC(=O)c1ccc([O-])c(C)c1 ZINC000436936713 500573989 /nfs/dbraw/zinc/57/39/89/500573989.db2.gz GNSFWZDKJSCABZ-UHFFFAOYSA-N -1 3 350.212 3.402 20 0 FGADHM CC[C@H]1Oc2cc([C@H](C)NC(=O)c3ccc([O-])c(C)c3)ccc2NC1=O ZINC000436939673 500574890 /nfs/dbraw/zinc/57/48/90/500574890.db2.gz POQNNLXLIVMLCH-YVEFUNNKSA-N -1 3 354.406 3.301 20 0 FGADHM COc1ccccc1[C@@H](CNC(=O)c1c([O-])cccc1F)N1CCCCC1 ZINC000436940529 500574942 /nfs/dbraw/zinc/57/49/42/500574942.db2.gz 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500576886 /nfs/dbraw/zinc/57/68/86/500576886.db2.gz LWKFQBNNFQCDOM-UHFFFAOYSA-N -1 3 363.435 3.091 20 0 FGADHM COC(=O)c1ccc([C@@H](NC(=O)c2ccccc2[O-])C(F)(F)F)cc1 ZINC000436951325 500577383 /nfs/dbraw/zinc/57/73/83/500577383.db2.gz ZCHYHFDUHAZVDU-CQSZACIVSA-N -1 3 353.296 3.212 20 0 FGADHM CCNC(=O)COc1ccc(NC(=O)c2ccc3c(c2[O-])CCCC3)cc1 ZINC000436950187 500577819 /nfs/dbraw/zinc/57/78/19/500577819.db2.gz MNRYAXGQIYOGLT-UHFFFAOYSA-N -1 3 368.433 3.038 20 0 FGADHM COc1ccc(OC)c(CN(C(=O)c2cccc(OC)c2[O-])C2CC2)c1 ZINC000436957486 500579093 /nfs/dbraw/zinc/57/90/93/500579093.db2.gz VPTHJHQWVDMVLK-UHFFFAOYSA-N -1 3 357.406 3.223 20 0 FGADHM CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)c2ccc3c(c2[O-])CCCC3)C1 ZINC000436956964 500579199 /nfs/dbraw/zinc/57/91/99/500579199.db2.gz QJSMNSVZESDOCC-NVXWUHKLSA-N -1 3 372.509 3.428 20 0 FGADHM COc1cccc(C(=O)N[C@@H](c2ccn(C)n2)c2ccc(Cl)cc2)c1[O-] ZINC000436963184 500581057 /nfs/dbraw/zinc/58/10/57/500581057.db2.gz YNRSKFSFUQFOKL-QGZVFWFLSA-N -1 3 371.824 3.307 20 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/nfs/dbraw/zinc/82/01/79/500820179.db2.gz NAJGUDUYJARKQU-TZMCWYRMSA-N -1 3 361.891 3.222 20 0 FGADHM C[C@H]1C[C@H](C)N(C(=O)c2c[n-]c3c(OC(F)(F)F)cccc3c2=O)C1 ZINC000444259060 500825189 /nfs/dbraw/zinc/82/51/89/500825189.db2.gz JRSSMMUQZDVJGN-UWVGGRQHSA-N -1 3 354.328 3.297 20 0 FGADHM C[C@@H]1C[C@H](C)N(C(=O)c2c[n-]c3c(OC(F)(F)F)cccc3c2=O)C1 ZINC000444259062 500825445 /nfs/dbraw/zinc/82/54/45/500825445.db2.gz JRSSMMUQZDVJGN-ZJUUUORDSA-N -1 3 354.328 3.297 20 0 FGADHM CC(C)[C@@H]1CN(C(=O)c2ccc(C(=O)c3cccc([O-])c3)cc2)CCO1 ZINC000444290270 500829841 /nfs/dbraw/zinc/82/98/41/500829841.db2.gz OIVVZEQZCLAIHI-IBGZPJMESA-N -1 3 353.418 3.120 20 0 FGADHM CC(C)C[C@@H](CO)N(C)C(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000444329671 500835453 /nfs/dbraw/zinc/83/54/53/500835453.db2.gz QETQSMFKKLRTQR-SFHVURJKSA-N -1 3 355.434 3.102 20 0 FGADHM COc1cccc(CN(C[C@H]2CCCO2)C(=O)Cc2ccc([O-])c(F)c2)c1 ZINC000448798067 500837391 /nfs/dbraw/zinc/83/73/91/500837391.db2.gz KVIIZFNVQDTGNB-GOSISDBHSA-N -1 3 373.424 3.290 20 0 FGADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCN(CC(F)F)CC1 ZINC000439059874 500851533 /nfs/dbraw/zinc/85/15/33/500851533.db2.gz OUXKBJQNWCPDPL-UHFFFAOYSA-N -1 3 374.431 3.200 20 0 FGADHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2nc(C3CCC3)cs2)cc1 ZINC000444531514 500856155 /nfs/dbraw/zinc/85/61/55/500856155.db2.gz NMCYWXAVZINGJS-UHFFFAOYSA-N -1 3 351.453 3.034 20 0 FGADHM Cc1ccccc1[C@@H](CC(F)(F)F)NC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000444611883 500866695 /nfs/dbraw/zinc/86/66/95/500866695.db2.gz SEBLCGVCACQEMJ-OAHLLOKOSA-N -1 3 367.371 3.460 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1F)c1cncs1 ZINC000439194247 500868707 /nfs/dbraw/zinc/86/87/07/500868707.db2.gz VMQAGJUIWBOFSJ-ZETCQYMHSA-N -1 3 365.249 3.084 20 0 FGADHM CSCCCC(=O)Nc1n[n-]c(-c2ccc(Br)cc2F)n1 ZINC000439250260 500874676 /nfs/dbraw/zinc/87/46/76/500874676.db2.gz TYRUKHXTNOUVHH-UHFFFAOYSA-N -1 3 373.251 3.455 20 0 FGADHM O=C(NCc1ccc([O-])c(Br)c1)NC1(CCO)CCCCC1 ZINC000582433125 506222160 /nfs/dbraw/zinc/22/21/60/506222160.db2.gz NFMJEFBMVBYJSB-UHFFFAOYSA-N -1 3 371.275 3.039 20 0 FGADHM COC(=O)c1cc(C(=O)[N-]c2nc(-c3cc(F)ccc3F)cs2)no1 ZINC000439298831 500882574 /nfs/dbraw/zinc/88/25/74/500882574.db2.gz RPDNKGRXVSMVKR-UHFFFAOYSA-N -1 3 365.317 3.115 20 0 FGADHM CCOC(=O)c1nc(C2CCN(C(=O)[C@H](C)CCC(C)(C)C)CC2)n[n-]1 ZINC000444758618 500893909 /nfs/dbraw/zinc/89/39/09/500893909.db2.gz OMUBTKDSUNHRHE-CYBMUJFWSA-N -1 3 364.490 3.150 20 0 FGADHM CCOC(=O)c1nnc(C2CCN(C(=O)[C@H](C)CCC(C)(C)C)CC2)[n-]1 ZINC000444758618 500893911 /nfs/dbraw/zinc/89/39/11/500893911.db2.gz OMUBTKDSUNHRHE-CYBMUJFWSA-N -1 3 364.490 3.150 20 0 FGADHM C[C@H](CN1CCN(C(=O)c2ccc([O-])cc2)CC1)c1cc(F)cc(F)c1 ZINC000449013901 500897152 /nfs/dbraw/zinc/89/71/52/500897152.db2.gz NCVANMUTXZSQNT-CQSZACIVSA-N -1 3 360.404 3.232 20 0 FGADHM Cc1noc(C)c1S(=O)(=O)[N-][C@H]1CCCC[C@H]1Oc1cccc(C)c1 ZINC000435120557 500935793 /nfs/dbraw/zinc/93/57/93/500935793.db2.gz KMTCPAMORKIPTM-DLBZAZTESA-N -1 3 364.467 3.268 20 0 FGADHM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H](C)c2ccc(C)cc2)cc1F ZINC000445046330 500937014 /nfs/dbraw/zinc/93/70/14/500937014.db2.gz FRNHRMLLGPXEMC-CYBMUJFWSA-N -1 3 365.426 3.003 20 0 FGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)c2ccc(F)c(C)c2)cc1F ZINC000445057808 500938984 /nfs/dbraw/zinc/93/89/84/500938984.db2.gz IQKYFJWMCONMBV-LLVKDONJSA-N -1 3 369.389 3.099 20 0 FGADHM COC[C@@H]1CN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C[C@H](C)O1 ZINC000439927955 500956327 /nfs/dbraw/zinc/95/63/27/500956327.db2.gz BGMUHFYTQSYEFB-YOEHRIQHSA-N -1 3 357.406 3.060 20 0 FGADHM CCCc1cc(=O)[n-]c(C(=Cc2ccc(N(C)CCOC)nc2)CC)n1 ZINC000435337069 500957384 /nfs/dbraw/zinc/95/73/84/500957384.db2.gz TZDKVRBNBZHZCL-FOWTUZBSSA-N -1 3 356.470 3.151 20 0 FGADHM O=C(N[C@H](CO)Cc1ccccc1)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000439958143 500959427 /nfs/dbraw/zinc/95/94/27/500959427.db2.gz QOZBLSULQZKOBN-LBPRGKRZSA-N -1 3 361.854 3.125 20 0 FGADHM CC[C@H](CNC(=O)c1cc(=O)c2ccccc2[n-]1)Oc1cccc(F)c1 ZINC000439994409 500963810 /nfs/dbraw/zinc/96/38/10/500963810.db2.gz KFPHOZSAPOABAM-CQSZACIVSA-N -1 3 354.381 3.255 20 0 FGADHM O=S(=O)([N-][C@@H]1CCN2CCCC[C@H]12)c1c(Cl)cc(F)cc1Cl ZINC000435438042 500976836 /nfs/dbraw/zinc/97/68/36/500976836.db2.gz MUISLLSCQRMPKF-CHWSQXEVSA-N -1 3 367.273 3.038 20 0 FGADHM CCOc1cc(-c2noc(-c3cnc(-c4ncccn4)s3)n2)ccc1[O-] ZINC000445426324 500984001 /nfs/dbraw/zinc/98/40/01/500984001.db2.gz IWZJIODGANCXQM-UHFFFAOYSA-N -1 3 367.390 3.421 20 0 FGADHM CCOc1cc(-c2noc([C@@H]3CC(=O)N[C@H](CC(C)C)C3)n2)ccc1[O-] ZINC000445425257 500984093 /nfs/dbraw/zinc/98/40/93/500984093.db2.gz CAJCOZDCDRHAEC-UONOGXRCSA-N -1 3 359.426 3.249 20 0 FGADHM CCCCn1ncc(C(=O)Nc2nnc(-c3c(F)cccc3F)[n-]2)c1C ZINC000435579705 500995268 /nfs/dbraw/zinc/99/52/68/500995268.db2.gz MKRMPMLELGWMNF-UHFFFAOYSA-N -1 3 360.368 3.307 20 0 FGADHM CCCCn1ncc(C(=O)Nc2nc(-c3c(F)cccc3F)n[n-]2)c1C ZINC000435579705 500995271 /nfs/dbraw/zinc/99/52/71/500995271.db2.gz MKRMPMLELGWMNF-UHFFFAOYSA-N -1 3 360.368 3.307 20 0 FGADHM CCCCn1ncc(C(=O)Nc2n[n-]c(-c3c(F)cccc3F)n2)c1C ZINC000435579705 500995275 /nfs/dbraw/zinc/99/52/75/500995275.db2.gz MKRMPMLELGWMNF-UHFFFAOYSA-N -1 3 360.368 3.307 20 0 FGADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)[C@@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000440363591 501000591 /nfs/dbraw/zinc/00/05/91/501000591.db2.gz ISAUGPILTSYNEG-QMMMGPOBSA-N -1 3 355.316 3.032 20 0 FGADHM COc1ccc(S(=O)(=O)[N-][C@H]2C[C@H](c3ccccc3F)C2)c(F)c1 ZINC000435606588 501001045 /nfs/dbraw/zinc/00/10/45/501001045.db2.gz XMXLOQWRDCUWGP-HAQNSBGRSA-N -1 3 353.390 3.198 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]Cc2ccccc2OC(F)F)c(F)cc1F ZINC000440376442 501001656 /nfs/dbraw/zinc/00/16/56/501001656.db2.gz GCJFCSLWDDAPSF-UHFFFAOYSA-N -1 3 363.332 3.353 20 0 FGADHM O=S(=O)([N-]C[C@H]1CCCN1C1CCCCC1)c1c(F)cccc1F ZINC000435635524 501005010 /nfs/dbraw/zinc/00/50/10/501005010.db2.gz GNILLCZZCODZNB-CQSZACIVSA-N -1 3 358.454 3.040 20 0 FGADHM COc1cccc(F)c1[C@@H](C)[N-]S(=O)(=O)c1cc(C)c(F)cc1F ZINC000440398570 501005064 /nfs/dbraw/zinc/00/50/64/501005064.db2.gz LJAMKVUCPXADQE-SNVBAGLBSA-N -1 3 359.369 3.460 20 0 FGADHM CCOC(=O)[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000435631193 501005209 /nfs/dbraw/zinc/00/52/09/501005209.db2.gz ATAQXGNQFHUOEZ-ZJUUUORDSA-N -1 3 366.266 3.004 20 0 FGADHM C[C@]1(C(=O)N=c2cc(-c3ccccc3)[n-][nH]2)CCCN1C(=O)c1ccccc1 ZINC000435672946 501009473 /nfs/dbraw/zinc/00/94/73/501009473.db2.gz LSHDCYYYHOSREV-JOCHJYFZSA-N -1 3 374.444 3.132 20 0 FGADHM CCc1noc2ncc(S(=O)(=O)[N-][C@@H](CC(F)(F)F)C(C)C)cc12 ZINC000445696236 501020525 /nfs/dbraw/zinc/02/05/25/501020525.db2.gz DXTMFEFDAJOSCJ-LBPRGKRZSA-N -1 3 365.377 3.041 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(NCCc3ccc4[nH]ccc4c3)nc2)n1 ZINC000440543751 501021627 /nfs/dbraw/zinc/02/16/27/501021627.db2.gz OHODEBDHLAUAPR-UHFFFAOYSA-N -1 3 359.433 3.364 20 0 FGADHM CCO[C@H]1CCN(Cc2ccc(OC)c([O-])c2Br)C[C@H]1C ZINC000449511767 501021868 /nfs/dbraw/zinc/02/18/68/501021868.db2.gz YWTHDEWBLMQLNK-YPMHNXCESA-N -1 3 358.276 3.410 20 0 FGADHM Cc1cccc(CNC(=O)Cc2noc(-c3ccc(C)c(C)c3[O-])n2)c1 ZINC000445726877 501024780 /nfs/dbraw/zinc/02/47/80/501024780.db2.gz UWHAPQMUFVVSTQ-UHFFFAOYSA-N -1 3 351.406 3.226 20 0 FGADHM CCOC(=O)c1c(C(C)C)csc1[N-]C(=O)C(=O)N(CC)C1CCC1 ZINC000441110255 501089510 /nfs/dbraw/zinc/08/95/10/501089510.db2.gz ZDUZVCGDVNQXLN-UHFFFAOYSA-N -1 3 366.483 3.388 20 0 FGADHM CCC(CC)Oc1ccc(C(=O)NCCNC(=O)c2ccc([O-])cc2)cc1 ZINC000449811100 501093707 /nfs/dbraw/zinc/09/37/07/501093707.db2.gz OWVOAXUNDZPZDY-UHFFFAOYSA-N -1 3 370.449 3.119 20 0 FGADHM Cc1nc(C)n(CCCC(=O)N=c2cc(-c3cc(C)c(C)cc3C)[n-][nH]2)n1 ZINC000449814264 501095495 /nfs/dbraw/zinc/09/54/95/501095495.db2.gz KENVXCIODITLCG-UHFFFAOYSA-N -1 3 366.469 3.051 20 0 FGADHM CC(C)n1cc(C(=O)[N-]c2nnc(SCc3cccs3)s2)nn1 ZINC000449818209 501096133 /nfs/dbraw/zinc/09/61/33/501096133.db2.gz DJCCZMOHBGIYIQ-UHFFFAOYSA-N -1 3 366.497 3.317 20 0 FGADHM CCO[C@@H](C)c1nc(CN(C)C(=O)Cc2ccc([O-])c(F)c2)cs1 ZINC000449973875 501142028 /nfs/dbraw/zinc/14/20/28/501142028.db2.gz SLNFQTGSHIMCQH-NSHDSACASA-N -1 3 352.431 3.286 20 0 FGADHM C[C@H]1CCC[C@]1(C)C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000449979367 501144055 /nfs/dbraw/zinc/14/40/55/501144055.db2.gz QFWSQBUISFIKER-GTNSWQLSSA-N -1 3 354.447 3.031 20 0 FGADHM Cc1nc(C(=O)N(C)C)ccc1C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000436516629 501145754 /nfs/dbraw/zinc/14/57/54/501145754.db2.gz USFKTTFZYZCLBF-UHFFFAOYSA-N -1 3 355.438 3.347 20 0 FGADHM O=C(NCCNC(=O)c1ccc([O-])cc1)Nc1cccc2ccsc21 ZINC000436518780 501146859 /nfs/dbraw/zinc/14/68/59/501146859.db2.gz ZWVKBPRTGIFLET-UHFFFAOYSA-N -1 3 355.419 3.158 20 0 FGADHM Cc1ccc(C(=O)NCCc2nc(-c3cccc4ncccc43)no2)c([O-])c1 ZINC000436522226 501147640 /nfs/dbraw/zinc/14/76/40/501147640.db2.gz SCERCVMBVBWXAF-UHFFFAOYSA-N -1 3 374.400 3.271 20 0 FGADHM CC1(C)C[C@@H]1CNC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436526191 501148434 /nfs/dbraw/zinc/14/84/34/501148434.db2.gz PXJCUFDJCARTTE-IEBWSBKVSA-N -1 3 366.461 3.416 20 0 FGADHM C[C@@H]1CN(C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C[C@H]1C ZINC000436524835 501148448 /nfs/dbraw/zinc/14/84/48/501148448.db2.gz CBGDKQCXZVPVKC-JXXFODFXSA-N -1 3 366.461 3.368 20 0 FGADHM CCCC[C@H]1CCC[C@@H]1NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436533381 501149893 /nfs/dbraw/zinc/14/98/93/501149893.db2.gz HYCOZOMIZCZQIE-WMZOPIPTSA-N -1 3 373.497 3.219 20 0 FGADHM CC(C)[C@H]1CN(C)CCN1C(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436534947 501150004 /nfs/dbraw/zinc/15/00/04/501150004.db2.gz JJYICMFXOISDGQ-HXUWFJFHSA-N -1 3 368.477 3.383 20 0 FGADHM Cc1cc(-c2csc([N-]C(=O)c3nc4nccc(C)n4n3)n2)ccc1F ZINC000441523801 501151410 /nfs/dbraw/zinc/15/14/10/501151410.db2.gz JLUUYHZBEAIZQL-UHFFFAOYSA-N -1 3 368.397 3.256 20 0 FGADHM COC(=O)c1ccc(OC(C)C)c(NC(=O)c2cc(OC)ccc2[O-])c1 ZINC000436539885 501152035 /nfs/dbraw/zinc/15/20/35/501152035.db2.gz PVYICCLKPLRIPE-UHFFFAOYSA-N -1 3 359.378 3.227 20 0 FGADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCN(C2CCC2)CC1 ZINC000436546558 501153702 /nfs/dbraw/zinc/15/37/02/501153702.db2.gz GVEHAMJFULFTEZ-UHFFFAOYSA-N -1 3 364.489 3.488 20 0 FGADHM CC(C)c1ccc(C(=O)N2CSC[C@@H]2C(=O)N[C@@H](C)C(C)C)c([O-])c1 ZINC000436546966 501153953 /nfs/dbraw/zinc/15/39/53/501153953.db2.gz PNSMEMAUUKZJEQ-XJKSGUPXSA-N -1 3 364.511 3.191 20 0 FGADHM COC(=O)CCCCNC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436549744 501154476 /nfs/dbraw/zinc/15/44/76/501154476.db2.gz WOHDJMROASBWPU-UHFFFAOYSA-N -1 3 357.406 3.044 20 0 FGADHM CCS(=O)(=O)C[C@@H](C)NC(=O)c1cc(C(C)C)cc(C(C)C)c1[O-] ZINC000436549671 501154545 /nfs/dbraw/zinc/15/45/45/501154545.db2.gz VCTVMEWLJCIRIC-CYBMUJFWSA-N -1 3 355.500 3.192 20 0 FGADHM COCCN(CCOc1ccc(F)cc1)C(=O)c1ccc(C)c(C)c1[O-] ZINC000436554155 501155353 /nfs/dbraw/zinc/15/53/53/501155353.db2.gz INOOUWPTMCDVNP-UHFFFAOYSA-N -1 3 361.413 3.316 20 0 FGADHM O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1)c1ccccc1[O-] ZINC000436559721 501157092 /nfs/dbraw/zinc/15/70/92/501157092.db2.gz YOXCTTZVZQEYQK-IBGZPJMESA-N -1 3 360.413 3.372 20 0 FGADHM O=C(NC[C@H]1CCC[C@@H](O)C1)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436564525 501157993 /nfs/dbraw/zinc/15/79/93/501157993.db2.gz PFIJHIPZTDLOEW-RBUKOAKNSA-N -1 3 353.462 3.458 20 0 FGADHM CO[C@H]1COCC[C@@H]1CC(=O)Nc1cc(Cc2ccccc2)ccc1[O-] ZINC000450031921 501159326 /nfs/dbraw/zinc/15/93/26/501159326.db2.gz JSZIPFVYYDSTAY-XLIONFOSSA-N -1 3 355.434 3.363 20 0 FGADHM CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3CN2C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436569958 501159644 /nfs/dbraw/zinc/15/96/44/501159644.db2.gz KRQMPMJYLQXTFU-LDAQOBCYSA-N -1 3 363.457 3.478 20 0 FGADHM Cn1cc([C@@H](NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)C(C)(C)C)cn1 ZINC000436575730 501160248 /nfs/dbraw/zinc/16/02/48/501160248.db2.gz OVMJVBOZCQDTCW-QGZVFWFLSA-N -1 3 357.454 3.356 20 0 FGADHM O=C(Nc1cccc(CN2CCC(O)CC2)c1)c1ccc(Cl)cc1[O-] ZINC000436574641 501160353 /nfs/dbraw/zinc/16/03/53/501160353.db2.gz KQZXQCKGPUDJGQ-UHFFFAOYSA-N -1 3 360.841 3.255 20 0 FGADHM C[C@@H](O)CC(C)(C)CNC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436575236 501160583 /nfs/dbraw/zinc/16/05/83/501160583.db2.gz NFNZEEXTRFQDFD-OAHLLOKOSA-N -1 3 357.450 3.498 20 0 FGADHM COCCOCCN(Cc1ccccc1)C(=O)c1ccc(C)c(C)c1[O-] ZINC000436583305 501163385 /nfs/dbraw/zinc/16/33/85/501163385.db2.gz KIZTUGVXOGCBJU-UHFFFAOYSA-N -1 3 357.450 3.314 20 0 FGADHM CCOC(=O)C[C@H](C)NC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436590217 501164646 /nfs/dbraw/zinc/16/46/46/501164646.db2.gz SDFYMBQQSHOQIU-AWEZNQCLSA-N -1 3 357.406 3.043 20 0 FGADHM COC(=O)c1cc(NC(=O)c2cc(OC)ccc2[O-])cc(Cl)c1F ZINC000436591365 501165248 /nfs/dbraw/zinc/16/52/48/501165248.db2.gz PWJATUKYJKFTRO-UHFFFAOYSA-N -1 3 353.733 3.232 20 0 FGADHM COC(=O)C[C@H]1CCCN1C(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436609255 501169012 /nfs/dbraw/zinc/16/90/12/501169012.db2.gz VSTVHRUKWOHATP-MRXNPFEDSA-N -1 3 369.417 3.139 20 0 FGADHM CC(=O)c1ccc(C(=O)N[C@H](c2ccc3c(c2)OCCO3)C2CC2)cc1[O-] ZINC000436608149 501169325 /nfs/dbraw/zinc/16/93/25/501169325.db2.gz PINXSSLEDOTAAF-FQEVSTJZSA-N -1 3 367.401 3.247 20 0 FGADHM O=C(Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)[C@H]1CCCC(=O)N1 ZINC000436609114 501169419 /nfs/dbraw/zinc/16/94/19/501169419.db2.gz RJRDQXQTTZLWEX-CQSZACIVSA-N -1 3 367.430 3.276 20 0 FGADHM Cc1cccc([C@@H](C)CNC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])c1 ZINC000436619342 501170798 /nfs/dbraw/zinc/17/07/98/501170798.db2.gz OWOCIOISGHUAQU-LPHOPBHVSA-N -1 3 366.461 3.225 20 0 FGADHM Cn1[nH]c(=O)c2c1nc(C1CC1)cc2C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000436630284 501174160 /nfs/dbraw/zinc/17/41/60/501174160.db2.gz MFVAJGBDTOCMLP-UHFFFAOYSA-N -1 3 358.785 3.163 20 0 FGADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCC=C(F)C1 ZINC000436633230 501174516 /nfs/dbraw/zinc/17/45/16/501174516.db2.gz YUQVSSLSTLIRLI-IBGZPJMESA-N -1 3 368.408 3.339 20 0 FGADHM C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)c1cc(F)c([O-])c(F)c1 ZINC000436640316 501176585 /nfs/dbraw/zinc/17/65/85/501176585.db2.gz OZZSTJKFOWRJRT-FZKQIMNGSA-N -1 3 360.404 3.311 20 0 FGADHM CCOc1cc(CNC(=O)c2c([O-])cccc2O)ccc1OC(F)F ZINC000436646740 501178229 /nfs/dbraw/zinc/17/82/29/501178229.db2.gz IYSJMUXHPOMSEZ-UHFFFAOYSA-N -1 3 353.321 3.028 20 0 FGADHM Cc1ccnc([C@@H](NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)C2CC2)n1 ZINC000436674902 501184868 /nfs/dbraw/zinc/18/48/68/501184868.db2.gz UITMWUCEGXRFMI-HNNXBMFYSA-N -1 3 353.422 3.085 20 0 FGADHM C[C@@H]1CN(C(C)(C)CNC(=O)c2ccc3ccccc3c2[O-])C[C@H](C)O1 ZINC000436672841 501184893 /nfs/dbraw/zinc/18/48/93/501184893.db2.gz CTMNZSYCLOPUDZ-GASCZTMLSA-N -1 3 356.466 3.163 20 0 FGADHM C[C@@H](Cc1ccccc1Br)NC(=O)c1ccc(O)cc1[O-] ZINC000436679839 501186597 /nfs/dbraw/zinc/18/65/97/501186597.db2.gz MIAKMGDKODTWQC-JTQLQIEISA-N -1 3 350.212 3.221 20 0 FGADHM CCCNC(=O)c1cccc(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)c1 ZINC000436680059 501186921 /nfs/dbraw/zinc/18/69/21/501186921.db2.gz IMGORVXPZBJTMC-UHFFFAOYSA-N -1 3 368.433 3.498 20 0 FGADHM C[C@H]1CCCC[C@@H]1CCNC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436686265 501188757 /nfs/dbraw/zinc/18/87/57/501188757.db2.gz NMLDKDDJIYNCOU-DLBZAZTESA-N -1 3 373.497 3.076 20 0 FGADHM C[C@H](NC(=O)c1ccc(O)cc1[O-])c1ccc(Br)cc1F ZINC000436695245 501190875 /nfs/dbraw/zinc/19/08/75/501190875.db2.gz CTUVQHJJNCDDIX-QMMMGPOBSA-N -1 3 354.175 3.490 20 0 FGADHM CC(C)(C)[C@H](O)C[C@H](CO)NC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436702826 501191377 /nfs/dbraw/zinc/19/13/77/501191377.db2.gz GHTYTYAMUKYTCI-AUUYWEPGSA-N -1 3 373.449 3.072 20 0 FGADHM COc1cc(-c2noc(-c3cc4c(cc3F)NC(=O)CC4)n2)ccc1[O-] ZINC000436702647 501191383 /nfs/dbraw/zinc/19/13/83/501191383.db2.gz DLVWGPHJOROGMZ-UHFFFAOYSA-N -1 3 355.325 3.142 20 0 FGADHM CCOc1c(Cl)cc(CNC(=O)c2ccc([O-])c(OC)c2)cc1OC ZINC000436701479 501191397 /nfs/dbraw/zinc/19/13/97/501191397.db2.gz AONVRGLQWGIGJE-UHFFFAOYSA-N -1 3 365.813 3.392 20 0 FGADHM CC(C)COc1ccc(CN2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000436700419 501191415 /nfs/dbraw/zinc/19/14/15/501191415.db2.gz VJEFYMLEPMGIEZ-UHFFFAOYSA-N -1 3 368.477 3.385 20 0 FGADHM CCOC(=O)c1sc([C@@H](C)NC(=O)c2ccc([O-])c(CC)c2)nc1C ZINC000436701354 501191632 /nfs/dbraw/zinc/19/16/32/501191632.db2.gz CRNLFLGTALAAAR-LLVKDONJSA-N -1 3 362.451 3.387 20 0 FGADHM CCc1ccc(C(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)c([O-])c1 ZINC000436703303 501192200 /nfs/dbraw/zinc/19/22/00/501192200.db2.gz DQLLGMRCTLRLTB-UHFFFAOYSA-N -1 3 353.827 3.264 20 0 FGADHM CC(C)c1ccc(C(=O)N[C@@H](CO)Cc2c[nH]c3ccccc23)c([O-])c1 ZINC000436704888 501192315 /nfs/dbraw/zinc/19/23/15/501192315.db2.gz QLLBHGLPBYRFKX-MRXNPFEDSA-N -1 3 352.434 3.330 20 0 FGADHM O=C(Cc1ccc([O-])c(F)c1)N1CCN(Cc2ccccc2Cl)CC1 ZINC000450144903 501193150 /nfs/dbraw/zinc/19/31/50/501193150.db2.gz ILHDEIUVRVYFCK-UHFFFAOYSA-N -1 3 362.832 3.072 20 0 FGADHM COc1ccc(Cl)cc1N1CC[C@H](NC(=O)c2ccc(C)cc2[O-])C1 ZINC000436705983 501193330 /nfs/dbraw/zinc/19/33/30/501193330.db2.gz BMOQNXTZBTWPKL-AWEZNQCLSA-N -1 3 360.841 3.371 20 0 FGADHM CCc1ccc(C(=O)Nc2cc(F)c(N3CCOCC3)cc2F)c([O-])c1 ZINC000436709450 501193688 /nfs/dbraw/zinc/19/36/88/501193688.db2.gz NGTFNFWNAKMVCL-UHFFFAOYSA-N -1 3 362.376 3.322 20 0 FGADHM CN(CCCN(C)C(=O)c1ccc2c(c1[O-])CCCC2)Cc1ccco1 ZINC000436715220 501195468 /nfs/dbraw/zinc/19/54/68/501195468.db2.gz WRAXLCKJVNAPSS-UHFFFAOYSA-N -1 3 356.466 3.458 20 0 FGADHM CCc1ccc(CN(C)C(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])cc1 ZINC000436728720 501198725 /nfs/dbraw/zinc/19/87/25/501198725.db2.gz BZEMSWHVNJWAEN-IBGZPJMESA-N -1 3 366.461 3.218 20 0 FGADHM C[C@H]1CN(C(=O)C(C)(C)C)C[C@H](C)N1C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436740497 501201649 /nfs/dbraw/zinc/20/16/49/501201649.db2.gz RBOAPDORNBSMFU-GJZGRUSLSA-N -1 3 372.509 3.379 20 0 FGADHM C[C@@H]1CN(C(=O)C(C)(C)C)C[C@@H](C)N1C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000436742443 501202589 /nfs/dbraw/zinc/20/25/89/501202589.db2.gz WIUACVBRFWNFJQ-HUUCEWRRSA-N -1 3 372.509 3.379 20 0 FGADHM CCCC(=O)Nc1cccc(NC(=O)c2cc(OC)c([O-])c(OC)c2)c1 ZINC000436747394 501202807 /nfs/dbraw/zinc/20/28/07/501202807.db2.gz ACDZRYLDOSEHQX-UHFFFAOYSA-N -1 3 358.394 3.400 20 0 FGADHM CCC[C@H]1CN(C(=O)c2ccc(O)cc2[O-])CCN1Cc1ccccc1 ZINC000436744817 501203319 /nfs/dbraw/zinc/20/33/19/501203319.db2.gz PYLJPGDQUXVJAP-KRWDZBQOSA-N -1 3 354.450 3.225 20 0 FGADHM O=C(Nc1cccc(-c2nc(-c3ccc([O-])cc3)no2)c1)[C@@H]1CCCO1 ZINC000436770778 501208507 /nfs/dbraw/zinc/20/85/07/501208507.db2.gz UQJPBMKLLXRNIN-INIZCTEOSA-N -1 3 351.362 3.227 20 0 FGADHM CSCc1cc(F)ccc1C[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000447152261 501209747 /nfs/dbraw/zinc/20/97/47/501209747.db2.gz GHUGJPWAGRGDTB-UHFFFAOYSA-N -1 3 361.410 3.445 20 0 FGADHM O=C(Nc1nc2ccccc2n1CCCn1ccnc1)c1ccccc1[O-] ZINC000436780036 501209889 /nfs/dbraw/zinc/20/98/89/501209889.db2.gz MOZYJKVFLOQTFI-UHFFFAOYSA-N -1 3 361.405 3.281 20 0 FGADHM CCN1CCN(Cc2ccc(NC(=O)c3ccc(Cl)cc3[O-])cc2)CC1 ZINC000436779415 501209975 /nfs/dbraw/zinc/20/99/75/501209975.db2.gz KXBUOYHEPRCJRK-UHFFFAOYSA-N -1 3 373.884 3.435 20 0 FGADHM COc1ccc(C2CCN(C(=O)c3cc(NC(C)=O)ccc3[O-])CC2)cc1 ZINC000436787994 501211520 /nfs/dbraw/zinc/21/15/20/501211520.db2.gz SCTLPCUOBWUWSB-UHFFFAOYSA-N -1 3 368.433 3.379 20 0 FGADHM O=C(c1ccc([O-])cc1)N1CCN(c2ccc3ccc(F)cc3n2)CC1 ZINC000436805931 501214420 /nfs/dbraw/zinc/21/44/20/501214420.db2.gz GMOBHHMIJYUWMF-UHFFFAOYSA-N -1 3 351.381 3.042 20 0 FGADHM COc1cc2c(cc1NC(=O)c1cc3c(cc1[O-])CCCC3)NC(=O)CC2 ZINC000436817421 501215859 /nfs/dbraw/zinc/21/58/59/501215859.db2.gz HGNPFQWNFGICMH-UHFFFAOYSA-N -1 3 366.417 3.417 20 0 FGADHM CCc1ccc(C(=O)N2CSC[C@@H]2C(=O)Nc2cccc(F)c2)c([O-])c1 ZINC000436817654 501215960 /nfs/dbraw/zinc/21/59/60/501215960.db2.gz BSPFJIIHTYQYHR-MRXNPFEDSA-N -1 3 374.437 3.248 20 0 FGADHM C[C@H](CCCC(F)(F)F)NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436820370 501216465 /nfs/dbraw/zinc/21/64/65/501216465.db2.gz HLBAHGZWRSJLRB-TZMCWYRMSA-N -1 3 372.387 3.234 20 0 FGADHM COCC[C@@H]1COCCN1C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436834621 501219093 /nfs/dbraw/zinc/21/90/93/501219093.db2.gz PYJRSNOTGHCYER-OAHLLOKOSA-N -1 3 357.406 3.062 20 0 FGADHM O=C(N[C@H]1CCC[C@@H]1CCO)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436838159 501219183 /nfs/dbraw/zinc/21/91/83/501219183.db2.gz JRXYIAJVOOCFCF-QUCCMNQESA-N -1 3 353.462 3.458 20 0 FGADHM COCCN(C(=O)c1cc(CCc2ccccc2)ccc1[O-])[C@@H]1CCOC1 ZINC000436839703 501219706 /nfs/dbraw/zinc/21/97/06/501219706.db2.gz UXZHLKBEPVSTKM-LJQANCHMSA-N -1 3 369.461 3.055 20 0 FGADHM CN(C)[C@H](CNC(=O)c1ccccc1[O-])c1cccc(C(F)(F)F)c1 ZINC000436842373 501220007 /nfs/dbraw/zinc/22/00/07/501220007.db2.gz DDYOFGALHNAQJS-OAHLLOKOSA-N -1 3 352.356 3.444 20 0 FGADHM O=C(Cc1ccc([O-])c(F)c1)N1CCN(c2ccc(F)cc2Cl)CC1 ZINC000450255528 501220368 /nfs/dbraw/zinc/22/03/68/501220368.db2.gz MMKHSZGZVSCJMC-UHFFFAOYSA-N -1 3 366.795 3.215 20 0 FGADHM O=C1c2ccccc2C(=O)N1CCCCc1nc(-c2ccc([O-])cc2)no1 ZINC000436868471 501224567 /nfs/dbraw/zinc/22/45/67/501224567.db2.gz HLAAMSOCJDBALP-UHFFFAOYSA-N -1 3 363.373 3.061 20 0 FGADHM COC(=O)c1ccc(C)c(NC(=O)c2ccc3c(c2)CCCC3=O)c1[O-] ZINC000436873747 501225524 /nfs/dbraw/zinc/22/55/24/501225524.db2.gz QUSMGBANUNPNBD-UHFFFAOYSA-N -1 3 353.374 3.259 20 0 FGADHM COc1cc(-c2noc(-c3cn(-c4cccc(Cl)c4)nn3)n2)ccc1[O-] ZINC000436878105 501226089 /nfs/dbraw/zinc/22/60/89/501226089.db2.gz RPSVJPPUARHHAU-UHFFFAOYSA-N -1 3 369.768 3.352 20 0 FGADHM COc1cccc(C(=O)N[C@H]2CCN(c3ccc(F)c(Cl)c3)C2)c1[O-] ZINC000436884710 501227199 /nfs/dbraw/zinc/22/71/99/501227199.db2.gz GXURJPHIIJTXKJ-NSHDSACASA-N -1 3 364.804 3.202 20 0 FGADHM COc1cccc([C@H]2[C@@H](NC(=O)c3ccc(F)cc3[O-])CCN2C2CC2)c1 ZINC000436890830 501228012 /nfs/dbraw/zinc/22/80/12/501228012.db2.gz VJSTVKGLJUFGKN-ICSRJNTNSA-N -1 3 370.424 3.248 20 0 FGADHM CC(C)C(=O)NCCCNC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436905191 501230072 /nfs/dbraw/zinc/23/00/72/501230072.db2.gz ZXEYUGNGKOPXCT-UHFFFAOYSA-N -1 3 356.422 3.077 20 0 FGADHM [O-]c1cc2ccccc2cc1-c1nc(-c2ccnc(N3CCOCC3)c2)no1 ZINC000436904424 501230112 /nfs/dbraw/zinc/23/01/12/501230112.db2.gz QEFXVAXOWOOETI-UHFFFAOYSA-N -1 3 374.400 3.494 20 0 FGADHM O=C(c1ccc([O-])cc1)N1CCN(CCc2ccc(F)cc2Cl)CC1 ZINC000436907980 501230696 /nfs/dbraw/zinc/23/06/96/501230696.db2.gz HRPWBWMMQHNVCU-UHFFFAOYSA-N -1 3 362.832 3.185 20 0 FGADHM COc1cccc(C(=O)NCc2ccc(C)cc2OC[C@@H]2CCOC2)c1[O-] ZINC000436917535 501232704 /nfs/dbraw/zinc/23/27/04/501232704.db2.gz BKOSXAOGAYHJGH-OAHLLOKOSA-N -1 3 371.433 3.055 20 0 FGADHM C[C@@H](CCN1CCN(C(=O)c2ccccc2[O-])CC1)OCc1ccccc1 ZINC000436927715 501233632 /nfs/dbraw/zinc/23/36/32/501233632.db2.gz OUCBMTJZHTWNQG-SFHVURJKSA-N -1 3 368.477 3.145 20 0 FGADHM COc1cccc(C(=O)Nc2ccc([C@H](C)N3CCOCC3)cc2)c1[O-] ZINC000436923976 501233880 /nfs/dbraw/zinc/23/38/80/501233880.db2.gz FGBIQYPXWODQAJ-AWEZNQCLSA-N -1 3 356.422 3.046 20 0 FGADHM O=S(=O)([N-]C[C@H]1CCN(C2CC2)C1)c1sc2ccccc2c1Cl ZINC000451045416 501241548 /nfs/dbraw/zinc/24/15/48/501241548.db2.gz RIFGITJTCWOAHN-LLVKDONJSA-N -1 3 370.927 3.317 20 0 FGADHM O=S(=O)([N-][C@H]1CCN2CCCC[C@H]12)c1sc2ccccc2c1Cl ZINC000451051554 501242149 /nfs/dbraw/zinc/24/21/49/501242149.db2.gz CFDXACBARCHWGK-QWHCGFSZSA-N -1 3 370.927 3.460 20 0 FGADHM COc1cc([N-]S(=O)(=O)C[C@@H](OC)c2ccccc2)cc(OC)c1C ZINC000451053617 501242220 /nfs/dbraw/zinc/24/22/20/501242220.db2.gz ZLZNBQHJVRNSNN-GOSISDBHSA-N -1 3 365.451 3.142 20 0 FGADHM Cc1csc(S(=O)(=O)[N-][C@H](c2ccc3c(c2)OCCO3)C2CC2)c1 ZINC000451093538 501245056 /nfs/dbraw/zinc/24/50/56/501245056.db2.gz FWOBVZFCMARJBN-KRWDZBQOSA-N -1 3 365.476 3.257 20 0 FGADHM CC[C@@H]1[C@@H](CO)CCN1Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000451251580 501254923 /nfs/dbraw/zinc/25/49/23/501254923.db2.gz GCOBNWTVABXBPI-DGCLKSJQSA-N -1 3 359.451 3.250 20 0 FGADHM CC[C@H]1[C@@H](CO)CCN1Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000451251583 501255065 /nfs/dbraw/zinc/25/50/65/501255065.db2.gz GCOBNWTVABXBPI-YPMHNXCESA-N -1 3 359.451 3.250 20 0 FGADHM CC(C)[C@@H]([N-]S(=O)(=O)c1sccc1Cl)c1nnc2ccccn21 ZINC000451296830 501259193 /nfs/dbraw/zinc/25/91/93/501259193.db2.gz NJTOMAYLSDEOSA-GFCCVEGCSA-N -1 3 370.887 3.120 20 0 FGADHM C[N-]S(=O)(=O)c1cc(NC(=O)N2CC[C@@H](CC(C)(C)C)C2)ccc1F ZINC000455410120 501295180 /nfs/dbraw/zinc/29/51/80/501295180.db2.gz ZWHDQYPEUKOXBW-LBPRGKRZSA-N -1 3 371.478 3.024 20 0 FGADHM CC(C)[C@H]([N-]S(=O)(=O)c1cc(Cl)sc1Cl)c1ncc[nH]1 ZINC000451549192 501320073 /nfs/dbraw/zinc/32/00/73/501320073.db2.gz PCJHBQDPDBCAJH-VIFPVBQESA-N -1 3 354.284 3.454 20 0 FGADHM O=c1nc(CN2CCC[C@@H](CCO)C2)[n-]c2scc(-c3ccco3)c21 ZINC000607733561 506246706 /nfs/dbraw/zinc/24/67/06/506246706.db2.gz ZODCCDGULFJSFM-LBPRGKRZSA-N -1 3 359.451 3.251 20 0 FGADHM CC(F)(F)CC[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000451613425 501336926 /nfs/dbraw/zinc/33/69/26/501336926.db2.gz NDLPJXOHSUMQIS-UHFFFAOYSA-N -1 3 362.623 3.426 20 0 FGADHM CO[C@@H](C[N-]S(=O)(=O)c1ccccc1C(F)(F)F)Cc1ccccc1 ZINC000451663941 501346891 /nfs/dbraw/zinc/34/68/91/501346891.db2.gz NNUIXVUEDCUYKM-CQSZACIVSA-N -1 3 373.396 3.241 20 0 FGADHM O=C([O-])c1ccc(CN2CCC(C(=O)N3CCc4ccccc43)CC2)cc1 ZINC000455611759 501347067 /nfs/dbraw/zinc/34/70/67/501347067.db2.gz FKACZPLEQVVEJQ-UHFFFAOYSA-N -1 3 364.445 3.186 20 0 FGADHM O=C(CCc1ccc2ccccc2c1[O-])N1CCN[C@H](c2ccncc2)C1 ZINC000451672128 501347729 /nfs/dbraw/zinc/34/77/29/501347729.db2.gz RJVIEMIIDMLIMR-FQEVSTJZSA-N -1 3 361.445 3.046 20 0 FGADHM CSCC1CCC([N-]S(=O)(=O)c2cnccc2C(F)(F)F)CC1 ZINC000451737000 501363244 /nfs/dbraw/zinc/36/32/44/501363244.db2.gz GCICSFNCAVDLIH-UHFFFAOYSA-N -1 3 368.446 3.301 20 0 FGADHM Cc1ncsc1CC[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000451782201 501370945 /nfs/dbraw/zinc/37/09/45/501370945.db2.gz AXSAUPWAKJDZGU-UHFFFAOYSA-N -1 3 368.377 3.130 20 0 FGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H]1CCO[C@@H](C(C)C)C1 ZINC000451815073 501378118 /nfs/dbraw/zinc/37/81/18/501378118.db2.gz HHDYHJXUDLTFGG-IUODEOHRSA-N -1 3 361.891 3.078 20 0 FGADHM CO[C@](C)(C[N-]S(=O)(=O)C[C@@H]1CCCCC1(F)F)c1ccccc1 ZINC000451814987 501378185 /nfs/dbraw/zinc/37/81/85/501378185.db2.gz UZFHZOXWEPTPFZ-JKSUJKDBSA-N -1 3 361.454 3.293 20 0 FGADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)NC1CCC(C(F)F)CC1 ZINC000458152225 501380306 /nfs/dbraw/zinc/38/03/06/501380306.db2.gz AKVXWZWHEINENS-UHFFFAOYSA-N -1 3 364.396 3.105 20 0 FGADHM COc1ccc(S(=O)(=O)[N-][C@H](C)[C@@H](OC)C2CC2)c(Cl)c1Cl ZINC000451998928 501415551 /nfs/dbraw/zinc/41/55/51/501415551.db2.gz VGOTXDQNYUVUCL-XLKFXECMSA-N -1 3 368.282 3.094 20 0 FGADHM CO[C@@H]([C@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)C1CC1 ZINC000452002061 501416271 /nfs/dbraw/zinc/41/62/71/501416271.db2.gz YIROMQHUCBEZDV-SDBXPKJASA-N -1 3 371.808 3.451 20 0 FGADHM CCO[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000452055024 501426176 /nfs/dbraw/zinc/42/61/76/501426176.db2.gz AZMWCZROYXSCPO-VXGBXAGGSA-N -1 3 355.353 3.080 20 0 FGADHM Cc1ccc(F)c(S(=O)(=O)[N-][C@H](c2cccs2)C2(CO)CCC2)c1 ZINC000452090299 501432563 /nfs/dbraw/zinc/43/25/63/501432563.db2.gz QPWKHKQHINHPEC-MRXNPFEDSA-N -1 3 369.483 3.378 20 0 FGADHM COc1ccc(C(=O)N[C@@H](CCO)c2cccc(C(F)(F)F)c2)c([O-])c1 ZINC000456066605 501447533 /nfs/dbraw/zinc/44/75/33/501447533.db2.gz UGOPBJWZMYBUJN-HNNXBMFYSA-N -1 3 369.339 3.273 20 0 FGADHM CC[C@@H]1CCC[C@H]1CNC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000452517734 501517434 /nfs/dbraw/zinc/51/74/34/501517434.db2.gz DIWKOTOCXPFPLS-WBVHZDCISA-N -1 3 368.481 3.015 20 0 FGADHM COc1ccc([O-])c(C(=O)N[C@@H](CCO)c2cccc(C(F)(F)F)c2)c1 ZINC000452532822 501519117 /nfs/dbraw/zinc/51/91/17/501519117.db2.gz QCTWWOMCNNAQHG-HNNXBMFYSA-N -1 3 369.339 3.273 20 0 FGADHM CC[C@H](C)n1c2ccc(NC(=O)c3cnn[n-]3)cc2nc1C(F)(F)F ZINC000452576973 501526304 /nfs/dbraw/zinc/52/63/04/501526304.db2.gz LSLOOZKYCZYWKO-QMMMGPOBSA-N -1 3 352.320 3.397 20 0 FGADHM CC[C@H](C)n1c2ccc(NC(=O)c3c[n-]nn3)cc2nc1C(F)(F)F ZINC000452576973 501526306 /nfs/dbraw/zinc/52/63/06/501526306.db2.gz LSLOOZKYCZYWKO-QMMMGPOBSA-N -1 3 352.320 3.397 20 0 FGADHM CC[C@H](C)n1c2ccc(NC(=O)c3cn[n-]n3)cc2nc1C(F)(F)F ZINC000452576973 501526309 /nfs/dbraw/zinc/52/63/09/501526309.db2.gz LSLOOZKYCZYWKO-QMMMGPOBSA-N -1 3 352.320 3.397 20 0 FGADHM CN(C(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1)[C@@H](CO)CC(C)(C)C ZINC000456447628 501527454 /nfs/dbraw/zinc/52/74/54/501527454.db2.gz OQPPTGLZNSNHCK-GOSISDBHSA-N -1 3 369.461 3.492 20 0 FGADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CC[C@](O)(C(F)F)C1 ZINC000452691995 501545827 /nfs/dbraw/zinc/54/58/27/501545827.db2.gz JJLRNINHLMPGTJ-HXUWFJFHSA-N -1 3 361.388 3.020 20 0 FGADHM CS(=O)(=O)[N-]c1ccc(C(=O)N2CC3(CCC3)[C@H]2c2ccco2)cc1 ZINC000456550704 501547093 /nfs/dbraw/zinc/54/70/93/501547093.db2.gz CKGVPRFCHZVNFR-MRXNPFEDSA-N -1 3 360.435 3.019 20 0 FGADHM Cc1cccc2c1CC(C)(C)N(C(=O)c1ccc([N-]S(C)(=O)=O)cc1)C2 ZINC000452980317 501596001 /nfs/dbraw/zinc/59/60/01/501596001.db2.gz NSLOMCXKZYIJRE-UHFFFAOYSA-N -1 3 372.490 3.344 20 0 FGADHM C[C@@H](N1CCN(Cc2cccc([O-])c2Br)CC1)C(F)(F)F ZINC000459362654 501639245 /nfs/dbraw/zinc/63/92/45/501639245.db2.gz TZGKRRCTPGARKP-SNVBAGLBSA-N -1 3 367.209 3.223 20 0 FGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@@H]2C[C@]2(C)C(C)C)cc1OC ZINC000459363650 501639763 /nfs/dbraw/zinc/63/97/63/501639763.db2.gz ZIPFIRAZSJXGMS-NVXWUHKLSA-N -1 3 369.487 3.013 20 0 FGADHM C[C@@H](NCc1cccc([O-])c1Br)C(=O)N1CCCC[C@H]1C ZINC000459403992 501647423 /nfs/dbraw/zinc/64/74/23/501647423.db2.gz HCSNIHKHCHPJNZ-VXGBXAGGSA-N -1 3 355.276 3.034 20 0 FGADHM Cc1ccc(C(=O)N(C)C2CCN(CCC(F)(F)F)CC2)c([O-])c1C ZINC000457085112 501647591 /nfs/dbraw/zinc/64/75/91/501647591.db2.gz LXVHHDFHXBCWDX-UHFFFAOYSA-N -1 3 358.404 3.498 20 0 FGADHM COc1ccc(C(=O)N2CCC3(CC2)OCCc2ccccc23)c([O-])c1 ZINC000457108000 501651580 /nfs/dbraw/zinc/65/15/80/501651580.db2.gz ATVXPLWUKZCVRP-UHFFFAOYSA-N -1 3 353.418 3.105 20 0 FGADHM CC(C)[C@H]1N(C(=O)c2ccc([N-]S(C)(=O)=O)cc2)CC12CCCC2 ZINC000457157844 501659749 /nfs/dbraw/zinc/65/97/49/501659749.db2.gz DKHOWYHMLDOCKC-MRXNPFEDSA-N -1 3 350.484 3.099 20 0 FGADHM [O-]c1cccc(CN2CCC[C@H]([C@@H](O)C(F)(F)F)C2)c1Br ZINC000459502233 501664898 /nfs/dbraw/zinc/66/48/98/501664898.db2.gz GDFNRBDMTDLVRT-GXFFZTMASA-N -1 3 368.193 3.290 20 0 FGADHM O=c1cc(CN2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)nc(-c2ccccc2)[n-]1 ZINC000459511008 501666760 /nfs/dbraw/zinc/66/67/60/501666760.db2.gz ZQFWEZGVTZRGMP-HKUYNNGSSA-N -1 3 351.450 3.383 20 0 FGADHM CC(C)(C)OC(=O)[C@]1(C)CCN(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000457226522 501668605 /nfs/dbraw/zinc/66/86/05/501668605.db2.gz FSYMUFGWTUSVRR-HXUWFJFHSA-N -1 3 365.445 3.434 20 0 FGADHM CC[C@@]1(C(C)C)C[C@H]1NC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000457256740 501673071 /nfs/dbraw/zinc/67/30/71/501673071.db2.gz BHFOGGOXCBVZOF-XLIONFOSSA-N -1 3 371.437 3.495 20 0 FGADHM CC(C)CN(Cc1cnn(C)c1)C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000457344004 501684750 /nfs/dbraw/zinc/68/47/50/501684750.db2.gz OIMVICFVXJWBRO-UHFFFAOYSA-N -1 3 357.454 3.138 20 0 FGADHM CC[C@@H](C)[C@@H](CNC(=O)NCc1ccc([O-])c(Br)c1)OC ZINC000455221725 501710543 /nfs/dbraw/zinc/71/05/43/501710543.db2.gz KCTQZESHKYTYNX-QMTHXVAHSA-N -1 3 359.264 3.015 20 0 FGADHM COC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000474161987 501727382 /nfs/dbraw/zinc/72/73/82/501727382.db2.gz ZYAKENPFGLQVQO-CYBMUJFWSA-N -1 3 357.834 3.015 20 0 FGADHM O=C(Nc1nnc(-c2cc3ccccc3o2)[n-]1)c1cccc(-n2ccnn2)c1 ZINC000485140159 501736496 /nfs/dbraw/zinc/73/64/96/501736496.db2.gz HJHKFDAOBRMWPF-UHFFFAOYSA-N -1 3 371.360 3.051 20 0 FGADHM O=C(Nc1nc(-c2cc3ccccc3o2)n[n-]1)c1cccc(-n2ccnn2)c1 ZINC000485140159 501736498 /nfs/dbraw/zinc/73/64/98/501736498.db2.gz HJHKFDAOBRMWPF-UHFFFAOYSA-N -1 3 371.360 3.051 20 0 FGADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)c1cccc(-n2ccnn2)c1 ZINC000485140159 501736502 /nfs/dbraw/zinc/73/65/02/501736502.db2.gz HJHKFDAOBRMWPF-UHFFFAOYSA-N -1 3 371.360 3.051 20 0 FGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000470599492 501739662 /nfs/dbraw/zinc/73/96/62/501739662.db2.gz JBQCIUPSKBKHDS-KCPJHIHWSA-N -1 3 369.870 3.486 20 0 FGADHM COC(=O)CCCC[N-]S(=O)(=O)c1oc2ccc(Cl)cc2c1C ZINC000470606411 501741040 /nfs/dbraw/zinc/74/10/40/501741040.db2.gz MTTRKRNNEKVNLR-UHFFFAOYSA-N -1 3 359.831 3.016 20 0 FGADHM CCn1cnc(S(=O)(=O)[N-]C2(c3c(Cl)cccc3Cl)CC2)c1 ZINC000470606755 501741812 /nfs/dbraw/zinc/74/18/12/501741812.db2.gz PCEBEJOHUFHBBH-UHFFFAOYSA-N -1 3 360.266 3.177 20 0 FGADHM CCc1[n-][nH]c(=NC(=O)N[C@H](c2c(F)cccc2F)C(F)(F)F)c1C ZINC000481359971 501754600 /nfs/dbraw/zinc/75/46/00/501754600.db2.gz NJHJRJMKYPMSQR-GFCCVEGCSA-N -1 3 362.302 3.406 20 0 FGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(NC(C)=O)cc1Cl ZINC000474312145 501786367 /nfs/dbraw/zinc/78/63/67/501786367.db2.gz NUMDKJKALNPPHU-UHFFFAOYSA-N -1 3 366.830 3.077 20 0 FGADHM CSc1cc2c(cc1[N-]C(=O)c1nc(C)ncc1Cl)OCCO2 ZINC000607818097 506273529 /nfs/dbraw/zinc/27/35/29/506273529.db2.gz PQHQGAJXOVLULK-UHFFFAOYSA-N -1 3 351.815 3.184 20 0 FGADHM COc1ccc([N-]S(=O)(=O)c2c(C)cc(F)cc2C)cc1NC(C)=O ZINC000485393912 501807260 /nfs/dbraw/zinc/80/72/60/501807260.db2.gz DPXDURAMHBDHDL-UHFFFAOYSA-N -1 3 366.414 3.210 20 0 FGADHM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1ccc(C(C)(C)C(N)=O)cc1 ZINC000485394016 501807357 /nfs/dbraw/zinc/80/73/57/501807357.db2.gz FEHAXKQIZSQNAA-UHFFFAOYSA-N -1 3 364.442 3.006 20 0 FGADHM COc1c2ccccc2oc1C[N-]S(=O)(=O)c1cccc2cccnc21 ZINC000474372061 501810473 /nfs/dbraw/zinc/81/04/73/501810473.db2.gz LTJKFPDMKOBWEQ-UHFFFAOYSA-N -1 3 368.414 3.468 20 0 FGADHM Cc1ccc(CC(=O)Nc2ccc(F)c([N-]S(C)(=O)=O)c2)c(Cl)c1 ZINC000474376226 501811847 /nfs/dbraw/zinc/81/18/47/501811847.db2.gz TVOGVKIHAZMSBL-UHFFFAOYSA-N -1 3 370.833 3.340 20 0 FGADHM COCc1nc(S[C@@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)n[n-]1 ZINC000474384855 501816563 /nfs/dbraw/zinc/81/65/63/501816563.db2.gz NQCVXIZYSQSVIO-JTQLQIEISA-N -1 3 354.863 3.341 20 0 FGADHM O=S(=O)([N-]CCOC(F)(F)F)c1csc2ccc(Cl)cc21 ZINC000474393860 501819725 /nfs/dbraw/zinc/81/97/25/501819725.db2.gz IMVLEGVONUGDGS-UHFFFAOYSA-N -1 3 359.778 3.369 20 0 FGADHM CCCOc1cc(F)ccc1NC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000470886402 501842785 /nfs/dbraw/zinc/84/27/85/501842785.db2.gz QCPJXXMOEINYOJ-UHFFFAOYSA-N -1 3 366.414 3.238 20 0 FGADHM CCc1cc(C(=O)N[C@@H](c2nccn2C)c2ccc(F)cc2)ccc1[O-] ZINC000485611046 501876843 /nfs/dbraw/zinc/87/68/43/501876843.db2.gz 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/nfs/dbraw/zinc/29/94/76/502299476.db2.gz JOPRIUHCIORBDS-UHFFFAOYSA-N -1 3 372.805 3.112 20 0 FGADHM CC(C)[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000462082940 502301099 /nfs/dbraw/zinc/30/10/99/502301099.db2.gz YWHFGGJCQCRSEL-SKDRFNHKSA-N -1 3 357.419 3.106 20 0 FGADHM COc1cccc(CC[N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)c1 ZINC000462098611 502305945 /nfs/dbraw/zinc/30/59/45/502305945.db2.gz DELSJUHAIHQVCZ-UHFFFAOYSA-N -1 3 365.398 3.297 20 0 FGADHM CCC1(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)CCOCC1 ZINC000462111220 502310661 /nfs/dbraw/zinc/31/06/61/502310661.db2.gz YVINJKIQLDXQMK-UHFFFAOYSA-N -1 3 357.419 3.252 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-]C[C@H]1SCCc2ccccc21 ZINC000472357006 502327415 /nfs/dbraw/zinc/32/74/15/502327415.db2.gz XLELBTFAKNEYMH-CQSZACIVSA-N -1 3 355.506 3.066 20 0 FGADHM CC(C)Cn1cnc(S(=O)(=O)[N-]C2(c3ccc(Cl)cc3)CC2)c1 ZINC000486998055 502327535 /nfs/dbraw/zinc/32/75/35/502327535.db2.gz LJAMHDATEJOXGT-UHFFFAOYSA-N -1 3 353.875 3.160 20 0 FGADHM CCC(=O)Nc1ccc(NC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)cc1 ZINC000483285308 502339160 /nfs/dbraw/zinc/33/91/60/502339160.db2.gz SSOCATNFASTDFJ-UHFFFAOYSA-N -1 3 371.343 3.407 20 0 FGADHM CCC(=O)Nc1ccc(NC(=O)c2cnc3c(F)cc(F)cc3c2[O-])cc1 ZINC000483285308 502339164 /nfs/dbraw/zinc/33/91/64/502339164.db2.gz SSOCATNFASTDFJ-UHFFFAOYSA-N -1 3 371.343 3.407 20 0 FGADHM COCc1nocc1C(=O)[N-]c1nc(-c2ccccc2)c(NC(C)=O)s1 ZINC000487044074 502340053 /nfs/dbraw/zinc/34/00/53/502340053.db2.gz KISGRETXVXEGLP-UHFFFAOYSA-N -1 3 372.406 3.155 20 0 FGADHM Cc1ccc(SC[C@@H](C)NC(=O)NCc2nnc(C(F)(F)F)[n-]2)cc1 ZINC000483316309 502348389 /nfs/dbraw/zinc/34/83/89/502348389.db2.gz SOFAPSLPQYZFBM-SNVBAGLBSA-N -1 3 373.404 3.112 20 0 FGADHM Cc1ccc(SC[C@@H](C)NC(=O)NCc2n[n-]c(C(F)(F)F)n2)cc1 ZINC000483316309 502348394 /nfs/dbraw/zinc/34/83/94/502348394.db2.gz SOFAPSLPQYZFBM-SNVBAGLBSA-N -1 3 373.404 3.112 20 0 FGADHM Cc1ccc(SC[C@@H](C)NC(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000483316309 502348399 /nfs/dbraw/zinc/34/83/99/502348399.db2.gz SOFAPSLPQYZFBM-SNVBAGLBSA-N -1 3 373.404 3.112 20 0 FGADHM Cc1cc(C)c2[n-]cc(C(=O)N3CCC[C@]4(CCCOC4)C3)c(=O)c2c1 ZINC000483337981 502355196 /nfs/dbraw/zinc/35/51/96/502355196.db2.gz NAZIZDKKXSTKDS-NRFANRHFSA-N -1 3 354.450 3.178 20 0 FGADHM C[C@@H](Cc1ccncc1)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000487104661 502360096 /nfs/dbraw/zinc/36/00/96/502360096.db2.gz RBVSBTJELAEVRQ-JTQLQIEISA-N -1 3 362.348 3.149 20 0 FGADHM COc1ccccc1CCC(=O)Nc1nnc(-c2c(F)cccc2F)[n-]1 ZINC000479764336 502370591 /nfs/dbraw/zinc/37/05/91/502370591.db2.gz FWQPPVFMAXBRNH-UHFFFAOYSA-N -1 3 358.348 3.330 20 0 FGADHM COc1ccccc1CCC(=O)Nc1nc(-c2c(F)cccc2F)n[n-]1 ZINC000479764336 502370594 /nfs/dbraw/zinc/37/05/94/502370594.db2.gz FWQPPVFMAXBRNH-UHFFFAOYSA-N -1 3 358.348 3.330 20 0 FGADHM COc1ccccc1CCC(=O)Nc1n[n-]c(-c2c(F)cccc2F)n1 ZINC000479764336 502370597 /nfs/dbraw/zinc/37/05/97/502370597.db2.gz FWQPPVFMAXBRNH-UHFFFAOYSA-N -1 3 358.348 3.330 20 0 FGADHM Cc1nc(C)c(CC(=O)N[C@H](C)C2(c3ccccc3)CCCC2)c(=O)[n-]1 ZINC000479771631 502372915 /nfs/dbraw/zinc/37/29/15/502372915.db2.gz OFWVVBKHMOPLON-OAHLLOKOSA-N -1 3 353.466 3.358 20 0 FGADHM COc1ccc(S(=O)(=O)[N-][C@@H]2COc3ccccc32)c(Cl)c1Cl ZINC000462278145 502378382 /nfs/dbraw/zinc/37/83/82/502378382.db2.gz VWLCDEWJHYVBNK-SNVBAGLBSA-N -1 3 374.245 3.414 20 0 FGADHM Cc1ccc(-c2nnc([N-]C(=O)c3cn(C(C)(C)C)nn3)s2)c(C)c1 ZINC000479806075 502383722 /nfs/dbraw/zinc/38/37/22/502383722.db2.gz KFNQJYFNSGXLOR-UHFFFAOYSA-N -1 3 356.455 3.421 20 0 FGADHM CCc1ccc([C@H](COC)[N-]S(=O)(=O)c2cccc(Cl)c2C)o1 ZINC000462322904 502392116 /nfs/dbraw/zinc/39/21/16/502392116.db2.gz RQWKTFFVDPIINK-AWEZNQCLSA-N -1 3 357.859 3.470 20 0 FGADHM CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccccc2C(F)(F)F)C12CCC2 ZINC000462322861 502392496 /nfs/dbraw/zinc/39/24/96/502392496.db2.gz RBNCBUVYVZXNBP-KGLIPLIRSA-N -1 3 363.401 3.331 20 0 FGADHM CCOC(=O)[C@@]1(Cc2ccccc2)CCCN1Cc1nc(C)ccc1[O-] ZINC000483441439 502393617 /nfs/dbraw/zinc/39/36/17/502393617.db2.gz RZDXZSYPGGGIDE-NRFANRHFSA-N -1 3 354.450 3.236 20 0 FGADHM COc1ccccc1[C@]1(C)C[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000462327262 502394072 /nfs/dbraw/zinc/39/40/72/502394072.db2.gz NKLCCFDMWYKWGZ-IRXDYDNUSA-N -1 3 369.845 3.496 20 0 FGADHM CCCC[C@H](COC)[N-]S(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000462348621 502402435 /nfs/dbraw/zinc/40/24/35/502402435.db2.gz WREYMHUXOIETQB-SNVBAGLBSA-N -1 3 370.298 3.486 20 0 FGADHM Cn1nc(-c2ccncc2)cc1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000469404268 502403644 /nfs/dbraw/zinc/40/36/44/502403644.db2.gz QZJIBTSUCSVQGD-UHFFFAOYSA-N -1 3 354.385 3.288 20 0 FGADHM O=C(NCCCCF)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000462364791 502409148 /nfs/dbraw/zinc/40/91/48/502409148.db2.gz XIIOTZWNKSVCLW-UHFFFAOYSA-N -1 3 368.405 3.106 20 0 FGADHM C[C@@H]1C[C@@H](NC(=O)CCCc2ccc([O-])c(F)c2)C(=O)N1c1ccccc1 ZINC000469426388 502412240 /nfs/dbraw/zinc/41/22/40/502412240.db2.gz NGTTVPFWVZLWEX-RDTXWAMCSA-N -1 3 370.424 3.164 20 0 FGADHM Cc1ccc2c(C(=O)NCCCNC(=O)c3cccc([O-])c3)csc2c1 ZINC000479922258 502420118 /nfs/dbraw/zinc/42/01/18/502420118.db2.gz GYYZTBNQUWCHNC-UHFFFAOYSA-N -1 3 368.458 3.465 20 0 FGADHM C[C@H](c1cc2ccccc2o1)N(C)C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000483543011 502426817 /nfs/dbraw/zinc/42/68/17/502426817.db2.gz MSGUBUCDIKHMPM-SECBINFHSA-N -1 3 367.331 3.472 20 0 FGADHM C[C@H](c1cc2ccccc2o1)N(C)C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000483543011 502426820 /nfs/dbraw/zinc/42/68/20/502426820.db2.gz MSGUBUCDIKHMPM-SECBINFHSA-N -1 3 367.331 3.472 20 0 FGADHM C[C@H](c1cc2ccccc2o1)N(C)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000483543011 502426824 /nfs/dbraw/zinc/42/68/24/502426824.db2.gz MSGUBUCDIKHMPM-SECBINFHSA-N -1 3 367.331 3.472 20 0 FGADHM CCn1cc(S(=O)(=O)[N-]C(C)(C)c2cccc(Cl)c2F)nc1C ZINC000472735061 502428272 /nfs/dbraw/zinc/42/82/72/502428272.db2.gz KRYRRYDOIZJMOM-UHFFFAOYSA-N -1 3 359.854 3.218 20 0 FGADHM CCCOc1ccccc1NC(=O)NCCCNC(=O)c1cccc([O-])c1 ZINC000479955957 502429522 /nfs/dbraw/zinc/42/95/22/502429522.db2.gz KWWQDRPOYXOOQF-UHFFFAOYSA-N -1 3 371.437 3.123 20 0 FGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)c1cccc(I)c1 ZINC000592950114 506312629 /nfs/dbraw/zinc/31/26/29/506312629.db2.gz KZWZBDUVHMWBBI-UHFFFAOYSA-N -1 3 369.206 3.120 20 0 FGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)c1ccccc1I ZINC000592949469 506312662 /nfs/dbraw/zinc/31/26/62/506312662.db2.gz CXWGGOPXDLXKKM-UHFFFAOYSA-N -1 3 369.206 3.120 20 0 FGADHM CCCN(C(=O)NCc1nnc(C(F)(F)F)[n-]1)[C@H]1CCc2ccccc21 ZINC000483569147 502434315 /nfs/dbraw/zinc/43/43/15/502434315.db2.gz AWTOSDYJSWJOMH-ZDUSSCGKSA-N -1 3 367.375 3.433 20 0 FGADHM CCCN(C(=O)NCc1n[n-]c(C(F)(F)F)n1)[C@H]1CCc2ccccc21 ZINC000483569147 502434317 /nfs/dbraw/zinc/43/43/17/502434317.db2.gz AWTOSDYJSWJOMH-ZDUSSCGKSA-N -1 3 367.375 3.433 20 0 FGADHM CCCN(C(=O)NCc1nc(C(F)(F)F)n[n-]1)[C@H]1CCc2ccccc21 ZINC000483569147 502434318 /nfs/dbraw/zinc/43/43/18/502434318.db2.gz AWTOSDYJSWJOMH-ZDUSSCGKSA-N -1 3 367.375 3.433 20 0 FGADHM O=S(=O)([N-][C@H]1CC=C(c2ccc(F)cc2)CC1)c1cncc(F)c1 ZINC000479994328 502440240 /nfs/dbraw/zinc/44/02/40/502440240.db2.gz JWYSKAMFHQPACB-INIZCTEOSA-N -1 3 350.390 3.274 20 0 FGADHM O=C(CCCOc1ccc2c(c1)OCO2)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000487491707 502458676 /nfs/dbraw/zinc/45/86/76/502458676.db2.gz MGTKAVNOYFNJBZ-UHFFFAOYSA-N -1 3 365.389 3.025 20 0 FGADHM COc1ccc(OC)c(S(=O)(=O)[N-]c2cncc(Cl)c2Cl)c1 ZINC000480075968 502465981 /nfs/dbraw/zinc/46/59/81/502465981.db2.gz FZZOUKJWDFUVOI-UHFFFAOYSA-N -1 3 363.222 3.206 20 0 FGADHM Cc1ccccc1C[C@@H](C)[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC000462511576 502470859 /nfs/dbraw/zinc/47/08/59/502470859.db2.gz OCSXTCGSRNCYRL-GFCCVEGCSA-N -1 3 369.284 3.062 20 0 FGADHM Cc1nc2ccc(C(=O)NCc3ccc([O-])c(Br)c3)cc2n1C ZINC000476379377 502473523 /nfs/dbraw/zinc/47/35/23/502473523.db2.gz XMKLWSRLVSZVIL-UHFFFAOYSA-N -1 3 374.238 3.280 20 0 FGADHM Cn1cc(-c2csc([N-]C(=O)c3csc(C(F)(F)F)n3)n2)cn1 ZINC000472926887 502473766 /nfs/dbraw/zinc/47/37/66/502473766.db2.gz WONNTIDXXDRRER-UHFFFAOYSA-N -1 3 359.358 3.271 20 0 FGADHM CN(C)c1cc(NC(=O)c2c[n-]nc2-c2cccc(OC(F)F)c2)ccn1 ZINC000480196746 502498685 /nfs/dbraw/zinc/49/86/85/502498685.db2.gz QAMUCTAUGMUQOA-UHFFFAOYSA-N -1 3 373.363 3.391 20 0 FGADHM CCN(CC)S(=O)(=O)[N-]c1cnn(-c2ccc(C)cc2)c1C(C)C ZINC000480198237 502499206 /nfs/dbraw/zinc/49/92/06/502499206.db2.gz MGWFDNZVQIDXGU-UHFFFAOYSA-N -1 3 350.488 3.303 20 0 FGADHM Cc1cccc(F)c1S(=O)(=O)[N-]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC000476518072 502512623 /nfs/dbraw/zinc/51/26/23/502512623.db2.gz YCZYSWYYEVIBRC-UHFFFAOYSA-N -1 3 371.474 3.313 20 0 FGADHM Cn1cc([C@H]([N-]C(=O)c2ccc(F)c(Cl)c2F)C(F)(F)F)cn1 ZINC000487741543 502519247 /nfs/dbraw/zinc/51/92/47/502519247.db2.gz RELYGRWWGXLCFS-NSHDSACASA-N -1 3 353.678 3.385 20 0 FGADHM Cc1cc(=O)[n-]c([C@H](C)N2CCC(CN3CCc4ccccc43)CC2)n1 ZINC000469741508 502527507 /nfs/dbraw/zinc/52/75/07/502527507.db2.gz LURITBDCCZNUJE-INIZCTEOSA-N -1 3 352.482 3.326 20 0 FGADHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2F)C12CCCC2 ZINC000462664378 502528056 /nfs/dbraw/zinc/52/80/56/502528056.db2.gz XAKLQHJFCBFGGO-HUUCEWRRSA-N -1 3 361.866 3.495 20 0 FGADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)Nc1cccc(-c2nccs2)c1 ZINC000480328653 502539158 /nfs/dbraw/zinc/53/91/58/502539158.db2.gz NZNFVIITNFVNNZ-UHFFFAOYSA-N -1 3 368.344 3.269 20 0 FGADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)Nc1cccc(-c2nccs2)c1 ZINC000480328653 502539163 /nfs/dbraw/zinc/53/91/63/502539163.db2.gz NZNFVIITNFVNNZ-UHFFFAOYSA-N -1 3 368.344 3.269 20 0 FGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)Nc1cccc(-c2nccs2)c1 ZINC000480328653 502539168 /nfs/dbraw/zinc/53/91/68/502539168.db2.gz NZNFVIITNFVNNZ-UHFFFAOYSA-N -1 3 368.344 3.269 20 0 FGADHM C[C@@H](C[N-]S(=O)(=O)c1ccc(F)cc1Cl)Oc1ccc(F)cc1 ZINC000462699891 502539221 /nfs/dbraw/zinc/53/92/21/502539221.db2.gz LURZGMCNUHIISL-JTQLQIEISA-N -1 3 361.797 3.364 20 0 FGADHM CC(C)(C)c1cnc(CNC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)o1 ZINC000473205645 502541854 /nfs/dbraw/zinc/54/18/54/502541854.db2.gz KCUVCRYIVCOHDN-UHFFFAOYSA-N -1 3 361.348 3.022 20 0 FGADHM COc1cccc(O[C@@H](C)C[N-]S(=O)(=O)c2cc(F)ccc2Cl)c1 ZINC000462711711 502543828 /nfs/dbraw/zinc/54/38/28/502543828.db2.gz LQEFUFOJWNELIZ-NSHDSACASA-N -1 3 373.833 3.234 20 0 FGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H](C)Oc2cccc(F)c2)c1 ZINC000462714805 502546073 /nfs/dbraw/zinc/54/60/73/502546073.db2.gz IVCJTFXHRAIXOM-NSHDSACASA-N -1 3 373.833 3.234 20 0 FGADHM CO[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1sc(C)cc1Br ZINC000462718387 502548609 /nfs/dbraw/zinc/54/86/09/502548609.db2.gz CNIBGIAUVVPHTJ-MNOVXSKESA-N -1 3 368.318 3.055 20 0 FGADHM C[C@H](O)C[C@H](C[N-]S(=O)(=O)c1cc(F)ccc1Cl)c1ccccc1 ZINC000469804118 502550850 /nfs/dbraw/zinc/55/08/50/502550850.db2.gz JVEWHBUIUKSIAR-GXTWGEPZSA-N -1 3 371.861 3.312 20 0 FGADHM CCOC(=O)c1c(C(C)C)csc1[N-]C(=O)C(=O)N1CC[C@H](C)[C@H]1C ZINC000484039523 502555373 /nfs/dbraw/zinc/55/53/73/502555373.db2.gz HYGWJRUYWMCTIQ-NWDGAFQWSA-N -1 3 366.483 3.244 20 0 FGADHM O=C(C[C@H](c1cccs1)n1cccc1)Nc1nnc(C(F)(F)F)[n-]1 ZINC000473276048 502556776 /nfs/dbraw/zinc/55/67/76/502556776.db2.gz YLUNLHVCBNKMLA-SECBINFHSA-N -1 3 355.345 3.305 20 0 FGADHM O=C(C[C@H](c1cccs1)n1cccc1)Nc1nc(C(F)(F)F)n[n-]1 ZINC000473276048 502556779 /nfs/dbraw/zinc/55/67/79/502556779.db2.gz YLUNLHVCBNKMLA-SECBINFHSA-N -1 3 355.345 3.305 20 0 FGADHM CC(C)(C(=O)NCc1nnc(C(F)(F)F)[n-]1)c1ccc(Cl)cc1F ZINC000476702250 502568456 /nfs/dbraw/zinc/56/84/56/502568456.db2.gz UXQKQHFHCOFEPH-UHFFFAOYSA-N -1 3 364.730 3.210 20 0 FGADHM CC(C)(C(=O)NCc1n[n-]c(C(F)(F)F)n1)c1ccc(Cl)cc1F ZINC000476702250 502568458 /nfs/dbraw/zinc/56/84/58/502568458.db2.gz UXQKQHFHCOFEPH-UHFFFAOYSA-N -1 3 364.730 3.210 20 0 FGADHM CC(C)(C(=O)NCc1nc(C(F)(F)F)n[n-]1)c1ccc(Cl)cc1F ZINC000476702250 502568461 /nfs/dbraw/zinc/56/84/61/502568461.db2.gz UXQKQHFHCOFEPH-UHFFFAOYSA-N -1 3 364.730 3.210 20 0 FGADHM Cc1nn(-c2ccccc2)c(C)c1CC(=O)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000480435332 502569180 /nfs/dbraw/zinc/56/91/80/502569180.db2.gz QEVBWVMYIWULQW-UHFFFAOYSA-N -1 3 371.444 3.482 20 0 FGADHM Fc1cc(Br)cc([C@H](N=c2ncnc3[nH][n-]cc2-3)C2CC2)c1 ZINC000480505700 502586153 /nfs/dbraw/zinc/58/61/53/502586153.db2.gz JHZPCXYDEYGZNG-CYBMUJFWSA-N -1 3 362.206 3.191 20 0 FGADHM O=C(N=c1ccc(C(F)(F)F)n[n-]1)c1ccc(CN2CCCCC2)cc1 ZINC000484174152 502592913 /nfs/dbraw/zinc/59/29/13/502592913.db2.gz YLZIBNFEQXPBJR-UHFFFAOYSA-N -1 3 364.371 3.156 20 0 FGADHM C[C@@]1(C[N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)CCO[C@@H]1C1CC1 ZINC000466573473 502612428 /nfs/dbraw/zinc/61/24/28/502612428.db2.gz MDBMGTBHMAPGLI-CABCVRRESA-N -1 3 364.294 3.477 20 0 FGADHM CCc1ncc(S(=O)(=O)[N-][C@@H](CCCOC)Cc2ccccc2)s1 ZINC000480591921 502613334 /nfs/dbraw/zinc/61/33/34/502613334.db2.gz YBBVRZGKVJHHGZ-HNNXBMFYSA-N -1 3 368.524 3.022 20 0 FGADHM COc1cc(C(=O)NCc2ccccc2OCC(C)C)cc(OC)c1[O-] ZINC000484318816 502624070 /nfs/dbraw/zinc/62/40/70/502624070.db2.gz MNPONVJNROVCDD-UHFFFAOYSA-N -1 3 359.422 3.374 20 0 FGADHM CCN(CC)[C@H](CNC(=O)c1csc(=NC2CC2)[n-]1)c1ccsc1 ZINC000476932588 502625624 /nfs/dbraw/zinc/62/56/24/502625624.db2.gz 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/nfs/dbraw/zinc/35/57/39/503355739.db2.gz OYHMVAZBTSSLFJ-UHFFFAOYSA-N -1 3 366.318 3.478 20 0 FGADHM O=C(NCCCc1cccc(C(F)(F)F)c1)c1cc(F)cc2[n-]nnc21 ZINC000503150918 503355742 /nfs/dbraw/zinc/35/57/42/503355742.db2.gz OYHMVAZBTSSLFJ-UHFFFAOYSA-N -1 3 366.318 3.478 20 0 FGADHM O=C(NCCCc1cccc(C(F)(F)F)c1)c1cc(F)cc2n[n-]nc21 ZINC000503150918 503355743 /nfs/dbraw/zinc/35/57/43/503355743.db2.gz OYHMVAZBTSSLFJ-UHFFFAOYSA-N -1 3 366.318 3.478 20 0 FGADHM COCCC1(C)CN(C(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)C1 ZINC000515529612 503359204 /nfs/dbraw/zinc/35/92/04/503359204.db2.gz ZXZWZKICUVDPRU-UHFFFAOYSA-N -1 3 356.426 3.048 20 0 FGADHM CCc1cc(=O)[n-]c(CN(Cc2ccc(OC)cc2OC)CC2CC2)n1 ZINC000503216921 503369596 /nfs/dbraw/zinc/36/95/96/503369596.db2.gz MWWJOUUVYYQSAI-UHFFFAOYSA-N -1 3 357.454 3.174 20 0 FGADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCC(C)(C)C2)cc1Cl ZINC000507873183 503385017 /nfs/dbraw/zinc/38/50/17/503385017.db2.gz MNRGSRDJYLGXDM-SNVBAGLBSA-N -1 3 362.854 3.295 20 0 FGADHM Cc1nc(CC2CC2)sc1C(=O)[N-]c1nnc(C2CCOCC2)s1 ZINC000515696779 503386405 /nfs/dbraw/zinc/38/64/05/503386405.db2.gz ZIICHJIFVVSILH-UHFFFAOYSA-N -1 3 364.496 3.402 20 0 FGADHM O=C(CC1CCCCC1)N1CCN(Cc2c(F)ccc([O-])c2F)CC1 ZINC000508010804 503412709 /nfs/dbraw/zinc/41/27/09/503412709.db2.gz ZLMHQNOAKXYCFF-UHFFFAOYSA-N -1 3 352.425 3.285 20 0 FGADHM CC(C)COC[C@H]([N-]S(=O)(=O)N(C)C1CCCCC1)c1ccco1 ZINC000508013447 503413475 /nfs/dbraw/zinc/41/34/75/503413475.db2.gz DILXMKMSKOARGU-INIZCTEOSA-N -1 3 358.504 3.092 20 0 FGADHM CSCc1cccnc1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000582696234 506370043 /nfs/dbraw/zinc/37/00/43/506370043.db2.gz ZMOLPOAIASJZFE-UHFFFAOYSA-N -1 3 367.268 3.343 20 0 FGADHM CCCCC[N-]S(=O)(=O)c1cc(F)c(Br)cc1OC ZINC000503481550 503418142 /nfs/dbraw/zinc/41/81/42/503418142.db2.gz AENCLQBXDMONEQ-UHFFFAOYSA-N -1 3 354.241 3.065 20 0 FGADHM O=C(Nc1ccccc1OCc1cscn1)c1cc(F)cc2[n-]nnc21 ZINC000503487514 503419336 /nfs/dbraw/zinc/41/93/36/503419336.db2.gz NLCJSMIBRFKIKE-UHFFFAOYSA-N -1 3 369.381 3.385 20 0 FGADHM O=C(Nc1ccccc1OCc1cscn1)c1cc(F)cc2nn[n-]c21 ZINC000503487514 503419342 /nfs/dbraw/zinc/41/93/42/503419342.db2.gz NLCJSMIBRFKIKE-UHFFFAOYSA-N -1 3 369.381 3.385 20 0 FGADHM O=C(Nc1ccccc1OCc1cscn1)c1cc(F)cc2n[n-]nc21 ZINC000503487514 503419343 /nfs/dbraw/zinc/41/93/43/503419343.db2.gz NLCJSMIBRFKIKE-UHFFFAOYSA-N -1 3 369.381 3.385 20 0 FGADHM COc1ccc(OCC(=O)N=c2cc(-c3cc(C)c(C)cc3C)[n-][nH]2)cc1 ZINC000515984080 503427897 /nfs/dbraw/zinc/42/78/97/503427897.db2.gz QSHRHYWYMWIFBC-UHFFFAOYSA-N -1 3 365.433 3.450 20 0 FGADHM COc1cc(C(=O)Nc2cnn(-c3ccccc3)c2C)cc(OC)c1[O-] ZINC000493504785 503430257 /nfs/dbraw/zinc/43/02/57/503430257.db2.gz LODCLYFROCJQND-UHFFFAOYSA-N -1 3 353.378 3.156 20 0 FGADHM O=C1CCCN1[C@@H]1CCC[C@H](NCc2cccc([O-])c2Br)C1 ZINC000516089250 503443526 /nfs/dbraw/zinc/44/35/26/503443526.db2.gz QAOLYYISGWUATP-UONOGXRCSA-N -1 3 367.287 3.178 20 0 FGADHM O=C(Nc1cc(Cl)ccc1N1CCSCC1)c1ccc2n[n-]nc2c1 ZINC000503651487 503451846 /nfs/dbraw/zinc/45/18/46/503451846.db2.gz UYECXMIQBJKVCO-UHFFFAOYSA-N -1 3 373.869 3.417 20 0 FGADHM O=S(=O)([N-]Cc1cc(Cl)sc1Cl)c1cn2c(n1)CCCC2 ZINC000503705123 503463763 /nfs/dbraw/zinc/46/37/63/503463763.db2.gz QLFLYWCYWLSDIH-UHFFFAOYSA-N -1 3 366.295 3.066 20 0 FGADHM COCC[C@@H]([N-]S(=O)(=O)c1cccc2cc(C)cnc21)c1ccco1 ZINC000503832044 503476410 /nfs/dbraw/zinc/47/64/10/503476410.db2.gz QOYDZUWWLXNIRQ-OAHLLOKOSA-N -1 3 360.435 3.192 20 0 FGADHM COc1cc(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)cc(Cl)c1[O-] ZINC000494046048 503478922 /nfs/dbraw/zinc/47/89/22/503478922.db2.gz DDNGPAJFOTWEJO-GUYCJALGSA-N -1 3 374.868 3.447 20 0 FGADHM COC(=O)CC[C@@H](Cc1ccccc1)NC(=O)c1cc([O-])ccc1Cl ZINC000494070992 503482639 /nfs/dbraw/zinc/48/26/39/503482639.db2.gz DLHGEBPZRCJPSC-AWEZNQCLSA-N -1 3 361.825 3.340 20 0 FGADHM CCOc1ccccc1N1CCN(C(=O)Cc2ccc([O-])cc2Cl)CC1 ZINC000508527786 503513740 /nfs/dbraw/zinc/51/37/40/503513740.db2.gz NGYGUUXHLBMICR-UHFFFAOYSA-N -1 3 374.868 3.336 20 0 FGADHM Cc1cn(-c2ccccc2)nc1[N-]C(=O)c1noc(-c2cccc(F)c2)n1 ZINC000608013547 506376286 /nfs/dbraw/zinc/37/62/86/506376286.db2.gz SLWMCYYCDFPEEF-UHFFFAOYSA-N -1 3 363.352 3.044 20 0 FGADHM Cc1ccccc1-c1cc(=NC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)[nH][n-]1 ZINC000512320921 503518963 /nfs/dbraw/zinc/51/89/63/503518963.db2.gz HFJNRJMUPMWQRW-KRWDZBQOSA-N -1 3 353.809 3.403 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCCC(C)(C)C2CC2)c1 ZINC000516506148 503522980 /nfs/dbraw/zinc/52/29/80/503522980.db2.gz YCFBINHJUAMDNX-UHFFFAOYSA-N -1 3 371.437 3.497 20 0 FGADHM COc1cc(F)ccc1N1CCN(Cc2c(F)ccc([O-])c2F)CC1 ZINC000508585989 503524624 /nfs/dbraw/zinc/52/46/24/503524624.db2.gz FXJVHAMRXBYSKU-UHFFFAOYSA-N -1 3 352.356 3.140 20 0 FGADHM O=S(=O)([N-]Cc1ccc(Cl)o1)c1ccc(Br)c(F)c1 ZINC000608018673 506377367 /nfs/dbraw/zinc/37/73/67/506377367.db2.gz LMDBWSBZVYGKLH-UHFFFAOYSA-N -1 3 368.611 3.313 20 0 FGADHM O=C(NCCc1ccc(Cl)cc1Cl)c1cc(F)cc2nn[n-]c21 ZINC000500006780 503532503 /nfs/dbraw/zinc/53/25/03/503532503.db2.gz GONHIOOQVLWOSD-UHFFFAOYSA-N -1 3 353.184 3.376 20 0 FGADHM O=C(NCCc1ccc(Cl)cc1Cl)c1cc(F)cc2[n-]nnc21 ZINC000500006780 503532505 /nfs/dbraw/zinc/53/25/05/503532505.db2.gz GONHIOOQVLWOSD-UHFFFAOYSA-N -1 3 353.184 3.376 20 0 FGADHM O=C(NCCc1ccc(Cl)cc1Cl)c1cc(F)cc2n[n-]nc21 ZINC000500006780 503532509 /nfs/dbraw/zinc/53/25/09/503532509.db2.gz GONHIOOQVLWOSD-UHFFFAOYSA-N -1 3 353.184 3.376 20 0 FGADHM CCCN(C(=O)c1ccc2n[n-]nc2c1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000504179860 503535548 /nfs/dbraw/zinc/53/55/48/503535548.db2.gz ZIFVQVGJDCAXGZ-AWEZNQCLSA-N -1 3 365.437 3.227 20 0 FGADHM COC(=O)c1csc(S(=O)(=O)[N-]Cc2ccc(C3CCC3)cc2)c1 ZINC000494413888 503538034 /nfs/dbraw/zinc/53/80/34/503538034.db2.gz UWWLZERYCWUHKP-UHFFFAOYSA-N -1 3 365.476 3.281 20 0 FGADHM COc1cc(C(=O)N2CCOC[C@H]2c2nc3ccccc3s2)ccc1[O-] ZINC000504211176 503539617 /nfs/dbraw/zinc/53/96/17/503539617.db2.gz FQMIFUKEMTZJNB-AWEZNQCLSA-N -1 3 370.430 3.224 20 0 FGADHM O=S(=O)(Cc1c(Cl)cccc1Cl)[N-][C@@H]1COc2ccccc2C1 ZINC000500050210 503541454 /nfs/dbraw/zinc/54/14/54/503541454.db2.gz PFRVIZUNJLGARL-LBPRGKRZSA-N -1 3 372.273 3.417 20 0 FGADHM CCN(C(=O)CC[N-]S(=O)(=O)c1cccs1)c1cccc(C)c1C ZINC000516646148 503559551 /nfs/dbraw/zinc/55/95/51/503559551.db2.gz KSKBFEZMFLETKZ-UHFFFAOYSA-N -1 3 366.508 3.086 20 0 FGADHM CC(C)(C(=O)Nc1ccc([O-])cc1F)S(=O)(=O)c1ccc(Cl)cc1 ZINC000504349897 503561395 /nfs/dbraw/zinc/56/13/95/503561395.db2.gz NSBHFUSUKHTHKM-UHFFFAOYSA-N -1 3 371.817 3.376 20 0 FGADHM Cc1cc(-c2nc3cc(F)ccc3n2C)ccc1NC(=O)c1nc[n-]n1 ZINC000512516057 503574485 /nfs/dbraw/zinc/57/44/85/503574485.db2.gz ZBUBRMAFXJHTTF-UHFFFAOYSA-N -1 3 350.357 3.058 20 0 FGADHM O=c1[n-]c(CN2CCC[C@H](OCC3CC3)C2)nc2c3ccccc3oc21 ZINC000494656278 503585621 /nfs/dbraw/zinc/58/56/21/503585621.db2.gz VBHJFJTWMLMLFQ-AWEZNQCLSA-N -1 3 353.422 3.473 20 0 FGADHM CCCCNS(=O)(=O)c1ccc(C)c(NCc2nc(C)ccc2[O-])c1 ZINC000512613139 503595844 /nfs/dbraw/zinc/59/58/44/503595844.db2.gz JXFLSDUAYZRPBD-UHFFFAOYSA-N -1 3 363.483 3.095 20 0 FGADHM CCCCNS(=O)(=O)c1cccc(NCc2cc([O-])cc(F)c2)c1 ZINC000512644746 503602630 /nfs/dbraw/zinc/60/26/30/503602630.db2.gz UHCPPSOSKMRQKQ-UHFFFAOYSA-N -1 3 352.431 3.222 20 0 FGADHM Cc1cccc2c(=O)c(C(=O)N3CCC[C@@H]3[C@@H]3C[C@H](C)CC[C@@H]3O)c[n-]c12 ZINC000500324493 503602826 /nfs/dbraw/zinc/60/28/26/503602826.db2.gz RXITXWQTIIQFJV-HQJJXPTPSA-N -1 3 368.477 3.238 20 0 FGADHM Cc1sc2ncn(CC(=O)Nc3c([O-])cccc3Cl)c(=O)c2c1C ZINC000516883432 503608178 /nfs/dbraw/zinc/60/81/78/503608178.db2.gz DQEAAJLXEZTXFS-UHFFFAOYSA-N -1 3 363.826 3.073 20 0 FGADHM O=S(=O)([N-]Cc1cscn1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000500423380 503621984 /nfs/dbraw/zinc/62/19/84/503621984.db2.gz SJFTZOPYSKCAKH-UHFFFAOYSA-N -1 3 371.896 3.399 20 0 FGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)c2ccccc2)c(Cl)c1 ZINC000500433081 503623188 /nfs/dbraw/zinc/62/31/88/503623188.db2.gz NEJWIZSJLLJXCL-NSHDSACASA-N -1 3 353.827 3.166 20 0 FGADHM COC(=O)c1nc[n-]c1NC(=O)[C@@H]1CC[C@@H]1c1ccc(Cl)cc1F ZINC000516935304 503623990 /nfs/dbraw/zinc/62/39/90/503623990.db2.gz SAWSXUSOWRMVKS-MWLCHTKSSA-N -1 3 351.765 3.121 20 0 FGADHM COC(=O)c1[n-]cnc1NC(=O)[C@@H]1CC[C@@H]1c1ccc(Cl)cc1F ZINC000516935304 503623994 /nfs/dbraw/zinc/62/39/94/503623994.db2.gz SAWSXUSOWRMVKS-MWLCHTKSSA-N -1 3 351.765 3.121 20 0 FGADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]C[C@H](C)Cc2cccs2)c(F)c1 ZINC000608030610 506382749 /nfs/dbraw/zinc/38/27/49/506382749.db2.gz YPYHKMLNWDEHRB-LLVKDONJSA-N -1 3 370.471 3.003 20 0 FGADHM CCCC[C@@H](C(=O)[O-])N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000516975982 503636365 /nfs/dbraw/zinc/63/63/65/503636365.db2.gz QFNNHBSREBYGNO-GJZGRUSLSA-N -1 3 356.260 3.466 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]Cc2ccccc2COC(C)C)c(F)c1 ZINC000517004899 503641576 /nfs/dbraw/zinc/64/15/76/503641576.db2.gz NBSKATQRXPYVDX-UHFFFAOYSA-N -1 3 367.442 3.238 20 0 FGADHM COc1ccc(CN[C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)c(Br)c1[O-] ZINC000546176238 503657568 /nfs/dbraw/zinc/65/75/68/503657568.db2.gz ACCMLWTZZZUNKJ-LYRGGWFBSA-N -1 3 370.287 3.457 20 0 FGADHM OCc1nc(S[C@@H](c2nc(-c3ccccc3)no2)c2ccccc2)n[n-]1 ZINC000527060109 503663704 /nfs/dbraw/zinc/66/37/04/503663704.db2.gz GUHWHGLDBCZEBY-OAHLLOKOSA-N -1 3 365.418 3.229 20 0 FGADHM Cc1ccc(C2(c3nc(-c4ccc5n[n-]nc5c4)no3)CCOCC2)cc1 ZINC000517211037 503675647 /nfs/dbraw/zinc/67/56/47/503675647.db2.gz SXMUPTHUYDHTSK-UHFFFAOYSA-N -1 3 361.405 3.413 20 0 FGADHM O=C(CNC(=O)c1cccc([O-])c1)N(CCc1ccccc1)c1ccccc1 ZINC000495127297 503676467 /nfs/dbraw/zinc/67/64/67/503676467.db2.gz INHWYIKGLYPGSB-UHFFFAOYSA-N -1 3 374.440 3.398 20 0 FGADHM CC(C)C[C@@H](C)Cc1nc(-c2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)no1 ZINC000546240511 503683629 /nfs/dbraw/zinc/68/36/29/503683629.db2.gz QSAWRECJBNJIOU-CWTRNNRKSA-N -1 3 356.426 3.016 20 0 FGADHM CCN=c1[n-]c(C(=O)N2C[C@H](c3cccc(OC)c3)C(C)(C)C2)cs1 ZINC000529730667 503686882 /nfs/dbraw/zinc/68/68/82/503686882.db2.gz MWDLTBSIPYFURK-OAHLLOKOSA-N -1 3 359.495 3.271 20 0 FGADHM COc1cc(CNCc2cnc(C)[n-]c2=O)c(-c2ccccc2)cc1OC ZINC000543237202 503691505 /nfs/dbraw/zinc/69/15/05/503691505.db2.gz UKDOOOJVMMWHRB-UHFFFAOYSA-N -1 3 365.433 3.465 20 0 FGADHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCO3)c(CN(C)C)c1 ZINC000536766871 503716934 /nfs/dbraw/zinc/71/69/34/503716934.db2.gz JWALUCZITXVXBJ-UHFFFAOYSA-N -1 3 360.479 3.182 20 0 FGADHM CC(C)[C@@H](Oc1cccc(Cl)c1)C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000527208654 503720794 /nfs/dbraw/zinc/72/07/94/503720794.db2.gz CAVVHWWVEVYELB-NVXWUHKLSA-N -1 3 363.845 3.379 20 0 FGADHM C[C@]1(c2cccc(-c3noc(-c4ccc(Cl)cc4)n3)c2)NC(=O)[N-]C1=O ZINC000546366638 503725769 /nfs/dbraw/zinc/72/57/69/503725769.db2.gz ILRSRRWPKXFHOU-GOSISDBHSA-N -1 3 368.780 3.112 20 0 FGADHM CCC1(C(=O)Nc2nc(C)ccc2[O-])CCN(C(=O)c2ccccc2)CC1 ZINC000543374471 503744205 /nfs/dbraw/zinc/74/42/05/503744205.db2.gz ZINBVJFFGNQICT-UHFFFAOYSA-N -1 3 367.449 3.367 20 0 FGADHM Cc1ncc(S(=O)(=O)[N-]Cc2ccnc(OC3CCCCC3)c2)s1 ZINC000533176533 503750670 /nfs/dbraw/zinc/75/06/70/503750670.db2.gz KSSNDFZAKARZAE-UHFFFAOYSA-N -1 3 367.496 3.037 20 0 FGADHM COc1cc(C(=O)Nc2nc(C)ccc2[O-])ccc1OCc1cscn1 ZINC000543392774 503751598 /nfs/dbraw/zinc/75/15/98/503751598.db2.gz ZUDCMIZEKIIGOF-UHFFFAOYSA-N -1 3 371.418 3.392 20 0 FGADHM O=C(Cc1ccc([O-])c(F)c1)N1CCC[C@@]2(CCc3ccccc3O2)C1 ZINC000529906249 503751651 /nfs/dbraw/zinc/75/16/51/503751651.db2.gz XVAXEQUBVGQPOZ-OAQYLSRUSA-N -1 3 355.409 3.460 20 0 FGADHM C[C@@]1(c2ccc(OC(F)(F)F)cc2)[N-]C(=O)N(CCC(F)(F)F)C1=O ZINC000533195084 503756357 /nfs/dbraw/zinc/75/63/57/503756357.db2.gz XQZIHLUBFVABNA-LBPRGKRZSA-N -1 3 370.249 3.305 20 0 FGADHM Cc1cc2c(ncnc2N2CCC[C@@H]2C(=O)Nc2cc(F)ccc2[O-])s1 ZINC000533222229 503765791 /nfs/dbraw/zinc/76/57/91/503765791.db2.gz GZKPZPGLRLGZBN-CQSZACIVSA-N -1 3 372.425 3.452 20 0 FGADHM CSc1cccc(NC(=O)CCn2[n-]c(=O)c3ccccc3c2=O)c1C ZINC000540443926 503773224 /nfs/dbraw/zinc/77/32/24/503773224.db2.gz BANDKRQRFLRCFG-UHFFFAOYSA-N -1 3 369.446 3.161 20 0 FGADHM CO[C@H](C)c1nc(C[N-]S(=O)(=O)c2cccc(C)c2Cl)cs1 ZINC000540485784 503786296 /nfs/dbraw/zinc/78/62/96/503786296.db2.gz PVHVFPDTQOVTKX-SNVBAGLBSA-N -1 3 360.888 3.291 20 0 FGADHM CN(CCC[N-]S(=O)(=O)c1ccc(F)cc1Cl)c1ccccc1F ZINC000517618631 503787833 /nfs/dbraw/zinc/78/78/33/503787833.db2.gz IFZOPHBSVCWCIH-UHFFFAOYSA-N -1 3 374.840 3.423 20 0 FGADHM Cc1ccc(F)cc1-c1nnc(NC(=O)c2cccc3nn[n-]c32)s1 ZINC000527475671 503801307 /nfs/dbraw/zinc/80/13/07/503801307.db2.gz ANVPTYIAPUBEQY-UHFFFAOYSA-N -1 3 354.370 3.176 20 0 FGADHM Cc1ccc(F)cc1-c1nnc(NC(=O)c2cccc3[n-]nnc32)s1 ZINC000527475671 503801311 /nfs/dbraw/zinc/80/13/11/503801311.db2.gz ANVPTYIAPUBEQY-UHFFFAOYSA-N -1 3 354.370 3.176 20 0 FGADHM Cc1ccc(F)cc1-c1nnc(NC(=O)c2cccc3n[n-]nc32)s1 ZINC000527475671 503801314 /nfs/dbraw/zinc/80/13/14/503801314.db2.gz ANVPTYIAPUBEQY-UHFFFAOYSA-N -1 3 354.370 3.176 20 0 FGADHM Cc1ccccc1-c1cc(=NC(=O)[C@@H]2CCCN2C(=O)CC(C)(C)C)[nH][n-]1 ZINC000537120733 503809568 /nfs/dbraw/zinc/80/95/68/503809568.db2.gz FPOCLKJSQHAGAF-KRWDZBQOSA-N -1 3 368.481 3.173 20 0 FGADHM COc1ccc(-c2nc(C(=O)N=c3cc([C@H]4CCCO4)[n-][nH]3)cs2)cc1 ZINC000527500558 503813238 /nfs/dbraw/zinc/81/32/38/503813238.db2.gz ZIKLXBDDBLRHTD-OAHLLOKOSA-N -1 3 370.434 3.068 20 0 FGADHM CCc1cccc(C(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)c1[O-] ZINC000527499577 503813747 /nfs/dbraw/zinc/81/37/47/503813747.db2.gz LHERSBJETWFDTK-UHFFFAOYSA-N -1 3 370.415 3.490 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1ccc(Br)c(Cl)c1)c1ccon1 ZINC000537172073 503826867 /nfs/dbraw/zinc/82/68/67/503826867.db2.gz VFPBRIVXROKSTN-ZETCQYMHSA-N -1 3 365.636 3.130 20 0 FGADHM CC(=O)c1cccc(NC(=O)CCc2nnc(-c3ccsc3)o2)c1[O-] ZINC000517766412 503831639 /nfs/dbraw/zinc/83/16/39/503831639.db2.gz RSHBMKPEQWHDLL-UHFFFAOYSA-N -1 3 357.391 3.278 20 0 FGADHM CCOC(=O)c1[n-]c(C)nc1NC(=O)[C@@H](C)CSCc1ccccc1 ZINC000533441942 503847270 /nfs/dbraw/zinc/84/72/70/503847270.db2.gz NTKYOEDRACVCBW-LBPRGKRZSA-N -1 3 361.467 3.403 20 0 FGADHM CCOC(=O)c1nc(C)[n-]c1NC(=O)[C@@H](C)CSCc1ccccc1 ZINC000533441942 503847273 /nfs/dbraw/zinc/84/72/73/503847273.db2.gz NTKYOEDRACVCBW-LBPRGKRZSA-N -1 3 361.467 3.403 20 0 FGADHM Cc1nc([N-]C(=O)c2noc3c2COCC3)sc1Cc1ccc(F)cc1 ZINC000527597467 503848659 /nfs/dbraw/zinc/84/86/59/503848659.db2.gz GXSUSCVPSYVAPO-UHFFFAOYSA-N -1 3 373.409 3.494 20 0 FGADHM CO[C@H](CS(=O)(=O)[N-]c1cncc(Cl)c1C)c1ccc(F)cc1 ZINC000530139221 503851543 /nfs/dbraw/zinc/85/15/43/503851543.db2.gz XAYPLQVDIHTDDR-OAHLLOKOSA-N -1 3 358.822 3.312 20 0 FGADHM Cc1cccc(S(=O)(=O)[N-][C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)c1F ZINC000543687105 503852338 /nfs/dbraw/zinc/85/23/38/503852338.db2.gz KMCCVTMDBBPUJX-HZPDHXFCSA-N -1 3 367.417 3.472 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)CCOc3cc(C)ccc3C)[n-]c21 ZINC000533463588 503854399 /nfs/dbraw/zinc/85/43/99/503854399.db2.gz OKQKOBBQCSYEEW-UHFFFAOYSA-N -1 3 367.405 3.374 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)CCOc3cc(C)ccc3C)nc21 ZINC000533463588 503854404 /nfs/dbraw/zinc/85/44/04/503854404.db2.gz OKQKOBBQCSYEEW-UHFFFAOYSA-N -1 3 367.405 3.374 20 0 FGADHM COC(=O)[C@H](Cc1ccc(Cl)cc1)Sc1n[n-]c(-c2ccccn2)n1 ZINC000543693084 503854348 /nfs/dbraw/zinc/85/43/48/503854348.db2.gz YTISNGYZFXOKEE-AWEZNQCLSA-N -1 3 374.853 3.397 20 0 FGADHM O=C([O-])C[C@@H](NC(=O)C1CCN(Cc2ccccc2)CC1)C1CCCCC1 ZINC000540715196 503867346 /nfs/dbraw/zinc/86/73/46/503867346.db2.gz XYLWUQURJOMWTQ-HXUWFJFHSA-N -1 3 372.509 3.438 20 0 FGADHM O=C([N-]c1nncn1-c1ccccc1)c1csc(-c2ncccc2F)n1 ZINC000537311616 503876484 /nfs/dbraw/zinc/87/64/84/503876484.db2.gz PCIUUYGYLINTHM-UHFFFAOYSA-N -1 3 366.381 3.177 20 0 FGADHM CCc1[n-][nH]c(=NC(=O)c2cc(OC(F)F)cc(OC(F)F)c2)c1C ZINC000537327748 503879444 /nfs/dbraw/zinc/87/94/44/503879444.db2.gz QCOSMTIQDGBGSO-UHFFFAOYSA-N -1 3 361.295 3.158 20 0 FGADHM C[C@@H](CCC(=O)Nc1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1)c1ccccc1 ZINC000533541042 503882031 /nfs/dbraw/zinc/88/20/31/503882031.db2.gz OIDCZFDGGQXUCZ-LHSJRXKWSA-N -1 3 365.433 3.264 20 0 FGADHM NC(=O)c1ccc([N-]C(=O)c2coc(-c3ccccc3Cl)n2)c(F)c1 ZINC000537358066 503888858 /nfs/dbraw/zinc/88/88/58/503888858.db2.gz PSGBQXXJPOISRY-UHFFFAOYSA-N -1 3 359.744 3.485 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CCCOc3cc(F)ccc32)c1 ZINC000540794444 503895239 /nfs/dbraw/zinc/89/52/39/503895239.db2.gz NPQSNUIXSRUHNI-MRXNPFEDSA-N -1 3 358.369 3.133 20 0 FGADHM Cc1cccc(S(=O)(=O)[N-]CCCc2nc3c(s2)CCCC3)c1F ZINC000543792755 503895294 /nfs/dbraw/zinc/89/52/94/503895294.db2.gz VSCBNTZFBITVOR-UHFFFAOYSA-N -1 3 368.499 3.381 20 0 FGADHM Cc1cccc(S(=O)(=O)[N-]Cc2ccnc(OC3CCCC3)c2)c1F ZINC000543802019 503898406 /nfs/dbraw/zinc/89/84/06/503898406.db2.gz XUWNOMGPWDGXKA-UHFFFAOYSA-N -1 3 364.442 3.329 20 0 FGADHM CCCc1ccc(-c2cc(=NC(=O)Cn3ccc(C(F)F)n3)[nH][n-]2)cc1 ZINC000530262764 503901160 /nfs/dbraw/zinc/90/11/60/503901160.db2.gz ZPDUVZSQCWBXBY-UHFFFAOYSA-N -1 3 359.380 3.224 20 0 FGADHM COc1cc(NC(=O)CCc2c(C)nc(C)[n-]c2=O)c2ccccc2c1O ZINC000530267071 503902863 /nfs/dbraw/zinc/90/28/63/503902863.db2.gz WFIDHWJXWOITBT-UHFFFAOYSA-N -1 3 367.405 3.238 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)c2ccc(N3CCCC3)nc2)c1-c1ccccc1F ZINC000530277165 503905164 /nfs/dbraw/zinc/90/51/64/503905164.db2.gz ZEDJZGLQTWNINA-UHFFFAOYSA-N -1 3 365.412 3.194 20 0 FGADHM Cc1ncc(S(=O)(=O)[N-]CCc2nc3cc(Cl)ccc3s2)s1 ZINC000533631584 503906798 /nfs/dbraw/zinc/90/67/98/503906798.db2.gz QQWXTESBJRUHOI-UHFFFAOYSA-N -1 3 373.912 3.236 20 0 FGADHM CC1(C)C[C@@H]([N-]S(=O)(=O)c2cncc(Cl)c2)c2ccc(F)cc2O1 ZINC000533632258 503907470 /nfs/dbraw/zinc/90/74/70/503907470.db2.gz CHFGUPMUCDQHKX-CQSZACIVSA-N -1 3 370.833 3.455 20 0 FGADHM O=S(=O)([N-]Cc1ccc(C(F)(F)F)cc1)c1cncc(Cl)c1 ZINC000533631828 503907619 /nfs/dbraw/zinc/90/76/19/503907619.db2.gz DTJUBKWQSDNNIT-UHFFFAOYSA-N -1 3 350.749 3.232 20 0 FGADHM Cc1ccc(F)c(S(=O)(=O)[N-][C@H]2CCCOc3cc(F)ccc32)c1 ZINC000537436191 503915890 /nfs/dbraw/zinc/91/58/90/503915890.db2.gz ZLICTJXEIUOOGU-HNNXBMFYSA-N -1 3 353.390 3.465 20 0 FGADHM C[C@]1(c2ccc(-c3noc([C@H]4CC45CCCCC5)n3)cc2)NC(=O)[N-]C1=O ZINC000546942275 503934305 /nfs/dbraw/zinc/93/43/05/503934305.db2.gz FSCSTPCSBWFIQR-AUUYWEPGSA-N -1 3 366.421 3.229 20 0 FGADHM CC(C)(C)CCCNC(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000540913435 503936665 /nfs/dbraw/zinc/93/66/65/503936665.db2.gz CZUHZFDXYSWVET-UHFFFAOYSA-N -1 3 371.478 3.214 20 0 FGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)[C@H]1CC[C@@H]1c1ccc(F)cc1 ZINC000527794903 503947531 /nfs/dbraw/zinc/94/75/31/503947531.db2.gz ASMMHIBNZNKJPG-CABCVRRESA-N -1 3 362.426 3.330 20 0 FGADHM O=c1cc(C(F)(F)F)nc(C[S@@](=O)Cc2cc3ccccc3o2)[n-]1 ZINC000533788787 503951557 /nfs/dbraw/zinc/95/15/57/503951557.db2.gz OSVWHIFMAROZTG-DEOSSOPVSA-N -1 3 356.325 3.396 20 0 FGADHM O=S(=O)([N-][C@@H](CO)CC(F)(F)F)c1cc2cc(Cl)ccc2s1 ZINC000533803696 503955648 /nfs/dbraw/zinc/95/56/48/503955648.db2.gz YLPSLENHOLFWFD-SECBINFHSA-N -1 3 373.805 3.146 20 0 FGADHM C[C@H](CCc1ccc(Br)cc1)NC(=O)c1cccc2nn[n-]c21 ZINC000540963147 503957227 /nfs/dbraw/zinc/95/72/27/503957227.db2.gz NKDUDCZBCBCHOF-LLVKDONJSA-N -1 3 373.254 3.472 20 0 FGADHM C[C@H](CCc1ccc(Br)cc1)NC(=O)c1cccc2[n-]nnc21 ZINC000540963147 503957229 /nfs/dbraw/zinc/95/72/29/503957229.db2.gz NKDUDCZBCBCHOF-LLVKDONJSA-N -1 3 373.254 3.472 20 0 FGADHM C[C@H](CCc1ccc(Br)cc1)NC(=O)c1cccc2n[n-]nc21 ZINC000540963147 503957231 /nfs/dbraw/zinc/95/72/31/503957231.db2.gz NKDUDCZBCBCHOF-LLVKDONJSA-N -1 3 373.254 3.472 20 0 FGADHM Cc1cc2ncc(-c3nc(=O)c4c5c(sc4[n-]3)SCCC5)cn2n1 ZINC000518347548 503958944 /nfs/dbraw/zinc/95/89/44/503958944.db2.gz XIXFFBOBDOQJFL-UHFFFAOYSA-N -1 3 355.448 3.453 20 0 FGADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)C[C@H]2CCC(=O)[C@H]2C)[nH][n-]1 ZINC000530421688 503959123 /nfs/dbraw/zinc/95/91/23/503959123.db2.gz IXWASPANLLFNDP-WDEREUQCSA-N -1 3 361.829 3.104 20 0 FGADHM CS(=O)(=O)[N-]c1cc(-c2nc(C3Cc4ccccc4C3)no2)ccc1F ZINC000547083587 503978063 /nfs/dbraw/zinc/97/80/63/503978063.db2.gz OYVXGTAPKAVVFE-UHFFFAOYSA-N -1 3 373.409 3.130 20 0 FGADHM O=S(=O)([N-]CCN[C@@H]1CCc2cc(F)c(Cl)cc21)c1cccs1 ZINC000527867233 503979542 /nfs/dbraw/zinc/97/95/42/503979542.db2.gz ATESERJTKOGFRK-CQSZACIVSA-N -1 3 374.890 3.096 20 0 FGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2c3ccccc3C[C@@H]2O)c1Cl ZINC000533883867 503979738 /nfs/dbraw/zinc/97/97/38/503979738.db2.gz FHIYWVBIKXHJDO-DZGCQCFKSA-N -1 3 372.273 3.238 20 0 FGADHM CCc1ccc([O-])c(C(=O)Nc2cc(OC)c(OC)cc2C(=O)OC)c1 ZINC000537644762 503990753 /nfs/dbraw/zinc/99/07/53/503990753.db2.gz SWXVMABCJSBFNG-UHFFFAOYSA-N -1 3 359.378 3.011 20 0 FGADHM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)CCO1 ZINC000537657616 503994707 /nfs/dbraw/zinc/99/47/07/503994707.db2.gz QZYUYADOQAYJAO-GWCFXTLKSA-N -1 3 372.899 3.309 20 0 FGADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)C2(C)COC2)cc1 ZINC000541076076 503997909 /nfs/dbraw/zinc/99/79/09/503997909.db2.gz PECZYDDBNQYRRD-UHFFFAOYSA-N -1 3 374.462 3.079 20 0 FGADHM C[C@H]1C[C@@H](CC[N-]S(=O)(=O)c2csc(-c3ccccc3)n2)CCO1 ZINC000544101075 504006757 /nfs/dbraw/zinc/00/67/57/504006757.db2.gz HOVZCVWKSOZTHZ-KBPBESRZSA-N -1 3 366.508 3.294 20 0 FGADHM CC1(C)Cc2cccc(NC(=O)c3ccc([N-]S(C)(=O)=O)cc3)c2O1 ZINC000530563758 504011549 /nfs/dbraw/zinc/01/15/49/504011549.db2.gz BJCYBFAKHKQEQY-UHFFFAOYSA-N -1 3 360.435 3.024 20 0 FGADHM COc1ccc(-c2ccc(-c3noc([C@@H](C)[N-]S(C)(=O)=O)n3)cc2)cc1 ZINC000547181718 504011713 /nfs/dbraw/zinc/01/17/13/504011713.db2.gz HMMFKGTUFBINDE-GFCCVEGCSA-N -1 3 373.434 3.022 20 0 FGADHM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc(OCCO)c(C)c2)c1C ZINC000541128360 504017888 /nfs/dbraw/zinc/01/78/88/504017888.db2.gz RSCOJHOKJJUNRR-UHFFFAOYSA-N -1 3 363.479 3.401 20 0 FGADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1cnnn1Cc1ccccc1 ZINC000518581587 504020058 /nfs/dbraw/zinc/02/00/58/504020058.db2.gz IIYPHOZVEDONTA-UHFFFAOYSA-N -1 3 362.311 3.303 20 0 FGADHM CCC(CC)c1n[n-]c(=NC(=O)NCCN2[C@H](C)CCC[C@@H]2C)s1 ZINC000518626265 504030410 /nfs/dbraw/zinc/03/04/10/504030410.db2.gz OTXDLLXWJYWRAJ-BETUJISGSA-N -1 3 353.536 3.248 20 0 FGADHM CCc1[n-][nH]c(=NC(=O)[C@@H]2CC23CCCC3)c1-c1ccc2c(c1)OCO2 ZINC000530627614 504032740 /nfs/dbraw/zinc/03/27/40/504032740.db2.gz LVAFWWVGMCXMEK-ZDUSSCGKSA-N -1 3 353.422 3.309 20 0 FGADHM C[N-]S(=O)(=O)c1cc(-c2nc([C@@H](C)c3ccccc3C)no2)c(C)o1 ZINC000547254503 504034878 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/nfs/dbraw/zinc/13/75/17/505137517.db2.gz YEOHEFSSFASQTJ-KRWDZBQOSA-N -1 3 355.463 3.440 20 0 FGADHM CCOC(=O)c1c(C)c2ccccc2nc1CN1C[C@@H](C)C[C@H](C(=O)[O-])C1 ZINC000566300337 505138468 /nfs/dbraw/zinc/13/84/68/505138468.db2.gz GZWMPMLOYMYNMA-ZFWWWQNUSA-N -1 3 370.449 3.263 20 0 FGADHM CCOC(=O)c1ccc(NC(=O)c2[nH]c3ccccc3c2OC)c([O-])c1 ZINC000560612970 505144127 /nfs/dbraw/zinc/14/41/27/505144127.db2.gz IKQNAORXIKCEIR-UHFFFAOYSA-N -1 3 354.362 3.311 20 0 FGADHM COc1ccc(OC)c(CN[C@]2(C(=O)[O-])CCCc3cc(OC)ccc32)c1 ZINC000551057999 505149628 /nfs/dbraw/zinc/14/96/28/505149628.db2.gz SBLHYGMMMPHNNH-OAQYLSRUSA-N -1 3 371.433 3.118 20 0 FGADHM CC(C)c1ccc2occ(C(=O)N3CCC[C@@H]3c3nc(=N)n(C)[n-]3)c2c1 ZINC000566349867 505150952 /nfs/dbraw/zinc/15/09/52/505150952.db2.gz STCZSQYYXNFIMG-OAHLLOKOSA-N -1 3 353.426 3.075 20 0 FGADHM CCc1c(C(=O)N=c2cc3ccccn3[n-]2)cnn1-c1ccc(Cl)cc1 ZINC000557527118 505157239 /nfs/dbraw/zinc/15/72/39/505157239.db2.gz NZEGQUDNZBCPKY-UHFFFAOYSA-N -1 3 365.824 3.410 20 0 FGADHM CC(C)COc1ccc(CCNC(=O)N=c2cc3ccccn3[n-]2)cc1 ZINC000554412964 505169903 /nfs/dbraw/zinc/16/99/03/505169903.db2.gz PMFZRMIIZWEFER-UHFFFAOYSA-N -1 3 352.438 3.155 20 0 FGADHM O=C(Cc1cncc([O-])c1)Nc1ncc(Cc2ccc(F)cc2F)s1 ZINC000557570134 505170686 /nfs/dbraw/zinc/17/06/86/505170686.db2.gz KYRWEACWGKGEQV-UHFFFAOYSA-N -1 3 361.373 3.294 20 0 FGADHM O=C(Nc1ccc(OCC2CCOCC2)cc1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000566443978 505177530 /nfs/dbraw/zinc/17/75/30/505177530.db2.gz GVBGTWOTKHTEOL-UHFFFAOYSA-N -1 3 369.421 3.117 20 0 FGADHM CCOc1cc(CN(C)[C@H](C)c2nc(C)no2)cc(Br)c1[O-] ZINC000566487590 505187955 /nfs/dbraw/zinc/18/79/55/505187955.db2.gz XOLGQYRYSYBEQM-SECBINFHSA-N -1 3 370.247 3.438 20 0 FGADHM CO[C@H](CS(=O)(=O)[N-]c1cc(NC(=O)C(C)(C)C)ccc1C)C1CC1 ZINC000563622638 505194938 /nfs/dbraw/zinc/19/49/38/505194938.db2.gz FJTFXGPKCGBHRQ-MRXNPFEDSA-N -1 3 368.499 3.146 20 0 FGADHM COc1ccc2c(c1)[n-]cc(C(=O)N1CC[C@@](F)(c3ccccc3)C1)c2=O ZINC000566573916 505209944 /nfs/dbraw/zinc/20/99/44/505209944.db2.gz KHFMDUQYCQUAIQ-NRFANRHFSA-N -1 3 366.392 3.248 20 0 FGADHM Cc1ccc2c(CC[N-]S(=O)(=O)c3cn4c(n3)CCC[C@@H]4C)c[nH]c2c1 ZINC000563691294 505213112 /nfs/dbraw/zinc/21/31/12/505213112.db2.gz JRQTVDQGFRKBKK-AWEZNQCLSA-N -1 3 372.494 3.091 20 0 FGADHM O=C1[N-]C(=O)c2cc(NCc3c[nH]nc3-c3ccc(Cl)cc3)ccc21 ZINC000551452802 505230034 /nfs/dbraw/zinc/23/00/34/505230034.db2.gz ZIIFOJBULILCBA-UHFFFAOYSA-N -1 3 352.781 3.226 20 0 FGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)c2cccc(C)c2C)s1 ZINC000554647089 505232018 /nfs/dbraw/zinc/23/20/18/505232018.db2.gz LOZMIIHLTMMWSC-LBPRGKRZSA-N -1 3 353.465 3.191 20 0 FGADHM Cc1cc(C(=O)NCCc2cnc(SC3CCCC3)nc2)ccc1[O-] ZINC000554653808 505232846 /nfs/dbraw/zinc/23/28/46/505232846.db2.gz HHESXKJHHZQVMR-UHFFFAOYSA-N -1 3 357.479 3.498 20 0 FGADHM Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)[N-]c3nc(C)n(C)n3)c12 ZINC000557825848 505239363 /nfs/dbraw/zinc/23/93/63/505239363.db2.gz ALHHOTXUWAZCMZ-UHFFFAOYSA-N -1 3 366.356 3.027 20 0 FGADHM CCCS(=O)(=O)Nc1cccc(NC(=O)c2cc([O-])ccc2Cl)c1 ZINC000566710409 505250357 /nfs/dbraw/zinc/25/03/57/505250357.db2.gz VZSSTKUTUIHSMC-UHFFFAOYSA-N -1 3 368.842 3.450 20 0 FGADHM O=C([N-]c1cccn(CC(F)(F)F)c1=O)c1c(Cl)cncc1Cl ZINC000551566308 505255737 /nfs/dbraw/zinc/25/57/37/505255737.db2.gz JJYBTHZZIXTZAB-UHFFFAOYSA-N -1 3 366.126 3.365 20 0 FGADHM C[C@H](Cc1nc(-c2ccc3n[n-]nc3c2)no1)C(=O)c1cccc(F)c1 ZINC000563852097 505257126 /nfs/dbraw/zinc/25/71/26/505257126.db2.gz IORBVXZJWQGMOD-SNVBAGLBSA-N -1 3 351.341 3.209 20 0 FGADHM Cc1ccc2c(CN3CCN(CC(F)(F)C(F)F)CC3)ccc([O-])c2n1 ZINC000554819630 505272905 /nfs/dbraw/zinc/27/29/05/505272905.db2.gz CKPYZZVVVWAPQM-UHFFFAOYSA-N -1 3 371.378 3.267 20 0 FGADHM C[C@H]1Oc2cc(F)ccc2[C@H]1[N-]S(=O)(=O)Cc1cccc(Cl)c1 ZINC000566819103 505280100 /nfs/dbraw/zinc/28/01/00/505280100.db2.gz SWZFPMRRHUAWAS-HWPZZCPQSA-N -1 3 355.818 3.421 20 0 FGADHM COc1cc(C)c(CN(C)CCOc2cccc(C(=O)[O-])c2)cc1OC ZINC000566861034 505294533 /nfs/dbraw/zinc/29/45/33/505294533.db2.gz XSRCNQWCZIFVIE-UHFFFAOYSA-N -1 3 359.422 3.221 20 0 FGADHM O=C(c1c[n-]c2ccncc2c1=O)N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000561271207 505300063 /nfs/dbraw/zinc/30/00/63/505300063.db2.gz ZZIGDDSILFIXNZ-GOSISDBHSA-N -1 3 351.381 3.430 20 0 FGADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1ccccc1NCc1ccco1 ZINC000551761919 505300317 /nfs/dbraw/zinc/30/03/17/505300317.db2.gz RHSSMKYGJORGLW-UHFFFAOYSA-N -1 3 374.404 3.248 20 0 FGADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1ccccc1NCc1ccco1 ZINC000551761919 505300324 /nfs/dbraw/zinc/30/03/24/505300324.db2.gz RHSSMKYGJORGLW-UHFFFAOYSA-N -1 3 374.404 3.248 20 0 FGADHM COC(C)(C)c1nc(C)c(C(=O)[N-]c2ncn(Cc3ccccc3)n2)s1 ZINC000566944150 505318460 /nfs/dbraw/zinc/31/84/60/505318460.db2.gz ZNDUOCLWHKTVQO-UHFFFAOYSA-N -1 3 371.466 3.225 20 0 FGADHM O=S(=O)([N-]C[C@@H]1CCCSC1)c1c(F)cccc1OC(F)(F)F ZINC000561343525 505320243 /nfs/dbraw/zinc/32/02/43/505320243.db2.gz AXTZFMMYKYVWCH-VIFPVBQESA-N -1 3 373.393 3.146 20 0 FGADHM O=C(NCc1ccc([O-])c(Br)c1)Nc1ccn2ccnc2c1 ZINC000554987110 505320595 /nfs/dbraw/zinc/32/05/95/505320595.db2.gz NOPNBJCOJQFXJO-UHFFFAOYSA-N -1 3 361.199 3.124 20 0 FGADHM CCOC(=O)c1cc(NC(=O)c2cc(Br)c(CC)s2)n[n-]1 ZINC000551826382 505321071 /nfs/dbraw/zinc/32/10/71/505321071.db2.gz WKYKGAWDZPKYIB-UHFFFAOYSA-N -1 3 372.244 3.225 20 0 FGADHM CCOC(=O)c1cc(NC(=O)c2cc(Br)c(CC)s2)[n-]n1 ZINC000551826382 505321073 /nfs/dbraw/zinc/32/10/73/505321073.db2.gz WKYKGAWDZPKYIB-UHFFFAOYSA-N -1 3 372.244 3.225 20 0 FGADHM O=C(Nc1cccc(-c2nnnn2C2CC2)c1)c1cc([O-])ccc1Cl ZINC000561400049 505336468 /nfs/dbraw/zinc/33/64/68/505336468.db2.gz BROWANFKUBWFAI-UHFFFAOYSA-N -1 3 355.785 3.286 20 0 FGADHM Cc1ccnc(N2CCN(Cc3cc([O-])cc(C(F)(F)F)c3)CC2)c1 ZINC000564261584 505365949 /nfs/dbraw/zinc/36/59/49/505365949.db2.gz SZBUTOUGTMMDDR-UHFFFAOYSA-N -1 3 351.372 3.437 20 0 FGADHM O=C(NCCCNC(=O)[C@@H]1C[C@@H]1c1ccccc1Cl)c1cccc([O-])c1 ZINC000555206007 505378738 /nfs/dbraw/zinc/37/87/38/505378738.db2.gz RYOATAXXHCYWEJ-IAGOWNOFSA-N -1 3 372.852 3.085 20 0 FGADHM COC[C@]1(C(=O)[O-])CCN(Cc2nc(C)c(-c3ccc(Cl)cc3)o2)C1 ZINC000567172945 505384781 /nfs/dbraw/zinc/38/47/81/505384781.db2.gz FTAVIJZYPHAFEA-SFHVURJKSA-N -1 3 364.829 3.227 20 0 FGADHM CCOc1cc(CNCc2ccc(OC)nc2)cc(Br)c1[O-] ZINC000561591831 505386267 /nfs/dbraw/zinc/38/62/67/505386267.db2.gz ADLZDLQXZAWCBJ-UHFFFAOYSA-N -1 3 367.243 3.247 20 0 FGADHM NC(=O)Nc1cc(NCc2cc([O-])ccc2Br)ccc1F ZINC000552072098 505390479 /nfs/dbraw/zinc/39/04/79/505390479.db2.gz VDCRHJBCPSEFJG-UHFFFAOYSA-N -1 3 354.179 3.397 20 0 FGADHM Cc1cc(F)c(S(=O)(=O)[N-]C[C@H]2CC[C@@H](c3ccccc3)O2)cc1F ZINC000558483797 505404949 /nfs/dbraw/zinc/40/49/49/505404949.db2.gz GKWFQBSAGBCLFS-PBHICJAKSA-N -1 3 367.417 3.472 20 0 FGADHM Cc1cc(F)c(S(=O)(=O)[N-]C[C@]2(C)OCCc3sccc32)cc1F ZINC000564410679 505411146 /nfs/dbraw/zinc/41/11/46/505411146.db2.gz DYXXPJVPMCLKQC-INIZCTEOSA-N -1 3 373.446 3.101 20 0 FGADHM Cc1cccc(C2(c3noc(-c4ccc([N-]S(C)(=O)=O)cc4)n3)CC2)c1 ZINC000558518616 505415196 /nfs/dbraw/zinc/41/51/96/505415196.db2.gz AJTHPXBUGUERPM-UHFFFAOYSA-N -1 3 369.446 3.496 20 0 FGADHM CC(C)N(CCN1CCCCCC1)C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000561733421 505421094 /nfs/dbraw/zinc/42/10/94/505421094.db2.gz YBCQXVDQFHQECX-UHFFFAOYSA-N -1 3 370.497 3.305 20 0 FGADHM CCOC(=O)c1c2c(sc1NC(=O)c1cccc3nn[n-]c31)CCCC2 ZINC000555390552 505423130 /nfs/dbraw/zinc/42/31/30/505423130.db2.gz JJXPAENRHUEUSN-UHFFFAOYSA-N -1 3 370.434 3.327 20 0 FGADHM CCOC(=O)c1c2c(sc1NC(=O)c1cccc3[n-]nnc31)CCCC2 ZINC000555390552 505423135 /nfs/dbraw/zinc/42/31/35/505423135.db2.gz JJXPAENRHUEUSN-UHFFFAOYSA-N -1 3 370.434 3.327 20 0 FGADHM CCOC(=O)c1c2c(sc1NC(=O)c1cccc3n[n-]nc31)CCCC2 ZINC000555390552 505423139 /nfs/dbraw/zinc/42/31/39/505423139.db2.gz JJXPAENRHUEUSN-UHFFFAOYSA-N -1 3 370.434 3.327 20 0 FGADHM O=C(N[C@@H]1CCN(c2ccc(Cl)cc2)C1)c1c[n-]nc1-c1ccccn1 ZINC000558560763 505424137 /nfs/dbraw/zinc/42/41/37/505424137.db2.gz JQNVMHHKHIQVJO-CQSZACIVSA-N -1 3 367.840 3.134 20 0 FGADHM Cc1c2ccccc2oc1[C@H](C)NC(=O)CNC(=O)c1ccc([O-])cc1 ZINC000555414057 505426969 /nfs/dbraw/zinc/42/69/69/505426969.db2.gz PPQHDUTVVPETCM-ZDUSSCGKSA-N -1 3 352.390 3.054 20 0 FGADHM COC(=O)C1(CS(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)CCCC1 ZINC000558586973 505431460 /nfs/dbraw/zinc/43/14/60/505431460.db2.gz RUZWJVQHVLLNLF-UHFFFAOYSA-N -1 3 365.373 3.181 20 0 FGADHM CC(C)Cn1cnc(S(=O)(=O)[N-][C@H]2C[C@H](c3ccccc3Cl)C2)c1 ZINC000555455560 505434820 /nfs/dbraw/zinc/43/48/20/505434820.db2.gz KSELTFBXQWNVQK-HDJSIYSDSA-N -1 3 367.902 3.417 20 0 FGADHM Cc1sc(NC[C@H](c2ccc(CC(C)C)cc2)N(C)C)nc1C(=O)[O-] ZINC000567356260 505440235 /nfs/dbraw/zinc/44/02/35/505440235.db2.gz DGELIEGCDGSFPZ-MRXNPFEDSA-N -1 3 361.511 3.485 20 0 FGADHM CC[C@H](C)c1nc([C@H](C)[N-]S(=O)(=O)c2cc(C)c(Cl)s2)n[nH]1 ZINC000555514541 505444422 /nfs/dbraw/zinc/44/44/22/505444422.db2.gz DYHWKJJMEJARMX-CBAPKCEASA-N -1 3 362.908 3.381 20 0 FGADHM Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)N=c1[nH][n-]cc1Br ZINC000552287139 505451320 /nfs/dbraw/zinc/45/13/20/505451320.db2.gz JMAGAGKBCHKMSM-LLVKDONJSA-N -1 3 366.259 3.432 20 0 FGADHM Cc1nc2ccc(NC(=O)c3ccc(C(=O)c4cccc([O-])c4)cc3)cn2n1 ZINC000561937807 505472624 /nfs/dbraw/zinc/47/26/24/505472624.db2.gz AZLSYRQZPRXEPV-UHFFFAOYSA-N -1 3 372.384 3.227 20 0 FGADHM O=C(c1c([O-])cnc2ccc(Cl)cc21)N1CC[C@@H](N2CCCCC2)C1 ZINC000558749657 505482808 /nfs/dbraw/zinc/48/28/08/505482808.db2.gz SGVPHKGVYUTBFS-CQSZACIVSA-N -1 3 359.857 3.294 20 0 FGADHM CC(C)(CN1CCCC1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000562013620 505491690 /nfs/dbraw/zinc/49/16/90/505491690.db2.gz YBYASCKDBAIMQP-UHFFFAOYSA-N -1 3 351.299 3.146 20 0 FGADHM CCn1cnnc1[N-]C(=O)[C@@H](Oc1ccc(F)c(F)c1)c1ccccc1 ZINC000567634786 505521433 /nfs/dbraw/zinc/52/14/33/505521433.db2.gz BYQNOHNAIRUSJG-INIZCTEOSA-N -1 3 358.348 3.335 20 0 FGADHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@@H](CC(C)C)c2ccccc2)s1 ZINC000555951628 505547180 /nfs/dbraw/zinc/54/71/80/505547180.db2.gz ASYPUDAKEFKREX-AWEZNQCLSA-N -1 3 367.496 3.167 20 0 FGADHM O=C([O-])[C@]1(c2ccccc2)CCN(Cc2nnc(-c3ccccc3)s2)C1 ZINC000567742391 505554193 /nfs/dbraw/zinc/55/41/93/505554193.db2.gz CNRGRAWVSKDKLE-HXUWFJFHSA-N -1 3 365.458 3.433 20 0 FGADHM CC(C)C(=O)c1ccc([C@H](C)C(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)cc1 ZINC000559052347 505558308 /nfs/dbraw/zinc/55/83/08/505558308.db2.gz URDDCWFTDPRKIG-SUMWQHHRSA-N -1 3 355.438 3.264 20 0 FGADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@H]1CCC[C@H](F)C1 ZINC000567774849 505561815 /nfs/dbraw/zinc/56/18/15/505561815.db2.gz VIJUNPPWTISORX-QWRGUYRKSA-N -1 3 371.455 3.247 20 0 FGADHM CC1(C)[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2Cl)[C@H]2CCCO[C@@H]21 ZINC000608032829 506386113 /nfs/dbraw/zinc/38/61/13/506386113.db2.gz JTFGOWPLFMFWSH-FZQKWOKYSA-N -1 3 364.294 3.475 20 0 FGADHM COC(=O)c1cc(Br)cc([N-]C(=O)c2coc(C)n2)c1Cl ZINC000588951183 506393146 /nfs/dbraw/zinc/39/31/46/506393146.db2.gz XWSQISYZEDJOBH-UHFFFAOYSA-N -1 3 373.590 3.438 20 0 FGADHM Cc1cccc(F)c1S(=O)(=O)[N-][C@H](c1cccs1)C(C)(C)CO ZINC000582754691 506398086 /nfs/dbraw/zinc/39/80/86/506398086.db2.gz MZRZGZVGMXYKIK-OAHLLOKOSA-N -1 3 357.472 3.234 20 0 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/nfs/dbraw/zinc/77/74/04/515777404.db2.gz ZTURSIQYDPBJHW-LLVKDONJSA-N -1 3 354.179 3.415 20 0 FGADHM CCN(CC(=O)N=c1cc(OC(F)F)n(C)[n-]1)Cc1ccccc1Cl ZINC000506135186 515793268 /nfs/dbraw/zinc/79/32/68/515793268.db2.gz LJDCZVPTWQWIIJ-UHFFFAOYSA-N -1 3 372.803 3.136 20 0 FGADHM CCCc1ccc(-c2cc(=NC(=O)COCc3nnc(C)s3)[nH][n-]2)cc1 ZINC000483189389 515976107 /nfs/dbraw/zinc/97/61/07/515976107.db2.gz IJSPKLXJBKDXHH-UHFFFAOYSA-N -1 3 371.466 3.344 20 0 FGADHM Cc1cc(C)cc(-c2cc(=NC(=O)CNC(=O)C3CCCCC3)[nH][n-]2)c1 ZINC000512554419 516304598 /nfs/dbraw/zinc/30/45/98/516304598.db2.gz GGEUNAULQKFSLW-UHFFFAOYSA-N -1 3 354.454 3.329 20 0 FGADHM CCCc1ccc(-c2cc(=NC(=O)c3ccc(-n4ccnc4)nn3)[nH][n-]2)cc1 ZINC000523775681 516574730 /nfs/dbraw/zinc/57/47/30/516574730.db2.gz VLBIEKLMJOBQRG-UHFFFAOYSA-N -1 3 373.420 3.257 20 0 FGADHM Cc1ccc([C@H](CNC(=O)N=c2cc(C)c(C)n[n-]2)N2CCCC2)cc1 ZINC000531813665 516654540 /nfs/dbraw/zinc/65/45/40/516654540.db2.gz JOLBCHIXIZJTEV-SFHVURJKSA-N -1 3 353.470 3.360 20 0 FGADHM CCN(Cc1ccc(CN(C)C)cc1)C(=O)N=c1ncn(C(C)(C)C)[n-]1 ZINC000544318351 516698894 /nfs/dbraw/zinc/69/88/94/516698894.db2.gz WMUJBDOCPDRLTD-UHFFFAOYSA-N -1 3 358.490 3.149 20 0 FGADHM CCC(C)(C)N[C@@H](C)C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000513747106 516738165 /nfs/dbraw/zinc/73/81/65/516738165.db2.gz JSDCKJQYFNCVIT-JTQLQIEISA-N -1 3 353.264 3.202 20 0 FGADHM CN(C)[C@@H](C(=O)N=c1cc2ccc(Br)cn2[n-]1)c1ccccc1 ZINC000513747092 516738386 /nfs/dbraw/zinc/73/83/86/516738386.db2.gz JLSQNBLKHPZKCD-MRXNPFEDSA-N -1 3 373.254 3.338 20 0 FGADHM Cc1ccccc1-c1cc(=NC(=O)c2ccnc(O[C@H]3CCOC3)c2)[nH][n-]1 ZINC000544538971 516803401 /nfs/dbraw/zinc/80/34/01/516803401.db2.gz ARHPLJBRIRUBGY-HNNXBMFYSA-N -1 3 364.405 3.200 20 0 FGADHM COC(=O)c1cncc(C(=O)N=c2cc(-c3cc(C)c(C)cc3C)[n-][nH]2)c1 ZINC000536946621 516989561 /nfs/dbraw/zinc/98/95/61/516989561.db2.gz NHPPQWBOYNRTLB-UHFFFAOYSA-N -1 3 364.405 3.436 20 0 FGADHM C[C@@H]1C[C@@H](C(=O)N=c2cc(-c3cc(Cl)cc(Cl)c3)[n-][nH]2)CC(=O)N1 ZINC000541725411 517189019 /nfs/dbraw/zinc/18/90/19/517189019.db2.gz BAJMUGZBRPYZTI-PSASIEDQSA-N -1 3 367.236 3.237 20 0 FGADHM C[C@H](c1ccncc1)N1CCC(N=c2[n-]nc(C3CCOCC3)s2)CC1 ZINC000519823440 517206049 /nfs/dbraw/zinc/20/60/49/517206049.db2.gz OBOYFWOQIHGWLT-CQSZACIVSA-N -1 3 373.526 3.465 20 0 FGADHM Cc1c(C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)cnn1-c1ccc(C)cc1 ZINC000525967209 517263628 /nfs/dbraw/zinc/26/36/28/517263628.db2.gz WATCZQWLWVAZFB-KRWDZBQOSA-N -1 3 351.410 3.316 20 0 FGADHM CN(C(=O)N=c1ccc(C2CC2)n[n-]1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000533308142 517399628 /nfs/dbraw/zinc/39/96/28/517399628.db2.gz QJCUOFJAEPLGIP-SFHVURJKSA-N -1 3 365.481 3.482 20 0 FGADHM Cc1cc(C)n(Cc2cccc(C(=O)N=c3cc([C@@H]4CCCO4)[n-][nH]3)c2)n1 ZINC000527209073 517562898 /nfs/dbraw/zinc/56/28/98/517562898.db2.gz WNWJEPGIYBTTSE-SFHVURJKSA-N -1 3 365.437 3.375 20 0 FGADHM O=C(CCC(=O)NC1CCCC1)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1 ZINC000533701609 517577264 /nfs/dbraw/zinc/57/72/64/517577264.db2.gz FQBUVEKPTAXVEJ-UHFFFAOYSA-N -1 3 362.380 3.132 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@H](C)NC(=O)C2CCCC2)c1-c1ccccc1F ZINC000530275702 517673356 /nfs/dbraw/zinc/67/33/56/517673356.db2.gz MLRMECMCLHJYER-LBPRGKRZSA-N -1 3 358.417 3.158 20 0 FGADHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000527499283 517711585 /nfs/dbraw/zinc/71/15/85/517711585.db2.gz ULRKRTGSBGCROZ-IEBWSBKVSA-N -1 3 371.437 3.137 20 0 FGADHM CCCCc1n[n-]c(=NC(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)s1 ZINC000530461631 517788158 /nfs/dbraw/zinc/78/81/58/517788158.db2.gz ZILRGLGDSBMWDN-GDBMZVCRSA-N -1 3 359.499 3.448 20 0 FGADHM O=C(N=c1cc(-c2ccccc2)[n-][nH]1)c1c[nH]nc1-c1ccc2c(c1)OCO2 ZINC000543375740 518056306 /nfs/dbraw/zinc/05/63/06/518056306.db2.gz YCEOFTBOROONFN-UHFFFAOYSA-N -1 3 373.372 3.448 20 0 FGADHM CN(C)CCOc1cc(CN=c2[n-]nc(-c3ccccc3)s2)ccn1 ZINC000534972612 518100910 /nfs/dbraw/zinc/10/09/10/518100910.db2.gz WYSKTKXUFHGMLA-UHFFFAOYSA-N -1 3 355.467 3.153 20 0 FGADHM COc1cccc(C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)c1OC(F)F ZINC000616825974 520164096 /nfs/dbraw/zinc/16/40/96/520164096.db2.gz DYIHIULQLFKZLB-NSHDSACASA-N -1 3 353.325 3.124 20 0 FGADHM CCCC(=O)N=c1cc(-c2ccc(I)cc2)[n-][nH]1 ZINC000609490769 520332589 /nfs/dbraw/zinc/33/25/89/520332589.db2.gz FPQABPHONZSCLN-UHFFFAOYSA-N -1 3 355.179 3.420 20 0 FGADHM COC(=O)[C@H]1CC[C@H](C(=O)N=c2[nH][n-]c(C)c2-c2cccc(OC)c2)CC1 ZINC000600772456 520459993 /nfs/dbraw/zinc/45/99/93/520459993.db2.gz MLIFZWUKDPVZME-OKILXGFUSA-N -1 3 371.437 3.312 20 0 FGADHM Cn1cc(I)c(=NC(=O)C2CC3(C2)CCCCC3)[n-]1 ZINC000602389281 521314783 /nfs/dbraw/zinc/31/47/83/521314783.db2.gz GLXDRFYTNSNXSF-UHFFFAOYSA-N -1 3 373.238 3.324 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@@H]2CC(=O)N[C@H]3CCCC[C@H]23)c1-c1ccc(C)cc1 ZINC000630021400 522586452 /nfs/dbraw/zinc/58/64/52/522586452.db2.gz GTRCCDDMUNYYKI-ZACQAIPSSA-N -1 3 366.465 3.327 20 0 FGADHM Cc1cn2c(n1)C[C@H](C(=O)N=c1[nH][n-]c(C)c1-c1ccc(F)cc1)CC2 ZINC000630028388 522592226 /nfs/dbraw/zinc/59/22/26/522592226.db2.gz UGADAZBYSOZSDX-CQSZACIVSA-N -1 3 353.401 3.230 20 0 FGADHM CCOCCCn1c(Cc2cc(C)n[nH]2)n[n-]c1=Nc1cccc(OC)c1 ZINC000634414979 523389006 /nfs/dbraw/zinc/38/90/06/523389006.db2.gz AUAFZRPYPHFGCO-UHFFFAOYSA-N -1 3 370.457 3.079 20 0 FGADHM COc1cc(C(=O)N=c2cc3ccc(Br)cn3[n-]2)cc(C)n1 ZINC000511380402 561867460 /nfs/dbraw/zinc/86/74/60/561867460.db2.gz FEJJTAZIBOIGHC-UHFFFAOYSA-N -1 3 361.199 3.061 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)c2nn3c(c2C)OCCC3)c1-c1ccccc1F ZINC000530275046 562405077 /nfs/dbraw/zinc/40/50/77/562405077.db2.gz KBPMUSCAPVTVFJ-UHFFFAOYSA-N -1 3 355.373 3.064 20 0 FGADHM COc1cccc(S(=O)(=O)[N-]C[C@H](OC)c2cccc(Cl)c2)c1F ZINC000655527442 568178189 /nfs/dbraw/zinc/17/81/89/568178189.db2.gz SFRSPOMJGXABGJ-AWEZNQCLSA-N -1 3 373.833 3.154 20 0 FGADHM COc1cccc(S(=O)(=O)[N-]C[C@H]2CCC[C@H](C(F)(F)F)C2)c1F ZINC000655532751 568393601 /nfs/dbraw/zinc/39/36/01/568393601.db2.gz ISGCRGKUWYFFEO-QWRGUYRKSA-N -1 3 369.380 3.481 20 0 FGADHM CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1ccc2c(cnn2C(F)F)c1 ZINC000643269578 568450533 /nfs/dbraw/zinc/45/05/33/568450533.db2.gz MIDFZPHDCLGGQA-CYBMUJFWSA-N -1 3 361.414 3.234 20 0 FGADHM CC[C@H](OC(=O)COc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1F ZINC000736383662 598823554 /nfs/dbraw/zinc/82/35/54/598823554.db2.gz TWIJIPFDWXYJKL-INIZCTEOSA-N -1 3 374.347 3.218 20 0 FGADHM CC[C@H](OC(=O)COc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1F ZINC000736383662 598823555 /nfs/dbraw/zinc/82/35/55/598823555.db2.gz TWIJIPFDWXYJKL-INIZCTEOSA-N -1 3 374.347 3.218 20 0 FGADHM Cc1cc2cc(N[C@@H](C)C(=O)Nc3ccccc3-c3nnn[n-]3)ccc2[nH]1 ZINC000737285330 598836663 /nfs/dbraw/zinc/83/66/63/598836663.db2.gz QLXBJTDWALCFCQ-LBPRGKRZSA-N -1 3 361.409 3.096 20 0 FGADHM Cc1cc2cc(N[C@@H](C)C(=O)Nc3ccccc3-c3nn[n-]n3)ccc2[nH]1 ZINC000737285330 598836664 /nfs/dbraw/zinc/83/66/64/598836664.db2.gz QLXBJTDWALCFCQ-LBPRGKRZSA-N -1 3 361.409 3.096 20 0 FGADHM CCC[C@@H](C)C(=O)Nc1c(C)c(C)nn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000736420144 598839297 /nfs/dbraw/zinc/83/92/97/598839297.db2.gz QRBNJUOPSVZJPB-LLVKDONJSA-N -1 3 353.430 3.044 20 0 FGADHM O=C(OCCc1cccnc1)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000738221303 598857701 /nfs/dbraw/zinc/85/77/01/598857701.db2.gz GMIIMJPUVRGOIV-UHFFFAOYSA-N -1 3 371.400 3.328 20 0 FGADHM O=C(OCCc1cccnc1)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000738221303 598857703 /nfs/dbraw/zinc/85/77/03/598857703.db2.gz GMIIMJPUVRGOIV-UHFFFAOYSA-N -1 3 371.400 3.328 20 0 FGADHM Cc1ccc2oc(SCC(=O)Nc3cccc(-c4nnn[n-]4)c3)nc2c1 ZINC000737378497 598861992 /nfs/dbraw/zinc/86/19/92/598861992.db2.gz CVNNGKICBSHBMP-UHFFFAOYSA-N -1 3 366.406 3.047 20 0 FGADHM Cc1ccc2oc(SCC(=O)Nc3cccc(-c4nn[n-]n4)c3)nc2c1 ZINC000737378497 598861994 /nfs/dbraw/zinc/86/19/94/598861994.db2.gz CVNNGKICBSHBMP-UHFFFAOYSA-N -1 3 366.406 3.047 20 0 FGADHM C[C@H](NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)C1CCCC1 ZINC000736117051 598879253 /nfs/dbraw/zinc/87/92/53/598879253.db2.gz GYPTWELVFWUFBS-VIFPVBQESA-N -1 3 366.372 3.168 20 0 FGADHM C[C@H](NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)C1CCCC1 ZINC000736117051 598879255 /nfs/dbraw/zinc/87/92/55/598879255.db2.gz GYPTWELVFWUFBS-VIFPVBQESA-N -1 3 366.372 3.168 20 0 FGADHM Cc1cc(C(=O)O[C@H](C)COc2cccc(-c3nnn[n-]3)c2)c(C)s1 ZINC000737238764 598883785 /nfs/dbraw/zinc/88/37/85/598883785.db2.gz SFBPAGJGKQLZLS-SNVBAGLBSA-N -1 3 358.423 3.169 20 0 FGADHM Cc1cc(C(=O)O[C@H](C)COc2cccc(-c3nn[n-]n3)c2)c(C)s1 ZINC000737238764 598883786 /nfs/dbraw/zinc/88/37/86/598883786.db2.gz SFBPAGJGKQLZLS-SNVBAGLBSA-N -1 3 358.423 3.169 20 0 FGADHM CCc1ccsc1C(=O)O[C@@H](C)COc1cccc(-c2nnn[n-]2)c1 ZINC000736701855 598883897 /nfs/dbraw/zinc/88/38/97/598883897.db2.gz JIMWDTGYXGURDM-NSHDSACASA-N -1 3 358.423 3.115 20 0 FGADHM CCc1ccsc1C(=O)O[C@@H](C)COc1cccc(-c2nn[n-]n2)c1 ZINC000736701855 598883899 /nfs/dbraw/zinc/88/38/99/598883899.db2.gz JIMWDTGYXGURDM-NSHDSACASA-N -1 3 358.423 3.115 20 0 FGADHM COC(=O)[C@@H](N[C@@H](C)c1cccc(C)c1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736899692 598886985 /nfs/dbraw/zinc/88/69/85/598886985.db2.gz ZAXWSVKMROERLQ-KSSFIOAISA-N -1 3 365.437 3.048 20 0 FGADHM COC(=O)[C@@H](N[C@@H](C)c1cccc(C)c1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736899692 598886987 /nfs/dbraw/zinc/88/69/87/598886987.db2.gz ZAXWSVKMROERLQ-KSSFIOAISA-N -1 3 365.437 3.048 20 0 FGADHM C[C@@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)Cc1ccc(Cl)cc1 ZINC000736037050 598887447 /nfs/dbraw/zinc/88/74/47/598887447.db2.gz IYIWAOYJQDPNAA-LBPRGKRZSA-N -1 3 372.812 3.073 20 0 FGADHM C[C@@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)Cc1ccc(Cl)cc1 ZINC000736037050 598887449 /nfs/dbraw/zinc/88/74/49/598887449.db2.gz IYIWAOYJQDPNAA-LBPRGKRZSA-N -1 3 372.812 3.073 20 0 FGADHM CC[C@H](c1ccncc1)N(CC)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000736396961 598889394 /nfs/dbraw/zinc/88/93/94/598889394.db2.gz QCNACTNRRUYDBG-MRXNPFEDSA-N -1 3 351.414 3.267 20 0 FGADHM CC[C@H](c1ccncc1)N(CC)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000736396961 598889395 /nfs/dbraw/zinc/88/93/95/598889395.db2.gz QCNACTNRRUYDBG-MRXNPFEDSA-N -1 3 351.414 3.267 20 0 FGADHM CC(C)CCNC(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000735811792 598889589 /nfs/dbraw/zinc/88/95/89/598889589.db2.gz VGCVKNCEMZMLJT-UHFFFAOYSA-N -1 3 370.482 3.441 20 0 FGADHM CC(C)(C)C(=O)C(=O)Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735587908 598892842 /nfs/dbraw/zinc/89/28/42/598892842.db2.gz ZEPXSPDNIZVAEJ-UHFFFAOYSA-N -1 3 350.378 3.054 20 0 FGADHM CC(C)(C)C(=O)C(=O)Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735587908 598892843 /nfs/dbraw/zinc/89/28/43/598892843.db2.gz ZEPXSPDNIZVAEJ-UHFFFAOYSA-N -1 3 350.378 3.054 20 0 FGADHM CC(C)(C)C(=O)C(=O)Nc1sc(-c2ccccc2)cc1-c1nnn[n-]1 ZINC000735585484 598904139 /nfs/dbraw/zinc/90/41/39/598904139.db2.gz CUAMOUNHCHFXTO-UHFFFAOYSA-N -1 3 355.423 3.149 20 0 FGADHM CC(C)(C)C(=O)C(=O)Nc1sc(-c2ccccc2)cc1-c1nn[n-]n1 ZINC000735585484 598904141 /nfs/dbraw/zinc/90/41/41/598904141.db2.gz CUAMOUNHCHFXTO-UHFFFAOYSA-N -1 3 355.423 3.149 20 0 FGADHM C[C@H]1CCCC[C@H]1CCNC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736264381 598907708 /nfs/dbraw/zinc/90/77/08/598907708.db2.gz VVFSAQZYYTWUNB-KBPBESRZSA-N -1 3 359.499 3.291 20 0 FGADHM C[C@H]1CCCC[C@H]1CCNC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736264381 598907710 /nfs/dbraw/zinc/90/77/10/598907710.db2.gz VVFSAQZYYTWUNB-KBPBESRZSA-N -1 3 359.499 3.291 20 0 FGADHM CC(C)c1ccc([C@H]2C[C@@H]2C(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000525375646 598910414 /nfs/dbraw/zinc/91/04/14/598910414.db2.gz YWZGTQPEWIRLSB-MOPGFXCFSA-N -1 3 361.449 3.410 20 0 FGADHM CC(C)c1ccc([C@H]2C[C@@H]2C(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000525375646 598910416 /nfs/dbraw/zinc/91/04/16/598910416.db2.gz YWZGTQPEWIRLSB-MOPGFXCFSA-N -1 3 361.449 3.410 20 0 FGADHM CCOc1ccc(Nc2ncc(-c3nnn[n-]3)cc2Cl)cc1OCC ZINC000736646777 598933971 /nfs/dbraw/zinc/93/39/71/598933971.db2.gz JSYMLXKTDOMKBR-UHFFFAOYSA-N -1 3 360.805 3.456 20 0 FGADHM CCOc1ccc(Nc2ncc(-c3nn[n-]n3)cc2Cl)cc1OCC ZINC000736646777 598933975 /nfs/dbraw/zinc/93/39/75/598933975.db2.gz JSYMLXKTDOMKBR-UHFFFAOYSA-N -1 3 360.805 3.456 20 0 FGADHM CCSc1nnc(Sc2ncc(-c3nnn[n-]3)cc2Cl)s1 ZINC000736665509 598935745 /nfs/dbraw/zinc/93/57/45/598935745.db2.gz FGXWGNKPMLVJAA-UHFFFAOYSA-N -1 3 357.877 3.030 20 0 FGADHM CCSc1nnc(Sc2ncc(-c3nn[n-]n3)cc2Cl)s1 ZINC000736665509 598935747 /nfs/dbraw/zinc/93/57/47/598935747.db2.gz FGXWGNKPMLVJAA-UHFFFAOYSA-N -1 3 357.877 3.030 20 0 FGADHM COc1cccc(CSCCOc2ccc(-c3nnn[n-]3)cc2OC)c1 ZINC000737132841 598940024 /nfs/dbraw/zinc/94/00/24/598940024.db2.gz RZRMYHFMEFRPCJ-UHFFFAOYSA-N -1 3 372.450 3.196 20 0 FGADHM COc1cccc(CSCCOc2ccc(-c3nn[n-]n3)cc2OC)c1 ZINC000737132841 598940026 /nfs/dbraw/zinc/94/00/26/598940026.db2.gz RZRMYHFMEFRPCJ-UHFFFAOYSA-N -1 3 372.450 3.196 20 0 FGADHM Clc1cccc(-c2noc(CCNc3ccc(-c4nn[n-]n4)cc3)n2)c1 ZINC000737575270 598945013 /nfs/dbraw/zinc/94/50/13/598945013.db2.gz OSDCYHKBVPTLJL-UHFFFAOYSA-N -1 3 367.800 3.225 20 0 FGADHM CCN(c1cccc(C)c1C)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000736564914 598948051 /nfs/dbraw/zinc/94/80/51/598948051.db2.gz OTVJKOLSVQADPU-UHFFFAOYSA-N -1 3 371.466 3.007 20 0 FGADHM CCN(c1cccc(C)c1C)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000736564914 598948053 /nfs/dbraw/zinc/94/80/53/598948053.db2.gz OTVJKOLSVQADPU-UHFFFAOYSA-N -1 3 371.466 3.007 20 0 FGADHM C[C@@H](OC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1)C1CC1 ZINC000736163033 598967932 /nfs/dbraw/zinc/96/79/32/598967932.db2.gz LFADKKYKQNLYJL-CYBMUJFWSA-N -1 3 364.405 3.401 20 0 FGADHM C[C@@H](OC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1)C1CC1 ZINC000736163033 598967933 /nfs/dbraw/zinc/96/79/33/598967933.db2.gz LFADKKYKQNLYJL-CYBMUJFWSA-N -1 3 364.405 3.401 20 0 FGADHM Cc1ccc([C@@H](C)NC(=O)CNc2cccc(-c3nnn[n-]3)c2C)cc1C ZINC000822229333 607256025 /nfs/dbraw/zinc/25/60/25/607256025.db2.gz RWMSBCDIOWHCCG-OAHLLOKOSA-N -1 3 364.453 3.081 20 0 FGADHM Cc1ccc([C@@H](C)NC(=O)CNc2cccc(-c3nn[n-]n3)c2C)cc1C ZINC000822229333 607256026 /nfs/dbraw/zinc/25/60/26/607256026.db2.gz RWMSBCDIOWHCCG-OAHLLOKOSA-N -1 3 364.453 3.081 20 0 FGADHM O[C@H](CNc1ccc(-c2nn[n-]n2)cc1)c1c(Cl)cccc1Cl ZINC000738382549 598977268 /nfs/dbraw/zinc/97/72/68/598977268.db2.gz LMVXDVWBILENAD-CYBMUJFWSA-N -1 3 350.209 3.319 20 0 FGADHM C[C@@H]1C[C@@H](c2ccccc2)CN1C(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000736234190 598977566 /nfs/dbraw/zinc/97/75/66/598977566.db2.gz IMSBDRPZBSGEPP-UKRRQHHQSA-N -1 3 364.478 3.442 20 0 FGADHM C[C@@H]1C[C@@H](c2ccccc2)CN1C(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000736234190 598977567 /nfs/dbraw/zinc/97/75/67/598977567.db2.gz IMSBDRPZBSGEPP-UKRRQHHQSA-N -1 3 364.478 3.442 20 0 FGADHM C[C@H]1C[C@H](c2ccccc2)CN1C(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000736234191 598977609 /nfs/dbraw/zinc/97/76/09/598977609.db2.gz IMSBDRPZBSGEPP-ZFWWWQNUSA-N -1 3 364.478 3.442 20 0 FGADHM C[C@H]1C[C@H](c2ccccc2)CN1C(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000736234191 598977610 /nfs/dbraw/zinc/97/76/10/598977610.db2.gz IMSBDRPZBSGEPP-ZFWWWQNUSA-N -1 3 364.478 3.442 20 0 FGADHM CCC(CC)NC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736345512 598978515 /nfs/dbraw/zinc/97/85/15/598978515.db2.gz HYSXUHKQLYHXEU-UHFFFAOYSA-N -1 3 365.437 3.364 20 0 FGADHM CC(C)CCNC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000735811608 598978883 /nfs/dbraw/zinc/97/88/83/598978883.db2.gz NMHQQGWUNPLXCG-UHFFFAOYSA-N -1 3 365.437 3.222 20 0 FGADHM CC(C)CCNC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000735811608 598978884 /nfs/dbraw/zinc/97/88/84/598978884.db2.gz NMHQQGWUNPLXCG-UHFFFAOYSA-N -1 3 365.437 3.222 20 0 FGADHM O=C(NC1CCCC1)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738023674 598979450 /nfs/dbraw/zinc/97/94/50/598979450.db2.gz IPPAYBMHWWFAET-UHFFFAOYSA-N -1 3 363.421 3.118 20 0 FGADHM O=C(C[C@H]1OCCc2ccccc21)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737821137 598982405 /nfs/dbraw/zinc/98/24/05/598982405.db2.gz VMRBYPSDFWCWLO-MRXNPFEDSA-N -1 3 369.812 3.163 20 0 FGADHM O=C(C[C@H]1OCCc2ccccc21)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737821137 598982407 /nfs/dbraw/zinc/98/24/07/598982407.db2.gz VMRBYPSDFWCWLO-MRXNPFEDSA-N -1 3 369.812 3.163 20 0 FGADHM CC[C@@H](NC(=S)N(C)c1cccc(-c2nnn[n-]2)c1)c1cccs1 ZINC000736372038 599013818 /nfs/dbraw/zinc/01/38/18/599013818.db2.gz UYDSAWJLRIRSSA-CYBMUJFWSA-N -1 3 358.496 3.390 20 0 FGADHM CC[C@@H](NC(=S)N(C)c1cccc(-c2nn[n-]n2)c1)c1cccs1 ZINC000736372038 599013820 /nfs/dbraw/zinc/01/38/20/599013820.db2.gz UYDSAWJLRIRSSA-CYBMUJFWSA-N -1 3 358.496 3.390 20 0 FGADHM CCOc1cccc(CNc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)c1 ZINC000736654314 599044029 /nfs/dbraw/zinc/04/40/29/599044029.db2.gz JZGYEHUANADIAM-UHFFFAOYSA-N -1 3 364.331 3.291 20 0 FGADHM CCOc1cccc(CNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)c1 ZINC000736654314 599044032 /nfs/dbraw/zinc/04/40/32/599044032.db2.gz JZGYEHUANADIAM-UHFFFAOYSA-N -1 3 364.331 3.291 20 0 FGADHM CCN(CCc1ccccc1)c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000736542325 599047123 /nfs/dbraw/zinc/04/71/23/599047123.db2.gz PVHYBMPLPVTWFI-UHFFFAOYSA-N -1 3 362.359 3.350 20 0 FGADHM CCN(CCc1ccccc1)c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000736542325 599047125 /nfs/dbraw/zinc/04/71/25/599047125.db2.gz PVHYBMPLPVTWFI-UHFFFAOYSA-N -1 3 362.359 3.350 20 0 FGADHM C[C@@H](Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)c1nc2ccccc2[nH]1 ZINC000736135590 599048407 /nfs/dbraw/zinc/04/84/07/599048407.db2.gz CAOAOBDBEQERFL-MRVPVSSYSA-N -1 3 374.330 3.330 20 0 FGADHM C[C@@H](Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)c1nc2ccccc2[nH]1 ZINC000736135590 599048412 /nfs/dbraw/zinc/04/84/12/599048412.db2.gz CAOAOBDBEQERFL-MRVPVSSYSA-N -1 3 374.330 3.330 20 0 FGADHM Brc1cccc(C2(CNc3ccc(-c4nnn[n-]4)cn3)CC2)c1 ZINC000735367931 599057501 /nfs/dbraw/zinc/05/75/01/599057501.db2.gz BHDPFXDQSXKKNT-UHFFFAOYSA-N -1 3 371.242 3.168 20 0 FGADHM Brc1cccc(C2(CNc3ccc(-c4nn[n-]n4)cn3)CC2)c1 ZINC000735367931 599057503 /nfs/dbraw/zinc/05/75/03/599057503.db2.gz BHDPFXDQSXKKNT-UHFFFAOYSA-N -1 3 371.242 3.168 20 0 FGADHM C[C@@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(=O)Nc1cccc(F)c1 ZINC000736191411 599062809 /nfs/dbraw/zinc/06/28/09/599062809.db2.gz INBHSLAPQJGVLL-SECBINFHSA-N -1 3 361.377 3.264 20 0 FGADHM C[C@@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(=O)Nc1cccc(F)c1 ZINC000736191411 599062811 /nfs/dbraw/zinc/06/28/11/599062811.db2.gz INBHSLAPQJGVLL-SECBINFHSA-N -1 3 361.377 3.264 20 0 FGADHM C[C@@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)Oc1cccc(Cl)c1 ZINC000820280766 599064317 /nfs/dbraw/zinc/06/43/17/599064317.db2.gz OCRCOLBANFYCDP-VIFPVBQESA-N -1 3 365.224 3.448 20 0 FGADHM C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)Oc1cccc(Cl)c1 ZINC000820280766 599064320 /nfs/dbraw/zinc/06/43/20/599064320.db2.gz OCRCOLBANFYCDP-VIFPVBQESA-N -1 3 365.224 3.448 20 0 FGADHM C[C@@H]1CCC[C@H](C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)C1 ZINC000736244758 599072543 /nfs/dbraw/zinc/07/25/43/599072543.db2.gz MXUXREVWVZFNBN-KOLCDFICSA-N -1 3 351.357 3.233 20 0 FGADHM C[C@@H]1CCC[C@H](C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)C1 ZINC000736244758 599072545 /nfs/dbraw/zinc/07/25/45/599072545.db2.gz MXUXREVWVZFNBN-KOLCDFICSA-N -1 3 351.357 3.233 20 0 FGADHM Cc1cc(C)c(-c2nnn[n-]2)c(NC[C@@H](C)Oc2ccc(Cl)cc2)n1 ZINC000822193058 599093383 /nfs/dbraw/zinc/09/33/83/599093383.db2.gz JWGMAUYFMNERSE-GFCCVEGCSA-N -1 3 358.833 3.411 20 0 FGADHM Cc1cc(C)c(-c2nn[n-]n2)c(NC[C@@H](C)Oc2ccc(Cl)cc2)n1 ZINC000822193058 599093385 /nfs/dbraw/zinc/09/33/85/599093385.db2.gz JWGMAUYFMNERSE-GFCCVEGCSA-N -1 3 358.833 3.411 20 0 FGADHM Cc1ccnc(-c2ccc(NC(=O)Nc3cccc(-c4nnn[n-]4)c3)cc2)n1 ZINC000737437751 599102200 /nfs/dbraw/zinc/10/22/00/599102200.db2.gz WSRALBPFAGAOAD-UHFFFAOYSA-N -1 3 372.392 3.276 20 0 FGADHM Cc1ccnc(-c2ccc(NC(=O)Nc3cccc(-c4nn[n-]n4)c3)cc2)n1 ZINC000737437751 599102201 /nfs/dbraw/zinc/10/22/01/599102201.db2.gz WSRALBPFAGAOAD-UHFFFAOYSA-N -1 3 372.392 3.276 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NC[C@@H](C)C(C)(C)C ZINC000736482298 599104280 /nfs/dbraw/zinc/10/42/80/599104280.db2.gz YWHGFOXBSQNNGY-CQSZACIVSA-N -1 3 358.490 3.471 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@@H](C)C(C)(C)C ZINC000736482298 599104284 /nfs/dbraw/zinc/10/42/84/599104284.db2.gz YWHGFOXBSQNNGY-CQSZACIVSA-N -1 3 358.490 3.471 20 0 FGADHM COc1ccc(CN(C)c2c(-c3nnn[n-]3)cnc3c(C)cccc32)cc1 ZINC000737090331 599121603 /nfs/dbraw/zinc/12/16/03/599121603.db2.gz FTRPDIFXTLVWMD-UHFFFAOYSA-N -1 3 360.421 3.368 20 0 FGADHM COc1ccc(CN(C)c2c(-c3nn[n-]n3)cnc3c(C)cccc32)cc1 ZINC000737090331 599121606 /nfs/dbraw/zinc/12/16/06/599121606.db2.gz FTRPDIFXTLVWMD-UHFFFAOYSA-N -1 3 360.421 3.368 20 0 FGADHM Cc1cc(Oc2ncccc2-c2nnn[n-]2)ccc1NC(=O)CC1CCC1 ZINC000822211944 599141843 /nfs/dbraw/zinc/14/18/43/599141843.db2.gz VBWQAXGWKMZZOZ-UHFFFAOYSA-N -1 3 364.409 3.491 20 0 FGADHM CCN(C(=O)[C@H](C)c1ccc(C)o1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821149289 599143623 /nfs/dbraw/zinc/14/36/23/599143623.db2.gz UWLXUXNVHXPWFR-ZIAGYGMSSA-N -1 3 353.426 3.481 20 0 FGADHM CCN(C(=O)[C@H](C)c1ccc(C)o1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821149289 599143626 /nfs/dbraw/zinc/14/36/26/599143626.db2.gz UWLXUXNVHXPWFR-ZIAGYGMSSA-N -1 3 353.426 3.481 20 0 FGADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)c1cc(Cl)cc(Cl)c1 ZINC000823239087 599165833 /nfs/dbraw/zinc/16/58/33/599165833.db2.gz WMTKZTLOTRFUKI-UHFFFAOYSA-N -1 3 366.183 3.243 20 0 FGADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)c1cc(Cl)cc(Cl)c1 ZINC000823239087 599165836 /nfs/dbraw/zinc/16/58/36/599165836.db2.gz WMTKZTLOTRFUKI-UHFFFAOYSA-N -1 3 366.183 3.243 20 0 FGADHM Cc1ccc([C@@H]2CSCCN2C(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737329395 599167074 /nfs/dbraw/zinc/16/70/74/599167074.db2.gz GLBWOZCCKFTUPP-KRWDZBQOSA-N -1 3 365.462 3.105 20 0 FGADHM Cc1ccc([C@@H]2CSCCN2C(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737329395 599167076 /nfs/dbraw/zinc/16/70/76/599167076.db2.gz GLBWOZCCKFTUPP-KRWDZBQOSA-N -1 3 365.462 3.105 20 0 FGADHM Cc1ccc([C@@H]2CCCN2C(=O)CCc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000737330768 599167221 /nfs/dbraw/zinc/16/72/21/599167221.db2.gz KNKYYWNRFISGMJ-INIZCTEOSA-N -1 3 351.410 3.064 20 0 FGADHM Cc1ccc([C@@H]2CCCN2C(=O)CCc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000737330768 599167223 /nfs/dbraw/zinc/16/72/23/599167223.db2.gz KNKYYWNRFISGMJ-INIZCTEOSA-N -1 3 351.410 3.064 20 0 FGADHM Fc1ccccc1-c1cnc(COc2ccc(-c3nnn[n-]3)c(F)c2)o1 ZINC000737653012 599167452 /nfs/dbraw/zinc/16/74/52/599167452.db2.gz PVQFSBCZSPGZHP-UHFFFAOYSA-N -1 3 355.304 3.379 20 0 FGADHM Fc1ccccc1-c1cnc(COc2ccc(-c3nn[n-]n3)c(F)c2)o1 ZINC000737653012 599167455 /nfs/dbraw/zinc/16/74/55/599167455.db2.gz PVQFSBCZSPGZHP-UHFFFAOYSA-N -1 3 355.304 3.379 20 0 FGADHM CCSc1ccccc1C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000821460858 599168960 /nfs/dbraw/zinc/16/89/60/599168960.db2.gz FLLPBBCVKOXFFA-UHFFFAOYSA-N -1 3 357.414 3.048 20 0 FGADHM CCSc1ccccc1C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000821460858 599168962 /nfs/dbraw/zinc/16/89/62/599168962.db2.gz FLLPBBCVKOXFFA-UHFFFAOYSA-N -1 3 357.414 3.048 20 0 FGADHM CC(C)(C(=O)NCc1cc(-c2nnn[n-]2)ccc1F)c1ccccc1Cl ZINC000819892129 599172976 /nfs/dbraw/zinc/17/29/76/599172976.db2.gz VUTUAUAEJOHYKI-UHFFFAOYSA-N -1 3 373.819 3.253 20 0 FGADHM CC(C)(C(=O)NCc1cc(-c2nn[n-]n2)ccc1F)c1ccccc1Cl ZINC000819892129 599172979 /nfs/dbraw/zinc/17/29/79/599172979.db2.gz VUTUAUAEJOHYKI-UHFFFAOYSA-N -1 3 373.819 3.253 20 0 FGADHM CCCc1ncc(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)s1 ZINC000736496026 599183126 /nfs/dbraw/zinc/18/31/26/599183126.db2.gz XYABEGXIYODATO-UHFFFAOYSA-N -1 3 370.482 3.327 20 0 FGADHM CCCc1ncc(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)s1 ZINC000736496026 599183127 /nfs/dbraw/zinc/18/31/27/599183127.db2.gz XYABEGXIYODATO-UHFFFAOYSA-N -1 3 370.482 3.327 20 0 FGADHM CN(C(=O)[C@@H]1CCSc2ccccc21)c1ccc(-c2nnn[n-]2)cc1F ZINC000736731078 599186374 /nfs/dbraw/zinc/18/63/74/599186374.db2.gz GLSSKHSVBYGTLD-CYBMUJFWSA-N -1 3 369.425 3.248 20 0 FGADHM CN(C(=O)[C@@H]1CCSc2ccccc21)c1ccc(-c2nn[n-]n2)cc1F ZINC000736731078 599186375 /nfs/dbraw/zinc/18/63/75/599186375.db2.gz GLSSKHSVBYGTLD-CYBMUJFWSA-N -1 3 369.425 3.248 20 0 FGADHM CCC[C@H]1[C@H](C)CCCN1C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000821033689 599194152 /nfs/dbraw/zinc/19/41/52/599194152.db2.gz DJTLDNOZCKRMJL-CJNGLKHVSA-N -1 3 359.499 3.386 20 0 FGADHM CCC[C@H]1[C@H](C)CCCN1C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000821033689 599194154 /nfs/dbraw/zinc/19/41/54/599194154.db2.gz DJTLDNOZCKRMJL-CJNGLKHVSA-N -1 3 359.499 3.386 20 0 FGADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)N1CCC(C2CCCC2)CC1 ZINC000822974707 599193216 /nfs/dbraw/zinc/19/32/16/599193216.db2.gz ZPUFLGFYINXFFV-UHFFFAOYSA-N -1 3 353.470 3.228 20 0 FGADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)N1CCC(C2CCCC2)CC1 ZINC000822974707 599193217 /nfs/dbraw/zinc/19/32/17/599193217.db2.gz ZPUFLGFYINXFFV-UHFFFAOYSA-N -1 3 353.470 3.228 20 0 FGADHM CCC[C@@H]1[C@@H](C)CCCN1C(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000821034054 599195506 /nfs/dbraw/zinc/19/55/06/599195506.db2.gz ICSWKGMKHUUEMH-GRDNDAEWSA-N -1 3 357.458 3.061 20 0 FGADHM Cc1cc(F)cc2[nH]c(C(=O)N(C)Cc3ccc(-c4nnn[n-]4)cc3)cc21 ZINC000737264588 599200976 /nfs/dbraw/zinc/20/09/76/599200976.db2.gz SWVZYXYRPFTTEE-UHFFFAOYSA-N -1 3 364.384 3.068 20 0 FGADHM Cc1cc(F)cc2[nH]c(C(=O)N(C)Cc3ccc(-c4nn[n-]n4)cc3)cc21 ZINC000737264588 599200978 /nfs/dbraw/zinc/20/09/78/599200978.db2.gz SWVZYXYRPFTTEE-UHFFFAOYSA-N -1 3 364.384 3.068 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1nc(-c2ccccn2)nc2c1CCC2 ZINC000737220582 599204540 /nfs/dbraw/zinc/20/45/40/599204540.db2.gz FQCKUKWPRLQDDX-UHFFFAOYSA-N -1 3 371.404 3.308 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1nc(-c2ccccn2)nc2c1CCC2 ZINC000737220582 599204543 /nfs/dbraw/zinc/20/45/43/599204543.db2.gz FQCKUKWPRLQDDX-UHFFFAOYSA-N -1 3 371.404 3.308 20 0 FGADHM CCS[C@@H]1CC[C@@H](N(C)C(=O)C=Cc2ccccc2-c2nnn[n-]2)C1 ZINC000821447011 599212464 /nfs/dbraw/zinc/21/24/64/599212464.db2.gz HAOLDPWZUTWBFF-UHUXCJHTSA-N -1 3 357.483 3.013 20 0 FGADHM CCS[C@@H]1CC[C@@H](N(C)C(=O)C=Cc2ccccc2-c2nn[n-]n2)C1 ZINC000821447011 599212467 /nfs/dbraw/zinc/21/24/67/599212467.db2.gz HAOLDPWZUTWBFF-UHUXCJHTSA-N -1 3 357.483 3.013 20 0 FGADHM COCCOC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000737006128 599216356 /nfs/dbraw/zinc/21/63/56/599216356.db2.gz OFHIBBSBVGZYFO-UHFFFAOYSA-N -1 3 374.784 3.116 20 0 FGADHM COCCOC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000737006128 599216358 /nfs/dbraw/zinc/21/63/58/599216358.db2.gz OFHIBBSBVGZYFO-UHFFFAOYSA-N -1 3 374.784 3.116 20 0 FGADHM CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)c2ccc(-c3nnn[n-]3)cn2)o1 ZINC000821481988 599220773 /nfs/dbraw/zinc/22/07/73/599220773.db2.gz PCKDEMHJRNASFT-MLGOLLRUSA-N -1 3 366.425 3.031 20 0 FGADHM CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)c2ccc(-c3nn[n-]n3)cn2)o1 ZINC000821481988 599220774 /nfs/dbraw/zinc/22/07/74/599220774.db2.gz PCKDEMHJRNASFT-MLGOLLRUSA-N -1 3 366.425 3.031 20 0 FGADHM C[C@H]1CN(C(=O)c2sccc2-c2nnn[n-]2)CC[C@H]1c1ccccc1 ZINC000736295144 599222705 /nfs/dbraw/zinc/22/27/05/599222705.db2.gz YURFZEGOSTYZPS-GXTWGEPZSA-N -1 3 353.451 3.194 20 0 FGADHM C[C@H]1CN(C(=O)c2sccc2-c2nn[n-]n2)CC[C@H]1c1ccccc1 ZINC000736295144 599222708 /nfs/dbraw/zinc/22/27/08/599222708.db2.gz YURFZEGOSTYZPS-GXTWGEPZSA-N -1 3 353.451 3.194 20 0 FGADHM C[C@@H]1CN(C(=O)Cc2ccc(-c3nnn[n-]3)cc2)CC[C@@H]1c1ccccc1 ZINC000736281168 599222770 /nfs/dbraw/zinc/22/27/70/599222770.db2.gz SFCLSHYRCGXBCG-BEFAXECRSA-N -1 3 361.449 3.061 20 0 FGADHM C[C@@H]1CN(C(=O)Cc2ccc(-c3nn[n-]n3)cc2)CC[C@@H]1c1ccccc1 ZINC000736281168 599222772 /nfs/dbraw/zinc/22/27/72/599222772.db2.gz SFCLSHYRCGXBCG-BEFAXECRSA-N -1 3 361.449 3.061 20 0 FGADHM O=C(C=Cc1ccnc(Cl)c1)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000822935694 607263197 /nfs/dbraw/zinc/26/31/97/607263197.db2.gz MFIFHTIPLZQSMT-DAFODLJHSA-N -1 3 361.192 3.220 20 0 FGADHM O=C(C=Cc1ccnc(Cl)c1)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000822935694 607263198 /nfs/dbraw/zinc/26/31/98/607263198.db2.gz MFIFHTIPLZQSMT-DAFODLJHSA-N -1 3 361.192 3.220 20 0 FGADHM O=C(C=Cc1ccnc(Cl)c1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000822937020 607263373 /nfs/dbraw/zinc/26/33/73/607263373.db2.gz YRFBHWWZQKTXAV-DAFODLJHSA-N -1 3 361.192 3.220 20 0 FGADHM O=C(C=Cc1ccnc(Cl)c1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000822937020 607263374 /nfs/dbraw/zinc/26/33/74/607263374.db2.gz YRFBHWWZQKTXAV-DAFODLJHSA-N -1 3 361.192 3.220 20 0 FGADHM C[C@@H]1C[C@@H](NC(=O)Nc2ccccc2CC(=O)[O-])CN1Cc1ccccc1 ZINC000398035691 596979828 /nfs/dbraw/zinc/97/98/28/596979828.db2.gz NAKFIOUDHNFGGX-CRAIPNDOSA-N -1 3 367.449 3.098 20 0 FGADHM Cc1cccc(C)c1OCCC(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000822299503 607268374 /nfs/dbraw/zinc/26/83/74/607268374.db2.gz LCOIWTAUMRZAJW-UHFFFAOYSA-N -1 3 351.410 3.200 20 0 FGADHM Cc1cccc(C)c1OCCC(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000822299503 607268375 /nfs/dbraw/zinc/26/83/75/607268375.db2.gz LCOIWTAUMRZAJW-UHFFFAOYSA-N -1 3 351.410 3.200 20 0 FGADHM CCc1ccc(NC(=S)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821487507 599238482 /nfs/dbraw/zinc/23/84/82/599238482.db2.gz VKEWPKJMPZDLMK-LBPRGKRZSA-N -1 3 352.467 3.477 20 0 FGADHM CCc1ccc(NC(=S)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821487507 599238484 /nfs/dbraw/zinc/23/84/84/599238484.db2.gz VKEWPKJMPZDLMK-LBPRGKRZSA-N -1 3 352.467 3.477 20 0 FGADHM CCc1cccc2c(CC(=O)Nc3cccc(-c4nnn[n-]4)c3C)c[nH]c21 ZINC000821492846 607267581 /nfs/dbraw/zinc/26/75/81/607267581.db2.gz XCVFWVIOYQFPFV-UHFFFAOYSA-N -1 3 360.421 3.400 20 0 FGADHM CCc1cccc2c(CC(=O)Nc3cccc(-c4nn[n-]n4)c3C)c[nH]c21 ZINC000821492846 607267582 /nfs/dbraw/zinc/26/75/82/607267582.db2.gz XCVFWVIOYQFPFV-UHFFFAOYSA-N -1 3 360.421 3.400 20 0 FGADHM Cc1c(NC(=O)CCCOCc2ccccc2)cccc1-c1nnn[n-]1 ZINC000822067013 607270468 /nfs/dbraw/zinc/27/04/68/607270468.db2.gz HQYPCFODSSEWEF-UHFFFAOYSA-N -1 3 351.410 3.111 20 0 FGADHM Cc1c(NC(=O)CCCOCc2ccccc2)cccc1-c1nn[n-]n1 ZINC000822067013 607270469 /nfs/dbraw/zinc/27/04/69/607270469.db2.gz HQYPCFODSSEWEF-UHFFFAOYSA-N -1 3 351.410 3.111 20 0 FGADHM Cc1c(NC(=O)c2ccc(Br)cc2)cccc1-c1nnn[n-]1 ZINC000822109490 607271666 /nfs/dbraw/zinc/27/16/66/607271666.db2.gz RKEGZOQYPSJOTP-UHFFFAOYSA-N -1 3 358.199 3.190 20 0 FGADHM Cc1c(NC(=O)c2ccc(Br)cc2)cccc1-c1nn[n-]n1 ZINC000822109490 607271667 /nfs/dbraw/zinc/27/16/67/607271667.db2.gz RKEGZOQYPSJOTP-UHFFFAOYSA-N -1 3 358.199 3.190 20 0 FGADHM Cc1c(NC(=O)CCCOCCc2ccccc2)cccc1-c1nnn[n-]1 ZINC000822067578 607268901 /nfs/dbraw/zinc/26/89/01/607268901.db2.gz LEGPPSGCEMLDCV-UHFFFAOYSA-N -1 3 365.437 3.153 20 0 FGADHM Cc1c(NC(=O)CCCOCCc2ccccc2)cccc1-c1nn[n-]n1 ZINC000822067578 607268902 /nfs/dbraw/zinc/26/89/02/607268902.db2.gz LEGPPSGCEMLDCV-UHFFFAOYSA-N -1 3 365.437 3.153 20 0 FGADHM Cc1cccc2c(CCNC(=O)Nc3cccc(-c4nnn[n-]4)c3)c[nH]c21 ZINC000822331565 599246106 /nfs/dbraw/zinc/24/61/06/599246106.db2.gz HSABHVALNSVYSF-UHFFFAOYSA-N -1 3 361.409 3.021 20 0 FGADHM Cc1cccc2c(CCNC(=O)Nc3cccc(-c4nn[n-]n4)c3)c[nH]c21 ZINC000822331565 599246109 /nfs/dbraw/zinc/24/61/09/599246109.db2.gz HSABHVALNSVYSF-UHFFFAOYSA-N -1 3 361.409 3.021 20 0 FGADHM O=C(C[C@@H]1CCOc2ccccc21)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737817864 599247385 /nfs/dbraw/zinc/24/73/85/599247385.db2.gz FBAKQYYYMOFMGC-NSHDSACASA-N -1 3 369.812 3.415 20 0 FGADHM O=C(C[C@@H]1CCOc2ccccc21)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737817864 599247388 /nfs/dbraw/zinc/24/73/88/599247388.db2.gz FBAKQYYYMOFMGC-NSHDSACASA-N -1 3 369.812 3.415 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C=Cc1ccnc2ccccc12 ZINC000737056374 599248795 /nfs/dbraw/zinc/24/87/95/599248795.db2.gz DFNGMVFHISYPBE-CLFYSBASSA-N -1 3 372.388 3.075 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C=Cc1ccnc2ccccc12 ZINC000737056374 599248797 /nfs/dbraw/zinc/24/87/97/599248797.db2.gz DFNGMVFHISYPBE-CLFYSBASSA-N -1 3 372.388 3.075 20 0 FGADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)Nc1cc(Cl)ccc1F ZINC000823237982 599250627 /nfs/dbraw/zinc/25/06/27/599250627.db2.gz GOTXVLHKGHBWES-UHFFFAOYSA-N -1 3 364.743 3.120 20 0 FGADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)Nc1cc(Cl)ccc1F ZINC000823237982 599250630 /nfs/dbraw/zinc/25/06/30/599250630.db2.gz GOTXVLHKGHBWES-UHFFFAOYSA-N -1 3 364.743 3.120 20 0 FGADHM C[C@H](NCc1ccc(C(=O)[O-])cc1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000818052963 597244191 /nfs/dbraw/zinc/24/41/91/597244191.db2.gz LCFOZUOPTIJIPY-NSHDSACASA-N -1 3 369.389 3.232 20 0 FGADHM CCO[C@H]1C[C@@H](NC(=O)Nc2cccc(-c3nnn[n-]3)c2C)C12CCCC2 ZINC000821357598 607281823 /nfs/dbraw/zinc/28/18/23/607281823.db2.gz FFHFHQZMNMPBIB-CVEARBPZSA-N -1 3 370.457 3.034 20 0 FGADHM CCO[C@H]1C[C@@H](NC(=O)Nc2cccc(-c3nn[n-]n3)c2C)C12CCCC2 ZINC000821357598 607281824 /nfs/dbraw/zinc/28/18/24/607281824.db2.gz FFHFHQZMNMPBIB-CVEARBPZSA-N -1 3 370.457 3.034 20 0 FGADHM Cc1cc(C)c(NC(=O)CNc2cccc(Cl)c2-c2nnn[n-]2)c(C)c1 ZINC000822194147 599253473 /nfs/dbraw/zinc/25/34/73/599253473.db2.gz KVUNICITODLVAC-UHFFFAOYSA-N -1 3 370.844 3.496 20 0 FGADHM Cc1cc(C)c(NC(=O)CNc2cccc(Cl)c2-c2nn[n-]n2)c(C)c1 ZINC000822194147 599253474 /nfs/dbraw/zinc/25/34/74/599253474.db2.gz KVUNICITODLVAC-UHFFFAOYSA-N -1 3 370.844 3.496 20 0 FGADHM COc1ccc(F)cc1[C@H](C)NC(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821828591 607288847 /nfs/dbraw/zinc/28/88/47/607288847.db2.gz ZGXLFZNHIIPFQR-NSHDSACASA-N -1 3 370.388 3.206 20 0 FGADHM COc1ccc(F)cc1[C@H](C)NC(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821828591 607288848 /nfs/dbraw/zinc/28/88/48/607288848.db2.gz ZGXLFZNHIIPFQR-NSHDSACASA-N -1 3 370.388 3.206 20 0 FGADHM CCOc1cc(C)ccc1CNC(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821394860 607283762 /nfs/dbraw/zinc/28/37/62/607283762.db2.gz OTDUSJWKXPASEO-UHFFFAOYSA-N -1 3 366.425 3.204 20 0 FGADHM CCOc1cc(C)ccc1CNC(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821394860 607283763 /nfs/dbraw/zinc/28/37/63/607283763.db2.gz OTDUSJWKXPASEO-UHFFFAOYSA-N -1 3 366.425 3.204 20 0 FGADHM Cc1c(NC(=O)NCCSCc2ccccc2)cccc1-c1nnn[n-]1 ZINC000822095570 607285825 /nfs/dbraw/zinc/28/58/25/607285825.db2.gz DYQMDJWOBYHPIK-UHFFFAOYSA-N -1 3 368.466 3.230 20 0 FGADHM Cc1c(NC(=O)NCCSCc2ccccc2)cccc1-c1nn[n-]n1 ZINC000822095570 607285826 /nfs/dbraw/zinc/28/58/26/607285826.db2.gz DYQMDJWOBYHPIK-UHFFFAOYSA-N -1 3 368.466 3.230 20 0 FGADHM CCC(CC)N(CC(C)C)C(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000820897369 607301944 /nfs/dbraw/zinc/30/19/44/607301944.db2.gz BLAJPOAZLSTDFL-UHFFFAOYSA-N -1 3 350.854 3.202 20 0 FGADHM CCC(CC)N(CC(C)C)C(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000820897369 607301945 /nfs/dbraw/zinc/30/19/45/607301945.db2.gz BLAJPOAZLSTDFL-UHFFFAOYSA-N -1 3 350.854 3.202 20 0 FGADHM Cc1c(NC(=O)CCc2ccc([C@H]3C[C@H]3C)o2)cccc1-c1nnn[n-]1 ZINC000822066686 607296796 /nfs/dbraw/zinc/29/67/96/607296796.db2.gz HDVNQEIROGIQEI-ABAIWWIYSA-N -1 3 351.410 3.463 20 0 FGADHM Cc1c(NC(=O)CCc2ccc([C@H]3C[C@H]3C)o2)cccc1-c1nn[n-]n1 ZINC000822066686 607296797 /nfs/dbraw/zinc/29/67/97/607296797.db2.gz HDVNQEIROGIQEI-ABAIWWIYSA-N -1 3 351.410 3.463 20 0 FGADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)N(CC(F)(F)F)c1ccccc1 ZINC000737954734 599260509 /nfs/dbraw/zinc/26/05/09/599260509.db2.gz RAURJBMQQAZRRB-UHFFFAOYSA-N -1 3 361.327 3.005 20 0 FGADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)N(CC(F)(F)F)c1ccccc1 ZINC000737954734 599260511 /nfs/dbraw/zinc/26/05/11/599260511.db2.gz RAURJBMQQAZRRB-UHFFFAOYSA-N -1 3 361.327 3.005 20 0 FGADHM O[C@H]1CCCC[C@H]1CCCNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000823705588 607306620 /nfs/dbraw/zinc/30/66/20/607306620.db2.gz HITJYZLWSLCXCD-JQWIXIFHSA-N -1 3 370.379 3.024 20 0 FGADHM O[C@H]1CCCC[C@H]1CCCNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000823705588 607306621 /nfs/dbraw/zinc/30/66/21/607306621.db2.gz HITJYZLWSLCXCD-JQWIXIFHSA-N -1 3 370.379 3.024 20 0 FGADHM COc1ccc(CNc2ccccc2OC(F)(F)F)cc1-c1nnn[n-]1 ZINC000821825387 607310861 /nfs/dbraw/zinc/31/08/61/607310861.db2.gz ZKORZNTZHWCLCI-UHFFFAOYSA-N -1 3 365.315 3.386 20 0 FGADHM COc1ccc(CNc2ccccc2OC(F)(F)F)cc1-c1nn[n-]n1 ZINC000821825387 607310862 /nfs/dbraw/zinc/31/08/62/607310862.db2.gz ZKORZNTZHWCLCI-UHFFFAOYSA-N -1 3 365.315 3.386 20 0 FGADHM CC(C)OCCOCc1cccc(NCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000820146312 607313954 /nfs/dbraw/zinc/31/39/54/607313954.db2.gz JUBQLIYIGVMIKE-UHFFFAOYSA-N -1 3 367.453 3.420 20 0 FGADHM CC(C)OCCOCc1cccc(NCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000820146312 607313955 /nfs/dbraw/zinc/31/39/55/607313955.db2.gz JUBQLIYIGVMIKE-UHFFFAOYSA-N -1 3 367.453 3.420 20 0 FGADHM Cc1cc(NCc2ccc(-c3nnn[n-]3)cc2)ccc1N1CCSCC1 ZINC000822209520 607315283 /nfs/dbraw/zinc/31/52/83/607315283.db2.gz MGDPEJIIFJAUDS-UHFFFAOYSA-N -1 3 366.494 3.340 20 0 FGADHM Cc1cc(NCc2ccc(-c3nn[n-]n3)cc2)ccc1N1CCSCC1 ZINC000822209520 607315284 /nfs/dbraw/zinc/31/52/84/607315284.db2.gz MGDPEJIIFJAUDS-UHFFFAOYSA-N -1 3 366.494 3.340 20 0 FGADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N[C@@H](C)c1ccc2c(c1)OCO2 ZINC000737409323 599265538 /nfs/dbraw/zinc/26/55/38/599265538.db2.gz MKFRWWJAFMYFGU-LBPRGKRZSA-N -1 3 374.404 3.047 20 0 FGADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N[C@@H](C)c1ccc2c(c1)OCO2 ZINC000737409323 599265540 /nfs/dbraw/zinc/26/55/40/599265540.db2.gz MKFRWWJAFMYFGU-LBPRGKRZSA-N -1 3 374.404 3.047 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC(C(C)C)CC1 ZINC000821406473 599267116 /nfs/dbraw/zinc/26/71/16/599267116.db2.gz FSLHCQMNXIEMSI-UHFFFAOYSA-N -1 3 358.446 3.165 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC(C(C)C)CC1 ZINC000821406473 599267119 /nfs/dbraw/zinc/26/71/19/599267119.db2.gz FSLHCQMNXIEMSI-UHFFFAOYSA-N -1 3 358.446 3.165 20 0 FGADHM COc1ccc(NC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c(C)c1 ZINC000821832038 599275106 /nfs/dbraw/zinc/27/51/06/599275106.db2.gz XIELGZMTYYTQEI-GFCCVEGCSA-N -1 3 352.398 3.066 20 0 FGADHM COc1ccc(NC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c(C)c1 ZINC000821832038 599275109 /nfs/dbraw/zinc/27/51/09/599275109.db2.gz XIELGZMTYYTQEI-GFCCVEGCSA-N -1 3 352.398 3.066 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)Cc1ccc(C)s1 ZINC000736488982 599279065 /nfs/dbraw/zinc/27/90/65/599279065.db2.gz WRGDDVBJOHXFMN-UHFFFAOYSA-N -1 3 356.455 3.240 20 0 FGADHM C[C@@H](Sc1nnc2[nH]c3ccccc3n21)c1ccc(-c2nnn[n-]2)cc1 ZINC000736191965 599285084 /nfs/dbraw/zinc/28/50/84/599285084.db2.gz KGSIXFWBFOPWLY-SNVBAGLBSA-N -1 3 362.422 3.244 20 0 FGADHM C[C@@H](Sc1nnc2[nH]c3ccccc3n21)c1ccc(-c2nn[n-]n2)cc1 ZINC000736191965 599285086 /nfs/dbraw/zinc/28/50/86/599285086.db2.gz KGSIXFWBFOPWLY-SNVBAGLBSA-N -1 3 362.422 3.244 20 0 FGADHM C[C@@H](Sc1nc2ccsc2c(=O)n1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736193992 599287803 /nfs/dbraw/zinc/28/78/03/599287803.db2.gz VVLRZQQMCXWSEP-SECBINFHSA-N -1 3 370.463 3.028 20 0 FGADHM C[C@@H](Sc1nc2ccsc2c(=O)n1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736193992 599287805 /nfs/dbraw/zinc/28/78/05/599287805.db2.gz VVLRZQQMCXWSEP-SECBINFHSA-N -1 3 370.463 3.028 20 0 FGADHM C[C@@H](Sc1nnc(N2CCCC2)s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736190296 599289440 /nfs/dbraw/zinc/28/94/40/599289440.db2.gz CQSHRBNEECTZHE-SNVBAGLBSA-N -1 3 359.484 3.172 20 0 FGADHM C[C@@H](Sc1nnc(N2CCCC2)s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736190296 599289443 /nfs/dbraw/zinc/28/94/43/599289443.db2.gz CQSHRBNEECTZHE-SNVBAGLBSA-N -1 3 359.484 3.172 20 0 FGADHM Cc1c(NC(=O)c2ccc3[nH]c(C(F)F)nc3c2)cccc1-c1nn[n-]n1 ZINC000822110207 607322062 /nfs/dbraw/zinc/32/20/62/607322062.db2.gz ZWPWXXAGBOKUOU-UHFFFAOYSA-N -1 3 369.335 3.241 20 0 FGADHM C[C@@H]1CCC[C@H]1NC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820698635 599291006 /nfs/dbraw/zinc/29/10/06/599291006.db2.gz VIGRAJZZHGBIMO-PRHODGIISA-N -1 3 354.336 3.196 20 0 FGADHM C[C@@H]1CCC[C@H]1NC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820698635 599291008 /nfs/dbraw/zinc/29/10/08/599291008.db2.gz VIGRAJZZHGBIMO-PRHODGIISA-N -1 3 354.336 3.196 20 0 FGADHM CCC(CC)n1ccc(Cn2ccc(-c3ccc(-c4nnn[n-]4)cc3)n2)n1 ZINC000820902328 607329272 /nfs/dbraw/zinc/32/92/72/607329272.db2.gz JNRHMIQSSSGVGI-UHFFFAOYSA-N -1 3 362.441 3.336 20 0 FGADHM CCC(CC)n1ccc(Cn2ccc(-c3ccc(-c4nn[n-]n4)cc3)n2)n1 ZINC000820902328 607329273 /nfs/dbraw/zinc/32/92/73/607329273.db2.gz JNRHMIQSSSGVGI-UHFFFAOYSA-N -1 3 362.441 3.336 20 0 FGADHM FC(F)(F)c1ccc(NCc2ccc3c(c2)OCO3)cc1-c1nnn[n-]1 ZINC000822728326 607344889 /nfs/dbraw/zinc/34/48/89/607344889.db2.gz GZNRXTDKNCXKRG-UHFFFAOYSA-N -1 3 363.299 3.226 20 0 FGADHM FC(F)(F)c1ccc(NCc2ccc3c(c2)OCO3)cc1-c1nn[n-]n1 ZINC000822728326 607344891 /nfs/dbraw/zinc/34/48/91/607344891.db2.gz GZNRXTDKNCXKRG-UHFFFAOYSA-N -1 3 363.299 3.226 20 0 FGADHM CCOCCOCc1cccc(CNc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000736624998 598238466 /nfs/dbraw/zinc/23/84/66/598238466.db2.gz HHQQVDYMIZERFK-UHFFFAOYSA-N -1 3 371.416 3.171 20 0 FGADHM CC[C@H](C)NC(=O)c1cccc(CNc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000736327608 598239457 /nfs/dbraw/zinc/23/94/57/598239457.db2.gz RGQHASZPJNUGCF-LBPRGKRZSA-N -1 3 368.416 3.146 20 0 FGADHM Cc1cccc2c1CC[C@H]2NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000737408193 598241549 /nfs/dbraw/zinc/24/15/49/598241549.db2.gz GXYLNMAAXQXXIG-QGZVFWFLSA-N -1 3 365.462 3.071 20 0 FGADHM Cc1cccc2c1CC[C@H]2NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000737408193 598241550 /nfs/dbraw/zinc/24/15/50/598241550.db2.gz GXYLNMAAXQXXIG-QGZVFWFLSA-N -1 3 365.462 3.071 20 0 FGADHM COc1cccc2c1OCC[C@@H]2Nc1c(F)cc(-c2nnn[n-]2)cc1F ZINC000737142982 598248694 /nfs/dbraw/zinc/24/86/94/598248694.db2.gz OFQVATJFISBQNI-ZDUSSCGKSA-N -1 3 359.336 3.089 20 0 FGADHM COc1cccc2c1OCC[C@@H]2Nc1c(F)cc(-c2nn[n-]n2)cc1F ZINC000737142982 598248695 /nfs/dbraw/zinc/24/86/95/598248695.db2.gz OFQVATJFISBQNI-ZDUSSCGKSA-N -1 3 359.336 3.089 20 0 FGADHM C[C@H](c1c(F)cccc1F)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000736199290 598251404 /nfs/dbraw/zinc/25/14/04/598251404.db2.gz WYJOWIDBMLHVPM-CYBMUJFWSA-N -1 3 370.407 3.028 20 0 FGADHM C[C@H](c1c(F)cccc1F)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000736199290 598251405 /nfs/dbraw/zinc/25/14/05/598251405.db2.gz WYJOWIDBMLHVPM-CYBMUJFWSA-N -1 3 370.407 3.028 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@@H]1CCCc2sccc21 ZINC000821388988 607348890 /nfs/dbraw/zinc/34/88/90/607348890.db2.gz DKZOBZDQYMSNKE-CYBMUJFWSA-N -1 3 370.434 3.352 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@@H]1CCCc2sccc21 ZINC000821388988 607348892 /nfs/dbraw/zinc/34/88/92/607348892.db2.gz DKZOBZDQYMSNKE-CYBMUJFWSA-N -1 3 370.434 3.352 20 0 FGADHM C[C@H]1C[C@@H]1CNC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736240450 598266373 /nfs/dbraw/zinc/26/63/73/598266373.db2.gz UYZJXKAAYYICMD-GXTWGEPZSA-N -1 3 364.409 3.437 20 0 FGADHM C[C@H]1C[C@@H]1CNC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736240450 598266376 /nfs/dbraw/zinc/26/63/76/598266376.db2.gz UYZJXKAAYYICMD-GXTWGEPZSA-N -1 3 364.409 3.437 20 0 FGADHM Fc1cccc([C@H]2CCN(C(=S)Nc3ccccc3-c3nnn[n-]3)C2)c1 ZINC000737666512 598278436 /nfs/dbraw/zinc/27/84/36/598278436.db2.gz MANFJNWDBSETSN-ZDUSSCGKSA-N -1 3 368.441 3.192 20 0 FGADHM Fc1cccc([C@H]2CCN(C(=S)Nc3ccccc3-c3nn[n-]n3)C2)c1 ZINC000737666512 598278438 /nfs/dbraw/zinc/27/84/38/598278438.db2.gz MANFJNWDBSETSN-ZDUSSCGKSA-N -1 3 368.441 3.192 20 0 FGADHM CN(C(=O)c1csc(C(C)(C)C)n1)c1ccc(-c2nnn[n-]2)cc1F ZINC000736741909 598278867 /nfs/dbraw/zinc/27/88/67/598278867.db2.gz VPNWASZRVRRPNV-UHFFFAOYSA-N -1 3 360.418 3.036 20 0 FGADHM CN(C(=O)c1csc(C(C)(C)C)n1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736741909 598278869 /nfs/dbraw/zinc/27/88/69/598278869.db2.gz VPNWASZRVRRPNV-UHFFFAOYSA-N -1 3 360.418 3.036 20 0 FGADHM Cc1nc(C(C)(C)C)sc1C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000737468158 598279735 /nfs/dbraw/zinc/27/97/35/598279735.db2.gz NFSVSHQDVMDJSQ-UHFFFAOYSA-N -1 3 374.445 3.345 20 0 FGADHM Cc1nc(C(C)(C)C)sc1C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000737468158 598279736 /nfs/dbraw/zinc/27/97/36/598279736.db2.gz NFSVSHQDVMDJSQ-UHFFFAOYSA-N -1 3 374.445 3.345 20 0 FGADHM CCc1noc(CNc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)n1 ZINC000736714298 598283198 /nfs/dbraw/zinc/28/31/98/598283198.db2.gz WULJZUQBTWDXLU-UHFFFAOYSA-N -1 3 363.381 3.217 20 0 FGADHM C[C@@H](NC(=O)Nc1ccc2scnc2c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736117639 598291930 /nfs/dbraw/zinc/29/19/30/598291930.db2.gz RIPQGCLBCHKCOW-SNVBAGLBSA-N -1 3 365.422 3.359 20 0 FGADHM C[C@@H](NC(=O)Nc1ccc2scnc2c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736117639 598291932 /nfs/dbraw/zinc/29/19/32/598291932.db2.gz RIPQGCLBCHKCOW-SNVBAGLBSA-N -1 3 365.422 3.359 20 0 FGADHM Cc1[nH]c2ccc(C(=O)NCc3ccc(-c4nnn[n-]4)cc3F)cc2c1C ZINC000737199891 598309232 /nfs/dbraw/zinc/30/92/32/598309232.db2.gz PZLBHYXEGJZEKF-UHFFFAOYSA-N -1 3 364.384 3.034 20 0 FGADHM Cc1[nH]c2ccc(C(=O)NCc3ccc(-c4nn[n-]n4)cc3F)cc2c1C ZINC000737199891 598309234 /nfs/dbraw/zinc/30/92/34/598309234.db2.gz PZLBHYXEGJZEKF-UHFFFAOYSA-N -1 3 364.384 3.034 20 0 FGADHM Cc1ccc(OCCC(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)cc1C ZINC000737364916 598310568 /nfs/dbraw/zinc/31/05/68/598310568.db2.gz HTHHEUSDQXBYPY-UHFFFAOYSA-N -1 3 369.400 3.055 20 0 FGADHM Cc1ccc(OCCC(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)cc1C ZINC000737364916 598310570 /nfs/dbraw/zinc/31/05/70/598310570.db2.gz HTHHEUSDQXBYPY-UHFFFAOYSA-N -1 3 369.400 3.055 20 0 FGADHM Cc1cccc(OCCCC(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000737401627 598311851 /nfs/dbraw/zinc/31/18/51/598311851.db2.gz NTOGXSBKESKZRS-UHFFFAOYSA-N -1 3 369.400 3.136 20 0 FGADHM Cc1cccc(OCCCC(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000737401627 598311852 /nfs/dbraw/zinc/31/18/52/598311852.db2.gz NTOGXSBKESKZRS-UHFFFAOYSA-N -1 3 369.400 3.136 20 0 FGADHM CC(C)CN(C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C1CC1 ZINC000735827994 598318071 /nfs/dbraw/zinc/31/80/71/598318071.db2.gz WOAFMMPEHUKWCI-UHFFFAOYSA-N -1 3 350.879 3.337 20 0 FGADHM CC(C)CN(C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C1CC1 ZINC000735827994 598318073 /nfs/dbraw/zinc/31/80/73/598318073.db2.gz WOAFMMPEHUKWCI-UHFFFAOYSA-N -1 3 350.879 3.337 20 0 FGADHM CC(C)CCCCCCNC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000735796833 598323618 /nfs/dbraw/zinc/32/36/18/598323618.db2.gz INOMRBFRFXGDEK-UHFFFAOYSA-N -1 3 362.453 3.412 20 0 FGADHM CC(C)CCCCCCNC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000735796833 598323620 /nfs/dbraw/zinc/32/36/20/598323620.db2.gz INOMRBFRFXGDEK-UHFFFAOYSA-N -1 3 362.453 3.412 20 0 FGADHM CC(C)[C@H]1CC[C@@H](C)C[C@H]1NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000736238342 598325393 /nfs/dbraw/zinc/32/53/93/598325393.db2.gz UWBFGDKCZXVWOW-SRCQZFHVSA-N -1 3 374.464 3.266 20 0 FGADHM CC(C)[C@H]1CC[C@@H](C)C[C@H]1NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000736238342 598325394 /nfs/dbraw/zinc/32/53/94/598325394.db2.gz UWBFGDKCZXVWOW-SRCQZFHVSA-N -1 3 374.464 3.266 20 0 FGADHM CC[C@@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F)c1ccc(C)cc1 ZINC000736361893 598325722 /nfs/dbraw/zinc/32/57/22/598325722.db2.gz IDVYKCHKSAICRL-QGZVFWFLSA-N -1 3 368.416 3.265 20 0 FGADHM CC[C@@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1ccc(C)cc1 ZINC000736361893 598325723 /nfs/dbraw/zinc/32/57/23/598325723.db2.gz IDVYKCHKSAICRL-QGZVFWFLSA-N -1 3 368.416 3.265 20 0 FGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)c1csc(C(C)C)n1 ZINC000735905845 598327035 /nfs/dbraw/zinc/32/70/35/598327035.db2.gz NEVNKMVOAMCKHY-UHFFFAOYSA-N -1 3 372.454 3.486 20 0 FGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)c1csc(C(C)C)n1 ZINC000735905845 598327036 /nfs/dbraw/zinc/32/70/36/598327036.db2.gz NEVNKMVOAMCKHY-UHFFFAOYSA-N -1 3 372.454 3.486 20 0 FGADHM O=C1OC(c2ccc(-c3nnn[n-]3)cc2)=NC1=Cc1ccc(Cl)c(F)c1 ZINC000738318052 598379353 /nfs/dbraw/zinc/37/93/53/598379353.db2.gz IOVDSASFXOFQHM-RIYZIHGNSA-N -1 3 369.743 3.004 20 0 FGADHM O=C1OC(c2ccc(-c3nn[n-]n3)cc2)=NC1=Cc1ccc(Cl)c(F)c1 ZINC000738318052 598379355 /nfs/dbraw/zinc/37/93/55/598379355.db2.gz IOVDSASFXOFQHM-RIYZIHGNSA-N -1 3 369.743 3.004 20 0 FGADHM CO[C@@H](C)c1cccc(NCCCOc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736962784 598395793 /nfs/dbraw/zinc/39/57/93/598395793.db2.gz QJCQERXAECGCDP-AWEZNQCLSA-N -1 3 353.426 3.455 20 0 FGADHM C[C@@H]1c2ccccc2CCN1C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736303500 598398602 /nfs/dbraw/zinc/39/86/02/598398602.db2.gz KMVGFPIMYXOCLG-CYBMUJFWSA-N -1 3 365.462 3.105 20 0 FGADHM C[C@@H]1c2ccccc2CCN1C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736303500 598398603 /nfs/dbraw/zinc/39/86/03/598398603.db2.gz KMVGFPIMYXOCLG-CYBMUJFWSA-N -1 3 365.462 3.105 20 0 FGADHM Cc1cccc(N(C)C(=O)[C@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)c1 ZINC000737397028 598418273 /nfs/dbraw/zinc/41/82/73/598418273.db2.gz RHZQPHBYUHZJIF-GOSISDBHSA-N -1 3 365.437 3.242 20 0 FGADHM Cc1cccc(N(C)C(=O)[C@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)c1 ZINC000737397028 598418275 /nfs/dbraw/zinc/41/82/75/598418275.db2.gz RHZQPHBYUHZJIF-GOSISDBHSA-N -1 3 365.437 3.242 20 0 FGADHM CN(Cc1ccc(F)cc1Cl)C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000736819341 598422541 /nfs/dbraw/zinc/42/25/41/598422541.db2.gz KFWROJAYJCKOGS-UHFFFAOYSA-N -1 3 373.819 3.250 20 0 FGADHM CN(Cc1ccc(F)cc1Cl)C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000736819341 598422542 /nfs/dbraw/zinc/42/25/42/598422542.db2.gz KFWROJAYJCKOGS-UHFFFAOYSA-N -1 3 373.819 3.250 20 0 FGADHM CCSCc1ccc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736664731 598432809 /nfs/dbraw/zinc/43/28/09/598432809.db2.gz CVXFBQZHURBMLI-UHFFFAOYSA-N -1 3 354.435 3.477 20 0 FGADHM CCSCc1ccc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736664731 598432811 /nfs/dbraw/zinc/43/28/11/598432811.db2.gz CVXFBQZHURBMLI-UHFFFAOYSA-N -1 3 354.435 3.477 20 0 FGADHM O=C(NC1(c2ccc(Cl)cc2)CCCC1)c1ccc(-c2nnn[n-]2)cn1 ZINC000738010821 598452199 /nfs/dbraw/zinc/45/21/99/598452199.db2.gz JYJDGCRJGWKNIS-UHFFFAOYSA-N -1 3 368.828 3.114 20 0 FGADHM O=C(NC1(c2ccc(Cl)cc2)CCCC1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738010821 598452200 /nfs/dbraw/zinc/45/22/00/598452200.db2.gz JYJDGCRJGWKNIS-UHFFFAOYSA-N -1 3 368.828 3.114 20 0 FGADHM Fc1ccc([C@@H]2CN(Cc3cccc(-c4nnn[n-]4)c3)CCO2)cc1Cl ZINC000737648335 598461520 /nfs/dbraw/zinc/46/15/20/598461520.db2.gz IUJVISLXVJKPNL-KRWDZBQOSA-N -1 3 373.819 3.233 20 0 FGADHM Fc1ccc([C@@H]2CN(Cc3cccc(-c4nn[n-]n4)c3)CCO2)cc1Cl ZINC000737648335 598461521 /nfs/dbraw/zinc/46/15/21/598461521.db2.gz IUJVISLXVJKPNL-KRWDZBQOSA-N -1 3 373.819 3.233 20 0 FGADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)c1nc(-c2cccc(Cl)c2)no1 ZINC000736817415 598467373 /nfs/dbraw/zinc/46/73/73/598467373.db2.gz XZBXNSGCYUFKLC-UHFFFAOYSA-N -1 3 367.800 3.207 20 0 FGADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)c1nc(-c2cccc(Cl)c2)no1 ZINC000736817415 598467374 /nfs/dbraw/zinc/46/73/74/598467374.db2.gz XZBXNSGCYUFKLC-UHFFFAOYSA-N -1 3 367.800 3.207 20 0 FGADHM Cc1cc(O)c(C(C)C)cc1NC(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000826271113 607357778 /nfs/dbraw/zinc/35/77/78/607357778.db2.gz CQCXXYNYBCACEQ-UHFFFAOYSA-N -1 3 372.816 3.305 20 0 FGADHM Cc1cc(O)c(C(C)C)cc1NC(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000826271113 607357780 /nfs/dbraw/zinc/35/77/80/607357780.db2.gz CQCXXYNYBCACEQ-UHFFFAOYSA-N -1 3 372.816 3.305 20 0 FGADHM COc1ccccc1C(C)=CC(=O)OCc1cc(-c2nnn[n-]2)ccc1F ZINC000737143365 598475243 /nfs/dbraw/zinc/47/52/43/598475243.db2.gz VFQDLOOBEHWLQT-FMIVXFBMSA-N -1 3 368.368 3.161 20 0 FGADHM COc1ccccc1C(C)=CC(=O)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000737143365 598475245 /nfs/dbraw/zinc/47/52/45/598475245.db2.gz VFQDLOOBEHWLQT-FMIVXFBMSA-N -1 3 368.368 3.161 20 0 FGADHM COc1ccc([C@H](C)C(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737073438 598485489 /nfs/dbraw/zinc/48/54/89/598485489.db2.gz QLQRVKFSEHPVDA-QWHCGFSZSA-N -1 3 352.394 3.283 20 0 FGADHM COc1ccc([C@H](C)C(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737073438 598485491 /nfs/dbraw/zinc/48/54/91/598485491.db2.gz QLQRVKFSEHPVDA-QWHCGFSZSA-N -1 3 352.394 3.283 20 0 FGADHM C[C@H](Cc1ccc(F)cc1)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736057193 598488351 /nfs/dbraw/zinc/48/83/51/598488351.db2.gz VFLWGPDUKBKJDL-GFCCVEGCSA-N -1 3 370.432 3.380 20 0 FGADHM C[C@H](Cc1ccc(F)cc1)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736057193 598488353 /nfs/dbraw/zinc/48/83/53/598488353.db2.gz VFLWGPDUKBKJDL-GFCCVEGCSA-N -1 3 370.432 3.380 20 0 FGADHM Cc1cccc(CCC(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)c1 ZINC000737392557 598489137 /nfs/dbraw/zinc/48/91/37/598489137.db2.gz YIYTUEPWTJZDRS-UHFFFAOYSA-N -1 3 352.442 3.303 20 0 FGADHM Cc1cccc(CCC(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)c1 ZINC000737392557 598489139 /nfs/dbraw/zinc/48/91/39/598489139.db2.gz YIYTUEPWTJZDRS-UHFFFAOYSA-N -1 3 352.442 3.303 20 0 FGADHM Cc1cc(C)cc(OCC(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000737250204 598489401 /nfs/dbraw/zinc/48/94/01/598489401.db2.gz KGTAEFBSCMYHNF-AWEZNQCLSA-N -1 3 352.394 3.167 20 0 FGADHM Cc1cc(C)cc(OCC(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737250204 598489403 /nfs/dbraw/zinc/48/94/03/598489403.db2.gz KGTAEFBSCMYHNF-AWEZNQCLSA-N -1 3 352.394 3.167 20 0 FGADHM CCc1ccc(OCC(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736691535 598489478 /nfs/dbraw/zinc/48/94/78/598489478.db2.gz OZLJWCTXBLVHHZ-CYBMUJFWSA-N -1 3 352.394 3.112 20 0 FGADHM CCc1ccc(OCC(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736691535 598489480 /nfs/dbraw/zinc/48/94/80/598489480.db2.gz OZLJWCTXBLVHHZ-CYBMUJFWSA-N -1 3 352.394 3.112 20 0 FGADHM C[C@@H](Oc1ccc(F)cc1)C(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000736175643 598492080 /nfs/dbraw/zinc/49/20/80/598492080.db2.gz QNKGTBIORJWMEF-VXGBXAGGSA-N -1 3 356.357 3.078 20 0 FGADHM C[C@@H](Oc1ccc(F)cc1)C(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000736175643 598492082 /nfs/dbraw/zinc/49/20/82/598492082.db2.gz QNKGTBIORJWMEF-VXGBXAGGSA-N -1 3 356.357 3.078 20 0 FGADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)NCCCCCc1ccccc1 ZINC000737851839 598496547 /nfs/dbraw/zinc/49/65/47/598496547.db2.gz KJNNNJTWUXGJFS-UHFFFAOYSA-N -1 3 363.465 3.329 20 0 FGADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)NCCCCCc1ccccc1 ZINC000737851839 598496549 /nfs/dbraw/zinc/49/65/49/598496549.db2.gz KJNNNJTWUXGJFS-UHFFFAOYSA-N -1 3 363.465 3.329 20 0 FGADHM O=C(NCCCCCc1ccccc1)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000738052579 598527810 /nfs/dbraw/zinc/52/78/10/598527810.db2.gz ACUQCDAKQQQTLO-UHFFFAOYSA-N -1 3 364.453 3.079 20 0 FGADHM O=C(NCCCCCc1ccccc1)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000738052579 598527812 /nfs/dbraw/zinc/52/78/12/598527812.db2.gz ACUQCDAKQQQTLO-UHFFFAOYSA-N -1 3 364.453 3.079 20 0 FGADHM CCCC[C@H]1CCC[C@@H]1NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC000736440772 598534523 /nfs/dbraw/zinc/53/45/23/598534523.db2.gz GXPGEEOEJLCIRI-JSGCOSHPSA-N -1 3 358.446 3.356 20 0 FGADHM CCCC[C@H]1CCC[C@@H]1NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC000736440772 598534525 /nfs/dbraw/zinc/53/45/25/598534525.db2.gz GXPGEEOEJLCIRI-JSGCOSHPSA-N -1 3 358.446 3.356 20 0 FGADHM CC1(CNC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)CCCC1 ZINC000736216472 598543389 /nfs/dbraw/zinc/54/33/89/598543389.db2.gz JQXCSCPJLYJTMM-UHFFFAOYSA-N -1 3 366.372 3.170 20 0 FGADHM CC1(CNC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)CCCC1 ZINC000736216472 598543391 /nfs/dbraw/zinc/54/33/91/598543391.db2.gz JQXCSCPJLYJTMM-UHFFFAOYSA-N -1 3 366.372 3.170 20 0 FGADHM O=C(Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1)c1ccncc1 ZINC000738171567 598544774 /nfs/dbraw/zinc/54/47/74/598544774.db2.gz GGVLNGJWEBXXLP-UHFFFAOYSA-N -1 3 372.388 3.093 20 0 FGADHM O=C(Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1)c1ccncc1 ZINC000738171567 598544775 /nfs/dbraw/zinc/54/47/75/598544775.db2.gz GGVLNGJWEBXXLP-UHFFFAOYSA-N -1 3 372.388 3.093 20 0 FGADHM Cc1ccc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)cc1F ZINC000737315368 598546502 /nfs/dbraw/zinc/54/65/02/598546502.db2.gz NBRGEUPVTBMECT-UHFFFAOYSA-N -1 3 363.299 3.168 20 0 FGADHM Cc1ccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)cc1F ZINC000737315368 598546504 /nfs/dbraw/zinc/54/65/04/598546504.db2.gz NBRGEUPVTBMECT-UHFFFAOYSA-N -1 3 363.299 3.168 20 0 FGADHM Cc1cc2ccccc2n1CC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737284285 598550105 /nfs/dbraw/zinc/55/01/05/598550105.db2.gz IICISZWDKYFHII-UHFFFAOYSA-N -1 3 366.812 3.422 20 0 FGADHM Cc1cc2ccccc2n1CC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737284285 598550106 /nfs/dbraw/zinc/55/01/06/598550106.db2.gz IICISZWDKYFHII-UHFFFAOYSA-N -1 3 366.812 3.422 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)c1ccccc1OCC(C)C ZINC000737025349 598552107 /nfs/dbraw/zinc/55/21/07/598552107.db2.gz PLQIXIVRYRAOCC-UHFFFAOYSA-N -1 3 368.393 3.129 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)c1ccccc1OCC(C)C ZINC000737025349 598552108 /nfs/dbraw/zinc/55/21/08/598552108.db2.gz PLQIXIVRYRAOCC-UHFFFAOYSA-N -1 3 368.393 3.129 20 0 FGADHM CCO[C@@H](C)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736619049 598552856 /nfs/dbraw/zinc/55/28/56/598552856.db2.gz WXOWEFMBLHKFJI-LBPRGKRZSA-N -1 3 353.382 3.023 20 0 FGADHM CCO[C@@H](C)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736619049 598552857 /nfs/dbraw/zinc/55/28/57/598552857.db2.gz WXOWEFMBLHKFJI-LBPRGKRZSA-N -1 3 353.382 3.023 20 0 FGADHM O=C(C[C@@H]1CCCO1)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737824719 598555491 /nfs/dbraw/zinc/55/54/91/598555491.db2.gz ZMCJIRQVSVHDGY-INIZCTEOSA-N -1 3 365.393 3.167 20 0 FGADHM O=C(C[C@@H]1CCCO1)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737824719 598555493 /nfs/dbraw/zinc/55/54/93/598555493.db2.gz ZMCJIRQVSVHDGY-INIZCTEOSA-N -1 3 365.393 3.167 20 0 FGADHM CCC[C@H](CC)NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000736423784 598558634 /nfs/dbraw/zinc/55/86/34/598558634.db2.gz OGBHBNPPRFCFRS-JTQLQIEISA-N -1 3 354.361 3.168 20 0 FGADHM CCC[C@H](CC)NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000736423784 598558635 /nfs/dbraw/zinc/55/86/35/598558635.db2.gz OGBHBNPPRFCFRS-JTQLQIEISA-N -1 3 354.361 3.168 20 0 FGADHM C[C@@H]1CCCC[C@@H]1NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000736273795 598560367 /nfs/dbraw/zinc/56/03/67/598560367.db2.gz RUCLSHLCBSVUIR-KOLCDFICSA-N -1 3 366.372 3.168 20 0 FGADHM C[C@@H]1CCCC[C@@H]1NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000736273795 598560369 /nfs/dbraw/zinc/56/03/69/598560369.db2.gz RUCLSHLCBSVUIR-KOLCDFICSA-N -1 3 366.372 3.168 20 0 FGADHM CC[C@H](NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)C(C)C ZINC000736360992 598560567 /nfs/dbraw/zinc/56/05/67/598560567.db2.gz FFKFTQJNSYJHMH-JTQLQIEISA-N -1 3 354.361 3.024 20 0 FGADHM CC[C@H](NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)C(C)C ZINC000736360992 598560568 /nfs/dbraw/zinc/56/05/68/598560568.db2.gz FFKFTQJNSYJHMH-JTQLQIEISA-N -1 3 354.361 3.024 20 0 FGADHM CCC[C@H](C)N(C)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000736424408 598560573 /nfs/dbraw/zinc/56/05/73/598560573.db2.gz RCGGNHKZAJYLHT-VIFPVBQESA-N -1 3 354.361 3.120 20 0 FGADHM CCC[C@H](C)N(C)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000736424408 598560574 /nfs/dbraw/zinc/56/05/74/598560574.db2.gz RCGGNHKZAJYLHT-VIFPVBQESA-N -1 3 354.361 3.120 20 0 FGADHM COc1ccc2c(c1)CCC[C@@H]2CC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000737113274 598571976 /nfs/dbraw/zinc/57/19/76/598571976.db2.gz BANONOIQMDLHRT-CQSZACIVSA-N -1 3 363.421 3.324 20 0 FGADHM COc1ccc2c(c1)CCC[C@@H]2CC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000737113274 598571977 /nfs/dbraw/zinc/57/19/77/598571977.db2.gz BANONOIQMDLHRT-CQSZACIVSA-N -1 3 363.421 3.324 20 0 FGADHM FC(F)(F)c1cc(NCc2cn3ccccc3n2)ccc1-c1nnn[n-]1 ZINC000737631023 598572524 /nfs/dbraw/zinc/57/25/24/598572524.db2.gz BHDXBMYYZQVYBT-UHFFFAOYSA-N -1 3 359.315 3.145 20 0 FGADHM FC(F)(F)c1cc(NCc2cn3ccccc3n2)ccc1-c1nn[n-]n1 ZINC000737631023 598572529 /nfs/dbraw/zinc/57/25/29/598572529.db2.gz BHDXBMYYZQVYBT-UHFFFAOYSA-N -1 3 359.315 3.145 20 0 FGADHM CCCCCC[C@@H](C)NC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000736447225 598580481 /nfs/dbraw/zinc/58/04/81/598580481.db2.gz SEHCOKITROQJBY-QAPCUYQASA-N -1 3 370.501 3.311 20 0 FGADHM Clc1cccc(Cc2noc(COc3cccc(-c4nnn[n-]4)c3)n2)c1 ZINC000737573215 598582279 /nfs/dbraw/zinc/58/22/79/598582279.db2.gz BZHLWKQAUXUGBH-UHFFFAOYSA-N -1 3 368.784 3.073 20 0 FGADHM Clc1cccc(Cc2noc(COc3cccc(-c4nn[n-]n4)c3)n2)c1 ZINC000737573215 598582280 /nfs/dbraw/zinc/58/22/80/598582280.db2.gz BZHLWKQAUXUGBH-UHFFFAOYSA-N -1 3 368.784 3.073 20 0 FGADHM CCN(c1ccc(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1)C(C)C ZINC000736565386 598583311 /nfs/dbraw/zinc/58/33/11/598583311.db2.gz VFNMEOCBTAPSTH-UHFFFAOYSA-N -1 3 368.416 3.493 20 0 FGADHM CCN(c1ccc(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1)C(C)C ZINC000736565386 598583313 /nfs/dbraw/zinc/58/33/13/598583313.db2.gz VFNMEOCBTAPSTH-UHFFFAOYSA-N -1 3 368.416 3.493 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)[C@H]1C[C@H]1c1cccc(Cl)c1 ZINC000738164418 598584131 /nfs/dbraw/zinc/58/41/31/598584131.db2.gz ZJHRPDQRRNZYMF-STQMWFEESA-N -1 3 357.776 3.401 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)[C@H]1C[C@H]1c1cccc(Cl)c1 ZINC000738164418 598584132 /nfs/dbraw/zinc/58/41/32/598584132.db2.gz ZJHRPDQRRNZYMF-STQMWFEESA-N -1 3 357.776 3.401 20 0 FGADHM C[C@H](SCc1ccccc1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736192036 598585631 /nfs/dbraw/zinc/58/56/31/598585631.db2.gz KEDCPAUZYXITHC-NSHDSACASA-N -1 3 357.414 3.266 20 0 FGADHM C[C@H](SCc1ccccc1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736192036 598585632 /nfs/dbraw/zinc/58/56/32/598585632.db2.gz KEDCPAUZYXITHC-NSHDSACASA-N -1 3 357.414 3.266 20 0 FGADHM C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736191181 598585759 /nfs/dbraw/zinc/58/57/59/598585759.db2.gz XXAUFVFAADRLDI-VIFPVBQESA-N -1 3 361.764 3.065 20 0 FGADHM C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736191181 598585760 /nfs/dbraw/zinc/58/57/60/598585760.db2.gz XXAUFVFAADRLDI-VIFPVBQESA-N -1 3 361.764 3.065 20 0 FGADHM CC(C)c1cccc(OCC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000735933401 598585875 /nfs/dbraw/zinc/58/58/75/598585875.db2.gz VYILXVWUPCURNA-UHFFFAOYSA-N -1 3 355.373 3.147 20 0 FGADHM CC(C)c1cccc(OCC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000735933401 598585877 /nfs/dbraw/zinc/58/58/77/598585877.db2.gz VYILXVWUPCURNA-UHFFFAOYSA-N -1 3 355.373 3.147 20 0 FGADHM O=C(c1cccc(-c2nnn[n-]2)c1)N1CCCc2cc(Cl)cc(F)c21 ZINC000738266651 598588712 /nfs/dbraw/zinc/58/87/12/598588712.db2.gz IJZIYTUMIQGZSY-UHFFFAOYSA-N -1 3 357.776 3.252 20 0 FGADHM O=C(c1cccc(-c2nn[n-]n2)c1)N1CCCc2cc(Cl)cc(F)c21 ZINC000738266651 598588715 /nfs/dbraw/zinc/58/87/15/598588715.db2.gz IJZIYTUMIQGZSY-UHFFFAOYSA-N -1 3 357.776 3.252 20 0 FGADHM O=C(CSc1ccc(F)c(F)c1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737947881 598589635 /nfs/dbraw/zinc/58/96/35/598589635.db2.gz RFWKLCGWJSUNOK-UHFFFAOYSA-N -1 3 365.340 3.015 20 0 FGADHM O=C(CSc1ccc(F)c(F)c1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737947881 598589637 /nfs/dbraw/zinc/58/96/37/598589637.db2.gz RFWKLCGWJSUNOK-UHFFFAOYSA-N -1 3 365.340 3.015 20 0 FGADHM Cc1ccc(C(C)C)cc1OCC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737317934 598590813 /nfs/dbraw/zinc/59/08/13/598590813.db2.gz QLLQNTADESTXOA-UHFFFAOYSA-N -1 3 369.400 3.455 20 0 FGADHM Cc1ccc(C(C)C)cc1OCC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737317934 598590815 /nfs/dbraw/zinc/59/08/15/598590815.db2.gz QLLQNTADESTXOA-UHFFFAOYSA-N -1 3 369.400 3.455 20 0 FGADHM CCC[C@H](NC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1)C1CCCCC1 ZINC000736425181 598593448 /nfs/dbraw/zinc/59/34/48/598593448.db2.gz DTRPCNDHHZJRPO-KDOFPFPSSA-N -1 3 371.485 3.499 20 0 FGADHM Cc1ccccc1C[C@@H](C)NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737425572 598628158 /nfs/dbraw/zinc/62/81/58/598628158.db2.gz ASTQWABFMPXYAR-GFCCVEGCSA-N -1 3 354.389 3.067 20 0 FGADHM Cc1ccccc1C[C@@H](C)NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737425572 598628160 /nfs/dbraw/zinc/62/81/60/598628160.db2.gz ASTQWABFMPXYAR-GFCCVEGCSA-N -1 3 354.389 3.067 20 0 FGADHM C[C@H](c1ccccc1F)N(C)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736204028 598628673 /nfs/dbraw/zinc/62/86/73/598628673.db2.gz PKYINIXJZMLNGP-SNVBAGLBSA-N -1 3 358.352 3.370 20 0 FGADHM C[C@H](c1ccccc1F)N(C)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736204028 598628674 /nfs/dbraw/zinc/62/86/74/598628674.db2.gz PKYINIXJZMLNGP-SNVBAGLBSA-N -1 3 358.352 3.370 20 0 FGADHM Clc1ccc(-c2nnn[n-]2)c(NCCCn2cnc3ccccc32)c1 ZINC000737570643 598630443 /nfs/dbraw/zinc/63/04/43/598630443.db2.gz JKDFHLWAILUXKR-UHFFFAOYSA-N -1 3 353.817 3.372 20 0 FGADHM Clc1ccc(-c2nn[n-]n2)c(NCCCn2cnc3ccccc32)c1 ZINC000737570643 598630445 /nfs/dbraw/zinc/63/04/45/598630445.db2.gz JKDFHLWAILUXKR-UHFFFAOYSA-N -1 3 353.817 3.372 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000738167188 598631794 /nfs/dbraw/zinc/63/17/94/598631794.db2.gz OCHUCPPJCZZZIJ-DTWKUNHWSA-N -1 3 372.326 3.248 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000738167188 598631796 /nfs/dbraw/zinc/63/17/96/598631796.db2.gz OCHUCPPJCZZZIJ-DTWKUNHWSA-N -1 3 372.326 3.248 20 0 FGADHM COc1ccc(C)cc1[C@H](C)NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737073288 598632601 /nfs/dbraw/zinc/63/26/01/598632601.db2.gz AZTYLKXYRCDCJY-NSHDSACASA-N -1 3 370.388 3.206 20 0 FGADHM COc1ccc(C)cc1[C@H](C)NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737073288 598632603 /nfs/dbraw/zinc/63/26/03/598632603.db2.gz AZTYLKXYRCDCJY-NSHDSACASA-N -1 3 370.388 3.206 20 0 FGADHM Clc1cccc(-c2nnn[n-]2)c1NCc1cnn(-c2ccccc2)c1 ZINC000737575324 598632631 /nfs/dbraw/zinc/63/26/31/598632631.db2.gz QYJYAIJMFZPMQT-UHFFFAOYSA-N -1 3 351.801 3.318 20 0 FGADHM Clc1cccc(-c2nn[n-]n2)c1NCc1cnn(-c2ccccc2)c1 ZINC000737575324 598632633 /nfs/dbraw/zinc/63/26/33/598632633.db2.gz QYJYAIJMFZPMQT-UHFFFAOYSA-N -1 3 351.801 3.318 20 0 FGADHM CC(C)OC(=O)c1ccc(OCc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000735894113 598643521 /nfs/dbraw/zinc/64/35/21/598643521.db2.gz FJEFNYLGARLJQB-UHFFFAOYSA-N -1 3 356.357 3.150 20 0 FGADHM CC(C)OC(=O)c1ccc(OCc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000735894113 598643523 /nfs/dbraw/zinc/64/35/23/598643523.db2.gz FJEFNYLGARLJQB-UHFFFAOYSA-N -1 3 356.357 3.150 20 0 FGADHM C[C@@H](NC(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1cccc(Cl)c1 ZINC000736110625 598648330 /nfs/dbraw/zinc/64/83/30/598648330.db2.gz ILGRLJAUBZANSM-LLVKDONJSA-N -1 3 373.869 3.490 20 0 FGADHM C[C@@H](NC(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1cccc(Cl)c1 ZINC000736110625 598648332 /nfs/dbraw/zinc/64/83/32/598648332.db2.gz ILGRLJAUBZANSM-LLVKDONJSA-N -1 3 373.869 3.490 20 0 FGADHM O=C(c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)N1C2CCC1CC2 ZINC000738274193 598651436 /nfs/dbraw/zinc/65/14/36/598651436.db2.gz PUFUNZUHQUFGBU-UHFFFAOYSA-N -1 3 361.405 3.426 20 0 FGADHM O=C(c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)N1C2CCC1CC2 ZINC000738274193 598651438 /nfs/dbraw/zinc/65/14/38/598651438.db2.gz PUFUNZUHQUFGBU-UHFFFAOYSA-N -1 3 361.405 3.426 20 0 FGADHM CC(=CC(=O)Nc1ccc(-c2nnn[n-]2)cn1)c1ccc(C(F)(F)F)cc1 ZINC000735446771 598662200 /nfs/dbraw/zinc/66/22/00/598662200.db2.gz FSYBDUVRUBCCCL-NTMALXAHSA-N -1 3 374.326 3.323 20 0 FGADHM CC(=CC(=O)Nc1ccc(-c2nn[n-]n2)cn1)c1ccc(C(F)(F)F)cc1 ZINC000735446771 598662202 /nfs/dbraw/zinc/66/22/02/598662202.db2.gz FSYBDUVRUBCCCL-NTMALXAHSA-N -1 3 374.326 3.323 20 0 FGADHM O=C(CC1CCCCC1)NCCNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737824027 598669747 /nfs/dbraw/zinc/66/97/47/598669747.db2.gz SXSBHAZNLSKDDR-UHFFFAOYSA-N -1 3 362.865 3.019 20 0 FGADHM O=C(CC1CCCCC1)NCCNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737824027 598669749 /nfs/dbraw/zinc/66/97/49/598669749.db2.gz SXSBHAZNLSKDDR-UHFFFAOYSA-N -1 3 362.865 3.019 20 0 FGADHM CC(C)(CNc1nc2c(cc1-c1nnn[n-]1)CCC2)c1ccc(F)cc1 ZINC000735671007 598672815 /nfs/dbraw/zinc/67/28/15/598672815.db2.gz JEEVUMGETWNELH-UHFFFAOYSA-N -1 3 352.417 3.279 20 0 FGADHM CC(C)(CNc1nc2c(cc1-c1nn[n-]n1)CCC2)c1ccc(F)cc1 ZINC000735671007 598672817 /nfs/dbraw/zinc/67/28/17/598672817.db2.gz JEEVUMGETWNELH-UHFFFAOYSA-N -1 3 352.417 3.279 20 0 FGADHM CC(C)C[C@H](C)Oc1cc(CNc2ccc(-c3nnn[n-]3)cn2)ccn1 ZINC000735761081 598675353 /nfs/dbraw/zinc/67/53/53/598675353.db2.gz KSNWTOVEAUAFMG-ZDUSSCGKSA-N -1 3 353.430 3.082 20 0 FGADHM CC(C)C[C@H](C)Oc1cc(CNc2ccc(-c3nn[n-]n3)cn2)ccn1 ZINC000735761081 598675354 /nfs/dbraw/zinc/67/53/54/598675354.db2.gz KSNWTOVEAUAFMG-ZDUSSCGKSA-N -1 3 353.430 3.082 20 0 FGADHM CC[C@H]1CCCN1C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000736402872 598686352 /nfs/dbraw/zinc/68/63/52/598686352.db2.gz PGIZPRPXBOOHDV-HNNXBMFYSA-N -1 3 364.409 3.069 20 0 FGADHM CC[C@H]1CCCN1C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000736402872 598686353 /nfs/dbraw/zinc/68/63/53/598686353.db2.gz PGIZPRPXBOOHDV-HNNXBMFYSA-N -1 3 364.409 3.069 20 0 FGADHM O=C(CCc1c[nH]c2ccccc12)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737853239 598702113 /nfs/dbraw/zinc/70/21/13/598702113.db2.gz RHXRQAGNLLPXCN-UHFFFAOYSA-N -1 3 365.368 3.163 20 0 FGADHM O=C(CCc1c[nH]c2ccccc12)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737853239 598702114 /nfs/dbraw/zinc/70/21/14/598702114.db2.gz RHXRQAGNLLPXCN-UHFFFAOYSA-N -1 3 365.368 3.163 20 0 FGADHM Cc1ccc(C)c(OCCC(=O)OCc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000737326861 598703010 /nfs/dbraw/zinc/70/30/10/598703010.db2.gz RZCNLUWUDYOMPP-UHFFFAOYSA-N -1 3 370.384 3.135 20 0 FGADHM Cc1ccc(C)c(OCCC(=O)OCc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000737326861 598703011 /nfs/dbraw/zinc/70/30/11/598703011.db2.gz RZCNLUWUDYOMPP-UHFFFAOYSA-N -1 3 370.384 3.135 20 0 FGADHM Cc1cc2ccccc2n1CC(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737284858 598706018 /nfs/dbraw/zinc/70/60/18/598706018.db2.gz NUQCQDQPFGHYAZ-UHFFFAOYSA-N -1 3 365.368 3.012 20 0 FGADHM Cc1cc2ccccc2n1CC(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737284858 598706020 /nfs/dbraw/zinc/70/60/20/598706020.db2.gz NUQCQDQPFGHYAZ-UHFFFAOYSA-N -1 3 365.368 3.012 20 0 FGADHM O=C(CCc1ccc(Cl)cc1)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737853457 598706658 /nfs/dbraw/zinc/70/66/58/598706658.db2.gz MAIJZKXAQIVZSK-UHFFFAOYSA-N -1 3 360.776 3.335 20 0 FGADHM O=C(CCc1ccc(Cl)cc1)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737853457 598706660 /nfs/dbraw/zinc/70/66/60/598706660.db2.gz MAIJZKXAQIVZSK-UHFFFAOYSA-N -1 3 360.776 3.335 20 0 FGADHM Cc1ccc2oc(C(=O)OCc3ccc(F)cc3-c3nnn[n-]3)cc2c1 ZINC000737380800 598709702 /nfs/dbraw/zinc/70/97/02/598709702.db2.gz RRZYAWQJVXCCRR-UHFFFAOYSA-N -1 3 352.325 3.417 20 0 FGADHM Cc1ccc2oc(C(=O)OCc3ccc(F)cc3-c3nn[n-]n3)cc2c1 ZINC000737380800 598709703 /nfs/dbraw/zinc/70/97/03/598709703.db2.gz RRZYAWQJVXCCRR-UHFFFAOYSA-N -1 3 352.325 3.417 20 0 FGADHM CC(C)[C@@H]1CCCC[C@H]1NC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736113239 598716335 /nfs/dbraw/zinc/71/63/35/598716335.db2.gz LSQSXOPYFRCGKX-RRQGHBQHSA-N -1 3 356.474 3.442 20 0 FGADHM CC(C)[C@@H]1CCCC[C@H]1NC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736113239 598716337 /nfs/dbraw/zinc/71/63/37/598716337.db2.gz LSQSXOPYFRCGKX-RRQGHBQHSA-N -1 3 356.474 3.442 20 0 FGADHM Cc1cccc(COC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737392972 598726625 /nfs/dbraw/zinc/72/66/25/598726625.db2.gz CTQSYCUGNNRRJM-UHFFFAOYSA-N -1 3 366.421 3.468 20 0 FGADHM Cc1cccc(COC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737392972 598726626 /nfs/dbraw/zinc/72/66/26/598726626.db2.gz CTQSYCUGNNRRJM-UHFFFAOYSA-N -1 3 366.421 3.468 20 0 FGADHM Cc1nn(-c2ccccc2)c(COC(=O)/C=C/C(C)(C)C)c1-c1nnn[n-]1 ZINC000737503730 598728470 /nfs/dbraw/zinc/72/84/70/598728470.db2.gz KKIMDJHTXUYVNI-ZHACJKMWSA-N -1 3 366.425 3.006 20 0 FGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H](C)Cc1ccccc1 ZINC000735904406 598741253 /nfs/dbraw/zinc/74/12/53/598741253.db2.gz OLCBRUAKZGOYKJ-CQSZACIVSA-N -1 3 365.437 3.471 20 0 FGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H](C)Cc1ccccc1 ZINC000735904406 598741254 /nfs/dbraw/zinc/74/12/54/598741254.db2.gz OLCBRUAKZGOYKJ-CQSZACIVSA-N -1 3 365.437 3.471 20 0 FGADHM C[C@H](NC(=O)C[C@@H]1CCc2ccccc2C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736102104 598741527 /nfs/dbraw/zinc/74/15/27/598741527.db2.gz QVWZECMEDWLTEH-LSDHHAIUSA-N -1 3 361.449 3.239 20 0 FGADHM C[C@H](NC(=O)C[C@@H]1CCc2ccccc2C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736102104 598741529 /nfs/dbraw/zinc/74/15/29/598741529.db2.gz QVWZECMEDWLTEH-LSDHHAIUSA-N -1 3 361.449 3.239 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H](C)Cc1ccccc1 ZINC000736634786 598741533 /nfs/dbraw/zinc/74/15/33/598741533.db2.gz IQZLBOLIQDTHDZ-ZDUSSCGKSA-N -1 3 351.410 3.083 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H](C)Cc1ccccc1 ZINC000736634786 598741534 /nfs/dbraw/zinc/74/15/34/598741534.db2.gz IQZLBOLIQDTHDZ-ZDUSSCGKSA-N -1 3 351.410 3.083 20 0 FGADHM CCS[C@@H]1CCCCN(C(=S)Nc2ccccc2-c2nnn[n-]2)C1 ZINC000736664140 598741758 /nfs/dbraw/zinc/74/17/58/598741758.db2.gz IXRLRQQNFWPKFQ-GFCCVEGCSA-N -1 3 362.528 3.171 20 0 FGADHM CCS[C@@H]1CCCCN(C(=S)Nc2ccccc2-c2nn[n-]n2)C1 ZINC000736664140 598741759 /nfs/dbraw/zinc/74/17/59/598741759.db2.gz IXRLRQQNFWPKFQ-GFCCVEGCSA-N -1 3 362.528 3.171 20 0 FGADHM C[C@@H](NC(=O)C[C@H]1CCc2ccccc2C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736102101 598741770 /nfs/dbraw/zinc/74/17/70/598741770.db2.gz QVWZECMEDWLTEH-CABCVRRESA-N -1 3 361.449 3.239 20 0 FGADHM C[C@@H](NC(=O)C[C@H]1CCc2ccccc2C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736102101 598741771 /nfs/dbraw/zinc/74/17/71/598741771.db2.gz QVWZECMEDWLTEH-CABCVRRESA-N -1 3 361.449 3.239 20 0 FGADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OC[C@H](C)C(F)(F)F ZINC000824207079 607366589 /nfs/dbraw/zinc/36/65/89/607366589.db2.gz PHGHYCLIWLYMBJ-GXFFZTMASA-N -1 3 372.347 3.012 20 0 FGADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)OC[C@H](C)C(F)(F)F ZINC000824207079 607366590 /nfs/dbraw/zinc/36/65/90/607366590.db2.gz PHGHYCLIWLYMBJ-GXFFZTMASA-N -1 3 372.347 3.012 20 0 FGADHM Fc1cc(F)c2ncc(-c3nnn[n-]3)c(N3CC[C@H](c4ccco4)C3)c2c1 ZINC000737643181 598773319 /nfs/dbraw/zinc/77/33/19/598773319.db2.gz CNZKIYKXNXJZCP-JTQLQIEISA-N -1 3 368.347 3.280 20 0 FGADHM Fc1cc(F)c2ncc(-c3nn[n-]n3)c(N3CC[C@H](c4ccco4)C3)c2c1 ZINC000737643181 598773322 /nfs/dbraw/zinc/77/33/22/598773322.db2.gz CNZKIYKXNXJZCP-JTQLQIEISA-N -1 3 368.347 3.280 20 0 FGADHM CC[C@H](Cc1ccccc1)C(=O)OCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000736351617 598779157 /nfs/dbraw/zinc/77/91/57/598779157.db2.gz PPQNVTUCFAJZIV-MRXNPFEDSA-N -1 3 366.421 3.058 20 0 FGADHM COc1ccccc1CC(C)(C)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737151259 598791633 /nfs/dbraw/zinc/79/16/33/598791633.db2.gz AKJJIPGUJZCEFA-UHFFFAOYSA-N -1 3 369.400 3.222 20 0 FGADHM COc1ccccc1CC(C)(C)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737151259 598791634 /nfs/dbraw/zinc/79/16/34/598791634.db2.gz AKJJIPGUJZCEFA-UHFFFAOYSA-N -1 3 369.400 3.222 20 0 FGADHM Clc1ccc(NCc2cn3cc(Cl)ccc3n2)c(-c2nnn[n-]2)c1 ZINC000737573473 598791964 /nfs/dbraw/zinc/79/19/64/598791964.db2.gz IKRRUZIHTSPXFW-UHFFFAOYSA-N -1 3 360.208 3.433 20 0 FGADHM Clc1ccc(NCc2cn3cc(Cl)ccc3n2)c(-c2nn[n-]n2)c1 ZINC000737573473 598791966 /nfs/dbraw/zinc/79/19/66/598791966.db2.gz IKRRUZIHTSPXFW-UHFFFAOYSA-N -1 3 360.208 3.433 20 0 FGADHM Clc1ccc(NCc2ccccc2-n2cccn2)c(-c2nnn[n-]2)c1 ZINC000737574835 598794744 /nfs/dbraw/zinc/79/47/44/598794744.db2.gz QOVTVHCMUODKIW-UHFFFAOYSA-N -1 3 351.801 3.318 20 0 FGADHM Clc1ccc(NCc2ccccc2-n2cccn2)c(-c2nn[n-]n2)c1 ZINC000737574835 598794745 /nfs/dbraw/zinc/79/47/45/598794745.db2.gz QOVTVHCMUODKIW-UHFFFAOYSA-N -1 3 351.801 3.318 20 0 FGADHM Fc1ccccc1[C@@H]1CN(c2ccc(Cl)cc2-c2nnn[n-]2)CCO1 ZINC000737668091 598795983 /nfs/dbraw/zinc/79/59/83/598795983.db2.gz CWSRSOLQMGRURG-INIZCTEOSA-N -1 3 359.792 3.237 20 0 FGADHM Fc1ccccc1[C@@H]1CN(c2ccc(Cl)cc2-c2nn[n-]n2)CCO1 ZINC000737668091 598795984 /nfs/dbraw/zinc/79/59/84/598795984.db2.gz CWSRSOLQMGRURG-INIZCTEOSA-N -1 3 359.792 3.237 20 0 FGADHM CCN(C(=O)C=Cc1cncc(F)c1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736502903 598818715 /nfs/dbraw/zinc/81/87/15/598818715.db2.gz QMQRKRMWRWSBRS-FAFAAHBOSA-N -1 3 366.400 3.024 20 0 FGADHM CCN(C(=O)C=Cc1cncc(F)c1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736502903 598818717 /nfs/dbraw/zinc/81/87/17/598818717.db2.gz QMQRKRMWRWSBRS-FAFAAHBOSA-N -1 3 366.400 3.024 20 0 FGADHM CCc1sc(=O)n(Cc2ccccc2-c2nnn[n-]2)c1-c1ccccc1 ZINC000736712263 598818923 /nfs/dbraw/zinc/81/89/23/598818923.db2.gz AUXPBIKQVAEXJV-UHFFFAOYSA-N -1 3 363.446 3.368 20 0 FGADHM CCc1sc(=O)n(Cc2ccccc2-c2nn[n-]n2)c1-c1ccccc1 ZINC000736712263 598818925 /nfs/dbraw/zinc/81/89/25/598818925.db2.gz AUXPBIKQVAEXJV-UHFFFAOYSA-N -1 3 363.446 3.368 20 0 FGADHM CCC[C@H]1CCc2c(sc(=O)n2Cc2ccccc2-c2nnn[n-]2)C1 ZINC000736437738 598818980 /nfs/dbraw/zinc/81/89/80/598818980.db2.gz XDKBFRYCVALBCC-LBPRGKRZSA-N -1 3 355.467 3.043 20 0 FGADHM CCC[C@H]1CCc2c(sc(=O)n2Cc2ccccc2-c2nn[n-]n2)C1 ZINC000736437738 598818981 /nfs/dbraw/zinc/81/89/81/598818981.db2.gz XDKBFRYCVALBCC-LBPRGKRZSA-N -1 3 355.467 3.043 20 0 FGADHM CC(C)c1csc([C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cn3)C2)n1 ZINC000735939759 599295240 /nfs/dbraw/zinc/29/52/40/599295240.db2.gz RTTDGXJFFJFNPT-CYBMUJFWSA-N -1 3 355.471 3.226 20 0 FGADHM CC(C)c1csc([C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cn3)C2)n1 ZINC000735939759 599295243 /nfs/dbraw/zinc/29/52/43/599295243.db2.gz RTTDGXJFFJFNPT-CYBMUJFWSA-N -1 3 355.471 3.226 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)N1CCC[C@H]1C1CC1 ZINC000823303601 599295508 /nfs/dbraw/zinc/29/55/08/599295508.db2.gz OBZVPJXNSXOYIN-ZDUSSCGKSA-N -1 3 366.347 3.292 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)N1CCC[C@H]1C1CC1 ZINC000823303601 599295510 /nfs/dbraw/zinc/29/55/10/599295510.db2.gz OBZVPJXNSXOYIN-ZDUSSCGKSA-N -1 3 366.347 3.292 20 0 FGADHM CCc1nc(NC(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)sc1C ZINC000821509905 599297455 /nfs/dbraw/zinc/29/74/55/599297455.db2.gz PABNNICDBPVMKW-VIFPVBQESA-N -1 3 357.443 3.077 20 0 FGADHM CCc1nc(NC(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)sc1C ZINC000821509905 599297457 /nfs/dbraw/zinc/29/74/57/599297457.db2.gz PABNNICDBPVMKW-VIFPVBQESA-N -1 3 357.443 3.077 20 0 FGADHM CCN(C(=O)CCSc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736505813 599311554 /nfs/dbraw/zinc/31/15/54/599311554.db2.gz SETFCMQRFRKSTG-UHFFFAOYSA-N -1 3 353.451 3.402 20 0 FGADHM CCN(C(=O)CCSc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736505813 599311558 /nfs/dbraw/zinc/31/15/58/599311558.db2.gz SETFCMQRFRKSTG-UHFFFAOYSA-N -1 3 353.451 3.402 20 0 FGADHM COc1ccc(NC(C)=O)cc1N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737106391 599324311 /nfs/dbraw/zinc/32/43/11/599324311.db2.gz RXPACIFLNCUUDZ-NSHDSACASA-N -1 3 352.398 3.007 20 0 FGADHM COc1ccc(NC(C)=O)cc1N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737106391 599324313 /nfs/dbraw/zinc/32/43/13/599324313.db2.gz RXPACIFLNCUUDZ-NSHDSACASA-N -1 3 352.398 3.007 20 0 FGADHM Cc1ccc(NCCOc2cccc(-c3nnn[n-]3)c2)c(Br)c1 ZINC000737362061 599326022 /nfs/dbraw/zinc/32/60/22/599326022.db2.gz MHLBOQIEZBWWLT-UHFFFAOYSA-N -1 3 374.242 3.429 20 0 FGADHM Cc1ccc(NCCOc2cccc(-c3nn[n-]n3)c2)c(Br)c1 ZINC000737362061 599326024 /nfs/dbraw/zinc/32/60/24/599326024.db2.gz MHLBOQIEZBWWLT-UHFFFAOYSA-N -1 3 374.242 3.429 20 0 FGADHM COCCOc1ccc(F)cc1N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737015005 599326368 /nfs/dbraw/zinc/32/63/68/599326368.db2.gz LVOOAQOWJAUCJJ-LBPRGKRZSA-N -1 3 357.389 3.204 20 0 FGADHM COCCOc1ccc(F)cc1N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737015005 599326370 /nfs/dbraw/zinc/32/63/70/599326370.db2.gz LVOOAQOWJAUCJJ-LBPRGKRZSA-N -1 3 357.389 3.204 20 0 FGADHM CC(C)(C)c1noc(CNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)n1 ZINC000735655282 599329740 /nfs/dbraw/zinc/32/97/40/599329740.db2.gz MGIVXPGINUEKCE-UHFFFAOYSA-N -1 3 367.335 3.178 20 0 FGADHM CC(C)(C)c1noc(CNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)n1 ZINC000735655282 599329743 /nfs/dbraw/zinc/32/97/43/599329743.db2.gz MGIVXPGINUEKCE-UHFFFAOYSA-N -1 3 367.335 3.178 20 0 FGADHM CC(C)c1cccc(S(=O)(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000820197731 599337186 /nfs/dbraw/zinc/33/71/86/599337186.db2.gz NBGBJJFHUBDUDM-CYBMUJFWSA-N -1 3 371.466 3.030 20 0 FGADHM CC(C)c1cccc(S(=O)(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000820197731 599337189 /nfs/dbraw/zinc/33/71/89/599337189.db2.gz NBGBJJFHUBDUDM-CYBMUJFWSA-N -1 3 371.466 3.030 20 0 FGADHM C[C@@H](SC1=Nc2ccccc2C1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000736189434 599340051 /nfs/dbraw/zinc/34/00/51/599340051.db2.gz POLSIGZJJLMLRZ-LLVKDONJSA-N -1 3 364.434 3.213 20 0 FGADHM C[C@@H](SC1=Nc2ccccc2C1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000736189434 599340054 /nfs/dbraw/zinc/34/00/54/599340054.db2.gz POLSIGZJJLMLRZ-LLVKDONJSA-N -1 3 364.434 3.213 20 0 FGADHM O=C(CSc1ccccc1-c1nnn[n-]1)N[C@H]1CCCc2ccccc21 ZINC000823070675 599346176 /nfs/dbraw/zinc/34/61/76/599346176.db2.gz JSKRZYKMYMLQHU-INIZCTEOSA-N -1 3 365.462 3.153 20 0 FGADHM O=C(CSc1ccccc1-c1nn[n-]n1)N[C@H]1CCCc2ccccc21 ZINC000823070675 599346179 /nfs/dbraw/zinc/34/61/79/599346179.db2.gz JSKRZYKMYMLQHU-INIZCTEOSA-N -1 3 365.462 3.153 20 0 FGADHM CC(C)[C@@H](Sc1ccccc1-c1nnn[n-]1)C(=O)NC1CCCCC1 ZINC000820032619 599348739 /nfs/dbraw/zinc/34/87/39/599348739.db2.gz OVUKSBNCJOYFHH-MRXNPFEDSA-N -1 3 359.499 3.432 20 0 FGADHM CC(C)[C@@H](Sc1ccccc1-c1nn[n-]n1)C(=O)NC1CCCCC1 ZINC000820032619 599348741 /nfs/dbraw/zinc/34/87/41/599348741.db2.gz OVUKSBNCJOYFHH-MRXNPFEDSA-N -1 3 359.499 3.432 20 0 FGADHM C[C@@H]1CCc2c(sc(NC(=O)c3ccc(Cl)cn3)c2-c2nnn[n-]2)C1 ZINC000736280265 599368878 /nfs/dbraw/zinc/36/88/78/599368878.db2.gz PMSVJXHDCQSDSP-MRVPVSSYSA-N -1 3 374.857 3.354 20 0 FGADHM C[C@@H]1CCc2c(sc(NC(=O)c3ccc(Cl)cn3)c2-c2nn[n-]n2)C1 ZINC000736280265 599368881 /nfs/dbraw/zinc/36/88/81/599368881.db2.gz PMSVJXHDCQSDSP-MRVPVSSYSA-N -1 3 374.857 3.354 20 0 FGADHM CCOC(=O)c1ccc(-c2nnn[n-]2)c(SCCc2ccc(C)cc2)n1 ZINC000736602635 599370267 /nfs/dbraw/zinc/37/02/67/599370267.db2.gz IGUHEIADLOTCQB-UHFFFAOYSA-N -1 3 369.450 3.082 20 0 FGADHM CCOC(=O)c1ccc(-c2nn[n-]n2)c(SCCc2ccc(C)cc2)n1 ZINC000736602635 599370269 /nfs/dbraw/zinc/37/02/69/599370269.db2.gz IGUHEIADLOTCQB-UHFFFAOYSA-N -1 3 369.450 3.082 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C1(c2ccccc2F)CC1 ZINC000738143475 599370736 /nfs/dbraw/zinc/37/07/36/599370736.db2.gz DKHPWBIIVNYYLN-UHFFFAOYSA-N -1 3 357.776 3.330 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C1(c2ccccc2F)CC1 ZINC000738143475 599370739 /nfs/dbraw/zinc/37/07/39/599370739.db2.gz DKHPWBIIVNYYLN-UHFFFAOYSA-N -1 3 357.776 3.330 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C1(c2ccccc2F)CC1 ZINC000736633910 599372389 /nfs/dbraw/zinc/37/23/89/599372389.db2.gz FGJIKJFJORXRBU-UHFFFAOYSA-N -1 3 367.384 3.075 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C1(c2ccccc2F)CC1 ZINC000736633910 599372392 /nfs/dbraw/zinc/37/23/92/599372392.db2.gz FGJIKJFJORXRBU-UHFFFAOYSA-N -1 3 367.384 3.075 20 0 FGADHM CCc1cccc2c1N(C(=O)CCc1ccc(-c3nnn[n-]3)cc1)CCC2 ZINC000736696141 599374388 /nfs/dbraw/zinc/37/43/88/599374388.db2.gz VBLLHTWZNBVGIK-UHFFFAOYSA-N -1 3 361.449 3.341 20 0 FGADHM CCc1cccc2c1N(C(=O)CCc1ccc(-c3nn[n-]n3)cc1)CCC2 ZINC000736696141 599374390 /nfs/dbraw/zinc/37/43/90/599374390.db2.gz VBLLHTWZNBVGIK-UHFFFAOYSA-N -1 3 361.449 3.341 20 0 FGADHM COC(=O)[C@H](NCCCCC1CCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000821641930 599387309 /nfs/dbraw/zinc/38/73/09/599387309.db2.gz AGYIKKPNDZVGRU-QGZVFWFLSA-N -1 3 357.458 3.031 20 0 FGADHM COC(=O)[C@H](NCCCCC1CCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000821641930 599387312 /nfs/dbraw/zinc/38/73/12/599387312.db2.gz AGYIKKPNDZVGRU-QGZVFWFLSA-N -1 3 357.458 3.031 20 0 FGADHM C[C@@H](N[C@H](C)c1cccc(-c2nnn[n-]2)c1)c1nc(-c2cccs2)no1 ZINC000820414299 599388761 /nfs/dbraw/zinc/38/87/61/599388761.db2.gz XPMULXZBHRSJMQ-GHMZBOCLSA-N -1 3 367.438 3.390 20 0 FGADHM C[C@@H](N[C@H](C)c1cccc(-c2nn[n-]n2)c1)c1nc(-c2cccs2)no1 ZINC000820414299 599388765 /nfs/dbraw/zinc/38/87/65/599388765.db2.gz XPMULXZBHRSJMQ-GHMZBOCLSA-N -1 3 367.438 3.390 20 0 FGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)N1CC[C@H]1c1ccc(Cl)cc1 ZINC000823246363 599410232 /nfs/dbraw/zinc/41/02/32/599410232.db2.gz MKGNLAKPXQNYCD-INIZCTEOSA-N -1 3 368.828 3.177 20 0 FGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)N1CC[C@H]1c1ccc(Cl)cc1 ZINC000823246363 599410236 /nfs/dbraw/zinc/41/02/36/599410236.db2.gz MKGNLAKPXQNYCD-INIZCTEOSA-N -1 3 368.828 3.177 20 0 FGADHM C[C@@H](NC(=O)NCc1cc2ccccc2o1)c1cccc(-c2nnn[n-]2)c1 ZINC000820368254 599422395 /nfs/dbraw/zinc/42/23/95/599422395.db2.gz YXHLJYAQSHJQTB-GFCCVEGCSA-N -1 3 362.393 3.173 20 0 FGADHM C[C@@H](NC(=O)NCc1cc2ccccc2o1)c1cccc(-c2nn[n-]n2)c1 ZINC000820368254 599422398 /nfs/dbraw/zinc/42/23/98/599422398.db2.gz YXHLJYAQSHJQTB-GFCCVEGCSA-N -1 3 362.393 3.173 20 0 FGADHM COc1ccccc1OCCCNc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000737150953 599429766 /nfs/dbraw/zinc/42/97/66/599429766.db2.gz CDXZSMKYHRNXQQ-UHFFFAOYSA-N -1 3 359.817 3.410 20 0 FGADHM COc1ccccc1OCCCNc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000737150953 599429768 /nfs/dbraw/zinc/42/97/68/599429768.db2.gz CDXZSMKYHRNXQQ-UHFFFAOYSA-N -1 3 359.817 3.410 20 0 FGADHM CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000820073921 599432101 /nfs/dbraw/zinc/43/21/01/599432101.db2.gz XBLGOQNBISZTNS-GUYCJALGSA-N -1 3 374.464 3.410 20 0 FGADHM CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000820073921 599432103 /nfs/dbraw/zinc/43/21/03/599432103.db2.gz XBLGOQNBISZTNS-GUYCJALGSA-N -1 3 374.464 3.410 20 0 FGADHM C[C@@H](NC(=O)NCC(C)(C)c1cccs1)c1cccc(-c2nnn[n-]2)c1 ZINC000820356701 599441001 /nfs/dbraw/zinc/44/10/01/599441001.db2.gz AUNPNWNEXPCDAT-GFCCVEGCSA-N -1 3 370.482 3.266 20 0 FGADHM C[C@@H](NC(=O)NCC(C)(C)c1cccs1)c1cccc(-c2nn[n-]n2)c1 ZINC000820356701 599441004 /nfs/dbraw/zinc/44/10/04/599441004.db2.gz AUNPNWNEXPCDAT-GFCCVEGCSA-N -1 3 370.482 3.266 20 0 FGADHM C[C@H](NC(=O)NCC[C@@H]1CCC[C@@H](C)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820697827 599442099 /nfs/dbraw/zinc/44/20/99/599442099.db2.gz MUPTVSNGQMNMKK-ILXRZTDVSA-N -1 3 356.474 3.443 20 0 FGADHM C[C@H](NC(=O)NCC[C@@H]1CCC[C@@H](C)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820697827 599442102 /nfs/dbraw/zinc/44/21/02/599442102.db2.gz MUPTVSNGQMNMKK-ILXRZTDVSA-N -1 3 356.474 3.443 20 0 FGADHM C[C@H]1CCCC[C@H]1CCNC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000820696866 599442224 /nfs/dbraw/zinc/44/22/24/599442224.db2.gz COHPDMCHNFIDSE-STQMWFEESA-N -1 3 360.437 3.021 20 0 FGADHM C[C@H]1CCCC[C@H]1CCNC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000820696866 599442228 /nfs/dbraw/zinc/44/22/28/599442228.db2.gz COHPDMCHNFIDSE-STQMWFEESA-N -1 3 360.437 3.021 20 0 FGADHM CCCCc1noc([C@@H](C)SCCOc2ccccc2-c2nnn[n-]2)n1 ZINC000736466781 599451622 /nfs/dbraw/zinc/45/16/22/599451622.db2.gz NIBFZHDSYOLWGS-GFCCVEGCSA-N -1 3 374.470 3.466 20 0 FGADHM CCCCc1noc([C@@H](C)SCCOc2ccccc2-c2nn[n-]n2)n1 ZINC000736466781 599451623 /nfs/dbraw/zinc/45/16/23/599451623.db2.gz NIBFZHDSYOLWGS-GFCCVEGCSA-N -1 3 374.470 3.466 20 0 FGADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)N1CCC[C@@H]1c1ccsc1 ZINC000823232959 599464674 /nfs/dbraw/zinc/46/46/74/599464674.db2.gz BNJNSKBKZAXKLF-OAHLLOKOSA-N -1 3 372.429 3.114 20 0 FGADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)N1CCC[C@@H]1c1ccsc1 ZINC000823232959 599464676 /nfs/dbraw/zinc/46/46/76/599464676.db2.gz BNJNSKBKZAXKLF-OAHLLOKOSA-N -1 3 372.429 3.114 20 0 FGADHM CC(C)(NC(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1cccc(F)c1 ZINC000735671838 599464983 /nfs/dbraw/zinc/46/49/83/599464983.db2.gz NKLJERHSYOGGPZ-UHFFFAOYSA-N -1 3 371.441 3.149 20 0 FGADHM CC(C)(NC(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1cccc(F)c1 ZINC000735671838 599464985 /nfs/dbraw/zinc/46/49/85/599464985.db2.gz NKLJERHSYOGGPZ-UHFFFAOYSA-N -1 3 371.441 3.149 20 0 FGADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)N1CCC[C@H]1C1CCCCC1 ZINC000823235180 599467724 /nfs/dbraw/zinc/46/77/24/599467724.db2.gz SJZMPGVXMBUODR-KRWDZBQOSA-N -1 3 372.448 3.260 20 0 FGADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)N1CCC[C@H]1C1CCCCC1 ZINC000823235180 599467726 /nfs/dbraw/zinc/46/77/26/599467726.db2.gz SJZMPGVXMBUODR-KRWDZBQOSA-N -1 3 372.448 3.260 20 0 FGADHM C[C@@H](NC(=O)NCc1ccc(Cl)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820373910 599471586 /nfs/dbraw/zinc/47/15/86/599471586.db2.gz LJJWUGXBGMCSLM-LLVKDONJSA-N -1 3 356.817 3.081 20 0 FGADHM C[C@@H](NC(=O)NCc1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820373910 599471590 /nfs/dbraw/zinc/47/15/90/599471590.db2.gz LJJWUGXBGMCSLM-LLVKDONJSA-N -1 3 356.817 3.081 20 0 FGADHM C[C@H](NC(=O)N(C)[C@@H](C)c1ccccc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000820342589 599473083 /nfs/dbraw/zinc/47/30/83/599473083.db2.gz VXISNMOUJGRKDV-STQMWFEESA-N -1 3 368.416 3.469 20 0 FGADHM C[C@H](NC(=O)N(C)[C@@H](C)c1ccccc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000820342589 599473085 /nfs/dbraw/zinc/47/30/85/599473085.db2.gz VXISNMOUJGRKDV-STQMWFEESA-N -1 3 368.416 3.469 20 0 FGADHM C[C@H](C[C@H](O)c1ccccc1)Nc1nc2ccccc2cc1-c1nnn[n-]1 ZINC000820231632 607381084 /nfs/dbraw/zinc/38/10/84/607381084.db2.gz CLVXOYSCGSVJMO-ACJLOTCBSA-N -1 3 360.421 3.339 20 0 FGADHM C[C@H](C[C@H](O)c1ccccc1)Nc1nc2ccccc2cc1-c1nn[n-]n1 ZINC000820231632 607381086 /nfs/dbraw/zinc/38/10/86/607381086.db2.gz CLVXOYSCGSVJMO-ACJLOTCBSA-N -1 3 360.421 3.339 20 0 FGADHM CC[C@@H](NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1nc(C)cs1 ZINC000820919686 599481461 /nfs/dbraw/zinc/48/14/61/599481461.db2.gz FOUUHQIIJAZDPI-SMDDNHRTSA-N -1 3 371.470 3.143 20 0 FGADHM CC[C@@H](NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1nc(C)cs1 ZINC000820919686 599481463 /nfs/dbraw/zinc/48/14/63/599481463.db2.gz FOUUHQIIJAZDPI-SMDDNHRTSA-N -1 3 371.470 3.143 20 0 FGADHM C[C@H](NC(=O)NCc1ccccc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000820373259 599481476 /nfs/dbraw/zinc/48/14/76/599481476.db2.gz GXPPMBCXVWBAKP-NSHDSACASA-N -1 3 356.817 3.081 20 0 FGADHM C[C@H](NC(=O)NCc1ccccc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000820373259 599481478 /nfs/dbraw/zinc/48/14/78/599481478.db2.gz GXPPMBCXVWBAKP-NSHDSACASA-N -1 3 356.817 3.081 20 0 FGADHM CN(Cc1csc(Br)c1)c1ccc(F)cc1-c1nnn[n-]1 ZINC000821616828 599492737 /nfs/dbraw/zinc/49/27/37/599492737.db2.gz JSLNZEJYRBEVGL-UHFFFAOYSA-N -1 3 368.235 3.466 20 0 FGADHM CN(Cc1csc(Br)c1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000821616828 599492739 /nfs/dbraw/zinc/49/27/39/599492739.db2.gz JSLNZEJYRBEVGL-UHFFFAOYSA-N -1 3 368.235 3.466 20 0 FGADHM C[C@@H](NC(=O)[C@H]1SCCc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820320999 599503384 /nfs/dbraw/zinc/50/33/84/599503384.db2.gz AQLRJSRDIGYUMO-PXAZEXFGSA-N -1 3 365.462 3.075 20 0 FGADHM C[C@@H](NC(=O)[C@H]1SCCc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820320999 599503386 /nfs/dbraw/zinc/50/33/86/599503386.db2.gz AQLRJSRDIGYUMO-PXAZEXFGSA-N -1 3 365.462 3.075 20 0 FGADHM C[C@@H](NC(=O)c1cnc(C(C)(C)C)s1)c1cccc(-c2nnn[n-]2)c1 ZINC000820404398 599504626 /nfs/dbraw/zinc/50/46/26/599504626.db2.gz UNHLGSSZQKGDMG-SNVBAGLBSA-N -1 3 356.455 3.112 20 0 FGADHM C[C@@H](NC(=O)c1cnc(C(C)(C)C)s1)c1cccc(-c2nn[n-]n2)c1 ZINC000820404398 599504628 /nfs/dbraw/zinc/50/46/28/599504628.db2.gz UNHLGSSZQKGDMG-SNVBAGLBSA-N -1 3 356.455 3.112 20 0 FGADHM Cc1cc(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c2ccccc2n1 ZINC000822167830 599507870 /nfs/dbraw/zinc/50/78/70/599507870.db2.gz IZAOHZYHSHNKOG-ZDUSSCGKSA-N -1 3 358.405 3.214 20 0 FGADHM Cc1cc(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c2ccccc2n1 ZINC000822167830 599507872 /nfs/dbraw/zinc/50/78/72/599507872.db2.gz IZAOHZYHSHNKOG-ZDUSSCGKSA-N -1 3 358.405 3.214 20 0 FGADHM Cc1cc2ccccc2n1CC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822212679 599508266 /nfs/dbraw/zinc/50/82/66/599508266.db2.gz BMWNEZGFWIDXMO-CQSZACIVSA-N -1 3 360.421 3.007 20 0 FGADHM Cc1cc2ccccc2n1CC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822212679 599508269 /nfs/dbraw/zinc/50/82/69/599508269.db2.gz BMWNEZGFWIDXMO-CQSZACIVSA-N -1 3 360.421 3.007 20 0 FGADHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(N3CCC(c4cn[nH]c4)CC3)c2c1 ZINC000822194926 599510996 /nfs/dbraw/zinc/51/09/96/599510996.db2.gz AOGGWSBRKODHJR-UHFFFAOYSA-N -1 3 374.452 3.139 20 0 FGADHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(N3CCC(c4cn[nH]c4)CC3)c2c1 ZINC000822194926 599510997 /nfs/dbraw/zinc/51/09/97/599510997.db2.gz AOGGWSBRKODHJR-UHFFFAOYSA-N -1 3 374.452 3.139 20 0 FGADHM COc1ccc([C@@H]2CCN(c3c(-c4nnn[n-]4)cnc4ccccc43)C2)cc1 ZINC000821786918 599511516 /nfs/dbraw/zinc/51/15/16/599511516.db2.gz LIALVNWRWDXJLZ-OAHLLOKOSA-N -1 3 372.432 3.417 20 0 FGADHM COc1ccc([C@@H]2CCN(c3c(-c4nn[n-]n4)cnc4ccccc43)C2)cc1 ZINC000821786918 599511518 /nfs/dbraw/zinc/51/15/18/599511518.db2.gz LIALVNWRWDXJLZ-OAHLLOKOSA-N -1 3 372.432 3.417 20 0 FGADHM C[C@@H](NC(=O)c1c[nH]cc1-c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820384611 599516546 /nfs/dbraw/zinc/51/65/46/599516546.db2.gz JBWAQGGRLAANBH-CYBMUJFWSA-N -1 3 358.405 3.353 20 0 FGADHM C[C@@H](NC(=O)c1c[nH]cc1-c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820384611 599516549 /nfs/dbraw/zinc/51/65/49/599516549.db2.gz JBWAQGGRLAANBH-CYBMUJFWSA-N -1 3 358.405 3.353 20 0 FGADHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1N1CCOc2ccccc2C1 ZINC000737628602 599521669 /nfs/dbraw/zinc/52/16/69/599521669.db2.gz YFINUQDIHUJZNP-UHFFFAOYSA-N -1 3 361.327 3.285 20 0 FGADHM COc1ccc2c(c1)CCCN(c1c(-c3nnn[n-]3)cnc3ccccc31)C2 ZINC000821850215 599523298 /nfs/dbraw/zinc/52/32/98/599523298.db2.gz ZPDCPQJAQPLRID-UHFFFAOYSA-N -1 3 372.432 3.376 20 0 FGADHM COc1ccc2c(c1)CCCN(c1c(-c3nn[n-]n3)cnc3ccccc31)C2 ZINC000821850215 599523299 /nfs/dbraw/zinc/52/32/99/599523299.db2.gz ZPDCPQJAQPLRID-UHFFFAOYSA-N -1 3 372.432 3.376 20 0 FGADHM C[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)c1cccc(-c2nnn[n-]2)c1 ZINC000820321902 599525953 /nfs/dbraw/zinc/52/59/53/599525953.db2.gz NQKKLAMETYAUKZ-JSFDKUKPSA-N -1 3 351.454 3.260 20 0 FGADHM C[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)c1cccc(-c2nn[n-]n2)c1 ZINC000820321902 599525956 /nfs/dbraw/zinc/52/59/56/599525956.db2.gz NQKKLAMETYAUKZ-JSFDKUKPSA-N -1 3 351.454 3.260 20 0 FGADHM C[C@@H](C[C@@H](O)c1ccccc1)Nc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000820236240 607382290 /nfs/dbraw/zinc/38/22/90/607382290.db2.gz ZYUIUIYHSPXGRD-SCLBCKFNSA-N -1 3 360.421 3.339 20 0 FGADHM C[C@@H](C[C@@H](O)c1ccccc1)Nc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000820236240 607382292 /nfs/dbraw/zinc/38/22/92/607382292.db2.gz ZYUIUIYHSPXGRD-SCLBCKFNSA-N -1 3 360.421 3.339 20 0 FGADHM C[C@H](NC(=O)c1csc2c1CCCC2)c1cccc(-c2nnn[n-]2)c1 ZINC000820403430 599531531 /nfs/dbraw/zinc/53/15/31/599531531.db2.gz KBVZSVCZMSSPSN-NSHDSACASA-N -1 3 353.451 3.298 20 0 FGADHM C[C@H](NC(=O)c1csc2c1CCCC2)c1cccc(-c2nn[n-]n2)c1 ZINC000820403430 599531534 /nfs/dbraw/zinc/53/15/34/599531534.db2.gz KBVZSVCZMSSPSN-NSHDSACASA-N -1 3 353.451 3.298 20 0 FGADHM C[C@H](NC(=O)[C@H]1C[C@@H]1c1cccc(F)c1F)c1cccc(-c2nnn[n-]2)c1 ZINC000820322071 599540878 /nfs/dbraw/zinc/54/08/78/599540878.db2.gz QHPGRGOSRKSVNF-VQISRLSMSA-N -1 3 369.375 3.126 20 0 FGADHM C[C@H](NC(=O)[C@H]1C[C@@H]1c1cccc(F)c1F)c1cccc(-c2nn[n-]n2)c1 ZINC000820322071 599540881 /nfs/dbraw/zinc/54/08/81/599540881.db2.gz QHPGRGOSRKSVNF-VQISRLSMSA-N -1 3 369.375 3.126 20 0 FGADHM C[C@H](NC(=O)Cc1ccc(-n2cccc2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820335546 599541881 /nfs/dbraw/zinc/54/18/81/599541881.db2.gz ZPOSNWHWASOZET-HNNXBMFYSA-N -1 3 372.432 3.077 20 0 FGADHM C[C@H](NC(=O)Cc1ccc(-n2cccc2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820335546 599541884 /nfs/dbraw/zinc/54/18/84/599541884.db2.gz ZPOSNWHWASOZET-HNNXBMFYSA-N -1 3 372.432 3.077 20 0 FGADHM C[C@H](SCc1ccccc1)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820549119 599542535 /nfs/dbraw/zinc/54/25/35/599542535.db2.gz KMUYFYBRBAVVFL-KBPBESRZSA-N -1 3 367.478 3.366 20 0 FGADHM C[C@H](SCc1ccccc1)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820549119 599542537 /nfs/dbraw/zinc/54/25/37/599542537.db2.gz KMUYFYBRBAVVFL-KBPBESRZSA-N -1 3 367.478 3.366 20 0 FGADHM O=C(CC/C=C\c1ccccc1)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737824660 599546741 /nfs/dbraw/zinc/54/67/41/599546741.db2.gz HGSVGAKXHNZMIQ-YWEYNIOJSA-N -1 3 351.385 3.116 20 0 FGADHM O=C(CC/C=C\c1ccccc1)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737824660 599546744 /nfs/dbraw/zinc/54/67/44/599546744.db2.gz HGSVGAKXHNZMIQ-YWEYNIOJSA-N -1 3 351.385 3.116 20 0 FGADHM C[C@H]1CC[C@H](C)N(C(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)C1 ZINC000820683813 599547230 /nfs/dbraw/zinc/54/72/30/599547230.db2.gz HNCSURKLBIRQEM-GJZGRUSLSA-N -1 3 357.458 3.063 20 0 FGADHM C[C@H]1CC[C@H](C)N(C(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)C1 ZINC000820683813 599547233 /nfs/dbraw/zinc/54/72/33/599547233.db2.gz HNCSURKLBIRQEM-GJZGRUSLSA-N -1 3 357.458 3.063 20 0 FGADHM C[C@H]1CCN(C(=O)CCc2ccc(-c3nnn[n-]3)cc2)[C@@H](c2ccco2)C1 ZINC000820716907 599548107 /nfs/dbraw/zinc/54/81/07/599548107.db2.gz MKWVZCQQJCONEJ-WMLDXEAASA-N -1 3 365.437 3.392 20 0 FGADHM C[C@H]1CCN(C(=O)CCc2ccc(-c3nn[n-]n3)cc2)[C@@H](c2ccco2)C1 ZINC000820716907 599548111 /nfs/dbraw/zinc/54/81/11/599548111.db2.gz MKWVZCQQJCONEJ-WMLDXEAASA-N -1 3 365.437 3.392 20 0 FGADHM Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000737422703 599549051 /nfs/dbraw/zinc/54/90/51/599549051.db2.gz RHWATJMMWUBBHM-QAPCUYQASA-N -1 3 361.449 3.122 20 0 FGADHM Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737422703 599549053 /nfs/dbraw/zinc/54/90/53/599549053.db2.gz RHWATJMMWUBBHM-QAPCUYQASA-N -1 3 361.449 3.122 20 0 FGADHM CC[C@@]1(C)CCCN(C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)C1 ZINC000820950282 599554513 /nfs/dbraw/zinc/55/45/13/599554513.db2.gz LNSFFAINTZPOKT-SFHVURJKSA-N -1 3 359.478 3.467 20 0 FGADHM CC[C@@]1(C)CCCN(C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)C1 ZINC000820950282 599554517 /nfs/dbraw/zinc/55/45/17/599554517.db2.gz LNSFFAINTZPOKT-SFHVURJKSA-N -1 3 359.478 3.467 20 0 FGADHM Clc1ccc2ncc(-c3nnn[n-]3)c(NCC3CCSCC3)c2c1 ZINC000822582867 599555985 /nfs/dbraw/zinc/55/59/85/599555985.db2.gz ZHCOIXXJDZPXLP-UHFFFAOYSA-N -1 3 360.874 3.045 20 0 FGADHM Clc1ccc2ncc(-c3nn[n-]n3)c(NCC3CCSCC3)c2c1 ZINC000822582867 599555988 /nfs/dbraw/zinc/55/59/88/599555988.db2.gz ZHCOIXXJDZPXLP-UHFFFAOYSA-N -1 3 360.874 3.045 20 0 FGADHM Cc1cc(C)cc(N(C)Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)c1 ZINC000822196449 599565484 /nfs/dbraw/zinc/56/54/84/599565484.db2.gz JZMXWYGSDWXUER-UHFFFAOYSA-N -1 3 361.409 3.170 20 0 FGADHM Cc1cc(C)cc(N(C)Cc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)c1 ZINC000822196449 599565486 /nfs/dbraw/zinc/56/54/86/599565486.db2.gz JZMXWYGSDWXUER-UHFFFAOYSA-N -1 3 361.409 3.170 20 0 FGADHM c1c2ccccc2oc1CCNc1c(-c2nnn[n-]2)cnc2ccccc21 ZINC000823802472 599568410 /nfs/dbraw/zinc/56/84/10/599568410.db2.gz PRIQQIVIAIUHEK-UHFFFAOYSA-N -1 3 356.389 3.238 20 0 FGADHM c1c2ccccc2oc1CCNc1c(-c2nn[n-]n2)cnc2ccccc21 ZINC000823802472 599568413 /nfs/dbraw/zinc/56/84/13/599568413.db2.gz PRIQQIVIAIUHEK-UHFFFAOYSA-N -1 3 356.389 3.238 20 0 FGADHM C[C@H]1Cc2ccccc2N(Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)C1 ZINC000820814242 599574486 /nfs/dbraw/zinc/57/44/86/599574486.db2.gz TWZHCNQATSWCND-ZDUSSCGKSA-N -1 3 373.420 3.116 20 0 FGADHM C[C@H]1Cc2ccccc2N(Cc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)C1 ZINC000820814242 599574487 /nfs/dbraw/zinc/57/44/87/599574487.db2.gz TWZHCNQATSWCND-ZDUSSCGKSA-N -1 3 373.420 3.116 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCc1csc(-c2ccoc2)n1 ZINC000826252625 607385203 /nfs/dbraw/zinc/38/52/03/607385203.db2.gz LBERUIARCWKRKN-UHFFFAOYSA-N -1 3 367.390 3.249 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCc1csc(-c2ccoc2)n1 ZINC000826252625 607385206 /nfs/dbraw/zinc/38/52/06/607385206.db2.gz LBERUIARCWKRKN-UHFFFAOYSA-N -1 3 367.390 3.249 20 0 FGADHM CS[C@@H]1CCCCN(c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)C1 ZINC000821956341 607385636 /nfs/dbraw/zinc/38/56/36/607385636.db2.gz MNDMUPXCUZRPQA-SECBINFHSA-N -1 3 358.393 3.002 20 0 FGADHM CS[C@@H]1CCCCN(c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)C1 ZINC000821956341 607385638 /nfs/dbraw/zinc/38/56/38/607385638.db2.gz MNDMUPXCUZRPQA-SECBINFHSA-N -1 3 358.393 3.002 20 0 FGADHM Cc1ccc([C@H](C)CNC(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737321283 599601297 /nfs/dbraw/zinc/60/12/97/599601297.db2.gz SJHXLSSNAHJELG-HUUCEWRRSA-N -1 3 364.453 3.339 20 0 FGADHM Cc1ccc([C@H](C)CNC(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737321283 599601299 /nfs/dbraw/zinc/60/12/99/599601299.db2.gz SJHXLSSNAHJELG-HUUCEWRRSA-N -1 3 364.453 3.339 20 0 FGADHM CC[C@H](OC(=O)C=Cc1ccccc1-c1nnn[n-]1)C(=O)c1ccccc1 ZINC000736384156 599605483 /nfs/dbraw/zinc/60/54/83/599605483.db2.gz VOYIQDMAHSPWKP-QOHRORDFSA-N -1 3 362.389 3.085 20 0 FGADHM CC[C@H](OC(=O)C=Cc1ccccc1-c1nn[n-]n1)C(=O)c1ccccc1 ZINC000736384156 599605484 /nfs/dbraw/zinc/60/54/84/599605484.db2.gz VOYIQDMAHSPWKP-QOHRORDFSA-N -1 3 362.389 3.085 20 0 FGADHM Cc1ccc([C@H](C)CNC(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737318949 599614452 /nfs/dbraw/zinc/61/44/52/599614452.db2.gz BRLHAEQQXBLWOY-OAHLLOKOSA-N -1 3 364.453 3.120 20 0 FGADHM Cc1ccc([C@H](C)CNC(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737318949 599614453 /nfs/dbraw/zinc/61/44/53/599614453.db2.gz BRLHAEQQXBLWOY-OAHLLOKOSA-N -1 3 364.453 3.120 20 0 FGADHM CC(C)CO[C@@H]1C[C@@H](OC(=O)C=Cc2ccccc2-c2nnn[n-]2)C1(C)C ZINC000735839189 599618938 /nfs/dbraw/zinc/61/89/38/599618938.db2.gz MIWLRZMJBBAPAA-CZDHMLMNSA-N -1 3 370.453 3.263 20 0 FGADHM CC(C)CO[C@@H]1C[C@@H](OC(=O)C=Cc2ccccc2-c2nn[n-]n2)C1(C)C ZINC000735839189 599618940 /nfs/dbraw/zinc/61/89/40/599618940.db2.gz MIWLRZMJBBAPAA-CZDHMLMNSA-N -1 3 370.453 3.263 20 0 FGADHM O=C(OCCOc1ccc(-c2nn[n-]n2)cc1)[C@@H]1C[C@H]1C1CCCCC1 ZINC000823409419 599624142 /nfs/dbraw/zinc/62/41/42/599624142.db2.gz HDUGNDDBEFLSQX-DLBZAZTESA-N -1 3 356.426 3.005 20 0 FGADHM CC[C@H](Cc1ccccc1)OC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000820915668 599625497 /nfs/dbraw/zinc/62/54/97/599625497.db2.gz WGEXPJZJQQFCCN-GOEBONIOSA-N -1 3 366.421 3.199 20 0 FGADHM CC[C@H](Cc1ccccc1)OC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000820915668 599625498 /nfs/dbraw/zinc/62/54/98/599625498.db2.gz WGEXPJZJQQFCCN-GOEBONIOSA-N -1 3 366.421 3.199 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)Oc1cccc2c1CCCC2=O ZINC000822935885 599626358 /nfs/dbraw/zinc/62/63/58/599626358.db2.gz PBJVJCLFHWPYMP-VAWYXSNFSA-N -1 3 360.373 3.005 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)Oc1cccc2c1CCCC2=O ZINC000822935885 599626359 /nfs/dbraw/zinc/62/63/59/599626359.db2.gz PBJVJCLFHWPYMP-VAWYXSNFSA-N -1 3 360.373 3.005 20 0 FGADHM CC(C)(C)c1ncc(C=CC(=O)Nc2ccccc2-c2nnn[n-]2)s1 ZINC000819965314 599628547 /nfs/dbraw/zinc/62/85/47/599628547.db2.gz AYAZKFWJYAYCCK-CMDGGOBGSA-N -1 3 354.439 3.273 20 0 FGADHM CC(C)(C)c1ncc(C=CC(=O)Nc2ccccc2-c2nn[n-]n2)s1 ZINC000819965314 599628548 /nfs/dbraw/zinc/62/85/48/599628548.db2.gz AYAZKFWJYAYCCK-CMDGGOBGSA-N -1 3 354.439 3.273 20 0 FGADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)/C=C(\C)C(C)(C)C ZINC000821699584 599629659 /nfs/dbraw/zinc/62/96/59/599629659.db2.gz VOSDKBCZJHYAIH-RMKNXTFCSA-N -1 3 350.806 3.427 20 0 FGADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)/C=C(\C)C(C)(C)C ZINC000821699584 599629660 /nfs/dbraw/zinc/62/96/60/599629660.db2.gz VOSDKBCZJHYAIH-RMKNXTFCSA-N -1 3 350.806 3.427 20 0 FGADHM Cc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c(C)o1 ZINC000822176454 599632330 /nfs/dbraw/zinc/63/23/30/599632330.db2.gz KFBKUHUDRMZUFI-UHFFFAOYSA-N -1 3 351.288 3.348 20 0 FGADHM Cc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c(C)o1 ZINC000822176454 599632331 /nfs/dbraw/zinc/63/23/31/599632331.db2.gz KFBKUHUDRMZUFI-UHFFFAOYSA-N -1 3 351.288 3.348 20 0 FGADHM C[C@@H]1CCc2ccccc2N1Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000820733033 599635564 /nfs/dbraw/zinc/63/55/64/599635564.db2.gz CHYNVJZECYPSOF-CYBMUJFWSA-N -1 3 373.420 3.258 20 0 FGADHM C[C@@H]1CCc2ccccc2N1Cc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000820733033 599635565 /nfs/dbraw/zinc/63/55/65/599635565.db2.gz CHYNVJZECYPSOF-CYBMUJFWSA-N -1 3 373.420 3.258 20 0 FGADHM CC[C@H]1C[C@H](C)CN1C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000820967657 599656164 /nfs/dbraw/zinc/65/61/64/599656164.db2.gz SCEMVFTZJLSSFP-HOCLYGCPSA-N -1 3 357.458 3.063 20 0 FGADHM CC[C@H]1C[C@H](C)CN1C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000820967657 599656165 /nfs/dbraw/zinc/65/61/65/599656165.db2.gz SCEMVFTZJLSSFP-HOCLYGCPSA-N -1 3 357.458 3.063 20 0 FGADHM O=C(OCCOc1cccc(-c2nnn[n-]2)c1)[C@@H]1C[C@H]1C1CCCCC1 ZINC000823410490 599665691 /nfs/dbraw/zinc/66/56/91/599665691.db2.gz XQGSIPYINGUEBN-DLBZAZTESA-N -1 3 356.426 3.005 20 0 FGADHM O=C(OCCOc1cccc(-c2nn[n-]n2)c1)[C@@H]1C[C@H]1C1CCCCC1 ZINC000823410490 599665692 /nfs/dbraw/zinc/66/56/92/599665692.db2.gz XQGSIPYINGUEBN-DLBZAZTESA-N -1 3 356.426 3.005 20 0 FGADHM CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000819908185 599667800 /nfs/dbraw/zinc/66/78/00/599667800.db2.gz XFZLGZHNJOFXPH-ZBFHGGJFSA-N -1 3 374.464 3.410 20 0 FGADHM CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000819908185 599667801 /nfs/dbraw/zinc/66/78/01/599667801.db2.gz XFZLGZHNJOFXPH-ZBFHGGJFSA-N -1 3 374.464 3.410 20 0 FGADHM CC(C)[C@H]1CCCC[C@H]1NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000820038096 599673722 /nfs/dbraw/zinc/67/37/22/599673722.db2.gz KPIPUCAUOKATBG-GDBMZVCRSA-N -1 3 360.437 3.020 20 0 FGADHM CC(C)[C@H]1CCCC[C@H]1NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000820038096 599673723 /nfs/dbraw/zinc/67/37/23/599673723.db2.gz KPIPUCAUOKATBG-GDBMZVCRSA-N -1 3 360.437 3.020 20 0 FGADHM C[C@H](NC(=O)NC1(c2ccccc2F)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820358242 599681501 /nfs/dbraw/zinc/68/15/01/599681501.db2.gz LSTJNYZWTQWOPN-LBPRGKRZSA-N -1 3 366.400 3.055 20 0 FGADHM C[C@H](NC(=O)NC1(c2ccccc2F)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820358242 599681502 /nfs/dbraw/zinc/68/15/02/599681502.db2.gz LSTJNYZWTQWOPN-LBPRGKRZSA-N -1 3 366.400 3.055 20 0 FGADHM Cc1ccsc1CCCC(=O)OCCOc1ccccc1-c1nnn[n-]1 ZINC000826316431 607391613 /nfs/dbraw/zinc/39/16/13/607391613.db2.gz NXHDSTWPWCIPAW-UHFFFAOYSA-N -1 3 372.450 3.182 20 0 FGADHM Cc1ccsc1CCCC(=O)OCCOc1ccccc1-c1nn[n-]n1 ZINC000826316431 607391615 /nfs/dbraw/zinc/39/16/15/607391615.db2.gz NXHDSTWPWCIPAW-UHFFFAOYSA-N -1 3 372.450 3.182 20 0 FGADHM C[C@@H](c1ccc(C(=O)[O-])o1)N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000736715704 599791557 /nfs/dbraw/zinc/79/15/57/599791557.db2.gz VZNCRZVYSDDYTQ-STQMWFEESA-N -1 3 352.431 3.228 20 0 FGADHM CC(C)Oc1ccc(NC(=O)CC2CCSCC2)cc1-c1nnn[n-]1 ZINC000820160392 607396868 /nfs/dbraw/zinc/39/68/68/607396868.db2.gz ISMRJDBTPHKKFU-UHFFFAOYSA-N -1 3 361.471 3.126 20 0 FGADHM CC(C)Oc1ccc(NC(=O)CC2CCSCC2)cc1-c1nn[n-]n1 ZINC000820160392 607396869 /nfs/dbraw/zinc/39/68/69/607396869.db2.gz ISMRJDBTPHKKFU-UHFFFAOYSA-N -1 3 361.471 3.126 20 0 FGADHM COc1ccc([C@H](NCc2cc(=O)oc3cc(C)ccc23)C(=O)[O-])cc1 ZINC000737973545 599859729 /nfs/dbraw/zinc/85/97/29/599859729.db2.gz QRPXIJOBVRGDMS-IBGZPJMESA-N -1 3 353.374 3.026 20 0 FGADHM CC(C)c1ccccc1OCCC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000824352617 607783017 /nfs/dbraw/zinc/78/30/17/607783017.db2.gz KOAIBPYFMIYMDH-UHFFFAOYSA-N -1 3 357.439 3.459 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000826253393 607406359 /nfs/dbraw/zinc/40/63/59/607406359.db2.gz OBYUXYWMFFAACE-LSDHHAIUSA-N -1 3 370.359 3.300 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000826253393 607406360 /nfs/dbraw/zinc/40/63/60/607406360.db2.gz OBYUXYWMFFAACE-LSDHHAIUSA-N -1 3 370.359 3.300 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)[C@@H](C)Oc1ccccc1Cl ZINC000826252902 607406412 /nfs/dbraw/zinc/40/64/12/607406412.db2.gz XMKGCZFTTBZBAX-GFCCVEGCSA-N -1 3 372.812 3.339 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)[C@@H](C)Oc1ccccc1Cl ZINC000826252902 607406414 /nfs/dbraw/zinc/40/64/14/607406414.db2.gz XMKGCZFTTBZBAX-GFCCVEGCSA-N -1 3 372.812 3.339 20 0 FGADHM O=C([O-])Nc1cccc(C(=O)NC[C@H](c2cccs2)N2CCCC2)c1 ZINC000740028636 599928492 /nfs/dbraw/zinc/92/84/92/599928492.db2.gz FTAOPGVXBCZAJN-OAHLLOKOSA-N -1 3 359.451 3.405 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)C=Cc1ccc2ccccc2n1 ZINC000826253050 607410955 /nfs/dbraw/zinc/41/09/55/607410955.db2.gz DLHYXBBVNULYGG-ZHACJKMWSA-N -1 3 371.400 3.480 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)C=Cc1ccc2ccccc2n1 ZINC000826253050 607410957 /nfs/dbraw/zinc/41/09/57/607410957.db2.gz DLHYXBBVNULYGG-ZHACJKMWSA-N -1 3 371.400 3.480 20 0 FGADHM COc1ccc([C@@H](NCC(=O)Nc2ccc(C(=O)[O-])cc2)C(C)C)cc1 ZINC000737975650 600048487 /nfs/dbraw/zinc/04/84/87/600048487.db2.gz ZNMZVUSBKZKWLA-IBGZPJMESA-N -1 3 356.422 3.319 20 0 FGADHM CCCc1ccc([C@@H](NCC(=O)N2CCC(C(=O)[O-])CC2)C(C)C)cc1 ZINC000737045128 600058108 /nfs/dbraw/zinc/05/81/08/600058108.db2.gz NZXACZXHBSMAIN-FQEVSTJZSA-N -1 3 360.498 3.249 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)[C@H](C)c1cccc(Cl)c1 ZINC000821736403 607418049 /nfs/dbraw/zinc/41/80/49/607418049.db2.gz JBMZOUVWULVYGA-LLVKDONJSA-N -1 3 372.812 3.376 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)[C@H](C)c1cccc(Cl)c1 ZINC000821736403 607418051 /nfs/dbraw/zinc/41/80/51/607418051.db2.gz JBMZOUVWULVYGA-LLVKDONJSA-N -1 3 372.812 3.376 20 0 FGADHM O=C([O-])c1cc(F)ccc1CN1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000740077682 600085061 /nfs/dbraw/zinc/08/50/61/600085061.db2.gz GHNVCQJILAATEV-HNNXBMFYSA-N -1 3 372.444 3.221 20 0 FGADHM Cc1ccc([C@H](C)NC(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)o1 ZINC000822229187 607426788 /nfs/dbraw/zinc/42/67/88/607426788.db2.gz OQCWUEJPAFVJRE-LBPRGKRZSA-N -1 3 370.413 3.438 20 0 FGADHM Cc1ccc([C@H](C)NC(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)o1 ZINC000822229187 607426789 /nfs/dbraw/zinc/42/67/89/607426789.db2.gz OQCWUEJPAFVJRE-LBPRGKRZSA-N -1 3 370.413 3.438 20 0 FGADHM CSCc1ccc(C(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC000826228897 607422606 /nfs/dbraw/zinc/42/26/06/607422606.db2.gz GANDLGVPKRKEFT-UHFFFAOYSA-N -1 3 365.462 3.149 20 0 FGADHM CSCc1ccc(C(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000826228897 607422608 /nfs/dbraw/zinc/42/26/08/607422608.db2.gz GANDLGVPKRKEFT-UHFFFAOYSA-N -1 3 365.462 3.149 20 0 FGADHM CC(=CC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1ccc(F)cc1 ZINC000823943384 607423699 /nfs/dbraw/zinc/42/36/99/607423699.db2.gz PJDNXGCYKBGCHP-QBFSEMIESA-N -1 3 363.396 3.215 20 0 FGADHM CC(=CC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1ccc(F)cc1 ZINC000823943384 607423700 /nfs/dbraw/zinc/42/37/00/607423700.db2.gz PJDNXGCYKBGCHP-QBFSEMIESA-N -1 3 363.396 3.215 20 0 FGADHM O=C(NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1cc(Cl)ccc1F ZINC000826427825 607424505 /nfs/dbraw/zinc/42/45/05/607424505.db2.gz CCGSKUXPFDQAEP-UHFFFAOYSA-N -1 3 357.776 3.078 20 0 FGADHM O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1cc(Cl)ccc1F ZINC000826427825 607424506 /nfs/dbraw/zinc/42/45/06/607424506.db2.gz CCGSKUXPFDQAEP-UHFFFAOYSA-N -1 3 357.776 3.078 20 0 FGADHM O=C(NCC1(Cc2ccccc2)CC1)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000823171100 607425659 /nfs/dbraw/zinc/42/56/59/607425659.db2.gz OKRNTNQQZKLOGV-UHFFFAOYSA-N -1 3 366.400 3.150 20 0 FGADHM O=C(NCC1(Cc2ccccc2)CC1)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000823171100 607425660 /nfs/dbraw/zinc/42/56/60/607425660.db2.gz OKRNTNQQZKLOGV-UHFFFAOYSA-N -1 3 366.400 3.150 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)[C@H]1CCCc2sccc21 ZINC000821736415 607421495 /nfs/dbraw/zinc/42/14/95/607421495.db2.gz JEXCGFNSAUSMDJ-AWEZNQCLSA-N -1 3 370.434 3.100 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)[C@H]1CCCc2sccc21 ZINC000821736415 607421497 /nfs/dbraw/zinc/42/14/97/607421497.db2.gz JEXCGFNSAUSMDJ-AWEZNQCLSA-N -1 3 370.434 3.100 20 0 FGADHM O=C(C[C@H]1CCCc2ccccc21)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826405218 607427610 /nfs/dbraw/zinc/42/76/10/607427610.db2.gz YVRCYDDBUOFBEF-MRXNPFEDSA-N -1 3 373.460 3.482 20 0 FGADHM O=C(C[C@H]1CCCc2ccccc21)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826405218 607427611 /nfs/dbraw/zinc/42/76/11/607427611.db2.gz YVRCYDDBUOFBEF-MRXNPFEDSA-N -1 3 373.460 3.482 20 0 FGADHM Cc1c([O-])ccc2c(C[N@@H+](C)[C@H](C(=O)[O-])c3ccccc3)cc(=O)oc12 ZINC000738304686 600216515 /nfs/dbraw/zinc/21/65/15/600216515.db2.gz AIJJCHXQPWPDAZ-SFHVURJKSA-N -1 3 353.374 3.065 20 0 FGADHM Cc1c([O-])ccc2c(C[N@H+](C)[C@H](C(=O)[O-])c3ccccc3)cc(=O)oc12 ZINC000738304686 600216517 /nfs/dbraw/zinc/21/65/17/600216517.db2.gz AIJJCHXQPWPDAZ-SFHVURJKSA-N -1 3 353.374 3.065 20 0 FGADHM O=C(Cc1cccc(OC(F)(F)F)c1)Nc1sccc1-c1nnn[n-]1 ZINC000826423249 607429327 /nfs/dbraw/zinc/42/93/27/607429327.db2.gz FWGXXWIQQFVIGD-UHFFFAOYSA-N -1 3 369.328 3.008 20 0 FGADHM O=C(Cc1cccc(OC(F)(F)F)c1)Nc1sccc1-c1nn[n-]n1 ZINC000826423249 607429328 /nfs/dbraw/zinc/42/93/28/607429328.db2.gz FWGXXWIQQFVIGD-UHFFFAOYSA-N -1 3 369.328 3.008 20 0 FGADHM O=C([O-])c1ccc(CCC(=O)O[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000739260706 600273236 /nfs/dbraw/zinc/27/32/36/600273236.db2.gz VQMGWETUKPVCDI-IBGZPJMESA-N -1 3 353.418 3.135 20 0 FGADHM Cc1cc(NC(=O)NC[C@@H](C)N(C)Cc2ccccc2)ccc1C(=O)[O-] ZINC000390560761 600393150 /nfs/dbraw/zinc/39/31/50/600393150.db2.gz RWMFUJABTSUXOX-OAHLLOKOSA-N -1 3 355.438 3.335 20 0 FGADHM O=C([O-])[C@@H](c1ccccc1)N1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000738526488 600398563 /nfs/dbraw/zinc/39/85/63/600398563.db2.gz SUSRUUHGCWWVDD-GOSISDBHSA-N -1 3 372.852 3.314 20 0 FGADHM O=C([O-])c1ccc(NC(=O)NC[C@@H](c2ccccc2)N2CCCC2)c(F)c1 ZINC000739402465 600399744 /nfs/dbraw/zinc/39/97/44/600399744.db2.gz CAGSQEISTKKPGB-SFHVURJKSA-N -1 3 371.412 3.483 20 0 FGADHM Cc1cc(NC(=O)NC[C@@H]2CCCN2Cc2ccccc2)ccc1C(=O)[O-] ZINC000390513592 600543601 /nfs/dbraw/zinc/54/36/01/600543601.db2.gz CVJJSBVBVSHQPZ-SFHVURJKSA-N -1 3 367.449 3.479 20 0 FGADHM Cc1cccc([C@@H](C)N[C@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)c1C ZINC000738691308 600640201 /nfs/dbraw/zinc/64/02/01/600640201.db2.gz ONPHAZQIQGOIHD-HZPDHXFCSA-N -1 3 354.450 3.357 20 0 FGADHM CCN1C(=O)c2ccc(Cl)cc2N[C@H]1c1ccc(-c2nnn[n-]2)cc1F ZINC000821243035 607461267 /nfs/dbraw/zinc/46/12/67/607461267.db2.gz YLPNDTSYRXBLGP-MRXNPFEDSA-N -1 3 372.791 3.246 20 0 FGADHM CCN1C(=O)c2ccc(Cl)cc2N[C@H]1c1ccc(-c2nn[n-]n2)cc1F ZINC000821243035 607461268 /nfs/dbraw/zinc/46/12/68/607461268.db2.gz YLPNDTSYRXBLGP-MRXNPFEDSA-N -1 3 372.791 3.246 20 0 FGADHM CN(C)CCN(Cc1cccc(Cl)c1)C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000737370732 600662505 /nfs/dbraw/zinc/66/25/05/600662505.db2.gz RNZCLJAJKZWHJB-HZPDHXFCSA-N -1 3 366.889 3.121 20 0 FGADHM O=C([O-])[C@H](OC(=O)C1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC000740290551 600804535 /nfs/dbraw/zinc/80/45/35/600804535.db2.gz UINVNVSAJGOBCB-LJQANCHMSA-N -1 3 371.408 3.407 20 0 FGADHM Fc1cc(-c2nnn[n-]2)ccc1CNCc1cccnc1OC1CCCC1 ZINC000822744119 607474349 /nfs/dbraw/zinc/47/43/49/607474349.db2.gz MUXVPCJDZNBWJU-UHFFFAOYSA-N -1 3 368.416 3.012 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1CNCc1cccnc1OC1CCCC1 ZINC000822744119 607474350 /nfs/dbraw/zinc/47/43/50/607474350.db2.gz MUXVPCJDZNBWJU-UHFFFAOYSA-N -1 3 368.416 3.012 20 0 FGADHM COc1ccc(CN(C)Cc2c(F)cccc2Cl)cc1-c1nnn[n-]1 ZINC000826193273 607480171 /nfs/dbraw/zinc/48/01/71/607480171.db2.gz YATQNESRSNWAEL-UHFFFAOYSA-N -1 3 361.808 3.300 20 0 FGADHM COc1ccc(CN(C)Cc2c(F)cccc2Cl)cc1-c1nn[n-]n1 ZINC000826193273 607480172 /nfs/dbraw/zinc/48/01/72/607480172.db2.gz YATQNESRSNWAEL-UHFFFAOYSA-N -1 3 361.808 3.300 20 0 FGADHM CC(C)Oc1ccc(NC(=O)c2cnc(C(C)C)s2)cc1-c1nnn[n-]1 ZINC000820173629 607499294 /nfs/dbraw/zinc/49/92/94/607499294.db2.gz JZKYMWVKBGIDGR-UHFFFAOYSA-N -1 3 372.454 3.486 20 0 FGADHM CC(C)Oc1ccc(NC(=O)c2cnc(C(C)C)s2)cc1-c1nn[n-]n1 ZINC000820173629 607499296 /nfs/dbraw/zinc/49/92/96/607499296.db2.gz JZKYMWVKBGIDGR-UHFFFAOYSA-N -1 3 372.454 3.486 20 0 FGADHM Cc1oc(CN(C)CC(C)(C)CNC(=O)OC(C)(C)C)cc1C(=O)[O-] ZINC000833025519 601308883 /nfs/dbraw/zinc/30/88/83/601308883.db2.gz LUGKKRJBMNAPTC-UHFFFAOYSA-N -1 3 354.447 3.269 20 0 FGADHM CCc1oc(C(=O)[O-])cc1CN1CCC(C(=O)NC2CCCCC2)CC1 ZINC000830362692 601414595 /nfs/dbraw/zinc/41/45/95/601414595.db2.gz HMQOBQBKNGFDCJ-UHFFFAOYSA-N -1 3 362.470 3.201 20 0 FGADHM CCCCn1ncc(NC(=O)Nc2cc(-c3nnn[n-]3)ccc2C)c1C ZINC000821082749 607506972 /nfs/dbraw/zinc/50/69/72/607506972.db2.gz NCSKLBRZTCBFGS-UHFFFAOYSA-N -1 3 354.418 3.124 20 0 FGADHM CCCCn1ncc(NC(=O)Nc2cc(-c3nn[n-]n3)ccc2C)c1C ZINC000821082749 607506974 /nfs/dbraw/zinc/50/69/74/607506974.db2.gz NCSKLBRZTCBFGS-UHFFFAOYSA-N -1 3 354.418 3.124 20 0 FGADHM Cc1sc(C(=O)[O-])cc1CN1CCC(NC(=O)c2ccccc2)CC1 ZINC000833032989 601616483 /nfs/dbraw/zinc/61/64/83/601616483.db2.gz SIZYVYNLSOINEK-UHFFFAOYSA-N -1 3 358.463 3.149 20 0 FGADHM C[C@@H](C(=O)[O-])[C@@H](NCC(=O)NCCc1ccc(Cl)cc1)c1ccccc1 ZINC000826055359 601651456 /nfs/dbraw/zinc/65/14/56/601651456.db2.gz ZHRNUIKCBDWMHX-AUUYWEPGSA-N -1 3 374.868 3.050 20 0 FGADHM Cc1cc(C(=O)Nc2ccccc2CN(C)C)cc(C)c1OCC(=O)[O-] ZINC000832867232 601675752 /nfs/dbraw/zinc/67/57/52/601675752.db2.gz QQQMOPACSWFOPF-UHFFFAOYSA-N -1 3 356.422 3.081 20 0 FGADHM C[C@@H]1CCC[C@H](C(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)C1 ZINC000828232150 601728684 /nfs/dbraw/zinc/72/86/84/601728684.db2.gz BKLOJYPKSZETTG-PLMTUMEDSA-N -1 3 358.482 3.048 20 0 FGADHM O=C([O-])c1sccc1CN1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000833159157 601810099 /nfs/dbraw/zinc/81/00/99/601810099.db2.gz GPAYWBSPFCNOAA-UHFFFAOYSA-N -1 3 359.451 3.232 20 0 FGADHM CCCN(Cc1ccc(C)cc1)C(=O)CN1CCC(CCC(=O)[O-])CC1 ZINC000662217087 601842671 /nfs/dbraw/zinc/84/26/71/601842671.db2.gz DKGPEPMVXYSAMP-UHFFFAOYSA-N -1 3 360.498 3.310 20 0 FGADHM CCN(c1cc(C)ccc1C)S(=O)(=O)c1cccc(C)c1-c1nnn[n-]1 ZINC000825445024 607533102 /nfs/dbraw/zinc/53/31/02/607533102.db2.gz UOCAIJXOXCWNCH-UHFFFAOYSA-N -1 3 371.466 3.007 20 0 FGADHM CCN(c1cc(C)ccc1C)S(=O)(=O)c1cccc(C)c1-c1nn[n-]n1 ZINC000825445024 607533104 /nfs/dbraw/zinc/53/31/04/607533104.db2.gz UOCAIJXOXCWNCH-UHFFFAOYSA-N -1 3 371.466 3.007 20 0 FGADHM CN(CCOc1ccccc1F)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830795522 601906498 /nfs/dbraw/zinc/90/64/98/601906498.db2.gz WLPXDDPMQXTLES-MRXNPFEDSA-N -1 3 357.303 3.380 20 0 FGADHM Cc1cccc(NC(=O)[C@@H]2CCCN(Cc3ccc(C(=O)[O-])s3)C2)n1 ZINC000832970372 601942861 /nfs/dbraw/zinc/94/28/61/601942861.db2.gz IPIJETFHIHJDHL-CYBMUJFWSA-N -1 3 359.451 3.000 20 0 FGADHM O=C([O-])c1ccc(CN2CCC[C@@H](CNC(=O)c3ccccc3)C2)s1 ZINC000833139834 601961894 /nfs/dbraw/zinc/96/18/94/601961894.db2.gz LNBKHRLOIGCLLF-AWEZNQCLSA-N -1 3 358.463 3.088 20 0 FGADHM C[C@@H]1C[C@@H](NC(=O)c2cc(NC(=O)[O-])cc(C(F)(F)F)c2)CN1C1CC1 ZINC000828177670 602028977 /nfs/dbraw/zinc/02/89/77/602028977.db2.gz RKCHSMNYGQFLCD-NOZJJQNGSA-N -1 3 371.359 3.150 20 0 FGADHM CCCNC(=O)[C@@H]1CCCN([C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)C1 ZINC000829507998 602036992 /nfs/dbraw/zinc/03/69/92/602036992.db2.gz MOYCOJARSXNJMJ-ABAIWWIYSA-N -1 3 373.280 3.357 20 0 FGADHM COc1ccc(CSc2ccc(NC(C)=O)cc2)cc1-c1nnn[n-]1 ZINC000826208212 607541184 /nfs/dbraw/zinc/54/11/84/607541184.db2.gz YTJMSMRTHRVOOC-UHFFFAOYSA-N -1 3 355.423 3.126 20 0 FGADHM COc1ccc(CSc2ccc(NC(C)=O)cc2)cc1-c1nn[n-]n1 ZINC000826208212 607541186 /nfs/dbraw/zinc/54/11/86/607541186.db2.gz YTJMSMRTHRVOOC-UHFFFAOYSA-N -1 3 355.423 3.126 20 0 FGADHM CC(C)OC(=O)c1ccc(CSc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000824309503 607543412 /nfs/dbraw/zinc/54/34/12/607543412.db2.gz RFXYTVDSBWWKNR-UHFFFAOYSA-N -1 3 355.423 3.119 20 0 FGADHM CC(C)OC(=O)c1ccc(CSc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000824309503 607543413 /nfs/dbraw/zinc/54/34/13/607543413.db2.gz RFXYTVDSBWWKNR-UHFFFAOYSA-N -1 3 355.423 3.119 20 0 FGADHM COc1cc(OC)cc(N2CCCN(Cc3cc(C(=O)[O-])c(C)o3)CC2)c1 ZINC000832087790 602241809 /nfs/dbraw/zinc/24/18/09/602241809.db2.gz BDJBVFYGYOOFTJ-UHFFFAOYSA-N -1 3 374.437 3.016 20 0 FGADHM COc1cc(OC)cc(N2CCCN(Cc3cc(C)c(C(=O)[O-])o3)CC2)c1 ZINC000832088904 602242001 /nfs/dbraw/zinc/24/20/01/602242001.db2.gz WPGHLAYLEQJXJD-UHFFFAOYSA-N -1 3 374.437 3.016 20 0 FGADHM C[C@H](NC(=O)[O-])[C@@H]1CCCCN1C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000739012518 602263542 /nfs/dbraw/zinc/26/35/42/602263542.db2.gz UWLAAEMAORATIO-TUKIKUTGSA-N -1 3 360.376 3.249 20 0 FGADHM COc1ccc(CNc2ncnc3c4ccccc4oc32)cc1-c1nnn[n-]1 ZINC000826204772 607560463 /nfs/dbraw/zinc/56/04/63/607560463.db2.gz YYRHPTSWYRLYMI-UHFFFAOYSA-N -1 3 373.376 3.177 20 0 FGADHM COc1ccc(CNc2ncnc3c4ccccc4oc32)cc1-c1nn[n-]n1 ZINC000826204772 607560464 /nfs/dbraw/zinc/56/04/64/607560464.db2.gz YYRHPTSWYRLYMI-UHFFFAOYSA-N -1 3 373.376 3.177 20 0 FGADHM C[C@@H](CNC(=O)Nc1ccc(C(=O)[O-])c(F)c1)N(C)Cc1ccccc1 ZINC000390531223 602382656 /nfs/dbraw/zinc/38/26/56/602382656.db2.gz IRLBZURGFCIXIB-ZDUSSCGKSA-N -1 3 359.401 3.166 20 0 FGADHM C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)Nc2ccc(C(=O)[O-])c(F)c2)C1 ZINC000827948893 602389044 /nfs/dbraw/zinc/38/90/44/602389044.db2.gz HCPQFLHHTXWPIG-XJKSGUPXSA-N -1 3 371.412 3.481 20 0 FGADHM CCCC[C@@H](CCC)NC(=O)NCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000825261373 607566682 /nfs/dbraw/zinc/56/66/82/607566682.db2.gz YCILQPUOOCXEKE-CQSZACIVSA-N -1 3 360.462 3.033 20 0 FGADHM CCCC[C@@H](CCC)NC(=O)NCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000825261373 607566683 /nfs/dbraw/zinc/56/66/83/607566683.db2.gz YCILQPUOOCXEKE-CQSZACIVSA-N -1 3 360.462 3.033 20 0 FGADHM O=C([O-])N1CCC[C@@H](CN2CCC(C(=O)c3cc(F)ccc3F)CC2)C1 ZINC000740728929 602703580 /nfs/dbraw/zinc/70/35/80/602703580.db2.gz IAPGMDLVCJDBGY-ZDUSSCGKSA-N -1 3 366.408 3.250 20 0 FGADHM O=C([O-])NCc1cccc(OC(=O)[C@@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000740679030 602730046 /nfs/dbraw/zinc/73/00/46/602730046.db2.gz HYNSRDSSHUXQPJ-GOSISDBHSA-N -1 3 368.433 3.272 20 0 FGADHM COc1ccc(-c2nc(CN[C@@H]3CCC[C@@H]3CNC(=O)[O-])cs2)cc1 ZINC000829243235 603168245 /nfs/dbraw/zinc/16/82/45/603168245.db2.gz MNCRXKCJGUGFRZ-CZUORRHYSA-N -1 3 361.467 3.345 20 0 FGADHM C[C@H](C(=O)N[C@H](CN(C)C)c1ccccc1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823677772 603254215 /nfs/dbraw/zinc/25/42/15/603254215.db2.gz NTSFGPUGJRYBSZ-KFKAGJAMSA-N -1 3 369.465 3.051 20 0 FGADHM C[C@@H](C(=O)Nc1ccccc1CN(C)C)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823722508 603316832 /nfs/dbraw/zinc/31/68/32/603316832.db2.gz FHOUAFQRJSGEDF-RDTXWAMCSA-N -1 3 355.438 3.332 20 0 FGADHM C[C@H](C(=O)Nc1cccc(CN(C)C)c1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823712911 603317162 /nfs/dbraw/zinc/31/71/62/603317162.db2.gz LOCJZIOQPKKCOD-KSSFIOAISA-N -1 3 355.438 3.332 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1CN1CCc2cccc(F)c2[C@H]1C ZINC000826184380 607630422 /nfs/dbraw/zinc/63/04/22/607630422.db2.gz UYWCBHNVZGGACR-GFCCVEGCSA-N -1 3 353.401 3.134 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@H]1CCSc2c(F)cccc21 ZINC000826247726 607653135 /nfs/dbraw/zinc/65/31/35/607653135.db2.gz MFALYXCBRGFQOQ-HNNXBMFYSA-N -1 3 369.425 3.281 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@H]1CCSc2c(F)cccc21 ZINC000826247726 607653137 /nfs/dbraw/zinc/65/31/37/607653137.db2.gz MFALYXCBRGFQOQ-HNNXBMFYSA-N -1 3 369.425 3.281 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000826243241 607653227 /nfs/dbraw/zinc/65/32/27/607653227.db2.gz AFDZXBWSAPEPFT-NSHDSACASA-N -1 3 357.364 3.287 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000826243241 607653229 /nfs/dbraw/zinc/65/32/29/607653229.db2.gz AFDZXBWSAPEPFT-NSHDSACASA-N -1 3 357.364 3.287 20 0 FGADHM C[N@H+](Cc1nc2c3ccccc3oc2c(=O)[n-]1)C1CCC(NC(=O)[O-])CC1 ZINC000828416681 603837195 /nfs/dbraw/zinc/83/71/95/603837195.db2.gz MRFZKGHPAWGSFD-UHFFFAOYSA-N -1 3 370.409 3.092 20 0 FGADHM C[N@@H+](Cc1nc2c3ccccc3oc2c(=O)[n-]1)C1CCC(NC(=O)[O-])CC1 ZINC000828416681 603837196 /nfs/dbraw/zinc/83/71/96/603837196.db2.gz MRFZKGHPAWGSFD-UHFFFAOYSA-N -1 3 370.409 3.092 20 0 FGADHM C[C@H]1C[C@H](NC(=O)c2ccc(F)c(NC(=O)[O-])c2)CN1Cc1ccccc1 ZINC000825850541 603967132 /nfs/dbraw/zinc/96/71/32/603967132.db2.gz CZKYUPZOLNYPEF-BBRMVZONSA-N -1 3 371.412 3.308 20 0 FGADHM C[C@@H]1C[C@@H](NC(=O)c2ccc(F)c(NC(=O)[O-])c2)CN1Cc1ccccc1 ZINC000825850545 603967265 /nfs/dbraw/zinc/96/72/65/603967265.db2.gz CZKYUPZOLNYPEF-CZUORRHYSA-N -1 3 371.412 3.308 20 0 FGADHM CCCOCc1ccccc1CNC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000825338821 607664571 /nfs/dbraw/zinc/66/45/71/607664571.db2.gz IQAVHSBCLKYJEY-UHFFFAOYSA-N -1 3 365.437 3.032 20 0 FGADHM CCCOCc1ccccc1CNC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000825338821 607664573 /nfs/dbraw/zinc/66/45/73/607664573.db2.gz IQAVHSBCLKYJEY-UHFFFAOYSA-N -1 3 365.437 3.032 20 0 FGADHM C[C@@H]1C[C@@H](NC(=O)Cc2ccc(NC(=O)[O-])cc2)CN1Cc1ccccc1 ZINC000825794668 604006692 /nfs/dbraw/zinc/00/66/92/604006692.db2.gz NYLZBECVDPYURH-DNVCBOLYSA-N -1 3 367.449 3.098 20 0 FGADHM Cc1ccc(OCCCCNC(=O)c2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000826292302 607666194 /nfs/dbraw/zinc/66/61/94/607666194.db2.gz OZZZBTCPIOOQFH-UHFFFAOYSA-N -1 3 365.437 3.073 20 0 FGADHM Cc1ccc(OCCCCNC(=O)c2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000826292302 607666196 /nfs/dbraw/zinc/66/61/96/607666196.db2.gz OZZZBTCPIOOQFH-UHFFFAOYSA-N -1 3 365.437 3.073 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCC[C@H]1Cc1cccc(F)c1 ZINC000826244717 607666816 /nfs/dbraw/zinc/66/68/16/607666816.db2.gz BIVKUMQHXZVIHC-KRWDZBQOSA-N -1 3 365.412 3.162 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCC[C@H]1Cc1cccc(F)c1 ZINC000826244717 607666817 /nfs/dbraw/zinc/66/68/17/607666817.db2.gz BIVKUMQHXZVIHC-KRWDZBQOSA-N -1 3 365.412 3.162 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1cccc(OCC(C)C)c1 ZINC000826250513 607667368 /nfs/dbraw/zinc/66/73/68/607667368.db2.gz FDQZMWZHABOVCS-UHFFFAOYSA-N -1 3 351.410 3.462 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1cccc(OCC(C)C)c1 ZINC000826250513 607667372 /nfs/dbraw/zinc/66/73/72/607667372.db2.gz FDQZMWZHABOVCS-UHFFFAOYSA-N -1 3 351.410 3.462 20 0 FGADHM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(Cc2ccc(SC(=O)N(C)C)cc2)C1 ZINC000825264607 604181629 /nfs/dbraw/zinc/18/16/29/604181629.db2.gz LTKITFLXYNICLO-UKRRQHHQSA-N -1 3 365.499 3.328 20 0 FGADHM FC(F)(F)c1cc(N2CCC[C@H]([C@@H]3CCOC3)C2)ccc1-c1nnn[n-]1 ZINC000826368342 607682093 /nfs/dbraw/zinc/68/20/93/607682093.db2.gz MBMLRGAZBIEYJN-NWDGAFQWSA-N -1 3 367.375 3.138 20 0 FGADHM FC(F)(F)c1cc(N2CCC[C@H]([C@@H]3CCOC3)C2)ccc1-c1nn[n-]n1 ZINC000826368342 607682095 /nfs/dbraw/zinc/68/20/95/607682095.db2.gz MBMLRGAZBIEYJN-NWDGAFQWSA-N -1 3 367.375 3.138 20 0 FGADHM CN(Cc1ccc(NC(=O)N2CCN(C3CCCCC3)CC2)cc1)C(=O)[O-] ZINC000830835833 604338260 /nfs/dbraw/zinc/33/82/60/604338260.db2.gz NLNYNVVSQFMLPU-UHFFFAOYSA-N -1 3 374.485 3.279 20 0 FGADHM O=C(CNc1cccc2ccsc21)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000826414209 607687700 /nfs/dbraw/zinc/68/77/00/607687700.db2.gz KKAYMJMPNPFEHL-UHFFFAOYSA-N -1 3 350.407 3.132 20 0 FGADHM O=C(CNc1cccc2ccsc21)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000826414209 607687702 /nfs/dbraw/zinc/68/77/02/607687702.db2.gz KKAYMJMPNPFEHL-UHFFFAOYSA-N -1 3 350.407 3.132 20 0 FGADHM COc1ccc([C@H](C)NC[C@@H](NC(=O)[O-])c2ccccc2)cc1NC(C)=O ZINC000829304194 604380116 /nfs/dbraw/zinc/38/01/16/604380116.db2.gz YDZFXNMNTWTYAZ-SCLBCKFNSA-N -1 3 371.437 3.313 20 0 FGADHM CCCc1c(C(=O)N2CCN(C3CCCCC3)CC2)[nH]c(C)c1C(=O)[O-] ZINC000829555331 604411409 /nfs/dbraw/zinc/41/14/09/604411409.db2.gz BHEXNIJJHFRROQ-UHFFFAOYSA-N -1 3 361.486 3.064 20 0 FGADHM COc1cc(OC)cc([C@H](C(=O)[O-])N2CCC(c3nccs3)CC2)c1 ZINC000832041323 604462826 /nfs/dbraw/zinc/46/28/26/604462826.db2.gz REBMGYAGRANJQB-MRXNPFEDSA-N -1 3 362.451 3.166 20 0 FGADHM CCCOc1ccc(CN2Cc3ccccc3C[C@H]2C(=O)[O-])cc1OC ZINC000829532564 604466575 /nfs/dbraw/zinc/46/65/75/604466575.db2.gz SBTZBWCKFBPKIZ-SFHVURJKSA-N -1 3 355.434 3.496 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccc(OCC(F)F)cc1 ZINC000826250170 607700468 /nfs/dbraw/zinc/70/04/68/607700468.db2.gz NXZBXJYGWJOLGH-UHFFFAOYSA-N -1 3 359.336 3.071 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccc(OCC(F)F)cc1 ZINC000826250170 607700469 /nfs/dbraw/zinc/70/04/69/607700469.db2.gz NXZBXJYGWJOLGH-UHFFFAOYSA-N -1 3 359.336 3.071 20 0 FGADHM CC(C)CN(CCN(C)C)C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000826876247 604517770 /nfs/dbraw/zinc/51/77/70/604517770.db2.gz ZEZOFACOHRCOEX-KRWDZBQOSA-N -1 3 363.502 3.068 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CC[C@H]1c1ccc(Cl)cc1 ZINC000826245452 607696052 /nfs/dbraw/zinc/69/60/52/607696052.db2.gz YHZYKLUCXGOVDK-INIZCTEOSA-N -1 3 353.813 3.416 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CC[C@H]1c1ccc(Cl)cc1 ZINC000826245452 607696054 /nfs/dbraw/zinc/69/60/54/607696054.db2.gz YHZYKLUCXGOVDK-INIZCTEOSA-N -1 3 353.813 3.416 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NC[C@H](C)Oc1ccc(Cl)cc1 ZINC000826247377 607697176 /nfs/dbraw/zinc/69/71/76/607697176.db2.gz ASWFJGQXTOMCQE-LBPRGKRZSA-N -1 3 371.828 3.026 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NC[C@H](C)Oc1ccc(Cl)cc1 ZINC000826247377 607697177 /nfs/dbraw/zinc/69/71/77/607697177.db2.gz ASWFJGQXTOMCQE-LBPRGKRZSA-N -1 3 371.828 3.026 20 0 FGADHM O=C(Nc1ccccc1N1CCc2ccccc21)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826457597 607697330 /nfs/dbraw/zinc/69/73/30/607697330.db2.gz IGOFURGAZUWORE-UHFFFAOYSA-N -1 3 371.404 3.141 20 0 FGADHM O=C(Nc1ccccc1N1CCc2ccccc21)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826457597 607697331 /nfs/dbraw/zinc/69/73/31/607697331.db2.gz IGOFURGAZUWORE-UHFFFAOYSA-N -1 3 371.404 3.141 20 0 FGADHM c1oc(-c2ccccc2)nc1CNC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826519408 607705572 /nfs/dbraw/zinc/70/55/72/607705572.db2.gz XLBQZHUYLGDBEY-UHFFFAOYSA-N -1 3 358.405 3.301 20 0 FGADHM c1oc(-c2ccccc2)nc1CNC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826519408 607705573 /nfs/dbraw/zinc/70/55/73/607705573.db2.gz XLBQZHUYLGDBEY-UHFFFAOYSA-N -1 3 358.405 3.301 20 0 FGADHM CCN(C(=O)c1nc(C)sc1C)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825390202 607705223 /nfs/dbraw/zinc/70/52/23/607705223.db2.gz ANAIXBKHKOCHFZ-SNVBAGLBSA-N -1 3 356.455 3.163 20 0 FGADHM CCN(C(=O)c1nc(C)sc1C)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825390202 607705225 /nfs/dbraw/zinc/70/52/25/607705225.db2.gz ANAIXBKHKOCHFZ-SNVBAGLBSA-N -1 3 356.455 3.163 20 0 FGADHM Cc1nc(Cl)ccc1C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000826326638 607712456 /nfs/dbraw/zinc/71/24/56/607712456.db2.gz XZIRSDZCTUKEIK-UHFFFAOYSA-N -1 3 370.844 3.274 20 0 FGADHM Cc1nc(Cl)ccc1C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000826326638 607712457 /nfs/dbraw/zinc/71/24/57/607712457.db2.gz XZIRSDZCTUKEIK-UHFFFAOYSA-N -1 3 370.844 3.274 20 0 FGADHM COc1ccccc1[C@H](CN[C@H](C)c1ccc2c(c1)OCCO2)NC(=O)[O-] ZINC000829597648 604759885 /nfs/dbraw/zinc/75/98/85/604759885.db2.gz JNZGVPDAABQLIT-CJNGLKHVSA-N -1 3 372.421 3.126 20 0 FGADHM O=C([O-])CC1(NCc2csc(-c3ccccc3F)n2)CCOCC1 ZINC000662211949 604791516 /nfs/dbraw/zinc/79/15/16/604791516.db2.gz HXCKFKCTPYUQFH-UHFFFAOYSA-N -1 3 350.415 3.063 20 0 FGADHM CN(C(=O)c1ccc(F)c(NC(=O)[O-])c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000827939302 604899313 /nfs/dbraw/zinc/89/93/13/604899313.db2.gz WSIPNTUFNWQVAN-INIZCTEOSA-N -1 3 371.412 3.262 20 0 FGADHM CCc1ccc([C@@H](CNC(=O)c2ccc(C(=O)[O-])c(F)c2)N(C)C)cc1 ZINC000830237742 604914452 /nfs/dbraw/zinc/91/44/52/604914452.db2.gz MFVUWNTXFKDYNG-GOSISDBHSA-N -1 3 358.413 3.119 20 0 FGADHM 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3.377 20 0 FGADHM CC(C)(C(=O)[O-])[C@@H](NCC(=O)Nc1cc(F)cc(F)c1)c1ccccc1 ZINC000833411465 605176996 /nfs/dbraw/zinc/17/69/96/605176996.db2.gz CANRZWBBWZUTDC-KRWDZBQOSA-N -1 3 362.376 3.345 20 0 FGADHM Cc1cccc(C2(O)CCN(CCOc3ccccc3C(=O)[O-])CC2)c1C ZINC000833752405 605214269 /nfs/dbraw/zinc/21/42/69/605214269.db2.gz IKTFEKWPLUVZBH-UHFFFAOYSA-N -1 3 369.461 3.364 20 0 FGADHM C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NCC2(C(=O)[O-])CCCCC2)C1 ZINC000833547560 605384911 /nfs/dbraw/zinc/38/49/11/605384911.db2.gz BUWHRCJPKMCLMN-WMZOPIPTSA-N -1 3 373.497 3.156 20 0 FGADHM C[C@@H]1CC[C@H](NC(=O)NCc2ccc(-c3nnn[n-]3)cc2)c2ccccc21 ZINC000824915323 607755334 /nfs/dbraw/zinc/75/53/34/607755334.db2.gz CTPZXFZOMNTYMB-ACJLOTCBSA-N -1 3 362.437 3.305 20 0 FGADHM C[C@@H]1CC[C@H](NC(=O)NCc2ccc(-c3nn[n-]n3)cc2)c2ccccc21 ZINC000824915323 607755335 /nfs/dbraw/zinc/75/53/35/607755335.db2.gz CTPZXFZOMNTYMB-ACJLOTCBSA-N -1 3 362.437 3.305 20 0 FGADHM O=C([O-])Nc1ccc2c(c1)CC[C@@H]2NCc1ccc(C(=O)NC2CC2)cc1 ZINC000834262634 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365.422 3.187 20 0 FGADHM Cc1occc1C(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000826342440 607770510 /nfs/dbraw/zinc/77/05/10/607770510.db2.gz KIURLAPEBIXLSX-UHFFFAOYSA-N -1 3 352.379 3.144 20 0 FGADHM Cc1occc1C(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826342440 607770511 /nfs/dbraw/zinc/77/05/11/607770511.db2.gz KIURLAPEBIXLSX-UHFFFAOYSA-N -1 3 352.379 3.144 20 0 FGADHM Cc1cc(C(=O)Nc2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)oc1C ZINC000826260920 607771362 /nfs/dbraw/zinc/77/13/62/607771362.db2.gz KAEQFMGIBQDYMB-UHFFFAOYSA-N -1 3 366.406 3.452 20 0 FGADHM Cc1cc(C(=O)Nc2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)oc1C ZINC000826260920 607771363 /nfs/dbraw/zinc/77/13/63/607771363.db2.gz KAEQFMGIBQDYMB-UHFFFAOYSA-N -1 3 366.406 3.452 20 0 FGADHM O=C([O-])N[C@@H]1C[C@@H](NCc2ccc(N3CCCC3=O)cc2)c2ccccc21 ZINC000834157169 605788819 /nfs/dbraw/zinc/78/88/19/605788819.db2.gz GOHZRVHUEJNDIY-RTBURBONSA-N -1 3 365.433 3.357 20 0 FGADHM O=C([O-])N[C@H]1C[C@@H](NCc2ccnc(N3CCCC3)c2)c2ccccc21 ZINC000834159015 605792823 /nfs/dbraw/zinc/79/28/23/605792823.db2.gz QREZBZNSJVECPB-MSOLQXFVSA-N -1 3 352.438 3.225 20 0 FGADHM CCCN(C(=O)c1cccc(CN2CCCC2)c1)C1CCN(C(=O)[O-])CC1 ZINC000826887264 605821737 /nfs/dbraw/zinc/82/17/37/605821737.db2.gz OJBJPYOFBNOGON-UHFFFAOYSA-N -1 3 373.497 3.277 20 0 FGADHM CC(C)Nc1ccc(F)cc1NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000820137642 606024018 /nfs/dbraw/zinc/02/40/18/606024018.db2.gz MXLHLGUFRGKAHL-JXMROGBWSA-N -1 3 366.400 3.478 20 0 FGADHM CC(C)Nc1ccc(F)cc1NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000820137642 606024024 /nfs/dbraw/zinc/02/40/24/606024024.db2.gz MXLHLGUFRGKAHL-JXMROGBWSA-N -1 3 366.400 3.478 20 0 FGADHM Cc1nc(-c2ccc(CNc3ccc(-c4nnn[n-]4)nc3)s2)cs1 ZINC000822419791 606032046 /nfs/dbraw/zinc/03/20/46/606032046.db2.gz WAHZYPGGNWZOIM-UHFFFAOYSA-N -1 3 355.452 3.367 20 0 FGADHM Cc1nc(-c2ccc(CNc3ccc(-c4nn[n-]n4)nc3)s2)cs1 ZINC000822419791 606032050 /nfs/dbraw/zinc/03/20/50/606032050.db2.gz WAHZYPGGNWZOIM-UHFFFAOYSA-N -1 3 355.452 3.367 20 0 FGADHM Clc1cc(-c2nnn[n-]2)cnc1NCCc1nc2ccccc2s1 ZINC000822568626 606037913 /nfs/dbraw/zinc/03/79/13/606037913.db2.gz UITTZRNVJCRTPY-UHFFFAOYSA-N -1 3 357.830 3.179 20 0 FGADHM Clc1cc(-c2nn[n-]n2)cnc1NCCc1nc2ccccc2s1 ZINC000822568626 606037918 /nfs/dbraw/zinc/03/79/18/606037918.db2.gz UITTZRNVJCRTPY-UHFFFAOYSA-N -1 3 357.830 3.179 20 0 FGADHM CCSCC[C@@H](C)N(C)c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000821457166 606040617 /nfs/dbraw/zinc/04/06/17/606040617.db2.gz VBPLYGOWEJJZCZ-SECBINFHSA-N -1 3 360.409 3.248 20 0 FGADHM CCSCC[C@@H](C)N(C)c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000821457166 606040623 /nfs/dbraw/zinc/04/06/23/606040623.db2.gz VBPLYGOWEJJZCZ-SECBINFHSA-N -1 3 360.409 3.248 20 0 FGADHM CCCCOc1ccc(CNc2ccc(-c3nnn[n-]3)nc2)cc1OC ZINC000821077691 606043337 /nfs/dbraw/zinc/04/33/37/606043337.db2.gz QFWIETMLLLGVKA-UHFFFAOYSA-N -1 3 354.414 3.061 20 0 FGADHM CCCCOc1ccc(CNc2ccc(-c3nn[n-]n3)nc2)cc1OC ZINC000821077691 606043344 /nfs/dbraw/zinc/04/33/44/606043344.db2.gz QFWIETMLLLGVKA-UHFFFAOYSA-N -1 3 354.414 3.061 20 0 FGADHM Cc1cnc([C@H](C)Nc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)s1 ZINC000822389032 606104159 /nfs/dbraw/zinc/10/41/59/606104159.db2.gz JEIBZRRMCQDNNQ-ZETCQYMHSA-N -1 3 355.349 3.219 20 0 FGADHM Cc1cnc([C@H](C)Nc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)s1 ZINC000822389032 606104163 /nfs/dbraw/zinc/10/41/63/606104163.db2.gz JEIBZRRMCQDNNQ-ZETCQYMHSA-N -1 3 355.349 3.219 20 0 FGADHM c1ccc(OC[C@@H](Nc2ncccc2-c2nnn[n-]2)c2ccccc2)cc1 ZINC000823792026 606105105 /nfs/dbraw/zinc/10/51/05/606105105.db2.gz NEPMQPDWKMZOAK-GOSISDBHSA-N -1 3 358.405 3.494 20 0 FGADHM c1ccc(OC[C@@H](Nc2ncccc2-c2nn[n-]n2)c2ccccc2)cc1 ZINC000823792026 606105106 /nfs/dbraw/zinc/10/51/06/606105106.db2.gz NEPMQPDWKMZOAK-GOSISDBHSA-N -1 3 358.405 3.494 20 0 FGADHM CC[C@H](C)Oc1ccc(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000820876222 606126062 /nfs/dbraw/zinc/12/60/62/606126062.db2.gz NRULOHRGRSPOKK-LBPRGKRZSA-N -1 3 369.400 3.460 20 0 FGADHM CC[C@H](C)Oc1ccc(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000820876222 606126063 /nfs/dbraw/zinc/12/60/63/606126063.db2.gz NRULOHRGRSPOKK-LBPRGKRZSA-N -1 3 369.400 3.460 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccc(F)c(F)c1F ZINC000823309109 606130172 /nfs/dbraw/zinc/13/01/72/606130172.db2.gz SNLCPVXCWABLAR-UHFFFAOYSA-N -1 3 353.691 3.190 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc(F)c(F)c1F ZINC000823309109 606130173 /nfs/dbraw/zinc/13/01/73/606130173.db2.gz SNLCPVXCWABLAR-UHFFFAOYSA-N -1 3 353.691 3.190 20 0 FGADHM Nc1cc(Cl)c(Cl)c(C(=O)OCc2ccccc2-c2nnn[n-]2)c1 ZINC000822907685 606131512 /nfs/dbraw/zinc/13/15/12/606131512.db2.gz YURZGTBPWUQLHT-UHFFFAOYSA-N -1 3 364.192 3.113 20 0 FGADHM Nc1cc(Cl)c(Cl)c(C(=O)OCc2ccccc2-c2nn[n-]n2)c1 ZINC000822907685 606131513 /nfs/dbraw/zinc/13/15/13/606131513.db2.gz YURZGTBPWUQLHT-UHFFFAOYSA-N -1 3 364.192 3.113 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)[C@H]1CC12CCCC2 ZINC000823303506 606150651 /nfs/dbraw/zinc/15/06/51/606150651.db2.gz LAJMKAVXSXUZRU-GFCCVEGCSA-N -1 3 351.332 3.404 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)[C@H]1CC12CCCC2 ZINC000823303506 606150653 /nfs/dbraw/zinc/15/06/53/606150653.db2.gz LAJMKAVXSXUZRU-GFCCVEGCSA-N -1 3 351.332 3.404 20 0 FGADHM CCO[C@H](CCNC(=S)Nc1ccccc1-c1nnn[n-]1)C1CCCC1 ZINC000821350701 606167520 /nfs/dbraw/zinc/16/75/20/606167520.db2.gz BNQGJHJALFWISZ-MRXNPFEDSA-N -1 3 374.514 3.139 20 0 FGADHM CCO[C@H](CCNC(=S)Nc1ccccc1-c1nn[n-]n1)C1CCCC1 ZINC000821350701 606167522 /nfs/dbraw/zinc/16/75/22/606167522.db2.gz BNQGJHJALFWISZ-MRXNPFEDSA-N -1 3 374.514 3.139 20 0 FGADHM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)c1nc2cc(Cl)ccc2[nH]1 ZINC000820512456 606178287 /nfs/dbraw/zinc/17/82/87/606178287.db2.gz KSXNEMAPIMSZEC-SSDOTTSWSA-N -1 3 374.813 3.376 20 0 FGADHM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)c1nc2cc(Cl)ccc2[nH]1 ZINC000820512456 606178289 /nfs/dbraw/zinc/17/82/89/606178289.db2.gz KSXNEMAPIMSZEC-SSDOTTSWSA-N -1 3 374.813 3.376 20 0 FGADHM C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820727134 606188140 /nfs/dbraw/zinc/18/81/40/606188140.db2.gz HCNJLMXHNLULFO-PIGZYNQJSA-N -1 3 351.385 3.059 20 0 FGADHM C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820727134 606188141 /nfs/dbraw/zinc/18/81/41/606188141.db2.gz HCNJLMXHNLULFO-PIGZYNQJSA-N -1 3 351.385 3.059 20 0 FGADHM O=C(Nc1ccc2nc(C3CC3)oc2c1)c1sccc1-c1nnn[n-]1 ZINC000823355884 606191146 /nfs/dbraw/zinc/19/11/46/606191146.db2.gz FIJNLWKFAKXLND-UHFFFAOYSA-N -1 3 352.379 3.199 20 0 FGADHM O=C(Nc1ccc2nc(C3CC3)oc2c1)c1sccc1-c1nn[n-]n1 ZINC000823355884 606191147 /nfs/dbraw/zinc/19/11/47/606191147.db2.gz FIJNLWKFAKXLND-UHFFFAOYSA-N -1 3 352.379 3.199 20 0 FGADHM C[C@H]1Sc2ccccc2N(C(=O)c2sccc2-c2nnn[n-]2)[C@@H]1C ZINC000820822380 606191156 /nfs/dbraw/zinc/19/11/56/606191156.db2.gz YZNOEFODLVFDDZ-NXEZZACHSA-N -1 3 357.464 3.458 20 0 FGADHM C[C@H]1Sc2ccccc2N(C(=O)c2sccc2-c2nn[n-]n2)[C@@H]1C ZINC000820822380 606191158 /nfs/dbraw/zinc/19/11/58/606191158.db2.gz YZNOEFODLVFDDZ-NXEZZACHSA-N -1 3 357.464 3.458 20 0 FGADHM O[C@H](C[C@H]1CCCN1c1cccc(F)c1-c1nnn[n-]1)c1cccs1 ZINC000823672189 606200962 /nfs/dbraw/zinc/20/09/62/606200962.db2.gz CEDDIGPDVXLJEJ-BXUZGUMPSA-N -1 3 359.430 3.160 20 0 FGADHM O[C@H](C[C@H]1CCCN1c1cccc(F)c1-c1nn[n-]n1)c1cccs1 ZINC000823672189 606200964 /nfs/dbraw/zinc/20/09/64/606200964.db2.gz CEDDIGPDVXLJEJ-BXUZGUMPSA-N -1 3 359.430 3.160 20 0 FGADHM Cc1ccccc1Cc1noc(CSc2ccccc2-c2nnn[n-]2)n1 ZINC000822361728 606204482 /nfs/dbraw/zinc/20/44/82/606204482.db2.gz HRMYAZROBBAORQ-UHFFFAOYSA-N -1 3 364.434 3.441 20 0 FGADHM Cc1ccccc1Cc1noc(CSc2ccccc2-c2nn[n-]n2)n1 ZINC000822361728 606204484 /nfs/dbraw/zinc/20/44/84/606204484.db2.gz HRMYAZROBBAORQ-UHFFFAOYSA-N -1 3 364.434 3.441 20 0 FGADHM C[C@H](NC(=O)c1cc(-c2nnn[n-]2)cn1C)c1cc(Cl)ccc1Cl ZINC000820384608 606221078 /nfs/dbraw/zinc/22/10/78/606221078.db2.gz IXWKFXHMGXTILJ-QMMMGPOBSA-N -1 3 365.224 3.003 20 0 FGADHM C[C@H](NC(=O)c1cc(-c2nn[n-]n2)cn1C)c1cc(Cl)ccc1Cl ZINC000820384608 606221080 /nfs/dbraw/zinc/22/10/80/606221080.db2.gz IXWKFXHMGXTILJ-QMMMGPOBSA-N -1 3 365.224 3.003 20 0 FGADHM CC(C)COc1ccc(NC(=O)c2cc(-c3nnn[n-]3)cn2C)cc1Cl ZINC000820102764 606224734 /nfs/dbraw/zinc/22/47/34/606224734.db2.gz JRAUMRPQRZTFCK-UHFFFAOYSA-N -1 3 374.832 3.146 20 0 FGADHM CC(C)COc1ccc(NC(=O)c2cc(-c3nn[n-]n3)cn2C)cc1Cl ZINC000820102764 606224736 /nfs/dbraw/zinc/22/47/36/606224736.db2.gz JRAUMRPQRZTFCK-UHFFFAOYSA-N -1 3 374.832 3.146 20 0 FGADHM C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000820563075 606253769 /nfs/dbraw/zinc/25/37/69/606253769.db2.gz NHMOJNPJAGXEKT-QMMMGPOBSA-N -1 3 365.224 3.335 20 0 FGADHM C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000820563075 606253771 /nfs/dbraw/zinc/25/37/71/606253771.db2.gz NHMOJNPJAGXEKT-QMMMGPOBSA-N -1 3 365.224 3.335 20 0 FGADHM O=C(N[C@@H](c1ccccc1)C1CCCCC1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823139708 606257160 /nfs/dbraw/zinc/25/71/60/606257160.db2.gz KESWXWRLBFXBKB-KRWDZBQOSA-N -1 3 350.426 3.246 20 0 FGADHM O=C(N[C@@H](c1ccccc1)C1CCCCC1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823139708 606257161 /nfs/dbraw/zinc/25/71/61/606257161.db2.gz KESWXWRLBFXBKB-KRWDZBQOSA-N -1 3 350.426 3.246 20 0 FGADHM CN(Cc1ccccc1)c1ccc(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)cc1 ZINC000821614514 606258728 /nfs/dbraw/zinc/25/87/28/606258728.db2.gz JEOBRMYSFSENHC-UHFFFAOYSA-N -1 3 373.420 3.084 20 0 FGADHM CN(Cc1ccccc1)c1ccc(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)cc1 ZINC000821614514 606258729 /nfs/dbraw/zinc/25/87/29/606258729.db2.gz JEOBRMYSFSENHC-UHFFFAOYSA-N -1 3 373.420 3.084 20 0 FGADHM CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)c2cc(-c3nnn[n-]3)c[nH]2)cc1 ZINC000819958500 606258966 /nfs/dbraw/zinc/25/89/66/606258966.db2.gz MMOMLOYFTPMFKH-KRWDZBQOSA-N -1 3 364.453 3.470 20 0 FGADHM CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)c2cc(-c3nn[n-]n3)c[nH]2)cc1 ZINC000819958500 606258968 /nfs/dbraw/zinc/25/89/68/606258968.db2.gz MMOMLOYFTPMFKH-KRWDZBQOSA-N -1 3 364.453 3.470 20 0 FGADHM Cc1cccc([C@H]2CCCCN2C(=O)c2cc(-c3nnn[n-]3)cn2C)c1C ZINC000822299866 606259120 /nfs/dbraw/zinc/25/91/20/606259120.db2.gz XIEWQHPVWMOXDL-QGZVFWFLSA-N -1 3 364.453 3.189 20 0 FGADHM Cc1cccc([C@H]2CCCCN2C(=O)c2cc(-c3nn[n-]n3)cn2C)c1C ZINC000822299866 606259122 /nfs/dbraw/zinc/25/91/22/606259122.db2.gz XIEWQHPVWMOXDL-QGZVFWFLSA-N -1 3 364.453 3.189 20 0 FGADHM Cc1ccccc1[C@H](NC(=O)c1cc(-c2nnn[n-]2)cn1C)C(C)(C)C ZINC000822352002 606261931 /nfs/dbraw/zinc/26/19/31/606261931.db2.gz SYGQQNXLFPWXTG-INIZCTEOSA-N -1 3 352.442 3.031 20 0 FGADHM Cc1ccccc1[C@H](NC(=O)c1cc(-c2nn[n-]n2)cn1C)C(C)(C)C ZINC000822352002 606261933 /nfs/dbraw/zinc/26/19/33/606261933.db2.gz SYGQQNXLFPWXTG-INIZCTEOSA-N -1 3 352.442 3.031 20 0 FGADHM C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820535741 606271552 /nfs/dbraw/zinc/27/15/52/606271552.db2.gz QNAJUHXQFDWULT-SECBINFHSA-N -1 3 361.764 3.065 20 0 FGADHM C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820535741 606271554 /nfs/dbraw/zinc/27/15/54/606271554.db2.gz QNAJUHXQFDWULT-SECBINFHSA-N -1 3 361.764 3.065 20 0 FGADHM C[C@H](CSc1ccccc1)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820294148 606271709 /nfs/dbraw/zinc/27/17/09/606271709.db2.gz RKQZKNDUXUOVFF-LLVKDONJSA-N -1 3 357.414 3.373 20 0 FGADHM C[C@H](CSc1ccccc1)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820294148 606271711 /nfs/dbraw/zinc/27/17/11/606271711.db2.gz RKQZKNDUXUOVFF-LLVKDONJSA-N -1 3 357.414 3.373 20 0 FGADHM O=C(NCC1(Sc2ccccc2)CCCC1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823171095 606272810 /nfs/dbraw/zinc/27/28/10/606272810.db2.gz OGAVCMHGOLWRPE-UHFFFAOYSA-N -1 3 368.466 3.030 20 0 FGADHM O=C(NCC1(Sc2ccccc2)CCCC1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823171095 606272812 /nfs/dbraw/zinc/27/28/12/606272812.db2.gz OGAVCMHGOLWRPE-UHFFFAOYSA-N -1 3 368.466 3.030 20 0 FGADHM Cc1c(COc2ccccc2)cccc1NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000822034601 606291881 /nfs/dbraw/zinc/29/18/81/606291881.db2.gz IKIAYGIHBRLUMY-UHFFFAOYSA-N -1 3 374.404 3.335 20 0 FGADHM Cc1c(COc2ccccc2)cccc1NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000822034601 606291883 /nfs/dbraw/zinc/29/18/83/606291883.db2.gz IKIAYGIHBRLUMY-UHFFFAOYSA-N -1 3 374.404 3.335 20 0 FGADHM CCSc1cccc(N[C@@H](C(=O)OC)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000821461235 606306378 /nfs/dbraw/zinc/30/63/78/606306378.db2.gz MWJGDAXQQIJBKI-MRXNPFEDSA-N -1 3 369.450 3.305 20 0 FGADHM CCSc1cccc(N[C@@H](C(=O)OC)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000821461235 606306380 /nfs/dbraw/zinc/30/63/80/606306380.db2.gz MWJGDAXQQIJBKI-MRXNPFEDSA-N -1 3 369.450 3.305 20 0 FGADHM COC(=O)[C@H](N[C@H](C)c1cccc(C)c1C)c1cccc(-c2nnn[n-]2)c1 ZINC000821640879 606306424 /nfs/dbraw/zinc/30/64/24/606306424.db2.gz QUGTZACVYZJYMA-RDTXWAMCSA-N -1 3 365.437 3.048 20 0 FGADHM COC(=O)[C@H](N[C@H](C)c1cccc(C)c1C)c1cccc(-c2nn[n-]n2)c1 ZINC000821640879 606306426 /nfs/dbraw/zinc/30/64/26/606306426.db2.gz QUGTZACVYZJYMA-RDTXWAMCSA-N -1 3 365.437 3.048 20 0 FGADHM O=C(Nc1cccc(Cl)c1SC(F)F)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823363405 606319198 /nfs/dbraw/zinc/31/91/98/606319198.db2.gz BZHGIQAGKIVLFU-UHFFFAOYSA-N -1 3 370.772 3.415 20 0 FGADHM O=C(Nc1cccc(Cl)c1SC(F)F)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823363405 606319199 /nfs/dbraw/zinc/31/91/99/606319199.db2.gz BZHGIQAGKIVLFU-UHFFFAOYSA-N -1 3 370.772 3.415 20 0 FGADHM O=C(Nc1ccccc1SC(F)(F)F)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823372444 606319492 /nfs/dbraw/zinc/31/94/92/606319492.db2.gz DIJQPGQNELMNLC-UHFFFAOYSA-N -1 3 354.317 3.059 20 0 FGADHM O=C(Nc1ccccc1SC(F)(F)F)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823372444 606319494 /nfs/dbraw/zinc/31/94/94/606319494.db2.gz DIJQPGQNELMNLC-UHFFFAOYSA-N -1 3 354.317 3.059 20 0 FGADHM Cc1ccc([C@H]2[C@H](C)CCCN2C(=O)c2cc(-c3nnn[n-]3)c[nH]2)cc1 ZINC000822232095 606323592 /nfs/dbraw/zinc/32/35/92/606323592.db2.gz SWBUHDGJBYBXGL-CXAGYDPISA-N -1 3 350.426 3.117 20 0 FGADHM Cc1ccc([C@H]2[C@H](C)CCCN2C(=O)c2cc(-c3nn[n-]n3)c[nH]2)cc1 ZINC000822232095 606323594 /nfs/dbraw/zinc/32/35/94/606323594.db2.gz SWBUHDGJBYBXGL-CXAGYDPISA-N -1 3 350.426 3.117 20 0 FGADHM C[C@H](CNC(=O)[C@H](C)Sc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000820556094 606324900 /nfs/dbraw/zinc/32/49/00/606324900.db2.gz RKFJTHACLWPGTM-KGLIPLIRSA-N -1 3 367.478 3.267 20 0 FGADHM C[C@H](CNC(=O)[C@H](C)Sc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000820556094 606324902 /nfs/dbraw/zinc/32/49/02/606324902.db2.gz RKFJTHACLWPGTM-KGLIPLIRSA-N -1 3 367.478 3.267 20 0 FGADHM C[C@H](Sc1cccc(-c2nnn[n-]2)c1)c1nc2ccccc2c(=O)[nH]1 ZINC000820556142 606325692 /nfs/dbraw/zinc/32/56/92/606325692.db2.gz RRNPHFFWECUVSS-JTQLQIEISA-N -1 3 350.407 3.369 20 0 FGADHM C[C@H](Sc1cccc(-c2nn[n-]n2)c1)c1nc2ccccc2c(=O)[nH]1 ZINC000820556142 606325694 /nfs/dbraw/zinc/32/56/94/606325694.db2.gz RRNPHFFWECUVSS-JTQLQIEISA-N -1 3 350.407 3.369 20 0 FGADHM C[C@@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)N(C)Cc1ccccc1 ZINC000820554983 606326903 /nfs/dbraw/zinc/32/69/03/606326903.db2.gz CWNBPIUYBMMTKF-CYBMUJFWSA-N -1 3 353.451 3.006 20 0 FGADHM C[C@@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)N(C)Cc1ccccc1 ZINC000820554983 606326905 /nfs/dbraw/zinc/32/69/05/606326905.db2.gz CWNBPIUYBMMTKF-CYBMUJFWSA-N -1 3 353.451 3.006 20 0 FGADHM C[C@@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccc(Cl)cn1 ZINC000820554999 606326976 /nfs/dbraw/zinc/32/69/76/606326976.db2.gz DHPNXKRGXJMROS-SECBINFHSA-N -1 3 360.830 3.034 20 0 FGADHM C[C@@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccc(Cl)cn1 ZINC000820554999 606326978 /nfs/dbraw/zinc/32/69/78/606326978.db2.gz DHPNXKRGXJMROS-SECBINFHSA-N -1 3 360.830 3.034 20 0 FGADHM Cc1nc(C)c(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCCC3)o1 ZINC000822428052 606336508 /nfs/dbraw/zinc/33/65/08/606336508.db2.gz YMQTXPHZARKZQG-UHFFFAOYSA-N -1 3 372.454 3.444 20 0 FGADHM Cc1nc(C)c(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCCC3)o1 ZINC000822428052 606336510 /nfs/dbraw/zinc/33/65/10/606336510.db2.gz YMQTXPHZARKZQG-UHFFFAOYSA-N -1 3 372.454 3.444 20 0 FGADHM C[C@@H](Oc1ccc(F)cc1)C(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820536986 606344498 /nfs/dbraw/zinc/34/44/98/606344498.db2.gz ZOFNSBOPCHZUHA-NWDGAFQWSA-N -1 3 356.357 3.078 20 0 FGADHM C[C@@H](Oc1ccc(F)cc1)C(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820536986 606344500 /nfs/dbraw/zinc/34/45/00/606344500.db2.gz ZOFNSBOPCHZUHA-NWDGAFQWSA-N -1 3 356.357 3.078 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N1[C@H](C)C[C@H]2CCCC[C@@H]21 ZINC000821407943 606344689 /nfs/dbraw/zinc/34/46/89/606344689.db2.gz YJHDKXROVNVQKU-IOASZLSFSA-N -1 3 370.457 3.450 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N1[C@H](C)C[C@H]2CCCC[C@@H]21 ZINC000821407943 606344690 /nfs/dbraw/zinc/34/46/90/606344690.db2.gz YJHDKXROVNVQKU-IOASZLSFSA-N -1 3 370.457 3.450 20 0 FGADHM C[C@@H](OC(=O)[C@@H]1CSc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000820487815 606345951 /nfs/dbraw/zinc/34/59/51/606345951.db2.gz JKVZGNCOGRLCHK-IAQYHMDHSA-N -1 3 352.419 3.360 20 0 FGADHM C[C@@H](OC(=O)[C@@H]1CSc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000820487815 606345953 /nfs/dbraw/zinc/34/59/53/606345953.db2.gz JKVZGNCOGRLCHK-IAQYHMDHSA-N -1 3 352.419 3.360 20 0 FGADHM C[C@H](OC(=O)c1cnc(-c2ccccc2)nc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820518631 606348435 /nfs/dbraw/zinc/34/84/35/606348435.db2.gz HZAKTUXOPWBRQK-ZDUSSCGKSA-N -1 3 372.388 3.242 20 0 FGADHM C[C@H](OC(=O)c1cnc(-c2ccccc2)nc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820518631 606348436 /nfs/dbraw/zinc/34/84/36/606348436.db2.gz HZAKTUXOPWBRQK-ZDUSSCGKSA-N -1 3 372.388 3.242 20 0 FGADHM CC(=O)Nc1cc(C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)ccc1C ZINC000819810203 606357203 /nfs/dbraw/zinc/35/72/03/606357203.db2.gz BJDPGAQZBLIVSU-GFCCVEGCSA-N -1 3 365.393 3.052 20 0 FGADHM CC(=O)Nc1cc(C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)ccc1C ZINC000819810203 606357205 /nfs/dbraw/zinc/35/72/05/606357205.db2.gz BJDPGAQZBLIVSU-GFCCVEGCSA-N -1 3 365.393 3.052 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)N[C@H]1CCCOc2ccccc21 ZINC000823343942 606357960 /nfs/dbraw/zinc/35/79/60/606357960.db2.gz LTLHCQKMFMFBKT-AWEZNQCLSA-N -1 3 368.372 3.041 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)N[C@H]1CCCOc2ccccc21 ZINC000823343942 606357962 /nfs/dbraw/zinc/35/79/62/606357962.db2.gz LTLHCQKMFMFBKT-AWEZNQCLSA-N -1 3 368.372 3.041 20 0 FGADHM CC[C@H](Oc1ccccc1Cl)C(=O)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000820938225 606395344 /nfs/dbraw/zinc/39/53/44/606395344.db2.gz HMMYTVOYUQYZFF-HNNXBMFYSA-N -1 3 372.812 3.421 20 0 FGADHM CC[C@H](Oc1ccccc1Cl)C(=O)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000820938225 606395346 /nfs/dbraw/zinc/39/53/46/606395346.db2.gz HMMYTVOYUQYZFF-HNNXBMFYSA-N -1 3 372.812 3.421 20 0 FGADHM COc1ccc2cc(C(=O)O[C@@H](C)c3ccc(-c4nnn[n-]4)cc3)[nH]c2c1 ZINC000821854626 606396772 /nfs/dbraw/zinc/39/67/72/606396772.db2.gz PNVYOCNXWUBOTH-NSHDSACASA-N -1 3 363.377 3.275 20 0 FGADHM COc1ccc2cc(C(=O)O[C@@H](C)c3ccc(-c4nn[n-]n4)cc3)[nH]c2c1 ZINC000821854626 606396773 /nfs/dbraw/zinc/39/67/73/606396773.db2.gz PNVYOCNXWUBOTH-NSHDSACASA-N -1 3 363.377 3.275 20 0 FGADHM CCn1c2ccccc2nc1[C@H](C)NCc1ccc(-c2nnn[n-]2)s1 ZINC000821564152 606421977 /nfs/dbraw/zinc/42/19/77/606421977.db2.gz VJTVKFLNNRFKDE-NSHDSACASA-N -1 3 353.455 3.149 20 0 FGADHM COc1ccc(Br)cc1Sc1ncccc1-c1nnn[n-]1 ZINC000821769154 606432474 /nfs/dbraw/zinc/43/24/74/606432474.db2.gz DUNXOJHOIBPUDI-UHFFFAOYSA-N -1 3 364.228 3.184 20 0 FGADHM COc1ccc(Br)cc1Sc1ncccc1-c1nn[n-]n1 ZINC000821769154 606432476 /nfs/dbraw/zinc/43/24/76/606432476.db2.gz DUNXOJHOIBPUDI-UHFFFAOYSA-N -1 3 364.228 3.184 20 0 FGADHM COc1ccc([C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2F)c(OC)c1 ZINC000821786998 606443591 /nfs/dbraw/zinc/44/35/91/606443591.db2.gz NCGVVRWEHDXZLG-INIZCTEOSA-N -1 3 369.400 3.365 20 0 FGADHM Cc1cc(C(=O)NCC(C)C)ccc1NCc1cccc(-c2nnn[n-]2)c1 ZINC000822167365 606454339 /nfs/dbraw/zinc/45/43/39/606454339.db2.gz DACRBJSGCCDKHC-UHFFFAOYSA-N -1 3 364.453 3.173 20 0 FGADHM Cc1cc(C(=O)NCC(C)C)ccc1NCc1cccc(-c2nn[n-]n2)c1 ZINC000822167365 606454341 /nfs/dbraw/zinc/45/43/41/606454341.db2.gz DACRBJSGCCDKHC-UHFFFAOYSA-N -1 3 364.453 3.173 20 0 FGADHM C[C@H](OC(=O)c1cc(-c2nnn[n-]2)cs1)c1nc2ccccc2s1 ZINC000820508845 606462713 /nfs/dbraw/zinc/46/27/13/606462713.db2.gz ZAUZOXFCWJWPJX-QMMMGPOBSA-N -1 3 357.420 3.456 20 0 FGADHM C[C@H](OC(=O)c1cc(-c2nn[n-]n2)cs1)c1nc2ccccc2s1 ZINC000820508845 606462714 /nfs/dbraw/zinc/46/27/14/606462714.db2.gz ZAUZOXFCWJWPJX-QMMMGPOBSA-N -1 3 357.420 3.456 20 0 FGADHM C[C@@H](OC(=O)c1cc(-c2nnn[n-]2)cs1)c1nc2ccccc2s1 ZINC000820508844 606462818 /nfs/dbraw/zinc/46/28/18/606462818.db2.gz ZAUZOXFCWJWPJX-MRVPVSSYSA-N -1 3 357.420 3.456 20 0 FGADHM C[C@@H](OC(=O)c1cc(-c2nn[n-]n2)cs1)c1nc2ccccc2s1 ZINC000820508844 606462821 /nfs/dbraw/zinc/46/28/21/606462821.db2.gz ZAUZOXFCWJWPJX-MRVPVSSYSA-N -1 3 357.420 3.456 20 0 FGADHM Brc1ccc(-c2noc(-c3cc(-c4nnn[n-]4)cs3)n2)o1 ZINC000819689220 606469675 /nfs/dbraw/zinc/46/96/75/606469675.db2.gz XVNWPNKGVNEOSM-UHFFFAOYSA-N -1 3 365.172 3.001 20 0 FGADHM Brc1ccc(-c2noc(-c3cc(-c4nn[n-]n4)cs3)n2)o1 ZINC000819689220 606469676 /nfs/dbraw/zinc/46/96/76/606469676.db2.gz XVNWPNKGVNEOSM-UHFFFAOYSA-N -1 3 365.172 3.001 20 0 FGADHM CN(c1ccccc1)C1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000821619017 606471250 /nfs/dbraw/zinc/47/12/50/606471250.db2.gz GALZHUOZERAOOY-UHFFFAOYSA-N -1 3 352.417 3.111 20 0 FGADHM CN(c1ccc(-c2nn[n-]n2)cc1)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000821619165 606474474 /nfs/dbraw/zinc/47/44/74/606474474.db2.gz LQCMNJUVQPNYOG-UHFFFAOYSA-N -1 3 372.473 3.139 20 0 FGADHM CN(Cc1ccc(F)cc1)Cc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000821611032 606480264 /nfs/dbraw/zinc/48/02/64/606480264.db2.gz OHFUUHJTZFFLDR-UHFFFAOYSA-N -1 3 363.343 3.239 20 0 FGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N[C@@H](C1CCCC1)C(F)(F)F ZINC000823360284 606480390 /nfs/dbraw/zinc/48/03/90/606480390.db2.gz YQKKPAFIKPQVHM-LBPRGKRZSA-N -1 3 354.336 3.109 20 0 FGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N[C@@H](C1CCCC1)C(F)(F)F ZINC000823360284 606480392 /nfs/dbraw/zinc/48/03/92/606480392.db2.gz YQKKPAFIKPQVHM-LBPRGKRZSA-N -1 3 354.336 3.109 20 0 FGADHM O=C(Nc1nc(-c2cccc(F)c2)cs1)c1cc(-c2nnn[n-]2)cs1 ZINC000823376217 606486250 /nfs/dbraw/zinc/48/62/50/606486250.db2.gz ZZMUDIOOMMXCGH-UHFFFAOYSA-N -1 3 372.410 3.443 20 0 FGADHM O=C(Nc1nc(-c2cccc(F)c2)cs1)c1cc(-c2nn[n-]n2)cs1 ZINC000823376217 606486251 /nfs/dbraw/zinc/48/62/51/606486251.db2.gz ZZMUDIOOMMXCGH-UHFFFAOYSA-N -1 3 372.410 3.443 20 0 FGADHM CCN(CCC(F)(F)F)Cc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000821207314 606486887 /nfs/dbraw/zinc/48/68/87/606486887.db2.gz KUSSMCFIYDFTED-UHFFFAOYSA-N -1 3 365.306 3.242 20 0 FGADHM O=C(Nc1ccc(Cl)c2ncccc12)c1cc(-c2nnn[n-]2)cs1 ZINC000823332814 606488439 /nfs/dbraw/zinc/48/84/39/606488439.db2.gz RRRKYNAXMVVMGF-UHFFFAOYSA-N -1 3 356.798 3.382 20 0 FGADHM O=C(Nc1ccc(Cl)c2ncccc12)c1cc(-c2nn[n-]n2)cs1 ZINC000823332814 606488440 /nfs/dbraw/zinc/48/84/40/606488440.db2.gz RRRKYNAXMVVMGF-UHFFFAOYSA-N -1 3 356.798 3.382 20 0 FGADHM O=C(c1cc(-c2nnn[n-]2)cs1)N1CCCC[C@H]1Cc1ccccc1 ZINC000823472442 606501261 /nfs/dbraw/zinc/50/12/61/606501261.db2.gz MPCIBWGZSCPPMC-HNNXBMFYSA-N -1 3 353.451 3.166 20 0 FGADHM O=C(c1cc(-c2nn[n-]n2)cs1)N1CCCC[C@H]1Cc1ccccc1 ZINC000823472442 606501263 /nfs/dbraw/zinc/50/12/63/606501263.db2.gz MPCIBWGZSCPPMC-HNNXBMFYSA-N -1 3 353.451 3.166 20 0 FGADHM COc1ccc(N(C(=O)c2cc(-c3nnn[n-]3)cs2)C(C)C)cc1F ZINC000821827918 606502697 /nfs/dbraw/zinc/50/26/97/606502697.db2.gz MXKZWZCRUVAWDA-UHFFFAOYSA-N -1 3 361.402 3.131 20 0 FGADHM COc1ccc(N(C(=O)c2cc(-c3nn[n-]n3)cs2)C(C)C)cc1F ZINC000821827918 606502699 /nfs/dbraw/zinc/50/26/99/606502699.db2.gz MXKZWZCRUVAWDA-UHFFFAOYSA-N -1 3 361.402 3.131 20 0 FGADHM CC(C)Oc1ccc([C@@H](C)NC(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000820155772 606504516 /nfs/dbraw/zinc/50/45/16/606504516.db2.gz WTFKUSZRGQONHJ-CQSZACIVSA-N -1 3 365.437 3.074 20 0 FGADHM CC(C)Oc1ccc([C@@H](C)NC(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000820155772 606504517 /nfs/dbraw/zinc/50/45/17/606504517.db2.gz WTFKUSZRGQONHJ-CQSZACIVSA-N -1 3 365.437 3.074 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N(C1CC1)[C@H]1CCCc2ccccc21 ZINC000823088661 606505625 /nfs/dbraw/zinc/50/56/25/606505625.db2.gz ZSYBGPFQYSIJNH-FQEVSTJZSA-N -1 3 373.460 3.478 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N(C1CC1)[C@H]1CCCc2ccccc21 ZINC000823088661 606505626 /nfs/dbraw/zinc/50/56/26/606505626.db2.gz ZSYBGPFQYSIJNH-FQEVSTJZSA-N -1 3 373.460 3.478 20 0 FGADHM O=C(Nc1ccc(Oc2ccccc2)cn1)c1cc(-c2nnn[n-]2)cs1 ZINC000823356472 606512034 /nfs/dbraw/zinc/51/20/34/606512034.db2.gz MNGSQUUNXGUEPC-UHFFFAOYSA-N -1 3 364.390 3.368 20 0 FGADHM O=C(Nc1ccc(Oc2ccccc2)cn1)c1cc(-c2nn[n-]n2)cs1 ZINC000823356472 606512035 /nfs/dbraw/zinc/51/20/35/606512035.db2.gz MNGSQUUNXGUEPC-UHFFFAOYSA-N -1 3 364.390 3.368 20 0 FGADHM O=C(c1cc(-c2nnn[n-]2)cs1)N(Cc1ccc(F)cc1)CC1CC1 ZINC000823465810 606513334 /nfs/dbraw/zinc/51/33/34/606513334.db2.gz AIXUCKAJSAJIKU-UHFFFAOYSA-N -1 3 357.414 3.120 20 0 FGADHM O=C(c1cc(-c2nn[n-]n2)cs1)N(Cc1ccc(F)cc1)CC1CC1 ZINC000823465810 606513336 /nfs/dbraw/zinc/51/33/36/606513336.db2.gz AIXUCKAJSAJIKU-UHFFFAOYSA-N -1 3 357.414 3.120 20 0 FGADHM Cc1ccc(C[C@@H]2CCCN2C(=O)c2cc(-c3nnn[n-]3)cs2)cc1 ZINC000822235134 606513368 /nfs/dbraw/zinc/51/33/68/606513368.db2.gz VAJLONNSKKNTFP-HNNXBMFYSA-N -1 3 353.451 3.084 20 0 FGADHM Cc1ccc(C[C@@H]2CCCN2C(=O)c2cc(-c3nn[n-]n3)cs2)cc1 ZINC000822235134 606513369 /nfs/dbraw/zinc/51/33/69/606513369.db2.gz VAJLONNSKKNTFP-HNNXBMFYSA-N -1 3 353.451 3.084 20 0 FGADHM Cc1ccc(CN(C(=O)Cc2cccc(-c3nnn[n-]3)c2)C(C)C)s1 ZINC000822235998 606535245 /nfs/dbraw/zinc/53/52/45/606535245.db2.gz FZWDEJIKLLOHMC-UHFFFAOYSA-N -1 3 355.467 3.216 20 0 FGADHM Cc1ccc(CN(C(=O)Cc2cccc(-c3nn[n-]n3)c2)C(C)C)s1 ZINC000822235998 606535247 /nfs/dbraw/zinc/53/52/47/606535247.db2.gz FZWDEJIKLLOHMC-UHFFFAOYSA-N -1 3 355.467 3.216 20 0 FGADHM Cn1cccc1[C@@H]1CCCCCN1C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000822690108 606535376 /nfs/dbraw/zinc/53/53/76/606535376.db2.gz SLRHYNBZQPJMOD-AWEZNQCLSA-N -1 3 356.455 3.024 20 0 FGADHM Cn1cccc1[C@@H]1CCCCCN1C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000822690108 606535377 /nfs/dbraw/zinc/53/53/77/606535377.db2.gz SLRHYNBZQPJMOD-AWEZNQCLSA-N -1 3 356.455 3.024 20 0 FGADHM C[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)cs2)[C@H]1c1cccc(F)c1 ZINC000820716050 606546116 /nfs/dbraw/zinc/54/61/16/606546116.db2.gz GTCAUPKYZMENSP-MEBBXXQBSA-N -1 3 357.414 3.291 20 0 FGADHM C[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)cs2)[C@H]1c1cccc(F)c1 ZINC000820716050 606546118 /nfs/dbraw/zinc/54/61/18/606546118.db2.gz GTCAUPKYZMENSP-MEBBXXQBSA-N -1 3 357.414 3.291 20 0 FGADHM O=C(Nc1c(F)cccc1Br)c1sccc1-c1nnn[n-]1 ZINC000823290301 606551979 /nfs/dbraw/zinc/55/19/79/606551979.db2.gz VWECPNMNGIZZGZ-UHFFFAOYSA-N -1 3 368.191 3.082 20 0 FGADHM O=C(Nc1c(F)cccc1Br)c1sccc1-c1nn[n-]n1 ZINC000823290301 606551981 /nfs/dbraw/zinc/55/19/81/606551981.db2.gz VWECPNMNGIZZGZ-UHFFFAOYSA-N -1 3 368.191 3.082 20 0 FGADHM CC[C@H](C)c1ccc(C(=O)COC(=O)c2cc(-c3nnn[n-]3)cs2)cc1 ZINC000820882081 606564055 /nfs/dbraw/zinc/56/40/55/606564055.db2.gz JDDTUNVSNAPSDU-NSHDSACASA-N -1 3 370.434 3.481 20 0 FGADHM CC[C@H](C)c1ccc(C(=O)COC(=O)c2cc(-c3nn[n-]n3)cs2)cc1 ZINC000820882081 606564056 /nfs/dbraw/zinc/56/40/56/606564056.db2.gz JDDTUNVSNAPSDU-NSHDSACASA-N -1 3 370.434 3.481 20 0 FGADHM Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000822350634 606568463 /nfs/dbraw/zinc/56/84/63/606568463.db2.gz FLQCMSAEXHHUCK-CRAIPNDOSA-N -1 3 361.449 3.122 20 0 FGADHM Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000822350634 606568465 /nfs/dbraw/zinc/56/84/65/606568465.db2.gz FLQCMSAEXHHUCK-CRAIPNDOSA-N -1 3 361.449 3.122 20 0 FGADHM CC[C@@H](Oc1ccccc1C)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820939232 606579204 /nfs/dbraw/zinc/57/92/04/606579204.db2.gz RHWLYMUJHTTWJK-WMLDXEAASA-N -1 3 365.437 3.210 20 0 FGADHM CC[C@@H](Oc1ccccc1C)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820939232 606579205 /nfs/dbraw/zinc/57/92/05/606579205.db2.gz RHWLYMUJHTTWJK-WMLDXEAASA-N -1 3 365.437 3.210 20 0 FGADHM COc1cccc([C@@H](C)CC(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821859848 606602598 /nfs/dbraw/zinc/60/25/98/606602598.db2.gz UHDKVIMNCJSIGX-UONOGXRCSA-N -1 3 365.437 3.246 20 0 FGADHM COc1cccc([C@@H](C)CC(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821859848 606602600 /nfs/dbraw/zinc/60/26/00/606602600.db2.gz UHDKVIMNCJSIGX-UONOGXRCSA-N -1 3 365.437 3.246 20 0 FGADHM O=C(N[C@@H](C1CCCCC1)C(F)(F)F)c1sccc1-c1nnn[n-]1 ZINC000823139329 606605416 /nfs/dbraw/zinc/60/54/16/606605416.db2.gz DJAZNEQRESRXJD-NSHDSACASA-N -1 3 359.377 3.169 20 0 FGADHM O=C(N[C@@H](C1CCCCC1)C(F)(F)F)c1sccc1-c1nn[n-]n1 ZINC000823139329 606605418 /nfs/dbraw/zinc/60/54/18/606605418.db2.gz DJAZNEQRESRXJD-NSHDSACASA-N -1 3 359.377 3.169 20 0 FGADHM CO[C@H]1C[C@H](n2c(C)csc2=Nc2ccccc2-c2nnn[n-]2)C1(C)C ZINC000821677908 606611366 /nfs/dbraw/zinc/61/13/66/606611366.db2.gz GOAUAUNQYWJOHV-GJZGRUSLSA-N -1 3 370.482 3.257 20 0 FGADHM CO[C@H]1C[C@H](n2c(C)csc2=Nc2ccccc2-c2nn[n-]n2)C1(C)C ZINC000821677908 606611368 /nfs/dbraw/zinc/61/13/68/606611368.db2.gz GOAUAUNQYWJOHV-GJZGRUSLSA-N -1 3 370.482 3.257 20 0 FGADHM CCN(CC(=O)Nc1sc(C)c(C)c1-c1nnn[n-]1)c1ccccc1 ZINC000821170614 606619559 /nfs/dbraw/zinc/61/95/59/606619559.db2.gz UPILXHUXABQRND-UHFFFAOYSA-N -1 3 356.455 3.010 20 0 FGADHM CCN(CC(=O)Nc1sc(C)c(C)c1-c1nn[n-]n1)c1ccccc1 ZINC000821170614 606619561 /nfs/dbraw/zinc/61/95/61/606619561.db2.gz UPILXHUXABQRND-UHFFFAOYSA-N -1 3 356.455 3.010 20 0 FGADHM Cc1ccc(/C=C/CC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000822233387 606621431 /nfs/dbraw/zinc/62/14/31/606621431.db2.gz NVDXSSMDBQGVRG-NSCUHMNNSA-N -1 3 351.385 3.034 20 0 FGADHM Cc1ccc(/C=C/CC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000822233387 606621433 /nfs/dbraw/zinc/62/14/33/606621433.db2.gz NVDXSSMDBQGVRG-NSCUHMNNSA-N -1 3 351.385 3.034 20 0 FGADHM COc1ccc([C@@H](C)CC(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821778345 606626595 /nfs/dbraw/zinc/62/65/95/606626595.db2.gz YRFSGEWHHHKQFD-UONOGXRCSA-N -1 3 365.437 3.246 20 0 FGADHM COc1ccc([C@@H](C)CC(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821778345 606626596 /nfs/dbraw/zinc/62/65/96/606626596.db2.gz YRFSGEWHHHKQFD-UONOGXRCSA-N -1 3 365.437 3.246 20 0 FGADHM COc1ccc([C@H](C)CC(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821777675 606626645 /nfs/dbraw/zinc/62/66/45/606626645.db2.gz KVOBFXIQVXRLSY-CQSZACIVSA-N -1 3 365.437 3.028 20 0 FGADHM COc1ccc([C@H](C)CC(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821777675 606626648 /nfs/dbraw/zinc/62/66/48/606626648.db2.gz KVOBFXIQVXRLSY-CQSZACIVSA-N -1 3 365.437 3.028 20 0 FGADHM O=C(CSCc1ccc(F)cc1F)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000823061029 606632922 /nfs/dbraw/zinc/63/29/22/606632922.db2.gz SNAKMPDEDQDHEM-UHFFFAOYSA-N -1 3 361.377 3.017 20 0 FGADHM O=C(CSCc1ccc(F)cc1F)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000823061029 606632923 /nfs/dbraw/zinc/63/29/23/606632923.db2.gz SNAKMPDEDQDHEM-UHFFFAOYSA-N -1 3 361.377 3.017 20 0 FGADHM CCN(CC(=O)Nc1sc(C)c(C)c1-c1nnn[n-]1)Cc1ccccc1 ZINC000821170730 606646870 /nfs/dbraw/zinc/64/68/70/606646870.db2.gz WBKCQHJHGFIYMU-UHFFFAOYSA-N -1 3 370.482 3.006 20 0 FGADHM CCN(CC(=O)Nc1sc(C)c(C)c1-c1nn[n-]n1)Cc1ccccc1 ZINC000821170730 606646871 /nfs/dbraw/zinc/64/68/71/606646871.db2.gz WBKCQHJHGFIYMU-UHFFFAOYSA-N -1 3 370.482 3.006 20 0 FGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@@H]2CCC[C@@H]21 ZINC000820151211 606657021 /nfs/dbraw/zinc/65/70/21/606657021.db2.gz CVXSRPVRBSDQBT-BBRMVZONSA-N -1 3 370.457 3.450 20 0 FGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@@H]2CCC[C@@H]21 ZINC000820151211 606657022 /nfs/dbraw/zinc/65/70/22/606657022.db2.gz CVXSRPVRBSDQBT-BBRMVZONSA-N -1 3 370.457 3.450 20 0 FGADHM CN(Cc1ccc(Cl)cc1)C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821609956 606662166 /nfs/dbraw/zinc/66/21/66/606662166.db2.gz SRXKPXXTNYNMND-UHFFFAOYSA-N -1 3 363.755 3.071 20 0 FGADHM CN(Cc1ccc(Cl)cc1)C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821609956 606662167 /nfs/dbraw/zinc/66/21/67/606662167.db2.gz SRXKPXXTNYNMND-UHFFFAOYSA-N -1 3 363.755 3.071 20 0 FGADHM COc1cc(C)c(C(=O)Nc2sc(C)c(C)c2-c2nnn[n-]2)cc1OC ZINC000821708231 606664561 /nfs/dbraw/zinc/66/45/61/606664561.db2.gz MDTJFHZLSVLIKB-UHFFFAOYSA-N -1 3 373.438 3.123 20 0 FGADHM COc1cc(C)c(C(=O)Nc2sc(C)c(C)c2-c2nn[n-]n2)cc1OC ZINC000821708231 606664562 /nfs/dbraw/zinc/66/45/62/606664562.db2.gz MDTJFHZLSVLIKB-UHFFFAOYSA-N -1 3 373.438 3.123 20 0 FGADHM Cc1sc(NC(=O)[C@H]2C[C@H]2Cc2ccccc2)c(-c2nnn[n-]2)c1C ZINC000822556207 606664676 /nfs/dbraw/zinc/66/46/76/606664676.db2.gz ANKVZYKSCQURHA-KGLIPLIRSA-N -1 3 353.451 3.362 20 0 FGADHM Cc1sc(NC(=O)[C@H]2C[C@H]2Cc2ccccc2)c(-c2nn[n-]n2)c1C ZINC000822556207 606664677 /nfs/dbraw/zinc/66/46/77/606664677.db2.gz ANKVZYKSCQURHA-KGLIPLIRSA-N -1 3 353.451 3.362 20 0 FGADHM O=C(Nc1sccc1-c1nnn[n-]1)c1cc(F)cc(C(F)(F)F)c1 ZINC000823387255 606665168 /nfs/dbraw/zinc/66/51/68/606665168.db2.gz GTWVPPRPSDJDEA-UHFFFAOYSA-N -1 3 357.292 3.338 20 0 FGADHM O=C(Nc1sccc1-c1nn[n-]n1)c1cc(F)cc(C(F)(F)F)c1 ZINC000823387255 606665169 /nfs/dbraw/zinc/66/51/69/606665169.db2.gz GTWVPPRPSDJDEA-UHFFFAOYSA-N -1 3 357.292 3.338 20 0 FGADHM CCC[C@H](Cc1ccccc1)NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821021334 606676775 /nfs/dbraw/zinc/67/67/75/606676775.db2.gz NDMMGGXMIOUBEN-CQSZACIVSA-N -1 3 371.391 3.286 20 0 FGADHM CCC[C@H](Cc1ccccc1)NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821021334 606676776 /nfs/dbraw/zinc/67/67/76/606676776.db2.gz NDMMGGXMIOUBEN-CQSZACIVSA-N -1 3 371.391 3.286 20 0 FGADHM Cc1cc(C)cc([C@H](C)NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c1 ZINC000822196873 606678440 /nfs/dbraw/zinc/67/84/40/606678440.db2.gz ZMAVZSGVAWNYFG-NSHDSACASA-N -1 3 357.364 3.253 20 0 FGADHM Cc1cc(C)cc([C@H](C)NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c1 ZINC000822196873 606678441 /nfs/dbraw/zinc/67/84/41/606678441.db2.gz ZMAVZSGVAWNYFG-NSHDSACASA-N -1 3 357.364 3.253 20 0 FGADHM CC(C)N(C)c1cccc(NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c1 ZINC000820112244 606678824 /nfs/dbraw/zinc/67/88/24/606678824.db2.gz OLWSPTHMJXHLOC-UHFFFAOYSA-N -1 3 372.379 3.242 20 0 FGADHM CC(C)N(C)c1cccc(NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c1 ZINC000820112244 606678825 /nfs/dbraw/zinc/67/88/25/606678825.db2.gz OLWSPTHMJXHLOC-UHFFFAOYSA-N -1 3 372.379 3.242 20 0 FGADHM Cc1ccc([C@H](C)NC(=O)CCc2ccc(-c3nnn[n-]3)cc2)cc1F ZINC000822228814 606692688 /nfs/dbraw/zinc/69/26/88/606692688.db2.gz GBXOEBVQKLVQDG-ZDUSSCGKSA-N -1 3 353.401 3.124 20 0 FGADHM Cc1ccc([C@H](C)NC(=O)CCc2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000822228814 606692689 /nfs/dbraw/zinc/69/26/89/606692689.db2.gz GBXOEBVQKLVQDG-ZDUSSCGKSA-N -1 3 353.401 3.124 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)N1CC[C@@H](c2ccc(F)cc2)C1 ZINC000823343610 606697714 /nfs/dbraw/zinc/69/77/14/606697714.db2.gz AZFLXKZLZKJIBT-GFCCVEGCSA-N -1 3 370.363 3.166 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)N1CC[C@@H](c2ccc(F)cc2)C1 ZINC000823343610 606697715 /nfs/dbraw/zinc/69/77/15/606697715.db2.gz AZFLXKZLZKJIBT-GFCCVEGCSA-N -1 3 370.363 3.166 20 0 FGADHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000822718187 606727786 /nfs/dbraw/zinc/72/77/86/606727786.db2.gz BVYPQDMIYHRFPY-SUHUHFCYSA-N -1 3 353.348 3.255 20 0 FGADHM Cc1c(NC(=O)Cc2cccc(-c3nnn[n-]3)c2)cccc1C(F)(F)F ZINC000822076227 606739436 /nfs/dbraw/zinc/73/94/36/606739436.db2.gz MPDLIXRKEPOYNA-UHFFFAOYSA-N -1 3 361.327 3.375 20 0 FGADHM Cc1c(NC(=O)Cc2cccc(-c3nn[n-]n3)c2)cccc1C(F)(F)F ZINC000822076227 606739438 /nfs/dbraw/zinc/73/94/38/606739438.db2.gz MPDLIXRKEPOYNA-UHFFFAOYSA-N -1 3 361.327 3.375 20 0 FGADHM Cn1cc(CCC(=O)OCc2cccc(-c3nnn[n-]3)c2)c2ccccc21 ZINC000822679975 606749500 /nfs/dbraw/zinc/74/95/00/606749500.db2.gz KRNSSGWKZRFGTA-UHFFFAOYSA-N -1 3 361.405 3.034 20 0 FGADHM Cn1cc(CCC(=O)OCc2cccc(-c3nn[n-]n3)c2)c2ccccc21 ZINC000822679975 606749501 /nfs/dbraw/zinc/74/95/01/606749501.db2.gz KRNSSGWKZRFGTA-UHFFFAOYSA-N -1 3 361.405 3.034 20 0 FGADHM Cc1oc(NC(=O)[C@@H](C)N2CCC(CC(C)C)CC2)c(-c2nnn[n-]2)c1C ZINC000822542030 606754497 /nfs/dbraw/zinc/75/44/97/606754497.db2.gz SRFPXQWNHPXJJF-CYBMUJFWSA-N -1 3 374.489 3.162 20 0 FGADHM Cc1cc(Oc2cc(Cl)ccc2-c2nnn[n-]2)nc(-c2ccncc2)n1 ZINC000822211538 606789915 /nfs/dbraw/zinc/78/99/15/606789915.db2.gz DDHKPFSUFQGJBK-UHFFFAOYSA-N -1 3 365.784 3.473 20 0 FGADHM Cc1cc(Oc2cc(Cl)ccc2-c2nn[n-]n2)nc(-c2ccncc2)n1 ZINC000822211538 606789917 /nfs/dbraw/zinc/78/99/17/606789917.db2.gz DDHKPFSUFQGJBK-UHFFFAOYSA-N -1 3 365.784 3.473 20 0 FGADHM Cc1cc(C)c(-c2nnn[n-]2)c(SCc2nc3cc(F)ccc3o2)n1 ZINC000822193229 606791900 /nfs/dbraw/zinc/79/19/00/606791900.db2.gz PHGZMBBDTAQNED-UHFFFAOYSA-N -1 3 356.386 3.451 20 0 FGADHM Cc1cc(C)c(-c2nn[n-]n2)c(SCc2nc3cc(F)ccc3o2)n1 ZINC000822193229 606791901 /nfs/dbraw/zinc/79/19/01/606791901.db2.gz PHGZMBBDTAQNED-UHFFFAOYSA-N -1 3 356.386 3.451 20 0 FGADHM COC(=O)c1cc(COc2ccc(-c3nnn[n-]3)cc2Cl)c(C)s1 ZINC000821668211 606792855 /nfs/dbraw/zinc/79/28/55/606792855.db2.gz VDHZYYOSJCDUCD-UHFFFAOYSA-N -1 3 364.814 3.256 20 0 FGADHM COC(=O)c1cc(COc2ccc(-c3nn[n-]n3)cc2Cl)c(C)s1 ZINC000821668211 606792856 /nfs/dbraw/zinc/79/28/56/606792856.db2.gz VDHZYYOSJCDUCD-UHFFFAOYSA-N -1 3 364.814 3.256 20 0 FGADHM Cc1ccc(CC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000822235062 606802529 /nfs/dbraw/zinc/80/25/29/606802529.db2.gz QHIYYMJWRFTJBP-LBPRGKRZSA-N -1 3 355.829 3.248 20 0 FGADHM Cc1ccc(CC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000822235062 606802531 /nfs/dbraw/zinc/80/25/31/606802531.db2.gz QHIYYMJWRFTJBP-LBPRGKRZSA-N -1 3 355.829 3.248 20 0 FGADHM CC(=O)c1ccc(OCCCOc2cccc(-c3nnn[n-]3)c2)c(C)c1 ZINC000819834215 606838501 /nfs/dbraw/zinc/83/85/01/606838501.db2.gz OKRFREAUTFCOTA-UHFFFAOYSA-N -1 3 352.394 3.226 20 0 FGADHM CC(=O)c1ccc(OCCCOc2cccc(-c3nn[n-]n3)c2)c(C)c1 ZINC000819834215 606838503 /nfs/dbraw/zinc/83/85/03/606838503.db2.gz OKRFREAUTFCOTA-UHFFFAOYSA-N -1 3 352.394 3.226 20 0 FGADHM CC[C@H]1CC[C@@H](C(=O)Nc2sc(-c3ccccc3)cc2-c2nnn[n-]2)O1 ZINC000820973210 606848046 /nfs/dbraw/zinc/84/80/46/606848046.db2.gz VBIMQDKVPBPTBD-JSGCOSHPSA-N -1 3 369.450 3.491 20 0 FGADHM CC[C@H]1CC[C@@H](C(=O)Nc2sc(-c3ccccc3)cc2-c2nn[n-]n2)O1 ZINC000820973210 606848048 /nfs/dbraw/zinc/84/80/48/606848048.db2.gz VBIMQDKVPBPTBD-JSGCOSHPSA-N -1 3 369.450 3.491 20 0 FGADHM FC(F)Oc1ccccc1NCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000822736547 606862808 /nfs/dbraw/zinc/86/28/08/606862808.db2.gz GHHWCQWZGKFQNW-UHFFFAOYSA-N -1 3 361.352 3.349 20 0 FGADHM FC(F)Oc1ccccc1NCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000822736547 606862809 /nfs/dbraw/zinc/86/28/09/606862809.db2.gz GHHWCQWZGKFQNW-UHFFFAOYSA-N -1 3 361.352 3.349 20 0 FGADHM Cc1cc(F)c(C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)cc1F ZINC000822202395 606862972 /nfs/dbraw/zinc/86/29/72/606862972.db2.gz YJFHOYJQCHNQGV-UHFFFAOYSA-N -1 3 360.368 3.262 20 0 FGADHM Cc1cc(F)c(C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)cc1F ZINC000822202395 606862973 /nfs/dbraw/zinc/86/29/73/606862973.db2.gz YJFHOYJQCHNQGV-UHFFFAOYSA-N -1 3 360.368 3.262 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cccc(Cl)c1F ZINC000821412023 606872423 /nfs/dbraw/zinc/87/24/23/606872423.db2.gz FVEYCMWJCGTLOO-UHFFFAOYSA-N -1 3 361.764 3.310 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cccc(Cl)c1F ZINC000821412023 606872424 /nfs/dbraw/zinc/87/24/24/606872424.db2.gz FVEYCMWJCGTLOO-UHFFFAOYSA-N -1 3 361.764 3.310 20 0 FGADHM CC[C@@H](S[C@@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000820939558 606874317 /nfs/dbraw/zinc/87/43/17/606874317.db2.gz WHLGJFDVPUVUPD-HZPDHXFCSA-N -1 3 353.451 3.278 20 0 FGADHM CC[C@@H](S[C@@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000820939558 606874319 /nfs/dbraw/zinc/87/43/19/606874319.db2.gz WHLGJFDVPUVUPD-HZPDHXFCSA-N -1 3 353.451 3.278 20 0 FGADHM C[C@@H]1CC[C@@H](C)N1C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000820684118 606878793 /nfs/dbraw/zinc/87/87/93/606878793.db2.gz MFONFYKWHDZUMU-CHWSQXEVSA-N -1 3 364.409 3.067 20 0 FGADHM C[C@@H]1CC[C@@H](C)N1C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000820684118 606878794 /nfs/dbraw/zinc/87/87/94/606878794.db2.gz MFONFYKWHDZUMU-CHWSQXEVSA-N -1 3 364.409 3.067 20 0 FGADHM C[C@@H]1CC[C@@H](C)N1C(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000820684353 606879226 /nfs/dbraw/zinc/87/92/26/606879226.db2.gz OJASCYGWIQRORB-CHWSQXEVSA-N -1 3 367.409 3.052 20 0 FGADHM c1ccc2nc(N3CCOC4(C3)CCCCCC4)c(-c3nnn[n-]3)cc2c1 ZINC000823802502 606879680 /nfs/dbraw/zinc/87/96/80/606879680.db2.gz QRPABEVQBYYUEJ-UHFFFAOYSA-N -1 3 364.453 3.345 20 0 FGADHM c1ccc2nc(N3CCOC4(C3)CCCCCC4)c(-c3nn[n-]n3)cc2c1 ZINC000823802502 606879682 /nfs/dbraw/zinc/87/96/82/606879682.db2.gz QRPABEVQBYYUEJ-UHFFFAOYSA-N -1 3 364.453 3.345 20 0 FGADHM CC(C)C[C@@H]1CCCCN1C(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000820061414 606880214 /nfs/dbraw/zinc/88/02/14/606880214.db2.gz ADTHSNMRQNNORT-HOCLYGCPSA-N -1 3 357.458 3.061 20 0 FGADHM CCc1nnc(Nc2ccc(N3CCCC3)cc2)c(-c2nnn[n-]2)c1CC ZINC000821548311 606916078 /nfs/dbraw/zinc/91/60/78/606916078.db2.gz KJTSUTBQSHOJOJ-UHFFFAOYSA-N -1 3 364.457 3.125 20 0 FGADHM CCc1nnc(Nc2ccc(N3CCCC3)cc2)c(-c2nn[n-]n2)c1CC ZINC000821548311 606916079 /nfs/dbraw/zinc/91/60/79/606916079.db2.gz KJTSUTBQSHOJOJ-UHFFFAOYSA-N -1 3 364.457 3.125 20 0 FGADHM O[C@@H](CN1CCCc2cc(Cl)ccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000823682159 606919948 /nfs/dbraw/zinc/91/99/48/606919948.db2.gz NFWPEQIYXHKKSO-KRWDZBQOSA-N -1 3 355.829 3.006 20 0 FGADHM O[C@@H](CN1CCCc2cc(Cl)ccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000823682159 606919950 /nfs/dbraw/zinc/91/99/50/606919950.db2.gz NFWPEQIYXHKKSO-KRWDZBQOSA-N -1 3 355.829 3.006 20 0 FGADHM CCc1nnc(N2CCC[C@H]2c2ccsc2)c(-c2nnn[n-]2)c1CC ZINC000821521705 606920331 /nfs/dbraw/zinc/92/03/31/606920331.db2.gz GTZBEGUNDZGEFD-AWEZNQCLSA-N -1 3 355.471 3.185 20 0 FGADHM CCc1nnc(N2CCC[C@H]2c2ccsc2)c(-c2nn[n-]n2)c1CC ZINC000821521705 606920332 /nfs/dbraw/zinc/92/03/32/606920332.db2.gz GTZBEGUNDZGEFD-AWEZNQCLSA-N -1 3 355.471 3.185 20 0 FGADHM CCc1nnc(NCc2cccc(OC(C)C)c2)c(-c2nnn[n-]2)c1CC ZINC000821542751 606922834 /nfs/dbraw/zinc/92/28/34/606922834.db2.gz YQKZQYVMENUMNO-UHFFFAOYSA-N -1 3 367.457 3.181 20 0 FGADHM CCc1nnc(NCc2cccc(OC(C)C)c2)c(-c2nn[n-]n2)c1CC ZINC000821542751 606922836 /nfs/dbraw/zinc/92/28/36/606922836.db2.gz YQKZQYVMENUMNO-UHFFFAOYSA-N -1 3 367.457 3.181 20 0 FGADHM Cl/C=C(/Cl)CN1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000822563948 606924924 /nfs/dbraw/zinc/92/49/24/606924924.db2.gz RPHBOGCOWADKLN-FMIVXFBMSA-N -1 3 354.241 3.029 20 0 FGADHM CC[C@@H](OC(=O)c1cc(-c2nnn[n-]2)cn1C)c1c(F)cccc1Cl ZINC000820939458 606929533 /nfs/dbraw/zinc/92/95/33/606929533.db2.gz UUHPIQOXLHNGGK-CYBMUJFWSA-N -1 3 363.780 3.306 20 0 FGADHM CC[C@@H](OC(=O)c1cc(-c2nn[n-]n2)cn1C)c1c(F)cccc1Cl ZINC000820939458 606929535 /nfs/dbraw/zinc/92/95/35/606929535.db2.gz UUHPIQOXLHNGGK-CYBMUJFWSA-N -1 3 363.780 3.306 20 0 FGADHM FC(F)(F)c1ccc(NC[C@@H]2CSCCS2)c(-c2nnn[n-]2)c1 ZINC000822728746 606943977 /nfs/dbraw/zinc/94/39/77/606943977.db2.gz LZZWHNFSYVFUGW-SECBINFHSA-N -1 3 361.418 3.146 20 0 FGADHM FC(F)(F)c1ccc(NC[C@@H]2CSCCS2)c(-c2nn[n-]n2)c1 ZINC000822728746 606943979 /nfs/dbraw/zinc/94/39/79/606943979.db2.gz LZZWHNFSYVFUGW-SECBINFHSA-N -1 3 361.418 3.146 20 0 FGADHM COc1ccc(CNc2nc3ccccc3cc2-c2nnn[n-]2)c(F)c1 ZINC000821824890 606946803 /nfs/dbraw/zinc/94/68/03/606946803.db2.gz PURWNVRQUTXFPG-UHFFFAOYSA-N -1 3 350.357 3.175 20 0 FGADHM COc1ccc(CNc2nc3ccccc3cc2-c2nn[n-]n2)c(F)c1 ZINC000821824890 606946804 /nfs/dbraw/zinc/94/68/04/606946804.db2.gz PURWNVRQUTXFPG-UHFFFAOYSA-N -1 3 350.357 3.175 20 0 FGADHM CN(C(=O)Cn1ccc2ccccc21)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821571900 606960857 /nfs/dbraw/zinc/96/08/57/606960857.db2.gz KFCLRXOTSSDAHT-UHFFFAOYSA-N -1 3 366.812 3.138 20 0 FGADHM CN(C(=O)Cn1ccc2ccccc21)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821571900 606960859 /nfs/dbraw/zinc/96/08/59/606960859.db2.gz KFCLRXOTSSDAHT-UHFFFAOYSA-N -1 3 366.812 3.138 20 0 FGADHM CN(C(=O)c1cnc2ccsc2c1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821574508 606964683 /nfs/dbraw/zinc/96/46/83/606964683.db2.gz JOVFYODRMNLLGE-UHFFFAOYSA-N -1 3 370.825 3.406 20 0 FGADHM CN(C(=O)c1cnc2ccsc2c1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821574508 606964685 /nfs/dbraw/zinc/96/46/85/606964685.db2.gz JOVFYODRMNLLGE-UHFFFAOYSA-N -1 3 370.825 3.406 20 0 FGADHM CN(C(=O)CSc1ccccc1Cl)c1ccccc1-c1nnn[n-]1 ZINC000821570846 606971032 /nfs/dbraw/zinc/97/10/32/606971032.db2.gz NYGFDJBJMFZMPE-UHFFFAOYSA-N -1 3 359.842 3.275 20 0 FGADHM CN(C(=O)CSc1ccccc1Cl)c1ccccc1-c1nn[n-]n1 ZINC000821570846 606971034 /nfs/dbraw/zinc/97/10/34/606971034.db2.gz NYGFDJBJMFZMPE-UHFFFAOYSA-N -1 3 359.842 3.275 20 0 FGADHM Cc1ccccc1[C@@H]1CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)[C@@H](C)CO1 ZINC000822350752 606977956 /nfs/dbraw/zinc/97/79/56/606977956.db2.gz GOAHVVVVRALCPT-LIRRHRJNSA-N -1 3 367.428 3.276 20 0 FGADHM Cc1ccccc1[C@@H]1CN(Cc2ccc(F)c(-c3nn[n-]n3)c2)[C@@H](C)CO1 ZINC000822350752 606977957 /nfs/dbraw/zinc/97/79/57/606977957.db2.gz GOAHVVVVRALCPT-LIRRHRJNSA-N -1 3 367.428 3.276 20 0 FGADHM Cc1ccccc1[C@@H]1CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)[C@H](C)CO1 ZINC000822350749 606978069 /nfs/dbraw/zinc/97/80/69/606978069.db2.gz GOAHVVVVRALCPT-KUHUBIRLSA-N -1 3 367.428 3.276 20 0 FGADHM Cc1ccccc1[C@@H]1CN(Cc2ccc(F)c(-c3nn[n-]n3)c2)[C@H](C)CO1 ZINC000822350749 606978071 /nfs/dbraw/zinc/97/80/71/606978071.db2.gz GOAHVVVVRALCPT-KUHUBIRLSA-N -1 3 367.428 3.276 20 0 FGADHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)NCCC1=CCCCC1 ZINC000819997080 606983364 /nfs/dbraw/zinc/98/33/64/606983364.db2.gz PSAJYIJBVFSNGY-UHFFFAOYSA-N -1 3 355.442 3.031 20 0 FGADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCC1=CCCCC1 ZINC000819997080 606983366 /nfs/dbraw/zinc/98/33/66/606983366.db2.gz PSAJYIJBVFSNGY-UHFFFAOYSA-N -1 3 355.442 3.031 20 0 FGADHM C[C@@H](c1cccc(Cl)c1)S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820563640 606989891 /nfs/dbraw/zinc/98/98/91/606989891.db2.gz SJGXIBNSRIUHQA-NSHDSACASA-N -1 3 362.842 3.196 20 0 FGADHM C[C@@H](c1cccc(Cl)c1)S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820563640 606989893 /nfs/dbraw/zinc/98/98/93/606989893.db2.gz SJGXIBNSRIUHQA-NSHDSACASA-N -1 3 362.842 3.196 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000823421982 607000899 /nfs/dbraw/zinc/00/08/99/607000899.db2.gz LZIRRCSEFQZRST-NEPJUHHUSA-N -1 3 374.322 3.131 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000823421982 607000902 /nfs/dbraw/zinc/00/09/02/607000902.db2.gz LZIRRCSEFQZRST-NEPJUHHUSA-N -1 3 374.322 3.131 20 0 FGADHM O=C(Cc1coc2cc(F)ccc12)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000823118484 607002671 /nfs/dbraw/zinc/00/26/71/607002671.db2.gz AKFRNWLWIZTZST-UHFFFAOYSA-N -1 3 370.315 3.177 20 0 FGADHM O=C(Cc1coc2cc(F)ccc12)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000823118484 607002673 /nfs/dbraw/zinc/00/26/73/607002673.db2.gz AKFRNWLWIZTZST-UHFFFAOYSA-N -1 3 370.315 3.177 20 0 FGADHM C[C@@H]1CC(=O)c2c1c(F)ccc2OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820641561 607006879 /nfs/dbraw/zinc/00/68/79/607006879.db2.gz DHYFDXAPIIKWQW-SECBINFHSA-N -1 3 356.332 3.414 20 0 FGADHM C[C@@H]1CC(=O)c2c1c(F)ccc2OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820641561 607006880 /nfs/dbraw/zinc/00/68/80/607006880.db2.gz DHYFDXAPIIKWQW-SECBINFHSA-N -1 3 356.332 3.414 20 0 FGADHM Fc1ccc(CSc2nnc(Cc3cccs3)o2)cc1-c1nnn[n-]1 ZINC000822773975 607008655 /nfs/dbraw/zinc/00/86/55/607008655.db2.gz CXIBWONGYFYQKM-UHFFFAOYSA-N -1 3 374.426 3.333 20 0 FGADHM Fc1ccc(CSc2nnc(Cc3cccs3)o2)cc1-c1nn[n-]n1 ZINC000822773975 607008657 /nfs/dbraw/zinc/00/86/57/607008657.db2.gz CXIBWONGYFYQKM-UHFFFAOYSA-N -1 3 374.426 3.333 20 0 FGADHM COc1ccc(C)cc1NC(=O)[C@H](C)Sc1cccc(-c2nnn[n-]2)c1 ZINC000821782153 607011984 /nfs/dbraw/zinc/01/19/84/607011984.db2.gz AUTHYGPBGPOGCD-LBPRGKRZSA-N -1 3 369.450 3.303 20 0 FGADHM COc1ccc(C)cc1NC(=O)[C@H](C)Sc1cccc(-c2nn[n-]n2)c1 ZINC000821782153 607011986 /nfs/dbraw/zinc/01/19/86/607011986.db2.gz AUTHYGPBGPOGCD-LBPRGKRZSA-N -1 3 369.450 3.303 20 0 FGADHM O=C(CSc1cccc(-c2nnn[n-]2)c1)NC1(c2ccccc2)CCC1 ZINC000823070591 607014084 /nfs/dbraw/zinc/01/40/84/607014084.db2.gz GKOYOBZITSKUIU-UHFFFAOYSA-N -1 3 365.462 3.154 20 0 FGADHM O=C(CSc1cccc(-c2nn[n-]n2)c1)NC1(c2ccccc2)CCC1 ZINC000823070591 607014086 /nfs/dbraw/zinc/01/40/86/607014086.db2.gz GKOYOBZITSKUIU-UHFFFAOYSA-N -1 3 365.462 3.154 20 0 FGADHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1N1CCOC2(CCCC2)C1 ZINC000822718493 607031795 /nfs/dbraw/zinc/03/17/95/607031795.db2.gz KEXZNTPGHYBKJZ-UHFFFAOYSA-N -1 3 353.348 3.035 20 0 FGADHM O[C@@]12CCCC[C@H]1CN(c1ccc(C(F)(F)F)cc1-c1nnn[n-]1)CC2 ZINC000823697844 607032749 /nfs/dbraw/zinc/03/27/49/607032749.db2.gz NNYMEDNLKRGOES-BLLLJJGKSA-N -1 3 367.375 3.017 20 0 FGADHM O[C@@]12CCCC[C@H]1CN(c1ccc(C(F)(F)F)cc1-c1nn[n-]n1)CC2 ZINC000823697844 607032750 /nfs/dbraw/zinc/03/27/50/607032750.db2.gz NNYMEDNLKRGOES-BLLLJJGKSA-N -1 3 367.375 3.017 20 0 FGADHM O[C@]12CCCC[C@H]1CN(c1ccc(-c3nnn[n-]3)c(C(F)(F)F)c1)CC2 ZINC000823699807 607034261 /nfs/dbraw/zinc/03/42/61/607034261.db2.gz YAOJIYOTLUUGSP-ZBEGNZNMSA-N -1 3 367.375 3.017 20 0 FGADHM O[C@]12CCCC[C@H]1CN(c1ccc(-c3nn[n-]n3)c(C(F)(F)F)c1)CC2 ZINC000823699807 607034263 /nfs/dbraw/zinc/03/42/63/607034263.db2.gz YAOJIYOTLUUGSP-ZBEGNZNMSA-N -1 3 367.375 3.017 20 0 FGADHM CN(C)C(=O)c1cccc(CSCc2cc(F)ccc2-c2nnn[n-]2)c1 ZINC000821579613 607034655 /nfs/dbraw/zinc/03/46/55/607034655.db2.gz IFPABZPOCKGBNQ-UHFFFAOYSA-N -1 3 371.441 3.141 20 0 FGADHM CN(C)C(=O)c1cccc(CSCc2cc(F)ccc2-c2nn[n-]n2)c1 ZINC000821579613 607034657 /nfs/dbraw/zinc/03/46/57/607034657.db2.gz IFPABZPOCKGBNQ-UHFFFAOYSA-N -1 3 371.441 3.141 20 0 FGADHM Cn1c(SCc2cc(F)ccc2-c2nnn[n-]2)nnc1-c1ccccc1 ZINC000822604808 607038064 /nfs/dbraw/zinc/03/80/64/607038064.db2.gz LFYFDMOXWWPRJO-UHFFFAOYSA-N -1 3 367.413 3.094 20 0 FGADHM Cn1c(SCc2cc(F)ccc2-c2nn[n-]n2)nnc1-c1ccccc1 ZINC000822604808 607038065 /nfs/dbraw/zinc/03/80/65/607038065.db2.gz LFYFDMOXWWPRJO-UHFFFAOYSA-N -1 3 367.413 3.094 20 0 FGADHM Clc1cccc(COc2ccc(Br)cc2-c2nnn[n-]2)n1 ZINC000822585917 607043937 /nfs/dbraw/zinc/04/39/37/607043937.db2.gz OOQPHDBTWAWWIF-UHFFFAOYSA-N -1 3 366.606 3.257 20 0 FGADHM Clc1cccc(COc2ccc(Br)cc2-c2nn[n-]n2)n1 ZINC000822585917 607043938 /nfs/dbraw/zinc/04/39/38/607043938.db2.gz OOQPHDBTWAWWIF-UHFFFAOYSA-N -1 3 366.606 3.257 20 0 FGADHM Cc1cccc(C)c1CNC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822294374 607055935 /nfs/dbraw/zinc/05/59/35/607055935.db2.gz YJGSFIOFARSFMC-AWEZNQCLSA-N -1 3 350.426 3.044 20 0 FGADHM Cc1cccc(C)c1CNC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822294374 607055937 /nfs/dbraw/zinc/05/59/37/607055937.db2.gz YJGSFIOFARSFMC-AWEZNQCLSA-N -1 3 350.426 3.044 20 0 FGADHM Cc1nn(C(C)(C)C)cc1[C@@H](C)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000822486973 607058155 /nfs/dbraw/zinc/05/81/55/607058155.db2.gz VOQNNGDLMBLHFE-LLVKDONJSA-N -1 3 357.437 3.117 20 0 FGADHM CCC1(CC)[C@H](OC)C[C@@H]1N(C)C(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000820955454 607066380 /nfs/dbraw/zinc/06/63/80/607066380.db2.gz CBXZOMYPGNMYPE-JKSUJKDBSA-N -1 3 372.473 3.233 20 0 FGADHM CCC1(CC)[C@H](OC)C[C@@H]1N(C)C(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000820955454 607066381 /nfs/dbraw/zinc/06/63/81/607066381.db2.gz CBXZOMYPGNMYPE-JKSUJKDBSA-N -1 3 372.473 3.233 20 0 FGADHM C[C@H](Cc1cccc(F)c1)C(=O)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000820300684 607080477 /nfs/dbraw/zinc/08/04/77/607080477.db2.gz UAIITBWJPDYVSM-LLVKDONJSA-N -1 3 358.348 3.067 20 0 FGADHM C[C@H](Cc1cccc(F)c1)C(=O)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000820300684 607080479 /nfs/dbraw/zinc/08/04/79/607080479.db2.gz UAIITBWJPDYVSM-LLVKDONJSA-N -1 3 358.348 3.067 20 0 FGADHM CC(C)(C)c1nc(C(=O)OCc2cc(F)ccc2-c2nnn[n-]2)cs1 ZINC000819965425 607082205 /nfs/dbraw/zinc/08/22/05/607082205.db2.gz GIIGLXKMMLWVAY-UHFFFAOYSA-N -1 3 361.402 3.117 20 0 FGADHM CC(C)(C)c1nc(C(=O)OCc2cc(F)ccc2-c2nn[n-]n2)cs1 ZINC000819965425 607082207 /nfs/dbraw/zinc/08/22/07/607082207.db2.gz GIIGLXKMMLWVAY-UHFFFAOYSA-N -1 3 361.402 3.117 20 0 FGADHM CS[C@@H](C(=O)OCc1cc(F)ccc1-c1nnn[n-]1)c1ccccc1 ZINC000821940977 607084139 /nfs/dbraw/zinc/08/41/39/607084139.db2.gz AWTDFDQYJNRNCO-OAHLLOKOSA-N -1 3 358.398 3.153 20 0 FGADHM CS[C@@H](C(=O)OCc1cc(F)ccc1-c1nn[n-]n1)c1ccccc1 ZINC000821940977 607084140 /nfs/dbraw/zinc/08/41/40/607084140.db2.gz AWTDFDQYJNRNCO-OAHLLOKOSA-N -1 3 358.398 3.153 20 0 FGADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CCc1cc(F)ccc1F ZINC000821304597 607100477 /nfs/dbraw/zinc/10/04/77/607100477.db2.gz MRSDZROTGARVMC-UHFFFAOYSA-N -1 3 372.379 3.148 20 0 FGADHM Cc1cc(C(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)c(Cl)cc1F ZINC000822168837 607116312 /nfs/dbraw/zinc/11/63/12/607116312.db2.gz SVWKPCAWKLOKME-UHFFFAOYSA-N -1 3 359.792 3.240 20 0 FGADHM Cc1cc(C(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)c(Cl)cc1F ZINC000822168837 607116313 /nfs/dbraw/zinc/11/63/13/607116313.db2.gz SVWKPCAWKLOKME-UHFFFAOYSA-N -1 3 359.792 3.240 20 0 FGADHM Cc1cc(C(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c(Cl)cc1F ZINC000822167630 607116722 /nfs/dbraw/zinc/11/67/22/607116722.db2.gz FTZCNGRMCGBQDO-JTQLQIEISA-N -1 3 359.792 3.459 20 0 FGADHM Cc1cc(C(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c(Cl)cc1F ZINC000822167630 607116724 /nfs/dbraw/zinc/11/67/24/607116724.db2.gz FTZCNGRMCGBQDO-JTQLQIEISA-N -1 3 359.792 3.459 20 0 FGADHM C[C@@H]1CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C[C@@H](c2ccsc2)O1 ZINC000820759340 607122600 /nfs/dbraw/zinc/12/26/00/607122600.db2.gz JLWILNUMBYUESY-BZNIZROVSA-N -1 3 359.430 3.029 20 0 FGADHM C[C@@H]1CN(Cc2ccc(F)c(-c3nn[n-]n3)c2)C[C@@H](c2ccsc2)O1 ZINC000820759340 607122601 /nfs/dbraw/zinc/12/26/01/607122601.db2.gz JLWILNUMBYUESY-BZNIZROVSA-N -1 3 359.430 3.029 20 0 FGADHM CCCC1(CNC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000821033402 607131565 /nfs/dbraw/zinc/13/15/65/607131565.db2.gz AJPDWTBIVANXJO-UHFFFAOYSA-N -1 3 357.458 3.112 20 0 FGADHM CCCC1(CNC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000821033402 607131566 /nfs/dbraw/zinc/13/15/66/607131566.db2.gz AJPDWTBIVANXJO-UHFFFAOYSA-N -1 3 357.458 3.112 20 0 FGADHM CSc1cccc(NC(=O)[C@@H](C)Oc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000821984018 607139563 /nfs/dbraw/zinc/13/95/63/607139563.db2.gz LHPITRBPWZUBPI-SNVBAGLBSA-N -1 3 373.413 3.134 20 0 FGADHM CSc1cccc(NC(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000821984018 607139565 /nfs/dbraw/zinc/13/95/65/607139565.db2.gz LHPITRBPWZUBPI-SNVBAGLBSA-N -1 3 373.413 3.134 20 0 FGADHM CC1(C)CCC[C@H](Nc2ccc(N3CCC(O)CC3)c(-c3nnn[n-]3)c2)C1 ZINC000820590056 607150118 /nfs/dbraw/zinc/15/01/18/607150118.db2.gz QAAKKTSORPFSJH-HNNXBMFYSA-N -1 3 370.501 3.209 20 0 FGADHM CC1(C)CCC[C@H](Nc2ccc(N3CCC(O)CC3)c(-c3nn[n-]n3)c2)C1 ZINC000820590056 607150120 /nfs/dbraw/zinc/15/01/20/607150120.db2.gz QAAKKTSORPFSJH-HNNXBMFYSA-N -1 3 370.501 3.209 20 0 FGADHM C[C@H](OC1CCCCCC1)C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820519968 607152028 /nfs/dbraw/zinc/15/20/28/607152028.db2.gz XSWPPRCRQPWOTQ-KBPBESRZSA-N -1 3 357.458 3.172 20 0 FGADHM C[C@H](OC1CCCCCC1)C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820519968 607152029 /nfs/dbraw/zinc/15/20/29/607152029.db2.gz XSWPPRCRQPWOTQ-KBPBESRZSA-N -1 3 357.458 3.172 20 0 FGADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OCc1ccc(Cl)nc1 ZINC000821699314 607158509 /nfs/dbraw/zinc/15/85/09/607158509.db2.gz LCGKHAGDBZGYOL-UHFFFAOYSA-N -1 3 352.181 3.156 20 0 FGADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OCc1ccc(Cl)nc1 ZINC000821699314 607158511 /nfs/dbraw/zinc/15/85/11/607158511.db2.gz LCGKHAGDBZGYOL-UHFFFAOYSA-N -1 3 352.181 3.156 20 0 FGADHM c1cc(Oc2ccc(-c3nnn[n-]3)cc2)ccc1OCCC1OCCCO1 ZINC000823762611 607159788 /nfs/dbraw/zinc/15/97/88/607159788.db2.gz QGVMTQXCNIAUNV-UHFFFAOYSA-N -1 3 368.393 3.191 20 0 FGADHM c1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1OCCC1OCCCO1 ZINC000823762611 607159791 /nfs/dbraw/zinc/15/97/91/607159791.db2.gz QGVMTQXCNIAUNV-UHFFFAOYSA-N -1 3 368.393 3.191 20 0 FGADHM Cc1c(Cl)cccc1NCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000822034970 607164873 /nfs/dbraw/zinc/16/48/73/607164873.db2.gz NEMPKFQEWSVAST-UHFFFAOYSA-N -1 3 367.800 3.491 20 0 FGADHM Cc1c(Cl)cccc1NCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822034970 607164875 /nfs/dbraw/zinc/16/48/75/607164875.db2.gz NEMPKFQEWSVAST-UHFFFAOYSA-N -1 3 367.800 3.491 20 0 FGADHM O=C(COc1ccc(-c2nnn[n-]2)cc1F)c1ccc(F)c(Cl)c1 ZINC000823040420 607170996 /nfs/dbraw/zinc/17/09/96/607170996.db2.gz KHVXYLSIGIXOMC-UHFFFAOYSA-N -1 3 350.712 3.060 20 0 FGADHM O=C(COc1ccc(-c2nn[n-]n2)cc1F)c1ccc(F)c(Cl)c1 ZINC000823040420 607170997 /nfs/dbraw/zinc/17/09/97/607170997.db2.gz KHVXYLSIGIXOMC-UHFFFAOYSA-N -1 3 350.712 3.060 20 0 FGADHM Fc1cc(-c2nnn[n-]2)ccc1OCc1csc(-c2ccccn2)n1 ZINC000822748103 607171584 /nfs/dbraw/zinc/17/15/84/607171584.db2.gz HZEDXFVRAXKIAB-UHFFFAOYSA-N -1 3 354.370 3.103 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1OCc1csc(-c2ccccn2)n1 ZINC000822748103 607171585 /nfs/dbraw/zinc/17/15/85/607171585.db2.gz HZEDXFVRAXKIAB-UHFFFAOYSA-N -1 3 354.370 3.103 20 0 FGADHM Cc1ccc2c(c1)[C@@H](NC(=O)Nc1ccc(-c3nnn[n-]3)cc1Cl)CO2 ZINC000822274919 607197479 /nfs/dbraw/zinc/19/74/79/607197479.db2.gz LROKKZMXFZWDGI-AWEZNQCLSA-N -1 3 370.800 3.084 20 0 FGADHM Cc1ccc2c(c1)[C@@H](NC(=O)Nc1ccc(-c3nn[n-]n3)cc1Cl)CO2 ZINC000822274919 607197480 /nfs/dbraw/zinc/19/74/80/607197480.db2.gz LROKKZMXFZWDGI-AWEZNQCLSA-N -1 3 370.800 3.084 20 0 FGADHM Cc1c[nH]c(-c2ccccc2NC(=O)C=Cc2ccccc2-c2nnn[n-]2)n1 ZINC000822130224 607225224 /nfs/dbraw/zinc/22/52/24/607225224.db2.gz RBMFZXWDENZQJR-KHPPLWFESA-N -1 3 371.404 3.217 20 0 FGADHM Cc1c[nH]c(-c2ccccc2NC(=O)C=Cc2ccccc2-c2nn[n-]n2)n1 ZINC000822130224 607225225 /nfs/dbraw/zinc/22/52/25/607225225.db2.gz RBMFZXWDENZQJR-KHPPLWFESA-N -1 3 371.404 3.217 20 0 FGADHM CC(C)CCCCCCNC(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000820072680 607232531 /nfs/dbraw/zinc/23/25/31/607232531.db2.gz KMKCZGZPQRPNSI-UHFFFAOYSA-N -1 3 350.854 3.251 20 0 FGADHM CC(C)CCCCCCNC(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000820072680 607232532 /nfs/dbraw/zinc/23/25/32/607232532.db2.gz KMKCZGZPQRPNSI-UHFFFAOYSA-N -1 3 350.854 3.251 20 0 FGADHM C[C@@H]1CCC[C@H](C)N(C(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820690257 607238998 /nfs/dbraw/zinc/23/89/98/607238998.db2.gz IGWDNKKHZHVHPL-KGLIPLIRSA-N -1 3 357.458 3.061 20 0 FGADHM C[C@@H]1CCC[C@H](C)N(C(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820690257 607238999 /nfs/dbraw/zinc/23/89/99/607238999.db2.gz IGWDNKKHZHVHPL-KGLIPLIRSA-N -1 3 357.458 3.061 20 0 FGADHM O=C(C[C@@H]1CCc2ccccc2C1)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000822945348 607245552 /nfs/dbraw/zinc/24/55/52/607245552.db2.gz BSCWOCSFPBRQTI-GFCCVEGCSA-N -1 3 352.369 3.106 20 0 FGADHM O=C(C[C@@H]1CCc2ccccc2C1)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000822945348 607245553 /nfs/dbraw/zinc/24/55/53/607245553.db2.gz BSCWOCSFPBRQTI-GFCCVEGCSA-N -1 3 352.369 3.106 20 0 FGADHM O=C(C[C@H]1CCCc2ccccc21)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000822945666 607246649 /nfs/dbraw/zinc/24/66/49/607246649.db2.gz NIBKPAUJPPLRMF-CYBMUJFWSA-N -1 3 352.369 3.421 20 0 FGADHM O=C(C[C@H]1CCCc2ccccc21)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000822945666 607246650 /nfs/dbraw/zinc/24/66/50/607246650.db2.gz NIBKPAUJPPLRMF-CYBMUJFWSA-N -1 3 352.369 3.421 20 0 FGADHM CC(C)OCc1ccc(C(=O)Oc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000820145708 607248607 /nfs/dbraw/zinc/24/86/07/607248607.db2.gz DXRIXYDFMLABAE-UHFFFAOYSA-N -1 3 356.357 3.150 20 0 FGADHM CC(C)OCc1ccc(C(=O)Oc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000820145708 607248608 /nfs/dbraw/zinc/24/86/08/607248608.db2.gz DXRIXYDFMLABAE-UHFFFAOYSA-N -1 3 356.357 3.150 20 0 FGADHM CC[C@@H](CSc1ccccc1)NC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000825128783 607772397 /nfs/dbraw/zinc/77/23/97/607772397.db2.gz YLLOBHKYBHNKCZ-INIZCTEOSA-N -1 3 367.478 3.096 20 0 FGADHM CC[C@@H](CSc1ccccc1)NC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000825128783 607772398 /nfs/dbraw/zinc/77/23/98/607772398.db2.gz YLLOBHKYBHNKCZ-INIZCTEOSA-N -1 3 367.478 3.096 20 0 FGADHM C[C@H](OC(=O)CCc1ccc(F)cc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000824715448 607777437 /nfs/dbraw/zinc/77/74/37/607777437.db2.gz SFXHUXSDCIVULS-NSHDSACASA-N -1 3 358.348 3.382 20 0 FGADHM C[C@H](OC(=O)CCc1ccc(F)cc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000824715448 607777438 /nfs/dbraw/zinc/77/74/38/607777438.db2.gz SFXHUXSDCIVULS-NSHDSACASA-N -1 3 358.348 3.382 20 0 FGADHM CC(C)c1ccccc1OCCC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000824352617 607783016 /nfs/dbraw/zinc/78/30/16/607783016.db2.gz KOAIBPYFMIYMDH-UHFFFAOYSA-N -1 3 357.439 3.459 20 0 FGADHM CC[C@@H](C)OCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCCC2 ZINC000825074365 607785504 /nfs/dbraw/zinc/78/55/04/607785504.db2.gz HAQSPMJLLPKEQF-LLVKDONJSA-N -1 3 363.487 3.341 20 0 FGADHM CC[C@@H](C)OCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCCC2 ZINC000825074365 607785505 /nfs/dbraw/zinc/78/55/05/607785505.db2.gz HAQSPMJLLPKEQF-LLVKDONJSA-N -1 3 363.487 3.341 20 0 FGADHM CC(C)c1cccc(OCC(=O)N(C)c2ccccc2-c2nnn[n-]2)c1 ZINC000824348040 607786153 /nfs/dbraw/zinc/78/61/53/607786153.db2.gz XPBDUSDDAVDZEY-UHFFFAOYSA-N -1 3 351.410 3.032 20 0 FGADHM CC(C)c1cccc(OCC(=O)N(C)c2ccccc2-c2nn[n-]n2)c1 ZINC000824348040 607786154 /nfs/dbraw/zinc/78/61/54/607786154.db2.gz XPBDUSDDAVDZEY-UHFFFAOYSA-N -1 3 351.410 3.032 20 0 FGADHM CC[C@@H](CC(=O)N(C)c1ccccc1-c1nnn[n-]1)c1ccc(OC)cc1 ZINC000825081067 607790629 /nfs/dbraw/zinc/79/06/29/607790629.db2.gz FJYQRNLWTMHKOX-AWEZNQCLSA-N -1 3 365.437 3.422 20 0 FGADHM CC[C@@H](CC(=O)N(C)c1ccccc1-c1nn[n-]n1)c1ccc(OC)cc1 ZINC000825081067 607790630 /nfs/dbraw/zinc/79/06/30/607790630.db2.gz FJYQRNLWTMHKOX-AWEZNQCLSA-N -1 3 365.437 3.422 20 0 FGADHM CCN(C(=O)Cc1c[nH]c2ccc(F)cc12)c1ccc(-c2nnn[n-]2)cc1 ZINC000825377054 607795452 /nfs/dbraw/zinc/79/54/52/607795452.db2.gz SFJGLIRSXPSYQN-UHFFFAOYSA-N -1 3 364.384 3.083 20 0 FGADHM CCN(C(=O)Cc1c[nH]c2ccc(F)cc12)c1ccc(-c2nn[n-]n2)cc1 ZINC000825377054 607795453 /nfs/dbraw/zinc/79/54/53/607795453.db2.gz SFJGLIRSXPSYQN-UHFFFAOYSA-N -1 3 364.384 3.083 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCC(C)(c2ccccc2)CC1 ZINC000826244475 607795980 /nfs/dbraw/zinc/79/59/80/607795980.db2.gz UJJJGHFJYSJTER-UHFFFAOYSA-N -1 3 361.449 3.369 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCC(C)(c2ccccc2)CC1 ZINC000826244475 607795981 /nfs/dbraw/zinc/79/59/81/607795981.db2.gz UJJJGHFJYSJTER-UHFFFAOYSA-N -1 3 361.449 3.369 20 0 FGADHM CCN(C(=O)[C@@H]1C[C@H]1c1cccc(F)c1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367377 607797229 /nfs/dbraw/zinc/79/72/29/607797229.db2.gz OKJKIZCUVGXTQR-LSDHHAIUSA-N -1 3 369.375 3.302 20 0 FGADHM CCN(C(=O)[C@@H]1C[C@H]1c1cccc(F)c1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367377 607797230 /nfs/dbraw/zinc/79/72/30/607797230.db2.gz OKJKIZCUVGXTQR-LSDHHAIUSA-N -1 3 369.375 3.302 20 0 FGADHM CCN(C(=O)COc1cccc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000825371180 607798444 /nfs/dbraw/zinc/79/84/44/607798444.db2.gz CYIAESVRAYYUDE-UHFFFAOYSA-N -1 3 373.416 3.452 20 0 FGADHM CCN(C(=O)COc1cccc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000825371180 607798445 /nfs/dbraw/zinc/79/84/45/607798445.db2.gz CYIAESVRAYYUDE-UHFFFAOYSA-N -1 3 373.416 3.452 20 0 FGADHM CCN(C(=O)Cc1c[nH]c2cccc(C)c12)c1ccc(-c2nnn[n-]2)cc1 ZINC000825376631 607798474 /nfs/dbraw/zinc/79/84/74/607798474.db2.gz KITSFHNCQSPQCO-UHFFFAOYSA-N -1 3 360.421 3.252 20 0 FGADHM CCN(C(=O)Cc1c[nH]c2cccc(C)c12)c1ccc(-c2nn[n-]n2)cc1 ZINC000825376631 607798475 /nfs/dbraw/zinc/79/84/75/607798475.db2.gz KITSFHNCQSPQCO-UHFFFAOYSA-N -1 3 360.421 3.252 20 0 FGADHM CCN(C(=O)C=Cc1ccc2ccccc2n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367056 607798854 /nfs/dbraw/zinc/79/88/54/607798854.db2.gz INLLIPAJJIJENA-SDNWHVSQSA-N -1 3 370.416 3.481 20 0 FGADHM CCN(C(=O)C=Cc1ccc2ccccc2n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367056 607798855 /nfs/dbraw/zinc/79/88/55/607798855.db2.gz INLLIPAJJIJENA-SDNWHVSQSA-N -1 3 370.416 3.481 20 0 FGADHM CCN(C(=O)C[C@H]1CCc2ccccc2C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825366938 607799944 /nfs/dbraw/zinc/79/99/44/607799944.db2.gz HITREVNSXGCOIS-HNNXBMFYSA-N -1 3 361.449 3.415 20 0 FGADHM CCN(C(=O)C[C@H]1CCc2ccccc2C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825366938 607799945 /nfs/dbraw/zinc/79/99/45/607799945.db2.gz HITREVNSXGCOIS-HNNXBMFYSA-N -1 3 361.449 3.415 20 0 FGADHM CSc1nc(C2CC2)cc(C(=O)NCCC2=CCCC2)c1-c1nnn[n-]1 ZINC000826231290 607803274 /nfs/dbraw/zinc/80/32/74/607803274.db2.gz FKEPXUARMDNVEW-UHFFFAOYSA-N -1 3 370.482 3.091 20 0 FGADHM CCOc1ccccc1C(F)(F)C(=O)OCc1ccccc1-c1nnn[n-]1 ZINC000825654226 607805718 /nfs/dbraw/zinc/80/57/18/607805718.db2.gz SKNLQROUYPKIPV-UHFFFAOYSA-N -1 3 374.347 3.101 20 0 FGADHM CCOc1ccccc1C(F)(F)C(=O)OCc1ccccc1-c1nn[n-]n1 ZINC000825654226 607805719 /nfs/dbraw/zinc/80/57/19/607805719.db2.gz SKNLQROUYPKIPV-UHFFFAOYSA-N -1 3 374.347 3.101 20 0 FGADHM CC(C)C1CN(C(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)C1 ZINC000824223402 607808436 /nfs/dbraw/zinc/80/84/36/607808436.db2.gz HZXXRMJQZORVPC-UHFFFAOYSA-N -1 3 363.421 3.387 20 0 FGADHM CC(C)C1CN(C(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)C1 ZINC000824223402 607808437 /nfs/dbraw/zinc/80/84/37/607808437.db2.gz HZXXRMJQZORVPC-UHFFFAOYSA-N -1 3 363.421 3.387 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C[C@@H](C)c1c(C)noc1C ZINC000825620377 607816690 /nfs/dbraw/zinc/81/66/90/607816690.db2.gz ALNLIBGJCPLQEG-SNVBAGLBSA-N -1 3 370.413 3.003 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C[C@@H](C)c1c(C)noc1C ZINC000825620377 607816691 /nfs/dbraw/zinc/81/66/91/607816691.db2.gz ALNLIBGJCPLQEG-SNVBAGLBSA-N -1 3 370.413 3.003 20 0 FGADHM C[C@@H](Cc1ccccc1Cl)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000824456911 607830309 /nfs/dbraw/zinc/83/03/09/607830309.db2.gz AKKIERZYXKBBSV-JTQLQIEISA-N -1 3 359.792 3.477 20 0 FGADHM C[C@@H](Cc1ccccc1Cl)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000824456911 607830310 /nfs/dbraw/zinc/83/03/10/607830310.db2.gz AKKIERZYXKBBSV-JTQLQIEISA-N -1 3 359.792 3.477 20 0 FGADHM C[C@@H]1CSc2ccccc2N(C(=O)c2sccc2-c2nnn[n-]2)C1 ZINC000825012235 607831654 /nfs/dbraw/zinc/83/16/54/607831654.db2.gz FHGJYGPYNRPYGM-JTQLQIEISA-N -1 3 357.464 3.317 20 0 FGADHM C[C@@H]1CSc2ccccc2N(C(=O)c2sccc2-c2nn[n-]n2)C1 ZINC000825012235 607831655 /nfs/dbraw/zinc/83/16/55/607831655.db2.gz FHGJYGPYNRPYGM-JTQLQIEISA-N -1 3 357.464 3.317 20 0 FGADHM COc1cccc(NC(=O)c2c(Cl)cc(-c3nnn[n-]3)cc2Cl)c1 ZINC000826216497 607832946 /nfs/dbraw/zinc/83/29/46/607832946.db2.gz BAVROUGBDALKHY-UHFFFAOYSA-N -1 3 364.192 3.434 20 0 FGADHM COc1cccc(NC(=O)c2c(Cl)cc(-c3nn[n-]n3)cc2Cl)c1 ZINC000826216497 607832947 /nfs/dbraw/zinc/83/29/47/607832947.db2.gz BAVROUGBDALKHY-UHFFFAOYSA-N -1 3 364.192 3.434 20 0 FGADHM C[C@@H](NC(=O)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl)c1cccnc1 ZINC000824507796 607833126 /nfs/dbraw/zinc/83/31/26/607833126.db2.gz YMNBMCGCXPFDPK-MRVPVSSYSA-N -1 3 363.208 3.060 20 0 FGADHM C[C@@H](NC(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl)c1cccnc1 ZINC000824507796 607833127 /nfs/dbraw/zinc/83/31/27/607833127.db2.gz YMNBMCGCXPFDPK-MRVPVSSYSA-N -1 3 363.208 3.060 20 0 FGADHM CC[C@@H]1CCCN(C(=O)c2c(Cl)cc(-c3nnn[n-]3)cc2Cl)C1 ZINC000825191393 607833147 /nfs/dbraw/zinc/83/31/47/607833147.db2.gz BJHROBQQJZBBNX-SECBINFHSA-N -1 3 354.241 3.436 20 0 FGADHM CC[C@@H]1CCCN(C(=O)c2c(Cl)cc(-c3nn[n-]n3)cc2Cl)C1 ZINC000825191393 607833148 /nfs/dbraw/zinc/83/31/48/607833148.db2.gz BJHROBQQJZBBNX-SECBINFHSA-N -1 3 354.241 3.436 20 0 FGADHM CN(CCOc1ccccc1F)c1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000825946164 607838759 /nfs/dbraw/zinc/83/87/59/607838759.db2.gz LFSGMLZYEXRCCG-UHFFFAOYSA-N -1 3 364.384 3.069 20 0 FGADHM CN(CCOc1ccccc1F)c1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000825946164 607838760 /nfs/dbraw/zinc/83/87/60/607838760.db2.gz LFSGMLZYEXRCCG-UHFFFAOYSA-N -1 3 364.384 3.069 20 0 FGADHM CN(Cn1ccc(-c2cccs2)n1)c1ccc(-c2nn[n-]n2)cc1F ZINC000825998749 607848305 /nfs/dbraw/zinc/84/83/05/607848305.db2.gz BJTNGNNGFIHBHC-UHFFFAOYSA-N -1 3 355.402 3.025 20 0 FGADHM O[C@@H](COc1c(Cl)cccc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000826503679 607870343 /nfs/dbraw/zinc/87/03/43/607870343.db2.gz COYLQGQWLRXZMI-ZDUSSCGKSA-N -1 3 351.193 3.286 20 0 FGADHM O[C@@H](COc1c(Cl)cccc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000826503679 607870344 /nfs/dbraw/zinc/87/03/44/607870344.db2.gz COYLQGQWLRXZMI-ZDUSSCGKSA-N -1 3 351.193 3.286 20 0 FGADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC[C@H](O)c1cc(C)cc(C)c1 ZINC000826167873 607872029 /nfs/dbraw/zinc/87/20/29/607872029.db2.gz UIHYSJWXKVBQNQ-HNNXBMFYSA-N -1 3 374.828 3.258 20 0 FGADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC[C@H](O)c1cc(C)cc(C)c1 ZINC000826167873 607872030 /nfs/dbraw/zinc/87/20/30/607872030.db2.gz UIHYSJWXKVBQNQ-HNNXBMFYSA-N -1 3 374.828 3.258 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1OC[C@H](O)c1ccccc1C(F)(F)F ZINC000826279348 607877265 /nfs/dbraw/zinc/87/72/65/607877265.db2.gz NWIXRFYBGQHUGV-AWEZNQCLSA-N -1 3 364.327 3.306 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1OC[C@H](O)c1ccccc1C(F)(F)F ZINC000826279348 607877266 /nfs/dbraw/zinc/87/72/66/607877266.db2.gz NWIXRFYBGQHUGV-AWEZNQCLSA-N -1 3 364.327 3.306 20 0 FGADHM CCN(C(=O)Cc1ccc(F)cc1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825377263 607877883 /nfs/dbraw/zinc/87/78/83/607877883.db2.gz ZOVXFEGRKYDZLI-UHFFFAOYSA-N -1 3 359.792 3.255 20 0 FGADHM CCN(C(=O)Cc1ccc(F)cc1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825377263 607877884 /nfs/dbraw/zinc/87/78/84/607877884.db2.gz ZOVXFEGRKYDZLI-UHFFFAOYSA-N -1 3 359.792 3.255 20 0 FGADHM CCN(C(=O)Cc1ccccc1OC)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825377173 607878992 /nfs/dbraw/zinc/87/89/92/607878992.db2.gz WAPCUVBHWFIQQY-UHFFFAOYSA-N -1 3 371.828 3.124 20 0 FGADHM CCN(C(=O)Cc1ccccc1OC)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825377173 607878993 /nfs/dbraw/zinc/87/89/93/607878993.db2.gz WAPCUVBHWFIQQY-UHFFFAOYSA-N -1 3 371.828 3.124 20 0 FGADHM Brc1cccc(-c2cnc(Cn3ccc(-c4nnn[n-]4)c3)o2)c1 ZINC000823831965 607890789 /nfs/dbraw/zinc/89/07/89/607890789.db2.gz HMARSFOKBKAMHD-UHFFFAOYSA-N -1 3 371.198 3.134 20 0 FGADHM Brc1cccc(-c2cnc(Cn3ccc(-c4nn[n-]n4)c3)o2)c1 ZINC000823831965 607890790 /nfs/dbraw/zinc/89/07/90/607890790.db2.gz HMARSFOKBKAMHD-UHFFFAOYSA-N -1 3 371.198 3.134 20 0 FGADHM C[C@@H](Nc1c(Cl)cccc1-c1nnn[n-]1)c1ccc([S@@](C)=O)cc1 ZINC000824651167 607903552 /nfs/dbraw/zinc/90/35/52/607903552.db2.gz XBPWIZJAVHZTJR-VKTRGTBVSA-N -1 3 361.858 3.431 20 0 FGADHM C[C@@H](Nc1c(Cl)cccc1-c1nn[n-]n1)c1ccc([S@@](C)=O)cc1 ZINC000824651167 607903553 /nfs/dbraw/zinc/90/35/53/607903553.db2.gz XBPWIZJAVHZTJR-VKTRGTBVSA-N -1 3 361.858 3.431 20 0 FGADHM CC(=O)c1ccc2c(c1)CCN(c1ccc(-c3nnn[n-]3)c(Cl)c1)CC2 ZINC000824029291 607903572 /nfs/dbraw/zinc/90/35/72/607903572.db2.gz ITAKJYPYUQBKJI-UHFFFAOYSA-N -1 3 367.840 3.328 20 0 FGADHM CC(=O)c1ccc2c(c1)CCN(c1ccc(-c3nn[n-]n3)c(Cl)c1)CC2 ZINC000824029291 607903573 /nfs/dbraw/zinc/90/35/73/607903573.db2.gz ITAKJYPYUQBKJI-UHFFFAOYSA-N -1 3 367.840 3.328 20 0 FGADHM COc1ccc(CNC(=O)[C@@H]2CC[C@H]3CCCC[C@H]3C2)cc1-c1nnn[n-]1 ZINC000826195998 607908539 /nfs/dbraw/zinc/90/85/39/607908539.db2.gz NFLDWKIYFSAZRL-OWCLPIDISA-N -1 3 369.469 3.098 20 0 FGADHM COc1ccc(CNC(=O)[C@@H]2CC[C@H]3CCCC[C@H]3C2)cc1-c1nn[n-]n1 ZINC000826195998 607908540 /nfs/dbraw/zinc/90/85/40/607908540.db2.gz NFLDWKIYFSAZRL-OWCLPIDISA-N -1 3 369.469 3.098 20 0 FGADHM COc1ccc(C(F)(F)C(=O)OCc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000826189235 607924231 /nfs/dbraw/zinc/92/42/31/607924231.db2.gz QNVCXACTWJQVMZ-UHFFFAOYSA-N -1 3 374.347 3.019 20 0 FGADHM COc1ccc(C(F)(F)C(=O)OCc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000826189235 607924232 /nfs/dbraw/zinc/92/42/32/607924232.db2.gz QNVCXACTWJQVMZ-UHFFFAOYSA-N -1 3 374.347 3.019 20 0 FGADHM CC(C)COc1ccc(C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)cc1 ZINC000824272460 607946068 /nfs/dbraw/zinc/94/60/68/607946068.db2.gz YACQZPBHKDBOFU-UHFFFAOYSA-N -1 3 363.421 3.104 20 0 FGADHM CC(C)COc1ccc(C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)cc1 ZINC000824272460 607946069 /nfs/dbraw/zinc/94/60/69/607946069.db2.gz YACQZPBHKDBOFU-UHFFFAOYSA-N -1 3 363.421 3.104 20 0 FGADHM O=C(c1c[nH]cc1-c1ccccc1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826469372 607947605 /nfs/dbraw/zinc/94/76/05/607947605.db2.gz DYHKCNULDNOGOI-UHFFFAOYSA-N -1 3 356.389 3.065 20 0 FGADHM O=C(c1c[nH]cc1-c1ccccc1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826469372 607947606 /nfs/dbraw/zinc/94/76/06/607947606.db2.gz DYHKCNULDNOGOI-UHFFFAOYSA-N -1 3 356.389 3.065 20 0 FGADHM CC(C)(C)c1ccc(C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)s1 ZINC000824135097 607948547 /nfs/dbraw/zinc/94/85/47/607948547.db2.gz AQQFGBNKFWPNRV-UHFFFAOYSA-N -1 3 353.451 3.429 20 0 FGADHM CC(C)(C)c1ccc(C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)s1 ZINC000824135097 607948548 /nfs/dbraw/zinc/94/85/48/607948548.db2.gz AQQFGBNKFWPNRV-UHFFFAOYSA-N -1 3 353.451 3.429 20 0 FGADHM Cc1cc(NCc2cc(-c3nnn[n-]3)ccc2F)ncc1Br ZINC000826271079 607965920 /nfs/dbraw/zinc/96/59/20/607965920.db2.gz BFASWQVWFPPXLP-UHFFFAOYSA-N -1 3 363.194 3.084 20 0 FGADHM Cc1cc(NCc2cc(-c3nn[n-]n3)ccc2F)ncc1Br ZINC000826271079 607965921 /nfs/dbraw/zinc/96/59/21/607965921.db2.gz BFASWQVWFPPXLP-UHFFFAOYSA-N -1 3 363.194 3.084 20 0 FGADHM CCOc1cc(-c2nc3cc(-c4nnn[n-]4)ccc3n2CC)ccc1O ZINC000825605005 607975035 /nfs/dbraw/zinc/97/50/35/607975035.db2.gz NEOCKSWVXNUDHY-UHFFFAOYSA-N -1 3 350.382 3.008 20 0 FGADHM CCOc1cc(-c2nc3cc(-c4nn[n-]n4)ccc3n2CC)ccc1O ZINC000825605005 607975036 /nfs/dbraw/zinc/97/50/36/607975036.db2.gz NEOCKSWVXNUDHY-UHFFFAOYSA-N -1 3 350.382 3.008 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc(Cl)c(OC)c1 ZINC000825625717 607978600 /nfs/dbraw/zinc/97/86/00/607978600.db2.gz CGDKCBOJLZTRPD-UHFFFAOYSA-N -1 3 373.800 3.180 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(Cl)c(OC)c1 ZINC000825625717 607978601 /nfs/dbraw/zinc/97/86/01/607978601.db2.gz CGDKCBOJLZTRPD-UHFFFAOYSA-N -1 3 373.800 3.180 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1CNc1cc(-c2ncco2)ccc1C ZINC000826183816 607982748 /nfs/dbraw/zinc/98/27/48/607982748.db2.gz AYXCGJGKMBVMCM-UHFFFAOYSA-N -1 3 362.393 3.451 20 0 FGADHM COc1ccc(C[C@H](C)C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826191463 607993126 /nfs/dbraw/zinc/99/31/26/607993126.db2.gz HNXBUZWILLZANM-UONOGXRCSA-N -1 3 366.421 3.358 20 0 FGADHM COc1ccc(C[C@H](C)C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826191463 607993127 /nfs/dbraw/zinc/99/31/27/607993127.db2.gz HNXBUZWILLZANM-UONOGXRCSA-N -1 3 366.421 3.358 20 0 FGADHM COc1ccc(C[C@H](C)C(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1 ZINC000826190701 607994878 /nfs/dbraw/zinc/99/48/78/607994878.db2.gz KHHCVXBRHMOGAZ-LBPRGKRZSA-N -1 3 351.410 3.001 20 0 FGADHM COc1ccc(C[C@H](C)C(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1 ZINC000826190701 607994879 /nfs/dbraw/zinc/99/48/79/607994879.db2.gz KHHCVXBRHMOGAZ-LBPRGKRZSA-N -1 3 351.410 3.001 20 0 FGADHM Cc1ccc(-c2ncco2)cc1NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000826273615 608004221 /nfs/dbraw/zinc/00/42/21/608004221.db2.gz MRJYFNHFBJINJY-HJWRWDBZSA-N -1 3 372.388 3.482 20 0 FGADHM Cc1ccc(-c2ncco2)cc1NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000826273615 608004222 /nfs/dbraw/zinc/00/42/22/608004222.db2.gz MRJYFNHFBJINJY-HJWRWDBZSA-N -1 3 372.388 3.482 20 0 FGADHM COCCCCNc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826155914 608018994 /nfs/dbraw/zinc/01/89/94/608018994.db2.gz HNJPSQJKFCDLDF-UHFFFAOYSA-N -1 3 353.426 3.284 20 0 FGADHM COCCCCNc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826155914 608018995 /nfs/dbraw/zinc/01/89/95/608018995.db2.gz HNJPSQJKFCDLDF-UHFFFAOYSA-N -1 3 353.426 3.284 20 0 FGADHM COc1ccccc1[C@H](NCc1cccc(-c2nnn[n-]2)c1)c1ccccn1 ZINC000826218634 608027354 /nfs/dbraw/zinc/02/73/54/608027354.db2.gz HTPLVIYNFYGABF-FQEVSTJZSA-N -1 3 372.432 3.150 20 0 FGADHM COc1ccccc1[C@H](NCc1cccc(-c2nn[n-]n2)c1)c1ccccn1 ZINC000826218634 608027355 /nfs/dbraw/zinc/02/73/55/608027355.db2.gz HTPLVIYNFYGABF-FQEVSTJZSA-N -1 3 372.432 3.150 20 0 FGADHM Cc1csc(CCNc2ccc(-c3nn[n-]n3)cc2Br)n1 ZINC000826320910 608048039 /nfs/dbraw/zinc/04/80/39/608048039.db2.gz JRFQUAZVQICUAF-UHFFFAOYSA-N -1 3 365.260 3.049 20 0 FGADHM Cc1cnn(-c2ccc(C)cc2NCc2cc(-c3nnn[n-]3)cs2)c1 ZINC000826280511 608055912 /nfs/dbraw/zinc/05/59/12/608055912.db2.gz FAYIKSUZTURKRO-UHFFFAOYSA-N -1 3 351.439 3.343 20 0 FGADHM Cc1cnn(-c2ccc(C)cc2NCc2cc(-c3nn[n-]n3)cs2)c1 ZINC000826280511 608055913 /nfs/dbraw/zinc/05/59/13/608055913.db2.gz FAYIKSUZTURKRO-UHFFFAOYSA-N -1 3 351.439 3.343 20 0 FGADHM FC(F)CN(Cc1ccc(-c2nnn[n-]2)cc1OC(F)F)CC1CCC1 ZINC000826369853 608064979 /nfs/dbraw/zinc/06/49/79/608064979.db2.gz SZWBCRRAUAUDOD-UHFFFAOYSA-N -1 3 373.354 3.335 20 0 FGADHM FC(F)CN(Cc1ccc(-c2nn[n-]n2)cc1OC(F)F)CC1CCC1 ZINC000826369853 608064980 /nfs/dbraw/zinc/06/49/80/608064980.db2.gz SZWBCRRAUAUDOD-UHFFFAOYSA-N -1 3 373.354 3.335 20 0 FGADHM C[C@@H](c1c(F)cccc1F)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824763834 608068037 /nfs/dbraw/zinc/06/80/37/608068037.db2.gz PLRPXANFUPIWPJ-YVEFUNNKSA-N -1 3 371.391 3.279 20 0 FGADHM C[C@@H](c1c(F)cccc1F)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824763834 608068038 /nfs/dbraw/zinc/06/80/38/608068038.db2.gz PLRPXANFUPIWPJ-YVEFUNNKSA-N -1 3 371.391 3.279 20 0 FGADHM C[C@H](c1ccc(F)cc1)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824761753 608068385 /nfs/dbraw/zinc/06/83/85/608068385.db2.gz CGZFNIQCMDLRQF-FZKQIMNGSA-N -1 3 353.401 3.140 20 0 FGADHM C[C@H](c1ccc(F)cc1F)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824761405 608069633 /nfs/dbraw/zinc/06/96/33/608069633.db2.gz ACMQJYQNAVPYTL-KZULUSFZSA-N -1 3 371.391 3.279 20 0 FGADHM C[C@H](c1ccc(F)cc1F)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824761405 608069634 /nfs/dbraw/zinc/06/96/34/608069634.db2.gz ACMQJYQNAVPYTL-KZULUSFZSA-N -1 3 371.391 3.279 20 0 FGADHM C[C@@H](CC(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1)CC(C)(C)C ZINC000824385345 608085418 /nfs/dbraw/zinc/08/54/18/608085418.db2.gz QVCISLHNYNPIGJ-YOEHRIQHSA-N -1 3 371.485 3.229 20 0 FGADHM C[C@@H](CC(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1)CC(C)(C)C ZINC000824385345 608085419 /nfs/dbraw/zinc/08/54/19/608085419.db2.gz QVCISLHNYNPIGJ-YOEHRIQHSA-N -1 3 371.485 3.229 20 0 FGADHM C[C@@H](C[C@@H](O)c1ccco1)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000824390770 608123052 /nfs/dbraw/zinc/12/30/52/608123052.db2.gz DFZVWFUMMKOLLH-TVQRCGJNSA-N -1 3 367.331 3.403 20 0 FGADHM C[C@@H](C[C@@H](O)c1ccco1)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000824390770 608123053 /nfs/dbraw/zinc/12/30/53/608123053.db2.gz DFZVWFUMMKOLLH-TVQRCGJNSA-N -1 3 367.331 3.403 20 0 FGADHM CCCC[C@H](CC)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OCCOC ZINC000825259980 608138450 /nfs/dbraw/zinc/13/84/50/608138450.db2.gz LUWJKWJREZQFFC-ZDUSSCGKSA-N -1 3 361.446 3.047 20 0 FGADHM CCCC[C@H](CC)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OCCOC ZINC000825259980 608138451 /nfs/dbraw/zinc/13/84/51/608138451.db2.gz LUWJKWJREZQFFC-ZDUSSCGKSA-N -1 3 361.446 3.047 20 0 FGADHM COc1ccc([C@H](C)OC(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000826211768 608168493 /nfs/dbraw/zinc/16/84/93/608168493.db2.gz TYEXGEVTTOIHBZ-SRXBQZRASA-N -1 3 350.378 3.193 20 0 FGADHM COc1ccc([C@H](C)OC(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000826211768 608168494 /nfs/dbraw/zinc/16/84/94/608168494.db2.gz TYEXGEVTTOIHBZ-SRXBQZRASA-N -1 3 350.378 3.193 20 0 FGADHM COc1ccc(Cl)cc1C(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826208530 608182172 /nfs/dbraw/zinc/18/21/72/608182172.db2.gz OZJKZUIFRADMKG-JTQLQIEISA-N -1 3 358.785 3.447 20 0 FGADHM COc1ccc(Cl)cc1C(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826208530 608182173 /nfs/dbraw/zinc/18/21/73/608182173.db2.gz OZJKZUIFRADMKG-JTQLQIEISA-N -1 3 358.785 3.447 20 0 FGADHM CCc1c(C(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)cnn1C(C)(C)C ZINC000825686919 608185383 /nfs/dbraw/zinc/18/53/83/608185383.db2.gz BPINNSALPLWBMV-GFCCVEGCSA-N -1 3 368.441 3.299 20 0 FGADHM CCc1c(C(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)cnn1C(C)(C)C ZINC000825686919 608185385 /nfs/dbraw/zinc/18/53/85/608185385.db2.gz BPINNSALPLWBMV-GFCCVEGCSA-N -1 3 368.441 3.299 20 0 FGADHM Cc1nn(C(C)(C)C)c(C)c1C(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826333025 608186314 /nfs/dbraw/zinc/18/63/14/608186314.db2.gz QRCBTWGROVZPBJ-ZDUSSCGKSA-N -1 3 368.441 3.353 20 0 FGADHM Cc1nn(C(C)(C)C)c(C)c1C(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826333025 608186316 /nfs/dbraw/zinc/18/63/16/608186316.db2.gz QRCBTWGROVZPBJ-ZDUSSCGKSA-N -1 3 368.441 3.353 20 0 FGADHM CCC(CC)(CC)C(=O)NCc1nc(-c2cccc(-c3nnn[n-]3)c2)c[nH]1 ZINC000825089541 608189816 /nfs/dbraw/zinc/18/98/16/608189816.db2.gz IOCUDIGOSOXRFJ-UHFFFAOYSA-N -1 3 367.457 3.089 20 0 FGADHM CCC(CC)(CC)C(=O)NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1 ZINC000825089541 608189818 /nfs/dbraw/zinc/18/98/18/608189818.db2.gz IOCUDIGOSOXRFJ-UHFFFAOYSA-N -1 3 367.457 3.089 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H]1CC12CCCCC2 ZINC000825627332 608204767 /nfs/dbraw/zinc/20/47/67/608204767.db2.gz XIEIPJXQEZJUST-HNNXBMFYSA-N -1 3 356.430 3.110 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H]1CC12CCCCC2 ZINC000825627332 608204769 /nfs/dbraw/zinc/20/47/69/608204769.db2.gz XIEIPJXQEZJUST-HNNXBMFYSA-N -1 3 356.430 3.110 20 0 FGADHM C[C@@H]1C[C@H](C)CN(C(=O)CSc2cccc(Cl)c2-c2nnn[n-]2)C1 ZINC000824874015 608205532 /nfs/dbraw/zinc/20/55/32/608205532.db2.gz AXMBHAUDNWPUEI-PHIMTYICSA-N -1 3 365.890 3.117 20 0 FGADHM C[C@@H]1C[C@H](C)CN(C(=O)CSc2cccc(Cl)c2-c2nn[n-]n2)C1 ZINC000824874015 608205534 /nfs/dbraw/zinc/20/55/34/608205534.db2.gz AXMBHAUDNWPUEI-PHIMTYICSA-N -1 3 365.890 3.117 20 0 FGADHM COc1cccc2c1OCC[C@H]2Nc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000826218265 608225352 /nfs/dbraw/zinc/22/53/52/608225352.db2.gz WJBYUKUIADMRIZ-MRXNPFEDSA-N -1 3 374.404 3.359 20 0 FGADHM COc1cccc2c1OCC[C@H]2Nc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000826218265 608225354 /nfs/dbraw/zinc/22/53/54/608225354.db2.gz WJBYUKUIADMRIZ-MRXNPFEDSA-N -1 3 374.404 3.359 20 0 FGADHM CC(C)(C)c1nc(CCNc2nc3c(cc2-c2nnn[n-]2)CCC3)cs1 ZINC000824142838 608230116 /nfs/dbraw/zinc/23/01/16/608230116.db2.gz XNYHYJLAJUGLLH-UHFFFAOYSA-N -1 3 369.498 3.159 20 0 FGADHM CC(C)(C)c1nc(CCNc2nc3c(cc2-c2nn[n-]n2)CCC3)cs1 ZINC000824142838 608230118 /nfs/dbraw/zinc/23/01/18/608230118.db2.gz XNYHYJLAJUGLLH-UHFFFAOYSA-N -1 3 369.498 3.159 20 0 FGADHM COc1ccc([C@H](OC)[C@@H](C)Nc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000826189985 608239896 /nfs/dbraw/zinc/23/98/96/608239896.db2.gz LQTWRXWHRSHNLQ-PIGZYNQJSA-N -1 3 357.389 3.203 20 0 FGADHM Cc1cccc(C)c1[C@@H](C)OC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000826297147 608249083 /nfs/dbraw/zinc/24/90/83/608249083.db2.gz XDQUAQKSBZIQIB-CQSZACIVSA-N -1 3 352.394 3.167 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1CSc1ccc(NC(C)=O)cc1 ZINC000826173762 608261054 /nfs/dbraw/zinc/26/10/54/608261054.db2.gz TULWMYJRFQDACG-UHFFFAOYSA-N -1 3 355.423 3.126 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1CSc1ccc(NC(C)=O)cc1 ZINC000826173762 608261055 /nfs/dbraw/zinc/26/10/55/608261055.db2.gz TULWMYJRFQDACG-UHFFFAOYSA-N -1 3 355.423 3.126 20 0 FGADHM CC[C@H]1CC[C@@H](C)N1C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000825191622 608261456 /nfs/dbraw/zinc/26/14/56/608261456.db2.gz DJQGWFIWOIADRH-KOLCDFICSA-N -1 3 366.372 3.263 20 0 FGADHM CC[C@H]1CC[C@@H](C)N1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000825191622 608261458 /nfs/dbraw/zinc/26/14/58/608261458.db2.gz DJQGWFIWOIADRH-KOLCDFICSA-N -1 3 366.372 3.263 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1COc1c(F)c(F)c(F)c(F)c1F ZINC000826173194 608263743 /nfs/dbraw/zinc/26/37/43/608263743.db2.gz RMKXLCSERVEIID-UHFFFAOYSA-N -1 3 372.253 3.150 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1COc1c(F)c(F)c(F)c(F)c1F ZINC000826173194 608263744 /nfs/dbraw/zinc/26/37/44/608263744.db2.gz RMKXLCSERVEIID-UHFFFAOYSA-N -1 3 372.253 3.150 20 0 FGADHM CCC(=O)c1ccc(OCc2ccc(-c3nnn[n-]3)cc2OC)c(F)c1 ZINC000825039363 608265474 /nfs/dbraw/zinc/26/54/74/608265474.db2.gz QEQKUXRMLOUZFM-UHFFFAOYSA-N -1 3 356.357 3.186 20 0 FGADHM CCC(=O)c1ccc(OCc2ccc(-c3nn[n-]n3)cc2OC)c(F)c1 ZINC000825039363 608265475 /nfs/dbraw/zinc/26/54/75/608265475.db2.gz QEQKUXRMLOUZFM-UHFFFAOYSA-N -1 3 356.357 3.186 20 0 FGADHM CCOc1ccc(CCNc2nc(C)ccc2-c2nnn[n-]2)cc1OCC ZINC000825639188 608269098 /nfs/dbraw/zinc/26/90/98/608269098.db2.gz SWHDIPOYZGFYKJ-UHFFFAOYSA-N -1 3 368.441 3.022 20 0 FGADHM CCOc1ccc(CCNc2nc(C)ccc2-c2nn[n-]n2)cc1OCC ZINC000825639188 608269099 /nfs/dbraw/zinc/26/90/99/608269099.db2.gz SWHDIPOYZGFYKJ-UHFFFAOYSA-N -1 3 368.441 3.022 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)c(NCc2cc(F)cc(Br)c2)n1 ZINC000826276323 608277126 /nfs/dbraw/zinc/27/71/26/608277126.db2.gz AJLQTYYZSYMGQR-UHFFFAOYSA-N -1 3 363.194 3.084 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)c(NCc2cc(F)cc(Br)c2)n1 ZINC000826276323 608277127 /nfs/dbraw/zinc/27/71/27/608277127.db2.gz AJLQTYYZSYMGQR-UHFFFAOYSA-N -1 3 363.194 3.084 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)c(N[C@H](C)c2nc3cc(Cl)ccc3[nH]2)n1 ZINC000826274992 608286955 /nfs/dbraw/zinc/28/69/55/608286955.db2.gz KYULLHABPDUTCD-SECBINFHSA-N -1 3 354.805 3.273 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)c(NC[C@@H](O)c2cc(Cl)cc(Cl)c2)n1 ZINC000826276200 608290517 /nfs/dbraw/zinc/29/05/17/608290517.db2.gz XKDQJQAQDLHJKQ-CYBMUJFWSA-N -1 3 365.224 3.022 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)c(NC[C@@H](O)c2cc(Cl)cc(Cl)c2)n1 ZINC000826276200 608290519 /nfs/dbraw/zinc/29/05/19/608290519.db2.gz XKDQJQAQDLHJKQ-CYBMUJFWSA-N -1 3 365.224 3.022 20 0 FGADHM c1ccc2nc(N3CCC[C@@H](C[C@@H]4CCOC4)C3)c(-c3nnn[n-]3)cc2c1 ZINC000826523868 608297235 /nfs/dbraw/zinc/29/72/35/608297235.db2.gz AMDKVXJCGDMAAR-GJZGRUSLSA-N -1 3 364.453 3.058 20 0 FGADHM c1ccc2nc(N3CCC[C@@H](C[C@@H]4CCOC4)C3)c(-c3nn[n-]n3)cc2c1 ZINC000826523868 608297237 /nfs/dbraw/zinc/29/72/37/608297237.db2.gz AMDKVXJCGDMAAR-GJZGRUSLSA-N -1 3 364.453 3.058 20 0 FGADHM CCOCCC1(CNc2nc3c(cc2-c2nnn[n-]2)CCCC3)CCC1 ZINC000825590247 608297927 /nfs/dbraw/zinc/29/79/27/608297927.db2.gz REUSQIHLHKOLLQ-UHFFFAOYSA-N -1 3 356.474 3.149 20 0 FGADHM CCOCCC1(CNc2nc3c(cc2-c2nn[n-]n2)CCCC3)CCC1 ZINC000825590247 608297928 /nfs/dbraw/zinc/29/79/28/608297928.db2.gz REUSQIHLHKOLLQ-UHFFFAOYSA-N -1 3 356.474 3.149 20 0 FGADHM Cc1ccc2c(c1)CCN2C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000826293782 608301881 /nfs/dbraw/zinc/30/18/81/608301881.db2.gz BCSHYFATJPHTOZ-UHFFFAOYSA-N -1 3 365.441 3.326 20 0 FGADHM Cc1ccc2c(c1)CCN2C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000826293782 608301883 /nfs/dbraw/zinc/30/18/83/608301883.db2.gz BCSHYFATJPHTOZ-UHFFFAOYSA-N -1 3 365.441 3.326 20 0 FGADHM CCCn1ncc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)c1C1CC1 ZINC000825363302 608310925 /nfs/dbraw/zinc/31/09/25/608310925.db2.gz XAJSRPSMJXIVTM-UHFFFAOYSA-N -1 3 371.832 3.256 20 0 FGADHM CCCn1ncc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)c1C1CC1 ZINC000825363302 608310928 /nfs/dbraw/zinc/31/09/28/608310928.db2.gz XAJSRPSMJXIVTM-UHFFFAOYSA-N -1 3 371.832 3.256 20 0 FGADHM CCCN1C(=O)CCc2cc(NCc3cccc(-c4nnn[n-]4)c3)ccc21 ZINC000825328486 608311414 /nfs/dbraw/zinc/31/14/14/608311414.db2.gz SPNWMDAZMBEDLG-UHFFFAOYSA-N -1 3 362.437 3.168 20 0 FGADHM CCCN1C(=O)CCc2cc(NCc3cccc(-c4nn[n-]n4)c3)ccc21 ZINC000825328486 608311415 /nfs/dbraw/zinc/31/14/15/608311415.db2.gz SPNWMDAZMBEDLG-UHFFFAOYSA-N -1 3 362.437 3.168 20 0 FGADHM Cc1nn(-c2ccccc2)c(CN2CCC[C@@H]3CCC[C@H]32)c1-c1nnn[n-]1 ZINC000826332479 608315572 /nfs/dbraw/zinc/31/55/72/608315572.db2.gz VTQYJLFIJBOZEZ-DOTOQJQBSA-N -1 3 363.469 3.125 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1CNc1ccc(OC(F)F)c(F)c1 ZINC000826170635 608319196 /nfs/dbraw/zinc/31/91/96/608319196.db2.gz JCAVHBVEKDAWTQ-UHFFFAOYSA-N -1 3 365.315 3.228 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1CNc1ccc(OC(F)F)c(F)c1 ZINC000826170635 608319198 /nfs/dbraw/zinc/31/91/98/608319198.db2.gz JCAVHBVEKDAWTQ-UHFFFAOYSA-N -1 3 365.315 3.228 20 0 FGADHM Fc1ccc(CN2CC(c3nc4ccccc4s3)C2)cc1-c1nnn[n-]1 ZINC000826373943 608321147 /nfs/dbraw/zinc/32/11/47/608321147.db2.gz GKGMSFIARSTBFC-UHFFFAOYSA-N -1 3 366.425 3.215 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1CNc1cc(F)ccc1OC(F)F ZINC000826170906 608321295 /nfs/dbraw/zinc/32/12/95/608321295.db2.gz UQKGZRHCDHMCNG-UHFFFAOYSA-N -1 3 365.315 3.228 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1CNc1cc(F)ccc1OC(F)F ZINC000826170906 608321297 /nfs/dbraw/zinc/32/12/97/608321297.db2.gz UQKGZRHCDHMCNG-UHFFFAOYSA-N -1 3 365.315 3.228 20 0 FGADHM COCc1cccc(CSCc2ccc(-c3nnn[n-]3)cc2OC)c1 ZINC000826164437 608321910 /nfs/dbraw/zinc/32/19/10/608321910.db2.gz AFVBNYIFKGAXBA-UHFFFAOYSA-N -1 3 356.451 3.455 20 0 FGADHM COCc1cccc(CSCc2ccc(-c3nn[n-]n3)cc2OC)c1 ZINC000826164437 608321913 /nfs/dbraw/zinc/32/19/13/608321913.db2.gz AFVBNYIFKGAXBA-UHFFFAOYSA-N -1 3 356.451 3.455 20 0 FGADHM CCc1cnccc1[C@@H](C)NC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825733308 608337186 /nfs/dbraw/zinc/33/71/86/608337186.db2.gz BMOZOBBIDTWOHL-SNVBAGLBSA-N -1 3 371.832 3.360 20 0 FGADHM CCc1cnccc1[C@@H](C)NC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825733308 608337188 /nfs/dbraw/zinc/33/71/88/608337188.db2.gz BMOZOBBIDTWOHL-SNVBAGLBSA-N -1 3 371.832 3.360 20 0 FGADHM CS[C@H](C)CCC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826225719 608342425 /nfs/dbraw/zinc/34/24/25/608342425.db2.gz JANFKYCHRJJTJU-MRVPVSSYSA-N -1 3 359.377 3.356 20 0 FGADHM CS[C@H](C)CCC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826225719 608342427 /nfs/dbraw/zinc/34/24/27/608342427.db2.gz JANFKYCHRJJTJU-MRVPVSSYSA-N -1 3 359.377 3.356 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)C(C)(C)c1cccc(F)c1 ZINC000826170908 608360276 /nfs/dbraw/zinc/36/02/76/608360276.db2.gz UVNQZFMZNMOEHW-UHFFFAOYSA-N -1 3 370.384 3.035 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)C(C)(C)c1cccc(F)c1 ZINC000826170908 608360278 /nfs/dbraw/zinc/36/02/78/608360278.db2.gz UVNQZFMZNMOEHW-UHFFFAOYSA-N -1 3 370.384 3.035 20 0 FGADHM Cn1ncc2c1CCC[C@H]2Nc1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000826366701 608366539 /nfs/dbraw/zinc/36/65/39/608366539.db2.gz UNGWHQBUAKJARZ-GFCCVEGCSA-N -1 3 363.347 3.109 20 0 FGADHM Cn1ncc2c1CCC[C@H]2Nc1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826366701 608366540 /nfs/dbraw/zinc/36/65/40/608366540.db2.gz UNGWHQBUAKJARZ-GFCCVEGCSA-N -1 3 363.347 3.109 20 0 FGADHM O=C1Nc2cc(Br)ccc2C1=Cc1cccc(-c2nnn[n-]2)c1 ZINC000826483269 608388022 /nfs/dbraw/zinc/38/80/22/608388022.db2.gz HLMBJODPQLAVMJ-QPEQYQDCSA-N -1 3 368.194 3.122 20 0 FGADHM O=C1Nc2cc(Br)ccc2C1=Cc1cccc(-c2nn[n-]n2)c1 ZINC000826483269 608388024 /nfs/dbraw/zinc/38/80/24/608388024.db2.gz HLMBJODPQLAVMJ-QPEQYQDCSA-N -1 3 368.194 3.122 20 0 FGADHM Cc1ccc(CNC(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000826288225 608388652 /nfs/dbraw/zinc/38/86/52/608388652.db2.gz WMSBYPUNDFRNCZ-UHFFFAOYSA-N -1 3 374.448 3.174 20 0 FGADHM Cc1ccc(CNC(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000826288225 608388654 /nfs/dbraw/zinc/38/86/54/608388654.db2.gz WMSBYPUNDFRNCZ-UHFFFAOYSA-N -1 3 374.448 3.174 20 0 FGADHM Fc1c(CN[C@H](c2ccccc2)C(F)(F)F)cccc1-c1nnn[n-]1 ZINC000826371249 608402936 /nfs/dbraw/zinc/40/29/36/608402936.db2.gz YHECUFFOWKDUJH-CQSZACIVSA-N -1 3 351.307 3.399 20 0 FGADHM Fc1c(CN[C@H](c2ccccc2)C(F)(F)F)cccc1-c1nn[n-]n1 ZINC000826371249 608402938 /nfs/dbraw/zinc/40/29/38/608402938.db2.gz YHECUFFOWKDUJH-CQSZACIVSA-N -1 3 351.307 3.399 20 0 FGADHM C[C@@H](Cc1cccc(F)c1)C(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000824456991 608443953 /nfs/dbraw/zinc/44/39/53/608443953.db2.gz BXLWHSZKJIMEPF-NSHDSACASA-N -1 3 358.348 3.067 20 0 FGADHM C[C@@H](Cc1cccc(F)c1)C(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000824456991 608443954 /nfs/dbraw/zinc/44/39/54/608443954.db2.gz BXLWHSZKJIMEPF-NSHDSACASA-N -1 3 358.348 3.067 20 0 FGADHM CC(C)(C(=O)OCc1cccc(-c2nnn[n-]2)c1F)c1ccc(F)cc1 ZINC000824065209 608445596 /nfs/dbraw/zinc/44/55/96/608445596.db2.gz WHSBMMZWEHQSIU-UHFFFAOYSA-N -1 3 358.348 3.166 20 0 FGADHM CC(C)(C(=O)OCc1cccc(-c2nn[n-]n2)c1F)c1ccc(F)cc1 ZINC000824065209 608445598 /nfs/dbraw/zinc/44/55/98/608445598.db2.gz WHSBMMZWEHQSIU-UHFFFAOYSA-N -1 3 358.348 3.166 20 0 FGADHM O=C(CCc1cc(Cl)cs1)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826407781 608448442 /nfs/dbraw/zinc/44/84/42/608448442.db2.gz AVMOMRQOIXXFBD-UHFFFAOYSA-N -1 3 366.805 3.397 20 0 FGADHM O=C(CCc1cc(Cl)cs1)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826407781 608448443 /nfs/dbraw/zinc/44/84/43/608448443.db2.gz AVMOMRQOIXXFBD-UHFFFAOYSA-N -1 3 366.805 3.397 20 0 FGADHM CSc1cc(C(=O)OCc2cccc(-c3nnn[n-]3)c2F)ccc1F ZINC000826230326 608455009 /nfs/dbraw/zinc/45/50/09/608455009.db2.gz NQKNKMWBUNMUAQ-UHFFFAOYSA-N -1 3 362.361 3.224 20 0 FGADHM CSc1cc(C(=O)OCc2cccc(-c3nn[n-]n3)c2F)ccc1F ZINC000826230326 608455010 /nfs/dbraw/zinc/45/50/10/608455010.db2.gz NQKNKMWBUNMUAQ-UHFFFAOYSA-N -1 3 362.361 3.224 20 0 FGADHM Cc1ccc(-c2nnc(CN[C@H](C)c3ccc(-c4nnn[n-]4)cc3)o2)cc1 ZINC000826273837 608467151 /nfs/dbraw/zinc/46/71/51/608467151.db2.gz WMHCQMUEDXMNPZ-CYBMUJFWSA-N -1 3 361.409 3.076 20 0 FGADHM Cc1ccc(-c2nnc(CN[C@H](C)c3ccc(-c4nn[n-]n4)cc3)o2)cc1 ZINC000826273837 608467152 /nfs/dbraw/zinc/46/71/52/608467152.db2.gz WMHCQMUEDXMNPZ-CYBMUJFWSA-N -1 3 361.409 3.076 20 0 FGADHM Cc1ccc(C)c(CC(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000826285371 608478784 /nfs/dbraw/zinc/47/87/84/608478784.db2.gz YACRSSHLXXPSKR-UHFFFAOYSA-N -1 3 373.460 3.342 20 0 FGADHM Cc1ccc(C)c(CC(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000826285371 608478786 /nfs/dbraw/zinc/47/87/86/608478786.db2.gz YACRSSHLXXPSKR-UHFFFAOYSA-N -1 3 373.460 3.342 20 0 FGADHM O=C(c1ccc2cc[nH]c2c1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826474080 608479232 /nfs/dbraw/zinc/47/92/32/608479232.db2.gz ZKDPUJZDNCJIOQ-UHFFFAOYSA-N -1 3 370.416 3.278 20 0 FGADHM O=C(c1ccc2cc[nH]c2c1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826474080 608479234 /nfs/dbraw/zinc/47/92/34/608479234.db2.gz ZKDPUJZDNCJIOQ-UHFFFAOYSA-N -1 3 370.416 3.278 20 0 FGADHM O=C(c1cccc2c1CCC2)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826474314 608481171 /nfs/dbraw/zinc/48/11/71/608481171.db2.gz KQXJQQJZKKVJOO-UHFFFAOYSA-N -1 3 371.444 3.285 20 0 FGADHM O=C(c1cccc2c1CCC2)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826474314 608481172 /nfs/dbraw/zinc/48/11/72/608481172.db2.gz KQXJQQJZKKVJOO-UHFFFAOYSA-N -1 3 371.444 3.285 20 0 FGADHM CC(C)c1nnc(CN[C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)s1 ZINC000824364386 608515926 /nfs/dbraw/zinc/51/59/26/608515926.db2.gz DPAPXXTUQBLPEY-AWEZNQCLSA-N -1 3 355.471 3.009 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)nc1N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000826280766 608543029 /nfs/dbraw/zinc/54/30/29/608543029.db2.gz ORRCLDTZLVTHLG-CYBMUJFWSA-N -1 3 361.409 3.095 20 0 FGADHM O=C(Nc1ccccc1N1CCCC1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826457761 608574735 /nfs/dbraw/zinc/57/47/35/608574735.db2.gz ORTROPKQNOQZAF-UHFFFAOYSA-N -1 3 368.828 3.373 20 0 FGADHM O=C(Nc1ccccc1N1CCCC1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826457761 608574737 /nfs/dbraw/zinc/57/47/37/608574737.db2.gz ORTROPKQNOQZAF-UHFFFAOYSA-N -1 3 368.828 3.373 20 0 FGADHM CCS[C@H]1CC[C@@H](N(C)C(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)C1 ZINC000825669281 608576818 /nfs/dbraw/zinc/57/68/18/608576818.db2.gz UKWFNEADURQFEO-NEPJUHHUSA-N -1 3 365.890 3.266 20 0 FGADHM CCS[C@H]1CC[C@@H](N(C)C(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)C1 ZINC000825669281 608576820 /nfs/dbraw/zinc/57/68/20/608576820.db2.gz UKWFNEADURQFEO-NEPJUHHUSA-N -1 3 365.890 3.266 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)c1ccc(F)c(Cl)c1F ZINC000826454375 608577181 /nfs/dbraw/zinc/57/71/81/608577181.db2.gz UGDHPYFLCXFCRC-UHFFFAOYSA-N -1 3 353.691 3.190 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)c1ccc(F)c(Cl)c1F ZINC000826454375 608577182 /nfs/dbraw/zinc/57/71/82/608577182.db2.gz UGDHPYFLCXFCRC-UHFFFAOYSA-N -1 3 353.691 3.190 20 0 FGADHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1[C@@H]1CCCc2ccccc21 ZINC000826334669 608584629 /nfs/dbraw/zinc/58/46/29/608584629.db2.gz DTYBVMKXAHQRPG-GOSISDBHSA-N -1 3 357.421 3.359 20 0 FGADHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1[C@@H]1CCCc2ccccc21 ZINC000826334669 608584631 /nfs/dbraw/zinc/58/46/31/608584631.db2.gz DTYBVMKXAHQRPG-GOSISDBHSA-N -1 3 357.421 3.359 20 0 FGADHM CCOc1cccc([C@H]2C[C@H]2Nc2ncc(-c3nnn[n-]3)cc2Cl)c1 ZINC000825649499 608588848 /nfs/dbraw/zinc/58/88/48/608588848.db2.gz QSONCLUAUOKVIC-UKRRQHHQSA-N -1 3 356.817 3.282 20 0 FGADHM CCOc1cccc([C@H]2C[C@H]2Nc2ncc(-c3nn[n-]n3)cc2Cl)c1 ZINC000825649499 608588850 /nfs/dbraw/zinc/58/88/50/608588850.db2.gz QSONCLUAUOKVIC-UKRRQHHQSA-N -1 3 356.817 3.282 20 0 FGADHM Cc1cccc(NC(=O)[C@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)c1F ZINC000826298736 608591871 /nfs/dbraw/zinc/59/18/71/608591871.db2.gz FXTUQTIUXJFGQW-QGZVFWFLSA-N -1 3 369.400 3.356 20 0 FGADHM Cc1cccc(NC(=O)[C@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)c1F ZINC000826298736 608591872 /nfs/dbraw/zinc/59/18/72/608591872.db2.gz FXTUQTIUXJFGQW-QGZVFWFLSA-N -1 3 369.400 3.356 20 0 FGADHM COc1cc(CNc2cnccc2-c2nnn[n-]2)ccc1OCCC(C)C ZINC000826179461 608775429 /nfs/dbraw/zinc/77/54/29/608775429.db2.gz OZIMABBTEIBUBA-UHFFFAOYSA-N -1 3 368.441 3.307 20 0 FGADHM COc1cc(CNc2cnccc2-c2nn[n-]n2)ccc1OCCC(C)C ZINC000826179461 608775430 /nfs/dbraw/zinc/77/54/30/608775430.db2.gz OZIMABBTEIBUBA-UHFFFAOYSA-N -1 3 368.441 3.307 20 0 FGADHM Cc1ccc(CNc2cnccc2-c2nnn[n-]2)c(OCC(F)(F)F)c1 ZINC000826288788 608791756 /nfs/dbraw/zinc/79/17/56/608791756.db2.gz WRUNVYLLYKCGLN-UHFFFAOYSA-N -1 3 364.331 3.123 20 0 FGADHM Cc1ccc(CNc2cnccc2-c2nn[n-]n2)c(OCC(F)(F)F)c1 ZINC000826288788 608791757 /nfs/dbraw/zinc/79/17/57/608791757.db2.gz WRUNVYLLYKCGLN-UHFFFAOYSA-N -1 3 364.331 3.123 20 0 FGADHM C[C@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825014122 608826368 /nfs/dbraw/zinc/82/63/68/608826368.db2.gz TWNSTISQTXJXFR-RYUDHWBXSA-N -1 3 351.385 3.154 20 0 FGADHM C[C@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825014122 608826371 /nfs/dbraw/zinc/82/63/71/608826371.db2.gz TWNSTISQTXJXFR-RYUDHWBXSA-N -1 3 351.385 3.154 20 0 FGADHM COc1cccc(C=C2CCN(Cc3ccc(-c4nnn[n-]4)o3)CC2)c1 ZINC000826215228 608844168 /nfs/dbraw/zinc/84/41/68/608844168.db2.gz JPZIPSLEDOVEKA-UHFFFAOYSA-N -1 3 351.410 3.148 20 0 FGADHM COc1cccc(C=C2CCN(Cc3ccc(-c4nn[n-]n4)o3)CC2)c1 ZINC000826215228 608844177 /nfs/dbraw/zinc/84/41/77/608844177.db2.gz JPZIPSLEDOVEKA-UHFFFAOYSA-N -1 3 351.410 3.148 20 0 FGADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)[C@H]2CC23CCC3)c1-c1nnn[n-]1 ZINC000826233887 609168239 /nfs/dbraw/zinc/16/82/39/609168239.db2.gz YRETVALFIQBNIC-OAHLLOKOSA-N -1 3 362.437 3.403 20 0 FGADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)[C@H]2CC23CCC3)c1-c1nn[n-]n1 ZINC000826233887 609168240 /nfs/dbraw/zinc/16/82/40/609168240.db2.gz YRETVALFIQBNIC-OAHLLOKOSA-N -1 3 362.437 3.403 20 0 FGADHM CC(C)C[C@H]1C[C@@H](Nc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)CCO1 ZINC000824245312 609170940 /nfs/dbraw/zinc/17/09/40/609170940.db2.gz XQWFYHPTQSGKKI-QWRGUYRKSA-N -1 3 370.379 3.286 20 0 FGADHM CC(C)C[C@H]1C[C@@H](Nc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)CCO1 ZINC000824245312 609170941 /nfs/dbraw/zinc/17/09/41/609170941.db2.gz XQWFYHPTQSGKKI-QWRGUYRKSA-N -1 3 370.379 3.286 20 0 FGADHM CC(C)C[C@@H]1C[C@@H](Nc2ccc3cc(-c4nnn[n-]4)ccc3n2)CCO1 ZINC000824245247 609171090 /nfs/dbraw/zinc/17/10/90/609171090.db2.gz WYQXJINWTHOBGM-JKSUJKDBSA-N -1 3 352.442 3.421 20 0 FGADHM CC(C)C[C@@H]1C[C@@H](Nc2ccc3cc(-c4nn[n-]n4)ccc3n2)CCO1 ZINC000824245247 609171092 /nfs/dbraw/zinc/17/10/92/609171092.db2.gz WYQXJINWTHOBGM-JKSUJKDBSA-N -1 3 352.442 3.421 20 0 FGADHM Cc1ccc2c(c1)N(Cc1cn(C)nc1-c1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000826293927 609173956 /nfs/dbraw/zinc/17/39/56/609173956.db2.gz FBPMJIZBFGJYLB-UHFFFAOYSA-N -1 3 371.448 3.138 20 0 FGADHM Cc1ccc2c(c1)N(Cc1cn(C)nc1-c1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000826293927 609173958 /nfs/dbraw/zinc/17/39/58/609173958.db2.gz FBPMJIZBFGJYLB-UHFFFAOYSA-N -1 3 371.448 3.138 20 0 FGADHM CCCc1ccc([C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C(C)C)cc1 ZINC000825348578 609190391 /nfs/dbraw/zinc/19/03/91/609190391.db2.gz QONQNOXCBUKQNF-QGZVFWFLSA-N -1 3 352.442 3.274 20 0 FGADHM CCCc1ccc([C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C(C)C)cc1 ZINC000825348578 609190392 /nfs/dbraw/zinc/19/03/92/609190392.db2.gz QONQNOXCBUKQNF-QGZVFWFLSA-N -1 3 352.442 3.274 20 0 FGADHM Cc1cc(CNc2ccc(Cl)c(-c3nnn[n-]3)c2)ccc1-n1cncn1 ZINC000826266774 609199592 /nfs/dbraw/zinc/19/95/92/609199592.db2.gz AUVRCTQWHWWHEA-UHFFFAOYSA-N -1 3 366.816 3.021 20 0 FGADHM Cc1cc(CNc2ccc(Cl)c(-c3nn[n-]n3)c2)ccc1-n1cncn1 ZINC000826266774 609199593 /nfs/dbraw/zinc/19/95/93/609199593.db2.gz AUVRCTQWHWWHEA-UHFFFAOYSA-N -1 3 366.816 3.021 20 0 FGADHM CCN(C(=O)c1cc(C)n([C@@H](C)C2CC2)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825380549 609208625 /nfs/dbraw/zinc/20/86/25/609208625.db2.gz QOMUSYRTSBDEDK-ZDUSSCGKSA-N -1 3 365.441 3.009 20 0 FGADHM CCN(C(=O)c1cc(C)n([C@@H](C)C2CC2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825380549 609208626 /nfs/dbraw/zinc/20/86/26/609208626.db2.gz QOMUSYRTSBDEDK-ZDUSSCGKSA-N -1 3 365.441 3.009 20 0 FGADHM CC(C)C[C@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1ccc(Cl)cc1 ZINC000824235066 609216921 /nfs/dbraw/zinc/21/69/21/609216921.db2.gz BELCFTLIYBHRML-AWEZNQCLSA-N -1 3 358.833 3.365 20 0 FGADHM CC(C)C[C@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccc(Cl)cc1 ZINC000824235066 609216922 /nfs/dbraw/zinc/21/69/22/609216922.db2.gz BELCFTLIYBHRML-AWEZNQCLSA-N -1 3 358.833 3.365 20 0 FGADHM CCN(C(=O)c1c[nH]c(-c2nnn[n-]2)c1)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000825376699 609220011 /nfs/dbraw/zinc/22/00/11/609220011.db2.gz LKXIIMAGBPMKKK-KRWDZBQOSA-N -1 3 370.432 3.063 20 0 FGADHM CCN(C(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000825376699 609220012 /nfs/dbraw/zinc/22/00/12/609220012.db2.gz LKXIIMAGBPMKKK-KRWDZBQOSA-N -1 3 370.432 3.063 20 0 FGADHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N(Cc1cc(F)ccc1F)C1CCCC1 ZINC000826469240 609223366 /nfs/dbraw/zinc/22/33/66/609223366.db2.gz ZAUKJMCWPUUMMK-UHFFFAOYSA-N -1 3 372.379 3.058 20 0 FGADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N(Cc1cc(F)ccc1F)C1CCCC1 ZINC000826469240 609223369 /nfs/dbraw/zinc/22/33/69/609223369.db2.gz ZAUKJMCWPUUMMK-UHFFFAOYSA-N -1 3 372.379 3.058 20 0 FGADHM O=C(N[C@@H](CC1CCCC1)c1ccccc1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826426825 609228849 /nfs/dbraw/zinc/22/88/49/609228849.db2.gz XEZSJQJVEAVERY-INIZCTEOSA-N -1 3 350.426 3.246 20 0 FGADHM O=C(N[C@@H](CC1CCCC1)c1ccccc1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826426825 609228850 /nfs/dbraw/zinc/22/88/50/609228850.db2.gz XEZSJQJVEAVERY-INIZCTEOSA-N -1 3 350.426 3.246 20 0 FGADHM CCN(CC(=O)c1cc(C)[nH]c1C)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825398960 609269478 /nfs/dbraw/zinc/26/94/78/609269478.db2.gz CJWJTJZLSWPBDS-AWEZNQCLSA-N -1 3 352.442 3.077 20 0 FGADHM C[C@@H](Nc1ccc2c(c1)N(C)CCO2)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824656461 609279084 /nfs/dbraw/zinc/27/90/84/609279084.db2.gz KGAIYOVQUNTLSS-LLVKDONJSA-N -1 3 354.389 3.008 20 0 FGADHM C[C@@H](Nc1ccc2c(c1)N(C)CCO2)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824656461 609279085 /nfs/dbraw/zinc/27/90/85/609279085.db2.gz KGAIYOVQUNTLSS-LLVKDONJSA-N -1 3 354.389 3.008 20 0 FGADHM Cc1cc(Cl)c(C(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000826267611 609280885 /nfs/dbraw/zinc/28/08/85/609280885.db2.gz MWDQJWYFLQTEQH-UHFFFAOYSA-N -1 3 355.829 3.409 20 0 FGADHM Cc1cc(Cl)c(C(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000826267611 609280886 /nfs/dbraw/zinc/28/08/86/609280886.db2.gz MWDQJWYFLQTEQH-UHFFFAOYSA-N -1 3 355.829 3.409 20 0 FGADHM O=C(N[C@@H]1CCc2cc(F)ccc21)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826431912 609290258 /nfs/dbraw/zinc/29/02/58/609290258.db2.gz NJDSAMWIEVHAQV-OAHLLOKOSA-N -1 3 357.776 3.077 20 0 FGADHM O=C(N[C@@H]1CCc2cc(F)ccc21)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826431912 609290259 /nfs/dbraw/zinc/29/02/59/609290259.db2.gz NJDSAMWIEVHAQV-OAHLLOKOSA-N -1 3 357.776 3.077 20 0 FGADHM CCOc1ccc(NC(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)cc1F ZINC000825643451 609290344 /nfs/dbraw/zinc/29/03/44/609290344.db2.gz OHQKERNDVWIJQF-UHFFFAOYSA-N -1 3 361.764 3.310 20 0 FGADHM CCOc1ccc(NC(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)cc1F ZINC000825643451 609290345 /nfs/dbraw/zinc/29/03/45/609290345.db2.gz OHQKERNDVWIJQF-UHFFFAOYSA-N -1 3 361.764 3.310 20 0 FGADHM CC(C)(CNC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)c1cccs1 ZINC000824157785 609299520 /nfs/dbraw/zinc/29/95/20/609299520.db2.gz MDYHMLUMZAWFME-UHFFFAOYSA-N -1 3 361.858 3.289 20 0 FGADHM CC(C)(CNC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)c1cccs1 ZINC000824157785 609299522 /nfs/dbraw/zinc/29/95/22/609299522.db2.gz MDYHMLUMZAWFME-UHFFFAOYSA-N -1 3 361.858 3.289 20 0 FGADHM Cc1cccnc1[C@H](NC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)C(C)C ZINC000826308221 609299925 /nfs/dbraw/zinc/29/99/25/609299925.db2.gz OWCBJABXVCYIES-OAHLLOKOSA-N -1 3 370.844 3.351 20 0 FGADHM Cc1cccnc1[C@H](NC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)C(C)C ZINC000826308221 609299926 /nfs/dbraw/zinc/29/99/26/609299926.db2.gz OWCBJABXVCYIES-OAHLLOKOSA-N -1 3 370.844 3.351 20 0 FGADHM Cn1cccc1[C@@H]1CCCCN1C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826363517 609301531 /nfs/dbraw/zinc/30/15/31/609301531.db2.gz QANWIRZINNVGRL-INIZCTEOSA-N -1 3 370.844 3.226 20 0 FGADHM Cn1cccc1[C@@H]1CCCCN1C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826363517 609301532 /nfs/dbraw/zinc/30/15/32/609301532.db2.gz QANWIRZINNVGRL-INIZCTEOSA-N -1 3 370.844 3.226 20 0 FGADHM COCCC[C@H](C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000826155582 609304241 /nfs/dbraw/zinc/30/42/41/609304241.db2.gz VARZVESAXRFLOH-NSHDSACASA-N -1 3 363.487 3.198 20 0 FGADHM COCCC[C@H](C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000826155582 609304242 /nfs/dbraw/zinc/30/42/42/609304242.db2.gz VARZVESAXRFLOH-NSHDSACASA-N -1 3 363.487 3.198 20 0 FGADHM Fc1cccc(-n2ccc(NCc3cccc4[nH]ccc43)n2)c1-c1nnn[n-]1 ZINC000826376825 609320797 /nfs/dbraw/zinc/32/07/97/609320797.db2.gz UGQFTLOFZQHFQT-UHFFFAOYSA-N -1 3 374.383 3.285 20 0 FGADHM Fc1cccc2c1OCCC[C@H]2Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC000826377706 609324853 /nfs/dbraw/zinc/32/48/53/609324853.db2.gz BXINXGMVKVPJNM-CYBMUJFWSA-N -1 3 360.780 3.380 20 0 FGADHM Fc1cccc2c1OCCC[C@H]2Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC000826377706 609324855 /nfs/dbraw/zinc/32/48/55/609324855.db2.gz BXINXGMVKVPJNM-CYBMUJFWSA-N -1 3 360.780 3.380 20 0 FGADHM CC[C@@H](C)n1nc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc1C ZINC000825081402 609330380 /nfs/dbraw/zinc/33/03/80/609330380.db2.gz ISBLTNAQAZAIAN-SECBINFHSA-N -1 3 359.821 3.248 20 0 FGADHM CC[C@@H](C)n1nc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc1C ZINC000825081402 609330382 /nfs/dbraw/zinc/33/03/82/609330382.db2.gz ISBLTNAQAZAIAN-SECBINFHSA-N -1 3 359.821 3.248 20 0 FGADHM CCCOc1ccc(CN[C@@H](C)c2ccc(-c3nn[n-]n3)cc2F)cn1 ZINC000825339310 609335084 /nfs/dbraw/zinc/33/50/84/609335084.db2.gz WDPWPVHBZOETNW-LBPRGKRZSA-N -1 3 356.405 3.040 20 0 FGADHM C[C@@H](Nc1cccc(N2CCCC2=O)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824662179 609346482 /nfs/dbraw/zinc/34/64/82/609346482.db2.gz FDZHZVWZCOGSIA-GFCCVEGCSA-N -1 3 366.400 3.306 20 0 FGADHM C[C@@H](Nc1cccc(N2CCCC2=O)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824662179 609346485 /nfs/dbraw/zinc/34/64/85/609346485.db2.gz FDZHZVWZCOGSIA-GFCCVEGCSA-N -1 3 366.400 3.306 20 0 FGADHM Cc1cccc(CCCOC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c1 ZINC000826297378 609348195 /nfs/dbraw/zinc/34/81/95/609348195.db2.gz FMZFWAVISMOCLU-UHFFFAOYSA-N -1 3 358.348 3.243 20 0 FGADHM Cc1cccc(CCCOC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c1 ZINC000826297378 609348197 /nfs/dbraw/zinc/34/81/97/609348197.db2.gz FMZFWAVISMOCLU-UHFFFAOYSA-N -1 3 358.348 3.243 20 0 FGADHM Fc1ccc(N2CCC(Nc3cccc(-c4nnn[n-]4)c3)CC2)c(F)c1 ZINC000826375600 609354401 /nfs/dbraw/zinc/35/44/01/609354401.db2.gz UOFNQVGYSNBKQK-UHFFFAOYSA-N -1 3 356.380 3.226 20 0 FGADHM Fc1ccc(N2CCC(Nc3cccc(-c4nn[n-]n4)c3)CC2)c(F)c1 ZINC000826375600 609354404 /nfs/dbraw/zinc/35/44/04/609354404.db2.gz UOFNQVGYSNBKQK-UHFFFAOYSA-N -1 3 356.380 3.226 20 0 FGADHM C[C@@H](c1ccccn1)N(C)Cc1ccc(-c2nnn[n-]2)cc1Br ZINC000824770257 609365979 /nfs/dbraw/zinc/36/59/79/609365979.db2.gz HLZOYOYAVMLKCH-NSHDSACASA-N -1 3 373.258 3.217 20 0 FGADHM C[C@@H](c1ccccn1)N(C)Cc1ccc(-c2nn[n-]n2)cc1Br ZINC000824770257 609365981 /nfs/dbraw/zinc/36/59/81/609365981.db2.gz HLZOYOYAVMLKCH-NSHDSACASA-N -1 3 373.258 3.217 20 0 FGADHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1C[C@@H]1CCc2ccccc2C1 ZINC000826334697 609379097 /nfs/dbraw/zinc/37/90/97/609379097.db2.gz FWHYNHCNVUWCTR-OAHLLOKOSA-N -1 3 371.448 3.239 20 0 FGADHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1C[C@@H]1CCc2ccccc2C1 ZINC000826334697 609379099 /nfs/dbraw/zinc/37/90/99/609379099.db2.gz FWHYNHCNVUWCTR-OAHLLOKOSA-N -1 3 371.448 3.239 20 0 FGADHM O=C1[C@@H](SCc2ccccc2)CCCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000826477775 609416169 /nfs/dbraw/zinc/41/61/69/609416169.db2.gz LLDVTABSGZORTE-KRWDZBQOSA-N -1 3 365.462 3.296 20 0 FGADHM O=C1[C@@H](SCc2ccccc2)CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826477775 609416172 /nfs/dbraw/zinc/41/61/72/609416172.db2.gz LLDVTABSGZORTE-KRWDZBQOSA-N -1 3 365.462 3.296 20 0 FGADHM O=C(C[C@@H]1CCCN1c1ncc(-c2nnn[n-]2)cc1Cl)c1cccs1 ZINC000826404914 609430453 /nfs/dbraw/zinc/43/04/53/609430453.db2.gz PWPUUSFPOWFLCD-NSHDSACASA-N -1 3 374.857 3.218 20 0 FGADHM O=C(C[C@@H]1CCCN1c1ncc(-c2nn[n-]n2)cc1Cl)c1cccs1 ZINC000826404914 609430454 /nfs/dbraw/zinc/43/04/54/609430454.db2.gz PWPUUSFPOWFLCD-NSHDSACASA-N -1 3 374.857 3.218 20 0 FGADHM COCC1(C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)cc2)CC1 ZINC000826152606 609444033 /nfs/dbraw/zinc/44/40/33/609444033.db2.gz HEIAMPGOPTUQPO-UHFFFAOYSA-N -1 3 365.393 3.024 20 0 FGADHM COCC1(C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)cc2)CC1 ZINC000826152606 609444035 /nfs/dbraw/zinc/44/40/35/609444035.db2.gz HEIAMPGOPTUQPO-UHFFFAOYSA-N -1 3 365.393 3.024 20 0 FGADHM CCCOC(=O)[C@H](C)Sc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000825333019 609450285 /nfs/dbraw/zinc/45/02/85/609450285.db2.gz PBQOAGWMZJYVSA-QMMMGPOBSA-N -1 3 360.361 3.319 20 0 FGADHM CCCOC(=O)[C@H](C)Sc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000825333019 609450286 /nfs/dbraw/zinc/45/02/86/609450286.db2.gz PBQOAGWMZJYVSA-QMMMGPOBSA-N -1 3 360.361 3.319 20 0 FGADHM Cc1cc(C)n(CCSc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)n1 ZINC000826264866 609452927 /nfs/dbraw/zinc/45/29/27/609452927.db2.gz CZYFFTUHIULXNT-UHFFFAOYSA-N -1 3 368.388 3.491 20 0 FGADHM Cc1cc(C)n(CCSc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)n1 ZINC000826264866 609452929 /nfs/dbraw/zinc/45/29/29/609452929.db2.gz CZYFFTUHIULXNT-UHFFFAOYSA-N -1 3 368.388 3.491 20 0 FGADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1csc2ccccc12 ZINC000824739131 609459141 /nfs/dbraw/zinc/45/91/41/609459141.db2.gz VMFLOAKUZVTBKP-NSHDSACASA-N -1 3 365.418 3.487 20 0 FGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NCc1nc2ccccc2n1C ZINC000824324385 609478916 /nfs/dbraw/zinc/47/89/16/609478916.db2.gz NFDIEGABUPGCBT-UHFFFAOYSA-N -1 3 363.425 3.153 20 0 FGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NCc1nc2ccccc2n1C ZINC000824324385 609478918 /nfs/dbraw/zinc/47/89/18/609478918.db2.gz NFDIEGABUPGCBT-UHFFFAOYSA-N -1 3 363.425 3.153 20 0 FGADHM COc1ccc(OC)c(CNc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)c1 ZINC000826211023 609491173 /nfs/dbraw/zinc/49/11/73/609491173.db2.gz MQRNYSXXHIFYDH-UHFFFAOYSA-N -1 3 369.425 3.283 20 0 FGADHM COc1ccc(OC)c(CNc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)c1 ZINC000826211023 609491174 /nfs/dbraw/zinc/49/11/74/609491174.db2.gz MQRNYSXXHIFYDH-UHFFFAOYSA-N -1 3 369.425 3.283 20 0 FGADHM CCn1c(SCc2ccc(-c3nnn[n-]3)cc2)nnc1-c1ccccc1 ZINC000825797005 609491849 /nfs/dbraw/zinc/49/18/49/609491849.db2.gz TUBWOUTWZORPAV-UHFFFAOYSA-N -1 3 363.450 3.437 20 0 FGADHM CCn1c(SCc2ccc(-c3nn[n-]n3)cc2)nnc1-c1ccccc1 ZINC000825797005 609491851 /nfs/dbraw/zinc/49/18/51/609491851.db2.gz TUBWOUTWZORPAV-UHFFFAOYSA-N -1 3 363.450 3.437 20 0 FGADHM COc1cc(Br)ccc1CCCn1ccc(-c2nnn[n-]2)c1 ZINC000826176780 609504482 /nfs/dbraw/zinc/50/44/82/609504482.db2.gz DCBRWGQRTNHCTK-UHFFFAOYSA-N -1 3 362.231 3.072 20 0 FGADHM COc1cc(Br)ccc1CCCn1ccc(-c2nn[n-]n2)c1 ZINC000826176780 609504484 /nfs/dbraw/zinc/50/44/84/609504484.db2.gz DCBRWGQRTNHCTK-UHFFFAOYSA-N -1 3 362.231 3.072 20 0 FGADHM CCCCC[C@@H](C)NC(=O)c1cc(C)n(-c2cccc(-c3nnn[n-]3)c2)n1 ZINC000825266906 609506314 /nfs/dbraw/zinc/50/63/14/609506314.db2.gz IJUFSTGMXQTSLV-CYBMUJFWSA-N -1 3 367.457 3.059 20 0 FGADHM CCCCC[C@@H](C)NC(=O)c1cc(C)n(-c2cccc(-c3nn[n-]n3)c2)n1 ZINC000825266906 609506315 /nfs/dbraw/zinc/50/63/15/609506315.db2.gz IJUFSTGMXQTSLV-CYBMUJFWSA-N -1 3 367.457 3.059 20 0 FGADHM Cc1c(Cl)cnc(N2CCC(c3ccc(O)cc3)CC2)c1-c1nnn[n-]1 ZINC000826237536 609526175 /nfs/dbraw/zinc/52/61/75/609526175.db2.gz CSHMHGGCIDTIOJ-UHFFFAOYSA-N -1 3 370.844 3.313 20 0 FGADHM Cc1c(Cl)cnc(N2CCC(c3ccc(O)cc3)CC2)c1-c1nn[n-]n1 ZINC000826237536 609526177 /nfs/dbraw/zinc/52/61/77/609526177.db2.gz CSHMHGGCIDTIOJ-UHFFFAOYSA-N -1 3 370.844 3.313 20 0 FGADHM Cc1c(Cl)cnc(N2C[C@@H](C)O[C@H](c3ccccc3)C2)c1-c1nnn[n-]1 ZINC000826237362 609539488 /nfs/dbraw/zinc/53/94/88/609539488.db2.gz XDLMMJTYGJDOCB-ABAIWWIYSA-N -1 3 370.844 3.190 20 0 FGADHM Cc1c(Cl)cnc(N2C[C@@H](C)O[C@H](c3ccccc3)C2)c1-c1nn[n-]n1 ZINC000826237362 609539489 /nfs/dbraw/zinc/53/94/89/609539489.db2.gz XDLMMJTYGJDOCB-ABAIWWIYSA-N -1 3 370.844 3.190 20 0 FGADHM Cc1ccc2c(c1C)OC[C@H]2Nc1ncc(Cl)c(C)c1-c1nnn[n-]1 ZINC000826294085 609546844 /nfs/dbraw/zinc/54/68/44/609546844.db2.gz ILJLYKDITSSFJR-CYBMUJFWSA-N -1 3 356.817 3.386 20 0 FGADHM Cc1ccc2c(c1C)OC[C@H]2Nc1ncc(Cl)c(C)c1-c1nn[n-]n1 ZINC000826294085 609546846 /nfs/dbraw/zinc/54/68/46/609546846.db2.gz ILJLYKDITSSFJR-CYBMUJFWSA-N -1 3 356.817 3.386 20 0 FGADHM CCc1c(C)sc(NC(=O)[C@H](OC)c2ccccc2)c1-c1nnn[n-]1 ZINC000736670306 609554526 /nfs/dbraw/zinc/55/45/26/609554526.db2.gz MMTASWRFSWQYDM-CQSZACIVSA-N -1 3 357.439 3.125 20 0 FGADHM CCc1c(C)sc(NC(=O)[C@H](OC)c2ccccc2)c1-c1nn[n-]n1 ZINC000736670306 609554529 /nfs/dbraw/zinc/55/45/29/609554529.db2.gz MMTASWRFSWQYDM-CQSZACIVSA-N -1 3 357.439 3.125 20 0 FGADHM Cc1ccnc(NC[C@H](O)c2ccc(C(C)(C)C)cc2)c1-c1nnn[n-]1 ZINC000826312550 609555656 /nfs/dbraw/zinc/55/56/56/609555656.db2.gz HUCVHXJWNONDLI-HNNXBMFYSA-N -1 3 352.442 3.013 20 0 FGADHM Cc1ccnc(NC[C@H](O)c2ccc(C(C)(C)C)cc2)c1-c1nn[n-]n1 ZINC000826312550 609555658 /nfs/dbraw/zinc/55/56/58/609555658.db2.gz HUCVHXJWNONDLI-HNNXBMFYSA-N -1 3 352.442 3.013 20 0 FGADHM CCC[C@H]1C[C@H](C(=O)Nc2sc(C)c(CC)c2-c2nnn[n-]2)CCO1 ZINC000825253061 609555823 /nfs/dbraw/zinc/55/58/23/609555823.db2.gz LFRYXNRGMWNBDG-NEPJUHHUSA-N -1 3 363.487 3.333 20 0 FGADHM CCC[C@H]1C[C@H](C(=O)Nc2sc(C)c(CC)c2-c2nn[n-]n2)CCO1 ZINC000825253061 609555825 /nfs/dbraw/zinc/55/58/25/609555825.db2.gz LFRYXNRGMWNBDG-NEPJUHHUSA-N -1 3 363.487 3.333 20 0 FGADHM COCC[C@@H](Cc1ccco1)Nc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000826154208 609588453 /nfs/dbraw/zinc/58/84/53/609588453.db2.gz KMWSNYRZLIXLFX-HNNXBMFYSA-N -1 3 364.409 3.068 20 0 FGADHM COCC[C@@H](Cc1ccco1)Nc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000826154208 609588454 /nfs/dbraw/zinc/58/84/54/609588454.db2.gz KMWSNYRZLIXLFX-HNNXBMFYSA-N -1 3 364.409 3.068 20 0 FGADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)c1ccc([C@@H]2CCCOC2)cc1 ZINC000826468282 609596824 /nfs/dbraw/zinc/59/68/24/609596824.db2.gz KDMFKNFLJVGDCE-OAHLLOKOSA-N -1 3 368.368 3.119 20 0 FGADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)c1ccc([C@@H]2CCCOC2)cc1 ZINC000826468282 609596826 /nfs/dbraw/zinc/59/68/26/609596826.db2.gz KDMFKNFLJVGDCE-OAHLLOKOSA-N -1 3 368.368 3.119 20 0 FGADHM O=C(OCc1ccc(Cl)cc1-c1nnn[n-]1)[C@@H]1CCc2ccccc21 ZINC000826465246 609616276 /nfs/dbraw/zinc/61/62/76/609616276.db2.gz FKTBBFMPBOJXFD-OAHLLOKOSA-N -1 3 354.797 3.293 20 0 FGADHM O=C(OCc1ccc(Cl)cc1-c1nn[n-]n1)[C@@H]1CCc2ccccc21 ZINC000826465246 609616277 /nfs/dbraw/zinc/61/62/77/609616277.db2.gz FKTBBFMPBOJXFD-OAHLLOKOSA-N -1 3 354.797 3.293 20 0 FGADHM C[C@H]1CCC[C@H](OCC(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)C1 ZINC000824926019 609618534 /nfs/dbraw/zinc/61/85/34/609618534.db2.gz IJLAVDGRZYYXPH-FZMZJTMJSA-N -1 3 364.833 3.159 20 0 FGADHM C[C@H]1CCC[C@H](OCC(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC000824926019 609618535 /nfs/dbraw/zinc/61/85/35/609618535.db2.gz IJLAVDGRZYYXPH-FZMZJTMJSA-N -1 3 364.833 3.159 20 0 FGADHM CCCCCCOCC(=O)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000825271914 609618639 /nfs/dbraw/zinc/61/86/39/609618639.db2.gz QIVBQOFTNYEWBQ-UHFFFAOYSA-N -1 3 352.822 3.160 20 0 FGADHM CCCCCCOCC(=O)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000825271914 609618640 /nfs/dbraw/zinc/61/86/40/609618640.db2.gz QIVBQOFTNYEWBQ-UHFFFAOYSA-N -1 3 352.822 3.160 20 0 FGADHM Cc1cc(SC[C@@H]2CCCO2)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000826272556 609641994 /nfs/dbraw/zinc/64/19/94/609641994.db2.gz PQRLNMZLJBKYNK-LBPRGKRZSA-N -1 3 366.450 3.247 20 0 FGADHM Cc1cc(SC[C@@H]2CCCO2)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC000826272556 609641995 /nfs/dbraw/zinc/64/19/95/609641995.db2.gz PQRLNMZLJBKYNK-LBPRGKRZSA-N -1 3 366.450 3.247 20 0 FGADHM Cc1cc(C(=O)COC(=O)c2ccc([O-])cc2)c(C)n1-c1nccs1 ZINC000005694320 695550640 /nfs/dbraw/zinc/55/06/40/695550640.db2.gz GKBZXTMLYOLATF-UHFFFAOYSA-N -1 3 356.403 3.296 20 0 FGADHM COc1ccc(C(=O)N[N-]C(=O)c2cc(Cl)ccc2Cl)cc1OC ZINC000006208322 695555475 /nfs/dbraw/zinc/55/54/75/695555475.db2.gz MVLZFWZCYNSULF-UHFFFAOYSA-N -1 3 369.204 3.085 20 0 FGADHM CCCn1c(S[C@@H](C)c2nc3sc(C)c(C)c3c(N)n2)n[n-]c1=O ZINC000010550782 695591215 /nfs/dbraw/zinc/59/12/15/695591215.db2.gz BWEXANIXQIHIRW-VIFPVBQESA-N -1 3 364.500 3.451 20 0 FGADHM Cc1cc(Br)ccc1NC=C1C(=O)[N-]C(=O)c2ccccc21 ZINC000016720697 695631412 /nfs/dbraw/zinc/63/14/12/695631412.db2.gz WVVUMXPGWJLWQC-NTEUORMPSA-N -1 3 357.207 3.481 20 0 FGADHM O=C(/C=C/c1ccc(Cl)cc1)N[N-]C(=O)c1ccc2ccccc2n1 ZINC000027682252 695696042 /nfs/dbraw/zinc/69/60/42/695696042.db2.gz MGIJJPLPBPSIQS-KPKJPENVSA-N -1 3 351.793 3.363 20 0 FGADHM CC[C@H]1CCCC[C@H]1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000027705841 695696310 /nfs/dbraw/zinc/69/63/10/695696310.db2.gz GICUUNMABBXZEB-XJKSGUPXSA-N -1 3 370.490 3.211 20 0 FGADHM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(OCC(C)C)cc2)cc1 ZINC000029046083 695708540 /nfs/dbraw/zinc/70/85/40/695708540.db2.gz VWRSIBGTJPNLGN-UHFFFAOYSA-N -1 3 362.451 3.481 20 0 FGADHM Cc1cccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)c1C ZINC000029066316 695708937 /nfs/dbraw/zinc/70/89/37/695708937.db2.gz PQTGJWOWQMRVIP-UHFFFAOYSA-N -1 3 362.426 3.136 20 0 FGADHM CN(C)Cc1ccccc1[N-]S(=O)(=O)c1ccccc1Br ZINC000040692813 695758512 /nfs/dbraw/zinc/75/85/12/695758512.db2.gz SWACMTDCJZOVQY-UHFFFAOYSA-N -1 3 369.284 3.312 20 0 FGADHM C[C@@H](NC(=O)N[N-]C(=O)c1ccccc1Br)c1ccccc1 ZINC000042860273 695786053 /nfs/dbraw/zinc/78/60/53/695786053.db2.gz PTMBKUXWCAKXGU-LLVKDONJSA-N -1 3 362.227 3.154 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2F)c2cccnc12 ZINC000047251791 695854668 /nfs/dbraw/zinc/85/46/68/695854668.db2.gz KDIDGQIKDVOFOY-UHFFFAOYSA-N -1 3 368.336 3.462 20 0 FGADHM C[C@H]1C[C@@H]1C[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000049239496 695893376 /nfs/dbraw/zinc/89/33/76/695893376.db2.gz UIXHENUEHXLMQD-JGVFFNPUSA-N -1 3 372.206 3.402 20 0 FGADHM Cc1sc2[n-]c([C@H](C)OC(=O)[C@H](C)OCC(C)C)nc(=O)c2c1C ZINC000051493199 695912336 /nfs/dbraw/zinc/91/23/36/695912336.db2.gz RNZXZCOUBVBBHN-QWRGUYRKSA-N -1 3 352.456 3.267 20 0 FGADHM O=C(CCc1cccc(Cl)c1)N[N-]C(=O)c1ccc2ccccc2n1 ZINC000053753976 695932951 /nfs/dbraw/zinc/93/29/51/695932951.db2.gz YIUXRAFDNZQHCB-UHFFFAOYSA-N -1 3 353.809 3.282 20 0 FGADHM O=C(Cc1ccc(Cl)cc1)N[N-]C(=O)c1cccnc1SC(F)F ZINC000070904536 695956569 /nfs/dbraw/zinc/95/65/69/695956569.db2.gz DDHAHNWYZSBWDG-UHFFFAOYSA-N -1 3 371.796 3.053 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]c2ccc(C)c(N3CCOC3=O)c2)ccc1F ZINC000072761010 695962617 /nfs/dbraw/zinc/96/26/17/695962617.db2.gz QWBRFLBNGWYUQD-UHFFFAOYSA-N -1 3 364.398 3.200 20 0 FGADHM O=C(Nc1nc(-c2ccccc2Cl)n[n-]1)[C@H]1Cc2ccccc2S1 ZINC000078354836 700277275 /nfs/dbraw/zinc/27/72/75/700277275.db2.gz RCEPARPFXLEPHV-CQSZACIVSA-N -1 3 356.838 3.203 20 0 FGADHM C[C@@H](OC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)c1ccc(F)cc1F ZINC000101707231 700470394 /nfs/dbraw/zinc/47/03/94/700470394.db2.gz JEBAFFYFVDIPEN-SECBINFHSA-N -1 3 373.352 3.393 20 0 FGADHM CCCCC[C@@H](C)NC(=O)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F ZINC000105594448 700502615 /nfs/dbraw/zinc/50/26/15/700502615.db2.gz DVOWRGZMLCSGLR-LLVKDONJSA-N -1 3 374.453 3.104 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(CNC(=O)OC(C)C)cc2)cc1 ZINC000116712590 700596639 /nfs/dbraw/zinc/59/66/39/700596639.db2.gz BUBHEBMISAIOIU-UHFFFAOYSA-N -1 3 362.451 3.430 20 0 FGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2c(F)cccc2F)ccc1F ZINC000120650295 700657965 /nfs/dbraw/zinc/65/79/65/700657965.db2.gz SFRVDPIERPJEHW-UHFFFAOYSA-N -1 3 372.368 3.043 20 0 FGADHM O=C(NCc1ccc([O-])c(Br)c1)Nc1cnc(C2CC2)nc1 ZINC000122514876 700691021 /nfs/dbraw/zinc/69/10/21/700691021.db2.gz XBNHGKWXOBSSJK-UHFFFAOYSA-N -1 3 363.215 3.144 20 0 FGADHM COCCC1(C[N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)CCCC1 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729407347 /nfs/dbraw/zinc/40/73/47/729407347.db2.gz KKRWTBXYXJJWHU-CYBMUJFWSA-N -1 3 355.829 3.425 20 0 FGADHM Clc1cccc(SCc2nnc(-c3ccco3)o2)c1-c1nnn[n-]1 ZINC000826353281 729407357 /nfs/dbraw/zinc/40/73/57/729407357.db2.gz JARCWFGJWIBVNQ-UHFFFAOYSA-N -1 3 360.786 3.455 20 0 FGADHM Clc1cccc(SCc2nnc(-c3ccco3)o2)c1-c1nn[n-]n1 ZINC000826353281 729407359 /nfs/dbraw/zinc/40/73/59/729407359.db2.gz JARCWFGJWIBVNQ-UHFFFAOYSA-N -1 3 360.786 3.455 20 0 FGADHM Cc1ncsc1CN[C@@H](c1cccc(-c2nnn[n-]2)c1)C(F)(F)F ZINC000826331470 729407412 /nfs/dbraw/zinc/40/74/12/729407412.db2.gz JVCNRCCJZBNVPY-LBPRGKRZSA-N -1 3 354.361 3.025 20 0 FGADHM Cc1ncsc1CN[C@@H](c1cccc(-c2nn[n-]n2)c1)C(F)(F)F ZINC000826331470 729407414 /nfs/dbraw/zinc/40/74/14/729407414.db2.gz JVCNRCCJZBNVPY-LBPRGKRZSA-N -1 3 354.361 3.025 20 0 FGADHM Clc1cc(-c2nnn[n-]2)ccc1OCc1cccc(-n2cccn2)c1 ZINC000826350997 729407507 /nfs/dbraw/zinc/40/75/07/729407507.db2.gz SRYZFTPPIKMBAU-UHFFFAOYSA-N -1 3 352.785 3.285 20 0 FGADHM Clc1cc(-c2nn[n-]n2)ccc1OCc1cccc(-n2cccn2)c1 ZINC000826350997 729407508 /nfs/dbraw/zinc/40/75/08/729407508.db2.gz SRYZFTPPIKMBAU-UHFFFAOYSA-N -1 3 352.785 3.285 20 0 FGADHM O=C(CSc1ccc(F)cc1)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000826421030 729407905 /nfs/dbraw/zinc/40/79/05/729407905.db2.gz NYKZUGTXFUXTGV-UHFFFAOYSA-N -1 3 363.805 3.390 20 0 FGADHM O=C(CSc1ccc(F)cc1)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000826421030 729407906 /nfs/dbraw/zinc/40/79/06/729407906.db2.gz NYKZUGTXFUXTGV-UHFFFAOYSA-N -1 3 363.805 3.390 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)C[C@@]3(C)CC3(Cl)Cl)nc21 ZINC000827142995 729425497 /nfs/dbraw/zinc/42/54/97/729425497.db2.gz XRGBVFIGNMBGOS-AWEZNQCLSA-N -1 3 356.209 3.262 20 0 FGADHM COc1ccc(Cl)cc1C(F)(F)C(=O)[N-][C@@H](c1ncccn1)C1CC1 ZINC000830141634 729539309 /nfs/dbraw/zinc/53/93/09/729539309.db2.gz PDQRUBFASDXCMX-CQSZACIVSA-N -1 3 367.783 3.498 20 0 FGADHM COC(=O)[C@@H](C)Cc1ccc(NC(=O)c2[n-]cnc2C(F)(F)F)cc1 ZINC000832186897 729695623 /nfs/dbraw/zinc/69/56/23/729695623.db2.gz 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729833496 /nfs/dbraw/zinc/83/34/96/729833496.db2.gz IZMNXOGLDGJYSI-UHFFFAOYSA-N -1 3 355.320 3.083 20 0 FGADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1cc(Br)ccc1C ZINC000836298937 729951027 /nfs/dbraw/zinc/95/10/27/729951027.db2.gz ZJBXBZURSDWJMK-UHFFFAOYSA-N -1 3 359.220 3.152 20 0 FGADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1cc(Br)ccc1C ZINC000836298937 729951028 /nfs/dbraw/zinc/95/10/28/729951028.db2.gz ZJBXBZURSDWJMK-UHFFFAOYSA-N -1 3 359.220 3.152 20 0 FGADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1ccc(F)cc1OCC1CC1 ZINC000836422057 729955068 /nfs/dbraw/zinc/95/50/68/729955068.db2.gz YODFEFGNHCNHBS-UHFFFAOYSA-N -1 3 354.378 3.009 20 0 FGADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1ccc(F)cc1OCC1CC1 ZINC000836422057 729955070 /nfs/dbraw/zinc/95/50/70/729955070.db2.gz YODFEFGNHCNHBS-UHFFFAOYSA-N -1 3 354.378 3.009 20 0 FGADHM CC(C)[C@@H](CO)O[N-]C(=O)CCCOc1cccc(Cl)c1Cl ZINC000836897570 729973458 /nfs/dbraw/zinc/97/34/58/729973458.db2.gz HBQNQMFEFFDWEM-CYBMUJFWSA-N -1 3 350.242 3.217 20 0 FGADHM O=C(COc1c(Cl)cccc1Cl)OCc1cc(=O)[n-]c(C2CC2)n1 ZINC000837350319 730020354 /nfs/dbraw/zinc/02/03/54/730020354.db2.gz WKAIBISQOCZTJQ-UHFFFAOYSA-N -1 3 369.204 3.489 20 0 FGADHM O=C(OCc1cc(=O)[n-]c(C2CC2)n1)C(F)(F)c1c(F)cccc1F ZINC000837599099 730045828 /nfs/dbraw/zinc/04/58/28/730045828.db2.gz CPNMBHRRDQFSQS-UHFFFAOYSA-N -1 3 356.275 3.173 20 0 FGADHM CC(C)c1noc(COC(=O)c2cc(Br)c(F)cc2[O-])n1 ZINC000837781360 730063250 /nfs/dbraw/zinc/06/32/50/730063250.db2.gz XLKZJKGEXGPDOH-UHFFFAOYSA-N -1 3 359.151 3.157 20 0 FGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@@]2(C)CC=CCC2)ccc1F ZINC000838315385 730109427 /nfs/dbraw/zinc/10/94/27/730109427.db2.gz UEKMPSCXGVACSK-SFHVURJKSA-N -1 3 368.474 3.131 20 0 FGADHM Cc1sc2[n-]c([C@H](C)OC(=O)[C@@H](C)c3cncnc3)nc(=O)c2c1C ZINC000838383698 730115313 /nfs/dbraw/zinc/11/53/13/730115313.db2.gz PAESUIBIPXSRKH-UWVGGRQHSA-N -1 3 358.423 3.212 20 0 FGADHM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccnc1F ZINC000842825527 730547664 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COc1cc(N[C@H]2CCCN(C(=O)c3ccc(C)cc3[O-])C2)cc(OC)c1 ZINC000121302246 494691648 /nfs/dbraw/zinc/69/16/48/494691648.db2.gz NKZWPMKFSCJHKL-HNNXBMFYSA-N -1 3 370.449 3.435 20 0 FGADHM CCc1cnc(NC(=O)c2c[n-]nc2-c2ccc3c(c2)OCCO3)s1 ZINC000075182026 494702178 /nfs/dbraw/zinc/70/21/78/494702178.db2.gz RHHWRHMTHKPNQJ-UHFFFAOYSA-N -1 3 356.407 3.119 20 0 FGADHM Cc1cccc(C(=O)N2CCC(C(=O)NCc3ccc(F)cc3)CC2)c1[O-] ZINC000121340037 494710293 /nfs/dbraw/zinc/71/02/93/494710293.db2.gz BFIVDMWNODVOKJ-UHFFFAOYSA-N -1 3 370.424 3.008 20 0 FGADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)N1CCC[C@@H](C(C)(C)C)CC1 ZINC000116221737 494736600 /nfs/dbraw/zinc/73/66/00/494736600.db2.gz CMEWTHNAJXIRMP-CQSZACIVSA-N -1 3 370.497 3.427 20 0 FGADHM C[C@@H]1CCN(C(=O)c2ccc([N-]S(C)(=O)=O)cc2)[C@@H](c2ccco2)C1 ZINC000075390626 494754983 /nfs/dbraw/zinc/75/49/83/494754983.db2.gz XCYOSAOLVBUBRG-CZUORRHYSA-N -1 3 362.451 3.265 20 0 FGADHM COc1ccc(CC(=O)Nc2cc(Br)ccc2[O-])cc1OC ZINC000126451780 494757093 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CC(=O)c1cccc(NC(=O)c2cccc(OCc3noc(C)n3)c2)c1[O-] ZINC000580378675 505744476 /nfs/dbraw/zinc/74/44/76/505744476.db2.gz YAALQJMIVDVTKW-UHFFFAOYSA-N -1 3 367.361 3.118 20 0 FGADHM CCc1nc(CN(C)Cc2nc3c4ccccc4oc3c(=O)[n-]2)cs1 ZINC000109100441 494832042 /nfs/dbraw/zinc/83/20/42/494832042.db2.gz SLVWVSJNJBCYIW-UHFFFAOYSA-N -1 3 354.435 3.320 20 0 FGADHM Cc1ccc([C@H](C)CNC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])cc1 ZINC000132178912 494835102 /nfs/dbraw/zinc/83/51/02/494835102.db2.gz YVYIHQUXXRQLTQ-APWZRJJASA-N -1 3 366.461 3.225 20 0 FGADHM O=C(NCc1ccnc(OCc2ccccc2)c1)c1ccc(O)cc1[O-] ZINC000121700500 494841354 /nfs/dbraw/zinc/84/13/54/494841354.db2.gz RECPTZSDJKNART-UHFFFAOYSA-N -1 3 350.374 3.002 20 0 FGADHM CN(C[C@@H]1COc2ccccc2O1)C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000109190996 494843452 /nfs/dbraw/zinc/84/34/52/494843452.db2.gz RSXMQECMXLTKSC-MRXNPFEDSA-N -1 3 353.418 3.183 20 0 FGADHM COc1ccc([O-])c(C(=O)N[C@H](C)c2cccc(N3CCCC3=O)c2)c1 ZINC000126840958 494847643 /nfs/dbraw/zinc/84/76/43/494847643.db2.gz IMIVKSANCLVLAO-CYBMUJFWSA-N -1 3 354.406 3.019 20 0 FGADHM CCCOc1cccc(NC(=O)CCNC(=O)c2ccc(C)cc2[O-])c1 ZINC000116774113 494851745 /nfs/dbraw/zinc/85/17/45/494851745.db2.gz IJIWWCYPPVUGJZ-UHFFFAOYSA-N -1 3 356.422 3.248 20 0 FGADHM Cc1nc(C)c(CCC(=O)N(C)c2c(Cl)cccc2Cl)c(=O)[n-]1 ZINC000093262440 494852930 /nfs/dbraw/zinc/85/29/30/494852930.db2.gz XZJYOYAJAMPGAU-UHFFFAOYSA-N -1 3 354.237 3.289 20 0 FGADHM COCCc1ccc(S(=O)(=O)[N-]c2c3c(ccc2Cl)OCC3)cc1 ZINC000580385750 505746216 /nfs/dbraw/zinc/74/62/16/505746216.db2.gz QIPJEQAPVMIBPE-UHFFFAOYSA-N -1 3 367.854 3.265 20 0 FGADHM Cc1nc(C2(NCc3cc([O-])ccc3Br)CCCC2)no1 ZINC000126919239 494862318 /nfs/dbraw/zinc/86/23/18/494862318.db2.gz ABPVAOJAJGALFN-UHFFFAOYSA-N -1 3 352.232 3.405 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1ccc(C(C)(C)C)s1)C(=O)N1CCCC[C@@H]1C ZINC000121837957 494871470 /nfs/dbraw/zinc/87/14/70/494871470.db2.gz QJONHPYXCDQCAE-STQMWFEESA-N -1 3 372.556 3.113 20 0 FGADHM Cc1cc(Cl)cc(NC(=O)CCn2cnc3ccccc3c2=O)c1[O-] ZINC000116980683 494879313 /nfs/dbraw/zinc/87/93/13/494879313.db2.gz ANJAQJGEPIRRPE-UHFFFAOYSA-N -1 3 357.797 3.093 20 0 FGADHM CCN(C(=O)[C@@H](C)Sc1n[n-]c(-c2ccccn2)n1)c1ccccc1 ZINC000117112577 494891705 /nfs/dbraw/zinc/89/17/05/494891705.db2.gz JNSQPSQJNRCZFI-CYBMUJFWSA-N -1 3 353.451 3.400 20 0 FGADHM CCN(Cc1ccccc1)C(=O)CSc1n[n-]c(-c2ccccn2)n1 ZINC000117114218 494892104 /nfs/dbraw/zinc/89/21/04/494892104.db2.gz UWAFGPFYADKEQV-UHFFFAOYSA-N -1 3 353.451 3.008 20 0 FGADHM CC(=O)c1ccccc1NC(=O)[C@H](C)Sc1n[n-]c(-c2ccccn2)n1 ZINC000117114174 494892495 /nfs/dbraw/zinc/89/24/95/494892495.db2.gz XFCAJIOXKWMQTB-LBPRGKRZSA-N -1 3 367.434 3.189 20 0 FGADHM CC(=O)c1ccc(NC(=O)[C@@H](C)Sc2n[n-]c(-c3ccccn3)n2)cc1 ZINC000117114886 494893040 /nfs/dbraw/zinc/89/30/40/494893040.db2.gz MFHJVEQRALUCKP-GFCCVEGCSA-N -1 3 367.434 3.189 20 0 FGADHM C[C@@H](Sc1n[n-]c(-c2ccccn2)n1)C(=O)NCCC1=CCCCC1 ZINC000117116518 494893305 /nfs/dbraw/zinc/89/33/05/494893305.db2.gz MEVSPAKLKHGTNS-CYBMUJFWSA-N -1 3 357.483 3.354 20 0 FGADHM COc1cccc(C(=O)NCc2cccc(COCC(F)(F)F)c2)c1[O-] ZINC000132601316 494897821 /nfs/dbraw/zinc/89/78/21/494897821.db2.gz KZVUEJOUQPEBDY-UHFFFAOYSA-N -1 3 369.339 3.410 20 0 FGADHM Cc1csc(C[N-]S(=O)(=O)c2ccc(C)c(C(F)(F)F)c2)n1 ZINC000109819155 494921715 /nfs/dbraw/zinc/92/17/15/494921715.db2.gz UWUKGLVBFLQSKA-UHFFFAOYSA-N -1 3 350.387 3.257 20 0 FGADHM CCc1ccc([O-])c(C(=O)N2CCC(NC(=O)C3CCCCC3)CC2)c1 ZINC000109825916 494922813 /nfs/dbraw/zinc/92/28/13/494922813.db2.gz LHFLMNJOUJVGTG-UHFFFAOYSA-N -1 3 358.482 3.256 20 0 FGADHM CCCN(CC)C(=O)c1ccc(C(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000132953962 494947499 /nfs/dbraw/zinc/94/74/99/494947499.db2.gz YKVMOJUOVRKLMX-UHFFFAOYSA-N -1 3 358.413 3.333 20 0 FGADHM Cc1cnn(-c2ccc(S(=O)(=O)[N-]c3ccc4c(c3)COC4)cc2F)c1 ZINC000132954363 494947634 /nfs/dbraw/zinc/94/76/34/494947634.db2.gz DQACWBVAENAKMK-UHFFFAOYSA-N -1 3 373.409 3.151 20 0 FGADHM CCc1cccc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccccc2C)c1[O-] ZINC000094089846 494947740 /nfs/dbraw/zinc/94/77/40/494947740.db2.gz LHDQBGDAWBOBST-QGZVFWFLSA-N -1 3 370.474 3.417 20 0 FGADHM CCOC(=O)c1ccsc1[N-]C(=O)C(=O)N(CC(C)C)CC(C)(C)C ZINC000127468130 494949191 /nfs/dbraw/zinc/94/91/91/494949191.db2.gz NXMWKTAQMAMDDJ-UHFFFAOYSA-N -1 3 368.499 3.394 20 0 FGADHM O=S(=O)(C[C@@H]1CCCCO1)[N-]c1cccc(OCc2cscn2)c1 ZINC000110097736 494949424 /nfs/dbraw/zinc/94/94/24/494949424.db2.gz NBGICQFHRLGZJD-INIZCTEOSA-N -1 3 368.480 3.033 20 0 FGADHM COc1ccccc1-c1nc(NC(=O)C[C@H]2CCOc3ccccc32)n[n-]1 ZINC000117764097 494953689 /nfs/dbraw/zinc/95/36/89/494953689.db2.gz BYUQPZWYVRUHPK-CYBMUJFWSA-N -1 3 364.405 3.375 20 0 FGADHM CN(C)S(=O)(=O)c1ccsc1C(=O)[N-]c1ccc(Cl)cc1F ZINC000110161018 494954475 /nfs/dbraw/zinc/95/44/75/494954475.db2.gz ALDMPPWLILXQHX-UHFFFAOYSA-N -1 3 362.835 3.043 20 0 FGADHM C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)c1ccccc1[O-] ZINC000110241146 494960697 /nfs/dbraw/zinc/96/06/97/494960697.db2.gz DKULBXBJRYVGLE-OAHLLOKOSA-N -1 3 367.449 3.140 20 0 FGADHM CC[C@@H](C)n1ncc2c1nc(C)cc2C(=O)NCc1ccc([O-])c(F)c1 ZINC000133108068 494970464 /nfs/dbraw/zinc/97/04/64/494970464.db2.gz AOSMUAFJLLZKIF-GFCCVEGCSA-N -1 3 356.401 3.485 20 0 FGADHM O=C(Nc1ccc(OCCO)cc1)c1c[n-]nc1-c1ccc(Cl)cc1 ZINC000133187815 494982339 /nfs/dbraw/zinc/98/23/39/494982339.db2.gz VMQNAIACBNUIQA-UHFFFAOYSA-N -1 3 357.797 3.354 20 0 FGADHM Cc1ccc(C(=O)NCC2CCN(C(=O)c3ccccc3)CC2)c([O-])c1C ZINC000133270427 494992862 /nfs/dbraw/zinc/99/28/62/494992862.db2.gz YTVASAKAJNTEDV-UHFFFAOYSA-N -1 3 366.461 3.291 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCSC[C@@H]2c2ccccc2)c1 ZINC000122564596 494994715 /nfs/dbraw/zinc/99/47/15/494994715.db2.gz LXJNVILDOOWOIO-QGZVFWFLSA-N -1 3 356.447 3.281 20 0 FGADHM Cc1nc(C[N-]S(=O)(=O)c2ccccn2)oc1-c1ccc(Cl)cc1 ZINC000133465594 495017328 /nfs/dbraw/zinc/01/73/28/495017328.db2.gz MVDOOQINZKEAFC-UHFFFAOYSA-N -1 3 363.826 3.177 20 0 FGADHM COc1ccc(-c2nnc(CNC(=O)c3ccc(C(C)C)cc3[O-])[nH]2)cc1 ZINC000110994379 495029071 /nfs/dbraw/zinc/02/90/71/495029071.db2.gz YRGISGCQQILSPE-UHFFFAOYSA-N -1 3 366.421 3.239 20 0 FGADHM O=C(Nc1cc(Cl)ccc1[O-])[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1 ZINC000111211242 495048915 /nfs/dbraw/zinc/04/89/15/495048915.db2.gz QZQBATWIUMNERB-SECBINFHSA-N -1 3 366.751 3.315 20 0 FGADHM Cc1cc([N-]C(=O)[C@H](C)Nc2ccccc2OC[C@H]2CCCCO2)on1 ZINC000122907241 495050455 /nfs/dbraw/zinc/05/04/55/495050455.db2.gz IKPMUTXCIURVKE-LSDHHAIUSA-N -1 3 359.426 3.370 20 0 FGADHM Cc1ccc([N-]S(=O)(=O)c2cc(F)c(C)cc2F)c(CN(C)C)c1 ZINC000122939194 495056715 /nfs/dbraw/zinc/05/67/15/495056715.db2.gz SFBXNEGGVNQEDH-UHFFFAOYSA-N -1 3 354.422 3.444 20 0 FGADHM O=C(NCCNC(=O)c1ccc2c(c1)Cc1ccccc1-2)c1ccc([O-])cc1 ZINC000128186642 495058000 /nfs/dbraw/zinc/05/80/00/495058000.db2.gz NVGILJOZYHQSDN-UHFFFAOYSA-N -1 3 372.424 3.123 20 0 FGADHM CCc1cccc(C(=O)N2CCC[C@@H](c3nnc4ccccn43)C2)c1[O-] ZINC000133805910 495064491 /nfs/dbraw/zinc/06/44/91/495064491.db2.gz QSMRCQQOWHTINV-OAHLLOKOSA-N -1 3 350.422 3.017 20 0 FGADHM Cc1ccc(NC(=O)c2ccc3c(c2)[nH]c(=O)n3CC(F)(F)F)c([O-])c1 ZINC000133849104 495070193 /nfs/dbraw/zinc/07/01/93/495070193.db2.gz DDZWDYWOPJHQHV-UHFFFAOYSA-N -1 3 365.311 3.158 20 0 FGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C[C@@H]2CC[C@H](C)C2)cc1OC ZINC000123043560 495072508 /nfs/dbraw/zinc/07/25/08/495072508.db2.gz RSSJCTXKOQYURH-QWHCGFSZSA-N -1 3 354.472 3.222 20 0 FGADHM Cc1csc(N2CCN(Cc3cc([O-])ccc3Br)CC2)n1 ZINC000133874003 495073445 /nfs/dbraw/zinc/07/34/45/495073445.db2.gz MMMYSMQSRQUFAE-UHFFFAOYSA-N -1 3 368.300 3.242 20 0 FGADHM COc1ccc(C(=O)Nc2ccccc2CN2CCSCC2)c([O-])c1 ZINC000128334327 495081036 /nfs/dbraw/zinc/08/10/36/495081036.db2.gz OCPNGVTWIHFENI-UHFFFAOYSA-N -1 3 358.463 3.202 20 0 FGADHM CCO[C@H]1C[C@@H](N(C)C(=O)c2cc(NC(C)=O)ccc2[O-])C1(CC)CC ZINC000123136988 495086213 /nfs/dbraw/zinc/08/62/13/495086213.db2.gz DIHBZAGBZLCVLS-MSOLQXFVSA-N -1 3 362.470 3.406 20 0 FGADHM C[C@@H](C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1)N1[C@H](C)CC[C@H]1C ZINC000101633112 495087864 /nfs/dbraw/zinc/08/78/64/495087864.db2.gz AXZGWPDEANJVPL-OAGGEKHMSA-N -1 3 358.482 3.075 20 0 FGADHM CN(Cc1nc2ccsc2c(=O)[n-]1)C(=O)CCCSC(C)(C)C ZINC000128396769 495090520 /nfs/dbraw/zinc/09/05/20/495090520.db2.gz REGZGQNJZKMXNX-UHFFFAOYSA-N -1 3 353.513 3.255 20 0 FGADHM COc1ccc([O-])c(C(=O)NCCc2coc(-c3ccc(F)cc3)n2)c1 ZINC000101682748 495091166 /nfs/dbraw/zinc/09/11/66/495091166.db2.gz JGAQMEDWDUPBCC-UHFFFAOYSA-N -1 3 356.353 3.167 20 0 FGADHM CC(C)Sc1ccccc1NC(=O)C(=O)NCc1ccc([O-])c(F)c1 ZINC000119098033 495091560 /nfs/dbraw/zinc/09/15/60/495091560.db2.gz VCKWSTNWZISOIX-UHFFFAOYSA-N -1 3 362.426 3.287 20 0 FGADHM Cc1ccc(C(=O)N2CCC[C@@H](C3N=NC(=S)N3C(C)C)C2)c([O-])c1 ZINC000111657768 495092776 /nfs/dbraw/zinc/09/27/76/495092776.db2.gz ZGHUTBJYLKCPNK-CYBMUJFWSA-N -1 3 360.483 3.182 20 0 FGADHM Cc1nc(C)c(CCC(=O)Nc2ccc(Nc3ccccc3)nc2)c(=O)[n-]1 ZINC000128525970 495111003 /nfs/dbraw/zinc/11/10/03/495111003.db2.gz SWJBFMBQUNCCAL-UHFFFAOYSA-N -1 3 363.421 3.097 20 0 FGADHM Cc1cccc(C(=O)N[C@@H](C)C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)c1 ZINC000134223830 495124064 /nfs/dbraw/zinc/12/40/64/495124064.db2.gz IANSOLOPSFTVLS-NSHDSACASA-N -1 3 366.339 3.476 20 0 FGADHM O=c1[n-]c(CN2CC[C@@H](Oc3ccccc3Cl)C2)nc2ccsc21 ZINC000128731119 495142337 /nfs/dbraw/zinc/14/23/37/495142337.db2.gz KXNVOBJGNFRCIB-LLVKDONJSA-N -1 3 361.854 3.291 20 0 FGADHM CCCN(C(=O)c1ccc(OC)cc1[O-])[C@H](C)C(=O)Nc1ccccc1 ZINC000102608515 495145786 /nfs/dbraw/zinc/14/57/86/495145786.db2.gz AFNQQPHKCUNPEB-CQSZACIVSA-N -1 3 356.422 3.280 20 0 FGADHM CC(=O)N1CCCc2ccc(S(=O)(=O)[N-]c3cc(F)ccc3F)cc21 ZINC000134443630 495150237 /nfs/dbraw/zinc/15/02/37/495150237.db2.gz XLTAOIYMJJOUQO-UHFFFAOYSA-N -1 3 366.389 3.065 20 0 FGADHM CC[C@@H]([N-]S(=O)(=O)c1ccccc1Br)c1c(C)noc1C ZINC000119367419 495152234 /nfs/dbraw/zinc/15/22/34/495152234.db2.gz BVDIZMVOARVPTE-GFCCVEGCSA-N -1 3 373.272 3.484 20 0 FGADHM Cc1ccc([O-])c(C(=O)N[C@H](c2nc(-c3cccnc3)no2)C(C)C)c1 ZINC000102726567 495157260 /nfs/dbraw/zinc/15/72/60/495157260.db2.gz CCBDUCSXYNSWQC-INIZCTEOSA-N -1 3 352.394 3.273 20 0 FGADHM Cc1ncc(C=CC(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)s1 ZINC000112239907 495158789 /nfs/dbraw/zinc/15/87/89/495158789.db2.gz RTFYXVQLQPHTSE-BQYQJAHWSA-N -1 3 352.419 3.162 20 0 FGADHM CC(C)[C@@H](C(=O)Nc1ccc([O-])cc1F)S(=O)(=O)C1CCCCC1 ZINC000119400027 495159513 /nfs/dbraw/zinc/15/95/13/495159513.db2.gz SYBNBYPXZJADLK-INIZCTEOSA-N -1 3 357.447 3.242 20 0 FGADHM CCOC(=O)c1ccsc1[N-]C(=O)C(=O)N(C)[C@@H]1CCCC[C@H]1CC ZINC000128903357 495166046 /nfs/dbraw/zinc/16/60/46/495166046.db2.gz VMXYGFILBHQECT-TZMCWYRMSA-N -1 3 366.483 3.291 20 0 FGADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)Nc1nccc2sccc21 ZINC000128941809 495171995 /nfs/dbraw/zinc/17/19/95/495171995.db2.gz WFSMEDSTSVODQB-UHFFFAOYSA-N -1 3 365.418 3.001 20 0 FGADHM O=C(CCSCc1nc2ccccc2c(=O)[nH]1)Nc1ccc([O-])cc1F ZINC000119465283 495172513 /nfs/dbraw/zinc/17/25/13/495172513.db2.gz RZZNOSIGQOVFAZ-UHFFFAOYSA-N -1 3 373.409 3.030 20 0 FGADHM CC(=O)Nc1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)C(F)(F)F)cc1 ZINC000119541663 495186840 /nfs/dbraw/zinc/18/68/40/495186840.db2.gz SLGFJQRLTCCDCR-HNNXBMFYSA-N -1 3 372.368 3.227 20 0 FGADHM Cc1ccc(-n2cc(C(=O)[N-]N3CCCCC3=O)c(C(C)(C)C)n2)cc1 ZINC000129104995 495196494 /nfs/dbraw/zinc/19/64/94/495196494.db2.gz JKBFAFUVKKKYLR-UHFFFAOYSA-N -1 3 354.454 3.136 20 0 FGADHM Cc1cccc(C)c1NC(=O)C[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000103152337 495199575 /nfs/dbraw/zinc/19/95/75/495199575.db2.gz DYBBCYFZLPEWPH-UHFFFAOYSA-N -1 3 370.833 3.013 20 0 FGADHM Cn1ccnc1-c1cc(NC(=O)c2ccc3ccc(Cl)cc3n2)n[n-]1 ZINC000119610560 495201303 /nfs/dbraw/zinc/20/13/03/495201303.db2.gz OQNHXDJTJRSWSI-UHFFFAOYSA-N -1 3 352.785 3.264 20 0 FGADHM Cn1ccnc1-c1cc(NC(=O)c2ccc3ccc(Cl)cc3n2)[n-]n1 ZINC000119610560 495201305 /nfs/dbraw/zinc/20/13/05/495201305.db2.gz OQNHXDJTJRSWSI-UHFFFAOYSA-N -1 3 352.785 3.264 20 0 FGADHM O=S(=O)([N-][C@@H]1CCC[C@H]2OCC[C@@H]21)c1ccc(Cl)c(Cl)c1 ZINC000129144089 495202136 /nfs/dbraw/zinc/20/21/36/495202136.db2.gz WGGWRNPCFDMMPB-LERXQTSPSA-N -1 3 350.267 3.229 20 0 FGADHM C[C@@H]1CCN(C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)C[C@H]1n1ccnc1 ZINC000123945062 495210364 /nfs/dbraw/zinc/21/03/64/495210364.db2.gz RCOZPIJNWPOEJL-CZUORRHYSA-N -1 3 355.438 3.026 20 0 FGADHM Cc1ccc(-c2nc(CC(=O)Nc3cc(-c4nccn4C)[n-]n3)cs2)o1 ZINC000119660377 495212401 /nfs/dbraw/zinc/21/24/01/495212401.db2.gz VWUKJSXSHXNAKU-UHFFFAOYSA-N -1 3 368.422 3.016 20 0 FGADHM Cc1ccc(-c2nc(CC(=O)Nc3cc(-c4nccn4C)n[n-]3)cs2)o1 ZINC000119660377 495212405 /nfs/dbraw/zinc/21/24/05/495212405.db2.gz VWUKJSXSHXNAKU-UHFFFAOYSA-N -1 3 368.422 3.016 20 0 FGADHM O=C(Nc1nnc(-c2ccccn2)[n-]1)c1cccc(Oc2ccncc2)c1 ZINC000112631040 495215123 /nfs/dbraw/zinc/21/51/23/495215123.db2.gz REFMFFQBBJDEBV-UHFFFAOYSA-N -1 3 358.361 3.306 20 0 FGADHM O=C(Nc1nc(-c2ccccn2)n[n-]1)c1cccc(Oc2ccncc2)c1 ZINC000112631040 495215128 /nfs/dbraw/zinc/21/51/28/495215128.db2.gz REFMFFQBBJDEBV-UHFFFAOYSA-N -1 3 358.361 3.306 20 0 FGADHM O=C(Nc1n[n-]c(-c2ccccn2)n1)c1cccc(Oc2ccncc2)c1 ZINC000112631040 495215129 /nfs/dbraw/zinc/21/51/29/495215129.db2.gz REFMFFQBBJDEBV-UHFFFAOYSA-N -1 3 358.361 3.306 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]c2cccn(Cc3ccccc3)c2=O)c(F)c1 ZINC000123985712 495217028 /nfs/dbraw/zinc/21/70/28/495217028.db2.gz IMAGRAQAIGQFSU-UHFFFAOYSA-N -1 3 372.421 3.145 20 0 FGADHM Cn1ccnc1-c1cc(NC(=O)CSCc2cccc(Cl)c2)n[n-]1 ZINC000119686081 495217961 /nfs/dbraw/zinc/21/79/61/495217961.db2.gz GVZKASROPICIFK-UHFFFAOYSA-N -1 3 361.858 3.336 20 0 FGADHM Cn1ccnc1-c1cc(NC(=O)CSCc2cccc(Cl)c2)[n-]n1 ZINC000119686081 495217963 /nfs/dbraw/zinc/21/79/63/495217963.db2.gz GVZKASROPICIFK-UHFFFAOYSA-N -1 3 361.858 3.336 20 0 FGADHM Cn1ccnc1-c1cc(NC(=O)[C@@H]2C[C@H]2c2ccccc2OC(F)F)n[n-]1 ZINC000119711833 495223962 /nfs/dbraw/zinc/22/39/62/495223962.db2.gz WLGIALKTJVSFQM-NWDGAFQWSA-N -1 3 373.363 3.154 20 0 FGADHM Cn1ccnc1-c1cc(NC(=O)[C@@H]2C[C@H]2c2ccccc2OC(F)F)[n-]n1 ZINC000119711833 495223964 /nfs/dbraw/zinc/22/39/64/495223964.db2.gz WLGIALKTJVSFQM-NWDGAFQWSA-N -1 3 373.363 3.154 20 0 FGADHM O=C1CCc2cc([N-]S(=O)(=O)CCCOCc3ccccc3)ccc21 ZINC000574415497 505768419 /nfs/dbraw/zinc/76/84/19/505768419.db2.gz YMSRHVQSVHNGMM-UHFFFAOYSA-N -1 3 359.447 3.164 20 0 FGADHM CCC[C@@H](NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)c1ccc(F)cc1F ZINC000124054243 495227338 /nfs/dbraw/zinc/22/73/38/495227338.db2.gz QENRYQGKJPMDQR-MRXNPFEDSA-N -1 3 358.344 3.120 20 0 FGADHM O=S(=O)([N-][C@@H]1CCC[C@H]2OCC[C@@H]21)c1c(Cl)cccc1Cl ZINC000129369819 495235398 /nfs/dbraw/zinc/23/53/98/495235398.db2.gz ZMOUTFLBKLNHNH-OASPWFOLSA-N -1 3 350.267 3.229 20 0 FGADHM O=C(c1ccccc1[O-])N1CCC[C@H]1C(=O)N1CC[C@H](c2ccccc2)C1 ZINC000124184790 495247061 /nfs/dbraw/zinc/24/70/61/495247061.db2.gz FGFMHASNOSWDHJ-HKUYNNGSSA-N -1 3 364.445 3.013 20 0 FGADHM CCOCCOc1ccc(S(=O)(=O)[N-]c2ccc3[nH]ccc3c2)cc1 ZINC000112850791 495247737 /nfs/dbraw/zinc/24/77/37/495247737.db2.gz YVCXICCDSWKRPQ-UHFFFAOYSA-N -1 3 360.435 3.384 20 0 FGADHM CCC(CC)(CCO)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000124244130 495256912 /nfs/dbraw/zinc/25/69/12/495256912.db2.gz MZQGCFYHPVIQHJ-UHFFFAOYSA-N -1 3 354.299 3.461 20 0 FGADHM Cc1ccc(C)c(C(=O)CCC(=O)Nc2cc(-c3nccn3C)[n-]n2)c1 ZINC000119888894 495262819 /nfs/dbraw/zinc/26/28/19/495262819.db2.gz QGLOHPBQKZHLIX-UHFFFAOYSA-N -1 3 351.410 3.029 20 0 FGADHM Cc1ccc(C)c(C(=O)CCC(=O)Nc2cc(-c3nccn3C)n[n-]2)c1 ZINC000119888894 495262822 /nfs/dbraw/zinc/26/28/22/495262822.db2.gz QGLOHPBQKZHLIX-UHFFFAOYSA-N -1 3 351.410 3.029 20 0 FGADHM Cn1ccnc1-c1cc(NC(=O)c2cc(C3CC3)nc3ccccc32)n[n-]1 ZINC000119896948 495265125 /nfs/dbraw/zinc/26/51/25/495265125.db2.gz UWYPBOJARPADQT-UHFFFAOYSA-N -1 3 358.405 3.488 20 0 FGADHM Cn1ccnc1-c1cc(NC(=O)c2cc(C3CC3)nc3ccccc32)[n-]n1 ZINC000119896948 495265126 /nfs/dbraw/zinc/26/51/26/495265126.db2.gz UWYPBOJARPADQT-UHFFFAOYSA-N -1 3 358.405 3.488 20 0 FGADHM CCOC(=O)c1ccc(NC(=O)Cc2c[nH]c3cc(F)ccc23)c([O-])c1 ZINC000129605511 495269392 /nfs/dbraw/zinc/26/93/92/495269392.db2.gz 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495279779 /nfs/dbraw/zinc/27/97/79/495279779.db2.gz YPLCPHNGZKTXBU-UHFFFAOYSA-N -1 3 353.313 3.040 20 0 FGADHM Cc1ccc(-c2cncc(C(=O)NCc3ccc(-c4nnn[n-]4)cc3)c2)cc1 ZINC000135425889 495290949 /nfs/dbraw/zinc/29/09/49/495290949.db2.gz AQBBKXBCDZZCCF-UHFFFAOYSA-N -1 3 370.416 3.167 20 0 FGADHM Cc1ccc(-c2cncc(C(=O)NCc3ccc(-c4nn[n-]n4)cc3)c2)cc1 ZINC000135425889 495290952 /nfs/dbraw/zinc/29/09/52/495290952.db2.gz AQBBKXBCDZZCCF-UHFFFAOYSA-N -1 3 370.416 3.167 20 0 FGADHM C[C@]1(c2ccccc2)CCCN(C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)C1 ZINC000113366668 495299721 /nfs/dbraw/zinc/29/97/21/495299721.db2.gz QSTCYCLTWYYDAR-NRFANRHFSA-N -1 3 363.417 3.156 20 0 FGADHM CCCN(CCc1cccc(F)c1)C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000113366762 495299942 /nfs/dbraw/zinc/29/99/42/495299942.db2.gz YGZCUHBALVMBEM-UHFFFAOYSA-N -1 3 369.396 3.196 20 0 FGADHM CC(C)CCS(=O)(=O)[N-][C@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000104735777 495302021 /nfs/dbraw/zinc/30/20/21/495302021.db2.gz PHDRZCAUFFHPLZ-SFHVURJKSA-N -1 3 360.479 3.332 20 0 FGADHM O=c1nc(CN2CCOCC23CCC3)[n-]c2scc(-c3ccccc3)c21 ZINC000135518969 495306052 /nfs/dbraw/zinc/30/60/52/495306052.db2.gz GCRNDHWFVVGGOY-UHFFFAOYSA-N -1 3 367.474 3.407 20 0 FGADHM O=C(c1ccc2c(c1)C(=O)[N-]C2=O)N1CCC[C@@H]1c1cccc(Cl)c1 ZINC000104854833 495310550 /nfs/dbraw/zinc/31/05/50/495310550.db2.gz YTYBQVKVFHBVPE-MRXNPFEDSA-N -1 3 354.793 3.201 20 0 FGADHM CCCCc1noc(CS(=O)(=O)c2nc(C)c(Cc3ccccc3)[n-]2)n1 ZINC000113636694 495323901 /nfs/dbraw/zinc/32/39/01/495323901.db2.gz YJGUNWLCQROKKD-UHFFFAOYSA-N -1 3 374.466 3.008 20 0 FGADHM CCCCc1noc(CS(=O)(=O)c2nc(Cc3ccccc3)c(C)[n-]2)n1 ZINC000113636694 495323903 /nfs/dbraw/zinc/32/39/03/495323903.db2.gz YJGUNWLCQROKKD-UHFFFAOYSA-N -1 3 374.466 3.008 20 0 FGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]Cc2nc3c(cccc3C)[nH]2)c1 ZINC000129989661 495324915 /nfs/dbraw/zinc/32/49/15/495324915.db2.gz RNCNXHKKGFAUQD-UHFFFAOYSA-N -1 3 365.842 3.012 20 0 FGADHM CCc1ccc(-c2noc(-c3ccc(F)c([N-]S(C)(=O)=O)c3)n2)cc1 ZINC000113735400 495327868 /nfs/dbraw/zinc/32/78/68/495327868.db2.gz FUOPBCQFQUJUBD-UHFFFAOYSA-N -1 3 361.398 3.477 20 0 FGADHM O=C(Nc1ccc(Oc2cccnc2)nc1)c1c[n-]c2ccccc2c1=O ZINC000130023578 495329283 /nfs/dbraw/zinc/32/92/83/495329283.db2.gz LUVHTJFVDOEOGW-UHFFFAOYSA-N -1 3 358.357 3.363 20 0 FGADHM O=C(Nc1ccc(Oc2cccnc2)nc1)c1cnc2ccccc2c1[O-] ZINC000130023578 495329286 /nfs/dbraw/zinc/32/92/86/495329286.db2.gz LUVHTJFVDOEOGW-UHFFFAOYSA-N -1 3 358.357 3.363 20 0 FGADHM CCC[C@@H](C)CS(=O)(=O)NCc1ccc([O-])c(Br)c1 ZINC000124722153 495333669 /nfs/dbraw/zinc/33/36/69/495333669.db2.gz OEHRRSSMKNDXAQ-SNVBAGLBSA-N -1 3 350.278 3.010 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H](C)N3CCCCCC3)c2)n1 ZINC000114118032 495349497 /nfs/dbraw/zinc/34/94/97/495349497.db2.gz XTEQJVNDKRYESA-HNNXBMFYSA-N -1 3 368.481 3.202 20 0 FGADHM Cc1ccc(NC(=O)C[C@@H](C)S(=O)(=O)c2ccc(F)cc2)c([O-])c1 ZINC000105507572 495366614 /nfs/dbraw/zinc/36/66/14/495366614.db2.gz AMCIHAVDKLUKEL-GFCCVEGCSA-N -1 3 351.399 3.031 20 0 FGADHM Cc1ccc([C@@H](CNC(=O)Cc2ccc([O-])cc2Cl)N2CCCC2)o1 ZINC000136243679 495366821 /nfs/dbraw/zinc/36/68/21/495366821.db2.gz IJMVYYMBXYEGHO-QGZVFWFLSA-N -1 3 362.857 3.443 20 0 FGADHM CS(=O)(=O)[N-]c1cc(C(=O)N2CCC[C@@]3(CC=CCC3)C2)ccc1F ZINC000114440567 495374006 /nfs/dbraw/zinc/37/40/06/495374006.db2.gz COGIYASPYRAEQV-SFHVURJKSA-N -1 3 366.458 3.160 20 0 FGADHM Cc1ccc(NC(=O)CNC(=O)c2ccccc2C(F)(F)F)c([O-])c1 ZINC000120440552 495378865 /nfs/dbraw/zinc/37/88/65/495378865.db2.gz BXEDGOZSKFXTNW-UHFFFAOYSA-N -1 3 352.312 3.088 20 0 FGADHM Cc1cccc(OCCCCC(=O)Nc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000130456937 495395003 /nfs/dbraw/zinc/39/50/03/495395003.db2.gz KFJZACYUTJNSEY-UHFFFAOYSA-N -1 3 351.410 3.363 20 0 FGADHM Cc1cccc(OCCCCC(=O)Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000130456937 495395008 /nfs/dbraw/zinc/39/50/08/495395008.db2.gz KFJZACYUTJNSEY-UHFFFAOYSA-N -1 3 351.410 3.363 20 0 FGADHM CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)c1C ZINC000106006842 495401577 /nfs/dbraw/zinc/40/15/77/495401577.db2.gz VVJDBDLPLDCEMC-NSHDSACASA-N -1 3 360.435 3.078 20 0 FGADHM CC(C)c1n[n-]c(-c2ccccc2NC(=O)Cc2cn3ccsc3n2)n1 ZINC000114681047 495408705 /nfs/dbraw/zinc/40/87/05/495408705.db2.gz BPBSJEYYSFHNMV-UHFFFAOYSA-N -1 3 366.450 3.486 20 0 FGADHM COc1ccc2nc(NCCCNC(=O)c3cccc([O-])c3)ccc2c1 ZINC000114709297 495413004 /nfs/dbraw/zinc/41/30/04/495413004.db2.gz RVUTYPAHBKHRDX-UHFFFAOYSA-N -1 3 351.406 3.181 20 0 FGADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1cccc(C(F)(F)F)c1F ZINC000120693462 495436282 /nfs/dbraw/zinc/43/62/82/495436282.db2.gz QGHYROCHKSLPQY-UHFFFAOYSA-N -1 3 365.290 3.201 20 0 FGADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1cccc(C(F)(F)F)c1F ZINC000120693462 495436286 /nfs/dbraw/zinc/43/62/86/495436286.db2.gz QGHYROCHKSLPQY-UHFFFAOYSA-N -1 3 365.290 3.201 20 0 FGADHM COc1cc(C(=O)N[C@H](C)c2cn(C(C)(C)C)nc2C)cc(OC)c1[O-] ZINC000137318351 495437178 /nfs/dbraw/zinc/43/71/78/495437178.db2.gz YRQUJCUFBXAXNX-LLVKDONJSA-N -1 3 361.442 3.160 20 0 FGADHM O=C(CC/C=C/c1ccccc1)NCCCNC(=O)c1cccc([O-])c1 ZINC000130761861 495441094 /nfs/dbraw/zinc/44/10/94/495441094.db2.gz KYEOIIWGXHHVOY-ONNFQVAWSA-N -1 3 352.434 3.122 20 0 FGADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3cc[nH]n3)c2)cc1 ZINC000120746546 495448898 /nfs/dbraw/zinc/44/88/98/495448898.db2.gz XWERNDRDQUWMMC-UHFFFAOYSA-N -1 3 370.434 3.080 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H](C)n3nc(C)cc3C)c2)n1 ZINC000138912559 495470565 /nfs/dbraw/zinc/47/05/65/495470565.db2.gz GLDURQYRHCEQNK-CQSZACIVSA-N -1 3 365.437 3.012 20 0 FGADHM COC(=O)C[C@@H](C)SCc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000115189697 495471915 /nfs/dbraw/zinc/47/19/15/495471915.db2.gz OPZFHGTUTAEIHF-SECBINFHSA-N -1 3 364.448 3.429 20 0 FGADHM CCc1cc(=O)[n-]c(CS[C@@H](C)C(=O)NCc2ccc(Cl)cc2)n1 ZINC000125657734 495477950 /nfs/dbraw/zinc/47/79/50/495477950.db2.gz KXLKAMMGLOEFOD-NSHDSACASA-N -1 3 365.886 3.336 20 0 FGADHM COc1ccc([O-])c(C(=O)N(C)CCc2ccc(Br)cc2)c1 ZINC000106667164 495483627 /nfs/dbraw/zinc/48/36/27/495483627.db2.gz LPGKARXTTJIDOZ-UHFFFAOYSA-N -1 3 364.239 3.478 20 0 FGADHM COC(=O)c1sc2[n-]c(CN[C@H](C)c3ccccc3C)nc(=O)c2c1C ZINC000120943882 495489938 /nfs/dbraw/zinc/48/99/38/495489938.db2.gz RWEFELZALQRRON-GFCCVEGCSA-N -1 3 371.462 3.239 20 0 FGADHM O=C(c1c([O-])cccc1F)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000131113124 495494127 /nfs/dbraw/zinc/49/41/27/495494127.db2.gz JHKRTUVPUPFQIQ-AWEZNQCLSA-N -1 3 352.369 3.294 20 0 FGADHM CCc1cc(=O)[n-]c(CSCC(=O)N(CC)Cc2cccc(F)c2)n1 ZINC000125798037 495500493 /nfs/dbraw/zinc/50/04/93/495500493.db2.gz SFNOKXVBCOMKMO-UHFFFAOYSA-N -1 3 363.458 3.166 20 0 FGADHM CCCOc1ccc(CN2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000125816725 495503475 /nfs/dbraw/zinc/50/34/75/495503475.db2.gz VUWXCMRJTJYDCU-UHFFFAOYSA-N -1 3 354.450 3.139 20 0 FGADHM CC=Cc1ccc(NC(=O)c2cnc3c(c2)c(=O)[n-]c(=O)n3C2CC2)cc1 ZINC000568826800 505786352 /nfs/dbraw/zinc/78/63/52/505786352.db2.gz OIWXNBQJCPUOEI-IHWYPQMZSA-N -1 3 362.389 3.117 20 0 FGADHM C[C@H](c1ccc(C(F)(F)F)cc1)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC000580561158 505786427 /nfs/dbraw/zinc/78/64/27/505786427.db2.gz NLRCRLCKLPCESO-BXUZGUMPSA-N -1 3 368.359 3.393 20 0 FGADHM C[S@](=O)Cc1cc(NC(=O)c2cc(-c3ccco3)[n-]n2)ccc1Cl ZINC000115485448 495509620 /nfs/dbraw/zinc/50/96/20/495509620.db2.gz GAFDYBNSXUUDOJ-XMMPIXPASA-N -1 3 363.826 3.454 20 0 FGADHM C[S@](=O)Cc1cc(NC(=O)c2cc(-c3ccco3)n[n-]2)ccc1Cl ZINC000115485448 495509622 /nfs/dbraw/zinc/50/96/22/495509622.db2.gz GAFDYBNSXUUDOJ-XMMPIXPASA-N -1 3 363.826 3.454 20 0 FGADHM C[C@@H]1Oc2cc(F)ccc2[C@@H]1[N-]S(=O)(=O)c1cnc2ccccc2c1 ZINC000571668907 505786886 /nfs/dbraw/zinc/78/68/86/505786886.db2.gz XUBGMRWJHWDAJG-BBATYDOGSA-N -1 3 358.394 3.174 20 0 FGADHM CCC(CC)CS(=O)(=O)[N-]Cc1nc(-c2cccc(Cl)c2)no1 ZINC000115584172 495519928 /nfs/dbraw/zinc/51/99/28/495519928.db2.gz MLOHQQAXEIGMJQ-UHFFFAOYSA-N -1 3 357.863 3.246 20 0 FGADHM CC(=O)NCc1ccc(S(=O)(=O)[N-][C@H](C)c2cc(C)cc(C)c2)s1 ZINC000107309250 495524980 /nfs/dbraw/zinc/52/49/80/495524980.db2.gz UTMKYVIHCBIARD-CYBMUJFWSA-N -1 3 366.508 3.041 20 0 FGADHM Cc1ccc(-n2nc(C(=O)Nc3ncccc3[O-])c3c2CCC3)c(F)c1 ZINC000107342445 495525633 /nfs/dbraw/zinc/52/56/33/495525633.db2.gz BTQZGDDFFURLFS-UHFFFAOYSA-N -1 3 352.369 3.161 20 0 FGADHM Cc1cccc(S(=O)(=O)[N-]c2ccc(O[C@H]3CCCC[C@H]3O)cc2)c1 ZINC000577779717 505791320 /nfs/dbraw/zinc/79/13/20/505791320.db2.gz BRGFVXCBOBQAKS-MOPGFXCFSA-N -1 3 361.463 3.478 20 0 FGADHM C[C@@H](c1ccc([S@](C)=O)cc1)N(C)Cc1cc(=O)oc2cc([O-])ccc12 ZINC000182387619 495542987 /nfs/dbraw/zinc/54/29/87/495542987.db2.gz SFIITSIXZWYEQJ-NRRJATNASA-N -1 3 371.458 3.429 20 0 FGADHM CCC[C@@H](C(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1)C(C)C ZINC000179332391 495546369 /nfs/dbraw/zinc/54/63/69/495546369.db2.gz VUEPHWOCGJHYBJ-OAHLLOKOSA-N -1 3 372.556 3.090 20 0 FGADHM CN(C(=O)c1cc(Oc2ccccc2)ccc1[O-])C1(C(N)=O)CCCC1 ZINC000182413772 495553833 /nfs/dbraw/zinc/55/38/33/495553833.db2.gz ZEHSTAYVFGCUSE-UHFFFAOYSA-N -1 3 354.406 3.055 20 0 FGADHM Cc1cnc([C@@H]([N-]S(=O)(=O)c2cccc3cccnc32)C2CC2)s1 ZINC000173489549 495554825 /nfs/dbraw/zinc/55/48/25/495554825.db2.gz TUTYOSYDAWNXLQ-INIZCTEOSA-N -1 3 359.476 3.429 20 0 FGADHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)C=Cc3ccc(Cl)nc3)c2)n1 ZINC000154266545 495562832 /nfs/dbraw/zinc/56/28/32/495562832.db2.gz OIVWVCQHXIAHES-SOFGYWHQSA-N -1 3 366.808 3.446 20 0 FGADHM O=c1nc(CN2CCOC3(CCC3)C2)[n-]c2sc(-c3ccccc3)cc21 ZINC000154285638 495568681 /nfs/dbraw/zinc/56/86/81/495568681.db2.gz HNPHHZLQXRUPCB-UHFFFAOYSA-N -1 3 367.474 3.407 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NC[C@H]2CCCC[C@@H]2C)c1 ZINC000185441566 495578409 /nfs/dbraw/zinc/57/84/09/495578409.db2.gz YPZDIQVBKZBRLL-GXTWGEPZSA-N -1 3 371.437 3.497 20 0 FGADHM COc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCCC[C@@H]2n2cccn2)c1 ZINC000173536439 495578580 /nfs/dbraw/zinc/57/85/80/495578580.db2.gz FXMLURQLGYKNKH-GJZGRUSLSA-N -1 3 369.874 3.007 20 0 FGADHM O=S(=O)([N-][C@@H]1CCCC[C@@H]1n1cccn1)c1ccc(F)cc1Cl ZINC000173539077 495579751 /nfs/dbraw/zinc/57/97/51/495579751.db2.gz IFTCHOCNSDRBLN-KGLIPLIRSA-N -1 3 357.838 3.138 20 0 FGADHM Cc1noc(C)c1[C@H](C)C[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000158819582 495594900 /nfs/dbraw/zinc/59/49/00/495594900.db2.gz YPXWBQXYVYEISY-SECBINFHSA-N -1 3 362.373 3.392 20 0 FGADHM CNc1snc(C)c1C(=O)[N-]c1nnc(-c2ccc(OC)cc2)s1 ZINC000154391653 495601927 /nfs/dbraw/zinc/60/19/27/495601927.db2.gz CVPPJDOOUVOVIB-UHFFFAOYSA-N -1 3 361.452 3.273 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3ccc4c(c3)NC(=O)CC4)c[n-]c12 ZINC000154418458 495610911 /nfs/dbraw/zinc/61/09/11/495610911.db2.gz YSZPDIUMXXIMJQ-UHFFFAOYSA-N -1 3 365.364 3.113 20 0 FGADHM CCOC(=O)c1nnc([N-]C(=O)c2ccc3ccc(Cl)cc3n2)s1 ZINC000150736370 495617564 /nfs/dbraw/zinc/61/75/64/495617564.db2.gz PNJBYSJYTXWYFE-UHFFFAOYSA-N -1 3 362.798 3.169 20 0 FGADHM Cc1cnc(C[N-]S(=O)(=O)c2cc(Br)ccc2C)s1 ZINC000173635531 495625901 /nfs/dbraw/zinc/62/59/01/495625901.db2.gz AYYICGPMMAYKQC-UHFFFAOYSA-N -1 3 361.286 3.001 20 0 FGADHM COc1cc(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)cc(OC)c1C(C)C ZINC000574530800 505794588 /nfs/dbraw/zinc/79/45/88/505794588.db2.gz HXPDIMQIEJXWJR-UHFFFAOYSA-N -1 3 357.410 3.453 20 0 FGADHM [O-]C(=NOCc1ccc(C(F)(F)F)cc1)Nc1nc2c(s1)COCC2 ZINC000185622589 495649029 /nfs/dbraw/zinc/64/90/29/495649029.db2.gz DGELMDDYBRDYIX-UHFFFAOYSA-N -1 3 373.356 3.488 20 0 FGADHM O=C([N-]OCc1ccc(C(F)(F)F)cc1)Nc1nc2c(s1)COCC2 ZINC000185622589 495649030 /nfs/dbraw/zinc/64/90/30/495649030.db2.gz DGELMDDYBRDYIX-UHFFFAOYSA-N -1 3 373.356 3.488 20 0 FGADHM COc1ccc([C@@H](NC(=O)c2c[n-]nn2)c2ccccc2Cl)c(C)c1 ZINC000173719560 495661717 /nfs/dbraw/zinc/66/17/17/495661717.db2.gz SMTKRLXKWWKJIC-QGZVFWFLSA-N -1 3 356.813 3.295 20 0 FGADHM COc1ccc([C@@H](NC(=O)c2cnn[n-]2)c2ccccc2Cl)c(C)c1 ZINC000173719560 495661725 /nfs/dbraw/zinc/66/17/25/495661725.db2.gz SMTKRLXKWWKJIC-QGZVFWFLSA-N -1 3 356.813 3.295 20 0 FGADHM COc1ccc([C@@H](NC(=O)c2cn[n-]n2)c2ccccc2Cl)c(C)c1 ZINC000173719560 495661728 /nfs/dbraw/zinc/66/17/28/495661728.db2.gz SMTKRLXKWWKJIC-QGZVFWFLSA-N -1 3 356.813 3.295 20 0 FGADHM Cc1ccccc1C1CCN(C(=O)CCc2c(C)nc(C)[n-]c2=O)CC1 ZINC000170954416 495666790 /nfs/dbraw/zinc/66/67/90/495666790.db2.gz CGSJWXSSXFPKPS-UHFFFAOYSA-N -1 3 353.466 3.034 20 0 FGADHM CC[C@@](C)([N-]S(=O)(=O)c1c(C)nn(CC(C)C)c1C)c1nccs1 ZINC000182694700 495667288 /nfs/dbraw/zinc/66/72/88/495667288.db2.gz AELKMEHKGQVCJX-MRXNPFEDSA-N -1 3 370.544 3.216 20 0 FGADHM COc1ccc([C@H](C)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)c(F)c1 ZINC000182729641 495679300 /nfs/dbraw/zinc/67/93/00/495679300.db2.gz QIZJAHJUIIRKNL-NSHDSACASA-N -1 3 368.430 3.388 20 0 FGADHM COc1ccc([C@H](C)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)cc1 ZINC000182735008 495681624 /nfs/dbraw/zinc/68/16/24/495681624.db2.gz ZKZSCHBPSLVHCE-LBPRGKRZSA-N -1 3 350.440 3.248 20 0 FGADHM O=C(c1ccc2c(c1[O-])CCCC2)N(Cc1ccncc1)C[C@@H]1CCCO1 ZINC000185728339 495699960 /nfs/dbraw/zinc/69/99/60/495699960.db2.gz HQOLFEMONIQEGK-SFHVURJKSA-N -1 3 366.461 3.487 20 0 FGADHM O=C(NCCOc1ccccc1C(F)(F)F)NCc1ccc([O-])c(F)c1 ZINC000159282730 495701339 /nfs/dbraw/zinc/70/13/39/495701339.db2.gz GOJITVARTSYYAG-UHFFFAOYSA-N -1 3 372.318 3.428 20 0 FGADHM CCc1cnc(C[N-]S(=O)(=O)c2cccc(Cl)c2Cl)s1 ZINC000173812959 495703729 /nfs/dbraw/zinc/70/37/29/495703729.db2.gz KBBFFVRFVHLGOP-UHFFFAOYSA-N -1 3 351.280 3.491 20 0 FGADHM COCc1cccc(S(=O)(=O)[N-][C@H](C2CCCC2)C(F)(F)F)c1 ZINC000182792267 495704924 /nfs/dbraw/zinc/70/49/24/495704924.db2.gz NMAFFPXBCAGUKV-CQSZACIVSA-N -1 3 351.390 3.232 20 0 FGADHM Cc1nn2c(nnc2SCc2ncc(-c3ccccc3Cl)o2)[n-]c1=O ZINC000151018069 495712447 /nfs/dbraw/zinc/71/24/47/495712447.db2.gz FRQCNNGQHAXEAK-UHFFFAOYSA-N -1 3 374.813 3.134 20 0 FGADHM Cc1cccc(CS(=O)(=O)[N-]CC(=O)Nc2ccc(C)cc2Cl)c1 ZINC000171090659 495719782 /nfs/dbraw/zinc/71/97/82/495719782.db2.gz QUEOOZYWBJOFNY-UHFFFAOYSA-N -1 3 366.870 3.015 20 0 FGADHM CC(C)(C)C(=O)NCCC(=O)Nc1cc(Cc2ccccc2)ccc1[O-] ZINC000179808350 495743070 /nfs/dbraw/zinc/74/30/70/495743070.db2.gz RPQBOVMQZGAPNX-UHFFFAOYSA-N -1 3 354.450 3.474 20 0 FGADHM CN(C)S(=O)(=O)c1ccc(F)c([N-]C(=O)c2c(F)cccc2Cl)c1 ZINC000151154121 495755515 /nfs/dbraw/zinc/75/55/15/495755515.db2.gz PIFXYAQXFIQZCA-UHFFFAOYSA-N -1 3 374.796 3.121 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)NC[C@@H](C)Oc3cccc(F)c3)c[n-]c12 ZINC000154916786 495771695 /nfs/dbraw/zinc/77/16/95/495771695.db2.gz KIEUCODNWDUARF-GFCCVEGCSA-N -1 3 372.371 3.312 20 0 FGADHM COc1ccc(C(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)c(C)c1 ZINC000151231500 495779538 /nfs/dbraw/zinc/77/95/38/495779538.db2.gz HITGXAZDEJQSFP-UHFFFAOYSA-N -1 3 368.433 3.200 20 0 FGADHM CCC[C@@H](C)CS(=O)(=O)[N-][C@@H](C)c1nc(-c2cccc(OC)c2)no1 ZINC000174033901 495796976 /nfs/dbraw/zinc/79/69/76/495796976.db2.gz YNFKSOMBUSSATF-OLZOCXBDSA-N -1 3 367.471 3.162 20 0 FGADHM C[C@@H](CC(=O)N1CCN(C(=O)c2cccc([O-])c2)CC1)c1ccccc1F ZINC000171271663 495799042 /nfs/dbraw/zinc/79/90/42/495799042.db2.gz HIHIUENQKCYDTJ-HNNXBMFYSA-N -1 3 370.424 3.010 20 0 FGADHM CCC(CC)c1cc(CNC(=O)CCNC(=O)c2ccc(C)cc2[O-])on1 ZINC000174049655 495802866 /nfs/dbraw/zinc/80/28/66/495802866.db2.gz JXWOWMDSEHKLOR-UHFFFAOYSA-N -1 3 373.453 3.029 20 0 FGADHM CC(C)c1csc(C[N-]S(=O)(=O)Cc2noc3ccccc32)n1 ZINC000185969975 495803878 /nfs/dbraw/zinc/80/38/78/495803878.db2.gz MGFUFTHNQLYVIQ-UHFFFAOYSA-N -1 3 351.453 3.027 20 0 FGADHM Cc1nc(C)c(S(=O)(=O)[N-][C@H](COCC(C)C)c2ccco2)s1 ZINC000176868373 495818338 /nfs/dbraw/zinc/81/83/38/495818338.db2.gz NHWLZXTYPOTHHY-CYBMUJFWSA-N -1 3 358.485 3.045 20 0 FGADHM O=S(=O)([N-][C@H]([C@H](CO)C1CC1)C1CC1)c1ccc2ccccc2c1F ZINC000571750791 505805905 /nfs/dbraw/zinc/80/59/05/505805905.db2.gz GRWVWLHUECXQKX-APWZRJJASA-N -1 3 363.454 3.054 20 0 FGADHM C[C@H]1[C@H]([N-]S(=O)(=O)c2ccc(Cl)s2)CCN1Cc1ccccc1 ZINC000568910165 505806223 /nfs/dbraw/zinc/80/62/23/505806223.db2.gz ZWTAUKCNDOSVHV-GXTWGEPZSA-N -1 3 370.927 3.343 20 0 FGADHM Cn1cc(CCNC(=O)NCc2ccc([O-])c(F)c2)c2ccc(F)cc21 ZINC000186032220 495828306 /nfs/dbraw/zinc/82/83/06/495828306.db2.gz QLTHGNNMYUWPOA-UHFFFAOYSA-N -1 3 359.376 3.204 20 0 FGADHM CCN(CC(=O)Nc1c(C)cccc1C)C(=O)c1cc(OC)ccc1[O-] ZINC000174124106 495828363 /nfs/dbraw/zinc/82/83/63/495828363.db2.gz RKMVAAWFBPLEPK-UHFFFAOYSA-N -1 3 356.422 3.118 20 0 FGADHM CCc1ccc(OCC(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000151512959 495862958 /nfs/dbraw/zinc/86/29/58/495862958.db2.gz KZFDWEMMESUCJM-UHFFFAOYSA-N -1 3 364.239 3.412 20 0 FGADHM CC(C)Oc1ccc(S(=O)(=O)[N-]c2ncccc2Br)cc1 ZINC000180140538 495876105 /nfs/dbraw/zinc/87/61/05/495876105.db2.gz CPGSVAGYJNRHOY-UHFFFAOYSA-N -1 3 371.256 3.432 20 0 FGADHM O=C(NCc1ccc([O-])c(Br)c1)[C@H]1CCOc2ccccc21 ZINC000151593849 495889502 /nfs/dbraw/zinc/88/95/02/495889502.db2.gz YFCHUDBRUIJZKL-ZDUSSCGKSA-N -1 3 362.223 3.337 20 0 FGADHM Cc1nn(C)c2sc(C(=O)[N-]c3n[nH]c(Cc4cccc(F)c4)n3)cc12 ZINC000183254640 495902379 /nfs/dbraw/zinc/90/23/79/495902379.db2.gz YLYCDJMIXJVFIP-UHFFFAOYSA-N -1 3 370.413 3.044 20 0 FGADHM C[C@H]1CCCC[C@@H]1OCC(=O)NCc1ccc([O-])c(Br)c1 ZINC000151647541 495905386 /nfs/dbraw/zinc/90/53/86/495905386.db2.gz FBBWMXWBQOEYGL-NHYWBVRUSA-N -1 3 356.260 3.366 20 0 FGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)Cc1ccc(F)cc1Cl ZINC000151658282 495909194 /nfs/dbraw/zinc/90/91/94/495909194.db2.gz QETBWVUUCJXGKX-UHFFFAOYSA-N -1 3 356.806 3.032 20 0 FGADHM O=C([N-]c1nnc(Cc2ccc(F)cc2)s1)c1cnc2ccccc2n1 ZINC000171520403 495909861 /nfs/dbraw/zinc/90/98/61/495909861.db2.gz OYEVCPYGDQMXHF-UHFFFAOYSA-N -1 3 365.393 3.464 20 0 FGADHM Cc1nc(C)c(CC(=O)N[C@H](c2ccc(Cl)cc2)C(F)(F)F)c(=O)[n-]1 ZINC000151703800 495923983 /nfs/dbraw/zinc/92/39/83/495923983.db2.gz SHTQTWFAWBUOSF-CQSZACIVSA-N -1 3 373.762 3.002 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)NC[C@H](c1cccs1)N1CCCC1 ZINC000155342793 495926234 /nfs/dbraw/zinc/92/62/34/495926234.db2.gz YEXGHFDHFBPRAZ-OAHLLOKOSA-N -1 3 363.458 3.229 20 0 FGADHM O=C(CC1CCC(c2ccccc2)CC1)Nc1nnc(SCCO)[n-]1 ZINC000155351612 495929991 /nfs/dbraw/zinc/92/99/91/495929991.db2.gz UZYVGBUVBNKNEI-UHFFFAOYSA-N -1 3 360.483 3.192 20 0 FGADHM O=C(CC1CCC(c2ccccc2)CC1)Nc1nc(SCCO)n[n-]1 ZINC000155351612 495929998 /nfs/dbraw/zinc/92/99/98/495929998.db2.gz UZYVGBUVBNKNEI-UHFFFAOYSA-N -1 3 360.483 3.192 20 0 FGADHM O=C(CC1CCC(c2ccccc2)CC1)Nc1n[n-]c(SCCO)n1 ZINC000155351612 495930001 /nfs/dbraw/zinc/93/00/01/495930001.db2.gz UZYVGBUVBNKNEI-UHFFFAOYSA-N -1 3 360.483 3.192 20 0 FGADHM C[C@@H]1CCN(C(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)c2c([O-])cccc21 ZINC000186291287 495931823 /nfs/dbraw/zinc/93/18/23/495931823.db2.gz VPZYLWWCRCOESW-HZPDHXFCSA-N -1 3 371.481 3.160 20 0 FGADHM O=C(c1ccccc1[O-])N1CCN([C@@H]2CCCc3ccc(F)cc32)CC1 ZINC000151738959 495933189 /nfs/dbraw/zinc/93/31/89/495933189.db2.gz YCWPWXRFCDYUOO-LJQANCHMSA-N -1 3 354.425 3.367 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N(C)[C@H](C)c2ccc(F)cc2)c([O-])c1 ZINC000183334839 495936408 /nfs/dbraw/zinc/93/64/08/495936408.db2.gz JNDJCCBPPGGTBR-CQSZACIVSA-N -1 3 358.413 3.179 20 0 FGADHM C[C@H]1CCN(C(=O)c2cc(S(C)(=O)=O)cs2)c2c([O-])cccc21 ZINC000186309716 495941333 /nfs/dbraw/zinc/94/13/33/495941333.db2.gz NEXDJBOLIPNLGO-JTQLQIEISA-N -1 3 351.449 3.011 20 0 FGADHM Cc1cc2c(cc1NC(=O)c1c[n-]c3c(C)cc(F)cc3c1=O)OCO2 ZINC000183359981 495947327 /nfs/dbraw/zinc/94/73/27/495947327.db2.gz OGVSCXZZEYFKQA-UHFFFAOYSA-N -1 3 354.337 3.265 20 0 FGADHM Cc1cccc(C(=O)N2CCC([C@H](C)NC(=O)OC(C)(C)C)CC2)c1[O-] ZINC000171621611 495952434 /nfs/dbraw/zinc/95/24/34/495952434.db2.gz RSEHCHHYVGEQGO-AWEZNQCLSA-N -1 3 362.470 3.466 20 0 FGADHM Cc1nc(C)c(CCC(=O)N2CC[C@H](C)[C@@H]2c2cccc(F)c2)c(=O)[n-]1 ZINC000174447741 495963423 /nfs/dbraw/zinc/96/34/23/495963423.db2.gz OVTVOXKMLAALDA-HXPMCKFVSA-N -1 3 357.429 3.068 20 0 FGADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCc1ccoc1 ZINC000183399298 495964738 /nfs/dbraw/zinc/96/47/38/495964738.db2.gz UYTRWQOMUAAVOS-LJQANCHMSA-N -1 3 364.401 3.163 20 0 FGADHM COC1(C[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CCC1 ZINC000180391251 495977272 /nfs/dbraw/zinc/97/72/72/495977272.db2.gz PNZKTARVNQHVOB-UHFFFAOYSA-N -1 3 357.781 3.206 20 0 FGADHM COC(=O)c1c(C)nc(=O)[n-]c1S[C@H](C)c1ncc(C(C)(C)C)o1 ZINC000177217280 495981658 /nfs/dbraw/zinc/98/16/58/495981658.db2.gz MFDYOUMKXWNACX-SECBINFHSA-N -1 3 351.428 3.004 20 0 FGADHM CC(C)c1cc(C(=O)N2CC[C@H](N3CCOCC3)C2)c([O-])c(C(C)C)c1 ZINC000174494737 495982225 /nfs/dbraw/zinc/98/22/25/495982225.db2.gz MQWLRNDQIIUWDY-KRWDZBQOSA-N -1 3 360.498 3.186 20 0 FGADHM Cc1cccc2c(=O)c(C(=O)NC3CCN(c4ccccn4)CC3)c[n-]c12 ZINC000155529406 495984859 /nfs/dbraw/zinc/98/48/59/495984859.db2.gz KHZOVVMZNOCENI-UHFFFAOYSA-N -1 3 362.433 3.043 20 0 FGADHM Cc1cccc(F)c1S(=O)(=O)[N-]C[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000186415874 495989415 /nfs/dbraw/zinc/98/94/15/495989415.db2.gz SJBMTOWKPVKEPB-CQSZACIVSA-N -1 3 366.433 3.078 20 0 FGADHM O=C(Cc1ccc([O-])cc1Cl)NC1CCN(Cc2ccsc2)CC1 ZINC000151927344 495994904 /nfs/dbraw/zinc/99/49/04/495994904.db2.gz PMFCADHRWSWYRK-UHFFFAOYSA-N -1 3 364.898 3.430 20 0 FGADHM O=C(CC[C@H]1Cc2ccccc2NC1=O)N1CCCc2cccc([O-])c21 ZINC000155598335 496007924 /nfs/dbraw/zinc/00/79/24/496007924.db2.gz SNIZCVBFLROMGY-INIZCTEOSA-N -1 3 350.418 3.263 20 0 FGADHM O=C(Nc1ccccc1[O-])C1CCN(Cc2noc3c2CCCC3)CC1 ZINC000171730662 496011040 /nfs/dbraw/zinc/01/10/40/496011040.db2.gz QLYYTTRDRQOZOX-UHFFFAOYSA-N -1 3 355.438 3.110 20 0 FGADHM Cc1ccc(F)c(OCC(=O)Nc2cccc(-c3nc(C)cc(=O)[n-]3)c2)c1 ZINC000152006773 496020992 /nfs/dbraw/zinc/02/09/92/496020992.db2.gz JAXWIUJXAJCBLU-UHFFFAOYSA-N -1 3 367.380 3.210 20 0 FGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H]1CC12CCSCC2 ZINC000574627974 505818490 /nfs/dbraw/zinc/81/84/90/505818490.db2.gz LVEXXYYQIMZBEL-NSHDSACASA-N -1 3 361.916 3.160 20 0 FGADHM CCCCN(CC)C(=O)C(=O)[N-]c1scc(CC(C)C)c1C(=O)OC ZINC000174691695 496064044 /nfs/dbraw/zinc/06/40/44/496064044.db2.gz IFBNDHJJNNGTNY-UHFFFAOYSA-N -1 3 368.499 3.320 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)N[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000180626726 496074996 /nfs/dbraw/zinc/07/49/96/496074996.db2.gz VTXQYAGVXCFDPA-DOTOQJQBSA-N -1 3 366.339 3.139 20 0 FGADHM Cc1ccc(-n2c3ccc(C)cc3nc2[N-]C(=O)C(=O)c2cnn(C)c2)cc1 ZINC000174760231 496094301 /nfs/dbraw/zinc/09/43/01/496094301.db2.gz GVZHHNICSHZZCB-UHFFFAOYSA-N -1 3 373.416 3.197 20 0 FGADHM CN(C)CCN(Cc1ccco1)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000180704010 496110843 /nfs/dbraw/zinc/11/08/43/496110843.db2.gz LVCWNXNGFKVIES-UHFFFAOYSA-N -1 3 356.344 3.208 20 0 FGADHM C[C@]1(c2cccc(NC(=O)CC/C=C/c3ccccc3)c2)NC(=O)[N-]C1=O ZINC000152304014 496111080 /nfs/dbraw/zinc/11/10/80/496111080.db2.gz YOLPSQQIWJBBJI-BSDIHXDHSA-N -1 3 363.417 3.173 20 0 FGADHM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C[C@H](C)c2ncc(C)s2)c1 ZINC000186721218 496121662 /nfs/dbraw/zinc/12/16/62/496121662.db2.gz JZEHEOFEKVIKTO-VIFPVBQESA-N -1 3 372.899 3.390 20 0 FGADHM CCO[C@H]1CCCN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)C1 ZINC000156027353 496136840 /nfs/dbraw/zinc/13/68/40/496136840.db2.gz CCOFSYCYKNISDK-LBPRGKRZSA-N -1 3 359.451 3.246 20 0 FGADHM Cc1cc(S(=O)(=O)[N-][C@H](C)CC(=O)c2cccs2)c(F)cc1F ZINC000152394517 496137884 /nfs/dbraw/zinc/13/78/84/496137884.db2.gz PQMZWARDEOGPPH-SNVBAGLBSA-N -1 3 359.419 3.275 20 0 FGADHM Cc1cnc(CCN(C)C(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)s1 ZINC000152409963 496142653 /nfs/dbraw/zinc/14/26/53/496142653.db2.gz GDKHAMWWZWJRHP-UHFFFAOYSA-N -1 3 359.426 3.055 20 0 FGADHM CCC[C@@H]1CCc2ccccc2N1C(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000152441232 496153069 /nfs/dbraw/zinc/15/30/69/496153069.db2.gz MQXJTRKORKWBFG-QGZVFWFLSA-N -1 3 353.466 3.467 20 0 FGADHM CCOc1ccccc1C(=O)NCCCC(=O)Nc1cc(F)ccc1[O-] ZINC000174903763 496157480 /nfs/dbraw/zinc/15/74/80/496157480.db2.gz YJWANGROZVAUPH-UHFFFAOYSA-N -1 3 360.385 3.079 20 0 FGADHM COc1ccc([O-])c(C(=O)Nc2ccc(NC[C@@H]3CCCO3)c(F)c2)c1 ZINC000156100749 496158242 /nfs/dbraw/zinc/15/82/42/496158242.db2.gz USLNWLDIDNPXEX-AWEZNQCLSA-N -1 3 360.385 3.383 20 0 FGADHM Cc1ccc2c(c1)[C@H]([N-]S(=O)(=O)c1ccc(Br)s1)CO2 ZINC000152533023 496180326 /nfs/dbraw/zinc/18/03/26/496180326.db2.gz VVLZQPQLUJBEDV-SNVBAGLBSA-N -1 3 374.281 3.231 20 0 FGADHM Cc1nc(S(=O)(=O)Cc2cn3cccc(C)c3n2)[n-]c1-c1ccccc1 ZINC000186852931 496181225 /nfs/dbraw/zinc/18/12/25/496181225.db2.gz ZWXOQJDJFBPAGP-UHFFFAOYSA-N -1 3 366.446 3.315 20 0 FGADHM Cc1[n-]c(S(=O)(=O)Cc2cn3cccc(C)c3n2)nc1-c1ccccc1 ZINC000186852931 496181230 /nfs/dbraw/zinc/18/12/30/496181230.db2.gz ZWXOQJDJFBPAGP-UHFFFAOYSA-N -1 3 366.446 3.315 20 0 FGADHM Cc1cc(NC(=O)C(=O)NCc2ccc([O-])c(F)c2)ccc1C(F)(F)F ZINC000174957626 496182122 /nfs/dbraw/zinc/18/21/22/496182122.db2.gz WFVCIZBNFOYCKB-UHFFFAOYSA-N -1 3 370.302 3.113 20 0 FGADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](CC(C)C)c2ccccc2)c(C)o1 ZINC000177749953 496182169 /nfs/dbraw/zinc/18/21/69/496182169.db2.gz MNZCRBASBJFBDG-MRXNPFEDSA-N -1 3 364.467 3.013 20 0 FGADHM COc1cc(C(=O)N(C)Cc2nc(-c3ccccc3)c[nH]2)cc(OC)c1[O-] ZINC000156204189 496185759 /nfs/dbraw/zinc/18/57/59/496185759.db2.gz WRBUDDHQDZAODA-UHFFFAOYSA-N -1 3 367.405 3.072 20 0 FGADHM O=C(CS(=O)(=O)c1cccc([O-])c1)Nc1c(Cl)cccc1Cl ZINC000183990613 496190270 /nfs/dbraw/zinc/19/02/70/496190270.db2.gz ONWQMRVWKRZYCZ-UHFFFAOYSA-N -1 3 360.218 3.111 20 0 FGADHM CSc1ccc(NC(=O)CSc2n[n-]c(-c3ccccn3)n2)cc1 ZINC000172163090 496191306 /nfs/dbraw/zinc/19/13/06/496191306.db2.gz LRAPYVMKSKQOCG-UHFFFAOYSA-N -1 3 357.464 3.319 20 0 FGADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N3CC[C@@H](C)[C@H]3C)cs2)c1 ZINC000184005852 496197051 /nfs/dbraw/zinc/19/70/51/496197051.db2.gz WCIHUAJNFOVUKZ-CHWSQXEVSA-N -1 3 373.478 3.209 20 0 FGADHM CCN(Cc1ccc(C(=O)N(CC(=O)[O-])c2ccccc2)cc1)C1CC1 ZINC000156257981 496199468 /nfs/dbraw/zinc/19/94/68/496199468.db2.gz ULDCOZXRQPQKJJ-UHFFFAOYSA-N -1 3 352.434 3.402 20 0 FGADHM CS(=O)(=O)[N-]c1cc(NC(=O)C2(c3cccc(F)c3)CC2)ccc1F ZINC000172192377 496201818 /nfs/dbraw/zinc/20/18/18/496201818.db2.gz WYVPKNVQXAANIT-UHFFFAOYSA-N -1 3 366.389 3.007 20 0 FGADHM COc1ccc(S(=O)(=O)[N-][C@H]2CCOC(C)(C)C2)c(Cl)c1Cl ZINC000156268758 496202780 /nfs/dbraw/zinc/20/27/80/496202780.db2.gz LXGHAOYITFUNFA-VIFPVBQESA-N -1 3 368.282 3.238 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)NCCCSCC(C)C)c[n-]c12 ZINC000152616277 496203574 /nfs/dbraw/zinc/20/35/74/496203574.db2.gz PQUOAOUEKDJEDB-UHFFFAOYSA-N -1 3 350.459 3.485 20 0 FGADHM CC[C@H]1C[C@H](NC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)CCO1 ZINC000574679299 505829784 /nfs/dbraw/zinc/82/97/84/505829784.db2.gz KVRLMGJEGZSACG-CVEARBPZSA-N -1 3 356.426 3.237 20 0 FGADHM O=C(N[C@H]1CCN(c2ccc(Cl)cc2)C1)c1c[n-]c2ccccc2c1=O ZINC000180942488 496209752 /nfs/dbraw/zinc/20/97/52/496209752.db2.gz OYZSGNJIBFTFTA-AWEZNQCLSA-N -1 3 367.836 3.190 20 0 FGADHM COc1ccc(Cl)cc1NC(=O)CC[S@](=O)c1cccc([O-])c1 ZINC000184028704 496210242 /nfs/dbraw/zinc/21/02/42/496210242.db2.gz OXNLTFNLHAJYJG-QHCPKHFHSA-N -1 3 353.827 3.191 20 0 FGADHM COC[C@H]1CCCN(C(=O)c2ccc(C(=O)c3cccc([O-])c3)cc2)C1 ZINC000186930857 496216016 /nfs/dbraw/zinc/21/60/16/496216016.db2.gz VOQSETBSILEOEO-HNNXBMFYSA-N -1 3 353.418 3.122 20 0 FGADHM CC1(C)C[C@@H]([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)CCO1 ZINC000156328778 496216909 /nfs/dbraw/zinc/21/69/09/496216909.db2.gz SSARFXUDEAWZRH-JTQLQIEISA-N -1 3 355.353 3.080 20 0 FGADHM C[C@@H](NC(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1)C1CCCC1 ZINC000172230858 496219736 /nfs/dbraw/zinc/21/97/36/496219736.db2.gz INHHVBRGNZBFOI-CQSZACIVSA-N -1 3 359.470 3.331 20 0 FGADHM COC(=O)c1scc(C)c1[N-]C(=O)c1csc([C@H]2CCCO2)n1 ZINC000186949986 496226102 /nfs/dbraw/zinc/22/61/02/496226102.db2.gz VWGBDGCEGGKCSG-SNVBAGLBSA-N -1 3 352.437 3.403 20 0 FGADHM CC[C@H](C)NC(=O)c1cccc(CNC(=O)NCc2ccc([O-])c(F)c2)c1 ZINC000156396854 496234407 /nfs/dbraw/zinc/23/44/07/496234407.db2.gz ZZACQRAQEVNUQJ-ZDUSSCGKSA-N -1 3 373.428 3.059 20 0 FGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000175071431 496237197 /nfs/dbraw/zinc/23/71/97/496237197.db2.gz FRGNXPJQYQERMO-UHFFFAOYSA-N -1 3 361.320 3.210 20 0 FGADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)n1 ZINC000177921034 496251720 /nfs/dbraw/zinc/25/17/20/496251720.db2.gz YXNJSSUQXJQCEC-CYBMUJFWSA-N -1 3 358.417 3.041 20 0 FGADHM C[C@H]1CN(Cc2csc([N-]C(=O)c3sccc3F)n2)C[C@H](C)O1 ZINC000569023498 505832879 /nfs/dbraw/zinc/83/28/79/505832879.db2.gz PMNPYLHUJMZPNQ-UWVGGRQHSA-N -1 3 355.460 3.205 20 0 FGADHM CC(=O)N1CC[C@H](NC(=O)c2cc(C)ccc2[O-])c2ccc(F)cc2C1 ZINC000184163148 496266553 /nfs/dbraw/zinc/26/65/53/496266553.db2.gz LZRODZVKZLKPTH-SFHVURJKSA-N -1 3 356.397 3.063 20 0 FGADHM O=S(=O)(C[C@@H]1CCCO1)[N-]c1ccc(Oc2ccc(Cl)cc2)nc1 ZINC000172367335 496271137 /nfs/dbraw/zinc/27/11/37/496271137.db2.gz IQIJINLRMBXCIC-HNNXBMFYSA-N -1 3 368.842 3.448 20 0 FGADHM O=C(COc1ccc(Br)cc1)[N-]c1nncn1-c1ccccc1 ZINC000181107842 496273213 /nfs/dbraw/zinc/27/32/13/496273213.db2.gz ADGLBICLJOAWRB-UHFFFAOYSA-N -1 3 373.210 3.047 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1C(F)(F)F ZINC000156551794 496277547 /nfs/dbraw/zinc/27/75/47/496277547.db2.gz OEJVRDNPLYJPFB-UHFFFAOYSA-N -1 3 351.263 3.277 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1C(F)(F)F ZINC000156551794 496277551 /nfs/dbraw/zinc/27/75/51/496277551.db2.gz OEJVRDNPLYJPFB-UHFFFAOYSA-N -1 3 351.263 3.277 20 0 FGADHM CCCn1ccc2ccc(NC(=O)CCc3c(C)nc(C)[n-]c3=O)cc21 ZINC000175274622 496318012 /nfs/dbraw/zinc/31/80/12/496318012.db2.gz BSVNIERLKLHLRD-UHFFFAOYSA-N -1 3 352.438 3.323 20 0 FGADHM CN(C)CCOc1ccc(NC(=O)c2cc(F)c([O-])c(Cl)c2)cc1 ZINC000184283901 496320055 /nfs/dbraw/zinc/32/00/55/496320055.db2.gz GRCVFBIOBBZICL-UHFFFAOYSA-N -1 3 352.793 3.377 20 0 FGADHM C[C@H](NC(=O)Cc1ccc([O-])cc1Cl)c1ccc2c(c1)CCC(=O)N2 ZINC000178082765 496321313 /nfs/dbraw/zinc/32/13/13/496321313.db2.gz HUUPXKSJYXAPBO-NSHDSACASA-N -1 3 358.825 3.350 20 0 FGADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)nc2)c(CN(C)C)c1 ZINC000181315758 496351049 /nfs/dbraw/zinc/35/10/49/496351049.db2.gz FZTAVGYXKVILEE-UHFFFAOYSA-N -1 3 373.400 3.271 20 0 FGADHM CSCCCCCCNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000184360094 496351407 /nfs/dbraw/zinc/35/14/07/496351407.db2.gz UYYBLPXBMIOKIF-INIZCTEOSA-N -1 3 364.511 3.036 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)C[C@H](C)c3c(C)noc3C)[n-]c21 ZINC000162499411 496362623 /nfs/dbraw/zinc/36/26/23/496362623.db2.gz QUYNBTJAATVBCL-VIFPVBQESA-N -1 3 356.382 3.087 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)C[C@H](C)c3c(C)noc3C)nc21 ZINC000162499411 496362630 /nfs/dbraw/zinc/36/26/30/496362630.db2.gz QUYNBTJAATVBCL-VIFPVBQESA-N -1 3 356.382 3.087 20 0 FGADHM CC(C)OC(=O)CCC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000162509018 496364293 /nfs/dbraw/zinc/36/42/93/496364293.db2.gz DQFXXHZRUOXIFB-UHFFFAOYSA-N -1 3 354.255 3.004 20 0 FGADHM Cc1cccc(S(=O)(=O)[N-]C[C@@H](c2ccccc2)C(C)(C)CO)c1F ZINC000181387719 496374225 /nfs/dbraw/zinc/37/42/25/496374225.db2.gz OOIORCCYEIWUDN-INIZCTEOSA-N -1 3 365.470 3.215 20 0 FGADHM CC(C)C[C@H](C)NC(=O)Cc1csc(NC(=O)c2cccc([O-])c2)n1 ZINC000162635977 496387176 /nfs/dbraw/zinc/38/71/76/496387176.db2.gz XTBOHWIAGJICEH-LBPRGKRZSA-N -1 3 361.467 3.194 20 0 FGADHM O=C([N-]c1nc2c(s1)COCC2)c1cc(-c2ccc3c(c2)CCO3)no1 ZINC000178272905 496395622 /nfs/dbraw/zinc/39/56/22/496395622.db2.gz YMXZUDLNGAQRLU-UHFFFAOYSA-N -1 3 369.402 3.058 20 0 FGADHM O=S(=O)([N-][C@H]1CCO[C@H](C2CC2)C1)c1cc(C(F)(F)F)ccc1F ZINC000162727053 496402999 /nfs/dbraw/zinc/40/29/99/496402999.db2.gz JCMZDUHGTGWCCE-AAEUAGOBSA-N -1 3 367.364 3.080 20 0 FGADHM CC[C@@H](NC(=O)c1cc(S(=O)(=O)[N-]C)oc1C)c1cccc(Cl)c1 ZINC000175507833 496419368 /nfs/dbraw/zinc/41/93/68/496419368.db2.gz STYZDLKCRDPAKD-CQSZACIVSA-N -1 3 370.858 3.031 20 0 FGADHM Cc1ncc(/C=C/C(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)s1 ZINC000178342412 496420301 /nfs/dbraw/zinc/42/03/01/496420301.db2.gz LWONSNWFHKCDNQ-VOTSOKGWSA-N -1 3 371.462 3.048 20 0 FGADHM O=C(CCc1nc(-c2ccc(Cl)cc2)no1)[N-]OCCC(F)(F)F ZINC000162871921 496425587 /nfs/dbraw/zinc/42/55/87/496425587.db2.gz DRHPDWMMZHIZNM-UHFFFAOYSA-N -1 3 363.723 3.323 20 0 FGADHM CC[C@@H]1CCCC[C@H]1OCC(=O)Nc1n[n-]c(-c2ccccc2OC)n1 ZINC000184533187 496426586 /nfs/dbraw/zinc/42/65/86/496426586.db2.gz BFMHMYYVKQQKHA-UKRRQHHQSA-N -1 3 358.442 3.404 20 0 FGADHM O=C(c1ccc(Cl)cc1)C1CCN(C(=O)c2ccc(O)cc2[O-])CC1 ZINC000175531286 496429227 /nfs/dbraw/zinc/42/92/27/496429227.db2.gz AXWXSGLJVKZWAB-UHFFFAOYSA-N -1 3 359.809 3.486 20 0 FGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]C3C[C@H](C)O[C@@H](C)C3)s2)cs1 ZINC000162892795 496429564 /nfs/dbraw/zinc/42/95/64/496429564.db2.gz VDZQCDPFZKLXQN-UWVGGRQHSA-N -1 3 372.537 3.414 20 0 FGADHM CCc1cc(C(=O)Nc2cc(C)ccc2[N-]S(C)(=O)=O)oc1CC ZINC000162907276 496431224 /nfs/dbraw/zinc/43/12/24/496431224.db2.gz ZPJUCZUKIGVQSF-UHFFFAOYSA-N -1 3 350.440 3.337 20 0 FGADHM O=C([N-]c1n[nH]c(C2CCC2)n1)c1csc(-c2ccc3c(c2)OCO3)n1 ZINC000184586702 496452019 /nfs/dbraw/zinc/45/20/19/496452019.db2.gz JVJYVYRNKOMYNY-UHFFFAOYSA-N -1 3 369.406 3.177 20 0 FGADHM Cc1nc(C)c(S(=O)(=O)[N-][C@H]2CCO[C@H]2c2ccc(Cl)cc2)s1 ZINC000181590577 496460100 /nfs/dbraw/zinc/46/01/00/496460100.db2.gz FDNRWFQTZVHISR-KBPBESRZSA-N -1 3 372.899 3.222 20 0 FGADHM COc1ccc(-c2csc([N-]c3ncnc4n[nH]cc43)n2)cc1OC ZINC000163091648 496462740 /nfs/dbraw/zinc/46/27/40/496462740.db2.gz JZRAOZSGTZXCTM-UHFFFAOYSA-N -1 3 354.395 3.237 20 0 FGADHM O=S(=O)(CCOc1ccc(F)cc1)[N-]c1ccc(-c2cc[nH]n2)cc1 ZINC000172888937 496478689 /nfs/dbraw/zinc/47/86/89/496478689.db2.gz RHBJLVTZANKVDX-UHFFFAOYSA-N -1 3 361.398 3.037 20 0 FGADHM COc1cc(C(=O)N(C)[C@@H]2CCCc3nc(C)sc32)cc(OC)c1[O-] ZINC000163259998 496488985 /nfs/dbraw/zinc/48/89/85/496488985.db2.gz VDXRIMYXFDPRMB-CYBMUJFWSA-N -1 3 362.451 3.324 20 0 FGADHM C[C@H](NC(=O)c1c[n-]nc1-c1ccc(Cl)s1)c1nnc2ccccn21 ZINC000187571372 496494321 /nfs/dbraw/zinc/49/43/21/496494321.db2.gz PXPFBEBRNPEXCI-VIFPVBQESA-N -1 3 372.841 3.325 20 0 FGADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCO[C@@H](c3ccccc3)C2)c(F)cc1F ZINC000163376292 496506799 /nfs/dbraw/zinc/50/67/99/496506799.db2.gz OOBPVTFLVFGKCG-RHSMWYFYSA-N -1 3 367.417 3.472 20 0 FGADHM O=C(NCCc1cccc(F)c1)NCc1ccc([O-])c(Br)c1 ZINC000157622456 496518409 /nfs/dbraw/zinc/51/84/09/496518409.db2.gz INLJEJJUARPQJY-UHFFFAOYSA-N -1 3 367.218 3.336 20 0 FGADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N[C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000187655148 496523280 /nfs/dbraw/zinc/52/32/80/496523280.db2.gz GBBRSULZJVOUIX-HUUCEWRRSA-N -1 3 363.417 3.103 20 0 FGADHM Cc1n[nH]c2cc([N-]S(=O)(=O)c3ccc(OCC(F)F)cc3)ccc12 ZINC000181740191 496524846 /nfs/dbraw/zinc/52/48/46/496524846.db2.gz PWQGYACTAXGHIP-UHFFFAOYSA-N -1 3 367.377 3.316 20 0 FGADHM Cc1[nH]nc2cc([N-]S(=O)(=O)c3ccc(OCC(F)F)cc3)ccc12 ZINC000181740191 496524848 /nfs/dbraw/zinc/52/48/48/496524848.db2.gz PWQGYACTAXGHIP-UHFFFAOYSA-N -1 3 367.377 3.316 20 0 FGADHM CCOC(=O)c1cc(NC(=O)[C@H]2C[C@H]2c2cccc(C(F)(F)F)c2)n[n-]1 ZINC000181756445 496530444 /nfs/dbraw/zinc/53/04/44/496530444.db2.gz OZNABAAOEQNZOO-RYUDHWBXSA-N -1 3 367.327 3.347 20 0 FGADHM CCOC(=O)c1cc(NC(=O)[C@H]2C[C@H]2c2cccc(C(F)(F)F)c2)[n-]n1 ZINC000181756445 496530448 /nfs/dbraw/zinc/53/04/48/496530448.db2.gz OZNABAAOEQNZOO-RYUDHWBXSA-N -1 3 367.327 3.347 20 0 FGADHM COc1cccc(OC)c1OCc1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000178714962 496549855 /nfs/dbraw/zinc/54/98/55/496549855.db2.gz KLWHXHKPPRCZBM-UHFFFAOYSA-N -1 3 372.446 3.460 20 0 FGADHM CC(C)[C@](C)(O)C[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000178742637 496557720 /nfs/dbraw/zinc/55/77/20/496557720.db2.gz FWMXXQPCTSJCKJ-GFCCVEGCSA-N -1 3 359.797 3.044 20 0 FGADHM Cc1ccccc1CC(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000178777685 496567818 /nfs/dbraw/zinc/56/78/18/496567818.db2.gz WJMCZYMVNQOGNK-UHFFFAOYSA-N -1 3 352.434 3.120 20 0 FGADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N(CC)CC3CC3)nc(=O)c2c1C ZINC000157865092 496573998 /nfs/dbraw/zinc/57/39/98/496573998.db2.gz ZUXFDHMJTCCXDH-LLVKDONJSA-N -1 3 363.483 3.263 20 0 FGADHM C[C@H](CCc1ccccc1F)C(=O)NCCCNC(=O)c1cccc([O-])c1 ZINC000175857652 496576090 /nfs/dbraw/zinc/57/60/90/496576090.db2.gz HNSPIORAQTVMPE-OAHLLOKOSA-N -1 3 372.440 3.036 20 0 FGADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]C[C@H](C)c1cccc(C)c1 ZINC000178801573 496576758 /nfs/dbraw/zinc/57/67/58/496576758.db2.gz PJTJCABGMNXNQU-ZDUSSCGKSA-N -1 3 365.426 3.003 20 0 FGADHM CC[C@@H]1CN(C(=O)c2cccc(OC)c2[O-])CCN1Cc1ccccc1 ZINC000184921546 496584852 /nfs/dbraw/zinc/58/48/52/496584852.db2.gz ZMNGIRLAHDXBPH-QGZVFWFLSA-N -1 3 354.450 3.137 20 0 FGADHM CCO[C@H]1C[C@@H](N(C)C(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)C12CCC2 ZINC000164265159 496599846 /nfs/dbraw/zinc/59/98/46/496599846.db2.gz DRSWYFXFLQWYIN-SJORKVTESA-N -1 3 372.440 3.395 20 0 FGADHM CSc1ccc(NC(=O)CCc2c(C)nc(C)[n-]c2=O)cc1Cl ZINC000175914547 496600420 /nfs/dbraw/zinc/60/04/20/496600420.db2.gz XAFMRQIOFPKSPM-UHFFFAOYSA-N -1 3 351.859 3.333 20 0 FGADHM CC[C@H](SC)C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000178896302 496608576 /nfs/dbraw/zinc/60/85/76/496608576.db2.gz ZPTQCDVJOUUJLN-HNNXBMFYSA-N -1 3 370.902 3.364 20 0 FGADHM CCC[C@@]1(C)CCCN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])C1 ZINC000173243695 496608617 /nfs/dbraw/zinc/60/86/17/496608617.db2.gz BDUVNOFMPQFXOO-UWJYYQICSA-N -1 3 358.482 3.426 20 0 FGADHM C[C@H](C(=O)Nc1cccc(NC(=O)c2cccc([O-])c2)c1)n1cccn1 ZINC000181956583 496613297 /nfs/dbraw/zinc/61/32/97/496613297.db2.gz FNXUQUGGYCPWNQ-CYBMUJFWSA-N -1 3 350.378 3.041 20 0 FGADHM C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)N1CCC[C@H](C(=O)[O-])C1 ZINC000164588193 496620340 /nfs/dbraw/zinc/62/03/40/496620340.db2.gz MQTAHSAUBZDVOT-TUAOUCFPSA-N -1 3 373.280 3.356 20 0 FGADHM C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)N1CCC[C@H](C(=O)[O-])C1 ZINC000164686014 496627542 /nfs/dbraw/zinc/62/75/42/496627542.db2.gz HCCDVEFZINMGAC-LPHOPBHVSA-N -1 3 366.461 3.077 20 0 FGADHM CC[C@](C)([N-]S(=O)(=O)c1ccc(F)c(F)c1F)c1nc(C)cs1 ZINC000173371313 496663214 /nfs/dbraw/zinc/66/32/14/496663214.db2.gz VQZUBJQNTHGSLI-AWEZNQCLSA-N -1 3 364.414 3.473 20 0 FGADHM C[S@](=O)C[C@@H](NCc1cc([O-])ccc1Br)c1ccccc1 ZINC000182099554 496669502 /nfs/dbraw/zinc/66/95/02/496669502.db2.gz KVSSITSUGWBNPD-IERDGZPVSA-N -1 3 368.296 3.364 20 0 FGADHM Cc1cc(S(=O)(=O)[N-][C@H]2CCCC[C@H]2n2cccn2)sc1Cl ZINC000188073659 496672466 /nfs/dbraw/zinc/67/24/66/496672466.db2.gz GBOPDIUGAPMPOQ-NWDGAFQWSA-N -1 3 359.904 3.369 20 0 FGADHM Cn1c2ccccc2nc1C(C)(C)[N-]S(=O)(=O)c1c(F)cccc1F ZINC000185128811 496673216 /nfs/dbraw/zinc/67/32/16/496673216.db2.gz CPZCFFWHHLCSIM-UHFFFAOYSA-N -1 3 365.405 3.065 20 0 FGADHM COc1cc(C(=O)N2CCC[C@@H]2Cc2cccc(F)c2)cc(OC)c1[O-] ZINC000179101721 496675730 /nfs/dbraw/zinc/67/57/30/496675730.db2.gz QCVQNNGHFZWJNZ-MRXNPFEDSA-N -1 3 359.397 3.396 20 0 FGADHM CC(C)c1csc(C[N-]S(=O)(=O)C2=Cc3ccccc3OC2)n1 ZINC000188109683 496687209 /nfs/dbraw/zinc/68/72/09/496687209.db2.gz XBBOSLNQMSMICE-UHFFFAOYSA-N -1 3 350.465 3.119 20 0 FGADHM Cc1cc(F)c(S(=O)(=O)[N-][C@@H](C)[C@@H]2COc3ccccc32)cc1F ZINC000167545678 496702937 /nfs/dbraw/zinc/70/29/37/496702937.db2.gz GMBGTRSJIQXTJL-AAEUAGOBSA-N -1 3 353.390 3.116 20 0 FGADHM Cc1ccc(NC(=O)c2cccc([O-])c2)cc1NC(=O)CN1CCCCC1 ZINC000182242046 496717748 /nfs/dbraw/zinc/71/77/48/496717748.db2.gz BUBDYPQDQNDMSS-UHFFFAOYSA-N -1 3 367.449 3.377 20 0 FGADHM CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2cccc([O-])c2)CC1 ZINC000182272442 496724161 /nfs/dbraw/zinc/72/41/61/496724161.db2.gz CVTHWYXMRZQSNI-HNNXBMFYSA-N -1 3 371.456 3.164 20 0 FGADHM COc1cc(Br)c(CNC(=O)c2cccc([O-])c2)cc1OC ZINC000182306357 496728908 /nfs/dbraw/zinc/72/89/08/496728908.db2.gz FUGGVYFLDOHOPC-UHFFFAOYSA-N -1 3 366.211 3.102 20 0 FGADHM Cc1ccc(F)c(CN[C@H](CSCCOc2ccccc2)C(=O)[O-])c1 ZINC000277335721 496739805 /nfs/dbraw/zinc/73/98/05/496739805.db2.gz ONZRCWBXMRLRIC-GOSISDBHSA-N -1 3 363.454 3.489 20 0 FGADHM CC(C)(C)Cc1noc2nc(C3CC3)cc(C(=O)[N-]N3CCCCC3=O)c12 ZINC000263842402 496741729 /nfs/dbraw/zinc/74/17/29/496741729.db2.gz WKHXFYMQVIKADR-UHFFFAOYSA-N -1 3 370.453 3.346 20 0 FGADHM CC(C)(C)c1ccc(OCCCC(=O)N2CCc3c(nc[n-]c3=O)C2)cc1 ZINC000273248373 496752499 /nfs/dbraw/zinc/75/24/99/496752499.db2.gz OYZMWAGRVJKWEG-UHFFFAOYSA-N -1 3 369.465 3.224 20 0 FGADHM C[C@@H](CC(=O)N1CCc2c(=O)[n-]cnc2C1)c1ccccc1C(F)(F)F ZINC000273279070 496761143 /nfs/dbraw/zinc/76/11/43/496761143.db2.gz SLXCFIKYOAGNDO-NSHDSACASA-N -1 3 365.355 3.280 20 0 FGADHM COc1cc(NC(=O)c2cn[n-]c2-c2ccsc2)ccc1NC(C)=O ZINC000188362196 496763265 /nfs/dbraw/zinc/76/32/65/496763265.db2.gz CVKRDGFICDREJX-UHFFFAOYSA-N -1 3 356.407 3.358 20 0 FGADHM COc1cc(NC(=O)c2c[n-]nc2-c2ccsc2)ccc1NC(C)=O ZINC000188362196 496763275 /nfs/dbraw/zinc/76/32/75/496763275.db2.gz CVKRDGFICDREJX-UHFFFAOYSA-N -1 3 356.407 3.358 20 0 FGADHM COc1ccc(N[C@H](C)c2cnn(C(C)C)c2C)cc1[N-]S(C)(=O)=O ZINC000191469757 496773421 /nfs/dbraw/zinc/77/34/21/496773421.db2.gz QZOIOFFYRWYSBQ-GFCCVEGCSA-N -1 3 366.487 3.326 20 0 FGADHM CC(C)OCc1cc(NC(=O)Nc2ccnn2C[C@@H]2CCOC2)ccc1[O-] ZINC000569157281 505865266 /nfs/dbraw/zinc/86/52/66/505865266.db2.gz IIGSRODRXYDSJI-AWEZNQCLSA-N -1 3 374.441 3.194 20 0 FGADHM O=C(Nc1ccc(NC([O-])=NOCc2ccc(F)cc2)cc1)[C@H]1CCCO1 ZINC000273352348 496780945 /nfs/dbraw/zinc/78/09/45/496780945.db2.gz UCEKGBFXYHIFIT-QGZVFWFLSA-N -1 3 373.384 3.197 20 0 FGADHM O=C([N-]OCc1ccc(F)cc1)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1 ZINC000273352348 496780951 /nfs/dbraw/zinc/78/09/51/496780951.db2.gz UCEKGBFXYHIFIT-QGZVFWFLSA-N -1 3 373.384 3.197 20 0 FGADHM Cc1nc2ccc(NC([O-])=NOC[C@H](C)NC(=O)OC(C)(C)C)cc2o1 ZINC000273363836 496784694 /nfs/dbraw/zinc/78/46/94/496784694.db2.gz WMYQTBIOJASKRK-JTQLQIEISA-N -1 3 364.402 3.103 20 0 FGADHM Cc1nc2ccc(NC(=O)[N-]OC[C@H](C)NC(=O)OC(C)(C)C)cc2o1 ZINC000273363836 496784699 /nfs/dbraw/zinc/78/46/99/496784699.db2.gz WMYQTBIOJASKRK-JTQLQIEISA-N -1 3 364.402 3.103 20 0 FGADHM O=S(=O)([N-][C@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1ccc(F)c(F)c1 ZINC000273390382 496792127 /nfs/dbraw/zinc/79/21/27/496792127.db2.gz DBTYYEPPIZIZSB-SUMWQHHRSA-N -1 3 371.380 3.303 20 0 FGADHM CCc1ccc(C(=O)N(C)[C@@H]2CCN(c3ccccc3Cl)C2=O)c([O-])c1 ZINC000191520596 496795744 /nfs/dbraw/zinc/79/57/44/496795744.db2.gz OEVHRUJTNHZAQU-QGZVFWFLSA-N -1 3 372.852 3.486 20 0 FGADHM C[C@@H]1CCCN(Cc2csc(NC([O-])=NOCc3cccnc3)n2)C1 ZINC000273402286 496796095 /nfs/dbraw/zinc/79/60/95/496796095.db2.gz IWSZDEOBIAYBKP-CYBMUJFWSA-N -1 3 361.471 3.023 20 0 FGADHM C[C@@H]1CCCN(Cc2csc(NC(=O)[N-]OCc3cccnc3)n2)C1 ZINC000273402286 496796099 /nfs/dbraw/zinc/79/60/99/496796099.db2.gz IWSZDEOBIAYBKP-CYBMUJFWSA-N -1 3 361.471 3.023 20 0 FGADHM COc1cc(C)c([N-]S(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)cc1C ZINC000277517553 496800344 /nfs/dbraw/zinc/80/03/44/496800344.db2.gz FBRRVWBVWGXEPR-UHFFFAOYSA-N -1 3 374.462 3.022 20 0 FGADHM CCOc1ccccc1NC([O-])=NOC[C@H](C)NC(=O)OC(C)(C)C ZINC000273437007 496806131 /nfs/dbraw/zinc/80/61/31/496806131.db2.gz QHEPQXFXFBESSD-LBPRGKRZSA-N -1 3 353.419 3.052 20 0 FGADHM CCOc1ccccc1NC(=O)[N-]OC[C@H](C)NC(=O)OC(C)(C)C ZINC000273437007 496806136 /nfs/dbraw/zinc/80/61/36/496806136.db2.gz QHEPQXFXFBESSD-LBPRGKRZSA-N -1 3 353.419 3.052 20 0 FGADHM CC(C)(C)n1cc(C(=O)[N-]c2nc(-c3ccccc3Cl)ns2)nn1 ZINC000191566964 496814722 /nfs/dbraw/zinc/81/47/22/496814722.db2.gz ROFJDWKZCHAFSA-UHFFFAOYSA-N -1 3 362.846 3.457 20 0 FGADHM Cc1ccc(C(C)C)c(OCc2ccc(NC([O-])=NOCC(N)=O)cc2)c1 ZINC000273478865 496817468 /nfs/dbraw/zinc/81/74/68/496817468.db2.gz LIRSOWKAIULQCJ-UHFFFAOYSA-N -1 3 371.437 3.236 20 0 FGADHM Cc1ccc(C(C)C)c(OCc2ccc(NC(=O)[N-]OCC(N)=O)cc2)c1 ZINC000273478865 496817470 /nfs/dbraw/zinc/81/74/70/496817470.db2.gz LIRSOWKAIULQCJ-UHFFFAOYSA-N -1 3 371.437 3.236 20 0 FGADHM O=C(c1cccc2[n-]nnc21)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000188557076 496830815 /nfs/dbraw/zinc/83/08/15/496830815.db2.gz CLMOIIYQUPVREC-GFCCVEGCSA-N -1 3 367.478 3.313 20 0 FGADHM O=C(c1cccc2nn[n-]c21)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000188557076 496830821 /nfs/dbraw/zinc/83/08/21/496830821.db2.gz CLMOIIYQUPVREC-GFCCVEGCSA-N -1 3 367.478 3.313 20 0 FGADHM O=C(c1cccc2n[n-]nc21)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000188557076 496830823 /nfs/dbraw/zinc/83/08/23/496830823.db2.gz CLMOIIYQUPVREC-GFCCVEGCSA-N -1 3 367.478 3.313 20 0 FGADHM C[C@H](CON=C([O-])Nc1ccc(F)c(F)c1F)NC(=O)OC(C)(C)C ZINC000273557293 496839023 /nfs/dbraw/zinc/83/90/23/496839023.db2.gz WDPIKTARJNFJSK-MRVPVSSYSA-N -1 3 363.336 3.070 20 0 FGADHM C[C@H](CO[N-]C(=O)Nc1ccc(F)c(F)c1F)NC(=O)OC(C)(C)C ZINC000273557293 496839027 /nfs/dbraw/zinc/83/90/27/496839027.db2.gz WDPIKTARJNFJSK-MRVPVSSYSA-N -1 3 363.336 3.070 20 0 FGADHM COc1ccc(CNC[C@](C)(O)c2ccsc2)c(Br)c1[O-] ZINC000273599206 496850054 /nfs/dbraw/zinc/85/00/54/496850054.db2.gz FHWUOWIWACHACS-HNNXBMFYSA-N -1 3 372.284 3.222 20 0 FGADHM COc1ccc(CNC[C@](C)(O)c2ccccc2)c(Br)c1[O-] ZINC000273602310 496852007 /nfs/dbraw/zinc/85/20/07/496852007.db2.gz GDUARLNMPQFLPN-KRWDZBQOSA-N -1 3 366.255 3.161 20 0 FGADHM Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)s1 ZINC000273608559 496853201 /nfs/dbraw/zinc/85/32/01/496853201.db2.gz NRRXUYHJMZEHGX-ZCFIWIBFSA-N -1 3 352.268 3.193 20 0 FGADHM C[C@@H](c1nc(Cc2nc(=O)c3c(C4CC4)csc3[n-]2)no1)n1cccn1 ZINC000273669938 496870448 /nfs/dbraw/zinc/87/04/48/496870448.db2.gz BKJAOJLWMKJHFH-VIFPVBQESA-N -1 3 368.422 3.054 20 0 FGADHM O=C([N-]c1nnc(SCc2ccccc2)s1)c1cnn2ccncc12 ZINC000188675728 496873835 /nfs/dbraw/zinc/87/38/35/496873835.db2.gz HVRHGOWUUSHXLC-UHFFFAOYSA-N -1 3 368.447 3.125 20 0 FGADHM CC(=O)[C@@H]1C[C@H](CC(=O)NCc2ccc([O-])c(Br)c2)C1(C)C ZINC000273725464 496886060 /nfs/dbraw/zinc/88/60/60/496886060.db2.gz PYQMLZDNOHHWIE-OLZOCXBDSA-N -1 3 368.271 3.412 20 0 FGADHM O=C(NCCc1ccccc1O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000188774600 496905331 /nfs/dbraw/zinc/90/53/31/496905331.db2.gz NYMOSOVLHQEDQO-UHFFFAOYSA-N -1 3 361.397 3.301 20 0 FGADHM COc1ccc(CN2CCC(c3ncc[nH]3)CC2)c(Br)c1[O-] ZINC000273786519 496906976 /nfs/dbraw/zinc/90/69/76/496906976.db2.gz ULWPONAPIHVCQE-UHFFFAOYSA-N -1 3 366.259 3.266 20 0 FGADHM Cc1cc(C)cc(-c2nnc([N-]C(=O)c3cn(C(C)(C)C)nn3)s2)c1 ZINC000191844619 496908702 /nfs/dbraw/zinc/90/87/02/496908702.db2.gz SCPSLVJQIOJHPT-UHFFFAOYSA-N -1 3 356.455 3.421 20 0 FGADHM O=C(NCCCc1ccccn1)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000188819204 496917856 /nfs/dbraw/zinc/91/78/56/496917856.db2.gz ZSFCJWBBWPXUNQ-UHFFFAOYSA-N -1 3 360.413 3.381 20 0 FGADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1cccc(OCC(F)(F)F)c1 ZINC000269324925 496920038 /nfs/dbraw/zinc/92/00/38/496920038.db2.gz UWRMULXXIGDEJF-UHFFFAOYSA-N -1 3 354.210 3.017 20 0 FGADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1cccc(OCC(F)(F)F)c1 ZINC000269324925 496920043 /nfs/dbraw/zinc/92/00/43/496920043.db2.gz UWRMULXXIGDEJF-UHFFFAOYSA-N -1 3 354.210 3.017 20 0 FGADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1cc(Br)c(F)cc1F ZINC000191959835 496944668 /nfs/dbraw/zinc/94/46/68/496944668.db2.gz DXYGBSCMQFDIBI-UHFFFAOYSA-N -1 3 371.063 3.117 20 0 FGADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1cc(Br)c(F)cc1F ZINC000191959835 496944674 /nfs/dbraw/zinc/94/46/74/496944674.db2.gz DXYGBSCMQFDIBI-UHFFFAOYSA-N -1 3 371.063 3.117 20 0 FGADHM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1cc(Br)c(F)cc1F ZINC000191959835 496944679 /nfs/dbraw/zinc/94/46/79/496944679.db2.gz DXYGBSCMQFDIBI-UHFFFAOYSA-N -1 3 371.063 3.117 20 0 FGADHM CN(CCc1ccncc1)C(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000188963695 496961307 /nfs/dbraw/zinc/96/13/07/496961307.db2.gz KMXXQGXMSHWKLA-UHFFFAOYSA-N -1 3 360.413 3.333 20 0 FGADHM O=C([N-]c1cnns1)C(=O)NCc1ccccc1-c1ccc(Cl)cc1 ZINC000192008659 496962834 /nfs/dbraw/zinc/96/28/34/496962834.db2.gz KTIUTKGBLBLDEA-UHFFFAOYSA-N -1 3 372.837 3.113 20 0 FGADHM COc1cc(C)cc(-c2nc(CC(=O)N(C)C3CCCCC3)no2)c1[O-] ZINC000278004931 496968572 /nfs/dbraw/zinc/96/85/72/496968572.db2.gz WUAUVXQIOSVOOE-UHFFFAOYSA-N -1 3 359.426 3.093 20 0 FGADHM CCc1nc2c(s1)[C@H](N(C)C(=O)c1cc(F)cc3[n-]nnc31)CCC2 ZINC000278006115 496969645 /nfs/dbraw/zinc/96/96/45/496969645.db2.gz DQLPGUXVARIBRN-CYBMUJFWSA-N -1 3 359.430 3.266 20 0 FGADHM CCc1nc2c(s1)[C@H](N(C)C(=O)c1cc(F)cc3nn[n-]c31)CCC2 ZINC000278006115 496969650 /nfs/dbraw/zinc/96/96/50/496969650.db2.gz DQLPGUXVARIBRN-CYBMUJFWSA-N -1 3 359.430 3.266 20 0 FGADHM CCc1nc2c(s1)[C@H](N(C)C(=O)c1cc(F)cc3n[n-]nc31)CCC2 ZINC000278006115 496969657 /nfs/dbraw/zinc/96/96/57/496969657.db2.gz DQLPGUXVARIBRN-CYBMUJFWSA-N -1 3 359.430 3.266 20 0 FGADHM CS(=O)(=O)Nc1cccc(NC(=O)c2cc([O-])ccc2C(F)(F)F)c1 ZINC000189016455 496979400 /nfs/dbraw/zinc/97/94/00/496979400.db2.gz PWOOXRFOEOAALX-UHFFFAOYSA-N -1 3 374.340 3.035 20 0 FGADHM COc1cccc(OC)c1OCc1noc(-c2cc(C)cc(OC)c2[O-])n1 ZINC000273998983 496987586 /nfs/dbraw/zinc/98/75/86/496987586.db2.gz NKGGYMFUHBEYSF-UHFFFAOYSA-N -1 3 372.377 3.355 20 0 FGADHM Cc1csc(N2CCN(C(=O)c3cc([O-])ccc3C(F)(F)F)CC2)n1 ZINC000189061590 496995092 /nfs/dbraw/zinc/99/50/92/496995092.db2.gz CGWOQMZXXAWSED-UHFFFAOYSA-N -1 3 371.384 3.138 20 0 FGADHM CN(CCOc1ccc(C(F)(F)F)cc1)C(=O)c1ccc(O)cc1[O-] ZINC000189069732 496998807 /nfs/dbraw/zinc/99/88/07/496998807.db2.gz UZFWSHWZRLCXMP-UHFFFAOYSA-N -1 3 355.312 3.268 20 0 FGADHM CCCN(CC(=O)Nc1ccccc1OC)C(=O)c1ccc(CC)cc1[O-] ZINC000189075572 497000601 /nfs/dbraw/zinc/00/06/01/497000601.db2.gz VNPGOEGVNXNFIU-UHFFFAOYSA-N -1 3 370.449 3.454 20 0 FGADHM COc1cc(C(=O)NCCCO[C@H](C)c2ccccc2)cc(OC)c1[O-] ZINC000269949547 497029668 /nfs/dbraw/zinc/02/96/68/497029668.db2.gz PRFZNDJEZPVNPP-CQSZACIVSA-N -1 3 359.422 3.307 20 0 FGADHM CCOc1cc(CN2CCC[C@H](N3CCCC3=O)CC2)cc(Cl)c1[O-] ZINC000574904382 505880371 /nfs/dbraw/zinc/88/03/71/505880371.db2.gz JDZZGAIUSRAPMU-HNNXBMFYSA-N -1 3 366.889 3.421 20 0 FGADHM COCCCCC[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000192201150 497031133 /nfs/dbraw/zinc/03/11/33/497031133.db2.gz HADUFCXFVHFPGK-UHFFFAOYSA-N -1 3 370.696 3.198 20 0 FGADHM CC(=O)Nc1ccc(NC([O-])=NO[C@@H]2CCCCO2)c(C(F)(F)F)c1 ZINC000274181123 497035167 /nfs/dbraw/zinc/03/51/67/497035167.db2.gz KJBWGNUVQGZAKI-CYBMUJFWSA-N -1 3 361.320 3.244 20 0 FGADHM CC(=O)Nc1ccc(NC(=O)[N-]O[C@@H]2CCCCO2)c(C(F)(F)F)c1 ZINC000274181123 497035172 /nfs/dbraw/zinc/03/51/72/497035172.db2.gz KJBWGNUVQGZAKI-CYBMUJFWSA-N -1 3 361.320 3.244 20 0 FGADHM O=S(=O)([N-]C[C@@H]1CCO[C@H]1c1ccccc1)c1ccc(Cl)s1 ZINC000192266450 497055338 /nfs/dbraw/zinc/05/53/38/497055338.db2.gz BMLYJMKAIPGSEI-WFASDCNBSA-N -1 3 357.884 3.458 20 0 FGADHM CC1=CCN(C(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)CC1 ZINC000270129941 497063492 /nfs/dbraw/zinc/06/34/92/497063492.db2.gz JMRSYRWFKLXXFX-UHFFFAOYSA-N -1 3 369.462 3.086 20 0 FGADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1c(F)cc(F)cc1Br ZINC000192294885 497065747 /nfs/dbraw/zinc/06/57/47/497065747.db2.gz YBWARPBVFQRTSK-SNVBAGLBSA-N -1 3 351.147 3.307 20 0 FGADHM O=C([N-]O[C@@H]1CCCCO1)Nc1c(F)cc(F)cc1Br ZINC000192294885 497065750 /nfs/dbraw/zinc/06/57/50/497065750.db2.gz YBWARPBVFQRTSK-SNVBAGLBSA-N -1 3 351.147 3.307 20 0 FGADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CC[C@@H](OCc2ccncc2)C1 ZINC000265216472 497073303 /nfs/dbraw/zinc/07/33/03/497073303.db2.gz VVNMBOVSHMTSFU-GOSISDBHSA-N -1 3 352.434 3.097 20 0 FGADHM Cn1cc(Br)c(=NC(=O)[C@H]2C[C@@H]2c2ccccc2Cl)[n-]1 ZINC000574918600 505883324 /nfs/dbraw/zinc/88/33/24/505883324.db2.gz RJCLMROVCZIYBB-ZJUUUORDSA-N -1 3 354.635 3.000 20 0 FGADHM Cc1cccc([O-])c1NC(=O)CCC(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000274367798 497080938 /nfs/dbraw/zinc/08/09/38/497080938.db2.gz CNEMKPVDDOPXMW-UHFFFAOYSA-N -1 3 352.390 3.187 20 0 FGADHM COc1ccc(Br)cc1CN1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-] ZINC000229206210 497096453 /nfs/dbraw/zinc/09/64/53/497096453.db2.gz JZJVVFXTQHTHNY-VZJVUDMVSA-N -1 3 354.244 3.143 20 0 FGADHM O=S(=O)([N-][C@H]1CC=CCC1)c1ccc(Cl)c(Br)c1 ZINC000236055734 497116060 /nfs/dbraw/zinc/11/60/60/497116060.db2.gz MBDQZRCBHUOTBI-VIFPVBQESA-N -1 3 350.665 3.490 20 0 FGADHM CCc1cnc(C[N-]S(=O)(=O)c2ccc(-c3csc(C)n3)s2)o1 ZINC000274749301 497158242 /nfs/dbraw/zinc/15/82/42/497158242.db2.gz WYJOHFXJGGMJCH-UHFFFAOYSA-N -1 3 369.493 3.209 20 0 FGADHM O=C(N[C@@H]1CCC[C@@H]2OCC[C@H]21)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000249081857 497162122 /nfs/dbraw/zinc/16/21/22/497162122.db2.gz QSUOXJUUJRAJGD-ZCNNSNEGSA-N -1 3 365.429 3.311 20 0 FGADHM CCOC(=O)c1ccsc1[N-]C(=O)C(=O)N1[C@H](C)C[C@H]2CCCC[C@H]21 ZINC000249222363 497182757 /nfs/dbraw/zinc/18/27/57/497182757.db2.gz UNWNPLQBLSLHJM-YRGRVCCFSA-N -1 3 364.467 3.043 20 0 FGADHM COc1cc(C(=O)N2C[C@@H](c3ccsc3)O[C@@H](C)C2)cc(OC)c1[O-] ZINC000270732381 497190160 /nfs/dbraw/zinc/19/01/60/497190160.db2.gz GSXWWWCHEPHLJC-ZBEGNZNMSA-N -1 3 363.435 3.073 20 0 FGADHM CCc1nc([N-]C(=O)c2ncsc2C(F)(F)F)sc1C(=O)OC ZINC000278721693 497200690 /nfs/dbraw/zinc/20/06/90/497200690.db2.gz KSCAYLZIPNLBGY-UHFFFAOYSA-N -1 3 365.358 3.220 20 0 FGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@H]1CCCc2sccc21 ZINC000189674736 497206344 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[O-]C(=NOC[C@@H]1CCOC1)Nc1cc(Cl)ccc1OC(F)(F)F ZINC000296709319 498163568 /nfs/dbraw/zinc/16/35/68/498163568.db2.gz ASHPYBRRNVSGGV-MRVPVSSYSA-N -1 3 354.712 3.328 20 0 FGADHM O=C([N-]OC[C@@H]1CCOC1)Nc1cc(Cl)ccc1OC(F)(F)F ZINC000296709319 498163572 /nfs/dbraw/zinc/16/35/72/498163572.db2.gz ASHPYBRRNVSGGV-MRVPVSSYSA-N -1 3 354.712 3.328 20 0 FGADHM C[C@H]1COCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000285667387 498165415 /nfs/dbraw/zinc/16/54/15/498165415.db2.gz PMQFMJATPMIUSD-GZMMTYOYSA-N -1 3 357.781 3.062 20 0 FGADHM FC(F)(F)c1ccc(CN2CC[C@@H](N=c3[n-]nc(C4CC4)o3)C2)cc1 ZINC000578656849 505990949 /nfs/dbraw/zinc/99/09/49/505990949.db2.gz PDOCXVTVWSHURW-CQSZACIVSA-N -1 3 352.360 3.074 20 0 FGADHM CC[C@@H](CNC(=O)c1c[n-]nc1-c1ccccn1)Oc1ccccc1F ZINC000572534477 505991637 /nfs/dbraw/zinc/99/16/37/505991637.db2.gz DSNDKSXHPAKPSB-ZDUSSCGKSA-N -1 3 354.385 3.198 20 0 FGADHM C[C@@H]1CC[C@H](c2nc(Cc3nc(=O)c4c(C5CC5)csc4[n-]3)no2)O1 ZINC000351140736 498184940 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COCC[C@H]([N-]S(=O)(=O)Cc1ccc(Cl)c(F)c1)c1ccco1 ZINC000281615972 498215529 /nfs/dbraw/zinc/21/55/29/498215529.db2.gz ZOWDDXLDXMBVAO-AWEZNQCLSA-N -1 3 361.822 3.269 20 0 FGADHM COC(=O)c1ccc(C(=O)Nc2cccc(Cn3ccnc3C(C)C)c2)[n-]1 ZINC000292972780 498218396 /nfs/dbraw/zinc/21/83/96/498218396.db2.gz IOJWBWOXNYQCSU-UHFFFAOYSA-N -1 3 366.421 3.422 20 0 FGADHM CC(C)Oc1cc(Br)cc(NC([O-])=NOCC(C)(C)O)c1 ZINC000285869505 498225318 /nfs/dbraw/zinc/22/53/18/498225318.db2.gz RGSNCCOKEKMZJX-UHFFFAOYSA-N -1 3 361.236 3.060 20 0 FGADHM CC(C)Oc1cc(Br)cc(NC(=O)[N-]OCC(C)(C)O)c1 ZINC000285869505 498225322 /nfs/dbraw/zinc/22/53/22/498225322.db2.gz RGSNCCOKEKMZJX-UHFFFAOYSA-N -1 3 361.236 3.060 20 0 FGADHM COCc1ccc(OC)c(S(=O)(=O)[N-][C@@H](c2ccccc2)C(F)F)c1 ZINC000293090660 498264550 /nfs/dbraw/zinc/26/45/50/498264550.db2.gz VPKUIEZCAFVQMF-INIZCTEOSA-N -1 3 371.405 3.126 20 0 FGADHM C[C@@H]([N-]c1nc(-c2cc(Cl)cc(Cl)c2)no1)[C@H]1CN(C)CCO1 ZINC000301799831 498268592 /nfs/dbraw/zinc/26/85/92/498268592.db2.gz 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O=C(Nc1cccc([C@H]2CCC(=O)N2)c1)c1ccc2c(c1[O-])CCCC2 ZINC000572609766 506010720 /nfs/dbraw/zinc/01/07/20/506010720.db2.gz JXNIEDMURFKPIA-GOSISDBHSA-N -1 3 350.418 3.474 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCO[C@@H](c4ccc(C)o4)C3)nc2)n1 ZINC000301849604 498293419 /nfs/dbraw/zinc/29/34/19/498293419.db2.gz OQXURUSLWFDNIK-QGZVFWFLSA-N -1 3 366.421 3.286 20 0 FGADHM Cc1cccc([C@@H](C)N2CCC[C@@H](c3n[nH]cc3[N-]S(C)(=O)=O)C2)c1 ZINC000360660934 498294294 /nfs/dbraw/zinc/29/42/94/498294294.db2.gz IBZCESWHFNIZAI-GDBMZVCRSA-N -1 3 362.499 3.030 20 0 FGADHM CC(F)(F)c1ccc(C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000293277554 498330039 /nfs/dbraw/zinc/33/00/39/498330039.db2.gz GOTGLXXEWYYXTH-UHFFFAOYSA-N -1 3 374.387 3.102 20 0 FGADHM O=c1nc(CN2CCC[C@@H](O)CC2)[n-]c2sc(-c3ccccc3)cc21 ZINC000293317153 498343983 /nfs/dbraw/zinc/34/39/83/498343983.db2.gz XJLWNKXJYHJRIF-CQSZACIVSA-N -1 3 355.463 3.411 20 0 FGADHM CC[C@H](C)CO[N-]C(=O)Nc1cccc(CS(=O)(=O)C(C)(C)C)c1 ZINC000293382880 498365758 /nfs/dbraw/zinc/36/57/58/498365758.db2.gz PVMILABZDYHZID-ZDUSSCGKSA-N -1 3 356.488 3.499 20 0 FGADHM Cc1ccccc1C1(O)CCN(C(=O)Cc2ccc([O-])cc2Cl)CC1 ZINC000361292511 498370961 /nfs/dbraw/zinc/37/09/61/498370961.db2.gz GIBUBXXJSJVSBN-UHFFFAOYSA-N -1 3 359.853 3.407 20 0 FGADHM C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)CC(=O)N1CCC(C(=O)[O-])CC1 ZINC000569818588 506023630 /nfs/dbraw/zinc/02/36/30/506023630.db2.gz UYCJODCFSHPITD-KBPBESRZSA-N -1 3 366.889 3.087 20 0 FGADHM CC1(C)CC[C@@H](NC(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)C1 ZINC000331596864 498387289 /nfs/dbraw/zinc/38/72/89/498387289.db2.gz HYZNEWOKTMRYLL-OAHLLOKOSA-N -1 3 359.470 3.331 20 0 FGADHM CO[C@H](C)CS(=O)(=O)[N-]c1cc(C(=O)Nc2ccccc2)ccc1C ZINC000282143653 498399724 /nfs/dbraw/zinc/39/97/24/498399724.db2.gz DWJZWTCFGRCPNM-CQSZACIVSA-N -1 3 362.451 3.024 20 0 FGADHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]Cc1ccc(C(F)F)cc1 ZINC000290043590 498406661 /nfs/dbraw/zinc/40/66/61/498406661.db2.gz ZVVXWSKUUPEQDG-UHFFFAOYSA-N -1 3 373.377 3.099 20 0 FGADHM C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCN2C(=O)c2c[n-]c3ccccc3c2=O)C1 ZINC000282172287 498411052 /nfs/dbraw/zinc/41/10/52/498411052.db2.gz RJFAGYAQEAITIK-LRHNDGHRSA-N -1 3 354.450 3.342 20 0 FGADHM COC[C@@H]1CCCN(C(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)CC1 ZINC000578838681 506033095 /nfs/dbraw/zinc/03/30/95/506033095.db2.gz ZJWOPLHPKHKIIK-OAHLLOKOSA-N -1 3 370.453 3.438 20 0 FGADHM c1ccc(Oc2cnc(-c3nc(-c4ccc5n[n-]nc5c4)no3)cn2)cc1 ZINC000581642706 506034448 /nfs/dbraw/zinc/03/44/48/506034448.db2.gz HKXOZNZIQCFJIM-UHFFFAOYSA-N -1 3 357.333 3.257 20 0 FGADHM Cc1cn2c(n1)[C@H](C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)CCC2 ZINC000331761768 498445028 /nfs/dbraw/zinc/44/50/28/498445028.db2.gz FCGUUYXOZCAMLM-NSHDSACASA-N -1 3 374.293 3.354 20 0 FGADHM CCOc1cc(CN2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)cc(Cl)c1[O-] ZINC000297463395 498458547 /nfs/dbraw/zinc/45/85/47/498458547.db2.gz QHHIAIHRMAKBEZ-LSDHHAIUSA-N -1 3 374.868 3.225 20 0 FGADHM Cc1ccccc1[C@@H]([C@H](C)N=c1[n-]nc(-c2ccccn2)s1)N(C)C ZINC000569881541 506037919 /nfs/dbraw/zinc/03/79/19/506037919.db2.gz DRSAWLOKJHSUDX-WMLDXEAASA-N -1 3 353.495 3.434 20 0 FGADHM C[C@H]1Oc2cc(F)ccc2[C@@H]1[N-]S(=O)(=O)Cc1ccc(F)cc1F ZINC000572747659 506042705 /nfs/dbraw/zinc/04/27/05/506042705.db2.gz YZSAWOBRVSQALF-JDNHERCYSA-N -1 3 357.353 3.046 20 0 FGADHM CCC[C@H](C(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1)c1ccccc1 ZINC000290329260 498510013 /nfs/dbraw/zinc/51/00/13/498510013.db2.gz JHYWVKCTWBNMMJ-HOCLYGCPSA-N -1 3 370.415 3.487 20 0 FGADHM O=C(c1ccc(-c2ccccc2Cl)o1)N1CCc2c(=O)[n-]cnc2C1 ZINC000575976995 506046939 /nfs/dbraw/zinc/04/69/39/506046939.db2.gz LENBSAIYTJEZFW-UHFFFAOYSA-N -1 3 355.781 3.294 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H](C)[C@H](O)c3ccc(F)cc3)nc2)n1 ZINC000302655350 498524108 /nfs/dbraw/zinc/52/41/08/498524108.db2.gz KTESXXUBNUTIJB-BLVKFPJESA-N -1 3 368.412 3.480 20 0 FGADHM CN(C)C[C@@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1ccc(F)cc1 ZINC000578908079 506049033 /nfs/dbraw/zinc/04/90/33/506049033.db2.gz AWICCUSMVLXZLM-GOSISDBHSA-N -1 3 362.420 3.412 20 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CC(C)[C@@H](O)C1(C[N-]S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000332191364 498595623 /nfs/dbraw/zinc/59/56/23/498595623.db2.gz ZJAWMNXIHBIKGT-CYBMUJFWSA-N -1 3 352.283 3.069 20 0 FGADHM Cc1cncc(-c2cc(=NC(=O)c3cc4cc(Cl)ccn4n3)[n-]o2)c1 ZINC000365682784 498595744 /nfs/dbraw/zinc/59/57/44/498595744.db2.gz WAXAVUZUXSEELQ-UHFFFAOYSA-N -1 3 353.769 3.020 20 0 FGADHM CC(C)N(C)C[C@@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000576031746 506060286 /nfs/dbraw/zinc/06/02/86/506060286.db2.gz NHBLALUNIABEIY-SNVBAGLBSA-N -1 3 372.840 3.366 20 0 FGADHM CCOc1ccc(Cl)cc1CC[N-]S(=O)(=O)c1cn(C(C)C)cn1 ZINC000569979755 506060889 /nfs/dbraw/zinc/06/08/89/506060889.db2.gz YAORBQULNGJTIZ-UHFFFAOYSA-N -1 3 371.890 3.037 20 0 FGADHM CCOc1cc(CN2CC[C@@](C)(COC)C2)cc(Br)c1[O-] ZINC000294162560 498607265 /nfs/dbraw/zinc/60/72/65/498607265.db2.gz IOZOLIIVBOEAQL-MRXNPFEDSA-N -1 3 358.276 3.412 20 0 FGADHM Cc1ccc([C@@H]2C[C@H](C)N(C(=O)N=c3cc(OC(F)F)n(C)[n-]3)C2)cc1 ZINC000332224732 498608172 /nfs/dbraw/zinc/60/81/72/498608172.db2.gz ZJBQVSDNSJCSHR-GXTWGEPZSA-N -1 3 364.396 3.162 20 0 FGADHM C[C@H](c1ccc(F)cc1)N1CCC[C@@H](NC(=O)c2cccc([O-])c2)C1=O ZINC000294186680 498614309 /nfs/dbraw/zinc/61/43/09/498614309.db2.gz NFIBZFDWFCQBLX-FZKQIMNGSA-N -1 3 356.397 3.013 20 0 FGADHM Cc1c(-c2ccncc2)[n-][nH]c1=NC(=O)[C@H](C)CCOc1ccccc1 ZINC000365732197 498617330 /nfs/dbraw/zinc/61/73/30/498617330.db2.gz NWOCDHYQUAZVCE-CQSZACIVSA-N -1 3 350.422 3.246 20 0 FGADHM Cc1c(-c2ccncc2)[n-][nH]c1=NC(=O)[C@@H](C)CCOc1ccccc1 ZINC000365732196 498617459 /nfs/dbraw/zinc/61/74/59/498617459.db2.gz NWOCDHYQUAZVCE-AWEZNQCLSA-N -1 3 350.422 3.246 20 0 FGADHM O=c1nc(CCCNc2ccnc3ccc(Oc4ccccc4)cc32)[nH][n-]1 ZINC000302894659 498619248 /nfs/dbraw/zinc/61/92/48/498619248.db2.gz OPHOGCFLRWORJI-UHFFFAOYSA-N -1 3 361.405 3.483 20 0 FGADHM COc1cc(C(=O)NC2(Cc3ccc(F)cc3)CCOCC2)ccc1[O-] ZINC000294253459 498634674 /nfs/dbraw/zinc/63/46/74/498634674.db2.gz HIPREIGQTKXMLE-UHFFFAOYSA-N -1 3 359.397 3.062 20 0 FGADHM COCCN1C(=O)CCc2cc(NC(=O)c3cc([O-])ccc3Cl)ccc21 ZINC000290661368 498637864 /nfs/dbraw/zinc/63/78/64/498637864.db2.gz GEWYJEWXDYWJDJ-UHFFFAOYSA-N -1 3 374.824 3.224 20 0 FGADHM CCc1nc([C@H]2CCCN(Cc3cc(=O)oc4c(C)c([O-])ccc34)C2)no1 ZINC000363089322 498644115 /nfs/dbraw/zinc/64/41/15/498644115.db2.gz CVKYWAWZAALCNG-ZDUSSCGKSA-N -1 3 369.421 3.132 20 0 FGADHM CCCn1c(=O)[n-]c(=O)c2c(C(=O)N[C@H](C)[C@@H](C)CC)cc(C(C)C)nc21 ZINC000303057904 498644558 /nfs/dbraw/zinc/64/45/58/498644558.db2.gz ZPTXSDRHBHSHIW-QWHCGFSZSA-N -1 3 374.485 3.195 20 0 FGADHM C[C@]1(NC(=O)c2ccc([N-]S(C)(=O)=O)cc2)CCCc2ccccc21 ZINC000332317636 498647106 /nfs/dbraw/zinc/64/71/06/498647106.db2.gz IYTVMJASJPNEEJ-IBGZPJMESA-N -1 3 358.463 3.040 20 0 FGADHM Cc1nc(C)c(CCC(=O)NC[C@@H](C)Oc2ccc(C(C)C)cc2)c(=O)[n-]1 ZINC000287154373 498651607 /nfs/dbraw/zinc/65/16/07/498651607.db2.gz RTCXKIVASPQCGH-CQSZACIVSA-N -1 3 371.481 3.439 20 0 FGADHM CCS(=O)(=O)Nc1ccc(NCc2c(F)ccc([O-])c2F)cc1OC ZINC000294359123 498669719 /nfs/dbraw/zinc/66/97/19/498669719.db2.gz SZGWKTCTBQYIRR-UHFFFAOYSA-N -1 3 372.393 3.053 20 0 FGADHM Cc1ccc(CCC(=O)NC2CCN(C(=O)c3cccc([O-])c3)CC2)s1 ZINC000365852350 498670521 /nfs/dbraw/zinc/67/05/21/498670521.db2.gz BCCNJGCQABAMLS-UHFFFAOYSA-N -1 3 372.490 3.116 20 0 FGADHM O=C(CCc1ccc2ccccc2c1[O-])N1CCC[C@H](C2OCCO2)C1 ZINC000294385647 498677228 /nfs/dbraw/zinc/67/72/28/498677228.db2.gz CBRYXCWTRMULNK-KRWDZBQOSA-N -1 3 355.434 3.090 20 0 FGADHM CSc1ccc([C@H](CNC(=O)c2s[n-]c(=O)c2Cl)N(C)C)cc1 ZINC000294401879 498683895 /nfs/dbraw/zinc/68/38/95/498683895.db2.gz MJFOSYCHYOFRST-NSHDSACASA-N -1 3 371.915 3.257 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cnc(C4CC4)nc3)c2)n1 ZINC000294442012 498694908 /nfs/dbraw/zinc/69/49/08/498694908.db2.gz KUIPXIJZYKGRHV-UHFFFAOYSA-N -1 3 361.405 3.331 20 0 FGADHM COC(=O)c1c(C)csc1[N-]C(=O)C(=O)N(C)[C@H](C)c1ccccc1C ZINC000287271184 498696597 /nfs/dbraw/zinc/69/65/97/498696597.db2.gz AHJRVQJSOZYGBR-CYBMUJFWSA-N -1 3 374.462 3.310 20 0 FGADHM Cc1cccc(C(=O)N[C@@H]2CCN(c3ccccc3OC(F)F)C2)c1[O-] ZINC000303656197 498702193 /nfs/dbraw/zinc/70/21/93/498702193.db2.gz LSDFPAWRWHLOQD-CYBMUJFWSA-N -1 3 362.376 3.311 20 0 FGADHM Cc1c(Cl)cccc1C(=O)NC1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000365930399 498703780 /nfs/dbraw/zinc/70/37/80/498703780.db2.gz KWCALOZZTQPASP-UHFFFAOYSA-N -1 3 372.852 3.389 20 0 FGADHM Cc1ccc(C(=O)N[C@@H]2CCN(c3ccccc3OC(F)F)C2)c([O-])c1 ZINC000303673736 498704245 /nfs/dbraw/zinc/70/42/45/498704245.db2.gz PVPULAJMDBRSGD-CYBMUJFWSA-N -1 3 362.376 3.311 20 0 FGADHM CCOc1cc(CN[C@H](CO)c2ccccc2)cc(Br)c1[O-] ZINC000298252623 498709925 /nfs/dbraw/zinc/70/99/25/498709925.db2.gz DNLYWKCLVAXRCD-OAHLLOKOSA-N -1 3 366.255 3.377 20 0 FGADHM CCOC(=O)C(C)(C)NCc1nc(=O)c2cc(-c3ccccc3)sc2[n-]1 ZINC000298260547 498713167 /nfs/dbraw/zinc/71/31/67/498713167.db2.gz VMPWUIQAZCDSHB-UHFFFAOYSA-N -1 3 371.462 3.495 20 0 FGADHM CCc1cc(C(=O)N2CCC(C(=O)N(C)c3ccccc3)CC2)ccc1[O-] ZINC000365983924 498720467 /nfs/dbraw/zinc/72/04/67/498720467.db2.gz WPCRQGRWQNMARW-UHFFFAOYSA-N -1 3 366.461 3.470 20 0 FGADHM CCc1cc(C(=O)N2CCCN(C(=O)c3ccc(F)cc3)CC2)ccc1[O-] ZINC000365989085 498723694 /nfs/dbraw/zinc/72/36/94/498723694.db2.gz COONOYVBKXIOHF-UHFFFAOYSA-N -1 3 370.424 3.082 20 0 FGADHM O=C(CCCc1csc2ccccc12)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000294555268 498729463 /nfs/dbraw/zinc/72/94/63/498729463.db2.gz WUFYOHKEJSSGBH-ZDUSSCGKSA-N -1 3 370.478 3.042 20 0 FGADHM Cc1c(-c2ccncc2)[n-][nH]c1=NC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000363256702 498731419 /nfs/dbraw/zinc/73/14/19/498731419.db2.gz NYKJABCXAAFYOX-ZIAGYGMSSA-N -1 3 354.360 3.222 20 0 FGADHM O=S(=O)([N-]C1(C(F)(F)F)CCCCC1)c1ccc2c(c1)OCCO2 ZINC000332594713 498735469 /nfs/dbraw/zinc/73/54/69/498735469.db2.gz KQXMKDRGMKLOED-UHFFFAOYSA-N -1 3 365.373 3.001 20 0 FGADHM CCC(CC)CS(=O)(=O)[N-][C@H](C)c1nc(-c2ccccc2OC)no1 ZINC000363265085 498735605 /nfs/dbraw/zinc/73/56/05/498735605.db2.gz XBINJNGKXXBXOH-GFCCVEGCSA-N -1 3 367.471 3.162 20 0 FGADHM CCOc1cc(CNCc2c(C)nn(C)c2C)cc(Br)c1[O-] ZINC000298437768 498772038 /nfs/dbraw/zinc/77/20/38/498772038.db2.gz NIAANTJEQKUUFR-UHFFFAOYSA-N -1 3 368.275 3.194 20 0 FGADHM COc1ccc(CN2CC[C@](C(=O)[O-])(C(C)C)C2)c(Br)c1 ZINC000313975582 498772603 /nfs/dbraw/zinc/77/26/03/498772603.db2.gz LTONJJMGCCLCKB-MRXNPFEDSA-N -1 3 356.260 3.390 20 0 FGADHM C[C@@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)c1nccn1-c1ccccc1 ZINC000366114652 498781456 /nfs/dbraw/zinc/78/14/56/498781456.db2.gz YDNXZKGPUCBACG-CQSZACIVSA-N -1 3 358.401 3.205 20 0 FGADHM C[C@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)[C@@H]1OCCc2sccc21 ZINC000294744835 498791484 /nfs/dbraw/zinc/79/14/84/498791484.db2.gz VLYQWECDXWKSDN-VOJFVSQTSA-N -1 3 354.431 3.434 20 0 FGADHM COCCS(=O)(=O)[N-][C@@H](c1nc(C(C)(C)C)cs1)c1ccccc1 ZINC000363386783 498793031 /nfs/dbraw/zinc/79/30/31/498793031.db2.gz USXUYASHANJNPO-OAHLLOKOSA-N -1 3 368.524 3.096 20 0 FGADHM COc1ccc(-c2nc(CN[C@@H](C)[C@@H](C)C(=O)[O-])cs2)cc1OC ZINC000576166591 506092472 /nfs/dbraw/zinc/09/24/72/506092472.db2.gz VCICLZZOVLBDER-MNOVXSKESA-N -1 3 350.440 3.026 20 0 FGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]C(C1CCC1)C1CCC1 ZINC000324693980 498830416 /nfs/dbraw/zinc/83/04/16/498830416.db2.gz UZMBAZYWMJBLSF-UHFFFAOYSA-N -1 3 357.497 3.090 20 0 FGADHM Cc1ccc(CNC(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)s1 ZINC000298641006 498836706 /nfs/dbraw/zinc/83/67/06/498836706.db2.gz BENMPKDNTCXGGX-UHFFFAOYSA-N -1 3 373.478 3.322 20 0 FGADHM COc1ccc([C@@H](O)C2CCN(C(=O)c3cc(C)ccc3[O-])CC2)cc1 ZINC000291196262 498838219 /nfs/dbraw/zinc/83/82/19/498838219.db2.gz JWAHFDMIDRGNEH-HXUWFJFHSA-N -1 3 355.434 3.295 20 0 FGADHM CSc1cccc(NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)c1 ZINC000298655004 498840667 /nfs/dbraw/zinc/84/06/67/498840667.db2.gz AOVOVVBZPFBGRE-UHFFFAOYSA-N -1 3 371.462 3.104 20 0 FGADHM Cc1ncc(C(=O)[N-]c2nnc(-c3nccn3C)s2)c(Cl)c1Cl ZINC000363485547 498844943 /nfs/dbraw/zinc/84/49/43/498844943.db2.gz AHMXFQSNQMLUOA-UHFFFAOYSA-N -1 3 369.237 3.201 20 0 FGADHM O=C(Nc1nnc(C2CCOCC2)s1)c1cc2c(cc1[O-])CCCC2 ZINC000579161761 506106984 /nfs/dbraw/zinc/10/69/84/506106984.db2.gz ZVMHIDOXRWWQET-UHFFFAOYSA-N -1 3 359.451 3.269 20 0 FGADHM CCCOc1ccc(OCCN2CC[C@](C(=O)[O-])(C(F)(F)F)C2)cc1 ZINC000327386820 498857237 /nfs/dbraw/zinc/85/72/37/498857237.db2.gz XBYLRMUJSKGULH-INIZCTEOSA-N -1 3 361.360 3.193 20 0 FGADHM C[C@H]1CCC[C@@]1(O)C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000328232122 498867070 /nfs/dbraw/zinc/86/70/70/498867070.db2.gz DMSGFXIEASJQTQ-TVQRCGJNSA-N -1 3 371.808 3.188 20 0 FGADHM Cc1nnc([C@@H](NC(=O)c2cc([O-])c3ccccc3c2)c2ccccc2)[nH]1 ZINC000366328989 498876330 /nfs/dbraw/zinc/87/63/30/498876330.db2.gz RAVZHLRBABBBLA-IBGZPJMESA-N -1 3 358.401 3.491 20 0 FGADHM COc1ccc(CNCCc2ncccc2C)c(Br)c1[O-] ZINC000295002083 498876512 /nfs/dbraw/zinc/87/65/12/498876512.db2.gz LMLYTJMBLAJSIB-UHFFFAOYSA-N -1 3 351.244 3.199 20 0 FGADHM O=c1cc(CSc2nc3ccccc3c(=O)n2C2CCCC2)occ1[O-] ZINC000298868925 498902596 /nfs/dbraw/zinc/90/25/96/498902596.db2.gz UGBICZMZADYHMA-UHFFFAOYSA-N -1 3 370.430 3.463 20 0 FGADHM O=C(c1ccc([O-])cc1)N1CCN(C(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)CC1 ZINC000333119317 498904877 /nfs/dbraw/zinc/90/48/77/498904877.db2.gz ZMDVTVPSYJJDMA-LSTHTHJFSA-N -1 3 370.493 3.283 20 0 FGADHM Cc1cnn(C2CCN(Cc3cc(=O)oc4c(C)c([O-])ccc34)CC2)c1 ZINC000363658455 498927248 /nfs/dbraw/zinc/92/72/48/498927248.db2.gz PQCYJGOQMOHIED-UHFFFAOYSA-N -1 3 353.422 3.149 20 0 FGADHM Cc1nc(C2CCCCC2)sc1C(=O)N1CCc2c(nc[n-]c2=O)C1 ZINC000570199282 506113360 /nfs/dbraw/zinc/11/33/60/506113360.db2.gz PIPFVROPMITMGI-UHFFFAOYSA-N -1 3 358.467 3.193 20 0 FGADHM C[C@H]1C[C@@H](N=c2[n-]nc(-c3ccon3)s2)CCN1Cc1ccccc1 ZINC000573078095 506113426 /nfs/dbraw/zinc/11/34/26/506113426.db2.gz WXNMYQCPSISYGZ-ZFWWWQNUSA-N -1 3 355.467 3.080 20 0 FGADHM Cc1cc([C@@H]2CCCN(C(=O)c3cc(Br)ccc3[O-])C2)n[nH]1 ZINC000283612563 498937354 /nfs/dbraw/zinc/93/73/54/498937354.db2.gz RDDONTNKQUHUOE-LLVKDONJSA-N -1 3 364.243 3.206 20 0 FGADHM O=C(NCc1ccc(N2CCCCC2)nc1)c1c[n-]c2ccccc2c1=O ZINC000299006826 498939303 /nfs/dbraw/zinc/93/93/03/498939303.db2.gz KKBNBFBNGCRMDE-UHFFFAOYSA-N -1 3 362.433 3.256 20 0 FGADHM O=C(c1cc([O-])ccc1C(F)(F)F)N1CC[C@H](n2cc(Cl)cn2)C1 ZINC000291462056 498950264 /nfs/dbraw/zinc/95/02/64/498950264.db2.gz DILZKLSPFHAOAR-JTQLQIEISA-N -1 3 359.735 3.348 20 0 FGADHM O=C1CC[C@@H]([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)[C@@H](C2CC2)N1 ZINC000328869522 498966970 /nfs/dbraw/zinc/96/69/70/498966970.db2.gz HPTRQINSSFJQAV-TZMCWYRMSA-N -1 3 363.266 3.169 20 0 FGADHM O=C([N-][C@@H](C1CC1)C(F)(F)F)C(=O)Nc1c(F)cc(Cl)cc1F ZINC000288229733 498972708 /nfs/dbraw/zinc/97/27/08/498972708.db2.gz AMEHPTDZJMJGSY-JTQLQIEISA-N -1 3 356.678 3.014 20 0 FGADHM CC[C@@H]([N-]S(=O)(=O)Cc1cc(C(C)(C)C)on1)c1c(C)noc1C ZINC000328889711 498974989 /nfs/dbraw/zinc/97/49/89/498974989.db2.gz RBADGSWVXRKCCZ-CYBMUJFWSA-N -1 3 355.460 3.148 20 0 FGADHM COc1ccc(C(C)(C)C(=O)N=c2[nH][n-]c(-c3ccncc3)c2C)cc1 ZINC000363790988 498993275 /nfs/dbraw/zinc/99/32/75/498993275.db2.gz BGDAPSYAOBTDCI-UHFFFAOYSA-N -1 3 350.422 3.127 20 0 FGADHM O=S(=O)(C[C@@H]1CCCC1(F)F)[N-]C1(c2nccs2)CCCC1 ZINC000333379912 498995571 /nfs/dbraw/zinc/99/55/71/498995571.db2.gz FJMDNBBHWCNDBU-NSHDSACASA-N -1 3 350.456 3.267 20 0 FGADHM C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)CN1C[C@@H](C(=O)[O-])CC[C@H]1C ZINC000582062645 506124516 /nfs/dbraw/zinc/12/45/16/506124516.db2.gz SQWSNNTTZWSLKZ-IPYPFGDCSA-N -1 3 352.862 3.045 20 0 FGADHM Cc1nc(C2([N-]S(=O)(=O)CCC3CCCCC3)CCCCC2)no1 ZINC000333460163 499009781 /nfs/dbraw/zinc/00/97/81/499009781.db2.gz ULMMSYVAQYGIOL-UHFFFAOYSA-N -1 3 355.504 3.427 20 0 FGADHM COCCOC[C@@H]1CCN([C@H](C(=O)[O-])c2cccc(Cl)c2Cl)C1 ZINC000582067869 506126394 /nfs/dbraw/zinc/12/63/94/506126394.db2.gz NBINXCJWNLDIKN-ABAIWWIYSA-N -1 3 362.253 3.104 20 0 FGADHM CN(C)C[C@H](CNC(=O)c1s[n-]c(=O)c1Cl)c1ccc(Cl)cc1 ZINC000579248306 506128860 /nfs/dbraw/zinc/12/88/60/506128860.db2.gz ODASEEAUMPHQMR-JTQLQIEISA-N -1 3 374.293 3.231 20 0 FGADHM CCc1ccc([O-])c(C(=O)N2CCC3(C[C@H]3C(=O)N3CCCCC3)CC2)c1 ZINC000329127862 499050384 /nfs/dbraw/zinc/05/03/84/499050384.db2.gz VASIBQMMFBLXEV-SFHVURJKSA-N -1 3 370.493 3.209 20 0 FGADHM O=S(=O)(CC1CC(F)(F)C1)[N-][C@@H](c1nccs1)c1ccccc1 ZINC000295607095 499061868 /nfs/dbraw/zinc/06/18/68/499061868.db2.gz CUOJVUUZKBSKAT-CYBMUJFWSA-N -1 3 358.435 3.197 20 0 FGADHM Cc1sc(-c2ccco2)nc1C(=O)[N-]c1nnc(-c2nccn2C)s1 ZINC000366840415 499090887 /nfs/dbraw/zinc/09/08/87/499090887.db2.gz NMVIAGOQJRZNTD-UHFFFAOYSA-N -1 3 372.435 3.216 20 0 FGADHM Cc1cc(C(=O)N2CCCC[C@H]2c2nnc([C@H]3CCCO3)o2)ccc1[O-] ZINC000291965973 499112880 /nfs/dbraw/zinc/11/28/80/499112880.db2.gz VRTWOEGKSXUCKB-GOEBONIOSA-N -1 3 357.410 3.303 20 0 FGADHM C[C@@H](NCc1ncc(-c2cccc(Br)c2)o1)[C@H](C)C(=O)[O-] ZINC000570286698 506133160 /nfs/dbraw/zinc/13/31/60/506133160.db2.gz MRJACIOOQCFKEH-VHSXEESVSA-N -1 3 353.216 3.303 20 0 FGADHM CC[C@H]1CC[C@H](C(=O)NC2CCN(C(=O)c3cccc([O-])c3)CC2)CC1 ZINC000372642011 499156451 /nfs/dbraw/zinc/15/64/51/499156451.db2.gz UXRSJZLEKTVIBH-WKILWMFISA-N -1 3 358.482 3.329 20 0 FGADHM CCc1ccc(C(=O)N2CCC[C@H]2c2ccc(CNC(C)=O)o2)c([O-])c1 ZINC000372735793 499167957 /nfs/dbraw/zinc/16/79/57/499167957.db2.gz GTBIHQGSVHXBFO-KRWDZBQOSA-N -1 3 356.422 3.161 20 0 FGADHM CC(C)[C@H](C)N(C(=O)NC1CCN(C(=O)c2cccc([O-])c2)CC1)C1CC1 ZINC000370345591 499211776 /nfs/dbraw/zinc/21/17/76/499211776.db2.gz PERYXROHYUROJN-HNNXBMFYSA-N -1 3 373.497 3.215 20 0 FGADHM O=C(NC[C@@H]1OCCc2ccccc21)c1cc([O-])ccc1C(F)(F)F ZINC000370475201 499224070 /nfs/dbraw/zinc/22/40/70/499224070.db2.gz AZGCORUIPCQQDA-INIZCTEOSA-N -1 3 351.324 3.455 20 0 FGADHM CN1CC[C@H](CNC(=O)c2c(F)ccc([O-])c2F)[C@H]1c1cccs1 ZINC000367689240 499225165 /nfs/dbraw/zinc/22/51/65/499225165.db2.gz UNFZLEAZMYGWMJ-HWPZZCPQSA-N -1 3 352.406 3.155 20 0 FGADHM CCc1cc(NC(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)ccc1F ZINC000370569998 499232528 /nfs/dbraw/zinc/23/25/28/499232528.db2.gz VQDHFIPREFHXGE-UHFFFAOYSA-N -1 3 366.396 3.435 20 0 FGADHM O=C(Nc1ccccc1Cl)NC1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000370738675 499250267 /nfs/dbraw/zinc/25/02/67/499250267.db2.gz IBZQILVHFGVSMY-UHFFFAOYSA-N -1 3 373.840 3.472 20 0 FGADHM Cc1cccc(NC(=O)C2CCN(C(=O)c3cc([O-])ccc3Cl)CC2)n1 ZINC000367979219 499251533 /nfs/dbraw/zinc/25/15/33/499251533.db2.gz XIFVTOOVVSRAOQ-UHFFFAOYSA-N -1 3 373.840 3.240 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(N(C)[C@H](CCO)c3ccccc3)nc2)n1 ZINC000370834633 499260180 /nfs/dbraw/zinc/26/01/80/499260180.db2.gz FXYPBKFEGNCTKK-GOSISDBHSA-N -1 3 364.449 3.367 20 0 FGADHM COc1ccccc1[C@H](NC(=O)c1cc([O-])ccc1Cl)c1nccn1C ZINC000368059397 499260659 /nfs/dbraw/zinc/26/06/59/499260659.db2.gz YOLXKYBJSLQSQM-KRWDZBQOSA-N -1 3 371.824 3.307 20 0 FGADHM O=C(c1c[n-]c2c(OC(F)(F)F)cccc2c1=O)N1CC[C@@H]1C1CC1 ZINC000573198288 506141319 /nfs/dbraw/zinc/14/13/19/506141319.db2.gz DUZMKKGBKJAWOK-GFCCVEGCSA-N -1 3 352.312 3.051 20 0 FGADHM Cc1cc(Br)c([O-])c(NC(=O)[C@@H]2CCCc3nccn32)c1 ZINC000368126791 499267241 /nfs/dbraw/zinc/26/72/41/499267241.db2.gz UNRMYQXKZIJOME-LBPRGKRZSA-N -1 3 350.216 3.176 20 0 FGADHM CCc1cc(C(=O)N2CCC[C@@H]2c2nnc3n2CCCCC3)ccc1[O-] ZINC000368276044 499280609 /nfs/dbraw/zinc/28/06/09/499280609.db2.gz FZNMFODERNUMBZ-MRXNPFEDSA-N -1 3 354.454 3.250 20 0 FGADHM COc1ccc(C(F)(F)C(=O)[N-][C@@H](c2nc(C)no2)c2ccccc2)cc1 ZINC000371057420 499284649 /nfs/dbraw/zinc/28/46/49/499284649.db2.gz WXERCHSIYZVJHC-MRXNPFEDSA-N -1 3 373.359 3.384 20 0 FGADHM COc1cc(C(=O)N2CCC[C@H](Oc3ccccc3)C2)cc(OC)c1[O-] ZINC000371225505 499299861 /nfs/dbraw/zinc/29/98/61/499299861.db2.gz KHGNCOOLYRLUOO-INIZCTEOSA-N -1 3 357.406 3.093 20 0 FGADHM O=C(N[C@H]1CC12CCCCC2)NC1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000371410402 499322434 /nfs/dbraw/zinc/32/24/34/499322434.db2.gz SJYNUFZBIKWDSE-SFHVURJKSA-N -1 3 371.481 3.019 20 0 FGADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCC(Nc2ccc(F)cc2)CC1 ZINC000368961800 499350906 /nfs/dbraw/zinc/35/09/06/499350906.db2.gz LJIUAAVAEBZNNL-UHFFFAOYSA-N -1 3 365.408 3.384 20 0 FGADHM Cc1nc(-c2cnn(C)c2)oc1C(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000369018427 499357689 /nfs/dbraw/zinc/35/76/89/499357689.db2.gz LKHVIGVNWBDUPJ-LLVKDONJSA-N -1 3 352.394 3.243 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(N3CC[C@H](O)c4ccccc4C3)nc2)n1 ZINC000371810612 499367792 /nfs/dbraw/zinc/36/77/92/499367792.db2.gz RZFLKAZJEMIKHY-SFHVURJKSA-N -1 3 362.433 3.250 20 0 FGADHM Cc1ccc2[n-]cc(C(=O)N3CCC[C@H](c4nccs4)C3)c(=O)c2c1 ZINC000371810842 499367921 /nfs/dbraw/zinc/36/79/21/499367921.db2.gz SQSPKVOGLCWAJK-ZDUSSCGKSA-N -1 3 353.447 3.313 20 0 FGADHM CC[C@@H](C(=O)N=c1[nH][n-]c(-c2ccncc2)c1C)c1ccc(OC)cc1 ZINC000371813464 499368272 /nfs/dbraw/zinc/36/82/72/499368272.db2.gz ACZMZYVFANMVDE-QGZVFWFLSA-N -1 3 350.422 3.343 20 0 FGADHM C[C@@H]1c2ccccc2O[C@@H]1c1nc(-c2ccc([N-]S(C)(=O)=O)cc2)no1 ZINC000371908882 499378206 /nfs/dbraw/zinc/37/82/06/499378206.db2.gz IDUAGODYUQXACP-BZNIZROVSA-N -1 3 371.418 3.345 20 0 FGADHM O=C(NCc1ccc([O-])c(Br)c1)N1CCCO[C@@H]2CCC[C@@H]21 ZINC000372020868 499390438 /nfs/dbraw/zinc/39/04/38/499390438.db2.gz BMZRRMRWLNSUEM-DZGCQCFKSA-N -1 3 369.259 3.008 20 0 FGADHM O=C(N[C@H]1CCO[C@]2(CCOC2)C1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000369375569 499397206 /nfs/dbraw/zinc/39/72/06/499397206.db2.gz OVLJPRMCTJFUIZ-PGRDOPGGSA-N -1 3 367.445 3.051 20 0 FGADHM Cc1cn2c(n1)[C@@H](C[N-]S(=O)(=O)c1cc(C)c(F)cc1Cl)CCC2 ZINC000372131597 499401989 /nfs/dbraw/zinc/40/19/89/499401989.db2.gz HXKRXLDVBYIQTG-GFCCVEGCSA-N -1 3 371.865 3.148 20 0 FGADHM CC(C)C[C@H](C)S(=O)(=O)[N-][C@H](c1noc(C2CC2)n1)c1ccccc1 ZINC000369448003 499404105 /nfs/dbraw/zinc/40/41/05/499404105.db2.gz RWEDRBAMTRNACG-BBRMVZONSA-N -1 3 363.483 3.390 20 0 FGADHM Cc1ccc(CCc2nc(-c3ccc([N-]S(C)(=O)=O)cc3)no2)cc1 ZINC000582153727 506145488 /nfs/dbraw/zinc/14/54/88/506145488.db2.gz IIEYHYJZDRHBCU-UHFFFAOYSA-N -1 3 357.435 3.202 20 0 FGADHM CN(C(=O)c1csc(=O)[n-]1)[C@@H](c1cccnc1)c1ccc(F)cc1F ZINC000369729522 499439344 /nfs/dbraw/zinc/43/93/44/499439344.db2.gz LLIMWXKJMPGFJY-HNNXBMFYSA-N -1 3 361.373 3.384 20 0 FGADHM COCc1ccsc1C(=O)Nc1nnc(-c2c(F)cccc2F)[n-]1 ZINC000373121039 499452409 /nfs/dbraw/zinc/45/24/09/499452409.db2.gz BANSGJGHOSUVOJ-UHFFFAOYSA-N -1 3 350.350 3.210 20 0 FGADHM O=C(c1csc(=O)[n-]1)N1CCC[C@H]1Cc1ccc(Br)cc1 ZINC000373445421 499470017 /nfs/dbraw/zinc/47/00/17/499470017.db2.gz YQQOJWLRXCABKJ-LBPRGKRZSA-N -1 3 367.268 3.459 20 0 FGADHM Cc1noc(C)c1C(C)(C)C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000373726521 499485245 /nfs/dbraw/zinc/48/52/45/499485245.db2.gz GRAOESLUGFHIPU-UHFFFAOYSA-N -1 3 366.421 3.266 20 0 FGADHM C[C@@H]1CN(C(=O)c2ccc3c(c2[O-])CCCC3)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000373748690 499486177 /nfs/dbraw/zinc/48/61/77/499486177.db2.gz TVAZPCAHLTZLQS-PZPWOCDFSA-N -1 3 359.466 3.070 20 0 FGADHM COc1cc(C(=O)N2CCS[C@H](c3ccccc3)C2)cc(OC)c1[O-] ZINC000375151494 499489924 /nfs/dbraw/zinc/48/99/24/499489924.db2.gz JJIYZCMUXCYNPP-KRWDZBQOSA-N -1 3 359.447 3.340 20 0 FGADHM O=C(c1cc(OCc2ccccc2)ccc1[O-])N1CC[C@H]([C@@H]2CCOC2)C1 ZINC000378237673 499493152 /nfs/dbraw/zinc/49/31/52/499493152.db2.gz RLOPEFLVRUJINZ-ZWKOTPCHSA-N -1 3 367.445 3.470 20 0 FGADHM Cc1cn2c(n1)[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)CCC2 ZINC000378251636 499494793 /nfs/dbraw/zinc/49/47/93/499494793.db2.gz MJJUDTYQKSHNCY-NSHDSACASA-N -1 3 374.293 3.354 20 0 FGADHM Cn1ccnc1[C@@H]1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000378259123 499495406 /nfs/dbraw/zinc/49/54/06/499495406.db2.gz BUFXTTQFHBVMQB-GOSISDBHSA-N -1 3 361.445 3.346 20 0 FGADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000378285871 499497968 /nfs/dbraw/zinc/49/79/68/499497968.db2.gz AKJZWHGDTFJAGQ-HNNXBMFYSA-N -1 3 368.820 3.475 20 0 FGADHM O=C([N-]c1ncn(-c2ccccn2)n1)c1c(Cl)cc(F)cc1Cl ZINC000375406686 499514873 /nfs/dbraw/zinc/51/48/73/499514873.db2.gz WFIJHMUFCCPNNV-UHFFFAOYSA-N -1 3 352.156 3.361 20 0 FGADHM C[C@@H]1CCN(C(=O)c2ccc(C(=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000382651749 499545740 /nfs/dbraw/zinc/54/57/40/499545740.db2.gz BHSXPNPYFKNZEX-MRXNPFEDSA-N -1 3 352.434 3.121 20 0 FGADHM CN(Cc1cc(=O)oc2cc([O-])c(Cl)cc12)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000375699601 499546759 /nfs/dbraw/zinc/54/67/59/499546759.db2.gz AXTUSPFGODOYRX-AFBMGJRZSA-N -1 3 363.841 3.397 20 0 FGADHM CCC(CC)(CC(=O)NCC1(N(C)Cc2ccccc2)CCC1)C(=O)[O-] ZINC000386828341 499549539 /nfs/dbraw/zinc/54/95/39/499549539.db2.gz VKSPOPKDCNDORY-UHFFFAOYSA-N -1 3 360.498 3.438 20 0 FGADHM CCOC(C)(C)C[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000388415780 499550810 /nfs/dbraw/zinc/55/08/10/499550810.db2.gz OYJZQXHYJSOYIK-UHFFFAOYSA-N -1 3 370.696 3.196 20 0 FGADHM Cc1nc(C)c(CCC(=O)Nc2ccc3c(c2)C(=O)CC(C)(C)O3)c(=O)[n-]1 ZINC000375875348 499564081 /nfs/dbraw/zinc/56/40/81/499564081.db2.gz RHVQBQYHQSYQHV-UHFFFAOYSA-N -1 3 369.421 3.114 20 0 FGADHM C[C@H]1CCCc2nc(S(=O)(=O)[N-][C@H]3CCCN(C)c4ccccc43)cn21 ZINC000582170577 506150054 /nfs/dbraw/zinc/15/00/54/506150054.db2.gz ZNFBMINIYMEIPF-HOCLYGCPSA-N -1 3 374.510 3.030 20 0 FGADHM O=C(c1cc([O-])c2ccccc2c1)N1CCN(C(=O)C2CCCCC2)CC1 ZINC000408217651 499580834 /nfs/dbraw/zinc/58/08/34/499580834.db2.gz ZVCVHEOLMBEPIC-UHFFFAOYSA-N -1 3 366.461 3.410 20 0 FGADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000376175154 499588865 /nfs/dbraw/zinc/58/88/65/499588865.db2.gz STBNBGOEPQIJSO-OPYAIIAOSA-N -1 3 374.440 3.173 20 0 FGADHM O=C(Nc1cc(Cl)c([O-])cc1F)c1cnn(CCN2CCCCC2)c1 ZINC000376257533 499595173 /nfs/dbraw/zinc/59/51/73/499595173.db2.gz YLHWCJNGCWEWMH-UHFFFAOYSA-N -1 3 366.824 3.119 20 0 FGADHM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2cc3[nH]ncc3c(C)c2)c1 ZINC000576395039 506148378 /nfs/dbraw/zinc/14/83/78/506148378.db2.gz RLJFTSHNWQWACA-UHFFFAOYSA-N -1 3 365.842 3.472 20 0 FGADHM CCOc1cccc(S(=O)(=O)[N-][C@H](C2CCCC2)C(F)(F)F)c1 ZINC000409483994 499600386 /nfs/dbraw/zinc/60/03/86/499600386.db2.gz KGRNTMMNNMRAOJ-CQSZACIVSA-N -1 3 351.390 3.485 20 0 FGADHM COCCn1cc2c(n1)[C@@H](NC(=O)c1cc([O-])c3ccccc3c1)CCC2 ZINC000376423738 499607843 /nfs/dbraw/zinc/60/78/43/499607843.db2.gz DDZXWZDIWVYEQW-SFHVURJKSA-N -1 3 365.433 3.196 20 0 FGADHM O=C([O-])[C@@H]1[C@@H]2CCCN2CCN1C(=O)N(c1ccccc1)c1ccccc1 ZINC000376639578 499625255 /nfs/dbraw/zinc/62/52/55/499625255.db2.gz CODLTJQCVWFEGI-OALUTQOASA-N -1 3 365.433 3.178 20 0 FGADHM O=C(Nc1nnc(-c2c(F)cccc2F)[n-]1)c1cc2ccccc2c(=O)o1 ZINC000376736612 499633142 /nfs/dbraw/zinc/63/31/42/499633142.db2.gz STKOERPUGNUIKX-UHFFFAOYSA-N -1 3 368.299 3.109 20 0 FGADHM O=C(Nc1nc(-c2c(F)cccc2F)n[n-]1)c1cc2ccccc2c(=O)o1 ZINC000376736612 499633143 /nfs/dbraw/zinc/63/31/43/499633143.db2.gz STKOERPUGNUIKX-UHFFFAOYSA-N -1 3 368.299 3.109 20 0 FGADHM O=C(Nc1n[n-]c(-c2c(F)cccc2F)n1)c1cc2ccccc2c(=O)o1 ZINC000376736612 499633144 /nfs/dbraw/zinc/63/31/44/499633144.db2.gz STKOERPUGNUIKX-UHFFFAOYSA-N -1 3 368.299 3.109 20 0 FGADHM COc1cc([C@H]2CCCN2C(=O)c2cccc([O-])c2)cc(OC)c1OC ZINC000376847662 499640218 /nfs/dbraw/zinc/64/02/18/499640218.db2.gz XREUGQMIDSOCNJ-MRXNPFEDSA-N -1 3 357.406 3.395 20 0 FGADHM O=C(c1csc(=O)[n-]1)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000376882860 499643240 /nfs/dbraw/zinc/64/32/40/499643240.db2.gz VUXYDNDLEIRGQQ-CQSZACIVSA-N -1 3 352.843 3.088 20 0 FGADHM O=C([N-]c1nncn1-c1cccnc1)c1ncoc1-c1ccccc1Cl ZINC000377161306 499666940 /nfs/dbraw/zinc/66/69/40/499666940.db2.gz GHUPKKZIMWIGJK-UHFFFAOYSA-N -1 3 366.768 3.223 20 0 FGADHM O=C(c1ccc(C(=O)N2CC[C@@]3(C2)CCCOC3)cc1)c1cccc([O-])c1 ZINC000377168136 499667504 /nfs/dbraw/zinc/66/75/04/499667504.db2.gz PQYPOSSFHNUDHA-JOCHJYFZSA-N -1 3 365.429 3.266 20 0 FGADHM COC(=O)c1cccc([N-]C(=O)c2ncoc2[C@H]2CCCO2)c1Cl ZINC000410947292 499687127 /nfs/dbraw/zinc/68/71/27/499687127.db2.gz AZOGZVAFWQEUAF-LLVKDONJSA-N -1 3 350.758 3.218 20 0 FGADHM O=C([N-]c1nccn1-c1ccccc1)C(=O)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000411134901 499701526 /nfs/dbraw/zinc/70/15/26/499701526.db2.gz KPTUAFYVDPYUMH-GVDBMIGSSA-N -1 3 366.465 3.286 20 0 FGADHM Cc1cncc(-c2cc(=NC(=O)c3cnn(C)c3-c3ccccc3)[n-]o2)c1 ZINC000377584045 499706943 /nfs/dbraw/zinc/70/69/43/499706943.db2.gz RBSVHRRPABIKGM-UHFFFAOYSA-N -1 3 359.389 3.120 20 0 FGADHM O=C(c1cc([O-])ccc1Cl)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000377687014 499719810 /nfs/dbraw/zinc/71/98/10/499719810.db2.gz DWISTLIRJASAFF-GFCCVEGCSA-N -1 3 356.813 3.108 20 0 FGADHM CCCC[C@@H](NC(=O)C(=O)[N-]c1nccn1-c1ccccc1)C1CCC1 ZINC000411308342 499724503 /nfs/dbraw/zinc/72/45/03/499724503.db2.gz YZHCPERKPRHZFH-QGZVFWFLSA-N -1 3 354.454 3.286 20 0 FGADHM C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)c2c[n-]c3ccncc3c2=O)C2CC2)o1 ZINC000411385091 499732375 /nfs/dbraw/zinc/73/23/75/499732375.db2.gz IFWFAHZRVALHBI-DOMZBBRYSA-N -1 3 363.417 3.444 20 0 FGADHM CC(=O)c1ccc(C(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)cc1[O-] ZINC000411474043 499745167 /nfs/dbraw/zinc/74/51/67/499745167.db2.gz BFJVHDOOXDAVEO-QGZVFWFLSA-N -1 3 355.390 3.405 20 0 FGADHM O=C(NC1CCN(C(=O)c2cccc([O-])c2)CC1)[C@H]1C[C@@H]1C1CCCCC1 ZINC000378174746 499762134 /nfs/dbraw/zinc/76/21/34/499762134.db2.gz HMWKVMJKWMMJJN-UXHICEINSA-N -1 3 370.493 3.329 20 0 FGADHM CC(=O)c1ccc(C(=O)NC[C@@H]2CCCO[C@@H]2c2ccccc2)cc1[O-] ZINC000411617443 499769757 /nfs/dbraw/zinc/76/97/57/499769757.db2.gz KPWCQSWYFLOXMC-FXAWDEMLSA-N -1 3 353.418 3.493 20 0 FGADHM CCOC(=O)c1cc2cc([N-]S(=O)(=O)CC(C)(C)OC)ccc2s1 ZINC000414367535 499781474 /nfs/dbraw/zinc/78/14/74/499781474.db2.gz FKAAMFAWLVJPNZ-UHFFFAOYSA-N -1 3 371.480 3.245 20 0 FGADHM COC(C)(C)CS(=O)(=O)[N-]c1cc(NC(=O)C(C)(C)C)ccc1C ZINC000414377130 499782991 /nfs/dbraw/zinc/78/29/91/499782991.db2.gz VQJHNEIPRZSSRT-UHFFFAOYSA-N -1 3 356.488 3.146 20 0 FGADHM CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000414445007 499793130 /nfs/dbraw/zinc/79/31/30/499793130.db2.gz MGEDDQDEGKCOKJ-AOIWGVFYSA-N -1 3 372.509 3.077 20 0 FGADHM Cc1cc(CN(C)C)ccc1[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000414459588 499794866 /nfs/dbraw/zinc/79/48/66/499794866.db2.gz MARRFNNFBGDEFV-UHFFFAOYSA-N -1 3 373.400 3.271 20 0 FGADHM CC(C)(C)CC[C@H](NCc1cc2c(cc1OC(F)F)OCO2)C(=O)[O-] ZINC000414658230 499817771 /nfs/dbraw/zinc/81/77/71/499817771.db2.gz MLXDYLQGZDLAIU-NSHDSACASA-N -1 3 359.369 3.386 20 0 FGADHM CC(=O)c1ccc2c(c1)CCN(C(=O)c1ccc(C(C)=O)c([O-])c1)CC2 ZINC000412221728 499835653 /nfs/dbraw/zinc/83/56/53/499835653.db2.gz XJPXKNMXQPNRLJ-UHFFFAOYSA-N -1 3 351.402 3.038 20 0 FGADHM CC(=O)c1ccc(C(=O)N[C@H](C)[C@H](c2ccccc2C)N(C)C)cc1[O-] ZINC000412327328 499844893 /nfs/dbraw/zinc/84/48/93/499844893.db2.gz CDOKXXMJESNWMW-JLTOFOAXSA-N -1 3 354.450 3.324 20 0 FGADHM CC(C)c1ccc([C@H](N)CNC(=O)N=c2[n-]nc(-c3ccco3)s2)cc1 ZINC000414935232 499846047 /nfs/dbraw/zinc/84/60/47/499846047.db2.gz UZKPECXRUCPZGL-CQSZACIVSA-N -1 3 371.466 3.165 20 0 FGADHM COc1ccc(CNCc2cc(C)cc(N)c2)c(Br)c1[O-] ZINC000414964123 499849568 /nfs/dbraw/zinc/84/95/68/499849568.db2.gz LTTOVCNQBPJRBD-UHFFFAOYSA-N -1 3 351.244 3.344 20 0 FGADHM CC[C@@](NC(=O)Cc1ccc([O-])cc1Cl)(C(=O)OC)c1ccccc1 ZINC000579388162 506162409 /nfs/dbraw/zinc/16/24/09/506162409.db2.gz FMGAGMHEUNGLIJ-IBGZPJMESA-N -1 3 361.825 3.183 20 0 FGADHM CCCCc1nc(C(=O)OCC)c(NC(=O)CCc2scnc2C)[n-]1 ZINC000415511792 499897727 /nfs/dbraw/zinc/89/77/27/499897727.db2.gz ADQABUYKPWBDIT-UHFFFAOYSA-N -1 3 364.471 3.265 20 0 FGADHM CCCCc1nc(NC(=O)CCc2scnc2C)c(C(=O)OCC)[n-]1 ZINC000415511792 499897728 /nfs/dbraw/zinc/89/77/28/499897728.db2.gz ADQABUYKPWBDIT-UHFFFAOYSA-N -1 3 364.471 3.265 20 0 FGADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)CC3(C)CCCC3)c2)[n-]1 ZINC000579401182 506165401 /nfs/dbraw/zinc/16/54/01/506165401.db2.gz URQPKXDMXOGYPN-UHFFFAOYSA-N -1 3 370.453 3.235 20 0 FGADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)CC3(C)CCCC3)c2)n[n-]1 ZINC000579401182 506165404 /nfs/dbraw/zinc/16/54/04/506165404.db2.gz URQPKXDMXOGYPN-UHFFFAOYSA-N -1 3 370.453 3.235 20 0 FGADHM CC[C@H](C)c1cc(C(=O)[N-]c2sc3c(c2C(=O)OC)CCOC3)on1 ZINC000416100081 499948404 /nfs/dbraw/zinc/94/84/04/499948404.db2.gz UUPLVOCZAIMPHP-VIFPVBQESA-N -1 3 364.423 3.361 20 0 FGADHM C[C@H]1CC(C)(C)CN1C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000417035434 499953482 /nfs/dbraw/zinc/95/34/82/499953482.db2.gz GHYKWXMNHNBWTP-JTQLQIEISA-N -1 3 351.248 3.171 20 0 FGADHM O=C([O-])CCN(Cc1ccc(OCC(F)(F)F)cc1)C[C@@H]1CCCO1 ZINC000576473331 506167045 /nfs/dbraw/zinc/16/70/45/506167045.db2.gz 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500114693 /nfs/dbraw/zinc/11/46/93/500114693.db2.gz IMONVAUXNOSQNZ-UHFFFAOYSA-N -1 3 368.197 3.395 20 0 FGADHM CC1(C)CCC[C@H]1C(=O)N=c1[n-]n(CC(F)(F)F)cc1Br ZINC000421679492 500114915 /nfs/dbraw/zinc/11/49/15/500114915.db2.gz KXRVSWXLCMJWLG-QMMMGPOBSA-N -1 3 368.197 3.395 20 0 FGADHM COC(=O)c1cc(CN[C@H](CC(=O)[O-])c2cccc(C(F)(F)F)c2)c[nH]1 ZINC000417589280 500118890 /nfs/dbraw/zinc/11/88/90/500118890.db2.gz QDURIBZQESQRHT-CYBMUJFWSA-N -1 3 370.327 3.126 20 0 FGADHM CCOCCOc1ccc(Br)cc1CN[C@H](C)[C@H](C)C(=O)[O-] ZINC000417607213 500123271 /nfs/dbraw/zinc/12/32/71/500123271.db2.gz GNQUPSUMUJXJTB-NWDGAFQWSA-N -1 3 374.275 3.063 20 0 FGADHM CC(C)(C)c1nn(Cc2ccccc2)cc1CNCCSCC(=O)[O-] ZINC000417629834 500129885 /nfs/dbraw/zinc/12/98/85/500129885.db2.gz XKVWRTAQIUBJGR-UHFFFAOYSA-N -1 3 361.511 3.136 20 0 FGADHM COc1ccc(CN[C@@H]2C=C[C@@H](C(=O)[O-])C2)cc1OCc1ccccc1 ZINC000417629879 500130259 /nfs/dbraw/zinc/13/02/59/500130259.db2.gz XPJRCUGIEISMIA-QZTJIDSGSA-N -1 3 353.418 3.393 20 0 FGADHM CCOC[C@@H](NCc1ccc(Oc2cc(F)cc(F)c2)cc1)C(=O)[O-] ZINC000417645350 500135685 /nfs/dbraw/zinc/13/56/85/500135685.db2.gz DFYAQNCFRXDQRA-QGZVFWFLSA-N -1 3 351.349 3.336 20 0 FGADHM COc1cccc(C[C@H](CNCc2ncc(C(C)(C)C)s2)C(=O)[O-])c1 ZINC000417649403 500137127 /nfs/dbraw/zinc/13/71/27/500137127.db2.gz LJHRBQGKLFRWLF-CQSZACIVSA-N -1 3 362.495 3.482 20 0 FGADHM COc1cccc(C[C@@H](CNCc2ncc(C(C)(C)C)s2)C(=O)[O-])c1 ZINC000417649402 500137495 /nfs/dbraw/zinc/13/74/95/500137495.db2.gz LJHRBQGKLFRWLF-AWEZNQCLSA-N -1 3 362.495 3.482 20 0 FGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)c2ccc(C(C)(C)C)cn2)c1 ZINC000421775489 500146855 /nfs/dbraw/zinc/14/68/55/500146855.db2.gz PPSLOLJTSUXTLP-UHFFFAOYSA-N -1 3 361.467 3.311 20 0 FGADHM C[C@H]1CCCC[C@@H]1C(=O)N=c1[n-]n(CC(F)(F)F)cc1Br ZINC000425629017 500164299 /nfs/dbraw/zinc/16/42/99/500164299.db2.gz YCHKJEFIGRQNFB-IUCAKERBSA-N -1 3 368.197 3.395 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]Cc2c(F)cc(F)c(F)c2F)c(F)cc1F ZINC000429910651 500166072 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20 0 FGADHM COC[C@H]([N-]S(=O)(=O)c1ccc(C)cc1Cl)c1ccc(F)cc1 ZINC000436190158 501086661 /nfs/dbraw/zinc/08/66/61/501086661.db2.gz VTHWTVCDJZEOKE-HNNXBMFYSA-N -1 3 357.834 3.454 20 0 FGADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)[C@H]2CCC[C@@H](OC)C2)[nH][n-]1 ZINC000449841375 501104109 /nfs/dbraw/zinc/10/41/09/501104109.db2.gz UZKUPELLZJRXSF-WCQYABFASA-N -1 3 363.845 3.304 20 0 FGADHM CC(=O)N[C@H](C(=O)Nc1cc(Cc2ccccc2)ccc1[O-])C(C)(C)C ZINC000450419183 501117632 /nfs/dbraw/zinc/11/76/32/501117632.db2.gz NXJVNOPMNLWIIL-LJQANCHMSA-N -1 3 354.450 3.472 20 0 FGADHM Cc1cccc(S(=O)(=O)[N-]c2ccc(F)c(-c3nc[nH]n3)c2)c1Cl ZINC000436473667 501133906 /nfs/dbraw/zinc/13/39/06/501133906.db2.gz BKHTTXRKMUTFJF-UHFFFAOYSA-N -1 3 366.805 3.373 20 0 FGADHM Cc1ccc(C(=O)NCc2cccc(CN3CCO[C@H](C)C3)c2)c([O-])c1C ZINC000436486043 501137054 /nfs/dbraw/zinc/13/70/54/501137054.db2.gz MMIYVSYGLXZRGA-MRXNPFEDSA-N -1 3 368.477 3.160 20 0 FGADHM O=C(NCCNc1ncnc2oc(-c3ccccc3)cc21)c1ccc([O-])cc1 ZINC000436495143 501139377 /nfs/dbraw/zinc/13/93/77/501139377.db2.gz WZDVCJCTUQJGBV-UHFFFAOYSA-N -1 3 374.400 3.437 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)NCC[C@H](C)c2ccccc2)c([O-])c1 ZINC000436499422 501140151 /nfs/dbraw/zinc/14/01/51/501140151.db2.gz ZTOCGKAIWBHXKF-INIZCTEOSA-N -1 3 354.450 3.131 20 0 FGADHM O=C(c1cc(F)c(N2CCOCC2)c(F)c1)N1CCCc2cccc([O-])c21 ZINC000450510769 501140229 /nfs/dbraw/zinc/14/02/29/501140229.db2.gz IJRWFQQTEHIEGN-UHFFFAOYSA-N -1 3 374.387 3.100 20 0 FGADHM C[C@H](c1csnn1)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000450514951 501141839 /nfs/dbraw/zinc/14/18/39/501141839.db2.gz FRXGUYWZNKLRRH-SNVBAGLBSA-N -1 3 366.874 3.309 20 0 FGADHM CCOC(=O)c1ccc(-c2nc(-c3ccc([O-])c(OCC)c3)no2)nc1 ZINC000436520083 501146327 /nfs/dbraw/zinc/14/63/27/501146327.db2.gz CKLSZXSAUMSNNQ-UHFFFAOYSA-N -1 3 355.350 3.080 20 0 FGADHM CCN(C(=O)c1cc(OC)c([O-])c(OC)c1)[C@H](COC)Cc1ccccc1 ZINC000436522314 501147082 /nfs/dbraw/zinc/14/70/82/501147082.db2.gz KTVONNOZRVKSTP-KRWDZBQOSA-N -1 3 373.449 3.129 20 0 FGADHM CCc1c(-c2nc(-c3ccc([O-])cc3)no2)nnn1Cc1ccc(F)cc1 ZINC000436521642 501147090 /nfs/dbraw/zinc/14/70/90/501147090.db2.gz NURGNTUQWPTNPA-UHFFFAOYSA-N -1 3 365.368 3.451 20 0 FGADHM C[C@H]1CN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C[C@H]1C ZINC000436524837 501148243 /nfs/dbraw/zinc/14/82/43/501148243.db2.gz CBGDKQCXZVPVKC-YRNRMSPPSA-N -1 3 366.461 3.368 20 0 FGADHM CC(C)(C)C(=O)NCCNC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436536730 501150827 /nfs/dbraw/zinc/15/08/27/501150827.db2.gz PWNAPCIRAIGUGE-UHFFFAOYSA-N -1 3 356.422 3.077 20 0 FGADHM C[S@@](=O)Cc1cccc(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)c1 ZINC000436547157 501153867 /nfs/dbraw/zinc/15/38/67/501153867.db2.gz NFYHEWCUIBLXFM-RUZDIDTESA-N -1 3 359.447 3.237 20 0 FGADHM CO[C@@H]1COCC[C@H]1CC(=O)Nc1cc(Cc2ccccc2)ccc1[O-] ZINC000450031917 501159149 /nfs/dbraw/zinc/15/91/49/501159149.db2.gz JSZIPFVYYDSTAY-FXAWDEMLSA-N -1 3 355.434 3.363 20 0 FGADHM C[C@@H](O)C[C@@H](CNC(=O)c1ccc2c(c1[O-])OC(C)(C)C2)c1ccccc1 ZINC000436583453 501163263 /nfs/dbraw/zinc/16/32/63/501163263.db2.gz HBLOVYRSRDVBAK-PBHICJAKSA-N -1 3 369.461 3.390 20 0 FGADHM COc1ccc(C(=O)N[C@@H](C(=O)OC(C)(C)C)c2ccccc2)c([O-])c1 ZINC000436593959 501165585 /nfs/dbraw/zinc/16/55/85/501165585.db2.gz CVEQXGAMNIPCMG-QGZVFWFLSA-N -1 3 357.406 3.214 20 0 FGADHM O=C(NCCCNC(=O)c1cccc([O-])c1)c1cc2sccc2s1 ZINC000588218195 506237771 /nfs/dbraw/zinc/23/77/71/506237771.db2.gz NZNQVNLNWWCHNB-UHFFFAOYSA-N -1 3 360.460 3.218 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@H](Cc3ccccc3)OC)nc2)n1 ZINC000450614726 501167349 /nfs/dbraw/zinc/16/73/49/501167349.db2.gz OYNAKTMDCKQHQX-SFHVURJKSA-N -1 3 364.449 3.476 20 0 FGADHM COc1ccc(CNC(=O)c2ccc(O)cc2[O-])c(OC2CCCC2)c1 ZINC000436626137 501173002 /nfs/dbraw/zinc/17/30/02/501173002.db2.gz OCKZUHIEZKCXET-UHFFFAOYSA-N -1 3 357.406 3.358 20 0 FGADHM CCn1c2ccccc2nc1[C@H](C)NC(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000436632008 501173631 /nfs/dbraw/zinc/17/36/31/501173631.db2.gz VKNOFZMBIWHLPW-LBPRGKRZSA-N -1 3 351.406 3.455 20 0 FGADHM O=C(CCc1ccc2ccccc2c1[O-])N1CCC[C@](O)(C(F)(F)F)C1 ZINC000450084120 501175730 /nfs/dbraw/zinc/17/57/30/501175730.db2.gz HPLSDCOBCLUVBR-GOSISDBHSA-N -1 3 367.367 3.394 20 0 FGADHM CCCCOc1ccc(C(=O)NCc2c3c(nn2C)CCCC3)c([O-])c1 ZINC000436642481 501176589 /nfs/dbraw/zinc/17/65/89/501176589.db2.gz SNCJFVNDEATISC-UHFFFAOYSA-N -1 3 357.454 3.113 20 0 FGADHM CCOc1cccc(CNC(=O)Cc2ccc([O-])c(F)c2)c1OC(F)F ZINC000450093981 501179348 /nfs/dbraw/zinc/17/93/48/501179348.db2.gz SSUQJWNJRAOLQL-UHFFFAOYSA-N -1 3 369.339 3.390 20 0 FGADHM CC(C)COc1cccc(CN2CCN(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000436652006 501179960 /nfs/dbraw/zinc/17/99/60/501179960.db2.gz YXTHLGVDPXNGNH-UHFFFAOYSA-N -1 3 368.477 3.385 20 0 FGADHM Cc1cccc(C(=O)N2CCc3c(ncn3-c3ccc(F)cc3)C2)c1[O-] ZINC000436658646 501180721 /nfs/dbraw/zinc/18/07/21/501180721.db2.gz VNIRMUQVFACWCU-UHFFFAOYSA-N -1 3 351.381 3.224 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)NC2(c3ccccc3)CCC2)c([O-])c1 ZINC000436667696 501183480 /nfs/dbraw/zinc/18/34/80/501183480.db2.gz UWMIRFZWXZRTPA-UHFFFAOYSA-N -1 3 352.434 3.016 20 0 FGADHM COC(=O)c1ccc(CN(C)C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)cc1 ZINC000436678398 501185912 /nfs/dbraw/zinc/18/59/12/501185912.db2.gz BIAIVSSEFYGYIY-UHFFFAOYSA-N -1 3 369.417 3.165 20 0 FGADHM O=C(NC[C@@H](c1cccc(Cl)c1)N1CCCC1)c1ccc(O)cc1[O-] ZINC000436675529 501185964 /nfs/dbraw/zinc/18/59/64/501185964.db2.gz ZZKLSZWXMHTGKT-KRWDZBQOSA-N -1 3 360.841 3.318 20 0 FGADHM COc1cccc(C(=O)Nc2cccc([C@H](C)N3CCOCC3)c2)c1[O-] ZINC000436684755 501188189 /nfs/dbraw/zinc/18/81/89/501188189.db2.gz FZRUPSWTCYYRDI-AWEZNQCLSA-N -1 3 356.422 3.046 20 0 FGADHM COc1cc(-c2nc(-c3cc4[nH]cnc4c(C)c3)no2)cc(OC)c1[O-] ZINC000436692654 501189741 /nfs/dbraw/zinc/18/97/41/501189741.db2.gz YADCWZFYHUEFCC-UHFFFAOYSA-N -1 3 352.350 3.311 20 0 FGADHM COC(=O)c1ccsc1[N-]C(=O)C(=O)N(C)[C@H](C)c1cc(C)ccc1C ZINC000441996503 501189867 /nfs/dbraw/zinc/18/98/67/501189867.db2.gz CRHWVMDCZBOEBZ-CYBMUJFWSA-N -1 3 374.462 3.310 20 0 FGADHM CC(C)c1ccc(C(=O)NCc2ccccc2N2CCOCC2)c([O-])c1 ZINC000436695644 501190498 /nfs/dbraw/zinc/19/04/98/501190498.db2.gz GELLYZIZKGIUOQ-UHFFFAOYSA-N -1 3 354.450 3.282 20 0 FGADHM CC1(C)Cc2cc(CN3CCN(C(=O)c4ccccc4[O-])CC3)ccc2O1 ZINC000436697420 501190666 /nfs/dbraw/zinc/19/06/66/501190666.db2.gz MVJJHGZKDWUISR-UHFFFAOYSA-N -1 3 366.461 3.064 20 0 FGADHM Cc1ccc([O-])c(C(=O)N[C@@H]2CCCN([C@@H](C)c3ccc(F)cc3)C2=O)c1 ZINC000436699092 501191477 /nfs/dbraw/zinc/19/14/77/501191477.db2.gz QCRILORIDXQZPY-KBXCAEBGSA-N -1 3 370.424 3.322 20 0 FGADHM CCOC(=O)c1sc([C@H](C)NC(=O)c2ccc([O-])c(CC)c2)nc1C ZINC000436701355 501191581 /nfs/dbraw/zinc/19/15/81/501191581.db2.gz CRNLFLGTALAAAR-NSHDSACASA-N -1 3 362.451 3.387 20 0 FGADHM Cc1ccc(-c2nnc(NC(=O)[C@@H](C)[C@H]3OCCc4sccc43)[n-]2)o1 ZINC000450142822 501192450 /nfs/dbraw/zinc/19/24/50/501192450.db2.gz WFDFGNXESMEGSC-IINYFYTJSA-N -1 3 358.423 3.323 20 0 FGADHM Cc1ccc(-c2n[n-]c(NC(=O)[C@@H](C)[C@H]3OCCc4sccc43)n2)o1 ZINC000450142822 501192452 /nfs/dbraw/zinc/19/24/52/501192452.db2.gz WFDFGNXESMEGSC-IINYFYTJSA-N -1 3 358.423 3.323 20 0 FGADHM Cc1ccc(-c2nc(NC(=O)[C@@H](C)[C@H]3OCCc4sccc43)n[n-]2)o1 ZINC000450142822 501192453 /nfs/dbraw/zinc/19/24/53/501192453.db2.gz WFDFGNXESMEGSC-IINYFYTJSA-N -1 3 358.423 3.323 20 0 FGADHM CCOc1cc2c(cc1CNC(=O)c1cccc(OC)c1[O-])O[C@H](C)C2 ZINC000436706881 501193312 /nfs/dbraw/zinc/19/33/12/501193312.db2.gz QBUCLLXKPTZMRT-GFCCVEGCSA-N -1 3 357.406 3.053 20 0 FGADHM C[C@@H](CNC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])c1ccc(F)cc1 ZINC000436722449 501197143 /nfs/dbraw/zinc/19/71/43/501197143.db2.gz NMRFXAMRTVUPOJ-KBXCAEBGSA-N -1 3 370.424 3.056 20 0 FGADHM CC(C)c1ccc(C(=O)N[C@@H]2CCN(C(=O)Cc3ccccc3)C2)c([O-])c1 ZINC000436728080 501197815 /nfs/dbraw/zinc/19/78/15/501197815.db2.gz HPDNLYYOKIJABQ-GOSISDBHSA-N -1 3 366.461 3.089 20 0 FGADHM O=C(NC1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccccc1[O-] ZINC000436725220 501197903 /nfs/dbraw/zinc/19/79/03/501197903.db2.gz WPLGFPNWNOLODX-UHFFFAOYSA-N -1 3 365.355 3.205 20 0 FGADHM CCOc1cccc([C@H]2C[C@@H]2NC(=O)c2cc(OC)c([O-])c(OC)c2)c1 ZINC000436734147 501199417 /nfs/dbraw/zinc/19/94/17/501199417.db2.gz AAJSVCAGJDNMTC-CVEARBPZSA-N -1 3 357.406 3.094 20 0 FGADHM Cc1ccc(C(=O)N[C@@H](C)C2CCN(CC(F)(F)F)CC2)c([O-])c1C ZINC000436742781 501202559 /nfs/dbraw/zinc/20/25/59/501202559.db2.gz YIKJXVQWIRSMFU-ZDUSSCGKSA-N -1 3 358.404 3.402 20 0 FGADHM O=C(NCCOCc1ccc(Cl)cc1Cl)c1ccc(O)cc1[O-] ZINC000436751652 501203958 /nfs/dbraw/zinc/20/39/58/501203958.db2.gz UHUODTWRMIIOLX-UHFFFAOYSA-N -1 3 356.205 3.351 20 0 FGADHM COc1ccc(C(=O)N2CCC[C@H]2c2ccc(OC)c(OC)c2)c([O-])c1 ZINC000436755566 501205254 /nfs/dbraw/zinc/20/52/54/501205254.db2.gz NTNRBCVTJLKIIS-INIZCTEOSA-N -1 3 357.406 3.395 20 0 FGADHM NC(=O)[C@@H](NC(=O)c1cc(CCc2ccccc2)ccc1[O-])c1ccccc1 ZINC000436757787 501205823 /nfs/dbraw/zinc/20/58/23/501205823.db2.gz UKZZTKYKWLALPP-NRFANRHFSA-N -1 3 374.440 3.134 20 0 FGADHM Cc1ccc(C(=O)Nc2cccc(OCC(=O)N3CCCC3)c2)c([O-])c1C ZINC000436760689 501206482 /nfs/dbraw/zinc/20/64/82/501206482.db2.gz RQUFFTFCMRVWOP-UHFFFAOYSA-N -1 3 368.433 3.263 20 0 FGADHM COc1cc(C)cc(C(=O)Nc2cccc(N3CCCCC3=O)c2)c1[O-] ZINC000436759856 501206750 /nfs/dbraw/zinc/20/67/50/501206750.db2.gz HOEAEUSJGWPJED-UHFFFAOYSA-N -1 3 354.406 3.478 20 0 FGADHM CC(C)(CCCO)CNC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436769588 501208336 /nfs/dbraw/zinc/20/83/36/501208336.db2.gz ZANWHDMLBVAPAO-UHFFFAOYSA-N -1 3 357.450 3.500 20 0 FGADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N[C@H]1CCC[C@H]1F ZINC000436773157 501209711 /nfs/dbraw/zinc/20/97/11/501209711.db2.gz IAOPIYZVQSZTEL-QYZOEREBSA-N -1 3 370.424 3.260 20 0 FGADHM Cc1cccc(C)c1NC(=O)CNC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436779560 501209959 /nfs/dbraw/zinc/20/99/59/501209959.db2.gz WJXGAYJRGMCZPO-UHFFFAOYSA-N -1 3 368.433 3.091 20 0 FGADHM CCn1cnc(S(=O)(=O)[N-][C@@H](c2ccccc2F)C2CCCC2)c1 ZINC000447157351 501210273 /nfs/dbraw/zinc/21/02/73/501210273.db2.gz MXIUALSUGZYCTO-QGZVFWFLSA-N -1 3 351.447 3.252 20 0 FGADHM COc1cc(C)c(NC(=O)CCNC(=O)c2ccc(C)cc2[O-])c(C)c1C ZINC000436783547 501211023 /nfs/dbraw/zinc/21/10/23/501211023.db2.gz SEGDYDBPIZVMCL-UHFFFAOYSA-N -1 3 370.449 3.393 20 0 FGADHM COc1cc(-c2noc(-c3nnn(-c4cccc(C)c4)c3C)n2)ccc1[O-] ZINC000436789723 501212381 /nfs/dbraw/zinc/21/23/81/501212381.db2.gz MBIRIZYOMOZQOT-UHFFFAOYSA-N -1 3 363.377 3.315 20 0 FGADHM COc1ccc(-n2ccc(-c3nc(-c4ccc([O-])c(OC)c4)no3)n2)cc1 ZINC000436789696 501212406 /nfs/dbraw/zinc/21/24/06/501212406.db2.gz LWKKMDYWKIMVDU-UHFFFAOYSA-N -1 3 364.361 3.312 20 0 FGADHM O=C1[N-][C@](c2ccccc2)(C(F)(F)F)C(=O)N1C[C@@H]1CCC(F)(F)C1 ZINC000450818512 501213241 /nfs/dbraw/zinc/21/32/41/501213241.db2.gz IBUMGOSWGCKDFC-BMIGLBTASA-N -1 3 362.298 3.431 20 0 FGADHM COc1cccc(C(=O)N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2)c1[O-] ZINC000436804905 501213932 /nfs/dbraw/zinc/21/39/32/501213932.db2.gz BUIHBBFPTCBYND-NSHDSACASA-N -1 3 364.804 3.202 20 0 FGADHM CC[C@@H](CNC(=O)c1cc(OC)c([O-])c(OC)c1)Oc1cccc(C)c1 ZINC000436808609 501214316 /nfs/dbraw/zinc/21/43/16/501214316.db2.gz METIUILPHVSBDO-HNNXBMFYSA-N -1 3 359.422 3.305 20 0 FGADHM COC(=O)[C@@H]1CN(C(=O)c2cccc(C)c2[O-])C[C@H]1c1ccc(Cl)cc1 ZINC000436807098 501214511 /nfs/dbraw/zinc/21/45/11/501214511.db2.gz KCEOALOSPGOTIB-DLBZAZTESA-N -1 3 373.836 3.383 20 0 FGADHM CC(=O)c1nc(N2CCC(C(=O)Nc3ccccc3[O-])CC2)sc1C ZINC000450231050 501214994 /nfs/dbraw/zinc/21/49/94/501214994.db2.gz ROONTGGZRHEQBF-UHFFFAOYSA-N -1 3 359.451 3.215 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@H](C)CC(F)(F)F)c1 ZINC000436822068 501216547 /nfs/dbraw/zinc/21/65/47/501216547.db2.gz ZZBQBAKCNCWZSO-MRVPVSSYSA-N -1 3 371.315 3.012 20 0 FGADHM CCOc1cc2c(cc1NC(=O)c1cc(C)cc(OC)c1[O-])OCCO2 ZINC000436822543 501216675 /nfs/dbraw/zinc/21/66/75/501216675.db2.gz PNAPHGYWNQMDJD-UHFFFAOYSA-N -1 3 359.378 3.131 20 0 FGADHM CCc1ccc(C(=O)NC[C@H]2CCN(c3ccccc3OC)C2)c([O-])c1 ZINC000436823768 501216717 /nfs/dbraw/zinc/21/67/17/501216717.db2.gz CVIXDRQPBZTGHA-MRXNPFEDSA-N -1 3 354.450 3.220 20 0 FGADHM CCc1ccc(C(=O)N2CCN([C@H](C)c3cccc(OC)c3)CC2)c([O-])c1 ZINC000436823182 501217034 /nfs/dbraw/zinc/21/70/34/501217034.db2.gz SNYWNFFEJIRENR-MRXNPFEDSA-N -1 3 368.477 3.482 20 0 FGADHM CCc1ccc(C(=O)N2CCN(c3ccc4ccccc4n3)CC2)c([O-])c1 ZINC000436835032 501219120 /nfs/dbraw/zinc/21/91/20/501219120.db2.gz SMJRUFCDRIOYAZ-UHFFFAOYSA-N -1 3 361.445 3.465 20 0 FGADHM Cc1cccc(C(=O)N[C@H]2CCCN(Cc3c(F)cccc3F)C2)c1[O-] ZINC000436863385 501223585 /nfs/dbraw/zinc/22/35/85/501223585.db2.gz KCWJFSKDBVMSNA-AWEZNQCLSA-N -1 3 360.404 3.373 20 0 FGADHM O=C(C[C@H]1CCCN1C(=O)Cc1ccc([O-])c(F)c1)c1ccc(F)cc1 ZINC000450276965 501223965 /nfs/dbraw/zinc/22/39/65/501223965.db2.gz KFFQPMNJUFHIHN-MRXNPFEDSA-N -1 3 359.372 3.477 20 0 FGADHM COC(=O)[C@@H](NC(=O)c1cccc(C)c1[O-])c1ccc(OC)c(Cl)c1 ZINC000436878944 501226216 /nfs/dbraw/zinc/22/62/16/501226216.db2.gz LESLWQNYQAXYJJ-HNNXBMFYSA-N -1 3 363.797 3.007 20 0 FGADHM COc1cccc(-c2nc(-c3cc(OC)c(OC)c(OC)c3)no2)c1[O-] ZINC000436890212 501228073 /nfs/dbraw/zinc/22/80/73/501228073.db2.gz DZBZNAGLSMHYAJ-UHFFFAOYSA-N -1 3 358.350 3.144 20 0 FGADHM O=c1[n-]nc(C2CCN(CCOc3ccccc3C(F)(F)F)CC2)o1 ZINC000450913089 501228784 /nfs/dbraw/zinc/22/87/84/501228784.db2.gz JDBOQSVUEIMESQ-UHFFFAOYSA-N -1 3 357.332 3.052 20 0 FGADHM Cn1c(CNC(=O)c2cc(Oc3ccccc3)ccc2[O-])nnc1C1CC1 ZINC000436905008 501230056 /nfs/dbraw/zinc/23/00/56/501230056.db2.gz RQOYXQCYMYHZJR-UHFFFAOYSA-N -1 3 364.405 3.120 20 0 FGADHM Cc1cc(C(=O)NCc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)ccc1[O-] ZINC000436904368 501230144 /nfs/dbraw/zinc/23/01/44/501230144.db2.gz PPRHMDLVMZTGRL-CALCHBBNSA-N -1 3 368.477 3.240 20 0 FGADHM COCCN(C)CC[C@@H](N=c1[n-]c(C(C)=O)c(C)s1)c1ccccc1 ZINC000450311774 501230896 /nfs/dbraw/zinc/23/08/96/501230896.db2.gz FBFLLLNDUOGUGA-QGZVFWFLSA-N -1 3 361.511 3.198 20 0 FGADHM CCCCOc1ccc(C(=O)N(C)C[C@H]2COc3ccccc3O2)c([O-])c1 ZINC000436918829 501232406 /nfs/dbraw/zinc/23/24/06/501232406.db2.gz KPPARXPTBRSRDL-INIZCTEOSA-N -1 3 371.433 3.483 20 0 FGADHM COCCOc1ccc([C@@H](C)NC(=O)c2ccc([O-])c(C)c2)cc1OC ZINC000436925690 501233926 /nfs/dbraw/zinc/23/39/26/501233926.db2.gz KLUQTLJVIRVTMX-CQSZACIVSA-N -1 3 359.422 3.225 20 0 FGADHM COc1ccc([N-]S(=O)(=O)C[C@@H](OC)c2ccccc2)cc1Cl ZINC000450964448 501235491 /nfs/dbraw/zinc/23/54/91/501235491.db2.gz FFRSORAAGYMMFD-MRXNPFEDSA-N -1 3 355.843 3.478 20 0 FGADHM CO[C@@H](C)CS(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000450969098 501235754 /nfs/dbraw/zinc/23/57/54/501235754.db2.gz KVNZMCMOPJOYNJ-NSHDSACASA-N -1 3 366.405 3.082 20 0 FGADHM Cc1csc(S(=O)(=O)[N-]C[C@H](c2ccco2)N2CCCCC2)c1 ZINC000450980453 501236552 /nfs/dbraw/zinc/23/65/52/501236552.db2.gz MXKBOAHQANTGJQ-CQSZACIVSA-N -1 3 354.497 3.155 20 0 FGADHM Cc1csc(S(=O)(=O)[N-][C@@H](CC(=O)OC(C)C)c2ccccc2)c1 ZINC000451008828 501238765 /nfs/dbraw/zinc/23/87/65/501238765.db2.gz YKMLQRQSAOPELN-HNNXBMFYSA-N -1 3 367.492 3.418 20 0 FGADHM CC(=O)c1sc2[n-]c(CSC3(CO)CCCCC3)nc(=O)c2c1C ZINC000451062443 501242735 /nfs/dbraw/zinc/24/27/35/501242735.db2.gz SPJPJVAFVMLIPR-UHFFFAOYSA-N -1 3 366.508 3.424 20 0 FGADHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-][C@H](CC)c1cccs1 ZINC000451096234 501245357 /nfs/dbraw/zinc/24/53/57/501245357.db2.gz LWPVDURVNAITGH-KOLCDFICSA-N -1 3 373.418 3.003 20 0 FGADHM Cc1csc(S(=O)(=O)[N-]C[C@@H]2CCCN(Cc3cccs3)C2)c1 ZINC000451134405 501247513 /nfs/dbraw/zinc/24/75/13/501247513.db2.gz HVOBEJLKOUGIKQ-AWEZNQCLSA-N -1 3 370.565 3.309 20 0 FGADHM COC[C@@H]([N-]S(=O)(=O)Cc1c(F)cccc1Cl)c1ccccc1 ZINC000451162152 501249165 /nfs/dbraw/zinc/24/91/65/501249165.db2.gz NOVKLHIRVHQIQP-MRXNPFEDSA-N -1 3 357.834 3.286 20 0 FGADHM CCOc1ccncc1S(=O)(=O)[N-]CC1(Sc2ccccc2)CC1 ZINC000451191598 501250982 /nfs/dbraw/zinc/25/09/82/501250982.db2.gz JLCRCWFXURYRNN-UHFFFAOYSA-N -1 3 364.492 3.084 20 0 FGADHM Cc1csc(S(=O)(=O)[N-][C@H]2CCN(Cc3ccccc3)C[C@@H]2C)c1 ZINC000451288535 501257790 /nfs/dbraw/zinc/25/77/90/501257790.db2.gz TZYIZKOUINLGQH-RDJZCZTQSA-N -1 3 364.536 3.245 20 0 FGADHM CCOc1ccncc1S(=O)(=O)[N-]C[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000451302667 501260154 /nfs/dbraw/zinc/26/01/54/501260154.db2.gz KYULWKSFRCZRJW-VXGBXAGGSA-N -1 3 366.405 3.127 20 0 FGADHM Cc1csc(S(=O)(=O)[N-][C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000451367019 501276326 /nfs/dbraw/zinc/27/63/26/501276326.db2.gz KOCOEEKJXQDWMH-UKRRQHHQSA-N -1 3 359.419 3.143 20 0 FGADHM C[C@@H](CC[N-]S(=O)(=O)c1cc2cc(F)ccc2o1)N1CCCCC1 ZINC000451388018 501281224 /nfs/dbraw/zinc/28/12/24/501281224.db2.gz AFQBMBKKUGKACK-ZDUSSCGKSA-N -1 3 354.447 3.115 20 0 FGADHM COCCOc1ccc(Cc2noc(Cc3ccc([O-])c(F)c3)n2)cc1 ZINC000453162442 501281948 /nfs/dbraw/zinc/28/19/48/501281948.db2.gz RNKPYZBNMSJIAV-UHFFFAOYSA-N -1 3 358.369 3.121 20 0 FGADHM CC(C)CCCCC(=O)Nc1cc(N2CCCS2(=O)=O)ccc1[O-] ZINC000457685322 501286932 /nfs/dbraw/zinc/28/69/32/501286932.db2.gz ZPLVHQQNCFHUFM-UHFFFAOYSA-N -1 3 354.472 3.087 20 0 FGADHM CCC[C@H](OC)c1noc(-c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)n1 ZINC000453200848 501290189 /nfs/dbraw/zinc/29/01/89/501290189.db2.gz MDYMVLKYSZFSRA-ZDUSSCGKSA-N -1 3 371.434 3.050 20 0 FGADHM O=S(=O)([N-]CCCO[C@@H]1CCCCO1)c1ccc2ccccc2c1F ZINC000451486546 501303940 /nfs/dbraw/zinc/30/39/40/501303940.db2.gz JXNCZGWGAGKRLN-QGZVFWFLSA-N -1 3 367.442 3.191 20 0 FGADHM COC(=O)[C@]1(C)CN(C(=O)CCc2ccc3ccccc3c2[O-])C[C@H]1C ZINC000451493656 501305731 /nfs/dbraw/zinc/30/57/31/501305731.db2.gz JJKKLZKEHKHODQ-SPLOXXLWSA-N -1 3 355.434 3.136 20 0 FGADHM Cc1csc(S(=O)(=O)[N-]C(C)(C)c2cc(C(F)(F)F)on2)c1 ZINC000451573966 501328680 /nfs/dbraw/zinc/32/86/80/501328680.db2.gz KPOIAELYDRNSCW-UHFFFAOYSA-N -1 3 354.375 3.277 20 0 FGADHM CC(F)(F)CCC[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000451612126 501336452 /nfs/dbraw/zinc/33/64/52/501336452.db2.gz ZEWWHWBKWGJINW-UHFFFAOYSA-N -1 3 365.295 3.438 20 0 FGADHM C[C@H](CCO)CC[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000451623025 501338789 /nfs/dbraw/zinc/33/87/89/501338789.db2.gz IKWXEBBRQYXVDZ-VIFPVBQESA-N -1 3 359.797 3.046 20 0 FGADHM O=S(=O)([N-][C@@H](CCO)c1cccc(C(F)(F)F)c1)c1cccs1 ZINC000451734316 501362642 /nfs/dbraw/zinc/36/26/42/501362642.db2.gz WLTDXLFOVDGWSO-LBPRGKRZSA-N -1 3 365.398 3.169 20 0 FGADHM CCC1([N-]S(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2OC)CCCC1 ZINC000451737406 501363121 /nfs/dbraw/zinc/36/31/21/501363121.db2.gz GZYVSMKTKXIVQH-UHFFFAOYSA-N -1 3 374.890 3.308 20 0 FGADHM O=S(=O)([N-]C1(CF)CCOCC1)c1cc2cc(Cl)ccc2s1 ZINC000451739290 501363574 /nfs/dbraw/zinc/36/35/74/501363574.db2.gz TUKCIPIXFNZMLH-UHFFFAOYSA-N -1 3 363.863 3.352 20 0 FGADHM O=S(=O)([N-]CCCc1cccc(C(F)(F)F)c1)c1cscn1 ZINC000582484915 506249305 /nfs/dbraw/zinc/24/93/05/506249305.db2.gz YTLOUGGUPGXKCE-UHFFFAOYSA-N -1 3 350.387 3.073 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2CCO[C@H](C(C)C)C2)sc1Cl ZINC000451819516 501379114 /nfs/dbraw/zinc/37/91/14/501379114.db2.gz VTHPSYSKNCQPOD-NEPJUHHUSA-N -1 3 351.921 3.439 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]C[C@H]2CCO[C@@H](C(C)C)C2)sc1Cl ZINC000451819517 501379158 /nfs/dbraw/zinc/37/91/58/501379158.db2.gz VTHPSYSKNCQPOD-NWDGAFQWSA-N -1 3 351.921 3.439 20 0 FGADHM O=C(c1ccccc1[O-])N1CCC[C@@H]1C(=O)N1Cc2ccc(Cl)cc2C1 ZINC000458260049 501405453 /nfs/dbraw/zinc/40/54/53/501405453.db2.gz VNKPIVJPFJSCHW-QGZVFWFLSA-N -1 3 370.836 3.193 20 0 FGADHM COc1cccc([C@@H]2C[C@H]2[N-]S(=O)(=O)c2cc(F)ccc2Cl)c1 ZINC000451958172 501408655 /nfs/dbraw/zinc/40/86/55/501408655.db2.gz GUPVAMBDUIQNIV-DZGCQCFKSA-N -1 3 355.818 3.322 20 0 FGADHM C[C@H]1C[C@H](O)CN(Cc2nc(=O)c3cc(-c4ccccc4)sc3[n-]2)C1 ZINC000452067726 501427997 /nfs/dbraw/zinc/42/79/97/501427997.db2.gz MXVIBHMBLFAPSK-JSGCOSHPSA-N -1 3 355.463 3.267 20 0 FGADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)C3=CC[C@@H](C)CC3)c2)[n-]1 ZINC000456021464 501439695 /nfs/dbraw/zinc/43/96/95/501439695.db2.gz HNBKLBVKMRYEKF-CYBMUJFWSA-N -1 3 368.437 3.011 20 0 FGADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)C3=CC[C@@H](C)CC3)c2)n[n-]1 ZINC000456021464 501439697 /nfs/dbraw/zinc/43/96/97/501439697.db2.gz HNBKLBVKMRYEKF-CYBMUJFWSA-N -1 3 368.437 3.011 20 0 FGADHM COC[C@@]1(C(=O)[O-])CCCN(Cc2cc(Cl)ccc2OCC2CC2)C1 ZINC000582492298 506253451 /nfs/dbraw/zinc/25/34/51/506253451.db2.gz UDGZBSOUCIDSGU-LJQANCHMSA-N -1 3 367.873 3.442 20 0 FGADHM Cc1o[n-]c(=NC(=O)c2nn(-c3ccc(C)cc3C)c3c2CCC3)c1C ZINC000452169807 501450832 /nfs/dbraw/zinc/45/08/32/501450832.db2.gz YAIMGBTYQZPQGJ-UHFFFAOYSA-N -1 3 350.422 3.257 20 0 FGADHM CCC(CC)c1cc(C(=O)[N-]c2ccc(F)c(S(C)(=O)=O)c2)on1 ZINC000456193390 501472137 /nfs/dbraw/zinc/47/21/37/501472137.db2.gz OOVHRXSOZRSHGM-UHFFFAOYSA-N -1 3 354.403 3.373 20 0 FGADHM COc1cc(C(=O)NCC2(c3ccc(C)cc3C)CC2)cc(OC)c1[O-] ZINC000452295836 501473017 /nfs/dbraw/zinc/47/30/17/501473017.db2.gz AXXRXURCZDAROJ-UHFFFAOYSA-N -1 3 355.434 3.488 20 0 FGADHM CC(C)c1nnc(CNC(=O)c2cc(Cc3ccccc3)ccc2[O-])[nH]1 ZINC000452417261 501496195 /nfs/dbraw/zinc/49/61/95/501496195.db2.gz IMWGLAYELHJBLY-UHFFFAOYSA-N -1 3 350.422 3.155 20 0 FGADHM CC[C@H](C)[C@@H](CNC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1)OC ZINC000454274298 501499307 /nfs/dbraw/zinc/49/93/07/501499307.db2.gz GNWOHAJMXWANQX-YVEFUNNKSA-N -1 3 358.442 3.340 20 0 FGADHM O=C(NCc1ncc(C(F)(F)F)cn1)c1ccc2c(c1[O-])CCCC2 ZINC000452706115 501548473 /nfs/dbraw/zinc/54/84/73/501548473.db2.gz XKFRPXMAEKBZMK-UHFFFAOYSA-N -1 3 351.328 3.010 20 0 FGADHM C[C@H](NC(=O)c1cc([O-])ccc1Cl)C(=O)N1c2ccccc2C[C@@H]1C ZINC000456646357 501565848 /nfs/dbraw/zinc/56/58/48/501565848.db2.gz OMXFVBNGJRBOAN-RYUDHWBXSA-N -1 3 358.825 3.142 20 0 FGADHM Cc1ccc(CN(C)C(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])cc1C ZINC000456960427 501626199 /nfs/dbraw/zinc/62/61/99/501626199.db2.gz LDRVLINZBLUINW-LJQANCHMSA-N -1 3 366.461 3.272 20 0 FGADHM CCCN(CC(=O)Nc1ccccc1C)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000459310832 501628691 /nfs/dbraw/zinc/62/86/91/501628691.db2.gz RODLXGFCAXTBBL-UHFFFAOYSA-N -1 3 354.454 3.219 20 0 FGADHM CCOc1cc(CN2CCC[C@H]2C(=O)N(CC)CC)cc(Cl)c1[O-] ZINC000459321070 501629908 /nfs/dbraw/zinc/62/99/08/501629908.db2.gz GOYIAULJWNDPTE-HNNXBMFYSA-N -1 3 354.878 3.277 20 0 FGADHM CCOc1cc(CN2CCC[C@@H](NC(=O)C(C)C)C2)cc(Cl)c1[O-] ZINC000459321896 501630716 /nfs/dbraw/zinc/63/07/16/501630716.db2.gz HRWRTSBNEQHTQM-CQSZACIVSA-N -1 3 354.878 3.181 20 0 FGADHM Cc1noc([C@@H]2CCCN(Cc3cccc([O-])c3Br)C2)n1 ZINC000459330920 501632241 /nfs/dbraw/zinc/63/22/41/501632241.db2.gz SEMWSKSFXPAKIF-GFCCVEGCSA-N -1 3 352.232 3.226 20 0 FGADHM CC(C)(C)C[C@H]1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])C1 ZINC000457004467 501633661 /nfs/dbraw/zinc/63/36/61/501633661.db2.gz CDABSBLVVGPAPE-WBVHZDCISA-N -1 3 358.482 3.282 20 0 FGADHM Cc1cnn([C@H]2CCCN(Cc3cccc([O-])c3Br)C2)c1 ZINC000459335420 501633787 /nfs/dbraw/zinc/63/37/87/501633787.db2.gz ODWFJXUMMKVIAE-AWEZNQCLSA-N -1 3 350.260 3.497 20 0 FGADHM [O-]c1cccc(CN2CCC[C@](O)(C(F)(F)F)C2)c1Br ZINC000459351976 501637465 /nfs/dbraw/zinc/63/74/65/501637465.db2.gz VNISTSMWLSRMIP-GFCCVEGCSA-N -1 3 354.166 3.044 20 0 FGADHM CC(C)N(CC(=O)Nc1ccc(F)cc1)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000459371484 501641385 /nfs/dbraw/zinc/64/13/85/501641385.db2.gz PQKRNSIMAGSONG-UHFFFAOYSA-N -1 3 358.417 3.048 20 0 FGADHM CC(C)(NCc1cc(=O)[n-]c(-c2ccccc2)n1)C(=O)NCC1CCCC1 ZINC000459378745 501642792 /nfs/dbraw/zinc/64/27/92/501642792.db2.gz WSHRKEIPIFPNSW-UHFFFAOYSA-N -1 3 368.481 3.024 20 0 FGADHM O=c1cc(CN(C[C@H]2CCCO2)[C@H]2CCSC2)nc(-c2ccccc2)[n-]1 ZINC000459396992 501646191 /nfs/dbraw/zinc/64/61/91/501646191.db2.gz WGZNAAINPBMNSH-ZWKOTPCHSA-N -1 3 371.506 3.336 20 0 FGADHM CCc1ccc([O-])c(C(=O)N(C)C2CCN(CCC(F)(F)F)CC2)c1 ZINC000457083753 501646994 /nfs/dbraw/zinc/64/69/94/501646994.db2.gz KSSHJYXWERYPAE-UHFFFAOYSA-N -1 3 358.404 3.443 20 0 FGADHM O=c1cc(CN[C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)nc(C2CC2)[n-]1 ZINC000459432960 501653097 /nfs/dbraw/zinc/65/30/97/501653097.db2.gz ZPEIIYJDQBBPJT-DOTOQJQBSA-N -1 3 363.820 3.472 20 0 FGADHM [O-]c1cccc(CNC[C@H](CO)Cc2ccccc2)c1Br ZINC000459461637 501657900 /nfs/dbraw/zinc/65/79/00/501657900.db2.gz GJCOFPJTJKHZDW-CQSZACIVSA-N -1 3 350.256 3.096 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc(C4CC4)n(C)n3)c2)n1 ZINC000607797404 506266495 /nfs/dbraw/zinc/26/64/95/506266495.db2.gz XQCLHERFPLMHAT-UHFFFAOYSA-N -1 3 363.421 3.275 20 0 FGADHM CCOc1cc(CN2CCOC[C@H]2[C@H]2CCCC2=O)cc(Cl)c1[O-] ZINC000459499413 501664662 /nfs/dbraw/zinc/66/46/62/501664662.db2.gz AMBBVIZJAHLIPZ-HIFRSBDPSA-N -1 3 353.846 3.014 20 0 FGADHM CCC1CN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)C1 ZINC000457306197 501679182 /nfs/dbraw/zinc/67/91/82/501679182.db2.gz JMDJNQKCUDCSKJ-UHFFFAOYSA-N -1 3 362.426 3.109 20 0 FGADHM CN(Cc1cccc([O-])c1Br)C[C@@H](O)Cc1ccccc1 ZINC000459593746 501683262 /nfs/dbraw/zinc/68/32/62/501683262.db2.gz QWBCEPSPVPQOAY-HNNXBMFYSA-N -1 3 350.256 3.190 20 0 FGADHM C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)N1C(=O)N=c1cc(OC(F)F)n(C)[n-]1 ZINC000455206401 501707663 /nfs/dbraw/zinc/70/76/63/501707663.db2.gz KCNBKGGQRSWRRB-DJLDLDEBSA-N -1 3 370.322 3.027 20 0 FGADHM C[C@H](CN(C)Cc1nc2c3ccccc3oc2c(=O)[n-]1)C(=O)OC(C)(C)C ZINC000459818819 501717862 /nfs/dbraw/zinc/71/78/62/501717862.db2.gz YURIVZIPPUQXHF-GFCCVEGCSA-N -1 3 371.437 3.491 20 0 FGADHM CC[C@@H](C)[C@@H]([N-]S(C)(=O)=O)C(=O)Nc1ccc(OCCC(C)C)cc1 ZINC000467202391 501736248 /nfs/dbraw/zinc/73/62/48/501736248.db2.gz ROJQAFXLPBUDKH-RHSMWYFYSA-N -1 3 370.515 3.014 20 0 FGADHM CC(C)[C@@H]1CCC[C@H](NC(=O)[C@H](C)[N-]S(=O)(=O)c2cccs2)CC1 ZINC000470593877 501738622 /nfs/dbraw/zinc/73/86/22/501738622.db2.gz BMLAWXVFIANXFN-ZNMIVQPWSA-N -1 3 372.556 3.136 20 0 FGADHM CC(=O)NCc1ccc(S(=O)(=O)[N-][C@H](C)[C@@H](C)C2CCCCC2)s1 ZINC000481338815 501749108 /nfs/dbraw/zinc/74/91/08/501749108.db2.gz LVGHURMFIBTJMN-CHWSQXEVSA-N -1 3 372.556 3.267 20 0 FGADHM COC(=O)c1c(F)ccc([N-]C(=O)c2c(C)onc2-c2ccccn2)c1F ZINC000485182465 501749594 /nfs/dbraw/zinc/74/95/94/501749594.db2.gz ZCTFYOXOKBKPBP-UHFFFAOYSA-N -1 3 373.315 3.362 20 0 FGADHM COc1ccc(OC)c(NC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)c1 ZINC000485391054 501807171 /nfs/dbraw/zinc/80/71/71/501807171.db2.gz WEPDHNFUROVNIH-UHFFFAOYSA-N -1 3 360.316 3.076 20 0 FGADHM COc1ccc(OC)c(NC(=O)c2cnc3c(F)cc(F)cc3c2[O-])c1 ZINC000485391054 501807173 /nfs/dbraw/zinc/80/71/73/501807173.db2.gz WEPDHNFUROVNIH-UHFFFAOYSA-N -1 3 360.316 3.076 20 0 FGADHM CCOC[C@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)C(C)C ZINC000474382862 501815071 /nfs/dbraw/zinc/81/50/71/501815071.db2.gz XNGMSXKMQHHOBK-LBPRGKRZSA-N -1 3 357.369 3.184 20 0 FGADHM CCCC(=O)Nc1ccc(C(=O)[C@@H](C)Sc2n[n-]c(COC)n2)cc1 ZINC000474383286 501815427 /nfs/dbraw/zinc/81/54/27/501815427.db2.gz AQPWTPOZWQOTLM-LLVKDONJSA-N -1 3 362.455 3.053 20 0 FGADHM CC[C@@H](C)N(C)CCNC(=O)N=c1[n-]nc(-c2cccc(Cl)c2)s1 ZINC000481576044 501820091 /nfs/dbraw/zinc/82/00/91/501820091.db2.gz QWKZYQRIDIAGOI-LLVKDONJSA-N -1 3 367.906 3.132 20 0 FGADHM COCc1nc(SCC(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)n[n-]1 ZINC000474398005 501820949 /nfs/dbraw/zinc/82/09/49/501820949.db2.gz UEERLPJJWHBFNF-UHFFFAOYSA-N -1 3 374.510 3.358 20 0 FGADHM CCCOc1cccc([N-]S(=O)(=O)CCOc2ccc(F)cc2)c1 ZINC000460453070 501828062 /nfs/dbraw/zinc/82/80/62/501828062.db2.gz SRXVXCNXGATCSW-UHFFFAOYSA-N -1 3 353.415 3.435 20 0 FGADHM CCc1ncc(S(=O)(=O)[N-][C@@H]2CC[C@@H](c3ccccc3F)C2)s1 ZINC000481608633 501831542 /nfs/dbraw/zinc/83/15/42/501831542.db2.gz WKTCJHLUFVFNKS-VXGBXAGGSA-N -1 3 354.472 3.459 20 0 FGADHM COc1ccc2c(c1)CCC[C@H]2C[N-]S(=O)(=O)c1sc(C)nc1C ZINC000463868614 501842691 /nfs/dbraw/zinc/84/26/91/501842691.db2.gz GQZLGRRILNXZGF-AWEZNQCLSA-N -1 3 366.508 3.167 20 0 FGADHM CCN(CCc1cccs1)C(=O)c1c[n-]c2cc(OC)ccc2c1=O ZINC000481681655 501846921 /nfs/dbraw/zinc/84/69/21/501846921.db2.gz DDJFKCILHDRCTD-UHFFFAOYSA-N -1 3 356.447 3.303 20 0 FGADHM O=S(=O)([N-][C@H]1CCc2c[nH]nc2C1)c1c(Cl)ccc2ccccc21 ZINC000467779331 501870132 /nfs/dbraw/zinc/87/01/32/501870132.db2.gz YPAILDFSXSJFTP-ZDUSSCGKSA-N -1 3 361.854 3.052 20 0 FGADHM Cc1ccc([C@@H]2OCCC[C@H]2[N-]S(=O)(=O)c2ccc(F)cc2F)cc1 ZINC000467792341 501874544 /nfs/dbraw/zinc/87/45/44/501874544.db2.gz DVPJLKGUGWMGGG-AEFFLSMTSA-N -1 3 367.417 3.472 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)s1)[C@H](c1ccccc1)N(C)C ZINC000474571888 501879114 /nfs/dbraw/zinc/87/91/14/501879114.db2.gz BUJFDJYLPLKLFJ-XHDPSFHLSA-N -1 3 358.916 3.371 20 0 FGADHM Cc1ccc(F)c(S(=O)(=O)[N-][C@@H](C)[C@@H](c2ccccc2)N(C)C)c1 ZINC000474572276 501880940 /nfs/dbraw/zinc/88/09/40/501880940.db2.gz CSVNMBYGXZBVOF-KSSFIOAISA-N -1 3 350.459 3.104 20 0 FGADHM O=C(NCc1ncccc1[O-])Nc1ccc(F)cc1OCC(F)(F)F ZINC000467919774 501906744 /nfs/dbraw/zinc/90/67/44/501906744.db2.gz NOJLAJISYWBVCL-UHFFFAOYSA-N -1 3 359.279 3.189 20 0 FGADHM COc1cc(F)c([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)cc1F ZINC000467925169 501907244 /nfs/dbraw/zinc/90/72/44/501907244.db2.gz WJKCBMFCHXIZAN-UHFFFAOYSA-N -1 3 353.268 3.192 20 0 FGADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)c1cccc(OC2CCCCC2)c1 ZINC000481912339 501916571 /nfs/dbraw/zinc/91/65/71/501916571.db2.gz WKJTWMFCKLCXIM-UHFFFAOYSA-N -1 3 368.359 3.465 20 0 FGADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)c1cccc(OC2CCCCC2)c1 ZINC000481912339 501916573 /nfs/dbraw/zinc/91/65/73/501916573.db2.gz WKJTWMFCKLCXIM-UHFFFAOYSA-N -1 3 368.359 3.465 20 0 FGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1cccc(OC2CCCCC2)c1 ZINC000481912339 501916577 /nfs/dbraw/zinc/91/65/77/501916577.db2.gz WKJTWMFCKLCXIM-UHFFFAOYSA-N -1 3 368.359 3.465 20 0 FGADHM C[C@H](CS(=O)(=O)[N-]CC(=O)c1ccccc1Cl)c1ccccc1 ZINC000464197872 501920063 /nfs/dbraw/zinc/92/00/63/501920063.db2.gz MEPZMXSSWVBOBH-CYBMUJFWSA-N -1 3 351.855 3.246 20 0 FGADHM Cc1ccc(OCCCCNC(=O)c2c[n-]c3ccccc3c2=O)cc1 ZINC000485737187 501920314 /nfs/dbraw/zinc/92/03/14/501920314.db2.gz SAHYWJDVAZYWOG-UHFFFAOYSA-N -1 3 350.418 3.426 20 0 FGADHM CCCc1nnc([N-]C(=O)c2cc(Br)c(C)nc2OC)s1 ZINC000485756512 501925972 /nfs/dbraw/zinc/92/59/72/501925972.db2.gz XFVBPXMRKXHSED-UHFFFAOYSA-N -1 3 371.260 3.217 20 0 FGADHM CC(C)(C)c1ccccc1S(=O)(=O)[N-]c1ccncc1Br ZINC000481958705 501929114 /nfs/dbraw/zinc/92/91/14/501929114.db2.gz CRGPLYYUGYKYFZ-UHFFFAOYSA-N -1 3 369.284 3.364 20 0 FGADHM COC(=O)CCc1ccc([N-]S(=O)(=O)c2cc(C)c(F)c(C)c2)cc1 ZINC000460827609 501930131 /nfs/dbraw/zinc/93/01/31/501930131.db2.gz GUFDRCQJUGRJEQ-UHFFFAOYSA-N -1 3 365.426 3.349 20 0 FGADHM CCN(CC1CCC1)C(=O)Cc1csc(NC(=O)c2cccc([O-])c2)n1 ZINC000478332572 501945748 /nfs/dbraw/zinc/94/57/48/501945748.db2.gz RRGDXWFBMKIUSI-UHFFFAOYSA-N -1 3 373.478 3.292 20 0 FGADHM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)c1ccc(Cl)cc1Cl ZINC000474777102 501949160 /nfs/dbraw/zinc/94/91/60/501949160.db2.gz VXHJSEWKKADZKQ-UHFFFAOYSA-N -1 3 371.176 3.147 20 0 FGADHM COc1cc(Cl)c(Cl)cc1[N-]C(=O)c1ccc(S(C)(=O)=O)o1 ZINC000482022843 501949877 /nfs/dbraw/zinc/94/98/77/501949877.db2.gz UQQGELSJCYVPSA-UHFFFAOYSA-N -1 3 364.206 3.251 20 0 FGADHM COc1cccc(-c2nc(C(=O)[N-]c3cccnc3OC(C)C)no2)c1 ZINC000471191206 501950220 /nfs/dbraw/zinc/95/02/20/501950220.db2.gz MCRKZPJBEHNBRG-UHFFFAOYSA-N -1 3 354.366 3.180 20 0 FGADHM CCc1ncc(S(=O)(=O)[N-][C@H](C)Cc2nc3ccccc3s2)s1 ZINC000460894500 501952718 /nfs/dbraw/zinc/95/27/18/501952718.db2.gz AYCYEIBTHAMZHA-SNVBAGLBSA-N -1 3 367.521 3.225 20 0 FGADHM CCN=c1[n-]c(C(=O)N[C@@H]2C[C@H]2c2ccc(Br)s2)cs1 ZINC000482034752 501953971 /nfs/dbraw/zinc/95/39/71/501953971.db2.gz WNZHFBMKYJGHMC-HTQZYQBOSA-N -1 3 372.313 3.107 20 0 FGADHM O=C(NCc1ncccc1[O-])Nc1cccc(COCc2ccco2)c1 ZINC000471206089 501955716 /nfs/dbraw/zinc/95/57/16/501955716.db2.gz BSMLSECWSHGGJA-UHFFFAOYSA-N -1 3 353.378 3.419 20 0 FGADHM CCc1ncc(S(=O)(=O)[N-]Cc2ccc(Br)s2)s1 ZINC000460952193 501968690 /nfs/dbraw/zinc/96/86/90/501968690.db2.gz BARNFMZIDKOUNK-UHFFFAOYSA-N -1 3 367.315 3.008 20 0 FGADHM C[C@@H]1CN(C(=O)N=c2cc3ccc(Br)cn3[n-]2)C(C)(C)C1 ZINC000482085819 501969906 /nfs/dbraw/zinc/96/99/06/501969906.db2.gz VQEZOCPGUOPBRH-JTQLQIEISA-N -1 3 351.248 3.171 20 0 FGADHM O=S(=O)([N-]CCc1c[nH]c2cc(F)ccc12)c1cc(F)c(F)c(F)c1 ZINC000485878438 501972590 /nfs/dbraw/zinc/97/25/90/501972590.db2.gz UYNSKCFDHVRLQO-UHFFFAOYSA-N -1 3 372.343 3.245 20 0 FGADHM CCc1ncc(S(=O)(=O)[N-]CCCCOc2ccc(C)cc2)s1 ZINC000460963764 501972664 /nfs/dbraw/zinc/97/26/64/501972664.db2.gz ZICYQMWWUBDFBV-UHFFFAOYSA-N -1 3 354.497 3.151 20 0 FGADHM COc1ccccc1[C@@H](CC(C)C)[N-]S(=O)(=O)Cc1cc(C)no1 ZINC000485884420 501974627 /nfs/dbraw/zinc/97/46/27/501974627.db2.gz SCWFTFUZHSNQGO-MRXNPFEDSA-N -1 3 352.456 3.198 20 0 FGADHM C[C@@H](N(C)C(=O)N=c1cc2ccc(Br)cn2[n-]1)C1(C)CC1 ZINC000482127604 501983690 /nfs/dbraw/zinc/98/36/90/501983690.db2.gz DUBOLPHXIPKKDR-SNVBAGLBSA-N -1 3 351.248 3.171 20 0 FGADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)NCCCCF)CC1 ZINC000464446342 501992152 /nfs/dbraw/zinc/99/21/52/501992152.db2.gz AMHCVMTZIBXWFC-UHFFFAOYSA-N -1 3 371.840 3.155 20 0 FGADHM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)c1cc2cc(C)ccc2s1 ZINC000464461644 501995896 /nfs/dbraw/zinc/99/58/96/501995896.db2.gz PTWKINSGWBRFAQ-UHFFFAOYSA-N -1 3 372.402 3.363 20 0 FGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000464468601 501998252 /nfs/dbraw/zinc/99/82/52/501998252.db2.gz BNHLTNMFMYHAFO-NEPJUHHUSA-N -1 3 359.311 3.026 20 0 FGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000464468601 501998255 /nfs/dbraw/zinc/99/82/55/501998255.db2.gz BNHLTNMFMYHAFO-NEPJUHHUSA-N -1 3 359.311 3.026 20 0 FGADHM CC[C@H]1C[C@H](C)CN1C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482189151 502001864 /nfs/dbraw/zinc/00/18/64/502001864.db2.gz VHSPWJASJXRXRP-JQWIXIFHSA-N -1 3 351.248 3.171 20 0 FGADHM Cc1nc(-c2cccc(C(=O)NCc3nnc(C(F)(F)F)[n-]3)c2)cs1 ZINC000482208362 502007889 /nfs/dbraw/zinc/00/78/89/502007889.db2.gz FYYZKOYYAORBGM-UHFFFAOYSA-N -1 3 367.356 3.185 20 0 FGADHM Cc1nc(-c2cccc(C(=O)NCc3n[n-]c(C(F)(F)F)n3)c2)cs1 ZINC000482208362 502007894 /nfs/dbraw/zinc/00/78/94/502007894.db2.gz FYYZKOYYAORBGM-UHFFFAOYSA-N -1 3 367.356 3.185 20 0 FGADHM Cc1nc(-c2cccc(C(=O)NCc3nc(C(F)(F)F)n[n-]3)c2)cs1 ZINC000482208362 502007897 /nfs/dbraw/zinc/00/78/97/502007897.db2.gz FYYZKOYYAORBGM-UHFFFAOYSA-N -1 3 367.356 3.185 20 0 FGADHM CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CNC(=O)c1cccc([O-])c1 ZINC000471396387 502010982 /nfs/dbraw/zinc/01/09/82/502010982.db2.gz BBQRPBSOQSWNKP-UHFFFAOYSA-N -1 3 367.232 3.087 20 0 FGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)N1C[C@@H]2CCCC[C@H]2C1 ZINC000482229225 502012596 /nfs/dbraw/zinc/01/25/96/502012596.db2.gz FBSXVBGTOMOLFQ-RYUDHWBXSA-N -1 3 363.259 3.173 20 0 FGADHM CCc1cc(=O)[n-]c(CN2CCN([C@H](C)c3ccc(Cl)cc3)CC2)n1 ZINC000468277661 502014983 /nfs/dbraw/zinc/01/49/83/502014983.db2.gz NOXMKGIMTCVFQH-CQSZACIVSA-N -1 3 360.889 3.277 20 0 FGADHM CCCN(CC(=O)Nc1ccc(Cl)cc1)Cc1nc(CC)cc(=O)[n-]1 ZINC000468280245 502015035 /nfs/dbraw/zinc/01/50/35/502015035.db2.gz GRCMIQDJULMQNN-UHFFFAOYSA-N -1 3 362.861 3.249 20 0 FGADHM CC1CCC(C)(CNC(=O)N2CCN(C(=O)c3cccc([O-])c3)CC2)CC1 ZINC000474999211 502017390 /nfs/dbraw/zinc/01/73/90/502017390.db2.gz FUVHZWKTLGUURM-UHFFFAOYSA-N -1 3 373.497 3.076 20 0 FGADHM Cn1ncc2c1ncc(C(=O)N[C@H]1C[C@H](c3ccc(Cl)cc3)C1)c2[O-] ZINC000478558224 502017615 /nfs/dbraw/zinc/01/76/15/502017615.db2.gz TVMGCMYHWXAVKR-AULYBMBSSA-N -1 3 356.813 3.003 20 0 FGADHM [O-]c1ccc(Cc2nc(-c3ccc(-n4cccn4)nc3)no2)c(Cl)c1 ZINC000486087382 502042438 /nfs/dbraw/zinc/04/24/38/502042438.db2.gz OZSSIVPEUKYTBY-UHFFFAOYSA-N -1 3 353.769 3.267 20 0 FGADHM Cn1[n-]c(-c2ccccc2Cl)nc1=NC(=O)Cc1cccc(F)c1F ZINC000461221283 502044074 /nfs/dbraw/zinc/04/40/74/502044074.db2.gz VMKAEFGBEYJZPO-UHFFFAOYSA-N -1 3 362.767 3.017 20 0 FGADHM C[C@@H](C(=O)N=c1nc(-c2ccccc2Cl)[n-]n1C)c1ccccc1F ZINC000461229610 502045735 /nfs/dbraw/zinc/04/57/35/502045735.db2.gz NUYNLRPTOAENST-LLVKDONJSA-N -1 3 358.804 3.439 20 0 FGADHM COc1cccc([C@@H](C)C(=O)N=c2nc(-c3ccccc3Cl)[n-]n2C)c1 ZINC000461238771 502049474 /nfs/dbraw/zinc/04/94/74/502049474.db2.gz HGKSVQPWFVGUTR-GFCCVEGCSA-N -1 3 370.840 3.308 20 0 FGADHM Cn1[n-]c(-c2ccccc2Cl)nc1=NC(=O)c1cccc2ncccc21 ZINC000461245481 502050385 /nfs/dbraw/zinc/05/03/85/502050385.db2.gz VMXOHIIVJGOOOY-UHFFFAOYSA-N -1 3 363.808 3.358 20 0 FGADHM O=S(=O)(C=C([O-])c1cnc2[nH]cccc1-2)c1cccc(C(F)(F)F)c1 ZINC000468412815 502051132 /nfs/dbraw/zinc/05/11/32/502051132.db2.gz WOPDIXXVGNYTMA-UHFFFAOYSA-N -1 3 368.336 3.238 20 0 FGADHM CCc1ccccc1S(=O)(=O)[N-]c1cc(F)cc(C(=O)OC)c1F ZINC000478672569 502051786 /nfs/dbraw/zinc/05/17/86/502051786.db2.gz GLZDVSHFOLPJNH-UHFFFAOYSA-N -1 3 355.362 3.115 20 0 FGADHM CCCCN(CC)C(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000471548960 502061900 /nfs/dbraw/zinc/06/19/00/502061900.db2.gz BWRBDCHIENGHSQ-UHFFFAOYSA-N -1 3 366.405 3.339 20 0 FGADHM O=S(=O)(Cc1cc(Cl)ccc1F)[N-][C@@H]1COc2ccc(F)cc2C1 ZINC000582552315 506291049 /nfs/dbraw/zinc/29/10/49/506291049.db2.gz NJNSTQREQAKBOA-AWEZNQCLSA-N -1 3 373.808 3.041 20 0 FGADHM CS(=O)(=O)[N-]c1cc(C(=O)NC2CCCCC2)cc(C(F)(F)F)c1 ZINC000471566961 502067310 /nfs/dbraw/zinc/06/73/10/502067310.db2.gz RXBFODSXPNSOHV-UHFFFAOYSA-N -1 3 364.389 3.139 20 0 FGADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(C)nn(C)c3c2)c(C)c1 ZINC000461337540 502075480 /nfs/dbraw/zinc/07/54/80/502075480.db2.gz DASSBAPSJPAODS-UHFFFAOYSA-N -1 3 359.451 3.390 20 0 FGADHM CCOc1c(Cl)cccc1CC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000478749763 502075486 /nfs/dbraw/zinc/07/54/86/502075486.db2.gz WZOHQSXGFUABJZ-UHFFFAOYSA-N -1 3 357.801 3.100 20 0 FGADHM CCOc1c(Cl)cccc1CC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000478749763 502075491 /nfs/dbraw/zinc/07/54/91/502075491.db2.gz WZOHQSXGFUABJZ-UHFFFAOYSA-N -1 3 357.801 3.100 20 0 FGADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(C)nn(C)c3c2)cc1C ZINC000461345912 502077558 /nfs/dbraw/zinc/07/75/58/502077558.db2.gz USVQWERLHVMMPC-UHFFFAOYSA-N -1 3 359.451 3.308 20 0 FGADHM COc1cc(C(=O)N2CCC(C(=O)c3ccc(C)cc3)CC2)ccc1[O-] ZINC000464793948 502097367 /nfs/dbraw/zinc/09/73/67/502097367.db2.gz QBTBEMZGOPFAIF-UHFFFAOYSA-N -1 3 353.418 3.444 20 0 FGADHM NC(=O)CSc1ccccc1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000468539646 502097401 /nfs/dbraw/zinc/09/74/01/502097401.db2.gz DUGVEVQJBQULPP-UHFFFAOYSA-N -1 3 362.426 3.070 20 0 FGADHM CCOC(=O)c1ccc(NC(=O)c2ccc(OC3CC3)cc2OC)c([O-])c1 ZINC000478847262 502103263 /nfs/dbraw/zinc/10/32/63/502103263.db2.gz CIZNFUUIWIDKLD-UHFFFAOYSA-N -1 3 371.389 3.371 20 0 FGADHM CCCN(CCc1cccs1)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000468588200 502115432 /nfs/dbraw/zinc/11/54/32/502115432.db2.gz JUPAGBCYNANJAZ-UHFFFAOYSA-N -1 3 366.508 3.215 20 0 FGADHM C/C=C/c1ccc(NC(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C)c2)cc1 ZINC000486343491 502128734 /nfs/dbraw/zinc/12/87/34/502128734.db2.gz JIDOYNPDWMVMAG-ONEGZZNKSA-N -1 3 363.414 3.411 20 0 FGADHM CCOc1ncccc1C[N-]S(=O)(=O)c1oc2ccc(F)cc2c1C ZINC000471777851 502134612 /nfs/dbraw/zinc/13/46/12/502134612.db2.gz BLZZNFXYBLTTHL-UHFFFAOYSA-N -1 3 364.398 3.153 20 0 FGADHM COc1ccc(CNCc2ncccc2[O-])c(OCc2cccnc2)c1 ZINC000475339381 502140742 /nfs/dbraw/zinc/14/07/42/502140742.db2.gz QGEYVXKGMZGHAC-UHFFFAOYSA-N -1 3 351.406 3.060 20 0 FGADHM Cn1c2cc([O-])c(NC(=O)c3occc3-c3ccccc3)cc2n(C)c1=O ZINC000461621059 502155432 /nfs/dbraw/zinc/15/54/32/502155432.db2.gz RVDFQJNLIQBDOH-UHFFFAOYSA-N -1 3 363.373 3.095 20 0 FGADHM Cc1ccc(CCCCC(=O)Nc2cc3c(cc2[O-])n(C)c(=O)n3C)cc1 ZINC000461619466 502155705 /nfs/dbraw/zinc/15/57/05/502155705.db2.gz RBJSMYLTNLQNIU-UHFFFAOYSA-N -1 3 367.449 3.243 20 0 FGADHM CCc1c(NC(=O)CCc2c(C)nc(C)[n-]c2=O)cnn1C(CC)CC ZINC000482705241 502158029 /nfs/dbraw/zinc/15/80/29/502158029.db2.gz MROIQRWHHYQXPH-UHFFFAOYSA-N -1 3 359.474 3.490 20 0 FGADHM CC[C@@H](C)[C@H](C)NC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000471865406 502159063 /nfs/dbraw/zinc/15/90/63/502159063.db2.gz LITSOBGORPHSNO-ZJUUUORDSA-N -1 3 366.405 3.241 20 0 FGADHM COc1ccc(OC)c(CCNC(=O)CCCc2ccc([O-])c(F)c2)c1 ZINC000468746902 502168070 /nfs/dbraw/zinc/16/80/70/502168070.db2.gz RWMAPTCBUHAJBH-UHFFFAOYSA-N -1 3 361.413 3.230 20 0 FGADHM CCCCC[C@H]1CCCN1C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C)c1 ZINC000486491031 502169178 /nfs/dbraw/zinc/16/91/78/502169178.db2.gz RKGOTVZPHKWGQL-AWEZNQCLSA-N -1 3 371.478 3.310 20 0 FGADHM CC(C)(C)[C@@H](COc1ccccc1F)NC(=O)NCc1ncccc1[O-] ZINC000471913293 502170530 /nfs/dbraw/zinc/17/05/30/502170530.db2.gz ZRGKTIFOQKCPQI-QGZVFWFLSA-N -1 3 361.417 3.219 20 0 FGADHM O=C(CCCSc1ccc(Cl)cc1)Nc1nc(SCCO)n[n-]1 ZINC000475440533 502171372 /nfs/dbraw/zinc/17/13/72/502171372.db2.gz WJMHEKWTYNHWHD-UHFFFAOYSA-N -1 3 372.903 3.054 20 0 FGADHM O=C(CCCSc1ccc(Cl)cc1)Nc1n[n-]c(SCCO)n1 ZINC000475440533 502171373 /nfs/dbraw/zinc/17/13/73/502171373.db2.gz WJMHEKWTYNHWHD-UHFFFAOYSA-N -1 3 372.903 3.054 20 0 FGADHM O=C(CCCSc1ccc(Cl)cc1)Nc1nnc(SCCO)[n-]1 ZINC000475440533 502171371 /nfs/dbraw/zinc/17/13/71/502171371.db2.gz WJMHEKWTYNHWHD-UHFFFAOYSA-N -1 3 372.903 3.054 20 0 FGADHM COc1ccc(S(=O)(=O)[N-][C@@](C)(c2ccccc2)C(F)(F)F)cc1 ZINC000479130570 502171601 /nfs/dbraw/zinc/17/16/01/502171601.db2.gz OHRDDLOETQWURB-HNNXBMFYSA-N -1 3 359.369 3.451 20 0 FGADHM CCCOc1ccc(S(=O)(=O)[N-][C@@](C)(C2CC2)C(F)(F)F)cc1 ZINC000479159240 502179050 /nfs/dbraw/zinc/17/90/50/502179050.db2.gz HTWYGXRWGBYHDT-AWEZNQCLSA-N -1 3 351.390 3.485 20 0 FGADHM CC(C)OCC[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000468774777 502179529 /nfs/dbraw/zinc/17/95/29/502179529.db2.gz BHSCBZFPVRBAOK-UHFFFAOYSA-N -1 3 361.891 3.222 20 0 FGADHM CC[S@](=O)[C@H]1CCC[C@H](NC(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000468802524 502188780 /nfs/dbraw/zinc/18/87/80/502188780.db2.gz CMJCWBSFLOSCCU-ISQRANHSSA-N -1 3 355.475 3.050 20 0 FGADHM O=C(N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1)[C@@H]1C[C@@]12CCOC2 ZINC000461749941 502190394 /nfs/dbraw/zinc/19/03/94/502190394.db2.gz AYZODDBQLDAPTD-BLLLJJGKSA-N -1 3 352.221 3.171 20 0 FGADHM CC[C@H]1CCCN1C(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000472027742 502203575 /nfs/dbraw/zinc/20/35/75/502203575.db2.gz QMPBPDFRAVBQJG-ZDUSSCGKSA-N -1 3 364.389 3.092 20 0 FGADHM COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-]CCC(C)(C)C ZINC000475543036 502208360 /nfs/dbraw/zinc/20/83/60/502208360.db2.gz CALGJKFOTPCKGS-UHFFFAOYSA-N -1 3 363.907 3.470 20 0 FGADHM CC1(C)CC[C@H](NC(=O)NCc2nnc(C(F)(F)F)[n-]2)c2ccccc21 ZINC000482922434 502217091 /nfs/dbraw/zinc/21/70/91/502217091.db2.gz XQBMMKOIUQKBAT-LBPRGKRZSA-N -1 3 367.375 3.435 20 0 FGADHM CC1(C)CC[C@H](NC(=O)NCc2n[n-]c(C(F)(F)F)n2)c2ccccc21 ZINC000482922434 502217095 /nfs/dbraw/zinc/21/70/95/502217095.db2.gz XQBMMKOIUQKBAT-LBPRGKRZSA-N -1 3 367.375 3.435 20 0 FGADHM CC1(C)CC[C@H](NC(=O)NCc2nc(C(F)(F)F)n[n-]2)c2ccccc21 ZINC000482922434 502217100 /nfs/dbraw/zinc/21/71/00/502217100.db2.gz XQBMMKOIUQKBAT-LBPRGKRZSA-N -1 3 367.375 3.435 20 0 FGADHM CCc1cc(C(=O)Nc2ccc(OCC(=O)OC)c(Cl)c2)ccc1[O-] ZINC000486653883 502221344 /nfs/dbraw/zinc/22/13/44/502221344.db2.gz GULJIYMWDJMCPW-UHFFFAOYSA-N -1 3 363.797 3.412 20 0 FGADHM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(C)cc1C)c1ccc(C)c(C)c1 ZINC000468903530 502224071 /nfs/dbraw/zinc/22/40/71/502224071.db2.gz JRIHEFKNMKLORX-GOSISDBHSA-N -1 3 361.463 3.113 20 0 FGADHM O=C(Nc1nnc(-c2ccccn2)[n-]1)C1(Oc2ccc(Cl)cc2)CC1 ZINC000482996802 502239474 /nfs/dbraw/zinc/23/94/74/502239474.db2.gz BJBKBQQRVZKNRJ-UHFFFAOYSA-N -1 3 355.785 3.070 20 0 FGADHM O=C(Nc1nc(-c2ccccn2)n[n-]1)C1(Oc2ccc(Cl)cc2)CC1 ZINC000482996802 502239481 /nfs/dbraw/zinc/23/94/81/502239481.db2.gz BJBKBQQRVZKNRJ-UHFFFAOYSA-N -1 3 355.785 3.070 20 0 FGADHM O=C(Nc1n[n-]c(-c2ccccn2)n1)C1(Oc2ccc(Cl)cc2)CC1 ZINC000482996802 502239485 /nfs/dbraw/zinc/23/94/85/502239485.db2.gz BJBKBQQRVZKNRJ-UHFFFAOYSA-N -1 3 355.785 3.070 20 0 FGADHM COCc1ccccc1S(=O)(=O)[N-][C@@H](CC(C)(C)C)C(F)(F)F ZINC000486711001 502239629 /nfs/dbraw/zinc/23/96/29/502239629.db2.gz RAIAYGYSYOWIFA-ZDUSSCGKSA-N -1 3 353.406 3.478 20 0 FGADHM CCc1ccc(CS(=O)(=O)[N-][C@@H](C)c2noc(-c3ccccc3)n2)cc1 ZINC000468949350 502240473 /nfs/dbraw/zinc/24/04/73/502240473.db2.gz NDGPGCJKMUBSSV-AWEZNQCLSA-N -1 3 371.462 3.480 20 0 FGADHM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(C)cc1C)c1cc(C)cc(C)c1 ZINC000468974680 502249513 /nfs/dbraw/zinc/24/95/13/502249513.db2.gz PVYIJDLRVRFZMW-GOSISDBHSA-N -1 3 361.463 3.113 20 0 FGADHM CC[C@@H](NC(=O)NCc1nnc(C(F)(F)F)[n-]1)C(C)(C)c1ccccc1 ZINC000483083707 502266463 /nfs/dbraw/zinc/26/64/63/502266463.db2.gz LTVCVVPRHXGBLT-GFCCVEGCSA-N -1 3 369.391 3.379 20 0 FGADHM CC[C@@H](NC(=O)NCc1n[n-]c(C(F)(F)F)n1)C(C)(C)c1ccccc1 ZINC000483083707 502266469 /nfs/dbraw/zinc/26/64/69/502266469.db2.gz LTVCVVPRHXGBLT-GFCCVEGCSA-N -1 3 369.391 3.379 20 0 FGADHM CC[C@@H](NC(=O)NCc1nc(C(F)(F)F)n[n-]1)C(C)(C)c1ccccc1 ZINC000483083707 502266475 /nfs/dbraw/zinc/26/64/75/502266475.db2.gz LTVCVVPRHXGBLT-GFCCVEGCSA-N -1 3 369.391 3.379 20 0 FGADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)N[C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000483088385 502267911 /nfs/dbraw/zinc/26/79/11/502267911.db2.gz LEEPYROPYYHULD-CHWSQXEVSA-N -1 3 367.375 3.034 20 0 FGADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)N[C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000483088385 502267916 /nfs/dbraw/zinc/26/79/16/502267916.db2.gz LEEPYROPYYHULD-CHWSQXEVSA-N -1 3 367.375 3.034 20 0 FGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N[C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000483088385 502267921 /nfs/dbraw/zinc/26/79/21/502267921.db2.gz LEEPYROPYYHULD-CHWSQXEVSA-N -1 3 367.375 3.034 20 0 FGADHM CCCC[C@@H]([N-]S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2)C1CCC1 ZINC000465475444 502273693 /nfs/dbraw/zinc/27/36/93/502273693.db2.gz VHXMTINMXUYTFN-OAHLLOKOSA-N -1 3 368.474 3.348 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CSc3ccc(Br)cc32)o1 ZINC000486818285 502274772 /nfs/dbraw/zinc/27/47/72/502274772.db2.gz BMCXIYVVSHKJKM-LLVKDONJSA-N -1 3 374.281 3.476 20 0 FGADHM Cc1cc(F)c(S(=O)(=O)[N-]Cc2ccc(OC(F)F)cc2)cc1F ZINC000475742570 502276643 /nfs/dbraw/zinc/27/66/43/502276643.db2.gz RSAAAJGDUAEANX-UHFFFAOYSA-N -1 3 363.332 3.353 20 0 FGADHM CCc1ccc([C@@H]2COCCN2C(=O)c2c[n-]c3c(C)cccc3c2=O)o1 ZINC000483119347 502280378 /nfs/dbraw/zinc/28/03/78/502280378.db2.gz RWISQFDCXMHMGQ-KRWDZBQOSA-N -1 3 366.417 3.206 20 0 FGADHM C[C@H](CCO)C1(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)CCC1 ZINC000462076581 502297672 /nfs/dbraw/zinc/29/76/72/502297672.db2.gz ROTDAKANGDQAGT-SNVBAGLBSA-N -1 3 371.446 3.234 20 0 FGADHM C[C@H](C[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)N1CCC(C)CC1 ZINC000462107598 502309702 /nfs/dbraw/zinc/30/97/02/502309702.db2.gz ASPIJKSVGYAVGB-LLVKDONJSA-N -1 3 370.462 3.166 20 0 FGADHM CCOCCC1(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)CC1 ZINC000462113089 502312091 /nfs/dbraw/zinc/31/20/91/502312091.db2.gz VCOQUWGORLBAHO-UHFFFAOYSA-N -1 3 357.419 3.252 20 0 FGADHM Cc1cc(Br)c(S(=O)(=O)[N-]CC2CCSCC2)s1 ZINC000462129580 502317566 /nfs/dbraw/zinc/31/75/66/502317566.db2.gz KJMBRUUORIVFHI-UHFFFAOYSA-N -1 3 370.359 3.241 20 0 FGADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)NCC1(c2ccccc2Cl)CC1 ZINC000483243151 502324956 /nfs/dbraw/zinc/32/49/56/502324956.db2.gz YBRVFCHTFGNNMN-UHFFFAOYSA-N -1 3 373.766 3.008 20 0 FGADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)NCC1(c2ccccc2Cl)CC1 ZINC000483243151 502324962 /nfs/dbraw/zinc/32/49/62/502324962.db2.gz YBRVFCHTFGNNMN-UHFFFAOYSA-N -1 3 373.766 3.008 20 0 FGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)NCC1(c2ccccc2Cl)CC1 ZINC000483243151 502324965 /nfs/dbraw/zinc/32/49/65/502324965.db2.gz YBRVFCHTFGNNMN-UHFFFAOYSA-N -1 3 373.766 3.008 20 0 FGADHM C[C@H](C(=O)N=c1cc(-c2ccccc2)[n-][nH]1)n1ccc2ccccc2c1=O ZINC000483279417 502337107 /nfs/dbraw/zinc/33/71/07/502337107.db2.gz YXSOIOTVBNMDNR-CQSZACIVSA-N -1 3 358.401 3.013 20 0 FGADHM CC(C)[C@H]1OCCC[C@@H]1C[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000487092625 502356211 /nfs/dbraw/zinc/35/62/11/502356211.db2.gz 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3.433 20 0 FGADHM CCOCc1ccc(CNC(=O)c2ccc3[n-]c(OCC)nc3c2)cc1 ZINC000469521396 502449858 /nfs/dbraw/zinc/44/98/58/502449858.db2.gz AMUVIXDMHSSSPX-UHFFFAOYSA-N -1 3 353.422 3.428 20 0 FGADHM CCOCc1ccc(CNC(=O)c2ccc3nc(OCC)[n-]c3c2)cc1 ZINC000469521396 502449860 /nfs/dbraw/zinc/44/98/60/502449860.db2.gz AMUVIXDMHSSSPX-UHFFFAOYSA-N -1 3 353.422 3.428 20 0 FGADHM Cc1cc(Br)c(S(=O)(=O)[N-]CCc2ccccc2)s1 ZINC000462479440 502456724 /nfs/dbraw/zinc/45/67/24/502456724.db2.gz HEDDDKMZEWKBAC-UHFFFAOYSA-N -1 3 360.298 3.340 20 0 FGADHM CCCc1ccc(-c2ccc(NC(=O)c3[nH]c(=O)[n-]c(=O)c3N)cc2)cc1 ZINC000469540278 502456949 /nfs/dbraw/zinc/45/69/49/502456949.db2.gz QAMNFKMPZHXIQR-UHFFFAOYSA-N -1 3 364.405 3.342 20 0 FGADHM O=S(=O)([N-][C@@H]1C[C@H]1Cc1ccccc1)c1ccc(Br)s1 ZINC000462495952 502464939 /nfs/dbraw/zinc/46/49/39/502464939.db2.gz RLXJNXSEYWDUKE-VXGBXAGGSA-N -1 3 372.309 3.420 20 0 FGADHM O=S(=O)([N-]CCc1ccc(Cl)s1)c1cc(F)c(F)c(F)c1 ZINC000462509325 502470989 /nfs/dbraw/zinc/47/09/89/502470989.db2.gz DVJTXHBZVGFYHR-UHFFFAOYSA-N -1 3 355.790 3.340 20 0 FGADHM O=S(=O)([N-]c1ccc(OC(F)(F)F)cc1)c1ccc2c(c1)OCO2 ZINC000476465216 502496130 /nfs/dbraw/zinc/49/61/30/502496130.db2.gz WVKCLCITNBDZGD-UHFFFAOYSA-N -1 3 361.297 3.115 20 0 FGADHM CCOC(=O)[C@H](CC)N(Cc1nc2c3ccccc3oc2c(=O)[n-]1)C1CC1 ZINC000469699666 502506847 /nfs/dbraw/zinc/50/68/47/502506847.db2.gz GYOZLBKCFADOQV-AWEZNQCLSA-N -1 3 369.421 3.388 20 0 FGADHM CCN(C)S(=O)(=O)[N-]c1cnn(-c2ccccc2Cl)c1C(C)C ZINC000480229315 502507735 /nfs/dbraw/zinc/50/77/35/502507735.db2.gz PTUAOOGWWXBNOQ-UHFFFAOYSA-N -1 3 356.879 3.258 20 0 FGADHM CO[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000466233265 502511009 /nfs/dbraw/zinc/51/10/09/502511009.db2.gz GNUCTHIENJELSJ-NVXWUHKLSA-N -1 3 356.426 3.237 20 0 FGADHM CCOc1nc2ccc(C(=O)N3CCOC[C@@H]3c3ccc(CC)o3)cc2[n-]1 ZINC000469716551 502513692 /nfs/dbraw/zinc/51/36/92/502513692.db2.gz UPQNKMONLKSBNO-QGZVFWFLSA-N -1 3 369.421 3.331 20 0 FGADHM CCOc1nc2cc(C(=O)N3CCOC[C@@H]3c3ccc(CC)o3)ccc2[n-]1 ZINC000469716551 502513693 /nfs/dbraw/zinc/51/36/93/502513693.db2.gz UPQNKMONLKSBNO-QGZVFWFLSA-N -1 3 369.421 3.331 20 0 FGADHM CCOc1nc2cc(C(=O)NC[C@@H](C)Oc3ccccc3OC)ccc2[n-]1 ZINC000469720596 502515914 /nfs/dbraw/zinc/51/59/14/502515914.db2.gz IZJIKAGTJHYHNY-CYBMUJFWSA-N -1 3 369.421 3.168 20 0 FGADHM CCOc1nc2ccc(C(=O)NC[C@@H](C)Oc3ccccc3OC)cc2[n-]1 ZINC000469720596 502515920 /nfs/dbraw/zinc/51/59/20/502515920.db2.gz IZJIKAGTJHYHNY-CYBMUJFWSA-N -1 3 369.421 3.168 20 0 FGADHM C[C@@H](C[N-]S(=O)(=O)c1cc(F)ccc1Cl)Oc1cccc(F)c1 ZINC000462708331 502542356 /nfs/dbraw/zinc/54/23/56/502542356.db2.gz RQSUJIBWAHGPCR-JTQLQIEISA-N -1 3 361.797 3.364 20 0 FGADHM COc1ccc2c(c1OC)CCN(C(=O)CCCc1ccc([O-])c(F)c1)C2 ZINC000469811262 502554744 /nfs/dbraw/zinc/55/47/44/502554744.db2.gz UBLZADRAWLGTKC-UHFFFAOYSA-N -1 3 373.424 3.456 20 0 FGADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)Nc1ccc2oc(C3CC3)nc2c1 ZINC000480454881 502573522 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COCCC[C@H](Cc1ccccc1)NC(=O)c1c[n-]c2ccccc2c1=O ZINC000473523379 502622265 /nfs/dbraw/zinc/62/22/65/502622265.db2.gz HWSATDFDKORVSA-QGZVFWFLSA-N -1 3 364.445 3.296 20 0 FGADHM COCCC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccc(C)c1F ZINC000480637036 502629498 /nfs/dbraw/zinc/62/94/98/502629498.db2.gz ZXXYJSULHBGSFP-QGZVFWFLSA-N -1 3 365.470 3.450 20 0 FGADHM O=C(C[C@@H](Cc1ccccc1)c1ccccc1)N1CCc2nc[n-]c(=O)c2C1 ZINC000476963597 502635058 /nfs/dbraw/zinc/63/50/58/502635058.db2.gz CXVHGUIOXKUZEI-LJQANCHMSA-N -1 3 373.456 3.484 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]CCc2c[nH]c3cc(C)ccc23)c(F)c1 ZINC000480673118 502638577 /nfs/dbraw/zinc/63/85/77/502638577.db2.gz ICTAUUFGFLKVFM-UHFFFAOYSA-N -1 3 362.426 3.145 20 0 FGADHM CC(C)OC(=O)CC[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000480741014 502657934 /nfs/dbraw/zinc/65/79/34/502657934.db2.gz YEKGXPCIEVGXAS-JTQLQIEISA-N -1 3 368.282 3.392 20 0 FGADHM COc1ccc(S(=O)(=O)[N-][C@H](C)[C@H](OC)c2ccc(F)cc2)c(F)c1 ZINC000480741327 502658205 /nfs/dbraw/zinc/65/82/05/502658205.db2.gz YHNWIDLTPLEFMG-DIFFPNOSSA-N -1 3 371.405 3.028 20 0 FGADHM CCOc1ccc(-c2nc(C(=O)NCc3ncccc3[O-])cs2)cc1 ZINC000473639042 502663059 /nfs/dbraw/zinc/66/30/59/502663059.db2.gz CEAVTXSAEHZUQT-UHFFFAOYSA-N -1 3 355.419 3.239 20 0 FGADHM CC(C)c1cc(C(=O)NCc2ncccc2[O-])c2cnn(C(C)C)c2n1 ZINC000473642424 502664277 /nfs/dbraw/zinc/66/42/77/502664277.db2.gz YJYAPWCXOJREJS-UHFFFAOYSA-N -1 3 353.426 3.166 20 0 FGADHM C[C@@H](Cc1cccc(O)c1)NC(=O)Cc1ccc(Br)cc1[O-] ZINC000480810629 502677755 /nfs/dbraw/zinc/67/77/55/502677755.db2.gz YWXYGXZFYPKKBM-NSHDSACASA-N -1 3 364.239 3.150 20 0 FGADHM CCc1cnc(C[N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)o1 ZINC000477129523 502686510 /nfs/dbraw/zinc/68/65/10/502686510.db2.gz TVWRAOLSOOEVBS-UHFFFAOYSA-N -1 3 368.764 3.388 20 0 FGADHM Cc1cc(Sc2ncccn2)ccc1[N-]S(=O)(=O)CCOC(C)C ZINC000484636217 502690904 /nfs/dbraw/zinc/69/09/04/502690904.db2.gz UDKKMLQSADCZTM-UHFFFAOYSA-N -1 3 367.496 3.103 20 0 FGADHM Cc1nc2ccc(Br)cn2c1C(=O)Nc1nc(C)ccc1[O-] ZINC000477161811 502695361 /nfs/dbraw/zinc/69/53/61/502695361.db2.gz JDNXBNPZHJQXCJ-UHFFFAOYSA-N -1 3 361.199 3.067 20 0 FGADHM O=C(Nc1cc2c(cc1F)CCC(=O)N2)c1c[n-]nc1-c1ccccc1 ZINC000463106040 502696228 /nfs/dbraw/zinc/69/62/28/502696228.db2.gz HVCGPBMUCAXAGB-UHFFFAOYSA-N -1 3 350.353 3.353 20 0 FGADHM Cc1nc(C)c(S(=O)(=O)[N-]C[C@H](C)Oc2ccccc2Cl)s1 ZINC000480874513 502696709 /nfs/dbraw/zinc/69/67/09/502696709.db2.gz YPBFBUNDECCUIX-VIFPVBQESA-N -1 3 360.888 3.159 20 0 FGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@@H](C(C)C)C(C)(C)O)s2)cs1 ZINC000480884283 502698206 /nfs/dbraw/zinc/69/82/06/502698206.db2.gz WVJBTDLZGMKBGJ-AWEZNQCLSA-N -1 3 374.553 3.254 20 0 FGADHM COc1ccc(CNC(=O)Cc2ccc(Br)cc2[O-])cc1F ZINC000477218757 502710859 /nfs/dbraw/zinc/71/08/59/502710859.db2.gz FXJJDUCHHKFBEP-UHFFFAOYSA-N -1 3 368.202 3.161 20 0 FGADHM CCCCc1nnc([N-]C(=O)c2ccc(C(=O)OC(C)(C)C)nc2)s1 ZINC000593003680 506330005 /nfs/dbraw/zinc/33/00/05/506330005.db2.gz 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COC(=O)c1ccc(CC[N-]S(=O)(=O)c2cc(C)c(Cl)s2)cc1 ZINC000473902184 502744507 /nfs/dbraw/zinc/74/45/07/502744507.db2.gz BYSZFDHENYCEJE-UHFFFAOYSA-N -1 3 373.883 3.018 20 0 FGADHM O=S(=O)([N-][C@H]1CCN2CCCC[C@@H]12)c1ccc(Cl)c(F)c1Cl ZINC000473907616 502745024 /nfs/dbraw/zinc/74/50/24/502745024.db2.gz BWWVCYIDVWZIMY-QWRGUYRKSA-N -1 3 367.273 3.038 20 0 FGADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)Nc1c(F)cc(Cl)cc1F ZINC000481103300 502755184 /nfs/dbraw/zinc/75/51/84/502755184.db2.gz GKPCXLWMCBWKIY-UHFFFAOYSA-N -1 3 355.654 3.077 20 0 FGADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)Nc1c(F)cc(Cl)cc1F ZINC000481103300 502755190 /nfs/dbraw/zinc/75/51/90/502755190.db2.gz GKPCXLWMCBWKIY-UHFFFAOYSA-N -1 3 355.654 3.077 20 0 FGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)Nc1c(F)cc(Cl)cc1F ZINC000481103300 502755195 /nfs/dbraw/zinc/75/51/95/502755195.db2.gz GKPCXLWMCBWKIY-UHFFFAOYSA-N -1 3 355.654 3.077 20 0 FGADHM CC[C@@H](OC1CCCC1)C(=O)N=c1nc(-c2ccccc2Cl)[n-]n1C ZINC000484896819 502768510 /nfs/dbraw/zinc/76/85/10/502768510.db2.gz VCJJTZRMHZDGFF-OAHLLOKOSA-N -1 3 362.861 3.234 20 0 FGADHM COc1ccc(NC(=O)Cc2ccc(Br)cc2[O-])c(C)n1 ZINC000477425832 502771466 /nfs/dbraw/zinc/77/14/66/502771466.db2.gz IEJUANUYLQDCKC-UHFFFAOYSA-N -1 3 351.200 3.048 20 0 FGADHM COC(=O)c1ccc(C(=O)Nc2cnn(-c3cc(C)ccc3C)c2C)[n-]1 ZINC000484916934 502775713 /nfs/dbraw/zinc/77/57/13/502775713.db2.gz LYUHILOPPINPTM-UHFFFAOYSA-N -1 3 352.394 3.165 20 0 FGADHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(OCCF)c2)cc1C ZINC000470450762 502778859 /nfs/dbraw/zinc/77/88/59/502778859.db2.gz DPJMFNHZVZIBMO-UHFFFAOYSA-N -1 3 353.415 3.461 20 0 FGADHM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2F)ccc1C ZINC000467087497 502784413 /nfs/dbraw/zinc/78/44/13/502784413.db2.gz YQXQEDHUVSCYQD-UHFFFAOYSA-N -1 3 357.790 3.375 20 0 FGADHM Cc1cccc(F)c1S(=O)(=O)[N-][C@H](C)[C@H](c1ccccc1)N(C)C ZINC000477516533 502795581 /nfs/dbraw/zinc/79/55/81/502795581.db2.gz RDIWOZHYPDXYLI-RHSMWYFYSA-N -1 3 350.459 3.104 20 0 FGADHM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)s2)CN1Cc1ccccc1 ZINC000467130296 502795878 /nfs/dbraw/zinc/79/58/78/502795878.db2.gz GGTHCVORHBAJOD-GXTWGEPZSA-N -1 3 370.927 3.343 20 0 FGADHM CC(C)Cn1cnc(S(=O)(=O)[N-][C@H]2CC[C@H](c3cccc(F)c3)C2)c1 ZINC000481265409 502801086 /nfs/dbraw/zinc/80/10/86/502801086.db2.gz VZYCDXNIYYKOID-RDJZCZTQSA-N -1 3 365.474 3.293 20 0 FGADHM CC[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1cc(OC)ccc1Br ZINC000474096282 502808381 /nfs/dbraw/zinc/80/83/81/502808381.db2.gz JKYPDWXCAFNQLX-VHSXEESVSA-N -1 3 350.278 3.171 20 0 FGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@H](C)c1cnn(C)c1C ZINC000470552950 502810928 /nfs/dbraw/zinc/81/09/28/502810928.db2.gz GSSULKALUXGMPD-SNVBAGLBSA-N -1 3 367.858 3.476 20 0 FGADHM CCc1nc(CC[N-]S(=O)(=O)c2cc(F)ccc2Cl)sc1C ZINC000488796871 502811585 /nfs/dbraw/zinc/81/15/85/502811585.db2.gz XOMCDRFXUBVTAM-UHFFFAOYSA-N -1 3 362.879 3.327 20 0 FGADHM COc1ccc(OC)c(C(=O)Nc2nnc(-c3cc4ccccc4o3)[n-]2)c1 ZINC000485096872 502815103 /nfs/dbraw/zinc/81/51/03/502815103.db2.gz QBBBJVZQPQVBIO-UHFFFAOYSA-N -1 3 364.361 3.487 20 0 FGADHM COc1ccc(OC)c(C(=O)Nc2nc(-c3cc4ccccc4o3)n[n-]2)c1 ZINC000485096872 502815105 /nfs/dbraw/zinc/81/51/05/502815105.db2.gz QBBBJVZQPQVBIO-UHFFFAOYSA-N -1 3 364.361 3.487 20 0 FGADHM COc1ccc(OC)c(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)c1 ZINC000485096872 502815107 /nfs/dbraw/zinc/81/51/07/502815107.db2.gz QBBBJVZQPQVBIO-UHFFFAOYSA-N -1 3 364.361 3.487 20 0 FGADHM COC(=O)c1c(C)nc(=O)[nH]c1SCc1ccc([O-])c2nc(C)ccc12 ZINC000509104795 502822729 /nfs/dbraw/zinc/82/27/29/502822729.db2.gz ZAGYSMYHSLMKNN-UHFFFAOYSA-N -1 3 371.418 3.132 20 0 FGADHM C[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)C1 ZINC000504953434 502829461 /nfs/dbraw/zinc/82/94/61/502829461.db2.gz KBXXCZPVSQUUMJ-CYBMUJFWSA-N -1 3 362.426 3.109 20 0 FGADHM COC(=O)C[C@H](NC(=O)Cc1ccc([O-])cc1Cl)C1CCCCC1 ZINC000509135383 502830015 /nfs/dbraw/zinc/83/00/15/502830015.db2.gz FRDRXGINNXPDOP-INIZCTEOSA-N -1 3 353.846 3.216 20 0 FGADHM CN(C)[C@H](C[N-]S(=O)(=O)c1cc(F)ccc1Cl)c1ccc(F)cc1 ZINC000488893968 502833246 /nfs/dbraw/zinc/83/32/46/502833246.db2.gz VKAQNEQTCPZHAC-OAHLLOKOSA-N -1 3 374.840 3.199 20 0 FGADHM CC[C@@H]1CCCC[C@@H]1N(C)C(=O)C(=O)[N-]c1scc(C)c1C(=O)OC ZINC000500702141 502842872 /nfs/dbraw/zinc/84/28/72/502842872.db2.gz ZDHSFXQCXQQAAU-OLZOCXBDSA-N -1 3 366.483 3.209 20 0 FGADHM CCC[C@H]1[C@@H](C)CCCN1C(=O)C(=O)[N-]c1scc(C)c1C(=O)OC ZINC000500716246 502846918 /nfs/dbraw/zinc/84/69/18/502846918.db2.gz UDSOQQHTTLIAFA-AAEUAGOBSA-N -1 3 366.483 3.209 20 0 FGADHM O=S(=O)([N-][C@@H]1[C@@H]2CCC[C@@H]21)c1c(Cl)cccc1Br ZINC000509240500 502856971 /nfs/dbraw/zinc/85/69/71/502856971.db2.gz MXJRMPWEPSSMSG-AKZRSSKFSA-N -1 3 350.665 3.179 20 0 FGADHM O=S(=O)([N-]CCCn1cnc2ccccc21)c1cc(F)ccc1Cl ZINC000488998756 502857158 /nfs/dbraw/zinc/85/71/58/502857158.db2.gz DUVLQZKLRDQSRO-UHFFFAOYSA-N -1 3 367.833 3.197 20 0 FGADHM COCc1ccccc1S(=O)(=O)[N-]c1ccc(Cl)c(CN(C)C)c1 ZINC000500795771 502865775 /nfs/dbraw/zinc/86/57/75/502865775.db2.gz OVNBOTDNJZDPAW-UHFFFAOYSA-N -1 3 368.886 3.349 20 0 FGADHM O=S(=O)([N-]Cc1ccsc1Br)c1cncc(Cl)c1 ZINC000509337946 502877790 /nfs/dbraw/zinc/87/77/90/502877790.db2.gz MTTLTFXDYQVUTK-UHFFFAOYSA-N -1 3 367.677 3.038 20 0 FGADHM [O-]c1ccc(F)c(CNC[C@H]2CN(Cc3ccccc3)CCCO2)c1F ZINC000513235740 502886409 /nfs/dbraw/zinc/88/64/09/502886409.db2.gz DVNBIQPFJMNYCR-INIZCTEOSA-N -1 3 362.420 3.051 20 0 FGADHM COC(=O)[C@@](C)(CNCc1c(F)ccc([O-])c1F)c1ccc(F)cc1 ZINC000513287884 502896282 /nfs/dbraw/zinc/89/62/82/502896282.db2.gz WJFBSSHFDWDZJC-SFHVURJKSA-N -1 3 353.340 3.030 20 0 FGADHM CC(=O)c1oc2cc(C)ccc2c1CC(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000509422993 502897719 /nfs/dbraw/zinc/89/77/19/502897719.db2.gz MSXTWQGACAUHPT-INIZCTEOSA-N -1 3 367.405 3.122 20 0 FGADHM CCc1c(C(=O)Nc2cccc([O-])c2F)nnn1Cc1ccc(F)cc1 ZINC000582642257 506341063 /nfs/dbraw/zinc/34/10/63/506341063.db2.gz FBFJXFZWSIPDRI-UHFFFAOYSA-N -1 3 358.348 3.125 20 0 FGADHM CC(C)Cc1ccc([C@@H](CNC(=O)NCc2ncccc2[O-])N(C)C)cc1 ZINC000513370346 502917663 /nfs/dbraw/zinc/91/76/63/502917663.db2.gz HPFMXFPQKIQZLZ-LJQANCHMSA-N -1 3 370.497 3.088 20 0 FGADHM C[C@@H]1[C@@H](C)CN1C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000509511587 502922318 /nfs/dbraw/zinc/92/23/18/502922318.db2.gz VOLVXTJYILDTMU-JGVFFNPUSA-N -1 3 369.646 3.424 20 0 FGADHM C[C@@H]1[C@@H](C)CN1C(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000509511587 502922319 /nfs/dbraw/zinc/92/23/19/502922319.db2.gz VOLVXTJYILDTMU-JGVFFNPUSA-N -1 3 369.646 3.424 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)c1cccc(F)c1F ZINC000501157734 502951389 /nfs/dbraw/zinc/95/13/89/502951389.db2.gz YQXJYWBGCLMJCY-ZETCQYMHSA-N -1 3 351.296 3.422 20 0 FGADHM CC(C)(CNC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)c1ccc(F)cc1Cl ZINC000501168107 502952720 /nfs/dbraw/zinc/95/27/20/502952720.db2.gz ZVTYOWMFAQDMEC-UHFFFAOYSA-N -1 3 374.799 3.070 20 0 FGADHM C/C=C/c1ccc(NC(=O)NCCCNC(=O)c2cccc([O-])c2)cc1 ZINC000497427677 502957172 /nfs/dbraw/zinc/95/71/72/502957172.db2.gz NXTACHKECDVCDN-GORDUTHDSA-N -1 3 353.422 3.367 20 0 FGADHM CCN(CC(=O)Nc1nnc(-c2ccc(C)o2)[n-]1)Cc1ccccc1Cl 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/nfs/dbraw/zinc/38/63/20/503386320.db2.gz YZJQQMKVJVWXJK-NSHDSACASA-N -1 3 374.441 3.264 20 0 FGADHM COc1ccccc1SC[C@@H](C)CNC(=O)c1cc(F)cc2[n-]nnc21 ZINC000503299637 503386326 /nfs/dbraw/zinc/38/63/26/503386326.db2.gz YZJQQMKVJVWXJK-NSHDSACASA-N -1 3 374.441 3.264 20 0 FGADHM COc1ccccc1SC[C@@H](C)CNC(=O)c1cc(F)cc2n[n-]nc21 ZINC000503299637 503386330 /nfs/dbraw/zinc/38/63/30/503386330.db2.gz YZJQQMKVJVWXJK-NSHDSACASA-N -1 3 374.441 3.264 20 0 FGADHM Cc1ccc(-c2nsc([N-]C(=O)c3nn4c(c3C)OCCC4)n2)s1 ZINC000515768859 503398749 /nfs/dbraw/zinc/39/87/49/503398749.db2.gz RZSSKGTVRNVBTL-UHFFFAOYSA-N -1 3 361.452 3.115 20 0 FGADHM O=C(Nc1ccc(F)cc1)N[C@@H]1CCN(Cc2c(F)ccc([O-])c2F)C1 ZINC000507941212 503401285 /nfs/dbraw/zinc/40/12/85/503401285.db2.gz WZGSMMZRLMKJEM-CYBMUJFWSA-N -1 3 365.355 3.206 20 0 FGADHM CCc1n[n-]c(=NC(=O)NC[C@H](c2ccccc2)N2CCC(C)CC2)s1 ZINC000511862669 503403041 /nfs/dbraw/zinc/40/30/41/503403041.db2.gz YVUAHZQZUDRNPB-MRXNPFEDSA-N -1 3 373.526 3.117 20 0 FGADHM O=C(NCc1ccc(OC2CCCC2)cc1)c1cc(F)cc2nn[n-]c21 ZINC000503460519 503414534 /nfs/dbraw/zinc/41/45/34/503414534.db2.gz JBHBBODGRAJAHI-UHFFFAOYSA-N -1 3 354.385 3.348 20 0 FGADHM O=C(NCc1ccc(OC2CCCC2)cc1)c1cc(F)cc2[n-]nnc21 ZINC000503460519 503414536 /nfs/dbraw/zinc/41/45/36/503414536.db2.gz JBHBBODGRAJAHI-UHFFFAOYSA-N -1 3 354.385 3.348 20 0 FGADHM O=C(NCc1ccc(OC2CCCC2)cc1)c1cc(F)cc2n[n-]nc21 ZINC000503460519 503414539 /nfs/dbraw/zinc/41/45/39/503414539.db2.gz JBHBBODGRAJAHI-UHFFFAOYSA-N -1 3 354.385 3.348 20 0 FGADHM CC(C)(C[N-]S(=O)(=O)c1cn2c(n1)CCCC2)c1ccccc1Cl ZINC000503478096 503417263 /nfs/dbraw/zinc/41/72/63/503417263.db2.gz SWYMBCKHHNFDKW-UHFFFAOYSA-N -1 3 367.902 3.129 20 0 FGADHM Cc1cccc(C)c1OCCC[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000511957012 503423337 /nfs/dbraw/zinc/42/33/37/503423337.db2.gz LWTAVFFKBSEXKK-UHFFFAOYSA-N -1 3 355.406 3.329 20 0 FGADHM COC(=O)c1ccc([N-]S(=O)(=O)c2cc(C)c(OC)c(C)c2)c(F)c1 ZINC000508085660 503427573 /nfs/dbraw/zinc/42/75/73/503427573.db2.gz AEUUKKDGDQEHOK-UHFFFAOYSA-N -1 3 367.398 3.039 20 0 FGADHM O=S(=O)([N-]c1cncc(Cl)c1Br)c1ccc(F)cc1 ZINC000508086948 503427910 /nfs/dbraw/zinc/42/79/10/503427910.db2.gz UBEOQKRRLXLZOA-UHFFFAOYSA-N -1 3 365.611 3.437 20 0 FGADHM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C(=O)OC)cc2F)c1 ZINC000508089059 503428544 /nfs/dbraw/zinc/42/85/44/503428544.db2.gz NCJMOLIWPYWCQH-UHFFFAOYSA-N -1 3 365.382 3.006 20 0 FGADHM Cc1nn(C)c(C)c1CCC(=O)N=c1cc(-c2cc(C)c(C)cc2C)[n-][nH]1 ZINC000515987909 503428938 /nfs/dbraw/zinc/42/89/38/503428938.db2.gz SWQMGBLBSSFQJI-UHFFFAOYSA-N -1 3 365.481 3.346 20 0 FGADHM CC(C)OCC[N-]S(=O)(=O)c1cc(Cl)ccc1OCCC1CC1 ZINC000493501925 503430430 /nfs/dbraw/zinc/43/04/30/503430430.db2.gz KSMXUVWASXJYNZ-UHFFFAOYSA-N -1 3 361.891 3.222 20 0 FGADHM CC(C)CN(CCc1ccccc1)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000499568817 503433608 /nfs/dbraw/zinc/43/36/08/503433608.db2.gz CWBAZDRUAYLVKV-UHFFFAOYSA-N -1 3 374.506 3.399 20 0 FGADHM O=S(=O)([N-]C1(C(F)F)CCCCC1)c1cnn(-c2ccccc2)c1 ZINC000508141101 503440213 /nfs/dbraw/zinc/44/02/13/503440213.db2.gz FLESMBWFLRLNMT-UHFFFAOYSA-N -1 3 355.410 3.119 20 0 FGADHM Cc1nn(CC(=O)[N-]c2nncn2-c2ccccc2)cc1-c1ccccc1 ZINC000512048045 503443459 /nfs/dbraw/zinc/44/34/59/503443459.db2.gz XSPQOBUKWLFLCT-UHFFFAOYSA-N -1 3 358.405 3.078 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)CCSCc3ccccn3)[n-]c21 ZINC000503595378 503443604 /nfs/dbraw/zinc/44/36/04/503443604.db2.gz FPXRMBHYYVKWPJ-UHFFFAOYSA-N -1 3 370.434 3.007 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)CCSCc3ccccn3)nc21 ZINC000503595378 503443607 /nfs/dbraw/zinc/44/36/07/503443607.db2.gz FPXRMBHYYVKWPJ-UHFFFAOYSA-N -1 3 370.434 3.007 20 0 FGADHM O=S(=O)([N-]C1CCSCC1)c1cccc(Br)c1Cl ZINC000516098674 503445777 /nfs/dbraw/zinc/44/57/77/503445777.db2.gz WIEYBEJBPGVRCH-UHFFFAOYSA-N -1 3 370.721 3.276 20 0 FGADHM CC[C@H](NC(=O)c1cnc2c(cnn2C)c1[O-])c1ccc(Cl)s1 ZINC000512078938 503452432 /nfs/dbraw/zinc/45/24/32/503452432.db2.gz NVDVTNRGWADEGQ-JTQLQIEISA-N -1 3 350.831 3.270 20 0 FGADHM O=S(=O)([N-][C@@H](c1ccc(Cl)cc1)c1ccccc1Cl)C1COC1 ZINC000493890225 503454172 /nfs/dbraw/zinc/45/41/72/503454172.db2.gz BQJVRGZPEJNFSI-INIZCTEOSA-N -1 3 372.273 3.401 20 0 FGADHM CCn1nc(C)c(CC(=O)Nc2ccc(Br)cc2[O-])c1C ZINC000582702901 506372790 /nfs/dbraw/zinc/37/27/90/506372790.db2.gz NEZLQFFUFVVEMC-UHFFFAOYSA-N -1 3 352.232 3.169 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)c1cc(Br)cc2[nH]cnc21 ZINC000503684659 503458110 /nfs/dbraw/zinc/45/81/10/503458110.db2.gz ZCNBRFIXLSYRFW-UHFFFAOYSA-N -1 3 364.174 3.100 20 0 FGADHM COc1cc(NC(=O)c2cc([O-])ccc2Cl)ncc1Br ZINC000493938909 503462245 /nfs/dbraw/zinc/46/22/45/503462245.db2.gz HBWYYDOJCQYTTM-UHFFFAOYSA-N -1 3 357.591 3.464 20 0 FGADHM COCC[C@H]([N-]S(=O)(=O)Cc1cc(Cl)ccc1F)c1ccco1 ZINC000503708765 503463350 /nfs/dbraw/zinc/46/33/50/503463350.db2.gz OUQAZJHUPOMBIB-AWEZNQCLSA-N -1 3 361.822 3.269 20 0 FGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@H](C)c1ccccc1SC ZINC000499717652 503465658 /nfs/dbraw/zinc/46/56/58/503465658.db2.gz HKPZSHZGYRZMRA-SNVBAGLBSA-N 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ZINC000494082125 503484750 /nfs/dbraw/zinc/48/47/50/503484750.db2.gz RPIDAMGOLLMCAZ-UHFFFAOYSA-N -1 3 367.258 3.158 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)COc3cccc(Cl)c3C)[n-]c21 ZINC000494115401 503489405 /nfs/dbraw/zinc/48/94/05/503489405.db2.gz IAIDSHWOXITQSD-UHFFFAOYSA-N -1 3 373.796 3.329 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)COc3cccc(Cl)c3C)nc21 ZINC000494115401 503489407 /nfs/dbraw/zinc/48/94/07/503489407.db2.gz IAIDSHWOXITQSD-UHFFFAOYSA-N -1 3 373.796 3.329 20 0 FGADHM CC(C)NC(=O)c1ccc([N-]S(=O)(=O)Cc2cccc(Cl)c2)cc1 ZINC000516384393 503504601 /nfs/dbraw/zinc/50/46/01/503504601.db2.gz KIGIILHNTHQEED-UHFFFAOYSA-N -1 3 366.870 3.420 20 0 FGADHM COc1ccc2c(c1)CCC[C@H]2CC(=O)N=c1cc(-c2ccncc2)[n-][nH]1 ZINC000512273387 503505163 /nfs/dbraw/zinc/50/51/63/503505163.db2.gz AHWYRKPYPIHBEQ-INIZCTEOSA-N -1 3 362.433 3.351 20 0 FGADHM CCSc1cc(C[N-]S(=O)(=O)c2cc(F)c(C)cc2F)ccn1 ZINC000494292238 503520947 /nfs/dbraw/zinc/52/09/47/503520947.db2.gz DHMDVKHAPWKVAL-UHFFFAOYSA-N -1 3 358.435 3.259 20 0 FGADHM Cc1nn2c(nc(C)cc2C)c1C(=O)N=c1cc(-c2ccccc2C)[n-][nH]1 ZINC000512336299 503522798 /nfs/dbraw/zinc/52/27/98/503522798.db2.gz JZYNJOGLHDUZGX-UHFFFAOYSA-N -1 3 360.421 3.027 20 0 FGADHM Cc1ccc(C(=O)NC2CCN(C(=O)c3ccc([O-])c(C)c3)CC2)s1 ZINC000499967895 503524222 /nfs/dbraw/zinc/52/42/22/503524222.db2.gz IUEGJDOCNFVWFW-UHFFFAOYSA-N -1 3 358.463 3.105 20 0 FGADHM CC(C)(C[N-]S(=O)(=O)c1cncc(F)c1)c1ccc(F)cc1Cl ZINC000500090747 503551183 /nfs/dbraw/zinc/55/11/83/503551183.db2.gz RFZDSQMVCWJKDQ-UHFFFAOYSA-N -1 3 360.813 3.269 20 0 FGADHM CCCc1noc(CCCC(=O)N=c2cc(-c3cc(C)cc(C)c3)[n-][nH]2)n1 ZINC000512544608 503580598 /nfs/dbraw/zinc/58/05/98/503580598.db2.gz IOAUYVFZRIJRKU-UHFFFAOYSA-N -1 3 367.453 3.412 20 0 FGADHM CC(C)N(Cc1cccc(F)c1)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000512573651 503587672 /nfs/dbraw/zinc/58/76/72/503587672.db2.gz SZYFOGVPUAESEC-UHFFFAOYSA-N -1 3 364.442 3.248 20 0 FGADHM CCOC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)c1cc([O-])ccc1Cl ZINC000516793587 503588638 /nfs/dbraw/zinc/58/86/38/503588638.db2.gz YRYYLMSWHLASRI-QGZVFWFLSA-N -1 3 361.825 3.292 20 0 FGADHM C[C@@H]1CCCC[C@H]1CC(=O)Nc1cc(N2CCCS2(=O)=O)ccc1[O-] ZINC000516842671 503597746 /nfs/dbraw/zinc/59/77/46/503597746.db2.gz QOEZGCMTQNZIKQ-KGLIPLIRSA-N -1 3 366.483 3.087 20 0 FGADHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)Nc1cccc2ccsc21 ZINC000504692448 503605692 /nfs/dbraw/zinc/60/56/92/503605692.db2.gz QKZDSDIOWXQHOV-UHFFFAOYSA-N -1 3 365.414 3.346 20 0 FGADHM C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2C(=O)Cc2ccc([O-])cc2Cl)C1 ZINC000500371595 503609829 /nfs/dbraw/zinc/60/98/29/503609829.db2.gz RYIMDFVKAJSWQG-XGWTYTTDSA-N -1 3 351.874 3.376 20 0 FGADHM COC(=O)c1nc[n-]c1NC(=O)C[C@@H](C)c1ccccc1C(F)(F)F ZINC000516935381 503623414 /nfs/dbraw/zinc/62/34/14/503623414.db2.gz VSXMDHKQZGATBP-SECBINFHSA-N -1 3 355.316 3.347 20 0 FGADHM COC(=O)c1[n-]cnc1NC(=O)C[C@@H](C)c1ccccc1C(F)(F)F ZINC000516935381 503623419 /nfs/dbraw/zinc/62/34/19/503623419.db2.gz VSXMDHKQZGATBP-SECBINFHSA-N -1 3 355.316 3.347 20 0 FGADHM C/C(=C/c1ccccc1)CN(C)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000494868511 503626699 /nfs/dbraw/zinc/62/66/99/503626699.db2.gz NKEWBYLLJLZSBL-SQFISAMPSA-N -1 3 358.463 3.234 20 0 FGADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2c(C)cccc2Cl)cc1OC ZINC000500474409 503632313 /nfs/dbraw/zinc/63/23/13/503632313.db2.gz HSVKNCHTJKMYAE-UHFFFAOYSA-N -1 3 369.826 3.244 20 0 FGADHM CCC[C@H](C(=O)N=c1cc2ccc(Br)cn2[n-]1)c1ccccn1 ZINC000509064101 503633798 /nfs/dbraw/zinc/63/37/98/503633798.db2.gz AYSUDEOKOGJWTA-AWEZNQCLSA-N -1 3 373.254 3.436 20 0 FGADHM CC(C)[C@H](c1ccc(F)cc1)N(C)C(=O)CNC(=O)c1ccc([O-])cc1 ZINC000516966216 503633898 /nfs/dbraw/zinc/63/38/98/503633898.db2.gz LDVDTMMBHRRFCF-LJQANCHMSA-N -1 3 358.413 3.117 20 0 FGADHM COC(=O)c1ccc([N-]S(=O)(=O)c2cccc(SC)c2)c(F)c1 ZINC000509075609 503635536 /nfs/dbraw/zinc/63/55/36/503635536.db2.gz RTFAZJIGGBUIGT-UHFFFAOYSA-N -1 3 355.412 3.135 20 0 FGADHM C[C@@H]1C[C@H](CC[N-]S(=O)(=O)c2ccccc2C(F)(F)F)CCO1 ZINC000543165686 503655113 /nfs/dbraw/zinc/65/51/13/503655113.db2.gz CWHHAGFZOJGDOS-VXGBXAGGSA-N -1 3 351.390 3.189 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]C2(C(F)(F)F)CCC2)c2cccnc12 ZINC000546178942 503657248 /nfs/dbraw/zinc/65/72/48/503657248.db2.gz XOEGXUXYELPBCY-UHFFFAOYSA-N -1 3 360.357 3.007 20 0 FGADHM CS(=O)(=O)[N-]c1cncc(C(=O)NC2CCC3(CCCCC3)CC2)c1 ZINC000527053748 503659695 /nfs/dbraw/zinc/65/96/95/503659695.db2.gz XLDKBDCHAYZNQA-UHFFFAOYSA-N -1 3 365.499 3.076 20 0 FGADHM CC[C@]1(C[N-]S(=O)(=O)c2ccc(F)cc2F)OCCc2ccccc21 ZINC000517203626 503671586 /nfs/dbraw/zinc/67/15/86/503671586.db2.gz MAGPRXUZEHIIHA-GOSISDBHSA-N -1 3 367.417 3.121 20 0 FGADHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1C[C@H](C)CC(C)(C)C1 ZINC000543214898 503683826 /nfs/dbraw/zinc/68/38/26/503683826.db2.gz NZQAAUYDHGBCQX-LLVKDONJSA-N -1 3 366.483 3.066 20 0 FGADHM C[C@@H]1Cc2ccc(Br)cc2CN1C(=O)c1cccc2[n-]nnc21 ZINC000527112594 503685219 /nfs/dbraw/zinc/68/52/19/503685219.db2.gz KWJAOBCXUKOIBW-SNVBAGLBSA-N -1 3 371.238 3.307 20 0 FGADHM C[C@@H]1Cc2ccc(Br)cc2CN1C(=O)c1cccc2nn[n-]c21 ZINC000527112594 503685223 /nfs/dbraw/zinc/68/52/23/503685223.db2.gz KWJAOBCXUKOIBW-SNVBAGLBSA-N -1 3 371.238 3.307 20 0 FGADHM C[C@@H]1Cc2ccc(Br)cc2CN1C(=O)c1cccc2n[n-]nc21 ZINC000527112594 503685225 /nfs/dbraw/zinc/68/52/25/503685225.db2.gz KWJAOBCXUKOIBW-SNVBAGLBSA-N -1 3 371.238 3.307 20 0 FGADHM CC(=Cc1nc(-c2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)no1)c1ccccc1 ZINC000546242403 503685325 /nfs/dbraw/zinc/68/53/25/503685325.db2.gz POBNTBKIYQXPNB-BIGNBACZSA-N -1 3 374.400 3.352 20 0 FGADHM COc1ccc(CN2CC[C@@H](C3CCOCC3)C2)c(Br)c1[O-] ZINC000546256348 503688728 /nfs/dbraw/zinc/68/87/28/503688728.db2.gz YBNALHNJWKBHKT-CYBMUJFWSA-N -1 3 370.287 3.412 20 0 FGADHM CCOc1ccc(CCC(=O)Nc2nc3cccc(C(=O)OC)c3[n-]2)cc1 ZINC000533004081 503693544 /nfs/dbraw/zinc/69/35/44/503693544.db2.gz LGGSRQCGVPGWIP-UHFFFAOYSA-N -1 3 367.405 3.320 20 0 FGADHM CCOc1ccc(CCC(=O)Nc2nc3c(cccc3C(=O)OC)[n-]2)cc1 ZINC000533004081 503693551 /nfs/dbraw/zinc/69/35/51/503693551.db2.gz 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CC(C)Oc1cccc([C@@H](C)NC(=O)c2c[n-]c3ccncc3c2=O)c1 ZINC000553329788 504885620 /nfs/dbraw/zinc/88/56/20/504885620.db2.gz OONYDNOIRHJVTP-CYBMUJFWSA-N -1 3 351.406 3.201 20 0 FGADHM O=C(Nc1cc(Cl)ccc1N1CCOCC1)c1cc(C(F)(F)F)n[n-]1 ZINC000549770253 504892900 /nfs/dbraw/zinc/89/29/00/504892900.db2.gz TWGGQCOXLQNCJY-UHFFFAOYSA-N -1 3 374.750 3.171 20 0 FGADHM O=C(Nc1cc(Cl)ccc1N1CCOCC1)c1cc(C(F)(F)F)[n-]n1 ZINC000549770253 504892901 /nfs/dbraw/zinc/89/29/01/504892901.db2.gz TWGGQCOXLQNCJY-UHFFFAOYSA-N -1 3 374.750 3.171 20 0 FGADHM O=S(=O)([N-][C@@H](CO)c1c(Cl)cccc1Cl)[C@H]1C[C@@H]2CC[C@H]1C2 ZINC000565528718 504914204 /nfs/dbraw/zinc/91/42/04/504914204.db2.gz CEXGKVFLPXREDC-OAACRXHESA-N -1 3 364.294 3.135 20 0 FGADHM COc1cccc([C@H]2C[C@H]([N-]S(=O)(=O)c3ccc(F)cc3F)C2)c1 ZINC000562730531 504925804 /nfs/dbraw/zinc/92/58/04/504925804.db2.gz MEPMFMVZXVLNPF-MQMHXKEQSA-N -1 3 353.390 3.198 20 0 FGADHM O=S(=O)([N-][C@H]1CC[C@H](F)C1)c1ccc(Br)cc1Cl ZINC000553548112 504945256 /nfs/dbraw/zinc/94/52/56/504945256.db2.gz VXQTZVNGOLDYJY-IUCAKERBSA-N -1 3 356.644 3.271 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-][C@H](C)c2nccn2-c2ccccc2)c(F)c1 ZINC000553554610 504946962 /nfs/dbraw/zinc/94/69/62/504946962.db2.gz OLXQSEMYZPQFML-CQSZACIVSA-N -1 3 359.426 3.359 20 0 FGADHM Cc1cc(=O)[n-]c(C=Cc2cn(C)nc2-c2ccc3c(c2)OCCCO3)n1 ZINC000550011812 504951520 /nfs/dbraw/zinc/95/15/20/504951520.db2.gz KOIGWEUTPVEQQI-ALCCZGGFSA-N -1 3 364.405 3.223 20 0 FGADHM Cc1ccc(Br)c(C)c1C(=O)N=c1cc(OC(F)F)n(C)[n-]1 ZINC000556745556 504960982 /nfs/dbraw/zinc/96/09/82/504960982.db2.gz ALIMSJKKTXNMLK-UHFFFAOYSA-N -1 3 374.185 3.075 20 0 FGADHM COc1cc(Br)c(CNC2(C(=O)[O-])CCCCC2)cc1OC ZINC000559980445 504962578 /nfs/dbraw/zinc/96/25/78/504962578.db2.gz OFVBCMISIAZQMC-UHFFFAOYSA-N -1 3 372.259 3.343 20 0 FGADHM Cc1cccc(S(=O)(=O)[N-]C[C@@H](c2ccco2)N2CCCCC2)c1F ZINC000562885144 504976242 /nfs/dbraw/zinc/97/62/42/504976242.db2.gz RXJSWJXEIIJVRA-HNNXBMFYSA-N -1 3 366.458 3.233 20 0 FGADHM [O-]c1coc2cc(OC[C@@H](O)CO[C@@H]3CCCc4ccccc43)ccc12 ZINC000550174775 504985058 /nfs/dbraw/zinc/98/50/58/504985058.db2.gz HJTDESNUBWUGKG-FOIQADDNSA-N -1 3 354.402 3.096 20 0 FGADHM CN(C)[C@@H](C[N-]S(=O)(=O)c1cc(F)cc(Cl)c1)c1cccc(F)c1 ZINC000550198195 504990130 /nfs/dbraw/zinc/99/01/30/504990130.db2.gz UYAYTOXQONGQNW-INIZCTEOSA-N -1 3 374.840 3.199 20 0 FGADHM Cn1ccnc1[C@H]1N(C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)CC1(C)C ZINC000565816416 504996146 /nfs/dbraw/zinc/99/61/46/504996146.db2.gz JYHAXDNEIVXCIE-MRXNPFEDSA-N -1 3 355.438 3.063 20 0 FGADHM CCCCN(C(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1)C1CCCCC1 ZINC000553749588 504998651 /nfs/dbraw/zinc/99/86/51/504998651.db2.gz MRCQJOAFPKOZTO-AWEZNQCLSA-N -1 3 372.556 3.376 20 0 FGADHM COc1cccc(-c2nc(CN[C@@H](C)[C@@H](C)C(=O)[O-])cs2)c1OC ZINC000565837923 505002525 /nfs/dbraw/zinc/00/25/25/505002525.db2.gz IWYGDBPTWDXVIP-MNOVXSKESA-N -1 3 350.440 3.026 20 0 FGADHM C[C@@H]1CCCC[C@H]1c1nc(-c2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)no1 ZINC000562969432 505003863 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/nfs/dbraw/zinc/28/79/42/505287942.db2.gz HEHWBLSIOIDFQC-AWEZNQCLSA-N -1 3 365.437 3.203 20 0 FGADHM Cc1ccc2[n-]cc(C(=O)N3CCO[C@H](C4CCCCC4)C3)c(=O)c2c1 ZINC000561243598 505291293 /nfs/dbraw/zinc/29/12/93/505291293.db2.gz CUYUYEPGNZWQLK-IBGZPJMESA-N -1 3 354.450 3.258 20 0 FGADHM CCCCNc1ccccc1C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000551761808 505300343 /nfs/dbraw/zinc/30/03/43/505300343.db2.gz NNBKZENTYFGCJI-UHFFFAOYSA-N -1 3 350.426 3.255 20 0 FGADHM CCCCNc1ccccc1C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000551761808 505300347 /nfs/dbraw/zinc/30/03/47/505300347.db2.gz NNBKZENTYFGCJI-UHFFFAOYSA-N -1 3 350.426 3.255 20 0 FGADHM CCc1cc(C(=O)Nc2ccc3nc(N4CCOCC4)oc3c2)ccc1[O-] ZINC000561302353 505309341 /nfs/dbraw/zinc/30/93/41/505309341.db2.gz XKKAMEINLJMPII-UHFFFAOYSA-N -1 3 367.405 3.185 20 0 FGADHM O=C([O-])c1cnc2ccccc2c1N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000564215408 505355296 /nfs/dbraw/zinc/35/52/96/505355296.db2.gz MHMVSENJOGBOTM-BBRMVZONSA-N -1 3 354.431 3.207 20 0 FGADHM O=S(=O)([N-]Cc1ccsc1)c1c(F)cccc1OC(F)(F)F ZINC000561484787 505358233 /nfs/dbraw/zinc/35/82/33/505358233.db2.gz WHRKVGAGZAFJQR-UHFFFAOYSA-N -1 3 355.334 3.264 20 0 FGADHM C[C@H]1Oc2ccccc2[C@H]1[N-]S(=O)(=O)c1ccccc1OC(F)(F)F ZINC000564246074 505362019 /nfs/dbraw/zinc/36/20/19/505362019.db2.gz DQZPWVIACUVSDT-BMIGLBTASA-N -1 3 373.352 3.386 20 0 FGADHM Cc1c(C(=O)[O-])sc2nc(C)nc(N3CCN(C4CCCC4)CC3)c12 ZINC000567113757 505366686 /nfs/dbraw/zinc/36/66/86/505366686.db2.gz PHUZYJIACXRFGO-UHFFFAOYSA-N -1 3 360.483 3.071 20 0 FGADHM C[C@@H]1Oc2cc(F)ccc2[C@@H]1[N-]S(=O)(=O)c1ccccc1-c1ccno1 ZINC000561558267 505377320 /nfs/dbraw/zinc/37/73/20/505377320.db2.gz MDRVBRJGIHWEQM-BBATYDOGSA-N -1 3 374.393 3.281 20 0 FGADHM Cc1cccc(F)c1S(=O)(=O)[N-][C@H](C)c1nccn1-c1ccccc1 ZINC000561564390 505378826 /nfs/dbraw/zinc/37/88/26/505378826.db2.gz PHLYCNHKXHIWJJ-CQSZACIVSA-N -1 3 359.426 3.359 20 0 FGADHM CN(C)c1nc2cc(NC(=O)CCCc3ccc([O-])c(F)c3)ccc2[nH]1 ZINC000555317735 505406580 /nfs/dbraw/zinc/40/65/80/505406580.db2.gz BJAQABCWPJDHPN-UHFFFAOYSA-N -1 3 356.401 3.435 20 0 FGADHM CCOC(=O)c1ccc(NC(=O)CCc2cccc(OC)c2F)c([O-])c1 ZINC000552130729 505410011 /nfs/dbraw/zinc/41/00/11/505410011.db2.gz AMIJYRNYEFYKJS-UHFFFAOYSA-N -1 3 361.369 3.288 20 0 FGADHM CCc1cccc(C(=O)Nc2cccc(NC(=O)CN(CC)CC)c2)c1[O-] ZINC000567304537 505422853 /nfs/dbraw/zinc/42/28/53/505422853.db2.gz BLCFRIUZEZIFQS-UHFFFAOYSA-N -1 3 369.465 3.487 20 0 FGADHM CCOC(=O)c1ccc(C(=O)Nc2n[n-]c(-c3ccccc3F)n2)cc1 ZINC000564457144 505424672 /nfs/dbraw/zinc/42/46/72/505424672.db2.gz QFTUBYWTGCWBSM-UHFFFAOYSA-N -1 3 354.341 3.040 20 0 FGADHM CC(C)[C@@H](NC(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1)c1ncon1 ZINC000552191148 505424682 /nfs/dbraw/zinc/42/46/82/505424682.db2.gz VJFTWJUYWOMUFJ-QGZVFWFLSA-N -1 3 365.389 3.133 20 0 FGADHM O=S(=O)([N-]C[C@H](CO)C1CCCCC1)c1ccccc1C(F)(F)F ZINC000555413994 505427152 /nfs/dbraw/zinc/42/71/52/505427152.db2.gz WJZNLUVHWSBACO-CYBMUJFWSA-N -1 3 365.417 3.173 20 0 FGADHM CC(=O)c1cccc(NC(=O)c2nnn(-c3cccc(Cl)c3)c2C)c1[O-] ZINC000552286972 505451506 /nfs/dbraw/zinc/45/15/06/505451506.db2.gz BHSAWYUVVQXMBH-UHFFFAOYSA-N -1 3 370.796 3.390 20 0 FGADHM CC(=O)c1cccc(NC(=O)[C@H]2CCCN2Cc2ccc(F)cc2)c1[O-] ZINC000552287162 505451612 /nfs/dbraw/zinc/45/16/12/505451612.db2.gz KBZOCRDBXFJKDM-GOSISDBHSA-N -1 3 356.397 3.337 20 0 FGADHM O=C(Nc1ccc(OCC(F)(F)F)nc1)c1cc(C(F)(F)F)n[n-]1 ZINC000555546043 505452282 /nfs/dbraw/zinc/45/22/82/505452282.db2.gz NCMJLHMQOYZKHE-UHFFFAOYSA-N -1 3 354.210 3.017 20 0 FGADHM O=C(Nc1ccc(OCC(F)(F)F)nc1)c1cc(C(F)(F)F)[n-]n1 ZINC000555546043 505452284 /nfs/dbraw/zinc/45/22/84/505452284.db2.gz NCMJLHMQOYZKHE-UHFFFAOYSA-N -1 3 354.210 3.017 20 0 FGADHM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2cc(OC)ccc2F)c1 ZINC000567409430 505454292 /nfs/dbraw/zinc/45/42/92/505454292.db2.gz BOWNEHOQMFITEN-UHFFFAOYSA-N -1 3 359.806 3.435 20 0 FGADHM CCOc1nc2ccc(C(=O)Nc3ccc4c(c3)NC(=O)CC4)cc2[n-]1 ZINC000555556470 505456613 /nfs/dbraw/zinc/45/66/13/505456613.db2.gz 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ZINC000552561759 505513885 /nfs/dbraw/zinc/51/38/85/505513885.db2.gz BBQRVXFMIBBHGN-QGZVFWFLSA-N -1 3 367.380 3.048 20 0 FGADHM COc1cccc(C(=O)CCCC(=O)Nc2nnc(-c3ccco3)[n-]2)c1 ZINC000555820273 505521498 /nfs/dbraw/zinc/52/14/98/505521498.db2.gz NNSPTFNBUPXXRM-UHFFFAOYSA-N -1 3 354.366 3.065 20 0 FGADHM COc1cccc(C(=O)CCCC(=O)Nc2nc(-c3ccco3)n[n-]2)c1 ZINC000555820273 505521501 /nfs/dbraw/zinc/52/15/01/505521501.db2.gz NNSPTFNBUPXXRM-UHFFFAOYSA-N -1 3 354.366 3.065 20 0 FGADHM COc1cccc(C(=O)CCCC(=O)Nc2n[n-]c(-c3ccco3)n2)c1 ZINC000555820273 505521503 /nfs/dbraw/zinc/52/15/03/505521503.db2.gz NNSPTFNBUPXXRM-UHFFFAOYSA-N -1 3 354.366 3.065 20 0 FGADHM Cn1cnc([N-]C(=O)c2csc(-c3cccc(C(F)(F)F)c3)n2)n1 ZINC000552676688 505532468 /nfs/dbraw/zinc/53/24/68/505532468.db2.gz WLPKWUIQPGOAFU-UHFFFAOYSA-N -1 3 353.329 3.210 20 0 FGADHM CCSCc1cccc([N-]S(=O)(=O)CC2(C(=O)OC)CCCC2)c1 ZINC000562229910 505545495 /nfs/dbraw/zinc/54/54/95/505545495.db2.gz FLJFYPSFAQDGFX-UHFFFAOYSA-N -1 3 371.524 3.415 20 0 FGADHM COC(=O)c1[n-]c(=NC[C@@H](c2ccc(SC)cc2)N(C)C)sc1C ZINC000559001651 505549091 /nfs/dbraw/zinc/54/90/91/505549091.db2.gz OSMRCFVTEIJPHY-AWEZNQCLSA-N -1 3 365.524 3.097 20 0 FGADHM CC(C)n1ncc2cc(CN3CCc4ccccc4[C@H]3C(=O)[O-])cnc21 ZINC000567742542 505554432 /nfs/dbraw/zinc/55/44/32/505554432.db2.gz JZVOCTKXUZRNFD-SFHVURJKSA-N -1 3 350.422 3.196 20 0 FGADHM CC[C@H](c1nnc([N-]C(=O)c2csc(CN)n2)s1)c1ccccc1 ZINC000564921987 505558769 /nfs/dbraw/zinc/55/87/69/505558769.db2.gz KNXSYRORQYFMCF-NSHDSACASA-N -1 3 359.480 3.248 20 0 FGADHM CC(C)(C)OC(=O)c1cccc(-n2c([O-])c(CC(F)(F)F)[nH]c2=O)c1 ZINC000567884806 505569908 /nfs/dbraw/zinc/56/99/08/505569908.db2.gz NBIGQHRTILBRKV-NSHDSACASA-N -1 3 358.316 3.019 20 0 FGADHM Cc1cnc([C@@H]([N-]S(=O)(=O)c2c(C)nn(C(C)C)c2C)C2CC2)s1 ZINC000608033686 506386198 /nfs/dbraw/zinc/38/61/98/506386198.db2.gz XCFSWCRSWSTSJG-AWEZNQCLSA-N -1 3 368.528 3.275 20 0 FGADHM CC1(C)[C@H](O)C[C@@H]1NCc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[n-]1 ZINC000582734245 506389727 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CCOC(=O)c1ccc(CNCc2cc([O-])ccc2Br)o1 ZINC000589197785 506480194 /nfs/dbraw/zinc/48/01/94/506480194.db2.gz QNORCYNTIKYPQY-UHFFFAOYSA-N -1 3 354.200 3.214 20 0 FGADHM CCC[C@@H]1CCc2nc([N-]C(=O)c3c(OC)ncnc3OC)sc2C1 ZINC000599543196 506491863 /nfs/dbraw/zinc/49/18/63/506491863.db2.gz YPVIFSGTLDVAMS-SNVBAGLBSA-N -1 3 362.455 3.108 20 0 FGADHM C[C@@]1(c2cccc(C(=O)Nc3ccc(C4CCC4)cc3)c2)NC(=O)[N-]C1=O ZINC000582941080 506500443 /nfs/dbraw/zinc/50/04/43/506500443.db2.gz GUXGLXNNFFYXOR-NRFANRHFSA-N -1 3 363.417 3.261 20 0 FGADHM O=C(Cc1ccn(-c2ccc(F)cc2)n1)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000608353553 506522459 /nfs/dbraw/zinc/52/24/59/506522459.db2.gz STYBLMPJDIYDAE-UHFFFAOYSA-N -1 3 361.380 3.005 20 0 FGADHM Cc1cc([N-]C(=O)[C@@H](C)Nc2ccc(Oc3ccc(C)nn3)cc2)on1 ZINC000608375396 506532879 /nfs/dbraw/zinc/53/28/79/506532879.db2.gz MODBFVCGTMOOIY-CYBMUJFWSA-N -1 3 353.382 3.313 20 0 FGADHM O=c1cc(CS(=O)(=O)[C@H]2CCc3c2cccc3Cl)nc(C2CC2)[n-]1 ZINC000583071592 506574718 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COc1ccc2c(c1)C[C@H](C(C)C)CN2C(=O)c1cccc2n[n-]nc21 ZINC000584774125 507498068 /nfs/dbraw/zinc/49/80/68/507498068.db2.gz AAUCEEJAXHNBLB-AWEZNQCLSA-N -1 3 350.422 3.442 20 0 FGADHM O=C(CCCn1cccc1)Nc1cc(I)ccc1[O-] ZINC000611156497 507538000 /nfs/dbraw/zinc/53/80/00/507538000.db2.gz JHMIJAIROYFIRS-UHFFFAOYSA-N -1 3 370.190 3.217 20 0 FGADHM CCOC(=O)Cc1cnc(NC(=O)c2cc([O-])cc(C(F)(F)F)c2)s1 ZINC000598739594 507575053 /nfs/dbraw/zinc/57/50/53/507575053.db2.gz GXHJANBCAMJNNX-UHFFFAOYSA-N -1 3 374.340 3.225 20 0 FGADHM COC(=O)c1c(C2CC2)csc1[N-]C(=O)C(=O)Nc1csc(C)c1 ZINC000602069989 507580409 /nfs/dbraw/zinc/58/04/09/507580409.db2.gz GRTPAZMKIYXNKK-UHFFFAOYSA-N -1 3 364.448 3.359 20 0 FGADHM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C3CC3)cc2)ccc1OC ZINC000611305048 507615231 /nfs/dbraw/zinc/61/52/31/507615231.db2.gz BHUGBDQHICNXSG-UHFFFAOYSA-N -1 3 361.419 3.160 20 0 FGADHM O=C(CSCc1ccc(F)cc1)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000602196518 507625749 /nfs/dbraw/zinc/62/57/49/507625749.db2.gz WWXHSAMTOCWTIJ-UHFFFAOYSA-N -1 3 361.442 3.138 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]CCCCC(=O)OC(C)(C)C)c(F)cc1F ZINC000611343122 507630425 /nfs/dbraw/zinc/63/04/25/507630425.db2.gz USVKZNUKITZAAR-UHFFFAOYSA-N -1 3 363.426 3.064 20 0 FGADHM O=C(NC1CC1)c1cccc(S(=O)(=O)[N-]c2cc(Cl)ccc2F)c1 ZINC000614761225 507645314 /nfs/dbraw/zinc/64/53/14/507645314.db2.gz GSHPZGZAVALYOV-UHFFFAOYSA-N -1 3 368.817 3.172 20 0 FGADHM C[C@H](CNC(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)C1CC1 ZINC000607221309 507657429 /nfs/dbraw/zinc/65/74/29/507657429.db2.gz YBTURZYSMKOBFS-LLVKDONJSA-N -1 3 371.478 3.070 20 0 FGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(NC(=O)NCC2CCCC2)ccc1F ZINC000607221419 507657799 /nfs/dbraw/zinc/65/77/99/507657799.db2.gz XVDVNRVJMRATQC-UHFFFAOYSA-N -1 3 371.478 3.214 20 0 FGADHM Cc1ccc(C(=O)N[C@@H](C)[C@H](C)C(=O)Nc2ncccc2[O-])c(C(C)C)n1 ZINC000614816707 507663461 /nfs/dbraw/zinc/66/34/61/507663461.db2.gz JDTOVYKMQBOTCH-KBPBESRZSA-N -1 3 370.453 3.007 20 0 FGADHM Cc1ccc(C(=O)N[C@H](C)[C@@H](C)C(=O)Nc2ncccc2[O-])c(C(C)C)n1 ZINC000614816710 507664264 /nfs/dbraw/zinc/66/42/64/507664264.db2.gz JDTOVYKMQBOTCH-ZIAGYGMSSA-N -1 3 370.453 3.007 20 0 FGADHM C[C@H](CSCCNCc1cn(C)nc1-c1cc2ccccc2o1)C(=O)[O-] ZINC000592462257 507665993 /nfs/dbraw/zinc/66/59/93/507665993.db2.gz QNKKLOHBZXRBDZ-CYBMUJFWSA-N -1 3 373.478 3.377 20 0 FGADHM CC(=O)c1ccc(C(=O)N(CCN2CCCCCC2)C2CCC2)cc1[O-] ZINC000614869927 507678579 /nfs/dbraw/zinc/67/85/79/507678579.db2.gz VZBPDHRTTBWCAJ-UHFFFAOYSA-N -1 3 358.482 3.466 20 0 FGADHM CSc1ccc([O-])c(C(=O)N2CCCN3c4ccccc4C[C@H]3C2)c1 ZINC000614985374 507715171 /nfs/dbraw/zinc/71/51/71/507715171.db2.gz SBYMDWMZJQSAFP-HNNXBMFYSA-N -1 3 354.475 3.391 20 0 FGADHM O=C(N[C@H]1CCN(CC2CC2)C1)c1cc(Br)cc(Cl)c1[O-] ZINC000607435624 507733318 /nfs/dbraw/zinc/73/33/18/507733318.db2.gz IUQNFJIVFSLXMB-NSHDSACASA-N -1 3 373.678 3.022 20 0 FGADHM CCOC(=O)c1sc2[n-]c([C@H](C)N3CC4CC3(C)C4)nc(=O)c2c1C ZINC000595915870 507742808 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CCc1[n-][nH]c(=NC(=O)c2c[nH]nc2C2CC2)c1-c1ccc2c(c1)OCO2 ZINC000476910414 515244914 /nfs/dbraw/zinc/24/49/14/515244914.db2.gz FRLQOEZWRBFOMM-UHFFFAOYSA-N -1 3 365.393 3.221 20 0 FGADHM Cc1nc(-c2ccccn2)sc1C(=O)N=c1cc(OC(F)F)n(C)[n-]1 ZINC000490936445 515338182 /nfs/dbraw/zinc/33/81/82/515338182.db2.gz AOPOWERZWYKSGR-UHFFFAOYSA-N -1 3 365.365 3.101 20 0 FGADHM COc1ccc(C2(C(=O)N=c3cc(OC(F)F)n(C)[n-]3)CCC2)cc1 ZINC000490955953 515341296 /nfs/dbraw/zinc/34/12/96/515341296.db2.gz QSJOSOSVKXERAU-UHFFFAOYSA-N -1 3 351.353 3.091 20 0 FGADHM Cn1[n-]c(=NC(=O)c2cccc(OC(F)(F)F)c2)cc1OC(F)F ZINC000490974873 515347958 /nfs/dbraw/zinc/34/79/58/515347958.db2.gz PIWATMMQMNKZKI-UHFFFAOYSA-N -1 3 351.231 3.172 20 0 FGADHM Cc1ccc(-c2nc(C(=O)N=c3cc(OC(F)F)n(C)[n-]3)cs2)o1 ZINC000490979382 515348700 /nfs/dbraw/zinc/34/87/00/515348700.db2.gz XRZKQIOUZLURFY-UHFFFAOYSA-N -1 3 354.338 3.299 20 0 FGADHM COc1ccc2c(c1)CCC[C@@H]2CC(=O)N=c1cc(OC(F)F)n(C)[n-]1 ZINC000491079875 515374327 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Cc1cc(C)cc(-c2cc(=NC(=O)CNC(=O)c3ccc(F)cc3)[nH][n-]2)c1 ZINC000512554649 516304429 /nfs/dbraw/zinc/30/44/29/516304429.db2.gz IGJFOEIYSRFDAH-UHFFFAOYSA-N -1 3 366.396 3.201 20 0 FGADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)c2ccnc(N(C)C)c2)[nH][n-]1 ZINC000512848629 516385506 /nfs/dbraw/zinc/38/55/06/516385506.db2.gz HQGCBVOGGFQKQV-UHFFFAOYSA-N -1 3 371.828 3.452 20 0 FGADHM Cc1cc(C)cc(-c2cc(=NC(=O)[C@H](C)NC(=O)C3CCCC3)[nH][n-]2)c1 ZINC000523944731 516616063 /nfs/dbraw/zinc/61/60/63/516616063.db2.gz MDAOAEYSHDSXIV-AWEZNQCLSA-N -1 3 354.454 3.327 20 0 FGADHM CC(=O)N[C@H](CC(=O)N=c1cc(-c2ccccc2)[n-][nH]1)c1cccs1 ZINC000519998242 517257115 /nfs/dbraw/zinc/25/71/15/517257115.db2.gz PHWCIRSIFJPYDD-OAHLLOKOSA-N -1 3 354.435 3.344 20 0 FGADHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)c1ccc(Br)c(F)c1 ZINC000525966885 517261172 /nfs/dbraw/zinc/26/11/72/517261172.db2.gz BMJQGJZCZQYSCV-GFCCVEGCSA-N -1 3 354.179 3.415 20 0 FGADHM COc1ccc(C(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)cc1Br ZINC000525966737 517261330 /nfs/dbraw/zinc/26/13/30/517261330.db2.gz SQIHGRNFUHBFIV-CYBMUJFWSA-N -1 3 366.215 3.285 20 0 FGADHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)[C@@H]1CCCCN1Cc1ccc(F)cc1 ZINC000525966618 517261699 /nfs/dbraw/zinc/26/16/99/517261699.db2.gz KQWSYHMAONUXSY-ZWKOTPCHSA-N -1 3 372.444 3.394 20 0 FGADHM CCSc1n[n-]c(=NC(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)s1 ZINC000515320774 517296290 /nfs/dbraw/zinc/29/62/90/517296290.db2.gz WRRVUWAYFMJBAF-DGCLKSJQSA-N -1 3 365.528 3.463 20 0 FGADHM C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)N=c1ccc(C2CC2)n[n-]1 ZINC000533307955 517399498 /nfs/dbraw/zinc/39/94/98/517399498.db2.gz LYKROPOKRGOWEC-CRAIPNDOSA-N -1 3 365.481 3.386 20 0 FGADHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1cc(N2CCCC2=O)ccc1Cl ZINC000526960125 517411262 /nfs/dbraw/zinc/41/12/62/517411262.db2.gz QBAKCCWJQATWEM-HNNXBMFYSA-N -1 3 374.828 3.294 20 0 FGADHM COc1ccc(Br)cc1C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000527209038 517561925 /nfs/dbraw/zinc/56/19/25/517561925.db2.gz UMCFPUPAVXMALN-CYBMUJFWSA-N -1 3 366.215 3.285 20 0 FGADHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)c1ccnc(OCc2ccccc2)c1 ZINC000527500830 517712331 /nfs/dbraw/zinc/71/23/31/517712331.db2.gz LEJNQHPZFWOHBS-QGZVFWFLSA-N -1 3 364.405 3.488 20 0 FGADHM Cc1ccc(Cc2n[n-]c(=NC(=O)NCCN3CCCC[C@@H]3C)s2)cc1 ZINC000521746394 517843722 /nfs/dbraw/zinc/84/37/22/517843722.db2.gz HJVOZNHTSAKYTL-HNNXBMFYSA-N -1 3 373.526 3.433 20 0 FGADHM CCCN(CC)Cc1ccc(C(=O)N=c2[n-]n(C)cc2C(=O)OCC)cc1 ZINC000543127945 517924145 /nfs/dbraw/zinc/92/41/45/517924145.db2.gz BTCORGIIBDNICM-UHFFFAOYSA-N -1 3 372.469 3.081 20 0 FGADHM Cc1cc(C)n(-c2ccc(CC(=O)N=c3cc(-c4cccnc4)[n-][nH]3)cc2)n1 ZINC000535120775 518155303 /nfs/dbraw/zinc/15/53/03/518155303.db2.gz MQJDERULZGMRMQ-UHFFFAOYSA-N -1 3 372.432 3.455 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)c2c[nH]c(C(=O)N3CCCC3)c2)c1-c1ccccc1 ZINC000522813594 518166469 /nfs/dbraw/zinc/16/64/69/518166469.db2.gz QUOJDRKDNZRRNU-UHFFFAOYSA-N -1 3 363.421 3.202 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@@H](C)NC(=O)c2ccoc2)c1-c1cccc(Cl)c1 ZINC000608469963 519993261 /nfs/dbraw/zinc/99/32/61/519993261.db2.gz XQQGUIIVPXWXMB-LLVKDONJSA-N -1 3 372.812 3.389 20 0 FGADHM CCN=c1[n-]c(C(=O)N(Cc2ccccc2)[C@H](CO)C2CCC2)cs1 ZINC000616462795 520025504 /nfs/dbraw/zinc/02/55/04/520025504.db2.gz IIWNBTVXESMWGR-QGZVFWFLSA-N -1 3 359.495 3.378 20 0 FGADHM CCN=c1[n-]c(C(=O)NC[C@@H](NCc2ccccc2)c2ccco2)cs1 ZINC000614693244 521097062 /nfs/dbraw/zinc/09/70/62/521097062.db2.gz MAQYQGQPDQTVEY-OAHLLOKOSA-N -1 3 370.478 3.429 20 0 FGADHM COc1cc(=NC(=O)N2CCC[C@H](c3ccc(F)c(F)c3)C2)[n-]n1C ZINC000626509792 522242851 /nfs/dbraw/zinc/24/28/51/522242851.db2.gz YCVBZRDSVMHCPF-LBPRGKRZSA-N -1 3 350.369 3.118 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@H](C)N(C)CC(F)(F)F)c1-c1ccccc1F ZINC000630024352 522586826 /nfs/dbraw/zinc/58/68/26/522586826.db2.gz PBENVKXTBNFCCQ-JTQLQIEISA-N -1 3 358.339 3.345 20 0 FGADHM CC(C)Cn1c(C(C)(C)C)n[n-]c1=Nc1cnn(C2CCN(C)CC2)c1 ZINC000634426923 523396941 /nfs/dbraw/zinc/39/69/41/523396941.db2.gz XRJDBTUBHLPGKH-UHFFFAOYSA-N -1 3 359.522 3.438 20 0 FGADHM CNC(=O)c1ccc(C(=O)N=c2cc(-c3cc(C)c(C)cc3C)[n-][nH]2)cn1 ZINC000490062291 561425567 /nfs/dbraw/zinc/42/55/67/561425567.db2.gz PLFFWYCNCDBLGH-UHFFFAOYSA-N -1 3 363.421 3.009 20 0 FGADHM Cc1ccccc1-c1cc(=NC(=O)CNC(=O)c2ccc(F)c(F)c2)[nH][n-]1 ZINC000512317197 561899989 /nfs/dbraw/zinc/89/99/89/561899989.db2.gz ULUDRTLJPKPUEY-UHFFFAOYSA-N -1 3 370.359 3.032 20 0 FGADHM CC[C@@](C)([N-]S(=O)(=O)c1cccc(OC)c1F)c1nc(C)cs1 ZINC000655523928 568084982 /nfs/dbraw/zinc/08/49/82/568084982.db2.gz PFVLXUIRPKBZAG-OAHLLOKOSA-N -1 3 358.460 3.203 20 0 FGADHM COc1cccc(S(=O)(=O)[N-][C@H](c2ncc(C)s2)C2CC2)c1F ZINC000655526905 568160834 /nfs/dbraw/zinc/16/08/34/568160834.db2.gz VWDSRYKQBYDGIJ-AWEZNQCLSA-N -1 3 356.444 3.029 20 0 FGADHM CCOc1cccc(-c2cccc([N-]C(=O)c3cc(C(=O)OC)no3)n2)c1 ZINC000617128660 568221277 /nfs/dbraw/zinc/22/12/77/568221277.db2.gz IVZXZQYQVRQTHY-UHFFFAOYSA-N -1 3 367.361 3.174 20 0 FGADHM O=S(=O)([N-]Cc1ccc(Cn2ccnc2)cc1)c1ccc(Cl)s1 ZINC000054534165 568391136 /nfs/dbraw/zinc/39/11/36/568391136.db2.gz URIUWSMIVWOUOQ-UHFFFAOYSA-N -1 3 367.883 3.125 20 0 FGADHM CC[C@@H](OC(=O)COc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1F ZINC000736383665 598823497 /nfs/dbraw/zinc/82/34/97/598823497.db2.gz TWIJIPFDWXYJKL-MRXNPFEDSA-N -1 3 374.347 3.218 20 0 FGADHM CC[C@@H](OC(=O)COc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1F ZINC000736383665 598823498 /nfs/dbraw/zinc/82/34/98/598823498.db2.gz TWIJIPFDWXYJKL-MRXNPFEDSA-N -1 3 374.347 3.218 20 0 FGADHM Cc1cc(Cn2c(C)nnc2-c2cccc(-c3nnn[n-]3)c2)c(C)s1 ZINC000737265753 598825862 /nfs/dbraw/zinc/82/58/62/598825862.db2.gz YKXRCNLZKIKNCE-UHFFFAOYSA-N -1 3 351.439 3.160 20 0 FGADHM Cc1cc(Cn2c(C)nnc2-c2cccc(-c3nn[n-]n3)c2)c(C)s1 ZINC000737265753 598825863 /nfs/dbraw/zinc/82/58/63/598825863.db2.gz YKXRCNLZKIKNCE-UHFFFAOYSA-N -1 3 351.439 3.160 20 0 FGADHM Cc1cccc([C@@H](C)C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)c1 ZINC000737384973 598829829 /nfs/dbraw/zinc/82/98/29/598829829.db2.gz OSTXOGLRWCQMSC-OAHLLOKOSA-N -1 3 361.449 3.470 20 0 FGADHM Cc1cccc([C@@H](C)C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)c1 ZINC000737384973 598829831 /nfs/dbraw/zinc/82/98/31/598829831.db2.gz OSTXOGLRWCQMSC-OAHLLOKOSA-N -1 3 361.449 3.470 20 0 FGADHM COc1ccc(NC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c(OC)c1 ZINC000737103918 598851509 /nfs/dbraw/zinc/85/15/09/598851509.db2.gz LCKIXJHXXAMWFA-UHFFFAOYSA-N -1 3 374.788 3.181 20 0 FGADHM COc1ccc(NC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c(OC)c1 ZINC000737103918 598851510 /nfs/dbraw/zinc/85/15/10/598851510.db2.gz LCKIXJHXXAMWFA-UHFFFAOYSA-N -1 3 374.788 3.181 20 0 FGADHM CCC[C@H](CC1CCCC1)C(=O)OCCNc1ncccc1-c1nnn[n-]1 ZINC000736423581 598857135 /nfs/dbraw/zinc/85/71/35/598857135.db2.gz UIARYWIIXNIZKT-OAHLLOKOSA-N -1 3 372.473 3.213 20 0 FGADHM CCC[C@H](CC1CCCC1)C(=O)OCCNc1ncccc1-c1nn[n-]n1 ZINC000736423581 598857136 /nfs/dbraw/zinc/85/71/36/598857136.db2.gz UIARYWIIXNIZKT-OAHLLOKOSA-N -1 3 372.473 3.213 20 0 FGADHM COC(=O)[C@@H](N[C@H](C)c1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736899739 598857748 /nfs/dbraw/zinc/85/77/48/598857748.db2.gz ZWTGNZBNYCWEPP-BZNIZROVSA-N -1 3 371.828 3.085 20 0 FGADHM COC(=O)[C@@H](N[C@H](C)c1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736899739 598857749 /nfs/dbraw/zinc/85/77/49/598857749.db2.gz ZWTGNZBNYCWEPP-BZNIZROVSA-N -1 3 371.828 3.085 20 0 FGADHM CCN(C(=O)c1cc(C(C)C)no1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736506082 598862773 /nfs/dbraw/zinc/86/27/73/598862773.db2.gz QMIIMKBHIQADGZ-LBPRGKRZSA-N -1 3 354.414 3.201 20 0 FGADHM CCN(C(=O)c1cc(C(C)C)no1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736506082 598862775 /nfs/dbraw/zinc/86/27/75/598862775.db2.gz QMIIMKBHIQADGZ-LBPRGKRZSA-N -1 3 354.414 3.201 20 0 FGADHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)c1cccc(C(F)F)c1 ZINC000736039330 598881324 /nfs/dbraw/zinc/88/13/24/598881324.db2.gz IPDXWGRZWIYVTG-LLVKDONJSA-N -1 3 374.347 3.429 20 0 FGADHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)c1cccc(C(F)F)c1 ZINC000736039330 598881325 /nfs/dbraw/zinc/88/13/25/598881325.db2.gz IPDXWGRZWIYVTG-LLVKDONJSA-N -1 3 374.347 3.429 20 0 FGADHM C[C@@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)[C@@H](C)Cc1ccccc1 ZINC000736038115 598883263 /nfs/dbraw/zinc/88/32/63/598883263.db2.gz SBMFUIQRIGARRO-GJZGRUSLSA-N -1 3 366.421 3.056 20 0 FGADHM C[C@@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)[C@@H](C)Cc1ccccc1 ZINC000736038115 598883264 /nfs/dbraw/zinc/88/32/64/598883264.db2.gz SBMFUIQRIGARRO-GJZGRUSLSA-N -1 3 366.421 3.056 20 0 FGADHM Cc1cccc([C@H](C)C(=O)OCc2cn3ccccc3c2-c2nnn[n-]2)c1 ZINC000737386198 598902374 /nfs/dbraw/zinc/90/23/74/598902374.db2.gz BDYHPWDRMWFXCF-AWEZNQCLSA-N -1 3 361.405 3.275 20 0 FGADHM Cc1cccc([C@H](C)C(=O)OCc2cn3ccccc3c2-c2nn[n-]n2)c1 ZINC000737386198 598902376 /nfs/dbraw/zinc/90/23/76/598902376.db2.gz BDYHPWDRMWFXCF-AWEZNQCLSA-N -1 3 361.405 3.275 20 0 FGADHM CC(C)(CNC(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1cccs1 ZINC000735671014 598906792 /nfs/dbraw/zinc/90/67/92/598906792.db2.gz ZSPHEZVCIYCPJC-UHFFFAOYSA-N -1 3 373.507 3.114 20 0 FGADHM CC(C)(CNC(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1cccs1 ZINC000735671014 598906794 /nfs/dbraw/zinc/90/67/94/598906794.db2.gz ZSPHEZVCIYCPJC-UHFFFAOYSA-N -1 3 373.507 3.114 20 0 FGADHM CC(C)c1ccc([C@H]2C[C@@H]2C(=O)NCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735924031 598910889 /nfs/dbraw/zinc/91/08/89/598910889.db2.gz OGHILGDJPCIPDC-MOPGFXCFSA-N -1 3 361.449 3.410 20 0 FGADHM CC(C)c1ccc([C@H]2C[C@@H]2C(=O)NCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735924031 598910891 /nfs/dbraw/zinc/91/08/91/598910891.db2.gz OGHILGDJPCIPDC-MOPGFXCFSA-N -1 3 361.449 3.410 20 0 FGADHM O=C(NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1)C1CC=CC1 ZINC000738112248 598941740 /nfs/dbraw/zinc/94/17/40/598941740.db2.gz NMNZGGVCTVKKCP-UHFFFAOYSA-N -1 3 351.435 3.178 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)Oc1cccc(C(C)C)c1 ZINC000737301441 598949257 /nfs/dbraw/zinc/94/92/57/598949257.db2.gz NOWHNDVIBUFRAZ-UHFFFAOYSA-N -1 3 358.423 3.066 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)Oc1cccc(C(C)C)c1 ZINC000737301441 598949259 /nfs/dbraw/zinc/94/92/59/598949259.db2.gz NOWHNDVIBUFRAZ-UHFFFAOYSA-N -1 3 358.423 3.066 20 0 FGADHM Cc1c(NCC(=O)Nc2ccc(F)c(Cl)c2)cccc1-c1nnn[n-]1 ZINC000822121352 607255945 /nfs/dbraw/zinc/25/59/45/607255945.db2.gz FPARIPKBPZQXKY-UHFFFAOYSA-N -1 3 360.780 3.018 20 0 FGADHM Cc1c(NCC(=O)Nc2ccc(F)c(Cl)c2)cccc1-c1nn[n-]n1 ZINC000822121352 607255946 /nfs/dbraw/zinc/25/59/46/607255946.db2.gz FPARIPKBPZQXKY-UHFFFAOYSA-N -1 3 360.780 3.018 20 0 FGADHM O[C@H](CNc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccccc1Cl ZINC000738382491 598974372 /nfs/dbraw/zinc/97/43/72/598974372.db2.gz LCKRVELWUGFMOD-CQSZACIVSA-N -1 3 350.209 3.319 20 0 FGADHM O[C@H](CNc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccccc1Cl ZINC000738382491 598974374 /nfs/dbraw/zinc/97/43/74/598974374.db2.gz LCKRVELWUGFMOD-CQSZACIVSA-N -1 3 350.209 3.319 20 0 FGADHM Cc1c(COC(=O)COc2ccc(-c3nn[n-]n3)cc2)oc2ccccc12 ZINC000737216786 598974595 /nfs/dbraw/zinc/97/45/95/598974595.db2.gz YPAZQSGKNJTJSN-UHFFFAOYSA-N -1 3 364.361 3.044 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OCCOc1ccc(Cl)cc1C ZINC000737033189 598978226 /nfs/dbraw/zinc/97/82/26/598978226.db2.gz UBOONGYCHPOSDW-UHFFFAOYSA-N -1 3 360.801 3.295 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OCCOc1ccc(Cl)cc1C ZINC000737033189 598978227 /nfs/dbraw/zinc/97/82/27/598978227.db2.gz UBOONGYCHPOSDW-UHFFFAOYSA-N -1 3 360.801 3.295 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)Nc1ccc(F)cc1OCC1CC1 ZINC000738150811 599013000 /nfs/dbraw/zinc/01/30/00/599013000.db2.gz HCGJGGIQWARTOD-UHFFFAOYSA-N -1 3 368.372 3.439 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)Nc1ccc(F)cc1OCC1CC1 ZINC000738150811 599013001 /nfs/dbraw/zinc/01/30/01/599013001.db2.gz HCGJGGIQWARTOD-UHFFFAOYSA-N -1 3 368.372 3.439 20 0 FGADHM CSc1ccc(O[C@@H](C)C(=O)OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737189831 599016527 /nfs/dbraw/zinc/01/65/27/599016527.db2.gz CKIOHRWRPAGQET-LBPRGKRZSA-N -1 3 370.434 3.099 20 0 FGADHM CSc1ccc(O[C@@H](C)C(=O)OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737189831 599016529 /nfs/dbraw/zinc/01/65/29/599016529.db2.gz CKIOHRWRPAGQET-LBPRGKRZSA-N -1 3 370.434 3.099 20 0 FGADHM CC1(C)[C@H](Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)[C@H]2CCO[C@H]21 ZINC000736204685 599045380 /nfs/dbraw/zinc/04/53/80/599045380.db2.gz FSJDZLPWEJGBJU-RAIGVLPGSA-N -1 3 353.348 3.111 20 0 FGADHM CC1(C)[C@H](Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)[C@H]2CCO[C@H]21 ZINC000736204685 599045382 /nfs/dbraw/zinc/04/53/82/599045382.db2.gz FSJDZLPWEJGBJU-RAIGVLPGSA-N -1 3 353.348 3.111 20 0 FGADHM COc1ccc([C@H](C)Nc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)cc1 ZINC000737073301 599049476 /nfs/dbraw/zinc/04/94/76/599049476.db2.gz BDZNWLMBRMVMJZ-VIFPVBQESA-N -1 3 364.331 3.462 20 0 FGADHM COc1ccc([C@H](C)Nc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)cc1 ZINC000737073301 599049478 /nfs/dbraw/zinc/04/94/78/599049478.db2.gz BDZNWLMBRMVMJZ-VIFPVBQESA-N -1 3 364.331 3.462 20 0 FGADHM Cc1sc2ncnc(NCc3cc(-c4nnn[n-]4)ccc3F)c2c1C ZINC000822563179 599073754 /nfs/dbraw/zinc/07/37/54/599073754.db2.gz GFAIPNURRSSHOS-UHFFFAOYSA-N -1 3 355.402 3.239 20 0 FGADHM Cc1sc2ncnc(NCc3cc(-c4nn[n-]n4)ccc3F)c2c1C ZINC000822563179 599073757 /nfs/dbraw/zinc/07/37/57/599073757.db2.gz GFAIPNURRSSHOS-UHFFFAOYSA-N -1 3 355.402 3.239 20 0 FGADHM C[C@H]1CN(c2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)C[C@H](C)S1 ZINC000820766158 599074129 /nfs/dbraw/zinc/07/41/29/599074129.db2.gz ADIYGMIBIYRCTA-IUCAKERBSA-N -1 3 362.409 3.023 20 0 FGADHM C[C@H]1CN(c2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)C[C@H](C)S1 ZINC000820766158 599074132 /nfs/dbraw/zinc/07/41/32/599074132.db2.gz ADIYGMIBIYRCTA-IUCAKERBSA-N -1 3 362.409 3.023 20 0 FGADHM C[C@@H]1CCC[C@@H](C)N(C(=O)CSCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736245576 599086833 /nfs/dbraw/zinc/08/68/33/599086833.db2.gz SWNAFRMSCXVTNV-ZIAGYGMSSA-N -1 3 359.499 3.137 20 0 FGADHM C[C@@H]1CCC[C@@H](C)N(C(=O)CSCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736245576 599086835 /nfs/dbraw/zinc/08/68/35/599086835.db2.gz SWNAFRMSCXVTNV-ZIAGYGMSSA-N -1 3 359.499 3.137 20 0 FGADHM C[C@H](CNc1nc2c(cc1-c1nnn[n-]1)CCC2)Oc1ccc(Cl)cc1 ZINC000820281883 599092366 /nfs/dbraw/zinc/09/23/66/599092366.db2.gz YSRMULGMVXSWRI-LLVKDONJSA-N -1 3 370.844 3.283 20 0 FGADHM C[C@H](CNc1nc2c(cc1-c1nn[n-]n1)CCC2)Oc1ccc(Cl)cc1 ZINC000820281883 599092369 /nfs/dbraw/zinc/09/23/69/599092369.db2.gz YSRMULGMVXSWRI-LLVKDONJSA-N -1 3 370.844 3.283 20 0 FGADHM CC(C)CCc1ccc(N[C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735817951 599094976 /nfs/dbraw/zinc/09/49/76/599094976.db2.gz HJKBSUJVECYDCX-GOSISDBHSA-N -1 3 364.453 3.094 20 0 FGADHM CC(C)CCc1ccc(N[C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735817951 599094979 /nfs/dbraw/zinc/09/49/79/599094979.db2.gz HJKBSUJVECYDCX-GOSISDBHSA-N -1 3 364.453 3.094 20 0 FGADHM C[C@H]1CN(c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)[C@H]1c1ccccc1 ZINC000820775496 599095136 /nfs/dbraw/zinc/09/51/36/599095136.db2.gz ILHMXDSHSBTCEY-IINYFYTJSA-N -1 3 360.343 3.478 20 0 FGADHM C[C@H]1CN(c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)[C@H]1c1ccccc1 ZINC000820775496 599095138 /nfs/dbraw/zinc/09/51/38/599095138.db2.gz ILHMXDSHSBTCEY-IINYFYTJSA-N -1 3 360.343 3.478 20 0 FGADHM CC(C)[C@@H]1CN(c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CCS1 ZINC000820046306 599097232 /nfs/dbraw/zinc/09/72/32/599097232.db2.gz RJQJJDZEWQJJKL-ZDUSSCGKSA-N -1 3 357.405 3.463 20 0 FGADHM CC(C)[C@@H]1CN(c2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CCS1 ZINC000820046306 599097234 /nfs/dbraw/zinc/09/72/34/599097234.db2.gz RJQJJDZEWQJJKL-ZDUSSCGKSA-N -1 3 357.405 3.463 20 0 FGADHM O[C@H](C[C@@H]1CCCN1c1cccc(F)c1-c1nnn[n-]1)c1ccccc1 ZINC000823674552 599109364 /nfs/dbraw/zinc/10/93/64/599109364.db2.gz RHQRISHOFXTEFZ-WMLDXEAASA-N -1 3 353.401 3.098 20 0 FGADHM O[C@H](C[C@@H]1CCCN1c1cccc(F)c1-c1nn[n-]n1)c1ccccc1 ZINC000823674552 599109366 /nfs/dbraw/zinc/10/93/66/599109366.db2.gz RHQRISHOFXTEFZ-WMLDXEAASA-N -1 3 353.401 3.098 20 0 FGADHM O[C@H](C[C@H]1CCCN1c1cccc(F)c1-c1nnn[n-]1)c1ccccc1 ZINC000823674549 599109591 /nfs/dbraw/zinc/10/95/91/599109591.db2.gz RHQRISHOFXTEFZ-RHSMWYFYSA-N -1 3 353.401 3.098 20 0 FGADHM O[C@H](C[C@H]1CCCN1c1cccc(F)c1-c1nn[n-]n1)c1ccccc1 ZINC000823674549 599109592 /nfs/dbraw/zinc/10/95/92/599109592.db2.gz RHQRISHOFXTEFZ-RHSMWYFYSA-N -1 3 353.401 3.098 20 0 FGADHM C[C@@H](Sc1ccccc1-c1nnn[n-]1)C(=O)N(C)Cc1ccccc1 ZINC000736194279 599111013 /nfs/dbraw/zinc/11/10/13/599111013.db2.gz YZRGPQJCOTXLMO-CYBMUJFWSA-N -1 3 353.451 3.006 20 0 FGADHM C[C@@H](Sc1ccccc1-c1nn[n-]n1)C(=O)N(C)Cc1ccccc1 ZINC000736194279 599111014 /nfs/dbraw/zinc/11/10/14/599111014.db2.gz YZRGPQJCOTXLMO-CYBMUJFWSA-N -1 3 353.451 3.006 20 0 FGADHM CCc1ccc(CCOC(=O)CSc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736681554 599127706 /nfs/dbraw/zinc/12/77/06/599127706.db2.gz AWSHESGQSKCMFW-UHFFFAOYSA-N -1 3 368.462 3.307 20 0 FGADHM CCc1ccc(CCOC(=O)CSc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736681554 599127707 /nfs/dbraw/zinc/12/77/07/599127707.db2.gz AWSHESGQSKCMFW-UHFFFAOYSA-N -1 3 368.462 3.307 20 0 FGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)NC[C@@H](C)C(C)(C)C ZINC000735906267 599144464 /nfs/dbraw/zinc/14/44/64/599144464.db2.gz QNYUSIBHKVYWCE-GFCCVEGCSA-N -1 3 360.462 3.458 20 0 FGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)NC[C@@H](C)C(C)(C)C ZINC000735906267 599144467 /nfs/dbraw/zinc/14/44/67/599144467.db2.gz QNYUSIBHKVYWCE-GFCCVEGCSA-N -1 3 360.462 3.458 20 0 FGADHM CC(C)CN(C(=O)CCC1CCOCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820081582 599145955 /nfs/dbraw/zinc/14/59/55/599145955.db2.gz LWGIGUIOAZPKBR-UHFFFAOYSA-N -1 3 357.458 3.063 20 0 FGADHM CC(C)CN(C(=O)CCC1CCOCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820081582 599145957 /nfs/dbraw/zinc/14/59/57/599145957.db2.gz LWGIGUIOAZPKBR-UHFFFAOYSA-N -1 3 357.458 3.063 20 0 FGADHM O=C(OCc1ncc(-c2ccccc2F)o1)c1cccc(-c2nnn[n-]2)c1 ZINC000738245187 599152174 /nfs/dbraw/zinc/15/21/74/599152174.db2.gz NYEZCXYSGOKUNF-UHFFFAOYSA-N -1 3 365.324 3.018 20 0 FGADHM O=C(OCc1ncc(-c2ccccc2F)o1)c1cccc(-c2nn[n-]n2)c1 ZINC000738245187 599152175 /nfs/dbraw/zinc/15/21/75/599152175.db2.gz NYEZCXYSGOKUNF-UHFFFAOYSA-N -1 3 365.324 3.018 20 0 FGADHM C[C@@H](NC(=O)C[C@H](C)c1cccc(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000735977513 599159929 /nfs/dbraw/zinc/15/99/29/599159929.db2.gz SFUDOXCPKIINDP-QWHCGFSZSA-N -1 3 353.401 3.377 20 0 FGADHM C[C@@H](NC(=O)C[C@H](C)c1cccc(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000735977513 599159930 /nfs/dbraw/zinc/15/99/30/599159930.db2.gz SFUDOXCPKIINDP-QWHCGFSZSA-N -1 3 353.401 3.377 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C[C@H](C)c1cccc(F)c1 ZINC000737057900 599160612 /nfs/dbraw/zinc/16/06/12/599160612.db2.gz JZRNSEAXJLYSLT-NSHDSACASA-N -1 3 355.373 3.147 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C[C@H](C)c1cccc(F)c1 ZINC000737057900 599160614 /nfs/dbraw/zinc/16/06/14/599160614.db2.gz JZRNSEAXJLYSLT-NSHDSACASA-N -1 3 355.373 3.147 20 0 FGADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCC[C@@H](C(C)(C)C)CC1 ZINC000736184466 599162012 /nfs/dbraw/zinc/16/20/12/599162012.db2.gz ZRDWJJWHIFWHGK-LSDHHAIUSA-N -1 3 371.485 3.309 20 0 FGADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCC[C@@H](C(C)(C)C)CC1 ZINC000736184466 599162014 /nfs/dbraw/zinc/16/20/14/599162014.db2.gz ZRDWJJWHIFWHGK-LSDHHAIUSA-N -1 3 371.485 3.309 20 0 FGADHM Fc1ccccc1-c1cnc(CSc2cc(-c3nnn[n-]3)ccn2)o1 ZINC000737664046 599164747 /nfs/dbraw/zinc/16/47/47/599164747.db2.gz LYWFXIDMQFWZJT-UHFFFAOYSA-N -1 3 354.370 3.348 20 0 FGADHM Fc1ccccc1-c1cnc(CSc2cc(-c3nn[n-]n3)ccn2)o1 ZINC000737664046 599164749 /nfs/dbraw/zinc/16/47/49/599164749.db2.gz LYWFXIDMQFWZJT-UHFFFAOYSA-N -1 3 354.370 3.348 20 0 FGADHM Fc1ccc(Cl)cc1OCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000737658069 599167292 /nfs/dbraw/zinc/16/72/92/599167292.db2.gz CHWNWFOLAQKRHV-UHFFFAOYSA-N -1 3 372.747 3.288 20 0 FGADHM Fc1ccc(Cl)cc1OCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000737658069 599167295 /nfs/dbraw/zinc/16/72/95/599167295.db2.gz CHWNWFOLAQKRHV-UHFFFAOYSA-N -1 3 372.747 3.288 20 0 FGADHM Cc1sc(NC(=O)COc2ccc(-c3nnn[n-]3)c(F)c2)c(C)c1C ZINC000737562665 599167727 /nfs/dbraw/zinc/16/77/27/599167727.db2.gz LGGPDZFPHCJVBP-UHFFFAOYSA-N -1 3 361.402 3.010 20 0 FGADHM Cc1sc(NC(=O)COc2ccc(-c3nn[n-]n3)c(F)c2)c(C)c1C ZINC000737562665 599167730 /nfs/dbraw/zinc/16/77/30/599167730.db2.gz LGGPDZFPHCJVBP-UHFFFAOYSA-N -1 3 361.402 3.010 20 0 FGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1F)N(C1CC1)C1CCCC1 ZINC000737946386 599170216 /nfs/dbraw/zinc/17/02/16/599170216.db2.gz DFTWTILSIFZQOM-UHFFFAOYSA-N -1 3 361.446 3.032 20 0 FGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1F)N(C1CC1)C1CCCC1 ZINC000737946386 599170218 /nfs/dbraw/zinc/17/02/18/599170218.db2.gz DFTWTILSIFZQOM-UHFFFAOYSA-N -1 3 361.446 3.032 20 0 FGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1F)N1CCCc2ccccc21 ZINC000737947592 599171857 /nfs/dbraw/zinc/17/18/57/599171857.db2.gz MFVQQWPITFOLMR-UHFFFAOYSA-N -1 3 369.425 3.077 20 0 FGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1F)N1CCCc2ccccc21 ZINC000737947592 599171860 /nfs/dbraw/zinc/17/18/60/599171860.db2.gz MFVQQWPITFOLMR-UHFFFAOYSA-N -1 3 369.425 3.077 20 0 FGADHM Cc1nc(SCCC(=O)Nc2ccccc2-c2nnn[n-]2)sc1C ZINC000737482676 599173618 /nfs/dbraw/zinc/17/36/18/599173618.db2.gz KPFRKOJXLBXCAN-UHFFFAOYSA-N -1 3 360.468 3.061 20 0 FGADHM Cc1nc(SCCC(=O)Nc2ccccc2-c2nn[n-]n2)sc1C ZINC000737482676 599173620 /nfs/dbraw/zinc/17/36/20/599173620.db2.gz KPFRKOJXLBXCAN-UHFFFAOYSA-N -1 3 360.468 3.061 20 0 FGADHM Cc1ccncc1C(=O)Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737442795 599178553 /nfs/dbraw/zinc/17/85/53/599178553.db2.gz HLZUJGRZGFEBBD-UHFFFAOYSA-N -1 3 357.373 3.456 20 0 FGADHM Cc1ccncc1C(=O)Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737442795 599178554 /nfs/dbraw/zinc/17/85/54/599178554.db2.gz HLZUJGRZGFEBBD-UHFFFAOYSA-N -1 3 357.373 3.456 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)c1cc2cccc(F)c2o1 ZINC000736626207 599179067 /nfs/dbraw/zinc/17/90/67/599179067.db2.gz FFXRSWPLNKVTCJ-UHFFFAOYSA-N -1 3 368.324 3.370 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)c1cc2cccc(F)c2o1 ZINC000736626207 599179071 /nfs/dbraw/zinc/17/90/71/599179071.db2.gz FFXRSWPLNKVTCJ-UHFFFAOYSA-N -1 3 368.324 3.370 20 0 FGADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)c1ccc(Cl)c(Cl)c1 ZINC000823242282 599180064 /nfs/dbraw/zinc/18/00/64/599180064.db2.gz SYKKFCWBVQBEDU-UHFFFAOYSA-N -1 3 366.183 3.243 20 0 FGADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)c1ccc(Cl)c(Cl)c1 ZINC000823242282 599180066 /nfs/dbraw/zinc/18/00/66/599180066.db2.gz SYKKFCWBVQBEDU-UHFFFAOYSA-N -1 3 366.183 3.243 20 0 FGADHM CCCCCC[C@@H](C)C(=O)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000736446780 599186348 /nfs/dbraw/zinc/18/63/48/599186348.db2.gz PTAQHUAISYONIW-MRXNPFEDSA-N -1 3 370.501 3.122 20 0 FGADHM CCCCCC[C@@H](C)C(=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000736446780 599186350 /nfs/dbraw/zinc/18/63/50/599186350.db2.gz PTAQHUAISYONIW-MRXNPFEDSA-N -1 3 370.501 3.122 20 0 FGADHM CC(C)(C)[C@@H]1CCCN(C(=O)NCc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000735598375 599187184 /nfs/dbraw/zinc/18/71/84/599187184.db2.gz ZAJKNNFZIYMAIV-MRXNPFEDSA-N -1 3 356.474 3.225 20 0 FGADHM CC(C)(C)[C@@H]1CCCN(C(=O)NCc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000735598375 599187185 /nfs/dbraw/zinc/18/71/85/599187185.db2.gz ZAJKNNFZIYMAIV-MRXNPFEDSA-N -1 3 356.474 3.225 20 0 FGADHM CO[C@H](C)C(=O)N(Cc1ccc(Cl)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000736957480 599210527 /nfs/dbraw/zinc/21/05/27/599210527.db2.gz HSEGQZCMOBAHNP-GFCCVEGCSA-N -1 3 371.828 3.088 20 0 FGADHM CO[C@H](C)C(=O)N(Cc1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000736957480 599210529 /nfs/dbraw/zinc/21/05/29/599210529.db2.gz HSEGQZCMOBAHNP-GFCCVEGCSA-N -1 3 371.828 3.088 20 0 FGADHM CN1CCCN(C(=O)c2sccc2-c2nnn[n-]2)c2cc(Cl)ccc21 ZINC000736859772 599210922 /nfs/dbraw/zinc/21/09/22/599210922.db2.gz JHGFPCCMTDQOIW-UHFFFAOYSA-N -1 3 374.857 3.068 20 0 FGADHM CN1CCCN(C(=O)c2sccc2-c2nn[n-]n2)c2cc(Cl)ccc21 ZINC000736859772 599210925 /nfs/dbraw/zinc/21/09/25/599210925.db2.gz JHGFPCCMTDQOIW-UHFFFAOYSA-N -1 3 374.857 3.068 20 0 FGADHM CC[C@H](OC)C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000820939484 599218019 /nfs/dbraw/zinc/21/80/19/599218019.db2.gz VQGYRSXQXFEMNP-AWEZNQCLSA-N -1 3 371.372 3.162 20 0 FGADHM CC[C@H](OC)C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000820939484 599218021 /nfs/dbraw/zinc/21/80/21/599218021.db2.gz VQGYRSXQXFEMNP-AWEZNQCLSA-N -1 3 371.372 3.162 20 0 FGADHM Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)c2cccc(-c3nnn[n-]3)c2)o1 ZINC000822233090 599221996 /nfs/dbraw/zinc/22/19/96/599221996.db2.gz HUKLJQGJXXEKOR-MLGOLLRUSA-N -1 3 351.410 3.382 20 0 FGADHM Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)c2cccc(-c3nn[n-]n3)c2)o1 ZINC000822233090 599221998 /nfs/dbraw/zinc/22/19/98/599221998.db2.gz HUKLJQGJXXEKOR-MLGOLLRUSA-N -1 3 351.410 3.382 20 0 FGADHM CCOc1cccc(NC(=S)N(C)Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821430638 599225240 /nfs/dbraw/zinc/22/52/40/599225240.db2.gz AZCVDBFFQCBOFI-UHFFFAOYSA-N -1 3 368.466 3.094 20 0 FGADHM CCOc1cccc(NC(=S)N(C)Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821430638 599225244 /nfs/dbraw/zinc/22/52/44/599225244.db2.gz AZCVDBFFQCBOFI-UHFFFAOYSA-N -1 3 368.466 3.094 20 0 FGADHM CC[C@H]1CN(C(=O)CCc2ccc(-c3nnn[n-]3)cc2)c2ccccc2O1 ZINC000736411666 599228634 /nfs/dbraw/zinc/22/86/34/599228634.db2.gz ROLORCURVVGEMJ-INIZCTEOSA-N -1 3 363.421 3.004 20 0 FGADHM CC[C@H]1CN(C(=O)CCc2ccc(-c3nn[n-]n3)cc2)c2ccccc2O1 ZINC000736411666 599228638 /nfs/dbraw/zinc/22/86/38/599228638.db2.gz ROLORCURVVGEMJ-INIZCTEOSA-N -1 3 363.421 3.004 20 0 FGADHM Fc1cccc([C@@H]2CCN2C(=S)Nc2ccccc2-c2nnn[n-]2)c1 ZINC000822787369 599229187 /nfs/dbraw/zinc/22/91/87/599229187.db2.gz ZZPNBBSUPRSOFX-HNNXBMFYSA-N -1 3 354.414 3.150 20 0 FGADHM Fc1cccc([C@@H]2CCN2C(=S)Nc2ccccc2-c2nn[n-]n2)c1 ZINC000822787369 599229189 /nfs/dbraw/zinc/22/91/89/599229189.db2.gz ZZPNBBSUPRSOFX-HNNXBMFYSA-N -1 3 354.414 3.150 20 0 FGADHM CCOc1ccc(NC(=S)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821422391 599238360 /nfs/dbraw/zinc/23/83/60/599238360.db2.gz WOCMOXBWSWKAJT-LBPRGKRZSA-N -1 3 368.466 3.313 20 0 FGADHM CCOc1ccc(NC(=S)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821422391 599238363 /nfs/dbraw/zinc/23/83/63/599238363.db2.gz WOCMOXBWSWKAJT-LBPRGKRZSA-N -1 3 368.466 3.313 20 0 FGADHM C[C@@H](CNC(=O)Nc1cccc(-c2nnn[n-]2)c1)Oc1cccc(Cl)c1 ZINC000820270279 599243289 /nfs/dbraw/zinc/24/32/89/599243289.db2.gz ZBSIENWKJWELBE-NSHDSACASA-N -1 3 372.816 3.109 20 0 FGADHM C[C@@H](CNC(=O)Nc1cccc(-c2nn[n-]n2)c1)Oc1cccc(Cl)c1 ZINC000820270279 599243291 /nfs/dbraw/zinc/24/32/91/599243291.db2.gz ZBSIENWKJWELBE-NSHDSACASA-N -1 3 372.816 3.109 20 0 FGADHM S=C(Nc1ccccc1-c1nnn[n-]1)N[C@@H]1CSc2ccccc21 ZINC000738409027 599246768 /nfs/dbraw/zinc/24/67/68/599246768.db2.gz OLHXRXQIOUDUAC-CYBMUJFWSA-N -1 3 354.464 3.000 20 0 FGADHM S=C(Nc1ccccc1-c1nn[n-]n1)N[C@@H]1CSc2ccccc21 ZINC000738409027 599246770 /nfs/dbraw/zinc/24/67/70/599246770.db2.gz OLHXRXQIOUDUAC-CYBMUJFWSA-N -1 3 354.464 3.000 20 0 FGADHM O=C(/C=C/C1CCCCC1)NCCSCc1ccccc1-c1nnn[n-]1 ZINC000737798910 599247182 /nfs/dbraw/zinc/24/71/82/599247182.db2.gz VKMSAKVLRCZVRY-ZHACJKMWSA-N -1 3 371.510 3.353 20 0 FGADHM O=C(/C=C/C1CCCCC1)NCCSCc1ccccc1-c1nn[n-]n1 ZINC000737798910 599247184 /nfs/dbraw/zinc/24/71/84/599247184.db2.gz VKMSAKVLRCZVRY-ZHACJKMWSA-N -1 3 371.510 3.353 20 0 FGADHM CC1CCC(N2CCN(C(=O)Nc3cccc(CC(=O)[O-])c3)CC2)CC1 ZINC000737740976 597189952 /nfs/dbraw/zinc/18/99/52/597189952.db2.gz CKPACKPWJSULTM-UHFFFAOYSA-N -1 3 359.470 3.042 20 0 FGADHM CCC(CC)c1cc(CNC(=O)Nc2cccc(-c3nnn[n-]3)c2C)on1 ZINC000820897489 607280473 /nfs/dbraw/zinc/28/04/73/607280473.db2.gz GSWQOCJZWITSDP-UHFFFAOYSA-N -1 3 369.429 3.388 20 0 FGADHM CCC(CC)c1cc(CNC(=O)Nc2cccc(-c3nn[n-]n3)c2C)on1 ZINC000820897489 607280474 /nfs/dbraw/zinc/28/04/74/607280474.db2.gz GSWQOCJZWITSDP-UHFFFAOYSA-N -1 3 369.429 3.388 20 0 FGADHM Cc1ccc([C@@H]2CCCN2C(=O)Nc2cccc(-c3nnn[n-]3)c2C)o1 ZINC000822233781 607281054 /nfs/dbraw/zinc/28/10/54/607281054.db2.gz UZBPUZTXNKYCFP-HNNXBMFYSA-N -1 3 352.398 3.446 20 0 FGADHM Cc1ccc([C@@H]2CCCN2C(=O)Nc2cccc(-c3nn[n-]n3)c2C)o1 ZINC000822233781 607281055 /nfs/dbraw/zinc/28/10/55/607281055.db2.gz UZBPUZTXNKYCFP-HNNXBMFYSA-N -1 3 352.398 3.446 20 0 FGADHM O=C([O-])Cc1ccccc1NC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000819610800 597328596 /nfs/dbraw/zinc/32/85/96/597328596.db2.gz UTXKVRWBCJWASA-LJQANCHMSA-N -1 3 367.449 3.272 20 0 FGADHM Cc1c(NC(=O)NCCSc2ccccc2)cccc1-c1nnn[n-]1 ZINC000822095586 607284315 /nfs/dbraw/zinc/28/43/15/607284315.db2.gz FBDHJUFNZQSRIH-UHFFFAOYSA-N -1 3 354.439 3.089 20 0 FGADHM Cc1c(NC(=O)NCCSc2ccccc2)cccc1-c1nn[n-]n1 ZINC000822095586 607284316 /nfs/dbraw/zinc/28/43/16/607284316.db2.gz FBDHJUFNZQSRIH-UHFFFAOYSA-N -1 3 354.439 3.089 20 0 FGADHM Cc1c(NC(=O)N[C@@H]2CCc3ccc(F)cc32)cccc1-c1nnn[n-]1 ZINC000822089825 607292519 /nfs/dbraw/zinc/29/25/19/607292519.db2.gz HCYYAWXNXAEIFO-MRXNPFEDSA-N -1 3 352.373 3.123 20 0 FGADHM Cc1c(NC(=O)N[C@@H]2CCc3ccc(F)cc32)cccc1-c1nn[n-]n1 ZINC000822089825 607292520 /nfs/dbraw/zinc/29/25/20/607292520.db2.gz HCYYAWXNXAEIFO-MRXNPFEDSA-N -1 3 352.373 3.123 20 0 FGADHM COc1ccc(C(C)(C)C(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1 ZINC000821772635 607295342 /nfs/dbraw/zinc/29/53/42/607295342.db2.gz JDUGALNOEMWNHA-UHFFFAOYSA-N -1 3 351.410 3.100 20 0 FGADHM COc1ccc(C(C)(C)C(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1 ZINC000821772635 607295343 /nfs/dbraw/zinc/29/53/43/607295343.db2.gz JDUGALNOEMWNHA-UHFFFAOYSA-N -1 3 351.410 3.100 20 0 FGADHM CCCCC[C@H](C)NC(=O)CCCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000821048625 607298995 /nfs/dbraw/zinc/29/89/95/607298995.db2.gz DSQGUTLXKRETMT-AWEZNQCLSA-N -1 3 372.473 3.061 20 0 FGADHM CCCCC[C@H](C)NC(=O)CCCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000821048625 607298996 /nfs/dbraw/zinc/29/89/96/607298996.db2.gz DSQGUTLXKRETMT-AWEZNQCLSA-N -1 3 372.473 3.061 20 0 FGADHM CCOc1cc2c(cc1NCc1cc(-c3nnn[n-]3)cs1)O[C@@H](C)C2 ZINC000821401545 607310530 /nfs/dbraw/zinc/31/05/30/607310530.db2.gz WQEUXSLDAPCGJQ-JTQLQIEISA-N -1 3 357.439 3.262 20 0 FGADHM CCOc1cc2c(cc1NCc1cc(-c3nn[n-]n3)cs1)O[C@@H](C)C2 ZINC000821401545 607310531 /nfs/dbraw/zinc/31/05/31/607310531.db2.gz WQEUXSLDAPCGJQ-JTQLQIEISA-N -1 3 357.439 3.262 20 0 FGADHM CC(C)OCCOCc1cccc(NCc2cc(-c3nnn[n-]3)cs2)c1 ZINC000820145937 607314055 /nfs/dbraw/zinc/31/40/55/607314055.db2.gz GTASMLFONXPMGS-UHFFFAOYSA-N -1 3 373.482 3.482 20 0 FGADHM CC(C)OCCOCc1cccc(NCc2cc(-c3nn[n-]n3)cs2)c1 ZINC000820145937 607314056 /nfs/dbraw/zinc/31/40/56/607314056.db2.gz GTASMLFONXPMGS-UHFFFAOYSA-N -1 3 373.482 3.482 20 0 FGADHM CCO[C@H]1C[C@@H](NC(=O)Nc2cc(-c3nnn[n-]3)ccc2C)C12CCCC2 ZINC000821361152 599272154 /nfs/dbraw/zinc/27/21/54/599272154.db2.gz TUKIZHOGKWPOBB-CVEARBPZSA-N -1 3 370.457 3.034 20 0 FGADHM CCO[C@H]1C[C@@H](NC(=O)Nc2cc(-c3nn[n-]n3)ccc2C)C12CCCC2 ZINC000821361152 599272155 /nfs/dbraw/zinc/27/21/55/599272155.db2.gz TUKIZHOGKWPOBB-CVEARBPZSA-N -1 3 370.457 3.034 20 0 FGADHM C[C@@H](NC(=O)Nc1cccc2c1ccn2C)c1cccc(-c2nnn[n-]2)c1 ZINC000820379611 599273478 /nfs/dbraw/zinc/27/34/78/599273478.db2.gz FDNHBZMOAPPCNG-GFCCVEGCSA-N -1 3 361.409 3.241 20 0 FGADHM C[C@@H](NC(=O)Nc1cccc2c1ccn2C)c1cccc(-c2nn[n-]n2)c1 ZINC000820379611 599273481 /nfs/dbraw/zinc/27/34/81/599273481.db2.gz FDNHBZMOAPPCNG-GFCCVEGCSA-N -1 3 361.409 3.241 20 0 FGADHM c1sc(Nc2ccc3c(c2)OCO3)nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC000738421621 599275312 /nfs/dbraw/zinc/27/53/12/599275312.db2.gz RXECVSOINMARGR-UHFFFAOYSA-N -1 3 364.390 3.463 20 0 FGADHM c1sc(Nc2ccc3c(c2)OCO3)nc1-c1ccc(-c2nn[n-]n2)cc1 ZINC000738421621 599275314 /nfs/dbraw/zinc/27/53/14/599275314.db2.gz RXECVSOINMARGR-UHFFFAOYSA-N -1 3 364.390 3.463 20 0 FGADHM CC(C)(Cc1ccccc1)C(=O)OCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000735671066 599277545 /nfs/dbraw/zinc/27/75/45/599277545.db2.gz KYLVHDSGDYWWJE-UHFFFAOYSA-N -1 3 366.421 3.058 20 0 FGADHM C[C@H](NC(=O)Nc1nc2ccsc2s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736116820 599280143 /nfs/dbraw/zinc/28/01/43/599280143.db2.gz NIMGRKFKGJUYMS-QMMMGPOBSA-N -1 3 371.451 3.421 20 0 FGADHM C[C@H](NC(=O)Nc1nc2ccsc2s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736116820 599280144 /nfs/dbraw/zinc/28/01/44/599280144.db2.gz NIMGRKFKGJUYMS-QMMMGPOBSA-N -1 3 371.451 3.421 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N1CCC(C2CCCC2)CC1 ZINC000823331930 599280759 /nfs/dbraw/zinc/28/07/59/599280759.db2.gz IVTSFFVRIVPSIW-UHFFFAOYSA-N -1 3 358.421 3.440 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N1CCC(C2CCCC2)CC1 ZINC000823331930 599280762 /nfs/dbraw/zinc/28/07/62/599280762.db2.gz IVTSFFVRIVPSIW-UHFFFAOYSA-N -1 3 358.421 3.440 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1nc(CC)cs1 ZINC000821104833 599297068 /nfs/dbraw/zinc/29/70/68/599297068.db2.gz SKLUMKVYIDDUDU-UHFFFAOYSA-N -1 3 371.470 3.330 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1nc(CC)cs1 ZINC000821104833 599297071 /nfs/dbraw/zinc/29/70/71/599297071.db2.gz SKLUMKVYIDDUDU-UHFFFAOYSA-N -1 3 371.470 3.330 20 0 FGADHM CC1(C)[C@@H]2CN(C(=O)Nc3ccc(-c4nnn[n-]4)c(C(F)(F)F)c3)C[C@@H]21 ZINC000820582837 599291232 /nfs/dbraw/zinc/29/12/32/599291232.db2.gz AIAJJDSOMWMBHA-TXEJJXNPSA-N -1 3 366.347 3.005 20 0 FGADHM CC1(C)[C@@H]2CN(C(=O)Nc3ccc(-c4nn[n-]n4)c(C(F)(F)F)c3)C[C@@H]21 ZINC000820582837 599291234 /nfs/dbraw/zinc/29/12/34/599291234.db2.gz AIAJJDSOMWMBHA-TXEJJXNPSA-N -1 3 366.347 3.005 20 0 FGADHM CCC[C@@](C)(O)C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821009620 607324090 /nfs/dbraw/zinc/32/40/90/607324090.db2.gz WZROUWZMPDBOBR-LJQANCHMSA-N -1 3 367.409 3.149 20 0 FGADHM CCC[C@@](C)(O)C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821009620 607324091 /nfs/dbraw/zinc/32/40/91/607324091.db2.gz WZROUWZMPDBOBR-LJQANCHMSA-N -1 3 367.409 3.149 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccccc1OC1CCC1 ZINC000737063278 599292129 /nfs/dbraw/zinc/29/21/29/599292129.db2.gz UGUOOJIQKLMGEZ-UHFFFAOYSA-N -1 3 365.393 3.059 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccccc1OC1CCC1 ZINC000737063278 599292131 /nfs/dbraw/zinc/29/21/31/599292131.db2.gz UGUOOJIQKLMGEZ-UHFFFAOYSA-N -1 3 365.393 3.059 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)Nc1ccc(SC(F)F)nc1 ZINC000823308901 607325961 /nfs/dbraw/zinc/32/59/61/607325961.db2.gz LZVBWBQOCVTGQA-UHFFFAOYSA-N -1 3 363.353 3.220 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)Nc1ccc(SC(F)F)nc1 ZINC000823308901 607325962 /nfs/dbraw/zinc/32/59/62/607325962.db2.gz LZVBWBQOCVTGQA-UHFFFAOYSA-N -1 3 363.353 3.220 20 0 FGADHM CC(C)C(=O)Nc1ccc(CNc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000735685506 598235554 /nfs/dbraw/zinc/23/55/54/598235554.db2.gz XBBPWBXBRDBWBM-UHFFFAOYSA-N -1 3 354.389 3.212 20 0 FGADHM CCOc1cc2c(cc1CNc1ccc(-c3nn[n-]n3)cc1F)O[C@@H](C)C2 ZINC000736633442 598235861 /nfs/dbraw/zinc/23/58/61/598235861.db2.gz BFSSOTPQYGKGEO-NSHDSACASA-N -1 3 369.400 3.340 20 0 FGADHM O=C(C=C1CCCCC1)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000737790195 598238421 /nfs/dbraw/zinc/23/84/21/598238421.db2.gz FPVUWJPKEAISKJ-UHFFFAOYSA-N -1 3 367.453 3.127 20 0 FGADHM O=C(C=C1CCCCC1)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000737790195 598238422 /nfs/dbraw/zinc/23/84/22/598238422.db2.gz FPVUWJPKEAISKJ-UHFFFAOYSA-N -1 3 367.453 3.127 20 0 FGADHM Fc1ccc(N2CC[C@@H](CNc3ccc(-c4nn[n-]n4)cc3F)C2)cc1F ZINC000737660849 598242430 /nfs/dbraw/zinc/24/24/30/598242430.db2.gz SMNMQATZEIOXOH-NSHDSACASA-N -1 3 374.370 3.222 20 0 FGADHM Fc1ccc2[nH]c3c(c2c1)CN(Cc1ccc(F)cc1-c1nnn[n-]1)CC3 ZINC000737650388 598250948 /nfs/dbraw/zinc/25/09/48/598250948.db2.gz RBGOYCQYKQYCDX-UHFFFAOYSA-N -1 3 366.375 3.185 20 0 FGADHM Fc1ccc2[nH]c3c(c2c1)CN(Cc1ccc(F)cc1-c1nn[n-]n1)CC3 ZINC000737650388 598250949 /nfs/dbraw/zinc/25/09/49/598250949.db2.gz RBGOYCQYKQYCDX-UHFFFAOYSA-N -1 3 366.375 3.185 20 0 FGADHM CC(=O)Nc1cccc(CSCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000735488613 598273224 /nfs/dbraw/zinc/27/32/24/598273224.db2.gz LECRTAYMTWGCMD-UHFFFAOYSA-N -1 3 369.450 3.137 20 0 FGADHM CC(=O)Nc1cccc(CSCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC000735488613 598273226 /nfs/dbraw/zinc/27/32/26/598273226.db2.gz LECRTAYMTWGCMD-UHFFFAOYSA-N -1 3 369.450 3.137 20 0 FGADHM CC(C)N(Cc1ccccn1)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735874471 598276668 /nfs/dbraw/zinc/27/66/68/598276668.db2.gz PLJWILJAFRXZSG-UHFFFAOYSA-N -1 3 371.832 3.358 20 0 FGADHM CC(C)N(Cc1ccccn1)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735874471 598276669 /nfs/dbraw/zinc/27/66/69/598276669.db2.gz PLJWILJAFRXZSG-UHFFFAOYSA-N -1 3 371.832 3.358 20 0 FGADHM Cc1cc(CNC(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)ccc1F ZINC000737263748 598277151 /nfs/dbraw/zinc/27/71/51/598277151.db2.gz IZKDKXAPIIOENQ-UHFFFAOYSA-N -1 3 371.420 3.192 20 0 FGADHM Cc1cc(CNC(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)ccc1F ZINC000737263748 598277152 /nfs/dbraw/zinc/27/71/52/598277152.db2.gz IZKDKXAPIIOENQ-UHFFFAOYSA-N -1 3 371.420 3.192 20 0 FGADHM CN(C(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000736733472 598278666 /nfs/dbraw/zinc/27/86/66/598278666.db2.gz VTGDIYRCBLVVCK-ZIAGYGMSSA-N -1 3 371.803 3.426 20 0 FGADHM CN(C(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736733472 598278668 /nfs/dbraw/zinc/27/86/68/598278668.db2.gz VTGDIYRCBLVVCK-ZIAGYGMSSA-N -1 3 371.803 3.426 20 0 FGADHM CCCOc1cccc(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000736493966 598279775 /nfs/dbraw/zinc/27/97/75/598279775.db2.gz ZXAMRCGBPADKKN-UHFFFAOYSA-N -1 3 355.373 3.071 20 0 FGADHM CCCOc1cccc(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000736493966 598279776 /nfs/dbraw/zinc/27/97/76/598279776.db2.gz ZXAMRCGBPADKKN-UHFFFAOYSA-N -1 3 355.373 3.071 20 0 FGADHM C[C@H]1CCc2c(C(=O)N(C)c3ccc(-c4nnn[n-]4)cc3F)csc2C1 ZINC000736277706 598281630 /nfs/dbraw/zinc/28/16/30/598281630.db2.gz BVFDOUVAOGGVMN-JTQLQIEISA-N -1 3 371.441 3.469 20 0 FGADHM C[C@H]1CCc2c(C(=O)N(C)c3ccc(-c4nn[n-]n4)cc3F)csc2C1 ZINC000736277706 598281632 /nfs/dbraw/zinc/28/16/32/598281632.db2.gz BVFDOUVAOGGVMN-JTQLQIEISA-N -1 3 371.441 3.469 20 0 FGADHM O=S(=O)(Cc1cccc(-c2nnn[n-]2)c1)c1cc(Cl)ccc1Cl ZINC000738329906 598290882 /nfs/dbraw/zinc/29/08/82/598290882.db2.gz NQOUJMSOWIDQAB-UHFFFAOYSA-N -1 3 369.233 3.147 20 0 FGADHM O=S(=O)(Cc1cccc(-c2nn[n-]n2)c1)c1cc(Cl)ccc1Cl ZINC000738329906 598290883 /nfs/dbraw/zinc/29/08/83/598290883.db2.gz NQOUJMSOWIDQAB-UHFFFAOYSA-N -1 3 369.233 3.147 20 0 FGADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccc2scnc2c1 ZINC000736819291 598292339 /nfs/dbraw/zinc/29/23/39/598292339.db2.gz DIXJLCHKPAGKRZ-UHFFFAOYSA-N -1 3 365.422 3.140 20 0 FGADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccc2scnc2c1 ZINC000736819291 598292340 /nfs/dbraw/zinc/29/23/40/598292340.db2.gz DIXJLCHKPAGKRZ-UHFFFAOYSA-N -1 3 365.422 3.140 20 0 FGADHM CC(C)N(Cc1cccc(F)c1)C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000735874644 598293551 /nfs/dbraw/zinc/29/35/51/598293551.db2.gz SODLWZIHHOHCBA-UHFFFAOYSA-N -1 3 368.416 3.126 20 0 FGADHM CC(C)N(Cc1cccc(F)c1)C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000735874644 598293552 /nfs/dbraw/zinc/29/35/52/598293552.db2.gz SODLWZIHHOHCBA-UHFFFAOYSA-N -1 3 368.416 3.126 20 0 FGADHM C[C@H]1C[C@@H](CC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)CC(C)(C)C1 ZINC000736232715 598298504 /nfs/dbraw/zinc/29/85/04/598298504.db2.gz ZYHJEVOTCJNXQR-STQMWFEESA-N -1 3 359.449 3.475 20 0 FGADHM C[C@H]1C[C@@H](CC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)CC(C)(C)C1 ZINC000736232715 598298506 /nfs/dbraw/zinc/29/85/06/598298506.db2.gz ZYHJEVOTCJNXQR-STQMWFEESA-N -1 3 359.449 3.475 20 0 FGADHM COc1ccc(NC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000737104859 598317248 /nfs/dbraw/zinc/31/72/48/598317248.db2.gz UKBNKNUKPBWIGC-UHFFFAOYSA-N -1 3 360.830 3.338 20 0 FGADHM COc1ccc(NC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000737104859 598317249 /nfs/dbraw/zinc/31/72/49/598317249.db2.gz UKBNKNUKPBWIGC-UHFFFAOYSA-N -1 3 360.830 3.338 20 0 FGADHM Cc1ccc(CNC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000737342797 598317452 /nfs/dbraw/zinc/31/74/52/598317452.db2.gz QCEVZBPPVAPEOI-UHFFFAOYSA-N -1 3 358.858 3.315 20 0 FGADHM Cc1ccc(CNC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000737342797 598317454 /nfs/dbraw/zinc/31/74/54/598317454.db2.gz QCEVZBPPVAPEOI-UHFFFAOYSA-N -1 3 358.858 3.315 20 0 FGADHM CC(C)[C@H]1CCCN1C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735752121 598321291 /nfs/dbraw/zinc/32/12/91/598321291.db2.gz XTHCOZWZXTXMMK-CYBMUJFWSA-N -1 3 350.879 3.337 20 0 FGADHM CC(C)[C@H]1CCCN1C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735752121 598321292 /nfs/dbraw/zinc/32/12/92/598321292.db2.gz XTHCOZWZXTXMMK-CYBMUJFWSA-N -1 3 350.879 3.337 20 0 FGADHM COc1ccc(NC(=S)Nc2cc(-c3nnn[n-]3)ccc2C)cc1F ZINC000737105354 598324256 /nfs/dbraw/zinc/32/42/56/598324256.db2.gz XHGXTUCRSIIIPZ-UHFFFAOYSA-N -1 3 358.402 3.132 20 0 FGADHM COc1ccc(NC(=S)Nc2cc(-c3nn[n-]n3)ccc2C)cc1F ZINC000737105354 598324258 /nfs/dbraw/zinc/32/42/58/598324258.db2.gz XHGXTUCRSIIIPZ-UHFFFAOYSA-N -1 3 358.402 3.132 20 0 FGADHM CCC[C@H](CC)NC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000736425672 598327709 /nfs/dbraw/zinc/32/77/09/598327709.db2.gz WSVWQGKGPMKDAS-HNNXBMFYSA-N -1 3 369.425 3.347 20 0 FGADHM CCC[C@H](CC)NC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000736425672 598327710 /nfs/dbraw/zinc/32/77/10/598327710.db2.gz WSVWQGKGPMKDAS-HNNXBMFYSA-N -1 3 369.425 3.347 20 0 FGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)N1CCC[C@@H]1c1cccs1 ZINC000738099455 598329699 /nfs/dbraw/zinc/32/96/99/598329699.db2.gz FRHWATXHMCWHBF-CQSZACIVSA-N -1 3 372.429 3.114 20 0 FGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)N1CCC[C@@H]1c1cccs1 ZINC000738099455 598329701 /nfs/dbraw/zinc/32/97/01/598329701.db2.gz FRHWATXHMCWHBF-CQSZACIVSA-N -1 3 372.429 3.114 20 0 FGADHM C[C@@H](NC(=O)[C@@H]1CCCc2sccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820323583 607352055 /nfs/dbraw/zinc/35/20/55/607352055.db2.gz YIUAFHMZOYNNBL-IAQYHMDHSA-N -1 3 353.451 3.226 20 0 FGADHM C[C@@H](NC(=O)[C@@H]1CCCc2sccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820323583 607352057 /nfs/dbraw/zinc/35/20/57/607352057.db2.gz YIUAFHMZOYNNBL-IAQYHMDHSA-N -1 3 353.451 3.226 20 0 FGADHM O=C(OCc1cn2ccccc2c1-c1nnn[n-]1)c1ccc(C(F)F)cc1 ZINC000738235538 598359967 /nfs/dbraw/zinc/35/99/67/598359967.db2.gz SMYAPGDWRYKERD-UHFFFAOYSA-N -1 3 369.331 3.414 20 0 FGADHM O=C(OCc1cn2ccccc2c1-c1nn[n-]n1)c1ccc(C(F)F)cc1 ZINC000738235538 598359969 /nfs/dbraw/zinc/35/99/69/598359969.db2.gz SMYAPGDWRYKERD-UHFFFAOYSA-N -1 3 369.331 3.414 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NCC1(c2ccccc2C)CC1 ZINC000737294846 598360985 /nfs/dbraw/zinc/36/09/85/598360985.db2.gz RCIXCIMYKSODPV-UHFFFAOYSA-N -1 3 362.437 3.337 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NCC1(c2ccccc2C)CC1 ZINC000737294846 598360986 /nfs/dbraw/zinc/36/09/86/598360986.db2.gz RCIXCIMYKSODPV-UHFFFAOYSA-N -1 3 362.437 3.337 20 0 FGADHM C[C@H](CC(=O)OCCOc1ccccc1-c1nnn[n-]1)c1ccccc1F ZINC000735974956 598370675 /nfs/dbraw/zinc/37/06/75/598370675.db2.gz DXSHMHLSIDNNMY-CYBMUJFWSA-N -1 3 370.384 3.122 20 0 FGADHM C[C@H](CC(=O)OCCOc1ccccc1-c1nn[n-]n1)c1ccccc1F ZINC000735974956 598370678 /nfs/dbraw/zinc/37/06/78/598370678.db2.gz DXSHMHLSIDNNMY-CYBMUJFWSA-N -1 3 370.384 3.122 20 0 FGADHM COc1ccc([C@H](C)Nc2ncc(-c3nnn[n-]3)cc2Cl)cc1OC ZINC000737074514 598390844 /nfs/dbraw/zinc/39/08/44/598390844.db2.gz ITWCXXOVWXPWAD-VIFPVBQESA-N -1 3 360.805 3.105 20 0 FGADHM COc1ccc([C@H](C)Nc2ncc(-c3nn[n-]n3)cc2Cl)cc1OC ZINC000737074514 598390845 /nfs/dbraw/zinc/39/08/45/598390845.db2.gz ITWCXXOVWXPWAD-VIFPVBQESA-N -1 3 360.805 3.105 20 0 FGADHM C[C@H]1c2ccccc2CCN1C(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000736305495 598393962 /nfs/dbraw/zinc/39/39/62/598393962.db2.gz ULUKJXAQCVIYIC-LBPRGKRZSA-N -1 3 350.451 3.183 20 0 FGADHM C[C@H]1c2ccccc2CCN1C(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000736305495 598393964 /nfs/dbraw/zinc/39/39/64/598393964.db2.gz ULUKJXAQCVIYIC-LBPRGKRZSA-N -1 3 350.451 3.183 20 0 FGADHM CO[C@@](C)(C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000736955934 598395804 /nfs/dbraw/zinc/39/58/04/598395804.db2.gz CKLPUDXUEUFEQC-QGZVFWFLSA-N -1 3 357.801 3.020 20 0 FGADHM CO[C@@](C)(C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000736955934 598395806 /nfs/dbraw/zinc/39/58/06/598395806.db2.gz CKLPUDXUEUFEQC-QGZVFWFLSA-N -1 3 357.801 3.020 20 0 FGADHM CO[C@H](C)c1cccc(N[C@H](C)C(=O)Nc2ccccc2-c2nnn[n-]2)c1 ZINC000736962047 598397038 /nfs/dbraw/zinc/39/70/38/598397038.db2.gz MZWMYYWPXGNIJY-CHWSQXEVSA-N -1 3 366.425 3.013 20 0 FGADHM CO[C@H](C)c1cccc(N[C@H](C)C(=O)Nc2ccccc2-c2nn[n-]n2)c1 ZINC000736962047 598397040 /nfs/dbraw/zinc/39/70/40/598397040.db2.gz MZWMYYWPXGNIJY-CHWSQXEVSA-N -1 3 366.425 3.013 20 0 FGADHM CO[C@@H](C)c1cccc(NC(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC000736962180 598412675 /nfs/dbraw/zinc/41/26/75/598412675.db2.gz NNHNJMCPOMOIAP-ZDUSSCGKSA-N -1 3 366.425 3.238 20 0 FGADHM CO[C@@H](C)c1cccc(NC(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC000736962180 598412676 /nfs/dbraw/zinc/41/26/76/598412676.db2.gz NNHNJMCPOMOIAP-ZDUSSCGKSA-N -1 3 366.425 3.238 20 0 FGADHM COc1ccccc1C[C@@H](C)CC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000737154212 598419457 /nfs/dbraw/zinc/41/94/57/598419457.db2.gz YQGTVJVDNCCAKH-CYBMUJFWSA-N -1 3 351.410 3.083 20 0 FGADHM COc1ccccc1C[C@@H](C)CC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000737154212 598419459 /nfs/dbraw/zinc/41/94/59/598419459.db2.gz YQGTVJVDNCCAKH-CYBMUJFWSA-N -1 3 351.410 3.083 20 0 FGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H](C)Cc1ccco1 ZINC000736067012 598427745 /nfs/dbraw/zinc/42/77/45/598427745.db2.gz SXWIHXHCRXKZQE-AWEZNQCLSA-N -1 3 368.441 3.011 20 0 FGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H](C)Cc1ccco1 ZINC000736067012 598427746 /nfs/dbraw/zinc/42/77/46/598427746.db2.gz SXWIHXHCRXKZQE-AWEZNQCLSA-N -1 3 368.441 3.011 20 0 FGADHM O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(-c2nnn[n-]2)cn1 ZINC000738146882 598435001 /nfs/dbraw/zinc/43/50/01/598435001.db2.gz SIOGRNSTOMJAKQ-UHFFFAOYSA-N -1 3 368.706 3.186 20 0 FGADHM O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(-c2nn[n-]n2)cn1 ZINC000738146882 598435003 /nfs/dbraw/zinc/43/50/03/598435003.db2.gz SIOGRNSTOMJAKQ-UHFFFAOYSA-N -1 3 368.706 3.186 20 0 FGADHM CCCCCCOCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000736447663 598436332 /nfs/dbraw/zinc/43/63/32/598436332.db2.gz SOLBUIFEZAKQLH-UHFFFAOYSA-N -1 3 363.487 3.342 20 0 FGADHM CCCCCCOCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000736447663 598436335 /nfs/dbraw/zinc/43/63/35/598436335.db2.gz SOLBUIFEZAKQLH-UHFFFAOYSA-N -1 3 363.487 3.342 20 0 FGADHM O=C(N[C@@H](c1ccc(F)cc1)C1CCCC1)c1ccc(-c2nnn[n-]2)cn1 ZINC000737998245 598444727 /nfs/dbraw/zinc/44/47/27/598444727.db2.gz NOWLQVFSZFXPDY-QGZVFWFLSA-N -1 3 366.400 3.062 20 0 FGADHM O=C(N[C@@H](c1ccc(F)cc1)C1CCCC1)c1ccc(-c2nn[n-]n2)cn1 ZINC000737998245 598444729 /nfs/dbraw/zinc/44/47/29/598444729.db2.gz NOWLQVFSZFXPDY-QGZVFWFLSA-N -1 3 366.400 3.062 20 0 FGADHM CC(C)Oc1ccc(F)cc1NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000735913913 598444947 /nfs/dbraw/zinc/44/49/47/598444947.db2.gz DNUNSCBEGICHBY-YFHOEESVSA-N -1 3 367.384 3.445 20 0 FGADHM CC(C)Oc1ccc(F)cc1NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000735913913 598444950 /nfs/dbraw/zinc/44/49/50/598444950.db2.gz DNUNSCBEGICHBY-YFHOEESVSA-N -1 3 367.384 3.445 20 0 FGADHM CCN(C(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1)[C@@H]1CCCC[C@@H]1C ZINC000736503473 598445520 /nfs/dbraw/zinc/44/55/20/598445520.db2.gz XDYRCVGMBWGELN-OFQRWUPVSA-N -1 3 357.458 3.061 20 0 FGADHM CCN(C(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1)[C@@H]1CCCC[C@@H]1C ZINC000736503473 598445521 /nfs/dbraw/zinc/44/55/21/598445521.db2.gz XDYRCVGMBWGELN-OFQRWUPVSA-N -1 3 357.458 3.061 20 0 FGADHM Cc1ccc2cccc(NC(=O)[C@@H](C)Oc3ccc(-c4nn[n-]n4)cc3)c2n1 ZINC000737374631 598445977 /nfs/dbraw/zinc/44/59/77/598445977.db2.gz PYKLDIIKNOUZTQ-CYBMUJFWSA-N -1 3 374.404 3.129 20 0 FGADHM CC[C@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1nc2ccccc2[nH]1 ZINC000736355421 598446288 /nfs/dbraw/zinc/44/62/88/598446288.db2.gz HYURTGZAVBDXKF-SSCKCOOKSA-N -1 3 373.420 3.024 20 0 FGADHM CC[C@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1nc2ccccc2[nH]1 ZINC000736355421 598446289 /nfs/dbraw/zinc/44/62/89/598446289.db2.gz HYURTGZAVBDXKF-SSCKCOOKSA-N -1 3 373.420 3.024 20 0 FGADHM O=C(Nc1cccnc1Cl)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000738196908 598468846 /nfs/dbraw/zinc/46/88/46/598468846.db2.gz OUTIJRLWIDQULI-UHFFFAOYSA-N -1 3 369.816 3.112 20 0 FGADHM O=C(Nc1cccnc1Cl)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000738196908 598468847 /nfs/dbraw/zinc/46/88/47/598468847.db2.gz OUTIJRLWIDQULI-UHFFFAOYSA-N -1 3 369.816 3.112 20 0 FGADHM Cc1ccc(CNC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)s1 ZINC000737340711 598477982 /nfs/dbraw/zinc/47/79/82/598477982.db2.gz BUFUDAWVNLYRMP-UHFFFAOYSA-N -1 3 368.466 3.111 20 0 FGADHM Cc1ccc(CNC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)s1 ZINC000737340711 598477983 /nfs/dbraw/zinc/47/79/83/598477983.db2.gz BUFUDAWVNLYRMP-UHFFFAOYSA-N -1 3 368.466 3.111 20 0 FGADHM Cc1ccc([C@@H](C)NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)o1 ZINC000737320736 598478200 /nfs/dbraw/zinc/47/82/00/598478200.db2.gz OQDRGBGAHAYGCI-CYBMUJFWSA-N -1 3 366.425 3.203 20 0 FGADHM Cc1ccc([C@@H](C)NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)o1 ZINC000737320736 598478202 /nfs/dbraw/zinc/47/82/02/598478202.db2.gz OQDRGBGAHAYGCI-CYBMUJFWSA-N -1 3 366.425 3.203 20 0 FGADHM C[C@@H](OC(=O)CCCOc1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000736152273 598487570 /nfs/dbraw/zinc/48/75/70/598487570.db2.gz SKHZGBZFAYHSMS-CQSZACIVSA-N -1 3 352.394 3.330 20 0 FGADHM C[C@@H](OC(=O)CCCOc1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000736152273 598487572 /nfs/dbraw/zinc/48/75/72/598487572.db2.gz SKHZGBZFAYHSMS-CQSZACIVSA-N -1 3 352.394 3.330 20 0 FGADHM C[C@H](OC(=O)COc1cccc(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000736156784 598487588 /nfs/dbraw/zinc/48/75/88/598487588.db2.gz WYOKOEVJNCXAMQ-NSHDSACASA-N -1 3 358.785 3.203 20 0 FGADHM C[C@H](OC(=O)COc1cccc(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000736156784 598487590 /nfs/dbraw/zinc/48/75/90/598487590.db2.gz WYOKOEVJNCXAMQ-NSHDSACASA-N -1 3 358.785 3.203 20 0 FGADHM C[C@H](OC(=O)c1cc2c(cccc2F)[nH]1)c1cccc(-c2nnn[n-]2)c1 ZINC000736160050 598487656 /nfs/dbraw/zinc/48/76/56/598487656.db2.gz PEPWJFPTIWNAOO-JTQLQIEISA-N -1 3 351.341 3.405 20 0 FGADHM C[C@H](OC(=O)c1cc2c(cccc2F)[nH]1)c1cccc(-c2nn[n-]n2)c1 ZINC000736160050 598487658 /nfs/dbraw/zinc/48/76/58/598487658.db2.gz PEPWJFPTIWNAOO-JTQLQIEISA-N -1 3 351.341 3.405 20 0 FGADHM COc1ccc(CCC(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1F ZINC000737086200 598488477 /nfs/dbraw/zinc/48/84/77/598488477.db2.gz FVRKFWGNCHNSGJ-GFCCVEGCSA-N -1 3 370.384 3.251 20 0 FGADHM COc1ccc(CCC(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1F ZINC000737086200 598488479 /nfs/dbraw/zinc/48/84/79/598488479.db2.gz FVRKFWGNCHNSGJ-GFCCVEGCSA-N -1 3 370.384 3.251 20 0 FGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000735655300 598488737 /nfs/dbraw/zinc/48/87/37/598488737.db2.gz MPWKFATXYULCBX-LSDHHAIUSA-N -1 3 368.416 3.305 20 0 FGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000735655300 598488738 /nfs/dbraw/zinc/48/87/38/598488738.db2.gz MPWKFATXYULCBX-LSDHHAIUSA-N -1 3 368.416 3.305 20 0 FGADHM Cc1cccc(C)c1OCC(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000737389371 598489967 /nfs/dbraw/zinc/48/99/67/598489967.db2.gz IBEUSEFESJSKNU-CQSZACIVSA-N -1 3 352.394 3.167 20 0 FGADHM Cc1cccc(C)c1OCC(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000737389371 598489969 /nfs/dbraw/zinc/48/99/69/598489969.db2.gz IBEUSEFESJSKNU-CQSZACIVSA-N -1 3 352.394 3.167 20 0 FGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)CCc1cc(F)ccc1F ZINC000735660759 598490458 /nfs/dbraw/zinc/49/04/58/598490458.db2.gz OXTMGPCELDBDHR-UHFFFAOYSA-N -1 3 374.395 3.273 20 0 FGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)CCc1cc(F)ccc1F ZINC000735660759 598490459 /nfs/dbraw/zinc/49/04/59/598490459.db2.gz OXTMGPCELDBDHR-UHFFFAOYSA-N -1 3 374.395 3.273 20 0 FGADHM COc1ccc(C=CC(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737082499 598490517 /nfs/dbraw/zinc/49/05/17/598490517.db2.gz WCFLWURWVCAMPR-BIRHUZIMSA-N -1 3 350.378 3.193 20 0 FGADHM COc1ccc(C=CC(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737082499 598490519 /nfs/dbraw/zinc/49/05/19/598490519.db2.gz WCFLWURWVCAMPR-BIRHUZIMSA-N -1 3 350.378 3.193 20 0 FGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)CCc1cccc(F)c1F ZINC000735662068 598490620 /nfs/dbraw/zinc/49/06/20/598490620.db2.gz ZQWQOUNXUKICHH-UHFFFAOYSA-N -1 3 374.395 3.273 20 0 FGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)CCc1cccc(F)c1F ZINC000735662068 598490622 /nfs/dbraw/zinc/49/06/22/598490622.db2.gz ZQWQOUNXUKICHH-UHFFFAOYSA-N -1 3 374.395 3.273 20 0 FGADHM O[C@H](c1ccc(F)cc1)C1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000738389735 598504571 /nfs/dbraw/zinc/50/45/71/598504571.db2.gz ZRELONJGLUMSLT-GOSISDBHSA-N -1 3 371.391 3.095 20 0 FGADHM O[C@H](c1ccc(F)cc1)C1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000738389735 598504572 /nfs/dbraw/zinc/50/45/72/598504572.db2.gz ZRELONJGLUMSLT-GOSISDBHSA-N -1 3 371.391 3.095 20 0 FGADHM O=C(CSc1ccnc2ccccc21)Nc1cccc(-c2nnn[n-]2)c1 ZINC000737946291 598504886 /nfs/dbraw/zinc/50/48/86/598504886.db2.gz DWDFLLWHTNTQSC-UHFFFAOYSA-N -1 3 362.418 3.146 20 0 FGADHM O=C(CSc1ccnc2ccccc21)Nc1cccc(-c2nn[n-]n2)c1 ZINC000737946291 598504887 /nfs/dbraw/zinc/50/48/87/598504887.db2.gz DWDFLLWHTNTQSC-UHFFFAOYSA-N -1 3 362.418 3.146 20 0 FGADHM Cc1cccc(NC(=O)CN(C)c2ccc(-c3nnn[n-]3)c(Cl)c2)c1C ZINC000737401607 598508204 /nfs/dbraw/zinc/50/82/04/598508204.db2.gz ZVGHOLOKTWPPFS-UHFFFAOYSA-N -1 3 370.844 3.212 20 0 FGADHM Cc1cccc(NC(=O)CN(C)c2ccc(-c3nn[n-]n3)c(Cl)c2)c1C ZINC000737401607 598508205 /nfs/dbraw/zinc/50/82/05/598508205.db2.gz ZVGHOLOKTWPPFS-UHFFFAOYSA-N -1 3 370.844 3.212 20 0 FGADHM Clc1ccc(NCc2ccccc2Cn2cccn2)c(-c2nnn[n-]2)c1 ZINC000737575409 598508554 /nfs/dbraw/zinc/50/85/54/598508554.db2.gz UFFMLBFAYBEXDN-UHFFFAOYSA-N -1 3 365.828 3.377 20 0 FGADHM Clc1ccc(NCc2ccccc2Cn2cccn2)c(-c2nn[n-]n2)c1 ZINC000737575409 598508555 /nfs/dbraw/zinc/50/85/55/598508555.db2.gz UFFMLBFAYBEXDN-UHFFFAOYSA-N -1 3 365.828 3.377 20 0 FGADHM COc1ccc(COCCSCc2ccccc2-c2nnn[n-]2)cc1 ZINC000737097851 598512151 /nfs/dbraw/zinc/51/21/51/598512151.db2.gz NUTMWUISDLKIAK-UHFFFAOYSA-N -1 3 356.451 3.325 20 0 FGADHM COc1ccc(COCCSCc2ccccc2-c2nn[n-]n2)cc1 ZINC000737097851 598512153 /nfs/dbraw/zinc/51/21/53/598512153.db2.gz NUTMWUISDLKIAK-UHFFFAOYSA-N -1 3 356.451 3.325 20 0 FGADHM CCc1c(C)sc(NC(=O)C2(c3ccccc3)CC2)c1-c1nnn[n-]1 ZINC000736670760 598518788 /nfs/dbraw/zinc/51/87/88/598518788.db2.gz QPZFBBUPTZMTJJ-UHFFFAOYSA-N -1 3 353.451 3.469 20 0 FGADHM CCc1c(C)sc(NC(=O)C2(c3ccccc3)CC2)c1-c1nn[n-]n1 ZINC000736670760 598518790 /nfs/dbraw/zinc/51/87/90/598518790.db2.gz QPZFBBUPTZMTJJ-UHFFFAOYSA-N -1 3 353.451 3.469 20 0 FGADHM CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000735796886 598526506 /nfs/dbraw/zinc/52/65/06/598526506.db2.gz JPHORQGYPZSSAU-RDJZCZTQSA-N -1 3 356.474 3.271 20 0 FGADHM CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000735796886 598526507 /nfs/dbraw/zinc/52/65/07/598526507.db2.gz JPHORQGYPZSSAU-RDJZCZTQSA-N -1 3 356.474 3.271 20 0 FGADHM Cc1nc(CC(C)C)sc1C(=O)OCc1cccc(-c2nnn[n-]2)c1 ZINC000737474461 598533004 /nfs/dbraw/zinc/53/30/04/598533004.db2.gz PMKMNYQHJUFMLM-UHFFFAOYSA-N -1 3 357.439 3.187 20 0 FGADHM Cc1nc(CC(C)C)sc1C(=O)OCc1cccc(-c2nn[n-]n2)c1 ZINC000737474461 598533006 /nfs/dbraw/zinc/53/30/06/598533006.db2.gz PMKMNYQHJUFMLM-UHFFFAOYSA-N -1 3 357.439 3.187 20 0 FGADHM CCc1ccc([C@@H](C)C(=O)OCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000736684575 598533258 /nfs/dbraw/zinc/53/32/58/598533258.db2.gz AVJURXPHRDMPMO-GFCCVEGCSA-N -1 3 354.385 3.415 20 0 FGADHM CCc1ccc([C@@H](C)C(=O)OCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000736684575 598533260 /nfs/dbraw/zinc/53/32/60/598533260.db2.gz AVJURXPHRDMPMO-GFCCVEGCSA-N -1 3 354.385 3.415 20 0 FGADHM CC[C@@H](Cc1ccccc1)NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC000736353818 598534247 /nfs/dbraw/zinc/53/42/47/598534247.db2.gz YYSZWBJVWULMHX-HNNXBMFYSA-N -1 3 366.425 3.018 20 0 FGADHM CC[C@@H](Cc1ccccc1)NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC000736353818 598534249 /nfs/dbraw/zinc/53/42/49/598534249.db2.gz YYSZWBJVWULMHX-HNNXBMFYSA-N -1 3 366.425 3.018 20 0 FGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NCc1noc2c1CCCC2 ZINC000735907153 598537299 /nfs/dbraw/zinc/53/72/99/598537299.db2.gz XNPXMFVGBARFJB-UHFFFAOYSA-N -1 3 354.414 3.133 20 0 FGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NCc1noc2c1CCCC2 ZINC000735907153 598537301 /nfs/dbraw/zinc/53/73/01/598537301.db2.gz XNPXMFVGBARFJB-UHFFFAOYSA-N -1 3 354.414 3.133 20 0 FGADHM O=C(NC1CCCCC1)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000738025257 598538165 /nfs/dbraw/zinc/53/81/65/598538165.db2.gz LQDPTOXTALMWIV-UHFFFAOYSA-N -1 3 367.409 3.101 20 0 FGADHM CC[C@H](C)[C@H](C)NC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000736335638 598540172 /nfs/dbraw/zinc/54/01/72/598540172.db2.gz ZDCGJNACVIXHBK-STQMWFEESA-N -1 3 369.425 3.203 20 0 FGADHM O=C(Nc1cc(C(F)(F)F)ccc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000738145400 598543044 /nfs/dbraw/zinc/54/30/44/598543044.db2.gz KCCOSOLBUDQVTB-UHFFFAOYSA-N -1 3 351.263 3.277 20 0 FGADHM O=C(Nc1cc(C(F)(F)F)ccc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000738145400 598543045 /nfs/dbraw/zinc/54/30/45/598543045.db2.gz KCCOSOLBUDQVTB-UHFFFAOYSA-N -1 3 351.263 3.277 20 0 FGADHM Cn1cccc1C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737613456 598543907 /nfs/dbraw/zinc/54/39/07/598543907.db2.gz PEWRWMMMUPXCTC-UHFFFAOYSA-N -1 3 374.404 3.037 20 0 FGADHM Cn1cccc1C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737613456 598543908 /nfs/dbraw/zinc/54/39/08/598543908.db2.gz PEWRWMMMUPXCTC-UHFFFAOYSA-N -1 3 374.404 3.037 20 0 FGADHM O=Cc1c[nH]nc1C=Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000738314564 598546711 /nfs/dbraw/zinc/54/67/11/598546711.db2.gz VGHPBRZCNHTECB-CMDGGOBGSA-N -1 3 372.388 3.152 20 0 FGADHM O=Cc1c[nH]nc1C=Cc1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000738314564 598546712 /nfs/dbraw/zinc/54/67/12/598546712.db2.gz VGHPBRZCNHTECB-CMDGGOBGSA-N -1 3 372.388 3.152 20 0 FGADHM CC(C)(C)c1ccccc1NC(=O)COc1ccc(-c2nnn[n-]2)c(F)c1 ZINC000735652341 598551377 /nfs/dbraw/zinc/55/13/77/598551377.db2.gz GVAWJKCNDWKPHO-UHFFFAOYSA-N -1 3 369.400 3.321 20 0 FGADHM CC(C)(C)c1ccccc1NC(=O)COc1ccc(-c2nn[n-]n2)c(F)c1 ZINC000735652341 598551379 /nfs/dbraw/zinc/55/13/79/598551379.db2.gz GVAWJKCNDWKPHO-UHFFFAOYSA-N -1 3 369.400 3.321 20 0 FGADHM O=C(Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)c1ccccn1 ZINC000738172557 598556110 /nfs/dbraw/zinc/55/61/10/598556110.db2.gz NZBSLQQXWMUMLW-UHFFFAOYSA-N -1 3 358.361 3.306 20 0 FGADHM O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)c1ccccn1 ZINC000738172557 598556111 /nfs/dbraw/zinc/55/61/11/598556111.db2.gz NZBSLQQXWMUMLW-UHFFFAOYSA-N -1 3 358.361 3.306 20 0 FGADHM Cc1cccc(NC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000737400147 598570694 /nfs/dbraw/zinc/57/06/94/598570694.db2.gz QSGKOMOPVYZKIR-GOSISDBHSA-N -1 3 362.437 3.091 20 0 FGADHM CCc1ccccc1NC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000736701698 598574318 /nfs/dbraw/zinc/57/43/18/598574318.db2.gz HDPOJEJIJUAUIL-GOSISDBHSA-N -1 3 362.437 3.037 20 0 FGADHM CCCCOc1ccc(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000736463851 598590540 /nfs/dbraw/zinc/59/05/40/598590540.db2.gz QVHUEQOHJWLSLJ-UHFFFAOYSA-N -1 3 355.373 3.437 20 0 FGADHM CCCCOc1ccc(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000736463851 598590542 /nfs/dbraw/zinc/59/05/42/598590542.db2.gz QVHUEQOHJWLSLJ-UHFFFAOYSA-N -1 3 355.373 3.437 20 0 FGADHM CCC[C@@H](NC(=O)CNc1ccc(-c2nn[n-]n2)cc1)C1CCCCC1 ZINC000736430514 598600091 /nfs/dbraw/zinc/60/00/91/598600091.db2.gz QAGNEGNJUGSNOA-QGZVFWFLSA-N -1 3 356.474 3.144 20 0 FGADHM Cc1c(Cl)cccc1NC(=O)CNc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737216672 598603543 /nfs/dbraw/zinc/60/35/43/598603543.db2.gz VWENUOWZKGPJIZ-UHFFFAOYSA-N -1 3 360.780 3.018 20 0 FGADHM Cc1c(Cl)cccc1NC(=O)CNc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737216672 598603544 /nfs/dbraw/zinc/60/35/44/598603544.db2.gz VWENUOWZKGPJIZ-UHFFFAOYSA-N -1 3 360.780 3.018 20 0 FGADHM O=C(N[C@@H]1CCCC[C@H]1Cc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738027081 598609922 /nfs/dbraw/zinc/60/99/22/598609922.db2.gz XJGQUMNDQWAXDW-RBUKOAKNSA-N -1 3 361.449 3.398 20 0 FGADHM O=C(N[C@@H]1CCCC[C@H]1Cc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738027081 598609923 /nfs/dbraw/zinc/60/99/23/598609923.db2.gz XJGQUMNDQWAXDW-RBUKOAKNSA-N -1 3 361.449 3.398 20 0 FGADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)c1nc(-c2cccc(F)c2)no1 ZINC000736170817 598612093 /nfs/dbraw/zinc/61/20/93/598612093.db2.gz XPYRQDRVFIXYQL-JTQLQIEISA-N -1 3 352.329 3.196 20 0 FGADHM Fc1ccc(CSc2n[nH]c(Cc3cccs3)n2)c(-c2nn[n-]n2)c1 ZINC000737648159 598644683 /nfs/dbraw/zinc/64/46/83/598644683.db2.gz GOJDRJQGPPRZLX-UHFFFAOYSA-N -1 3 373.442 3.069 20 0 FGADHM CN(Cc1ccccc1Cl)C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736827467 598649254 /nfs/dbraw/zinc/64/92/54/598649254.db2.gz DQWACXASQKUIAT-UHFFFAOYSA-N -1 3 373.869 3.271 20 0 FGADHM CN(Cc1ccccc1Cl)C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736827467 598649256 /nfs/dbraw/zinc/64/92/56/598649256.db2.gz DQWACXASQKUIAT-UHFFFAOYSA-N -1 3 373.869 3.271 20 0 FGADHM CC(C)CN(C(=O)CSc1ccc(-c2nnn[n-]2)cc1)C1CCCC1 ZINC000735818276 598651501 /nfs/dbraw/zinc/65/15/01/598651501.db2.gz LCJPOHQESBNLGJ-UHFFFAOYSA-N -1 3 359.499 3.386 20 0 FGADHM CC(C)CN(C(=O)CSc1ccc(-c2nn[n-]n2)cc1)C1CCCC1 ZINC000735818276 598651502 /nfs/dbraw/zinc/65/15/02/598651502.db2.gz LCJPOHQESBNLGJ-UHFFFAOYSA-N -1 3 359.499 3.386 20 0 FGADHM CC(C)(C)CCNC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000735601723 598652108 /nfs/dbraw/zinc/65/21/08/598652108.db2.gz AULRFZGITMKMDR-UHFFFAOYSA-N -1 3 366.425 3.220 20 0 FGADHM CC(C)(C)CCNC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000735601723 598652110 /nfs/dbraw/zinc/65/21/10/598652110.db2.gz AULRFZGITMKMDR-UHFFFAOYSA-N -1 3 366.425 3.220 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C=C(C)c1cccc(F)c1 ZINC000737057059 598656361 /nfs/dbraw/zinc/65/63/61/598656361.db2.gz GHKFAYIUXRKOBL-DHZHZOJOSA-N -1 3 353.357 3.056 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C=C(C)c1cccc(F)c1 ZINC000737057059 598656362 /nfs/dbraw/zinc/65/63/62/598656362.db2.gz GHKFAYIUXRKOBL-DHZHZOJOSA-N -1 3 353.357 3.056 20 0 FGADHM CCCC[C@@H]1CCC[C@H]1NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736441307 598658003 /nfs/dbraw/zinc/65/80/03/598658003.db2.gz PGIHAYHULHOSPF-CZUORRHYSA-N -1 3 359.499 3.434 20 0 FGADHM CCCC[C@@H]1CCC[C@H]1NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736441307 598658005 /nfs/dbraw/zinc/65/80/05/598658005.db2.gz PGIHAYHULHOSPF-CZUORRHYSA-N -1 3 359.499 3.434 20 0 FGADHM COc1ccccc1[C@H](C)CC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737143292 598660347 /nfs/dbraw/zinc/66/03/47/598660347.db2.gz TZEKICQSTVIAGJ-LLVKDONJSA-N -1 3 355.373 3.147 20 0 FGADHM COc1ccccc1[C@H](C)CC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737143292 598660349 /nfs/dbraw/zinc/66/03/49/598660349.db2.gz TZEKICQSTVIAGJ-LLVKDONJSA-N -1 3 355.373 3.147 20 0 FGADHM Cc1cc(NC(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)no1 ZINC000737273553 598665187 /nfs/dbraw/zinc/66/51/87/598665187.db2.gz DTMOKCIWXBRLRV-UHFFFAOYSA-N -1 3 362.349 3.208 20 0 FGADHM Cc1oc(NC(=O)[C@H](C)N2C[C@@H](C)c3ccccc32)c(-c2nnn[n-]2)c1C ZINC000822540989 607364345 /nfs/dbraw/zinc/36/43/45/607364345.db2.gz JPNSBFIGMMRWPU-PWSUYJOCSA-N -1 3 366.425 3.027 20 0 FGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N[C@@H](c1ccccc1)c1cccnc1 ZINC000738179716 598699706 /nfs/dbraw/zinc/69/97/06/598699706.db2.gz ZYXOKLRYQVASHT-SFHVURJKSA-N -1 3 371.404 3.173 20 0 FGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N[C@@H](c1ccccc1)c1cccnc1 ZINC000738179716 598699708 /nfs/dbraw/zinc/69/97/08/598699708.db2.gz ZYXOKLRYQVASHT-SFHVURJKSA-N -1 3 371.404 3.173 20 0 FGADHM C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)N1Cc1ccc(F)cc1-c1nn[n-]n1 ZINC000736290846 598705817 /nfs/dbraw/zinc/70/58/17/598705817.db2.gz CLUGLUGCOIDFJU-TYILLQQXSA-N -1 3 367.428 3.356 20 0 FGADHM C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)N1Cc1ccc(F)cc1-c1nn[n-]n1 ZINC000736290844 598706088 /nfs/dbraw/zinc/70/60/88/598706088.db2.gz CLUGLUGCOIDFJU-PJIJBLCYSA-N -1 3 367.428 3.356 20 0 FGADHM CC(C)c1ccccc1OCCNC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000735931728 598715383 /nfs/dbraw/zinc/71/53/83/598715383.db2.gz CVRZEZPJDQLIJO-UHFFFAOYSA-N -1 3 366.425 3.191 20 0 FGADHM CC(C)c1ccccc1OCCNC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000735931728 598715385 /nfs/dbraw/zinc/71/53/85/598715385.db2.gz CVRZEZPJDQLIJO-UHFFFAOYSA-N -1 3 366.425 3.191 20 0 FGADHM CC(C)(NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC000735671725 598717480 /nfs/dbraw/zinc/71/74/80/598717480.db2.gz CZKLWQIOYMFHON-UHFFFAOYSA-N -1 3 358.352 3.202 20 0 FGADHM CC(C)(NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC000735671725 598717482 /nfs/dbraw/zinc/71/74/82/598717482.db2.gz CZKLWQIOYMFHON-UHFFFAOYSA-N -1 3 358.352 3.202 20 0 FGADHM COc1cccc(-c2nnc(SCc3ccc(-c4nnn[n-]4)cc3)o2)c1 ZINC000737122060 598729277 /nfs/dbraw/zinc/72/92/77/598729277.db2.gz QPZKUTOQWPXWRW-UHFFFAOYSA-N -1 3 366.406 3.218 20 0 FGADHM COc1cccc(-c2nnc(SCc3ccc(-c4nn[n-]n4)cc3)o2)c1 ZINC000737122060 598729280 /nfs/dbraw/zinc/72/92/80/598729280.db2.gz QPZKUTOQWPXWRW-UHFFFAOYSA-N -1 3 366.406 3.218 20 0 FGADHM CCS[C@H]1CCCCN(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000736664411 598750300 /nfs/dbraw/zinc/75/03/00/598750300.db2.gz KFVHUMYXOWQBHW-LBPRGKRZSA-N -1 3 364.450 3.145 20 0 FGADHM CCS[C@H]1CCCCN(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000736664411 598750302 /nfs/dbraw/zinc/75/03/02/598750302.db2.gz KFVHUMYXOWQBHW-LBPRGKRZSA-N -1 3 364.450 3.145 20 0 FGADHM C[C@@H](Oc1cccc(F)c1)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736179818 598751100 /nfs/dbraw/zinc/75/11/00/598751100.db2.gz FXWKWXLTQJMUSK-SECBINFHSA-N -1 3 361.764 3.065 20 0 FGADHM C[C@@H](Oc1cccc(F)c1)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736179818 598751101 /nfs/dbraw/zinc/75/11/01/598751101.db2.gz FXWKWXLTQJMUSK-SECBINFHSA-N -1 3 361.764 3.065 20 0 FGADHM CCc1c(C)sc(NC(=O)C=Cc2cnc(C)s2)c1-c1nnn[n-]1 ZINC000736671367 598764227 /nfs/dbraw/zinc/76/42/27/598764227.db2.gz WZAOLSOFFIGBEK-WAYWQWQTSA-N -1 3 360.468 3.216 20 0 FGADHM CCc1c(C)sc(NC(=O)C=Cc2cnc(C)s2)c1-c1nn[n-]n1 ZINC000736671367 598764229 /nfs/dbraw/zinc/76/42/29/598764229.db2.gz WZAOLSOFFIGBEK-WAYWQWQTSA-N -1 3 360.468 3.216 20 0 FGADHM CC[C@@H](Cc1ccccc1)C(=O)OCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000736351616 598779255 /nfs/dbraw/zinc/77/92/55/598779255.db2.gz PPQNVTUCFAJZIV-INIZCTEOSA-N -1 3 366.421 3.058 20 0 FGADHM c1cc(-c2nnn[n-]2)ccc1COc1ccc(-c2noc(C3CC3)n2)cc1 ZINC000738412950 598789683 /nfs/dbraw/zinc/78/96/83/598789683.db2.gz ODEINQWUYGEMCR-UHFFFAOYSA-N -1 3 360.377 3.373 20 0 FGADHM c1cc(-c2nn[n-]n2)ccc1COc1ccc(-c2noc(C3CC3)n2)cc1 ZINC000738412950 598789685 /nfs/dbraw/zinc/78/96/85/598789685.db2.gz ODEINQWUYGEMCR-UHFFFAOYSA-N -1 3 360.377 3.373 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)CO[C@@H]1CCC[C@H](C)C1 ZINC000736480012 598789891 /nfs/dbraw/zinc/78/98/91/598789891.db2.gz PFBYVLSUVXVJJA-MAUKXSAKSA-N -1 3 371.485 3.201 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)CO[C@@H]1CCC[C@H](C)C1 ZINC000736480012 598789892 /nfs/dbraw/zinc/78/98/92/598789892.db2.gz PFBYVLSUVXVJJA-MAUKXSAKSA-N -1 3 371.485 3.201 20 0 FGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)CO[C@@H]1CCC[C@@H](C)C1 ZINC000736264742 598791408 /nfs/dbraw/zinc/79/14/08/598791408.db2.gz XSSAOAGSKDILEG-UKRRQHHQSA-N -1 3 373.457 3.188 20 0 FGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)CO[C@@H]1CCC[C@@H](C)C1 ZINC000736264742 598791409 /nfs/dbraw/zinc/79/14/09/598791409.db2.gz XSSAOAGSKDILEG-UKRRQHHQSA-N -1 3 373.457 3.188 20 0 FGADHM Fc1ccc([C@@H]2CN(c3ccc(Cl)cc3-c3nnn[n-]3)CCO2)cc1 ZINC000737650588 598793697 /nfs/dbraw/zinc/79/36/97/598793697.db2.gz PVKCQPQWZUHWEW-INIZCTEOSA-N -1 3 359.792 3.237 20 0 FGADHM Fc1ccc([C@@H]2CN(c3ccc(Cl)cc3-c3nn[n-]n3)CCO2)cc1 ZINC000737650588 598793699 /nfs/dbraw/zinc/79/36/99/598793699.db2.gz PVKCQPQWZUHWEW-INIZCTEOSA-N -1 3 359.792 3.237 20 0 FGADHM COc1ccc2c(c1)CCCN(c1ccc(Cl)cc1-c1nnn[n-]1)C2 ZINC000737119057 598795950 /nfs/dbraw/zinc/79/59/50/598795950.db2.gz LPCFVHNCBVEPOS-UHFFFAOYSA-N -1 3 355.829 3.482 20 0 FGADHM COc1ccc2c(c1)CCCN(c1ccc(Cl)cc1-c1nn[n-]n1)C2 ZINC000737119057 598795951 /nfs/dbraw/zinc/79/59/51/598795951.db2.gz LPCFVHNCBVEPOS-UHFFFAOYSA-N -1 3 355.829 3.482 20 0 FGADHM CC(C)(C)CN(CC(F)(F)F)C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000735601814 598806894 /nfs/dbraw/zinc/80/68/94/598806894.db2.gz DTFXGJSHCOQRDU-HJWRWDBZSA-N -1 3 367.375 3.317 20 0 FGADHM CC(C)(C)CN(CC(F)(F)F)C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000735601814 598806895 /nfs/dbraw/zinc/80/68/95/598806895.db2.gz DTFXGJSHCOQRDU-HJWRWDBZSA-N -1 3 367.375 3.317 20 0 FGADHM Fc1cccc2ncnc(N(Cc3ccc(-c4nnn[n-]4)cc3)C3CC3)c12 ZINC000737665798 598815903 /nfs/dbraw/zinc/81/59/03/598815903.db2.gz VJAQWWRJJWMSNJ-UHFFFAOYSA-N -1 3 361.384 3.118 20 0 FGADHM Fc1cccc2ncnc(N(Cc3ccc(-c4nn[n-]n4)cc3)C3CC3)c12 ZINC000737665798 598815905 /nfs/dbraw/zinc/81/59/05/598815905.db2.gz VJAQWWRJJWMSNJ-UHFFFAOYSA-N -1 3 361.384 3.118 20 0 FGADHM FC(F)(F)c1ccccc1CN(c1ncccc1-c1nnn[n-]1)C1CC1 ZINC000737637084 598816072 /nfs/dbraw/zinc/81/60/72/598816072.db2.gz ZAUHZAAWJOLUDA-UHFFFAOYSA-N -1 3 360.343 3.450 20 0 FGADHM FC(F)(F)c1ccccc1CN(c1ncccc1-c1nn[n-]n1)C1CC1 ZINC000737637084 598816074 /nfs/dbraw/zinc/81/60/74/598816074.db2.gz ZAUHZAAWJOLUDA-UHFFFAOYSA-N -1 3 360.343 3.450 20 0 FGADHM CCOc1cc(C(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)ccc1C ZINC000736628963 598822006 /nfs/dbraw/zinc/82/20/06/598822006.db2.gz ZRJCDTUJAYLAPQ-CYBMUJFWSA-N -1 3 351.410 3.065 20 0 FGADHM CCOc1cc(C(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)ccc1C ZINC000736628963 598822008 /nfs/dbraw/zinc/82/20/08/598822008.db2.gz ZRJCDTUJAYLAPQ-CYBMUJFWSA-N -1 3 351.410 3.065 20 0 FGADHM CN(C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736733459 599307469 /nfs/dbraw/zinc/30/74/69/599307469.db2.gz VMOATFISWLARCQ-NEPJUHHUSA-N -1 3 353.348 3.198 20 0 FGADHM CN(C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736733459 599307474 /nfs/dbraw/zinc/30/74/74/599307474.db2.gz VMOATFISWLARCQ-NEPJUHHUSA-N -1 3 353.348 3.198 20 0 FGADHM CN(C(=O)Cc1cccc(C(F)(F)F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736739858 599307532 /nfs/dbraw/zinc/30/75/32/599307532.db2.gz VKYGESILRTVFHT-UHFFFAOYSA-N -1 3 361.327 3.091 20 0 FGADHM CN(C(=O)Cc1cccc(C(F)(F)F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736739858 599307536 /nfs/dbraw/zinc/30/75/36/599307536.db2.gz VKYGESILRTVFHT-UHFFFAOYSA-N -1 3 361.327 3.091 20 0 FGADHM COc1cccc(-c2noc([C@@H](C)Oc3ccccc3-c3nnn[n-]3)n2)c1 ZINC000821854546 599308907 /nfs/dbraw/zinc/30/89/07/599308907.db2.gz MQBJASVHDJRJLY-LLVKDONJSA-N -1 3 364.365 3.065 20 0 FGADHM COc1cccc(-c2noc([C@@H](C)Oc3ccccc3-c3nn[n-]n3)n2)c1 ZINC000821854546 599308908 /nfs/dbraw/zinc/30/89/08/599308908.db2.gz MQBJASVHDJRJLY-LLVKDONJSA-N -1 3 364.365 3.065 20 0 FGADHM CCN(C(=O)CSc1ccccc1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736505934 599309274 /nfs/dbraw/zinc/30/92/74/599309274.db2.gz VGHHQJZULSSJLQ-UHFFFAOYSA-N -1 3 353.451 3.320 20 0 FGADHM CCN(C(=O)CSc1ccccc1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736505934 599309276 /nfs/dbraw/zinc/30/92/76/599309276.db2.gz VGHHQJZULSSJLQ-UHFFFAOYSA-N -1 3 353.451 3.320 20 0 FGADHM CCN(C(=O)CCOc1ccc(C)cc1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736506202 599309837 /nfs/dbraw/zinc/30/98/37/599309837.db2.gz XYNCWQBTTCDOND-UHFFFAOYSA-N -1 3 365.437 3.306 20 0 FGADHM CCN(C(=O)CCOc1ccc(C)cc1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736506202 599309841 /nfs/dbraw/zinc/30/98/41/599309841.db2.gz XYNCWQBTTCDOND-UHFFFAOYSA-N -1 3 365.437 3.306 20 0 FGADHM Cc1nc(-c2ccc(CNc3ncccc3-c3nnn[n-]3)s2)cs1 ZINC000822418710 599318978 /nfs/dbraw/zinc/31/89/78/599318978.db2.gz FHDPWTKUOGVJOC-UHFFFAOYSA-N -1 3 355.452 3.367 20 0 FGADHM Cc1nc(-c2ccc(CNc3ncccc3-c3nn[n-]n3)s2)cs1 ZINC000822418710 599318981 /nfs/dbraw/zinc/31/89/81/599318981.db2.gz FHDPWTKUOGVJOC-UHFFFAOYSA-N -1 3 355.452 3.367 20 0 FGADHM CC(C)Oc1ccc(F)cc1NCCOc1cccc(-c2nnn[n-]2)c1 ZINC000735913994 599327846 /nfs/dbraw/zinc/32/78/46/599327846.db2.gz GEMIAYRKIZCQLU-UHFFFAOYSA-N -1 3 357.389 3.284 20 0 FGADHM CC(C)Oc1ccc(F)cc1NCCOc1cccc(-c2nn[n-]n2)c1 ZINC000735913994 599327848 /nfs/dbraw/zinc/32/78/48/599327848.db2.gz GEMIAYRKIZCQLU-UHFFFAOYSA-N -1 3 357.389 3.284 20 0 FGADHM C[C@H](SCC(=O)N1CCc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000736191005 599328867 /nfs/dbraw/zinc/32/88/67/599328867.db2.gz VFJRUZIGIXLKSU-ZDUSSCGKSA-N -1 3 365.462 3.250 20 0 FGADHM C[C@H](SCC(=O)N1CCc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000736191005 599328869 /nfs/dbraw/zinc/32/88/69/599328869.db2.gz VFJRUZIGIXLKSU-ZDUSSCGKSA-N -1 3 365.462 3.250 20 0 FGADHM Cc1cc(C(=O)CS[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c(C)n1C ZINC000737226624 599329775 /nfs/dbraw/zinc/32/97/75/599329775.db2.gz DBIGQQLPCPCBQF-CYBMUJFWSA-N -1 3 355.467 3.499 20 0 FGADHM Cc1cc(C(=O)CS[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c(C)n1C ZINC000737226624 599329777 /nfs/dbraw/zinc/32/97/77/599329777.db2.gz DBIGQQLPCPCBQF-CYBMUJFWSA-N -1 3 355.467 3.499 20 0 FGADHM C[C@H](S[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1ccccc1 ZINC000736187960 599330498 /nfs/dbraw/zinc/33/04/98/599330498.db2.gz FBHBCURIPRLPMR-KBPBESRZSA-N -1 3 367.478 3.366 20 0 FGADHM C[C@H](S[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1ccccc1 ZINC000736187960 599330501 /nfs/dbraw/zinc/33/05/01/599330501.db2.gz FBHBCURIPRLPMR-KBPBESRZSA-N -1 3 367.478 3.366 20 0 FGADHM Cc1ccc(CNC(=O)CS[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737340806 599332216 /nfs/dbraw/zinc/33/22/16/599332216.db2.gz DBMKOHQBZLYJKA-CQSZACIVSA-N -1 3 367.478 3.286 20 0 FGADHM Cc1ccc(CNC(=O)CS[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737340806 599332217 /nfs/dbraw/zinc/33/22/17/599332217.db2.gz DBMKOHQBZLYJKA-CQSZACIVSA-N -1 3 367.478 3.286 20 0 FGADHM C[C@@H](S[C@@H](C)C(=O)NCc1cccs1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736187946 599332749 /nfs/dbraw/zinc/33/27/49/599332749.db2.gz DVIFFTXMMWNLNH-NEPJUHHUSA-N -1 3 373.507 3.427 20 0 FGADHM C[C@@H](S[C@@H](C)C(=O)NCc1cccs1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736187946 599332752 /nfs/dbraw/zinc/33/27/52/599332752.db2.gz DVIFFTXMMWNLNH-NEPJUHHUSA-N -1 3 373.507 3.427 20 0 FGADHM CCCCOCC(=O)OCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000736461877 599334509 /nfs/dbraw/zinc/33/45/09/599334509.db2.gz ZODMREYUASYEMW-UHFFFAOYSA-N -1 3 366.421 3.394 20 0 FGADHM CCCCOCC(=O)OCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000736461877 599334517 /nfs/dbraw/zinc/33/45/17/599334517.db2.gz ZODMREYUASYEMW-UHFFFAOYSA-N -1 3 366.421 3.394 20 0 FGADHM CC(C)c1cccc(S(=O)(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000820197733 599336572 /nfs/dbraw/zinc/33/65/72/599336572.db2.gz NBGBJJFHUBDUDM-ZDUSSCGKSA-N -1 3 371.466 3.030 20 0 FGADHM CC(C)c1cccc(S(=O)(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000820197733 599336575 /nfs/dbraw/zinc/33/65/75/599336575.db2.gz NBGBJJFHUBDUDM-ZDUSSCGKSA-N -1 3 371.466 3.030 20 0 FGADHM C[C@H](OC(=O)[C@H]1CSc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000736151782 599340170 /nfs/dbraw/zinc/34/01/70/599340170.db2.gz MLDDAENWDZQQBH-NHYWBVRUSA-N -1 3 352.419 3.360 20 0 FGADHM C[C@H](OC(=O)[C@H]1CSc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000736151782 599340172 /nfs/dbraw/zinc/34/01/72/599340172.db2.gz MLDDAENWDZQQBH-NHYWBVRUSA-N -1 3 352.419 3.360 20 0 FGADHM CCCC[C@H](Sc1ccccc1-c1nnn[n-]1)C(=O)Nc1cc(C)on1 ZINC000821043630 599344247 /nfs/dbraw/zinc/34/42/47/599344247.db2.gz QWTYWMFHHJUANU-AWEZNQCLSA-N -1 3 372.454 3.453 20 0 FGADHM CCCC[C@H](Sc1ccccc1-c1nn[n-]n1)C(=O)Nc1cc(C)on1 ZINC000821043630 599344249 /nfs/dbraw/zinc/34/42/49/599344249.db2.gz QWTYWMFHHJUANU-AWEZNQCLSA-N -1 3 372.454 3.453 20 0 FGADHM CCN(C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)[C@@H](C)c1cccc(O)c1 ZINC000736506040 599351946 /nfs/dbraw/zinc/35/19/46/599351946.db2.gz OZBYZPOTFWDOLH-NSHDSACASA-N -1 3 370.388 3.326 20 0 FGADHM CCN(C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)[C@@H](C)c1cccc(O)c1 ZINC000736506040 599351949 /nfs/dbraw/zinc/35/19/49/599351949.db2.gz OZBYZPOTFWDOLH-NSHDSACASA-N -1 3 370.388 3.326 20 0 FGADHM CCCCC[C@H](O)CC(=O)N(CC)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736440234 599359685 /nfs/dbraw/zinc/35/96/85/599359685.db2.gz BFNFTUYYNZFNLX-YOEHRIQHSA-N -1 3 359.474 3.108 20 0 FGADHM CCCCC[C@H](O)CC(=O)N(CC)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736440234 599359688 /nfs/dbraw/zinc/35/96/88/599359688.db2.gz BFNFTUYYNZFNLX-YOEHRIQHSA-N -1 3 359.474 3.108 20 0 FGADHM COc1ccccc1CNc1ccc(Br)cc1-c1nn[n-]n1 ZINC000737152912 599362534 /nfs/dbraw/zinc/36/25/34/599362534.db2.gz OGDHOTIAYKGPCT-UHFFFAOYSA-N -1 3 360.215 3.250 20 0 FGADHM COc1ccccc1CNc1ccc(Br)cc1-c1nnn[n-]1 ZINC000737152912 599362531 /nfs/dbraw/zinc/36/25/31/599362531.db2.gz OGDHOTIAYKGPCT-UHFFFAOYSA-N -1 3 360.215 3.250 20 0 FGADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)CC[C@H]1CC[C@H](C)O1 ZINC000820087730 599364575 /nfs/dbraw/zinc/36/45/75/599364575.db2.gz YMWHHINBYVAYHP-MAUKXSAKSA-N -1 3 371.485 3.199 20 0 FGADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)CC[C@H]1CC[C@H](C)O1 ZINC000820087730 599364576 /nfs/dbraw/zinc/36/45/76/599364576.db2.gz YMWHHINBYVAYHP-MAUKXSAKSA-N -1 3 371.485 3.199 20 0 FGADHM C[C@H](Nc1ccc(N2CCCC2=O)c(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820455729 599376225 /nfs/dbraw/zinc/37/62/25/599376225.db2.gz MQIUAISHACURHJ-LBPRGKRZSA-N -1 3 366.400 3.306 20 0 FGADHM C[C@H](Nc1ccc(N2CCCC2=O)c(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820455729 599376227 /nfs/dbraw/zinc/37/62/27/599376227.db2.gz MQIUAISHACURHJ-LBPRGKRZSA-N -1 3 366.400 3.306 20 0 FGADHM CCC(=CC(=O)OCC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000825028858 607371654 /nfs/dbraw/zinc/37/16/54/607371654.db2.gz KUIRJNLIMRPHTH-OWBHPGMISA-N -1 3 362.389 3.086 20 0 FGADHM CCC(=CC(=O)OCC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000825028858 607371656 /nfs/dbraw/zinc/37/16/56/607371656.db2.gz KUIRJNLIMRPHTH-OWBHPGMISA-N -1 3 362.389 3.086 20 0 FGADHM Cc1c(Cl)ccc2c1N(C(=O)c1ccc(-c3nnn[n-]3)cc1)CCC2 ZINC000737214919 599383294 /nfs/dbraw/zinc/38/32/94/599383294.db2.gz ALYUNAAMLDLYDH-UHFFFAOYSA-N -1 3 353.813 3.422 20 0 FGADHM Cc1c(Cl)ccc2c1N(C(=O)c1ccc(-c3nn[n-]n3)cc1)CCC2 ZINC000737214919 599383297 /nfs/dbraw/zinc/38/32/97/599383297.db2.gz ALYUNAAMLDLYDH-UHFFFAOYSA-N -1 3 353.813 3.422 20 0 FGADHM C[C@@H](NC(=O)N[C@H](C)c1ccc(F)c(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820351242 599398247 /nfs/dbraw/zinc/39/82/47/599398247.db2.gz NMICWAFVMYVLHB-GHMZBOCLSA-N -1 3 372.379 3.266 20 0 FGADHM C[C@@H](NC(=O)N[C@H](C)c1ccc(F)c(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820351242 599398253 /nfs/dbraw/zinc/39/82/53/599398253.db2.gz NMICWAFVMYVLHB-GHMZBOCLSA-N -1 3 372.379 3.266 20 0 FGADHM C[C@H](CNc1cc(-c2nnn[n-]2)c2ccccc2n1)N(C)c1ccccc1 ZINC000736026975 599407971 /nfs/dbraw/zinc/40/79/71/599407971.db2.gz TYFZJROSOGVIAU-CQSZACIVSA-N -1 3 359.437 3.352 20 0 FGADHM C[C@H](CNc1cc(-c2nn[n-]n2)c2ccccc2n1)N(C)c1ccccc1 ZINC000736026975 599407972 /nfs/dbraw/zinc/40/79/72/599407972.db2.gz TYFZJROSOGVIAU-CQSZACIVSA-N -1 3 359.437 3.352 20 0 FGADHM C[C@H]1CCCC[C@H]1OCCNc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000736271053 599409736 /nfs/dbraw/zinc/40/97/36/599409736.db2.gz MGQDVAAIKJJBPU-SUMWQHHRSA-N -1 3 352.442 3.422 20 0 FGADHM C[C@H]1CCCC[C@H]1OCCNc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000736271053 599409739 /nfs/dbraw/zinc/40/97/39/599409739.db2.gz MGQDVAAIKJJBPU-SUMWQHHRSA-N -1 3 352.442 3.422 20 0 FGADHM c1ccc(N2CCCN(c3cc(-c4nnn[n-]4)c4ccccc4n3)CC2)cc1 ZINC000738436626 599416023 /nfs/dbraw/zinc/41/60/23/599416023.db2.gz UDQLGZUAZHVXJP-UHFFFAOYSA-N -1 3 371.448 3.132 20 0 FGADHM c1ccc(N2CCCN(c3cc(-c4nn[n-]n4)c4ccccc4n3)CC2)cc1 ZINC000738436626 599416024 /nfs/dbraw/zinc/41/60/24/599416024.db2.gz UDQLGZUAZHVXJP-UHFFFAOYSA-N -1 3 371.448 3.132 20 0 FGADHM C[C@@H](NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1c(F)cccc1F ZINC000820353081 599416231 /nfs/dbraw/zinc/41/62/31/599416231.db2.gz XXMWGSRCPAVXHT-WDEREUQCSA-N -1 3 372.379 3.266 20 0 FGADHM C[C@@H](NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1c(F)cccc1F ZINC000820353081 599416232 /nfs/dbraw/zinc/41/62/32/599416232.db2.gz XXMWGSRCPAVXHT-WDEREUQCSA-N -1 3 372.379 3.266 20 0 FGADHM CC(C)CC(CC(C)C)NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000820056185 599434793 /nfs/dbraw/zinc/43/47/93/599434793.db2.gz NGMIWOJEZSMGFE-UHFFFAOYSA-N -1 3 362.453 3.266 20 0 FGADHM CC(C)CC(CC(C)C)NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000820056185 599434794 /nfs/dbraw/zinc/43/47/94/599434794.db2.gz NGMIWOJEZSMGFE-UHFFFAOYSA-N -1 3 362.453 3.266 20 0 FGADHM C[C@@H](NC(=O)N[C@H]1CCc2ccc(F)cc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820358893 599436129 /nfs/dbraw/zinc/43/61/29/599436129.db2.gz QEKOMCMYQRKXRN-DIFFPNOSSA-N -1 3 366.400 3.054 20 0 FGADHM C[C@@H](NC(=O)N[C@H]1CCc2ccc(F)cc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820358893 599436132 /nfs/dbraw/zinc/43/61/32/599436132.db2.gz QEKOMCMYQRKXRN-DIFFPNOSSA-N -1 3 366.400 3.054 20 0 FGADHM C[C@H](NC(=O)N[C@H]1c2ccccc2C[C@H]1C)c1cccc(-c2nnn[n-]2)c1 ZINC000820359598 599438363 /nfs/dbraw/zinc/43/83/63/599438363.db2.gz TVYLOPQGIUXPSB-FHSNZYRGSA-N -1 3 362.437 3.160 20 0 FGADHM C[C@H](NC(=O)N[C@H]1c2ccccc2C[C@H]1C)c1cccc(-c2nn[n-]n2)c1 ZINC000820359598 599438367 /nfs/dbraw/zinc/43/83/67/599438367.db2.gz TVYLOPQGIUXPSB-FHSNZYRGSA-N -1 3 362.437 3.160 20 0 FGADHM CSCCCCNc1c(-c2nnn[n-]2)cnc2c(F)ccc(Cl)c21 ZINC000737183586 599443535 /nfs/dbraw/zinc/44/35/35/599443535.db2.gz ZGOWHMFCRPNFKU-UHFFFAOYSA-N -1 3 366.853 3.184 20 0 FGADHM CSCCCCNc1c(-c2nn[n-]n2)cnc2c(F)ccc(Cl)c21 ZINC000737183586 599443537 /nfs/dbraw/zinc/44/35/37/599443537.db2.gz ZGOWHMFCRPNFKU-UHFFFAOYSA-N -1 3 366.853 3.184 20 0 FGADHM COc1ccc(CN[C@H](C)c2csc(C(C)C)n2)cc1-c1nnn[n-]1 ZINC000821803566 599444516 /nfs/dbraw/zinc/44/45/16/599444516.db2.gz GDAIIKDZXBYNEI-LLVKDONJSA-N -1 3 358.471 3.306 20 0 FGADHM COc1ccc(CN[C@H](C)c2csc(C(C)C)n2)cc1-c1nn[n-]n1 ZINC000821803566 599444517 /nfs/dbraw/zinc/44/45/17/599444517.db2.gz GDAIIKDZXBYNEI-LLVKDONJSA-N -1 3 358.471 3.306 20 0 FGADHM CCC[C@H](C)c1cc(NC(=O)CCc2ccc(-c3nnn[n-]3)cc2)n[nH]1 ZINC000821015430 599445168 /nfs/dbraw/zinc/44/51/68/599445168.db2.gz PZTSRBVRGPRXGY-LBPRGKRZSA-N -1 3 353.430 3.065 20 0 FGADHM CCC[C@H](C)c1cc(NC(=O)CCc2ccc(-c3nn[n-]n3)cc2)n[nH]1 ZINC000821015430 599445170 /nfs/dbraw/zinc/44/51/70/599445170.db2.gz PZTSRBVRGPRXGY-LBPRGKRZSA-N -1 3 353.430 3.065 20 0 FGADHM Cc1cccc([C@@H](C)CNC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000822289548 599447028 /nfs/dbraw/zinc/44/70/28/599447028.db2.gz ZBXLDUDZSWIBFQ-LSDHHAIUSA-N -1 3 364.453 3.339 20 0 FGADHM Cc1cccc([C@@H](C)CNC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000822289548 599447029 /nfs/dbraw/zinc/44/70/29/599447029.db2.gz ZBXLDUDZSWIBFQ-LSDHHAIUSA-N -1 3 364.453 3.339 20 0 FGADHM Cc1cccc([C@@H](C)NC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)c1C ZINC000822289394 599464368 /nfs/dbraw/zinc/46/43/68/599464368.db2.gz WSULHKVWGODBFK-CYBMUJFWSA-N -1 3 368.416 3.183 20 0 FGADHM Cc1cccc([C@@H](C)NC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)c1C ZINC000822289394 599464369 /nfs/dbraw/zinc/46/43/69/599464369.db2.gz WSULHKVWGODBFK-CYBMUJFWSA-N -1 3 368.416 3.183 20 0 FGADHM CCOc1cc2c(cc1CNc1ccc(F)cc1-c1nnn[n-]1)O[C@H](C)C2 ZINC000821399897 599464578 /nfs/dbraw/zinc/46/45/78/599464578.db2.gz DQHCWUBZDGGXFO-LLVKDONJSA-N -1 3 369.400 3.340 20 0 FGADHM CCOc1cc2c(cc1CNc1ccc(F)cc1-c1nn[n-]n1)O[C@H](C)C2 ZINC000821399897 599464580 /nfs/dbraw/zinc/46/45/80/599464580.db2.gz DQHCWUBZDGGXFO-LLVKDONJSA-N -1 3 369.400 3.340 20 0 FGADHM CN(Cc1ccc(Br)cc1)c1ccc(F)cc1-c1nnn[n-]1 ZINC000821609569 599464813 /nfs/dbraw/zinc/46/48/13/599464813.db2.gz CPTVBTSSYGMZII-UHFFFAOYSA-N -1 3 362.206 3.405 20 0 FGADHM CN(Cc1ccc(Br)cc1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000821609569 599464815 /nfs/dbraw/zinc/46/48/15/599464815.db2.gz CPTVBTSSYGMZII-UHFFFAOYSA-N -1 3 362.206 3.405 20 0 FGADHM COc1ccc(CN(C)c2c(Cl)cccc2-c2nnn[n-]2)cc1OC ZINC000821795246 599465734 /nfs/dbraw/zinc/46/57/34/599465734.db2.gz WVMFOYNDEKNMDY-UHFFFAOYSA-N -1 3 359.817 3.174 20 0 FGADHM COc1ccc(CN(C)c2c(Cl)cccc2-c2nn[n-]n2)cc1OC ZINC000821795246 599465736 /nfs/dbraw/zinc/46/57/36/599465736.db2.gz WVMFOYNDEKNMDY-UHFFFAOYSA-N -1 3 359.817 3.174 20 0 FGADHM C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736057232 599467849 /nfs/dbraw/zinc/46/78/49/599467849.db2.gz VMVVILNCTIOWMZ-GFCCVEGCSA-N -1 3 355.829 3.223 20 0 FGADHM C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736057232 599467851 /nfs/dbraw/zinc/46/78/51/599467851.db2.gz VMVVILNCTIOWMZ-GFCCVEGCSA-N -1 3 355.829 3.223 20 0 FGADHM C[C@@H](CNC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000820262423 599473247 /nfs/dbraw/zinc/47/32/47/599473247.db2.gz VQIYYURXEZTTPR-KBPBESRZSA-N -1 3 350.426 3.031 20 0 FGADHM C[C@@H](CNC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000820262423 599473250 /nfs/dbraw/zinc/47/32/50/599473250.db2.gz VQIYYURXEZTTPR-KBPBESRZSA-N -1 3 350.426 3.031 20 0 FGADHM O[C@@H](CNc1c(Cl)cccc1-c1nnn[n-]1)c1cccc(Cl)c1 ZINC000823689850 599475211 /nfs/dbraw/zinc/47/52/11/599475211.db2.gz JWCATSHHXMSBFZ-ZDUSSCGKSA-N -1 3 350.209 3.319 20 0 FGADHM O[C@@H](CNc1c(Cl)cccc1-c1nn[n-]n1)c1cccc(Cl)c1 ZINC000823689850 599475214 /nfs/dbraw/zinc/47/52/14/599475214.db2.gz JWCATSHHXMSBFZ-ZDUSSCGKSA-N -1 3 350.209 3.319 20 0 FGADHM C[C@@H](NC(=O)N1CCC[C@]2(CC=CCC2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820348473 599480493 /nfs/dbraw/zinc/48/04/93/599480493.db2.gz CYHBOPNTPAGLKW-FOIQADDNSA-N -1 3 366.469 3.460 20 0 FGADHM C[C@@H](NC(=O)N1CCC[C@]2(CC=CCC2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820348473 599480495 /nfs/dbraw/zinc/48/04/95/599480495.db2.gz CYHBOPNTPAGLKW-FOIQADDNSA-N -1 3 366.469 3.460 20 0 FGADHM C[C@@H](NC(=O)N(C)Cc1cccc(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820340241 599480849 /nfs/dbraw/zinc/48/08/49/599480849.db2.gz IXSIHXWJNUQNHK-GFCCVEGCSA-N -1 3 370.844 3.423 20 0 FGADHM C[C@@H](NC(=O)N(C)Cc1cccc(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820340241 599480852 /nfs/dbraw/zinc/48/08/52/599480852.db2.gz IXSIHXWJNUQNHK-GFCCVEGCSA-N -1 3 370.844 3.423 20 0 FGADHM C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000736234158 599492231 /nfs/dbraw/zinc/49/22/31/599492231.db2.gz IGFIFWGXJKNYFK-WFASDCNBSA-N -1 3 366.400 3.416 20 0 FGADHM C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000736234158 599492233 /nfs/dbraw/zinc/49/22/33/599492233.db2.gz IGFIFWGXJKNYFK-WFASDCNBSA-N -1 3 366.400 3.416 20 0 FGADHM Fc1cc(CNc2c(Cl)cccc2-c2nnn[n-]2)ccc1-n1ccnc1 ZINC000822748317 599495928 /nfs/dbraw/zinc/49/59/28/599495928.db2.gz TWJYOAVXVUJPCR-UHFFFAOYSA-N -1 3 369.791 3.457 20 0 FGADHM Fc1cc(CNc2c(Cl)cccc2-c2nn[n-]n2)ccc1-n1ccnc1 ZINC000822748317 599495929 /nfs/dbraw/zinc/49/59/29/599495929.db2.gz TWJYOAVXVUJPCR-UHFFFAOYSA-N -1 3 369.791 3.457 20 0 FGADHM COc1ccc2c(c1)CCC[C@H]2Nc1c(-c2nnn[n-]2)cnc2ccccc21 ZINC000821849442 599503341 /nfs/dbraw/zinc/50/33/41/599503341.db2.gz IVRZIZXFRMQBSE-LJQANCHMSA-N -1 3 372.432 3.335 20 0 FGADHM COc1ccc2c(c1)CCC[C@H]2Nc1c(-c2nn[n-]n2)cnc2ccccc21 ZINC000821849442 599503344 /nfs/dbraw/zinc/50/33/44/599503344.db2.gz IVRZIZXFRMQBSE-LJQANCHMSA-N -1 3 372.432 3.335 20 0 FGADHM Fc1cccc(Cl)c1CNc1c(-c2nnn[n-]2)cnc2ccccc21 ZINC000822786321 599504745 /nfs/dbraw/zinc/50/47/45/599504745.db2.gz JSOXGLDEBKROAX-UHFFFAOYSA-N -1 3 354.776 3.241 20 0 FGADHM Fc1cccc(Cl)c1CNc1c(-c2nn[n-]n2)cnc2ccccc21 ZINC000822786321 599504748 /nfs/dbraw/zinc/50/47/48/599504748.db2.gz JSOXGLDEBKROAX-UHFFFAOYSA-N -1 3 354.776 3.241 20 0 FGADHM Cc1nc([C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3F)C2)sc1C ZINC000822435769 599509178 /nfs/dbraw/zinc/50/91/78/599509178.db2.gz AWOLYYFOKBNUGW-CYBMUJFWSA-N -1 3 358.446 3.463 20 0 FGADHM CC(C)(C)c1cn2c(n1)CC[C@@H](Nc1c(Cl)cccc1-c1nnn[n-]1)C2 ZINC000819957748 599510084 /nfs/dbraw/zinc/51/00/84/599510084.db2.gz CYOZSLORHJLHCG-LLVKDONJSA-N -1 3 371.876 3.441 20 0 FGADHM CC(C)(C)c1cn2c(n1)CC[C@@H](Nc1c(Cl)cccc1-c1nn[n-]n1)C2 ZINC000819957748 599510087 /nfs/dbraw/zinc/51/00/87/599510087.db2.gz CYOZSLORHJLHCG-LLVKDONJSA-N -1 3 371.876 3.441 20 0 FGADHM CC(C)OCc1ccc(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000820146379 599510592 /nfs/dbraw/zinc/51/05/92/599510592.db2.gz MUUORMAPBDCRPI-AWEZNQCLSA-N -1 3 365.437 3.283 20 0 FGADHM CC(C)OCc1ccc(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000820146379 599510593 /nfs/dbraw/zinc/51/05/93/599510593.db2.gz MUUORMAPBDCRPI-AWEZNQCLSA-N -1 3 365.437 3.283 20 0 FGADHM C[C@@H](NC(=O)CCSc1ccccc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000820327762 599514536 /nfs/dbraw/zinc/51/45/36/599514536.db2.gz JKQWCLPSBHAKES-GFCCVEGCSA-N -1 3 371.441 3.365 20 0 FGADHM C[C@@H](NC(=O)CCSc1ccccc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000820327762 599514537 /nfs/dbraw/zinc/51/45/37/599514537.db2.gz JKQWCLPSBHAKES-GFCCVEGCSA-N -1 3 371.441 3.365 20 0 FGADHM Cc1ccc(-c2cc(C(=O)N[C@@H](C)c3cccc(-c4nnn[n-]4)c3)on2)cc1 ZINC000822212767 599514953 /nfs/dbraw/zinc/51/49/53/599514953.db2.gz GSGYRBBTIAIGKY-ZDUSSCGKSA-N -1 3 374.404 3.321 20 0 FGADHM Cc1ccc(-c2cc(C(=O)N[C@@H](C)c3cccc(-c4nn[n-]n4)c3)on2)cc1 ZINC000822212767 599514955 /nfs/dbraw/zinc/51/49/55/599514955.db2.gz GSGYRBBTIAIGKY-ZDUSSCGKSA-N -1 3 374.404 3.321 20 0 FGADHM C[C@@H](NC(=O)c1nc(Cl)ccc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000820403978 599524098 /nfs/dbraw/zinc/52/40/98/599524098.db2.gz OKKUELDMIHTKFJ-MRVPVSSYSA-N -1 3 363.208 3.060 20 0 FGADHM C[C@@H](NC(=O)c1nc(Cl)ccc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000820403978 599524100 /nfs/dbraw/zinc/52/41/00/599524100.db2.gz OKKUELDMIHTKFJ-MRVPVSSYSA-N -1 3 363.208 3.060 20 0 FGADHM C[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)c1cccc(-c2nnn[n-]2)c1 ZINC000820321903 599525860 /nfs/dbraw/zinc/52/58/60/599525860.db2.gz NQKKLAMETYAUKZ-PGBBXINNSA-N -1 3 351.454 3.260 20 0 FGADHM C[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)c1cccc(-c2nn[n-]n2)c1 ZINC000820321903 599525862 /nfs/dbraw/zinc/52/58/62/599525862.db2.gz NQKKLAMETYAUKZ-PGBBXINNSA-N -1 3 351.454 3.260 20 0 FGADHM CC[C@H](c1ccncc1)N(C)c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000736396696 599530182 /nfs/dbraw/zinc/53/01/82/599530182.db2.gz NPZCNJUZZRCEMH-GFCCVEGCSA-N -1 3 363.347 3.263 20 0 FGADHM CC[C@H](c1ccncc1)N(C)c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000736396696 599530184 /nfs/dbraw/zinc/53/01/84/599530184.db2.gz NPZCNJUZZRCEMH-GFCCVEGCSA-N -1 3 363.347 3.263 20 0 FGADHM C[C@@H](C[C@H](O)c1ccccc1)Nc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000820236241 607382496 /nfs/dbraw/zinc/38/24/96/607382496.db2.gz ZYUIUIYHSPXGRD-UGSOOPFHSA-N -1 3 360.421 3.339 20 0 FGADHM C[C@@H](C[C@H](O)c1ccccc1)Nc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000820236241 607382498 /nfs/dbraw/zinc/38/24/98/607382498.db2.gz ZYUIUIYHSPXGRD-UGSOOPFHSA-N -1 3 360.421 3.339 20 0 FGADHM Cc1ccc2[nH]c(C(=O)N[C@H](C)c3cccc(-c4nnn[n-]4)c3)cc2c1C ZINC000822271321 599535062 /nfs/dbraw/zinc/53/50/62/599535062.db2.gz XBODISZAHCFPAM-CYBMUJFWSA-N -1 3 360.421 3.456 20 0 FGADHM Cc1ccc2[nH]c(C(=O)N[C@H](C)c3cccc(-c4nn[n-]n4)c3)cc2c1C ZINC000822271321 599535065 /nfs/dbraw/zinc/53/50/65/599535065.db2.gz XBODISZAHCFPAM-CYBMUJFWSA-N -1 3 360.421 3.456 20 0 FGADHM Cc1cccc(C)c1OCCC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822299226 599535344 /nfs/dbraw/zinc/53/53/44/599535344.db2.gz BXDUBGUQLWYITE-HNNXBMFYSA-N -1 3 365.437 3.130 20 0 FGADHM Cc1cccc(C)c1OCCC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822299226 599535347 /nfs/dbraw/zinc/53/53/47/599535347.db2.gz BXDUBGUQLWYITE-HNNXBMFYSA-N -1 3 365.437 3.130 20 0 FGADHM COc1ccccc1[C@H]1CCN(c2cc(-c3nnn[n-]3)c3ccccc3n2)C1 ZINC000737147530 599537366 /nfs/dbraw/zinc/53/73/66/599537366.db2.gz MMRJDBYVNSRMEB-AWEZNQCLSA-N -1 3 372.432 3.417 20 0 FGADHM COc1ccccc1[C@H]1CCN(c2cc(-c3nn[n-]n3)c3ccccc3n2)C1 ZINC000737147530 599537370 /nfs/dbraw/zinc/53/73/70/599537370.db2.gz MMRJDBYVNSRMEB-AWEZNQCLSA-N -1 3 372.432 3.417 20 0 FGADHM Cc1cc(C)n([C@@H]2CCCN(c3cc(Cl)ccc3-c3nnn[n-]3)C2)n1 ZINC000822197953 599538751 /nfs/dbraw/zinc/53/87/51/599538751.db2.gz WCGBRFYQTQYAFX-CQSZACIVSA-N -1 3 357.849 3.175 20 0 FGADHM Cc1cc(C)n([C@@H]2CCCN(c3cc(Cl)ccc3-c3nn[n-]n3)C2)n1 ZINC000822197953 599538752 /nfs/dbraw/zinc/53/87/52/599538752.db2.gz WCGBRFYQTQYAFX-CQSZACIVSA-N -1 3 357.849 3.175 20 0 FGADHM Cc1cc(C)n([C@@H]2CCCN(c3cc(-c4nnn[n-]4)c4ccccc4n3)C2)n1 ZINC000822197718 599539345 /nfs/dbraw/zinc/53/93/45/599539345.db2.gz MLBAWJNMAMELIL-OAHLLOKOSA-N -1 3 374.452 3.070 20 0 FGADHM Cc1cc(C)n([C@@H]2CCCN(c3cc(-c4nn[n-]n4)c4ccccc4n3)C2)n1 ZINC000822197718 599539347 /nfs/dbraw/zinc/53/93/47/599539347.db2.gz MLBAWJNMAMELIL-OAHLLOKOSA-N -1 3 374.452 3.070 20 0 FGADHM COc1ccc(C[C@H](C)Nc2ccc(F)cc2-c2nnn[n-]2)cc1OC ZINC000821787674 599541975 /nfs/dbraw/zinc/54/19/75/599541975.db2.gz XNRFRMFXLJBNFH-NSHDSACASA-N -1 3 357.389 3.066 20 0 FGADHM COc1ccc(C[C@H](C)Nc2ccc(F)cc2-c2nn[n-]n2)cc1OC ZINC000821787674 599541978 /nfs/dbraw/zinc/54/19/78/599541978.db2.gz XNRFRMFXLJBNFH-NSHDSACASA-N -1 3 357.389 3.066 20 0 FGADHM C[C@@H](SCc1ccccc1)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820549121 599542563 /nfs/dbraw/zinc/54/25/63/599542563.db2.gz KMUYFYBRBAVVFL-UONOGXRCSA-N -1 3 367.478 3.366 20 0 FGADHM C[C@@H](SCc1ccccc1)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820549121 599542565 /nfs/dbraw/zinc/54/25/65/599542565.db2.gz KMUYFYBRBAVVFL-UONOGXRCSA-N -1 3 367.478 3.366 20 0 FGADHM Fc1ccc(F)c2c1ncc(-c1nnn[n-]1)c2N1Cc2ccccc2C1 ZINC000822774491 599543010 /nfs/dbraw/zinc/54/30/10/599543010.db2.gz KKLXKCCXKZNXDX-UHFFFAOYSA-N -1 3 350.332 3.213 20 0 FGADHM Fc1ccc(F)c2c1ncc(-c1nn[n-]n1)c2N1Cc2ccccc2C1 ZINC000822774491 599543011 /nfs/dbraw/zinc/54/30/11/599543011.db2.gz KKLXKCCXKZNXDX-UHFFFAOYSA-N -1 3 350.332 3.213 20 0 FGADHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(N3CCC(OC(C)C)CC3)c2c1 ZINC000822195593 599544692 /nfs/dbraw/zinc/54/46/92/599544692.db2.gz XPHFVQYESJDJGG-UHFFFAOYSA-N -1 3 366.469 3.426 20 0 FGADHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(N3CCC(OC(C)C)CC3)c2c1 ZINC000822195593 599544694 /nfs/dbraw/zinc/54/46/94/599544694.db2.gz XPHFVQYESJDJGG-UHFFFAOYSA-N -1 3 366.469 3.426 20 0 FGADHM Cc1onc(-c2ccccc2)c1C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822553858 599545019 /nfs/dbraw/zinc/54/50/19/599545019.db2.gz RYUTXELLBVJMCJ-GFCCVEGCSA-N -1 3 374.404 3.321 20 0 FGADHM Cc1onc(-c2ccccc2)c1C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822553858 599545020 /nfs/dbraw/zinc/54/50/20/599545020.db2.gz RYUTXELLBVJMCJ-GFCCVEGCSA-N -1 3 374.404 3.321 20 0 FGADHM Fc1ccc(F)c2c1ncc(-c1nnn[n-]1)c2N1CC[C@@H](c2ccco2)C1 ZINC000822775511 599548498 /nfs/dbraw/zinc/54/84/98/599548498.db2.gz XOONCFHHVIONRR-SNVBAGLBSA-N -1 3 368.347 3.280 20 0 FGADHM Fc1ccc(F)c2c1ncc(-c1nn[n-]n1)c2N1CC[C@@H](c2ccco2)C1 ZINC000822775511 599548499 /nfs/dbraw/zinc/54/84/99/599548499.db2.gz XOONCFHHVIONRR-SNVBAGLBSA-N -1 3 368.347 3.280 20 0 FGADHM O=C(Nc1cccnc1)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738199373 599563644 /nfs/dbraw/zinc/56/36/44/599563644.db2.gz YTMHOVWCYCMDIG-UHFFFAOYSA-N -1 3 357.377 3.258 20 0 FGADHM Cc1ccc(C[C@H](C)Nc2c(-c3nnn[n-]3)cnc3ccccc32)s1 ZINC000822234644 599563868 /nfs/dbraw/zinc/56/38/68/599563868.db2.gz CBQJSHOPAYPKOH-NSHDSACASA-N -1 3 350.451 3.250 20 0 FGADHM Cc1ccc(C[C@H](C)Nc2c(-c3nn[n-]n3)cnc3ccccc32)s1 ZINC000822234644 599563869 /nfs/dbraw/zinc/56/38/69/599563869.db2.gz CBQJSHOPAYPKOH-NSHDSACASA-N -1 3 350.451 3.250 20 0 FGADHM Cc1ccc(N2CC[C@H](Nc3ccc(-c4nnn[n-]4)c(Cl)c3)C2=O)cc1 ZINC000822240952 599589007 /nfs/dbraw/zinc/58/90/07/599589007.db2.gz GIWSGMIOKZZPRU-INIZCTEOSA-N -1 3 368.828 3.046 20 0 FGADHM Cc1ccc(N2CC[C@H](Nc3ccc(-c4nn[n-]n4)c(Cl)c3)C2=O)cc1 ZINC000822240952 599589009 /nfs/dbraw/zinc/58/90/09/599589009.db2.gz GIWSGMIOKZZPRU-INIZCTEOSA-N -1 3 368.828 3.046 20 0 FGADHM Cc1cccc(C)c1CSCC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000737388042 599598639 /nfs/dbraw/zinc/59/86/39/599598639.db2.gz AFKYLKCJMFHDOS-UHFFFAOYSA-N -1 3 367.478 3.033 20 0 FGADHM Cc1cccc(C)c1CSCC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000737388042 599598641 /nfs/dbraw/zinc/59/86/41/599598641.db2.gz AFKYLKCJMFHDOS-UHFFFAOYSA-N -1 3 367.478 3.033 20 0 FGADHM CC[C@H](c1ccc(F)cc1)S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000736391270 599608666 /nfs/dbraw/zinc/60/86/66/599608666.db2.gz MBQYYSDHDVFRBR-MRXNPFEDSA-N -1 3 360.414 3.072 20 0 FGADHM CC[C@H](c1ccc(F)cc1)S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000736391270 599608671 /nfs/dbraw/zinc/60/86/71/599608671.db2.gz MBQYYSDHDVFRBR-MRXNPFEDSA-N -1 3 360.414 3.072 20 0 FGADHM CC[C@@H](NC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1nccs1 ZINC000736360238 599608799 /nfs/dbraw/zinc/60/87/99/599608799.db2.gz AOQFHQPVVZWGMQ-LLVKDONJSA-N -1 3 363.834 3.249 20 0 FGADHM CC[C@@H](NC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1nccs1 ZINC000736360238 599608801 /nfs/dbraw/zinc/60/88/01/599608801.db2.gz AOQFHQPVVZWGMQ-LLVKDONJSA-N -1 3 363.834 3.249 20 0 FGADHM Cc1ccc([C@H](C)CNC(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737318370 599614715 /nfs/dbraw/zinc/61/47/15/599614715.db2.gz AGFIOVYNQSAVDF-OAHLLOKOSA-N -1 3 364.453 3.120 20 0 FGADHM Cc1ccc([C@H](C)CNC(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737318370 599614717 /nfs/dbraw/zinc/61/47/17/599614717.db2.gz AGFIOVYNQSAVDF-OAHLLOKOSA-N -1 3 364.453 3.120 20 0 FGADHM CC(C)(C)c1ncc(C=CC(=O)OCc2cccc(-c3nnn[n-]3)c2)s1 ZINC000819965363 599622796 /nfs/dbraw/zinc/62/27/96/599622796.db2.gz CWLCFYGDYCKYGQ-FPLPWBNLSA-N -1 3 369.450 3.377 20 0 FGADHM CC(C)(C)c1ncc(C=CC(=O)OCc2cccc(-c3nn[n-]n3)c2)s1 ZINC000819965363 599622797 /nfs/dbraw/zinc/62/27/97/599622797.db2.gz CWLCFYGDYCKYGQ-FPLPWBNLSA-N -1 3 369.450 3.377 20 0 FGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1)[C@@H]1SCCc2sccc21 ZINC000823431546 599624427 /nfs/dbraw/zinc/62/44/27/599624427.db2.gz RAFPVOSZYKAYPC-CQSZACIVSA-N -1 3 358.448 3.002 20 0 FGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1)[C@@H]1SCCc2sccc21 ZINC000823431546 599624428 /nfs/dbraw/zinc/62/44/28/599624428.db2.gz RAFPVOSZYKAYPC-CQSZACIVSA-N -1 3 358.448 3.002 20 0 FGADHM CC[C@H](Cc1ccc(C)cc1)OC(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000820913497 599625808 /nfs/dbraw/zinc/62/58/08/599625808.db2.gz HBDJSSCGYVNDOY-QGZVFWFLSA-N -1 3 366.421 3.118 20 0 FGADHM CC[C@H](Cc1ccc(C)cc1)OC(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000820913497 599625809 /nfs/dbraw/zinc/62/58/09/599625809.db2.gz HBDJSSCGYVNDOY-QGZVFWFLSA-N -1 3 366.421 3.118 20 0 FGADHM O=C(CCC(F)(F)F)Nc1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000822949994 599629121 /nfs/dbraw/zinc/62/91/21/599629121.db2.gz BJJDVCFVEJPCHU-UHFFFAOYSA-N -1 3 368.344 3.271 20 0 FGADHM O=C(CCC(F)(F)F)Nc1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000822949994 599629122 /nfs/dbraw/zinc/62/91/22/599629122.db2.gz BJJDVCFVEJPCHU-UHFFFAOYSA-N -1 3 368.344 3.271 20 0 FGADHM O=C(Nc1cc(-c2ccccc2)ns1)c1sccc1-c1nnn[n-]1 ZINC000823289725 599631683 /nfs/dbraw/zinc/63/16/83/599631683.db2.gz NKPDOADWPKUWLH-UHFFFAOYSA-N -1 3 354.420 3.304 20 0 FGADHM O=C(Nc1cc(-c2ccccc2)ns1)c1sccc1-c1nn[n-]n1 ZINC000823289725 599631684 /nfs/dbraw/zinc/63/16/84/599631684.db2.gz NKPDOADWPKUWLH-UHFFFAOYSA-N -1 3 354.420 3.304 20 0 FGADHM C[C@@H](CCOc1ccccc1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820248914 599649339 /nfs/dbraw/zinc/64/93/39/599649339.db2.gz PANOSWUVZIPGCK-LBPRGKRZSA-N -1 3 355.373 3.050 20 0 FGADHM C[C@@H](CCOc1ccccc1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820248914 599649340 /nfs/dbraw/zinc/64/93/40/599649340.db2.gz PANOSWUVZIPGCK-LBPRGKRZSA-N -1 3 355.373 3.050 20 0 FGADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)OCCSc1ccc(Cl)cc1 ZINC000823078187 599659483 /nfs/dbraw/zinc/65/94/83/599659483.db2.gz HRYNNCISDBWVNQ-UHFFFAOYSA-N -1 3 374.853 3.398 20 0 FGADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)OCCSc1ccc(Cl)cc1 ZINC000823078187 599659482 /nfs/dbraw/zinc/65/94/82/599659482.db2.gz HRYNNCISDBWVNQ-UHFFFAOYSA-N -1 3 374.853 3.398 20 0 FGADHM C[C@H](OC(=O)C1CCCCCCC1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000820488176 599662975 /nfs/dbraw/zinc/66/29/75/599662975.db2.gz LZFPSDDTRCXKAJ-ZDUSSCGKSA-N -1 3 371.441 3.097 20 0 FGADHM C[C@H](OC(=O)C1CCCCCCC1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000820488176 599662976 /nfs/dbraw/zinc/66/29/76/599662976.db2.gz LZFPSDDTRCXKAJ-ZDUSSCGKSA-N -1 3 371.441 3.097 20 0 FGADHM C[C@@H](C(=O)OCc1cn2ccccc2c1-c1nnn[n-]1)c1cccc(F)c1 ZINC000819883770 599666587 /nfs/dbraw/zinc/66/65/87/599666587.db2.gz MUMMOJBBDKKHGL-GFCCVEGCSA-N -1 3 365.368 3.105 20 0 FGADHM C[C@@H](C(=O)OCc1cn2ccccc2c1-c1nn[n-]n1)c1cccc(F)c1 ZINC000819883770 599666588 /nfs/dbraw/zinc/66/65/88/599666588.db2.gz MUMMOJBBDKKHGL-GFCCVEGCSA-N -1 3 365.368 3.105 20 0 FGADHM CO[C@@H](CNc1cc(C)c(-c2nnn[n-]2)c2nc3ccccc3n21)C(C)C ZINC000821677327 599687324 /nfs/dbraw/zinc/68/73/24/599687324.db2.gz UNAOOPUHVUCZHX-HNNXBMFYSA-N -1 3 365.441 3.059 20 0 FGADHM CO[C@@H](CNc1cc(C)c(-c2nn[n-]n2)c2nc3ccccc3n21)C(C)C ZINC000821677327 599687325 /nfs/dbraw/zinc/68/73/25/599687325.db2.gz UNAOOPUHVUCZHX-HNNXBMFYSA-N -1 3 365.441 3.059 20 0 FGADHM CCC(CC)(CCO)CNc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000820887552 599688136 /nfs/dbraw/zinc/68/81/36/599688136.db2.gz GFSNVHDKOCIJGO-UHFFFAOYSA-N -1 3 357.380 3.486 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccncc1Cl ZINC000823303242 599689996 /nfs/dbraw/zinc/68/99/96/599689996.db2.gz DXEHBHZHXAJOFC-UHFFFAOYSA-N -1 3 368.706 3.186 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccncc1Cl ZINC000823303242 599689997 /nfs/dbraw/zinc/68/99/97/599689997.db2.gz DXEHBHZHXAJOFC-UHFFFAOYSA-N -1 3 368.706 3.186 20 0 FGADHM Cc1cccc(NC(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)c1Cl ZINC000822324127 599694029 /nfs/dbraw/zinc/69/40/29/599694029.db2.gz WAZVXFYLKJLBLX-UHFFFAOYSA-N -1 3 356.817 3.492 20 0 FGADHM Cc1cccc(NC(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)c1Cl ZINC000822324127 599694030 /nfs/dbraw/zinc/69/40/30/599694030.db2.gz WAZVXFYLKJLBLX-UHFFFAOYSA-N -1 3 356.817 3.492 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C[C@H](C)C(=O)c1cccc(F)c1 ZINC000822216587 599699318 /nfs/dbraw/zinc/69/93/18/599699318.db2.gz TWRDPKBAZWDYNJ-LBPRGKRZSA-N -1 3 367.384 3.162 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C[C@H](C)C(=O)c1cccc(F)c1 ZINC000822216587 599699319 /nfs/dbraw/zinc/69/93/19/599699319.db2.gz TWRDPKBAZWDYNJ-LBPRGKRZSA-N -1 3 367.384 3.162 20 0 FGADHM Cc1ccsc1[C@H]1C[C@@H]1C(=O)OCc1ccc(-c2nnn[n-]2)cc1F ZINC000826316796 607391695 /nfs/dbraw/zinc/39/16/95/607391695.db2.gz YUMSRHHNCHCNIU-STQMWFEESA-N -1 3 358.398 3.223 20 0 FGADHM Cc1ccsc1[C@H]1C[C@@H]1C(=O)OCc1ccc(-c2nn[n-]n2)cc1F ZINC000826316796 607391697 /nfs/dbraw/zinc/39/16/97/607391697.db2.gz YUMSRHHNCHCNIU-STQMWFEESA-N -1 3 358.398 3.223 20 0 FGADHM C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2ccccc2NC(=O)[O-])C1 ZINC000736724761 599709121 /nfs/dbraw/zinc/70/91/21/599709121.db2.gz OXXBDOLFFFJFEZ-ZBFHGGJFSA-N -1 3 353.422 3.342 20 0 FGADHM COc1ccc(COC(=O)[C@@H]2C[C@H]2c2sccc2C)cc1-c1nnn[n-]1 ZINC000826205392 607390536 /nfs/dbraw/zinc/39/05/36/607390536.db2.gz UYYGTMZPHQAXNV-CHWSQXEVSA-N -1 3 370.434 3.092 20 0 FGADHM COc1ccc(COC(=O)[C@@H]2C[C@H]2c2sccc2C)cc1-c1nn[n-]n1 ZINC000826205392 607390537 /nfs/dbraw/zinc/39/05/37/607390537.db2.gz UYYGTMZPHQAXNV-CHWSQXEVSA-N -1 3 370.434 3.092 20 0 FGADHM CCCN(Cc1occc1C(=O)[O-])[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000737020027 599794255 /nfs/dbraw/zinc/79/42/55/599794255.db2.gz DCVXJUDHJWGFTM-ZDUSSCGKSA-N -1 3 352.431 3.199 20 0 FGADHM CC(C)Oc1ccc(NC(=O)c2ccc(C(C)C)nc2)cc1-c1nnn[n-]1 ZINC000820169224 607397228 /nfs/dbraw/zinc/39/72/28/607397228.db2.gz IQRQTOBPMKPBBU-UHFFFAOYSA-N -1 3 366.425 3.425 20 0 FGADHM CC(C)Oc1ccc(NC(=O)c2ccc(C(C)C)nc2)cc1-c1nn[n-]n1 ZINC000820169224 607397230 /nfs/dbraw/zinc/39/72/30/607397230.db2.gz IQRQTOBPMKPBBU-UHFFFAOYSA-N -1 3 366.425 3.425 20 0 FGADHM Cc1cc(F)ccc1C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000822206144 607402607 /nfs/dbraw/zinc/40/26/07/607402607.db2.gz VUNWTCCABXPRGN-UHFFFAOYSA-N -1 3 355.373 3.354 20 0 FGADHM Cc1cc(F)ccc1C(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000822206144 607402608 /nfs/dbraw/zinc/40/26/08/607402608.db2.gz VUNWTCCABXPRGN-UHFFFAOYSA-N -1 3 355.373 3.354 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)O[C@@H](c1ccccn1)C(F)(F)F ZINC000826251479 607403061 /nfs/dbraw/zinc/40/30/61/607403061.db2.gz QVSQFBCATPZZED-ZDUSSCGKSA-N -1 3 363.299 3.031 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)O[C@@H](c1ccccn1)C(F)(F)F ZINC000826251479 607403062 /nfs/dbraw/zinc/40/30/62/607403062.db2.gz QVSQFBCATPZZED-ZDUSSCGKSA-N -1 3 363.299 3.031 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)C/C=C\c1ccc(F)cc1 ZINC000826253236 607408136 /nfs/dbraw/zinc/40/81/36/607408136.db2.gz JEQKIOFJYNGWNX-IHWYPQMZSA-N -1 3 352.369 3.461 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)C/C=C\c1ccc(F)cc1 ZINC000826253236 607408138 /nfs/dbraw/zinc/40/81/38/607408138.db2.gz JEQKIOFJYNGWNX-IHWYPQMZSA-N -1 3 352.369 3.461 20 0 FGADHM Cc1ccsc1[C@@H]1C[C@H]1C(=O)OCc1ccc(-c2nnn[n-]2)cc1C ZINC000826253164 607408196 /nfs/dbraw/zinc/40/81/96/607408196.db2.gz HDJWBOSSGYQQNQ-HUUCEWRRSA-N -1 3 354.435 3.392 20 0 FGADHM Cc1ccsc1[C@@H]1C[C@H]1C(=O)OCc1ccc(-c2nn[n-]n2)cc1C ZINC000826253164 607408198 /nfs/dbraw/zinc/40/81/98/607408198.db2.gz HDJWBOSSGYQQNQ-HUUCEWRRSA-N -1 3 354.435 3.392 20 0 FGADHM C[C@H](CN(CC(=O)N[C@@H](C)c1ccc2ccccc2c1)C1CC1)C(=O)[O-] ZINC000736577336 599951211 /nfs/dbraw/zinc/95/12/11/599951211.db2.gz ANTXCTQAELZYFL-CABCVRRESA-N -1 3 354.450 3.202 20 0 FGADHM CCc1c(C(=O)OCc2ccc(-c3nnn[n-]3)cc2C)cnn1C(C)(C)C ZINC000825687604 607410757 /nfs/dbraw/zinc/41/07/57/607410757.db2.gz JZQJCLQRWXFQAU-UHFFFAOYSA-N -1 3 368.441 3.046 20 0 FGADHM CCc1c(C(=O)OCc2ccc(-c3nn[n-]n3)cc2C)cnn1C(C)(C)C ZINC000825687604 607410759 /nfs/dbraw/zinc/41/07/59/607410759.db2.gz JZQJCLQRWXFQAU-UHFFFAOYSA-N -1 3 368.441 3.046 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)/C=C/SCc1ccco1 ZINC000826253034 607411023 /nfs/dbraw/zinc/41/10/23/607411023.db2.gz CXDHDNHHFZEQOO-SOFGYWHQSA-N -1 3 356.407 3.258 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)/C=C/SCc1ccco1 ZINC000826253034 607411025 /nfs/dbraw/zinc/41/10/25/607411025.db2.gz CXDHDNHHFZEQOO-SOFGYWHQSA-N -1 3 356.407 3.258 20 0 FGADHM CN(C(=O)CN1CCC[C@@H](Cc2ccccc2)C1)c1ccccc1C(=O)[O-] ZINC000737324307 599993081 /nfs/dbraw/zinc/99/30/81/599993081.db2.gz OBBXMYVRLYQUNG-SFHVURJKSA-N -1 3 366.461 3.302 20 0 FGADHM CC(=O)N1CCCCC[C@H]1C1CCN(Cc2cc(C)c(C(=O)[O-])o2)CC1 ZINC000736135722 599994569 /nfs/dbraw/zinc/99/45/69/599994569.db2.gz SSTFPOZZJAYTFI-SFHVURJKSA-N -1 3 362.470 3.289 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)c1csc(-c2ccoc2)n1 ZINC000826254508 607411843 /nfs/dbraw/zinc/41/18/43/607411843.db2.gz OWDUKYAEBCDEDX-UHFFFAOYSA-N -1 3 367.390 3.249 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)c1csc(-c2ccoc2)n1 ZINC000826254508 607411845 /nfs/dbraw/zinc/41/18/45/607411845.db2.gz OWDUKYAEBCDEDX-UHFFFAOYSA-N -1 3 367.390 3.249 20 0 FGADHM Cc1ccc([C@H](CNC(=O)Nc2ccc(C(=O)[O-])c(C)c2)N(C)C)cc1 ZINC000738558094 600015325 /nfs/dbraw/zinc/01/53/25/600015325.db2.gz AYBWCRRKJXRBGJ-SFHVURJKSA-N -1 3 355.438 3.426 20 0 FGADHM Cc1c2cc(C)ccc2[nH]c1C(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826293698 607417709 /nfs/dbraw/zinc/41/77/09/607417709.db2.gz YQTKCKOXXKHNLL-UHFFFAOYSA-N -1 3 372.432 3.384 20 0 FGADHM Cc1c2cc(C)ccc2[nH]c1C(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826293698 607417710 /nfs/dbraw/zinc/41/77/10/607417710.db2.gz YQTKCKOXXKHNLL-UHFFFAOYSA-N -1 3 372.432 3.384 20 0 FGADHM Cc1ccc(CCCC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC000826287471 607417872 /nfs/dbraw/zinc/41/78/72/607417872.db2.gz PZOJDWGWIWQAOA-UHFFFAOYSA-N -1 3 361.449 3.303 20 0 FGADHM Cc1ccc(CCCC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000826287471 607417873 /nfs/dbraw/zinc/41/78/73/607417873.db2.gz PZOJDWGWIWQAOA-UHFFFAOYSA-N -1 3 361.449 3.303 20 0 FGADHM CC(C)=C[C@@H]1[C@H](C(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)C1(C)C ZINC000824177368 607419152 /nfs/dbraw/zinc/41/91/52/607419152.db2.gz HOPRNFLFFLTASO-HZPDHXFCSA-N -1 3 351.454 3.210 20 0 FGADHM CC(C)=C[C@@H]1[C@H](C(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)C1(C)C ZINC000824177368 607419154 /nfs/dbraw/zinc/41/91/54/607419154.db2.gz HOPRNFLFFLTASO-HZPDHXFCSA-N -1 3 351.454 3.210 20 0 FGADHM O=C(NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1cc2cccc(F)c2o1 ZINC000826428168 607422739 /nfs/dbraw/zinc/42/27/39/607422739.db2.gz QYRZJCWBVAGHJU-UHFFFAOYSA-N -1 3 363.352 3.171 20 0 FGADHM O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1cc2cccc(F)c2o1 ZINC000826428168 607422740 /nfs/dbraw/zinc/42/27/40/607422740.db2.gz QYRZJCWBVAGHJU-UHFFFAOYSA-N -1 3 363.352 3.171 20 0 FGADHM Cc1cc(C(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)c(Cl)cc1F ZINC000826258652 607426166 /nfs/dbraw/zinc/42/61/66/607426166.db2.gz RALXJPMNDIRFDZ-UHFFFAOYSA-N -1 3 371.803 3.387 20 0 FGADHM Cc1cc(C(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)c(Cl)cc1F ZINC000826258652 607426168 /nfs/dbraw/zinc/42/61/68/607426168.db2.gz RALXJPMNDIRFDZ-UHFFFAOYSA-N -1 3 371.803 3.387 20 0 FGADHM CC(C)Oc1ccc(NC(=O)N2CCCC(C)(C)C2)cc1-c1nnn[n-]1 ZINC000820164040 607429103 /nfs/dbraw/zinc/42/91/03/607429103.db2.gz BDJRLDANVYOJMX-UHFFFAOYSA-N -1 3 358.446 3.308 20 0 FGADHM CC(C)Oc1ccc(NC(=O)N2CCCC(C)(C)C2)cc1-c1nn[n-]n1 ZINC000820164040 607429104 /nfs/dbraw/zinc/42/91/04/607429104.db2.gz BDJRLDANVYOJMX-UHFFFAOYSA-N -1 3 358.446 3.308 20 0 FGADHM CC(C)N(CCC(=O)[O-])CC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000736466174 600222855 /nfs/dbraw/zinc/22/28/55/600222855.db2.gz QDZOZKUFTFPOCQ-LJQANCHMSA-N -1 3 360.479 3.139 20 0 FGADHM COc1ccc(N(C(=O)c2ccc(-c3nnn[n-]3)cc2C)C(C)C)cc1F ZINC000826208858 607431709 /nfs/dbraw/zinc/43/17/09/607431709.db2.gz CPCPTZBXNPBJAT-UHFFFAOYSA-N -1 3 369.400 3.378 20 0 FGADHM COc1ccc(N(C(=O)c2ccc(-c3nn[n-]n3)cc2C)C(C)C)cc1F ZINC000826208858 607431710 /nfs/dbraw/zinc/43/17/10/607431710.db2.gz CPCPTZBXNPBJAT-UHFFFAOYSA-N -1 3 369.400 3.378 20 0 FGADHM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000826316720 607432482 /nfs/dbraw/zinc/43/24/82/607432482.db2.gz WTYKNAUOAXASSK-NEPJUHHUSA-N -1 3 357.414 3.142 20 0 FGADHM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000826316720 607432483 /nfs/dbraw/zinc/43/24/83/607432483.db2.gz WTYKNAUOAXASSK-NEPJUHHUSA-N -1 3 357.414 3.142 20 0 FGADHM Cc1c(Br)cccc1C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826234063 607434638 /nfs/dbraw/zinc/43/46/38/607434638.db2.gz GZUSTRKQBLMIKK-UHFFFAOYSA-N -1 3 372.226 3.214 20 0 FGADHM Cc1c(Br)cccc1C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826234063 607434640 /nfs/dbraw/zinc/43/46/40/607434640.db2.gz GZUSTRKQBLMIKK-UHFFFAOYSA-N -1 3 372.226 3.214 20 0 FGADHM C[C@@H](CSc1ccc(F)cc1)C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000824447658 607436609 /nfs/dbraw/zinc/43/66/09/607436609.db2.gz ABIWEBMRMORLFO-LBPRGKRZSA-N -1 3 371.441 3.397 20 0 FGADHM C[C@@H](CSc1ccc(F)cc1)C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000824447658 607436611 /nfs/dbraw/zinc/43/66/11/607436611.db2.gz ABIWEBMRMORLFO-LBPRGKRZSA-N -1 3 371.441 3.397 20 0 FGADHM CN(C)C[C@H](NC(=O)Nc1ccc(CN(C)C(=O)[O-])cc1)c1ccccc1 ZINC000737360185 600348143 /nfs/dbraw/zinc/34/81/43/600348143.db2.gz JBVPRRAGXHDSCU-SFHVURJKSA-N -1 3 370.453 3.221 20 0 FGADHM C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)Nc2ccc(C(=O)[O-])cc2F)C1 ZINC000736723988 600398396 /nfs/dbraw/zinc/39/83/96/600398396.db2.gz HYWBAPBOEORXFW-XJKSGUPXSA-N -1 3 371.412 3.481 20 0 FGADHM O=C([O-])Nc1ccc(CCNC(=O)c2cccc(CN3CCCC3)c2)cc1 ZINC000740020787 600412694 /nfs/dbraw/zinc/41/26/94/600412694.db2.gz UNKTWISITNINEV-UHFFFAOYSA-N -1 3 367.449 3.345 20 0 FGADHM CC(=O)c1ccc(Cl)c(NC(=O)c2ccc(-c3nnn[n-]3)cc2C)c1 ZINC000824024595 607442968 /nfs/dbraw/zinc/44/29/68/607442968.db2.gz LGVPSIWUENMNGU-UHFFFAOYSA-N -1 3 355.785 3.283 20 0 FGADHM CC(=O)c1ccc(Cl)c(NC(=O)c2ccc(-c3nn[n-]n3)cc2C)c1 ZINC000824024595 607442971 /nfs/dbraw/zinc/44/29/71/607442971.db2.gz LGVPSIWUENMNGU-UHFFFAOYSA-N -1 3 355.785 3.283 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1C[C@H](C)Sc2ccccc21 ZINC000826243988 607443878 /nfs/dbraw/zinc/44/38/78/607443878.db2.gz CQBOVSFQUDCBTB-LBPRGKRZSA-N -1 3 351.435 3.316 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1C[C@H](C)Sc2ccccc21 ZINC000826243988 607443881 /nfs/dbraw/zinc/44/38/81/607443881.db2.gz CQBOVSFQUDCBTB-LBPRGKRZSA-N -1 3 351.435 3.316 20 0 FGADHM CC[C@@H](CSc1ccccc1)NC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000825128682 607772412 /nfs/dbraw/zinc/77/24/12/607772412.db2.gz XYFXSNLTISWDEX-INIZCTEOSA-N -1 3 367.478 3.096 20 0 FGADHM CC[C@@H](CSc1ccccc1)NC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000825128682 607772413 /nfs/dbraw/zinc/77/24/13/607772413.db2.gz XYFXSNLTISWDEX-INIZCTEOSA-N -1 3 367.478 3.096 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)c1cc(F)c(F)c(F)c1F ZINC000826253915 607445777 /nfs/dbraw/zinc/44/57/77/607445777.db2.gz KXXMKEPYENROTE-UHFFFAOYSA-N -1 3 366.274 3.089 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)c1cc(F)c(F)c(F)c1F ZINC000826253915 607445779 /nfs/dbraw/zinc/44/57/79/607445779.db2.gz KXXMKEPYENROTE-UHFFFAOYSA-N -1 3 366.274 3.089 20 0 FGADHM CC(C)(C)CCCCNC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000824087297 607455011 /nfs/dbraw/zinc/45/50/11/607455011.db2.gz SLQGYEBKLJLMTK-UHFFFAOYSA-N -1 3 356.474 3.371 20 0 FGADHM CC(C)(C)CCCCNC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000824087297 607455012 /nfs/dbraw/zinc/45/50/12/607455012.db2.gz SLQGYEBKLJLMTK-UHFFFAOYSA-N -1 3 356.474 3.371 20 0 FGADHM CC[C@@H](NC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1ccccc1 ZINC000825134806 607455292 /nfs/dbraw/zinc/45/52/92/607455292.db2.gz WYBWKXDSPPVSOK-QGZVFWFLSA-N -1 3 362.437 3.306 20 0 FGADHM CC[C@@H](NC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1ccccc1 ZINC000825134806 607455294 /nfs/dbraw/zinc/45/52/94/607455294.db2.gz WYBWKXDSPPVSOK-QGZVFWFLSA-N -1 3 362.437 3.306 20 0 FGADHM C[C@H](NC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)C1CCCCC1 ZINC000824498369 607457033 /nfs/dbraw/zinc/45/70/33/607457033.db2.gz FTDLXFSVHRLFBF-ZDUSSCGKSA-N -1 3 354.458 3.124 20 0 FGADHM C[C@H](NC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1)C1CCCCC1 ZINC000824498369 607457034 /nfs/dbraw/zinc/45/70/34/607457034.db2.gz FTDLXFSVHRLFBF-ZDUSSCGKSA-N -1 3 354.458 3.124 20 0 FGADHM CN(C)CCN(Cc1cccc(Cl)c1)C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000737370733 600662711 /nfs/dbraw/zinc/66/27/11/600662711.db2.gz RNZCLJAJKZWHJB-JKSUJKDBSA-N -1 3 366.889 3.121 20 0 FGADHM O[C@H](C[C@H]1CCCN1c1cccc(F)c1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000823674085 607468958 /nfs/dbraw/zinc/46/89/58/607468958.db2.gz PZJWJMCTFLOQLO-RHSMWYFYSA-N -1 3 371.391 3.237 20 0 FGADHM O[C@H](C[C@H]1CCCN1c1cccc(F)c1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000823674085 607468959 /nfs/dbraw/zinc/46/89/59/607468959.db2.gz PZJWJMCTFLOQLO-RHSMWYFYSA-N -1 3 371.391 3.237 20 0 FGADHM CCCC(=O)Nc1cccc(CNCc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000821009536 607473954 /nfs/dbraw/zinc/47/39/54/607473954.db2.gz VBPSDEGOQWTZGD-UHFFFAOYSA-N -1 3 368.416 3.034 20 0 FGADHM C[C@@H]1C[C@@H](Nc2nc(Cl)c(C(=O)[O-])s2)CCN1Cc1ccccc1 ZINC000379636650 601213530 /nfs/dbraw/zinc/21/35/30/601213530.db2.gz QFENFKHROSSZBX-YPMHNXCESA-N -1 3 365.886 3.382 20 0 FGADHM C[C@H]1[C@@H](c2ccccc2)CCN1CC(=O)N(C)c1ccccc1C(=O)[O-] ZINC000828151000 601359834 /nfs/dbraw/zinc/35/98/34/601359834.db2.gz SSSDYAPKIBPZDA-RDJZCZTQSA-N -1 3 352.434 3.226 20 0 FGADHM CCc1oc(C(=O)[O-])cc1CN1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000830368855 601416941 /nfs/dbraw/zinc/41/69/41/601416941.db2.gz DWEICKSKNBEAJZ-ZDUSSCGKSA-N -1 3 366.458 3.229 20 0 FGADHM CCc1oc(C(=O)[O-])cc1CN1CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000830369151 601420576 /nfs/dbraw/zinc/42/05/76/601420576.db2.gz KMYLRGMYERSHPQ-OCCSQVGLSA-N -1 3 366.458 3.275 20 0 FGADHM O=C([O-])[C@@H](c1ccccc1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000833173888 601458216 /nfs/dbraw/zinc/45/82/16/601458216.db2.gz XPBMZVRXPFZZEC-GOSISDBHSA-N -1 3 351.406 3.205 20 0 FGADHM C[C@@H](C(=O)[O-])[C@H](NC(=O)Nc1cccc(CN(C)C)c1)c1ccccc1 ZINC000826038266 601603427 /nfs/dbraw/zinc/60/34/27/601603427.db2.gz DZBXHOXKBFKJJT-KDOFPFPSSA-N -1 3 355.438 3.332 20 0 FGADHM Cc1sc(C(=O)[O-])cc1CN1CCC[C@H](C(=O)Nc2ccccn2)C1 ZINC000833033261 601620586 /nfs/dbraw/zinc/62/05/86/601620586.db2.gz XLHNIORETOZZSO-ZDUSSCGKSA-N -1 3 359.451 3.000 20 0 FGADHM C[C@@H](C(=O)[O-])[C@H](NCC(=O)Nc1ccc2c(c1)CCC2)c1ccccc1 ZINC000826054086 601652080 /nfs/dbraw/zinc/65/20/80/601652080.db2.gz KQIXZODVZSTHSQ-VLIAUNLRSA-N -1 3 352.434 3.165 20 0 FGADHM C[C@H](C(=O)[O-])[C@H](NCC(=O)Nc1ccc2c(c1)CCC2)c1ccccc1 ZINC000826054087 601652309 /nfs/dbraw/zinc/65/23/09/601652309.db2.gz KQIXZODVZSTHSQ-XOBRGWDASA-N -1 3 352.434 3.165 20 0 FGADHM C[C@H](C(=O)[O-])[C@@H](NCC(=O)Nc1nc2c(s1)CCCC2)c1ccccc1 ZINC000826053066 601655128 /nfs/dbraw/zinc/65/51/28/601655128.db2.gz ICJGLGAPRJSRMP-YVEFUNNKSA-N -1 3 373.478 3.012 20 0 FGADHM C[C@@H](C(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1)C1CCCC1 ZINC000825994809 601732508 /nfs/dbraw/zinc/73/25/08/601732508.db2.gz KLHVQDCDAWLHAC-IERDGZPVSA-N -1 3 358.482 3.048 20 0 FGADHM O=C([O-])[C@@]1(NC(=O)c2cccc(Cl)c2)CCCN(Cc2ccccc2)C1 ZINC000833128778 601736156 /nfs/dbraw/zinc/73/61/56/601736156.db2.gz MSQKHEDJMYYJIF-HXUWFJFHSA-N -1 3 372.852 3.189 20 0 FGADHM Cc1cccc(NC(=O)[C@@H]2CCCN(Cc3ccsc3C(=O)[O-])C2)n1 ZINC000832970937 601808026 /nfs/dbraw/zinc/80/80/26/601808026.db2.gz OIWACGNLUCTEIE-CQSZACIVSA-N -1 3 359.451 3.000 20 0 FGADHM Cc1nn(-c2ccccc2)c(Cl)c1CNCC1CCN(C(=O)[O-])CC1 ZINC000740244993 602001243 /nfs/dbraw/zinc/00/12/43/602001243.db2.gz XHOFBUMUGUKLAL-UHFFFAOYSA-N -1 3 362.861 3.314 20 0 FGADHM COC(=O)[C@@H]1CC12CCN([C@@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1)CC2 ZINC000831101583 602042050 /nfs/dbraw/zinc/04/20/50/602042050.db2.gz WWIXVLKUPIWGAG-UONOGXRCSA-N -1 3 372.248 3.394 20 0 FGADHM Cc1c(C(=O)OCc2ccc(-c3nnn[n-]3)cc2C)cnn1CCC(C)C ZINC000826254627 607541244 /nfs/dbraw/zinc/54/12/44/607541244.db2.gz UJWAJGPTFDZJFK-UHFFFAOYSA-N -1 3 368.441 3.083 20 0 FGADHM Cc1c(C(=O)OCc2ccc(-c3nn[n-]n3)cc2C)cnn1CCC(C)C ZINC000826254627 607541246 /nfs/dbraw/zinc/54/12/46/607541246.db2.gz UJWAJGPTFDZJFK-UHFFFAOYSA-N -1 3 368.441 3.083 20 0 FGADHM CC[C@H]1CN2CCCC[C@@H]2CN1C(=O)NCCCCCCCC(=O)[O-] ZINC000829160683 602095049 /nfs/dbraw/zinc/09/50/49/602095049.db2.gz JBQUHZPFTIYLNA-DLBZAZTESA-N -1 3 353.507 3.070 20 0 FGADHM CN(C)CCN(C(=O)Nc1ccc(CN(C)C(=O)[O-])cc1)C1CCCC1 ZINC000830604049 602206852 /nfs/dbraw/zinc/20/68/52/602206852.db2.gz DQAGZCGGRDOBDP-UHFFFAOYSA-N -1 3 362.474 3.135 20 0 FGADHM C[C@@H](CCC(=O)OCC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000824402948 607553041 /nfs/dbraw/zinc/55/30/41/607553041.db2.gz ZEOFDKIVPHGHGO-AWEZNQCLSA-N -1 3 364.405 3.177 20 0 FGADHM C[C@@H](CCC(=O)OCC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000824402948 607553043 /nfs/dbraw/zinc/55/30/43/607553043.db2.gz ZEOFDKIVPHGHGO-AWEZNQCLSA-N -1 3 364.405 3.177 20 0 FGADHM CC(C)[C@H](O)CC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000824206189 607557373 /nfs/dbraw/zinc/55/73/73/607557373.db2.gz AXJKGBYWMIMCBS-QGZVFWFLSA-N -1 3 367.409 3.005 20 0 FGADHM CC(C)[C@H](O)CC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000824206189 607557374 /nfs/dbraw/zinc/55/73/74/607557374.db2.gz AXJKGBYWMIMCBS-QGZVFWFLSA-N -1 3 367.409 3.005 20 0 FGADHM COc1ccc(CNc2cc(C)nc3c(F)cccc23)cc1-c1nnn[n-]1 ZINC000826203468 607559298 /nfs/dbraw/zinc/55/92/98/607559298.db2.gz PPKXZHCTMGRRRZ-UHFFFAOYSA-N -1 3 364.384 3.483 20 0 FGADHM COc1ccc(CNc2cc(C)nc3c(F)cccc23)cc1-c1nn[n-]n1 ZINC000826203468 607559299 /nfs/dbraw/zinc/55/92/99/607559299.db2.gz PPKXZHCTMGRRRZ-UHFFFAOYSA-N -1 3 364.384 3.483 20 0 FGADHM O=C([O-])CN(Cc1nc2cc(C(F)(F)F)ccc2c(=O)[nH]1)C1CCCC1 ZINC000833249058 602332988 /nfs/dbraw/zinc/33/29/88/602332988.db2.gz XGOFSUFGERIADL-UHFFFAOYSA-N -1 3 369.343 3.183 20 0 FGADHM O=C(OCC1CC=CC1)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000826463066 607562719 /nfs/dbraw/zinc/56/27/19/607562719.db2.gz RDEKFAWGYSHSCG-UHFFFAOYSA-N -1 3 363.377 3.177 20 0 FGADHM O=C(OCC1CC=CC1)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000826463066 607562720 /nfs/dbraw/zinc/56/27/20/607562720.db2.gz RDEKFAWGYSHSCG-UHFFFAOYSA-N -1 3 363.377 3.177 20 0 FGADHM CN(CC1CCN(Cc2ccc(OCc3ccncc3)cc2)CC1)C(=O)[O-] ZINC000739664469 602381538 /nfs/dbraw/zinc/38/15/38/602381538.db2.gz GHAVYTJFQBDWNM-UHFFFAOYSA-N -1 3 369.465 3.482 20 0 FGADHM CC[C@H](SC)C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000825158985 607577708 /nfs/dbraw/zinc/57/77/08/607577708.db2.gz GJJOOOVAWBSAJG-ZDUSSCGKSA-N -1 3 373.507 3.353 20 0 FGADHM CC[C@@H](C)c1ccc(C(=O)NCc2ccc(OC)c(-c3nnn[n-]3)c2)cc1 ZINC000825074001 607582232 /nfs/dbraw/zinc/58/22/32/607582232.db2.gz CESMJXNPSXHHAY-CYBMUJFWSA-N -1 3 365.437 3.319 20 0 FGADHM CC[C@@H](C)c1ccc(C(=O)NCc2ccc(OC)c(-c3nn[n-]n3)c2)cc1 ZINC000825074001 607582233 /nfs/dbraw/zinc/58/22/33/607582233.db2.gz CESMJXNPSXHHAY-CYBMUJFWSA-N -1 3 365.437 3.319 20 0 FGADHM Cc1ccc(C(=O)Nc2cccc(CN[C@H]3CCN(C(=O)[O-])C3)c2)cc1 ZINC000740108463 602876445 /nfs/dbraw/zinc/87/64/45/602876445.db2.gz XGLJOUHUJJQMKX-SFHVURJKSA-N -1 3 353.422 3.089 20 0 FGADHM Cc1ccc([C@H](CNC(=O)[C@H]2CCC[C@@H](NC(=O)[O-])C2)N2CCCC2)cc1 ZINC000740116769 603250959 /nfs/dbraw/zinc/25/09/59/603250959.db2.gz GCVUUMDLQHPWRS-OTWHNJEPSA-N -1 3 373.497 3.075 20 0 FGADHM C[C@H](C(=O)N[C@H](CN(C)C)c1ccccc1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823677771 603254592 /nfs/dbraw/zinc/25/45/92/603254592.db2.gz NTSFGPUGJRYBSZ-IPELMVKDSA-N -1 3 369.465 3.051 20 0 FGADHM CC1CCC(N2CCN(C(=O)Cc3ccc(NC(=O)[O-])cc3)CC2)CC1 ZINC000739086582 603400185 /nfs/dbraw/zinc/40/01/85/603400185.db2.gz QMGMQGVDHCDCGC-UHFFFAOYSA-N -1 3 359.470 3.042 20 0 FGADHM C[C@@H]1CN(Cc2ccc(OCc3ccncc3)cc2)CC[C@@H]1NC(=O)[O-] ZINC000739195991 603412852 /nfs/dbraw/zinc/41/28/52/603412852.db2.gz ZYLWUMZGJTWXAF-BEFAXECRSA-N -1 3 355.438 3.139 20 0 FGADHM Cc1ccc(C(=O)N(CCN(C)C)Cc2ccc(F)cc2)cc1NC(=O)[O-] ZINC000830188611 603428653 /nfs/dbraw/zinc/42/86/53/603428653.db2.gz YULDTXGWZSYAEO-UHFFFAOYSA-N -1 3 373.428 3.428 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1CN[C@@H](c1ccccc1)C(F)(F)F ZINC000826184023 607643246 /nfs/dbraw/zinc/64/32/46/607643246.db2.gz IGVOTZFHKVHURJ-HNNXBMFYSA-N -1 3 363.343 3.269 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1CN[C@@H](c1ccccc1)C(F)(F)F ZINC000826184023 607643247 /nfs/dbraw/zinc/64/32/47/607643247.db2.gz IGVOTZFHKVHURJ-HNNXBMFYSA-N -1 3 363.343 3.269 20 0 FGADHM O=C(Nc1cccc(O)c1)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000826457170 607646846 /nfs/dbraw/zinc/64/68/46/607646846.db2.gz OHGIUTGHXKKEOE-UHFFFAOYSA-N -1 3 374.360 3.012 20 0 FGADHM O=C(Nc1cccc(O)c1)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000826457170 607646848 /nfs/dbraw/zinc/64/68/48/607646848.db2.gz OHGIUTGHXKKEOE-UHFFFAOYSA-N -1 3 374.360 3.012 20 0 FGADHM COc1cc(OC)c(NC(=O)c2ccc(-c3nnn[n-]3)cc2C)cc1Cl ZINC000826181091 607647912 /nfs/dbraw/zinc/64/79/12/607647912.db2.gz KNLCOWARKZSTNQ-UHFFFAOYSA-N -1 3 373.800 3.098 20 0 FGADHM COc1cc(OC)c(NC(=O)c2ccc(-c3nn[n-]n3)cc2C)cc1Cl ZINC000826181091 607647913 /nfs/dbraw/zinc/64/79/13/607647913.db2.gz KNLCOWARKZSTNQ-UHFFFAOYSA-N -1 3 373.800 3.098 20 0 FGADHM Cc1cc(N2CCCC2)ccc1NC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000826269195 607650542 /nfs/dbraw/zinc/65/05/42/607650542.db2.gz DCSKLKLNQFGCIG-UHFFFAOYSA-N -1 3 362.437 3.336 20 0 FGADHM Cc1cc(N2CCCC2)ccc1NC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000826269195 607650543 /nfs/dbraw/zinc/65/05/43/607650543.db2.gz DCSKLKLNQFGCIG-UHFFFAOYSA-N -1 3 362.437 3.336 20 0 FGADHM CCOc1ccc(OCC)c(NC(=O)c2ccc(-c3nnn[n-]3)cc2C)c1 ZINC000825643374 607650729 /nfs/dbraw/zinc/65/07/29/607650729.db2.gz NGSZRUMTNRYESX-UHFFFAOYSA-N -1 3 367.409 3.225 20 0 FGADHM CCOc1ccc(OCC)c(NC(=O)c2ccc(-c3nn[n-]n3)cc2C)c1 ZINC000825643374 607650730 /nfs/dbraw/zinc/65/07/30/607650730.db2.gz NGSZRUMTNRYESX-UHFFFAOYSA-N -1 3 367.409 3.225 20 0 FGADHM C[C@H]1C[C@@H](NC(=O)c2cccc(NC(=O)[O-])c2)CN1Cc1ccccc1 ZINC000825851092 603967571 /nfs/dbraw/zinc/96/75/71/603967571.db2.gz GHVUQKLMDKIABI-KBXCAEBGSA-N -1 3 353.422 3.169 20 0 FGADHM COc1ccc(Br)cc1CN(C)C1CCN(C(=O)[O-])CC1 ZINC000829259997 603985457 /nfs/dbraw/zinc/98/54/57/603985457.db2.gz PLYKRPFYKSPDFX-UHFFFAOYSA-N -1 3 357.248 3.032 20 0 FGADHM CN(C)Cc1ccc(-c2noc(CC3C[C@H]4CC[C@@H](C3)N4C(=O)[O-])n2)cc1 ZINC000828042866 604039781 /nfs/dbraw/zinc/03/97/81/604039781.db2.gz SJOFABCKZQCONT-ZXFUBFMLSA-N -1 3 370.453 3.262 20 0 FGADHM Cc1ccc(CN(C)C)cc1NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)[O-] ZINC000830307793 604083829 /nfs/dbraw/zinc/08/38/29/604083829.db2.gz FNQOGOCEUCHNAS-NJAFHUGGSA-N -1 3 359.470 3.306 20 0 FGADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CCC[C@@H](CCCc2ccccc2)C1 ZINC000826470562 607675823 /nfs/dbraw/zinc/67/58/23/607675823.db2.gz UWKDHTVWVSLXBA-MRXNPFEDSA-N -1 3 364.453 3.070 20 0 FGADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CCC[C@@H](CCCc2ccccc2)C1 ZINC000826470562 607675825 /nfs/dbraw/zinc/67/58/25/607675825.db2.gz UWKDHTVWVSLXBA-MRXNPFEDSA-N -1 3 364.453 3.070 20 0 FGADHM C[C@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)c2oc3ccccc3c2CN(C)C)C1 ZINC000825252479 604228013 /nfs/dbraw/zinc/22/80/13/604228013.db2.gz DXKSUGIAVYMQEX-UONOGXRCSA-N -1 3 373.453 3.003 20 0 FGADHM Cc1nc2c(s1)[C@H](N(C)C(=O)c1ccc(-c3nnn[n-]3)cc1C)CCC2 ZINC000826328551 607689019 /nfs/dbraw/zinc/68/90/19/607689019.db2.gz VKBSOSQTKCIRNI-OAHLLOKOSA-N -1 3 368.466 3.090 20 0 FGADHM Cc1nc2c(s1)[C@H](N(C)C(=O)c1ccc(-c3nn[n-]n3)cc1C)CCC2 ZINC000826328551 607689022 /nfs/dbraw/zinc/68/90/22/607689022.db2.gz VKBSOSQTKCIRNI-OAHLLOKOSA-N -1 3 368.466 3.090 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCC[C@](C)(c2ccccc2)C1 ZINC000826245257 607689745 /nfs/dbraw/zinc/68/97/45/607689745.db2.gz SHKRTJYMJWCVRG-NRFANRHFSA-N -1 3 361.449 3.369 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCC[C@](C)(c2ccccc2)C1 ZINC000826245257 607689746 /nfs/dbraw/zinc/68/97/46/607689746.db2.gz SHKRTJYMJWCVRG-NRFANRHFSA-N -1 3 361.449 3.369 20 0 FGADHM O=C(CCc1ccc(F)cc1F)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826408362 607690893 /nfs/dbraw/zinc/69/08/93/607690893.db2.gz BYSRIFVLROONIB-UHFFFAOYSA-N -1 3 363.755 3.370 20 0 FGADHM O=C(CCc1ccc(F)cc1F)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826408362 607690894 /nfs/dbraw/zinc/69/08/94/607690894.db2.gz BYSRIFVLROONIB-UHFFFAOYSA-N -1 3 363.755 3.370 20 0 FGADHM Cc1nc(Cl)ccc1C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000826326367 607691881 /nfs/dbraw/zinc/69/18/81/607691881.db2.gz MTXLTVNOKMJVDY-UHFFFAOYSA-N -1 3 368.828 3.028 20 0 FGADHM Cc1nc(Cl)ccc1C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000826326367 607691882 /nfs/dbraw/zinc/69/18/82/607691882.db2.gz MTXLTVNOKMJVDY-UHFFFAOYSA-N -1 3 368.828 3.028 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1C[C@@H](c2ccc(F)cc2)C[C@H]1C ZINC000826243919 607693463 /nfs/dbraw/zinc/69/34/63/607693463.db2.gz ARUZYTCVIFVFSI-CJNGLKHVSA-N -1 3 365.412 3.332 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1C[C@@H](c2ccc(F)cc2)C[C@H]1C ZINC000826243919 607693464 /nfs/dbraw/zinc/69/34/64/607693464.db2.gz ARUZYTCVIFVFSI-CJNGLKHVSA-N -1 3 365.412 3.332 20 0 FGADHM COc1ccc([C@@H](C)CCNC(=O)c2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000826188018 607695487 /nfs/dbraw/zinc/69/54/87/607695487.db2.gz LLBNNQKLSBYIRL-ZDUSSCGKSA-N -1 3 365.437 3.107 20 0 FGADHM COc1ccc([C@@H](C)CCNC(=O)c2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000826188018 607695489 /nfs/dbraw/zinc/69/54/89/607695489.db2.gz LLBNNQKLSBYIRL-ZDUSSCGKSA-N -1 3 365.437 3.107 20 0 FGADHM C[C@@H]1C[C@H](NC(=O)Nc2cc(C(=O)[O-])cs2)CN1Cc1ccccc1 ZINC000828177184 604509426 /nfs/dbraw/zinc/50/94/26/604509426.db2.gz OWBQYWGSFRPGCE-DOMZBBRYSA-N -1 3 359.451 3.231 20 0 FGADHM O=C([O-])c1csc(NC(=O)NC[C@H]2CCCN2Cc2ccccc2)c1 ZINC000833141605 604518989 /nfs/dbraw/zinc/51/89/89/604518989.db2.gz WRZWMQGGNZRQRG-OAHLLOKOSA-N -1 3 359.451 3.232 20 0 FGADHM CC(C)(C(=O)[O-])[C@@H](NC(=O)N1CCN(C2CCCC2)CC1)c1ccccc1 ZINC000826096484 604529260 /nfs/dbraw/zinc/52/92/60/604529260.db2.gz WHJMUBYVFBCDOU-SFHVURJKSA-N -1 3 373.497 3.108 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@H](Cc1ccc(F)cc1)C(C)C ZINC000826246390 607698771 /nfs/dbraw/zinc/69/87/71/607698771.db2.gz CLRXMKLPMBWERC-GOSISDBHSA-N -1 3 367.428 3.311 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@H](Cc1ccc(F)cc1)C(C)C ZINC000826246390 607698773 /nfs/dbraw/zinc/69/87/73/607698773.db2.gz CLRXMKLPMBWERC-GOSISDBHSA-N -1 3 367.428 3.311 20 0 FGADHM C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)CCc2ccccc2C(=O)[O-])C1 ZINC000833547923 604719737 /nfs/dbraw/zinc/71/97/37/604719737.db2.gz GTHVWDAASCJYBR-QFBILLFUSA-N -1 3 366.461 3.269 20 0 FGADHM COc1ccccc1[C@@H](CN[C@H](C)c1cccc(NC(C)=O)c1)NC(=O)[O-] ZINC000829597100 604759939 /nfs/dbraw/zinc/75/99/39/604759939.db2.gz FIGFLKJMTVMSJI-FZKQIMNGSA-N -1 3 371.437 3.313 20 0 FGADHM O=C(Nc1ccc(NC2CCCCC2)cc1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826454601 607718925 /nfs/dbraw/zinc/71/89/25/607718925.db2.gz CMDRCCZRBHNKNB-UHFFFAOYSA-N -1 3 351.414 3.192 20 0 FGADHM O=C(Nc1ccc(NC2CCCCC2)cc1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826454601 607718927 /nfs/dbraw/zinc/71/89/27/607718927.db2.gz CMDRCCZRBHNKNB-UHFFFAOYSA-N -1 3 351.414 3.192 20 0 FGADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(CN2C(=O)C(C)(C)[C@@H]2c2ccccc2)C1 ZINC000833421253 604867556 /nfs/dbraw/zinc/86/75/56/604867556.db2.gz KWTPWJWTKGKDSO-SJORKVTESA-N -1 3 358.482 3.376 20 0 FGADHM CCCCN(Cc1ccccc1Cl)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000825285055 607720687 /nfs/dbraw/zinc/72/06/87/607720687.db2.gz HUCKBAYYMSXYJF-UHFFFAOYSA-N -1 3 358.833 3.291 20 0 FGADHM CCCCN(Cc1ccccc1Cl)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000825285055 607720689 /nfs/dbraw/zinc/72/06/89/607720689.db2.gz HUCKBAYYMSXYJF-UHFFFAOYSA-N -1 3 358.833 3.291 20 0 FGADHM CC(C)(C)OC(=O)c1ccc(CN2CCSC[C@H]2CC(=O)[O-])cc1 ZINC000833444510 604918971 /nfs/dbraw/zinc/91/89/71/604918971.db2.gz WUFBBJDOTDIHNT-OAHLLOKOSA-N -1 3 351.468 3.034 20 0 FGADHM Cc1c([C@H](C)N[C@@H](C)[C@H]2CCCN(C(=O)[O-])C2)nnn1-c1ccccc1 ZINC000829859665 604939194 /nfs/dbraw/zinc/93/91/94/604939194.db2.gz PQWYDXCNAMPCNM-DZKIICNBSA-N -1 3 357.458 3.005 20 0 FGADHM Cc1c([C@@H](C)NC2CCN(C(=O)[O-])CC2)nnn1-c1cccc(Cl)c1 ZINC000829859349 604981490 /nfs/dbraw/zinc/98/14/90/604981490.db2.gz LXJDUBZRXUJEJS-LLVKDONJSA-N -1 3 363.849 3.022 20 0 FGADHM Cc1cc(C)c(-c2nnn[n-]2)c(N2CCS[C@@H](c3ccccc3)C2)n1 ZINC000826262042 607728246 /nfs/dbraw/zinc/72/82/46/607728246.db2.gz CHWDQDJBBQRCGV-OAHLLOKOSA-N -1 3 352.467 3.173 20 0 FGADHM Cc1cc(C)c(-c2nn[n-]n2)c(N2CCS[C@@H](c3ccccc3)C2)n1 ZINC000826262042 607728248 /nfs/dbraw/zinc/72/82/48/607728248.db2.gz CHWDQDJBBQRCGV-OAHLLOKOSA-N -1 3 352.467 3.173 20 0 FGADHM CC(C)(C(=O)[O-])[C@H](NCC(=O)N1CCc2ccccc21)c1ccccc1 ZINC000833414413 605182874 /nfs/dbraw/zinc/18/28/74/605182874.db2.gz RMWLQGPLOIRMMM-LJQANCHMSA-N -1 3 352.434 3.017 20 0 FGADHM C[C@]1(C(=O)[O-])CCN(Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000263533850 605245991 /nfs/dbraw/zinc/24/59/91/605245991.db2.gz YBCOVGYTCILJGQ-AWEZNQCLSA-N -1 3 364.186 3.347 20 0 FGADHM O=C([O-])N[C@@H]1CCC[C@@H]2CN(Cc3ncc(-c4ccc(F)cc4)o3)C[C@@H]21 ZINC000834181233 605432408 /nfs/dbraw/zinc/43/24/08/605432408.db2.gz LNWPJONVCFBMKI-VNQPRFMTSA-N -1 3 359.401 3.349 20 0 FGADHM CCCN(Cc1nnc(-c2cccc(F)c2)o1)C1CCN(C(=O)[O-])CC1 ZINC000826916823 605474721 /nfs/dbraw/zinc/47/47/21/605474721.db2.gz SEQGPMCVSJKKQM-UHFFFAOYSA-N -1 3 362.405 3.230 20 0 FGADHM CC(C)[C@@H](N[C@H](C)C[C@H]1CCCN1C(=O)[O-])c1nc(-c2cccnc2)no1 ZINC000824769051 605497195 /nfs/dbraw/zinc/49/71/95/605497195.db2.gz RSIVVAHZRRKJNA-FVQBIDKESA-N -1 3 373.457 3.339 20 0 FGADHM CCOC(=O)Nc1ccc(NC(=O)[C@@H]2CCC[C@H](C)C2)cc1-c1nnn[n-]1 ZINC000825531471 607760163 /nfs/dbraw/zinc/76/01/63/607760163.db2.gz LAYOHLLFGIIAPL-NWDGAFQWSA-N -1 3 372.429 3.200 20 0 FGADHM CCOC(=O)Nc1ccc(NC(=O)[C@@H]2CCC[C@H](C)C2)cc1-c1nn[n-]n1 ZINC000825531471 607760164 /nfs/dbraw/zinc/76/01/64/607760164.db2.gz LAYOHLLFGIIAPL-NWDGAFQWSA-N -1 3 372.429 3.200 20 0 FGADHM CC(C)C[C@H](C)NC(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000824229834 607762355 /nfs/dbraw/zinc/76/23/55/607762355.db2.gz VPKXDMCTRATYRN-ZDUSSCGKSA-N -1 3 369.425 3.203 20 0 FGADHM CC(C)C[C@H](C)NC(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000824229834 607762356 /nfs/dbraw/zinc/76/23/56/607762356.db2.gz VPKXDMCTRATYRN-ZDUSSCGKSA-N -1 3 369.425 3.203 20 0 FGADHM Cc1noc(C)c1CCN[C@H]1C[C@]2(CCN(C(=O)[O-])C2)Oc2ccccc21 ZINC000833930355 605635608 /nfs/dbraw/zinc/63/56/08/605635608.db2.gz DXDJALIGJPECRJ-PXNSSMCTSA-N -1 3 371.437 3.070 20 0 FGADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cccc2ccsc21 ZINC000824738865 607771657 /nfs/dbraw/zinc/77/16/57/607771657.db2.gz SOCBAPMFQRUMJI-LLVKDONJSA-N -1 3 365.418 3.487 20 0 FGADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CCCC[C@H]1CCCc1ccccc1 ZINC000826470405 607771723 /nfs/dbraw/zinc/77/17/23/607771723.db2.gz OVUKPVYXNQWNGX-KRWDZBQOSA-N -1 3 364.453 3.212 20 0 FGADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CCCC[C@H]1CCCc1ccccc1 ZINC000826470405 607771724 /nfs/dbraw/zinc/77/17/24/607771724.db2.gz OVUKPVYXNQWNGX-KRWDZBQOSA-N -1 3 364.453 3.212 20 0 FGADHM O=C([O-])N[C@H]1C[C@@H](NCc2ccc(N3CCCC3=O)cc2)c2ccccc21 ZINC000834157162 605789125 /nfs/dbraw/zinc/78/91/25/605789125.db2.gz GOHZRVHUEJNDIY-MOPGFXCFSA-N -1 3 365.433 3.357 20 0 FGADHM Fc1ccc(Oc2ccc(CNc3ccc(-c4nnn[n-]4)nc3)cn2)cc1 ZINC000822782716 606051241 /nfs/dbraw/zinc/05/12/41/606051241.db2.gz CNVBXUUIBONLIR-UHFFFAOYSA-N -1 3 363.356 3.200 20 0 FGADHM Fc1ccc(Oc2ccc(CNc3ccc(-c4nn[n-]n4)nc3)cn2)cc1 ZINC000822782716 606051245 /nfs/dbraw/zinc/05/12/45/606051245.db2.gz CNVBXUUIBONLIR-UHFFFAOYSA-N -1 3 363.356 3.200 20 0 FGADHM CC(C)C[C@H](C)Oc1cc(CNc2ccc(-c3nnn[n-]3)nc2)ccn1 ZINC000820054991 606082206 /nfs/dbraw/zinc/08/22/06/606082206.db2.gz FHQPZGRMOODFMA-ZDUSSCGKSA-N -1 3 353.430 3.082 20 0 FGADHM CC(C)C[C@H](C)Oc1cc(CNc2ccc(-c3nn[n-]n3)nc2)ccn1 ZINC000820054991 606082208 /nfs/dbraw/zinc/08/22/08/606082208.db2.gz FHQPZGRMOODFMA-ZDUSSCGKSA-N -1 3 353.430 3.082 20 0 FGADHM Brc1cccc(C2(CNc3ccc(-c4nnn[n-]4)nc3)CC2)c1 ZINC000819687981 606084711 /nfs/dbraw/zinc/08/47/11/606084711.db2.gz ADJHBFQSTMRYKP-UHFFFAOYSA-N -1 3 371.242 3.168 20 0 FGADHM Brc1cccc(C2(CNc3ccc(-c4nn[n-]n4)nc3)CC2)c1 ZINC000819687981 606084715 /nfs/dbraw/zinc/08/47/15/606084715.db2.gz ADJHBFQSTMRYKP-UHFFFAOYSA-N -1 3 371.242 3.168 20 0 FGADHM Cc1ccc([C@@H]2OCCC[C@@H]2CNc2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000822233687 606097693 /nfs/dbraw/zinc/09/76/93/606097693.db2.gz STUFANWPMKFZKT-QAPCUYQASA-N -1 3 350.426 3.150 20 0 FGADHM Cc1ccc([C@@H]2OCCC[C@@H]2CNc2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000822233687 606097697 /nfs/dbraw/zinc/09/76/97/606097697.db2.gz STUFANWPMKFZKT-QAPCUYQASA-N -1 3 350.426 3.150 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H](C)[C@H](C)c1ccccc1 ZINC000822218114 606120962 /nfs/dbraw/zinc/12/09/62/606120962.db2.gz XNPNTDKHBLSJJC-KBPBESRZSA-N -1 3 350.426 3.489 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@H](C)[C@H](C)c1ccccc1 ZINC000822218114 606120964 /nfs/dbraw/zinc/12/09/64/606120964.db2.gz XNPNTDKHBLSJJC-KBPBESRZSA-N -1 3 350.426 3.489 20 0 FGADHM Cc1nc(CCCC(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000822439417 606127891 /nfs/dbraw/zinc/12/78/91/606127891.db2.gz AWZPSIGKBUTTTA-NSHDSACASA-N -1 3 357.439 3.259 20 0 FGADHM Cc1nc(CCCC(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000822439417 606127892 /nfs/dbraw/zinc/12/78/92/606127892.db2.gz AWZPSIGKBUTTTA-NSHDSACASA-N -1 3 357.439 3.259 20 0 FGADHM CN(Cc1ccc[nH]1)C(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821612340 606149750 /nfs/dbraw/zinc/14/97/50/606149750.db2.gz RANOYDQSULPYFN-UHFFFAOYSA-N -1 3 374.404 3.259 20 0 FGADHM CN(Cc1ccc[nH]1)C(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821612340 606149751 /nfs/dbraw/zinc/14/97/51/606149751.db2.gz RANOYDQSULPYFN-UHFFFAOYSA-N -1 3 374.404 3.259 20 0 FGADHM COc1ccc([C@H](C)CC(=O)OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821778047 606150402 /nfs/dbraw/zinc/15/04/02/606150402.db2.gz SMGNSTPPYCRDAH-CYBMUJFWSA-N -1 3 352.394 3.112 20 0 FGADHM COc1ccc([C@H](C)CC(=O)OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821778047 606150404 /nfs/dbraw/zinc/15/04/04/606150404.db2.gz SMGNSTPPYCRDAH-CYBMUJFWSA-N -1 3 352.394 3.112 20 0 FGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N1C[C@H]2CCCC[C@@H]2C1 ZINC000820152210 606151229 /nfs/dbraw/zinc/15/12/29/606151229.db2.gz UKLMKLNMRZQLAN-HUUCEWRRSA-N -1 3 370.457 3.308 20 0 FGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N1C[C@H]2CCCC[C@@H]2C1 ZINC000820152210 606151230 /nfs/dbraw/zinc/15/12/30/606151230.db2.gz UKLMKLNMRZQLAN-HUUCEWRRSA-N -1 3 370.457 3.308 20 0 FGADHM CC1(C)CCN1C(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000820601718 606151360 /nfs/dbraw/zinc/15/13/60/606151360.db2.gz SMVLBLSCQLEXHF-UHFFFAOYSA-N -1 3 363.421 3.070 20 0 FGADHM CC1(C)CCN1C(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000820601718 606151361 /nfs/dbraw/zinc/15/13/61/606151361.db2.gz SMVLBLSCQLEXHF-UHFFFAOYSA-N -1 3 363.421 3.070 20 0 FGADHM C[C@H](OC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1nc2ccccc2n1C ZINC000820487495 606169065 /nfs/dbraw/zinc/16/90/65/606169065.db2.gz HIPOVEKDWPUXTC-YLSINNKHSA-N -1 3 374.404 3.071 20 0 FGADHM C[C@H](OC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1nc2ccccc2n1C ZINC000820487495 606169066 /nfs/dbraw/zinc/16/90/66/606169066.db2.gz HIPOVEKDWPUXTC-YLSINNKHSA-N -1 3 374.404 3.071 20 0 FGADHM Cc1nc(CCNc2ccc(Br)cc2-c2nnn[n-]2)cs1 ZINC000822440752 606175073 /nfs/dbraw/zinc/17/50/73/606175073.db2.gz PXGJVMIECKXCDS-UHFFFAOYSA-N -1 3 365.260 3.049 20 0 FGADHM Cc1nc(CCNc2ccc(Br)cc2-c2nn[n-]n2)cs1 ZINC000822440752 606175074 /nfs/dbraw/zinc/17/50/74/606175074.db2.gz PXGJVMIECKXCDS-UHFFFAOYSA-N -1 3 365.260 3.049 20 0 FGADHM C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)c1sccc1-c1nnn[n-]1 ZINC000820728346 606190967 /nfs/dbraw/zinc/19/09/67/606190967.db2.gz VCVBFQBWFUJWOL-OTYXRUKQSA-N -1 3 357.414 3.121 20 0 FGADHM C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)c1sccc1-c1nn[n-]n1 ZINC000820728346 606190969 /nfs/dbraw/zinc/19/09/69/606190969.db2.gz VCVBFQBWFUJWOL-OTYXRUKQSA-N -1 3 357.414 3.121 20 0 FGADHM CCC[C@H](C)OC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000821014035 606226511 /nfs/dbraw/zinc/22/65/11/606226511.db2.gz AZWHHVDTHBMSPU-LBPRGKRZSA-N -1 3 353.382 3.399 20 0 FGADHM CCC[C@H](C)OC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000821014035 606226512 /nfs/dbraw/zinc/22/65/12/606226512.db2.gz AZWHHVDTHBMSPU-LBPRGKRZSA-N -1 3 353.382 3.399 20 0 FGADHM CC(C)c1ccccc1N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000820197285 606243173 /nfs/dbraw/zinc/24/31/73/606243173.db2.gz IOQIEDFTNSYRDS-GOSISDBHSA-N -1 3 362.437 3.208 20 0 FGADHM CC(C)c1ccccc1N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000820197285 606243175 /nfs/dbraw/zinc/24/31/75/606243175.db2.gz IOQIEDFTNSYRDS-GOSISDBHSA-N -1 3 362.437 3.208 20 0 FGADHM CC(C)Sc1ccc([C@H](C)NC(=O)c2cc(-c3nnn[n-]3)cn2C)cc1 ZINC000820184018 606245948 /nfs/dbraw/zinc/24/59/48/606245948.db2.gz SKDOBLMMXTWPGP-LBPRGKRZSA-N -1 3 370.482 3.197 20 0 FGADHM CC(C)Sc1ccc([C@H](C)NC(=O)c2cc(-c3nn[n-]n3)cn2C)cc1 ZINC000820184018 606245949 /nfs/dbraw/zinc/24/59/49/606245949.db2.gz SKDOBLMMXTWPGP-LBPRGKRZSA-N -1 3 370.482 3.197 20 0 FGADHM Cc1cccc(N[C@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)c1Cl ZINC000822323671 606250118 /nfs/dbraw/zinc/25/01/18/606250118.db2.gz MBWBHMOUXLTFKU-HNNXBMFYSA-N -1 3 368.828 3.046 20 0 FGADHM Cc1cccc(N[C@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)c1Cl ZINC000822323671 606250120 /nfs/dbraw/zinc/25/01/20/606250120.db2.gz MBWBHMOUXLTFKU-HNNXBMFYSA-N -1 3 368.828 3.046 20 0 FGADHM O=C(CSc1ccc2c(c1)CCC2)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000823065839 606267415 /nfs/dbraw/zinc/26/74/15/606267415.db2.gz CLMFAYDYSFZMBC-UHFFFAOYSA-N -1 3 369.425 3.225 20 0 FGADHM O=C(CSc1ccc2c(c1)CCC2)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000823065839 606267417 /nfs/dbraw/zinc/26/74/17/606267417.db2.gz CLMFAYDYSFZMBC-UHFFFAOYSA-N -1 3 369.425 3.225 20 0 FGADHM C[C@H](c1ccccc1)N(CC1CCC1)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000820570477 606278575 /nfs/dbraw/zinc/27/85/75/606278575.db2.gz KMHFCZSUISAASI-CYBMUJFWSA-N -1 3 350.426 3.198 20 0 FGADHM C[C@H](c1ccccc1)N(CC1CCC1)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000820570477 606278576 /nfs/dbraw/zinc/27/85/76/606278576.db2.gz KMHFCZSUISAASI-CYBMUJFWSA-N -1 3 350.426 3.198 20 0 FGADHM C[C@H]1[C@H](c2ccccc2)CCN1C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000820642265 606279224 /nfs/dbraw/zinc/27/92/24/606279224.db2.gz HHLXBYGGNUEEFL-HNAYVOBHSA-N -1 3 361.449 3.204 20 0 FGADHM C[C@H]1[C@H](c2ccccc2)CCN1C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000820642265 606279225 /nfs/dbraw/zinc/27/92/25/606279225.db2.gz HHLXBYGGNUEEFL-HNAYVOBHSA-N -1 3 361.449 3.204 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(C(C)=O)cs1 ZINC000821123111 606281681 /nfs/dbraw/zinc/28/16/81/606281681.db2.gz JXLOSZCQRBYVMY-UHFFFAOYSA-N -1 3 370.438 3.205 20 0 FGADHM O=C(Nc1ccc(CNc2ccccc2)cc1)c1ccc(-c2nnn[n-]2)cn1 ZINC000823323065 606290662 /nfs/dbraw/zinc/29/06/62/606290662.db2.gz AAOFKWQVJOEAGG-UHFFFAOYSA-N -1 3 371.404 3.126 20 0 FGADHM O=C(Nc1ccc(CNc2ccccc2)cc1)c1ccc(-c2nn[n-]n2)cn1 ZINC000823323065 606290664 /nfs/dbraw/zinc/29/06/64/606290664.db2.gz AAOFKWQVJOEAGG-UHFFFAOYSA-N -1 3 371.404 3.126 20 0 FGADHM COC(=O)[C@H](N[C@H](C)c1ccccc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000821641226 606298399 /nfs/dbraw/zinc/29/83/99/606298399.db2.gz YLVWKJZSKKQULK-BDJLRTHQSA-N -1 3 371.828 3.085 20 0 FGADHM COC(=O)[C@H](N[C@H](C)c1ccccc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000821641226 606298400 /nfs/dbraw/zinc/29/84/00/606298400.db2.gz YLVWKJZSKKQULK-BDJLRTHQSA-N -1 3 371.828 3.085 20 0 FGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NCCCOCC(F)(F)F ZINC000820156023 606309193 /nfs/dbraw/zinc/30/91/93/606309193.db2.gz ZSXKGAVWFJNJGF-UHFFFAOYSA-N -1 3 359.352 3.035 20 0 FGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NCCCOCC(F)(F)F ZINC000820156023 606309195 /nfs/dbraw/zinc/30/91/95/606309195.db2.gz ZSXKGAVWFJNJGF-UHFFFAOYSA-N -1 3 359.352 3.035 20 0 FGADHM Clc1ccccc1-c1noc(CNc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000822585471 606312753 /nfs/dbraw/zinc/31/27/53/606312753.db2.gz ACPCTSJPTZTZAC-UHFFFAOYSA-N -1 3 353.773 3.182 20 0 FGADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N(Cc1ccccc1)Cc1ccccc1 ZINC000823459938 606314146 /nfs/dbraw/zinc/31/41/46/606314146.db2.gz DQTIXJYBEKAZAZ-UHFFFAOYSA-N -1 3 358.405 3.037 20 0 FGADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N(Cc1ccccc1)Cc1ccccc1 ZINC000823459938 606314148 /nfs/dbraw/zinc/31/41/48/606314148.db2.gz DQTIXJYBEKAZAZ-UHFFFAOYSA-N -1 3 358.405 3.037 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)N[C@H]1CCc2cc(Cl)ccc21 ZINC000823343607 606346753 /nfs/dbraw/zinc/34/67/53/606346753.db2.gz AWZALWYREWEIDA-AWEZNQCLSA-N -1 3 372.791 3.468 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)N[C@H]1CCc2cc(Cl)ccc21 ZINC000823343607 606346754 /nfs/dbraw/zinc/34/67/54/606346754.db2.gz AWZALWYREWEIDA-AWEZNQCLSA-N -1 3 372.791 3.468 20 0 FGADHM CCS[C@H]1CCC[C@@H](NC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000821455698 606349110 /nfs/dbraw/zinc/34/91/10/606349110.db2.gz LHTBTRRPKSSKKG-NEPJUHHUSA-N -1 3 364.450 3.192 20 0 FGADHM CCS[C@H]1CCC[C@@H](NC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000821455698 606349111 /nfs/dbraw/zinc/34/91/11/606349111.db2.gz LHTBTRRPKSSKKG-NEPJUHHUSA-N -1 3 364.450 3.192 20 0 FGADHM CC[C@H](c1ccncc1)N(C)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820945362 606349210 /nfs/dbraw/zinc/34/92/10/606349210.db2.gz RQDCGFLLXOQPMG-OAHLLOKOSA-N -1 3 355.377 3.016 20 0 FGADHM CC[C@H](c1ccncc1)N(C)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820945362 606349212 /nfs/dbraw/zinc/34/92/12/606349212.db2.gz RQDCGFLLXOQPMG-OAHLLOKOSA-N -1 3 355.377 3.016 20 0 FGADHM C[C@@H](OC(=O)C=Cc1cnc2ccccc2n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820488539 606352109 /nfs/dbraw/zinc/35/21/09/606352109.db2.gz PCHNTWIQKYWVNZ-OCHBPSSRSA-N -1 3 372.388 3.128 20 0 FGADHM C[C@@H](OC(=O)C=Cc1cnc2ccccc2n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820488539 606352111 /nfs/dbraw/zinc/35/21/11/606352111.db2.gz PCHNTWIQKYWVNZ-OCHBPSSRSA-N -1 3 372.388 3.128 20 0 FGADHM C[C@@H](Oc1ccc(F)c(F)c1)C(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820534239 606352991 /nfs/dbraw/zinc/35/29/91/606352991.db2.gz KLIHNMZELUUVIX-GHMZBOCLSA-N -1 3 374.347 3.217 20 0 FGADHM C[C@@H](Oc1ccc(F)c(F)c1)C(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820534239 606352993 /nfs/dbraw/zinc/35/29/93/606352993.db2.gz KLIHNMZELUUVIX-GHMZBOCLSA-N -1 3 374.347 3.217 20 0 FGADHM CCC(CC)(CNC(=O)Nc1ccc(F)cc1-c1nnn[n-]1)SC ZINC000820887351 606353834 /nfs/dbraw/zinc/35/38/34/606353834.db2.gz AIHFVGWBKLEBAT-UHFFFAOYSA-N -1 3 352.439 3.049 20 0 FGADHM CCC(CC)(CNC(=O)Nc1ccc(F)cc1-c1nn[n-]n1)SC ZINC000820887351 606353837 /nfs/dbraw/zinc/35/38/37/606353837.db2.gz AIHFVGWBKLEBAT-UHFFFAOYSA-N -1 3 352.439 3.049 20 0 FGADHM C[C@H](OC(=O)c1cnc(Cl)c(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820518531 606354813 /nfs/dbraw/zinc/35/48/13/606354813.db2.gz GIZNPWVXOZCIRF-QMMMGPOBSA-N -1 3 364.192 3.487 20 0 FGADHM C[C@H](OC(=O)c1cnc(Cl)c(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820518531 606354814 /nfs/dbraw/zinc/35/48/14/606354814.db2.gz GIZNPWVXOZCIRF-QMMMGPOBSA-N -1 3 364.192 3.487 20 0 FGADHM C[C@H](OC(=O)CCCOc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820498008 606354825 /nfs/dbraw/zinc/35/48/25/606354825.db2.gz XVYHZJNSXZQGPN-AWEZNQCLSA-N -1 3 352.394 3.330 20 0 FGADHM C[C@H](OC(=O)CCCOc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820498008 606354826 /nfs/dbraw/zinc/35/48/26/606354826.db2.gz XVYHZJNSXZQGPN-AWEZNQCLSA-N -1 3 352.394 3.330 20 0 FGADHM C[C@H](OC(=O)c1cccc(Cn2ccnc2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820512092 606358063 /nfs/dbraw/zinc/35/80/63/606358063.db2.gz GSFNUXCPJCKJAX-AWEZNQCLSA-N -1 3 374.404 3.030 20 0 FGADHM C[C@H](NC(=O)Nc1ccc(F)cc1-c1nnn[n-]1)[C@@H](C)c1ccccc1 ZINC000820379751 606358690 /nfs/dbraw/zinc/35/86/90/606358690.db2.gz GJRSUJSFMDKPTI-NEPJUHHUSA-N -1 3 354.389 3.320 20 0 FGADHM C[C@H](NC(=O)Nc1ccc(F)cc1-c1nn[n-]n1)[C@@H](C)c1ccccc1 ZINC000820379751 606358692 /nfs/dbraw/zinc/35/86/92/606358692.db2.gz GJRSUJSFMDKPTI-NEPJUHHUSA-N -1 3 354.389 3.320 20 0 FGADHM Cc1ocnc1C(=O)Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822554098 606361723 /nfs/dbraw/zinc/36/17/23/606361723.db2.gz UHQPXOBHYVPAKD-UHFFFAOYSA-N -1 3 363.333 3.175 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cnc2ccccc2c1C ZINC000821412028 606362861 /nfs/dbraw/zinc/36/28/61/606362861.db2.gz GCVNOSRKDYIRMZ-UHFFFAOYSA-N -1 3 374.404 3.374 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cnc2ccccc2c1C ZINC000821412028 606362862 /nfs/dbraw/zinc/36/28/62/606362862.db2.gz GCVNOSRKDYIRMZ-UHFFFAOYSA-N -1 3 374.404 3.374 20 0 FGADHM C[C@H]1CC(C)(C)CC[C@H]1NC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000820650563 606383614 /nfs/dbraw/zinc/38/36/14/606383614.db2.gz VSDQXXHSEOCXGH-XJKSGUPXSA-N -1 3 356.474 3.223 20 0 FGADHM C[C@H]1CC(C)(C)CC[C@H]1NC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000820650563 606383616 /nfs/dbraw/zinc/38/36/16/606383616.db2.gz VSDQXXHSEOCXGH-XJKSGUPXSA-N -1 3 356.474 3.223 20 0 FGADHM Fc1cc(Br)cc(CSc2cc(-c3nnn[n-]3)ccn2)c1 ZINC000822748297 606400049 /nfs/dbraw/zinc/40/00/49/606400049.db2.gz RYGMLTCNPBCMJX-UHFFFAOYSA-N -1 3 366.219 3.456 20 0 FGADHM Fc1cc(Br)cc(CSc2cc(-c3nn[n-]n3)ccn2)c1 ZINC000822748297 606400051 /nfs/dbraw/zinc/40/00/51/606400051.db2.gz RYGMLTCNPBCMJX-UHFFFAOYSA-N -1 3 366.219 3.456 20 0 FGADHM c1c2ccccc2oc1-c1nnc(Sc2ccc(-c3nnn[n-]3)cn2)o1 ZINC000823802728 606403129 /nfs/dbraw/zinc/40/31/29/606403129.db2.gz ZXWGNXAEVSKULB-UHFFFAOYSA-N -1 3 363.362 3.209 20 0 FGADHM c1c2ccccc2oc1-c1nnc(Sc2ccc(-c3nn[n-]n3)cn2)o1 ZINC000823802728 606403130 /nfs/dbraw/zinc/40/31/30/606403130.db2.gz ZXWGNXAEVSKULB-UHFFFAOYSA-N -1 3 363.362 3.209 20 0 FGADHM C[C@@H](OC(=O)c1cc(-c2nnn[n-]2)cn1C)c1ccccc1C(F)(F)F ZINC000820508718 606406799 /nfs/dbraw/zinc/40/67/99/606406799.db2.gz WAJACFYPFXBPKD-SECBINFHSA-N -1 3 365.315 3.142 20 0 FGADHM C[C@@H](OC(=O)c1cc(-c2nn[n-]n2)cn1C)c1ccccc1C(F)(F)F ZINC000820508718 606406801 /nfs/dbraw/zinc/40/68/01/606406801.db2.gz WAJACFYPFXBPKD-SECBINFHSA-N -1 3 365.315 3.142 20 0 FGADHM Cc1cc(C)cc(OCC(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)c1 ZINC000822197665 606414609 /nfs/dbraw/zinc/41/46/09/606414609.db2.gz KEDDDWBUCXJXKQ-UHFFFAOYSA-N -1 3 371.828 3.179 20 0 FGADHM Cc1cc(C)cc(OCC(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)c1 ZINC000822197665 606414611 /nfs/dbraw/zinc/41/46/11/606414611.db2.gz KEDDDWBUCXJXKQ-UHFFFAOYSA-N -1 3 371.828 3.179 20 0 FGADHM CC[C@H](c1nnc(Sc2ncccc2-c2nnn[n-]2)o1)c1ccccc1 ZINC000820945400 606432291 /nfs/dbraw/zinc/43/22/91/606432291.db2.gz SKSCRNVKBFJDTN-LBPRGKRZSA-N -1 3 365.422 3.338 20 0 FGADHM CC[C@H](c1nnc(Sc2ncccc2-c2nn[n-]n2)o1)c1ccccc1 ZINC000820945400 606432292 /nfs/dbraw/zinc/43/22/92/606432292.db2.gz SKSCRNVKBFJDTN-LBPRGKRZSA-N -1 3 365.422 3.338 20 0 FGADHM C[C@H](Nc1c(Cl)cccc1-c1nnn[n-]1)c1ccc(-n2cncn2)cc1 ZINC000820451571 606441333 /nfs/dbraw/zinc/44/13/33/606441333.db2.gz VZPBGHUVOVKQEZ-NSHDSACASA-N -1 3 366.816 3.274 20 0 FGADHM C[C@H](Nc1c(Cl)cccc1-c1nn[n-]n1)c1ccc(-n2cncn2)cc1 ZINC000820451571 606441335 /nfs/dbraw/zinc/44/13/35/606441335.db2.gz VZPBGHUVOVKQEZ-NSHDSACASA-N -1 3 366.816 3.274 20 0 FGADHM O=C(OCc1ccc(C(F)(F)F)cc1)c1cc(-c2nnn[n-]2)cs1 ZINC000823421976 606464111 /nfs/dbraw/zinc/46/41/11/606464111.db2.gz LTEZZKKYMYQVNI-UHFFFAOYSA-N -1 3 354.313 3.304 20 0 FGADHM O=C(OCc1ccc(C(F)(F)F)cc1)c1cc(-c2nn[n-]n2)cs1 ZINC000823421976 606464112 /nfs/dbraw/zinc/46/41/12/606464112.db2.gz LTEZZKKYMYQVNI-UHFFFAOYSA-N -1 3 354.313 3.304 20 0 FGADHM O=C(OCCc1cccc(C(F)(F)F)c1)c1cc(-c2nnn[n-]2)cs1 ZINC000823410485 606467693 /nfs/dbraw/zinc/46/76/93/606467693.db2.gz XMZLGGGXSAPIPV-UHFFFAOYSA-N -1 3 368.340 3.347 20 0 FGADHM O=C(OCCc1cccc(C(F)(F)F)c1)c1cc(-c2nn[n-]n2)cs1 ZINC000823410485 606467694 /nfs/dbraw/zinc/46/76/94/606467694.db2.gz XMZLGGGXSAPIPV-UHFFFAOYSA-N -1 3 368.340 3.347 20 0 FGADHM OC[C@H](CNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccccc1 ZINC000823705336 606477885 /nfs/dbraw/zinc/47/78/85/606477885.db2.gz GCOCVPDLOSBXGI-LBPRGKRZSA-N -1 3 363.343 3.074 20 0 FGADHM OC[C@H](CNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccccc1 ZINC000823705336 606477887 /nfs/dbraw/zinc/47/78/87/606477887.db2.gz GCOCVPDLOSBXGI-LBPRGKRZSA-N -1 3 363.343 3.074 20 0 FGADHM O=C(c1cc(-c2nnn[n-]2)cs1)N(Cc1ccco1)Cc1ccccc1 ZINC000823466408 606482498 /nfs/dbraw/zinc/48/24/98/606482498.db2.gz LXOQWGJHCQYCMY-UHFFFAOYSA-N -1 3 365.418 3.364 20 0 FGADHM O=C(c1cc(-c2nn[n-]n2)cs1)N(Cc1ccco1)Cc1ccccc1 ZINC000823466408 606482501 /nfs/dbraw/zinc/48/25/01/606482501.db2.gz LXOQWGJHCQYCMY-UHFFFAOYSA-N -1 3 365.418 3.364 20 0 FGADHM O=C(N[C@@H]1CCSc2c(F)cccc21)c1cc(-c2nnn[n-]2)cs1 ZINC000823162683 606485619 /nfs/dbraw/zinc/48/56/19/606485619.db2.gz ZLXXYIDIBZSQBC-LLVKDONJSA-N -1 3 361.427 3.034 20 0 FGADHM O=C(N[C@@H]1CCSc2c(F)cccc21)c1cc(-c2nn[n-]n2)cs1 ZINC000823162683 606485622 /nfs/dbraw/zinc/48/56/22/606485622.db2.gz ZLXXYIDIBZSQBC-LLVKDONJSA-N -1 3 361.427 3.034 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)NC(c1ccccc1)c1ccccc1 ZINC000823092834 606489903 /nfs/dbraw/zinc/48/99/03/606489903.db2.gz MKXBFYBKTBXOLR-UHFFFAOYSA-N -1 3 369.428 3.315 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)NC(c1ccccc1)c1ccccc1 ZINC000823092834 606489905 /nfs/dbraw/zinc/48/99/05/606489905.db2.gz MKXBFYBKTBXOLR-UHFFFAOYSA-N -1 3 369.428 3.315 20 0 FGADHM FC(F)Oc1cc(-c2nn[n-]n2)ccc1CN1CCC[C@H]1c1ccccn1 ZINC000822731180 606499700 /nfs/dbraw/zinc/49/97/00/606499700.db2.gz ADJBBLWQKKOCTO-HNNXBMFYSA-N -1 3 372.379 3.200 20 0 FGADHM CCCOc1ccc(Cl)cc1C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000821134435 606522759 /nfs/dbraw/zinc/52/27/59/606522759.db2.gz UXWGJWCVASCWLX-UHFFFAOYSA-N -1 3 371.828 3.239 20 0 FGADHM CCCOc1ccc(Cl)cc1C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000821134435 606522760 /nfs/dbraw/zinc/52/27/60/606522760.db2.gz UXWGJWCVASCWLX-UHFFFAOYSA-N -1 3 371.828 3.239 20 0 FGADHM Cc1cccc(C2(NC(=O)Cc3cccc(-c4nnn[n-]4)c3)CCCC2)c1 ZINC000822299349 606547641 /nfs/dbraw/zinc/54/76/41/606547641.db2.gz GFBZOYYIZSTGFQ-UHFFFAOYSA-N -1 3 361.449 3.303 20 0 FGADHM Cc1cccc(C2(NC(=O)Cc3cccc(-c4nn[n-]n4)c3)CCCC2)c1 ZINC000822299349 606547643 /nfs/dbraw/zinc/54/76/43/606547643.db2.gz GFBZOYYIZSTGFQ-UHFFFAOYSA-N -1 3 361.449 3.303 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N[C@@H](C1CCCC1)C(F)(F)F ZINC000822929375 606548697 /nfs/dbraw/zinc/54/86/97/606548697.db2.gz SYWKENPNKLMAOV-KVPUOBJLSA-N -1 3 365.359 3.117 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N[C@@H](C1CCCC1)C(F)(F)F ZINC000822929375 606548699 /nfs/dbraw/zinc/54/86/99/606548699.db2.gz SYWKENPNKLMAOV-KVPUOBJLSA-N -1 3 365.359 3.117 20 0 FGADHM O=C(OCc1ncc(-c2cccc(F)c2)o1)c1cc(-c2nnn[n-]2)cs1 ZINC000823440324 606564623 /nfs/dbraw/zinc/56/46/23/606564623.db2.gz NGTLKKZMBRSALH-UHFFFAOYSA-N -1 3 371.353 3.079 20 0 FGADHM O=C(OCc1ncc(-c2cccc(F)c2)o1)c1cc(-c2nn[n-]n2)cs1 ZINC000823440324 606564624 /nfs/dbraw/zinc/56/46/24/606564624.db2.gz NGTLKKZMBRSALH-UHFFFAOYSA-N -1 3 371.353 3.079 20 0 FGADHM CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820914633 606576072 /nfs/dbraw/zinc/57/60/72/606576072.db2.gz QILXXGSBAHUTCO-LJQANCHMSA-N -1 3 363.465 3.197 20 0 FGADHM CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820914633 606576074 /nfs/dbraw/zinc/57/60/74/606576074.db2.gz QILXXGSBAHUTCO-LJQANCHMSA-N -1 3 363.465 3.197 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1cccc(Oc2ccccn2)c1 ZINC000823108768 606580420 /nfs/dbraw/zinc/58/04/20/606580420.db2.gz RVMINYVAWIZNQH-UHFFFAOYSA-N -1 3 372.388 3.235 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1cccc(Oc2ccccn2)c1 ZINC000823108768 606580421 /nfs/dbraw/zinc/58/04/21/606580421.db2.gz RVMINYVAWIZNQH-UHFFFAOYSA-N -1 3 372.388 3.235 20 0 FGADHM Cc1ccc(C(F)(F)F)cc1NC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000822230244 606581288 /nfs/dbraw/zinc/58/12/88/606581288.db2.gz ACZRVBBHQGIFBN-UHFFFAOYSA-N -1 3 361.327 3.375 20 0 FGADHM Cc1ccc(C(F)(F)F)cc1NC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000822230244 606581291 /nfs/dbraw/zinc/58/12/91/606581291.db2.gz ACZRVBBHQGIFBN-UHFFFAOYSA-N -1 3 361.327 3.375 20 0 FGADHM CSc1ccc(NC(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1Cl ZINC000821984056 606582416 /nfs/dbraw/zinc/58/24/16/606582416.db2.gz LSIBJNMFIXXSAC-UHFFFAOYSA-N -1 3 359.842 3.423 20 0 FGADHM CSc1ccc(NC(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1Cl ZINC000821984056 606582417 /nfs/dbraw/zinc/58/24/17/606582417.db2.gz LSIBJNMFIXXSAC-UHFFFAOYSA-N -1 3 359.842 3.423 20 0 FGADHM Fc1ccc(F)c2c1CCN(c1nc3ccccc3cc1-c1nnn[n-]1)C2 ZINC000822778022 606593252 /nfs/dbraw/zinc/59/32/52/606593252.db2.gz APIRTJABQZUREZ-UHFFFAOYSA-N -1 3 364.359 3.256 20 0 FGADHM Fc1ccc(F)c2c1CCN(c1nc3ccccc3cc1-c1nn[n-]n1)C2 ZINC000822778022 606593254 /nfs/dbraw/zinc/59/32/54/606593254.db2.gz APIRTJABQZUREZ-UHFFFAOYSA-N -1 3 364.359 3.256 20 0 FGADHM CCCc1ccc(OCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)cc1 ZINC000821143092 606596393 /nfs/dbraw/zinc/59/63/93/606596393.db2.gz QVBHYNSJAIGMEQ-UHFFFAOYSA-N -1 3 362.393 3.448 20 0 FGADHM CCCc1ccc(OCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)cc1 ZINC000821143092 606596394 /nfs/dbraw/zinc/59/63/94/606596394.db2.gz QVBHYNSJAIGMEQ-UHFFFAOYSA-N -1 3 362.393 3.448 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1cc(-c2ccccc2)ns1 ZINC000823103310 606599190 /nfs/dbraw/zinc/59/91/90/606599190.db2.gz DWJYPRTTZXHZAL-UHFFFAOYSA-N -1 3 362.418 3.171 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1cc(-c2ccccc2)ns1 ZINC000823103310 606599191 /nfs/dbraw/zinc/59/91/91/606599191.db2.gz DWJYPRTTZXHZAL-UHFFFAOYSA-N -1 3 362.418 3.171 20 0 FGADHM C[C@@H](CNC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccncc1 ZINC000820273973 606618210 /nfs/dbraw/zinc/61/82/10/606618210.db2.gz AWOJPQNWZOKAEQ-JTQLQIEISA-N -1 3 373.873 3.005 20 0 FGADHM C[C@@H](CNC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccncc1 ZINC000820273973 606618212 /nfs/dbraw/zinc/61/82/12/606618212.db2.gz AWOJPQNWZOKAEQ-JTQLQIEISA-N -1 3 373.873 3.005 20 0 FGADHM CC1(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)nc2)CCC1 ZINC000820576981 606627737 /nfs/dbraw/zinc/62/77/37/606627737.db2.gz FSPOADIKTUOZJY-UHFFFAOYSA-N -1 3 350.382 3.183 20 0 FGADHM Cc1cccc(Cl)c1N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000822303489 606638901 /nfs/dbraw/zinc/63/89/01/606638901.db2.gz CJHQUPZEJMOPTC-OAHLLOKOSA-N -1 3 368.828 3.046 20 0 FGADHM Cc1cccc(Cl)c1N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000822303489 606638902 /nfs/dbraw/zinc/63/89/02/606638902.db2.gz CJHQUPZEJMOPTC-OAHLLOKOSA-N -1 3 368.828 3.046 20 0 FGADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)C=CSCc2ccco2)s1 ZINC000821466251 606655582 /nfs/dbraw/zinc/65/55/82/606655582.db2.gz VHHFZAYMTYMYME-FNORWQNLSA-N -1 3 361.452 3.469 20 0 FGADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)/C=C/SCc2ccco2)s1 ZINC000821466251 606655583 /nfs/dbraw/zinc/65/55/83/606655583.db2.gz VHHFZAYMTYMYME-FNORWQNLSA-N -1 3 361.452 3.469 20 0 FGADHM Clc1ccc(NCc2noc(-c3ccsc3)n2)cc1-c1nnn[n-]1 ZINC000822578555 606656854 /nfs/dbraw/zinc/65/68/54/606656854.db2.gz KNQHLMZEVUTBFS-UHFFFAOYSA-N -1 3 359.802 3.244 20 0 FGADHM Clc1ccc(NCc2noc(-c3ccsc3)n2)cc1-c1nn[n-]n1 ZINC000822578555 606656855 /nfs/dbraw/zinc/65/68/55/606656855.db2.gz KNQHLMZEVUTBFS-UHFFFAOYSA-N -1 3 359.802 3.244 20 0 FGADHM Cc1ccc(NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c2cccnc12 ZINC000822248545 606665210 /nfs/dbraw/zinc/66/52/10/606665210.db2.gz GHRMYNCPBWHMTR-UHFFFAOYSA-N -1 3 366.331 3.254 20 0 FGADHM Cc1ccc(NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c2cccnc12 ZINC000822248545 606665211 /nfs/dbraw/zinc/66/52/11/606665211.db2.gz GHRMYNCPBWHMTR-UHFFFAOYSA-N -1 3 366.331 3.254 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)c1sc(C)nc1CC(C)C ZINC000821700576 606665451 /nfs/dbraw/zinc/66/54/51/606665451.db2.gz SCWZZIXJCRKFEY-UHFFFAOYSA-N -1 3 373.438 3.058 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)c1sc(C)nc1CC(C)C ZINC000821700576 606665452 /nfs/dbraw/zinc/66/54/52/606665452.db2.gz SCWZZIXJCRKFEY-UHFFFAOYSA-N -1 3 373.438 3.058 20 0 FGADHM CN(C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)[C@H]1CCCc2ccccc21 ZINC000821571798 606666368 /nfs/dbraw/zinc/66/63/68/606666368.db2.gz FXLRDRMGRHTPRY-INIZCTEOSA-N -1 3 369.375 3.295 20 0 FGADHM CN(C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)[C@H]1CCCc2ccccc21 ZINC000821571798 606666369 /nfs/dbraw/zinc/66/63/69/606666369.db2.gz FXLRDRMGRHTPRY-INIZCTEOSA-N -1 3 369.375 3.295 20 0 FGADHM Cc1ccc([C@H](C)N(C)C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1 ZINC000822228828 606669700 /nfs/dbraw/zinc/66/97/00/606669700.db2.gz GIQYOYKBOVHCBJ-NSHDSACASA-N -1 3 357.364 3.287 20 0 FGADHM Cc1ccc([C@H](C)N(C)C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1 ZINC000822228828 606669701 /nfs/dbraw/zinc/66/97/01/606669701.db2.gz GIQYOYKBOVHCBJ-NSHDSACASA-N -1 3 357.364 3.287 20 0 FGADHM CC(C)CN(Cc1ccccc1)C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820093476 606670986 /nfs/dbraw/zinc/67/09/86/606670986.db2.gz XRONADSFDGPXBQ-UHFFFAOYSA-N -1 3 371.391 3.443 20 0 FGADHM CC(C)CN(Cc1ccccc1)C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820093476 606670987 /nfs/dbraw/zinc/67/09/87/606670987.db2.gz XRONADSFDGPXBQ-UHFFFAOYSA-N -1 3 371.391 3.443 20 0 FGADHM CC(C)C[C@H](C)OCCC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000820056756 606673488 /nfs/dbraw/zinc/67/34/88/606673488.db2.gz ROMUNKHCQHZGDW-ZDUSSCGKSA-N -1 3 362.478 3.203 20 0 FGADHM CC(C)C[C@H](C)OCCC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000820056756 606673489 /nfs/dbraw/zinc/67/34/89/606673489.db2.gz ROMUNKHCQHZGDW-ZDUSSCGKSA-N -1 3 362.478 3.203 20 0 FGADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)CCO[C@@H](C)CC(C)C)s1 ZINC000821466678 606674734 /nfs/dbraw/zinc/67/47/34/606674734.db2.gz YUQJKOXSARPMJI-NSHDSACASA-N -1 3 351.476 3.270 20 0 FGADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)CCO[C@@H](C)CC(C)C)s1 ZINC000821466678 606674735 /nfs/dbraw/zinc/67/47/35/606674735.db2.gz YUQJKOXSARPMJI-NSHDSACASA-N -1 3 351.476 3.270 20 0 FGADHM CCOc1cccc([C@@H](C)NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c1 ZINC000821427437 606675054 /nfs/dbraw/zinc/67/50/54/606675054.db2.gz SQKJYZJRMYHCBA-SNVBAGLBSA-N -1 3 373.363 3.035 20 0 FGADHM CCOc1cccc([C@@H](C)NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c1 ZINC000821427437 606675055 /nfs/dbraw/zinc/67/50/55/606675055.db2.gz SQKJYZJRMYHCBA-SNVBAGLBSA-N -1 3 373.363 3.035 20 0 FGADHM Cc1cccc(C(C)(C)CNC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c1 ZINC000822288647 606675491 /nfs/dbraw/zinc/67/54/91/606675491.db2.gz FFXDYLZREPKOTH-UHFFFAOYSA-N -1 3 371.391 3.161 20 0 FGADHM Cc1cccc(C(C)(C)CNC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c1 ZINC000822288647 606675492 /nfs/dbraw/zinc/67/54/92/606675492.db2.gz FFXDYLZREPKOTH-UHFFFAOYSA-N -1 3 371.391 3.161 20 0 FGADHM Cc1ccc(F)c2c1CCCN2C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000822241449 606679338 /nfs/dbraw/zinc/67/93/38/606679338.db2.gz XCLPLYJTBGTITM-UHFFFAOYSA-N -1 3 373.338 3.185 20 0 FGADHM Cc1ccc(F)c2c1CCCN2C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000822241449 606679339 /nfs/dbraw/zinc/67/93/39/606679339.db2.gz XCLPLYJTBGTITM-UHFFFAOYSA-N -1 3 373.338 3.185 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)Nc1nc2c(cccc2Cl)[nH]1 ZINC000822937049 606689200 /nfs/dbraw/zinc/68/92/00/606689200.db2.gz ZFGVLDSBCBIRPI-HJWRWDBZSA-N -1 3 365.784 3.048 20 0 FGADHM CC[C@H]1CCN(C(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)C1 ZINC000820988315 606693194 /nfs/dbraw/zinc/69/31/94/606693194.db2.gz FKVQZPWQLYMSBY-AWEZNQCLSA-N -1 3 362.437 3.482 20 0 FGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N1CC[C@H](c2ccc(F)cc2)C1 ZINC000823359345 606696215 /nfs/dbraw/zinc/69/62/15/606696215.db2.gz MDFYCTXXLGQOIG-AWEZNQCLSA-N -1 3 352.373 3.027 20 0 FGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N1CC[C@H](c2ccc(F)cc2)C1 ZINC000823359345 606696216 /nfs/dbraw/zinc/69/62/16/606696216.db2.gz MDFYCTXXLGQOIG-AWEZNQCLSA-N -1 3 352.373 3.027 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CC[C@H](c2ccc(F)cc2)C1 ZINC000822217627 606696785 /nfs/dbraw/zinc/69/67/85/606696785.db2.gz KAWYTCYKWBADMX-HNNXBMFYSA-N -1 3 366.400 3.336 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CC[C@H](c2ccc(F)cc2)C1 ZINC000822217627 606696786 /nfs/dbraw/zinc/69/67/86/606696786.db2.gz KAWYTCYKWBADMX-HNNXBMFYSA-N -1 3 366.400 3.336 20 0 FGADHM Cc1ccc([C@@H](C)NC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1F ZINC000822228623 606696802 /nfs/dbraw/zinc/69/68/02/606696802.db2.gz ARIANKAUVYBHRV-SNVBAGLBSA-N -1 3 358.352 3.336 20 0 FGADHM Cc1ccc([C@@H](C)NC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1F ZINC000822228623 606696803 /nfs/dbraw/zinc/69/68/03/606696803.db2.gz ARIANKAUVYBHRV-SNVBAGLBSA-N -1 3 358.352 3.336 20 0 FGADHM CCc1cccc(C)c1NCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000821492280 606698160 /nfs/dbraw/zinc/69/81/60/606698160.db2.gz KDEBCKUODXQCJH-UHFFFAOYSA-N -1 3 361.409 3.400 20 0 FGADHM CCc1cccc(C)c1NCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000821492280 606698162 /nfs/dbraw/zinc/69/81/62/606698162.db2.gz KDEBCKUODXQCJH-UHFFFAOYSA-N -1 3 361.409 3.400 20 0 FGADHM Cc1cc(C)n(-c2ccccc2CNc2cccc(F)c2-c2nnn[n-]2)n1 ZINC000822197577 606722871 /nfs/dbraw/zinc/72/28/71/606722871.db2.gz GQLWHEBBIAYWOY-UHFFFAOYSA-N -1 3 363.400 3.420 20 0 FGADHM Cc1cc(C)n(-c2ccccc2CNc2cccc(F)c2-c2nn[n-]n2)n1 ZINC000822197577 606722873 /nfs/dbraw/zinc/72/28/73/606722873.db2.gz GQLWHEBBIAYWOY-UHFFFAOYSA-N -1 3 363.400 3.420 20 0 FGADHM Cc1cc(OCc2cccc(-c3nnn[n-]3)c2)ccc1NC(=O)C1(C)CC1 ZINC000822211608 606726136 /nfs/dbraw/zinc/72/61/36/606726136.db2.gz HISIJSKEMZETCO-UHFFFAOYSA-N -1 3 363.421 3.493 20 0 FGADHM Cc1cc(OCc2cccc(-c3nn[n-]n3)c2)ccc1NC(=O)C1(C)CC1 ZINC000822211608 606726137 /nfs/dbraw/zinc/72/61/37/606726137.db2.gz HISIJSKEMZETCO-UHFFFAOYSA-N -1 3 363.421 3.493 20 0 FGADHM Cc1ccc(CNCc2ccc(-c3nnn[n-]3)o2)c(OCCC(C)C)c1 ZINC000822238773 606729722 /nfs/dbraw/zinc/72/97/22/606729722.db2.gz 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CCc1ccccc1NC(=O)COc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821496813 606782456 /nfs/dbraw/zinc/78/24/56/606782456.db2.gz JRXQNXIMQANLPK-UHFFFAOYSA-N -1 3 357.801 3.100 20 0 FGADHM CCc1ccccc1NC(=O)COc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821496813 606782458 /nfs/dbraw/zinc/78/24/58/606782458.db2.gz JRXQNXIMQANLPK-UHFFFAOYSA-N -1 3 357.801 3.100 20 0 FGADHM Clc1ccc(-c2nnn[n-]2)c(OCc2nc(-c3cccs3)no2)c1 ZINC000822573631 606783045 /nfs/dbraw/zinc/78/30/45/606783045.db2.gz CLRQXCYONBJZHR-UHFFFAOYSA-N -1 3 360.786 3.211 20 0 FGADHM Clc1ccc(-c2nn[n-]n2)c(OCc2nc(-c3cccs3)no2)c1 ZINC000822573631 606783047 /nfs/dbraw/zinc/78/30/47/606783047.db2.gz CLRQXCYONBJZHR-UHFFFAOYSA-N -1 3 360.786 3.211 20 0 FGADHM Cc1ccc(CC(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c(Cl)c1 ZINC000822232772 606787234 /nfs/dbraw/zinc/78/72/34/606787234.db2.gz ASKMVGOZOPZAJR-LBPRGKRZSA-N -1 3 355.829 3.248 20 0 FGADHM Cc1ccc(CC(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC000822232772 606787235 /nfs/dbraw/zinc/78/72/35/606787235.db2.gz ASKMVGOZOPZAJR-LBPRGKRZSA-N -1 3 355.829 3.248 20 0 FGADHM Cc1ccc(CC(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)c(Cl)c1 ZINC000822232992 606788383 /nfs/dbraw/zinc/78/83/83/606788383.db2.gz GBWOMDJJIHHVMI-UHFFFAOYSA-N -1 3 355.829 3.030 20 0 FGADHM Cc1ccc(CC(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC000822232992 606788384 /nfs/dbraw/zinc/78/83/84/606788384.db2.gz GBWOMDJJIHHVMI-UHFFFAOYSA-N -1 3 355.829 3.030 20 0 FGADHM CCOc1cccc(CNc2ccc(-c3nn[n-]n3)cc2)c1OC(F)F ZINC000821430865 606799031 /nfs/dbraw/zinc/79/90/31/606799031.db2.gz GXKKJAYKZXIFTJ-UHFFFAOYSA-N -1 3 361.352 3.479 20 0 FGADHM O=C(Nc1sc(-c2ccccc2)cc1-c1nnn[n-]1)[C@@H]1CCSC1 ZINC000823382642 606812168 /nfs/dbraw/zinc/81/21/68/606812168.db2.gz BPNSBDLIPYAZGG-LLVKDONJSA-N -1 3 357.464 3.287 20 0 FGADHM O=C(Nc1sc(-c2ccccc2)cc1-c1nn[n-]n1)[C@@H]1CCSC1 ZINC000823382642 606812170 /nfs/dbraw/zinc/81/21/70/606812170.db2.gz BPNSBDLIPYAZGG-LLVKDONJSA-N -1 3 357.464 3.287 20 0 FGADHM Cn1c2ccccc2nc1SCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000822604529 606836361 /nfs/dbraw/zinc/83/63/61/606836361.db2.gz GTCODLAALVSRRN-UHFFFAOYSA-N -1 3 366.450 3.315 20 0 FGADHM Cn1c2ccccc2nc1SCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000822604529 606836364 /nfs/dbraw/zinc/83/63/64/606836364.db2.gz GTCODLAALVSRRN-UHFFFAOYSA-N -1 3 366.450 3.315 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OCCSCCCOC(C)(C)C ZINC000821702045 606849596 /nfs/dbraw/zinc/84/95/96/606849596.db2.gz FSUAPCSGFXBWSL-UHFFFAOYSA-N -1 3 366.487 3.193 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OCCSCCCOC(C)(C)C ZINC000821702045 606849597 /nfs/dbraw/zinc/84/95/97/606849597.db2.gz FSUAPCSGFXBWSL-UHFFFAOYSA-N -1 3 366.487 3.193 20 0 FGADHM C[C@@H]1CCCC[C@@H]1NC(=O)CSc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820702852 606851577 /nfs/dbraw/zinc/85/15/77/606851577.db2.gz APJNBUIXJJUDNJ-MFKMUULPSA-N -1 3 365.890 3.307 20 0 FGADHM C[C@@H]1CCCC[C@@H]1NC(=O)CSc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820702852 606851579 /nfs/dbraw/zinc/85/15/79/606851579.db2.gz APJNBUIXJJUDNJ-MFKMUULPSA-N -1 3 365.890 3.307 20 0 FGADHM CCC[C@@H]1CCCN(C(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)C1 ZINC000821040675 606872795 /nfs/dbraw/zinc/87/27/95/606872795.db2.gz PCCLWUWAWZOYAU-MRXNPFEDSA-N -1 3 371.485 3.455 20 0 FGADHM CCC[C@@H]1CCCN(C(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)C1 ZINC000821040675 606872797 /nfs/dbraw/zinc/87/27/97/606872797.db2.gz PCCLWUWAWZOYAU-MRXNPFEDSA-N -1 3 371.485 3.455 20 0 FGADHM Cc1ccc2c(c1)[C@@H](Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)CO2 ZINC000822275649 606878619 /nfs/dbraw/zinc/87/86/19/606878619.db2.gz YALXZYGYQYWBPJ-NSHDSACASA-N -1 3 362.315 3.135 20 0 FGADHM Cc1ccc2c(c1)[C@@H](Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)CO2 ZINC000822275649 606878623 /nfs/dbraw/zinc/87/86/23/606878623.db2.gz YALXZYGYQYWBPJ-NSHDSACASA-N -1 3 362.315 3.135 20 0 FGADHM CCS[C@H]1CC[C@@H](N(C)C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)C1 ZINC000821449974 606906040 /nfs/dbraw/zinc/90/60/40/606906040.db2.gz YXNVVWUQOLGBJX-KGLIPLIRSA-N -1 3 360.487 3.313 20 0 FGADHM CCS[C@H]1CC[C@@H](N(C)C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)C1 ZINC000821449974 606906042 /nfs/dbraw/zinc/90/60/42/606906042.db2.gz YXNVVWUQOLGBJX-KGLIPLIRSA-N -1 3 360.487 3.313 20 0 FGADHM O[C@H](CN1CCCc2cc(Cl)ccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000823682160 606920015 /nfs/dbraw/zinc/92/00/15/606920015.db2.gz NFWPEQIYXHKKSO-QGZVFWFLSA-N -1 3 355.829 3.006 20 0 FGADHM O[C@H](CN1CCCc2cc(Cl)ccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000823682160 606920016 /nfs/dbraw/zinc/92/00/16/606920016.db2.gz NFWPEQIYXHKKSO-QGZVFWFLSA-N -1 3 355.829 3.006 20 0 FGADHM C[C@@H](OC(=O)COC/C=C/c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820497044 606924529 /nfs/dbraw/zinc/92/45/29/606924529.db2.gz OYKZPQWYFQPBCP-SBJJXXPASA-N -1 3 364.405 3.201 20 0 FGADHM C[C@@H](OC(=O)COC/C=C/c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820497044 606924531 /nfs/dbraw/zinc/92/45/31/606924531.db2.gz OYKZPQWYFQPBCP-SBJJXXPASA-N -1 3 364.405 3.201 20 0 FGADHM CC(=O)Nc1c(C)ccc(NCc2ccc(F)c(-c3nnn[n-]3)c2)c1C ZINC000819810779 606926937 /nfs/dbraw/zinc/92/69/37/606926937.db2.gz PQQMTQJXJMRZCM-UHFFFAOYSA-N -1 3 354.389 3.193 20 0 FGADHM CC(=O)Nc1c(C)ccc(NCc2ccc(F)c(-c3nn[n-]n3)c2)c1C ZINC000819810779 606926938 /nfs/dbraw/zinc/92/69/38/606926938.db2.gz PQQMTQJXJMRZCM-UHFFFAOYSA-N -1 3 354.389 3.193 20 0 FGADHM CC(C)c1csc(CNC(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000820198448 606931459 /nfs/dbraw/zinc/93/14/59/606931459.db2.gz WAPPVSIAUOBZOC-LLVKDONJSA-N -1 3 371.470 3.007 20 0 FGADHM CC(C)c1csc(CNC(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000820198448 606931460 /nfs/dbraw/zinc/93/14/60/606931460.db2.gz WAPPVSIAUOBZOC-LLVKDONJSA-N -1 3 371.470 3.007 20 0 FGADHM CC(C)c1csc(CNC(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000820198449 606931586 /nfs/dbraw/zinc/93/15/86/606931586.db2.gz WAPPVSIAUOBZOC-NSHDSACASA-N -1 3 371.470 3.007 20 0 FGADHM CC(C)c1csc(CNC(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000820198449 606931588 /nfs/dbraw/zinc/93/15/88/606931588.db2.gz WAPPVSIAUOBZOC-NSHDSACASA-N -1 3 371.470 3.007 20 0 FGADHM CC(C)C1CCC(NC(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000820037825 606932768 /nfs/dbraw/zinc/93/27/68/606932768.db2.gz ISSFLPOCEFRFFV-UHFFFAOYSA-N -1 3 356.474 3.223 20 0 FGADHM CC(C)C1CCC(NC(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000820037825 606932770 /nfs/dbraw/zinc/93/27/70/606932770.db2.gz ISSFLPOCEFRFFV-UHFFFAOYSA-N -1 3 356.474 3.223 20 0 FGADHM CCc1nnc(Sc2ccc(COC)cc2)c(-c2nnn[n-]2)c1CC ZINC000821548374 606942310 /nfs/dbraw/zinc/94/23/10/606942310.db2.gz LEBODKXGPMOOKE-UHFFFAOYSA-N -1 3 356.455 3.079 20 0 FGADHM CCc1nnc(Sc2ccc(COC)cc2)c(-c2nn[n-]n2)c1CC ZINC000821548374 606942312 /nfs/dbraw/zinc/94/23/12/606942312.db2.gz LEBODKXGPMOOKE-UHFFFAOYSA-N -1 3 356.455 3.079 20 0 FGADHM CC(C)c1nc(C(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)cs1 ZINC000820203306 606960485 /nfs/dbraw/zinc/96/04/85/606960485.db2.gz SBXGVMMXBSMRDS-UHFFFAOYSA-N -1 3 362.846 3.377 20 0 FGADHM CC(C)c1nc(C(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)cs1 ZINC000820203306 606960486 /nfs/dbraw/zinc/96/04/86/606960486.db2.gz SBXGVMMXBSMRDS-UHFFFAOYSA-N -1 3 362.846 3.377 20 0 FGADHM C[C@@H](C(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1)c1cccc(F)c1 ZINC000819857466 606962253 /nfs/dbraw/zinc/96/22/53/606962253.db2.gz RYEOEGGIVDHCSR-SNVBAGLBSA-N -1 3 359.792 3.426 20 0 FGADHM C[C@@H](C(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1)c1cccc(F)c1 ZINC000819857466 606962255 /nfs/dbraw/zinc/96/22/55/606962255.db2.gz RYEOEGGIVDHCSR-SNVBAGLBSA-N -1 3 359.792 3.426 20 0 FGADHM CCOc1ccc(NC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821422060 606976984 /nfs/dbraw/zinc/97/69/84/606976984.db2.gz LFXVPSVNTKDKHC-UHFFFAOYSA-N -1 3 367.409 3.062 20 0 FGADHM CCOc1ccc(NC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821422060 606976986 /nfs/dbraw/zinc/97/69/86/606976986.db2.gz LFXVPSVNTKDKHC-UHFFFAOYSA-N -1 3 367.409 3.062 20 0 FGADHM CCc1ccc(NC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821487532 606978965 /nfs/dbraw/zinc/97/89/65/606978965.db2.gz VXOLEAPUIOAYTQ-UHFFFAOYSA-N -1 3 351.410 3.225 20 0 FGADHM CCc1ccc(NC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821487532 606978966 /nfs/dbraw/zinc/97/89/66/606978966.db2.gz VXOLEAPUIOAYTQ-UHFFFAOYSA-N -1 3 351.410 3.225 20 0 FGADHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc2c(c1)CCC2 ZINC000820001322 606979965 /nfs/dbraw/zinc/97/99/65/606979965.db2.gz JECZDWUOHIWWIT-UHFFFAOYSA-N -1 3 363.421 3.152 20 0 FGADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc2c(c1)CCC2 ZINC000820001322 606979968 /nfs/dbraw/zinc/97/99/68/606979968.db2.gz JECZDWUOHIWWIT-UHFFFAOYSA-N -1 3 363.421 3.152 20 0 FGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NCc1cccc2nsnc21 ZINC000820155294 606983613 /nfs/dbraw/zinc/98/36/13/606983613.db2.gz NIFOOPGXETUMCL-UHFFFAOYSA-N -1 3 367.438 3.271 20 0 FGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NCc1cccc2nsnc21 ZINC000820155294 606983615 /nfs/dbraw/zinc/98/36/15/606983615.db2.gz NIFOOPGXETUMCL-UHFFFAOYSA-N -1 3 367.438 3.271 20 0 FGADHM Cc1cc(C(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)c2ccccc2n1 ZINC000822184277 606988710 /nfs/dbraw/zinc/98/87/10/606988710.db2.gz RALMNHVQCYMWPW-UHFFFAOYSA-N -1 3 363.352 3.219 20 0 FGADHM Cc1cc(C(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)c2ccccc2n1 ZINC000822184277 606988712 /nfs/dbraw/zinc/98/87/12/606988712.db2.gz RALMNHVQCYMWPW-UHFFFAOYSA-N -1 3 363.352 3.219 20 0 FGADHM CCN(Cc1ccccc1)C(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000821222639 606988945 /nfs/dbraw/zinc/98/89/45/606988945.db2.gz VVJDZQNZQIQEQO-UHFFFAOYSA-N -1 3 365.437 3.073 20 0 FGADHM CCN(Cc1ccccc1)C(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000821222639 606988946 /nfs/dbraw/zinc/98/89/46/606988946.db2.gz VVJDZQNZQIQEQO-UHFFFAOYSA-N -1 3 365.437 3.073 20 0 FGADHM O=C(C=Cc1ccc(Cl)s1)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822928088 606992039 /nfs/dbraw/zinc/99/20/39/606992039.db2.gz DIMMIPGUQTUQHE-ZZXKWVIFSA-N -1 3 364.789 3.477 20 0 FGADHM O=C(C=Cc1ccc(Cl)s1)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822928088 606992040 /nfs/dbraw/zinc/99/20/40/606992040.db2.gz DIMMIPGUQTUQHE-ZZXKWVIFSA-N -1 3 364.789 3.477 20 0 FGADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Cc1ccc(C(C)(C)C)cc1 ZINC000821608863 606992167 /nfs/dbraw/zinc/99/21/67/606992167.db2.gz YAGHMGKUEQTFNQ-UHFFFAOYSA-N -1 3 363.465 3.365 20 0 FGADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Cc1ccc(C(C)(C)C)cc1 ZINC000821608863 606992169 /nfs/dbraw/zinc/99/21/69/606992169.db2.gz YAGHMGKUEQTFNQ-UHFFFAOYSA-N -1 3 363.465 3.365 20 0 FGADHM CC(C)c1cccc(OCC(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000820198582 606995234 /nfs/dbraw/zinc/99/52/34/606995234.db2.gz ZOVINYAPSDNMSN-UHFFFAOYSA-N -1 3 370.384 3.251 20 0 FGADHM CC(C)c1cccc(OCC(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000820198582 606995235 /nfs/dbraw/zinc/99/52/35/606995235.db2.gz ZOVINYAPSDNMSN-UHFFFAOYSA-N -1 3 370.384 3.251 20 0 FGADHM O=C(CCCOCc1ccccc1)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822958694 606997181 /nfs/dbraw/zinc/99/71/81/606997181.db2.gz BVXLHSNBUXSQRW-UHFFFAOYSA-N -1 3 370.384 3.046 20 0 FGADHM O=C(CCCOCc1ccccc1)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822958694 606997183 /nfs/dbraw/zinc/99/71/83/606997183.db2.gz BVXLHSNBUXSQRW-UHFFFAOYSA-N -1 3 370.384 3.046 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000823422591 607002623 /nfs/dbraw/zinc/00/26/23/607002623.db2.gz XLFMWEGWKJOAAX-VXGBXAGGSA-N -1 3 374.322 3.131 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000823422591 607002625 /nfs/dbraw/zinc/00/26/25/607002625.db2.gz XLFMWEGWKJOAAX-VXGBXAGGSA-N -1 3 374.322 3.131 20 0 FGADHM Cc1ccc(/C=C/CC(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000822233189 607003763 /nfs/dbraw/zinc/00/37/63/607003763.db2.gz JUDDLIJOFNOETD-NSCUHMNNSA-N -1 3 352.369 3.461 20 0 FGADHM Cc1ccc(/C=C/CC(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000822233189 607003765 /nfs/dbraw/zinc/00/37/65/607003765.db2.gz JUDDLIJOFNOETD-NSCUHMNNSA-N -1 3 352.369 3.461 20 0 FGADHM Cc1c([C@@H](C)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)nnn1-c1ccccc1 ZINC000822020823 607015622 /nfs/dbraw/zinc/01/56/22/607015622.db2.gz KHVACAFANIMLPV-ZIAGYGMSSA-N -1 3 374.452 3.168 20 0 FGADHM Clc1ncccc1COc1ccc(Br)cc1-c1nnn[n-]1 ZINC000822591457 607032311 /nfs/dbraw/zinc/03/23/11/607032311.db2.gz SKJIPWSQNBMFPZ-UHFFFAOYSA-N -1 3 366.606 3.257 20 0 FGADHM Clc1ncccc1COc1ccc(Br)cc1-c1nn[n-]n1 ZINC000822591457 607032313 /nfs/dbraw/zinc/03/23/13/607032313.db2.gz SKJIPWSQNBMFPZ-UHFFFAOYSA-N -1 3 366.606 3.257 20 0 FGADHM O[C@@]12CCCC[C@@H]1CN(c1ccc(-c3nnn[n-]3)c(C(F)(F)F)c1)CC2 ZINC000823699804 607033097 /nfs/dbraw/zinc/03/30/97/607033097.db2.gz YAOJIYOTLUUGSP-BDJLRTHQSA-N -1 3 367.375 3.017 20 0 FGADHM O[C@@]12CCCC[C@@H]1CN(c1ccc(-c3nn[n-]n3)c(C(F)(F)F)c1)CC2 ZINC000823699804 607033099 /nfs/dbraw/zinc/03/30/99/607033099.db2.gz YAOJIYOTLUUGSP-BDJLRTHQSA-N -1 3 367.375 3.017 20 0 FGADHM COc1cccc([C@H]2CN(c3ccc(Cl)cc3-c3nnn[n-]3)CCO2)c1 ZINC000821862775 607039870 /nfs/dbraw/zinc/03/98/70/607039870.db2.gz FBUXULYVAKLUCI-QGZVFWFLSA-N -1 3 371.828 3.107 20 0 FGADHM COc1cccc([C@H]2CN(c3ccc(Cl)cc3-c3nn[n-]n3)CCO2)c1 ZINC000821862775 607039872 /nfs/dbraw/zinc/03/98/72/607039872.db2.gz FBUXULYVAKLUCI-QGZVFWFLSA-N -1 3 371.828 3.107 20 0 FGADHM CC(C)(C)OC1CCN(c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)CC1 ZINC000819946761 607043901 /nfs/dbraw/zinc/04/39/01/607043901.db2.gz PHOUGTAJDVZIQM-UHFFFAOYSA-N -1 3 370.379 3.064 20 0 FGADHM CC(C)(C)OC1CCN(c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)CC1 ZINC000819946761 607043902 /nfs/dbraw/zinc/04/39/02/607043902.db2.gz PHOUGTAJDVZIQM-UHFFFAOYSA-N -1 3 370.379 3.064 20 0 FGADHM O=C(c1cncc(F)c1)N(Cc1ccccc1)c1ccccc1-c1nnn[n-]1 ZINC000823498251 607055807 /nfs/dbraw/zinc/05/58/07/607055807.db2.gz IXAGRGSFONUURR-UHFFFAOYSA-N -1 3 374.379 3.248 20 0 FGADHM O=C(c1cncc(F)c1)N(Cc1ccccc1)c1ccccc1-c1nn[n-]n1 ZINC000823498251 607055808 /nfs/dbraw/zinc/05/58/08/607055808.db2.gz IXAGRGSFONUURR-UHFFFAOYSA-N -1 3 374.379 3.248 20 0 FGADHM CCC1(CC)[C@H](OC)C[C@H]1N(C)C(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000820955453 607066473 /nfs/dbraw/zinc/06/64/73/607066473.db2.gz CBXZOMYPGNMYPE-HZPDHXFCSA-N -1 3 372.473 3.233 20 0 FGADHM CCC1(CC)[C@H](OC)C[C@H]1N(C)C(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000820955453 607066475 /nfs/dbraw/zinc/06/64/75/607066475.db2.gz CBXZOMYPGNMYPE-HZPDHXFCSA-N -1 3 372.473 3.233 20 0 FGADHM C[C@H]1CN(Cc2cc(F)ccc2-c2nnn[n-]2)C[C@H](c2ccc(F)cc2)O1 ZINC000820758753 607067514 /nfs/dbraw/zinc/06/75/14/607067514.db2.gz CNODKQQYGYBBIQ-KPZWWZAWSA-N -1 3 371.391 3.107 20 0 FGADHM C[C@H]1CN(Cc2cc(F)ccc2-c2nn[n-]n2)C[C@H](c2ccc(F)cc2)O1 ZINC000820758753 607067516 /nfs/dbraw/zinc/06/75/16/607067516.db2.gz CNODKQQYGYBBIQ-KPZWWZAWSA-N -1 3 371.391 3.107 20 0 FGADHM Cc1nc2ccccc2cc1C(=O)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000822463399 607075418 /nfs/dbraw/zinc/07/54/18/607075418.db2.gz QBAITGTVZXSGAY-UHFFFAOYSA-N -1 3 363.352 3.219 20 0 FGADHM Cc1nc2ccccc2cc1C(=O)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000822463399 607075420 /nfs/dbraw/zinc/07/54/20/607075420.db2.gz QBAITGTVZXSGAY-UHFFFAOYSA-N -1 3 363.352 3.219 20 0 FGADHM Cn1c(Cl)c(Cl)cc1C(=O)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000822596466 607077527 /nfs/dbraw/zinc/07/75/27/607077527.db2.gz KTNXDQGTOKOPLB-UHFFFAOYSA-N -1 3 370.171 3.008 20 0 FGADHM Cn1c(Cl)c(Cl)cc1C(=O)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000822596466 607077529 /nfs/dbraw/zinc/07/75/29/607077529.db2.gz KTNXDQGTOKOPLB-UHFFFAOYSA-N -1 3 370.171 3.008 20 0 FGADHM C[C@H](Cc1ccccc1)OC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000820299796 607082323 /nfs/dbraw/zinc/08/23/23/607082323.db2.gz KPNWJJXNSWFQTD-CQSZACIVSA-N -1 3 366.421 3.199 20 0 FGADHM C[C@H](Cc1ccccc1)OC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000820299796 607082325 /nfs/dbraw/zinc/08/23/25/607082325.db2.gz KPNWJJXNSWFQTD-CQSZACIVSA-N -1 3 366.421 3.199 20 0 FGADHM C[C@@H](c1ccccc1)n1ccc(NC(=O)Nc2cccc(-c3nnn[n-]3)c2)n1 ZINC000820570374 607115471 /nfs/dbraw/zinc/11/54/71/607115471.db2.gz INYCDTDJXHVGFG-ZDUSSCGKSA-N -1 3 374.408 3.317 20 0 FGADHM C[C@@H](c1ccccc1)n1ccc(NC(=O)Nc2cccc(-c3nn[n-]n3)c2)n1 ZINC000820570374 607115473 /nfs/dbraw/zinc/11/54/73/607115473.db2.gz INYCDTDJXHVGFG-ZDUSSCGKSA-N -1 3 374.408 3.317 20 0 FGADHM FC1(F)CCC[C@@H](NC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000822736976 607121515 /nfs/dbraw/zinc/12/15/15/607121515.db2.gz NDCIOJKWOFKDCG-SECBINFHSA-N -1 3 372.832 3.384 20 0 FGADHM FC1(F)CCC[C@@H](NC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000822736976 607121517 /nfs/dbraw/zinc/12/15/17/607121517.db2.gz NDCIOJKWOFKDCG-SECBINFHSA-N -1 3 372.832 3.384 20 0 FGADHM CO[C@@H](C)c1nc(CNc2ccc(-c3nn[n-]n3)cc2Cl)cs1 ZINC000821674974 607126337 /nfs/dbraw/zinc/12/63/37/607126337.db2.gz AKKQMFIZMQRLAK-QMMMGPOBSA-N -1 3 350.835 3.296 20 0 FGADHM O=C(NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1)[C@@H]1CC12CCC2 ZINC000823254400 607129472 /nfs/dbraw/zinc/12/94/72/607129472.db2.gz SVOZWYLMLFLYNT-AWEZNQCLSA-N -1 3 365.462 3.402 20 0 FGADHM Cc1coc(-c2ccc(C)c(NC(=O)Cc3cccc(-c4nnn[n-]4)c3)c2)n1 ZINC000822403708 607132168 /nfs/dbraw/zinc/13/21/68/607132168.db2.gz SEVQTLIQXWWXDC-UHFFFAOYSA-N -1 3 374.404 3.320 20 0 FGADHM Cc1coc(-c2ccc(C)c(NC(=O)Cc3cccc(-c4nn[n-]n4)c3)c2)n1 ZINC000822403708 607132169 /nfs/dbraw/zinc/13/21/69/607132169.db2.gz SEVQTLIQXWWXDC-UHFFFAOYSA-N -1 3 374.404 3.320 20 0 FGADHM CCc1cccc(CC)c1NC(=O)COc1ccc(-c2nnn[n-]2)cc1F ZINC000821492905 607139769 /nfs/dbraw/zinc/13/97/69/607139769.db2.gz YZMDPLLWKQWYIU-UHFFFAOYSA-N -1 3 369.400 3.148 20 0 FGADHM CCc1cccc(CC)c1NC(=O)COc1ccc(-c2nn[n-]n2)cc1F ZINC000821492905 607139770 /nfs/dbraw/zinc/13/97/70/607139770.db2.gz YZMDPLLWKQWYIU-UHFFFAOYSA-N -1 3 369.400 3.148 20 0 FGADHM Fc1cc(-c2nnn[n-]2)ccc1OCc1nc(-c2ccc(Cl)cc2)no1 ZINC000822748129 607140360 /nfs/dbraw/zinc/14/03/60/607140360.db2.gz JFQGWYOMRYBZFP-UHFFFAOYSA-N -1 3 372.747 3.288 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1OCc1nc(-c2ccc(Cl)cc2)no1 ZINC000822748129 607140361 /nfs/dbraw/zinc/14/03/61/607140361.db2.gz JFQGWYOMRYBZFP-UHFFFAOYSA-N -1 3 372.747 3.288 20 0 FGADHM C[C@H](SCc1ccc(-c2nnn[n-]2)cc1)c1cn(-c2ccccc2)nn1 ZINC000820550197 607150174 /nfs/dbraw/zinc/15/01/74/607150174.db2.gz VSPCMPLWJZFJOR-ZDUSSCGKSA-N -1 3 363.450 3.442 20 0 FGADHM C[C@H](SCc1ccc(-c2nn[n-]n2)cc1)c1cn(-c2ccccc2)nn1 ZINC000820550197 607150175 /nfs/dbraw/zinc/15/01/75/607150175.db2.gz VSPCMPLWJZFJOR-ZDUSSCGKSA-N -1 3 363.450 3.442 20 0 FGADHM C[C@@H](OC1CCCCCC1)C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820519973 607152276 /nfs/dbraw/zinc/15/22/76/607152276.db2.gz XSWPPRCRQPWOTQ-ZIAGYGMSSA-N -1 3 357.458 3.172 20 0 FGADHM C[C@@H](OC1CCCCCC1)C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820519973 607152293 /nfs/dbraw/zinc/15/22/93/607152293.db2.gz XSWPPRCRQPWOTQ-ZIAGYGMSSA-N -1 3 357.458 3.172 20 0 FGADHM CCn1c(COc2ccc(-c3nnn[n-]3)cc2F)nc2c1cccc2F ZINC000821563766 607171482 /nfs/dbraw/zinc/17/14/82/607171482.db2.gz DUHBSGYUUKXGEV-UHFFFAOYSA-N -1 3 356.336 3.094 20 0 FGADHM CCn1c(COc2ccc(-c3nn[n-]n3)cc2F)nc2c1cccc2F ZINC000821563766 607171483 /nfs/dbraw/zinc/17/14/83/607171483.db2.gz DUHBSGYUUKXGEV-UHFFFAOYSA-N -1 3 356.336 3.094 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1OCc1nnc(-c2ccccc2Cl)o1 ZINC000822137926 607172805 /nfs/dbraw/zinc/17/28/05/607172805.db2.gz YADYHNXHLPWYDN-UHFFFAOYSA-N -1 3 368.784 3.458 20 0 FGADHM c1cncc(-c2cccc(CN(c3ncccc3-c3nnn[n-]3)C3CC3)c2)c1 ZINC000823816240 607176076 /nfs/dbraw/zinc/17/60/76/607176076.db2.gz QKMHXHCEACRUQU-UHFFFAOYSA-N -1 3 369.432 3.493 20 0 FGADHM c1cncc(-c2cccc(CN(c3ncccc3-c3nn[n-]n3)C3CC3)c2)c1 ZINC000823816240 607176077 /nfs/dbraw/zinc/17/60/77/607176077.db2.gz QKMHXHCEACRUQU-UHFFFAOYSA-N -1 3 369.432 3.493 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1nc(Cl)ccc1Cl ZINC000823319062 607190464 /nfs/dbraw/zinc/19/04/64/607190464.db2.gz QALQOBYEEPUFAE-UHFFFAOYSA-N -1 3 369.599 3.474 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1nc(Cl)ccc1Cl ZINC000823319062 607190465 /nfs/dbraw/zinc/19/04/65/607190465.db2.gz QALQOBYEEPUFAE-UHFFFAOYSA-N -1 3 369.599 3.474 20 0 FGADHM CCCCC[C@@H]1CCCN1C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC000821050760 607194165 /nfs/dbraw/zinc/19/41/65/607194165.db2.gz UDIAYKWDXGCCMB-CQSZACIVSA-N -1 3 358.446 3.452 20 0 FGADHM CCCCC[C@@H]1CCCN1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC000821050760 607194166 /nfs/dbraw/zinc/19/41/66/607194166.db2.gz UDIAYKWDXGCCMB-CQSZACIVSA-N -1 3 358.446 3.452 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)N[C@@H]1CCOC2(CCCCC2)C1 ZINC000823343775 607195276 /nfs/dbraw/zinc/19/52/76/607195276.db2.gz GTAOFZMLKCZOPB-CYBMUJFWSA-N -1 3 374.420 3.009 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)N[C@@H]1CCOC2(CCCCC2)C1 ZINC000823343775 607195277 /nfs/dbraw/zinc/19/52/77/607195277.db2.gz GTAOFZMLKCZOPB-CYBMUJFWSA-N -1 3 374.420 3.009 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N[C@H]1C[C@@H]1c1cccc(F)c1 ZINC000823319624 607196083 /nfs/dbraw/zinc/19/60/83/607196083.db2.gz WGOBQFRGTRZFHU-DOMZBBRYSA-N -1 3 372.791 3.337 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N[C@H]1C[C@@H]1c1cccc(F)c1 ZINC000823319624 607196084 /nfs/dbraw/zinc/19/60/84/607196084.db2.gz WGOBQFRGTRZFHU-DOMZBBRYSA-N -1 3 372.791 3.337 20 0 FGADHM Cc1ccc(CCNC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000822236426 607200906 /nfs/dbraw/zinc/20/09/06/607200906.db2.gz YUZSSWNTGSYIOG-UHFFFAOYSA-N -1 3 356.817 3.193 20 0 FGADHM Cc1ccc(CCNC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000822236426 607200907 /nfs/dbraw/zinc/20/09/07/607200907.db2.gz YUZSSWNTGSYIOG-UHFFFAOYSA-N -1 3 356.817 3.193 20 0 FGADHM Cc1nc([C@H](C)NC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cs1 ZINC000822427167 607201276 /nfs/dbraw/zinc/20/12/76/607201276.db2.gz DFTAZRHFQUJCSY-ZETCQYMHSA-N -1 3 363.834 3.168 20 0 FGADHM Cc1nc([C@H](C)NC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cs1 ZINC000822427167 607201277 /nfs/dbraw/zinc/20/12/77/607201277.db2.gz DFTAZRHFQUJCSY-ZETCQYMHSA-N -1 3 363.834 3.168 20 0 FGADHM CCS[C@@H]1CCC[C@H]1NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821456158 607204190 /nfs/dbraw/zinc/20/41/90/607204190.db2.gz NXWNRFYKXMXPGW-CHWSQXEVSA-N -1 3 366.878 3.316 20 0 FGADHM CCS[C@@H]1CCC[C@H]1NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821456158 607204191 /nfs/dbraw/zinc/20/41/91/607204191.db2.gz NXWNRFYKXMXPGW-CHWSQXEVSA-N -1 3 366.878 3.316 20 0 FGADHM O[C@H](CNc1cc(-c2nnn[n-]2)ccc1C(F)(F)F)c1ccc(F)cc1 ZINC000823690756 607228028 /nfs/dbraw/zinc/22/80/28/607228028.db2.gz SYVSMTKFDCOYND-CQSZACIVSA-N -1 3 367.306 3.170 20 0 FGADHM O[C@H](CNc1cc(-c2nn[n-]n2)ccc1C(F)(F)F)c1ccc(F)cc1 ZINC000823690756 607228029 /nfs/dbraw/zinc/22/80/29/607228029.db2.gz SYVSMTKFDCOYND-CQSZACIVSA-N -1 3 367.306 3.170 20 0 FGADHM COc1ccc(C=CC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000821786902 607240751 /nfs/dbraw/zinc/24/07/51/607240751.db2.gz LDDNGKQCGZCUPS-WTKPLQERSA-N -1 3 355.785 3.181 20 0 FGADHM COc1ccc(C=CC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000821786902 607240752 /nfs/dbraw/zinc/24/07/52/607240752.db2.gz LDDNGKQCGZCUPS-WTKPLQERSA-N -1 3 355.785 3.181 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1ccnc2ccccc21 ZINC000823318865 607243214 /nfs/dbraw/zinc/24/32/14/607243214.db2.gz MFUKSISVYSPCMV-UHFFFAOYSA-N -1 3 350.769 3.321 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1ccnc2ccccc21 ZINC000823318865 607243215 /nfs/dbraw/zinc/24/32/15/607243215.db2.gz MFUKSISVYSPCMV-UHFFFAOYSA-N -1 3 350.769 3.321 20 0 FGADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)c1ccc(C(F)(F)F)cc1 ZINC000823451733 607245124 /nfs/dbraw/zinc/24/51/24/607245124.db2.gz ZETDFLAELCMNMR-UHFFFAOYSA-N -1 3 352.247 3.244 20 0 FGADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)c1ccc(C(F)(F)F)cc1 ZINC000823451733 607245125 /nfs/dbraw/zinc/24/51/25/607245125.db2.gz ZETDFLAELCMNMR-UHFFFAOYSA-N -1 3 352.247 3.244 20 0 FGADHM O=C(C=Cc1nc2ccccc2s1)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000822937041 607245585 /nfs/dbraw/zinc/24/55/85/607245585.db2.gz ZBCULACFXLZWEW-BQYQJAHWSA-N -1 3 367.365 3.234 20 0 FGADHM O=C(C=Cc1nc2ccccc2s1)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000822937041 607245586 /nfs/dbraw/zinc/24/55/86/607245586.db2.gz ZBCULACFXLZWEW-BQYQJAHWSA-N -1 3 367.365 3.234 20 0 FGADHM O=C(C[C@H]1CCc2ccccc2C1)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000822945349 607245749 /nfs/dbraw/zinc/24/57/49/607245749.db2.gz BSCWOCSFPBRQTI-LBPRGKRZSA-N -1 3 352.369 3.106 20 0 FGADHM O=C(C[C@H]1CCc2ccccc2C1)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000822945349 607245750 /nfs/dbraw/zinc/24/57/50/607245750.db2.gz BSCWOCSFPBRQTI-LBPRGKRZSA-N -1 3 352.369 3.106 20 0 FGADHM CCc1cccc2c(CC(=O)Oc3ccc(-c4nnn[n-]4)cc3F)c[nH]c21 ZINC000821491907 607248745 /nfs/dbraw/zinc/24/87/45/607248745.db2.gz BWGVHEWTAXARLD-UHFFFAOYSA-N -1 3 365.368 3.198 20 0 FGADHM CCc1cccc2c(CC(=O)Oc3ccc(-c4nn[n-]n4)cc3F)c[nH]c21 ZINC000821491907 607248746 /nfs/dbraw/zinc/24/87/46/607248746.db2.gz BWGVHEWTAXARLD-UHFFFAOYSA-N -1 3 365.368 3.198 20 0 FGADHM O=C(Cc1ccc(C(F)(F)F)cc1)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000823082251 607248944 /nfs/dbraw/zinc/24/89/44/607248944.db2.gz FJJDAVLNMZRAJR-UHFFFAOYSA-N -1 3 366.274 3.173 20 0 FGADHM O=C(Cc1ccc(C(F)(F)F)cc1)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000823082251 607248945 /nfs/dbraw/zinc/24/89/45/607248945.db2.gz FJJDAVLNMZRAJR-UHFFFAOYSA-N -1 3 366.274 3.173 20 0 FGADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)C1(c2ccc(Cl)cc2)CC1 ZINC000823450252 607249237 /nfs/dbraw/zinc/24/92/37/607249237.db2.gz LZNMLLOFYIHLJA-UHFFFAOYSA-N -1 3 358.760 3.296 20 0 FGADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)C1(c2ccc(Cl)cc2)CC1 ZINC000823450252 607249238 /nfs/dbraw/zinc/24/92/38/607249238.db2.gz LZNMLLOFYIHLJA-UHFFFAOYSA-N -1 3 358.760 3.296 20 0 FGADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)[C@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000823450381 607249323 /nfs/dbraw/zinc/24/93/23/607249323.db2.gz PPOKQWWILQYQTI-OLZOCXBDSA-N -1 3 358.760 3.368 20 0 FGADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)[C@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000823450381 607249324 /nfs/dbraw/zinc/24/93/24/607249324.db2.gz PPOKQWWILQYQTI-OLZOCXBDSA-N -1 3 358.760 3.368 20 0 FGADHM CC[C@H](CSc1ccccc1)NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000825128122 607774465 /nfs/dbraw/zinc/77/44/65/607774465.db2.gz QXEMVRXJEHHJJI-GFCCVEGCSA-N -1 3 359.480 3.229 20 0 FGADHM CC[C@H](CSc1ccccc1)NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000825128122 607774466 /nfs/dbraw/zinc/77/44/66/607774466.db2.gz QXEMVRXJEHHJJI-GFCCVEGCSA-N -1 3 359.480 3.229 20 0 FGADHM O=C(CSCCCCC(F)(F)F)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000826420037 607786162 /nfs/dbraw/zinc/78/61/62/607786162.db2.gz WIWABYXBNOZXCZ-UHFFFAOYSA-N -1 3 359.377 3.271 20 0 FGADHM O=C(CSCCCCC(F)(F)F)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000826420037 607786163 /nfs/dbraw/zinc/78/61/63/607786163.db2.gz WIWABYXBNOZXCZ-UHFFFAOYSA-N -1 3 359.377 3.271 20 0 FGADHM CCCC(CCC)C(=O)NCCSCc1ccccc1-c1nnn[n-]1 ZINC000825242512 607792921 /nfs/dbraw/zinc/79/29/21/607792921.db2.gz SWJOPFQLCJILKX-UHFFFAOYSA-N -1 3 361.515 3.433 20 0 FGADHM CCCC(CCC)C(=O)NCCSCc1ccccc1-c1nn[n-]n1 ZINC000825242512 607792922 /nfs/dbraw/zinc/79/29/22/607792922.db2.gz SWJOPFQLCJILKX-UHFFFAOYSA-N -1 3 361.515 3.433 20 0 FGADHM Cc1ccc(C(=O)N(Cc2ccco2)c2ccccc2-c2nnn[n-]2)nc1 ZINC000826282046 607794129 /nfs/dbraw/zinc/79/41/29/607794129.db2.gz VSZZJUYXZSDTNU-UHFFFAOYSA-N -1 3 360.377 3.010 20 0 FGADHM Cc1ccc(C(=O)N(Cc2ccco2)c2ccccc2-c2nn[n-]n2)nc1 ZINC000826282046 607794130 /nfs/dbraw/zinc/79/41/30/607794130.db2.gz VSZZJUYXZSDTNU-UHFFFAOYSA-N -1 3 360.377 3.010 20 0 FGADHM CC(=O)c1c(C)[nH]c(C(=O)OCc2ccc(-c3nnn[n-]3)cc2)c1C(C)C ZINC000824010649 607805288 /nfs/dbraw/zinc/80/52/88/607805288.db2.gz OKERPRWWJWCTFR-UHFFFAOYSA-N -1 3 367.409 3.186 20 0 FGADHM CC(=O)c1c(C)[nH]c(C(=O)OCc2ccc(-c3nn[n-]n3)cc2)c1C(C)C ZINC000824010649 607805289 /nfs/dbraw/zinc/80/52/89/607805289.db2.gz OKERPRWWJWCTFR-UHFFFAOYSA-N -1 3 367.409 3.186 20 0 FGADHM C[C@H](Cc1ccccc1Cl)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000824457577 607819100 /nfs/dbraw/zinc/81/91/00/607819100.db2.gz QDWPLTHBBGFPBB-LLVKDONJSA-N -1 3 373.819 3.154 20 0 FGADHM C[C@H](Cc1ccccc1Cl)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000824457577 607819101 /nfs/dbraw/zinc/81/91/01/607819101.db2.gz QDWPLTHBBGFPBB-LLVKDONJSA-N -1 3 373.819 3.154 20 0 FGADHM FC(F)(F)c1ccc(N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)c(-c2nnn[n-]2)c1 ZINC000826368822 607822027 /nfs/dbraw/zinc/82/20/27/607822027.db2.gz CDVFVJPFFCULFV-ZLKJLUDKSA-N -1 3 365.359 3.255 20 0 FGADHM FC(F)(F)c1ccc(N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)c(-c2nn[n-]n2)c1 ZINC000826368822 607822028 /nfs/dbraw/zinc/82/20/28/607822028.db2.gz CDVFVJPFFCULFV-ZLKJLUDKSA-N -1 3 365.359 3.255 20 0 FGADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)Nc1cccc(-c2ncco2)c1 ZINC000826408500 607826058 /nfs/dbraw/zinc/82/60/58/607826058.db2.gz IZNZPOYPOASESU-UHFFFAOYSA-N -1 3 360.377 3.093 20 0 FGADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)Nc1cccc(-c2ncco2)c1 ZINC000826408500 607826059 /nfs/dbraw/zinc/82/60/59/607826059.db2.gz IZNZPOYPOASESU-UHFFFAOYSA-N -1 3 360.377 3.093 20 0 FGADHM CC(C)(C)SCCCC(=O)OCc1ccc(-c2nnn[n-]2)cc1F ZINC000824124617 607826259 /nfs/dbraw/zinc/82/62/59/607826259.db2.gz WQJNOWLGQGMDOB-UHFFFAOYSA-N -1 3 352.435 3.361 20 0 FGADHM CC(C)(C)SCCCC(=O)OCc1ccc(-c2nn[n-]n2)cc1F ZINC000824124617 607826260 /nfs/dbraw/zinc/82/62/60/607826260.db2.gz WQJNOWLGQGMDOB-UHFFFAOYSA-N -1 3 352.435 3.361 20 0 FGADHM C[C@@H](Cc1ccccc1Cl)C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000824456959 607829344 /nfs/dbraw/zinc/82/93/44/607829344.db2.gz BRHFSRDAXWHZGV-LBPRGKRZSA-N -1 3 355.829 3.362 20 0 FGADHM C[C@@H](Cc1ccccc1Cl)C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000824456959 607829345 /nfs/dbraw/zinc/82/93/45/607829345.db2.gz BRHFSRDAXWHZGV-LBPRGKRZSA-N -1 3 355.829 3.362 20 0 FGADHM C[C@H]1C[C@H](C)CN(C(=O)c2c(Cl)cc(-c3nnn[n-]3)cc2Cl)C1 ZINC000824874835 607832173 /nfs/dbraw/zinc/83/21/73/607832173.db2.gz GMOGFSOTGIVTFM-IUCAKERBSA-N -1 3 354.241 3.292 20 0 FGADHM C[C@H]1C[C@H](C)CN(C(=O)c2c(Cl)cc(-c3nn[n-]n3)cc2Cl)C1 ZINC000824874835 607832174 /nfs/dbraw/zinc/83/21/74/607832174.db2.gz GMOGFSOTGIVTFM-IUCAKERBSA-N -1 3 354.241 3.292 20 0 FGADHM O=C(NCc1ccc(F)cc1)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000826442358 607833843 /nfs/dbraw/zinc/83/38/43/607833843.db2.gz SCCXSSORSTXNCX-UHFFFAOYSA-N -1 3 366.183 3.243 20 0 FGADHM O=C(NCc1ccc(F)cc1)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000826442358 607833844 /nfs/dbraw/zinc/83/38/44/607833844.db2.gz SCCXSSORSTXNCX-UHFFFAOYSA-N -1 3 366.183 3.243 20 0 FGADHM CN(CCOc1ccc(F)cc1)c1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000825946100 607838846 /nfs/dbraw/zinc/83/88/46/607838846.db2.gz IPMIMOBAZVWAIO-UHFFFAOYSA-N -1 3 364.384 3.069 20 0 FGADHM CN(CCOc1ccc(F)cc1)c1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000825946100 607838847 /nfs/dbraw/zinc/83/88/47/607838847.db2.gz IPMIMOBAZVWAIO-UHFFFAOYSA-N -1 3 364.384 3.069 20 0 FGADHM CC1(NC(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)nc2)CCC1 ZINC000824829522 607856396 /nfs/dbraw/zinc/85/63/96/607856396.db2.gz FMDWFOGEWQTTNO-UHFFFAOYSA-N -1 3 365.397 3.118 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC[C@H](O)c1ccccc1C ZINC000825609477 607872493 /nfs/dbraw/zinc/87/24/93/607872493.db2.gz NGDUEJDDTPZDGO-HNNXBMFYSA-N -1 3 374.828 3.340 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC[C@H](O)c1ccccc1C ZINC000825609477 607872494 /nfs/dbraw/zinc/87/24/94/607872494.db2.gz NGDUEJDDTPZDGO-HNNXBMFYSA-N -1 3 374.828 3.340 20 0 FGADHM CCN(C(=O)c1cccc(N(C)C)c1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825385272 607879046 /nfs/dbraw/zinc/87/90/46/607879046.db2.gz BBDQWJMFCAUGDO-UHFFFAOYSA-N -1 3 370.844 3.253 20 0 FGADHM CCN(C(=O)c1cccc(N(C)C)c1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825385272 607879047 /nfs/dbraw/zinc/87/90/47/607879047.db2.gz BBDQWJMFCAUGDO-UHFFFAOYSA-N -1 3 370.844 3.253 20 0 FGADHM CCN(C(=O)c1c(F)cccc1F)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825377233 607879052 /nfs/dbraw/zinc/87/90/52/607879052.db2.gz YBEMZJWLLZAAHE-UHFFFAOYSA-N -1 3 363.755 3.465 20 0 FGADHM CCN(C(=O)c1c(F)cccc1F)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825377233 607879053 /nfs/dbraw/zinc/87/90/53/607879053.db2.gz YBEMZJWLLZAAHE-UHFFFAOYSA-N -1 3 363.755 3.465 20 0 FGADHM c1sc(CNc2cccc(-c3n[nH]c(C4CC4)n3)c2)cc1-c1nnn[n-]1 ZINC000826517350 607911010 /nfs/dbraw/zinc/91/10/10/607911010.db2.gz ZKSJNIPUPMIVIC-UHFFFAOYSA-N -1 3 364.438 3.203 20 0 FGADHM c1sc(CNc2cccc(-c3n[nH]c(C4CC4)n3)c2)cc1-c1nn[n-]n1 ZINC000826517350 607911011 /nfs/dbraw/zinc/91/10/11/607911011.db2.gz ZKSJNIPUPMIVIC-UHFFFAOYSA-N -1 3 364.438 3.203 20 0 FGADHM C[C@H](Cc1ccc(Cl)s1)OC(=O)c1sccc1-c1nnn[n-]1 ZINC000824457443 607924849 /nfs/dbraw/zinc/92/48/49/607924849.db2.gz MTWMXZSYDFMUIU-SSDOTTSWSA-N -1 3 354.844 3.431 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H](c1ccc(F)cc1)C(C)C ZINC000826185813 607925631 /nfs/dbraw/zinc/92/56/31/607925631.db2.gz UYJCBEOPZCFMBK-QGZVFWFLSA-N -1 3 369.400 3.393 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H](c1ccc(F)cc1)C(C)C ZINC000826185813 607925632 /nfs/dbraw/zinc/92/56/32/607925632.db2.gz UYJCBEOPZCFMBK-QGZVFWFLSA-N -1 3 369.400 3.393 20 0 FGADHM Cc1ccc(NC(=S)N2CCc3ccc(-c4nnn[n-]4)cc32)c(C)c1 ZINC000826291600 607930656 /nfs/dbraw/zinc/93/06/56/607930656.db2.gz NHEWKUCPMZVYBR-UHFFFAOYSA-N -1 3 350.451 3.243 20 0 FGADHM Cc1ccc(NC(=S)N2CCc3ccc(-c4nn[n-]n4)cc32)c(C)c1 ZINC000826291600 607930657 /nfs/dbraw/zinc/93/06/57/607930657.db2.gz NHEWKUCPMZVYBR-UHFFFAOYSA-N -1 3 350.451 3.243 20 0 FGADHM C[C@]1(C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)CCCc2ccccc21 ZINC000824784222 607946914 /nfs/dbraw/zinc/94/69/14/607946914.db2.gz PDWURGNEKVIIIL-NRFANRHFSA-N -1 3 359.433 3.050 20 0 FGADHM C[C@]1(C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)CCCc2ccccc21 ZINC000824784222 607946915 /nfs/dbraw/zinc/94/69/15/607946915.db2.gz PDWURGNEKVIIIL-NRFANRHFSA-N -1 3 359.433 3.050 20 0 FGADHM O=C(N1CCc2ccc(-c3nnn[n-]3)cc21)C1(c2ccc(F)cc2)CCC1 ZINC000826426714 607951960 /nfs/dbraw/zinc/95/19/60/607951960.db2.gz UUYVMAMMSUZVSA-UHFFFAOYSA-N -1 3 363.396 3.017 20 0 FGADHM O=C(N1CCc2ccc(-c3nn[n-]n3)cc21)C1(c2ccc(F)cc2)CCC1 ZINC000826426714 607951961 /nfs/dbraw/zinc/95/19/61/607951961.db2.gz UUYVMAMMSUZVSA-UHFFFAOYSA-N -1 3 363.396 3.017 20 0 FGADHM Cc1cccc2c(CCC(=O)N3CCc4ccc(-c5nnn[n-]5)cc43)c[nH]c21 ZINC000826304823 607952689 /nfs/dbraw/zinc/95/26/89/607952689.db2.gz ZUTMMGSKILOSGC-UHFFFAOYSA-N -1 3 372.432 3.178 20 0 FGADHM Cc1cccc2c(CCC(=O)N3CCc4ccc(-c5nn[n-]n5)cc43)c[nH]c21 ZINC000826304823 607952690 /nfs/dbraw/zinc/95/26/90/607952690.db2.gz ZUTMMGSKILOSGC-UHFFFAOYSA-N -1 3 372.432 3.178 20 0 FGADHM CCc1cccc2c(CC(=O)N3CCc4ccc(-c5nnn[n-]5)cc43)c[nH]c21 ZINC000825721874 607955028 /nfs/dbraw/zinc/95/50/28/607955028.db2.gz BJBCEWIMQKPDQY-UHFFFAOYSA-N -1 3 372.432 3.042 20 0 FGADHM CCc1cccc2c(CC(=O)N3CCc4ccc(-c5nn[n-]n5)cc43)c[nH]c21 ZINC000825721874 607955029 /nfs/dbraw/zinc/95/50/29/607955029.db2.gz BJBCEWIMQKPDQY-UHFFFAOYSA-N -1 3 372.432 3.042 20 0 FGADHM O=C(c1ccc(OC2CCC2)cc1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826473467 607955211 /nfs/dbraw/zinc/95/52/11/607955211.db2.gz ZEUMSIBMBDKGMN-UHFFFAOYSA-N -1 3 361.405 3.001 20 0 FGADHM O=C(c1ccc(OC2CCC2)cc1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826473467 607955212 /nfs/dbraw/zinc/95/52/12/607955212.db2.gz ZEUMSIBMBDKGMN-UHFFFAOYSA-N -1 3 361.405 3.001 20 0 FGADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)C=Cc2ccnc(Cl)c2)s1 ZINC000825694647 607962273 /nfs/dbraw/zinc/96/22/73/607962273.db2.gz XZSKKFIOLSPIFO-ONEGZZNKSA-N -1 3 360.830 3.191 20 0 FGADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)C=Cc2ccnc(Cl)c2)s1 ZINC000825694647 607962274 /nfs/dbraw/zinc/96/22/74/607962274.db2.gz XZSKKFIOLSPIFO-ONEGZZNKSA-N -1 3 360.830 3.191 20 0 FGADHM O=C(NOCc1ccccc1)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000826450116 607964601 /nfs/dbraw/zinc/96/46/01/607964601.db2.gz XQIIAONMSFZLIN-UHFFFAOYSA-N -1 3 364.192 3.035 20 0 FGADHM O=C(NOCc1ccccc1)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000826450116 607964602 /nfs/dbraw/zinc/96/46/02/607964602.db2.gz XQIIAONMSFZLIN-UHFFFAOYSA-N -1 3 364.192 3.035 20 0 FGADHM C/C=C\c1ccc(OCc2ccc(OC)c(-c3nnn[n-]3)c2)c(OC)c1 ZINC000825029367 607971926 /nfs/dbraw/zinc/97/19/26/607971926.db2.gz QOMTXTWUPKEWGB-PLNGDYQASA-N -1 3 352.394 3.496 20 0 FGADHM C/C=C\c1ccc(OCc2ccc(OC)c(-c3nn[n-]n3)c2)c(OC)c1 ZINC000825029367 607971927 /nfs/dbraw/zinc/97/19/27/607971927.db2.gz QOMTXTWUPKEWGB-PLNGDYQASA-N -1 3 352.394 3.496 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)c1cc(C2CCCCC2)[nH]n1 ZINC000826465654 607979784 /nfs/dbraw/zinc/97/97/84/607979784.db2.gz WJCLOQWXYVBWAK-UHFFFAOYSA-N -1 3 370.388 3.134 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)c1cc(C2CCCCC2)[nH]n1 ZINC000826465654 607979785 /nfs/dbraw/zinc/97/97/85/607979785.db2.gz WJCLOQWXYVBWAK-UHFFFAOYSA-N -1 3 370.388 3.134 20 0 FGADHM COc1ccc(C[C@H](C)C(=O)Nc2sc(C)c(C)c2-c2nnn[n-]2)cc1 ZINC000826190799 608000212 /nfs/dbraw/zinc/00/02/12/608000212.db2.gz NTIDDNJBLFJNCR-JTQLQIEISA-N -1 3 371.466 3.371 20 0 FGADHM COc1ccc(C[C@H](C)C(=O)Nc2sc(C)c(C)c2-c2nn[n-]n2)cc1 ZINC000826190799 608000213 /nfs/dbraw/zinc/00/02/13/608000213.db2.gz NTIDDNJBLFJNCR-JTQLQIEISA-N -1 3 371.466 3.371 20 0 FGADHM Cc1cc([C@H](NC(=O)Cc2cccc(-c3nnn[n-]3)c2)C2CC2)ccc1F ZINC000826262634 608009725 /nfs/dbraw/zinc/00/97/25/608009725.db2.gz UJPXPLZRGNHWKI-LJQANCHMSA-N -1 3 365.412 3.124 20 0 FGADHM Cc1cc([C@H](NC(=O)Cc2cccc(-c3nn[n-]n3)c2)C2CC2)ccc1F ZINC000826262634 608009726 /nfs/dbraw/zinc/00/97/26/608009726.db2.gz UJPXPLZRGNHWKI-LJQANCHMSA-N -1 3 365.412 3.124 20 0 FGADHM CC(C)Oc1ccc(NCc2cnc(Cl)s2)cc1-c1nnn[n-]1 ZINC000824329610 608019272 /nfs/dbraw/zinc/01/92/72/608019272.db2.gz SOJHTRKQBJBOBU-UHFFFAOYSA-N -1 3 350.835 3.376 20 0 FGADHM CC(C)Oc1ccc(NCc2cnc(Cl)s2)cc1-c1nn[n-]n1 ZINC000824329610 608019273 /nfs/dbraw/zinc/01/92/73/608019273.db2.gz SOJHTRKQBJBOBU-UHFFFAOYSA-N -1 3 350.835 3.376 20 0 FGADHM S=C(Nc1ccccc1-c1nnn[n-]1)N1CCc2ccc(Cl)cc2C1 ZINC000826511678 608046698 /nfs/dbraw/zinc/04/66/98/608046698.db2.gz AEYGKSPAWKSWBQ-UHFFFAOYSA-N -1 3 370.869 3.275 20 0 FGADHM S=C(Nc1ccccc1-c1nn[n-]n1)N1CCc2ccc(Cl)cc2C1 ZINC000826511678 608046699 /nfs/dbraw/zinc/04/66/99/608046699.db2.gz AEYGKSPAWKSWBQ-UHFFFAOYSA-N -1 3 370.869 3.275 20 0 FGADHM Cc1cc(C)n(C[C@H]2CCCCN2c2c(F)cc(-c3nnn[n-]3)cc2F)n1 ZINC000826265383 608049376 /nfs/dbraw/zinc/04/93/76/608049376.db2.gz WWLIBNRZLLZJMN-CQSZACIVSA-N -1 3 373.411 3.017 20 0 FGADHM Cc1cc(C)n(C[C@H]2CCCCN2c2c(F)cc(-c3nn[n-]n3)cc2F)n1 ZINC000826265383 608049377 /nfs/dbraw/zinc/04/93/77/608049377.db2.gz WWLIBNRZLLZJMN-CQSZACIVSA-N -1 3 373.411 3.017 20 0 FGADHM C[C@@H](Oc1ccc(Cl)c(F)c1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000824737405 608055493 /nfs/dbraw/zinc/05/54/93/608055493.db2.gz GETDFTLMXKUHBG-SECBINFHSA-N -1 3 361.764 3.065 20 0 FGADHM C[C@@H](Oc1ccc(Cl)c(F)c1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000824737405 608055494 /nfs/dbraw/zinc/05/54/94/608055494.db2.gz GETDFTLMXKUHBG-SECBINFHSA-N -1 3 361.764 3.065 20 0 FGADHM C[C@H](NC(=O)CCCc1cc(F)ccc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000824480494 608058780 /nfs/dbraw/zinc/05/87/80/608058780.db2.gz WSKIYDFQXWNQSB-LBPRGKRZSA-N -1 3 371.391 3.345 20 0 FGADHM C[C@H](NC(=O)CCCc1cc(F)ccc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000824480494 608058781 /nfs/dbraw/zinc/05/87/81/608058781.db2.gz WSKIYDFQXWNQSB-LBPRGKRZSA-N -1 3 371.391 3.345 20 0 FGADHM Cc1sc(NC(=O)c2cccc([C@@H]3CCOC3)c2)c(-c2nnn[n-]2)c1C ZINC000826349962 608059256 /nfs/dbraw/zinc/05/92/56/608059256.db2.gz BHPKARBNVVWQGR-CQSZACIVSA-N -1 3 369.450 3.301 20 0 FGADHM Cc1sc(NC(=O)c2cccc([C@@H]3CCOC3)c2)c(-c2nn[n-]n2)c1C ZINC000826349962 608059257 /nfs/dbraw/zinc/05/92/57/608059257.db2.gz BHPKARBNVVWQGR-CQSZACIVSA-N -1 3 369.450 3.301 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C1=Cc2cc(F)ccc2OC1 ZINC000826452211 608059283 /nfs/dbraw/zinc/05/92/83/608059283.db2.gz LFIUINCYUSLVOT-UHFFFAOYSA-N -1 3 371.759 3.074 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C1=Cc2cc(F)ccc2OC1 ZINC000826452211 608059284 /nfs/dbraw/zinc/05/92/84/608059284.db2.gz LFIUINCYUSLVOT-UHFFFAOYSA-N -1 3 371.759 3.074 20 0 FGADHM C[C@@H](c1cc(F)ccc1F)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824763011 608067117 /nfs/dbraw/zinc/06/71/17/608067117.db2.gz JKTJADRGHQLBPF-KPZWWZAWSA-N -1 3 371.391 3.279 20 0 FGADHM C[C@@H](c1cc(F)ccc1F)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824763011 608067118 /nfs/dbraw/zinc/06/71/18/608067118.db2.gz JKTJADRGHQLBPF-KPZWWZAWSA-N -1 3 371.391 3.279 20 0 FGADHM C[C@@H](OC(=O)C1=Cc2cc(F)ccc2OC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824716279 608067234 /nfs/dbraw/zinc/06/72/34/608067234.db2.gz XOTDSPYNMJAUOH-LLVKDONJSA-N -1 3 366.352 3.086 20 0 FGADHM C[C@@H](OC(=O)C1=Cc2cc(F)ccc2OC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824716279 608067235 /nfs/dbraw/zinc/06/72/35/608067235.db2.gz XOTDSPYNMJAUOH-LLVKDONJSA-N -1 3 366.352 3.086 20 0 FGADHM C[C@H](c1c(F)cccc1F)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824763827 608068130 /nfs/dbraw/zinc/06/81/30/608068130.db2.gz PLRPXANFUPIWPJ-PXAZEXFGSA-N -1 3 371.391 3.279 20 0 FGADHM C[C@H](c1c(F)cccc1F)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824763827 608068131 /nfs/dbraw/zinc/06/81/31/608068131.db2.gz PLRPXANFUPIWPJ-PXAZEXFGSA-N -1 3 371.391 3.279 20 0 FGADHM C[C@@H](c1cccc(F)c1)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824770355 608068457 /nfs/dbraw/zinc/06/84/57/608068457.db2.gz JHWPVMINSKQUEV-UGSOOPFHSA-N -1 3 353.401 3.140 20 0 FGADHM C[C@H](c1cccc(F)c1)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824770352 608068647 /nfs/dbraw/zinc/06/86/47/608068647.db2.gz JHWPVMINSKQUEV-ACJLOTCBSA-N -1 3 353.401 3.140 20 0 FGADHM CN(Cc1ccc(Cl)c(F)c1)C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000825966305 608097954 /nfs/dbraw/zinc/09/79/54/608097954.db2.gz XFSPZINFMNYGEC-UHFFFAOYSA-N -1 3 374.807 3.001 20 0 FGADHM CN(Cc1ccc(Cl)c(F)c1)C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000825966305 608097955 /nfs/dbraw/zinc/09/79/55/608097955.db2.gz XFSPZINFMNYGEC-UHFFFAOYSA-N -1 3 374.807 3.001 20 0 FGADHM CC[C@@H](C)n1ncc(NC(=O)Cc2ccc(-c3nnn[n-]3)cc2)c1C1CC1 ZINC000825081900 608102492 /nfs/dbraw/zinc/10/24/92/608102492.db2.gz OFFZYJMTNZFLBH-GFCCVEGCSA-N -1 3 365.441 3.093 20 0 FGADHM CC[C@@H](C)n1ncc(NC(=O)Cc2ccc(-c3nn[n-]n3)cc2)c1C1CC1 ZINC000825081900 608102493 /nfs/dbraw/zinc/10/24/93/608102493.db2.gz OFFZYJMTNZFLBH-GFCCVEGCSA-N -1 3 365.441 3.093 20 0 FGADHM CN(Cc1ccc(Cl)c(F)c1)C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000825966198 608103407 /nfs/dbraw/zinc/10/34/07/608103407.db2.gz SHCLTJULFYGWRV-UHFFFAOYSA-N -1 3 373.819 3.250 20 0 FGADHM CN(Cc1ccc(Cl)c(F)c1)C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000825966198 608103408 /nfs/dbraw/zinc/10/34/08/608103408.db2.gz SHCLTJULFYGWRV-UHFFFAOYSA-N -1 3 373.819 3.250 20 0 FGADHM C[C@@H](NC(=O)Nc1scnc1C1CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000824507015 608106266 /nfs/dbraw/zinc/10/62/66/608106266.db2.gz RXWSGBOPIGPVLA-SECBINFHSA-N -1 3 355.427 3.083 20 0 FGADHM C[C@@H](NC(=O)Nc1scnc1C1CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000824507015 608106267 /nfs/dbraw/zinc/10/62/67/608106267.db2.gz RXWSGBOPIGPVLA-SECBINFHSA-N -1 3 355.427 3.083 20 0 FGADHM C[C@@H](C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1c(F)cccc1F ZINC000824471202 608114365 /nfs/dbraw/zinc/11/43/65/608114365.db2.gz PIFDOQVGWAKFIZ-MNOVXSKESA-N -1 3 357.364 3.126 20 0 FGADHM C[C@@H](C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1c(F)cccc1F ZINC000824471202 608114366 /nfs/dbraw/zinc/11/43/66/608114366.db2.gz PIFDOQVGWAKFIZ-MNOVXSKESA-N -1 3 357.364 3.126 20 0 FGADHM CCC[C@@H](C(=O)Nc1ccc(NC(=O)OCC)c(-c2nnn[n-]2)c1)C(C)C ZINC000825225794 608114635 /nfs/dbraw/zinc/11/46/35/608114635.db2.gz XQXFUYIYGVTAKC-CYBMUJFWSA-N -1 3 374.445 3.446 20 0 FGADHM CCC[C@@H](C(=O)Nc1ccc(NC(=O)OCC)c(-c2nn[n-]n2)c1)C(C)C ZINC000825225794 608114636 /nfs/dbraw/zinc/11/46/36/608114636.db2.gz XQXFUYIYGVTAKC-CYBMUJFWSA-N -1 3 374.445 3.446 20 0 FGADHM CCC[C@H](C(=O)OCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)C(C)C ZINC000825225681 608118292 /nfs/dbraw/zinc/11/82/92/608118292.db2.gz WHYVGVKLDLRKNC-AWEZNQCLSA-N -1 3 370.413 3.032 20 0 FGADHM CCC[C@H](C(=O)OCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)C(C)C ZINC000825225681 608118293 /nfs/dbraw/zinc/11/82/93/608118293.db2.gz WHYVGVKLDLRKNC-AWEZNQCLSA-N -1 3 370.413 3.032 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H](C)c1c(F)cccc1F ZINC000825620960 608119926 /nfs/dbraw/zinc/11/99/26/608119926.db2.gz KGENKTCBZHGCEW-SNVBAGLBSA-N -1 3 373.363 3.286 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H](C)c1c(F)cccc1F ZINC000825620960 608119927 /nfs/dbraw/zinc/11/99/27/608119927.db2.gz KGENKTCBZHGCEW-SNVBAGLBSA-N -1 3 373.363 3.286 20 0 FGADHM Cc1ccc([C@H]2CCN(C(=O)C=Cc3ccccc3-c3nnn[n-]3)C2)cc1 ZINC000826286049 608129787 /nfs/dbraw/zinc/12/97/87/608129787.db2.gz QVBOLISVGPGREP-LENZSSGSSA-N -1 3 359.433 3.204 20 0 FGADHM Cc1ccc([C@H]2CCN(C(=O)C=Cc3ccccc3-c3nn[n-]n3)C2)cc1 ZINC000826286049 608129788 /nfs/dbraw/zinc/12/97/88/608129788.db2.gz QVBOLISVGPGREP-LENZSSGSSA-N -1 3 359.433 3.204 20 0 FGADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CC[C@@H](C(C)(C)C)C1 ZINC000824207391 608131215 /nfs/dbraw/zinc/13/12/15/608131215.db2.gz VOMQSEXFEMGCGI-RHSMWYFYSA-N -1 3 371.485 3.165 20 0 FGADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CC[C@@H](C(C)(C)C)C1 ZINC000824207391 608131216 /nfs/dbraw/zinc/13/12/16/608131216.db2.gz VOMQSEXFEMGCGI-RHSMWYFYSA-N -1 3 371.485 3.165 20 0 FGADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)c1ccccc1Cl ZINC000825797311 608178061 /nfs/dbraw/zinc/17/80/61/608178061.db2.gz ZJKQFTQASWNFNP-UHFFFAOYSA-N -1 3 367.800 3.142 20 0 FGADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)c1ccccc1Cl ZINC000825797311 608178063 /nfs/dbraw/zinc/17/80/63/608178063.db2.gz ZJKQFTQASWNFNP-UHFFFAOYSA-N -1 3 367.800 3.142 20 0 FGADHM Cc1nn(C(C)(C)C)c(C)c1C(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826333024 608186124 /nfs/dbraw/zinc/18/61/24/608186124.db2.gz QRCBTWGROVZPBJ-CYBMUJFWSA-N -1 3 368.441 3.353 20 0 FGADHM Cc1nn(C(C)(C)C)c(C)c1C(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826333024 608186126 /nfs/dbraw/zinc/18/61/26/608186126.db2.gz QRCBTWGROVZPBJ-CYBMUJFWSA-N -1 3 368.441 3.353 20 0 FGADHM Nc1nc(CSc2cccc(Cl)c2-c2nnn[n-]2)nc2ccccc12 ZINC000826396183 608208082 /nfs/dbraw/zinc/20/80/82/608208082.db2.gz LJRDGGKRNUZIRK-UHFFFAOYSA-N -1 3 369.841 3.338 20 0 FGADHM Nc1nc(CSc2cccc(Cl)c2-c2nn[n-]n2)nc2ccccc12 ZINC000826396183 608208083 /nfs/dbraw/zinc/20/80/83/608208083.db2.gz LJRDGGKRNUZIRK-UHFFFAOYSA-N -1 3 369.841 3.338 20 0 FGADHM C[C@@H](Nc1ccc2cc(-c3nnn[n-]3)ccc2n1)c1ccc2c(c1)OCO2 ZINC000824663044 608221377 /nfs/dbraw/zinc/22/13/77/608221377.db2.gz VHBFAGITCRCZNZ-LLVKDONJSA-N -1 3 360.377 3.317 20 0 FGADHM C[C@@H](Nc1ccc2cc(-c3nn[n-]n3)ccc2n1)c1ccc2c(c1)OCO2 ZINC000824663044 608221378 /nfs/dbraw/zinc/22/13/78/608221378.db2.gz VHBFAGITCRCZNZ-LLVKDONJSA-N -1 3 360.377 3.317 20 0 FGADHM CCC(=O)Nc1cccc(CNc2ccc3cc(-c4nnn[n-]4)ccc3n2)c1 ZINC000825034604 608222879 /nfs/dbraw/zinc/22/28/79/608222879.db2.gz MWGVJJUAAIRUSN-UHFFFAOYSA-N -1 3 373.420 3.376 20 0 FGADHM CCC(=O)Nc1cccc(CNc2ccc3cc(-c4nn[n-]n4)ccc3n2)c1 ZINC000825034604 608222881 /nfs/dbraw/zinc/22/28/81/608222881.db2.gz MWGVJJUAAIRUSN-UHFFFAOYSA-N -1 3 373.420 3.376 20 0 FGADHM Cc1cccc([C@H](Nc2nnc(C)c(C)c2-c2nnn[n-]2)c2ccccn2)c1 ZINC000826297118 608231070 /nfs/dbraw/zinc/23/10/70/608231070.db2.gz VXWBOYFZJSZYDH-SFHVURJKSA-N -1 3 372.436 3.178 20 0 FGADHM Cc1cccc([C@H](Nc2nnc(C)c(C)c2-c2nn[n-]n2)c2ccccn2)c1 ZINC000826297118 608231072 /nfs/dbraw/zinc/23/10/72/608231072.db2.gz VXWBOYFZJSZYDH-SFHVURJKSA-N -1 3 372.436 3.178 20 0 FGADHM O=C(NC1(c2ccc(F)cc2F)CCCCC1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000826427294 608240732 /nfs/dbraw/zinc/24/07/32/608240732.db2.gz LLERCCNSZYSBMJ-UHFFFAOYSA-N -1 3 372.379 3.062 20 0 FGADHM O=C(NC1(c2ccc(F)cc2F)CCCCC1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000826427294 608240733 /nfs/dbraw/zinc/24/07/33/608240733.db2.gz LLERCCNSZYSBMJ-UHFFFAOYSA-N -1 3 372.379 3.062 20 0 FGADHM COc1cc(Br)cc(NCc2cc(-c3nnn[n-]3)cs2)c1 ZINC000826177121 608242732 /nfs/dbraw/zinc/24/27/32/608242732.db2.gz SDIPFEXLYUJRRU-UHFFFAOYSA-N -1 3 366.244 3.311 20 0 FGADHM COc1cc(Br)cc(NCc2cc(-c3nn[n-]n3)cs2)c1 ZINC000826177121 608242734 /nfs/dbraw/zinc/24/27/34/608242734.db2.gz SDIPFEXLYUJRRU-UHFFFAOYSA-N -1 3 366.244 3.311 20 0 FGADHM CC[C@@H]1CC[C@@H](C)N1C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC000825191543 608260322 /nfs/dbraw/zinc/26/03/22/608260322.db2.gz BYCCLYBORPMHRN-TZMCWYRMSA-N -1 3 358.446 3.449 20 0 FGADHM CC[C@@H]1CC[C@@H](C)N1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC000825191543 608260323 /nfs/dbraw/zinc/26/03/23/608260323.db2.gz BYCCLYBORPMHRN-TZMCWYRMSA-N -1 3 358.446 3.449 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1Cn1c2ccccc2nc1C(F)(F)F ZINC000826173826 608264664 /nfs/dbraw/zinc/26/46/64/608264664.db2.gz WOKDNEUJYIVPML-UHFFFAOYSA-N -1 3 374.326 3.292 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1Cn1c2ccccc2nc1C(F)(F)F ZINC000826173826 608264665 /nfs/dbraw/zinc/26/46/65/608264665.db2.gz WOKDNEUJYIVPML-UHFFFAOYSA-N -1 3 374.326 3.292 20 0 FGADHM C[C@@H](OC(=O)Cc1cccc2cccnc21)c1cccc(-c2nnn[n-]2)c1 ZINC000824713066 608274038 /nfs/dbraw/zinc/27/40/38/608274038.db2.gz GHKBSDWRMXSVAI-CYBMUJFWSA-N -1 3 359.389 3.262 20 0 FGADHM C[C@@H](OC(=O)Cc1cccc2cccnc21)c1cccc(-c2nn[n-]n2)c1 ZINC000824713066 608274039 /nfs/dbraw/zinc/27/40/39/608274039.db2.gz GHKBSDWRMXSVAI-CYBMUJFWSA-N -1 3 359.389 3.262 20 0 FGADHM CC(C)(C)NC(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000824092980 608291225 /nfs/dbraw/zinc/29/12/25/608291225.db2.gz CPJGZNRDWWNGAE-UHFFFAOYSA-N -1 3 350.426 3.131 20 0 FGADHM CC(C)(C)NC(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000824092980 608291226 /nfs/dbraw/zinc/29/12/26/608291226.db2.gz CPJGZNRDWWNGAE-UHFFFAOYSA-N -1 3 350.426 3.131 20 0 FGADHM O=C(NCc1ccco1)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000826441167 608292467 /nfs/dbraw/zinc/29/24/67/608292467.db2.gz QSWPCXDEQWRIPS-UHFFFAOYSA-N -1 3 374.404 3.126 20 0 FGADHM O=C(NCc1ccco1)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000826441167 608292468 /nfs/dbraw/zinc/29/24/68/608292468.db2.gz QSWPCXDEQWRIPS-UHFFFAOYSA-N -1 3 374.404 3.126 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)c(N2CCc3cc(-c4ccccc4)oc3C2)n1 ZINC000826274708 608294227 /nfs/dbraw/zinc/29/42/27/608294227.db2.gz BKWSAXFGBHLKLH-UHFFFAOYSA-N -1 3 358.405 3.393 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)c(N2CCc3cc(-c4ccccc4)oc3C2)n1 ZINC000826274708 608294229 /nfs/dbraw/zinc/29/42/29/608294229.db2.gz BKWSAXFGBHLKLH-UHFFFAOYSA-N -1 3 358.405 3.393 20 0 FGADHM c1ccc2c(c1)ncc(-c1nnn[n-]1)c2N1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000826523179 608298848 /nfs/dbraw/zinc/29/88/48/608298848.db2.gz DENAYMYZHVLHSQ-HUUCEWRRSA-N -1 3 364.453 3.058 20 0 FGADHM c1ccc2c(c1)ncc(-c1nn[n-]n1)c2N1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000826523179 608298850 /nfs/dbraw/zinc/29/88/50/608298850.db2.gz DENAYMYZHVLHSQ-HUUCEWRRSA-N -1 3 364.453 3.058 20 0 FGADHM CN(C(=O)C=Cc1ccc2[nH]ccc2c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000825812447 608301544 /nfs/dbraw/zinc/30/15/44/608301544.db2.gz KTKVHQCLFFDJTK-XVNBXDOJSA-N -1 3 362.368 3.163 20 0 FGADHM CN(C(=O)C=Cc1ccc2[nH]ccc2c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000825812447 608301545 /nfs/dbraw/zinc/30/15/45/608301545.db2.gz KTKVHQCLFFDJTK-XVNBXDOJSA-N -1 3 362.368 3.163 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1CN1c2cccc3cccc(c23)C1=O ZINC000826168579 608321959 /nfs/dbraw/zinc/32/19/59/608321959.db2.gz RKFSKTSCNJCBGA-UHFFFAOYSA-N -1 3 357.373 3.189 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1CN1c2cccc3cccc(c23)C1=O ZINC000826168579 608321960 /nfs/dbraw/zinc/32/19/60/608321960.db2.gz RKFSKTSCNJCBGA-UHFFFAOYSA-N -1 3 357.373 3.189 20 0 FGADHM CC1(C)c2ccccc2CCN1C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000824818641 608336834 /nfs/dbraw/zinc/33/68/34/608336834.db2.gz UWLMKKYZBPQARX-VAWYXSNFSA-N -1 3 359.433 3.200 20 0 FGADHM CC1(C)c2ccccc2CCN1C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000824818641 608336836 /nfs/dbraw/zinc/33/68/36/608336836.db2.gz UWLMKKYZBPQARX-VAWYXSNFSA-N -1 3 359.433 3.200 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)C1(c2ccccc2)CCC1 ZINC000826171135 608344743 /nfs/dbraw/zinc/34/47/43/608344743.db2.gz DJQFPBWMSPPOCM-UHFFFAOYSA-N -1 3 364.405 3.040 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)C1(c2ccccc2)CCC1 ZINC000826171135 608344744 /nfs/dbraw/zinc/34/47/44/608344744.db2.gz DJQFPBWMSPPOCM-UHFFFAOYSA-N -1 3 364.405 3.040 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)[C@@H]1CCCc2ccccc21 ZINC000826171375 608347028 /nfs/dbraw/zinc/34/70/28/608347028.db2.gz LOTBOVQQVZYBNB-QGZVFWFLSA-N -1 3 364.405 3.039 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)[C@@H]1CCCc2ccccc21 ZINC000826171375 608347029 /nfs/dbraw/zinc/34/70/29/608347029.db2.gz LOTBOVQQVZYBNB-QGZVFWFLSA-N -1 3 364.405 3.039 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1CN(Cc1ccccc1F)C1CC1 ZINC000826168279 608353057 /nfs/dbraw/zinc/35/30/57/608353057.db2.gz INCNVZPJAVBBKB-UHFFFAOYSA-N -1 3 353.401 3.179 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1CN(Cc1ccccc1F)C1CC1 ZINC000826168279 608353059 /nfs/dbraw/zinc/35/30/59/608353059.db2.gz INCNVZPJAVBBKB-UHFFFAOYSA-N -1 3 353.401 3.179 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1CNC1(c2nc(C)cs2)CCCC1 ZINC000826169786 608372249 /nfs/dbraw/zinc/37/22/49/608372249.db2.gz FFCSWNHNSLCOJQ-UHFFFAOYSA-N -1 3 370.482 3.199 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1CNC1(c2nc(C)cs2)CCCC1 ZINC000826169786 608372251 /nfs/dbraw/zinc/37/22/51/608372251.db2.gz FFCSWNHNSLCOJQ-UHFFFAOYSA-N -1 3 370.482 3.199 20 0 FGADHM CSc1cccc(N[C@H](C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)c1C ZINC000826230940 608384484 /nfs/dbraw/zinc/38/44/84/608384484.db2.gz PZDFJDCEKDNSLN-GFCCVEGCSA-N -1 3 368.466 3.336 20 0 FGADHM CSc1cccc(N[C@H](C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)c1C ZINC000826230940 608384485 /nfs/dbraw/zinc/38/44/85/608384485.db2.gz PZDFJDCEKDNSLN-GFCCVEGCSA-N -1 3 368.466 3.336 20 0 FGADHM C[C@@H]1CCC[C@@H](NC(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)C1 ZINC000824927087 608396577 /nfs/dbraw/zinc/39/65/77/608396577.db2.gz MDOQQLRABZJUKN-RDTXWAMCSA-N -1 3 366.469 3.244 20 0 FGADHM C[C@@H]1CCC[C@@H](NC(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC000824927087 608396580 /nfs/dbraw/zinc/39/65/80/608396580.db2.gz MDOQQLRABZJUKN-RDTXWAMCSA-N -1 3 366.469 3.244 20 0 FGADHM CCC[C@H](CC)NC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000825231862 608401523 /nfs/dbraw/zinc/40/15/23/608401523.db2.gz BLSGVEHHIKODFO-KRWDZBQOSA-N -1 3 354.458 3.244 20 0 FGADHM CCC[C@H](CC)NC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825231862 608401524 /nfs/dbraw/zinc/40/15/24/608401524.db2.gz BLSGVEHHIKODFO-KRWDZBQOSA-N -1 3 354.458 3.244 20 0 FGADHM COC1(C)CCN(c2c(-c3nnn[n-]3)cnc3c(C)cc(C)cc32)CC1 ZINC000826143792 608412065 /nfs/dbraw/zinc/41/20/65/608412065.db2.gz PSXIYKFSUYMAJW-UHFFFAOYSA-N -1 3 352.442 3.037 20 0 FGADHM COC1(C)CCN(c2c(-c3nn[n-]n3)cnc3c(C)cc(C)cc32)CC1 ZINC000826143792 608412066 /nfs/dbraw/zinc/41/20/66/608412066.db2.gz PSXIYKFSUYMAJW-UHFFFAOYSA-N -1 3 352.442 3.037 20 0 FGADHM C[C@H](NC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1)c1ccccc1Cl ZINC000826232189 608423981 /nfs/dbraw/zinc/42/39/81/608423981.db2.gz ZBCHHIJSGXGUMP-LBPRGKRZSA-N -1 3 370.844 3.423 20 0 FGADHM C[C@H](NC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1)c1ccccc1Cl ZINC000826232189 608423983 /nfs/dbraw/zinc/42/39/83/608423983.db2.gz ZBCHHIJSGXGUMP-LBPRGKRZSA-N -1 3 370.844 3.423 20 0 FGADHM Cc1cccc2[nH]cc(CC(=O)OCc3cccc(-c4nnn[n-]4)c3F)c21 ZINC000826304195 608446377 /nfs/dbraw/zinc/44/63/77/608446377.db2.gz BJXNZRJPWQFFFA-UHFFFAOYSA-N -1 3 365.368 3.081 20 0 FGADHM Cc1cccc2[nH]cc(CC(=O)OCc3cccc(-c4nn[n-]n4)c3F)c21 ZINC000826304195 608446378 /nfs/dbraw/zinc/44/63/78/608446378.db2.gz BJXNZRJPWQFFFA-UHFFFAOYSA-N -1 3 365.368 3.081 20 0 FGADHM C[C@@H](Cc1ccccc1F)C(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000824457570 608447608 /nfs/dbraw/zinc/44/76/08/608447608.db2.gz PZJDHSMISIPKPT-NSHDSACASA-N -1 3 358.348 3.067 20 0 FGADHM C[C@@H](Cc1ccccc1F)C(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000824457570 608447609 /nfs/dbraw/zinc/44/76/09/608447609.db2.gz PZJDHSMISIPKPT-NSHDSACASA-N -1 3 358.348 3.067 20 0 FGADHM CC(C)[C@@H](C(=O)OCc1cccc(-c2nnn[n-]2)c1F)c1ccccc1 ZINC000824185091 608449160 /nfs/dbraw/zinc/44/91/60/608449160.db2.gz QTXINEBOOIRKTH-MRXNPFEDSA-N -1 3 354.385 3.489 20 0 FGADHM CC(C)[C@@H](C(=O)OCc1cccc(-c2nn[n-]n2)c1F)c1ccccc1 ZINC000824185091 608449161 /nfs/dbraw/zinc/44/91/61/608449161.db2.gz QTXINEBOOIRKTH-MRXNPFEDSA-N -1 3 354.385 3.489 20 0 FGADHM C[C@@H](OC1CCCCCC1)C(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000824731487 608450321 /nfs/dbraw/zinc/45/03/21/608450321.db2.gz WCZOKWYYXVQHPJ-GFCCVEGCSA-N -1 3 362.405 3.177 20 0 FGADHM C[C@@H](OC1CCCCCC1)C(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000824731487 608450322 /nfs/dbraw/zinc/45/03/22/608450322.db2.gz WCZOKWYYXVQHPJ-GFCCVEGCSA-N -1 3 362.405 3.177 20 0 FGADHM O=C(C/C=C/c1cccc(F)c1)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826405262 608451637 /nfs/dbraw/zinc/45/16/37/608451637.db2.gz ZXHSBSQJFDQJJB-GORDUTHDSA-N -1 3 356.332 3.292 20 0 FGADHM O=C(C/C=C/c1cccc(F)c1)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826405262 608451639 /nfs/dbraw/zinc/45/16/39/608451639.db2.gz ZXHSBSQJFDQJJB-GORDUTHDSA-N -1 3 356.332 3.292 20 0 FGADHM CC[C@H](OC(=O)c1cc(-c2nnn[n-]2)cn1C)c1ccc(Cl)cc1F ZINC000825154352 608455950 /nfs/dbraw/zinc/45/59/50/608455950.db2.gz NUHZJWQQBRKCDH-AWEZNQCLSA-N -1 3 363.780 3.306 20 0 FGADHM CC[C@H](OC(=O)c1cc(-c2nn[n-]n2)cn1C)c1ccc(Cl)cc1F ZINC000825154352 608455951 /nfs/dbraw/zinc/45/59/51/608455951.db2.gz NUHZJWQQBRKCDH-AWEZNQCLSA-N -1 3 363.780 3.306 20 0 FGADHM Cc1ccc(-c2noc(CN[C@@H](C)c3ccc(-c4nnn[n-]4)cc3)n2)cc1 ZINC000826280605 608466095 /nfs/dbraw/zinc/46/60/95/608466095.db2.gz ISXUDPZHRFCQQD-ZDUSSCGKSA-N -1 3 361.409 3.076 20 0 FGADHM Cc1ccc(-c2noc(CN[C@@H](C)c3ccc(-c4nn[n-]n4)cc3)n2)cc1 ZINC000826280605 608466097 /nfs/dbraw/zinc/46/60/97/608466097.db2.gz ISXUDPZHRFCQQD-ZDUSSCGKSA-N -1 3 361.409 3.076 20 0 FGADHM CC(C)=CCOC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000824178448 608475614 /nfs/dbraw/zinc/47/56/14/608475614.db2.gz SMZZOSMDXGQLQE-UHFFFAOYSA-N -1 3 354.366 3.162 20 0 FGADHM Cc1ccc(-c2nnc(CN[C@H](C)c3cccc(-c4nnn[n-]4)c3)o2)cc1 ZINC000826273477 608491355 /nfs/dbraw/zinc/49/13/55/608491355.db2.gz GFMRFAZXDPUOKT-CYBMUJFWSA-N -1 3 361.409 3.076 20 0 FGADHM Cc1ccc(-c2nnc(CN[C@H](C)c3cccc(-c4nn[n-]n4)c3)o2)cc1 ZINC000826273477 608491357 /nfs/dbraw/zinc/49/13/57/608491357.db2.gz GFMRFAZXDPUOKT-CYBMUJFWSA-N -1 3 361.409 3.076 20 0 FGADHM CC(C)(C)CN(CC(C)(C)C)C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000824085121 608522327 /nfs/dbraw/zinc/52/23/27/608522327.db2.gz BRVKRVMFWQEHGC-UHFFFAOYSA-N -1 3 358.490 3.471 20 0 FGADHM CC(C)(C)CN(CC(C)(C)C)C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000824085121 608522329 /nfs/dbraw/zinc/52/23/29/608522329.db2.gz BRVKRVMFWQEHGC-UHFFFAOYSA-N -1 3 358.490 3.471 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)Nc1c(F)cc(Cl)cc1F ZINC000826401933 608548060 /nfs/dbraw/zinc/54/80/60/608548060.db2.gz JSOKAQFPOQHSIQ-WAYWQWQTSA-N -1 3 361.739 3.450 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)Nc1c(F)cc(Cl)cc1F ZINC000826401933 608548061 /nfs/dbraw/zinc/54/80/61/608548061.db2.gz JSOKAQFPOQHSIQ-WAYWQWQTSA-N -1 3 361.739 3.450 20 0 FGADHM O=C(Nc1cccc(C(F)(F)F)n1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826456566 608575924 /nfs/dbraw/zinc/57/59/24/608575924.db2.gz MDCKDVQWRITOBM-UHFFFAOYSA-N -1 3 368.706 3.186 20 0 FGADHM O=C(Nc1cccc(C(F)(F)F)n1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826456566 608575926 /nfs/dbraw/zinc/57/59/26/608575926.db2.gz MDCKDVQWRITOBM-UHFFFAOYSA-N -1 3 368.706 3.186 20 0 FGADHM Cc1csc([C@H](NC(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)C2CC2)n1 ZINC000826320104 608577509 /nfs/dbraw/zinc/57/75/09/608577509.db2.gz GNDMODUQOSWOOL-CYBMUJFWSA-N -1 3 374.857 3.166 20 0 FGADHM Cc1csc([C@H](NC(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)C2CC2)n1 ZINC000826320104 608577510 /nfs/dbraw/zinc/57/75/10/608577510.db2.gz GNDMODUQOSWOOL-CYBMUJFWSA-N -1 3 374.857 3.166 20 0 FGADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(N2CC=C(c3ccccc3)C2)n1 ZINC000826368454 608584227 /nfs/dbraw/zinc/58/42/27/608584227.db2.gz QCWBNVYKQROQOB-UHFFFAOYSA-N -1 3 358.327 3.184 20 0 FGADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(N2CC=C(c3ccccc3)C2)n1 ZINC000826368454 608584228 /nfs/dbraw/zinc/58/42/28/608584228.db2.gz QCWBNVYKQROQOB-UHFFFAOYSA-N -1 3 358.327 3.184 20 0 FGADHM CCOc1cccc([C@@H]2C[C@@H]2Nc2ncc(-c3nnn[n-]3)cc2Cl)c1 ZINC000825649501 608588828 /nfs/dbraw/zinc/58/88/28/608588828.db2.gz QSONCLUAUOKVIC-ZFWWWQNUSA-N -1 3 356.817 3.282 20 0 FGADHM CCOc1cccc([C@@H]2C[C@@H]2Nc2ncc(-c3nn[n-]n3)cc2Cl)c1 ZINC000825649501 608588830 /nfs/dbraw/zinc/58/88/30/608588830.db2.gz QSONCLUAUOKVIC-ZFWWWQNUSA-N -1 3 356.817 3.282 20 0 FGADHM CC(C)[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)cn1)c1ccc(F)c(F)c1 ZINC000824206921 608596047 /nfs/dbraw/zinc/59/60/47/608596047.db2.gz LWIGRQGJRZRXON-OAHLLOKOSA-N -1 3 359.336 3.094 20 0 FGADHM CC(C)[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)cn1)c1ccc(F)c(F)c1 ZINC000824206921 608596051 /nfs/dbraw/zinc/59/60/51/608596051.db2.gz LWIGRQGJRZRXON-OAHLLOKOSA-N -1 3 359.336 3.094 20 0 FGADHM CCCOc1ccc(NC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000825339413 608615047 /nfs/dbraw/zinc/61/50/47/608615047.db2.gz ZJZSPVDOWIPKLY-UHFFFAOYSA-N -1 3 370.388 3.116 20 0 FGADHM CCCOc1ccc(NC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000825339413 608615048 /nfs/dbraw/zinc/61/50/48/608615048.db2.gz ZJZSPVDOWIPKLY-UHFFFAOYSA-N -1 3 370.388 3.116 20 0 FGADHM FC(F)(F)[C@@H]1C[C@@H](C(F)(F)F)CN(Cc2ccc(-c3nn[n-]n3)o2)C1 ZINC000826367177 608620305 /nfs/dbraw/zinc/62/03/05/608620305.db2.gz ORLHXPFKNLJLBO-HTQZYQBOSA-N -1 3 369.269 3.022 20 0 FGADHM Oc1ccc(CN(Cc2ccco2)Cc2ccc(-c3nnn[n-]3)s2)cc1 ZINC000826511277 608678471 /nfs/dbraw/zinc/67/84/71/608678471.db2.gz JCNMGOASFVWUEX-UHFFFAOYSA-N -1 3 367.434 3.429 20 0 FGADHM Oc1ccc(CN(Cc2ccco2)Cc2ccc(-c3nn[n-]n3)s2)cc1 ZINC000826511277 608678473 /nfs/dbraw/zinc/67/84/73/608678473.db2.gz JCNMGOASFVWUEX-UHFFFAOYSA-N -1 3 367.434 3.429 20 0 FGADHM CC[C@H](c1ccccc1)N(CC(=O)OC)Cc1ccc(-c2nnn[n-]2)s1 ZINC000825158991 608744429 /nfs/dbraw/zinc/74/44/29/608744429.db2.gz GPMZCIXCUOGXBF-OAHLLOKOSA-N -1 3 371.466 3.055 20 0 FGADHM COc1cc(F)cc(CNc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)c1 ZINC000826180547 608799044 /nfs/dbraw/zinc/79/90/44/608799044.db2.gz MEHFQZQWJNSLKX-UHFFFAOYSA-N -1 3 368.294 3.040 20 0 FGADHM COc1cc(F)cc(CNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)c1 ZINC000826180547 608799045 /nfs/dbraw/zinc/79/90/45/608799045.db2.gz MEHFQZQWJNSLKX-UHFFFAOYSA-N -1 3 368.294 3.040 20 0 FGADHM CC(C)(C)OC(=O)c1cccc(C(=O)Nc2sccc2-c2nnn[n-]2)c1 ZINC000824114471 608827486 /nfs/dbraw/zinc/82/74/86/608827486.db2.gz SFJYLGSYBUIWGL-UHFFFAOYSA-N -1 3 371.422 3.136 20 0 FGADHM CC(C)(C)OC(=O)c1cccc(C(=O)Nc2sccc2-c2nn[n-]n2)c1 ZINC000824114471 608827492 /nfs/dbraw/zinc/82/74/92/608827492.db2.gz SFJYLGSYBUIWGL-UHFFFAOYSA-N -1 3 371.422 3.136 20 0 FGADHM CN(Cc1cc(-c2nnn[n-]2)cs1)Cc1sccc1Br ZINC000825953688 608831571 /nfs/dbraw/zinc/83/15/71/608831571.db2.gz LOIHDAOIPNZCCP-UHFFFAOYSA-N -1 3 370.301 3.384 20 0 FGADHM CN(Cc1cc(-c2nn[n-]n2)cs1)Cc1sccc1Br ZINC000825953688 608831573 /nfs/dbraw/zinc/83/15/73/608831573.db2.gz LOIHDAOIPNZCCP-UHFFFAOYSA-N -1 3 370.301 3.384 20 0 FGADHM FC(F)(F)Cc1ccccc1NCc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000826367817 608861550 /nfs/dbraw/zinc/86/15/50/608861550.db2.gz PPEGBJRFHPPMCK-UHFFFAOYSA-N -1 3 373.342 3.231 20 0 FGADHM FC(F)(F)Cc1ccccc1NCc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000826367817 608861551 /nfs/dbraw/zinc/86/15/51/608861551.db2.gz PPEGBJRFHPPMCK-UHFFFAOYSA-N -1 3 373.342 3.231 20 0 FGADHM CC(C)Oc1ncccc1CN[C@H](C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824337777 609133044 /nfs/dbraw/zinc/13/30/44/609133044.db2.gz GPNQSQBLCVDNGV-GFCCVEGCSA-N -1 3 356.405 3.039 20 0 FGADHM CC(C)Oc1ncccc1CN[C@H](C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824337777 609133046 /nfs/dbraw/zinc/13/30/46/609133046.db2.gz GPNQSQBLCVDNGV-GFCCVEGCSA-N -1 3 356.405 3.039 20 0 FGADHM CCCCOc1ncccc1CN[C@@H](C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000825296259 609137113 /nfs/dbraw/zinc/13/71/13/609137113.db2.gz ATHVIRVRYMNTLI-ZDUSSCGKSA-N -1 3 370.432 3.431 20 0 FGADHM CCCCOc1ncccc1CN[C@@H](C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000825296259 609137114 /nfs/dbraw/zinc/13/71/14/609137114.db2.gz ATHVIRVRYMNTLI-ZDUSSCGKSA-N -1 3 370.432 3.431 20 0 FGADHM O=C(c1sccc1-c1nnn[n-]1)N1CCC[C@@H]1/C=C/c1ccccc1 ZINC000826475576 609138941 /nfs/dbraw/zinc/13/89/41/609138941.db2.gz KGGMAYMCIZCKSH-MYSGNRETSA-N -1 3 351.435 3.246 20 0 FGADHM O=C(c1sccc1-c1nn[n-]n1)N1CCC[C@@H]1/C=C/c1ccccc1 ZINC000826475576 609138943 /nfs/dbraw/zinc/13/89/43/609138943.db2.gz KGGMAYMCIZCKSH-MYSGNRETSA-N -1 3 351.435 3.246 20 0 FGADHM O=C1CCCN1c1cccc(N[C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)c1 ZINC000826480770 609163052 /nfs/dbraw/zinc/16/30/52/609163052.db2.gz PMDFPLXJBCWJGL-LJQANCHMSA-N -1 3 374.448 3.483 20 0 FGADHM O=C1CCCN1c1cccc(N[C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)c1 ZINC000826480770 609163054 /nfs/dbraw/zinc/16/30/54/609163054.db2.gz PMDFPLXJBCWJGL-LJQANCHMSA-N -1 3 374.448 3.483 20 0 FGADHM c1cc2c(ccnc2NCc2nc(-c3cccc(-c4nnn[n-]4)c3)c[nH]2)o1 ZINC000826512523 609167164 /nfs/dbraw/zinc/16/71/64/609167164.db2.gz DLSFIGJIFKRRLO-UHFFFAOYSA-N -1 3 358.365 3.010 20 0 FGADHM c1cc2c(ccnc2NCc2nc(-c3cccc(-c4nn[n-]n4)c3)c[nH]2)o1 ZINC000826512523 609167165 /nfs/dbraw/zinc/16/71/65/609167165.db2.gz DLSFIGJIFKRRLO-UHFFFAOYSA-N -1 3 358.365 3.010 20 0 FGADHM CC(C)C[C@@H]1C[C@H](Nc2cc(-c3nnn[n-]3)c3ccccc3n2)CCO1 ZINC000824243584 609170964 /nfs/dbraw/zinc/17/09/64/609170964.db2.gz JNIPCYTZGPOMAZ-ZIAGYGMSSA-N -1 3 352.442 3.421 20 0 FGADHM CC(C)C[C@@H]1C[C@H](Nc2cc(-c3nn[n-]n3)c3ccccc3n2)CCO1 ZINC000824243584 609170965 /nfs/dbraw/zinc/17/09/65/609170965.db2.gz JNIPCYTZGPOMAZ-ZIAGYGMSSA-N -1 3 352.442 3.421 20 0 FGADHM COc1ccc(CSCc2ncc(C)c(OC)c2C)cc1-c1nnn[n-]1 ZINC000826207967 609185124 /nfs/dbraw/zinc/18/51/24/609185124.db2.gz MPCHKOXXMTYWJQ-UHFFFAOYSA-N -1 3 371.466 3.329 20 0 FGADHM COc1ccc(CSCc2ncc(C)c(OC)c2C)cc1-c1nn[n-]n1 ZINC000826207967 609185125 /nfs/dbraw/zinc/18/51/25/609185125.db2.gz MPCHKOXXMTYWJQ-UHFFFAOYSA-N -1 3 371.466 3.329 20 0 FGADHM Fc1ccc2c(c1)OCCC[C@H]2NCc1ccc(-c2nn[n-]n2)cc1F ZINC000826375918 609188616 /nfs/dbraw/zinc/18/86/16/609188616.db2.gz HDLBPJYGMCZSNC-MRXNPFEDSA-N -1 3 357.364 3.148 20 0 FGADHM C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000824763613 609193551 /nfs/dbraw/zinc/19/35/51/609193551.db2.gz OAFJMOMODSMCLI-MRVPVSSYSA-N -1 3 365.224 3.335 20 0 FGADHM C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000824763613 609193553 /nfs/dbraw/zinc/19/35/53/609193553.db2.gz OAFJMOMODSMCLI-MRVPVSSYSA-N -1 3 365.224 3.335 20 0 FGADHM COc1ccc(N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1NC(C)=O ZINC000826210568 609237562 /nfs/dbraw/zinc/23/75/62/609237562.db2.gz WTMLDTHGRYCXDP-NSHDSACASA-N -1 3 352.398 3.007 20 0 FGADHM COc1ccc(N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1NC(C)=O ZINC000826210568 609237561 /nfs/dbraw/zinc/23/75/61/609237561.db2.gz WTMLDTHGRYCXDP-NSHDSACASA-N -1 3 352.398 3.007 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCc1ncc(Cl)cc1Cl ZINC000826252916 609242871 /nfs/dbraw/zinc/24/28/71/609242871.db2.gz XZTFQDGTWOEYTH-UHFFFAOYSA-N -1 3 364.192 3.234 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCc1ncc(Cl)cc1Cl ZINC000826252916 609242873 /nfs/dbraw/zinc/24/28/73/609242873.db2.gz XZTFQDGTWOEYTH-UHFFFAOYSA-N -1 3 364.192 3.234 20 0 FGADHM Cc1cc(NCc2cccc(OCc3ccccc3-c3nnn[n-]3)c2)no1 ZINC000826271267 609264820 /nfs/dbraw/zinc/26/48/20/609264820.db2.gz KJJIPMCPKBNYHZ-UHFFFAOYSA-N -1 3 362.393 3.354 20 0 FGADHM Cc1cc(NCc2cccc(OCc3ccccc3-c3nn[n-]n3)c2)no1 ZINC000826271267 609264821 /nfs/dbraw/zinc/26/48/21/609264821.db2.gz KJJIPMCPKBNYHZ-UHFFFAOYSA-N -1 3 362.393 3.354 20 0 FGADHM CC(=O)Nc1ccc(N[C@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)cc1C ZINC000823999847 609266978 /nfs/dbraw/zinc/26/69/78/609266978.db2.gz JIRREOOUKRLLMQ-LLVKDONJSA-N -1 3 354.389 3.446 20 0 FGADHM CC(=O)Nc1ccc(N[C@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)cc1C ZINC000823999847 609266980 /nfs/dbraw/zinc/26/69/80/609266980.db2.gz JIRREOOUKRLLMQ-LLVKDONJSA-N -1 3 354.389 3.446 20 0 FGADHM COc1cc(N[C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)cc(OC)c1 ZINC000826180286 609267454 /nfs/dbraw/zinc/26/74/54/609267454.db2.gz AHJJAGKLZJBRKR-GOSISDBHSA-N -1 3 351.410 3.373 20 0 FGADHM COc1cc(N[C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)cc(OC)c1 ZINC000826180286 609267455 /nfs/dbraw/zinc/26/74/55/609267455.db2.gz AHJJAGKLZJBRKR-GOSISDBHSA-N -1 3 351.410 3.373 20 0 FGADHM Cc1nc2cc(NC(=O)C=Cc3ccccc3-c3nnn[n-]3)ccc2s1 ZINC000826328570 609287565 /nfs/dbraw/zinc/28/75/65/609287565.db2.gz WFADXOHBGIKPPB-RMKNXTFCSA-N -1 3 362.418 3.437 20 0 FGADHM Cc1nc2cc(NC(=O)C=Cc3ccccc3-c3nn[n-]n3)ccc2s1 ZINC000826328570 609287566 /nfs/dbraw/zinc/28/75/66/609287566.db2.gz WFADXOHBGIKPPB-RMKNXTFCSA-N -1 3 362.418 3.437 20 0 FGADHM O=C(c1ccc(Cl)c(-c2nnn[n-]2)c1)N1CCC[C@H]1c1ccccc1 ZINC000826472998 609288064 /nfs/dbraw/zinc/28/80/64/609288064.db2.gz GHQSHRXEUGEPBV-INIZCTEOSA-N -1 3 353.813 3.497 20 0 FGADHM O=C(c1ccc(Cl)c(-c2nn[n-]n2)c1)N1CCC[C@H]1c1ccccc1 ZINC000826472998 609288066 /nfs/dbraw/zinc/28/80/66/609288066.db2.gz GHQSHRXEUGEPBV-INIZCTEOSA-N -1 3 353.813 3.497 20 0 FGADHM CC(C)(C)CCCC(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000824085146 609288158 /nfs/dbraw/zinc/28/81/58/609288158.db2.gz CGPWHCCPOPTNJV-UHFFFAOYSA-N -1 3 371.420 3.346 20 0 FGADHM CC(C)C[C@H](C)CC(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000824227697 609291963 /nfs/dbraw/zinc/29/19/63/609291963.db2.gz ALWHKNXQMDUDIL-LBPRGKRZSA-N -1 3 371.420 3.202 20 0 FGADHM CC(C(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1)=C1CCCC1 ZINC000824045220 609312368 /nfs/dbraw/zinc/31/23/68/609312368.db2.gz JKMVVCXWGLBKSC-UHFFFAOYSA-N -1 3 367.388 3.021 20 0 FGADHM O=C(NCc1ccoc1)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826443221 609318376 /nfs/dbraw/zinc/31/83/76/609318376.db2.gz GUSMTQOBOPSJLD-UHFFFAOYSA-N -1 3 361.361 3.182 20 0 FGADHM O=C(NCc1ccoc1)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826443221 609318378 /nfs/dbraw/zinc/31/83/78/609318378.db2.gz GUSMTQOBOPSJLD-UHFFFAOYSA-N -1 3 361.361 3.182 20 0 FGADHM Cc1cc(CNc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)c(C)s1 ZINC000826267036 609320029 /nfs/dbraw/zinc/32/00/29/609320029.db2.gz MKHDGRCQDLWFOT-UHFFFAOYSA-N -1 3 369.429 3.482 20 0 FGADHM CCc1nnc(N[C@@H]2CCO[C@@H](C(CC)CC)C2)c(-c2nnn[n-]2)c1CC ZINC000825767919 609322873 /nfs/dbraw/zinc/32/28/73/609322873.db2.gz UKPIOTMRIPRMEV-CZUORRHYSA-N -1 3 373.505 3.177 20 0 FGADHM CCc1nnc(N[C@@H]2CCO[C@@H](C(CC)CC)C2)c(-c2nn[n-]n2)c1CC ZINC000825767919 609322875 /nfs/dbraw/zinc/32/28/75/609322875.db2.gz UKPIOTMRIPRMEV-CZUORRHYSA-N -1 3 373.505 3.177 20 0 FGADHM C[C@H]1CN(C(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)C[C@@H]1C ZINC000824977832 609325037 /nfs/dbraw/zinc/32/50/37/609325037.db2.gz SKDAITJLLCJCGG-KBPBESRZSA-N -1 3 363.421 3.387 20 0 FGADHM C[C@H]1CN(C(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)C[C@@H]1C ZINC000824977832 609325041 /nfs/dbraw/zinc/32/50/41/609325041.db2.gz SKDAITJLLCJCGG-KBPBESRZSA-N -1 3 363.421 3.387 20 0 FGADHM CC(C)=C(C)C(=O)OCc1ccc(-c2nnn[n-]2)cc1Br ZINC000824178533 609347667 /nfs/dbraw/zinc/34/76/67/609347667.db2.gz WJKFEJHDCVQXIT-UHFFFAOYSA-N -1 3 351.204 3.029 20 0 FGADHM CC(C)=C(C)C(=O)OCc1ccc(-c2nn[n-]n2)cc1Br ZINC000824178533 609347669 /nfs/dbraw/zinc/34/76/69/609347669.db2.gz WJKFEJHDCVQXIT-UHFFFAOYSA-N -1 3 351.204 3.029 20 0 FGADHM CC(C)C(=O)COC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000824178585 609352714 /nfs/dbraw/zinc/35/27/14/609352714.db2.gz YTYMKYSLOBVGCH-UHFFFAOYSA-N -1 3 366.377 3.041 20 0 FGADHM CC(C)C(=O)COC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000824178585 609352716 /nfs/dbraw/zinc/35/27/16/609352716.db2.gz YTYMKYSLOBVGCH-UHFFFAOYSA-N -1 3 366.377 3.041 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C[C@H]1CCO[C@H](C(C)C)C1 ZINC000825621868 609378345 /nfs/dbraw/zinc/37/83/45/609378345.db2.gz ZQQKFYFXDRNAJY-GUYCJALGSA-N -1 3 373.457 3.045 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C[C@H]1CCO[C@H](C(C)C)C1 ZINC000825621868 609378347 /nfs/dbraw/zinc/37/83/47/609378347.db2.gz ZQQKFYFXDRNAJY-GUYCJALGSA-N -1 3 373.457 3.045 20 0 FGADHM Cn1ccc(CNc2ccc(Oc3ccccc3-c3nnn[n-]3)c(F)c2)n1 ZINC000826363392 609381858 /nfs/dbraw/zinc/38/18/58/609381858.db2.gz KKNIVYREZIFFCU-UHFFFAOYSA-N -1 3 365.372 3.144 20 0 FGADHM Cn1ccc(CNc2ccc(Oc3ccccc3-c3nn[n-]n3)c(F)c2)n1 ZINC000826363392 609381862 /nfs/dbraw/zinc/38/18/62/609381862.db2.gz KKNIVYREZIFFCU-UHFFFAOYSA-N -1 3 365.372 3.144 20 0 FGADHM O=C(Nc1ccc(OCc2ccccc2)cc1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826454648 609406984 /nfs/dbraw/zinc/40/69/84/609406984.db2.gz FDIORANQQDGDKC-UHFFFAOYSA-N -1 3 360.377 3.026 20 0 FGADHM O=C(Nc1ccc(OCc2ccccc2)cc1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826454648 609406986 /nfs/dbraw/zinc/40/69/86/609406986.db2.gz FDIORANQQDGDKC-UHFFFAOYSA-N -1 3 360.377 3.026 20 0 FGADHM CC(C)C[C@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)C(=O)OC(C)(C)C ZINC000824237722 609426813 /nfs/dbraw/zinc/42/68/13/609426813.db2.gz UWXYMELORYGBOA-LBPRGKRZSA-N -1 3 366.853 3.083 20 0 FGADHM CC(C)C[C@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)C(=O)OC(C)(C)C ZINC000824237722 609426815 /nfs/dbraw/zinc/42/68/15/609426815.db2.gz UWXYMELORYGBOA-LBPRGKRZSA-N -1 3 366.853 3.083 20 0 FGADHM CC1(C)CCc2ccc(OC[C@@H](O)c3ccc(-c4nnn[n-]4)cc3)cc2O1 ZINC000824808422 609441350 /nfs/dbraw/zinc/44/13/50/609441350.db2.gz RJJYQEMFRJEIEN-QGZVFWFLSA-N -1 3 366.421 3.083 20 0 FGADHM CC1(C)CCc2ccc(OC[C@@H](O)c3ccc(-c4nn[n-]n4)cc3)cc2O1 ZINC000824808422 609441352 /nfs/dbraw/zinc/44/13/52/609441352.db2.gz RJJYQEMFRJEIEN-QGZVFWFLSA-N -1 3 366.421 3.083 20 0 FGADHM CSCCCCCCNC(=S)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000826228405 609444646 /nfs/dbraw/zinc/44/46/46/609444646.db2.gz NQZWCSJCOLLIDU-UHFFFAOYSA-N -1 3 364.544 3.385 20 0 FGADHM CSCCCCCCNC(=S)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000826228405 609444648 /nfs/dbraw/zinc/44/46/48/609444648.db2.gz NQZWCSJCOLLIDU-UHFFFAOYSA-N -1 3 364.544 3.385 20 0 FGADHM Fc1cccc(CNc2ccn(-c3ccc(Cl)cc3-c3nnn[n-]3)n2)c1 ZINC000826376755 609447089 /nfs/dbraw/zinc/44/70/89/609447089.db2.gz QMRQFZQVXHSSQM-UHFFFAOYSA-N -1 3 369.791 3.457 20 0 FGADHM Fc1cccc(CNc2ccn(-c3ccc(Cl)cc3-c3nn[n-]n3)n2)c1 ZINC000826376755 609447090 /nfs/dbraw/zinc/44/70/90/609447090.db2.gz QMRQFZQVXHSSQM-UHFFFAOYSA-N -1 3 369.791 3.457 20 0 FGADHM Clc1ccc(-n2ccc(NCc3ccccc3)n2)c(-c2nnn[n-]2)c1 ZINC000826351379 609449189 /nfs/dbraw/zinc/44/91/89/609449189.db2.gz KIVHKJJPPFJWMD-UHFFFAOYSA-N -1 3 351.801 3.318 20 0 FGADHM Clc1ccc(-n2ccc(NCc3ccccc3)n2)c(-c2nn[n-]n2)c1 ZINC000826351379 609449191 /nfs/dbraw/zinc/44/91/91/609449191.db2.gz KIVHKJJPPFJWMD-UHFFFAOYSA-N -1 3 351.801 3.318 20 0 FGADHM O=C(Nc1ccc(OC2CCCCC2)cc1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826455078 609464324 /nfs/dbraw/zinc/46/43/24/609464324.db2.gz YBFVLOBLQRKNIY-UHFFFAOYSA-N -1 3 352.398 3.159 20 0 FGADHM O=C(Nc1ccc(OC2CCCCC2)cc1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826455078 609464327 /nfs/dbraw/zinc/46/43/27/609464327.db2.gz YBFVLOBLQRKNIY-UHFFFAOYSA-N -1 3 352.398 3.159 20 0 FGADHM COc1ccc(CNc2cc(-c3nnn[n-]3)ccc2OC(C)C)c(OC)c1 ZINC000826203253 609477787 /nfs/dbraw/zinc/47/77/87/609477787.db2.gz GSXMVTBXBZFPGC-UHFFFAOYSA-N -1 3 369.425 3.283 20 0 FGADHM COc1ccc(CNc2cc(-c3nn[n-]n3)ccc2OC(C)C)c(OC)c1 ZINC000826203253 609477788 /nfs/dbraw/zinc/47/77/88/609477788.db2.gz GSXMVTBXBZFPGC-UHFFFAOYSA-N -1 3 369.425 3.283 20 0 FGADHM COC(=O)C(C)(C)c1ccc(NCc2cccc(-c3nnn[n-]3)c2F)cc1 ZINC000826098744 609478357 /nfs/dbraw/zinc/47/83/57/609478357.db2.gz NJEQNUWJVZBJOA-UHFFFAOYSA-N -1 3 369.400 3.069 20 0 FGADHM COC(=O)C(C)(C)c1ccc(NCc2cccc(-c3nn[n-]n3)c2F)cc1 ZINC000826098744 609478359 /nfs/dbraw/zinc/47/83/59/609478359.db2.gz NJEQNUWJVZBJOA-UHFFFAOYSA-N -1 3 369.400 3.069 20 0 FGADHM Cc1n[nH]cc1CNc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826322706 609484291 /nfs/dbraw/zinc/48/42/91/609484291.db2.gz YEVLKEUDQSVPMM-UHFFFAOYSA-N -1 3 361.409 3.089 20 0 FGADHM c1ccc(CNc2ccc(OCc3cccc(-c4nnn[n-]4)c3)cc2)nc1 ZINC000826521387 609485362 /nfs/dbraw/zinc/48/53/62/609485362.db2.gz KEXOGPXTKPULOG-UHFFFAOYSA-N -1 3 358.405 3.453 20 0 FGADHM c1ccc(CNc2ccc(OCc3cccc(-c4nn[n-]n4)c3)cc2)nc1 ZINC000826521387 609485364 /nfs/dbraw/zinc/48/53/64/609485364.db2.gz KEXOGPXTKPULOG-UHFFFAOYSA-N -1 3 358.405 3.453 20 0 FGADHM CCOC(=O)Nc1ccc(NCc2ccccc2OC)cc1-c1nnn[n-]1 ZINC000825553804 609488387 /nfs/dbraw/zinc/48/83/87/609488387.db2.gz XLMORTDVQHSXSH-UHFFFAOYSA-N -1 3 368.397 3.056 20 0 FGADHM CCOC(=O)Nc1ccc(NCc2ccccc2OC)cc1-c1nn[n-]n1 ZINC000825553804 609488389 /nfs/dbraw/zinc/48/83/89/609488389.db2.gz XLMORTDVQHSXSH-UHFFFAOYSA-N -1 3 368.397 3.056 20 0 FGADHM C[C@H]1CCC[C@@H]1C(=O)Nc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000824925555 609512149 /nfs/dbraw/zinc/51/21/49/609512149.db2.gz FDHOXXBOEIDPBJ-JQWIXIFHSA-N -1 3 371.832 3.081 20 0 FGADHM CCC[C@@H]1C[C@@H](C(=O)N(CC)[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000825251249 609523324 /nfs/dbraw/zinc/52/33/24/609523324.db2.gz BJGAQMNNJMNKJO-JCGIZDLHSA-N -1 3 371.485 3.372 20 0 FGADHM CCC[C@@H]1C[C@@H](C(=O)N(CC)[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000825251249 609523325 /nfs/dbraw/zinc/52/33/25/609523325.db2.gz BJGAQMNNJMNKJO-JCGIZDLHSA-N -1 3 371.485 3.372 20 0 FGADHM Cc1cnc(C(=O)N(CC(C)C)c2ccc(-c3nnn[n-]3)cc2)c(C)c1 ZINC000826317335 609524035 /nfs/dbraw/zinc/52/40/35/609524035.db2.gz YPCUDTQGDNKIFU-UHFFFAOYSA-N -1 3 350.426 3.181 20 0 FGADHM Cc1cnc(C(=O)N(CC(C)C)c2ccc(-c3nn[n-]n3)cc2)c(C)c1 ZINC000826317335 609524037 /nfs/dbraw/zinc/52/40/37/609524037.db2.gz YPCUDTQGDNKIFU-UHFFFAOYSA-N -1 3 350.426 3.181 20 0 FGADHM Cc1ccnc(NCCc2ccc(Br)s2)c1-c1nnn[n-]1 ZINC000826314366 609528103 /nfs/dbraw/zinc/52/81/03/609528103.db2.gz SUNGYXJXCCGJIY-UHFFFAOYSA-N -1 3 365.260 3.049 20 0 FGADHM Cc1ccnc(NCCc2ccc(Br)s2)c1-c1nn[n-]n1 ZINC000826314366 609528104 /nfs/dbraw/zinc/52/81/04/609528104.db2.gz SUNGYXJXCCGJIY-UHFFFAOYSA-N -1 3 365.260 3.049 20 0 FGADHM C[C@H](Nc1nnc(Cc2ccccc2)s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824670498 609532335 /nfs/dbraw/zinc/53/23/35/609532335.db2.gz QBHOVSMFVNAULD-LBPRGKRZSA-N -1 3 363.450 3.482 20 0 FGADHM C[C@H](Nc1nnc(Cc2ccccc2)s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824670498 609532337 /nfs/dbraw/zinc/53/23/37/609532337.db2.gz QBHOVSMFVNAULD-LBPRGKRZSA-N -1 3 363.450 3.482 20 0 FGADHM COc1cc(C)c([C@H](C)Nc2nccc(C)c2-c2nnn[n-]2)cc1OC ZINC000826177947 609534085 /nfs/dbraw/zinc/53/40/85/609534085.db2.gz CGYDUMNXTZGYOO-LBPRGKRZSA-N -1 3 354.414 3.069 20 0 FGADHM COc1cc(C)c([C@H](C)Nc2nccc(C)c2-c2nn[n-]n2)cc1OC ZINC000826177947 609534087 /nfs/dbraw/zinc/53/40/87/609534087.db2.gz CGYDUMNXTZGYOO-LBPRGKRZSA-N -1 3 354.414 3.069 20 0 FGADHM Cc1c(Cl)cnc(NCc2ccn(-c3ccccc3)n2)c1-c1nnn[n-]1 ZINC000826240201 609537208 /nfs/dbraw/zinc/53/72/08/609537208.db2.gz IIUSDEFHJLEUOS-UHFFFAOYSA-N -1 3 366.816 3.021 20 0 FGADHM Cc1c(Cl)cnc(NCc2ccn(-c3ccccc3)n2)c1-c1nn[n-]n1 ZINC000826240201 609537211 /nfs/dbraw/zinc/53/72/11/609537211.db2.gz IIUSDEFHJLEUOS-UHFFFAOYSA-N -1 3 366.816 3.021 20 0 FGADHM Cc1ccnc(N(C)C[C@H]2CCCO[C@@H]2c2ccccc2)c1-c1nnn[n-]1 ZINC000826309662 609542876 /nfs/dbraw/zinc/54/28/76/609542876.db2.gz XENKTJVKFDCZHV-SJLPKXTDSA-N -1 3 364.453 3.174 20 0 FGADHM Cc1ccnc(N(C)C[C@H]2CCCO[C@@H]2c2ccccc2)c1-c1nn[n-]n1 ZINC000826309662 609542878 /nfs/dbraw/zinc/54/28/78/609542878.db2.gz XENKTJVKFDCZHV-SJLPKXTDSA-N -1 3 364.453 3.174 20 0 FGADHM COc1ccc(CC2CCN(c3nccc(C)c3-c3nnn[n-]3)CC2)cc1 ZINC000826191533 609543629 /nfs/dbraw/zinc/54/36/29/609543629.db2.gz JBAJGAYBYVNDIT-UHFFFAOYSA-N -1 3 364.453 3.038 20 0 FGADHM COc1ccc(CC2CCN(c3nccc(C)c3-c3nn[n-]n3)CC2)cc1 ZINC000826191533 609543631 /nfs/dbraw/zinc/54/36/31/609543631.db2.gz JBAJGAYBYVNDIT-UHFFFAOYSA-N -1 3 364.453 3.038 20 0 FGADHM Cc1c(Cl)cnc(NC[C@H]2CCc3ccccc3N2)c1-c1nnn[n-]1 ZINC000826239472 609547355 /nfs/dbraw/zinc/54/73/55/609547355.db2.gz IJJCXZMMSBDELZ-GFCCVEGCSA-N -1 3 355.833 3.062 20 0 FGADHM Cc1c(Cl)cnc(NC[C@H]2CCc3ccccc3N2)c1-c1nn[n-]n1 ZINC000826239472 609547358 /nfs/dbraw/zinc/54/73/58/609547358.db2.gz IJJCXZMMSBDELZ-GFCCVEGCSA-N -1 3 355.833 3.062 20 0 FGADHM COc1cccc(O[C@@H](C)CNc2ncc(Cl)c(C)c2-c2nnn[n-]2)c1 ZINC000826217701 609561290 /nfs/dbraw/zinc/56/12/90/609561290.db2.gz YTQBEQNHVHLVPV-JTQLQIEISA-N -1 3 374.832 3.112 20 0 FGADHM COc1cccc(O[C@@H](C)CNc2ncc(Cl)c(C)c2-c2nn[n-]n2)c1 ZINC000826217701 609561291 /nfs/dbraw/zinc/56/12/91/609561291.db2.gz YTQBEQNHVHLVPV-JTQLQIEISA-N -1 3 374.832 3.112 20 0 FGADHM Cc1c(Cl)cnc(N2CCC[C@H](Nc3ccccc3)C2)c1-c1nnn[n-]1 ZINC000826237462 609576689 /nfs/dbraw/zinc/57/66/89/609576689.db2.gz AQHWMNVAJUNYAC-AWEZNQCLSA-N -1 3 369.860 3.304 20 0 FGADHM Cc1c(Cl)cnc(N2CCC[C@H](Nc3ccccc3)C2)c1-c1nn[n-]n1 ZINC000826237462 609576690 /nfs/dbraw/zinc/57/66/90/609576690.db2.gz AQHWMNVAJUNYAC-AWEZNQCLSA-N -1 3 369.860 3.304 20 0 FGADHM Cc1ccc(C(F)(F)C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826283890 609589573 /nfs/dbraw/zinc/58/95/73/609589573.db2.gz DKXPADAQWCOIPI-GFCCVEGCSA-N -1 3 357.364 3.144 20 0 FGADHM Cc1ccc(C(F)(F)C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826283890 609589575 /nfs/dbraw/zinc/58/95/75/609589575.db2.gz DKXPADAQWCOIPI-GFCCVEGCSA-N -1 3 357.364 3.144 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)c1ccc([C@@H]2CCCOC2)cc1 ZINC000826453891 609594056 /nfs/dbraw/zinc/59/40/56/609594056.db2.gz CRZOMASQLUDJMB-CQSZACIVSA-N -1 3 367.384 3.152 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)c1ccc([C@@H]2CCCOC2)cc1 ZINC000826453891 609594059 /nfs/dbraw/zinc/59/40/59/609594059.db2.gz CRZOMASQLUDJMB-CQSZACIVSA-N -1 3 367.384 3.152 20 0 FGADHM C[C@H]1CC[C@H](C(F)(F)F)CN1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000824909814 609606495 /nfs/dbraw/zinc/60/64/95/609606495.db2.gz VCKSGAUKEJOZKP-ONGXEEELSA-N -1 3 354.336 3.061 20 0 FGADHM C[C@H]1CC[C@H](C(F)(F)F)CN1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000824909814 609606496 /nfs/dbraw/zinc/60/64/96/609606496.db2.gz VCKSGAUKEJOZKP-ONGXEEELSA-N -1 3 354.336 3.061 20 0 FGADHM C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000824907729 609606661 /nfs/dbraw/zinc/60/66/61/609606661.db2.gz JRVHYLJDDXFYRU-KOLCDFICSA-N -1 3 354.336 3.061 20 0 FGADHM C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000824907729 609606663 /nfs/dbraw/zinc/60/66/63/609606663.db2.gz JRVHYLJDDXFYRU-KOLCDFICSA-N -1 3 354.336 3.061 20 0 FGADHM COc1cc(CC(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)ccc1C ZINC000826179054 609615751 /nfs/dbraw/zinc/61/57/51/609615751.db2.gz XIKXVDIJSOCRAP-UHFFFAOYSA-N -1 3 372.812 3.123 20 0 FGADHM COc1cc(CC(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)ccc1C ZINC000826179054 609615752 /nfs/dbraw/zinc/61/57/52/609615752.db2.gz XIKXVDIJSOCRAP-UHFFFAOYSA-N -1 3 372.812 3.123 20 0 FGADHM O=C(OCc1ccc(Cl)cc1-c1nnn[n-]1)C1(c2cccc(F)c2)CC1 ZINC000826465291 609618995 /nfs/dbraw/zinc/61/89/95/609618995.db2.gz HAMVKFSSBAEWKI-UHFFFAOYSA-N -1 3 372.787 3.434 20 0 FGADHM O=C(OCc1ccc(Cl)cc1-c1nn[n-]n1)C1(c2cccc(F)c2)CC1 ZINC000826465291 609618996 /nfs/dbraw/zinc/61/89/96/609618996.db2.gz HAMVKFSSBAEWKI-UHFFFAOYSA-N -1 3 372.787 3.434 20 0 FGADHM O=S(=O)([N-]c1ccccc1F)c1cccc(NC(=S)NC2CC2)c1 ZINC000007517234 695570848 /nfs/dbraw/zinc/57/08/48/695570848.db2.gz QXOCSBGBMZSPFC-UHFFFAOYSA-N -1 3 365.455 3.075 20 0 FGADHM O=S(=O)([N-]Cc1ccccc1Cn1cccn1)c1ccc(Cl)s1 ZINC000010959132 695595367 /nfs/dbraw/zinc/59/53/67/695595367.db2.gz LHSKOXHOYDWEOS-UHFFFAOYSA-N -1 3 367.883 3.125 20 0 FGADHM COc1ccc(C(=O)COC(=O)c2ccc([O-])cc2)cc1Br ZINC000011077828 695596567 /nfs/dbraw/zinc/59/65/67/695596567.db2.gz CPRFSWWXMXTQSE-UHFFFAOYSA-N -1 3 365.179 3.203 20 0 FGADHM O=C([N-]NC(=S)Nc1ccc(SC(F)F)cc1)c1ccccn1 ZINC000016211051 695626561 /nfs/dbraw/zinc/62/65/61/695626561.db2.gz GDTUQNYUCIIXPT-UHFFFAOYSA-N -1 3 354.407 3.028 20 0 FGADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3cccc(C)c3N)nc(=O)c2c1C ZINC000022179212 695651370 /nfs/dbraw/zinc/65/13/70/695651370.db2.gz YVFIRZNWFJLNLU-SNVBAGLBSA-N -1 3 357.435 3.410 20 0 FGADHM COc1ccc(Cl)cc1COC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000029008513 695707906 /nfs/dbraw/zinc/70/79/06/695707906.db2.gz HWJLSXWBUWVLNV-UHFFFAOYSA-N -1 3 369.826 3.077 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1OC ZINC000030363368 695721924 /nfs/dbraw/zinc/72/19/24/695721924.db2.gz BGUQMMNFACEJPT-ZDUSSCGKSA-N -1 3 350.396 3.033 20 0 FGADHM C[C@H]1C[C@@H]1CNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000032394216 695743328 /nfs/dbraw/zinc/74/33/28/695743328.db2.gz NJNDLSXPPFUROB-GXTWGEPZSA-N -1 3 362.426 3.012 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2cccc(Cn3cccn3)c2)cc1C ZINC000032591953 695746480 /nfs/dbraw/zinc/74/64/80/695746480.db2.gz OFGWZIJRABFQPQ-UHFFFAOYSA-N -1 3 357.435 3.049 20 0 FGADHM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(CCCl)cc2)cc1 ZINC000042777396 695785191 /nfs/dbraw/zinc/78/51/91/695785191.db2.gz PBVHTZUMPGJDQY-UHFFFAOYSA-N -1 3 352.843 3.227 20 0 FGADHM O=S(=O)([N-]Cc1cn2cc(Cl)ccc2n1)c1cccc(Cl)c1F ZINC000042987320 695788037 /nfs/dbraw/zinc/78/80/37/695788037.db2.gz OZGFBIVHCVKRSI-UHFFFAOYSA-N -1 3 374.224 3.259 20 0 FGADHM CCCCC[C@@H](C)NC(=O)N[N-]C(=O)c1ccccc1Br ZINC000042994427 695788149 /nfs/dbraw/zinc/78/81/49/695788149.db2.gz FYWWNJIMBIDSAD-LLVKDONJSA-N -1 3 356.264 3.362 20 0 FGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)NC2CCCCCC2)ccc1F ZINC000043755596 695796665 /nfs/dbraw/zinc/79/66/65/695796665.db2.gz HOTPJLDQGIBWEL-UHFFFAOYSA-N -1 3 370.490 3.355 20 0 FGADHM O=C([N-]c1nc2ccc(OC(F)(F)F)cc2s1)c1cccc[n+]1[O-] ZINC000045015837 695815395 /nfs/dbraw/zinc/81/53/95/695815395.db2.gz QGVGICVIZSJNPQ-UHFFFAOYSA-N -1 3 355.297 3.081 20 0 FGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)CCc1cccc(Cl)c1 ZINC000045342001 695819877 /nfs/dbraw/zinc/81/98/77/695819877.db2.gz VWRBTPDDORXHPB-UHFFFAOYSA-N -1 3 352.843 3.283 20 0 FGADHM Cc1cc(C)cc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)c1 ZINC000046121013 695833225 /nfs/dbraw/zinc/83/32/25/695833225.db2.gz IMLVPWAURKXSRN-UHFFFAOYSA-N -1 3 364.442 3.382 20 0 FGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@@H]2CCCC[C@H]2C)ccc1F ZINC000046199720 695835272 /nfs/dbraw/zinc/83/52/72/695835272.db2.gz QMKHIFADOTWQGR-CZUORRHYSA-N -1 3 370.490 3.163 20 0 FGADHM O=S(=O)([N-]C[C@H](c1ccco1)N1CCCC1)c1ccc(Cl)cc1F ZINC000047031943 695849975 /nfs/dbraw/zinc/84/99/75/695849975.db2.gz CQSFEFBJOKBKKP-CQSZACIVSA-N -1 3 372.849 3.188 20 0 FGADHM C[C@@H](NC(=O)c1cc2c(cc1[O-])OCO2)c1cccc(OC(F)F)c1 ZINC000053265502 695928212 /nfs/dbraw/zinc/92/82/12/695928212.db2.gz LWBCVFPEBVEEKM-SECBINFHSA-N -1 3 351.305 3.213 20 0 FGADHM O=C([N-]c1nc(-c2ccccc2OC(F)F)cs1)c1cccc[n+]1[O-] ZINC000069499059 695950156 /nfs/dbraw/zinc/95/01/56/695950156.db2.gz TZIKJIRSGXZFCL-UHFFFAOYSA-N -1 3 363.345 3.297 20 0 FGADHM Cc1nc(C)c(CC(=O)O[C@@H]2CCC[C@H]2c2ccc(Cl)cc2)c(=O)[n-]1 ZINC000073278513 695967390 /nfs/dbraw/zinc/96/73/90/695967390.db2.gz MLYXVCBQJBRHEZ-DOTOQJQBSA-N -1 3 360.841 3.462 20 0 FGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2ccccc2)ccc1F ZINC000075691663 700217341 /nfs/dbraw/zinc/21/73/41/700217341.db2.gz GBGMURGWSONDLQ-UHFFFAOYSA-N -1 3 350.415 3.155 20 0 FGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(C(C)C)c2)ccc1F ZINC000084168834 700354596 /nfs/dbraw/zinc/35/45/96/700354596.db2.gz CHPBVJDAAQAXMB-UHFFFAOYSA-N -1 3 350.415 3.110 20 0 FGADHM Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)NN=c1cccn[n-]1 ZINC000092122490 700431534 /nfs/dbraw/zinc/43/15/34/700431534.db2.gz FDYNEJSFOMUFDD-UHFFFAOYSA-N -1 3 353.451 3.324 20 0 FGADHM CC(C)(C[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)c1ccncc1 ZINC000092264088 700433696 /nfs/dbraw/zinc/43/36/96/700433696.db2.gz ZJROAYYVMDEEMZ-UHFFFAOYSA-N -1 3 360.266 3.040 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)[C@@H](O)c1ccc(F)cc1 ZINC000119348247 700626276 /nfs/dbraw/zinc/62/62/76/700626276.db2.gz QECTZNAGPGLAOQ-RFAUZJTJSA-N -1 3 361.797 3.019 20 0 FGADHM O=C(CC1(N2CCOCC2)CCCC1)Nc1ccc2[n-]c(=S)oc2c1 ZINC000121127287 700666544 /nfs/dbraw/zinc/66/65/44/700666544.db2.gz WSINGUSTMCZIMB-UHFFFAOYSA-N -1 3 361.467 3.090 20 0 FGADHM O=S(=O)([N-]c1cccnc1Br)c1cccc2ncccc21 ZINC000121398122 700671600 /nfs/dbraw/zinc/67/16/00/700671600.db2.gz YDTCDFAKQSNLRL-UHFFFAOYSA-N -1 3 364.224 3.193 20 0 FGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)/C=C/c1nc2ccccc2s1 ZINC000122759948 700695175 /nfs/dbraw/zinc/69/51/75/700695175.db2.gz YPGNBGUMRWZWDH-ZHACJKMWSA-N -1 3 373.459 3.320 20 0 FGADHM O=S(=O)([N-]CC[C@@H](O)c1ccccc1)c1c(Cl)cccc1Cl ZINC000123140225 700700860 /nfs/dbraw/zinc/70/08/60/700700860.db2.gz KOLLEHLCKSQMMP-CQSZACIVSA-N -1 3 360.262 3.395 20 0 FGADHM C=C1c2ccccc2C(=O)N1CC(=O)Nc1ccc(Br)cc1[O-] ZINC000126002148 700742344 /nfs/dbraw/zinc/74/23/44/700742344.db2.gz NRXZTRPEFBZSRN-UHFFFAOYSA-N -1 3 373.206 3.220 20 0 FGADHM Cc1nc(CC(C)C)sc1C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000135554478 704849227 /nfs/dbraw/zinc/84/92/27/704849227.db2.gz BGVCEXDGXPBHLQ-UHFFFAOYSA-N 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/nfs/dbraw/zinc/11/98/68/705119868.db2.gz KRDXZEXBBUTYAT-UHFFFAOYSA-N -1 3 365.176 3.304 20 0 FGADHM C[C@H](Cc1cccc(Cl)c1)C(=O)NN=c1ccc(C(F)(F)F)n[n-]1 ZINC000161785809 705282946 /nfs/dbraw/zinc/28/29/46/705282946.db2.gz OQWUHOIAUYKIOP-SECBINFHSA-N -1 3 358.751 3.471 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)NC[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000163707460 705318625 /nfs/dbraw/zinc/31/86/25/705318625.db2.gz OMPSVZKIHRZNTO-HNNXBMFYSA-N -1 3 373.211 3.371 20 0 FGADHM Cc1csc([C@H]([N-]S(=O)(=O)c2cnc(Cl)c(C)c2)C2CC2)n1 ZINC000173468454 705460303 /nfs/dbraw/zinc/46/03/03/705460303.db2.gz BROMSKSWIHYCHP-GFCCVEGCSA-N -1 3 357.888 3.238 20 0 FGADHM CCc1ccc(S(=O)(=O)[N-]c2ccc(C)c(N3CCOC3=O)c2)cc1 ZINC000173577215 705464730 /nfs/dbraw/zinc/46/47/30/705464730.db2.gz IRDXUYAIMUHAOM-UHFFFAOYSA-N -1 3 360.435 3.315 20 0 FGADHM C[C@@H](CCc1cccn1C)[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000173608535 705465964 /nfs/dbraw/zinc/46/59/64/705465964.db2.gz AOSAMTCGUOLQMX-JTQLQIEISA-N -1 3 362.282 3.027 20 0 FGADHM 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ZINC000641363179 717892711 /nfs/dbraw/zinc/89/27/11/717892711.db2.gz PHQMFHBGCHPCJP-HIFRSBDPSA-N -1 3 371.503 3.057 20 0 FGADHM O=S(=O)([N-]CC1(c2ccccn2)CC1)c1cc(Cl)ccc1Cl ZINC000184905604 712678428 /nfs/dbraw/zinc/67/84/28/712678428.db2.gz ILYRJELNUBOWKS-UHFFFAOYSA-N -1 3 357.262 3.399 20 0 FGADHM COC1(CNC(=O)N[N-]C(=O)c2ccc(Cl)cc2Cl)CCCCC1 ZINC000185917496 712704617 /nfs/dbraw/zinc/70/46/17/712704617.db2.gz JQHJDNOVQJZNEZ-UHFFFAOYSA-N -1 3 374.268 3.287 20 0 FGADHM CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)c1cccc(O)c1[O-] ZINC000186754324 712725815 /nfs/dbraw/zinc/72/58/15/712725815.db2.gz MKRVKVFMNPKCAW-UHFFFAOYSA-N -1 3 369.204 3.115 20 0 FGADHM Cc1ccc(Br)cc1CNC(=O)NN=c1cncc(Cl)[n-]1 ZINC000187612112 712749180 /nfs/dbraw/zinc/74/91/80/712749180.db2.gz YIJUJUQZZUVLQO-UHFFFAOYSA-N -1 3 370.638 3.027 20 0 FGADHM C[C@@H](NC(=O)NNC(=O)c1ccccc1[O-])c1cc(Cl)ccc1Cl ZINC000187947307 712757232 /nfs/dbraw/zinc/75/72/32/712757232.db2.gz QNQLRFQCGBGQCV-SECBINFHSA-N -1 3 368.220 3.404 20 0 FGADHM Cc1cc([C@@](C)(O)C[N-]S(=O)(=O)c2cc(C)c(Cl)s2)c(C)o1 ZINC000188048928 712760022 /nfs/dbraw/zinc/76/00/22/712760022.db2.gz ACYVQQDNPWTQNU-AWEZNQCLSA-N -1 3 363.888 3.106 20 0 FGADHM COC(=O)[C@@H](NCc1cc(F)ccc1[O-])c1ccc(OC)c(Cl)c1 ZINC000189663318 712798994 /nfs/dbraw/zinc/79/89/94/712798994.db2.gz VXZWFLYWXCZDCE-INIZCTEOSA-N -1 3 353.777 3.197 20 0 FGADHM CN(Cc1c([O-])ccc(Cl)c1F)C[C@H](O)COCc1ccccc1 ZINC000191271725 712833239 /nfs/dbraw/zinc/83/32/39/712833239.db2.gz BLIYAQPJLNCNGD-AWEZNQCLSA-N -1 3 353.821 3.194 20 0 FGADHM COc1cc(Cl)c(Cl)cc1NC(=O)N[N-]C(=O)c1ncccc1C ZINC000191284606 712833564 /nfs/dbraw/zinc/83/35/64/712833564.db2.gz TWDAPFLKPTXJNW-UHFFFAOYSA-N -1 3 369.208 3.172 20 0 FGADHM Cc1nc(N2CCOCC2)ccc1NCc1c([O-])ccc(Cl)c1F ZINC000191450918 712836801 /nfs/dbraw/zinc/83/68/01/712836801.db2.gz BTHLIXIETGOSAD-UHFFFAOYSA-N -1 3 351.809 3.337 20 0 FGADHM O=C([N-]c1cc([N+](=O)[O-])c(F)cc1F)c1ncccc1Br ZINC000194887273 713538291 /nfs/dbraw/zinc/53/82/91/713538291.db2.gz 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ZINC000523705678 714248264 /nfs/dbraw/zinc/24/82/64/714248264.db2.gz WRNPNBPCXCNCDO-CQSZACIVSA-N -1 3 370.927 3.344 20 0 FGADHM CSc1nc(NC(=O)[C@H]2C[C@H]2c2ccccc2OC(F)(F)F)n[n-]1 ZINC000525458137 714354816 /nfs/dbraw/zinc/35/48/16/714354816.db2.gz SRXLWLZZMLIRKD-IUCAKERBSA-N -1 3 358.345 3.167 20 0 FGADHM CCc1cc(=O)[n-]c(CN[C@@H](C)c2ccc(Br)cc2F)n1 ZINC000577249431 714462105 /nfs/dbraw/zinc/46/21/05/714462105.db2.gz QCHOUBDDLZUJPA-VIFPVBQESA-N -1 3 354.223 3.497 20 0 FGADHM CCn1nc(C)c(CN=c2ncc3scc(Br)c3[n-]2)c1C ZINC000577650472 714466925 /nfs/dbraw/zinc/46/69/25/714466925.db2.gz UKAVQMSSDAQBCC-UHFFFAOYSA-N -1 3 366.288 3.321 20 0 FGADHM O=C(Nc1ccc(Br)cc1[O-])c1cc(F)cc2nccnc21 ZINC000615841618 714553770 /nfs/dbraw/zinc/55/37/70/714553770.db2.gz YKKCQLZYMXWIKX-UHFFFAOYSA-N -1 3 362.158 3.489 20 0 FGADHM O=C(CCOc1cccc(Cl)c1Cl)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000616826911 714602482 /nfs/dbraw/zinc/60/24/82/714602482.db2.gz UIASAFFAWOJIRP-LBPRGKRZSA-N -1 3 370.236 3.398 20 0 FGADHM CCOC(=O)c1ncc(NC(=O)c2c(F)ccc(C)c2Br)[n-]1 ZINC000619449357 714836526 /nfs/dbraw/zinc/83/65/26/714836526.db2.gz CXDZOVMFMISQQX-UHFFFAOYSA-N -1 3 370.178 3.049 20 0 FGADHM CCOC(=O)c1nc(NC(=O)c2c(F)ccc(C)c2Br)c[n-]1 ZINC000619449357 714836529 /nfs/dbraw/zinc/83/65/29/714836529.db2.gz CXDZOVMFMISQQX-UHFFFAOYSA-N -1 3 370.178 3.049 20 0 FGADHM CCOC(=O)c1ncc(NC(=O)CCc2cccc(C(F)(F)F)c2)[n-]1 ZINC000619449810 714837192 /nfs/dbraw/zinc/83/71/92/714837192.db2.gz WMYJEQJOAWRIHT-UHFFFAOYSA-N -1 3 355.316 3.177 20 0 FGADHM CCOC(=O)c1nc(NC(=O)CCc2cccc(C(F)(F)F)c2)c[n-]1 ZINC000619449810 714837193 /nfs/dbraw/zinc/83/71/93/714837193.db2.gz WMYJEQJOAWRIHT-UHFFFAOYSA-N -1 3 355.316 3.177 20 0 FGADHM O=C(Nc1cc(I)ccc1[O-])[C@@H]1CCC(F)(F)C1 ZINC000619479779 714842045 /nfs/dbraw/zinc/84/20/45/714842045.db2.gz HRSRINYPIJFEDG-SSDOTTSWSA-N -1 3 367.133 3.371 20 0 FGADHM O=C(Nc1cc(I)ccc1[O-])c1cc(C2CC2)no1 ZINC000619671553 714861257 /nfs/dbraw/zinc/86/12/57/714861257.db2.gz JVLMUHDOKFRXCD-UHFFFAOYSA-N -1 3 370.146 3.115 20 0 FGADHM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cccc2c1CCN(C)C2 ZINC000621149121 714965779 /nfs/dbraw/zinc/96/57/79/714965779.db2.gz BXOIFUFCBOZARZ-UHFFFAOYSA-N -1 3 350.871 3.437 20 0 FGADHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N1CCN(Cc2ccsc2)CC1 ZINC000621300317 714978883 /nfs/dbraw/zinc/97/88/83/714978883.db2.gz HMIJMRTWPVWTGK-UHFFFAOYSA-N -1 3 370.396 3.431 20 0 FGADHM O=C(Cc1ccc([O-])c(F)c1)NCCNc1ncc(Cl)cc1Cl ZINC000622310821 715069416 /nfs/dbraw/zinc/06/94/16/715069416.db2.gz YKACBYUPYYIYHQ-UHFFFAOYSA-N -1 3 358.200 3.004 20 0 FGADHM O=C(NCc1nccc(C(F)(F)F)n1)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622705160 715085906 /nfs/dbraw/zinc/08/59/06/715085906.db2.gz JCGKVVGISZZDHP-UHFFFAOYSA-N -1 3 365.233 3.150 20 0 FGADHM O=C(Nc1ccc(COCCO)cc1)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622734161 715086960 /nfs/dbraw/zinc/08/69/60/715086960.db2.gz HIZIWKIEYHMAJW-UHFFFAOYSA-N -1 3 355.312 3.172 20 0 FGADHM O=S(=O)([N-]C[C@@H]1Cc2ccccc21)c1cc(Br)ccc1F ZINC000623442097 715336884 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C[C@@H](NC(=O)CN1CCCC[C@@H]1CC(=O)[O-])c1ccc(Cl)cc1Cl ZINC000650504117 718689238 /nfs/dbraw/zinc/68/92/38/718689238.db2.gz VIPDKOMAKXYWPC-DGCLKSJQSA-N -1 3 373.280 3.500 20 0 FGADHM C[C@H]([N-]S(=O)(=O)Cc1ccc(Cl)cc1)c1nc(C(C)(C)C)no1 ZINC000651584385 718835702 /nfs/dbraw/zinc/83/57/02/718835702.db2.gz LCUAVGDONRRCIT-JTQLQIEISA-N -1 3 357.863 3.201 20 0 FGADHM Cc1cc(Br)sc1S(=O)(=O)[N-]C[C@@H](C)CC(F)F ZINC000651754116 718860818 /nfs/dbraw/zinc/86/08/18/718860818.db2.gz VJOBRXFPRNUHAB-LURJTMIESA-N -1 3 362.261 3.389 20 0 FGADHM O=C([O-])C[C@H]1COCCN1CC/C=C\c1ccc(Br)cc1 ZINC000652476386 718948796 /nfs/dbraw/zinc/94/87/96/718948796.db2.gz ZXMXXRAGNMIIND-BGGTVIOKSA-N -1 3 354.244 3.028 20 0 FGADHM O=C([O-])C[C@@H]1COCCN1CC/C=C\c1ccc(Br)cc1 ZINC000652476389 718949131 /nfs/dbraw/zinc/94/91/31/718949131.db2.gz ZXMXXRAGNMIIND-PEXHTFQZSA-N -1 3 354.244 3.028 20 0 FGADHM CCc1cc(=O)[n-]c(CNC2(c3cccc(OC(F)(F)F)c3)CC2)n1 ZINC000653847777 719100115 /nfs/dbraw/zinc/10/01/15/719100115.db2.gz 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Cc1ccc(Cl)c(C(=O)OCc2noc(-c3ccccc3[O-])n2)c1N ZINC000784080821 724819340 /nfs/dbraw/zinc/81/93/40/724819340.db2.gz DSMIERSCJYZTQG-UHFFFAOYSA-N -1 3 359.769 3.343 20 0 FGADHM O=S(=O)([N-][C@@H]1COc2cc(F)cc(F)c21)c1ccc(Cl)cc1F ZINC000680106191 722071369 /nfs/dbraw/zinc/07/13/69/722071369.db2.gz BILJISWNYCVIDT-LLVKDONJSA-N -1 3 363.744 3.169 20 0 FGADHM C[C@@H](C[N-]S(=O)(=O)c1ccc(Br)cc1F)c1ccncc1 ZINC000681258966 722196365 /nfs/dbraw/zinc/19/63/65/722196365.db2.gz RNKCQBDTSWINKK-JTQLQIEISA-N -1 3 373.247 3.065 20 0 FGADHM COc1cccc2c1OC[C@@H]([N-]S(=O)(=O)c1cc(C)c(Cl)s1)C2 ZINC000682726904 722263226 /nfs/dbraw/zinc/26/32/26/722263226.db2.gz RKDQXTUSODMWOE-NSHDSACASA-N -1 3 373.883 3.001 20 0 FGADHM CC(C)[C@H](CNCc1cn(-c2ccc(Cl)c(Cl)c2)nn1)C(=O)[O-] ZINC000683171720 722283942 /nfs/dbraw/zinc/28/39/42/722283942.db2.gz PCVWOCBIBCZHRJ-LBPRGKRZSA-N -1 3 357.241 3.021 20 0 FGADHM O=S(=O)([N-]Cc1cccc2c1OCCO2)c1cc(Cl)ccc1Cl ZINC000726881786 722438882 /nfs/dbraw/zinc/43/88/82/722438882.db2.gz 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CC[C@@H]1c2ccsc2CCN1C(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000821000907 729049844 /nfs/dbraw/zinc/04/98/44/729049844.db2.gz LPRBWNIGHGMCPA-GFCCVEGCSA-N -1 3 374.857 3.126 20 0 FGADHM CC[C@@H]1c2ccsc2CCN1C(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000821000907 729049847 /nfs/dbraw/zinc/04/98/47/729049847.db2.gz LPRBWNIGHGMCPA-GFCCVEGCSA-N -1 3 374.857 3.126 20 0 FGADHM COc1cc(-c2noc([C@@H]3CCCCN3)n2)cc(Br)c1[O-] ZINC000823075703 729250082 /nfs/dbraw/zinc/25/00/82/729250082.db2.gz USBVMTIWSOSAHR-JTQLQIEISA-N -1 3 354.204 3.028 20 0 FGADHM Brc1ccc(NCc2ccc3c(c2)CCO3)c(-c2nnn[n-]2)c1 ZINC000823832828 729307856 /nfs/dbraw/zinc/30/78/56/729307856.db2.gz WAJDDAHAJIOJLB-UHFFFAOYSA-N -1 3 372.226 3.176 20 0 FGADHM Brc1ccc(NCc2ccc3c(c2)CCO3)c(-c2nn[n-]n2)c1 ZINC000823832828 729307858 /nfs/dbraw/zinc/30/78/58/729307858.db2.gz WAJDDAHAJIOJLB-UHFFFAOYSA-N -1 3 372.226 3.176 20 0 FGADHM CC(C)c1csc([C@H]2CCCN(c3cnccc3-c3nnn[n-]3)C2)n1 ZINC000824352524 729332539 /nfs/dbraw/zinc/33/25/39/729332539.db2.gz GZQTYXHGWRNTCA-LBPRGKRZSA-N -1 3 355.471 3.226 20 0 FGADHM CC(C)c1csc([C@H]2CCCN(c3cnccc3-c3nn[n-]n3)C2)n1 ZINC000824352524 729332541 /nfs/dbraw/zinc/33/25/41/729332541.db2.gz GZQTYXHGWRNTCA-LBPRGKRZSA-N -1 3 355.471 3.226 20 0 FGADHM CCC(CC)C(=O)Nc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000825094795 729370516 /nfs/dbraw/zinc/37/05/16/729370516.db2.gz BTIXFLAWGXIING-UHFFFAOYSA-N -1 3 359.821 3.081 20 0 FGADHM CCC[C@H](C)NC(=O)[C@@H](C)Sc1cccc(Cl)c1-c1nnn[n-]1 ZINC000825232119 729375260 /nfs/dbraw/zinc/37/52/60/729375260.db2.gz CGLLBVJQBGEVAM-VHSXEESVSA-N -1 3 353.879 3.306 20 0 FGADHM CCC[C@H](C)NC(=O)[C@@H](C)Sc1cccc(Cl)c1-c1nn[n-]n1 ZINC000825232119 729375262 /nfs/dbraw/zinc/37/52/62/729375262.db2.gz CGLLBVJQBGEVAM-VHSXEESVSA-N -1 3 353.879 3.306 20 0 FGADHM CCOC(=O)CCCCCCNc1ncc(Cl)c(C)c1-c1nnn[n-]1 ZINC000825506221 729385882 /nfs/dbraw/zinc/38/58/82/729385882.db2.gz IBJATQZNLOOYNZ-UHFFFAOYSA-N -1 3 366.853 3.149 20 0 FGADHM CCOC(=O)CCCCCCNc1ncc(Cl)c(C)c1-c1nn[n-]n1 ZINC000825506221 729385883 /nfs/dbraw/zinc/38/58/83/729385883.db2.gz IBJATQZNLOOYNZ-UHFFFAOYSA-N -1 3 366.853 3.149 20 0 FGADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2cc(Cl)cc(Cl)n2)s1 ZINC000825693886 729391769 /nfs/dbraw/zinc/39/17/69/729391769.db2.gz GZYBAGLDXLGPMX-UHFFFAOYSA-N -1 3 369.237 3.445 20 0 FGADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2cc(Cl)cc(Cl)n2)s1 ZINC000825693886 729391770 /nfs/dbraw/zinc/39/17/70/729391770.db2.gz GZYBAGLDXLGPMX-UHFFFAOYSA-N -1 3 369.237 3.445 20 0 FGADHM CCc1cc(OCC(=O)Nc2cccc(-c3nnn[n-]3)c2)ccc1Cl ZINC000825700521 729391953 /nfs/dbraw/zinc/39/19/53/729391953.db2.gz ISEMKDQNZADSKK-UHFFFAOYSA-N -1 3 357.801 3.100 20 0 FGADHM CCc1cc(OCC(=O)Nc2cccc(-c3nn[n-]n3)c2)ccc1Cl ZINC000825700521 729391954 /nfs/dbraw/zinc/39/19/54/729391954.db2.gz ISEMKDQNZADSKK-UHFFFAOYSA-N -1 3 357.801 3.100 20 0 FGADHM CCc1ccc([C@@H](COC)Nc2ncc(Cl)c(C)c2-c2nnn[n-]2)o1 ZINC000825704642 729392187 /nfs/dbraw/zinc/39/21/87/729392187.db2.gz LKJLUQCLXOKKQC-GFCCVEGCSA-N -1 3 362.821 3.179 20 0 FGADHM CCc1ccc([C@@H](COC)Nc2ncc(Cl)c(C)c2-c2nn[n-]n2)o1 ZINC000825704642 729392188 /nfs/dbraw/zinc/39/21/88/729392188.db2.gz LKJLUQCLXOKKQC-GFCCVEGCSA-N -1 3 362.821 3.179 20 0 FGADHM C[C@H](OC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1ccc(C(F)(F)F)cc1 ZINC000826232423 729406308 /nfs/dbraw/zinc/40/63/08/729406308.db2.gz KRVHUPDFNBWYQN-QMMMGPOBSA-N -1 3 351.288 3.132 20 0 FGADHM C[C@H](OC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccc(C(F)(F)F)cc1 ZINC000826232423 729406309 /nfs/dbraw/zinc/40/63/09/729406309.db2.gz KRVHUPDFNBWYQN-QMMMGPOBSA-N -1 3 351.288 3.132 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)c1cc(F)c(F)cc1Cl ZINC000826253770 729406666 /nfs/dbraw/zinc/40/66/66/729406666.db2.gz CZMSBIFNWZOAQW-UHFFFAOYSA-N -1 3 364.739 3.464 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)c1cc(F)c(F)cc1Cl ZINC000826253770 729406667 /nfs/dbraw/zinc/40/66/67/729406667.db2.gz CZMSBIFNWZOAQW-UHFFFAOYSA-N -1 3 364.739 3.464 20 0 FGADHM Cc1c(Cl)cnc(NCc2ccn(C3CCCC3)n2)c1-c1nnn[n-]1 ZINC000826240467 729406711 /nfs/dbraw/zinc/40/67/11/729406711.db2.gz UQDQZJCVJPXOEU-UHFFFAOYSA-N -1 3 358.837 3.147 20 0 FGADHM Cc1c(Cl)cnc(NCc2ccn(C3CCCC3)n2)c1-c1nn[n-]n1 ZINC000826240467 729406712 /nfs/dbraw/zinc/40/67/12/729406712.db2.gz UQDQZJCVJPXOEU-UHFFFAOYSA-N -1 3 358.837 3.147 20 0 FGADHM Cc1nscc1C(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@@H](C)C2 ZINC000826339984 729407435 /nfs/dbraw/zinc/40/74/35/729407435.db2.gz BWFAAZUFJKBVKQ-SSDOTTSWSA-N -1 3 360.468 3.070 20 0 FGADHM Cc1nscc1C(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@@H](C)C2 ZINC000826339984 729407438 /nfs/dbraw/zinc/40/74/38/729407438.db2.gz BWFAAZUFJKBVKQ-SSDOTTSWSA-N -1 3 360.468 3.070 20 0 FGADHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CCCc1ccsc1 ZINC000826335046 729407498 /nfs/dbraw/zinc/40/74/98/729407498.db2.gz VOTCKUJMLSEZSY-UHFFFAOYSA-N -1 3 351.439 3.128 20 0 FGADHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CCCc1ccsc1 ZINC000826335046 729407499 /nfs/dbraw/zinc/40/74/99/729407499.db2.gz VOTCKUJMLSEZSY-UHFFFAOYSA-N -1 3 351.439 3.128 20 0 FGADHM Cn1c(CSc2ccc(-c3nnn[n-]3)cc2Cl)nnc1C1CCC1 ZINC000826355635 729407773 /nfs/dbraw/zinc/40/77/73/729407773.db2.gz ICWKYCSCJODBCE-UHFFFAOYSA-N -1 3 361.862 3.208 20 0 FGADHM Cn1c(CSc2ccc(-c3nn[n-]n3)cc2Cl)nnc1C1CCC1 ZINC000826355635 729407774 /nfs/dbraw/zinc/40/77/74/729407774.db2.gz ICWKYCSCJODBCE-UHFFFAOYSA-N -1 3 361.862 3.208 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)[C@@H]1CCc2c1cccc2Cl ZINC000826454503 729408066 /nfs/dbraw/zinc/40/80/66/729408066.db2.gz ZAOSNRYOLZKLJE-GFCCVEGCSA-N -1 3 357.776 3.328 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)[C@@H]1CCc2c1cccc2Cl ZINC000826454503 729408068 /nfs/dbraw/zinc/40/80/68/729408068.db2.gz ZAOSNRYOLZKLJE-GFCCVEGCSA-N -1 3 357.776 3.328 20 0 FGADHM O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826459587 729408184 /nfs/dbraw/zinc/40/81/84/729408184.db2.gz PXJFDLQORGYYRB-UHFFFAOYSA-N -1 3 371.813 3.224 20 0 FGADHM O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826459587 729408185 /nfs/dbraw/zinc/40/81/85/729408185.db2.gz PXJFDLQORGYYRB-UHFFFAOYSA-N -1 3 371.813 3.224 20 0 FGADHM O=C(OCc1ccc(Cl)cc1-c1nnn[n-]1)c1ccnc(C2CC2)c1 ZINC000826465347 729408199 /nfs/dbraw/zinc/40/81/99/729408199.db2.gz JCWZLMMIYZJEQV-UHFFFAOYSA-N -1 3 355.785 3.150 20 0 FGADHM O=C(OCc1ccc(Cl)cc1-c1nn[n-]n1)c1ccnc(C2CC2)c1 ZINC000826465347 729408200 /nfs/dbraw/zinc/40/82/00/729408200.db2.gz JCWZLMMIYZJEQV-UHFFFAOYSA-N -1 3 355.785 3.150 20 0 FGADHM Cc1nc([N-]C(=O)c2c(F)ccc(S(=O)(=O)CC3CC3)c2F)cs1 ZINC000827619105 729432439 /nfs/dbraw/zinc/43/24/39/729432439.db2.gz TZHHHOCVCPZONT-UHFFFAOYSA-N -1 3 372.418 3.166 20 0 FGADHM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCc2nc[nH]c2C12CCC2 ZINC000829077534 729455511 /nfs/dbraw/zinc/45/55/11/729455511.db2.gz ZEMBPFHXIFENPD-UHFFFAOYSA-N -1 3 351.328 3.212 20 0 FGADHM COc1ccccc1C(F)(F)C(=O)[N-][C@H](C)c1nc(C(C)(C)C)no1 ZINC000829214099 729467072 /nfs/dbraw/zinc/46/70/72/729467072.db2.gz FZQOTIHKZGBJHH-SNVBAGLBSA-N -1 3 353.369 3.345 20 0 FGADHM COCC1(CC(=O)O[C@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)CC1 ZINC000829887796 729520473 /nfs/dbraw/zinc/52/04/73/729520473.db2.gz QTRSQYDXQHRNPT-SNVBAGLBSA-N -1 3 350.440 3.435 20 0 FGADHM C[C@@H](O)c1cc([N-]S(=O)(=O)c2ccc(OC3CC3)cc2)ccc1F ZINC000829967960 729526381 /nfs/dbraw/zinc/52/63/81/729526381.db2.gz YYSASSQCJMVLPN-LLVKDONJSA-N -1 3 351.399 3.221 20 0 FGADHM CC(=O)c1cc(F)c([O-])c(NC(=O)C(C[C@@H]2CCCO2)C(F)(F)F)c1 ZINC000830331567 729550726 /nfs/dbraw/zinc/55/07/26/729550726.db2.gz GKTWDNSJVJHBCK-WDEREUQCSA-N -1 3 363.307 3.420 20 0 FGADHM CSc1ccc([O-])c(C(=O)NC2CCC(O)(c3cccnc3)CC2)c1 ZINC000832319427 729705153 /nfs/dbraw/zinc/70/51/53/729705153.db2.gz FIAJXVAPCFPGNR-UHFFFAOYSA-N -1 3 358.463 3.069 20 0 FGADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1c(F)cc(Cl)c(C)c1F ZINC000836479690 729957197 /nfs/dbraw/zinc/95/71/97/729957197.db2.gz ACUQPUZSIHDVRF-UHFFFAOYSA-N -1 3 350.749 3.321 20 0 FGADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1c(F)cc(Cl)c(C)c1F ZINC000836479690 729957198 /nfs/dbraw/zinc/95/71/98/729957198.db2.gz ACUQPUZSIHDVRF-UHFFFAOYSA-N -1 3 350.749 3.321 20 0 FGADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1cc(C)c(Br)c(C)c1 ZINC000836559562 729960358 /nfs/dbraw/zinc/96/03/58/729960358.db2.gz RSBNKRFVXJMFIX-UHFFFAOYSA-N -1 3 373.247 3.461 20 0 FGADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1cc(C)c(Br)c(C)c1 ZINC000836559562 729960359 /nfs/dbraw/zinc/96/03/59/729960359.db2.gz RSBNKRFVXJMFIX-UHFFFAOYSA-N -1 3 373.247 3.461 20 0 FGADHM CC(C)[C@@H](CO)O[N-]C(=O)C[C@H](C)c1ccc(F)c(Br)c1 ZINC000836895151 729973378 /nfs/dbraw/zinc/97/33/78/729973378.db2.gz RWIMRVNHGSQGHV-IINYFYTJSA-N -1 3 362.239 3.147 20 0 FGADHM O=C(OCc1cc(=O)[n-]c(C2CC2)n1)c1ccc(F)cc1Br ZINC000837389415 730024551 /nfs/dbraw/zinc/02/45/51/730024551.db2.gz LMKDWBHCDLIJOA-UHFFFAOYSA-N -1 3 367.174 3.318 20 0 FGADHM C[C@]1(COC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])CC1(Cl)Cl ZINC000837425532 730028362 /nfs/dbraw/zinc/02/83/62/730028362.db2.gz RCBGTRFWBMEDHW-MLGOLLRUSA-N -1 3 372.248 3.124 20 0 FGADHM CSc1ccc(O[C@@H](C)C(=O)OCc2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC000837537485 730039276 /nfs/dbraw/zinc/03/92/76/730039276.db2.gz JEIPDWFCCFMVGB-NSHDSACASA-N -1 3 360.435 3.292 20 0 FGADHM O=C(OCc1cc(=O)[n-]c(C2CC2)n1)[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000837574610 730043434 /nfs/dbraw/zinc/04/34/34/730043434.db2.gz JCNZWLIDCWRMBJ-CQSZACIVSA-N -1 3 369.204 3.143 20 0 FGADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3ncc[nH]c3=S)nc(=O)c2c1C ZINC000837748628 730060285 /nfs/dbraw/zinc/06/02/85/730060285.db2.gz QXLFCMIJZCLVOW-ZETCQYMHSA-N -1 3 362.436 3.384 20 0 FGADHM Cc1nn(Cc2ccc(C)cc2)c(Cl)c1CN1CC[C@](C)(C(=O)[O-])C1 ZINC000840998867 730202516 /nfs/dbraw/zinc/20/25/16/730202516.db2.gz ZHTKXPIIWCTWNB-IBGZPJMESA-N -1 3 361.873 3.498 20 0 FGADHM CCOC(=O)c1cc(C(F)(F)F)sc1[N-]C(=O)c1cnsn1 ZINC000841238108 730226945 /nfs/dbraw/zinc/22/69/45/730226945.db2.gz LZLXVBIWDJHEOK-UHFFFAOYSA-N -1 3 351.331 3.047 20 0 FGADHM CC[C@@H](C[N-]S(=O)(=O)c1cnc(Cl)c(OC)c1)CC(F)(F)F ZINC000841561231 730256586 /nfs/dbraw/zinc/25/65/86/730256586.db2.gz SGDGOOBLWDZKJY-MRVPVSSYSA-N -1 3 360.785 3.001 20 0 FGADHM O=S(=O)([N-]Cc1ccc2c(c1)CCCN2)c1cnc(Cl)c(Cl)c1 ZINC000842880156 730553477 /nfs/dbraw/zinc/55/34/77/730553477.db2.gz MYEFFAVILUNDSI-UHFFFAOYSA-N -1 3 372.277 3.225 20 0 FGADHM COC[C@@H]([N-]C(=O)C(F)(F)c1cccc(Cl)c1Cl)[C@@H]1CCCO1 ZINC000843588391 730634000 /nfs/dbraw/zinc/63/40/00/730634000.db2.gz YYUFQFWXMZWWIP-NEPJUHHUSA-N -1 3 368.207 3.395 20 0 FGADHM O=C([N-]C1(c2nnc[nH]2)CCC1)C(F)(F)c1cccc(Cl)c1Cl ZINC000843863112 730661436 /nfs/dbraw/zinc/66/14/36/730661436.db2.gz MZCIJRWSTUBXPV-UHFFFAOYSA-N -1 3 361.179 3.399 20 0 FGADHM COCCCOC1(COC(=O)c2ccc(N)c(Cl)c2[O-])CCCC1 ZINC000845191490 730817712 /nfs/dbraw/zinc/81/77/12/730817712.db2.gz IDSOJSVRQWLBJJ-UHFFFAOYSA-N -1 3 357.834 3.151 20 0 FGADHM CC(C)(C)OC(=O)N1CCC[C@@H]1COC(=O)c1ccc(N)c(Cl)c1[O-] ZINC000845193561 730818062 /nfs/dbraw/zinc/81/80/62/730818062.db2.gz KEQDSYLOMIBWNR-SNVBAGLBSA-N -1 3 370.833 3.184 20 0 FGADHM COC(=O)c1oc([C@H](C)OC(=O)c2ccc(N)c(Cl)c2[O-])cc1C ZINC000845193236 730818081 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20 0 FGADHM Cc1c(C(=O)[N-]c2nnc(C(C)(C)C)s2)nnn1-c1ccc(C)cc1 ZINC000055977698 494438174 /nfs/dbraw/zinc/43/81/74/494438174.db2.gz LWTPJHBNJSWRLF-UHFFFAOYSA-N -1 3 356.455 3.285 20 0 FGADHM O=C([N-]c1nnc(-c2ccccn2)s1)c1cnc(-c2ccccc2)nc1 ZINC000066921613 494438820 /nfs/dbraw/zinc/43/88/20/494438820.db2.gz QBQACAIMSNFFDQ-UHFFFAOYSA-N -1 3 360.402 3.309 20 0 FGADHM Cc1nc(C2([N-]S(=O)(=O)c3cccc4cnccc43)CCCCC2)no1 ZINC000056037090 494445476 /nfs/dbraw/zinc/44/54/76/494445476.db2.gz KBYLDUGUOATENB-UHFFFAOYSA-N -1 3 372.450 3.064 20 0 FGADHM O=S(=O)([N-]Cc1ccc(-n2cccn2)cc1)c1cccc(Cl)c1F ZINC000056056516 494447751 /nfs/dbraw/zinc/44/77/51/494447751.db2.gz URLQXFMZDGTPTD-UHFFFAOYSA-N -1 3 365.817 3.143 20 0 FGADHM O=C(Nc1nc2ccccc2s1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000045770416 494459173 /nfs/dbraw/zinc/45/91/73/494459173.db2.gz XFZOVJNRJSCJKJ-CQSZACIVSA-N -1 3 367.430 3.245 20 0 FGADHM O=S(=O)([N-][C@@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1cc(F)cc(F)c1 ZINC000056137736 494460034 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CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000067145433 494484083 /nfs/dbraw/zinc/48/40/83/494484083.db2.gz SAVHJPBBLWVMNI-KRWDZBQOSA-N -1 3 371.824 3.213 20 0 FGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000056409642 494501794 /nfs/dbraw/zinc/50/17/94/494501794.db2.gz LNUJCIWBSHFJPR-QWRGUYRKSA-N -1 3 364.389 3.365 20 0 FGADHM CCOC(=O)c1ccc(NC(=O)c2ccc3nc(C)c(C)nc3c2)c([O-])c1 ZINC000577425791 505724656 /nfs/dbraw/zinc/72/46/56/505724656.db2.gz SWGCRSDCQQJSFL-UHFFFAOYSA-N -1 3 365.389 3.381 20 0 FGADHM CC(C)Oc1ccc(S(=O)(=O)[N-]c2cccc([S@@](C)=O)c2)cc1 ZINC000091017614 494511168 /nfs/dbraw/zinc/51/11/68/494511168.db2.gz NJYCYLMJONADDK-QFIPXVFZSA-N -1 3 353.465 3.012 20 0 FGADHM COC[C@H]([N-]S(=O)(=O)c1cc(C)c(C)s1)c1ccc(F)c(F)c1 ZINC000091056532 494520677 /nfs/dbraw/zinc/52/06/77/494520677.db2.gz FWVWKNHBWSQBGC-AWEZNQCLSA-N -1 3 361.435 3.309 20 0 FGADHM C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000023507745 494569327 /nfs/dbraw/zinc/56/93/27/494569327.db2.gz HXDPHYBOCPMWMW-LLVKDONJSA-N -1 3 368.405 3.170 20 0 FGADHM Cc1ccc(CCCC(=O)N2CCN(C(=O)c3cccc([O-])c3)CC2)s1 ZINC000080022988 494572137 /nfs/dbraw/zinc/57/21/37/494572137.db2.gz DJXAAGFINWVODE-UHFFFAOYSA-N -1 3 372.490 3.069 20 0 FGADHM CCCn1c(=O)[n-]nc1S[C@@H](C)C(=O)Nc1ccc(Cl)cc1C ZINC000023762687 494581141 /nfs/dbraw/zinc/58/11/41/494581141.db2.gz NRGRJWQKKRGWFE-JTQLQIEISA-N -1 3 354.863 3.475 20 0 FGADHM CCCn1c(=O)[n-]nc1S[C@H](C)C(=O)Nc1ccc(Cl)cc1C ZINC000023762690 494581735 /nfs/dbraw/zinc/58/17/35/494581735.db2.gz NRGRJWQKKRGWFE-SNVBAGLBSA-N -1 3 354.863 3.475 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1csc(-c2ccc(F)cc2)n1 ZINC000121124017 494607760 /nfs/dbraw/zinc/60/77/60/494607760.db2.gz HKTRPPNITUIFGH-UHFFFAOYSA-N -1 3 366.381 3.382 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1csc(-c2ccc(F)cc2)n1 ZINC000121124017 494607763 /nfs/dbraw/zinc/60/77/63/494607763.db2.gz HKTRPPNITUIFGH-UHFFFAOYSA-N -1 3 366.381 3.382 20 0 FGADHM CC[C@H](CCO)C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000121158020 494622414 /nfs/dbraw/zinc/62/24/14/494622414.db2.gz MOXUEPUDXBSLNK-SECBINFHSA-N -1 3 359.797 3.046 20 0 FGADHM CC[C@H](CCO)C[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000121176335 494631850 /nfs/dbraw/zinc/63/18/50/494631850.db2.gz MCAQYAJPQVMVBD-SECBINFHSA-N -1 3 359.797 3.046 20 0 FGADHM C[C@H](C(=O)Nc1cccc(Br)c1)[S@](=O)c1ccc([O-])cc1 ZINC000108083647 494643615 /nfs/dbraw/zinc/64/36/15/494643615.db2.gz GIZXFWBPAXEEBA-LADRHHBVSA-N -1 3 368.252 3.290 20 0 FGADHM Cc1ccc([O-])c(CNc2cccc(C(=O)N3CCSCC3)c2C)n1 ZINC000126122587 494643703 /nfs/dbraw/zinc/64/37/03/494643703.db2.gz KRXWZFUVPJTOCJ-UHFFFAOYSA-N -1 3 357.479 3.205 20 0 FGADHM C[C@H](c1nc(C2CC2)no1)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000121268036 494674579 /nfs/dbraw/zinc/67/45/79/494674579.db2.gz HONVYPRRFLNFEI-GFCCVEGCSA-N -1 3 356.426 3.064 20 0 FGADHM Cc1ccc(C(=O)CCC(=O)Nc2ccccc2[N-]S(C)(=O)=O)s1 ZINC000024888059 494674813 /nfs/dbraw/zinc/67/48/13/494674813.db2.gz ZIAGLUAECVBGNQ-UHFFFAOYSA-N -1 3 366.464 3.030 20 0 FGADHM Cc1nc(C)c(CC(=O)N2CCCC[C@H]2c2cc3ccccc3[nH]2)c(=O)[n-]1 ZINC000108287647 494675529 /nfs/dbraw/zinc/67/55/29/494675529.db2.gz XSEVISIJIKHCPQ-IBGZPJMESA-N -1 3 364.449 3.164 20 0 FGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)CCc1cc2ccccc2o1 ZINC000024892107 494676800 /nfs/dbraw/zinc/67/68/00/494676800.db2.gz UJNMAWBSTWVUKT-UHFFFAOYSA-N -1 3 358.419 3.376 20 0 FGADHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H](C)Oc3ccc(F)cc3)c2)n1 ZINC000047317643 494678675 /nfs/dbraw/zinc/67/86/75/494678675.db2.gz QJWFTYHAQCLCMQ-ZDUSSCGKSA-N -1 3 367.380 3.290 20 0 FGADHM C[C@@H](CC(=O)Nc1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1)c1ccc(F)cc1 ZINC000080338536 494680285 /nfs/dbraw/zinc/68/02/85/494680285.db2.gz ZTWQGCUQTRVTBT-FKIZINRSSA-N -1 3 369.396 3.013 20 0 FGADHM Cc1cc(C)cc(C2=CCN(C(=O)c3ccc4c(c3)C(=O)[N-]C4=O)CC2)c1 ZINC000091824033 494692850 /nfs/dbraw/zinc/69/28/50/494692850.db2.gz KUGRRGXCLHNDER-UHFFFAOYSA-N -1 3 360.413 3.117 20 0 FGADHM CC(C)CO[C@H]1CCN(C(=O)NCc2ccc([O-])c(Br)c2)C1 ZINC000126329364 494712938 /nfs/dbraw/zinc/71/29/38/494712938.db2.gz GQGLHBCKSPKLME-ZDUSSCGKSA-N -1 3 371.275 3.111 20 0 FGADHM O=C1NCCc2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3Cl)cc21 ZINC000116158246 494719231 /nfs/dbraw/zinc/71/92/31/494719231.db2.gz HHWDBDZPWDVLJJ-UHFFFAOYSA-N -1 3 371.245 3.080 20 0 FGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1cccc(OC2CCCC2)c1 ZINC000080535700 494729717 /nfs/dbraw/zinc/72/97/17/494729717.db2.gz HKKHSGPRMFUKED-UHFFFAOYSA-N -1 3 359.451 3.374 20 0 FGADHM O=S(=O)(Cc1c(Cl)cccc1Cl)[N-][C@H]1c2ccccc2C[C@H]1O ZINC000126396453 494737306 /nfs/dbraw/zinc/73/73/06/494737306.db2.gz KZELPIMWZHRJGO-CVEARBPZSA-N -1 3 372.273 3.071 20 0 FGADHM O=S(=O)([N-]c1ccc(-n2ccnc2)c(Cl)c1)c1ccc(F)cc1 ZINC000108638590 494752959 /nfs/dbraw/zinc/75/29/59/494752959.db2.gz HNDWLSFHGCOASH-UHFFFAOYSA-N -1 3 351.790 3.466 20 0 FGADHM COCc1cc(C(=O)[N-]c2nc(-c3c[nH]c4ncccc34)c(C)s2)no1 ZINC000126450312 494755225 /nfs/dbraw/zinc/75/52/25/494755225.db2.gz OSZUBVAZDJTRNZ-UHFFFAOYSA-N -1 3 369.406 3.382 20 0 FGADHM Cc1noc(C)c1S(=O)(=O)[N-]C[C@@H](C)Oc1ccc(C(C)C)cc1 ZINC000571471307 505740550 /nfs/dbraw/zinc/74/05/50/505740550.db2.gz NDJBSLMXTKOFRO-GFCCVEGCSA-N -1 3 352.456 3.161 20 0 FGADHM COc1ccc([O-])c(C(=O)Nc2ccc(-c3cn4cccnc4n3)cc2)c1 ZINC000121475056 494773431 /nfs/dbraw/zinc/77/34/31/494773431.db2.gz MUEQQGZSAVNJJT-UHFFFAOYSA-N -1 3 360.373 3.363 20 0 FGADHM CCn1cnc(S(=O)(=O)[N-][C@@H](c2cccs2)c2ccc(F)cc2)c1 ZINC000080712792 494775506 /nfs/dbraw/zinc/77/55/06/494775506.db2.gz FLBJXZDUGPPWDF-MRXNPFEDSA-N -1 3 365.455 3.172 20 0 FGADHM CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)CNC(=O)c2ccc([O-])cc2)o1 ZINC000075496855 494777515 /nfs/dbraw/zinc/77/75/15/494777515.db2.gz HPUQFPIRCNSRJH-KBXCAEBGSA-N -1 3 370.449 3.277 20 0 FGADHM C[C@@H](CCNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])c1ccccc1 ZINC000116478179 494795247 /nfs/dbraw/zinc/79/52/47/494795247.db2.gz XHIPQJSJZUARQG-LPHOPBHVSA-N -1 3 366.461 3.307 20 0 FGADHM O=C(Nc1cc(Br)ccc1[O-])c1ccc(N2CCCC2)nc1 ZINC000126588672 494797055 /nfs/dbraw/zinc/79/70/55/494797055.db2.gz AGDHXKJUDJZLFT-UHFFFAOYSA-N -1 3 362.227 3.402 20 0 FGADHM COC(=O)c1cccc(OCc2noc(Cc3ccc([O-])cc3Cl)n2)c1 ZINC000132012343 494798337 /nfs/dbraw/zinc/79/83/37/494798337.db2.gz NOBSDKSOKFQMFG-UHFFFAOYSA-N -1 3 374.780 3.385 20 0 FGADHM C[C@@H]1CN(c2ccc(C(=O)Nc3cc(Cl)ccc3[O-])cn2)C[C@H](C)O1 ZINC000109091673 494830600 /nfs/dbraw/zinc/83/06/00/494830600.db2.gz ALOUNFGWGWZJHW-TXEJJXNPSA-N -1 3 361.829 3.307 20 0 FGADHM O=S(=O)([N-]C[C@H]1Cc2ccccc2O1)c1cccc(Cl)c1Cl ZINC000026865745 494842321 /nfs/dbraw/zinc/84/23/21/494842321.db2.gz IBIMWACTGPCRIQ-LLVKDONJSA-N -1 3 358.246 3.275 20 0 FGADHM Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2cccc(C)c2[O-])cc1 ZINC000109216496 494848223 /nfs/dbraw/zinc/84/82/23/494848223.db2.gz WYCUWVDZYDIFKV-MRXNPFEDSA-N -1 3 356.447 3.163 20 0 FGADHM COc1ccc(C(=O)N(Cc2ccnc(OC(C)C)c2)C2CC2)c([O-])c1 ZINC000093241691 494850071 /nfs/dbraw/zinc/85/00/71/494850071.db2.gz ARPCPIXFOBXUNU-UHFFFAOYSA-N -1 3 356.422 3.388 20 0 FGADHM CSCc1cccc(NC(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)c1 ZINC000109300098 494856307 /nfs/dbraw/zinc/85/63/07/494856307.db2.gz SPPDDCKVJCFIGH-UHFFFAOYSA-N -1 3 368.455 3.313 20 0 FGADHM Cc1sc2[n-]c(CSCCC(N)=O)nc(=O)c2c1-c1ccc(C)cc1 ZINC000027186875 494856679 /nfs/dbraw/zinc/85/66/79/494856679.db2.gz MWRMKGSHFBQQTM-UHFFFAOYSA-N -1 3 373.503 3.377 20 0 FGADHM Cc1nn(C)c(C)c1C[C@H](C)[N-]S(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000121793632 494861610 /nfs/dbraw/zinc/86/16/10/494861610.db2.gz WYIRNKQLQUSEQS-JTQLQIEISA-N -1 3 373.881 3.047 20 0 FGADHM O=C(c1ncccc1[O-])N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC000126918488 494862028 /nfs/dbraw/zinc/86/20/28/494862028.db2.gz QMDUZPCQDOGJRJ-UHFFFAOYSA-N -1 3 359.857 3.179 20 0 FGADHM Cc1ccc(OC2CCN(Cc3nc4ccsc4c(=O)[n-]3)CC2)cc1 ZINC000116882423 494866700 /nfs/dbraw/zinc/86/67/00/494866700.db2.gz QNRIDUZJABZAMI-UHFFFAOYSA-N -1 3 355.463 3.336 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(C(C)(C)C)s1)C(=O)N1CCCC[C@@H]1C ZINC000121837620 494871599 /nfs/dbraw/zinc/87/15/99/494871599.db2.gz QJONHPYXCDQCAE-QWHCGFSZSA-N -1 3 372.556 3.113 20 0 FGADHM Cc1cc(Cl)cc(NC(=O)CS(=O)(=O)c2ccc(Cl)cc2)c1[O-] ZINC000116979533 494878422 /nfs/dbraw/zinc/87/84/22/494878422.db2.gz AXRCKXHWLKLDAY-UHFFFAOYSA-N -1 3 374.245 3.420 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1)c1nc(-c2cccs2)no1 ZINC000109460652 494878507 /nfs/dbraw/zinc/87/85/07/494878507.db2.gz CCEXERGFOIMSEB-VIFPVBQESA-N -1 3 369.855 3.491 20 0 FGADHM Cc1cc(Cl)cc(NC(=O)c2cc3c([nH]c2=O)CC(C)(C)CC3=O)c1[O-] ZINC000116980493 494879368 /nfs/dbraw/zinc/87/93/68/494879368.db2.gz WSICJXWQOQYMMP-UHFFFAOYSA-N -1 3 374.824 3.450 20 0 FGADHM Cc1ccc([C@@H](C)NC(=O)CSc2n[n-]c(-c3ccccn3)n2)cc1C ZINC000117113163 494892304 /nfs/dbraw/zinc/89/23/04/494892304.db2.gz IFPGLRWKNNTYNM-CQSZACIVSA-N -1 3 367.478 3.453 20 0 FGADHM O=C(NC1CC1)[C@@H](Sc1nnc(-c2ccccn2)[n-]1)c1ccc(F)cc1 ZINC000117113483 494892328 /nfs/dbraw/zinc/89/23/28/494892328.db2.gz ROHKBAPDKLEOEM-HNNXBMFYSA-N -1 3 369.425 3.118 20 0 FGADHM O=C(NC1CC1)[C@@H](Sc1n[n-]c(-c2ccccn2)n1)c1ccc(F)cc1 ZINC000117113483 494892330 /nfs/dbraw/zinc/89/23/30/494892330.db2.gz ROHKBAPDKLEOEM-HNNXBMFYSA-N -1 3 369.425 3.118 20 0 FGADHM COc1ccc(C)cc1NC(=O)[C@H]1CCCN1Cc1nc(C)ccc1[O-] ZINC000093480415 494896332 /nfs/dbraw/zinc/89/63/32/494896332.db2.gz IOQSBVJPHRXVHR-QGZVFWFLSA-N -1 3 355.438 3.016 20 0 FGADHM O=C(Nc1n[n-]c(-c2ccccc2F)n1)c1cnn(-c2ccccc2F)c1 ZINC000109625278 494898039 /nfs/dbraw/zinc/89/80/39/494898039.db2.gz DAKAQSMBHGEUTI-UHFFFAOYSA-N -1 3 366.331 3.188 20 0 FGADHM COc1cccc([C@@H]2C[C@@H]2C(=O)Nc2n[n-]c(-c3ccccc3F)n2)c1 ZINC000109626315 494898280 /nfs/dbraw/zinc/89/82/80/494898280.db2.gz AQLGSZQIZBOULM-GJZGRUSLSA-N -1 3 352.369 3.362 20 0 FGADHM CCc1ccc([O-])c(C(=O)N2CCC[C@H](C(=O)Nc3ccc(C)cn3)C2)c1 ZINC000109814670 494921649 /nfs/dbraw/zinc/92/16/49/494921649.db2.gz NPSIJAZOFHHOPP-INIZCTEOSA-N -1 3 367.449 3.149 20 0 FGADHM CC(C)(CNC(=O)c1ccc(Br)c([O-])c1)N1CCCCC1 ZINC000132823630 494929758 /nfs/dbraw/zinc/92/97/58/494929758.db2.gz HRWWMPJJLKLKIX-UHFFFAOYSA-N -1 3 355.276 3.149 20 0 FGADHM CCc1ccc([O-])c(C(=O)Nc2ccc(Sc3nncn3C)cc2)c1 ZINC000093916540 494934913 /nfs/dbraw/zinc/93/49/13/494934913.db2.gz RXGVIPAOQINPKQ-UHFFFAOYSA-N -1 3 354.435 3.487 20 0 FGADHM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CCC1(C)C ZINC000568678194 505750531 /nfs/dbraw/zinc/75/05/31/505750531.db2.gz ZONSRZYXHFDZHO-ABAIWWIYSA-N -1 3 361.891 3.221 20 0 FGADHM CN(C)C(=O)c1cc(NC(=O)c2cc(-c3ccco3)[n-]n2)ccc1Cl ZINC000117624819 494938049 /nfs/dbraw/zinc/93/80/49/494938049.db2.gz ZNOCULFUKALQSF-UHFFFAOYSA-N -1 3 358.785 3.277 20 0 FGADHM CN(C)C(=O)c1cc(NC(=O)c2cc(-c3ccco3)n[n-]2)ccc1Cl ZINC000117624819 494938053 /nfs/dbraw/zinc/93/80/53/494938053.db2.gz ZNOCULFUKALQSF-UHFFFAOYSA-N -1 3 358.785 3.277 20 0 FGADHM COc1ccc(C(=O)NCCc2coc(-c3ccc(C)cc3)n2)c([O-])c1 ZINC000110017020 494939589 /nfs/dbraw/zinc/93/95/89/494939589.db2.gz LINFARJBFNPRJD-UHFFFAOYSA-N -1 3 352.390 3.337 20 0 FGADHM 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365.433 3.367 20 0 FGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)C(F)(F)F)cc1 ZINC000119540489 495186833 /nfs/dbraw/zinc/18/68/33/495186833.db2.gz QYFURIPVZGYSJB-CQSZACIVSA-N -1 3 373.352 3.055 20 0 FGADHM COc1ccc(-c2cncc(C(=O)Nc3nnc(-c4ccccn4)[n-]3)c2)cc1 ZINC000134710925 495190825 /nfs/dbraw/zinc/19/08/25/495190825.db2.gz UBLQASKCUGIJGN-UHFFFAOYSA-N -1 3 372.388 3.190 20 0 FGADHM COc1ccc(-c2cncc(C(=O)Nc3nc(-c4ccccn4)n[n-]3)c2)cc1 ZINC000134710925 495190829 /nfs/dbraw/zinc/19/08/29/495190829.db2.gz UBLQASKCUGIJGN-UHFFFAOYSA-N -1 3 372.388 3.190 20 0 FGADHM COc1ccc(-c2cncc(C(=O)Nc3n[n-]c(-c4ccccn4)n3)c2)cc1 ZINC000134710925 495190833 /nfs/dbraw/zinc/19/08/33/495190833.db2.gz UBLQASKCUGIJGN-UHFFFAOYSA-N -1 3 372.388 3.190 20 0 FGADHM CC(C)CC[C@@H]1CCCCN1C(=O)c1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000119619725 495203257 /nfs/dbraw/zinc/20/32/57/495203257.db2.gz WHPBNDLOKGITLI-UWJYYQICSA-N -1 3 371.481 3.172 20 0 FGADHM O=C(c1ccc(F)cc1[O-])N1CCC(c2ncc(C(F)(F)F)[nH]2)CC1 ZINC000123913188 495206132 /nfs/dbraw/zinc/20/61/32/495206132.db2.gz VKIIRUVZKVSZJA-UHFFFAOYSA-N -1 3 357.307 3.293 20 0 FGADHM [O-]c1ccccc1-c1nc(COc2nc(Cc3ccc(F)cc3)no2)no1 ZINC000112562777 495206467 /nfs/dbraw/zinc/20/64/67/495206467.db2.gz SBBLSKCMVMVHGC-UHFFFAOYSA-N -1 3 368.324 3.134 20 0 FGADHM CCS(=O)(=O)c1ccc(CCC(=O)Nc2cc(Cl)ccc2[O-])cc1 ZINC000123974810 495215617 /nfs/dbraw/zinc/21/56/17/495215617.db2.gz KZYVXEXOOQZVLY-UHFFFAOYSA-N -1 3 367.854 3.411 20 0 FGADHM CC(C)[C@@H](C(=O)Nc1cccc([O-])c1F)n1nnc(-c2ccccc2)n1 ZINC000129315959 495227370 /nfs/dbraw/zinc/22/73/70/495227370.db2.gz SDTDEFVNQKNJAX-INIZCTEOSA-N -1 3 355.373 3.021 20 0 FGADHM CCOCCOc1c(Cl)cccc1N[C@@H](C)C(=O)[N-]c1cc(C)no1 ZINC000119767478 495236387 /nfs/dbraw/zinc/23/63/87/495236387.db2.gz BDPTZHKXQUSZKU-LBPRGKRZSA-N -1 3 367.833 3.491 20 0 FGADHM CC(C)C[C@@H](CCO)C[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000124194712 495248850 /nfs/dbraw/zinc/24/88/50/495248850.db2.gz DXQJXDVEVMSHHG-LLVKDONJSA-N -1 3 354.299 3.316 20 0 FGADHM Cc1cnc([N-]S(=O)(=O)c2ccc(F)cc2C)c(Br)c1 ZINC000129461535 495249010 /nfs/dbraw/zinc/24/90/10/495249010.db2.gz CENRALCXSNCRJB-UHFFFAOYSA-N -1 3 359.220 3.401 20 0 FGADHM Cc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3cccc([O-])c3F)C2)cc1 ZINC000129493366 495252477 /nfs/dbraw/zinc/25/24/77/495252477.db2.gz DRZAIVHVDPYGNP-HNNXBMFYSA-N -1 3 356.397 3.331 20 0 FGADHM COc1cc(C(=O)Nc2cccc([O-])c2F)ccc1OCc1cnn(C)c1 ZINC000129576879 495264606 /nfs/dbraw/zinc/26/46/06/495264606.db2.gz GAWXGGZDKKMTEF-UHFFFAOYSA-N -1 3 371.368 3.105 20 0 FGADHM Cc1nc(C)c(CC(=O)N[C@@H](c2ccc(Cl)cc2)C2CCC2)c(=O)[n-]1 ZINC000104462906 495284754 /nfs/dbraw/zinc/28/47/54/495284754.db2.gz ZCXIRTKQPKDKND-GOSISDBHSA-N -1 3 359.857 3.240 20 0 FGADHM C[C@H](NC(=O)CNC(=O)c1ccc([O-])cc1)c1ccc(C(F)(F)F)cc1 ZINC000580503448 505772721 /nfs/dbraw/zinc/77/27/21/505772721.db2.gz ITRKXUAKMGIMFE-NSHDSACASA-N -1 3 366.339 3.018 20 0 FGADHM O=c1nc(CN2CCOCC23CCC3)[n-]c2sc(-c3ccccc3)cc21 ZINC000135497691 495301739 /nfs/dbraw/zinc/30/17/39/495301739.db2.gz WRXNBJOQRMXXRF-UHFFFAOYSA-N -1 3 367.474 3.407 20 0 FGADHM Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000135546937 495309766 /nfs/dbraw/zinc/30/97/66/495309766.db2.gz WGJOXIMKQXIKDC-UHFFFAOYSA-N -1 3 360.377 3.006 20 0 FGADHM Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000135546937 495309769 /nfs/dbraw/zinc/30/97/69/495309769.db2.gz WGJOXIMKQXIKDC-UHFFFAOYSA-N -1 3 360.377 3.006 20 0 FGADHM Cc1nc(-c2cccc(NC(=O)c3ccc4c(c3)C(=O)[N-]C4=O)c2)oc1C ZINC000104857686 495310867 /nfs/dbraw/zinc/31/08/67/495310867.db2.gz RGJJJLMVUSSQFM-UHFFFAOYSA-N -1 3 361.357 3.094 20 0 FGADHM CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000104872855 495312064 /nfs/dbraw/zinc/31/20/64/495312064.db2.gz BQENJLNMGQFTNX-LPHOPBHVSA-N -1 3 362.429 3.369 20 0 FGADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@@H]1CC(=O)Nc2ccccc21 ZINC000129995678 495325704 /nfs/dbraw/zinc/32/57/04/495325704.db2.gz LUSOQZULCPNEGL-LLVKDONJSA-N -1 3 350.296 3.476 20 0 FGADHM CSCc1nnc(SCc2nc3c4ccccc4oc3c(=O)[n-]2)o1 ZINC000105394140 495362143 /nfs/dbraw/zinc/36/21/43/495362143.db2.gz ARZVPSRQROKBKU-UHFFFAOYSA-N -1 3 360.420 3.208 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)NCC2(c3ccccc3Cl)CC2)c1 ZINC000130334878 495375208 /nfs/dbraw/zinc/37/52/08/495375208.db2.gz VCWZJDYSFNCUPN-UHFFFAOYSA-N -1 3 358.825 3.466 20 0 FGADHM CC(=O)Nc1cccc([C@@H](C)[N-]S(=O)(=O)c2cc(F)c(F)cc2F)c1 ZINC000105617115 495377267 /nfs/dbraw/zinc/37/72/67/495377267.db2.gz YCFKMYXSBMMCPN-SECBINFHSA-N -1 3 372.368 3.102 20 0 FGADHM COc1cc(C)c([C@H](C)NC(=O)c2c[n-]c3ccccc3c2=O)cc1OC ZINC000130397196 495386614 /nfs/dbraw/zinc/38/66/14/495386614.db2.gz VYJJVHYXHOTBEM-ZDUSSCGKSA-N -1 3 366.417 3.345 20 0 FGADHM CCN(CC(=O)Nc1cccc(OC)c1)C(=O)c1ccc(C)c(C)c1[O-] ZINC000120491367 495390797 /nfs/dbraw/zinc/39/07/97/495390797.db2.gz YDTCNMLPECLJBC-UHFFFAOYSA-N -1 3 356.422 3.118 20 0 FGADHM CN(C)[C@@H]1CCOc2c([N-]S(=O)(=O)CCC3CCCC3)cccc21 ZINC000577706571 505779708 /nfs/dbraw/zinc/77/97/08/505779708.db2.gz HARHBOSOVXPXPK-QGZVFWFLSA-N -1 3 352.500 3.394 20 0 FGADHM CCCNC(=O)c1cccc(CNC(=O)Cc2ccc([O-])cc2Cl)c1 ZINC000120540827 495400862 /nfs/dbraw/zinc/40/08/62/495400862.db2.gz WRYGEQLTMVSBKI-UHFFFAOYSA-N -1 3 360.841 3.044 20 0 FGADHM CC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)c1 ZINC000106007093 495401802 /nfs/dbraw/zinc/40/18/02/495401802.db2.gz VIJGTMBIRRGFIM-LBPRGKRZSA-N -1 3 360.435 3.078 20 0 FGADHM CCCOc1cccc(CC(=O)Nc2ccccc2[N-]S(C)(=O)=O)c1 ZINC000120589511 495411640 /nfs/dbraw/zinc/41/16/40/495411640.db2.gz SXNBDQYQHXBCGH-UHFFFAOYSA-N -1 3 362.451 3.028 20 0 FGADHM Cc1ccsc1[C@H](CO)[N-]S(=O)(=O)c1ccccc1C(C)(C)C ZINC000125272508 495417598 /nfs/dbraw/zinc/41/75/98/495417598.db2.gz PNHXWQPMUDPSMY-AWEZNQCLSA-N -1 3 353.509 3.366 20 0 FGADHM Cc1cnn([C@@H]2CCCN(Cc3nc4c5ccccc5oc4c(=O)[n-]3)C2)c1 ZINC000106223792 495437564 /nfs/dbraw/zinc/43/75/64/495437564.db2.gz NBIUHNIZPLVPRV-CQSZACIVSA-N -1 3 363.421 3.011 20 0 FGADHM C[C@@H](CC(=O)Nc1nnc(SCCO)[n-]1)c1ccc(C(F)(F)F)cc1 ZINC000120698096 495438113 /nfs/dbraw/zinc/43/81/13/495438113.db2.gz OZHZMIDDWWTMTB-VIFPVBQESA-N -1 3 374.388 3.040 20 0 FGADHM C[C@@H](CC(=O)Nc1nc(SCCO)n[n-]1)c1ccc(C(F)(F)F)cc1 ZINC000120698096 495438116 /nfs/dbraw/zinc/43/81/16/495438116.db2.gz OZHZMIDDWWTMTB-VIFPVBQESA-N -1 3 374.388 3.040 20 0 FGADHM C[C@@H](CC(=O)Nc1n[n-]c(SCCO)n1)c1ccc(C(F)(F)F)cc1 ZINC000120698096 495438119 /nfs/dbraw/zinc/43/81/19/495438119.db2.gz OZHZMIDDWWTMTB-VIFPVBQESA-N -1 3 374.388 3.040 20 0 FGADHM CCCC(=O)N1CCC[C@@H](C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)C1 ZINC000125400800 495438395 /nfs/dbraw/zinc/43/83/95/495438395.db2.gz BYEQKMUXAAVAQM-LLVKDONJSA-N -1 3 358.360 3.388 20 0 FGADHM COc1cc(C(=O)NCCc2csc(C(C)(C)C)n2)cc(OC)c1[O-] ZINC000130783020 495444822 /nfs/dbraw/zinc/44/48/22/495444822.db2.gz LSPQISFLFUUIGI-UHFFFAOYSA-N -1 3 364.467 3.136 20 0 FGADHM Cn1c2ccccc2c(Cl)c1C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000120735915 495446848 /nfs/dbraw/zinc/44/68/48/495446848.db2.gz PBJWUKVMGLKLTJ-UHFFFAOYSA-N -1 3 366.812 3.188 20 0 FGADHM Cn1c2ccccc2c(Cl)c1C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000120735915 495446851 /nfs/dbraw/zinc/44/68/51/495446851.db2.gz PBJWUKVMGLKLTJ-UHFFFAOYSA-N -1 3 366.812 3.188 20 0 FGADHM Cc1nn2c(nnc2SCc2c(Cl)ccc3cccnc32)[n-]c1=O ZINC000106404531 495452489 /nfs/dbraw/zinc/45/24/89/495452489.db2.gz QLPTYJSNUKLQRW-UHFFFAOYSA-N -1 3 358.814 3.027 20 0 FGADHM CCc1c(C(=O)CSCc2nc(CC)cc(=O)[n-]2)[nH]c(C)c1C(C)=O ZINC000125642927 495475530 /nfs/dbraw/zinc/47/55/30/495475530.db2.gz GKRJERFQKNHYEV-UHFFFAOYSA-N -1 3 361.467 3.262 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)NC[C@H]2CCCO[C@@H]2c2ccccc2)c1 ZINC000131001383 495478419 /nfs/dbraw/zinc/47/84/19/495478419.db2.gz OMJNFTAOYRYSAB-OXQOHEQNSA-N -1 3 368.433 3.248 20 0 FGADHM O=C(NCC1(c2cccc(Cl)c2)CCOCC1)c1c([O-])cccc1O ZINC000125720838 495487979 /nfs/dbraw/zinc/48/79/79/495487979.db2.gz SMLKNPQTSYNOPW-UHFFFAOYSA-N -1 3 361.825 3.229 20 0 FGADHM CCc1cc(=O)[n-]c(CSCCC(=O)N2CCc3sccc3C2)n1 ZINC000125744117 495491399 /nfs/dbraw/zinc/49/13/99/495491399.db2.gz YLPPMXGQCIGMFE-UHFFFAOYSA-N -1 3 363.508 3.014 20 0 FGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@@H]1CCSc2ccccc21 ZINC000140505051 495496547 /nfs/dbraw/zinc/49/65/47/495496547.db2.gz DWOBCOUYPYACIM-LLVKDONJSA-N -1 3 369.489 3.050 20 0 FGADHM CCc1cc(=O)[n-]c(CS[C@@H](C)C(=O)Nc2ccc(F)cc2F)n1 ZINC000125788763 495498872 /nfs/dbraw/zinc/49/88/72/495498872.db2.gz WREYZARWTVVNRE-VIFPVBQESA-N -1 3 353.394 3.283 20 0 FGADHM O=C(Nc1nccn1Cc1ccccc1Cl)c1ccc2n[n-]nc2c1 ZINC000115449602 495506028 /nfs/dbraw/zinc/50/60/28/495506028.db2.gz DKNFTNHRQJJYBA-UHFFFAOYSA-N -1 3 352.785 3.108 20 0 FGADHM O=C(CCCNC(=O)c1ccc(F)cc1F)Nc1cc(Cl)ccc1[O-] ZINC000107348803 495525725 /nfs/dbraw/zinc/52/57/25/495525725.db2.gz JITJSNSBHQLAAP-UHFFFAOYSA-N -1 3 368.767 3.473 20 0 FGADHM C[C@H]1Oc2ccccc2O[C@H]1C(=O)Nc1cc(Br)ccc1[O-] ZINC000176190669 495538895 /nfs/dbraw/zinc/53/88/95/495538895.db2.gz MITQNVMLAJDGCV-RFAUZJTJSA-N -1 3 364.195 3.322 20 0 FGADHM Cc1c(C(=O)[N-]c2nnc(C(F)F)s2)nnn1-c1cccc(Cl)c1 ZINC000144624908 495546563 /nfs/dbraw/zinc/54/65/63/495546563.db2.gz SWFCRJFGAAOBTE-UHFFFAOYSA-N -1 3 370.772 3.271 20 0 FGADHM C[C@H](C(=O)Nc1ccc(F)c([N-]S(C)(=O)=O)c1)c1c(F)cccc1F ZINC000179377104 495567260 /nfs/dbraw/zinc/56/72/60/495567260.db2.gz WAKIZDITGNYURS-VIFPVBQESA-N -1 3 372.368 3.218 20 0 FGADHM O=c1cc(CN2CCC[C@H]2C[C@H](O)c2ccco2)c2ccc([O-])cc2o1 ZINC000182457717 495570867 /nfs/dbraw/zinc/57/08/67/495570867.db2.gz SRKWZWSBUYXLJT-YOEHRIQHSA-N -1 3 355.390 3.180 20 0 FGADHM CS[C@@H](C)CC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000179388172 495571626 /nfs/dbraw/zinc/57/16/26/495571626.db2.gz CQZFOTUHQANHJO-NSHDSACASA-N -1 3 370.902 3.364 20 0 FGADHM Cc1ccc(NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1Cl ZINC000170706184 495575275 /nfs/dbraw/zinc/57/52/75/495575275.db2.gz GCLIMJHYPSDDBP-UHFFFAOYSA-N -1 3 373.840 3.344 20 0 FGADHM C[C@@H](O)CC(C)(C)C[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000182476457 495577623 /nfs/dbraw/zinc/57/76/23/495577623.db2.gz XSNGJHDQDAPVJQ-SECBINFHSA-N -1 3 373.824 3.434 20 0 FGADHM O=S(=O)([N-]c1ccncc1Br)c1ccc(Cl)s1 ZINC000147724515 495578089 /nfs/dbraw/zinc/57/80/89/495578089.db2.gz YYPWAQCIYSMEIB-UHFFFAOYSA-N -1 3 353.650 3.360 20 0 FGADHM Fc1ccc(CN2CCC[C@@H]2c2nc(-c3ccc4n[n-]nc4c3)no2)cc1 ZINC000571687645 505790773 /nfs/dbraw/zinc/79/07/73/505790773.db2.gz GOGRVXCZDJSLDR-QGZVFWFLSA-N -1 3 364.384 3.484 20 0 FGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@H]2CCC[C@@H](C)C2)cc1OC ZINC000149864197 495601132 /nfs/dbraw/zinc/60/11/32/495601132.db2.gz VPWKTLUFYAXBTF-OLZOCXBDSA-N -1 3 369.487 3.157 20 0 FGADHM CNC(=O)c1ccc([N-]S(=O)(=O)c2cccc(Cl)c2)c(Cl)c1 ZINC000158879890 495607225 /nfs/dbraw/zinc/60/72/25/495607225.db2.gz VLDRIYQTNGLWOO-UHFFFAOYSA-N -1 3 359.234 3.154 20 0 FGADHM CNC(=O)c1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2C)c(Cl)c1 ZINC000158885157 495608882 /nfs/dbraw/zinc/60/88/82/495608882.db2.gz NAUFYJARJWDJDG-UHFFFAOYSA-N -1 3 373.261 3.462 20 0 FGADHM COCCS(=O)(=O)[N-]c1cccc(Oc2ccnc3ccccc32)c1 ZINC000154454992 495622234 /nfs/dbraw/zinc/62/22/34/495622234.db2.gz DIHFYYVBEBJUDV-UHFFFAOYSA-N -1 3 358.419 3.415 20 0 FGADHM Cc1nc2c(c(=O)[nH]n2C)c(C)c1CCC(=O)Nc1c([O-])cccc1Cl ZINC000571699458 505793512 /nfs/dbraw/zinc/79/35/12/505793512.db2.gz FGZYEEKXBMMYJV-UHFFFAOYSA-N -1 3 374.828 3.221 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(NCCC[C@@H]3CCCC[C@@H]3O)nc2)n1 ZINC000154480449 495628670 /nfs/dbraw/zinc/62/86/70/495628670.db2.gz HMJWFMKHKIBLNX-YOEHRIQHSA-N -1 3 356.470 3.138 20 0 FGADHM CC(C)(C)c1nnc([N-]C(=O)c2cccc(OCC(F)(F)F)n2)s1 ZINC000150806144 495640932 /nfs/dbraw/zinc/64/09/32/495640932.db2.gz UOVPTLGGZYAJCI-UHFFFAOYSA-N -1 3 360.361 3.424 20 0 FGADHM CCc1cccc(S(=O)(=O)[N-]c2cc(C(=O)OC)c(F)cc2F)c1 ZINC000176435588 495649148 /nfs/dbraw/zinc/64/91/48/495649148.db2.gz HKVKADSGGAFYDQ-UHFFFAOYSA-N -1 3 355.362 3.115 20 0 FGADHM CSCCCC[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000154544493 495650108 /nfs/dbraw/zinc/65/01/08/495650108.db2.gz WUVYJBCBHXIDDE-UHFFFAOYSA-N -1 3 356.282 3.010 20 0 FGADHM Cc1nn2c(nc(C)cc2C)c1C(=O)[N-]c1ncn(C2CCCCC2)n1 ZINC000182669706 495656877 /nfs/dbraw/zinc/65/68/77/495656877.db2.gz BPACXHZOFUAKCK-UHFFFAOYSA-N -1 3 353.430 3.004 20 0 FGADHM O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)c1cccc2nn[n-]c21 ZINC000182688208 495664924 /nfs/dbraw/zinc/66/49/24/495664924.db2.gz MLJGCYKDLQEDGY-UHFFFAOYSA-N -1 3 365.374 3.062 20 0 FGADHM O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)c1cccc2[n-]nnc21 ZINC000182688208 495664927 /nfs/dbraw/zinc/66/49/27/495664927.db2.gz MLJGCYKDLQEDGY-UHFFFAOYSA-N -1 3 365.374 3.062 20 0 FGADHM O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)c1cccc2n[n-]nc21 ZINC000182688208 495664929 /nfs/dbraw/zinc/66/49/29/495664929.db2.gz MLJGCYKDLQEDGY-UHFFFAOYSA-N -1 3 365.374 3.062 20 0 FGADHM COC[C@H]([N-]S(=O)(=O)c1c(C)cccc1F)c1ccc(F)c(F)c1 ZINC000185667402 495669715 /nfs/dbraw/zinc/66/97/15/495669715.db2.gz ZEOWWNIAAVADNS-HNNXBMFYSA-N -1 3 359.369 3.078 20 0 FGADHM COCc1nc(C)c(C(=O)Nc2cc(Br)ccc2[O-])s1 ZINC000179656930 495679256 /nfs/dbraw/zinc/67/92/56/495679256.db2.gz KMNXRQGWFPIIJP-UHFFFAOYSA-N -1 3 357.229 3.318 20 0 FGADHM O=C([N-]c1nnc(C(F)(F)F)s1)c1ccc(-c2cncnc2)cc1F ZINC000185734355 495701840 /nfs/dbraw/zinc/70/18/40/495701840.db2.gz UUPJXOYDAKBIAG-UHFFFAOYSA-N -1 3 369.303 3.405 20 0 FGADHM CCc1cnc(C[N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)s1 ZINC000173811383 495703298 /nfs/dbraw/zinc/70/32/98/495703298.db2.gz NATVDVCSDVZJOC-UHFFFAOYSA-N -1 3 368.377 3.342 20 0 FGADHM C[C@@H](c1nc(-c2ccccc2)no1)[S@@](=O)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000574546829 505798463 /nfs/dbraw/zinc/79/84/63/505798463.db2.gz UEDIATUXHCAKDF-LJZMDLFKSA-N -1 3 370.434 3.120 20 0 FGADHM Cc1cc(Cl)cc(NC(=O)CC2(N3CCOCC3)CCCC2)c1[O-] ZINC000179806008 495741881 /nfs/dbraw/zinc/74/18/81/495741881.db2.gz MPDKQUJBFVRJRQ-UHFFFAOYSA-N -1 3 352.862 3.328 20 0 FGADHM CCc1nc([C@@H](C)NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)cs1 ZINC000151194782 495768553 /nfs/dbraw/zinc/76/85/53/495768553.db2.gz 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20 0 FGADHM O=S(=O)([N-][C@H]1CC=CCC1)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000187106933 496297124 /nfs/dbraw/zinc/29/71/24/496297124.db2.gz ULRBFYCRBBGUNG-ZFWWWQNUSA-N -1 3 371.886 3.142 20 0 FGADHM CC(C)[C@H](C(=O)NCCNC(=O)c1ccc([O-])cc1)c1cccc(Cl)c1 ZINC000175238108 496303299 /nfs/dbraw/zinc/30/32/99/496303299.db2.gz YQPQOONQVBVGDG-SFHVURJKSA-N -1 3 374.868 3.331 20 0 FGADHM CCOC(=O)[C@@H](Cc1cccc2ccccc21)NC(=O)c1cccc([O-])c1 ZINC000187155948 496317436 /nfs/dbraw/zinc/31/74/36/496317436.db2.gz LRCFSVPQRFRMTO-HXUWFJFHSA-N -1 3 363.413 3.450 20 0 FGADHM CS(=O)(=O)[N-]c1cc(NC(=O)C/C=C/c2ccccc2F)ccc1F ZINC000175273912 496317984 /nfs/dbraw/zinc/31/79/84/496317984.db2.gz LWPQCSZDLCVPHZ-GQCTYLIASA-N -1 3 366.389 3.378 20 0 FGADHM CCOCCC1(C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000156824470 496341461 /nfs/dbraw/zinc/34/14/61/496341461.db2.gz DOIHEMRXYAKALB-UHFFFAOYSA-N -1 3 352.283 3.479 20 0 FGADHM Cc1cccc(S(=O)(=O)[N-][C@H](C)c2ccc(-n3cccn3)cc2)c1F ZINC000181338926 496359053 /nfs/dbraw/zinc/35/90/53/496359053.db2.gz WLCYAVWCJPTBJD-CQSZACIVSA-N -1 3 359.426 3.359 20 0 FGADHM COc1cc(C(=O)NCc2cccc(Br)c2)cc(OC)c1[O-] ZINC000162506941 496364758 /nfs/dbraw/zinc/36/47/58/496364758.db2.gz SKDYYPIRFDEEDA-UHFFFAOYSA-N -1 3 366.211 3.102 20 0 FGADHM COc1cc(N(C)C(=O)c2cc(-c3ccc(C)o3)[n-]n2)cc(OC)c1OC ZINC000172640448 496371178 /nfs/dbraw/zinc/37/11/78/496371178.db2.gz HIGCPGJOJKNWSJ-UHFFFAOYSA-N -1 3 371.393 3.281 20 0 FGADHM COc1cc(N(C)C(=O)c2cc(-c3ccc(C)o3)n[n-]2)cc(OC)c1OC ZINC000172640448 496371184 /nfs/dbraw/zinc/37/11/84/496371184.db2.gz HIGCPGJOJKNWSJ-UHFFFAOYSA-N -1 3 371.393 3.281 20 0 FGADHM CC1(CC(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)CCCC1 ZINC000580796884 505839985 /nfs/dbraw/zinc/83/99/85/505839985.db2.gz HSUJVFQAPBNFCH-UHFFFAOYSA-N -1 3 354.447 3.175 20 0 FGADHM Cc1cccc(S(=O)(=O)[N-]Cc2csc(-c3ccco3)n2)c1F ZINC000181378086 496371974 /nfs/dbraw/zinc/37/19/74/496371974.db2.gz UKKICRTZCHIHPV-UHFFFAOYSA-N -1 3 352.412 3.329 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)NCc2ccc(C)cc2OC(C)C)c1 ZINC000153208593 496384199 /nfs/dbraw/zinc/38/41/99/496384199.db2.gz QVJPAAIFEGJOQS-UHFFFAOYSA-N -1 3 356.422 3.376 20 0 FGADHM O=C(Nc1cccc(N2CCC[NH+]=C2[O-])c1)c1cc(F)c([O-])c(Cl)c1 ZINC000184455507 496391384 /nfs/dbraw/zinc/39/13/84/496391384.db2.gz ZTEIQCIBAWBOFH-UHFFFAOYSA-N -1 3 363.776 3.357 20 0 FGADHM CCOC(=O)c1ccc(NC(=O)Cn2c(CC)nc3ccccc32)c([O-])c1 ZINC000172716618 496399324 /nfs/dbraw/zinc/39/93/24/496399324.db2.gz ZYDJKLZIVHHPLP-UHFFFAOYSA-N -1 3 367.405 3.120 20 0 FGADHM CC[C@@H](C)Oc1cc(CNC(=O)c2c[n-]c3ccccc3c2=O)ccn1 ZINC000181451253 496400878 /nfs/dbraw/zinc/40/08/78/496400878.db2.gz NUNZVEMXDYJZSR-CYBMUJFWSA-N -1 3 351.406 3.030 20 0 FGADHM CC(F)(F)c1cccc(NC(=O)c2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)c1 ZINC000187351850 496404494 /nfs/dbraw/zinc/40/44/94/496404494.db2.gz OBRWDZDAFSQROR-SFHVURJKSA-N -1 3 373.359 3.105 20 0 FGADHM O=S(=O)([N-][C@H]1CCO[C@@H](C2CC2)C1)c1ccc(F)cc1C(F)(F)F ZINC000162749878 496406861 /nfs/dbraw/zinc/40/68/61/496406861.db2.gz BINQSLIITJOICR-WCQYABFASA-N -1 3 367.364 3.080 20 0 FGADHM CO[C@H](c1ccc(Cl)cc1)[C@@H](C)[N-]S(=O)(=O)c1cn(C(C)C)cn1 ZINC000153284093 496408626 /nfs/dbraw/zinc/40/86/26/496408626.db2.gz JCUPVIBPWWYRIR-WBMJQRKESA-N -1 3 371.890 3.172 20 0 FGADHM COC(=O)c1sccc1S(=O)(=O)[N-]C(C)(C)CCc1ccccc1 ZINC000157130458 496411657 /nfs/dbraw/zinc/41/16/57/496411657.db2.gz ILOGUPUKIVPAFJ-UHFFFAOYSA-N -1 3 367.492 3.224 20 0 FGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@@H](C)C(C)(C)c1ccccc1 ZINC000157172148 496421546 /nfs/dbraw/zinc/42/15/46/496421546.db2.gz RKIBJLMRNHDFLH-LBPRGKRZSA-N -1 3 367.492 3.179 20 0 FGADHM O=C(N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1)c1ccc(O)cc1[O-] ZINC000187425717 496435171 /nfs/dbraw/zinc/43/51/71/496435171.db2.gz BRUJLSCMFAJBEA-LLVKDONJSA-N -1 3 366.339 3.125 20 0 FGADHM COc1cc(C(=O)[N-]c2nc3ccccc3n2-c2ccccc2F)on1 ZINC000153410680 496446730 /nfs/dbraw/zinc/44/67/30/496446730.db2.gz UMJJEIIDXLRPOB-UHFFFAOYSA-N -1 3 352.325 3.414 20 0 FGADHM COc1ccc(-c2nc(C(=O)[N-]c3n[nH]c(C4CCC4)n3)cs2)cc1 ZINC000184577114 496447391 /nfs/dbraw/zinc/44/73/91/496447391.db2.gz GHVMDVGOEZIAMA-UHFFFAOYSA-N -1 3 355.423 3.457 20 0 FGADHM COc1cccc(C(=O)N[C@@H](C)c2nc(-c3cccc(F)c3)no2)c1[O-] ZINC000175601797 496459809 /nfs/dbraw/zinc/45/98/09/496459809.db2.gz XDHGNNRVHUAZJC-JTQLQIEISA-N -1 3 357.341 3.081 20 0 FGADHM CC(C)n1cnc(S(=O)(=O)[N-][C@@H](C)c2ncc(-c3ccccc3)o2)c1 ZINC000153457083 496460673 /nfs/dbraw/zinc/46/06/73/496460673.db2.gz CXACRCKJMRKKNJ-ZDUSSCGKSA-N -1 3 360.439 3.159 20 0 FGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000157352986 496461312 /nfs/dbraw/zinc/46/13/12/496461312.db2.gz RTYLXYACJVGMEB-NWDGAFQWSA-N -1 3 371.867 3.023 20 0 FGADHM Cc1ccc(SC2(C(=O)N3CCc4c(nc[n-]c4=O)C3)CCCC2)cc1 ZINC000571919813 505845804 /nfs/dbraw/zinc/84/58/04/505845804.db2.gz RBNPGLGBKHGKNY-UHFFFAOYSA-N -1 3 369.490 3.480 20 0 FGADHM O=C(Cc1ccc([O-])cc1Cl)NCc1ccc(Cn2cccn2)cc1 ZINC000178474676 496469204 /nfs/dbraw/zinc/46/92/04/496469204.db2.gz UOLGBFSZEXBAAP-UHFFFAOYSA-N -1 3 355.825 3.149 20 0 FGADHM CCN(CC)C(=O)N1CCC(C(=O)Nc2ccc(Cl)cc2[O-])CC1 ZINC000153492197 496474107 /nfs/dbraw/zinc/47/41/07/496474107.db2.gz DPBXESLNZWQYKM-UHFFFAOYSA-N -1 3 353.850 3.158 20 0 FGADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@H](C)c1ccc(Cl)cc1 ZINC000178495837 496475418 /nfs/dbraw/zinc/47/54/18/496475418.db2.gz WAADRKLWZFCSGK-SNVBAGLBSA-N -1 3 371.817 3.305 20 0 FGADHM Cc1cc(F)c(S(=O)(=O)[N-][C@H]2CCO[C@@H](c3ccccc3)C2)cc1F ZINC000163321396 496499044 /nfs/dbraw/zinc/49/90/44/496499044.db2.gz YUZRZKXWXWAYAU-WMLDXEAASA-N -1 3 367.417 3.472 20 0 FGADHM O=C([O-])[C@H]1Cc2c(Br)cccc2CN1CCC1CCOCC1 ZINC000571931342 505848431 /nfs/dbraw/zinc/84/84/31/505848431.db2.gz SUYCXRVMYUMRLA-MRXNPFEDSA-N -1 3 368.271 3.077 20 0 FGADHM O=S(=O)([N-][C@H]1CCO[C@H](c2ccccc2)C1)c1cc(F)cc(F)c1 ZINC000163398039 496510460 /nfs/dbraw/zinc/51/04/60/496510460.db2.gz YZXQHQPKIIWQKO-RDJZCZTQSA-N -1 3 353.390 3.163 20 0 FGADHM Cc1cccc(C(=O)N2CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c1[O-] ZINC000163478735 496520135 /nfs/dbraw/zinc/52/01/35/496520135.db2.gz PDVPVBIACKQVQR-GJZGRUSLSA-N -1 3 362.470 3.466 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)[C@@H]1CCCO1 ZINC000157754950 496547297 /nfs/dbraw/zinc/54/72/97/496547297.db2.gz VGBPHTOCUBDHDU-RYUDHWBXSA-N -1 3 355.353 3.080 20 0 FGADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](c2ccccc2)C(C)(C)C)c(C)o1 ZINC000175809042 496553876 /nfs/dbraw/zinc/55/38/76/496553876.db2.gz HXKQQOLQQGBYPV-INIZCTEOSA-N -1 3 364.467 3.013 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000163757285 496554814 /nfs/dbraw/zinc/55/48/14/496554814.db2.gz DOBNFRAVQVMSQC-QGZVFWFLSA-N -1 3 364.804 3.468 20 0 FGADHM CN(CCOc1ccc(Cl)cc1)C(=O)NCc1ccc([O-])c(F)c1 ZINC000163762770 496554937 /nfs/dbraw/zinc/55/49/37/496554937.db2.gz JEFXDDORJPQNLG-UHFFFAOYSA-N -1 3 352.793 3.405 20 0 FGADHM CC[C@H](CSC)[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000163825161 496561302 /nfs/dbraw/zinc/56/13/02/496561302.db2.gz LCFPNSYHXQDBEL-SECBINFHSA-N -1 3 356.282 3.008 20 0 FGADHM CC(C)Cn1cc([N-]S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)c(C(F)F)n1 ZINC000580848507 505852082 /nfs/dbraw/zinc/85/20/82/505852082.db2.gz CBQHGXIDRYNISF-TXEJJXNPSA-N -1 3 364.462 3.111 20 0 FGADHM Cc1ccc(-c2nnc(NC(=O)c3c[nH]nc3-c3ccccc3F)[n-]2)o1 ZINC000181874888 496581762 /nfs/dbraw/zinc/58/17/62/496581762.db2.gz JFNILTLXVUNERZ-UHFFFAOYSA-N -1 3 352.329 3.155 20 0 FGADHM Cc1ccc(-c2n[n-]c(NC(=O)c3c[nH]nc3-c3ccccc3F)n2)o1 ZINC000181874888 496581767 /nfs/dbraw/zinc/58/17/67/496581767.db2.gz JFNILTLXVUNERZ-UHFFFAOYSA-N -1 3 352.329 3.155 20 0 FGADHM Cc1ccc(-c2nc(NC(=O)c3c[nH]nc3-c3ccccc3F)n[n-]2)o1 ZINC000181874888 496581775 /nfs/dbraw/zinc/58/17/75/496581775.db2.gz JFNILTLXVUNERZ-UHFFFAOYSA-N -1 3 352.329 3.155 20 0 FGADHM COC(=O)CCCc1nnc([N-]C(=O)c2c(F)cccc2Cl)s1 ZINC000157908885 496583802 /nfs/dbraw/zinc/58/38/02/496583802.db2.gz NISNQLCEUJUILF-UHFFFAOYSA-N -1 3 357.794 3.079 20 0 FGADHM O=C(Nc1nnc(-c2ccccn2)[n-]1)C1(c2ccc(F)cc2F)CCC1 ZINC000181880735 496584596 /nfs/dbraw/zinc/58/45/96/496584596.db2.gz QMTDAVIBNWLQOB-UHFFFAOYSA-N -1 3 355.348 3.205 20 0 FGADHM O=C(Nc1nc(-c2ccccn2)n[n-]1)C1(c2ccc(F)cc2F)CCC1 ZINC000181880735 496584601 /nfs/dbraw/zinc/58/46/01/496584601.db2.gz QMTDAVIBNWLQOB-UHFFFAOYSA-N -1 3 355.348 3.205 20 0 FGADHM O=C(Nc1n[n-]c(-c2ccccn2)n1)C1(c2ccc(F)cc2F)CCC1 ZINC000181880735 496584608 /nfs/dbraw/zinc/58/46/08/496584608.db2.gz QMTDAVIBNWLQOB-UHFFFAOYSA-N -1 3 355.348 3.205 20 0 FGADHM C[C@@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)c1cccc2[n-]nnc21 ZINC000187876518 496604989 /nfs/dbraw/zinc/60/49/89/496604989.db2.gz LGZNAYBRXMIWDB-BDJLRTHQSA-N -1 3 356.813 3.214 20 0 FGADHM C[C@@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)c1cccc2nn[n-]c21 ZINC000187876518 496604991 /nfs/dbraw/zinc/60/49/91/496604991.db2.gz LGZNAYBRXMIWDB-BDJLRTHQSA-N -1 3 356.813 3.214 20 0 FGADHM C[C@@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)c1cccc2n[n-]nc21 ZINC000187876518 496604995 /nfs/dbraw/zinc/60/49/95/496604995.db2.gz LGZNAYBRXMIWDB-BDJLRTHQSA-N -1 3 356.813 3.214 20 0 FGADHM O=C(CCCCOc1ccc(Br)cc1)[N-]OC[C@H]1CCOC1 ZINC000187882617 496607170 /nfs/dbraw/zinc/60/71/70/496607170.db2.gz DBPCZOFAXMYONV-ZDUSSCGKSA-N -1 3 372.259 3.083 20 0 FGADHM C[C@H](C(=O)Nc1ccccc1-c1ccccc1)N1CCC[C@H](C(=O)[O-])C1 ZINC000164608920 496623548 /nfs/dbraw/zinc/62/35/48/496623548.db2.gz IIWXIGNUIUJVSN-WBVHZDCISA-N -1 3 352.434 3.477 20 0 FGADHM COc1cc(C(=O)N2CCN(c3cccc(Cl)c3)C[C@H]2C)ccc1[O-] ZINC000578076395 505856153 /nfs/dbraw/zinc/85/61/53/505856153.db2.gz HCLOGNAIQYKGQN-CYBMUJFWSA-N -1 3 360.841 3.405 20 0 FGADHM Cc1nc(C)c(S(=O)(=O)[N-][C@H](C[C@H]2CCOC2)c2ccccc2)s1 ZINC000179005979 496642592 /nfs/dbraw/zinc/64/25/92/496642592.db2.gz XELZRLHTAFZYAH-GDBMZVCRSA-N -1 3 366.508 3.206 20 0 FGADHM C[C@@H]1CC[C@@](CO)(N(C)Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)C1 ZINC000188001983 496646494 /nfs/dbraw/zinc/64/64/94/496646494.db2.gz PRFUADKAMWUEBF-CWTRNNRKSA-N -1 3 373.478 3.228 20 0 FGADHM CCc1ccccc1S(=O)(=O)[N-]c1ccc(N2CCN(C)CC2)cc1C ZINC000188031885 496656548 /nfs/dbraw/zinc/65/65/48/496656548.db2.gz LIDOQMIAYJNAMR-UHFFFAOYSA-N -1 3 373.522 3.110 20 0 FGADHM O=C(c1ccc(-c2ccc(Cl)cc2)s1)N1CCc2nc[n-]c(=O)c2C1 ZINC000179046190 496656860 /nfs/dbraw/zinc/65/68/60/496656860.db2.gz MHTYXLZYUNVDDA-UHFFFAOYSA-N -1 3 371.849 3.350 20 0 FGADHM O=C(N[C@H]1COc2ccccc2C1)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000188036714 496658378 /nfs/dbraw/zinc/65/83/78/496658378.db2.gz OQFJIHKYIIEGEW-LJQANCHMSA-N -1 3 373.408 3.357 20 0 FGADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)CCc1ncc(-c2ccccc2Cl)o1 ZINC000176055112 496662672 /nfs/dbraw/zinc/66/26/72/496662672.db2.gz DJYCJGROOWWYGP-UHFFFAOYSA-N -1 3 374.784 3.076 20 0 FGADHM Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1c(C)[nH]c(=O)[n-]c1=O ZINC000176055013 496663360 /nfs/dbraw/zinc/66/33/60/496663360.db2.gz IXRDQJUHHPTZBC-UHFFFAOYSA-N -1 3 360.370 3.020 20 0 FGADHM O=C(NCc1nc2ccccc2n1C1CC1)c1c[n-]c2ccccc2c1=O ZINC000185106557 496663577 /nfs/dbraw/zinc/66/35/77/496663577.db2.gz BELSIAKHOVMIDK-UHFFFAOYSA-N -1 3 358.401 3.143 20 0 FGADHM C[C@]1(CNC(=O)c2ccc(C(=O)c3cccc([O-])c3)cc2)CCCC[C@@H]1O ZINC000188050441 496664328 /nfs/dbraw/zinc/66/43/28/496664328.db2.gz JFGAZODLRAVIRO-SIKLNZKXSA-N -1 3 367.445 3.294 20 0 FGADHM COc1cc(C(=O)NC2(c3nc(C)cs3)CCCC2)cc(OC)c1[O-] ZINC000179114918 496680355 /nfs/dbraw/zinc/68/03/55/496680355.db2.gz XLFHSRYPACJYNW-UHFFFAOYSA-N -1 3 362.451 3.374 20 0 FGADHM CNC(=O)c1ccc(NC(=O)Cc2ccc([O-])cc2Cl)cc1Cl ZINC000182153824 496690368 /nfs/dbraw/zinc/69/03/68/496690368.db2.gz UQMXRPUUEXCAQX-UHFFFAOYSA-N -1 3 353.205 3.240 20 0 FGADHM COC(=O)c1cc(S(=O)(=O)[N-][C@@H](C)c2cc3ccccc3o2)c(C)o1 ZINC000166919658 496694722 /nfs/dbraw/zinc/69/47/22/496694722.db2.gz SNJFJHHININRBM-JTQLQIEISA-N -1 3 363.391 3.160 20 0 FGADHM COC(=O)c1cc(S(=O)(=O)[N-][C@H](C)c2cc(C)sc2C)c(C)o1 ZINC000166932425 496694772 /nfs/dbraw/zinc/69/47/72/496694772.db2.gz ONYWNABZFNRXAF-SECBINFHSA-N -1 3 357.453 3.092 20 0 FGADHM O=C(Nc1cccc([O-])c1F)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000179155322 496695284 /nfs/dbraw/zinc/69/52/84/496695284.db2.gz SZXVMVDQECRUPY-UHFFFAOYSA-N -1 3 360.360 3.161 20 0 FGADHM CCOC(=O)[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000154150703 496696223 /nfs/dbraw/zinc/69/62/23/496696223.db2.gz UWBWZKFAXSUYJR-KOLCDFICSA-N -1 3 366.266 3.004 20 0 FGADHM COc1cc(Br)c(S(=O)(=O)[N-]C2(C)CCC2)cc1Cl ZINC000167414930 496700662 /nfs/dbraw/zinc/70/06/62/496700662.db2.gz RHSPLCRQYOMGOA-UHFFFAOYSA-N -1 3 368.680 3.332 20 0 FGADHM O=C(Nc1ccccc1[O-])C1CCN(C(=O)NCCc2cccs2)CC1 ZINC000188157951 496704175 /nfs/dbraw/zinc/70/41/75/496704175.db2.gz VOIPVWGZMGKLSN-UHFFFAOYSA-N -1 3 373.478 3.057 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)c3c(Cl)cccc3OC)[n-]c21 ZINC000158460463 496706692 /nfs/dbraw/zinc/70/66/92/496706692.db2.gz QGXUEHAWYCOIMQ-UHFFFAOYSA-N -1 3 359.769 3.264 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3c(Cl)cccc3OC)nc21 ZINC000158460463 496706695 /nfs/dbraw/zinc/70/66/95/496706695.db2.gz QGXUEHAWYCOIMQ-UHFFFAOYSA-N -1 3 359.769 3.264 20 0 FGADHM Cc1ccc(CCN(C[C@@H]2CCCO2)C(=O)c2cccc3[n-]nnc32)cc1 ZINC000188208533 496716737 /nfs/dbraw/zinc/71/67/37/496716737.db2.gz CJOOKQRRNDRAPZ-KRWDZBQOSA-N -1 3 364.449 3.130 20 0 FGADHM Cc1ccc(CCN(C[C@@H]2CCCO2)C(=O)c2cccc3nn[n-]c32)cc1 ZINC000188208533 496716738 /nfs/dbraw/zinc/71/67/38/496716738.db2.gz CJOOKQRRNDRAPZ-KRWDZBQOSA-N -1 3 364.449 3.130 20 0 FGADHM Cc1ccc(CCN(C[C@@H]2CCCO2)C(=O)c2cccc3n[n-]nc32)cc1 ZINC000188208533 496716739 /nfs/dbraw/zinc/71/67/39/496716739.db2.gz CJOOKQRRNDRAPZ-KRWDZBQOSA-N -1 3 364.449 3.130 20 0 FGADHM C[C@@H](C(=O)Nc1ccccc1[N-]S(C)(=O)=O)c1cn(C)c2ccccc12 ZINC000185262883 496720490 /nfs/dbraw/zinc/72/04/90/496720490.db2.gz LEDJCDSSKBKAIX-CYBMUJFWSA-N -1 3 371.462 3.292 20 0 FGADHM O=C(N[C@@H]1CCN(c2ccc(Br)cc2)C1)c1cccc([O-])c1 ZINC000182357603 496731306 /nfs/dbraw/zinc/73/13/06/496731306.db2.gz OJJRYULWBCNHPV-CQSZACIVSA-N -1 3 361.239 3.163 20 0 FGADHM O=C([O-])[C@@H](CSCCOc1ccccc1)NCc1ccc(F)c(F)c1 ZINC000277383815 496756144 /nfs/dbraw/zinc/75/61/44/496756144.db2.gz QWTDJVTVZHWMHH-QGZVFWFLSA-N -1 3 367.417 3.320 20 0 FGADHM O=C([O-])[C@H](CSCCOc1ccccc1)NCc1cc(F)cc(F)c1 ZINC000277403900 496762591 /nfs/dbraw/zinc/76/25/91/496762591.db2.gz SBQNLESVVZHOIR-KRWDZBQOSA-N -1 3 367.417 3.320 20 0 FGADHM CC[C@@H](C)c1cc(C(=O)[N-]c2ccc(Cl)c(S(C)(=O)=O)c2)on1 ZINC000191446969 496765580 /nfs/dbraw/zinc/76/55/80/496765580.db2.gz MWBPYWCWACMQLJ-SECBINFHSA-N -1 3 356.831 3.497 20 0 FGADHM COc1ccc([C@H](CC(=O)[O-])NCc2cccc3cc[nH]c32)cc1OC ZINC000277450622 496776603 /nfs/dbraw/zinc/77/66/03/496776603.db2.gz VABSCINNAUWNRL-INIZCTEOSA-N -1 3 354.406 3.491 20 0 FGADHM COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)c1 ZINC000188414900 496782772 /nfs/dbraw/zinc/78/27/72/496782772.db2.gz TYAJZMTWPPIZRA-JSGCOSHPSA-N -1 3 368.393 3.133 20 0 FGADHM COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)c1 ZINC000188414900 496782775 /nfs/dbraw/zinc/78/27/75/496782775.db2.gz TYAJZMTWPPIZRA-JSGCOSHPSA-N -1 3 368.393 3.133 20 0 FGADHM COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)c1 ZINC000188414900 496782779 /nfs/dbraw/zinc/78/27/79/496782779.db2.gz TYAJZMTWPPIZRA-JSGCOSHPSA-N -1 3 368.393 3.133 20 0 FGADHM Cc1cc(CN[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])ccc1-n1cncn1 ZINC000277478363 496786499 /nfs/dbraw/zinc/78/64/99/496786499.db2.gz WLXCNQLERQPKHV-DNVCBOLYSA-N -1 3 350.422 3.127 20 0 FGADHM COCCOC(=O)c1sc2[n-]c([C@H]3CCCCS3)nc(=O)c2c1C ZINC000273388239 496791642 /nfs/dbraw/zinc/79/16/42/496791642.db2.gz ZIBQPHDEAWSKKA-SNVBAGLBSA-N -1 3 368.480 3.467 20 0 FGADHM COc1cc(C[NH2+][C@H](CC(=O)[O-])C(C)(C)C)cc(Br)c1[O-] ZINC000277538133 496805932 /nfs/dbraw/zinc/80/59/32/496805932.db2.gz ZNBHTFIGACVAMI-GFCCVEGCSA-N -1 3 360.248 3.142 20 0 FGADHM Cn1cccc1[C@H]1CCCN1Cc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000264126934 496817984 /nfs/dbraw/zinc/81/79/84/496817984.db2.gz WEQVJVWQQIZMKQ-GOSISDBHSA-N -1 3 374.448 3.197 20 0 FGADHM Cc1nc(C)c(CC(=O)N2C[C@H](c3ccccc3)C3(CCC3)C2)c(=O)[n-]1 ZINC000572005126 505868114 /nfs/dbraw/zinc/86/81/14/505868114.db2.gz WWTABDVHBGJNGD-GOSISDBHSA-N -1 3 351.450 3.138 20 0 FGADHM Cc1c(C(=O)[N-]c2ccccc2SCCC(N)=O)oc2c1C(=O)CCC2 ZINC000264143490 496822304 /nfs/dbraw/zinc/82/23/04/496822304.db2.gz KCSJMKIEEISEIM-UHFFFAOYSA-N -1 3 372.446 3.327 20 0 FGADHM Cc1cccc(CN(CCN(C)C)C(=O)c2cc(=O)c3ccccc3[n-]2)c1 ZINC000264250123 496851710 /nfs/dbraw/zinc/85/17/10/496851710.db2.gz BFKHXSNOBDHLJV-UHFFFAOYSA-N -1 3 363.461 3.453 20 0 FGADHM CC[C@H](C)[C@@H]([N-]S(=O)(=O)c1ccc2[nH]c(=O)ccc2c1)C(F)(F)F ZINC000277688710 496853762 /nfs/dbraw/zinc/85/37/62/496853762.db2.gz KCQLAHDOWCRMJR-LKFCYVNXSA-N -1 3 362.373 3.196 20 0 FGADHM Cc1nnc([C@H](C)[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2C)s1 ZINC000273633353 496858234 /nfs/dbraw/zinc/85/82/34/496858234.db2.gz SUEBZEVMBZIPDO-QMMMGPOBSA-N -1 3 365.402 3.213 20 0 FGADHM O=S(=O)([N-]Cc1ccc(-n2cnc3ccccc32)cc1)c1ccco1 ZINC000188646245 496863768 /nfs/dbraw/zinc/86/37/68/496863768.db2.gz FMKKKXXQDCKUSG-UHFFFAOYSA-N -1 3 353.403 3.097 20 0 FGADHM Cc1ccc(Cl)cc1N1CC[C@H](C[N-]S(=O)(=O)c2ccco2)C1 ZINC000188659325 496868706 /nfs/dbraw/zinc/86/87/06/496868706.db2.gz GVDRTOAKLQQHSD-CYBMUJFWSA-N -1 3 354.859 3.046 20 0 FGADHM O=S(=O)(Cc1ccc(F)cc1Cl)c1nnc(Cc2ccccc2)[n-]1 ZINC000195287815 496876209 /nfs/dbraw/zinc/87/62/09/496876209.db2.gz NFEDMNRHMJDLIR-UHFFFAOYSA-N -1 3 365.817 3.162 20 0 FGADHM CC(C)(COc1ncc(Cl)cc1Cl)[N-]S(=O)(=O)c1ccco1 ZINC000188777118 496906626 /nfs/dbraw/zinc/90/66/26/496906626.db2.gz VOZJAGJDYQSDTL-UHFFFAOYSA-N -1 3 365.238 3.117 20 0 FGADHM Cc1cc2c(ncnc2N2CCC[C@@H]2C(=O)Nc2ccccc2[O-])s1 ZINC000269326186 496920308 /nfs/dbraw/zinc/92/03/08/496920308.db2.gz VLYBTRCNNAVAAB-CQSZACIVSA-N -1 3 354.435 3.313 20 0 FGADHM CC(C)c1cccc(CC(=O)Nc2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)c1 ZINC000569195072 505874162 /nfs/dbraw/zinc/87/41/62/505874162.db2.gz PNSDOBCLIWGRQC-NRFANRHFSA-N -1 3 365.433 3.046 20 0 FGADHM CC(C)Cc1ccc([C@@H](NC(=O)C(=O)[N-]c2cnns2)C(C)C)cc1 ZINC000191972337 496949624 /nfs/dbraw/zinc/94/96/24/496949624.db2.gz RNEQWNQNHVYBPD-INIZCTEOSA-N -1 3 360.483 3.189 20 0 FGADHM O=S(=O)(C[C@@H]1CCCCO1)[N-]c1ccc(Sc2nncs2)cc1 ZINC000264649966 496953776 /nfs/dbraw/zinc/95/37/76/496953776.db2.gz OSNNFMDAJRUUBT-LBPRGKRZSA-N -1 3 371.509 3.000 20 0 FGADHM O=C(c1cn(-c2cccc(Cl)c2)nn1)N1CCCc2cccc([O-])c21 ZINC000188967892 496962438 /nfs/dbraw/zinc/96/24/38/496962438.db2.gz FCFZDBNVIKAIMJ-UHFFFAOYSA-N -1 3 354.797 3.219 20 0 FGADHM C[C@H](NC(=O)c1cc([O-])ccc1C(F)(F)F)C(=O)Nc1ccccc1 ZINC000188993494 496971278 /nfs/dbraw/zinc/97/12/78/496971278.db2.gz CHDBFPAXYRPRGO-JTQLQIEISA-N -1 3 352.312 3.168 20 0 FGADHM O=C(NCCN1CCc2ccccc2C1)c1cc([O-])ccc1C(F)(F)F ZINC000189026799 496982068 /nfs/dbraw/zinc/98/20/68/496982068.db2.gz FVQCGZSJAAQIHW-UHFFFAOYSA-N -1 3 364.367 3.199 20 0 FGADHM O=C1C[C@H](c2noc(-c3cc4c(cc3[O-])CCCC4)n2)CN1CC1CCC1 ZINC000274007600 496991041 /nfs/dbraw/zinc/99/10/41/496991041.db2.gz RTTIFTKBEKDDTE-INIZCTEOSA-N -1 3 367.449 3.437 20 0 FGADHM Cc1ccccc1COc1cccc(NC(=O)C(=O)[N-]c2cnns2)c1 ZINC000192089185 496991936 /nfs/dbraw/zinc/99/19/36/496991936.db2.gz IPNJQEZXWSOLPS-UHFFFAOYSA-N -1 3 368.418 3.003 20 0 FGADHM O=C(N1CCc2nc[n-]c(=O)c2C1)C1(c2ccc(F)cc2)CCCCC1 ZINC000269718646 496993535 /nfs/dbraw/zinc/99/35/35/496993535.db2.gz WRPIICCIQWGTFT-UHFFFAOYSA-N -1 3 355.413 3.108 20 0 FGADHM O=S(=O)([N-][C@@H]1CCO[C@H](c2ccccc2)C1)c1cc(F)c(F)c(F)c1 ZINC000274141275 497026169 /nfs/dbraw/zinc/02/61/69/497026169.db2.gz CBUGLTBQTXNSLG-WBMJQRKESA-N -1 3 371.380 3.303 20 0 FGADHM CCc1ccc(C(=O)N2CCN(C(=O)c3ccc(Cl)cc3)CC2)c([O-])c1 ZINC000189176015 497033730 /nfs/dbraw/zinc/03/37/30/497033730.db2.gz CMHSOCJRDNKMRH-UHFFFAOYSA-N -1 3 372.852 3.206 20 0 FGADHM Cc1ccc(NC(=O)OC(C)(C)C)cc1[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000269986431 497037418 /nfs/dbraw/zinc/03/74/18/497037418.db2.gz FANFXKBBSWPQMI-CQSZACIVSA-N -1 3 370.471 3.263 20 0 FGADHM COCCN(C(=O)c1cc(NC(C)=O)ccc1[O-])[C@H](C)c1ccccc1 ZINC000270049670 497047781 /nfs/dbraw/zinc/04/77/81/497047781.db2.gz MUTFUKXRSJTCML-CQSZACIVSA-N -1 3 356.422 3.200 20 0 FGADHM C[C@@H]1CN(CCCCNC(=O)c2cc([O-])ccc2C(F)(F)F)C[C@H](C)O1 ZINC000189234362 497054463 /nfs/dbraw/zinc/05/44/63/497054463.db2.gz JTLQLQPNBWBEQS-BETUJISGSA-N -1 3 374.403 3.030 20 0 FGADHM Cc1ccnc(-c2cccc(NC(=O)CCc3c(C)nc(C)[n-]c3=O)c2)n1 ZINC000265242981 497080071 /nfs/dbraw/zinc/08/00/71/497080071.db2.gz XUNGRVBPIWQQDS-UHFFFAOYSA-N -1 3 363.421 3.136 20 0 FGADHM CC(C)(C)OC(=O)[C@@H]1CCCN(C(=O)c2cc(=O)c3ccccc3[n-]2)C1 ZINC000274401709 497089823 /nfs/dbraw/zinc/08/98/23/497089823.db2.gz KNMVHFLKBSKBKF-CYBMUJFWSA-N -1 3 356.422 3.134 20 0 FGADHM CC(C)C[C@@H](NC(=O)c1cc([O-])ccc1Cl)C(=O)Nc1nccs1 ZINC000278423840 497108485 /nfs/dbraw/zinc/10/84/85/497108485.db2.gz RASKDHHBLGLEML-CYBMUJFWSA-N -1 3 367.858 3.285 20 0 FGADHM Cc1nc(C)c(CCC(=O)Nc2cc(Cl)c(F)c(Cl)c2)c(=O)[n-]1 ZINC000192419884 497108989 /nfs/dbraw/zinc/10/89/89/497108989.db2.gz JBCJOOVYQKYNCB-UHFFFAOYSA-N -1 3 358.200 3.404 20 0 FGADHM O=C([N-]c1nnc(C(F)(F)F)s1)c1ccc(OCC(F)(F)F)cn1 ZINC000278469235 497125600 /nfs/dbraw/zinc/12/56/00/497125600.db2.gz WOABYMVGAGXJKH-UHFFFAOYSA-N -1 3 372.250 3.145 20 0 FGADHM CNC(=O)Nc1cccc(NC(=O)c2cc([O-])ccc2C(F)(F)F)c1 ZINC000192479355 497128097 /nfs/dbraw/zinc/12/80/97/497128097.db2.gz DWCPJECBYJRMPU-UHFFFAOYSA-N -1 3 353.300 3.415 20 0 FGADHM CC(C)Cc1nsc(N2CCC(C(=O)Nc3ccccc3[O-])CC2)n1 ZINC000274583932 497128219 /nfs/dbraw/zinc/12/82/19/497128219.db2.gz HWIKJPADRNSDHG-UHFFFAOYSA-N -1 3 360.483 3.297 20 0 FGADHM O=C(Nc1cc(Br)ccc1[O-])c1n[nH]nc1-c1ccccc1 ZINC000189479340 497131093 /nfs/dbraw/zinc/13/10/93/497131093.db2.gz AUMDJTPCOGHWNE-UHFFFAOYSA-N -1 3 359.183 3.192 20 0 FGADHM O=C(CNC(=O)c1c[n-]c2ccccc2c1=O)Nc1ccsc1Cl ZINC000189503784 497141697 /nfs/dbraw/zinc/14/16/97/497141697.db2.gz BOMFAHJMGBHNAJ-UHFFFAOYSA-N -1 3 361.810 3.024 20 0 FGADHM O=C([O-])c1ccccc1OCCN1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000248982684 497144263 /nfs/dbraw/zinc/14/42/63/497144263.db2.gz JFAMJOJSEZEURD-GOEBONIOSA-N -1 3 361.463 3.413 20 0 FGADHM Cc1ccc(NC(=O)Nc2ccccc2)cc1NC([O-])=NOCC(C)(C)O ZINC000278528936 497144286 /nfs/dbraw/zinc/14/42/86/497144286.db2.gz DSIOJKMAPKZSHH-UHFFFAOYSA-N -1 3 372.425 3.463 20 0 FGADHM Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)[N-]OCC(C)(C)O ZINC000278528936 497144290 /nfs/dbraw/zinc/14/42/90/497144290.db2.gz DSIOJKMAPKZSHH-UHFFFAOYSA-N -1 3 372.425 3.463 20 0 FGADHM C[C@@H](Oc1cccc2ccccc21)C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000192542445 497145135 /nfs/dbraw/zinc/14/51/35/497145135.db2.gz GFARPQLGTYBMEX-CQSZACIVSA-N -1 3 373.416 3.104 20 0 FGADHM C[C@@H](Oc1cccc2ccccc21)C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000192542445 497145141 /nfs/dbraw/zinc/14/51/41/497145141.db2.gz GFARPQLGTYBMEX-CQSZACIVSA-N -1 3 373.416 3.104 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N(C)CC3(O)CCCCCC3)c[n-]c12 ZINC000189540035 497156364 /nfs/dbraw/zinc/15/63/64/497156364.db2.gz MUZCESZODVVGNG-UHFFFAOYSA-N -1 3 360.429 3.133 20 0 FGADHM Cc1ccc(CS(=O)(=O)[N-][C@@H](c2ccccc2)[C@@H]2CCCO2)c(F)c1 ZINC000192585672 497156477 /nfs/dbraw/zinc/15/64/77/497156477.db2.gz WCJIOZABUOHDLJ-OALUTQOASA-N -1 3 363.454 3.474 20 0 FGADHM CC[C@@H]1[C@@H](C)CCN1C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000274768552 497160978 /nfs/dbraw/zinc/16/09/78/497160978.db2.gz QTBGNPRHUNYSBS-SWLSCSKDSA-N -1 3 369.487 3.109 20 0 FGADHM Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)CCc3c(C)nc(C)[n-]c3=O)C2)cc1 ZINC000278602285 497163664 /nfs/dbraw/zinc/16/36/64/497163664.db2.gz CICSCGIVQKIXIO-RDTXWAMCSA-N -1 3 353.466 3.445 20 0 FGADHM CC[C@H]1[C@@H](C)CCN1C(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000274791824 497166088 /nfs/dbraw/zinc/16/60/88/497166088.db2.gz MNZHCTALNUEOSA-GUYCJALGSA-N -1 3 354.454 3.132 20 0 FGADHM Cc1csc([C@@H](C)[N-]S(=O)(=O)c2cccc3c2OC(C)(C)C3)n1 ZINC000192623529 497166972 /nfs/dbraw/zinc/16/69/72/497166972.db2.gz RBXNIELIUKKOSI-LLVKDONJSA-N -1 3 352.481 3.205 20 0 FGADHM CCCCNC(=O)C1CCN(C(=O)c2cc([O-])ccc2C(F)(F)F)CC1 ZINC000192657729 497177911 /nfs/dbraw/zinc/17/79/11/497177911.db2.gz QUPIKESPNBGBNB-UHFFFAOYSA-N -1 3 372.387 3.180 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000265811188 497186165 /nfs/dbraw/zinc/18/61/65/497186165.db2.gz OYZDTLPLJDQSNJ-UHFFFAOYSA-N -1 3 368.412 3.497 20 0 FGADHM O=S(=O)([N-][C@@H]1CCC[C@@H](F)C1)c1ccc(F)c(Br)c1 ZINC000581009317 505890024 /nfs/dbraw/zinc/89/00/24/505890024.db2.gz UDWLIONOTVQHSY-RKDXNWHRSA-N -1 3 354.216 3.147 20 0 FGADHM CSc1ccc(C)c(NC(=O)NCCCNC(=O)c2cccc([O-])c2)c1 ZINC000274896703 497194110 /nfs/dbraw/zinc/19/41/10/497194110.db2.gz RCXMWAZSFGPJPE-UHFFFAOYSA-N -1 3 373.478 3.364 20 0 FGADHM CC[C@H]1Oc2cc([C@@H](C)N[C@@H](C)c3nc(C)cc(=O)[n-]3)ccc2NC1=O ZINC000192738442 497199736 /nfs/dbraw/zinc/19/97/36/497199736.db2.gz OUHPKSTXLMFMNI-TYNCELHUSA-N -1 3 356.426 3.012 20 0 FGADHM CC(C)C(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(N(C)C)cc2)c1 ZINC000278747663 497207881 /nfs/dbraw/zinc/20/78/81/497207881.db2.gz QSVLKHRWFDKUOZ-UHFFFAOYSA-N -1 3 361.467 3.148 20 0 FGADHM Cc1nc(C)c(CCC(=O)N[C@@H](C)c2nc(C(F)(F)F)cs2)c(=O)[n-]1 ZINC000278762451 497212793 /nfs/dbraw/zinc/21/27/93/497212793.db2.gz OBUWMMAKZFLMCQ-QMMMGPOBSA-N -1 3 374.388 3.084 20 0 FGADHM C[C@H](C(=O)[O-])N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000237464549 497241322 /nfs/dbraw/zinc/24/13/22/497241322.db2.gz RVCRWYFJNDBGNZ-CQSZACIVSA-N -1 3 360.404 3.145 20 0 FGADHM COc1cc(C)cc(C(=O)N2CC3(CCOCC3)c3ccccc32)c1[O-] ZINC000189801109 497249950 /nfs/dbraw/zinc/24/99/50/497249950.db2.gz QQMZUHLOLAOVKZ-UHFFFAOYSA-N -1 3 353.418 3.418 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]C2CCSCC2)c(Cl)c1Cl ZINC000266136616 497264084 /nfs/dbraw/zinc/26/40/84/497264084.db2.gz GWDSBYINKOGTHO-UHFFFAOYSA-N -1 3 356.296 3.176 20 0 FGADHM COc1nnc(NC(=O)c2c(C)onc2-c2ccc(C(F)(F)F)cc2)[n-]1 ZINC000189931795 497296612 /nfs/dbraw/zinc/29/66/12/497296612.db2.gz LIHVVIIAQHTXRL-UHFFFAOYSA-N -1 3 367.287 3.048 20 0 FGADHM COc1n[n-]c(NC(=O)c2c(C)onc2-c2ccc(C(F)(F)F)cc2)n1 ZINC000189931795 497296614 /nfs/dbraw/zinc/29/66/14/497296614.db2.gz LIHVVIIAQHTXRL-UHFFFAOYSA-N -1 3 367.287 3.048 20 0 FGADHM COc1nc(NC(=O)c2c(C)onc2-c2ccc(C(F)(F)F)cc2)n[n-]1 ZINC000189931795 497296615 /nfs/dbraw/zinc/29/66/15/497296615.db2.gz LIHVVIIAQHTXRL-UHFFFAOYSA-N -1 3 367.287 3.048 20 0 FGADHM CCc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3ccc(C)cn3)C2)c([O-])c1 ZINC000189953001 497304619 /nfs/dbraw/zinc/30/46/19/497304619.db2.gz BVCNQTJFVFESSS-INIZCTEOSA-N -1 3 367.449 3.149 20 0 FGADHM CCCc1nc(=NC(=O)NCc2ccccc2CN2CCCCC2)s[n-]1 ZINC000569292618 505898318 /nfs/dbraw/zinc/89/83/18/505898318.db2.gz UVRKPIPTMYUPKY-UHFFFAOYSA-N -1 3 373.526 3.220 20 0 FGADHM COc1cc(C)cc(C(=O)N2CCCc3c(NC(C)=O)cccc32)c1[O-] ZINC000271333103 497323093 /nfs/dbraw/zinc/32/30/93/497323093.db2.gz ZYIAHSDMCZWNSJ-UHFFFAOYSA-N -1 3 354.406 3.261 20 0 FGADHM C[C@@H]1[C@H](C)[S@](=O)CCN1C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000271412453 497341424 /nfs/dbraw/zinc/34/14/24/497341424.db2.gz PUZNPNUXGVNKCW-PJGQNWHFSA-N -1 3 359.447 3.166 20 0 FGADHM CCc1ccc([O-])c(C(=O)Nc2ccc(Cc3nnc4n3CCC4)cc2)c1 ZINC000190068414 497345315 /nfs/dbraw/zinc/34/53/15/497345315.db2.gz HAHVPGMXSBMINQ-UHFFFAOYSA-N -1 3 362.433 3.335 20 0 FGADHM CC(C)c1ccc(C(=O)N2CCC[C@H]2CC(=O)c2cnn(C)c2)c([O-])c1 ZINC000271464996 497355742 /nfs/dbraw/zinc/35/57/42/497355742.db2.gz UEJIWSXNZZFGJY-INIZCTEOSA-N -1 3 355.438 3.127 20 0 FGADHM COC[C@@H](NC(=O)c1cc(OC)c([O-])c(OC)c1)c1ccc(Cl)cc1 ZINC000279223107 497372926 /nfs/dbraw/zinc/37/29/26/497372926.db2.gz PTKNMAMAQHCFEZ-CQSZACIVSA-N -1 3 365.813 3.180 20 0 FGADHM Cc1cc(NC(=O)c2ccc3n[n-]nc3c2)ccc1NC(=O)c1ccco1 ZINC000193446508 497382227 /nfs/dbraw/zinc/38/22/27/497382227.db2.gz DRZDQSJUFIFWIH-UHFFFAOYSA-N -1 3 361.361 3.364 20 0 FGADHM Cc1noc(C2CC2)c1[N-]C(=O)c1nnn(Cc2ccc(F)cc2F)c1C ZINC000190176873 497387495 /nfs/dbraw/zinc/38/74/95/497387495.db2.gz DOXOKIZPWQVCDC-UHFFFAOYSA-N -1 3 373.363 3.339 20 0 FGADHM C[C@H](CCNC(=O)Nc1ccc(C[C@@H]2NC(=O)[N-]C2=O)cc1)CC(C)(C)C ZINC000190187318 497391745 /nfs/dbraw/zinc/39/17/45/497391745.db2.gz MYFJTURNIYGPGW-CJNGLKHVSA-N -1 3 374.485 3.021 20 0 FGADHM C[C@@H](CCNC(=O)Nc1ccc(C[C@@H]2NC(=O)[N-]C2=O)cc1)CC(C)(C)C ZINC000190187297 497391912 /nfs/dbraw/zinc/39/19/12/497391912.db2.gz MYFJTURNIYGPGW-BBRMVZONSA-N -1 3 374.485 3.021 20 0 FGADHM CCN(C(=O)CSc1ncc(C(=O)OC)[n-]1)[C@H](C)c1ccc(F)cc1 ZINC000193550629 497411344 /nfs/dbraw/zinc/41/13/44/497411344.db2.gz BQEBLMHEUWUQIF-LLVKDONJSA-N -1 3 365.430 3.037 20 0 FGADHM [O-]C(=NOC1CCCC1)Nc1cc(Br)cnc1-n1cccn1 ZINC000275824512 497440503 /nfs/dbraw/zinc/44/05/03/497440503.db2.gz XMAWJAHZWKSIBW-UHFFFAOYSA-N -1 3 366.219 3.026 20 0 FGADHM O=C([N-]OC1CCCC1)Nc1cc(Br)cnc1-n1cccn1 ZINC000275824512 497440507 /nfs/dbraw/zinc/44/05/07/497440507.db2.gz XMAWJAHZWKSIBW-UHFFFAOYSA-N -1 3 366.219 3.026 20 0 FGADHM O=S(=O)([N-][C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1c(Cl)cccc1Cl ZINC000245538062 497443859 /nfs/dbraw/zinc/44/38/59/497443859.db2.gz JBHZAUQINCZPHB-OWYVNGRQSA-N -1 3 362.278 3.229 20 0 FGADHM COCCOC[C@@H]1CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC000267020647 497470174 /nfs/dbraw/zinc/47/01/74/497470174.db2.gz QSAPVDCQNUAJRE-MRXNPFEDSA-N -1 3 371.433 3.310 20 0 FGADHM COc1ccc(N[C@@H]2CCc3c2cccc3F)cc1[N-]S(C)(=O)=O ZINC000267027570 497472314 /nfs/dbraw/zinc/47/23/14/497472314.db2.gz KUMCFOUVEGJTPZ-OAHLLOKOSA-N -1 3 350.415 3.305 20 0 FGADHM COc1cc(-c2noc([C@@H](C)CN(C)C(=O)OC(C)(C)C)n2)ccc1[O-] ZINC000267085259 497482780 /nfs/dbraw/zinc/48/27/80/497482780.db2.gz QWSZRCGHSLNHMR-NSHDSACASA-N -1 3 363.414 3.421 20 0 FGADHM C[C@@H]1CCCc2nc(S(=O)(=O)[N-]Cc3ccccc3C(F)(F)F)cn21 ZINC000569331881 505909708 /nfs/dbraw/zinc/90/97/08/505909708.db2.gz DWSUVXJAQSEUCY-LLVKDONJSA-N -1 3 373.400 3.278 20 0 FGADHM C[C@H]1OCC[C@@]12CN(C(=O)c1cc(Cc3ccccc3)ccc1[O-])CCO2 ZINC000279625253 497489959 /nfs/dbraw/zinc/48/99/59/497489959.db2.gz CVLIAMZCSVPDEI-OPAMFIHVSA-N -1 3 367.445 3.003 20 0 FGADHM COC(CCCC(C)(C)CNC(=O)c1cc(=O)c2ccccc2[n-]1)OC ZINC000279649575 497497389 /nfs/dbraw/zinc/49/73/89/497497389.db2.gz DKJACHFUUKANBA-UHFFFAOYSA-N -1 3 360.454 3.486 20 0 FGADHM CC(C)CN(C(=O)c1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1)c1ccccc1 ZINC000267200053 497501451 /nfs/dbraw/zinc/50/14/51/497501451.db2.gz DUKOOIKAGRVHHQ-OAQYLSRUSA-N -1 3 365.433 3.044 20 0 FGADHM O=C(c1c[n-]c2ccccc2c1=O)N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000267434663 497552236 /nfs/dbraw/zinc/55/22/36/497552236.db2.gz VYLFYCBZJUXXHB-INIZCTEOSA-N -1 3 370.449 3.131 20 0 FGADHM CCCCOc1ccc(C(=O)N2CC[C@H](C)[C@@H](n3ccnc3)C2)c([O-])c1 ZINC000190634113 497553612 /nfs/dbraw/zinc/55/36/12/497553612.db2.gz XLGDLIOURVUFNV-YJBOKZPZSA-N -1 3 357.454 3.491 20 0 FGADHM CC(C)(C)Oc1ccc(CNC(=O)c2cc(=O)c3ccccc3[n-]2)cn1 ZINC000272243570 497574397 /nfs/dbraw/zinc/57/43/97/497574397.db2.gz HBVLISSQABBLOR-UHFFFAOYSA-N -1 3 351.406 3.443 20 0 FGADHM Cc1cc(C(=O)N2CCC(NC(=O)Oc3ccccc3)CC2)ccc1[O-] ZINC000272344939 497602750 /nfs/dbraw/zinc/60/27/50/497602750.db2.gz ACCLICCEUJCTEO-UHFFFAOYSA-N -1 3 354.406 3.094 20 0 FGADHM CCC1CCC(NC(=O)c2cc(=O)c3ccccc3[n-]2)(C(=O)OC)CC1 ZINC000267701968 497603044 /nfs/dbraw/zinc/60/30/44/497603044.db2.gz QFCNNBAXPMFIDK-UHFFFAOYSA-N -1 3 356.422 3.182 20 0 FGADHM Cc1cccc([O-])c1NC(=O)CN(C[C@H]1CCCO1)C(=O)OC(C)(C)C ZINC000272405527 497618867 /nfs/dbraw/zinc/61/88/67/497618867.db2.gz FCVKQUFLZPRKHC-CQSZACIVSA-N -1 3 364.442 3.055 20 0 FGADHM CC(=O)N(CC(=O)[O-])[C@@H]1CCCN([C@@H](C)c2cccc(Cl)c2)CC1 ZINC000262787982 497621922 /nfs/dbraw/zinc/62/19/22/497621922.db2.gz MTCXHCNVZDUQNB-SUMWQHHRSA-N -1 3 352.862 3.189 20 0 FGADHM CCc1ccc([C@@H]2CN(C(=O)c3cc(NC(C)=O)ccc3[O-])CCO2)cc1 ZINC000276704171 497632445 /nfs/dbraw/zinc/63/24/45/497632445.db2.gz AYZPMRIRUIEBKG-FQEVSTJZSA-N -1 3 368.433 3.127 20 0 FGADHM CCOC(=O)c1ccsc1[N-]C(=O)C(=O)N([C@H](C)[C@@H](C)CC)C1CC1 ZINC000190909179 497642352 /nfs/dbraw/zinc/64/23/52/497642352.db2.gz FPFCPSPIXZZMAV-NWDGAFQWSA-N -1 3 366.483 3.289 20 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Cn1c2cc([O-])c(NC(=O)c3ccccc3C(C)(C)C)cc2n(C)c1=O ZINC000332727787 498776185 /nfs/dbraw/zinc/77/61/85/498776185.db2.gz YVNWBMPXMOBZNB-UHFFFAOYSA-N -1 3 353.422 3.132 20 0 FGADHM CC(C)c1nc(C(=O)[N-]c2ncnn2C(C)(C)C)nn1-c1ccccc1F ZINC000283112321 498783394 /nfs/dbraw/zinc/78/33/94/498783394.db2.gz UOHCMMBTDDEXAE-UHFFFAOYSA-N -1 3 371.420 3.129 20 0 FGADHM CC[C@@H](NC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-])[C@H]1CC1(C)C ZINC000579095056 506093033 /nfs/dbraw/zinc/09/30/33/506093033.db2.gz SZZSZSMVHISYNL-HZPDHXFCSA-N -1 3 371.437 3.495 20 0 FGADHM Cc1noc([C@@H]2CCCCN2C(=O)c2c[n-]c3c(C)cc(C)cc3c2=O)n1 ZINC000332836508 498809326 /nfs/dbraw/zinc/80/93/26/498809326.db2.gz LBUNLEJECXESTP-INIZCTEOSA-N -1 3 366.421 3.204 20 0 FGADHM Cc1onc(-c2cccnc2)c1C(=O)[N-]c1ncn(C2CCCCC2)n1 ZINC000287653265 498826453 /nfs/dbraw/zinc/82/64/53/498826453.db2.gz CVGODLVDEMLCHH-UHFFFAOYSA-N -1 3 352.398 3.394 20 0 FGADHM O=S(=O)([N-]C(C1CCC1)C1CCC1)c1cncc(Br)c1 ZINC000325068696 498832392 /nfs/dbraw/zinc/83/23/92/498832392.db2.gz VBAKQLFNDIVSJQ-UHFFFAOYSA-N -1 3 359.289 3.091 20 0 FGADHM CC(C)[C@@H]([N-]S(=O)(=O)C[C@H](C)c1ccccc1)C(=O)OC(C)(C)C ZINC000325585419 498837811 /nfs/dbraw/zinc/83/78/11/498837811.db2.gz DRDWEGALMSOFJQ-GOEBONIOSA-N -1 3 355.500 3.076 20 0 FGADHM COc1cccc2c(C(=O)Nc3ccc(OCC(F)(F)F)nc3)[n-]nc21 ZINC000573013546 506099105 /nfs/dbraw/zinc/09/91/05/506099105.db2.gz QTPAWXGLSFNJHG-UHFFFAOYSA-N -1 3 366.299 3.160 20 0 FGADHM COc1cccc2c(C(=O)Nc3ccc(OCC(F)(F)F)nc3)n[n-]c21 ZINC000573013546 506099109 /nfs/dbraw/zinc/09/91/09/506099109.db2.gz QTPAWXGLSFNJHG-UHFFFAOYSA-N -1 3 366.299 3.160 20 0 FGADHM CN(C)C(=O)Nc1ccccc1[N-]S(=O)(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000570144355 506100947 /nfs/dbraw/zinc/10/09/47/506100947.db2.gz TZPVNEZEUQWKAJ-WMLDXEAASA-N -1 3 359.451 3.078 20 0 FGADHM O=C(COc1ccc(N2CCCC2=O)cc1)Nc1c([O-])cccc1Cl ZINC000573022373 506101309 /nfs/dbraw/zinc/10/13/09/506101309.db2.gz CPAOWJNXBQWELT-UHFFFAOYSA-N -1 3 360.797 3.190 20 0 FGADHM 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O=C(Nc1n[n-]c(-c2ccccc2F)n1)[C@H]1COc2ccc(Cl)cc2C1 ZINC000598914656 506223776 /nfs/dbraw/zinc/22/37/76/506223776.db2.gz AXMPUMFFHZVGBC-LLVKDONJSA-N -1 3 372.787 3.454 20 0 FGADHM CC(C)CC(C)(C)C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000439771855 500936462 /nfs/dbraw/zinc/93/64/62/500936462.db2.gz SAWGLBJBQQTGGB-UHFFFAOYSA-N -1 3 356.463 3.277 20 0 FGADHM CCc1cccc(S(=O)(=O)[N-]c2ccc(C)cc2OCCN(C)C)c1 ZINC000435192796 500942923 /nfs/dbraw/zinc/94/29/23/500942923.db2.gz SACFEGJTYSDSEP-UHFFFAOYSA-N -1 3 362.495 3.299 20 0 FGADHM O=S(=O)([N-][C@@H]1[C@@H]2CCc3ccccc3[C@@H]21)c1cc(F)c(F)c(F)c1 ZINC000435217766 500944941 /nfs/dbraw/zinc/94/49/41/500944941.db2.gz SVEHVSCVBNFWIL-ISTRZQFTSA-N -1 3 353.365 3.111 20 0 FGADHM C[C@H]1COCC[C@H]1C(=O)Nc1n[n-]c(-c2cc(Cl)ccc2Cl)n1 ZINC000445211201 500954863 /nfs/dbraw/zinc/95/48/63/500954863.db2.gz JPOLNWQFNHGHPU-WCBMZHEXSA-N -1 3 355.225 3.390 20 0 FGADHM COc1ccc(NC(=O)Cc2noc(/C=C/c3cccc([O-])c3)n2)cc1 ZINC000445277681 500964731 /nfs/dbraw/zinc/96/47/31/500964731.db2.gz FHNRQNUKDZUYJN-BJMVGYQFSA-N -1 3 351.362 3.135 20 0 FGADHM CCOc1cc(-c2noc(Cc3ccc(OC)c(OC)c3)n2)ccc1[O-] ZINC000445427450 500983838 /nfs/dbraw/zinc/98/38/38/500983838.db2.gz PFMSTUKBWSTRRZ-UHFFFAOYSA-N -1 3 356.378 3.449 20 0 FGADHM CCOc1cc(-c2noc(C[C@H](NC(C)=O)c3ccccc3)n2)ccc1[O-] ZINC000445427875 500983958 /nfs/dbraw/zinc/98/39/58/500983958.db2.gz SOIQFRRICAVWGQ-INIZCTEOSA-N -1 3 367.405 3.261 20 0 FGADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N[C@@H](C1CCCCC1)C(F)(F)F ZINC000440332654 500997815 /nfs/dbraw/zinc/99/78/15/500997815.db2.gz RMMXXAWPUKGZJL-ZDUSSCGKSA-N -1 3 369.343 3.203 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2CCCO[C@@H]2C(C)(C)C)c(F)cc1F ZINC000440379500 501001690 /nfs/dbraw/zinc/00/16/90/501001690.db2.gz CRESUINODHLQEV-LRDDRELGSA-N -1 3 361.454 3.393 20 0 FGADHM O=S(=O)([N-]C1CCN(C2CC2)CC1)c1c(Cl)ccc2ccccc21 ZINC000440385832 501003156 /nfs/dbraw/zinc/00/31/56/501003156.db2.gz XZMCLYPWESAAHS-UHFFFAOYSA-N -1 3 364.898 3.398 20 0 FGADHM COc1ccc([O-])c(C(=O)Nc2nc3cc(Br)ccc3[nH]2)c1 ZINC000440398270 501005111 /nfs/dbraw/zinc/00/51/11/501005111.db2.gz KMLANBQFUCIABB-UHFFFAOYSA-N -1 3 362.183 3.292 20 0 FGADHM COc1ccc([O-])c(C(=O)Nc2nc3ccc(Br)cc3[nH]2)c1 ZINC000440398270 501005115 /nfs/dbraw/zinc/00/51/15/501005115.db2.gz KMLANBQFUCIABB-UHFFFAOYSA-N -1 3 362.183 3.292 20 0 FGADHM CCOC(=O)CCC[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000440400775 501005214 /nfs/dbraw/zinc/00/52/14/501005214.db2.gz YHHKDPSRFLELQN-UHFFFAOYSA-N -1 3 355.843 3.115 20 0 FGADHM CCc1c(C(=O)N=c2cc(-c3ccccc3)[n-][nH]2)cnn1-c1ccccc1 ZINC000435678739 501009867 /nfs/dbraw/zinc/00/98/67/501009867.db2.gz RUCKUDWZTKPVMY-UHFFFAOYSA-N -1 3 357.417 3.499 20 0 FGADHM Cn1ccnc1-c1cc(NC(=O)c2ccc(OCC(F)(F)F)cc2)n[n-]1 ZINC000435712163 501016213 /nfs/dbraw/zinc/01/62/13/501016213.db2.gz YALGEULHXMWSFT-UHFFFAOYSA-N -1 3 365.315 3.004 20 0 FGADHM Cn1ccnc1-c1cc(NC(=O)c2ccc(OCC(F)(F)F)cc2)[n-]n1 ZINC000435712163 501016215 /nfs/dbraw/zinc/01/62/15/501016215.db2.gz YALGEULHXMWSFT-UHFFFAOYSA-N -1 3 365.315 3.004 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)c2cccc3cc[nH]c32)c1-c1ccc2c(c1)OCCO2 ZINC000435713525 501016233 /nfs/dbraw/zinc/01/62/33/501016233.db2.gz KYCDSAKFJXKXGX-UHFFFAOYSA-N -1 3 374.400 3.312 20 0 FGADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)C1CC(F)(F)C1 ZINC000440555652 501022856 /nfs/dbraw/zinc/02/28/56/501022856.db2.gz GGNLCQWFNQQXKL-UHFFFAOYSA-N -1 3 372.315 3.061 20 0 FGADHM O=S(=O)([N-]Cc1ccc(COCc2ccccc2)cc1)c1ccco1 ZINC000445710871 501023285 /nfs/dbraw/zinc/02/32/85/501023285.db2.gz AOKKSIMJEPSNQE-UHFFFAOYSA-N -1 3 357.431 3.475 20 0 FGADHM CCC(CC)(CNC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)c1ccccc1 ZINC000440742210 501044659 /nfs/dbraw/zinc/04/46/59/501044659.db2.gz SXBGBTXNSIGVBZ-UHFFFAOYSA-N -1 3 365.433 3.450 20 0 FGADHM O=c1[nH]c(CC(F)(F)F)c([O-])n1-c1cccc(Oc2ccccn2)c1 ZINC000445961655 501055842 /nfs/dbraw/zinc/05/58/42/501055842.db2.gz JTMYUWWVNCYTTM-LBPRGKRZSA-N -1 3 351.284 3.251 20 0 FGADHM CC1=C[C@H](C)CN(C(=O)c2c[n-]c3ccc(Br)cc3c2=O)C1 ZINC000436006736 501056229 /nfs/dbraw/zinc/05/62/29/501056229.db2.gz KYWPOVXJZQQKOK-JTQLQIEISA-N -1 3 361.239 3.329 20 0 FGADHM COC(=O)c1cc([N-]S(=O)(=O)c2ccccc2SC)c(F)cc1F ZINC000436016298 501057191 /nfs/dbraw/zinc/05/71/91/501057191.db2.gz ZXIOVOJTGIJCLC-UHFFFAOYSA-N -1 3 373.402 3.274 20 0 FGADHM COc1ccc(CNc2cccc(CCO)c2)c(Br)c1[O-] ZINC000449754856 501076763 /nfs/dbraw/zinc/07/67/63/501076763.db2.gz MNRYQRNPEWESLM-UHFFFAOYSA-N -1 3 352.228 3.310 20 0 FGADHM Cc1ncc(CNC(=O)N[C@@H]2CC(C)(C)CCc3ccccc32)c(=O)[n-]1 ZINC000441026858 501076882 /nfs/dbraw/zinc/07/68/82/501076882.db2.gz BWKOYCRDCIFMQD-QGZVFWFLSA-N -1 3 354.454 3.394 20 0 FGADHM COC[C@@H]([N-]S(=O)(=O)c1cc(OC)ccc1Cl)c1ccc(F)cc1 ZINC000436187938 501086167 /nfs/dbraw/zinc/08/61/67/501086167.db2.gz ZRUOITYHSREOEN-OAHLLOKOSA-N -1 3 373.833 3.154 20 0 FGADHM CC(C)c1n[n-]c(=NCCCOC2CCN(Cc3ccccc3)CC2)o1 ZINC000450367769 501102173 /nfs/dbraw/zinc/10/21/73/501102173.db2.gz DCULYDVRCPEOJM-UHFFFAOYSA-N -1 3 358.486 3.098 20 0 FGADHM C[C@H](NC(=O)CNC(=O)c1cccc([O-])c1)c1ccc(Cl)cc1Cl ZINC000446372851 501111915 /nfs/dbraw/zinc/11/19/15/501111915.db2.gz MKLKSQYCBHRGJO-JTQLQIEISA-N -1 3 367.232 3.306 20 0 FGADHM CCOc1nc2cc(C(=O)NC[C@@H]3CCO[C@H]3c3ccccc3)ccc2[n-]1 ZINC000449938394 501131396 /nfs/dbraw/zinc/13/13/96/501131396.db2.gz JJFYXAUTMWZNGN-LPHOPBHVSA-N -1 3 365.433 3.469 20 0 FGADHM CCOc1nc2ccc(C(=O)NC[C@@H]3CCO[C@H]3c3ccccc3)cc2[n-]1 ZINC000449938394 501131398 /nfs/dbraw/zinc/13/13/98/501131398.db2.gz JJFYXAUTMWZNGN-LPHOPBHVSA-N -1 3 365.433 3.469 20 0 FGADHM CC(C)(C)c1nc2cc([N-]S(=O)(=O)c3c[nH]c(=O)s3)ccc2o1 ZINC000436476457 501134804 /nfs/dbraw/zinc/13/48/04/501134804.db2.gz FSOIAGLABAXDLX-UHFFFAOYSA-N -1 3 353.425 3.088 20 0 FGADHM C=Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)cc2C)cc1 ZINC000436478942 501135163 /nfs/dbraw/zinc/13/51/63/501135163.db2.gz OQOKGAUTDXKQND-UHFFFAOYSA-N -1 3 358.463 3.275 20 0 FGADHM C[C@H](CS(=O)(=O)[N-]c1cc(-c2nc[nH]n2)ccc1F)c1ccccc1 ZINC000436479647 501135333 /nfs/dbraw/zinc/13/53/33/501135333.db2.gz VHCNEPZMXXYCQL-GFCCVEGCSA-N -1 3 360.414 3.156 20 0 FGADHM Cc1cccc(C(=O)Nc2ccc(I)c(C)n2)c1[O-] ZINC000436495641 501139294 /nfs/dbraw/zinc/13/92/94/501139294.db2.gz NZVYSNWLEMPNHC-UHFFFAOYSA-N -1 3 368.174 3.261 20 0 FGADHM O=C(NC1CCN(c2nccs2)CC1)c1ccc2c(c1[O-])CCCC2 ZINC000436508429 501142871 /nfs/dbraw/zinc/14/28/71/501142871.db2.gz ASJMHDUQZYSHPE-UHFFFAOYSA-N -1 3 357.479 3.126 20 0 FGADHM O=C(Nc1ccc(=O)n(Cc2ccccc2Cl)c1)c1ccc(O)cc1[O-] ZINC000436518738 501146296 /nfs/dbraw/zinc/14/62/96/501146296.db2.gz ZIGJCIPYQLJIHF-UHFFFAOYSA-N -1 3 370.792 3.214 20 0 FGADHM CCCN(C(=O)c1ccc(O)cc1[O-])[C@@H](C)CC(=O)Nc1ccccc1 ZINC000436519118 501146340 /nfs/dbraw/zinc/14/63/40/501146340.db2.gz VCPDVQQUUCXQMK-AWEZNQCLSA-N -1 3 356.422 3.367 20 0 FGADHM CCOc1nc2cc(C(=O)N[C@@H]3CCCC[C@H]3n3cccn3)ccc2[n-]1 ZINC000450016372 501154719 /nfs/dbraw/zinc/15/47/19/501154719.db2.gz KHPBSDDDHXANEL-NVXWUHKLSA-N -1 3 353.426 3.072 20 0 FGADHM CCOc1nc2ccc(C(=O)N[C@@H]3CCCC[C@H]3n3cccn3)cc2[n-]1 ZINC000450016372 501154721 /nfs/dbraw/zinc/15/47/21/501154721.db2.gz KHPBSDDDHXANEL-NVXWUHKLSA-N -1 3 353.426 3.072 20 0 FGADHM CCCc1ccc([C@@H](C)N(CC(N)=O)C(=O)c2ccc(C)cc2[O-])cc1 ZINC000436551076 501155233 /nfs/dbraw/zinc/15/52/33/501155233.db2.gz WSZOILCNKFQKPP-OAHLLOKOSA-N -1 3 354.450 3.342 20 0 FGADHM CC(C)c1ccc(C(=O)N(C)[C@@H]2CCN(c3ccccc3)C2=O)c([O-])c1 ZINC000436551962 501155249 /nfs/dbraw/zinc/15/52/49/501155249.db2.gz ANMBJPSGYCMRRV-GOSISDBHSA-N -1 3 352.434 3.393 20 0 FGADHM COCCCN(CCOC)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436556221 501155990 /nfs/dbraw/zinc/15/59/90/501155990.db2.gz NFPVEZKVEPUSPS-UHFFFAOYSA-N -1 3 359.422 3.310 20 0 FGADHM COc1cc(-c2noc(-c3cn(-c4ccc(F)cc4C)nn3)n2)ccc1[O-] ZINC000436561432 501157080 /nfs/dbraw/zinc/15/70/80/501157080.db2.gz CDNQPBDDBLIPHG-UHFFFAOYSA-N -1 3 367.340 3.146 20 0 FGADHM CCOC(=O)Cc1csc(NC(=O)c2cc3c(cc2[O-])CCCC3)n1 ZINC000436561091 501157151 /nfs/dbraw/zinc/15/71/51/501157151.db2.gz HTAZYOXHNDFKSM-UHFFFAOYSA-N -1 3 360.435 3.085 20 0 FGADHM Cc1ccc(C(=O)N2CSC[C@@H]2C(=O)N[C@H](C)CCC(C)C)c([O-])c1 ZINC000436564673 501158044 /nfs/dbraw/zinc/15/80/44/501158044.db2.gz RAMBZKMYTQZUCY-GDBMZVCRSA-N -1 3 364.511 3.157 20 0 FGADHM Cc1ccc(C(=O)Nc2ccc3ccn(CC(=O)N(C)C)c3c2)c([O-])c1C ZINC000436571996 501159322 /nfs/dbraw/zinc/15/93/22/501159322.db2.gz DXGWVCLQHHVDNB-UHFFFAOYSA-N -1 3 365.433 3.304 20 0 FGADHM Cc1ccc(C(=O)N[C@@H](C)c2nc(Cc3ccccc3)no2)c([O-])c1C ZINC000436581248 501161908 /nfs/dbraw/zinc/16/19/08/501161908.db2.gz AHOZGHQSZSBLHG-AWEZNQCLSA-N -1 3 351.406 3.474 20 0 FGADHM CC[C@@H]1CN(C(=O)c2cc3c(cc2[O-])CCCC3)[C@@H](CC)CN1C(C)=O ZINC000436585514 501162845 /nfs/dbraw/zinc/16/28/45/501162845.db2.gz JWJHKUOCBYYEJO-MSOLQXFVSA-N -1 3 358.482 3.133 20 0 FGADHM COc1cc(CN(C)C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)ccc1O ZINC000436584605 501163316 /nfs/dbraw/zinc/16/33/16/501163316.db2.gz JKXLSKYGBDJGBV-UHFFFAOYSA-N -1 3 357.406 3.092 20 0 FGADHM CCc1ccc(C(=O)N2CCN(c3cncc4ccccc43)CC2)c([O-])c1 ZINC000436593344 501166059 /nfs/dbraw/zinc/16/60/59/501166059.db2.gz DKDYYOWJGAYFTD-UHFFFAOYSA-N -1 3 361.445 3.465 20 0 FGADHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1CC[C@@H]1c1ccccc1 ZINC000441711435 501166629 /nfs/dbraw/zinc/16/66/29/501166629.db2.gz BROJEAZBGFQHGU-CQSZACIVSA-N -1 3 372.446 3.145 20 0 FGADHM CC[C@@H](C)n1ncc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])c1C ZINC000436596694 501166753 /nfs/dbraw/zinc/16/67/53/501166753.db2.gz ROBYFDCABYQXNV-DYVFJYSZSA-N -1 3 370.453 3.111 20 0 FGADHM CCOC(=O)c1ccsc1[N-]C(=O)C(=O)N(C)C1CCC(CC)CC1 ZINC000446819695 501168047 /nfs/dbraw/zinc/16/80/47/501168047.db2.gz VARWQGYPIKTPPZ-UHFFFAOYSA-N -1 3 366.483 3.291 20 0 FGADHM [O-]c1ccc(-c2noc(-c3cncc(-n4ccnn4)c3)n2)c2ccccc12 ZINC000436613803 501170061 /nfs/dbraw/zinc/17/00/61/501170061.db2.gz SHXYYWSXPAIXOD-UHFFFAOYSA-N -1 3 356.345 3.238 20 0 FGADHM CC[C@H](C)NC(=O)CCNC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436617011 501170707 /nfs/dbraw/zinc/17/07/07/501170707.db2.gz JFPPZWBQBHNWAE-INIZCTEOSA-N -1 3 368.477 3.212 20 0 FGADHM C[C@@H]1CN(C)[C@@H](C)CN1C(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436618627 501170845 /nfs/dbraw/zinc/17/08/45/501170845.db2.gz OFQCSKBBTWTUAP-JKSUJKDBSA-N -1 3 354.450 3.136 20 0 FGADHM C[C@@H]1CCCC[C@@H]1CCNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436627940 501172769 /nfs/dbraw/zinc/17/27/69/501172769.db2.gz VZQLRBXJOUJIDT-NUJGCVRESA-N -1 3 358.482 3.329 20 0 FGADHM Cc1ccc([C@@H](CNC(=O)c2ccc(C(C)C)cc2[O-])N2CCOCC2)o1 ZINC000436626291 501173180 /nfs/dbraw/zinc/17/31/80/501173180.db2.gz RDYBGFUTKUQJRF-GOSISDBHSA-N -1 3 372.465 3.220 20 0 FGADHM O=C(NCc1cc(Oc2ccc(F)cc2)ccn1)c1ccc(O)cc1[O-] ZINC000436631766 501174085 /nfs/dbraw/zinc/17/40/85/501174085.db2.gz WRMBXCSAEMDYMO-UHFFFAOYSA-N -1 3 354.337 3.354 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N[C@@H](C)[C@@H](C)c2ccccc2)c([O-])c1 ZINC000436640016 501176261 /nfs/dbraw/zinc/17/62/61/501176261.db2.gz SPTTUAAGFMPTFV-CVEARBPZSA-N -1 3 354.450 3.129 20 0 FGADHM CCS[C@H]1CCCC[C@@H]1NC(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC000436640070 501176319 /nfs/dbraw/zinc/17/63/19/501176319.db2.gz SZTZNUGKCIGFLG-RDJZCZTQSA-N -1 3 364.511 3.001 20 0 FGADHM CCc1ccc(-c2noc([C@H](C)NC(=O)c3c([O-])cccc3O)n2)cc1 ZINC000436645124 501177388 /nfs/dbraw/zinc/17/73/88/501177388.db2.gz ATZAOQTXWCCWDL-NSHDSACASA-N -1 3 353.378 3.201 20 0 FGADHM CC(=O)c1ccc(C(=O)N(C)[C@@H]2CCCN(c3ccccc3)C2)cc1[O-] ZINC000436645676 501177415 /nfs/dbraw/zinc/17/74/15/501177415.db2.gz DVGGHQMCXWHFPR-GOSISDBHSA-N -1 3 352.434 3.336 20 0 FGADHM CC(C)n1ncnc1CNC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436649768 501178930 /nfs/dbraw/zinc/17/89/30/501178930.db2.gz SZQMQJOPGBGTON-UHFFFAOYSA-N -1 3 366.421 3.074 20 0 FGADHM CC[C@H](NC(=O)c1cccc(C)c1[O-])[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000436649305 501179180 /nfs/dbraw/zinc/17/91/80/501179180.db2.gz OQJIURYPBXHERW-RBUKOAKNSA-N -1 3 364.449 3.399 20 0 FGADHM O=C(CC12CC3CC(CC(C3)C1)C2)NCCCNC(=O)c1cccc([O-])c1 ZINC000588218833 506239042 /nfs/dbraw/zinc/23/90/42/506239042.db2.gz KOPCIEXAIOUMDC-UHFFFAOYSA-N -1 3 370.493 3.235 20 0 FGADHM O=C(NCC1(c2ccccc2Br)CC1)c1ccc(O)cc1[O-] ZINC000436668183 501183457 /nfs/dbraw/zinc/18/34/57/501183457.db2.gz AICFWQNYLYRRKL-UHFFFAOYSA-N -1 3 362.223 3.322 20 0 FGADHM COc1ccccc1[C@@H](CNC(=O)Cc1ccc([O-])c(F)c1)OC(C)C ZINC000450684630 501185535 /nfs/dbraw/zinc/18/55/35/501185535.db2.gz JTPHOYCGIFIHME-LJQANCHMSA-N -1 3 361.413 3.365 20 0 FGADHM CCNC(=O)Nc1cccc(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)c1 ZINC000436683767 501187576 /nfs/dbraw/zinc/18/75/76/501187576.db2.gz VSMNPDJKTAJJAF-UHFFFAOYSA-N -1 3 369.421 3.499 20 0 FGADHM COC(=O)C[C@](C)(NC(=O)c1ccc(C(C)C)cc1[O-])c1ccncc1 ZINC000436706573 501193421 /nfs/dbraw/zinc/19/34/21/501193421.db2.gz VCSAFSCHGHMJRF-FQEVSTJZSA-N -1 3 356.422 3.119 20 0 FGADHM C[S@@](=O)Cc1ccc(CNC(=O)c2cc3c(cc2[O-])CCCC3)cc1 ZINC000436712661 501194628 /nfs/dbraw/zinc/19/46/28/501194628.db2.gz OTHHTOVDQQCDGO-RUZDIDTESA-N -1 3 357.475 3.080 20 0 FGADHM COc1ccc(C(=O)N[C@@H](c2nccn2C)c2ccc(Cl)cc2)c([O-])c1 ZINC000436715945 501195269 /nfs/dbraw/zinc/19/52/69/501195269.db2.gz MZFGOCYASFXXTI-QGZVFWFLSA-N -1 3 371.824 3.307 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N2C[C@H](c3ccccc3)C[C@H]2C)c([O-])c1 ZINC000436737322 501201034 /nfs/dbraw/zinc/20/10/34/501201034.db2.gz IOJPJQHVCOSKJP-SJLPKXTDSA-N -1 3 366.461 3.225 20 0 FGADHM CCN(CC)CC(=O)Nc1cccc(NC(=O)c2cc(C)ccc2[O-])c1 ZINC000436738247 501201376 /nfs/dbraw/zinc/20/13/76/501201376.db2.gz LJMKZSGPFVDFNO-UHFFFAOYSA-N -1 3 355.438 3.233 20 0 FGADHM CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)c1cc(Br)ccc1[O-] ZINC000447078956 501202436 /nfs/dbraw/zinc/20/24/36/501202436.db2.gz SGHRYSVQKMRNHQ-UHFFFAOYSA-N -1 3 366.259 3.448 20 0 FGADHM CC(C)(C)OC(=O)[C@@H](Cc1ccccc1)NC(=O)Cc1ccc([O-])c(F)c1 ZINC000450182539 501202737 /nfs/dbraw/zinc/20/27/37/501202737.db2.gz DNMPLOUNIMSJPP-QGZVFWFLSA-N -1 3 373.424 3.143 20 0 FGADHM COc1ccc(F)cc1CN1CCN(C(=O)c2ccc(C)c(C)c2[O-])CC1 ZINC000436748418 501203060 /nfs/dbraw/zinc/20/30/60/501203060.db2.gz SBXLSMKECPAOHZ-UHFFFAOYSA-N -1 3 372.440 3.115 20 0 FGADHM Cc1ccc(C(=O)N[C@H](c2nccn2C)c2ccccc2F)c([O-])c1C ZINC000436755052 501204783 /nfs/dbraw/zinc/20/47/83/501204783.db2.gz LETXANRZIITPCG-KRWDZBQOSA-N -1 3 353.397 3.401 20 0 FGADHM CC(C)(C)OC(=O)C(C)(C)C(=O)Nc1cc(Br)ccc1[O-] ZINC000592779875 506240733 /nfs/dbraw/zinc/24/07/33/506240733.db2.gz JDOQRGVDUKEMMX-UHFFFAOYSA-N -1 3 358.232 3.461 20 0 FGADHM COc1ccc(NC(C)=O)cc1NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436756800 501205814 /nfs/dbraw/zinc/20/58/14/501205814.db2.gz QIKWSVHDAHTGKS-UHFFFAOYSA-N -1 3 370.405 3.325 20 0 FGADHM COc1cc(-c2noc(-c3cccnc3OCC(F)(F)F)n2)ccc1[O-] ZINC000436758481 501206165 /nfs/dbraw/zinc/20/61/65/501206165.db2.gz XWTQUHAJFDEKMU-UHFFFAOYSA-N -1 3 367.283 3.454 20 0 FGADHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1CCC[C@H]1CC(C)C ZINC000442208440 501208480 /nfs/dbraw/zinc/20/84/80/501208480.db2.gz MHVWLJFPRRPNNQ-ZDUSSCGKSA-N -1 3 366.483 3.209 20 0 FGADHM CC(C)Oc1cc(CN(C(=O)Cc2ccc([O-])c(F)c2)C2CC2)ccn1 ZINC000450206937 501210391 /nfs/dbraw/zinc/21/03/91/501210391.db2.gz ZTONKQQTHSUMPO-UHFFFAOYSA-N -1 3 358.413 3.447 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C)c2ccccc2OC(F)F)c1 ZINC000436781483 501211040 /nfs/dbraw/zinc/21/10/40/501211040.db2.gz JVJNMVHNZIPOFS-JTQLQIEISA-N -1 3 364.348 3.443 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)NCCc2ccc(OCC(C)C)cc2)c1 ZINC000436786233 501211448 /nfs/dbraw/zinc/21/14/48/501211448.db2.gz IADCNYSMDJZPBG-UHFFFAOYSA-N -1 3 370.449 3.358 20 0 FGADHM COC(=O)c1cc(C)nc2nc(SC[C@@H]3CCC(F)(F)C3)[n-]c(=O)c12 ZINC000450819392 501213898 /nfs/dbraw/zinc/21/38/98/501213898.db2.gz KSTHSYVWLSXQIX-SECBINFHSA-N -1 3 369.393 3.353 20 0 FGADHM COc1ccc(NC(=O)c2ccc3c(c2[O-])CCCC3)cc1NC(N)=O ZINC000436819348 501216500 /nfs/dbraw/zinc/21/65/00/501216500.db2.gz YCTMWXSVVUPHND-UHFFFAOYSA-N -1 3 355.394 3.023 20 0 FGADHM Cc1ccc(CNC(=O)c2ccc([O-])c(C)c2)c(-n2cc(Cl)cn2)n1 ZINC000436818780 501216590 /nfs/dbraw/zinc/21/65/90/501216590.db2.gz WDZODPLYDLTPBD-UHFFFAOYSA-N -1 3 356.813 3.173 20 0 FGADHM CCOC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)c1ccc(CC)cc1[O-] ZINC000436826115 501217220 /nfs/dbraw/zinc/21/72/20/501217220.db2.gz NXTJHQMBSFOUGJ-GOSISDBHSA-N -1 3 355.434 3.201 20 0 FGADHM Cc1nc([N-]C(=O)[C@H](C)Oc2ccc(Cl)cc2)n(-c2ccccc2)n1 ZINC000436830157 501218193 /nfs/dbraw/zinc/21/81/93/501218193.db2.gz NKTATSRWWUPHPK-LBPRGKRZSA-N -1 3 356.813 3.057 20 0 FGADHM CCc1ccc(C(=O)N2CCN(Cc3ccc(Cl)cc3)C(=O)C2)c([O-])c1 ZINC000436831497 501218676 /nfs/dbraw/zinc/21/86/76/501218676.db2.gz GPTWCQUCWIPORP-UHFFFAOYSA-N -1 3 372.852 3.093 20 0 FGADHM Cc1ccc(C(=O)Nc2ccc(CN3CCOCC3)c(Cl)c2)c([O-])c1 ZINC000436838558 501219621 /nfs/dbraw/zinc/21/96/21/501219621.db2.gz JITANIGNBRDDHT-UHFFFAOYSA-N -1 3 360.841 3.439 20 0 FGADHM CC(=O)c1ccc(C(=O)NC[C@H](c2ccco2)N2CCCCC2)cc1[O-] ZINC000436849121 501221143 /nfs/dbraw/zinc/22/11/43/501221143.db2.gz CVTIPIMIXXPXSX-QGZVFWFLSA-N -1 3 356.422 3.145 20 0 FGADHM COCCCOc1ccc(NC(=O)c2cccc(OC)c2[O-])cc1OC ZINC000436858731 501222360 /nfs/dbraw/zinc/22/23/60/501222360.db2.gz HGKQAVKFNYJNPB-UHFFFAOYSA-N -1 3 361.394 3.077 20 0 FGADHM CSC[C@@H](C)C(=O)N1CCC(c2nc(-c3ccc([O-])cc3)no2)CC1 ZINC000436867521 501223918 /nfs/dbraw/zinc/22/39/18/501223918.db2.gz CMLXDKDONKPUDA-GFCCVEGCSA-N -1 3 361.467 3.147 20 0 FGADHM C[C@@H]1Cc2ccc(Br)cc2CN1C(=O)c1ccc(O)cc1[O-] ZINC000436867837 501224446 /nfs/dbraw/zinc/22/44/46/501224446.db2.gz FAXJLDMENRWMPK-SNVBAGLBSA-N -1 3 362.223 3.447 20 0 FGADHM CN1CC[C@@H](NC(=O)Cc2ccc([O-])c(F)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000450283501 501225253 /nfs/dbraw/zinc/22/52/53/501225253.db2.gz AGPBIRANZSVJFN-APWZRJJASA-N -1 3 362.832 3.289 20 0 FGADHM O=c1[n-]nc([C@@H]2CCCN(Cc3ccccc3OCC(F)(F)F)C2)o1 ZINC000450896894 501225828 /nfs/dbraw/zinc/22/58/28/501225828.db2.gz OWTZZBGPWYTTJS-GFCCVEGCSA-N -1 3 357.332 3.096 20 0 FGADHM CCc1ccc(-c2nc(CC(=O)Nc3cccc(OC)c3)no2)c([O-])c1 ZINC000436878526 501226132 /nfs/dbraw/zinc/22/61/32/501226132.db2.gz UFHXJKMMBIDNOZ-UHFFFAOYSA-N -1 3 353.378 3.194 20 0 FGADHM COc1cccc([C@H]2[C@@H](NC(=O)c3cccc(C)c3[O-])CCN2C2CC2)c1 ZINC000436884511 501226972 /nfs/dbraw/zinc/22/69/72/501226972.db2.gz AMGGDBBLLYCWMY-PMACEKPBSA-N -1 3 366.461 3.417 20 0 FGADHM Cc1cccc(C(=O)N[C@H]2CCCN([C@H](C)c3ccccc3F)C2=O)c1[O-] ZINC000436900616 501229503 /nfs/dbraw/zinc/22/95/03/501229503.db2.gz DECYRPLGFVLYFO-KDOFPFPSSA-N -1 3 370.424 3.322 20 0 FGADHM C/C=C/C[C@H](NC(=O)CCc1ccc2ccccc2c1[O-])C(=O)OCC ZINC000450919657 501230100 /nfs/dbraw/zinc/23/01/00/501230100.db2.gz ZDHGBNVDMDOCKF-YZTRRJNXSA-N -1 3 355.434 3.492 20 0 FGADHM COc1cccc(C(=O)Nc2ccc(OCC3CCOCC3)cc2)c1[O-] ZINC000436921051 501233362 /nfs/dbraw/zinc/23/33/62/501233362.db2.gz RHWXQPQPOXLIFK-UHFFFAOYSA-N -1 3 357.406 3.459 20 0 FGADHM O=S(=O)(Cc1ccc(C(F)F)cc1)[N-]c1nc(C(F)(F)F)c[nH]1 ZINC000451022887 501239772 /nfs/dbraw/zinc/23/97/72/501239772.db2.gz SPVFFKLIPNIUOQ-UHFFFAOYSA-N -1 3 355.288 3.308 20 0 FGADHM CC(=O)Nc1ccc(S(=O)(=O)[N-][C@H](C)C(C)(F)F)c2ccccc12 ZINC000451070912 501243144 /nfs/dbraw/zinc/24/31/44/501243144.db2.gz PTYDNOBAJZLSAW-SNVBAGLBSA-N -1 3 356.394 3.120 20 0 FGADHM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(C)c(C)cc2Cl)cnc1C ZINC000451079297 501243898 /nfs/dbraw/zinc/24/38/98/501243898.db2.gz IJZPDDSJLLNMJJ-UHFFFAOYSA-N -1 3 368.842 3.248 20 0 FGADHM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)C[C@@H]2CCCCC2(F)F)o1 ZINC000451240984 501254241 /nfs/dbraw/zinc/25/42/41/501254241.db2.gz JINHBFZXUKLWOZ-GXTWGEPZSA-N -1 3 365.442 3.274 20 0 FGADHM O=C(Cc1ccc([O-])c(F)c1)N1CCC(c2ncc3n2CCCC3)CC1 ZINC000451285406 501257374 /nfs/dbraw/zinc/25/73/74/501257374.db2.gz BFZWDAYQEPYOPO-UHFFFAOYSA-N -1 3 357.429 3.013 20 0 FGADHM CC(C)(C)C1CC(C(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)C1 ZINC000457594584 501265270 /nfs/dbraw/zinc/26/52/70/501265270.db2.gz ZOGRLNBVEVMRFL-UHFFFAOYSA-N -1 3 358.482 3.185 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1sccc1Cl)[C@H](c1ccccc1)N(C)C ZINC000451416000 501287523 /nfs/dbraw/zinc/28/75/23/501287523.db2.gz IWTOWAHZTBTINS-BXUZGUMPSA-N -1 3 358.916 3.371 20 0 FGADHM Cc1csc(S(=O)(=O)[N-]Cc2c(F)cccc2N2CCCC2)c1 ZINC000451536884 501316827 /nfs/dbraw/zinc/31/68/27/501316827.db2.gz RSIUGSOZGYSWDC-UHFFFAOYSA-N -1 3 354.472 3.274 20 0 FGADHM CC[C@]1(C[N-]S(=O)(=O)C[C@H]2CCCC2(F)F)OCCc2ccccc21 ZINC000451568475 501326624 /nfs/dbraw/zinc/32/66/24/501326624.db2.gz RDIIXKIYROMRCY-NVXWUHKLSA-N -1 3 373.465 3.219 20 0 FGADHM CC(C)OC(=O)[C@@H](NCc1nc2c3ccccc3oc2c(=O)[n-]1)C(C)C ZINC000451590050 501330989 /nfs/dbraw/zinc/33/09/89/501330989.db2.gz MCYCMHFLKPMFIX-HNNXBMFYSA-N -1 3 357.410 3.147 20 0 FGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@@H]1CCCc2c(F)cccc21 ZINC000451589001 501331360 /nfs/dbraw/zinc/33/13/60/501331360.db2.gz HJSSBCIVIALCGJ-CYBMUJFWSA-N -1 3 369.439 3.030 20 0 FGADHM O=S(=O)([N-]C[C@@H]1CCCCC1(F)F)c1cnn(Cc2ccccc2)c1 ZINC000451641790 501342171 /nfs/dbraw/zinc/34/21/71/501342171.db2.gz OOTBKUVGHXHFFF-HNNXBMFYSA-N -1 3 369.437 3.035 20 0 FGADHM CC[C@H](COCC(F)(F)F)[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000451654563 501345398 /nfs/dbraw/zinc/34/53/98/501345398.db2.gz OUQIWPBPZUPOCL-SNVBAGLBSA-N -1 3 363.760 3.115 20 0 FGADHM CC[C@@](C)(C[N-]S(=O)(=O)c1ccc(-c2csc(C)n2)s1)OC ZINC000451797067 501373826 /nfs/dbraw/zinc/37/38/26/501373826.db2.gz NZWNIRSUDVYADO-AWEZNQCLSA-N -1 3 360.526 3.273 20 0 FGADHM COC[C@@H](C[N-]S(=O)(=O)c1cc(C)cs1)c1ccc(Cl)cc1 ZINC000451810495 501377082 /nfs/dbraw/zinc/37/70/82/501377082.db2.gz OFITZEBRMHQDIJ-CYBMUJFWSA-N -1 3 359.900 3.418 20 0 FGADHM CCn1ccnc1[C@H](C)[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000451935203 501403984 /nfs/dbraw/zinc/40/39/84/501403984.db2.gz RDOCQGLMDDUOAT-LBPRGKRZSA-N -1 3 362.480 3.066 20 0 FGADHM CCC1(C[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)COC1 ZINC000451954577 501407125 /nfs/dbraw/zinc/40/71/25/501407125.db2.gz XNMXBTSVFGLLEC-UHFFFAOYSA-N -1 3 357.781 3.064 20 0 FGADHM CC(C)(c1nc(-c2cc(=O)[n-]cn2)no1)c1ccc(OC(F)(F)F)cc1 ZINC000582487475 506251462 /nfs/dbraw/zinc/25/14/62/506251462.db2.gz WZVUNCDPCRXWNT-UHFFFAOYSA-N -1 3 366.299 3.457 20 0 FGADHM CCO[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)c(OC)cc1Cl ZINC000452056902 501426136 /nfs/dbraw/zinc/42/61/36/501426136.db2.gz FMIHMTCOJPWBHF-VXGBXAGGSA-N -1 3 368.282 3.238 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-][C@H](c2cccs2)C2(CO)CCC2)c(F)c1 ZINC000452080986 501430946 /nfs/dbraw/zinc/43/09/46/501430946.db2.gz HOSDOMICYGUTPV-MRXNPFEDSA-N -1 3 369.483 3.378 20 0 FGADHM Cc1cccc(S(=O)(=O)[N-][C@@H](c2cccs2)C2(CO)CCC2)c1F ZINC000452098074 501434476 /nfs/dbraw/zinc/43/44/76/501434476.db2.gz YXRWDXQEBVDULO-INIZCTEOSA-N -1 3 369.483 3.378 20 0 FGADHM Cc1o[n-]c(=NC(=O)c2nn(-c3ccc(C)cc3F)c3c2CCC3)c1C ZINC000452170505 501451803 /nfs/dbraw/zinc/45/18/03/501451803.db2.gz ZVRJQXCTFCPVGD-UHFFFAOYSA-N -1 3 354.385 3.088 20 0 FGADHM COc1ccc2c(c1)CN(C(=O)CCCc1ccc([O-])c(F)c1)CCO2 ZINC000456172011 501469060 /nfs/dbraw/zinc/46/90/60/501469060.db2.gz DNRASYFRLMZHJL-UHFFFAOYSA-N -1 3 359.397 3.284 20 0 FGADHM CCO[C@@H]1CCN(C(=O)NCc2ccc([O-])c(Br)c2)C[C@H]1C ZINC000458551080 501472192 /nfs/dbraw/zinc/47/21/92/501472192.db2.gz LGTKFLAJZFTHOO-IAQYHMDHSA-N -1 3 371.275 3.111 20 0 FGADHM O=C(Cc1ccc(Br)cc1[O-])N1C[C@H](C2CC2)[C@@H]1C1CC1 ZINC000456260116 501483168 /nfs/dbraw/zinc/48/31/68/501483168.db2.gz RVQCFCWEHXFFIO-PBHICJAKSA-N -1 3 350.256 3.344 20 0 FGADHM O=C(c1cc2c(cc1[O-])CCCC2)N1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC000452505736 501516000 /nfs/dbraw/zinc/51/60/00/501516000.db2.gz SHMNHYPCIJLYKL-DENIHFKCSA-N -1 3 369.436 3.211 20 0 FGADHM CCOc1nc2ccc(C(=O)N3CCOC[C@@H]3c3ccc(F)cc3)cc2[n-]1 ZINC000456452086 501528437 /nfs/dbraw/zinc/52/84/37/501528437.db2.gz AXUGMPXNBOFFGF-GOSISDBHSA-N -1 3 369.396 3.314 20 0 FGADHM CCOc1nc2cc(C(=O)N3CCOC[C@@H]3c3ccc(F)cc3)ccc2[n-]1 ZINC000456452086 501528440 /nfs/dbraw/zinc/52/84/40/501528440.db2.gz AXUGMPXNBOFFGF-GOSISDBHSA-N -1 3 369.396 3.314 20 0 FGADHM COc1cc(C(=O)N[C@H]2CCO[C@H](c3cccs3)C2)cc(OC)c1[O-] ZINC000456531180 501542846 /nfs/dbraw/zinc/54/28/46/501542846.db2.gz JGUNRCJEFLVRSL-STQMWFEESA-N -1 3 363.435 3.121 20 0 FGADHM Cc1c(Br)ccc([O-])c1NC(=O)c1cn(CCC(C)C)nn1 ZINC000452749442 501555936 /nfs/dbraw/zinc/55/59/36/501555936.db2.gz MCVVUJFEYJEAHQ-UHFFFAOYSA-N -1 3 367.247 3.353 20 0 FGADHM CC(C)c1ccc(C(=O)N(Cc2cccc(C(N)=O)c2)C2CC2)c([O-])c1 ZINC000452815768 501567104 /nfs/dbraw/zinc/56/71/04/501567104.db2.gz KWDIMJPYGIIBLA-UHFFFAOYSA-N -1 3 352.434 3.419 20 0 FGADHM COCCN(Cc1ccc(F)c(Cl)c1)C(=O)c1cc(OC)ccc1[O-] ZINC000456876915 501613713 /nfs/dbraw/zinc/61/37/13/501613713.db2.gz HGYSDMWQFKSKNE-UHFFFAOYSA-N -1 3 367.804 3.482 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N3C[C@@H]4[C@@H]5CC[C@@H](C5)[C@@]4(C)C3)c[n-]c12 ZINC000456988418 501630759 /nfs/dbraw/zinc/63/07/59/501630759.db2.gz PYGLJSDGGAXCDV-URCVVBJGSA-N -1 3 354.425 3.484 20 0 FGADHM Cc1nc(C[C@@H]2CCCN(Cc3cccc([O-])c3Br)C2)no1 ZINC000459327946 501631372 /nfs/dbraw/zinc/63/13/72/501631372.db2.gz OVZPERDCDOBNHQ-LBPRGKRZSA-N -1 3 366.259 3.301 20 0 FGADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)N1CC[C@H](CC(C)(C)C)C1 ZINC000457012354 501635118 /nfs/dbraw/zinc/63/51/18/501635118.db2.gz IXYITYKDVLMFNG-GFCCVEGCSA-N -1 3 356.470 3.450 20 0 FGADHM CC[C@H]1CN(C(C)=O)[C@@H](CC)CN1Cc1cccc([O-])c1Br ZINC000459373590 501641730 /nfs/dbraw/zinc/64/17/30/501641730.db2.gz KWHAXFIOJLGVQA-GJZGRUSLSA-N -1 3 369.303 3.376 20 0 FGADHM O=c1cc(CN(C[C@@H]2CCCO2)[C@@H]2CCSC2)nc(-c2ccccc2)[n-]1 ZINC000459396980 501646283 /nfs/dbraw/zinc/64/62/83/501646283.db2.gz WGZNAAINPBMNSH-MSOLQXFVSA-N -1 3 371.506 3.336 20 0 FGADHM CCOc1cc(CN2CCO[C@@H](C3CC3)C2)cc(Br)c1[O-] ZINC000459496751 501663988 /nfs/dbraw/zinc/66/39/88/501663988.db2.gz HMUDPWVLUMECFJ-OAHLLOKOSA-N -1 3 356.260 3.164 20 0 FGADHM CC1(C)CN(Cc2cccc([O-])c2Br)C[C@@]2(CCCOC2)O1 ZINC000459513135 501667249 /nfs/dbraw/zinc/66/72/49/501667249.db2.gz OMZKAGAKXQPFOC-QGZVFWFLSA-N -1 3 370.287 3.315 20 0 FGADHM CCOc1cc(CN[C@H](C)C(=O)N2Cc3ccccc3C2)cc(Cl)c1[O-] ZINC000459533268 501671335 /nfs/dbraw/zinc/67/13/35/501671335.db2.gz SHLDIBNLKWLKAG-CYBMUJFWSA-N -1 3 374.868 3.465 20 0 FGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@@]1(C)CCCC[C@@H]1C ZINC000457278904 501675562 /nfs/dbraw/zinc/67/55/62/501675562.db2.gz YRCVQOQXKSNREJ-QKKBWIMNSA-N -1 3 368.481 3.158 20 0 FGADHM CN(C)CCN(Cc1ccco1)Cc1cccc([O-])c1Br ZINC000459567832 501678227 /nfs/dbraw/zinc/67/82/27/501678227.db2.gz WLHLMMLIWYRDPI-UHFFFAOYSA-N -1 3 353.260 3.312 20 0 FGADHM COCCN(Cc1c(C)nn(C)c1C)Cc1ccc([O-])c2nc(C)ccc12 ZINC000459577872 501680188 /nfs/dbraw/zinc/68/01/88/501680188.db2.gz MFMKMEGLOGZDSQ-UHFFFAOYSA-N -1 3 368.481 3.248 20 0 FGADHM COC(=O)c1ccc(C(=O)[N-]c2nnc(/C=C/c3ccco3)s2)c(F)c1 ZINC000477630229 501744183 /nfs/dbraw/zinc/74/41/83/501744183.db2.gz WMBSEIFMBZEQLG-FNORWQNLSA-N -1 3 373.365 3.480 20 0 FGADHM COC(=O)c1c(F)ccc([N-]C(=O)c2ccoc2Br)c1F ZINC000485169192 501745997 /nfs/dbraw/zinc/74/59/97/501745997.db2.gz WDSXNUZDWBMPNE-UHFFFAOYSA-N -1 3 360.110 3.359 20 0 FGADHM COC(=O)c1c(F)ccc([N-]C(=O)c2cc(-c3cccnc3)on2)c1F ZINC000485185206 501749580 /nfs/dbraw/zinc/74/95/80/501749580.db2.gz QACXAZGAXHRGMC-UHFFFAOYSA-N -1 3 359.288 3.054 20 0 FGADHM CCCCn1cc(C(=O)N=c2cc(-c3cc(F)cc(F)c3)[n-][nH]2)c(C)n1 ZINC000474275414 501770757 /nfs/dbraw/zinc/77/07/57/501770757.db2.gz LUMYMSZEIVZBPS-UHFFFAOYSA-N -1 3 359.380 3.334 20 0 FGADHM Cc1cc([C@H]2CCCN2c2nc3[nH][n-]cc-3c(=N)n2)ccc1Br ZINC000485400172 501811086 /nfs/dbraw/zinc/81/10/86/501811086.db2.gz AYEDIYJJCMJVSL-CYBMUJFWSA-N -1 3 373.258 3.129 20 0 FGADHM Cc1cc(C(=O)N2CCCCC[C@H]2CC(=O)c2ccccc2)[n-]c(=O)n1 ZINC000467531923 501817454 /nfs/dbraw/zinc/81/74/54/501817454.db2.gz HZWZIVFRIIEFHL-INIZCTEOSA-N -1 3 353.422 3.148 20 0 FGADHM CCC[C@@](C)([N-]S(=O)(=O)c1ccc(Cl)cc1Cl)C(=O)OC ZINC000485436992 501820886 /nfs/dbraw/zinc/82/08/86/501820886.db2.gz MEFVXMCMBZFZRT-CYBMUJFWSA-N -1 3 354.255 3.004 20 0 FGADHM COc1cc(C)c(C(=O)N=c2cc(-c3cc(F)cc(F)c3)[n-][nH]2)cc1OC ZINC000467713932 501850261 /nfs/dbraw/zinc/85/02/61/501850261.db2.gz OFZKJIIAUFJQHI-UHFFFAOYSA-N -1 3 373.359 3.355 20 0 FGADHM O=C(N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1)C(=O)c1ccc(Cl)cc1 ZINC000467712807 501851306 /nfs/dbraw/zinc/85/13/06/501851306.db2.gz FFGUSAQRYPPTOC-UHFFFAOYSA-N -1 3 361.735 3.252 20 0 FGADHM COc1cc(C)ccc1OCC(=O)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1 ZINC000467716467 501851474 /nfs/dbraw/zinc/85/14/74/501851474.db2.gz WRSIFKOHVNCXND-UHFFFAOYSA-N -1 3 373.359 3.111 20 0 FGADHM CN(CCCOCc1ccccc1)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000467807672 501879767 /nfs/dbraw/zinc/87/97/67/501879767.db2.gz YXSCUBTXKYVKJT-UHFFFAOYSA-N -1 3 350.418 3.207 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)[C@H](c2ccccc2)N(C)C)c(F)c1 ZINC000474583080 501883938 /nfs/dbraw/zinc/88/39/38/501883938.db2.gz GZAOOAVAVIEUGD-KBXCAEBGSA-N -1 3 350.459 3.104 20 0 FGADHM Cc1cn(-c2ccc(Cl)cc2)nc1NC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000467829952 501885842 /nfs/dbraw/zinc/88/58/42/501885842.db2.gz JFRUQBKDHQPKAK-UHFFFAOYSA-N -1 3 371.828 3.128 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]CCSc2ccc(C)cc2)c(F)c1 ZINC000478129781 501889409 /nfs/dbraw/zinc/88/94/09/501889409.db2.gz BYYPBIITZBVXCM-UHFFFAOYSA-N -1 3 355.456 3.213 20 0 FGADHM CCCCc1nc(C(=O)OCC)c(NC(=O)c2ccc3c(c2)COC3)[n-]1 ZINC000485676616 501897531 /nfs/dbraw/zinc/89/75/31/501897531.db2.gz VMRUVJAWHILAIC-UHFFFAOYSA-N -1 3 357.410 3.212 20 0 FGADHM CCCCc1nc(NC(=O)c2ccc3c(c2)COC3)c(C(=O)OCC)[n-]1 ZINC000485676616 501897533 /nfs/dbraw/zinc/89/75/33/501897533.db2.gz VMRUVJAWHILAIC-UHFFFAOYSA-N -1 3 357.410 3.212 20 0 FGADHM COCc1ccc(S(=O)(=O)[N-]c2ccc(CN(C)C)c(Cl)c2)cc1 ZINC000481861692 501902737 /nfs/dbraw/zinc/90/27/37/501902737.db2.gz FPBDIRAOVOKRLY-UHFFFAOYSA-N -1 3 368.886 3.349 20 0 FGADHM O=C(CSCc1ccc(Cl)cc1)NCc1nnc(C(F)(F)F)[n-]1 ZINC000481917899 501917821 /nfs/dbraw/zinc/91/78/21/501917821.db2.gz ZSBOHMPNCAYGGH-UHFFFAOYSA-N -1 3 364.780 3.027 20 0 FGADHM O=C(CSCc1ccc(Cl)cc1)NCc1n[n-]c(C(F)(F)F)n1 ZINC000481917899 501917825 /nfs/dbraw/zinc/91/78/25/501917825.db2.gz ZSBOHMPNCAYGGH-UHFFFAOYSA-N -1 3 364.780 3.027 20 0 FGADHM O=C(CSCc1ccc(Cl)cc1)NCc1nc(C(F)(F)F)n[n-]1 ZINC000481917899 501917831 /nfs/dbraw/zinc/91/78/31/501917831.db2.gz ZSBOHMPNCAYGGH-UHFFFAOYSA-N -1 3 364.780 3.027 20 0 FGADHM CC(C)[C@@H](SCc1ccccc1)C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000481926170 501920480 /nfs/dbraw/zinc/92/04/80/501920480.db2.gz WOESFJCTAHTNJC-CYBMUJFWSA-N -1 3 372.416 3.398 20 0 FGADHM CC(C)[C@@H](SCc1ccccc1)C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000481926170 501920483 /nfs/dbraw/zinc/92/04/83/501920483.db2.gz WOESFJCTAHTNJC-CYBMUJFWSA-N -1 3 372.416 3.398 20 0 FGADHM CC(C)[C@@H](SCc1ccccc1)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000481926170 501920489 /nfs/dbraw/zinc/92/04/89/501920489.db2.gz WOESFJCTAHTNJC-CYBMUJFWSA-N -1 3 372.416 3.398 20 0 FGADHM COCc1cccc(S(=O)(=O)[N-]c2ccc(OCC(F)F)cc2)c1 ZINC000481962830 501930981 /nfs/dbraw/zinc/93/09/81/501930981.db2.gz XKFFATIHIQKWMG-UHFFFAOYSA-N -1 3 357.378 3.278 20 0 FGADHM Cc1ccc(-c2noc(CS(=O)(=O)[N-]C3CCC(C)CC3)n2)c(F)c1 ZINC000460828140 501931490 /nfs/dbraw/zinc/93/14/90/501931490.db2.gz AAABXNHWKSEGNQ-UHFFFAOYSA-N -1 3 367.446 3.182 20 0 FGADHM COc1cccc2c1n[n-]c2C(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1 ZINC000485776455 501931972 /nfs/dbraw/zinc/93/19/72/501931972.db2.gz OPCJKZIKJKGQPJ-UHFFFAOYSA-N -1 3 366.421 3.352 20 0 FGADHM COc1cccc2c(C(=O)Nc3ccc(C(=O)NC(C)(C)C)cc3)n[n-]c21 ZINC000485776455 501931975 /nfs/dbraw/zinc/93/19/75/501931975.db2.gz OPCJKZIKJKGQPJ-UHFFFAOYSA-N -1 3 366.421 3.352 20 0 FGADHM O=C(CNC(=O)c1cccc([O-])c1)N[C@H](c1ccccc1)C1CCCC1 ZINC000474721318 501932407 /nfs/dbraw/zinc/93/24/07/501932407.db2.gz VHSJKYRXLHTMSP-HXUWFJFHSA-N -1 3 352.434 3.170 20 0 FGADHM Cc1coc(-c2cc(NC(=O)CNC(=O)c3cccc([O-])c3)ccc2C)n1 ZINC000474741525 501939250 /nfs/dbraw/zinc/93/92/50/501939250.db2.gz XKEVQZPYBYAXEA-UHFFFAOYSA-N -1 3 365.389 3.033 20 0 FGADHM CCOC(=O)c1cccc([N-]C(=O)c2noc(-c3cccc(OC)c3)n2)c1 ZINC000471174373 501945399 /nfs/dbraw/zinc/94/53/99/501945399.db2.gz WCRJDLUOSKRJSY-UHFFFAOYSA-N -1 3 367.361 3.174 20 0 FGADHM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000474780202 501951137 /nfs/dbraw/zinc/95/11/37/501951137.db2.gz MYWXAAJKGPLPRY-UHFFFAOYSA-N -1 3 358.394 3.138 20 0 FGADHM Cc1ccc2c(CC[N-]S(=O)(=O)c3cc(F)c(F)c(F)c3)c[nH]c2c1 ZINC000485860169 501964130 /nfs/dbraw/zinc/96/41/30/501964130.db2.gz DXJYTIXHMNHXIR-UHFFFAOYSA-N -1 3 368.380 3.415 20 0 FGADHM CCc1ncc(S(=O)(=O)[N-][C@H]2CCO[C@@H]2c2ccc(Cl)cc2)s1 ZINC000460941086 501964460 /nfs/dbraw/zinc/96/44/60/501964460.db2.gz ZNJVQHOZROQXBM-SWLSCSKDSA-N -1 3 372.899 3.167 20 0 FGADHM CCc1ncc(S(=O)(=O)[N-]C[C@@H]2CCC[C@H](C(F)(F)F)C2)s1 ZINC000460941780 501965634 /nfs/dbraw/zinc/96/56/34/501965634.db2.gz ZUASBKIETXHQEV-ZJUUUORDSA-N -1 3 356.435 3.353 20 0 FGADHM CCc1ncc(S(=O)(=O)[N-][C@@H](c2ccc(OC)cc2)C(C)C)s1 ZINC000460954653 501969540 /nfs/dbraw/zinc/96/95/40/501969540.db2.gz CKOBBJVZLBMHPC-MRXNPFEDSA-N -1 3 354.497 3.390 20 0 FGADHM CO[C@H](C(=O)N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1)C(C)C ZINC000474851247 501970278 /nfs/dbraw/zinc/97/02/78/501970278.db2.gz KCOIPRMDYSTVQQ-AWEZNQCLSA-N -1 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Cc1ccccc1-c1cc(=NC(=O)[C@@H]2CCCN(CC(F)(F)F)C2)[nH][n-]1 ZINC000512349136 503525761 /nfs/dbraw/zinc/52/57/61/503525761.db2.gz SONJNAQXSGPMCJ-CYBMUJFWSA-N -1 3 366.387 3.020 20 0 FGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@H](C)CCCC(F)(F)F ZINC000494330847 503526368 /nfs/dbraw/zinc/52/63/68/503526368.db2.gz NHMDANKHYVXDMH-SECBINFHSA-N -1 3 373.418 3.243 20 0 FGADHM C[C@]1(C[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CCOC1 ZINC000500041875 503539596 /nfs/dbraw/zinc/53/95/96/503539596.db2.gz WKEAWTLOWCDESL-GFCCVEGCSA-N -1 3 357.781 3.064 20 0 FGADHM Cc1cc(C(=O)N[C@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)cc2)ccc1[O-] ZINC000500063072 503543779 /nfs/dbraw/zinc/54/37/79/503543779.db2.gz CYHHSWCTXXIDBK-MAUKXSAKSA-N -1 3 358.825 3.056 20 0 FGADHM CC(C)[C@H]([N-]S(=O)(=O)CCC(C)(C)C)c1nc(-c2cccnc2)no1 ZINC000500078216 503546982 /nfs/dbraw/zinc/54/69/82/503546982.db2.gz VUQVMXVYNJQRLC-AWEZNQCLSA-N -1 3 366.487 3.184 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)[C@@H]1CCCN(C2CCC2)C1 ZINC000512454211 503557545 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CCCOc1ccc(CNC(=O)c2c[n-]nc2-c2ccccn2)cc1OC ZINC000516932313 503622554 /nfs/dbraw/zinc/62/25/54/503622554.db2.gz JFMJADUWNSGEHG-UHFFFAOYSA-N -1 3 366.421 3.199 20 0 FGADHM CC(C)[C@@H](NC(=O)N=c1cc(OC(F)F)n(C)[n-]1)c1ccc(F)cc1 ZINC000504849164 503625695 /nfs/dbraw/zinc/62/56/95/503625695.db2.gz QMNXGMPFPOFSFN-CQSZACIVSA-N -1 3 356.348 3.101 20 0 FGADHM COc1ccc(CN[C@@H]2CCC[C@H]2OC(F)F)c(Br)c1[O-] ZINC000500458831 503629898 /nfs/dbraw/zinc/62/98/98/503629898.db2.gz CAIAAUJEUXDNEL-NXEZZACHSA-N -1 3 366.202 3.413 20 0 FGADHM Cc1sc2[n-]c(CN3C[C@@H](C)[C@@H](O)C3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000509050274 503630215 /nfs/dbraw/zinc/63/02/15/503630215.db2.gz VQUHTUXIZQYNPD-DOMZBBRYSA-N -1 3 369.490 3.493 20 0 FGADHM C[C@]1(c2ccc(CNc3ccnc4cc(F)ccc43)cc2)NC(=O)[N-]C1=O ZINC000500465715 503630698 /nfs/dbraw/zinc/63/06/98/503630698.db2.gz JQZMZHFBPXRMAZ-HXUWFJFHSA-N -1 3 364.380 3.041 20 0 FGADHM Cc1cc(=O)c(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)cn1C1CC1 ZINC000500535966 503643482 /nfs/dbraw/zinc/64/34/82/503643482.db2.gz JKLAYJUCEONQCH-UHFFFAOYSA-N -1 3 352.312 3.468 20 0 FGADHM CCCCO[C@H](C)C(=O)N=c1cc(-c2cc(Cl)ccc2OC)[n-][nH]1 ZINC000512847647 503644389 /nfs/dbraw/zinc/64/43/89/503644389.db2.gz YDEJWDWPCXJEIW-LLVKDONJSA-N -1 3 351.834 3.304 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1cncc(F)c1)c1nc(-c2ccccc2)cs1 ZINC000500559376 503646986 /nfs/dbraw/zinc/64/69/86/503646986.db2.gz MSYLDPOPTDTXCK-LLVKDONJSA-N -1 3 363.439 3.384 20 0 FGADHM C[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(c2nc3[nH][n-]cc-3c(=N)n2)C1 ZINC000546181457 503659239 /nfs/dbraw/zinc/65/92/39/503659239.db2.gz QXUWANJSCAZUQY-TVQRCGJNSA-N -1 3 362.359 3.323 20 0 FGADHM C[C@@H]1CN(Cc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)CC(C)(C)C1 ZINC000543174733 503659673 /nfs/dbraw/zinc/65/96/73/503659673.db2.gz GLAVHNDKWFHRND-AWEZNQCLSA-N -1 3 351.454 3.389 20 0 FGADHM O=C(Cc1ccccc1Br)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000517078999 503661857 /nfs/dbraw/zinc/66/18/57/503661857.db2.gz FJMIAMIAZNFZIN-UHFFFAOYSA-N -1 3 356.223 3.442 20 0 FGADHM CCCC(CCC)c1nc(-c2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)no1 ZINC000546234922 503682735 /nfs/dbraw/zinc/68/27/35/503682735.db2.gz SYLKDGUMJGTKMY-IBGZPJMESA-N -1 3 356.426 3.475 20 0 FGADHM O=C(c1cccc2[n-]nnc21)N1CCC[C@H](Oc2ccccc2Cl)C1 ZINC000527111171 503683647 /nfs/dbraw/zinc/68/36/47/503683647.db2.gz KEBNZTWGBLYNBP-LBPRGKRZSA-N -1 3 356.813 3.295 20 0 FGADHM O=C(c1cccc2nn[n-]c21)N1CCC[C@H](Oc2ccccc2Cl)C1 ZINC000527111171 503683652 /nfs/dbraw/zinc/68/36/52/503683652.db2.gz KEBNZTWGBLYNBP-LBPRGKRZSA-N -1 3 356.813 3.295 20 0 FGADHM O=C(c1cccc2n[n-]nc21)N1CCC[C@H](Oc2ccccc2Cl)C1 ZINC000527111171 503683656 /nfs/dbraw/zinc/68/36/56/503683656.db2.gz KEBNZTWGBLYNBP-LBPRGKRZSA-N -1 3 356.813 3.295 20 0 FGADHM CC(=Cc1nc(-c2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)no1)c1ccccc1 ZINC000546242552 503685606 /nfs/dbraw/zinc/68/56/06/503685606.db2.gz POBNTBKIYQXPNB-JNCYCUAHSA-N -1 3 374.400 3.352 20 0 FGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1ccnc(OC2CCCCC2)c1 ZINC000540138363 503685670 /nfs/dbraw/zinc/68/56/70/503685670.db2.gz NFMFMHVXVZHRJR-UHFFFAOYSA-N -1 3 364.409 3.226 20 0 FGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1ccnc(OC2CCCCC2)c1 ZINC000540138363 503685675 /nfs/dbraw/zinc/68/56/75/503685675.db2.gz NFMFMHVXVZHRJR-UHFFFAOYSA-N -1 3 364.409 3.226 20 0 FGADHM COc1cccc([C@H]2CN(C(=O)c3ccc4n[n-]nc4c3)CC2(C)C)c1 ZINC000529728195 503686257 /nfs/dbraw/zinc/68/62/57/503686257.db2.gz OFRHBCVMSCEIFQ-MRXNPFEDSA-N -1 3 350.422 3.232 20 0 FGADHM CCN=c1[n-]c(C(=O)N2C[C@@H](c3cccc(OC)c3)C(C)(C)C2)cs1 ZINC000529730666 503687294 /nfs/dbraw/zinc/68/72/94/503687294.db2.gz MWDLTBSIPYFURK-HNNXBMFYSA-N -1 3 359.495 3.271 20 0 FGADHM O=c1nc(Cc2noc(-c3cccnc3)n2)[n-]c2scc(C3CC3)c21 ZINC000546281672 503698045 /nfs/dbraw/zinc/69/80/45/503698045.db2.gz AAAWISQJXQBBHG-UHFFFAOYSA-N -1 3 351.391 3.310 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)NCC1CCN(c2ccccc2)CC1 ZINC000527162522 503702096 /nfs/dbraw/zinc/70/20/96/503702096.db2.gz PEJRDQLBYYAOMB-UHFFFAOYSA-N -1 3 357.429 3.247 20 0 FGADHM 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503720957 /nfs/dbraw/zinc/72/09/57/503720957.db2.gz NORQXEACABJJMT-INIZCTEOSA-N -1 3 368.462 3.296 20 0 FGADHM O=C(Nc1nnc(-c2c(F)cccc2F)[n-]1)c1ccc2nsnc2c1 ZINC000543374355 503743744 /nfs/dbraw/zinc/74/37/44/503743744.db2.gz NMTBSHZDARTVQZ-UHFFFAOYSA-N -1 3 358.333 3.007 20 0 FGADHM O=C(Nc1nc(-c2c(F)cccc2F)n[n-]1)c1ccc2nsnc2c1 ZINC000543374355 503743750 /nfs/dbraw/zinc/74/37/50/503743750.db2.gz NMTBSHZDARTVQZ-UHFFFAOYSA-N -1 3 358.333 3.007 20 0 FGADHM O=C(Nc1n[n-]c(-c2c(F)cccc2F)n1)c1ccc2nsnc2c1 ZINC000543374355 503743753 /nfs/dbraw/zinc/74/37/53/503743753.db2.gz NMTBSHZDARTVQZ-UHFFFAOYSA-N -1 3 358.333 3.007 20 0 FGADHM O=S(=O)([N-][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)c1cccc(Cl)c1F ZINC000533180286 503751466 /nfs/dbraw/zinc/75/14/66/503751466.db2.gz JKGYQRRHXBSNQT-KMUNFCNLSA-N -1 3 359.850 3.105 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-][C@H](C)Cc2cccc(Br)c2)o1 ZINC000536895958 503752704 /nfs/dbraw/zinc/75/27/04/503752704.db2.gz FLOFJASQVJCPQO-SNVBAGLBSA-N -1 3 358.257 3.260 20 0 FGADHM 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370.449 3.199 20 0 FGADHM CC[C@H]1CN(C(=O)c2ccc(C(=O)c3cccc([O-])c3)cc2)CCCO1 ZINC000546699916 503842941 /nfs/dbraw/zinc/84/29/41/503842941.db2.gz XJYKXAPYWBEMHF-IBGZPJMESA-N -1 3 353.418 3.264 20 0 FGADHM CCCCN(C)CCNC(=O)N=c1nc(-c2ccccc2Cl)[n-]s1 ZINC000543658950 503844060 /nfs/dbraw/zinc/84/40/60/503844060.db2.gz WYQVFLXHTXMLIP-UHFFFAOYSA-N -1 3 367.906 3.134 20 0 FGADHM O=C([N-]c1sc2c(c1C(=O)C1CC1)CCC2)c1noc2c1COCC2 ZINC000527608344 503853966 /nfs/dbraw/zinc/85/39/66/503853966.db2.gz TVCJSCXREUYXGB-UHFFFAOYSA-N -1 3 358.419 3.143 20 0 FGADHM Cc1cc(C(=O)NCc2cc3c(c(Br)c2)OCO3)ccc1[O-] ZINC000543715839 503864641 /nfs/dbraw/zinc/86/46/41/503864641.db2.gz KAFWBJXZKGUCCC-UHFFFAOYSA-N -1 3 364.195 3.122 20 0 FGADHM CCc1nc([C@@H](C)[N-]S(=O)(=O)c2ccc(Br)o2)cs1 ZINC000546778444 503876209 /nfs/dbraw/zinc/87/62/09/503876209.db2.gz ZFXWUFIHBUNQRL-SSDOTTSWSA-N -1 3 365.274 3.101 20 0 FGADHM O=C(c1cccc([O-])c1)N1CCN(CCCOc2ccc(Cl)cc2)CC1 ZINC000533531345 503877474 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CC(C)SCC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000533617832 503903206 /nfs/dbraw/zinc/90/32/06/503903206.db2.gz ZYBFJCOHYQESNB-UHFFFAOYSA-N -1 3 370.902 3.364 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)c2ccc(N3CCCC3)nc2)c1-c1ccc(F)cc1 ZINC000530274128 503903634 /nfs/dbraw/zinc/90/36/34/503903634.db2.gz PBRKOGXUOMQXQT-UHFFFAOYSA-N -1 3 365.412 3.194 20 0 FGADHM CCc1cc(C(=O)N=c2cc(-c3cc(Cl)ccc3OC)[n-][nH]2)c(C)nn1 ZINC000546863435 503907209 /nfs/dbraw/zinc/90/72/09/503907209.db2.gz DRDXBMRUOJFMOT-UHFFFAOYSA-N -1 3 371.828 3.074 20 0 FGADHM Cc1ncc(S(=O)(=O)[N-][C@@H]2CCCN(c3ccccc3Cl)C2)s1 ZINC000533633864 503908241 /nfs/dbraw/zinc/90/82/41/503908241.db2.gz JXJQPSAYRCXOQT-GFCCVEGCSA-N -1 3 371.915 3.052 20 0 FGADHM Cc1ncc(S(=O)(=O)[N-]CCCOc2ccc3ccccc3c2)s1 ZINC000533634758 503908360 /nfs/dbraw/zinc/90/83/60/503908360.db2.gz OETZJTOLQQMDBB-UHFFFAOYSA-N -1 3 362.476 3.352 20 0 FGADHM CCc1cccc2c(CC[N-]S(=O)(=O)c3cncc(Cl)c3)c[nH]c21 ZINC000533633173 503908604 /nfs/dbraw/zinc/90/86/04/503908604.db2.gz QSHXVFKHHWISFG-UHFFFAOYSA-N -1 3 363.870 3.300 20 0 FGADHM O=c1cc(CS(=O)(=O)Cc2cccc3ccccc32)nc(C2CC2)[n-]1 ZINC000518127982 503913414 /nfs/dbraw/zinc/91/34/14/503913414.db2.gz UVSDGEPNWCOLSW-UHFFFAOYSA-N -1 3 354.431 3.328 20 0 FGADHM CC1CCN(C(=O)CSCc2cc(=O)[n-]c(-c3ccccc3)n2)CC1 ZINC000518142803 503915267 /nfs/dbraw/zinc/91/52/67/503915267.db2.gz CJVMJMLNOXFQSA-UHFFFAOYSA-N -1 3 357.479 3.341 20 0 FGADHM CCc1cccc(C(=O)N2CCC(O)(Cc3cccc(C)c3)CC2)c1[O-] ZINC000530306042 503917418 /nfs/dbraw/zinc/91/74/18/503917418.db2.gz OGVUHUDSLIBKGD-UHFFFAOYSA-N -1 3 353.462 3.473 20 0 FGADHM Cc1ccc(OCCCC(=O)N=c2cc(-c3cccnc3)[n-][nH]2)cc1C ZINC000533675288 503918546 /nfs/dbraw/zinc/91/85/46/503918546.db2.gz RKRAPVNBFNIQOW-UHFFFAOYSA-N -1 3 350.422 3.308 20 0 FGADHM CSc1ccccc1CC(=O)Nc1cc(C)ccc1[N-]S(C)(=O)=O ZINC000537471541 503925996 /nfs/dbraw/zinc/92/59/96/503925996.db2.gz OIEHVCVRGOHREE-UHFFFAOYSA-N -1 3 364.492 3.270 20 0 FGADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCC[C@@H](OCC(F)(F)F)C1 ZINC000530331868 503928068 /nfs/dbraw/zinc/92/80/68/503928068.db2.gz GPFMELCFFLRNOE-CYBMUJFWSA-N -1 3 363.351 3.424 20 0 FGADHM CC(C)CC1(c2nc(-c3cccc([C@]4(C)NC(=O)[N-]C4=O)c3)no2)CCC1 ZINC000518267755 503939497 /nfs/dbraw/zinc/93/94/97/503939497.db2.gz NRNRNCITOGAUAJ-IBGZPJMESA-N -1 3 368.437 3.259 20 0 FGADHM Cc1nnc(C[N-]S(=O)(=O)c2c(C)cc(C(C)(C)C)cc2C)s1 ZINC000540942369 503948093 /nfs/dbraw/zinc/94/80/93/503948093.db2.gz WPVZFUQAISCAMX-UHFFFAOYSA-N -1 3 353.513 3.239 20 0 FGADHM CO[C@H](C)CCC(=O)N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1 ZINC000543954859 503949646 /nfs/dbraw/zinc/94/96/46/503949646.db2.gz UCAVDRKETYJUNQ-SECBINFHSA-N -1 3 370.222 3.154 20 0 FGADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)C[C@@H]2CCC(=O)[C@@H]2C)[nH][n-]1 ZINC000530421686 503958976 /nfs/dbraw/zinc/95/89/76/503958976.db2.gz IXWASPANLLFNDP-MNOVXSKESA-N -1 3 361.829 3.104 20 0 FGADHM CS(=O)(=O)[N-]c1ccc(-c2noc(-c3ccnc4ccccc43)n2)cc1 ZINC000547040448 503964779 /nfs/dbraw/zinc/96/47/79/503964779.db2.gz ACSJEOCMENHPFE-UHFFFAOYSA-N -1 3 366.402 3.323 20 0 FGADHM CCCN(C(=O)c1cc(=O)[n-]c(C2CC2)n1)[C@H]1CCc2ccccc2C1 ZINC000518394110 503972931 /nfs/dbraw/zinc/97/29/31/503972931.db2.gz OEAZKWNCGNKSCO-KRWDZBQOSA-N -1 3 351.450 3.469 20 0 FGADHM Cc1nc(-c2ccc(NC(=O)N[C@@]3(C)CCO[C@@H]3C3CC3)cc2)cc(=O)[n-]1 ZINC000544077884 503998915 /nfs/dbraw/zinc/99/89/15/503998915.db2.gz AWHDEKBSEBSRLI-QUCCMNQESA-N -1 3 368.437 3.237 20 0 FGADHM C[C@@H]1C[C@H]1c1noc(-c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)n1 ZINC000547182132 504012295 /nfs/dbraw/zinc/01/22/95/504012295.db2.gz LZOHBEMIVKROLK-MWLCHTKSSA-N -1 3 362.386 3.128 20 0 FGADHM O=S(=O)(CCC1CC1)[N-]c1cnn(-c2ccccc2Br)c1 ZINC000537738319 504023040 /nfs/dbraw/zinc/02/30/40/504023040.db2.gz LKAOFDMYKYOETA-UHFFFAOYSA-N -1 3 370.272 3.177 20 0 FGADHM C[C@@H]1CCC[C@H](OCC(=O)Nc2nnc(-c3c(F)cccc3F)[n-]2)C1 ZINC000530639843 504035920 /nfs/dbraw/zinc/03/59/20/504035920.db2.gz FDWCYBNVTFJTNW-MNOVXSKESA-N -1 3 350.369 3.284 20 0 FGADHM C[C@@H]1CCC[C@H](OCC(=O)Nc2nc(-c3c(F)cccc3F)n[n-]2)C1 ZINC000530639843 504035926 /nfs/dbraw/zinc/03/59/26/504035926.db2.gz FDWCYBNVTFJTNW-MNOVXSKESA-N -1 3 350.369 3.284 20 0 FGADHM C[C@@H]1CCC[C@H](OCC(=O)Nc2n[n-]c(-c3c(F)cccc3F)n2)C1 ZINC000530639843 504035929 /nfs/dbraw/zinc/03/59/29/504035929.db2.gz FDWCYBNVTFJTNW-MNOVXSKESA-N -1 3 350.369 3.284 20 0 FGADHM Cc1nn(Cc2ccccc2Cl)c(C)c1CNCc1cnc(C)[n-]c1=O ZINC000544179379 504036920 /nfs/dbraw/zinc/03/69/20/504036920.db2.gz PCEYIHJPORMBIS-UHFFFAOYSA-N -1 3 371.872 3.295 20 0 FGADHM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(C)cc1)c1ccc2ccccc2c1 ZINC000541190531 504036923 /nfs/dbraw/zinc/03/69/23/504036923.db2.gz QZUSIDNLSNMJLB-LJQANCHMSA-N -1 3 369.442 3.341 20 0 FGADHM CCOC(=O)c1ccc(NC(=O)[C@@H](C)Oc2cccc(C(C)=O)c2)c([O-])c1 ZINC000534093943 504038935 /nfs/dbraw/zinc/03/89/35/504038935.db2.gz IJZFURMXBSDXTD-CYBMUJFWSA-N -1 3 371.389 3.178 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H]3[C@@H](C)[C@@H](C)O[C@H]3C)c2)n1 ZINC000528032004 504047420 /nfs/dbraw/zinc/04/74/20/504047420.db2.gz ZRSJSSVVWSSANV-YFQWEKLQSA-N -1 3 355.438 3.410 20 0 FGADHM Cc1ccc(CN(Cc2ccco2)C(=O)c2cc(=O)[n-]c(N(C)C)n2)s1 ZINC000547326127 504063079 /nfs/dbraw/zinc/06/30/79/504063079.db2.gz ZHTBDQPGDQDIMA-UHFFFAOYSA-N -1 3 372.450 3.054 20 0 FGADHM COCCOc1ccc(-c2nc3cc(OC)cc(OC)c3c(=O)[n-]2)cc1F ZINC000541258098 504063803 /nfs/dbraw/zinc/06/38/03/504063803.db2.gz SJZWJFAAYJUWEP-UHFFFAOYSA-N -1 3 374.368 3.184 20 0 FGADHM Cc1ncc(CNC(=O)CCC(=O)c2cc(Cl)sc2Cl)c(=O)[n-]1 ZINC000544260848 504065002 /nfs/dbraw/zinc/06/50/02/504065002.db2.gz BXNZGXYERQYBGK-UHFFFAOYSA-N -1 3 374.249 3.138 20 0 FGADHM Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)NCc1cnc(C)[n-]c1=O ZINC000544272301 504068618 /nfs/dbraw/zinc/06/86/18/504068618.db2.gz FNSIYJWNIPVBHO-AWEZNQCLSA-N -1 3 369.469 3.500 20 0 FGADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H](C)c1nnc(C(C)C)[nH]1 ZINC000534243676 504081526 /nfs/dbraw/zinc/08/15/26/504081526.db2.gz DIWNMRYPVOFZEY-JTQLQIEISA-N -1 3 366.418 3.161 20 0 FGADHM Cc1ccc(F)c(NC(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)c1 ZINC000530781256 504086175 /nfs/dbraw/zinc/08/61/75/504086175.db2.gz STTJANGGTJZYRX-UHFFFAOYSA-N -1 3 366.396 3.159 20 0 FGADHM COc1ccc(-c2cnc(CCC(=O)Nc3nc(C)ccc3[O-])o2)cc1 ZINC000544324745 504088507 /nfs/dbraw/zinc/08/85/07/504088507.db2.gz BKCBIMOVJZOLDJ-UHFFFAOYSA-N -1 3 353.378 3.331 20 0 FGADHM Cc1ccc([O-])c(NC(=O)COc2ccc(Oc3ccccn3)cc2)n1 ZINC000544345751 504096670 /nfs/dbraw/zinc/09/66/70/504096670.db2.gz SJPZRMPYLKQMGT-UHFFFAOYSA-N -1 3 351.362 3.300 20 0 FGADHM Cc1ncc(CNC(=O)N[C@H]2CC3(CCCC3)Oc3ccccc32)c(=O)[n-]1 ZINC000541341698 504097786 /nfs/dbraw/zinc/09/77/86/504097786.db2.gz ZAFYJABIXFKYEN-INIZCTEOSA-N -1 3 368.437 3.126 20 0 FGADHM COc1cc(NC(=O)c2c[n-]c3ccc(C)cc3c2=O)cc(OC)c1OC ZINC000544374552 504107576 /nfs/dbraw/zinc/10/75/76/504107576.db2.gz VBGWVQDBJUCKQN-UHFFFAOYSA-N -1 3 368.389 3.115 20 0 FGADHM CCOC(C)(C)C[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000544372188 504107776 /nfs/dbraw/zinc/10/77/76/504107776.db2.gz WAPBBMJPDUONBO-UHFFFAOYSA-N -1 3 370.696 3.196 20 0 FGADHM Cc1cccc(C(C)C)c1NC(=O)CC[N-]S(=O)(=O)c1cccs1 ZINC000530889950 504120398 /nfs/dbraw/zinc/12/03/98/504120398.db2.gz QRMIMKLCKGHOAC-UHFFFAOYSA-N -1 3 366.508 3.487 20 0 FGADHM CCCC[C@@H](CCC)NC(=O)c1cc(C2CC2)nc2c1c(=O)[n-]c(=O)n2C ZINC000530898080 504123455 /nfs/dbraw/zinc/12/34/55/504123455.db2.gz GSXOENFHOGHITG-CYBMUJFWSA-N -1 3 372.469 3.000 20 0 FGADHM Cc1ncc(CNC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c(=O)[n-]1 ZINC000541426786 504126120 /nfs/dbraw/zinc/12/61/20/504126120.db2.gz APCYAWCNTBEPMO-UHFFFAOYSA-N -1 3 360.723 3.485 20 0 FGADHM CC[C@H](C)[C@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)C(=O)OC(C)(C)C ZINC000534411828 504134206 /nfs/dbraw/zinc/13/42/06/504134206.db2.gz RLIWRTYSFSQCCA-SJCJKPOMSA-N -1 3 358.438 3.014 20 0 FGADHM CCCN(C(=O)CCc1c(C)nc(C)[n-]c1=O)[C@@H]1CCCc2cccnc21 ZINC000547540918 504143592 /nfs/dbraw/zinc/14/35/92/504143592.db2.gz YJCRCYBFLAILFV-GOSISDBHSA-N -1 3 368.481 3.443 20 0 FGADHM COC1CCN(C2(CN=c3nc(C(C)(C)C)[n-]s3)CCCC2)CC1 ZINC000547635798 504163859 /nfs/dbraw/zinc/16/38/59/504163859.db2.gz DIPMRENRCPCPTC-UHFFFAOYSA-N -1 3 352.548 3.093 20 0 FGADHM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)c2cccc3c(C)ccnc32)o1 ZINC000547640372 504164843 /nfs/dbraw/zinc/16/48/43/504164843.db2.gz AGDKQGWXXVADBL-MRXNPFEDSA-N -1 3 374.462 3.365 20 0 FGADHM Cc1nc(C(=O)Nc2nc(C)ccc2[O-])nn1-c1ccccc1C(C)C ZINC000541532770 504165949 /nfs/dbraw/zinc/16/59/49/504165949.db2.gz OFBBLCKESHYMRJ-UHFFFAOYSA-N -1 3 351.410 3.360 20 0 FGADHM C[C@@H]1CCN(C(=O)CNC(=O)c2cccc([O-])c2)c2ccccc2S1 ZINC000547651049 504168758 /nfs/dbraw/zinc/16/87/58/504168758.db2.gz ZRFDUMKUYWVVCU-CYBMUJFWSA-N -1 3 356.447 3.040 20 0 FGADHM CC(C)(C)[C@H](NC(=O)CNC(=O)c1ccc([O-])cc1)c1ccc(F)cc1 ZINC000531042368 504170311 /nfs/dbraw/zinc/17/03/11/504170311.db2.gz SGVYBHYNBQRONT-GOSISDBHSA-N -1 3 358.413 3.165 20 0 FGADHM Cn1[n-]c(=NC(=O)N2CCC[C@H]2CCC2CCCC2)cc1OC(F)F ZINC000547674498 504177315 /nfs/dbraw/zinc/17/73/15/504177315.db2.gz KDFFMWHTDSAPLK-ZDUSSCGKSA-N -1 3 356.417 3.410 20 0 FGADHM COc1ccc([O-])c(C(=O)N(Cc2ccccc2OC)C[C@H]2CCCO2)c1 ZINC000534570867 504178106 /nfs/dbraw/zinc/17/81/06/504178106.db2.gz BCYJMVJTFFOXQQ-QGZVFWFLSA-N -1 3 371.433 3.231 20 0 FGADHM O=C(Cc1ccc(Br)cc1[O-])NCc1nc(C2CC2)cs1 ZINC000547751047 504211040 /nfs/dbraw/zinc/21/10/40/504211040.db2.gz OPBPIWVIQHAMEC-UHFFFAOYSA-N -1 3 367.268 3.348 20 0 FGADHM CC1(C)CCC[C@@H]1[N-]S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2 ZINC000531169926 504213594 /nfs/dbraw/zinc/21/35/94/504213594.db2.gz QVNYNVULPIQHPD-AWEZNQCLSA-N -1 3 356.875 3.082 20 0 FGADHM COc1cccc([C@H](C[N-]S(=O)(=O)c2ccc(Cl)cc2F)OC)c1 ZINC000528449731 504229543 /nfs/dbraw/zinc/22/95/43/504229543.db2.gz PUNJHCGAKFVLQD-HNNXBMFYSA-N -1 3 373.833 3.154 20 0 FGADHM CC[C@@](C)([N-]S(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2)C(F)(F)F ZINC000547820911 504236965 /nfs/dbraw/zinc/23/69/65/504236965.db2.gz CCXOATVPPVMMDC-OAHLLOKOSA-N -1 3 372.368 3.415 20 0 FGADHM Cc1noc(C2CCC([N-]S(=O)(=O)c3ccc(Cl)s3)CC2)n1 ZINC000531241489 504238658 /nfs/dbraw/zinc/23/86/58/504238658.db2.gz JEDZJTAXYYQCEY-UHFFFAOYSA-N -1 3 361.876 3.098 20 0 FGADHM Cc1cccc([C@@H]2CCCCN2C(=O)CNC(=O)c2ccc([O-])cc2)c1C ZINC000531254178 504245000 /nfs/dbraw/zinc/24/50/00/504245000.db2.gz UBQYXSCGVZDZGM-FQEVSTJZSA-N -1 3 366.461 3.493 20 0 FGADHM O=S(=O)([N-]CC[C@H](O)C(F)(F)F)c1c(Cl)ccc2ccccc21 ZINC000541770196 504248283 /nfs/dbraw/zinc/24/82/83/504248283.db2.gz DBPCHNDFDRNQDN-LBPRGKRZSA-N -1 3 367.776 3.085 20 0 FGADHM Cc1ccccc1-c1cc(=NC(=O)c2cnc([C@H]3CCCO3)s2)[nH][n-]1 ZINC000534815439 504249173 /nfs/dbraw/zinc/24/91/73/504249173.db2.gz PRKAFPSZKDMNRR-CQSZACIVSA-N -1 3 354.435 3.367 20 0 FGADHM O=S(=O)([N-][C@H]1CCN(c2ccc(Cl)cc2)C1)c1ccc(F)cc1F ZINC000538454061 504250363 /nfs/dbraw/zinc/25/03/63/504250363.db2.gz IKQWMXZNMIIVAE-ZDUSSCGKSA-N -1 3 372.824 3.175 20 0 FGADHM CCOC(=O)c1ccc(NC(=O)CSCC(=O)c2ccccc2)c([O-])c1 ZINC000534826021 504252511 /nfs/dbraw/zinc/25/25/11/504252511.db2.gz GZRQIODZTVOTTG-UHFFFAOYSA-N -1 3 373.430 3.124 20 0 FGADHM CCN1C(=O)CCc2cc(NC(=O)c3c[n-]nc3-c3ccncc3)ccc21 ZINC000544777714 504253630 /nfs/dbraw/zinc/25/36/30/504253630.db2.gz YYVMYTIMIPKUGH-UHFFFAOYSA-N -1 3 361.405 3.023 20 0 FGADHM CCN1C(=O)CCc2cc(NC(=O)c3cn[n-]c3-c3ccncc3)ccc21 ZINC000544777714 504253633 /nfs/dbraw/zinc/25/36/33/504253633.db2.gz YYVMYTIMIPKUGH-UHFFFAOYSA-N -1 3 361.405 3.023 20 0 FGADHM COCc1nnc(-c2cccc(C(=O)Nc3ccc(Cl)cc3[O-])c2)o1 ZINC000538496086 504263299 /nfs/dbraw/zinc/26/32/99/504263299.db2.gz RVTPYTHRIARXAP-UHFFFAOYSA-N -1 3 359.769 3.494 20 0 FGADHM O=S(=O)([N-][C@@H]1[C@@H]2Cc3c(cccc3Cl)[C@@H]21)c1cncc(Cl)c1 ZINC000528552100 504270007 /nfs/dbraw/zinc/27/00/07/504270007.db2.gz HDUCWDWPORRMHZ-VHDGCEQUSA-N -1 3 355.246 3.005 20 0 FGADHM C[C@@H]1CCC[C@H](C)N1CCNC(=O)N=c1nc(-c2ccccc2)[n-]s1 ZINC000531341937 504272160 /nfs/dbraw/zinc/27/21/60/504272160.db2.gz XZTODMJPOZTZGL-OKILXGFUSA-N -1 3 359.499 3.011 20 0 FGADHM C[C@H]1CC[C@@H](C(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)C1 ZINC000538525947 504274632 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Cc1cc(C(=O)N=c2cc(-c3ccncc3)[n-][nH]2)c(C)n1[C@@H]1CCCOC1 ZINC000629953992 522544804 /nfs/dbraw/zinc/54/48/04/522544804.db2.gz DQBRWMJGYFUTKG-MRXNPFEDSA-N -1 3 365.437 3.494 20 0 FGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@H]1CC(=O)N(c2ccc(F)c(F)c2)C1 ZINC000630012012 522581093 /nfs/dbraw/zinc/58/10/93/522581093.db2.gz QXNVPKRIJWDUJN-NSHDSACASA-N -1 3 362.380 3.111 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)c2ccn(C3CCOCC3)n2)c1-c1ccccc1F ZINC000630024756 522588760 /nfs/dbraw/zinc/58/87/60/522588760.db2.gz QSICGQXMKMHWPG-UHFFFAOYSA-N -1 3 369.400 3.325 20 0 FGADHM CCN(CC)Cc1ccc(C(=O)N=c2[n-]nc([C@@H]3CCCO3)s2)cc1 ZINC000636352429 522939773 /nfs/dbraw/zinc/93/97/73/522939773.db2.gz JYGDLZLMZZWCQH-HNNXBMFYSA-N -1 3 360.483 3.484 20 0 FGADHM Cc1cc(C(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)c(C)n1[C@H]1CCCOC1 ZINC000628032371 523281630 /nfs/dbraw/zinc/28/16/30/523281630.db2.gz YBVNKZGMVPQLJL-WMLDXEAASA-N -1 3 358.442 3.283 20 0 FGADHM C[C@@H](NC(=O)C1CCCC1)C(=O)N=c1cc(-c2cccc(Cl)c2)[n-][nH]1 ZINC000622891089 523532936 /nfs/dbraw/zinc/53/29/36/523532936.db2.gz FDYYUCBBFCHRCE-LLVKDONJSA-N -1 3 360.845 3.364 20 0 FGADHM CC[C@H](C[C@H](C)CO)NC(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482188528 561249925 /nfs/dbraw/zinc/24/99/25/561249925.db2.gz RKFMZOPUONKDGK-CMPLNLGQSA-N -1 3 369.263 3.015 20 0 FGADHM Cc1c(C(=O)N=c2cc(OC(F)F)n(C)[n-]2)cnn1-c1cccc(C)c1 ZINC000490921914 561440417 /nfs/dbraw/zinc/44/04/17/561440417.db2.gz ARZFXTWZODHNKZ-UHFFFAOYSA-N -1 3 361.352 3.076 20 0 FGADHM CCOc1ccccc1[C@@](N)(C(=O)N=c1[nH][n-]c(CC)c1C)C(F)(F)F ZINC000471300748 561002092 /nfs/dbraw/zinc/00/20/92/561002092.db2.gz ORVBVBZPSYAMLM-MRXNPFEDSA-N -1 3 370.375 3.034 20 0 FGADHM CC(C)(C)Oc1ccccc1NC(=O)C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000472970832 561039141 /nfs/dbraw/zinc/03/91/41/561039141.db2.gz RYNCNZQMTMCGNY-AWEZNQCLSA-N -1 3 372.425 3.016 20 0 FGADHM Cc1cc(C)c2ncc(C(=O)N=c3cc([C@H]4CCCOC4)[nH][nH]3)c([O-])c2c1 ZINC000473836662 561058621 /nfs/dbraw/zinc/05/86/21/561058621.db2.gz PDJCEUPRWVHVAY-ZDUSSCGKSA-N -1 3 366.421 3.014 20 0 FGADHM CC[C@H]1CC[C@@H](C(=O)N=c2[nH][n-]c(C)c2-c2ccc3c(c2)OCCO3)O1 ZINC000533403227 562507651 /nfs/dbraw/zinc/50/76/51/562507651.db2.gz QEYOGNFDHJMHHR-ZFWWWQNUSA-N -1 3 357.410 3.052 20 0 FGADHM COCCOc1cc(C(=O)N=c2cc(-c3cc(F)cc(F)c3)[n-][nH]2)ccn1 ZINC000540772257 562592771 /nfs/dbraw/zinc/59/27/71/562592771.db2.gz GWTJJXJAJFELFK-UHFFFAOYSA-N -1 3 374.347 3.027 20 0 FGADHM CCOC(=O)c1ncc(NC(=O)c2ccc(Oc3cccnc3)cc2)[n-]1 ZINC000617876572 568166057 /nfs/dbraw/zinc/16/60/57/568166057.db2.gz VGIWRYUVPRJVQU-UHFFFAOYSA-N -1 3 352.350 3.026 20 0 FGADHM CCOC(=O)c1nc(NC(=O)c2ccc(Oc3cccnc3)cc2)c[n-]1 ZINC000617876572 568166059 /nfs/dbraw/zinc/16/60/59/568166059.db2.gz VGIWRYUVPRJVQU-UHFFFAOYSA-N -1 3 352.350 3.026 20 0 FGADHM Cc1nc(C2([N-]S(=O)(=O)CC34CCC(CC3)CC4)CCCC2)no1 ZINC000330347449 568285290 /nfs/dbraw/zinc/28/52/90/568285290.db2.gz HQUPUFPFFSROPO-UHFFFAOYSA-N -1 3 353.488 3.037 20 0 FGADHM CSc1cc(C)c(C(=O)Nc2cc(C)ccc2[N-]S(C)(=O)=O)o1 ZINC000669204972 568648908 /nfs/dbraw/zinc/64/89/08/568648908.db2.gz MOQDBFAHOHEYNB-UHFFFAOYSA-N -1 3 354.453 3.242 20 0 FGADHM CC[C@H](OC(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1F ZINC000736382655 598823735 /nfs/dbraw/zinc/82/37/35/598823735.db2.gz NEPORKDZQSCSHH-INIZCTEOSA-N -1 3 358.348 3.382 20 0 FGADHM CC[C@H](OC(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1F ZINC000736382655 598823737 /nfs/dbraw/zinc/82/37/37/598823737.db2.gz NEPORKDZQSCSHH-INIZCTEOSA-N -1 3 358.348 3.382 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H](SC)c1ccccc1 ZINC000736633966 598830383 /nfs/dbraw/zinc/83/03/83/598830383.db2.gz FXBOARFNWQPRDL-MRXNPFEDSA-N -1 3 369.450 3.308 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H](SC)c1ccccc1 ZINC000736633966 598830385 /nfs/dbraw/zinc/83/03/85/598830385.db2.gz FXBOARFNWQPRDL-MRXNPFEDSA-N -1 3 369.450 3.308 20 0 FGADHM Cc1nn(-c2ccc(-c3nn[n-]n3)cc2)c(NC(=O)C[C@@H](C)C2CC2)c1C ZINC000737502761 598839394 /nfs/dbraw/zinc/83/93/94/598839394.db2.gz JGCGKJKRGCORQL-LLVKDONJSA-N -1 3 365.441 3.044 20 0 FGADHM CC[C@@H](O)c1ccc(OCCCOc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736381065 598857751 /nfs/dbraw/zinc/85/77/51/598857751.db2.gz HIDJJDIWBOTODF-GOSISDBHSA-N -1 3 354.410 3.158 20 0 FGADHM CC[C@H](O)c1ccc(OCCCOc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736381067 598857810 /nfs/dbraw/zinc/85/78/10/598857810.db2.gz HIDJJDIWBOTODF-SFHVURJKSA-N -1 3 354.410 3.158 20 0 FGADHM Cc1oc(C)c(C(=O)O[C@H](C)COc2cccc(-c3nnn[n-]3)c2)c1C ZINC000737546572 598883916 /nfs/dbraw/zinc/88/39/16/598883916.db2.gz DFQMJFNJIIKYQB-SNVBAGLBSA-N -1 3 356.382 3.009 20 0 FGADHM Cc1oc(C)c(C(=O)O[C@H](C)COc2cccc(-c3nn[n-]n3)c2)c1C ZINC000737546572 598883918 /nfs/dbraw/zinc/88/39/18/598883918.db2.gz DFQMJFNJIIKYQB-SNVBAGLBSA-N -1 3 356.382 3.009 20 0 FGADHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)C=Cc1cccc(F)c1 ZINC000736038768 598887712 /nfs/dbraw/zinc/88/77/12/598887712.db2.gz XJXJBNYCNFWSNK-LJTDUEICSA-N -1 3 368.368 3.030 20 0 FGADHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)C=Cc1cccc(F)c1 ZINC000736038768 598887713 /nfs/dbraw/zinc/88/77/13/598887713.db2.gz XJXJBNYCNFWSNK-LJTDUEICSA-N -1 3 368.368 3.030 20 0 FGADHM O=C(COc1ccccc1-c1nnn[n-]1)OCc1ccc2ccccc2c1 ZINC000737929942 598894151 /nfs/dbraw/zinc/89/41/51/598894151.db2.gz JYEDSYIGAYIIHG-UHFFFAOYSA-N -1 3 360.373 3.142 20 0 FGADHM O=C(COc1ccccc1-c1nn[n-]n1)OCc1ccc2ccccc2c1 ZINC000737929942 598894152 /nfs/dbraw/zinc/89/41/52/598894152.db2.gz JYEDSYIGAYIIHG-UHFFFAOYSA-N -1 3 360.373 3.142 20 0 FGADHM CC(C)[C@H](Cc1ccccc1)C(=O)OCc1ccccc1-c1nnn[n-]1 ZINC000735712806 598901662 /nfs/dbraw/zinc/90/16/62/598901662.db2.gz UQTQIIPNKHXMHS-SFHVURJKSA-N -1 3 350.422 3.425 20 0 FGADHM CC(C)[C@H](Cc1ccccc1)C(=O)OCc1ccccc1-c1nn[n-]n1 ZINC000735712806 598901664 /nfs/dbraw/zinc/90/16/64/598901664.db2.gz UQTQIIPNKHXMHS-SFHVURJKSA-N -1 3 350.422 3.425 20 0 FGADHM CC(C)[C@H](Cc1ccccc1)C(=O)OCc1cccc(-c2nnn[n-]2)c1 ZINC000735707799 598901772 /nfs/dbraw/zinc/90/17/72/598901772.db2.gz DJSFAOLZVDREGH-SFHVURJKSA-N -1 3 350.422 3.425 20 0 FGADHM CC(C)[C@H](Cc1ccccc1)C(=O)OCc1cccc(-c2nn[n-]n2)c1 ZINC000735707799 598901774 /nfs/dbraw/zinc/90/17/74/598901774.db2.gz DJSFAOLZVDREGH-SFHVURJKSA-N -1 3 350.422 3.425 20 0 FGADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCCCC[C@@H]1C ZINC000735734484 598906919 /nfs/dbraw/zinc/90/69/19/598906919.db2.gz LWADWISSVBNVPU-WMLDXEAASA-N -1 3 357.458 3.061 20 0 FGADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCCCC[C@@H]1C ZINC000735734484 598906920 /nfs/dbraw/zinc/90/69/20/598906920.db2.gz LWADWISSVBNVPU-WMLDXEAASA-N -1 3 357.458 3.061 20 0 FGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)N1CCC[C@@]2(CC=CCC2)C1 ZINC000738100886 598925436 /nfs/dbraw/zinc/92/54/36/598925436.db2.gz UGZNTBMFZMQPAQ-IBGZPJMESA-N -1 3 370.432 3.038 20 0 FGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)N1CCC[C@@]2(CC=CCC2)C1 ZINC000738100886 598925437 /nfs/dbraw/zinc/92/54/37/598925437.db2.gz UGZNTBMFZMQPAQ-IBGZPJMESA-N -1 3 370.432 3.038 20 0 FGADHM COc1ccccc1C[C@H]1CCCN1c1ncc(-c2nnn[n-]2)cc1Cl ZINC000737154073 598939679 /nfs/dbraw/zinc/93/96/79/598939679.db2.gz XNXSRFRNMFJDTA-CQSZACIVSA-N -1 3 370.844 3.135 20 0 FGADHM COc1ccccc1C[C@H]1CCCN1c1ncc(-c2nn[n-]n2)cc1Cl ZINC000737154073 598939680 /nfs/dbraw/zinc/93/96/80/598939680.db2.gz XNXSRFRNMFJDTA-CQSZACIVSA-N -1 3 370.844 3.135 20 0 FGADHM CCCN(Cc1ccc(OC)cc1)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000736478729 598940009 /nfs/dbraw/zinc/94/00/09/598940009.db2.gz CZVPLZXMQVSIJG-UHFFFAOYSA-N -1 3 358.833 3.340 20 0 FGADHM CCCN(Cc1ccc(OC)cc1)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000736478729 598940010 /nfs/dbraw/zinc/94/00/10/598940010.db2.gz CZVPLZXMQVSIJG-UHFFFAOYSA-N -1 3 358.833 3.340 20 0 FGADHM CC(C)N(C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)C1CCC1 ZINC000735851563 598940743 /nfs/dbraw/zinc/94/07/43/598940743.db2.gz ZWMUUJRMIACLME-UHFFFAOYSA-N -1 3 357.458 3.205 20 0 FGADHM CC(C)N(C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)C1CCC1 ZINC000735851563 598940745 /nfs/dbraw/zinc/94/07/45/598940745.db2.gz ZWMUUJRMIACLME-UHFFFAOYSA-N -1 3 357.458 3.205 20 0 FGADHM COc1ccccc1[C@H]1CCCN1c1ncc(-c2nnn[n-]2)cc1Cl ZINC000737146162 598941041 /nfs/dbraw/zinc/94/10/41/598941041.db2.gz GXGVWGWHGVEFBP-CQSZACIVSA-N -1 3 356.817 3.265 20 0 FGADHM COc1ccccc1[C@H]1CCCN1c1ncc(-c2nn[n-]n2)cc1Cl ZINC000737146162 598941043 /nfs/dbraw/zinc/94/10/43/598941043.db2.gz GXGVWGWHGVEFBP-CQSZACIVSA-N -1 3 356.817 3.265 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OCCSc1cc(F)ccc1F ZINC000737032001 598938269 /nfs/dbraw/zinc/93/82/69/598938269.db2.gz GRPMROJUHLEPJN-UHFFFAOYSA-N -1 3 364.377 3.325 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OCCSc1cc(F)ccc1F ZINC000737032001 598938272 /nfs/dbraw/zinc/93/82/72/598938272.db2.gz GRPMROJUHLEPJN-UHFFFAOYSA-N -1 3 364.377 3.325 20 0 FGADHM C[C@H](c1nc(-c2ccccc2)no1)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736200738 598944966 /nfs/dbraw/zinc/94/49/66/598944966.db2.gz BLXNHWRLRZBGNX-CYBMUJFWSA-N -1 3 361.409 3.110 20 0 FGADHM Cc1nnc(NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)s1 ZINC000737532911 598971062 /nfs/dbraw/zinc/97/10/62/598971062.db2.gz MWAHBKAMPLHRPO-UHFFFAOYSA-N -1 3 355.452 3.367 20 0 FGADHM O=C(NC1CCCC1)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000738026689 598979169 /nfs/dbraw/zinc/97/91/69/598979169.db2.gz ULQWVCHXDMQBMW-UHFFFAOYSA-N -1 3 363.421 3.118 20 0 FGADHM O=C(NC1CCCC1)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000738026689 598979171 /nfs/dbraw/zinc/97/91/71/598979171.db2.gz ULQWVCHXDMQBMW-UHFFFAOYSA-N -1 3 363.421 3.118 20 0 FGADHM CC(C)[C@@H](C)NC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000735707016 598980957 /nfs/dbraw/zinc/98/09/57/598980957.db2.gz FRHUMZKXFGLGTJ-CQSZACIVSA-N -1 3 365.437 3.220 20 0 FGADHM CC(C)[C@@H](C)NC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000735707016 598980959 /nfs/dbraw/zinc/98/09/59/598980959.db2.gz FRHUMZKXFGLGTJ-CQSZACIVSA-N -1 3 365.437 3.220 20 0 FGADHM CC[C@H](NC(=S)NCc1cccc(-c2nnn[n-]2)c1)c1cccs1 ZINC000736371166 599013980 /nfs/dbraw/zinc/01/39/80/599013980.db2.gz OXNNTNOTAMQOPB-ZDUSSCGKSA-N -1 3 358.496 3.044 20 0 FGADHM CC[C@H](NC(=S)NCc1cccc(-c2nn[n-]n2)c1)c1cccs1 ZINC000736371166 599013982 /nfs/dbraw/zinc/01/39/82/599013982.db2.gz OXNNTNOTAMQOPB-ZDUSSCGKSA-N -1 3 358.496 3.044 20 0 FGADHM O=C(OCc1cnc(-c2cccs2)o1)c1sccc1-c1nnn[n-]1 ZINC000738234539 599028892 /nfs/dbraw/zinc/02/88/92/599028892.db2.gz ITZALTSTCVFLJR-UHFFFAOYSA-N -1 3 359.392 3.002 20 0 FGADHM COc1ccccc1[C@@H](C)Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000737143599 599039281 /nfs/dbraw/zinc/03/92/81/599039281.db2.gz WSKVUYFJWGBPQY-SECBINFHSA-N -1 3 364.331 3.462 20 0 FGADHM COc1ccccc1[C@@H](C)Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000737143599 599039284 /nfs/dbraw/zinc/03/92/84/599039284.db2.gz WSKVUYFJWGBPQY-SECBINFHSA-N -1 3 364.331 3.462 20 0 FGADHM Fc1cccc(CCNc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)c1 ZINC000737664698 599040131 /nfs/dbraw/zinc/04/01/31/599040131.db2.gz DGRVVPADVUZTNF-UHFFFAOYSA-N -1 3 352.295 3.074 20 0 FGADHM Fc1cccc(CCNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)c1 ZINC000737664698 599040133 /nfs/dbraw/zinc/04/01/33/599040133.db2.gz DGRVVPADVUZTNF-UHFFFAOYSA-N -1 3 352.295 3.074 20 0 FGADHM C[C@H]1CN(c2nc3c(cc2-c2nnn[n-]2)CCC3)CC[C@@H]1c1ccccc1 ZINC000820776817 599050824 /nfs/dbraw/zinc/05/08/24/599050824.db2.gz NHKWZEHCXAQCBD-YOEHRIQHSA-N -1 3 360.465 3.380 20 0 FGADHM C[C@H]1CN(c2nc3c(cc2-c2nn[n-]n2)CCC3)CC[C@@H]1c1ccccc1 ZINC000820776817 599050827 /nfs/dbraw/zinc/05/08/27/599050827.db2.gz NHKWZEHCXAQCBD-YOEHRIQHSA-N -1 3 360.465 3.380 20 0 FGADHM C[C@H]1CCCC[C@@H]1NC(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000824937812 607833186 /nfs/dbraw/zinc/83/31/86/607833186.db2.gz RSTRUXBWVOAAJH-UFBFGSQYSA-N -1 3 354.241 3.482 20 0 FGADHM C[C@H]1CCCC[C@@H]1NC(=O)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000824937812 607833185 /nfs/dbraw/zinc/83/31/85/607833185.db2.gz RSTRUXBWVOAAJH-UFBFGSQYSA-N -1 3 354.241 3.482 20 0 FGADHM C[C@H](CCc1cccn1C)Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000820253907 599054965 /nfs/dbraw/zinc/05/49/65/599054965.db2.gz KSXUBIJTKBIBKV-SNVBAGLBSA-N -1 3 365.363 3.052 20 0 FGADHM C[C@H](CCc1cccn1C)Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000820253907 599054967 /nfs/dbraw/zinc/05/49/67/599054967.db2.gz KSXUBIJTKBIBKV-SNVBAGLBSA-N -1 3 365.363 3.052 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Cc1ccc(CC)cc1 ZINC000736481610 599070494 /nfs/dbraw/zinc/07/04/94/599070494.db2.gz YHLJMBCDDUUIKD-UHFFFAOYSA-N -1 3 363.465 3.410 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Cc1ccc(CC)cc1 ZINC000736481610 599070495 /nfs/dbraw/zinc/07/04/95/599070495.db2.gz YHLJMBCDDUUIKD-UHFFFAOYSA-N -1 3 363.465 3.410 20 0 FGADHM COc1ccc(O[C@@H](C)CNc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000821838332 599074730 /nfs/dbraw/zinc/07/47/30/599074730.db2.gz LEYOFOZKIOVEBQ-NSHDSACASA-N -1 3 359.817 3.408 20 0 FGADHM COc1ccc(O[C@@H](C)CNc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000821838332 599074732 /nfs/dbraw/zinc/07/47/32/599074732.db2.gz LEYOFOZKIOVEBQ-NSHDSACASA-N -1 3 359.817 3.408 20 0 FGADHM Cc1ccc([C@@H](C)N[C@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)o1 ZINC000737321337 599078075 /nfs/dbraw/zinc/07/80/75/599078075.db2.gz UFYSEPRCAONGMC-GHMZBOCLSA-N -1 3 374.832 3.099 20 0 FGADHM Cc1ccc([C@@H](C)N[C@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)o1 ZINC000737321337 599078078 /nfs/dbraw/zinc/07/80/78/599078078.db2.gz UFYSEPRCAONGMC-GHMZBOCLSA-N -1 3 374.832 3.099 20 0 FGADHM C[C@@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)Oc1ccc(Cl)cc1 ZINC000820280975 599089769 /nfs/dbraw/zinc/08/97/69/599089769.db2.gz QLFHSXSCOLQLPG-VIFPVBQESA-N -1 3 365.224 3.448 20 0 FGADHM C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)Oc1ccc(Cl)cc1 ZINC000820280975 599089773 /nfs/dbraw/zinc/08/97/73/599089773.db2.gz QLFHSXSCOLQLPG-VIFPVBQESA-N -1 3 365.224 3.448 20 0 FGADHM Cc1cc(NC(=O)Cc2ccc(-c3nnn[n-]3)cc2)ccc1OC(C)C ZINC000737275038 599091234 /nfs/dbraw/zinc/09/12/34/599091234.db2.gz NOMWMZQXIYLFAV-UHFFFAOYSA-N -1 3 351.410 3.144 20 0 FGADHM Cc1cc(NC(=O)Cc2ccc(-c3nn[n-]n3)cc2)ccc1OC(C)C ZINC000737275038 599091237 /nfs/dbraw/zinc/09/12/37/599091237.db2.gz NOMWMZQXIYLFAV-UHFFFAOYSA-N -1 3 351.410 3.144 20 0 FGADHM CCO[C@H]1C[C@H](N(C)C(=O)c2cccc(-c3nnn[n-]3)c2)C12CCCCC2 ZINC000736616362 599098205 /nfs/dbraw/zinc/09/82/05/599098205.db2.gz NZFSXQXQBRJCDE-IRXDYDNUSA-N -1 3 369.469 3.067 20 0 FGADHM CCO[C@H]1C[C@H](N(C)C(=O)c2cccc(-c3nn[n-]n3)c2)C12CCCCC2 ZINC000736616362 599098209 /nfs/dbraw/zinc/09/82/09/599098209.db2.gz NZFSXQXQBRJCDE-IRXDYDNUSA-N -1 3 369.469 3.067 20 0 FGADHM COC(=O)[C@H](Sc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1F ZINC000821649745 599127483 /nfs/dbraw/zinc/12/74/83/599127483.db2.gz CPWQYAGOOSATCZ-CQSZACIVSA-N -1 3 362.361 3.151 20 0 FGADHM COC(=O)[C@H](Sc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1F ZINC000821649745 599127486 /nfs/dbraw/zinc/12/74/86/599127486.db2.gz CPWQYAGOOSATCZ-CQSZACIVSA-N -1 3 362.361 3.151 20 0 FGADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H](C)C(F)(F)F ZINC000820087744 599145850 /nfs/dbraw/zinc/14/58/50/599145850.db2.gz YSXLDBQLZRFUIH-LLVKDONJSA-N -1 3 355.364 3.050 20 0 FGADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@H](C)C(F)(F)F ZINC000820087744 599145851 /nfs/dbraw/zinc/14/58/51/599145851.db2.gz YSXLDBQLZRFUIH-LLVKDONJSA-N -1 3 355.364 3.050 20 0 FGADHM CC(C)(C)Oc1ccccc1NC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000735639631 599146654 /nfs/dbraw/zinc/14/66/54/599146654.db2.gz KPUOSFZCXSBMER-UHFFFAOYSA-N -1 3 366.425 3.366 20 0 FGADHM CC(C)(C)Oc1ccccc1NC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000735639631 599146656 /nfs/dbraw/zinc/14/66/56/599146656.db2.gz KPUOSFZCXSBMER-UHFFFAOYSA-N -1 3 366.425 3.366 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H](C)CC(=O)c1ccccc1F ZINC000822216213 599149177 /nfs/dbraw/zinc/14/91/77/599149177.db2.gz IOZZLTCCCRABEF-LBPRGKRZSA-N -1 3 367.384 3.162 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H](C)CC(=O)c1ccccc1F ZINC000822216213 599149179 /nfs/dbraw/zinc/14/91/79/599149179.db2.gz IOZZLTCCCRABEF-LBPRGKRZSA-N -1 3 367.384 3.162 20 0 FGADHM COc1ccc(C=C2C(=O)Nc3ccc(Cl)cc32)cc1-c1nnn[n-]1 ZINC000737083458 599151294 /nfs/dbraw/zinc/15/12/94/599151294.db2.gz OSGJDOMHXBEVCY-SDQBBNPISA-N -1 3 353.769 3.021 20 0 FGADHM COc1ccc(C=C2C(=O)Nc3ccc(Cl)cc32)cc1-c1nn[n-]n1 ZINC000737083458 599151296 /nfs/dbraw/zinc/15/12/96/599151296.db2.gz OSGJDOMHXBEVCY-SDQBBNPISA-N -1 3 353.769 3.021 20 0 FGADHM Cc1ccc([C@H]2CCCN2C(=S)Nc2ccccc2-c2nnn[n-]2)o1 ZINC000737328974 599158760 /nfs/dbraw/zinc/15/87/60/599158760.db2.gz FHPXHDKUSQVKIN-CQSZACIVSA-N -1 3 354.439 3.302 20 0 FGADHM Cc1ccc([C@H]2CCCN2C(=S)Nc2ccccc2-c2nn[n-]n2)o1 ZINC000737328974 599158761 /nfs/dbraw/zinc/15/87/61/599158761.db2.gz FHPXHDKUSQVKIN-CQSZACIVSA-N -1 3 354.439 3.302 20 0 FGADHM CC[C@H](C)C[C@H](C)NC(=O)[C@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC000820870777 599160004 /nfs/dbraw/zinc/16/00/04/599160004.db2.gz ZHQPGSGJASFUKH-GRDNDAEWSA-N -1 3 359.474 3.211 20 0 FGADHM CC[C@H](C)C[C@H](C)NC(=O)[C@H](Oc1ccccc1-c1nn[n-]n1)C(C)C ZINC000820870777 599160006 /nfs/dbraw/zinc/16/00/06/599160006.db2.gz ZHQPGSGJASFUKH-GRDNDAEWSA-N -1 3 359.474 3.211 20 0 FGADHM C[C@H](NC(=O)[C@H]1C[C@@H]1c1c(F)cccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000736100651 599160791 /nfs/dbraw/zinc/16/07/91/599160791.db2.gz MYMPLEOJXUAPBL-BPNCWPANSA-N -1 3 369.375 3.126 20 0 FGADHM C[C@H](NC(=O)[C@H]1C[C@@H]1c1c(F)cccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000736100651 599160793 /nfs/dbraw/zinc/16/07/93/599160793.db2.gz MYMPLEOJXUAPBL-BPNCWPANSA-N -1 3 369.375 3.126 20 0 FGADHM Cc1[nH]c2c(cccc2C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)c1C ZINC000822009904 599162223 /nfs/dbraw/zinc/16/22/23/599162223.db2.gz HFYNASVLNIHYKV-UHFFFAOYSA-N -1 3 364.384 3.034 20 0 FGADHM Cc1[nH]c2c(cccc2C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)c1C ZINC000822009904 599162226 /nfs/dbraw/zinc/16/22/26/599162226.db2.gz HFYNASVLNIHYKV-UHFFFAOYSA-N -1 3 364.384 3.034 20 0 FGADHM COc1ccccc1SCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000737154929 599163976 /nfs/dbraw/zinc/16/39/76/599163976.db2.gz ABRWWSSTWORWAR-UHFFFAOYSA-N -1 3 366.406 3.218 20 0 FGADHM COc1ccccc1SCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000737154929 599163978 /nfs/dbraw/zinc/16/39/78/599163978.db2.gz ABRWWSSTWORWAR-UHFFFAOYSA-N -1 3 366.406 3.218 20 0 FGADHM COc1ccc(COCCSc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000737098313 599169613 /nfs/dbraw/zinc/16/96/13/599169613.db2.gz UMOBMBZRBCPECF-UHFFFAOYSA-N -1 3 360.414 3.323 20 0 FGADHM COc1ccc(COCCSc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000737098313 599169614 /nfs/dbraw/zinc/16/96/14/599169614.db2.gz UMOBMBZRBCPECF-UHFFFAOYSA-N -1 3 360.414 3.323 20 0 FGADHM CC[C@H](Cc1ccc(Cl)cc1)NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736350487 599166445 /nfs/dbraw/zinc/16/64/45/599166445.db2.gz AVCDMTRCEIYTFB-MRXNPFEDSA-N -1 3 355.829 3.271 20 0 FGADHM CC[C@H](Cc1ccc(Cl)cc1)NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736350487 599166448 /nfs/dbraw/zinc/16/64/48/599166448.db2.gz AVCDMTRCEIYTFB-MRXNPFEDSA-N -1 3 355.829 3.271 20 0 FGADHM O=C1[C@@H](Sc2ccc(-c3nnn[n-]3)cc2F)CCCN1c1ccccc1 ZINC000738297407 599169873 /nfs/dbraw/zinc/16/98/73/599169873.db2.gz RPFBRYAOXPTWAE-INIZCTEOSA-N -1 3 369.425 3.294 20 0 FGADHM O=C1[C@@H](Sc2ccc(-c3nn[n-]n3)cc2F)CCCN1c1ccccc1 ZINC000738297407 599169876 /nfs/dbraw/zinc/16/98/76/599169876.db2.gz RPFBRYAOXPTWAE-INIZCTEOSA-N -1 3 369.425 3.294 20 0 FGADHM C[C@@H]1CCc2c(sc(NC(=O)[C@@H]3Cc4ccccc43)c2-c2nnn[n-]2)C1 ZINC000736281837 599177284 /nfs/dbraw/zinc/17/72/84/599177284.db2.gz XSOJIGGLEPJZKT-QMTHXVAHSA-N -1 3 365.462 3.331 20 0 FGADHM C[C@@H]1CCc2c(sc(NC(=O)[C@@H]3Cc4ccccc43)c2-c2nn[n-]n2)C1 ZINC000736281837 599177286 /nfs/dbraw/zinc/17/72/86/599177286.db2.gz XSOJIGGLEPJZKT-QMTHXVAHSA-N -1 3 365.462 3.331 20 0 FGADHM Cc1ccc(CCCCC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000822236050 599181563 /nfs/dbraw/zinc/18/15/63/599181563.db2.gz HVUMUFLDPQHBTG-UHFFFAOYSA-N -1 3 367.428 3.343 20 0 FGADHM Cc1ccc(CCCCC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000822236050 599181564 /nfs/dbraw/zinc/18/15/64/599181564.db2.gz HVUMUFLDPQHBTG-UHFFFAOYSA-N -1 3 367.428 3.343 20 0 FGADHM C[C@H](CC(=O)OCc1cc(-c2nnn[n-]2)ccc1F)c1cccc(F)c1 ZINC000735976320 599185053 /nfs/dbraw/zinc/18/50/53/599185053.db2.gz LENBGIFYGUXISK-LLVKDONJSA-N -1 3 358.348 3.382 20 0 FGADHM C[C@H](CC(=O)OCc1cc(-c2nn[n-]n2)ccc1F)c1cccc(F)c1 ZINC000735976320 599185056 /nfs/dbraw/zinc/18/50/56/599185056.db2.gz LENBGIFYGUXISK-LLVKDONJSA-N -1 3 358.348 3.382 20 0 FGADHM Cc1ccc(-c2ocnc2C(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737302728 599182925 /nfs/dbraw/zinc/18/29/25/599182925.db2.gz CKDAXBLLHVNQRF-UHFFFAOYSA-N -1 3 374.404 3.102 20 0 FGADHM Cc1ccc(-c2ocnc2C(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737302728 599182927 /nfs/dbraw/zinc/18/29/27/599182927.db2.gz CKDAXBLLHVNQRF-UHFFFAOYSA-N -1 3 374.404 3.102 20 0 FGADHM CC1(NC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)CCCCC1 ZINC000736222510 599187811 /nfs/dbraw/zinc/18/78/11/599187811.db2.gz IFYVWALTDANYQW-UHFFFAOYSA-N -1 3 366.372 3.312 20 0 FGADHM CC1(NC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)CCCCC1 ZINC000736222510 599187813 /nfs/dbraw/zinc/18/78/13/599187813.db2.gz IFYVWALTDANYQW-UHFFFAOYSA-N -1 3 366.372 3.312 20 0 FGADHM C[C@H](C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F)c1cccc(Cl)c1 ZINC000735514798 599186602 /nfs/dbraw/zinc/18/66/02/599186602.db2.gz WKIGQPVCGBRPAY-JTQLQIEISA-N -1 3 359.792 3.426 20 0 FGADHM C[C@H](C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F)c1cccc(Cl)c1 ZINC000735514798 599186603 /nfs/dbraw/zinc/18/66/03/599186603.db2.gz WKIGQPVCGBRPAY-JTQLQIEISA-N -1 3 359.792 3.426 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H]1CCSc2ccccc21 ZINC000737292113 599187669 /nfs/dbraw/zinc/18/76/69/599187669.db2.gz SADDZHJPKADWSM-CQSZACIVSA-N -1 3 351.435 3.393 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1CCSc2ccccc21 ZINC000737292113 599187672 /nfs/dbraw/zinc/18/76/72/599187672.db2.gz SADDZHJPKADWSM-CQSZACIVSA-N -1 3 351.435 3.393 20 0 FGADHM CCCCc1ccc(C(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736466492 599211394 /nfs/dbraw/zinc/21/13/94/599211394.db2.gz LCWKLMVKKAJYDP-UHFFFAOYSA-N -1 3 365.437 3.018 20 0 FGADHM COCCCC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000821687239 599218075 /nfs/dbraw/zinc/21/80/75/599218075.db2.gz VPJQPNDCOLLUCF-UHFFFAOYSA-N -1 3 371.372 3.163 20 0 FGADHM COCCCC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000821687239 599218079 /nfs/dbraw/zinc/21/80/79/599218079.db2.gz VPJQPNDCOLLUCF-UHFFFAOYSA-N -1 3 371.372 3.163 20 0 FGADHM CCC[C@]1(C)CCCN(C(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821028058 599220040 /nfs/dbraw/zinc/22/00/40/599220040.db2.gz SLOXBGLOWNCBJH-AUUYWEPGSA-N -1 3 357.458 3.063 20 0 FGADHM COC(=O)c1ccc2nc(SCc3ccc(-c4nnn[n-]4)cc3)oc2c1 ZINC000736948786 599222270 /nfs/dbraw/zinc/22/22/70/599222270.db2.gz PPWDOOPGKKOAOC-UHFFFAOYSA-N -1 3 367.390 3.087 20 0 FGADHM COC(=O)c1ccc2nc(SCc3ccc(-c4nn[n-]n4)cc3)oc2c1 ZINC000736948786 599222272 /nfs/dbraw/zinc/22/22/72/599222272.db2.gz PPWDOOPGKKOAOC-UHFFFAOYSA-N -1 3 367.390 3.087 20 0 FGADHM CC(C)Oc1ccc(OC(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735914312 599223206 /nfs/dbraw/zinc/22/32/06/599223206.db2.gz WBRODKCLCOSOEM-CYBMUJFWSA-N -1 3 368.393 3.027 20 0 FGADHM CCC[C@@]1(C)CCCN(C(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)C1 ZINC000821028675 599223314 /nfs/dbraw/zinc/22/33/14/599223314.db2.gz XZPPESKIHZNPLJ-KUHUBIRLSA-N -1 3 357.458 3.063 20 0 FGADHM CCC[C@@]1(C)CCCN(C(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)C1 ZINC000821028675 599223317 /nfs/dbraw/zinc/22/33/17/599223317.db2.gz XZPPESKIHZNPLJ-KUHUBIRLSA-N -1 3 357.458 3.063 20 0 FGADHM Fc1ccc(CSCc2nnc(-c3ccccc3)o2)c(-c2nnn[n-]2)c1 ZINC000822774529 599224333 /nfs/dbraw/zinc/22/43/33/599224333.db2.gz LHOJFDWXAAZRPY-UHFFFAOYSA-N -1 3 368.397 3.489 20 0 FGADHM Fc1ccc(CSCc2nnc(-c3ccccc3)o2)c(-c2nn[n-]n2)c1 ZINC000822774529 599224336 /nfs/dbraw/zinc/22/43/36/599224336.db2.gz LHOJFDWXAAZRPY-UHFFFAOYSA-N -1 3 368.397 3.489 20 0 FGADHM CC(C)[C@@H]1CCCCN1C(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000735747122 599225999 /nfs/dbraw/zinc/22/59/99/599225999.db2.gz BKUOBOTWVGJCIW-INIZCTEOSA-N -1 3 359.499 3.137 20 0 FGADHM CC(C)[C@@H]1CCCCN1C(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000735747122 599226003 /nfs/dbraw/zinc/22/60/03/599226003.db2.gz BKUOBOTWVGJCIW-INIZCTEOSA-N -1 3 359.499 3.137 20 0 FGADHM Cc1cccc([C@@H](C)SCC(=O)NCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822288532 599226675 /nfs/dbraw/zinc/22/66/75/599226675.db2.gz AQRUWHGJBSQGJA-CQSZACIVSA-N -1 3 367.478 3.286 20 0 FGADHM Cc1cccc([C@@H](C)SCC(=O)NCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822288532 599226678 /nfs/dbraw/zinc/22/66/78/599226678.db2.gz AQRUWHGJBSQGJA-CQSZACIVSA-N -1 3 367.478 3.286 20 0 FGADHM CCOc1ccc(CCC(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1 ZINC000821417357 607266810 /nfs/dbraw/zinc/26/68/10/607266810.db2.gz MHLDSUAEHSYARM-UHFFFAOYSA-N -1 3 351.410 3.145 20 0 FGADHM CCOc1ccc(CCC(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1 ZINC000821417357 607266811 /nfs/dbraw/zinc/26/68/11/607266811.db2.gz MHLDSUAEHSYARM-UHFFFAOYSA-N -1 3 351.410 3.145 20 0 FGADHM Cc1c(NC(=O)[C@@H]2C[C@]23CCCc2ccccc23)cccc1-c1nnn[n-]1 ZINC000822061329 607267868 /nfs/dbraw/zinc/26/78/68/607267868.db2.gz MJXLWRUFPYJXDN-UWJYYQICSA-N -1 3 359.433 3.408 20 0 FGADHM Cc1c(NC(=O)[C@@H]2C[C@]23CCCc2ccccc23)cccc1-c1nn[n-]n1 ZINC000822061329 607267869 /nfs/dbraw/zinc/26/78/69/607267869.db2.gz MJXLWRUFPYJXDN-UWJYYQICSA-N -1 3 359.433 3.408 20 0 FGADHM C[C@@H](OC(=O)CCc1ccc(F)cc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000824715446 607777554 /nfs/dbraw/zinc/77/75/54/607777554.db2.gz SFXHUXSDCIVULS-LLVKDONJSA-N -1 3 358.348 3.382 20 0 FGADHM C[C@@H](OC(=O)CCc1ccc(F)cc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000824715446 607777555 /nfs/dbraw/zinc/77/75/55/607777555.db2.gz SFXHUXSDCIVULS-LLVKDONJSA-N -1 3 358.348 3.382 20 0 FGADHM CCc1nc(C)c([C@H](C)N(C)C(=O)Nc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000821504207 599240859 /nfs/dbraw/zinc/24/08/59/599240859.db2.gz DCSBGGXWLLBWHC-NSHDSACASA-N -1 3 371.470 3.419 20 0 FGADHM CCc1nc(C)c([C@H](C)N(C)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000821504207 599240862 /nfs/dbraw/zinc/24/08/62/599240862.db2.gz DCSBGGXWLLBWHC-NSHDSACASA-N -1 3 371.470 3.419 20 0 FGADHM Cc1c(NC(=O)Cc2coc(-c3cccs3)n2)cccc1-c1nnn[n-]1 ZINC000822077519 607270044 /nfs/dbraw/zinc/27/00/44/607270044.db2.gz WGFLKLFYIMHBIP-UHFFFAOYSA-N -1 3 366.406 3.073 20 0 FGADHM Cc1c(NC(=O)Cc2coc(-c3cccs3)n2)cccc1-c1nn[n-]n1 ZINC000822077519 607270045 /nfs/dbraw/zinc/27/00/45/607270045.db2.gz WGFLKLFYIMHBIP-UHFFFAOYSA-N -1 3 366.406 3.073 20 0 FGADHM Cc1c(NC(=O)[C@@H]2COc3ccc(Cl)cc3C2)cccc1-c1nnn[n-]1 ZINC000822068386 607271360 /nfs/dbraw/zinc/27/13/60/607271360.db2.gz QJTXXBYHLLRMAC-LBPRGKRZSA-N -1 3 369.812 3.018 20 0 FGADHM Cc1c(NC(=O)[C@@H]2COc3ccc(Cl)cc3C2)cccc1-c1nn[n-]n1 ZINC000822068386 607271361 /nfs/dbraw/zinc/27/13/61/607271361.db2.gz QJTXXBYHLLRMAC-LBPRGKRZSA-N -1 3 369.812 3.018 20 0 FGADHM C[C@@H](NC(=O)Nc1cccc(OC(F)F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820380599 599253916 /nfs/dbraw/zinc/25/39/16/599253916.db2.gz XEVZCXATHQLOTK-SNVBAGLBSA-N -1 3 374.351 3.351 20 0 FGADHM C[C@@H](NC(=O)Nc1cccc(OC(F)F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820380599 599253917 /nfs/dbraw/zinc/25/39/17/599253917.db2.gz XEVZCXATHQLOTK-SNVBAGLBSA-N -1 3 374.351 3.351 20 0 FGADHM Cc1ccc([C@@H](C)CNC(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1 ZINC000822229662 607288554 /nfs/dbraw/zinc/28/85/54/607288554.db2.gz YVQIOOUOPZNFQY-ZDUSSCGKSA-N -1 3 350.426 3.409 20 0 FGADHM Cc1ccc([C@@H](C)CNC(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1 ZINC000822229662 607288555 /nfs/dbraw/zinc/28/85/55/607288555.db2.gz YVQIOOUOPZNFQY-ZDUSSCGKSA-N -1 3 350.426 3.409 20 0 FGADHM CN(C)CCN(Cc1ccc(F)cc1)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000818378640 597324624 /nfs/dbraw/zinc/32/46/24/597324624.db2.gz YBPYAZZVTOKJMO-UHFFFAOYSA-N -1 3 373.428 3.049 20 0 FGADHM O=C([O-])Cc1ccccc1NC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000390604550 597334489 /nfs/dbraw/zinc/33/44/89/597334489.db2.gz XGNDSWABXNTXAC-GOSISDBHSA-N -1 3 367.449 3.100 20 0 FGADHM Cc1cccc(OC[C@H](C)NC(=O)Nc2cccc(-c3nnn[n-]3)c2C)c1 ZINC000822327693 607291139 /nfs/dbraw/zinc/29/11/39/607291139.db2.gz JDEMMFAWTUKFOM-ZDUSSCGKSA-N -1 3 366.425 3.073 20 0 FGADHM Cc1cccc(OC[C@H](C)NC(=O)Nc2cccc(-c3nn[n-]n3)c2C)c1 ZINC000822327693 607291140 /nfs/dbraw/zinc/29/11/40/607291140.db2.gz JDEMMFAWTUKFOM-ZDUSSCGKSA-N -1 3 366.425 3.073 20 0 FGADHM Cc1c(NC(=O)[C@H]2SCCc3ccccc32)cccc1-c1nnn[n-]1 ZINC000822068752 607295110 /nfs/dbraw/zinc/29/51/10/607295110.db2.gz UHWVPDBTNFGKEY-INIZCTEOSA-N -1 3 351.435 3.144 20 0 FGADHM Cc1c(NC(=O)[C@H]2SCCc3ccccc32)cccc1-c1nn[n-]n1 ZINC000822068752 607295111 /nfs/dbraw/zinc/29/51/11/607295111.db2.gz UHWVPDBTNFGKEY-INIZCTEOSA-N -1 3 351.435 3.144 20 0 FGADHM Cc1cc(Br)ccc1C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000822161042 607295956 /nfs/dbraw/zinc/29/59/56/607295956.db2.gz NSVWKMGROOPGLI-UHFFFAOYSA-N -1 3 372.226 3.498 20 0 FGADHM Cc1cc(Br)ccc1C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000822161042 607295957 /nfs/dbraw/zinc/29/59/57/607295957.db2.gz NSVWKMGROOPGLI-UHFFFAOYSA-N -1 3 372.226 3.498 20 0 FGADHM COc1ccccc1CC(C)(C)C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821889480 607296417 /nfs/dbraw/zinc/29/64/17/607296417.db2.gz BWPWFJUCJPZINL-UHFFFAOYSA-N -1 3 365.437 3.391 20 0 FGADHM COc1ccccc1CC(C)(C)C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821889480 607296418 /nfs/dbraw/zinc/29/64/18/607296418.db2.gz BWPWFJUCJPZINL-UHFFFAOYSA-N -1 3 365.437 3.391 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N(CC(F)(F)F)c1ccccc1 ZINC000737800206 599260598 /nfs/dbraw/zinc/26/05/98/599260598.db2.gz QFWSKVGOUHITMP-KHPPLWFESA-N -1 3 373.338 3.475 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N(CC(F)(F)F)c1ccccc1 ZINC000737800206 599260599 /nfs/dbraw/zinc/26/05/99/599260599.db2.gz QFWSKVGOUHITMP-KHPPLWFESA-N -1 3 373.338 3.475 20 0 FGADHM CN(CCOc1ccc(F)cc1)c1c(-c2nnn[n-]2)cnc2ccccc21 ZINC000736801840 599260993 /nfs/dbraw/zinc/26/09/93/599260993.db2.gz LXSWCIIXMLVDBR-UHFFFAOYSA-N -1 3 364.384 3.069 20 0 FGADHM CN(CCOc1ccc(F)cc1)c1c(-c2nn[n-]n2)cnc2ccccc21 ZINC000736801840 599260995 /nfs/dbraw/zinc/26/09/95/599260995.db2.gz LXSWCIIXMLVDBR-UHFFFAOYSA-N -1 3 364.384 3.069 20 0 FGADHM Cc1ccccc1OCCN(C)c1c(-c2nnn[n-]2)cnc2ccccc21 ZINC000737432025 599262826 /nfs/dbraw/zinc/26/28/26/599262826.db2.gz QJYCEKGQAOIOSD-UHFFFAOYSA-N -1 3 360.421 3.239 20 0 FGADHM Cc1ccccc1OCCN(C)c1c(-c2nn[n-]n2)cnc2ccccc21 ZINC000737432025 599262828 /nfs/dbraw/zinc/26/28/28/599262828.db2.gz QJYCEKGQAOIOSD-UHFFFAOYSA-N -1 3 360.421 3.239 20 0 FGADHM Oc1ccc(C2=CCN(c3c(-c4nnn[n-]4)cnc4ccccc43)CC2)cc1 ZINC000738397170 599263383 /nfs/dbraw/zinc/26/33/83/599263383.db2.gz NYSPRFVXCYFVJP-UHFFFAOYSA-N -1 3 370.416 3.414 20 0 FGADHM Oc1ccc(C2=CCN(c3c(-c4nn[n-]n4)cnc4ccccc43)CC2)cc1 ZINC000738397170 599263384 /nfs/dbraw/zinc/26/33/84/599263384.db2.gz NYSPRFVXCYFVJP-UHFFFAOYSA-N -1 3 370.416 3.414 20 0 FGADHM Cc1ccc(NCc2ccc(-c3nnn[n-]3)s2)c(OC[C@H]2CCCO2)c1 ZINC000822254145 607309913 /nfs/dbraw/zinc/30/99/13/607309913.db2.gz BDGOLICNYHNHLO-CYBMUJFWSA-N -1 3 371.466 3.407 20 0 FGADHM CCCOc1cccc(CC(=O)Nc2sc(CC)cc2-c2nnn[n-]2)c1 ZINC000821134074 607311491 /nfs/dbraw/zinc/31/14/91/607311491.db2.gz MZKXZHXVSJYZLQ-UHFFFAOYSA-N -1 3 371.466 3.461 20 0 FGADHM CCCOc1cccc(CC(=O)Nc2sc(CC)cc2-c2nn[n-]n2)c1 ZINC000821134074 607311492 /nfs/dbraw/zinc/31/14/92/607311492.db2.gz MZKXZHXVSJYZLQ-UHFFFAOYSA-N -1 3 371.466 3.461 20 0 FGADHM COc1ccc(CNc2ccc3cnn(C(C)C)c3c2)cc1-c1nnn[n-]1 ZINC000821821492 607314225 /nfs/dbraw/zinc/31/42/25/607314225.db2.gz IBSIEBRBEAOFBK-UHFFFAOYSA-N -1 3 363.425 3.418 20 0 FGADHM COc1ccc(CNc2ccc3cnn(C(C)C)c3c2)cc1-c1nn[n-]n1 ZINC000821821492 607314226 /nfs/dbraw/zinc/31/42/26/607314226.db2.gz IBSIEBRBEAOFBK-UHFFFAOYSA-N -1 3 363.425 3.418 20 0 FGADHM c1sc(CNc2ccccc2OC[C@@H]2CCCCO2)cc1-c1nnn[n-]1 ZINC000823791861 607314626 /nfs/dbraw/zinc/31/46/26/607314626.db2.gz KWQHGAAHVZTSTC-AWEZNQCLSA-N -1 3 371.466 3.488 20 0 FGADHM c1sc(CNc2ccccc2OC[C@@H]2CCCCO2)cc1-c1nn[n-]n1 ZINC000823791861 607314627 /nfs/dbraw/zinc/31/46/27/607314627.db2.gz KWQHGAAHVZTSTC-AWEZNQCLSA-N -1 3 371.466 3.488 20 0 FGADHM O=C(Nc1cccc(NCc2ccc(-c3nnn[n-]3)cc2)c1)c1ccoc1 ZINC000823367307 607315280 /nfs/dbraw/zinc/31/52/80/607315280.db2.gz IWNKFUBEYGJRPI-UHFFFAOYSA-N -1 3 360.377 3.324 20 0 FGADHM O=C(Nc1cccc(NCc2ccc(-c3nn[n-]n3)cc2)c1)c1ccoc1 ZINC000823367307 607315281 /nfs/dbraw/zinc/31/52/81/607315281.db2.gz IWNKFUBEYGJRPI-UHFFFAOYSA-N -1 3 360.377 3.324 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)c1ncnc2cccc(F)c21 ZINC000821109197 607305131 /nfs/dbraw/zinc/30/51/31/607305131.db2.gz BQWFCIMCLWZASE-UHFFFAOYSA-N -1 3 363.400 3.366 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)c1ncnc2cccc(F)c21 ZINC000821109197 607305132 /nfs/dbraw/zinc/30/51/32/607305132.db2.gz BQWFCIMCLWZASE-UHFFFAOYSA-N -1 3 363.400 3.366 20 0 FGADHM CCN(C(=O)Nc1cc(-c2nnn[n-]2)ccc1C)[C@H](C)c1cccc(O)c1 ZINC000821153485 599268683 /nfs/dbraw/zinc/26/86/83/599268683.db2.gz DDRSKZASSRGYNF-CYBMUJFWSA-N -1 3 366.425 3.496 20 0 FGADHM CCN(C(=O)Nc1cc(-c2nn[n-]n2)ccc1C)[C@H](C)c1cccc(O)c1 ZINC000821153485 599268684 /nfs/dbraw/zinc/26/86/84/599268684.db2.gz DDRSKZASSRGYNF-CYBMUJFWSA-N -1 3 366.425 3.496 20 0 FGADHM C[C@H](NC(=O)Nc1nc2ccsc2s1)c1cccc(-c2nnn[n-]2)c1 ZINC000820380579 599283986 /nfs/dbraw/zinc/28/39/86/599283986.db2.gz WOTQKFCYFMTOKW-QMMMGPOBSA-N -1 3 371.451 3.421 20 0 FGADHM C[C@H](NC(=O)Nc1nc2ccsc2s1)c1cccc(-c2nn[n-]n2)c1 ZINC000820380579 599283988 /nfs/dbraw/zinc/28/39/88/599283988.db2.gz WOTQKFCYFMTOKW-QMMMGPOBSA-N -1 3 371.451 3.421 20 0 FGADHM C[C@@H](Sc1nccn1Cc1ccccn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736190519 599289603 /nfs/dbraw/zinc/28/96/03/599289603.db2.gz GACJONBOYFFVSK-CYBMUJFWSA-N -1 3 363.450 3.360 20 0 FGADHM C[C@@H](Sc1nccn1Cc1ccccn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736190519 599289605 /nfs/dbraw/zinc/28/96/05/599289605.db2.gz GACJONBOYFFVSK-CYBMUJFWSA-N -1 3 363.450 3.360 20 0 FGADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(NCCc2cc3ccccc3[nH]2)n1 ZINC000822724054 607329847 /nfs/dbraw/zinc/32/98/47/607329847.db2.gz XMKXPILLUZNBBC-UHFFFAOYSA-N -1 3 373.342 3.416 20 0 FGADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(NCCc2cc3ccccc3[nH]2)n1 ZINC000822724054 607329848 /nfs/dbraw/zinc/32/98/48/607329848.db2.gz XMKXPILLUZNBBC-UHFFFAOYSA-N -1 3 373.342 3.416 20 0 FGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1Cl)NC1CCCCC1 ZINC000826420915 607845028 /nfs/dbraw/zinc/84/50/28/607845028.db2.gz IXVZYNBLVXGXEY-UHFFFAOYSA-N -1 3 351.863 3.061 20 0 FGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1Cl)NC1CCCCC1 ZINC000826420915 607845029 /nfs/dbraw/zinc/84/50/29/607845029.db2.gz IXVZYNBLVXGXEY-UHFFFAOYSA-N -1 3 351.863 3.061 20 0 FGADHM CC[C@H]1Oc2cc([C@@H](C)NCc3ccc(C(=O)[O-])cc3)ccc2NC1=O ZINC000263376292 598180288 /nfs/dbraw/zinc/18/02/88/598180288.db2.gz AQBFPBGSRBUWAF-SJKOYZFVSA-N -1 3 354.406 3.345 20 0 FGADHM O=C([O-])c1cccc(CNCc2cnc3ccc(Br)cn23)c1 ZINC000821552359 598194397 /nfs/dbraw/zinc/19/43/97/598194397.db2.gz KLWKYTAMZFAROG-UHFFFAOYSA-N -1 3 360.211 3.085 20 0 FGADHM Fc1cccc(Nc2ccc(OC[C@H]3CCCO3)cc2)c1-c1nnn[n-]1 ZINC000737663609 598240097 /nfs/dbraw/zinc/24/00/97/598240097.db2.gz JFSWUEVHUDQQLZ-CQSZACIVSA-N -1 3 355.373 3.307 20 0 FGADHM Fc1cccc(Nc2ccc(OC[C@H]3CCCO3)cc2)c1-c1nn[n-]n1 ZINC000737663609 598240099 /nfs/dbraw/zinc/24/00/99/598240099.db2.gz JFSWUEVHUDQQLZ-CQSZACIVSA-N -1 3 355.373 3.307 20 0 FGADHM COc1ccccc1C[C@@H]1CCCN1c1cccc(F)c1-c1nnn[n-]1 ZINC000737151833 598242701 /nfs/dbraw/zinc/24/27/01/598242701.db2.gz FZKUUVPXANZWBK-AWEZNQCLSA-N -1 3 353.401 3.226 20 0 FGADHM COc1ccccc1C[C@@H]1CCCN1c1cccc(F)c1-c1nn[n-]n1 ZINC000737151833 598242702 /nfs/dbraw/zinc/24/27/02/598242702.db2.gz FZKUUVPXANZWBK-AWEZNQCLSA-N -1 3 353.401 3.226 20 0 FGADHM Cc1ccc2[nH]c3c(c2c1)CN(CCOc1cccc(-c2nn[n-]n2)c1)CC3 ZINC000737372292 598252219 /nfs/dbraw/zinc/25/22/19/598252219.db2.gz CRFASZMKBYAKGH-UHFFFAOYSA-N -1 3 374.448 3.094 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NCCCOc1ccccc1C ZINC000737294793 598265733 /nfs/dbraw/zinc/26/57/33/598265733.db2.gz QBJZEKHYTONRSJ-UHFFFAOYSA-N -1 3 366.425 3.074 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NCCCOc1ccccc1C ZINC000737294793 598265735 /nfs/dbraw/zinc/26/57/35/598265735.db2.gz QBJZEKHYTONRSJ-UHFFFAOYSA-N -1 3 366.425 3.074 20 0 FGADHM Cc1cc(C)c(-c2nnn[n-]2)c(S[C@H](C)C(=O)N(C(C)C)C(C)C)n1 ZINC000737239584 598271262 /nfs/dbraw/zinc/27/12/62/598271262.db2.gz DOQIHGYTMKCTRS-CYBMUJFWSA-N -1 3 362.503 3.005 20 0 FGADHM Cc1cc(C)c(-c2nn[n-]n2)c(S[C@H](C)C(=O)N(C(C)C)C(C)C)n1 ZINC000737239584 598271264 /nfs/dbraw/zinc/27/12/64/598271264.db2.gz DOQIHGYTMKCTRS-CYBMUJFWSA-N -1 3 362.503 3.005 20 0 FGADHM CN(C(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000736733470 598279100 /nfs/dbraw/zinc/27/91/00/598279100.db2.gz VTGDIYRCBLVVCK-KGLIPLIRSA-N -1 3 371.803 3.426 20 0 FGADHM CN(C(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736733470 598279101 /nfs/dbraw/zinc/27/91/01/598279101.db2.gz VTGDIYRCBLVVCK-KGLIPLIRSA-N -1 3 371.803 3.426 20 0 FGADHM CC(C)Cc1ccc(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000735849684 598280767 /nfs/dbraw/zinc/28/07/67/598280767.db2.gz KACFMVLUFWXZHT-UHFFFAOYSA-N -1 3 353.401 3.481 20 0 FGADHM CC(C)Cc1ccc(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000735849684 598280768 /nfs/dbraw/zinc/28/07/68/598280768.db2.gz KACFMVLUFWXZHT-UHFFFAOYSA-N -1 3 353.401 3.481 20 0 FGADHM CCN(C(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1)C(C)C ZINC000736505033 598281123 /nfs/dbraw/zinc/28/11/23/598281123.db2.gz GAMDCXRFQBJNCJ-UHFFFAOYSA-N -1 3 371.470 3.176 20 0 FGADHM CCN(C(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1)C(C)C ZINC000736505033 598281124 /nfs/dbraw/zinc/28/11/24/598281124.db2.gz GAMDCXRFQBJNCJ-UHFFFAOYSA-N -1 3 371.470 3.176 20 0 FGADHM CCc1cccc2c1OCC[C@H]2NC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736695303 598282238 /nfs/dbraw/zinc/28/22/38/598282238.db2.gz KZWAMVHQEYJYKI-MRXNPFEDSA-N -1 3 364.409 3.074 20 0 FGADHM CCc1cccc2c1OCC[C@H]2NC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736695303 598282239 /nfs/dbraw/zinc/28/22/39/598282239.db2.gz KZWAMVHQEYJYKI-MRXNPFEDSA-N -1 3 364.409 3.074 20 0 FGADHM CCc1nnc(CNc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)o1 ZINC000736708530 598283065 /nfs/dbraw/zinc/28/30/65/598283065.db2.gz XZAZHQZVVVWDSK-UHFFFAOYSA-N -1 3 363.381 3.217 20 0 FGADHM CC(C)(C(=O)OCc1cc(-c2nnn[n-]2)ccc1F)c1ccccc1F ZINC000735582135 598290973 /nfs/dbraw/zinc/29/09/73/598290973.db2.gz GQWJSFRJXSCYCA-UHFFFAOYSA-N -1 3 358.348 3.166 20 0 FGADHM CC(C)(C(=O)OCc1cc(-c2nn[n-]n2)ccc1F)c1ccccc1F ZINC000735582135 598290975 /nfs/dbraw/zinc/29/09/75/598290975.db2.gz GQWJSFRJXSCYCA-UHFFFAOYSA-N -1 3 358.348 3.166 20 0 FGADHM Fc1cc(-c2nnn[n-]2)ccc1CNc1ncnc2sc3c(c21)CCC3 ZINC000737641755 598310817 /nfs/dbraw/zinc/31/08/17/598310817.db2.gz XXEGWOWBBIGGKC-UHFFFAOYSA-N -1 3 367.413 3.111 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1CNc1ncnc2sc3c(c21)CCC3 ZINC000737641755 598310819 /nfs/dbraw/zinc/31/08/19/598310819.db2.gz XXEGWOWBBIGGKC-UHFFFAOYSA-N -1 3 367.413 3.111 20 0 FGADHM C[C@@H]1c2cccn2CCN1C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736304876 598316888 /nfs/dbraw/zinc/31/68/88/598316888.db2.gz RDSIOAWRZACTMZ-SNVBAGLBSA-N -1 3 373.873 3.095 20 0 FGADHM C[C@@H]1c2cccn2CCN1C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736304876 598316890 /nfs/dbraw/zinc/31/68/90/598316890.db2.gz RDSIOAWRZACTMZ-SNVBAGLBSA-N -1 3 373.873 3.095 20 0 FGADHM Cc1ccc([C@@H](C)NC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)c(C)c1 ZINC000737319794 598319053 /nfs/dbraw/zinc/31/90/53/598319053.db2.gz GVHYGUBQROOLEH-CYBMUJFWSA-N -1 3 368.416 3.183 20 0 FGADHM Cc1ccc([C@@H](C)NC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)c(C)c1 ZINC000737319794 598319055 /nfs/dbraw/zinc/31/90/55/598319055.db2.gz GVHYGUBQROOLEH-CYBMUJFWSA-N -1 3 368.416 3.183 20 0 FGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)Nc1cc(Cl)ccc1F ZINC000738101439 598323302 /nfs/dbraw/zinc/32/33/02/598323302.db2.gz XOHLOISQAWPWPC-UHFFFAOYSA-N -1 3 364.743 3.120 20 0 FGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)Nc1cc(Cl)ccc1F ZINC000738101439 598323304 /nfs/dbraw/zinc/32/33/04/598323304.db2.gz XOHLOISQAWPWPC-UHFFFAOYSA-N -1 3 364.743 3.120 20 0 FGADHM C[C@@H](c1ccncc1)N(C)C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736203406 598323740 /nfs/dbraw/zinc/32/37/40/598323740.db2.gz NOVSUGBLLZYCGP-JTQLQIEISA-N -1 3 373.873 3.305 20 0 FGADHM C[C@@H](c1ccncc1)N(C)C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736203406 598323741 /nfs/dbraw/zinc/32/37/41/598323741.db2.gz NOVSUGBLLZYCGP-JTQLQIEISA-N -1 3 373.873 3.305 20 0 FGADHM Clc1cccc(-c2nnc(COc3ccccc3-c3nnn[n-]3)o2)c1 ZINC000737573888 598383436 /nfs/dbraw/zinc/38/34/36/598383436.db2.gz FSUSMHXVBSSIKB-UHFFFAOYSA-N -1 3 354.757 3.149 20 0 FGADHM Clc1cccc(-c2nnc(COc3ccccc3-c3nn[n-]n3)o2)c1 ZINC000737573888 598383437 /nfs/dbraw/zinc/38/34/37/598383437.db2.gz FSUSMHXVBSSIKB-UHFFFAOYSA-N -1 3 354.757 3.149 20 0 FGADHM Cc1[nH]c2ccccc2c1CCNC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000737201066 598385364 /nfs/dbraw/zinc/38/53/64/598385364.db2.gz YHQWCVDBKJCQMR-KHPPLWFESA-N -1 3 372.432 3.029 20 0 FGADHM Cc1[nH]c2ccccc2c1CCNC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000737201066 598385366 /nfs/dbraw/zinc/38/53/66/598385366.db2.gz YHQWCVDBKJCQMR-KHPPLWFESA-N -1 3 372.432 3.029 20 0 FGADHM CCN(CCCNc1ncc(-c2nnn[n-]2)cc1Cl)c1ccccc1 ZINC000736537672 598386573 /nfs/dbraw/zinc/38/65/73/598386573.db2.gz PAJABNWBQXQNDL-UHFFFAOYSA-N -1 3 357.849 3.244 20 0 FGADHM CCN(CCCNc1ncc(-c2nn[n-]n2)cc1Cl)c1ccccc1 ZINC000736537672 598386576 /nfs/dbraw/zinc/38/65/76/598386576.db2.gz PAJABNWBQXQNDL-UHFFFAOYSA-N -1 3 357.849 3.244 20 0 FGADHM COc1ccc(C[C@H](C)Nc2cccc(F)c2-c2nnn[n-]2)cc1OC ZINC000737087388 598387907 /nfs/dbraw/zinc/38/79/07/598387907.db2.gz NCCNCPFFERZTGN-NSHDSACASA-N -1 3 357.389 3.066 20 0 FGADHM COc1ccc(C[C@H](C)Nc2cccc(F)c2-c2nn[n-]n2)cc1OC ZINC000737087388 598387909 /nfs/dbraw/zinc/38/79/09/598387909.db2.gz NCCNCPFFERZTGN-NSHDSACASA-N -1 3 357.389 3.066 20 0 FGADHM CCCC(=O)Nc1cccc(CNc2ncc(-c3nnn[n-]3)cc2Cl)c1 ZINC000736415287 598390728 /nfs/dbraw/zinc/39/07/28/598390728.db2.gz GKYGXBCSOUTDBN-UHFFFAOYSA-N -1 3 371.832 3.266 20 0 FGADHM CCCC(=O)Nc1cccc(CNc2ncc(-c3nn[n-]n3)cc2Cl)c1 ZINC000736415287 598390730 /nfs/dbraw/zinc/39/07/30/598390730.db2.gz GKYGXBCSOUTDBN-UHFFFAOYSA-N -1 3 371.832 3.266 20 0 FGADHM Cc1nc(CCC(=O)Nc2ccccc2-c2nnn[n-]2)oc1-c1ccccc1 ZINC000737471621 598394182 /nfs/dbraw/zinc/39/41/82/598394182.db2.gz LZWTVTVAOWYSGK-UHFFFAOYSA-N -1 3 374.404 3.401 20 0 FGADHM Cc1nc(CCC(=O)Nc2ccccc2-c2nn[n-]n2)oc1-c1ccccc1 ZINC000737471621 598394184 /nfs/dbraw/zinc/39/41/84/598394184.db2.gz LZWTVTVAOWYSGK-UHFFFAOYSA-N -1 3 374.404 3.401 20 0 FGADHM FC(F)COc1cccc(CNc2ncc(-c3nnn[n-]3)cc2Cl)c1 ZINC000737639046 598394354 /nfs/dbraw/zinc/39/43/54/598394354.db2.gz LPJMSBBOQHEPCQ-UHFFFAOYSA-N -1 3 366.759 3.171 20 0 FGADHM FC(F)COc1cccc(CNc2ncc(-c3nn[n-]n3)cc2Cl)c1 ZINC000737639046 598394355 /nfs/dbraw/zinc/39/43/55/598394355.db2.gz LPJMSBBOQHEPCQ-UHFFFAOYSA-N -1 3 366.759 3.171 20 0 FGADHM O=C(Nc1cnn(-c2ccccc2Cl)c1)c1sccc1-c1nnn[n-]1 ZINC000738196151 598397856 /nfs/dbraw/zinc/39/78/56/598397856.db2.gz DEHMTMIJDSUOIB-UHFFFAOYSA-N -1 3 371.813 3.020 20 0 FGADHM O=C(Nc1cnn(-c2ccccc2Cl)c1)c1sccc1-c1nn[n-]n1 ZINC000738196151 598397857 /nfs/dbraw/zinc/39/78/57/598397857.db2.gz DEHMTMIJDSUOIB-UHFFFAOYSA-N -1 3 371.813 3.020 20 0 FGADHM COc1cccc([C@@H]2C[C@@H]2C(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000737131952 598414842 /nfs/dbraw/zinc/41/48/42/598414842.db2.gz ZFDKPPMTFBJPMZ-UUWFMWQGSA-N -1 3 364.405 3.283 20 0 FGADHM COc1cccc([C@@H]2C[C@@H]2C(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737131952 598414843 /nfs/dbraw/zinc/41/48/43/598414843.db2.gz ZFDKPPMTFBJPMZ-UUWFMWQGSA-N -1 3 364.405 3.283 20 0 FGADHM COc1ccccc1C[C@H](C)CC(=O)N(C)c1cccc(-c2nnn[n-]2)c1 ZINC000737154306 598421081 /nfs/dbraw/zinc/42/10/81/598421081.db2.gz ZXYXKOALJCFGCZ-AWEZNQCLSA-N -1 3 365.437 3.107 20 0 FGADHM COc1ccccc1C[C@H](C)CC(=O)N(C)c1cccc(-c2nn[n-]n2)c1 ZINC000737154306 598421083 /nfs/dbraw/zinc/42/10/83/598421083.db2.gz ZXYXKOALJCFGCZ-AWEZNQCLSA-N -1 3 365.437 3.107 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H](C)c1ccccc1 ZINC000736635471 598431207 /nfs/dbraw/zinc/43/12/07/598431207.db2.gz URQZQXUAVNMJMC-LBPRGKRZSA-N -1 3 352.398 3.148 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@H](C)c1ccccc1 ZINC000736635471 598431209 /nfs/dbraw/zinc/43/12/09/598431209.db2.gz URQZQXUAVNMJMC-LBPRGKRZSA-N -1 3 352.398 3.148 20 0 FGADHM CSc1ccsc1C(=O)OCc1cc(-c2nnn[n-]2)ccc1F ZINC000737193048 598431701 /nfs/dbraw/zinc/43/17/01/598431701.db2.gz VRARKNGFPHIDSK-UHFFFAOYSA-N -1 3 350.400 3.146 20 0 FGADHM CSc1ccsc1C(=O)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000737193048 598431703 /nfs/dbraw/zinc/43/17/03/598431703.db2.gz VRARKNGFPHIDSK-UHFFFAOYSA-N -1 3 350.400 3.146 20 0 FGADHM CCCCCCOCC(=O)N(CC)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736446554 598442614 /nfs/dbraw/zinc/44/26/14/598442614.db2.gz JCLRUYCSFDMJCT-HNNXBMFYSA-N -1 3 359.474 3.373 20 0 FGADHM CCCCCCOCC(=O)N(CC)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736446554 598442616 /nfs/dbraw/zinc/44/26/16/598442616.db2.gz JCLRUYCSFDMJCT-HNNXBMFYSA-N -1 3 359.474 3.373 20 0 FGADHM COc1ccccc1C(C)=CC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737141946 598442881 /nfs/dbraw/zinc/44/28/81/598442881.db2.gz KYQVGIFBBQKJDU-WUFNSSIPSA-N -1 3 363.421 3.156 20 0 FGADHM COc1ccccc1C(C)=CC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737141946 598442883 /nfs/dbraw/zinc/44/28/83/598442883.db2.gz KYQVGIFBBQKJDU-WUFNSSIPSA-N -1 3 363.421 3.156 20 0 FGADHM CCCCCCOCC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC000736447228 598446653 /nfs/dbraw/zinc/44/66/53/598446653.db2.gz PDHGXPDRSUERTN-UHFFFAOYSA-N -1 3 361.446 3.189 20 0 FGADHM CCCCCCOCC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC000736447228 598446654 /nfs/dbraw/zinc/44/66/54/598446654.db2.gz PDHGXPDRSUERTN-UHFFFAOYSA-N -1 3 361.446 3.189 20 0 FGADHM CCCCC[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC000736440287 598452413 /nfs/dbraw/zinc/45/24/13/598452413.db2.gz BYLLAMQMGDJCJD-MRXNPFEDSA-N -1 3 350.426 3.313 20 0 FGADHM CCCCC[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC000736440287 598452414 /nfs/dbraw/zinc/45/24/14/598452414.db2.gz BYLLAMQMGDJCJD-MRXNPFEDSA-N -1 3 350.426 3.313 20 0 FGADHM CCCC1CCC(N(C(=O)c2ccc(-c3nnn[n-]3)cn2)C(C)C)CC1 ZINC000736436123 598453862 /nfs/dbraw/zinc/45/38/62/598453862.db2.gz OYYKSPJBANYRJS-UHFFFAOYSA-N -1 3 356.474 3.471 20 0 FGADHM CCCC1CCC(N(C(=O)c2ccc(-c3nn[n-]n3)cn2)C(C)C)CC1 ZINC000736436123 598453863 /nfs/dbraw/zinc/45/38/63/598453863.db2.gz OYYKSPJBANYRJS-UHFFFAOYSA-N -1 3 356.474 3.471 20 0 FGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc2[nH]ccc2c1 ZINC000735906168 598460339 /nfs/dbraw/zinc/46/03/39/598460339.db2.gz PHPIDZCYEZYFKD-UHFFFAOYSA-N -1 3 362.393 3.388 20 0 FGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc2[nH]ccc2c1 ZINC000735906168 598460340 /nfs/dbraw/zinc/46/03/40/598460340.db2.gz PHPIDZCYEZYFKD-UHFFFAOYSA-N -1 3 362.393 3.388 20 0 FGADHM C[C@H]1CCC[C@H](NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)C1 ZINC000736257109 598477521 /nfs/dbraw/zinc/47/75/21/598477521.db2.gz BTCSOHQFICZOOA-BBRMVZONSA-N -1 3 354.458 3.119 20 0 FGADHM C[C@H]1CCC[C@H](NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)C1 ZINC000736257109 598477523 /nfs/dbraw/zinc/47/75/23/598477523.db2.gz BTCSOHQFICZOOA-BBRMVZONSA-N -1 3 354.458 3.119 20 0 FGADHM C[C@@H](OC(=O)[C@@H](C)Cc1ccc(F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000736056885 598484188 /nfs/dbraw/zinc/48/41/88/598484188.db2.gz SEXMDZXDQGXMMB-QWHCGFSZSA-N -1 3 354.385 3.489 20 0 FGADHM C[C@@H](OC(=O)[C@@H](C)Cc1ccc(F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000736056885 598484190 /nfs/dbraw/zinc/48/41/90/598484190.db2.gz SEXMDZXDQGXMMB-QWHCGFSZSA-N -1 3 354.385 3.489 20 0 FGADHM C[C@@H](OC(=O)CCOc1ccc(F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000736147592 598486991 /nfs/dbraw/zinc/48/69/91/598486991.db2.gz CKNXEBMHJBMMCI-GFCCVEGCSA-N -1 3 356.357 3.079 20 0 FGADHM C[C@@H](OC(=O)CCOc1ccc(F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000736147592 598486993 /nfs/dbraw/zinc/48/69/93/598486993.db2.gz CKNXEBMHJBMMCI-GFCCVEGCSA-N -1 3 356.357 3.079 20 0 FGADHM CC(=CC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C)c1ccccc1 ZINC000735446676 598490425 /nfs/dbraw/zinc/49/04/25/598490425.db2.gz DDLWFSVYSXETTC-RAXLEYEMSA-N -1 3 350.426 3.465 20 0 FGADHM CC(=CC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C)c1ccccc1 ZINC000735446676 598490426 /nfs/dbraw/zinc/49/04/26/598490426.db2.gz DDLWFSVYSXETTC-RAXLEYEMSA-N -1 3 350.426 3.465 20 0 FGADHM CC(=CC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C)c1ccccc1 ZINC000735446675 598490527 /nfs/dbraw/zinc/49/05/27/598490527.db2.gz DDLWFSVYSXETTC-JLHYYAGUSA-N -1 3 350.426 3.465 20 0 FGADHM CC(=CC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C)c1ccccc1 ZINC000735446675 598490529 /nfs/dbraw/zinc/49/05/29/598490529.db2.gz DDLWFSVYSXETTC-JLHYYAGUSA-N -1 3 350.426 3.465 20 0 FGADHM C[C@H](NC(=O)c1csc(-c2ccoc2)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736123705 598493255 /nfs/dbraw/zinc/49/32/55/598493255.db2.gz BZSHDHSYOGHWOK-JTQLQIEISA-N -1 3 366.406 3.074 20 0 FGADHM C[C@H](NC(=O)c1csc(-c2ccoc2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736123705 598493256 /nfs/dbraw/zinc/49/32/56/598493256.db2.gz BZSHDHSYOGHWOK-JTQLQIEISA-N -1 3 366.406 3.074 20 0 FGADHM Cc1ncccc1C(=O)Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737501824 598493889 /nfs/dbraw/zinc/49/38/89/598493889.db2.gz KWALNORWCKBWOS-UHFFFAOYSA-N -1 3 357.373 3.456 20 0 FGADHM Cc1ncccc1C(=O)Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737501824 598493891 /nfs/dbraw/zinc/49/38/91/598493891.db2.gz KWALNORWCKBWOS-UHFFFAOYSA-N -1 3 357.373 3.456 20 0 FGADHM O=C(Cc1cccc(Cl)c1)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000737969767 598495348 /nfs/dbraw/zinc/49/53/48/598495348.db2.gz SOURVVAHWRDFFS-UHFFFAOYSA-N -1 3 359.842 3.252 20 0 FGADHM O=C(Cc1cccc(Cl)c1)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000737969767 598495350 /nfs/dbraw/zinc/49/53/50/598495350.db2.gz SOURVVAHWRDFFS-UHFFFAOYSA-N -1 3 359.842 3.252 20 0 FGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)Cc1cccc(Cl)c1 ZINC000735906330 598495939 /nfs/dbraw/zinc/49/59/39/598495939.db2.gz RUWDQOIGTSVXNR-UHFFFAOYSA-N -1 3 371.828 3.489 20 0 FGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)Cc1cccc(Cl)c1 ZINC000735906330 598495940 /nfs/dbraw/zinc/49/59/40/598495940.db2.gz RUWDQOIGTSVXNR-UHFFFAOYSA-N -1 3 371.828 3.489 20 0 FGADHM C[C@@H]1C[C@@H]1NC(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000736236575 598500879 /nfs/dbraw/zinc/50/08/79/598500879.db2.gz KKCFBNGIKKITKH-RISCZKNCSA-N -1 3 351.435 3.156 20 0 FGADHM C[C@@H]1C[C@@H]1NC(=O)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC000736236575 598500880 /nfs/dbraw/zinc/50/08/80/598500880.db2.gz KKCFBNGIKKITKH-RISCZKNCSA-N -1 3 351.435 3.156 20 0 FGADHM CN(Cc1cnn(-c2ccccc2)c1)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000736829668 598507605 /nfs/dbraw/zinc/50/76/05/598507605.db2.gz JUAZPKYOGRMWPP-UHFFFAOYSA-N -1 3 365.828 3.342 20 0 FGADHM CN(Cc1cnn(-c2ccccc2)c1)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000736829668 598507608 /nfs/dbraw/zinc/50/76/08/598507608.db2.gz JUAZPKYOGRMWPP-UHFFFAOYSA-N -1 3 365.828 3.342 20 0 FGADHM Clc1ccc(NC[C@@H]2CCN(c3ccccc3)C2)c(-c2nnn[n-]2)c1 ZINC000737574068 598508039 /nfs/dbraw/zinc/50/80/39/598508039.db2.gz KSBHBRIHEBDLMA-ZDUSSCGKSA-N -1 3 354.845 3.459 20 0 FGADHM Clc1ccc(NC[C@@H]2CCN(c3ccccc3)C2)c(-c2nn[n-]n2)c1 ZINC000737574068 598508040 /nfs/dbraw/zinc/50/80/40/598508040.db2.gz KSBHBRIHEBDLMA-ZDUSSCGKSA-N -1 3 354.845 3.459 20 0 FGADHM Cc1nc2ccccc2n1CCNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737489618 598508135 /nfs/dbraw/zinc/50/81/35/598508135.db2.gz KINRKVVYODGRCP-UHFFFAOYSA-N -1 3 353.817 3.290 20 0 FGADHM Cc1nc2ccccc2n1CCNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737489618 598508137 /nfs/dbraw/zinc/50/81/37/598508137.db2.gz KINRKVVYODGRCP-UHFFFAOYSA-N -1 3 353.817 3.290 20 0 FGADHM Cc1cccc(NC(=O)CN(C)c2ccc(Cl)cc2-c2nnn[n-]2)c1C ZINC000737400581 598508154 /nfs/dbraw/zinc/50/81/54/598508154.db2.gz UGAOZFHXPJPSSJ-UHFFFAOYSA-N -1 3 370.844 3.212 20 0 FGADHM Cc1cccc(NC(=O)CN(C)c2ccc(Cl)cc2-c2nn[n-]n2)c1C ZINC000737400581 598508156 /nfs/dbraw/zinc/50/81/56/598508156.db2.gz UGAOZFHXPJPSSJ-UHFFFAOYSA-N -1 3 370.844 3.212 20 0 FGADHM CC[C@H](c1nnc(Sc2ccc(-c3nnn[n-]3)cn2)o1)c1ccccc1 ZINC000736395850 598522460 /nfs/dbraw/zinc/52/24/60/598522460.db2.gz JNKOSIIZPIFREG-ZDUSSCGKSA-N -1 3 365.422 3.338 20 0 FGADHM CC[C@H](c1nnc(Sc2ccc(-c3nn[n-]n3)cn2)o1)c1ccccc1 ZINC000736395850 598522463 /nfs/dbraw/zinc/52/24/63/598522463.db2.gz JNKOSIIZPIFREG-ZDUSSCGKSA-N -1 3 365.422 3.338 20 0 FGADHM CN(C(=O)c1cccc(OC2CCCC2)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000736741451 598533084 /nfs/dbraw/zinc/53/30/84/598533084.db2.gz PWTYDLPXHASLLD-UHFFFAOYSA-N -1 3 363.421 3.465 20 0 FGADHM CN(C(=O)c1cccc(OC2CCCC2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000736741451 598533086 /nfs/dbraw/zinc/53/30/86/598533086.db2.gz PWTYDLPXHASLLD-UHFFFAOYSA-N -1 3 363.421 3.465 20 0 FGADHM O=C(Cc1c[nH]c2cc(Cl)ccc12)OCc1ccccc1-c1nnn[n-]1 ZINC000737954106 598533810 /nfs/dbraw/zinc/53/38/10/598533810.db2.gz GMLQNUZLLONOML-UHFFFAOYSA-N -1 3 367.796 3.287 20 0 FGADHM O=C(Cc1c[nH]c2cc(Cl)ccc12)OCc1ccccc1-c1nn[n-]n1 ZINC000737954106 598533811 /nfs/dbraw/zinc/53/38/11/598533811.db2.gz GMLQNUZLLONOML-UHFFFAOYSA-N -1 3 367.796 3.287 20 0 FGADHM O=C(C=Cc1ccsc1)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000737810647 598546881 /nfs/dbraw/zinc/54/68/81/598546881.db2.gz ZYXHBLYAPVMBIO-DAFODLJHSA-N -1 3 363.349 3.182 20 0 FGADHM O=C(C=Cc1ccsc1)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000737810647 598546882 /nfs/dbraw/zinc/54/68/82/598546882.db2.gz ZYXHBLYAPVMBIO-DAFODLJHSA-N -1 3 363.349 3.182 20 0 FGADHM CSC[C@@H](C)C(=O)N(Cc1ccccc1)c1ccccc1-c1nnn[n-]1 ZINC000737180902 598553267 /nfs/dbraw/zinc/55/32/67/598553267.db2.gz SXAHUOHOIGWUQH-CQSZACIVSA-N -1 3 367.478 3.399 20 0 FGADHM CSC[C@@H](C)C(=O)N(Cc1ccccc1)c1ccccc1-c1nn[n-]n1 ZINC000737180902 598553268 /nfs/dbraw/zinc/55/32/68/598553268.db2.gz SXAHUOHOIGWUQH-CQSZACIVSA-N -1 3 367.478 3.399 20 0 FGADHM CS[C@H](C)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737170653 598553344 /nfs/dbraw/zinc/55/33/44/598553344.db2.gz KFLAHPLDZGQSPR-LLVKDONJSA-N -1 3 355.423 3.349 20 0 FGADHM CS[C@H](C)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737170653 598553347 /nfs/dbraw/zinc/55/33/47/598553347.db2.gz KFLAHPLDZGQSPR-LLVKDONJSA-N -1 3 355.423 3.349 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H](C)c1ccccc1F ZINC000736634783 598553461 /nfs/dbraw/zinc/55/34/61/598553461.db2.gz IPQWIFKJNKTHFS-LLVKDONJSA-N -1 3 355.373 3.147 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H](C)c1ccccc1F ZINC000736634783 598553462 /nfs/dbraw/zinc/55/34/62/598553462.db2.gz IPQWIFKJNKTHFS-LLVKDONJSA-N -1 3 355.373 3.147 20 0 FGADHM CCN(C(=O)c1sccc1-c1nnn[n-]1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000736509626 598554821 /nfs/dbraw/zinc/55/48/21/598554821.db2.gz YESLUNLLKWLGIG-LBPRGKRZSA-N -1 3 371.466 3.030 20 0 FGADHM CCN(C(=O)c1sccc1-c1nn[n-]n1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000736509626 598554823 /nfs/dbraw/zinc/55/48/23/598554823.db2.gz YESLUNLLKWLGIG-LBPRGKRZSA-N -1 3 371.466 3.030 20 0 FGADHM CC[C@H]1CCCCN1C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000736399590 598560519 /nfs/dbraw/zinc/56/05/19/598560519.db2.gz IVPCUWXIVKDEHN-NSHDSACASA-N -1 3 366.372 3.265 20 0 FGADHM CC[C@H]1CCCCN1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000736399590 598560520 /nfs/dbraw/zinc/56/05/20/598560520.db2.gz IVPCUWXIVKDEHN-NSHDSACASA-N -1 3 366.372 3.265 20 0 FGADHM CCOc1ccc(NC(=S)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000736646280 598580327 /nfs/dbraw/zinc/58/03/27/598580327.db2.gz DYUXNRFWAORMLA-UHFFFAOYSA-N -1 3 358.402 3.213 20 0 FGADHM CCOc1ccc(NC(=S)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000736646280 598580329 /nfs/dbraw/zinc/58/03/29/598580329.db2.gz DYUXNRFWAORMLA-UHFFFAOYSA-N -1 3 358.402 3.213 20 0 FGADHM C[C@@H](NC(=O)N(C)[C@@H](C)c1cccc(O)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736113329 598582705 /nfs/dbraw/zinc/58/27/05/598582705.db2.gz YGBVACVLLQRMJJ-OLZOCXBDSA-N -1 3 366.425 3.036 20 0 FGADHM C[C@@H](NC(=O)N(C)[C@@H](C)c1cccc(O)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736113329 598582707 /nfs/dbraw/zinc/58/27/07/598582707.db2.gz YGBVACVLLQRMJJ-OLZOCXBDSA-N -1 3 366.425 3.036 20 0 FGADHM C[C@H](c1cccc(O)c1)N(C)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736199394 598583119 /nfs/dbraw/zinc/58/31/19/598583119.db2.gz OACNJVVBLHUBJN-SNVBAGLBSA-N -1 3 372.816 3.451 20 0 FGADHM C[C@H](c1cccc(O)c1)N(C)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736199394 598583120 /nfs/dbraw/zinc/58/31/20/598583120.db2.gz OACNJVVBLHUBJN-SNVBAGLBSA-N -1 3 372.816 3.451 20 0 FGADHM COc1ccc(C2(C(=O)Nc3ccc(F)c(-c4nnn[n-]4)c3)CCC2)cc1 ZINC000737074978 598583228 /nfs/dbraw/zinc/58/32/28/598583228.db2.gz ARVFWBVHBJVYAR-UHFFFAOYSA-N -1 3 367.384 3.075 20 0 FGADHM COc1ccc(C2(C(=O)Nc3ccc(F)c(-c4nn[n-]n4)c3)CCC2)cc1 ZINC000737074978 598583230 /nfs/dbraw/zinc/58/32/30/598583230.db2.gz ARVFWBVHBJVYAR-UHFFFAOYSA-N -1 3 367.384 3.075 20 0 FGADHM C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736191179 598585859 /nfs/dbraw/zinc/58/58/59/598585859.db2.gz XXAUFVFAADRLDI-SECBINFHSA-N -1 3 361.764 3.065 20 0 FGADHM C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736191179 598585861 /nfs/dbraw/zinc/58/58/61/598585861.db2.gz XXAUFVFAADRLDI-SECBINFHSA-N -1 3 361.764 3.065 20 0 FGADHM CC(C)N(C)c1cccc(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)c1 ZINC000735859252 598587645 /nfs/dbraw/zinc/58/76/45/598587645.db2.gz QEHXUTQRCADVBM-QXMHVHEDSA-N -1 3 362.437 3.363 20 0 FGADHM CC(C)N(C)c1cccc(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)c1 ZINC000735859252 598587648 /nfs/dbraw/zinc/58/76/48/598587648.db2.gz QEHXUTQRCADVBM-QXMHVHEDSA-N -1 3 362.437 3.363 20 0 FGADHM Cc1nc2cc(F)ccc2cc1C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737486492 598587769 /nfs/dbraw/zinc/58/77/69/598587769.db2.gz BFXTVUGREITFHO-UHFFFAOYSA-N -1 3 366.331 3.254 20 0 FGADHM Cc1nc2cc(F)ccc2cc1C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737486492 598587771 /nfs/dbraw/zinc/58/77/71/598587771.db2.gz BFXTVUGREITFHO-UHFFFAOYSA-N -1 3 366.331 3.254 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1csc(-c2ccccc2)n1 ZINC000738165097 598589964 /nfs/dbraw/zinc/58/99/64/598589964.db2.gz DZXFPVXWPMXAID-UHFFFAOYSA-N -1 3 366.381 3.382 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1csc(-c2ccccc2)n1 ZINC000738165097 598589966 /nfs/dbraw/zinc/58/99/66/598589966.db2.gz DZXFPVXWPMXAID-UHFFFAOYSA-N -1 3 366.381 3.382 20 0 FGADHM CCc1cc(Oc2ccc(-c3nnn[n-]3)cc2C)nc(-c2ccncc2)n1 ZINC000736676291 598591883 /nfs/dbraw/zinc/59/18/83/598591883.db2.gz DGVRLTYRPMOEAQ-UHFFFAOYSA-N -1 3 359.393 3.382 20 0 FGADHM CCc1cc(Oc2ccc(-c3nn[n-]n3)cc2C)nc(-c2ccncc2)n1 ZINC000736676291 598591885 /nfs/dbraw/zinc/59/18/85/598591885.db2.gz DGVRLTYRPMOEAQ-UHFFFAOYSA-N -1 3 359.393 3.382 20 0 FGADHM Cc1nc2ccccc2n1CCCNc1c(F)cc(-c2nnn[n-]2)cc1F ZINC000737490194 598592456 /nfs/dbraw/zinc/59/24/56/598592456.db2.gz RKGGCFIBQWWTIW-UHFFFAOYSA-N -1 3 369.379 3.305 20 0 FGADHM Cc1nc2ccccc2n1CCCNc1c(F)cc(-c2nn[n-]n2)cc1F ZINC000737490194 598592458 /nfs/dbraw/zinc/59/24/58/598592458.db2.gz RKGGCFIBQWWTIW-UHFFFAOYSA-N -1 3 369.379 3.305 20 0 FGADHM CCc1cccc2c(CC(=O)OCc3cccc(-c4nnn[n-]4)c3)c[nH]c21 ZINC000736695867 598599598 /nfs/dbraw/zinc/59/95/98/598599598.db2.gz RBXCWBFOCVLCPD-UHFFFAOYSA-N -1 3 361.405 3.196 20 0 FGADHM CCc1cccc2c(CC(=O)OCc3cccc(-c4nn[n-]n4)c3)c[nH]c21 ZINC000736695867 598599599 /nfs/dbraw/zinc/59/95/99/598599599.db2.gz RBXCWBFOCVLCPD-UHFFFAOYSA-N -1 3 361.405 3.196 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@H]1C1CCC1 ZINC000736638256 598623463 /nfs/dbraw/zinc/62/34/63/598623463.db2.gz ZCAGIZRDOXNPEM-HNNXBMFYSA-N -1 3 356.430 3.062 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@H]1C1CCC1 ZINC000736638256 598623465 /nfs/dbraw/zinc/62/34/65/598623465.db2.gz ZCAGIZRDOXNPEM-HNNXBMFYSA-N -1 3 356.430 3.062 20 0 FGADHM CCN(Cc1ccc(C)cc1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736554903 598629410 /nfs/dbraw/zinc/62/94/10/598629410.db2.gz DZDLCBLWKKQPGW-UHFFFAOYSA-N -1 3 354.389 3.368 20 0 FGADHM CCN(Cc1ccc(C)cc1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736554903 598629411 /nfs/dbraw/zinc/62/94/11/598629411.db2.gz DZDLCBLWKKQPGW-UHFFFAOYSA-N -1 3 354.389 3.368 20 0 FGADHM CN(C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)[C@@H]1CCc2ccccc21 ZINC000736750465 598630754 /nfs/dbraw/zinc/63/07/54/598630754.db2.gz YIIUUQJTJZKGJP-MRXNPFEDSA-N -1 3 352.373 3.157 20 0 FGADHM CN(C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)[C@@H]1CCc2ccccc21 ZINC000736750465 598630756 /nfs/dbraw/zinc/63/07/56/598630756.db2.gz YIIUUQJTJZKGJP-MRXNPFEDSA-N -1 3 352.373 3.157 20 0 FGADHM Clc1cccc(-c2nnn[n-]2)c1NC[C@@H]1CCN(c2ccccc2)C1 ZINC000737574567 598633555 /nfs/dbraw/zinc/63/35/55/598633555.db2.gz MBIJLFZDJULTOE-ZDUSSCGKSA-N -1 3 354.845 3.459 20 0 FGADHM Clc1cccc(-c2nn[n-]n2)c1NC[C@@H]1CCN(c2ccccc2)C1 ZINC000737574567 598633557 /nfs/dbraw/zinc/63/35/57/598633557.db2.gz MBIJLFZDJULTOE-ZDUSSCGKSA-N -1 3 354.845 3.459 20 0 FGADHM Fc1ccc(CSc2nncn2-c2ccccc2F)c(-c2nnn[n-]2)c1 ZINC000737651261 598643658 /nfs/dbraw/zinc/64/36/58/598643658.db2.gz VDAMUWGJVGIEAY-UHFFFAOYSA-N -1 3 371.376 3.018 20 0 FGADHM Fc1ccc(CSc2nncn2-c2ccccc2F)c(-c2nn[n-]n2)c1 ZINC000737651261 598643660 /nfs/dbraw/zinc/64/36/60/598643660.db2.gz VDAMUWGJVGIEAY-UHFFFAOYSA-N -1 3 371.376 3.018 20 0 FGADHM O=C(OC1CCCC1)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000738214831 598645839 /nfs/dbraw/zinc/64/58/39/598645839.db2.gz NUMXFDXNIGABNO-UHFFFAOYSA-N -1 3 351.366 3.153 20 0 FGADHM O=C(OC1CCCC1)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000738214831 598645840 /nfs/dbraw/zinc/64/58/40/598645840.db2.gz NUMXFDXNIGABNO-UHFFFAOYSA-N -1 3 351.366 3.153 20 0 FGADHM CCN(Cc1cccs1)C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736556747 598648577 /nfs/dbraw/zinc/64/85/77/598648577.db2.gz RZJZNJFTWLZKJJ-UHFFFAOYSA-N -1 3 359.480 3.069 20 0 FGADHM CCN(Cc1cccs1)C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736556747 598648579 /nfs/dbraw/zinc/64/85/79/598648579.db2.gz RZJZNJFTWLZKJJ-UHFFFAOYSA-N -1 3 359.480 3.069 20 0 FGADHM Cc1cccc(NC(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)n1 ZINC000737400293 598648657 /nfs/dbraw/zinc/64/86/57/598648657.db2.gz SMTLJEOECMUDLV-UHFFFAOYSA-N -1 3 373.376 3.010 20 0 FGADHM Cc1cccc(NC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)n1 ZINC000737400293 598648658 /nfs/dbraw/zinc/64/86/58/598648658.db2.gz SMTLJEOECMUDLV-UHFFFAOYSA-N -1 3 373.376 3.010 20 0 FGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N1CCCc2cccc(F)c21 ZINC000737942228 598650923 /nfs/dbraw/zinc/65/09/23/598650923.db2.gz IAWSWUBTICRGMG-UHFFFAOYSA-N -1 3 369.425 3.077 20 0 FGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N1CCCc2cccc(F)c21 ZINC000737942228 598650926 /nfs/dbraw/zinc/65/09/26/598650926.db2.gz IAWSWUBTICRGMG-UHFFFAOYSA-N -1 3 369.425 3.077 20 0 FGADHM C[C@H]1CCCC[C@H]1CNC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736271934 598654459 /nfs/dbraw/zinc/65/44/59/598654459.db2.gz PISXZQMBHRYMGP-RDJZCZTQSA-N -1 3 371.485 3.358 20 0 FGADHM C[C@H]1CCCC[C@H]1CNC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736271934 598654461 /nfs/dbraw/zinc/65/44/61/598654461.db2.gz PISXZQMBHRYMGP-RDJZCZTQSA-N -1 3 371.485 3.358 20 0 FGADHM COc1ccc(OCCCNc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000737108869 598657980 /nfs/dbraw/zinc/65/79/80/598657980.db2.gz DXZNYLHGURYDMO-UHFFFAOYSA-N -1 3 359.817 3.410 20 0 FGADHM COc1ccc(OCCCNc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000737108869 598657982 /nfs/dbraw/zinc/65/79/82/598657982.db2.gz DXZNYLHGURYDMO-UHFFFAOYSA-N -1 3 359.817 3.410 20 0 FGADHM C[C@H](CN(C)C(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000735997157 598658116 /nfs/dbraw/zinc/65/81/16/598658116.db2.gz YMQLSZNCHDSCBV-CQSZACIVSA-N -1 3 367.478 3.221 20 0 FGADHM C[C@H](CN(C)C(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000735997157 598658118 /nfs/dbraw/zinc/65/81/18/598658118.db2.gz YMQLSZNCHDSCBV-CQSZACIVSA-N -1 3 367.478 3.221 20 0 FGADHM CCN(C(=O)CSc1ccc(-c2nnn[n-]2)cc1)[C@H]1CCCC[C@H]1C ZINC000736506211 598658190 /nfs/dbraw/zinc/65/81/90/598658190.db2.gz YOJKMMIRDYKGCL-CJNGLKHVSA-N -1 3 359.499 3.386 20 0 FGADHM CCN(C(=O)CSc1ccc(-c2nn[n-]n2)cc1)[C@H]1CCCC[C@H]1C ZINC000736506211 598658192 /nfs/dbraw/zinc/65/81/92/598658192.db2.gz YOJKMMIRDYKGCL-CJNGLKHVSA-N -1 3 359.499 3.386 20 0 FGADHM O=C(Nc1ccc(F)cn1)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000738165003 598660758 /nfs/dbraw/zinc/66/07/58/598660758.db2.gz BGVFLKREFBJFNX-UHFFFAOYSA-N -1 3 360.352 3.320 20 0 FGADHM O=C(Nc1ccc(F)cn1)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000738165003 598660760 /nfs/dbraw/zinc/66/07/60/598660760.db2.gz BGVFLKREFBJFNX-UHFFFAOYSA-N -1 3 360.352 3.320 20 0 FGADHM CC(C)[C@@H]1CCCC[C@@H]1NC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000735749095 598661627 /nfs/dbraw/zinc/66/16/27/598661627.db2.gz MLBRUJJUMGDXKV-IRXDYDNUSA-N -1 3 373.526 3.431 20 0 FGADHM CC(C)[C@@H]1CCCC[C@@H]1NC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000735749095 598661629 /nfs/dbraw/zinc/66/16/29/598661629.db2.gz MLBRUJJUMGDXKV-IRXDYDNUSA-N -1 3 373.526 3.431 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cn1)c1cc2c(cccc2Cl)s1 ZINC000738151630 598663098 /nfs/dbraw/zinc/66/30/98/598663098.db2.gz NNJBLQKBYMQXMK-UHFFFAOYSA-N -1 3 356.798 3.382 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cn1)c1cc2c(cccc2Cl)s1 ZINC000738151630 598663099 /nfs/dbraw/zinc/66/30/99/598663099.db2.gz NNJBLQKBYMQXMK-UHFFFAOYSA-N -1 3 356.798 3.382 20 0 FGADHM COc1cccc2c1OCC[C@@H]2Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737143954 598669759 /nfs/dbraw/zinc/66/97/59/598669759.db2.gz WXJKEYYABNODHG-AWEZNQCLSA-N -1 3 357.801 3.464 20 0 FGADHM COc1cccc2c1OCC[C@@H]2Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737143954 598669761 /nfs/dbraw/zinc/66/97/61/598669761.db2.gz WXJKEYYABNODHG-AWEZNQCLSA-N -1 3 357.801 3.464 20 0 FGADHM O=C(c1ccc(-c2nnn[n-]2)cc1)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000738253169 598670248 /nfs/dbraw/zinc/67/02/48/598670248.db2.gz ANMGEHGDGRXZCY-HNNXBMFYSA-N -1 3 353.813 3.150 20 0 FGADHM O=C(c1ccc(-c2nn[n-]n2)cc1)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000738253169 598670250 /nfs/dbraw/zinc/67/02/50/598670250.db2.gz ANMGEHGDGRXZCY-HNNXBMFYSA-N -1 3 353.813 3.150 20 0 FGADHM Cc1cccc2[nH]cc(CCNC(=O)C=Cc3ccccc3-c3nnn[n-]3)c21 ZINC000737408329 598671161 /nfs/dbraw/zinc/67/11/61/598671161.db2.gz KFUZZLGSFFMMEM-MDZDMXLPSA-N -1 3 372.432 3.029 20 0 FGADHM Cc1cccc2[nH]cc(CCNC(=O)C=Cc3ccccc3-c3nn[n-]n3)c21 ZINC000737408329 598671163 /nfs/dbraw/zinc/67/11/63/598671163.db2.gz KFUZZLGSFFMMEM-MDZDMXLPSA-N -1 3 372.432 3.029 20 0 FGADHM Fc1ccc(CN[C@@H](c2ccccc2)c2ccccn2)c(-c2nnn[n-]2)c1 ZINC000737647399 598679092 /nfs/dbraw/zinc/67/90/92/598679092.db2.gz DMWGJNINWPZKKW-IBGZPJMESA-N -1 3 360.396 3.280 20 0 FGADHM Fc1ccc(CN[C@@H](c2ccccc2)c2ccccn2)c(-c2nn[n-]n2)c1 ZINC000737647399 598679094 /nfs/dbraw/zinc/67/90/94/598679094.db2.gz DMWGJNINWPZKKW-IBGZPJMESA-N -1 3 360.396 3.280 20 0 FGADHM Cc1oc(NC(=O)CN(C)[C@@H](C)c2ccccc2C)c(-c2nnn[n-]2)c1C ZINC000822345858 607364602 /nfs/dbraw/zinc/36/46/02/607364602.db2.gz UVLSUDZKCMRBCF-ZDUSSCGKSA-N -1 3 368.441 3.016 20 0 FGADHM O=C(C=Cc1ccc(Cl)cc1)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737795722 598702989 /nfs/dbraw/zinc/70/29/89/598702989.db2.gz LEWXIFDXPCBRQK-BAQGIRSFSA-N -1 3 358.760 3.416 20 0 FGADHM O=C(C=Cc1ccc(Cl)cc1)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737795722 598702990 /nfs/dbraw/zinc/70/29/90/598702990.db2.gz LEWXIFDXPCBRQK-BAQGIRSFSA-N -1 3 358.760 3.416 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)c1ccc(F)cc1Cl ZINC000738236044 598704151 /nfs/dbraw/zinc/70/41/51/598704151.db2.gz QIFSTKLFMPOINH-UHFFFAOYSA-N -1 3 350.712 3.155 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)c1ccc(F)cc1Cl ZINC000738236044 598704152 /nfs/dbraw/zinc/70/41/52/598704152.db2.gz QIFSTKLFMPOINH-UHFFFAOYSA-N -1 3 350.712 3.155 20 0 FGADHM CC[C@H](Sc1ccccc1)C(=O)N(C)c1cccc(-c2nnn[n-]2)c1 ZINC000736389023 598721718 /nfs/dbraw/zinc/72/17/18/598721718.db2.gz ASKKAQPRQSUPMV-INIZCTEOSA-N -1 3 353.451 3.400 20 0 FGADHM CC[C@H](Sc1ccccc1)C(=O)N(C)c1cccc(-c2nn[n-]n2)c1 ZINC000736389023 598721720 /nfs/dbraw/zinc/72/17/20/598721720.db2.gz ASKKAQPRQSUPMV-INIZCTEOSA-N -1 3 353.451 3.400 20 0 FGADHM O=C(OCc1cc(-c2nnn[n-]2)ccc1F)c1ccc(-c2ccccc2)[nH]1 ZINC000738236906 598725420 /nfs/dbraw/zinc/72/54/20/598725420.db2.gz UNDDBCQVQMZKFA-UHFFFAOYSA-N -1 3 363.352 3.358 20 0 FGADHM O=C(OCc1cc(-c2nn[n-]n2)ccc1F)c1ccc(-c2ccccc2)[nH]1 ZINC000738236906 598725421 /nfs/dbraw/zinc/72/54/21/598725421.db2.gz UNDDBCQVQMZKFA-UHFFFAOYSA-N -1 3 363.352 3.358 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)CCc1ccccc1C ZINC000736637559 598736313 /nfs/dbraw/zinc/73/63/13/598736313.db2.gz SHOOIXYXVCJJEJ-UHFFFAOYSA-N -1 3 351.410 3.145 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)CCc1ccccc1C ZINC000736637559 598736314 /nfs/dbraw/zinc/73/63/14/598736314.db2.gz SHOOIXYXVCJJEJ-UHFFFAOYSA-N -1 3 351.410 3.145 20 0 FGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H](C)Cc1ccccc1 ZINC000735904405 598741124 /nfs/dbraw/zinc/74/11/24/598741124.db2.gz OLCBRUAKZGOYKJ-AWEZNQCLSA-N -1 3 365.437 3.471 20 0 FGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H](C)Cc1ccccc1 ZINC000735904405 598741125 /nfs/dbraw/zinc/74/11/25/598741125.db2.gz OLCBRUAKZGOYKJ-AWEZNQCLSA-N -1 3 365.437 3.471 20 0 FGADHM CCSc1ccc([C@H](C)NC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736664587 598745457 /nfs/dbraw/zinc/74/54/57/598745457.db2.gz APEBROXHZYKBJB-LBPRGKRZSA-N -1 3 353.451 3.470 20 0 FGADHM CCSc1ccc([C@H](C)NC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736664587 598745458 /nfs/dbraw/zinc/74/54/58/598745458.db2.gz APEBROXHZYKBJB-LBPRGKRZSA-N -1 3 353.451 3.470 20 0 FGADHM O=C(C=CC1CCOCC1)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000737795715 598752596 /nfs/dbraw/zinc/75/25/96/598752596.db2.gz LCJJOAGOYNPAIW-VOTSOKGWSA-N -1 3 373.482 3.118 20 0 FGADHM O=C(/C=C/C1CCOCC1)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000737795715 598752597 /nfs/dbraw/zinc/75/25/97/598752597.db2.gz LCJJOAGOYNPAIW-VOTSOKGWSA-N -1 3 373.482 3.118 20 0 FGADHM O=C(Nc1cccc(Oc2ccncc2)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000738183532 598754350 /nfs/dbraw/zinc/75/43/50/598754350.db2.gz JDUYMBMUGFETSS-UHFFFAOYSA-N -1 3 358.361 3.306 20 0 FGADHM O=C(Nc1cccc(Oc2ccncc2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000738183532 598754352 /nfs/dbraw/zinc/75/43/52/598754352.db2.gz JDUYMBMUGFETSS-UHFFFAOYSA-N -1 3 358.361 3.306 20 0 FGADHM COC(=O)c1ccc(Cl)cc1OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000736948929 598757347 /nfs/dbraw/zinc/75/73/47/598757347.db2.gz YJJQXLRAVPDYCR-UHFFFAOYSA-N -1 3 362.748 3.025 20 0 FGADHM COC(=O)c1ccc(Cl)cc1OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000736948929 598757350 /nfs/dbraw/zinc/75/73/50/598757350.db2.gz YJJQXLRAVPDYCR-UHFFFAOYSA-N -1 3 362.748 3.025 20 0 FGADHM CC(C)c1ccsc1C(=O)OCC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824352514 607366413 /nfs/dbraw/zinc/36/64/13/607366413.db2.gz GQEABVSRRWQYNR-UHFFFAOYSA-N -1 3 356.407 3.091 20 0 FGADHM CC(C)c1ccsc1C(=O)OCC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824352514 607366415 /nfs/dbraw/zinc/36/64/15/607366415.db2.gz GQEABVSRRWQYNR-UHFFFAOYSA-N -1 3 356.407 3.091 20 0 FGADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1ccc(Cl)cc1F ZINC000736185085 598762415 /nfs/dbraw/zinc/76/24/15/598762415.db2.gz SMQKMWYVEXPNMI-VIFPVBQESA-N -1 3 361.764 3.065 20 0 FGADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1ccc(Cl)cc1F ZINC000736185085 598762416 /nfs/dbraw/zinc/76/24/16/598762416.db2.gz SMQKMWYVEXPNMI-VIFPVBQESA-N -1 3 361.764 3.065 20 0 FGADHM Cc1ccc(CCNc2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)o1 ZINC000737337484 598770681 /nfs/dbraw/zinc/77/06/81/598770681.db2.gz NQZQXAKEFWMMFE-UHFFFAOYSA-N -1 3 356.336 3.249 20 0 FGADHM Cc1ccc(CCNc2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)o1 ZINC000737337484 598770682 /nfs/dbraw/zinc/77/06/82/598770682.db2.gz NQZQXAKEFWMMFE-UHFFFAOYSA-N -1 3 356.336 3.249 20 0 FGADHM CC(C)n1cc([C@H](C)NC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cn1 ZINC000736116815 598781087 /nfs/dbraw/zinc/78/10/87/598781087.db2.gz NIHWSLGDORQDPD-JTQLQIEISA-N -1 3 374.836 3.180 20 0 FGADHM CC(C)n1cc([C@H](C)NC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cn1 ZINC000736116815 598781088 /nfs/dbraw/zinc/78/10/88/598781088.db2.gz NIHWSLGDORQDPD-JTQLQIEISA-N -1 3 374.836 3.180 20 0 FGADHM CC(C)(O)CNc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000735680681 598786410 /nfs/dbraw/zinc/78/64/10/598786410.db2.gz XAFRTZAJACIJRQ-UHFFFAOYSA-N -1 3 373.844 3.282 20 0 FGADHM CC(C)(O)CNc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000735680681 598786411 /nfs/dbraw/zinc/78/64/11/598786411.db2.gz XAFRTZAJACIJRQ-UHFFFAOYSA-N -1 3 373.844 3.282 20 0 FGADHM CC(C)CN(C(=O)CO[C@H]1CCC[C@@H](C)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000735819499 598789651 /nfs/dbraw/zinc/78/96/51/598789651.db2.gz WRUXYMPSDGHJAK-QAPCUYQASA-N -1 3 371.485 3.451 20 0 FGADHM CC(C)CN(C(=O)CO[C@H]1CCC[C@@H](C)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000735819499 598789652 /nfs/dbraw/zinc/78/96/52/598789652.db2.gz WRUXYMPSDGHJAK-QAPCUYQASA-N -1 3 371.485 3.451 20 0 FGADHM COc1cccc(CCNc2ccc(Cl)cc2-c2nnn[n-]2)c1OC ZINC000737131056 598795071 /nfs/dbraw/zinc/79/50/71/598795071.db2.gz NRIXQIJAZZXUDI-UHFFFAOYSA-N -1 3 359.817 3.192 20 0 FGADHM COc1cccc(CCNc2ccc(Cl)cc2-c2nn[n-]n2)c1OC ZINC000737131056 598795073 /nfs/dbraw/zinc/79/50/73/598795073.db2.gz NRIXQIJAZZXUDI-UHFFFAOYSA-N -1 3 359.817 3.192 20 0 FGADHM Cc1cc(O[C@@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)cn2)ccc1C(C)C ZINC000737280442 598803346 /nfs/dbraw/zinc/80/33/46/598803346.db2.gz WACCAFSCJODGNR-ZDUSSCGKSA-N -1 3 366.425 3.100 20 0 FGADHM Cc1cc(O[C@@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)cn2)ccc1C(C)C ZINC000737280442 598803347 /nfs/dbraw/zinc/80/33/47/598803347.db2.gz WACCAFSCJODGNR-ZDUSSCGKSA-N -1 3 366.425 3.100 20 0 FGADHM CC(C)CN(C(=O)CO[C@H]1CCCC[C@@H]1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000735819112 598803757 /nfs/dbraw/zinc/80/37/57/598803757.db2.gz SOGLMMVKAFLLIR-YJBOKZPZSA-N -1 3 371.485 3.451 20 0 FGADHM CC(C)CN(C(=O)CO[C@H]1CCCC[C@@H]1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000735819112 598803758 /nfs/dbraw/zinc/80/37/58/598803758.db2.gz SOGLMMVKAFLLIR-YJBOKZPZSA-N -1 3 371.485 3.451 20 0 FGADHM CCN(C(=O)CCc1csc(C)n1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736505399 598804314 /nfs/dbraw/zinc/80/43/14/598804314.db2.gz MVPXHCUZFRVORY-LBPRGKRZSA-N -1 3 370.482 3.174 20 0 FGADHM CCN(C(=O)CCc1csc(C)n1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736505399 598804316 /nfs/dbraw/zinc/80/43/16/598804316.db2.gz MVPXHCUZFRVORY-LBPRGKRZSA-N -1 3 370.482 3.174 20 0 FGADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)Nc1ccc(OCC2CC2)cc1 ZINC000737854584 598806858 /nfs/dbraw/zinc/80/68/58/598806858.db2.gz SLGLELMHIWJALR-UHFFFAOYSA-N -1 3 363.421 3.227 20 0 FGADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)Nc1ccc(OCC2CC2)cc1 ZINC000737854584 598806860 /nfs/dbraw/zinc/80/68/60/598806860.db2.gz SLGLELMHIWJALR-UHFFFAOYSA-N -1 3 363.421 3.227 20 0 FGADHM CC(C)C[C@@H](C)CC(=O)Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000735760543 598808062 /nfs/dbraw/zinc/80/80/62/598808062.db2.gz CXQZVULLOAAHGW-CYBMUJFWSA-N -1 3 353.430 3.063 20 0 FGADHM COc1ccc2[nH]cc(CCNc3c(F)cc(-c4nnn[n-]4)cc3F)c2c1 ZINC000737113700 598817807 /nfs/dbraw/zinc/81/78/07/598817807.db2.gz FFCORMVGPBUMKZ-UHFFFAOYSA-N -1 3 370.363 3.289 20 0 FGADHM COc1ccc2[nH]cc(CCNc3c(F)cc(-c4nn[n-]n4)cc3F)c2c1 ZINC000737113700 598817809 /nfs/dbraw/zinc/81/78/09/598817809.db2.gz FFCORMVGPBUMKZ-UHFFFAOYSA-N -1 3 370.363 3.289 20 0 FGADHM Cc1cc(C(=O)Nc2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)on1 ZINC000737238728 598821856 /nfs/dbraw/zinc/82/18/56/598821856.db2.gz REELQXOOMJVNTK-UHFFFAOYSA-N -1 3 362.349 3.208 20 0 FGADHM Cc1cc(C(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)on1 ZINC000737238728 598821857 /nfs/dbraw/zinc/82/18/57/598821857.db2.gz REELQXOOMJVNTK-UHFFFAOYSA-N -1 3 362.349 3.208 20 0 FGADHM Cc1ccc(N(C)C(=O)CCc2ccc(-c3nnn[n-]3)cc2)cc1Cl ZINC000737347355 598822745 /nfs/dbraw/zinc/82/27/45/598822745.db2.gz NWTUQMRXCINAFC-UHFFFAOYSA-N -1 3 355.829 3.424 20 0 FGADHM Cc1ccc(N(C)C(=O)CCc2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC000737347355 598822746 /nfs/dbraw/zinc/82/27/46/598822746.db2.gz NWTUQMRXCINAFC-UHFFFAOYSA-N -1 3 355.829 3.424 20 0 FGADHM C[C@@H]1SCCN(C(=O)c2sccc2-c2nnn[n-]2)[C@@H]1c1ccccc1 ZINC000736304426 599303068 /nfs/dbraw/zinc/30/30/68/599303068.db2.gz VXMYNSKEZYNPAD-FZMZJTMJSA-N -1 3 371.491 3.247 20 0 FGADHM C[C@@H]1SCCN(C(=O)c2sccc2-c2nn[n-]n2)[C@@H]1c1ccccc1 ZINC000736304426 599303072 /nfs/dbraw/zinc/30/30/72/599303072.db2.gz VXMYNSKEZYNPAD-FZMZJTMJSA-N -1 3 371.491 3.247 20 0 FGADHM CN(C(=O)CSc1ccccc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000736738990 599305771 /nfs/dbraw/zinc/30/57/71/599305771.db2.gz GJULQAXYPZOLFC-UHFFFAOYSA-N -1 3 359.842 3.275 20 0 FGADHM CN(C(=O)CSc1ccccc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000736738990 599305774 /nfs/dbraw/zinc/30/57/74/599305774.db2.gz GJULQAXYPZOLFC-UHFFFAOYSA-N -1 3 359.842 3.275 20 0 FGADHM CCN(C(=O)Cn1c(C)cc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000736505508 599308993 /nfs/dbraw/zinc/30/89/93/599308993.db2.gz KQRCERLCUZRYKG-UHFFFAOYSA-N -1 3 360.421 3.183 20 0 FGADHM CCN(C(=O)Cn1c(C)cc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000736505508 599308995 /nfs/dbraw/zinc/30/89/95/599308995.db2.gz KQRCERLCUZRYKG-UHFFFAOYSA-N -1 3 360.421 3.183 20 0 FGADHM CCN(C(=O)Cc1ccc2c(c1)CCCC2)c1ccc(-c2nnn[n-]2)cc1 ZINC000736505930 599309573 /nfs/dbraw/zinc/30/95/73/599309573.db2.gz VEVXAOVWSYUANQ-UHFFFAOYSA-N -1 3 361.449 3.341 20 0 FGADHM CCN(C(=O)Cc1ccc2c(c1)CCCC2)c1ccc(-c2nn[n-]n2)cc1 ZINC000736505930 599309578 /nfs/dbraw/zinc/30/95/78/599309578.db2.gz VEVXAOVWSYUANQ-UHFFFAOYSA-N -1 3 361.449 3.341 20 0 FGADHM COCCOc1ccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c(C)c1 ZINC000737015231 599324336 /nfs/dbraw/zinc/32/43/36/599324336.db2.gz NDPDVHYJWTYMQN-AWEZNQCLSA-N -1 3 353.426 3.373 20 0 FGADHM COCCOc1ccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c(C)c1 ZINC000737015231 599324339 /nfs/dbraw/zinc/32/43/39/599324339.db2.gz NDPDVHYJWTYMQN-AWEZNQCLSA-N -1 3 353.426 3.373 20 0 FGADHM O=C(Nc1cc(C2CCCCCC2)[nH]n1)c1cccc(-c2nnn[n-]2)c1 ZINC000738145509 599347968 /nfs/dbraw/zinc/34/79/68/599347968.db2.gz MZZNCQDWKQOVJN-UHFFFAOYSA-N -1 3 351.414 3.280 20 0 FGADHM O=C(Nc1cc(C2CCCCCC2)[nH]n1)c1cccc(-c2nn[n-]n2)c1 ZINC000738145509 599347970 /nfs/dbraw/zinc/34/79/70/599347970.db2.gz MZZNCQDWKQOVJN-UHFFFAOYSA-N -1 3 351.414 3.280 20 0 FGADHM CC(C)[C@H](Sc1ccccc1-c1nnn[n-]1)C(=O)NC1CCCCC1 ZINC000820032617 599349144 /nfs/dbraw/zinc/34/91/44/599349144.db2.gz OVUKSBNCJOYFHH-INIZCTEOSA-N -1 3 359.499 3.432 20 0 FGADHM CC(C)[C@H](Sc1ccccc1-c1nn[n-]n1)C(=O)NC1CCCCC1 ZINC000820032617 599349146 /nfs/dbraw/zinc/34/91/46/599349146.db2.gz OVUKSBNCJOYFHH-INIZCTEOSA-N -1 3 359.499 3.432 20 0 FGADHM Cc1sc(NC(=O)C2(c3ccccc3F)CC2)c(-c2nnn[n-]2)c1C ZINC000737563733 599370796 /nfs/dbraw/zinc/37/07/96/599370796.db2.gz SRJVIJCBKPNADE-UHFFFAOYSA-N -1 3 357.414 3.354 20 0 FGADHM Cc1sc(NC(=O)C2(c3ccccc3F)CC2)c(-c2nn[n-]n2)c1C ZINC000737563733 599370799 /nfs/dbraw/zinc/37/07/99/599370799.db2.gz SRJVIJCBKPNADE-UHFFFAOYSA-N -1 3 357.414 3.354 20 0 FGADHM CO[C@H](C)C(=O)Nc1cccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821673563 599372028 /nfs/dbraw/zinc/37/20/28/599372028.db2.gz FPBMTWHKESNMCA-QWHCGFSZSA-N -1 3 366.425 3.013 20 0 FGADHM CO[C@H](C)C(=O)Nc1cccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821673563 599372032 /nfs/dbraw/zinc/37/20/32/599372032.db2.gz FPBMTWHKESNMCA-QWHCGFSZSA-N -1 3 366.425 3.013 20 0 FGADHM C[C@H](NCc1ccc(-c2nnn[n-]2)o1)c1ccc(OC(F)(F)F)cc1 ZINC000820431079 599397534 /nfs/dbraw/zinc/39/75/34/599397534.db2.gz AFBVZHLPZHLPQL-VIFPVBQESA-N -1 3 353.304 3.209 20 0 FGADHM O[C@H](CNc1cc(-c2nnn[n-]2)c2ccccc2n1)c1ccc(Cl)cc1 ZINC000738381513 599403097 /nfs/dbraw/zinc/40/30/97/599403097.db2.gz HJNRDNLCFAYNKS-MRXNPFEDSA-N -1 3 366.812 3.214 20 0 FGADHM O[C@H](CNc1cc(-c2nn[n-]n2)c2ccccc2n1)c1ccc(Cl)cc1 ZINC000738381513 599403099 /nfs/dbraw/zinc/40/30/99/599403099.db2.gz HJNRDNLCFAYNKS-MRXNPFEDSA-N -1 3 366.812 3.214 20 0 FGADHM Fc1cccc(Oc2ncccc2CNCc2ccc(-c3nnn[n-]3)o2)c1 ZINC000822791915 599404440 /nfs/dbraw/zinc/40/44/40/599404440.db2.gz NBGSFISPVQCKSO-UHFFFAOYSA-N -1 3 366.356 3.076 20 0 FGADHM Fc1cccc(Oc2ncccc2CNCc2ccc(-c3nn[n-]n3)o2)c1 ZINC000822791915 599404442 /nfs/dbraw/zinc/40/44/42/599404442.db2.gz NBGSFISPVQCKSO-UHFFFAOYSA-N -1 3 366.356 3.076 20 0 FGADHM COc1ccc(CNc2cccc(NC(=O)C(C)C)c2)cc1-c1nnn[n-]1 ZINC000821825327 599409550 /nfs/dbraw/zinc/40/95/50/599409550.db2.gz WRYOPFCDGPUPFD-UHFFFAOYSA-N -1 3 366.425 3.082 20 0 FGADHM COc1ccc(CNc2cccc(NC(=O)C(C)C)c2)cc1-c1nn[n-]n1 ZINC000821825327 599409553 /nfs/dbraw/zinc/40/95/53/599409553.db2.gz WRYOPFCDGPUPFD-UHFFFAOYSA-N -1 3 366.425 3.082 20 0 FGADHM CC(C)Oc1ccc(CNc2cc(-c3nnn[n-]3)c3ccccc3n2)cn1 ZINC000735914827 599410226 /nfs/dbraw/zinc/41/02/26/599410226.db2.gz KLBRESKWTOREGA-UHFFFAOYSA-N -1 3 361.409 3.209 20 0 FGADHM CC(C)Oc1ccc(CNc2cc(-c3nn[n-]n3)c3ccccc3n2)cn1 ZINC000735914827 599410229 /nfs/dbraw/zinc/41/02/29/599410229.db2.gz KLBRESKWTOREGA-UHFFFAOYSA-N -1 3 361.409 3.209 20 0 FGADHM C[C@H](NC(=O)N1CC[C@@H]1c1cccc(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820339227 599419441 /nfs/dbraw/zinc/41/94/41/599419441.db2.gz ACKIVQLECSZZJZ-YVEFUNNKSA-N -1 3 366.400 3.223 20 0 FGADHM C[C@H](NC(=O)N1CC[C@@H]1c1cccc(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820339227 599419442 /nfs/dbraw/zinc/41/94/42/599419442.db2.gz ACKIVQLECSZZJZ-YVEFUNNKSA-N -1 3 366.400 3.223 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1COc1ccccc1Br ZINC000821749498 607375951 /nfs/dbraw/zinc/37/59/51/607375951.db2.gz PHOHEUHPXGCQDU-UHFFFAOYSA-N -1 3 361.199 3.217 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1COc1ccccc1Br ZINC000821749498 607375953 /nfs/dbraw/zinc/37/59/53/607375953.db2.gz PHOHEUHPXGCQDU-UHFFFAOYSA-N -1 3 361.199 3.217 20 0 FGADHM Cc1ccc2c(c1)CC[C@H]2NC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822275167 599423533 /nfs/dbraw/zinc/42/35/33/599423533.db2.gz OUDIMFTYNFJWJH-FZKQIMNGSA-N -1 3 362.437 3.223 20 0 FGADHM Cc1ccc2c(c1)CC[C@H]2NC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822275167 599423535 /nfs/dbraw/zinc/42/35/35/599423535.db2.gz OUDIMFTYNFJWJH-FZKQIMNGSA-N -1 3 362.437 3.223 20 0 FGADHM C[C@@H](NC(=O)NCCc1ccccc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000820364408 599424214 /nfs/dbraw/zinc/42/42/14/599424214.db2.gz ABFWSCDKGPRDPQ-GFCCVEGCSA-N -1 3 370.844 3.123 20 0 FGADHM C[C@@H](NC(=O)NCCc1ccccc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000820364408 599424215 /nfs/dbraw/zinc/42/42/15/599424215.db2.gz ABFWSCDKGPRDPQ-GFCCVEGCSA-N -1 3 370.844 3.123 20 0 FGADHM C[C@H](NC(=O)NCc1ccc(F)c(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820372666 599429960 /nfs/dbraw/zinc/42/99/60/599429960.db2.gz AZQILLUYEZLURA-JTQLQIEISA-N -1 3 374.807 3.220 20 0 FGADHM C[C@H](NC(=O)NCc1ccc(F)c(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820372666 599429964 /nfs/dbraw/zinc/42/99/64/599429964.db2.gz AZQILLUYEZLURA-JTQLQIEISA-N -1 3 374.807 3.220 20 0 FGADHM CCc1ccc(CCNC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821483174 599443051 /nfs/dbraw/zinc/44/30/51/599443051.db2.gz ZPUIOMCHFDQJFT-CQSZACIVSA-N -1 3 364.453 3.032 20 0 FGADHM CCc1ccc(CCNC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821483174 599443053 /nfs/dbraw/zinc/44/30/53/599443053.db2.gz ZPUIOMCHFDQJFT-CQSZACIVSA-N -1 3 364.453 3.032 20 0 FGADHM COc1ccc(CN(C)c2c(Cl)cccc2-c2nnn[n-]2)c(OC)c1 ZINC000821795311 599465421 /nfs/dbraw/zinc/46/54/21/599465421.db2.gz XIQQMTQOGYLGNS-UHFFFAOYSA-N -1 3 359.817 3.174 20 0 FGADHM COc1ccc(CN(C)c2c(Cl)cccc2-c2nn[n-]n2)c(OC)c1 ZINC000821795311 599465423 /nfs/dbraw/zinc/46/54/23/599465423.db2.gz XIQQMTQOGYLGNS-UHFFFAOYSA-N -1 3 359.817 3.174 20 0 FGADHM Cc1ccc(CN(C)C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822236083 599472252 /nfs/dbraw/zinc/47/22/52/599472252.db2.gz JJKDOGAYDXYPAZ-CQSZACIVSA-N -1 3 350.426 3.078 20 0 FGADHM Cc1ccc(CN(C)C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822236083 599472255 /nfs/dbraw/zinc/47/22/55/599472255.db2.gz JJKDOGAYDXYPAZ-CQSZACIVSA-N -1 3 350.426 3.078 20 0 FGADHM C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1c1nc2c(cc1-c1nnn[n-]1)CCC2 ZINC000736233656 599472450 /nfs/dbraw/zinc/47/24/50/599472450.db2.gz GCUZPLOCULUVOV-IUODEOHRSA-N -1 3 364.428 3.272 20 0 FGADHM C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1c1nc2c(cc1-c1nn[n-]n1)CCC2 ZINC000736233656 599472453 /nfs/dbraw/zinc/47/24/53/599472453.db2.gz GCUZPLOCULUVOV-IUODEOHRSA-N -1 3 364.428 3.272 20 0 FGADHM C[C@@H](NC(=O)N(C)C[C@@H](C)c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820252759 599473519 /nfs/dbraw/zinc/47/35/19/599473519.db2.gz DEVDUSHOXRFLIT-HUUCEWRRSA-N -1 3 364.453 3.373 20 0 FGADHM C[C@@H](NC(=O)N(C)C[C@@H](C)c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820252759 599473521 /nfs/dbraw/zinc/47/35/21/599473521.db2.gz DEVDUSHOXRFLIT-HUUCEWRRSA-N -1 3 364.453 3.373 20 0 FGADHM O=C1CCCN1c1cccc(CNc2c(Cl)cccc2-c2nnn[n-]2)c1 ZINC000823530791 599475013 /nfs/dbraw/zinc/47/50/13/599475013.db2.gz RUNBJIVZQSJYOC-UHFFFAOYSA-N -1 3 368.828 3.259 20 0 FGADHM O=C1CCCN1c1cccc(CNc2c(Cl)cccc2-c2nn[n-]n2)c1 ZINC000823530791 599475016 /nfs/dbraw/zinc/47/50/16/599475016.db2.gz RUNBJIVZQSJYOC-UHFFFAOYSA-N -1 3 368.828 3.259 20 0 FGADHM CCO[C@@H](C)c1nc(CN(C)Cc2cccc(-c3nnn[n-]3)c2)cs1 ZINC000736615213 599475141 /nfs/dbraw/zinc/47/51/41/599475141.db2.gz JGAGXSWVAGKSPV-LBPRGKRZSA-N -1 3 358.471 3.053 20 0 FGADHM CCO[C@@H](C)c1nc(CN(C)Cc2cccc(-c3nn[n-]n3)c2)cs1 ZINC000736615213 599475144 /nfs/dbraw/zinc/47/51/44/599475144.db2.gz JGAGXSWVAGKSPV-LBPRGKRZSA-N -1 3 358.471 3.053 20 0 FGADHM C[C@H](NC(=O)N1CCc2sccc2[C@H]1C)c1cccc(-c2nnn[n-]2)c1 ZINC000820353075 599478939 /nfs/dbraw/zinc/47/89/39/599478939.db2.gz XUUGRPZZPJTWNN-NWDGAFQWSA-N -1 3 368.466 3.318 20 0 FGADHM C[C@H](NC(=O)N1CCc2sccc2[C@H]1C)c1cccc(-c2nn[n-]n2)c1 ZINC000820353075 599478941 /nfs/dbraw/zinc/47/89/41/599478941.db2.gz XUUGRPZZPJTWNN-NWDGAFQWSA-N -1 3 368.466 3.318 20 0 FGADHM CCO[C@@H](C)c1noc(CS[C@H](C)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000736617990 599480673 /nfs/dbraw/zinc/48/06/73/599480673.db2.gz SZKJABZSKLRFAA-WDEREUQCSA-N -1 3 360.443 3.342 20 0 FGADHM CCO[C@@H](C)c1noc(CS[C@H](C)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000736617990 599480676 /nfs/dbraw/zinc/48/06/76/599480676.db2.gz SZKJABZSKLRFAA-WDEREUQCSA-N -1 3 360.443 3.342 20 0 FGADHM COc1ccc(OC2CCN(c3ccc(F)cc3-c3nnn[n-]3)CC2)cc1 ZINC000821842601 599482914 /nfs/dbraw/zinc/48/29/14/599482914.db2.gz SWODVTNYMTUGEA-UHFFFAOYSA-N -1 3 369.400 3.062 20 0 FGADHM COc1ccc(OC2CCN(c3ccc(F)cc3-c3nn[n-]n3)CC2)cc1 ZINC000821842601 599482916 /nfs/dbraw/zinc/48/29/16/599482916.db2.gz SWODVTNYMTUGEA-UHFFFAOYSA-N -1 3 369.400 3.062 20 0 FGADHM Cc1ccc([C@H]2CCCN2C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)o1 ZINC000822233100 599485107 /nfs/dbraw/zinc/48/51/07/599485107.db2.gz HWOZKPIUPOAXIQ-XJKSGUPXSA-N -1 3 366.425 3.376 20 0 FGADHM Cc1ccc([C@H]2CCCN2C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)o1 ZINC000822233100 599485109 /nfs/dbraw/zinc/48/51/09/599485109.db2.gz HWOZKPIUPOAXIQ-XJKSGUPXSA-N -1 3 366.425 3.376 20 0 FGADHM Fc1ccc(N2CCO[C@H](c3ccc(Cl)cc3)C2)c(-c2nnn[n-]2)c1 ZINC000822778037 599489334 /nfs/dbraw/zinc/48/93/34/599489334.db2.gz BAUIHQTWZOLSSV-INIZCTEOSA-N -1 3 359.792 3.237 20 0 FGADHM Fc1ccc(N2CCO[C@H](c3ccc(Cl)cc3)C2)c(-c2nn[n-]n2)c1 ZINC000822778037 599489337 /nfs/dbraw/zinc/48/93/37/599489337.db2.gz BAUIHQTWZOLSSV-INIZCTEOSA-N -1 3 359.792 3.237 20 0 FGADHM Fc1ccc(NC[C@H]2CCN(c3ccc(F)c(F)c3)C2)c(-c2nnn[n-]2)c1 ZINC000822778201 599498830 /nfs/dbraw/zinc/49/88/30/599498830.db2.gz FORGIDGABMCYNM-LLVKDONJSA-N -1 3 374.370 3.222 20 0 FGADHM Fc1ccc(NC[C@H]2CCN(c3ccc(F)c(F)c3)C2)c(-c2nn[n-]n2)c1 ZINC000822778201 599498833 /nfs/dbraw/zinc/49/88/33/599498833.db2.gz FORGIDGABMCYNM-LLVKDONJSA-N -1 3 374.370 3.222 20 0 FGADHM COc1cccc2cc(C(=O)N[C@H](C)c3cccc(-c4nnn[n-]4)c3)oc21 ZINC000821877754 599505230 /nfs/dbraw/zinc/50/52/30/599505230.db2.gz UBCIEUPQUUKDOX-LLVKDONJSA-N -1 3 363.377 3.113 20 0 FGADHM COc1cccc2cc(C(=O)N[C@H](C)c3cccc(-c4nn[n-]n4)c3)oc21 ZINC000821877754 599505234 /nfs/dbraw/zinc/50/52/34/599505234.db2.gz UBCIEUPQUUKDOX-LLVKDONJSA-N -1 3 363.377 3.113 20 0 FGADHM CCOc1c(OC)cc(CNc2ccc(F)cc2-c2nnn[n-]2)cc1OC ZINC000821388993 599506769 /nfs/dbraw/zinc/50/67/69/599506769.db2.gz DQIHIAZBJQRZBN-UHFFFAOYSA-N -1 3 373.388 3.034 20 0 FGADHM CCOc1c(OC)cc(CNc2ccc(F)cc2-c2nn[n-]n2)cc1OC ZINC000821388993 599506771 /nfs/dbraw/zinc/50/67/71/599506771.db2.gz DQIHIAZBJQRZBN-UHFFFAOYSA-N -1 3 373.388 3.034 20 0 FGADHM C[C@@H](NC(=O)C[C@H](C)c1cccc(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820218864 599513500 /nfs/dbraw/zinc/51/35/00/599513500.db2.gz AVYUKSPWEMJIPO-QWHCGFSZSA-N -1 3 353.401 3.377 20 0 FGADHM C[C@@H](NC(=O)C[C@H](C)c1cccc(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820218864 599513502 /nfs/dbraw/zinc/51/35/02/599513502.db2.gz AVYUKSPWEMJIPO-QWHCGFSZSA-N -1 3 353.401 3.377 20 0 FGADHM C[C@H](NC(=O)C1(c2cccc(Cl)c2)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820323795 599514181 /nfs/dbraw/zinc/51/41/81/599514181.db2.gz ZDZGIMJHWHKQAI-LBPRGKRZSA-N -1 3 367.840 3.429 20 0 FGADHM C[C@H](NC(=O)C1(c2cccc(Cl)c2)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820323795 599514183 /nfs/dbraw/zinc/51/41/83/599514183.db2.gz ZDZGIMJHWHKQAI-LBPRGKRZSA-N -1 3 367.840 3.429 20 0 FGADHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(NCc3ccc4c(c3)CCO4)c2c1 ZINC000822196584 599517300 /nfs/dbraw/zinc/51/73/00/599517300.db2.gz OTBKCLAWGVHIIY-UHFFFAOYSA-N -1 3 372.432 3.001 20 0 FGADHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(NCc3ccc4c(c3)CCO4)c2c1 ZINC000822196584 599517301 /nfs/dbraw/zinc/51/73/01/599517301.db2.gz OTBKCLAWGVHIIY-UHFFFAOYSA-N -1 3 372.432 3.001 20 0 FGADHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(N3CCC[C@@H](n4ccnc4)C3)c2c1 ZINC000822195558 599523554 /nfs/dbraw/zinc/52/35/54/599523554.db2.gz WFFWJWJMZLJLQZ-OAHLLOKOSA-N -1 3 374.452 3.070 20 0 FGADHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(N3CCC[C@@H](n4ccnc4)C3)c2c1 ZINC000822195558 599523557 /nfs/dbraw/zinc/52/35/57/599523557.db2.gz WFFWJWJMZLJLQZ-OAHLLOKOSA-N -1 3 374.452 3.070 20 0 FGADHM Cc1cc2[nH]c(C(=O)N[C@H](C)c3cccc(-c4nnn[n-]4)c3)cc2c(C)c1 ZINC000822195296 599526802 /nfs/dbraw/zinc/52/68/02/599526802.db2.gz NSIOEHMCRLUEPS-CYBMUJFWSA-N -1 3 360.421 3.456 20 0 FGADHM Cc1cc2[nH]c(C(=O)N[C@H](C)c3cccc(-c4nn[n-]n4)c3)cc2c(C)c1 ZINC000822195296 599526805 /nfs/dbraw/zinc/52/68/05/599526805.db2.gz NSIOEHMCRLUEPS-CYBMUJFWSA-N -1 3 360.421 3.456 20 0 FGADHM Cc1cc(C)n([C@H]2CCCN(c3c(Cl)cccc3-c3nnn[n-]3)C2)n1 ZINC000822197650 599538542 /nfs/dbraw/zinc/53/85/42/599538542.db2.gz JPQSMASQAAODQB-ZDUSSCGKSA-N -1 3 357.849 3.175 20 0 FGADHM Cc1cc(C)n([C@H]2CCCN(c3c(Cl)cccc3-c3nn[n-]n3)C2)n1 ZINC000822197650 599538543 /nfs/dbraw/zinc/53/85/43/599538543.db2.gz JPQSMASQAAODQB-ZDUSSCGKSA-N -1 3 357.849 3.175 20 0 FGADHM Cc1ccc(-c2ocnc2C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822224219 599542593 /nfs/dbraw/zinc/54/25/93/599542593.db2.gz ZZXVCUJIEHDAES-ZDUSSCGKSA-N -1 3 374.404 3.321 20 0 FGADHM Cc1ccc(-c2ocnc2C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822224219 599542595 /nfs/dbraw/zinc/54/25/95/599542595.db2.gz ZZXVCUJIEHDAES-ZDUSSCGKSA-N -1 3 374.404 3.321 20 0 FGADHM Cc1cccc2c(CC(=O)N[C@@H](C)c3cccc(-c4nnn[n-]4)c3)c[nH]c21 ZINC000822331962 599543239 /nfs/dbraw/zinc/54/32/39/599543239.db2.gz JWMXJWOHVWSZNK-ZDUSSCGKSA-N -1 3 360.421 3.076 20 0 FGADHM Cc1cccc2c(CC(=O)N[C@@H](C)c3cccc(-c4nn[n-]n4)c3)c[nH]c21 ZINC000822331962 599543240 /nfs/dbraw/zinc/54/32/40/599543240.db2.gz JWMXJWOHVWSZNK-ZDUSSCGKSA-N -1 3 360.421 3.076 20 0 FGADHM CC(C)OC1CCN(c2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)CC1 ZINC000820142167 599543445 /nfs/dbraw/zinc/54/34/45/599543445.db2.gz IPJLAKQVHULCAA-UHFFFAOYSA-N -1 3 372.860 3.462 20 0 FGADHM CC(C)OC1CCN(c2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)CC1 ZINC000820142167 599543448 /nfs/dbraw/zinc/54/34/48/599543448.db2.gz IPJLAKQVHULCAA-UHFFFAOYSA-N -1 3 372.860 3.462 20 0 FGADHM Cc1ccc(NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)s1 ZINC000822248785 599551446 /nfs/dbraw/zinc/55/14/46/599551446.db2.gz NRARJVSCPNZYEE-UHFFFAOYSA-N -1 3 354.439 3.433 20 0 FGADHM Cc1ccc(NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)s1 ZINC000822248785 599551447 /nfs/dbraw/zinc/55/14/47/599551447.db2.gz NRARJVSCPNZYEE-UHFFFAOYSA-N -1 3 354.439 3.433 20 0 FGADHM C[C@@H]1c2ccc(F)cc2CCN1C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000736300375 599554328 /nfs/dbraw/zinc/55/43/28/599554328.db2.gz BJVBTPOFLFXQBB-OYVUYXNMSA-N -1 3 363.396 3.165 20 0 FGADHM C[C@@H]1c2ccc(F)cc2CCN1C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000736300375 599554329 /nfs/dbraw/zinc/55/43/29/599554329.db2.gz BJVBTPOFLFXQBB-OYVUYXNMSA-N -1 3 363.396 3.165 20 0 FGADHM CCSCC[C@@H](C)NC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000821461875 599555944 /nfs/dbraw/zinc/55/59/44/599555944.db2.gz VFMFLEHUXYBAKR-LLVKDONJSA-N -1 3 365.507 3.076 20 0 FGADHM CCSCC[C@@H](C)NC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000821461875 599555947 /nfs/dbraw/zinc/55/59/47/599555947.db2.gz VFMFLEHUXYBAKR-LLVKDONJSA-N -1 3 365.507 3.076 20 0 FGADHM C[C@@H](C1CC1)N(C)C(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735963703 599563785 /nfs/dbraw/zinc/56/37/85/599563785.db2.gz KFEWBVBMQJAMGX-ZDUSSCGKSA-N -1 3 362.437 3.481 20 0 FGADHM Cc1cccc(N(C)Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)c1C ZINC000822308320 599565456 /nfs/dbraw/zinc/56/54/56/599565456.db2.gz CSKWBDQQBOSBMC-UHFFFAOYSA-N -1 3 361.409 3.170 20 0 FGADHM Cc1cccc(N(C)Cc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)c1C ZINC000822308320 599565457 /nfs/dbraw/zinc/56/54/57/599565457.db2.gz CSKWBDQQBOSBMC-UHFFFAOYSA-N -1 3 361.409 3.170 20 0 FGADHM c1ccc(OC2CCC2)c(CNc2c(-c3nnn[n-]3)cnc3ccccc32)c1 ZINC000823787762 599565646 /nfs/dbraw/zinc/56/56/46/599565646.db2.gz QKMRLOVBYRWWPR-UHFFFAOYSA-N -1 3 372.432 3.380 20 0 FGADHM c1ccc(OC2CCC2)c(CNc2c(-c3nn[n-]n3)cnc3ccccc32)c1 ZINC000823787762 599565648 /nfs/dbraw/zinc/56/56/48/599565648.db2.gz QKMRLOVBYRWWPR-UHFFFAOYSA-N -1 3 372.432 3.380 20 0 FGADHM C[C@@H](NC(=O)N1CCC2(CCCC2)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736115493 599600329 /nfs/dbraw/zinc/60/03/29/599600329.db2.gz YKIQQKQAVFJYGG-CQSZACIVSA-N -1 3 354.458 3.294 20 0 FGADHM C[C@@H](NC(=O)N1CCC2(CCCC2)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736115493 599600331 /nfs/dbraw/zinc/60/03/31/599600331.db2.gz YKIQQKQAVFJYGG-CQSZACIVSA-N -1 3 354.458 3.294 20 0 FGADHM C[C@H](C(=O)OCc1cn2ccccc2c1-c1nnn[n-]1)c1ccsc1 ZINC000735571991 599606625 /nfs/dbraw/zinc/60/66/25/599606625.db2.gz OBDVQPMEOZRFAQ-NSHDSACASA-N -1 3 353.407 3.028 20 0 FGADHM C[C@H](C(=O)OCc1cn2ccccc2c1-c1nn[n-]n1)c1ccsc1 ZINC000735571991 599606628 /nfs/dbraw/zinc/60/66/28/599606628.db2.gz OBDVQPMEOZRFAQ-NSHDSACASA-N -1 3 353.407 3.028 20 0 FGADHM CC(C)(C)c1ncc(C=CC(=O)OCc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000819966009 599622772 /nfs/dbraw/zinc/62/27/72/599622772.db2.gz SCHKYEHZMIRUQS-HJWRWDBZSA-N -1 3 369.450 3.377 20 0 FGADHM CC(C)(C)c1ncc(C=CC(=O)OCc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000819966009 599622773 /nfs/dbraw/zinc/62/27/73/599622773.db2.gz SCHKYEHZMIRUQS-HJWRWDBZSA-N -1 3 369.450 3.377 20 0 FGADHM CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000820937666 599622973 /nfs/dbraw/zinc/62/29/73/599622973.db2.gz BRHNRAFOIZVKLC-JQFCIGGWSA-N -1 3 358.442 3.284 20 0 FGADHM CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000820937666 599622974 /nfs/dbraw/zinc/62/29/74/599622974.db2.gz BRHNRAFOIZVKLC-JQFCIGGWSA-N -1 3 358.442 3.284 20 0 FGADHM C[C@H](C(=O)OCCOc1ccc(-c2nn[n-]n2)cc1)c1cccc(Cl)c1 ZINC000819883765 599623648 /nfs/dbraw/zinc/62/36/48/599623648.db2.gz MNQGQNSZRKWAOA-LBPRGKRZSA-N -1 3 372.812 3.246 20 0 FGADHM C[C@H]1CC[C@@H](CCC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)O1 ZINC000820690661 599628472 /nfs/dbraw/zinc/62/84/72/599628472.db2.gz PRZCWSGFKGRGKD-QWRGUYRKSA-N -1 3 361.471 3.093 20 0 FGADHM C[C@H]1CC[C@@H](CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)O1 ZINC000820690661 599628473 /nfs/dbraw/zinc/62/84/73/599628473.db2.gz PRZCWSGFKGRGKD-QWRGUYRKSA-N -1 3 361.471 3.093 20 0 FGADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)[C@H]1SCCc2ccccc21 ZINC000823332207 599630012 /nfs/dbraw/zinc/63/00/12/599630012.db2.gz LSWMXLMLFQCPLW-HNNXBMFYSA-N -1 3 371.853 3.489 20 0 FGADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)[C@H]1SCCc2ccccc21 ZINC000823332207 599630013 /nfs/dbraw/zinc/63/00/13/599630013.db2.gz LSWMXLMLFQCPLW-HNNXBMFYSA-N -1 3 371.853 3.489 20 0 FGADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCCCC2)[C@@H]1CCCS1 ZINC000823387711 599630851 /nfs/dbraw/zinc/63/08/51/599630851.db2.gz VJTFYFLUHRIACL-LBPRGKRZSA-N -1 3 363.512 3.421 20 0 FGADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCCCC2)[C@@H]1CCCS1 ZINC000823387711 599630852 /nfs/dbraw/zinc/63/08/52/599630852.db2.gz VJTFYFLUHRIACL-LBPRGKRZSA-N -1 3 363.512 3.421 20 0 FGADHM CC[C@H]1C[C@@H](C)CN1C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000820967658 599656039 /nfs/dbraw/zinc/65/60/39/599656039.db2.gz SCEMVFTZJLSSFP-ZBFHGGJFSA-N -1 3 357.458 3.063 20 0 FGADHM CC[C@H]1C[C@@H](C)CN1C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000820967658 599656040 /nfs/dbraw/zinc/65/60/40/599656040.db2.gz SCEMVFTZJLSSFP-ZBFHGGJFSA-N -1 3 357.458 3.063 20 0 FGADHM C[C@H](NC(=O)NC1C2CC3CC(C2)CC1C3)c1cccc(-c2nnn[n-]2)c1 ZINC000820360334 599665798 /nfs/dbraw/zinc/66/57/98/599665798.db2.gz YEPZDKPVMILLFQ-OJTSIXLCSA-N -1 3 366.469 3.052 20 0 FGADHM C[C@H](NC(=O)NC1C2CC3CC(C2)CC1C3)c1cccc(-c2nn[n-]n2)c1 ZINC000820360334 599665799 /nfs/dbraw/zinc/66/57/99/599665799.db2.gz YEPZDKPVMILLFQ-OJTSIXLCSA-N -1 3 366.469 3.052 20 0 FGADHM CCCCC[C@H](C)CC(=O)O[C@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000821051086 599668263 /nfs/dbraw/zinc/66/82/63/599668263.db2.gz XVFTUYLOILEKGH-UONOGXRCSA-N -1 3 373.457 3.343 20 0 FGADHM CCCCC[C@H](C)CC(=O)O[C@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000821051086 599668264 /nfs/dbraw/zinc/66/82/64/599668264.db2.gz XVFTUYLOILEKGH-UONOGXRCSA-N -1 3 373.457 3.343 20 0 FGADHM CC(C)[C@@H](C(=O)OCc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000820016764 599668917 /nfs/dbraw/zinc/66/89/17/599668917.db2.gz PHDOYMNLCBVOIB-QGZVFWFLSA-N -1 3 354.385 3.489 20 0 FGADHM CC(C)[C@@H](C(=O)OCc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000820016764 599668918 /nfs/dbraw/zinc/66/89/18/599668918.db2.gz PHDOYMNLCBVOIB-QGZVFWFLSA-N -1 3 354.385 3.489 20 0 FGADHM C[C@@H](CCc1cccc(F)c1)C(=O)OCc1cc(-c2nnn[n-]2)ccc1F ZINC000820253990 599669873 /nfs/dbraw/zinc/66/98/73/599669873.db2.gz LMAPDACTZJYEGG-LBPRGKRZSA-N -1 3 372.375 3.457 20 0 FGADHM C[C@@H](CCc1cccc(F)c1)C(=O)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000820253990 599669874 /nfs/dbraw/zinc/66/98/74/599669874.db2.gz LMAPDACTZJYEGG-LBPRGKRZSA-N -1 3 372.375 3.457 20 0 FGADHM C[C@]1(C(=O)OCc2cc(-c3nnn[n-]3)ccc2F)CCc2ccccc2C1 ZINC000820577020 599671328 /nfs/dbraw/zinc/67/13/28/599671328.db2.gz GWXMEIUALUCOCY-FQEVSTJZSA-N -1 3 366.396 3.244 20 0 FGADHM C[C@]1(C(=O)OCc2cc(-c3nn[n-]n3)ccc2F)CCc2ccccc2C1 ZINC000820577020 599671329 /nfs/dbraw/zinc/67/13/29/599671329.db2.gz GWXMEIUALUCOCY-FQEVSTJZSA-N -1 3 366.396 3.244 20 0 FGADHM CCSCC[C@H](C)NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000821455390 599680371 /nfs/dbraw/zinc/68/03/71/599680371.db2.gz JYTMGNMBHRFKER-ZDUSSCGKSA-N -1 3 374.514 3.072 20 0 FGADHM CCSCC[C@H](C)NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000821455390 599680372 /nfs/dbraw/zinc/68/03/72/599680372.db2.gz JYTMGNMBHRFKER-ZDUSSCGKSA-N -1 3 374.514 3.072 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C[C@@H](C)C(=O)c1cccc(F)c1 ZINC000822216586 599699219 /nfs/dbraw/zinc/69/92/19/599699219.db2.gz TWRDPKBAZWDYNJ-GFCCVEGCSA-N -1 3 367.384 3.162 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C[C@@H](C)C(=O)c1cccc(F)c1 ZINC000822216586 599699220 /nfs/dbraw/zinc/69/92/20/599699220.db2.gz TWRDPKBAZWDYNJ-GFCCVEGCSA-N -1 3 367.384 3.162 20 0 FGADHM O=C([O-])c1ccc(C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)cc1 ZINC000647116875 599741653 /nfs/dbraw/zinc/74/16/53/599741653.db2.gz NHCIAABIMQYUON-IBGZPJMESA-N -1 3 352.434 3.342 20 0 FGADHM O=C([O-])c1ccc(C(=O)N[C@H](CN2CCCCC2)c2ccccc2)cc1 ZINC000647116876 599741888 /nfs/dbraw/zinc/74/18/88/599741888.db2.gz NHCIAABIMQYUON-LJQANCHMSA-N -1 3 352.434 3.342 20 0 FGADHM Cc1ccsc1CCCC(=O)OCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000826316509 607391648 /nfs/dbraw/zinc/39/16/48/607391648.db2.gz QOZKQXQFIJHZSY-UHFFFAOYSA-N -1 3 372.450 3.182 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C=Cc1cncc(C)c1 ZINC000821099233 607391875 /nfs/dbraw/zinc/39/18/75/607391875.db2.gz COIDPKLQXCEAEY-RMKNXTFCSA-N -1 3 362.437 3.022 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C=Cc1cncc(C)c1 ZINC000821099233 607391878 /nfs/dbraw/zinc/39/18/78/607391878.db2.gz COIDPKLQXCEAEY-RMKNXTFCSA-N -1 3 362.437 3.022 20 0 FGADHM O=C([O-])[C@@H](NCc1cccc(C(=O)N2CCCCC2)c1)c1ccccc1 ZINC000738525443 599787580 /nfs/dbraw/zinc/78/75/80/599787580.db2.gz LYQSHXSEBMVBPK-IBGZPJMESA-N -1 3 352.434 3.228 20 0 FGADHM CC(C)Oc1ccc(NC(=O)c2cc(F)cc(F)c2)cc1-c1nnn[n-]1 ZINC000820170224 607399203 /nfs/dbraw/zinc/39/92/03/607399203.db2.gz UZBLSMKRYVQKBY-UHFFFAOYSA-N -1 3 359.336 3.184 20 0 FGADHM CC(C)Oc1ccc(NC(=O)c2cc(F)cc(F)c2)cc1-c1nn[n-]n1 ZINC000820170224 607399204 /nfs/dbraw/zinc/39/92/04/607399204.db2.gz UZBLSMKRYVQKBY-UHFFFAOYSA-N -1 3 359.336 3.184 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)[C@H]1CCSc2ccccc21 ZINC000826253082 607402995 /nfs/dbraw/zinc/40/29/95/607402995.db2.gz FCFBVEMOYIYKGW-INIZCTEOSA-N -1 3 366.446 3.498 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)[C@H]1CCSc2ccccc21 ZINC000826253082 607402996 /nfs/dbraw/zinc/40/29/96/607402996.db2.gz FCFBVEMOYIYKGW-INIZCTEOSA-N -1 3 366.446 3.498 20 0 FGADHM CCOc1ccccc1CCC(=O)OCc1ccc(-c2nnn[n-]2)cc1C ZINC000825653336 607404552 /nfs/dbraw/zinc/40/45/52/607404552.db2.gz AVROAKKBFXLQIW-UHFFFAOYSA-N -1 3 366.421 3.250 20 0 FGADHM CCOc1ccccc1CCC(=O)OCc1ccc(-c2nn[n-]n2)cc1C ZINC000825653336 607404553 /nfs/dbraw/zinc/40/45/53/607404553.db2.gz AVROAKKBFXLQIW-UHFFFAOYSA-N -1 3 366.421 3.250 20 0 FGADHM C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2cccc(NC(=O)[O-])c2)C1 ZINC000736723579 599908590 /nfs/dbraw/zinc/90/85/90/599908590.db2.gz HKWMLXUUWQROHW-RDTXWAMCSA-N -1 3 353.422 3.342 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)COc1ccc2ccccc2c1 ZINC000826254017 607411157 /nfs/dbraw/zinc/41/11/57/607411157.db2.gz PUJOUKCYOSNOBD-UHFFFAOYSA-N -1 3 374.400 3.451 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)COc1ccc2ccccc2c1 ZINC000826254017 607411158 /nfs/dbraw/zinc/41/11/58/607411158.db2.gz PUJOUKCYOSNOBD-UHFFFAOYSA-N -1 3 374.400 3.451 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)c1cc(Cl)c(Cl)n1C ZINC000826254103 607413266 /nfs/dbraw/zinc/41/32/66/607413266.db2.gz UNZAUWNSQZIZAE-UHFFFAOYSA-N -1 3 366.208 3.177 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)c1cc(Cl)c(Cl)n1C ZINC000826254103 607413267 /nfs/dbraw/zinc/41/32/67/607413267.db2.gz UNZAUWNSQZIZAE-UHFFFAOYSA-N -1 3 366.208 3.177 20 0 FGADHM C[C@@H](C(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1ccc(Cl)s1 ZINC000824040666 607423635 /nfs/dbraw/zinc/42/36/35/607423635.db2.gz SKCKSALSAYHWQL-SNVBAGLBSA-N -1 3 373.869 3.491 20 0 FGADHM C[C@@H](C(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1ccc(Cl)s1 ZINC000824040666 607423637 /nfs/dbraw/zinc/42/36/37/607423637.db2.gz SKCKSALSAYHWQL-SNVBAGLBSA-N -1 3 373.869 3.491 20 0 FGADHM CN(C(=O)C=Cc1ccc2ccccc2n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825812675 607438450 /nfs/dbraw/zinc/43/84/50/607438450.db2.gz QWRRZCVOBXNEIV-RAXLEYEMSA-N -1 3 356.389 3.091 20 0 FGADHM CN(C(=O)C=Cc1ccc2ccccc2n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825812675 607438451 /nfs/dbraw/zinc/43/84/51/607438451.db2.gz QWRRZCVOBXNEIV-RAXLEYEMSA-N -1 3 356.389 3.091 20 0 FGADHM CN(C(=O)C=Cc1ccc2ccccc2n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825812674 607438704 /nfs/dbraw/zinc/43/87/04/607438704.db2.gz QWRRZCVOBXNEIV-JLHYYAGUSA-N -1 3 356.389 3.091 20 0 FGADHM CN(C(=O)C=Cc1ccc2ccccc2n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825812674 607438706 /nfs/dbraw/zinc/43/87/06/607438706.db2.gz QWRRZCVOBXNEIV-JLHYYAGUSA-N -1 3 356.389 3.091 20 0 FGADHM CN(C(=O)c1ccc(-n2cccc2)c(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825825788 607442137 /nfs/dbraw/zinc/44/21/37/607442137.db2.gz JDJWHTPXKHXCMG-UHFFFAOYSA-N -1 3 362.368 3.073 20 0 FGADHM CN(C(=O)c1ccc(-n2cccc2)c(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825825788 607442139 /nfs/dbraw/zinc/44/21/39/607442139.db2.gz JDJWHTPXKHXCMG-UHFFFAOYSA-N -1 3 362.368 3.073 20 0 FGADHM Cc1cc(C)c(C)c(OCCC(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826263368 607442659 /nfs/dbraw/zinc/44/26/59/607442659.db2.gz XQGZRNFSQSDDNH-UHFFFAOYSA-N -1 3 365.437 3.224 20 0 FGADHM Cc1cc(C)c(C)c(OCCC(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826263368 607442660 /nfs/dbraw/zinc/44/26/60/607442660.db2.gz XQGZRNFSQSDDNH-UHFFFAOYSA-N -1 3 365.437 3.224 20 0 FGADHM CC[C@H](OC1CCCCC1)C(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000825154929 607446656 /nfs/dbraw/zinc/44/66/56/607446656.db2.gz VPCOFBYMSMMEOX-KRWDZBQOSA-N -1 3 369.469 3.100 20 0 FGADHM CC[C@H](OC1CCCCC1)C(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000825154929 607446657 /nfs/dbraw/zinc/44/66/57/607446657.db2.gz VPCOFBYMSMMEOX-KRWDZBQOSA-N -1 3 369.469 3.100 20 0 FGADHM Cc1cccc([C@H](C)N[C@@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)c1C ZINC000738691304 600639915 /nfs/dbraw/zinc/63/99/15/600639915.db2.gz ONPHAZQIQGOIHD-HOTGVXAUSA-N -1 3 354.450 3.357 20 0 FGADHM CC[C@@H]1Oc2cc([C@H](C)N[C@H](C(=O)[O-])c3ccccc3)ccc2NC1=O ZINC000829169500 600694901 /nfs/dbraw/zinc/69/49/01/600694901.db2.gz FCHIWUHJZBGYAC-IWEFOYFVSA-N -1 3 354.406 3.273 20 0 FGADHM C[C@@H]1CN(Cc2ccc(F)cc2C(=O)[O-])CC[C@H]1NC(=O)OC(C)(C)C ZINC000736812524 600715658 /nfs/dbraw/zinc/71/56/58/600715658.db2.gz BCFPWEGGHXKFLI-MLGOLLRUSA-N -1 3 366.433 3.259 20 0 FGADHM CN(C)C(=O)Nc1cccc(CN[C@@H](C(=O)[O-])c2cccc(Cl)c2)c1 ZINC000830563071 600753305 /nfs/dbraw/zinc/75/33/05/600753305.db2.gz DDPRNLLKYDBGMI-MRXNPFEDSA-N -1 3 361.829 3.349 20 0 FGADHM O[C@H](C[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1F)c1ccc(F)cc1 ZINC000823675091 607468939 /nfs/dbraw/zinc/46/89/39/607468939.db2.gz UNZGVRRSCULJLR-MAUKXSAKSA-N -1 3 371.391 3.237 20 0 FGADHM O=C([O-])[C@@H]1CCC[C@H](C(=O)NC[C@H]2CCCCN2Cc2ccccc2)C1 ZINC000379638943 600836932 /nfs/dbraw/zinc/83/69/32/600836932.db2.gz VBIDWRAYVUEIKN-IPMKNSEASA-N -1 3 358.482 3.048 20 0 FGADHM O=C([O-])CCN(Cc1ncc(-c2cccc(Cl)c2)o1)C1CCOCC1 ZINC000580073767 600857674 /nfs/dbraw/zinc/85/76/74/600857674.db2.gz UTBYIVGLCAVOOQ-UHFFFAOYSA-N -1 3 364.829 3.451 20 0 FGADHM CN(C)Cc1cccc(C(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)c1 ZINC000830619335 600946186 /nfs/dbraw/zinc/94/61/86/600946186.db2.gz CGWUQWPFOQZRJD-UHFFFAOYSA-N -1 3 364.348 3.300 20 0 FGADHM CC[C@@H](Cc1ccccc1)N(C)CC(=O)NCc1ccc(NC(=O)[O-])cc1 ZINC000736907409 600974429 /nfs/dbraw/zinc/97/44/29/600974429.db2.gz RNSPHDUQPKMDMC-IBGZPJMESA-N -1 3 369.465 3.346 20 0 FGADHM C[C@@H](C(=O)[O-])[C@H](NCC(=O)NCc1ccc(Cl)cc1)c1ccccc1 ZINC000826055135 601201775 /nfs/dbraw/zinc/20/17/75/601201775.db2.gz WDOYLBBIGUNOBU-ACJLOTCBSA-N -1 3 360.841 3.008 20 0 FGADHM CCc1nc(NC(=O)CN[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])sc1C ZINC000830318315 601201881 /nfs/dbraw/zinc/20/18/81/601201881.db2.gz NLDKVHFWOHGPHH-BDJLRTHQSA-N -1 3 361.467 3.004 20 0 FGADHM CC(C)N(Cc1ccccc1)C(=O)CN[C@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000826044274 601202332 /nfs/dbraw/zinc/20/23/32/601202332.db2.gz CZXMWWJBIIYVPY-UTKZUKDTSA-N -1 3 368.477 3.475 20 0 FGADHM C[C@H](OC(=O)c1cc(-c2nnn[n-]2)cs1)c1c(F)cc(F)cc1F ZINC000820508498 607497755 /nfs/dbraw/zinc/49/77/55/607497755.db2.gz QHIKMZYBLRCRGO-LURJTMIESA-N -1 3 354.313 3.264 20 0 FGADHM C[C@H](OC(=O)c1cc(-c2nn[n-]n2)cs1)c1c(F)cc(F)cc1F ZINC000820508498 607497757 /nfs/dbraw/zinc/49/77/57/607497757.db2.gz QHIKMZYBLRCRGO-LURJTMIESA-N -1 3 354.313 3.264 20 0 FGADHM C[C@@H](OC(=O)c1sccc1-c1nnn[n-]1)c1c(F)cc(F)cc1F ZINC000820518355 607501498 /nfs/dbraw/zinc/50/14/98/607501498.db2.gz BXSDPQJCFZOWDB-ZCFIWIBFSA-N -1 3 354.313 3.264 20 0 FGADHM O=C([O-])c1nn(CN2CC[C@H](COCc3ccccc3)C2)c2ccccc21 ZINC000833347285 601402221 /nfs/dbraw/zinc/40/22/21/601402221.db2.gz XBOWPANFNHTHDP-KRWDZBQOSA-N -1 3 365.433 3.231 20 0 FGADHM CCCCn1ncc(NC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1C ZINC000825300956 607509258 /nfs/dbraw/zinc/50/92/58/607509258.db2.gz GEUGRWMRDMABDU-GFCCVEGCSA-N -1 3 368.445 3.054 20 0 FGADHM CCCCn1ncc(NC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1C ZINC000825300956 607509259 /nfs/dbraw/zinc/50/92/59/607509259.db2.gz GEUGRWMRDMABDU-GFCCVEGCSA-N -1 3 368.445 3.054 20 0 FGADHM C[C@@H](C(=O)[O-])[C@@H](NC(=O)Nc1cccc(CN(C)C)c1)c1ccccc1 ZINC000826038268 601603374 /nfs/dbraw/zinc/60/33/74/601603374.db2.gz DZBXHOXKBFKJJT-RDTXWAMCSA-N -1 3 355.438 3.332 20 0 FGADHM O=C([O-])c1ccc(CN2CCC(C(=O)Nc3ccccc3)CC2)cc1F ZINC000833314586 601615938 /nfs/dbraw/zinc/61/59/38/601615938.db2.gz LZLFMEBRIMOQAN-UHFFFAOYSA-N -1 3 356.397 3.375 20 0 FGADHM C[C@H](C(=O)[O-])[C@@H](NCC(=O)N1c2ccccc2CC[C@@H]1C)c1ccccc1 ZINC000826044816 601652836 /nfs/dbraw/zinc/65/28/36/601652836.db2.gz LYUFIQRGKRISGF-CKJXQJPGSA-N -1 3 366.461 3.406 20 0 FGADHM CCN(Cc1cccc(F)c1)C(=O)CN[C@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000829722569 601657898 /nfs/dbraw/zinc/65/78/98/601657898.db2.gz NOOJHRRUBYQOMH-YWZLYKJASA-N -1 3 372.440 3.226 20 0 FGADHM Cc1ccc(NC(=O)[C@@H]2CCCN(Cc3ccsc3C(=O)[O-])C2)nc1 ZINC000832941359 601829667 /nfs/dbraw/zinc/82/96/67/601829667.db2.gz KICKIDLROOHHDQ-CQSZACIVSA-N -1 3 359.451 3.000 20 0 FGADHM CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)N1CCC(CCC(=O)[O-])CC1 ZINC000825977852 601841771 /nfs/dbraw/zinc/84/17/71/601841771.db2.gz PUCMBYBTUDNPNZ-QGZVFWFLSA-N -1 3 360.498 3.389 20 0 FGADHM O=C([O-])c1cccc(CNC(=O)NC[C@@H](c2ccccc2)N2CCCC2)c1 ZINC000666510054 601848319 /nfs/dbraw/zinc/84/83/19/601848319.db2.gz LGXDPRNIMBWRSY-IBGZPJMESA-N -1 3 367.449 3.021 20 0 FGADHM CCc1ncsc1C(=O)N(CC(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825754764 607531749 /nfs/dbraw/zinc/53/17/49/607531749.db2.gz HEOJUYKZNSJUHM-UHFFFAOYSA-N -1 3 356.455 3.188 20 0 FGADHM CCc1ncsc1C(=O)N(CC(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825754764 607531750 /nfs/dbraw/zinc/53/17/50/607531750.db2.gz HEOJUYKZNSJUHM-UHFFFAOYSA-N -1 3 356.455 3.188 20 0 FGADHM Cc1cccc(S(=O)(=O)N(C)c2cccc(C(C)C)c2)c1-c1nnn[n-]1 ZINC000826300849 607533795 /nfs/dbraw/zinc/53/37/95/607533795.db2.gz IPALCFBDJRZVDW-UHFFFAOYSA-N -1 3 371.466 3.124 20 0 FGADHM Cc1cccc(S(=O)(=O)N(C)c2cccc(C(C)C)c2)c1-c1nn[n-]n1 ZINC000826300849 607533797 /nfs/dbraw/zinc/53/37/97/607533797.db2.gz IPALCFBDJRZVDW-UHFFFAOYSA-N -1 3 371.466 3.124 20 0 FGADHM CCc1c(C)sc(NC(=O)[C@H]2OCCc3ccccc32)c1-c1nnn[n-]1 ZINC000825688443 607537317 /nfs/dbraw/zinc/53/73/17/607537317.db2.gz ZWEACMUDQLFHMP-HNNXBMFYSA-N -1 3 369.450 3.052 20 0 FGADHM CCc1c(C)sc(NC(=O)[C@H]2OCCc3ccccc32)c1-c1nn[n-]n1 ZINC000825688443 607537318 /nfs/dbraw/zinc/53/73/18/607537318.db2.gz ZWEACMUDQLFHMP-HNNXBMFYSA-N -1 3 369.450 3.052 20 0 FGADHM COc1ccc(CNc2cccc(-c3nccc(C)n3)c2)cc1-c1nnn[n-]1 ZINC000826204103 607551408 /nfs/dbraw/zinc/55/14/08/607551408.db2.gz XQCQBNZZIIAAMV-UHFFFAOYSA-N -1 3 373.420 3.253 20 0 FGADHM COc1ccc(CNc2cccc(-c3nccc(C)n3)c2)cc1-c1nn[n-]n1 ZINC000826204103 607551410 /nfs/dbraw/zinc/55/14/10/607551410.db2.gz XQCQBNZZIIAAMV-UHFFFAOYSA-N -1 3 373.420 3.253 20 0 FGADHM Fc1cnc(NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)nc1 ZINC000826378411 607556638 /nfs/dbraw/zinc/55/66/38/607556638.db2.gz IVLDMJSBKBVRJI-UHFFFAOYSA-N -1 3 353.386 3.136 20 0 FGADHM FC(F)(F)c1ccc(NC[C@H]2CCCn3ccnc32)c(-c2nnn[n-]2)c1 ZINC000826369000 607558812 /nfs/dbraw/zinc/55/88/12/607558812.db2.gz IZHGSUPCQMGERA-SNVBAGLBSA-N -1 3 363.347 3.072 20 0 FGADHM FC(F)(F)c1ccc(NC[C@H]2CCCn3ccnc32)c(-c2nn[n-]n2)c1 ZINC000826369000 607558814 /nfs/dbraw/zinc/55/88/14/607558814.db2.gz IZHGSUPCQMGERA-SNVBAGLBSA-N -1 3 363.347 3.072 20 0 FGADHM CN(C(=O)Nc1cc(C(=O)[O-])ccc1F)[C@H]1CCN(Cc2ccccc2)C1 ZINC000380799495 602362560 /nfs/dbraw/zinc/36/25/60/602362560.db2.gz YEORBIOKWQHXRY-INIZCTEOSA-N -1 3 371.412 3.262 20 0 FGADHM C[C@H]1C[C@@H](NC(=O)Nc2ccc(C(=O)[O-])c(F)c2)CN1Cc1ccccc1 ZINC000398182786 602385252 /nfs/dbraw/zinc/38/52/52/602385252.db2.gz KOYDPQQLXZNEMF-XJKSGUPXSA-N -1 3 371.412 3.308 20 0 FGADHM CN(C)CCN(Cc1ccccc1)C(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000739611806 602507729 /nfs/dbraw/zinc/50/77/29/602507729.db2.gz CQRAHGGUGYSPNO-UHFFFAOYSA-N -1 3 359.401 3.120 20 0 FGADHM Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1CNCCCNC(=O)[O-] ZINC000740254803 602648023 /nfs/dbraw/zinc/64/80/23/602648023.db2.gz YOEDOQIWGZNYAT-UHFFFAOYSA-N -1 3 371.268 3.294 20 0 FGADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2cc(F)c(F)cc2F)s1 ZINC000825694620 607578741 /nfs/dbraw/zinc/57/87/41/607578741.db2.gz WYNHANFRZRIHSN-UHFFFAOYSA-N -1 3 353.329 3.160 20 0 FGADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2cc(F)c(F)cc2F)s1 ZINC000825694620 607578743 /nfs/dbraw/zinc/57/87/43/607578743.db2.gz WYNHANFRZRIHSN-UHFFFAOYSA-N -1 3 353.329 3.160 20 0 FGADHM COc1ccc(CNC(=O)CCCC2CCCCC2)cc1-c1nnn[n-]1 ZINC000826196821 607582545 /nfs/dbraw/zinc/58/25/45/607582545.db2.gz PPSAPAIHORVECE-UHFFFAOYSA-N -1 3 357.458 3.242 20 0 FGADHM COc1ccc(CNC(=O)CCCC2CCCCC2)cc1-c1nn[n-]n1 ZINC000826196821 607582546 /nfs/dbraw/zinc/58/25/46/607582546.db2.gz PPSAPAIHORVECE-UHFFFAOYSA-N -1 3 357.458 3.242 20 0 FGADHM CN(C)C[C@H](NC(=O)Nc1cc(NC(=O)[O-])ccc1F)c1ccccc1 ZINC000739607552 603042777 /nfs/dbraw/zinc/04/27/77/603042777.db2.gz MQHVHJVVCRXLRB-INIZCTEOSA-N -1 3 360.389 3.340 20 0 FGADHM COc1ccc(COC(=O)C[C@H](C)c2ccccc2F)cc1-c1nnn[n-]1 ZINC000826204959 607605373 /nfs/dbraw/zinc/60/53/73/607605373.db2.gz DZVPINRFADYXFE-LBPRGKRZSA-N -1 3 370.384 3.251 20 0 FGADHM COc1ccc(COC(=O)C[C@H](C)c2ccccc2F)cc1-c1nn[n-]n1 ZINC000826204959 607605375 /nfs/dbraw/zinc/60/53/75/607605375.db2.gz DZVPINRFADYXFE-LBPRGKRZSA-N -1 3 370.384 3.251 20 0 FGADHM C[C@H](NC(=O)c1oc2ccccc2c1CN(C)C)[C@H]1CCCN(C(=O)[O-])C1 ZINC000739029640 603097917 /nfs/dbraw/zinc/09/79/17/603097917.db2.gz FOXQAKZZQWNSIP-KBPBESRZSA-N -1 3 373.453 3.003 20 0 FGADHM CCN(CC)[C@H](CNC(=O)[C@H]1CCC[C@H](NC(=O)[O-])C1)c1ccsc1 ZINC000739406826 603239986 /nfs/dbraw/zinc/23/99/86/603239986.db2.gz HCGJAOWGQFPTSI-CWRNSKLLSA-N -1 3 367.515 3.074 20 0 FGADHM C[C@@H](C(=O)Nc1cccc(CN(C)C)c1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823712910 603316720 /nfs/dbraw/zinc/31/67/20/603316720.db2.gz LOCJZIOQPKKCOD-KDOFPFPSSA-N -1 3 355.438 3.332 20 0 FGADHM CN(CCNC(=O)Nc1ccccc1CN(C)C(=O)[O-])Cc1ccccc1 ZINC000739696806 603337752 /nfs/dbraw/zinc/33/77/52/603337752.db2.gz ATLRGRAAJYWFBO-UHFFFAOYSA-N -1 3 370.453 3.050 20 0 FGADHM O=C([O-])N[C@@H](Cc1ccccc1)[C@@H](O)CN1CCC[C@H]1c1ccc(F)cc1 ZINC000832757698 603400010 /nfs/dbraw/zinc/40/00/10/603400010.db2.gz KYVXXFWLNGOUOI-UFYCRDLUSA-N -1 3 372.440 3.202 20 0 FGADHM CN(C)CCN(Cc1ccco1)C(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000828030360 603443446 /nfs/dbraw/zinc/44/34/46/603443446.db2.gz HOIMOSDCKFDVMN-UHFFFAOYSA-N -1 3 365.817 3.227 20 0 FGADHM COc1ccc(Br)c(C=Cc2ccc(-c3nnn[n-]3)cn2)c1 ZINC000826187032 607645830 /nfs/dbraw/zinc/64/58/30/607645830.db2.gz WJVMKNDRGCIISR-RQOWECAXSA-N -1 3 358.199 3.203 20 0 FGADHM COc1ccc(Br)c(C=Cc2ccc(-c3nn[n-]n3)cn2)c1 ZINC000826187032 607645832 /nfs/dbraw/zinc/64/58/32/607645832.db2.gz WJVMKNDRGCIISR-RQOWECAXSA-N -1 3 358.199 3.203 20 0 FGADHM Cc1cc(NC(=O)c2ccc(-c3nnn[n-]3)cc2C)ccc1Br ZINC000826270677 607646114 /nfs/dbraw/zinc/64/61/14/607646114.db2.gz KKHPMLJFBBTYEU-UHFFFAOYSA-N -1 3 372.226 3.498 20 0 FGADHM Cc1cc(NC(=O)c2ccc(-c3nn[n-]n3)cc2C)ccc1Br ZINC000826270677 607646117 /nfs/dbraw/zinc/64/61/17/607646117.db2.gz KKHPMLJFBBTYEU-UHFFFAOYSA-N -1 3 372.226 3.498 20 0 FGADHM Cc1cccc(C)c1NC(=S)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826296626 607648530 /nfs/dbraw/zinc/64/85/30/607648530.db2.gz DFNXLBJFKPJELN-UHFFFAOYSA-N -1 3 364.478 3.459 20 0 FGADHM Cc1cccc(C)c1NC(=S)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826296626 607648531 /nfs/dbraw/zinc/64/85/31/607648531.db2.gz DFNXLBJFKPJELN-UHFFFAOYSA-N -1 3 364.478 3.459 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Oc1ccccc1Br ZINC000826252482 607651831 /nfs/dbraw/zinc/65/18/31/607651831.db2.gz DTYJWGGEHSJFOX-UHFFFAOYSA-N -1 3 359.183 3.157 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Oc1ccccc1Br ZINC000826252482 607651833 /nfs/dbraw/zinc/65/18/33/607651833.db2.gz DTYJWGGEHSJFOX-UHFFFAOYSA-N -1 3 359.183 3.157 20 0 FGADHM CCN(CC)c1ccc(NC(=O)c2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000825416399 607654284 /nfs/dbraw/zinc/65/42/84/607654284.db2.gz IEXMJRJEYOVPNR-UHFFFAOYSA-N -1 3 350.426 3.274 20 0 FGADHM CCN(CC)c1ccc(NC(=O)c2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000825416399 607654285 /nfs/dbraw/zinc/65/42/85/607654285.db2.gz IEXMJRJEYOVPNR-UHFFFAOYSA-N -1 3 350.426 3.274 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1-c1nc(-c2ccc(Br)o2)no1 ZINC000826243769 607660259 /nfs/dbraw/zinc/66/02/59/607660259.db2.gz UXTFQAMLKVTLAG-UHFFFAOYSA-N -1 3 373.170 3.248 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1-c1nc(-c2ccc(Br)o2)no1 ZINC000826243769 607660260 /nfs/dbraw/zinc/66/02/60/607660260.db2.gz UXTFQAMLKVTLAG-UHFFFAOYSA-N -1 3 373.170 3.248 20 0 FGADHM Cc1cccc(CN(CCN(C)C)C(=O)c2ccc(C(=O)[O-])c(F)c2)c1 ZINC000832967662 604306533 /nfs/dbraw/zinc/30/65/33/604306533.db2.gz MZTCLEBEOSEBTQ-UHFFFAOYSA-N -1 3 358.413 3.036 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)C[C@@H](C)c1ccc(F)cc1F ZINC000826174155 607687015 /nfs/dbraw/zinc/68/70/15/607687015.db2.gz KUGQQPRXBONNMY-SNVBAGLBSA-N -1 3 374.347 3.253 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)C[C@@H](C)c1ccc(F)cc1F ZINC000826174155 607687017 /nfs/dbraw/zinc/68/70/17/607687017.db2.gz KUGQQPRXBONNMY-SNVBAGLBSA-N -1 3 374.347 3.253 20 0 FGADHM Cc1ccc(NC(=O)C[C@H](C)[C@H]2CCCN(C(=O)[O-])C2)c(CN(C)C)c1 ZINC000830364811 604355204 /nfs/dbraw/zinc/35/52/04/604355204.db2.gz UZOLYDGFVMFCJY-HOTGVXAUSA-N -1 3 361.486 3.411 20 0 FGADHM CCC[C@H](C)NC(=O)[C@@H]1CCCN([C@H](C)c2cc(C)c(C(=O)[O-])o2)C1 ZINC000829216539 604383464 /nfs/dbraw/zinc/38/34/64/604383464.db2.gz NTHSJQIRUJTCQW-RRFJBIMHSA-N -1 3 350.459 3.364 20 0 FGADHM O=S(=O)(Cc1ccccc1-c1nnn[n-]1)[C@H]1CCc2c1cccc2Cl ZINC000826486955 607691338 /nfs/dbraw/zinc/69/13/38/607691338.db2.gz XZGZEUYZYPPAMK-INIZCTEOSA-N -1 3 374.853 3.122 20 0 FGADHM O=S(=O)(Cc1ccccc1-c1nn[n-]n1)[C@H]1CCc2c1cccc2Cl ZINC000826486955 607691340 /nfs/dbraw/zinc/69/13/40/607691340.db2.gz XZGZEUYZYPPAMK-INIZCTEOSA-N -1 3 374.853 3.122 20 0 FGADHM COc1ccc(-c2nc(CNC(C)(C)CC(=O)[O-])cs2)c(OC)c1 ZINC000832129913 604441415 /nfs/dbraw/zinc/44/14/15/604441415.db2.gz SFIFLASHCUNMLA-UHFFFAOYSA-N -1 3 350.440 3.170 20 0 FGADHM O=S(=O)(Cc1ccc(-c2nnn[n-]2)cc1)[C@@H]1CCc2c1cccc2Cl ZINC000826485940 607692765 /nfs/dbraw/zinc/69/27/65/607692765.db2.gz JFTZNABOOFKBNM-MRXNPFEDSA-N -1 3 374.853 3.122 20 0 FGADHM O=S(=O)(Cc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCc2c1cccc2Cl ZINC000826485940 607692766 /nfs/dbraw/zinc/69/27/66/607692766.db2.gz JFTZNABOOFKBNM-MRXNPFEDSA-N -1 3 374.853 3.122 20 0 FGADHM C[C@@H](NC(=O)[O-])c1ccc(CNC(=O)c2cccc(CN(C)C)c2)cc1 ZINC000825396573 604452640 /nfs/dbraw/zinc/45/26/40/604452640.db2.gz BCXCRTFGXRUAND-CQSZACIVSA-N -1 3 355.438 3.007 20 0 FGADHM O=C([O-])[C@H]1Cc2ccccc2CN1Cc1ccc(Oc2cnccn2)cc1 ZINC000833193985 604467452 /nfs/dbraw/zinc/46/74/52/604467452.db2.gz WCYMZTXIBOQXLU-LJQANCHMSA-N -1 3 361.401 3.280 20 0 FGADHM CC(C)COc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)cc1Cl ZINC000824270860 607694291 /nfs/dbraw/zinc/69/42/91/607694291.db2.gz IHXJSXGTKHHFAE-UHFFFAOYSA-N -1 3 360.805 3.135 20 0 FGADHM CC(C)COc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)cc1Cl ZINC000824270860 607694293 /nfs/dbraw/zinc/69/42/93/607694293.db2.gz IHXJSXGTKHHFAE-UHFFFAOYSA-N -1 3 360.805 3.135 20 0 FGADHM O=C([O-])CCCCCCCNC(=O)N1CCN(C2CCCCC2)CC1 ZINC000833224720 604510930 /nfs/dbraw/zinc/51/09/30/604510930.db2.gz UCBPKAUVCFSMFJ-UHFFFAOYSA-N -1 3 353.507 3.072 20 0 FGADHM O=C([O-])c1csc(NC(=O)N2CCN(CC3CCCCC3)CC2)c1 ZINC000833342691 604517216 /nfs/dbraw/zinc/51/72/16/604517216.db2.gz OOFIRIWZGVKTKC-UHFFFAOYSA-N -1 3 351.472 3.176 20 0 FGADHM Cc1cccc(CN(CCN(C)C)C(=O)Nc2cc(C(=O)[O-])cs2)c1 ZINC000832968027 604518963 /nfs/dbraw/zinc/51/89/63/604518963.db2.gz QOMZKMAIZUZDTJ-UHFFFAOYSA-N -1 3 361.467 3.350 20 0 FGADHM CC(C)c1cnc(CN(C)[C@@H]2CCN(Cc3ccccc3C(=O)[O-])C2)o1 ZINC000833511504 604679788 /nfs/dbraw/zinc/67/97/88/604679788.db2.gz VVYLCZGVLISTRH-MRXNPFEDSA-N -1 3 357.454 3.203 20 0 FGADHM COc1ccccc1[C@H](CN[C@H](C)c1cccc(NC(C)=O)c1)NC(=O)[O-] ZINC000829597099 604760422 /nfs/dbraw/zinc/76/04/22/604760422.db2.gz FIGFLKJMTVMSJI-ACJLOTCBSA-N -1 3 371.437 3.313 20 0 FGADHM CCSc1ccc(CC(=O)Nc2cc(-c3nnn[n-]3)ccc2C)cc1 ZINC000825674878 607713162 /nfs/dbraw/zinc/71/31/62/607713162.db2.gz TYWQWLWAYBVXSZ-UHFFFAOYSA-N -1 3 353.451 3.468 20 0 FGADHM CCSc1ccc(CC(=O)Nc2cc(-c3nn[n-]n3)ccc2C)cc1 ZINC000825674878 607713163 /nfs/dbraw/zinc/71/31/63/607713163.db2.gz TYWQWLWAYBVXSZ-UHFFFAOYSA-N -1 3 353.451 3.468 20 0 FGADHM CCN(CC)[C@H](CNC(=O)c1ccc(C(=O)[O-])c(F)c1)c1ccsc1 ZINC000829666849 604810173 /nfs/dbraw/zinc/81/01/73/604810173.db2.gz UJCFYLCJBUBVKY-MRXNPFEDSA-N -1 3 364.442 3.398 20 0 FGADHM O=C([O-])c1ccc(C(=O)N[C@H](CN2CCCC2)c2ccccc2)cc1F ZINC000833127215 604926924 /nfs/dbraw/zinc/92/69/24/604926924.db2.gz WCZZCBKNSQEYTO-GOSISDBHSA-N -1 3 356.397 3.091 20 0 FGADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(C[C@H](O)c2cccc(Br)c2)C1 ZINC000833421186 604950945 /nfs/dbraw/zinc/95/09/45/604950945.db2.gz JPCITCSCQKGATR-HIFRSBDPSA-N -1 3 370.287 3.305 20 0 FGADHM C[C@H](C(=O)Nc1cccc(Cl)c1)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000833410271 604953014 /nfs/dbraw/zinc/95/30/14/604953014.db2.gz WNLDVCACIHHNSM-OLZOCXBDSA-N -1 3 352.862 3.490 20 0 FGADHM COc1ccc([C@@H]2CCCCCN2C(=O)CN2CCC[C@@H]2CC(=O)[O-])cc1 ZINC000833732844 604967955 /nfs/dbraw/zinc/96/79/55/604967955.db2.gz TXVMAXSVDDLCLT-MJGOQNOKSA-N -1 3 374.481 3.078 20 0 FGADHM CC[C@H](C)OCC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825074082 607733543 /nfs/dbraw/zinc/73/35/43/607733543.db2.gz FIWJZJDXKGZHTN-ZDUSSCGKSA-N -1 3 367.409 3.413 20 0 FGADHM CC[C@H](C)OCC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825074082 607733544 /nfs/dbraw/zinc/73/35/44/607733544.db2.gz FIWJZJDXKGZHTN-ZDUSSCGKSA-N -1 3 367.409 3.413 20 0 FGADHM C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)C1CCC(C(=O)[O-])CC1 ZINC000833616491 605090482 /nfs/dbraw/zinc/09/04/82/605090482.db2.gz WLTZTDMZSSAYNY-IVMQYODDSA-N -1 3 358.482 3.000 20 0 FGADHM CC(C)(C(=O)[O-])[C@H](NCC(=O)Nc1ccc(F)cc1F)c1ccccc1 ZINC000833412832 605177542 /nfs/dbraw/zinc/17/75/42/605177542.db2.gz LQVQMOADBJIBBH-QGZVFWFLSA-N -1 3 362.376 3.345 20 0 FGADHM CCOc1ccccc1[C@@H](CC(C)C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000825654128 607745781 /nfs/dbraw/zinc/74/57/81/607745781.db2.gz OZMCDFLBZSYHJZ-MRXNPFEDSA-N -1 3 368.441 3.111 20 0 FGADHM CCOc1ccccc1[C@@H](CC(C)C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000825654128 607745782 /nfs/dbraw/zinc/74/57/82/607745782.db2.gz OZMCDFLBZSYHJZ-MRXNPFEDSA-N -1 3 368.441 3.111 20 0 FGADHM CCCN(CC(=O)Nc1c(C)cccc1Cl)C1CCN(C(=O)[O-])CC1 ZINC000833853009 605324555 /nfs/dbraw/zinc/32/45/55/605324555.db2.gz HKAGFOJQUXRVJS-UHFFFAOYSA-N -1 3 367.877 3.441 20 0 FGADHM Fc1ccc(CN2CC[C@H](Oc3ccccc3Cl)C2)cc1-c1nnn[n-]1 ZINC000826374599 607753062 /nfs/dbraw/zinc/75/30/62/607753062.db2.gz FIJMFAXCKDUTFT-ZDUSSCGKSA-N -1 3 373.819 3.313 20 0 FGADHM CCOC(=O)Nc1ccc(NC(=O)C(C)(C)CC(C)C)cc1-c1nnn[n-]1 ZINC000825522094 607759631 /nfs/dbraw/zinc/75/96/31/607759631.db2.gz BEEVUVKPINFDHE-UHFFFAOYSA-N -1 3 374.445 3.446 20 0 FGADHM CCOC(=O)Nc1ccc(NC(=O)C(C)(C)CC(C)C)cc1-c1nn[n-]n1 ZINC000825522094 607759632 /nfs/dbraw/zinc/75/96/32/607759632.db2.gz BEEVUVKPINFDHE-UHFFFAOYSA-N -1 3 374.445 3.446 20 0 FGADHM O=C([O-])NC[C@@H]1CCCN(Cc2ccccc2OCc2ccncc2)C1 ZINC000834216652 605554584 /nfs/dbraw/zinc/55/45/84/605554584.db2.gz UIYLWRRLNBOTGV-KRWDZBQOSA-N -1 3 355.438 3.140 20 0 FGADHM C[C@H](NC(=O)[O-])[C@H]1CCCN(C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)C1 ZINC000833815877 605651316 /nfs/dbraw/zinc/65/13/16/605651316.db2.gz XNIFUFDJIWCWHH-NOLJZWGESA-N -1 3 365.861 3.201 20 0 FGADHM C[C@@H]1CC[C@@H](NC(=O)COc2ccccc2-c2nnn[n-]2)c2ccccc21 ZINC000824919151 607771898 /nfs/dbraw/zinc/77/18/98/607771898.db2.gz SASVPRCIFPGPRK-CXAGYDPISA-N -1 3 363.421 3.000 20 0 FGADHM C[C@@H]1CC[C@@H](NC(=O)COc2ccccc2-c2nn[n-]n2)c2ccccc21 ZINC000824919151 607771899 /nfs/dbraw/zinc/77/18/99/607771899.db2.gz SASVPRCIFPGPRK-CXAGYDPISA-N -1 3 363.421 3.000 20 0 FGADHM Oc1ccc(C2=CCN(c3nc4ccccc4cc3-c3nnn[n-]3)CC2)cc1 ZINC000823727255 606031258 /nfs/dbraw/zinc/03/12/58/606031258.db2.gz XDFSRBRMWKLUQQ-UHFFFAOYSA-N -1 3 370.416 3.414 20 0 FGADHM Oc1ccc(C2=CCN(c3nc4ccccc4cc3-c3nn[n-]n3)CC2)cc1 ZINC000823727255 606031259 /nfs/dbraw/zinc/03/12/59/606031259.db2.gz XDFSRBRMWKLUQQ-UHFFFAOYSA-N -1 3 370.416 3.414 20 0 FGADHM c1ccc(N2CCCN(c3nc4ccccc4cc3-c3nnn[n-]3)CC2)cc1 ZINC000823788272 606054287 /nfs/dbraw/zinc/05/42/87/606054287.db2.gz WVEGPXQPLRTSHE-UHFFFAOYSA-N -1 3 371.448 3.132 20 0 FGADHM c1ccc(N2CCCN(c3nc4ccccc4cc3-c3nn[n-]n3)CC2)cc1 ZINC000823788272 606054291 /nfs/dbraw/zinc/05/42/91/606054291.db2.gz WVEGPXQPLRTSHE-UHFFFAOYSA-N -1 3 371.448 3.132 20 0 FGADHM c1ccc(N2CCC(Nc3nc4ccccc4cc3-c3nnn[n-]3)CC2)cc1 ZINC000823788305 606057547 /nfs/dbraw/zinc/05/75/47/606057547.db2.gz YEXBKJQVGBSXGD-UHFFFAOYSA-N -1 3 371.448 3.496 20 0 FGADHM c1ccc(N2CCC(Nc3nc4ccccc4cc3-c3nn[n-]n3)CC2)cc1 ZINC000823788305 606057554 /nfs/dbraw/zinc/05/75/54/606057554.db2.gz YEXBKJQVGBSXGD-UHFFFAOYSA-N -1 3 371.448 3.496 20 0 FGADHM O[C@@]1(CNc2nc3ccccc3cc2-c2nnn[n-]2)CCCc2ccccc21 ZINC000823700089 606080800 /nfs/dbraw/zinc/08/08/00/606080800.db2.gz ZTLTYHVKXBGKGU-OAQYLSRUSA-N -1 3 372.432 3.051 20 0 FGADHM O[C@@]1(CNc2nc3ccccc3cc2-c2nn[n-]n2)CCCc2ccccc21 ZINC000823700089 606080804 /nfs/dbraw/zinc/08/08/04/606080804.db2.gz ZTLTYHVKXBGKGU-OAQYLSRUSA-N -1 3 372.432 3.051 20 0 FGADHM Cc1sc(NC(=O)CN(C)c2ccc(C)cc2C)c(-c2nnn[n-]2)c1C ZINC000822241214 606108336 /nfs/dbraw/zinc/10/83/36/606108336.db2.gz OQPIKMLLPFMKDU-UHFFFAOYSA-N -1 3 370.482 3.237 20 0 FGADHM Cc1sc(NC(=O)CN(C)c2ccc(C)cc2C)c(-c2nn[n-]n2)c1C ZINC000822241214 606108337 /nfs/dbraw/zinc/10/83/37/606108337.db2.gz OQPIKMLLPFMKDU-UHFFFAOYSA-N -1 3 370.482 3.237 20 0 FGADHM CSCc1cc(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)ccc1F ZINC000821971209 606110754 /nfs/dbraw/zinc/11/07/54/606110754.db2.gz YTLQDFWLQPZJMU-LLVKDONJSA-N -1 3 371.441 3.360 20 0 FGADHM CSCc1cc(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)ccc1F ZINC000821971209 606110755 /nfs/dbraw/zinc/11/07/55/606110755.db2.gz YTLQDFWLQPZJMU-LLVKDONJSA-N -1 3 371.441 3.360 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N(C1CC1)C1CCCC1 ZINC000821407512 606115630 /nfs/dbraw/zinc/11/56/30/606115630.db2.gz RPYUQEUUONUWPR-UHFFFAOYSA-N -1 3 356.430 3.204 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N(C1CC1)C1CCCC1 ZINC000821407512 606115632 /nfs/dbraw/zinc/11/56/32/606115632.db2.gz RPYUQEUUONUWPR-UHFFFAOYSA-N -1 3 356.430 3.204 20 0 FGADHM OCC[C@@H](Nc1cc(-c2nnn[n-]2)c2ccccc2n1)C1CCCCC1 ZINC000823713020 606125345 /nfs/dbraw/zinc/12/53/45/606125345.db2.gz BLDWHBZHHWJWTL-MRXNPFEDSA-N -1 3 352.442 3.158 20 0 FGADHM OCC[C@@H](Nc1cc(-c2nn[n-]n2)c2ccccc2n1)C1CCCCC1 ZINC000823713020 606125346 /nfs/dbraw/zinc/12/53/46/606125346.db2.gz BLDWHBZHHWJWTL-MRXNPFEDSA-N -1 3 352.442 3.158 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)[C@@H]1CC12CCCC2 ZINC000821390230 606147470 /nfs/dbraw/zinc/14/74/70/606147470.db2.gz URZRUWBYEUZOBQ-NSHDSACASA-N -1 3 362.817 3.405 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)[C@@H]1CC12CCCC2 ZINC000821390230 606147472 /nfs/dbraw/zinc/14/74/72/606147472.db2.gz URZRUWBYEUZOBQ-NSHDSACASA-N -1 3 362.817 3.405 20 0 FGADHM COc1ccc([C@@H](C)CC(=O)OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000821777848 606150665 /nfs/dbraw/zinc/15/06/65/606150665.db2.gz MXOVXHDXAIOFRO-ZDUSSCGKSA-N -1 3 352.394 3.112 20 0 FGADHM COc1ccc([C@@H](C)CC(=O)OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000821777848 606150667 /nfs/dbraw/zinc/15/06/67/606150667.db2.gz MXOVXHDXAIOFRO-ZDUSSCGKSA-N -1 3 352.394 3.112 20 0 FGADHM CC1(C)CCN1C(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000820601463 606151808 /nfs/dbraw/zinc/15/18/08/606151808.db2.gz LZZPYLIRXIRODZ-UHFFFAOYSA-N -1 3 363.421 3.070 20 0 FGADHM CO[C@H](C)c1nc(COc2ccc(-c3nnn[n-]3)cc2Cl)cs1 ZINC000821675519 606171052 /nfs/dbraw/zinc/17/10/52/606171052.db2.gz NGRQCKPXWFQFAO-MRVPVSSYSA-N -1 3 351.819 3.263 20 0 FGADHM CO[C@H](C)c1nc(COc2ccc(-c3nn[n-]n3)cc2Cl)cs1 ZINC000821675519 606171053 /nfs/dbraw/zinc/17/10/53/606171053.db2.gz NGRQCKPXWFQFAO-MRVPVSSYSA-N -1 3 351.819 3.263 20 0 FGADHM C[C@H](SCC(=O)N1[C@@H](C)CCC[C@@H]1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820550300 606179305 /nfs/dbraw/zinc/17/93/05/606179305.db2.gz WJVZAEJJIZZHMT-IHRRRGAJSA-N -1 3 359.499 3.450 20 0 FGADHM C[C@H](SCC(=O)N1[C@@H](C)CCC[C@@H]1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820550300 606179307 /nfs/dbraw/zinc/17/93/07/606179307.db2.gz WJVZAEJJIZZHMT-IHRRRGAJSA-N -1 3 359.499 3.450 20 0 FGADHM C[C@@H](OC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1)[C@H]1CCOC1 ZINC000820512045 606181600 /nfs/dbraw/zinc/18/16/00/606181600.db2.gz GAXMBWHFCPXENC-KGLIPLIRSA-N -1 3 364.405 3.116 20 0 FGADHM C[C@@H](OC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1)[C@H]1CCOC1 ZINC000820512045 606181601 /nfs/dbraw/zinc/18/16/01/606181601.db2.gz GAXMBWHFCPXENC-KGLIPLIRSA-N -1 3 364.405 3.116 20 0 FGADHM Cc1ccc(CCCC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)s1 ZINC000822236377 606186498 /nfs/dbraw/zinc/18/64/98/606186498.db2.gz WRPWKORPUQBPDP-ZDUSSCGKSA-N -1 3 355.467 3.437 20 0 FGADHM Cc1ccc(CCCC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)s1 ZINC000822236377 606186500 /nfs/dbraw/zinc/18/65/00/606186500.db2.gz WRPWKORPUQBPDP-ZDUSSCGKSA-N -1 3 355.467 3.437 20 0 FGADHM Cc1ccc(CCCC(=O)OCc2cc(-c3nnn[n-]3)ccc2F)s1 ZINC000822235923 606190437 /nfs/dbraw/zinc/19/04/37/606190437.db2.gz BXZYQVFCCQGOOV-UHFFFAOYSA-N -1 3 360.414 3.442 20 0 FGADHM Cc1ccc(CCCC(=O)OCc2cc(-c3nn[n-]n3)ccc2F)s1 ZINC000822235923 606190439 /nfs/dbraw/zinc/19/04/39/606190439.db2.gz BXZYQVFCCQGOOV-UHFFFAOYSA-N -1 3 360.414 3.442 20 0 FGADHM O=C([C@H]1C[C@@H]1C1CC1)N(Cc1ccccc1)c1ccccc1-c1nnn[n-]1 ZINC000822916926 606223838 /nfs/dbraw/zinc/22/38/38/606223838.db2.gz ITMQPKZELWYCEL-MSOLQXFVSA-N -1 3 359.433 3.446 20 0 FGADHM O=C([C@H]1C[C@@H]1C1CC1)N(Cc1ccccc1)c1ccccc1-c1nn[n-]n1 ZINC000822916926 606223839 /nfs/dbraw/zinc/22/38/39/606223839.db2.gz ITMQPKZELWYCEL-MSOLQXFVSA-N -1 3 359.433 3.446 20 0 FGADHM CC(C)N(C(=O)c1cc(-c2nnn[n-]2)cn1C)c1ccc(F)cc1Cl ZINC000820112063 606241386 /nfs/dbraw/zinc/24/13/86/606241386.db2.gz IBTSCWWHFDCTTR-UHFFFAOYSA-N -1 3 362.796 3.053 20 0 FGADHM CC(C)N(C(=O)c1cc(-c2nn[n-]n2)cn1C)c1ccc(F)cc1Cl ZINC000820112063 606241388 /nfs/dbraw/zinc/24/13/88/606241388.db2.gz IBTSCWWHFDCTTR-UHFFFAOYSA-N -1 3 362.796 3.053 20 0 FGADHM Cc1ccc(Cl)cc1N[C@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O ZINC000822239833 606243984 /nfs/dbraw/zinc/24/39/84/606243984.db2.gz GQUQMZUYSPDTJG-LBPRGKRZSA-N -1 3 374.857 3.107 20 0 FGADHM Cc1ccc(Cl)cc1N[C@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O ZINC000822239833 606243985 /nfs/dbraw/zinc/24/39/85/606243985.db2.gz GQUQMZUYSPDTJG-LBPRGKRZSA-N -1 3 374.857 3.107 20 0 FGADHM Cc1ccc(N[C@@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)cc1Cl ZINC000822255330 606245450 /nfs/dbraw/zinc/24/54/50/606245450.db2.gz ZCVIKDJSYNKXFT-CYBMUJFWSA-N -1 3 374.857 3.107 20 0 FGADHM Cc1ccc(N[C@@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)cc1Cl ZINC000822255330 606245453 /nfs/dbraw/zinc/24/54/53/606245453.db2.gz ZCVIKDJSYNKXFT-CYBMUJFWSA-N -1 3 374.857 3.107 20 0 FGADHM CCCCOc1ccc(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000821077572 606261329 /nfs/dbraw/zinc/26/13/29/606261329.db2.gz MALHDGZLWWQPIC-UHFFFAOYSA-N -1 3 355.373 3.437 20 0 FGADHM CCCCOc1ccc(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000821077572 606261331 /nfs/dbraw/zinc/26/13/31/606261331.db2.gz MALHDGZLWWQPIC-UHFFFAOYSA-N -1 3 355.373 3.437 20 0 FGADHM C[C@@H](CCc1cccc(F)c1)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820254749 606266502 /nfs/dbraw/zinc/26/65/02/606266502.db2.gz WCCBBNZKNCTFSP-NSHDSACASA-N -1 3 357.364 3.352 20 0 FGADHM C[C@@H](CCc1cccc(F)c1)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820254749 606266505 /nfs/dbraw/zinc/26/65/05/606266505.db2.gz WCCBBNZKNCTFSP-NSHDSACASA-N -1 3 357.364 3.352 20 0 FGADHM O=C(Cc1csc2ccccc12)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000823118645 606270916 /nfs/dbraw/zinc/27/09/16/606270916.db2.gz JZLLNFCNELIRFP-UHFFFAOYSA-N -1 3 353.382 3.402 20 0 FGADHM O=C(Cc1csc2ccccc12)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000823118645 606270918 /nfs/dbraw/zinc/27/09/18/606270918.db2.gz JZLLNFCNELIRFP-UHFFFAOYSA-N -1 3 353.382 3.402 20 0 FGADHM C[C@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)NCc1ccc(Cl)cc1 ZINC000820557565 606325782 /nfs/dbraw/zinc/32/57/82/606325782.db2.gz ZWIZXYPTFUDXMY-NSHDSACASA-N -1 3 373.869 3.317 20 0 FGADHM C[C@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)NCc1ccc(Cl)cc1 ZINC000820557565 606325784 /nfs/dbraw/zinc/32/57/84/606325784.db2.gz ZWIZXYPTFUDXMY-NSHDSACASA-N -1 3 373.869 3.317 20 0 FGADHM CC(C)N(C(=O)CSc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000820111614 606326898 /nfs/dbraw/zinc/32/68/98/606326898.db2.gz CARYECROBHVUCC-UHFFFAOYSA-N -1 3 353.451 3.400 20 0 FGADHM CC(C)N(C(=O)CSc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000820111614 606326900 /nfs/dbraw/zinc/32/69/00/606326900.db2.gz CARYECROBHVUCC-UHFFFAOYSA-N -1 3 353.451 3.400 20 0 FGADHM C[C@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)N1c2ccccc2C[C@H]1C ZINC000820556683 606327103 /nfs/dbraw/zinc/32/71/03/606327103.db2.gz VJHHBAZLEYVFDR-OLZOCXBDSA-N -1 3 365.462 3.325 20 0 FGADHM C[C@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)N1c2ccccc2C[C@H]1C ZINC000820556683 606327104 /nfs/dbraw/zinc/32/71/04/606327104.db2.gz VJHHBAZLEYVFDR-OLZOCXBDSA-N -1 3 365.462 3.325 20 0 FGADHM CC(=O)c1ccc(NC(=O)[C@H](C)Sc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000819834695 606328633 /nfs/dbraw/zinc/32/86/33/606328633.db2.gz RUCXANCXFUBYMV-LBPRGKRZSA-N -1 3 367.434 3.189 20 0 FGADHM CC(=O)c1ccc(NC(=O)[C@H](C)Sc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000819834695 606328634 /nfs/dbraw/zinc/32/86/34/606328634.db2.gz RUCXANCXFUBYMV-LBPRGKRZSA-N -1 3 367.434 3.189 20 0 FGADHM C[C@H](OC(=O)CCOc1ccc(F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820498049 606349459 /nfs/dbraw/zinc/34/94/59/606349459.db2.gz YMLZOXBVRNOMDI-LBPRGKRZSA-N -1 3 356.357 3.079 20 0 FGADHM C[C@H](OC(=O)CCOc1ccc(F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820498049 606349461 /nfs/dbraw/zinc/34/94/61/606349461.db2.gz YMLZOXBVRNOMDI-LBPRGKRZSA-N -1 3 356.357 3.079 20 0 FGADHM COc1cccc([C@@H](C)C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821859149 606351952 /nfs/dbraw/zinc/35/19/52/606351952.db2.gz LRDPKBGBXSVIOL-OLZOCXBDSA-N -1 3 352.394 3.283 20 0 FGADHM COc1cccc([C@@H](C)C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821859149 606351954 /nfs/dbraw/zinc/35/19/54/606351954.db2.gz LRDPKBGBXSVIOL-OLZOCXBDSA-N -1 3 352.394 3.283 20 0 FGADHM C[C@H](OC(=O)Cc1cn(C)c2ccccc12)c1ccc(-c2nnn[n-]2)cc1 ZINC000820501356 606352806 /nfs/dbraw/zinc/35/28/06/606352806.db2.gz IURSJIGDZAQWLB-ZDUSSCGKSA-N -1 3 361.405 3.205 20 0 FGADHM C[C@H](OC(=O)Cc1cn(C)c2ccccc12)c1ccc(-c2nn[n-]n2)cc1 ZINC000820501356 606352809 /nfs/dbraw/zinc/35/28/09/606352809.db2.gz IURSJIGDZAQWLB-ZDUSSCGKSA-N -1 3 361.405 3.205 20 0 FGADHM O=C(NCc1cc2c(s1)CCCC2)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000823246632 606353137 /nfs/dbraw/zinc/35/31/37/606353137.db2.gz XZFBBFRTRZRBGQ-UHFFFAOYSA-N -1 3 372.429 3.268 20 0 FGADHM O=C(NCc1cc2c(s1)CCCC2)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000823246632 606353139 /nfs/dbraw/zinc/35/31/39/606353139.db2.gz XZFBBFRTRZRBGQ-UHFFFAOYSA-N -1 3 372.429 3.268 20 0 FGADHM COc1ccc(CCC(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821790800 606357963 /nfs/dbraw/zinc/35/79/63/606357963.db2.gz UQMUHENNVHULAR-ZDUSSCGKSA-N -1 3 352.394 3.112 20 0 FGADHM COc1ccc(CCC(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821790800 606357965 /nfs/dbraw/zinc/35/79/65/606357965.db2.gz UQMUHENNVHULAR-ZDUSSCGKSA-N -1 3 352.394 3.112 20 0 FGADHM Cc1nc2ccc(C(=O)O[C@H](C)c3ccc(-c4nnn[n-]4)cc3)cc2nc1C ZINC000822459882 606359061 /nfs/dbraw/zinc/35/90/61/606359061.db2.gz ZWPDFJVHBRPUBZ-CYBMUJFWSA-N -1 3 374.404 3.345 20 0 FGADHM Cc1nc2ccc(C(=O)O[C@H](C)c3ccc(-c4nn[n-]n4)cc3)cc2nc1C ZINC000822459882 606359063 /nfs/dbraw/zinc/35/90/63/606359063.db2.gz ZWPDFJVHBRPUBZ-CYBMUJFWSA-N -1 3 374.404 3.345 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)NC1(c2nccs2)CCCC1 ZINC000823343723 606360254 /nfs/dbraw/zinc/36/02/54/606360254.db2.gz FHYZFCPNAXJNEG-UHFFFAOYSA-N -1 3 373.417 3.053 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)NC1(c2nccs2)CCCC1 ZINC000823343723 606360255 /nfs/dbraw/zinc/36/02/55/606360255.db2.gz FHYZFCPNAXJNEG-UHFFFAOYSA-N -1 3 373.417 3.053 20 0 FGADHM Cc1ncoc1C(=O)Oc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822482752 606361323 /nfs/dbraw/zinc/36/13/23/606361323.db2.gz ZGQFQRGQYSWHCL-UHFFFAOYSA-N -1 3 363.333 3.175 20 0 FGADHM Cc1ncoc1C(=O)Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822482752 606361325 /nfs/dbraw/zinc/36/13/25/606361325.db2.gz ZGQFQRGQYSWHCL-UHFFFAOYSA-N -1 3 363.333 3.175 20 0 FGADHM Cc1c(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cnc2ccccc12 ZINC000822020835 606363038 /nfs/dbraw/zinc/36/30/38/606363038.db2.gz KQOMRISFILXREI-CYBMUJFWSA-N -1 3 358.405 3.214 20 0 FGADHM Cc1c(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cnc2ccccc12 ZINC000822020835 606363040 /nfs/dbraw/zinc/36/30/40/606363040.db2.gz KQOMRISFILXREI-CYBMUJFWSA-N -1 3 358.405 3.214 20 0 FGADHM CC[C@@H](Oc1ccccc1Cl)C(=O)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000820939449 606372208 /nfs/dbraw/zinc/37/22/08/606372208.db2.gz URUNOWPTDRNBOX-CQSZACIVSA-N -1 3 358.785 3.283 20 0 FGADHM CC[C@@H](Oc1ccccc1Cl)C(=O)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000820939449 606372209 /nfs/dbraw/zinc/37/22/09/606372209.db2.gz URUNOWPTDRNBOX-CQSZACIVSA-N -1 3 358.785 3.283 20 0 FGADHM CCN1C(=O)c2ccc(Cl)cc2N[C@@H]1c1ccc(-c2nnn[n-]2)s1 ZINC000821243195 606393326 /nfs/dbraw/zinc/39/33/26/606393326.db2.gz ZWHSPIXQZMEABY-AWEZNQCLSA-N -1 3 360.830 3.168 20 0 FGADHM C[C@H](OC(=O)CCC(=O)c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820489082 606396332 /nfs/dbraw/zinc/39/63/32/606396332.db2.gz ZBNWAMRFNZAICO-ZDUSSCGKSA-N -1 3 350.378 3.134 20 0 FGADHM C[C@H](OC(=O)CCC(=O)c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820489082 606396334 /nfs/dbraw/zinc/39/63/34/606396334.db2.gz ZBNWAMRFNZAICO-ZDUSSCGKSA-N -1 3 350.378 3.134 20 0 FGADHM CC[C@@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)Oc1ccccc1F ZINC000820908881 606402284 /nfs/dbraw/zinc/40/22/84/606402284.db2.gz QQFIJPOCCQPKNU-NSHDSACASA-N -1 3 362.796 3.324 20 0 FGADHM CC[C@@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)Oc1ccccc1F ZINC000820908881 606402285 /nfs/dbraw/zinc/40/22/85/606402285.db2.gz QQFIJPOCCQPKNU-NSHDSACASA-N -1 3 362.796 3.324 20 0 FGADHM Cc1ccc([C@H]2CCC[C@@H]2OC(=O)c2cc(-c3nnn[n-]3)cn2C)cc1 ZINC000822233735 606409109 /nfs/dbraw/zinc/40/91/09/606409109.db2.gz UEEUBHLVZBLKMV-WBVHZDCISA-N -1 3 351.410 3.007 20 0 FGADHM Cc1ccc([C@H]2CCC[C@@H]2OC(=O)c2cc(-c3nn[n-]n3)cn2C)cc1 ZINC000822233735 606409112 /nfs/dbraw/zinc/40/91/12/606409112.db2.gz UEEUBHLVZBLKMV-WBVHZDCISA-N -1 3 351.410 3.007 20 0 FGADHM Fc1ccc(C2CCN(c3ncc(-c4nnn[n-]4)cc3Cl)CC2)cc1 ZINC000822766483 606432672 /nfs/dbraw/zinc/43/26/72/606432672.db2.gz KJQRUJKNWYSIBG-UHFFFAOYSA-N -1 3 358.808 3.438 20 0 FGADHM Fc1ccc(C2CCN(c3ncc(-c4nn[n-]n4)cc3Cl)CC2)cc1 ZINC000822766483 606432673 /nfs/dbraw/zinc/43/26/73/606432673.db2.gz KJQRUJKNWYSIBG-UHFFFAOYSA-N -1 3 358.808 3.438 20 0 FGADHM Fc1ccc(C2CCN(c3nc4c(cc3-c3nnn[n-]3)CCC4)CC2)cc1 ZINC000822766417 606433035 /nfs/dbraw/zinc/43/30/35/606433035.db2.gz IVFNZACWODPHAP-UHFFFAOYSA-N -1 3 364.428 3.274 20 0 FGADHM Fc1ccc(C2CCN(c3nc4c(cc3-c3nn[n-]n3)CCC4)CC2)cc1 ZINC000822766417 606433036 /nfs/dbraw/zinc/43/30/36/606433036.db2.gz IVFNZACWODPHAP-UHFFFAOYSA-N -1 3 364.428 3.274 20 0 FGADHM C[C@@H]1CCCN1C(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000820709798 606438185 /nfs/dbraw/zinc/43/81/85/606438185.db2.gz MBVPQHGOGZWLLA-CQSZACIVSA-N -1 3 363.421 3.070 20 0 FGADHM C[C@@H]1CCCN1C(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000820709798 606438188 /nfs/dbraw/zinc/43/81/88/606438188.db2.gz MBVPQHGOGZWLLA-CQSZACIVSA-N -1 3 363.421 3.070 20 0 FGADHM COc1ccc(OC)c([C@@H]2CCCN2c2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000821843112 606443321 /nfs/dbraw/zinc/44/33/21/606443321.db2.gz ZDLGKPFEYBTGDK-INIZCTEOSA-N -1 3 369.400 3.365 20 0 FGADHM COc1ccc(OC)c([C@@H]2CCCN2c2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000821843112 606443322 /nfs/dbraw/zinc/44/33/22/606443322.db2.gz ZDLGKPFEYBTGDK-INIZCTEOSA-N -1 3 369.400 3.365 20 0 FGADHM Cc1cc([C@H](C)NC(=O)C=Cc2ccccc2-c2nnn[n-]2)ccc1F ZINC000822191803 606450300 /nfs/dbraw/zinc/45/03/00/606450300.db2.gz RGNWTZWRKGQWJS-KJJQSCHISA-N -1 3 351.385 3.205 20 0 FGADHM Cc1cc([C@H](C)NC(=O)C=Cc2ccccc2-c2nn[n-]n2)ccc1F ZINC000822191803 606450302 /nfs/dbraw/zinc/45/03/02/606450302.db2.gz RGNWTZWRKGQWJS-KJJQSCHISA-N -1 3 351.385 3.205 20 0 FGADHM C[C@H](Nc1c(Cl)cccc1-c1nnn[n-]1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000820451713 606455021 /nfs/dbraw/zinc/45/50/21/606455021.db2.gz WWKXBYZVSUWGGM-QMMMGPOBSA-N -1 3 355.789 3.275 20 0 FGADHM C[C@H](Nc1c(Cl)cccc1-c1nn[n-]n1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000820451713 606455022 /nfs/dbraw/zinc/45/50/22/606455022.db2.gz WWKXBYZVSUWGGM-QMMMGPOBSA-N -1 3 355.789 3.275 20 0 FGADHM CCc1ccc(CC)c(NC(=O)COc2ccccc2-c2nnn[n-]2)c1 ZINC000821482102 606459838 /nfs/dbraw/zinc/45/98/38/606459838.db2.gz QBRZNIRPDDCYDH-UHFFFAOYSA-N -1 3 351.410 3.009 20 0 FGADHM CCc1ccc(CC)c(NC(=O)COc2ccccc2-c2nn[n-]n2)c1 ZINC000821482102 606459840 /nfs/dbraw/zinc/45/98/40/606459840.db2.gz QBRZNIRPDDCYDH-UHFFFAOYSA-N -1 3 351.410 3.009 20 0 FGADHM Cc1ccc(OC(=O)c2cc(-c3nnn[n-]3)cs2)c(Br)c1 ZINC000822258759 606461763 /nfs/dbraw/zinc/46/17/63/606461763.db2.gz BQYKHXOTMRPSQB-UHFFFAOYSA-N -1 3 365.212 3.218 20 0 FGADHM Cc1ccc(OC(=O)c2cc(-c3nn[n-]n3)cs2)c(Br)c1 ZINC000822258759 606461764 /nfs/dbraw/zinc/46/17/64/606461764.db2.gz BQYKHXOTMRPSQB-UHFFFAOYSA-N -1 3 365.212 3.218 20 0 FGADHM CCO[C@H]1C[C@@H](OC(=O)c2cc(-c3nnn[n-]3)cs2)C12CCCCC2 ZINC000821367206 606466840 /nfs/dbraw/zinc/46/68/40/606466840.db2.gz COSQXLSMJGBXFD-UONOGXRCSA-N -1 3 362.455 3.213 20 0 FGADHM CCO[C@H]1C[C@@H](OC(=O)c2cc(-c3nn[n-]n3)cs2)C12CCCCC2 ZINC000821367206 606466841 /nfs/dbraw/zinc/46/68/41/606466841.db2.gz COSQXLSMJGBXFD-UONOGXRCSA-N -1 3 362.455 3.213 20 0 FGADHM O=C(Nc1nc(-c2ccccc2)cs1)c1cc(-c2nnn[n-]2)cs1 ZINC000823376076 606476347 /nfs/dbraw/zinc/47/63/47/606476347.db2.gz WLQFLAQGPUPZKI-UHFFFAOYSA-N -1 3 354.420 3.304 20 0 FGADHM O=C(Nc1nc(-c2ccccc2)cs1)c1cc(-c2nn[n-]n2)cs1 ZINC000823376076 606476349 /nfs/dbraw/zinc/47/63/49/606476349.db2.gz WLQFLAQGPUPZKI-UHFFFAOYSA-N -1 3 354.420 3.304 20 0 FGADHM O=C(Nc1ccc(OC(F)(F)F)cc1)c1cc(-c2nnn[n-]2)cs1 ZINC000823350381 606477772 /nfs/dbraw/zinc/47/77/72/606477772.db2.gz LAVJKKVVYSRRKG-UHFFFAOYSA-N -1 3 355.301 3.079 20 0 FGADHM O=C(Nc1ccc(OC(F)(F)F)cc1)c1cc(-c2nn[n-]n2)cs1 ZINC000823350381 606477773 /nfs/dbraw/zinc/47/77/73/606477773.db2.gz LAVJKKVVYSRRKG-UHFFFAOYSA-N -1 3 355.301 3.079 20 0 FGADHM Cc1cccc(-c2c[nH]c([C@@H]3CCCN3c3ncccc3-c3nnn[n-]3)n2)c1 ZINC000822284062 606481117 /nfs/dbraw/zinc/48/11/17/606481117.db2.gz IEDAUIMPNUVUKT-KRWDZBQOSA-N -1 3 372.436 3.302 20 0 FGADHM Cc1cccc(-c2c[nH]c([C@@H]3CCCN3c3ncccc3-c3nn[n-]n3)n2)c1 ZINC000822284062 606481118 /nfs/dbraw/zinc/48/11/18/606481118.db2.gz IEDAUIMPNUVUKT-KRWDZBQOSA-N -1 3 372.436 3.302 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)NCc1ccc(Cl)cc1Cl ZINC000823097985 606487308 /nfs/dbraw/zinc/48/73/08/606487308.db2.gz GIIRUSGMEYWVTE-UHFFFAOYSA-N -1 3 362.220 3.032 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)NCc1ccc(Cl)cc1Cl ZINC000823097985 606487310 /nfs/dbraw/zinc/48/73/10/606487310.db2.gz GIIRUSGMEYWVTE-UHFFFAOYSA-N -1 3 362.220 3.032 20 0 FGADHM CCN(Cc1ccc(Cl)s1)C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821220613 606493685 /nfs/dbraw/zinc/49/36/85/606493685.db2.gz CORLRPXLONKZHV-UHFFFAOYSA-N -1 3 361.858 3.173 20 0 FGADHM CCN(Cc1ccc(Cl)s1)C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821220613 606493687 /nfs/dbraw/zinc/49/36/87/606493687.db2.gz CORLRPXLONKZHV-UHFFFAOYSA-N -1 3 361.858 3.173 20 0 FGADHM CC[C@H](Oc1cccc(C)c1)C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820939754 606503493 /nfs/dbraw/zinc/50/34/93/606503493.db2.gz XRRSNDOHSGZUDQ-KSSFIOAISA-N -1 3 365.437 3.210 20 0 FGADHM CC[C@H](Oc1cccc(C)c1)C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820939754 606503494 /nfs/dbraw/zinc/50/34/94/606503494.db2.gz XRRSNDOHSGZUDQ-KSSFIOAISA-N -1 3 365.437 3.210 20 0 FGADHM CCN(Cc1ccc(Cl)cc1)C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821222656 606505446 /nfs/dbraw/zinc/50/54/46/606505446.db2.gz WGAHNKOUDROOBF-UHFFFAOYSA-N -1 3 355.829 3.111 20 0 FGADHM CCN(Cc1ccc(Cl)cc1)C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821222656 606505448 /nfs/dbraw/zinc/50/54/48/606505448.db2.gz WGAHNKOUDROOBF-UHFFFAOYSA-N -1 3 355.829 3.111 20 0 FGADHM Cc1c(Br)cccc1NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000822015880 606506511 /nfs/dbraw/zinc/50/65/11/606506511.db2.gz QIRJHKCTCYAUAS-UHFFFAOYSA-N -1 3 364.228 3.251 20 0 FGADHM Cc1c(Br)cccc1NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000822015880 606506513 /nfs/dbraw/zinc/50/65/13/606506513.db2.gz QIRJHKCTCYAUAS-UHFFFAOYSA-N -1 3 364.228 3.251 20 0 FGADHM O=C(c1cc(-c2nnn[n-]2)cs1)N(Cc1cscn1)c1ccccc1 ZINC000823466251 606510270 /nfs/dbraw/zinc/51/02/70/606510270.db2.gz IHBGDAXVEBBTAL-UHFFFAOYSA-N -1 3 368.447 3.232 20 0 FGADHM O=C(c1cc(-c2nn[n-]n2)cs1)N(Cc1cscn1)c1ccccc1 ZINC000823466251 606510271 /nfs/dbraw/zinc/51/02/71/606510271.db2.gz IHBGDAXVEBBTAL-UHFFFAOYSA-N -1 3 368.447 3.232 20 0 FGADHM Cc1ccc(Br)cc1NC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000822225365 606513534 /nfs/dbraw/zinc/51/35/34/606513534.db2.gz ZXTGSRCDWUHCOK-UHFFFAOYSA-N -1 3 372.226 3.119 20 0 FGADHM Cc1ccc(Br)cc1NC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000822225365 606513535 /nfs/dbraw/zinc/51/35/35/606513535.db2.gz ZXTGSRCDWUHCOK-UHFFFAOYSA-N -1 3 372.226 3.119 20 0 FGADHM Cc1ccc([C@@H]2CSCCN2C(=O)c2cc(-c3nnn[n-]3)cs2)cc1 ZINC000822234020 606514376 /nfs/dbraw/zinc/51/43/76/606514376.db2.gz ZVEASSQDBQLLKC-AWEZNQCLSA-N -1 3 371.491 3.167 20 0 FGADHM Cc1ccc([C@@H]2CSCCN2C(=O)c2cc(-c3nn[n-]n3)cs2)cc1 ZINC000822234020 606514378 /nfs/dbraw/zinc/51/43/78/606514378.db2.gz ZVEASSQDBQLLKC-AWEZNQCLSA-N -1 3 371.491 3.167 20 0 FGADHM Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)c2cc(-c3nnn[n-]3)cs2)C1 ZINC000822351538 606514579 /nfs/dbraw/zinc/51/45/79/606514579.db2.gz NYOCGNSMNMXODV-OLZOCXBDSA-N -1 3 353.451 3.255 20 0 FGADHM Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)c2cc(-c3nn[n-]n3)cs2)C1 ZINC000822351538 606514580 /nfs/dbraw/zinc/51/45/80/606514580.db2.gz NYOCGNSMNMXODV-OLZOCXBDSA-N -1 3 353.451 3.255 20 0 FGADHM O=C(c1cc(-c2nnn[n-]2)cs1)N1CC[C@H](CSc2ccccc2)C1 ZINC000823467105 606520336 /nfs/dbraw/zinc/52/03/36/606520336.db2.gz RNLJNLYZJBMSNG-LBPRGKRZSA-N -1 3 371.491 3.183 20 0 FGADHM O=C(c1cc(-c2nn[n-]n2)cs1)N1CC[C@H](CSc2ccccc2)C1 ZINC000823467105 606520337 /nfs/dbraw/zinc/52/03/37/606520337.db2.gz RNLJNLYZJBMSNG-LBPRGKRZSA-N -1 3 371.491 3.183 20 0 FGADHM CC[C@H](Oc1ccccc1C)C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820939809 606522686 /nfs/dbraw/zinc/52/26/86/606522686.db2.gz YSVKWLBPYCEAJR-YOEHRIQHSA-N -1 3 365.437 3.210 20 0 FGADHM CC[C@H](Oc1ccccc1C)C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820939809 606522688 /nfs/dbraw/zinc/52/26/88/606522688.db2.gz YSVKWLBPYCEAJR-YOEHRIQHSA-N -1 3 365.437 3.210 20 0 FGADHM O=C(NCC1CCC(C(F)(F)F)CC1)c1cc(-c2nnn[n-]2)cs1 ZINC000823175280 606525270 /nfs/dbraw/zinc/52/52/70/606525270.db2.gz DSNLYSWBAZZHJI-UHFFFAOYSA-N -1 3 359.377 3.027 20 0 FGADHM O=C(NCC1CCC(C(F)(F)F)CC1)c1cc(-c2nn[n-]n2)cs1 ZINC000823175280 606525271 /nfs/dbraw/zinc/52/52/71/606525271.db2.gz DSNLYSWBAZZHJI-UHFFFAOYSA-N -1 3 359.377 3.027 20 0 FGADHM Cc1ccc([C@H]2CCCN2C(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000822233183 606535068 /nfs/dbraw/zinc/53/50/68/606535068.db2.gz JNAGLXPKNWPELO-LJQANCHMSA-N -1 3 361.449 3.390 20 0 FGADHM Cc1ccc([C@H]2CCCN2C(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000822233183 606535069 /nfs/dbraw/zinc/53/50/69/606535069.db2.gz JNAGLXPKNWPELO-LJQANCHMSA-N -1 3 361.449 3.390 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N1CCC[C@@H](c2ccccc2)CC1 ZINC000823087165 606547752 /nfs/dbraw/zinc/54/77/52/606547752.db2.gz IQRCJNBJEZYVSQ-GOSISDBHSA-N -1 3 361.449 3.206 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N1CCC[C@@H](c2ccccc2)CC1 ZINC000823087165 606547754 /nfs/dbraw/zinc/54/77/54/606547754.db2.gz IQRCJNBJEZYVSQ-GOSISDBHSA-N -1 3 361.449 3.206 20 0 FGADHM C[C@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccc(F)cc1F ZINC000822000244 606549072 /nfs/dbraw/zinc/54/90/72/606549072.db2.gz CDRSEMRTNAXEBY-WDDYJBPVSA-N -1 3 355.348 3.036 20 0 FGADHM C[C@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC000822000244 606549073 /nfs/dbraw/zinc/54/90/73/606549073.db2.gz CDRSEMRTNAXEBY-WDDYJBPVSA-N -1 3 355.348 3.036 20 0 FGADHM Cc1nc(-c2cccc(NC(=O)c3cc(-c4nnn[n-]4)cs3)c2)[nH]c1C ZINC000822418655 606555813 /nfs/dbraw/zinc/55/58/13/606555813.db2.gz BURYJJPRKYYPMO-UHFFFAOYSA-N -1 3 365.422 3.187 20 0 FGADHM Cc1nc(-c2cccc(NC(=O)c3cc(-c4nn[n-]n4)cs3)c2)[nH]c1C ZINC000822418655 606555814 /nfs/dbraw/zinc/55/58/14/606555814.db2.gz BURYJJPRKYYPMO-UHFFFAOYSA-N -1 3 365.422 3.187 20 0 FGADHM O=C(CC1CCCC1)OCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000822941033 606557595 /nfs/dbraw/zinc/55/75/95/606557595.db2.gz NQZLGXGEKIYHIR-UHFFFAOYSA-N -1 3 352.341 3.092 20 0 FGADHM O=C(CC1CCCC1)OCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000822941033 606557596 /nfs/dbraw/zinc/55/75/96/606557596.db2.gz NQZLGXGEKIYHIR-UHFFFAOYSA-N -1 3 352.341 3.092 20 0 FGADHM O=C(Nc1cc(C2CCCCCC2)[nH]n1)c1cc(-c2nnn[n-]2)cs1 ZINC000823299167 606572436 /nfs/dbraw/zinc/57/24/36/606572436.db2.gz KXTUZFMLVWPNJZ-UHFFFAOYSA-N -1 3 357.443 3.341 20 0 FGADHM O=C(Nc1cc(C2CCCCCC2)[nH]n1)c1cc(-c2nn[n-]n2)cs1 ZINC000823299167 606572437 /nfs/dbraw/zinc/57/24/37/606572437.db2.gz KXTUZFMLVWPNJZ-UHFFFAOYSA-N -1 3 357.443 3.341 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H](C)c1ccc(F)c(C)c1 ZINC000821762433 606576594 /nfs/dbraw/zinc/57/65/94/606576594.db2.gz LGSCJJKVZAJKDZ-LLVKDONJSA-N -1 3 370.388 3.206 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H](C)c1ccc(F)c(C)c1 ZINC000821762433 606576595 /nfs/dbraw/zinc/57/65/95/606576595.db2.gz LGSCJJKVZAJKDZ-LLVKDONJSA-N -1 3 370.388 3.206 20 0 FGADHM C[C@@H]1CCN(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)[C@H]1C ZINC000820716331 606577906 /nfs/dbraw/zinc/57/79/06/606577906.db2.gz IZHOHZBJKOUOGG-BDAKNGLRSA-N -1 3 354.336 3.148 20 0 FGADHM C[C@@H]1CCN(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)[C@H]1C ZINC000820716331 606577908 /nfs/dbraw/zinc/57/79/08/606577908.db2.gz IZHOHZBJKOUOGG-BDAKNGLRSA-N -1 3 354.336 3.148 20 0 FGADHM O=C(Nc1nc(-c2ccc(O)cc2)cs1)c1cc(-c2nnn[n-]2)cs1 ZINC000823375811 606585776 /nfs/dbraw/zinc/58/57/76/606585776.db2.gz KSIFGPYJNHACSE-UHFFFAOYSA-N -1 3 370.419 3.010 20 0 FGADHM O=C(Nc1nc(-c2ccc(O)cc2)cs1)c1cc(-c2nn[n-]n2)cs1 ZINC000823375811 606585777 /nfs/dbraw/zinc/58/57/77/606585777.db2.gz KSIFGPYJNHACSE-UHFFFAOYSA-N -1 3 370.419 3.010 20 0 FGADHM FC(F)Oc1cc(-c2nnn[n-]2)ccc1CSC(=S)N1CCCC1 ZINC000822733375 606590035 /nfs/dbraw/zinc/59/00/35/606590035.db2.gz ZWIWWRCQPVTODD-UHFFFAOYSA-N -1 3 371.438 3.082 20 0 FGADHM FC(F)Oc1cc(-c2nn[n-]n2)ccc1CSC(=S)N1CCCC1 ZINC000822733375 606590037 /nfs/dbraw/zinc/59/00/37/606590037.db2.gz ZWIWWRCQPVTODD-UHFFFAOYSA-N -1 3 371.438 3.082 20 0 FGADHM FC(F)Oc1cc(-c2nnn[n-]2)ccc1COc1cccnc1Cl ZINC000822732117 606591758 /nfs/dbraw/zinc/59/17/58/606591758.db2.gz ILXHQUUZXLBHGW-UHFFFAOYSA-N -1 3 353.716 3.096 20 0 FGADHM FC(F)Oc1cc(-c2nn[n-]n2)ccc1COc1cccnc1Cl ZINC000822732117 606591760 /nfs/dbraw/zinc/59/17/60/606591760.db2.gz ILXHQUUZXLBHGW-UHFFFAOYSA-N -1 3 353.716 3.096 20 0 FGADHM COCc1ccccc1NCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000821695862 606596669 /nfs/dbraw/zinc/59/66/69/606596669.db2.gz KZPRSNNHHQCDPH-UHFFFAOYSA-N -1 3 361.352 3.227 20 0 FGADHM COCc1ccccc1NCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000821695862 606596671 /nfs/dbraw/zinc/59/66/71/606596671.db2.gz KZPRSNNHHQCDPH-UHFFFAOYSA-N -1 3 361.352 3.227 20 0 FGADHM O=C(CCc1ccoc1)Nc1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000822983628 606601592 /nfs/dbraw/zinc/60/15/92/606601592.db2.gz RKMZIAJVZPYFFP-UHFFFAOYSA-N -1 3 366.406 3.155 20 0 FGADHM O=C(CCc1ccoc1)Nc1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000822983628 606601594 /nfs/dbraw/zinc/60/15/94/606601594.db2.gz RKMZIAJVZPYFFP-UHFFFAOYSA-N -1 3 366.406 3.155 20 0 FGADHM CC(C)C1(CNC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)CC1 ZINC000820031339 606616784 /nfs/dbraw/zinc/61/67/84/606616784.db2.gz CRNZGUNXJIZPHD-UHFFFAOYSA-N -1 3 366.372 3.026 20 0 FGADHM CC(C)C1(CNC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)CC1 ZINC000820031339 606616785 /nfs/dbraw/zinc/61/67/85/606616785.db2.gz CRNZGUNXJIZPHD-UHFFFAOYSA-N -1 3 366.372 3.026 20 0 FGADHM Cc1ccc(CNC(=O)c2cccc(-c3nnn[n-]3)c2)c(OC(C)(C)C)c1 ZINC000822238541 606622645 /nfs/dbraw/zinc/62/26/45/606622645.db2.gz LRZWXSFFGIGBFX-UHFFFAOYSA-N -1 3 365.437 3.282 20 0 FGADHM Cc1ccc(CNC(=O)c2cccc(-c3nn[n-]n3)c2)c(OC(C)(C)C)c1 ZINC000822238541 606622646 /nfs/dbraw/zinc/62/26/46/606622646.db2.gz LRZWXSFFGIGBFX-UHFFFAOYSA-N -1 3 365.437 3.282 20 0 FGADHM O=C(c1cc(-c2nnn[n-]2)cs1)N(CC(F)F)c1cccc(Cl)c1 ZINC000823467572 606623766 /nfs/dbraw/zinc/62/37/66/606623766.db2.gz XOJYEJGONFSFFC-UHFFFAOYSA-N -1 3 369.784 3.494 20 0 FGADHM O=C(c1cc(-c2nn[n-]n2)cs1)N(CC(F)F)c1cccc(Cl)c1 ZINC000823467572 606623767 /nfs/dbraw/zinc/62/37/67/606623767.db2.gz XOJYEJGONFSFFC-UHFFFAOYSA-N -1 3 369.784 3.494 20 0 FGADHM O=C1CCCc2ccc(NCCCOc3ccc(-c4nn[n-]n4)cc3)cc21 ZINC000823530477 606625623 /nfs/dbraw/zinc/62/56/23/606625623.db2.gz LLQWTGGDDGRHNO-UHFFFAOYSA-N -1 3 363.421 3.267 20 0 FGADHM CC(=O)Nc1nc(CSc2ccc(Cl)cc2-c2nnn[n-]2)cs1 ZINC000819826994 606629502 /nfs/dbraw/zinc/62/95/02/606629502.db2.gz OJXKPHKUOSXBSM-UHFFFAOYSA-N -1 3 366.859 3.227 20 0 FGADHM CC(=O)Nc1nc(CSc2ccc(Cl)cc2-c2nn[n-]n2)cs1 ZINC000819826994 606629503 /nfs/dbraw/zinc/62/95/03/606629503.db2.gz OJXKPHKUOSXBSM-UHFFFAOYSA-N -1 3 366.859 3.227 20 0 FGADHM O[C@H]1CCCC[C@H]1Oc1ccc(NCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000823706888 606657614 /nfs/dbraw/zinc/65/76/14/606657614.db2.gz QVSDMWRMUOUOLK-RBUKOAKNSA-N -1 3 365.437 3.161 20 0 FGADHM O[C@H]1CCCC[C@H]1Oc1ccc(NCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000823706888 606657615 /nfs/dbraw/zinc/65/76/15/606657615.db2.gz QVSDMWRMUOUOLK-RBUKOAKNSA-N -1 3 365.437 3.161 20 0 FGADHM Cc1sc(NC(=O)CCO[C@H](C)CC(C)C)c(-c2nnn[n-]2)c1C ZINC000822559047 606664643 /nfs/dbraw/zinc/66/46/43/606664643.db2.gz UZAOYNYIBWPKRL-SNVBAGLBSA-N -1 3 351.476 3.325 20 0 FGADHM Cc1sc(NC(=O)CCO[C@H](C)CC(C)C)c(-c2nn[n-]n2)c1C ZINC000822559047 606664644 /nfs/dbraw/zinc/66/46/44/606664644.db2.gz UZAOYNYIBWPKRL-SNVBAGLBSA-N -1 3 351.476 3.325 20 0 FGADHM O=C(c1c(F)cc(-c2nnn[n-]2)cc1F)N1CCC[C@H]1c1cccs1 ZINC000823454028 606666446 /nfs/dbraw/zinc/66/64/46/606666446.db2.gz JHIJURBBHNLRCY-LBPRGKRZSA-N -1 3 361.377 3.184 20 0 FGADHM O=C(c1c(F)cc(-c2nn[n-]n2)cc1F)N1CCC[C@H]1c1cccs1 ZINC000823454028 606666447 /nfs/dbraw/zinc/66/64/47/606666447.db2.gz JHIJURBBHNLRCY-LBPRGKRZSA-N -1 3 361.377 3.184 20 0 FGADHM O=C(c1c(F)cc(-c2nnn[n-]2)cc1F)N(Cc1ccc(F)cc1)C1CC1 ZINC000823454005 606667352 /nfs/dbraw/zinc/66/73/52/606667352.db2.gz IIPNCRTUYNICRS-UHFFFAOYSA-N -1 3 373.338 3.089 20 0 FGADHM O=C(c1c(F)cc(-c2nn[n-]n2)cc1F)N(Cc1ccc(F)cc1)C1CC1 ZINC000823454005 606667353 /nfs/dbraw/zinc/66/73/53/606667353.db2.gz IIPNCRTUYNICRS-UHFFFAOYSA-N -1 3 373.338 3.089 20 0 FGADHM O=C(NCc1cccc2ccccc21)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823262006 606667361 /nfs/dbraw/zinc/66/73/61/606667361.db2.gz ZJVKHCKCPSPQSY-UHFFFAOYSA-N -1 3 365.343 3.228 20 0 FGADHM O=C(NCc1cccc2ccccc21)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823262006 606667362 /nfs/dbraw/zinc/66/73/62/606667362.db2.gz ZJVKHCKCPSPQSY-UHFFFAOYSA-N -1 3 365.343 3.228 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)CCO[C@@H](C)CC(C)C ZINC000821407075 606673640 /nfs/dbraw/zinc/67/36/40/606673640.db2.gz OCVKPVZQMNHXCQ-ZDUSSCGKSA-N -1 3 361.446 3.045 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)CCO[C@@H](C)CC(C)C ZINC000821407075 606673641 /nfs/dbraw/zinc/67/36/41/606673641.db2.gz OCVKPVZQMNHXCQ-ZDUSSCGKSA-N -1 3 361.446 3.045 20 0 FGADHM CC1(C)CN(C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)[C@H]1c1ccccc1 ZINC000820601416 606674173 /nfs/dbraw/zinc/67/41/73/606674173.db2.gz KKVAEGQLFOQFHO-INIZCTEOSA-N -1 3 369.375 3.368 20 0 FGADHM CC1(C)CN(C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)[C@H]1c1ccccc1 ZINC000820601416 606674174 /nfs/dbraw/zinc/67/41/74/606674174.db2.gz KKVAEGQLFOQFHO-INIZCTEOSA-N -1 3 369.375 3.368 20 0 FGADHM O=C(Nc1cccc(C(F)F)c1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823363657 606676355 /nfs/dbraw/zinc/67/63/55/606676355.db2.gz LALKPFMWLVOUQO-UHFFFAOYSA-N -1 3 351.263 3.335 20 0 FGADHM O=C(Nc1cccc(C(F)F)c1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823363657 606676356 /nfs/dbraw/zinc/67/63/56/606676356.db2.gz LALKPFMWLVOUQO-UHFFFAOYSA-N -1 3 351.263 3.335 20 0 FGADHM O=C(c1c(F)cc(-c2nnn[n-]2)cc1F)N(CC1CC1)C1CCCCC1 ZINC000823454044 606677279 /nfs/dbraw/zinc/67/72/79/606677279.db2.gz JTZDIQSVOBPPIM-UHFFFAOYSA-N -1 3 361.396 3.330 20 0 FGADHM O=C(c1c(F)cc(-c2nn[n-]n2)cc1F)N(CC1CC1)C1CCCCC1 ZINC000823454044 606677280 /nfs/dbraw/zinc/67/72/80/606677280.db2.gz JTZDIQSVOBPPIM-UHFFFAOYSA-N -1 3 361.396 3.330 20 0 FGADHM O=C(O[C@@H]1CCc2ccc(F)cc21)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823396622 606685470 /nfs/dbraw/zinc/68/54/70/606685470.db2.gz LTGQIJXLBDYBDW-CQSZACIVSA-N -1 3 360.295 3.128 20 0 FGADHM O=C(O[C@@H]1CCc2ccc(F)cc21)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823396622 606685471 /nfs/dbraw/zinc/68/54/71/606685471.db2.gz LTGQIJXLBDYBDW-CQSZACIVSA-N -1 3 360.295 3.128 20 0 FGADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)O[C@@H](C)c1cc(F)cc(F)c1 ZINC000820550825 606686500 /nfs/dbraw/zinc/68/65/00/606686500.db2.gz ZLSBPBLQINXYPO-WDEREUQCSA-N -1 3 374.347 3.217 20 0 FGADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)O[C@@H](C)c1cc(F)cc(F)c1 ZINC000820550825 606686501 /nfs/dbraw/zinc/68/65/01/606686501.db2.gz ZLSBPBLQINXYPO-WDEREUQCSA-N -1 3 374.347 3.217 20 0 FGADHM O=C(Nc1cc(C2CCCCC2)[nH]n1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823299256 606689971 /nfs/dbraw/zinc/68/99/71/606689971.db2.gz OOWBCACGBIGCKQ-UHFFFAOYSA-N -1 3 373.367 3.168 20 0 FGADHM O=C(Nc1cc(C2CCCCC2)[nH]n1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823299256 606689972 /nfs/dbraw/zinc/68/99/72/606689972.db2.gz OOWBCACGBIGCKQ-UHFFFAOYSA-N -1 3 373.367 3.168 20 0 FGADHM C[C@]1(c2ccccc2)CCN(C(=O)C=Cc2ccccc2-c2nnn[n-]2)C1 ZINC000820637110 606690893 /nfs/dbraw/zinc/69/08/93/606690893.db2.gz WWNBREDVJYEMOP-GMGKOPGTSA-N -1 3 359.433 3.070 20 0 FGADHM C[C@]1(c2ccccc2)CCN(C(=O)C=Cc2ccccc2-c2nn[n-]n2)C1 ZINC000820637110 606690894 /nfs/dbraw/zinc/69/08/94/606690894.db2.gz WWNBREDVJYEMOP-GMGKOPGTSA-N -1 3 359.433 3.070 20 0 FGADHM Cc1ccc([C@@H](C)NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)cc1F ZINC000822229460 606692886 /nfs/dbraw/zinc/69/28/86/606692886.db2.gz VHCNKVKZJCKVJE-GFCCVEGCSA-N -1 3 371.441 3.284 20 0 FGADHM Cc1ccc([C@@H](C)NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000822229460 606692887 /nfs/dbraw/zinc/69/28/87/606692887.db2.gz VHCNKVKZJCKVJE-GFCCVEGCSA-N -1 3 371.441 3.284 20 0 FGADHM CC(C)[C@H]1CCN(C(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000820038122 606694586 /nfs/dbraw/zinc/69/45/86/606694586.db2.gz LFKDQGWLJFJYQN-JTQLQIEISA-N -1 3 350.879 3.195 20 0 FGADHM CC(C)[C@H]1CCN(C(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000820038122 606694587 /nfs/dbraw/zinc/69/45/87/606694587.db2.gz LFKDQGWLJFJYQN-JTQLQIEISA-N -1 3 350.879 3.195 20 0 FGADHM CSCc1cc(F)ccc1CNC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000821970812 606695758 /nfs/dbraw/zinc/69/57/58/606695758.db2.gz SMGCXVODZGIFSE-UHFFFAOYSA-N -1 3 372.429 3.191 20 0 FGADHM CSCc1cc(F)ccc1CNC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000821970812 606695759 /nfs/dbraw/zinc/69/57/59/606695759.db2.gz SMGCXVODZGIFSE-UHFFFAOYSA-N -1 3 372.429 3.191 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H](C)c1ccc(C)c(F)c1 ZINC000821762451 606696431 /nfs/dbraw/zinc/69/64/31/606696431.db2.gz LSLKGJCMLLXNEC-NSHDSACASA-N -1 3 370.388 3.206 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@H](C)c1ccc(C)c(F)c1 ZINC000821762451 606696432 /nfs/dbraw/zinc/69/64/32/606696432.db2.gz LSLKGJCMLLXNEC-NSHDSACASA-N -1 3 370.388 3.206 20 0 FGADHM Fc1ccc(NCc2nnc(-c3ccc(Cl)cc3)o2)cc1-c1nnn[n-]1 ZINC000822783174 606703459 /nfs/dbraw/zinc/70/34/59/606703459.db2.gz YIHXLDGODRQYOI-UHFFFAOYSA-N -1 3 371.763 3.321 20 0 FGADHM Fc1ccc(NCc2nnc(-c3ccc(Cl)cc3)o2)cc1-c1nn[n-]n1 ZINC000822783174 606703460 /nfs/dbraw/zinc/70/34/60/606703460.db2.gz YIHXLDGODRQYOI-UHFFFAOYSA-N -1 3 371.763 3.321 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NCc1nnc(-c2ccccc2Cl)o1 ZINC000822221402 606703468 /nfs/dbraw/zinc/70/34/68/606703468.db2.gz NTAKDNIOQZZRIB-UHFFFAOYSA-N -1 3 367.800 3.491 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NCc1nnc(-c2ccccc2Cl)o1 ZINC000822221402 606703469 /nfs/dbraw/zinc/70/34/69/606703469.db2.gz NTAKDNIOQZZRIB-UHFFFAOYSA-N -1 3 367.800 3.491 20 0 FGADHM COc1ccc(CCNc2ncc(-c3nnn[n-]3)cc2Cl)c(Cl)c1 ZINC000821790522 606721559 /nfs/dbraw/zinc/72/15/59/606721559.db2.gz PSLMRQQRHVKFNS-UHFFFAOYSA-N -1 3 365.224 3.232 20 0 FGADHM COc1ccc(CCNc2ncc(-c3nn[n-]n3)cc2Cl)c(Cl)c1 ZINC000821790522 606721561 /nfs/dbraw/zinc/72/15/61/606721561.db2.gz PSLMRQQRHVKFNS-UHFFFAOYSA-N -1 3 365.224 3.232 20 0 FGADHM Clc1cccnc1OCCNc1c(Cl)cccc1-c1nnn[n-]1 ZINC000822590728 606722978 /nfs/dbraw/zinc/72/29/78/606722978.db2.gz OACWHGIHAQPIEO-UHFFFAOYSA-N -1 3 351.197 3.059 20 0 FGADHM Clc1cccnc1OCCNc1c(Cl)cccc1-c1nn[n-]n1 ZINC000822590728 606722980 /nfs/dbraw/zinc/72/29/80/606722980.db2.gz OACWHGIHAQPIEO-UHFFFAOYSA-N -1 3 351.197 3.059 20 0 FGADHM CC[C@@H](OC1CCCCC1)C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000820938315 606724320 /nfs/dbraw/zinc/72/43/20/606724320.db2.gz IKSWZLSPERFEBR-MRXNPFEDSA-N -1 3 361.421 3.097 20 0 FGADHM CC[C@@H](OC1CCCCC1)C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000820938315 606724322 /nfs/dbraw/zinc/72/43/22/606724322.db2.gz IKSWZLSPERFEBR-MRXNPFEDSA-N -1 3 361.421 3.097 20 0 FGADHM CC[C@@H]1CCN(c2c(-c3nnn[n-]3)cnc3ccc(OC(F)F)cc32)C1 ZINC000820988886 606727291 /nfs/dbraw/zinc/72/72/91/606727291.db2.gz IPWWGHDJYKIBFR-SNVBAGLBSA-N -1 3 360.368 3.253 20 0 FGADHM CC[C@@H]1CCN(c2c(-c3nn[n-]n3)cnc3ccc(OC(F)F)cc32)C1 ZINC000820988886 606727293 /nfs/dbraw/zinc/72/72/93/606727293.db2.gz IPWWGHDJYKIBFR-SNVBAGLBSA-N -1 3 360.368 3.253 20 0 FGADHM C[C@H](CSc1ccc(F)cc1)C(=O)OCc1ccccc1-c1nnn[n-]1 ZINC000820293531 606746951 /nfs/dbraw/zinc/74/69/51/606746951.db2.gz MGDMECNGSICHHA-GFCCVEGCSA-N -1 3 372.425 3.477 20 0 FGADHM C[C@H](CSc1ccc(F)cc1)C(=O)OCc1ccccc1-c1nn[n-]n1 ZINC000820293531 606746952 /nfs/dbraw/zinc/74/69/52/606746952.db2.gz MGDMECNGSICHHA-GFCCVEGCSA-N -1 3 372.425 3.477 20 0 FGADHM C[C@H](OC1CCCCCC1)C(=O)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000820518735 606763692 /nfs/dbraw/zinc/76/36/92/606763692.db2.gz JTSWNOAEUALBAW-LBPRGKRZSA-N -1 3 362.405 3.177 20 0 FGADHM C[C@H](OC1CCCCCC1)C(=O)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000820518735 606763693 /nfs/dbraw/zinc/76/36/93/606763693.db2.gz JTSWNOAEUALBAW-LBPRGKRZSA-N -1 3 362.405 3.177 20 0 FGADHM CC[C@@H]1CC[C@H](C(=O)Oc2ccc(-c3ccc(-c4nnn[n-]4)cc3)cc2)O1 ZINC000820971572 606775445 /nfs/dbraw/zinc/77/54/45/606775445.db2.gz DFYRKWOUDJBYLM-SJLPKXTDSA-N -1 3 364.405 3.397 20 0 FGADHM CC[C@@H]1CC[C@H](C(=O)Oc2ccc(-c3ccc(-c4nn[n-]n4)cc3)cc2)O1 ZINC000820971572 606775448 /nfs/dbraw/zinc/77/54/48/606775448.db2.gz DFYRKWOUDJBYLM-SJLPKXTDSA-N -1 3 364.405 3.397 20 0 FGADHM Clc1ccc(-c2nnn[n-]2)c(OCc2nccn2Cc2ccccc2)c1 ZINC000822574191 606782901 /nfs/dbraw/zinc/78/29/01/606782901.db2.gz PUZOZIWDDZEOPZ-UHFFFAOYSA-N -1 3 366.812 3.344 20 0 FGADHM Clc1ccc(-c2nn[n-]n2)c(OCc2nccn2Cc2ccccc2)c1 ZINC000822574191 606782903 /nfs/dbraw/zinc/78/29/03/606782903.db2.gz PUZOZIWDDZEOPZ-UHFFFAOYSA-N -1 3 366.812 3.344 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)N2CC[C@@H](C)C2)cc1 ZINC000822137946 606789930 /nfs/dbraw/zinc/78/99/30/606789930.db2.gz YLFYNKQVPYUSEF-CYBMUJFWSA-N -1 3 363.421 3.449 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)N2CC[C@@H](C)C2)cc1 ZINC000822137946 606789932 /nfs/dbraw/zinc/78/99/32/606789932.db2.gz YLFYNKQVPYUSEF-CYBMUJFWSA-N -1 3 363.421 3.449 20 0 FGADHM Cc1ccc(CC(=O)OCc2ccc(-c3nnn[n-]3)cc2F)c(Cl)c1 ZINC000822234933 606797816 /nfs/dbraw/zinc/79/78/16/606797816.db2.gz MBROIYDMZOXYGE-UHFFFAOYSA-N -1 3 360.776 3.254 20 0 FGADHM Cc1ccc(CC(=O)OCc2ccc(-c3nn[n-]n3)cc2F)c(Cl)c1 ZINC000822234933 606797819 /nfs/dbraw/zinc/79/78/19/606797819.db2.gz MBROIYDMZOXYGE-UHFFFAOYSA-N -1 3 360.776 3.254 20 0 FGADHM O=C(Oc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1)[C@@H]1CCSC1 ZINC000823453995 606802205 /nfs/dbraw/zinc/80/22/05/606802205.db2.gz ICGQSICTYRZKAY-CYBMUJFWSA-N -1 3 368.418 3.318 20 0 FGADHM O=C(Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)[C@@H]1CCSC1 ZINC000823453995 606802207 /nfs/dbraw/zinc/80/22/07/606802207.db2.gz ICGQSICTYRZKAY-CYBMUJFWSA-N -1 3 368.418 3.318 20 0 FGADHM COC(=O)c1ccc(CSCc2ccc(-c3nnn[n-]3)cc2)cc1F ZINC000821669384 606849515 /nfs/dbraw/zinc/84/95/15/606849515.db2.gz JCJLBHVJFDSLBI-UHFFFAOYSA-N -1 3 358.398 3.226 20 0 FGADHM COC(=O)c1ccc(CSCc2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000821669384 606849517 /nfs/dbraw/zinc/84/95/17/606849517.db2.gz JCJLBHVJFDSLBI-UHFFFAOYSA-N -1 3 358.398 3.226 20 0 FGADHM CNC(=O)c1cccc(CSc2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000821636421 606849692 /nfs/dbraw/zinc/84/96/92/606849692.db2.gz QANOPHWBHJPSMX-UHFFFAOYSA-N -1 3 359.842 3.172 20 0 FGADHM CNC(=O)c1cccc(CSc2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000821636421 606849693 /nfs/dbraw/zinc/84/96/93/606849693.db2.gz QANOPHWBHJPSMX-UHFFFAOYSA-N -1 3 359.842 3.172 20 0 FGADHM C[C@H](Sc1ccc(-c2nnn[n-]2)cc1Cl)C(=O)N1CCCCCC1 ZINC000820550795 606850983 /nfs/dbraw/zinc/85/09/83/606850983.db2.gz YYJVGBYQERZOGI-NSHDSACASA-N -1 3 365.890 3.403 20 0 FGADHM C[C@H](Sc1ccc(-c2nn[n-]n2)cc1Cl)C(=O)N1CCCCCC1 ZINC000820550795 606850984 /nfs/dbraw/zinc/85/09/84/606850984.db2.gz YYJVGBYQERZOGI-NSHDSACASA-N -1 3 365.890 3.403 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C[C@H](C)c1ccncc1 ZINC000821099180 606857062 /nfs/dbraw/zinc/85/70/62/606857062.db2.gz ATMVSALEEZHYHT-HNNXBMFYSA-N -1 3 364.453 3.194 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C[C@H](C)c1ccncc1 ZINC000821099180 606857063 /nfs/dbraw/zinc/85/70/63/606857063.db2.gz ATMVSALEEZHYHT-HNNXBMFYSA-N -1 3 364.453 3.194 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C[C@@H](C)c1ccncc1 ZINC000821099181 606857109 /nfs/dbraw/zinc/85/71/09/606857109.db2.gz ATMVSALEEZHYHT-OAHLLOKOSA-N -1 3 364.453 3.194 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C[C@@H](C)c1ccncc1 ZINC000821099181 606857110 /nfs/dbraw/zinc/85/71/10/606857110.db2.gz ATMVSALEEZHYHT-OAHLLOKOSA-N -1 3 364.453 3.194 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cncc(-c2ccccc2)c1 ZINC000821765579 606864180 /nfs/dbraw/zinc/86/41/80/606864180.db2.gz GSPPQNCAXQWNOU-UHFFFAOYSA-N -1 3 372.388 3.190 20 0 FGADHM CCS[C@@H]1CC[C@H](N(C)C(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000821446874 606864194 /nfs/dbraw/zinc/86/41/94/606864194.db2.gz FAAHXMBICLGBFN-UHOFOFEASA-N -1 3 374.514 3.243 20 0 FGADHM CCS[C@@H]1CC[C@H](N(C)C(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821446874 606864195 /nfs/dbraw/zinc/86/41/95/606864195.db2.gz FAAHXMBICLGBFN-UHOFOFEASA-N -1 3 374.514 3.243 20 0 FGADHM CCS[C@@H]1CC[C@@H](N(C)C(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000821446872 606864298 /nfs/dbraw/zinc/86/42/98/606864298.db2.gz FAAHXMBICLGBFN-APHBMKBZSA-N -1 3 374.514 3.243 20 0 FGADHM CCS[C@@H]1CC[C@@H](N(C)C(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821446872 606864300 /nfs/dbraw/zinc/86/43/00/606864300.db2.gz FAAHXMBICLGBFN-APHBMKBZSA-N -1 3 374.514 3.243 20 0 FGADHM CC1(C)CN(Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)c2ccccc21 ZINC000820601747 606881193 /nfs/dbraw/zinc/88/11/93/606881193.db2.gz TXCDFGHEIWZFIT-UHFFFAOYSA-N -1 3 373.420 3.215 20 0 FGADHM CC1(C)CN(Cc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)c2ccccc21 ZINC000820601747 606881194 /nfs/dbraw/zinc/88/11/94/606881194.db2.gz TXCDFGHEIWZFIT-UHFFFAOYSA-N -1 3 373.420 3.215 20 0 FGADHM CCn1nc(C)c(CNc2ccc(C(F)(F)F)cc2-c2nnn[n-]2)c1C ZINC000821568397 606911657 /nfs/dbraw/zinc/91/16/57/606911657.db2.gz SFTWMGWFEWRDFO-UHFFFAOYSA-N -1 3 365.363 3.331 20 0 FGADHM CCn1nc(C)c(CNc2ccc(C(F)(F)F)cc2-c2nn[n-]n2)c1C ZINC000821568397 606911658 /nfs/dbraw/zinc/91/16/58/606911658.db2.gz SFTWMGWFEWRDFO-UHFFFAOYSA-N -1 3 365.363 3.331 20 0 FGADHM CCOc1ccc(Sc2nnc(CC)c(CC)c2-c2nnn[n-]2)cc1 ZINC000821427298 606919000 /nfs/dbraw/zinc/91/90/00/606919000.db2.gz QUQMFBKLRIQAPF-UHFFFAOYSA-N -1 3 356.455 3.331 20 0 FGADHM CCOc1ccc(Sc2nnc(CC)c(CC)c2-c2nn[n-]n2)cc1 ZINC000821427298 606919001 /nfs/dbraw/zinc/91/90/01/606919001.db2.gz QUQMFBKLRIQAPF-UHFFFAOYSA-N -1 3 356.455 3.331 20 0 FGADHM O[C@H](CCNc1ccc(C(F)(F)F)cc1-c1nnn[n-]1)c1ccccc1 ZINC000823674585 606941333 /nfs/dbraw/zinc/94/13/33/606941333.db2.gz ROWPXZYATHFCFQ-OAHLLOKOSA-N -1 3 363.343 3.421 20 0 FGADHM O[C@H](CCNc1ccc(C(F)(F)F)cc1-c1nn[n-]n1)c1ccccc1 ZINC000823674585 606941334 /nfs/dbraw/zinc/94/13/34/606941334.db2.gz ROWPXZYATHFCFQ-OAHLLOKOSA-N -1 3 363.343 3.421 20 0 FGADHM C[C@H]1CC[C@H](C(=O)OCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)O1 ZINC000820674136 606951731 /nfs/dbraw/zinc/95/17/31/606951731.db2.gz BKNJTOZHMKPILQ-SCLBCKFNSA-N -1 3 364.405 3.144 20 0 FGADHM C[C@H]1CC[C@H](C(=O)OCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)O1 ZINC000820674136 606951732 /nfs/dbraw/zinc/95/17/32/606951732.db2.gz BKNJTOZHMKPILQ-SCLBCKFNSA-N -1 3 364.405 3.144 20 0 FGADHM CCCCS[C@H](C)C(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821077916 606959260 /nfs/dbraw/zinc/95/92/60/606959260.db2.gz WWUMWAJUICJKMM-SNVBAGLBSA-N -1 3 353.879 3.405 20 0 FGADHM CCCCS[C@H](C)C(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821077916 606959262 /nfs/dbraw/zinc/95/92/62/606959262.db2.gz WWUMWAJUICJKMM-SNVBAGLBSA-N -1 3 353.879 3.405 20 0 FGADHM COc1ccc(C(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)c(C)c1 ZINC000821769479 606961686 /nfs/dbraw/zinc/96/16/86/606961686.db2.gz HYEOBYSHCZXWKV-UHFFFAOYSA-N -1 3 357.801 3.114 20 0 FGADHM COc1ccc(C(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)c(C)c1 ZINC000821769479 606961687 /nfs/dbraw/zinc/96/16/87/606961687.db2.gz HYEOBYSHCZXWKV-UHFFFAOYSA-N -1 3 357.801 3.114 20 0 FGADHM CN(C(=O)[C@H]1C[C@@H]1c1ccc(F)cc1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821569168 606964124 /nfs/dbraw/zinc/96/41/24/606964124.db2.gz AYCICDLGWRIMHV-CABCVRRESA-N -1 3 371.803 3.426 20 0 FGADHM CN(C(=O)[C@H]1C[C@@H]1c1ccc(F)cc1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821569168 606964125 /nfs/dbraw/zinc/96/41/25/606964125.db2.gz AYCICDLGWRIMHV-CABCVRRESA-N -1 3 371.803 3.426 20 0 FGADHM CN(C(=O)[C@H]1C[C@H]1c1ccc(F)cc1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821569169 606964190 /nfs/dbraw/zinc/96/41/90/606964190.db2.gz AYCICDLGWRIMHV-GJZGRUSLSA-N -1 3 371.803 3.426 20 0 FGADHM CN(C(=O)[C@H]1C[C@H]1c1ccc(F)cc1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821569169 606964191 /nfs/dbraw/zinc/96/41/91/606964191.db2.gz AYCICDLGWRIMHV-GJZGRUSLSA-N -1 3 371.803 3.426 20 0 FGADHM C[C@H]1CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C[C@H](c2ccc(F)cc2)O1 ZINC000820761314 606975841 /nfs/dbraw/zinc/97/58/41/606975841.db2.gz XAERLUXBCIDEQM-KPZWWZAWSA-N -1 3 371.391 3.107 20 0 FGADHM C[C@H]1CN(Cc2ccc(F)c(-c3nn[n-]n3)c2)C[C@H](c2ccc(F)cc2)O1 ZINC000820761314 606975843 /nfs/dbraw/zinc/97/58/43/606975843.db2.gz XAERLUXBCIDEQM-KPZWWZAWSA-N -1 3 371.391 3.107 20 0 FGADHM C[C@H]1c2cc(F)cc(F)c2CCN1Cc1cc(-c2nnn[n-]2)ccc1F ZINC000820819351 606981754 /nfs/dbraw/zinc/98/17/54/606981754.db2.gz HYJPAWBRPBGSCX-JTQLQIEISA-N -1 3 359.355 3.403 20 0 FGADHM C[C@H]1c2cc(F)cc(F)c2CCN1Cc1cc(-c2nn[n-]n2)ccc1F ZINC000820819351 606981755 /nfs/dbraw/zinc/98/17/55/606981755.db2.gz HYJPAWBRPBGSCX-JTQLQIEISA-N -1 3 359.355 3.403 20 0 FGADHM CCC(=O)c1ccc(OCCCOc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000820843223 606982109 /nfs/dbraw/zinc/98/21/09/606982109.db2.gz VRMNKHBKGXCYOP-UHFFFAOYSA-N -1 3 370.384 3.446 20 0 FGADHM CCC(=O)c1ccc(OCCCOc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000820843223 606982111 /nfs/dbraw/zinc/98/21/11/606982111.db2.gz VRMNKHBKGXCYOP-UHFFFAOYSA-N -1 3 370.384 3.446 20 0 FGADHM O=C(Cc1cc2ccccc2o1)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000823074281 606997448 /nfs/dbraw/zinc/99/74/48/606997448.db2.gz OEFVVPKPYYZRIN-UHFFFAOYSA-N -1 3 352.325 3.038 20 0 FGADHM O=C(Cc1cc2ccccc2o1)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000823074281 606997449 /nfs/dbraw/zinc/99/74/49/606997449.db2.gz OEFVVPKPYYZRIN-UHFFFAOYSA-N -1 3 352.325 3.038 20 0 FGADHM Cc1cccc2c(CC(=O)OCc3ccc(F)c(-c4nnn[n-]4)c3)c[nH]c21 ZINC000822333158 607001737 /nfs/dbraw/zinc/00/17/37/607001737.db2.gz YWFKGRCEHJEQST-UHFFFAOYSA-N -1 3 365.368 3.081 20 0 FGADHM Cc1cccc2c(CC(=O)OCc3ccc(F)c(-c4nn[n-]n4)c3)c[nH]c21 ZINC000822333158 607001738 /nfs/dbraw/zinc/00/17/38/607001738.db2.gz YWFKGRCEHJEQST-UHFFFAOYSA-N -1 3 365.368 3.081 20 0 FGADHM Cc1cc(OCC(=O)N(C)c2cccc(-c3nnn[n-]3)c2)cc(C)c1Cl ZINC000822210778 607002762 /nfs/dbraw/zinc/00/27/62/607002762.db2.gz QRVVYEDCNLYMDH-UHFFFAOYSA-N -1 3 371.828 3.179 20 0 FGADHM Cc1cc(OCC(=O)N(C)c2cccc(-c3nn[n-]n3)c2)cc(C)c1Cl ZINC000822210778 607002764 /nfs/dbraw/zinc/00/27/64/607002764.db2.gz QRVVYEDCNLYMDH-UHFFFAOYSA-N -1 3 371.828 3.179 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000823422589 607002840 /nfs/dbraw/zinc/00/28/40/607002840.db2.gz XLFMWEGWKJOAAX-NWDGAFQWSA-N -1 3 374.322 3.131 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000823422589 607002841 /nfs/dbraw/zinc/00/28/41/607002841.db2.gz XLFMWEGWKJOAAX-NWDGAFQWSA-N -1 3 374.322 3.131 20 0 FGADHM Fc1ccc(-c2nnc(SCc3ccc(F)c(-c4nnn[n-]4)c3)o2)cc1 ZINC000822753960 607005340 /nfs/dbraw/zinc/00/53/40/607005340.db2.gz UBJLLUDXXTVZPL-UHFFFAOYSA-N -1 3 372.360 3.487 20 0 FGADHM Fc1ccc(-c2nnc(SCc3ccc(F)c(-c4nn[n-]n4)c3)o2)cc1 ZINC000822753960 607005342 /nfs/dbraw/zinc/00/53/42/607005342.db2.gz UBJLLUDXXTVZPL-UHFFFAOYSA-N -1 3 372.360 3.487 20 0 FGADHM O=C1[C@@H](Sc2cccc(-c3nnn[n-]3)c2)CCN1c1cccc(Cl)c1 ZINC000823513123 607016161 /nfs/dbraw/zinc/01/61/61/607016161.db2.gz SXSSLHIBUZBRRQ-HNNXBMFYSA-N -1 3 371.853 3.418 20 0 FGADHM O=C1[C@@H](Sc2cccc(-c3nn[n-]n3)c2)CCN1c1cccc(Cl)c1 ZINC000823513123 607016162 /nfs/dbraw/zinc/01/61/62/607016162.db2.gz SXSSLHIBUZBRRQ-HNNXBMFYSA-N -1 3 371.853 3.418 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)c1[nH]c2ccc(C)cc2c1C ZINC000821765755 607017587 /nfs/dbraw/zinc/01/75/87/607017587.db2.gz JMJJZJBXSSRXKG-UHFFFAOYSA-N -1 3 362.393 3.226 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)c1[nH]c2ccc(C)cc2c1C ZINC000821765755 607017589 /nfs/dbraw/zinc/01/75/89/607017589.db2.gz JMJJZJBXSSRXKG-UHFFFAOYSA-N -1 3 362.393 3.226 20 0 FGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C[C@@H](C)c1ccncc1 ZINC000820219922 607018379 /nfs/dbraw/zinc/01/83/79/607018379.db2.gz LKDMJAXQNIHKOX-OAHLLOKOSA-N -1 3 364.453 3.193 20 0 FGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C[C@@H](C)c1ccncc1 ZINC000820219922 607018381 /nfs/dbraw/zinc/01/83/81/607018381.db2.gz LKDMJAXQNIHKOX-OAHLLOKOSA-N -1 3 364.453 3.193 20 0 FGADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)c1ccc(-c2ccco2)s1 ZINC000823241831 607025329 /nfs/dbraw/zinc/02/53/29/607025329.db2.gz HEKSILQDKITEPB-UHFFFAOYSA-N -1 3 369.381 3.257 20 0 FGADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)c1ccc(-c2ccco2)s1 ZINC000823241831 607025330 /nfs/dbraw/zinc/02/53/30/607025330.db2.gz HEKSILQDKITEPB-UHFFFAOYSA-N -1 3 369.381 3.257 20 0 FGADHM COc1cccc([C@H]2CN(c3ccc(-c4nnn[n-]4)c(Cl)c3)CCO2)c1 ZINC000821863491 607040183 /nfs/dbraw/zinc/04/01/83/607040183.db2.gz LWWKEEWTYVRXRH-QGZVFWFLSA-N -1 3 371.828 3.107 20 0 FGADHM COc1cccc([C@H]2CN(c3ccc(-c4nn[n-]n4)c(Cl)c3)CCO2)c1 ZINC000821863491 607040184 /nfs/dbraw/zinc/04/01/84/607040184.db2.gz LWWKEEWTYVRXRH-QGZVFWFLSA-N -1 3 371.828 3.107 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cccc2cnccc21 ZINC000821122958 607041058 /nfs/dbraw/zinc/04/10/58/607041058.db2.gz DJYCYLFIORSJAE-UHFFFAOYSA-N -1 3 373.420 3.489 20 0 FGADHM C[C@H](NC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1)C1CCCCC1 ZINC000820314854 607043958 /nfs/dbraw/zinc/04/39/58/607043958.db2.gz LBCJYJDXWYTVMP-ZDUSSCGKSA-N -1 3 357.458 3.109 20 0 FGADHM C[C@H](NC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1)C1CCCCC1 ZINC000820314854 607043959 /nfs/dbraw/zinc/04/39/59/607043959.db2.gz LBCJYJDXWYTVMP-ZDUSSCGKSA-N -1 3 357.458 3.109 20 0 FGADHM CC(C)CO[C@H]1CCN(c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C1 ZINC000820097289 607044429 /nfs/dbraw/zinc/04/44/29/607044429.db2.gz MCJXLLGEOICJHO-LBPRGKRZSA-N -1 3 355.364 3.137 20 0 FGADHM CC(C)CO[C@H]1CCN(c2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C1 ZINC000820097289 607044431 /nfs/dbraw/zinc/04/44/31/607044431.db2.gz MCJXLLGEOICJHO-LBPRGKRZSA-N -1 3 355.364 3.137 20 0 FGADHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000819997339 607046105 /nfs/dbraw/zinc/04/61/05/607046105.db2.gz UDVXBENCFCJFJJ-FVQBIDKESA-N -1 3 369.469 3.109 20 0 FGADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000819997339 607046106 /nfs/dbraw/zinc/04/61/06/607046106.db2.gz UDVXBENCFCJFJJ-FVQBIDKESA-N -1 3 369.469 3.109 20 0 FGADHM Cc1cccc(C)c1CNC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000822294156 607048991 /nfs/dbraw/zinc/04/89/91/607048991.db2.gz SPMQSASIGOPHKY-UHFFFAOYSA-N -1 3 367.478 3.033 20 0 FGADHM Cc1cccc(C)c1CNC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000822294156 607048993 /nfs/dbraw/zinc/04/89/93/607048993.db2.gz SPMQSASIGOPHKY-UHFFFAOYSA-N -1 3 367.478 3.033 20 0 FGADHM Cc1ccc(OC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000822258681 607080047 /nfs/dbraw/zinc/08/00/47/607080047.db2.gz AFNDYGQCCRINPN-UHFFFAOYSA-N -1 3 352.394 3.247 20 0 FGADHM Cc1ccc(OC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000822258681 607080049 /nfs/dbraw/zinc/08/00/49/607080049.db2.gz AFNDYGQCCRINPN-UHFFFAOYSA-N -1 3 352.394 3.247 20 0 FGADHM C[C@@H](OC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1)c1cccs1 ZINC000820481522 607083003 /nfs/dbraw/zinc/08/30/03/607083003.db2.gz WYDYGOJFBRHUTN-LLVKDONJSA-N -1 3 358.423 3.390 20 0 FGADHM C[C@@H](OC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1)c1cccs1 ZINC000820481522 607083004 /nfs/dbraw/zinc/08/30/04/607083004.db2.gz WYDYGOJFBRHUTN-LLVKDONJSA-N -1 3 358.423 3.390 20 0 FGADHM O=C(/C=C\SCc1ccco1)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000822923352 607113915 /nfs/dbraw/zinc/11/39/15/607113915.db2.gz QIZVFTUFTNEGTD-ALCCZGGFSA-N -1 3 360.370 3.089 20 0 FGADHM O=C(/C=C\SCc1ccco1)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000822923352 607113916 /nfs/dbraw/zinc/11/39/16/607113916.db2.gz QIZVFTUFTNEGTD-ALCCZGGFSA-N -1 3 360.370 3.089 20 0 FGADHM O=C(Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1)[C@H]1CC12CCC2 ZINC000823355873 607120341 /nfs/dbraw/zinc/12/03/41/607120341.db2.gz FGKDMLPIVHORNQ-OAHLLOKOSA-N -1 3 362.393 3.183 20 0 FGADHM O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1)[C@H]1CC12CCC2 ZINC000823355873 607120342 /nfs/dbraw/zinc/12/03/42/607120342.db2.gz FGKDMLPIVHORNQ-OAHLLOKOSA-N -1 3 362.393 3.183 20 0 FGADHM C[C@H]1CN(Cc2cc(F)ccc2-c2nnn[n-]2)C[C@H](c2ccsc2)O1 ZINC000820758800 607122785 /nfs/dbraw/zinc/12/27/85/607122785.db2.gz DEEJNNPBIITMEG-MEDUHNTESA-N -1 3 359.430 3.029 20 0 FGADHM C[C@H]1CN(Cc2cc(F)ccc2-c2nn[n-]n2)C[C@H](c2ccsc2)O1 ZINC000820758800 607122787 /nfs/dbraw/zinc/12/27/87/607122787.db2.gz DEEJNNPBIITMEG-MEDUHNTESA-N -1 3 359.430 3.029 20 0 FGADHM Fc1ccc(-c2nnn[n-]2)cc1CNc1ccn(-c2ccccc2Cl)n1 ZINC000822761403 607126719 /nfs/dbraw/zinc/12/67/19/607126719.db2.gz LJOCZVPQKHXQGL-UHFFFAOYSA-N -1 3 369.791 3.457 20 0 FGADHM Fc1ccc(-c2nn[n-]n2)cc1CNc1ccn(-c2ccccc2Cl)n1 ZINC000822761403 607126721 /nfs/dbraw/zinc/12/67/21/607126721.db2.gz LJOCZVPQKHXQGL-UHFFFAOYSA-N -1 3 369.791 3.457 20 0 FGADHM CC(C)c1ccc(NC(=O)COc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000820192001 607134227 /nfs/dbraw/zinc/13/42/27/607134227.db2.gz DMNWZWWZRKBSBV-UHFFFAOYSA-N -1 3 355.373 3.147 20 0 FGADHM CC(C)c1ccc(NC(=O)COc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000820192001 607134228 /nfs/dbraw/zinc/13/42/28/607134228.db2.gz DMNWZWWZRKBSBV-UHFFFAOYSA-N -1 3 355.373 3.147 20 0 FGADHM S=C(Nc1ccccc1-c1nnn[n-]1)NC1(Cc2ccccc2)CCC1 ZINC000823733095 607151493 /nfs/dbraw/zinc/15/14/93/607151493.db2.gz TUZANHXHWWSDOJ-UHFFFAOYSA-N -1 3 364.478 3.319 20 0 FGADHM S=C(Nc1ccccc1-c1nn[n-]n1)NC1(Cc2ccccc2)CCC1 ZINC000823733095 607151494 /nfs/dbraw/zinc/15/14/94/607151494.db2.gz TUZANHXHWWSDOJ-UHFFFAOYSA-N -1 3 364.478 3.319 20 0 FGADHM C[C@@H](COc1ccccc1)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000820295163 607156656 /nfs/dbraw/zinc/15/66/56/607156656.db2.gz ZQDXTWUYSQZSHN-ZDUSSCGKSA-N -1 3 368.441 3.077 20 0 FGADHM C[C@@H](COc1ccccc1)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000820295163 607156657 /nfs/dbraw/zinc/15/66/57/607156657.db2.gz ZQDXTWUYSQZSHN-ZDUSSCGKSA-N -1 3 368.441 3.077 20 0 FGADHM CCS[C@@H](C)c1noc(COc2ccc(-c3nnn[n-]3)cc2Cl)n1 ZINC000821446621 607160792 /nfs/dbraw/zinc/16/07/92/607160792.db2.gz BITKKXQYKMCXSS-QMMMGPOBSA-N -1 3 366.834 3.296 20 0 FGADHM CCS[C@@H](C)c1noc(COc2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000821446621 607160794 /nfs/dbraw/zinc/16/07/94/607160794.db2.gz BITKKXQYKMCXSS-QMMMGPOBSA-N -1 3 366.834 3.296 20 0 FGADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)N1CCC[C@H]1CCC1CCCC1 ZINC000823074035 607162859 /nfs/dbraw/zinc/16/28/59/607162859.db2.gz JFPSTDUAXSCSLV-SFHVURJKSA-N -1 3 353.470 3.371 20 0 FGADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)N1CCC[C@H]1CCC1CCCC1 ZINC000823074035 607162860 /nfs/dbraw/zinc/16/28/60/607162860.db2.gz JFPSTDUAXSCSLV-SFHVURJKSA-N -1 3 353.470 3.371 20 0 FGADHM CCC[C@H](C)[C@@H]1CCCN1C(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000821014589 607164534 /nfs/dbraw/zinc/16/45/34/607164534.db2.gz JRSGZVZCQHWZHV-DZKIICNBSA-N -1 3 357.458 3.061 20 0 FGADHM CCC[C@H](C)[C@@H]1CCCN1C(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000821014589 607164535 /nfs/dbraw/zinc/16/45/35/607164535.db2.gz JRSGZVZCQHWZHV-DZKIICNBSA-N -1 3 357.458 3.061 20 0 FGADHM C[C@@]1(c2ccccc2)C[C@H]1NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820637482 607196302 /nfs/dbraw/zinc/19/63/02/607196302.db2.gz XTUHAFZUTOGKGJ-QAPCUYQASA-N -1 3 368.828 3.372 20 0 FGADHM C[C@@]1(c2ccccc2)C[C@H]1NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820637482 607196303 /nfs/dbraw/zinc/19/63/03/607196303.db2.gz XTUHAFZUTOGKGJ-QAPCUYQASA-N -1 3 368.828 3.372 20 0 FGADHM C[C@H]1Cc2ccccc2CN1C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820813412 607196409 /nfs/dbraw/zinc/19/64/09/607196409.db2.gz GLHDWFPLENYGAK-NSHDSACASA-N -1 3 368.828 3.499 20 0 FGADHM C[C@H]1Cc2ccccc2CN1C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820813412 607196410 /nfs/dbraw/zinc/19/64/10/607196410.db2.gz GLHDWFPLENYGAK-NSHDSACASA-N -1 3 368.828 3.499 20 0 FGADHM CC(C)n1nccc1C(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@H](C)C2 ZINC000820736223 607235408 /nfs/dbraw/zinc/23/54/08/607235408.db2.gz YDFFMHMMWWUGFZ-JTQLQIEISA-N -1 3 371.470 3.083 20 0 FGADHM CC(C)n1nccc1C(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@H](C)C2 ZINC000820736223 607235409 /nfs/dbraw/zinc/23/54/09/607235409.db2.gz YDFFMHMMWWUGFZ-JTQLQIEISA-N -1 3 371.470 3.083 20 0 FGADHM CCc1ccccc1NC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000821497754 607235442 /nfs/dbraw/zinc/23/54/42/607235442.db2.gz ZEYOJKDFJXIFSH-UHFFFAOYSA-N -1 3 351.410 3.225 20 0 FGADHM CCc1ccccc1NC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000821497754 607235443 /nfs/dbraw/zinc/23/54/43/607235443.db2.gz ZEYOJKDFJXIFSH-UHFFFAOYSA-N -1 3 351.410 3.225 20 0 FGADHM Cc1ccc(OC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)c(C)c1 ZINC000822259488 607235767 /nfs/dbraw/zinc/23/57/67/607235767.db2.gz YXIMLQWHCUZFID-UHFFFAOYSA-N -1 3 352.394 3.247 20 0 FGADHM Cc1ccc(OC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)c(C)c1 ZINC000822259488 607235768 /nfs/dbraw/zinc/23/57/68/607235768.db2.gz YXIMLQWHCUZFID-UHFFFAOYSA-N -1 3 352.394 3.247 20 0 FGADHM O=C(NOCc1ccccc1)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000823284442 607239598 /nfs/dbraw/zinc/23/95/98/607239598.db2.gz HFJPGBOZKFGDOI-UHFFFAOYSA-N -1 3 371.400 3.395 20 0 FGADHM O=C(NOCc1ccccc1)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000823284442 607239599 /nfs/dbraw/zinc/23/95/99/607239599.db2.gz HFJPGBOZKFGDOI-UHFFFAOYSA-N -1 3 371.400 3.395 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1cncc2ccccc21 ZINC000823318256 607241669 /nfs/dbraw/zinc/24/16/69/607241669.db2.gz AAEUQHNPFREKQA-UHFFFAOYSA-N -1 3 350.769 3.321 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1cncc2ccccc21 ZINC000823318256 607241670 /nfs/dbraw/zinc/24/16/70/607241670.db2.gz AAEUQHNPFREKQA-UHFFFAOYSA-N -1 3 350.769 3.321 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1ccc2ncsc2c1 ZINC000823319643 607241803 /nfs/dbraw/zinc/24/18/03/607241803.db2.gz WZEBLRGZHGUPDW-UHFFFAOYSA-N -1 3 356.798 3.382 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1ccc2ncsc2c1 ZINC000823319643 607241804 /nfs/dbraw/zinc/24/18/04/607241804.db2.gz WZEBLRGZHGUPDW-UHFFFAOYSA-N -1 3 356.798 3.382 20 0 FGADHM CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000820938187 607246748 /nfs/dbraw/zinc/24/67/48/607246748.db2.gz HHSNRNPPOPKASE-ZLDLUXBVSA-N -1 3 362.405 3.285 20 0 FGADHM CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000820938187 607246749 /nfs/dbraw/zinc/24/67/49/607246749.db2.gz HHSNRNPPOPKASE-ZLDLUXBVSA-N -1 3 362.405 3.285 20 0 FGADHM C[C@@H](CCc1ccccc1F)C(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC000824412699 607787004 /nfs/dbraw/zinc/78/70/04/607787004.db2.gz DUWHLGDDCNLMRK-ZDUSSCGKSA-N -1 3 353.401 3.238 20 0 FGADHM C[C@@H](CCc1ccccc1F)C(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC000824412699 607787005 /nfs/dbraw/zinc/78/70/05/607787005.db2.gz DUWHLGDDCNLMRK-ZDUSSCGKSA-N -1 3 353.401 3.238 20 0 FGADHM Cc1ccc2[nH]cc(CCC(=O)N(C)c3ccccc3-c3nnn[n-]3)c2c1 ZINC000826293170 607791116 /nfs/dbraw/zinc/79/11/16/607791116.db2.gz DIQJTXADCPTSRX-UHFFFAOYSA-N -1 3 360.421 3.252 20 0 FGADHM Cc1ccc2[nH]cc(CCC(=O)N(C)c3ccccc3-c3nn[n-]n3)c2c1 ZINC000826293170 607791117 /nfs/dbraw/zinc/79/11/17/607791117.db2.gz DIQJTXADCPTSRX-UHFFFAOYSA-N -1 3 360.421 3.252 20 0 FGADHM CC1(CC(=O)Nc2ccnn2-c2ccc(-c3nn[n-]n3)cc2)CCCCC1 ZINC000824818577 607795367 /nfs/dbraw/zinc/79/53/67/607795367.db2.gz UIMOTCSTDMKOLG-UHFFFAOYSA-N -1 3 365.441 3.351 20 0 FGADHM CCN(C(=O)c1ccc(COC(C)C)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825380569 607799349 /nfs/dbraw/zinc/79/93/49/607799349.db2.gz RIAAJWQEMVLYNP-UHFFFAOYSA-N -1 3 365.437 3.458 20 0 FGADHM CCN(C(=O)c1ccc(COC(C)C)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825380569 607799350 /nfs/dbraw/zinc/79/93/50/607799350.db2.gz RIAAJWQEMVLYNP-UHFFFAOYSA-N -1 3 365.437 3.458 20 0 FGADHM Clc1ccc(-c2nnn[n-]2)c(N2CCO[C@]3(CCc4ccccc43)C2)c1 ZINC000826351748 607811234 /nfs/dbraw/zinc/81/12/34/607811234.db2.gz YUORFXQFSUSQST-LJQANCHMSA-N -1 3 367.840 3.198 20 0 FGADHM Clc1ccc(-c2nn[n-]n2)c(N2CCO[C@]3(CCc4ccccc43)C2)c1 ZINC000826351748 607811235 /nfs/dbraw/zinc/81/12/35/607811235.db2.gz YUORFXQFSUSQST-LJQANCHMSA-N -1 3 367.840 3.198 20 0 FGADHM FC(F)(F)c1ccc(N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c(-c2nnn[n-]2)c1 ZINC000826368819 607821986 /nfs/dbraw/zinc/82/19/86/607821986.db2.gz CDVFVJPFFCULFV-GDLCADMTSA-N -1 3 365.359 3.255 20 0 FGADHM FC(F)(F)c1ccc(N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c(-c2nn[n-]n2)c1 ZINC000826368819 607821987 /nfs/dbraw/zinc/82/19/87/607821987.db2.gz CDVFVJPFFCULFV-GDLCADMTSA-N -1 3 365.359 3.255 20 0 FGADHM CC(C)(C)SCCCC(=O)OCCOc1cccc(-c2nnn[n-]2)c1 ZINC000824123919 607826232 /nfs/dbraw/zinc/82/62/32/607826232.db2.gz MVEUARKXKWSZDP-UHFFFAOYSA-N -1 3 364.471 3.101 20 0 FGADHM CC(C)(C)SCCCC(=O)OCCOc1cccc(-c2nn[n-]n2)c1 ZINC000824123919 607826233 /nfs/dbraw/zinc/82/62/33/607826233.db2.gz MVEUARKXKWSZDP-UHFFFAOYSA-N -1 3 364.471 3.101 20 0 FGADHM Cc1noc(C)c1[C@H](C)CC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000826338203 607827801 /nfs/dbraw/zinc/82/78/01/607827801.db2.gz NTISZALGEAVGRB-SNVBAGLBSA-N -1 3 371.445 3.160 20 0 FGADHM Cc1noc(C)c1[C@H](C)CC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000826338203 607827802 /nfs/dbraw/zinc/82/78/02/607827802.db2.gz NTISZALGEAVGRB-SNVBAGLBSA-N -1 3 371.445 3.160 20 0 FGADHM O[C@@H](CSc1ccc(-c2nnn[n-]2)cc1Cl)c1ccccc1F ZINC000826504696 607843234 /nfs/dbraw/zinc/84/32/34/607843234.db2.gz BJFTWBUFUMBHNI-ZDUSSCGKSA-N -1 3 350.806 3.485 20 0 FGADHM O[C@@H](CSc1ccc(-c2nn[n-]n2)cc1Cl)c1ccccc1F ZINC000826504696 607843235 /nfs/dbraw/zinc/84/32/35/607843235.db2.gz BJFTWBUFUMBHNI-ZDUSSCGKSA-N -1 3 350.806 3.485 20 0 FGADHM Cc1c(C(=O)Oc2ccc(-c3nnn[n-]3)cc2)cccc1-c1ccccn1 ZINC000826235253 607844007 /nfs/dbraw/zinc/84/40/07/607844007.db2.gz GGELNUJUDCQOBA-UHFFFAOYSA-N -1 3 357.373 3.456 20 0 FGADHM Cc1c(C(=O)Oc2ccc(-c3nn[n-]n3)cc2)cccc1-c1ccccn1 ZINC000826235253 607844008 /nfs/dbraw/zinc/84/40/08/607844008.db2.gz GGELNUJUDCQOBA-UHFFFAOYSA-N -1 3 357.373 3.456 20 0 FGADHM Cc1c(C(=O)Nc2ccccc2-c2nnn[n-]2)cccc1-c1ccccn1 ZINC000826234565 607861642 /nfs/dbraw/zinc/86/16/42/607861642.db2.gz CRFATYVPSVEQOE-UHFFFAOYSA-N -1 3 356.389 3.489 20 0 FGADHM Cc1c(C(=O)Nc2ccccc2-c2nn[n-]n2)cccc1-c1ccccn1 ZINC000826234565 607861643 /nfs/dbraw/zinc/86/16/43/607861643.db2.gz CRFATYVPSVEQOE-UHFFFAOYSA-N -1 3 356.389 3.489 20 0 FGADHM Cc1cc(Br)ccc1OC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000826256777 607863592 /nfs/dbraw/zinc/86/35/92/607863592.db2.gz ZSWBQEANWFPTKI-UHFFFAOYSA-N -1 3 373.210 3.086 20 0 FGADHM Cc1cc(Br)ccc1OC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000826256777 607863593 /nfs/dbraw/zinc/86/35/93/607863593.db2.gz ZSWBQEANWFPTKI-UHFFFAOYSA-N -1 3 373.210 3.086 20 0 FGADHM O[C@@H](COc1ccc(Cl)c(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826505446 607870036 /nfs/dbraw/zinc/87/00/36/607870036.db2.gz VVOHEGDFFIDINT-AWEZNQCLSA-N -1 3 351.193 3.286 20 0 FGADHM O[C@@H](COc1ccc(Cl)c(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826505446 607870037 /nfs/dbraw/zinc/87/00/37/607870037.db2.gz VVOHEGDFFIDINT-AWEZNQCLSA-N -1 3 351.193 3.286 20 0 FGADHM C[C@@H](OC[C@@H](O)COc1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)cc1 ZINC000824730378 607870907 /nfs/dbraw/zinc/87/09/07/607870907.db2.gz MZOIECLOBKPWQJ-MLGOLLRUSA-N -1 3 374.828 3.038 20 0 FGADHM C[C@@H](OC[C@@H](O)COc1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)cc1 ZINC000824730378 607870908 /nfs/dbraw/zinc/87/09/08/607870908.db2.gz MZOIECLOBKPWQJ-MLGOLLRUSA-N -1 3 374.828 3.038 20 0 FGADHM O[C@H](COc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1C(F)(F)F ZINC000826505410 607875440 /nfs/dbraw/zinc/87/54/40/607875440.db2.gz VCEFZSGRPDOJJT-CYBMUJFWSA-N -1 3 368.290 3.137 20 0 FGADHM O[C@H](COc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1C(F)(F)F ZINC000826505410 607875441 /nfs/dbraw/zinc/87/54/41/607875441.db2.gz VCEFZSGRPDOJJT-CYBMUJFWSA-N -1 3 368.290 3.137 20 0 FGADHM CCN(C(=O)c1ccc(COC)cc1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825379093 607879019 /nfs/dbraw/zinc/87/90/19/607879019.db2.gz AJCDFQANAMWUDV-UHFFFAOYSA-N -1 3 371.828 3.333 20 0 FGADHM CCN(C(=O)c1ccc(COC)cc1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825379093 607879020 /nfs/dbraw/zinc/87/90/20/607879020.db2.gz AJCDFQANAMWUDV-UHFFFAOYSA-N -1 3 371.828 3.333 20 0 FGADHM CC(=Cc1ccccc1Cl)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000823942794 607905030 /nfs/dbraw/zinc/90/50/30/607905030.db2.gz JMZUUPBFCGMRND-DHZHZOJOSA-N -1 3 371.803 3.379 20 0 FGADHM CC(=Cc1ccccc1Cl)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000823942794 607905031 /nfs/dbraw/zinc/90/50/31/607905031.db2.gz JMZUUPBFCGMRND-DHZHZOJOSA-N -1 3 371.803 3.379 20 0 FGADHM Cc1cc(C)cc(NC(=S)N2CCc3ccc(-c4nnn[n-]4)cc32)c1 ZINC000826264174 607930270 /nfs/dbraw/zinc/93/02/70/607930270.db2.gz FESGXMYCUJMYDF-UHFFFAOYSA-N -1 3 350.451 3.243 20 0 FGADHM Cc1cc(C)cc(NC(=S)N2CCc3ccc(-c4nn[n-]n4)cc32)c1 ZINC000826264174 607930271 /nfs/dbraw/zinc/93/02/71/607930271.db2.gz FESGXMYCUJMYDF-UHFFFAOYSA-N -1 3 350.451 3.243 20 0 FGADHM O=C(Nc1nc2ccccc2s1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826459995 607932000 /nfs/dbraw/zinc/93/20/00/607932000.db2.gz IWCOZDDLNFAGGA-UHFFFAOYSA-N -1 3 363.406 3.071 20 0 FGADHM O=C(Nc1nc2ccccc2s1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826459995 607932001 /nfs/dbraw/zinc/93/20/01/607932001.db2.gz IWCOZDDLNFAGGA-UHFFFAOYSA-N -1 3 363.406 3.071 20 0 FGADHM Cc1cc2cc(C(=O)N3CCc4ccc(-c5nnn[n-]5)cc43)oc2cc1C ZINC000826273251 607946296 /nfs/dbraw/zinc/94/62/96/607946296.db2.gz VPNKROSBHYNNHN-UHFFFAOYSA-N -1 3 359.389 3.433 20 0 FGADHM Cc1cc2cc(C(=O)N3CCc4ccc(-c5nn[n-]n5)cc43)oc2cc1C ZINC000826273251 607946297 /nfs/dbraw/zinc/94/62/97/607946297.db2.gz VPNKROSBHYNNHN-UHFFFAOYSA-N -1 3 359.389 3.433 20 0 FGADHM O=C(CCc1ccc(Cl)cc1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826408326 607954300 /nfs/dbraw/zinc/95/43/00/607954300.db2.gz AZRIPQRQBZBQDU-UHFFFAOYSA-N -1 3 353.813 3.042 20 0 FGADHM O=C(CCc1ccc(Cl)cc1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826408326 607954301 /nfs/dbraw/zinc/95/43/01/607954301.db2.gz AZRIPQRQBZBQDU-UHFFFAOYSA-N -1 3 353.813 3.042 20 0 FGADHM O=C([C@@H]1C[C@@]12CCCc1ccccc12)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826397553 607954416 /nfs/dbraw/zinc/95/44/16/607954416.db2.gz GIBWKUZLUNDHFB-PGRDOPGGSA-N -1 3 371.444 3.050 20 0 FGADHM O=C([C@@H]1C[C@@]12CCCc1ccccc12)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826397553 607954417 /nfs/dbraw/zinc/95/44/17/607954417.db2.gz GIBWKUZLUNDHFB-PGRDOPGGSA-N -1 3 371.444 3.050 20 0 FGADHM O=C(C=Cc1ccnc(Cl)c1)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000826403470 607962695 /nfs/dbraw/zinc/96/26/95/607962695.db2.gz SYXAKRWDTUFZCP-SNAWJCMRSA-N -1 3 372.841 3.117 20 0 FGADHM O=C(C=Cc1ccnc(Cl)c1)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000826403470 607962696 /nfs/dbraw/zinc/96/26/96/607962696.db2.gz SYXAKRWDTUFZCP-SNAWJCMRSA-N -1 3 372.841 3.117 20 0 FGADHM Cc1cc(NCc2ccc(-c3nnn[n-]3)cc2F)ncc1Br ZINC000826271208 607965878 /nfs/dbraw/zinc/96/58/78/607965878.db2.gz IAAPXGWDGAKIHM-UHFFFAOYSA-N -1 3 363.194 3.084 20 0 FGADHM Cc1cc(NCc2ccc(-c3nn[n-]n3)cc2F)ncc1Br ZINC000826271208 607965879 /nfs/dbraw/zinc/96/58/79/607965879.db2.gz IAAPXGWDGAKIHM-UHFFFAOYSA-N -1 3 363.194 3.084 20 0 FGADHM FC(F)Oc1cccc([C@H]2CN(c3ccc(-c4nn[n-]n4)cc3)CCO2)c1 ZINC000826370387 607969255 /nfs/dbraw/zinc/96/92/55/607969255.db2.gz PZXGJJMOCLTRQW-MRXNPFEDSA-N -1 3 373.363 3.046 20 0 FGADHM OC[C@H](Nc1ccc(-c2nn[n-]n2)cc1F)c1ccc(C(F)(F)F)cc1 ZINC000826508503 607969451 /nfs/dbraw/zinc/96/94/51/607969451.db2.gz QZKWYPFTRWSDKH-AWEZNQCLSA-N -1 3 367.306 3.170 20 0 FGADHM CCCn1c2ccc(-c3nnn[n-]3)cc2nc1-c1ccc2c(c1)OCCO2 ZINC000825351835 607975044 /nfs/dbraw/zinc/97/50/44/607975044.db2.gz JRYUSDGOWARFFR-UHFFFAOYSA-N -1 3 362.393 3.065 20 0 FGADHM CCCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1ccc2c(c1)OCCO2 ZINC000825351835 607975045 /nfs/dbraw/zinc/97/50/45/607975045.db2.gz JRYUSDGOWARFFR-UHFFFAOYSA-N -1 3 362.393 3.065 20 0 FGADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1-c1csc(-c2ccccn2)n1 ZINC000825783139 607975840 /nfs/dbraw/zinc/97/58/40/607975840.db2.gz ZRRPSYJYBCYDJX-UHFFFAOYSA-N -1 3 374.433 3.422 20 0 FGADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1csc(-c2ccccn2)n1 ZINC000825783139 607975841 /nfs/dbraw/zinc/97/58/41/607975841.db2.gz ZRRPSYJYBCYDJX-UHFFFAOYSA-N -1 3 374.433 3.422 20 0 FGADHM COc1ccc(CNc2cc(-c3ncco3)ccc2C)cc1-c1nnn[n-]1 ZINC000826203593 607977271 /nfs/dbraw/zinc/97/72/71/607977271.db2.gz WUFYAFSNLLSKHI-UHFFFAOYSA-N -1 3 362.393 3.451 20 0 FGADHM COc1ccc(CNc2cc(-c3ncco3)ccc2C)cc1-c1nn[n-]n1 ZINC000826203593 607977272 /nfs/dbraw/zinc/97/72/72/607977272.db2.gz WUFYAFSNLLSKHI-UHFFFAOYSA-N -1 3 362.393 3.451 20 0 FGADHM CC(C)(C)OC(=O)C1(NCc2cccc(-c3nnn[n-]3)c2)CCCCC1 ZINC000824094359 607986014 /nfs/dbraw/zinc/98/60/14/607986014.db2.gz RXXVGKAIFOEGGX-UHFFFAOYSA-N -1 3 357.458 3.001 20 0 FGADHM CC(C)(C)OC(=O)C1(NCc2cccc(-c3nn[n-]n3)c2)CCCCC1 ZINC000824094359 607986015 /nfs/dbraw/zinc/98/60/15/607986015.db2.gz RXXVGKAIFOEGGX-UHFFFAOYSA-N -1 3 357.458 3.001 20 0 FGADHM CC1(C)CN(C(=O)C=Cc2ccccc2-c2nnn[n-]2)Cc2ccccc21 ZINC000824807302 608003755 /nfs/dbraw/zinc/00/37/55/608003755.db2.gz IASRJYLWVMHSQU-VAWYXSNFSA-N -1 3 359.433 3.200 20 0 FGADHM CC1(C)CN(C(=O)C=Cc2ccccc2-c2nn[n-]n2)Cc2ccccc21 ZINC000824807302 608003756 /nfs/dbraw/zinc/00/37/56/608003756.db2.gz IASRJYLWVMHSQU-VAWYXSNFSA-N -1 3 359.433 3.200 20 0 FGADHM COCC[C@@H](Sc1nc(C)nc(C)c1-c1nnn[n-]1)c1ccccc1 ZINC000826155421 608014255 /nfs/dbraw/zinc/01/42/55/608014255.db2.gz PRBXRKKHFHLEGE-CQSZACIVSA-N -1 3 356.455 3.143 20 0 FGADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cccc(-c2ccoc2)c1 ZINC000825971434 608023713 /nfs/dbraw/zinc/02/37/13/608023713.db2.gz GKMSMYNHMMJBMK-UHFFFAOYSA-N -1 3 359.389 3.399 20 0 FGADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cccc(-c2ccoc2)c1 ZINC000825971434 608023714 /nfs/dbraw/zinc/02/37/14/608023714.db2.gz GKMSMYNHMMJBMK-UHFFFAOYSA-N -1 3 359.389 3.399 20 0 FGADHM CN(C(=O)c1scnc1C1CC1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000825834435 608028908 /nfs/dbraw/zinc/02/89/08/608028908.db2.gz VGGAJAMSEGSXEI-UHFFFAOYSA-N -1 3 360.830 3.131 20 0 FGADHM CN(C(=O)c1scnc1C1CC1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000825834435 608028909 /nfs/dbraw/zinc/02/89/09/608028909.db2.gz VGGAJAMSEGSXEI-UHFFFAOYSA-N -1 3 360.830 3.131 20 0 FGADHM CC(C)CN(Cc1ncc(C2CC2)o1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000824261428 608032584 /nfs/dbraw/zinc/03/25/84/608032584.db2.gz KATJFEVAWGAGRB-UHFFFAOYSA-N -1 3 352.442 3.390 20 0 FGADHM O=C(CCOc1ccc(Cl)c(F)c1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000826407819 608048099 /nfs/dbraw/zinc/04/80/99/608048099.db2.gz CDGKIMVQSFXOGD-UHFFFAOYSA-N -1 3 361.764 3.067 20 0 FGADHM O=C(CCOc1ccc(Cl)c(F)c1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000826407819 608048100 /nfs/dbraw/zinc/04/81/00/608048100.db2.gz CDGKIMVQSFXOGD-UHFFFAOYSA-N -1 3 361.764 3.067 20 0 FGADHM CCCCC[C@@H](C)CC(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000825266345 608084393 /nfs/dbraw/zinc/08/43/93/608084393.db2.gz FFMCOLZWCQKDKB-QAPCUYQASA-N -1 3 371.485 3.373 20 0 FGADHM CCCCC[C@@H](C)CC(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000825266345 608084394 /nfs/dbraw/zinc/08/43/94/608084394.db2.gz FFMCOLZWCQKDKB-QAPCUYQASA-N -1 3 371.485 3.373 20 0 FGADHM C[C@@H](C(=O)OCc1cc(F)ccc1-c1nnn[n-]1)c1c(F)cccc1F ZINC000824052390 608117320 /nfs/dbraw/zinc/11/73/20/608117320.db2.gz OAUUZWLPCKKFRO-SECBINFHSA-N -1 3 362.311 3.131 20 0 FGADHM C[C@@H](C(=O)OCc1cc(F)ccc1-c1nn[n-]n1)c1c(F)cccc1F ZINC000824052390 608117321 /nfs/dbraw/zinc/11/73/21/608117321.db2.gz OAUUZWLPCKKFRO-SECBINFHSA-N -1 3 362.311 3.131 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)[C@H](C)c1c(F)cccc1F ZINC000826183903 608117558 /nfs/dbraw/zinc/11/75/58/608117558.db2.gz DUOXNZTWIQEYRS-SNVBAGLBSA-N -1 3 374.347 3.000 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)[C@H](C)c1c(F)cccc1F ZINC000826183903 608117559 /nfs/dbraw/zinc/11/75/59/608117559.db2.gz DUOXNZTWIQEYRS-SNVBAGLBSA-N -1 3 374.347 3.000 20 0 FGADHM Cc1cc(C(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)cc(C)c1F ZINC000826258784 608120830 /nfs/dbraw/zinc/12/08/30/608120830.db2.gz WMSJOONHPRXYSC-UHFFFAOYSA-N -1 3 351.385 3.042 20 0 FGADHM Cc1cc(C(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)cc(C)c1F ZINC000826258784 608120831 /nfs/dbraw/zinc/12/08/31/608120831.db2.gz WMSJOONHPRXYSC-UHFFFAOYSA-N -1 3 351.385 3.042 20 0 FGADHM Cc1nn(C(C)(C)C)cc1C(=O)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826332871 608142982 /nfs/dbraw/zinc/14/29/82/608142982.db2.gz KZIWREGDWUWBIT-UHFFFAOYSA-N -1 3 374.832 3.137 20 0 FGADHM Cc1nn(C(C)(C)C)cc1C(=O)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826332871 608142983 /nfs/dbraw/zinc/14/29/83/608142983.db2.gz KZIWREGDWUWBIT-UHFFFAOYSA-N -1 3 374.832 3.137 20 0 FGADHM C[C@@H]1CCN(C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)CC12CCC2 ZINC000824950201 608157313 /nfs/dbraw/zinc/15/73/13/608157313.db2.gz ZWANZSKFDTXQAT-CYBMUJFWSA-N -1 3 371.489 3.467 20 0 FGADHM C[C@@H]1CCN(C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)CC12CCC2 ZINC000824950201 608157314 /nfs/dbraw/zinc/15/73/14/608157314.db2.gz ZWANZSKFDTXQAT-CYBMUJFWSA-N -1 3 371.489 3.467 20 0 FGADHM Fc1ccc(-c2nn[n-]n2)cc1CNCc1ncc(-c2ccccc2)s1 ZINC000826373527 608160635 /nfs/dbraw/zinc/16/06/35/608160635.db2.gz PPPXCLVSGUTXOH-UHFFFAOYSA-N -1 3 366.425 3.419 20 0 FGADHM Cc1cc([C@H]2CN(Cc3ccc(F)c(-c4nnn[n-]4)c3)CCO2)ccc1F ZINC000826266680 608172705 /nfs/dbraw/zinc/17/27/05/608172705.db2.gz XUBVBZHSNQHQBC-GOSISDBHSA-N -1 3 371.391 3.027 20 0 FGADHM Cc1cc([C@H]2CN(Cc3ccc(F)c(-c4nn[n-]n4)c3)CCO2)ccc1F ZINC000826266680 608172706 /nfs/dbraw/zinc/17/27/06/608172706.db2.gz XUBVBZHSNQHQBC-GOSISDBHSA-N -1 3 371.391 3.027 20 0 FGADHM CCCCS[C@@H](C)C(=O)Nc1nc2cc(-c3nnn[n-]3)ccc2n1CC ZINC000825296625 608176629 /nfs/dbraw/zinc/17/66/29/608176629.db2.gz QQPLYURFHZFTKY-NSHDSACASA-N -1 3 373.486 3.097 20 0 FGADHM CCCCS[C@@H](C)C(=O)Nc1nc2cc(-c3nn[n-]n3)ccc2n1CC ZINC000825296625 608176631 /nfs/dbraw/zinc/17/66/31/608176631.db2.gz QQPLYURFHZFTKY-NSHDSACASA-N -1 3 373.486 3.097 20 0 FGADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)c1cc2ccccc2o1 ZINC000825793337 608178771 /nfs/dbraw/zinc/17/87/71/608178771.db2.gz QXWAICQHWPQUAR-UHFFFAOYSA-N -1 3 373.376 3.235 20 0 FGADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)c1cc2ccccc2o1 ZINC000825793337 608178773 /nfs/dbraw/zinc/17/87/73/608178773.db2.gz QXWAICQHWPQUAR-UHFFFAOYSA-N -1 3 373.376 3.235 20 0 FGADHM CC[C@H](Oc1ccccc1F)C(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000825160172 608183982 /nfs/dbraw/zinc/18/39/82/608183982.db2.gz XYZBZHYFNYIWCT-LRDDRELGSA-N -1 3 370.384 3.468 20 0 FGADHM CC[C@H](Oc1ccccc1F)C(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000825160172 608183985 /nfs/dbraw/zinc/18/39/85/608183985.db2.gz XYZBZHYFNYIWCT-LRDDRELGSA-N -1 3 370.384 3.468 20 0 FGADHM C[C@H]1CCN(C(=O)CSCc2ccc(-c3nnn[n-]3)cc2)CC12CCC2 ZINC000824946711 608199836 /nfs/dbraw/zinc/19/98/36/608199836.db2.gz JYDSDHSJWUGTJT-AWEZNQCLSA-N -1 3 371.510 3.139 20 0 FGADHM C[C@H]1CCN(C(=O)CSCc2ccc(-c3nn[n-]n3)cc2)CC12CCC2 ZINC000824946711 608199838 /nfs/dbraw/zinc/19/98/38/608199838.db2.gz JYDSDHSJWUGTJT-AWEZNQCLSA-N -1 3 371.510 3.139 20 0 FGADHM CC[C@@H](C)[C@H](O)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825060007 608200320 /nfs/dbraw/zinc/20/03/20/608200320.db2.gz NFOAISKEMGVLAR-PXAZEXFGSA-N -1 3 367.409 3.005 20 0 FGADHM CC[C@@H](C)[C@H](O)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825060007 608200322 /nfs/dbraw/zinc/20/03/22/608200322.db2.gz NFOAISKEMGVLAR-PXAZEXFGSA-N -1 3 367.409 3.005 20 0 FGADHM C[C@@H]1C[C@@H](C)CN(C(=O)CSc2cccc(Cl)c2-c2nnn[n-]2)C1 ZINC000824874013 608205628 /nfs/dbraw/zinc/20/56/28/608205628.db2.gz AXMBHAUDNWPUEI-GHMZBOCLSA-N -1 3 365.890 3.117 20 0 FGADHM C[C@@H]1C[C@@H](C)CN(C(=O)CSc2cccc(Cl)c2-c2nn[n-]n2)C1 ZINC000824874013 608205629 /nfs/dbraw/zinc/20/56/29/608205629.db2.gz AXMBHAUDNWPUEI-GHMZBOCLSA-N -1 3 365.890 3.117 20 0 FGADHM Cc1cc(C)c(-c2nnn[n-]2)c(SC[C@H](O)c2ccc(Cl)cc2)n1 ZINC000826262951 608220346 /nfs/dbraw/zinc/22/03/46/608220346.db2.gz FGBNVGJVEQJZOS-ZDUSSCGKSA-N -1 3 361.858 3.358 20 0 FGADHM Cc1cc(C)c(-c2nn[n-]n2)c(SC[C@H](O)c2ccc(Cl)cc2)n1 ZINC000826262951 608220348 /nfs/dbraw/zinc/22/03/48/608220348.db2.gz FGBNVGJVEQJZOS-ZDUSSCGKSA-N -1 3 361.858 3.358 20 0 FGADHM CCCOc1ncccc1CNc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000825341408 608224888 /nfs/dbraw/zinc/22/48/88/608224888.db2.gz CHPLBKJYTSSOLJ-UHFFFAOYSA-N -1 3 361.409 3.211 20 0 FGADHM CCCOc1ncccc1CNc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000825341408 608224890 /nfs/dbraw/zinc/22/48/90/608224890.db2.gz CHPLBKJYTSSOLJ-UHFFFAOYSA-N -1 3 361.409 3.211 20 0 FGADHM c1ccc2[nH]c(CCCNc3ccc4cc(-c5nnn[n-]5)ccc4n3)nc2c1 ZINC000826522652 608225786 /nfs/dbraw/zinc/22/57/86/608225786.db2.gz JDXCYNWTVXZPHZ-UHFFFAOYSA-N -1 3 370.420 3.336 20 0 FGADHM c1ccc2[nH]c(CCCNc3ccc4cc(-c5nn[n-]n5)ccc4n3)nc2c1 ZINC000826522652 608225788 /nfs/dbraw/zinc/22/57/88/608225788.db2.gz JDXCYNWTVXZPHZ-UHFFFAOYSA-N -1 3 370.420 3.336 20 0 FGADHM c1cc2c(s1)CCO[C@H]2CNc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000826518255 608230931 /nfs/dbraw/zinc/23/09/31/608230931.db2.gz HNSGVZSDPBJHSK-HNNXBMFYSA-N -1 3 364.434 3.202 20 0 FGADHM c1cc2c(s1)CCO[C@H]2CNc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000826518255 608230933 /nfs/dbraw/zinc/23/09/33/608230933.db2.gz HNSGVZSDPBJHSK-HNNXBMFYSA-N -1 3 364.434 3.202 20 0 FGADHM COc1ccc([C@H](OC)[C@H](C)Nc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000826189780 608239089 /nfs/dbraw/zinc/23/90/89/608239089.db2.gz DXFRMXSYEZWDEL-APPDUMDISA-N -1 3 357.389 3.203 20 0 FGADHM COc1ccc([C@H](OC)[C@H](C)Nc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000826189780 608239090 /nfs/dbraw/zinc/23/90/90/608239090.db2.gz DXFRMXSYEZWDEL-APPDUMDISA-N -1 3 357.389 3.203 20 0 FGADHM CC(C)[C@@H]1C[C@@H](Nc2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)CCO1 ZINC000824216350 608242886 /nfs/dbraw/zinc/24/28/86/608242886.db2.gz QBVZZYILIGEJPQ-LRDDRELGSA-N -1 3 372.860 3.106 20 0 FGADHM CC(C)[C@@H]1C[C@@H](Nc2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)CCO1 ZINC000824216350 608242887 /nfs/dbraw/zinc/24/28/87/608242887.db2.gz QBVZZYILIGEJPQ-LRDDRELGSA-N -1 3 372.860 3.106 20 0 FGADHM CCc1cccnc1C(=O)N(CC(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825728555 608269578 /nfs/dbraw/zinc/26/95/78/608269578.db2.gz PNAAHFZQXYCJPM-UHFFFAOYSA-N -1 3 350.426 3.127 20 0 FGADHM CCc1cccnc1C(=O)N(CC(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825728555 608269580 /nfs/dbraw/zinc/26/95/80/608269580.db2.gz PNAAHFZQXYCJPM-UHFFFAOYSA-N -1 3 350.426 3.127 20 0 FGADHM CC[C@@H]1CC[C@@H](C)N1C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000825192459 608269765 /nfs/dbraw/zinc/26/97/65/608269765.db2.gz GZJRNLKZQKZVNP-TZMCWYRMSA-N -1 3 358.446 3.449 20 0 FGADHM CC[C@@H]1CC[C@@H](C)N1C(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000825192459 608269767 /nfs/dbraw/zinc/26/97/67/608269767.db2.gz GZJRNLKZQKZVNP-TZMCWYRMSA-N -1 3 358.446 3.449 20 0 FGADHM Fc1ccccc1[C@H]1CCN(c2nc3c(cc2-c2nnn[n-]2)CCCC3)C1 ZINC000826377777 608285668 /nfs/dbraw/zinc/28/56/68/608285668.db2.gz FQRHWVCLLDYWRN-AWEZNQCLSA-N -1 3 364.428 3.274 20 0 FGADHM Fc1ccccc1[C@H]1CCN(c2nc3c(cc2-c2nn[n-]n2)CCCC3)C1 ZINC000826377777 608285671 /nfs/dbraw/zinc/28/56/71/608285671.db2.gz FQRHWVCLLDYWRN-AWEZNQCLSA-N -1 3 364.428 3.274 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)c(N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2)n1 ZINC000826275972 608301862 /nfs/dbraw/zinc/30/18/62/608301862.db2.gz QBCLVUYZQHQARR-NSHDSACASA-N -1 3 373.823 3.053 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)c(N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2)n1 ZINC000826275972 608301864 /nfs/dbraw/zinc/30/18/64/608301864.db2.gz QBCLVUYZQHQARR-NSHDSACASA-N -1 3 373.823 3.053 20 0 FGADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)c1cccc([C@H]2CCCOC2)c1 ZINC000826468255 608311806 /nfs/dbraw/zinc/31/18/06/608311806.db2.gz IPDQELVYHDXAOF-HNNXBMFYSA-N -1 3 368.368 3.119 20 0 FGADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)c1cccc([C@H]2CCCOC2)c1 ZINC000826468255 608311808 /nfs/dbraw/zinc/31/18/08/608311808.db2.gz IPDQELVYHDXAOF-HNNXBMFYSA-N -1 3 368.368 3.119 20 0 FGADHM Cc1nn(-c2ccccc2)c(CN2CCC[C@H]2c2ccc[nH]2)c1-c1nnn[n-]1 ZINC000826332120 608317146 /nfs/dbraw/zinc/31/71/46/608317146.db2.gz KDLUCPLKNXSVBG-KRWDZBQOSA-N -1 3 374.452 3.026 20 0 FGADHM C(=Cc1ccncn1)c1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000823861626 608317619 /nfs/dbraw/zinc/31/76/19/608317619.db2.gz OQYMKARVSSMSDO-BQYQJAHWSA-N -1 3 356.389 3.406 20 0 FGADHM C(=Cc1ccncn1)c1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000823861626 608317621 /nfs/dbraw/zinc/31/76/21/608317621.db2.gz OQYMKARVSSMSDO-BQYQJAHWSA-N -1 3 356.389 3.406 20 0 FGADHM CCN(C(=O)C=C1CCSCC1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825367976 608346616 /nfs/dbraw/zinc/34/66/16/608346616.db2.gz YTPSPHCTMCIBQD-UHFFFAOYSA-N -1 3 363.874 3.326 20 0 FGADHM CCN(C(=O)C=C1CCSCC1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825367976 608346617 /nfs/dbraw/zinc/34/66/17/608346617.db2.gz YTPSPHCTMCIBQD-UHFFFAOYSA-N -1 3 363.874 3.326 20 0 FGADHM FC(F)(F)COCCCNc1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000826367897 608370080 /nfs/dbraw/zinc/37/00/80/608370080.db2.gz SNVKXSPXADWLNT-UHFFFAOYSA-N -1 3 369.269 3.266 20 0 FGADHM FC(F)(F)COCCCNc1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826367897 608370082 /nfs/dbraw/zinc/37/00/82/608370082.db2.gz SNVKXSPXADWLNT-UHFFFAOYSA-N -1 3 369.269 3.266 20 0 FGADHM CN(Cc1cccc(-c2nnn[n-]2)c1F)Cc1ccccc1N1CCCC1 ZINC000825981470 608385079 /nfs/dbraw/zinc/38/50/79/608385079.db2.gz SOUXNGCRBDDUAC-UHFFFAOYSA-N -1 3 366.444 3.238 20 0 FGADHM CN(Cc1cccc(-c2nn[n-]n2)c1F)Cc1ccccc1N1CCCC1 ZINC000825981470 608385081 /nfs/dbraw/zinc/38/50/81/608385081.db2.gz SOUXNGCRBDDUAC-UHFFFAOYSA-N -1 3 366.444 3.238 20 0 FGADHM Fc1c(CN[C@@H](c2ccccc2)c2ccccn2)cccc1-c1nnn[n-]1 ZINC000826371076 608403194 /nfs/dbraw/zinc/40/31/94/608403194.db2.gz RFGIUIFJJGZZQP-IBGZPJMESA-N -1 3 360.396 3.280 20 0 FGADHM Fc1c(CN[C@@H](c2ccccc2)c2ccccn2)cccc1-c1nn[n-]n1 ZINC000826371076 608403196 /nfs/dbraw/zinc/40/31/96/608403196.db2.gz RFGIUIFJJGZZQP-IBGZPJMESA-N -1 3 360.396 3.280 20 0 FGADHM Fc1c(CSCc2nc(-c3ccccc3)no2)cccc1-c1nnn[n-]1 ZINC000826371063 608404842 /nfs/dbraw/zinc/40/48/42/608404842.db2.gz QUXNSXGLLRWRQS-UHFFFAOYSA-N -1 3 368.397 3.489 20 0 FGADHM Fc1c(CSCc2nc(-c3ccccc3)no2)cccc1-c1nn[n-]n1 ZINC000826371063 608404843 /nfs/dbraw/zinc/40/48/43/608404843.db2.gz QUXNSXGLLRWRQS-UHFFFAOYSA-N -1 3 368.397 3.489 20 0 FGADHM C[C@@H](NC(=O)c1cc(F)cc2cccnc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000824514605 608413308 /nfs/dbraw/zinc/41/33/08/608413308.db2.gz PCTUZYKHZWBCHV-LLVKDONJSA-N -1 3 362.368 3.045 20 0 FGADHM C[C@@H](NC(=O)c1cc(F)cc2cccnc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000824514605 608413310 /nfs/dbraw/zinc/41/33/10/608413310.db2.gz PCTUZYKHZWBCHV-LLVKDONJSA-N -1 3 362.368 3.045 20 0 FGADHM Cc1ccc([C@@H](C)NCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)cc1 ZINC000826283669 608431313 /nfs/dbraw/zinc/43/13/13/608431313.db2.gz XDXPENRIUAQUKZ-CYBMUJFWSA-N -1 3 361.409 3.076 20 0 FGADHM Cc1ccc([C@@H](C)NCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)cc1 ZINC000826283669 608431314 /nfs/dbraw/zinc/43/13/14/608431314.db2.gz XDXPENRIUAQUKZ-CYBMUJFWSA-N -1 3 361.409 3.076 20 0 FGADHM Fc1cccc(CN2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c1F ZINC000826376738 608460546 /nfs/dbraw/zinc/46/05/46/608460546.db2.gz PQRJGJBIEBVVQS-UHFFFAOYSA-N -1 3 353.376 3.434 20 0 FGADHM Cc1ccc(C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c(F)c1 ZINC000826281941 608478891 /nfs/dbraw/zinc/47/88/91/608478891.db2.gz QEWBODWOERGACP-UHFFFAOYSA-N -1 3 363.396 3.244 20 0 FGADHM Cc1ccc(C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c(F)c1 ZINC000826281941 608478894 /nfs/dbraw/zinc/47/88/94/608478894.db2.gz QEWBODWOERGACP-UHFFFAOYSA-N -1 3 363.396 3.244 20 0 FGADHM O=C(c1ccc(Cl)cc1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826473281 608485409 /nfs/dbraw/zinc/48/54/09/608485409.db2.gz RLBZXZQQTFYMOC-UHFFFAOYSA-N -1 3 365.824 3.450 20 0 FGADHM O=C(c1ccc(Cl)cc1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826473281 608485411 /nfs/dbraw/zinc/48/54/11/608485411.db2.gz RLBZXZQQTFYMOC-UHFFFAOYSA-N -1 3 365.824 3.450 20 0 FGADHM Cc1cccc(-c2noc(CN[C@H](C)c3cccc(-c4nnn[n-]4)c3)n2)c1 ZINC000826295545 608492770 /nfs/dbraw/zinc/49/27/70/608492770.db2.gz MBONMJIJOXDVPX-CYBMUJFWSA-N -1 3 361.409 3.076 20 0 FGADHM Cc1cccc(-c2noc(CN[C@H](C)c3cccc(-c4nn[n-]n4)c3)n2)c1 ZINC000826295545 608492772 /nfs/dbraw/zinc/49/27/72/608492772.db2.gz MBONMJIJOXDVPX-CYBMUJFWSA-N -1 3 361.409 3.076 20 0 FGADHM COc1cc(C(=O)OCc2ccccc2-c2nnn[n-]2)ccc1OC(C)C ZINC000826177460 608502373 /nfs/dbraw/zinc/50/23/73/608502373.db2.gz JLFSNJNOWFAPMR-UHFFFAOYSA-N -1 3 368.393 3.020 20 0 FGADHM COc1cc(C(=O)OCc2ccccc2-c2nn[n-]n2)ccc1OC(C)C ZINC000826177460 608502375 /nfs/dbraw/zinc/50/23/75/608502375.db2.gz JLFSNJNOWFAPMR-UHFFFAOYSA-N -1 3 368.393 3.020 20 0 FGADHM CCn1c2ccccc2nc1CN(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000825788460 608519604 /nfs/dbraw/zinc/51/96/04/608519604.db2.gz RFKGMBLQZNKMQY-UHFFFAOYSA-N -1 3 373.464 3.401 20 0 FGADHM CCn1c2ccccc2nc1CN(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000825788460 608519606 /nfs/dbraw/zinc/51/96/06/608519606.db2.gz RFKGMBLQZNKMQY-UHFFFAOYSA-N -1 3 373.464 3.401 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NCc1cccc(OC(C)(C)C)n1 ZINC000825631801 608542002 /nfs/dbraw/zinc/54/20/02/608542002.db2.gz GJNIBRQXHKGUHK-UHFFFAOYSA-N -1 3 368.441 3.450 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NCc1cccc(OC(C)(C)C)n1 ZINC000825631801 608542004 /nfs/dbraw/zinc/54/20/04/608542004.db2.gz GJNIBRQXHKGUHK-UHFFFAOYSA-N -1 3 368.441 3.450 20 0 FGADHM CCCOc1ccc(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000825339318 608562535 /nfs/dbraw/zinc/56/25/35/608562535.db2.gz WJGVBWFRSDCIPV-UHFFFAOYSA-N -1 3 369.450 3.386 20 0 FGADHM CCCOc1ccc(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825339318 608562537 /nfs/dbraw/zinc/56/25/37/608562537.db2.gz WJGVBWFRSDCIPV-UHFFFAOYSA-N -1 3 369.450 3.386 20 0 FGADHM Fc1ccc([C@@H](CC(F)(F)F)NCc2ccc(-c3nn[n-]n3)o2)cc1 ZINC000826373215 608569284 /nfs/dbraw/zinc/56/92/84/608569284.db2.gz DNAVWGYDGVMXNK-GFCCVEGCSA-N -1 3 355.295 3.382 20 0 FGADHM Cc1cc(C(=O)Nc2nc3c(cc2-c2nnn[n-]2)CCCC3)sc1C ZINC000826261298 608570085 /nfs/dbraw/zinc/57/00/85/608570085.db2.gz ZNKCTLOCJLNVLS-UHFFFAOYSA-N -1 3 354.439 3.071 20 0 FGADHM Cc1cc(C(=O)Nc2nc3c(cc2-c2nn[n-]n2)CCCC3)sc1C ZINC000826261298 608570087 /nfs/dbraw/zinc/57/00/87/608570087.db2.gz ZNKCTLOCJLNVLS-UHFFFAOYSA-N -1 3 354.439 3.071 20 0 FGADHM O=C(NCCc1ccc(Cl)cc1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826439272 608574260 /nfs/dbraw/zinc/57/42/60/608574260.db2.gz MOWJNCXCHLTWPR-UHFFFAOYSA-N -1 3 362.220 3.146 20 0 FGADHM O=C(NCCc1ccc(Cl)cc1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826439272 608574262 /nfs/dbraw/zinc/57/42/62/608574262.db2.gz MOWJNCXCHLTWPR-UHFFFAOYSA-N -1 3 362.220 3.146 20 0 FGADHM Cc1cn(CCc2cc(Cl)c3c(c2)OCCCO3)cc1-c1nnn[n-]1 ZINC000826316958 608584386 /nfs/dbraw/zinc/58/43/86/608584386.db2.gz GPKJVWZUSVWUNL-UHFFFAOYSA-N -1 3 359.817 3.034 20 0 FGADHM Cc1cn(CCc2cc(Cl)c3c(c2)OCCCO3)cc1-c1nn[n-]n1 ZINC000826316958 608584388 /nfs/dbraw/zinc/58/43/88/608584388.db2.gz GPKJVWZUSVWUNL-UHFFFAOYSA-N -1 3 359.817 3.034 20 0 FGADHM Clc1ccc(CNc2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)nc1 ZINC000826352225 608585756 /nfs/dbraw/zinc/58/57/56/608585756.db2.gz SYXHMAAZAMXKIM-UHFFFAOYSA-N -1 3 372.219 3.151 20 0 FGADHM Clc1ccc(CNc2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)nc1 ZINC000826352225 608585758 /nfs/dbraw/zinc/58/57/58/608585758.db2.gz SYXHMAAZAMXKIM-UHFFFAOYSA-N -1 3 372.219 3.151 20 0 FGADHM CCc1c(C)sc(NC(=O)c2cn(C)nc2C(C)(C)C)c1-c1nnn[n-]1 ZINC000825686889 608666377 /nfs/dbraw/zinc/66/63/77/608666377.db2.gz AMXCJIGFLMYXLJ-UHFFFAOYSA-N -1 3 373.486 3.082 20 0 FGADHM CCc1c(C)sc(NC(=O)c2cn(C)nc2C(C)(C)C)c1-c1nn[n-]n1 ZINC000825686889 608666379 /nfs/dbraw/zinc/66/63/79/608666379.db2.gz AMXCJIGFLMYXLJ-UHFFFAOYSA-N -1 3 373.486 3.082 20 0 FGADHM CC[C@@H](c1ccccc1)N(CC(=O)OC)Cc1cc(-c2nnn[n-]2)cs1 ZINC000825160035 608743063 /nfs/dbraw/zinc/74/30/63/608743063.db2.gz WSOMFJJSWINBHZ-INIZCTEOSA-N -1 3 371.466 3.055 20 0 FGADHM CC[C@@H](c1ccccc1)N(CC(=O)OC)Cc1cc(-c2nn[n-]n2)cs1 ZINC000825160035 608743065 /nfs/dbraw/zinc/74/30/65/608743065.db2.gz WSOMFJJSWINBHZ-INIZCTEOSA-N -1 3 371.466 3.055 20 0 FGADHM Brc1ccccc1C1(CNc2cnccc2-c2nnn[n-]2)CC1 ZINC000823832885 608785814 /nfs/dbraw/zinc/78/58/14/608785814.db2.gz YEAIEMFYLHCYFD-UHFFFAOYSA-N -1 3 371.242 3.168 20 0 FGADHM Brc1ccccc1C1(CNc2cnccc2-c2nn[n-]n2)CC1 ZINC000823832885 608785816 /nfs/dbraw/zinc/78/58/16/608785816.db2.gz YEAIEMFYLHCYFD-UHFFFAOYSA-N -1 3 371.242 3.168 20 0 FGADHM C[C@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000825012839 608825617 /nfs/dbraw/zinc/82/56/17/608825617.db2.gz MHESEXPMTRDKNO-STQMWFEESA-N -1 3 365.412 3.083 20 0 FGADHM C[C@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000825012839 608825619 /nfs/dbraw/zinc/82/56/19/608825619.db2.gz MHESEXPMTRDKNO-STQMWFEESA-N -1 3 365.412 3.083 20 0 FGADHM CCc1ccc([C@H](COC)N[C@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)o1 ZINC000825704054 609146815 /nfs/dbraw/zinc/14/68/15/609146815.db2.gz BWHDANWCJDCURG-BZNIZROVSA-N -1 3 359.405 3.200 20 0 FGADHM CCc1ccc([C@H](COC)N[C@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)o1 ZINC000825704054 609146817 /nfs/dbraw/zinc/14/68/17/609146817.db2.gz BWHDANWCJDCURG-BZNIZROVSA-N -1 3 359.405 3.200 20 0 FGADHM Cc1ccc2c(c1)CCN2Cc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC000826294002 609173874 /nfs/dbraw/zinc/17/38/74/609173874.db2.gz GPOSWAPHXZZBCP-UHFFFAOYSA-N -1 3 371.448 3.138 20 0 FGADHM Cc1ccc2c(c1)CCN2Cc1cn(C)nc1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826294002 609173875 /nfs/dbraw/zinc/17/38/75/609173875.db2.gz GPOSWAPHXZZBCP-UHFFFAOYSA-N -1 3 371.448 3.138 20 0 FGADHM COCCOc1ccc(N[C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)cc1 ZINC000826162781 609175984 /nfs/dbraw/zinc/17/59/84/609175984.db2.gz RRLPGSNMBNIQPB-LJQANCHMSA-N -1 3 365.437 3.381 20 0 FGADHM COCCOc1ccc(N[C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)cc1 ZINC000826162781 609175985 /nfs/dbraw/zinc/17/59/85/609175985.db2.gz RRLPGSNMBNIQPB-LJQANCHMSA-N -1 3 365.437 3.381 20 0 FGADHM CCCCCN(CCCOC)C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825271038 609179986 /nfs/dbraw/zinc/17/99/86/609179986.db2.gz FVRNAXDCFKWCIH-HNNXBMFYSA-N -1 3 374.489 3.166 20 0 FGADHM CCCCCN(CCCOC)C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825271038 609179987 /nfs/dbraw/zinc/17/99/87/609179987.db2.gz FVRNAXDCFKWCIH-HNNXBMFYSA-N -1 3 374.489 3.166 20 0 FGADHM C[C@@H](Nc1cccc(N2CCOCC2)c1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824663014 609180194 /nfs/dbraw/zinc/18/01/94/609180194.db2.gz UNSUOPARJBIZQM-CYBMUJFWSA-N -1 3 368.416 3.016 20 0 FGADHM C[C@@H](Nc1cccc(N2CCOCC2)c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824663014 609180196 /nfs/dbraw/zinc/18/01/96/609180196.db2.gz UNSUOPARJBIZQM-CYBMUJFWSA-N -1 3 368.416 3.016 20 0 FGADHM CCC(CC)(CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1ccc(Cl)cc1 ZINC000825089444 609206631 /nfs/dbraw/zinc/20/66/31/609206631.db2.gz FZMZINQLDPFNLC-UHFFFAOYSA-N -1 3 372.860 3.336 20 0 FGADHM CCC(CC)(CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccc(Cl)cc1 ZINC000825089444 609206632 /nfs/dbraw/zinc/20/66/32/609206632.db2.gz FZMZINQLDPFNLC-UHFFFAOYSA-N -1 3 372.860 3.336 20 0 FGADHM O=C(N[C@H](CC1CCCC1)c1ccccc1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826426826 609228689 /nfs/dbraw/zinc/22/86/89/609228689.db2.gz XEZSJQJVEAVERY-MRXNPFEDSA-N -1 3 350.426 3.246 20 0 FGADHM O=C(N[C@H](CC1CCCC1)c1ccccc1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826426826 609228691 /nfs/dbraw/zinc/22/86/91/609228691.db2.gz XEZSJQJVEAVERY-MRXNPFEDSA-N -1 3 350.426 3.246 20 0 FGADHM CC1(C)CC[C@H]2C[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)c3cccc1c32 ZINC000824803799 609232395 /nfs/dbraw/zinc/23/23/95/609232395.db2.gz XJORRFJUZRBVQK-NHYWBVRUSA-N -1 3 362.437 3.225 20 0 FGADHM CC1(C)CC[C@H]2C[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)c3cccc1c32 ZINC000824803799 609232396 /nfs/dbraw/zinc/23/23/96/609232396.db2.gz XJORRFJUZRBVQK-NHYWBVRUSA-N -1 3 362.437 3.225 20 0 FGADHM C[C@@H](Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1)c1ccsc1 ZINC000824657562 609241552 /nfs/dbraw/zinc/24/15/52/609241552.db2.gz RGVGETNXMIBUDJ-GFCCVEGCSA-N -1 3 370.482 3.062 20 0 FGADHM C[C@@H](Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1)c1ccsc1 ZINC000824657562 609241553 /nfs/dbraw/zinc/24/15/53/609241553.db2.gz RGVGETNXMIBUDJ-GFCCVEGCSA-N -1 3 370.482 3.062 20 0 FGADHM Cc1cc(NC(=O)c2cccc(-c3nnn[n-]3)c2)nn1-c1cc(C)cc(C)c1 ZINC000826264422 609246292 /nfs/dbraw/zinc/24/62/92/609246292.db2.gz NYYCZPDKUYQIGF-UHFFFAOYSA-N -1 3 373.420 3.230 20 0 FGADHM Cc1cc(NC(=O)c2cccc(-c3nn[n-]n3)c2)nn1-c1cc(C)cc(C)c1 ZINC000826264422 609246294 /nfs/dbraw/zinc/24/62/94/609246294.db2.gz NYYCZPDKUYQIGF-UHFFFAOYSA-N -1 3 373.420 3.230 20 0 FGADHM CC(C)Sc1ccccc1NC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824337748 609247045 /nfs/dbraw/zinc/24/70/45/609247045.db2.gz FONGLOUSBXCCFV-INIZCTEOSA-N -1 3 369.450 3.039 20 0 FGADHM CC(C)Sc1ccccc1NC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824337748 609247047 /nfs/dbraw/zinc/24/70/47/609247047.db2.gz FONGLOUSBXCCFV-INIZCTEOSA-N -1 3 369.450 3.039 20 0 FGADHM Fc1cccc(F)c1CNc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000826377622 609279155 /nfs/dbraw/zinc/27/91/55/609279155.db2.gz ZGMSWECNPSSXCY-UHFFFAOYSA-N -1 3 371.326 3.082 20 0 FGADHM O=C(OCc1cccc(SC(F)(F)F)c1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000826466935 609294798 /nfs/dbraw/zinc/29/47/98/609294798.db2.gz ZRQHKOHLYXOXLO-UHFFFAOYSA-N -1 3 369.328 3.164 20 0 FGADHM O=C(OCc1cccc(SC(F)(F)F)c1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000826466935 609294799 /nfs/dbraw/zinc/29/47/99/609294799.db2.gz ZRQHKOHLYXOXLO-UHFFFAOYSA-N -1 3 369.328 3.164 20 0 FGADHM Cc1nc2cc(NCc3cnc4ccc(-c5nnn[n-]5)cn34)ccc2s1 ZINC000826328779 609322674 /nfs/dbraw/zinc/32/26/74/609322674.db2.gz CPAACLIHWUURFC-UHFFFAOYSA-N -1 3 362.422 3.045 20 0 FGADHM Cc1nc2cc(NCc3cnc4ccc(-c5nn[n-]n5)cn34)ccc2s1 ZINC000826328779 609322676 /nfs/dbraw/zinc/32/26/76/609322676.db2.gz CPAACLIHWUURFC-UHFFFAOYSA-N -1 3 362.422 3.045 20 0 FGADHM CC[C@H](C)n1nc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2C)cc1C ZINC000825080870 609331853 /nfs/dbraw/zinc/33/18/53/609331853.db2.gz CKLPKFIFNKDOBH-LBPRGKRZSA-N -1 3 354.414 3.008 20 0 FGADHM CC[C@H](C)n1nc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2C)cc1C ZINC000825080870 609331855 /nfs/dbraw/zinc/33/18/55/609331855.db2.gz CKLPKFIFNKDOBH-LBPRGKRZSA-N -1 3 354.414 3.008 20 0 FGADHM C[C@H](NCc1ccc(OCC2CC2)nc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824617119 609332097 /nfs/dbraw/zinc/33/20/97/609332097.db2.gz DLKSKBMVWNOYDQ-LBPRGKRZSA-N -1 3 368.416 3.040 20 0 FGADHM CC(C)[C@@H](N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1F)c1nc(C2CC2)no1 ZINC000824538333 609340814 /nfs/dbraw/zinc/34/08/14/609340814.db2.gz IAOHUAURWXXEHR-ZUZCIYMTSA-N -1 3 371.420 3.314 20 0 FGADHM CC(C)[C@@H](N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1F)c1nc(C2CC2)no1 ZINC000824538333 609340816 /nfs/dbraw/zinc/34/08/16/609340816.db2.gz IAOHUAURWXXEHR-ZUZCIYMTSA-N -1 3 371.420 3.314 20 0 FGADHM C[C@@H](C(=O)OCc1ccc(-c2nnn[n-]2)cc1Br)C(C)(C)C ZINC000824052377 609345901 /nfs/dbraw/zinc/34/59/01/609345901.db2.gz NWAXWXMWWBWALF-VIFPVBQESA-N -1 3 367.247 3.355 20 0 FGADHM C[C@@H](C(=O)OCc1ccc(-c2nn[n-]n2)cc1Br)C(C)(C)C ZINC000824052377 609345903 /nfs/dbraw/zinc/34/59/03/609345903.db2.gz NWAXWXMWWBWALF-VIFPVBQESA-N -1 3 367.247 3.355 20 0 FGADHM C[C@@H](NCc1ccc(OC(C)(C)C)nc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824619369 609348699 /nfs/dbraw/zinc/34/86/99/609348699.db2.gz XFFGTMWOEQVIFR-GFCCVEGCSA-N -1 3 370.432 3.429 20 0 FGADHM CC1(C)CC[C@H](C(=O)NCCSCc2ccccc2-c2nnn[n-]2)C1 ZINC000824796829 609372886 /nfs/dbraw/zinc/37/28/86/609372886.db2.gz SOQLHEZBRKPSCN-ZDUSSCGKSA-N -1 3 359.499 3.042 20 0 FGADHM CC1(C)CC[C@H](C(=O)NCCSCc2ccccc2-c2nn[n-]n2)C1 ZINC000824796829 609372889 /nfs/dbraw/zinc/37/28/89/609372889.db2.gz SOQLHEZBRKPSCN-ZDUSSCGKSA-N -1 3 359.499 3.042 20 0 FGADHM CC1(C)CC[C@H](C(=O)N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC000824796918 609379873 /nfs/dbraw/zinc/37/98/73/609379873.db2.gz UTWDVTSFRNHPQK-HNNXBMFYSA-N -1 3 369.469 3.063 20 0 FGADHM CC1(C)CC[C@@H](C(=O)N2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)C1 ZINC000824796826 609380207 /nfs/dbraw/zinc/38/02/07/609380207.db2.gz SNOJDXNPIXVVON-OAHLLOKOSA-N -1 3 369.469 3.063 20 0 FGADHM CC1(C)CC[C@@H](C(=O)N2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)C1 ZINC000824796826 609380210 /nfs/dbraw/zinc/38/02/10/609380210.db2.gz SNOJDXNPIXVVON-OAHLLOKOSA-N -1 3 369.469 3.063 20 0 FGADHM CC(C)[C@H]1C[C@@H](CC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)CCO1 ZINC000824213900 609393711 /nfs/dbraw/zinc/39/37/11/609393711.db2.gz DGLQJYXPMSDMDW-XHDPSFHLSA-N -1 3 363.849 3.300 20 0 FGADHM CC(C)[C@H]1C[C@@H](CC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)CCO1 ZINC000824213900 609393712 /nfs/dbraw/zinc/39/37/12/609393712.db2.gz DGLQJYXPMSDMDW-XHDPSFHLSA-N -1 3 363.849 3.300 20 0 FGADHM CC(C)(C)Sc1cc(C(=O)NCc2cccc(-c3nnn[n-]3)c2)ccn1 ZINC000824123232 609424037 /nfs/dbraw/zinc/42/40/37/609424037.db2.gz ANJFHIGTFXADDG-UHFFFAOYSA-N -1 3 368.466 3.082 20 0 FGADHM CC(C)(C)Sc1cc(C(=O)NCc2cccc(-c3nn[n-]n3)c2)ccn1 ZINC000824123232 609424039 /nfs/dbraw/zinc/42/40/39/609424039.db2.gz ANJFHIGTFXADDG-UHFFFAOYSA-N -1 3 368.466 3.082 20 0 FGADHM O=C(Nc1cc(Cl)ccc1N1CCCCC1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826451838 609424327 /nfs/dbraw/zinc/42/43/27/609424327.db2.gz YJYVBNZDPGFFDF-UHFFFAOYSA-N -1 3 371.832 3.091 20 0 FGADHM O=C(Nc1cc(Cl)ccc1N1CCCCC1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826451838 609424329 /nfs/dbraw/zinc/42/43/29/609424329.db2.gz YJYVBNZDPGFFDF-UHFFFAOYSA-N -1 3 371.832 3.091 20 0 FGADHM CCC(CC)(CC)CNc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1 ZINC000825090084 609439699 /nfs/dbraw/zinc/43/96/99/609439699.db2.gz SLONLMCCSOAJFU-UHFFFAOYSA-N -1 3 372.517 3.456 20 0 FGADHM CCC(CC)(CC)CNc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1 ZINC000825090084 609439701 /nfs/dbraw/zinc/43/97/01/609439701.db2.gz SLONLMCCSOAJFU-UHFFFAOYSA-N -1 3 372.517 3.456 20 0 FGADHM Cc1cc(Cl)ccc1O[C@H](C)C(=O)OCc1ccccc1-c1nnn[n-]1 ZINC000826267596 609450482 /nfs/dbraw/zinc/45/04/82/609450482.db2.gz MIQOODIQKKOZPJ-GFCCVEGCSA-N -1 3 372.812 3.339 20 0 FGADHM Cc1cc(Cl)ccc1O[C@H](C)C(=O)OCc1ccccc1-c1nn[n-]n1 ZINC000826267596 609450486 /nfs/dbraw/zinc/45/04/86/609450486.db2.gz MIQOODIQKKOZPJ-GFCCVEGCSA-N -1 3 372.812 3.339 20 0 FGADHM Cc1cc(Cl)ccc1O[C@H](C)C(=O)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000826267422 609450961 /nfs/dbraw/zinc/45/09/61/609450961.db2.gz FDWREYSPLXIOCO-GFCCVEGCSA-N -1 3 372.812 3.339 20 0 FGADHM Cc1cc(Cl)ccc1O[C@H](C)C(=O)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000826267422 609450963 /nfs/dbraw/zinc/45/09/63/609450963.db2.gz FDWREYSPLXIOCO-GFCCVEGCSA-N -1 3 372.812 3.339 20 0 FGADHM CC(C)N(C)C(=O)[C@@H](C)Sc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000824755898 609451800 /nfs/dbraw/zinc/45/18/00/609451800.db2.gz MTVOUDCWCAGQDQ-SECBINFHSA-N -1 3 373.404 3.233 20 0 FGADHM CC(C)N(C)C(=O)[C@@H](C)Sc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000824755898 609451802 /nfs/dbraw/zinc/45/18/02/609451802.db2.gz MTVOUDCWCAGQDQ-SECBINFHSA-N -1 3 373.404 3.233 20 0 FGADHM Clc1cccc(Cl)c1CNc1nc2ccccn2c1-c1nnn[n-]1 ZINC000826353327 609466767 /nfs/dbraw/zinc/46/67/67/609466767.db2.gz KTBLCUOAWRNZQU-UHFFFAOYSA-N -1 3 360.208 3.433 20 0 FGADHM Clc1cccc(Cl)c1CNc1nc2ccccn2c1-c1nn[n-]n1 ZINC000826353327 609466768 /nfs/dbraw/zinc/46/67/68/609466768.db2.gz KTBLCUOAWRNZQU-UHFFFAOYSA-N -1 3 360.208 3.433 20 0 FGADHM CC(C)(C)NC(=O)c1cccc(NCc2cccc(-c3nnn[n-]3)c2F)c1 ZINC000824092987 609475142 /nfs/dbraw/zinc/47/51/42/609475142.db2.gz CQRSHKUORAHVIE-UHFFFAOYSA-N -1 3 368.416 3.146 20 0 FGADHM CC(C)(C)NC(=O)c1cccc(NCc2cccc(-c3nn[n-]n3)c2F)c1 ZINC000824092987 609475145 /nfs/dbraw/zinc/47/51/45/609475145.db2.gz CQRSHKUORAHVIE-UHFFFAOYSA-N -1 3 368.416 3.146 20 0 FGADHM Cc1nccc(-c2cccc(NCc3cccc(-c4nnn[n-]4)c3F)c2)n1 ZINC000826329990 609476611 /nfs/dbraw/zinc/47/66/11/609476611.db2.gz AMLAGFCLNQFUQV-UHFFFAOYSA-N -1 3 361.384 3.383 20 0 FGADHM Cc1nccc(-c2cccc(NCc3cccc(-c4nn[n-]n4)c3F)c2)n1 ZINC000826329990 609476613 /nfs/dbraw/zinc/47/66/13/609476613.db2.gz AMLAGFCLNQFUQV-UHFFFAOYSA-N -1 3 361.384 3.383 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NCc1cnc([C@@H]2CCCO2)s1 ZINC000825632299 609477323 /nfs/dbraw/zinc/47/73/23/609477323.db2.gz OHUNBIVKNNKTBR-HNNXBMFYSA-N -1 3 372.454 3.186 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NCc1cnc([C@@H]2CCCO2)s1 ZINC000825632299 609477326 /nfs/dbraw/zinc/47/73/26/609477326.db2.gz OHUNBIVKNNKTBR-HNNXBMFYSA-N -1 3 372.454 3.186 20 0 FGADHM Cc1cc(C)c(-c2nnn[n-]2)c(SCCCCC(=O)OC(C)(C)C)n1 ZINC000826263180 609479464 /nfs/dbraw/zinc/47/94/64/609479464.db2.gz OROYPKOXMCGYSJ-UHFFFAOYSA-N -1 3 363.487 3.483 20 0 FGADHM Cc1cc(C)c(-c2nn[n-]n2)c(SCCCCC(=O)OC(C)(C)C)n1 ZINC000826263180 609479466 /nfs/dbraw/zinc/47/94/66/609479466.db2.gz OROYPKOXMCGYSJ-UHFFFAOYSA-N -1 3 363.487 3.483 20 0 FGADHM Cc1noc(C2CC2)c1C(=O)N(CC(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826339846 609481606 /nfs/dbraw/zinc/48/16/06/609481606.db2.gz WPKBUQHZYJJPHU-UHFFFAOYSA-N -1 3 366.425 3.343 20 0 FGADHM Cc1noc(C2CC2)c1C(=O)N(CC(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826339846 609481607 /nfs/dbraw/zinc/48/16/07/609481607.db2.gz WPKBUQHZYJJPHU-UHFFFAOYSA-N -1 3 366.425 3.343 20 0 FGADHM Fc1c(CNc2ccn(-c3ccccc3Cl)n2)cccc1-c1nnn[n-]1 ZINC000826371013 609482123 /nfs/dbraw/zinc/48/21/23/609482123.db2.gz PCLSSGKSFUTBPE-UHFFFAOYSA-N -1 3 369.791 3.457 20 0 FGADHM Fc1c(CNc2ccn(-c3ccccc3Cl)n2)cccc1-c1nn[n-]n1 ZINC000826371013 609482125 /nfs/dbraw/zinc/48/21/25/609482125.db2.gz PCLSSGKSFUTBPE-UHFFFAOYSA-N -1 3 369.791 3.457 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NCc1cc(O)ccc1Br ZINC000826278897 609482970 /nfs/dbraw/zinc/48/29/70/609482970.db2.gz XUHPSGADGXUMTN-UHFFFAOYSA-N -1 3 360.215 3.255 20 0 FGADHM CCOC(=O)Nc1ccc(NCc2cc(F)cc(F)c2)cc1-c1nnn[n-]1 ZINC000825552715 609487573 /nfs/dbraw/zinc/48/75/73/609487573.db2.gz CZVJZADKIKSTFS-UHFFFAOYSA-N -1 3 374.351 3.325 20 0 FGADHM CCOC(=O)Nc1ccc(NCc2cc(F)cc(F)c2)cc1-c1nn[n-]n1 ZINC000825552715 609487575 /nfs/dbraw/zinc/48/75/75/609487575.db2.gz CZVJZADKIKSTFS-UHFFFAOYSA-N -1 3 374.351 3.325 20 0 FGADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCCCC2)c1ccc(F)cn1 ZINC000826460775 609493635 /nfs/dbraw/zinc/49/36/35/609493635.db2.gz SAKKSVHCBRETGD-UHFFFAOYSA-N -1 3 372.429 3.374 20 0 FGADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCCCC2)c1ccc(F)cn1 ZINC000826460775 609493636 /nfs/dbraw/zinc/49/36/36/609493636.db2.gz SAKKSVHCBRETGD-UHFFFAOYSA-N -1 3 372.429 3.374 20 0 FGADHM C[C@@H]1CCC[C@H]1C(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000824925460 609509645 /nfs/dbraw/zinc/50/96/45/609509645.db2.gz CWKIRBKZICKPOF-ZWNOBZJWSA-N -1 3 354.439 3.365 20 0 FGADHM C[C@@H]1CCC[C@H]1C(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000824925460 609509646 /nfs/dbraw/zinc/50/96/46/609509646.db2.gz CWKIRBKZICKPOF-ZWNOBZJWSA-N -1 3 354.439 3.365 20 0 FGADHM Cc1ccnc(N[C@@H](c2ccccc2)C2CCOCC2)c1-c1nnn[n-]1 ZINC000826311792 609555757 /nfs/dbraw/zinc/55/57/57/609555757.db2.gz NPMNPLHWOZYWET-KRWDZBQOSA-N -1 3 350.426 3.150 20 0 FGADHM Cc1ccnc(N[C@@H](c2ccccc2)C2CCOCC2)c1-c1nn[n-]n1 ZINC000826311792 609555759 /nfs/dbraw/zinc/55/57/59/609555759.db2.gz NPMNPLHWOZYWET-KRWDZBQOSA-N -1 3 350.426 3.150 20 0 FGADHM Cc1c(Cl)cnc(N2CCS[C@@H]3CCCC[C@@H]32)c1-c1nnn[n-]1 ZINC000826239181 609572489 /nfs/dbraw/zinc/57/24/89/609572489.db2.gz ZKUKCTVNFPHCIX-NWDGAFQWSA-N -1 3 350.879 3.088 20 0 FGADHM Cc1c(Cl)cnc(N2CCS[C@@H]3CCCC[C@@H]32)c1-c1nn[n-]n1 ZINC000826239181 609572491 /nfs/dbraw/zinc/57/24/91/609572491.db2.gz ZKUKCTVNFPHCIX-NWDGAFQWSA-N -1 3 350.879 3.088 20 0 FGADHM CCOC(=O)Nc1ccc(NC(=O)[C@@H](C)[C@H](C)CC)cc1-c1nnn[n-]1 ZINC000825523750 609579625 /nfs/dbraw/zinc/57/96/25/609579625.db2.gz UAHDENIDCRWJAO-MNOVXSKESA-N -1 3 360.418 3.056 20 0 FGADHM CCOC(=O)Nc1ccc(NC(=O)[C@@H](C)[C@H](C)CC)cc1-c1nn[n-]n1 ZINC000825523750 609579627 /nfs/dbraw/zinc/57/96/27/609579627.db2.gz UAHDENIDCRWJAO-MNOVXSKESA-N -1 3 360.418 3.056 20 0 FGADHM Cc1nc2c(s1)[C@@H](Nc1ncc(Cl)c(C)c1-c1nnn[n-]1)CCC2 ZINC000826328382 609587339 /nfs/dbraw/zinc/58/73/39/609587339.db2.gz PFPBXPXAXKQIAP-NSHDSACASA-N -1 3 361.862 3.478 20 0 FGADHM Cc1nc2c(s1)[C@@H](Nc1ncc(Cl)c(C)c1-c1nn[n-]n1)CCC2 ZINC000826328382 609587341 /nfs/dbraw/zinc/58/73/41/609587341.db2.gz PFPBXPXAXKQIAP-NSHDSACASA-N -1 3 361.862 3.478 20 0 FGADHM Fc1ccc(-c2noc(CCCNc3ccc(-c4nn[n-]n4)cc3)n2)cc1 ZINC000826373181 609588788 /nfs/dbraw/zinc/58/87/88/609588788.db2.gz CIZZUCSDMFRTON-UHFFFAOYSA-N -1 3 365.372 3.101 20 0 FGADHM CCCN(C(=O)c1cc(C)n(-c2cccc(-c3nnn[n-]3)c2)n1)C(C)(C)C ZINC000825301896 609593522 /nfs/dbraw/zinc/59/35/22/609593522.db2.gz SAQHLFCQANETQX-UHFFFAOYSA-N -1 3 367.457 3.012 20 0 FGADHM CCCN(C(=O)c1cc(C)n(-c2cccc(-c3nn[n-]n3)c2)n1)C(C)(C)C ZINC000825301896 609593524 /nfs/dbraw/zinc/59/35/24/609593524.db2.gz SAQHLFCQANETQX-UHFFFAOYSA-N -1 3 367.457 3.012 20 0 FGADHM CS[C@H](CNC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1)C(C)(C)C ZINC000826225461 609602784 /nfs/dbraw/zinc/60/27/84/609602784.db2.gz CURRDBRTBLINHA-BXUZGUMPSA-N -1 3 362.503 3.005 20 0 FGADHM CS[C@H](CNC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1)C(C)(C)C ZINC000826225461 609602786 /nfs/dbraw/zinc/60/27/86/609602786.db2.gz CURRDBRTBLINHA-BXUZGUMPSA-N -1 3 362.503 3.005 20 0 FGADHM O=C(Cc1ccc(F)cc1F)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826423094 609615151 /nfs/dbraw/zinc/61/51/51/609615151.db2.gz YHACTWIRZUTXTF-UHFFFAOYSA-N -1 3 364.739 3.084 20 0 FGADHM O=C(Cc1ccc(F)cc1F)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826423094 609615152 /nfs/dbraw/zinc/61/51/52/609615152.db2.gz YHACTWIRZUTXTF-UHFFFAOYSA-N -1 3 364.739 3.084 20 0 FGADHM COc1ccc(C(=O)[N-]NC(=S)Nc2cccc(Cl)c2)c(F)c1 ZINC000007285197 695566133 /nfs/dbraw/zinc/56/61/33/695566133.db2.gz BTKDOXSSHZWISN-UHFFFAOYSA-N -1 3 353.806 3.119 20 0 FGADHM O=c1[n-]nc(SCCOc2ccc(F)cc2)n1CCc1ccccc1 ZINC000007345895 695567365 /nfs/dbraw/zinc/56/73/65/695567365.db2.gz WAELYFRJOPWVKX-UHFFFAOYSA-N -1 3 359.426 3.124 20 0 FGADHM COc1ccccc1[C@H](C)NC(=O)COC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000011810244 695602901 /nfs/dbraw/zinc/60/29/01/695602901.db2.gz MDSMVFWWSRNYKS-VIFPVBQESA-N -1 3 371.220 3.364 20 0 FGADHM CCCCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3C)cc1 ZINC000012647693 695607262 /nfs/dbraw/zinc/60/72/62/695607262.db2.gz JPRSWYWBXIGCQR-UHFFFAOYSA-N -1 3 358.463 3.349 20 0 FGADHM CSc1ccc(Cl)c(C(=O)[N-]NC(=O)Cc2ccc(F)cc2)c1 ZINC000015529008 695618989 /nfs/dbraw/zinc/61/89/89/695618989.db2.gz ATSFPAUVBNVMHS-UHFFFAOYSA-N -1 3 352.818 3.205 20 0 FGADHM CN(CC[N-]S(=O)(=O)c1cccc(Cl)c1Cl)c1ccccc1 ZINC000016737559 695631806 /nfs/dbraw/zinc/63/18/06/695631806.db2.gz IBBGCACJECBUPK-UHFFFAOYSA-N -1 3 359.278 3.408 20 0 FGADHM O=c1ccc2cc(S(=O)(=O)[N-]c3cccc(Cl)c3F)ccc2o1 ZINC000023015564 695658887 /nfs/dbraw/zinc/65/88/87/695658887.db2.gz DKRDWPJFEOJOTA-UHFFFAOYSA-N -1 3 353.758 3.386 20 0 FGADHM O=C(COc1cccc(Cl)c1)N[N-]C(=O)c1ccc(Cl)cc1Cl ZINC000026624769 695685925 /nfs/dbraw/zinc/68/59/25/695685925.db2.gz AWJNZTICBBMQEQ-UHFFFAOYSA-N -1 3 373.623 3.487 20 0 FGADHM COC(=O)c1cc([N-]S(=O)(=O)c2c(C)cc(OC)cc2C)ccc1F ZINC000029047858 695708595 /nfs/dbraw/zinc/70/85/95/695708595.db2.gz QQMVGTQZHFPMNC-UHFFFAOYSA-N -1 3 367.398 3.039 20 0 FGADHM CCN1CCN(c2ccc(NC(=O)c3cc(Cl)ccc3[O-])cc2)CC1 ZINC000030669728 695725393 /nfs/dbraw/zinc/72/53/93/695725393.db2.gz JBSGWAVGXOEGSI-UHFFFAOYSA-N -1 3 359.857 3.440 20 0 FGADHM Cc1c([O-])ccc2c(Cn3cc(C(F)(F)F)ccc3=O)cc(=O)oc12 ZINC000031625340 695737539 /nfs/dbraw/zinc/73/75/39/695737539.db2.gz CTWQNJGJBCIYMZ-UHFFFAOYSA-N -1 3 351.280 3.036 20 0 FGADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)NCc1ccccc1Cl ZINC000031813783 695739536 /nfs/dbraw/zinc/73/95/36/695739536.db2.gz ZDHRRAOVRSWLAJ-UHFFFAOYSA-N -1 3 356.813 3.135 20 0 FGADHM COc1ccc(C)cc1CC[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000032407422 695743818 /nfs/dbraw/zinc/74/38/18/695743818.db2.gz VOVAAAKGMBSLQC-UHFFFAOYSA-N -1 3 357.834 3.317 20 0 FGADHM C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N[N-]C(=O)c1ccccc1F ZINC000045590645 695823715 /nfs/dbraw/zinc/82/37/15/695823715.db2.gz WGHXSOWQONOBKY-SECBINFHSA-N -1 3 371.195 3.361 20 0 FGADHM CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)cc1OCC ZINC000045909218 695828463 /nfs/dbraw/zinc/82/84/63/695828463.db2.gz WAXAGJPMJWFELQ-UHFFFAOYSA-N -1 3 363.435 3.220 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2F)c2cccnc12 ZINC000047251793 695854803 /nfs/dbraw/zinc/85/48/03/695854803.db2.gz NZCKZWAHBTXVSY-UHFFFAOYSA-N -1 3 350.346 3.322 20 0 FGADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(F)c(NC(C)=O)c2)c(C)c1 ZINC000047454413 695859886 /nfs/dbraw/zinc/85/98/86/695859886.db2.gz ZZPWBBJDYRSTOH-UHFFFAOYSA-N -1 3 366.414 3.210 20 0 FGADHM CCC[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)NCC)c(Cl)cc1Cl ZINC000047654646 695864863 /nfs/dbraw/zinc/86/48/63/695864863.db2.gz BPDNRZUWDONPCO-VIFPVBQESA-N -1 3 367.298 3.210 20 0 FGADHM CN(Cc1ccc(Br)cc1)C(=O)c1cc2c(cc1[O-])OCO2 ZINC000048170027 695873948 /nfs/dbraw/zinc/87/39/48/695873948.db2.gz OKXFKEUHWXEXMV-UHFFFAOYSA-N -1 3 364.195 3.156 20 0 FGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)c1ccc(SC(F)F)cc1 ZINC000068973815 695946236 /nfs/dbraw/zinc/94/62/36/695946236.db2.gz HRPRYWWKIJMQAT-UHFFFAOYSA-N -1 3 361.377 3.111 20 0 FGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)c1ccc(SC(F)F)cc1 ZINC000068973815 695946238 /nfs/dbraw/zinc/94/62/38/695946238.db2.gz HRPRYWWKIJMQAT-UHFFFAOYSA-N -1 3 361.377 3.111 20 0 FGADHM CC[C@@H]1C[C@@H](C)CN1C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000073326073 695968059 /nfs/dbraw/zinc/96/80/59/695968059.db2.gz HITOZBIDPCTEIQ-TZMCWYRMSA-N -1 3 370.490 3.163 20 0 FGADHM CC(C)CN(CC(C)C)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000073519519 695969782 /nfs/dbraw/zinc/96/97/82/695969782.db2.gz GJFRUDXJLFHOGO-UHFFFAOYSA-N -1 3 370.490 3.021 20 0 FGADHM COc1ccc(C(=O)N2C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C2)c([O-])c1 ZINC000075547624 700213724 /nfs/dbraw/zinc/21/37/24/700213724.db2.gz DZDXGLWCBRMOBD-NXEZZACHSA-N -1 3 357.250 3.214 20 0 FGADHM CN(C)c1ccc([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2)cc1 ZINC000097091724 700461069 /nfs/dbraw/zinc/46/10/69/700461069.db2.gz GKIDUKAOLMKFSG-UHFFFAOYSA-N -1 3 360.357 3.452 20 0 FGADHM CCc1ccc([O-])c(C(=O)Nc2cccc(C[S@](=O)CCOC)c2)c1 ZINC000116987125 700599415 /nfs/dbraw/zinc/59/94/15/700599415.db2.gz FKKQORNFXZCHFM-VWLOTQADSA-N -1 3 361.463 3.102 20 0 FGADHM O=S(=O)([N-]C1CCN(c2cccs2)CC1)c1ccc(Cl)s1 ZINC000119341294 700626284 /nfs/dbraw/zinc/62/62/84/700626284.db2.gz REYGLGJPLBYLCM-UHFFFAOYSA-N -1 3 362.929 3.410 20 0 FGADHM O=S(=O)([N-]c1cccnc1Br)c1ccc(F)c(Cl)c1 ZINC000121389819 700671369 /nfs/dbraw/zinc/67/13/69/700671369.db2.gz MFFVWOUDCKRFTC-UHFFFAOYSA-N -1 3 365.611 3.437 20 0 FGADHM C[C@@H](/N=C\c1cc(Cl)ccc1[O-])c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000126954871 700755247 /nfs/dbraw/zinc/75/52/47/700755247.db2.gz RZNJIZPXTMLYDC-ZDFPAGSVSA-N -1 3 366.870 3.476 20 0 FGADHM Cc1cccc([C@H](C)OC(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)c1 ZINC000128172126 700771498 /nfs/dbraw/zinc/77/14/98/700771498.db2.gz WPARMUBIZFTEBP-LBPRGKRZSA-N -1 3 351.399 3.424 20 0 FGADHM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(N(C)C)c(Cl)c2)c1 ZINC000132592909 700829140 /nfs/dbraw/zinc/82/91/40/700829140.db2.gz HTNURCLRLNZGDQ-UHFFFAOYSA-N -1 3 352.843 3.409 20 0 FGADHM Cc1ccc([N-]S(=O)(=O)c2cc(F)ccc2C)c(Br)n1 ZINC000135241314 704840684 /nfs/dbraw/zinc/84/06/84/704840684.db2.gz JGJOETXYIQBSEY-UHFFFAOYSA-N -1 3 359.220 3.401 20 0 FGADHM Cc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c(Br)n1 ZINC000135244930 704841076 /nfs/dbraw/zinc/84/10/76/704841076.db2.gz PNPQZZDZPNQRMS-UHFFFAOYSA-N -1 3 363.183 3.232 20 0 FGADHM [O-]c1ccc(Br)cc1CNCc1cn(-c2ccccc2)nn1 ZINC000152703551 704971850 /nfs/dbraw/zinc/97/18/50/704971850.db2.gz IULLYAKWBWXPRG-UHFFFAOYSA-N -1 3 359.227 3.025 20 0 FGADHM O=C(C[C@@H]1CN(Cc2ccccc2)CCO1)Nc1ccc(Cl)cc1[O-] ZINC000153709914 705009522 /nfs/dbraw/zinc/00/95/22/705009522.db2.gz ZZPRKJQMRZUTJT-MRXNPFEDSA-N -1 3 360.841 3.275 20 0 FGADHM O=C(NCCC1CCC1)N[N-]C(=O)c1ccc(Br)cc1Cl ZINC000155173213 705066343 /nfs/dbraw/zinc/06/63/43/705066343.db2.gz RVIGBGYDZDTMEP-UHFFFAOYSA-N -1 3 374.666 3.237 20 0 FGADHM O=c1cc(C(F)(F)F)nc(C[S@](=O)CCOC2CCCCCC2)[n-]1 ZINC000155267984 705070511 /nfs/dbraw/zinc/07/05/11/705070511.db2.gz IPCZICVHSVHJSU-DEOSSOPVSA-N -1 3 366.405 3.189 20 0 FGADHM COc1ccc(NCc2c(O)cccc2Cl)cc1[N-]S(C)(=O)=O ZINC000158943600 705205459 /nfs/dbraw/zinc/20/54/59/705205459.db2.gz ZBYAAGTXWQNZLE-UHFFFAOYSA-N -1 3 356.831 3.038 20 0 FGADHM C[C@@H](Cc1ccco1)[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000161996820 705287235 /nfs/dbraw/zinc/28/72/35/705287235.db2.gz KCLALOKJGMMVCC-VIFPVBQESA-N -1 3 362.220 3.091 20 0 FGADHM CS[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)C1 ZINC000172265199 705412558 /nfs/dbraw/zinc/41/25/58/705412558.db2.gz MNFXUFNHXRXHEB-BDAKNGLRSA-N -1 3 355.312 3.341 20 0 FGADHM COCCOC[C@H]1CCN(Cn2c(CCC3CCCC3)n[n-]c2=S)C1 ZINC000173399359 705457054 /nfs/dbraw/zinc/45/70/54/705457054.db2.gz WLVMKRFDJYRZQZ-INIZCTEOSA-N -1 3 368.547 3.006 20 0 FGADHM COCCOC[C@@H]1CCN(Cn2c(CCC3CCCC3)n[n-]c2=S)C1 ZINC000173399347 705457136 /nfs/dbraw/zinc/45/71/36/705457136.db2.gz WLVMKRFDJYRZQZ-MRXNPFEDSA-N -1 3 368.547 3.006 20 0 FGADHM C[C@H]([N-]S(=O)(=O)C1=Cc2ccccc2CC1)c1nc(C(C)(C)C)no1 ZINC000174039772 705483573 /nfs/dbraw/zinc/48/35/73/705483573.db2.gz PYPAWDYCJWHVDW-LBPRGKRZSA-N -1 3 361.467 3.335 20 0 FGADHM CCCn1cc([N-]S(=O)(=O)/C=C/c2cccc(Br)c2)cn1 ZINC000174745687 705516882 /nfs/dbraw/zinc/51/68/82/705516882.db2.gz UDGNSHZKSRLFJD-SOFGYWHQSA-N -1 3 370.272 3.468 20 0 FGADHM CCC[C@@H](NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C)c1)c1ccccc1 ZINC000177405215 705621819 /nfs/dbraw/zinc/62/18/19/705621819.db2.gz BPJRLSILDCJMTQ-MRXNPFEDSA-N -1 3 364.442 3.005 20 0 FGADHM CCCN(CC1CCCCC1)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C)c1 ZINC000177436214 705623376 /nfs/dbraw/zinc/62/33/76/705623376.db2.gz CHSXWYVPYKUKBJ-UHFFFAOYSA-N -1 3 370.490 3.166 20 0 FGADHM CCC(CC)N(CC(C)C)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C)c1 ZINC000177620797 705631113 /nfs/dbraw/zinc/63/11/13/705631113.db2.gz XXUHQGOOKQAIGJ-UHFFFAOYSA-N -1 3 358.479 3.021 20 0 FGADHM CSc1ccccc1NC(=O)[C@H](C)O[N-]C(=O)Cc1ccc(C)cc1 ZINC000178158777 705656638 /nfs/dbraw/zinc/65/66/38/705656638.db2.gz MKJCQPAVRUDWCM-AWEZNQCLSA-N -1 3 358.463 3.334 20 0 FGADHM O=C(NCc1ccc([O-])c(Br)c1)Nc1cnn(CC2CC2)c1 ZINC000178486374 705665890 /nfs/dbraw/zinc/66/58/90/705665890.db2.gz QWFJAFXZDDNTTD-UHFFFAOYSA-N -1 3 365.231 3.083 20 0 FGADHM O=C(Nc1ccc(Cl)cc1[O-])[C@H]1CSCN1C(=O)C1CCCC1 ZINC000179640887 705708908 /nfs/dbraw/zinc/70/89/08/705708908.db2.gz LMKIWBGCKBBGHJ-CYBMUJFWSA-N -1 3 354.859 3.076 20 0 FGADHM Cc1nc2sccc2c(=O)n1[N-]C(=O)c1ccccc1OC(F)(F)F ZINC000180132333 705729934 /nfs/dbraw/zinc/72/99/34/705729934.db2.gz TZNZIZUVTGOFAA-UHFFFAOYSA-N -1 3 369.324 3.049 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2ccc3oc(=O)ccc3c2)c(C)c1F ZINC000181134467 705773615 /nfs/dbraw/zinc/77/36/15/705773615.db2.gz FEGUERVLKXYTAJ-UHFFFAOYSA-N -1 3 363.366 3.050 20 0 FGADHM CC(C)Cn1cc(C([O-])=C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)cn1 ZINC000181517824 705797750 /nfs/dbraw/zinc/79/77/50/705797750.db2.gz 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712780343 /nfs/dbraw/zinc/78/03/43/712780343.db2.gz YUBWJZOKPJRKMS-UHFFFAOYSA-N -1 3 354.175 3.464 20 0 FGADHM O=C(CCc1cscn1)[N-]OCc1ccc(F)cc1Br ZINC000188910111 712780389 /nfs/dbraw/zinc/78/03/89/712780389.db2.gz PFIQCLJFAFVWJH-UHFFFAOYSA-N -1 3 359.220 3.225 20 0 FGADHM Cc1ccc(-c2nc(NC(=O)c3nc(Br)ccc3C)n[n-]2)o1 ZINC000190566559 712817733 /nfs/dbraw/zinc/81/77/33/712817733.db2.gz ITSMABLLBDRASC-UHFFFAOYSA-N -1 3 362.187 3.091 20 0 FGADHM S=c1nc(-c2ccccn2)[n-]n1CN1CCC(c2ccncc2)CC1 ZINC000191281854 712833360 /nfs/dbraw/zinc/83/33/60/712833360.db2.gz KLTNZEWMNZUCTE-UHFFFAOYSA-N -1 3 352.467 3.235 20 0 FGADHM CCCC1CCC(N(C)C(=O)c2ccc(F)c(S(=O)(=O)[N-]C)c2)CC1 ZINC000192271121 712855897 /nfs/dbraw/zinc/85/58/97/712855897.db2.gz RNBBHEKTRYYZHD-UHFFFAOYSA-N -1 3 370.490 3.165 20 0 FGADHM O=S(=O)([N-]N=c1ccc(C(F)(F)F)c[nH]1)c1ccc(F)cc1Cl ZINC000192686388 712870685 /nfs/dbraw/zinc/87/06/85/712870685.db2.gz XRUOOESIDHCNNG-UHFFFAOYSA-N -1 3 369.727 3.198 20 0 FGADHM C[C@@H]1CCCC[C@]1(CNC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1ccco1 ZINC000192866937 712876066 /nfs/dbraw/zinc/87/60/66/712876066.db2.gz JOWNDCWGIPKIEE-CXAGYDPISA-N -1 3 372.487 3.032 20 0 FGADHM COc1ccc([C@H](C)NC(=O)c2cccc(O)c2[O-])cc1Br ZINC000192899383 712877245 /nfs/dbraw/zinc/87/72/45/712877245.db2.gz KQUMOXYPEIBGPA-VIFPVBQESA-N -1 3 366.211 3.360 20 0 FGADHM O=C(c1cccc(O)c1[O-])N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000193010607 712880460 /nfs/dbraw/zinc/88/04/60/712880460.db2.gz ILGWTGHJXYYSEA-HNNXBMFYSA-N -1 3 351.761 3.104 20 0 FGADHM O=c1[n-]c(SCc2ncc(-c3ccc(Cl)cc3)o2)nc2[nH]ncc21 ZINC000193042658 712881254 /nfs/dbraw/zinc/88/12/54/712881254.db2.gz QNJGDMFTMJTDKE-UHFFFAOYSA-N -1 3 359.798 3.247 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCO3)c(Cl)n1 ZINC000193309419 712886957 /nfs/dbraw/zinc/88/69/57/712886957.db2.gz AVLIWYPOJXKNBE-UHFFFAOYSA-N -1 3 361.206 3.226 20 0 FGADHM O=C(CCC1CCCCC1)[N-]OCC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000193619086 712896976 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COc1cc(C=NNC(=O)COc2ccc(C)c(C)c2)cc(Cl)c1[O-] ZINC000254835069 713676853 /nfs/dbraw/zinc/67/68/53/713676853.db2.gz RPLBNBSHEINCIB-UHFFFAOYSA-N -1 3 362.813 3.200 20 0 FGADHM COC1(CS(=O)(=O)[N-]c2cccc(-c3nnsc3Cl)c2)CCC1 ZINC000641696746 717922358 /nfs/dbraw/zinc/92/23/58/717922358.db2.gz ZDNGPWVRTJEJMS-UHFFFAOYSA-N -1 3 373.887 3.169 20 0 FGADHM O=C([O-])[C@@H]1CN(Cc2c[nH]nc2-c2cccc(Cl)c2)C[C@H]1C(F)(F)F ZINC000263530638 713748930 /nfs/dbraw/zinc/74/89/30/713748930.db2.gz WIMZXGPSCHJOCC-CHWSQXEVSA-N -1 3 373.762 3.425 20 0 FGADHM COc1cc(/C=C(/C#N)C(=O)Nc2ccncc2)c(Br)cc1[O-] ZINC000263634143 713749468 /nfs/dbraw/zinc/74/94/68/713749468.db2.gz LCZYOJUHNVTWKU-WDZFZDKYSA-N -1 3 374.194 3.104 20 0 FGADHM O=C(NC[C@@H]1CCN(CC(F)(F)F)C1)c1cc([O-])c2ccccc2c1 ZINC000279412057 713758331 /nfs/dbraw/zinc/75/83/31/713758331.db2.gz CBEPOKIXWMXLKF-LBPRGKRZSA-N -1 3 352.356 3.159 20 0 FGADHM O=C(c1cc([O-])c2ccccc2c1)N1CCC[C@](O)(C(F)(F)F)CC1 ZINC000287867303 713766993 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O=C(NCCc1c(Cl)cccc1Cl)c1cc(F)cc2n[n-]nc21 ZINC000503181695 714113264 /nfs/dbraw/zinc/11/32/64/714113264.db2.gz QVNUYWHCEOAJDA-UHFFFAOYSA-N -1 3 353.184 3.376 20 0 FGADHM CC[C@H](C)[C@H]([N-]S(=O)(=O)Cc1ccc(C)cc1)C(=O)OC(C)(C)C ZINC000515908077 714134674 /nfs/dbraw/zinc/13/46/74/714134674.db2.gz WYGGCUAKWCOERE-HOCLYGCPSA-N -1 3 355.500 3.171 20 0 FGADHM CSc1nc(NC(=O)COc2ccc(Oc3ccccc3)cc2)n[n-]1 ZINC000522721891 714202957 /nfs/dbraw/zinc/20/29/57/714202957.db2.gz MVTLPRGCWKEPBA-UHFFFAOYSA-N -1 3 356.407 3.336 20 0 FGADHM CSC[C@@H](C)[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000522972726 714214543 /nfs/dbraw/zinc/21/45/43/714214543.db2.gz SXYLBEGXWGOSCD-SECBINFHSA-N -1 3 362.929 3.493 20 0 FGADHM COC(=O)CCCc1nnc([N-]C(=O)c2sc(C(C)C)nc2C)s1 ZINC000523530443 714239831 /nfs/dbraw/zinc/23/98/31/714239831.db2.gz SUCRQWAEAWPSOB-UHFFFAOYSA-N -1 3 368.484 3.174 20 0 FGADHM O=C(COc1ccc(Cl)c(Cl)c1)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000525967417 714391750 /nfs/dbraw/zinc/39/17/50/714391750.db2.gz 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Cc1ccc(CCC(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc1Cl ZINC000621120392 714961932 /nfs/dbraw/zinc/96/19/32/714961932.db2.gz PBOORAQYNILGHC-UHFFFAOYSA-N -1 3 355.829 3.078 20 0 FGADHM Cc1ccc(CCC(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC000621120392 714961935 /nfs/dbraw/zinc/96/19/35/714961935.db2.gz PBOORAQYNILGHC-UHFFFAOYSA-N -1 3 355.829 3.078 20 0 FGADHM CC(C)(C)n1nnc(C(=O)[N-]c2nc(-c3c(F)cccc3F)cs2)n1 ZINC000621562261 715004186 /nfs/dbraw/zinc/00/41/86/715004186.db2.gz HKIDMVLIHWYNQG-UHFFFAOYSA-N -1 3 364.381 3.082 20 0 FGADHM CC(C)(C)n1nnc(C(=O)[N-]c2nc3cc(C(F)(F)F)ccc3s2)n1 ZINC000622777364 715090599 /nfs/dbraw/zinc/09/05/99/715090599.db2.gz NWHBEHOGDIPOSY-UHFFFAOYSA-N -1 3 370.360 3.309 20 0 FGADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Br)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000622887404 715103387 /nfs/dbraw/zinc/10/33/87/715103387.db2.gz VBIFXHAVCFHDBR-HLTSFMKQSA-N -1 3 366.181 3.005 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)c1cnn(Cc2ccccc2)c1Cl ZINC000802783734 724406614 /nfs/dbraw/zinc/40/66/14/724406614.db2.gz 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DKXZWXXXCVQKJS-CYBMUJFWSA-N -1 3 353.813 3.213 20 0 FGADHM COCc1csc(CN2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)c1 ZINC000825940283 729400198 /nfs/dbraw/zinc/40/01/98/729400198.db2.gz RPXXOKAVCOHVSD-MJVIPROJSA-N -1 3 364.433 3.172 20 0 FGADHM Cc1c(Cl)cnc(N[C@H](c2cnn(C)c2)C(C)(C)C)c1-c1nnn[n-]1 ZINC000826238373 729406487 /nfs/dbraw/zinc/40/64/87/729406487.db2.gz DYAZMVYIKNEPMS-CYBMUJFWSA-N -1 3 360.853 3.156 20 0 FGADHM Cc1c(Cl)cnc(N[C@H](c2cnn(C)c2)C(C)(C)C)c1-c1nn[n-]n1 ZINC000826238373 729406489 /nfs/dbraw/zinc/40/64/89/729406489.db2.gz DYAZMVYIKNEPMS-CYBMUJFWSA-N -1 3 360.853 3.156 20 0 FGADHM Cc1c(NC(=O)[C@@H]2CCc3c2cccc3Cl)cccc1-c1nnn[n-]1 ZINC000826241319 729406582 /nfs/dbraw/zinc/40/65/82/729406582.db2.gz YUJSCKMSCWJSJK-CQSZACIVSA-N -1 3 353.813 3.497 20 0 FGADHM Cc1c(NC(=O)[C@@H]2CCc3c2cccc3Cl)cccc1-c1nn[n-]n1 ZINC000826241319 729406584 /nfs/dbraw/zinc/40/65/84/729406584.db2.gz YUJSCKMSCWJSJK-CQSZACIVSA-N -1 3 353.813 3.497 20 0 FGADHM Cc1c(Cl)cnc(N[C@@H]2CCO[C@H](C(C)(C)C)C2)c1-c1nnn[n-]1 ZINC000826239504 729406589 /nfs/dbraw/zinc/40/65/89/729406589.db2.gz JLIUMXRVDMJTRW-PWSUYJOCSA-N -1 3 350.854 3.229 20 0 FGADHM Cc1c(Cl)cnc(N[C@@H]2CCO[C@H](C(C)(C)C)C2)c1-c1nn[n-]n1 ZINC000826239504 729406591 /nfs/dbraw/zinc/40/65/91/729406591.db2.gz JLIUMXRVDMJTRW-PWSUYJOCSA-N -1 3 350.854 3.229 20 0 FGADHM Cc1oncc1CSc1nc(C)cc(C(F)(F)F)c1-c1nnn[n-]1 ZINC000826262004 729406813 /nfs/dbraw/zinc/40/68/13/729406813.db2.gz BDSXFOLVAGQPII-UHFFFAOYSA-N -1 3 356.333 3.178 20 0 FGADHM Cc1sc(NC(=O)CSc2ccc(F)cc2)c(-c2nnn[n-]2)c1C ZINC000826349549 729407326 /nfs/dbraw/zinc/40/73/26/729407326.db2.gz LYUHOYXHXKCSMN-UHFFFAOYSA-N -1 3 363.443 3.415 20 0 FGADHM Cc1sc(NC(=O)CSc2ccc(F)cc2)c(-c2nn[n-]n2)c1C ZINC000826349549 729407327 /nfs/dbraw/zinc/40/73/27/729407327.db2.gz LYUHOYXHXKCSMN-UHFFFAOYSA-N -1 3 363.443 3.415 20 0 FGADHM Clc1ccc(OCCCNc2cnccc2-c2nnn[n-]2)c(Cl)c1 ZINC000826352590 729407451 /nfs/dbraw/zinc/40/74/51/729407451.db2.gz HATXEMPKGLXXEE-UHFFFAOYSA-N -1 3 365.224 3.450 20 0 FGADHM Clc1ccc(OCCCNc2cnccc2-c2nn[n-]n2)c(Cl)c1 ZINC000826352590 729407452 /nfs/dbraw/zinc/40/74/52/729407452.db2.gz HATXEMPKGLXXEE-UHFFFAOYSA-N -1 3 365.224 3.450 20 0 FGADHM Fc1cccc(O[C@H]2CCN(c3ccc(-c4nnn[n-]4)c(Cl)c3)C2)c1 ZINC000826377260 729407741 /nfs/dbraw/zinc/40/77/41/729407741.db2.gz KYWFPPMJGAYKGW-AWEZNQCLSA-N -1 3 359.792 3.317 20 0 FGADHM Fc1cccc(O[C@H]2CCN(c3ccc(-c4nn[n-]n4)c(Cl)c3)C2)c1 ZINC000826377260 729407742 /nfs/dbraw/zinc/40/77/42/729407742.db2.gz KYWFPPMJGAYKGW-AWEZNQCLSA-N -1 3 359.792 3.317 20 0 FGADHM Cc1ccc2cc(CN3CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C3)[nH]c2c1 ZINC000827843265 729435875 /nfs/dbraw/zinc/43/58/75/729435875.db2.gz CHYVIVKKKADGAB-WBMJQRKESA-N -1 3 353.388 3.365 20 0 FGADHM C[C@H]1CCN(C[C@@]2(C)CC2(Cl)Cl)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000829902757 729521901 /nfs/dbraw/zinc/52/19/01/729521901.db2.gz PCKLBTOJOGVALC-QFOLPQNPSA-N -1 3 361.235 3.348 20 0 FGADHM COc1ccc2c(c1)CCC(S(=O)(=O)[N-]c1cn(C)nc1C(C)C)=C2 ZINC000829952995 729525294 /nfs/dbraw/zinc/52/52/94/729525294.db2.gz RJPUBBXPGWXTFJ-UHFFFAOYSA-N -1 3 361.467 3.281 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)CC[C@H]3CC3(Cl)Cl)nc21 ZINC000830690312 729583008 /nfs/dbraw/zinc/58/30/08/729583008.db2.gz HLOKHANATBHKRE-QMMMGPOBSA-N -1 3 356.209 3.262 20 0 FGADHM C[C@@H](C(=O)Nc1cc(Br)ccc1[O-])N(C)C(=O)OC(C)(C)C ZINC000831256391 729628784 /nfs/dbraw/zinc/62/87/84/729628784.db2.gz UKDSOFMLCKJJQV-VIFPVBQESA-N -1 3 373.247 3.349 20 0 FGADHM CC(C)(C)OC(=O)NC(C)(C)c1noc(Cc2ccc([O-])c(F)c2)n1 ZINC000834467844 729805989 /nfs/dbraw/zinc/80/59/89/729805989.db2.gz HTVGYYIQFLGJDS-UHFFFAOYSA-N -1 3 351.378 3.265 20 0 FGADHM O=C(Cc1ccc([O-])c(F)c1)N1CCC(c2nc3c(s2)CCC3)CC1 ZINC000834520858 729809635 /nfs/dbraw/zinc/80/96/35/729809635.db2.gz QQIWDHOCVBWFRY-UHFFFAOYSA-N -1 3 360.454 3.425 20 0 FGADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1ccc(OC)cc1C(F)(F)F ZINC000836290976 729950872 /nfs/dbraw/zinc/95/08/72/729950872.db2.gz MLNBLFPHGBKOGD-UHFFFAOYSA-N -1 3 364.320 3.109 20 0 FGADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1ccc(OC)cc1C(F)(F)F ZINC000836290976 729950873 /nfs/dbraw/zinc/95/08/73/729950873.db2.gz MLNBLFPHGBKOGD-UHFFFAOYSA-N -1 3 364.320 3.109 20 0 FGADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1ccc(OC2CCC2)c(F)c1 ZINC000836447329 729955870 /nfs/dbraw/zinc/95/58/70/729955870.db2.gz VSHZEYUHXBIZAR-UHFFFAOYSA-N -1 3 354.378 3.152 20 0 FGADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1ccc(OC2CCC2)c(F)c1 ZINC000836447329 729955871 /nfs/dbraw/zinc/95/58/71/729955871.db2.gz VSHZEYUHXBIZAR-UHFFFAOYSA-N -1 3 354.378 3.152 20 0 FGADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1nn(C2CCCCC2)cc1C ZINC000836512179 729958490 /nfs/dbraw/zinc/95/84/90/729958490.db2.gz WMYZRTRBTAHPOM-UHFFFAOYSA-N -1 3 352.435 3.092 20 0 FGADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1nn(C2CCCCC2)cc1C ZINC000836512179 729958491 /nfs/dbraw/zinc/95/84/91/729958491.db2.gz WMYZRTRBTAHPOM-UHFFFAOYSA-N -1 3 352.435 3.092 20 0 FGADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1ccc(C(F)(F)F)c(OC)c1 ZINC000836578779 729961008 /nfs/dbraw/zinc/96/10/08/729961008.db2.gz YILPAHHBKAKFAG-UHFFFAOYSA-N -1 3 364.320 3.109 20 0 FGADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1ccc(C(F)(F)F)c(OC)c1 ZINC000836578779 729961009 /nfs/dbraw/zinc/96/10/09/729961009.db2.gz YILPAHHBKAKFAG-UHFFFAOYSA-N -1 3 364.320 3.109 20 0 FGADHM O=C(N[C@@H]1CCO[C@@H](c2cccs2)C1)c1nnc2ccccc2c1[O-] ZINC000837000618 729985923 /nfs/dbraw/zinc/98/59/23/729985923.db2.gz UIDCBTYRJCGLAG-BXUZGUMPSA-N -1 3 355.419 3.047 20 0 FGADHM O=C(CCOc1ccc(F)cc1Cl)OCc1cc(=O)[n-]c(C2CC2)n1 ZINC000837446436 730030632 /nfs/dbraw/zinc/03/06/32/730030632.db2.gz NPOSXQVHOZRBKX-UHFFFAOYSA-N -1 3 366.776 3.364 20 0 FGADHM Nc1cc(Cl)c(Cl)c(C(=O)OCc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000837558121 730041506 /nfs/dbraw/zinc/04/15/06/730041506.db2.gz QYWWTRHOGFWPBA-UHFFFAOYSA-N -1 3 354.193 3.306 20 0 FGADHM COC(C)(C)c1nc(C)c(C(=O)OCc2cc(=O)[n-]c(C3CC3)n2)s1 ZINC000837732891 730058217 /nfs/dbraw/zinc/05/82/17/730058217.db2.gz ANOFLAXIDLMBCK-UHFFFAOYSA-N -1 3 363.439 3.063 20 0 FGADHM Cc1cccc(Br)c1C(=O)OCc1cc(=O)[n-]c(C2CC2)n1 ZINC000837736258 730058782 /nfs/dbraw/zinc/05/87/82/730058782.db2.gz MUPLSSRCEWJYJR-UHFFFAOYSA-N -1 3 363.211 3.488 20 0 FGADHM Cc1noc(C)c1CCOC(=O)c1cc(Br)c(F)cc1[O-] ZINC000837780363 730063173 /nfs/dbraw/zinc/06/31/73/730063173.db2.gz NQNOASQRVKYBHL-UHFFFAOYSA-N -1 3 358.163 3.298 20 0 FGADHM CC(C)(C)OC(=O)N1CCC(OC(=O)Cc2ccc([O-])c(F)c2)CC1 ZINC000838144949 730093711 /nfs/dbraw/zinc/09/37/11/730093711.db2.gz NACUHKADRQOTDJ-UHFFFAOYSA-N -1 3 353.390 3.017 20 0 FGADHM O=C([O-])CCCCCCNCc1ccccc1I ZINC000840995366 730201841 /nfs/dbraw/zinc/20/18/41/730201841.db2.gz KIPCZGPFTCPLHK-UHFFFAOYSA-N -1 3 361.223 3.416 20 0 FGADHM Cn1cc(-c2ccc(CN(CCc3ccccc3)CC(=O)[O-])s2)cn1 ZINC000840994999 730202026 /nfs/dbraw/zinc/20/20/26/730202026.db2.gz JBQCDBYMMMPFIP-UHFFFAOYSA-N -1 3 355.463 3.278 20 0 FGADHM C[C@H](CCCc1cccnc1)[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000841538860 730254246 /nfs/dbraw/zinc/25/42/46/730254246.db2.gz JBWRUHKIQUPWID-LLVKDONJSA-N -1 3 374.293 3.473 20 0 FGADHM COc1cc(F)c(Br)cc1NC([O-])=NO[C@H]1CCCCO1 ZINC000841794663 730274615 /nfs/dbraw/zinc/27/46/15/730274615.db2.gz AMEUZBFEDWSZOL-LBPRGKRZSA-N -1 3 363.183 3.177 20 0 FGADHM COc1cc(F)c(Br)cc1NC(=O)[N-]O[C@H]1CCCCO1 ZINC000841794663 730274616 /nfs/dbraw/zinc/27/46/16/730274616.db2.gz AMEUZBFEDWSZOL-LBPRGKRZSA-N -1 3 363.183 3.177 20 0 FGADHM Cc1nn(Cc2ccccc2Cl)c(Cl)c1CNC[C@@H](C)C(=O)[O-] ZINC000841803618 730276294 /nfs/dbraw/zinc/27/62/94/730276294.db2.gz VZRBLRCIHPKYEG-SNVBAGLBSA-N -1 3 356.253 3.357 20 0 FGADHM CC1(C[N-]C(=O)C(F)(F)c2cccc(Cl)c2Cl)OCCCO1 ZINC000843865622 730661733 /nfs/dbraw/zinc/66/17/33/730661733.db2.gz SLAUWHMMWBARMZ-UHFFFAOYSA-N -1 3 354.180 3.355 20 0 FGADHM O=C(OCc1cc(=O)[n-]c(C2CC2)n1)[C@@H]1CSC[C@H]1c1ccccc1 ZINC000845413318 730845764 /nfs/dbraw/zinc/84/57/64/730845764.db2.gz BTXVCFLVVRUSPR-JKSUJKDBSA-N -1 3 356.447 3.250 20 0 FGADHM CO[C@@H](CC(=O)Oc1cccc(-c2nc(C)cc(=O)[n-]2)c1)C(F)(F)F ZINC000845478489 730855079 /nfs/dbraw/zinc/85/50/79/730855079.db2.gz YDFUJVLFGYPHRD-LBPRGKRZSA-N -1 3 356.300 3.030 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)[C@@](C)(O)c1ccccc1 ZINC000845975410 730914089 /nfs/dbraw/zinc/91/40/89/730914089.db2.gz BCBWTGGEYFONGJ-MEDUHNTESA-N -1 3 357.834 3.054 20 0 FGADHM O=C([O-])[C@@]1(c2ccccc2)CCN(Cc2cncc(Br)c2)C1 ZINC000846279458 730942962 /nfs/dbraw/zinc/94/29/62/730942962.db2.gz AKYVNBHCYRLGHC-KRWDZBQOSA-N -1 3 361.239 3.072 20 0 FGADHM CC(C)(C)OC(=O)N1CC([C@H](F)C(=O)Nc2c([O-])cccc2Cl)C1 ZINC000848139696 731134300 /nfs/dbraw/zinc/13/43/00/731134300.db2.gz BNOLGGJVJWSNMG-LBPRGKRZSA-N -1 3 358.797 3.189 20 0 FGADHM CC(C)(C)OC(=O)NCc1nocc1C(=O)Nc1c([O-])cccc1Cl ZINC000848140257 731134668 /nfs/dbraw/zinc/13/46/68/731134668.db2.gz NWWMFVBMYBZEEP-UHFFFAOYSA-N -1 3 367.789 3.311 20 0 FGADHM CC(C)(CO)[C@H](NC(=O)c1cc2sccc2c([O-])c1)c1cccnc1 ZINC000855107417 731896750 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20 0 FGADHM CC[C@@H](NCc1ccc(N2CCC(C(=O)[O-])CC2)o1)[C@H]1CCCCO1 ZINC000904251338 743942433 /nfs/dbraw/zinc/94/24/33/743942433.db2.gz KCWXLIAEEHKPPF-IAGOWNOFSA-N -1 3 350.459 3.018 20 0 FGADHM O=C([O-])[C@H](NC[C@@H]1CCC2(CCC2)O1)c1ccccc1Br ZINC000905395606 744018659 /nfs/dbraw/zinc/01/86/59/744018659.db2.gz NHRBGGUKAZIYQZ-SMDDNHRTSA-N -1 3 354.244 3.266 20 0 FGADHM Cc1nc(C)c(CNC(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)s1 ZINC000906805168 744161250 /nfs/dbraw/zinc/16/12/50/744161250.db2.gz MEGFJXNXBACFIP-UHFFFAOYSA-N -1 3 368.484 3.493 20 0 FGADHM COc1cccc(C(F)(F)C(=O)[N-][C@H](C)c2nc(C(C)(C)C)no2)c1 ZINC000906849574 744165617 /nfs/dbraw/zinc/16/56/17/744165617.db2.gz JKLAVMKBKXJULH-SNVBAGLBSA-N -1 3 353.369 3.345 20 0 FGADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N[C@@]2(C)CCO[C@H]2C2CC2)s1 ZINC000907351525 744206103 /nfs/dbraw/zinc/20/61/03/744206103.db2.gz RUORIPVYLPASAZ-SJCJKPOMSA-N -1 3 367.471 3.178 20 0 FGADHM O=C(NCC(F)(F)c1ccc(Cl)cc1)c1cnc(C2CC2)[n-]c1=O ZINC000908168203 744267274 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O=C(Cc1cncc([O-])c1)N1CCC(c2c[nH]c3ccc(F)cc32)CC1 ZINC000570863329 505598224 /nfs/dbraw/zinc/59/82/24/505598224.db2.gz KXFGCKWTHLQNLA-UHFFFAOYSA-N -1 3 353.397 3.356 20 0 FGADHM C[C@@H](c1ccccc1)[C@@H](O)CN(CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000568067324 505607875 /nfs/dbraw/zinc/60/78/75/505607875.db2.gz ROLNZJFEZNANDH-LIRRHRJNSA-N -1 3 363.404 3.406 20 0 FGADHM O=C([O-])CN(CCc1ccccc1)Cc1cc2c(cc1Cl)OCCO2 ZINC000568067930 505608077 /nfs/dbraw/zinc/60/80/77/505608077.db2.gz BPNQACPDJBYMSO-UHFFFAOYSA-N -1 3 361.825 3.241 20 0 FGADHM C[C@@H](CNC(=O)c1c[n-]nc1-c1ccccn1)Oc1cccc(Cl)c1 ZINC000568070808 505608619 /nfs/dbraw/zinc/60/86/19/505608619.db2.gz XORJVIMIIAYOFA-LBPRGKRZSA-N -1 3 356.813 3.322 20 0 FGADHM CCN(CCNC(=O)c1cc(SC)ccc1[O-])CCC(F)(F)F ZINC000613973594 507322589 /nfs/dbraw/zinc/32/25/89/507322589.db2.gz BCKIGXYYPIJXGN-UHFFFAOYSA-N -1 3 350.406 3.118 20 0 FGADHM O=C(c1c[n-]c2c(OC(F)(F)F)cccc2c1=O)N1CCC[C@@H]1CF ZINC000576853220 505609442 /nfs/dbraw/zinc/60/94/42/505609442.db2.gz 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ZINC000116897068 494868489 /nfs/dbraw/zinc/86/84/89/494868489.db2.gz RNMOZZRBBIVDCZ-AWEZNQCLSA-N -1 3 365.389 3.144 20 0 FGADHM Cc1cccc2c(=O)n(CC(=O)Nc3cc(Cl)cc(C)c3[O-])cnc12 ZINC000116980706 494879297 /nfs/dbraw/zinc/87/92/97/494879297.db2.gz XWSXCIAAVNRXBT-UHFFFAOYSA-N -1 3 357.797 3.011 20 0 FGADHM COCCCOc1ccc(C(=O)Nc2cc(Cl)cc(C)c2[O-])cn1 ZINC000116980518 494879835 /nfs/dbraw/zinc/87/98/35/494879835.db2.gz QBCTXYIFDAWUES-UHFFFAOYSA-N -1 3 350.802 3.417 20 0 FGADHM Cc1ccccc1CN(C)C(=O)[C@@H](C)Sc1n[n-]c(-c2ccccn2)n1 ZINC000117114070 494891661 /nfs/dbraw/zinc/89/16/61/494891661.db2.gz YCMYVNYRNHJPLY-CQSZACIVSA-N -1 3 367.478 3.314 20 0 FGADHM O=C(CSc1n[n-]c(-c2ccccn2)n1)N1CCC[C@@H]2CCCC[C@H]21 ZINC000117113635 494891768 /nfs/dbraw/zinc/89/17/68/494891768.db2.gz KCTXMQWLTWGNMX-DZGCQCFKSA-N -1 3 357.483 3.140 20 0 FGADHM C[C@H](Sc1n[n-]c(-c2ccccn2)n1)C(=O)N(C)Cc1cccc(F)c1 ZINC000117112477 494892146 /nfs/dbraw/zinc/89/21/46/494892146.db2.gz NULKOICYXHRFAI-LBPRGKRZSA-N -1 3 371.441 3.145 20 0 FGADHM CC(C)[C@@H](Sc1n[n-]c(-c2ccccn2)n1)C(=O)N1CCCC[C@@H]1C ZINC000117114012 494892516 /nfs/dbraw/zinc/89/25/16/494892516.db2.gz WIUZVSDKQUNYEO-DZGCQCFKSA-N -1 3 359.499 3.384 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3C)c(C)c1C ZINC000117229696 494902550 /nfs/dbraw/zinc/90/25/50/494902550.db2.gz UTVTYUBAQKPLSJ-UHFFFAOYSA-N -1 3 374.462 3.022 20 0 FGADHM Cc1ccc([O-])c(C(=O)N2CCC(C3N=NC(=S)N3C(C)C)CC2)c1 ZINC000109689174 494908842 /nfs/dbraw/zinc/90/88/42/494908842.db2.gz TYHGXTGVXGQNQT-UHFFFAOYSA-N -1 3 360.483 3.182 20 0 FGADHM COCCN(CCCc1ccccc1)C(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000122018387 494910118 /nfs/dbraw/zinc/91/01/18/494910118.db2.gz BWQVJUOLZFFPNS-UHFFFAOYSA-N -1 3 370.449 3.072 20 0 FGADHM CC(C)n1cnc(S(=O)(=O)[N-][C@H]2CCCc3c(F)cc(F)cc32)c1 ZINC000580397914 505749702 /nfs/dbraw/zinc/74/97/02/505749702.db2.gz MNEDXUYWLYTTDE-HNNXBMFYSA-N -1 3 355.410 3.098 20 0 FGADHM CN(C)c1ccc([N-]S(=O)(=O)Cc2cccc(C(F)(F)F)c2)nc1 ZINC000127306124 494925866 /nfs/dbraw/zinc/92/58/66/494925866.db2.gz UYDUIJGOJSVEKV-UHFFFAOYSA-N -1 3 359.373 3.108 20 0 FGADHM Cc1cc(C)n(Cc2ccc(C(=O)NCc3ccc([O-])c(F)c3)cc2)n1 ZINC000132816637 494928548 /nfs/dbraw/zinc/92/85/48/494928548.db2.gz YAALYUMIOIDUFD-UHFFFAOYSA-N -1 3 353.397 3.323 20 0 FGADHM Cc1cccc(Cl)c1NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000132818897 494928713 /nfs/dbraw/zinc/92/87/13/494928713.db2.gz TYGPFHZKPQBSOE-UHFFFAOYSA-N -1 3 373.840 3.344 20 0 FGADHM C[C@@H](Sc1ccccc1Cl)C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000109875931 494928827 /nfs/dbraw/zinc/92/88/27/494928827.db2.gz WBOTXGBDHKDKJP-LLVKDONJSA-N -1 3 373.869 3.317 20 0 FGADHM C[C@@H](Sc1ccccc1Cl)C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000109875931 494928830 /nfs/dbraw/zinc/92/88/30/494928830.db2.gz WBOTXGBDHKDKJP-LLVKDONJSA-N -1 3 373.869 3.317 20 0 FGADHM CCc1ccc([O-])c(C(=O)N[C@@H](c2nccn2C)c2ccc(F)cc2)c1 ZINC000093910573 494934312 /nfs/dbraw/zinc/93/43/12/494934312.db2.gz AZTVWROKLDLXNG-GOSISDBHSA-N -1 3 353.397 3.347 20 0 FGADHM O=S(=O)([N-][C@H](c1ccccc1)C(F)(F)F)c1cccc2c1OCC2 ZINC000571512494 505750946 /nfs/dbraw/zinc/75/09/46/505750946.db2.gz CYOWWZAJFUWWHY-OAHLLOKOSA-N -1 3 357.353 3.203 20 0 FGADHM O=S(=O)([N-][C@@H](Cc1ccccc1)c1ccccc1F)c1ccccn1 ZINC000574343419 505751103 /nfs/dbraw/zinc/75/11/03/505751103.db2.gz FMQQRCVUBZKPAX-SFHVURJKSA-N -1 3 356.422 3.483 20 0 FGADHM O=C(CCc1ccc(OC(F)F)cc1)Nc1nnc(-c2ccccn2)[n-]1 ZINC000127467317 494948406 /nfs/dbraw/zinc/94/84/06/494948406.db2.gz IFQGUOWXVMAVIC-UHFFFAOYSA-N -1 3 359.336 3.039 20 0 FGADHM O=C(CCc1ccc(OC(F)F)cc1)Nc1nc(-c2ccccn2)n[n-]1 ZINC000127467317 494948411 /nfs/dbraw/zinc/94/84/11/494948411.db2.gz IFQGUOWXVMAVIC-UHFFFAOYSA-N -1 3 359.336 3.039 20 0 FGADHM O=C(CCc1ccc(OC(F)F)cc1)Nc1n[n-]c(-c2ccccn2)n1 ZINC000127467317 494948413 /nfs/dbraw/zinc/94/84/13/494948413.db2.gz IFQGUOWXVMAVIC-UHFFFAOYSA-N -1 3 359.336 3.039 20 0 FGADHM CC(C)c1cccc(OCC(=O)[N-]c2nncn2Cc2ccccc2)c1 ZINC000117735281 494950806 /nfs/dbraw/zinc/95/08/06/494950806.db2.gz CSFOPTQGFQSSAX-UHFFFAOYSA-N -1 3 350.422 3.467 20 0 FGADHM Cc1cc(C)n(-c2ccc(Cl)c(C(=O)NCc3ccc([O-])c(F)c3)n2)n1 ZINC000132991220 494953811 /nfs/dbraw/zinc/95/38/11/494953811.db2.gz GVAUKNCBWISFQN-UHFFFAOYSA-N -1 3 374.803 3.312 20 0 FGADHM O=C(CSc1ccc2c(c1)CCC2)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000127512223 494954534 /nfs/dbraw/zinc/95/45/34/494954534.db2.gz ZMQHNWOURRDLEJ-UHFFFAOYSA-N -1 3 365.462 3.010 20 0 FGADHM O=C(CSc1ccc2c(c1)CCC2)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000127512223 494954539 /nfs/dbraw/zinc/95/45/39/494954539.db2.gz ZMQHNWOURRDLEJ-UHFFFAOYSA-N -1 3 365.462 3.010 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)N[C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000133043131 494960965 /nfs/dbraw/zinc/96/09/65/494960965.db2.gz XZGYBPORYLIJAN-MAUKXSAKSA-N -1 3 358.413 3.498 20 0 FGADHM O=C(Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)c1ccccc1Cl ZINC000133067536 494963912 /nfs/dbraw/zinc/96/39/12/494963912.db2.gz HWCLAAIRWPYZEE-UHFFFAOYSA-N -1 3 368.817 3.172 20 0 FGADHM COc1cccc(C(=O)N(Cc2ccccc2)CC2CCOCC2)c1[O-] ZINC000110392429 494976047 /nfs/dbraw/zinc/97/60/47/494976047.db2.gz UTJZQCSIPIBPRH-UHFFFAOYSA-N -1 3 355.434 3.470 20 0 FGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(NC(=O)[C@@H]2CC=CCC2)ccc1F ZINC000133229436 494987868 /nfs/dbraw/zinc/98/78/68/494987868.db2.gz XHQCMENYPBBYAD-GFCCVEGCSA-N -1 3 354.447 3.197 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H]2c2cccc(N(C)C)c2)c1 ZINC000122614976 495003992 /nfs/dbraw/zinc/00/39/92/495003992.db2.gz KBWUFHYGJXVQPS-LJQANCHMSA-N -1 3 367.449 3.394 20 0 FGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]CC(=O)C(C)(C)C)s2)cs1 ZINC000133387927 495008395 /nfs/dbraw/zinc/00/83/95/495008395.db2.gz NPLABHVVKMBSQO-UHFFFAOYSA-N -1 3 358.510 3.074 20 0 FGADHM O=C(Nc1cnn(C[C@@H]2CCCO2)c1)c1c[n-]nc1-c1cccc(Cl)c1 ZINC000122654870 495010884 /nfs/dbraw/zinc/01/08/84/495010884.db2.gz ABAOYWHEVOQQJH-HNNXBMFYSA-N -1 3 371.828 3.358 20 0 FGADHM Cn1cc([C@@H]2N(C(=O)c3cc([O-])ccc3C(F)(F)F)CC2(C)C)cn1 ZINC000574365911 505755690 /nfs/dbraw/zinc/75/56/90/505755690.db2.gz KNNPVHFEYXRLSG-AWEZNQCLSA-N -1 3 353.344 3.368 20 0 FGADHM O=C(Cc1csc(NC(=O)c2cccc([O-])c2)n1)NC1CCCCC1 ZINC000118754446 495032149 /nfs/dbraw/zinc/03/21/49/495032149.db2.gz GWOWZMQGVNPSJW-UHFFFAOYSA-N -1 3 359.451 3.092 20 0 FGADHM O=S(=O)([N-]Cc1ccn(-c2ccccc2)n1)c1cccc(Cl)c1F ZINC000097444489 495035757 /nfs/dbraw/zinc/03/57/57/495035757.db2.gz SKKIKNLLGNHWOU-UHFFFAOYSA-N -1 3 365.817 3.143 20 0 FGADHM Cc1cccc(C(=O)N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)c1[O-] ZINC000128176957 495056318 /nfs/dbraw/zinc/05/63/18/495056318.db2.gz QQXAGZRJNNJDOW-UHFFFAOYSA-N -1 3 373.840 3.240 20 0 FGADHM COc1cccc(NC2CCN(Cc3nc4ccsc4c(=O)[n-]3)CC2)c1 ZINC000111304705 495061686 /nfs/dbraw/zinc/06/16/86/495061686.db2.gz GXJLCPRBILQSBA-UHFFFAOYSA-N -1 3 370.478 3.070 20 0 FGADHM COC(=O)c1sc([N-]C(=O)c2cc(-c3cccnc3)on2)nc1C1CC1 ZINC000119032891 495075060 /nfs/dbraw/zinc/07/50/60/495075060.db2.gz KOGDTLUPWAIXRC-UHFFFAOYSA-N -1 3 370.390 3.109 20 0 FGADHM COc1cccc([C@H](C[N-]S(=O)(=O)c2cc3ccccc3o2)N(C)C)c1 ZINC000133894252 495076470 /nfs/dbraw/zinc/07/64/70/495076470.db2.gz VKCBFHUJXOGKEW-KRWDZBQOSA-N -1 3 374.462 3.023 20 0 FGADHM COc1cc(C(=O)NCc2ncc(-c3ccc(C)cc3)o2)cc(OC)c1[O-] ZINC000123076161 495076894 /nfs/dbraw/zinc/07/68/94/495076894.db2.gz AJZPPYARUJSKEJ-UHFFFAOYSA-N -1 3 368.389 3.303 20 0 FGADHM CC(C)COC[C@H]([N-]S(=O)(=O)CCc1ccccc1)c1ccco1 ZINC000101576920 495081213 /nfs/dbraw/zinc/08/12/13/495081213.db2.gz DNRKLMNLRKLZFC-KRWDZBQOSA-N -1 3 351.468 3.155 20 0 FGADHM COc1ccc(C(=O)N2CC3(CCOCC3)[C@@H]2c2ccccc2)c([O-])c1 ZINC000574381469 505760449 /nfs/dbraw/zinc/76/04/49/505760449.db2.gz WDWDYBGMGMYACO-IBGZPJMESA-N -1 3 353.418 3.395 20 0 FGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@H]3CCCC[C@@H]3CO)s2)cs1 ZINC000134050177 495098499 /nfs/dbraw/zinc/09/84/99/495098499.db2.gz UYQAKMNUFMOAPS-NEPJUHHUSA-N -1 3 372.537 3.009 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(O[C@@H]3CCCC[C@@H]3O)cc2)cc1 ZINC000134074135 495102195 /nfs/dbraw/zinc/10/21/95/495102195.db2.gz UHFIMMILZPENML-RBUKOAKNSA-N -1 3 361.463 3.478 20 0 FGADHM O=C(CN1C(=O)CCc2ccccc21)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000134143342 495112444 /nfs/dbraw/zinc/11/24/44/495112444.db2.gz AAHXFLHVFUYYGQ-UHFFFAOYSA-N -1 3 364.323 3.329 20 0 FGADHM CCNc1nc(C(=O)[N-]c2nnc(Cc3ccccc3F)s2)cs1 ZINC000134152645 495114167 /nfs/dbraw/zinc/11/41/67/495114167.db2.gz NRYVACSWISYAEX-UHFFFAOYSA-N -1 3 363.443 3.409 20 0 FGADHM CC[C@@H](C)[C@](C)(O)C[N-]S(=O)(=O)c1ccc(-c2csc(C)n2)s1 ZINC000119195126 495115113 /nfs/dbraw/zinc/11/51/13/495115113.db2.gz SLOOQKJTOPWMFJ-MEBBXXQBSA-N -1 3 374.553 3.255 20 0 FGADHM Cc1csc(-c2cccc(NC(=O)CCc3c(C)nc(C)[n-]c3=O)c2)n1 ZINC000102299809 495128488 /nfs/dbraw/zinc/12/84/88/495128488.db2.gz OGPGKKUFGZROQS-UHFFFAOYSA-N -1 3 368.462 3.390 20 0 FGADHM CCc1ccc(S(=O)(=O)[N-]c2ccc([C@H](C)N3CCOCC3)cc2)cc1 ZINC000111994824 495135111 /nfs/dbraw/zinc/13/51/11/495135111.db2.gz NBOBMJNEKLPEFP-INIZCTEOSA-N -1 3 374.506 3.443 20 0 FGADHM Cn1c(=O)oc2ccc(NC(=O)c3c[n-]nc3-c3ccc(Cl)cc3)cc21 ZINC000102481756 495138882 /nfs/dbraw/zinc/13/88/82/495138882.db2.gz CNDIQTQCMVRBRH-UHFFFAOYSA-N -1 3 368.780 3.427 20 0 FGADHM O=C(NCc1ccccc1)NC1(C(=O)Nc2cccc([O-])c2F)CCCC1 ZINC000128761032 495146801 /nfs/dbraw/zinc/14/68/01/495146801.db2.gz TVQARZBJIWDZQO-UHFFFAOYSA-N -1 3 371.412 3.282 20 0 FGADHM COC(=O)CCc1nnc([N-]C(=O)c2cc(Cl)ccc2Cl)s1 ZINC000134432437 495148697 /nfs/dbraw/zinc/14/86/97/495148697.db2.gz WOJDSFLXSFVPKB-UHFFFAOYSA-N -1 3 360.222 3.203 20 0 FGADHM COCCOc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2Cl)cc1 ZINC000102748842 495158350 /nfs/dbraw/zinc/15/83/50/495158350.db2.gz ABYLAPVVLYUCQS-UHFFFAOYSA-N -1 3 359.806 3.305 20 0 FGADHM CC[C@@H](C)N(Cc1ccccc1)C(=O)C(=O)[N-]c1sccc1C(=O)OC ZINC000119406448 495160247 /nfs/dbraw/zinc/16/02/47/495160247.db2.gz JHUPGPTZVVNLHK-CYBMUJFWSA-N -1 3 374.462 3.301 20 0 FGADHM Cn1c(SCC(=O)Nc2ccc([O-])cc2F)nnc1-c1cccs1 ZINC000119431315 495166039 /nfs/dbraw/zinc/16/60/39/495166039.db2.gz PCMDKLJULCSPAP-UHFFFAOYSA-N -1 3 364.427 3.119 20 0 FGADHM O=C(c1c[n-]c2ccccc2c1=O)N1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000102941541 495175044 /nfs/dbraw/zinc/17/50/44/495175044.db2.gz DQIVOILBIVLSCE-KRWDZBQOSA-N -1 3 362.385 3.234 20 0 FGADHM CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1cc(-c2nccn2C)[n-]n1 ZINC000119517521 495180828 /nfs/dbraw/zinc/18/08/28/495180828.db2.gz BTQSXMNCGDHGIO-CYBMUJFWSA-N -1 3 359.817 3.260 20 0 FGADHM CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1cc(-c2nccn2C)n[n-]1 ZINC000119517521 495180833 /nfs/dbraw/zinc/18/08/33/495180833.db2.gz BTQSXMNCGDHGIO-CYBMUJFWSA-N -1 3 359.817 3.260 20 0 FGADHM O=C(Cc1cccc(OC(F)(F)F)c1)Nc1nnc(-c2ccco2)[n-]1 ZINC000119751465 495233298 /nfs/dbraw/zinc/23/32/98/495233298.db2.gz YERDJWLQAOMBAT-UHFFFAOYSA-N -1 3 352.272 3.145 20 0 FGADHM O=C(Cc1cccc(OC(F)(F)F)c1)Nc1nc(-c2ccco2)n[n-]1 ZINC000119751465 495233300 /nfs/dbraw/zinc/23/33/00/495233300.db2.gz YERDJWLQAOMBAT-UHFFFAOYSA-N -1 3 352.272 3.145 20 0 FGADHM O=C(Cc1cccc(OC(F)(F)F)c1)Nc1n[n-]c(-c2ccco2)n1 ZINC000119751465 495233301 /nfs/dbraw/zinc/23/33/01/495233301.db2.gz YERDJWLQAOMBAT-UHFFFAOYSA-N -1 3 352.272 3.145 20 0 FGADHM O=C(c1c[n-]c2ccccc2c1=O)N(Cc1ccccc1)C[C@@H]1CCCO1 ZINC000129380797 495236767 /nfs/dbraw/zinc/23/67/67/495236767.db2.gz NCTUFWFTCUBETO-KRWDZBQOSA-N -1 3 362.429 3.350 20 0 FGADHM C[C@H](CSc1ccc(F)cc1)C(=O)Nc1cc(-c2nccn2C)[n-]n1 ZINC000119852816 495254544 /nfs/dbraw/zinc/25/45/44/495254544.db2.gz FOCAIMSIFRXRGF-LLVKDONJSA-N -1 3 359.430 3.316 20 0 FGADHM C[C@H](CSc1ccc(F)cc1)C(=O)Nc1cc(-c2nccn2C)n[n-]1 ZINC000119852816 495254547 /nfs/dbraw/zinc/25/45/47/495254547.db2.gz FOCAIMSIFRXRGF-LLVKDONJSA-N -1 3 359.430 3.316 20 0 FGADHM NC(=O)CCSc1ccccc1[N-]C(=O)c1ccc(Br)o1 ZINC000103926435 495260802 /nfs/dbraw/zinc/26/08/02/495260802.db2.gz DRGGRNYHLDZPBI-UHFFFAOYSA-N -1 3 369.240 3.262 20 0 FGADHM Cc1nc2cc(F)ccc2cc1C(=O)Nc1cc(-c2nccn2C)[n-]n1 ZINC000119889654 495263204 /nfs/dbraw/zinc/26/32/04/495263204.db2.gz YGIYQRSXKFJUJY-UHFFFAOYSA-N -1 3 350.357 3.058 20 0 FGADHM Cc1nc2cc(F)ccc2cc1C(=O)Nc1cc(-c2nccn2C)n[n-]1 ZINC000119889654 495263210 /nfs/dbraw/zinc/26/32/10/495263210.db2.gz YGIYQRSXKFJUJY-UHFFFAOYSA-N -1 3 350.357 3.058 20 0 FGADHM CCOC(=O)c1ccc(NC(=O)Cc2csc(-c3ccoc3)n2)c([O-])c1 ZINC000129595048 495267855 /nfs/dbraw/zinc/26/78/55/495267855.db2.gz ZPXZHNQLHJKYDN-UHFFFAOYSA-N -1 3 372.402 3.467 20 0 FGADHM O=C(Nc1ccc([O-])cc1F)[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC000124334137 495271561 /nfs/dbraw/zinc/27/15/61/495271561.db2.gz KOHOLDWLEWYMKH-SECBINFHSA-N -1 3 366.751 3.315 20 0 FGADHM CC(=O)Nc1cc(S(=O)(=O)[N-]c2cc(F)c(F)cc2F)ccc1F ZINC000135317984 495276614 /nfs/dbraw/zinc/27/66/14/495276614.db2.gz VLXBSMCUPZYOOG-UHFFFAOYSA-N -1 3 362.304 3.002 20 0 FGADHM CCSCC[C@@H](C)[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000135343651 495279586 /nfs/dbraw/zinc/27/95/86/495279586.db2.gz HUDIWBKNEDWSLC-MRVPVSSYSA-N -1 3 358.348 3.321 20 0 FGADHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)Nc1cscc1C ZINC000119990053 495283604 /nfs/dbraw/zinc/28/36/04/495283604.db2.gz PXFRXVDGVDXZSU-UHFFFAOYSA-N -1 3 352.437 3.180 20 0 FGADHM O=[S@](Cc1nc(-c2cc(F)c(F)c(F)c2)no1)c1ccc([O-])cc1 ZINC000129806857 495298413 /nfs/dbraw/zinc/29/84/13/495298413.db2.gz NBPKFHLLTRDGIQ-DEOSSOPVSA-N -1 3 354.309 3.167 20 0 FGADHM C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)c1c(F)ccc([O-])c1F ZINC000568767565 505773285 /nfs/dbraw/zinc/77/32/85/505773285.db2.gz YDTRSXNIAYWXRL-CZUORRHYSA-N -1 3 360.404 3.311 20 0 FGADHM C[C@H](NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)c1cccc(C(F)(F)F)c1 ZINC000104823462 495308878 /nfs/dbraw/zinc/30/88/78/495308878.db2.gz HHBRMPJYPALBAC-VIFPVBQESA-N -1 3 362.307 3.080 20 0 FGADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1cnc(-c2ccsc2)s1 ZINC000135552107 495309558 /nfs/dbraw/zinc/30/95/58/495309558.db2.gz ANSYQZVXXZGUQU-UHFFFAOYSA-N -1 3 368.447 3.228 20 0 FGADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1cnc(-c2ccsc2)s1 ZINC000135552107 495309561 /nfs/dbraw/zinc/30/95/61/495309561.db2.gz ANSYQZVXXZGUQU-UHFFFAOYSA-N -1 3 368.447 3.228 20 0 FGADHM O=S(=O)([N-][C@H]1CCCSC1)c1ccc(Br)cc1Cl ZINC000135662436 495323944 /nfs/dbraw/zinc/32/39/44/495323944.db2.gz VCDDWGHSUVVORE-VIFPVBQESA-N -1 3 370.721 3.276 20 0 FGADHM CCCCNc1ccccc1C(=O)NCCCNC(=O)c1cccc([O-])c1 ZINC000130048550 495333251 /nfs/dbraw/zinc/33/32/51/495333251.db2.gz KCJMMUCXAGEGGB-UHFFFAOYSA-N -1 3 369.465 3.154 20 0 FGADHM Cc1ccc(NC(=O)[C@H](NC(=O)NCc2ccccc2)C(C)C)c([O-])c1 ZINC000124780837 495342794 /nfs/dbraw/zinc/34/27/94/495342794.db2.gz YPENMYJGVWTXQB-GOSISDBHSA-N -1 3 355.438 3.163 20 0 FGADHM CC(C)(C)CCCCNC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000105253251 495349448 /nfs/dbraw/zinc/34/94/48/495349448.db2.gz MNCMHLUHFQGIAF-UHFFFAOYSA-N -1 3 361.486 3.076 20 0 FGADHM C[C@H](CC1CCCCC1)C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000114537404 495390595 /nfs/dbraw/zinc/39/05/95/495390595.db2.gz CXFMUJZBFWAUJF-MRXNPFEDSA-N -1 3 358.482 3.283 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]c2cccc(-n3ccnn3)c2)ccc1OC(C)C ZINC000130495301 495401119 /nfs/dbraw/zinc/40/11/19/495401119.db2.gz CQMWIJFCALIWKN-UHFFFAOYSA-N -1 3 372.450 3.164 20 0 FGADHM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc4c(c3)CCCC(=O)N4)ccc2O1 ZINC000106007843 495403121 /nfs/dbraw/zinc/40/31/21/495403121.db2.gz CGTGOGZUWGVPOJ-GFCCVEGCSA-N -1 3 372.446 3.086 20 0 FGADHM O=c1[n-]nc(SCCOc2ccc3ccccc3c2)n1C[C@H]1CCCO1 ZINC000106062972 495408789 /nfs/dbraw/zinc/40/87/89/495408789.db2.gz HAOMYAGFSYFRLT-QGZVFWFLSA-N -1 3 371.462 3.075 20 0 FGADHM Cc1ccsc1[C@@H](CO)[N-]S(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000125224646 495409108 /nfs/dbraw/zinc/40/91/08/495409108.db2.gz SLNXATBXRKHLAP-GFCCVEGCSA-N -1 3 363.863 3.169 20 0 FGADHM Cc1ccc([O-])c(C(=O)NCc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC000106083679 495412221 /nfs/dbraw/zinc/41/22/21/495412221.db2.gz JIBGVCHTOITXAG-CALCHBBNSA-N -1 3 368.477 3.240 20 0 FGADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000136980628 495415034 /nfs/dbraw/zinc/41/50/34/495415034.db2.gz UZUULUFPSHRBHA-OLZOCXBDSA-N -1 3 353.348 3.098 20 0 FGADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000136980628 495415036 /nfs/dbraw/zinc/41/50/36/495415036.db2.gz UZUULUFPSHRBHA-OLZOCXBDSA-N -1 3 353.348 3.098 20 0 FGADHM Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000130593536 495416060 /nfs/dbraw/zinc/41/60/60/495416060.db2.gz IAMGZZZUOSRTRA-INIZCTEOSA-N -1 3 357.454 3.051 20 0 FGADHM Cc1oc(C(N)=O)cc1-c1csc(NC(=O)c2ccc(C)cc2[O-])n1 ZINC000114800382 495427243 /nfs/dbraw/zinc/42/72/43/495427243.db2.gz URTIIADXHOUARK-UHFFFAOYSA-N -1 3 357.391 3.077 20 0 FGADHM CC(C)c1ncc(Cl)c(C(=O)[N-]c2cc(S(C)(=O)=O)ccc2F)n1 ZINC000120651727 495428128 /nfs/dbraw/zinc/42/81/28/495428128.db2.gz DOXJMVGWMSIZNO-UHFFFAOYSA-N -1 3 371.821 3.048 20 0 FGADHM C[C@@H](O)C[C@@H](C)C[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000120742057 495447882 /nfs/dbraw/zinc/44/78/82/495447882.db2.gz FRLNYWKMKPMAIK-RKDXNWHRSA-N -1 3 359.797 3.044 20 0 FGADHM Cc1nn2cccnc2c1C(=O)[N-]c1nnc(-c2cc(C)cc(C)c2)s1 ZINC000115150627 495468385 /nfs/dbraw/zinc/46/83/85/495468385.db2.gz LSPDKJSPTMJRRP-UHFFFAOYSA-N -1 3 364.434 3.425 20 0 FGADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2cnc(C3CCC3)s2)CC1 ZINC000131004665 495478393 /nfs/dbraw/zinc/47/83/93/495478393.db2.gz CTGGOLNQHMJHQC-UHFFFAOYSA-N -1 3 357.479 3.074 20 0 FGADHM CC[C@@H](C)[C@@H](C)NC(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000139713230 495482364 /nfs/dbraw/zinc/48/23/64/495482364.db2.gz LSTZGJAJEMMSCJ-VXGBXAGGSA-N -1 3 357.476 3.013 20 0 FGADHM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3cc(C)ccc3Cl)ccc21 ZINC000131037931 495482897 /nfs/dbraw/zinc/48/28/97/495482897.db2.gz DDMSCHKEPVPOKV-UHFFFAOYSA-N -1 3 364.854 3.358 20 0 FGADHM CCc1cnc(S(=O)(=O)[C@@H](C)C(=O)Nc2ccc(C(C)(C)C)cc2)[n-]1 ZINC000125707893 495486022 /nfs/dbraw/zinc/48/60/22/495486022.db2.gz OGAPOEAJAJZDQH-LBPRGKRZSA-N -1 3 363.483 3.071 20 0 FGADHM CCc1c[n-]c(S(=O)(=O)[C@@H](C)C(=O)Nc2ccc(C(C)(C)C)cc2)n1 ZINC000125707893 495486024 /nfs/dbraw/zinc/48/60/24/495486024.db2.gz OGAPOEAJAJZDQH-LBPRGKRZSA-N -1 3 363.483 3.071 20 0 FGADHM CSc1ccc(Cl)cc1NC(=O)C(=O)NCc1ccc([O-])c(F)c1 ZINC000120964111 495493097 /nfs/dbraw/zinc/49/30/97/495493097.db2.gz AONYFDBNTGHGJK-UHFFFAOYSA-N -1 3 368.817 3.162 20 0 FGADHM CCc1cc(=O)[n-]c(CS[C@H](C)C(=O)NC[C@@H](C)c2ccccc2)n1 ZINC000125774894 495496678 /nfs/dbraw/zinc/49/66/78/495496678.db2.gz PTRUYXGHBAQVCP-ZIAGYGMSSA-N -1 3 359.495 3.286 20 0 FGADHM CCc1cnc(S(=O)(=O)Cc2ncc(-c3ccc(Cl)cc3)o2)[n-]1 ZINC000125781752 495498163 /nfs/dbraw/zinc/49/81/63/495498163.db2.gz QNLLOMODAYGUAT-UHFFFAOYSA-N -1 3 351.815 3.254 20 0 FGADHM CCc1c[n-]c(S(=O)(=O)Cc2ncc(-c3ccc(Cl)cc3)o2)n1 ZINC000125781752 495498166 /nfs/dbraw/zinc/49/81/66/495498166.db2.gz QNLLOMODAYGUAT-UHFFFAOYSA-N -1 3 351.815 3.254 20 0 FGADHM CCCN(CC)c1ccc(C(=O)N=c2[n-]n(C)cc2Br)cc1 ZINC000577754261 505786070 /nfs/dbraw/zinc/78/60/70/505786070.db2.gz ABVMVIHSMNKTQF-UHFFFAOYSA-N -1 3 365.275 3.093 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)C(=O)Nc1ccccc1-c1ccccc1 ZINC000121008365 495502250 /nfs/dbraw/zinc/50/22/50/495502250.db2.gz BHFBKUBBFGGIOD-UHFFFAOYSA-N -1 3 364.376 3.453 20 0 FGADHM CCC[C@@H](NC(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1)c1ccccc1 ZINC000141695294 495509292 /nfs/dbraw/zinc/50/92/92/495509292.db2.gz DLMBEQQPNRAEFN-UKRRQHHQSA-N -1 3 366.508 3.073 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@H]1CCCC[C@@H]1C(C)(C)C ZINC000141774838 495509684 /nfs/dbraw/zinc/50/96/84/495509684.db2.gz MRHRXUZHELJALH-IHRRRGAJSA-N -1 3 372.556 3.136 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-][C@@H](C)Cc1nc2ccccc2s1 ZINC000154197119 495542111 /nfs/dbraw/zinc/54/21/11/495542111.db2.gz XKQAWOODYSSSCG-JTQLQIEISA-N -1 3 368.505 3.276 20 0 FGADHM Cc1csc([C@@H]([N-]S(=O)(=O)c2cnn(-c3ccccc3)c2)C2CC2)n1 ZINC000173469009 495544343 /nfs/dbraw/zinc/54/43/43/495544343.db2.gz GGRNEYLSUVTMLA-INIZCTEOSA-N -1 3 374.491 3.067 20 0 FGADHM Cc1nc([C@@H](NCc2nc(C)ccc2[O-])c2ccc(Cl)c(F)c2)no1 ZINC000154230290 495551662 /nfs/dbraw/zinc/55/16/62/495551662.db2.gz XFUAFSOWDHBDCC-INIZCTEOSA-N -1 3 362.792 3.459 20 0 FGADHM O=C(Nc1cc(Br)ccc1[O-])c1cc(OCC(F)F)ccn1 ZINC000182445309 495566436 /nfs/dbraw/zinc/56/64/36/495566436.db2.gz OZHUUYPMLKCULI-UHFFFAOYSA-N -1 3 373.153 3.446 20 0 FGADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H](C)c2cscn2)s1 ZINC000577768420 505789614 /nfs/dbraw/zinc/78/96/14/505789614.db2.gz BCHWHXTWLNBPFH-ZETCQYMHSA-N -1 3 367.315 3.315 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CCCC[C@H]2C)c1 ZINC000179386670 495570459 /nfs/dbraw/zinc/57/04/59/495570459.db2.gz MYRMNDNRXXDVBP-BDJLRTHQSA-N -1 3 357.410 3.249 20 0 FGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CCCc2occc21 ZINC000158705161 495571996 /nfs/dbraw/zinc/57/19/96/495571996.db2.gz RHFFUYLEZOMEFA-ZDUSSCGKSA-N -1 3 369.826 3.076 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NC[C@H]2CCCC[C@H]2C)c1 ZINC000185441606 495578247 /nfs/dbraw/zinc/57/82/47/495578247.db2.gz YPZDIQVBKZBRLL-TZMCWYRMSA-N -1 3 371.437 3.497 20 0 FGADHM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccncc2Br)c1 ZINC000147758809 495578350 /nfs/dbraw/zinc/57/83/50/495578350.db2.gz IDHFBPLJYHUXCF-UHFFFAOYSA-N -1 3 369.240 3.238 20 0 FGADHM O=C(Nc1cc(F)c(F)c(F)c1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000182494717 495585574 /nfs/dbraw/zinc/58/55/74/495585574.db2.gz XZRZXGQFYSPHQB-CQSZACIVSA-N -1 3 364.323 3.053 20 0 FGADHM CCOC[C@H]1CCN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)C1 ZINC000176323114 495600419 /nfs/dbraw/zinc/60/04/19/495600419.db2.gz WBZNMHDZCDGEOT-LBPRGKRZSA-N -1 3 359.451 3.103 20 0 FGADHM Cc1cnc(C[N-]S(=O)(=O)c2ccc(C)c(C(F)(F)F)c2)s1 ZINC000173635805 495626028 /nfs/dbraw/zinc/62/60/28/495626028.db2.gz MFHSLTFQHNWWBQ-UHFFFAOYSA-N -1 3 350.387 3.257 20 0 FGADHM COc1ccc([C@@H](NC(=O)c2cccc(OC)c2[O-])C(F)(F)F)cc1 ZINC000182596411 495629494 /nfs/dbraw/zinc/62/94/94/495629494.db2.gz XURUEBPXRNWBFJ-OAHLLOKOSA-N -1 3 355.312 3.443 20 0 FGADHM CCOCCOc1ccc(Cl)cc1NC(=O)c1ccc2n[n-]nc2c1 ZINC000170868746 495633908 /nfs/dbraw/zinc/63/39/08/495633908.db2.gz QBQWTARHPPKTMJ-UHFFFAOYSA-N -1 3 360.801 3.279 20 0 FGADHM CCOc1ccccc1N1C[C@@H](C(=O)Nc2c(C)cccc2[O-])CC1=O ZINC000179561114 495642093 /nfs/dbraw/zinc/64/20/93/495642093.db2.gz RGVDFAHWNYWKMI-AWEZNQCLSA-N -1 3 354.406 3.091 20 0 FGADHM CCOC(=O)c1ccsc1[N-]C(=O)C(=O)N1C[C@H](C)[C@H]1c1ccccc1 ZINC000173675013 495644067 /nfs/dbraw/zinc/64/40/67/495644067.db2.gz MORQSQWVGSPJQX-WFASDCNBSA-N -1 3 372.446 3.083 20 0 FGADHM COCCOc1ccccc1C(=O)Nc1cc(Br)ccc1[O-] ZINC000176434705 495650051 /nfs/dbraw/zinc/65/00/51/495650051.db2.gz YSZCVXYZEBJNFM-UHFFFAOYSA-N -1 3 366.211 3.432 20 0 FGADHM O=S(=O)(C[C@H]1CCCCO1)[N-]c1ccc(Br)cc1Cl ZINC000150838489 495651330 /nfs/dbraw/zinc/65/13/30/495651330.db2.gz XQMFCUMRJQKIGF-SNVBAGLBSA-N -1 3 368.680 3.413 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NC2[C@H](C)CCC[C@H]2C)c1 ZINC000182704705 495670233 /nfs/dbraw/zinc/67/02/33/495670233.db2.gz MTAQMGPFYWDFII-VXGBXAGGSA-N -1 3 371.437 3.495 20 0 FGADHM Cc1oc(-c2ccsc2)nc1CC(=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000171024707 495695041 /nfs/dbraw/zinc/69/50/41/495695041.db2.gz ZQGWJEGSYGHUOA-UHFFFAOYSA-N -1 3 366.406 3.073 20 0 FGADHM Cc1oc(-c2ccsc2)nc1CC(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000171024707 495695042 /nfs/dbraw/zinc/69/50/42/495695042.db2.gz 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COc1cc(C(=O)N(Cc2ccco2)CC(F)(F)F)cc(OC)c1[O-] ZINC000186725440 496123996 /nfs/dbraw/zinc/12/39/96/496123996.db2.gz YQLQVKIBZLQVFJ-UHFFFAOYSA-N -1 3 359.300 3.207 20 0 FGADHM CC[C@@H](C)CN(C)C(=O)C(=O)[N-]c1scc(CC(C)C)c1C(=O)OC ZINC000174856010 496135034 /nfs/dbraw/zinc/13/50/34/496135034.db2.gz TVJKIZAPWWDQOA-GFCCVEGCSA-N -1 3 368.499 3.176 20 0 FGADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N[C@@H]1CC=CCC1 ZINC000183864081 496140427 /nfs/dbraw/zinc/14/04/27/496140427.db2.gz AUFJRYBIUHTWQI-UYAOXDASSA-N -1 3 364.445 3.478 20 0 FGADHM CCc1ccc(C(C)(C)C(=O)N=c2[n-]n(C)cc2Br)cc1 ZINC000577953527 505826206 /nfs/dbraw/zinc/82/62/06/505826206.db2.gz BPPTVUFCDLEQMF-UHFFFAOYSA-N -1 3 350.260 3.083 20 0 FGADHM O=C([O-])c1ccccc1OCCN1CC[C@@H](OCCCc2ccccc2)C1 ZINC000183928716 496165201 /nfs/dbraw/zinc/16/52/01/496165201.db2.gz CRRZUWWNQKUHLV-LJQANCHMSA-N -1 3 369.461 3.487 20 0 FGADHM Cc1nc(S(=O)(=O)CC(=O)Nc2ccc(C)cc2)[n-]c1-c1ccccc1 ZINC000186844964 496178308 /nfs/dbraw/zinc/17/83/08/496178308.db2.gz KBZBDYXDFIASRA-UHFFFAOYSA-N -1 3 369.446 3.106 20 0 FGADHM Cc1[n-]c(S(=O)(=O)CC(=O)Nc2ccc(C)cc2)nc1-c1ccccc1 ZINC000186844964 496178313 /nfs/dbraw/zinc/17/83/13/496178313.db2.gz KBZBDYXDFIASRA-UHFFFAOYSA-N -1 3 369.446 3.106 20 0 FGADHM Cc1nc(S(=O)(=O)Cc2nc(CCC(C)C)no2)[n-]c1-c1ccccc1 ZINC000186852021 496180993 /nfs/dbraw/zinc/18/09/93/496180993.db2.gz CHHUGORDRCAKHA-UHFFFAOYSA-N -1 3 374.466 3.331 20 0 FGADHM Cc1[n-]c(S(=O)(=O)Cc2nc(CCC(C)C)no2)nc1-c1ccccc1 ZINC000186852021 496180998 /nfs/dbraw/zinc/18/09/98/496180998.db2.gz CHHUGORDRCAKHA-UHFFFAOYSA-N -1 3 374.466 3.331 20 0 FGADHM Cc1nc(S(=O)(=O)[C@@H](C)c2nc(C(C)C)no2)[n-]c1-c1ccccc1 ZINC000186855516 496182396 /nfs/dbraw/zinc/18/23/96/496182396.db2.gz YTNYRGXOAMDFIS-LBPRGKRZSA-N -1 3 360.439 3.426 20 0 FGADHM O=S(=O)(Cc1coc(-c2c(F)cccc2F)n1)c1cccc([O-])c1 ZINC000183978580 496186619 /nfs/dbraw/zinc/18/66/19/496186619.db2.gz YQDPDOMTTWHGRQ-UHFFFAOYSA-N -1 3 351.330 3.299 20 0 FGADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@H](C)C2CCCC2)cc1Cl ZINC000172165531 496192666 /nfs/dbraw/zinc/19/26/66/496192666.db2.gz QTSVQBUTQMPAPO-SECBINFHSA-N -1 3 362.854 3.295 20 0 FGADHM CC(C)Cn1cnc(S(=O)(=O)[N-][C@@H](c2ccccc2)c2ccncc2)c1 ZINC000174989599 496195696 /nfs/dbraw/zinc/19/56/96/496195696.db2.gz JFLKNFMYKAJZNN-IBGZPJMESA-N -1 3 370.478 3.002 20 0 FGADHM CCCC[C@@H](COC)[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000156246019 496196778 /nfs/dbraw/zinc/19/67/78/496196778.db2.gz KZHCJLMQWSOVGJ-NSHDSACASA-N -1 3 368.268 3.072 20 0 FGADHM CCOC(=O)c1cc(NC(=O)c2sc(-c3cccs3)nc2C)n[n-]1 ZINC000180934842 496205932 /nfs/dbraw/zinc/20/59/32/496205932.db2.gz KFNZOXLXDRTIKJ-UHFFFAOYSA-N -1 3 362.436 3.332 20 0 FGADHM CCOC(=O)c1cc(NC(=O)c2sc(-c3cccs3)nc2C)[n-]n1 ZINC000180934842 496205940 /nfs/dbraw/zinc/20/59/40/496205940.db2.gz KFNZOXLXDRTIKJ-UHFFFAOYSA-N -1 3 362.436 3.332 20 0 FGADHM C[C@@H](CC(=O)c1cccc(Br)c1)C(=O)Nc1ncccc1[O-] ZINC000175024809 496213832 /nfs/dbraw/zinc/21/38/32/496213832.db2.gz CEOQUQIWFLBAQN-JTQLQIEISA-N -1 3 363.211 3.397 20 0 FGADHM Cc1cccc(F)c1S(=O)(=O)[N-]c1cc2c(cc1Cl)OCCO2 ZINC000186925654 496213835 /nfs/dbraw/zinc/21/38/35/496213835.db2.gz GMTLYHBZKVRYER-UHFFFAOYSA-N -1 3 357.790 3.360 20 0 FGADHM COc1ccc([C@H](CO)N(C)C(=O)c2ccc3c(c2[O-])CCCC3)cc1 ZINC000184046417 496216737 /nfs/dbraw/zinc/21/67/37/496216737.db2.gz QDRGEGHDZIWJLD-IBGZPJMESA-N -1 3 355.434 3.085 20 0 FGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2cccc3[nH]ccc32)cc1OC ZINC000175033754 496219003 /nfs/dbraw/zinc/21/90/03/496219003.db2.gz FMPLSDUZUBYTMY-UHFFFAOYSA-N -1 3 373.434 3.190 20 0 FGADHM O=[S@@](Cc1cc2c(cc1Br)OCCO2)c1cccc([O-])c1 ZINC000184056542 496220982 /nfs/dbraw/zinc/22/09/82/496220982.db2.gz DOFBFBFGIGUFCE-NRFANRHFSA-N -1 3 369.236 3.234 20 0 FGADHM O=[S@](CCCCCn1nnc(-c2ccccc2)n1)c1cccc([O-])c1 ZINC000184068129 496224845 /nfs/dbraw/zinc/22/48/45/496224845.db2.gz XSCHFVNDLXKORD-RUZDIDTESA-N -1 3 356.451 3.024 20 0 FGADHM COc1cc(OC)cc(N2CC[C@H]([N-]c3nc4cc(F)ccc4o3)C2=O)c1 ZINC000175049412 496225724 /nfs/dbraw/zinc/22/57/24/496225724.db2.gz DVRMDJXICSKBRB-HNNXBMFYSA-N -1 3 371.368 3.202 20 0 FGADHM C[C@@H](C(=O)Nc1ccccc1[N-]S(C)(=O)=O)c1c(F)cccc1F ZINC000156377825 496228174 /nfs/dbraw/zinc/22/81/74/496228174.db2.gz OXQQTSVFYHYSEZ-SNVBAGLBSA-N -1 3 354.378 3.079 20 0 FGADHM COc1cccc(C(=O)N[C@H](C)c2c(C)nn(CC(F)(F)F)c2C)c1[O-] ZINC000180982759 496228417 /nfs/dbraw/zinc/22/84/17/496228417.db2.gz IFOKQNYNTKBSHK-SECBINFHSA-N -1 3 371.359 3.267 20 0 FGADHM Cc1cc(NC([O-])=NOCc2cccnc2)nn1-c1cccc(Cl)c1 ZINC000184090640 496233077 /nfs/dbraw/zinc/23/30/77/496233077.db2.gz XDONZYQLMHUKKC-UHFFFAOYSA-N -1 3 357.801 3.482 20 0 FGADHM Cc1cc(NC(=O)[N-]OCc2cccnc2)nn1-c1cccc(Cl)c1 ZINC000184090640 496233086 /nfs/dbraw/zinc/23/30/86/496233086.db2.gz XDONZYQLMHUKKC-UHFFFAOYSA-N -1 3 357.801 3.482 20 0 FGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)[C@H](C)Oc1ccccc1Cl ZINC000181014253 496241535 /nfs/dbraw/zinc/24/15/35/496241535.db2.gz XZLSTMUZYQCZCX-JTQLQIEISA-N -1 3 366.801 3.473 20 0 FGADHM CN1CCN(Cc2ccc(C(=O)Nc3cccc(Cl)c3[O-])cc2)CC1 ZINC000172357491 496267194 /nfs/dbraw/zinc/26/71/94/496267194.db2.gz JBTYPLNELVGHTC-UHFFFAOYSA-N -1 3 359.857 3.045 20 0 FGADHM C[C@@H](Oc1ccc(F)cc1Cl)C(=O)[N-]c1nncn1-c1ccccc1 ZINC000181115779 496275325 /nfs/dbraw/zinc/27/53/25/496275325.db2.gz TZWUNBHIYNGKCM-LLVKDONJSA-N -1 3 360.776 3.466 20 0 FGADHM Cc1nc(C)c(CCC(=O)N2CCC(c3ccc(Cl)cc3)CC2)c(=O)[n-]1 ZINC000187122398 496302813 /nfs/dbraw/zinc/30/28/13/496302813.db2.gz WIGQHHBIXOPSDU-UHFFFAOYSA-N -1 3 373.884 3.379 20 0 FGADHM CC(C)(C)C1CN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1 ZINC000571877486 505835921 /nfs/dbraw/zinc/83/59/21/505835921.db2.gz GYOSYTOVGUQDPO-UHFFFAOYSA-N -1 3 363.255 3.409 20 0 FGADHM Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000153000909 496321350 /nfs/dbraw/zinc/32/13/50/496321350.db2.gz RZTINOHAOUQDOD-LBPRGKRZSA-N -1 3 362.499 3.037 20 0 FGADHM Cc1nc(C)c(CC(=O)N(CCc2cccc(F)c2)C2CCCC2)c(=O)[n-]1 ZINC000153059579 496339135 /nfs/dbraw/zinc/33/91/35/496339135.db2.gz QDRJYZJBWTUWOA-UHFFFAOYSA-N -1 3 371.456 3.082 20 0 FGADHM CC(C)[C@@H](C)CNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000172578487 496348671 /nfs/dbraw/zinc/34/86/71/496348671.db2.gz ZYUUZUALSIZMCU-JTQLQIEISA-N -1 3 351.244 3.313 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)N1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC000187211902 496342317 /nfs/dbraw/zinc/34/23/17/496342317.db2.gz GHPNJYFSTVSOAI-QGZVFWFLSA-N -1 3 366.339 3.093 20 0 FGADHM COc1ccc(Br)cc1NC([O-])=NOCCC(F)(F)F ZINC000156838038 496345104 /nfs/dbraw/zinc/34/51/04/496345104.db2.gz JEHCBXWOQWUYJG-UHFFFAOYSA-N -1 3 357.126 3.463 20 0 FGADHM COc1ccc(Br)cc1NC(=O)[N-]OCCC(F)(F)F ZINC000156838038 496345109 /nfs/dbraw/zinc/34/51/09/496345109.db2.gz JEHCBXWOQWUYJG-UHFFFAOYSA-N -1 3 357.126 3.463 20 0 FGADHM Cc1ccc2c(c1)nc(C[N-]S(=O)(=O)c1cc(F)ccc1Cl)n2C ZINC000184351847 496346026 /nfs/dbraw/zinc/34/60/26/496346026.db2.gz WOHXRDIUMPANAN-UHFFFAOYSA-N -1 3 367.833 3.153 20 0 FGADHM CCOc1ccc([C@@H](C)NC(=O)NCc2ccc([O-])c(F)c2)cc1OC ZINC000156859945 496350474 /nfs/dbraw/zinc/35/04/74/496350474.db2.gz ILUGITYUFGGKER-GFCCVEGCSA-N -1 3 362.401 3.499 20 0 FGADHM Cc1cccc(S(=O)(=O)[N-]CCc2nc(C(F)(F)F)cs2)c1F ZINC000181336889 496358555 /nfs/dbraw/zinc/35/85/55/496358555.db2.gz XLCXPMOABNKLKJ-UHFFFAOYSA-N -1 3 368.377 3.130 20 0 FGADHM Cc1nc(N2CCN(C(=O)Cc3ccc([O-])cc3Cl)CC2)sc1C ZINC000153125644 496361232 /nfs/dbraw/zinc/36/12/32/496361232.db2.gz NUOFXOMXJKAYEB-UHFFFAOYSA-N -1 3 365.886 3.010 20 0 FGADHM CC(C)CCC1CCN(C(=O)c2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)CC1 ZINC000162502872 496363449 /nfs/dbraw/zinc/36/34/49/496363449.db2.gz NINMEPNDHXCEKO-NRFANRHFSA-N -1 3 371.481 3.030 20 0 FGADHM CC[C@@H]([N-]S(=O)(=O)c1cnc(-c2ccccc2)nc1)c1nccs1 ZINC000187261109 496365228 /nfs/dbraw/zinc/36/52/28/496365228.db2.gz MZTCQQMFNRREGI-CQSZACIVSA-N -1 3 360.464 3.030 20 0 FGADHM O=C(Nc1ccccc1[O-])C1CCN(Cc2cc(-c3ccco3)on2)CC1 ZINC000172663248 496378241 /nfs/dbraw/zinc/37/82/41/496378241.db2.gz MEEZWOTWZATVFC-UHFFFAOYSA-N -1 3 367.405 3.491 20 0 FGADHM COc1cc(CN2Cc3ccccc3C[C@@H]2C(=O)[O-])ccc1OC(F)F ZINC000569061258 505841952 /nfs/dbraw/zinc/84/19/52/505841952.db2.gz POWVFZRINXNKOC-OAHLLOKOSA-N -1 3 363.360 3.308 20 0 FGADHM Cc1ccc(C)c([C@H]2CN(C(=O)c3ccc4n[n-]nc4c3)[C@H](C)CO2)c1 ZINC000172728268 496405266 /nfs/dbraw/zinc/40/52/66/496405266.db2.gz RTMBGQQERKKQQG-AUUYWEPGSA-N -1 3 350.422 3.177 20 0 FGADHM Cc1nc(-c2ccccc2)sc1NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000184500969 496413515 /nfs/dbraw/zinc/41/35/15/496413515.db2.gz SXSCISWRFNAMQP-UHFFFAOYSA-N -1 3 363.398 3.254 20 0 FGADHM CC(C)c1ccc(NC(=O)NCCCNC(=O)c2cccc([O-])c2)cc1 ZINC000153306714 496414237 /nfs/dbraw/zinc/41/42/37/496414237.db2.gz IYWDZHJBELHRGV-UHFFFAOYSA-N -1 3 355.438 3.457 20 0 FGADHM CCCCS[C@H](C)C(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000178342237 496419352 /nfs/dbraw/zinc/41/93/52/496419352.db2.gz SXMGFAVUHISPDT-CQSZACIVSA-N -1 3 364.511 3.491 20 0 FGADHM COc1ccc([O-])c(C(=O)N2CCN([C@H](C)c3cccc(F)c3)CC2)c1 ZINC000175556349 496440672 /nfs/dbraw/zinc/44/06/72/496440672.db2.gz MDIMUPYUCIQXRZ-CQSZACIVSA-N -1 3 358.413 3.059 20 0 FGADHM O=C(NC1CCCCC1)c1ccc(NC([O-])=NOCc2cccnc2)cc1 ZINC000184577745 496447461 /nfs/dbraw/zinc/44/74/61/496447461.db2.gz FXPUSNYFDZYVBE-UHFFFAOYSA-N -1 3 368.437 3.397 20 0 FGADHM O=C([N-]OCc1cccnc1)Nc1ccc(C(=O)NC2CCCCC2)cc1 ZINC000184577745 496447468 /nfs/dbraw/zinc/44/74/68/496447468.db2.gz FXPUSNYFDZYVBE-UHFFFAOYSA-N -1 3 368.437 3.397 20 0 FGADHM Cc1ccc2cccc(C(=O)Nc3ccc(F)c([N-]S(C)(=O)=O)c3)c2n1 ZINC000172825450 496448588 /nfs/dbraw/zinc/44/85/88/496448588.db2.gz UQFINMBNRHSMQY-UHFFFAOYSA-N -1 3 373.409 3.306 20 0 FGADHM CCC(CC)c1cc(C[N-]S(=O)(=O)c2cc(OC)cc(OC)c2)on1 ZINC000178421092 496449902 /nfs/dbraw/zinc/44/99/02/496449902.db2.gz PJRSIMSAKMKVRE-UHFFFAOYSA-N -1 3 368.455 3.074 20 0 FGADHM O=S(=O)(Cc1ccccc1F)[N-][C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000181592184 496460373 /nfs/dbraw/zinc/46/03/73/496460373.db2.gz DUEVGYUVPIECDK-SJORKVTESA-N -1 3 369.845 3.429 20 0 FGADHM CN(Cc1ccccc1N1CCOCC1)C(=O)Cc1ccc([O-])cc1Cl ZINC000178453169 496462206 /nfs/dbraw/zinc/46/22/06/496462206.db2.gz GKJAVASXIINFOG-UHFFFAOYSA-N -1 3 374.868 3.083 20 0 FGADHM C[C@H](CNC(=O)c1c[n-]c2ccccc2c1=O)Oc1ccccc1Cl ZINC000172882398 496473712 /nfs/dbraw/zinc/47/37/12/496473712.db2.gz INOKYMFFWPHACM-GFCCVEGCSA-N -1 3 356.809 3.379 20 0 FGADHM O=C(NCc1ccc([O-])c(Br)c1)NCc1cc(F)cc(F)c1 ZINC000178496195 496476024 /nfs/dbraw/zinc/47/60/24/496476024.db2.gz RRBQEJSJKRJAAN-UHFFFAOYSA-N -1 3 371.181 3.432 20 0 FGADHM O=C(NCCc1ccsc1)NCc1ccc([O-])c(Br)c1 ZINC000178497075 496476881 /nfs/dbraw/zinc/47/68/81/496476881.db2.gz UJQLYOKCJXNBLF-UHFFFAOYSA-N -1 3 355.257 3.258 20 0 FGADHM C[C@@H](SCc1cc(=O)n2nc(N)[n-]c2n1)c1ccc(Cl)c(Cl)c1 ZINC000172937126 496495494 /nfs/dbraw/zinc/49/54/94/496495494.db2.gz JFVNXSLUUCTVJY-SSDOTTSWSA-N -1 3 370.265 3.301 20 0 FGADHM CCc1cc2c(CN[C@@H](COC)c3ccc(C)o3)cc(=O)oc2cc1[O-] ZINC000184698994 496497986 /nfs/dbraw/zinc/49/79/86/496497986.db2.gz 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ZINC000181754224 496529193 /nfs/dbraw/zinc/52/91/93/496529193.db2.gz NQNVCTFYFJPXIJ-UHFFFAOYSA-N -1 3 360.370 3.101 20 0 FGADHM CCOC(=O)c1cc(NC(=O)c2csc(-c3ccc(F)cc3)n2)[n-]n1 ZINC000181754224 496529198 /nfs/dbraw/zinc/52/91/98/496529198.db2.gz NQNVCTFYFJPXIJ-UHFFFAOYSA-N -1 3 360.370 3.101 20 0 FGADHM CN(C)C(=O)c1ccnc([N-]C(=O)c2cc(-c3cccc(Cl)c3)on2)c1 ZINC000163544398 496530543 /nfs/dbraw/zinc/53/05/43/496530543.db2.gz HLGOPAVEKBJPJZ-UHFFFAOYSA-N -1 3 370.796 3.344 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)[C@H]1CCCO1 ZINC000157755235 496546914 /nfs/dbraw/zinc/54/69/14/496546914.db2.gz VGBPHTOCUBDHDU-NWDGAFQWSA-N -1 3 355.353 3.080 20 0 FGADHM CCCCNC(=O)Cc1noc(-c2cc(Cc3ccccc3)ccc2[O-])n1 ZINC000184829258 496547560 /nfs/dbraw/zinc/54/75/60/496547560.db2.gz ZLCIHJXFSQUAOQ-UHFFFAOYSA-N -1 3 365.433 3.492 20 0 FGADHM Cc1ccc(CC(=O)Nc2nnc(-c3ccco3)[n-]2)cc1Br ZINC000187735285 496551398 /nfs/dbraw/zinc/55/13/98/496551398.db2.gz QJZKDKHJBAHJFT-UHFFFAOYSA-N -1 3 361.199 3.317 20 0 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Cn1ccc2cccc(NC(=O)[C@H]3CCCN3C(=O)c3ccccc3[O-])c21 ZINC000188124165 496693702 /nfs/dbraw/zinc/69/37/02/496693702.db2.gz DLKOXXAGAIFTNL-QGZVFWFLSA-N -1 3 363.417 3.127 20 0 FGADHM CCCc1c(NC(=O)c2ccc3n[n-]nc3c2)cnn1-c1cccc(F)c1 ZINC000182169471 496696060 /nfs/dbraw/zinc/69/60/60/496696060.db2.gz BDOLSBDVVKNGJO-UHFFFAOYSA-N -1 3 364.384 3.488 20 0 FGADHM Cc1nc(C)c(CCC(=O)N2CCC(Cc3ccc(F)cc3)CC2)c(=O)[n-]1 ZINC000263810890 496732077 /nfs/dbraw/zinc/73/20/77/496732077.db2.gz OAPXTYWGWXATDL-UHFFFAOYSA-N -1 3 371.456 3.352 20 0 FGADHM CCOC(=O)c1sc([N-]C(=O)c2snnc2C(C)(C)C)nc1C ZINC000191353258 496734537 /nfs/dbraw/zinc/73/45/37/496734537.db2.gz VGFIRGCHNVXKES-UHFFFAOYSA-N -1 3 354.457 3.030 20 0 FGADHM Cc1ccc(C(=O)N2CCC(NC(=O)Oc3ccccc3)CC2)c([O-])c1C ZINC000263851983 496744463 /nfs/dbraw/zinc/74/44/63/496744463.db2.gz DBIVQENFIFDXGW-UHFFFAOYSA-N -1 3 368.433 3.402 20 0 FGADHM CC(C)(C)OC(=O)C[C@@H](NCc1cccc(OC2CCCC2)c1)C(=O)[O-] ZINC000277373154 496752351 /nfs/dbraw/zinc/75/23/51/496752351.db2.gz QJVKNVRYXYLUTM-QGZVFWFLSA-N -1 3 363.454 3.283 20 0 FGADHM COc1cccc([C@@H](CC(=O)[O-])NCc2cccc3[nH]ccc32)c1OC ZINC000277395342 496759221 /nfs/dbraw/zinc/75/92/21/496759221.db2.gz RPLYQSOZYPUDCM-QGZVFWFLSA-N -1 3 354.406 3.491 20 0 FGADHM O=C(c1ccc(C2SCCCS2)cc1)N1CCc2c(nc[n-]c2=O)C1 ZINC000273271085 496759332 /nfs/dbraw/zinc/75/93/32/496759332.db2.gz RETCZSYIZYOMKO-UHFFFAOYSA-N -1 3 373.503 3.249 20 0 FGADHM CCOc1cc(CN[C@H](CC(=O)[O-])c2cccc(OC)c2)ccc1OC ZINC000277409362 496763058 /nfs/dbraw/zinc/76/30/58/496763058.db2.gz SHYCCJZDFYBQRO-QGZVFWFLSA-N -1 3 359.422 3.408 20 0 FGADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000277418136 496766833 /nfs/dbraw/zinc/76/68/33/496766833.db2.gz HERQVRXYKOEMPQ-CJNGLKHVSA-N -1 3 357.372 3.046 20 0 FGADHM CCCCOc1cc(CN[C@@H](C(=O)[O-])c2ccc(O)cc2)ccc1OC ZINC000277416731 496766994 /nfs/dbraw/zinc/76/69/94/496766994.db2.gz STFFPFLXXJOAIQ-LJQANCHMSA-N -1 3 359.422 3.495 20 0 FGADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3ccc(-n4ccnc4)cc3)cc2)n1 ZINC000194937427 496767497 /nfs/dbraw/zinc/76/74/97/496767497.db2.gz KBLGOPJSYXKXDB-UHFFFAOYSA-N -1 3 371.400 3.183 20 0 FGADHM COc1cc(Br)c(CNCC[C@H](C)CC(=O)[O-])c(OC)c1 ZINC000277431062 496771168 /nfs/dbraw/zinc/77/11/68/496771168.db2.gz UARZUKFIINPRSF-JTQLQIEISA-N -1 3 360.248 3.057 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H]2C(C)C)c1 ZINC000273318134 496772355 /nfs/dbraw/zinc/77/23/55/496772355.db2.gz OZCDIQLRHHUROT-MRXNPFEDSA-N -1 3 357.410 3.202 20 0 FGADHM Cc1ccc2c(CCNC(=O)c3c[n-]c4ccccc4c3=O)cn(C)c2c1 ZINC000188436920 496789933 /nfs/dbraw/zinc/78/99/33/496789933.db2.gz NUJMWRIYWUAPTE-UHFFFAOYSA-N -1 3 359.429 3.301 20 0 FGADHM COc1cccc(-c2nc([C@@H](C)CN(C)C(=O)OC(C)(C)C)no2)c1[O-] ZINC000273381504 496790460 /nfs/dbraw/zinc/79/04/60/496790460.db2.gz FVDBRSAMYDOKSC-NSHDSACASA-N -1 3 363.414 3.421 20 0 FGADHM Cc1cn(-c2c(F)cccc2F)nc1C(=O)NCc1ccc([O-])c(F)c1 ZINC000188450767 496795106 /nfs/dbraw/zinc/79/51/06/496795106.db2.gz QGUZYSPAHQVQAR-UHFFFAOYSA-N -1 3 361.323 3.234 20 0 FGADHM CCc1ccc(C(=O)N(C)[C@H]2CCN(c3ccccc3Cl)C2=O)c([O-])c1 ZINC000191520613 496795999 /nfs/dbraw/zinc/79/59/99/496795999.db2.gz OEVHRUJTNHZAQU-KRWDZBQOSA-N -1 3 372.852 3.486 20 0 FGADHM Cc1ccc([O-])c(CNCc2nnc3c(Cl)cc(C(F)(F)F)cn23)n1 ZINC000264038494 496796510 /nfs/dbraw/zinc/79/65/10/496796510.db2.gz HQWWIDLZJGBBRR-UHFFFAOYSA-N -1 3 371.750 3.100 20 0 FGADHM Cc1cc(F)ccc1-c1ccc(CN[C@H](CN2CCCCC2)C(=O)[O-])o1 ZINC000277512573 496798533 /nfs/dbraw/zinc/79/85/33/496798533.db2.gz YHBFSFWDJCUJAV-GOSISDBHSA-N -1 3 360.429 3.423 20 0 FGADHM C[C@H](CON=C([O-])Nc1ccc2scnc2c1)NC(=O)OC(C)(C)C ZINC000273440193 496807003 /nfs/dbraw/zinc/80/70/03/496807003.db2.gz YGZPPIRCSQJPKP-SNVBAGLBSA-N -1 3 366.443 3.263 20 0 FGADHM C[C@H](CO[N-]C(=O)Nc1ccc2scnc2c1)NC(=O)OC(C)(C)C ZINC000273440193 496807007 /nfs/dbraw/zinc/80/70/07/496807007.db2.gz YGZPPIRCSQJPKP-SNVBAGLBSA-N -1 3 366.443 3.263 20 0 FGADHM CCc1ccc(C(=O)N2CCCN(C(=O)c3cccs3)CC2)c([O-])c1 ZINC000191591151 496824190 /nfs/dbraw/zinc/82/41/90/496824190.db2.gz MVDJPUBYEJUBKT-UHFFFAOYSA-N -1 3 358.463 3.004 20 0 FGADHM CN(CC(=O)[N-]OCc1ccccc1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273559002 496839326 /nfs/dbraw/zinc/83/93/26/496839326.db2.gz WLCKFLDUVSPAOF-PMACEKPBSA-N -1 3 372.440 3.226 20 0 FGADHM O=c1[n-]c(CN2CCC(CO)(Cc3ccccc3)CC2)nc2ccsc21 ZINC000277648908 496840523 /nfs/dbraw/zinc/84/05/23/496840523.db2.gz CVRHUNSLRJYTMC-UHFFFAOYSA-N -1 3 369.490 3.214 20 0 FGADHM COc1ccccc1-c1nnc(S[C@@H](C)c2nc(C)cc(=O)[n-]2)n1C ZINC000269013492 496848781 /nfs/dbraw/zinc/84/87/81/496848781.db2.gz HVNFQCGTEVMRKD-NSHDSACASA-N -1 3 357.439 3.148 20 0 FGADHM COc1ccc2c(c1)[n-]cc(C(=O)N1CCC(c3cc(C)n[nH]3)CC1)c2=O ZINC000273600196 496850860 /nfs/dbraw/zinc/85/08/60/496850860.db2.gz JEDYKLHTAWDYDH-UHFFFAOYSA-N -1 3 366.421 3.000 20 0 FGADHM CC[C@H](C)[C@H]([N-]S(=O)(=O)c1ccc(F)c(NC(C)=O)c1)C(F)(F)F ZINC000277681598 496851758 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CC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccc3c(c2)CC(C)(C)O3)c1 ZINC000267838335 497627064 /nfs/dbraw/zinc/62/70/64/497627064.db2.gz ZUFNVYGEKOYBAP-UHFFFAOYSA-N -1 3 374.462 3.468 20 0 FGADHM C[C@H](NC(=O)[C@H](C)N1CC[C@](C)(C(=O)[O-])C1)c1ccc(Cl)cc1Cl ZINC000262843744 497635338 /nfs/dbraw/zinc/63/53/38/497635338.db2.gz AXVDVTFHZBJDDI-DINDLPBHSA-N -1 3 373.280 3.356 20 0 FGADHM Cc1cccc([C@H](C)C[N-]S(=O)(=O)c2cccnc2C(F)(F)F)c1 ZINC000569374557 505919665 /nfs/dbraw/zinc/91/96/65/505919665.db2.gz VMJPAJAULDZYLV-GFCCVEGCSA-N -1 3 358.385 3.491 20 0 FGADHM O=C(c1cc([O-])ccc1C(F)(F)F)N1CC[C@H](OCc2ccncc2)C1 ZINC000280113131 497653126 /nfs/dbraw/zinc/65/31/26/497653126.db2.gz LJQPQZOWKYSGHS-AWEZNQCLSA-N -1 3 366.339 3.237 20 0 FGADHM CCN(CC(=O)Nc1c(C)cccc1C)C(=O)c1ccc([O-])c(OC)c1 ZINC000276925807 497690188 /nfs/dbraw/zinc/69/01/88/497690188.db2.gz NFSLAQALHNKMHA-UHFFFAOYSA-N -1 3 356.422 3.118 20 0 FGADHM CCC(CC)(CNCc1cccc(Cl)c1S(=O)(=O)CC)C(=O)[O-] ZINC000263047320 497690339 /nfs/dbraw/zinc/69/03/39/497690339.db2.gz KAPYEDXFKNPIOV-UHFFFAOYSA-N -1 3 361.891 3.114 20 0 FGADHM Cc1cc(C(=O)N2CCCN(C(=O)CCc3ccccc3)CC2)ccc1[O-] ZINC000272667830 497696571 /nfs/dbraw/zinc/69/65/71/497696571.db2.gz PRFYZQCAOUFCKO-UHFFFAOYSA-N -1 3 366.461 3.008 20 0 FGADHM CN(C)Cc1ccc(-c2ccccc2CNC(=O)NCCCC(=O)[O-])cc1 ZINC000263126983 497711432 /nfs/dbraw/zinc/71/14/32/497711432.db2.gz YOWWTWPWGUNDLZ-UHFFFAOYSA-N -1 3 369.465 3.079 20 0 FGADHM COc1cc(C(=O)N2CCO[C@H](c3ccc(F)cc3Cl)C2)ccc1[O-] ZINC000277060339 497730373 /nfs/dbraw/zinc/73/03/73/497730373.db2.gz HWZFWYBFSKXBBL-KRWDZBQOSA-N -1 3 365.788 3.407 20 0 FGADHM COCc1cccc(S(=O)(=O)[N-]c2cc(C(C)=O)ccc2Cl)c1 ZINC000191172185 497732107 /nfs/dbraw/zinc/73/21/07/497732107.db2.gz YUCBRJBTBGYWGV-UHFFFAOYSA-N -1 3 353.827 3.490 20 0 FGADHM O=C([O-])[C@H]1CC[C@H](CNCc2cn(-c3ccc(F)c(Cl)c3)nn2)CC1 ZINC000277091628 497738999 /nfs/dbraw/zinc/73/89/99/497738999.db2.gz XTZXJPQRTXKBBK-HAQNSBGRSA-N -1 3 366.824 3.040 20 0 FGADHM CCCc1ncc(C[N-]S(=O)(=O)c2cc3c(c(Cl)c2)O[C@@H](C)C3)o1 ZINC000572253031 505926501 /nfs/dbraw/zinc/92/65/01/505926501.db2.gz HBMWLPKAVIYPCZ-JTQLQIEISA-N -1 3 370.858 3.082 20 0 FGADHM COc1cc(C(=O)N2CCC[C@H]2Cn2c(C)nc3ccccc32)ccc1[O-] ZINC000277123068 497748180 /nfs/dbraw/zinc/74/81/80/497748180.db2.gz ONMSFXNARRARRO-INIZCTEOSA-N -1 3 365.433 3.364 20 0 FGADHM CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)CN2CC[C@@H](C(=O)[O-])C2)cc1 ZINC000246501743 497754512 /nfs/dbraw/zinc/75/45/12/497754512.db2.gz PYCCPFOIGLLIQT-AEFFLSMTSA-N -1 3 358.482 3.054 20 0 FGADHM COCc1nc(S[C@@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)n[n-]1 ZINC000268485194 497762560 /nfs/dbraw/zinc/76/25/60/497762560.db2.gz MHPVUOSVISUUQL-QWRGUYRKSA-N -1 3 360.439 3.055 20 0 FGADHM C[C@H]1C[C@H](C(=O)[O-])CN(CC(=O)N(c2ccccc2)C2CCCCC2)C1 ZINC000263360494 497767521 /nfs/dbraw/zinc/76/75/21/497767521.db2.gz RVIIUBWBJJXZPK-IRXDYDNUSA-N -1 3 358.482 3.395 20 0 FGADHM COc1ccc(CN[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])c(OC)c1OC ZINC000277190135 497770625 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Cc1ccc(-n2ncc(C(=O)[N-]N3CCCCC3=O)c2C2CC2)cc1Cl ZINC000263747460 497812893 /nfs/dbraw/zinc/81/28/93/497812893.db2.gz IBJIGXLAPFTQBE-UHFFFAOYSA-N -1 3 372.856 3.369 20 0 FGADHM Cc1cc([N-]C(=O)[C@H](C)N2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)on1 ZINC000246926065 497820707 /nfs/dbraw/zinc/82/07/07/497820707.db2.gz DHYHFDBIVOZXAX-DZGCQCFKSA-N -1 3 359.401 3.044 20 0 FGADHM O=C(/C=C/c1cncc([O-])c1)N1CCC(COc2ccc(Cl)nc2)CC1 ZINC000364180152 497826684 /nfs/dbraw/zinc/82/66/84/497826684.db2.gz LARDUMFQCKTJST-DAFODLJHSA-N -1 3 373.840 3.166 20 0 FGADHM CC1(C)CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CC[S@@]1=O ZINC000333954906 497829215 /nfs/dbraw/zinc/82/92/15/497829215.db2.gz FTRIZXWBIFKLSK-SANMLTNESA-N -1 3 371.502 3.356 20 0 FGADHM Cc1cc(C)c2[n-]cc(C(=O)N3CC4(CCOCC4)[C@H]3C(C)C)c(=O)c2c1 ZINC000333982557 497838112 /nfs/dbraw/zinc/83/81/12/497838112.db2.gz CYOMHNAGZBSLSA-HXUWFJFHSA-N -1 3 368.477 3.422 20 0 FGADHM CCC[C@@](C)(CC)c1nc(-c2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)no1 ZINC000575167248 505935447 /nfs/dbraw/zinc/93/54/47/505935447.db2.gz WKSYFCXLPQFSGT-RTBURBONSA-N -1 3 356.426 3.259 20 0 FGADHM C[C@H]1CN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C[C@@]2(CCOC2)O1 ZINC000280667889 497850374 /nfs/dbraw/zinc/85/03/74/497850374.db2.gz VODKHUQRVJIVTG-KSFYIVLOSA-N -1 3 367.445 3.003 20 0 FGADHM CC[C@]1(CNC(=O)NCc2ccc([O-])c(F)c2)OCCc2ccccc21 ZINC000575225999 505946353 /nfs/dbraw/zinc/94/63/53/505946353.db2.gz IMMPWOJHVPQGAF-HXUWFJFHSA-N -1 3 358.413 3.209 20 0 FGADHM CS(=O)(=O)[N-]c1ccc(C(=O)N[C@@H]2CCCCC23CCCC3)cc1 ZINC000329728123 497882663 /nfs/dbraw/zinc/88/26/63/497882663.db2.gz HCKKBFDRXLWRHT-MRXNPFEDSA-N -1 3 350.484 3.291 20 0 FGADHM O=c1nc(CN2CCOCC(F)(F)C2)[n-]c2scc(-c3ccco3)c21 ZINC000288786151 497900025 /nfs/dbraw/zinc/90/00/25/497900025.db2.gz JSDTXWPLKDHHBP-UHFFFAOYSA-N -1 3 367.377 3.124 20 0 FGADHM Cc1c(C(=O)Nc2c([O-])ccc(Br)c2C)nnn1C(C)C ZINC000296038329 497900545 /nfs/dbraw/zinc/90/05/45/497900545.db2.gz MFMDQUVJWMDQRL-UHFFFAOYSA-N -1 3 353.220 3.196 20 0 FGADHM C[C@H]1C[C@H](N(C)C(=O)C(=O)c2ccc([O-])cc2)CCN1Cc1ccccc1 ZINC000280823974 497912698 /nfs/dbraw/zinc/91/26/98/497912698.db2.gz SBRAUPKMJXYKBK-QFBILLFUSA-N -1 3 366.461 3.086 20 0 FGADHM COc1ccc(Br)c(CN2C[C@@H]3CCC[C@H]3[C@H]2C(=O)[O-])c1 ZINC000300421915 497930438 /nfs/dbraw/zinc/93/04/38/497930438.db2.gz TWGZZNDITXGAJK-ZBINZKHDSA-N -1 3 354.244 3.143 20 0 FGADHM COc1cccc(OC)c1S(=O)(=O)[N-]C[C@@H]1CCCCC(F)(F)C1 ZINC000292237003 497934903 /nfs/dbraw/zinc/93/49/03/497934903.db2.gz ISGCTFTVLICEDX-GFCCVEGCSA-N -1 3 363.426 3.198 20 0 FGADHM CCC1(CC)CN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)CC[S@@]1=O ZINC000329879010 497937454 /nfs/dbraw/zinc/93/74/54/497937454.db2.gz LQSOOZUNRPGCND-SANMLTNESA-N -1 3 373.478 3.205 20 0 FGADHM FC(F)Oc1ccc(CCc2nc(-c3ccc4n[n-]nc4c3)no2)cc1 ZINC000569527310 505955788 /nfs/dbraw/zinc/95/57/88/505955788.db2.gz LOUWIAGBTDVTAW-UHFFFAOYSA-N -1 3 357.320 3.395 20 0 FGADHM O=C(c1csc(=O)[n-]1)N1CCC[C@@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000329983192 497980568 /nfs/dbraw/zinc/98/05/68/497980568.db2.gz PLLFXRXXPUURLS-GFCCVEGCSA-N -1 3 361.471 3.034 20 0 FGADHM O=C(NCc1ccc([O-])c(Br)c1)NC[C@H]1CCCSC1 ZINC000289043327 497992367 /nfs/dbraw/zinc/99/23/67/497992367.db2.gz BOUBBTHCCGVUDW-LLVKDONJSA-N -1 3 359.289 3.097 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]C[C@@]2(CO)C[C@@H]2c2ccccc2)sc1Cl ZINC000581338007 505964478 /nfs/dbraw/zinc/96/44/78/505964478.db2.gz JPJOFMDRIMMULE-CZUORRHYSA-N -1 3 371.911 3.154 20 0 FGADHM O=c1nc(Cc2noc(-c3ccc(F)cn3)n2)[n-]c2scc(C3CC3)c21 ZINC000349992268 498030717 /nfs/dbraw/zinc/03/07/17/498030717.db2.gz LYUMOUROARQFEX-UHFFFAOYSA-N -1 3 369.381 3.449 20 0 FGADHM O=C([N-]CC1CCN(Cc2ccccc2OC(F)F)CC1)C(F)(F)F ZINC000281164934 498040110 /nfs/dbraw/zinc/04/01/10/498040110.db2.gz GMXCTXQEDHGKQT-UHFFFAOYSA-N -1 3 366.330 3.179 20 0 FGADHM Cc1ccc(Cc2cnc(NC([O-])=NOC(C)(C)CO)s2)cc1F ZINC000296451653 498048468 /nfs/dbraw/zinc/04/84/68/498048468.db2.gz VNTWCZPLUCHSSD-UHFFFAOYSA-N -1 3 353.419 3.005 20 0 FGADHM Cc1ccc(Cc2cnc(NC(=O)[N-]OC(C)(C)CO)s2)cc1F ZINC000296451653 498048475 /nfs/dbraw/zinc/04/84/75/498048475.db2.gz VNTWCZPLUCHSSD-UHFFFAOYSA-N -1 3 353.419 3.005 20 0 FGADHM C[C@@H](CC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)c1cccc(F)c1 ZINC000281193634 498050221 /nfs/dbraw/zinc/05/02/21/498050221.db2.gz AADGWAIWBSQYOY-LBPRGKRZSA-N -1 3 374.378 3.236 20 0 FGADHM COc1ccc(CN2CCOC[C@@H]2CC(F)F)c(Br)c1[O-] ZINC000289201514 498057764 /nfs/dbraw/zinc/05/77/64/498057764.db2.gz BKCCTUXCCAUAQO-JTQLQIEISA-N -1 3 366.202 3.019 20 0 FGADHM Cc1ccc(Br)c(C)c1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000572461556 505974493 /nfs/dbraw/zinc/97/44/93/505974493.db2.gz KZQLKOLJAGVGLX-UHFFFAOYSA-N -1 3 372.226 3.498 20 0 FGADHM Cc1ccc(Br)c(C)c1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000572461556 505974496 /nfs/dbraw/zinc/97/44/96/505974496.db2.gz KZQLKOLJAGVGLX-UHFFFAOYSA-N -1 3 372.226 3.498 20 0 FGADHM O=S(=O)([N-][C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1ccc(Cl)cc1Cl ZINC000330254876 498081256 /nfs/dbraw/zinc/08/12/56/498081256.db2.gz PKVNKILTGVAMQR-LERXQTSPSA-N -1 3 362.278 3.229 20 0 FGADHM O=C([N-]C[C@H]1CCCN(Cc2cc(-c3ccccc3)on2)C1)C(F)(F)F ZINC000289372594 498124381 /nfs/dbraw/zinc/12/43/81/498124381.db2.gz BKPVLCYQNPJNSJ-CYBMUJFWSA-N -1 3 367.371 3.232 20 0 FGADHM COc1cc(-c2nc(-c3cnc4ccc(C)cn43)no2)cc(OC)c1[O-] ZINC000350609143 498125199 /nfs/dbraw/zinc/12/51/99/498125199.db2.gz MVKQETNQQIRZJM-UHFFFAOYSA-N -1 3 352.350 3.083 20 0 FGADHM O=C([N-]C1CCN(c2nccs2)CC1)C(F)(F)c1c(F)cccc1F ZINC000281386452 498131690 /nfs/dbraw/zinc/13/16/90/498131690.db2.gz VEAWRERGLOIERL-UHFFFAOYSA-N -1 3 373.375 3.298 20 0 FGADHM CC(C)(C)c1nccc(N2CCC(C(=O)Nc3ccccc3[O-])CC2)n1 ZINC000301497899 498135764 /nfs/dbraw/zinc/13/57/64/498135764.db2.gz CAXKPYPQVQAHMM-UHFFFAOYSA-N -1 3 354.454 3.335 20 0 FGADHM Cc1cc2c(cc1C)N(C(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)CC2 ZINC000285724012 498182135 /nfs/dbraw/zinc/18/21/35/498182135.db2.gz OIUPGSFZUYBPFB-UHFFFAOYSA-N -1 3 362.426 3.017 20 0 FGADHM Cn1ccc([C@@H]([N-]S(=O)(=O)c2cccs2)c2ccc(Cl)cc2)n1 ZINC000364881212 498189245 /nfs/dbraw/zinc/18/92/45/498189245.db2.gz XBXNYHCCSOZHBA-HNNXBMFYSA-N -1 3 367.883 3.203 20 0 FGADHM Cc1ccc([O-])c(CN2CCC(c3nccc(C(F)(F)F)n3)CC2)n1 ZINC000364889373 498193509 /nfs/dbraw/zinc/19/35/09/498193509.db2.gz IPSQNVMFRINCJB-UHFFFAOYSA-N -1 3 352.360 3.284 20 0 FGADHM [O-]C(=NOCC1CC1)Nc1cc(C(F)(F)F)cc(Br)n1 ZINC000296943233 498260791 /nfs/dbraw/zinc/26/07/91/498260791.db2.gz HBCNDCNCILEKPS-UHFFFAOYSA-N -1 3 354.126 3.326 20 0 FGADHM O=C([N-]OCC1CC1)Nc1cc(C(F)(F)F)cc(Br)n1 ZINC000296943233 498260799 /nfs/dbraw/zinc/26/07/99/498260799.db2.gz HBCNDCNCILEKPS-UHFFFAOYSA-N -1 3 354.126 3.326 20 0 FGADHM Cc1nc(NC(=O)c2nc[n-]n2)sc1Cc1ccc(Cl)cc1F ZINC000581468156 505995239 /nfs/dbraw/zinc/99/52/39/505995239.db2.gz ORXZNDUHHGBMRU-UHFFFAOYSA-N -1 3 351.794 3.205 20 0 FGADHM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1c(F)cc(F)cc1F ZINC000330846112 498204923 /nfs/dbraw/zinc/20/49/23/498204923.db2.gz ZZESRHWTDXHRDE-UHFFFAOYSA-N -1 3 361.389 3.374 20 0 FGADHM [O-]c1cc(CN2CCCN(CC(F)(F)F)CC2)cc(C(F)(F)F)c1 ZINC000578687503 505997071 /nfs/dbraw/zinc/99/70/71/505997071.db2.gz CWIJQOSOJZDACR-UHFFFAOYSA-N -1 3 356.310 3.481 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)[C@@H]1CCOC1 ZINC000285861632 498222561 /nfs/dbraw/zinc/22/25/61/498222561.db2.gz DLHFTZMNQNYEOP-RKDXNWHRSA-N -1 3 357.781 3.062 20 0 FGADHM CS(=O)(=O)NCc1ccc(NCc2cc([O-])cc(C(F)(F)F)c2)cc1 ZINC000289644799 498230490 /nfs/dbraw/zinc/23/04/90/498230490.db2.gz XUWIEUYMDZOBTE-UHFFFAOYSA-N -1 3 374.384 3.072 20 0 FGADHM CC[C@H](C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)c1ccc(F)cc1 ZINC000281692202 498238322 /nfs/dbraw/zinc/23/83/22/498238322.db2.gz LLCDFZBGFLXJJG-HNNXBMFYSA-N -1 3 374.378 3.236 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]CCC[C@H]2CCCC[C@@H]2O)sc1Cl ZINC000331023512 498238434 /nfs/dbraw/zinc/23/84/34/498238434.db2.gz MEHJIYKDQOUFPG-NEPJUHHUSA-N -1 3 351.921 3.320 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]CCC[C@@H]2CCCC[C@H]2O)sc1Cl ZINC000331023513 498238766 /nfs/dbraw/zinc/23/87/66/498238766.db2.gz MEHJIYKDQOUFPG-NWDGAFQWSA-N -1 3 351.921 3.320 20 0 FGADHM CCC(CC)[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(OC)cc2F)CCO1 ZINC000331093495 498250501 /nfs/dbraw/zinc/25/05/01/498250501.db2.gz JSYBDVKIUQTSJI-BBRMVZONSA-N -1 3 359.463 3.096 20 0 FGADHM C[C@@H](NC(=O)c1ccc([N-]S(C)(=O)=O)cc1)[C@@H](C)C1CCCCC1 ZINC000331093768 498251253 /nfs/dbraw/zinc/25/12/53/498251253.db2.gz JWFHEFDEAJELMT-ZIAGYGMSSA-N -1 3 352.500 3.393 20 0 FGADHM CCCC1CCC(N(C)C(=O)c2ccc([N-]S(C)(=O)=O)cc2)CC1 ZINC000331125205 498257529 /nfs/dbraw/zinc/25/75/29/498257529.db2.gz QFAKUSHVSROEAC-UHFFFAOYSA-N -1 3 352.500 3.489 20 0 FGADHM Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)c1ccc(Br)s1 ZINC000331259881 498288308 /nfs/dbraw/zinc/28/83/08/498288308.db2.gz ASXQNHCPUIZEFH-ZCFIWIBFSA-N -1 3 365.274 3.155 20 0 FGADHM COc1cc(Cl)c(S(=O)(=O)[N-]C2CCC(F)(F)CC2)cc1OC ZINC000331318959 498298864 /nfs/dbraw/zinc/29/88/64/498298864.db2.gz KIADBGCEYPAQCK-UHFFFAOYSA-N -1 3 369.817 3.213 20 0 FGADHM CC(C)ON=C([O-])Nc1ccnn1Cc1ccc(Br)cc1 ZINC000297042995 498301331 /nfs/dbraw/zinc/30/13/31/498301331.db2.gz XKNFZGOWNUIJNL-UHFFFAOYSA-N -1 3 353.220 3.155 20 0 FGADHM CC(C)O[N-]C(=O)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000297042995 498301336 /nfs/dbraw/zinc/30/13/36/498301336.db2.gz XKNFZGOWNUIJNL-UHFFFAOYSA-N -1 3 353.220 3.155 20 0 FGADHM Cc1ccc(C)c([C@H]2CN(C(=O)c3cc(=O)[n-]c(C4CC4)n3)[C@H](C)CO2)c1 ZINC000581557168 506014631 /nfs/dbraw/zinc/01/46/31/506014631.db2.gz CYXGGGWUAQAVKE-RDTXWAMCSA-N -1 3 367.449 3.279 20 0 FGADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCO[C@H](c3ccncc3)C2)sc1Cl ZINC000569781816 506014776 /nfs/dbraw/zinc/01/47/76/506014776.db2.gz XGUSLBCGMPBPKT-OLZOCXBDSA-N -1 3 372.899 3.304 20 0 FGADHM Cc1ccc(C)c([C@H]2CN(C(=O)c3cc(=O)[n-]c(C4CC4)n3)[C@@H](C)CO2)c1 ZINC000581557165 506015087 /nfs/dbraw/zinc/01/50/87/506015087.db2.gz CYXGGGWUAQAVKE-KBXCAEBGSA-N -1 3 367.449 3.279 20 0 FGADHM Cc1ccc([C@H]2CCCN2C(=O)NCc2nnc(C(F)(F)F)[n-]2)cc1 ZINC000331416374 498325131 /nfs/dbraw/zinc/32/51/31/498325131.db2.gz ACEPWVZBXUEFQK-GFCCVEGCSA-N -1 3 353.348 3.179 20 0 FGADHM Cc1ccc([C@H]2CCCN2C(=O)NCc2n[n-]c(C(F)(F)F)n2)cc1 ZINC000331416374 498325137 /nfs/dbraw/zinc/32/51/37/498325137.db2.gz ACEPWVZBXUEFQK-GFCCVEGCSA-N -1 3 353.348 3.179 20 0 FGADHM Cc1ccc([C@H]2CCCN2C(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000331416374 498325142 /nfs/dbraw/zinc/32/51/42/498325142.db2.gz ACEPWVZBXUEFQK-GFCCVEGCSA-N -1 3 353.348 3.179 20 0 FGADHM O=C(Nc1cc(F)ccc1[O-])C1CCN(C(=O)Nc2ccccc2)CC1 ZINC000361223546 498361810 /nfs/dbraw/zinc/36/18/10/498361810.db2.gz KDYQKNCMNKHLFX-UHFFFAOYSA-N -1 3 357.385 3.414 20 0 FGADHM Cc1ccc2c(ncc(C(=O)[O-])c2N2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)c1C ZINC000569814227 506022841 /nfs/dbraw/zinc/02/28/41/506022841.db2.gz UKDLCNSXARFWSU-QDUSTFBWSA-N -1 3 370.449 3.323 20 0 FGADHM Cc1cc(NC(=O)C2(CC(=O)[O-])CCC2)ccc1OCCN1CCCC1 ZINC000575872497 506023314 /nfs/dbraw/zinc/02/33/14/506023314.db2.gz RBHKSEMYWMHPBI-UHFFFAOYSA-N -1 3 360.454 3.053 20 0 FGADHM Cc1nc(NC([O-])=NOCC(C)(C)O)sc1Cc1ccc(F)cc1F ZINC000297246588 498375481 /nfs/dbraw/zinc/37/54/81/498375481.db2.gz ZQINBVUFHSNSSL-UHFFFAOYSA-N -1 3 371.409 3.145 20 0 FGADHM Cc1nc(NC(=O)[N-]OCC(C)(C)O)sc1Cc1ccc(F)cc1F ZINC000297246588 498375487 /nfs/dbraw/zinc/37/54/87/498375487.db2.gz ZQINBVUFHSNSSL-UHFFFAOYSA-N -1 3 371.409 3.145 20 0 FGADHM CC1(C)CCCC[C@H]1C(=O)NC1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000365297405 498393938 /nfs/dbraw/zinc/39/39/38/498393938.db2.gz HUSZYWMQOWMJEQ-SFHVURJKSA-N -1 3 358.482 3.329 20 0 FGADHM C[C@@H]1CN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)C[C@H](C)N1C ZINC000293472335 498396721 /nfs/dbraw/zinc/39/67/21/498396721.db2.gz RDTRBUMBNIEEDP-TXEJJXNPSA-N -1 3 358.467 3.181 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)c1 ZINC000286467905 498406817 /nfs/dbraw/zinc/40/68/17/498406817.db2.gz ZOIWWYSUHISFBS-HIFRSBDPSA-N -1 3 357.237 3.007 20 0 FGADHM O=C(Nc1cccc(CNCc2cccc([O-])c2Cl)c1)[C@@H]1CCCO1 ZINC000293547472 498410579 /nfs/dbraw/zinc/41/05/79/498410579.db2.gz KUIZNNXTNFYMQA-KRWDZBQOSA-N -1 3 360.841 3.453 20 0 FGADHM Cc1cn2c(n1)[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1Cl)CCC2 ZINC000331735385 498437169 /nfs/dbraw/zinc/43/71/69/498437169.db2.gz UPPKUQZXUREURM-NSHDSACASA-N -1 3 374.293 3.354 20 0 FGADHM CCc1cc(=O)[n-]c(CN2CCC[C@@H]2c2ccc(Br)cn2)n1 ZINC000569870539 506035213 /nfs/dbraw/zinc/03/52/13/506035213.db2.gz DDTIFWYDKAMKNQ-CQSZACIVSA-N -1 3 363.259 3.239 20 0 FGADHM O=C(N[C@H]1CCCN(CC(F)(F)F)C1)c1cc([O-])ccc1C(F)(F)F ZINC000293731219 498470025 /nfs/dbraw/zinc/47/00/25/498470025.db2.gz UULMAHXPQWAKGO-VIFPVBQESA-N -1 3 370.293 3.168 20 0 FGADHM COc1cc(C(=O)N[C@@H](C)CCCCNC(=O)OC(C)(C)C)ccc1[O-] ZINC000293737678 498472598 /nfs/dbraw/zinc/47/25/98/498472598.db2.gz UYJLTQFHXVHKOS-ZDUSSCGKSA-N -1 3 366.458 3.214 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)N1Cc2ccccc2[C@@H](n2cccn2)C1 ZINC000365451527 498474100 /nfs/dbraw/zinc/47/41/00/498474100.db2.gz ANEOOCPJFNSXTI-SFHVURJKSA-N -1 3 366.396 3.043 20 0 FGADHM COc1ccc(OCc2ccccn2)c(/C=C/C(=O)[N-]OCC2CC2)c1 ZINC000293764481 498482317 /nfs/dbraw/zinc/48/23/17/498482317.db2.gz MBTZCXYTXHPMDN-JXMROGBWSA-N -1 3 354.406 3.140 20 0 FGADHM COc1cccc2c(NCCCNC(=O)c3cccc([O-])c3)ccnc12 ZINC000302480423 498492206 /nfs/dbraw/zinc/49/22/06/498492206.db2.gz WHXVIBAJJAXRIX-UHFFFAOYSA-N -1 3 351.406 3.181 20 0 FGADHM Cc1ccc([C@@]2(C)CCN(C(=O)CCc3c(C)nc(C)[n-]c3=O)C2)cc1 ZINC000365491485 498496167 /nfs/dbraw/zinc/49/61/67/498496167.db2.gz CPLMQDXNCXRQPN-NRFANRHFSA-N -1 3 353.466 3.230 20 0 FGADHM O=C(N[C@H]1CCO[C@]2(CCOC2)C1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000362362178 498504075 /nfs/dbraw/zinc/50/40/75/498504075.db2.gz TYCCOIRTALPDCT-YCRPNKLZSA-N -1 3 369.417 3.252 20 0 FGADHM O=S(=O)([N-][C@@H]1CCCC[C@H]1n1cccn1)c1cc(F)cc(Cl)c1 ZINC000332001504 498528656 /nfs/dbraw/zinc/52/86/56/498528656.db2.gz DPFBTKBKLJWPGH-HUUCEWRRSA-N -1 3 357.838 3.138 20 0 FGADHM Cc1cc(Br)c(S(=O)(=O)[N-]Cc2cc(C)ccn2)s1 ZINC000293906335 498529166 /nfs/dbraw/zinc/52/91/66/498529166.db2.gz WLVQABIKLFYXKD-UHFFFAOYSA-N -1 3 361.286 3.001 20 0 FGADHM C[C@H](CC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1)c1cccc(F)c1 ZINC000290391613 498535275 /nfs/dbraw/zinc/53/52/75/498535275.db2.gz OYSXEKBTTLHBHH-OLZOCXBDSA-N -1 3 374.378 3.236 20 0 FGADHM Cc1cccc([C@@H]2CCCN2C(=O)c2ccc([N-]S(C)(=O)=O)cc2)c1 ZINC000332032705 498539452 /nfs/dbraw/zinc/53/94/52/498539452.db2.gz ZORWPWUJMQGXBH-SFHVURJKSA-N -1 3 358.463 3.344 20 0 FGADHM COC(=O)c1ccc(C(=O)Nc2ccccc2O[C@@H](C)C(F)(F)F)[n-]1 ZINC000293941119 498540009 /nfs/dbraw/zinc/54/00/09/498540009.db2.gz ICQWWNKDDZAWEO-VIFPVBQESA-N -1 3 356.300 3.383 20 0 FGADHM Cc1cc([N-]C(=O)[C@H](C)N2CCc3ccc(Br)cc3C2)on1 ZINC000332127880 498571974 /nfs/dbraw/zinc/57/19/74/498571974.db2.gz MWTDMXJLUSFDQK-NSHDSACASA-N -1 3 364.243 3.131 20 0 FGADHM O=C(NCc1ccco1)[C@H]1CCCN1Cc1cc([O-])cc(C(F)(F)F)c1 ZINC000578943488 506056185 /nfs/dbraw/zinc/05/61/85/506056185.db2.gz HPVIASFSXZFRPR-MRXNPFEDSA-N -1 3 368.355 3.285 20 0 FGADHM Cc1nc([C@H]([N-]C(=O)C(F)C(F)(F)F)c2ccc(Cl)c(F)c2)no1 ZINC000365639728 498573075 /nfs/dbraw/zinc/57/30/75/498573075.db2.gz AYYAKXKKBGOPCF-ZJUUUORDSA-N -1 3 369.677 3.277 20 0 FGADHM O=S(=O)([N-]C1Cc2ccccc2C1)c1ccc(F)cc1C(F)(F)F ZINC000581758471 506061932 /nfs/dbraw/zinc/06/19/32/506061932.db2.gz LGJNSUUUYFFPBT-UHFFFAOYSA-N -1 3 359.344 3.290 20 0 FGADHM Cc1oc(-c2cnn(C)c2)nc1C(=O)Nc1ccc([O-])c(COC(C)C)c1 ZINC000290537087 498588997 /nfs/dbraw/zinc/58/89/97/498588997.db2.gz IGSNVSNALQGDGM-UHFFFAOYSA-N -1 3 370.409 3.266 20 0 FGADHM CC(C)(C)OC(=O)c1cnc(C(=O)[N-]c2ccc(F)c(F)c2F)cn1 ZINC000282640370 498592586 /nfs/dbraw/zinc/59/25/86/498592586.db2.gz KZZCFBSASOTIJW-UHFFFAOYSA-N -1 3 353.300 3.102 20 0 FGADHM CC[C@@](C)(OC)c1noc([C@@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000290555707 498595913 /nfs/dbraw/zinc/59/59/13/498595913.db2.gz TTWXXKZKRJSYRQ-MEBBXXQBSA-N -1 3 373.862 3.034 20 0 FGADHM CC(C)(C)OC(=O)c1cnc(C(=O)[N-]c2cccc(Cl)c2F)cn1 ZINC000282651597 498597193 /nfs/dbraw/zinc/59/71/93/498597193.db2.gz MNBZAZOZOAGWRY-UHFFFAOYSA-N -1 3 351.765 3.477 20 0 FGADHM CC(C)(C)OC(=O)c1cnc(C(=O)[N-]c2nc(C(F)(F)F)cs2)cn1 ZINC000282681662 498608990 /nfs/dbraw/zinc/60/89/90/498608990.db2.gz QHKLAISKYUPTLB-UHFFFAOYSA-N -1 3 374.344 3.160 20 0 FGADHM CCOc1cc(CN(CC)[C@@H](C)CS(=O)(=O)CC)cc(Cl)c1[O-] ZINC000297923685 498610373 /nfs/dbraw/zinc/61/03/73/498610373.db2.gz UBOOEFKVKUYRFX-LBPRGKRZSA-N -1 3 363.907 3.089 20 0 FGADHM CC(C)(C)OC(=O)c1ccsc1[N-]C(=O)c1cc(Cn2cccn2)on1 ZINC000297932818 498614724 /nfs/dbraw/zinc/61/47/24/498614724.db2.gz DSIDPIQAWDHGGZ-UHFFFAOYSA-N -1 3 374.422 3.189 20 0 FGADHM COc1ccc(CN(C)C2CCC(CO)CC2)c(Br)c1[O-] ZINC000290618837 498622233 /nfs/dbraw/zinc/62/22/33/498622233.db2.gz XDRPZDNGKBWXPT-UHFFFAOYSA-N -1 3 358.276 3.146 20 0 FGADHM C[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)Nc2ccccc2[O-])c1 ZINC000302915589 498626002 /nfs/dbraw/zinc/62/60/02/498626002.db2.gz LCGQXVZKYQTBCT-CQSZACIVSA-N -1 3 374.462 3.208 20 0 FGADHM CCCOc1cccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])c1 ZINC000302935327 498631062 /nfs/dbraw/zinc/63/10/62/498631062.db2.gz GBBAYUDGUDACPP-SFHVURJKSA-N -1 3 368.433 3.424 20 0 FGADHM CN(C(=O)c1cc(F)cc2[n-]nnc21)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000282744805 498636738 /nfs/dbraw/zinc/63/67/38/498636738.db2.gz NMRBMXUKRQKFEZ-PBHICJAKSA-N -1 3 372.375 3.228 20 0 FGADHM CN(C(=O)c1cc(F)cc2nn[n-]c21)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000282744805 498636744 /nfs/dbraw/zinc/63/67/44/498636744.db2.gz NMRBMXUKRQKFEZ-PBHICJAKSA-N -1 3 372.375 3.228 20 0 FGADHM CN(C(=O)c1cc(F)cc2n[n-]nc21)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000282744805 498636751 /nfs/dbraw/zinc/63/67/51/498636751.db2.gz NMRBMXUKRQKFEZ-PBHICJAKSA-N -1 3 372.375 3.228 20 0 FGADHM COc1cccc(C2=CCN(C(=O)CCc3c(C)nc(C)[n-]c3=O)CC2)c1 ZINC000363077324 498638317 /nfs/dbraw/zinc/63/83/17/498638317.db2.gz NBYVVVZTVUQXNQ-UHFFFAOYSA-N -1 3 367.449 3.056 20 0 FGADHM CCOc1cc(CN2CC[C@@H](C(F)(F)F)[C@H](CO)C2)cc(Cl)c1[O-] ZINC000298030146 498642879 /nfs/dbraw/zinc/64/28/79/498642879.db2.gz FVPRFFHFGPRHBM-NWDGAFQWSA-N -1 3 367.795 3.437 20 0 FGADHM CC[C@@H](CO)N(C)Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[n-]1 ZINC000298040463 498646091 /nfs/dbraw/zinc/64/60/91/498646091.db2.gz DDBRPSCDSMEQCI-ZDUSSCGKSA-N -1 3 361.442 3.406 20 0 FGADHM COc1ccc2c(c1)[n-]cc(C(=O)N1CCCC[C@@H]1c1nc(C)no1)c2=O ZINC000298102945 498664677 /nfs/dbraw/zinc/66/46/77/498664677.db2.gz BWVKKZJXLAZROX-MRXNPFEDSA-N -1 3 368.393 3.008 20 0 FGADHM Cn1c(CSCc2cc(=O)[n-]c(C3CC3)n2)nnc1-c1ccccc1 ZINC000570030345 506072826 /nfs/dbraw/zinc/07/28/26/506072826.db2.gz NJRQNJABPLCPKO-UHFFFAOYSA-N -1 3 353.451 3.289 20 0 FGADHM C[C@@H]1CN(C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)[C@H]1C ZINC000294389950 498680447 /nfs/dbraw/zinc/68/04/47/498680447.db2.gz YEILHKWJBDCFSY-ZRGWGRIASA-N -1 3 352.434 3.120 20 0 FGADHM CN(CC(=O)Nc1cccc(F)c1)C(=O)c1cc([O-])c2ccccc2c1 ZINC000581853117 506073959 /nfs/dbraw/zinc/07/39/59/506073959.db2.gz NJLBUMDHHFQNTF-UHFFFAOYSA-N -1 3 352.365 3.395 20 0 FGADHM O=C([O-])c1cccc(OCCN2CC[C@H](OCCCc3ccccc3)C2)c1 ZINC000572889618 506076125 /nfs/dbraw/zinc/07/61/25/506076125.db2.gz USWAKBYYDVKOGQ-NRFANRHFSA-N -1 3 369.461 3.487 20 0 FGADHM C[C@H](CCO)C1(C[N-]S(=O)(=O)c2ccc(Cl)cc2Cl)CCC1 ZINC000332484910 498701796 /nfs/dbraw/zinc/70/17/96/498701796.db2.gz QZAVUCMLUYZKMC-LLVKDONJSA-N -1 3 366.310 3.461 20 0 FGADHM CC[C@@H](Cc1ccccc1Br)Nc1nc2nncc-2c(O)[n-]1 ZINC000290857033 498702410 /nfs/dbraw/zinc/70/24/10/498702410.db2.gz YCBLCFQALIJYSC-JTQLQIEISA-N -1 3 362.231 3.254 20 0 FGADHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)CSCc3ccncc3)c2)n1 ZINC000363208337 498704418 /nfs/dbraw/zinc/70/44/18/498704418.db2.gz SIDWACRYMPVFPJ-UHFFFAOYSA-N -1 3 366.446 3.425 20 0 FGADHM Cc1nc(-c2ccc(NC(=O)N3C[C@H](C(N)=O)CC[C@@H]3C)cc2)cc(=O)[n-]1 ZINC000332523428 498711007 /nfs/dbraw/zinc/71/10/07/498711007.db2.gz CYQLJFFNJMVDDV-SMDDNHRTSA-N -1 3 369.425 3.325 20 0 FGADHM O=S(=O)([N-]C1CCSCC1)c1c(Cl)cccc1Br ZINC000282954764 498723940 /nfs/dbraw/zinc/72/39/40/498723940.db2.gz JXIKMDCSEHHYAX-UHFFFAOYSA-N -1 3 370.721 3.276 20 0 FGADHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)CSC[C@@H]3CCCCO3)c2)n1 ZINC000363247625 498725609 /nfs/dbraw/zinc/72/56/09/498725609.db2.gz RLEYFXRNZQLVMB-INIZCTEOSA-N -1 3 373.478 3.398 20 0 FGADHM CCOc1cc(-c2noc(-c3ccccc3N3CCOCC3)n2)ccc1[O-] ZINC000579038021 506079940 /nfs/dbraw/zinc/07/99/40/506079940.db2.gz CMKOPEMTRFCANM-UHFFFAOYSA-N -1 3 367.405 3.345 20 0 FGADHM CCOc1cc(CNCc2cccc(C(=O)N(C)C)c2)cc(Cl)c1[O-] ZINC000298317542 498731124 /nfs/dbraw/zinc/73/11/24/498731124.db2.gz KMHVGRALVLIRNX-UHFFFAOYSA-N -1 3 362.857 3.436 20 0 FGADHM CCOc1cc(C(=O)[N-]c2cc(C(=O)N(C)C(C)C)ccc2Cl)on1 ZINC000294595706 498741095 /nfs/dbraw/zinc/74/10/95/498741095.db2.gz LUBLQRDATJWDJE-UHFFFAOYSA-N -1 3 365.817 3.459 20 0 FGADHM O=C(CCc1ccc2ccccc2c1[O-])N1CCC(N2CCCC2=O)CC1 ZINC000294603558 498744670 /nfs/dbraw/zinc/74/46/70/498744670.db2.gz MKKKWUFIIORMKA-UHFFFAOYSA-N -1 3 366.461 3.091 20 0 FGADHM O=C(NCC1(Cc2ccccc2)CCCC1)c1c[n-]c2ccncc2c1=O ZINC000576088136 506073383 /nfs/dbraw/zinc/07/33/83/506073383.db2.gz MPNFMMHWEIZWEP-UHFFFAOYSA-N -1 3 361.445 3.456 20 0 FGADHM CCOCC(C)(C)C[N-]S(=O)(=O)c1cc(C)c(Br)s1 ZINC000311815556 498754465 /nfs/dbraw/zinc/75/44/65/498754465.db2.gz BSXZNQRGMBCGRS-UHFFFAOYSA-N -1 3 370.334 3.160 20 0 FGADHM O=C(N1CCc2nc[n-]c(=O)c2C1)C1(Cc2cccs2)CCCCC1 ZINC000291032483 498764645 /nfs/dbraw/zinc/76/46/45/498764645.db2.gz KBVKDOGUWSMTNV-UHFFFAOYSA-N -1 3 357.479 3.322 20 0 FGADHM CCCc1nc([C@@H](N[C@@H](C)c2nc(C)cc(=O)[n-]2)c2ccccc2)no1 ZINC000366080375 498764930 /nfs/dbraw/zinc/76/49/30/498764930.db2.gz XZTBPLOXODCRSC-GUYCJALGSA-N -1 3 353.426 3.266 20 0 FGADHM [O-]c1cccc(CNC[C@@H]2COc3ccccc3O2)c1Br ZINC000315880213 498785455 /nfs/dbraw/zinc/78/54/55/498785455.db2.gz LUKNYHXXSWGARI-GFCCVEGCSA-N -1 3 350.212 3.084 20 0 FGADHM CC[C@H](C(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1)c1ccccc1 ZINC000291126866 498807419 /nfs/dbraw/zinc/80/74/19/498807419.db2.gz NWDPUBFBZYNGEH-HIFRSBDPSA-N -1 3 356.388 3.097 20 0 FGADHM O=C1CCc2cc(Cl)c(S(=O)(=O)[N-][C@H]3CC4CCC3CC4)cc2N1 ZINC000579096997 506093588 /nfs/dbraw/zinc/09/35/88/506093588.db2.gz SOABQZWAYXVKJZ-NWHVRFAMSA-N -1 3 368.886 3.082 20 0 FGADHM C[C@@H](NC(=O)CN1CCCC[C@@H]1CCC(=O)[O-])c1ccccc1Cl ZINC000324437161 498829277 /nfs/dbraw/zinc/82/92/77/498829277.db2.gz RQLVFSFNYIFYCI-ZIAGYGMSSA-N -1 3 352.862 3.237 20 0 FGADHM Cc1cc(C)c2[n-]cc(C(=O)N3CC[C@@H](C4CCOCC4)C3)c(=O)c2c1 ZINC000332975404 498853889 /nfs/dbraw/zinc/85/38/89/498853889.db2.gz KPZRERSDNLHFAD-MRXNPFEDSA-N -1 3 354.450 3.034 20 0 FGADHM Cc1cc(C)c2[n-]cc(C(=O)N3CCC[C@@H]3C3CCOCC3)c(=O)c2c1 ZINC000332978466 498854905 /nfs/dbraw/zinc/85/49/05/498854905.db2.gz OYCWBARUVUQEKP-GOSISDBHSA-N -1 3 354.450 3.176 20 0 FGADHM COc1cc(C(=O)N2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)ccc1[O-] ZINC000287795205 498865628 /nfs/dbraw/zinc/86/56/28/498865628.db2.gz JBCGFRNCNUNEAH-KZNAEPCWSA-N -1 3 353.418 3.046 20 0 FGADHM CCN=c1[n-]c(C(=O)NC[C@H](Cc2ccccc2)C(F)(F)F)cs1 ZINC000581975544 506103625 /nfs/dbraw/zinc/10/36/25/506103625.db2.gz JZAQEOBVZFGGSB-LBPRGKRZSA-N -1 3 357.401 3.148 20 0 FGADHM CC(C)n1ncc2c1C[C@@H](NC(=O)c1ccc3c(c1[O-])OC(C)(C)C3)CC2 ZINC000333108415 498901118 /nfs/dbraw/zinc/90/11/18/498901118.db2.gz WWQOJPNYAZUJOR-HNNXBMFYSA-N -1 3 369.465 3.170 20 0 FGADHM CC1(C)Cc2ccc(C(=O)N3CCC[C@@H]3[C@H]3CCCC[C@H]3O)c([O-])c2O1 ZINC000333108365 498901270 /nfs/dbraw/zinc/90/12/70/498901270.db2.gz WWHZEKFHAKXZCW-DJIMGWMZSA-N -1 3 359.466 3.261 20 0 FGADHM NC(=O)C1([N-]S(=O)(=O)CC23CCC(CC2)C3)C2CC3CC(C2)CC1C3 ZINC000333118303 498905565 /nfs/dbraw/zinc/90/55/65/498905565.db2.gz ACTCEOXRURFXCP-UHFFFAOYSA-N -1 3 366.527 3.216 20 0 FGADHM CC[C@@H](Sc1ccccc1)C(=O)N=c1[n-]n(C)cc1Br ZINC000582004400 506110987 /nfs/dbraw/zinc/11/09/87/506110987.db2.gz OIRIBBZPHFJENC-GFCCVEGCSA-N -1 3 354.273 3.114 20 0 FGADHM C[C@@H]1CCN(CC(=O)N[C@@H](c2ccccc2)C2CCCC2)C[C@H]1C(=O)[O-] ZINC000582003176 506111090 /nfs/dbraw/zinc/11/10/90/506111090.db2.gz YGUVICNRESHPHV-ZTNFWEORSA-N -1 3 358.482 3.077 20 0 FGADHM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(F)(F)F)c[nH]c2=O)s1 ZINC000295158831 498928854 /nfs/dbraw/zinc/92/88/54/498928854.db2.gz GJUNTNOWGDFRHJ-UHFFFAOYSA-N -1 3 352.359 3.285 20 0 FGADHM CC[C@H](C)c1ccccc1OCC(=O)[N-]c1nncn1-c1cccnc1 ZINC000288057575 498934402 /nfs/dbraw/zinc/93/44/02/498934402.db2.gz NFZFOSQHLHYJTB-AWEZNQCLSA-N -1 3 351.410 3.193 20 0 FGADHM C[C@@H]1CCCc2nc(S(=O)(=O)[N-]C[C@@H]3CCCCC(F)(F)C3)cn21 ZINC000333249595 498953523 /nfs/dbraw/zinc/95/35/23/498953523.db2.gz CGAZZHAAUFUROG-CHWSQXEVSA-N -1 3 361.458 3.274 20 0 FGADHM CCCCSCCC(=O)NC1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000363730349 498964403 /nfs/dbraw/zinc/96/44/03/498964403.db2.gz YEFRJUAWCJFFER-UHFFFAOYSA-N -1 3 364.511 3.036 20 0 FGADHM CC1(C)Cc2ccc(C(=O)N3CCOC[C@H]3c3ccccc3)c([O-])c2O1 ZINC000333291390 498967788 /nfs/dbraw/zinc/96/77/88/498967788.db2.gz RMGUYLQNJPUQDT-KRWDZBQOSA-N -1 3 353.418 3.319 20 0 FGADHM O=S(=O)(Cc1cccc(Cl)c1)[N-]Cc1nc(C(F)(F)F)cs1 ZINC000288307507 498990281 /nfs/dbraw/zinc/99/02/81/498990281.db2.gz KGOLCZGBANYHNE-UHFFFAOYSA-N -1 3 370.805 3.435 20 0 FGADHM COC(=O)c1ccc([N-]C(=O)c2c(C)onc2-c2ccncc2)c(F)c1 ZINC000363788229 498991968 /nfs/dbraw/zinc/99/19/68/498991968.db2.gz ZJGJMXWAISQSBD-UHFFFAOYSA-N -1 3 355.325 3.223 20 0 FGADHM CCOc1cc(CNCc2c(C)noc2C)cc(Br)c1[O-] ZINC000299224834 498999202 /nfs/dbraw/zinc/99/92/02/498999202.db2.gz NBGVERDCCSSCLC-UHFFFAOYSA-N -1 3 355.232 3.448 20 0 FGADHM C[C@H](NC(=O)c1csc(=O)[n-]1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000363833236 499018006 /nfs/dbraw/zinc/01/80/06/499018006.db2.gz XDKJITGICRJAKF-ZETCQYMHSA-N -1 3 350.787 3.043 20 0 FGADHM Cc1cc([N-]C(=O)[C@@H](C)Nc2cccc(COCCOC(C)C)c2)on1 ZINC000299332714 499027303 /nfs/dbraw/zinc/02/73/03/499027303.db2.gz LEZKQVZQKZWHNI-OAHLLOKOSA-N -1 3 361.442 3.364 20 0 FGADHM CCn1ccnc1C[N-]C(=O)C(F)(F)c1ccccc1Br ZINC000295520457 499041677 /nfs/dbraw/zinc/04/16/77/499041677.db2.gz INAJHTCMFPHZDN-UHFFFAOYSA-N -1 3 358.186 3.074 20 0 FGADHM CCc1cc(C(=O)N[C@H](C)c2nc(Cc3ccccc3)no2)ccc1[O-] ZINC000291731308 499049814 /nfs/dbraw/zinc/04/98/14/499049814.db2.gz CDQNYGDOHQTHKS-CYBMUJFWSA-N -1 3 351.406 3.419 20 0 FGADHM O=C([N-]c1ncn(-c2ccccn2)n1)c1occc1COc1ccccc1 ZINC000366734430 499053794 /nfs/dbraw/zinc/05/37/94/499053794.db2.gz KAVMIRKJBRGLHY-UHFFFAOYSA-N -1 3 361.361 3.087 20 0 FGADHM COC(=O)[C@H](NCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1)C1CC1 ZINC000299433791 499057462 /nfs/dbraw/zinc/05/74/62/499057462.db2.gz VIWLLDWUFYLFQR-MRXNPFEDSA-N -1 3 369.446 3.105 20 0 FGADHM COc1ccc(C(=O)N2CCC[C@@H]2c2nc3ccccc3n2C)c([O-])c1 ZINC000299435681 499058375 /nfs/dbraw/zinc/05/83/75/499058375.db2.gz YHXIZFNFHQKBFA-QGZVFWFLSA-N -1 3 351.406 3.265 20 0 FGADHM CS(=O)(=O)[N-]c1ccc(-c2noc([C@@H]3CCOc4ccccc43)n2)cc1 ZINC000363939321 499059342 /nfs/dbraw/zinc/05/93/42/499059342.db2.gz QRYRNMANKFVUFJ-OAHLLOKOSA-N -1 3 371.418 3.023 20 0 FGADHM CCc1cc(=O)[n-]c(CN(C)[C@H](c2ccc(Cl)cc2)c2cnccn2)n1 ZINC000363940501 499060277 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CCCc1nc(C)c(-c2nc(-c3ccc([N-]S(C)(=O)=O)cc3)no2)o1 ZINC000291938507 499106595 /nfs/dbraw/zinc/10/65/95/499106595.db2.gz POLUNIZIODNPHA-UHFFFAOYSA-N -1 3 362.411 3.024 20 0 FGADHM COCc1ncsc1C(=O)[N-]c1nc(C(C)(C)C)c(C(=O)OC)s1 ZINC000284449144 499109592 /nfs/dbraw/zinc/10/95/92/499109592.db2.gz VLGOAVNPANHUHI-UHFFFAOYSA-N -1 3 369.468 3.082 20 0 FGADHM CCCCOc1ccc(C(=O)Nc2nc[n-]c2C(=O)OC)cc1OCC ZINC000570291076 506134834 /nfs/dbraw/zinc/13/48/34/506134834.db2.gz GLNXZKUNJZZIQW-UHFFFAOYSA-N -1 3 361.398 3.026 20 0 FGADHM CCCCOc1ccc(C(=O)Nc2[n-]cnc2C(=O)OC)cc1OCC ZINC000570291076 506134836 /nfs/dbraw/zinc/13/48/36/506134836.db2.gz GLNXZKUNJZZIQW-UHFFFAOYSA-N -1 3 361.398 3.026 20 0 FGADHM O=C(NCc1ccc([O-])c(Br)c1)N1CCCO[C@@H]2CCC[C@H]21 ZINC000366939911 499119730 /nfs/dbraw/zinc/11/97/30/499119730.db2.gz BMZRRMRWLNSUEM-UKRRQHHQSA-N -1 3 369.259 3.008 20 0 FGADHM CSc1ccc(C(=O)N2CCO[C@H](c3nc(C)cs3)C2)c([O-])c1 ZINC000367033683 499136997 /nfs/dbraw/zinc/13/69/97/499136997.db2.gz 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CO[C@@H](CNCc1cn(-c2ccccc2)nc1-c1ccc(C)o1)CC(=O)[O-] ZINC000417639820 500133274 /nfs/dbraw/zinc/13/32/74/500133274.db2.gz UMMQKWZNCXOJGJ-QGZVFWFLSA-N -1 3 369.421 3.020 20 0 FGADHM O=S(=O)([N-]CC1(CO)CC2(CCC2)C1)c1ccc(Cl)cc1Cl ZINC000429878338 500160749 /nfs/dbraw/zinc/16/07/49/500160749.db2.gz RQWIIIKZLLSTNL-UHFFFAOYSA-N -1 3 364.294 3.215 20 0 FGADHM C[C@H]1C[C@H](CC[N-]S(=O)(=O)c2ccc(Cl)cc2Cl)CCO1 ZINC000429883433 500161290 /nfs/dbraw/zinc/16/12/90/500161290.db2.gz HYVPWVSFVLHXLG-WDEREUQCSA-N -1 3 352.283 3.477 20 0 FGADHM Cc1ccc(C[C@H](CO)[N-]S(=O)(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000429880720 500161393 /nfs/dbraw/zinc/16/13/93/500161393.db2.gz OUQFHQGFKZRKCB-CQSZACIVSA-N -1 3 374.289 3.184 20 0 FGADHM Cc1ccc(CS(=O)(=O)[N-]Cc2c(F)cc(F)c(F)c2F)cc1F ZINC000429910192 500165537 /nfs/dbraw/zinc/16/55/37/500165537.db2.gz OLLXLARVJCHBMU-UHFFFAOYSA-N -1 3 365.323 3.310 20 0 FGADHM C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)CN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000421912788 500174804 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ZINC000576609326 506198147 /nfs/dbraw/zinc/19/81/47/506198147.db2.gz DQIRDLVJCOATLW-NSHDSACASA-N -1 3 370.363 3.384 20 0 FGADHM O=S(=O)([N-]CCCOC1CCCC1)c1cc(F)ccc1OC(F)F ZINC000420658948 500484587 /nfs/dbraw/zinc/48/45/87/500484587.db2.gz DBSFLRMGZRQCAE-UHFFFAOYSA-N -1 3 367.389 3.055 20 0 FGADHM Cc1csc([C@H](C)[N-]S(=O)(=O)c2cc(F)ccc2OC(F)F)n1 ZINC000420665857 500485431 /nfs/dbraw/zinc/48/54/31/500485431.db2.gz NZVWOSSMGUHAGD-QMMMGPOBSA-N -1 3 366.386 3.232 20 0 FGADHM CO[C@H]1CCC[C@H]1C[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000420694624 500489079 /nfs/dbraw/zinc/48/90/79/500489079.db2.gz VWAUDSSFRIHSDD-ONGXEEELSA-N -1 3 369.817 3.035 20 0 FGADHM CCc1ccc(NC(=O)NC[C@H](Cc2ccc([O-])c(F)c2)C(=O)OC)cc1 ZINC000421032086 500559578 /nfs/dbraw/zinc/55/95/78/500559578.db2.gz GWSZHAILSXHXIT-HNNXBMFYSA-N -1 3 374.412 3.247 20 0 FGADHM COc1cccc([S@](=O)CC(=O)N2CC[C@H](C)c3cccc([O-])c32)c1 ZINC000424775572 500561098 /nfs/dbraw/zinc/56/10/98/500561098.db2.gz IANHSPNVTDRKHH-ZJWNCGCPSA-N -1 3 359.447 3.049 20 0 FGADHM Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2ccc([O-])c(C)c2)cc1C ZINC000436929402 500572080 /nfs/dbraw/zinc/57/20/80/500572080.db2.gz UNQZPOFKKAWUOP-QGZVFWFLSA-N -1 3 370.474 3.471 20 0 FGADHM CC1(C)Cc2ccc(C(=O)NC[C@]3(CO)C[C@@H]3c3ccccc3)c([O-])c2O1 ZINC000436939635 500575451 /nfs/dbraw/zinc/57/54/51/500575451.db2.gz PLQKMPHWWYQNIA-VGSWGCGISA-N -1 3 367.445 3.002 20 0 FGADHM O=C(Nc1ccc(CCN2CCSCC2)cc1)c1c([O-])cccc1F ZINC000436941369 500576149 /nfs/dbraw/zinc/57/61/49/500576149.db2.gz CQQHQFJBMPYGNZ-UHFFFAOYSA-N -1 3 360.454 3.375 20 0 FGADHM Cc1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)NC3CC3)c2C)c([O-])c1 ZINC000436953547 500578597 /nfs/dbraw/zinc/57/85/97/500578597.db2.gz QRELWICRQYLIFO-UHFFFAOYSA-N -1 3 374.462 3.010 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccco3)cc2F)cc1C(N)=O ZINC000447263406 500581833 /nfs/dbraw/zinc/58/18/33/500581833.db2.gz IXEXAWQLBUWWHW-UHFFFAOYSA-N -1 3 374.393 3.294 20 0 FGADHM C/C=C\C[C@@H](NCc1ccc(OC)c([O-])c1Br)C(=O)OCC ZINC000432906079 500589200 /nfs/dbraw/zinc/58/92/00/500589200.db2.gz MDHLBPAAFHAZIH-TXNVCOODSA-N -1 3 372.259 3.151 20 0 FGADHM O=C(c1ccc(O)cc1[O-])N(CCn1ccnc1)Cc1cccc(Cl)c1 ZINC000436997198 500589647 /nfs/dbraw/zinc/58/96/47/500589647.db2.gz FWLQLZQYSIGADP-UHFFFAOYSA-N -1 3 371.824 3.290 20 0 FGADHM Cc1c(F)ccc(Cl)c1[N-]S(=O)(=O)c1ccc(C(=O)N(C)C)cc1 ZINC000442595825 500602543 /nfs/dbraw/zinc/60/25/43/500602543.db2.gz HILDLEBELNKUSQ-UHFFFAOYSA-N -1 3 370.833 3.290 20 0 FGADHM CCC1(CNC(=O)Nc2ccc([N-]S(=O)(=O)CC)c(OC)c2)CCC1 ZINC000437166737 500608847 /nfs/dbraw/zinc/60/88/47/500608847.db2.gz SJOLRTGHTXNXMO-UHFFFAOYSA-N -1 3 369.487 3.159 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1cnccc1C(F)(F)F)c1cccc(F)c1F ZINC000442749414 500619449 /nfs/dbraw/zinc/61/94/49/500619449.db2.gz HHIOLPACEPUOFJ-QMMMGPOBSA-N -1 3 366.311 3.418 20 0 FGADHM CC(C)([N-]S(=O)(=O)c1cnccc1C(F)(F)F)c1cccs1 ZINC000442762632 500622267 /nfs/dbraw/zinc/62/22/67/500622267.db2.gz HMXUTPPSVNSFEQ-UHFFFAOYSA-N -1 3 350.387 3.376 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1F)[C@H]1Oc2ccccc2[C@H]1C ZINC000437320677 500629892 /nfs/dbraw/zinc/62/98/92/500629892.db2.gz DPELBMZDQFDZQM-RLFDGXBXSA-N -1 3 353.390 3.196 20 0 FGADHM COc1ccc2c(c1)[n-]cc(C(=O)Nc1cnn(C3CCCC3)c1C)c2=O ZINC000447626998 500636090 /nfs/dbraw/zinc/63/60/90/500636090.db2.gz RPRPJCSTPNKWIM-UHFFFAOYSA-N -1 3 366.421 3.409 20 0 FGADHM COc1ccc2c([O-])c(C(=O)Nc3cnn(C4CCCC4)c3C)cnc2c1 ZINC000447626998 500636097 /nfs/dbraw/zinc/63/60/97/500636097.db2.gz RPRPJCSTPNKWIM-UHFFFAOYSA-N -1 3 366.421 3.409 20 0 FGADHM COC(=O)c1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2[O-])c(F)c1 ZINC000442919708 500646625 /nfs/dbraw/zinc/64/66/25/500646625.db2.gz BCEADLCZQWQIBJ-UHFFFAOYSA-N -1 3 373.258 3.469 20 0 FGADHM C[C@@H](Oc1cccc(CO)c1)C(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000442930915 500649094 /nfs/dbraw/zinc/64/90/94/500649094.db2.gz ITDBOEVLGAUCQV-SNVBAGLBSA-N -1 3 371.311 3.189 20 0 FGADHM COC(=O)[C@H]1CCC[C@H](C(=O)Nc2ccc(OC(F)(F)F)cc2[O-])C1 ZINC000442936343 500649490 /nfs/dbraw/zinc/64/94/90/500649490.db2.gz XWOQJIUEGZDGRX-UWVGGRQHSA-N -1 3 361.316 3.209 20 0 FGADHM COc1cc(C(=O)N2CCc3c(Br)cccc3C2)ccc1[O-] ZINC000442939466 500650343 /nfs/dbraw/zinc/65/03/43/500650343.db2.gz CSWOAJTYYJTOLP-UHFFFAOYSA-N -1 3 362.223 3.362 20 0 FGADHM COC(=O)c1sccc1S(=O)(=O)[N-]Cc1csc2ccccc12 ZINC000443023372 500665690 /nfs/dbraw/zinc/66/56/90/500665690.db2.gz XTFSRFAEFAJKFC-UHFFFAOYSA-N -1 3 367.473 3.228 20 0 FGADHM COc1cc(C(=O)NCc2ccc(CN(C)C)c(F)c2)cc(Cl)c1[O-] ZINC000443062426 500672162 /nfs/dbraw/zinc/67/21/62/500672162.db2.gz XGFGESNICXKCTE-UHFFFAOYSA-N -1 3 366.820 3.185 20 0 FGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H](C)c1cc(C)cc(C)c1 ZINC000443071471 500674225 /nfs/dbraw/zinc/67/42/25/500674225.db2.gz SNLKZQZHVAUOLU-ZDUSSCGKSA-N -1 3 365.426 3.269 20 0 FGADHM COc1cc(C(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)cc(Cl)c1[O-] ZINC000443109398 500681151 /nfs/dbraw/zinc/68/11/51/500681151.db2.gz KVEVOTFVEFNUPC-YVEFUNNKSA-N -1 3 362.857 3.475 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N3CCN(C)c4cc(F)ccc43)c[n-]c12 ZINC000433368571 500681839 /nfs/dbraw/zinc/68/18/39/500681839.db2.gz XROGVOXRQBEHDS-UHFFFAOYSA-N -1 3 369.371 3.211 20 0 FGADHM COc1ccc(S(=O)(=O)[N-][C@@H](CCO)C(C)(C)C)c(Cl)c1Cl ZINC000443110371 500681922 /nfs/dbraw/zinc/68/19/22/500681922.db2.gz BFQARTKVJQOTIY-NSHDSACASA-N -1 3 370.298 3.077 20 0 FGADHM COC(=O)[C@H](NC(=O)c1cc([O-])ccc1Cl)c1ccc(Cl)c(F)c1 ZINC000433384616 500685198 /nfs/dbraw/zinc/68/51/98/500685198.db2.gz WLHBNQZQFCIGGE-CQSZACIVSA-N -1 3 372.179 3.482 20 0 FGADHM Cc1cccc(F)c1S(=O)(=O)[N-]C[C@H]1CCCN(c2ccccc2)C1 ZINC000433439173 500693450 /nfs/dbraw/zinc/69/34/50/500693450.db2.gz HFBMDLGKPQBHPD-MRXNPFEDSA-N -1 3 362.470 3.329 20 0 FGADHM CO[C@H]1CCCC[C@@H]1NC(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000443186449 500693883 /nfs/dbraw/zinc/69/38/83/500693883.db2.gz ZIGSGKKPRQAENZ-OALUTQOASA-N -1 3 353.418 3.311 20 0 FGADHM O=S(=O)([N-]C[C@H]1CCCN(c2ccccc2)C1)c1ccc(F)c(F)c1 ZINC000433440097 500694103 /nfs/dbraw/zinc/69/41/03/500694103.db2.gz PYISUADOCLFFJC-CQSZACIVSA-N -1 3 366.433 3.160 20 0 FGADHM CN1CCCC(C)(C)[C@@H]1C[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000447944584 500694405 /nfs/dbraw/zinc/69/44/05/500694405.db2.gz RWTAASGGBORYJX-AWEZNQCLSA-N -1 3 364.433 3.104 20 0 FGADHM CO[C@H](C)CS(=O)(=O)[N-]Cc1nc(-c2cc3ccccc3o2)cs1 ZINC000443210022 500696683 /nfs/dbraw/zinc/69/66/83/500696683.db2.gz UYPWSWTYIJYYPF-LLVKDONJSA-N -1 3 366.464 3.011 20 0 FGADHM CO[C@@H](C)CS(=O)(=O)[N-]Cc1nc(-c2cc3ccccc3o2)cs1 ZINC000443210023 500696693 /nfs/dbraw/zinc/69/66/93/500696693.db2.gz UYPWSWTYIJYYPF-NSHDSACASA-N -1 3 366.464 3.011 20 0 FGADHM CC[C@@H](C)[C@@](C)(O)C[N-]S(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000443307287 500707399 /nfs/dbraw/zinc/70/73/99/500707399.db2.gz ODWUIWATKPTYJA-YGRLFVJLSA-N -1 3 354.299 3.210 20 0 FGADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]C[C@@]1(C)CCCC[C@H]1O ZINC000443341546 500713100 /nfs/dbraw/zinc/71/31/00/500713100.db2.gz LZUSLGDGAFGQAM-NVXWUHKLSA-N -1 3 355.431 3.100 20 0 FGADHM C[C@@]1(C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)CCCC[C@H]1O ZINC000443352799 500714087 /nfs/dbraw/zinc/71/40/87/500714087.db2.gz PLOSLDUWBZHIOX-KGLIPLIRSA-N -1 3 352.283 3.213 20 0 FGADHM C[C@H]1CN(Cc2ccccc2NCc2cc(=O)[n-]c(C3CC3)n2)C[C@H](C)O1 ZINC000573547898 506210649 /nfs/dbraw/zinc/21/06/49/506210649.db2.gz SSQGYSNXDGOEPX-GJZGRUSLSA-N -1 3 368.481 3.281 20 0 FGADHM Cc1nc(C)c(S(=O)(=O)[N-]Cc2ccc(-c3cccnc3)cc2)s1 ZINC000433666682 500727304 /nfs/dbraw/zinc/72/73/04/500727304.db2.gz IJMXCTSZUIAERD-UHFFFAOYSA-N -1 3 359.476 3.300 20 0 FGADHM CCC[C@@H](C)N1C[C@@H](C(=O)Nc2ccc(OC(F)(F)F)cc2[O-])CC1=O ZINC000443563319 500738452 /nfs/dbraw/zinc/73/84/52/500738452.db2.gz YFNOKTZKZQSCLK-MNOVXSKESA-N -1 3 374.359 3.266 20 0 FGADHM C[C@H]1Oc2ccccc2O[C@H]1C(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000443566412 500739286 /nfs/dbraw/zinc/73/92/86/500739286.db2.gz MDNYMBMAEPGIBZ-RFAUZJTJSA-N -1 3 369.295 3.458 20 0 FGADHM CC(C)CC(C)(C)C[N-]S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC000433758733 500739474 /nfs/dbraw/zinc/73/94/74/500739474.db2.gz LZTZGGHJDUSKJL-UHFFFAOYSA-N -1 3 356.463 3.061 20 0 FGADHM Cc1nc(C)c(S(=O)(=O)[N-][C@@H]2C[C@H]2c2c(F)cccc2Cl)s1 ZINC000433819690 500749419 /nfs/dbraw/zinc/74/94/19/500749419.db2.gz QSPRNFIVCQRWDH-BXKDBHETSA-N -1 3 360.863 3.387 20 0 FGADHM COc1ccc(CC[C@H](C)[N-]S(=O)(=O)c2sc(C)nc2C)cc1 ZINC000433845286 500754465 /nfs/dbraw/zinc/75/44/65/500754465.db2.gz WKAWQPRWKZYOFQ-NSHDSACASA-N -1 3 354.497 3.068 20 0 FGADHM CN(C)[C@H](CNC(=O)Cc1ccc([O-])c(F)c1)c1ccccc1Cl ZINC000448578072 500775747 /nfs/dbraw/zinc/77/57/47/500775747.db2.gz MURUMNHDGBDZFV-MRXNPFEDSA-N -1 3 350.821 3.146 20 0 FGADHM CCSc1cc(C(=O)Nc2nc3cccc(C(=O)OC)c3[n-]2)ccn1 ZINC000438358853 500776231 /nfs/dbraw/zinc/77/62/31/500776231.db2.gz OOFHCOSBHICDHU-UHFFFAOYSA-N -1 3 356.407 3.109 20 0 FGADHM CCSc1cc(C(=O)Nc2nc3c(cccc3C(=O)OC)[n-]2)ccn1 ZINC000438358853 500776234 /nfs/dbraw/zinc/77/62/34/500776234.db2.gz OOFHCOSBHICDHU-UHFFFAOYSA-N -1 3 356.407 3.109 20 0 FGADHM O=S(=O)([N-]Cc1ccc2c(n1)CCCC2)c1ccc(Cl)cc1F ZINC000443933481 500779685 /nfs/dbraw/zinc/77/96/85/500779685.db2.gz DWJITBYOGNDBCU-UHFFFAOYSA-N -1 3 354.834 3.231 20 0 FGADHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F)C1CCOCC1 ZINC000444082310 500800184 /nfs/dbraw/zinc/80/01/84/500800184.db2.gz HUVWKGPZDASRJH-CYBMUJFWSA-N -1 3 369.380 3.328 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F)[C@H]1CCCCO1 ZINC000444189133 500815112 /nfs/dbraw/zinc/81/51/12/500815112.db2.gz FITNLNUDNLNOSS-JOYOIKCWSA-N -1 3 355.353 3.080 20 0 FGADHM C[C@H](C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F)c1nccs1 ZINC000444206298 500817493 /nfs/dbraw/zinc/81/74/93/500817493.db2.gz QHNCRVKUDRASTM-MRVPVSSYSA-N -1 3 368.377 3.383 20 0 FGADHM C[C@H]1CCCN(Cc2ccc(CNC(=O)C(=O)c3ccc([O-])cc3)cc2)C1 ZINC000438763431 500818182 /nfs/dbraw/zinc/81/81/82/500818182.db2.gz GPSXYWBDLSOJNV-INIZCTEOSA-N -1 3 366.461 3.123 20 0 FGADHM O=C(Cc1ccc([O-])c(F)c1)N1CCC(c2c[nH]c3ncccc23)CC1 ZINC000448767832 500828315 /nfs/dbraw/zinc/82/83/15/500828315.db2.gz ALKJIBZPZSLAJK-UHFFFAOYSA-N -1 3 353.397 3.356 20 0 FGADHM C[C@@H]1CC[C@H](C)N1C(=O)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O ZINC000444293312 500830791 /nfs/dbraw/zinc/83/07/91/500830791.db2.gz LMTNYHHFHJGECY-AOOOYVTPSA-N -1 3 354.328 3.440 20 0 FGADHM CCCc1ccc([C@@H](C)N(CC(N)=O)C(=O)Cc2ccc([O-])c(F)c2)cc1 ZINC000448781736 500832375 /nfs/dbraw/zinc/83/23/75/500832375.db2.gz OKVLJGVZRUBHLH-CQSZACIVSA-N -1 3 372.440 3.101 20 0 FGADHM C[C@@H]1COCC[C@@H]1C(=O)N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1 ZINC000444303723 500832433 /nfs/dbraw/zinc/83/24/33/500832433.db2.gz DSTJTIJCNUCXTI-RNCFNFMXSA-N -1 3 354.237 3.417 20 0 FGADHM CN(Cc1nc2c(cnn2C)c(=O)[n-]1)c1ccc(Oc2ccccc2)cc1 ZINC000588168427 506219396 /nfs/dbraw/zinc/21/93/96/506219396.db2.gz OXBCARBLFXNJHT-UHFFFAOYSA-N -1 3 361.405 3.498 20 0 FGADHM O=C(c1c[n-]c2c(OC(F)(F)F)cccc2c1=O)N1CC[C@@H]2CCC[C@H]21 ZINC000444363072 500839934 /nfs/dbraw/zinc/83/99/34/500839934.db2.gz KMRYTGHIDYFXIC-GXFFZTMASA-N -1 3 366.339 3.441 20 0 FGADHM CCOCc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])cc1 ZINC000439050475 500851061 /nfs/dbraw/zinc/85/10/61/500851061.db2.gz CCDBGKSZPWIKKX-GOSISDBHSA-N -1 3 368.433 3.172 20 0 FGADHM CC(=O)Nc1ccc(C)c(C(=O)Nc2nnc(-c3c(F)cccc3F)[n-]2)c1 ZINC000444668395 500876195 /nfs/dbraw/zinc/87/61/95/500876195.db2.gz CFHXOUIYMSWQCW-UHFFFAOYSA-N -1 3 371.347 3.269 20 0 FGADHM CC(=O)Nc1ccc(C)c(C(=O)Nc2nc(-c3c(F)cccc3F)n[n-]2)c1 ZINC000444668395 500876196 /nfs/dbraw/zinc/87/61/96/500876196.db2.gz CFHXOUIYMSWQCW-UHFFFAOYSA-N -1 3 371.347 3.269 20 0 FGADHM CC(=O)Nc1ccc(C)c(C(=O)Nc2n[n-]c(-c3c(F)cccc3F)n2)c1 ZINC000444668395 500876197 /nfs/dbraw/zinc/87/61/97/500876197.db2.gz CFHXOUIYMSWQCW-UHFFFAOYSA-N -1 3 371.347 3.269 20 0 FGADHM Cc1cc(C(=O)N[C@H](c2ccc(F)c(Cl)c2)C(F)(F)F)[n-]c(=O)n1 ZINC000444762774 500894231 /nfs/dbraw/zinc/89/42/31/500894231.db2.gz SIZNLZHVMJQSRH-LLVKDONJSA-N -1 3 363.698 3.317 20 0 FGADHM CCOc1nc2cc(C(=O)NC[C@@H](c3ccco3)N3CCCC3)ccc2[n-]1 ZINC000449049681 500911886 /nfs/dbraw/zinc/91/18/86/500911886.db2.gz ZTNTVTRBNRPRFP-KRWDZBQOSA-N -1 3 368.437 3.122 20 0 FGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)c2ccccc2Cl)cc1F ZINC000444882597 500916749 /nfs/dbraw/zinc/91/67/49/500916749.db2.gz ZAVKXRSYUJWHNS-JTQLQIEISA-N -1 3 371.817 3.305 20 0 FGADHM Cc1nc(-c2ccc(NC(=O)N[C@@H](C)C(=O)OC(C)(C)C)cc2)cc(=O)[n-]1 ZINC000435133214 500937615 /nfs/dbraw/zinc/93/76/15/500937615.db2.gz PZYQJTOGHPKKCS-NSHDSACASA-N -1 3 372.425 3.009 20 0 FGADHM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2cccc3ccccc32)cc1F ZINC000445059558 500939406 /nfs/dbraw/zinc/93/94/06/500939406.db2.gz MHQHUQLPOFGYKY-UHFFFAOYSA-N -1 3 373.405 3.244 20 0 FGADHM CC1(C[N-]S(=O)(=O)c2cc(F)ccc2Br)CCCC1 ZINC000435213169 500944688 /nfs/dbraw/zinc/94/46/88/500944688.db2.gz LPNWKUIITHAKLM-UHFFFAOYSA-N -1 3 350.253 3.447 20 0 FGADHM CC[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000435227520 500946468 /nfs/dbraw/zinc/94/64/68/500946468.db2.gz UFMDRPHOSPAQBY-SKDRFNHKSA-N -1 3 350.253 3.445 20 0 FGADHM O=S(=O)([N-][C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)c1cncc(F)c1 ZINC000435432107 500974524 /nfs/dbraw/zinc/97/45/24/500974524.db2.gz LNPGCPZQHJGVCG-SMDDNHRTSA-N -1 3 361.225 3.362 20 0 FGADHM O=C(N=c1cc(-c2ccccc2)[n-][nH]1)[C@H](c1ccccc1)N1CCCCC1=O ZINC000435678036 501010140 /nfs/dbraw/zinc/01/01/40/501010140.db2.gz LMRNZFUEPBQFKE-NRFANRHFSA-N -1 3 374.444 3.191 20 0 FGADHM COc1ccc(CN2CCC[C@@H]2[C@@H]2CCC[C@H]2O)c(Br)c1[O-] ZINC000449474470 501011831 /nfs/dbraw/zinc/01/18/31/501011831.db2.gz SBBVWHUKMFUAJV-BFHYXJOUSA-N -1 3 370.287 3.289 20 0 FGADHM COc1cc(C)c([N-]S(=O)(=O)c2ccc(F)c(NC(C)=O)c2)cc1C ZINC000435725011 501017916 /nfs/dbraw/zinc/01/79/16/501017916.db2.gz VWMYQBAOPPROLI-UHFFFAOYSA-N -1 3 366.414 3.210 20 0 FGADHM O=S(=O)([N-]CC1(c2ccc(Br)cc2)CCC1)c1ccco1 ZINC000445715898 501023336 /nfs/dbraw/zinc/02/33/36/501023336.db2.gz JVYIFMPLEDFVKR-UHFFFAOYSA-N -1 3 370.268 3.442 20 0 FGADHM CC(C)N(C)c1ccccc1C[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000445730992 501025233 /nfs/dbraw/zinc/02/52/33/501025233.db2.gz DGUJOPSPQVPQSE-UHFFFAOYSA-N -1 3 372.412 3.427 20 0 FGADHM COc1ccc(CN2CC[C@@H]3C[C@H](O)CC[C@H]3C2)c(Br)c1[O-] ZINC000449552363 501031328 /nfs/dbraw/zinc/03/13/28/501031328.db2.gz IVCYVEQJTSBLHC-MBNYWOFBSA-N -1 3 370.287 3.146 20 0 FGADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)Nc1cccc(Oc2ccccn2)c1 ZINC000440740746 501044937 /nfs/dbraw/zinc/04/49/37/501044937.db2.gz OFTCEFKGPLTDJE-UHFFFAOYSA-N -1 3 374.356 3.402 20 0 FGADHM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(C(N)=O)cc2)c(Cl)c1 ZINC000436152282 501078855 /nfs/dbraw/zinc/07/88/55/501078855.db2.gz JQRGYEYURYBIKF-UHFFFAOYSA-N -1 3 368.842 3.027 20 0 FGADHM CCOC(=O)c1ccsc1[N-]C(=O)C(=O)N1CCCC[C@H]1[C@H](C)CC ZINC000441099942 501087798 /nfs/dbraw/zinc/08/77/98/501087798.db2.gz WFLFTCBLOFGOTP-OCCSQVGLSA-N -1 3 366.483 3.291 20 0 FGADHM O=C(Nc1cnn(C(F)F)c1)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000436241851 501094306 /nfs/dbraw/zinc/09/43/06/501094306.db2.gz DOQUEIJSYMAAQK-UHFFFAOYSA-N -1 3 357.316 3.467 20 0 FGADHM CN1CCC[C@@H](CN=c2[n-]ncs2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000450341589 501095889 /nfs/dbraw/zinc/09/58/89/501095889.db2.gz LFIPEQKQXXTPRR-GXTWGEPZSA-N -1 3 356.417 3.474 20 0 FGADHM CCc1cc(=O)[n-]c(CN(C[C@@H](C)O)[C@@H](C)Cc2ccc(Cl)cc2)n1 ZINC000441253039 501109234 /nfs/dbraw/zinc/10/92/34/501109234.db2.gz XCDYEXAXBUCUFF-UONOGXRCSA-N -1 3 363.889 3.212 20 0 FGADHM C[C@@H]1CCN(C(=O)c2cc[nH]c(=O)c2Br)c2c([O-])cccc21 ZINC000446417419 501119151 /nfs/dbraw/zinc/11/91/51/501119151.db2.gz HDBQCLQXDSQHML-SECBINFHSA-N -1 3 363.211 3.409 20 0 FGADHM CC1(C)CCC(NC(=O)CCc2ccc3ccccc3c2[O-])(C(N)=O)CC1 ZINC000450442622 501122772 /nfs/dbraw/zinc/12/27/72/501122772.db2.gz YDOHOYFXSAOTDG-UHFFFAOYSA-N -1 3 368.477 3.419 20 0 FGADHM COc1cccc(C(=O)Nc2ccc(O[C@H]3CCCC[C@@H]3O)cc2)c1[O-] ZINC000436488158 501136728 /nfs/dbraw/zinc/13/67/28/501136728.db2.gz DDQBZOYQJOAABP-IRXDYDNUSA-N -1 3 357.406 3.335 20 0 FGADHM Cc1nc(C(C)(C)NC(=O)c2cc(OCc3ccccc3)ccc2[O-])no1 ZINC000436542557 501151730 /nfs/dbraw/zinc/15/17/30/501151730.db2.gz DBMNYYMBBRNERQ-UHFFFAOYSA-N -1 3 367.405 3.328 20 0 FGADHM COC(=O)c1cc2cc(NC(=O)c3cc(C)cc(OC)c3[O-])ccc2o1 ZINC000436549967 501154372 /nfs/dbraw/zinc/15/43/72/501154372.db2.gz HGWUSCHYQCBHJW-UHFFFAOYSA-N -1 3 355.346 3.494 20 0 FGADHM O=C(NCCCN1CCCCC1=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436557124 501156424 /nfs/dbraw/zinc/15/64/24/501156424.db2.gz QLUKIYGDLOGZEV-UHFFFAOYSA-N -1 3 368.433 3.317 20 0 FGADHM CN(C(=O)c1cc(Cc2ccccc2)ccc1[O-])[C@H]1CN2CCC1CC2 ZINC000436558854 501157349 /nfs/dbraw/zinc/15/73/49/501157349.db2.gz RCTVLPVYYHVGTI-FQEVSTJZSA-N -1 3 350.462 3.149 20 0 FGADHM Cc1cccc(C(=O)NC[C@@H](CO)Cc2c(F)cccc2Cl)c1[O-] ZINC000436582573 501162183 /nfs/dbraw/zinc/16/21/83/501162183.db2.gz IKLVUUVTQMJBDS-LBPRGKRZSA-N -1 3 351.805 3.074 20 0 FGADHM O=C(NCCCO[C@@H]1CCOC1)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436582825 501162561 /nfs/dbraw/zinc/16/25/61/501162561.db2.gz IDAOJFXTISDHKM-LJQANCHMSA-N -1 3 369.461 3.103 20 0 FGADHM C[C@@H]1CN(CCCCNC(=O)c2cc3ccccc3cc2[O-])C[C@@H](C)O1 ZINC000436589398 501165115 /nfs/dbraw/zinc/16/51/15/501165115.db2.gz PFXGMCFSDKVUFP-HZPDHXFCSA-N -1 3 356.466 3.165 20 0 FGADHM Cc1ccc(CNC(=O)c2cc(C)ccc2[O-])c(OC[C@@H]2CCOC2)c1 ZINC000436591315 501165126 /nfs/dbraw/zinc/16/51/26/501165126.db2.gz WQZRZPQZCDESJL-MRXNPFEDSA-N -1 3 355.434 3.354 20 0 FGADHM CC(=O)c1ccc(C(=O)NCc2ccc(N3CCC(C)CC3)nc2)cc1[O-] ZINC000436597795 501166520 /nfs/dbraw/zinc/16/65/20/501166520.db2.gz WUINPRWFNYXELI-UHFFFAOYSA-N -1 3 367.449 3.156 20 0 FGADHM CCc1noc(CC)c1CC(=O)N=c1cc(-c2cc(C)cc(C)c2)[n-][nH]1 ZINC000446810048 501167322 /nfs/dbraw/zinc/16/73/22/501167322.db2.gz MFZGPQUUCQSCJU-UHFFFAOYSA-N -1 3 352.438 3.409 20 0 FGADHM CC[C@H](C)NC(=O)[C@@H](C)NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436611691 501170299 /nfs/dbraw/zinc/17/02/99/501170299.db2.gz LLTKGSOPBANDRY-LSDHHAIUSA-N -1 3 354.450 3.016 20 0 FGADHM C[C@H](CNC(=O)c1ccc(O)cc1[O-])Oc1cccc(Br)c1 ZINC000436618470 501170830 /nfs/dbraw/zinc/17/08/30/501170830.db2.gz LRHMXJNZUXSQKZ-SNVBAGLBSA-N -1 3 366.211 3.058 20 0 FGADHM C[C@H](CNC(=O)c1ccc(O)cc1[O-])Oc1ccc(Br)cc1 ZINC000436619080 501171211 /nfs/dbraw/zinc/17/12/11/501171211.db2.gz NXLOPVCEXWMZSL-SNVBAGLBSA-N -1 3 366.211 3.058 20 0 FGADHM O=C(N[C@H]1CCN(C2CC2)C1)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436623054 501171824 /nfs/dbraw/zinc/17/18/24/501171824.db2.gz YHIFXMZNYJJUGQ-SFHVURJKSA-N -1 3 350.462 3.144 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N2CCc3c(Cl)cccc3C2)c([O-])c1 ZINC000436634988 501174684 /nfs/dbraw/zinc/17/46/84/501174684.db2.gz OFQCXQQKTFYQNQ-UHFFFAOYSA-N -1 3 372.852 3.059 20 0 FGADHM O=C(NCC1CCN(Cc2ccccc2Cl)CC1)c1c([O-])cccc1O ZINC000436646050 501178071 /nfs/dbraw/zinc/17/80/71/501178071.db2.gz DYGQHDZTIGVEIX-UHFFFAOYSA-N -1 3 374.868 3.393 20 0 FGADHM C[C@@H](CNC(=O)c1c([O-])cccc1O)Oc1ccc(Br)cc1 ZINC000436647430 501178262 /nfs/dbraw/zinc/17/82/62/501178262.db2.gz KQIBTDMKAZHCCQ-JTQLQIEISA-N -1 3 366.211 3.058 20 0 FGADHM COc1cccc(C(C)(C)C[N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000441893108 501181530 /nfs/dbraw/zinc/18/15/30/501181530.db2.gz QZZCZFDTNNZXAN-UHFFFAOYSA-N -1 3 355.406 3.230 20 0 FGADHM C[C@H]1COCC[C@@H]1CNC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436666609 501182528 /nfs/dbraw/zinc/18/25/28/501182528.db2.gz UQQXORPCYORXFE-DOTOQJQBSA-N -1 3 355.434 3.374 20 0 FGADHM CCO[C@H]1C[C@H](NC(=O)c2cc(OC)c([O-])c(OC)c2)C12CCCCC2 ZINC000436667052 501183294 /nfs/dbraw/zinc/18/32/94/501183294.db2.gz WLGHYIDRNXEGKV-IRXDYDNUSA-N -1 3 363.454 3.267 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N2CC[C@H](c3ccccc3C)C2)c([O-])c1 ZINC000436668415 501183620 /nfs/dbraw/zinc/18/36/20/501183620.db2.gz YAFSCEYCIWQJPG-KRWDZBQOSA-N -1 3 366.461 3.145 20 0 FGADHM COCCOc1ccccc1CNC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436678402 501186143 /nfs/dbraw/zinc/18/61/43/501186143.db2.gz BSMDFVRLJZSABI-UHFFFAOYSA-N -1 3 371.433 3.061 20 0 FGADHM Cc1ccc(C(=O)NCCc2nc(-c3cccc(C)c3F)no2)c([O-])c1 ZINC000436684967 501187712 /nfs/dbraw/zinc/18/77/12/501187712.db2.gz JPVINPMXGGIYNV-UHFFFAOYSA-N -1 3 355.369 3.171 20 0 FGADHM CCCN(CC(=O)Nc1ccccc1OC)C(=O)c1ccc([O-])c(CC)c1 ZINC000436684703 501187821 /nfs/dbraw/zinc/18/78/21/501187821.db2.gz FCAOUPPEOMCIND-UHFFFAOYSA-N -1 3 370.449 3.454 20 0 FGADHM CCn1c(=O)[n-]nc1SC[C@H](COC)c1ccc(Br)cc1 ZINC000450700714 501189028 /nfs/dbraw/zinc/18/90/28/501189028.db2.gz FHAVKSHLKVWJGB-NSHDSACASA-N -1 3 372.288 3.288 20 0 FGADHM Cc1ccccc1-c1cc(=NC(=O)C(=O)Nc2cccc(Cl)c2)[nH][n-]1 ZINC000436692375 501189957 /nfs/dbraw/zinc/18/99/57/501189957.db2.gz MNVAAHGJYBUZGZ-UHFFFAOYSA-N -1 3 354.797 3.038 20 0 FGADHM Cc1ccc(C(=O)N[C@@H]2CCCN([C@@H](C)c3ccc(F)cc3)C2=O)c([O-])c1 ZINC000436697472 501190781 /nfs/dbraw/zinc/19/07/81/501190781.db2.gz TUEUZYVZGBBWET-KBXCAEBGSA-N -1 3 370.424 3.322 20 0 FGADHM Cc1cccc(C(=O)N[C@@H]2CCCN([C@H](C)c3ccc(F)cc3)C2=O)c1[O-] ZINC000436701027 501191288 /nfs/dbraw/zinc/19/12/88/501191288.db2.gz XVTVFWAIIQMNBY-RDTXWAMCSA-N -1 3 370.424 3.322 20 0 FGADHM Cc1ccc(C(=O)N[C@@H](CO)c2cccc(Br)c2)c([O-])c1C ZINC000436702038 501191367 /nfs/dbraw/zinc/19/13/67/501191367.db2.gz GMLDNJWRTBBHIX-HNNXBMFYSA-N -1 3 364.239 3.235 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)Nc2nc3ccccc3s2)c([O-])c1 ZINC000436706414 501193124 /nfs/dbraw/zinc/19/31/24/501193124.db2.gz MPPGMNOCXBNTMS-UHFFFAOYSA-N -1 3 355.419 3.069 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N2CCC[C@@H]2c2ccsc2)c([O-])c1 ZINC000436710449 501193995 /nfs/dbraw/zinc/19/39/95/501193995.db2.gz UKDGIWZAECITJI-MRXNPFEDSA-N -1 3 358.463 3.246 20 0 FGADHM CCOc1cc(CCCNC(=O)c2cc(OC)ccc2[O-])ccc1OC ZINC000436717522 501195529 /nfs/dbraw/zinc/19/55/29/501195529.db2.gz GUWMYSLOHNQPIY-UHFFFAOYSA-N -1 3 359.422 3.171 20 0 FGADHM Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000436721879 501197222 /nfs/dbraw/zinc/19/72/22/501197222.db2.gz LLFFRBIHSHAVMJ-NVXWUHKLSA-N -1 3 366.461 3.228 20 0 FGADHM COc1ccc([C@@H]2CCCN2C(=O)c2cc(OC)ccc2[O-])c(OC)c1 ZINC000436722407 501197275 /nfs/dbraw/zinc/19/72/75/501197275.db2.gz NDSMNXRNOBIXHH-KRWDZBQOSA-N -1 3 357.406 3.395 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@H]3CCO[C@@H](C(C)C)C3)nc2)n1 ZINC000450737675 501197795 /nfs/dbraw/zinc/19/77/95/501197795.db2.gz LVJMJYWHNOUODS-WMLDXEAASA-N -1 3 356.470 3.092 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N2CCC(CC(F)(F)F)CC2)c([O-])c1 ZINC000436724384 501197946 /nfs/dbraw/zinc/19/79/46/501197946.db2.gz PQWOWBQBFRCAQG-UHFFFAOYSA-N -1 3 372.387 3.012 20 0 FGADHM O=C(N[C@@H]1CSc2ccc(Br)cc21)c1ccc(O)cc1[O-] ZINC000436729455 501198464 /nfs/dbraw/zinc/19/84/64/501198464.db2.gz BAHBQKMQOFOADV-GFCCVEGCSA-N -1 3 366.236 3.437 20 0 FGADHM COc1cccc(C(=O)NCCc2cnc(SC3CCCC3)nc2)c1[O-] ZINC000436729633 501198923 /nfs/dbraw/zinc/19/89/23/501198923.db2.gz SGGKVFZKCBIXNX-UHFFFAOYSA-N -1 3 373.478 3.198 20 0 FGADHM Cc1cccc(C(=O)NC[C@H](c2ccccc2Cl)N2CCOCC2)c1[O-] ZINC000436759462 501205840 /nfs/dbraw/zinc/20/58/40/501205840.db2.gz BNELKXZRIUJQIV-GOSISDBHSA-N -1 3 374.868 3.157 20 0 FGADHM C[C@@H]1CCC[C@@H](CCNC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)C1 ZINC000436771027 501208286 /nfs/dbraw/zinc/20/82/86/501208286.db2.gz RSNNXWVHPYHZKY-SJORKVTESA-N -1 3 373.497 3.076 20 0 FGADHM CS(=O)(=O)c1cc(-c2nc(-c3ccc([O-])cc3)no2)ccc1Cl ZINC000436770601 501208854 /nfs/dbraw/zinc/20/88/54/501208854.db2.gz RUWHGJWNOPRTPX-UHFFFAOYSA-N -1 3 350.783 3.166 20 0 FGADHM O=C(N[C@H]1CCN(c2ccc(Br)cc2)C1)c1ccccc1[O-] ZINC000436775196 501209383 /nfs/dbraw/zinc/20/93/83/501209383.db2.gz PFGLZDHZTMHMOC-ZDUSSCGKSA-N -1 3 361.239 3.163 20 0 FGADHM Cc1ccc(CCCC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000436774264 501209443 /nfs/dbraw/zinc/20/94/43/501209443.db2.gz MKNYBAKHTLOFLK-UHFFFAOYSA-N -1 3 366.461 3.008 20 0 FGADHM COc1cccc(C(=O)N[C@@H](CC(=O)OC(C)C)c2ccccc2)c1[O-] ZINC000436776764 501209736 /nfs/dbraw/zinc/20/97/36/501209736.db2.gz LXHLVIXGGVGSFQ-INIZCTEOSA-N -1 3 357.406 3.214 20 0 FGADHM CCN1CCN(Cc2ccc(NC(=O)c3cc(C)ccc3[O-])cc2)CC1 ZINC000436777342 501209923 /nfs/dbraw/zinc/20/99/23/501209923.db2.gz CGVHPQNGDMDDFW-UHFFFAOYSA-N -1 3 353.466 3.090 20 0 FGADHM COc1cc(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)cc(OC)c1OC ZINC000436779610 501209996 /nfs/dbraw/zinc/20/99/96/501209996.db2.gz XGMDDQSHIXCJLS-UHFFFAOYSA-N -1 3 373.405 3.384 20 0 FGADHM COC[C@H](NC(=O)c1cc(NC(C)=O)ccc1[O-])c1cccc(Cl)c1 ZINC000436787952 501211429 /nfs/dbraw/zinc/21/14/29/501211429.db2.gz RSGLOBXTDTYCEY-INIZCTEOSA-N -1 3 362.813 3.122 20 0 FGADHM COc1ccc(CC[C@H](C)NC(=O)c2cc(NC(C)=O)ccc2[O-])cc1 ZINC000436787148 501211487 /nfs/dbraw/zinc/21/14/87/501211487.db2.gz MRQZHSMGKDZCDT-ZDUSSCGKSA-N -1 3 356.422 3.110 20 0 FGADHM CN(C)Cc1ccc(NC(=O)c2ccc(O)cc2[O-])cc1Br ZINC000436791317 501212115 /nfs/dbraw/zinc/21/21/15/501212115.db2.gz JRNYZFKBXBHPTG-UHFFFAOYSA-N -1 3 365.227 3.174 20 0 FGADHM CCOc1ccc(CN2CCN(C(=O)c3ccc(CC)cc3[O-])CC2)cc1 ZINC000436804962 501214047 /nfs/dbraw/zinc/21/40/47/501214047.db2.gz CMSPKCZXYIIRNR-UHFFFAOYSA-N -1 3 368.477 3.311 20 0 FGADHM O=C(NCc1nc(-c2cccc(Br)c2)no1)c1ccccc1[O-] ZINC000436807594 501214414 /nfs/dbraw/zinc/21/44/14/501214414.db2.gz JBGSIAQDMJVDHT-UHFFFAOYSA-N -1 3 374.194 3.135 20 0 FGADHM Cc1oc2ccccc2c1CNC(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC000436813106 501215342 /nfs/dbraw/zinc/21/53/42/501215342.db2.gz CUZWBZZQLGMOHA-UHFFFAOYSA-N -1 3 366.417 3.192 20 0 FGADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCc2cc[nH]c(=O)c2C1 ZINC000436812108 501215574 /nfs/dbraw/zinc/21/55/74/501215574.db2.gz DBTHIEJTUKNVPU-UHFFFAOYSA-N -1 3 362.385 3.484 20 0 FGADHM COc1ccc(-c2cnc(NC(=O)c3cc(OC)ccc3[O-])n2C)cc1 ZINC000436822279 501216925 /nfs/dbraw/zinc/21/69/25/501216925.db2.gz SUNPGTNAULYQPH-UHFFFAOYSA-N -1 3 353.378 3.062 20 0 FGADHM CCc1ccc(C(=O)N(CC(=O)OC)Cc2ccc(F)c(F)c2)c([O-])c1 ZINC000436824396 501217075 /nfs/dbraw/zinc/21/70/75/501217075.db2.gz ZMLHMVXWWPHVHJ-UHFFFAOYSA-N -1 3 363.360 3.048 20 0 FGADHM O=C(Nc1cccc(CN2CC[C@@H](O)C2)c1)c1cc(F)c([O-])c(Cl)c1 ZINC000436833597 501218574 /nfs/dbraw/zinc/21/85/74/501218574.db2.gz KGXMOGRPCOMLIS-CQSZACIVSA-N -1 3 364.804 3.004 20 0 FGADHM Cc1ccnc(-c2n[nH]c([C@@H](C)NC(=O)c3ccc(C(C)C)cc3[O-])n2)c1 ZINC000436833984 501218659 /nfs/dbraw/zinc/21/86/59/501218659.db2.gz KXBOEPPPKRSFJR-CYBMUJFWSA-N -1 3 365.437 3.495 20 0 FGADHM O=C(c1ccccc1[O-])N1CCN(CCCc2ccccc2Cl)CC1 ZINC000436841325 501219480 /nfs/dbraw/zinc/21/94/80/501219480.db2.gz YXVYHGULRLJWDL-UHFFFAOYSA-N -1 3 358.869 3.436 20 0 FGADHM CC(=O)c1[n-]c(=NC2CCN(C(=O)CCc3ccccc3)CC2)sc1C ZINC000450254739 501220006 /nfs/dbraw/zinc/22/00/06/501220006.db2.gz VOTYOWIZXWYBAZ-UHFFFAOYSA-N -1 3 371.506 3.112 20 0 FGADHM Cc1ccc(C(=O)N[C@H]2CCCN(Cc3c(F)cccc3F)C2)c([O-])c1 ZINC000436866112 501223839 /nfs/dbraw/zinc/22/38/39/501223839.db2.gz WTZDZEBKAJOMON-AWEZNQCLSA-N -1 3 360.404 3.373 20 0 FGADHM O=C(CCCc1nc(-c2ccc([O-])cc2)no1)c1ccc2c(c1)OCCO2 ZINC000436872186 501224941 /nfs/dbraw/zinc/22/49/41/501224941.db2.gz TUHFNPYUZHJASC-UHFFFAOYSA-N -1 3 366.373 3.419 20 0 FGADHM CC(C)(C)OC(=O)c1ccc(CN2CCC[C@@H](c3n[n-]c(=O)o3)C2)cc1 ZINC000450893460 501225096 /nfs/dbraw/zinc/22/50/96/501225096.db2.gz BXZZZQGZJZDTAI-OAHLLOKOSA-N -1 3 359.426 3.110 20 0 FGADHM CN1CC[C@H](NC(=O)Cc2ccc([O-])c(F)c2)[C@H]1c1ccc(Cl)cc1 ZINC000450283510 501225280 /nfs/dbraw/zinc/22/52/80/501225280.db2.gz AGPBIRANZSVJFN-QFBILLFUSA-N -1 3 362.832 3.289 20 0 FGADHM [O-]c1ccc(-c2noc([C@@H](c3cccc(F)c3)N3CCOCC3)n2)cc1 ZINC000436874145 501225624 /nfs/dbraw/zinc/22/56/24/501225624.db2.gz ZLZRGNIDUWRAHB-QGZVFWFLSA-N -1 3 355.369 3.003 20 0 FGADHM O=c1[n-]nc([C@H]2CCCN(CCc3cccc(OC(F)(F)F)c3)C2)o1 ZINC000450897008 501225850 /nfs/dbraw/zinc/22/58/50/501225850.db2.gz PMDILDISNBHAKN-LBPRGKRZSA-N -1 3 357.332 3.096 20 0 FGADHM COc1cccc(C(=O)NC[C@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)c1[O-] ZINC000436878835 501226208 /nfs/dbraw/zinc/22/62/08/501226208.db2.gz VAWMNQROVXNEAB-GHTZIAJQSA-N -1 3 373.424 3.044 20 0 FGADHM CCOC(=O)c1csc(=NC[C@H]2CCCN(Cc3cccs3)C2)[n-]1 ZINC000450294296 501227427 /nfs/dbraw/zinc/22/74/27/501227427.db2.gz ZZZCWESXVMFOSX-CYBMUJFWSA-N -1 3 365.524 3.127 20 0 FGADHM CSC[C@H](CCO)NC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436905130 501230375 /nfs/dbraw/zinc/23/03/75/501230375.db2.gz ZEFTUCBZBIWDDN-KRWDZBQOSA-N -1 3 359.491 3.021 20 0 FGADHM CC(C)CN(C)C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436908379 501230974 /nfs/dbraw/zinc/23/09/74/501230974.db2.gz ITIIIXXLYBHOMD-IBGZPJMESA-N -1 3 354.450 3.368 20 0 FGADHM COc1cccc(C(=O)N[C@H]2CCCN(c3ccccc3Cl)C2)c1[O-] ZINC000436913830 501232258 /nfs/dbraw/zinc/23/22/58/501232258.db2.gz HGAKQRXCWJYEPI-ZDUSSCGKSA-N -1 3 360.841 3.453 20 0 FGADHM Cc1ccccc1NC(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436917441 501232457 /nfs/dbraw/zinc/23/24/57/501232457.db2.gz DPOZDGRRIVDUSG-UHFFFAOYSA-N -1 3 353.422 3.127 20 0 FGADHM Cc1csc(S(=O)(=O)[N-][C@H](c2ccc(F)cc2)[C@@H]2CCCO2)c1 ZINC000451095168 501245149 /nfs/dbraw/zinc/24/51/49/501245149.db2.gz HZYJQYRGXNBTNP-GOEBONIOSA-N -1 3 355.456 3.394 20 0 FGADHM COCCOCCS(=O)(=O)[N-]c1cccc(-c2ccc(F)c(F)c2)c1 ZINC000451101046 501245636 /nfs/dbraw/zinc/24/56/36/501245636.db2.gz AMFYVPJGRVOUAR-UHFFFAOYSA-N -1 3 371.405 3.037 20 0 FGADHM CCO[C@@H]1C[C@@](O)(CNC(=O)CCc2ccc3ccccc3c2[O-])C1(C)C ZINC000451115135 501246587 /nfs/dbraw/zinc/24/65/87/501246587.db2.gz NJHUETVBCRLIJK-XMSQKQJNSA-N -1 3 371.477 3.160 20 0 FGADHM Cc1ccc([C@H](C[N-]S(=O)(=O)c2sccc2Cl)N(C)C)cc1 ZINC000451132545 501247415 /nfs/dbraw/zinc/24/74/15/501247415.db2.gz WRIJJURBNHMLFF-AWEZNQCLSA-N -1 3 358.916 3.291 20 0 FGADHM Cc1csc(S(=O)(=O)[N-]C[C@@H]2CCCN(C)[C@H]2c2cccs2)c1 ZINC000451241178 501254276 /nfs/dbraw/zinc/25/42/76/501254276.db2.gz KGONPMDTJFPSII-XJKSGUPXSA-N -1 3 370.565 3.479 20 0 FGADHM Cc1csc(S(=O)(=O)[N-][C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)c1 ZINC000451367018 501276450 /nfs/dbraw/zinc/27/64/50/501276450.db2.gz KOCOEEKJXQDWMH-HIFRSBDPSA-N -1 3 359.419 3.143 20 0 FGADHM CC(C)[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc3ccccc3c2F)CCO1 ZINC000451373749 501278301 /nfs/dbraw/zinc/27/83/01/501278301.db2.gz HTRAKDOWKUQIMF-ZBFHGGJFSA-N -1 3 351.443 3.461 20 0 FGADHM COC(=O)c1cc(Cl)c(C)c(S(=O)(=O)[N-][C@@H](C)CC(F)(F)F)c1 ZINC000451398434 501282912 /nfs/dbraw/zinc/28/29/12/501282912.db2.gz DZHHZXBUHJWWPK-ZETCQYMHSA-N -1 3 373.780 3.054 20 0 FGADHM C[C@@H]1Oc2ccccc2[C@H]1[N-]S(=O)(=O)Cc1c(F)cccc1Cl ZINC000451556690 501323358 /nfs/dbraw/zinc/32/33/58/501323358.db2.gz NFJUPZYBAASRGO-QFYYESIMSA-N -1 3 355.818 3.421 20 0 FGADHM COC[C@H]([N-]S(=O)(=O)C[C@@H]1CCCC1(F)F)c1cccc(Cl)c1 ZINC000451567521 501326437 /nfs/dbraw/zinc/32/64/37/501326437.db2.gz PGAFLEJDLCBXQT-JSGCOSHPSA-N -1 3 367.845 3.382 20 0 FGADHM CC1(C)C[C@@H](CNC(=O)NCc2ccc([O-])c(Br)c2)CCO1 ZINC000455635724 501352922 /nfs/dbraw/zinc/35/29/22/501352922.db2.gz YTECZFONGXZDIW-LBPRGKRZSA-N -1 3 371.275 3.159 20 0 FGADHM COc1ccc(CNCCc2ccc(C)cn2)c(Br)c1[O-] ZINC000453597437 501357327 /nfs/dbraw/zinc/35/73/27/501357327.db2.gz HWVJVOXCUXDIPJ-UHFFFAOYSA-N -1 3 351.244 3.199 20 0 FGADHM CC[C@](C)(C[N-]S(=O)(=O)c1cc(Cl)ccc1Br)OC ZINC000451793898 501373281 /nfs/dbraw/zinc/37/32/81/501373281.db2.gz FOALLRCJXLDWQE-GFCCVEGCSA-N -1 3 370.696 3.196 20 0 FGADHM CC[C@](C)(C[N-]S(=O)(=O)c1ccc(-c2csc(C)n2)s1)OC ZINC000451797068 501373408 /nfs/dbraw/zinc/37/34/08/501373408.db2.gz NZWNIRSUDVYADO-CQSZACIVSA-N -1 3 360.526 3.273 20 0 FGADHM CO[C@@](C)(C[N-]S(=O)(=O)Cc1ccccc1Cl)c1ccccc1 ZINC000451820316 501379797 /nfs/dbraw/zinc/37/97/97/501379797.db2.gz ADTQKTMCRPAYAN-KRWDZBQOSA-N -1 3 353.871 3.321 20 0 FGADHM CCOc1ccc(Cl)c(NC(=O)NCc2nnc(C(F)(F)F)[n-]2)c1 ZINC000455762312 501381233 /nfs/dbraw/zinc/38/12/33/501381233.db2.gz ZDVZJGOPQJGOKX-UHFFFAOYSA-N -1 3 363.727 3.197 20 0 FGADHM CCOc1ccc(Cl)c(NC(=O)NCc2n[n-]c(C(F)(F)F)n2)c1 ZINC000455762312 501381236 /nfs/dbraw/zinc/38/12/36/501381236.db2.gz ZDVZJGOPQJGOKX-UHFFFAOYSA-N -1 3 363.727 3.197 20 0 FGADHM CCOc1ccc(Cl)c(NC(=O)NCc2nc(C(F)(F)F)n[n-]2)c1 ZINC000455762312 501381241 /nfs/dbraw/zinc/38/12/41/501381241.db2.gz ZDVZJGOPQJGOKX-UHFFFAOYSA-N -1 3 363.727 3.197 20 0 FGADHM CCCc1ncc(C[N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)o1 ZINC000451960582 501409269 /nfs/dbraw/zinc/40/92/69/501409269.db2.gz PUTRRGHWVUBGBY-UHFFFAOYSA-N -1 3 366.336 3.264 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-][C@@H](c1cccs1)C1(CO)CCC1 ZINC000452085068 501432135 /nfs/dbraw/zinc/43/21/35/501432135.db2.gz LQZAJKXIRPAEPB-ZDUSSCGKSA-N -1 3 373.521 3.000 20 0 FGADHM COC[C@@H]1CCCN(C(=O)NCc2ccc([O-])c(Br)c2)CC1 ZINC000458545062 501470516 /nfs/dbraw/zinc/47/05/16/501470516.db2.gz FMUXOHQTUUGKHR-GFCCVEGCSA-N -1 3 371.275 3.113 20 0 FGADHM CC(C)c1nnc(CNC(=O)c2cc(OCc3ccccc3)ccc2[O-])[nH]1 ZINC000452415862 501495644 /nfs/dbraw/zinc/49/56/44/501495644.db2.gz BONUKAKVFVRZMU-UHFFFAOYSA-N -1 3 366.421 3.143 20 0 FGADHM CS(=O)(=O)[N-]c1cc(C(=O)Nc2ccc3c(c2)CCCC3)ccc1F ZINC000452440225 501500709 /nfs/dbraw/zinc/50/07/09/501500709.db2.gz NYQPGXLPIANKQB-UHFFFAOYSA-N -1 3 362.426 3.328 20 0 FGADHM C[C@@H](NC(=O)c1sccc1S(=O)(=O)[N-]C1CCCCCC1)C1CC1 ZINC000452548847 501521466 /nfs/dbraw/zinc/52/14/66/501521466.db2.gz XLIWNBRTTXEIKV-GFCCVEGCSA-N -1 3 370.540 3.278 20 0 FGADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@@H]1CCCc2nc[nH]c21 ZINC000452746167 501554908 /nfs/dbraw/zinc/55/49/08/501554908.db2.gz FZNGHRFMTRVKHQ-SECBINFHSA-N -1 3 350.216 3.245 20 0 FGADHM COc1ccc(CN(C)Cc2cc(=O)[n-]c(C3CC3)n2)cc1OC(F)F ZINC000459304921 501627757 /nfs/dbraw/zinc/62/77/57/501627757.db2.gz HCEMTXPOCQJNFC-UHFFFAOYSA-N -1 3 365.380 3.302 20 0 FGADHM O=c1cc(CN2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)nc(C2CC2)[n-]1 ZINC000459331537 501632920 /nfs/dbraw/zinc/63/29/20/501632920.db2.gz VOCXQTPHYHUBFR-MRXNPFEDSA-N -1 3 363.820 3.426 20 0 FGADHM CCCN(C(=O)c1cccs1)C1CCN(Cc2ncccc2[O-])CC1 ZINC000582513472 506264793 /nfs/dbraw/zinc/26/47/93/506264793.db2.gz GKDUKFHOQHXSFL-UHFFFAOYSA-N -1 3 359.495 3.366 20 0 FGADHM CCOc1cc(CN2CCC[C@H]2[C@H](O)C(F)(F)F)cc(Cl)c1[O-] ZINC000459337637 501634512 /nfs/dbraw/zinc/63/45/12/501634512.db2.gz RDBAVPVYLQXUGL-FZMZJTMJSA-N -1 3 353.768 3.332 20 0 FGADHM CC[C@H]1CN(C(C)=O)[C@@H](CC)CN1Cc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000459357277 501638045 /nfs/dbraw/zinc/63/80/45/501638045.db2.gz MBNIVRBFANWTSH-OALUTQOASA-N -1 3 368.481 3.071 20 0 FGADHM CCCN(Cc1cc(=O)[n-]c(C2CC2)n1)[C@H](C)C(=O)Nc1ccccc1 ZINC000459355161 501638276 /nfs/dbraw/zinc/63/82/76/501638276.db2.gz HWQRKQCTSPCMPB-CQSZACIVSA-N -1 3 354.454 3.299 20 0 FGADHM CCO[C@@H](C)c1noc(CN(C)Cc2cccc([O-])c2Br)n1 ZINC000459360327 501639306 /nfs/dbraw/zinc/63/93/06/501639306.db2.gz FNUZYWPXBMOIEC-JTQLQIEISA-N -1 3 370.247 3.267 20 0 FGADHM Cc1ccc([C@@H]2COCCN2Cc2cc(=O)[n-]c(-c3ccccc3)n2)o1 ZINC000459361658 501639377 /nfs/dbraw/zinc/63/93/77/501639377.db2.gz GXVWUSTYIUOGRR-KRWDZBQOSA-N -1 3 351.406 3.324 20 0 FGADHM O=c1cc(CN2CCCC[C@@H]2[C@@H](O)C(F)(F)F)nc(-c2ccccc2)[n-]1 ZINC000459378310 501642301 /nfs/dbraw/zinc/64/23/01/501642301.db2.gz QQHMOSUSTUQNKZ-GDBMZVCRSA-N -1 3 367.371 3.127 20 0 FGADHM Cn1ccnc1C[C@@H]1CCCN(Cc2cc(=O)[n-]c(-c3ccccc3)n2)C1 ZINC000459385439 501643689 /nfs/dbraw/zinc/64/36/89/501643689.db2.gz HRINTMUCSYDJFA-INIZCTEOSA-N -1 3 363.465 3.037 20 0 FGADHM CC(C)[C@H]1CCN1C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000454856650 501644559 /nfs/dbraw/zinc/64/45/59/501644559.db2.gz OICBGQJKQVINKM-CQSZACIVSA-N -1 3 371.478 3.165 20 0 FGADHM CC(C)NC(=O)[C@@H]1CCC[C@@H](NCc2cccc([O-])c2Br)C1 ZINC000459405914 501647970 /nfs/dbraw/zinc/64/79/70/501647970.db2.gz FNAXGSCYEIZYIZ-TZMCWYRMSA-N -1 3 369.303 3.328 20 0 FGADHM CC(C)c1nc2n(n1)CCC[C@H]2NCc1cccc([O-])c1Br ZINC000459432211 501653107 /nfs/dbraw/zinc/65/31/07/501653107.db2.gz KVOCJCGZORGMOK-GFCCVEGCSA-N -1 3 365.275 3.494 20 0 FGADHM CCOc1cc(CN2C[C@@H](C)OC3(CCOCC3)C2)cc(Cl)c1[O-] ZINC000459499472 501664392 /nfs/dbraw/zinc/66/43/92/501664392.db2.gz DUKBTHMOSKZAOE-CYBMUJFWSA-N -1 3 355.862 3.214 20 0 FGADHM COc1cc(CCO)ccc1NCc1cccc([O-])c1Br ZINC000459514595 501667530 /nfs/dbraw/zinc/66/75/30/501667530.db2.gz SYRAMGKOYIWHIG-UHFFFAOYSA-N -1 3 352.228 3.310 20 0 FGADHM C[C@@H]1CN(Cc2cccc([O-])c2Br)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000459524082 501669448 /nfs/dbraw/zinc/66/94/48/501669448.db2.gz YVNYVBWPHPJMOQ-XNJGSVPQSA-N -1 3 370.287 3.313 20 0 FGADHM [O-]c1cccc(CNC2CCN(c3nccs3)CC2)c1Br ZINC000459548757 501674552 /nfs/dbraw/zinc/67/45/52/501674552.db2.gz YDXXENZRNGETNU-UHFFFAOYSA-N -1 3 368.300 3.370 20 0 FGADHM CC(C)(C[C@H]1CCCN(Cc2cccc([O-])c2Br)C1)C(N)=O ZINC000459563884 501677648 /nfs/dbraw/zinc/67/76/48/501677648.db2.gz HJFHBZWFYMPXKI-GFCCVEGCSA-N -1 3 369.303 3.268 20 0 FGADHM CON1CCC(N(C)Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)CC1 ZINC000459572371 501678947 /nfs/dbraw/zinc/67/89/47/501678947.db2.gz ADZJBVFDBLKOOT-UHFFFAOYSA-N -1 3 374.466 3.115 20 0 FGADHM C[C@@H](C(=O)Nc1cccc([C@]2(C)NC(=O)[N-]C2=O)c1)c1cccc(Cl)c1 ZINC000607800212 506268275 /nfs/dbraw/zinc/26/82/75/506268275.db2.gz PMPCVRTWVMMXQX-WYRIXSBYSA-N -1 3 371.824 3.137 20 0 FGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)N1CC[C@@H](CC2CC2)C1 ZINC000455249515 501716343 /nfs/dbraw/zinc/71/63/43/501716343.db2.gz QRNFRRREOYQKBB-LBPRGKRZSA-N -1 3 363.259 3.173 20 0 FGADHM CCOC(=O)CCC[N-]S(=O)(=O)c1oc2ccc(Cl)cc2c1C ZINC000470558706 501727351 /nfs/dbraw/zinc/72/73/51/501727351.db2.gz JNQWRYBZWSENLV-UHFFFAOYSA-N -1 3 359.831 3.016 20 0 FGADHM CC(=O)c1ccc(NC(=O)NCc2nnc(C(F)(F)F)[n-]2)cc1Cl ZINC000481277313 501730367 /nfs/dbraw/zinc/73/03/67/501730367.db2.gz KRLMRTWLBVDJOG-UHFFFAOYSA-N -1 3 361.711 3.001 20 0 FGADHM CC(=O)c1ccc(NC(=O)NCc2n[n-]c(C(F)(F)F)n2)cc1Cl ZINC000481277313 501730371 /nfs/dbraw/zinc/73/03/71/501730371.db2.gz KRLMRTWLBVDJOG-UHFFFAOYSA-N -1 3 361.711 3.001 20 0 FGADHM CC(=O)c1ccc(NC(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1Cl ZINC000481277313 501730373 /nfs/dbraw/zinc/73/03/73/501730373.db2.gz KRLMRTWLBVDJOG-UHFFFAOYSA-N -1 3 361.711 3.001 20 0 FGADHM Cc1ccsc1[C@H](CO)[N-]S(=O)(=O)Cc1ccc(Cl)c(F)c1 ZINC000477586749 501731546 /nfs/dbraw/zinc/73/15/46/501731546.db2.gz DNDYLVMWDKTJSP-ZDUSSCGKSA-N -1 3 363.863 3.002 20 0 FGADHM COC(=O)c1c(F)ccc([N-]C(=O)c2cnc([C@@H]3CCCO3)s2)c1F ZINC000485157645 501741366 /nfs/dbraw/zinc/74/13/66/501741366.db2.gz BZKFHHMGNYASHQ-JTQLQIEISA-N -1 3 368.361 3.312 20 0 FGADHM O=C([N-]c1nnc(SCc2cccs2)s1)c1cnn2ccncc12 ZINC000477633279 501745558 /nfs/dbraw/zinc/74/55/58/501745558.db2.gz LEESBTUEGAIIAO-UHFFFAOYSA-N -1 3 374.476 3.187 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)c1ccc2nc(C(F)(F)F)cn2c1 ZINC000474241649 501757201 /nfs/dbraw/zinc/75/72/01/501757201.db2.gz FZOGWAAYRHOYBP-UHFFFAOYSA-N -1 3 353.275 3.128 20 0 FGADHM CCC1(CC)Oc2ccc(NC(=O)Cc3c(C)nc(C)[n-]c3=O)cc2O1 ZINC000470737367 501787735 /nfs/dbraw/zinc/78/77/35/501787735.db2.gz OTCSGLWCXMUBKP-UHFFFAOYSA-N -1 3 357.410 3.268 20 0 FGADHM CCSc1nnc([N-]C(=O)c2ccc(-c3cncnc3)cc2F)s1 ZINC000481488009 501789239 /nfs/dbraw/zinc/78/92/39/501789239.db2.gz CGRWJHOOEQRESI-UHFFFAOYSA-N -1 3 361.427 3.499 20 0 FGADHM O=S(=O)(Cc1ccccc1)[N-][C@H](CO)c1c(Cl)cccc1Cl ZINC000481489513 501790018 /nfs/dbraw/zinc/79/00/18/501790018.db2.gz HSRRECSMYYIVPB-CQSZACIVSA-N -1 3 360.262 3.146 20 0 FGADHM Cc1cc(=O)c(-c2noc(CCCc3ccc([O-])c(F)c3)n2)c2n1CCC2 ZINC000485368652 501798838 /nfs/dbraw/zinc/79/88/38/501798838.db2.gz SQGZDZOMLZDOCQ-UHFFFAOYSA-N -1 3 369.396 3.173 20 0 FGADHM Cc1nncn1-c1cccc([N-]S(=O)(=O)c2c(C)cc(F)cc2C)c1 ZINC000485389138 501805708 /nfs/dbraw/zinc/80/57/08/501805708.db2.gz JJMZPEPLKXPQOU-UHFFFAOYSA-N -1 3 360.414 3.132 20 0 FGADHM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1ccc(F)c(C(=O)N(C)C)c1 ZINC000485394807 501808569 /nfs/dbraw/zinc/80/85/69/501808569.db2.gz JUPXDHCQGXXVAN-UHFFFAOYSA-N -1 3 368.405 3.084 20 0 FGADHM Cn1[n-]c(=NC(=O)C(C)(C)c2ccc(Cl)cc2F)cc1OC(F)F ZINC000474369778 501809007 /nfs/dbraw/zinc/80/90/07/501809007.db2.gz UUVQGLDFOWZBDR-UHFFFAOYSA-N -1 3 361.751 3.152 20 0 FGADHM CCn1cc(S(=O)(=O)[N-][C@@H](C)c2cc3cccc(F)c3o2)nc1C ZINC000474374649 501811464 /nfs/dbraw/zinc/81/14/64/501811464.db2.gz HLPWNCXFFNHKAE-JTQLQIEISA-N -1 3 351.403 3.136 20 0 FGADHM COCc1nc(S[C@H](C(=O)Nc2ccccc2)c2ccccc2)n[n-]1 ZINC000474393707 501820223 /nfs/dbraw/zinc/82/02/23/501820223.db2.gz ZDWDUMCQWUXNOM-INIZCTEOSA-N -1 3 354.435 3.423 20 0 FGADHM COCc1nc(S[C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)n[n-]1 ZINC000474413764 501827797 /nfs/dbraw/zinc/82/77/97/501827797.db2.gz RRPVOTOJXBZLLY-QMMMGPOBSA-N -1 3 360.361 3.089 20 0 FGADHM CCOC(=O)c1c(C(C)C)csc1[N-]C(=O)C(=O)N1C[C@H](C)C[C@H]1C ZINC000467679768 501844048 /nfs/dbraw/zinc/84/40/48/501844048.db2.gz CACXNMLSASWRCT-VXGBXAGGSA-N -1 3 366.483 3.244 20 0 FGADHM C[C@@H](OCc1ccccc1)C(=O)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1 ZINC000467716348 501852181 /nfs/dbraw/zinc/85/21/81/501852181.db2.gz REIJJJXTEHQJMI-GFCCVEGCSA-N -1 3 357.360 3.321 20 0 FGADHM CCC[C@H]([N-]S(=O)(=O)c1ccc(C(=O)OC)o1)c1ccc(F)cc1F ZINC000467756948 501862328 /nfs/dbraw/zinc/86/23/28/501862328.db2.gz IZOHXVAQKCYKRM-ZDUSSCGKSA-N -1 3 373.377 3.164 20 0 FGADHM COC(=O)c1cc(F)cc([N-]C(=O)c2sc3nccn3c2C)c1F ZINC000478055868 501867504 /nfs/dbraw/zinc/86/75/04/501867504.db2.gz CKFNRCMQPAOUIV-UHFFFAOYSA-N -1 3 351.334 3.021 20 0 FGADHM O=S(=O)([N-]Cc1ccc[nH]1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000467782622 501871235 /nfs/dbraw/zinc/87/12/35/501871235.db2.gz GMYFONCNGYYVMD-UHFFFAOYSA-N -1 3 353.856 3.270 20 0 FGADHM Cc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)cc1OC(C)C ZINC000485596418 501872884 /nfs/dbraw/zinc/87/28/84/501872884.db2.gz AYFLULJQISIXQJ-UHFFFAOYSA-N -1 3 353.378 3.310 20 0 FGADHM COC(=O)c1cc(F)cc([N-]C(=O)c2oc(CC(C)C)nc2C)c1F ZINC000478088260 501878034 /nfs/dbraw/zinc/87/80/34/501878034.db2.gz SUKACBQQWAMJDN-UHFFFAOYSA-N -1 3 352.337 3.499 20 0 FGADHM C[C@@H](c1ccccc1)[C@@](C)(O)C(=O)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1 ZINC000467805831 501879819 /nfs/dbraw/zinc/87/98/19/501879819.db2.gz FYVZYSDKEWMIQN-FKIZINRSSA-N -1 3 371.387 3.270 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-][C@H](C)[C@@H](c2ccccc2)N(C)C)c(F)c1 ZINC000474583081 501884502 /nfs/dbraw/zinc/88/45/02/501884502.db2.gz GZAOOAVAVIEUGD-KDOFPFPSSA-N -1 3 350.459 3.104 20 0 FGADHM CCCCc1nc(C(=O)OCC)c(NC(=O)[C@H](C)Oc2ccccc2)[n-]1 ZINC000485663073 501892557 /nfs/dbraw/zinc/89/25/57/501892557.db2.gz AKMQSHLLXSGTJM-ZDUSSCGKSA-N -1 3 359.426 3.335 20 0 FGADHM CCCCc1nc(NC(=O)[C@H](C)Oc2ccccc2)c(C(=O)OCC)[n-]1 ZINC000485663073 501892560 /nfs/dbraw/zinc/89/25/60/501892560.db2.gz AKMQSHLLXSGTJM-ZDUSSCGKSA-N -1 3 359.426 3.335 20 0 FGADHM CCCCc1nc(C(=O)OCC)c(NC(=O)COc2ccc(C)cc2)[n-]1 ZINC000485673426 501896336 /nfs/dbraw/zinc/89/63/36/501896336.db2.gz NEHGQOQZGSYLQC-UHFFFAOYSA-N -1 3 359.426 3.255 20 0 FGADHM CCCCc1nc(NC(=O)COc2ccc(C)cc2)c(C(=O)OCC)[n-]1 ZINC000485673426 501896339 /nfs/dbraw/zinc/89/63/39/501896339.db2.gz NEHGQOQZGSYLQC-UHFFFAOYSA-N -1 3 359.426 3.255 20 0 FGADHM CSc1cccc([C@H](NC(=O)c2c[n-]nn2)c2ccc(F)c(F)c2)c1 ZINC000464130171 501903968 /nfs/dbraw/zinc/90/39/68/501903968.db2.gz FUNPTZUSNILLLC-INIZCTEOSA-N -1 3 360.389 3.324 20 0 FGADHM CSc1cccc([C@H](NC(=O)c2cnn[n-]2)c2ccc(F)c(F)c2)c1 ZINC000464130171 501903976 /nfs/dbraw/zinc/90/39/76/501903976.db2.gz FUNPTZUSNILLLC-INIZCTEOSA-N -1 3 360.389 3.324 20 0 FGADHM CSc1cccc([C@H](NC(=O)c2cn[n-]n2)c2ccc(F)c(F)c2)c1 ZINC000464130171 501903979 /nfs/dbraw/zinc/90/39/79/501903979.db2.gz FUNPTZUSNILLLC-INIZCTEOSA-N -1 3 360.389 3.324 20 0 FGADHM CCCCc1nc(C(=O)OCC)c(NC(=O)c2ccnc(C3CC3)c2)[n-]1 ZINC000485696673 501903999 /nfs/dbraw/zinc/90/39/99/501903999.db2.gz RAFVXGOBJPKAEZ-UHFFFAOYSA-N -1 3 356.426 3.454 20 0 FGADHM CCCCc1nc(NC(=O)c2ccnc(C3CC3)c2)c(C(=O)OCC)[n-]1 ZINC000485696673 501904004 /nfs/dbraw/zinc/90/40/04/501904004.db2.gz RAFVXGOBJPKAEZ-UHFFFAOYSA-N -1 3 356.426 3.454 20 0 FGADHM CCCCc1nc(C(=O)OCC)c(NC(=O)c2cccc(N(C)C)c2)[n-]1 ZINC000485696737 501904581 /nfs/dbraw/zinc/90/45/81/501904581.db2.gz RQARJQXZGXEPLL-UHFFFAOYSA-N -1 3 358.442 3.247 20 0 FGADHM CCCCc1nc(NC(=O)c2cccc(N(C)C)c2)c(C(=O)OCC)[n-]1 ZINC000485696737 501904585 /nfs/dbraw/zinc/90/45/85/501904585.db2.gz RQARJQXZGXEPLL-UHFFFAOYSA-N -1 3 358.442 3.247 20 0 FGADHM CCOc1ccc(C(=O)Nc2nnc(-c3c(F)cccc3F)[n-]2)cc1OC ZINC000478311832 501938919 /nfs/dbraw/zinc/93/89/19/501938919.db2.gz IQEKEZHLSBGQGL-UHFFFAOYSA-N -1 3 374.347 3.410 20 0 FGADHM CCOc1ccc(C(=O)Nc2nc(-c3c(F)cccc3F)n[n-]2)cc1OC ZINC000478311832 501938925 /nfs/dbraw/zinc/93/89/25/501938925.db2.gz IQEKEZHLSBGQGL-UHFFFAOYSA-N -1 3 374.347 3.410 20 0 FGADHM CCOc1ccc(C(=O)Nc2n[n-]c(-c3c(F)cccc3F)n2)cc1OC ZINC000478311832 501938931 /nfs/dbraw/zinc/93/89/31/501938931.db2.gz IQEKEZHLSBGQGL-UHFFFAOYSA-N -1 3 374.347 3.410 20 0 FGADHM CCc1nn(C)c(CC)c1CC(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000478343950 501949810 /nfs/dbraw/zinc/94/98/10/501949810.db2.gz PDZXKJMXWJOUQG-UHFFFAOYSA-N -1 3 355.360 3.451 20 0 FGADHM CCOc1nc2cc(C(=O)N[C@H](c3nc(C4CC4)no3)C(C)C)ccc2[n-]1 ZINC000468091426 501952548 /nfs/dbraw/zinc/95/25/48/501952548.db2.gz HLHSJNRDGJKOSN-HNNXBMFYSA-N -1 3 369.425 3.349 20 0 FGADHM CCOc1nc2ccc(C(=O)N[C@H](c3nc(C4CC4)no3)C(C)C)cc2[n-]1 ZINC000468091426 501952554 /nfs/dbraw/zinc/95/25/54/501952554.db2.gz HLHSJNRDGJKOSN-HNNXBMFYSA-N -1 3 369.425 3.349 20 0 FGADHM CCc1ncc(S(=O)(=O)[N-][C@H](c2ccccc2)c2ccccn2)s1 ZINC000460913961 501957804 /nfs/dbraw/zinc/95/78/04/501957804.db2.gz QSLJRXBTQLPLSR-QGZVFWFLSA-N -1 3 359.476 3.168 20 0 FGADHM Cc1cccc2c(CC[N-]S(=O)(=O)c3ccc(F)cc3F)c[nH]c21 ZINC000485882229 501973647 /nfs/dbraw/zinc/97/36/47/501973647.db2.gz PPTHAGBVVHGUIY-UHFFFAOYSA-N -1 3 350.390 3.276 20 0 FGADHM C[C@@H]1CCC[C@@H](NC(=O)N=c2cc3ccc(Br)cn3[n-]2)C1 ZINC000482103340 501976200 /nfs/dbraw/zinc/97/62/00/501976200.db2.gz MPFFSJDKGOBTCD-ZYHUDNBSSA-N -1 3 351.248 3.219 20 0 FGADHM C[C@@H](CNC(=O)N=c1cc2ccc(Br)cn2[n-]1)c1ccccc1 ZINC000482169633 501996957 /nfs/dbraw/zinc/99/69/57/501996957.db2.gz NESLGPFBKWEDHZ-LBPRGKRZSA-N -1 3 373.254 3.444 20 0 FGADHM O=C(CNC(=O)c1cccc([O-])c1)Nc1ccc(OC2CCCC2)c(F)c1 ZINC000471374197 502002115 /nfs/dbraw/zinc/00/21/15/502002115.db2.gz YTUHCCPUMNKAON-UHFFFAOYSA-N -1 3 372.396 3.221 20 0 FGADHM Cc1cccc(-c2ccc(CNC(=O)CNC(=O)c3cccc([O-])c3)cc2)c1 ZINC000471385720 502006880 /nfs/dbraw/zinc/00/68/80/502006880.db2.gz UZGJSAUPUWLQMS-UHFFFAOYSA-N -1 3 374.440 3.414 20 0 FGADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)C1(c2ccc(F)cc2)CCCC1 ZINC000482217708 502010655 /nfs/dbraw/zinc/01/06/55/502010655.db2.gz SYXJZWQUCYBUNZ-UHFFFAOYSA-N -1 3 356.323 3.091 20 0 FGADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)C1(c2ccc(F)cc2)CCCC1 ZINC000482217708 502010661 /nfs/dbraw/zinc/01/06/61/502010661.db2.gz SYXJZWQUCYBUNZ-UHFFFAOYSA-N -1 3 356.323 3.091 20 0 FGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)C1(c2ccc(F)cc2)CCCC1 ZINC000482217708 502010666 /nfs/dbraw/zinc/01/06/66/502010666.db2.gz SYXJZWQUCYBUNZ-UHFFFAOYSA-N -1 3 356.323 3.091 20 0 FGADHM C[C@H](NC(=O)CNC(=O)c1cccc([O-])c1)c1cccc(C(F)(F)F)c1 ZINC000471405760 502015059 /nfs/dbraw/zinc/01/50/59/502015059.db2.gz NWDPOXOLFXYDQR-NSHDSACASA-N -1 3 366.339 3.018 20 0 FGADHM C[C@@H](NC(=O)CNC(=O)c1cccc([O-])c1)c1cccc(C(F)(F)F)c1 ZINC000471405759 502015212 /nfs/dbraw/zinc/01/52/12/502015212.db2.gz NWDPOXOLFXYDQR-LLVKDONJSA-N -1 3 366.339 3.018 20 0 FGADHM CCc1cc(=O)[n-]c(CN(CCc2ccc(C)cc2)C[C@@H]2CCCO2)n1 ZINC000468283647 502015687 /nfs/dbraw/zinc/01/56/87/502015687.db2.gz ZVAVOSGZQCGVMY-IBGZPJMESA-N -1 3 355.482 3.277 20 0 FGADHM CCN(CC)[C@H](CNC(=O)c1csc(=O)[n-]1)c1ccccc1Cl ZINC000471413430 502018532 /nfs/dbraw/zinc/01/85/32/502018532.db2.gz YGZILVZFRPMWJH-CQSZACIVSA-N -1 3 353.875 3.315 20 0 FGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1C[C@H](OC(C)C)C1(C)C ZINC000486071223 502036828 /nfs/dbraw/zinc/03/68/28/502036828.db2.gz RGCJETHMJVWZLM-CABCVRRESA-N -1 3 361.891 3.219 20 0 FGADHM COC(=O)c1ccc(OCc2ccccc2)c([N-]C(=O)c2cnns2)c1 ZINC000478628587 502037413 /nfs/dbraw/zinc/03/74/13/502037413.db2.gz IMPCSUDYCWBVGK-UHFFFAOYSA-N -1 3 369.402 3.156 20 0 FGADHM Cc1nc(C)c(CCC(=O)N2CCc3c(F)cc(F)cc3[C@H]2C)c(=O)[n-]1 ZINC000468366173 502037927 /nfs/dbraw/zinc/03/79/27/502037927.db2.gz AAFVERLXDDWBOV-LLVKDONJSA-N -1 3 361.392 3.156 20 0 FGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)[C@@H]1COc2ccccc21 ZINC000486077830 502038922 /nfs/dbraw/zinc/03/89/22/502038922.db2.gz NAKPYQUMENAXPI-RISCZKNCSA-N -1 3 367.854 3.192 20 0 FGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1[C@@H]2CCc3ccccc3[C@@H]21 ZINC000486078687 502039060 /nfs/dbraw/zinc/03/90/60/502039060.db2.gz HFMFVNNKDHWJIO-FHLIZLRMSA-N -1 3 363.866 3.355 20 0 FGADHM C[C@@]1(c2ccc(F)cc2)[N-]C(=O)N(Cc2c(F)cc(F)c(F)c2F)C1=O ZINC000461216643 502042291 /nfs/dbraw/zinc/04/22/91/502042291.db2.gz ZAECKOQORUUMGH-KRWDZBQOSA-N -1 3 370.277 3.349 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OC)c1c(C)noc1C ZINC000486088405 502043442 /nfs/dbraw/zinc/04/34/42/502043442.db2.gz IGOLLOASNCYCLV-LBPRGKRZSA-N -1 3 358.847 3.383 20 0 FGADHM Cn1[n-]c(-c2ccccc2Cl)nc1=NC(=O)c1ccnc(C2CC2)c1 ZINC000461233158 502047459 /nfs/dbraw/zinc/04/74/59/502047459.db2.gz GFAHPNVZNJQRCX-UHFFFAOYSA-N -1 3 353.813 3.082 20 0 FGADHM Cc1ccc(C)c(CC(=O)N=c2nc(-c3ccccc3Cl)[n-]n2C)c1 ZINC000461238210 502048349 /nfs/dbraw/zinc/04/83/49/502048349.db2.gz KOLNVFTWKZRHFB-UHFFFAOYSA-N -1 3 354.841 3.355 20 0 FGADHM CCN=c1[n-]c(C(=O)NCc2ccc(Oc3ccc(F)cc3)nc2)cs1 ZINC000478738594 502072555 /nfs/dbraw/zinc/07/25/55/502072555.db2.gz JEQNGLPPGIULQQ-UHFFFAOYSA-N -1 3 372.425 3.253 20 0 FGADHM O=C([N-]c1cc2c(cc1F)CCC(=O)N2)c1cc(-c2ccccn2)no1 ZINC000468493374 502079573 /nfs/dbraw/zinc/07/95/73/502079573.db2.gz VQCAUPYLYDSVLB-UHFFFAOYSA-N -1 3 352.325 3.013 20 0 FGADHM C[C@H](CNC(=O)c1cc(=O)c2ccccc2[n-]1)Oc1ccccc1Cl ZINC000461357422 502080947 /nfs/dbraw/zinc/08/09/47/502080947.db2.gz ASCSAHWWWIOLTP-GFCCVEGCSA-N -1 3 356.809 3.379 20 0 FGADHM CC(=O)Nc1nc2ccc(NC(=O)c3cc(-c4ccco4)[n-]n3)cc2s1 ZINC000486241515 502095527 /nfs/dbraw/zinc/09/55/27/502095527.db2.gz BXWYNLLPXWYBSP-UHFFFAOYSA-N -1 3 367.390 3.490 20 0 FGADHM CC(=O)Nc1nc2ccc(NC(=O)c3cc(-c4ccco4)n[n-]3)cc2s1 ZINC000486241515 502095533 /nfs/dbraw/zinc/09/55/33/502095533.db2.gz BXWYNLLPXWYBSP-UHFFFAOYSA-N -1 3 367.390 3.490 20 0 FGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CCc2c1cccc2O ZINC000486250170 502099816 /nfs/dbraw/zinc/09/98/16/502099816.db2.gz AKDLLDQHRVHGQA-ZDUSSCGKSA-N -1 3 353.827 3.020 20 0 FGADHM CCc1nc([C@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2OC)cs1 ZINC000486260888 502102701 /nfs/dbraw/zinc/10/27/01/502102701.db2.gz SOMIHCOZVIBYDE-VIFPVBQESA-N -1 3 360.888 3.407 20 0 FGADHM CCc1cc(C(=O)N[C@@H]2CCN(c3ccccc3Cl)C2=O)ccc1[O-] ZINC000486284905 502111516 /nfs/dbraw/zinc/11/15/16/502111516.db2.gz PNFVHBGCSXKQPF-OAHLLOKOSA-N -1 3 358.825 3.143 20 0 FGADHM Cc1ccc(NC(=O)c2cnn[n-]2)cc1Oc1ncccc1Br ZINC000468599330 502119881 /nfs/dbraw/zinc/11/98/81/502119881.db2.gz QQSZCSAYQGXUCP-UHFFFAOYSA-N -1 3 374.198 3.315 20 0 FGADHM Cc1ccc(NC(=O)c2c[n-]nn2)cc1Oc1ncccc1Br ZINC000468599330 502119886 /nfs/dbraw/zinc/11/98/86/502119886.db2.gz QQSZCSAYQGXUCP-UHFFFAOYSA-N -1 3 374.198 3.315 20 0 FGADHM Cc1ccc(NC(=O)c2cn[n-]n2)cc1Oc1ncccc1Br ZINC000468599330 502119890 /nfs/dbraw/zinc/11/98/90/502119890.db2.gz QQSZCSAYQGXUCP-UHFFFAOYSA-N -1 3 374.198 3.315 20 0 FGADHM O=C(CCCc1ccc([O-])c(F)c1)NCc1ccc(-n2ccnc2)c(F)c1 ZINC000468613465 502125364 /nfs/dbraw/zinc/12/53/64/502125364.db2.gz SKVUWYGFUGVMQU-UHFFFAOYSA-N -1 3 371.387 3.495 20 0 FGADHM CCC[C@H](C)N(C)C(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000471748873 502126625 /nfs/dbraw/zinc/12/66/25/502126625.db2.gz JHSJXHIUZISOIQ-JTQLQIEISA-N -1 3 366.405 3.338 20 0 FGADHM C[N-]S(=O)(=O)c1cc(NC(=O)N[C@@H]2CCCC[C@@H]2C(C)C)ccc1F ZINC000486342653 502127392 /nfs/dbraw/zinc/12/73/92/502127392.db2.gz HQBLEPJXRVIXQN-UKRRQHHQSA-N -1 3 371.478 3.070 20 0 FGADHM C[N-]S(=O)(=O)c1cc(NC(=O)N(C)CCC2CCCCC2)ccc1F ZINC000486433642 502152898 /nfs/dbraw/zinc/15/28/98/502152898.db2.gz MCFQKDQSCVKLAL-UHFFFAOYSA-N -1 3 371.478 3.168 20 0 FGADHM CC[C@@H](CC(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C)c1ccc(C)cc1 ZINC000461613651 502153956 /nfs/dbraw/zinc/15/39/56/502153956.db2.gz MQOINIRTALPUAI-AWEZNQCLSA-N -1 3 367.449 3.413 20 0 FGADHM C[C@H]1C[C@@H](CC(=O)Nc2cc3c(cc2[O-])n(C)c(=O)n3C)CC(C)(C)C1 ZINC000461623106 502155554 /nfs/dbraw/zinc/15/55/54/502155554.db2.gz HONOMYFKAGOWIM-STQMWFEESA-N -1 3 359.470 3.374 20 0 FGADHM C[N-]S(=O)(=O)c1cc(NC(=O)N[C@H]2CCC[C@H](C(C)C)C2)ccc1F ZINC000486442302 502155762 /nfs/dbraw/zinc/15/57/62/502155762.db2.gz ACCCMWNPCGMLNY-STQMWFEESA-N -1 3 371.478 3.070 20 0 FGADHM Cc1cccc(CS(=O)(=O)[N-][C@@H](CC(C)C)C(=O)OC(C)(C)C)c1 ZINC000471884718 502163756 /nfs/dbraw/zinc/16/37/56/502163756.db2.gz OCQBJAUACXVRGU-INIZCTEOSA-N -1 3 355.500 3.171 20 0 FGADHM Cc1ccc(C[C@@H](NC(=O)NCc2ncccc2[O-])c2ccccn2)cc1 ZINC000471886359 502164357 /nfs/dbraw/zinc/16/43/57/502164357.db2.gz GDEUHRXYPYPPNP-GOSISDBHSA-N -1 3 362.433 3.274 20 0 FGADHM C[C@@H](NC(=O)NCc1nc(C(F)(F)F)n[n-]1)c1ccc(Cl)s1 ZINC000482744271 502168348 /nfs/dbraw/zinc/16/83/48/502168348.db2.gz XMEXYOQZYITMOC-RXMQYKEDSA-N -1 3 353.757 3.099 20 0 FGADHM C[C@@H](NC(=O)NCc1nnc(C(F)(F)F)[n-]1)c1ccc(Cl)s1 ZINC000482744271 502168339 /nfs/dbraw/zinc/16/83/39/502168339.db2.gz XMEXYOQZYITMOC-RXMQYKEDSA-N -1 3 353.757 3.099 20 0 FGADHM C[C@@H](NC(=O)NCc1n[n-]c(C(F)(F)F)n1)c1ccc(Cl)s1 ZINC000482744271 502168343 /nfs/dbraw/zinc/16/83/43/502168343.db2.gz XMEXYOQZYITMOC-RXMQYKEDSA-N -1 3 353.757 3.099 20 0 FGADHM COc1c(C)cc(S(=O)(=O)[N-][C@](C)(C2CC2)C(F)(F)F)cc1C ZINC000479127372 502170783 /nfs/dbraw/zinc/17/07/83/502170783.db2.gz HIMCVXYDDQNSKZ-CQSZACIVSA-N -1 3 351.390 3.321 20 0 FGADHM O=S(=O)([N-]c1c(F)cc(Cl)cc1Cl)c1cn2c(n1)CCCC2 ZINC000479150724 502176936 /nfs/dbraw/zinc/17/69/36/502176936.db2.gz BLCIYNGMYGANHG-UHFFFAOYSA-N -1 3 364.229 3.466 20 0 FGADHM COCCOc1ccc(F)cc1S(=O)(=O)[N-][C@H]1CCCC(C)(C)C1 ZINC000468771184 502177180 /nfs/dbraw/zinc/17/71/80/502177180.db2.gz BBYHHKMWXFQSTF-AWEZNQCLSA-N -1 3 359.463 3.098 20 0 FGADHM COc1cc(C(=O)NCCCOc2ccc(C(F)(F)F)cn2)ccc1[O-] ZINC000482799687 502183535 /nfs/dbraw/zinc/18/35/35/502183535.db2.gz PFDAJFLKBHKERK-UHFFFAOYSA-N -1 3 370.327 3.014 20 0 FGADHM O=C(N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1)[C@H]1C[C@]12CCOC2 ZINC000461749945 502190450 /nfs/dbraw/zinc/19/04/50/502190450.db2.gz AYZODDBQLDAPTD-WBMJQRKESA-N -1 3 352.221 3.171 20 0 FGADHM CC1(C)CN(C(=O)CCCc2ccc([O-])c(F)c2)C[C@@]2(CCCOC2)O1 ZINC000482838899 502193594 /nfs/dbraw/zinc/19/35/94/502193594.db2.gz ULHDIPPBOJKXTJ-HXUWFJFHSA-N -1 3 365.445 3.041 20 0 FGADHM O=C(CCCc1ccc([O-])c(F)c1)NCc1ccc2c(c1)OCCCO2 ZINC000468837035 502201179 /nfs/dbraw/zinc/20/11/79/502201179.db2.gz FFOPURHCAHCXDJ-UHFFFAOYSA-N -1 3 359.397 3.332 20 0 FGADHM CCc1cc(C(=O)N2CC(Cc3cc(OC)cc(OC)c3)C2)ccc1[O-] ZINC000486606688 502205907 /nfs/dbraw/zinc/20/59/07/502205907.db2.gz RKQHIOUBXUTSTE-UHFFFAOYSA-N -1 3 355.434 3.287 20 0 FGADHM Cc1cccc(F)c1S(=O)(=O)[N-]Cc1cccnc1OC1CCCC1 ZINC000475542281 502208392 /nfs/dbraw/zinc/20/83/92/502208392.db2.gz KMOIJDABLWKSHM-UHFFFAOYSA-N -1 3 364.442 3.329 20 0 FGADHM Cc1cccc(F)c1S(=O)(=O)[N-]Cc1ccc(Br)s1 ZINC000475540652 502208591 /nfs/dbraw/zinc/20/85/91/502208591.db2.gz KDUSOZIJYSNGDO-UHFFFAOYSA-N -1 3 364.261 3.437 20 0 FGADHM COc1ccc(Cl)c([N-]S(=O)(=O)c2cc3c(cc2C)OCO3)c1 ZINC000479293532 502216558 /nfs/dbraw/zinc/21/65/58/502216558.db2.gz GRNHMUISSLMIDK-UHFFFAOYSA-N -1 3 355.799 3.187 20 0 FGADHM CC[C@@H](NC(=O)Cc1c(C)nc(C)[n-]c1=O)c1nc(C(F)(F)F)cs1 ZINC000465260026 502229051 /nfs/dbraw/zinc/22/90/51/502229051.db2.gz VPKFBAWBSXECTI-SNVBAGLBSA-N -1 3 374.388 3.084 20 0 FGADHM C[C@H]1CCN(C(=O)c2csc(-c3cnn(C)c3)n2)c2c([O-])cccc21 ZINC000468928568 502233842 /nfs/dbraw/zinc/23/38/42/502233842.db2.gz IQAZFTPCMLBZCC-NSHDSACASA-N -1 3 354.435 3.403 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)c1c(F)cc(OC)cc1F)c1ccc(OC)cc1 ZINC000588672214 506301720 /nfs/dbraw/zinc/30/17/20/506301720.db2.gz LAAWFLYXDDWXRC-INIZCTEOSA-N -1 3 371.405 3.412 20 0 FGADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)N[C@H](c1ccccc1)C1CCC1 ZINC000483002458 502241435 /nfs/dbraw/zinc/24/14/35/502241435.db2.gz WGYNSQBOJDEOQX-CYBMUJFWSA-N -1 3 353.348 3.164 20 0 FGADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)N[C@H](c1ccccc1)C1CCC1 ZINC000483002458 502241440 /nfs/dbraw/zinc/24/14/40/502241440.db2.gz WGYNSQBOJDEOQX-CYBMUJFWSA-N -1 3 353.348 3.164 20 0 FGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N[C@H](c1ccccc1)C1CCC1 ZINC000483002458 502241443 /nfs/dbraw/zinc/24/14/43/502241443.db2.gz WGYNSQBOJDEOQX-CYBMUJFWSA-N -1 3 353.348 3.164 20 0 FGADHM C[C@@H]1Cc2ccccc2N1CCNC(=O)CCCc1ccc([O-])c(F)c1 ZINC000468975267 502249042 /nfs/dbraw/zinc/24/90/42/502249042.db2.gz KVTQVBBYAPLCOK-OAHLLOKOSA-N -1 3 356.441 3.421 20 0 FGADHM O=C1[C@H](NCc2cc([O-])cc(F)c2)CCN1c1ccccc1C(F)(F)F ZINC000479414094 502251504 /nfs/dbraw/zinc/25/15/04/502251504.db2.gz FGFNUSPJIMRIBP-OAHLLOKOSA-N -1 3 368.330 3.445 20 0 FGADHM C[C@H](CNC(=O)NCc1ncccc1[O-])c1ccc(C(F)(F)F)cc1 ZINC000472184081 502261409 /nfs/dbraw/zinc/26/14/09/502261409.db2.gz XYCHWDDOZQJRBQ-LLVKDONJSA-N -1 3 353.344 3.409 20 0 FGADHM Cc1cc(C)c2[n-]cc(C(=O)Nc3cnn(Cc4ccncc4)c3)c(=O)c2c1 ZINC000483123723 502281495 /nfs/dbraw/zinc/28/14/95/502281495.db2.gz VBMVGKLTNZBALU-UHFFFAOYSA-N -1 3 373.416 3.037 20 0 FGADHM Cc1cc(F)c(S(=O)(=O)[N-]C[C@H](c2cccnc2)C(C)C)cc1F ZINC000475757073 502282536 /nfs/dbraw/zinc/28/25/36/502282536.db2.gz JLVWFENSECDGID-AWEZNQCLSA-N -1 3 354.422 3.386 20 0 FGADHM COc1ccc(CCNC(=O)NCc2ccc([O-])c(F)c2)c(Cl)c1 ZINC000472267860 502291071 /nfs/dbraw/zinc/29/10/71/502291071.db2.gz CJXFLAKICDHYCO-UHFFFAOYSA-N -1 3 352.793 3.235 20 0 FGADHM COCCN(Cc1ccc(C)o1)C(=O)c1c[n-]c2c(C)cc(C)cc2c1=O ZINC000483147121 502291458 /nfs/dbraw/zinc/29/14/58/502291458.db2.gz BCBCXVZEFKTDLU-UHFFFAOYSA-N -1 3 368.433 3.335 20 0 FGADHM O=S(=O)([N-][C@@H]1COc2ccc(F)cc21)c1ccc(C(F)(F)F)s1 ZINC000462067020 502292762 /nfs/dbraw/zinc/29/27/62/502292762.db2.gz JVZGJLSPYYPWMW-SECBINFHSA-N -1 3 367.345 3.318 20 0 FGADHM CC(C)OC(=O)CC[C@H](C)[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000462075020 502296145 /nfs/dbraw/zinc/29/61/45/502296145.db2.gz PLMGUYZBUHLCFR-VIFPVBQESA-N -1 3 373.418 3.166 20 0 FGADHM CC(C)[C@@H]1OCCC[C@@H]1C[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000462096105 502304758 /nfs/dbraw/zinc/30/47/58/502304758.db2.gz HIPDYBRLMYUADP-MFKMUULPSA-N -1 3 371.446 3.496 20 0 FGADHM C[C@H](Cc1ccncc1)[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000462111556 502311084 /nfs/dbraw/zinc/31/10/84/502311084.db2.gz LLXPJRGHGRZYGV-SECBINFHSA-N -1 3 350.387 3.071 20 0 FGADHM COCCC1(C[N-]S(=O)(=O)c2oc3ccc(F)cc3c2C)CCC1 ZINC000472319425 502313322 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CCOc1nc2ccc(C(=O)NC[C@@H](C[C@H](C)O)c3ccccc3)cc2[n-]1 ZINC000469744669 502529400 /nfs/dbraw/zinc/52/94/00/502529400.db2.gz LUWMLRHXWAQYEU-WMLDXEAASA-N -1 3 367.449 3.246 20 0 FGADHM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]Cc2ccc(C(F)F)cc2)c1 ZINC000462675201 502530548 /nfs/dbraw/zinc/53/05/48/502530548.db2.gz KZJFKACGWVSBQA-UHFFFAOYSA-N -1 3 373.352 3.028 20 0 FGADHM Cc1ccc(CC[C@H](C)[N-]S(=O)(=O)c2cncc(Br)c2)o1 ZINC000462709624 502542809 /nfs/dbraw/zinc/54/28/09/502542809.db2.gz ZBLJPYOZZFTENO-JTQLQIEISA-N -1 3 373.272 3.045 20 0 FGADHM CCOC[C@@H](NC(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1)C(C)C ZINC000476619273 502543042 /nfs/dbraw/zinc/54/30/42/502543042.db2.gz TUVCDRNAHVTJSG-LJQANCHMSA-N -1 3 355.434 3.414 20 0 FGADHM Cc1nc(S(=O)(=O)[N-][C@H](c2ccc(Cl)cc2)[C@H]2C[C@H]2C)cn1C ZINC000462721919 502549805 /nfs/dbraw/zinc/54/98/05/502549805.db2.gz NXCVVPBWDIKYAD-FUEDEBDSSA-N -1 3 353.875 3.058 20 0 FGADHM O=C(NCc1ncccc1[O-])Nc1ccc(Cl)cc1C(=O)c1ccc[nH]1 ZINC000469902086 502591025 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/nfs/dbraw/zinc/66/32/44/502663244.db2.gz YFUHLOYNWPGLDN-UHFFFAOYSA-N -1 3 352.394 3.065 20 0 FGADHM CCc1c(NC(=O)NCc2ncccc2[O-])cnn1-c1ccccc1C ZINC000470132660 502672695 /nfs/dbraw/zinc/67/26/95/502672695.db2.gz KIOJENSPSMSSER-UHFFFAOYSA-N -1 3 351.410 3.165 20 0 FGADHM Cc1nc(C)c(CC(=O)N[C@H]2c3ccccc3CC[C@H]2C(C)C)c(=O)[n-]1 ZINC000463047334 502674667 /nfs/dbraw/zinc/67/46/67/502674667.db2.gz GLQXZQUDOGYXPP-OXJNMPFZSA-N -1 3 353.466 3.417 20 0 FGADHM C[C@H]1CN(C2CC2)C[C@H]1[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000480843033 502685818 /nfs/dbraw/zinc/68/58/18/502685818.db2.gz VNAFWMSYRKFRHK-IINYFYTJSA-N -1 3 370.927 3.316 20 0 FGADHM CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2ccc(C)cc2F)c1 ZINC000484624139 502687438 /nfs/dbraw/zinc/68/74/38/502687438.db2.gz WAIUNNIMHKSKLY-UHFFFAOYSA-N -1 3 355.362 3.251 20 0 FGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@H]1CN(C2CC2)C[C@@H]1C ZINC000480875184 502696210 /nfs/dbraw/zinc/69/62/10/502696210.db2.gz MBFFHIXKSDKZSG-BONVTDFDSA-N -1 3 368.886 3.156 20 0 FGADHM COc1cc(Cl)c(S(=O)(=O)[N-]Cc2ccc(F)cn2)cc1Cl ZINC000477171270 502698486 /nfs/dbraw/zinc/69/84/86/502698486.db2.gz XEFOFJPULFLNCO-UHFFFAOYSA-N -1 3 365.213 3.015 20 0 FGADHM O=C(COc1cc(Cl)cc(Cl)c1)Nc1nnc(-c2ccccn2)[n-]1 ZINC000463193284 502716023 /nfs/dbraw/zinc/71/60/23/502716023.db2.gz RFWAEIRSJMKUKH-UHFFFAOYSA-N -1 3 364.192 3.191 20 0 FGADHM O=C(COc1cc(Cl)cc(Cl)c1)Nc1nc(-c2ccccn2)n[n-]1 ZINC000463193284 502716029 /nfs/dbraw/zinc/71/60/29/502716029.db2.gz RFWAEIRSJMKUKH-UHFFFAOYSA-N -1 3 364.192 3.191 20 0 FGADHM O=C(COc1cc(Cl)cc(Cl)c1)Nc1n[n-]c(-c2ccccn2)n1 ZINC000463193284 502716035 /nfs/dbraw/zinc/71/60/35/502716035.db2.gz RFWAEIRSJMKUKH-UHFFFAOYSA-N -1 3 364.192 3.191 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]CCc2ccc(F)cc2Cl)c(F)c1 ZINC000481009719 502727205 /nfs/dbraw/zinc/72/72/05/502727205.db2.gz GLOAMEBCMDPXMT-UHFFFAOYSA-N -1 3 361.797 3.148 20 0 FGADHM CCC1(C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)CCOCC1 ZINC000466924688 502729080 /nfs/dbraw/zinc/72/90/80/502729080.db2.gz 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CO[C@@]1(C)C[C@H](NC(=O)Cc2ccc(Br)cc2[O-])C1(C)C ZINC000477351624 502750491 /nfs/dbraw/zinc/75/04/91/502750491.db2.gz POSWPPQYTXEFDL-BBRMVZONSA-N -1 3 356.260 3.017 20 0 FGADHM COc1ncc(C)cc1NC(=O)Cc1ccc(Br)cc1[O-] ZINC000477371633 502756758 /nfs/dbraw/zinc/75/67/58/502756758.db2.gz HVWCBBCAABPNAY-UHFFFAOYSA-N -1 3 351.200 3.048 20 0 FGADHM CN(C)c1nc(C(=O)N2CCCCC[C@@H]2/C=C\c2ccccc2)cc(=O)[n-]1 ZINC000463338235 502764247 /nfs/dbraw/zinc/76/42/47/502764247.db2.gz XEZZHSLFNJGNDF-MUSGIIIZSA-N -1 3 366.465 3.346 20 0 FGADHM C[C@@H](Cc1ccc(O)cc1)NC(=O)Cc1ccc(Br)cc1[O-] ZINC000477420854 502770478 /nfs/dbraw/zinc/77/04/78/502770478.db2.gz QLVMFPWIOPBHQC-NSHDSACASA-N -1 3 364.239 3.150 20 0 FGADHM Cc1ccc([O-])c(CN[C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)n1 ZINC000473983741 502770858 /nfs/dbraw/zinc/77/08/58/502770858.db2.gz OCWCHYKWCUXYLH-ZDUSSCGKSA-N -1 3 366.248 3.298 20 0 FGADHM C[C@H]1Cc2ccccc2N1CC[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000488691461 502782502 /nfs/dbraw/zinc/78/25/02/502782502.db2.gz AATFRABMRHFROB-LBPRGKRZSA-N -1 3 368.861 3.209 20 0 FGADHM COC(=O)[C@H](CS(=O)(=O)[N-]c1ccc(C)cc1Cl)c1ccccc1 ZINC000477498414 502789975 /nfs/dbraw/zinc/78/99/75/502789975.db2.gz ICGONGFAMHEVNG-CQSZACIVSA-N -1 3 367.854 3.347 20 0 FGADHM CCCN(CC)[C@@H](C)c1nc(=O)c2c(C)c(C(=O)OCC)sc2[n-]1 ZINC000488722604 502790935 /nfs/dbraw/zinc/79/09/35/502790935.db2.gz GQNLGTXGTVFUJT-NSHDSACASA-N -1 3 351.472 3.263 20 0 FGADHM CCn1cnc(S(=O)(=O)[N-][C@H]2CCSc3ccc(Cl)cc32)c1 ZINC000474054359 502792441 /nfs/dbraw/zinc/79/24/41/502792441.db2.gz DOUBKHGJXAYRJL-LBPRGKRZSA-N -1 3 357.888 3.072 20 0 FGADHM COC(=O)[C@@H](CS(=O)(=O)[N-]c1ccc(Cl)cc1)c1ccccc1 ZINC000477510660 502793361 /nfs/dbraw/zinc/79/33/61/502793361.db2.gz YJQDCEXHBVCRAG-HNNXBMFYSA-N -1 3 353.827 3.039 20 0 FGADHM COc1ccc(Br)c(S(=O)(=O)[N-]CCCC(C)C)c1 ZINC000474073796 502798690 /nfs/dbraw/zinc/79/86/90/502798690.db2.gz PDKKZVMSBNLSIO-UHFFFAOYSA-N -1 3 350.278 3.172 20 0 FGADHM COc1ccc(Br)c(S(=O)(=O)[N-][C@H]2CC[C@H](C)CC2)c1 ZINC000474109515 502811729 /nfs/dbraw/zinc/81/17/29/502811729.db2.gz DMOAPOFCKQCPHI-XYPYZODXSA-N -1 3 362.289 3.315 20 0 FGADHM COC(=O)[C@](C)([N-]C(=O)c1c(F)c(F)cc(F)c1F)c1ccc(F)cc1 ZINC000485061578 502811871 /nfs/dbraw/zinc/81/18/71/502811871.db2.gz JUXOQRRXRRGTIZ-QGZVFWFLSA-N -1 3 373.277 3.200 20 0 FGADHM CN(CC(=O)Nc1nnc(-c2cc3ccccc3o2)[n-]1)Cc1ccccc1 ZINC000485104024 502815823 /nfs/dbraw/zinc/81/58/23/502815823.db2.gz JMQIZENKKJTCTN-UHFFFAOYSA-N -1 3 361.405 3.288 20 0 FGADHM CN(CC(=O)Nc1nc(-c2cc3ccccc3o2)n[n-]1)Cc1ccccc1 ZINC000485104024 502815824 /nfs/dbraw/zinc/81/58/24/502815824.db2.gz JMQIZENKKJTCTN-UHFFFAOYSA-N -1 3 361.405 3.288 20 0 FGADHM CN(CC(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1)Cc1ccccc1 ZINC000485104024 502815826 /nfs/dbraw/zinc/81/58/26/502815826.db2.gz JMQIZENKKJTCTN-UHFFFAOYSA-N -1 3 361.405 3.288 20 0 FGADHM Cc1c(C(=O)Nc2nnc(-c3cc4ccccc4o3)[n-]2)sc2nccn12 ZINC000485111683 502816137 /nfs/dbraw/zinc/81/61/37/502816137.db2.gz CIDBXGKVQWNNOI-UHFFFAOYSA-N -1 3 364.390 3.488 20 0 FGADHM Cc1c(C(=O)Nc2nc(-c3cc4ccccc4o3)n[n-]2)sc2nccn12 ZINC000485111683 502816139 /nfs/dbraw/zinc/81/61/39/502816139.db2.gz CIDBXGKVQWNNOI-UHFFFAOYSA-N -1 3 364.390 3.488 20 0 FGADHM Cc1c(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)sc2nccn12 ZINC000485111683 502816141 /nfs/dbraw/zinc/81/61/41/502816141.db2.gz CIDBXGKVQWNNOI-UHFFFAOYSA-N -1 3 364.390 3.488 20 0 FGADHM CSc1cccc(S(=O)(=O)[N-]c2cc3c(cc2F)CCC(=O)N3)c1 ZINC000509090631 502818662 /nfs/dbraw/zinc/81/86/62/502818662.db2.gz UTVNCXAFMXWVKX-UHFFFAOYSA-N -1 3 366.439 3.233 20 0 FGADHM O=S(=O)([N-]c1cc2c(cc1Cl)OCO2)c1cnc2ccccc2c1 ZINC000509099604 502820969 /nfs/dbraw/zinc/82/09/69/502820969.db2.gz OFBRDZOMSNSTCS-UHFFFAOYSA-N -1 3 362.794 3.418 20 0 FGADHM CCCN(CC(F)(F)F)C(=O)[C@H]1CCCN(C(=O)c2cccc([O-])c2)C1 ZINC000509115524 502824983 /nfs/dbraw/zinc/82/49/83/502824983.db2.gz YTZJHIPDNSUOCK-AWEZNQCLSA-N -1 3 372.387 3.045 20 0 FGADHM CC[C@@H](C)[C@H]1CCCCN1C(=O)C(=O)[N-]c1scc(C)c1C(=O)OC ZINC000500637425 502830613 /nfs/dbraw/zinc/83/06/13/502830613.db2.gz FMIBEEOPUMMRGP-DGCLKSJQSA-N -1 3 366.483 3.209 20 0 FGADHM O=S(=O)([N-]C[C@H]1CCN(c2ccccc2)C1)c1cc(F)ccc1Cl ZINC000488935200 502841365 /nfs/dbraw/zinc/84/13/65/502841365.db2.gz FFHRPVRKVBYSFD-CYBMUJFWSA-N -1 3 368.861 3.284 20 0 FGADHM Cc1ccc(F)c(C(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)c1F ZINC000500732590 502850142 /nfs/dbraw/zinc/85/01/42/502850142.db2.gz LOJNDPCCFJAXSQ-UHFFFAOYSA-N -1 3 374.387 3.470 20 0 FGADHM COCCCC[C@@H](NC(=O)c1cc(F)cc2nn[n-]c21)c1ccccc1 ZINC000505115324 502853327 /nfs/dbraw/zinc/85/33/27/502853327.db2.gz VOHFTHYJKJDPQP-MRXNPFEDSA-N -1 3 356.401 3.385 20 0 FGADHM COCCCC[C@@H](NC(=O)c1cc(F)cc2[n-]nnc21)c1ccccc1 ZINC000505115324 502853330 /nfs/dbraw/zinc/85/33/30/502853330.db2.gz VOHFTHYJKJDPQP-MRXNPFEDSA-N -1 3 356.401 3.385 20 0 FGADHM COCCCC[C@@H](NC(=O)c1cc(F)cc2n[n-]nc21)c1ccccc1 ZINC000505115324 502853335 /nfs/dbraw/zinc/85/33/35/502853335.db2.gz VOHFTHYJKJDPQP-MRXNPFEDSA-N -1 3 356.401 3.385 20 0 FGADHM O=S(=O)([N-]CCc1ccsc1)c1cc(F)ccc1Br ZINC000513110211 502853893 /nfs/dbraw/zinc/85/38/93/502853893.db2.gz LRKSOICOABWWGC-UHFFFAOYSA-N -1 3 364.261 3.171 20 0 FGADHM CCCCOCCC[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000488999461 502857178 /nfs/dbraw/zinc/85/71/78/502857178.db2.gz BBQFHASJCXHXTE-UHFFFAOYSA-N -1 3 357.369 3.330 20 0 FGADHM COCc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(CN(C)C)c2)cc1 ZINC000500779683 502862255 /nfs/dbraw/zinc/86/22/55/502862255.db2.gz MYGDNAXNLHOBJQ-UHFFFAOYSA-N -1 3 368.886 3.349 20 0 FGADHM CN(C(=O)c1cc(F)cc2[n-]nnc21)[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000489098122 502879143 /nfs/dbraw/zinc/87/91/43/502879143.db2.gz HSRLHEHQDCTKBF-IRXDYDNUSA-N -1 3 368.412 3.415 20 0 FGADHM CN(C(=O)c1cc(F)cc2nn[n-]c21)[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000489098122 502879146 /nfs/dbraw/zinc/87/91/46/502879146.db2.gz HSRLHEHQDCTKBF-IRXDYDNUSA-N -1 3 368.412 3.415 20 0 FGADHM CN(C(=O)c1cc(F)cc2n[n-]nc21)[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000489098122 502879151 /nfs/dbraw/zinc/87/91/51/502879151.db2.gz HSRLHEHQDCTKBF-IRXDYDNUSA-N -1 3 368.412 3.415 20 0 FGADHM CCOC(=O)CC(C)(C)CC(=O)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1 ZINC000500863088 502880382 /nfs/dbraw/zinc/88/03/82/502880382.db2.gz ILQPDBYRUHBASG-UHFFFAOYSA-N -1 3 365.380 3.085 20 0 FGADHM CSc1cccc(S(=O)(=O)[N-]c2cccc(F)c2-c2nc[nH]n2)c1 ZINC000509377043 502886970 /nfs/dbraw/zinc/88/69/70/502886970.db2.gz DYWALXOIYFGGRO-UHFFFAOYSA-N -1 3 364.427 3.134 20 0 FGADHM CC(C)(C)c1ccccc1S(=O)(=O)[N-]C1(C(F)(F)F)CCOCC1 ZINC000509422199 502897918 /nfs/dbraw/zinc/89/79/18/502897918.db2.gz JYPWRUNFKAXWQR-UHFFFAOYSA-N -1 3 365.417 3.374 20 0 FGADHM CC(C)[C@](C)(O)C[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000509434112 502902178 /nfs/dbraw/zinc/90/21/78/502902178.db2.gz CBNVXOJDXMVZKP-GFCCVEGCSA-N -1 3 359.797 3.044 20 0 FGADHM O=S(=O)([N-]C[C@H]1CCC[C@H](O)C1)c1cc(Cl)ccc1C(F)(F)F ZINC000509452317 502907098 /nfs/dbraw/zinc/90/70/98/502907098.db2.gz MYPRJEAQWFEZFG-ONGXEEELSA-N -1 3 371.808 3.188 20 0 FGADHM Cc1nc(-c2ccc(NC(=O)NCCc3ccc(O)cc3)cc2)cc(=O)[n-]1 ZINC000513339604 502908707 /nfs/dbraw/zinc/90/87/07/502908707.db2.gz UTKXCEQFNLIOLT-UHFFFAOYSA-N -1 3 364.405 3.227 20 0 FGADHM O=S(=O)(Cc1c(F)cccc1F)[N-][C@@H]1COc2ccc(Cl)cc21 ZINC000500997048 502909387 /nfs/dbraw/zinc/90/93/87/502909387.db2.gz JNALJDNLVHEAEI-CQSZACIVSA-N -1 3 359.781 3.171 20 0 FGADHM O=C(N[C@@H](CO)c1ccc(Br)cc1)c1cc([O-])ccc1Cl ZINC000497339445 502934590 /nfs/dbraw/zinc/93/45/90/502934590.db2.gz YRGCFLOMXIOJBC-AWEZNQCLSA-N -1 3 370.630 3.272 20 0 FGADHM Cc1cccc(F)c1S(=O)(=O)[N-]Cc1c(F)cccc1N1CCCC1 ZINC000509590565 502942921 /nfs/dbraw/zinc/94/29/21/502942921.db2.gz DZLYVJHOLNPGTA-UHFFFAOYSA-N -1 3 366.433 3.352 20 0 FGADHM O=S(=O)([N-]c1ccccc1Oc1ccccc1Cl)N1CCOCC1 ZINC000509648846 502957095 /nfs/dbraw/zinc/95/70/95/502957095.db2.gz GKLGEFVSIZHCNB-UHFFFAOYSA-N -1 3 368.842 3.121 20 0 FGADHM Cc1ccc(Cl)cc1C(=O)Nc1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000509665717 502961016 /nfs/dbraw/zinc/96/10/16/502961016.db2.gz 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/nfs/dbraw/zinc/38/27/44/503382744.db2.gz NASMUCBWRUJCNR-SANMLTNESA-N -1 3 373.478 3.359 20 0 FGADHM CCOC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C)c2F)ccc1C ZINC000507903444 503392427 /nfs/dbraw/zinc/39/24/27/503392427.db2.gz GBFRQBOQEUKDRE-UHFFFAOYSA-N -1 3 351.399 3.420 20 0 FGADHM COC(=O)[C@@H](CS(=O)(=O)[N-]c1ccc2occ(C)c2c1)c1ccccc1 ZINC000507938986 503399913 /nfs/dbraw/zinc/39/99/13/503399913.db2.gz XUWXLDKYQBVXKE-KRWDZBQOSA-N -1 3 373.430 3.440 20 0 FGADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-]C[C@H](C)C(C)C ZINC000503426326 503407091 /nfs/dbraw/zinc/40/70/91/503407091.db2.gz JYFUREKIBHGTQH-VIFPVBQESA-N -1 3 368.268 3.167 20 0 FGADHM CCN(CC[C@@H](C(=O)[O-])c1ccccc1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000515856292 503412613 /nfs/dbraw/zinc/41/26/13/503412613.db2.gz QSJIHYDOMNRRGT-WOJBJXKFSA-N -1 3 366.461 3.372 20 0 FGADHM COc1ccc(Br)c(NC(=O)c2cc(F)cc3[n-]nnc32)c1 ZINC000503485273 503418742 /nfs/dbraw/zinc/41/87/42/503418742.db2.gz WUUMTYFGZFIJIZ-UHFFFAOYSA-N -1 3 365.162 3.120 20 0 FGADHM COc1ccc(Br)c(NC(=O)c2cc(F)cc3nn[n-]c32)c1 ZINC000503485273 503418746 /nfs/dbraw/zinc/41/87/46/503418746.db2.gz WUUMTYFGZFIJIZ-UHFFFAOYSA-N -1 3 365.162 3.120 20 0 FGADHM COc1ccc(Br)c(NC(=O)c2cc(F)cc3n[n-]nc32)c1 ZINC000503485273 503418748 /nfs/dbraw/zinc/41/87/48/503418748.db2.gz WUUMTYFGZFIJIZ-UHFFFAOYSA-N -1 3 365.162 3.120 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1cccc2c3c([nH]c21)CCCC3 ZINC000508060039 503421010 /nfs/dbraw/zinc/42/10/10/503421010.db2.gz FKAKFOBCMMUVQZ-UHFFFAOYSA-N -1 3 358.405 3.479 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cccc2c3c([nH]c21)CCCC3 ZINC000508060039 503421017 /nfs/dbraw/zinc/42/10/17/503421017.db2.gz FKAKFOBCMMUVQZ-UHFFFAOYSA-N -1 3 358.405 3.479 20 0 FGADHM CS(=O)(=O)c1ccc(C(=O)[N-]c2cccc3oc(C(F)(F)F)nc32)o1 ZINC000499544831 503428950 /nfs/dbraw/zinc/42/89/50/503428950.db2.gz SZRFBDYYVKEJLL-UHFFFAOYSA-N -1 3 374.296 3.095 20 0 FGADHM O=C(Cc1ccc(Br)cc1[O-])N1CCC[C@@H]1[C@H]1CCCC1=O ZINC000493617192 503436204 /nfs/dbraw/zinc/43/62/04/503436204.db2.gz ARNQADHCBKZMMG-ZIAGYGMSSA-N -1 3 366.255 3.057 20 0 FGADHM Cc1nc(C)c(CCC(=O)N[C@H](C)c2ccccc2OC(C)C)c(=O)[n-]1 ZINC000611950977 506371928 /nfs/dbraw/zinc/37/19/28/506371928.db2.gz XQDUOTPISXMGNO-CYBMUJFWSA-N -1 3 357.454 3.396 20 0 FGADHM O=C(c1c[n-]c2c(F)cc(F)cc2c1=O)N1CCc2cccc(F)c2C1 ZINC000503652307 503451461 /nfs/dbraw/zinc/45/14/61/503451461.db2.gz ABZTUNIULYQMCT-UHFFFAOYSA-N -1 3 358.319 3.144 20 0 FGADHM COCC[C@H]([N-]S(=O)(=O)Cc1cc(Cl)ccc1OC)c1ccco1 ZINC000503707922 503463468 /nfs/dbraw/zinc/46/34/68/503463468.db2.gz KXMJJMWTCAWYAU-AWEZNQCLSA-N -1 3 373.858 3.139 20 0 FGADHM O=C(N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1)c1cnn2ccncc12 ZINC000493958750 503466164 /nfs/dbraw/zinc/46/61/64/503466164.db2.gz VFUFSZDDVOTTJL-UHFFFAOYSA-N -1 3 373.203 3.100 20 0 FGADHM COc1ccccc1[C@@H]1C[C@H]1[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000516194571 503467891 /nfs/dbraw/zinc/46/78/91/503467891.db2.gz MZJDZPJUJBHVBQ-GXTWGEPZSA-N -1 3 355.818 3.322 20 0 FGADHM 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/nfs/dbraw/zinc/50/61/91/503506191.db2.gz TYYTZBCXUXJQLX-HNNXBMFYSA-N -1 3 352.373 3.100 20 0 FGADHM CC(C)[C@H](NC(=O)c1cc(F)cc2n[n-]nc21)c1nc2ccccc2[nH]1 ZINC000503992121 503506196 /nfs/dbraw/zinc/50/61/96/503506196.db2.gz TYYTZBCXUXJQLX-HNNXBMFYSA-N -1 3 352.373 3.100 20 0 FGADHM Cc1cccc(F)c1[N-]S(=O)(=O)c1ccc(OCC(F)(F)F)nc1 ZINC000494330460 503526633 /nfs/dbraw/zinc/52/66/33/503526633.db2.gz HBVUHYNJHVQJHB-UHFFFAOYSA-N -1 3 364.320 3.271 20 0 FGADHM O=c1cc(C[S@@](=O)Cc2csc(Br)c2)nc(C2CC2)[n-]1 ZINC000516554072 503534610 /nfs/dbraw/zinc/53/46/10/503534610.db2.gz OEGZGAFUYLGNPI-FQEVSTJZSA-N -1 3 373.297 3.333 20 0 FGADHM O=C(Cc1ccc(Br)cc1[O-])N1CCc2c1cccc2F ZINC000500053889 503541918 /nfs/dbraw/zinc/54/19/18/503541918.db2.gz XMWGNBXWKFRZKK-UHFFFAOYSA-N -1 3 350.187 3.426 20 0 FGADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)NCC(C)(C)C1CCCC1 ZINC000512498407 503571192 /nfs/dbraw/zinc/57/11/92/503571192.db2.gz CPRSEBUWVIRVTM-UHFFFAOYSA-N -1 3 356.470 3.498 20 0 FGADHM O=S(=O)([N-]Cc1ccc(F)c(F)c1)c1ccccc1C(F)(F)F ZINC000516834419 503595475 /nfs/dbraw/zinc/59/54/75/503595475.db2.gz WMCGAQXOVBWNFQ-UHFFFAOYSA-N -1 3 351.296 3.462 20 0 FGADHM COc1ccc(NC(=O)[N-]c2cnns2)cc1Oc1ccc(C)nn1 ZINC000494701656 503595770 /nfs/dbraw/zinc/59/57/70/503595770.db2.gz ZYPDNWRINVDSIM-UHFFFAOYSA-N -1 3 358.383 3.081 20 0 FGADHM C[C@H]1CCCC[C@@H]1CC(=O)Nc1cc(N2CCCS2(=O)=O)ccc1[O-] ZINC000516842672 503598338 /nfs/dbraw/zinc/59/83/38/503598338.db2.gz QOEZGCMTQNZIKQ-UONOGXRCSA-N -1 3 366.483 3.087 20 0 FGADHM O=C([O-])c1ccc(-c2nc(CN3CC[C@H](C4CCOCC4)C3)co2)cc1 ZINC000516872663 503605826 /nfs/dbraw/zinc/60/58/26/503605826.db2.gz KDTZPEZXVMZLMQ-KRWDZBQOSA-N -1 3 356.422 3.288 20 0 FGADHM Cc1csc(C[N-]S(=O)(=O)c2csc(-c3ccccc3)n2)n1 ZINC000500447637 503627031 /nfs/dbraw/zinc/62/70/31/503627031.db2.gz RMWUCWSACYYDAS-UHFFFAOYSA-N -1 3 351.478 3.054 20 0 FGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)c2cc(C)cc(C)c2)s1 ZINC000500487730 503634959 /nfs/dbraw/zinc/63/49/59/503634959.db2.gz 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503659066 /nfs/dbraw/zinc/65/90/66/503659066.db2.gz QOUGTBIXBMGVCG-UHFFFAOYSA-N -1 3 355.434 3.417 20 0 FGADHM O=S(=O)([N-][C@@H](c1ccccc1)[C@H]1CCOC1)c1ccc(F)c(F)c1 ZINC000540069712 503661958 /nfs/dbraw/zinc/66/19/58/503661958.db2.gz VMXOLVXGUXVRLN-GUYCJALGSA-N -1 3 353.390 3.021 20 0 FGADHM C[C@]1(c2ccc(-c3noc(C4(C)CCCCCC4)n3)cc2)NC(=O)[N-]C1=O ZINC000546236999 503682146 /nfs/dbraw/zinc/68/21/46/503682146.db2.gz FHKZNFMTQOPTPZ-HXUWFJFHSA-N -1 3 368.437 3.403 20 0 FGADHM O=c1cc(CS(=O)(=O)c2ccc(Cl)cc2Cl)nc(C2CC2)[n-]1 ZINC000517222494 503682742 /nfs/dbraw/zinc/68/27/42/503682742.db2.gz FKBLSJJQGBMCBA-UHFFFAOYSA-N -1 3 359.234 3.340 20 0 FGADHM O=S(=O)([N-][C@@H]1C[C@@H]2OCCC[C@@H]12)c1c(Cl)ccc2ccccc21 ZINC000527122230 503688685 /nfs/dbraw/zinc/68/86/85/503688685.db2.gz CUSCODDZPWQVKO-IMJJTQAJSA-N -1 3 351.855 3.339 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3cccc(CN(C)C)c3)c[n-]c12 ZINC000495174615 503689558 /nfs/dbraw/zinc/68/95/58/503689558.db2.gz QCXIXHGPOIJUKJ-UHFFFAOYSA-N -1 3 353.397 3.290 20 0 FGADHM COc1ccccc1-c1nc(NC(=O)C(C)(C)c2ccccc2OC)n[n-]1 ZINC000495186200 503693936 /nfs/dbraw/zinc/69/39/36/503693936.db2.gz BHXZKUKGPAVYGU-UHFFFAOYSA-N -1 3 366.421 3.405 20 0 FGADHM O=S(=O)([N-]C[C@H](O)CCc1ccccc1)c1cc(Cl)cc(Cl)c1 ZINC000543248436 503697783 /nfs/dbraw/zinc/69/77/83/503697783.db2.gz ASVVBYWSJHQYCK-OAHLLOKOSA-N -1 3 374.289 3.265 20 0 FGADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C)c2Cl)c(OC)c1 ZINC000527194133 503713257 /nfs/dbraw/zinc/71/32/57/503713257.db2.gz WMAPJJOBPVSCOC-UHFFFAOYSA-N -1 3 369.826 3.244 20 0 FGADHM COc1ccc(C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)cc1-c1ccccn1 ZINC000527209109 503720419 /nfs/dbraw/zinc/72/04/19/503720419.db2.gz YHAKHQRPVCMQNS-SFHVURJKSA-N -1 3 364.405 3.006 20 0 FGADHM Cc1ncc(CNC(=O)Nc2ccc(Br)c(Cl)c2)c(=O)[n-]1 ZINC000543314473 503720678 /nfs/dbraw/zinc/72/06/78/503720678.db2.gz BMDJJWZNIIKSAO-UHFFFAOYSA-N -1 3 371.622 3.228 20 0 FGADHM O=C(CSCc1ccc(Cl)cc1)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000527208620 503720754 /nfs/dbraw/zinc/72/07/54/503720754.db2.gz AASMSUHROZOTDE-CQSZACIVSA-N -1 3 351.859 3.208 20 0 FGADHM C[C@@]1(c2cccc(-c3noc(-c4coc5ccccc45)n3)c2)NC(=O)[N-]C1=O ZINC000546361282 503723858 /nfs/dbraw/zinc/72/38/58/503723858.db2.gz SLHYKMDMCSPTEE-FQEVSTJZSA-N -1 3 374.356 3.204 20 0 FGADHM COc1cc2c(cc1F)[n-]cc(C(=O)Nc1cnc3ccccc3c1)c2=O ZINC000536852558 503741010 /nfs/dbraw/zinc/74/10/10/503741010.db2.gz NZWQZTHNRBYPJT-UHFFFAOYSA-N -1 3 363.348 3.476 20 0 FGADHM COc1ccccc1SC[C@H](C)C[N-]S(=O)(=O)c1cnc(C)s1 ZINC000533174496 503749468 /nfs/dbraw/zinc/74/94/68/503749468.db2.gz MWQKNQSJZMCEEE-LLVKDONJSA-N -1 3 372.537 3.167 20 0 FGADHM COc1cccc(C[C@H](C)NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)c1 ZINC000533182040 503753169 /nfs/dbraw/zinc/75/31/69/503753169.db2.gz IJGNZUYRTFYLER-ZDUSSCGKSA-N -1 3 368.408 3.345 20 0 FGADHM COC(=O)c1csc(S(=O)(=O)[N-][C@@H](C)Cc2ccc(C)cc2C)c1 ZINC000517495805 503756978 /nfs/dbraw/zinc/75/69/78/503756978.db2.gz ASQDISQNYABVQO-ZDUSSCGKSA-N -1 3 367.492 3.061 20 0 FGADHM Cc1ncc(CN[C@H]2CCCOc3c(Br)cccc32)c(=O)[n-]1 ZINC000543427564 503765105 /nfs/dbraw/zinc/76/51/05/503765105.db2.gz OWABFYRUWKBFGO-AWEZNQCLSA-N -1 3 364.243 3.257 20 0 FGADHM O=C(c1c[n-]c2ccc(Br)cc2c1=O)N(CC(F)F)C1CC1 ZINC000543431301 503767671 /nfs/dbraw/zinc/76/76/71/503767671.db2.gz DLZVORGNZLMSTM-UHFFFAOYSA-N -1 3 371.181 3.160 20 0 FGADHM O=C(c1cnc2ccc(Br)cc2c1[O-])N(CC(F)F)C1CC1 ZINC000543431301 503767672 /nfs/dbraw/zinc/76/76/72/503767672.db2.gz DLZVORGNZLMSTM-UHFFFAOYSA-N -1 3 371.181 3.160 20 0 FGADHM Cc1cccc(O[C@@H]2CCCC[C@H]2NC(=O)c2cccc3nn[n-]c32)c1 ZINC000527365845 503779177 /nfs/dbraw/zinc/77/91/77/503779177.db2.gz FWENCSSXXWCPLW-SJLPKXTDSA-N -1 3 350.422 3.386 20 0 FGADHM Cc1cccc(O[C@@H]2CCCC[C@H]2NC(=O)c2cccc3[n-]nnc32)c1 ZINC000527365845 503779180 /nfs/dbraw/zinc/77/91/80/503779180.db2.gz FWENCSSXXWCPLW-SJLPKXTDSA-N -1 3 350.422 3.386 20 0 FGADHM Cc1cccc(O[C@@H]2CCCC[C@H]2NC(=O)c2cccc3n[n-]nc32)c1 ZINC000527365845 503779184 /nfs/dbraw/zinc/77/91/84/503779184.db2.gz 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373.497 3.219 20 0 FGADHM CCOC(=O)c1csc(=NC[C@@H](c2ccc(Cl)cc2)N(C)C)[n-]1 ZINC000590692307 506911260 /nfs/dbraw/zinc/91/12/60/506911260.db2.gz HECHWWGJTUABBO-AWEZNQCLSA-N -1 3 353.875 3.110 20 0 FGADHM CCOC(=O)c1cc(S(=O)(=O)[N-]c2c(C)cc(C)cc2Cl)cn1C ZINC000613112018 506920612 /nfs/dbraw/zinc/92/06/12/506920612.db2.gz IPZATUCGBWSSLL-UHFFFAOYSA-N -1 3 370.858 3.273 20 0 FGADHM CC(C)(C)OC(=O)[C@H](C(=O)NCc1ccc([O-])c(F)c1)C1CCCC1 ZINC000597410192 506937235 /nfs/dbraw/zinc/93/72/35/506937235.db2.gz OBKFDZPIVHGWEK-INIZCTEOSA-N -1 3 351.418 3.296 20 0 FGADHM Cc1ccc(Cc2ccccn2)cc1NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000583765265 506961446 /nfs/dbraw/zinc/96/14/46/506961446.db2.gz HJTMQIGHXXLZQO-UHFFFAOYSA-N -1 3 371.396 3.117 20 0 FGADHM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]CC(=O)OC(C)(C)C)c1Cl ZINC000609675708 506971068 /nfs/dbraw/zinc/97/10/68/506971068.db2.gz VMEZKXFZGFCKEY-UHFFFAOYSA-N -1 3 368.282 3.230 20 0 FGADHM O=c1[n-]c(CN2CCOC[C@@H]2c2ccco2)nc2c3ccccc3oc21 ZINC000604888625 506977182 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/nfs/dbraw/zinc/25/22/02/507252202.db2.gz AOWRTXVOLLSSNG-UHFFFAOYSA-N -1 3 353.513 3.053 20 0 FGADHM CCc1cc(C(=O)Nc2cnn(C(C)(C)C(=O)OC(C)(C)C)c2)ccc1[O-] ZINC000598114723 507263995 /nfs/dbraw/zinc/26/39/95/507263995.db2.gz WSXHUMOXPVHFRP-UHFFFAOYSA-N -1 3 373.453 3.480 20 0 FGADHM O=C(NCCCCc1ccc(Cl)s1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000584307651 507269133 /nfs/dbraw/zinc/26/91/33/507269133.db2.gz VWFDMPYMTRZQNS-UHFFFAOYSA-N -1 3 362.838 3.038 20 0 FGADHM O=C(Nc1ccc(OCC(F)(F)F)nc1)c1c[n-]nc1-c1ccncc1 ZINC000613869241 507286009 /nfs/dbraw/zinc/28/60/09/507286009.db2.gz FCVCCGCSQWMXRV-UHFFFAOYSA-N -1 3 363.299 3.060 20 0 FGADHM O=C(Nc1ccc(OCC(F)(F)F)nc1)c1cn[n-]c1-c1ccncc1 ZINC000613869241 507286014 /nfs/dbraw/zinc/28/60/14/507286014.db2.gz FCVCCGCSQWMXRV-UHFFFAOYSA-N -1 3 363.299 3.060 20 0 FGADHM O=C(CNC(=O)c1ccc([O-])cc1)NCC1CCC(c2ccccc2)CC1 ZINC000594854905 507296060 /nfs/dbraw/zinc/29/60/60/507296060.db2.gz JVOFEPDIWYDNRM-UHFFFAOYSA-N -1 3 366.461 3.212 20 0 FGADHM COC(=O)c1cc(C)nc2nc(SCCCOC(C)(C)C)[n-]c(=O)c12 ZINC000610684229 507346814 /nfs/dbraw/zinc/34/68/14/507346814.db2.gz MUUOQVDZCMUSAD-UHFFFAOYSA-N -1 3 365.455 3.123 20 0 FGADHM CCOC(=O)c1nc(C2CCN(C(=O)C[C@@H](CC)C(C)(C)C)CC2)n[n-]1 ZINC000601537506 507382544 /nfs/dbraw/zinc/38/25/44/507382544.db2.gz AOVHWUDEIWZCAD-CQSZACIVSA-N -1 3 364.490 3.150 20 0 FGADHM CCOC(=O)c1nnc(C2CCN(C(=O)C[C@@H](CC)C(C)(C)C)CC2)[n-]1 ZINC000601537506 507382552 /nfs/dbraw/zinc/38/25/52/507382552.db2.gz AOVHWUDEIWZCAD-CQSZACIVSA-N -1 3 364.490 3.150 20 0 FGADHM O=S(=O)(CCC1CCC1)[N-][C@@H](CO)c1c(Cl)cccc1Cl ZINC000584557687 507408792 /nfs/dbraw/zinc/40/87/92/507408792.db2.gz ITYXQABZQAEAEX-ZDUSSCGKSA-N -1 3 352.283 3.136 20 0 FGADHM CS[C@H](C)C[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC000592039222 507461564 /nfs/dbraw/zinc/46/15/64/507461564.db2.gz TYFIUBUZOWZAQF-SSDOTTSWSA-N -1 3 363.810 3.268 20 0 FGADHM COc1ccc2[nH]cc(CCNC(=O)NCc3ccc([O-])c(F)c3)c2c1 ZINC000606688291 507480744 /nfs/dbraw/zinc/48/07/44/507480744.db2.gz MQUBHMLIZJEDBD-UHFFFAOYSA-N -1 3 357.385 3.063 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)N1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000606714631 507491172 /nfs/dbraw/zinc/49/11/72/507491172.db2.gz PIWNALISMKKVSI-UHFFFAOYSA-N -1 3 366.396 3.407 20 0 FGADHM CC[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C(=O)OC)C1CCCCC1 ZINC000611144556 507533227 /nfs/dbraw/zinc/53/32/27/507533227.db2.gz UZVKEMYMPCZPPY-OAHLLOKOSA-N -1 3 357.447 3.250 20 0 FGADHM O=S(=O)([N-]Cc1ccccc1OCC1CC1)c1ccc(F)cc1F ZINC000606908113 507552517 /nfs/dbraw/zinc/55/25/17/507552517.db2.gz LMPBVRRQZQZCOB-UHFFFAOYSA-N -1 3 353.390 3.232 20 0 FGADHM C[C@H](CC1CCCC1)C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000607096928 507611234 /nfs/dbraw/zinc/61/12/34/507611234.db2.gz XPCYBAWVFATBHI-GFCCVEGCSA-N -1 3 368.474 3.421 20 0 FGADHM CCCCc1nc(C(=O)OCC)c(NC(=O)c2ncnc3ccsc32)[n-]1 ZINC000598831019 507625002 /nfs/dbraw/zinc/62/50/02/507625002.db2.gz GNUYNUAJMDJBFW-UHFFFAOYSA-N -1 3 373.438 3.186 20 0 FGADHM CCCCc1nc(NC(=O)c2ncnc3ccsc32)c(C(=O)OCC)[n-]1 ZINC000598831019 507625005 /nfs/dbraw/zinc/62/50/05/507625005.db2.gz GNUYNUAJMDJBFW-UHFFFAOYSA-N -1 3 373.438 3.186 20 0 FGADHM CC[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)C1 ZINC000607163007 507640114 /nfs/dbraw/zinc/64/01/14/507640114.db2.gz MPFMVQNKUOWMLY-WCQYABFASA-N -1 3 370.902 3.472 20 0 FGADHM CC[C@@H](NC(=O)N1CCN(C(=O)c2cccc([O-])c2)CC1)C1CCCCC1 ZINC000586284392 507652257 /nfs/dbraw/zinc/65/22/57/507652257.db2.gz CIGWKELDDYQFPQ-LJQANCHMSA-N -1 3 373.497 3.219 20 0 FGADHM CCSc1ccccc1C(=O)N[C@H](C)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000614823269 507665510 /nfs/dbraw/zinc/66/55/10/507665510.db2.gz PIODFHCSPSEPBY-CHWSQXEVSA-N -1 3 373.478 3.292 20 0 FGADHM C[C@@H](CSCCNCc1cccc(F)c1Br)C(=O)[O-] ZINC000592461846 507665790 /nfs/dbraw/zinc/66/57/90/507665790.db2.gz MKGGKQHFGGGDOD-VIFPVBQESA-N -1 3 350.253 3.132 20 0 FGADHM C[C@H](NC(=O)c1cccc(C2CC2)c1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000614822068 507666339 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351.410 3.354 20 0 FGADHM CC(=O)CCC(C)(C)C(=O)Nc1nc(-c2ccc3ccccc3n2)n[n-]1 ZINC000615118514 507759546 /nfs/dbraw/zinc/75/95/46/507759546.db2.gz BGJIXJSHGWCGLX-UHFFFAOYSA-N -1 3 351.410 3.354 20 0 FGADHM CC(=O)CCC(C)(C)C(=O)Nc1n[n-]c(-c2ccc3ccccc3n2)n1 ZINC000615118514 507759551 /nfs/dbraw/zinc/75/95/51/507759551.db2.gz BGJIXJSHGWCGLX-UHFFFAOYSA-N -1 3 351.410 3.354 20 0 FGADHM COC(=O)c1cc(Cl)cc(NC(=O)c2ccc(N(C)C)cc2F)c1[O-] ZINC000588100527 507762508 /nfs/dbraw/zinc/76/25/08/507762508.db2.gz FECVASGERMODRU-UHFFFAOYSA-N -1 3 366.776 3.290 20 0 FGADHM COC(=O)c1cc(Cl)cc(NC(=O)c2ccc(C(F)(F)F)cn2)c1[O-] ZINC000588100490 507762779 /nfs/dbraw/zinc/76/27/79/507762779.db2.gz CQMSLHZXTBNWKF-UHFFFAOYSA-N -1 3 374.702 3.498 20 0 FGADHM COc1cccc(C(=O)N=c2cc3ccc(Br)cn3[n-]2)c1F ZINC000509082513 515016827 /nfs/dbraw/zinc/01/68/27/515016827.db2.gz JXXPAAFMIXRVBG-UHFFFAOYSA-N -1 3 364.174 3.497 20 0 FGADHM O=C(NCc1nccn1CCc1ccccc1)c1csc(=NC2CC2)[n-]1 ZINC000476596018 515121606 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O=C(O[C@@H]1C=CCCC1)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000738212100 598845691 /nfs/dbraw/zinc/84/56/91/598845691.db2.gz CGVHDDMXCPYLEA-OAHLLOKOSA-N -1 3 363.377 3.320 20 0 FGADHM O=C(O[C@@H]1C=CCCC1)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000738212100 598845693 /nfs/dbraw/zinc/84/56/93/598845693.db2.gz CGVHDDMXCPYLEA-OAHLLOKOSA-N -1 3 363.377 3.320 20 0 FGADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCCCC(C)(C)C ZINC000735736595 598848119 /nfs/dbraw/zinc/84/81/19/598848119.db2.gz UKUJSBHMZIGYDM-INIZCTEOSA-N -1 3 359.474 3.213 20 0 FGADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCCCC(C)(C)C ZINC000735736595 598848120 /nfs/dbraw/zinc/84/81/20/598848120.db2.gz UKUJSBHMZIGYDM-INIZCTEOSA-N -1 3 359.474 3.213 20 0 FGADHM O=C(OCc1cn2ccccc2c1-c1nnn[n-]1)c1coc2ccccc12 ZINC000738234519 598849835 /nfs/dbraw/zinc/84/98/35/598849835.db2.gz INWDBARLSWUFOC-UHFFFAOYSA-N -1 3 359.345 3.223 20 0 FGADHM O=C(OCc1cn2ccccc2c1-c1nn[n-]n1)c1coc2ccccc12 ZINC000738234519 598849837 /nfs/dbraw/zinc/84/98/37/598849837.db2.gz INWDBARLSWUFOC-UHFFFAOYSA-N -1 3 359.345 3.223 20 0 FGADHM Cc1occc1COC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000737557929 598857477 /nfs/dbraw/zinc/85/74/77/598857477.db2.gz XKWHOBIHFXBOQX-UHFFFAOYSA-N -1 3 356.382 3.061 20 0 FGADHM Cc1occc1COC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000737557929 598857479 /nfs/dbraw/zinc/85/74/79/598857479.db2.gz XKWHOBIHFXBOQX-UHFFFAOYSA-N -1 3 356.382 3.061 20 0 FGADHM CCCc1ccc(N[C@@H](C(=O)OC)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736498217 598877748 /nfs/dbraw/zinc/87/77/48/598877748.db2.gz WLGHGFZRJLVSHZ-QGZVFWFLSA-N -1 3 351.410 3.145 20 0 FGADHM CCCc1ccc(N[C@@H](C(=O)OC)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736498217 598877750 /nfs/dbraw/zinc/87/77/50/598877750.db2.gz WLGHGFZRJLVSHZ-QGZVFWFLSA-N -1 3 351.410 3.145 20 0 FGADHM CC[C@H](N[C@H](C(=O)OC)c1ccc(-c2nnn[n-]2)cc1)C1CCCCC1 ZINC000736371647 598883977 /nfs/dbraw/zinc/88/39/77/598883977.db2.gz REWKXXFELVJYGF-IRXDYDNUSA-N -1 3 357.458 3.029 20 0 FGADHM CC[C@H](N[C@H](C(=O)OC)c1ccc(-c2nn[n-]n2)cc1)C1CCCCC1 ZINC000736371647 598883979 /nfs/dbraw/zinc/88/39/79/598883979.db2.gz REWKXXFELVJYGF-IRXDYDNUSA-N -1 3 357.458 3.029 20 0 FGADHM CCn1ccnc1CNCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000736722024 598887318 /nfs/dbraw/zinc/88/73/18/598887318.db2.gz MKZGCJAJMWJUFN-UHFFFAOYSA-N -1 3 365.466 3.101 20 0 FGADHM CCn1ccnc1CNCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000736722024 598887320 /nfs/dbraw/zinc/88/73/20/598887320.db2.gz MKZGCJAJMWJUFN-UHFFFAOYSA-N -1 3 365.466 3.101 20 0 FGADHM c1ccc2c(c1)ccnc2-c1noc(COc2cccc(-c3nnn[n-]3)c2)n1 ZINC000738418959 598891343 /nfs/dbraw/zinc/89/13/43/598891343.db2.gz KAZGAJKZAQTZOS-UHFFFAOYSA-N -1 3 371.360 3.044 20 0 FGADHM c1ccc2c(c1)ccnc2-c1noc(COc2cccc(-c3nn[n-]n3)c2)n1 ZINC000738418959 598891345 /nfs/dbraw/zinc/89/13/45/598891345.db2.gz KAZGAJKZAQTZOS-UHFFFAOYSA-N -1 3 371.360 3.044 20 0 FGADHM Clc1cc(-c2nnn[n-]2)cnc1Nc1ccc(N2CCCCC2)nc1 ZINC000737558890 598891579 /nfs/dbraw/zinc/89/15/79/598891579.db2.gz QXVUFYFTAKWXOV-UHFFFAOYSA-N -1 3 356.821 3.044 20 0 FGADHM Clc1cc(-c2nn[n-]n2)cnc1Nc1ccc(N2CCCCC2)nc1 ZINC000737558890 598891581 /nfs/dbraw/zinc/89/15/81/598891581.db2.gz QXVUFYFTAKWXOV-UHFFFAOYSA-N -1 3 356.821 3.044 20 0 FGADHM c1ccc2c(c1)ccnc2-c1noc(Cc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000738432094 598891607 /nfs/dbraw/zinc/89/16/07/598891607.db2.gz DXZFYVADWZDAFS-UHFFFAOYSA-N -1 3 355.361 3.056 20 0 FGADHM c1ccc2c(c1)ccnc2-c1noc(Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000738432094 598891609 /nfs/dbraw/zinc/89/16/09/598891609.db2.gz DXZFYVADWZDAFS-UHFFFAOYSA-N -1 3 355.361 3.056 20 0 FGADHM Cc1cc(C(F)(F)F)c(-c2nnn[n-]2)c(SCCc2cccnc2)n1 ZINC000737247156 598892403 /nfs/dbraw/zinc/89/24/03/598892403.db2.gz ZQSQIIIZGYWZLW-UHFFFAOYSA-N -1 3 366.372 3.319 20 0 FGADHM O=C(COc1ccc(-c2nn[n-]n2)cc1)OCc1ccc2ccccc2c1 ZINC000737918789 598894099 /nfs/dbraw/zinc/89/40/99/598894099.db2.gz LJDYDFYYHKNAPZ-UHFFFAOYSA-N -1 3 360.373 3.142 20 0 FGADHM CCN(C(=O)c1cc2ccccn2c1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736505746 598895564 /nfs/dbraw/zinc/89/55/64/598895564.db2.gz LZZHQAVPWXFRCS-CQSZACIVSA-N -1 3 360.421 3.343 20 0 FGADHM CCN(C(=O)c1cc2ccccn2c1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736505746 598895565 /nfs/dbraw/zinc/89/55/65/598895565.db2.gz LZZHQAVPWXFRCS-CQSZACIVSA-N -1 3 360.421 3.343 20 0 FGADHM CC(C)[C@@H](Cc1ccccc1)C(=O)OCc1cccc(-c2nnn[n-]2)c1 ZINC000735707798 598901691 /nfs/dbraw/zinc/90/16/91/598901691.db2.gz DJSFAOLZVDREGH-GOSISDBHSA-N -1 3 350.422 3.425 20 0 FGADHM CC(C)[C@@H](Cc1ccccc1)C(=O)OCc1cccc(-c2nn[n-]n2)c1 ZINC000735707798 598901693 /nfs/dbraw/zinc/90/16/93/598901693.db2.gz DJSFAOLZVDREGH-GOSISDBHSA-N -1 3 350.422 3.425 20 0 FGADHM CC(C)(C)C(=O)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735587002 598905101 /nfs/dbraw/zinc/90/51/01/598905101.db2.gz PDHSRDVUGMWYCQ-UHFFFAOYSA-N -1 3 365.393 3.213 20 0 FGADHM CC(C)(C)C(=O)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735587002 598905102 /nfs/dbraw/zinc/90/51/02/598905102.db2.gz PDHSRDVUGMWYCQ-UHFFFAOYSA-N -1 3 365.393 3.213 20 0 FGADHM C[C@H](NC(=O)N1CCC[C@]2(CC=CCC2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736113553 598919291 /nfs/dbraw/zinc/91/92/91/598919291.db2.gz PMZMBBGLXOVSIS-MGPUTAFESA-N -1 3 366.469 3.460 20 0 FGADHM C[C@H](NC(=O)N1CCC[C@]2(CC=CCC2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736113553 598919292 /nfs/dbraw/zinc/91/92/92/598919292.db2.gz PMZMBBGLXOVSIS-MGPUTAFESA-N -1 3 366.469 3.460 20 0 FGADHM C[C@@H]1CCCC[C@@H]1CCNC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000736259966 598921732 /nfs/dbraw/zinc/92/17/32/598921732.db2.gz GLQQRDLTNXRRHG-CHWSQXEVSA-N -1 3 360.437 3.021 20 0 FGADHM C[C@@H]1CCCC[C@@H]1CCNC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000736259966 598921734 /nfs/dbraw/zinc/92/17/34/598921734.db2.gz GLQQRDLTNXRRHG-CHWSQXEVSA-N -1 3 360.437 3.021 20 0 FGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cccc2ncccc21 ZINC000735905577 598932291 /nfs/dbraw/zinc/93/22/91/598932291.db2.gz LJLMEQHDLZZJNF-UHFFFAOYSA-N -1 3 374.404 3.454 20 0 FGADHM Clc1cc(-c2nnn[n-]2)cnc1NCc1cc(-c2ccccc2)on1 ZINC000737557570 598940413 /nfs/dbraw/zinc/94/04/13/598940413.db2.gz GCCNSOPAPRUONC-UHFFFAOYSA-N -1 3 353.773 3.182 20 0 FGADHM Clc1cc(-c2nn[n-]n2)cnc1NCc1cc(-c2ccccc2)on1 ZINC000737557570 598940415 /nfs/dbraw/zinc/94/04/15/598940415.db2.gz GCCNSOPAPRUONC-UHFFFAOYSA-N -1 3 353.773 3.182 20 0 FGADHM CC[C@@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1cc(F)ccc1F ZINC000736355907 598944193 /nfs/dbraw/zinc/94/41/93/598944193.db2.gz KQZWFVOMUHXRHY-CGQZWFTASA-N -1 3 369.375 3.426 20 0 FGADHM CC[C@@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1cc(F)ccc1F ZINC000736355907 598944194 /nfs/dbraw/zinc/94/41/94/598944194.db2.gz KQZWFVOMUHXRHY-CGQZWFTASA-N -1 3 369.375 3.426 20 0 FGADHM CC[C@H](C)c1ccc(OS(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)cc1 ZINC000736325655 598948212 /nfs/dbraw/zinc/94/82/12/598948212.db2.gz GKVSLTRLRBYMPQ-LBPRGKRZSA-N -1 3 372.450 3.456 20 0 FGADHM CC[C@H](C)c1ccc(OS(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)cc1 ZINC000736325655 598948213 /nfs/dbraw/zinc/94/82/13/598948213.db2.gz GKVSLTRLRBYMPQ-LBPRGKRZSA-N -1 3 372.450 3.456 20 0 FGADHM O[C@H](CNc1cc(-c2nnn[n-]2)c2ccccc2n1)c1ccccc1Cl ZINC000738383019 598974378 /nfs/dbraw/zinc/97/43/78/598974378.db2.gz MVWYZECPQLFKIG-MRXNPFEDSA-N -1 3 366.812 3.214 20 0 FGADHM O[C@H](CNc1cc(-c2nn[n-]n2)c2ccccc2n1)c1ccccc1Cl ZINC000738383019 598974380 /nfs/dbraw/zinc/97/43/80/598974380.db2.gz MVWYZECPQLFKIG-MRXNPFEDSA-N -1 3 366.812 3.214 20 0 FGADHM CC[C@H](C)c1ccc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000736330499 598994210 /nfs/dbraw/zinc/99/42/10/598994210.db2.gz YUBKGOLUYXRSFC-LBPRGKRZSA-N -1 3 372.450 3.456 20 0 FGADHM CC[C@H](C)c1ccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000736330499 598994212 /nfs/dbraw/zinc/99/42/12/598994212.db2.gz YUBKGOLUYXRSFC-LBPRGKRZSA-N -1 3 372.450 3.456 20 0 FGADHM CC(C)c1ccc(CS[C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735929431 599012642 /nfs/dbraw/zinc/01/26/42/599012642.db2.gz ZALHTCNSFITBQY-KRWDZBQOSA-N -1 3 367.478 3.450 20 0 FGADHM CC(C)c1ccc(CS[C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735929431 599012643 /nfs/dbraw/zinc/01/26/43/599012643.db2.gz ZALHTCNSFITBQY-KRWDZBQOSA-N -1 3 367.478 3.450 20 0 FGADHM C[C@@H](OC(=O)c1sccc1-c1nnn[n-]1)c1nc2cc(Cl)ccc2[nH]1 ZINC000736162950 599027626 /nfs/dbraw/zinc/02/76/26/599027626.db2.gz FUWQTQVDZSSYTH-SSDOTTSWSA-N -1 3 374.813 3.376 20 0 FGADHM C[C@@H](OC(=O)c1sccc1-c1nn[n-]n1)c1nc2cc(Cl)ccc2[nH]1 ZINC000736162950 599027629 /nfs/dbraw/zinc/02/76/29/599027629.db2.gz FUWQTQVDZSSYTH-SSDOTTSWSA-N -1 3 374.813 3.376 20 0 FGADHM C[C@H](OC(=O)c1sccc1-c1nnn[n-]1)c1nc2cc(Cl)ccc2[nH]1 ZINC000736162952 599027874 /nfs/dbraw/zinc/02/78/74/599027874.db2.gz FUWQTQVDZSSYTH-ZETCQYMHSA-N -1 3 374.813 3.376 20 0 FGADHM C[C@H](OC(=O)c1sccc1-c1nn[n-]n1)c1nc2cc(Cl)ccc2[nH]1 ZINC000736162952 599027875 /nfs/dbraw/zinc/02/78/75/599027875.db2.gz FUWQTQVDZSSYTH-ZETCQYMHSA-N -1 3 374.813 3.376 20 0 FGADHM CCc1cccc(C)c1NC(=O)CNc1cccc(-c2nnn[n-]2)c1C ZINC000821492897 607257438 /nfs/dbraw/zinc/25/74/38/607257438.db2.gz YSPWDYLAIYKWLS-UHFFFAOYSA-N -1 3 350.426 3.097 20 0 FGADHM CCc1cccc(C)c1NC(=O)CNc1cccc(-c2nn[n-]n2)c1C ZINC000821492897 607257439 /nfs/dbraw/zinc/25/74/39/607257439.db2.gz YSPWDYLAIYKWLS-UHFFFAOYSA-N -1 3 350.426 3.097 20 0 FGADHM COc1ccccc1[C@H](C)Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000737143600 599039658 /nfs/dbraw/zinc/03/96/58/599039658.db2.gz WSKVUYFJWGBPQY-VIFPVBQESA-N -1 3 364.331 3.462 20 0 FGADHM COc1ccccc1[C@H](C)Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000737143600 599039661 /nfs/dbraw/zinc/03/96/61/599039661.db2.gz WSKVUYFJWGBPQY-VIFPVBQESA-N -1 3 364.331 3.462 20 0 FGADHM COC(=O)C(C)(C)c1ccc(Nc2ncc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000821639044 599039954 /nfs/dbraw/zinc/03/99/54/599039954.db2.gz NTIZGIWZKXMRBP-UHFFFAOYSA-N -1 3 372.816 3.109 20 0 FGADHM COC(=O)C(C)(C)c1ccc(Nc2ncc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000821639044 599039957 /nfs/dbraw/zinc/03/99/57/599039957.db2.gz NTIZGIWZKXMRBP-UHFFFAOYSA-N -1 3 372.816 3.109 20 0 FGADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(N2CCCc3ccccc3C2)n1 ZINC000737632195 599055019 /nfs/dbraw/zinc/05/50/19/599055019.db2.gz KZAFTNTXSQHZGG-UHFFFAOYSA-N -1 3 360.343 3.233 20 0 FGADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(N2CCCc3ccccc3C2)n1 ZINC000737632195 599055022 /nfs/dbraw/zinc/05/50/22/599055022.db2.gz KZAFTNTXSQHZGG-UHFFFAOYSA-N -1 3 360.343 3.233 20 0 FGADHM CCCO[C@H]1CCCN(c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)CC1 ZINC000736487715 599056580 /nfs/dbraw/zinc/05/65/80/599056580.db2.gz HYGKLWFXOVKGDP-NSHDSACASA-N -1 3 370.379 3.066 20 0 FGADHM CCCO[C@H]1CCCN(c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)CC1 ZINC000736487715 599056583 /nfs/dbraw/zinc/05/65/83/599056583.db2.gz HYGKLWFXOVKGDP-NSHDSACASA-N -1 3 370.379 3.066 20 0 FGADHM Cc1ccnc(-c2ccc(Nc3ncc(-c4nnn[n-]4)cc3Cl)cc2)n1 ZINC000737437833 599061649 /nfs/dbraw/zinc/06/16/49/599061649.db2.gz RKGPRWXCWBYVNM-UHFFFAOYSA-N -1 3 364.800 3.424 20 0 FGADHM Cc1ccnc(-c2ccc(Nc3ncc(-c4nn[n-]n4)cc3Cl)cc2)n1 ZINC000737437833 599061652 /nfs/dbraw/zinc/06/16/52/599061652.db2.gz RKGPRWXCWBYVNM-UHFFFAOYSA-N -1 3 364.800 3.424 20 0 FGADHM COc1cc(CNc2cccc(F)c2-c2nnn[n-]2)c2ccccc2n1 ZINC000821716701 599062173 /nfs/dbraw/zinc/06/21/73/599062173.db2.gz FHKLEFXEXIGEFQ-UHFFFAOYSA-N -1 3 350.357 3.175 20 0 FGADHM COc1cc(CNc2cccc(F)c2-c2nn[n-]n2)c2ccccc2n1 ZINC000821716701 599062176 /nfs/dbraw/zinc/06/21/76/599062176.db2.gz FHKLEFXEXIGEFQ-UHFFFAOYSA-N -1 3 350.357 3.175 20 0 FGADHM COc1cccc(O[C@@H](C)CNc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000821872165 599062585 /nfs/dbraw/zinc/06/25/85/599062585.db2.gz JVGVZIAJXNDCGN-NSHDSACASA-N -1 3 359.817 3.408 20 0 FGADHM COc1cccc(O[C@@H](C)CNc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000821872165 599062588 /nfs/dbraw/zinc/06/25/88/599062588.db2.gz JVGVZIAJXNDCGN-NSHDSACASA-N -1 3 359.817 3.408 20 0 FGADHM C[C@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(=O)Nc1cccc(F)c1 ZINC000736191414 599062836 /nfs/dbraw/zinc/06/28/36/599062836.db2.gz INBHSLAPQJGVLL-VIFPVBQESA-N -1 3 361.377 3.264 20 0 FGADHM C[C@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(=O)Nc1cccc(F)c1 ZINC000736191414 599062839 /nfs/dbraw/zinc/06/28/39/599062839.db2.gz INBHSLAPQJGVLL-VIFPVBQESA-N -1 3 361.377 3.264 20 0 FGADHM Fc1ccc(CN(CC2CC2)c2ncc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000737652324 599064764 /nfs/dbraw/zinc/06/47/64/599064764.db2.gz WPROURQFWWEKAQ-UHFFFAOYSA-N -1 3 358.808 3.471 20 0 FGADHM Fc1ccc(CN(CC2CC2)c2ncc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000737652324 599064767 /nfs/dbraw/zinc/06/47/67/599064767.db2.gz WPROURQFWWEKAQ-UHFFFAOYSA-N -1 3 358.808 3.471 20 0 FGADHM Cc1ccc(N2CCC[C@H](Nc3nc(C)cc(C)c3-c3nnn[n-]3)C2)cc1 ZINC000822242612 599064985 /nfs/dbraw/zinc/06/49/85/599064985.db2.gz RBJUOMQCRPOSOG-INIZCTEOSA-N -1 3 363.469 3.268 20 0 FGADHM Cc1ccc(N2CCC[C@H](Nc3nc(C)cc(C)c3-c3nn[n-]n3)C2)cc1 ZINC000822242612 599064988 /nfs/dbraw/zinc/06/49/88/599064988.db2.gz RBJUOMQCRPOSOG-INIZCTEOSA-N -1 3 363.469 3.268 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)Cc1ccc(CC)cc1 ZINC000736637018 599072267 /nfs/dbraw/zinc/07/22/67/599072267.db2.gz NFDCJULGGIXYSK-UHFFFAOYSA-N -1 3 351.410 3.009 20 0 FGADHM Cc1cc2nc(NCc3cc(-c4nnn[n-]4)ccc3F)c3ccccc3n2n1 ZINC000822213197 599070678 /nfs/dbraw/zinc/07/06/78/599070678.db2.gz YOOLSRLDPJFTFX-UHFFFAOYSA-N -1 3 374.383 3.122 20 0 FGADHM Cc1cc2nc(NCc3cc(-c4nn[n-]n4)ccc3F)c3ccccc3n2n1 ZINC000822213197 599070680 /nfs/dbraw/zinc/07/06/80/599070680.db2.gz YOOLSRLDPJFTFX-UHFFFAOYSA-N -1 3 374.383 3.122 20 0 FGADHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C1CCCCCCC1 ZINC000736997753 599071909 /nfs/dbraw/zinc/07/19/09/599071909.db2.gz XKVRSIPIQMMXPV-UHFFFAOYSA-N -1 3 371.485 3.202 20 0 FGADHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C1CCCCCCC1 ZINC000736997753 599071910 /nfs/dbraw/zinc/07/19/10/599071910.db2.gz XKVRSIPIQMMXPV-UHFFFAOYSA-N -1 3 371.485 3.202 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)Cc1ccc(CC)cc1 ZINC000736637018 599072265 /nfs/dbraw/zinc/07/22/65/599072265.db2.gz NFDCJULGGIXYSK-UHFFFAOYSA-N -1 3 351.410 3.009 20 0 FGADHM Cc1ccc([C@H]2CCCCN2C(=O)CCc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000737331127 599083734 /nfs/dbraw/zinc/08/37/34/599083734.db2.gz PQGWRJNYPOUAKO-QGZVFWFLSA-N -1 3 365.437 3.455 20 0 FGADHM Cc1ccc([C@H]2CCCCN2C(=O)CCc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000737331127 599083735 /nfs/dbraw/zinc/08/37/35/599083735.db2.gz PQGWRJNYPOUAKO-QGZVFWFLSA-N -1 3 365.437 3.455 20 0 FGADHM C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1C(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736236023 599091096 /nfs/dbraw/zinc/09/10/96/599091096.db2.gz QPZAMFULAIDMKE-VCBZYWHSSA-N -1 3 361.449 3.202 20 0 FGADHM C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1C(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736236023 599091099 /nfs/dbraw/zinc/09/10/99/599091099.db2.gz QPZAMFULAIDMKE-VCBZYWHSSA-N -1 3 361.449 3.202 20 0 FGADHM CC[C@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)c1ccc2c(c1)OCCO2 ZINC000820926711 599095903 /nfs/dbraw/zinc/09/59/03/599095903.db2.gz VQJCFSGIJBRJDR-ZDUSSCGKSA-N -1 3 372.816 3.250 20 0 FGADHM CC[C@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)c1ccc2c(c1)OCCO2 ZINC000820926711 599095906 /nfs/dbraw/zinc/09/59/06/599095906.db2.gz VQJCFSGIJBRJDR-ZDUSSCGKSA-N -1 3 372.816 3.250 20 0 FGADHM CCc1ccc(N2CCN(c3c(F)cc(-c4nnn[n-]4)cc3F)CC2)cc1 ZINC000821486763 599099033 /nfs/dbraw/zinc/09/90/33/599099033.db2.gz LBOIMEGBYRQRGC-UHFFFAOYSA-N -1 3 370.407 3.034 20 0 FGADHM CCc1ccc(N2CCN(c3c(F)cc(-c4nn[n-]n4)cc3F)CC2)cc1 ZINC000821486763 599099036 /nfs/dbraw/zinc/09/90/36/599099036.db2.gz LBOIMEGBYRQRGC-UHFFFAOYSA-N -1 3 370.407 3.034 20 0 FGADHM Fc1cccc(NCCc2nc(C(F)(F)F)cs2)c1-c1nnn[n-]1 ZINC000822792437 599105639 /nfs/dbraw/zinc/10/56/39/599105639.db2.gz WIKGAIKFSDGMEU-UHFFFAOYSA-N -1 3 358.324 3.136 20 0 FGADHM Fc1cccc(NCCc2nc(C(F)(F)F)cs2)c1-c1nn[n-]n1 ZINC000822792437 599105640 /nfs/dbraw/zinc/10/56/40/599105640.db2.gz WIKGAIKFSDGMEU-UHFFFAOYSA-N -1 3 358.324 3.136 20 0 FGADHM COC(=O)[C@H](Sc1ccc(C)c(C)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736901969 599111783 /nfs/dbraw/zinc/11/17/83/599111783.db2.gz PWUZFGIFDWVAJQ-MRXNPFEDSA-N -1 3 354.435 3.490 20 0 FGADHM COC(=O)[C@H](Sc1ccc(C)c(C)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736901969 599111786 /nfs/dbraw/zinc/11/17/86/599111786.db2.gz PWUZFGIFDWVAJQ-MRXNPFEDSA-N -1 3 354.435 3.490 20 0 FGADHM Cc1noc(CNc2ccc(Oc3ccccc3-c3nnn[n-]3)c(F)c2)n1 ZINC000822528129 599133939 /nfs/dbraw/zinc/13/39/39/599133939.db2.gz UAGVJJMMIPYVJQ-UHFFFAOYSA-N -1 3 367.344 3.102 20 0 FGADHM Cc1noc(CNc2ccc(Oc3ccccc3-c3nn[n-]n3)c(F)c2)n1 ZINC000822528129 599133941 /nfs/dbraw/zinc/13/39/41/599133941.db2.gz UAGVJJMMIPYVJQ-UHFFFAOYSA-N -1 3 367.344 3.102 20 0 FGADHM C[C@@H](CCc1cccc(F)c1)C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820254696 599136148 /nfs/dbraw/zinc/13/61/48/599136148.db2.gz VCMAKIOCVHPWEF-KBPBESRZSA-N -1 3 367.428 3.452 20 0 FGADHM C[C@@H](CCc1cccc(F)c1)C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820254696 599136150 /nfs/dbraw/zinc/13/61/50/599136150.db2.gz VCMAKIOCVHPWEF-KBPBESRZSA-N -1 3 367.428 3.452 20 0 FGADHM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000820938006 599139060 /nfs/dbraw/zinc/13/90/60/599139060.db2.gz GLLACIYEXPJORM-QGTPRVQTSA-N -1 3 371.485 3.199 20 0 FGADHM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000820938006 599139063 /nfs/dbraw/zinc/13/90/63/599139063.db2.gz GLLACIYEXPJORM-QGTPRVQTSA-N -1 3 371.485 3.199 20 0 FGADHM C[C@H]1CN(Cc2ccc(-c3nnn[n-]3)cc2F)C[C@H](c2ccc(F)cc2)O1 ZINC000736288048 599141478 /nfs/dbraw/zinc/14/14/78/599141478.db2.gz QKQFGQVNHNSCMA-KPZWWZAWSA-N -1 3 371.391 3.107 20 0 FGADHM C[C@H]1CN(Cc2ccc(-c3nn[n-]n3)cc2F)C[C@H](c2ccc(F)cc2)O1 ZINC000736288048 599141480 /nfs/dbraw/zinc/14/14/80/599141480.db2.gz QKQFGQVNHNSCMA-KPZWWZAWSA-N -1 3 371.391 3.107 20 0 FGADHM C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736236315 599145560 /nfs/dbraw/zinc/14/55/60/599145560.db2.gz RMHCHJULMMGPGO-TZMCWYRMSA-N -1 3 366.400 3.416 20 0 FGADHM C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736236315 599145562 /nfs/dbraw/zinc/14/55/62/599145562.db2.gz RMHCHJULMMGPGO-TZMCWYRMSA-N -1 3 366.400 3.416 20 0 FGADHM CCCOc1ccc(CCC(=O)N(C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821133826 599147210 /nfs/dbraw/zinc/14/72/10/599147210.db2.gz GCSWPIUCCSDSES-UHFFFAOYSA-N -1 3 365.437 3.251 20 0 FGADHM CCCOc1ccc(CCC(=O)N(C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821133826 599147213 /nfs/dbraw/zinc/14/72/13/599147213.db2.gz GCSWPIUCCSDSES-UHFFFAOYSA-N -1 3 365.437 3.251 20 0 FGADHM Cc1cccnc1[C@@H](NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)C(C)C ZINC000737433261 599148866 /nfs/dbraw/zinc/14/88/66/599148866.db2.gz DOQXZHVGCBGLRC-HNNXBMFYSA-N -1 3 369.404 3.228 20 0 FGADHM Cc1cccnc1[C@@H](NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)C(C)C ZINC000737433261 599148867 /nfs/dbraw/zinc/14/88/67/599148867.db2.gz DOQXZHVGCBGLRC-HNNXBMFYSA-N -1 3 369.404 3.228 20 0 FGADHM COc1ccc(C=C2C(=O)Nc3cc(Cl)ccc32)cc1-c1nnn[n-]1 ZINC000737082584 599151216 /nfs/dbraw/zinc/15/12/16/599151216.db2.gz JGNABLQRSNINJL-SDQBBNPISA-N -1 3 353.769 3.021 20 0 FGADHM COc1ccc(C=C2C(=O)Nc3cc(Cl)ccc32)cc1-c1nn[n-]n1 ZINC000737082584 599151218 /nfs/dbraw/zinc/15/12/18/599151218.db2.gz JGNABLQRSNINJL-SDQBBNPISA-N -1 3 353.769 3.021 20 0 FGADHM Cc1ccccc1-c1cnc(COC(=O)c2cccc(-c3nnn[n-]3)c2)o1 ZINC000737418143 599151601 /nfs/dbraw/zinc/15/16/01/599151601.db2.gz MXWMIORIBUQRIM-UHFFFAOYSA-N -1 3 361.361 3.187 20 0 FGADHM Cc1ccccc1-c1cnc(COC(=O)c2cccc(-c3nn[n-]n3)c2)o1 ZINC000737418143 599151603 /nfs/dbraw/zinc/15/16/03/599151603.db2.gz MXWMIORIBUQRIM-UHFFFAOYSA-N -1 3 361.361 3.187 20 0 FGADHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)C(C)(C)c1cccs1 ZINC000736038551 599155871 /nfs/dbraw/zinc/15/58/71/599155871.db2.gz VUSPCDIPMHLULX-GFCCVEGCSA-N -1 3 372.450 3.217 20 0 FGADHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)C(C)(C)c1cccs1 ZINC000736038551 599155874 /nfs/dbraw/zinc/15/58/74/599155874.db2.gz VUSPCDIPMHLULX-GFCCVEGCSA-N -1 3 372.450 3.217 20 0 FGADHM Cc1ccccc1[C@@H](C)CC(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000737424684 599161464 /nfs/dbraw/zinc/16/14/64/599161464.db2.gz WRXZCDXIDACJFL-ZDUSSCGKSA-N -1 3 353.401 3.471 20 0 FGADHM Cc1ccccc1[C@@H](C)CC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000737424684 599161465 /nfs/dbraw/zinc/16/14/65/599161465.db2.gz WRXZCDXIDACJFL-ZDUSSCGKSA-N -1 3 353.401 3.471 20 0 FGADHM Cc1ccc(N2CCC[C@@H](Sc3ccc(-c4nnn[n-]4)cc3)C2=O)cc1 ZINC000737350323 599163645 /nfs/dbraw/zinc/16/36/45/599163645.db2.gz FFXZHVFPFFHOFC-QGZVFWFLSA-N -1 3 365.462 3.463 20 0 FGADHM Cc1ccc(N2CCC[C@@H](Sc3ccc(-c4nn[n-]n4)cc3)C2=O)cc1 ZINC000737350323 599163648 /nfs/dbraw/zinc/16/36/48/599163648.db2.gz FFXZHVFPFFHOFC-QGZVFWFLSA-N -1 3 365.462 3.463 20 0 FGADHM Cc1cccc(C)c1NC(=O)CSc1ccc(-c2nnn[n-]2)cc1F ZINC000737389553 599169419 /nfs/dbraw/zinc/16/94/19/599169419.db2.gz KHTZVCLWHMBYHI-UHFFFAOYSA-N -1 3 357.414 3.353 20 0 FGADHM Cc1cccc(C)c1NC(=O)CSc1ccc(-c2nn[n-]n2)cc1F ZINC000737389553 599169423 /nfs/dbraw/zinc/16/94/23/599169423.db2.gz KHTZVCLWHMBYHI-UHFFFAOYSA-N -1 3 357.414 3.353 20 0 FGADHM Fc1cc(-c2nnn[n-]2)ccc1SCCCOc1ccc2c(c1)OCO2 ZINC000737644734 599170438 /nfs/dbraw/zinc/17/04/38/599170438.db2.gz LFHOHHCSVPEQCL-UHFFFAOYSA-N -1 3 374.397 3.296 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1SCCCOc1ccc2c(c1)OCO2 ZINC000737644734 599170439 /nfs/dbraw/zinc/17/04/39/599170439.db2.gz LFHOHHCSVPEQCL-UHFFFAOYSA-N -1 3 374.397 3.296 20 0 FGADHM Fc1cccc(N2CCC[C@@H](Nc3c(F)cc(-c4nnn[n-]4)cc3F)C2)c1 ZINC000737661223 599171829 /nfs/dbraw/zinc/17/18/29/599171829.db2.gz NQVCZCSLGITSDP-CYBMUJFWSA-N -1 3 374.370 3.365 20 0 FGADHM Fc1cccc(N2CCC[C@@H](Nc3c(F)cc(-c4nn[n-]n4)cc3F)C2)c1 ZINC000737661223 599171832 /nfs/dbraw/zinc/17/18/32/599171832.db2.gz NQVCZCSLGITSDP-CYBMUJFWSA-N -1 3 374.370 3.365 20 0 FGADHM CC[C@H](C)NC(=O)[C@@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(C)C ZINC000736328427 599173085 /nfs/dbraw/zinc/17/30/85/599173085.db2.gz WXLZGVAHWYNJFB-HZMBPMFUSA-N -1 3 351.451 3.037 20 0 FGADHM CC[C@H](C)NC(=O)[C@@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(C)C ZINC000736328427 599173088 /nfs/dbraw/zinc/17/30/88/599173088.db2.gz WXLZGVAHWYNJFB-HZMBPMFUSA-N -1 3 351.451 3.037 20 0 FGADHM Cc1ccncc1C(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@@H](C)C2 ZINC000737442685 599178162 /nfs/dbraw/zinc/17/81/62/599178162.db2.gz GEHSLLWZTHIMOP-SECBINFHSA-N -1 3 354.439 3.009 20 0 FGADHM Cc1ccncc1C(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@@H](C)C2 ZINC000737442685 599178164 /nfs/dbraw/zinc/17/81/64/599178164.db2.gz GEHSLLWZTHIMOP-SECBINFHSA-N -1 3 354.439 3.009 20 0 FGADHM Cc1ccc2[nH]c(C(=O)NCc3cc(-c4nnn[n-]4)ccc3F)cc2c1C ZINC000822271227 599179132 /nfs/dbraw/zinc/17/91/32/599179132.db2.gz RRESIZADSLTANR-UHFFFAOYSA-N -1 3 364.384 3.034 20 0 FGADHM Cc1ccc2[nH]c(C(=O)NCc3cc(-c4nn[n-]n4)ccc3F)cc2c1C ZINC000822271227 599179136 /nfs/dbraw/zinc/17/91/36/599179136.db2.gz RRESIZADSLTANR-UHFFFAOYSA-N -1 3 364.384 3.034 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@@H](C)c1cccc(F)c1 ZINC000736629651 599179811 /nfs/dbraw/zinc/17/98/11/599179811.db2.gz YVHDUBBDFPKOSV-NSHDSACASA-N -1 3 356.357 3.114 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@@H](C)c1cccc(F)c1 ZINC000736629651 599179814 /nfs/dbraw/zinc/17/98/14/599179814.db2.gz YVHDUBBDFPKOSV-NSHDSACASA-N -1 3 356.357 3.114 20 0 FGADHM CC(C)CN(C(=O)c1cc(C(C)(C)C)on1)c1ccc(-c2nnn[n-]2)cc1 ZINC000735817856 599183956 /nfs/dbraw/zinc/18/39/56/599183956.db2.gz FXLYYJUPAUOILD-UHFFFAOYSA-N -1 3 368.441 3.455 20 0 FGADHM CC(C)CN(C(=O)c1cc(C(C)(C)C)on1)c1ccc(-c2nn[n-]n2)cc1 ZINC000735817856 599183958 /nfs/dbraw/zinc/18/39/58/599183958.db2.gz FXLYYJUPAUOILD-UHFFFAOYSA-N -1 3 368.441 3.455 20 0 FGADHM CC(=CC(=O)NCc1cc(-c2nnn[n-]2)ccc1F)c1ccccc1Cl ZINC000819765744 599182317 /nfs/dbraw/zinc/18/23/17/599182317.db2.gz QXAJRJCABWQNHE-FLIBITNWSA-N -1 3 371.803 3.379 20 0 FGADHM CC(=CC(=O)NCc1cc(-c2nn[n-]n2)ccc1F)c1ccccc1Cl ZINC000819765744 599182319 /nfs/dbraw/zinc/18/23/19/599182319.db2.gz QXAJRJCABWQNHE-FLIBITNWSA-N -1 3 371.803 3.379 20 0 FGADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc(-c2ccccc2)n1C ZINC000736821386 599182673 /nfs/dbraw/zinc/18/26/73/599182673.db2.gz FDOMSUTVCBVIIW-UHFFFAOYSA-N -1 3 372.432 3.144 20 0 FGADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc(-c2ccccc2)n1C ZINC000736821386 599182676 /nfs/dbraw/zinc/18/26/76/599182676.db2.gz FDOMSUTVCBVIIW-UHFFFAOYSA-N -1 3 372.432 3.144 20 0 FGADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cc2cccc(F)c2o1 ZINC000736817562 599182831 /nfs/dbraw/zinc/18/28/31/599182831.db2.gz DGVHIOIRWSTCQW-UHFFFAOYSA-N -1 3 351.341 3.024 20 0 FGADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cc2cccc(F)c2o1 ZINC000736817562 599182834 /nfs/dbraw/zinc/18/28/34/599182834.db2.gz DGVHIOIRWSTCQW-UHFFFAOYSA-N -1 3 351.341 3.024 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@@H]1c1ccco1 ZINC000736638203 599188505 /nfs/dbraw/zinc/18/85/05/599188505.db2.gz XTIQRUGKZUVBCP-CQSZACIVSA-N -1 3 368.397 3.227 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@@H]1c1ccco1 ZINC000736638203 599188506 /nfs/dbraw/zinc/18/85/06/599188506.db2.gz XTIQRUGKZUVBCP-CQSZACIVSA-N -1 3 368.397 3.227 20 0 FGADHM CCc1c(C)sc(NC(=O)c2ccc(OC)cc2C)c1-c1nnn[n-]1 ZINC000736675208 599186499 /nfs/dbraw/zinc/18/64/99/599186499.db2.gz GJUCKQANOQTGDL-UHFFFAOYSA-N -1 3 357.439 3.368 20 0 FGADHM CCc1c(C)sc(NC(=O)c2ccc(OC)cc2C)c1-c1nn[n-]n1 ZINC000736675208 599186501 /nfs/dbraw/zinc/18/65/01/599186501.db2.gz GJUCKQANOQTGDL-UHFFFAOYSA-N -1 3 357.439 3.368 20 0 FGADHM Cc1ccccc1[C@H](C)CC(=O)OCCOc1ccccc1-c1nnn[n-]1 ZINC000737424822 599186648 /nfs/dbraw/zinc/18/66/48/599186648.db2.gz XTJBBWULEXMINQ-OAHLLOKOSA-N -1 3 366.421 3.291 20 0 FGADHM Cc1ccccc1[C@H](C)CC(=O)OCCOc1ccccc1-c1nn[n-]n1 ZINC000737424822 599186650 /nfs/dbraw/zinc/18/66/50/599186650.db2.gz XTJBBWULEXMINQ-OAHLLOKOSA-N -1 3 366.421 3.291 20 0 FGADHM CC(C)NC(=O)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000735887561 599196063 /nfs/dbraw/zinc/19/60/63/599196063.db2.gz CRUWXVVCLKDDEX-UHFFFAOYSA-N -1 3 357.801 3.451 20 0 FGADHM C[C@@H]1C[C@@H]1NC(=O)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000736234879 599199394 /nfs/dbraw/zinc/19/93/94/599199394.db2.gz CLZSXLSKYRWPQC-YGRLFVJLSA-N -1 3 369.812 3.451 20 0 FGADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCC2(CCCC2)C1 ZINC000820033543 599206243 /nfs/dbraw/zinc/20/62/43/599206243.db2.gz WLRICIBYUZBXGP-KRWDZBQOSA-N -1 3 369.469 3.063 20 0 FGADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCC2(CCCC2)C1 ZINC000820033543 599206246 /nfs/dbraw/zinc/20/62/46/599206246.db2.gz WLRICIBYUZBXGP-KRWDZBQOSA-N -1 3 369.469 3.063 20 0 FGADHM Cc1cccc([C@H]2CCCCN2C(=O)c2ccc(-c3nnn[n-]3)cn2)c1C ZINC000822299492 599202504 /nfs/dbraw/zinc/20/25/04/599202504.db2.gz KRGDRQLKHYNPJH-GOSISDBHSA-N -1 3 362.437 3.246 20 0 FGADHM Cc1cccc([C@H]2CCCCN2C(=O)c2ccc(-c3nn[n-]n3)cn2)c1C ZINC000822299492 599202505 /nfs/dbraw/zinc/20/25/05/599202505.db2.gz KRGDRQLKHYNPJH-GOSISDBHSA-N -1 3 362.437 3.246 20 0 FGADHM COCCN(C(=O)[C@H](C)CC1CCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736989170 599206764 /nfs/dbraw/zinc/20/67/64/599206764.db2.gz RUDVPRIDXPQEID-CQSZACIVSA-N -1 3 357.458 3.063 20 0 FGADHM COCCN(C(=O)[C@H](C)CC1CCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736989170 599206765 /nfs/dbraw/zinc/20/67/65/599206765.db2.gz RUDVPRIDXPQEID-CQSZACIVSA-N -1 3 357.458 3.063 20 0 FGADHM Cc1cc(NC(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)ncn1 ZINC000737275482 599207434 /nfs/dbraw/zinc/20/74/34/599207434.db2.gz WOMPYTRZILVDIR-UHFFFAOYSA-N -1 3 373.376 3.010 20 0 FGADHM O=C(Nc1ccc(F)c(Br)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823337220 599210762 /nfs/dbraw/zinc/21/07/62/599210762.db2.gz IHAYIMDPGUICCR-UHFFFAOYSA-N -1 3 362.162 3.021 20 0 FGADHM O=C(Nc1ccc(F)c(Br)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823337220 599210765 /nfs/dbraw/zinc/21/07/65/599210765.db2.gz IHAYIMDPGUICCR-UHFFFAOYSA-N -1 3 362.162 3.021 20 0 FGADHM COC(=O)c1ccc2nc(SCc3cccc(-c4nnn[n-]4)c3)oc2c1 ZINC000736948206 599222808 /nfs/dbraw/zinc/22/28/08/599222808.db2.gz LXLNOILMXTXRII-UHFFFAOYSA-N -1 3 367.390 3.087 20 0 FGADHM COC(=O)c1ccc2nc(SCc3cccc(-c4nn[n-]n4)c3)oc2c1 ZINC000736948206 599222811 /nfs/dbraw/zinc/22/28/11/599222811.db2.gz LXLNOILMXTXRII-UHFFFAOYSA-N -1 3 367.390 3.087 20 0 FGADHM O=C(c1ccc(-c2nnn[n-]2)cc1)N1CCC(OCC2CCCCC2)CC1 ZINC000738255070 599230499 /nfs/dbraw/zinc/23/04/99/599230499.db2.gz RDJSCAXILPZILX-UHFFFAOYSA-N -1 3 369.469 3.068 20 0 FGADHM O=C(c1ccc(-c2nn[n-]n2)cc1)N1CCC(OCC2CCCCC2)CC1 ZINC000738255070 599230501 /nfs/dbraw/zinc/23/05/01/599230501.db2.gz RDJSCAXILPZILX-UHFFFAOYSA-N -1 3 369.469 3.068 20 0 FGADHM Cc1cc(OC(=O)c2ncc(-c3nnn[n-]3)cc2Cl)cc(C)c1Cl ZINC000822210891 607263173 /nfs/dbraw/zinc/26/31/73/607263173.db2.gz VIEXQSVNTNDLIT-UHFFFAOYSA-N -1 3 364.192 3.405 20 0 FGADHM Cc1cc(OC(=O)c2ncc(-c3nn[n-]n3)cc2Cl)cc(C)c1Cl ZINC000822210891 607263174 /nfs/dbraw/zinc/26/31/74/607263174.db2.gz VIEXQSVNTNDLIT-UHFFFAOYSA-N -1 3 364.192 3.405 20 0 FGADHM Cc1cccc([C@H](C)SCC(=O)NCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822288805 599226875 /nfs/dbraw/zinc/22/68/75/599226875.db2.gz JWROKVFKCKVSHB-AWEZNQCLSA-N -1 3 367.478 3.286 20 0 FGADHM Cc1cccc([C@H](C)SCC(=O)NCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822288805 599226878 /nfs/dbraw/zinc/22/68/78/599226878.db2.gz JWROKVFKCKVSHB-AWEZNQCLSA-N -1 3 367.478 3.286 20 0 FGADHM CC1CCC(N(C[C@@H]2CCCO2)C(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736240246 599228152 /nfs/dbraw/zinc/22/81/52/599228152.db2.gz KWIQPPZSVPSXSP-UYJHFMRCSA-N -1 3 369.469 3.067 20 0 FGADHM CC1CCC(N(C[C@@H]2CCCO2)C(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736240246 599228154 /nfs/dbraw/zinc/22/81/54/599228154.db2.gz KWIQPPZSVPSXSP-UYJHFMRCSA-N -1 3 369.469 3.067 20 0 FGADHM CCOc1ccc(NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821422051 599235851 /nfs/dbraw/zinc/23/58/51/599235851.db2.gz KYKSUPWGSIQWRQ-LBPRGKRZSA-N -1 3 352.398 3.148 20 0 FGADHM CCOc1ccc(NC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821422051 599235853 /nfs/dbraw/zinc/23/58/53/599235853.db2.gz KYKSUPWGSIQWRQ-LBPRGKRZSA-N -1 3 352.398 3.148 20 0 FGADHM C[C@@H]1CC[C@H](C)N(C(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000820686147 599238697 /nfs/dbraw/zinc/23/86/97/599238697.db2.gz XMIHGIRMNDSWSG-ZJUUUORDSA-N -1 3 350.879 3.337 20 0 FGADHM C[C@@H]1CC[C@H](C)N(C(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000820686147 599238699 /nfs/dbraw/zinc/23/86/99/599238699.db2.gz XMIHGIRMNDSWSG-ZJUUUORDSA-N -1 3 350.879 3.337 20 0 FGADHM Cc1c(NC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)cccc1-c1nnn[n-]1 ZINC000822061544 607268024 /nfs/dbraw/zinc/26/80/24/607268024.db2.gz PTZIFQHOYZEGBI-MNOVXSKESA-N -1 3 353.348 3.482 20 0 FGADHM Cc1c(NC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)cccc1-c1nn[n-]n1 ZINC000822061544 607268025 /nfs/dbraw/zinc/26/80/25/607268025.db2.gz PTZIFQHOYZEGBI-MNOVXSKESA-N -1 3 353.348 3.482 20 0 FGADHM Cc1ccc(NC(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC000822248718 599239363 /nfs/dbraw/zinc/23/93/63/599239363.db2.gz KKQNODPWGAFRDR-UHFFFAOYSA-N -1 3 372.816 3.029 20 0 FGADHM CCc1nc(C)c([C@@H](C)N(C)C(=O)Nc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000821504205 599241405 /nfs/dbraw/zinc/24/14/05/599241405.db2.gz DCSBGGXWLLBWHC-LLVKDONJSA-N -1 3 371.470 3.419 20 0 FGADHM CCc1nc(C)c([C@@H](C)N(C)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000821504205 599241407 /nfs/dbraw/zinc/24/14/07/599241407.db2.gz DCSBGGXWLLBWHC-LLVKDONJSA-N -1 3 371.470 3.419 20 0 FGADHM Cc1c(Cl)cccc1OCC(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000822035321 607268895 /nfs/dbraw/zinc/26/88/95/607268895.db2.gz SMHDTYAOJTWNQW-UHFFFAOYSA-N -1 3 357.801 3.154 20 0 FGADHM Cc1c(Cl)cccc1OCC(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000822035321 607268896 /nfs/dbraw/zinc/26/88/96/607268896.db2.gz SMHDTYAOJTWNQW-UHFFFAOYSA-N -1 3 357.801 3.154 20 0 FGADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCC(C(C)C)CC1 ZINC000735752206 599246700 /nfs/dbraw/zinc/24/67/00/599246700.db2.gz YWLAGXNJLPGHOA-SFHVURJKSA-N -1 3 371.485 3.165 20 0 FGADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCC(C(C)C)CC1 ZINC000735752206 599246702 /nfs/dbraw/zinc/24/67/02/599246702.db2.gz YWLAGXNJLPGHOA-SFHVURJKSA-N -1 3 371.485 3.165 20 0 FGADHM O=C([O-])Cc1cccc(NC(=O)NC[C@@H](c2ccccc2)N2CCCC2)c1 ZINC000738625875 597203496 /nfs/dbraw/zinc/20/34/96/597203496.db2.gz NWBGCMJRNGDIAZ-IBGZPJMESA-N -1 3 367.449 3.272 20 0 FGADHM Cc1c(NC(=O)N(C)CCc2ccccc2F)cccc1-c1nnn[n-]1 ZINC000822077783 607280756 /nfs/dbraw/zinc/28/07/56/607280756.db2.gz XQKIRPAEOIVUNQ-UHFFFAOYSA-N -1 3 354.389 3.021 20 0 FGADHM Cc1c(NC(=O)N(C)CCc2ccccc2F)cccc1-c1nn[n-]n1 ZINC000822077783 607280757 /nfs/dbraw/zinc/28/07/57/607280757.db2.gz XQKIRPAEOIVUNQ-UHFFFAOYSA-N -1 3 354.389 3.021 20 0 FGADHM Cc1c(NC(=O)NCCOC2CCCCCC2)cccc1-c1nnn[n-]1 ZINC000822095549 607280942 /nfs/dbraw/zinc/28/09/42/607280942.db2.gz DTLFKGFKUXLYIE-UHFFFAOYSA-N -1 3 358.446 3.036 20 0 FGADHM Cc1c(NC(=O)NCCOC2CCCCCC2)cccc1-c1nn[n-]n1 ZINC000822095549 607280943 /nfs/dbraw/zinc/28/09/43/607280943.db2.gz DTLFKGFKUXLYIE-UHFFFAOYSA-N -1 3 358.446 3.036 20 0 FGADHM CCOc1cccc([C@H](C)NC(=O)Nc2cccc(-c3nnn[n-]3)c2C)c1 ZINC000821427278 607281155 /nfs/dbraw/zinc/28/11/55/607281155.db2.gz QLPLBPUFYGKVGN-ZDUSSCGKSA-N -1 3 366.425 3.457 20 0 FGADHM CCOc1cccc([C@H](C)NC(=O)Nc2cccc(-c3nn[n-]n3)c2C)c1 ZINC000821427278 607281156 /nfs/dbraw/zinc/28/11/56/607281156.db2.gz QLPLBPUFYGKVGN-ZDUSSCGKSA-N -1 3 366.425 3.457 20 0 FGADHM Cc1c(NC(=O)N[C@@H](C)c2ccc(F)c(F)c2)cccc1-c1nnn[n-]1 ZINC000822090150 607281470 /nfs/dbraw/zinc/28/14/70/607281470.db2.gz IYNMYRUVHJUQMW-JTQLQIEISA-N -1 3 358.352 3.336 20 0 FGADHM Cc1c(NC(=O)N[C@@H](C)c2ccc(F)c(F)c2)cccc1-c1nn[n-]n1 ZINC000822090150 607281471 /nfs/dbraw/zinc/28/14/71/607281471.db2.gz IYNMYRUVHJUQMW-JTQLQIEISA-N -1 3 358.352 3.336 20 0 FGADHM Cc1c(NC(=O)N[C@H](C)c2ccc(F)c(F)c2)cccc1-c1nnn[n-]1 ZINC000822090153 607281615 /nfs/dbraw/zinc/28/16/15/607281615.db2.gz IYNMYRUVHJUQMW-SNVBAGLBSA-N -1 3 358.352 3.336 20 0 FGADHM Cc1c(NC(=O)N[C@H](C)c2ccc(F)c(F)c2)cccc1-c1nn[n-]n1 ZINC000822090153 607281616 /nfs/dbraw/zinc/28/16/16/607281616.db2.gz IYNMYRUVHJUQMW-SNVBAGLBSA-N -1 3 358.352 3.336 20 0 FGADHM Cc1c(NC(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)cccc1-c1nnn[n-]1 ZINC000822090104 607284351 /nfs/dbraw/zinc/28/43/51/607284351.db2.gz IRAPYBVVJBHHPC-MNOVXSKESA-N -1 3 368.363 3.418 20 0 FGADHM Cc1c(NC(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)cccc1-c1nn[n-]n1 ZINC000822090104 607284352 /nfs/dbraw/zinc/28/43/52/607284352.db2.gz IRAPYBVVJBHHPC-MNOVXSKESA-N -1 3 368.363 3.418 20 0 FGADHM Cc1nc(C)c([C@@H](C)N(C)C(=O)Nc2cccc(-c3nnn[n-]3)c2C)s1 ZINC000822427204 607285140 /nfs/dbraw/zinc/28/51/40/607285140.db2.gz FFQKPHMSNBZCCV-LLVKDONJSA-N -1 3 371.470 3.473 20 0 FGADHM Cc1nc(C)c([C@@H](C)N(C)C(=O)Nc2cccc(-c3nn[n-]n3)c2C)s1 ZINC000822427204 607285141 /nfs/dbraw/zinc/28/51/41/607285141.db2.gz FFQKPHMSNBZCCV-LLVKDONJSA-N -1 3 371.470 3.473 20 0 FGADHM Cc1c(NC(=O)NC[C@H](c2cccnc2)C(C)C)cccc1-c1nnn[n-]1 ZINC000822097384 607286078 /nfs/dbraw/zinc/28/60/78/607286078.db2.gz XRXDBTUUEPXIFD-INIZCTEOSA-N -1 3 365.441 3.131 20 0 FGADHM Cc1c(NC(=O)NC[C@H](c2cccnc2)C(C)C)cccc1-c1nn[n-]n1 ZINC000822097384 607286079 /nfs/dbraw/zinc/28/60/79/607286079.db2.gz XRXDBTUUEPXIFD-INIZCTEOSA-N -1 3 365.441 3.131 20 0 FGADHM Cc1c(NC(=O)N2CCSC3(CCCCC3)C2)cccc1-c1nnn[n-]1 ZINC000822088889 607289913 /nfs/dbraw/zinc/28/99/13/607289913.db2.gz BAEKTNVPKMUMAN-UHFFFAOYSA-N -1 3 372.498 3.459 20 0 FGADHM Cc1c(NC(=O)N2CCSC3(CCCCC3)C2)cccc1-c1nn[n-]n1 ZINC000822088889 607289914 /nfs/dbraw/zinc/28/99/14/607289914.db2.gz BAEKTNVPKMUMAN-UHFFFAOYSA-N -1 3 372.498 3.459 20 0 FGADHM Cc1c(NC(=O)N[C@@H](C)[C@@H](C)c2ccccc2)cccc1-c1nnn[n-]1 ZINC000822091832 607293384 /nfs/dbraw/zinc/29/33/84/607293384.db2.gz SUZPQQMSILNCFY-OCCSQVGLSA-N -1 3 350.426 3.489 20 0 FGADHM Cc1c(NC(=O)N[C@@H](C)[C@@H](C)c2ccccc2)cccc1-c1nn[n-]n1 ZINC000822091832 607293385 /nfs/dbraw/zinc/29/33/85/607293385.db2.gz SUZPQQMSILNCFY-OCCSQVGLSA-N -1 3 350.426 3.489 20 0 FGADHM COc1ccc(CNc2ccc(OC(F)(F)F)cc2)cc1-c1nnn[n-]1 ZINC000821821584 607307882 /nfs/dbraw/zinc/30/78/82/607307882.db2.gz MEULUUYDTXQUDE-UHFFFAOYSA-N -1 3 365.315 3.386 20 0 FGADHM COc1ccc(CNc2ccc(OC(F)(F)F)cc2)cc1-c1nn[n-]n1 ZINC000821821584 607307883 /nfs/dbraw/zinc/30/78/83/607307883.db2.gz MEULUUYDTXQUDE-UHFFFAOYSA-N -1 3 365.315 3.386 20 0 FGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N([C@H](C)C1CC1)C1CC1 ZINC000820151082 599263981 /nfs/dbraw/zinc/26/39/81/599263981.db2.gz CJHIAGXVMXFKBK-GFCCVEGCSA-N -1 3 370.457 3.449 20 0 FGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N([C@H](C)C1CC1)C1CC1 ZINC000820151082 599263983 /nfs/dbraw/zinc/26/39/83/599263983.db2.gz CJHIAGXVMXFKBK-GFCCVEGCSA-N -1 3 370.457 3.449 20 0 FGADHM Cc1cc(F)cc(NC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822203528 607308492 /nfs/dbraw/zinc/30/84/92/607308492.db2.gz YCFTYJZXXMJFHU-UHFFFAOYSA-N -1 3 357.414 3.186 20 0 FGADHM Cc1cc(F)cc(NC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822203528 607308493 /nfs/dbraw/zinc/30/84/93/607308493.db2.gz YCFTYJZXXMJFHU-UHFFFAOYSA-N -1 3 357.414 3.186 20 0 FGADHM CCOc1ccc(NCc2cnc3ccc(-c4nnn[n-]4)cn23)cc1Cl ZINC000821422079 607309137 /nfs/dbraw/zinc/30/91/37/607309137.db2.gz MFZJSIIKKLXTQC-UHFFFAOYSA-N -1 3 369.816 3.179 20 0 FGADHM CCOc1ccc(NCc2cnc3ccc(-c4nn[n-]n4)cn23)cc1Cl ZINC000821422079 607309138 /nfs/dbraw/zinc/30/91/38/607309138.db2.gz MFZJSIIKKLXTQC-UHFFFAOYSA-N -1 3 369.816 3.179 20 0 FGADHM CSc1cc2c(cc1NCc1cc(-c3nnn[n-]3)cs1)OCCO2 ZINC000821979531 607316210 /nfs/dbraw/zinc/31/62/10/607316210.db2.gz SVCZXQQSJJFZLE-UHFFFAOYSA-N -1 3 361.452 3.033 20 0 FGADHM CSc1cc2c(cc1NCc1cc(-c3nn[n-]n3)cs1)OCCO2 ZINC000821979531 607316211 /nfs/dbraw/zinc/31/62/11/607316211.db2.gz SVCZXQQSJJFZLE-UHFFFAOYSA-N -1 3 361.452 3.033 20 0 FGADHM CCSc1cccc(NCc2cnc3ccc(-c4nnn[n-]4)cn23)c1 ZINC000821462278 607316875 /nfs/dbraw/zinc/31/68/75/607316875.db2.gz YBNGHULRAZVECF-UHFFFAOYSA-N -1 3 351.439 3.239 20 0 FGADHM CCSc1cccc(NCc2cnc3ccc(-c4nn[n-]n4)cn23)c1 ZINC000821462278 607316876 /nfs/dbraw/zinc/31/68/76/607316876.db2.gz YBNGHULRAZVECF-UHFFFAOYSA-N -1 3 351.439 3.239 20 0 FGADHM CCCCCC[C@@H](C)CC(=O)Nc1nc2n(c1-c1nnn[n-]1)CCS2 ZINC000736444655 599296481 /nfs/dbraw/zinc/29/64/81/599296481.db2.gz IBFDPCCNCVROBR-LLVKDONJSA-N -1 3 363.491 3.104 20 0 FGADHM CCCCCC[C@@H](C)CC(=O)Nc1nc2n(c1-c1nn[n-]n1)CCS2 ZINC000736444655 599296485 /nfs/dbraw/zinc/29/64/85/599296485.db2.gz IBFDPCCNCVROBR-LLVKDONJSA-N -1 3 363.491 3.104 20 0 FGADHM Cc1cc(NCc2ccc(-c3nnn[n-]3)s2)ccc1OC1CCOCC1 ZINC000822209303 607317910 /nfs/dbraw/zinc/31/79/10/607317910.db2.gz BVPAMNATWMCZNM-UHFFFAOYSA-N -1 3 371.466 3.407 20 0 FGADHM C[C@H](NC(=O)Nc1ccc2scnc2c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820379425 599273441 /nfs/dbraw/zinc/27/34/41/599273441.db2.gz CKDGJEBLOWFXLP-JTQLQIEISA-N -1 3 365.422 3.359 20 0 FGADHM C[C@H](NC(=O)Nc1ccc2scnc2c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820379425 599273443 /nfs/dbraw/zinc/27/34/43/599273443.db2.gz CKDGJEBLOWFXLP-JTQLQIEISA-N -1 3 365.422 3.359 20 0 FGADHM Cc1cc(NCc2cc(-c3nnn[n-]3)cs2)ccc1OC1CCOCC1 ZINC000822209266 607317734 /nfs/dbraw/zinc/31/77/34/607317734.db2.gz AGZGYYRLXBQQHQ-UHFFFAOYSA-N -1 3 371.466 3.407 20 0 FGADHM Cc1cc(NCc2cc(-c3nn[n-]n3)cs2)ccc1OC1CCOCC1 ZINC000822209266 607317735 /nfs/dbraw/zinc/31/77/35/607317735.db2.gz AGZGYYRLXBQQHQ-UHFFFAOYSA-N -1 3 371.466 3.407 20 0 FGADHM CCC(CC)(CNC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)SC ZINC000820887835 599278957 /nfs/dbraw/zinc/27/89/57/599278957.db2.gz UBTZRIGQAWTATI-UHFFFAOYSA-N -1 3 352.439 3.049 20 0 FGADHM CCC(CC)(CNC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)SC ZINC000820887835 599278960 /nfs/dbraw/zinc/27/89/60/599278960.db2.gz UBTZRIGQAWTATI-UHFFFAOYSA-N -1 3 352.439 3.049 20 0 FGADHM O=C(C[C@@H]1CCOc2ccccc21)OCc1cc(-c2nnn[n-]2)ccc1F ZINC000737821547 599279163 /nfs/dbraw/zinc/27/91/63/599279163.db2.gz VTIHFGJRXNYXNV-LBPRGKRZSA-N -1 3 368.368 3.005 20 0 FGADHM O=C(C[C@@H]1CCOc2ccccc21)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000737821547 599279165 /nfs/dbraw/zinc/27/91/65/599279165.db2.gz VTIHFGJRXNYXNV-LBPRGKRZSA-N -1 3 368.368 3.005 20 0 FGADHM Cc1csc([C@@H](NC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C2CC2)n1 ZINC000822408893 599279597 /nfs/dbraw/zinc/27/95/97/599279597.db2.gz IFSUTSXFVCHVAK-ZDUSSCGKSA-N -1 3 373.417 3.044 20 0 FGADHM Cc1csc([C@@H](NC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C2CC2)n1 ZINC000822408893 599279599 /nfs/dbraw/zinc/27/95/99/599279599.db2.gz IFSUTSXFVCHVAK-ZDUSSCGKSA-N -1 3 373.417 3.044 20 0 FGADHM O=C(C[C@@H]1CCOc2ccccc21)OCc1ccc(-c2nnn[n-]2)cc1F ZINC000737819735 599279717 /nfs/dbraw/zinc/27/97/17/599279717.db2.gz OVGPFOIBVBJYSJ-LBPRGKRZSA-N -1 3 368.368 3.005 20 0 FGADHM O=C(C[C@@H]1CCOc2ccccc21)OCc1ccc(-c2nn[n-]n2)cc1F ZINC000737819735 599279720 /nfs/dbraw/zinc/27/97/20/599279720.db2.gz OVGPFOIBVBJYSJ-LBPRGKRZSA-N -1 3 368.368 3.005 20 0 FGADHM CC[C@H](C)CN(C)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820868558 599288945 /nfs/dbraw/zinc/28/89/45/599288945.db2.gz AFMHKUVRPSCWRW-VIFPVBQESA-N -1 3 356.352 3.395 20 0 FGADHM CC[C@H](C)CN(C)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820868558 599288947 /nfs/dbraw/zinc/28/89/47/599288947.db2.gz AFMHKUVRPSCWRW-VIFPVBQESA-N -1 3 356.352 3.395 20 0 FGADHM CCC(CC)CNC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820892886 599289252 /nfs/dbraw/zinc/28/92/52/599289252.db2.gz GOSCJCRHDWJESO-UHFFFAOYSA-N -1 3 356.352 3.443 20 0 FGADHM CCC(CC)CNC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820892886 599289253 /nfs/dbraw/zinc/28/92/53/599289253.db2.gz GOSCJCRHDWJESO-UHFFFAOYSA-N -1 3 356.352 3.443 20 0 FGADHM C[C@H](Sc1nccn1Cc1ccccn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736190522 599289658 /nfs/dbraw/zinc/28/96/58/599289658.db2.gz GACJONBOYFFVSK-ZDUSSCGKSA-N -1 3 363.450 3.360 20 0 FGADHM C[C@H](Sc1nccn1Cc1ccccn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736190522 599289660 /nfs/dbraw/zinc/28/96/60/599289660.db2.gz GACJONBOYFFVSK-ZDUSSCGKSA-N -1 3 363.450 3.360 20 0 FGADHM C[C@H](NC(=O)c1ccccc1OC1CCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736121552 599291073 /nfs/dbraw/zinc/29/10/73/599291073.db2.gz DCNQNQVCAHTPMA-ZDUSSCGKSA-N -1 3 363.421 3.289 20 0 FGADHM C[C@H](NC(=O)c1ccccc1OC1CCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736121552 599291078 /nfs/dbraw/zinc/29/10/78/599291078.db2.gz DCNQNQVCAHTPMA-ZDUSSCGKSA-N -1 3 363.421 3.289 20 0 FGADHM Clc1cc(NCCc2nnc(-c3ccccc3)o2)ccc1-c1nnn[n-]1 ZINC000822567708 607327544 /nfs/dbraw/zinc/32/75/44/607327544.db2.gz FQQLJCCTOJLFOP-UHFFFAOYSA-N -1 3 367.800 3.225 20 0 FGADHM Clc1cc(NCCc2nnc(-c3ccccc3)o2)ccc1-c1nn[n-]n1 ZINC000822567708 607327545 /nfs/dbraw/zinc/32/75/45/607327545.db2.gz FQQLJCCTOJLFOP-UHFFFAOYSA-N -1 3 367.800 3.225 20 0 FGADHM Clc1cccc(-c2nnn[n-]2)c1N[C@H]1CCOC2(CCSCC2)C1 ZINC000822581104 607331448 /nfs/dbraw/zinc/33/14/48/607331448.db2.gz AWCYKIHYHDFMCW-NSHDSACASA-N -1 3 365.890 3.377 20 0 FGADHM Clc1cccc(-c2nn[n-]n2)c1N[C@H]1CCOC2(CCSCC2)C1 ZINC000822581104 607331449 /nfs/dbraw/zinc/33/14/49/607331449.db2.gz AWCYKIHYHDFMCW-NSHDSACASA-N -1 3 365.890 3.377 20 0 FGADHM Fc1cc(-c2nnn[n-]2)cc(F)c1N[C@H]1CCOC2(CCSCC2)C1 ZINC000822737085 607331473 /nfs/dbraw/zinc/33/14/73/607331473.db2.gz PNLISRPBQWCXRL-NSHDSACASA-N -1 3 367.425 3.002 20 0 FGADHM Fc1cc(-c2nn[n-]n2)cc(F)c1N[C@H]1CCOC2(CCSCC2)C1 ZINC000822737085 607331474 /nfs/dbraw/zinc/33/14/74/607331474.db2.gz PNLISRPBQWCXRL-NSHDSACASA-N -1 3 367.425 3.002 20 0 FGADHM CC[C@@H]1Oc2cc([C@H](C)NCc3ccc(C(=O)[O-])cc3)ccc2NC1=O ZINC000263376291 598180304 /nfs/dbraw/zinc/18/03/04/598180304.db2.gz AQBFPBGSRBUWAF-SJCJKPOMSA-N -1 3 354.406 3.345 20 0 FGADHM CCO[C@@H](C)C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736615221 598231988 /nfs/dbraw/zinc/23/19/88/598231988.db2.gz JRLZORRHUDDCFC-LBPRGKRZSA-N -1 3 353.382 3.023 20 0 FGADHM CCO[C@@H](C)C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736615221 598231990 /nfs/dbraw/zinc/23/19/90/598231990.db2.gz JRLZORRHUDDCFC-LBPRGKRZSA-N -1 3 353.382 3.023 20 0 FGADHM CC[C@@H](CC(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1)C(C)C ZINC000736332951 598237949 /nfs/dbraw/zinc/23/79/49/598237949.db2.gz OUUSPNJKLPHIRO-HNNXBMFYSA-N -1 3 371.485 3.309 20 0 FGADHM CC[C@@H](CC(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1)C(C)C ZINC000736332951 598237951 /nfs/dbraw/zinc/23/79/51/598237951.db2.gz OUUSPNJKLPHIRO-HNNXBMFYSA-N -1 3 371.485 3.309 20 0 FGADHM COc1cc([C@@H](C)Nc2ccc(-c3nn[n-]n3)cc2F)cc(OC)c1OC ZINC000737039745 598238325 /nfs/dbraw/zinc/23/83/25/598238325.db2.gz BTYIYYVCCNDLST-SNVBAGLBSA-N -1 3 373.388 3.205 20 0 FGADHM CCCC(=O)Nc1ccc(CNc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000736417489 598239463 /nfs/dbraw/zinc/23/94/63/598239463.db2.gz TWRSQNSTVMVAJG-UHFFFAOYSA-N -1 3 354.389 3.357 20 0 FGADHM CC[C@H](C)[C@@H](C)N(C(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1)C1CC1 ZINC000736328234 598240716 /nfs/dbraw/zinc/24/07/16/598240716.db2.gz GQURTMOLGSEZEF-BFHYXJOUSA-N -1 3 357.458 3.060 20 0 FGADHM CC[C@H](C)[C@@H](C)N(C(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1)C1CC1 ZINC000736328234 598240717 /nfs/dbraw/zinc/24/07/17/598240717.db2.gz GQURTMOLGSEZEF-BFHYXJOUSA-N -1 3 357.458 3.060 20 0 FGADHM Fc1cccc(CN2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)c1F ZINC000737659221 598249604 /nfs/dbraw/zinc/24/96/04/598249604.db2.gz BCLLLIVGIUJMDR-UHFFFAOYSA-N -1 3 371.391 3.188 20 0 FGADHM Fc1cccc(CN2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)c1F ZINC000737659221 598249606 /nfs/dbraw/zinc/24/96/06/598249606.db2.gz BCLLLIVGIUJMDR-UHFFFAOYSA-N -1 3 371.391 3.188 20 0 FGADHM C[C@@H](c1ccc(F)c(F)c1)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000736198458 598251362 /nfs/dbraw/zinc/25/13/62/598251362.db2.gz IXTKGVGPKCFNMQ-ZDUSSCGKSA-N -1 3 370.407 3.028 20 0 FGADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H]1CCC[C@H]1C ZINC000735830488 598256534 /nfs/dbraw/zinc/25/65/34/598256534.db2.gz GYMLRWWZGSGIKQ-RHSMWYFYSA-N -1 3 356.474 3.223 20 0 FGADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1CCC[C@H]1C ZINC000735830488 598256535 /nfs/dbraw/zinc/25/65/35/598256535.db2.gz GYMLRWWZGSGIKQ-RHSMWYFYSA-N -1 3 356.474 3.223 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)NC1(C)CCC(C)CC1 ZINC000736637520 598263983 /nfs/dbraw/zinc/26/39/83/598263983.db2.gz RBIWOPKPFMXHIW-UHFFFAOYSA-N -1 3 358.446 3.356 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)NC1(C)CCC(C)CC1 ZINC000736637520 598263984 /nfs/dbraw/zinc/26/39/84/598263984.db2.gz RBIWOPKPFMXHIW-UHFFFAOYSA-N -1 3 358.446 3.356 20 0 FGADHM C[C@@H]1C[C@H]1CNC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736240460 598266359 /nfs/dbraw/zinc/26/63/59/598266359.db2.gz UYZJXKAAYYICMD-OCCSQVGLSA-N -1 3 364.409 3.437 20 0 FGADHM C[C@@H]1C[C@H]1CNC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736240460 598266361 /nfs/dbraw/zinc/26/63/61/598266361.db2.gz UYZJXKAAYYICMD-OCCSQVGLSA-N -1 3 364.409 3.437 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N1CC[C@H](c2cccc(F)c2)C1 ZINC000738161615 598267692 /nfs/dbraw/zinc/26/76/92/598267692.db2.gz GYZCCXLABYONDX-LBPRGKRZSA-N -1 3 370.363 3.166 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N1CC[C@H](c2cccc(F)c2)C1 ZINC000738161615 598267693 /nfs/dbraw/zinc/26/76/93/598267693.db2.gz GYZCCXLABYONDX-LBPRGKRZSA-N -1 3 370.363 3.166 20 0 FGADHM Cc1cccc(CNC(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)c1 ZINC000737393720 598278590 /nfs/dbraw/zinc/27/85/90/598278590.db2.gz KHUZJLAQZRJQOG-UHFFFAOYSA-N -1 3 353.430 3.053 20 0 FGADHM Cc1cccc(CNC(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)c1 ZINC000737393720 598278591 /nfs/dbraw/zinc/27/85/91/598278591.db2.gz KHUZJLAQZRJQOG-UHFFFAOYSA-N -1 3 353.430 3.053 20 0 FGADHM O=C(Cc1ccccc1C(F)(F)F)OCc1cccc(-c2nnn[n-]2)c1 ZINC000737975344 598289743 /nfs/dbraw/zinc/28/97/43/598289743.db2.gz YRCYBXMLWDWQSS-UHFFFAOYSA-N -1 3 362.311 3.171 20 0 FGADHM O=C(Cc1ccccc1C(F)(F)F)OCc1cccc(-c2nn[n-]n2)c1 ZINC000737975344 598289745 /nfs/dbraw/zinc/28/97/45/598289745.db2.gz YRCYBXMLWDWQSS-UHFFFAOYSA-N -1 3 362.311 3.171 20 0 FGADHM CN(C(=O)Cc1cccc2ccccc21)c1ccc(-c2nnn[n-]2)cc1F ZINC000736739400 598311239 /nfs/dbraw/zinc/31/12/39/598311239.db2.gz OFNPRQPYRPOTPX-UHFFFAOYSA-N -1 3 361.380 3.365 20 0 FGADHM CN(C(=O)Cc1cccc2ccccc21)c1ccc(-c2nn[n-]n2)cc1F ZINC000736739400 598311240 /nfs/dbraw/zinc/31/12/40/598311240.db2.gz OFNPRQPYRPOTPX-UHFFFAOYSA-N -1 3 361.380 3.365 20 0 FGADHM Cc1ccccc1SCC(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000737431546 598311885 /nfs/dbraw/zinc/31/18/85/598311885.db2.gz JWKWPOTZYWWFIX-UHFFFAOYSA-N -1 3 357.414 3.069 20 0 FGADHM Cc1ccccc1SCC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000737431546 598311887 /nfs/dbraw/zinc/31/18/87/598311887.db2.gz JWKWPOTZYWWFIX-UHFFFAOYSA-N -1 3 357.414 3.069 20 0 FGADHM C[C@H](Cc1ccco1)NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736066807 598319972 /nfs/dbraw/zinc/31/99/72/598319972.db2.gz QPHXSJXSPGMKBH-SECBINFHSA-N -1 3 362.846 3.031 20 0 FGADHM C[C@H](Cc1ccco1)NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736066807 598319974 /nfs/dbraw/zinc/31/99/74/598319974.db2.gz QPHXSJXSPGMKBH-SECBINFHSA-N -1 3 362.846 3.031 20 0 FGADHM CC(C)c1nc(CCNc2c(F)cc(-c3nnn[n-]3)cc2F)cs1 ZINC000735941428 598352310 /nfs/dbraw/zinc/35/23/10/598352310.db2.gz YDDQLYIJGHPIAQ-UHFFFAOYSA-N -1 3 350.398 3.379 20 0 FGADHM CC(C)c1nc(CCNc2c(F)cc(-c3nn[n-]n3)cc2F)cs1 ZINC000735941428 598352311 /nfs/dbraw/zinc/35/23/11/598352311.db2.gz YDDQLYIJGHPIAQ-UHFFFAOYSA-N -1 3 350.398 3.379 20 0 FGADHM Cc1nc(CNc2c(F)cc(-c3nnn[n-]3)cc2F)nc2ccccc12 ZINC000737477390 598353576 /nfs/dbraw/zinc/35/35/76/598353576.db2.gz LACMRANHRMIITF-UHFFFAOYSA-N -1 3 353.336 3.009 20 0 FGADHM Cc1nc(CNc2c(F)cc(-c3nn[n-]n3)cc2F)nc2ccccc12 ZINC000737477390 598353577 /nfs/dbraw/zinc/35/35/77/598353577.db2.gz LACMRANHRMIITF-UHFFFAOYSA-N -1 3 353.336 3.009 20 0 FGADHM CC(=O)c1ccc(OCc2cn3ccccc3c2-c2nnn[n-]2)cc1F ZINC000735500057 598358877 /nfs/dbraw/zinc/35/88/77/598358877.db2.gz WZFOVNPJSRGNIX-UHFFFAOYSA-N -1 3 351.341 3.040 20 0 FGADHM CC(=O)c1ccc(OCc2cn3ccccc3c2-c2nn[n-]n2)cc1F ZINC000735500057 598358879 /nfs/dbraw/zinc/35/88/79/598358879.db2.gz WZFOVNPJSRGNIX-UHFFFAOYSA-N -1 3 351.341 3.040 20 0 FGADHM O=C(c1sccc1-c1nnn[n-]1)N1CCC[C@@H](Cc2ccccc2)C1 ZINC000738292122 598362479 /nfs/dbraw/zinc/36/24/79/598362479.db2.gz WKNGNCKVKLVJDG-AWEZNQCLSA-N -1 3 353.451 3.023 20 0 FGADHM O=C(c1sccc1-c1nn[n-]n1)N1CCC[C@@H](Cc2ccccc2)C1 ZINC000738292122 598362481 /nfs/dbraw/zinc/36/24/81/598362481.db2.gz WKNGNCKVKLVJDG-AWEZNQCLSA-N -1 3 353.451 3.023 20 0 FGADHM Fc1cc(CSCc2cccc(-c3nnn[n-]3)c2)c2c(c1)COCO2 ZINC000737650104 598370310 /nfs/dbraw/zinc/37/03/10/598370310.db2.gz FZXVWZPMEFOEEA-UHFFFAOYSA-N -1 3 358.398 3.306 20 0 FGADHM Fc1cc(CSCc2cccc(-c3nn[n-]n3)c2)c2c(c1)COCO2 ZINC000737650104 598370313 /nfs/dbraw/zinc/37/03/13/598370313.db2.gz FZXVWZPMEFOEEA-UHFFFAOYSA-N -1 3 358.398 3.306 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(F)cc1C ZINC000821123429 607355687 /nfs/dbraw/zinc/35/56/87/607355687.db2.gz RXFRDXCUZKOUHZ-UHFFFAOYSA-N -1 3 354.389 3.388 20 0 FGADHM Clc1cc(-c2nnn[n-]2)cnc1NCC1(c2ccccc2)CCOCC1 ZINC000737558891 598390091 /nfs/dbraw/zinc/39/00/91/598390091.db2.gz QYOYCZXSUVZBNF-UHFFFAOYSA-N -1 3 370.844 3.075 20 0 FGADHM Clc1cc(-c2nn[n-]n2)cnc1NCC1(c2ccccc2)CCOCC1 ZINC000737558891 598390093 /nfs/dbraw/zinc/39/00/93/598390093.db2.gz QYOYCZXSUVZBNF-UHFFFAOYSA-N -1 3 370.844 3.075 20 0 FGADHM C[C@H](CCc1ccc2c(c1)OCO2)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC000735986696 598392091 /nfs/dbraw/zinc/39/20/91/598392091.db2.gz PEXCPYWZFFMZKG-SNVBAGLBSA-N -1 3 372.816 3.077 20 0 FGADHM C[C@H](CCc1ccc2c(c1)OCO2)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC000735986696 598392094 /nfs/dbraw/zinc/39/20/94/598392094.db2.gz PEXCPYWZFFMZKG-SNVBAGLBSA-N -1 3 372.816 3.077 20 0 FGADHM CCc1cccc2c1OCC[C@@H]2Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC000736695313 598393306 /nfs/dbraw/zinc/39/33/06/598393306.db2.gz LEBUJARHIQKJTG-AWEZNQCLSA-N -1 3 356.817 3.413 20 0 FGADHM CCc1cccc2c1OCC[C@@H]2Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC000736695313 598393308 /nfs/dbraw/zinc/39/33/08/598393308.db2.gz LEBUJARHIQKJTG-AWEZNQCLSA-N -1 3 356.817 3.413 20 0 FGADHM CCc1cccc(C)c1NC(=O)COc1ccc(-c2nn[n-]n2)cc1C ZINC000736697507 598394732 /nfs/dbraw/zinc/39/47/32/598394732.db2.gz HCTPWQDIPQLZMR-UHFFFAOYSA-N -1 3 351.410 3.063 20 0 FGADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1c[nH]c2cc(Cl)ccc12 ZINC000736822425 598401585 /nfs/dbraw/zinc/40/15/85/598401585.db2.gz NORXTDRAOZLQHI-UHFFFAOYSA-N -1 3 366.812 3.274 20 0 FGADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1c[nH]c2cc(Cl)ccc12 ZINC000736822425 598401586 /nfs/dbraw/zinc/40/15/86/598401586.db2.gz NORXTDRAOZLQHI-UHFFFAOYSA-N -1 3 366.812 3.274 20 0 FGADHM CC(C)c1ccc([C@@H](C)NC(=O)CNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735924099 598415288 /nfs/dbraw/zinc/41/52/88/598415288.db2.gz QDQMPEVAFCWFMO-CQSZACIVSA-N -1 3 364.453 3.279 20 0 FGADHM COc1ccccc1C[C@H](C)CC(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000737154182 598421075 /nfs/dbraw/zinc/42/10/75/598421075.db2.gz YGOPLWCYPDPUFJ-ZDUSSCGKSA-N -1 3 365.437 3.391 20 0 FGADHM COc1ccccc1C[C@H](C)CC(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000737154182 598421077 /nfs/dbraw/zinc/42/10/77/598421077.db2.gz YGOPLWCYPDPUFJ-ZDUSSCGKSA-N -1 3 365.437 3.391 20 0 FGADHM Cc1cc(C)c2c(c1)N(C(=O)CCc1ccc(-c3nnn[n-]3)cc1)CCC2 ZINC000737249224 598447654 /nfs/dbraw/zinc/44/76/54/598447654.db2.gz TUYGZBMQOZUWOQ-UHFFFAOYSA-N -1 3 361.449 3.396 20 0 FGADHM Cc1cc(C)c2c(c1)N(C(=O)CCc1ccc(-c3nn[n-]n3)cc1)CCC2 ZINC000737249224 598447655 /nfs/dbraw/zinc/44/76/55/598447655.db2.gz TUYGZBMQOZUWOQ-UHFFFAOYSA-N -1 3 361.449 3.396 20 0 FGADHM CCCCCCOCC(=O)Nc1sc(C)c(CC)c1-c1nnn[n-]1 ZINC000736448468 598452774 /nfs/dbraw/zinc/45/27/74/598452774.db2.gz ZQWQKCVYTXPJPL-UHFFFAOYSA-N -1 3 351.476 3.334 20 0 FGADHM CCCCCCOCC(=O)Nc1sc(C)c(CC)c1-c1nn[n-]n1 ZINC000736448468 598452775 /nfs/dbraw/zinc/45/27/75/598452775.db2.gz ZQWQKCVYTXPJPL-UHFFFAOYSA-N -1 3 351.476 3.334 20 0 FGADHM Fc1ccc([C@@H]2CN(c3ccc(-c4nn[n-]n4)cc3)CCO2)cc1Cl ZINC000737649373 598458286 /nfs/dbraw/zinc/45/82/86/598458286.db2.gz LYOYEZJQVGSZHQ-INIZCTEOSA-N -1 3 359.792 3.237 20 0 FGADHM Cc1cc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2)cc(C)c1OC(F)F ZINC000737243049 598475390 /nfs/dbraw/zinc/47/53/90/598475390.db2.gz RKMSGNKELNAOFP-UHFFFAOYSA-N -1 3 374.347 3.442 20 0 FGADHM Cc1cc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2)cc(C)c1OC(F)F ZINC000737243049 598475392 /nfs/dbraw/zinc/47/53/92/598475392.db2.gz RKMSGNKELNAOFP-UHFFFAOYSA-N -1 3 374.347 3.442 20 0 FGADHM Cc1ccccc1CNC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000737428961 598477988 /nfs/dbraw/zinc/47/79/88/598477988.db2.gz ZGMVJKKKHASICY-UHFFFAOYSA-N -1 3 362.437 3.049 20 0 FGADHM Cc1ccccc1CNC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000737428961 598477989 /nfs/dbraw/zinc/47/79/89/598477989.db2.gz ZGMVJKKKHASICY-UHFFFAOYSA-N -1 3 362.437 3.049 20 0 FGADHM O=C(N[C@H]1C[C@H]1c1ccccc1)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000738019710 598480441 /nfs/dbraw/zinc/48/04/41/598480441.db2.gz LNZPUMBBIRXWGE-OALUTQOASA-N -1 3 374.448 3.097 20 0 FGADHM O=C(N[C@H]1C[C@H]1c1ccccc1)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000738019710 598480442 /nfs/dbraw/zinc/48/04/42/598480442.db2.gz LNZPUMBBIRXWGE-OALUTQOASA-N -1 3 374.448 3.097 20 0 FGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)C(F)(F)c1ccccc1 ZINC000735654577 598487818 /nfs/dbraw/zinc/48/78/18/598487818.db2.gz HFCXAPMFPIDQIW-UHFFFAOYSA-N -1 3 360.368 3.154 20 0 FGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)C(F)(F)c1ccccc1 ZINC000735654577 598487820 /nfs/dbraw/zinc/48/78/20/598487820.db2.gz HFCXAPMFPIDQIW-UHFFFAOYSA-N -1 3 360.368 3.154 20 0 FGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)[C@@H]1CCc2ccccc21 ZINC000735654245 598489029 /nfs/dbraw/zinc/48/90/29/598489029.db2.gz CCYGMAXFQBRSSB-OAHLLOKOSA-N -1 3 350.426 3.092 20 0 FGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1CCc2ccccc21 ZINC000735654245 598489031 /nfs/dbraw/zinc/48/90/31/598489031.db2.gz CCYGMAXFQBRSSB-OAHLLOKOSA-N -1 3 350.426 3.092 20 0 FGADHM C[C@H](OC(=O)[C@H]1Cc2ccccc2S1)c1cccc(-c2nnn[n-]2)c1 ZINC000736152461 598489979 /nfs/dbraw/zinc/48/99/79/598489979.db2.gz OMDAYWRPNADBOY-MEDUHNTESA-N -1 3 352.419 3.188 20 0 FGADHM C[C@H](OC(=O)[C@H]1Cc2ccccc2S1)c1cccc(-c2nn[n-]n2)c1 ZINC000736152461 598489981 /nfs/dbraw/zinc/48/99/81/598489981.db2.gz OMDAYWRPNADBOY-MEDUHNTESA-N -1 3 352.419 3.188 20 0 FGADHM Cc1ccc(OCC(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1C ZINC000737364579 598490351 /nfs/dbraw/zinc/49/03/51/598490351.db2.gz LZTQDAGCMKJOTP-AWEZNQCLSA-N -1 3 352.394 3.167 20 0 FGADHM Cc1ccc(OCC(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1C ZINC000737364579 598490352 /nfs/dbraw/zinc/49/03/52/598490352.db2.gz LZTQDAGCMKJOTP-AWEZNQCLSA-N -1 3 352.394 3.167 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N(CC1CC1)C1CCCCC1 ZINC000737801137 598500379 /nfs/dbraw/zinc/50/03/79/598500379.db2.gz RYSJVRZAXOFAGL-SEYXRHQNSA-N -1 3 351.454 3.451 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N(CC1CC1)C1CCCCC1 ZINC000737801137 598500381 /nfs/dbraw/zinc/50/03/81/598500381.db2.gz RYSJVRZAXOFAGL-SEYXRHQNSA-N -1 3 351.454 3.451 20 0 FGADHM Cc1cc(C)c(-c2nnn[n-]2)c(N2CCC(OC3CCC(C)CC3)CC2)n1 ZINC000737246406 598502765 /nfs/dbraw/zinc/50/27/65/598502765.db2.gz TWGKJZKLPPLLPE-UHFFFAOYSA-N -1 3 370.501 3.443 20 0 FGADHM Cc1cc(C)c(-c2nn[n-]n2)c(N2CCC(OC3CCC(C)CC3)CC2)n1 ZINC000737246406 598502767 /nfs/dbraw/zinc/50/27/67/598502767.db2.gz TWGKJZKLPPLLPE-UHFFFAOYSA-N -1 3 370.501 3.443 20 0 FGADHM COc1ccc(OCCN(C)c2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000737110423 598506261 /nfs/dbraw/zinc/50/62/61/598506261.db2.gz YGNURDGVTQJWIL-UHFFFAOYSA-N -1 3 359.817 3.044 20 0 FGADHM COc1ccc(OCCN(C)c2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000737110423 598506263 /nfs/dbraw/zinc/50/62/63/598506263.db2.gz YGNURDGVTQJWIL-UHFFFAOYSA-N -1 3 359.817 3.044 20 0 FGADHM COc1ccc(COCCSCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000737098284 598512217 /nfs/dbraw/zinc/51/22/17/598512217.db2.gz UDJFPRYCIKDAGB-UHFFFAOYSA-N -1 3 374.441 3.464 20 0 FGADHM COc1ccc(COCCSCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000737098284 598512219 /nfs/dbraw/zinc/51/22/19/598512219.db2.gz UDJFPRYCIKDAGB-UHFFFAOYSA-N -1 3 374.441 3.464 20 0 FGADHM Cc1nn(-c2ccccc2)c(COc2cccc(F)c2F)c1-c1nnn[n-]1 ZINC000737503756 598514644 /nfs/dbraw/zinc/51/46/44/598514644.db2.gz KXWMYLPJLUPWAY-UHFFFAOYSA-N -1 3 368.347 3.218 20 0 FGADHM CCc1c(C)sc(NC(=O)c2ccc(OC(C)C)nc2)c1-c1nnn[n-]1 ZINC000736677111 598516500 /nfs/dbraw/zinc/51/65/00/598516500.db2.gz ZOHPLDHDGXQFSD-UHFFFAOYSA-N -1 3 372.454 3.234 20 0 FGADHM CCc1c(C)sc(NC(=O)c2ccc(OC(C)C)nc2)c1-c1nn[n-]n1 ZINC000736677111 598516502 /nfs/dbraw/zinc/51/65/02/598516502.db2.gz ZOHPLDHDGXQFSD-UHFFFAOYSA-N -1 3 372.454 3.234 20 0 FGADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Oc1cccc(F)c1F ZINC000735735202 598518214 /nfs/dbraw/zinc/51/82/14/598518214.db2.gz LWBAQZUBMZBFSS-MRXNPFEDSA-N -1 3 374.347 3.154 20 0 FGADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Oc1cccc(F)c1F ZINC000735735202 598518215 /nfs/dbraw/zinc/51/82/15/598518215.db2.gz LWBAQZUBMZBFSS-MRXNPFEDSA-N -1 3 374.347 3.154 20 0 FGADHM CCc1ccc([C@@H](C)C(=O)OCCOc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736691761 598533230 /nfs/dbraw/zinc/53/32/30/598533230.db2.gz YEOJOEGBLJFSDM-CQSZACIVSA-N -1 3 366.421 3.155 20 0 FGADHM Cc1nnc(NCCOc2ccccc2C(C)(C)C)c(-c2nnn[n-]2)c1C ZINC000737521492 598537933 /nfs/dbraw/zinc/53/79/33/598537933.db2.gz PMRHVRVLCBOVKA-UHFFFAOYSA-N -1 3 367.457 3.062 20 0 FGADHM Cc1nnc(NCCOc2ccccc2C(C)(C)C)c(-c2nn[n-]n2)c1C ZINC000737521492 598537935 /nfs/dbraw/zinc/53/79/35/598537935.db2.gz PMRHVRVLCBOVKA-UHFFFAOYSA-N -1 3 367.457 3.062 20 0 FGADHM Cc1cc(OCc2cccc(-c3nnn[n-]3)c2)ccc1NC(=O)[C@@H]1C[C@H]1C ZINC000737280923 598542352 /nfs/dbraw/zinc/54/23/52/598542352.db2.gz VYSSILFLFQLDKL-SJKOYZFVSA-N -1 3 363.421 3.349 20 0 FGADHM Cc1cc(OCc2cccc(-c3nn[n-]n3)c2)ccc1NC(=O)[C@@H]1C[C@H]1C ZINC000737280923 598542354 /nfs/dbraw/zinc/54/23/54/598542354.db2.gz VYSSILFLFQLDKL-SJKOYZFVSA-N -1 3 363.421 3.349 20 0 FGADHM O=C(COc1ccc(-c2nnn[n-]2)c(F)c1)C12CC3CC(CC(C3)C1)C2 ZINC000737916991 598549836 /nfs/dbraw/zinc/54/98/36/598549836.db2.gz ROKLAYHPURETMX-UHFFFAOYSA-N -1 3 356.401 3.170 20 0 FGADHM O=C(COc1ccc(-c2nn[n-]n2)c(F)c1)C12CC3CC(CC(C3)C1)C2 ZINC000737916991 598549837 /nfs/dbraw/zinc/54/98/37/598549837.db2.gz ROKLAYHPURETMX-UHFFFAOYSA-N -1 3 356.401 3.170 20 0 FGADHM O=C(Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1)c1ccc[nH]1 ZINC000738174422 598550799 /nfs/dbraw/zinc/55/07/99/598550799.db2.gz ZEKDAERAUJAXEL-UHFFFAOYSA-N -1 3 360.377 3.026 20 0 FGADHM O=C(Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1)c1ccc[nH]1 ZINC000738174422 598550800 /nfs/dbraw/zinc/55/08/00/598550800.db2.gz ZEKDAERAUJAXEL-UHFFFAOYSA-N -1 3 360.377 3.026 20 0 FGADHM CC(C)CCC[C@@H](C)NC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000735796974 598570266 /nfs/dbraw/zinc/57/02/66/598570266.db2.gz KYSRCAISSBFPQG-QAPCUYQASA-N -1 3 370.501 3.167 20 0 FGADHM Cc1cc(C)cc(NC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737251590 598570860 /nfs/dbraw/zinc/57/08/60/598570860.db2.gz UGSQGUAEHRLYBR-GOSISDBHSA-N -1 3 362.437 3.091 20 0 FGADHM O=C(Cn1ccc2ccc(Cl)cc21)Nc1ccccc1-c1nnn[n-]1 ZINC000737987137 598572422 /nfs/dbraw/zinc/57/24/22/598572422.db2.gz SIRYVYYEEIVFKC-UHFFFAOYSA-N -1 3 352.785 3.114 20 0 FGADHM O=C(Cn1ccc2ccc(Cl)cc21)Nc1ccccc1-c1nn[n-]n1 ZINC000737987137 598572424 /nfs/dbraw/zinc/57/24/24/598572424.db2.gz SIRYVYYEEIVFKC-UHFFFAOYSA-N -1 3 352.785 3.114 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000738164417 598583696 /nfs/dbraw/zinc/58/36/96/598583696.db2.gz ZJHRPDQRRNZYMF-QWHCGFSZSA-N -1 3 357.776 3.401 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000738164417 598583698 /nfs/dbraw/zinc/58/36/98/598583698.db2.gz ZJHRPDQRRNZYMF-QWHCGFSZSA-N -1 3 357.776 3.401 20 0 FGADHM CC(C)(C)n1nc(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1C1CC1 ZINC000735665468 598585946 /nfs/dbraw/zinc/58/59/46/598585946.db2.gz XSILBTGWYWTOFX-UHFFFAOYSA-N -1 3 369.404 3.087 20 0 FGADHM CC(C)(C)n1nc(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1C1CC1 ZINC000735665468 598585947 /nfs/dbraw/zinc/58/59/47/598585947.db2.gz XSILBTGWYWTOFX-UHFFFAOYSA-N -1 3 369.404 3.087 20 0 FGADHM Cc1ccc(F)c2c1CCCN2C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000737344323 598587728 /nfs/dbraw/zinc/58/77/28/598587728.db2.gz DMVQDNPZOPRVNN-UHFFFAOYSA-N -1 3 365.412 3.226 20 0 FGADHM Cc1ccc(F)c2c1CCCN2C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000737344323 598587729 /nfs/dbraw/zinc/58/77/29/598587729.db2.gz DMVQDNPZOPRVNN-UHFFFAOYSA-N -1 3 365.412 3.226 20 0 FGADHM Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000737317803 598592016 /nfs/dbraw/zinc/59/20/16/598592016.db2.gz NDOQYNUVQJWTMV-UHFFFAOYSA-N -1 3 369.400 3.455 20 0 FGADHM Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000737317803 598592018 /nfs/dbraw/zinc/59/20/18/598592018.db2.gz NDOQYNUVQJWTMV-UHFFFAOYSA-N -1 3 369.400 3.455 20 0 FGADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)c1nc(-c2ccc(F)cc2)no1 ZINC000736188369 598606901 /nfs/dbraw/zinc/60/69/01/598606901.db2.gz MXGQFQPJTRSVRX-SNVBAGLBSA-N -1 3 352.329 3.196 20 0 FGADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)c1nc(-c2ccc(F)cc2)no1 ZINC000736188369 598606903 /nfs/dbraw/zinc/60/69/03/598606903.db2.gz MXGQFQPJTRSVRX-SNVBAGLBSA-N -1 3 352.329 3.196 20 0 FGADHM c1ccc(CCCc2noc(COc3ccccc3-c3nnn[n-]3)n2)cc1 ZINC000738428598 598611987 /nfs/dbraw/zinc/61/19/87/598611987.db2.gz PBEVGUGHYCVHDL-UHFFFAOYSA-N -1 3 362.393 3.004 20 0 FGADHM c1ccc(CCCc2noc(COc3ccccc3-c3nn[n-]n3)n2)cc1 ZINC000738428598 598611989 /nfs/dbraw/zinc/61/19/89/598611989.db2.gz PBEVGUGHYCVHDL-UHFFFAOYSA-N -1 3 362.393 3.004 20 0 FGADHM CC(C)(CNC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1F ZINC000735670168 598625908 /nfs/dbraw/zinc/62/59/08/598625908.db2.gz HAZQCXDEWUIMBV-UHFFFAOYSA-N -1 3 372.379 3.244 20 0 FGADHM CC(C)(CNC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1F ZINC000735670168 598625910 /nfs/dbraw/zinc/62/59/10/598625910.db2.gz HAZQCXDEWUIMBV-UHFFFAOYSA-N -1 3 372.379 3.244 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N[C@H](c1ccccc1)C1CC1 ZINC000738165267 598632993 /nfs/dbraw/zinc/63/29/93/598632993.db2.gz AXKJMJKFGFIWPR-MRXNPFEDSA-N -1 3 352.373 3.279 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N[C@H](c1ccccc1)C1CC1 ZINC000738165267 598632995 /nfs/dbraw/zinc/63/29/95/598632995.db2.gz AXKJMJKFGFIWPR-MRXNPFEDSA-N -1 3 352.373 3.279 20 0 FGADHM Fc1ccc([C@@H]2CN(c3c(Cl)cccc3-c3nnn[n-]3)CCO2)cc1 ZINC000737652644 598633855 /nfs/dbraw/zinc/63/38/55/598633855.db2.gz ZWOKNOQDLBHBSN-HNNXBMFYSA-N -1 3 359.792 3.237 20 0 FGADHM Fc1ccc([C@@H]2CN(c3c(Cl)cccc3-c3nn[n-]n3)CCO2)cc1 ZINC000737652644 598633857 /nfs/dbraw/zinc/63/38/57/598633857.db2.gz ZWOKNOQDLBHBSN-HNNXBMFYSA-N -1 3 359.792 3.237 20 0 FGADHM CC(=O)Nc1cccc2c1CCN(c1c(Cl)cccc1-c1nnn[n-]1)C2 ZINC000735488590 598634349 /nfs/dbraw/zinc/63/43/49/598634349.db2.gz KCIRNMAKIZSVDF-UHFFFAOYSA-N -1 3 368.828 3.041 20 0 FGADHM CC(=O)Nc1cccc2c1CCN(c1c(Cl)cccc1-c1nn[n-]n1)C2 ZINC000735488590 598634351 /nfs/dbraw/zinc/63/43/51/598634351.db2.gz KCIRNMAKIZSVDF-UHFFFAOYSA-N -1 3 368.828 3.041 20 0 FGADHM COc1cc(C)c(CN(C)c2ccc(-c3nnn[n-]3)c(Cl)c2)cc1OC ZINC000737041504 598637740 /nfs/dbraw/zinc/63/77/40/598637740.db2.gz VQSUIDMLEZBHOG-UHFFFAOYSA-N -1 3 373.844 3.482 20 0 FGADHM COc1cc(C)c(CN(C)c2ccc(-c3nn[n-]n3)c(Cl)c2)cc1OC ZINC000737041504 598637742 /nfs/dbraw/zinc/63/77/42/598637742.db2.gz VQSUIDMLEZBHOG-UHFFFAOYSA-N -1 3 373.844 3.482 20 0 FGADHM CCn1c(CSc2ccc(-c3nnn[n-]3)cn2)nc2c1cccc2F ZINC000736713712 598644302 /nfs/dbraw/zinc/64/43/02/598644302.db2.gz MEXAUFQOMXOYFN-UHFFFAOYSA-N -1 3 355.402 3.063 20 0 FGADHM CCn1c(CSc2ccc(-c3nn[n-]n3)cn2)nc2c1cccc2F ZINC000736713712 598644303 /nfs/dbraw/zinc/64/43/03/598644303.db2.gz MEXAUFQOMXOYFN-UHFFFAOYSA-N -1 3 355.402 3.063 20 0 FGADHM CC(C)CCNC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735811660 598647453 /nfs/dbraw/zinc/64/74/53/598647453.db2.gz PTCWJJYHCVLYDH-UHFFFAOYSA-N -1 3 351.410 3.435 20 0 FGADHM CC(C)CCNC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735811660 598647455 /nfs/dbraw/zinc/64/74/55/598647455.db2.gz PTCWJJYHCVLYDH-UHFFFAOYSA-N -1 3 351.410 3.435 20 0 FGADHM C[C@H]1CN(C(=O)CSc2ccc(-c3nnn[n-]3)cc2)Cc2ccccc21 ZINC000736279327 598648216 /nfs/dbraw/zinc/64/82/16/598648216.db2.gz JGPVXVSDZKRHLO-ZDUSSCGKSA-N -1 3 365.462 3.105 20 0 FGADHM C[C@H]1CN(C(=O)CSc2ccc(-c3nn[n-]n3)cc2)Cc2ccccc21 ZINC000736279327 598648217 /nfs/dbraw/zinc/64/82/17/598648217.db2.gz JGPVXVSDZKRHLO-ZDUSSCGKSA-N -1 3 365.462 3.105 20 0 FGADHM CC[C@H](CNC(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000736349671 598648225 /nfs/dbraw/zinc/64/82/25/598648225.db2.gz HVFLQRIWCONGTP-CQSZACIVSA-N -1 3 367.478 3.269 20 0 FGADHM CC[C@H](CNC(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000736349671 598648226 /nfs/dbraw/zinc/64/82/26/598648226.db2.gz HVFLQRIWCONGTP-CQSZACIVSA-N -1 3 367.478 3.269 20 0 FGADHM CC(C)CCN(C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000735797249 598649337 /nfs/dbraw/zinc/64/93/37/598649337.db2.gz NCUUBNKMNRRLLD-UHFFFAOYSA-N -1 3 371.485 3.453 20 0 FGADHM CC(C)CCN(C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000735797249 598649339 /nfs/dbraw/zinc/64/93/39/598649339.db2.gz NCUUBNKMNRRLLD-UHFFFAOYSA-N -1 3 371.485 3.453 20 0 FGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)Nc1cccc2cccnc21 ZINC000737946941 598649532 /nfs/dbraw/zinc/64/95/32/598649532.db2.gz JKTBJRLPGPJRQX-UHFFFAOYSA-N -1 3 362.418 3.146 20 0 FGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)Nc1cccc2cccnc21 ZINC000737946941 598649533 /nfs/dbraw/zinc/64/95/33/598649533.db2.gz JKTBJRLPGPJRQX-UHFFFAOYSA-N -1 3 362.418 3.146 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C=C(C)c1cccc(F)c1 ZINC000736634821 598654708 /nfs/dbraw/zinc/65/47/08/598654708.db2.gz JMABUWZHDZGDAG-FMIVXFBMSA-N -1 3 367.384 3.447 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C=C(C)c1cccc(F)c1 ZINC000736634821 598654709 /nfs/dbraw/zinc/65/47/09/598654709.db2.gz JMABUWZHDZGDAG-FMIVXFBMSA-N -1 3 367.384 3.447 20 0 FGADHM CCC[C@H]1CCCC[C@H]1NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736437609 598659788 /nfs/dbraw/zinc/65/97/88/598659788.db2.gz VUEBVJNUYYMBSE-XJKSGUPXSA-N -1 3 359.499 3.434 20 0 FGADHM CCC[C@H]1CCCC[C@H]1NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736437609 598659789 /nfs/dbraw/zinc/65/97/89/598659789.db2.gz VUEBVJNUYYMBSE-XJKSGUPXSA-N -1 3 359.499 3.434 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cn1)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000738152392 598660704 /nfs/dbraw/zinc/66/07/04/598660704.db2.gz XLMCLVPYDQMNKO-IAGOWNOFSA-N -1 3 356.389 3.157 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cn1)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000738152392 598660705 /nfs/dbraw/zinc/66/07/05/598660705.db2.gz XLMCLVPYDQMNKO-IAGOWNOFSA-N -1 3 356.389 3.157 20 0 FGADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)c1ccnc(C(C)C)n1 ZINC000735830092 598666037 /nfs/dbraw/zinc/66/60/37/598666037.db2.gz CWLANOGAEWELNY-UHFFFAOYSA-N -1 3 351.458 3.443 20 0 FGADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)c1ccnc(C(C)C)n1 ZINC000735830092 598666040 /nfs/dbraw/zinc/66/60/40/598666040.db2.gz CWLANOGAEWELNY-UHFFFAOYSA-N -1 3 351.458 3.443 20 0 FGADHM CC(C)C[C@H]1CCCN1C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000735794705 598686074 /nfs/dbraw/zinc/68/60/74/598686074.db2.gz BKVSDCMLIFHIPH-QGZVFWFLSA-N -1 3 371.485 3.453 20 0 FGADHM CC(C)C[C@H]1CCCN1C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000735794705 598686076 /nfs/dbraw/zinc/68/60/76/598686076.db2.gz BKVSDCMLIFHIPH-QGZVFWFLSA-N -1 3 371.485 3.453 20 0 FGADHM O=C(CCCOc1ccc(F)cc1)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737838027 598707009 /nfs/dbraw/zinc/70/70/09/598707009.db2.gz XKAYYZMXHAPVRG-UHFFFAOYSA-N -1 3 374.347 3.047 20 0 FGADHM O=C(CCCOc1ccc(F)cc1)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737838027 598707010 /nfs/dbraw/zinc/70/70/10/598707010.db2.gz XKAYYZMXHAPVRG-UHFFFAOYSA-N -1 3 374.347 3.047 20 0 FGADHM O=C(Nc1ccccc1O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000738192300 598718141 /nfs/dbraw/zinc/71/81/41/598718141.db2.gz YSNAXAQKJRMYCJ-UHFFFAOYSA-N -1 3 374.360 3.012 20 0 FGADHM O=C(Nc1ccccc1O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000738192300 598718142 /nfs/dbraw/zinc/71/81/42/598718142.db2.gz YSNAXAQKJRMYCJ-UHFFFAOYSA-N -1 3 374.360 3.012 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)c1ccc(-c2ccccc2)[nH]1 ZINC000738234334 598725288 /nfs/dbraw/zinc/72/52/88/598725288.db2.gz BLWYAUKHCAFQPA-UHFFFAOYSA-N -1 3 363.352 3.358 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)c1ccc(-c2ccccc2)[nH]1 ZINC000738234334 598725290 /nfs/dbraw/zinc/72/52/90/598725290.db2.gz BLWYAUKHCAFQPA-UHFFFAOYSA-N -1 3 363.352 3.358 20 0 FGADHM CCSc1ccc([C@@H](C)NC(=O)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736666746 598745864 /nfs/dbraw/zinc/74/58/64/598745864.db2.gz NRBAFRVDJRJWJY-CYBMUJFWSA-N -1 3 367.478 3.399 20 0 FGADHM CCSc1ccc([C@@H](C)NC(=O)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736666746 598745866 /nfs/dbraw/zinc/74/58/66/598745866.db2.gz NRBAFRVDJRJWJY-CYBMUJFWSA-N -1 3 367.478 3.399 20 0 FGADHM CC(C)c1ccccc1NC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000736187212 598762135 /nfs/dbraw/zinc/76/21/35/598762135.db2.gz GKWZNADRRXIWKL-CYBMUJFWSA-N -1 3 351.410 3.396 20 0 FGADHM CC(C)c1ccccc1NC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000736187212 598762136 /nfs/dbraw/zinc/76/21/36/598762136.db2.gz GKWZNADRRXIWKL-CYBMUJFWSA-N -1 3 351.410 3.396 20 0 FGADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000736185099 598762371 /nfs/dbraw/zinc/76/23/71/598762371.db2.gz SSKBSJAFOCBONN-VIFPVBQESA-N -1 3 361.764 3.065 20 0 FGADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000736185099 598762373 /nfs/dbraw/zinc/76/23/73/598762373.db2.gz SSKBSJAFOCBONN-VIFPVBQESA-N -1 3 361.764 3.065 20 0 FGADHM COCCN(Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)CC(F)F ZINC000736997669 598763889 /nfs/dbraw/zinc/76/38/89/598763889.db2.gz UOKRQGOOBTYOCB-UHFFFAOYSA-N -1 3 373.407 3.247 20 0 FGADHM COCCN(Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)CC(F)F ZINC000736997669 598763891 /nfs/dbraw/zinc/76/38/91/598763891.db2.gz UOKRQGOOBTYOCB-UHFFFAOYSA-N -1 3 373.407 3.247 20 0 FGADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1F)c1cnc(-c2ccco2)s1 ZINC000738229877 598781397 /nfs/dbraw/zinc/78/13/97/598781397.db2.gz BBLSBUXVSPSKQE-UHFFFAOYSA-N -1 3 371.353 3.079 20 0 FGADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1F)c1cnc(-c2ccco2)s1 ZINC000738229877 598781398 /nfs/dbraw/zinc/78/13/98/598781398.db2.gz BBLSBUXVSPSKQE-UHFFFAOYSA-N -1 3 371.353 3.079 20 0 FGADHM CC(C)NC(=S)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735888917 598788463 /nfs/dbraw/zinc/78/84/63/598788463.db2.gz RUYXOTKMWXIYJT-UHFFFAOYSA-N -1 3 354.439 3.354 20 0 FGADHM CC(C)NC(=S)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735888917 598788465 /nfs/dbraw/zinc/78/84/65/598788465.db2.gz RUYXOTKMWXIYJT-UHFFFAOYSA-N -1 3 354.439 3.354 20 0 FGADHM CSc1ccc(N(C)C(=S)Nc2ccccc2-c2nnn[n-]2)cc1 ZINC000737189916 598790444 /nfs/dbraw/zinc/79/04/44/598790444.db2.gz HWVOVJAJSZAMIN-UHFFFAOYSA-N -1 3 356.480 3.422 20 0 FGADHM CSc1ccc(N(C)C(=S)Nc2ccccc2-c2nn[n-]n2)cc1 ZINC000737189916 598790445 /nfs/dbraw/zinc/79/04/45/598790445.db2.gz HWVOVJAJSZAMIN-UHFFFAOYSA-N -1 3 356.480 3.422 20 0 FGADHM CC(C)[C@@H](c1ccccc1)N(C)C(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000735733471 598790668 /nfs/dbraw/zinc/79/06/68/598790668.db2.gz AWUCDUCATNJXOP-IBGZPJMESA-N -1 3 365.437 3.101 20 0 FGADHM C[C@H]1CN(c2ccc(Cl)cc2-c2nnn[n-]2)C[C@H](c2ccccc2)O1 ZINC000736286324 598794307 /nfs/dbraw/zinc/79/43/07/598794307.db2.gz BPXOOQLMHJKHGH-YVEFUNNKSA-N -1 3 355.829 3.487 20 0 FGADHM C[C@H]1CN(c2ccc(Cl)cc2-c2nn[n-]n2)C[C@H](c2ccccc2)O1 ZINC000736286324 598794309 /nfs/dbraw/zinc/79/43/09/598794309.db2.gz BPXOOQLMHJKHGH-YVEFUNNKSA-N -1 3 355.829 3.487 20 0 FGADHM O=C(c1cccc(-c2nnn[n-]2)c1)N1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000738266539 598794561 /nfs/dbraw/zinc/79/45/61/598794561.db2.gz GHDXYUWGVKDQTR-MRXNPFEDSA-N -1 3 355.348 3.122 20 0 FGADHM O=C(c1cccc(-c2nn[n-]n2)c1)N1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000738266539 598794562 /nfs/dbraw/zinc/79/45/62/598794562.db2.gz GHDXYUWGVKDQTR-MRXNPFEDSA-N -1 3 355.348 3.122 20 0 FGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)CO[C@@H]1CCCC[C@H]1C ZINC000736273874 598802305 /nfs/dbraw/zinc/80/23/05/598802305.db2.gz SLYINXYGOVLFCM-CRAIPNDOSA-N -1 3 371.485 3.199 20 0 FGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)CO[C@@H]1CCCC[C@H]1C ZINC000736273874 598802307 /nfs/dbraw/zinc/80/23/07/598802307.db2.gz SLYINXYGOVLFCM-CRAIPNDOSA-N -1 3 371.485 3.199 20 0 FGADHM Cc1cnn(CCCCCSc2nc(C)cc(C)c2-c2nnn[n-]2)c1 ZINC000737449682 598802765 /nfs/dbraw/zinc/80/27/65/598802765.db2.gz XRPBCKKDTNIGKE-UHFFFAOYSA-N -1 3 357.487 3.346 20 0 FGADHM Cc1cnn(CCCCCSc2nc(C)cc(C)c2-c2nn[n-]n2)c1 ZINC000737449682 598802766 /nfs/dbraw/zinc/80/27/66/598802766.db2.gz XRPBCKKDTNIGKE-UHFFFAOYSA-N -1 3 357.487 3.346 20 0 FGADHM O=C(Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1)c1cc2ccccc2o1 ZINC000738194696 598806855 /nfs/dbraw/zinc/80/68/55/598806855.db2.gz IRCPCADVANBFKH-UHFFFAOYSA-N -1 3 371.360 3.051 20 0 FGADHM C[C@H]1CCC[C@@H](CC(=O)Nc2ccnn2-c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736247464 598807393 /nfs/dbraw/zinc/80/73/93/598807393.db2.gz DNWHDXPPFJLMSO-UONOGXRCSA-N -1 3 365.441 3.207 20 0 FGADHM CC[C@@H](C)[C@H](C)NC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000736328382 598810236 /nfs/dbraw/zinc/81/02/36/598810236.db2.gz HLCDRAOERHQYKI-OLZOCXBDSA-N -1 3 369.425 3.203 20 0 FGADHM CC[C@@H](C)[C@H](C)NC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000736328382 598810238 /nfs/dbraw/zinc/81/02/38/598810238.db2.gz HLCDRAOERHQYKI-OLZOCXBDSA-N -1 3 369.425 3.203 20 0 FGADHM COc1ccc(OC)c(CN(c2cccc(F)c2-c2nnn[n-]2)C2CC2)c1 ZINC000737109557 598814849 /nfs/dbraw/zinc/81/48/49/598814849.db2.gz JJSMZGBEBLUUPN-UHFFFAOYSA-N -1 3 369.400 3.192 20 0 FGADHM COc1ccc(OC)c(CN(c2cccc(F)c2-c2nn[n-]n2)C2CC2)c1 ZINC000737109557 598814850 /nfs/dbraw/zinc/81/48/50/598814850.db2.gz JJSMZGBEBLUUPN-UHFFFAOYSA-N -1 3 369.400 3.192 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cnc(C2CC2)s1 ZINC000736480830 598816851 /nfs/dbraw/zinc/81/68/51/598816851.db2.gz NNBQTUKLPURFGU-UHFFFAOYSA-N -1 3 368.466 3.253 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cnc(C2CC2)s1 ZINC000736480830 598816853 /nfs/dbraw/zinc/81/68/53/598816853.db2.gz NNBQTUKLPURFGU-UHFFFAOYSA-N -1 3 368.466 3.253 20 0 FGADHM C[C@@H]1SCCN(C(=O)c2ccc(-c3nnn[n-]3)cc2)[C@H]1c1ccccc1 ZINC000736303907 599302992 /nfs/dbraw/zinc/30/29/92/599302992.db2.gz UHENRHGTKOKQDM-SUMWQHHRSA-N -1 3 365.462 3.186 20 0 FGADHM C[C@@H]1SCCN(C(=O)c2ccc(-c3nn[n-]n3)cc2)[C@H]1c1ccccc1 ZINC000736303907 599302995 /nfs/dbraw/zinc/30/29/95/599302995.db2.gz UHENRHGTKOKQDM-SUMWQHHRSA-N -1 3 365.462 3.186 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1N1CCc2cccc(Br)c2C1 ZINC000737641133 599306478 /nfs/dbraw/zinc/30/64/78/599306478.db2.gz SDBZHANJUSDCOZ-UHFFFAOYSA-N -1 3 374.217 3.331 20 0 FGADHM C[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCO[C@H](c2cccc(F)c2)C1 ZINC000736197862 599314105 /nfs/dbraw/zinc/31/41/05/599314105.db2.gz CMBYQNGYJNSZRT-ACJLOTCBSA-N -1 3 353.401 3.140 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H]1C[C@@]12CCCc1ccccc12 ZINC000822216005 599319179 /nfs/dbraw/zinc/31/91/79/599319179.db2.gz BOASVCDBNZBYKH-DYESRHJHSA-N -1 3 359.433 3.408 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H]1C[C@@]12CCCc1ccccc12 ZINC000822216005 599319182 /nfs/dbraw/zinc/31/91/82/599319182.db2.gz BOASVCDBNZBYKH-DYESRHJHSA-N -1 3 359.433 3.408 20 0 FGADHM O=C(Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)[C@H]1CCCS1 ZINC000823368519 599321343 /nfs/dbraw/zinc/32/13/43/599321343.db2.gz ZKIOAGBIUPIEBD-MRXNPFEDSA-N -1 3 367.434 3.493 20 0 FGADHM O=C(Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)[C@H]1CCCS1 ZINC000823368519 599321344 /nfs/dbraw/zinc/32/13/44/599321344.db2.gz ZKIOAGBIUPIEBD-MRXNPFEDSA-N -1 3 367.434 3.493 20 0 FGADHM Cc1cc(N2CCOCC2)ccc1N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737270192 599324267 /nfs/dbraw/zinc/32/42/67/599324267.db2.gz BZTBZDFDBHTHHQ-OAHLLOKOSA-N -1 3 364.453 3.185 20 0 FGADHM Cc1cc(N2CCOCC2)ccc1N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737270192 599324271 /nfs/dbraw/zinc/32/42/71/599324271.db2.gz BZTBZDFDBHTHHQ-OAHLLOKOSA-N -1 3 364.453 3.185 20 0 FGADHM C[C@H](SCc1cn(-c2ccccc2)nn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736192835 599325644 /nfs/dbraw/zinc/32/56/44/599325644.db2.gz MPVHJECYHBRLDI-ZDUSSCGKSA-N -1 3 363.450 3.442 20 0 FGADHM C[C@H](SCc1cn(-c2ccccc2)nn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736192835 599325647 /nfs/dbraw/zinc/32/56/47/599325647.db2.gz MPVHJECYHBRLDI-ZDUSSCGKSA-N -1 3 363.450 3.442 20 0 FGADHM C[C@@H](S[C@H](C)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1ccccc1 ZINC000736187963 599330017 /nfs/dbraw/zinc/33/00/17/599330017.db2.gz FBHBCURIPRLPMR-ZIAGYGMSSA-N -1 3 367.478 3.366 20 0 FGADHM C[C@@H](S[C@H](C)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1ccccc1 ZINC000736187963 599330019 /nfs/dbraw/zinc/33/00/19/599330019.db2.gz FBHBCURIPRLPMR-ZIAGYGMSSA-N -1 3 367.478 3.366 20 0 FGADHM Cc1ccc(Oc2ccc(NCc3ccc(-c4nnn[n-]4)cc3)cc2)nn1 ZINC000737366523 599330620 /nfs/dbraw/zinc/33/06/20/599330620.db2.gz SANOWTOKEJOIRQ-UHFFFAOYSA-N -1 3 359.393 3.370 20 0 FGADHM Cc1ccc(Oc2ccc(NCc3ccc(-c4nn[n-]n4)cc3)cc2)nn1 ZINC000737366523 599330623 /nfs/dbraw/zinc/33/06/23/599330623.db2.gz SANOWTOKEJOIRQ-UHFFFAOYSA-N -1 3 359.393 3.370 20 0 FGADHM C[C@@H](SCC(=O)NCC1CCCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736189292 599333081 /nfs/dbraw/zinc/33/30/81/599333081.db2.gz OVAGYZCCRNVOMT-CYBMUJFWSA-N -1 3 359.499 3.357 20 0 FGADHM C[C@@H](SCC(=O)NCC1CCCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736189292 599333083 /nfs/dbraw/zinc/33/30/83/599333083.db2.gz OVAGYZCCRNVOMT-CYBMUJFWSA-N -1 3 359.499 3.357 20 0 FGADHM C[C@H](Sc1ccccc1-c1nnn[n-]1)C(=O)NCc1ccccc1Cl ZINC000820556902 599344399 /nfs/dbraw/zinc/34/43/99/599344399.db2.gz WDHSTNRBPXUURY-NSHDSACASA-N -1 3 373.869 3.317 20 0 FGADHM C[C@H](Sc1ccccc1-c1nn[n-]n1)C(=O)NCc1ccccc1Cl ZINC000820556902 599344401 /nfs/dbraw/zinc/34/44/01/599344401.db2.gz WDHSTNRBPXUURY-NSHDSACASA-N -1 3 373.869 3.317 20 0 FGADHM c1ccc(-c2nnn[n-]2)c(SCCCOc2ccc3c(c2)OCO3)c1 ZINC000823774026 599346435 /nfs/dbraw/zinc/34/64/35/599346435.db2.gz XTTAOMKXNPIOHD-UHFFFAOYSA-N -1 3 356.407 3.157 20 0 FGADHM c1ccc(-c2nn[n-]n2)c(SCCCOc2ccc3c(c2)OCO3)c1 ZINC000823774026 599346437 /nfs/dbraw/zinc/34/64/37/599346437.db2.gz XTTAOMKXNPIOHD-UHFFFAOYSA-N -1 3 356.407 3.157 20 0 FGADHM Brc1ccc(NC[C@H]2Cc3ccccc3O2)c(-c2nnn[n-]2)c1 ZINC000735369852 599360900 /nfs/dbraw/zinc/36/09/00/599360900.db2.gz YMHOXGNKFHCFBZ-GFCCVEGCSA-N -1 3 372.226 3.045 20 0 FGADHM Brc1ccc(NC[C@H]2Cc3ccccc3O2)c(-c2nn[n-]n2)c1 ZINC000735369852 599360902 /nfs/dbraw/zinc/36/09/02/599360902.db2.gz YMHOXGNKFHCFBZ-GFCCVEGCSA-N -1 3 372.226 3.045 20 0 FGADHM Brc1ccc(NC[C@@H]2Cc3ccccc3O2)c(-c2nnn[n-]2)c1 ZINC000735369853 599361510 /nfs/dbraw/zinc/36/15/10/599361510.db2.gz YMHOXGNKFHCFBZ-LBPRGKRZSA-N -1 3 372.226 3.045 20 0 FGADHM Brc1ccc(NC[C@@H]2Cc3ccccc3O2)c(-c2nn[n-]n2)c1 ZINC000735369853 599361513 /nfs/dbraw/zinc/36/15/13/599361513.db2.gz YMHOXGNKFHCFBZ-LBPRGKRZSA-N -1 3 372.226 3.045 20 0 FGADHM Cc1ccc(C=CS(=O)(=O)Oc2c(C)cc(-c3nnn[n-]3)cc2C)cc1 ZINC000822233994 599363680 /nfs/dbraw/zinc/36/36/80/599363680.db2.gz ZIJWPEFGMIEDFK-CMDGGOBGSA-N -1 3 370.434 3.171 20 0 FGADHM Cc1ccc(C=CS(=O)(=O)Oc2c(C)cc(-c3nn[n-]n3)cc2C)cc1 ZINC000822233994 599363682 /nfs/dbraw/zinc/36/36/82/599363682.db2.gz ZIJWPEFGMIEDFK-CMDGGOBGSA-N -1 3 370.434 3.171 20 0 FGADHM Fc1ccc(-c2nnn[n-]2)cc1CSc1ncccc1Br ZINC000737648848 599371033 /nfs/dbraw/zinc/37/10/33/599371033.db2.gz JIYHQUMSWDTCBN-UHFFFAOYSA-N -1 3 366.219 3.456 20 0 FGADHM Fc1ccc(-c2nn[n-]n2)cc1CSc1ncccc1Br ZINC000737648848 599371035 /nfs/dbraw/zinc/37/10/35/599371035.db2.gz JIYHQUMSWDTCBN-UHFFFAOYSA-N -1 3 366.219 3.456 20 0 FGADHM CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736963302 599378410 /nfs/dbraw/zinc/37/84/10/599378410.db2.gz RTMCIQUWYCYRAJ-MEDUHNTESA-N -1 3 371.828 3.026 20 0 FGADHM CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736963302 599378412 /nfs/dbraw/zinc/37/84/12/599378412.db2.gz RTMCIQUWYCYRAJ-MEDUHNTESA-N -1 3 371.828 3.026 20 0 FGADHM CSc1ccc(OCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)cc1 ZINC000821984413 599382119 /nfs/dbraw/zinc/38/21/19/599382119.db2.gz QEAFKMFYKOUINI-UHFFFAOYSA-N -1 3 366.406 3.218 20 0 FGADHM CSc1ccc(OCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)cc1 ZINC000821984413 599382122 /nfs/dbraw/zinc/38/21/22/599382122.db2.gz QEAFKMFYKOUINI-UHFFFAOYSA-N -1 3 366.406 3.218 20 0 FGADHM Cc1cc(Cl)ccc1OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000822202388 599382502 /nfs/dbraw/zinc/38/25/02/599382502.db2.gz XZLCBJVNSMNZRO-UHFFFAOYSA-N -1 3 368.784 3.458 20 0 FGADHM Cc1cc(Cl)ccc1OCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000822202388 599382505 /nfs/dbraw/zinc/38/25/05/599382505.db2.gz XZLCBJVNSMNZRO-UHFFFAOYSA-N -1 3 368.784 3.458 20 0 FGADHM Cc1ccc(-c2noc(COc3c(C)cc(-c4nn[n-]n4)cc3C)n2)cc1 ZINC000822223658 599386985 /nfs/dbraw/zinc/38/69/85/599386985.db2.gz GBXDSRURTXWUJX-UHFFFAOYSA-N -1 3 362.393 3.421 20 0 FGADHM c1ccc2c(c1)nc(N1CCC(OC3CCCC3)CC1)cc2-c1nnn[n-]1 ZINC000738433736 599424167 /nfs/dbraw/zinc/42/41/67/599424167.db2.gz UUVHRODHHNUZCU-UHFFFAOYSA-N -1 3 364.453 3.343 20 0 FGADHM c1ccc2c(c1)nc(N1CCC(OC3CCCC3)CC1)cc2-c1nn[n-]n1 ZINC000738433736 599424170 /nfs/dbraw/zinc/42/41/70/599424170.db2.gz UUVHRODHHNUZCU-UHFFFAOYSA-N -1 3 364.453 3.343 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1CSc1nnc(-c2ccccc2)o1 ZINC000821752056 607376550 /nfs/dbraw/zinc/37/65/50/607376550.db2.gz FPQOUCCFPVWMOD-UHFFFAOYSA-N -1 3 366.406 3.218 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1CSc1nnc(-c2ccccc2)o1 ZINC000821752056 607376552 /nfs/dbraw/zinc/37/65/52/607376552.db2.gz FPQOUCCFPVWMOD-UHFFFAOYSA-N -1 3 366.406 3.218 20 0 FGADHM C[C@@H](CCNC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000820240495 599426862 /nfs/dbraw/zinc/42/68/62/599426862.db2.gz BZCGKTYCMMGBNF-GJZGRUSLSA-N -1 3 364.453 3.421 20 0 FGADHM C[C@@H](CCNC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000820240495 599426866 /nfs/dbraw/zinc/42/68/66/599426866.db2.gz BZCGKTYCMMGBNF-GJZGRUSLSA-N -1 3 364.453 3.421 20 0 FGADHM COc1ccc(CN(C)c2cc(-c3nnn[n-]3)c3ccccc3n2)cc1C ZINC000737090288 599427272 /nfs/dbraw/zinc/42/72/72/599427272.db2.gz FEFWNQNBFNWSEH-UHFFFAOYSA-N -1 3 360.421 3.368 20 0 FGADHM COc1ccc(CN(C)c2cc(-c3nn[n-]n3)c3ccccc3n2)cc1C ZINC000737090288 599427274 /nfs/dbraw/zinc/42/72/74/599427274.db2.gz FEFWNQNBFNWSEH-UHFFFAOYSA-N -1 3 360.421 3.368 20 0 FGADHM c1ccc2c(c1)nc(NCc1ccc3c(c1)OCCCO3)cc2-c1nnn[n-]1 ZINC000738432002 599428365 /nfs/dbraw/zinc/42/83/65/599428365.db2.gz BFZVUESVXZVMBB-UHFFFAOYSA-N -1 3 374.404 3.188 20 0 FGADHM c1ccc2c(c1)nc(NCc1ccc3c(c1)OCCCO3)cc2-c1nn[n-]n1 ZINC000738432002 599428368 /nfs/dbraw/zinc/42/83/68/599428368.db2.gz BFZVUESVXZVMBB-UHFFFAOYSA-N -1 3 374.404 3.188 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1COc1ccc(F)c2c1C(=O)C[C@H]2C ZINC000821749274 607377581 /nfs/dbraw/zinc/37/75/81/607377581.db2.gz DOXYCIFQMSDQEN-SNVBAGLBSA-N -1 3 368.368 3.283 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1COc1ccc(F)c2c1C(=O)C[C@H]2C ZINC000821749274 607377583 /nfs/dbraw/zinc/37/75/83/607377583.db2.gz DOXYCIFQMSDQEN-SNVBAGLBSA-N -1 3 368.368 3.283 20 0 FGADHM O=C(C1CCC1)N(CCCNc1cc(Cl)ccc1-c1nnn[n-]1)C1CC1 ZINC000737785475 599434655 /nfs/dbraw/zinc/43/46/55/599434655.db2.gz PWTLKSSSTIZLFO-UHFFFAOYSA-N -1 3 374.876 3.113 20 0 FGADHM O=C(C1CCC1)N(CCCNc1cc(Cl)ccc1-c1nn[n-]n1)C1CC1 ZINC000737785475 599434656 /nfs/dbraw/zinc/43/46/56/599434656.db2.gz PWTLKSSSTIZLFO-UHFFFAOYSA-N -1 3 374.876 3.113 20 0 FGADHM c1cc(-c2nnn[n-]2)oc1CN[C@@H](COc1ccccc1)c1ccccc1 ZINC000823791330 599435639 /nfs/dbraw/zinc/43/56/39/599435639.db2.gz BLMPCMHYQOZQJL-SFHVURJKSA-N -1 3 361.405 3.370 20 0 FGADHM c1cc(-c2nn[n-]n2)oc1CN[C@@H](COc1ccccc1)c1ccccc1 ZINC000823791330 599435641 /nfs/dbraw/zinc/43/56/41/599435641.db2.gz BLMPCMHYQOZQJL-SFHVURJKSA-N -1 3 361.405 3.370 20 0 FGADHM CC(C)Oc1ccc([C@@H](O)CNc2cc(Cl)ccc2-c2nnn[n-]2)cc1 ZINC000735914681 599437901 /nfs/dbraw/zinc/43/79/01/599437901.db2.gz IGEAEFZHGYZDJX-KRWDZBQOSA-N -1 3 373.844 3.453 20 0 FGADHM CC(C)Oc1ccc([C@@H](O)CNc2cc(Cl)ccc2-c2nn[n-]n2)cc1 ZINC000735914681 599437902 /nfs/dbraw/zinc/43/79/02/599437902.db2.gz IGEAEFZHGYZDJX-KRWDZBQOSA-N -1 3 373.844 3.453 20 0 FGADHM Fc1ccccc1C1CCN(c2nc3c(cc2-c2nnn[n-]2)CCC3)CC1 ZINC000737663248 599441529 /nfs/dbraw/zinc/44/15/29/599441529.db2.gz IDAAPJOIAUSLRN-UHFFFAOYSA-N -1 3 364.428 3.274 20 0 FGADHM Fc1ccccc1C1CCN(c2nc3c(cc2-c2nn[n-]n2)CCC3)CC1 ZINC000737663248 599441531 /nfs/dbraw/zinc/44/15/31/599441531.db2.gz IDAAPJOIAUSLRN-UHFFFAOYSA-N -1 3 364.428 3.274 20 0 FGADHM CCC1CCC(CNC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000820972956 599443458 /nfs/dbraw/zinc/44/34/58/599443458.db2.gz SHCAYOXTYOWUGY-WLYUNCDWSA-N -1 3 356.474 3.443 20 0 FGADHM CCC1CCC(CNC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000820972956 599443461 /nfs/dbraw/zinc/44/34/61/599443461.db2.gz SHCAYOXTYOWUGY-WLYUNCDWSA-N -1 3 356.474 3.443 20 0 FGADHM FC(F)Oc1ccc2ncc(-c3nnn[n-]3)c(NCCCC3CC3)c2c1 ZINC000737639310 599443965 /nfs/dbraw/zinc/44/39/65/599443965.db2.gz QXGWWDMAQGHQBM-UHFFFAOYSA-N -1 3 360.368 3.040 20 0 FGADHM FC(F)Oc1ccc2ncc(-c3nn[n-]n3)c(NCCCC3CC3)c2c1 ZINC000737639310 599443969 /nfs/dbraw/zinc/44/39/69/599443969.db2.gz QXGWWDMAQGHQBM-UHFFFAOYSA-N -1 3 360.368 3.040 20 0 FGADHM CCCCc1noc([C@@H](C)SCCOc2cccc(-c3nnn[n-]3)c2)n1 ZINC000736466828 599451378 /nfs/dbraw/zinc/45/13/78/599451378.db2.gz OVEVMNLFZRIESD-GFCCVEGCSA-N -1 3 374.470 3.466 20 0 FGADHM CCCCc1noc([C@@H](C)SCCOc2cccc(-c3nn[n-]n3)c2)n1 ZINC000736466828 599451381 /nfs/dbraw/zinc/45/13/81/599451381.db2.gz OVEVMNLFZRIESD-GFCCVEGCSA-N -1 3 374.470 3.466 20 0 FGADHM Cn1ccnc1[C@H](Nc1ccc(F)cc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000822694178 599468146 /nfs/dbraw/zinc/46/81/46/599468146.db2.gz YAGNFDXCNNIQJD-MRXNPFEDSA-N -1 3 367.363 3.080 20 0 FGADHM Cn1ccnc1[C@H](Nc1ccc(F)cc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000822694178 599468147 /nfs/dbraw/zinc/46/81/47/599468147.db2.gz YAGNFDXCNNIQJD-MRXNPFEDSA-N -1 3 367.363 3.080 20 0 FGADHM C[C@@H](NC(=O)N1CCC2(CCCC2)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820340486 599472939 /nfs/dbraw/zinc/47/29/39/599472939.db2.gz LKEAVGKMGHUAGT-CQSZACIVSA-N -1 3 354.458 3.294 20 0 FGADHM C[C@@H](NC(=O)N1CCC2(CCCC2)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820340486 599472941 /nfs/dbraw/zinc/47/29/41/599472941.db2.gz LKEAVGKMGHUAGT-CQSZACIVSA-N -1 3 354.458 3.294 20 0 FGADHM COCCOc1ccc(CNc2c(Cl)cccc2-c2nnn[n-]2)cc1 ZINC000821693602 599474578 /nfs/dbraw/zinc/47/45/78/599474578.db2.gz GASMVRRUMHCGTM-UHFFFAOYSA-N -1 3 359.817 3.157 20 0 FGADHM COCCOc1ccc(CNc2c(Cl)cccc2-c2nn[n-]n2)cc1 ZINC000821693602 599474579 /nfs/dbraw/zinc/47/45/79/599474579.db2.gz GASMVRRUMHCGTM-UHFFFAOYSA-N -1 3 359.817 3.157 20 0 FGADHM CC[C@H](c1ccncc1)N(C)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820944756 599476972 /nfs/dbraw/zinc/47/69/72/599476972.db2.gz NWQHVBVENNFTHF-SUMWQHHRSA-N -1 3 365.441 3.115 20 0 FGADHM CC[C@H](c1ccncc1)N(C)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820944756 599476975 /nfs/dbraw/zinc/47/69/75/599476975.db2.gz NWQHVBVENNFTHF-SUMWQHHRSA-N -1 3 365.441 3.115 20 0 FGADHM COc1cccc(CCNc2c(Cl)cccc2-c2nnn[n-]2)c1OC ZINC000821868736 599485412 /nfs/dbraw/zinc/48/54/12/599485412.db2.gz VERHDBXXDIZIBX-UHFFFAOYSA-N -1 3 359.817 3.192 20 0 FGADHM COc1cccc(CCNc2c(Cl)cccc2-c2nn[n-]n2)c1OC ZINC000821868736 599485413 /nfs/dbraw/zinc/48/54/13/599485413.db2.gz VERHDBXXDIZIBX-UHFFFAOYSA-N -1 3 359.817 3.192 20 0 FGADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N[C@H](C)c1nc2ccccc2[nH]1 ZINC000822337582 599496235 /nfs/dbraw/zinc/49/62/35/599496235.db2.gz YNRXRRKVZQKZCB-GFCCVEGCSA-N -1 3 370.420 3.195 20 0 FGADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N[C@H](C)c1nc2ccccc2[nH]1 ZINC000822337582 599496239 /nfs/dbraw/zinc/49/62/39/599496239.db2.gz YNRXRRKVZQKZCB-GFCCVEGCSA-N -1 3 370.420 3.195 20 0 FGADHM CN(C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1)C1CC1 ZINC000736749130 599501312 /nfs/dbraw/zinc/50/13/12/599501312.db2.gz LUIYSZRIPZEXGC-UHFFFAOYSA-N -1 3 350.382 3.285 20 0 FGADHM CN(C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1)C1CC1 ZINC000736749130 599501314 /nfs/dbraw/zinc/50/13/14/599501314.db2.gz LUIYSZRIPZEXGC-UHFFFAOYSA-N -1 3 350.382 3.285 20 0 FGADHM Cc1cccc(C(C)(C)NC(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737385057 599502723 /nfs/dbraw/zinc/50/27/23/599502723.db2.gz RCVGGARHLUANJT-CQSZACIVSA-N -1 3 364.453 3.471 20 0 FGADHM Cc1cccc(C(C)(C)NC(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737385057 599502726 /nfs/dbraw/zinc/50/27/26/599502726.db2.gz RCVGGARHLUANJT-CQSZACIVSA-N -1 3 364.453 3.471 20 0 FGADHM C[C@H](NC(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820321421 599503413 /nfs/dbraw/zinc/50/34/13/599503413.db2.gz FZPCQKHQEYWTGQ-LKTVYLICSA-N -1 3 369.375 3.126 20 0 FGADHM C[C@H](NC(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820321421 599503416 /nfs/dbraw/zinc/50/34/16/599503416.db2.gz FZPCQKHQEYWTGQ-LKTVYLICSA-N -1 3 369.375 3.126 20 0 FGADHM C[C@@H](NC(=O)C[C@H]1CCOc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820323837 599506386 /nfs/dbraw/zinc/50/63/86/599506386.db2.gz ZKVUISRCQITKKW-UKRRQHHQSA-N -1 3 363.421 3.000 20 0 FGADHM C[C@@H](NC(=O)C[C@H]1CCOc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820323837 599506388 /nfs/dbraw/zinc/50/63/88/599506388.db2.gz ZKVUISRCQITKKW-UKRRQHHQSA-N -1 3 363.421 3.000 20 0 FGADHM Cc1nc(CCNc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)cs1 ZINC000737472781 599519319 /nfs/dbraw/zinc/51/93/19/599519319.db2.gz ZLYBYYULGNBJRS-UHFFFAOYSA-N -1 3 354.361 3.305 20 0 FGADHM CSCc1ccc(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821970355 599524476 /nfs/dbraw/zinc/52/44/76/599524476.db2.gz MSPVKGBOKMPIHH-GFCCVEGCSA-N -1 3 353.451 3.221 20 0 FGADHM CSCc1ccc(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821970355 599524479 /nfs/dbraw/zinc/52/44/79/599524479.db2.gz MSPVKGBOKMPIHH-GFCCVEGCSA-N -1 3 353.451 3.221 20 0 FGADHM Cc1oc(-c2ccccc2F)nc1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000119184670 599537937 /nfs/dbraw/zinc/53/79/37/599537937.db2.gz WUKJXVCSNAWULE-UHFFFAOYSA-N -1 3 364.340 3.222 20 0 FGADHM Cc1oc(-c2ccccc2F)nc1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000119184670 599537941 /nfs/dbraw/zinc/53/79/41/599537941.db2.gz WUKJXVCSNAWULE-UHFFFAOYSA-N -1 3 364.340 3.222 20 0 FGADHM C[C@H](NC(=O)[C@@H]1SCCc2sccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820322371 599540863 /nfs/dbraw/zinc/54/08/63/599540863.db2.gz ROSDAIBHNPWDOQ-ZUZCIYMTSA-N -1 3 371.491 3.136 20 0 FGADHM C[C@H](NC(=O)[C@@H]1SCCc2sccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820322371 599540865 /nfs/dbraw/zinc/54/08/65/599540865.db2.gz ROSDAIBHNPWDOQ-ZUZCIYMTSA-N -1 3 371.491 3.136 20 0 FGADHM CCN(C(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1)C1CCC1 ZINC000736509393 599548098 /nfs/dbraw/zinc/54/80/98/599548098.db2.gz XHAVNEPGFPZJQT-UHFFFAOYSA-N -1 3 367.409 3.053 20 0 FGADHM CCN(C(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1)C1CCC1 ZINC000736509393 599548101 /nfs/dbraw/zinc/54/81/01/599548101.db2.gz XHAVNEPGFPZJQT-UHFFFAOYSA-N -1 3 367.409 3.053 20 0 FGADHM Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000737422699 599548852 /nfs/dbraw/zinc/54/88/52/599548852.db2.gz RHWATJMMWUBBHM-CRAIPNDOSA-N -1 3 361.449 3.122 20 0 FGADHM Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737422699 599548855 /nfs/dbraw/zinc/54/88/55/599548855.db2.gz RHWATJMMWUBBHM-CRAIPNDOSA-N -1 3 361.449 3.122 20 0 FGADHM CC[C@@H](NC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C)c1ccncc1 ZINC000820919851 599550870 /nfs/dbraw/zinc/55/08/70/599550870.db2.gz GXNIKARFVLYGLJ-CQSZACIVSA-N -1 3 368.445 3.091 20 0 FGADHM CC[C@@H](NC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C)c1ccncc1 ZINC000820919851 599550872 /nfs/dbraw/zinc/55/08/72/599550872.db2.gz GXNIKARFVLYGLJ-CQSZACIVSA-N -1 3 368.445 3.091 20 0 FGADHM C[C@H](C1CC1)N(C)C(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735963702 599563853 /nfs/dbraw/zinc/56/38/53/599563853.db2.gz KFEWBVBMQJAMGX-CYBMUJFWSA-N -1 3 362.437 3.481 20 0 FGADHM Cc1ccc(N(C)Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)cc1C ZINC000822241385 599565496 /nfs/dbraw/zinc/56/54/96/599565496.db2.gz UMICJZREVRWIDY-UHFFFAOYSA-N -1 3 361.409 3.170 20 0 FGADHM Cc1ccc(N(C)Cc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)cc1C ZINC000822241385 599565498 /nfs/dbraw/zinc/56/54/98/599565498.db2.gz UMICJZREVRWIDY-UHFFFAOYSA-N -1 3 361.409 3.170 20 0 FGADHM CCN(Cc1csc(COC)n1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821230525 599567147 /nfs/dbraw/zinc/56/71/47/599567147.db2.gz MNNGCPPXFAHCMT-GFCCVEGCSA-N -1 3 358.471 3.053 20 0 FGADHM CCN(Cc1csc(COC)n1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821230525 599567149 /nfs/dbraw/zinc/56/71/49/599567149.db2.gz MNNGCPPXFAHCMT-GFCCVEGCSA-N -1 3 358.471 3.053 20 0 FGADHM C[C@@H]1c2ccccc2CCN1Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000820827821 599573762 /nfs/dbraw/zinc/57/37/62/599573762.db2.gz YIOIGLQACBRALZ-CYBMUJFWSA-N -1 3 373.420 3.036 20 0 FGADHM C[C@@H]1c2ccccc2CCN1Cc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000820827821 599573764 /nfs/dbraw/zinc/57/37/64/599573764.db2.gz YIOIGLQACBRALZ-CYBMUJFWSA-N -1 3 373.420 3.036 20 0 FGADHM CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)OCc1cccc(-c2nnn[n-]2)c1 ZINC000820939032 599623129 /nfs/dbraw/zinc/62/31/29/599623129.db2.gz PBHTXPGLAMTWPQ-COXVUDFISA-N -1 3 358.442 3.284 20 0 FGADHM CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)OCc1cccc(-c2nn[n-]n2)c1 ZINC000820939032 599623130 /nfs/dbraw/zinc/62/31/30/599623130.db2.gz PBHTXPGLAMTWPQ-COXVUDFISA-N -1 3 358.442 3.284 20 0 FGADHM CC(C)[C@H](C(=O)OCCOc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000820015979 599623659 /nfs/dbraw/zinc/62/36/59/599623659.db2.gz ILPOHIVMTRWPBR-SFHVURJKSA-N -1 3 366.421 3.229 20 0 FGADHM C[C@@H]1CC(OC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)C[C@@H](C)C1 ZINC000820650151 599625200 /nfs/dbraw/zinc/62/52/00/599625200.db2.gz QYJCLJUSRBZTOH-STQMWFEESA-N -1 3 360.483 3.468 20 0 FGADHM C[C@@H]1CC(OC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)C[C@@H](C)C1 ZINC000820650151 599625201 /nfs/dbraw/zinc/62/52/01/599625201.db2.gz QYJCLJUSRBZTOH-STQMWFEESA-N -1 3 360.483 3.468 20 0 FGADHM CC[C@H](Cc1ccc(C)cc1)OC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000820913862 599625915 /nfs/dbraw/zinc/62/59/15/599625915.db2.gz LBMASKZJLFAVGQ-GOSISDBHSA-N -1 3 350.422 3.282 20 0 FGADHM CC[C@H](Cc1ccc(C)cc1)OC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000820913862 599625916 /nfs/dbraw/zinc/62/59/16/599625916.db2.gz LBMASKZJLFAVGQ-GOSISDBHSA-N -1 3 350.422 3.282 20 0 FGADHM C[C@H]1CCc2c(sc(NC(=O)CCC(F)(F)F)c2-c2nnn[n-]2)C1 ZINC000820727183 599628338 /nfs/dbraw/zinc/62/83/38/599628338.db2.gz IFDJRCCIXKCZTJ-ZETCQYMHSA-N -1 3 359.377 3.334 20 0 FGADHM C[C@H]1CCc2c(sc(NC(=O)CCC(F)(F)F)c2-c2nn[n-]n2)C1 ZINC000820727183 599628339 /nfs/dbraw/zinc/62/83/39/599628339.db2.gz IFDJRCCIXKCZTJ-ZETCQYMHSA-N -1 3 359.377 3.334 20 0 FGADHM CCc1c(C)sc(NC(=O)Cc2cc(F)ccc2F)c1-c1nnn[n-]1 ZINC000821466477 599631400 /nfs/dbraw/zinc/63/14/00/599631400.db2.gz XRBNTJHPYWPEGX-UHFFFAOYSA-N -1 3 363.393 3.258 20 0 FGADHM CCc1c(C)sc(NC(=O)Cc2cc(F)ccc2F)c1-c1nn[n-]n1 ZINC000821466477 599631401 /nfs/dbraw/zinc/63/14/01/599631401.db2.gz XRBNTJHPYWPEGX-UHFFFAOYSA-N -1 3 363.393 3.258 20 0 FGADHM Cc1ccc(SCCOC(=O)c2cccc(-c3nnn[n-]3)c2)cc1C ZINC000822270955 599648330 /nfs/dbraw/zinc/64/83/30/599648330.db2.gz FOAFZRHUESHMJN-UHFFFAOYSA-N -1 3 354.435 3.433 20 0 FGADHM Cc1ccc(SCCOC(=O)c2cccc(-c3nn[n-]n3)c2)cc1C ZINC000822270955 599648331 /nfs/dbraw/zinc/64/83/31/599648331.db2.gz FOAFZRHUESHMJN-UHFFFAOYSA-N -1 3 354.435 3.433 20 0 FGADHM Cc1c(F)cccc1NC(=O)CCSc1ccc(-c2nnn[n-]2)cc1 ZINC000822034968 599657534 /nfs/dbraw/zinc/65/75/34/599657534.db2.gz NDCCGILSTLDPHH-UHFFFAOYSA-N -1 3 357.414 3.435 20 0 FGADHM Cc1c(F)cccc1NC(=O)CCSc1ccc(-c2nn[n-]n2)cc1 ZINC000822034968 599657535 /nfs/dbraw/zinc/65/75/35/599657535.db2.gz NDCCGILSTLDPHH-UHFFFAOYSA-N -1 3 357.414 3.435 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)[C@@H]1CCSc2ccccc21 ZINC000823426221 599667758 /nfs/dbraw/zinc/66/77/58/599667758.db2.gz DMCHHRVGMHPVOD-CQSZACIVSA-N -1 3 370.409 3.329 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)[C@@H]1CCSc2ccccc21 ZINC000823426221 599667759 /nfs/dbraw/zinc/66/77/59/599667759.db2.gz DMCHHRVGMHPVOD-CQSZACIVSA-N -1 3 370.409 3.329 20 0 FGADHM CC(C)[C@H](C(=O)OCc1cc(-c2nnn[n-]2)ccc1F)c1ccccc1 ZINC000820016150 599669441 /nfs/dbraw/zinc/66/94/41/599669441.db2.gz KALNWNPQJGEHJQ-KRWDZBQOSA-N -1 3 354.385 3.489 20 0 FGADHM CC(C)[C@H](C(=O)OCc1cc(-c2nn[n-]n2)ccc1F)c1ccccc1 ZINC000820016150 599669442 /nfs/dbraw/zinc/66/94/42/599669442.db2.gz KALNWNPQJGEHJQ-KRWDZBQOSA-N -1 3 354.385 3.489 20 0 FGADHM C[C@H](CCOc1ccccc1)C(=O)OCc1ccc(-c2nnn[n-]2)cc1F ZINC000820248485 599672423 /nfs/dbraw/zinc/67/24/23/599672423.db2.gz IRTMGLXHHFTIRX-CYBMUJFWSA-N -1 3 370.384 3.154 20 0 FGADHM C[C@H](CCOc1ccccc1)C(=O)OCc1ccc(-c2nn[n-]n2)cc1F ZINC000820248485 599672424 /nfs/dbraw/zinc/67/24/24/599672424.db2.gz IRTMGLXHHFTIRX-CYBMUJFWSA-N -1 3 370.384 3.154 20 0 FGADHM C[C@@H](CCOc1ccccc1)C(=O)OCc1ccc(-c2nnn[n-]2)cc1F ZINC000820248486 599672654 /nfs/dbraw/zinc/67/26/54/599672654.db2.gz IRTMGLXHHFTIRX-ZDUSSCGKSA-N -1 3 370.384 3.154 20 0 FGADHM C[C@@H](CCOc1ccccc1)C(=O)OCc1ccc(-c2nn[n-]n2)cc1F ZINC000820248486 599672655 /nfs/dbraw/zinc/67/26/55/599672655.db2.gz IRTMGLXHHFTIRX-ZDUSSCGKSA-N -1 3 370.384 3.154 20 0 FGADHM CCC[C@@]1(C)CCCN(C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC000821027140 599678690 /nfs/dbraw/zinc/67/86/90/599678690.db2.gz KPNTVAUTRLCGNF-SFHVURJKSA-N -1 3 360.437 3.118 20 0 FGADHM CCC[C@@]1(C)CCCN(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC000821027140 599678691 /nfs/dbraw/zinc/67/86/91/599678691.db2.gz KPNTVAUTRLCGNF-SFHVURJKSA-N -1 3 360.437 3.118 20 0 FGADHM Cc1ccc2[nH]cc(CCC(=O)OCc3ccc(-c4nnn[n-]4)cc3)c2c1 ZINC000822275387 599695072 /nfs/dbraw/zinc/69/50/72/599695072.db2.gz SOVDFHJSUJSPAW-UHFFFAOYSA-N -1 3 361.405 3.332 20 0 FGADHM Cc1ccc2[nH]cc(CCC(=O)OCc3ccc(-c4nn[n-]n4)cc3)c2c1 ZINC000822275387 599695073 /nfs/dbraw/zinc/69/50/73/599695073.db2.gz SOVDFHJSUJSPAW-UHFFFAOYSA-N -1 3 361.405 3.332 20 0 FGADHM O=C([O-])[C@@H](c1ccc(F)cc1)N1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000739489320 599712011 /nfs/dbraw/zinc/71/20/11/599712011.db2.gz RLQJVNKLIZWRKZ-GOSISDBHSA-N -1 3 371.412 3.238 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)[C@@H]1C[C@@H]1c1sccc1C ZINC000826184278 607390637 /nfs/dbraw/zinc/39/06/37/607390637.db2.gz QZBQLZLYBAJAOS-UONOGXRCSA-N -1 3 370.434 3.092 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)[C@@H]1C[C@@H]1c1sccc1C ZINC000826184278 607390639 /nfs/dbraw/zinc/39/06/39/607390639.db2.gz QZBQLZLYBAJAOS-UONOGXRCSA-N -1 3 370.434 3.092 20 0 FGADHM COc1cccc(CN(Cc2occc2C(=O)[O-])C2CCC(O)CC2)c1 ZINC000738097235 599799609 /nfs/dbraw/zinc/79/96/09/599799609.db2.gz MTDOQTCNBRHATF-UHFFFAOYSA-N -1 3 359.422 3.292 20 0 FGADHM CC(C)Oc1ccc(NC(=O)C[C@H](C)c2cccnc2)cc1-c1nnn[n-]1 ZINC000820159998 607396512 /nfs/dbraw/zinc/39/65/12/607396512.db2.gz CKWRDEAKYOQVPT-ZDUSSCGKSA-N -1 3 366.425 3.181 20 0 FGADHM CC(C)Oc1ccc(NC(=O)C[C@H](C)c2cccnc2)cc1-c1nn[n-]n1 ZINC000820159998 607396514 /nfs/dbraw/zinc/39/65/14/607396514.db2.gz CKWRDEAKYOQVPT-ZDUSSCGKSA-N -1 3 366.425 3.181 20 0 FGADHM CC(C)Oc1ccc(NC(=O)Cc2ccc(F)cc2F)cc1-c1nnn[n-]1 ZINC000820164188 607402064 /nfs/dbraw/zinc/40/20/64/607402064.db2.gz GSTRDFHCWLNQOG-UHFFFAOYSA-N -1 3 373.363 3.113 20 0 FGADHM CC(C)Oc1ccc(NC(=O)Cc2ccc(F)cc2F)cc1-c1nn[n-]n1 ZINC000820164188 607402065 /nfs/dbraw/zinc/40/20/65/607402065.db2.gz GSTRDFHCWLNQOG-UHFFFAOYSA-N -1 3 373.363 3.113 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC000826253169 607404422 /nfs/dbraw/zinc/40/44/22/607404422.db2.gz HHRYXNZWXHVTNZ-IAGOWNOFSA-N -1 3 352.369 3.161 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC000826253169 607404423 /nfs/dbraw/zinc/40/44/23/607404423.db2.gz HHRYXNZWXHVTNZ-IAGOWNOFSA-N -1 3 352.369 3.161 20 0 FGADHM CN(C)CCN(CCc1ccccc1)C(=O)c1cccc(NC(=O)[O-])c1 ZINC000737368911 599905045 /nfs/dbraw/zinc/90/50/45/599905045.db2.gz BOTBMFZTWPXDAW-UHFFFAOYSA-N -1 3 355.438 3.023 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)Cc1c[nH]c2cc(F)ccc12 ZINC000826253970 607406966 /nfs/dbraw/zinc/40/69/66/607406966.db2.gz NHRQMCXUZLIQOM-UHFFFAOYSA-N -1 3 365.368 3.081 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)Cc1c[nH]c2cc(F)ccc12 ZINC000826253970 607406968 /nfs/dbraw/zinc/40/69/68/607406968.db2.gz NHRQMCXUZLIQOM-UHFFFAOYSA-N -1 3 365.368 3.081 20 0 FGADHM Cc1ccc(C(=O)CCC(=O)OCc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000826281520 607407279 /nfs/dbraw/zinc/40/72/79/607407279.db2.gz WSNSTKOPVWUFCX-UHFFFAOYSA-N -1 3 364.405 3.190 20 0 FGADHM Cc1ccc(C(=O)CCC(=O)OCc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000826281520 607407281 /nfs/dbraw/zinc/40/72/81/607407281.db2.gz WSNSTKOPVWUFCX-UHFFFAOYSA-N -1 3 364.405 3.190 20 0 FGADHM CSc1ccc(C(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC000826230336 607414414 /nfs/dbraw/zinc/41/44/14/607414414.db2.gz ODZMONQMNFXGBP-UHFFFAOYSA-N -1 3 351.435 3.008 20 0 FGADHM CSc1ccc(C(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000826230336 607414416 /nfs/dbraw/zinc/41/44/16/607414416.db2.gz ODZMONQMNFXGBP-UHFFFAOYSA-N -1 3 351.435 3.008 20 0 FGADHM CN1CCC(N(Cc2ccco2)C(=O)CCc2ccc(C(=O)[O-])cc2)CC1 ZINC000737515632 600036888 /nfs/dbraw/zinc/03/68/88/600036888.db2.gz YXDAKOANNCBHMD-UHFFFAOYSA-N -1 3 370.449 3.033 20 0 FGADHM O=C([O-])c1ccc(CCC(=O)N2CCCN(Cc3ccccc3)CC2)cc1 ZINC000740122440 600061711 /nfs/dbraw/zinc/06/17/11/600061711.db2.gz DRAJXIOYPAVDEU-UHFFFAOYSA-N -1 3 366.461 3.052 20 0 FGADHM Cc1ccc([C@H](CNC(=O)CCc2ccc(C(=O)[O-])cc2)N(C)C)cc1 ZINC000738554207 600065911 /nfs/dbraw/zinc/06/59/11/600065911.db2.gz KHVZJWHUWXICGV-IBGZPJMESA-N -1 3 354.450 3.045 20 0 FGADHM Cc1oc(C(=O)[O-])cc1CN1CCC(n2cc(Br)cn2)CC1 ZINC000738957692 600080577 /nfs/dbraw/zinc/08/05/77/600080577.db2.gz LYCWYHGOAAGLJT-UHFFFAOYSA-N -1 3 368.231 3.082 20 0 FGADHM CC(C)=C[C@H]1[C@H](C(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)C1(C)C ZINC000824177371 607418800 /nfs/dbraw/zinc/41/88/00/607418800.db2.gz HOPRNFLFFLTASO-JKSUJKDBSA-N -1 3 351.454 3.210 20 0 FGADHM CC(C)=C[C@H]1[C@H](C(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)C1(C)C ZINC000824177371 607418802 /nfs/dbraw/zinc/41/88/02/607418802.db2.gz HOPRNFLFFLTASO-JKSUJKDBSA-N -1 3 351.454 3.210 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)C/C=C\c1ccc(F)cc1 ZINC000821741360 607420061 /nfs/dbraw/zinc/42/00/61/607420061.db2.gz LFBSCKCGCHXGGH-IHWYPQMZSA-N -1 3 368.368 3.161 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)C/C=C\c1ccc(F)cc1 ZINC000821741360 607420063 /nfs/dbraw/zinc/42/00/63/607420063.db2.gz LFBSCKCGCHXGGH-IHWYPQMZSA-N -1 3 368.368 3.161 20 0 FGADHM CC(C)[C@@H](NCC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-])c1ccccc1 ZINC000736388671 600117623 /nfs/dbraw/zinc/11/76/23/600117623.db2.gz BZJIBWYMCQRXCA-TZIWHRDSSA-N -1 3 366.461 3.011 20 0 FGADHM CC(C)Oc1ccc(NC(=O)N(C)[C@H](C)C2(C)CC2)cc1-c1nnn[n-]1 ZINC000820166312 607428989 /nfs/dbraw/zinc/42/89/89/607428989.db2.gz VSJCJTSSVHJBIN-GFCCVEGCSA-N -1 3 358.446 3.306 20 0 FGADHM CC(C)Oc1ccc(NC(=O)N(C)[C@H](C)C2(C)CC2)cc1-c1nn[n-]n1 ZINC000820166312 607428991 /nfs/dbraw/zinc/42/89/91/607428991.db2.gz VSJCJTSSVHJBIN-GFCCVEGCSA-N -1 3 358.446 3.306 20 0 FGADHM Cc1c2cccc(F)c2oc1C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826234380 607437631 /nfs/dbraw/zinc/43/76/31/607437631.db2.gz SYGMLJOLEIGHPR-UHFFFAOYSA-N -1 3 351.341 3.337 20 0 FGADHM Cc1c2cccc(F)c2oc1C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826234380 607437633 /nfs/dbraw/zinc/43/76/33/607437633.db2.gz SYGMLJOLEIGHPR-UHFFFAOYSA-N -1 3 351.341 3.337 20 0 FGADHM Cc1cc(O[C@H](C)C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)ccc1Cl ZINC000826271918 607439238 /nfs/dbraw/zinc/43/92/38/607439238.db2.gz MVESVFPHKCRHTG-GFCCVEGCSA-N -1 3 371.828 3.259 20 0 FGADHM Cc1cc(O[C@H](C)C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)ccc1Cl ZINC000826271918 607439240 /nfs/dbraw/zinc/43/92/40/607439240.db2.gz MVESVFPHKCRHTG-GFCCVEGCSA-N -1 3 371.828 3.259 20 0 FGADHM CCN1CCN(c2ccc(C(=O)Nc3cc(C(=O)[O-])ccc3C)cc2)CC1 ZINC000737115030 600386352 /nfs/dbraw/zinc/38/63/52/600386352.db2.gz GIQUIAXONZKCLR-UHFFFAOYSA-N -1 3 367.449 3.087 20 0 FGADHM CC(C)Oc1ccc(NC(=O)c2cccc3[nH]ccc32)cc1-c1nnn[n-]1 ZINC000820173410 607440797 /nfs/dbraw/zinc/44/07/97/607440797.db2.gz FHAVBJOWLDOHRT-UHFFFAOYSA-N -1 3 362.393 3.388 20 0 FGADHM CC(C)Oc1ccc(NC(=O)c2cccc3[nH]ccc32)cc1-c1nn[n-]n1 ZINC000820173410 607440799 /nfs/dbraw/zinc/44/07/99/607440799.db2.gz FHAVBJOWLDOHRT-UHFFFAOYSA-N -1 3 362.393 3.388 20 0 FGADHM O=C([O-])Nc1ccc(CNC(=O)CN2CCC[C@@]3(CC=CCC3)C2)cc1 ZINC000740025714 600450058 /nfs/dbraw/zinc/45/00/58/600450058.db2.gz VAPNUFRBAIVJCQ-FQEVSTJZSA-N -1 3 357.454 3.215 20 0 FGADHM CC[C@@H](OC1CCCCC1)C(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000825154930 607446690 /nfs/dbraw/zinc/44/66/90/607446690.db2.gz VPCOFBYMSMMEOX-QGZVFWFLSA-N -1 3 369.469 3.100 20 0 FGADHM CC[C@@H](OC1CCCCC1)C(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000825154930 607446691 /nfs/dbraw/zinc/44/66/91/607446691.db2.gz VPCOFBYMSMMEOX-QGZVFWFLSA-N -1 3 369.469 3.100 20 0 FGADHM O=C([O-])Cc1ccc(NC(=O)NC[C@@H]2CCCN2Cc2ccccc2)cc1 ZINC000390565640 600542641 /nfs/dbraw/zinc/54/26/41/600542641.db2.gz LPQDMKIXQXQTAF-IBGZPJMESA-N -1 3 367.449 3.100 20 0 FGADHM O=C(N[C@H]1C[C@H]1C1CCCCC1)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826428437 607457857 /nfs/dbraw/zinc/45/78/57/607457857.db2.gz BVMFPLBNACKEPD-IRXDYDNUSA-N -1 3 366.469 3.124 20 0 FGADHM O=C(N[C@H]1C[C@H]1C1CCCCC1)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826428437 607457858 /nfs/dbraw/zinc/45/78/58/607457858.db2.gz BVMFPLBNACKEPD-IRXDYDNUSA-N -1 3 366.469 3.124 20 0 FGADHM Cc1cc(C)cc([C@H](O)CN2CCN(c3ccc(C(=O)[O-])cc3)C[C@H]2C)c1 ZINC000832875987 600690048 /nfs/dbraw/zinc/69/00/48/600690048.db2.gz ZQFKWZYBNYUDBK-DYESRHJHSA-N -1 3 368.477 3.246 20 0 FGADHM CCOC(=O)c1sc(C=Cc2ccc(-c3nnn[n-]3)cc2F)nc1C ZINC000821347189 607459384 /nfs/dbraw/zinc/45/93/84/607459384.db2.gz SKZJSHWMLATNCP-SREVYHEPSA-N -1 3 359.386 3.118 20 0 FGADHM CCOC(=O)c1sc(C=Cc2ccc(-c3nn[n-]n3)cc2F)nc1C ZINC000821347189 607459386 /nfs/dbraw/zinc/45/93/86/607459386.db2.gz SKZJSHWMLATNCP-SREVYHEPSA-N -1 3 359.386 3.118 20 0 FGADHM O=C([O-])[C@H](NCCC(=O)N1CCCCC1)c1ccc(Cl)cc1Cl ZINC000833166718 600740036 /nfs/dbraw/zinc/74/00/36/600740036.db2.gz JCRMQRPPBADUPZ-OAHLLOKOSA-N -1 3 359.253 3.111 20 0 FGADHM CCOC(=O)C1(CN[C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)CCC1 ZINC000829827261 600752719 /nfs/dbraw/zinc/75/27/19/600752719.db2.gz DYRCMUVPYRRWQG-ZDUSSCGKSA-N -1 3 360.237 3.442 20 0 FGADHM O=C([O-])N1CCC[C@@H](NCc2cc(Cl)ccc2OC[C@H]2CCCO2)C1 ZINC000833279156 600762648 /nfs/dbraw/zinc/76/26/48/600762648.db2.gz IIWZGSCERZCQNQ-HZPDHXFCSA-N -1 3 368.861 3.130 20 0 FGADHM Cc1sc(CC(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)nc1C(C)C ZINC000826349607 607468287 /nfs/dbraw/zinc/46/82/87/607468287.db2.gz NWTTVYFTZQPVKI-LLVKDONJSA-N -1 3 370.482 3.175 20 0 FGADHM Cc1sc(CC(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)nc1C(C)C ZINC000826349607 607468288 /nfs/dbraw/zinc/46/82/88/607468288.db2.gz NWTTVYFTZQPVKI-LLVKDONJSA-N -1 3 370.482 3.175 20 0 FGADHM O[C@H](C[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1 ZINC000823674042 607468805 /nfs/dbraw/zinc/46/88/05/607468805.db2.gz PISQMMOXUPFWLJ-QZTJIDSGSA-N -1 3 353.401 3.098 20 0 FGADHM Cc1[nH]c(C(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)c(C)c1C(=O)[O-] ZINC000832843481 600984335 /nfs/dbraw/zinc/98/43/35/600984335.db2.gz NDLFEZVQLHNGEG-QGZVFWFLSA-N -1 3 369.465 3.066 20 0 FGADHM Cn1cc([C@@H]2CCN([C@H](C(=O)[O-])c3ccc(Cl)cc3Cl)C2)cn1 ZINC000833043774 601013823 /nfs/dbraw/zinc/01/38/23/601013823.db2.gz WNTJFUDGZUMFFM-BMIGLBTASA-N -1 3 354.237 3.342 20 0 FGADHM CCOC(=O)c1c(C)c2ccccc2nc1CN[C@](C)(C(=O)[O-])C1CC1 ZINC000829872901 601034463 /nfs/dbraw/zinc/03/44/63/601034463.db2.gz CIQAKVWCFXESNO-FQEVSTJZSA-N -1 3 356.422 3.063 20 0 FGADHM CC(C)(C)OC(=O)Nc1ccc(NCc2cccc(-c3nnn[n-]3)c2)cn1 ZINC000819946464 607491486 /nfs/dbraw/zinc/49/14/86/607491486.db2.gz LBEFEJQJFXFGFY-UHFFFAOYSA-N -1 3 367.413 3.221 20 0 FGADHM CC(C)(C)OC(=O)Nc1ccc(NCc2cccc(-c3nn[n-]n3)c2)cn1 ZINC000819946464 607491487 /nfs/dbraw/zinc/49/14/87/607491487.db2.gz LBEFEJQJFXFGFY-UHFFFAOYSA-N -1 3 367.413 3.221 20 0 FGADHM COc1ccc(CN2CCCC[C@@H]2c2nccs2)cc1-c1nnn[n-]1 ZINC000826194396 607492604 /nfs/dbraw/zinc/49/26/04/607492604.db2.gz KWXSIFAWJSNWKL-CQSZACIVSA-N -1 3 356.455 3.059 20 0 FGADHM COc1ccc(CN2CCCC[C@@H]2c2nccs2)cc1-c1nn[n-]n1 ZINC000826194396 607492605 /nfs/dbraw/zinc/49/26/05/607492605.db2.gz KWXSIFAWJSNWKL-CQSZACIVSA-N -1 3 356.455 3.059 20 0 FGADHM C[C@H](C(=O)Nc1ccccc1-c1ccccc1)N1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000828421420 601501163 /nfs/dbraw/zinc/50/11/63/601501163.db2.gz FPBKJPNJRHBZCX-RKVPGOIHSA-N -1 3 352.434 3.333 20 0 FGADHM C[C@@H]1CN([C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)C[C@@H]1C(=O)[O-] ZINC000828414256 601506553 /nfs/dbraw/zinc/50/65/53/601506553.db2.gz YIYBEVPLXXGHEN-JEBQAFNWSA-N -1 3 356.397 3.158 20 0 FGADHM C[C@H]1CN(Cc2coc(-c3ccc(Br)cc3)n2)C[C@H]1C(=O)[O-] ZINC000828464471 601519951 /nfs/dbraw/zinc/51/99/51/601519951.db2.gz VFMDYCZDSZRCRQ-IINYFYTJSA-N -1 3 365.227 3.257 20 0 FGADHM C[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)N1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000828421562 601521145 /nfs/dbraw/zinc/52/11/45/601521145.db2.gz HHNVTKFPJKGNGW-CLCXKQKWSA-N -1 3 368.433 3.458 20 0 FGADHM Cc1occc1C(=O)NC1CCN(Cc2cc(C(=O)[O-])sc2C)CC1 ZINC000833030319 601627948 /nfs/dbraw/zinc/62/79/48/601627948.db2.gz UUSUCTVBJHEIPP-UHFFFAOYSA-N -1 3 362.451 3.051 20 0 FGADHM Cc1sc(C(=O)[O-])cc1CN1CCC(NC(=O)CC2CCCC2)CC1 ZINC000833033096 601634315 /nfs/dbraw/zinc/63/43/15/601634315.db2.gz VFEBOKVAIXSANH-UHFFFAOYSA-N -1 3 364.511 3.416 20 0 FGADHM Cc1sc(C(=O)[O-])cc1CN1CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000833031088 601642324 /nfs/dbraw/zinc/64/23/24/601642324.db2.gz DTGBRCPSZZVWJW-RISCZKNCSA-N -1 3 368.499 3.490 20 0 FGADHM COC(=O)C1(CNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CCCC1 ZINC000826124782 607521826 /nfs/dbraw/zinc/52/18/26/607521826.db2.gz UZDJGOQQGPREJO-UHFFFAOYSA-N -1 3 369.347 3.031 20 0 FGADHM COC(=O)C1(CNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CCCC1 ZINC000826124782 607521828 /nfs/dbraw/zinc/52/18/28/607521828.db2.gz UZDJGOQQGPREJO-UHFFFAOYSA-N -1 3 369.347 3.031 20 0 FGADHM Cc1ccc(C)c(C(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)c1 ZINC000832926119 601732789 /nfs/dbraw/zinc/73/27/89/601732789.db2.gz NPBZQAHRNVTFJR-QFIPXVFZSA-N -1 3 366.461 3.153 20 0 FGADHM O=C([O-])[C@]1(NC(=O)C2CCCCCC2)CCCN(Cc2ccccc2)C1 ZINC000833128694 601735237 /nfs/dbraw/zinc/73/52/37/601735237.db2.gz LXYXKBSZZBXUOK-NRFANRHFSA-N -1 3 358.482 3.192 20 0 FGADHM O=C([O-])c1sccc1CN1CCC(C(=O)Nc2ccc(O)cc2)CC1 ZINC000833347564 601812053 /nfs/dbraw/zinc/81/20/53/601812053.db2.gz LQEOJFJIABSEQC-UHFFFAOYSA-N -1 3 360.435 3.003 20 0 FGADHM CN(C)c1cccc(CN(C)[C@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)c1 ZINC000830643066 601906271 /nfs/dbraw/zinc/90/62/71/601906271.db2.gz BMZRFKRFXSZFMX-KRWDZBQOSA-N -1 3 352.356 3.428 20 0 FGADHM C[C@H](CN(CC(=O)N[C@@H](c1cccs1)C(C)(C)C)C1CC1)C(=O)[O-] ZINC000827449690 601918039 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KCUVVFGRQPYGCN-ZWKOTPCHSA-N -1 3 352.438 3.225 20 0 FGADHM CCO[C@H](CCNC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C(C)C ZINC000821352143 606058607 /nfs/dbraw/zinc/05/86/07/606058607.db2.gz XTVSGEXIAIJSLM-CQSZACIVSA-N -1 3 366.853 3.093 20 0 FGADHM CCO[C@H](CCNC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C(C)C ZINC000821352143 606058613 /nfs/dbraw/zinc/05/86/13/606058613.db2.gz XTVSGEXIAIJSLM-CQSZACIVSA-N -1 3 366.853 3.093 20 0 FGADHM Fc1ccc(OCCNc2nc3ccccc3cc2-c2nnn[n-]2)c(F)c1 ZINC000822783091 606078131 /nfs/dbraw/zinc/07/81/31/606078131.db2.gz UUNWFIUPLAOKSW-UHFFFAOYSA-N -1 3 368.347 3.184 20 0 FGADHM Fc1ccc(OCCNc2nc3ccccc3cc2-c2nn[n-]n2)c(F)c1 ZINC000822783091 606078134 /nfs/dbraw/zinc/07/81/34/606078134.db2.gz UUNWFIUPLAOKSW-UHFFFAOYSA-N -1 3 368.347 3.184 20 0 FGADHM CCN(CC(=O)Nc1sc(C)c(C)c1-c1nnn[n-]1)c1cccc(C)c1 ZINC000821170588 606107324 /nfs/dbraw/zinc/10/73/24/606107324.db2.gz UCXDVSMDCLYIPS-UHFFFAOYSA-N -1 3 370.482 3.318 20 0 FGADHM CCN(CC(=O)Nc1sc(C)c(C)c1-c1nn[n-]n1)c1cccc(C)c1 ZINC000821170588 606107326 /nfs/dbraw/zinc/10/73/26/606107326.db2.gz UCXDVSMDCLYIPS-UHFFFAOYSA-N -1 3 370.482 3.318 20 0 FGADHM C[C@@H]1CCN(C(=O)Cc2ccc(-c3nnn[n-]3)cc2)[C@@H]1c1cccc(F)c1 ZINC000820717763 606110136 /nfs/dbraw/zinc/11/01/36/606110136.db2.gz VXHAWDDWWGHGHP-YJYMSZOUSA-N -1 3 365.412 3.158 20 0 FGADHM C[C@@H]1CCN(C(=O)Cc2ccc(-c3nn[n-]n3)cc2)[C@@H]1c1cccc(F)c1 ZINC000820717763 606110138 /nfs/dbraw/zinc/11/01/38/606110138.db2.gz VXHAWDDWWGHGHP-YJYMSZOUSA-N -1 3 365.412 3.158 20 0 FGADHM C[C@@H](NC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)[C@H](C)c1ccccc1 ZINC000820351643 606119213 /nfs/dbraw/zinc/11/92/13/606119213.db2.gz QKVABZKQVAMSNB-ZNMIVQPWSA-N -1 3 364.453 3.419 20 0 FGADHM C[C@@H](NC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)[C@H](C)c1ccccc1 ZINC000820351643 606119215 /nfs/dbraw/zinc/11/92/15/606119215.db2.gz QKVABZKQVAMSNB-ZNMIVQPWSA-N -1 3 364.453 3.419 20 0 FGADHM CN(C)c1cccc([C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000821590929 606124725 /nfs/dbraw/zinc/12/47/25/606124725.db2.gz MJUOTZZPLIPTGV-KRWDZBQOSA-N -1 3 352.417 3.413 20 0 FGADHM CN(C)c1cccc([C@@H]2CCCN2c2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000821591021 606124742 /nfs/dbraw/zinc/12/47/42/606124742.db2.gz QPTSKHFQXDBTMG-KRWDZBQOSA-N -1 3 352.417 3.413 20 0 FGADHM CN(C)c1cccc([C@@H]2CCCN2c2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000821591021 606124743 /nfs/dbraw/zinc/12/47/43/606124743.db2.gz QPTSKHFQXDBTMG-KRWDZBQOSA-N -1 3 352.417 3.413 20 0 FGADHM O=C(OCc1ncc(-c2cccc(F)c2)o1)c1cccc(-c2nnn[n-]2)c1 ZINC000823440475 606130431 /nfs/dbraw/zinc/13/04/31/606130431.db2.gz VLSOGIUDCLCEAM-UHFFFAOYSA-N -1 3 365.324 3.018 20 0 FGADHM O=C(OCc1ncc(-c2cccc(F)c2)o1)c1cccc(-c2nn[n-]n2)c1 ZINC000823440475 606130433 /nfs/dbraw/zinc/13/04/33/606130433.db2.gz VLSOGIUDCLCEAM-UHFFFAOYSA-N -1 3 365.324 3.018 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)OCc1ccc(Cl)cc1Cl ZINC000823112043 606142921 /nfs/dbraw/zinc/14/29/21/606142921.db2.gz RDYZDGMIRPWFOH-UHFFFAOYSA-N -1 3 363.204 3.459 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)OCc1ccc(Cl)cc1Cl ZINC000823112043 606142922 /nfs/dbraw/zinc/14/29/22/606142922.db2.gz RDYZDGMIRPWFOH-UHFFFAOYSA-N -1 3 363.204 3.459 20 0 FGADHM O=C(C/C=C/c1ccc(F)cc1)OCc1ccc(-c2nnn[n-]2)cc1F ZINC000822945758 606148334 /nfs/dbraw/zinc/14/83/34/606148334.db2.gz PVNXKAMHFBHFJL-OWOJBTEDSA-N -1 3 356.332 3.292 20 0 FGADHM O=C(C/C=C/c1ccc(F)cc1)OCc1ccc(-c2nn[n-]n2)cc1F ZINC000822945758 606148335 /nfs/dbraw/zinc/14/83/35/606148335.db2.gz PVNXKAMHFBHFJL-OWOJBTEDSA-N -1 3 356.332 3.292 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N(C(CC)CC)C1CC1 ZINC000821407557 606151964 /nfs/dbraw/zinc/15/19/64/606151964.db2.gz TUNOIUCZPUKDRS-UHFFFAOYSA-N -1 3 358.446 3.450 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N(C(CC)CC)C1CC1 ZINC000821407557 606151965 /nfs/dbraw/zinc/15/19/65/606151965.db2.gz TUNOIUCZPUKDRS-UHFFFAOYSA-N -1 3 358.446 3.450 20 0 FGADHM O=C(c1ccc(F)c(F)c1F)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000823487731 606153966 /nfs/dbraw/zinc/15/39/66/606153966.db2.gz GYBMDNAPXNEZOP-UHFFFAOYSA-N -1 3 373.338 3.089 20 0 FGADHM O=C(c1ccc(F)c(F)c1F)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000823487731 606153968 /nfs/dbraw/zinc/15/39/68/606153968.db2.gz GYBMDNAPXNEZOP-UHFFFAOYSA-N -1 3 373.338 3.089 20 0 FGADHM Cc1nc(CCCC(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000822440124 606177553 /nfs/dbraw/zinc/17/75/53/606177553.db2.gz HSLMTUJCDLUWNY-LLVKDONJSA-N -1 3 357.439 3.259 20 0 FGADHM Cc1nc(CCCC(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000822440124 606177554 /nfs/dbraw/zinc/17/75/54/606177554.db2.gz HSLMTUJCDLUWNY-LLVKDONJSA-N -1 3 357.439 3.259 20 0 FGADHM CCCCc1nc(C[S@](=O)Cc2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000821077688 606179721 /nfs/dbraw/zinc/17/97/21/606179721.db2.gz QDFZRDZFKRUGDP-XMMPIXPASA-N -1 3 361.496 3.115 20 0 FGADHM CCCCc1nc(C[S@](=O)Cc2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000821077688 606179722 /nfs/dbraw/zinc/17/97/22/606179722.db2.gz QDFZRDZFKRUGDP-XMMPIXPASA-N -1 3 361.496 3.115 20 0 FGADHM O=C(Oc1ccc(Oc2nccs2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823454724 606182686 /nfs/dbraw/zinc/18/26/86/606182686.db2.gz SAEGSKXDULLYFY-UHFFFAOYSA-N -1 3 365.374 3.335 20 0 FGADHM O=C(Oc1ccc(Oc2nccs2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823454724 606182688 /nfs/dbraw/zinc/18/26/88/606182688.db2.gz SAEGSKXDULLYFY-UHFFFAOYSA-N -1 3 365.374 3.335 20 0 FGADHM C[C@H]1CCc2c(sc(NC(=O)[C@H]3[C@@H]4CCCC[C@@H]43)c2-c2nnn[n-]2)C1 ZINC000820727909 606182713 /nfs/dbraw/zinc/18/27/13/606182713.db2.gz QPQCQRYMZFWAKK-KZWBYHQPSA-N -1 3 357.483 3.428 20 0 FGADHM C[C@H]1CCc2c(sc(NC(=O)[C@H]3[C@@H]4CCCC[C@@H]43)c2-c2nn[n-]n2)C1 ZINC000820727909 606182714 /nfs/dbraw/zinc/18/27/14/606182714.db2.gz QPQCQRYMZFWAKK-KZWBYHQPSA-N -1 3 357.483 3.428 20 0 FGADHM O[C@H](C[C@@H]1CCCCCN1c1ccc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC000823673724 606241409 /nfs/dbraw/zinc/24/14/09/606241409.db2.gz MWNUVRWZWBRBTP-ZWKOTPCHSA-N -1 3 364.453 3.134 20 0 FGADHM O[C@H](C[C@@H]1CCCCCN1c1ccc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC000823673724 606241411 /nfs/dbraw/zinc/24/14/11/606241411.db2.gz MWNUVRWZWBRBTP-ZWKOTPCHSA-N -1 3 364.453 3.134 20 0 FGADHM C[C@H]([C@@H](C)c1ccc(Cl)cc1)N(C)C(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000820562993 606259851 /nfs/dbraw/zinc/25/98/51/606259851.db2.gz KZDFJCDVVPJOPT-VXGBXAGGSA-N -1 3 372.860 3.123 20 0 FGADHM C[C@H]([C@@H](C)c1ccc(Cl)cc1)N(C)C(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000820562993 606259852 /nfs/dbraw/zinc/25/98/52/606259852.db2.gz KZDFJCDVVPJOPT-VXGBXAGGSA-N -1 3 372.860 3.123 20 0 FGADHM O=C(Cc1coc2cc(F)ccc12)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000823118702 606267251 /nfs/dbraw/zinc/26/72/51/606267251.db2.gz NATMMWVAYXHVDQ-UHFFFAOYSA-N -1 3 355.304 3.072 20 0 FGADHM O=C(Cc1coc2cc(F)ccc12)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000823118702 606267252 /nfs/dbraw/zinc/26/72/52/606267252.db2.gz NATMMWVAYXHVDQ-UHFFFAOYSA-N -1 3 355.304 3.072 20 0 FGADHM Cc1cccc(-c2cccc(CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)c2)c1 ZINC000822284078 606268342 /nfs/dbraw/zinc/26/83/42/606268342.db2.gz ISZVZQYCIGUZPE-UHFFFAOYSA-N -1 3 358.405 3.100 20 0 FGADHM Cc1cccc(-c2cccc(CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)c2)c1 ZINC000822284078 606268343 /nfs/dbraw/zinc/26/83/43/606268343.db2.gz ISZVZQYCIGUZPE-UHFFFAOYSA-N -1 3 358.405 3.100 20 0 FGADHM CC[C@@H](C)Oc1ccc(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000820876880 606271690 /nfs/dbraw/zinc/27/16/90/606271690.db2.gz VMBSIFKKGIAIQR-LLVKDONJSA-N -1 3 355.373 3.435 20 0 FGADHM CC[C@@H](C)Oc1ccc(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000820876880 606271692 /nfs/dbraw/zinc/27/16/92/606271692.db2.gz VMBSIFKKGIAIQR-LLVKDONJSA-N -1 3 355.373 3.435 20 0 FGADHM COc1cccc(C(C)=CC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000821858100 606273049 /nfs/dbraw/zinc/27/30/49/606273049.db2.gz DCBKBCXNOFNEJG-DHZHZOJOSA-N -1 3 353.357 3.056 20 0 FGADHM COc1cccc(C(C)=CC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000821858100 606273051 /nfs/dbraw/zinc/27/30/51/606273051.db2.gz DCBKBCXNOFNEJG-DHZHZOJOSA-N -1 3 353.357 3.056 20 0 FGADHM C[C@]1(CCc2ccccc2)CCN(C(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000820612984 606281450 /nfs/dbraw/zinc/28/14/50/606281450.db2.gz PCTJPXBHGMXTCB-NRFANRHFSA-N -1 3 361.449 3.352 20 0 FGADHM C[C@]1(CCc2ccccc2)CCN(C(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000820612984 606281452 /nfs/dbraw/zinc/28/14/52/606281452.db2.gz PCTJPXBHGMXTCB-NRFANRHFSA-N -1 3 361.449 3.352 20 0 FGADHM C[C@@H]1[C@H](c2ccccc2)CCN1C(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000820643612 606296204 /nfs/dbraw/zinc/29/62/04/606296204.db2.gz XJURGQFGJFNYKA-UKRRQHHQSA-N -1 3 364.478 3.442 20 0 FGADHM C[C@@H]1[C@H](c2ccccc2)CCN1C(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000820643612 606296206 /nfs/dbraw/zinc/29/62/06/606296206.db2.gz XJURGQFGJFNYKA-UKRRQHHQSA-N -1 3 364.478 3.442 20 0 FGADHM CC[C@H](C)CN(CC)C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000820870008 606300420 /nfs/dbraw/zinc/30/04/20/606300420.db2.gz KZCHRKXFMWRUKD-HNNXBMFYSA-N -1 3 359.474 3.310 20 0 FGADHM CC[C@H](C)CN(CC)C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000820870008 606300422 /nfs/dbraw/zinc/30/04/22/606300422.db2.gz KZCHRKXFMWRUKD-HNNXBMFYSA-N -1 3 359.474 3.310 20 0 FGADHM COC(=O)[C@H](N[C@@H](C)c1ccc(C)c(C)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000821640116 606302900 /nfs/dbraw/zinc/30/29/00/606302900.db2.gz AUMGYUDLLBAMLK-KBXCAEBGSA-N -1 3 365.437 3.048 20 0 FGADHM COC(=O)[C@H](N[C@@H](C)c1ccc(C)c(C)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000821640116 606302903 /nfs/dbraw/zinc/30/29/03/606302903.db2.gz AUMGYUDLLBAMLK-KBXCAEBGSA-N -1 3 365.437 3.048 20 0 FGADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)c1c(F)c(F)cc(F)c1F ZINC000823333191 606314412 /nfs/dbraw/zinc/31/44/12/606314412.db2.gz ZWZIOAKPQYKNOS-UHFFFAOYSA-N -1 3 371.681 3.329 20 0 FGADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)c1c(F)c(F)cc(F)c1F ZINC000823333191 606314414 /nfs/dbraw/zinc/31/44/14/606314414.db2.gz ZWZIOAKPQYKNOS-UHFFFAOYSA-N -1 3 371.681 3.329 20 0 FGADHM COC(=O)[C@@H](c1cccc(-c2nn[n-]n2)c1)N1CCCC2(CCCCC2)C1 ZINC000821651880 606323219 /nfs/dbraw/zinc/32/32/19/606323219.db2.gz HWFVHSGRDVIXDY-QGZVFWFLSA-N -1 3 369.469 3.127 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)Nc1ccc(OCC(F)F)cc1 ZINC000822935010 606325349 /nfs/dbraw/zinc/32/53/49/606325349.db2.gz FSGKVPTUCFUPAS-YHYXMXQVSA-N -1 3 371.347 3.163 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)Nc1ccc(OCC(F)F)cc1 ZINC000822935010 606325350 /nfs/dbraw/zinc/32/53/50/606325350.db2.gz FSGKVPTUCFUPAS-YHYXMXQVSA-N -1 3 371.347 3.163 20 0 FGADHM O=C1[C@@H](Sc2cccc(-c3nnn[n-]3)c2)CCN1c1ccccc1Cl ZINC000823514311 606326589 /nfs/dbraw/zinc/32/65/89/606326589.db2.gz YQVAQHVZEUZJGO-HNNXBMFYSA-N -1 3 371.853 3.418 20 0 FGADHM O=C1[C@@H](Sc2cccc(-c3nn[n-]n3)c2)CCN1c1ccccc1Cl ZINC000823514311 606326591 /nfs/dbraw/zinc/32/65/91/606326591.db2.gz YQVAQHVZEUZJGO-HNNXBMFYSA-N -1 3 371.853 3.418 20 0 FGADHM O=C(CSc1cccc(-c2nnn[n-]2)c1)N[C@H](c1ccccc1)C1CC1 ZINC000823070645 606327732 /nfs/dbraw/zinc/32/77/32/606327732.db2.gz IZOUONOCSHWTJA-GOSISDBHSA-N -1 3 365.462 3.226 20 0 FGADHM O=C(CSc1cccc(-c2nn[n-]n2)c1)N[C@H](c1ccccc1)C1CC1 ZINC000823070645 606327734 /nfs/dbraw/zinc/32/77/34/606327734.db2.gz IZOUONOCSHWTJA-GOSISDBHSA-N -1 3 365.462 3.226 20 0 FGADHM CC(C)Cc1nc(C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000820109022 606338649 /nfs/dbraw/zinc/33/86/49/606338649.db2.gz ZPTGZPXPQWJFJJ-LLVKDONJSA-N -1 3 357.439 3.440 20 0 FGADHM CC(C)Cc1nc(C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000820109022 606338650 /nfs/dbraw/zinc/33/86/50/606338650.db2.gz ZPTGZPXPQWJFJJ-LLVKDONJSA-N -1 3 357.439 3.440 20 0 FGADHM C[C@@H](OC(=O)COc1cccc(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820496679 606340301 /nfs/dbraw/zinc/34/03/01/606340301.db2.gz NVTHVHLUFCOGMP-LLVKDONJSA-N -1 3 358.785 3.203 20 0 FGADHM C[C@@H](OC(=O)COc1cccc(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820496679 606340303 /nfs/dbraw/zinc/34/03/03/606340303.db2.gz NVTHVHLUFCOGMP-LLVKDONJSA-N -1 3 358.785 3.203 20 0 FGADHM C[C@@H](OC(=O)COc1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820497413 606343849 /nfs/dbraw/zinc/34/38/49/606343849.db2.gz RBAQHBOXSRDODW-LLVKDONJSA-N -1 3 358.785 3.203 20 0 FGADHM C[C@@H](OC(=O)COc1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820497413 606343851 /nfs/dbraw/zinc/34/38/51/606343851.db2.gz RBAQHBOXSRDODW-LLVKDONJSA-N -1 3 358.785 3.203 20 0 FGADHM Cc1cccc(OCCC(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822328694 606344959 /nfs/dbraw/zinc/34/49/59/606344959.db2.gz ROBHDORIYXKYDM-AWEZNQCLSA-N -1 3 352.394 3.248 20 0 FGADHM Cc1cccc(OCCC(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822328694 606344960 /nfs/dbraw/zinc/34/49/60/606344960.db2.gz ROBHDORIYXKYDM-AWEZNQCLSA-N -1 3 352.394 3.248 20 0 FGADHM C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820666733 606345927 /nfs/dbraw/zinc/34/59/27/606345927.db2.gz JGWTVPGKPZFZMY-OCCSQVGLSA-N -1 3 366.400 3.416 20 0 FGADHM C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820666733 606345929 /nfs/dbraw/zinc/34/59/29/606345929.db2.gz JGWTVPGKPZFZMY-OCCSQVGLSA-N -1 3 366.400 3.416 20 0 FGADHM CCOc1ccccc1CN(C)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000821431395 606347573 /nfs/dbraw/zinc/34/75/73/606347573.db2.gz SPNFBHKACFPZLO-UHFFFAOYSA-N -1 3 370.388 3.068 20 0 FGADHM CCOc1ccccc1CN(C)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000821431395 606347575 /nfs/dbraw/zinc/34/75/75/606347575.db2.gz SPNFBHKACFPZLO-UHFFFAOYSA-N -1 3 370.388 3.068 20 0 FGADHM CCS[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000821453962 606348907 /nfs/dbraw/zinc/34/89/07/606348907.db2.gz BWWUTEGWKMJBRS-UONOGXRCSA-N -1 3 364.450 3.192 20 0 FGADHM CCS[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000821453962 606348909 /nfs/dbraw/zinc/34/89/09/606348909.db2.gz BWWUTEGWKMJBRS-UONOGXRCSA-N -1 3 364.450 3.192 20 0 FGADHM Cc1cccc([C@H](C)CNC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000822288985 606351340 /nfs/dbraw/zinc/35/13/40/606351340.db2.gz OLDAJYJZAIFINV-GFCCVEGCSA-N -1 3 354.389 3.239 20 0 FGADHM Cc1cccc([C@H](C)CNC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000822288985 606351342 /nfs/dbraw/zinc/35/13/42/606351342.db2.gz OLDAJYJZAIFINV-GFCCVEGCSA-N -1 3 354.389 3.239 20 0 FGADHM CCOc1cccc([C@@H](C)NC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000821426694 606352470 /nfs/dbraw/zinc/35/24/70/606352470.db2.gz GHNSEARUWCILGA-LLVKDONJSA-N -1 3 370.388 3.287 20 0 FGADHM CCOc1cccc([C@@H](C)NC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000821426694 606352472 /nfs/dbraw/zinc/35/24/72/606352472.db2.gz GHNSEARUWCILGA-LLVKDONJSA-N -1 3 370.388 3.287 20 0 FGADHM Cc1cc(C(=O)Oc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)on1 ZINC000822183555 606361089 /nfs/dbraw/zinc/36/10/89/606361089.db2.gz HQCCQJMNXJFCAS-UHFFFAOYSA-N -1 3 363.333 3.175 20 0 FGADHM Cc1cc(C(=O)Oc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)on1 ZINC000822183555 606361090 /nfs/dbraw/zinc/36/10/90/606361090.db2.gz HQCCQJMNXJFCAS-UHFFFAOYSA-N -1 3 363.333 3.175 20 0 FGADHM C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000820649103 606364350 /nfs/dbraw/zinc/36/43/50/606364350.db2.gz IMKJBBBPDXEIQC-IUODEOHRSA-N -1 3 359.499 3.290 20 0 FGADHM C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000820649103 606364353 /nfs/dbraw/zinc/36/43/53/606364353.db2.gz IMKJBBBPDXEIQC-IUODEOHRSA-N -1 3 359.499 3.290 20 0 FGADHM CCS[C@H]1CCC[C@H](NC(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000821455287 606384409 /nfs/dbraw/zinc/38/44/09/606384409.db2.gz IZWNRZWQRSDXEF-HOTGVXAUSA-N -1 3 374.514 3.072 20 0 FGADHM CCS[C@H]1CCC[C@H](NC(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821455287 606384411 /nfs/dbraw/zinc/38/44/11/606384411.db2.gz IZWNRZWQRSDXEF-HOTGVXAUSA-N -1 3 374.514 3.072 20 0 FGADHM C[C@@H](OC(=O)c1cc2ccccc2[nH]c1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820506595 606397446 /nfs/dbraw/zinc/39/74/46/606397446.db2.gz BWEWGQPAFIIPST-LLVKDONJSA-N -1 3 361.361 3.039 20 0 FGADHM C[C@@H](OC(=O)c1cc2ccccc2[nH]c1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820506595 606397447 /nfs/dbraw/zinc/39/74/47/606397447.db2.gz BWEWGQPAFIIPST-LLVKDONJSA-N -1 3 361.361 3.039 20 0 FGADHM C[C@@H](OC(=O)c1cccn1Cc1ccncc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820513009 606397982 /nfs/dbraw/zinc/39/79/82/606397982.db2.gz SBKHMDLBMZYCQM-CQSZACIVSA-N -1 3 374.404 3.030 20 0 FGADHM C[C@@H](OC(=O)c1cccn1Cc1ccncc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820513009 606397983 /nfs/dbraw/zinc/39/79/83/606397983.db2.gz SBKHMDLBMZYCQM-CQSZACIVSA-N -1 3 374.404 3.030 20 0 FGADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)O[C@H](c1ccccc1)C1CCCC1 ZINC000822655091 606409173 /nfs/dbraw/zinc/40/91/73/606409173.db2.gz CHWQOFULDXKGTG-QGZVFWFLSA-N -1 3 351.410 3.294 20 0 FGADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)O[C@H](c1ccccc1)C1CCCC1 ZINC000822655091 606409175 /nfs/dbraw/zinc/40/91/75/606409175.db2.gz CHWQOFULDXKGTG-QGZVFWFLSA-N -1 3 351.410 3.294 20 0 FGADHM C[C@H](NCc1c(F)cccc1OC(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000820426313 606415873 /nfs/dbraw/zinc/41/58/73/606415873.db2.gz IDXATEFXPJDWDE-JTQLQIEISA-N -1 3 363.343 3.458 20 0 FGADHM C[C@@H](Nc1ncccc1-c1nnn[n-]1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000820460808 606418989 /nfs/dbraw/zinc/41/89/89/606418989.db2.gz CBTNZQSGZVSODE-AMIZOPFISA-N -1 3 365.224 3.103 20 0 FGADHM C[C@@H](Nc1ncccc1-c1nn[n-]n1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000820460808 606418991 /nfs/dbraw/zinc/41/89/91/606418991.db2.gz CBTNZQSGZVSODE-AMIZOPFISA-N -1 3 365.224 3.103 20 0 FGADHM CCCC(CCC)Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1 ZINC000821016712 606429020 /nfs/dbraw/zinc/42/90/20/606429020.db2.gz YVJYLPSJGLFSPE-UHFFFAOYSA-N -1 3 358.490 3.209 20 0 FGADHM CCCC(CCC)Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1 ZINC000821016712 606429022 /nfs/dbraw/zinc/42/90/22/606429022.db2.gz YVJYLPSJGLFSPE-UHFFFAOYSA-N -1 3 358.490 3.209 20 0 FGADHM Fc1ccc(N2CC[C@H](OCCCc3ccccc3)C2)c(-c2nnn[n-]2)c1 ZINC000822778517 606429370 /nfs/dbraw/zinc/42/93/70/606429370.db2.gz KBVKOEPHBBYYBK-KRWDZBQOSA-N -1 3 367.428 3.234 20 0 FGADHM Fc1ccc(N2CC[C@H](OCCCc3ccccc3)C2)c(-c2nn[n-]n2)c1 ZINC000822778517 606429372 /nfs/dbraw/zinc/42/93/72/606429372.db2.gz KBVKOEPHBBYYBK-KRWDZBQOSA-N -1 3 367.428 3.234 20 0 FGADHM C[C@H](Nc1ncccc1-c1nnn[n-]1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000820462118 606429700 /nfs/dbraw/zinc/42/97/00/606429700.db2.gz UYCGKIQYSFLFAT-VIFPVBQESA-N -1 3 368.788 3.138 20 0 FGADHM C[C@H](Nc1ncccc1-c1nn[n-]n1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000820462118 606429702 /nfs/dbraw/zinc/42/97/02/606429702.db2.gz UYCGKIQYSFLFAT-VIFPVBQESA-N -1 3 368.788 3.138 20 0 FGADHM C[C@H]1CCCN1C(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000820711183 606436366 /nfs/dbraw/zinc/43/63/66/606436366.db2.gz VDYHNIZAKISNQU-AWEZNQCLSA-N -1 3 363.421 3.070 20 0 FGADHM Cc1cc(NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)sn1 ZINC000822208484 606437633 /nfs/dbraw/zinc/43/76/33/606437633.db2.gz UNQWJMPKNXDMSG-UHFFFAOYSA-N -1 3 357.443 3.074 20 0 FGADHM Cc1cc(NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)sn1 ZINC000822208484 606437635 /nfs/dbraw/zinc/43/76/35/606437635.db2.gz UNQWJMPKNXDMSG-UHFFFAOYSA-N -1 3 357.443 3.074 20 0 FGADHM COc1ccc(OC)c([C@H](C)Nc2c(F)cc(-c3nnn[n-]3)cc2F)c1 ZINC000821842649 606443681 /nfs/dbraw/zinc/44/36/81/606443681.db2.gz UZEKEJXUVFIORL-VIFPVBQESA-N -1 3 361.352 3.335 20 0 FGADHM COc1ccc(OC)c([C@H](C)Nc2c(F)cc(-c3nn[n-]n3)cc2F)c1 ZINC000821842649 606443683 /nfs/dbraw/zinc/44/36/83/606443683.db2.gz UZEKEJXUVFIORL-VIFPVBQESA-N -1 3 361.352 3.335 20 0 FGADHM Cc1cccc(C)c1NC(=O)CN(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000822294351 606449052 /nfs/dbraw/zinc/44/90/52/606449052.db2.gz XXWZOWKLXULKNW-UHFFFAOYSA-N -1 3 370.844 3.212 20 0 FGADHM Cc1cccc(C)c1NC(=O)CN(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000822294351 606449054 /nfs/dbraw/zinc/44/90/54/606449054.db2.gz XXWZOWKLXULKNW-UHFFFAOYSA-N -1 3 370.844 3.212 20 0 FGADHM c1ccc(OC[C@@H]2CCCCO2)c(NCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000823751386 606451216 /nfs/dbraw/zinc/45/12/16/606451216.db2.gz IKAORZUPUJZZPL-KRWDZBQOSA-N -1 3 365.437 3.427 20 0 FGADHM c1ccc(OC[C@@H]2CCCCO2)c(NCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000823751386 606451218 /nfs/dbraw/zinc/45/12/18/606451218.db2.gz IKAORZUPUJZZPL-KRWDZBQOSA-N -1 3 365.437 3.427 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NCc1ccc(C(=O)N2CCCC2)cc1 ZINC000822221362 606451948 /nfs/dbraw/zinc/45/19/48/606451948.db2.gz LOIHZIPXMMFPGI-UHFFFAOYSA-N -1 3 362.437 3.023 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NCc1ccc(C(=O)N2CCCC2)cc1 ZINC000822221362 606451949 /nfs/dbraw/zinc/45/19/49/606451949.db2.gz LOIHZIPXMMFPGI-UHFFFAOYSA-N -1 3 362.437 3.023 20 0 FGADHM CC(=O)Nc1ccc(Cl)cc1NCc1cc(-c2nnn[n-]2)ccc1F ZINC000819818881 606453278 /nfs/dbraw/zinc/45/32/78/606453278.db2.gz WYNYLTLTMRHQKT-UHFFFAOYSA-N -1 3 360.780 3.230 20 0 FGADHM CC(=O)Nc1ccc(Cl)cc1NCc1cc(-c2nn[n-]n2)ccc1F ZINC000819818881 606453280 /nfs/dbraw/zinc/45/32/80/606453280.db2.gz WYNYLTLTMRHQKT-UHFFFAOYSA-N -1 3 360.780 3.230 20 0 FGADHM O=C(OCc1cnc(-c2cccs2)o1)c1cc(-c2nnn[n-]2)cs1 ZINC000823440225 606468248 /nfs/dbraw/zinc/46/82/48/606468248.db2.gz ILRACGBFRFTFBT-UHFFFAOYSA-N -1 3 359.392 3.002 20 0 FGADHM O=C(OCc1cnc(-c2cccs2)o1)c1cc(-c2nn[n-]n2)cs1 ZINC000823440225 606468249 /nfs/dbraw/zinc/46/82/49/606468249.db2.gz ILRACGBFRFTFBT-UHFFFAOYSA-N -1 3 359.392 3.002 20 0 FGADHM O=C(Nc1ccccc1N1CCCCC1)c1cc(-c2nnn[n-]2)cs1 ZINC000823373031 606477690 /nfs/dbraw/zinc/47/76/90/606477690.db2.gz PCUOVVLNNPFGEQ-UHFFFAOYSA-N -1 3 354.439 3.171 20 0 FGADHM O=C(Nc1ccccc1N1CCCCC1)c1cc(-c2nn[n-]n2)cs1 ZINC000823373031 606477691 /nfs/dbraw/zinc/47/76/91/606477691.db2.gz PCUOVVLNNPFGEQ-UHFFFAOYSA-N -1 3 354.439 3.171 20 0 FGADHM Cc1cccc(C(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)c2cccc(C)c2)c1 ZINC000822289163 606480515 /nfs/dbraw/zinc/48/05/15/606480515.db2.gz SUBJQGJREZFVQV-UHFFFAOYSA-N -1 3 372.432 3.331 20 0 FGADHM Cc1cccc(C(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)c2cccc(C)c2)c1 ZINC000822289163 606480517 /nfs/dbraw/zinc/48/05/17/606480517.db2.gz SUBJQGJREZFVQV-UHFFFAOYSA-N -1 3 372.432 3.331 20 0 FGADHM C[C@@H](NC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1cccc2ccccc21 ZINC000820334197 606492748 /nfs/dbraw/zinc/49/27/48/606492748.db2.gz LASJWUPYDHSVTB-CQSZACIVSA-N -1 3 357.417 3.440 20 0 FGADHM C[C@@H](NC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1cccc2ccccc21 ZINC000820334197 606492749 /nfs/dbraw/zinc/49/27/49/606492749.db2.gz LASJWUPYDHSVTB-CQSZACIVSA-N -1 3 357.417 3.440 20 0 FGADHM C[C@H](NC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1ccc2ccccc2c1 ZINC000820333380 606492768 /nfs/dbraw/zinc/49/27/68/606492768.db2.gz AGVTYXXMRUEITQ-AWEZNQCLSA-N -1 3 357.417 3.440 20 0 FGADHM C[C@H](NC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1ccc2ccccc2c1 ZINC000820333380 606492769 /nfs/dbraw/zinc/49/27/69/606492769.db2.gz AGVTYXXMRUEITQ-AWEZNQCLSA-N -1 3 357.417 3.440 20 0 FGADHM C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)cs1)c1cccc(OC(F)F)c1 ZINC000820392338 606494446 /nfs/dbraw/zinc/49/44/46/606494446.db2.gz UUGIQOTYLOSGAU-MRVPVSSYSA-N -1 3 365.365 3.021 20 0 FGADHM C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)cs1)c1cccc(OC(F)F)c1 ZINC000820392338 606494447 /nfs/dbraw/zinc/49/44/47/606494447.db2.gz UUGIQOTYLOSGAU-MRVPVSSYSA-N -1 3 365.365 3.021 20 0 FGADHM CN(Cc1cccc(C(F)(F)F)c1)C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000821613216 606495653 /nfs/dbraw/zinc/49/56/53/606495653.db2.gz CKOPPMVGZPLDFK-UHFFFAOYSA-N -1 3 367.356 3.219 20 0 FGADHM CN(Cc1cccc(C(F)(F)F)c1)C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000821613216 606495654 /nfs/dbraw/zinc/49/56/54/606495654.db2.gz CKOPPMVGZPLDFK-UHFFFAOYSA-N -1 3 367.356 3.219 20 0 FGADHM CC[C@@H](NC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1cccc(Cl)c1 ZINC000820914301 606503455 /nfs/dbraw/zinc/50/34/55/606503455.db2.gz NUVRRFLFMMRPCE-MRXNPFEDSA-N -1 3 355.829 3.330 20 0 FGADHM CC[C@@H](NC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1cccc(Cl)c1 ZINC000820914301 606503457 /nfs/dbraw/zinc/50/34/57/606503457.db2.gz NUVRRFLFMMRPCE-MRXNPFEDSA-N -1 3 355.829 3.330 20 0 FGADHM CC(C)Oc1ccc(NC(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1Cl ZINC000820166350 606506323 /nfs/dbraw/zinc/50/63/23/606506323.db2.gz WHLCTNVODJLCFT-UHFFFAOYSA-N -1 3 371.828 3.489 20 0 FGADHM CC(C)Oc1ccc(NC(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1Cl ZINC000820166350 606506325 /nfs/dbraw/zinc/50/63/25/606506325.db2.gz WHLCTNVODJLCFT-UHFFFAOYSA-N -1 3 371.828 3.489 20 0 FGADHM O=C(Nc1cc(F)ccc1N1CCCCC1)c1cc(-c2nnn[n-]2)cs1 ZINC000823299152 606506738 /nfs/dbraw/zinc/50/67/38/606506738.db2.gz KCXKLQGBXWHBAV-UHFFFAOYSA-N -1 3 372.429 3.310 20 0 FGADHM O=C(Nc1cc(F)ccc1N1CCCCC1)c1cc(-c2nn[n-]n2)cs1 ZINC000823299152 606506739 /nfs/dbraw/zinc/50/67/39/606506739.db2.gz KCXKLQGBXWHBAV-UHFFFAOYSA-N -1 3 372.429 3.310 20 0 FGADHM CCCN(CCc1cccc(F)c1)C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000821099263 606512763 /nfs/dbraw/zinc/51/27/63/606512763.db2.gz DRICMHDUIJIYMV-UHFFFAOYSA-N -1 3 359.430 3.162 20 0 FGADHM CCCN(CCc1cccc(F)c1)C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000821099263 606512764 /nfs/dbraw/zinc/51/27/64/606512764.db2.gz DRICMHDUIJIYMV-UHFFFAOYSA-N -1 3 359.430 3.162 20 0 FGADHM C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820665044 606513560 /nfs/dbraw/zinc/51/35/60/606513560.db2.gz DIRUQIUXFKVFGJ-JQWIXIFHSA-N -1 3 357.414 3.086 20 0 FGADHM C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820665044 606513562 /nfs/dbraw/zinc/51/35/62/606513562.db2.gz DIRUQIUXFKVFGJ-JQWIXIFHSA-N -1 3 357.414 3.086 20 0 FGADHM O=C(c1cc(-c2nnn[n-]2)cs1)N1CC[C@@H](CSc2ccccc2)C1 ZINC000823467104 606519789 /nfs/dbraw/zinc/51/97/89/606519789.db2.gz RNLJNLYZJBMSNG-GFCCVEGCSA-N -1 3 371.491 3.183 20 0 FGADHM O=C(c1cc(-c2nn[n-]n2)cs1)N1CC[C@@H](CSc2ccccc2)C1 ZINC000823467104 606519791 /nfs/dbraw/zinc/51/97/91/606519791.db2.gz RNLJNLYZJBMSNG-GFCCVEGCSA-N -1 3 371.491 3.183 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000823093045 606535118 /nfs/dbraw/zinc/53/51/18/606535118.db2.gz SOAIRVOXXIBKER-MOPGFXCFSA-N -1 3 361.449 3.252 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000823093045 606535121 /nfs/dbraw/zinc/53/51/21/606535121.db2.gz SOAIRVOXXIBKER-MOPGFXCFSA-N -1 3 361.449 3.252 20 0 FGADHM CC(C)CCOc1cccc(NC(=O)Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC000820076548 606535592 /nfs/dbraw/zinc/53/55/92/606535592.db2.gz LWLVSERVYFHYTC-UHFFFAOYSA-N -1 3 365.437 3.473 20 0 FGADHM CC(C)CCOc1cccc(NC(=O)Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC000820076548 606535593 /nfs/dbraw/zinc/53/55/93/606535593.db2.gz LWLVSERVYFHYTC-UHFFFAOYSA-N -1 3 365.437 3.473 20 0 FGADHM Cc1[nH]c2c(cc(C)cc2CNC(=O)Cc2cccc(-c3nnn[n-]3)c2)c1C ZINC000822199991 606536069 /nfs/dbraw/zinc/53/60/69/606536069.db2.gz PSGVGDVSPPAFFR-UHFFFAOYSA-N -1 3 374.448 3.132 20 0 FGADHM Cc1[nH]c2c(cc(C)cc2CNC(=O)Cc2cccc(-c3nn[n-]n3)c2)c1C ZINC000822199991 606536071 /nfs/dbraw/zinc/53/60/71/606536071.db2.gz PSGVGDVSPPAFFR-UHFFFAOYSA-N -1 3 374.448 3.132 20 0 FGADHM C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)c2cc(-c3nnn[n-]3)cs2)C1 ZINC000820667136 606542136 /nfs/dbraw/zinc/54/21/36/606542136.db2.gz LFXOLZLPQHWUIY-HZMBPMFUSA-N -1 3 357.414 3.291 20 0 FGADHM C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)c2cc(-c3nn[n-]n3)cs2)C1 ZINC000820667136 606542137 /nfs/dbraw/zinc/54/21/37/606542137.db2.gz LFXOLZLPQHWUIY-HZMBPMFUSA-N -1 3 357.414 3.291 20 0 FGADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N(CC1CC1)c1ccccc1 ZINC000820519957 606549384 /nfs/dbraw/zinc/54/93/84/606549384.db2.gz XQIFCFUJLPBXTO-AWEZNQCLSA-N -1 3 363.421 3.077 20 0 FGADHM O=C(CC1=CCCCC1)OCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000822940907 606559450 /nfs/dbraw/zinc/55/94/50/606559450.db2.gz JGCWNFIKQCJIHC-UHFFFAOYSA-N -1 3 364.352 3.402 20 0 FGADHM O=C(CC1=CCCCC1)OCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000822940907 606559451 /nfs/dbraw/zinc/55/94/51/606559451.db2.gz JGCWNFIKQCJIHC-UHFFFAOYSA-N -1 3 364.352 3.402 20 0 FGADHM CC(C)c1ccc(C(=O)[C@@H](C)OC(=O)c2cc(-c3nnn[n-]3)cs2)cc1 ZINC000820508608 606562395 /nfs/dbraw/zinc/56/23/95/606562395.db2.gz SWWBKPXIJZCKRW-LLVKDONJSA-N -1 3 370.434 3.480 20 0 FGADHM CC(C)c1ccc(C(=O)[C@@H](C)OC(=O)c2cc(-c3nn[n-]n3)cs2)cc1 ZINC000820508608 606562397 /nfs/dbraw/zinc/56/23/97/606562397.db2.gz SWWBKPXIJZCKRW-LLVKDONJSA-N -1 3 370.434 3.480 20 0 FGADHM O=C(NC1CC(c2cccc(Cl)c2)C1)c1cc(-c2nnn[n-]2)cs1 ZINC000823144309 606572534 /nfs/dbraw/zinc/57/25/34/606572534.db2.gz CXTOSDXIIUNHEB-UHFFFAOYSA-N -1 3 359.842 3.258 20 0 FGADHM O=C(NC1CC(c2cccc(Cl)c2)C1)c1cc(-c2nn[n-]n2)cs1 ZINC000823144309 606572536 /nfs/dbraw/zinc/57/25/36/606572536.db2.gz CXTOSDXIIUNHEB-UHFFFAOYSA-N -1 3 359.842 3.258 20 0 FGADHM C[C@@H]1CN(C(=O)Cc2cccc(-c3nnn[n-]3)c2)CC[C@H]1c1ccccc1 ZINC000820733019 606574233 /nfs/dbraw/zinc/57/42/33/606574233.db2.gz CCGWAFKEKZXYTB-DNVCBOLYSA-N -1 3 361.449 3.061 20 0 FGADHM C[C@@H]1CN(C(=O)Cc2cccc(-c3nn[n-]n3)c2)CC[C@H]1c1ccccc1 ZINC000820733019 606574235 /nfs/dbraw/zinc/57/42/35/606574235.db2.gz CCGWAFKEKZXYTB-DNVCBOLYSA-N -1 3 361.449 3.061 20 0 FGADHM Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)Cc2cccc(-c3nnn[n-]3)c2)o1 ZINC000822233059 606579689 /nfs/dbraw/zinc/57/96/89/606579689.db2.gz HKYFEUPAWSCKMU-DYVFJYSZSA-N -1 3 365.437 3.310 20 0 FGADHM Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)Cc2cccc(-c3nn[n-]n3)c2)o1 ZINC000822233059 606579690 /nfs/dbraw/zinc/57/96/90/606579690.db2.gz HKYFEUPAWSCKMU-DYVFJYSZSA-N -1 3 365.437 3.310 20 0 FGADHM Cc1noc([C@@H](C)SCc2ccc(-c3nnn[n-]3)cc2OC(F)F)n1 ZINC000822519710 606598908 /nfs/dbraw/zinc/59/89/08/606598908.db2.gz KXXSRFPUSXVBHD-SSDOTTSWSA-N -1 3 368.369 3.154 20 0 FGADHM Cc1noc([C@@H](C)SCc2ccc(-c3nn[n-]n3)cc2OC(F)F)n1 ZINC000822519710 606598910 /nfs/dbraw/zinc/59/89/10/606598910.db2.gz KXXSRFPUSXVBHD-SSDOTTSWSA-N -1 3 368.369 3.154 20 0 FGADHM C[C@@H]1CCC[C@@H](C)N1C(=O)CSc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000820697511 606628095 /nfs/dbraw/zinc/62/80/95/606628095.db2.gz IDQRNGDJNSTHOF-GHMZBOCLSA-N -1 3 365.890 3.402 20 0 FGADHM C[C@@H]1CCC[C@@H](C)N1C(=O)CSc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000820697511 606628096 /nfs/dbraw/zinc/62/80/96/606628096.db2.gz IDQRNGDJNSTHOF-GHMZBOCLSA-N -1 3 365.890 3.402 20 0 FGADHM Clc1ccc(N=C2NN=C(c3ccc(-c4nnn[n-]4)cc3)CS2)cc1 ZINC000822579086 606632374 /nfs/dbraw/zinc/63/23/74/606632374.db2.gz VNSGMOXXLWZZHE-UHFFFAOYSA-N -1 3 369.841 3.439 20 0 FGADHM Clc1ccc(N=C2NN=C(c3ccc(-c4nn[n-]n4)cc3)CS2)cc1 ZINC000822579086 606632376 /nfs/dbraw/zinc/63/23/76/606632376.db2.gz VNSGMOXXLWZZHE-UHFFFAOYSA-N -1 3 369.841 3.439 20 0 FGADHM CC[C@@H](NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1ccc(C)cc1 ZINC000820920500 606666077 /nfs/dbraw/zinc/66/60/77/606666077.db2.gz QILAWVGGWOWDSI-OAHLLOKOSA-N -1 3 357.364 3.334 20 0 FGADHM CC[C@@H](NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccc(C)cc1 ZINC000820920500 606666078 /nfs/dbraw/zinc/66/60/78/606666078.db2.gz QILAWVGGWOWDSI-OAHLLOKOSA-N -1 3 357.364 3.334 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Cc1c(F)cccc1F ZINC000821099442 606667719 /nfs/dbraw/zinc/66/77/19/606667719.db2.gz IFCXDIJBDFODPO-UHFFFAOYSA-N -1 3 371.391 3.126 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Cc1c(F)cccc1F ZINC000821099442 606667720 /nfs/dbraw/zinc/66/77/20/606667720.db2.gz IFCXDIJBDFODPO-UHFFFAOYSA-N -1 3 371.391 3.126 20 0 FGADHM C[C@]1(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)CCCO1 ZINC000820576949 606677994 /nfs/dbraw/zinc/67/79/94/606677994.db2.gz DGNWNZRDKQGZLY-LJQANCHMSA-N -1 3 365.393 3.167 20 0 FGADHM C[C@]1(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)CCCO1 ZINC000820576949 606677995 /nfs/dbraw/zinc/67/79/95/606677995.db2.gz DGNWNZRDKQGZLY-LJQANCHMSA-N -1 3 365.393 3.167 20 0 FGADHM C[C@@H](NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)[C@@H](C)c1ccccc1 ZINC000820385801 606684826 /nfs/dbraw/zinc/68/48/26/606684826.db2.gz UNZGCTKZCMSSBB-GHMZBOCLSA-N -1 3 357.364 3.067 20 0 FGADHM C[C@@H](NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)[C@@H](C)c1ccccc1 ZINC000820385801 606684827 /nfs/dbraw/zinc/68/48/27/606684827.db2.gz UNZGCTKZCMSSBB-GHMZBOCLSA-N -1 3 357.364 3.067 20 0 FGADHM C[C@H](OC(=O)CCSc1ccccn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820494591 606684868 /nfs/dbraw/zinc/68/48/68/606684868.db2.gz BIGBBZRQQLLTDV-LBPRGKRZSA-N -1 3 355.423 3.048 20 0 FGADHM C[C@H](OC(=O)CCSc1ccccn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820494591 606684869 /nfs/dbraw/zinc/68/48/69/606684869.db2.gz BIGBBZRQQLLTDV-LBPRGKRZSA-N -1 3 355.423 3.048 20 0 FGADHM C[C@@H]1CSc2ccccc2N1C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820814698 606685643 /nfs/dbraw/zinc/68/56/43/606685643.db2.gz XLFUSUMDYTVEBR-SECBINFHSA-N -1 3 373.388 3.286 20 0 FGADHM C[C@@H]1CSc2ccccc2N1C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820814698 606685644 /nfs/dbraw/zinc/68/56/44/606685644.db2.gz XLFUSUMDYTVEBR-SECBINFHSA-N -1 3 373.388 3.286 20 0 FGADHM C[C@@H](OC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1cc(F)cc(F)c1 ZINC000820488217 606686320 /nfs/dbraw/zinc/68/63/20/606686320.db2.gz MEYAFDAJIATRLG-JMEBYUIHSA-N -1 3 356.332 3.463 20 0 FGADHM C[C@@H](OC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1cc(F)cc(F)c1 ZINC000820488217 606686321 /nfs/dbraw/zinc/68/63/21/606686321.db2.gz MEYAFDAJIATRLG-JMEBYUIHSA-N -1 3 356.332 3.463 20 0 FGADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)O[C@H](C)c1cc(F)cc(F)c1 ZINC000820550822 606686497 /nfs/dbraw/zinc/68/64/97/606686497.db2.gz ZLSBPBLQINXYPO-GHMZBOCLSA-N -1 3 374.347 3.217 20 0 FGADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)O[C@H](C)c1cc(F)cc(F)c1 ZINC000820550822 606686498 /nfs/dbraw/zinc/68/64/98/606686498.db2.gz ZLSBPBLQINXYPO-GHMZBOCLSA-N -1 3 374.347 3.217 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N1CC[C@@H](c2ccc(F)cc2)C1 ZINC000823308530 606696265 /nfs/dbraw/zinc/69/62/65/606696265.db2.gz DCCVJYPSHLNJTR-CQSZACIVSA-N -1 3 352.373 3.027 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N1CC[C@@H](c2ccc(F)cc2)C1 ZINC000823308530 606696266 /nfs/dbraw/zinc/69/62/66/606696266.db2.gz DCCVJYPSHLNJTR-CQSZACIVSA-N -1 3 352.373 3.027 20 0 FGADHM C[C@@]1(c2ccccc2)CCN(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000820635211 606697128 /nfs/dbraw/zinc/69/71/28/606697128.db2.gz KJNBYTNFFJRJJE-LJQANCHMSA-N -1 3 366.400 3.201 20 0 FGADHM C[C@@]1(c2ccccc2)CCN(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000820635211 606697129 /nfs/dbraw/zinc/69/71/29/606697129.db2.gz KJNBYTNFFJRJJE-LJQANCHMSA-N -1 3 366.400 3.201 20 0 FGADHM CCCc1ccccc1NCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000821143011 606698039 /nfs/dbraw/zinc/69/80/39/606698039.db2.gz ODSKLKCCJRBIDZ-UHFFFAOYSA-N -1 3 361.409 3.481 20 0 FGADHM CCCc1ccccc1NCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000821143011 606698041 /nfs/dbraw/zinc/69/80/41/606698041.db2.gz ODSKLKCCJRBIDZ-UHFFFAOYSA-N -1 3 361.409 3.481 20 0 FGADHM Cc1nc(CC(C)C)c(NC(=O)Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000822436623 606747824 /nfs/dbraw/zinc/74/78/24/606747824.db2.gz PAFKFZDEOSIWIR-UHFFFAOYSA-N -1 3 356.455 3.011 20 0 FGADHM Cc1nc(CC(C)C)c(NC(=O)Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000822436623 606747825 /nfs/dbraw/zinc/74/78/25/606747825.db2.gz PAFKFZDEOSIWIR-UHFFFAOYSA-N -1 3 356.455 3.011 20 0 FGADHM Fc1cc(COc2cc(Cl)ccc2-c2nnn[n-]2)c2c(c1)COCO2 ZINC000822753931 606782823 /nfs/dbraw/zinc/78/28/23/606782823.db2.gz RREXIYWMGHZKLJ-UHFFFAOYSA-N -1 3 362.748 3.105 20 0 FGADHM Fc1cc(COc2cc(Cl)ccc2-c2nn[n-]n2)c2c(c1)COCO2 ZINC000822753931 606782825 /nfs/dbraw/zinc/78/28/25/606782825.db2.gz RREXIYWMGHZKLJ-UHFFFAOYSA-N -1 3 362.748 3.105 20 0 FGADHM Cc1ccc(C)c([C@@H]2CCCN2C(=O)Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822230679 606807575 /nfs/dbraw/zinc/80/75/75/606807575.db2.gz NJQLDAZJRKXWEY-IBGZPJMESA-N -1 3 361.449 3.390 20 0 FGADHM Cc1ccc(C)c([C@@H]2CCCN2C(=O)Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822230679 606807578 /nfs/dbraw/zinc/80/75/78/606807578.db2.gz NJQLDAZJRKXWEY-IBGZPJMESA-N -1 3 361.449 3.390 20 0 FGADHM O=C([C@@H]1CCSC1)N(Cc1ccccc1)c1ccccc1-c1nnn[n-]1 ZINC000822917121 606811530 /nfs/dbraw/zinc/81/15/30/606811530.db2.gz NXJHMOWTSXDGJZ-OAHLLOKOSA-N -1 3 365.462 3.153 20 0 FGADHM O=C([C@@H]1CCSC1)N(Cc1ccccc1)c1ccccc1-c1nn[n-]n1 ZINC000822917121 606811532 /nfs/dbraw/zinc/81/15/32/606811532.db2.gz NXJHMOWTSXDGJZ-OAHLLOKOSA-N -1 3 365.462 3.153 20 0 FGADHM CC(C)N(C(=O)CNc1ccc(Cl)c(-c2nnn[n-]2)c1)C1CCCC1 ZINC000820112553 606825990 /nfs/dbraw/zinc/82/59/90/606825990.db2.gz YCJWRDAGLUOWDL-UHFFFAOYSA-N -1 3 362.865 3.112 20 0 FGADHM CC(C)N(C(=O)CNc1ccc(Cl)c(-c2nn[n-]n2)c1)C1CCCC1 ZINC000820112553 606825992 /nfs/dbraw/zinc/82/59/92/606825992.db2.gz YCJWRDAGLUOWDL-UHFFFAOYSA-N -1 3 362.865 3.112 20 0 FGADHM CCN(C(=O)CNc1cccc(-c2nnn[n-]2)c1)[C@@H](C)c1ccc(F)cc1 ZINC000821154363 606826582 /nfs/dbraw/zinc/82/65/82/606826582.db2.gz MPQFRESZUZAGNY-ZDUSSCGKSA-N -1 3 368.416 3.027 20 0 FGADHM CCN(C(=O)CNc1cccc(-c2nn[n-]n2)c1)[C@@H](C)c1ccc(F)cc1 ZINC000821154363 606826584 /nfs/dbraw/zinc/82/65/84/606826584.db2.gz MPQFRESZUZAGNY-ZDUSSCGKSA-N -1 3 368.416 3.027 20 0 FGADHM O[C@@H](CSc1ccc(C(F)(F)F)cn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823699624 606848053 /nfs/dbraw/zinc/84/80/53/606848053.db2.gz WNGJSOGBWPVMKX-LBPRGKRZSA-N -1 3 367.356 3.106 20 0 FGADHM O[C@@H](CSc1ccc(C(F)(F)F)cn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823699624 606848055 /nfs/dbraw/zinc/84/80/55/606848055.db2.gz WNGJSOGBWPVMKX-LBPRGKRZSA-N -1 3 367.356 3.106 20 0 FGADHM CC1CCC(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2Cl)CC1 ZINC000820690197 606851081 /nfs/dbraw/zinc/85/10/81/606851081.db2.gz HICCOYNWEQBSRM-UHFFFAOYSA-N -1 3 365.890 3.307 20 0 FGADHM CC1CCC(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000820690197 606851083 /nfs/dbraw/zinc/85/10/83/606851083.db2.gz HICCOYNWEQBSRM-UHFFFAOYSA-N -1 3 365.890 3.307 20 0 FGADHM CN(C(=O)CSc1ccc(-c2nnn[n-]2)cc1Cl)c1ccccc1 ZINC000821570787 606851687 /nfs/dbraw/zinc/85/16/87/606851687.db2.gz LERIMSXNMHQGRL-UHFFFAOYSA-N -1 3 359.842 3.275 20 0 FGADHM CN(C(=O)CSc1ccc(-c2nn[n-]n2)cc1Cl)c1ccccc1 ZINC000821570787 606851688 /nfs/dbraw/zinc/85/16/88/606851688.db2.gz LERIMSXNMHQGRL-UHFFFAOYSA-N -1 3 359.842 3.275 20 0 FGADHM COc1cc(C)c(NCCCOc2cccc(-c3nnn[n-]3)c2)cc1OC ZINC000821708199 606861684 /nfs/dbraw/zinc/86/16/84/606861684.db2.gz LNOKBAGXYXHSBV-UHFFFAOYSA-N -1 3 369.425 3.073 20 0 FGADHM COc1cc(C)c(NCCCOc2cccc(-c3nn[n-]n3)c2)cc1OC ZINC000821708199 606861686 /nfs/dbraw/zinc/86/16/86/606861686.db2.gz LNOKBAGXYXHSBV-UHFFFAOYSA-N -1 3 369.425 3.073 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cc(F)c(C)cc1F ZINC000821412576 606862330 /nfs/dbraw/zinc/86/23/30/606862330.db2.gz OUNJXRUPHRRYCT-UHFFFAOYSA-N -1 3 359.336 3.104 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(F)c(C)cc1F ZINC000821412576 606862331 /nfs/dbraw/zinc/86/23/31/606862331.db2.gz OUNJXRUPHRRYCT-UHFFFAOYSA-N -1 3 359.336 3.104 20 0 FGADHM Fc1cc(-c2nnn[n-]2)cc(F)c1N1CCC[C@H](Nc2ccccc2)C1 ZINC000822736307 606875774 /nfs/dbraw/zinc/87/57/74/606875774.db2.gz DEEJNQCQKJZLNZ-AWEZNQCLSA-N -1 3 356.380 3.226 20 0 FGADHM Fc1cc(-c2nn[n-]n2)cc(F)c1N1CCC[C@H](Nc2ccccc2)C1 ZINC000822736307 606875775 /nfs/dbraw/zinc/87/57/75/606875775.db2.gz DEEJNQCQKJZLNZ-AWEZNQCLSA-N -1 3 356.380 3.226 20 0 FGADHM c1ccc2c(c1)nc(N1CCOC3(C1)CCCCCC3)cc2-c1nnn[n-]1 ZINC000823791633 606879537 /nfs/dbraw/zinc/87/95/37/606879537.db2.gz GMHCYFMHKCUHET-UHFFFAOYSA-N -1 3 364.453 3.345 20 0 FGADHM c1ccc2c(c1)nc(N1CCOC3(C1)CCCCCC3)cc2-c1nn[n-]n1 ZINC000823791633 606879538 /nfs/dbraw/zinc/87/95/38/606879538.db2.gz GMHCYFMHKCUHET-UHFFFAOYSA-N -1 3 364.453 3.345 20 0 FGADHM Cc1cc(NCc2ccc(F)cn2)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000822209800 606881742 /nfs/dbraw/zinc/88/17/42/606881742.db2.gz XVPRLKDHTSJLGX-UHFFFAOYSA-N -1 3 374.383 3.122 20 0 FGADHM Cc1cc(NCc2ccc(F)cn2)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC000822209800 606881744 /nfs/dbraw/zinc/88/17/44/606881744.db2.gz XVPRLKDHTSJLGX-UHFFFAOYSA-N -1 3 374.383 3.122 20 0 FGADHM CC1(OC(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)CCC1 ZINC000820628659 606895427 /nfs/dbraw/zinc/89/54/27/606895427.db2.gz KPUGOMGGOSDXKS-UHFFFAOYSA-N -1 3 351.366 3.153 20 0 FGADHM CC1(OC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)CCC1 ZINC000820628659 606895429 /nfs/dbraw/zinc/89/54/29/606895429.db2.gz KPUGOMGGOSDXKS-UHFFFAOYSA-N -1 3 351.366 3.153 20 0 FGADHM CCc1nnc(NCc2ccc(SC)cc2)c(-c2nnn[n-]2)c1CC ZINC000821542350 606924737 /nfs/dbraw/zinc/92/47/37/606924737.db2.gz POSFWJKDDYIFGB-UHFFFAOYSA-N -1 3 355.471 3.116 20 0 FGADHM CCc1nnc(NCc2ccc(SC)cc2)c(-c2nn[n-]n2)c1CC ZINC000821542350 606924739 /nfs/dbraw/zinc/92/47/39/606924739.db2.gz POSFWJKDDYIFGB-UHFFFAOYSA-N -1 3 355.471 3.116 20 0 FGADHM CC(C)[C@@H](C)OC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000820016654 606925902 /nfs/dbraw/zinc/92/59/02/606925902.db2.gz NQHJUUNFKBPHQE-GFCCVEGCSA-N -1 3 356.382 3.240 20 0 FGADHM Fc1ccc(CNc2cc3c(cc2Cl)OCCO3)cc1-c1nnn[n-]1 ZINC000822772015 606926391 /nfs/dbraw/zinc/92/63/91/606926391.db2.gz PDIDQONZOBISNQ-UHFFFAOYSA-N -1 3 361.764 3.043 20 0 FGADHM Fc1ccc(CNc2cc3c(cc2Cl)OCCO3)cc1-c1nn[n-]n1 ZINC000822772015 606926393 /nfs/dbraw/zinc/92/63/93/606926393.db2.gz PDIDQONZOBISNQ-UHFFFAOYSA-N -1 3 361.764 3.043 20 0 FGADHM O[C@@H](CN(c1ccccc1F)C1CCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823675201 606929217 /nfs/dbraw/zinc/92/92/17/606929217.db2.gz VLABNBNCBDVFRT-IBGZPJMESA-N -1 3 367.428 3.488 20 0 FGADHM O[C@@H](CN(c1ccccc1F)C1CCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823675201 606929219 /nfs/dbraw/zinc/92/92/19/606929219.db2.gz VLABNBNCBDVFRT-IBGZPJMESA-N -1 3 367.428 3.488 20 0 FGADHM CC[C@H](OC(=O)c1cc(-c2nnn[n-]2)cn1C)c1c(F)cccc1Cl ZINC000820939459 606929729 /nfs/dbraw/zinc/92/97/29/606929729.db2.gz UUHPIQOXLHNGGK-ZDUSSCGKSA-N -1 3 363.780 3.306 20 0 FGADHM CC[C@H](OC(=O)c1cc(-c2nn[n-]n2)cn1C)c1c(F)cccc1Cl ZINC000820939459 606929730 /nfs/dbraw/zinc/92/97/30/606929730.db2.gz UUHPIQOXLHNGGK-ZDUSSCGKSA-N -1 3 363.780 3.306 20 0 FGADHM CCc1nnc(N2CC[C@H](c3ccccc3)[C@@H]2C)c(-c2nnn[n-]2)c1CC ZINC000821523468 606942605 /nfs/dbraw/zinc/94/26/05/606942605.db2.gz WTWWULOLEXOXQE-BBRMVZONSA-N -1 3 363.469 3.164 20 0 FGADHM CCc1nnc(N2CC[C@H](c3ccccc3)[C@@H]2C)c(-c2nn[n-]n2)c1CC ZINC000821523468 606942607 /nfs/dbraw/zinc/94/26/07/606942607.db2.gz WTWWULOLEXOXQE-BBRMVZONSA-N -1 3 363.469 3.164 20 0 FGADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OC/C(Cl)=C\Cl ZINC000820031625 606946536 /nfs/dbraw/zinc/94/65/36/606946536.db2.gz GOXBXVQXONKEAF-UTSBKAFOSA-N -1 3 371.224 3.132 20 0 FGADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)OC/C(Cl)=C\Cl ZINC000820031625 606946537 /nfs/dbraw/zinc/94/65/37/606946537.db2.gz GOXBXVQXONKEAF-UTSBKAFOSA-N -1 3 371.224 3.132 20 0 FGADHM Cc1ccc(CNc2ccc(-c3nn[n-]n3)cc2F)c(O[C@H]2CCOC2)c1 ZINC000822238873 606948047 /nfs/dbraw/zinc/94/80/47/606948047.db2.gz YFZYWDABKVKDMG-HNNXBMFYSA-N -1 3 369.400 3.094 20 0 FGADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)COC/C=C/c2ccccc2)s1 ZINC000821466014 606957105 /nfs/dbraw/zinc/95/71/05/606957105.db2.gz UMDFOORXYHJBBI-RMKNXTFCSA-N -1 3 369.450 3.159 20 0 FGADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)COC/C=C/c2ccccc2)s1 ZINC000821466014 606957107 /nfs/dbraw/zinc/95/71/07/606957107.db2.gz UMDFOORXYHJBBI-RMKNXTFCSA-N -1 3 369.450 3.159 20 0 FGADHM C[C@H]1CC[C@@H](C(=O)Nc2sc(-c3ccccc3)cc2-c2nnn[n-]2)O1 ZINC000820678648 606957481 /nfs/dbraw/zinc/95/74/81/606957481.db2.gz WTPARTVHAWLSCP-GWCFXTLKSA-N -1 3 355.423 3.101 20 0 FGADHM C[C@H]1CC[C@@H](C(=O)Nc2sc(-c3ccccc3)cc2-c2nn[n-]n2)O1 ZINC000820678648 606957482 /nfs/dbraw/zinc/95/74/82/606957482.db2.gz WTPARTVHAWLSCP-GWCFXTLKSA-N -1 3 355.423 3.101 20 0 FGADHM CN(C(=O)c1cnc(C2CC2)s1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821574323 606961421 /nfs/dbraw/zinc/96/14/21/606961421.db2.gz BDPHJLZGCHIYTJ-UHFFFAOYSA-N -1 3 360.830 3.131 20 0 FGADHM CN(C(=O)c1cnc(C2CC2)s1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821574323 606961423 /nfs/dbraw/zinc/96/14/23/606961423.db2.gz BDPHJLZGCHIYTJ-UHFFFAOYSA-N -1 3 360.830 3.131 20 0 FGADHM Cc1cc(C(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)nn1C(C)(C)C ZINC000822168554 606965683 /nfs/dbraw/zinc/96/56/83/606965683.db2.gz PQYICUPOXMMZIW-UHFFFAOYSA-N -1 3 373.848 3.057 20 0 FGADHM Cc1cc(C(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)nn1C(C)(C)C ZINC000822168554 606965684 /nfs/dbraw/zinc/96/56/84/606965684.db2.gz PQYICUPOXMMZIW-UHFFFAOYSA-N -1 3 373.848 3.057 20 0 FGADHM Fc1ccc(CN2CCO[C@H](c3ccccc3Cl)C2)cc1-c1nnn[n-]1 ZINC000822771331 606968785 /nfs/dbraw/zinc/96/87/85/606968785.db2.gz GAQHBLICXJXTEL-KRWDZBQOSA-N -1 3 373.819 3.233 20 0 FGADHM Fc1ccc(CN2CCO[C@H](c3ccccc3Cl)C2)cc1-c1nn[n-]n1 ZINC000822771331 606968787 /nfs/dbraw/zinc/96/87/87/606968787.db2.gz GAQHBLICXJXTEL-KRWDZBQOSA-N -1 3 373.819 3.233 20 0 FGADHM Cc1ccc(F)cc1NC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000822241304 606979394 /nfs/dbraw/zinc/97/93/94/606979394.db2.gz RDGBMBCWFSLTPB-UHFFFAOYSA-N -1 3 355.373 3.110 20 0 FGADHM Cc1ccc(F)cc1NC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000822241304 606979396 /nfs/dbraw/zinc/97/93/96/606979396.db2.gz RDGBMBCWFSLTPB-UHFFFAOYSA-N -1 3 355.373 3.110 20 0 FGADHM Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000822207123 606987404 /nfs/dbraw/zinc/98/74/04/606987404.db2.gz LJRYPQSKGQSBOM-ZDUSSCGKSA-N -1 3 365.441 3.134 20 0 FGADHM Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000822207123 606987405 /nfs/dbraw/zinc/98/74/05/606987405.db2.gz LJRYPQSKGQSBOM-ZDUSSCGKSA-N -1 3 365.441 3.134 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)c1cccc(C(F)(F)F)c1 ZINC000823426184 606990803 /nfs/dbraw/zinc/99/08/03/606990803.db2.gz BYYCHSTXGMLRES-UHFFFAOYSA-N -1 3 366.274 3.382 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)c1cccc(C(F)(F)F)c1 ZINC000823426184 606990804 /nfs/dbraw/zinc/99/08/04/606990804.db2.gz BYYCHSTXGMLRES-UHFFFAOYSA-N -1 3 366.274 3.382 20 0 FGADHM COc1ccc(C(C)(C)C(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821773028 606992289 /nfs/dbraw/zinc/99/22/89/606992289.db2.gz XDJZPXIQUJAULW-ZDUSSCGKSA-N -1 3 365.437 3.030 20 0 FGADHM COc1ccc(C(C)(C)C(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821773028 606992291 /nfs/dbraw/zinc/99/22/91/606992291.db2.gz XDJZPXIQUJAULW-ZDUSSCGKSA-N -1 3 365.437 3.030 20 0 FGADHM O=C(CCc1ccc(Cl)cc1)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822978776 606993762 /nfs/dbraw/zinc/99/37/62/606993762.db2.gz QPALDIIULZLZER-UHFFFAOYSA-N -1 3 360.776 3.335 20 0 FGADHM O=C(CCc1ccc(Cl)cc1)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822978776 606993763 /nfs/dbraw/zinc/99/37/63/606993763.db2.gz QPALDIIULZLZER-UHFFFAOYSA-N -1 3 360.776 3.335 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000823421999 607002381 /nfs/dbraw/zinc/00/23/81/607002381.db2.gz MRJWEYPBAUBKJU-AAEUAGOBSA-N -1 3 374.322 3.131 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000823421999 607002382 /nfs/dbraw/zinc/00/23/82/607002382.db2.gz MRJWEYPBAUBKJU-AAEUAGOBSA-N -1 3 374.322 3.131 20 0 FGADHM Cc1cc(C)cc(N(C)C(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822196605 607009542 /nfs/dbraw/zinc/00/95/42/607009542.db2.gz PQLZMNFIUZXRBU-UHFFFAOYSA-N -1 3 365.437 3.304 20 0 FGADHM Cc1cc(C)cc(N(C)C(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822196605 607009544 /nfs/dbraw/zinc/00/95/44/607009544.db2.gz PQLZMNFIUZXRBU-UHFFFAOYSA-N -1 3 365.437 3.304 20 0 FGADHM c1cc(SCCCc2nc(-c3ccncc3)no2)cc(-c2nnn[n-]2)c1 ZINC000823762707 607012914 /nfs/dbraw/zinc/01/29/14/607012914.db2.gz TVUARFQYZPDLKA-UHFFFAOYSA-N -1 3 365.422 3.037 20 0 FGADHM c1cc(SCCCc2nc(-c3ccncc3)no2)cc(-c2nn[n-]n2)c1 ZINC000823762707 607012915 /nfs/dbraw/zinc/01/29/15/607012915.db2.gz TVUARFQYZPDLKA-UHFFFAOYSA-N -1 3 365.422 3.037 20 0 FGADHM O=C(CSc1cccc(-c2nnn[n-]2)c1)N(Cc1ccccc1)C1CC1 ZINC000823070653 607017703 /nfs/dbraw/zinc/01/77/03/607017703.db2.gz JDMWLZYLMWFTFT-UHFFFAOYSA-N -1 3 365.462 3.150 20 0 FGADHM O=C(CSc1cccc(-c2nn[n-]n2)c1)N(Cc1ccccc1)C1CC1 ZINC000823070653 607017705 /nfs/dbraw/zinc/01/77/05/607017705.db2.gz JDMWLZYLMWFTFT-UHFFFAOYSA-N -1 3 365.462 3.150 20 0 FGADHM CC(C)CN(C(=O)C[C@@H](C)c1ccncc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820081799 607018313 /nfs/dbraw/zinc/01/83/13/607018313.db2.gz WDPZXPOJAYPEFD-OAHLLOKOSA-N -1 3 364.453 3.445 20 0 FGADHM CC(C)CN(C(=O)C[C@@H](C)c1ccncc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820081799 607018315 /nfs/dbraw/zinc/01/83/15/607018315.db2.gz WDPZXPOJAYPEFD-OAHLLOKOSA-N -1 3 364.453 3.445 20 0 FGADHM FC(F)(F)c1ccc(N2CCOC3(CCCC3)C2)c(-c2nnn[n-]2)c1 ZINC000822723689 607031843 /nfs/dbraw/zinc/03/18/43/607031843.db2.gz KVQYMZJOBRNCHU-UHFFFAOYSA-N -1 3 353.348 3.035 20 0 FGADHM FC(F)(F)c1ccc(N2CCOC3(CCCC3)C2)c(-c2nn[n-]n2)c1 ZINC000822723689 607031844 /nfs/dbraw/zinc/03/18/44/607031844.db2.gz KVQYMZJOBRNCHU-UHFFFAOYSA-N -1 3 353.348 3.035 20 0 FGADHM Fc1ccc(NCc2ccc(-c3nnn[n-]3)cc2OC(F)F)cc1F ZINC000822783141 607034044 /nfs/dbraw/zinc/03/40/44/607034044.db2.gz XEJUHRPNPPEGRW-UHFFFAOYSA-N -1 3 353.279 3.358 20 0 FGADHM Fc1ccc(NCc2ccc(-c3nn[n-]n3)cc2OC(F)F)cc1F ZINC000822783141 607034046 /nfs/dbraw/zinc/03/40/46/607034046.db2.gz XEJUHRPNPPEGRW-UHFFFAOYSA-N -1 3 353.279 3.358 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)C=C(C1CC1)C1CC1 ZINC000821118192 607042533 /nfs/dbraw/zinc/04/25/33/607042533.db2.gz IFCQUBSDRHBGCW-UHFFFAOYSA-N -1 3 352.442 3.374 20 0 FGADHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000819997341 607046192 /nfs/dbraw/zinc/04/61/92/607046192.db2.gz UDVXBENCFCJFJJ-NUEKZKHPSA-N -1 3 369.469 3.109 20 0 FGADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000819997341 607046194 /nfs/dbraw/zinc/04/61/94/607046194.db2.gz UDVXBENCFCJFJJ-NUEKZKHPSA-N -1 3 369.469 3.109 20 0 FGADHM Fc1ccc(-c2nnn[n-]2)c(CN(Cc2ccco2)Cc2ccco2)c1 ZINC000822757920 607057059 /nfs/dbraw/zinc/05/70/59/607057059.db2.gz HLFXTFRFSMNYFR-UHFFFAOYSA-N -1 3 353.357 3.394 20 0 FGADHM Fc1ccc(-c2nn[n-]n2)c(CN(Cc2ccco2)Cc2ccco2)c1 ZINC000822757920 607057061 /nfs/dbraw/zinc/05/70/61/607057061.db2.gz HLFXTFRFSMNYFR-UHFFFAOYSA-N -1 3 353.357 3.394 20 0 FGADHM C[C@@H](NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1)c1cnccn1 ZINC000820433356 607070810 /nfs/dbraw/zinc/07/08/10/607070810.db2.gz YDSKSDWTLLYNPI-GFCCVEGCSA-N -1 3 363.450 3.236 20 0 FGADHM Cc1ccn(-c2ccccc2NC(=O)C=Cc2ccccc2-c2nnn[n-]2)n1 ZINC000822370245 607072300 /nfs/dbraw/zinc/07/23/00/607072300.db2.gz UPCNZUSUTZVEPT-ZHACJKMWSA-N -1 3 371.404 3.013 20 0 FGADHM Cc1ccn(-c2ccccc2NC(=O)C=Cc2ccccc2-c2nn[n-]n2)n1 ZINC000822370245 607072302 /nfs/dbraw/zinc/07/23/02/607072302.db2.gz UPCNZUSUTZVEPT-ZHACJKMWSA-N -1 3 371.404 3.013 20 0 FGADHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000823413233 607084190 /nfs/dbraw/zinc/08/41/90/607084190.db2.gz CRMUECIJAWZTIQ-CHWSQXEVSA-N -1 3 374.322 3.131 20 0 FGADHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000823413233 607084192 /nfs/dbraw/zinc/08/41/92/607084192.db2.gz CRMUECIJAWZTIQ-CHWSQXEVSA-N -1 3 374.322 3.131 20 0 FGADHM CN(c1nc(COc2ccc(-c3nnn[n-]3)cc2Cl)cs1)C1CC1 ZINC000821619048 607097149 /nfs/dbraw/zinc/09/71/49/607097149.db2.gz HAVZLTVJMHJLPF-UHFFFAOYSA-N -1 3 362.846 3.154 20 0 FGADHM CN(c1nc(COc2ccc(-c3nn[n-]n3)cc2Cl)cs1)C1CC1 ZINC000821619048 607097150 /nfs/dbraw/zinc/09/71/50/607097150.db2.gz HAVZLTVJMHJLPF-UHFFFAOYSA-N -1 3 362.846 3.154 20 0 FGADHM O=C(/C=C/SCc1ccco1)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000822923431 607114024 /nfs/dbraw/zinc/11/40/24/607114024.db2.gz RNYZLXOAULVIKA-FNORWQNLSA-N -1 3 360.370 3.089 20 0 FGADHM O=C(/C=C/SCc1ccco1)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000822923431 607114026 /nfs/dbraw/zinc/11/40/26/607114026.db2.gz RNYZLXOAULVIKA-FNORWQNLSA-N -1 3 360.370 3.089 20 0 FGADHM O=C(Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)NC1CC=CC1 ZINC000823367697 607138152 /nfs/dbraw/zinc/13/81/52/607138152.db2.gz NQDHTQKHIBYJPR-UHFFFAOYSA-N -1 3 362.393 3.499 20 0 FGADHM O=C(Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)NC1CC=CC1 ZINC000823367697 607138154 /nfs/dbraw/zinc/13/81/54/607138154.db2.gz NQDHTQKHIBYJPR-UHFFFAOYSA-N -1 3 362.393 3.499 20 0 FGADHM Cc1cccc(NC(=O)[C@@H](C)Oc2ccc(-c3nnn[n-]3)cc2F)c1C ZINC000822324031 607138302 /nfs/dbraw/zinc/13/83/02/607138302.db2.gz SIFZGPXXCFJNMY-GFCCVEGCSA-N -1 3 355.373 3.029 20 0 FGADHM Cc1cccc(NC(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2F)c1C ZINC000822324031 607138304 /nfs/dbraw/zinc/13/83/04/607138304.db2.gz SIFZGPXXCFJNMY-GFCCVEGCSA-N -1 3 355.373 3.029 20 0 FGADHM C[C@H](Oc1ccc(-c2nnn[n-]2)cc1F)c1nc(-c2cccs2)no1 ZINC000820533386 607138736 /nfs/dbraw/zinc/13/87/36/607138736.db2.gz DUWOMQZOVRQODA-QMMMGPOBSA-N -1 3 358.358 3.257 20 0 FGADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1F)c1nc(-c2cccs2)no1 ZINC000820533386 607138737 /nfs/dbraw/zinc/13/87/37/607138737.db2.gz DUWOMQZOVRQODA-QMMMGPOBSA-N -1 3 358.358 3.257 20 0 FGADHM C[C@@H](COc1ccccc1)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820294525 607149685 /nfs/dbraw/zinc/14/96/85/607149685.db2.gz UGWHTUDBZFAARG-NSHDSACASA-N -1 3 357.801 3.174 20 0 FGADHM C[C@@H](COc1ccccc1)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820294525 607149686 /nfs/dbraw/zinc/14/96/86/607149686.db2.gz UGWHTUDBZFAARG-NSHDSACASA-N -1 3 357.801 3.174 20 0 FGADHM C[C@@H](NC(=O)[C@H](C)OC1CCCCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820519969 607151990 /nfs/dbraw/zinc/15/19/90/607151990.db2.gz XSWPPRCRQPWOTQ-KGLIPLIRSA-N -1 3 357.458 3.172 20 0 FGADHM C[C@@H](NC(=O)[C@H](C)OC1CCCCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820519969 607151991 /nfs/dbraw/zinc/15/19/91/607151991.db2.gz XSWPPRCRQPWOTQ-KGLIPLIRSA-N -1 3 357.458 3.172 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(F)cc1C(F)(F)F ZINC000823338026 607154709 /nfs/dbraw/zinc/15/47/09/607154709.db2.gz WOASUNSWIFRSAF-UHFFFAOYSA-N -1 3 369.253 3.416 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(F)cc1C(F)(F)F ZINC000823338026 607154710 /nfs/dbraw/zinc/15/47/10/607154710.db2.gz WOASUNSWIFRSAF-UHFFFAOYSA-N -1 3 369.253 3.416 20 0 FGADHM O=C(OCc1cc(-c2nnn[n-]2)ccc1F)c1ccc(F)c(Cl)c1 ZINC000823413335 607155568 /nfs/dbraw/zinc/15/55/68/607155568.db2.gz FQMBFTJZEUQFQV-UHFFFAOYSA-N -1 3 350.712 3.155 20 0 FGADHM O=C(OCc1cc(-c2nn[n-]n2)ccc1F)c1ccc(F)c(Cl)c1 ZINC000823413335 607155570 /nfs/dbraw/zinc/15/55/70/607155570.db2.gz FQMBFTJZEUQFQV-UHFFFAOYSA-N -1 3 350.712 3.155 20 0 FGADHM CC(C)CC[C@H]1CCCN1C(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000820072276 607163708 /nfs/dbraw/zinc/16/37/08/607163708.db2.gz DGGZTTCHKKAIDR-HUUCEWRRSA-N -1 3 357.458 3.061 20 0 FGADHM CC(C)CC[C@H]1CCCN1C(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000820072276 607163709 /nfs/dbraw/zinc/16/37/09/607163709.db2.gz DGGZTTCHKKAIDR-HUUCEWRRSA-N -1 3 357.458 3.061 20 0 FGADHM CCCCC[C@H]1CCCN1C(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000821050739 607165321 /nfs/dbraw/zinc/16/53/21/607165321.db2.gz TXMKHJVUDZWTEC-ZBFHGGJFSA-N -1 3 357.458 3.205 20 0 FGADHM Cc1ccc(-c2nnc(CNc3ccc(Cl)c(-c4nnn[n-]4)c3)o2)cc1 ZINC000822213806 607167272 /nfs/dbraw/zinc/16/72/72/607167272.db2.gz BETSGKIXWJTSJF-UHFFFAOYSA-N -1 3 367.800 3.491 20 0 FGADHM Cc1ccc(-c2nnc(CNc3ccc(Cl)c(-c4nn[n-]n4)c3)o2)cc1 ZINC000822213806 607167274 /nfs/dbraw/zinc/16/72/74/607167274.db2.gz BETSGKIXWJTSJF-UHFFFAOYSA-N -1 3 367.800 3.491 20 0 FGADHM Fc1ccc(-c2noc(CSc3ccccc3-c3nnn[n-]3)n2)cc1F ZINC000822761501 607170265 /nfs/dbraw/zinc/17/02/65/607170265.db2.gz NWFJVLBKQBNEHH-UHFFFAOYSA-N -1 3 372.360 3.487 20 0 FGADHM Fc1ccc(-c2noc(CSc3ccccc3-c3nn[n-]n3)n2)cc1F ZINC000822761501 607170266 /nfs/dbraw/zinc/17/02/66/607170266.db2.gz NWFJVLBKQBNEHH-UHFFFAOYSA-N -1 3 372.360 3.487 20 0 FGADHM C[C@@H](N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1nc(-c2ccccc2)no1 ZINC000820413820 607171953 /nfs/dbraw/zinc/17/19/53/607171953.db2.gz VZUBANUAISHZBG-QWHCGFSZSA-N -1 3 361.409 3.329 20 0 FGADHM C[C@@H](N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1nc(-c2ccccc2)no1 ZINC000820413820 607171954 /nfs/dbraw/zinc/17/19/54/607171954.db2.gz VZUBANUAISHZBG-QWHCGFSZSA-N -1 3 361.409 3.329 20 0 FGADHM CC(C)(C)CCCC(=O)NCc1nc(-c2cccc(-c3nnn[n-]3)c2)c[nH]1 ZINC000819907090 607187317 /nfs/dbraw/zinc/18/73/17/607187317.db2.gz MCBPUFZXWNVNCJ-UHFFFAOYSA-N -1 3 367.457 3.089 20 0 FGADHM CC(C)(C)CCCC(=O)NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1 ZINC000819907090 607187318 /nfs/dbraw/zinc/18/73/18/607187318.db2.gz MCBPUFZXWNVNCJ-UHFFFAOYSA-N -1 3 367.457 3.089 20 0 FGADHM O=C(C[C@@H]1OCCc2ccccc21)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000822945694 607190193 /nfs/dbraw/zinc/19/01/93/607190193.db2.gz NZBZXGQEJZGGDX-INIZCTEOSA-N -1 3 369.812 3.163 20 0 FGADHM O=C(C[C@@H]1OCCc2ccccc21)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822945694 607190194 /nfs/dbraw/zinc/19/01/94/607190194.db2.gz NZBZXGQEJZGGDX-INIZCTEOSA-N -1 3 369.812 3.163 20 0 FGADHM CCSc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cn1 ZINC000821461150 607190557 /nfs/dbraw/zinc/19/05/57/607190557.db2.gz KQELHDIPQSPMKE-UHFFFAOYSA-N -1 3 360.830 3.279 20 0 FGADHM CCSc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cn1 ZINC000821461150 607190558 /nfs/dbraw/zinc/19/05/58/607190558.db2.gz KQELHDIPQSPMKE-UHFFFAOYSA-N -1 3 360.830 3.279 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N[C@@H]1C[C@H]1Cc1ccccc1 ZINC000823319296 607195229 /nfs/dbraw/zinc/19/52/29/607195229.db2.gz RRRWRZJRTVUDFN-CZUORRHYSA-N -1 3 368.828 3.273 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N[C@@H]1C[C@H]1Cc1ccccc1 ZINC000823319296 607195230 /nfs/dbraw/zinc/19/52/30/607195230.db2.gz RRRWRZJRTVUDFN-CZUORRHYSA-N -1 3 368.828 3.273 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N(Cc1cccnc1)C1CC1 ZINC000823314578 607196134 /nfs/dbraw/zinc/19/61/34/607196134.db2.gz QTGWKMNTELALFY-UHFFFAOYSA-N -1 3 369.816 3.112 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N(Cc1cccnc1)C1CC1 ZINC000823314578 607196135 /nfs/dbraw/zinc/19/61/35/607196135.db2.gz QTGWKMNTELALFY-UHFFFAOYSA-N -1 3 369.816 3.112 20 0 FGADHM CN(Cc1ccccc1F)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821614917 607198231 /nfs/dbraw/zinc/19/82/31/607198231.db2.gz ZNQGUUWEUZXYPB-UHFFFAOYSA-N -1 3 360.780 3.323 20 0 FGADHM CN(Cc1ccccc1F)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821614917 607198232 /nfs/dbraw/zinc/19/82/32/607198232.db2.gz ZNQGUUWEUZXYPB-UHFFFAOYSA-N -1 3 360.780 3.323 20 0 FGADHM O=C(NCc1cc(F)ccc1F)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823242359 607202273 /nfs/dbraw/zinc/20/22/73/607202273.db2.gz WAKVUZNITFCVAO-UHFFFAOYSA-N -1 3 364.743 3.120 20 0 FGADHM O=C(NCc1cc(F)ccc1F)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823242359 607202274 /nfs/dbraw/zinc/20/22/74/607202274.db2.gz WAKVUZNITFCVAO-UHFFFAOYSA-N -1 3 364.743 3.120 20 0 FGADHM COc1ccc([C@H](C)NC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000821777752 607203668 /nfs/dbraw/zinc/20/36/68/607203668.db2.gz MEXZRTDCKIFZGN-JTQLQIEISA-N -1 3 372.816 3.411 20 0 FGADHM COc1ccc([C@H](C)NC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000821777752 607203669 /nfs/dbraw/zinc/20/36/69/607203669.db2.gz MEXZRTDCKIFZGN-JTQLQIEISA-N -1 3 372.816 3.411 20 0 FGADHM COc1ccccc1[C@H](NCc1ccc(-c2nnn[n-]2)s1)c1ccco1 ZINC000821882500 607229627 /nfs/dbraw/zinc/22/96/27/607229627.db2.gz CKCVCLBULVILHL-KRWDZBQOSA-N -1 3 367.434 3.409 20 0 FGADHM COc1ccccc1[C@H](NCc1ccc(-c2nn[n-]n2)s1)c1ccco1 ZINC000821882500 607229628 /nfs/dbraw/zinc/22/96/28/607229628.db2.gz CKCVCLBULVILHL-KRWDZBQOSA-N -1 3 367.434 3.409 20 0 FGADHM Cc1nc2ccc(NC(=O)c3ncc(-c4nnn[n-]4)cc3Cl)cc2s1 ZINC000822462368 607232238 /nfs/dbraw/zinc/23/22/38/607232238.db2.gz IEPOISMRSCQYGL-UHFFFAOYSA-N -1 3 371.813 3.086 20 0 FGADHM Cc1nc2ccc(NC(=O)c3ncc(-c4nn[n-]n4)cc3Cl)cc2s1 ZINC000822462368 607232239 /nfs/dbraw/zinc/23/22/39/607232239.db2.gz IEPOISMRSCQYGL-UHFFFAOYSA-N -1 3 371.813 3.086 20 0 FGADHM Cc1ccc(OCCCC(=O)Nc2ccc(-c3nnn[n-]3)cn2)c(Cl)c1 ZINC000822263260 607238203 /nfs/dbraw/zinc/23/82/03/607238203.db2.gz KFAQTBAPEHGBKJ-UHFFFAOYSA-N -1 3 372.816 3.021 20 0 FGADHM Cc1ccc(OCCCC(=O)Nc2ccc(-c3nn[n-]n3)cn2)c(Cl)c1 ZINC000822263260 607238204 /nfs/dbraw/zinc/23/82/04/607238204.db2.gz KFAQTBAPEHGBKJ-UHFFFAOYSA-N -1 3 372.816 3.021 20 0 FGADHM CC(C)c1cc(C(=O)Oc2ccc(-c3nnn[n-]3)cc2F)nn1C(C)(C)C ZINC000820187574 607244024 /nfs/dbraw/zinc/24/40/24/607244024.db2.gz HYLQTVGHZBOEDL-UHFFFAOYSA-N -1 3 372.404 3.300 20 0 FGADHM CC(C)c1cc(C(=O)Oc2ccc(-c3nn[n-]n3)cc2F)nn1C(C)(C)C ZINC000820187574 607244025 /nfs/dbraw/zinc/24/40/25/607244025.db2.gz HYLQTVGHZBOEDL-UHFFFAOYSA-N -1 3 372.404 3.300 20 0 FGADHM COc1cccc([C@@H](C)CC(=O)Oc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000821860120 607246343 /nfs/dbraw/zinc/24/63/43/607246343.db2.gz XITVOORKCZYOTO-NSHDSACASA-N -1 3 356.357 3.114 20 0 FGADHM COc1cccc([C@@H](C)CC(=O)Oc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000821860120 607246344 /nfs/dbraw/zinc/24/63/44/607246344.db2.gz XITVOORKCZYOTO-NSHDSACASA-N -1 3 356.357 3.114 20 0 FGADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)c1nc(-c2ccccc2)cs1 ZINC000823450222 607246474 /nfs/dbraw/zinc/24/64/74/607246474.db2.gz KPTXMSGPNREDIY-UHFFFAOYSA-N -1 3 367.365 3.349 20 0 FGADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)c1nc(-c2ccccc2)cs1 ZINC000823450222 607246475 /nfs/dbraw/zinc/24/64/75/607246475.db2.gz KPTXMSGPNREDIY-UHFFFAOYSA-N -1 3 367.365 3.349 20 0 FGADHM O=C(CSc1ccccc1Cl)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000823071019 607249744 /nfs/dbraw/zinc/24/97/44/607249744.db2.gz XROQBHGMARYQGT-UHFFFAOYSA-N -1 3 364.789 3.357 20 0 FGADHM O=C(CSc1ccccc1Cl)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000823071019 607249745 /nfs/dbraw/zinc/24/97/45/607249745.db2.gz XROQBHGMARYQGT-UHFFFAOYSA-N -1 3 364.789 3.357 20 0 FGADHM Cc1ccc(CCC(=O)N(C)c2ccccc2-c2nnn[n-]2)cc1Cl ZINC000826287349 607787904 /nfs/dbraw/zinc/78/79/04/607787904.db2.gz LQASSNGLASWKCO-UHFFFAOYSA-N -1 3 355.829 3.424 20 0 FGADHM Cc1ccc(CCC(=O)N(C)c2ccccc2-c2nn[n-]n2)cc1Cl ZINC000826287349 607787905 /nfs/dbraw/zinc/78/79/05/607787905.db2.gz LQASSNGLASWKCO-UHFFFAOYSA-N -1 3 355.829 3.424 20 0 FGADHM C[C@H](CSCc1ccccc1)C(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC000824450689 607788840 /nfs/dbraw/zinc/78/88/40/607788840.db2.gz YAVOYNDKJUEEFH-CQSZACIVSA-N -1 3 367.478 3.399 20 0 FGADHM C[C@H](CSCc1ccccc1)C(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC000824450689 607788841 /nfs/dbraw/zinc/78/88/41/607788841.db2.gz YAVOYNDKJUEEFH-CQSZACIVSA-N -1 3 367.478 3.399 20 0 FGADHM CC(C)(CNC(=O)CSc1ccc(-c2nnn[n-]2)cc1)C1CCCC1 ZINC000824157810 607794312 /nfs/dbraw/zinc/79/43/12/607794312.db2.gz NKPCHDNXZPJRGT-UHFFFAOYSA-N -1 3 359.499 3.291 20 0 FGADHM CC(C)(CNC(=O)CSc1ccc(-c2nn[n-]n2)cc1)C1CCCC1 ZINC000824157810 607794313 /nfs/dbraw/zinc/79/43/13/607794313.db2.gz NKPCHDNXZPJRGT-UHFFFAOYSA-N -1 3 359.499 3.291 20 0 FGADHM COCCN(C(=O)c1cc(Cl)ccc1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826157291 607795829 /nfs/dbraw/zinc/79/58/29/607795829.db2.gz PBXJRWHSMLILRQ-UHFFFAOYSA-N -1 3 371.828 3.122 20 0 FGADHM COCCN(C(=O)c1cc(Cl)ccc1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826157291 607795830 /nfs/dbraw/zinc/79/58/30/607795830.db2.gz PBXJRWHSMLILRQ-UHFFFAOYSA-N -1 3 371.828 3.122 20 0 FGADHM CC(C)(CNC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)C1CCCC1 ZINC000824158430 607806903 /nfs/dbraw/zinc/80/69/03/607806903.db2.gz WQEQXAAIVJWJFZ-UHFFFAOYSA-N -1 3 368.485 3.371 20 0 FGADHM CC(C)(CNC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1)C1CCCC1 ZINC000824158430 607806904 /nfs/dbraw/zinc/80/69/04/607806904.db2.gz WQEQXAAIVJWJFZ-UHFFFAOYSA-N -1 3 368.485 3.371 20 0 FGADHM CC(C)(C)SCCCC(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000824123871 607826271 /nfs/dbraw/zinc/82/62/71/607826271.db2.gz KPJLOUVYZCHIKT-UHFFFAOYSA-N -1 3 352.435 3.361 20 0 FGADHM CC(C)(C)SCCCC(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000824123871 607826272 /nfs/dbraw/zinc/82/62/72/607826272.db2.gz KPJLOUVYZCHIKT-UHFFFAOYSA-N -1 3 352.435 3.361 20 0 FGADHM O=C(c1c(Cl)cc(-c2nnn[n-]2)cc1Cl)N1CCc2ccccc21 ZINC000826468612 607832943 /nfs/dbraw/zinc/83/29/43/607832943.db2.gz ADZQXZKJUFFEGK-UHFFFAOYSA-N -1 3 360.204 3.376 20 0 FGADHM O=C(c1c(Cl)cc(-c2nn[n-]n2)cc1Cl)N1CCc2ccccc21 ZINC000826468612 607832944 /nfs/dbraw/zinc/83/29/44/607832944.db2.gz ADZQXZKJUFFEGK-UHFFFAOYSA-N -1 3 360.204 3.376 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1cccnc1-c1ccccc1 ZINC000826423642 607856053 /nfs/dbraw/zinc/85/60/53/607856053.db2.gz ZCGGJFZGVUCSQQ-UHFFFAOYSA-N -1 3 356.389 3.110 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1cccnc1-c1ccccc1 ZINC000826423642 607856054 /nfs/dbraw/zinc/85/60/54/607856054.db2.gz ZCGGJFZGVUCSQQ-UHFFFAOYSA-N -1 3 356.389 3.110 20 0 FGADHM CCOc1ccccc1N(C)C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000825654211 607862159 /nfs/dbraw/zinc/86/21/59/607862159.db2.gz RPRKXCROQVFQCK-UHFFFAOYSA-N -1 3 369.450 3.021 20 0 FGADHM CCOc1ccccc1N(C)C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000825654211 607862160 /nfs/dbraw/zinc/86/21/60/607862160.db2.gz RPRKXCROQVFQCK-UHFFFAOYSA-N -1 3 369.450 3.021 20 0 FGADHM O[C@@H](Cn1ccc(-c2ccc(-c3nnn[n-]3)cc2)n1)c1cccc(Cl)c1 ZINC000826504662 607869032 /nfs/dbraw/zinc/86/90/32/607869032.db2.gz AUVOVTZAJORSBK-KRWDZBQOSA-N -1 3 366.812 3.117 20 0 FGADHM O[C@@H](Cn1ccc(-c2ccc(-c3nn[n-]n3)cc2)n1)c1cccc(Cl)c1 ZINC000826504662 607869033 /nfs/dbraw/zinc/86/90/33/607869033.db2.gz AUVOVTZAJORSBK-KRWDZBQOSA-N -1 3 366.812 3.117 20 0 FGADHM O[C@@H](COc1ccc(-c2nnn[n-]2)c(F)c1)c1ccccc1C(F)(F)F ZINC000826503690 607873515 /nfs/dbraw/zinc/87/35/15/607873515.db2.gz CWJGLLZPWSFMCV-AWEZNQCLSA-N -1 3 368.290 3.137 20 0 FGADHM O[C@@H](COc1ccc(-c2nn[n-]n2)c(F)c1)c1ccccc1C(F)(F)F ZINC000826503690 607873516 /nfs/dbraw/zinc/87/35/16/607873516.db2.gz CWJGLLZPWSFMCV-AWEZNQCLSA-N -1 3 368.290 3.137 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1OC[C@H](O)c1ccccc1C(F)(F)F ZINC000826255397 607875722 /nfs/dbraw/zinc/87/57/22/607875722.db2.gz XCRPBDSWUZKKAO-AWEZNQCLSA-N -1 3 364.327 3.306 20 0 FGADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000825958473 607881541 /nfs/dbraw/zinc/88/15/41/607881541.db2.gz XVVYFPSCIOVHNR-RYQLBKOJSA-N -1 3 353.470 3.432 20 0 FGADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000825958473 607881542 /nfs/dbraw/zinc/88/15/42/607881542.db2.gz XVVYFPSCIOVHNR-RYQLBKOJSA-N -1 3 353.470 3.432 20 0 FGADHM COc1ccc(CNC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)cc1-c1nnn[n-]1 ZINC000826195996 607908505 /nfs/dbraw/zinc/90/85/05/607908505.db2.gz NFLDWKIYFSAZRL-BZUAXINKSA-N -1 3 369.469 3.098 20 0 FGADHM COc1ccc(CNC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)cc1-c1nn[n-]n1 ZINC000826195996 607908506 /nfs/dbraw/zinc/90/85/06/607908506.db2.gz NFLDWKIYFSAZRL-BZUAXINKSA-N -1 3 369.469 3.098 20 0 FGADHM C[C@H](NC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C1CCC1 ZINC000824505688 607918564 /nfs/dbraw/zinc/91/85/64/607918564.db2.gz HFOQHAMJJRYKEC-QMMMGPOBSA-N -1 3 354.336 3.196 20 0 FGADHM C[C@H](NC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C1CCC1 ZINC000824505688 607918565 /nfs/dbraw/zinc/91/85/65/607918565.db2.gz HFOQHAMJJRYKEC-QMMMGPOBSA-N -1 3 354.336 3.196 20 0 FGADHM Cc1ccc([C@@H]2C[C@H](OC(=O)c3cc(-c4nnn[n-]4)cs3)CCO2)cc1 ZINC000826285291 607946257 /nfs/dbraw/zinc/94/62/57/607946257.db2.gz UZGUECFVDZATCI-CABCVRRESA-N -1 3 370.434 3.314 20 0 FGADHM Cc1ccc([C@@H]2C[C@H](OC(=O)c3cc(-c4nn[n-]n4)cs3)CCO2)cc1 ZINC000826285291 607946258 /nfs/dbraw/zinc/94/62/58/607946258.db2.gz UZGUECFVDZATCI-CABCVRRESA-N -1 3 370.434 3.314 20 0 FGADHM O=C([C@@H]1C[C@H]1c1cccc(Cl)c1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826398872 607946631 /nfs/dbraw/zinc/94/66/31/607946631.db2.gz HUJFDDAPOXQMNY-JKSUJKDBSA-N -1 3 365.824 3.213 20 0 FGADHM O=C([C@@H]1C[C@H]1c1cccc(Cl)c1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826398872 607946632 /nfs/dbraw/zinc/94/66/32/607946632.db2.gz HUJFDDAPOXQMNY-JKSUJKDBSA-N -1 3 365.824 3.213 20 0 FGADHM C[C@H](CCc1ccccc1F)C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000824412963 607947721 /nfs/dbraw/zinc/94/77/21/607947721.db2.gz HPPODZYMJQRFCN-CYBMUJFWSA-N -1 3 365.412 3.164 20 0 FGADHM C[C@H](CCc1ccccc1F)C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000824412963 607947722 /nfs/dbraw/zinc/94/77/22/607947722.db2.gz HPPODZYMJQRFCN-CYBMUJFWSA-N -1 3 365.412 3.164 20 0 FGADHM O=C([C@@H]1CC[C@H]2CCCC[C@H]2C1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826398750 607950138 /nfs/dbraw/zinc/95/01/38/607950138.db2.gz FBYXIWOAIVKUCW-UKPHBRMFSA-N -1 3 351.454 3.362 20 0 FGADHM O=C([C@@H]1CC[C@H]2CCCC[C@H]2C1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826398750 607950139 /nfs/dbraw/zinc/95/01/39/607950139.db2.gz FBYXIWOAIVKUCW-UKPHBRMFSA-N -1 3 351.454 3.362 20 0 FGADHM O=C([C@@H]1CCSc2ccccc21)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826399185 607954375 /nfs/dbraw/zinc/95/43/75/607954375.db2.gz OVAQNSUAEZWXOT-OAHLLOKOSA-N -1 3 363.446 3.035 20 0 FGADHM O=C([C@@H]1CCSc2ccccc21)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826399185 607954376 /nfs/dbraw/zinc/95/43/76/607954376.db2.gz OVAQNSUAEZWXOT-OAHLLOKOSA-N -1 3 363.446 3.035 20 0 FGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)C=Cc1ccnc(Cl)c1 ZINC000824147661 607962086 /nfs/dbraw/zinc/96/20/86/607962086.db2.gz FZPHIFSPRGJZAR-PLNGDYQASA-N -1 3 371.832 3.124 20 0 FGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)C=Cc1ccnc(Cl)c1 ZINC000824147661 607962087 /nfs/dbraw/zinc/96/20/87/607962087.db2.gz FZPHIFSPRGJZAR-PLNGDYQASA-N -1 3 371.832 3.124 20 0 FGADHM CCCn1c2ccc(-c3nnn[n-]3)cc2nc1-c1ccc(C(=O)OC)cc1 ZINC000825353298 607975014 /nfs/dbraw/zinc/97/50/14/607975014.db2.gz ULLUOJFFVBIVGR-UHFFFAOYSA-N -1 3 362.393 3.080 20 0 FGADHM CCCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1ccc(C(=O)OC)cc1 ZINC000825353298 607975015 /nfs/dbraw/zinc/97/50/15/607975015.db2.gz ULLUOJFFVBIVGR-UHFFFAOYSA-N -1 3 362.393 3.080 20 0 FGADHM Cc1ncsc1CNc1ccc(-c2nn[n-]n2)cc1Br ZINC000826331680 607990467 /nfs/dbraw/zinc/99/04/67/607990467.db2.gz UAQYZQFQWOJLIR-UHFFFAOYSA-N -1 3 351.233 3.006 20 0 FGADHM C[C@H](NC(=O)N1CCCC12CCCCC2)c1cccc(-c2nnn[n-]2)c1 ZINC000824487327 607993313 /nfs/dbraw/zinc/99/33/13/607993313.db2.gz AJGULRTZJQHARG-AWEZNQCLSA-N -1 3 354.458 3.436 20 0 FGADHM C[C@H](NC(=O)N1CCCC12CCCCC2)c1cccc(-c2nn[n-]n2)c1 ZINC000824487327 607993314 /nfs/dbraw/zinc/99/33/14/607993314.db2.gz AJGULRTZJQHARG-AWEZNQCLSA-N -1 3 354.458 3.436 20 0 FGADHM COc1ccc(C[C@H](C)C(=O)OCc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000826191683 607993647 /nfs/dbraw/zinc/99/36/47/607993647.db2.gz MWHRLZXYUCUSOS-AWEZNQCLSA-N -1 3 366.421 3.106 20 0 FGADHM COc1ccc(C[C@H](C)C(=O)OCc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000826191683 607993648 /nfs/dbraw/zinc/99/36/48/607993648.db2.gz MWHRLZXYUCUSOS-AWEZNQCLSA-N -1 3 366.421 3.106 20 0 FGADHM CC(=O)c1ccc(NC(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000824025084 608009832 /nfs/dbraw/zinc/00/98/32/608009832.db2.gz UVIXXDSSJOUWRR-UHFFFAOYSA-N -1 3 364.409 3.042 20 0 FGADHM CC(=O)c1ccc(NC(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000824025084 608009833 /nfs/dbraw/zinc/00/98/33/608009833.db2.gz UVIXXDSSJOUWRR-UHFFFAOYSA-N -1 3 364.409 3.042 20 0 FGADHM C[C@H](OC(=O)Cc1cccc2cccnc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000824712730 608011918 /nfs/dbraw/zinc/01/19/18/608011918.db2.gz CCBLCGPZBFNWKS-ZDUSSCGKSA-N -1 3 359.389 3.262 20 0 FGADHM C[C@H](OC(=O)Cc1cccc2cccnc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000824712730 608011919 /nfs/dbraw/zinc/01/19/19/608011919.db2.gz CCBLCGPZBFNWKS-ZDUSSCGKSA-N -1 3 359.389 3.262 20 0 FGADHM O=C1[C@@H](Sc2ccccc2-c2nnn[n-]2)CCCN1Cc1ccccc1 ZINC000826477423 608023966 /nfs/dbraw/zinc/02/39/66/608023966.db2.gz CPFZFJSHJPZUPF-KRWDZBQOSA-N -1 3 365.462 3.150 20 0 FGADHM O=C1[C@@H](Sc2ccccc2-c2nn[n-]n2)CCCN1Cc1ccccc1 ZINC000826477423 608023967 /nfs/dbraw/zinc/02/39/67/608023967.db2.gz CPFZFJSHJPZUPF-KRWDZBQOSA-N -1 3 365.462 3.150 20 0 FGADHM C[C@H](NC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1)c1ccc[nH]1 ZINC000824520637 608030310 /nfs/dbraw/zinc/03/03/10/608030310.db2.gz AQRKIHOFSAZGOH-ZDUSSCGKSA-N -1 3 358.405 3.353 20 0 FGADHM C[C@H](NC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1)c1ccc[nH]1 ZINC000824520637 608030311 /nfs/dbraw/zinc/03/03/11/608030311.db2.gz AQRKIHOFSAZGOH-ZDUSSCGKSA-N -1 3 358.405 3.353 20 0 FGADHM C[C@H](CNc1ccc(-c2nn[n-]n2)cc1Br)c1ccncc1 ZINC000824429866 608050685 /nfs/dbraw/zinc/05/06/85/608050685.db2.gz ZTMYGMDRBUMLLV-SNVBAGLBSA-N -1 3 359.231 3.240 20 0 FGADHM Brc1cc(-c2nn[n-]n2)ccc1N[C@H]1CCOC2(CCC2)C1 ZINC000823826651 608051020 /nfs/dbraw/zinc/05/10/20/608051020.db2.gz MCWBNGBHLBAEKH-NSHDSACASA-N -1 3 364.247 3.143 20 0 FGADHM C[C@@H](NC(=O)CCCc1cc(F)ccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000824477609 608052886 /nfs/dbraw/zinc/05/28/86/608052886.db2.gz AUHGCTWFLQMDFG-GFCCVEGCSA-N -1 3 371.391 3.345 20 0 FGADHM C[C@@H](NC(=O)CCCc1cc(F)ccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000824477609 608052887 /nfs/dbraw/zinc/05/28/87/608052887.db2.gz AUHGCTWFLQMDFG-GFCCVEGCSA-N -1 3 371.391 3.345 20 0 FGADHM Cc1sc(NC(=O)C2=Cc3cc(F)ccc3OC2)c(-c2nnn[n-]2)c1C ZINC000826349305 608059346 /nfs/dbraw/zinc/05/93/46/608059346.db2.gz CZOQTTFIBFLSAD-UHFFFAOYSA-N -1 3 371.397 3.099 20 0 FGADHM Cc1sc(NC(=O)C2=Cc3cc(F)ccc3OC2)c(-c2nn[n-]n2)c1C ZINC000826349305 608059347 /nfs/dbraw/zinc/05/93/47/608059347.db2.gz CZOQTTFIBFLSAD-UHFFFAOYSA-N -1 3 371.397 3.099 20 0 FGADHM O[C@@H](CNc1c(Cl)cccc1-c1nnn[n-]1)c1ccc(Cl)c(F)c1 ZINC000826503379 608099747 /nfs/dbraw/zinc/09/97/47/608099747.db2.gz WDPHSXDIEWOHPF-ZDUSSCGKSA-N -1 3 368.199 3.458 20 0 FGADHM O[C@@H](CNc1c(Cl)cccc1-c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000826503379 608099748 /nfs/dbraw/zinc/09/97/48/608099748.db2.gz WDPHSXDIEWOHPF-ZDUSSCGKSA-N -1 3 368.199 3.458 20 0 FGADHM CC[C@@H](C)n1ncc(NC(=O)c2ccc(-c3nnn[n-]3)cc2C)c1C1CC1 ZINC000825081689 608102548 /nfs/dbraw/zinc/10/25/48/608102548.db2.gz MDHSEAKYSUAOJD-GFCCVEGCSA-N -1 3 365.441 3.472 20 0 FGADHM CC[C@@H](C)n1ncc(NC(=O)c2ccc(-c3nn[n-]n3)cc2C)c1C1CC1 ZINC000825081689 608102549 /nfs/dbraw/zinc/10/25/49/608102549.db2.gz MDHSEAKYSUAOJD-GFCCVEGCSA-N -1 3 365.441 3.472 20 0 FGADHM C[C@H]1CCc2ccccc2[C@H]1NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000824968516 608102611 /nfs/dbraw/zinc/10/26/11/608102611.db2.gz QEXAMSDOBHQFKV-BTDLBPIBSA-N -1 3 369.375 3.198 20 0 FGADHM C[C@H]1CCc2ccccc2[C@H]1NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000824968516 608102612 /nfs/dbraw/zinc/10/26/12/608102612.db2.gz QEXAMSDOBHQFKV-BTDLBPIBSA-N -1 3 369.375 3.198 20 0 FGADHM O=C1[C@@H](Sc2ccccc2-c2nnn[n-]2)CCCN1c1ccccc1F ZINC000826478356 608111301 /nfs/dbraw/zinc/11/13/01/608111301.db2.gz ZYBQXGSCAIQYFM-INIZCTEOSA-N -1 3 369.425 3.294 20 0 FGADHM O=C1[C@@H](Sc2ccccc2-c2nn[n-]n2)CCCN1c1ccccc1F ZINC000826478356 608111302 /nfs/dbraw/zinc/11/13/02/608111302.db2.gz ZYBQXGSCAIQYFM-INIZCTEOSA-N -1 3 369.425 3.294 20 0 FGADHM Cc1cc(C)cc([C@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)cs3)C2)c1 ZINC000826264544 608130621 /nfs/dbraw/zinc/13/06/21/608130621.db2.gz RRSHPJJJEOSCMA-ZDUSSCGKSA-N -1 3 353.451 3.175 20 0 FGADHM Cc1cc(C)cc([C@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)cs3)C2)c1 ZINC000826264544 608130622 /nfs/dbraw/zinc/13/06/22/608130622.db2.gz RRSHPJJJEOSCMA-ZDUSSCGKSA-N -1 3 353.451 3.175 20 0 FGADHM COCCOc1ccc(-c2nnn[n-]2)cc1NC[C@@H]1C[C@H]1c1ccccc1 ZINC000826162204 608135664 /nfs/dbraw/zinc/13/56/64/608135664.db2.gz RWUIBABSNGOBBC-IRXDYDNUSA-N -1 3 365.437 3.108 20 0 FGADHM COCCOc1ccc(-c2nn[n-]n2)cc1NC[C@@H]1C[C@H]1c1ccccc1 ZINC000826162204 608135665 /nfs/dbraw/zinc/13/56/65/608135665.db2.gz RWUIBABSNGOBBC-IRXDYDNUSA-N -1 3 365.437 3.108 20 0 FGADHM C[C@@H](NCc1nc2c(s1)CCCC2)c1ccc(-c2nnn[n-]2)cc1F ZINC000824635167 608136247 /nfs/dbraw/zinc/13/62/47/608136247.db2.gz ZEEMWMSGKXDOGI-SNVBAGLBSA-N -1 3 358.446 3.192 20 0 FGADHM C[C@@H](NCc1nc2c(s1)CCCC2)c1ccc(-c2nn[n-]n2)cc1F ZINC000824635167 608136248 /nfs/dbraw/zinc/13/62/48/608136248.db2.gz ZEEMWMSGKXDOGI-SNVBAGLBSA-N -1 3 358.446 3.192 20 0 FGADHM CC(C)(C)[C@@H]1C[C@H](Nc2cc(-c3nnn[n-]3)c3ccccc3n2)CCO1 ZINC000824079268 608149655 /nfs/dbraw/zinc/14/96/55/608149655.db2.gz NYMVRIAGSIAEOD-WBMJQRKESA-N -1 3 352.442 3.421 20 0 FGADHM CC(C)(C)[C@@H]1C[C@H](Nc2cc(-c3nn[n-]n3)c3ccccc3n2)CCO1 ZINC000824079268 608149657 /nfs/dbraw/zinc/14/96/57/608149657.db2.gz NYMVRIAGSIAEOD-WBMJQRKESA-N -1 3 352.442 3.421 20 0 FGADHM CN(C(=O)c1cc(F)c(Cl)cc1F)c1ccc(-c2nnn[n-]2)cc1F ZINC000825825462 608156219 /nfs/dbraw/zinc/15/62/19/608156219.db2.gz COHFSVBRHOZMGI-UHFFFAOYSA-N -1 3 367.718 3.214 20 0 FGADHM CN(C(=O)c1cc(F)c(Cl)cc1F)c1ccc(-c2nn[n-]n2)cc1F ZINC000825825462 608156221 /nfs/dbraw/zinc/15/62/21/608156221.db2.gz COHFSVBRHOZMGI-UHFFFAOYSA-N -1 3 367.718 3.214 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CCCC(F)(F)F ZINC000825333069 608161900 /nfs/dbraw/zinc/16/19/00/608161900.db2.gz QCTIGPQHULJMBV-UHFFFAOYSA-N -1 3 356.352 3.360 20 0 FGADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)C=C1CCCCC1 ZINC000825788608 608175682 /nfs/dbraw/zinc/17/56/82/608175682.db2.gz SHPDPMASRJLAIV-UHFFFAOYSA-N -1 3 351.414 3.065 20 0 FGADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)C=C1CCCCC1 ZINC000825788608 608175683 /nfs/dbraw/zinc/17/56/83/608175683.db2.gz SHPDPMASRJLAIV-UHFFFAOYSA-N -1 3 351.414 3.065 20 0 FGADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)CCCC(C)(C)C ZINC000825788286 608178430 /nfs/dbraw/zinc/17/84/30/608178430.db2.gz OFEWPKMJOJOHNP-UHFFFAOYSA-N -1 3 355.446 3.391 20 0 FGADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)CCCC(C)(C)C ZINC000825788286 608178432 /nfs/dbraw/zinc/17/84/32/608178432.db2.gz OFEWPKMJOJOHNP-UHFFFAOYSA-N -1 3 355.446 3.391 20 0 FGADHM COc1ccccc1C(C)(C)C(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826218780 608186296 /nfs/dbraw/zinc/18/62/96/608186296.db2.gz KTWNBRWVCKTGFD-ZDUSSCGKSA-N -1 3 366.421 3.457 20 0 FGADHM COc1ccccc1C(C)(C)C(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826218780 608186298 /nfs/dbraw/zinc/18/62/98/608186298.db2.gz KTWNBRWVCKTGFD-ZDUSSCGKSA-N -1 3 366.421 3.457 20 0 FGADHM C[C@@H](OC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)c1ccco1 ZINC000826232035 608188613 /nfs/dbraw/zinc/18/86/13/608188613.db2.gz GCXVBOBODISJEG-CYBMUJFWSA-N -1 3 356.382 3.313 20 0 FGADHM C[C@@H](OC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)c1ccco1 ZINC000826232035 608188615 /nfs/dbraw/zinc/18/86/15/608188615.db2.gz GCXVBOBODISJEG-CYBMUJFWSA-N -1 3 356.382 3.313 20 0 FGADHM CC(C)(C)OC(=O)N1CCC(Sc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000824104232 608197769 /nfs/dbraw/zinc/19/77/69/608197769.db2.gz PKVRWDUYJPOGGD-UHFFFAOYSA-N -1 3 361.471 3.358 20 0 FGADHM CC(C)(C)OC(=O)N1CCC(Sc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000824104232 608197771 /nfs/dbraw/zinc/19/77/71/608197771.db2.gz PKVRWDUYJPOGGD-UHFFFAOYSA-N -1 3 361.471 3.358 20 0 FGADHM COC(=O)C(=Cc1ccc(-c2nnn[n-]2)cc1)c1nc(C(C)(C)C)cs1 ZINC000826098429 608198528 /nfs/dbraw/zinc/19/85/28/608198528.db2.gz DXDWKNKPJWNQFU-LCYFTJDESA-N -1 3 369.450 3.334 20 0 FGADHM COC(=O)C(=Cc1ccc(-c2nn[n-]n2)cc1)c1nc(C(C)(C)C)cs1 ZINC000826098429 608198529 /nfs/dbraw/zinc/19/85/29/608198529.db2.gz DXDWKNKPJWNQFU-LCYFTJDESA-N -1 3 369.450 3.334 20 0 FGADHM COc1nc(C)cc(C)c1CNc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000826221431 608226567 /nfs/dbraw/zinc/22/65/67/608226567.db2.gz FLKRXSZEDRQHQK-UHFFFAOYSA-N -1 3 361.409 3.047 20 0 FGADHM COc1nc(C)cc(C)c1CNc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000826221431 608226569 /nfs/dbraw/zinc/22/65/69/608226569.db2.gz FLKRXSZEDRQHQK-UHFFFAOYSA-N -1 3 361.409 3.047 20 0 FGADHM C[C@]1(c2ccccc2)CN(c2ccc3cc(-c4nnn[n-]4)ccc3n2)CCO1 ZINC000824844094 608233377 /nfs/dbraw/zinc/23/33/77/608233377.db2.gz PEYHGNJWAMBCAH-OAQYLSRUSA-N -1 3 372.432 3.167 20 0 FGADHM C[C@]1(c2ccccc2)CN(c2ccc3cc(-c4nn[n-]n4)ccc3n2)CCO1 ZINC000824844094 608233379 /nfs/dbraw/zinc/23/33/79/608233379.db2.gz PEYHGNJWAMBCAH-OAQYLSRUSA-N -1 3 372.432 3.167 20 0 FGADHM CC(C)(C)c1nnc(CNc2ccc3cc(-c4nnn[n-]4)ccc3n2)s1 ZINC000824141744 608233479 /nfs/dbraw/zinc/23/34/79/608233479.db2.gz MWXIXFRWKHZZDF-UHFFFAOYSA-N -1 3 366.454 3.176 20 0 FGADHM CC(C)(C)c1nnc(CNc2ccc3cc(-c4nn[n-]n4)ccc3n2)s1 ZINC000824141744 608233480 /nfs/dbraw/zinc/23/34/80/608233480.db2.gz MWXIXFRWKHZZDF-UHFFFAOYSA-N -1 3 366.454 3.176 20 0 FGADHM Clc1cc(-c2nnn[n-]2)cnc1N[C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000826351012 608238687 /nfs/dbraw/zinc/23/86/87/608238687.db2.gz UEVNZSPTFMKQEN-DOMZBBRYSA-N -1 3 356.817 3.105 20 0 FGADHM Clc1cc(-c2nn[n-]n2)cnc1N[C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000826351012 608238688 /nfs/dbraw/zinc/23/86/88/608238688.db2.gz UEVNZSPTFMKQEN-DOMZBBRYSA-N -1 3 356.817 3.105 20 0 FGADHM COc1ccc([C@@H](OC)[C@H](C)Nc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000826189782 608239129 /nfs/dbraw/zinc/23/91/29/608239129.db2.gz DXFRMXSYEZWDEL-GTNSWQLSSA-N -1 3 357.389 3.203 20 0 FGADHM COc1ccc([C@@H](OC)[C@H](C)Nc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000826189782 608239130 /nfs/dbraw/zinc/23/91/30/608239130.db2.gz DXFRMXSYEZWDEL-GTNSWQLSSA-N -1 3 357.389 3.203 20 0 FGADHM COc1ccc([C@@H](OC)[C@@H](C)Nc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000826189983 608239974 /nfs/dbraw/zinc/23/99/74/608239974.db2.gz LQTWRXWHRSHNLQ-DIFFPNOSSA-N -1 3 357.389 3.203 20 0 FGADHM Cc1cccc([C@H](NCc2ccc(-c3nn[n-]n3)cc2)c2ccccn2)c1 ZINC000826297055 608242034 /nfs/dbraw/zinc/24/20/34/608242034.db2.gz TYMUGDOSOIDSDR-FQEVSTJZSA-N -1 3 356.433 3.449 20 0 FGADHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(N[C@H]3CCO[C@@H](C(C)C)C3)c2c1 ZINC000826263950 608243649 /nfs/dbraw/zinc/24/36/49/608243649.db2.gz XDJODAGEBNYADN-WMLDXEAASA-N -1 3 366.469 3.069 20 0 FGADHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(N[C@H]3CCO[C@@H](C(C)C)C3)c2c1 ZINC000826263950 608243651 /nfs/dbraw/zinc/24/36/51/608243651.db2.gz XDJODAGEBNYADN-WMLDXEAASA-N -1 3 366.469 3.069 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)C=Cc1ccc2[nH]ccc2c1 ZINC000826253403 608249206 /nfs/dbraw/zinc/24/92/06/608249206.db2.gz OLSSBQITSNMIJJ-XVNBXDOJSA-N -1 3 359.389 3.413 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)C=Cc1ccc2[nH]ccc2c1 ZINC000826253403 608249207 /nfs/dbraw/zinc/24/92/07/608249207.db2.gz OLSSBQITSNMIJJ-XVNBXDOJSA-N -1 3 359.389 3.413 20 0 FGADHM O=C(Nc1sccc1-c1nnn[n-]1)c1ccnc(OC2CCCCC2)c1 ZINC000826461318 608259805 /nfs/dbraw/zinc/25/98/05/608259805.db2.gz PLGSGQWXOTWGQR-UHFFFAOYSA-N -1 3 370.438 3.287 20 0 FGADHM O=C(Nc1sccc1-c1nn[n-]n1)c1ccnc(OC2CCCCC2)c1 ZINC000826461318 608259807 /nfs/dbraw/zinc/25/98/07/608259807.db2.gz PLGSGQWXOTWGQR-UHFFFAOYSA-N -1 3 370.438 3.287 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1COc1ccc(Cl)cc1C(C)=O ZINC000826173266 608260805 /nfs/dbraw/zinc/26/08/05/608260805.db2.gz VONBWBAPDNSXOJ-UHFFFAOYSA-N -1 3 358.785 3.310 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1COc1ccc(Cl)cc1C(C)=O ZINC000826173266 608260807 /nfs/dbraw/zinc/26/08/07/608260807.db2.gz VONBWBAPDNSXOJ-UHFFFAOYSA-N -1 3 358.785 3.310 20 0 FGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CC[C@H](C)[C@@H](C)C1 ZINC000824319164 608268470 /nfs/dbraw/zinc/26/84/70/608268470.db2.gz HXOVBTBIAOXLQW-STQMWFEESA-N -1 3 358.446 3.164 20 0 FGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CC[C@H](C)[C@@H](C)C1 ZINC000824319164 608268471 /nfs/dbraw/zinc/26/84/71/608268471.db2.gz HXOVBTBIAOXLQW-STQMWFEESA-N -1 3 358.446 3.164 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)c(NCc2ccc(OC(F)(F)F)cc2)n1 ZINC000826276627 608271502 /nfs/dbraw/zinc/27/15/02/608271502.db2.gz OSSMBXRHUGCSLA-UHFFFAOYSA-N -1 3 350.304 3.081 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)c(NCc2ccc(OC(F)(F)F)cc2)n1 ZINC000826276627 608271503 /nfs/dbraw/zinc/27/15/03/608271503.db2.gz OSSMBXRHUGCSLA-UHFFFAOYSA-N -1 3 350.304 3.081 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)c(NCc2ccc(F)cc2Br)n1 ZINC000826276633 608277093 /nfs/dbraw/zinc/27/70/93/608277093.db2.gz OZJGZYDISHCWIM-UHFFFAOYSA-N -1 3 363.194 3.084 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)c(NCc2ccc(F)cc2Br)n1 ZINC000826276633 608277094 /nfs/dbraw/zinc/27/70/94/608277094.db2.gz OZJGZYDISHCWIM-UHFFFAOYSA-N -1 3 363.194 3.084 20 0 FGADHM Fc1ccc2c(c1)CC[C@@H]2Nc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC000826375840 608277872 /nfs/dbraw/zinc/27/78/72/608277872.db2.gz DNUTXDNGWOBNCS-KRWDZBQOSA-N -1 3 350.401 3.379 20 0 FGADHM Fc1ccc2c(c1)CC[C@@H]2Nc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC000826375840 608277874 /nfs/dbraw/zinc/27/78/74/608277874.db2.gz DNUTXDNGWOBNCS-KRWDZBQOSA-N -1 3 350.401 3.379 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)c(NCc2ccc(Br)cc2C)n1 ZINC000826276557 608287298 /nfs/dbraw/zinc/28/72/98/608287298.db2.gz LAJXWWZEIUMEBJ-UHFFFAOYSA-N -1 3 359.231 3.253 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)c(NCc2ccc(Br)cc2C)n1 ZINC000826276557 608287299 /nfs/dbraw/zinc/28/72/99/608287299.db2.gz LAJXWWZEIUMEBJ-UHFFFAOYSA-N -1 3 359.231 3.253 20 0 FGADHM c1ccc2c(c1)SC[C@@H]2Nc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC000826524130 608289315 /nfs/dbraw/zinc/28/93/15/608289315.db2.gz KQUYGZKSTKGEEW-HNNXBMFYSA-N -1 3 350.451 3.399 20 0 FGADHM c1ccc2c(c1)SC[C@@H]2Nc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC000826524130 608289317 /nfs/dbraw/zinc/28/93/17/608289317.db2.gz KQUYGZKSTKGEEW-HNNXBMFYSA-N -1 3 350.451 3.399 20 0 FGADHM C[C@@H](C[C@@H](O)c1cccs1)Nc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC000824393281 608299666 /nfs/dbraw/zinc/29/96/66/608299666.db2.gz RHHCGNCEKHFYEY-XHDPSFHLSA-N -1 3 370.482 3.126 20 0 FGADHM C[C@@H](C[C@@H](O)c1cccs1)Nc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC000824393281 608299668 /nfs/dbraw/zinc/29/96/68/608299668.db2.gz RHHCGNCEKHFYEY-XHDPSFHLSA-N -1 3 370.482 3.126 20 0 FGADHM CC[C@H](SC)C(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000825159011 608304780 /nfs/dbraw/zinc/30/47/80/608304780.db2.gz HCGTVSTYBYTTSZ-KRWDZBQOSA-N -1 3 367.478 3.292 20 0 FGADHM CC[C@H](SC)C(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000825159011 608304782 /nfs/dbraw/zinc/30/47/82/608304782.db2.gz HCGTVSTYBYTTSZ-KRWDZBQOSA-N -1 3 367.478 3.292 20 0 FGADHM CN(C(=O)c1cccc([C@@H]2CCCOC2)c1)c1ccccc1-c1nnn[n-]1 ZINC000825829364 608308934 /nfs/dbraw/zinc/30/89/34/608308934.db2.gz CTQIWEDMZFUSSM-MRXNPFEDSA-N -1 3 363.421 3.037 20 0 FGADHM CN(C(=O)c1cccc([C@@H]2CCCOC2)c1)c1ccccc1-c1nn[n-]n1 ZINC000825829364 608308936 /nfs/dbraw/zinc/30/89/36/608308936.db2.gz CTQIWEDMZFUSSM-MRXNPFEDSA-N -1 3 363.421 3.037 20 0 FGADHM CCn1ccnc1CNCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000825804871 608310689 /nfs/dbraw/zinc/31/06/89/608310689.db2.gz ICOODDQOIQLDOV-UHFFFAOYSA-N -1 3 359.437 3.040 20 0 FGADHM CC1(C)Cc2ccc(Cl)cc2[C@@H]1OC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000824811729 608316450 /nfs/dbraw/zinc/31/64/50/608316450.db2.gz AOXYVSDDAOINER-HNNXBMFYSA-N -1 3 369.812 3.396 20 0 FGADHM CC1(C)Cc2ccc(Cl)cc2[C@@H]1OC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000824811729 608316451 /nfs/dbraw/zinc/31/64/51/608316451.db2.gz AOXYVSDDAOINER-HNNXBMFYSA-N -1 3 369.812 3.396 20 0 FGADHM C[C@H](CO)CNc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000824440855 608320246 /nfs/dbraw/zinc/32/02/46/608320246.db2.gz JYIUOGSEIISEQC-LBPRGKRZSA-N -1 3 373.844 3.139 20 0 FGADHM C[C@H](CO)CNc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000824440855 608320250 /nfs/dbraw/zinc/32/02/50/608320250.db2.gz JYIUOGSEIISEQC-LBPRGKRZSA-N -1 3 373.844 3.139 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1CNc1ccc(F)cc1OC(F)F ZINC000826170817 608320907 /nfs/dbraw/zinc/32/09/07/608320907.db2.gz QIIVALJZYDLMGM-UHFFFAOYSA-N -1 3 365.315 3.228 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1CNc1ccc(F)cc1OC(F)F ZINC000826170817 608320909 /nfs/dbraw/zinc/32/09/09/608320909.db2.gz QIIVALJZYDLMGM-UHFFFAOYSA-N -1 3 365.315 3.228 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1CSCc1noc2c1CCCC2 ZINC000826173459 608322721 /nfs/dbraw/zinc/32/27/21/608322721.db2.gz FJNWTVGBZVCQKE-UHFFFAOYSA-N -1 3 357.439 3.176 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1CSCc1noc2c1CCCC2 ZINC000826173459 608322723 /nfs/dbraw/zinc/32/27/23/608322723.db2.gz FJNWTVGBZVCQKE-UHFFFAOYSA-N -1 3 357.439 3.176 20 0 FGADHM Cc1ncccc1C(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000826330327 608327929 /nfs/dbraw/zinc/32/79/29/608327929.db2.gz OXTRGKJSNHIMLL-UHFFFAOYSA-N -1 3 370.416 3.167 20 0 FGADHM Cc1ncccc1C(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000826330327 608327931 /nfs/dbraw/zinc/32/79/31/608327931.db2.gz OXTRGKJSNHIMLL-UHFFFAOYSA-N -1 3 370.416 3.167 20 0 FGADHM CCN(C(=O)CCOc1ccccc1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825371798 608343792 /nfs/dbraw/zinc/34/37/92/608343792.db2.gz MBVDEQGHJJAADA-UHFFFAOYSA-N -1 3 371.828 3.342 20 0 FGADHM CCN(C(=O)CCOc1ccccc1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825371798 608343794 /nfs/dbraw/zinc/34/37/94/608343794.db2.gz MBVDEQGHJJAADA-UHFFFAOYSA-N -1 3 371.828 3.342 20 0 FGADHM CCN(C(=O)CCc1ccc(C)o1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825372236 608344675 /nfs/dbraw/zinc/34/46/75/608344675.db2.gz TYKDYASUOLVJOT-UHFFFAOYSA-N -1 3 359.817 3.407 20 0 FGADHM CCN(C(=O)CCc1ccc(C)o1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825372236 608344676 /nfs/dbraw/zinc/34/46/76/608344676.db2.gz TYKDYASUOLVJOT-UHFFFAOYSA-N -1 3 359.817 3.407 20 0 FGADHM O=C(NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)N1C2CCC1CC2 ZINC000826441050 608357546 /nfs/dbraw/zinc/35/75/46/608357546.db2.gz LQVXRKNOEXKITL-UHFFFAOYSA-N -1 3 374.448 3.370 20 0 FGADHM O=C(NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)N1C2CCC1CC2 ZINC000826441050 608357548 /nfs/dbraw/zinc/35/75/48/608357548.db2.gz LQVXRKNOEXKITL-UHFFFAOYSA-N -1 3 374.448 3.370 20 0 FGADHM CC(C)CN(C)C(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000824255170 608357794 /nfs/dbraw/zinc/35/77/94/608357794.db2.gz BFVDPJFGBBIGMF-UHFFFAOYSA-N -1 3 364.453 3.331 20 0 FGADHM CC(C)CN(C)C(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000824255170 608357796 /nfs/dbraw/zinc/35/77/96/608357796.db2.gz BFVDPJFGBBIGMF-UHFFFAOYSA-N -1 3 364.453 3.331 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1CN1CCc2c(Cl)cccc2C1 ZINC000826170340 608365439 /nfs/dbraw/zinc/36/54/39/608365439.db2.gz XAXFVCFGFWDLRA-UHFFFAOYSA-N -1 3 355.829 3.087 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1CN1CCc2c(Cl)cccc2C1 ZINC000826170340 608365441 /nfs/dbraw/zinc/36/54/41/608365441.db2.gz XAXFVCFGFWDLRA-UHFFFAOYSA-N -1 3 355.829 3.087 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1CN[C@@H](c1ccccc1)c1ccccn1 ZINC000826169760 608370956 /nfs/dbraw/zinc/37/09/56/608370956.db2.gz CWUUVJXBMXBHKT-FQEVSTJZSA-N -1 3 372.432 3.150 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1CN[C@@H](c1ccccc1)c1ccccn1 ZINC000826169760 608370958 /nfs/dbraw/zinc/37/09/58/608370958.db2.gz CWUUVJXBMXBHKT-FQEVSTJZSA-N -1 3 372.432 3.150 20 0 FGADHM CC(C)n1cnnc1[C@@H]1CCCN(c2ccc(Cl)cc2-c2nnn[n-]2)C1 ZINC000824378153 608378661 /nfs/dbraw/zinc/37/86/61/608378661.db2.gz ZZCKAOXHIOMOIU-GFCCVEGCSA-N -1 3 372.864 3.077 20 0 FGADHM CC(C)n1cnnc1[C@@H]1CCCN(c2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC000824378153 608378663 /nfs/dbraw/zinc/37/86/63/608378663.db2.gz ZZCKAOXHIOMOIU-GFCCVEGCSA-N -1 3 372.864 3.077 20 0 FGADHM Oc1cccc2c1CC[C@@H]2Nc1ccc(-c2nn[n-]n2)cc1Br ZINC000826511109 608381207 /nfs/dbraw/zinc/38/12/07/608381207.db2.gz CGCVBQVCOIEVAP-ZDUSSCGKSA-N -1 3 372.226 3.434 20 0 FGADHM COc1cccc(OCCSCc2cccc(-c3nnn[n-]3)c2F)c1 ZINC000826217454 608404335 /nfs/dbraw/zinc/40/43/35/608404335.db2.gz MVXLZYZPDKSAHC-UHFFFAOYSA-N -1 3 360.414 3.327 20 0 FGADHM COc1cccc(OCCSCc2cccc(-c3nn[n-]n3)c2F)c1 ZINC000826217454 608404336 /nfs/dbraw/zinc/40/43/36/608404336.db2.gz MVXLZYZPDKSAHC-UHFFFAOYSA-N -1 3 360.414 3.327 20 0 FGADHM O=C(OCc1ccccc1-c1nnn[n-]1)c1ccc(Br)s1 ZINC000826467292 608423955 /nfs/dbraw/zinc/42/39/55/608423955.db2.gz PJJPIJQENSUCGG-UHFFFAOYSA-N -1 3 365.212 3.048 20 0 FGADHM O=C(OCc1ccccc1-c1nn[n-]n1)c1ccc(Br)s1 ZINC000826467292 608423957 /nfs/dbraw/zinc/42/39/57/608423957.db2.gz PJJPIJQENSUCGG-UHFFFAOYSA-N -1 3 365.212 3.048 20 0 FGADHM Cc1ccccc1[C@@H](C)NCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000826305550 608423963 /nfs/dbraw/zinc/42/39/63/608423963.db2.gz AUZVXBUEPRDSLQ-CYBMUJFWSA-N -1 3 361.409 3.076 20 0 FGADHM Cc1ccccc1[C@@H](C)NCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000826305550 608423965 /nfs/dbraw/zinc/42/39/65/608423965.db2.gz AUZVXBUEPRDSLQ-CYBMUJFWSA-N -1 3 361.409 3.076 20 0 FGADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H](C)c1ccccc1Cl ZINC000824739488 608433300 /nfs/dbraw/zinc/43/33/00/608433300.db2.gz XVRRKGKLWYKRQV-RYUDHWBXSA-N -1 3 371.828 3.165 20 0 FGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)c1nc(Cl)ccc1Cl ZINC000826466498 608435822 /nfs/dbraw/zinc/43/58/22/608435822.db2.gz GIQFTXNVDWVRPL-UHFFFAOYSA-N -1 3 368.155 3.065 20 0 FGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)c1nc(Cl)ccc1Cl ZINC000826466498 608435824 /nfs/dbraw/zinc/43/58/24/608435824.db2.gz GIQFTXNVDWVRPL-UHFFFAOYSA-N -1 3 368.155 3.065 20 0 FGADHM Cc1cccc(C)c1OCCC(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826296766 608441884 /nfs/dbraw/zinc/44/18/84/608441884.db2.gz IKPKRFVZLSSGHJ-UHFFFAOYSA-N -1 3 370.384 3.135 20 0 FGADHM Cc1cccc(C)c1OCCC(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826296766 608441885 /nfs/dbraw/zinc/44/18/85/608441885.db2.gz IKPKRFVZLSSGHJ-UHFFFAOYSA-N -1 3 370.384 3.135 20 0 FGADHM CC(=CC(=O)OCc1cccc(-c2nnn[n-]2)c1F)c1ccc(F)cc1 ZINC000823942747 608444049 /nfs/dbraw/zinc/44/40/49/608444049.db2.gz IOWWPPKOSZTPDE-PKNBQFBNSA-N -1 3 356.332 3.292 20 0 FGADHM CC(=CC(=O)OCc1cccc(-c2nn[n-]n2)c1F)c1ccc(F)cc1 ZINC000823942747 608444050 /nfs/dbraw/zinc/44/40/50/608444050.db2.gz IOWWPPKOSZTPDE-PKNBQFBNSA-N -1 3 356.332 3.292 20 0 FGADHM O=C(CCCOc1cccc(F)c1)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826406429 608445092 /nfs/dbraw/zinc/44/50/92/608445092.db2.gz WVYPECKLZYSYSQ-UHFFFAOYSA-N -1 3 374.347 3.047 20 0 FGADHM O=C(CCCOc1cccc(F)c1)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826406429 608445094 /nfs/dbraw/zinc/44/50/94/608445094.db2.gz WVYPECKLZYSYSQ-UHFFFAOYSA-N -1 3 374.347 3.047 20 0 FGADHM Cc1ccccc1C(C)(C)C(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826306206 608445137 /nfs/dbraw/zinc/44/51/37/608445137.db2.gz SPIISRUTDVNIRA-UHFFFAOYSA-N -1 3 354.385 3.335 20 0 FGADHM Cc1ccccc1C(C)(C)C(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826306206 608445138 /nfs/dbraw/zinc/44/51/38/608445138.db2.gz SPIISRUTDVNIRA-UHFFFAOYSA-N -1 3 354.385 3.335 20 0 FGADHM CCCOc1cccc(CC(=O)OCc2cccc(-c3nnn[n-]3)c2F)c1 ZINC000825342870 608453057 /nfs/dbraw/zinc/45/30/57/608453057.db2.gz XKDMQVLNRQUDEK-UHFFFAOYSA-N -1 3 370.384 3.081 20 0 FGADHM CCCOc1cccc(CC(=O)OCc2cccc(-c3nn[n-]n3)c2F)c1 ZINC000825342870 608453058 /nfs/dbraw/zinc/45/30/58/608453058.db2.gz XKDMQVLNRQUDEK-UHFFFAOYSA-N -1 3 370.384 3.081 20 0 FGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)[C@H]1CCCc2sccc21 ZINC000826466129 608454366 /nfs/dbraw/zinc/45/43/66/608454366.db2.gz PQPXBJZQVVCSEI-LBPRGKRZSA-N -1 3 358.398 3.231 20 0 FGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)[C@H]1CCCc2sccc21 ZINC000826466129 608454367 /nfs/dbraw/zinc/45/43/67/608454367.db2.gz PQPXBJZQVVCSEI-LBPRGKRZSA-N -1 3 358.398 3.231 20 0 FGADHM CCc1ccnc(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)CC(C)C)c1 ZINC000825728621 608459793 /nfs/dbraw/zinc/45/97/93/608459793.db2.gz SMPLXENXGGVDRZ-UHFFFAOYSA-N -1 3 364.453 3.123 20 0 FGADHM CCc1ccnc(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)CC(C)C)c1 ZINC000825728621 608459795 /nfs/dbraw/zinc/45/97/95/608459795.db2.gz SMPLXENXGGVDRZ-UHFFFAOYSA-N -1 3 364.453 3.123 20 0 FGADHM Cc1ccc2nc(CN3CC=C(c4ccc(-c5nn[n-]n5)cc4)CC3)cn2c1 ZINC000826295703 608460180 /nfs/dbraw/zinc/46/01/80/608460180.db2.gz ULRXMWVHKSZQGM-UHFFFAOYSA-N -1 3 371.448 3.112 20 0 FGADHM CCO[C@@H](C)c1nc(CN[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000825577215 608465543 /nfs/dbraw/zinc/46/55/43/608465543.db2.gz UFVIHEQPPRYLMS-NEPJUHHUSA-N -1 3 358.471 3.272 20 0 FGADHM CCO[C@@H](C)c1nc(CN[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000825577215 608465546 /nfs/dbraw/zinc/46/55/46/608465546.db2.gz UFVIHEQPPRYLMS-NEPJUHHUSA-N -1 3 358.471 3.272 20 0 FGADHM O=C(c1ccc2[nH]ccc2c1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826473794 608478214 /nfs/dbraw/zinc/47/82/14/608478214.db2.gz OJCRSVCPHAYEBG-UHFFFAOYSA-N -1 3 370.416 3.278 20 0 FGADHM O=C(c1ccc2[nH]ccc2c1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826473794 608478216 /nfs/dbraw/zinc/47/82/16/608478216.db2.gz OJCRSVCPHAYEBG-UHFFFAOYSA-N -1 3 370.416 3.278 20 0 FGADHM O=C(c1ccc(Cl)o1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826473334 608480745 /nfs/dbraw/zinc/48/07/45/608480745.db2.gz TVGHALGZZIYARQ-UHFFFAOYSA-N -1 3 355.785 3.043 20 0 FGADHM O=C(c1ccc(Cl)o1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826473334 608480746 /nfs/dbraw/zinc/48/07/46/608480746.db2.gz TVGHALGZZIYARQ-UHFFFAOYSA-N -1 3 355.785 3.043 20 0 FGADHM Cc1ccc(C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)s1 ZINC000826282064 608482126 /nfs/dbraw/zinc/48/21/26/608482126.db2.gz WRUSQTKBTSALSS-UHFFFAOYSA-N -1 3 351.435 3.166 20 0 FGADHM Cc1ccc(C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)s1 ZINC000826282064 608482127 /nfs/dbraw/zinc/48/21/27/608482127.db2.gz WRUSQTKBTSALSS-UHFFFAOYSA-N -1 3 351.435 3.166 20 0 FGADHM O=C(C=Cc1ccccc1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826401119 608485507 /nfs/dbraw/zinc/48/55/07/608485507.db2.gz QDINHENNICVYJF-WDZFZDKYSA-N -1 3 357.417 3.196 20 0 FGADHM O=C(C=Cc1ccccc1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826401119 608485508 /nfs/dbraw/zinc/48/55/08/608485508.db2.gz QDINHENNICVYJF-WDZFZDKYSA-N -1 3 357.417 3.196 20 0 FGADHM CSc1ccc(C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)o1 ZINC000826230421 608486827 /nfs/dbraw/zinc/48/68/27/608486827.db2.gz SKURJIYONCSOSV-UHFFFAOYSA-N -1 3 367.434 3.111 20 0 FGADHM CSc1ccc(C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)o1 ZINC000826230421 608486828 /nfs/dbraw/zinc/48/68/28/608486828.db2.gz SKURJIYONCSOSV-UHFFFAOYSA-N -1 3 367.434 3.111 20 0 FGADHM Cc1ccccc1CNC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826307641 608490281 /nfs/dbraw/zinc/49/02/81/608490281.db2.gz QREQEKFGTKNCQI-UHFFFAOYSA-N -1 3 374.448 3.174 20 0 FGADHM Cc1ccccc1CNC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826307641 608490283 /nfs/dbraw/zinc/49/02/83/608490283.db2.gz QREQEKFGTKNCQI-UHFFFAOYSA-N -1 3 374.448 3.174 20 0 FGADHM CSc1cccc(NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c1C ZINC000826230674 608547423 /nfs/dbraw/zinc/54/74/23/608547423.db2.gz FDSRCQXPELHRPB-UHFFFAOYSA-N -1 3 361.377 3.428 20 0 FGADHM CSc1cccc(NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c1C ZINC000826230674 608547424 /nfs/dbraw/zinc/54/74/24/608547424.db2.gz FDSRCQXPELHRPB-UHFFFAOYSA-N -1 3 361.377 3.428 20 0 FGADHM Fc1ccccc1COC1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000826378762 608558569 /nfs/dbraw/zinc/55/85/69/608558569.db2.gz ZJSUUUGTGSKHKO-UHFFFAOYSA-N -1 3 371.391 3.331 20 0 FGADHM Fc1ccccc1COC1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000826378762 608558571 /nfs/dbraw/zinc/55/85/71/608558571.db2.gz ZJSUUUGTGSKHKO-UHFFFAOYSA-N -1 3 371.391 3.331 20 0 FGADHM Clc1cccnc1NC1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000826353784 608558741 /nfs/dbraw/zinc/55/87/41/608558741.db2.gz DFRWIPHTVPEECY-UHFFFAOYSA-N -1 3 371.832 3.112 20 0 FGADHM Clc1cccnc1NC1CCC(Oc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000826353784 608558742 /nfs/dbraw/zinc/55/87/42/608558742.db2.gz DFRWIPHTVPEECY-UHFFFAOYSA-N -1 3 371.832 3.112 20 0 FGADHM CCc1sc(C(=O)Nc2nc3c(cc2-c2nnn[n-]2)CCCC3)cc1C ZINC000825782826 608571984 /nfs/dbraw/zinc/57/19/84/608571984.db2.gz QXNNHBSAPJNOKH-UHFFFAOYSA-N -1 3 368.466 3.325 20 0 FGADHM CCc1sc(C(=O)Nc2nc3c(cc2-c2nn[n-]n2)CCCC3)cc1C ZINC000825782826 608571986 /nfs/dbraw/zinc/57/19/86/608571986.db2.gz QXNNHBSAPJNOKH-UHFFFAOYSA-N -1 3 368.466 3.325 20 0 FGADHM C[C@@H](CCc1ccccc1)NC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000824406604 608573090 /nfs/dbraw/zinc/57/30/90/608573090.db2.gz NSCCOIKYEUPOFN-LBPRGKRZSA-N -1 3 355.829 3.271 20 0 FGADHM C[C@@H](CCc1ccccc1)NC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000824406604 608573091 /nfs/dbraw/zinc/57/30/91/608573091.db2.gz NSCCOIKYEUPOFN-LBPRGKRZSA-N -1 3 355.829 3.271 20 0 FGADHM O=C(NCCc1cccc(Cl)c1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826439886 608573927 /nfs/dbraw/zinc/57/39/27/608573927.db2.gz PBPISKGJWGHJGF-UHFFFAOYSA-N -1 3 362.220 3.146 20 0 FGADHM O=C(NCCc1cccc(Cl)c1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826439886 608573928 /nfs/dbraw/zinc/57/39/28/608573928.db2.gz PBPISKGJWGHJGF-UHFFFAOYSA-N -1 3 362.220 3.146 20 0 FGADHM CCS[C@H]1CC[C@H](N(C)C(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)C1 ZINC000825669283 608576574 /nfs/dbraw/zinc/57/65/74/608576574.db2.gz UKWFNEADURQFEO-RYUDHWBXSA-N -1 3 365.890 3.266 20 0 FGADHM CCS[C@H]1CC[C@H](N(C)C(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)C1 ZINC000825669283 608576575 /nfs/dbraw/zinc/57/65/75/608576575.db2.gz UKWFNEADURQFEO-RYUDHWBXSA-N -1 3 365.890 3.266 20 0 FGADHM O=C(c1ccc(Cl)c(-c2nnn[n-]2)c1)N1CCCC[C@@H]1c1nccs1 ZINC000826473400 608577368 /nfs/dbraw/zinc/57/73/68/608577368.db2.gz WYYZXWCMYMNHEL-CYBMUJFWSA-N -1 3 374.857 3.344 20 0 FGADHM O=C(c1ccc(Cl)c(-c2nn[n-]n2)c1)N1CCCC[C@@H]1c1nccs1 ZINC000826473400 608577369 /nfs/dbraw/zinc/57/73/69/608577369.db2.gz WYYZXWCMYMNHEL-CYBMUJFWSA-N -1 3 374.857 3.344 20 0 FGADHM CN(Cc1cc(Br)cs1)Cc1cc(-c2nn[n-]n2)cs1 ZINC000825953528 608589449 /nfs/dbraw/zinc/58/94/49/608589449.db2.gz JLZTXJRMCSIBFJ-UHFFFAOYSA-N -1 3 370.301 3.384 20 0 FGADHM Cc1ccc(C(=O)C2CCN(Cc3ccc(-c4nnn[n-]4)o3)CC2)c(C)c1 ZINC000826281281 608590462 /nfs/dbraw/zinc/59/04/62/608590462.db2.gz LMGPAPLJFJKTFZ-UHFFFAOYSA-N -1 3 365.437 3.171 20 0 FGADHM Cc1ccc(C(=O)C2CCN(Cc3ccc(-c4nn[n-]n4)o3)CC2)c(C)c1 ZINC000826281281 608590466 /nfs/dbraw/zinc/59/04/66/608590466.db2.gz LMGPAPLJFJKTFZ-UHFFFAOYSA-N -1 3 365.437 3.171 20 0 FGADHM FC(F)(F)[C@H]1C[C@H](C(F)(F)F)CN(Cc2ccc(-c3nn[n-]n3)o2)C1 ZINC000826367179 608621907 /nfs/dbraw/zinc/62/19/07/608621907.db2.gz ORLHXPFKNLJLBO-YUMQZZPRSA-N -1 3 369.269 3.022 20 0 FGADHM Fc1c(CSc2n[nH]c(Cc3cccs3)n2)cccc1-c1nnn[n-]1 ZINC000826371838 608670268 /nfs/dbraw/zinc/67/02/68/608670268.db2.gz WMXBCRWMQWFULM-UHFFFAOYSA-N -1 3 373.442 3.069 20 0 FGADHM Fc1c(CSc2n[nH]c(Cc3cccs3)n2)cccc1-c1nn[n-]n1 ZINC000826371838 608670271 /nfs/dbraw/zinc/67/02/71/608670271.db2.gz WMXBCRWMQWFULM-UHFFFAOYSA-N -1 3 373.442 3.069 20 0 FGADHM O=C(Oc1c(F)cccc1Cl)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000826467638 608672821 /nfs/dbraw/zinc/67/28/21/608672821.db2.gz GKZNEZZIZDRADD-UHFFFAOYSA-N -1 3 354.675 3.157 20 0 FGADHM O=C(Oc1c(F)cccc1Cl)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826467638 608672822 /nfs/dbraw/zinc/67/28/22/608672822.db2.gz GKZNEZZIZDRADD-UHFFFAOYSA-N -1 3 354.675 3.157 20 0 FGADHM C[C@@H]1CN(Cc2cc(-c3nnn[n-]3)cs2)C[C@H](c2ccc(F)cc2)O1 ZINC000824984527 608718687 /nfs/dbraw/zinc/71/86/87/608718687.db2.gz LABOQEQNAXKHKL-BDJLRTHQSA-N -1 3 359.430 3.029 20 0 FGADHM C[C@@H]1CN(Cc2cc(-c3nn[n-]n3)cs2)C[C@H](c2ccc(F)cc2)O1 ZINC000824984527 608718689 /nfs/dbraw/zinc/71/86/89/608718689.db2.gz LABOQEQNAXKHKL-BDJLRTHQSA-N -1 3 359.430 3.029 20 0 FGADHM Clc1ccccc1O[C@@H]1CCN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC000826353513 608745156 /nfs/dbraw/zinc/74/51/56/608745156.db2.gz SFONAMFUQGVOOM-LLVKDONJSA-N -1 3 361.858 3.235 20 0 FGADHM CCc1ccc(NCc2cccc(C(=O)OC)c2-c2nnn[n-]2)cc1C ZINC000825718136 608751942 /nfs/dbraw/zinc/75/19/42/608751942.db2.gz WYKMJXNDIYBZDT-UHFFFAOYSA-N -1 3 351.410 3.136 20 0 FGADHM CCc1ccc(NCc2cccc(C(=O)OC)c2-c2nn[n-]n2)cc1C ZINC000825718136 608751944 /nfs/dbraw/zinc/75/19/44/608751944.db2.gz WYKMJXNDIYBZDT-UHFFFAOYSA-N -1 3 351.410 3.136 20 0 FGADHM Brc1ccc2c(c1)CC[C@@H]2Nc1cnccc1-c1nnn[n-]1 ZINC000823831848 608776614 /nfs/dbraw/zinc/77/66/14/608776614.db2.gz FMFAKGNISYRFJL-ZDUSSCGKSA-N -1 3 357.215 3.124 20 0 FGADHM Brc1ccc2c(c1)CC[C@@H]2Nc1cnccc1-c1nn[n-]n1 ZINC000823831848 608776617 /nfs/dbraw/zinc/77/66/17/608776617.db2.gz FMFAKGNISYRFJL-ZDUSSCGKSA-N -1 3 357.215 3.124 20 0 FGADHM COc1cccc(C2(CNc3cnccc3-c3nnn[n-]3)CCCC2)c1 ZINC000826215386 608781371 /nfs/dbraw/zinc/78/13/71/608781371.db2.gz NMBBFPGFEKSBFC-UHFFFAOYSA-N -1 3 350.426 3.194 20 0 FGADHM COc1cccc(C2(CNc3cnccc3-c3nn[n-]n3)CCCC2)c1 ZINC000826215386 608781372 /nfs/dbraw/zinc/78/13/72/608781372.db2.gz NMBBFPGFEKSBFC-UHFFFAOYSA-N -1 3 350.426 3.194 20 0 FGADHM Clc1ccccc1C1(CNc2cnccc2-c2nnn[n-]2)CCOCC1 ZINC000826353505 608782224 /nfs/dbraw/zinc/78/22/24/608782224.db2.gz RTXDIVRSBWKUOA-UHFFFAOYSA-N -1 3 370.844 3.075 20 0 FGADHM Clc1ccccc1C1(CNc2cnccc2-c2nn[n-]n2)CCOCC1 ZINC000826353505 608782227 /nfs/dbraw/zinc/78/22/27/608782227.db2.gz RTXDIVRSBWKUOA-UHFFFAOYSA-N -1 3 370.844 3.075 20 0 FGADHM C[C@@H]1C[C@@H]1c1ccc(CN2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)o1 ZINC000824900439 608853008 /nfs/dbraw/zinc/85/30/08/608853008.db2.gz VEMDXAYTVQKRCX-XVGQJIODSA-N -1 3 365.437 3.157 20 0 FGADHM C[C@@H]1C[C@@H]1c1ccc(CN2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)o1 ZINC000824900439 608853012 /nfs/dbraw/zinc/85/30/12/608853012.db2.gz VEMDXAYTVQKRCX-XVGQJIODSA-N -1 3 365.437 3.157 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCC[C@@H]1/C=C/c1ccccc1 ZINC000826245477 609138137 /nfs/dbraw/zinc/13/81/37/609138137.db2.gz ZDCUGSJIBSXBSO-SXAWMYDMSA-N -1 3 359.433 3.493 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCC[C@@H]1/C=C/c1ccccc1 ZINC000826245477 609138139 /nfs/dbraw/zinc/13/81/39/609138139.db2.gz ZDCUGSJIBSXBSO-SXAWMYDMSA-N -1 3 359.433 3.493 20 0 FGADHM O=C(c1cc(-c2nnn[n-]2)cs1)N1CCC[C@@H]1/C=C\c1ccccc1 ZINC000826470509 609139805 /nfs/dbraw/zinc/13/98/05/609139805.db2.gz SKTGNMQREMUOOG-WHLNPGIBSA-N -1 3 351.435 3.246 20 0 FGADHM O=C(c1cc(-c2nn[n-]n2)cs1)N1CCC[C@@H]1/C=C\c1ccccc1 ZINC000826470509 609139806 /nfs/dbraw/zinc/13/98/06/609139806.db2.gz SKTGNMQREMUOOG-WHLNPGIBSA-N -1 3 351.435 3.246 20 0 FGADHM CSc1ccccc1CC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000826231025 609143506 /nfs/dbraw/zinc/14/35/06/609143506.db2.gz UGHRREVQQCYPMU-UHFFFAOYSA-N -1 3 371.491 3.320 20 0 FGADHM CSc1ccccc1CC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000826231025 609143508 /nfs/dbraw/zinc/14/35/08/609143508.db2.gz UGHRREVQQCYPMU-UHFFFAOYSA-N -1 3 371.491 3.320 20 0 FGADHM Cc1cc(N2CCOCC2)ccc1N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826269199 609158735 /nfs/dbraw/zinc/15/87/35/609158735.db2.gz DFYYCDDDXBZLIV-OAHLLOKOSA-N -1 3 364.453 3.185 20 0 FGADHM Cc1cc(N2CCOCC2)ccc1N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826269199 609158737 /nfs/dbraw/zinc/15/87/37/609158737.db2.gz DFYYCDDDXBZLIV-OAHLLOKOSA-N -1 3 364.453 3.185 20 0 FGADHM c1[nH]c(CNc2ccc3ccccc3n2)nc1-c1cccc(-c2nnn[n-]2)c1 ZINC000826512585 609166923 /nfs/dbraw/zinc/16/69/23/609166923.db2.gz GJRRIMTZGJKLET-UHFFFAOYSA-N -1 3 368.404 3.417 20 0 FGADHM c1[nH]c(CNc2ccc3ccccc3n2)nc1-c1cccc(-c2nn[n-]n2)c1 ZINC000826512585 609166925 /nfs/dbraw/zinc/16/69/25/609166925.db2.gz GJRRIMTZGJKLET-UHFFFAOYSA-N -1 3 368.404 3.417 20 0 FGADHM FC(F)(F)c1cc(N2CCC[C@@H]2C2CCOCC2)ccc1-c1nnn[n-]1 ZINC000826368548 609170066 /nfs/dbraw/zinc/17/00/66/609170066.db2.gz UKLPWIKUJPWTHW-OAHLLOKOSA-N -1 3 367.375 3.281 20 0 FGADHM FC(F)(F)c1cc(N2CCC[C@@H]2C2CCOCC2)ccc1-c1nn[n-]n1 ZINC000826368548 609170067 /nfs/dbraw/zinc/17/00/67/609170067.db2.gz UKLPWIKUJPWTHW-OAHLLOKOSA-N -1 3 367.375 3.281 20 0 FGADHM CCOC(=O)Nc1ccc(NC[C@@H]2CCO[C@H](CC)C2)cc1-c1nnn[n-]1 ZINC000825553399 609172290 /nfs/dbraw/zinc/17/22/90/609172290.db2.gz PNXNORXDPYMRMU-TZMCWYRMSA-N -1 3 374.445 3.052 20 0 FGADHM CCOC(=O)Nc1ccc(NC[C@@H]2CCO[C@H](CC)C2)cc1-c1nn[n-]n1 ZINC000825553399 609172292 /nfs/dbraw/zinc/17/22/92/609172292.db2.gz PNXNORXDPYMRMU-TZMCWYRMSA-N -1 3 374.445 3.052 20 0 FGADHM Clc1cnc(Cn2ccc(-c3ccc(-c4nnn[n-]4)cc3)n2)c(Cl)c1 ZINC000826353838 609174985 /nfs/dbraw/zinc/17/49/85/609174985.db2.gz FZHJWZYMHXTNEF-UHFFFAOYSA-N -1 3 372.219 3.480 20 0 FGADHM Clc1cnc(Cn2ccc(-c3ccc(-c4nn[n-]n4)cc3)n2)c(Cl)c1 ZINC000826353838 609174989 /nfs/dbraw/zinc/17/49/89/609174989.db2.gz FZHJWZYMHXTNEF-UHFFFAOYSA-N -1 3 372.219 3.480 20 0 FGADHM COCCOc1ccc(N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1F ZINC000826162856 609182521 /nfs/dbraw/zinc/18/25/21/609182521.db2.gz VGLJMLRIEFZEDJ-GFCCVEGCSA-N -1 3 357.389 3.204 20 0 FGADHM COCCOc1ccc(N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1F ZINC000826162856 609182523 /nfs/dbraw/zinc/18/25/23/609182523.db2.gz VGLJMLRIEFZEDJ-GFCCVEGCSA-N -1 3 357.389 3.204 20 0 FGADHM Cc1ccc([C@H]2[C@@H](C)CCCN2C(=O)c2c[nH]c(-c3nnn[n-]3)c2)cc1 ZINC000826284829 609216256 /nfs/dbraw/zinc/21/62/56/609216256.db2.gz HJDQEQNSLNXHTQ-SUMWQHHRSA-N -1 3 350.426 3.117 20 0 FGADHM Cc1ccc([C@H]2[C@@H](C)CCCN2C(=O)c2c[nH]c(-c3nn[n-]n3)c2)cc1 ZINC000826284829 609216257 /nfs/dbraw/zinc/21/62/57/609216257.db2.gz HJDQEQNSLNXHTQ-SUMWQHHRSA-N -1 3 350.426 3.117 20 0 FGADHM CSc1ccccc1CC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826230860 609233989 /nfs/dbraw/zinc/23/39/89/609233989.db2.gz MMYJDWDHLLHLME-LBPRGKRZSA-N -1 3 353.451 3.009 20 0 FGADHM CSc1ccccc1CC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826230860 609233991 /nfs/dbraw/zinc/23/39/91/609233991.db2.gz MMYJDWDHLLHLME-LBPRGKRZSA-N -1 3 353.451 3.009 20 0 FGADHM C[C@H](Nc1ccc(O[C@H]2CCOC2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824657582 609237228 /nfs/dbraw/zinc/23/72/28/609237228.db2.gz RJVJNCOBOKBLPJ-UGSOOPFHSA-N -1 3 351.410 3.208 20 0 FGADHM C[C@H](Nc1ccc(O[C@H]2CCOC2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824657582 609237230 /nfs/dbraw/zinc/23/72/30/609237230.db2.gz RJVJNCOBOKBLPJ-UGSOOPFHSA-N -1 3 351.410 3.208 20 0 FGADHM CCCn1c2ccccc2nc1NCc1ccc(-c2nnn[n-]2)cc1F ZINC000825356845 609264204 /nfs/dbraw/zinc/26/42/04/609264204.db2.gz MSDZSSUIQLYZHB-UHFFFAOYSA-N -1 3 351.389 3.378 20 0 FGADHM CCCn1c2ccccc2nc1NCc1ccc(-c2nn[n-]n2)cc1F ZINC000825356845 609264205 /nfs/dbraw/zinc/26/42/05/609264205.db2.gz MSDZSSUIQLYZHB-UHFFFAOYSA-N -1 3 351.389 3.378 20 0 FGADHM Fc1ccc(Cc2nnc(NCc3cc(-c4nnn[n-]4)cs3)s2)cc1 ZINC000826374480 609266222 /nfs/dbraw/zinc/26/62/22/609266222.db2.gz AFIOGZOOMZHDJA-UHFFFAOYSA-N -1 3 373.442 3.122 20 0 FGADHM Fc1ccc(Cc2nnc(NCc3cc(-c4nn[n-]n4)cs3)s2)cc1 ZINC000826374480 609266224 /nfs/dbraw/zinc/26/62/24/609266224.db2.gz AFIOGZOOMZHDJA-UHFFFAOYSA-N -1 3 373.442 3.122 20 0 FGADHM CCN(C(=O)C=Cc1ccc(O)cc1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367184 609268669 /nfs/dbraw/zinc/26/86/69/609268669.db2.gz KLGLKTSKRKJJSV-XMRSSTEGSA-N -1 3 363.421 3.195 20 0 FGADHM CCN(C(=O)C=Cc1ccc(O)cc1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367184 609268670 /nfs/dbraw/zinc/26/86/70/609268670.db2.gz KLGLKTSKRKJJSV-XMRSSTEGSA-N -1 3 363.421 3.195 20 0 FGADHM CN(C)C(=O)c1cccc(N[C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)c1 ZINC000825851733 609274011 /nfs/dbraw/zinc/27/40/11/609274011.db2.gz XPPDHTDPKVCOBC-SFHVURJKSA-N -1 3 362.437 3.058 20 0 FGADHM CN(C)C(=O)c1cccc(N[C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)c1 ZINC000825851733 609274013 /nfs/dbraw/zinc/27/40/13/609274013.db2.gz XPPDHTDPKVCOBC-SFHVURJKSA-N -1 3 362.437 3.058 20 0 FGADHM Cc1ccc(C(=O)NC2CC2)cc1N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826282002 609274484 /nfs/dbraw/zinc/27/44/84/609274484.db2.gz TWMKCYPHTLGRCK-CYBMUJFWSA-N -1 3 362.437 3.240 20 0 FGADHM Cc1ccc(C(=O)NC2CC2)cc1N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826282002 609274485 /nfs/dbraw/zinc/27/44/85/609274485.db2.gz TWMKCYPHTLGRCK-CYBMUJFWSA-N -1 3 362.437 3.240 20 0 FGADHM C[C@H](Nc1ccc(N2CCOCC2)c(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824657929 609277301 /nfs/dbraw/zinc/27/73/01/609277301.db2.gz SQHLTEQYNRBJHT-ZDUSSCGKSA-N -1 3 368.416 3.016 20 0 FGADHM C[C@H](Nc1ccc(N2CCOCC2)c(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824657929 609277302 /nfs/dbraw/zinc/27/73/02/609277302.db2.gz SQHLTEQYNRBJHT-ZDUSSCGKSA-N -1 3 368.416 3.016 20 0 FGADHM CN(Cc1ccc(Cl)cc1)C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000825966063 609286662 /nfs/dbraw/zinc/28/66/62/609286662.db2.gz MLFXPWJSMNZYJU-UHFFFAOYSA-N -1 3 362.220 3.446 20 0 FGADHM CN(Cc1ccc(Cl)cc1)C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000825966063 609286663 /nfs/dbraw/zinc/28/66/63/609286663.db2.gz MLFXPWJSMNZYJU-UHFFFAOYSA-N -1 3 362.220 3.446 20 0 FGADHM O=C(c1ccc(Cl)c(-c2nnn[n-]2)c1)N1CCC[C@H]1Cc1ccccc1 ZINC000826473311 609288015 /nfs/dbraw/zinc/28/80/15/609288015.db2.gz SKMJCKACUGLIEY-HNNXBMFYSA-N -1 3 367.840 3.367 20 0 FGADHM O=C(c1ccc(Cl)c(-c2nn[n-]n2)c1)N1CCC[C@H]1Cc1ccccc1 ZINC000826473311 609288017 /nfs/dbraw/zinc/28/80/17/609288017.db2.gz SKMJCKACUGLIEY-HNNXBMFYSA-N -1 3 367.840 3.367 20 0 FGADHM CC(C)(CNC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC000824158387 609299344 /nfs/dbraw/zinc/29/93/44/609299344.db2.gz VHMVQVPACJZBCO-UHFFFAOYSA-N -1 3 373.819 3.367 20 0 FGADHM CC(C)(CNC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC000824158387 609299345 /nfs/dbraw/zinc/29/93/45/609299345.db2.gz VHMVQVPACJZBCO-UHFFFAOYSA-N -1 3 373.819 3.367 20 0 FGADHM Cc1ccc(O[C@H](C)CNC(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)cc1 ZINC000826291953 609301362 /nfs/dbraw/zinc/30/13/62/609301362.db2.gz CGEDSNYIWAGGSD-GFCCVEGCSA-N -1 3 371.828 3.026 20 0 FGADHM Cc1ccc(O[C@H](C)CNC(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)cc1 ZINC000826291953 609301364 /nfs/dbraw/zinc/30/13/64/609301364.db2.gz CGEDSNYIWAGGSD-GFCCVEGCSA-N -1 3 371.828 3.026 20 0 FGADHM COCCC[C@H](C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@@H](C)C2 ZINC000826155630 609304213 /nfs/dbraw/zinc/30/42/13/609304213.db2.gz WTQZTOCUIAUVNK-MNOVXSKESA-N -1 3 363.487 3.054 20 0 FGADHM COCCC[C@H](C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@@H](C)C2 ZINC000826155630 609304214 /nfs/dbraw/zinc/30/42/14/609304214.db2.gz WTQZTOCUIAUVNK-MNOVXSKESA-N -1 3 363.487 3.054 20 0 FGADHM Cc1nn(-c2ccccc2)cc1Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC000826332635 609311880 /nfs/dbraw/zinc/31/18/80/609311880.db2.gz AEUCPSMMDLBNJA-UHFFFAOYSA-N -1 3 352.789 3.153 20 0 FGADHM Cc1nn(-c2ccccc2)cc1Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC000826332635 609311882 /nfs/dbraw/zinc/31/18/82/609311882.db2.gz AEUCPSMMDLBNJA-UHFFFAOYSA-N -1 3 352.789 3.153 20 0 FGADHM CC(C)CN(C)C(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000824255380 609311931 /nfs/dbraw/zinc/31/19/31/609311931.db2.gz HPTVQVHXVCIEPZ-UHFFFAOYSA-N -1 3 351.410 3.387 20 0 FGADHM CC(C)CN(C)C(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000824255380 609311932 /nfs/dbraw/zinc/31/19/32/609311932.db2.gz HPTVQVHXVCIEPZ-UHFFFAOYSA-N -1 3 351.410 3.387 20 0 FGADHM Cc1ccc(CNc2c(F)cc(-c3nn[n-]n3)cc2F)c(N2CCCC2)n1 ZINC000826288781 609313497 /nfs/dbraw/zinc/31/34/97/609313497.db2.gz WMLCVLHHRWBULI-UHFFFAOYSA-N -1 3 371.395 3.061 20 0 FGADHM CCc1c(C)sc(NC(=O)[C@@H](F)Cc2ccccc2)c1-c1nnn[n-]1 ZINC000825687276 609316577 /nfs/dbraw/zinc/31/65/77/609316577.db2.gz DWYIOWDXXUALAO-ZDUSSCGKSA-N -1 3 359.430 3.318 20 0 FGADHM CCc1c(C)sc(NC(=O)[C@@H](F)Cc2ccccc2)c1-c1nn[n-]n1 ZINC000825687276 609316579 /nfs/dbraw/zinc/31/65/79/609316579.db2.gz DWYIOWDXXUALAO-ZDUSSCGKSA-N -1 3 359.430 3.318 20 0 FGADHM Cc1ccc(CNc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)c(C)c1 ZINC000826288543 609320270 /nfs/dbraw/zinc/32/02/70/609320270.db2.gz LZCBPJYJUMUFEM-UHFFFAOYSA-N -1 3 363.400 3.420 20 0 FGADHM Brc1cc(-c2nn[n-]n2)ccc1CSC[C@H]1CCCO1 ZINC000823821295 609328439 /nfs/dbraw/zinc/32/84/39/609328439.db2.gz RTTLKJJDQHELMT-LLVKDONJSA-N -1 3 355.261 3.041 20 0 FGADHM Brc1cc(-c2nnn[n-]2)ccc1CSC[C@H]1CCCO1 ZINC000823821295 609328436 /nfs/dbraw/zinc/32/84/36/609328436.db2.gz RTTLKJJDQHELMT-LLVKDONJSA-N -1 3 355.261 3.041 20 0 FGADHM CCN(C(=O)[C@@H](F)Cc1ccccc1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825366840 609332752 /nfs/dbraw/zinc/33/27/52/609332752.db2.gz GUWVYFFDJCZZDC-INIZCTEOSA-N -1 3 373.819 3.454 20 0 FGADHM CCN(C(=O)[C@@H](F)Cc1ccccc1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825366840 609332754 /nfs/dbraw/zinc/33/27/54/609332754.db2.gz GUWVYFFDJCZZDC-INIZCTEOSA-N -1 3 373.819 3.454 20 0 FGADHM Cc1ccc2c(c1C)OC[C@@H]2N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1F ZINC000826293860 609341738 /nfs/dbraw/zinc/34/17/38/609341738.db2.gz CWAWNMMRCDFRKN-SJCJKPOMSA-N -1 3 353.401 3.407 20 0 FGADHM Cc1ccc2c(c1C)OC[C@@H]2N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1F ZINC000826293860 609341741 /nfs/dbraw/zinc/34/17/41/609341741.db2.gz CWAWNMMRCDFRKN-SJCJKPOMSA-N -1 3 353.401 3.407 20 0 FGADHM CCN(C(=O)C[C@H]1CCO[C@@H](C(C)C)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825366727 609392393 /nfs/dbraw/zinc/39/23/93/609392393.db2.gz FKDZUQLVKZWVAG-WMLDXEAASA-N -1 3 357.458 3.061 20 0 FGADHM CCN(C(=O)C[C@H]1CCO[C@@H](C(C)C)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825366727 609392395 /nfs/dbraw/zinc/39/23/95/609392395.db2.gz FKDZUQLVKZWVAG-WMLDXEAASA-N -1 3 357.458 3.061 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)C[C@H]1CCO[C@@H](C(C)C)C1 ZINC000826253186 609397507 /nfs/dbraw/zinc/39/75/07/609397507.db2.gz HOENLVYZWQZCJD-WMLDXEAASA-N -1 3 358.442 3.060 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)C[C@H]1CCO[C@@H](C(C)C)C1 ZINC000826253186 609397509 /nfs/dbraw/zinc/39/75/09/609397509.db2.gz HOENLVYZWQZCJD-WMLDXEAASA-N -1 3 358.442 3.060 20 0 FGADHM C[C@@H]1CCN(C(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)C[C@@H]1F ZINC000824953598 609398787 /nfs/dbraw/zinc/39/87/87/609398787.db2.gz GJQINDLGAVQJNE-ACJLOTCBSA-N -1 3 365.412 3.354 20 0 FGADHM C[C@@H]1CCN(C(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)C[C@@H]1F ZINC000824953598 609398788 /nfs/dbraw/zinc/39/87/88/609398788.db2.gz GJQINDLGAVQJNE-ACJLOTCBSA-N -1 3 365.412 3.354 20 0 FGADHM COc1ccc2c(c1)C[C@H](C)N(C(=O)c1ccc(-c3nnn[n-]3)cc1)[C@H]2C ZINC000826212346 609408232 /nfs/dbraw/zinc/40/82/32/609408232.db2.gz NOZWBMZKVMIHPG-STQMWFEESA-N -1 3 363.421 3.023 20 0 FGADHM COc1ccc2c(c1)C[C@H](C)N(C(=O)c1ccc(-c3nn[n-]n3)cc1)[C@H]2C ZINC000826212346 609408235 /nfs/dbraw/zinc/40/82/35/609408235.db2.gz NOZWBMZKVMIHPG-STQMWFEESA-N -1 3 363.421 3.023 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)C[C@@H]1CCO[C@@H](CC)C1 ZINC000825332538 609413681 /nfs/dbraw/zinc/41/36/81/609413681.db2.gz HOKNTUFGHNFKGR-HIFRSBDPSA-N -1 3 372.473 3.222 20 0 FGADHM CC(=O)c1ccc(-c2nnn[n-]2)cc1N(C)Cc1nc2c(s1)CCCC2 ZINC000824015183 609422980 /nfs/dbraw/zinc/42/29/80/609422980.db2.gz RVFXWPAAIMKNNF-UHFFFAOYSA-N -1 3 368.466 3.041 20 0 FGADHM CC(=O)c1ccc(-c2nn[n-]n2)cc1N(C)Cc1nc2c(s1)CCCC2 ZINC000824015183 609422981 /nfs/dbraw/zinc/42/29/81/609422981.db2.gz RVFXWPAAIMKNNF-UHFFFAOYSA-N -1 3 368.466 3.041 20 0 FGADHM CC(=O)c1ccc(-c2nnn[n-]2)cc1N1CCC[C@@H](Nc2ccccc2)C1 ZINC000824019545 609423054 /nfs/dbraw/zinc/42/30/54/609423054.db2.gz GANYTQDRCFJCLM-QGZVFWFLSA-N -1 3 362.437 3.150 20 0 FGADHM CC(=O)c1ccc(-c2nn[n-]n2)cc1N1CCC[C@@H](Nc2ccccc2)C1 ZINC000824019545 609423055 /nfs/dbraw/zinc/42/30/55/609423055.db2.gz GANYTQDRCFJCLM-QGZVFWFLSA-N -1 3 362.437 3.150 20 0 FGADHM Clc1cc(-c2nn[n-]n2)ccc1NCc1ccn(-c2ccccc2)n1 ZINC000826350666 609440169 /nfs/dbraw/zinc/44/01/69/609440169.db2.gz GMPXSHNGMMZPKU-UHFFFAOYSA-N -1 3 351.801 3.318 20 0 FGADHM O=C(CSCCCc1cccc(F)c1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000826419674 609442540 /nfs/dbraw/zinc/44/25/40/609442540.db2.gz HHLBWFFJLVKAGY-UHFFFAOYSA-N -1 3 371.441 3.310 20 0 FGADHM O=C(CSCCCc1cccc(F)c1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000826419674 609442542 /nfs/dbraw/zinc/44/25/42/609442542.db2.gz HHLBWFFJLVKAGY-UHFFFAOYSA-N -1 3 371.441 3.310 20 0 FGADHM CCOc1ccc(OCC)c(NCc2cccc(-c3nnn[n-]3)c2F)c1 ZINC000825643287 609475354 /nfs/dbraw/zinc/47/53/54/609475354.db2.gz KXTGKEZUPDBOEA-UHFFFAOYSA-N -1 3 357.389 3.415 20 0 FGADHM CCOc1ccc(OCC)c(NCc2cccc(-c3nn[n-]n3)c2F)c1 ZINC000825643287 609475355 /nfs/dbraw/zinc/47/53/55/609475355.db2.gz KXTGKEZUPDBOEA-UHFFFAOYSA-N -1 3 357.389 3.415 20 0 FGADHM COc1cc2c(c(CNc3cc(-c4nnn[n-]4)ccc3C)c1)O[C@H](C)C2 ZINC000826179606 609478724 /nfs/dbraw/zinc/47/87/24/609478724.db2.gz WCAVJWFEOFPGCI-GFCCVEGCSA-N -1 3 351.410 3.119 20 0 FGADHM COc1cc2c(c(CNc3cc(-c4nn[n-]n4)ccc3C)c1)O[C@H](C)C2 ZINC000826179606 609478726 /nfs/dbraw/zinc/47/87/26/609478726.db2.gz WCAVJWFEOFPGCI-GFCCVEGCSA-N -1 3 351.410 3.119 20 0 FGADHM COc1ccc(CNc2cc(-c3nnn[n-]3)ccc2C)cc1OC(F)F ZINC000826203226 609478882 /nfs/dbraw/zinc/47/88/82/609478882.db2.gz FLEBMQNXOGSXTA-UHFFFAOYSA-N -1 3 361.352 3.397 20 0 FGADHM COc1ccc(CNc2cc(-c3nn[n-]n3)ccc2C)cc1OC(F)F ZINC000826203226 609478886 /nfs/dbraw/zinc/47/88/86/609478886.db2.gz FLEBMQNXOGSXTA-UHFFFAOYSA-N -1 3 361.352 3.397 20 0 FGADHM Cc1ccncc1C=CC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000826315376 609478917 /nfs/dbraw/zinc/47/89/17/609478917.db2.gz HVUPYQQCNBBRNL-CMDGGOBGSA-N -1 3 362.437 3.021 20 0 FGADHM Cc1ccncc1C=CC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000826315376 609478919 /nfs/dbraw/zinc/47/89/19/609478919.db2.gz HVUPYQQCNBBRNL-CMDGGOBGSA-N -1 3 362.437 3.021 20 0 FGADHM Fc1ccc(NCc2cccc(-c3nnn[n-]3)c2F)c(OC(F)F)c1 ZINC000826375331 609479456 /nfs/dbraw/zinc/47/94/56/609479456.db2.gz JBXNQEOINDQLSK-UHFFFAOYSA-N -1 3 353.279 3.358 20 0 FGADHM Fc1ccc(NCc2cccc(-c3nn[n-]n3)c2F)c(OC(F)F)c1 ZINC000826375331 609479458 /nfs/dbraw/zinc/47/94/58/609479458.db2.gz JBXNQEOINDQLSK-UHFFFAOYSA-N -1 3 353.279 3.358 20 0 FGADHM COc1ccc(CNc2cc(-c3nnn[n-]3)ccc2OC(C)C)cc1OC ZINC000826203519 609479546 /nfs/dbraw/zinc/47/95/46/609479546.db2.gz SEBVQZIYEAWVID-UHFFFAOYSA-N -1 3 369.425 3.283 20 0 FGADHM COc1ccc(CNc2cc(-c3nn[n-]n3)ccc2OC(C)C)cc1OC ZINC000826203519 609479548 /nfs/dbraw/zinc/47/95/48/609479548.db2.gz SEBVQZIYEAWVID-UHFFFAOYSA-N -1 3 369.425 3.283 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C=Cc1cnccc1C ZINC000825313297 609480242 /nfs/dbraw/zinc/48/02/42/609480242.db2.gz ABJTWSLBRBJUHQ-HJWRWDBZSA-N -1 3 362.437 3.022 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C=Cc1cnccc1C ZINC000825313297 609480244 /nfs/dbraw/zinc/48/02/44/609480244.db2.gz ABJTWSLBRBJUHQ-HJWRWDBZSA-N -1 3 362.437 3.022 20 0 FGADHM Cc1cccc2ncc(CNc3cc(-c4nn[n-]n4)ccc3OC(C)C)n21 ZINC000826304959 609480312 /nfs/dbraw/zinc/48/03/12/609480312.db2.gz FVLXKIFWYAUBSQ-UHFFFAOYSA-N -1 3 363.425 3.222 20 0 FGADHM CSc1c(F)cc(NCCOc2cccc(-c3nnn[n-]3)c2)cc1F ZINC000826229956 609481652 /nfs/dbraw/zinc/48/16/52/609481652.db2.gz XVPGUQRSYQSWMH-UHFFFAOYSA-N -1 3 363.393 3.358 20 0 FGADHM CSc1c(F)cc(NCCOc2cccc(-c3nn[n-]n3)c2)cc1F ZINC000826229956 609481654 /nfs/dbraw/zinc/48/16/54/609481654.db2.gz XVPGUQRSYQSWMH-UHFFFAOYSA-N -1 3 363.393 3.358 20 0 FGADHM Cc1ccccc1C1=CCN(C(=O)CCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000826306882 609502954 /nfs/dbraw/zinc/50/29/54/609502954.db2.gz OTBSMOWHUDKARD-UHFFFAOYSA-N -1 3 359.433 3.034 20 0 FGADHM Cc1ccccc1C1=CCN(C(=O)CCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826306882 609502957 /nfs/dbraw/zinc/50/29/57/609502957.db2.gz OTBSMOWHUDKARD-UHFFFAOYSA-N -1 3 359.433 3.034 20 0 FGADHM Cc1cc(C(=O)Nc2ccc(C)c(C)c2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826291145 609505787 /nfs/dbraw/zinc/50/57/87/609505787.db2.gz RQLIUZCDCBAFED-UHFFFAOYSA-N -1 3 373.420 3.230 20 0 FGADHM Cc1cc(C(=O)Nc2ccc(C)c(C)c2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826291145 609505789 /nfs/dbraw/zinc/50/57/89/609505789.db2.gz RQLIUZCDCBAFED-UHFFFAOYSA-N -1 3 373.420 3.230 20 0 FGADHM C[C@H]1C[C@H](C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)C[C@@H](C)C1 ZINC000824875349 609518766 /nfs/dbraw/zinc/51/87/66/609518766.db2.gz LXLVHSCWQXSAJJ-HALDLXJZSA-N -1 3 353.470 3.430 20 0 FGADHM C[C@H]1C[C@H](C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)C[C@@H](C)C1 ZINC000824875349 609518768 /nfs/dbraw/zinc/51/87/68/609518768.db2.gz LXLVHSCWQXSAJJ-HALDLXJZSA-N -1 3 353.470 3.430 20 0 FGADHM COc1ccc(N(C#N)Cc2ccc(F)c(-c3nnn[n-]3)c2)cc1Cl ZINC000826209297 609524214 /nfs/dbraw/zinc/52/42/14/609524214.db2.gz VUYWJOYLDCMSMY-UHFFFAOYSA-N -1 3 358.764 3.155 20 0 FGADHM COc1ccc(N(C#N)Cc2ccc(F)c(-c3nn[n-]n3)c2)cc1Cl ZINC000826209297 609524217 /nfs/dbraw/zinc/52/42/17/609524217.db2.gz VUYWJOYLDCMSMY-UHFFFAOYSA-N -1 3 358.764 3.155 20 0 FGADHM Cc1c(Cl)cnc(N2CCc3[nH]c4ccccc4c3C2)c1-c1nnn[n-]1 ZINC000826238272 609526454 /nfs/dbraw/zinc/52/64/54/609526454.db2.gz BSNUOYQNLBAGIL-UHFFFAOYSA-N -1 3 365.828 3.268 20 0 FGADHM Cc1c(Cl)cnc(N2CCc3[nH]c4ccccc4c3C2)c1-c1nn[n-]n1 ZINC000826238272 609526456 /nfs/dbraw/zinc/52/64/56/609526456.db2.gz BSNUOYQNLBAGIL-UHFFFAOYSA-N -1 3 365.828 3.268 20 0 FGADHM Cc1c(Cl)cnc(N[C@H](C)c2ccc3c(c2)OCO3)c1-c1nnn[n-]1 ZINC000826238316 609526500 /nfs/dbraw/zinc/52/65/00/609526500.db2.gz CPXDOQGQUUWSRT-SECBINFHSA-N -1 3 358.789 3.125 20 0 FGADHM Cc1c(Cl)cnc(N[C@H](C)c2ccc3c(c2)OCO3)c1-c1nn[n-]n1 ZINC000826238316 609526502 /nfs/dbraw/zinc/52/65/02/609526502.db2.gz CPXDOQGQUUWSRT-SECBINFHSA-N -1 3 358.789 3.125 20 0 FGADHM Cc1cc(C)n(-c2ccc(CCNc3nccc(C)c3-c3nnn[n-]3)cc2)n1 ZINC000826264897 609535162 /nfs/dbraw/zinc/53/51/62/609535162.db2.gz DTERUILDZQPISD-UHFFFAOYSA-N -1 3 374.452 3.027 20 0 FGADHM Cc1cc(C)n(-c2ccc(CCNc3nccc(C)c3-c3nn[n-]n3)cc2)n1 ZINC000826264897 609535164 /nfs/dbraw/zinc/53/51/64/609535164.db2.gz DTERUILDZQPISD-UHFFFAOYSA-N -1 3 374.452 3.027 20 0 FGADHM Cc1c(Cl)cnc(NC[C@H]2CCCO[C@@H]2C(C)(C)C)c1-c1nnn[n-]1 ZINC000826239647 609557411 /nfs/dbraw/zinc/55/74/11/609557411.db2.gz MURFLTZSMDMXKQ-RISCZKNCSA-N -1 3 364.881 3.477 20 0 FGADHM Cc1c(Cl)cnc(NC[C@H]2CCCO[C@@H]2C(C)(C)C)c1-c1nn[n-]n1 ZINC000826239647 609557412 /nfs/dbraw/zinc/55/74/12/609557412.db2.gz MURFLTZSMDMXKQ-RISCZKNCSA-N -1 3 364.881 3.477 20 0 FGADHM Cc1ccnc(NC[C@@H](O)c2c(Cl)cccc2Cl)c1-c1nnn[n-]1 ZINC000826312694 609558850 /nfs/dbraw/zinc/55/88/50/609558850.db2.gz LXSTVJYOSHPBCQ-LLVKDONJSA-N -1 3 365.224 3.022 20 0 FGADHM Cc1ccnc(NC[C@@H](O)c2c(Cl)cccc2Cl)c1-c1nn[n-]n1 ZINC000826312694 609558852 /nfs/dbraw/zinc/55/88/52/609558852.db2.gz LXSTVJYOSHPBCQ-LLVKDONJSA-N -1 3 365.224 3.022 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)ccc1OCCCc1ccccc1OC ZINC000825609665 609582943 /nfs/dbraw/zinc/58/29/43/609582943.db2.gz QCZXNUNPKYAVOU-UHFFFAOYSA-N -1 3 354.410 3.286 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)ccc1OCCCc1ccccc1OC ZINC000825609665 609582946 /nfs/dbraw/zinc/58/29/46/609582946.db2.gz QCZXNUNPKYAVOU-UHFFFAOYSA-N -1 3 354.410 3.286 20 0 FGADHM O=C(Nc1nc(Cc2ccccc2)cs1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826459842 609585412 /nfs/dbraw/zinc/58/54/12/609585412.db2.gz BMEFXVPFWYOAIZ-UHFFFAOYSA-N -1 3 362.418 3.166 20 0 FGADHM O=C(Nc1nc(Cc2ccccc2)cs1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826459842 609585414 /nfs/dbraw/zinc/58/54/14/609585414.db2.gz BMEFXVPFWYOAIZ-UHFFFAOYSA-N -1 3 362.418 3.166 20 0 FGADHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1N1CCC([C@@H]2CCOC2)CC1 ZINC000826368071 609591399 /nfs/dbraw/zinc/59/13/99/609591399.db2.gz APNDSLMHWUCFIV-CYBMUJFWSA-N -1 3 367.375 3.138 20 0 FGADHM CS[C@H](CNC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1)C(C)(C)C ZINC000826225689 609609435 /nfs/dbraw/zinc/60/94/35/609609435.db2.gz IMPVZOMADWZBOT-BXUZGUMPSA-N -1 3 362.503 3.005 20 0 FGADHM CS[C@H](CNC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1)C(C)(C)C ZINC000826225689 609609436 /nfs/dbraw/zinc/60/94/36/609609436.db2.gz IMPVZOMADWZBOT-BXUZGUMPSA-N -1 3 362.503 3.005 20 0 FGADHM CCOc1ccc(CC(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)cc1 ZINC000825638653 609618725 /nfs/dbraw/zinc/61/87/25/609618725.db2.gz NAVXYMIQNYBMMO-UHFFFAOYSA-N -1 3 372.812 3.205 20 0 FGADHM CCOc1ccc(CC(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)cc1 ZINC000825638653 609618726 /nfs/dbraw/zinc/61/87/26/609618726.db2.gz NAVXYMIQNYBMMO-UHFFFAOYSA-N -1 3 372.812 3.205 20 0 FGADHM Cc1cc(SC[C@H]2CCCO2)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000826272555 609642290 /nfs/dbraw/zinc/64/22/90/609642290.db2.gz PQRLNMZLJBKYNK-GFCCVEGCSA-N -1 3 366.450 3.247 20 0 FGADHM Cc1cc(SC[C@H]2CCCO2)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC000826272555 609642292 /nfs/dbraw/zinc/64/22/92/609642292.db2.gz PQRLNMZLJBKYNK-GFCCVEGCSA-N -1 3 366.450 3.247 20 0 FGADHM C[C@@H]1CCN(C(=O)COC(=O)c2ccc([O-])cc2)c2ccccc2S1 ZINC000005060794 695545585 /nfs/dbraw/zinc/54/55/85/695545585.db2.gz JBQDGNXWGARAMB-CYBMUJFWSA-N -1 3 357.431 3.467 20 0 FGADHM O=C(COC(=O)Cc1ccc(Cl)cc1Cl)[N-]C(=O)c1cccs1 ZINC000007129447 695563332 /nfs/dbraw/zinc/56/33/32/695563332.db2.gz RTCXFUJQRBRZLW-UHFFFAOYSA-N -1 3 372.229 3.097 20 0 FGADHM CCCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)cc1 ZINC000007325380 695566755 /nfs/dbraw/zinc/56/67/55/695566755.db2.gz QNTGTNIDDOZDIC-UHFFFAOYSA-N -1 3 358.463 3.349 20 0 FGADHM O=C([N-]NC(=O)c1ccc2c(c1)CCC2)c1ccccc1Br ZINC000017358867 695633763 /nfs/dbraw/zinc/63/37/63/695633763.db2.gz ZPEZVTMRVMFNCR-UHFFFAOYSA-N -1 3 359.223 3.013 20 0 FGADHM CS(=O)(=O)c1ccc(F)c([N-]C(=O)c2nc(Cl)ccc2Cl)c1 ZINC000021832914 695648272 /nfs/dbraw/zinc/64/82/72/695648272.db2.gz HQVFCGYUHOSVTQ-UHFFFAOYSA-N -1 3 363.197 3.183 20 0 FGADHM Cc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)cc1 ZINC000029736818 695715873 /nfs/dbraw/zinc/71/58/73/695715873.db2.gz HVOWKSQQIUTUAY-UHFFFAOYSA-N -1 3 364.442 3.463 20 0 FGADHM COc1ccc(Br)c2[nH]c(C(=O)Nc3ncccc3[O-])cc21 ZINC000030516429 695724423 /nfs/dbraw/zinc/72/44/23/695724423.db2.gz MEPMRZYNUMTVOQ-UHFFFAOYSA-N -1 3 362.183 3.292 20 0 FGADHM COc1ccc(-c2cc(CSc3nc4nncc-4c(O)[n-]3)on2)cc1 ZINC000031610722 695737611 /nfs/dbraw/zinc/73/76/11/695737611.db2.gz UFQJUZINUARJOR-UHFFFAOYSA-N -1 3 355.379 3.014 20 0 FGADHM CC(C)CCOC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000031681124 695738072 /nfs/dbraw/zinc/73/80/72/695738072.db2.gz OCZKSVTWJUXKLC-UHFFFAOYSA-N -1 3 368.282 3.251 20 0 FGADHM O=S(=O)([N-]c1ccc2c(c1)OCCCO2)c1ccc(CCCl)cc1 ZINC000042777438 695785108 /nfs/dbraw/zinc/78/51/08/695785108.db2.gz DAOSDCPEHUTNPA-UHFFFAOYSA-N -1 3 367.854 3.430 20 0 FGADHM CC[C@@H](C(=O)[O-])N(C)CC(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000044620202 695810224 /nfs/dbraw/zinc/81/02/24/695810224.db2.gz 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COc1ccc(-c2csc([N-]C(=O)c3nonc3C)n2)cc1Cl ZINC000733874257 722501738 /nfs/dbraw/zinc/50/17/38/722501738.db2.gz YMPFWTXIHVOYMN-UHFFFAOYSA-N -1 3 350.787 3.416 20 0 FGADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]CCCc1ccc(C(C)C)cc1 ZINC000735083451 722512494 /nfs/dbraw/zinc/51/24/94/722512494.db2.gz VJKIZZZCPLNWQP-UHFFFAOYSA-N -1 3 369.918 3.416 20 0 FGADHM C[C@H](CCC(C)(C)C)NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000736052662 722521577 /nfs/dbraw/zinc/52/15/77/722521577.db2.gz KXRUBMGIBSWDGJ-GFCCVEGCSA-N -1 3 370.490 3.211 20 0 FGADHM C[C@H](Nc1c(-c2nnn[n-]2)cnc2c(F)ccc(F)c21)c1cccs1 ZINC000736139957 722522029 /nfs/dbraw/zinc/52/20/29/722522029.db2.gz SGMRMVAEHCNBHO-QMMMGPOBSA-N -1 3 358.377 3.350 20 0 FGADHM C[C@H](Nc1c(-c2nn[n-]n2)cnc2c(F)ccc(F)c21)c1cccs1 ZINC000736139957 722522030 /nfs/dbraw/zinc/52/20/30/722522030.db2.gz SGMRMVAEHCNBHO-QMMMGPOBSA-N -1 3 358.377 3.350 20 0 FGADHM C[C@H](Sc1ccccc1-c1nnn[n-]1)c1nc2ccccc2c(=O)[nH]1 ZINC000736194011 722522134 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O=S(=O)([N-]CC1(Sc2ccccc2)CC1)c1cccnc1Cl ZINC000738376805 722530131 /nfs/dbraw/zinc/53/01/31/722530131.db2.gz DCMOWUNCZKCBPO-UHFFFAOYSA-N -1 3 354.884 3.338 20 0 FGADHM C[C@H](C[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)Oc1ccccc1 ZINC000738377361 722530150 /nfs/dbraw/zinc/53/01/50/722530150.db2.gz TWGJAXUDTJPHBU-SNVBAGLBSA-N -1 3 361.250 3.134 20 0 FGADHM CC[C@H]1CCC[C@H](NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)C1 ZINC000740797282 722537914 /nfs/dbraw/zinc/53/79/14/722537914.db2.gz KLEMJAFKHKDKGY-ZFWWWQNUSA-N -1 3 370.490 3.211 20 0 FGADHM COc1ccc([C@@H](C)CC[N-]S(=O)(=O)c2cccnc2Cl)cc1 ZINC000742306317 722554874 /nfs/dbraw/zinc/55/48/74/722554874.db2.gz BXZFDSACANAYCH-LBPRGKRZSA-N -1 3 354.859 3.216 20 0 FGADHM O=C(Nc1ccc(F)c(Br)c1)c1nnc2ccccc2c1[O-] ZINC000742901744 722561157 /nfs/dbraw/zinc/56/11/57/722561157.db2.gz FVCOERYMFPYWEJ-UHFFFAOYSA-N -1 3 362.158 3.489 20 0 FGADHM Cc1noc(C(F)(F)F)c1C(=O)[N-]c1cc2c(cc1F)CCC(=O)N2 ZINC000746122364 722593478 /nfs/dbraw/zinc/59/34/78/722593478.db2.gz 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359.344 3.273 20 0 FGADHM CCOc1ccccc1NC(=O)COC(=O)c1cc(F)cc(Cl)c1[O-] ZINC000751730090 722824027 /nfs/dbraw/zinc/82/40/27/722824027.db2.gz GHGAKJWZMXFWKU-UHFFFAOYSA-N -1 3 367.760 3.379 20 0 FGADHM CCOc1ccccc1C(F)(F)C(=O)[N-][C@@H](C)COCC(F)(F)F ZINC000753512017 722902489 /nfs/dbraw/zinc/90/24/89/722902489.db2.gz XAXPEHNLFSVTMU-JTQLQIEISA-N -1 3 355.303 3.261 20 0 FGADHM CCCCn1c(=O)c2ccccc2nc1SCc1nc(C)cc(=O)[n-]1 ZINC000754459129 722939314 /nfs/dbraw/zinc/93/93/14/722939314.db2.gz WUGKSQOYCZWLQC-UHFFFAOYSA-N -1 3 356.451 3.293 20 0 FGADHM CCC(CC)OC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000754796146 722945920 /nfs/dbraw/zinc/94/59/20/722945920.db2.gz CWPPFQXDSXNHRZ-UHFFFAOYSA-N -1 3 354.403 3.300 20 0 FGADHM COC(=O)c1ccc(C[N-]C(=O)C(F)(F)c2c(F)cccc2F)cc1 ZINC000756846452 722970707 /nfs/dbraw/zinc/97/07/07/722970707.db2.gz PBTIZEDZUBAAOT-UHFFFAOYSA-N -1 3 355.287 3.160 20 0 FGADHM O=C(NCc1ccc([O-])c(Br)c1)C(F)(F)c1nccs1 ZINC000756884104 722971291 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CCC[C@@H](C)c1noc(-c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)n1 ZINC000761841631 723189640 /nfs/dbraw/zinc/18/96/40/723189640.db2.gz GNAMLGZXKKBJAL-LLVKDONJSA-N -1 3 355.435 3.466 20 0 FGADHM O=C(c1nnc2ccccc2c1[O-])N(CCC(F)(F)F)CC(F)(F)F ZINC000791157334 723215057 /nfs/dbraw/zinc/21/50/57/723215057.db2.gz WUADBVZVKQLWIU-UHFFFAOYSA-N -1 3 367.249 3.292 20 0 FGADHM O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1cc2sccc2c([O-])c1 ZINC000791359023 723234244 /nfs/dbraw/zinc/23/42/44/723234244.db2.gz JVTUZOHWONHCGB-OAHLLOKOSA-N -1 3 352.415 3.142 20 0 FGADHM O=S(=O)([N-][C@@H]1CC[C@H]2SCCS[C@H]12)c1cc(F)ccc1Cl ZINC000762526124 723251269 /nfs/dbraw/zinc/25/12/69/723251269.db2.gz QXYMEVYEYMVFIQ-NQBHXWOUSA-N -1 3 367.920 3.137 20 0 FGADHM Cc1nnc(SCCC[N-]C(=O)C(F)(F)F)n1-c1ccccc1C ZINC000762757020 723276716 /nfs/dbraw/zinc/27/67/16/723276716.db2.gz OVYXQEVCYPPVLM-UHFFFAOYSA-N -1 3 358.389 3.045 20 0 FGADHM Cc1cc(=O)[n-]c(CSCCC(=O)NCc2ccccc2Cl)n1 ZINC000763212391 723322754 /nfs/dbraw/zinc/32/27/54/723322754.db2.gz KRZUHJDABDLFBC-UHFFFAOYSA-N -1 3 351.859 3.084 20 0 FGADHM CCc1ncc(S(=O)(=O)[N-]C[C@@H](O)c2ccc(C(C)(C)C)cc2)s1 ZINC000763578731 723352141 /nfs/dbraw/zinc/35/21/41/723352141.db2.gz OIQNXUZEGPNAAK-CQSZACIVSA-N -1 3 368.524 3.015 20 0 FGADHM CCOC(=O)c1ncc(NC(=O)[C@H](C)Sc2ccc(Cl)cc2)[n-]1 ZINC000793957960 723478644 /nfs/dbraw/zinc/47/86/44/723478644.db2.gz COINVUDIMMWDIL-VIFPVBQESA-N -1 3 353.831 3.359 20 0 FGADHM CCOC(=O)c1nc(NC(=O)[C@H](C)Sc2ccc(Cl)cc2)c[n-]1 ZINC000793957960 723478646 /nfs/dbraw/zinc/47/86/46/723478646.db2.gz COINVUDIMMWDIL-VIFPVBQESA-N -1 3 353.831 3.359 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(F)c([C@@H](C)O)c2)c(C)c1C ZINC000795382379 723587041 /nfs/dbraw/zinc/58/70/41/723587041.db2.gz TUBXEFRFLQJALQ-GFCCVEGCSA-N -1 3 353.415 3.305 20 0 FGADHM C[C@@H](CO[N-]C(=O)CCSc1ccc(F)cc1)NC(=O)OC(C)(C)C ZINC000767175901 723609720 /nfs/dbraw/zinc/60/97/20/723609720.db2.gz CWGRRQYFSYXPOV-LBPRGKRZSA-N -1 3 372.462 3.269 20 0 FGADHM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCCC(F)(F)C2)c1 ZINC000767855695 723637124 /nfs/dbraw/zinc/63/71/24/723637124.db2.gz YZLVLGOKKCHIRS-LLVKDONJSA-N -1 3 351.802 3.399 20 0 FGADHM O=S(=O)([N-]CCCc1cccs1)c1ccc(Cl)nc1Cl ZINC000769671172 723691763 /nfs/dbraw/zinc/69/17/63/723691763.db2.gz HMZDBNPPAAPPAC-UHFFFAOYSA-N -1 3 351.280 3.361 20 0 FGADHM O=C(OC[C@H]1CN(c2ccccc2)C(=O)O1)c1cc(F)cc(Cl)c1[O-] ZINC000772167295 723752849 /nfs/dbraw/zinc/75/28/49/723752849.db2.gz WGEVDMGYWFRUCD-GFCCVEGCSA-N -1 3 365.744 3.367 20 0 FGADHM CCOC(=O)c1ccc(NC(=O)C[C@@H](O)c2ccc(Cl)cc2)c([O-])c1 ZINC000772845508 723769855 /nfs/dbraw/zinc/76/98/55/723769855.db2.gz KRNUYZGNRNYRNL-OAHLLOKOSA-N -1 3 363.797 3.285 20 0 FGADHM O=C1[N-]C(=O)C(=CN[C@@H]2C[C@H]2c2ccc(Cl)c(F)c2)c2ccccc21 ZINC000797785732 723861015 /nfs/dbraw/zinc/86/10/15/723861015.db2.gz RRBXFGVEHUTRCS-SMYWBZJBSA-N -1 3 356.784 3.236 20 0 FGADHM COC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(OC)cc2C)c1C ZINC000797817377 723865735 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CC(C)[C@H](OC(=O)c1cccc(Cl)c1[O-])C(=O)NCc1ccco1 ZINC000775931436 724085129 /nfs/dbraw/zinc/08/51/29/724085129.db2.gz XIKMLEMKHQQUMG-HNNXBMFYSA-N -1 3 351.786 3.136 20 0 FGADHM CC(=O)c1ccc(NC(=O)[C@H](C)OC(=O)c2cccc(Cl)c2[O-])cc1 ZINC000775934594 724086341 /nfs/dbraw/zinc/08/63/41/724086341.db2.gz ACULYHIOHSPCDD-NSHDSACASA-N -1 3 361.781 3.432 20 0 FGADHM O=C(OCc1ccc(Cl)nc1C(F)(F)F)c1cccc2nn[n-]c21 ZINC000800205647 724166399 /nfs/dbraw/zinc/16/63/99/724166399.db2.gz LWKRGDKVMUUWJN-UHFFFAOYSA-N -1 3 356.691 3.382 20 0 FGADHM O=C(OCc1ccc(Cl)nc1C(F)(F)F)c1cccc2[n-]nnc21 ZINC000800205647 724166401 /nfs/dbraw/zinc/16/64/01/724166401.db2.gz LWKRGDKVMUUWJN-UHFFFAOYSA-N -1 3 356.691 3.382 20 0 FGADHM O=C(OCc1ccc(Cl)nc1C(F)(F)F)c1cccc2n[n-]nc21 ZINC000800205647 724166403 /nfs/dbraw/zinc/16/64/03/724166403.db2.gz LWKRGDKVMUUWJN-UHFFFAOYSA-N -1 3 356.691 3.382 20 0 FGADHM O=C(OCc1ccc(F)cc1Br)c1cc(F)cc2[n-]nnc21 ZINC000800263004 724172404 /nfs/dbraw/zinc/17/24/04/724172404.db2.gz RMHVZTPXYJKNGF-UHFFFAOYSA-N -1 3 368.137 3.356 20 0 FGADHM O=C(OCc1ccc(F)cc1Br)c1cc(F)cc2nn[n-]c21 ZINC000800263004 724172406 /nfs/dbraw/zinc/17/24/06/724172406.db2.gz RMHVZTPXYJKNGF-UHFFFAOYSA-N -1 3 368.137 3.356 20 0 FGADHM O=C(OCc1ccc(F)cc1Br)c1cc(F)cc2n[n-]nc21 ZINC000800263004 724172407 /nfs/dbraw/zinc/17/24/07/724172407.db2.gz RMHVZTPXYJKNGF-UHFFFAOYSA-N -1 3 368.137 3.356 20 0 FGADHM O=C(NCCSCc1ccnc(Cl)c1)c1cc(=O)c2ccccc2[n-]1 ZINC000777453273 724228426 /nfs/dbraw/zinc/22/84/26/724228426.db2.gz VGRXICYLVATLTM-UHFFFAOYSA-N -1 3 373.865 3.240 20 0 FGADHM COC(=O)c1cc(C)nc2nc(SCCSC(C)(C)C)[n-]c(=O)c12 ZINC000801658201 724322545 /nfs/dbraw/zinc/32/25/45/724322545.db2.gz WTYLMBDEGUFKSQ-UHFFFAOYSA-N -1 3 367.496 3.449 20 0 FGADHM COc1nnc(NC(=O)Cc2csc(-c3ccc(C(C)C)cc3)n2)[n-]1 ZINC000778954841 724376147 /nfs/dbraw/zinc/37/61/47/724376147.db2.gz AKQDQOGUDYGWPZ-UHFFFAOYSA-N -1 3 357.439 3.241 20 0 FGADHM COc1nc(NC(=O)Cc2csc(-c3ccc(C(C)C)cc3)n2)n[n-]1 ZINC000778954841 724376148 /nfs/dbraw/zinc/37/61/48/724376148.db2.gz AKQDQOGUDYGWPZ-UHFFFAOYSA-N -1 3 357.439 3.241 20 0 FGADHM COc1n[n-]c(NC(=O)Cc2csc(-c3ccc(C(C)C)cc3)n2)n1 ZINC000778954841 724376149 /nfs/dbraw/zinc/37/61/49/724376149.db2.gz AKQDQOGUDYGWPZ-UHFFFAOYSA-N -1 3 357.439 3.241 20 0 FGADHM C/C=C\C[C@H]([N-]S(=O)(=O)/C=C\c1ccccc1Cl)C(=O)OCC ZINC000784707160 724873625 /nfs/dbraw/zinc/87/36/25/724873625.db2.gz IVEFCEIEAJWIMK-YFHFDXDYSA-N -1 3 357.859 3.128 20 0 FGADHM CC(C)([N-]S(=O)(=O)c1csc(-c2ccccc2)n1)C1CCOCC1 ZINC000785395531 724910570 /nfs/dbraw/zinc/91/05/70/724910570.db2.gz ASBVURJSWCLAGZ-UHFFFAOYSA-N -1 3 366.508 3.294 20 0 FGADHM O=C(COC(=O)c1cc2occc2[n-]1)Cc1ccccc1Br ZINC000786029497 724954932 /nfs/dbraw/zinc/95/49/32/724954932.db2.gz DUMGJCVRUADJBJ-UHFFFAOYSA-N -1 3 362.179 3.492 20 0 FGADHM Cc1cccc(CNC(=O)COC(=O)c2cc3sccc3c([O-])c2)c1 ZINC000786138574 724962206 /nfs/dbraw/zinc/96/22/06/724962206.db2.gz VVBYZSRPYKPIPH-UHFFFAOYSA-N -1 3 355.415 3.389 20 0 FGADHM CCc1ccc(C(=O)NC[C@H](O)c2cccc(C(F)(F)F)c2)c([O-])c1 ZINC000787123883 725017088 /nfs/dbraw/zinc/01/70/88/725017088.db2.gz ZREFFTQCBYMCEV-INIZCTEOSA-N -1 3 353.340 3.437 20 0 FGADHM CC(=O)Nc1nc(COC(=O)CCCc2ccc([O-])c(F)c2)cs1 ZINC000787841922 725039359 /nfs/dbraw/zinc/03/93/59/725039359.db2.gz CDHOAMQZIKINII-UHFFFAOYSA-N -1 3 352.387 3.012 20 0 FGADHM C[C@@H]1CCC[C@@H](C)N1C(=O)COC(=O)CCCc1ccc([O-])c(F)c1 ZINC000787844700 725039434 /nfs/dbraw/zinc/03/94/34/725039434.db2.gz LRZXQJCYDPQPCU-ZIAGYGMSSA-N -1 3 351.418 3.187 20 0 FGADHM CC(C)[C@H](OC(=O)CCCc1ccc([O-])c(F)c1)C(=O)N1CCCC1 ZINC000787850845 725039604 /nfs/dbraw/zinc/03/96/04/725039604.db2.gz UMXOZODWWFBEOM-SFHVURJKSA-N -1 3 351.418 3.044 20 0 FGADHM Cc1nc(C)c(CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)o1 ZINC000788097388 725044107 /nfs/dbraw/zinc/04/41/07/725044107.db2.gz JLLYEZHAESLGGQ-UHFFFAOYSA-N -1 3 353.407 3.418 20 0 FGADHM CC[C@](C)([N-]S(=O)(=O)c1cnc(Cl)c(F)c1)c1nc(C)cs1 ZINC000805016242 725044247 /nfs/dbraw/zinc/04/42/47/725044247.db2.gz KZRFZABJHMETCY-ZDUSSCGKSA-N -1 3 363.867 3.243 20 0 FGADHM CCC(CC)[C@H]1C[C@@H]([N-]S(=O)(=O)c2cnc(Cl)c(F)c2)CCO1 ZINC000805057220 725047095 /nfs/dbraw/zinc/04/70/95/725047095.db2.gz QMMWUFGXXIZLIJ-SMDDNHRTSA-N -1 3 364.870 3.136 20 0 FGADHM O=S(=O)([N-]Cc1ccc(C(F)F)cc1)c1cnc(Cl)c(F)c1 ZINC000805063722 725047538 /nfs/dbraw/zinc/04/75/38/725047538.db2.gz WESOFZWQOGOXFH-UHFFFAOYSA-N -1 3 350.749 3.290 20 0 FGADHM CC(C)(C)OC1CC(CC[N-]S(=O)(=O)c2cnc(Cl)c(F)c2)C1 ZINC000805077729 725048535 /nfs/dbraw/zinc/04/85/35/725048535.db2.gz HRSILOVYSXHQJL-UHFFFAOYSA-N -1 3 364.870 3.136 20 0 FGADHM CC(C)(C)OC(=O)N1CCC[C@H]1CNC(=O)c1cc([O-])ccc1Cl ZINC000788300929 725056264 /nfs/dbraw/zinc/05/62/64/725056264.db2.gz FBBGZJFJACIIBJ-NSHDSACASA-N -1 3 354.834 3.175 20 0 FGADHM COC(=O)c1sc(S(=O)(=O)[N-]C23CCC(CC2)C3)c(C)c1Cl ZINC000788664383 725079515 /nfs/dbraw/zinc/07/95/15/725079515.db2.gz JELWCYFPOFPGFO-UHFFFAOYSA-N -1 3 363.888 3.108 20 0 FGADHM CCC(C)(C)C[N-]S(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C ZINC000788683743 725081042 /nfs/dbraw/zinc/08/10/42/725081042.db2.gz VBSIHEAWPNYHQL-UHFFFAOYSA-N -1 3 353.893 3.211 20 0 FGADHM CCOC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(OC)c2F)c1 ZINC000788753508 725086066 /nfs/dbraw/zinc/08/60/66/725086066.db2.gz MPHRHWWBGRRJEX-UHFFFAOYSA-N -1 3 367.398 3.120 20 0 FGADHM CCC[C@@H](C(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C)C(C)C ZINC000807708018 725166526 /nfs/dbraw/zinc/16/65/26/725166526.db2.gz JTYXEJCPAZRSKM-FQUUOJAGSA-N -1 3 350.425 3.363 20 0 FGADHM O=S(=O)([N-]c1ccc(-n2nccn2)cc1)c1ccc(C(F)F)cc1 ZINC000808077410 725182376 /nfs/dbraw/zinc/18/23/76/725182376.db2.gz QFBLLTAKIKIQFY-UHFFFAOYSA-N -1 3 350.350 3.006 20 0 FGADHM Cc1nn(C(C)C)cc1CN1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000809769784 725267052 /nfs/dbraw/zinc/26/70/52/725267052.db2.gz SVPSOQIIYRIRLD-WHOFXGATSA-N -1 3 360.424 3.050 20 0 FGADHM Cc1cccc([C@@H](C)C(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)c1 ZINC000810905328 725333695 /nfs/dbraw/zinc/33/36/95/725333695.db2.gz PUWKSVXPWCQVLR-KGLIPLIRSA-N -1 3 356.388 3.016 20 0 FGADHM CC(C)Oc1ccc([N-]S(=O)(=O)CC(=O)O[C@H]2CCCC[C@@H]2F)cc1 ZINC000811055579 725342117 /nfs/dbraw/zinc/34/21/17/725342117.db2.gz DECPXQGKMGYWOZ-HOTGVXAUSA-N -1 3 373.446 3.039 20 0 FGADHM COC(=O)C(C)(C)C(=O)[C@H](C)OC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000811394350 725361510 /nfs/dbraw/zinc/36/15/10/725361510.db2.gz BHPNEBSAHKMDFF-ZETCQYMHSA-N -1 3 357.815 3.196 20 0 FGADHM CC1(C)CCCC[C@@H]1NC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000811894403 725384194 /nfs/dbraw/zinc/38/41/94/725384194.db2.gz SKINIZJWPAZKRV-OLZOCXBDSA-N -1 3 363.424 3.055 20 0 FGADHM CCCn1cc([N-]S(=O)(=O)CCc2ccccc2Br)cn1 ZINC000812270567 725392024 /nfs/dbraw/zinc/39/20/24/725392024.db2.gz JUKKOOXXKBQYMO-UHFFFAOYSA-N -1 3 372.288 3.040 20 0 FGADHM O=C([N-]OC/C=C/Cl)[C@@H]1CCCN(c2ncccc2C(F)(F)F)C1 ZINC000812408502 725396296 /nfs/dbraw/zinc/39/62/96/725396296.db2.gz UKZWRTPKVJXHKL-ZXCPCRMDSA-N -1 3 363.767 3.117 20 0 FGADHM CS(=O)(=O)[N-]c1cc(C(=O)OC[C@@H]2C[C@H]2c2ccccc2)ccc1F ZINC000812581466 725400350 /nfs/dbraw/zinc/40/03/50/725400350.db2.gz DLHZWJBLZUOWFV-GJZGRUSLSA-N -1 3 363.410 3.158 20 0 FGADHM CC(C)OCCO[N-]C(=O)CCCc1nc(-c2ccc(Cl)cc2)no1 ZINC000812806072 726813982 /nfs/dbraw/zinc/81/39/82/726813982.db2.gz MVSPQHLUGSSDIR-UHFFFAOYSA-N -1 3 367.833 3.186 20 0 FGADHM COC(=O)c1cc(C(=O)OCc2csc(-c3ccccc3F)n2)c[n-]1 ZINC000814531173 726978293 /nfs/dbraw/zinc/97/82/93/726978293.db2.gz AWXZZVBUJPYTTC-UHFFFAOYSA-N -1 3 360.366 3.421 20 0 FGADHM COC(=O)c1cc(C(=O)OCc2coc(-c3cccc(Cl)c3)n2)c[n-]1 ZINC000814532333 726978809 /nfs/dbraw/zinc/97/88/09/726978809.db2.gz SVTJQHACHXRCFS-UHFFFAOYSA-N -1 3 360.753 3.467 20 0 FGADHM COc1cccc2c(C(=O)OCc3ccnc(Br)c3)n[n-]c21 ZINC000815248236 727057233 /nfs/dbraw/zinc/05/72/33/727057233.db2.gz URSATYLZYZTXCO-UHFFFAOYSA-N -1 3 362.183 3.086 20 0 FGADHM COc1cccc2c1n[n-]c2C(=O)OCc1ccnc(Br)c1 ZINC000815248236 727057236 /nfs/dbraw/zinc/05/72/36/727057236.db2.gz URSATYLZYZTXCO-UHFFFAOYSA-N -1 3 362.183 3.086 20 0 FGADHM CCCNC(=O)OC[C@@H]1CCCCN1C(=O)c1cc([O-])ccc1Cl ZINC000816663319 727187209 /nfs/dbraw/zinc/18/72/09/727187209.db2.gz QVTLPNZHHSFGAT-LBPRGKRZSA-N -1 3 354.834 3.177 20 0 FGADHM CC1(C2CCN(C(=O)c3cc([O-])cc(C(F)(F)F)c3)CC2)OCCO1 ZINC000816945484 727208762 /nfs/dbraw/zinc/20/87/62/727208762.db2.gz HNBPBRYQFFXGFU-UHFFFAOYSA-N -1 3 359.344 3.026 20 0 FGADHM CC[C@H](CS(=O)(=O)[N-]c1cccc(NC(=O)OCC(C)C)c1)OC ZINC000817355680 727242835 /nfs/dbraw/zinc/24/28/35/727242835.db2.gz SJMHYOGTUAHCRZ-OAHLLOKOSA-N -1 3 358.460 3.058 20 0 FGADHM O=C(CCC(=O)Nc1nnc(C2CCCCC2)s1)[N-]OCCC1CC1 ZINC000817412960 727248677 /nfs/dbraw/zinc/24/86/77/727248677.db2.gz JRHSSBWEJYQOGC-UHFFFAOYSA-N -1 3 366.487 3.152 20 0 FGADHM COc1ccc(NCc2c(F)cc(C)cc2F)cc1[N-]S(C)(=O)=O ZINC000818195229 727301032 /nfs/dbraw/zinc/30/10/32/727301032.db2.gz WZUZSBVZCCVXHD-UHFFFAOYSA-N -1 3 356.394 3.265 20 0 FGADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)C(F)=C1CCC1 ZINC000819246588 727361144 /nfs/dbraw/zinc/36/11/44/727361144.db2.gz CBKOSCRVOMAZQH-UHFFFAOYSA-N -1 3 366.336 3.423 20 0 FGADHM COC(=O)CCCO[N-]C(=O)C1(Cc2cccc(Cl)c2)CCCC1 ZINC000819939457 728955457 /nfs/dbraw/zinc/95/54/57/728955457.db2.gz NUDKJBZMXLNOMF-UHFFFAOYSA-N -1 3 353.846 3.444 20 0 FGADHM COc1ccc(Cl)cc1C(F)(F)C(=O)[N-]Cc1nnc(C2CC2)s1 ZINC000822816216 729222537 /nfs/dbraw/zinc/22/25/37/729222537.db2.gz SMBHRCMBNHKQKL-UHFFFAOYSA-N -1 3 373.812 3.486 20 0 FGADHM COc1cc(-c2noc([C@H]3CCCCN3)n2)cc(Br)c1[O-] ZINC000823075704 729250048 /nfs/dbraw/zinc/25/00/48/729250048.db2.gz USBVMTIWSOSAHR-SNVBAGLBSA-N -1 3 354.204 3.028 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)O[C@H](C1CCCC1)C(F)(F)F ZINC000823108679 729252906 /nfs/dbraw/zinc/25/29/06/729252906.db2.gz PHONPSSHSJCHDW-CQSZACIVSA-N -1 3 354.332 3.074 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)O[C@H](C1CCCC1)C(F)(F)F ZINC000823108679 729252908 /nfs/dbraw/zinc/25/29/08/729252908.db2.gz PHONPSSHSJCHDW-CQSZACIVSA-N -1 3 354.332 3.074 20 0 FGADHM C[C@H](NCc1c(F)c(F)cc(F)c1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000824604819 729349997 /nfs/dbraw/zinc/34/99/97/729349997.db2.gz DUCCGINLRIGYIT-QMMMGPOBSA-N -1 3 351.307 3.274 20 0 FGADHM C[C@H](NCc1c(F)c(F)cc(F)c1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000824604819 729349999 /nfs/dbraw/zinc/34/99/99/729349999.db2.gz DUCCGINLRIGYIT-QMMMGPOBSA-N -1 3 351.307 3.274 20 0 FGADHM CC(C)(C)OC(=O)NCC[C@H](NCc1c(F)ccc([O-])c1F)C(F)F ZINC000824677169 729354647 /nfs/dbraw/zinc/35/46/47/729354647.db2.gz ANJVEOHRDQMZCZ-NSHDSACASA-N -1 3 366.355 3.309 20 0 FGADHM CCOc1cc(Cl)ccc1C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000825615785 729389522 /nfs/dbraw/zinc/38/95/22/729389522.db2.gz KRHCYFLCLKEDKN-UHFFFAOYSA-N -1 3 357.801 3.480 20 0 FGADHM CCOc1cc(Cl)ccc1C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000825615785 729389523 /nfs/dbraw/zinc/38/95/23/729389523.db2.gz KRHCYFLCLKEDKN-UHFFFAOYSA-N -1 3 357.801 3.480 20 0 FGADHM CCS[C@@H]1CCC[C@H](NC(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)C1 ZINC000825669349 729390884 /nfs/dbraw/zinc/39/08/84/729390884.db2.gz VUMFYFXEFKQEBS-NWDGAFQWSA-N -1 3 365.890 3.314 20 0 FGADHM CCS[C@@H]1CCC[C@H](NC(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)C1 ZINC000825669349 729390887 /nfs/dbraw/zinc/39/08/87/729390887.db2.gz VUMFYFXEFKQEBS-NWDGAFQWSA-N -1 3 365.890 3.314 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1CNc1cc(C)c(Cl)cc1OC ZINC000826170881 729406124 /nfs/dbraw/zinc/40/61/24/729406124.db2.gz SNJQHWHNPIBMSV-UHFFFAOYSA-N -1 3 359.817 3.458 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1CNc1cc(C)c(Cl)cc1OC ZINC000826170881 729406126 /nfs/dbraw/zinc/40/61/26/729406126.db2.gz SNJQHWHNPIBMSV-UHFFFAOYSA-N -1 3 359.817 3.458 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)CCCc1ccsc1 ZINC000826171410 729406163 /nfs/dbraw/zinc/40/61/63/729406163.db2.gz MQWRUUXLRULMPN-UHFFFAOYSA-N -1 3 358.423 3.003 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)CCCc1ccsc1 ZINC000826171410 729406165 /nfs/dbraw/zinc/40/61/65/729406165.db2.gz MQWRUUXLRULMPN-UHFFFAOYSA-N -1 3 358.423 3.003 20 0 FGADHM Cc1ccc(C(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)c(Cl)c1C ZINC000826281260 729406877 /nfs/dbraw/zinc/40/68/77/729406877.db2.gz KZKOYIOWQVHTTE-UHFFFAOYSA-N -1 3 355.829 3.409 20 0 FGADHM Cc1ccc(C(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1C ZINC000826281260 729406878 /nfs/dbraw/zinc/40/68/78/729406878.db2.gz KZKOYIOWQVHTTE-UHFFFAOYSA-N -1 3 355.829 3.409 20 0 FGADHM FC(F)(F)C1=CCN(c2ccc(Br)cc2-c2nnn[n-]2)CC1 ZINC000826367432 729407640 /nfs/dbraw/zinc/40/76/40/729407640.db2.gz YRNVJTKSXSHXIF-UHFFFAOYSA-N -1 3 374.164 3.328 20 0 FGADHM FC(F)(F)C1=CCN(c2ccc(Br)cc2-c2nn[n-]n2)CC1 ZINC000826367432 729407642 /nfs/dbraw/zinc/40/76/42/729407642.db2.gz YRNVJTKSXSHXIF-UHFFFAOYSA-N -1 3 374.164 3.328 20 0 FGADHM Cn1c(CSc2cccc(Cl)c2-c2nnn[n-]2)nnc1C1CCC1 ZINC000826355895 729407728 /nfs/dbraw/zinc/40/77/28/729407728.db2.gz RLURQWTVJVZCRE-UHFFFAOYSA-N -1 3 361.862 3.208 20 0 FGADHM Cn1c(CSc2cccc(Cl)c2-c2nn[n-]n2)nnc1C1CCC1 ZINC000826355895 729407730 /nfs/dbraw/zinc/40/77/30/729407730.db2.gz RLURQWTVJVZCRE-UHFFFAOYSA-N -1 3 361.862 3.208 20 0 FGADHM O=C(CSCCCc1ccsc1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000826419948 729408012 /nfs/dbraw/zinc/40/80/12/729408012.db2.gz SHXXRXSSFBPZRT-UHFFFAOYSA-N -1 3 359.480 3.233 20 0 FGADHM O=C(CSCCCc1ccsc1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000826419948 729408013 /nfs/dbraw/zinc/40/80/13/729408013.db2.gz SHXXRXSSFBPZRT-UHFFFAOYSA-N -1 3 359.480 3.233 20 0 FGADHM O=C1Nc2c(cccc2Br)C1=Cc1ccc(-c2nnn[n-]2)cc1 ZINC000826482559 729408325 /nfs/dbraw/zinc/40/83/25/729408325.db2.gz JDKJPYOPQAAYIT-WQLSENKSSA-N -1 3 368.194 3.122 20 0 FGADHM O=C1Nc2c(cccc2Br)C1=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826482559 729408326 /nfs/dbraw/zinc/40/83/26/729408326.db2.gz JDKJPYOPQAAYIT-WQLSENKSSA-N -1 3 368.194 3.122 20 0 FGADHM C[C@H](c1ccccc1Cl)N1CCN(C(=O)c2ccc(N)cc2[O-])CC1 ZINC000826704330 729412907 /nfs/dbraw/zinc/41/29/07/729412907.db2.gz GGQMXDPSONJBCW-CYBMUJFWSA-N -1 3 359.857 3.147 20 0 FGADHM C[C@@]1(C(F)(F)F)CCN(C(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)C1 ZINC000828856688 729448825 /nfs/dbraw/zinc/44/88/25/729448825.db2.gz NYRBBZJMYWGQCC-OAHLLOKOSA-N -1 3 360.282 3.221 20 0 FGADHM CCC(F)(F)c1ccccc1NC(=O)c1cc(S(=O)(=O)[N-]C)oc1C ZINC000828987132 729450740 /nfs/dbraw/zinc/45/07/40/729450740.db2.gz PXRHFOIFIQCDPI-UHFFFAOYSA-N -1 3 372.393 3.250 20 0 FGADHM O=C(CCCc1ccc([O-])c(F)c1)NC[C@@H]1CCC[C@H](C(F)(F)F)O1 ZINC000830699360 729584065 /nfs/dbraw/zinc/58/40/65/729584065.db2.gz BBYWWVNEHVTHMR-SWLSCSKDSA-N -1 3 363.351 3.470 20 0 FGADHM COCCn1ccc2ccc(NC(=O)c3[n-]cnc3C(F)(F)F)cc21 ZINC000831614011 729655114 /nfs/dbraw/zinc/65/51/14/729655114.db2.gz UUMLCNKZCMLSGG-UHFFFAOYSA-N -1 3 352.316 3.282 20 0 FGADHM COCCn1ccc2ccc(NC(=O)c3nc[n-]c3C(F)(F)F)cc21 ZINC000831614011 729655116 /nfs/dbraw/zinc/65/51/16/729655116.db2.gz UUMLCNKZCMLSGG-UHFFFAOYSA-N -1 3 352.316 3.282 20 0 FGADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H](C)c1cccc(C2CC2)c1 ZINC000831675008 729660280 /nfs/dbraw/zinc/66/02/80/729660280.db2.gz STTBVLLNMLGIHQ-SNVBAGLBSA-N -1 3 353.875 3.299 20 0 FGADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@](C)(Cc1ccccc1)C1CC1 ZINC000832744502 729729482 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CC(C)[C@@H](OC(=O)Cc1ccc([O-])c(F)c1)C(=O)N1CCCC[C@H]1C ZINC000838143062 730093422 /nfs/dbraw/zinc/09/34/22/730093422.db2.gz RKIJVKAVLQADMH-FZKQIMNGSA-N -1 3 351.418 3.043 20 0 FGADHM C[C@@H]1CC(C)(C)CN1C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000840532784 730151873 /nfs/dbraw/zinc/15/18/73/730151873.db2.gz NSSBMVTYYDQUCD-GFCCVEGCSA-N -1 3 370.490 3.163 20 0 FGADHM O=C(c1cc2sccc2c([O-])c1)N1CCC[C@@H](N2CCCC2=O)CC1 ZINC000840543231 730152903 /nfs/dbraw/zinc/15/29/03/730152903.db2.gz PAVSVAPEDCXLFP-CQSZACIVSA-N -1 3 358.463 3.224 20 0 FGADHM CC(C)(C[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)c1cccnc1 ZINC000841566959 730257483 /nfs/dbraw/zinc/25/74/83/730257483.db2.gz OPCJTLAEKOKIPR-UHFFFAOYSA-N -1 3 360.266 3.040 20 0 FGADHM COC(=O)CC1([N-]C(=O)C(F)(F)c2cc(Cl)ccc2Cl)CC1 ZINC000844798014 730769018 /nfs/dbraw/zinc/76/90/18/730769018.db2.gz PQBUWOZNTPSQOI-UHFFFAOYSA-N -1 3 352.164 3.297 20 0 FGADHM C[C@H](OC(=O)c1ccc(N)c(Cl)c1[O-])c1nnnn1C1CCCCC1 ZINC000845190944 730817760 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CC[C@@H](NC(=O)NCc1ccc([O-])c(Br)c1)[C@H]1CCCOC1 ZINC000883532115 737576788 /nfs/dbraw/zinc/57/67/88/737576788.db2.gz IOWFUJYROFSMIN-GXTWGEPZSA-N -1 3 371.275 3.159 20 0 FGADHM Cc1nc([C@H]([N-]S(=O)(=O)CCCC2CC2)c2ccc(Cl)cc2)no1 ZINC000885082323 737729612 /nfs/dbraw/zinc/72/96/12/737729612.db2.gz NFSVCGZNKXGWED-OAHLLOKOSA-N -1 3 369.874 3.230 20 0 FGADHM CC(C)[C@@H](C)N(c1ccccc1)S(=O)(=O)c1nc[n-]c1Br ZINC000885513770 739158737 /nfs/dbraw/zinc/15/87/37/739158737.db2.gz FPOPZMZIJYALQE-LLVKDONJSA-N -1 3 372.288 3.412 20 0 FGADHM O=C(N[C@@H]([C@@H]1CCOC1)C(F)(F)F)c1cc([O-])cc(C(F)(F)F)c1 ZINC000885528894 739161406 /nfs/dbraw/zinc/16/14/06/739161406.db2.gz SQYPFEFJQCMNST-HQJQHLMTSA-N -1 3 357.250 3.108 20 0 FGADHM O=C(N[C@H]([C@H]1CCOC1)C(F)(F)F)c1cc([O-])cc(C(F)(F)F)c1 ZINC000885528896 739161498 /nfs/dbraw/zinc/16/14/98/739161498.db2.gz SQYPFEFJQCMNST-WRWORJQWSA-N -1 3 357.250 3.108 20 0 FGADHM Cc1cc(=O)[n-]c(N2CCN([C@@H](C)c3ccc(F)c(Cl)c3)CC2)n1 ZINC000886655094 739279164 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COC(=O)c1cc(-c2csc(NC(=O)c3cc(C)ccc3[O-])n2)c[nH]1 ZINC000029872548 493863415 /nfs/dbraw/zinc/86/34/15/493863415.db2.gz RUDHGIGAZXBCEB-UHFFFAOYSA-N -1 3 357.391 3.191 20 0 FGADHM O=C(Nc1ccc(Cl)c(C(=O)NC2CC2)c1)c1cc(-c2ccco2)[n-]n1 ZINC000058533709 493864024 /nfs/dbraw/zinc/86/40/24/493864024.db2.gz IFAVKRFFTUMJOC-UHFFFAOYSA-N -1 3 370.796 3.468 20 0 FGADHM O=C(Nc1ccc(Cl)c(C(=O)NC2CC2)c1)c1cc(-c2ccco2)n[n-]1 ZINC000058533709 493864028 /nfs/dbraw/zinc/86/40/28/493864028.db2.gz IFAVKRFFTUMJOC-UHFFFAOYSA-N -1 3 370.796 3.468 20 0 FGADHM O=C(CNC(=O)c1cccc([O-])c1)NCc1ccc(C2CCCCC2)cc1 ZINC000571234487 505685451 /nfs/dbraw/zinc/68/54/51/505685451.db2.gz OUSHXJKTKQPXJZ-UHFFFAOYSA-N -1 3 366.461 3.486 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)Cc3ccccc3F)c2)n1 ZINC000049303719 493868798 /nfs/dbraw/zinc/86/87/98/493868798.db2.gz UPDOUOZMOMOXBB-UHFFFAOYSA-N -1 3 351.381 3.320 20 0 FGADHM O=S(=O)([N-]Cc1cn2ccccc2n1)c1ccc(Cl)c(Cl)c1 ZINC000058704206 493877243 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CCCC[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(CNC(C)=O)s1 ZINC000069131391 493927275 /nfs/dbraw/zinc/92/72/75/493927275.db2.gz QKIIWHRCLGMZJC-HIFRSBDPSA-N -1 3 358.529 3.021 20 0 FGADHM CC(=O)NCc1ccc(S(=O)(=O)[N-][C@H]2CCC[C@@H]2CCC(C)C)s1 ZINC000069161997 493930898 /nfs/dbraw/zinc/93/08/98/493930898.db2.gz LWPODQKSZSXNHP-ZBFHGGJFSA-N -1 3 372.556 3.267 20 0 FGADHM Cc1ccc(C(=O)NCc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)c([O-])c1 ZINC000031413555 493943356 /nfs/dbraw/zinc/94/33/56/493943356.db2.gz GUXMGVYCYWXKOZ-IRXDYDNUSA-N -1 3 368.477 3.240 20 0 FGADHM O=S(=O)([N-]C[C@H](c1cccs1)N1CCCC1)c1cc(F)ccc1F ZINC000060567958 493946766 /nfs/dbraw/zinc/94/67/66/493946766.db2.gz PPAZFYPQZLJXPR-CQSZACIVSA-N -1 3 372.462 3.142 20 0 FGADHM COC(=O)c1c(C)nc(=O)[n-]c1SCc1cccc(C(F)(F)F)c1 ZINC000031618260 493952479 /nfs/dbraw/zinc/95/24/79/493952479.db2.gz QOIYLQWINXVNRQ-UHFFFAOYSA-N -1 3 358.341 3.176 20 0 FGADHM CSc1ccc([C@@H](C)NC(=O)c2ccc([N-]S(C)(=O)=O)cc2)cc1 ZINC000031690365 493955974 /nfs/dbraw/zinc/95/59/74/493955974.db2.gz DYNJZVCMCBULBL-GFCCVEGCSA-N -1 3 364.492 3.271 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(CC(=O)NC(C)C)cc2)c(C)c1 ZINC000031722137 493957845 /nfs/dbraw/zinc/95/78/45/493957845.db2.gz UOKZVYDIEYNIEY-UHFFFAOYSA-N -1 3 360.479 3.171 20 0 FGADHM CCc1cccc(C(=O)N[C@@H](C)c2nc(Cc3ccccc3)no2)c1[O-] ZINC000081808868 493958053 /nfs/dbraw/zinc/95/80/53/493958053.db2.gz GUHJCVSMWSBPFR-ZDUSSCGKSA-N -1 3 351.406 3.419 20 0 FGADHM CC[C@@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1Br ZINC000006314673 493958389 /nfs/dbraw/zinc/95/83/89/493958389.db2.gz YMDPCJYUEZMEOI-SSDOTTSWSA-N -1 3 371.094 3.288 20 0 FGADHM CCc1ccc([C@H](C)C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000069378524 493965137 /nfs/dbraw/zinc/96/51/37/493965137.db2.gz QILGPOVINDUCPN-INIZCTEOSA-N -1 3 366.461 3.043 20 0 FGADHM O=C(Nc1ccnn1CCc1ccccc1)c1c[n-]c2ccccc2c1=O ZINC000069423323 493970037 /nfs/dbraw/zinc/97/00/37/493970037.db2.gz WSNCAMXYRLHYOV-UHFFFAOYSA-N -1 3 358.401 3.220 20 0 FGADHM O=C(Nc1ccnn1CCc1ccccc1)c1cnc2ccccc2c1[O-] ZINC000069423323 493970040 /nfs/dbraw/zinc/97/00/40/493970040.db2.gz WSNCAMXYRLHYOV-UHFFFAOYSA-N -1 3 358.401 3.220 20 0 FGADHM CC(C)Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)[C@H](C)O3)cc1 ZINC000032084102 493972667 /nfs/dbraw/zinc/97/26/67/493972667.db2.gz DXJWVGUHUPCBND-ZDUSSCGKSA-N -1 3 374.462 3.405 20 0 FGADHM CCc1ccc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)cc2C)cc1 ZINC000032094747 493974007 /nfs/dbraw/zinc/97/40/07/493974007.db2.gz JWHZFHFVZXSRBV-UHFFFAOYSA-N -1 3 360.479 3.195 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]c2cc3c(cc2F)CCC(=O)N3)c(C)s1 ZINC000032097875 493975036 /nfs/dbraw/zinc/97/50/36/493975036.db2.gz UQPSKNMLVNJGRN-UHFFFAOYSA-N -1 3 354.428 3.190 20 0 FGADHM O=C1Cc2cc(S(=O)(=O)[N-]c3cc(Cl)ccc3Cl)ccc2N1 ZINC000006788804 493979588 /nfs/dbraw/zinc/97/95/88/493979588.db2.gz RLXJVLHDXAXISU-UHFFFAOYSA-N -1 3 357.218 3.289 20 0 FGADHM CN(CCC[N-]S(=O)(=O)c1ccc(Cl)cc1F)c1ccccc1 ZINC000007059295 493998206 /nfs/dbraw/zinc/99/82/06/493998206.db2.gz HGPNVHPSRVYKIF-UHFFFAOYSA-N -1 3 356.850 3.284 20 0 FGADHM CCCCCc1ccc(NC(=O)C[N-]S(=O)(=O)c2cccs2)cc1 ZINC000032698595 494006017 /nfs/dbraw/zinc/00/60/17/494006017.db2.gz UYFPFOOBCMMHNT-UHFFFAOYSA-N -1 3 366.508 3.398 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(NCCc3ccc(F)cc3F)nc2)n1 ZINC000069798353 494012675 /nfs/dbraw/zinc/01/26/75/494012675.db2.gz QVIWEHFNQLSUTC-UHFFFAOYSA-N -1 3 356.376 3.327 20 0 FGADHM O=S(=O)([N-]c1cc(Cl)ccc1F)c1ccc2c(c1)OCCCO2 ZINC000007403711 494020182 /nfs/dbraw/zinc/02/01/82/494020182.db2.gz JHTLPDVWVXITCV-UHFFFAOYSA-N -1 3 357.790 3.441 20 0 FGADHM Cc1cc(C)c(CNC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])c(C)c1 ZINC000052492691 494030753 /nfs/dbraw/zinc/03/07/53/494030753.db2.gz MXMLBQLHPUOPNT-IBGZPJMESA-N -1 3 366.461 3.238 20 0 FGADHM COC(=O)c1cc(NC(=O)c2c[n-]c3ccccc3c2=O)ccc1Cl ZINC000033002707 494035187 /nfs/dbraw/zinc/03/51/87/494035187.db2.gz JBIYJCFKEGAGPB-UHFFFAOYSA-N -1 3 356.765 3.220 20 0 FGADHM COC(=O)c1cc(NC(=O)c2cnc3ccccc3c2[O-])ccc1Cl ZINC000033002707 494035188 /nfs/dbraw/zinc/03/51/88/494035188.db2.gz JBIYJCFKEGAGPB-UHFFFAOYSA-N -1 3 356.765 3.220 20 0 FGADHM Cc1ccnc2nc(C(=O)[N-]c3nc(-c4cc(F)ccc4F)cs3)nn21 ZINC000007723928 494038955 /nfs/dbraw/zinc/03/89/55/494038955.db2.gz LFJRGHRQLXYLHR-UHFFFAOYSA-N -1 3 372.360 3.087 20 0 FGADHM Cc1ccc(S(C)(=O)=O)cc1[N-]C(=O)c1cc(-c2cccc(F)c2)no1 ZINC000033159506 494048279 /nfs/dbraw/zinc/04/82/79/494048279.db2.gz IVMKHFVAJBGTKL-UHFFFAOYSA-N -1 3 374.393 3.445 20 0 FGADHM O=C(Nc1nnc(-c2ccccn2)[n-]1)c1ccc(Br)c(F)c1 ZINC000063467436 494056642 /nfs/dbraw/zinc/05/66/42/494056642.db2.gz BMVHTGLYXQEUTE-UHFFFAOYSA-N -1 3 362.162 3.021 20 0 FGADHM O=C(Nc1nc(-c2ccccn2)n[n-]1)c1ccc(Br)c(F)c1 ZINC000063467436 494056646 /nfs/dbraw/zinc/05/66/46/494056646.db2.gz BMVHTGLYXQEUTE-UHFFFAOYSA-N -1 3 362.162 3.021 20 0 FGADHM O=C(Nc1n[n-]c(-c2ccccn2)n1)c1ccc(Br)c(F)c1 ZINC000063467436 494056650 /nfs/dbraw/zinc/05/66/50/494056650.db2.gz BMVHTGLYXQEUTE-UHFFFAOYSA-N -1 3 362.162 3.021 20 0 FGADHM Cc1nc(C(C)C)sc1C(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000070849322 494060993 /nfs/dbraw/zinc/06/09/93/494060993.db2.gz GPRLGRCMUHWTMX-UHFFFAOYSA-N -1 3 353.469 3.199 20 0 FGADHM O=S(=O)([N-]CCc1nc2ccccc2s1)c1ccc(F)c(F)c1 ZINC000008059472 494064616 /nfs/dbraw/zinc/06/46/16/494064616.db2.gz BKSJOPSZOSELCR-UHFFFAOYSA-N -1 3 354.403 3.096 20 0 FGADHM CC(C)(C)OC(=O)CCC[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000033889754 494064720 /nfs/dbraw/zinc/06/47/20/494064720.db2.gz GTNRZBUAPGSMEC-UHFFFAOYSA-N -1 3 368.282 3.394 20 0 FGADHM CCC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(CCNC(C)=O)s1 ZINC000077394204 494075311 /nfs/dbraw/zinc/07/53/11/494075311.db2.gz QLFQODAKJZXPDV-GDBMZVCRSA-N -1 3 372.556 3.064 20 0 FGADHM CSCC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000008290706 494082126 /nfs/dbraw/zinc/08/21/26/494082126.db2.gz CLWWMYPTVBKVMW-UHFFFAOYSA-N -1 3 370.883 3.442 20 0 FGADHM Cc1ccc(C(=O)NCc2ccc(NC(=O)NC(C)C)cc2)c([O-])c1C ZINC000053017962 494084429 /nfs/dbraw/zinc/08/44/29/494084429.db2.gz UOZSEPUKCFMQER-UHFFFAOYSA-N -1 3 355.438 3.469 20 0 FGADHM O=C(CNC(=O)c1ccc([O-])cc1)N[C@@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000077448056 494084881 /nfs/dbraw/zinc/08/48/81/494084881.db2.gz HPYRSDHOBWTIHQ-UYAOXDASSA-N -1 3 366.461 3.040 20 0 FGADHM O=C(CNC(=O)c1ccc([O-])cc1)N[C@H]1CCCC[C@H]1Cc1ccccc1 ZINC000077448048 494085055 /nfs/dbraw/zinc/08/50/55/494085055.db2.gz HPYRSDHOBWTIHQ-ICSRJNTNSA-N -1 3 366.461 3.040 20 0 FGADHM CNc1snc(C)c1C(=O)[N-]c1nc(-c2cccc(OC)c2)ns1 ZINC000077444552 494085138 /nfs/dbraw/zinc/08/51/38/494085138.db2.gz OQISSQHEZXXLKH-UHFFFAOYSA-N -1 3 361.452 3.273 20 0 FGADHM Cc1cc(CCCC(=O)NCCCNC(=O)c2cccc([O-])c2)c(C)s1 ZINC000084631559 494088956 /nfs/dbraw/zinc/08/89/56/494088956.db2.gz ZTCLLVFCJOCOJX-UHFFFAOYSA-N -1 3 374.506 3.330 20 0 FGADHM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2cc(C(N)=O)ccc2F)cc1 ZINC000084650518 494090961 /nfs/dbraw/zinc/09/09/61/494090961.db2.gz XWOIXNGZZRDDQA-NSHDSACASA-N -1 3 350.415 3.239 20 0 FGADHM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cc(C(N)=O)ccc2F)cc1 ZINC000084650517 494091013 /nfs/dbraw/zinc/09/10/13/494091013.db2.gz XWOIXNGZZRDDQA-LLVKDONJSA-N -1 3 350.415 3.239 20 0 FGADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)Cc3c[nH]c4ccccc34)cc2)n1 ZINC000064343067 494115299 /nfs/dbraw/zinc/11/52/99/494115299.db2.gz CFUVFGIDNHECIS-UHFFFAOYSA-N -1 3 358.401 3.408 20 0 FGADHM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(Cl)c2)cc1 ZINC000064467911 494126064 /nfs/dbraw/zinc/12/60/64/494126064.db2.gz JOVIYZJWVUOHPW-UHFFFAOYSA-N -1 3 368.842 3.498 20 0 FGADHM C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)c1c([O-])cc(F)cc1F ZINC000077638333 494130157 /nfs/dbraw/zinc/13/01/57/494130157.db2.gz OLPQDGGHCVQJTN-CQSZACIVSA-N -1 3 360.404 3.407 20 0 FGADHM O=C(NCc1csc(Br)c1)c1cc(=O)c2ccccc2[n-]1 ZINC000053502676 494140019 /nfs/dbraw/zinc/14/00/19/494140019.db2.gz FFXFSODQMQMKSQ-UHFFFAOYSA-N -1 3 363.236 3.282 20 0 FGADHM CC(C)CCNC(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000077724944 494158348 /nfs/dbraw/zinc/15/83/48/494158348.db2.gz WOISGBFNVVZFDH-UHFFFAOYSA-N -1 3 359.467 3.070 20 0 FGADHM O=S(=O)([N-][C@H]1CCCOc2ccc(F)cc21)c1ccc(F)cc1F ZINC000053694712 494160045 /nfs/dbraw/zinc/16/00/45/494160045.db2.gz ILVIQUFEGUYCFH-AWEZNQCLSA-N -1 3 357.353 3.296 20 0 FGADHM CCc1ncc(C(=O)Nc2cccc(-c3nc(CC)cc(=O)[n-]3)c2)s1 ZINC000065066124 494169308 /nfs/dbraw/zinc/16/93/08/494169308.db2.gz CPGWLWVVLCMQAI-UHFFFAOYSA-N -1 3 354.435 3.271 20 0 FGADHM O=C(Nc1cccc(NC(=O)c2ccc3n[n-]nc3c2)c1)c1ccccc1 ZINC000053821395 494170012 /nfs/dbraw/zinc/17/00/12/494170012.db2.gz YZIRVDNKUMUKQS-UHFFFAOYSA-N -1 3 357.373 3.463 20 0 FGADHM CCc1noc(CC)c1CC(=O)Nc1ccc(Br)cc1[O-] ZINC000087103667 494172878 /nfs/dbraw/zinc/17/28/78/494172878.db2.gz IAFKBBWSWXVCMG-UHFFFAOYSA-N -1 3 353.216 3.449 20 0 FGADHM CCc1noc(CC)c1CC(=O)Nc1cccc(-c2nc(C)cc(=O)[n-]2)c1 ZINC000087125366 494174684 /nfs/dbraw/zinc/17/46/84/494174684.db2.gz YMBAEOZQGGANOW-UHFFFAOYSA-N -1 3 366.421 3.039 20 0 FGADHM C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2c[n-]c3ccccc3c2=O)C1 ZINC000054223445 494207212 /nfs/dbraw/zinc/20/72/12/494207212.db2.gz WUWRVWPMEWFTGY-WBVHZDCISA-N -1 3 361.445 3.093 20 0 FGADHM O=C(NCc1ccc(OC(F)(F)F)cc1)c1cc(=O)c2ccccc2[n-]1 ZINC000054215938 494207514 /nfs/dbraw/zinc/20/75/14/494207514.db2.gz OLBSEMQRIYIPIL-UHFFFAOYSA-N -1 3 362.307 3.357 20 0 FGADHM CO[C@@H](CS(=O)(=O)[N-]c1ccc(Br)cc1Cl)C1CC1 ZINC000574157231 505707827 /nfs/dbraw/zinc/70/78/27/505707827.db2.gz YAGMPCAYMZMNRF-LBPRGKRZSA-N -1 3 368.680 3.269 20 0 FGADHM CC(C)CC1(CNC(=O)c2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)CCCC1 ZINC000088202554 494213267 /nfs/dbraw/zinc/21/32/67/494213267.db2.gz AVQZBLCFOSEHDL-HXUWFJFHSA-N -1 3 371.481 3.078 20 0 FGADHM CCOC(=O)c1sc(NC(=O)c2c[n-]nc2-c2ccccc2)nc1C ZINC000088286990 494224679 /nfs/dbraw/zinc/22/46/79/494224679.db2.gz DPKUEXSVMUAYQG-UHFFFAOYSA-N -1 3 356.407 3.271 20 0 FGADHM CCOC(=O)c1sc(NC(=O)c2cn[n-]c2-c2ccccc2)nc1C ZINC000088286990 494224680 /nfs/dbraw/zinc/22/46/80/494224680.db2.gz DPKUEXSVMUAYQG-UHFFFAOYSA-N -1 3 356.407 3.271 20 0 FGADHM CN(Cc1cccc2ccccc21)C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000065802113 494240219 /nfs/dbraw/zinc/24/02/19/494240219.db2.gz LLRSCZLZXUGDOL-UHFFFAOYSA-N -1 3 359.385 3.387 20 0 FGADHM COc1ccccc1OCC(=O)Nc1nc(-c2cccc3ccccc32)n[n-]1 ZINC000042756545 494243009 /nfs/dbraw/zinc/24/30/09/494243009.db2.gz DUTWPLQGYDPXPE-UHFFFAOYSA-N -1 3 374.400 3.073 20 0 FGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2CCC[C@H]2C(C)C)cc1OC ZINC000065828115 494243690 /nfs/dbraw/zinc/24/36/90/494243690.db2.gz PHDNAYNANDTEJS-HNNXBMFYSA-N -1 3 369.487 3.109 20 0 FGADHM CCCC[C@@H](CC)CNC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000042841741 494246907 /nfs/dbraw/zinc/24/69/07/494246907.db2.gz UZRGQGFXOYHSDM-MRXNPFEDSA-N -1 3 361.486 3.076 20 0 FGADHM Cc1csc(CCCC[N-]S(=O)(=O)c2ccc(Cl)s2)n1 ZINC000066106402 494276116 /nfs/dbraw/zinc/27/61/16/494276116.db2.gz UXMDDRPFOYGERW-UHFFFAOYSA-N -1 3 350.918 3.468 20 0 FGADHM O=S(=O)([N-]Cc1ccccc1OC(F)F)c1ccc(Cl)s1 ZINC000014208425 494311131 /nfs/dbraw/zinc/31/11/31/494311131.db2.gz UNGLABOQCRDLJL-UHFFFAOYSA-N -1 3 353.799 3.481 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCc3[nH]c4ccc(F)cc4c3C2)c1 ZINC000055220370 494315752 /nfs/dbraw/zinc/31/57/52/494315752.db2.gz XPIDAMZRIDJIOD-UHFFFAOYSA-N -1 3 367.380 3.170 20 0 FGADHM COC(=O)c1ccc(CSc2nc3nc(C)cc(C)c3c(=O)[n-]2)cc1 ZINC000014354389 494316655 /nfs/dbraw/zinc/31/66/55/494316655.db2.gz IAZRTCIIZPKLBZ-UHFFFAOYSA-N -1 3 355.419 3.426 20 0 FGADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cccnc3NC(C)C)cc2)n1 ZINC000073076018 494317809 /nfs/dbraw/zinc/31/78/09/494317809.db2.gz MYAVMAOILVTNHL-UHFFFAOYSA-N -1 3 363.421 3.213 20 0 FGADHM Cc1nc(C)c(CCC(=O)Nc2cnn(CC(C)C)c2C2CC2)c(=O)[n-]1 ZINC000571356307 505713164 /nfs/dbraw/zinc/71/31/64/505713164.db2.gz LFRPBHVOWUWKFM-UHFFFAOYSA-N -1 3 357.458 3.100 20 0 FGADHM CCC1(CNC(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)CC1 ZINC000078614769 494330834 /nfs/dbraw/zinc/33/08/34/494330834.db2.gz OCNYATNOZYETOF-UHFFFAOYSA-N -1 3 371.478 3.214 20 0 FGADHM CC(C)c1ccccc1OCC[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000078644066 494335540 /nfs/dbraw/zinc/33/55/40/494335540.db2.gz ZLZWUGJTEFOCGZ-UHFFFAOYSA-N -1 3 355.406 3.446 20 0 FGADHM CCCCNC(=O)Cc1nc(=O)c2c([n-]1)sc(C)c2-c1ccccc1 ZINC000055502037 494353581 /nfs/dbraw/zinc/35/35/81/494353581.db2.gz BMESQRAVYCZIOR-UHFFFAOYSA-N -1 3 355.463 3.419 20 0 FGADHM O=C(Cc1nc(=O)c2c3c(sc2[n-]1)SCCC3)NC1CCCCC1 ZINC000055502675 494354076 /nfs/dbraw/zinc/35/40/76/494354076.db2.gz QRTUQFYJVCAPAY-UHFFFAOYSA-N -1 3 363.508 3.014 20 0 FGADHM CC(=O)c1ccc(OCCCC(=O)Nc2nnc(-c3ccco3)[n-]2)cc1 ZINC000078868706 494373197 /nfs/dbraw/zinc/37/31/97/494373197.db2.gz CCJQBBMRWXXLMU-UHFFFAOYSA-N -1 3 354.366 3.065 20 0 FGADHM CC(=O)c1ccc(OCCCC(=O)Nc2nc(-c3ccco3)n[n-]2)cc1 ZINC000078868706 494373199 /nfs/dbraw/zinc/37/31/99/494373199.db2.gz CCJQBBMRWXXLMU-UHFFFAOYSA-N -1 3 354.366 3.065 20 0 FGADHM CC(=O)c1ccc(OCCCC(=O)Nc2n[n-]c(-c3ccco3)n2)cc1 ZINC000078868706 494373206 /nfs/dbraw/zinc/37/32/06/494373206.db2.gz CCJQBBMRWXXLMU-UHFFFAOYSA-N -1 3 354.366 3.065 20 0 FGADHM CNC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C)c(C)c2)c1 ZINC000055620541 494373980 /nfs/dbraw/zinc/37/39/80/494373980.db2.gz AMBMJJUDUCLHCU-UHFFFAOYSA-N -1 3 352.843 3.117 20 0 FGADHM CC(C)CCn1c(=O)c2ccccc2nc1SCc1cc(=O)c([O-])co1 ZINC000079019373 494394296 /nfs/dbraw/zinc/39/42/96/494394296.db2.gz IBRQKCZEASYVAS-UHFFFAOYSA-N -1 3 372.446 3.394 20 0 FGADHM CSC[C@H](C)C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000066838793 494420392 /nfs/dbraw/zinc/42/03/92/494420392.db2.gz BUKMSMNRQVVURN-QMMMGPOBSA-N -1 3 370.418 3.015 20 0 FGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)c2ccccc2Cl)s1 ZINC000079239841 494423789 /nfs/dbraw/zinc/42/37/89/494423789.db2.gz UGESHIMICQNVQD-VIFPVBQESA-N -1 3 359.856 3.228 20 0 FGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)c2cc(C)sc2C)s1 ZINC000079262333 494426759 /nfs/dbraw/zinc/42/67/59/494426759.db2.gz FPDKOQMDYAUCMA-SECBINFHSA-N -1 3 359.494 3.253 20 0 FGADHM CCCNC(=O)[C@H](C)Sc1n[n-]c(COc2ccc(Cl)cc2)n1 ZINC000045485386 494433125 /nfs/dbraw/zinc/43/31/25/494433125.db2.gz 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494523742 /nfs/dbraw/zinc/52/37/42/494523742.db2.gz PFEKESLCVHMZCH-UHFFFAOYSA-N -1 3 352.481 3.389 20 0 FGADHM CO[C@H](CS(=O)(=O)[N-]c1cccc2c1CN(CCC(C)C)C2)C1CC1 ZINC000571404273 505726058 /nfs/dbraw/zinc/72/60/58/505726058.db2.gz VZPAAJKQMBCMLV-LJQANCHMSA-N -1 3 366.527 3.215 20 0 FGADHM Cc1nnc([C@@H](C)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)o1 ZINC000079881271 494542630 /nfs/dbraw/zinc/54/26/30/494542630.db2.gz SHBVPULNQFXFNL-SNVBAGLBSA-N -1 3 364.833 3.149 20 0 FGADHM CC(F)(F)c1ccc(C(=O)Nc2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)cc1 ZINC000568583902 505727587 /nfs/dbraw/zinc/72/75/87/505727587.db2.gz HUORFFTWDJCZCU-SFHVURJKSA-N -1 3 373.359 3.105 20 0 FGADHM Cc1ccc(C(=O)NCc2cccc(CN3CCCC3=O)c2)c([O-])c1C ZINC000079998797 494566196 /nfs/dbraw/zinc/56/61/96/494566196.db2.gz ZVZPLKSRDWRKIY-UHFFFAOYSA-N -1 3 352.434 3.061 20 0 FGADHM CCN1C[C@H](C)N(C(=O)c2ccc(C(=O)c3cccc([O-])c3)cc2)[C@@H](C)C1 ZINC000571416907 505728906 /nfs/dbraw/zinc/72/89/06/505728906.db2.gz MDLHYZJREKNUFH-HOTGVXAUSA-N -1 3 366.461 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COc1ccc([O-])c(C(=O)N2CCC([C@H](O)c3ccc(F)cc3)CC2)c1 ZINC000108458826 494712081 /nfs/dbraw/zinc/71/20/81/494712081.db2.gz FOGFSRHTNIQARG-LJQANCHMSA-N -1 3 359.397 3.126 20 0 FGADHM O=C([O-])c1cnc2cc3c(cc2c1N1CCC([C@@H]2CCCO2)CC1)OCO3 ZINC000577495751 505739788 /nfs/dbraw/zinc/73/97/88/505739788.db2.gz CKTRLIPIIOJBGX-INIZCTEOSA-N -1 3 370.405 3.057 20 0 FGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000116170115 494721682 /nfs/dbraw/zinc/72/16/82/494721682.db2.gz NSAXARFPBPSYJQ-GHMZBOCLSA-N -1 3 366.389 3.079 20 0 FGADHM CC(C)CCn1cccc1CN1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000091924952 494723768 /nfs/dbraw/zinc/72/37/68/494723768.db2.gz WGRKWWYZQBLOAR-UHFFFAOYSA-N -1 3 355.482 3.198 20 0 FGADHM O=S(=O)([N-]C[C@H](CO)C1CCCCC1)c1ccc(C(F)(F)F)s1 ZINC000580349504 505738759 /nfs/dbraw/zinc/73/87/59/505738759.db2.gz HDMZXSWRPDIBHT-LLVKDONJSA-N -1 3 371.446 3.234 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2CCCCS2)sc1Br ZINC000126413365 494742623 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CC(C)([N-]S(=O)(=O)c1ccc(Br)s1)c1nccs1 ZINC000116377465 494769019 /nfs/dbraw/zinc/76/90/19/494769019.db2.gz DYDBXQVQZOFUSX-UHFFFAOYSA-N -1 3 367.315 3.181 20 0 FGADHM CCc1ccc([C@@H](C)C(=O)Nc2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)cc1 ZINC000075478782 494773841 /nfs/dbraw/zinc/77/38/41/494773841.db2.gz DDQDRNCJNRNDJQ-ASSNKEHSSA-N -1 3 365.433 3.046 20 0 FGADHM COc1ccc(C(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)c([O-])c1 ZINC000075490669 494776058 /nfs/dbraw/zinc/77/60/58/494776058.db2.gz QASLIJYQPAMIBU-INIZCTEOSA-N -1 3 354.450 3.137 20 0 FGADHM C[C@@H](CC(=O)N1CCN(C(=O)c2cccc([O-])c2)CC1)c1cccc(F)c1 ZINC000116444373 494787376 /nfs/dbraw/zinc/78/73/76/494787376.db2.gz CKEPHFKSTJKWIZ-HNNXBMFYSA-N -1 3 370.424 3.010 20 0 FGADHM O=C(c1cccc([O-])c1)N1CCN(Cc2cccc(-c3ccccn3)c2)CC1 ZINC000092937741 494791853 /nfs/dbraw/zinc/79/18/53/494791853.db2.gz MSOMYWXAEPLCEL-UHFFFAOYSA-N -1 3 373.456 3.412 20 0 FGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]C[C@@H]3CCCS3)s2)cs1 ZINC000121526135 494792378 /nfs/dbraw/zinc/79/23/78/494792378.db2.gz NEZCYNIUUUJALD-JTQLQIEISA-N -1 3 360.551 3.354 20 0 FGADHM Cc1c([C@@H](C)NC(=O)c2c([O-])cccc2O)cnn1-c1ccc(F)cc1 ZINC000092107577 494793832 /nfs/dbraw/zinc/79/38/32/494793832.db2.gz GTCRHIZPGYMQAZ-LLVKDONJSA-N -1 3 355.369 3.222 20 0 FGADHM COc1ccc(OCC(=O)Nc2cc(Br)ccc2[O-])cc1 ZINC000126648053 494810418 /nfs/dbraw/zinc/81/04/18/494810418.db2.gz DNCGUCIMVBKQBU-UHFFFAOYSA-N -1 3 352.184 3.181 20 0 FGADHM Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)c1cc(-c2ccco2)[n-]n1 ZINC000132070778 494812089 /nfs/dbraw/zinc/81/20/89/494812089.db2.gz HBVHCYUDLQILQR-UHFFFAOYSA-N -1 3 364.405 3.466 20 0 FGADHM Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)c1cc(-c2ccco2)n[n-]1 ZINC000132070778 494812093 /nfs/dbraw/zinc/81/20/93/494812093.db2.gz HBVHCYUDLQILQR-UHFFFAOYSA-N -1 3 364.405 3.466 20 0 FGADHM O=C(CSc1n[n-]c(COc2ccc(Cl)cc2)n1)C1CCOCC1 ZINC000092251822 494821785 /nfs/dbraw/zinc/82/17/85/494821785.db2.gz NTEUVIPLTMFDRL-UHFFFAOYSA-N -1 3 367.858 3.125 20 0 FGADHM COCCOc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C)cc1 ZINC000026529894 494830423 /nfs/dbraw/zinc/83/04/23/494830423.db2.gz XTNANAAIBTZSMN-UHFFFAOYSA-N -1 3 355.843 3.474 20 0 FGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]CCCC(C)(C)CO)s2)cs1 ZINC000121683859 494837186 /nfs/dbraw/zinc/83/71/86/494837186.db2.gz QOBMXLQAUCFWSX-UHFFFAOYSA-N -1 3 374.553 3.257 20 0 FGADHM C[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)s1)N1CCc2ccccc21 ZINC000026847713 494841385 /nfs/dbraw/zinc/84/13/85/494841385.db2.gz QEZPPTZPCJIYEV-NSHDSACASA-N -1 3 356.900 3.131 20 0 FGADHM COc1cccc(C(=O)N[C@@H](C)c2cccc(N3CCCC3=O)c2)c1[O-] ZINC000126817845 494844380 /nfs/dbraw/zinc/84/43/80/494844380.db2.gz SNNKAECNXSQEQA-ZDUSSCGKSA-N -1 3 354.406 3.019 20 0 FGADHM Cc1ccc([C@H]2COCCN2Cc2nc3c4ccccc4oc3c(=O)[n-]2)o1 ZINC000116897070 494868506 /nfs/dbraw/zinc/86/85/06/494868506.db2.gz RNMOZZRBBIVDCZ-CQSZACIVSA-N -1 3 365.389 3.144 20 0 FGADHM Cc1cc(F)c(S(=O)(=O)[N-]Cc2nc3ccccc3s2)cc1F ZINC000121827029 494868743 /nfs/dbraw/zinc/86/87/43/494868743.db2.gz CIQDVLBODUBAOF-UHFFFAOYSA-N -1 3 354.403 3.361 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@@H]3[C@@H]4Cc5ccccc5[C@H]34)nc2)n1 ZINC000132462270 494878118 /nfs/dbraw/zinc/87/81/18/494878118.db2.gz IEMYQQZFWNUAGY-UEXGIBASSA-N -1 3 358.445 3.392 20 0 FGADHM CC[C@H](C)[C@H](C(=O)NCCNC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000116975195 494878270 /nfs/dbraw/zinc/87/82/70/494878270.db2.gz YOKSHJQPNMCEKG-KXBFYZLASA-N -1 3 354.450 3.068 20 0 FGADHM CC(C)[C@@H](Sc1n[n-]c(-c2ccccn2)n1)C(=O)N1CCC[C@@H](C)C1 ZINC000117114469 494891631 /nfs/dbraw/zinc/89/16/31/494891631.db2.gz BXJHVWQKQPJZGF-UKRRQHHQSA-N -1 3 359.499 3.242 20 0 FGADHM CS(=O)(=O)[N-]c1cc(-c2nc(-c3cccc(F)c3)no2)ccc1F ZINC000109605138 494895186 /nfs/dbraw/zinc/89/51/86/494895186.db2.gz OSOSNZGVFCRFRY-UHFFFAOYSA-N -1 3 351.334 3.053 20 0 FGADHM Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1n[n-]c(-c2ccccc2F)n1 ZINC000109625422 494897753 /nfs/dbraw/zinc/89/77/53/494897753.db2.gz GVNNNPDSYISHBY-UHFFFAOYSA-N -1 3 370.432 3.261 20 0 FGADHM Cc1cc(C)n(Cc2cccc(C(=O)NCc3ccc([O-])c(F)c3)c2)n1 ZINC000132668065 494906896 /nfs/dbraw/zinc/90/68/96/494906896.db2.gz DEHYWEWCPJFOAD-UHFFFAOYSA-N -1 3 353.397 3.323 20 0 FGADHM [O-]c1ccc(Br)c(CN2CCC([C@@H](O)C(F)(F)F)CC2)c1 ZINC000093766696 494919172 /nfs/dbraw/zinc/91/91/72/494919172.db2.gz LXKUFMVMWMNGNC-CYBMUJFWSA-N -1 3 368.193 3.290 20 0 FGADHM Cc1ccccc1CS(=O)(=O)NCc1ccc([O-])c(Br)c1 ZINC000127271386 494920378 /nfs/dbraw/zinc/92/03/78/494920378.db2.gz LKONJEXFTGBHME-UHFFFAOYSA-N -1 3 370.268 3.083 20 0 FGADHM CSc1nccn1-c1ccc(C(=O)Nc2nnc(-c3ccco3)[n-]2)cc1 ZINC000132851555 494933698 /nfs/dbraw/zinc/93/36/98/494933698.db2.gz AMKGRIMYTXCHNJ-UHFFFAOYSA-N -1 3 366.406 3.225 20 0 FGADHM CSc1nccn1-c1ccc(C(=O)Nc2nc(-c3ccco3)n[n-]2)cc1 ZINC000132851555 494933700 /nfs/dbraw/zinc/93/37/00/494933700.db2.gz AMKGRIMYTXCHNJ-UHFFFAOYSA-N -1 3 366.406 3.225 20 0 FGADHM CSc1nccn1-c1ccc(C(=O)Nc2n[n-]c(-c3ccco3)n2)cc1 ZINC000132851555 494933703 /nfs/dbraw/zinc/93/37/03/494933703.db2.gz AMKGRIMYTXCHNJ-UHFFFAOYSA-N -1 3 366.406 3.225 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(C)[nH]nc3c2)cc1Cl ZINC000093909626 494933889 /nfs/dbraw/zinc/93/38/89/494933889.db2.gz QCXKNEHRCHCQDW-UHFFFAOYSA-N -1 3 351.815 3.334 20 0 FGADHM CCc1cccc(C(=O)N[C@H](c2nccn2C)c2ccc(F)cc2)c1[O-] ZINC000093910564 494934202 /nfs/dbraw/zinc/93/42/02/494934202.db2.gz AEHWDWSTZRYKNR-KRWDZBQOSA-N -1 3 353.397 3.347 20 0 FGADHM CC(C)(C)OC(=O)c1cccc(C(=O)Nc2cccc(-c3nnn[n-]3)c2)c1 ZINC000093909649 494934369 /nfs/dbraw/zinc/93/43/69/494934369.db2.gz MHTUXUIDLGTVLL-UHFFFAOYSA-N -1 3 365.393 3.074 20 0 FGADHM CC(C)(C)OC(=O)c1cccc(C(=O)Nc2cccc(-c3nn[n-]n3)c2)c1 ZINC000093909649 494934372 /nfs/dbraw/zinc/93/43/72/494934372.db2.gz MHTUXUIDLGTVLL-UHFFFAOYSA-N -1 3 365.393 3.074 20 0 FGADHM CCC1([N-]S(=O)(=O)c2ccc(CCNC(=O)CC(C)C)s2)CCC1 ZINC000093922226 494935543 /nfs/dbraw/zinc/93/55/43/494935543.db2.gz OPQDXQGPSUDRPS-UHFFFAOYSA-N -1 3 372.556 3.064 20 0 FGADHM CCc1cccc(C(=O)N(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c1[O-] ZINC000093923027 494935747 /nfs/dbraw/zinc/93/57/47/494935747.db2.gz GDZSCRFNQXMIRL-ZDUSSCGKSA-N -1 3 361.463 3.191 20 0 FGADHM CCc1cccc(C(=O)Nc2ccccc2OCCn2ccnc2)c1[O-] ZINC000094038192 494942617 /nfs/dbraw/zinc/94/26/17/494942617.db2.gz FXKXVGGBELLNOC-UHFFFAOYSA-N -1 3 351.406 3.482 20 0 FGADHM CCCCOc1ccccc1NC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000117696638 494945736 /nfs/dbraw/zinc/94/57/36/494945736.db2.gz QZYISFQZGPQBCP-UHFFFAOYSA-N -1 3 362.451 3.489 20 0 FGADHM O=C([N-]c1nncn1Cc1ccccc1)c1cc(-c2ccccc2F)on1 ZINC000117735894 494950450 /nfs/dbraw/zinc/95/04/50/494950450.db2.gz LBWBJEZMSIAQFZ-UHFFFAOYSA-N -1 3 363.352 3.373 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)c1cnc2onc(C)c2c1)c1cc(F)ccc1F ZINC000122311412 494956531 /nfs/dbraw/zinc/95/65/31/494956531.db2.gz SZTAIYFKBMQKTP-HNNXBMFYSA-N -1 3 367.377 3.239 20 0 FGADHM COc1ccc(C(=O)NCc2ccc([O-])c(F)c2)c(Br)c1 ZINC000133108734 494970538 /nfs/dbraw/zinc/97/05/38/494970538.db2.gz MBSMKDZTMACSQR-UHFFFAOYSA-N -1 3 354.175 3.232 20 0 FGADHM CC(C)c1c(C(=O)NCc2ccc([O-])c(F)c2)cnn1-c1ccccn1 ZINC000133119148 494972924 /nfs/dbraw/zinc/97/29/24/494972924.db2.gz QPZJZQCSWYHIAR-UHFFFAOYSA-N -1 3 354.385 3.165 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)NC2(c3nc(C)cs3)CCCC2)c1 ZINC000122463218 494980095 /nfs/dbraw/zinc/98/00/95/494980095.db2.gz NHMYIOAXKRFSRS-UHFFFAOYSA-N -1 3 359.451 3.315 20 0 FGADHM C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000127754442 494992664 /nfs/dbraw/zinc/99/26/64/494992664.db2.gz WFIAIGKFVZBSJY-BRWVUGGUSA-N -1 3 372.509 3.465 20 0 FGADHM NC(=O)CCSc1ccccc1[N-]C(=O)c1cc(F)c(F)cc1F ZINC000133284941 494995177 /nfs/dbraw/zinc/99/51/77/494995177.db2.gz GMLCKFVHRCPRJW-UHFFFAOYSA-N -1 3 354.353 3.324 20 0 FGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)[C@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000110785901 495009971 /nfs/dbraw/zinc/00/99/71/495009971.db2.gz HULDKRUHWVSZSA-PMACEKPBSA-N -1 3 369.428 3.440 20 0 FGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)[C@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000110785901 495009975 /nfs/dbraw/zinc/00/99/75/495009975.db2.gz HULDKRUHWVSZSA-PMACEKPBSA-N -1 3 369.428 3.440 20 0 FGADHM O=C1Nc2ccc(S(=O)(=O)[N-]c3cccc(O)c3F)c3cccc1c23 ZINC000127898417 495014606 /nfs/dbraw/zinc/01/46/06/495014606.db2.gz PWDPCLJIWMNHMP-UHFFFAOYSA-N -1 3 358.350 3.051 20 0 FGADHM CC(C)c1ccsc1C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000097106445 495024264 /nfs/dbraw/zinc/02/42/64/495024264.db2.gz UKGQYRBAAPLHKW-UHFFFAOYSA-N -1 3 358.463 3.175 20 0 FGADHM O=S(=O)(C[C@@H]1CCCO1)[N-]c1ccc(Cl)cc1Br ZINC000128011132 495030894 /nfs/dbraw/zinc/03/08/94/495030894.db2.gz CHOSPEFVTDLCEI-VIFPVBQESA-N -1 3 354.653 3.023 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CNc3cccc(F)c3)c2)n1 ZINC000118878133 495051269 /nfs/dbraw/zinc/05/12/69/495051269.db2.gz CFXYXTODFHVALJ-UHFFFAOYSA-N -1 3 366.396 3.189 20 0 FGADHM CCc1n[n-]c(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)n1 ZINC000122916573 495052313 /nfs/dbraw/zinc/05/23/13/495052313.db2.gz VNWGZJBSBNCELI-UHFFFAOYSA-N -1 3 352.423 3.328 20 0 FGADHM CO[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000128163928 495054684 /nfs/dbraw/zinc/05/46/84/495054684.db2.gz MVBHUZFTUYURKK-GHMZBOCLSA-N -1 3 357.781 3.205 20 0 FGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@H]1CC(C)(C)c2ccccc21 ZINC000128248117 495067054 /nfs/dbraw/zinc/06/70/54/495067054.db2.gz LUGMPSAVVAZOSY-ZDUSSCGKSA-N -1 3 365.476 3.236 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-][C@H](Cc1ccccc1OC)C(C)C ZINC000123082447 495077830 /nfs/dbraw/zinc/07/78/30/495077830.db2.gz KWQLIXWEKUYVBF-CQSZACIVSA-N -1 3 369.508 3.311 20 0 FGADHM CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)Nc1cccc([O-])c1F ZINC000128313676 495077978 /nfs/dbraw/zinc/07/79/78/495077978.db2.gz XEFNNYDAAGAESG-INIZCTEOSA-N -1 3 366.339 3.203 20 0 FGADHM O=C(Cc1csc(-c2ccc3c(c2)OCO3)n1)Nc1ccccc1[O-] ZINC000101630777 495087939 /nfs/dbraw/zinc/08/79/39/495087939.db2.gz WVEJMIVJRSVMAI-UHFFFAOYSA-N -1 3 354.387 3.426 20 0 FGADHM Cn1ncc2c1ncc(C(=O)Nc1nc(-c3ccccc3)cs1)c2[O-] ZINC000119115442 495096428 /nfs/dbraw/zinc/09/64/28/495096428.db2.gz 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ZINC000102379630 495133095 /nfs/dbraw/zinc/13/30/95/495133095.db2.gz LUZQRWYOFJAXEI-UHFFFAOYSA-N -1 3 368.481 3.326 20 0 FGADHM O=C(NCc1cccc(OCC(F)F)c1)c1c[n-]c2ccccc2c1=O ZINC000102376435 495133103 /nfs/dbraw/zinc/13/31/03/495133103.db2.gz KRGOTQMQQKLRAT-UHFFFAOYSA-N -1 3 358.344 3.102 20 0 FGADHM Cn1ccnc1-c1cc(NC(=O)[C@H]2C[C@H]2c2c(F)cccc2Cl)n[n-]1 ZINC000119285107 495133836 /nfs/dbraw/zinc/13/38/36/495133836.db2.gz IHPSKLIOKVUQQG-ZJUUUORDSA-N -1 3 359.792 3.345 20 0 FGADHM Cn1ccnc1-c1cc(NC(=O)[C@H]2C[C@H]2c2c(F)cccc2Cl)[n-]n1 ZINC000119285107 495133837 /nfs/dbraw/zinc/13/38/37/495133837.db2.gz IHPSKLIOKVUQQG-ZJUUUORDSA-N -1 3 359.792 3.345 20 0 FGADHM O=C(c1ccc(C(=O)N2CC[C@H](OC(F)F)C2)cc1)c1cccc([O-])c1 ZINC000580454811 505763428 /nfs/dbraw/zinc/76/34/28/505763428.db2.gz FGVAMPCGSDNDMY-INIZCTEOSA-N -1 3 361.344 3.077 20 0 FGADHM CN(C)Cc1c2ccccc2oc1C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000577609687 505763463 /nfs/dbraw/zinc/76/34/63/505763463.db2.gz HZXIUTHAYBMLDN-CQSZACIVSA-N -1 3 358.438 3.211 20 0 FGADHM Cn1ncc2c1ncc(C(=O)Nc1ccc(CCC(F)(F)F)cc1)c2[O-] ZINC000119331882 495144550 /nfs/dbraw/zinc/14/45/50/495144550.db2.gz BFBBKZPKMQRUSF-UHFFFAOYSA-N -1 3 364.327 3.421 20 0 FGADHM COc1cc(C(=O)N(C)Cc2nc3c(s2)CCCC3)cc(OC)c1[O-] ZINC000128785126 495149824 /nfs/dbraw/zinc/14/98/24/495149824.db2.gz NBAUWBYDKHNIAG-UHFFFAOYSA-N -1 3 362.451 3.017 20 0 FGADHM CC[C@H](C)[C@H](O)C[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000119383952 495155202 /nfs/dbraw/zinc/15/52/02/495155202.db2.gz DHVKYOOKTFXPDW-GZMMTYOYSA-N -1 3 359.797 3.044 20 0 FGADHM CCOC(=O)c1ccsc1[N-]C(=O)C(=O)N(C)[C@H]1CCCC[C@@H]1CC ZINC000128903134 495165778 /nfs/dbraw/zinc/16/57/78/495165778.db2.gz VMXYGFILBHQECT-JSGCOSHPSA-N -1 3 366.483 3.291 20 0 FGADHM Cc1ccc(OC(F)F)c(CNC(=O)c2c[n-]c3ccccc3c2=O)c1 ZINC000128903396 495165896 /nfs/dbraw/zinc/16/58/96/495165896.db2.gz FSXCIXKEZAMVIY-UHFFFAOYSA-N -1 3 358.344 3.368 20 0 FGADHM CCOc1cn(-c2ccccc2)nc1C(=O)[N-]c1ccsc1C(=O)OC ZINC000102979114 495178600 /nfs/dbraw/zinc/17/86/00/495178600.db2.gz MOZOTYYPWBHOEU-UHFFFAOYSA-N -1 3 371.418 3.371 20 0 FGADHM CCC[C@H](CCO)C[N-]S(=O)(=O)c1ccc(-c2csc(C)n2)s1 ZINC000123736194 495178611 /nfs/dbraw/zinc/17/86/11/495178611.db2.gz QBWYFGMPVVGLME-GFCCVEGCSA-N -1 3 374.553 3.257 20 0 FGADHM C[C@@H](Oc1ccc(F)cc1Cl)C(=O)Nc1cc(-c2nccn2C)[n-]n1 ZINC000119532240 495184562 /nfs/dbraw/zinc/18/45/62/495184562.db2.gz ZFUYBSCVWITFIL-SECBINFHSA-N -1 3 363.780 3.009 20 0 FGADHM C[C@@H](Oc1ccc(F)cc1Cl)C(=O)Nc1cc(-c2nccn2C)n[n-]1 ZINC000119532240 495184563 /nfs/dbraw/zinc/18/45/63/495184563.db2.gz ZFUYBSCVWITFIL-SECBINFHSA-N -1 3 363.780 3.009 20 0 FGADHM CCCCN(C)c1ccc(C(=O)Nc2cc(-c3nccn3C)[n-]n2)cc1 ZINC000119551940 495189390 /nfs/dbraw/zinc/18/93/90/495189390.db2.gz YWDGOKONMSLHMI-UHFFFAOYSA-N -1 3 352.442 3.299 20 0 FGADHM CCCCN(C)c1ccc(C(=O)Nc2cc(-c3nccn3C)n[n-]2)cc1 ZINC000119551940 495189391 /nfs/dbraw/zinc/18/93/91/495189391.db2.gz YWDGOKONMSLHMI-UHFFFAOYSA-N -1 3 352.442 3.299 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]CCCOCC(C)C)sc1Br ZINC000123831019 495192925 /nfs/dbraw/zinc/19/29/25/495192925.db2.gz PGRBCNLWTQHHSR-UHFFFAOYSA-N -1 3 370.334 3.160 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)[C@H](O)Cc1ccccc1 ZINC000129119688 495198858 /nfs/dbraw/zinc/19/88/58/495198858.db2.gz ROBBLAYGLPHJNS-XHDPSFHLSA-N -1 3 374.289 3.264 20 0 FGADHM O=C(N[C@H]1CC[C@@H](CO)CC1)c1cc(OCc2ccccc2)ccc1[O-] ZINC000129129808 495200869 /nfs/dbraw/zinc/20/08/69/495200869.db2.gz VJJMBDSHPUVOAX-JCNLHEQBSA-N -1 3 355.434 3.252 20 0 FGADHM Cc1oc(-c2ccsc2)nc1CC(=O)Nc1cc(-c2nccn2C)[n-]n1 ZINC000119634805 495206429 /nfs/dbraw/zinc/20/64/29/495206429.db2.gz GLRZEGKPOCCMKO-UHFFFAOYSA-N -1 3 368.422 3.016 20 0 FGADHM Cc1oc(-c2ccsc2)nc1CC(=O)Nc1cc(-c2nccn2C)n[n-]1 ZINC000119634805 495206433 /nfs/dbraw/zinc/20/64/33/495206433.db2.gz GLRZEGKPOCCMKO-UHFFFAOYSA-N -1 3 368.422 3.016 20 0 FGADHM Cc1ccc(C(=O)NCc2ccc(NC(=O)c3cccnc3)cc2)c([O-])c1 ZINC000123918752 495206940 /nfs/dbraw/zinc/20/69/40/495206940.db2.gz OQWKFSBBRQQNEP-UHFFFAOYSA-N -1 3 361.401 3.278 20 0 FGADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)CO[C@@H]3CCC[C@@H](C)C3)cc2)n1 ZINC000112576264 495208055 /nfs/dbraw/zinc/20/80/55/495208055.db2.gz ISJLLXZXFKCBHU-CXAGYDPISA-N -1 3 355.438 3.279 20 0 FGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1cccc(Oc2ccncc2)c1 ZINC000112627559 495214129 /nfs/dbraw/zinc/21/41/29/495214129.db2.gz WORFXAJZFBGJNP-UHFFFAOYSA-N -1 3 358.361 3.306 20 0 FGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1cccc(Oc2ccncc2)c1 ZINC000112627559 495214133 /nfs/dbraw/zinc/21/41/33/495214133.db2.gz WORFXAJZFBGJNP-UHFFFAOYSA-N -1 3 358.361 3.306 20 0 FGADHM O=C(Nc1cc(Cl)ccc1[O-])c1cncc(I)c1 ZINC000123975049 495215533 /nfs/dbraw/zinc/21/55/33/495215533.db2.gz DUILYFPRUNUMGZ-UHFFFAOYSA-N -1 3 374.565 3.298 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)C1(c2ccc(F)cc2)CCCC1 ZINC000129244205 495217312 /nfs/dbraw/zinc/21/73/12/495217312.db2.gz WUVIQRXQBWCKQH-UHFFFAOYSA-N -1 3 351.385 3.456 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)C1(c2ccc(F)cc2)CCCC1 ZINC000129244205 495217316 /nfs/dbraw/zinc/21/73/16/495217316.db2.gz WUVIQRXQBWCKQH-UHFFFAOYSA-N -1 3 351.385 3.456 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)[C@@H](O)Cc1ccccc1 ZINC000129255532 495218733 /nfs/dbraw/zinc/21/87/33/495218733.db2.gz MKZNRFWUIXWNAH-FZMZJTMJSA-N -1 3 374.289 3.264 20 0 FGADHM Cc1cnc([C@H](C)[N-]S(=O)(=O)c2sccc2Br)s1 ZINC000134940317 495227743 /nfs/dbraw/zinc/22/77/43/495227743.db2.gz RRNJHLKYZRODDM-ZETCQYMHSA-N -1 3 367.315 3.315 20 0 FGADHM Cc1nc(C)c(CCC(=O)Nc2ccc3[nH]c(C4CCC4)nc3c2)c(=O)[n-]1 ZINC000119736613 495229764 /nfs/dbraw/zinc/22/97/64/495229764.db2.gz SLFCQKYWBWFSSP-UHFFFAOYSA-N -1 3 365.437 3.102 20 0 FGADHM Cc1nc(C)c(CCC(=O)Nc2ccc3nc(C4CCC4)[nH]c3c2)c(=O)[n-]1 ZINC000119736613 495229768 /nfs/dbraw/zinc/22/97/68/495229768.db2.gz SLFCQKYWBWFSSP-UHFFFAOYSA-N -1 3 365.437 3.102 20 0 FGADHM COc1cc2nc(-c3ccc(Br)cc3)[n-]c(=O)c2cc1OC ZINC000119737499 495229783 /nfs/dbraw/zinc/22/97/83/495229783.db2.gz AFLNZOGUBZBZDP-UHFFFAOYSA-N -1 3 361.195 3.370 20 0 FGADHM CC(C)c1nc2c(n1C)CCN(C(=O)c1ccc3c(c1[O-])OC(C)(C)C3)C2 ZINC000112725609 495230326 /nfs/dbraw/zinc/23/03/26/495230326.db2.gz VXZHIWAOCLLZSA-UHFFFAOYSA-N -1 3 369.465 3.161 20 0 FGADHM COCc1nc(C)c(C(=O)[N-]c2n[nH]c(-c3ccccc3Cl)n2)s1 ZINC000135011179 495238405 /nfs/dbraw/zinc/23/84/05/495238405.db2.gz LVCFUSOAPZSTMM-UHFFFAOYSA-N -1 3 363.830 3.289 20 0 FGADHM CC[C@@H](CC(=O)NCCCNC(=O)c1cccc([O-])c1)c1ccccc1 ZINC000103521361 495245944 /nfs/dbraw/zinc/24/59/44/495245944.db2.gz XIMJNTACIKRUIR-INIZCTEOSA-N -1 3 354.450 3.212 20 0 FGADHM C[C@@H](CSCc1ccccc1)C(=O)Nc1cc(-c2nccn2C)[n-]n1 ZINC000119820520 495248055 /nfs/dbraw/zinc/24/80/55/495248055.db2.gz YRGWSPOSBQQQCW-ZDUSSCGKSA-N -1 3 355.467 3.318 20 0 FGADHM C[C@@H](CSCc1ccccc1)C(=O)Nc1cc(-c2nccn2C)n[n-]1 ZINC000119820520 495248061 /nfs/dbraw/zinc/24/80/61/495248061.db2.gz YRGWSPOSBQQQCW-ZDUSSCGKSA-N -1 3 355.467 3.318 20 0 FGADHM O=C(Nc1cccc([O-])c1F)C1(c2ccc(F)cc2F)CCOCC1 ZINC000129628905 495272876 /nfs/dbraw/zinc/27/28/76/495272876.db2.gz WVGMLQRLOPZANR-UHFFFAOYSA-N -1 3 351.324 3.496 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1cc2ccccc2o1)c1cn(-c2ccccc2)nn1 ZINC000129689451 495281970 /nfs/dbraw/zinc/28/19/70/495281970.db2.gz QHWGZFSFRLJOKS-CYBMUJFWSA-N -1 3 368.418 3.053 20 0 FGADHM CS(=O)(=O)c1ccc(Cl)c([N-]C(=O)c2cc(F)c(F)cc2F)c1 ZINC000124466592 495292567 /nfs/dbraw/zinc/29/25/67/495292567.db2.gz CGQWWHZTEMLPRH-UHFFFAOYSA-N -1 3 363.744 3.413 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2ccc3nc(C(F)F)[nH]c3c2)cc1F ZINC000135516704 495305051 /nfs/dbraw/zinc/30/50/51/495305051.db2.gz PJSGPUFJJNYVME-UHFFFAOYSA-N -1 3 371.340 3.449 20 0 FGADHM O=C(c1ccc2c(c1)C(=O)[N-]C2=O)N1CCC[C@@H]1c1ccccc1Cl ZINC000104856938 495310587 /nfs/dbraw/zinc/31/05/87/495310587.db2.gz ANBRFRGINZMHDO-MRXNPFEDSA-N -1 3 354.793 3.201 20 0 FGADHM O=C([O-])C1CCN(C(=O)CN2CCC[C@H](CCCc3ccccc3)C2)CC1 ZINC000568771762 505774647 /nfs/dbraw/zinc/77/46/47/505774647.db2.gz DUEJFWJLZPHWKR-IBGZPJMESA-N -1 3 372.509 3.045 20 0 FGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@@H](C)C[C@H]3CCCO3)s2)cs1 ZINC000120213487 495328872 /nfs/dbraw/zinc/32/88/72/495328872.db2.gz XIBBZPHWBCHZBE-CMPLNLGQSA-N -1 3 372.537 3.416 20 0 FGADHM C[C@H](NC(=O)C1CCCCC1)C(=O)Nc1ccc(Br)cc1[O-] ZINC000130025422 495330043 /nfs/dbraw/zinc/33/00/43/495330043.db2.gz PVKWOOYBQOSFTN-JTQLQIEISA-N -1 3 369.259 3.178 20 0 FGADHM O=C(CSCc1ccncc1)Nc1ccc(Br)cc1[O-] ZINC000130024540 495330563 /nfs/dbraw/zinc/33/05/63/495330563.db2.gz HQZNBBFPWGAHTM-UHFFFAOYSA-N -1 3 353.241 3.422 20 0 FGADHM CS(=O)(=O)[N-]c1nc2cc(C(F)(F)F)ccc2n1Cc1ccco1 ZINC000130029717 495331142 /nfs/dbraw/zinc/33/11/42/495331142.db2.gz YPNBOVPUGHSYFS-UHFFFAOYSA-N -1 3 359.329 3.068 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2CN(C)C)cc1F ZINC000114054272 495346842 /nfs/dbraw/zinc/34/68/42/495346842.db2.gz QINXDLNTKTXBJY-UHFFFAOYSA-N -1 3 352.431 3.005 20 0 FGADHM C[C@@H](CNC(=O)Cc1ccc([O-])cc1Cl)N1CCc2ccccc2C1 ZINC000136221137 495365539 /nfs/dbraw/zinc/36/55/39/495365539.db2.gz FCXICJFNKFHRMP-AWEZNQCLSA-N -1 3 358.869 3.151 20 0 FGADHM Cc1nc(C)c(CCC(=O)Nc2ccnc(Oc3ccccc3)c2)c(=O)[n-]1 ZINC000114356872 495365779 /nfs/dbraw/zinc/36/57/79/495365779.db2.gz TVERMAJQZZEEIN-UHFFFAOYSA-N -1 3 364.405 3.145 20 0 FGADHM O=C(Cc1ccc([O-])c(F)c1)N[C@H]1CCC[C@H]1Oc1cc(F)cc(F)c1 ZINC000571631705 505777826 /nfs/dbraw/zinc/77/78/26/505777826.db2.gz UUMRQKFUSYZMKA-FUHWJXTLSA-N -1 3 365.351 3.468 20 0 FGADHM Cc1cccc(C(=O)N[C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)c1[O-] ZINC000130357879 495379117 /nfs/dbraw/zinc/37/91/17/495379117.db2.gz MLGDHQDLRBOMNS-ZDUSSCGKSA-N -1 3 353.422 3.476 20 0 FGADHM COc1cc(C(=O)Nc2cccc(-c3nccn3C)c2)cc(OC)c1[O-] ZINC000136811525 495402955 /nfs/dbraw/zinc/40/29/55/495402955.db2.gz FGRMCCGBTUYXNH-UHFFFAOYSA-N -1 3 353.378 3.062 20 0 FGADHM O=C(CCNC(=O)c1ccsc1)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000125250430 495413973 /nfs/dbraw/zinc/41/39/73/495413973.db2.gz XWDMQURNAYSHGD-UHFFFAOYSA-N -1 3 358.341 3.231 20 0 FGADHM Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000130593742 495416104 /nfs/dbraw/zinc/41/61/04/495416104.db2.gz IAMGZZZUOSRTRA-MRXNPFEDSA-N -1 3 357.454 3.051 20 0 FGADHM Cc1nc(C)c(CC(=O)NCC2(c3cccc(F)c3)CCCCC2)c(=O)[n-]1 ZINC000130598679 495417000 /nfs/dbraw/zinc/41/70/00/495417000.db2.gz QFSYBKBQZYMXAM-UHFFFAOYSA-N -1 3 371.456 3.087 20 0 FGADHM Cc1oc(C(N)=O)cc1-c1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000114800421 495427399 /nfs/dbraw/zinc/42/73/99/495427399.db2.gz QXKINUZGUYKXQL-UHFFFAOYSA-N -1 3 357.391 3.077 20 0 FGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)[C@@H]1CCCc2sccc21 ZINC000137178809 495427516 /nfs/dbraw/zinc/42/75/16/495427516.db2.gz QXWMGUDRUYHKLG-GFCCVEGCSA-N -1 3 350.465 3.178 20 0 FGADHM CS(=O)(=O)c1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2[O-])cc1 ZINC000125338051 495429057 /nfs/dbraw/zinc/42/90/57/495429057.db2.gz HYMMEZNECWVRFH-UHFFFAOYSA-N -1 3 359.325 3.067 20 0 FGADHM Cc1cc(CCCC(=O)Nc2ccc(Cc3nnn[n-]3)cc2)c(C)s1 ZINC000120692735 495436536 /nfs/dbraw/zinc/43/65/36/495436536.db2.gz MHKDDRWKYCRHEP-UHFFFAOYSA-N -1 3 355.467 3.430 20 0 FGADHM Cc1cc(CCCC(=O)Nc2ccc(Cc3nn[n-]n3)cc2)c(C)s1 ZINC000120692735 495436538 /nfs/dbraw/zinc/43/65/38/495436538.db2.gz MHKDDRWKYCRHEP-UHFFFAOYSA-N -1 3 355.467 3.430 20 0 FGADHM O=C(N[C@@H]1CCCc2sccc21)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000137377281 495438685 /nfs/dbraw/zinc/43/86/85/495438685.db2.gz DETMAWALNZRVGE-CVEARBPZSA-N -1 3 370.474 3.252 20 0 FGADHM Cc1cc(O[C@H](C)C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)ccc1Cl ZINC000120737317 495446198 /nfs/dbraw/zinc/44/61/98/495446198.db2.gz LMFMPDBXXCXRSQ-GFCCVEGCSA-N -1 3 371.828 3.158 20 0 FGADHM Cc1cc(O[C@H](C)C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)ccc1Cl ZINC000120737317 495446201 /nfs/dbraw/zinc/44/62/01/495446201.db2.gz LMFMPDBXXCXRSQ-GFCCVEGCSA-N -1 3 371.828 3.158 20 0 FGADHM O=C(c1ccccc1[O-])N1CCN(Cc2ncc(-c3ccccc3)o2)CC1 ZINC000106402935 495452463 /nfs/dbraw/zinc/45/24/63/495452463.db2.gz LDRORDPIEGTIIV-UHFFFAOYSA-N -1 3 363.417 3.005 20 0 FGADHM Cc1ccc(OCCCC(=O)Nc2ccc(Cc3nnn[n-]3)cc2)c(C)c1 ZINC000120816257 495464034 /nfs/dbraw/zinc/46/40/34/495464034.db2.gz SDQDESNUIHUAGU-UHFFFAOYSA-N -1 3 365.437 3.205 20 0 FGADHM Cc1ccc(OCCCC(=O)Nc2ccc(Cc3nn[n-]n3)cc2)c(C)c1 ZINC000120816257 495464039 /nfs/dbraw/zinc/46/40/39/495464039.db2.gz SDQDESNUIHUAGU-UHFFFAOYSA-N -1 3 365.437 3.205 20 0 FGADHM C[C@@H]1[C@H](C)OCCN1Cc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000139108572 495473065 /nfs/dbraw/zinc/47/30/65/495473065.db2.gz CQFJOHNWKRHDRK-OLZOCXBDSA-N -1 3 355.463 3.261 20 0 FGADHM CCS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cc(C)ccc2Cl)c1 ZINC000131033729 495482316 /nfs/dbraw/zinc/48/23/16/495482316.db2.gz DAJDTMORFFDBQA-UHFFFAOYSA-N -1 3 373.883 3.243 20 0 FGADHM Cc1ccc([O-])c(C(=O)Nc2cccc(C[S@@](=O)C3CCOCC3)c2)c1 ZINC000115289911 495485632 /nfs/dbraw/zinc/48/56/32/495485632.db2.gz KCZHDKWLGQRLAV-SANMLTNESA-N -1 3 373.474 3.381 20 0 FGADHM COc1ccccc1[C@H](CNC(=O)c1c([O-])cccc1O)N1CCCCC1 ZINC000125704164 495485948 /nfs/dbraw/zinc/48/59/48/495485948.db2.gz MEUHEWNDCJONAX-INIZCTEOSA-N -1 3 370.449 3.063 20 0 FGADHM Cc1[nH]c(=S)sc1CC(=O)Nc1cccc(-c2nc(C)cc(=O)[n-]2)c1 ZINC000125713832 495486618 /nfs/dbraw/zinc/48/66/18/495486618.db2.gz OMUUDLWWCODQEN-UHFFFAOYSA-N -1 3 372.475 3.354 20 0 FGADHM Cc1noc2ncc(C(=O)[N-]c3nnc(Cc4ccc(F)cc4)s3)cc12 ZINC000106704622 495487006 /nfs/dbraw/zinc/48/70/06/495487006.db2.gz OIKSSWKVXZEJCQ-UHFFFAOYSA-N -1 3 369.381 3.365 20 0 FGADHM O=C(NCc1ccc(Oc2cccc(F)c2)nc1)c1c([O-])cccc1O ZINC000125755833 495494265 /nfs/dbraw/zinc/49/42/65/495494265.db2.gz UOQPFCCPVDJHQJ-UHFFFAOYSA-N -1 3 354.337 3.354 20 0 FGADHM CN(C[C@@H]1CCCOC1)C(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000131141028 495497277 /nfs/dbraw/zinc/49/72/77/495497277.db2.gz HTVRCDXPFAKUMP-KRWDZBQOSA-N -1 3 355.434 3.470 20 0 FGADHM Cc1ccc2cccc(C(=O)Nc3ccccc3[N-]S(C)(=O)=O)c2n1 ZINC000131159332 495500873 /nfs/dbraw/zinc/50/08/73/495500873.db2.gz GJPICXKXVRHEBM-UHFFFAOYSA-N -1 3 355.419 3.167 20 0 FGADHM Cc1ccc(C(=O)Nc2cccn(Cc3ccc(F)cc3)c2=O)c([O-])c1 ZINC000121040406 495509427 /nfs/dbraw/zinc/50/94/27/495509427.db2.gz VQGSSTKUUHOWHC-UHFFFAOYSA-N -1 3 352.365 3.302 20 0 FGADHM C[C@@H]1CCC[C@@H](CCNC(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)C1 ZINC000115488726 495510514 /nfs/dbraw/zinc/51/05/14/495510514.db2.gz NAMRWYWOBSSWPA-OLZOCXBDSA-N -1 3 356.463 3.143 20 0 FGADHM O=C(CCc1cc(Br)cs1)Nc1nc(-c2ccco2)n[n-]1 ZINC000107344504 495525682 /nfs/dbraw/zinc/52/56/82/495525682.db2.gz VFIIGHLEXQEMDH-UHFFFAOYSA-N -1 3 367.228 3.460 20 0 FGADHM O=C(CCc1cc(Br)cs1)Nc1n[n-]c(-c2ccco2)n1 ZINC000107344504 495525683 /nfs/dbraw/zinc/52/56/83/495525683.db2.gz VFIIGHLEXQEMDH-UHFFFAOYSA-N -1 3 367.228 3.460 20 0 FGADHM C[C@H](Cc1nc2ccccc2s1)[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000121057630 495514612 /nfs/dbraw/zinc/51/46/12/495514612.db2.gz AXXYKARPASOINZ-SNVBAGLBSA-N -1 3 368.430 3.484 20 0 FGADHM Cc1ccc2c(c1)[C@H]([N-]S(=O)(=O)c1ccc(OC(F)F)c(F)c1)CO2 ZINC000568830975 505787011 /nfs/dbraw/zinc/78/70/11/505787011.db2.gz 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Cc1cccc(C(=O)N2CCC(NC(=O)Oc3ccccc3)CC2)c1[O-] ZINC000171299765 495810998 /nfs/dbraw/zinc/81/09/98/495810998.db2.gz AFHRSIOESLVAAU-UHFFFAOYSA-N -1 3 354.406 3.094 20 0 FGADHM CN(Cc1ccc([S@](C)=O)cc1)C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000183047730 495812578 /nfs/dbraw/zinc/81/25/78/495812578.db2.gz OXAMXKJEQCWQJS-VWLOTQADSA-N -1 3 357.475 3.281 20 0 FGADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1csc(Cc2cccc(F)c2)n1 ZINC000183082384 495826394 /nfs/dbraw/zinc/82/63/94/495826394.db2.gz CFAKWSCHUZRGJA-UHFFFAOYSA-N -1 3 371.319 3.262 20 0 FGADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1csc(Cc2cccc(F)c2)n1 ZINC000183082384 495826397 /nfs/dbraw/zinc/82/63/97/495826397.db2.gz CFAKWSCHUZRGJA-UHFFFAOYSA-N -1 3 371.319 3.262 20 0 FGADHM CC(C)(C)O[C@H](C(=O)Nc1nnc(-c2ccccn2)[n-]1)c1ccccc1 ZINC000151437005 495839604 /nfs/dbraw/zinc/83/96/04/495839604.db2.gz ROKRCSJRLGQGGG-HNNXBMFYSA-N -1 3 351.410 3.362 20 0 FGADHM CC(C)(C)O[C@H](C(=O)Nc1nc(-c2ccccn2)n[n-]1)c1ccccc1 ZINC000151437005 495839606 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CN(C(=O)c1ccc(Cl)cc1[O-])C1CCN(CCc2ccccn2)CC1 ZINC000155256767 495893873 /nfs/dbraw/zinc/89/38/73/495893873.db2.gz IDCDVADRXQAQCX-UHFFFAOYSA-N -1 3 373.884 3.220 20 0 FGADHM O=C(Nc1ccc([O-])cc1F)[C@@H]1CCCN1c1ncnc2sccc21 ZINC000183240535 495894912 /nfs/dbraw/zinc/89/49/12/495894912.db2.gz SYCFPUZJCIKVIF-AWEZNQCLSA-N -1 3 358.398 3.144 20 0 FGADHM CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)Nc1ccc([O-])cc1F ZINC000183252603 495901104 /nfs/dbraw/zinc/90/11/04/495901104.db2.gz LWRZNENBQCDSOH-INIZCTEOSA-N -1 3 366.339 3.203 20 0 FGADHM O=C(Nc1ccc([O-])cc1F)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000183280742 495914102 /nfs/dbraw/zinc/91/41/02/495914102.db2.gz ACOZCKIBCOLUAR-ZDUSSCGKSA-N -1 3 360.360 3.161 20 0 FGADHM O=C(CCCc1csc2ccccc12)Nc1nnc(SCCO)[n-]1 ZINC000155314449 495915132 /nfs/dbraw/zinc/91/51/32/495915132.db2.gz VFIMIGKHRNXODD-UHFFFAOYSA-N -1 3 362.480 3.065 20 0 FGADHM O=C(CCCc1csc2ccccc12)Nc1nc(SCCO)n[n-]1 ZINC000155314449 495915138 /nfs/dbraw/zinc/91/51/38/495915138.db2.gz VFIMIGKHRNXODD-UHFFFAOYSA-N -1 3 362.480 3.065 20 0 FGADHM O=C(CCCc1csc2ccccc12)Nc1n[n-]c(SCCO)n1 ZINC000155314449 495915146 /nfs/dbraw/zinc/91/51/46/495915146.db2.gz VFIMIGKHRNXODD-UHFFFAOYSA-N -1 3 362.480 3.065 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCCCO1)C1CC1 ZINC000186257167 495917650 /nfs/dbraw/zinc/91/76/50/495917650.db2.gz BYZJGJMNDULYFM-DOMZBBRYSA-N -1 3 373.902 3.365 20 0 FGADHM CCOc1ccc(C(=O)NCC(=O)N2CC[C@H](C)c3cccc([O-])c32)cc1 ZINC000186264538 495919124 /nfs/dbraw/zinc/91/91/24/495919124.db2.gz NDEFPIYQWHHXRI-AWEZNQCLSA-N -1 3 368.433 3.061 20 0 FGADHM CC(=O)Nc1cccc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)c1C ZINC000155333657 495923133 /nfs/dbraw/zinc/92/31/33/495923133.db2.gz JVEIKYNXGYKFIU-UHFFFAOYSA-N -1 3 367.380 3.495 20 0 FGADHM C[C@@H]1CCN(C(=O)CNC(=O)c2cccc(Cl)c2)c2c([O-])cccc21 ZINC000186276436 495924715 /nfs/dbraw/zinc/92/47/15/495924715.db2.gz KNUHIUFPTUECPE-GFCCVEGCSA-N -1 3 358.825 3.316 20 0 FGADHM CCc1cc(=O)[n-]c(CN2CCC[C@H](c3nc4c(s3)CCCC4)C2)n1 ZINC000155337327 495925648 /nfs/dbraw/zinc/92/56/48/495925648.db2.gz IKHMZVUFLYMBJG-ZDUSSCGKSA-N -1 3 358.511 3.460 20 0 FGADHM C[C@H]1CCN(C(=O)CCCc2ccc3[nH]c(=O)[nH]c3c2)c2c([O-])cccc21 ZINC000186282755 495927794 /nfs/dbraw/zinc/92/77/94/495927794.db2.gz BYSXXKHYHBODAL-ZDUSSCGKSA-N -1 3 365.433 3.425 20 0 FGADHM C[C@H]1CCN(C(=O)CCn2cnc3ccccc3c2=O)c2c([O-])cccc21 ZINC000186289439 495930390 /nfs/dbraw/zinc/93/03/90/495930390.db2.gz LCRHNPOKAXQEBE-AWEZNQCLSA-N -1 3 363.417 3.033 20 0 FGADHM C[C@@H]1CCN(C(=O)c2ccnc(O[C@@H]3CCOC3)c2)c2c([O-])cccc21 ZINC000186322902 495946618 /nfs/dbraw/zinc/94/66/18/495946618.db2.gz ZARJUEJYXKFAPY-UKRRQHHQSA-N -1 3 354.406 3.109 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-][C@H](C)c2ccc3c(c2)CCC(=O)N3)c(F)c1 ZINC000171630450 495956428 /nfs/dbraw/zinc/95/64/28/495956428.db2.gz QMSHPELVNWWHRM-GFCCVEGCSA-N -1 3 362.426 3.058 20 0 FGADHM O=C(Nc1ccccc1OC[C@H]1CCCCO1)c1cccc2nn[n-]c21 ZINC000183476962 496001427 /nfs/dbraw/zinc/00/14/27/496001427.db2.gz SMTUGYTUVWINBR-CYBMUJFWSA-N -1 3 352.394 3.158 20 0 FGADHM O=C(Nc1ccccc1OC[C@H]1CCCCO1)c1cccc2[n-]nnc21 ZINC000183476962 496001429 /nfs/dbraw/zinc/00/14/29/496001429.db2.gz SMTUGYTUVWINBR-CYBMUJFWSA-N -1 3 352.394 3.158 20 0 FGADHM O=C(Nc1ccccc1OC[C@H]1CCCCO1)c1cccc2n[n-]nc21 ZINC000183476962 496001432 /nfs/dbraw/zinc/00/14/32/496001432.db2.gz SMTUGYTUVWINBR-CYBMUJFWSA-N -1 3 352.394 3.158 20 0 FGADHM CCc1ccc(CC)c(NC(=O)c2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)c1 ZINC000155584882 496003499 /nfs/dbraw/zinc/00/34/99/496003499.db2.gz OPMWVVHZXARXCF-OAQYLSRUSA-N -1 3 365.433 3.118 20 0 FGADHM O=C(c1ccc(Cl)c(N2CCNC2=O)c1)N1CCCc2cccc([O-])c21 ZINC000155590838 496005288 /nfs/dbraw/zinc/00/52/88/496005288.db2.gz CRPNYXUNKLBPHC-UHFFFAOYSA-N -1 3 371.824 3.168 20 0 FGADHM CC[C@@H](C)Oc1cc(C(=O)[N-]n2cnc3sc(C)c(C)c3c2=O)ccn1 ZINC000183501185 496012204 /nfs/dbraw/zinc/01/22/04/496012204.db2.gz NZDDZEZDVBJAON-SNVBAGLBSA-N -1 3 372.450 3.031 20 0 FGADHM COc1ccc(Sc2nsc([N-]C(=O)c3ccncc3F)n2)cc1 ZINC000177333695 496021954 /nfs/dbraw/zinc/02/19/54/496021954.db2.gz SDVRBFVPPJHBGC-UHFFFAOYSA-N -1 3 362.411 3.484 20 0 FGADHM O=S(=O)([N-][C@@H](c1ccccc1)c1cccnc1)c1ccc(Cl)nc1 ZINC000171768598 496028323 /nfs/dbraw/zinc/02/83/23/496028323.db2.gz XAODNYCWJFXGIJ-KRWDZBQOSA-N -1 3 359.838 3.198 20 0 FGADHM COC(=O)[C@@](C)([N-]C(=O)CC(F)(F)F)c1ccc(Cl)c(Cl)c1 ZINC000186550591 496040537 /nfs/dbraw/zinc/04/05/37/496040537.db2.gz XVXQIRGNYAJUNS-LBPRGKRZSA-N -1 3 358.143 3.450 20 0 FGADHM CC(C)c1nc2c([nH]1)C[C@@H](C(=O)N=c1cc(-c3cccs3)[n-][nH]1)CC2 ZINC000577927721 505819606 /nfs/dbraw/zinc/81/96/06/505819606.db2.gz KCQLOHHTLAMFGJ-NSHDSACASA-N -1 3 355.467 3.150 20 0 FGADHM CC(C)c1nc2c([nH]1)CC[C@H](C(=O)N=c1cc(-c3cccs3)[n-][nH]1)C2 ZINC000577927721 505819608 /nfs/dbraw/zinc/81/96/08/505819608.db2.gz KCQLOHHTLAMFGJ-NSHDSACASA-N -1 3 355.467 3.150 20 0 FGADHM O=C(c1ccc2c(c1[O-])CCCC2)N1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000183606810 496045873 /nfs/dbraw/zinc/04/58/73/496045873.db2.gz DHXUQHMYVRFDJB-HNNXBMFYSA-N -1 3 366.465 3.286 20 0 FGADHM C[C@H](NC(=O)Cc1csc(NC(=O)c2cccc([O-])c2)n1)C1CCCC1 ZINC000177409686 496051849 /nfs/dbraw/zinc/05/18/49/496051849.db2.gz JALLSXADTHTXFJ-LBPRGKRZSA-N -1 3 373.478 3.338 20 0 FGADHM Cc1c(F)cccc1S(=O)(=O)[N-]c1cc2c(cc1Cl)OCCO2 ZINC000174667505 496052516 /nfs/dbraw/zinc/05/25/16/496052516.db2.gz MSOZGXNJKUHGJB-UHFFFAOYSA-N -1 3 357.790 3.360 20 0 FGADHM COc1cccc(C(=O)N[C@H](c2noc(C)n2)c2ccc(Cl)cc2)c1[O-] ZINC000180622191 496072217 /nfs/dbraw/zinc/07/22/17/496072217.db2.gz DVJDEBREOQQENK-HNNXBMFYSA-N -1 3 373.796 3.265 20 0 FGADHM Cc1nc(CC[N-]S(=O)(=O)c2cc(C)c(F)cc2Cl)sc1C ZINC000152181736 496072793 /nfs/dbraw/zinc/07/27/93/496072793.db2.gz XBKJRRUZRDSGRW-UHFFFAOYSA-N -1 3 362.879 3.382 20 0 FGADHM C[C@@H]1CN(C(=O)c2c[n-]c3ccccc3c2=O)C[C@H](c2ccsc2)O1 ZINC000155877130 496094450 /nfs/dbraw/zinc/09/44/50/496094450.db2.gz RCUGIHDQAWNBHE-SJKOYZFVSA-N -1 3 354.431 3.192 20 0 FGADHM CCc1noc(CC)c1C[N-]S(=O)(=O)c1cccc(Br)c1 ZINC000156026034 496136659 /nfs/dbraw/zinc/13/66/59/496136659.db2.gz WJHHBXQLPYPETN-UHFFFAOYSA-N -1 3 373.272 3.040 20 0 FGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(Br)cc1C ZINC000174891299 496152865 /nfs/dbraw/zinc/15/28/65/496152865.db2.gz NRJLTXVPKKPXDL-UHFFFAOYSA-N -1 3 368.256 3.123 20 0 FGADHM CCC[C@@H](C)[C@@H]1CCCN1C(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000156087719 496154648 /nfs/dbraw/zinc/15/46/48/496154648.db2.gz OYGSHGCYQNNANY-WBMJQRKESA-N -1 3 356.463 3.238 20 0 FGADHM CN(C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)C1CCCCC1 ZINC000180826485 496160971 /nfs/dbraw/zinc/16/09/71/496160971.db2.gz RYGJDSXCDKKZJK-UHFFFAOYSA-N -1 3 369.462 3.063 20 0 FGADHM CCn1ccnc1Cc1nc(=O)c2c(-c3ccc(OC)cc3)csc2[n-]1 ZINC000156122335 496164229 /nfs/dbraw/zinc/16/42/29/496164229.db2.gz UJBUARUIBLGORP-UHFFFAOYSA-N -1 3 366.446 3.467 20 0 FGADHM O=C([O-])c1ccccc1OCCN1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000183930049 496165600 /nfs/dbraw/zinc/16/56/00/496165600.db2.gz JFAMJOJSEZEURD-ZBFHGGJFSA-N -1 3 361.463 3.413 20 0 FGADHM CCCc1coc([N-]C(=O)c2ncoc2-c2ccc3c(c2)OCCO3)n1 ZINC000568998358 505827500 /nfs/dbraw/zinc/82/75/00/505827500.db2.gz UXHPDTBLQDCZEK-UHFFFAOYSA-N -1 3 355.350 3.306 20 0 FGADHM Cc1cc(C)c(NC(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)c(C)c1 ZINC000177727717 496174744 /nfs/dbraw/zinc/17/47/44/496174744.db2.gz QXEBTUVEPCSNTP-AWEZNQCLSA-N -1 3 364.442 3.056 20 0 FGADHM Cc1nc(S(=O)(=O)[C@H](C)c2nc(C(C)C)no2)[n-]c1-c1ccccc1 ZINC000186855532 496182440 /nfs/dbraw/zinc/18/24/40/496182440.db2.gz YTNYRGXOAMDFIS-GFCCVEGCSA-N -1 3 360.439 3.426 20 0 FGADHM CC(C)Cn1cnc(S(=O)(=O)[N-][C@H]2CCSc3ccc(F)cc32)c1 ZINC000174966033 496185277 /nfs/dbraw/zinc/18/52/77/496185277.db2.gz VMQQXWWCMDRYDN-AWEZNQCLSA-N -1 3 369.487 3.194 20 0 FGADHM CC(C)Cn1cnc(S(=O)(=O)[N-][C@@H]2CCSc3ccc(F)cc32)c1 ZINC000174966016 496185442 /nfs/dbraw/zinc/18/54/42/496185442.db2.gz VMQQXWWCMDRYDN-CQSZACIVSA-N -1 3 369.487 3.194 20 0 FGADHM C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CS(=O)(=O)c1cccc([O-])c1 ZINC000183988483 496189056 /nfs/dbraw/zinc/18/90/56/496189056.db2.gz PQYQEJOYOZZFGJ-GFCCVEGCSA-N -1 3 367.854 3.039 20 0 FGADHM CCN(C(=O)CS(=O)(=O)c1cccc([O-])c1)c1cccc2ccccc21 ZINC000183997417 496193363 /nfs/dbraw/zinc/19/33/63/496193363.db2.gz SILMUHHQHHXQPO-UHFFFAOYSA-N -1 3 369.442 3.372 20 0 FGADHM CCOC(=O)c1sc([N-]C(=O)c2snnc2CC)nc1C(C)C ZINC000156234319 496194031 /nfs/dbraw/zinc/19/40/31/496194031.db2.gz WGIZVNOHOTYACE-UHFFFAOYSA-N -1 3 354.457 3.109 20 0 FGADHM Cc1[nH]nc2ncc([N-]S(=O)(=O)Cc3cccc(C(F)(F)F)c3)cc12 ZINC000180916256 496198862 /nfs/dbraw/zinc/19/88/62/496198862.db2.gz IVKWDOUZLXJBRD-UHFFFAOYSA-N -1 3 370.356 3.227 20 0 FGADHM COC(=O)C(C)(C)c1ccc(NC(=O)c2cc(-c3ccco3)[n-]n2)cc1 ZINC000152608518 496200640 /nfs/dbraw/zinc/20/06/40/496200640.db2.gz FYZKNTXYFDQRRW-UHFFFAOYSA-N -1 3 353.378 3.373 20 0 FGADHM COC(=O)C(C)(C)c1ccc(NC(=O)c2cc(-c3ccco3)n[n-]2)cc1 ZINC000152608518 496200648 /nfs/dbraw/zinc/20/06/48/496200648.db2.gz FYZKNTXYFDQRRW-UHFFFAOYSA-N -1 3 353.378 3.373 20 0 FGADHM CCOC(=O)c1cc(NC(=O)c2cc(C3CC3)nc3ccc(F)cc32)n[n-]1 ZINC000180923764 496201681 /nfs/dbraw/zinc/20/16/81/496201681.db2.gz LPMSFWKWKWZRIV-UHFFFAOYSA-N -1 3 368.368 3.403 20 0 FGADHM CCOC(=O)c1cc(NC(=O)c2cc(C3CC3)nc3ccc(F)cc32)[n-]n1 ZINC000180923764 496201685 /nfs/dbraw/zinc/20/16/85/496201685.db2.gz LPMSFWKWKWZRIV-UHFFFAOYSA-N -1 3 368.368 3.403 20 0 FGADHM CCOC(=O)c1cc(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)n[n-]1 ZINC000180924809 496201786 /nfs/dbraw/zinc/20/17/86/496201786.db2.gz SCPQRMWHVXYXKO-UHFFFAOYSA-N -1 3 360.757 3.147 20 0 FGADHM CCOC(=O)c1cc(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)[n-]n1 ZINC000180924809 496201792 /nfs/dbraw/zinc/20/17/92/496201792.db2.gz SCPQRMWHVXYXKO-UHFFFAOYSA-N -1 3 360.757 3.147 20 0 FGADHM CCOC(=O)c1cc(NC(=O)[C@@H](C)CSc2ccc(F)cc2)n[n-]1 ZINC000180926218 496202762 /nfs/dbraw/zinc/20/27/62/496202762.db2.gz XDWQJDHDDAPERF-JTQLQIEISA-N -1 3 351.403 3.092 20 0 FGADHM CCOC(=O)c1cc(NC(=O)[C@@H](C)CSc2ccc(F)cc2)[n-]n1 ZINC000180926218 496202767 /nfs/dbraw/zinc/20/27/67/496202767.db2.gz XDWQJDHDDAPERF-JTQLQIEISA-N -1 3 351.403 3.092 20 0 FGADHM C[C@H](OC1CCCCCC1)C(=O)Nc1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000177819621 496209389 /nfs/dbraw/zinc/20/93/89/496209389.db2.gz VMKIBHXKCJRMDN-LBPRGKRZSA-N -1 3 372.462 3.264 20 0 FGADHM CCOc1nc2cc(C(=O)NC(C)(C)C(=O)c3ccccc3)ccc2[n-]1 ZINC000574678347 505830214 /nfs/dbraw/zinc/83/02/14/505830214.db2.gz RKBSTYHJWZSYPT-UHFFFAOYSA-N -1 3 351.406 3.353 20 0 FGADHM CCOc1nc2ccc(C(=O)NC(C)(C)C(=O)c3ccccc3)cc2[n-]1 ZINC000574678347 505830217 /nfs/dbraw/zinc/83/02/17/505830217.db2.gz RKBSTYHJWZSYPT-UHFFFAOYSA-N -1 3 351.406 3.353 20 0 FGADHM CN(C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C1CCC1 ZINC000184057145 496221444 /nfs/dbraw/zinc/22/14/44/496221444.db2.gz WLLQTWDHZGFEMP-LJQANCHMSA-N -1 3 352.434 3.264 20 0 FGADHM C[C@H](CCC1CCCCC1)NC(=O)c1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000177860884 496228408 /nfs/dbraw/zinc/22/84/08/496228408.db2.gz VLHOOGOHBIPYGM-SPLOXXLWSA-N -1 3 371.481 3.220 20 0 FGADHM COc1cc(C)c([C@H](C)NC(=O)NCc2ccc([O-])c(F)c2)cc1OC ZINC000156421986 496240967 /nfs/dbraw/zinc/24/09/67/496240967.db2.gz YFZCVZCALAGIHX-LBPRGKRZSA-N -1 3 362.401 3.417 20 0 FGADHM Cn1cnc(-c2ccc(C(=O)Nc3cc(Br)ccc3[O-])cc2)n1 ZINC000184134227 496253337 /nfs/dbraw/zinc/25/33/37/496253337.db2.gz DHECQUAFBAGQBQ-UHFFFAOYSA-N -1 3 373.210 3.203 20 0 FGADHM C[C@H]1CC[C@H](C(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)CC1 ZINC000574694940 505833681 /nfs/dbraw/zinc/83/36/81/505833681.db2.gz VAVJCIYUKSXZPE-HAQNSBGRSA-N -1 3 354.447 3.031 20 0 FGADHM CCc1cc(=O)[n-]c(CS[C@@H](C)C(=O)Nc2c(F)cccc2F)n1 ZINC000177971915 496271560 /nfs/dbraw/zinc/27/15/60/496271560.db2.gz MCCJUCJCFUXDTF-VIFPVBQESA-N -1 3 353.394 3.283 20 0 FGADHM O=C(Cc1noc2ccccc21)NCc1ccc([O-])c(Br)c1 ZINC000156535109 496272934 /nfs/dbraw/zinc/27/29/34/496272934.db2.gz WBVCYWWYUOGLHC-UHFFFAOYSA-N -1 3 361.195 3.155 20 0 FGADHM CCCOc1ncccc1C[N-]S(=O)(=O)c1ccccc1SC ZINC000187068586 496278068 /nfs/dbraw/zinc/27/80/68/496278068.db2.gz 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/nfs/dbraw/zinc/52/00/50/496520050.db2.gz XYPKKWSJXZFYRK-UHFFFAOYSA-N -1 3 370.796 3.344 20 0 FGADHM O=C(C1CCN(Cc2cc([O-])ccc2Br)CC1)C(F)(F)F ZINC000187654080 496522784 /nfs/dbraw/zinc/52/27/84/496522784.db2.gz AYVIYFVELJRFGI-UHFFFAOYSA-N -1 3 366.177 3.498 20 0 FGADHM CCOC(=O)c1cc(NC(=O)[C@@H](CC)Oc2ccccc2Cl)n[n-]1 ZINC000181750149 496527730 /nfs/dbraw/zinc/52/77/30/496527730.db2.gz XLWBCVDSXZBVCW-GFCCVEGCSA-N -1 3 351.790 3.036 20 0 FGADHM CCOC(=O)c1cc(NC(=O)[C@@H](CC)Oc2ccccc2Cl)[n-]n1 ZINC000181750149 496527735 /nfs/dbraw/zinc/52/77/35/496527735.db2.gz XLWBCVDSXZBVCW-GFCCVEGCSA-N -1 3 351.790 3.036 20 0 FGADHM O=C(Cc1cccc2ccccc21)NCC(=O)Nc1ccc(Cl)cc1[O-] ZINC000153654420 496534354 /nfs/dbraw/zinc/53/43/54/496534354.db2.gz XXJPZJWFHGGNLV-UHFFFAOYSA-N -1 3 368.820 3.496 20 0 FGADHM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(OC)cc1Cl)[C@@H]1CCCO1 ZINC000157705904 496534502 /nfs/dbraw/zinc/53/45/02/496534502.db2.gz QVBMKSMSNXXBPW-NEPJUHHUSA-N -1 3 368.282 3.238 20 0 FGADHM COCCN(CCCc1ccccc1)C(=O)NCc1ccc([O-])c(F)c1 ZINC000163685483 496546890 /nfs/dbraw/zinc/54/68/90/496546890.db2.gz NOJBQJVZLBKLHT-UHFFFAOYSA-N -1 3 360.429 3.322 20 0 FGADHM Cc1ccccc1O[C@@H]1CCCC[C@@H]1NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000571940771 505850694 /nfs/dbraw/zinc/85/06/94/505850694.db2.gz RTHYBTLMDZUBNP-MAUKXSAKSA-N -1 3 367.449 3.488 20 0 FGADHM CC[C@@H](CNC(=O)NCc1ccc([O-])c(F)c1)Oc1ccccc1F ZINC000175795916 496548721 /nfs/dbraw/zinc/54/87/21/496548721.db2.gz HFCSPFHEXFPGCV-ZDUSSCGKSA-N -1 3 350.365 3.327 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)c3csc(-c4ccoc4)n3)[n-]c21 ZINC000157772294 496551098 /nfs/dbraw/zinc/55/10/98/496551098.db2.gz SWFGHNOWSZIFPA-UHFFFAOYSA-N -1 3 368.374 3.318 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3csc(-c4ccoc4)n3)nc21 ZINC000157772294 496551104 /nfs/dbraw/zinc/55/11/04/496551104.db2.gz SWFGHNOWSZIFPA-UHFFFAOYSA-N -1 3 368.374 3.318 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)N1CCC[C@H]1c1cccc2c1OCCO2 ZINC000163789154 496558766 /nfs/dbraw/zinc/55/87/66/496558766.db2.gz CKHQSSFYSBHORM-INIZCTEOSA-N -1 3 372.396 3.349 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)c3cccc(Br)c3)[n-]c21 ZINC000157803387 496559244 /nfs/dbraw/zinc/55/92/44/496559244.db2.gz FUZLAKWSKZZOCJ-UHFFFAOYSA-N -1 3 374.194 3.364 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cccc(Br)c3)nc21 ZINC000157803387 496559252 /nfs/dbraw/zinc/55/92/52/496559252.db2.gz FUZLAKWSKZZOCJ-UHFFFAOYSA-N -1 3 374.194 3.364 20 0 FGADHM C[C@@]1(C(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)CC1(Cl)Cl ZINC000178776571 496566443 /nfs/dbraw/zinc/56/64/43/496566443.db2.gz OQILIGKERDUNQV-INIZCTEOSA-N -1 3 371.264 3.153 20 0 FGADHM Cc1cc2cc(C(=O)NCCCNC(=O)c3cccc([O-])c3)oc2cc1C ZINC000175856438 496574370 /nfs/dbraw/zinc/57/43/70/496574370.db2.gz XGHSQWAMTBSZKD-UHFFFAOYSA-N -1 3 366.417 3.305 20 0 FGADHM O=C(NCc1ccc(F)cc1)NCc1ccc([O-])c(Br)c1 ZINC000153781009 496578120 /nfs/dbraw/zinc/57/81/20/496578120.db2.gz LTFIYYLNBBPDPE-UHFFFAOYSA-N -1 3 353.191 3.293 20 0 FGADHM CCc1c(C(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)cnn1-c1ccccc1 ZINC000181884200 496585872 /nfs/dbraw/zinc/58/58/72/496585872.db2.gz YTQFYPULPHBXEF-UHFFFAOYSA-N -1 3 362.393 3.374 20 0 FGADHM CCc1c(C(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)cnn1-c1ccccc1 ZINC000181884200 496585879 /nfs/dbraw/zinc/58/58/79/496585879.db2.gz YTQFYPULPHBXEF-UHFFFAOYSA-N -1 3 362.393 3.374 20 0 FGADHM CCc1c(C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)cnn1-c1ccccc1 ZINC000181884200 496585884 /nfs/dbraw/zinc/58/58/84/496585884.db2.gz YTQFYPULPHBXEF-UHFFFAOYSA-N -1 3 362.393 3.374 20 0 FGADHM COc1ccc(OC)c([C@H]2C[C@H]2C(=O)N2CCCc3cccc([O-])c32)c1 ZINC000187834975 496588905 /nfs/dbraw/zinc/58/89/05/496588905.db2.gz KZSQVEWDIRKGLK-NVXWUHKLSA-N -1 3 353.418 3.492 20 0 FGADHM C[C@H](CC(=O)Nc1cc(-c2nccn2C)[n-]n1)C(=O)c1ccc(Cl)cc1 ZINC000181901509 496592837 /nfs/dbraw/zinc/59/28/37/496592837.db2.gz GWKVWCUEZCSBEQ-LLVKDONJSA-N -1 3 371.828 3.311 20 0 FGADHM C[C@H](CC(=O)Nc1cc(-c2nccn2C)n[n-]1)C(=O)c1ccc(Cl)cc1 ZINC000181901509 496592839 /nfs/dbraw/zinc/59/28/39/496592839.db2.gz GWKVWCUEZCSBEQ-LLVKDONJSA-N -1 3 371.828 3.311 20 0 FGADHM O=C(Cc1ccc([O-])cc1Cl)N[C@@H](CN1CCCC1=O)c1ccccc1 ZINC000153829758 496593499 /nfs/dbraw/zinc/59/34/99/496593499.db2.gz OBUDPJNLYXOVIG-SFHVURJKSA-N -1 3 372.852 3.068 20 0 FGADHM CCc1ccc(C(=O)N2CCN(C(=O)Nc3ccc(C)cc3)CC2)c([O-])c1 ZINC000187845780 496593597 /nfs/dbraw/zinc/59/35/97/496593597.db2.gz UGRPBKQLEQUTIM-UHFFFAOYSA-N -1 3 367.449 3.253 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1F)c1ccc(-n2cccn2)cc1 ZINC000173231664 496604579 /nfs/dbraw/zinc/60/45/79/496604579.db2.gz ZKNQCMNNBDHPML-GFCCVEGCSA-N -1 3 363.389 3.190 20 0 FGADHM Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)CN1CCC[C@@H](C(=O)[O-])C1 ZINC000164583662 496620766 /nfs/dbraw/zinc/62/07/66/496620766.db2.gz YJLSZYBHIICTSL-QGZVFWFLSA-N -1 3 374.525 3.056 20 0 FGADHM C[C@H](NC(=O)[C@H](C)N1CCC[C@H](C(=O)[O-])C1)c1ccc(Cl)cc1Cl ZINC000164588388 496621046 /nfs/dbraw/zinc/62/10/46/496621046.db2.gz MQTAHSAUBZDVOT-SRVKXCTJSA-N -1 3 373.280 3.356 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N3CCS[C@H]4CCCC[C@H]43)c[n-]c12 ZINC000158083006 496622861 /nfs/dbraw/zinc/62/28/61/496622861.db2.gz ZLBDTKWXRMTBRF-CVEARBPZSA-N -1 3 360.454 3.476 20 0 FGADHM O=C(Nc1cc(-c2ccc(OC(F)F)cc2)no1)c1ccc2n[n-]nc2c1 ZINC000175970674 496623594 /nfs/dbraw/zinc/62/35/94/496623594.db2.gz IDNXVQHGMHCMBJ-UHFFFAOYSA-N -1 3 371.303 3.467 20 0 FGADHM COC[C@@H]([N-]S(=O)(=O)C1=Cc2ccccc2OCC1)c1ccc(C)o1 ZINC000185017057 496623864 /nfs/dbraw/zinc/62/38/64/496623864.db2.gz CHFWUKKOLXCIFG-MRXNPFEDSA-N -1 3 363.435 3.019 20 0 FGADHM Cc1cccc2cc(C(=O)NCCCNC(=O)c3cccc([O-])c3)sc21 ZINC000571959466 505855644 /nfs/dbraw/zinc/85/56/44/505855644.db2.gz AQBXBAYAETXTJU-UHFFFAOYSA-N -1 3 368.458 3.465 20 0 FGADHM C[C@H]1C[C@@H](CC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)CCO1 ZINC000574788884 505856002 /nfs/dbraw/zinc/85/60/02/505856002.db2.gz LRUMOIIGVYELPA-QWRGUYRKSA-N -1 3 352.283 3.477 20 0 FGADHM Cc1csc(C(C)(C)[N-]S(=O)(=O)c2ccc(C(F)(F)F)nc2)n1 ZINC000182009662 496633353 /nfs/dbraw/zinc/63/33/53/496633353.db2.gz WNBGCBYHKHIPNP-UHFFFAOYSA-N -1 3 365.402 3.079 20 0 FGADHM COCCCN1Cc2cccc([N-]S(=O)(=O)c3ccc(C)cc3C)c2C1 ZINC000182017079 496636976 /nfs/dbraw/zinc/63/69/76/496636976.db2.gz MDONLVZKCVJUIX-UHFFFAOYSA-N -1 3 374.506 3.456 20 0 FGADHM O=C(NCCc1ccccc1OC(F)F)c1c[n-]c2ccccc2c1=O ZINC000188036848 496658071 /nfs/dbraw/zinc/65/80/71/496658071.db2.gz JWRKQHAZJPVHLY-UHFFFAOYSA-N -1 3 358.344 3.102 20 0 FGADHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(C(C)(C)C(N)=O)cc2)c(C)c1 ZINC000158239699 496658394 /nfs/dbraw/zinc/65/83/94/496658394.db2.gz CBVDGCVTWFIZGG-UHFFFAOYSA-N -1 3 360.479 3.176 20 0 FGADHM CC[C@H]1CN(C(=O)c2c[n-]c3c(C)cccc3c2=O)CCN1CC(F)F ZINC000165442695 496658809 /nfs/dbraw/zinc/65/88/09/496658809.db2.gz QMTLTJIWYMYWQH-ZDUSSCGKSA-N -1 3 363.408 3.050 20 0 FGADHM Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)c1cccc([O-])c1 ZINC000182073702 496659294 /nfs/dbraw/zinc/65/92/94/496659294.db2.gz DHULJOAVTBNKJP-UHFFFAOYSA-N -1 3 352.312 3.245 20 0 FGADHM Cc1ccc(-c2ccc(C(=O)N3CCc4nc[n-]c(=O)c4C3)c(F)c2)cc1 ZINC000179058721 496660979 /nfs/dbraw/zinc/66/09/79/496660979.db2.gz NWYCPZBMMKKFTM-UHFFFAOYSA-N -1 3 363.392 3.083 20 0 FGADHM Cc1cc([N-]S(=O)(=O)c2csc3ccc(Cl)cc32)c[nH]c1=O ZINC000158290949 496668846 /nfs/dbraw/zinc/66/88/46/496668846.db2.gz KJERBVPFBJILFQ-UHFFFAOYSA-N -1 3 354.840 3.352 20 0 FGADHM COC(=O)c1cc(S(=O)(=O)[N-][C@H](C)c2ccccc2Cl)c(C)o1 ZINC000166910336 496695115 /nfs/dbraw/zinc/69/51/15/496695115.db2.gz KHOPVIQUEILFNY-SECBINFHSA-N -1 3 357.815 3.068 20 0 FGADHM CC1(C)CN(C(=O)Cc2ccc([O-])cc2Cl)C[C@@H](C(F)(F)F)O1 ZINC000569135266 505860551 /nfs/dbraw/zinc/86/05/51/505860551.db2.gz KQZHQOMIIPSYLL-LBPRGKRZSA-N -1 3 351.752 3.156 20 0 FGADHM COCCCOc1ccc(C(=O)Nc2n[n-]c(-c3ccccc3F)n2)cc1 ZINC000176150672 496704917 /nfs/dbraw/zinc/70/49/17/496704917.db2.gz VPWPHAVHAUQXGK-UHFFFAOYSA-N -1 3 370.384 3.278 20 0 FGADHM O=C(Nc1ccc(Cl)cc1)N1CCCN(C(=O)c2cccc([O-])c2)CC1 ZINC000182245204 496718606 /nfs/dbraw/zinc/71/86/06/496718606.db2.gz RZJCYPMGPZVJTK-UHFFFAOYSA-N -1 3 373.840 3.426 20 0 FGADHM CCN(Cc1cccs1)C(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000179259880 496722395 /nfs/dbraw/zinc/72/23/95/496722395.db2.gz IHGVSLDDZKGIBD-MRXNPFEDSA-N -1 3 358.463 3.107 20 0 FGADHM COc1ccc([O-])c(C(=O)Nc2ccc3[nH]c([C@@H]4CCCO4)nc3c2)c1 ZINC000194864543 496740250 /nfs/dbraw/zinc/74/02/50/496740250.db2.gz VLKUXGBOAYFKPM-KRWDZBQOSA-N -1 3 353.378 3.381 20 0 FGADHM COc1ccc([O-])c(C(=O)Nc2ccc3nc([C@@H]4CCCO4)[nH]c3c2)c1 ZINC000194864543 496740255 /nfs/dbraw/zinc/74/02/55/496740255.db2.gz VLKUXGBOAYFKPM-KRWDZBQOSA-N -1 3 353.378 3.381 20 0 FGADHM Cc1ccccc1[C@@H]1CN(C(=O)c2cc(F)cc3[n-]nnc32)[C@@H](C)CO1 ZINC000277337233 496740555 /nfs/dbraw/zinc/74/05/55/496740555.db2.gz DHRGWRXTUAJJSX-SJCJKPOMSA-N -1 3 354.385 3.008 20 0 FGADHM Cc1ccccc1[C@@H]1CN(C(=O)c2cc(F)cc3nn[n-]c32)[C@@H](C)CO1 ZINC000277337233 496740559 /nfs/dbraw/zinc/74/05/59/496740559.db2.gz DHRGWRXTUAJJSX-SJCJKPOMSA-N -1 3 354.385 3.008 20 0 FGADHM Cc1ccccc1[C@@H]1CN(C(=O)c2cc(F)cc3n[n-]nc32)[C@@H](C)CO1 ZINC000277337233 496740565 /nfs/dbraw/zinc/74/05/65/496740565.db2.gz DHRGWRXTUAJJSX-SJCJKPOMSA-N -1 3 354.385 3.008 20 0 FGADHM CCc1ccc(C(=O)N2CCOC[C@@H]2CC(=O)c2cccs2)c([O-])c1 ZINC000188291656 496743307 /nfs/dbraw/zinc/74/33/07/496743307.db2.gz AGQLPJZPQBNIGB-AWEZNQCLSA-N -1 3 359.447 3.130 20 0 FGADHM CCOC1CC(CC[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)C1 ZINC000188297086 496744131 /nfs/dbraw/zinc/74/41/31/496744131.db2.gz IKEIHLLMKYLLIJ-UHFFFAOYSA-N -1 3 369.380 3.328 20 0 FGADHM COc1cccc(CSC[C@H](NCc2ccccc2OC)C(=O)[O-])c1 ZINC000277409310 496763776 /nfs/dbraw/zinc/76/37/76/496763776.db2.gz SHIMNPYNBSFSFO-KRWDZBQOSA-N -1 3 361.463 3.180 20 0 FGADHM C[C@@H]1CN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])CC[S@](=O)C1 ZINC000277433225 496771201 /nfs/dbraw/zinc/77/12/01/496771201.db2.gz GNSIXXUNEAWDRY-PWECECGKSA-N -1 3 359.447 3.025 20 0 FGADHM Cc1cccc([O-])c1NC(=O)Cc1ccc(I)cc1 ZINC000191513921 496793879 /nfs/dbraw/zinc/79/38/79/496793879.db2.gz HLCOGXJDXXELEH-UHFFFAOYSA-N -1 3 367.186 3.486 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2C[C@H](C)CC2(C)C)c1 ZINC000273399695 496795197 /nfs/dbraw/zinc/79/51/97/496795197.db2.gz IFRUSBZDJFUMCA-LLVKDONJSA-N -1 3 357.410 3.202 20 0 FGADHM COc1ccccc1CN[C@@H](CSCCOc1ccccc1)C(=O)[O-] ZINC000277512604 496798302 /nfs/dbraw/zinc/79/83/02/496798302.db2.gz YHNIITRXPFTAPQ-KRWDZBQOSA-N -1 3 361.463 3.050 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CC[C@H](C)C[C@@H]2C)c1 ZINC000273470624 496815008 /nfs/dbraw/zinc/81/50/08/496815008.db2.gz XMZRDQDBEIAQFF-RYUDHWBXSA-N -1 3 357.410 3.202 20 0 FGADHM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]CC[C@H]2CCO[C@H](C)C2)c1 ZINC000273485070 496819394 /nfs/dbraw/zinc/81/93/94/496819394.db2.gz GNAFIFIIZSJKBE-YPMHNXCESA-N -1 3 359.875 3.026 20 0 FGADHM C[C@H]1CN(c2ccc(NC([O-])=NOCc3ccc(F)cc3)cn2)C[C@H](C)O1 ZINC000273488156 496820735 /nfs/dbraw/zinc/82/07/35/496820735.db2.gz NDHVXFGHNVLDID-KBPBESRZSA-N -1 3 374.416 3.088 20 0 FGADHM C[C@H]1CN(c2ccc(NC(=O)[N-]OCc3ccc(F)cc3)cn2)C[C@H](C)O1 ZINC000273488156 496820738 /nfs/dbraw/zinc/82/07/38/496820738.db2.gz NDHVXFGHNVLDID-KBPBESRZSA-N -1 3 374.416 3.088 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(N3CC[C@@H](O)[C@H](C4CCCC4)C3)nc2)n1 ZINC000574857816 505870201 /nfs/dbraw/zinc/87/02/01/505870201.db2.gz MVYIUFSJBRTBSC-ZWKOTPCHSA-N -1 3 368.481 3.184 20 0 FGADHM CCNC(=O)c1ccc(NC(=O)c2cc([O-])ccc2C(F)(F)F)cc1 ZINC000188662938 496869348 /nfs/dbraw/zinc/86/93/48/496869348.db2.gz IAFIYUMLJYGLAK-UHFFFAOYSA-N -1 3 352.312 3.413 20 0 FGADHM Cc1ccc2c(c1)nc(C[N-]S(=O)(=O)c1cc(Cl)ccc1F)n2C ZINC000574863483 505871485 /nfs/dbraw/zinc/87/14/85/505871485.db2.gz LOVCLVUCJDDWDX-UHFFFAOYSA-N -1 3 367.833 3.153 20 0 FGADHM Cc1ccc(-c2nc3ccccc3c(NCCc3c(C)[n-][nH]c3=O)n2)s1 ZINC000574866745 505872220 /nfs/dbraw/zinc/87/22/20/505872220.db2.gz DTFPOTKHIBIENY-ZDUSSCGKSA-N -1 3 365.462 3.013 20 0 FGADHM COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)c1cccc2nn[n-]c21 ZINC000191820292 496900582 /nfs/dbraw/zinc/90/05/82/496900582.db2.gz ILUVVSJXCBCZEJ-JTQLQIEISA-N -1 3 360.801 3.277 20 0 FGADHM COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)c1cccc2[n-]nnc21 ZINC000191820292 496900585 /nfs/dbraw/zinc/90/05/85/496900585.db2.gz ILUVVSJXCBCZEJ-JTQLQIEISA-N -1 3 360.801 3.277 20 0 FGADHM COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)c1cccc2n[n-]nc21 ZINC000191820292 496900591 /nfs/dbraw/zinc/90/05/91/496900591.db2.gz ILUVVSJXCBCZEJ-JTQLQIEISA-N -1 3 360.801 3.277 20 0 FGADHM COc1cc(C(=O)N(Cc2ccc(O)cc2)CC2CC2)cc(OC)c1[O-] ZINC000273805776 496914647 /nfs/dbraw/zinc/91/46/47/496914647.db2.gz BUBUKOVUEBAGSW-UHFFFAOYSA-N -1 3 357.406 3.167 20 0 FGADHM COc1ccc(CN[C@@]2(C)CCO[C@H]2C2CC2)c(Br)c1[O-] ZINC000273829673 496923606 /nfs/dbraw/zinc/92/36/06/496923606.db2.gz PQAVLYWAFLDCOU-HOTGVXAUSA-N -1 3 356.260 3.211 20 0 FGADHM COc1cc(C)c(Br)cc1NC(=O)c1cccc2nn[n-]c21 ZINC000188847593 496926773 /nfs/dbraw/zinc/92/67/73/496926773.db2.gz BVRWTJNIURDDJQ-UHFFFAOYSA-N -1 3 361.199 3.290 20 0 FGADHM COc1cc(C)c(Br)cc1NC(=O)c1cccc2[n-]nnc21 ZINC000188847593 496926780 /nfs/dbraw/zinc/92/67/80/496926780.db2.gz BVRWTJNIURDDJQ-UHFFFAOYSA-N -1 3 361.199 3.290 20 0 FGADHM COc1cc(C)c(Br)cc1NC(=O)c1cccc2n[n-]nc21 ZINC000188847593 496926787 /nfs/dbraw/zinc/92/67/87/496926787.db2.gz BVRWTJNIURDDJQ-UHFFFAOYSA-N -1 3 361.199 3.290 20 0 FGADHM COc1cc(Cl)c(S(=O)(=O)[N-]Cc2ccncc2C)cc1Cl ZINC000188846429 496927039 /nfs/dbraw/zinc/92/70/39/496927039.db2.gz BLBPSCGMFUHSKH-UHFFFAOYSA-N -1 3 361.250 3.184 20 0 FGADHM O=C(Nc1ccccc1[O-])C1CCN(c2nnc(C(F)F)s2)CC1 ZINC000269378557 496934139 /nfs/dbraw/zinc/93/41/39/496934139.db2.gz RMCHANGDPZEGGS-UHFFFAOYSA-N -1 3 354.382 3.036 20 0 FGADHM CC(C)c1ccc(C(=O)N2CCC[C@H](c3nncn3C3CC3)C2)c([O-])c1 ZINC000264600152 496940457 /nfs/dbraw/zinc/94/04/57/496940457.db2.gz DNAYIZSSTSLRIM-HNNXBMFYSA-N -1 3 354.454 3.462 20 0 FGADHM COCC1(C(=O)[O-])CCN(CCOc2cc(Cl)cc(Cl)c2)CC1 ZINC000574884215 505875380 /nfs/dbraw/zinc/87/53/80/505875380.db2.gz NPKBOQZIKWZKBO-UHFFFAOYSA-N -1 3 362.253 3.185 20 0 FGADHM CCCCc1nc(C(=O)OCC)c(NC(=O)COc2ccccc2F)[n-]1 ZINC000191964530 496946023 /nfs/dbraw/zinc/94/60/23/496946023.db2.gz OAUJZKVPAUQRHX-UHFFFAOYSA-N -1 3 363.389 3.086 20 0 FGADHM CCCCc1nc(NC(=O)COc2ccccc2F)c(C(=O)OCC)[n-]1 ZINC000191964530 496946029 /nfs/dbraw/zinc/94/60/29/496946029.db2.gz OAUJZKVPAUQRHX-UHFFFAOYSA-N -1 3 363.389 3.086 20 0 FGADHM O=C([N-]c1cnns1)C(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000191971019 496948927 /nfs/dbraw/zinc/94/89/27/496948927.db2.gz FKTQLJZQWDPFFO-OAHLLOKOSA-N -1 3 372.837 3.036 20 0 FGADHM C[C@@H]([N-]C(=O)C(F)(F)C(F)F)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000269518039 496962520 /nfs/dbraw/zinc/96/25/20/496962520.db2.gz KXOBZWZIGKVZGH-BXUZGUMPSA-N -1 3 363.351 3.328 20 0 FGADHM CC(C)(C)OC(=O)Nc1ccc(CC(=O)[N-]OCc2cccnc2)cc1 ZINC000269538838 496967281 /nfs/dbraw/zinc/96/72/81/496967281.db2.gz JLSYFTPDFRZKGJ-UHFFFAOYSA-N -1 3 357.410 3.219 20 0 FGADHM COc1ccc(OC(C)C)c(NC(=O)c2cc(OC)c([O-])c(OC)c2)c1 ZINC000273968023 496976225 /nfs/dbraw/zinc/97/62/25/496976225.db2.gz QRCKHSWMZVHLRI-UHFFFAOYSA-N -1 3 361.394 3.458 20 0 FGADHM Cn1cnc(-c2ccc(NC(=O)c3cn[n-]c3-c3ccsc3)cc2)n1 ZINC000189057128 496992829 /nfs/dbraw/zinc/99/28/29/496992829.db2.gz PSFIGUNYJGWGEX-UHFFFAOYSA-N -1 3 350.407 3.186 20 0 FGADHM Cn1cnc(-c2ccc(NC(=O)c3c[n-]nc3-c3ccsc3)cc2)n1 ZINC000189057128 496992835 /nfs/dbraw/zinc/99/28/35/496992835.db2.gz PSFIGUNYJGWGEX-UHFFFAOYSA-N -1 3 350.407 3.186 20 0 FGADHM CC(C)c1ccc([C@H]2CCCCN2C(=O)C(=O)[N-]c2cnns2)cc1 ZINC000192098291 496993791 /nfs/dbraw/zinc/99/37/91/496993791.db2.gz NRTLMSDZJQYXRO-OAHLLOKOSA-N -1 3 358.467 3.354 20 0 FGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@@H](C)CC(C)C)cc1OC ZINC000269792954 497003440 /nfs/dbraw/zinc/00/34/40/497003440.db2.gz NZQRCPLPKRNXBA-LBPRGKRZSA-N -1 3 357.476 3.013 20 0 FGADHM CCOc1cc(-c2noc(C[C@@H](C)NC(=O)C3CCCCC3)n2)ccc1[O-] ZINC000278110983 497008817 /nfs/dbraw/zinc/00/88/17/497008817.db2.gz QGFWVMZWJLVKRS-CYBMUJFWSA-N -1 3 373.453 3.468 20 0 FGADHM CCc1cccnc1NC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000269852391 497012635 /nfs/dbraw/zinc/01/26/35/497012635.db2.gz DQINFMHZMVANQQ-UHFFFAOYSA-N -1 3 363.421 3.081 20 0 FGADHM COc1cc(C(=O)NCCCCOc2ccc(F)cc2)cc(OC)c1[O-] ZINC000269925833 497025771 /nfs/dbraw/zinc/02/57/71/497025771.db2.gz KCNQFWKGSPKYDY-UHFFFAOYSA-N -1 3 363.385 3.138 20 0 FGADHM C[C@H]1CN(c2ccc(-c3nc(-c4ccc([O-])cc4)no3)cn2)C[C@H](C)O1 ZINC000265059950 497039086 /nfs/dbraw/zinc/03/90/86/497039086.db2.gz UUTBKQDIEIRJNB-STQMWFEESA-N -1 3 352.394 3.118 20 0 FGADHM CC(C)CO[C@H](C)c1noc(CN2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])n1 ZINC000248563303 497041353 /nfs/dbraw/zinc/04/13/53/497041353.db2.gz OMRLVCALBZONRA-BARDWOONSA-N -1 3 351.447 3.021 20 0 FGADHM CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccc2n[n-]nc2c1 ZINC000248576368 497046307 /nfs/dbraw/zinc/04/63/07/497046307.db2.gz TWWWJHOXSMXNDC-VUCTXSBTSA-N -1 3 370.453 3.073 20 0 FGADHM Cc1nn(C)c2nc(C)cc(C(=O)N3CC[C@H](C)c4cccc([O-])c43)c12 ZINC000274343221 497075228 /nfs/dbraw/zinc/07/52/28/497075228.db2.gz FBQHCYKLMJLFHO-NSHDSACASA-N -1 3 350.422 3.445 20 0 FGADHM Cc1noc(C)c1CCNC(=O)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000189319659 497080278 /nfs/dbraw/zinc/08/02/78/497080278.db2.gz CVGPISJSJBIGTM-UHFFFAOYSA-N -1 3 350.831 3.369 20 0 FGADHM C[C@@H](Sc1n[n-]c(CO)n1)C(=O)Nc1ccccc1Oc1ccccc1 ZINC000572082410 505884501 /nfs/dbraw/zinc/88/45/01/505884501.db2.gz UKWMUQOWMAVQRX-GFCCVEGCSA-N -1 3 370.434 3.209 20 0 FGADHM Cc1ncc(S(=O)(=O)[N-][C@H](C)c2ccc(Br)cc2)s1 ZINC000229627675 497099674 /nfs/dbraw/zinc/09/96/74/497099674.db2.gz AFGUCYVYNMGYEV-MRVPVSSYSA-N -1 3 361.286 3.254 20 0 FGADHM COc1ccc2oc([C@H](C)[N-]S(=O)(=O)Cc3cc(C)on3)c(C)c2c1 ZINC000265356000 497106372 /nfs/dbraw/zinc/10/63/72/497106372.db2.gz SCMSVKYWMSBFND-LBPRGKRZSA-N -1 3 364.423 3.227 20 0 FGADHM O=S(=O)(C[C@@H]1CCCO1)[N-]c1ccccc1COCc1ccccc1 ZINC000265418438 497116067 /nfs/dbraw/zinc/11/60/67/497116067.db2.gz MIAIMUGFXLJZOM-SFHVURJKSA-N -1 3 361.463 3.324 20 0 FGADHM O=S(=O)([N-]C[C@@H]1CCCS1)c1ccc(Cl)c(Br)c1 ZINC000236054289 497116138 /nfs/dbraw/zinc/11/61/38/497116138.db2.gz HUVMQOIIUDZRJV-QMMMGPOBSA-N -1 3 370.721 3.276 20 0 FGADHM O=C(CNC(=O)c1cccc([O-])c1)N1CCC[C@@H]1c1ccccc1Cl ZINC000274536306 497119778 /nfs/dbraw/zinc/11/97/78/497119778.db2.gz VBKWHMNQHUPAAB-QGZVFWFLSA-N -1 3 358.825 3.139 20 0 FGADHM CC(C)(C)OC(=O)[C@@H]1CCCCN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000270442305 497129768 /nfs/dbraw/zinc/12/97/68/497129768.db2.gz LIIAQIGWZSOCEI-INIZCTEOSA-N -1 3 356.422 3.277 20 0 FGADHM COc1ccc(C(=O)C2CCN([C@@H](C)c3nc(C)cc(=O)[n-]3)CC2)cc1 ZINC000192528037 497140206 /nfs/dbraw/zinc/14/02/06/497140206.db2.gz JRKCITXTGRVRJI-AWEZNQCLSA-N -1 3 355.438 3.155 20 0 FGADHM CC(C)c1nccn1Cc1cccc(NC(=O)[N-]OC[C@@H]2CCOC2)c1 ZINC000189501475 497140497 /nfs/dbraw/zinc/14/04/97/497140497.db2.gz JLJRWXSNATWZRK-MRXNPFEDSA-N -1 3 358.442 3.144 20 0 FGADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCC([C@H](C)NC(=O)OC(C)(C)C)CC2)n1 ZINC000192580480 497156173 /nfs/dbraw/zinc/15/61/73/497156173.db2.gz RXRCPJIJPOYWFK-UONOGXRCSA-N -1 3 364.490 3.177 20 0 FGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CCCC[C@H](C)C1 ZINC000274767137 497161125 /nfs/dbraw/zinc/16/11/25/497161125.db2.gz STENAXVSNSLYSE-AWEZNQCLSA-N -1 3 354.454 3.134 20 0 FGADHM COc1cccc(C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)c1[O-] ZINC000192604270 497161410 /nfs/dbraw/zinc/16/14/10/497161410.db2.gz QYFJWQGRMQBWAP-UHFFFAOYSA-N -1 3 360.841 3.325 20 0 FGADHM Cc1ccc(NC(=O)[N-]OCCC(F)(F)F)cc1C(=O)N(C)C(C)C ZINC000278622018 497170390 /nfs/dbraw/zinc/17/03/90/497170390.db2.gz KBMOZBGQPCMISZ-UHFFFAOYSA-N -1 3 361.364 3.481 20 0 FGADHM Cc1c([O-])ccc2c(CN3CCn4c(C(C)C)nnc4[C@H]3C)cc(=O)oc12 ZINC000189585082 497173039 /nfs/dbraw/zinc/17/30/39/497173039.db2.gz SVZHUNQZGRSLRL-CYBMUJFWSA-N -1 3 368.437 3.099 20 0 FGADHM COc1ccc(C(C)(C)CNC(=O)c2cc(OC)c([O-])c(OC)c2)cc1 ZINC000270697272 497182117 /nfs/dbraw/zinc/18/21/17/497182117.db2.gz LKKXLYDWFNWFJX-UHFFFAOYSA-N -1 3 359.422 3.126 20 0 FGADHM COc1cc(C(=O)NCCCCOCCc2ccccc2)cc(OC)c1[O-] ZINC000270737040 497191222 /nfs/dbraw/zinc/19/12/22/497191222.db2.gz QTYADPDURXIZHC-UHFFFAOYSA-N -1 3 373.449 3.179 20 0 FGADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCN(c3ccc(F)cc3Cl)CC2)n1 ZINC000192708653 497191435 /nfs/dbraw/zinc/19/14/35/497191435.db2.gz IYRQSGNHAIDBKE-GFCCVEGCSA-N -1 3 350.825 3.166 20 0 FGADHM O=C(c1cccc([O-])c1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000192726391 497197148 /nfs/dbraw/zinc/19/71/48/497197148.db2.gz UWZGOJBAKHIMNO-UHFFFAOYSA-N -1 3 350.340 3.373 20 0 FGADHM COCCOc1cccc(-c2noc(-c3cc(OC)c([O-])c(OC)c3)n2)c1 ZINC000275013126 497218156 /nfs/dbraw/zinc/21/81/56/497218156.db2.gz QZLVFCSRBKLGHK-UHFFFAOYSA-N -1 3 372.377 3.152 20 0 FGADHM CC(C)OCCOCc1cccc(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000581021053 505892435 /nfs/dbraw/zinc/89/24/35/505892435.db2.gz RBJFEVSFVUQBOI-UHFFFAOYSA-N -1 3 371.437 3.254 20 0 FGADHM Cc1cccnc1C(F)(F)C(=O)[N-][C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000278819995 497231195 /nfs/dbraw/zinc/23/11/95/497231195.db2.gz SZRCKJUIYYNEEE-FNODVLLQSA-N -1 3 352.406 3.097 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)[C@H](c1ccccc1)N(C)C ZINC000192864363 497232031 /nfs/dbraw/zinc/23/20/31/497232031.db2.gz HSJFNYJPRGGTNO-APPDUMDISA-N -1 3 372.412 3.074 20 0 FGADHM Cc1ccc(CS(=O)(=O)[N-]Cc2cc(COC(C)(C)C)on2)c(F)c1 ZINC000192885011 497236743 /nfs/dbraw/zinc/23/67/43/497236743.db2.gz FFFCARBNCPCONC-UHFFFAOYSA-N -1 3 370.446 3.057 20 0 FGADHM CC(=O)NCCc1ccc(S(=O)(=O)[N-][C@H](C)CC2CCCCC2)s1 ZINC000192924104 497247129 /nfs/dbraw/zinc/24/71/29/497247129.db2.gz DONOXXDCYBCLLH-CYBMUJFWSA-N -1 3 372.556 3.064 20 0 FGADHM CCOC(=O)[C@H](NCc1cc([O-])cc(F)c1)c1ccc(OC)c(F)c1 ZINC000275170260 497248768 /nfs/dbraw/zinc/24/87/68/497248768.db2.gz XANNBXJGMYOKKJ-QGZVFWFLSA-N -1 3 351.349 3.073 20 0 FGADHM CCOC(=O)[C@@H](NCc1cc([O-])cc(F)c1)c1ccc(OC)c(F)c1 ZINC000275170257 497249085 /nfs/dbraw/zinc/24/90/85/497249085.db2.gz XANNBXJGMYOKKJ-KRWDZBQOSA-N -1 3 351.349 3.073 20 0 FGADHM O=C(N[C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000250083120 497260550 /nfs/dbraw/zinc/26/05/50/497260550.db2.gz PJCDTLFEVHIJKU-DFKRKDTASA-N -1 3 363.870 3.479 20 0 FGADHM CCO[C@H](C[N-]S(=O)(=O)Cc1ccc(C)cc1F)c1ccccc1 ZINC000192964376 497261836 /nfs/dbraw/zinc/26/18/36/497261836.db2.gz VJXPWTQUIHJBFD-GOSISDBHSA-N -1 3 351.443 3.331 20 0 FGADHM CCOC(=O)c1ccsc1[N-]C(=O)C(=O)N1[C@H](C)C[C@H]2CCCC[C@@H]21 ZINC000189847357 497266351 /nfs/dbraw/zinc/26/63/51/497266351.db2.gz UNWNPLQBLSLHJM-BZPMIXESSA-N -1 3 364.467 3.043 20 0 FGADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@H](C)c2cccnc2)s1 ZINC000266178989 497274118 /nfs/dbraw/zinc/27/41/18/497274118.db2.gz FHPQYHTYQFGCDT-SECBINFHSA-N -1 3 361.286 3.254 20 0 FGADHM Cc1ccc(C(=O)N(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c([O-])c1C ZINC000271172722 497279552 /nfs/dbraw/zinc/27/95/52/497279552.db2.gz AKMNDPRBNQFRMY-AWEZNQCLSA-N -1 3 361.463 3.246 20 0 FGADHM CC1CCN(C(=O)C2CCN(C(=O)c3cc([O-])ccc3Cl)CC2)CC1 ZINC000278953469 497280172 /nfs/dbraw/zinc/28/01/72/497280172.db2.gz VWSPHYUIHHSHGL-UHFFFAOYSA-N -1 3 364.873 3.156 20 0 FGADHM Cc1cc(C)c2[n-]cc(C(=O)N3CCC=C(c4ccncc4)C3)c(=O)c2c1 ZINC000569261577 505891557 /nfs/dbraw/zinc/89/15/57/505891557.db2.gz BKSOQZHSCNGPGV-UHFFFAOYSA-N -1 3 359.429 3.469 20 0 FGADHM CSC1(CNC(=O)c2c[n-]nc2-c2ccc(Cl)s2)CCOCC1 ZINC000189892448 497283242 /nfs/dbraw/zinc/28/32/42/497283242.db2.gz MGMRHUJUYZXFAL-UHFFFAOYSA-N -1 3 371.915 3.434 20 0 FGADHM Cc1cc(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)ccc1OC1CCOCC1 ZINC000578245867 505896808 /nfs/dbraw/zinc/89/68/08/505896808.db2.gz ANMNSMJLKHQDRX-UHFFFAOYSA-N -1 3 369.421 3.178 20 0 FGADHM Cn1cc(-c2ccc(CN[C@@]3(C(=O)[O-])CCc4c3cccc4F)s2)cn1 ZINC000581061381 505901056 /nfs/dbraw/zinc/90/10/56/505901056.db2.gz XONKCDUFJWKOSU-IBGZPJMESA-N -1 3 371.437 3.304 20 0 FGADHM CC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccc3c(c2)CCCO3)c1 ZINC000271324209 497321192 /nfs/dbraw/zinc/32/11/92/497321192.db2.gz PIWLXXNVILAWMI-UHFFFAOYSA-N -1 3 360.435 3.079 20 0 FGADHM CC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1c(C)csc1C(=O)OC ZINC000190057509 497340914 /nfs/dbraw/zinc/34/09/14/497340914.db2.gz UVADQWFVNIISPK-CQSZACIVSA-N -1 3 367.492 3.143 20 0 FGADHM Cc1cccnc1C(F)(F)C(=O)[N-]C[C@H](O)c1cc(F)cc(Cl)c1 ZINC000279138455 497345963 /nfs/dbraw/zinc/34/59/63/497345963.db2.gz YWPSDWMEZNCZNJ-ZDUSSCGKSA-N -1 3 358.747 3.124 20 0 FGADHM CC(C)(C)c1ccc(C(=O)Nc2ccc(C[C@@H]3NC(=O)[N-]C3=O)cc2)s1 ZINC000271473064 497357830 /nfs/dbraw/zinc/35/78/30/497357830.db2.gz VBGYDLIAYLLXQV-ZDUSSCGKSA-N -1 3 371.462 3.048 20 0 FGADHM Cc1ccc(/C=C\CC(=O)N2CCN(C(=O)c3cccc([O-])c3)CC2)cc1 ZINC000255715228 497373799 /nfs/dbraw/zinc/37/37/99/497373799.db2.gz HDAJQPLEUIRJCI-RQOWECAXSA-N -1 3 364.445 3.089 20 0 FGADHM CC(C)c1cccc(-n2cc([O-])c(C(=O)N(C)CC3(N(C)C)CCC3)n2)c1 ZINC000190149546 497376692 /nfs/dbraw/zinc/37/66/92/497376692.db2.gz NZKBQIWHEZXVCC-UHFFFAOYSA-N -1 3 370.497 3.258 20 0 FGADHM C/C=C\c1ccc([N-]S(=O)(=O)C[C@H](C(=O)OC)c2ccccc2)cc1 ZINC000572155978 505903138 /nfs/dbraw/zinc/90/31/38/505903138.db2.gz UILPTQCKYFNQNN-BHSUKZTGSA-N -1 3 359.447 3.418 20 0 FGADHM CCC[C@](C)(CC)C(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000279540669 497466807 /nfs/dbraw/zinc/46/68/07/497466807.db2.gz ALNWRTVCEVCINT-KRWDZBQOSA-N -1 3 372.556 3.234 20 0 FGADHM CCC[C@@](C)(CC)C(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000279540672 497466971 /nfs/dbraw/zinc/46/69/71/497466971.db2.gz ALNWRTVCEVCINT-QGZVFWFLSA-N -1 3 372.556 3.234 20 0 FGADHM CCn1nccc1C1CCN(C(=O)c2c[n-]c3ccccc3c2=O)CC1 ZINC000279556493 497471438 /nfs/dbraw/zinc/47/14/38/497471438.db2.gz RSRYIESCTZOITC-UHFFFAOYSA-N -1 3 350.422 3.177 20 0 FGADHM Cc1ccc(Cl)cc1NC(=O)[C@H](C)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000262136418 497514156 /nfs/dbraw/zinc/51/41/56/497514156.db2.gz LMDYIUVRNCKGLI-ZJNRKIDTSA-N -1 3 350.846 3.162 20 0 FGADHM O=C(CN1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1)N[C@@H](c1ccccc1)C1CCCC1 ZINC000262207858 497525067 /nfs/dbraw/zinc/52/50/67/497525067.db2.gz SZHOOVHMPHUUPP-RCZSKKKRSA-N -1 3 370.493 3.221 20 0 FGADHM O=S(=O)([N-]CCCOC(F)F)c1cc2cc(Cl)ccc2s1 ZINC000193967367 497535498 /nfs/dbraw/zinc/53/54/98/497535498.db2.gz XKELEEYMTMHHRY-UHFFFAOYSA-N -1 3 355.815 3.462 20 0 FGADHM COCCOc1ccc(F)cc1S(=O)(=O)[N-][C@@H](C)c1cc(C)oc1C ZINC000190574906 497533391 /nfs/dbraw/zinc/53/33/91/497533391.db2.gz QOBCGLRDBKQZSR-LBPRGKRZSA-N -1 3 371.430 3.100 20 0 FGADHM COc1ccc(Cl)cc1NC(=O)CN1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC000262288830 497535086 /nfs/dbraw/zinc/53/50/86/497535086.db2.gz VTOIGVBKGIAKKT-GLQYFDAESA-N -1 3 366.845 3.005 20 0 FGADHM Cc1ccc([C@H]2CCN(C(=O)CCc3c(C)nc(C)[n-]c3=O)C2)c(C)c1 ZINC000279803015 497546076 /nfs/dbraw/zinc/54/60/76/497546076.db2.gz ZALFBQLVSTXJSX-KRWDZBQOSA-N -1 3 353.466 3.365 20 0 FGADHM COC(=O)c1nc([C@@H]2CCCN2C(=O)c2ccc(C)cc2[O-])sc1C ZINC000279803093 497546492 /nfs/dbraw/zinc/54/64/92/497546492.db2.gz ZBPBTFMFSFXHDN-ZDUSSCGKSA-N -1 3 360.435 3.229 20 0 FGADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1cc(F)cc(F)c1Br ZINC000190641016 497555634 /nfs/dbraw/zinc/55/56/34/497555634.db2.gz HJDSAGFLPLPSPB-SNVBAGLBSA-N -1 3 351.147 3.307 20 0 FGADHM O=C([N-]O[C@@H]1CCCCO1)Nc1cc(F)cc(F)c1Br ZINC000190641016 497555641 /nfs/dbraw/zinc/55/56/41/497555641.db2.gz HJDSAGFLPLPSPB-SNVBAGLBSA-N -1 3 351.147 3.307 20 0 FGADHM Cc1cc(Br)cc(S(=O)(=O)[N-][C@H](C2CC2)C(F)(F)F)c1 ZINC000581125590 505915734 /nfs/dbraw/zinc/91/57/34/505915734.db2.gz TVVQQCOJPJMBPX-LLVKDONJSA-N -1 3 372.206 3.377 20 0 FGADHM CCc1c([N-]C(=O)[C@H](C)OC[C@@H]2CCCCO2)onc1C(F)(F)F ZINC000276521883 497591688 /nfs/dbraw/zinc/59/16/88/497591688.db2.gz CFLXLAIMTTXNLS-UWVGGRQHSA-N -1 3 350.337 3.169 20 0 FGADHM CCOCCOCc1cccc(NC(=O)c2n[n-]nc2-c2ccccc2)c1 ZINC000194167400 497592136 /nfs/dbraw/zinc/59/21/36/497592136.db2.gz ZFUGYOUXDBJTLI-UHFFFAOYSA-N -1 3 366.421 3.277 20 0 FGADHM CN(Cc1csc(Br)c1)C(=O)c1ccc2n[n-]nc2c1 ZINC000194178396 497594930 /nfs/dbraw/zinc/59/49/30/497594930.db2.gz JOPKUSDKBSITCS-UHFFFAOYSA-N -1 3 351.229 3.054 20 0 FGADHM C[C@H](NC(=O)[C@H](C)N1CCC[C@@H](C(=O)[O-])C1)c1ccc2ccccc2c1 ZINC000262669049 497595170 /nfs/dbraw/zinc/59/51/70/497595170.db2.gz OQOSBSNGOYDEIJ-YZVOILCLSA-N -1 3 354.450 3.202 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)c(F)c2)cc1C ZINC000194199085 497600343 /nfs/dbraw/zinc/60/03/43/497600343.db2.gz OPWFKIHYLISKAR-UHFFFAOYSA-N -1 3 361.398 3.129 20 0 FGADHM COCc1nc(S[C@@H](C)C(=O)c2ccccc2Br)n[n-]1 ZINC000276575320 497605000 /nfs/dbraw/zinc/60/50/00/497605000.db2.gz HWQRULXASVWGQU-QMMMGPOBSA-N -1 3 356.245 3.077 20 0 FGADHM CCc1ccc(C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)c([O-])c1 ZINC000276600346 497610205 /nfs/dbraw/zinc/61/02/05/497610205.db2.gz XYSLXAZRWBQESJ-XJKSGUPXSA-N -1 3 362.470 3.330 20 0 FGADHM Cc1cc(-c2csc(NC(=O)CCc3c(C)nc(C)[n-]c3=O)n2)c(C)o1 ZINC000194254151 497614768 /nfs/dbraw/zinc/61/47/68/497614768.db2.gz WOOXRJXQICUOOJ-UHFFFAOYSA-N -1 3 372.450 3.291 20 0 FGADHM O=c1cc(C(F)(F)F)nc(C[S@@](=O)CCCOCc2ccccc2)[n-]1 ZINC000190838123 497618701 /nfs/dbraw/zinc/61/87/01/497618701.db2.gz XWOWONAWNCZJLB-VWLOTQADSA-N -1 3 374.384 3.057 20 0 FGADHM Cc1cc(C(=O)Nc2nc(CN3C[C@@H](C)O[C@@H](C)C3)cs2)ccc1[O-] ZINC000272423284 497624522 /nfs/dbraw/zinc/62/45/22/497624522.db2.gz BQALVKXDKHICPL-BETUJISGSA-N -1 3 361.467 3.019 20 0 FGADHM Cc1cc(C(=O)N2CCC(C(=O)NCc3ccc(F)cc3)CC2)ccc1[O-] ZINC000272428161 497625823 /nfs/dbraw/zinc/62/58/23/497625823.db2.gz KZWGLLSRDPHFQT-UHFFFAOYSA-N -1 3 370.424 3.008 20 0 FGADHM O=C(NCc1cc2c(cc1OC(F)F)OCO2)c1cc([O-])ccc1Cl ZINC000578345281 505919009 /nfs/dbraw/zinc/91/90/09/505919009.db2.gz FFULWTWXUUEFFL-UHFFFAOYSA-N -1 3 371.723 3.306 20 0 FGADHM CC[C@H]1CC[C@H](C)N1C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000272475114 497639169 /nfs/dbraw/zinc/63/91/69/497639169.db2.gz SEVOOBKBZNPUMM-FZMZJTMJSA-N -1 3 369.462 3.061 20 0 FGADHM CC[C@@H]1CC[C@H](C)N1C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000272475122 497639670 /nfs/dbraw/zinc/63/96/70/497639670.db2.gz SEVOOBKBZNPUMM-SMDDNHRTSA-N -1 3 369.462 3.061 20 0 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/nfs/dbraw/zinc/98/19/24/505981924.db2.gz NMLZFBUFTMPJSR-UHFFFAOYSA-N -1 3 374.868 3.321 20 0 FGADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)CC[C@@H](C)CC)c2)[n-]1 ZINC000581385503 505976579 /nfs/dbraw/zinc/97/65/79/505976579.db2.gz AGRDEGUSPXKBAX-ZDUSSCGKSA-N -1 3 358.442 3.091 20 0 FGADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)CC[C@@H](C)CC)c2)n[n-]1 ZINC000581385503 505976582 /nfs/dbraw/zinc/97/65/82/505976582.db2.gz AGRDEGUSPXKBAX-ZDUSSCGKSA-N -1 3 358.442 3.091 20 0 FGADHM CSC[C@@H]1CCCN(C(=O)NCc2ccc([O-])c(Br)c2)C1 ZINC000292643418 498090540 /nfs/dbraw/zinc/09/05/40/498090540.db2.gz PWGZCZXPTZKSPQ-GFCCVEGCSA-N -1 3 373.316 3.439 20 0 FGADHM C[C@](CO)(NCc1cc([O-])cc(F)c1)c1ccc(Br)cc1 ZINC000285486832 498103779 /nfs/dbraw/zinc/10/37/79/498103779.db2.gz LUSHFGHFGKJDLE-MRXNPFEDSA-N -1 3 354.219 3.291 20 0 FGADHM C[C@H]1CC(C(=O)NC2CCN(C(=O)c3cccc([O-])c3)CC2)C[C@H](C)C1 ZINC000364696809 498095721 /nfs/dbraw/zinc/09/57/21/498095721.db2.gz CNZWAGUZIPJRLI-HUUCEWRRSA-N -1 3 358.482 3.185 20 0 FGADHM CCOc1ccc(S(=O)(=O)[N-][C@@H](c2nccs2)C(F)(F)F)cc1 ZINC000292663661 498100903 /nfs/dbraw/zinc/10/09/03/498100903.db2.gz ANWKPPPMJCTWCJ-NSHDSACASA-N -1 3 366.386 3.124 20 0 FGADHM O=C1CCCN1c1cccc(OCc2nc(-c3ccc([O-])cc3)no2)c1 ZINC000350574263 498118045 /nfs/dbraw/zinc/11/80/45/498118045.db2.gz HHBHRLWZUYDXNK-UHFFFAOYSA-N -1 3 351.362 3.148 20 0 FGADHM CS(=O)(=O)Cc1c2ccccc2oc1-c1nc(-c2ccc([O-])cc2)no1 ZINC000350578275 498118569 /nfs/dbraw/zinc/11/85/69/498118569.db2.gz LXDHBWKUBVRCON-UHFFFAOYSA-N -1 3 370.386 3.400 20 0 FGADHM COc1cc(-c2noc(-c3sc(-c4cnn(C)c4)nc3C)n2)ccc1[O-] ZINC000350586987 498120852 /nfs/dbraw/zinc/12/08/52/498120852.db2.gz SKSQAMAWPRINNB-UHFFFAOYSA-N -1 3 369.406 3.283 20 0 FGADHM CCCN(C)Cc1nc(Cc2nc(=O)c3c(C4CC4)csc3[n-]2)no1 ZINC000350632932 498127540 /nfs/dbraw/zinc/12/75/40/498127540.db2.gz ALKZSDDMCPTKMJ-UHFFFAOYSA-N -1 3 359.455 3.090 20 0 FGADHM C[C@H](SCc1nnn(C)n1)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000289418453 498139234 /nfs/dbraw/zinc/13/92/34/498139234.db2.gz PMMFNPCNXDAODP-QMMMGPOBSA-N -1 3 374.451 3.175 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N(Cc2cccs2)C[C@H]2CCCO2)c1 ZINC000292827135 498160111 /nfs/dbraw/zinc/16/01/11/498160111.db2.gz WHYCNWAUYPVVQA-OAHLLOKOSA-N -1 3 374.462 3.234 20 0 FGADHM O=S(=O)(CCOCc1ccccc1)[N-]C1(c2nccs2)CCCC1 ZINC000296713500 498166262 /nfs/dbraw/zinc/16/62/62/498166262.db2.gz NEKYJJMLKMZEFS-UHFFFAOYSA-N -1 3 366.508 3.049 20 0 FGADHM Cc1nc(C)c(CCC(=O)NCC(F)(F)c2ccc(Cl)cc2)c(=O)[n-]1 ZINC000285701031 498176037 /nfs/dbraw/zinc/17/60/37/498176037.db2.gz CKRZBAFRVOHYHS-UHFFFAOYSA-N -1 3 369.799 3.293 20 0 FGADHM CC(C)(C)OCc1cc(C(=O)[N-]c2ccnc(-c3cncs3)n2)no1 ZINC000289539235 498185769 /nfs/dbraw/zinc/18/57/69/498185769.db2.gz WQGCKJOKUOZWGC-UHFFFAOYSA-N -1 3 359.411 3.156 20 0 FGADHM C[C@@H](C1CCN(C)CC1)N(C)C(=O)c1cc(Br)c(F)cc1[O-] ZINC000296797744 498200220 /nfs/dbraw/zinc/20/02/20/498200220.db2.gz OUBAZPAISLTFDE-JTQLQIEISA-N -1 3 373.266 3.096 20 0 FGADHM COc1ccc(-c2nc([N-]C(=O)c3ncsc3C(C)C)n[nH]2)c(OC)c1 ZINC000289580642 498202932 /nfs/dbraw/zinc/20/29/32/498202932.db2.gz BLOQTXLQACFKGJ-UHFFFAOYSA-N -1 3 373.438 3.321 20 0 FGADHM CC(C)c1ccc(S(=O)(=O)[N-]C2(C(F)(F)F)CCOCC2)cc1 ZINC000330867541 498208864 /nfs/dbraw/zinc/20/88/64/498208864.db2.gz OUCPMRKGVLWHIL-UHFFFAOYSA-N -1 3 351.390 3.200 20 0 FGADHM COC(=O)c1nc(NC(=O)c2[n-]nc3c2cccc3OC)sc1C(C)C ZINC000292972862 498218357 /nfs/dbraw/zinc/21/83/57/498218357.db2.gz IUPTWCZPACXMPX-UHFFFAOYSA-N -1 3 374.422 3.190 20 0 FGADHM COC(=O)c1nc(NC(=O)c2n[n-]c3c2cccc3OC)sc1C(C)C ZINC000292972862 498218360 /nfs/dbraw/zinc/21/83/60/498218360.db2.gz IUPTWCZPACXMPX-UHFFFAOYSA-N -1 3 374.422 3.190 20 0 FGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)c1cnn(C(C)C)c1 ZINC000578701813 506000277 /nfs/dbraw/zinc/00/02/77/506000277.db2.gz MRLZIIXQNVCGGY-NSHDSACASA-N -1 3 357.863 3.166 20 0 FGADHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)c3n[nH]c4c3CCCCC4)c2)n1 ZINC000364968844 498232568 /nfs/dbraw/zinc/23/25/68/498232568.db2.gz HBCLAYPTZGYBKH-UHFFFAOYSA-N -1 3 363.421 3.402 20 0 FGADHM CCOc1ccc(-n2c([O-])c(CC(F)(F)F)[nH]c2=O)c2ncccc12 ZINC000285896407 498234970 /nfs/dbraw/zinc/23/49/70/498234970.db2.gz FAYVKGVQNKLJFT-SNVBAGLBSA-N -1 3 353.300 3.011 20 0 FGADHM CN(C(=O)/C=C/c1cncc([O-])c1)C1CCN(c2cccc(F)c2)CC1 ZINC000364982109 498238418 /nfs/dbraw/zinc/23/84/18/498238418.db2.gz OHJKJDFPOHESHZ-AATRIKPKSA-N -1 3 355.413 3.067 20 0 FGADHM CCC(CC)[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(OC)cc2F)CCO1 ZINC000331093497 498251368 /nfs/dbraw/zinc/25/13/68/498251368.db2.gz JSYBDVKIUQTSJI-CZUORRHYSA-N -1 3 359.463 3.096 20 0 FGADHM Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3ccc([N-]S(C)(=O)=O)cc3)C2)cc1 ZINC000331101600 498252301 /nfs/dbraw/zinc/25/23/01/498252301.db2.gz DETCNCYGVZYKDM-CRAIPNDOSA-N -1 3 372.490 3.385 20 0 FGADHM CCc1ccc(NC(=O)Cc2noc(-c3n[n-]nc3-c3ccccc3)n2)cc1 ZINC000581514690 506005050 /nfs/dbraw/zinc/00/50/50/506005050.db2.gz BMDFIMHIKAHTNZ-UHFFFAOYSA-N -1 3 374.404 3.265 20 0 FGADHM COc1ccc(C[C@](C)(O)CNCc2cccc([O-])c2Cl)cc1OC ZINC000293087941 498264051 /nfs/dbraw/zinc/26/40/51/498264051.db2.gz WVHFBCHKNAOMFY-IBGZPJMESA-N -1 3 365.857 3.146 20 0 FGADHM C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000331228015 498280079 /nfs/dbraw/zinc/28/00/79/498280079.db2.gz GEHPNBXDXFYSCW-KSSFIOAISA-N -1 3 358.463 3.076 20 0 FGADHM Cc1cccc(C(=O)N2C[C@@H](C(=O)OC(C)(C)C)[C@H](C(F)(F)F)C2)c1[O-] ZINC000331247968 498283448 /nfs/dbraw/zinc/28/34/48/498283448.db2.gz WIJXFNXIOXVKOB-CHWSQXEVSA-N -1 3 373.371 3.293 20 0 FGADHM COc1ccc([O-])c(C(=O)N2CC3(CCOCC3)[C@H]2c2ccccc2)c1 ZINC000581534982 506010430 /nfs/dbraw/zinc/01/04/30/506010430.db2.gz NWBSFDPDCKLSAK-LJQANCHMSA-N -1 3 353.418 3.395 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]C[C@H]2CC(=O)Nc3ccccc32)sc1Cl ZINC000365102596 498297300 /nfs/dbraw/zinc/29/73/00/498297300.db2.gz XVIWESCKFTZHAB-SNVBAGLBSA-N -1 3 370.883 3.114 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(N3CC[C@@H](Cc4ccncc4)C3)nc2)n1 ZINC000360690678 498298441 /nfs/dbraw/zinc/29/84/41/498298441.db2.gz KCTUUTWXYFNMBM-INIZCTEOSA-N -1 3 361.449 3.271 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)[C@@H]1CCO[C@H](C)C1)c1nc(C(F)(F)F)cs1 ZINC000331347877 498307684 /nfs/dbraw/zinc/30/76/84/498307684.db2.gz WWNCZILRSADSFP-BBBLOLIVSA-N -1 3 372.434 3.100 20 0 FGADHM CC(C)(C)OC(=O)[C@@]1(C)CCN(C(=O)Cc2ccc([O-])cc2Cl)C1 ZINC000331356922 498308501 /nfs/dbraw/zinc/30/85/01/498308501.db2.gz SNUXSHBOYXLTQP-SFHVURJKSA-N -1 3 353.846 3.168 20 0 FGADHM C[C@@H](CC(=O)Nc1c([O-])cccc1Cl)S(=O)(=O)c1ccc(F)cc1 ZINC000572625756 506014807 /nfs/dbraw/zinc/01/48/07/506014807.db2.gz VMSMZSIOTFQGDY-JTQLQIEISA-N -1 3 371.817 3.376 20 0 FGADHM C[C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O)C(C)(F)F ZINC000293244313 498318341 /nfs/dbraw/zinc/31/83/41/498318341.db2.gz YTXPHLPHHUYAEA-ZETCQYMHSA-N -1 3 374.331 3.307 20 0 FGADHM CC(C)(C)OC(=O)N[C@@H]1CCC[C@]12CCN(C(=O)c1cccc([O-])c1)C2 ZINC000365149071 498322724 /nfs/dbraw/zinc/32/27/24/498322724.db2.gz VMUUDRYVAQPQPV-OXQOHEQNSA-N -1 3 360.454 3.302 20 0 FGADHM COc1c(C(=O)[N-]c2nnc([C@@H]3CCCc4ccccc43)s2)cnn1C ZINC000575848832 506017665 /nfs/dbraw/zinc/01/76/65/506017665.db2.gz WAFNJJGPHQMQLP-CYBMUJFWSA-N -1 3 369.450 3.001 20 0 FGADHM CC(=O)N(c1ccc(NC(=O)[N-]OCCC(F)(F)F)cc1)[C@@H]1C[C@@H]1C ZINC000297168870 498342790 /nfs/dbraw/zinc/34/27/90/498342790.db2.gz TUMYOTDOTDQTDF-IINYFYTJSA-N -1 3 359.348 3.453 20 0 FGADHM CC(C)(C)C(=O)N1CCc2cc(C(=O)NCc3ccc([O-])c(F)c3)ccc21 ZINC000361102960 498345173 /nfs/dbraw/zinc/34/51/73/498345173.db2.gz GJOJGTCYPURAKC-UHFFFAOYSA-N -1 3 370.424 3.397 20 0 FGADHM Cc1nc(NC([O-])=NOC(C)(C)CO)sc1Cc1ccccc1F ZINC000297194391 498353393 /nfs/dbraw/zinc/35/33/93/498353393.db2.gz PWZFHECXDVNIMH-UHFFFAOYSA-N -1 3 353.419 3.005 20 0 FGADHM Cc1nc(NC(=O)[N-]OC(C)(C)CO)sc1Cc1ccccc1F ZINC000297194391 498353398 /nfs/dbraw/zinc/35/33/98/498353398.db2.gz PWZFHECXDVNIMH-UHFFFAOYSA-N -1 3 353.419 3.005 20 0 FGADHM Cn1cc(-c2nc(-c3ccc([O-])c4ccccc34)no2)c([C@H]2CCOC2)n1 ZINC000293351723 498356128 /nfs/dbraw/zinc/35/61/28/498356128.db2.gz FUCWTWHOENTGHN-LBPRGKRZSA-N -1 3 362.389 3.500 20 0 FGADHM [O-]c1cc(CN[C@]2(CO)CCOc3ccccc32)cc(C(F)(F)F)c1 ZINC000289940893 498362184 /nfs/dbraw/zinc/36/21/84/498362184.db2.gz UGURCKVLZYIVGP-KRWDZBQOSA-N -1 3 353.340 3.171 20 0 FGADHM COc1cc(Br)c(NC([O-])=NOC/C=C/Cl)cc1OC ZINC000289955504 498369069 /nfs/dbraw/zinc/36/90/69/498369069.db2.gz XVWJNSLMUSKENV-ONEGZZNKSA-N -1 3 365.611 3.272 20 0 FGADHM COc1cc(Br)c(NC(=O)[N-]OC/C=C/Cl)cc1OC ZINC000289955504 498369074 /nfs/dbraw/zinc/36/90/74/498369074.db2.gz XVWJNSLMUSKENV-ONEGZZNKSA-N -1 3 365.611 3.272 20 0 FGADHM CC[C@@H](C)CON=C([O-])Nc1cc(Br)cnc1-n1cccn1 ZINC000297261995 498381789 /nfs/dbraw/zinc/38/17/89/498381789.db2.gz SYUSHKJAGZGDIL-SNVBAGLBSA-N -1 3 368.235 3.129 20 0 FGADHM CC[C@@H](C)CO[N-]C(=O)Nc1cc(Br)cnc1-n1cccn1 ZINC000297261995 498381796 /nfs/dbraw/zinc/38/17/96/498381796.db2.gz SYUSHKJAGZGDIL-SNVBAGLBSA-N -1 3 368.235 3.129 20 0 FGADHM C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)N=c2cc(OC(F)F)n(C)[n-]2)C1 ZINC000331591980 498384328 /nfs/dbraw/zinc/38/43/28/498384328.db2.gz UHQSEBHEYMCDIL-ZWNOBZJWSA-N -1 3 368.359 3.198 20 0 FGADHM COc1cccc2c(C(=O)Nc3ccccc3C(=O)N3CCCC3)[n-]nc21 ZINC000289993317 498386552 /nfs/dbraw/zinc/38/65/52/498386552.db2.gz UAGXTTOLEPXWOO-UHFFFAOYSA-N -1 3 364.405 3.060 20 0 FGADHM COc1cccc2c(C(=O)Nc3ccccc3C(=O)N3CCCC3)n[n-]c21 ZINC000289993317 498386560 /nfs/dbraw/zinc/38/65/60/498386560.db2.gz UAGXTTOLEPXWOO-UHFFFAOYSA-N -1 3 364.405 3.060 20 0 FGADHM C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2C(=O)c2c[n-]c3ccccc3c2=O)C1 ZINC000282172296 498410121 /nfs/dbraw/zinc/41/01/21/498410121.db2.gz RJFAGYAQEAITIK-MWLKLMTCSA-N -1 3 354.450 3.342 20 0 FGADHM Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)N=c1cc(OC(F)F)n(C)[n-]1 ZINC000331657805 498411207 /nfs/dbraw/zinc/41/12/07/498411207.db2.gz WXOGBUGMPRBRQD-LLVKDONJSA-N -1 3 368.384 3.180 20 0 FGADHM C[C@@H](CN(C)c1nc(C2CC2)nc2sc3c(c21)CCCC3)c1nnn[n-]1 ZINC000302172185 498427454 /nfs/dbraw/zinc/42/74/54/498427454.db2.gz UXJVTLBUOYVCMY-JTQLQIEISA-N -1 3 369.498 3.201 20 0 FGADHM C[C@@H](CN(C)c1nc(C2CC2)nc2sc3c(c21)CCCC3)c1nn[n-]n1 ZINC000302172185 498427460 /nfs/dbraw/zinc/42/74/60/498427460.db2.gz UXJVTLBUOYVCMY-JTQLQIEISA-N -1 3 369.498 3.201 20 0 FGADHM Cc1ccc(C(C)(C)CN(C)C[C@H](O)COc2ccc(C(=O)[O-])cc2)cc1 ZINC000569858658 506032895 /nfs/dbraw/zinc/03/28/95/506032895.db2.gz WJBCNVBMWYGILN-IBGZPJMESA-N -1 3 371.477 3.343 20 0 FGADHM Cc1cnc([C@H]([N-]S(=O)(=O)c2nc3ccccc3s2)C2CC2)s1 ZINC000572716922 506034610 /nfs/dbraw/zinc/03/46/10/506034610.db2.gz FMYUFABWMSQDLQ-CYBMUJFWSA-N -1 3 365.505 3.491 20 0 FGADHM COCc1nc(C[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cs1 ZINC000290177918 498453794 /nfs/dbraw/zinc/45/37/94/498453794.db2.gz QMPSJBCUUZCTSE-UHFFFAOYSA-N -1 3 367.279 3.075 20 0 FGADHM CCc1onc(-c2ccccc2)c1C(=O)[N-]c1ncn(-c2cccnc2)n1 ZINC000365418978 498459072 /nfs/dbraw/zinc/45/90/72/498459072.db2.gz IRRCWQFDFXPEAA-UHFFFAOYSA-N -1 3 360.377 3.132 20 0 FGADHM COc1ccc2c(c1)[C@H](C)CN(C(=O)c1cc(OC)c([O-])c(OC)c1)CC2 ZINC000362407707 498511287 /nfs/dbraw/zinc/51/12/87/498511287.db2.gz MEBJTXDLNVQOIT-CYBMUJFWSA-N -1 3 371.433 3.220 20 0 FGADHM COc1ccc(C(=O)N2CCC(c3ccnc(C(C)C)n3)CC2)c([O-])c1 ZINC000362472789 498522028 /nfs/dbraw/zinc/52/20/28/498522028.db2.gz KUJWROMTKKBHLU-UHFFFAOYSA-N -1 3 355.438 3.334 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H](C)[C@@H](O)c3ccc(F)cc3)nc2)n1 ZINC000302655353 498523890 /nfs/dbraw/zinc/52/38/90/498523890.db2.gz KTESXXUBNUTIJB-CWTRNNRKSA-N -1 3 368.412 3.480 20 0 FGADHM Cc1ncc2n1CC[C@H](C(=O)Nc1cc(C)cc(Br)c1[O-])C2 ZINC000290381819 498530976 /nfs/dbraw/zinc/53/09/76/498530976.db2.gz JXCSVXMKVPQSQJ-NSHDSACASA-N -1 3 364.243 3.169 20 0 FGADHM O=C([N-]C[C@H]1CCCN(C(=O)c2cccc3ccsc32)C1)C(F)(F)F ZINC000290407307 498540953 /nfs/dbraw/zinc/54/09/53/498540953.db2.gz QJPLLGNACHMTSD-LLVKDONJSA-N -1 3 370.396 3.432 20 0 FGADHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H](O)CCc3ccccc3)c2)n1 ZINC000362706427 498542763 /nfs/dbraw/zinc/54/27/63/498542763.db2.gz PXGVDTIUMYASTP-SFHVURJKSA-N -1 3 363.417 3.090 20 0 FGADHM CSc1ccccc1C(=O)NC1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000362748278 498548754 /nfs/dbraw/zinc/54/87/54/498548754.db2.gz PHOKHEPYXYZGEY-UHFFFAOYSA-N -1 3 370.474 3.149 20 0 FGADHM O=C(/C=C/c1ccc(Cl)cc1)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000290460150 498561617 /nfs/dbraw/zinc/56/16/17/498561617.db2.gz VFDNYEXFLXGYLP-OQHXTRMZSA-N -1 3 374.790 3.270 20 0 FGADHM O=C(Nc1ccccc1[O-])C1CCN(c2ncnc3c(F)cccc32)CC1 ZINC000302772023 498566366 /nfs/dbraw/zinc/56/63/66/498566366.db2.gz CNQZMVCNGOEFFY-UHFFFAOYSA-N -1 3 366.396 3.330 20 0 FGADHM CCOC(=O)c1cc(C(=O)O[C@@H](c2ccccn2)C(F)(F)F)[n-]c1C ZINC000297813484 498575608 /nfs/dbraw/zinc/57/56/08/498575608.db2.gz NYTRJNREQHSHGA-ZDUSSCGKSA-N -1 3 356.300 3.355 20 0 FGADHM C[C@@H](C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1)N1CCCCCC1 ZINC000365647452 498576699 /nfs/dbraw/zinc/57/66/99/498576699.db2.gz PLVSATRTRFKAOV-INIZCTEOSA-N -1 3 358.482 3.078 20 0 FGADHM CC(=O)NCc1ccc([C@@H]2CCCN2C(=O)c2cc([O-])ccc2Cl)o1 ZINC000365652803 498579091 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/nfs/dbraw/zinc/98/29/71/498982971.db2.gz DXYLGXVGXFDDMW-UHFFFAOYSA-N -1 3 362.426 3.036 20 0 FGADHM C[C@H](CCCNC(=O)OC(C)(C)C)NC(=O)c1cc([O-])ccc1Cl ZINC000295340709 498986544 /nfs/dbraw/zinc/98/65/44/498986544.db2.gz JQLDLSBFTOTHHW-LLVKDONJSA-N -1 3 356.850 3.469 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)CCOCc1ccccc1)c1nc(C)cs1 ZINC000295384161 499000078 /nfs/dbraw/zinc/00/00/78/499000078.db2.gz AVIANLPKNGHJNC-HNNXBMFYSA-N -1 3 354.497 3.039 20 0 FGADHM CCCCc1nnc([N-]C(=O)c2n[nH]c(C3CC3)c2Br)s1 ZINC000299233329 499001070 /nfs/dbraw/zinc/00/10/70/499001070.db2.gz KSZGALPIZIUTTB-UHFFFAOYSA-N -1 3 370.276 3.496 20 0 FGADHM CC(C)(C)n1cnc(C(=O)[N-]c2cc(F)cc(Br)c2F)n1 ZINC000291633968 499018137 /nfs/dbraw/zinc/01/81/37/499018137.db2.gz BFDQGBPGSRLCEU-UHFFFAOYSA-N -1 3 359.174 3.326 20 0 FGADHM Cc1cc(=O)cc(C)n1CCCC(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000291641016 499019886 /nfs/dbraw/zinc/01/98/86/499019886.db2.gz ITPZHVUYGFDOGE-AWEZNQCLSA-N -1 3 354.450 3.491 20 0 FGADHM 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/nfs/dbraw/zinc/10/07/65/499100765.db2.gz CMYZNCRNECUKJA-CQSZACIVSA-N -1 3 363.483 3.259 20 0 FGADHM O=c1[n-]c(CN2CCC[C@@H]2[C@@H]2CCC[C@H]2O)nc2c3ccccc3oc21 ZINC000582103669 506134400 /nfs/dbraw/zinc/13/44/00/506134400.db2.gz VOBASZXRKZTNLH-NWANDNLSSA-N -1 3 353.422 3.207 20 0 FGADHM [O-]C(=NOC1CCCC1)Nc1ccc(Cl)c(F)c1N1CCOCC1 ZINC000284512211 499118504 /nfs/dbraw/zinc/11/85/04/499118504.db2.gz VTTQKIGYYHJFGM-UHFFFAOYSA-N -1 3 357.813 3.311 20 0 FGADHM O=C([N-]OC1CCCC1)Nc1ccc(Cl)c(F)c1N1CCOCC1 ZINC000284512211 499118505 /nfs/dbraw/zinc/11/85/05/499118505.db2.gz VTTQKIGYYHJFGM-UHFFFAOYSA-N -1 3 357.813 3.311 20 0 FGADHM O=S(=O)(C[C@H]1CCCCO1)[N-]c1ccc2c(c1)OC1(CCCCC1)O2 ZINC000329490139 499127781 /nfs/dbraw/zinc/12/77/81/499127781.db2.gz SKCRPXYTBHARDP-OAHLLOKOSA-N -1 3 367.467 3.429 20 0 FGADHM C[C@H]1CCC[C@H](C)N(C(=O)NC2CCN(C(=O)c3cccc([O-])c3)CC2)C1 ZINC000369870739 499142469 /nfs/dbraw/zinc/14/24/69/499142469.db2.gz GZDQVJRWZVTOEP-HOTGVXAUSA-N -1 3 373.497 3.217 20 0 FGADHM CC[C@@]1(C)CCCN(C(=O)NC2CCN(C(=O)c3cccc([O-])c3)CC2)C1 ZINC000369873704 499143125 /nfs/dbraw/zinc/14/31/25/499143125.db2.gz UROAYKHKHDZKBR-NRFANRHFSA-N -1 3 373.497 3.219 20 0 FGADHM C[C@H](C(=O)N1CCC(C)CC1)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000372643587 499157093 /nfs/dbraw/zinc/15/70/93/499157093.db2.gz YQMYDSRGDDLHGE-MRXNPFEDSA-N -1 3 358.482 3.211 20 0 FGADHM C[C@@H](C(=O)[O-])[C@H](C)NCc1ncc(-c2cccc(Br)c2)o1 ZINC000570286700 506133528 /nfs/dbraw/zinc/13/35/28/506133528.db2.gz MRJACIOOQCFKEH-ZJUUUORDSA-N -1 3 353.216 3.303 20 0 FGADHM Cn1ncc2c1ncc(C(=O)N1CC[C@@](F)(c3ccccc3Cl)C1)c2[O-] ZINC000367305166 499177316 /nfs/dbraw/zinc/17/73/16/499177316.db2.gz KTJCZLIURLNYLH-SFHVURJKSA-N -1 3 374.803 3.038 20 0 FGADHM Cc1n[n-]c(=NC[C@@H]2CCCN(C)[C@@H]2c2ccc(C(F)(F)F)cc2)o1 ZINC000367328555 499182332 /nfs/dbraw/zinc/18/23/32/499182332.db2.gz ZRRBITBAPQWXJI-DZGCQCFKSA-N -1 3 354.376 3.314 20 0 FGADHM O=C(c1ccc([O-])cc1)C1CCN(Cc2c[nH]nc2-c2cccnc2)CC1 ZINC000367353288 499187089 /nfs/dbraw/zinc/18/70/89/499187089.db2.gz HZCYNVLBEONIRA-UHFFFAOYSA-N -1 3 362.433 3.272 20 0 FGADHM O=C([O-])[C@]1(C(F)(F)F)CCN(CCc2cccc(OC(F)(F)F)c2)C1 ZINC000576353382 506137528 /nfs/dbraw/zinc/13/75/28/506137528.db2.gz WRBWLFPOWZWGTI-ZDUSSCGKSA-N -1 3 371.277 3.467 20 0 FGADHM O=C(Nc1cccc([O-])c1F)[C@@H]1C[C@@H]2CCCC[C@@H]2N1c1ncccn1 ZINC000370378832 499215020 /nfs/dbraw/zinc/21/50/20/499215020.db2.gz JMGJLEUBAWNYPD-QEJZJMRPSA-N -1 3 356.401 3.098 20 0 FGADHM O=C(Cc1cccc(Cl)c1)NC1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000370723992 499248539 /nfs/dbraw/zinc/24/85/39/499248539.db2.gz ZKGYKEGMNBRTMD-UHFFFAOYSA-N -1 3 372.852 3.009 20 0 FGADHM Cn1ncc2c1ncc(C(=O)N1CC[C@H](Cc3cccc(Cl)c3)C1)c2[O-] ZINC000367980834 499251988 /nfs/dbraw/zinc/25/19/88/499251988.db2.gz FZOKCUYGWYNDNX-CYBMUJFWSA-N -1 3 370.840 3.032 20 0 FGADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]C(C)(C)C(C)C)cc1Cl ZINC000576366626 506141132 /nfs/dbraw/zinc/14/11/32/506141132.db2.gz DDFZLASDQBDWDC-UHFFFAOYSA-N -1 3 350.843 3.150 20 0 FGADHM CC[C@H](NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)C(C)(C)c1ccccc1 ZINC000579297899 506139248 /nfs/dbraw/zinc/13/92/48/506139248.db2.gz XHNOGYZIMVOXQH-KRWDZBQOSA-N -1 3 350.418 3.056 20 0 FGADHM CCOC(=O)Cc1cccc(NC(=O)C2(c3cccnc3)CCCC2)c1[O-] ZINC000368303835 499283894 /nfs/dbraw/zinc/28/38/94/499283894.db2.gz HXMNHYXJGWFQIY-UHFFFAOYSA-N -1 3 368.433 3.343 20 0 FGADHM COc1ccccc1CC1CCN(C(=O)c2cc(F)cc3[n-]nnc32)CC1 ZINC000579307994 506141694 /nfs/dbraw/zinc/14/16/94/506141694.db2.gz QKKUEDRXSUIDJK-UHFFFAOYSA-N -1 3 368.412 3.201 20 0 FGADHM COc1cccc2c(C(=O)Nc3cccc(OC[C@@H]4CCCO4)c3)[n-]nc21 ZINC000570313651 506140061 /nfs/dbraw/zinc/14/00/61/506140061.db2.gz GTWVSRIXAMCIRY-HNNXBMFYSA-N -1 3 367.405 3.382 20 0 FGADHM COc1cccc2c(C(=O)Nc3cccc(OC[C@@H]4CCCO4)c3)n[n-]c21 ZINC000570313651 506140063 /nfs/dbraw/zinc/14/00/63/506140063.db2.gz GTWVSRIXAMCIRY-HNNXBMFYSA-N -1 3 367.405 3.382 20 0 FGADHM COc1ccccc1CC1CCN(C(=O)c2cc(F)cc3nn[n-]c32)CC1 ZINC000579307994 506141698 /nfs/dbraw/zinc/14/16/98/506141698.db2.gz QKKUEDRXSUIDJK-UHFFFAOYSA-N -1 3 368.412 3.201 20 0 FGADHM COc1ccccc1CC1CCN(C(=O)c2cc(F)cc3n[n-]nc32)CC1 ZINC000579307994 506141700 /nfs/dbraw/zinc/14/17/00/506141700.db2.gz QKKUEDRXSUIDJK-UHFFFAOYSA-N -1 3 368.412 3.201 20 0 FGADHM O=C(N[C@H](c1nc[nH]n1)c1cccc(C(F)(F)F)c1)c1ccccc1[O-] ZINC000368619199 499314198 /nfs/dbraw/zinc/31/41/98/499314198.db2.gz YPDNFEGNBWBQJG-AWEZNQCLSA-N -1 3 362.311 3.049 20 0 FGADHM Cc1nc(C)n(C[C@@H]2CCCN2Cc2cc([O-])ccc2Br)n1 ZINC000371408076 499322488 /nfs/dbraw/zinc/32/24/88/499322488.db2.gz FUUPDSDAWYNOGK-AWEZNQCLSA-N -1 3 365.275 3.028 20 0 FGADHM CCc1nccn1C[C@H]1CCCN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000371469549 499331270 /nfs/dbraw/zinc/33/12/70/499331270.db2.gz FSDCNHQELRYIES-CYBMUJFWSA-N -1 3 367.371 3.475 20 0 FGADHM CSc1ccc(C(=O)N2CCC[C@H](c3nncn3C3CC3)C2)c([O-])c1 ZINC000368935121 499348470 /nfs/dbraw/zinc/34/84/70/499348470.db2.gz ZZTUQVYYWFKQQC-LBPRGKRZSA-N -1 3 358.467 3.060 20 0 FGADHM C[C@H](NC(=O)c1ccc(O)cc1[O-])c1nnc(-c2cccc(F)c2)s1 ZINC000369016195 499357574 /nfs/dbraw/zinc/35/75/74/499357574.db2.gz IMVBQWNWNGVHOY-VIFPVBQESA-N -1 3 359.382 3.246 20 0 FGADHM O=C(NC[C@H]1CCCN(Cc2cccnc2)C1)c1ccc([O-])c(Cl)c1 ZINC000369219776 499378901 /nfs/dbraw/zinc/37/89/01/499378901.db2.gz QBSFRTSAQSNBKF-OAHLLOKOSA-N -1 3 359.857 3.083 20 0 FGADHM CC(=O)c1cccc(NC(=O)[C@@H](OC2CCOCC2)c2ccccc2)c1[O-] ZINC000573209616 506144523 /nfs/dbraw/zinc/14/45/23/506144523.db2.gz IWTPBTHGSZEIQE-FQEVSTJZSA-N -1 3 369.417 3.470 20 0 FGADHM O=S(=O)([N-][C@H](c1noc(C2CC2)n1)c1ccccc1)c1ccccc1F ZINC000369287792 499387803 /nfs/dbraw/zinc/38/78/03/499387803.db2.gz KSPADJWHMSFLJM-INIZCTEOSA-N -1 3 373.409 3.154 20 0 FGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@@H]3CCO[C@H]3C3CC3)s2)cs1 ZINC000372257773 499414436 /nfs/dbraw/zinc/41/44/36/499414436.db2.gz GBTNMEPJFSZMEK-ABAIWWIYSA-N -1 3 370.521 3.026 20 0 FGADHM Cc1c(-c2ccncc2)[n-][nH]c1=NC(=O)c1nn(CC(C)C)cc1C(F)F ZINC000372313503 499419806 /nfs/dbraw/zinc/41/98/06/499419806.db2.gz NUZGXRKZBSHOKM-UHFFFAOYSA-N -1 3 374.395 3.244 20 0 FGADHM CN1CC[C@@H](CNC(=O)c2cc(F)cc(Cl)c2[O-])[C@@H]1c1cccnc1 ZINC000369652447 499431843 /nfs/dbraw/zinc/43/18/43/499431843.db2.gz CUPXPVLNOIBCPG-LRDDRELGSA-N -1 3 363.820 3.003 20 0 FGADHM CO[C@H]1CCC[C@@H](CC(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)C1 ZINC000369662909 499433652 /nfs/dbraw/zinc/43/36/52/499433652.db2.gz JKKXEPUETGWEEC-PBHICJAKSA-N -1 3 355.438 3.279 20 0 FGADHM Cc1nc(C)c(CCC(=O)N2CCC(c3ncccc3Cl)CC2)c(=O)[n-]1 ZINC000373026509 499447992 /nfs/dbraw/zinc/44/79/92/499447992.db2.gz HMBZBMNVPNPVFQ-UHFFFAOYSA-N -1 3 374.872 3.186 20 0 FGADHM O=C(Cc1csc(NC(=O)c2cccc([O-])c2)n1)N1CCCC12CCC2 ZINC000373129453 499452928 /nfs/dbraw/zinc/45/29/28/499452928.db2.gz FJXVTXFNAZWPHG-UHFFFAOYSA-N -1 3 371.462 3.189 20 0 FGADHM CCOc1cc(-c2noc([C@@H]3Cc4ccccc4N3C(C)=O)n2)ccc1[O-] ZINC000373194561 499456657 /nfs/dbraw/zinc/45/66/57/499456657.db2.gz CECBNVHKYBKONB-INIZCTEOSA-N -1 3 365.389 3.491 20 0 FGADHM C[C@@H]1CCN(C(=O)NC2CCN(C(=O)c3cccc([O-])c3)CC2)CC1(C)C ZINC000373378944 499466402 /nfs/dbraw/zinc/46/64/02/499466402.db2.gz RVMDGKWNDUTJSN-OAHLLOKOSA-N -1 3 373.497 3.074 20 0 FGADHM O=C(NC1CCN(Cc2cscn2)CC1)c1cc([O-])c2ccccc2c1 ZINC000373442908 499469894 /nfs/dbraw/zinc/46/98/94/499469894.db2.gz RGNXPTJTZRIYMY-UHFFFAOYSA-N -1 3 367.474 3.396 20 0 FGADHM O=C(c1cc([O-])ccc1C(F)(F)F)N1CCC(c2cnccn2)CC1 ZINC000373598438 499479019 /nfs/dbraw/zinc/47/90/19/499479019.db2.gz WMPUDHOUHKWHSJ-UHFFFAOYSA-N -1 3 351.328 3.221 20 0 FGADHM CC[C@H]1CN(C(=O)c2cc([O-])ccc2C(F)(F)F)C[C@]2(CCCOC2)O1 ZINC000373705142 499484252 /nfs/dbraw/zinc/48/42/52/499484252.db2.gz IRDXVHKBZNXNKV-GUYCJALGSA-N -1 3 373.371 3.211 20 0 FGADHM CC(C)[C@@H](Oc1ccc(Cl)cc1)C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000576398037 506148559 /nfs/dbraw/zinc/14/85/59/506148559.db2.gz WQUPXPNLIHFZGB-DOTOQJQBSA-N -1 3 363.845 3.379 20 0 FGADHM COc1cc2c(cc1OC)[C@H](C)N(C(=O)c1csc(=O)[n-]1)C[C@H](C)C2 ZINC000375625682 499538784 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CCC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C(=O)OC)ccc2F)c1 ZINC000392242590 499558534 /nfs/dbraw/zinc/55/85/34/499558534.db2.gz ZDPQGHJUQRWUGE-UHFFFAOYSA-N -1 3 365.382 3.006 20 0 FGADHM CCCc1nc(=NC(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)s[n-]1 ZINC000576404361 506149938 /nfs/dbraw/zinc/14/99/38/506149938.db2.gz JELKSIIXUUMESO-INIZCTEOSA-N -1 3 373.526 3.041 20 0 FGADHM C[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Cl)c(Br)c2)CS1 ZINC000397864976 499564865 /nfs/dbraw/zinc/56/48/65/499564865.db2.gz QAYARWVCEXSQEO-YUMQZZPRSA-N -1 3 370.721 3.275 20 0 FGADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)Nc1ccsc1Cl ZINC000376065248 499580124 /nfs/dbraw/zinc/58/01/24/499580124.db2.gz GPWZUYOLIACUPT-UHFFFAOYSA-N -1 3 360.826 3.449 20 0 FGADHM O=C(Cc1ccc([O-])cc1Cl)N1CC[C@@H](c2ccccc2)[C@@H](CO)C1 ZINC000376073748 499580847 /nfs/dbraw/zinc/58/08/47/499580847.db2.gz HRNMGCOHZLZQJD-AEFFLSMTSA-N -1 3 359.853 3.213 20 0 FGADHM C[N-]S(=O)(=O)c1cc(-c2nc(C3C[C@@H](C)C[C@H](C)C3)no2)c(C)o1 ZINC000408228508 499581230 /nfs/dbraw/zinc/58/12/30/499581230.db2.gz YBVBNOSZYHDRSL-UWVGGRQHSA-N -1 3 353.444 3.086 20 0 FGADHM CC1(C)[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)[C@@H]2CCO[C@H]21 ZINC000408385311 499586277 /nfs/dbraw/zinc/58/62/77/499586277.db2.gz LIBQSEAMBXVKBO-ZWKOPEQDSA-N -1 3 350.267 3.085 20 0 FGADHM O=C([N-]c1ncn(-c2ccccn2)n1)c1cc(C(F)(F)F)ccc1F ZINC000376169389 499588554 /nfs/dbraw/zinc/58/85/54/499588554.db2.gz YZRGDWDOONTKOY-UHFFFAOYSA-N -1 3 351.263 3.073 20 0 FGADHM COC(=O)c1csc(S(=O)(=O)[N-]Cc2cccc3ccccc32)c1 ZINC000409509869 499602328 /nfs/dbraw/zinc/60/23/28/499602328.db2.gz YOEPPVURVHFLQX-UHFFFAOYSA-N -1 3 361.444 3.166 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H]3CCC[C@H]3OC(F)F)nc2)n1 ZINC000409534569 499604523 /nfs/dbraw/zinc/60/45/23/499604523.db2.gz IOKNRHCAAOMYAP-CHWSQXEVSA-N -1 3 350.369 3.379 20 0 FGADHM O=C(Nc1n[n-]c(-c2ccc(Br)cc2F)n1)c1ccccn1 ZINC000409542598 499605020 /nfs/dbraw/zinc/60/50/20/499605020.db2.gz IBKIKRJCRRRBJM-UHFFFAOYSA-N -1 3 362.162 3.021 20 0 FGADHM CCCSCC(=O)Nc1n[n-]c(-c2ccc(Br)cc2F)n1 ZINC000409544237 499605033 /nfs/dbraw/zinc/60/50/33/499605033.db2.gz QKLZXNKCKSZUKW-UHFFFAOYSA-N -1 3 373.251 3.455 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)c3c(F)cccc3SC)[n-]c21 ZINC000409841394 499624683 /nfs/dbraw/zinc/62/46/83/499624683.db2.gz APPFWERXMAXBNU-UHFFFAOYSA-N -1 3 359.382 3.463 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3c(F)cccc3SC)nc21 ZINC000409841394 499624684 /nfs/dbraw/zinc/62/46/84/499624684.db2.gz APPFWERXMAXBNU-UHFFFAOYSA-N -1 3 359.382 3.463 20 0 FGADHM O=S(=O)([N-]CCCc1c[nH]c2ccc(F)cc12)c1ccc(F)c(F)c1 ZINC000409909340 499628865 /nfs/dbraw/zinc/62/88/65/499628865.db2.gz USFWBMJNAVWAEF-UHFFFAOYSA-N -1 3 368.380 3.496 20 0 FGADHM CN(CCC[N-]C(=O)C(F)(F)F)[C@H](c1cccc(F)c1)c1ccccn1 ZINC000376805450 499635806 /nfs/dbraw/zinc/63/58/06/499635806.db2.gz CTXUBPHOHVEITO-MRXNPFEDSA-N -1 3 369.362 3.311 20 0 FGADHM Cc1nc(-c2ccc(NC(=O)N3CCOC[C@H]3C3CCC3)cc2)cc(=O)[n-]1 ZINC000579350192 506153385 /nfs/dbraw/zinc/15/33/85/506153385.db2.gz 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C[C@@H]1CCCC[C@H]1CCNC(=O)C(=O)[N-]c1nccn1-c1ccccc1 ZINC000411237848 499715635 /nfs/dbraw/zinc/71/56/35/499715635.db2.gz NVRCKKXVLHSMCZ-CVEARBPZSA-N -1 3 354.454 3.143 20 0 FGADHM O=C(Nc1nnc(-c2ccco2)[n-]1)[C@H]1CCCCN1Cc1ccccc1 ZINC000411287194 499721866 /nfs/dbraw/zinc/72/18/66/499721866.db2.gz ANZJDDMRPYRQMC-OAHLLOKOSA-N -1 3 351.410 3.058 20 0 FGADHM O=C(Nc1n[n-]c(-c2ccco2)n1)[C@H]1CCCCN1Cc1ccccc1 ZINC000411287194 499721868 /nfs/dbraw/zinc/72/18/68/499721868.db2.gz ANZJDDMRPYRQMC-OAHLLOKOSA-N -1 3 351.410 3.058 20 0 FGADHM O=C(Nc1nc(-c2ccco2)n[n-]1)[C@H]1CCCCN1Cc1ccccc1 ZINC000411287194 499721869 /nfs/dbraw/zinc/72/18/69/499721869.db2.gz ANZJDDMRPYRQMC-OAHLLOKOSA-N -1 3 351.410 3.058 20 0 FGADHM CO[C@@H](c1noc(-c2n[n-]nc2-c2ccccc2)n1)c1ccc(F)cc1 ZINC000579367561 506157381 /nfs/dbraw/zinc/15/73/81/506157381.db2.gz JVIHXVRCXKOMQA-MRXNPFEDSA-N -1 3 351.341 3.397 20 0 FGADHM CC(C)CN(CC(C)(C)C)C(=O)C(=O)[N-]c1nccn1-c1ccccc1 ZINC000411410761 499736657 /nfs/dbraw/zinc/73/66/57/499736657.db2.gz DVZRRTSBSGVISL-UHFFFAOYSA-N -1 3 356.470 3.342 20 0 FGADHM CC[C@@H]1CCCC[C@H]1N(C)C(=O)C(=O)[N-]c1nccn1-c1ccccc1 ZINC000411423733 499738205 /nfs/dbraw/zinc/73/82/05/499738205.db2.gz YMWGZHKTIHAULR-NVXWUHKLSA-N -1 3 354.454 3.238 20 0 FGADHM O=S(=O)(CCC1CCC1)[N-][C@H](c1noc(C2CC2)n1)c1ccccc1 ZINC000377863177 499743194 /nfs/dbraw/zinc/74/31/94/499743194.db2.gz CYQCTWXXCNJUFX-INIZCTEOSA-N -1 3 361.467 3.146 20 0 FGADHM CC[C@H](C)NC(=O)c1ccc(NC(=O)c2ccc(C(C)=O)c([O-])c2)cc1 ZINC000411587533 499766317 /nfs/dbraw/zinc/76/63/17/499766317.db2.gz KJEQELCRTNDFTL-LBPRGKRZSA-N -1 3 354.406 3.375 20 0 FGADHM CC(=O)c1ccc(C(=O)N2CCC(Nc3ccc(F)cc3)CC2)cc1[O-] ZINC000411604091 499768290 /nfs/dbraw/zinc/76/82/90/499768290.db2.gz NOPVQJCZIGUPTO-UHFFFAOYSA-N -1 3 356.397 3.451 20 0 FGADHM O=C(N[C@@H](CCc1ccccc1)C(F)(F)F)c1cc(=O)[n-]c(C2CC2)n1 ZINC000579372144 506158731 /nfs/dbraw/zinc/15/87/31/506158731.db2.gz KBDBYZNRXOOCQI-AWEZNQCLSA-N -1 3 365.355 3.353 20 0 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XORHPABSBOTJNU-UHFFFAOYSA-N -1 3 370.421 3.014 20 0 FGADHM CCn1cccc([N-]S(=O)(=O)c2cc(C(C)C)ccc2Cl)c1=O ZINC000414398993 499786709 /nfs/dbraw/zinc/78/67/09/499786709.db2.gz URWVVBJYYWXCRJ-UHFFFAOYSA-N -1 3 354.859 3.446 20 0 FGADHM CC(C)c1ccc(O[C@@H](C)CNC(=O)c2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC000579375180 506159579 /nfs/dbraw/zinc/15/95/79/506159579.db2.gz ZRNHJKCAFWODQH-ZDUSSCGKSA-N -1 3 355.438 3.380 20 0 FGADHM CO[C@@H](C)CS(=O)(=O)[N-]c1ccnc(Oc2ccccc2Cl)c1 ZINC000414459615 499795124 /nfs/dbraw/zinc/79/51/24/499795124.db2.gz BPMRHFYYFOEHFM-NSHDSACASA-N -1 3 356.831 3.304 20 0 FGADHM CCOc1cc(CN2CCCO[C@H](CF)C2)cc(Br)c1[O-] ZINC000414473629 499796738 /nfs/dbraw/zinc/79/67/38/499796738.db2.gz BGIIBXBTSORDKB-GFCCVEGCSA-N -1 3 362.239 3.114 20 0 FGADHM CC(C)(C)[C@@H]1CCC[C@@H]1NC(=O)C(=O)[N-]c1nccn1-c1ccccc1 ZINC000411892772 499801222 /nfs/dbraw/zinc/80/12/22/499801222.db2.gz NQAOLABUZTYMJO-CVEARBPZSA-N -1 3 354.454 3.142 20 0 FGADHM O=C(c1c[n-]c2c(Cl)cccc2c1=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000412172658 499830448 /nfs/dbraw/zinc/83/04/48/499830448.db2.gz VUDLJAMDGJWSEV-HNNXBMFYSA-N -1 3 356.813 3.272 20 0 FGADHM O=C(c1cnc2c(Cl)cccc2c1[O-])N1CCCC[C@H]1c1cn[nH]c1 ZINC000412172658 499830450 /nfs/dbraw/zinc/83/04/50/499830450.db2.gz VUDLJAMDGJWSEV-HNNXBMFYSA-N -1 3 356.813 3.272 20 0 FGADHM COc1ccc([C@H](OC)[C@@H](C)NC(=O)c2ccc(C(C)=O)c([O-])c2)cc1 ZINC000412228994 499836473 /nfs/dbraw/zinc/83/64/73/499836473.db2.gz MAGSQQZDQOOIOO-CWTRNNRKSA-N -1 3 357.406 3.109 20 0 FGADHM CC(=O)c1ccc(C(=O)NC[C@H]2CCCN(c3ccccc3)C2)cc1[O-] ZINC000412298824 499842443 /nfs/dbraw/zinc/84/24/43/499842443.db2.gz GMINJSNWGQDACL-MRXNPFEDSA-N -1 3 352.434 3.241 20 0 FGADHM CC(C)[C@@H](Oc1cccc(Cl)c1)C(=O)N=c1[nH][n-]cc1Br ZINC000412344629 499846900 /nfs/dbraw/zinc/84/69/00/499846900.db2.gz YCAPXUWESICDIE-GFCCVEGCSA-N -1 3 372.650 3.290 20 0 FGADHM COc1ccc2c(c1)[n-]cc(C(=O)N1CC[C@@H](C(F)(F)F)C[C@@H]1C)c2=O ZINC000412381811 499850283 /nfs/dbraw/zinc/85/02/83/499850283.db2.gz LCHYKONMQABVCB-WDEREUQCSA-N -1 3 368.355 3.340 20 0 FGADHM COc1ccc2c(c1)[n-]cc(C(=O)N1CC[C@H](C(F)(F)F)C[C@H]1C)c2=O ZINC000412381808 499850301 /nfs/dbraw/zinc/85/03/01/499850301.db2.gz LCHYKONMQABVCB-MNOVXSKESA-N -1 3 368.355 3.340 20 0 FGADHM CC(=O)c1ccc(C(=O)N2CCN(Cc3ccccc3)C[C@@H](C)C2)cc1[O-] ZINC000412385905 499850831 /nfs/dbraw/zinc/85/08/31/499850831.db2.gz YQEFRCQTNYOKHS-MRXNPFEDSA-N -1 3 366.461 3.189 20 0 FGADHM CC[C@@H](c1n[n-]c(=NC(=O)N2CCC[C@@H](C)[C@@H]2CN)s1)c1ccccc1 ZINC000415166675 499872192 /nfs/dbraw/zinc/87/21/92/499872192.db2.gz NMILHRDKOQZPIC-BMFZPTHFSA-N -1 3 373.526 3.093 20 0 FGADHM CC[C@H](NC(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1)[C@H](O)C(C)C ZINC000412731066 499880105 /nfs/dbraw/zinc/88/01/05/499880105.db2.gz WNDZDLLUWJFQQD-RBUKOAKNSA-N -1 3 355.434 3.149 20 0 FGADHM COc1ccc(C(=O)N2CCC[C@@H](CCC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000412894210 499894175 /nfs/dbraw/zinc/89/41/75/499894175.db2.gz CLTBGSBMUJYRIK-AWEZNQCLSA-N -1 3 363.454 3.375 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H](C)C(=O)OC(C)(C)C)c2)n1 ZINC000413175110 499922596 /nfs/dbraw/zinc/92/25/96/499922596.db2.gz QUPBSMGLSJIGSA-GFCCVEGCSA-N -1 3 371.437 3.328 20 0 FGADHM CCSCc1cc(C(=O)[N-]c2ccc(C(=O)N(C)C)cc2F)no1 ZINC000416011523 499940864 /nfs/dbraw/zinc/94/08/64/499940864.db2.gz JKAXSWJRKNMBDQ-UHFFFAOYSA-N -1 3 351.403 3.021 20 0 FGADHM CO[C@@](C)([C@@H](C)NC(=O)NCc1ccc([O-])c(Br)c1)C1CC1 ZINC000413386217 499947823 /nfs/dbraw/zinc/94/78/23/499947823.db2.gz JUBHQJQJVNXUNN-HWPZZCPQSA-N -1 3 371.275 3.158 20 0 FGADHM CCC(CC)(CNC(=O)Cc1ccc([O-])c(F)c1)C(=O)OC(C)(C)C ZINC000424945039 499972212 /nfs/dbraw/zinc/97/22/12/499972212.db2.gz XOBXQQFBXXASBY-UHFFFAOYSA-N -1 3 353.434 3.338 20 0 FGADHM CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1cccc(NC(=O)C(C)C)c1 ZINC000421155300 499974505 /nfs/dbraw/zinc/97/45/05/499974505.db2.gz ODMMCXADOQSXAF-MRXNPFEDSA-N -1 3 356.488 3.084 20 0 FGADHM CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1cnc(C(F)(F)F)cc1C ZINC000421162842 499978933 /nfs/dbraw/zinc/97/89/33/499978933.db2.gz GOTYRBMGBBKMBX-LLVKDONJSA-N -1 3 354.394 3.212 20 0 FGADHM CCOC(=O)c1cnc([N-]C(=O)Nc2cccc(O[C@H](C)CC)c2)n1C ZINC000417129241 499981611 /nfs/dbraw/zinc/98/16/11/499981611.db2.gz VPMVVUHEHRLTLA-GFCCVEGCSA-N -1 3 360.414 3.418 20 0 FGADHM C[C@@H]1CCCN(C(=O)Cc2ccc([O-])c(F)c2)[C@H]1C(=O)OC(C)(C)C ZINC000425058853 500008674 /nfs/dbraw/zinc/00/86/74/500008674.db2.gz YKWCLKPXMALJOZ-SJKOYZFVSA-N -1 3 351.418 3.043 20 0 FGADHM O=S(=O)(CCOCC1CCCC1)[N-][C@H](c1ccco1)c1ccccc1 ZINC000416369570 500029324 /nfs/dbraw/zinc/02/93/24/500029324.db2.gz GJHQMOGFWCLIBZ-IBGZPJMESA-N -1 3 363.479 3.495 20 0 FGADHM CO[C@H](C)c1nc(C[N-]S(=O)(=O)c2c(C)cccc2Cl)cs1 ZINC000416413812 500039819 /nfs/dbraw/zinc/03/98/19/500039819.db2.gz DQERWVYEAMGWTD-SNVBAGLBSA-N -1 3 360.888 3.291 20 0 FGADHM CC(C)c1nc(S(=O)(=O)[N-]C[C@@H]2CCC[C@@H](C(F)(F)F)C2)cn1C ZINC000416417081 500040730 /nfs/dbraw/zinc/04/07/30/500040730.db2.gz MTQSGJPUZKRMRL-VXGBXAGGSA-N -1 3 367.437 3.191 20 0 FGADHM CCSc1nnc([N-]C(=O)c2nnn(Cc3ccccc3)c2CC)s1 ZINC000421413240 500041377 /nfs/dbraw/zinc/04/13/77/500041377.db2.gz GWBMOSJDPYPWTC-UHFFFAOYSA-N -1 3 374.495 3.105 20 0 FGADHM O=C(C[N-]S(=O)(=O)C[C@H]1CCCCC1(F)F)C1CCC(F)(F)CC1 ZINC000425195332 500041455 /nfs/dbraw/zinc/04/14/55/500041455.db2.gz QQGBFLSOPRAOLM-GFCCVEGCSA-N -1 3 373.412 3.126 20 0 FGADHM CC(C)c1nc(S(=O)(=O)[N-][C@@H]2CC(C)(C)Oc3ccccc32)cn1C ZINC000416427214 500042922 /nfs/dbraw/zinc/04/29/22/500042922.db2.gz LPBIPISMVNIULN-CQSZACIVSA-N -1 3 363.483 3.124 20 0 FGADHM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)CCc2ccc(Cl)cc2)o1 ZINC000425212656 500044924 /nfs/dbraw/zinc/04/49/24/500044924.db2.gz YRXCCVQOKBFWAE-MRXNPFEDSA-N -1 3 371.886 3.345 20 0 FGADHM Cc1cc(C)c2ncc(C(=O)[O-])c(N3CCN(CCOC(C)C)CC3)c2c1 ZINC000573327347 506172593 /nfs/dbraw/zinc/17/25/93/506172593.db2.gz GGRQFYUOHASKKP-UHFFFAOYSA-N -1 3 371.481 3.097 20 0 FGADHM O=S(=O)([N-]CCC1CC(F)(F)C1)c1ccc(Br)cc1F ZINC000416503206 500052849 /nfs/dbraw/zinc/05/28/49/500052849.db2.gz 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FGADHM COc1cc(CN[C@H]2C=C[C@H](C(=O)[O-])C2)ccc1OCc1ccccc1 ZINC000417616292 500126296 /nfs/dbraw/zinc/12/62/96/500126296.db2.gz HDALBWNXVUHPMZ-ROUUACIJSA-N -1 3 353.418 3.393 20 0 FGADHM Cn1cc(C[C@@H](CNCc2ccc(-c3ccccc3Cl)o2)C(=O)[O-])cn1 ZINC000417625653 500128108 /nfs/dbraw/zinc/12/81/08/500128108.db2.gz MEDOVQAITPOOBQ-AWEZNQCLSA-N -1 3 373.840 3.367 20 0 FGADHM CC(C)(C)OC(=O)CC[C@@H](NCc1ccccc1C(F)(F)F)C(=O)[O-] ZINC000417625451 500128149 /nfs/dbraw/zinc/12/81/49/500128149.db2.gz PMAYKGQMJHGQBI-CYBMUJFWSA-N -1 3 361.360 3.370 20 0 FGADHM Cc1nn(Cc2ccc(Cl)cc2)c(C)c1CN[C@H]1C=C[C@@H](C(=O)[O-])C1 ZINC000417624155 500128171 /nfs/dbraw/zinc/12/81/71/500128171.db2.gz QCYHKGUVQBQQBT-WBVHZDCISA-N -1 3 359.857 3.321 20 0 FGADHM COC[C@@H](NCc1ccc(Br)cc1SC(C)C)C(=O)[O-] ZINC000417633814 500131342 /nfs/dbraw/zinc/13/13/42/500131342.db2.gz UPAMQQUAWVVBEW-GFCCVEGCSA-N -1 3 362.289 3.139 20 0 FGADHM COc1cccc(C[C@@H](CNCc2nc3c(s2)C[C@@H](C)CC3)C(=O)[O-])c1 ZINC000417657167 500139746 /nfs/dbraw/zinc/13/97/46/500139746.db2.gz XVLZNSKOYUQWFW-ZFWWWQNUSA-N -1 3 374.506 3.310 20 0 FGADHM O=S(=O)([N-]C[C@H]1CCSC1)c1cc(Cl)ccc1Br ZINC000429915152 500166712 /nfs/dbraw/zinc/16/67/12/500166712.db2.gz YGUFFTDZVNAENO-MRVPVSSYSA-N -1 3 370.721 3.134 20 0 FGADHM NC(=O)[C@H]1CC[C@H](CNC(=O)c2cc(Oc3ccccc3)ccc2[O-])CC1 ZINC000421912431 500174880 /nfs/dbraw/zinc/17/48/80/500174880.db2.gz FJCVHVCSDNOBKE-SHTZXODSSA-N -1 3 368.433 3.206 20 0 FGADHM Cc1nc(C)c(CC(=O)N2CCC[C@@]2(C)Cc2ccc(F)cc2)c(=O)[n-]1 ZINC000421917895 500175553 /nfs/dbraw/zinc/17/55/53/500175553.db2.gz KGHDKCRIBLLKRF-FQEVSTJZSA-N -1 3 357.429 3.104 20 0 FGADHM CC1(C)CCC[C@@H]1N(Cc1ccccc1)C(=O)C(=O)[N-]c1cnns1 ZINC000430035298 500183808 /nfs/dbraw/zinc/18/38/08/500183808.db2.gz VYBHDPPEHWFDBH-AWEZNQCLSA-N -1 3 358.467 3.084 20 0 FGADHM CCN(CCOc1ccccc1C)C(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000421976219 500188785 /nfs/dbraw/zinc/18/87/85/500188785.db2.gz VXNLTXJHBFTJKG-UHFFFAOYSA-N -1 3 359.422 3.259 20 0 FGADHM 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O=C(CCCCC(=O)c1ccc(F)cc1)Nc1nnc(-c2ccccn2)[n-]1 ZINC000426643232 500299478 /nfs/dbraw/zinc/29/94/78/500299478.db2.gz NOHSJMFYHQUOSJ-UHFFFAOYSA-N -1 3 367.384 3.388 20 0 FGADHM O=C(CCCCC(=O)c1ccc(F)cc1)Nc1nc(-c2ccccn2)n[n-]1 ZINC000426643232 500299480 /nfs/dbraw/zinc/29/94/80/500299480.db2.gz NOHSJMFYHQUOSJ-UHFFFAOYSA-N -1 3 367.384 3.388 20 0 FGADHM O=C(CCCCC(=O)c1ccc(F)cc1)Nc1n[n-]c(-c2ccccn2)n1 ZINC000426643232 500299481 /nfs/dbraw/zinc/29/94/81/500299481.db2.gz NOHSJMFYHQUOSJ-UHFFFAOYSA-N -1 3 367.384 3.388 20 0 FGADHM COc1cc(CNC[C@@H](Oc2ccc(F)cc2)C(=O)[O-])ccc1SC ZINC000426643266 500299789 /nfs/dbraw/zinc/29/97/89/500299789.db2.gz NYRNODQFBLLTJV-MRXNPFEDSA-N -1 3 365.426 3.178 20 0 FGADHM COc1cc2c(cc1CNCCC[C@H](Cc1ccccc1)C(=O)[O-])OCO2 ZINC000426642451 500299850 /nfs/dbraw/zinc/29/98/50/500299850.db2.gz INXUXWVZAHALLG-MRXNPFEDSA-N -1 3 371.433 3.237 20 0 FGADHM C[C@H](CCCCC(=O)[O-])NCc1cn(-c2ccc(F)cc2Cl)nn1 ZINC000426666286 500303851 /nfs/dbraw/zinc/30/38/51/500303851.db2.gz 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O=S(=O)([N-]C[C@@H]1CCC[C@@H](O)C1)c1c(Cl)ccc2ccccc21 ZINC000443239783 500700522 /nfs/dbraw/zinc/70/05/22/500700522.db2.gz ZOUZWSKIGQTVFE-TZMCWYRMSA-N -1 3 353.871 3.323 20 0 FGADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]C[C@H](CCO)CC(C)C ZINC000443310880 500707439 /nfs/dbraw/zinc/70/74/39/500707439.db2.gz KIXQXYSJXXTHFL-CYBMUJFWSA-N -1 3 357.447 3.203 20 0 FGADHM CC[C@@H](C[C@@H](C)CO)[N-]S(=O)(=O)c1oc2ccc(Cl)cc2c1C ZINC000443316493 500708901 /nfs/dbraw/zinc/70/89/01/500708901.db2.gz VXMIFMHUSPHNOW-MFKMUULPSA-N -1 3 359.875 3.470 20 0 FGADHM C[C@@]1(C[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)CCCC[C@H]1O ZINC000443348642 500713820 /nfs/dbraw/zinc/71/38/20/500713820.db2.gz VEHPMQWSLUBKIF-KGLIPLIRSA-N -1 3 369.380 3.064 20 0 FGADHM Cc1cc([N-]S(=O)(=O)c2cccc3c2OC(C)(C)C3)cc2[nH]ncc21 ZINC000443414023 500721662 /nfs/dbraw/zinc/72/16/62/500721662.db2.gz NMDHFSKAVNHZNV-UHFFFAOYSA-N -1 3 357.435 3.386 20 0 FGADHM C[C@@H](Cn1ccnc1)[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000433641611 500724755 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C[C@@H](NC(=O)NCc1nc(C(F)(F)F)n[n-]1)c1cc2ccccc2o1 ZINC000443568220 500739275 /nfs/dbraw/zinc/73/92/75/500739275.db2.gz VKTIJWOJQBUKIL-MRVPVSSYSA-N -1 3 353.304 3.130 20 0 FGADHM Cc1nc2ccnn2c(C)c1C(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000443565738 500739453 /nfs/dbraw/zinc/73/94/53/500739453.db2.gz IKYLSGZFYNLDKZ-UHFFFAOYSA-N -1 3 366.299 3.203 20 0 FGADHM O=C(Nc1ccc(OC(F)(F)F)cc1[O-])[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000443569708 500740104 /nfs/dbraw/zinc/74/01/04/500740104.db2.gz VEMOQEAOWPLGAQ-JTQLQIEISA-N -1 3 372.343 3.020 20 0 FGADHM COC(=O)c1[n-]c(=NCCc2nc3ccccc3n2C(F)F)sc1C ZINC000433771416 500741672 /nfs/dbraw/zinc/74/16/72/500741672.db2.gz PTSUYLCDLKIQSW-UHFFFAOYSA-N -1 3 366.393 3.059 20 0 FGADHM CCCc1ccc(-c2cc(=NC(=O)c3cnn(-c4cccnc4)c3)[nH][n-]2)cc1 ZINC000433991365 500777662 /nfs/dbraw/zinc/77/76/62/500777662.db2.gz VTLIMWZSXIZUBJ-UHFFFAOYSA-N -1 3 372.432 3.284 20 0 FGADHM CCN1CCN(c2ccc(NC(=O)Cc3ccc([O-])c(F)c3)c(C)c2)CC1 ZINC000448590530 500779430 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ZINC000436083573 501067850 /nfs/dbraw/zinc/06/78/50/501067850.db2.gz OOETUPGCACQOTO-UHFFFAOYSA-N -1 3 356.382 3.414 20 0 FGADHM COC(=O)c1cccc(F)c1[N-]C(=O)c1cnc([C@@H]2CCCO2)s1 ZINC000446107637 501075990 /nfs/dbraw/zinc/07/59/90/501075990.db2.gz IGSFFCNDFMLGNW-NSHDSACASA-N -1 3 350.371 3.173 20 0 FGADHM CCOc1nc2cc(C(=O)N3CCCN(c4ccccc4)CC3)ccc2[n-]1 ZINC000449813008 501094846 /nfs/dbraw/zinc/09/48/46/501094846.db2.gz FZRYOXFJDRFHNU-UHFFFAOYSA-N -1 3 364.449 3.314 20 0 FGADHM CCOc1nc2ccc(C(=O)N3CCCN(c4ccccc4)CC3)cc2[n-]1 ZINC000449813008 501094851 /nfs/dbraw/zinc/09/48/51/501094851.db2.gz FZRYOXFJDRFHNU-UHFFFAOYSA-N -1 3 364.449 3.314 20 0 FGADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)[C@@H]2CCCC[C@H]2OC)[nH][n-]1 ZINC000449838554 501102703 /nfs/dbraw/zinc/10/27/03/501102703.db2.gz GQGVSXLKBFIIGL-IUODEOHRSA-N -1 3 363.845 3.304 20 0 FGADHM NC(=O)C[C@H]1CCCCN1C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436529600 501148907 /nfs/dbraw/zinc/14/89/07/501148907.db2.gz AELJGKOUSGWSJE-CQSZACIVSA-N -1 3 354.406 3.055 20 0 FGADHM O=C1NCCN1c1cc(-c2nc(-c3ccc([O-])cc3)no2)ccc1Cl ZINC000436535894 501150070 /nfs/dbraw/zinc/15/00/70/501150070.db2.gz UKFSMDHBCGFPBW-UHFFFAOYSA-N -1 3 356.769 3.292 20 0 FGADHM Cc1ccc(C(=O)NCc2ccc(NC(=O)c3ccncc3)cc2)c([O-])c1 ZINC000436535170 501150204 /nfs/dbraw/zinc/15/02/04/501150204.db2.gz NAMGGJRPWRNYMR-UHFFFAOYSA-N -1 3 361.401 3.278 20 0 FGADHM NC(=O)CN(CCC1CCCCC1)C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436539983 501152001 /nfs/dbraw/zinc/15/20/01/501152001.db2.gz XFGSHYXHXHLNTE-UHFFFAOYSA-N -1 3 358.482 3.169 20 0 FGADHM O=C(c1cc2c(cc1[O-])CCCC2)N(Cc1ccncc1)C[C@H]1CCCO1 ZINC000436547736 501153300 /nfs/dbraw/zinc/15/33/00/501153300.db2.gz SIODJPJLHFJUOO-LJQANCHMSA-N -1 3 366.461 3.487 20 0 FGADHM CCCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)c2cc3c(cc2[O-])CCCC3)C1 ZINC000436547817 501153479 /nfs/dbraw/zinc/15/34/79/501153479.db2.gz BAKXFLUMSVYQOE-YJBOKZPZSA-N -1 3 372.509 3.428 20 0 FGADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCN(C2CCC2)CC1 ZINC000436545892 501153563 /nfs/dbraw/zinc/15/35/63/501153563.db2.gz NNNABVOZGZUBKO-UHFFFAOYSA-N -1 3 352.434 3.495 20 0 FGADHM Cc1ccc(C(=O)Nc2cccc(CN3CCN(C)CC3)c2)c([O-])c1C ZINC000436545857 501153928 /nfs/dbraw/zinc/15/39/28/501153928.db2.gz IBRFGYCFFILRCJ-UHFFFAOYSA-N -1 3 353.466 3.009 20 0 FGADHM CCN(C(=O)c1ccc(C)c(C)c1[O-])[C@@H]1CCN(c2ccccc2)C1=O ZINC000436557793 501155760 /nfs/dbraw/zinc/15/57/60/501155760.db2.gz VPSGBXPLYSPQAF-GOSISDBHSA-N -1 3 352.434 3.277 20 0 FGADHM CN(C(=O)c1cc(OCc2ccccc2)ccc1[O-])[C@H]1CN2CCC1CC2 ZINC000436554599 501155946 /nfs/dbraw/zinc/15/59/46/501155946.db2.gz GFJAESBHERUILP-FQEVSTJZSA-N -1 3 366.461 3.137 20 0 FGADHM Cc1ccc(C(=O)Nc2ccccc2N2CCC(CO)CC2)c([O-])c1C ZINC000436585329 501163045 /nfs/dbraw/zinc/16/30/45/501163045.db2.gz PNLSTGXHMSHUJQ-UHFFFAOYSA-N -1 3 354.450 3.470 20 0 FGADHM CC(C)c1ccc(C(=O)N2CCOC[C@@H]2CC(=O)c2ccco2)c([O-])c1 ZINC000436588283 501164261 /nfs/dbraw/zinc/16/42/61/501164261.db2.gz SJFQNWUPMJBDEN-HNNXBMFYSA-N -1 3 357.406 3.223 20 0 FGADHM CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)c2cccc(C)c2[O-])c1 ZINC000436594794 501165894 /nfs/dbraw/zinc/16/58/94/501165894.db2.gz GKLFJRGRFXYURP-ZDUSSCGKSA-N -1 3 362.451 3.030 20 0 FGADHM O=S(=O)(Cc1ccc(F)c(Cl)c1)[N-]c1cnccc1-n1cccn1 ZINC000446812562 501167645 /nfs/dbraw/zinc/16/76/45/501167645.db2.gz AWLACKUKXJAHHQ-UHFFFAOYSA-N -1 3 366.805 3.002 20 0 FGADHM NC(=O)c1ccccc1CCc1nc(-c2ccc([O-])c3ccccc23)no1 ZINC000436605258 501168421 /nfs/dbraw/zinc/16/84/21/501168421.db2.gz BODWVAQRBYIMEI-UHFFFAOYSA-N -1 3 359.385 3.480 20 0 FGADHM CNC(=O)C1CCC(NC(=O)c2cc(Cc3ccccc3)ccc2[O-])CC1 ZINC000436611647 501170177 /nfs/dbraw/zinc/17/01/77/501170177.db2.gz LJMQXUZKCNYSMW-UHFFFAOYSA-N -1 3 366.461 3.018 20 0 FGADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCN(CC2CC2)CC1 ZINC000436616471 501171229 /nfs/dbraw/zinc/17/12/29/501171229.db2.gz IGRUSJWRKLKHFP-UHFFFAOYSA-N -1 3 364.489 3.345 20 0 FGADHM CC(C)c1ccc(C(=O)NCc2ccccc2CN2CCOCC2)c([O-])c1 ZINC000436636604 501175717 /nfs/dbraw/zinc/17/57/17/501175717.db2.gz RPFAYGFLGJSVTR-UHFFFAOYSA-N -1 3 368.477 3.278 20 0 FGADHM COc1ccc(CNC(=O)c2c([O-])cccc2O)cc1OC1CCCC1 ZINC000436646222 501177979 /nfs/dbraw/zinc/17/79/79/501177979.db2.gz FQSDPDLWCJHXNS-UHFFFAOYSA-N -1 3 357.406 3.358 20 0 FGADHM CC(=O)N1c2ccccc2C[C@H]1C(=O)N=c1cc(-c2cc(C)cc(C)c2)[n-][nH]1 ZINC000588219317 506238860 /nfs/dbraw/zinc/23/88/60/506238860.db2.gz HSMBHBOPEXLTOO-FQEVSTJZSA-N -1 3 374.444 3.032 20 0 FGADHM CC[C@H](NC(=O)c1cc(C)ccc1[O-])[C@H](c1ccc(C)cc1)n1cncn1 ZINC000436650922 501178991 /nfs/dbraw/zinc/17/89/91/501178991.db2.gz SOXCGPBHWOCIKU-ICSRJNTNSA-N -1 3 364.449 3.399 20 0 FGADHM COc1ccc(C(=O)N2CCc3ccc(Br)cc3C2)c([O-])c1 ZINC000436654278 501179655 /nfs/dbraw/zinc/17/96/55/501179655.db2.gz IBSVKMNASUUYKB-UHFFFAOYSA-N -1 3 362.223 3.362 20 0 FGADHM CCC[C@H](NC(=O)c1cc(C)ccc1[O-])C(=O)N1CCc2sccc2C1 ZINC000436657106 501180618 /nfs/dbraw/zinc/18/06/18/501180618.db2.gz PMAZNABNYAPBHC-INIZCTEOSA-N -1 3 372.490 3.246 20 0 FGADHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1CCCC[C@H]1C(C)C ZINC000441891545 501181615 /nfs/dbraw/zinc/18/16/15/501181615.db2.gz BHPFFOPRKQNWAS-ZDUSSCGKSA-N -1 3 366.483 3.209 20 0 FGADHM Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)c2ccc(O)cc2[O-])C1 ZINC000436663283 501182029 /nfs/dbraw/zinc/18/20/29/501182029.db2.gz GMYRDXFPDNZACV-ZDUSSCGKSA-N -1 3 360.841 3.316 20 0 FGADHM CC1(C)Cc2ccc(C(=O)NCC3(c4ccccn4)CCC3)c([O-])c2O1 ZINC000436674719 501185102 /nfs/dbraw/zinc/18/51/02/501185102.db2.gz IVJQHJQPNKDSGH-UHFFFAOYSA-N -1 3 352.434 3.352 20 0 FGADHM COc1ccc(NC(=O)c2c([O-])cccc2O)cc1OCc1ccncc1 ZINC000436674587 501185321 /nfs/dbraw/zinc/18/53/21/501185321.db2.gz QPHOMBKIMODBSX-UHFFFAOYSA-N -1 3 366.373 3.333 20 0 FGADHM Cc1cc(CCNC(=O)c2cc(OCc3ccccc3)ccc2[O-])on1 ZINC000436676399 501186070 /nfs/dbraw/zinc/18/60/70/501186070.db2.gz OXSFONAQASNMGH-UHFFFAOYSA-N -1 3 352.390 3.240 20 0 FGADHM O=C(NCc1csc(CCc2ccccc2)n1)c1ccc(O)cc1[O-] ZINC000436683703 501187830 /nfs/dbraw/zinc/18/78/30/501187830.db2.gz ZYQFOWKBURQQCD-UHFFFAOYSA-N -1 3 354.431 3.270 20 0 FGADHM COc1cc(-c2nc(CCn3cnc4ccccc43)no2)cc(OC)c1[O-] ZINC000436686568 501188806 /nfs/dbraw/zinc/18/88/06/501188806.db2.gz FDMOAQSTFXSQTP-UHFFFAOYSA-N -1 3 366.377 3.052 20 0 FGADHM COCCOc1ccc(NC(=O)c2cccc(OC)c2[O-])cc1Cl ZINC000436694515 501189966 /nfs/dbraw/zinc/18/99/66/501189966.db2.gz ZMNZCBGZVYHFGX-UHFFFAOYSA-N -1 3 351.786 3.332 20 0 FGADHM CC1(C)Cc2ccc(C(=O)Nc3ccc(OCCCO)cc3)c([O-])c2O1 ZINC000436703009 501192487 /nfs/dbraw/zinc/19/24/87/501192487.db2.gz FQJHJJZZJPYASF-UHFFFAOYSA-N -1 3 357.406 3.119 20 0 FGADHM COC(=O)C[C@@](C)(NC(=O)c1ccc(C(C)C)cc1[O-])c1ccncc1 ZINC000436706575 501192888 /nfs/dbraw/zinc/19/28/88/501192888.db2.gz VCSAFSCHGHMJRF-HXUWFJFHSA-N -1 3 356.422 3.119 20 0 FGADHM Cc1c(NC(=O)c2ccc(C)c(C)c2[O-])nnn1Cc1ccccc1F ZINC000436714152 501194711 /nfs/dbraw/zinc/19/47/11/501194711.db2.gz SQABJJRWSWBKKQ-UHFFFAOYSA-N -1 3 354.385 3.349 20 0 FGADHM Cc1cc(C(=O)NCc2ccc([O-])c(Br)c2)nn1C(C)C ZINC000450153245 501195297 /nfs/dbraw/zinc/19/52/97/501195297.db2.gz UEJMIRRBPPBNIZ-UHFFFAOYSA-N -1 3 352.232 3.171 20 0 FGADHM C[C@@H]1CC[C@H]1NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436715255 501195337 /nfs/dbraw/zinc/19/53/37/501195337.db2.gz XAHOUBYRAURHCK-ZMYBRWDISA-N -1 3 352.434 3.168 20 0 FGADHM COC(=O)CCCN(Cc1ccccc1)C(=O)Cc1ccc([O-])c(F)c1 ZINC000450159038 501196758 /nfs/dbraw/zinc/19/67/58/501196758.db2.gz CEIFLXUOLKGXJO-UHFFFAOYSA-N -1 3 359.397 3.056 20 0 FGADHM Cc1ccc(C(=O)N2CCC3(C[C@@H]3C(=O)N3CCCCC3)CC2)c([O-])c1C ZINC000436725828 501198130 /nfs/dbraw/zinc/19/81/30/501198130.db2.gz VHYPPDSIZRTFCE-GOSISDBHSA-N -1 3 370.493 3.264 20 0 FGADHM C[C@@H]1CCC[C@@H](CCNC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)C1 ZINC000436739007 501201485 /nfs/dbraw/zinc/20/14/85/501201485.db2.gz NDDLFTSSQJDSGH-SJORKVTESA-N -1 3 373.497 3.076 20 0 FGADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N[C@H]1CC[C@@H](F)C1 ZINC000436746736 501203134 /nfs/dbraw/zinc/20/31/34/501203134.db2.gz ZOKJNNURHWJQFB-AOIWGVFYSA-N -1 3 370.424 3.260 20 0 FGADHM CC(=O)N[C@H](Cc1nc(-c2ccc([O-])cc2)no1)c1c(F)cccc1F ZINC000436768882 501208252 /nfs/dbraw/zinc/20/82/52/501208252.db2.gz LLWFKXAIDUKFMC-OAHLLOKOSA-N -1 3 359.332 3.140 20 0 FGADHM CN(C)[C@H](CNC(=O)c1ccc2c(c1[O-])OC(C)(C)C2)c1ccsc1 ZINC000436775980 501209336 /nfs/dbraw/zinc/20/93/36/501209336.db2.gz HFVZAKXJXLFVHM-OAHLLOKOSA-N -1 3 360.479 3.200 20 0 FGADHM O=S(=O)(Cc1nc(-c2ccc([O-])cc2)no1)c1ccc(Cl)cc1 ZINC000436778814 501209999 /nfs/dbraw/zinc/20/99/99/501209999.db2.gz TVPCIWVYYBBCRQ-UHFFFAOYSA-N -1 3 350.783 3.070 20 0 FGADHM COc1cc(/C=C\c2nc(-c3ccc([O-])cc3)no2)cc2c1OCCO2 ZINC000436780171 501210352 /nfs/dbraw/zinc/21/03/52/501210352.db2.gz ZSNXEPYIOSPWBE-UQCOIBPSSA-N -1 3 352.346 3.392 20 0 FGADHM COC(=O)c1cc(S(=O)(=O)N(C)c2ccccc2C(C)C)ccc1[O-] ZINC000436785878 501211662 /nfs/dbraw/zinc/21/16/62/501211662.db2.gz BGRVSCNOHMXEAV-UHFFFAOYSA-N -1 3 363.435 3.127 20 0 FGADHM NC(=O)CCCC(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000436795395 501212820 /nfs/dbraw/zinc/21/28/20/501212820.db2.gz YOCFNUKUPGJAAM-UHFFFAOYSA-N -1 3 355.419 3.263 20 0 FGADHM CCc1ccc(C(=O)N2CCC(C(=O)OC)(c3ccccc3)CC2)c([O-])c1 ZINC000436797855 501213283 /nfs/dbraw/zinc/21/32/83/501213283.db2.gz PSIJQOAWRNODMH-UHFFFAOYSA-N -1 3 367.445 3.302 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)NC[C@H]2CCCCC(F)(F)C2)c([O-])c1 ZINC000436805201 501214091 /nfs/dbraw/zinc/21/40/91/501214091.db2.gz XJABJUCIFPAFEB-AWEZNQCLSA-N -1 3 368.424 3.152 20 0 FGADHM CCc1ccc(C(=O)N(Cc2ccccc2)C[C@@]2(O)CCO[C@@H]2C)c([O-])c1 ZINC000436809023 501215041 /nfs/dbraw/zinc/21/50/41/501215041.db2.gz RAUUTIPBDVPQDF-ZHRRBRCNSA-N -1 3 369.461 3.137 20 0 FGADHM COc1cc(C(=O)Nc2cccc3c2OCC[C@H]3OC)cc(OC)c1[O-] ZINC000436809077 501215060 /nfs/dbraw/zinc/21/50/60/501215060.db2.gz RRNSZSXRDBMVGG-CQSZACIVSA-N -1 3 359.378 3.132 20 0 FGADHM CCc1ccc(C(=O)N[C@H](c2nccn2C)c2ccccc2F)c([O-])c1 ZINC000436812830 501215299 /nfs/dbraw/zinc/21/52/99/501215299.db2.gz NNTZPPNYJPAYDD-SFHVURJKSA-N -1 3 353.397 3.347 20 0 FGADHM Cc1nnc(N(C)C(=O)c2cc(OCc3ccccc3)ccc2[O-])s1 ZINC000436813164 501215318 /nfs/dbraw/zinc/21/53/18/501215318.db2.gz HFCWZDOBCRDGJO-UHFFFAOYSA-N -1 3 355.419 3.408 20 0 FGADHM COc1ccc(S(=O)(=O)C[C@H](C)c2nc(-c3ccc([O-])cc3)no2)cc1 ZINC000436815752 501215706 /nfs/dbraw/zinc/21/57/06/501215706.db2.gz XSYMWTKJJYKYBI-LBPRGKRZSA-N -1 3 374.418 3.028 20 0 FGADHM CCN(CC)[C@@H](CNC(=O)c1ccc(C(C)=O)c([O-])c1)c1ccccc1 ZINC000436854444 501221495 /nfs/dbraw/zinc/22/14/95/501221495.db2.gz UZELPUGMKCYAFO-IBGZPJMESA-N -1 3 354.450 3.408 20 0 FGADHM O=C(N[C@@H]1CSc2ccc(Br)cc21)c1c([O-])cccc1O ZINC000436852757 501221908 /nfs/dbraw/zinc/22/19/08/501221908.db2.gz AWSQGTMQQVQZOY-SNVBAGLBSA-N -1 3 366.236 3.437 20 0 FGADHM Cc1cccc(C(=O)N[C@@H]2CCCN(Cc3c(F)cccc3F)C2)c1[O-] ZINC000436863387 501223668 /nfs/dbraw/zinc/22/36/68/501223668.db2.gz KCWJFSKDBVMSNA-CQSZACIVSA-N -1 3 360.404 3.373 20 0 FGADHM CN(C)[C@@H](CNC(=O)c1cc(F)c([O-])c(Cl)c1)Cc1ccccc1 ZINC000436865679 501224061 /nfs/dbraw/zinc/22/40/61/501224061.db2.gz SREXFIYJMMSCBP-CQSZACIVSA-N -1 3 350.821 3.087 20 0 FGADHM CC(=O)c1ccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1[O-] ZINC000436865420 501224139 /nfs/dbraw/zinc/22/41/39/501224139.db2.gz TXNPSRXXPIROKR-UHFFFAOYSA-N -1 3 358.825 3.211 20 0 FGADHM COc1cc(-c2noc(-c3ccccc3N(C)C(=O)C3CC3)n2)ccc1[O-] ZINC000436879927 501226143 /nfs/dbraw/zinc/22/61/43/501226143.db2.gz YQFZKRCCDZCCKM-UHFFFAOYSA-N -1 3 365.389 3.491 20 0 FGADHM CCc1ccc(C(=O)N[C@H](Cc2nc(C)no2)c2ccccc2)c([O-])c1 ZINC000436882749 501226510 /nfs/dbraw/zinc/22/65/10/501226510.db2.gz VPGRFRXONWEAIY-QGZVFWFLSA-N -1 3 351.406 3.360 20 0 FGADHM CC(C)n1ncnc1CNC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436880419 501226565 /nfs/dbraw/zinc/22/65/65/501226565.db2.gz JKDFHFUMUHUDAW-UHFFFAOYSA-N -1 3 350.422 3.085 20 0 FGADHM COc1cc(-c2noc([C@H]3CC(=O)Nc4cc(F)ccc43)n2)ccc1[O-] ZINC000436896461 501229041 /nfs/dbraw/zinc/22/90/41/501229041.db2.gz MUIDFUSVZBJEDQ-LBPRGKRZSA-N -1 3 355.325 3.064 20 0 FGADHM CCC[C@@H](NC(=O)c1ccc([O-])c(C)c1)C(=O)N1CCc2sccc2C1 ZINC000436902148 501230314 /nfs/dbraw/zinc/23/03/14/501230314.db2.gz JBMJMSQHJRSJOV-MRXNPFEDSA-N -1 3 372.490 3.246 20 0 FGADHM CCc1ccc(C(=O)Nc2cccc(N3C(=O)N[C@H](CC)C3=O)c2)c([O-])c1 ZINC000436915480 501232097 /nfs/dbraw/zinc/23/20/97/501232097.db2.gz QQDMQLJMPHHVNR-MRXNPFEDSA-N -1 3 367.405 3.042 20 0 FGADHM CCc1ccc(NC(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000436920486 501233311 /nfs/dbraw/zinc/23/33/11/501233311.db2.gz RZQKIKDHPBCOIZ-UHFFFAOYSA-N -1 3 367.449 3.381 20 0 FGADHM O=c1[nH]c(Nc2ccc(F)c(Br)c2)nc2ccc([O-])cc12 ZINC000436925874 501233833 /nfs/dbraw/zinc/23/38/33/501233833.db2.gz JWYPAAMKQLXFPC-UHFFFAOYSA-N -1 3 350.147 3.108 20 0 FGADHM COc1ccccc1NC(=O)C1CCN(C(=O)c2ccc([O-])c(C)c2)CC1 ZINC000436923172 501233896 /nfs/dbraw/zinc/23/38/96/501233896.db2.gz RYGHRDLIWPCMDM-UHFFFAOYSA-N -1 3 368.433 3.200 20 0 FGADHM Cc1csc(S(=O)(=O)[N-]C[C@@H](c2ccccc2)N2CCCC2)c1 ZINC000450986660 501237055 /nfs/dbraw/zinc/23/70/55/501237055.db2.gz IBLRYSAGTGDELA-INIZCTEOSA-N -1 3 350.509 3.172 20 0 FGADHM COC(=O)c1ncccc1S(=O)(=O)[N-][C@@H](C)c1ccc(C(C)C)cc1 ZINC000450989366 501237356 /nfs/dbraw/zinc/23/73/56/501237356.db2.gz QWIKVRZZXKYFBC-ZDUSSCGKSA-N -1 3 362.451 3.031 20 0 FGADHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-][C@H](CC)c1cccs1 ZINC000451096235 501245378 /nfs/dbraw/zinc/24/53/78/501245378.db2.gz LWPVDURVNAITGH-MWLCHTKSSA-N -1 3 373.418 3.003 20 0 FGADHM Cc1csc(S(=O)(=O)[N-][C@@H](C)c2noc(Cc3ccccc3)n2)c1 ZINC000451293153 501258240 /nfs/dbraw/zinc/25/82/40/501258240.db2.gz VIALJULMWMIISY-LBPRGKRZSA-N -1 3 363.464 3.070 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)C[C@H]1CCCCC1(F)F)c1c(C)noc1C ZINC000451349452 501272225 /nfs/dbraw/zinc/27/22/25/501272225.db2.gz XMCKIXRNDVOEAP-OLZOCXBDSA-N -1 3 350.431 3.487 20 0 FGADHM CC(C)[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc3ccccc3c2F)CCO1 ZINC000451373741 501278386 /nfs/dbraw/zinc/27/83/86/501278386.db2.gz HTRAKDOWKUQIMF-GDBMZVCRSA-N -1 3 351.443 3.461 20 0 FGADHM O=S(=O)(C[C@H]1CCCC1(F)F)[N-][C@@H]1CCOc2c(F)ccc(F)c21 ZINC000451572265 501327787 /nfs/dbraw/zinc/32/77/87/501327787.db2.gz WWONEFWTXUIXCH-BXKDBHETSA-N -1 3 367.364 3.143 20 0 FGADHM Cc1csc(S(=O)(=O)[N-][C@H](c2ccccc2)C2(CO)CCC2)c1 ZINC000451577788 501329204 /nfs/dbraw/zinc/32/92/04/501329204.db2.gz BNKGSNFJIBESPV-MRXNPFEDSA-N -1 3 351.493 3.239 20 0 FGADHM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]CCC(C)(F)F ZINC000451609410 501335915 /nfs/dbraw/zinc/33/59/15/501335915.db2.gz DKZGDRHABXLANR-SNVBAGLBSA-N -1 3 371.833 3.077 20 0 FGADHM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]C[C@H]1CCCCC1(F)F ZINC000451637880 501341429 /nfs/dbraw/zinc/34/14/29/501341429.db2.gz CGKUSTNUQFAEAZ-CQSZACIVSA-N -1 3 363.474 3.260 20 0 FGADHM CCC[C@H](C[N-]S(=O)(=O)c1ccc(-c2csc(C)n2)s1)OC ZINC000451641685 501342193 /nfs/dbraw/zinc/34/21/93/501342193.db2.gz VBIWSKVEIXMHSM-LLVKDONJSA-N -1 3 360.526 3.273 20 0 FGADHM O=C(NCCOCC1CCCC1)NCc1ccc([O-])c(Br)c1 ZINC000455602908 501344328 /nfs/dbraw/zinc/34/43/28/501344328.db2.gz DAPCGHPAWJRZKX-UHFFFAOYSA-N -1 3 371.275 3.161 20 0 FGADHM O=C(Cc1ccc([O-])c(F)c1)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000451686885 501350292 /nfs/dbraw/zinc/35/02/92/501350292.db2.gz AJRJOEGLVQNOTB-ZIFCJYIRSA-N -1 3 355.409 3.105 20 0 FGADHM CC(=O)c1cccc(NC(=O)c2ccc(C(=O)OC(C)(C)C)cn2)c1[O-] ZINC000592799397 506247929 /nfs/dbraw/zinc/24/79/29/506247929.db2.gz GWAMBVYXVOZIGZ-UHFFFAOYSA-N -1 3 356.378 3.197 20 0 FGADHM O=C(NC1(CO)CCSCC1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000458069294 501366325 /nfs/dbraw/zinc/36/63/25/501366325.db2.gz GVYFKCUTKCWHNR-UHFFFAOYSA-N -1 3 359.447 3.172 20 0 FGADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)N1CCCc2ccccc2C1 ZINC000592802292 506248930 /nfs/dbraw/zinc/24/89/30/506248930.db2.gz UNWWBIPQKCBEQH-UHFFFAOYSA-N -1 3 362.433 3.140 20 0 FGADHM CCOC[C@@H]1CCCCN1C(=O)Cc1ccc(Br)cc1[O-] ZINC000458102366 501372757 /nfs/dbraw/zinc/37/27/57/501372757.db2.gz VXDDKAZWMLVWGH-AWEZNQCLSA-N -1 3 356.260 3.115 20 0 FGADHM CC[C@](C)(C[N-]S(=O)(=O)c1cc(Cl)c(OC)cc1Cl)OC ZINC000451796706 501373823 /nfs/dbraw/zinc/37/38/23/501373823.db2.gz MTATVKVCOFQVRW-CYBMUJFWSA-N -1 3 356.271 3.095 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@H]2C[C@@]2(C)C(C)C)c1 ZINC000458127789 501377147 /nfs/dbraw/zinc/37/71/47/501377147.db2.gz MOMZTWSBOTUGBZ-LPHOPBHVSA-N -1 3 357.410 3.105 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]Cc2nn(CCC(C)C)c3ccccc23)o1 ZINC000451811214 501377383 /nfs/dbraw/zinc/37/73/83/501377383.db2.gz BCLNJKCSDHHKOP-UHFFFAOYSA-N -1 3 361.467 3.462 20 0 FGADHM Cc1ccc(Br)c(S(=O)(=O)[N-]C[C@@H]2CCCC2(F)F)c1 ZINC000451824159 501380096 /nfs/dbraw/zinc/38/00/96/501380096.db2.gz ONSUBKYFVNJJRP-JTQLQIEISA-N -1 3 368.243 3.471 20 0 FGADHM CCO[C@@H](C)c1ncc(C(=O)[N-]c2cc3oc(=O)n(C)c3cc2F)s1 ZINC000458169367 501383734 /nfs/dbraw/zinc/38/37/34/501383734.db2.gz HAKMBXUJFRCAPT-QMMMGPOBSA-N -1 3 365.386 3.077 20 0 FGADHM CCn1ccnc1[C@H](C)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000451934612 501403630 /nfs/dbraw/zinc/40/36/30/501403630.db2.gz VZQUMGONSSYTBR-QMMMGPOBSA-N -1 3 366.245 3.388 20 0 FGADHM Cc1cc(NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)ccc1CN(C)C ZINC000458282397 501411366 /nfs/dbraw/zinc/41/13/66/501411366.db2.gz MAWSWUVALLWMAC-UHFFFAOYSA-N -1 3 356.470 3.410 20 0 FGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]CCC[C@H]3CCOC3)s2)cs1 ZINC000452011156 501418294 /nfs/dbraw/zinc/41/82/94/501418294.db2.gz CJXJPCMZYGEYLR-LBPRGKRZSA-N -1 3 372.537 3.275 20 0 FGADHM COc1cc2c(cc1Cl)CN(C(=O)NCc1ccc([O-])c(F)c1)CC2 ZINC000458435505 501444401 /nfs/dbraw/zinc/44/44/01/501444401.db2.gz YYMPMVPFWYWMCM-UHFFFAOYSA-N -1 3 364.804 3.461 20 0 FGADHM O=C(NC1(CF)CCOCC1)c1cc(OCc2ccccc2)ccc1[O-] ZINC000456060723 501446761 /nfs/dbraw/zinc/44/67/61/501446761.db2.gz MKOXJSKFJBWGHW-UHFFFAOYSA-N -1 3 359.397 3.220 20 0 FGADHM COC(=O)[C@@H]1CCCC[C@@H]1NC(=O)CCc1ccc2ccccc2c1[O-] ZINC000456140713 501463054 /nfs/dbraw/zinc/46/30/54/501463054.db2.gz AIRYCWJQGORBGU-MSOLQXFVSA-N -1 3 355.434 3.326 20 0 FGADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@@H]1CCO[C@H](c2ccncc2)C1 ZINC000456296450 501491084 /nfs/dbraw/zinc/49/10/84/501491084.db2.gz CVAKGCARWBZLPC-APWZRJJASA-N -1 3 358.413 3.286 20 0 FGADHM Cc1nc(C)c(CC(=O)N[C@@H](c2ccc(F)c(Cl)c2)C2CC2)c(=O)[n-]1 ZINC000452594519 501529489 /nfs/dbraw/zinc/52/94/89/501529489.db2.gz URAJZJZCFPDKMQ-QGZVFWFLSA-N -1 3 363.820 3.402 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1ccccc1C(C)(F)F ZINC000452676658 501543078 /nfs/dbraw/zinc/54/30/78/501543078.db2.gz TYLCFMYXKHHIMQ-SNVBAGLBSA-N -1 3 374.434 3.165 20 0 FGADHM Cc1c(Br)ccc([O-])c1NC(=O)c1cc2c(cn1)OCCC2 ZINC000452754387 501557212 /nfs/dbraw/zinc/55/72/12/501557212.db2.gz KSIPENPASRPJIG-UHFFFAOYSA-N -1 3 363.211 3.435 20 0 FGADHM CCCOc1c(OC)cc(CCNC(=O)c2ccccc2[O-])cc1OC ZINC000452800363 501564438 /nfs/dbraw/zinc/56/44/38/501564438.db2.gz ZUDWKLHWWVYUOQ-UHFFFAOYSA-N -1 3 359.422 3.171 20 0 FGADHM CO[C@@H]1CCN(C(=O)c2ccc(C(=O)c3cccc([O-])c3)cc2)C[C@@H]1C ZINC000452850004 501573795 /nfs/dbraw/zinc/57/37/95/501573795.db2.gz VBSXOZYOTLFXCV-IFXJQAMLSA-N -1 3 353.418 3.120 20 0 FGADHM O=C(N[C@H]([C@H](CO)C1CC1)C1CC1)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000452963238 501593954 /nfs/dbraw/zinc/59/39/54/501593954.db2.gz URBBGLLNROSWCT-DOMZBBRYSA-N -1 3 365.886 3.319 20 0 FGADHM COCCN(Cc1ccc(F)c(Cl)c1)C(=O)c1ccc(OC)cc1[O-] ZINC000456882184 501614324 /nfs/dbraw/zinc/61/43/24/501614324.db2.gz OHXMMZAHUVQPGI-UHFFFAOYSA-N -1 3 367.804 3.482 20 0 FGADHM Cc1csc(N2CCN(Cc3cccc([O-])c3Br)CC2)n1 ZINC000459296416 501626654 /nfs/dbraw/zinc/62/66/54/501626654.db2.gz IFWATRSPMZTKEE-UHFFFAOYSA-N -1 3 368.300 3.242 20 0 FGADHM CCOc1cc(CN2CCC[C@@H]2C(=O)N(CC)CC)cc(Cl)c1[O-] ZINC000459321071 501629955 /nfs/dbraw/zinc/62/99/55/501629955.db2.gz GOYIAULJWNDPTE-OAHLLOKOSA-N -1 3 354.878 3.277 20 0 FGADHM CCOc1cc(CN2CCNC(=O)[C@@H]2c2ccccc2)cc(Cl)c1[O-] ZINC000459333209 501632639 /nfs/dbraw/zinc/63/26/39/501632639.db2.gz ZXFZXGKOZLBWSX-KRWDZBQOSA-N -1 3 360.841 3.117 20 0 FGADHM CC[C@@H](c1ccccc1)N(CC(=O)OC)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000459373711 501641877 /nfs/dbraw/zinc/64/18/77/501641877.db2.gz WIHDYTUQNNSKSE-KRWDZBQOSA-N -1 3 355.438 3.186 20 0 FGADHM COCCOc1cccc(CNCc2cccc([O-])c2Br)c1 ZINC000459389129 501644942 /nfs/dbraw/zinc/64/49/42/501644942.db2.gz LVGKZWCJXMMWFO-UHFFFAOYSA-N -1 3 366.255 3.470 20 0 FGADHM CC[S@](=O)[C@H]1CCC[C@@H](NCc2cccc([O-])c2Br)C1 ZINC000459425071 501651942 /nfs/dbraw/zinc/65/19/42/501651942.db2.gz LMRCJJYXFZIMLS-UVARLRKDSA-N -1 3 360.317 3.324 20 0 FGADHM CC1(CC(F)(F)F)CN(C(=O)Cc2ccc(Br)cc2[O-])C1 ZINC000457112161 501652143 /nfs/dbraw/zinc/65/21/43/501652143.db2.gz GRQIWXUXSCYHRL-UHFFFAOYSA-N -1 3 366.177 3.498 20 0 FGADHM CCOc1cc(CNCc2ccccc2OCCO)cc(Cl)c1[O-] ZINC000459440464 501654353 /nfs/dbraw/zinc/65/43/53/501654353.db2.gz VBEDMYLCXYZQPY-UHFFFAOYSA-N -1 3 351.830 3.105 20 0 FGADHM CCOc1cc(CN[C@H](C)c2nc(C)no2)cc(Br)c1[O-] ZINC000459532641 501670845 /nfs/dbraw/zinc/67/08/45/501670845.db2.gz VDZAINPLWVDPPQ-MRVPVSSYSA-N -1 3 356.220 3.096 20 0 FGADHM CCNC(=O)Nc1c(C)cccc1NC(=O)c1cc(C)cc(OC)c1[O-] ZINC000457282027 501675994 /nfs/dbraw/zinc/67/59/94/501675994.db2.gz AUJNOJJGPASUCG-UHFFFAOYSA-N -1 3 357.410 3.411 20 0 FGADHM CC(C)(C)C1CN(C(=O)Cc2csc(NC(=O)c3cccc([O-])c3)n2)C1 ZINC000457337197 501684052 /nfs/dbraw/zinc/68/40/52/501684052.db2.gz DCJXCBVURMWNSJ-UHFFFAOYSA-N -1 3 373.478 3.148 20 0 FGADHM O=C([N-]c1ccccc1S(=O)(=O)N1CCCCC1)c1sccc1F ZINC000460015760 501724951 /nfs/dbraw/zinc/72/49/51/501724951.db2.gz QUZOYGFWLZPSQK-UHFFFAOYSA-N -1 3 368.455 3.314 20 0 FGADHM CCc1[n-][nH]c(=NC(=O)N[C@@H](c2cccc(F)c2F)C(F)(F)F)c1C ZINC000481291349 501734856 /nfs/dbraw/zinc/73/48/56/501734856.db2.gz XJPKFKVECNSSJM-LBPRGKRZSA-N -1 3 362.302 3.406 20 0 FGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000470599490 501738639 /nfs/dbraw/zinc/73/86/39/501738639.db2.gz JBQCIUPSKBKHDS-DFBGVHRSSA-N -1 3 369.870 3.486 20 0 FGADHM Cc1nc(CN(C)C(=O)Cc2ccc(Br)cc2[O-])cs1 ZINC000477619712 501740667 /nfs/dbraw/zinc/74/06/67/501740667.db2.gz SMRCEGPPTVRICR-UHFFFAOYSA-N -1 3 355.257 3.121 20 0 FGADHM O=C(CCC(=O)c1ccc(Cl)cn1)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000470611153 501743216 /nfs/dbraw/zinc/74/32/16/501743216.db2.gz MUOYHTUUFBCTPB-UHFFFAOYSA-N -1 3 354.797 3.149 20 0 FGADHM O=C(NCc1ccc([O-])c(Br)c1)c1cnc(-c2ccccc2)[nH]1 ZINC000481453457 501780243 /nfs/dbraw/zinc/78/02/43/501780243.db2.gz MDJBOGLVKZZLSR-UHFFFAOYSA-N -1 3 372.222 3.475 20 0 FGADHM Cc1cc(C(=O)N(C)C[C@@H](C)Oc2ccc(Cl)c(Cl)c2)[n-]c(=O)n1 ZINC000470722432 501782265 /nfs/dbraw/zinc/78/22/65/501782265.db2.gz IFVOAPIADWQYIL-SNVBAGLBSA-N -1 3 370.236 3.337 20 0 FGADHM Cc1ccc(Cl)c([N-]S(=O)(=O)c2cccc(C(=O)NC3CC3)c2)c1 ZINC000474317256 501787459 /nfs/dbraw/zinc/78/74/59/501787459.db2.gz WURKXJKJQULOHJ-UHFFFAOYSA-N -1 3 364.854 3.341 20 0 FGADHM CC[C@@]1(C)CCN(C(=O)Nc2ccc([N-]S(=O)(=O)CC)c(OC)c2)C1 ZINC000467422487 501790169 /nfs/dbraw/zinc/79/01/69/501790169.db2.gz CKNSMIXSIRNZQZ-KRWDZBQOSA-N -1 3 369.487 3.111 20 0 FGADHM COCc1nc(S[C@@H](C(=O)Nc2ccccc2)c2ccccc2)n[n-]1 ZINC000474393708 501819436 /nfs/dbraw/zinc/81/94/36/501819436.db2.gz ZDWDUMCQWUXNOM-MRXNPFEDSA-N -1 3 354.435 3.423 20 0 FGADHM COc1ccc(Oc2ccc(Cl)cc2[N-]S(=O)(=O)N(C)C)cc1 ZINC000460424945 501821258 /nfs/dbraw/zinc/82/12/58/501821258.db2.gz KUIDBAMTFHHIFA-UHFFFAOYSA-N -1 3 356.831 3.359 20 0 FGADHM CCOc1ncccc1C[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000485444315 501821998 /nfs/dbraw/zinc/82/19/98/501821998.db2.gz WYVRFDDQXLLPDZ-UHFFFAOYSA-N -1 3 361.250 3.266 20 0 FGADHM C[C@@H](CN(C)c1ncnc2scc(-c3ccccc3)c21)c1nnn[n-]1 ZINC000460451915 501827223 /nfs/dbraw/zinc/82/72/23/501827223.db2.gz QWIJMXXHCGXBLD-NSHDSACASA-N -1 3 351.439 3.111 20 0 FGADHM C[C@@H](CN(C)c1ncnc2scc(-c3ccccc3)c21)c1nn[n-]n1 ZINC000460451915 501827226 /nfs/dbraw/zinc/82/72/26/501827226.db2.gz QWIJMXXHCGXBLD-NSHDSACASA-N -1 3 351.439 3.111 20 0 FGADHM Cc1cc(C(=O)NCc2cc(Cl)ccc2N2CCOCC2)ccc1[O-] ZINC000467647939 501838967 /nfs/dbraw/zinc/83/89/67/501838967.db2.gz SNWHFWKZTXWVLF-UHFFFAOYSA-N -1 3 360.841 3.121 20 0 FGADHM Cc1c(C(=O)Nc2cccc(-c3nnn[n-]3)c2)sc2nccc(C)c12 ZINC000481640830 501839252 /nfs/dbraw/zinc/83/92/52/501839252.db2.gz OVPNFQMQUDGUBP-UHFFFAOYSA-N -1 3 350.407 3.346 20 0 FGADHM Cc1c(C(=O)Nc2cccc(-c3nn[n-]n3)c2)sc2nccc(C)c12 ZINC000481640830 501839255 /nfs/dbraw/zinc/83/92/55/501839255.db2.gz OVPNFQMQUDGUBP-UHFFFAOYSA-N -1 3 350.407 3.346 20 0 FGADHM O=C(N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1)c1cc2c([nH]c1=O)CCCC2 ZINC000467712423 501851023 /nfs/dbraw/zinc/85/10/23/501851023.db2.gz ZDONRMUPNCATIG-UHFFFAOYSA-N -1 3 370.359 3.009 20 0 FGADHM O=C(Cc1ccc([O-])cc1Cl)NCc1ccncc1OCC(F)(F)F ZINC000467767179 501865476 /nfs/dbraw/zinc/86/54/76/501865476.db2.gz IEKDNQBILPKVJC-UHFFFAOYSA-N -1 3 374.746 3.241 20 0 FGADHM O=S(=O)([N-]Cc1nccn1-c1ccccc1)c1cccc(Cl)c1F ZINC000460592506 501870878 /nfs/dbraw/zinc/87/08/78/501870878.db2.gz UAKRMKAEINHKRY-UHFFFAOYSA-N -1 3 365.817 3.143 20 0 FGADHM COc1ccc(OCCC(=O)N=c2cc(-c3cc(F)cc(F)c3)[n-][nH]2)cc1 ZINC000467809191 501880865 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CCCCNC(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000468818886 502194290 /nfs/dbraw/zinc/19/42/90/502194290.db2.gz DVDUFRIBEZSFBC-UHFFFAOYSA-N -1 3 357.635 3.474 20 0 FGADHM COC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OC)c1ccc(F)cc1 ZINC000486580303 502197600 /nfs/dbraw/zinc/19/76/00/502197600.db2.gz HMFHPSSZKDRBTQ-AWEZNQCLSA-N -1 3 373.833 3.154 20 0 FGADHM CC(C)[C@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1nnc2ccccn21 ZINC000468846060 502204292 /nfs/dbraw/zinc/20/42/92/502204292.db2.gz HIZYTXDFNPFPLO-IBGZPJMESA-N -1 3 370.428 3.410 20 0 FGADHM CC1(C)C(CNC(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)C1(C)C ZINC000475541342 502208971 /nfs/dbraw/zinc/20/89/71/502208971.db2.gz PAMPMMOGJPKRJC-UHFFFAOYSA-N -1 3 373.497 3.435 20 0 FGADHM CCOC(=O)c1ccc(NC(=O)c2cc3cc(OC)ccc3[nH]2)c([O-])c1 ZINC000468860864 502209651 /nfs/dbraw/zinc/20/96/51/502209651.db2.gz GRRLVDBPJHXSPK-UHFFFAOYSA-N -1 3 354.362 3.311 20 0 FGADHM CCc1cc(C(=O)N(CCOCCOC)Cc2ccccc2)ccc1[O-] ZINC000486633657 502215017 /nfs/dbraw/zinc/21/50/17/502215017.db2.gz 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C[C@@H](C[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)N1CCCC[C@H]1C ZINC000462098056 502306093 /nfs/dbraw/zinc/30/60/93/502306093.db2.gz SWGJUFGRMCCPNZ-MNOVXSKESA-N -1 3 370.462 3.308 20 0 FGADHM COc1cc([N-]S(=O)(=O)C[C@H](C)c2ccccc2)cc(-n2cccn2)c1 ZINC000475839479 502306099 /nfs/dbraw/zinc/30/60/99/502306099.db2.gz ZXNCWXCYNHSSHC-HNNXBMFYSA-N -1 3 371.462 3.426 20 0 FGADHM CCOc1ncccc1C[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000462111085 502310387 /nfs/dbraw/zinc/31/03/87/502310387.db2.gz KDGJBCUNQMTFHK-UHFFFAOYSA-N -1 3 366.386 3.039 20 0 FGADHM O=S(=O)([N-]C[C@H]1Cc2ccccc2O1)c1ccc(C(F)(F)F)s1 ZINC000462112462 502312150 /nfs/dbraw/zinc/31/21/50/502312150.db2.gz RLKFEOWNHIUGNS-SNVBAGLBSA-N -1 3 363.382 3.049 20 0 FGADHM CO[C@](C)(C[N-]S(=O)(=O)Cc1c(Cl)cccc1Cl)C1CC1 ZINC000462122564 502315513 /nfs/dbraw/zinc/31/55/13/502315513.db2.gz UADYFUWMCJTHBJ-CQSZACIVSA-N -1 3 352.283 3.228 20 0 FGADHM O=S(=O)([N-]CCNc1ccccn1)c1cc2cc(Cl)ccc2s1 ZINC000472324583 502315672 /nfs/dbraw/zinc/31/56/72/502315672.db2.gz 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20 0 FGADHM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)Cc2ccccc2Cl)o1 ZINC000462312515 502387880 /nfs/dbraw/zinc/38/78/80/502387880.db2.gz HKXBWNVJIWFLIE-OAHLLOKOSA-N -1 3 357.859 3.303 20 0 FGADHM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)c2ccc3c(c2)CCCC3)o1 ZINC000462321867 502392221 /nfs/dbraw/zinc/39/22/21/502392221.db2.gz OPEDISJDLDZPIN-GOSISDBHSA-N -1 3 363.479 3.387 20 0 FGADHM CCC(CC)N1C[C@@H](C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)CC1=O ZINC000476130778 502393943 /nfs/dbraw/zinc/39/39/43/502393943.db2.gz CGKFCJHKBBHMSE-JTQLQIEISA-N -1 3 358.360 3.387 20 0 FGADHM Cc1cc(C)c2[n-]cc(C(=O)N3CC[C@@H](C(C)(C)C)[C@@H](O)C3)c(=O)c2c1 ZINC000483486025 502407590 /nfs/dbraw/zinc/40/75/90/502407590.db2.gz AKQAHMPEIVWFKW-SJORKVTESA-N -1 3 356.466 3.014 20 0 FGADHM CN(C)Cc1ccc(S(=O)(=O)[N-]c2cc(-c3cccs3)[nH]n2)cc1 ZINC000476219181 502417095 /nfs/dbraw/zinc/41/70/95/502417095.db2.gz DCONVMRZAAJBQC-UHFFFAOYSA-N -1 3 362.480 3.001 20 0 FGADHM O=S(=O)([N-]CC1(CO)CCCC1)c1c(Cl)ccc2ccccc21 ZINC000472702816 502421948 /nfs/dbraw/zinc/42/19/48/502421948.db2.gz IYYMZMWUMMENEA-UHFFFAOYSA-N -1 3 353.871 3.324 20 0 FGADHM CC(C)[C@H]1CN(C(=O)c2ccc([N-]S(C)(=O)=O)cc2)c2ccccc2N1 ZINC000479955996 502429546 /nfs/dbraw/zinc/42/95/46/502429546.db2.gz LDXIJEIJGLPXSO-QGZVFWFLSA-N -1 3 373.478 3.155 20 0 FGADHM CC1(C)CN(C(=O)NCc2nnc(C(F)(F)F)[n-]2)C[C@H]1c1ccccc1 ZINC000483554277 502430244 /nfs/dbraw/zinc/43/02/44/502430244.db2.gz QNESWKBBAPAENO-LBPRGKRZSA-N -1 3 367.375 3.159 20 0 FGADHM CC1(C)CN(C(=O)NCc2n[n-]c(C(F)(F)F)n2)C[C@H]1c1ccccc1 ZINC000483554277 502430250 /nfs/dbraw/zinc/43/02/50/502430250.db2.gz QNESWKBBAPAENO-LBPRGKRZSA-N -1 3 367.375 3.159 20 0 FGADHM CC1(C)CN(C(=O)NCc2nc(C(F)(F)F)n[n-]2)C[C@H]1c1ccccc1 ZINC000483554277 502430256 /nfs/dbraw/zinc/43/02/56/502430256.db2.gz QNESWKBBAPAENO-LBPRGKRZSA-N -1 3 367.375 3.159 20 0 FGADHM CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000483562730 502433354 /nfs/dbraw/zinc/43/33/54/502433354.db2.gz SSHIRFAXGJNXMY-ZDUSSCGKSA-N -1 3 369.391 3.295 20 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/nfs/dbraw/zinc/48/31/15/502483115.db2.gz YMOKOVBGVJHACZ-UHFFFAOYSA-N -1 3 353.494 3.355 20 0 FGADHM Cc1cc(C)c(-c2cc(=NC(=O)[C@H](C)N(C)CC(F)(F)F)[nH][n-]2)cc1C ZINC000487597023 502487607 /nfs/dbraw/zinc/48/76/07/502487607.db2.gz UCIBUAWQDMFAML-ZDUSSCGKSA-N -1 3 368.403 3.245 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(C)[nH]c2=O)c(Cl)c1Cl ZINC000480225916 502506830 /nfs/dbraw/zinc/50/68/30/502506830.db2.gz NOJWOYQZKATATL-UHFFFAOYSA-N -1 3 363.222 3.212 20 0 FGADHM CCc1c([N-]S(=O)(=O)N(C)CC2CC2)cnn1-c1ccccc1Cl ZINC000480241259 502510416 /nfs/dbraw/zinc/51/04/16/502510416.db2.gz NXSKNFMWOIYWJS-UHFFFAOYSA-N -1 3 368.890 3.087 20 0 FGADHM Cc1ccccc1[C@@H](NC(=O)c1ccc([N-]S(C)(=O)=O)cc1)C1CC1 ZINC000487717762 502513105 /nfs/dbraw/zinc/51/31/05/502513105.db2.gz ULWPQQKKBHUDFC-SFHVURJKSA-N -1 3 358.463 3.248 20 0 FGADHM CC[C@@]1(C)C[C@H]1C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000466240017 502513590 /nfs/dbraw/zinc/51/35/90/502513590.db2.gz CEZVICDIDVWLQB-SJCJKPOMSA-N -1 3 356.463 3.277 20 0 FGADHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(F)cc2Cl)C12CCCC2 ZINC000462656352 502524803 /nfs/dbraw/zinc/52/48/03/502524803.db2.gz HUFDQVORNKECRL-LSDHHAIUSA-N -1 3 361.866 3.495 20 0 FGADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]Cc1cccc(C(C)C)c1 ZINC000476562036 502526391 /nfs/dbraw/zinc/52/63/91/502526391.db2.gz IBJYTTJCXAFHFH-UHFFFAOYSA-N -1 3 365.426 3.214 20 0 FGADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCN(c3cccc(C(F)(F)F)c3)CC2)n1 ZINC000469740920 502527396 /nfs/dbraw/zinc/52/73/96/502527396.db2.gz FUJRBFPMRJFNJY-CYBMUJFWSA-N -1 3 366.387 3.393 20 0 FGADHM CCC[C@H]([N-]S(=O)(=O)c1ccc(F)cc1Cl)C(=O)OC(C)(C)C ZINC000462681626 502532901 /nfs/dbraw/zinc/53/29/01/502532901.db2.gz NPDOAYRUCOAXAX-LBPRGKRZSA-N -1 3 365.854 3.268 20 0 FGADHM CC(C)c1nc([C@@H](C)NCc2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)cs1 ZINC000469779436 502542494 /nfs/dbraw/zinc/54/24/94/502542494.db2.gz JOBODCYIWCVKQP-BLVKFPJESA-N -1 3 372.494 3.172 20 0 FGADHM O=S(=O)([N-][C@@H]1CC[C@@H]2CCC[C@@H]2C1)c1cncc(Br)c1 ZINC000462715417 502546026 /nfs/dbraw/zinc/54/60/26/502546026.db2.gz MKKBBMAWRZIAKT-DMDPSCGWSA-N -1 3 359.289 3.091 20 0 FGADHM O=C(NC[C@@H]1SCCc2ccccc21)c1cc(=O)c2ccccc2[n-]1 ZINC000487851078 502547257 /nfs/dbraw/zinc/54/72/57/502547257.db2.gz VEOFBTKZLUFKNX-IBGZPJMESA-N -1 3 350.443 3.289 20 0 FGADHM COC(=O)[C@H]1CCCC[C@@]1(C)NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000469817484 502556289 /nfs/dbraw/zinc/55/62/89/502556289.db2.gz HKFNUSJYWGRZCS-AUUYWEPGSA-N -1 3 351.418 3.092 20 0 FGADHM COC(=O)c1csc(-c2cccc(CNCc3nc(C)ccc3[O-])c2)n1 ZINC000480474235 502578142 /nfs/dbraw/zinc/57/81/42/502578142.db2.gz UFUXCFQMRIGGFR-UHFFFAOYSA-N -1 3 369.446 3.296 20 0 FGADHM CCOc1nc2ccc(C(=O)Nc3ccccc3C[S@](C)=O)cc2[n-]1 ZINC000469883370 502583263 /nfs/dbraw/zinc/58/32/63/502583263.db2.gz XQEBCJVUNMXMDM-VWLOTQADSA-N -1 3 357.435 3.092 20 0 FGADHM CCOc1nc2cc(C(=O)Nc3ccccc3C[S@](C)=O)ccc2[n-]1 ZINC000469883370 502583267 /nfs/dbraw/zinc/58/32/67/502583267.db2.gz XQEBCJVUNMXMDM-VWLOTQADSA-N -1 3 357.435 3.092 20 0 FGADHM CC(C)CC[C@H]1CCCCN1C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000473418670 502590314 /nfs/dbraw/zinc/59/03/14/502590314.db2.gz PVFAOALPLFXJOQ-QGZVFWFLSA-N -1 3 352.500 3.489 20 0 FGADHM Cc1nc(-c2ccc(NCc3cccc(-n4ccnc4)c3)nc2)[n-]c(=O)c1C ZINC000462841102 502595727 /nfs/dbraw/zinc/59/57/27/502595727.db2.gz YPCKZAYTWMQIFD-UHFFFAOYSA-N -1 3 372.432 3.081 20 0 FGADHM COc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)CCO2 ZINC000466544676 502602831 /nfs/dbraw/zinc/60/28/31/502602831.db2.gz XWUSMWUYYQGPSP-AWEZNQCLSA-N -1 3 371.817 3.290 20 0 FGADHM O=C(c1c[n-]c2c(F)cc(F)cc2c1=O)N(Cc1cccnc1)C1CC1 ZINC000484253057 502607590 /nfs/dbraw/zinc/60/75/90/502607590.db2.gz JABWXUFELGPQRM-UHFFFAOYSA-N -1 3 355.344 3.006 20 0 FGADHM C[C@]1(C[N-]S(=O)(=O)c2cccc(Cl)c2Cl)CCO[C@H]1C1CC1 ZINC000466586238 502616665 /nfs/dbraw/zinc/61/66/65/502616665.db2.gz NCYFSUOPBUCOGW-LSDHHAIUSA-N -1 3 364.294 3.477 20 0 FGADHM CCC[C@H]1CCCN(C(=O)C(=O)[N-]c2scc(C)c2C(=O)OCC)C1 ZINC000466671095 502638072 /nfs/dbraw/zinc/63/80/72/502638072.db2.gz SXWHPHNSKBQTSM-ZDUSSCGKSA-N -1 3 366.483 3.210 20 0 FGADHM CC(C)OC(=O)CC[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000480749592 502661103 /nfs/dbraw/zinc/66/11/03/502661103.db2.gz PIJQYPVHICDNNB-JTQLQIEISA-N -1 3 368.282 3.392 20 0 FGADHM O=C(CN(Cc1ccccc1)Cc1ccccc1)NCc1ncccc1[O-] ZINC000473634600 502661413 /nfs/dbraw/zinc/66/14/13/502661413.db2.gz WHXOWAAAMIMVNQ-UHFFFAOYSA-N -1 3 361.445 3.106 20 0 FGADHM O=C(Cc1csc(Cc2cccc(Cl)c2)n1)NCc1ncccc1[O-] ZINC000473643859 502665602 /nfs/dbraw/zinc/66/56/02/502665602.db2.gz SOAALQXRUFTTMY-UHFFFAOYSA-N -1 3 373.865 3.347 20 0 FGADHM CC(C)c1c(C(=O)NCc2ncccc2[O-])cnn1-c1ccc(F)cc1 ZINC000473646287 502667111 /nfs/dbraw/zinc/66/71/11/502667111.db2.gz ZGWRXJXZLLTGQP-UHFFFAOYSA-N -1 3 354.385 3.165 20 0 FGADHM CCc1[n-][nH]c(=NC(=O)c2cccnc2OCc2ccccc2F)c1C ZINC000484549584 502667260 /nfs/dbraw/zinc/66/72/60/502667260.db2.gz XOTRCAAVVRDPTF-UHFFFAOYSA-N -1 3 354.385 3.068 20 0 FGADHM Cc1cnc([C@@H](C)Sc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)cn1 ZINC000488256049 502671069 /nfs/dbraw/zinc/67/10/69/502671069.db2.gz PFCHTOOVHNTLDW-GFCCVEGCSA-N -1 3 364.434 3.473 20 0 FGADHM CC(C)(C)OC(=O)[C@H]([N-]S(=O)(=O)CC1CCCC1)c1ccccc1 ZINC000480851324 502688679 /nfs/dbraw/zinc/68/86/79/502688679.db2.gz ZKUFKIAQHPCBKA-MRXNPFEDSA-N -1 3 353.484 3.179 20 0 FGADHM CCc1cc(C(=O)N2CCN(c3ccc(F)c(OC)c3)CC2)ccc1[O-] ZINC000488346258 502689281 /nfs/dbraw/zinc/68/92/81/502689281.db2.gz IWRUNQNEQQDRMF-UHFFFAOYSA-N -1 3 358.413 3.065 20 0 FGADHM Cc1nc(-c2ccc(C[N-]S(=O)(=O)c3ccc(F)cc3F)o2)cs1 ZINC000477149435 502691355 /nfs/dbraw/zinc/69/13/55/502691355.db2.gz KTDOTPNDEONDOE-UHFFFAOYSA-N -1 3 370.402 3.468 20 0 FGADHM CC[C@H](CNC(=O)c1cc(=O)c2ccccc2[n-]1)Oc1cccc(C)c1 ZINC000488412569 502707229 /nfs/dbraw/zinc/70/72/29/502707229.db2.gz OSHRRXOQIJLPRE-OAHLLOKOSA-N -1 3 350.418 3.424 20 0 FGADHM O=S(=O)([N-]Cc1c(F)cccc1OC(F)F)c1ccc(F)cc1F ZINC000480953170 502712876 /nfs/dbraw/zinc/71/28/76/502712876.db2.gz OSKATPKORHDPLC-UHFFFAOYSA-N -1 3 367.295 3.184 20 0 FGADHM O=S(=O)([N-]Cc1c(F)cccc1OC(F)F)c1ccc(F)c(F)c1 ZINC000480978409 502718467 /nfs/dbraw/zinc/71/84/67/502718467.db2.gz CIJLVEVOFDWLHM-UHFFFAOYSA-N -1 3 367.295 3.184 20 0 FGADHM CC(C)c1cc(C(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)nn1-c1ccccc1 ZINC000473848659 502722287 /nfs/dbraw/zinc/72/22/87/502722287.db2.gz HRFYQYQEOAUNFG-GOSISDBHSA-N -1 3 365.437 3.245 20 0 FGADHM Cc1cccc(C(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)c1Br ZINC000473848990 502723592 /nfs/dbraw/zinc/72/35/92/502723592.db2.gz JAPIEKVAYIUHSY-GFCCVEGCSA-N -1 3 350.216 3.006 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]CCc2nc(C(C)(C)C)cs2)c(F)c1 ZINC000481045099 502738834 /nfs/dbraw/zinc/73/88/34/502738834.db2.gz WGECNHNEXMEYHK-UHFFFAOYSA-N -1 3 372.487 3.109 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]C[C@H](c2ccsc2)N(C)C)sc1Cl ZINC000473917643 502748859 /nfs/dbraw/zinc/74/88/59/502748859.db2.gz HDSNJUQLJNFJQQ-LLVKDONJSA-N -1 3 364.945 3.353 20 0 FGADHM CCc1cc(C(=O)N[C@@H](Cn2ccccc2=O)c2ccccc2)ccc1[O-] ZINC000488559884 502750481 /nfs/dbraw/zinc/75/04/81/502750481.db2.gz JIVUYKGGKVTDRE-IBGZPJMESA-N -1 3 362.429 3.288 20 0 FGADHM Cc1cc([N-]S(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)ccn1 ZINC000488570417 502753241 /nfs/dbraw/zinc/75/32/41/502753241.db2.gz VDPBCRQCVHZNNZ-UHFFFAOYSA-N -1 3 350.749 3.285 20 0 FGADHM Cc1ccccc1[C@H]([C@@H](C)[N-]S(=O)(=O)c1cc(F)cc(F)c1)N(C)C ZINC000473938713 502755697 /nfs/dbraw/zinc/75/56/97/502755697.db2.gz FUDVUXAPCWMCAI-ACJLOTCBSA-N -1 3 368.449 3.243 20 0 FGADHM C[C@@H]1Cc2ccccc2N1CC[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000488691460 502782541 /nfs/dbraw/zinc/78/25/41/502782541.db2.gz AATFRABMRHFROB-GFCCVEGCSA-N -1 3 368.861 3.209 20 0 FGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](CO)CC2CCC2)c1Cl ZINC000481216072 502786771 /nfs/dbraw/zinc/78/67/71/502786771.db2.gz STAUQYVDNFIRAF-LLVKDONJSA-N -1 3 352.283 3.131 20 0 FGADHM CC(C)COC[C@@H]([N-]S(=O)(=O)c1ccc(N(C)C)cc1)c1ccco1 ZINC000477502349 502790636 /nfs/dbraw/zinc/79/06/36/502790636.db2.gz GWHSVVLEPWTUFP-QGZVFWFLSA-N -1 3 366.483 3.038 20 0 FGADHM COC(=O)[C@@H](CS(=O)(=O)[N-]c1ccccc1Cl)c1ccccc1 ZINC000477505660 502791939 /nfs/dbraw/zinc/79/19/39/502791939.db2.gz PPUXUQMWFAKZCF-ZDUSSCGKSA-N -1 3 353.827 3.039 20 0 FGADHM COC(=O)[C@@H](CS(=O)(=O)[N-]c1ccc(C)c(Cl)c1)c1ccccc1 ZINC000477505106 502792525 /nfs/dbraw/zinc/79/25/25/502792525.db2.gz QMISQFAVOJPCOU-HNNXBMFYSA-N -1 3 367.854 3.347 20 0 FGADHM COC(=O)[C@H](CS(=O)(=O)[N-]c1cccc(Cl)c1C)c1ccccc1 ZINC000477517626 502796606 /nfs/dbraw/zinc/79/66/06/502796606.db2.gz TTZSJVZHECBNCG-CQSZACIVSA-N -1 3 367.854 3.347 20 0 FGADHM C[C@H]1CC[C@@H](C[N-]S(=O)(=O)c2cc(F)ccc2Br)C1 ZINC000481259315 502799432 /nfs/dbraw/zinc/79/94/32/502799432.db2.gz PLMBDKVXSREHNX-VHSXEESVSA-N -1 3 350.253 3.303 20 0 FGADHM O=S(=O)([N-][C@@H](CO)CC1CCC1)c1ccc(Cl)cc1C(F)(F)F ZINC000481262781 502800456 /nfs/dbraw/zinc/80/04/56/502800456.db2.gz WOJPAEFXPOSNPR-LLVKDONJSA-N -1 3 371.808 3.188 20 0 FGADHM C[C@@H](C[C@@H]1CCCO1)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000488761005 502805180 /nfs/dbraw/zinc/80/51/80/502805180.db2.gz OKIIVEHIVMWGDE-ONGXEEELSA-N -1 3 355.353 3.080 20 0 FGADHM Cc1csc([C@@H]([N-]S(=O)(=O)c2ccc3ncccc3c2)C2CC2)n1 ZINC000474107931 502811123 /nfs/dbraw/zinc/81/11/23/502811123.db2.gz SQOXYUGMIRBBRJ-INIZCTEOSA-N -1 3 359.476 3.429 20 0 FGADHM CCn1cnc(S(=O)(=O)[N-][C@H](C)c2ccc(-c3ccncc3)cc2)c1 ZINC000474130391 502813799 /nfs/dbraw/zinc/81/37/99/502813799.db2.gz DQYQMCFSHUJGMD-CQSZACIVSA-N -1 3 356.451 3.005 20 0 FGADHM O=C(c1cccc([O-])c1)N1CCN(CCc2c(F)cccc2Cl)CC1 ZINC000485082327 502814037 /nfs/dbraw/zinc/81/40/37/502814037.db2.gz UBEIBDWALQOALB-UHFFFAOYSA-N -1 3 362.832 3.185 20 0 FGADHM CC[C@@H](C)c1cc(C(=O)[N-]c2nc(C(C)(C)C(=O)OC)cs2)on1 ZINC000485114670 502816393 /nfs/dbraw/zinc/81/63/93/502816393.db2.gz CCUZEOXTAHWJRX-SECBINFHSA-N -1 3 351.428 3.348 20 0 FGADHM C[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(Br)ccc2F)C1 ZINC000500599315 502823435 /nfs/dbraw/zinc/82/34/35/502823435.db2.gz HHIOSZGGHOXMQN-MWLCHTKSSA-N -1 3 350.253 3.445 20 0 FGADHM CC1(C)Cc2ccc(C(=O)N3CCO[C@@H](c4ccccc4)C3)c([O-])c2O1 ZINC000588782112 506336108 /nfs/dbraw/zinc/33/61/08/506336108.db2.gz RTFNXUJJVPSUJN-QGZVFWFLSA-N -1 3 353.418 3.319 20 0 FGADHM O=S(=O)([N-]Cc1cccs1)c1cc(Br)ccc1F ZINC000500603241 502824498 /nfs/dbraw/zinc/82/44/98/502824498.db2.gz OWXUTEYDMVKINM-UHFFFAOYSA-N -1 3 350.234 3.128 20 0 FGADHM CN(CCC[N-]S(=O)(=O)c1cc(F)ccc1Cl)c1ccccc1 ZINC000488852027 502824792 /nfs/dbraw/zinc/82/47/92/502824792.db2.gz BYIXFJCDQQKFIJ-UHFFFAOYSA-N -1 3 356.850 3.284 20 0 FGADHM Cc1ccc([C@H](C)[C@@H](O)C(=O)N=c2cc(-c3cc(F)cc(F)c3)[n-][nH]2)cc1 ZINC000495383837 502832717 /nfs/dbraw/zinc/83/27/17/502832717.db2.gz LZXHVTSPDZIZDQ-HXPMCKFVSA-N -1 3 371.387 3.188 20 0 FGADHM CCc1ccc2c(c1)[C@@H](CCNC(=O)Cc1ccc([O-])cc1Cl)C(=O)N2 ZINC000509149379 502833116 /nfs/dbraw/zinc/83/31/16/502833116.db2.gz DDGZSXRCQDJDOL-OAHLLOKOSA-N -1 3 372.852 3.393 20 0 FGADHM [O-]c1ccc(F)c(CNCCN2CCc3c(Cl)cccc3C2)c1F ZINC000513045726 502838005 /nfs/dbraw/zinc/83/80/05/502838005.db2.gz 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FGADHM COc1nc(NC(=O)Cc2cccc(OCc3ccc(Cl)cc3)c2)n[n-]1 ZINC000490745124 503221282 /nfs/dbraw/zinc/22/12/82/503221282.db2.gz LIGTZMMWFXKHHB-UHFFFAOYSA-N -1 3 372.812 3.227 20 0 FGADHM COc1nnc(NC(=O)Cc2cccc(OCc3ccc(Cl)cc3)c2)[n-]1 ZINC000490745124 503221285 /nfs/dbraw/zinc/22/12/85/503221285.db2.gz LIGTZMMWFXKHHB-UHFFFAOYSA-N -1 3 372.812 3.227 20 0 FGADHM COc1n[n-]c(NC(=O)Cc2cccc(OCc3ccc(Cl)cc3)c2)n1 ZINC000490745124 503221289 /nfs/dbraw/zinc/22/12/89/503221289.db2.gz LIGTZMMWFXKHHB-UHFFFAOYSA-N -1 3 372.812 3.227 20 0 FGADHM C[C@@H](F)CCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000507060500 503222823 /nfs/dbraw/zinc/22/28/23/503222823.db2.gz NAWYGEOYMZIBHO-GFCCVEGCSA-N -1 3 368.405 3.104 20 0 FGADHM CSc1nnc(CCCNCc2c(F)ccc([O-])c2F)n1CC(C)C ZINC000510999534 503233222 /nfs/dbraw/zinc/23/32/22/503233222.db2.gz QJGAHCHHWNWJMA-UHFFFAOYSA-N -1 3 370.469 3.362 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1ccccc1OC(F)F)c1c(F)cncc1F ZINC000511035330 503238821 /nfs/dbraw/zinc/23/88/21/503238821.db2.gz WRJONPGPQVKDGO-MRVPVSSYSA-N -1 3 364.320 3.001 20 0 FGADHM Cn1[n-]c(=NC(=O)[C@@H](Oc2ccccc2)c2ccccc2)cc1OC(F)F ZINC000490928398 503247271 /nfs/dbraw/zinc/24/72/71/503247271.db2.gz RSUBAKXAHXLUAQ-KRWDZBQOSA-N -1 3 373.359 3.202 20 0 FGADHM COc1cc(=NC(=O)N[C@@H]2CCC[C@H](c3cccc(Cl)c3)C2)[n-]n1C ZINC000515039797 503255891 /nfs/dbraw/zinc/25/58/91/503255891.db2.gz VXJDAMIONBZWDS-DZGCQCFKSA-N -1 3 362.861 3.352 20 0 FGADHM Cn1[n-]c(=NC(=O)CSc2ccc3ccccc3c2)cc1OC(F)F ZINC000491075097 503269945 /nfs/dbraw/zinc/26/99/45/503269945.db2.gz HWTYUJVUDYDQAE-UHFFFAOYSA-N -1 3 363.389 3.327 20 0 FGADHM COc1cc(C(=O)Nc2cc(-c3ccccc3C)nn2C)cc(OC)c1[O-] ZINC000491106668 503272858 /nfs/dbraw/zinc/27/28/58/503272858.db2.gz BBPVEVVRLNCANO-UHFFFAOYSA-N -1 3 367.405 3.371 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCN(Cc3ccccc3)CC2(C)C)o1 ZINC000511174010 503274069 /nfs/dbraw/zinc/27/40/69/503274069.db2.gz VQVYSGWPFZFLLO-KRWDZBQOSA-N -1 3 362.495 3.167 20 0 FGADHM O=C(N[C@H](c1cccc(F)c1F)C(F)(F)F)c1cc(F)cc2nn[n-]c21 ZINC000502806345 503276953 /nfs/dbraw/zinc/27/69/53/503276953.db2.gz CVDOSFYCWACQHY-CYBMUJFWSA-N -1 3 374.244 3.409 20 0 FGADHM O=C(N[C@H](c1cccc(F)c1F)C(F)(F)F)c1cc(F)cc2[n-]nnc21 ZINC000502806345 503276957 /nfs/dbraw/zinc/27/69/57/503276957.db2.gz CVDOSFYCWACQHY-CYBMUJFWSA-N -1 3 374.244 3.409 20 0 FGADHM O=C(N[C@H](c1cccc(F)c1F)C(F)(F)F)c1cc(F)cc2n[n-]nc21 ZINC000502806345 503276961 /nfs/dbraw/zinc/27/69/61/503276961.db2.gz CVDOSFYCWACQHY-CYBMUJFWSA-N -1 3 374.244 3.409 20 0 FGADHM CS(=O)(=O)[N-]c1cncc(C(=O)Nc2cccc(-c3cccs3)c2)c1 ZINC000502816322 503280060 /nfs/dbraw/zinc/28/00/60/503280060.db2.gz BZPNKJBMKLEPBV-UHFFFAOYSA-N -1 3 373.459 3.434 20 0 FGADHM CC(C)c1cnc(N2CCC([N-]S(=O)(=O)c3cccs3)CC2)s1 ZINC000498907804 503289239 /nfs/dbraw/zinc/28/92/39/503289239.db2.gz OWZZGDUXWWYIIM-UHFFFAOYSA-N -1 3 371.553 3.275 20 0 FGADHM Cn1ccnc1[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)C1CC1 ZINC000511297390 503295443 /nfs/dbraw/zinc/29/54/43/503295443.db2.gz UZZPYSHKNGXZDH-ZDUSSCGKSA-N -1 3 360.266 3.157 20 0 FGADHM Cc1scc(C(=O)N=c2cc3ccc(Br)cn3[n-]2)c1C ZINC000511333351 503301206 /nfs/dbraw/zinc/30/12/06/503301206.db2.gz LWYVAJASNMUMKX-UHFFFAOYSA-N -1 3 350.241 3.449 20 0 FGADHM Cc1ccc(NC(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)c(C)c1 ZINC000511334252 503302471 /nfs/dbraw/zinc/30/24/71/503302471.db2.gz PLFOSABRRVOWNM-UHFFFAOYSA-N -1 3 362.433 3.328 20 0 FGADHM O=C(N[C@H]1COc2c1ccc(Cl)c2Cl)c1cc(F)cc2nn[n-]c21 ZINC000502966691 503316131 /nfs/dbraw/zinc/31/61/31/503316131.db2.gz AHEXZRBJRVLOQJ-NSHDSACASA-N -1 3 367.167 3.267 20 0 FGADHM O=C(N[C@H]1COc2c1ccc(Cl)c2Cl)c1cc(F)cc2[n-]nnc21 ZINC000502966691 503316134 /nfs/dbraw/zinc/31/61/34/503316134.db2.gz AHEXZRBJRVLOQJ-NSHDSACASA-N -1 3 367.167 3.267 20 0 FGADHM O=C(N[C@H]1COc2c1ccc(Cl)c2Cl)c1cc(F)cc2n[n-]nc21 ZINC000502966691 503316137 /nfs/dbraw/zinc/31/61/37/503316137.db2.gz AHEXZRBJRVLOQJ-NSHDSACASA-N -1 3 367.167 3.267 20 0 FGADHM O=C(Cc1ccc2c[nH]nc2c1)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000507547716 503319520 /nfs/dbraw/zinc/31/95/20/503319520.db2.gz DHFGDSJCBIVUDP-UHFFFAOYSA-N -1 3 351.284 3.348 20 0 FGADHM Cc1cc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)cn2ccnc12 ZINC000502993726 503320375 /nfs/dbraw/zinc/32/03/75/503320375.db2.gz BJFPFPQEALGEOX-UHFFFAOYSA-N -1 3 350.353 3.184 20 0 FGADHM Cc1cc([N-]S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c(Cl)cc1F ZINC000507556176 503320843 /nfs/dbraw/zinc/32/08/43/503320843.db2.gz ZZCAYYMBJLLEPU-UHFFFAOYSA-N -1 3 356.762 3.435 20 0 FGADHM C[C@]1(C[N-]S(=O)(=O)c2cc(Cl)ccc2OCCC2CC2)CCOC1 ZINC000491608911 503324319 /nfs/dbraw/zinc/32/43/19/503324319.db2.gz CGNZDSNNMLDCAQ-QGZVFWFLSA-N -1 3 373.902 3.224 20 0 FGADHM O=C(Cc1ccc(Br)cc1[O-])N1CC[C@@H](CC(F)(F)F)C1 ZINC000507699485 503350031 /nfs/dbraw/zinc/35/00/31/503350031.db2.gz JAWBFRHSIVLNCF-VIFPVBQESA-N -1 3 366.177 3.498 20 0 FGADHM Brc1c(-c2nc(Cn3cccn3)no2)n[n-]c1-c1ccccc1 ZINC000507706271 503351907 /nfs/dbraw/zinc/35/19/07/503351907.db2.gz HBXFPKPRGIPVQI-UHFFFAOYSA-N -1 3 371.198 3.134 20 0 FGADHM Brc1c(-c2nc(Cn3cccn3)no2)[n-]nc1-c1ccccc1 ZINC000507706271 503351911 /nfs/dbraw/zinc/35/19/11/503351911.db2.gz HBXFPKPRGIPVQI-UHFFFAOYSA-N -1 3 371.198 3.134 20 0 FGADHM CC(C)c1cc(C(=O)N2CCc3c(nc[n-]c3=O)C2)c(O)c(C(C)C)c1 ZINC000515530151 503358812 /nfs/dbraw/zinc/35/88/12/503358812.db2.gz UKQWANBVLSLOIS-UHFFFAOYSA-N -1 3 355.438 3.333 20 0 FGADHM COc1ccc(CNC2(c3nn[n-]n3)CCCC2)cc1OCCC(C)C ZINC000499247123 503364693 /nfs/dbraw/zinc/36/46/93/503364693.db2.gz DTXKDWZAPYVNOL-UHFFFAOYSA-N -1 3 359.474 3.192 20 0 FGADHM O=S(=O)([N-][C@@H](Cc1ccc(Cl)cc1)c1ccccn1)c1ccccn1 ZINC000503213710 503368784 /nfs/dbraw/zinc/36/87/84/503368784.db2.gz XBXAKXSLIZGOAI-KRWDZBQOSA-N -1 3 373.865 3.392 20 0 FGADHM CC(C)(C)Oc1cccc(C[N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)n1 ZINC000503233757 503373380 /nfs/dbraw/zinc/37/33/80/503373380.db2.gz RONARPWZSHTXFU-UHFFFAOYSA-N -1 3 374.384 3.155 20 0 FGADHM CCOc1cc(CN2CCC([C@@H]3NC(=O)C3(C)C)CC2)cc(Cl)c1[O-] ZINC000515671553 503382979 /nfs/dbraw/zinc/38/29/79/503382979.db2.gz MYKNRPGNASOIGU-KRWDZBQOSA-N -1 3 366.889 3.181 20 0 FGADHM O=C(c1cc(F)cc2[n-]nnc21)N1CCc2cc(Br)ccc21 ZINC000503308547 503386847 /nfs/dbraw/zinc/38/68/47/503386847.db2.gz FOMHNJZUBXLWJT-UHFFFAOYSA-N -1 3 361.174 3.062 20 0 FGADHM O=C(c1cc(F)cc2nn[n-]c21)N1CCc2cc(Br)ccc21 ZINC000503308547 503386849 /nfs/dbraw/zinc/38/68/49/503386849.db2.gz FOMHNJZUBXLWJT-UHFFFAOYSA-N -1 3 361.174 3.062 20 0 FGADHM O=C(c1cc(F)cc2n[n-]nc21)N1CCc2cc(Br)ccc21 ZINC000503308547 503386853 /nfs/dbraw/zinc/38/68/53/503386853.db2.gz FOMHNJZUBXLWJT-UHFFFAOYSA-N -1 3 361.174 3.062 20 0 FGADHM Cc1ccc([O-])c(C(=O)N2CCc3c(ncn3-c3ccc(F)cc3)C2)c1 ZINC000511792787 503388435 /nfs/dbraw/zinc/38/84/35/503388435.db2.gz LBOSHGODDZSTQN-UHFFFAOYSA-N -1 3 351.381 3.224 20 0 FGADHM CS(=O)(=O)[N-]c1cc(C(=O)N[C@@H](c2cccs2)C2CC2)ccc1F ZINC000492839199 503388567 /nfs/dbraw/zinc/38/85/67/503388567.db2.gz YLQBUQMNPQJYKS-OAHLLOKOSA-N -1 3 368.455 3.140 20 0 FGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]CCN2CCC[C@@H](C)C2)c1Cl ZINC000515733916 503392521 /nfs/dbraw/zinc/39/25/21/503392521.db2.gz ADXBUALCXQTLRR-LLVKDONJSA-N -1 3 365.326 3.312 20 0 FGADHM CCOC(=O)Cc1cccc(S(=O)(=O)[N-]c2ccsc2Cl)c1 ZINC000507967959 503405990 /nfs/dbraw/zinc/40/59/90/503405990.db2.gz IQIKIADZDKOJHQ-UHFFFAOYSA-N -1 3 359.856 3.308 20 0 FGADHM COc1ccc(NC(C)=O)c([N-]C(=O)c2noc(-c3cccc(F)c3)n2)c1 ZINC000608002917 506369348 /nfs/dbraw/zinc/36/93/48/506369348.db2.gz HXZCACYUCDQABM-UHFFFAOYSA-N -1 3 370.340 3.095 20 0 FGADHM C[C@@H](Cc1nc2ccccc2s1)NC(=O)c1cc(F)cc2nn[n-]c21 ZINC000503443111 503410242 /nfs/dbraw/zinc/41/02/42/503410242.db2.gz WCTCHMXNJCYKPV-VIFPVBQESA-N -1 3 355.398 3.068 20 0 FGADHM C[C@@H](Cc1nc2ccccc2s1)NC(=O)c1cc(F)cc2[n-]nnc21 ZINC000503443111 503410246 /nfs/dbraw/zinc/41/02/46/503410246.db2.gz WCTCHMXNJCYKPV-VIFPVBQESA-N -1 3 355.398 3.068 20 0 FGADHM C[C@@H](Cc1nc2ccccc2s1)NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000503443111 503410247 /nfs/dbraw/zinc/41/02/47/503410247.db2.gz WCTCHMXNJCYKPV-VIFPVBQESA-N -1 3 355.398 3.068 20 0 FGADHM Cn1ncc2c1ncc(C(=O)Nc1ccc(Oc3ccccc3)nc1)c2[O-] ZINC000511903136 503411451 /nfs/dbraw/zinc/41/14/51/503411451.db2.gz ZCGXJDXWMKTWBM-UHFFFAOYSA-N -1 3 361.361 3.114 20 0 FGADHM O=C(Nc1cccc(OCc2cscn2)c1)c1cc(F)cc2[n-]nnc21 ZINC000503459154 503414415 /nfs/dbraw/zinc/41/44/15/503414415.db2.gz WYPMZTDFJPBNIK-UHFFFAOYSA-N -1 3 369.381 3.385 20 0 FGADHM O=C(Nc1cccc(OCc2cscn2)c1)c1cc(F)cc2nn[n-]c21 ZINC000503459154 503414417 /nfs/dbraw/zinc/41/44/17/503414417.db2.gz WYPMZTDFJPBNIK-UHFFFAOYSA-N -1 3 369.381 3.385 20 0 FGADHM O=C(Nc1cccc(OCc2cscn2)c1)c1cc(F)cc2n[n-]nc21 ZINC000503459154 503414419 /nfs/dbraw/zinc/41/44/19/503414419.db2.gz WYPMZTDFJPBNIK-UHFFFAOYSA-N -1 3 369.381 3.385 20 0 FGADHM Cc1ccc(F)c(S(=O)(=O)[N-][C@H](COCC(C)C)c2ccco2)c1 ZINC000508025316 503414892 /nfs/dbraw/zinc/41/48/92/503414892.db2.gz RJLUKDQCIUMFEX-OAHLLOKOSA-N -1 3 355.431 3.419 20 0 FGADHM CC[C@@H](Cc1ccc(Cl)cc1)[N-]S(=O)(=O)c1cn2c(n1)CCCC2 ZINC000503476986 503417088 /nfs/dbraw/zinc/41/70/88/503417088.db2.gz KFGWZGBWMXGPFP-HNNXBMFYSA-N -1 3 367.902 3.172 20 0 FGADHM CN(C)Cc1ccc(S(=O)(=O)[N-]c2ncc(-c3cccnc3)s2)cc1 ZINC000508067006 503421980 /nfs/dbraw/zinc/42/19/80/503421980.db2.gz GXMNXTQIHFMTJO-UHFFFAOYSA-N -1 3 374.491 3.068 20 0 FGADHM Cc1cc(C)c2ncc(C(=O)[O-])c(N[C@@H]3CCN(CC(F)(F)F)C3)c2c1 ZINC000516070960 503440450 /nfs/dbraw/zinc/44/04/50/503440450.db2.gz XNGJMTJSTREJIO-GFCCVEGCSA-N -1 3 367.371 3.020 20 0 FGADHM COC(=O)c1csc(S(=O)(=O)[N-][C@H](C)c2ccccc2SC)c1 ZINC000499682843 503456807 /nfs/dbraw/zinc/45/68/07/503456807.db2.gz ZXMSSGBXFNFILM-SNVBAGLBSA-N -1 3 371.505 3.296 20 0 FGADHM COc1cc(F)c(S(=O)(=O)[N-]CC[C@H]2CCCC[C@H]2C)cc1OC ZINC000512143367 503468917 /nfs/dbraw/zinc/46/89/17/503468917.db2.gz QLMIFRKHEDDREK-CHWSQXEVSA-N -1 3 359.463 3.338 20 0 FGADHM COc1cc(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)cc(Cl)c1[O-] ZINC000494046046 503479173 /nfs/dbraw/zinc/47/91/73/503479173.db2.gz DDNGPAJFOTWEJO-CXAGYDPISA-N -1 3 374.868 3.447 20 0 FGADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)N1CC[C@@H](C2CCCC2)C1 ZINC000516272181 503487205 /nfs/dbraw/zinc/48/72/05/503487205.db2.gz FAPXKAUIQYFJBT-CQSZACIVSA-N -1 3 354.454 3.204 20 0 FGADHM CCN(CCc1ccccc1C(=O)[O-])[C@H]1CCN(c2ccccc2)C1=O ZINC000516301522 503491674 /nfs/dbraw/zinc/49/16/74/503491674.db2.gz UCFDIZOGUTUPQO-IBGZPJMESA-N -1 3 352.434 3.055 20 0 FGADHM Cc1ccc(C[C@H]2CCCN(C(=O)c3cc(=O)[n-]c(C4CC4)n3)C2)cc1 ZINC000516310005 503492085 /nfs/dbraw/zinc/49/20/85/503492085.db2.gz BUJSWTYLYFMFCU-MRXNPFEDSA-N -1 3 351.450 3.463 20 0 FGADHM CN(Cc1cc(=O)c([O-])co1)Cc1cc(Br)ccc1Cl ZINC000494246076 503511535 /nfs/dbraw/zinc/51/15/35/503511535.db2.gz XXKXUSGEETZBSZ-UHFFFAOYSA-N -1 3 358.619 3.393 20 0 FGADHM CCC1(CC)CN(C(=O)Cc2csc(NC(=O)c3cccc([O-])c3)n2)C1 ZINC000504075183 503518296 /nfs/dbraw/zinc/51/82/96/503518296.db2.gz XYGHJWHJFKQOBW-UHFFFAOYSA-N -1 3 373.478 3.292 20 0 FGADHM CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)N=c2cc(-c3ccccc3C)[n-][nH]2)C1 ZINC000512321550 503518715 /nfs/dbraw/zinc/51/87/15/503518715.db2.gz JVDGSDKGDIBIHU-GOEBONIOSA-N -1 3 368.481 3.030 20 0 FGADHM COC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@H](C)CCCC(F)(F)F)c1 ZINC000494323284 503526147 /nfs/dbraw/zinc/52/61/47/503526147.db2.gz QVGJGEAKYMARMS-SECBINFHSA-N -1 3 371.352 3.012 20 0 FGADHM Cc1cc(C(=O)NC[C@H](CO)Cc2c(F)cccc2Cl)ccc1[O-] ZINC000500114512 503557146 /nfs/dbraw/zinc/55/71/46/503557146.db2.gz WTBIMKVQAVHKNG-GFCCVEGCSA-N -1 3 351.805 3.074 20 0 FGADHM COc1cc(NC(=O)Cc2ccc([O-])cc2Cl)cc(OC)c1OC ZINC000508803511 503567110 /nfs/dbraw/zinc/56/71/10/503567110.db2.gz OUXAJINQLQPWMI-UHFFFAOYSA-N -1 3 351.786 3.253 20 0 FGADHM O=c1[n-]c(C2CCN(CCOc3ccc(Cl)cc3Cl)CC2)n[nH]1 ZINC000516705808 503574082 /nfs/dbraw/zinc/57/40/82/503574082.db2.gz CRTIGLBETJEQBD-UHFFFAOYSA-N -1 3 357.241 3.076 20 0 FGADHM COC(=O)c1ccc(S(=O)(=O)[N-]CC[C@@H](C)c2ccccc2)s1 ZINC000504478529 503579132 /nfs/dbraw/zinc/57/91/32/503579132.db2.gz XDXQUAPKHLVXEP-GFCCVEGCSA-N -1 3 353.465 3.007 20 0 FGADHM Cc1cc(C)cc(-c2cc(=NC(=O)[C@@H](C)OC[C@@H]3CCCCO3)[nH][n-]2)c1 ZINC000512545011 503581244 /nfs/dbraw/zinc/58/12/44/503581244.db2.gz KTSWUQRXWMFRSS-WBVHZDCISA-N -1 3 357.454 3.028 20 0 FGADHM Cc1cc(C)cc(-c2cc(=NC(=O)[C@H](C)OC[C@@H]3CCCCO3)[nH][n-]2)c1 ZINC000512545010 503581307 /nfs/dbraw/zinc/58/13/07/503581307.db2.gz KTSWUQRXWMFRSS-RDJZCZTQSA-N -1 3 357.454 3.028 20 0 FGADHM CCN(C[C@H]1CCN(Cc2c(F)ccc([O-])c2F)C1)CC(F)(F)F ZINC000508876511 503585890 /nfs/dbraw/zinc/58/58/90/503585890.db2.gz UZVKNODBNNWGQU-LLVKDONJSA-N -1 3 352.347 3.377 20 0 FGADHM O=C(N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1)c1cccc([O-])c1 ZINC000508926675 503601200 /nfs/dbraw/zinc/60/12/00/503601200.db2.gz YSZBJMSWJJXMDM-NRFANRHFSA-N -1 3 374.440 3.050 20 0 FGADHM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)c2cc(C)cc3cccnc32)o1 ZINC000608028371 506381698 /nfs/dbraw/zinc/38/16/98/506381698.db2.gz GQJKSMBTIQLTBA-MRXNPFEDSA-N -1 3 374.462 3.365 20 0 FGADHM Cc1sc2[n-]c(CN3C[C@H](C)[C@H](O)C3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000509050279 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CCOc1nc2cc(C(=O)NCc3ccncc3C(F)(F)F)ccc2[n-]1 ZINC000567310949 505423747 /nfs/dbraw/zinc/42/37/47/505423747.db2.gz JHCVJQKZDASPFL-UHFFFAOYSA-N -1 3 364.327 3.305 20 0 FGADHM CCOc1nc2ccc(C(=O)NCc3ccncc3C(F)(F)F)cc2[n-]1 ZINC000567310949 505423753 /nfs/dbraw/zinc/42/37/53/505423753.db2.gz JHCVJQKZDASPFL-UHFFFAOYSA-N -1 3 364.327 3.305 20 0 FGADHM O=C([O-])[C@@H]1[C@H]2CCC[C@H]2CN1Cc1nc2cc(Br)ccc2[nH]1 ZINC000564460290 505425581 /nfs/dbraw/zinc/42/55/81/505425581.db2.gz CRQXQOXONSRYLU-ZSGNIPIJSA-N -1 3 364.243 3.011 20 0 FGADHM O=C([O-])[C@@H]1[C@H]2CCC[C@H]2CN1Cc1nc2ccc(Br)cc2[nH]1 ZINC000564460290 505425583 /nfs/dbraw/zinc/42/55/83/505425583.db2.gz CRQXQOXONSRYLU-ZSGNIPIJSA-N -1 3 364.243 3.011 20 0 FGADHM CCCc1nc2ccccc2n1CCC(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000558567941 505426033 /nfs/dbraw/zinc/42/60/33/505426033.db2.gz VRGDCFNMINCJRQ-KRWDZBQOSA-N -1 3 367.453 3.014 20 0 FGADHM O=S(=O)([N-][C@H]1CCN(C2CC2)C1)c1cc2cc(Cl)ccc2s1 ZINC000555410607 505426202 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CCc1c(C(=O)N=c2cc3ccccn3[n-]2)cnn1-c1cccc(Cl)c1 ZINC000567498012 505481604 /nfs/dbraw/zinc/48/16/04/505481604.db2.gz YCZHPTQIPDTRFE-UHFFFAOYSA-N -1 3 365.824 3.410 20 0 FGADHM COc1ncc(C(=O)Nc2cc(Br)ccc2[O-])cc1Cl ZINC000552411481 505485848 /nfs/dbraw/zinc/48/58/48/505485848.db2.gz CNDZEMOQEZEWEQ-UHFFFAOYSA-N -1 3 357.591 3.464 20 0 FGADHM O=C(NCc1cccc(OCc2ccccc2)c1)NCc1ncccc1[O-] ZINC000561990688 505486791 /nfs/dbraw/zinc/48/67/91/505486791.db2.gz JBRDBSCMRXPDAP-UHFFFAOYSA-N -1 3 363.417 3.366 20 0 FGADHM Cc1cnc([C@H]([N-]S(=O)(=O)c2cnc3ccccc3c2)C2CC2)s1 ZINC000564667768 505487702 /nfs/dbraw/zinc/48/77/02/505487702.db2.gz WYAMKHFPOXOCMR-MRXNPFEDSA-N -1 3 359.476 3.429 20 0 FGADHM CCCc1nc(=NC(=O)N[C@@H](C)[C@H](c2ccccc2C)N(C)C)s[n-]1 ZINC000562035751 505497706 /nfs/dbraw/zinc/49/77/06/505497706.db2.gz ONHWEPUYAMQPGB-XJKSGUPXSA-N -1 3 361.515 3.034 20 0 FGADHM CC1(C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(F)cc(F)c3F)cc21 ZINC000555712240 505497826 /nfs/dbraw/zinc/49/78/26/505497826.db2.gz 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CCOC(=O)c1cnc(C)c(NC(=O)c2cc(-c3ccc(C)o3)[n-]n2)c1 ZINC000552587672 505518861 /nfs/dbraw/zinc/51/88/61/505518861.db2.gz SOFTUGDUFXKYJJ-UHFFFAOYSA-N -1 3 354.366 3.111 20 0 FGADHM CCOC(=O)c1cnc(C)c(NC(=O)c2cc(-c3ccc(C)o3)n[n-]2)c1 ZINC000552587672 505518863 /nfs/dbraw/zinc/51/88/63/505518863.db2.gz SOFTUGDUFXKYJJ-UHFFFAOYSA-N -1 3 354.366 3.111 20 0 FGADHM C[N-]S(=O)(=O)c1cc(NC(=O)C/C=C/c2ccc(C)cc2)ccc1F ZINC000552727417 505543865 /nfs/dbraw/zinc/54/38/65/505543865.db2.gz ZPYJQXJEXIUGAL-ONEGZZNKSA-N -1 3 362.426 3.084 20 0 FGADHM CSc1cc2c(cc1[N-]S(=O)(=O)CCc1cccs1)OCCO2 ZINC000562226676 505544889 /nfs/dbraw/zinc/54/48/89/505544889.db2.gz DWHXEILXJIYRKV-UHFFFAOYSA-N -1 3 371.505 3.226 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]Cc2cn3cc(C)ccc3n2)sc1Cl ZINC000562225349 505544921 /nfs/dbraw/zinc/54/49/21/505544921.db2.gz COZJXWYZKYXKCT-UHFFFAOYSA-N -1 3 355.872 3.145 20 0 FGADHM CC(C)S(=O)(=O)c1ccc(C(=O)Nc2c([O-])cccc2Cl)cc1 ZINC000552783391 505553850 /nfs/dbraw/zinc/55/38/50/505553850.db2.gz 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AAQUNGSIUFBPHS-ZDUSSCGKSA-N -1 3 370.243 3.101 20 0 FGADHM COC(=O)[C@@H]1CCN(Cc2cc(=O)[n-]c(-c3ccccc3)n2)[C@H]2CCC[C@H]21 ZINC000599645810 506548774 /nfs/dbraw/zinc/54/87/74/506548774.db2.gz FXNGHJLSJNGPTM-KSZLIROESA-N -1 3 367.449 3.013 20 0 FGADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000612382578 506554105 /nfs/dbraw/zinc/55/41/05/506554105.db2.gz OBPDYITUBPTUAM-WDNDVIMCSA-N -1 3 362.857 3.269 20 0 FGADHM COC(=O)c1cccc([N-]S(=O)(=O)c2cc(C)c(OC)c(C)c2)c1C ZINC000603624480 506580245 /nfs/dbraw/zinc/58/02/45/506580245.db2.gz XLWCRHSGXJYJOS-UHFFFAOYSA-N -1 3 363.435 3.208 20 0 FGADHM Cn1[n-]c(-c2ccccc2Cl)nc1=NC(=O)c1cccc2[nH]ccc21 ZINC000583117465 506597738 /nfs/dbraw/zinc/59/77/38/506597738.db2.gz XMSWWQWOXAQNLE-UHFFFAOYSA-N -1 3 351.797 3.291 20 0 FGADHM CCc1ccc([C@H]2C[C@H](C)CCN2Cc2nc3c(cnn3C)c(=O)[n-]2)o1 ZINC000608578100 506612195 /nfs/dbraw/zinc/61/21/95/506612195.db2.gz NVCYSTBPDQQMTN-IUODEOHRSA-N -1 3 355.442 3.198 20 0 FGADHM 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373.678 3.022 20 0 FGADHM CCc1ccc(C=C([O-])Nc2nc(-c3cccc(OC)c3)ns2)cc1 ZINC000607492714 507750569 /nfs/dbraw/zinc/75/05/69/507750569.db2.gz NADFOUNHSKHWKZ-UHFFFAOYSA-N -1 3 353.447 3.379 20 0 FGADHM CS(=O)(=O)[N-]c1cc(NC(=O)c2ccc(C(F)F)cc2)ccc1F ZINC000588081726 507754832 /nfs/dbraw/zinc/75/48/32/507754832.db2.gz JOSYTDMZKCKTDP-UHFFFAOYSA-N -1 3 358.341 3.387 20 0 FGADHM COC(=O)c1cc(Cl)cc(NC(=O)c2cccc(NC(C)=O)c2)c1[O-] ZINC000588096429 507759662 /nfs/dbraw/zinc/75/96/62/507759662.db2.gz DKEZYLQWGIMOTG-UHFFFAOYSA-N -1 3 362.769 3.043 20 0 FGADHM COC(=O)c1cc(Cl)cc(NC(=O)c2cccc3[nH]c(C)nc32)c1[O-] ZINC000588096919 507759857 /nfs/dbraw/zinc/75/98/57/507759857.db2.gz QSWATBAKOGORIF-UHFFFAOYSA-N -1 3 359.769 3.269 20 0 FGADHM COC(=O)c1cc(Cl)cc(NC(=O)Cn2c(C)nc3ccccc32)c1[O-] ZINC000588096864 507759980 /nfs/dbraw/zinc/75/99/80/507759980.db2.gz OQEVSVHAAWMUFC-UHFFFAOYSA-N -1 3 373.796 3.129 20 0 FGADHM COC(=O)c1cc(Cl)cc([N-]C(=O)c2snnc2C(C)(C)C)c1O ZINC000588097259 507761734 /nfs/dbraw/zinc/76/17/34/507761734.db2.gz DHOSKZDGRCQBBN-UHFFFAOYSA-N -1 3 369.830 3.234 20 0 FGADHM CCCc1ccc(-c2cc(=NC(=O)CCC(=O)c3cnn(C)c3)[nH][n-]2)cc1 ZINC000479738045 514703338 /nfs/dbraw/zinc/70/33/38/514703338.db2.gz AVDXFCUHJACFSY-UHFFFAOYSA-N -1 3 365.437 3.364 20 0 FGADHM CCn1nc(C(=O)N=c2cc(-c3ccccc3)o[n-]2)c(=O)c2ccccc21 ZINC000479837224 514740587 /nfs/dbraw/zinc/74/05/87/514740587.db2.gz OQPAGLSRXNUFMH-UHFFFAOYSA-N -1 3 360.373 3.324 20 0 FGADHM CCc1[n-][nH]c(=NC(=O)[C@H](OC)[C@H](C)CC)c1-c1ccc2c(c1)OCO2 ZINC000480203493 514878821 /nfs/dbraw/zinc/87/88/21/514878821.db2.gz WUXGEHIKFMJCFA-PIGZYNQJSA-N -1 3 359.426 3.367 20 0 FGADHM Cc1cc(=NC(=O)NC[C@@H](C2CC2)N(C)Cc2ccccc2)[n-]nc1C ZINC000480567153 515001192 /nfs/dbraw/zinc/00/11/92/515001192.db2.gz KYXRMDWLJHZOIN-SFHVURJKSA-N -1 3 353.470 3.126 20 0 FGADHM Cc1ccccc1-c1cc(=NC(=O)[C@H]2CCN(CC(F)(F)F)C2)[nH][n-]1 ZINC000472482458 515286051 /nfs/dbraw/zinc/28/60/51/515286051.db2.gz FFTDUSTVCSKMPL-LBPRGKRZSA-N -1 3 352.360 3.208 20 0 FGADHM Cc1ccc(C(=O)N=c2cc(OC(F)F)n(C)[n-]2)c(Br)c1 ZINC000490976275 515347872 /nfs/dbraw/zinc/34/78/72/515347872.db2.gz RGTUFVPBRSFERE-UHFFFAOYSA-N -1 3 360.158 3.345 20 0 FGADHM Cn1[n-]c(=NC(=O)c2cccc(OCC(F)(F)F)c2)cc1OC(F)F ZINC000490974876 515349133 /nfs/dbraw/zinc/34/91/33/515349133.db2.gz PJMBKNXQUYCJSK-UHFFFAOYSA-N -1 3 365.258 3.215 20 0 FGADHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1cnn(-c2ccc(Cl)cc2)c1 ZINC000473854736 515777978 /nfs/dbraw/zinc/77/79/78/515777978.db2.gz ZKYSUTXUIMNIPD-HNNXBMFYSA-N -1 3 357.801 3.353 20 0 FGADHM CCOc1ccc(OCCCC(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)cc1 ZINC000473859020 515779723 /nfs/dbraw/zinc/77/97/23/515779723.db2.gz SZWDMNHXABQDKM-KRWDZBQOSA-N -1 3 359.426 3.458 20 0 FGADHM CCCc1n[n-]c(=NC(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)s1 ZINC000506313343 515845432 /nfs/dbraw/zinc/84/54/32/515845432.db2.gz VNJKNJBQNPKRIY-UKRRQHHQSA-N -1 3 359.499 3.448 20 0 FGADHM O=C(CN1CCc2ccccc21)N=c1cc2ccc(Br)cn2[n-]1 ZINC000511281554 515850256 /nfs/dbraw/zinc/85/02/56/515850256.db2.gz NQJQGXSTJIATBB-UHFFFAOYSA-N -1 3 371.238 3.098 20 0 FGADHM O=C(Cc1ccc2c[nH]nc2c1)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1 ZINC000500872832 515890648 /nfs/dbraw/zinc/89/06/48/515890648.db2.gz VYGXWYWDANVLFI-UHFFFAOYSA-N -1 3 353.332 3.412 20 0 FGADHM Cc1cc(C(=O)N=c2cc(-c3cccnc3)[n-][nH]2)nn1-c1cccc(F)c1 ZINC000483221938 515992198 /nfs/dbraw/zinc/99/21/98/515992198.db2.gz HQGUZAVRBOFXKK-UHFFFAOYSA-N -1 3 362.368 3.357 20 0 FGADHM CCc1[n-][nH]c(=NC(=O)[C@@H](C)CCCOC)c1-c1ccc2c(c1)OCO2 ZINC000483275736 516013732 /nfs/dbraw/zinc/01/37/32/516013732.db2.gz IJCDJZZQAUJYNK-LBPRGKRZSA-N -1 3 359.426 3.369 20 0 FGADHM CCCC[C@@H](C)C(=O)N=c1[nH][n-]cc1C(=O)NCc1ccc(OC)cc1 ZINC000507014302 516054566 /nfs/dbraw/zinc/05/45/66/516054566.db2.gz HUCUAIMAXMQXKX-CYBMUJFWSA-N -1 3 358.442 3.113 20 0 FGADHM CC[C@H](C)C(=O)N1CCC[C@H](C(=O)N=c2cc(-c3ccccc3)[n-][nH]2)C1 ZINC000512180018 516187156 /nfs/dbraw/zinc/18/71/56/516187156.db2.gz DVEPKLVSNIXYJP-HOCLYGCPSA-N -1 3 354.454 3.300 20 0 FGADHM CC(C)N(C)CC(=O)N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1 ZINC000512348694 516248452 /nfs/dbraw/zinc/24/84/52/516248452.db2.gz PXYWDLRZFYNXCA-UHFFFAOYSA-N -1 3 369.238 3.257 20 0 FGADHM CCC(CC)[C@@H](CNC(=O)N=c1[n-]nc(CC(F)(F)F)s1)N(C)C ZINC000483990584 516273405 /nfs/dbraw/zinc/27/34/05/516273405.db2.gz XVHYLMODEHIBFZ-SNVBAGLBSA-N -1 3 367.441 3.131 20 0 FGADHM C[C@H]1CCCN(c2cc(C(=O)N=c3cc([C@@H]4CCCO4)[n-][nH]3)ccn2)C1 ZINC000517793684 516454329 /nfs/dbraw/zinc/45/43/29/516454329.db2.gz OUDUXYQTMXFGTO-BBRMVZONSA-N -1 3 355.442 3.145 20 0 FGADHM CN(C)[C@H](CNC(=O)c1csc(=NC2CC2)[n-]1)c1ccc(Cl)cc1 ZINC000532029037 516764947 /nfs/dbraw/zinc/76/49/47/516764947.db2.gz GICCXSBOXBAIBO-OAHLLOKOSA-N -1 3 364.902 3.404 20 0 FGADHM CCc1[n-][nH]c(=NC(=O)[C@@H](C)OCC(C)C)c1-c1ccc2c(c1)OCO2 ZINC000525262914 516983911 /nfs/dbraw/zinc/98/39/11/516983911.db2.gz TWLHFBYIJSGVIF-GFCCVEGCSA-N -1 3 359.426 3.367 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@@H](C)OCC(C)C)c1-c1ccc2c(c1)OCCO2 ZINC000532525899 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359.817 3.287 20 0 FGADHM Cc1oc(C(C)C)cc1C(=O)N=c1[n-]n(C)cc1I ZINC000602391151 521316173 /nfs/dbraw/zinc/31/61/73/521316173.db2.gz SLWVDSPWLSTODF-UHFFFAOYSA-N -1 3 373.194 3.302 20 0 FGADHM CC(C)Cc1n[n-]c(=NC(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)s1 ZINC000608263874 521641106 /nfs/dbraw/zinc/64/11/06/521641106.db2.gz ROHPBJZJEREXGQ-MRXNPFEDSA-N -1 3 373.526 3.475 20 0 FGADHM COc1ccccc1-c1cc(=NC(=O)[C@H]2C[C@H](C)Cc3c[nH]nc32)[nH][n-]1 ZINC000623189204 521836145 /nfs/dbraw/zinc/83/61/45/521836145.db2.gz YHDWMZWWNNQHTE-RISCZKNCSA-N -1 3 351.410 3.113 20 0 FGADHM COc1cc(=NC(=O)N(C)[C@@H](CCc2ccccc2)C(F)F)[n-]n1C ZINC000626510090 522242500 /nfs/dbraw/zinc/24/25/00/522242500.db2.gz KWUNOMMXLJRLJO-ZDUSSCGKSA-N -1 3 352.385 3.159 20 0 FGADHM Cc1cc(C(=O)N=c2cc(-c3cccnc3)[n-][nH]2)c(C)n1[C@@H]1CCCOC1 ZINC000629952493 522541974 /nfs/dbraw/zinc/54/19/74/522541974.db2.gz CZRLKOSSGFCRCJ-MRXNPFEDSA-N -1 3 365.437 3.494 20 0 FGADHM Cc1cc(C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)c(C)n1[C@@H]1CCCOC1 ZINC000628032369 523282912 /nfs/dbraw/zinc/28/29/12/523282912.db2.gz YBVNKZGMVPQLJL-PBHICJAKSA-N -1 3 358.442 3.283 20 0 FGADHM Cc1cc(C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)c(C)n1C[C@@H]1CCCOC1 ZINC000628031896 523282996 /nfs/dbraw/zinc/28/29/96/523282996.db2.gz AXSPYGOVTGFJSV-YJBOKZPZSA-N -1 3 372.469 3.358 20 0 FGADHM CC(C)Oc1ccc(=NC(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)[n-]n1 ZINC000482371602 561253251 /nfs/dbraw/zinc/25/32/51/561253251.db2.gz ZGBVNIGBVVQZCN-KSSFIOAISA-N -1 3 357.458 3.077 20 0 FGADHM Cn1[n-]c(=NC(=O)c2ccc(N3CCCC3)c(F)c2)cc1OC(F)F ZINC000490930071 561440575 /nfs/dbraw/zinc/44/05/75/561440575.db2.gz ZTGZMRYLMWTTSM-UHFFFAOYSA-N -1 3 354.332 3.013 20 0 FGADHM CCc1ccc([C@@H]2CN(C(=O)c3csc(=NC4CC4)[n-]3)CCN2)cc1 ZINC000505530316 561673450 /nfs/dbraw/zinc/67/34/50/561673450.db2.gz PIPNYOGDAKTMLX-INIZCTEOSA-N -1 3 356.495 3.067 20 0 FGADHM COc1cccc(CCC(=O)N=c2cc(-c3ccncc3)[n-][nH]2)c1OC ZINC000523503579 562214362 /nfs/dbraw/zinc/21/43/62/562214362.db2.gz YVLNUHKEAFNOLA-UHFFFAOYSA-N -1 3 352.394 3.060 20 0 FGADHM CCCN(CC)C(=O)C(=O)[N-]c1scc(CC(C)C)c1C(=O)OCC ZINC000525793812 568217179 /nfs/dbraw/zinc/21/71/79/568217179.db2.gz YLOKYRWOEJHFKI-UHFFFAOYSA-N -1 3 368.499 3.320 20 0 FGADHM O=C(NCC1(c2cccc(Cl)c2)CC1)c1sccc1-c1nnn[n-]1 ZINC000738040267 598836892 /nfs/dbraw/zinc/83/68/92/598836892.db2.gz RRYAKDWLSCATBS-UHFFFAOYSA-N -1 3 359.842 3.043 20 0 FGADHM O=C(NCC1(c2cccc(Cl)c2)CC1)c1sccc1-c1nn[n-]n1 ZINC000738040267 598836893 /nfs/dbraw/zinc/83/68/93/598836893.db2.gz RRYAKDWLSCATBS-UHFFFAOYSA-N -1 3 359.842 3.043 20 0 FGADHM CCC/C(C)=C\C(=O)Nc1c(C)c(C)nn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000736421209 598839223 /nfs/dbraw/zinc/83/92/23/598839223.db2.gz ZSQDVZPNQZIXGK-QXMHVHEDSA-N -1 3 365.441 3.354 20 0 FGADHM O[C@@H](CNc1ccc(-c2nn[n-]n2)cc1C(F)(F)F)c1ccsc1 ZINC000738385868 598855217 /nfs/dbraw/zinc/85/52/17/598855217.db2.gz ZJSFEWYXQYVCIQ-LBPRGKRZSA-N -1 3 355.345 3.093 20 0 FGADHM O=C(Nc1ccc(Oc2ccccn2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000738174540 598866738 /nfs/dbraw/zinc/86/67/38/598866738.db2.gz JSILZZUNXSKXDZ-UHFFFAOYSA-N -1 3 358.361 3.306 20 0 FGADHM O=C(Nc1ccc(Oc2ccccn2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000738174540 598866740 /nfs/dbraw/zinc/86/67/40/598866740.db2.gz JSILZZUNXSKXDZ-UHFFFAOYSA-N -1 3 358.361 3.306 20 0 FGADHM O=C(Nc1ccc(Oc2ccccn2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738174553 598866793 /nfs/dbraw/zinc/86/67/93/598866793.db2.gz KCJVASLLUIQEMI-UHFFFAOYSA-N -1 3 358.361 3.306 20 0 FGADHM O=C(Nc1ccc(Oc2ccccn2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738174553 598866795 /nfs/dbraw/zinc/86/67/95/598866795.db2.gz KCJVASLLUIQEMI-UHFFFAOYSA-N -1 3 358.361 3.306 20 0 FGADHM Clc1cc(-c2nnn[n-]2)cnc1N[C@H](c1ccccc1)[C@@H]1CCCO1 ZINC000737558946 598870715 /nfs/dbraw/zinc/87/07/15/598870715.db2.gz SOBQIFKGFQNOSH-LSDHHAIUSA-N -1 3 356.817 3.247 20 0 FGADHM Clc1cc(-c2nn[n-]n2)cnc1N[C@H](c1ccccc1)[C@@H]1CCCO1 ZINC000737558946 598870716 /nfs/dbraw/zinc/87/07/16/598870716.db2.gz SOBQIFKGFQNOSH-LSDHHAIUSA-N -1 3 356.817 3.247 20 0 FGADHM CSc1ccccc1C(=O)O[C@@H](C)COc1cccc(-c2nnn[n-]2)c1 ZINC000737191111 598888313 /nfs/dbraw/zinc/88/83/13/598888313.db2.gz LVILPCHHBVBVGE-LBPRGKRZSA-N -1 3 370.434 3.213 20 0 FGADHM CSc1ccccc1C(=O)O[C@@H](C)COc1cccc(-c2nn[n-]n2)c1 ZINC000737191111 598888315 /nfs/dbraw/zinc/88/83/15/598888315.db2.gz LVILPCHHBVBVGE-LBPRGKRZSA-N -1 3 370.434 3.213 20 0 FGADHM C[C@H](NC(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1)C1CC1 ZINC000736119117 598888356 /nfs/dbraw/zinc/88/83/56/598888356.db2.gz QHDMFGWZXZWKRR-NSHDSACASA-N -1 3 368.466 3.193 20 0 FGADHM C[C@@H]1C[C@@H]1CNC(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000736241411 598888574 /nfs/dbraw/zinc/88/85/74/598888574.db2.gz XTOUIHBFLJRSPR-BXUZGUMPSA-N -1 3 368.466 3.050 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)NC1(c2cccc(F)c2)CC1 ZINC000738152131 598903871 /nfs/dbraw/zinc/90/38/71/598903871.db2.gz ONZDIKRUNBLURK-UHFFFAOYSA-N -1 3 372.791 3.470 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)NC1(c2cccc(F)c2)CC1 ZINC000738152131 598903872 /nfs/dbraw/zinc/90/38/72/598903872.db2.gz ONZDIKRUNBLURK-UHFFFAOYSA-N -1 3 372.791 3.470 20 0 FGADHM Cc1cc(OC(F)F)c(C(=O)N(C)c2cccc(-c3nnn[n-]3)c2)s1 ZINC000737281035 598904973 /nfs/dbraw/zinc/90/49/73/598904973.db2.gz YUPMUNHVCISVNP-UHFFFAOYSA-N -1 3 365.365 3.115 20 0 FGADHM Cc1cc(OC(F)F)c(C(=O)N(C)c2cccc(-c3nn[n-]n3)c2)s1 ZINC000737281035 598904974 /nfs/dbraw/zinc/90/49/74/598904974.db2.gz YUPMUNHVCISVNP-UHFFFAOYSA-N -1 3 365.365 3.115 20 0 FGADHM CC[C@H]1c2ccccc2CCN1C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000736404739 598907160 /nfs/dbraw/zinc/90/71/60/598907160.db2.gz AGCKMWFSQKCODY-JZHDPFOFSA-N -1 3 359.433 3.416 20 0 FGADHM CC[C@H]1c2ccccc2CCN1C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000736404739 598907161 /nfs/dbraw/zinc/90/71/61/598907161.db2.gz AGCKMWFSQKCODY-JZHDPFOFSA-N -1 3 359.433 3.416 20 0 FGADHM C[C@@H]1CCCC[C@@H]1CCNC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736259348 598921863 /nfs/dbraw/zinc/92/18/63/598921863.db2.gz DQBZUYFAGWUPBW-GDBMZVCRSA-N -1 3 356.474 3.225 20 0 FGADHM C[C@@H]1CCCC[C@@H]1CCNC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736259348 598921865 /nfs/dbraw/zinc/92/18/65/598921865.db2.gz DQBZUYFAGWUPBW-GDBMZVCRSA-N -1 3 356.474 3.225 20 0 FGADHM CC(C)[C@H]1CCCN(C(=O)CSc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000735748109 598928859 /nfs/dbraw/zinc/92/88/59/598928859.db2.gz HXPJPHUETMSKAR-AWEZNQCLSA-N -1 3 359.499 3.244 20 0 FGADHM CC(C)[C@H]1CCCN(C(=O)CSc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735748109 598928860 /nfs/dbraw/zinc/92/88/60/598928860.db2.gz HXPJPHUETMSKAR-AWEZNQCLSA-N -1 3 359.499 3.244 20 0 FGADHM Clc1cc(-c2nnn[n-]2)cnc1Sc1nccn1Cc1ccccc1 ZINC000737558109 598935007 /nfs/dbraw/zinc/93/50/07/598935007.db2.gz KRMSATJPQDBDJM-UHFFFAOYSA-N -1 3 369.841 3.311 20 0 FGADHM Clc1cc(-c2nn[n-]n2)cnc1Sc1nccn1Cc1ccccc1 ZINC000737558109 598935010 /nfs/dbraw/zinc/93/50/10/598935010.db2.gz KRMSATJPQDBDJM-UHFFFAOYSA-N -1 3 369.841 3.311 20 0 FGADHM C[C@H](c1ccc(F)c(F)c1)N(C)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000736197636 598936893 /nfs/dbraw/zinc/93/68/93/598936893.db2.gz BPVXMXBGQIGUPT-MRVPVSSYSA-N -1 3 350.760 3.391 20 0 FGADHM C[C@H](c1ccc(F)c(F)c1)N(C)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000736197636 598936894 /nfs/dbraw/zinc/93/68/94/598936894.db2.gz BPVXMXBGQIGUPT-MRVPVSSYSA-N -1 3 350.760 3.391 20 0 FGADHM CCN(Cc1c(F)cccc1F)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000736554716 598939743 /nfs/dbraw/zinc/93/97/43/598939743.db2.gz BLFBRZQJIOMWNM-UHFFFAOYSA-N -1 3 350.760 3.220 20 0 FGADHM CCN(Cc1c(F)cccc1F)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000736554716 598939745 /nfs/dbraw/zinc/93/97/45/598939745.db2.gz BLFBRZQJIOMWNM-UHFFFAOYSA-N -1 3 350.760 3.220 20 0 FGADHM CCC(C)(C)NC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736313742 598979887 /nfs/dbraw/zinc/97/98/87/598979887.db2.gz JBYXKFWCGOFJIW-UHFFFAOYSA-N -1 3 365.437 3.364 20 0 FGADHM CC(C)[C@H](C)NC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000735707015 598981281 /nfs/dbraw/zinc/98/12/81/598981281.db2.gz FRHUMZKXFGLGTJ-AWEZNQCLSA-N -1 3 365.437 3.220 20 0 FGADHM CC(C)[C@H](C)NC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000735707015 598981283 /nfs/dbraw/zinc/98/12/83/598981283.db2.gz FRHUMZKXFGLGTJ-AWEZNQCLSA-N -1 3 365.437 3.220 20 0 FGADHM CCCN(CC)C(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000736469243 598989491 /nfs/dbraw/zinc/98/94/91/598989491.db2.gz BSRGUTPLSIODDM-UHFFFAOYSA-N -1 3 365.437 3.318 20 0 FGADHM CCCN(CC)C(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000736469243 598989492 /nfs/dbraw/zinc/98/94/92/598989492.db2.gz BSRGUTPLSIODDM-UHFFFAOYSA-N -1 3 365.437 3.318 20 0 FGADHM C[Si](C)(C)COC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000737196357 599015584 /nfs/dbraw/zinc/01/55/84/599015584.db2.gz GJPSQXHFWCBELG-UHFFFAOYSA-N -1 3 369.457 3.088 20 0 FGADHM C[Si](C)(C)COC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000737196357 599015586 /nfs/dbraw/zinc/01/55/86/599015586.db2.gz GJPSQXHFWCBELG-UHFFFAOYSA-N -1 3 369.457 3.088 20 0 FGADHM CC(C)CC[C@@H](NC(=O)COc1cccc(-c2nnn[n-]2)c1)C(C)(C)C ZINC000735798355 599016787 /nfs/dbraw/zinc/01/67/87/599016787.db2.gz WADMOPDBZBGXEP-MRXNPFEDSA-N -1 3 359.474 3.213 20 0 FGADHM CC(C)CC[C@@H](NC(=O)COc1cccc(-c2nn[n-]n2)c1)C(C)(C)C ZINC000735798355 599016789 /nfs/dbraw/zinc/01/67/89/599016789.db2.gz WADMOPDBZBGXEP-MRXNPFEDSA-N -1 3 359.474 3.213 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)Nc1ccccc1OCC1CC1 ZINC000738166716 599022896 /nfs/dbraw/zinc/02/28/96/599022896.db2.gz MEXJQGIIJIDNNM-UHFFFAOYSA-N -1 3 368.372 3.439 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)Nc1ccccc1OCC1CC1 ZINC000738166716 599022898 /nfs/dbraw/zinc/02/28/98/599022898.db2.gz MEXJQGIIJIDNNM-UHFFFAOYSA-N -1 3 368.372 3.439 20 0 FGADHM C[C@@H](CCCOCc1ccccc1)OC(=O)c1sccc1-c1nnn[n-]1 ZINC000735985998 599027881 /nfs/dbraw/zinc/02/78/81/599027881.db2.gz OZMWSQMKSVWRQR-ZDUSSCGKSA-N -1 3 372.450 3.471 20 0 FGADHM CC(C)CC[C@H](NC(=O)CNc1ccc(-c2nn[n-]n2)cc1)C(C)(C)C ZINC000735798027 599036907 /nfs/dbraw/zinc/03/69/07/599036907.db2.gz UKEBACUERHWIIH-INIZCTEOSA-N -1 3 358.490 3.246 20 0 FGADHM C[C@@H]1CN(c2ccc(F)cc2-c2nnn[n-]2)C[C@@H](c2ccc(F)cc2)O1 ZINC000820774386 599039258 /nfs/dbraw/zinc/03/92/58/599039258.db2.gz BSBSXXVJYRYFFI-DIFFPNOSSA-N -1 3 357.364 3.111 20 0 FGADHM C[C@@H]1CN(c2ccc(F)cc2-c2nn[n-]n2)C[C@@H](c2ccc(F)cc2)O1 ZINC000820774386 599039260 /nfs/dbraw/zinc/03/92/60/599039260.db2.gz BSBSXXVJYRYFFI-DIFFPNOSSA-N -1 3 357.364 3.111 20 0 FGADHM O[C@H](CNc1cc(Cl)ccc1-c1nnn[n-]1)c1c(F)cccc1Cl ZINC000738381024 599044644 /nfs/dbraw/zinc/04/46/44/599044644.db2.gz FSCOKKVGYKTYOQ-CYBMUJFWSA-N -1 3 368.199 3.458 20 0 FGADHM O[C@H](CNc1cc(Cl)ccc1-c1nn[n-]n1)c1c(F)cccc1Cl ZINC000738381024 599044647 /nfs/dbraw/zinc/04/46/47/599044647.db2.gz FSCOKKVGYKTYOQ-CYBMUJFWSA-N -1 3 368.199 3.458 20 0 FGADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1CCCC2(CCOCC2)C1 ZINC000822331556 599045001 /nfs/dbraw/zinc/04/50/01/599045001.db2.gz HGZCFBSRRAJLGO-UHFFFAOYSA-N -1 3 364.453 3.120 20 0 FGADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N1CCCC2(CCOCC2)C1 ZINC000822331556 599045004 /nfs/dbraw/zinc/04/50/04/599045004.db2.gz HGZCFBSRRAJLGO-UHFFFAOYSA-N -1 3 364.453 3.120 20 0 FGADHM COc1cc(CNc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)ccc1C ZINC000737047176 599047141 /nfs/dbraw/zinc/04/71/41/599047141.db2.gz JAKKOVXEOZFZLF-UHFFFAOYSA-N -1 3 364.331 3.210 20 0 FGADHM COc1cc(CNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)ccc1C ZINC000737047176 599047143 /nfs/dbraw/zinc/04/71/43/599047143.db2.gz JAKKOVXEOZFZLF-UHFFFAOYSA-N -1 3 364.331 3.210 20 0 FGADHM CS[C@H]1CC[C@H](Nc2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)C1 ZINC000821950356 599075925 /nfs/dbraw/zinc/07/59/25/599075925.db2.gz MQHBUXUTYBAOGC-QWRGUYRKSA-N -1 3 360.874 3.186 20 0 FGADHM CS[C@H]1CC[C@H](Nc2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)C1 ZINC000821950356 599075927 /nfs/dbraw/zinc/07/59/27/599075927.db2.gz MQHBUXUTYBAOGC-QWRGUYRKSA-N -1 3 360.874 3.186 20 0 FGADHM Cc1ccc([C@@H]2CCCCN2C(=O)Cc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000737328780 599082219 /nfs/dbraw/zinc/08/22/19/599082219.db2.gz HNGHDJFBUYFOSP-INIZCTEOSA-N -1 3 351.410 3.064 20 0 FGADHM Cc1ccc([C@@H]2CCCCN2C(=O)Cc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000737328780 599082220 /nfs/dbraw/zinc/08/22/20/599082220.db2.gz HNGHDJFBUYFOSP-INIZCTEOSA-N -1 3 351.410 3.064 20 0 FGADHM Cc1ccc([C@@H]2CCCCN2C(=O)CCc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000737331126 599083623 /nfs/dbraw/zinc/08/36/23/599083623.db2.gz PQGWRJNYPOUAKO-KRWDZBQOSA-N -1 3 365.437 3.455 20 0 FGADHM Cc1ccc([C@@H]2CCCCN2C(=O)CCc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000737331126 599083627 /nfs/dbraw/zinc/08/36/27/599083627.db2.gz PQGWRJNYPOUAKO-KRWDZBQOSA-N -1 3 365.437 3.455 20 0 FGADHM NC(=O)[C@@H](Nc1ccc(-c2ccccc2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737738056 599085586 /nfs/dbraw/zinc/08/55/86/599085586.db2.gz UTBQIHBZGAHDGZ-IBGZPJMESA-N -1 3 370.416 3.172 20 0 FGADHM NC(=O)[C@@H](Nc1ccc(-c2ccccc2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737738056 599085589 /nfs/dbraw/zinc/08/55/89/599085589.db2.gz UTBQIHBZGAHDGZ-IBGZPJMESA-N -1 3 370.416 3.172 20 0 FGADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)N(Cc1ccoc1)C1CCCCC1 ZINC000737953763 599085673 /nfs/dbraw/zinc/08/56/73/599085673.db2.gz AIBCBCKKMNHLEL-UHFFFAOYSA-N -1 3 365.437 3.364 20 0 FGADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)N(Cc1ccoc1)C1CCCCC1 ZINC000737953763 599085674 /nfs/dbraw/zinc/08/56/74/599085674.db2.gz AIBCBCKKMNHLEL-UHFFFAOYSA-N -1 3 365.437 3.364 20 0 FGADHM Cc1cc(C)c(-c2nnn[n-]2)c(N2CC[C@@H](CSc3ccccc3)C2)n1 ZINC000822191137 599087910 /nfs/dbraw/zinc/08/79/10/599087910.db2.gz GEKCQQWJRPAYAO-OAHLLOKOSA-N -1 3 366.494 3.497 20 0 FGADHM Cc1cc(C)c(-c2nn[n-]n2)c(N2CC[C@@H](CSc3ccccc3)C2)n1 ZINC000822191137 599087911 /nfs/dbraw/zinc/08/79/11/599087911.db2.gz GEKCQQWJRPAYAO-OAHLLOKOSA-N -1 3 366.494 3.497 20 0 FGADHM C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)N1C(=O)c1sccc1-c1nnn[n-]1 ZINC000736236680 599090854 /nfs/dbraw/zinc/09/08/54/599090854.db2.gz SULHCEPNTJYNME-TYNCELHUSA-N -1 3 353.451 3.335 20 0 FGADHM C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)N1C(=O)c1sccc1-c1nn[n-]n1 ZINC000736236680 599090856 /nfs/dbraw/zinc/09/08/56/599090856.db2.gz SULHCEPNTJYNME-TYNCELHUSA-N -1 3 353.451 3.335 20 0 FGADHM CC[C@@H]1CN(c2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)CCS1 ZINC000820993907 599101973 /nfs/dbraw/zinc/10/19/73/599101973.db2.gz BVFPQFIXCIPVQI-SNVBAGLBSA-N -1 3 362.409 3.025 20 0 FGADHM CC[C@@H]1CN(c2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)CCS1 ZINC000820993907 599101975 /nfs/dbraw/zinc/10/19/75/599101975.db2.gz BVFPQFIXCIPVQI-SNVBAGLBSA-N -1 3 362.409 3.025 20 0 FGADHM C[C@@H]1CCC[C@H](CCNC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000736254369 599106176 /nfs/dbraw/zinc/10/61/76/599106176.db2.gz YWULZPLVUWYTHV-CHWSQXEVSA-N -1 3 360.437 3.021 20 0 FGADHM C[C@@H]1CCC[C@H](CCNC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000736254369 599106179 /nfs/dbraw/zinc/10/61/79/599106179.db2.gz YWULZPLVUWYTHV-CHWSQXEVSA-N -1 3 360.437 3.021 20 0 FGADHM O[C@H](C[C@@H]1CCCN1c1ncc(-c2nnn[n-]2)cc1Cl)c1ccccc1 ZINC000823674579 599106533 /nfs/dbraw/zinc/10/65/33/599106533.db2.gz ROKUPMDRWPTMBZ-GOEBONIOSA-N -1 3 370.844 3.008 20 0 FGADHM O[C@H](C[C@@H]1CCCN1c1ncc(-c2nn[n-]n2)cc1Cl)c1ccccc1 ZINC000823674579 599106535 /nfs/dbraw/zinc/10/65/35/599106535.db2.gz ROKUPMDRWPTMBZ-GOEBONIOSA-N -1 3 370.844 3.008 20 0 FGADHM C[C@@H](NC(=O)CSc1ccccc1-c1nnn[n-]1)c1ccccc1Cl ZINC000736113372 599109497 /nfs/dbraw/zinc/10/94/97/599109497.db2.gz ZJBSJVFASLTHOU-LLVKDONJSA-N -1 3 373.869 3.490 20 0 FGADHM C[C@@H](NC(=O)CSc1ccccc1-c1nn[n-]n1)c1ccccc1Cl ZINC000736113372 599109498 /nfs/dbraw/zinc/10/94/98/599109498.db2.gz ZJBSJVFASLTHOU-LLVKDONJSA-N -1 3 373.869 3.490 20 0 FGADHM Cc1ccc([C@H](C)NC(=O)CSc2ccccc2-c2nnn[n-]2)cc1C ZINC000737322316 599109952 /nfs/dbraw/zinc/10/99/52/599109952.db2.gz XWVREDVGYYIZSM-AWEZNQCLSA-N -1 3 367.478 3.453 20 0 FGADHM Cc1ccc([C@H](C)NC(=O)CSc2ccccc2-c2nn[n-]n2)cc1C ZINC000737322316 599109955 /nfs/dbraw/zinc/10/99/55/599109955.db2.gz XWVREDVGYYIZSM-AWEZNQCLSA-N -1 3 367.478 3.453 20 0 FGADHM O=C(CSc1ccccc1-c1nnn[n-]1)N1CCC[C@@H]2CCCC[C@H]21 ZINC000737946133 599111535 /nfs/dbraw/zinc/11/15/35/599111535.db2.gz BFOAYXOPETYNRN-DZGCQCFKSA-N -1 3 357.483 3.140 20 0 FGADHM O=C(CSc1ccccc1-c1nn[n-]n1)N1CCC[C@@H]2CCCC[C@H]21 ZINC000737946133 599111537 /nfs/dbraw/zinc/11/15/37/599111537.db2.gz BFOAYXOPETYNRN-DZGCQCFKSA-N -1 3 357.483 3.140 20 0 FGADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1CCO[C@H](c2ccccc2)C1 ZINC000737408674 599121742 /nfs/dbraw/zinc/12/17/42/599121742.db2.gz JPYYGGSPZQSXLT-SFHVURJKSA-N -1 3 372.432 3.301 20 0 FGADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N1CCO[C@H](c2ccccc2)C1 ZINC000737408674 599121743 /nfs/dbraw/zinc/12/17/43/599121743.db2.gz JPYYGGSPZQSXLT-SFHVURJKSA-N -1 3 372.432 3.301 20 0 FGADHM COc1ccc2c(c1)CN(c1c(-c3nnn[n-]3)cnc3c(C)cccc31)CC2 ZINC000737118472 599123713 /nfs/dbraw/zinc/12/37/13/599123713.db2.gz FFLKBWYLTVPYSQ-UHFFFAOYSA-N -1 3 372.432 3.295 20 0 FGADHM COc1ccc2c(c1)CN(c1c(-c3nn[n-]n3)cnc3c(C)cccc31)CC2 ZINC000737118472 599123715 /nfs/dbraw/zinc/12/37/15/599123715.db2.gz FFLKBWYLTVPYSQ-UHFFFAOYSA-N -1 3 372.432 3.295 20 0 FGADHM c1cc(-c2ccc(-c3nnn[n-]3)cc2)ccc1OCCOC[C@H]1CCCO1 ZINC000823737770 599124899 /nfs/dbraw/zinc/12/48/99/599124899.db2.gz KBISLYKMSPXYIV-LJQANCHMSA-N -1 3 366.421 3.108 20 0 FGADHM c1cc(-c2ccc(-c3nn[n-]n3)cc2)ccc1OCCOC[C@H]1CCCO1 ZINC000823737770 599124902 /nfs/dbraw/zinc/12/49/02/599124902.db2.gz KBISLYKMSPXYIV-LJQANCHMSA-N -1 3 366.421 3.108 20 0 FGADHM C[C@@H](NC(=O)[C@@H](C)CCc1ccccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000820253979 599136839 /nfs/dbraw/zinc/13/68/39/599136839.db2.gz LHDXMUFNZVFJML-UONOGXRCSA-N -1 3 367.428 3.452 20 0 FGADHM C[C@@H](NC(=O)[C@@H](C)CCc1ccccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000820253979 599136842 /nfs/dbraw/zinc/13/68/42/599136842.db2.gz LHDXMUFNZVFJML-UONOGXRCSA-N -1 3 367.428 3.452 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H]1SCCc2ccccc21 ZINC000822215983 599148327 /nfs/dbraw/zinc/14/83/27/599148327.db2.gz AZRFOUMXVFTOQV-INIZCTEOSA-N -1 3 351.435 3.144 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H]1SCCc2ccccc21 ZINC000822215983 599148328 /nfs/dbraw/zinc/14/83/28/599148328.db2.gz AZRFOUMXVFTOQV-INIZCTEOSA-N -1 3 351.435 3.144 20 0 FGADHM S=C(Nc1ccccc1-c1nnn[n-]1)N1CCCC[C@@H]1c1ccco1 ZINC000738409572 599159532 /nfs/dbraw/zinc/15/95/32/599159532.db2.gz SDFSJRRTOPZJEE-CQSZACIVSA-N -1 3 354.439 3.384 20 0 FGADHM S=C(Nc1ccccc1-c1nn[n-]n1)N1CCCC[C@@H]1c1ccco1 ZINC000738409572 599159535 /nfs/dbraw/zinc/15/95/35/599159535.db2.gz SDFSJRRTOPZJEE-CQSZACIVSA-N -1 3 354.439 3.384 20 0 FGADHM Fc1ccc(OCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)c(Cl)c1 ZINC000737655664 599160294 /nfs/dbraw/zinc/16/02/94/599160294.db2.gz BOHNFVJYLBEYNT-UHFFFAOYSA-N -1 3 372.747 3.288 20 0 FGADHM Fc1ccc(OCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)c(Cl)c1 ZINC000737655664 599160297 /nfs/dbraw/zinc/16/02/97/599160297.db2.gz BOHNFVJYLBEYNT-UHFFFAOYSA-N -1 3 372.747 3.288 20 0 FGADHM O=C(CCCCCc1cccs1)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822954920 599176984 /nfs/dbraw/zinc/17/69/84/599176984.db2.gz FMDKZVZLRRCVEV-UHFFFAOYSA-N -1 3 373.457 3.487 20 0 FGADHM O=C(CCCCCc1cccs1)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822954920 599176986 /nfs/dbraw/zinc/17/69/86/599176986.db2.gz FMDKZVZLRRCVEV-UHFFFAOYSA-N -1 3 373.457 3.487 20 0 FGADHM C[C@@H](C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1)c1cccc(F)c1 ZINC000735510350 599179607 /nfs/dbraw/zinc/17/96/07/599179607.db2.gz ATHBVJHUVAAYFM-CYBMUJFWSA-N -1 3 365.412 3.301 20 0 FGADHM C[C@@H](C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1)c1cccc(F)c1 ZINC000735510350 599179609 /nfs/dbraw/zinc/17/96/09/599179609.db2.gz ATHBVJHUVAAYFM-CYBMUJFWSA-N -1 3 365.412 3.301 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cc(Br)ccc1C ZINC000737294350 599187814 /nfs/dbraw/zinc/18/78/14/599187814.db2.gz MCMJSAFFPSBKTF-UHFFFAOYSA-N -1 3 372.226 3.498 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(Br)ccc1C ZINC000737294350 599187818 /nfs/dbraw/zinc/18/78/18/599187818.db2.gz MCMJSAFFPSBKTF-UHFFFAOYSA-N -1 3 372.226 3.498 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)[C@H]1CCSc2ccccc21 ZINC000738160818 599188646 /nfs/dbraw/zinc/18/86/46/599188646.db2.gz CGSISEKQDCNZOM-LBPRGKRZSA-N -1 3 355.398 3.224 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)[C@H]1CCSc2ccccc21 ZINC000738160818 599188650 /nfs/dbraw/zinc/18/86/50/599188650.db2.gz CGSISEKQDCNZOM-LBPRGKRZSA-N -1 3 355.398 3.224 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)[C@H]1C[C@H]1c1c(F)cccc1F ZINC000738229976 599186256 /nfs/dbraw/zinc/18/62/56/599186256.db2.gz CLWBZLMJCMGEDJ-OLZOCXBDSA-N -1 3 374.322 3.131 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)[C@H]1C[C@H]1c1c(F)cccc1F ZINC000738229976 599186257 /nfs/dbraw/zinc/18/62/57/599186257.db2.gz CLWBZLMJCMGEDJ-OLZOCXBDSA-N -1 3 374.322 3.131 20 0 FGADHM CC(C)(C)c1cnc(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000819966097 599194202 /nfs/dbraw/zinc/19/42/02/599194202.db2.gz WKSVFMMUGSVLGZ-UHFFFAOYSA-N -1 3 374.495 3.352 20 0 FGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)N1CCCC[C@@H]1c1ccco1 ZINC000738099554 599192058 /nfs/dbraw/zinc/19/20/58/599192058.db2.gz FWNOKGGMSMKVFU-OAHLLOKOSA-N -1 3 370.388 3.036 20 0 FGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)N1CCCC[C@@H]1c1ccco1 ZINC000738099554 599192061 /nfs/dbraw/zinc/19/20/61/599192061.db2.gz FWNOKGGMSMKVFU-OAHLLOKOSA-N -1 3 370.388 3.036 20 0 FGADHM CC(C)(C)c1cnc(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000819966097 599194204 /nfs/dbraw/zinc/19/42/04/599194204.db2.gz WKSVFMMUGSVLGZ-UHFFFAOYSA-N -1 3 374.495 3.352 20 0 FGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N1CCC(C2CCCC2)CC1 ZINC000823060401 599193236 /nfs/dbraw/zinc/19/32/36/599193236.db2.gz AJXNCGAOAOWBBX-UHFFFAOYSA-N -1 3 371.510 3.388 20 0 FGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N1CCC(C2CCCC2)CC1 ZINC000823060401 599193238 /nfs/dbraw/zinc/19/32/38/599193238.db2.gz AJXNCGAOAOWBBX-UHFFFAOYSA-N -1 3 371.510 3.388 20 0 FGADHM Cc1cc(F)cc2[nH]c(C(=O)N(C)c3cccc(-c4nnn[n-]4)c3)cc21 ZINC000737263761 599201140 /nfs/dbraw/zinc/20/11/40/599201140.db2.gz OZKWBIJOBVOWGL-UHFFFAOYSA-N -1 3 350.357 3.072 20 0 FGADHM Cc1cc(F)cc2[nH]c(C(=O)N(C)c3cccc(-c4nn[n-]n4)c3)cc21 ZINC000737263761 599201144 /nfs/dbraw/zinc/20/11/44/599201144.db2.gz OZKWBIJOBVOWGL-UHFFFAOYSA-N -1 3 350.357 3.072 20 0 FGADHM CC(C)[C@@H](Cc1ccc(F)cc1)N(C)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820020148 599210794 /nfs/dbraw/zinc/21/07/94/599210794.db2.gz CFSSEOWBFFXBCI-GOSISDBHSA-N -1 3 367.428 3.345 20 0 FGADHM CC(C)[C@@H](Cc1ccc(F)cc1)N(C)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820020148 599210797 /nfs/dbraw/zinc/21/07/97/599210797.db2.gz CFSSEOWBFFXBCI-GOSISDBHSA-N -1 3 367.428 3.345 20 0 FGADHM CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820020660 599215078 /nfs/dbraw/zinc/21/50/78/599215078.db2.gz JLNBAKLVCSYVKV-QGZVFWFLSA-N -1 3 353.401 3.003 20 0 FGADHM CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820020660 599215080 /nfs/dbraw/zinc/21/50/80/599215080.db2.gz JLNBAKLVCSYVKV-QGZVFWFLSA-N -1 3 353.401 3.003 20 0 FGADHM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)N1CCC2(C1)CCCCC2 ZINC000737932017 599223131 /nfs/dbraw/zinc/22/31/31/599223131.db2.gz IPLCMPQTPXOXLR-UHFFFAOYSA-N -1 3 371.510 3.283 20 0 FGADHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)N1CCC2(C1)CCCCC2 ZINC000737932017 599223134 /nfs/dbraw/zinc/22/31/34/599223134.db2.gz IPLCMPQTPXOXLR-UHFFFAOYSA-N -1 3 371.510 3.283 20 0 FGADHM Fc1ccc(CSCCc2ccc3c(c2)CCO3)c(-c2nnn[n-]2)c1 ZINC000822774895 599223787 /nfs/dbraw/zinc/22/37/87/599223787.db2.gz RQPROLMRVOJHLK-UHFFFAOYSA-N -1 3 356.426 3.417 20 0 FGADHM Fc1ccc(CSCCc2ccc3c(c2)CCO3)c(-c2nn[n-]n2)c1 ZINC000822774895 599223788 /nfs/dbraw/zinc/22/37/88/599223788.db2.gz RQPROLMRVOJHLK-UHFFFAOYSA-N -1 3 356.426 3.417 20 0 FGADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)N1CCC[C@H]2CCC[C@H]21 ZINC000737832789 599225272 /nfs/dbraw/zinc/22/52/72/599225272.db2.gz MDGWEXDDSSVMMK-CRAIPNDOSA-N -1 3 369.469 3.207 20 0 FGADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)N1CCC[C@H]2CCC[C@H]21 ZINC000737832789 599225274 /nfs/dbraw/zinc/22/52/74/599225274.db2.gz MDGWEXDDSSVMMK-CRAIPNDOSA-N -1 3 369.469 3.207 20 0 FGADHM CC(C)[C@H]1CCCCN1C(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000735747123 599225813 /nfs/dbraw/zinc/22/58/13/599225813.db2.gz BKUOBOTWVGJCIW-MRXNPFEDSA-N -1 3 359.499 3.137 20 0 FGADHM CC(C)[C@H]1CCCCN1C(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000735747123 599225817 /nfs/dbraw/zinc/22/58/17/599225817.db2.gz BKUOBOTWVGJCIW-MRXNPFEDSA-N -1 3 359.499 3.137 20 0 FGADHM CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)c1sccc1-c1nnn[n-]1 ZINC000736352359 599233255 /nfs/dbraw/zinc/23/32/55/599233255.db2.gz KXIQQYLAELKDNV-AWEZNQCLSA-N -1 3 355.467 3.330 20 0 FGADHM CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)c1sccc1-c1nn[n-]n1 ZINC000736352359 599233258 /nfs/dbraw/zinc/23/32/58/599233258.db2.gz KXIQQYLAELKDNV-AWEZNQCLSA-N -1 3 355.467 3.330 20 0 FGADHM CC(C)(C)OC(=O)Nc1ccc(CNCc2ccc(C(=O)[O-])cc2)cn1 ZINC000756282964 596969578 /nfs/dbraw/zinc/96/95/78/596969578.db2.gz VARXZEHNLULXSJ-UHFFFAOYSA-N -1 3 357.410 3.417 20 0 FGADHM CC(C)c1cnc(NC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000735933510 599228439 /nfs/dbraw/zinc/22/84/39/599228439.db2.gz XUYRWJVGXOVVDD-UHFFFAOYSA-N -1 3 374.495 3.319 20 0 FGADHM CC(C)c1cnc(NC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000735933510 599228440 /nfs/dbraw/zinc/22/84/40/599228440.db2.gz XUYRWJVGXOVVDD-UHFFFAOYSA-N -1 3 374.495 3.319 20 0 FGADHM CCOc1ccc(SCC(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1 ZINC000821426990 607268431 /nfs/dbraw/zinc/26/84/31/607268431.db2.gz LNPWMPHRGGXEAM-UHFFFAOYSA-N -1 3 369.450 3.305 20 0 FGADHM CCOc1ccc(SCC(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1 ZINC000821426990 607268432 /nfs/dbraw/zinc/26/84/32/607268432.db2.gz LNPWMPHRGGXEAM-UHFFFAOYSA-N -1 3 369.450 3.305 20 0 FGADHM Cc1c(NC(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)cccc1-c1nnn[n-]1 ZINC000822061293 607266519 /nfs/dbraw/zinc/26/65/19/607266519.db2.gz LTLXUEJDKMHIED-VXGBXAGGSA-N -1 3 355.348 3.196 20 0 FGADHM Cc1c(NC(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)cccc1-c1nn[n-]n1 ZINC000822061293 607266520 /nfs/dbraw/zinc/26/65/20/607266520.db2.gz LTLXUEJDKMHIED-VXGBXAGGSA-N -1 3 355.348 3.196 20 0 FGADHM Cc1c(NC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)cccc1-c1nnn[n-]1 ZINC000822059591 607266869 /nfs/dbraw/zinc/26/68/69/607266869.db2.gz DEGRRNTWBWZIGM-QWHCGFSZSA-N -1 3 355.348 3.196 20 0 FGADHM Cc1c(NC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)cccc1-c1nn[n-]n1 ZINC000822059591 607266870 /nfs/dbraw/zinc/26/68/70/607266870.db2.gz DEGRRNTWBWZIGM-QWHCGFSZSA-N -1 3 355.348 3.196 20 0 FGADHM CCOc1cccc(NC(=S)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000821431617 599238861 /nfs/dbraw/zinc/23/88/61/599238861.db2.gz XQWHCFRPMWBJMK-LBPRGKRZSA-N -1 3 368.466 3.313 20 0 FGADHM CCOc1cccc(NC(=S)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000821431617 599238863 /nfs/dbraw/zinc/23/88/63/599238863.db2.gz XQWHCFRPMWBJMK-LBPRGKRZSA-N -1 3 368.466 3.313 20 0 FGADHM Cc1c(NC(=O)C=Cc2ccnc3ccccc23)cccc1-c1nnn[n-]1 ZINC000822066408 607270661 /nfs/dbraw/zinc/27/06/61/607270661.db2.gz FAMAESCDOZPFIB-MDZDMXLPSA-N -1 3 356.389 3.375 20 0 FGADHM Cc1c(NC(=O)C=Cc2ccnc3ccccc23)cccc1-c1nn[n-]n1 ZINC000822066408 607270662 /nfs/dbraw/zinc/27/06/62/607270662.db2.gz FAMAESCDOZPFIB-MDZDMXLPSA-N -1 3 356.389 3.375 20 0 FGADHM CO[C@@H](CNC(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1cccc(Cl)c1 ZINC000821676865 599243537 /nfs/dbraw/zinc/24/35/37/599243537.db2.gz IXTCIFUWZFJRRA-HNNXBMFYSA-N -1 3 372.816 3.029 20 0 FGADHM CO[C@@H](CNC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1cccc(Cl)c1 ZINC000821676865 599243540 /nfs/dbraw/zinc/24/35/40/599243540.db2.gz IXTCIFUWZFJRRA-HNNXBMFYSA-N -1 3 372.816 3.029 20 0 FGADHM COc1ccc([C@H](C)CCNC(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821777766 599246373 /nfs/dbraw/zinc/24/63/73/599246373.db2.gz MGQFHCCGUBMPBI-CYBMUJFWSA-N -1 3 366.425 3.191 20 0 FGADHM COc1ccc([C@H](C)CCNC(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821777766 599246375 /nfs/dbraw/zinc/24/63/75/599246375.db2.gz MGQFHCCGUBMPBI-CYBMUJFWSA-N -1 3 366.425 3.191 20 0 FGADHM Cc1c(NC(=O)N2CCCc3sccc3C2)cccc1-c1nnn[n-]1 ZINC000822085386 607280708 /nfs/dbraw/zinc/28/07/08/607280708.db2.gz YTNAZBPOIZONOQ-UHFFFAOYSA-N -1 3 354.439 3.217 20 0 FGADHM Cc1c(NC(=O)N2CCCc3sccc3C2)cccc1-c1nn[n-]n1 ZINC000822085386 607280709 /nfs/dbraw/zinc/28/07/09/607280709.db2.gz YTNAZBPOIZONOQ-UHFFFAOYSA-N -1 3 354.439 3.217 20 0 FGADHM COc1cccc(CNc2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)c1 ZINC000737131279 599255000 /nfs/dbraw/zinc/25/50/00/599255000.db2.gz BLVDPTJTNOOOAD-UHFFFAOYSA-N -1 3 366.812 3.111 20 0 FGADHM COc1cccc(CNc2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)c1 ZINC000737131279 599255004 /nfs/dbraw/zinc/25/50/04/599255004.db2.gz BLVDPTJTNOOOAD-UHFFFAOYSA-N -1 3 366.812 3.111 20 0 FGADHM COc1ccc(F)cc1[C@@H](C)NC(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821828590 607288729 /nfs/dbraw/zinc/28/87/29/607288729.db2.gz ZGXLFZNHIIPFQR-LLVKDONJSA-N -1 3 370.388 3.206 20 0 FGADHM COc1ccc(F)cc1[C@@H](C)NC(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821828590 607288730 /nfs/dbraw/zinc/28/87/30/607288730.db2.gz ZGXLFZNHIIPFQR-LLVKDONJSA-N -1 3 370.388 3.206 20 0 FGADHM O=C([O-])Cc1ccccc1NC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000819618284 597343055 /nfs/dbraw/zinc/34/30/55/597343055.db2.gz SEFYEBGYKCLLMP-LJQANCHMSA-N -1 3 367.449 3.272 20 0 FGADHM Cc1c(NC(=O)NCCc2ccc3ccccc3n2)cccc1-c1nnn[n-]1 ZINC000822104759 607289423 /nfs/dbraw/zinc/28/94/23/607289423.db2.gz QDRVRFPFRZVHPL-UHFFFAOYSA-N -1 3 373.420 3.088 20 0 FGADHM Cc1c(NC(=O)NCCc2ccc3ccccc3n2)cccc1-c1nn[n-]n1 ZINC000822104759 607289424 /nfs/dbraw/zinc/28/94/24/607289424.db2.gz QDRVRFPFRZVHPL-UHFFFAOYSA-N -1 3 373.420 3.088 20 0 FGADHM Cc1cccc(-c2ccc(CNC(=O)c3ccc(-c4nnn[n-]4)cn3)cc2)c1 ZINC000737378364 599262138 /nfs/dbraw/zinc/26/21/38/599262138.db2.gz AJOXPKGWEOAEEH-UHFFFAOYSA-N -1 3 370.416 3.167 20 0 FGADHM Cc1cccc(-c2ccc(CNC(=O)c3ccc(-c4nn[n-]n4)cn3)cc2)c1 ZINC000737378364 599262143 /nfs/dbraw/zinc/26/21/43/599262143.db2.gz AJOXPKGWEOAEEH-UHFFFAOYSA-N -1 3 370.416 3.167 20 0 FGADHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2N[C@@H](C)CCc1ccco1 ZINC000737262502 599259171 /nfs/dbraw/zinc/25/91/71/599259171.db2.gz IEHLYLQRLLODFC-LBPRGKRZSA-N -1 3 366.400 3.311 20 0 FGADHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2N[C@@H](C)CCc1ccco1 ZINC000737262502 599259172 /nfs/dbraw/zinc/25/91/72/599259172.db2.gz IEHLYLQRLLODFC-LBPRGKRZSA-N -1 3 366.400 3.311 20 0 FGADHM O=C(c1ccccc1-c1ccccc1-c1nnn[n-]1)N1CCc2ncccc21 ZINC000823493033 607294600 /nfs/dbraw/zinc/29/46/00/607294600.db2.gz FEOLVLPRZPSPFW-UHFFFAOYSA-N -1 3 368.400 3.132 20 0 FGADHM O=C(c1ccccc1-c1ccccc1-c1nn[n-]n1)N1CCc2ncccc21 ZINC000823493033 607294601 /nfs/dbraw/zinc/29/46/01/607294601.db2.gz FEOLVLPRZPSPFW-UHFFFAOYSA-N -1 3 368.400 3.132 20 0 FGADHM COCc1c2ccccc2oc1C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821694922 607294689 /nfs/dbraw/zinc/29/46/89/607294689.db2.gz AXZPRTWMVJHJMJ-UHFFFAOYSA-N -1 3 363.377 3.320 20 0 FGADHM COCc1c2ccccc2oc1C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821694922 607294690 /nfs/dbraw/zinc/29/46/90/607294690.db2.gz AXZPRTWMVJHJMJ-UHFFFAOYSA-N -1 3 363.377 3.320 20 0 FGADHM CCC(CC)n1nccc1C(=O)Nc1sc(C)c(C)c1-c1nnn[n-]1 ZINC000820902198 607303691 /nfs/dbraw/zinc/30/36/91/607303691.db2.gz INQTXPHXPCUUCO-UHFFFAOYSA-N -1 3 359.459 3.355 20 0 FGADHM CCC(CC)n1nccc1C(=O)Nc1sc(C)c(C)c1-c1nn[n-]n1 ZINC000820902198 607303692 /nfs/dbraw/zinc/30/36/92/607303692.db2.gz INQTXPHXPCUUCO-UHFFFAOYSA-N -1 3 359.459 3.355 20 0 FGADHM CCC(CC)c1cc(CNC(=O)Nc2cc(-c3nnn[n-]3)ccc2C)on1 ZINC000820898247 599269095 /nfs/dbraw/zinc/26/90/95/599269095.db2.gz XBQVWSDBEFDIOQ-UHFFFAOYSA-N -1 3 369.429 3.388 20 0 FGADHM CCC(CC)c1cc(CNC(=O)Nc2cc(-c3nn[n-]n3)ccc2C)on1 ZINC000820898247 599269096 /nfs/dbraw/zinc/26/90/96/599269096.db2.gz XBQVWSDBEFDIOQ-UHFFFAOYSA-N -1 3 369.429 3.388 20 0 FGADHM Cc1cc(NCc2ccc(-c3nnn[n-]3)cc2)ccc1OC1CCOCC1 ZINC000822209543 607317697 /nfs/dbraw/zinc/31/76/97/607317697.db2.gz NIBMNYBQYUTWHR-UHFFFAOYSA-N -1 3 365.437 3.345 20 0 FGADHM Cc1cc(NCc2ccc(-c3nn[n-]n3)cc2)ccc1OC1CCOCC1 ZINC000822209543 607317698 /nfs/dbraw/zinc/31/76/98/607317698.db2.gz NIBMNYBQYUTWHR-UHFFFAOYSA-N -1 3 365.437 3.345 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NC[C@@H](C)Cc1cccs1 ZINC000822220332 599270854 /nfs/dbraw/zinc/27/08/54/599270854.db2.gz MKQOGYAQQGCVQS-NSHDSACASA-N -1 3 356.455 3.237 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NC[C@@H](C)Cc1cccs1 ZINC000822220332 599270857 /nfs/dbraw/zinc/27/08/57/599270857.db2.gz MKQOGYAQQGCVQS-NSHDSACASA-N -1 3 356.455 3.237 20 0 FGADHM Fc1cccc(CNc2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)c1 ZINC000737662713 599271203 /nfs/dbraw/zinc/27/12/03/599271203.db2.gz YIUOSGAUYNVYRB-UHFFFAOYSA-N -1 3 354.776 3.241 20 0 FGADHM Fc1cccc(CNc2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)c1 ZINC000737662713 599271205 /nfs/dbraw/zinc/27/12/05/599271205.db2.gz YIUOSGAUYNVYRB-UHFFFAOYSA-N -1 3 354.776 3.241 20 0 FGADHM CCO[C@H]1C[C@H](NC(=O)Nc2cc(-c3nnn[n-]3)ccc2C)C12CCCC2 ZINC000821361153 599271671 /nfs/dbraw/zinc/27/16/71/599271671.db2.gz TUKIZHOGKWPOBB-HOTGVXAUSA-N -1 3 370.457 3.034 20 0 FGADHM CCO[C@H]1C[C@H](NC(=O)Nc2cc(-c3nn[n-]n3)ccc2C)C12CCCC2 ZINC000821361153 599271673 /nfs/dbraw/zinc/27/16/73/599271673.db2.gz TUKIZHOGKWPOBB-HOTGVXAUSA-N -1 3 370.457 3.034 20 0 FGADHM COc1ccc(CNc2cc(F)ccc2OC(F)F)cc1-c1nnn[n-]1 ZINC000821821790 607318539 /nfs/dbraw/zinc/31/85/39/607318539.db2.gz WXXGIYAYGYOZLZ-UHFFFAOYSA-N -1 3 365.315 3.228 20 0 FGADHM COc1ccc(CNc2cc(F)ccc2OC(F)F)cc1-c1nn[n-]n1 ZINC000821821790 607318540 /nfs/dbraw/zinc/31/85/40/607318540.db2.gz WXXGIYAYGYOZLZ-UHFFFAOYSA-N -1 3 365.315 3.228 20 0 FGADHM CC(C)(Cc1ccccc1)C(=O)OCCOc1ccccc1-c1nnn[n-]1 ZINC000735671523 599277805 /nfs/dbraw/zinc/27/78/05/599277805.db2.gz YHLVADGWQNPNLV-UHFFFAOYSA-N -1 3 366.421 3.058 20 0 FGADHM CC(C)(Cc1ccccc1)C(=O)OCCOc1ccccc1-c1nn[n-]n1 ZINC000735671523 599277807 /nfs/dbraw/zinc/27/78/07/599277807.db2.gz YHLVADGWQNPNLV-UHFFFAOYSA-N -1 3 366.421 3.058 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CCc1ccsc1 ZINC000736488466 599279041 /nfs/dbraw/zinc/27/90/41/599279041.db2.gz RBAGOVAFTKYOCK-UHFFFAOYSA-N -1 3 356.455 3.321 20 0 FGADHM CCCC[C@H](CC)C(=O)NC1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000736438750 599279056 /nfs/dbraw/zinc/27/90/56/599279056.db2.gz KNKWVVJAGVYAIV-HNNXBMFYSA-N -1 3 370.501 3.168 20 0 FGADHM CCCC[C@H](CC)C(=O)NC1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000736438750 599279057 /nfs/dbraw/zinc/27/90/57/599279057.db2.gz KNKWVVJAGVYAIV-HNNXBMFYSA-N -1 3 370.501 3.168 20 0 FGADHM Cc1cc(-c2nn[n-]n2)cc(C)c1OCc1nc(-c2ccsc2)no1 ZINC000737221587 599283077 /nfs/dbraw/zinc/28/30/77/599283077.db2.gz NCQDXJXRLXZCDZ-UHFFFAOYSA-N -1 3 354.395 3.174 20 0 FGADHM CC1(C)C[C@H]1CNC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820589402 599290963 /nfs/dbraw/zinc/29/09/63/599290963.db2.gz DMEAAZDFBNPWHV-QMMMGPOBSA-N -1 3 354.336 3.053 20 0 FGADHM CC1(C)C[C@H]1CNC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820589402 599290966 /nfs/dbraw/zinc/29/09/66/599290966.db2.gz DMEAAZDFBNPWHV-QMMMGPOBSA-N -1 3 354.336 3.053 20 0 FGADHM Clc1ccc(N[C@@H]2CCOC3(CCSCC3)C2)c(-c2nnn[n-]2)c1 ZINC000822578718 607331270 /nfs/dbraw/zinc/33/12/70/607331270.db2.gz OOIIRWUAAZPUMC-GFCCVEGCSA-N -1 3 365.890 3.377 20 0 FGADHM Clc1ccc(N[C@@H]2CCOC3(CCSCC3)C2)c(-c2nn[n-]n2)c1 ZINC000822578718 607331271 /nfs/dbraw/zinc/33/12/71/607331271.db2.gz OOIIRWUAAZPUMC-GFCCVEGCSA-N -1 3 365.890 3.377 20 0 FGADHM Clc1cc(N[C@@H]2CCOC3(CCSCC3)C2)ccc1-c1nnn[n-]1 ZINC000822568155 607331497 /nfs/dbraw/zinc/33/14/97/607331497.db2.gz MNZLOJLKDYAYDO-GFCCVEGCSA-N -1 3 365.890 3.377 20 0 FGADHM Clc1cc(N[C@@H]2CCOC3(CCSCC3)C2)ccc1-c1nn[n-]n1 ZINC000822568155 607331498 /nfs/dbraw/zinc/33/14/98/607331498.db2.gz MNZLOJLKDYAYDO-GFCCVEGCSA-N -1 3 365.890 3.377 20 0 FGADHM CCC(=O)c1cccc(NCCCOc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000820843229 607332424 /nfs/dbraw/zinc/33/24/24/607332424.db2.gz VUTNEXZPCJCNNS-UHFFFAOYSA-N -1 3 351.410 3.340 20 0 FGADHM C[C@H](NCc1cccc(C(=O)[O-])c1)c1cc(F)ccc1N1CCC(O)CC1 ZINC000820147725 598203586 /nfs/dbraw/zinc/20/35/86/598203586.db2.gz BRLWUEURQDKDKN-AWEZNQCLSA-N -1 3 372.440 3.336 20 0 FGADHM CCOc1ccc(CCNc2ccc(-c3nn[n-]n3)cc2F)cc1OCC ZINC000736644274 598234526 /nfs/dbraw/zinc/23/45/26/598234526.db2.gz WNSYNHUBRSJRNQ-UHFFFAOYSA-N -1 3 371.416 3.458 20 0 FGADHM Fc1cccc(Sc2nnc3sc4ccccc4n23)c1-c1nnn[n-]1 ZINC000737662738 598237435 /nfs/dbraw/zinc/23/74/35/598237435.db2.gz DLXRSKULAKMBDI-UHFFFAOYSA-N -1 3 369.410 3.414 20 0 FGADHM O=C(c1cccc(-c2nnn[n-]2)c1)N1CCCC[C@@H]1Cc1ccc(F)cc1 ZINC000738271550 598240068 /nfs/dbraw/zinc/24/00/68/598240068.db2.gz XXKLLCUGNPZAJR-GOSISDBHSA-N -1 3 365.412 3.243 20 0 FGADHM O=C(c1cccc(-c2nn[n-]n2)c1)N1CCCC[C@@H]1Cc1ccc(F)cc1 ZINC000738271550 598240070 /nfs/dbraw/zinc/24/00/70/598240070.db2.gz XXKLLCUGNPZAJR-GOSISDBHSA-N -1 3 365.412 3.243 20 0 FGADHM CN(Cc1csc(Br)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736832011 598241881 /nfs/dbraw/zinc/24/18/81/598241881.db2.gz WUSSOSZSJROOOD-UHFFFAOYSA-N -1 3 368.235 3.466 20 0 FGADHM Cc1csc(-c2ccc(Nc3nnc(C)c(C)c3-c3nnn[n-]3)cc2)n1 ZINC000737449758 598248589 /nfs/dbraw/zinc/24/85/89/598248589.db2.gz ZHOCCLMLAYSSDS-UHFFFAOYSA-N -1 3 364.438 3.449 20 0 FGADHM Cc1csc(-c2ccc(Nc3nnc(C)c(C)c3-c3nn[n-]n3)cc2)n1 ZINC000737449758 598248591 /nfs/dbraw/zinc/24/85/91/598248591.db2.gz ZHOCCLMLAYSSDS-UHFFFAOYSA-N -1 3 364.438 3.449 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CC[C@H](c2cccc(F)c2)C1 ZINC000737292613 598265957 /nfs/dbraw/zinc/26/59/57/598265957.db2.gz WGZQYCYSLOIAIC-HNNXBMFYSA-N -1 3 366.400 3.336 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CC[C@H](c2cccc(F)c2)C1 ZINC000737292613 598265958 /nfs/dbraw/zinc/26/59/58/598265958.db2.gz WGZQYCYSLOIAIC-HNNXBMFYSA-N -1 3 366.400 3.336 20 0 FGADHM CN(Cc1ccccc1)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736829019 598275485 /nfs/dbraw/zinc/27/54/85/598275485.db2.gz UXAOVBVUBFUTAJ-UHFFFAOYSA-N -1 3 353.430 3.087 20 0 FGADHM CN(Cc1ccccc1)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736829019 598275487 /nfs/dbraw/zinc/27/54/87/598275487.db2.gz UXAOVBVUBFUTAJ-UHFFFAOYSA-N -1 3 353.430 3.087 20 0 FGADHM C[C@H]1CCC[C@@H](N(C)C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)C1 ZINC000736247403 598278348 /nfs/dbraw/zinc/27/83/48/598278348.db2.gz COTXVUHLDUIAKH-GXTWGEPZSA-N -1 3 359.478 3.466 20 0 FGADHM C[C@H]1CCC[C@@H](N(C)C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)C1 ZINC000736247403 598278350 /nfs/dbraw/zinc/27/83/50/598278350.db2.gz COTXVUHLDUIAKH-GXTWGEPZSA-N -1 3 359.478 3.466 20 0 FGADHM CC(C)COc1cccc(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000735845351 598280635 /nfs/dbraw/zinc/28/06/35/598280635.db2.gz WZOCXSZCYMIMRY-UHFFFAOYSA-N -1 3 369.400 3.317 20 0 FGADHM CC(C)COc1cccc(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000735845351 598280638 /nfs/dbraw/zinc/28/06/38/598280638.db2.gz WZOCXSZCYMIMRY-UHFFFAOYSA-N -1 3 369.400 3.317 20 0 FGADHM CC(C)c1ccccc1OCC(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000735933656 598281509 /nfs/dbraw/zinc/28/15/09/598281509.db2.gz YYXZHTWCASSASQ-UHFFFAOYSA-N -1 3 369.400 3.171 20 0 FGADHM CC(C)c1ccccc1OCC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000735933656 598281511 /nfs/dbraw/zinc/28/15/11/598281511.db2.gz YYXZHTWCASSASQ-UHFFFAOYSA-N -1 3 369.400 3.171 20 0 FGADHM CCN(Cc1c(F)cccc1F)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000736556564 598282284 /nfs/dbraw/zinc/28/22/84/598282284.db2.gz YTFFWOAJMXVHCS-UHFFFAOYSA-N -1 3 358.352 3.199 20 0 FGADHM CCN(Cc1c(F)cccc1F)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000736556564 598282285 /nfs/dbraw/zinc/28/22/85/598282285.db2.gz YTFFWOAJMXVHCS-UHFFFAOYSA-N -1 3 358.352 3.199 20 0 FGADHM O=C(OCCOc1cccc(-c2nnn[n-]2)c1)c1cccc(C(F)F)c1 ZINC000738221320 598289428 /nfs/dbraw/zinc/28/94/28/598289428.db2.gz GZBAEUSNVGMHCM-UHFFFAOYSA-N -1 3 360.320 3.040 20 0 FGADHM O=C(OCCOc1cccc(-c2nn[n-]n2)c1)c1cccc(C(F)F)c1 ZINC000738221320 598289430 /nfs/dbraw/zinc/28/94/30/598289430.db2.gz GZBAEUSNVGMHCM-UHFFFAOYSA-N -1 3 360.320 3.040 20 0 FGADHM O=C(OCc1cc(-c2nnn[n-]2)ccc1F)c1sccc1OC(F)F ZINC000738235859 598289537 /nfs/dbraw/zinc/28/95/37/598289537.db2.gz BBCDDHSVPGFWPT-UHFFFAOYSA-N -1 3 370.312 3.026 20 0 FGADHM O=C(OCc1cc(-c2nn[n-]n2)ccc1F)c1sccc1OC(F)F ZINC000738235859 598289538 /nfs/dbraw/zinc/28/95/38/598289538.db2.gz BBCDDHSVPGFWPT-UHFFFAOYSA-N -1 3 370.312 3.026 20 0 FGADHM CC(C)Cc1ccc(CS(=O)(=O)Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000735851198 598290659 /nfs/dbraw/zinc/29/06/59/598290659.db2.gz YRBFDTKHHFTTIQ-UHFFFAOYSA-N -1 3 370.478 3.180 20 0 FGADHM CC(C)Cc1ccc(CS(=O)(=O)Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000735851198 598290661 /nfs/dbraw/zinc/29/06/61/598290661.db2.gz YRBFDTKHHFTTIQ-UHFFFAOYSA-N -1 3 370.478 3.180 20 0 FGADHM O=C(Nc1sccc1-c1nnn[n-]1)c1ccnc(Oc2ccccc2)c1 ZINC000738212567 598296797 /nfs/dbraw/zinc/29/67/97/598296797.db2.gz XAQJUYAGYIEGAX-UHFFFAOYSA-N -1 3 364.390 3.368 20 0 FGADHM O=C(Nc1sccc1-c1nn[n-]n1)c1ccnc(Oc2ccccc2)c1 ZINC000738212567 598296798 /nfs/dbraw/zinc/29/67/98/598296798.db2.gz XAQJUYAGYIEGAX-UHFFFAOYSA-N -1 3 364.390 3.368 20 0 FGADHM CSc1cccc(N(C)C(=O)C=Cc2ccccc2-c2nnn[n-]2)c1 ZINC000737190320 598297432 /nfs/dbraw/zinc/29/74/32/598297432.db2.gz FUJHDCPJTCZPCU-KHPPLWFESA-N -1 3 351.435 3.265 20 0 FGADHM CSc1cccc(N(C)C(=O)C=Cc2ccccc2-c2nn[n-]n2)c1 ZINC000737190320 598297433 /nfs/dbraw/zinc/29/74/33/598297433.db2.gz FUJHDCPJTCZPCU-KHPPLWFESA-N -1 3 351.435 3.265 20 0 FGADHM Cc1c2cc(F)ccc2oc1C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737215293 598305021 /nfs/dbraw/zinc/30/50/21/598305021.db2.gz ZJXVVHIIGLSPDU-UHFFFAOYSA-N -1 3 369.331 3.130 20 0 FGADHM Cc1c2cc(F)ccc2oc1C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737215293 598305023 /nfs/dbraw/zinc/30/50/23/598305023.db2.gz ZJXVVHIIGLSPDU-UHFFFAOYSA-N -1 3 369.331 3.130 20 0 FGADHM CCCC[C@@H](CC)CSCC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000736439024 598314637 /nfs/dbraw/zinc/31/46/37/598314637.db2.gz RDNCSGHUOUXMFH-CQSZACIVSA-N -1 3 361.515 3.433 20 0 FGADHM CCCC[C@@H](CC)CSCC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000736439024 598314640 /nfs/dbraw/zinc/31/46/40/598314640.db2.gz RDNCSGHUOUXMFH-CQSZACIVSA-N -1 3 361.515 3.433 20 0 FGADHM Fc1ccc(CSCc2cccc3c2OCCO3)c(-c2nnn[n-]2)c1 ZINC000737649438 598315697 /nfs/dbraw/zinc/31/56/97/598315697.db2.gz OFRBIEWTBUPWCR-UHFFFAOYSA-N -1 3 358.398 3.210 20 0 FGADHM Fc1ccc(CSCc2cccc3c2OCCO3)c(-c2nn[n-]n2)c1 ZINC000737649438 598315699 /nfs/dbraw/zinc/31/56/99/598315699.db2.gz OFRBIEWTBUPWCR-UHFFFAOYSA-N -1 3 358.398 3.210 20 0 FGADHM CCc1ccc([C@H](C)NC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000736685498 598317123 /nfs/dbraw/zinc/31/71/23/598317123.db2.gz MCQQOIVUFLQHJR-LBPRGKRZSA-N -1 3 368.416 3.129 20 0 FGADHM CCc1ccc([C@H](C)NC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000736685498 598317125 /nfs/dbraw/zinc/31/71/25/598317125.db2.gz MCQQOIVUFLQHJR-LBPRGKRZSA-N -1 3 368.416 3.129 20 0 FGADHM S=C(NCCc1cccs1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000738400956 598317471 /nfs/dbraw/zinc/31/74/71/598317471.db2.gz LTJHEAOGKHGHCI-UHFFFAOYSA-N -1 3 364.887 3.111 20 0 FGADHM S=C(NCCc1cccs1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000738400956 598317473 /nfs/dbraw/zinc/31/74/73/598317473.db2.gz LTJHEAOGKHGHCI-UHFFFAOYSA-N -1 3 364.887 3.111 20 0 FGADHM S=C(NCCCc1ccccc1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000738402163 598317868 /nfs/dbraw/zinc/31/78/68/598317868.db2.gz YOIAZFJMMRWEMJ-UHFFFAOYSA-N -1 3 372.885 3.439 20 0 FGADHM S=C(NCCCc1ccccc1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000738402163 598317871 /nfs/dbraw/zinc/31/78/71/598317871.db2.gz YOIAZFJMMRWEMJ-UHFFFAOYSA-N -1 3 372.885 3.439 20 0 FGADHM CC(C)c1cccc(NC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000735927756 598321713 /nfs/dbraw/zinc/32/17/13/598321713.db2.gz BFRSMQYHEKFBTH-UHFFFAOYSA-N -1 3 354.389 3.451 20 0 FGADHM CC(C)c1cccc(NC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000735927756 598321715 /nfs/dbraw/zinc/32/17/15/598321715.db2.gz BFRSMQYHEKFBTH-UHFFFAOYSA-N -1 3 354.389 3.451 20 0 FGADHM C[C@@H](c1cccnc1)N(C)C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736199866 598323992 /nfs/dbraw/zinc/32/39/92/598323992.db2.gz BJZZADZBMMZNKE-JTQLQIEISA-N -1 3 373.873 3.305 20 0 FGADHM C[C@@H](c1cccnc1)N(C)C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736199866 598323994 /nfs/dbraw/zinc/32/39/94/598323994.db2.gz BJZZADZBMMZNKE-JTQLQIEISA-N -1 3 373.873 3.305 20 0 FGADHM S=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)NC1(c2ccccc2)CC1 ZINC000738408122 598325332 /nfs/dbraw/zinc/32/53/32/598325332.db2.gz LAIRMJYXSWLHJO-UHFFFAOYSA-N -1 3 370.869 3.496 20 0 FGADHM S=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)NC1(c2ccccc2)CC1 ZINC000738408122 598325334 /nfs/dbraw/zinc/32/53/34/598325334.db2.gz LAIRMJYXSWLHJO-UHFFFAOYSA-N -1 3 370.869 3.496 20 0 FGADHM C[C@H](OC(=O)c1cc2cc(F)ccc2[nH]1)c1cccc(-c2nnn[n-]2)c1 ZINC000736160596 598331382 /nfs/dbraw/zinc/33/13/82/598331382.db2.gz SMGNMLQFTLXLTN-JTQLQIEISA-N -1 3 351.341 3.405 20 0 FGADHM C[C@H](OC(=O)c1cc2cc(F)ccc2[nH]1)c1cccc(-c2nn[n-]n2)c1 ZINC000736160596 598331383 /nfs/dbraw/zinc/33/13/83/598331383.db2.gz SMGNMLQFTLXLTN-JTQLQIEISA-N -1 3 351.341 3.405 20 0 FGADHM CCOCc1cccc(NC(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC000736624643 598360626 /nfs/dbraw/zinc/36/06/26/598360626.db2.gz BTASVCOICDNIQF-UHFFFAOYSA-N -1 3 366.425 3.067 20 0 FGADHM CCOCc1cccc(NC(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC000736624643 598360627 /nfs/dbraw/zinc/36/06/27/598360627.db2.gz BTASVCOICDNIQF-UHFFFAOYSA-N -1 3 366.425 3.067 20 0 FGADHM C[C@H](CC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1F ZINC000735977971 598364810 /nfs/dbraw/zinc/36/48/10/598364810.db2.gz XUKKINFPMAXZRP-OLZOCXBDSA-N -1 3 353.401 3.377 20 0 FGADHM C[C@H](CC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1F ZINC000735977971 598364811 /nfs/dbraw/zinc/36/48/11/598364811.db2.gz XUKKINFPMAXZRP-OLZOCXBDSA-N -1 3 353.401 3.377 20 0 FGADHM CCN(Cc1cn(-c2ccccc2)nn1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736555758 598369171 /nfs/dbraw/zinc/36/91/71/598369171.db2.gz LTBCVNYLMFRMCF-OAHLLOKOSA-N -1 3 374.452 3.031 20 0 FGADHM CCN(Cc1cn(-c2ccccc2)nn1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736555758 598369173 /nfs/dbraw/zinc/36/91/73/598369173.db2.gz LTBCVNYLMFRMCF-OAHLLOKOSA-N -1 3 374.452 3.031 20 0 FGADHM Cc1ccc(C)c(SC[C@H](O)COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737327293 598369447 /nfs/dbraw/zinc/36/94/47/598369447.db2.gz YJZYNPRUDVGYTI-OAHLLOKOSA-N -1 3 356.451 3.016 20 0 FGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cccc2c1ccn2C ZINC000735873192 598383870 /nfs/dbraw/zinc/38/38/70/598383870.db2.gz BKGIKZBPTGSKFP-UHFFFAOYSA-N -1 3 374.448 3.409 20 0 FGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cccc2c1ccn2C ZINC000735873192 598383872 /nfs/dbraw/zinc/38/38/72/598383872.db2.gz BKGIKZBPTGSKFP-UHFFFAOYSA-N -1 3 374.448 3.409 20 0 FGADHM CCC(=O)c1cccc(NC(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000820842631 607355881 /nfs/dbraw/zinc/35/58/81/607355881.db2.gz OZYZGQYLRNZMIF-UHFFFAOYSA-N -1 3 364.409 3.123 20 0 FGADHM CCC(=O)c1cccc(NC(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000820842631 607355883 /nfs/dbraw/zinc/35/58/83/607355883.db2.gz OZYZGQYLRNZMIF-UHFFFAOYSA-N -1 3 364.409 3.123 20 0 FGADHM Clc1cc(-c2nnn[n-]2)cnc1NCc1ccc(OC2CCCC2)nc1 ZINC000737557577 598391653 /nfs/dbraw/zinc/39/16/53/598391653.db2.gz GCOWNEZBXLZZSO-UHFFFAOYSA-N -1 3 371.832 3.244 20 0 FGADHM Clc1cc(-c2nn[n-]n2)cnc1NCc1ccc(OC2CCCC2)nc1 ZINC000737557577 598391655 /nfs/dbraw/zinc/39/16/55/598391655.db2.gz GCOWNEZBXLZZSO-UHFFFAOYSA-N -1 3 371.832 3.244 20 0 FGADHM COc1cccc([C@H]2C[C@H]2C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000737131782 598394317 /nfs/dbraw/zinc/39/43/17/598394317.db2.gz YYYLZSGKPKXRFD-HUUCEWRRSA-N -1 3 369.812 3.271 20 0 FGADHM COc1cccc([C@H]2C[C@H]2C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000737131782 598394319 /nfs/dbraw/zinc/39/43/19/598394319.db2.gz YYYLZSGKPKXRFD-HUUCEWRRSA-N -1 3 369.812 3.271 20 0 FGADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)[C@H]2C[C@@H]2c2cccc(OC)c2)s1 ZINC000736679063 598395471 /nfs/dbraw/zinc/39/54/71/598395471.db2.gz JSXAMZGEEOLDIP-KGLIPLIRSA-N -1 3 369.450 3.241 20 0 FGADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)[C@H]2C[C@@H]2c2cccc(OC)c2)s1 ZINC000736679063 598395472 /nfs/dbraw/zinc/39/54/72/598395472.db2.gz JSXAMZGEEOLDIP-KGLIPLIRSA-N -1 3 369.450 3.241 20 0 FGADHM CC(C)COc1ccc(CC(=O)OCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735845604 598411430 /nfs/dbraw/zinc/41/14/30/598411430.db2.gz ZCUKRJIUHYVSGM-UHFFFAOYSA-N -1 3 366.421 3.187 20 0 FGADHM CC(C)COc1ccc(CC(=O)OCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735845604 598411431 /nfs/dbraw/zinc/41/14/31/598411431.db2.gz ZCUKRJIUHYVSGM-UHFFFAOYSA-N -1 3 366.421 3.187 20 0 FGADHM COc1cccc([C@@H]2C[C@H]2C(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000737131950 598414974 /nfs/dbraw/zinc/41/49/74/598414974.db2.gz ZFDKPPMTFBJPMZ-OCBCSQNSSA-N -1 3 364.405 3.283 20 0 FGADHM COc1cccc([C@@H]2C[C@H]2C(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737131950 598414976 /nfs/dbraw/zinc/41/49/76/598414976.db2.gz ZFDKPPMTFBJPMZ-OCBCSQNSSA-N -1 3 364.405 3.283 20 0 FGADHM C[C@@H](NC(=O)CNc1cccc(-c2nnn[n-]2)c1)c1cccc2ccccc21 ZINC000736104412 598419780 /nfs/dbraw/zinc/41/97/80/598419780.db2.gz HEYDBJNEIBHMJB-CQSZACIVSA-N -1 3 372.432 3.309 20 0 FGADHM C[C@@H](NC(=O)CNc1cccc(-c2nn[n-]n2)c1)c1cccc2ccccc21 ZINC000736104412 598419781 /nfs/dbraw/zinc/41/97/81/598419781.db2.gz HEYDBJNEIBHMJB-CQSZACIVSA-N -1 3 372.432 3.309 20 0 FGADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1)c1sccc1SC(F)F ZINC000738250590 598420150 /nfs/dbraw/zinc/42/01/50/598420150.db2.gz IPROGPGVPCYSEV-UHFFFAOYSA-N -1 3 354.363 3.462 20 0 FGADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1)c1sccc1SC(F)F ZINC000738250590 598420152 /nfs/dbraw/zinc/42/01/52/598420152.db2.gz IPROGPGVPCYSEV-UHFFFAOYSA-N -1 3 354.363 3.462 20 0 FGADHM O=C1OC(c2c(F)cccc2Cl)=NC1=Cc1ccc(-c2nnn[n-]2)cc1 ZINC000738318494 598420247 /nfs/dbraw/zinc/42/02/47/598420247.db2.gz JTBTYVJDVNJSGF-JYRVWZFOSA-N -1 3 369.743 3.004 20 0 FGADHM O=C1OC(c2c(F)cccc2Cl)=NC1=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000738318494 598420250 /nfs/dbraw/zinc/42/02/50/598420250.db2.gz JTBTYVJDVNJSGF-JYRVWZFOSA-N -1 3 369.743 3.004 20 0 FGADHM O=C1OC(c2c(F)cccc2Cl)=NC1=Cc1cccc(-c2nnn[n-]2)c1 ZINC000738317694 598420389 /nfs/dbraw/zinc/42/03/89/598420389.db2.gz FVPGDKULTMWZNP-MDWZMJQESA-N -1 3 369.743 3.004 20 0 FGADHM O=C1OC(c2c(F)cccc2Cl)=NC1=Cc1cccc(-c2nn[n-]n2)c1 ZINC000738317694 598420391 /nfs/dbraw/zinc/42/03/91/598420391.db2.gz FVPGDKULTMWZNP-MDWZMJQESA-N -1 3 369.743 3.004 20 0 FGADHM C[C@@H](NC(=O)[C@H](C)Sc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000736193944 598422800 /nfs/dbraw/zinc/42/28/00/598422800.db2.gz VFMGLNVQIJOLLF-OLZOCXBDSA-N -1 3 353.451 3.225 20 0 FGADHM C[C@@H](NC(=O)[C@H](C)Sc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000736193944 598422803 /nfs/dbraw/zinc/42/28/03/598422803.db2.gz VFMGLNVQIJOLLF-OLZOCXBDSA-N -1 3 353.451 3.225 20 0 FGADHM COc1ccc(NCc2ccccc2-c2nnn[n-]2)c(Br)c1 ZINC000737105906 598423845 /nfs/dbraw/zinc/42/38/45/598423845.db2.gz MNJBQDAUGRQNDV-UHFFFAOYSA-N -1 3 360.215 3.250 20 0 FGADHM COc1ccc(NCc2ccccc2-c2nn[n-]n2)c(Br)c1 ZINC000737105906 598423846 /nfs/dbraw/zinc/42/38/46/598423846.db2.gz MNJBQDAUGRQNDV-UHFFFAOYSA-N -1 3 360.215 3.250 20 0 FGADHM Cc1ccsc1CNC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000737441597 598428431 /nfs/dbraw/zinc/42/84/31/598428431.db2.gz HIENGLIFOJYNCZ-UHFFFAOYSA-N -1 3 370.482 3.357 20 0 FGADHM Cc1ccsc1CNC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000737441597 598428432 /nfs/dbraw/zinc/42/84/32/598428432.db2.gz HIENGLIFOJYNCZ-UHFFFAOYSA-N -1 3 370.482 3.357 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NCCc1cc2ccccc2[nH]1 ZINC000822220112 607354862 /nfs/dbraw/zinc/35/48/62/607354862.db2.gz DLWCJMWQFOPOLX-UHFFFAOYSA-N -1 3 361.409 3.021 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NCCc1cc2ccccc2[nH]1 ZINC000822220112 607354863 /nfs/dbraw/zinc/35/48/63/607354863.db2.gz DLWCJMWQFOPOLX-UHFFFAOYSA-N -1 3 361.409 3.021 20 0 FGADHM COc1ccc(SCCC(=O)Nc2sccc2-c2nnn[n-]2)cc1 ZINC000737117694 598432543 /nfs/dbraw/zinc/43/25/43/598432543.db2.gz ZSEZNMKXBOORNG-UHFFFAOYSA-N -1 3 361.452 3.058 20 0 FGADHM COc1ccc(SCCC(=O)Nc2sccc2-c2nn[n-]n2)cc1 ZINC000737117694 598432544 /nfs/dbraw/zinc/43/25/44/598432544.db2.gz ZSEZNMKXBOORNG-UHFFFAOYSA-N -1 3 361.452 3.058 20 0 FGADHM O=C(Oc1ccc(Cl)c2ccccc12)c1ccc(-c2nnn[n-]2)cn1 ZINC000738252323 598436326 /nfs/dbraw/zinc/43/63/26/598436326.db2.gz ZRWLSVCACYNJEN-UHFFFAOYSA-N -1 3 351.753 3.288 20 0 FGADHM O=C(Oc1ccc(Cl)c2ccccc12)c1ccc(-c2nn[n-]n2)cn1 ZINC000738252323 598436328 /nfs/dbraw/zinc/43/63/28/598436328.db2.gz ZRWLSVCACYNJEN-UHFFFAOYSA-N -1 3 351.753 3.288 20 0 FGADHM CCc1ccc(OC(=O)c2ccc(-c3nnn[n-]3)cn2)c(C(C)(C)C)c1 ZINC000736692726 598436532 /nfs/dbraw/zinc/43/65/32/598436532.db2.gz XORQJUZRFCPWDU-UHFFFAOYSA-N -1 3 351.410 3.341 20 0 FGADHM CCc1ccc(OC(=O)c2ccc(-c3nn[n-]n3)cn2)c(C(C)(C)C)c1 ZINC000736692726 598436534 /nfs/dbraw/zinc/43/65/34/598436534.db2.gz XORQJUZRFCPWDU-UHFFFAOYSA-N -1 3 351.410 3.341 20 0 FGADHM c1csc(Cc2nnc(SCc3ccc(-c4nnn[n-]4)cc3)o2)c1 ZINC000738452237 598440378 /nfs/dbraw/zinc/44/03/78/598440378.db2.gz MJDAIOVLHYUZCW-UHFFFAOYSA-N -1 3 356.436 3.194 20 0 FGADHM c1csc(Cc2nnc(SCc3ccc(-c4nn[n-]n4)cc3)o2)c1 ZINC000738452237 598440379 /nfs/dbraw/zinc/44/03/79/598440379.db2.gz MJDAIOVLHYUZCW-UHFFFAOYSA-N -1 3 356.436 3.194 20 0 FGADHM CCCCN(C(=O)c1ccc(-c2nnn[n-]2)cn1)[C@H](C)c1ccc(C)o1 ZINC000736451077 598442212 /nfs/dbraw/zinc/44/22/12/598442212.db2.gz GMANLXPFJQPIMS-CYBMUJFWSA-N -1 3 354.414 3.167 20 0 FGADHM CCCCN(C(=O)c1ccc(-c2nn[n-]n2)cn1)[C@H](C)c1ccc(C)o1 ZINC000736451077 598442214 /nfs/dbraw/zinc/44/22/14/598442214.db2.gz GMANLXPFJQPIMS-CYBMUJFWSA-N -1 3 354.414 3.167 20 0 FGADHM COc1ccc(COCCCNc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000737098321 598456420 /nfs/dbraw/zinc/45/64/20/598456420.db2.gz UXIDCMGAZBDWBT-UHFFFAOYSA-N -1 3 357.389 3.033 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N(C)C[C@@H](C)c1ccccc1 ZINC000737290705 598476818 /nfs/dbraw/zinc/47/68/18/598476818.db2.gz FSTRYXVUNGRPKT-CQSZACIVSA-N -1 3 350.426 3.443 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N(C)C[C@@H](C)c1ccccc1 ZINC000737290705 598476819 /nfs/dbraw/zinc/47/68/19/598476819.db2.gz FSTRYXVUNGRPKT-CQSZACIVSA-N -1 3 350.426 3.443 20 0 FGADHM C[C@@H](OC(=O)CCc1cc(F)ccc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000736150536 598482802 /nfs/dbraw/zinc/48/28/02/598482802.db2.gz OHZWGRQAPMNZBY-LLVKDONJSA-N -1 3 358.348 3.382 20 0 FGADHM C[C@@H](OC(=O)CCc1cc(F)ccc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000736150536 598482803 /nfs/dbraw/zinc/48/28/03/598482803.db2.gz OHZWGRQAPMNZBY-LLVKDONJSA-N -1 3 358.348 3.382 20 0 FGADHM C[C@H](Cc1cccc(F)c1)C(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000736059721 598484195 /nfs/dbraw/zinc/48/41/95/598484195.db2.gz WAKIGQWJXCCCDV-OLZOCXBDSA-N -1 3 354.385 3.489 20 0 FGADHM C[C@H](Cc1cccc(F)c1)C(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000736059721 598484197 /nfs/dbraw/zinc/48/41/97/598484197.db2.gz WAKIGQWJXCCCDV-OLZOCXBDSA-N -1 3 354.385 3.489 20 0 FGADHM C[C@H](OC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000736148505 598487142 /nfs/dbraw/zinc/48/71/42/598487142.db2.gz DGPCGDBKDVXDRG-YMRXKLBXSA-N -1 3 352.369 3.414 20 0 FGADHM C[C@H](OC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000736148505 598487144 /nfs/dbraw/zinc/48/71/44/598487144.db2.gz DGPCGDBKDVXDRG-YMRXKLBXSA-N -1 3 352.369 3.414 20 0 FGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)Cc1cccc(Cl)c1 ZINC000735661040 598487851 /nfs/dbraw/zinc/48/78/51/598487851.db2.gz QCWQMWORKHKTKX-UHFFFAOYSA-N -1 3 358.833 3.258 20 0 FGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)Cc1cccc(Cl)c1 ZINC000735661040 598487852 /nfs/dbraw/zinc/48/78/52/598487852.db2.gz QCWQMWORKHKTKX-UHFFFAOYSA-N -1 3 358.833 3.258 20 0 FGADHM COc1cc(C(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc(OC)c1C ZINC000737044029 598488298 /nfs/dbraw/zinc/48/82/98/598488298.db2.gz ZODQTEORLYPCET-GFCCVEGCSA-N -1 3 368.393 3.110 20 0 FGADHM COc1cc(C(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc(OC)c1C ZINC000737044029 598488300 /nfs/dbraw/zinc/48/83/00/598488300.db2.gz ZODQTEORLYPCET-GFCCVEGCSA-N -1 3 368.393 3.110 20 0 FGADHM CSc1ccc(C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)cc1 ZINC000737193930 598490108 /nfs/dbraw/zinc/49/01/08/598490108.db2.gz ZXOZGORNLAUZLK-UHFFFAOYSA-N -1 3 356.455 3.397 20 0 FGADHM CSc1ccc(C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)cc1 ZINC000737193930 598490110 /nfs/dbraw/zinc/49/01/10/598490110.db2.gz ZXOZGORNLAUZLK-UHFFFAOYSA-N -1 3 356.455 3.397 20 0 FGADHM C[C@H](OC(=O)[C@@H]1Cc2ccccc2S1)c1cccc(-c2nnn[n-]2)c1 ZINC000736152462 598490181 /nfs/dbraw/zinc/49/01/81/598490181.db2.gz OMDAYWRPNADBOY-ZBEGNZNMSA-N -1 3 352.419 3.188 20 0 FGADHM C[C@H](OC(=O)[C@@H]1Cc2ccccc2S1)c1cccc(-c2nn[n-]n2)c1 ZINC000736152462 598490182 /nfs/dbraw/zinc/49/01/82/598490182.db2.gz OMDAYWRPNADBOY-ZBEGNZNMSA-N -1 3 352.419 3.188 20 0 FGADHM COc1ccc(C=CC(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737082501 598490925 /nfs/dbraw/zinc/49/09/25/598490925.db2.gz WCFLWURWVCAMPR-YKWSONSWSA-N -1 3 350.378 3.193 20 0 FGADHM COc1ccc(C=CC(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737082501 598490926 /nfs/dbraw/zinc/49/09/26/598490926.db2.gz WCFLWURWVCAMPR-YKWSONSWSA-N -1 3 350.378 3.193 20 0 FGADHM C[C@@H](OC(=O)CCc1nc2ccccc2o1)c1cccc(-c2nnn[n-]2)c1 ZINC000736150372 598491246 /nfs/dbraw/zinc/49/12/46/598491246.db2.gz NLVYJCJWXMWWFG-GFCCVEGCSA-N -1 3 363.377 3.245 20 0 FGADHM C[C@@H](OC(=O)CCc1nc2ccccc2o1)c1cccc(-c2nn[n-]n2)c1 ZINC000736150372 598491248 /nfs/dbraw/zinc/49/12/48/598491248.db2.gz NLVYJCJWXMWWFG-GFCCVEGCSA-N -1 3 363.377 3.245 20 0 FGADHM Cc1cccc(O[C@H](C)C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000737401649 598492347 /nfs/dbraw/zinc/49/23/47/598492347.db2.gz ONBZYQSWIUTGNQ-UONOGXRCSA-N -1 3 352.394 3.247 20 0 FGADHM Cc1cccc(O[C@H](C)C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737401649 598492348 /nfs/dbraw/zinc/49/23/48/598492348.db2.gz ONBZYQSWIUTGNQ-UONOGXRCSA-N -1 3 352.394 3.247 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1csc(-c2ccoc2)n1 ZINC000737294338 598493714 /nfs/dbraw/zinc/49/37/14/598493714.db2.gz LZJBOEJXAUFAKH-UHFFFAOYSA-N -1 3 352.379 3.144 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1csc(-c2ccoc2)n1 ZINC000737294338 598493715 /nfs/dbraw/zinc/49/37/15/598493715.db2.gz LZJBOEJXAUFAKH-UHFFFAOYSA-N -1 3 352.379 3.144 20 0 FGADHM CC(C)C[C@H](C)CC(=O)NCCSCc1ccccc1-c1nnn[n-]1 ZINC000735761842 598494577 /nfs/dbraw/zinc/49/45/77/598494577.db2.gz QABGKOHDMTWIES-AWEZNQCLSA-N -1 3 361.515 3.288 20 0 FGADHM CC(C)C[C@H](C)CC(=O)NCCSCc1ccccc1-c1nn[n-]n1 ZINC000735761842 598494578 /nfs/dbraw/zinc/49/45/78/598494578.db2.gz QABGKOHDMTWIES-AWEZNQCLSA-N -1 3 361.515 3.288 20 0 FGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Cc1cccc(Cl)c1 ZINC000735875637 598494630 /nfs/dbraw/zinc/49/46/30/598494630.db2.gz XSGLJVFWROBLEB-UHFFFAOYSA-N -1 3 369.856 3.500 20 0 FGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Cc1cccc(Cl)c1 ZINC000735875637 598494631 /nfs/dbraw/zinc/49/46/31/598494631.db2.gz XSGLJVFWROBLEB-UHFFFAOYSA-N -1 3 369.856 3.500 20 0 FGADHM O=C(Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1)[C@@H]1CCCOC1 ZINC000738171073 598498597 /nfs/dbraw/zinc/49/85/97/598498597.db2.gz AAEUGCJABIAHKU-CQSZACIVSA-N -1 3 365.393 3.024 20 0 FGADHM O=C(Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)[C@@H]1CCCOC1 ZINC000738171073 598498599 /nfs/dbraw/zinc/49/85/99/598498599.db2.gz AAEUGCJABIAHKU-CQSZACIVSA-N -1 3 365.393 3.024 20 0 FGADHM Cc1nc(CC(C)C)sc1C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737474953 598498802 /nfs/dbraw/zinc/49/88/02/598498802.db2.gz UVERCCUXAZLPKV-NSHDSACASA-N -1 3 370.482 3.321 20 0 FGADHM Cc1nc(CC(C)C)sc1C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737474953 598498803 /nfs/dbraw/zinc/49/88/03/598498803.db2.gz UVERCCUXAZLPKV-NSHDSACASA-N -1 3 370.482 3.321 20 0 FGADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N(CC1CC1)C1CCCCC1 ZINC000736163972 598499203 /nfs/dbraw/zinc/49/92/03/598499203.db2.gz LPSXAXFKKGTNJB-CQSZACIVSA-N -1 3 369.469 3.205 20 0 FGADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N(CC1CC1)C1CCCCC1 ZINC000736179380 598499756 /nfs/dbraw/zinc/49/97/56/598499756.db2.gz CWKDVNQMRBCMEV-AWEZNQCLSA-N -1 3 369.469 3.205 20 0 FGADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N(CC1CC1)C1CCCCC1 ZINC000736179380 598499758 /nfs/dbraw/zinc/49/97/58/598499758.db2.gz CWKDVNQMRBCMEV-AWEZNQCLSA-N -1 3 369.469 3.205 20 0 FGADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)cn1)c1ccc(F)c(Br)c1 ZINC000737194165 598503986 /nfs/dbraw/zinc/50/39/86/598503986.db2.gz CTHNXNNANLKTJL-MRVPVSSYSA-N -1 3 363.194 3.336 20 0 FGADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cn1)c1ccc(F)c(Br)c1 ZINC000737194165 598503987 /nfs/dbraw/zinc/50/39/87/598503987.db2.gz CTHNXNNANLKTJL-MRVPVSSYSA-N -1 3 363.194 3.336 20 0 FGADHM Cc1nc(COc2ccc(Nc3cccc(F)c3-c3nnn[n-]3)cc2)no1 ZINC000737476379 598504116 /nfs/dbraw/zinc/50/41/16/598504116.db2.gz CSENJALZZKXALU-UHFFFAOYSA-N -1 3 367.344 3.020 20 0 FGADHM Cc1nc(COc2ccc(Nc3cccc(F)c3-c3nn[n-]n3)cc2)no1 ZINC000737476379 598504118 /nfs/dbraw/zinc/50/41/18/598504118.db2.gz CSENJALZZKXALU-UHFFFAOYSA-N -1 3 367.344 3.020 20 0 FGADHM CCc1c(C)sc(NC(=O)c2cc(C)n(C(C)(C)C)n2)c1-c1nnn[n-]1 ZINC000736675250 598515637 /nfs/dbraw/zinc/51/56/37/598515637.db2.gz INTKRQANDRBLRG-UHFFFAOYSA-N -1 3 373.486 3.311 20 0 FGADHM CCc1c(C)sc(NC(=O)c2cc(C)n(C(C)(C)C)n2)c1-c1nn[n-]n1 ZINC000736675250 598515639 /nfs/dbraw/zinc/51/56/39/598515639.db2.gz INTKRQANDRBLRG-UHFFFAOYSA-N -1 3 373.486 3.311 20 0 FGADHM Brc1cccc2c1CC[C@H]2Nc1ccc(-c2nnn[n-]2)cn1 ZINC000735368118 598522164 /nfs/dbraw/zinc/52/21/64/598522164.db2.gz GEGWMENJBVFACS-CYBMUJFWSA-N -1 3 357.215 3.124 20 0 FGADHM Brc1cccc2c1CC[C@H]2Nc1ccc(-c2nn[n-]n2)cn1 ZINC000735368118 598522165 /nfs/dbraw/zinc/52/21/65/598522165.db2.gz GEGWMENJBVFACS-CYBMUJFWSA-N -1 3 357.215 3.124 20 0 FGADHM Fc1ccc([C@@H](NCc2ccc(-c3nn[n-]n3)cc2)c2ccccn2)cc1 ZINC000737650182 598526784 /nfs/dbraw/zinc/52/67/84/598526784.db2.gz NZIWLRYOCJTHKD-LJQANCHMSA-N -1 3 360.396 3.280 20 0 FGADHM CCC[C@H](Cc1ccccc1)NC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000736425439 598527119 /nfs/dbraw/zinc/52/71/19/598527119.db2.gz GHPQXINTYQFQQF-GOSISDBHSA-N -1 3 364.453 3.077 20 0 FGADHM CCC[C@H](Cc1ccccc1)NC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000736425439 598527120 /nfs/dbraw/zinc/52/71/20/598527120.db2.gz GHPQXINTYQFQQF-GOSISDBHSA-N -1 3 364.453 3.077 20 0 FGADHM FC(F)c1nc2ccccc2c(NCc2cccc(-c3nnn[n-]3)c2)n1 ZINC000737639370 598536947 /nfs/dbraw/zinc/53/69/47/598536947.db2.gz PSOPDGVNMWAUIH-UHFFFAOYSA-N -1 3 353.336 3.360 20 0 FGADHM FC(F)c1nc2ccccc2c(NCc2cccc(-c3nn[n-]n3)c2)n1 ZINC000737639370 598536948 /nfs/dbraw/zinc/53/69/48/598536948.db2.gz PSOPDGVNMWAUIH-UHFFFAOYSA-N -1 3 353.336 3.360 20 0 FGADHM Cc1ccc(C)c(CC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)c1 ZINC000737321599 598539613 /nfs/dbraw/zinc/53/96/13/598539613.db2.gz GOXOFPXKIZJZRX-UHFFFAOYSA-N -1 3 361.449 3.217 20 0 FGADHM Cc1ccc(C)c(CC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)c1 ZINC000737321599 598539616 /nfs/dbraw/zinc/53/96/16/598539616.db2.gz GOXOFPXKIZJZRX-UHFFFAOYSA-N -1 3 361.449 3.217 20 0 FGADHM CCn1c(COc2ccc(-c3nnn[n-]3)c(F)c2)nc2c1cccc2F ZINC000736713699 598550463 /nfs/dbraw/zinc/55/04/63/598550463.db2.gz LVPGBNDBEDFSKA-UHFFFAOYSA-N -1 3 356.336 3.094 20 0 FGADHM CCn1c(COc2ccc(-c3nn[n-]n3)c(F)c2)nc2c1cccc2F ZINC000736713699 598550464 /nfs/dbraw/zinc/55/04/64/598550464.db2.gz LVPGBNDBEDFSKA-UHFFFAOYSA-N -1 3 356.336 3.094 20 0 FGADHM CC(C)NC(=S)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735888515 598551576 /nfs/dbraw/zinc/55/15/76/598551576.db2.gz LNTLTJDOZHNQSJ-UHFFFAOYSA-N -1 3 354.439 3.354 20 0 FGADHM CC(C)NC(=S)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735888515 598551577 /nfs/dbraw/zinc/55/15/77/598551577.db2.gz LNTLTJDOZHNQSJ-UHFFFAOYSA-N -1 3 354.439 3.354 20 0 FGADHM CCCNC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000736487858 598558743 /nfs/dbraw/zinc/55/87/43/598558743.db2.gz MGWZYTSMPUJZOX-UHFFFAOYSA-N -1 3 366.425 3.286 20 0 FGADHM CCCNC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000736487858 598558744 /nfs/dbraw/zinc/55/87/44/598558744.db2.gz MGWZYTSMPUJZOX-UHFFFAOYSA-N -1 3 366.425 3.286 20 0 FGADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1cc(F)ccc1Cl ZINC000736821456 598558804 /nfs/dbraw/zinc/55/88/04/598558804.db2.gz VKUWRLUPPTUCCR-UHFFFAOYSA-N -1 3 360.780 3.323 20 0 FGADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1cc(F)ccc1Cl ZINC000736821456 598558806 /nfs/dbraw/zinc/55/88/06/598558806.db2.gz VKUWRLUPPTUCCR-UHFFFAOYSA-N -1 3 360.780 3.323 20 0 FGADHM C[C@H]1CCCC[C@@H]1NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000736273797 598560564 /nfs/dbraw/zinc/56/05/64/598560564.db2.gz RUCLSHLCBSVUIR-ONGXEEELSA-N -1 3 366.372 3.168 20 0 FGADHM C[C@H]1CCCC[C@@H]1NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000736273797 598560565 /nfs/dbraw/zinc/56/05/65/598560565.db2.gz RUCLSHLCBSVUIR-ONGXEEELSA-N -1 3 366.372 3.168 20 0 FGADHM CN(Cc1ccccc1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000736828258 598560624 /nfs/dbraw/zinc/56/06/24/598560624.db2.gz MGKMRNICOTUOGZ-UHFFFAOYSA-N -1 3 374.351 3.132 20 0 FGADHM CN(Cc1ccccc1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000736828258 598560625 /nfs/dbraw/zinc/56/06/25/598560625.db2.gz MGKMRNICOTUOGZ-UHFFFAOYSA-N -1 3 374.351 3.132 20 0 FGADHM C[C@H](C(=O)OCCCOc1ccc(-c2nn[n-]n2)cc1)c1ccccc1F ZINC000735571810 598562626 /nfs/dbraw/zinc/56/26/26/598562626.db2.gz KBXUYMSFJQXJEF-ZDUSSCGKSA-N -1 3 370.384 3.122 20 0 FGADHM CC(C)COc1ccccc1C(=O)OCc1ccc(-c2nnn[n-]2)cc1F ZINC000735844953 598563038 /nfs/dbraw/zinc/56/30/38/598563038.db2.gz RMEYIPNQXREWKI-UHFFFAOYSA-N -1 3 370.384 3.398 20 0 FGADHM CC(C)COc1ccccc1C(=O)OCc1ccc(-c2nn[n-]n2)cc1F ZINC000735844953 598563041 /nfs/dbraw/zinc/56/30/41/598563041.db2.gz RMEYIPNQXREWKI-UHFFFAOYSA-N -1 3 370.384 3.398 20 0 FGADHM CSCCNC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737182801 598565846 /nfs/dbraw/zinc/56/58/46/598565846.db2.gz UQTZOHKWLDTPNY-UHFFFAOYSA-N -1 3 370.438 3.144 20 0 FGADHM CSCCNC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737182801 598565847 /nfs/dbraw/zinc/56/58/47/598565847.db2.gz UQTZOHKWLDTPNY-UHFFFAOYSA-N -1 3 370.438 3.144 20 0 FGADHM Cc1ccc(NC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)c(C)c1 ZINC000737357245 598570738 /nfs/dbraw/zinc/57/07/38/598570738.db2.gz XBEWXVTXVZTWEW-GOSISDBHSA-N -1 3 362.437 3.091 20 0 FGADHM O=C(Nc1ccccc1-c1nnn[n-]1)c1ccc(Br)c(F)c1 ZINC000738191508 598574054 /nfs/dbraw/zinc/57/40/54/598574054.db2.gz LSGMMWXBFAZYKI-UHFFFAOYSA-N -1 3 362.162 3.021 20 0 FGADHM O=C(Nc1ccccc1-c1nn[n-]n1)c1ccc(Br)c(F)c1 ZINC000738191508 598574055 /nfs/dbraw/zinc/57/40/55/598574055.db2.gz LSGMMWXBFAZYKI-UHFFFAOYSA-N -1 3 362.162 3.021 20 0 FGADHM Cc1ccc(OCCC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c(C)c1 ZINC000737367121 598586505 /nfs/dbraw/zinc/58/65/05/598586505.db2.gz ZPFNDEDSZOCBRS-UHFFFAOYSA-N -1 3 355.373 3.030 20 0 FGADHM Cc1ccc(OCCC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c(C)c1 ZINC000737367121 598586507 /nfs/dbraw/zinc/58/65/07/598586507.db2.gz ZPFNDEDSZOCBRS-UHFFFAOYSA-N -1 3 355.373 3.030 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1cccc(C(F)(F)F)c1 ZINC000738166605 598592930 /nfs/dbraw/zinc/59/29/30/598592930.db2.gz KNDCXDDXEAVREW-UHFFFAOYSA-N -1 3 351.263 3.277 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1cccc(C(F)(F)F)c1 ZINC000738166605 598592931 /nfs/dbraw/zinc/59/29/31/598592931.db2.gz KNDCXDDXEAVREW-UHFFFAOYSA-N -1 3 351.263 3.277 20 0 FGADHM CCc1ccc(C(=O)CCC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000736678124 598598830 /nfs/dbraw/zinc/59/88/30/598598830.db2.gz SYKUGDQZUVLGDX-UHFFFAOYSA-N -1 3 367.384 3.170 20 0 FGADHM CCc1ccc(C(=O)CCC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000736678124 598598832 /nfs/dbraw/zinc/59/88/32/598598832.db2.gz SYKUGDQZUVLGDX-UHFFFAOYSA-N -1 3 367.384 3.170 20 0 FGADHM Cc1ccc(NC(=O)CNc2ccc(F)c(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000737356092 598603860 /nfs/dbraw/zinc/60/38/60/598603860.db2.gz DOANNWNZXBKSKC-UHFFFAOYSA-N -1 3 360.780 3.018 20 0 FGADHM Cc1ccc(NC(=O)CNc2ccc(F)c(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000737356092 598603862 /nfs/dbraw/zinc/60/38/62/598603862.db2.gz DOANNWNZXBKSKC-UHFFFAOYSA-N -1 3 360.780 3.018 20 0 FGADHM O=C(Cc1cccnc1)Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737974406 598617155 /nfs/dbraw/zinc/61/71/55/598617155.db2.gz ABLRHKSFTARZJY-UHFFFAOYSA-N -1 3 357.373 3.077 20 0 FGADHM O=C(Cc1cccnc1)Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737974406 598617157 /nfs/dbraw/zinc/61/71/57/598617157.db2.gz ABLRHKSFTARZJY-UHFFFAOYSA-N -1 3 357.373 3.077 20 0 FGADHM C[C@@H](NC(=O)NC1CC(c2ccccc2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736114010 598617397 /nfs/dbraw/zinc/61/73/97/598617397.db2.gz UDJYEUOPLJUUIM-NLNFPOJYSA-N -1 3 362.437 3.173 20 0 FGADHM C[C@@H](NC(=O)NC1CC(c2ccccc2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736114010 598617399 /nfs/dbraw/zinc/61/73/99/598617399.db2.gz UDJYEUOPLJUUIM-NLNFPOJYSA-N -1 3 362.437 3.173 20 0 FGADHM C[C@@H](CCc1ccccc1)NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000735992320 598630556 /nfs/dbraw/zinc/63/05/56/598630556.db2.gz BUNOIARUZYCGKW-LBPRGKRZSA-N -1 3 354.389 3.149 20 0 FGADHM C[C@@H](CCc1ccccc1)NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000735992320 598630558 /nfs/dbraw/zinc/63/05/58/598630558.db2.gz BUNOIARUZYCGKW-LBPRGKRZSA-N -1 3 354.389 3.149 20 0 FGADHM Fc1ccc(NCc2cccnc2OC2CCCC2)c(-c2nnn[n-]2)c1 ZINC000737656044 598633644 /nfs/dbraw/zinc/63/36/44/598633644.db2.gz GUYPDENHXMSAJA-UHFFFAOYSA-N -1 3 354.389 3.334 20 0 FGADHM Fc1ccc(NCc2cccnc2OC2CCCC2)c(-c2nn[n-]n2)c1 ZINC000737656044 598633645 /nfs/dbraw/zinc/63/36/45/598633645.db2.gz GUYPDENHXMSAJA-UHFFFAOYSA-N -1 3 354.389 3.334 20 0 FGADHM O=C(Nc1ccccc1)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000738192454 598644229 /nfs/dbraw/zinc/64/42/29/598644229.db2.gz QQEYBUUQKFEUIT-UHFFFAOYSA-N -1 3 358.361 3.306 20 0 FGADHM O=C(Nc1ccccc1)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000738192454 598644230 /nfs/dbraw/zinc/64/42/30/598644230.db2.gz QQEYBUUQKFEUIT-UHFFFAOYSA-N -1 3 358.361 3.306 20 0 FGADHM CN(Cc1ccc(Cl)cc1)C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736816923 598648949 /nfs/dbraw/zinc/64/89/49/598648949.db2.gz PEXQWCKNVZSVAP-UHFFFAOYSA-N -1 3 373.869 3.271 20 0 FGADHM CN(Cc1ccc(Cl)cc1)C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736816923 598648951 /nfs/dbraw/zinc/64/89/51/598648951.db2.gz PEXQWCKNVZSVAP-UHFFFAOYSA-N -1 3 373.869 3.271 20 0 FGADHM C[C@H](N(C)C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)C(C)(C)C ZINC000736095163 598649805 /nfs/dbraw/zinc/64/98/05/598649805.db2.gz CCAQPIAIABQKIF-AWEZNQCLSA-N -1 3 359.474 3.309 20 0 FGADHM C[C@H](N(C)C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)C(C)(C)C ZINC000736095163 598649807 /nfs/dbraw/zinc/64/98/07/598649807.db2.gz CCAQPIAIABQKIF-AWEZNQCLSA-N -1 3 359.474 3.309 20 0 FGADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ncoc1C(C)C ZINC000735830554 598650768 /nfs/dbraw/zinc/65/07/68/598650768.db2.gz HUDMXKQSWIPSQH-UHFFFAOYSA-N -1 3 368.441 3.277 20 0 FGADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ncoc1C(C)C ZINC000735830554 598650770 /nfs/dbraw/zinc/65/07/70/598650770.db2.gz HUDMXKQSWIPSQH-UHFFFAOYSA-N -1 3 368.441 3.277 20 0 FGADHM CN(CCCc1ccccc1)C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736798416 598653901 /nfs/dbraw/zinc/65/39/01/598653901.db2.gz ZNWKJEQEUSMYEO-UHFFFAOYSA-N -1 3 367.478 3.050 20 0 FGADHM CN(CCCc1ccccc1)C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736798416 598653902 /nfs/dbraw/zinc/65/39/02/598653902.db2.gz ZNWKJEQEUSMYEO-UHFFFAOYSA-N -1 3 367.478 3.050 20 0 FGADHM COc1ccccc1OCCN(C)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737152508 598654868 /nfs/dbraw/zinc/65/48/68/598654868.db2.gz QKBCBKHYADTLIW-UHFFFAOYSA-N -1 3 359.817 3.044 20 0 FGADHM COc1ccccc1OCCN(C)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737152508 598654870 /nfs/dbraw/zinc/65/48/70/598654870.db2.gz QKBCBKHYADTLIW-UHFFFAOYSA-N -1 3 359.817 3.044 20 0 FGADHM Clc1cc(N2CCCN(c3ccccc3)CC2)ccc1-c1nnn[n-]1 ZINC000737564876 598655050 /nfs/dbraw/zinc/65/50/50/598655050.db2.gz KRWXRJFWLCWGLZ-UHFFFAOYSA-N -1 3 354.845 3.237 20 0 FGADHM Clc1cc(N2CCCN(c3ccccc3)CC2)ccc1-c1nn[n-]n1 ZINC000737564876 598655052 /nfs/dbraw/zinc/65/50/52/598655052.db2.gz KRWXRJFWLCWGLZ-UHFFFAOYSA-N -1 3 354.845 3.237 20 0 FGADHM COc1ccc2cc(C=CC(=O)Nc3ccc(-c4nnn[n-]4)cn3)ccc2c1 ZINC000737118902 598658890 /nfs/dbraw/zinc/65/88/90/598658890.db2.gz JGERJYMOYRQIBN-OQFOIZHKSA-N -1 3 372.388 3.075 20 0 FGADHM COc1ccc2cc(C=CC(=O)Nc3ccc(-c4nn[n-]n4)cn3)ccc2c1 ZINC000737118902 598658891 /nfs/dbraw/zinc/65/88/91/598658891.db2.gz JGERJYMOYRQIBN-OQFOIZHKSA-N -1 3 372.388 3.075 20 0 FGADHM CN(C(=O)c1sccc1-c1nnn[n-]1)[C@@H](c1ccccc1)C(F)(F)F ZINC000736740889 598662317 /nfs/dbraw/zinc/66/23/17/598662317.db2.gz JCBYKQONTSMEDJ-LBPRGKRZSA-N -1 3 367.356 3.304 20 0 FGADHM CN(C(=O)c1sccc1-c1nn[n-]n1)[C@@H](c1ccccc1)C(F)(F)F ZINC000736740889 598662319 /nfs/dbraw/zinc/66/23/19/598662319.db2.gz JCBYKQONTSMEDJ-LBPRGKRZSA-N -1 3 367.356 3.304 20 0 FGADHM O=C(Nc1ccc[nH]c1=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000738199308 598667939 /nfs/dbraw/zinc/66/79/39/598667939.db2.gz WRGFLPDQXYELTQ-UHFFFAOYSA-N -1 3 374.360 3.012 20 0 FGADHM O=C(Nc1ccc[nH]c1=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738199308 598667941 /nfs/dbraw/zinc/66/79/41/598667941.db2.gz WRGFLPDQXYELTQ-UHFFFAOYSA-N -1 3 374.360 3.012 20 0 FGADHM Cc1cccc2[nH]cc(CCNC(=O)C=Cc3ccccc3-c3nnn[n-]3)c21 ZINC000737408328 598671059 /nfs/dbraw/zinc/67/10/59/598671059.db2.gz KFUZZLGSFFMMEM-KTKRTIGZSA-N -1 3 372.432 3.029 20 0 FGADHM Cc1cccc2[nH]cc(CCNC(=O)C=Cc3ccccc3-c3nn[n-]n3)c21 ZINC000737408328 598671061 /nfs/dbraw/zinc/67/10/61/598671061.db2.gz KFUZZLGSFFMMEM-KTKRTIGZSA-N -1 3 372.432 3.029 20 0 FGADHM CC(C)C[C@@H](C)Oc1cc(CNc2ccc(-c3nnn[n-]3)cn2)ccn1 ZINC000735761079 598675174 /nfs/dbraw/zinc/67/51/74/598675174.db2.gz KSNWTOVEAUAFMG-CYBMUJFWSA-N -1 3 353.430 3.082 20 0 FGADHM CC(C)C[C@@H](C)Oc1cc(CNc2ccc(-c3nn[n-]n3)cn2)ccn1 ZINC000735761079 598675176 /nfs/dbraw/zinc/67/51/76/598675176.db2.gz KSNWTOVEAUAFMG-CYBMUJFWSA-N -1 3 353.430 3.082 20 0 FGADHM CC[C@H]1CCCN(C(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)C1 ZINC000736399637 598683436 /nfs/dbraw/zinc/68/34/36/598683436.db2.gz JJUKKABMHQQNFT-HNNXBMFYSA-N -1 3 357.458 3.064 20 0 FGADHM CC[C@H]1CCCN(C(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)C1 ZINC000736399637 598683438 /nfs/dbraw/zinc/68/34/38/598683438.db2.gz JJUKKABMHQQNFT-HNNXBMFYSA-N -1 3 357.458 3.064 20 0 FGADHM FC(F)Oc1ccccc1OCCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000737638597 598700807 /nfs/dbraw/zinc/70/08/07/598700807.db2.gz GEYAPKYACBGUOK-UHFFFAOYSA-N -1 3 362.336 3.316 20 0 FGADHM CCCc1nc(C)c(C(=O)OCc2ccc(F)cc2-c2nnn[n-]2)s1 ZINC000736494708 598707564 /nfs/dbraw/zinc/70/75/64/598707564.db2.gz DWCRGZLPJSSZDJ-UHFFFAOYSA-N -1 3 361.402 3.080 20 0 FGADHM CCCc1nc(C)c(C(=O)OCc2ccc(F)cc2-c2nn[n-]n2)s1 ZINC000736494708 598707566 /nfs/dbraw/zinc/70/75/66/598707566.db2.gz DWCRGZLPJSSZDJ-UHFFFAOYSA-N -1 3 361.402 3.080 20 0 FGADHM CC(C)Oc1ccccc1CC(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000735912744 598710187 /nfs/dbraw/zinc/71/01/87/598710187.db2.gz CDOLNIOIHCRHRV-UHFFFAOYSA-N -1 3 370.384 3.079 20 0 FGADHM CC(C)Oc1ccccc1CC(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000735912744 598710188 /nfs/dbraw/zinc/71/01/88/598710188.db2.gz CDOLNIOIHCRHRV-UHFFFAOYSA-N -1 3 370.384 3.079 20 0 FGADHM COc1ccc(C)cc1COC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000737077162 598715267 /nfs/dbraw/zinc/71/52/67/598715267.db2.gz OAZSCMMUJXDZDW-UHFFFAOYSA-N -1 3 370.434 3.019 20 0 FGADHM COc1ccc(C)cc1COC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000737077162 598715268 /nfs/dbraw/zinc/71/52/68/598715268.db2.gz OAZSCMMUJXDZDW-UHFFFAOYSA-N -1 3 370.434 3.019 20 0 FGADHM CC[C@@H](Sc1ccccc1)C(=O)N(C)c1cccc(-c2nnn[n-]2)c1 ZINC000736389026 598721951 /nfs/dbraw/zinc/72/19/51/598721951.db2.gz ASKKAQPRQSUPMV-MRXNPFEDSA-N -1 3 353.451 3.400 20 0 FGADHM CC[C@@H](Sc1ccccc1)C(=O)N(C)c1cccc(-c2nn[n-]n2)c1 ZINC000736389026 598721953 /nfs/dbraw/zinc/72/19/53/598721953.db2.gz ASKKAQPRQSUPMV-MRXNPFEDSA-N -1 3 353.451 3.400 20 0 FGADHM CC(=CC(=O)OCCOc1cccc(-c2nnn[n-]2)c1)c1cccc(F)c1 ZINC000735446624 598724043 /nfs/dbraw/zinc/72/40/43/598724043.db2.gz CFOOELCNNRFFIW-JLHYYAGUSA-N -1 3 368.368 3.031 20 0 FGADHM CC(=CC(=O)OCCOc1cccc(-c2nn[n-]n2)c1)c1cccc(F)c1 ZINC000735446624 598724046 /nfs/dbraw/zinc/72/40/46/598724046.db2.gz CFOOELCNNRFFIW-JLHYYAGUSA-N -1 3 368.368 3.031 20 0 FGADHM O=C(C[C@H]1CCc2ccccc2C1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737818631 598742304 /nfs/dbraw/zinc/74/23/04/598742304.db2.gz JACJULKCBYAGNW-LBPRGKRZSA-N -1 3 351.385 3.140 20 0 FGADHM O=C(C[C@H]1CCc2ccccc2C1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737818631 598742305 /nfs/dbraw/zinc/74/23/05/598742305.db2.gz JACJULKCBYAGNW-LBPRGKRZSA-N -1 3 351.385 3.140 20 0 FGADHM CC(C)(C)CCCC(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735603737 598745531 /nfs/dbraw/zinc/74/55/31/598745531.db2.gz OUWGPUROQLLVCW-UHFFFAOYSA-N -1 3 371.485 3.453 20 0 FGADHM O=C(CCC1CCCC1)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737823526 598747356 /nfs/dbraw/zinc/74/73/56/598747356.db2.gz IHYUKEFOPKOCNL-UHFFFAOYSA-N -1 3 369.469 3.207 20 0 FGADHM O=C(C[C@@H]1CCc2ccccc2C1)OCc1cc(-c2nnn[n-]2)ccc1F ZINC000737820423 598750679 /nfs/dbraw/zinc/75/06/79/598750679.db2.gz RLVYQAMDOWVUDQ-CYBMUJFWSA-N -1 3 366.396 3.244 20 0 FGADHM O=C(C[C@@H]1CCc2ccccc2C1)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000737820423 598750681 /nfs/dbraw/zinc/75/06/81/598750681.db2.gz RLVYQAMDOWVUDQ-CYBMUJFWSA-N -1 3 366.396 3.244 20 0 FGADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)NC1(c2ccc(Cl)cc2)CC1 ZINC000737854398 598755595 /nfs/dbraw/zinc/75/55/95/598755595.db2.gz ZPZUEXNTEHHZIX-UHFFFAOYSA-N -1 3 367.840 3.258 20 0 FGADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)NC1(c2ccc(Cl)cc2)CC1 ZINC000737854398 598755597 /nfs/dbraw/zinc/75/55/97/598755597.db2.gz ZPZUEXNTEHHZIX-UHFFFAOYSA-N -1 3 367.840 3.258 20 0 FGADHM Fc1cc(F)c2ncc(-c3nnn[n-]3)c(NCc3ccc(Cl)nc3)c2c1 ZINC000737649206 598772171 /nfs/dbraw/zinc/77/21/71/598772171.db2.gz DKLYDEXAERLYFP-UHFFFAOYSA-N -1 3 373.754 3.354 20 0 FGADHM Fc1cc(F)c2ncc(-c3nn[n-]n3)c(NCc3ccc(Cl)nc3)c2c1 ZINC000737649206 598772173 /nfs/dbraw/zinc/77/21/73/598772173.db2.gz DKLYDEXAERLYFP-UHFFFAOYSA-N -1 3 373.754 3.354 20 0 FGADHM Fc1cc(OCc2ccc(-c3nnn[n-]3)cc2F)ccc1Br ZINC000737648832 598775859 /nfs/dbraw/zinc/77/58/59/598775859.db2.gz CAVVHPBCVJKUTA-UHFFFAOYSA-N -1 3 367.153 3.486 20 0 FGADHM Fc1cc(OCc2ccc(-c3nn[n-]n3)cc2F)ccc1Br ZINC000737648832 598775860 /nfs/dbraw/zinc/77/58/60/598775860.db2.gz CAVVHPBCVJKUTA-UHFFFAOYSA-N -1 3 367.153 3.486 20 0 FGADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCC2)[C@H]1CCc2ccccc21 ZINC000738206088 598789356 /nfs/dbraw/zinc/78/93/56/598789356.db2.gz BOMAAFRNNMVRHR-ZDUSSCGKSA-N -1 3 365.462 3.476 20 0 FGADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCC2)[C@H]1CCc2ccccc21 ZINC000738206088 598789357 /nfs/dbraw/zinc/78/93/57/598789357.db2.gz BOMAAFRNNMVRHR-ZDUSSCGKSA-N -1 3 365.462 3.476 20 0 FGADHM O=C(Nc1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1)C1CCSCC1 ZINC000738212573 598790733 /nfs/dbraw/zinc/79/07/33/598790733.db2.gz RPFCNZMVYTYRDR-UHFFFAOYSA-N -1 3 372.479 3.072 20 0 FGADHM O=C(Nc1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1)C1CCSCC1 ZINC000738212573 598790735 /nfs/dbraw/zinc/79/07/35/598790735.db2.gz RPFCNZMVYTYRDR-UHFFFAOYSA-N -1 3 372.479 3.072 20 0 FGADHM C[C@H](CCNc1ccc(Cl)cc1-c1nnn[n-]1)NC(=O)OC(C)(C)C ZINC000735987416 598795431 /nfs/dbraw/zinc/79/54/31/598795431.db2.gz UXRIXLWUMRLMCZ-SNVBAGLBSA-N -1 3 366.853 3.235 20 0 FGADHM C[C@H](CCNc1ccc(Cl)cc1-c1nn[n-]n1)NC(=O)OC(C)(C)C ZINC000735987416 598795432 /nfs/dbraw/zinc/79/54/32/598795432.db2.gz UXRIXLWUMRLMCZ-SNVBAGLBSA-N -1 3 366.853 3.235 20 0 FGADHM O=C(O[C@@H]1CCSC1)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000738220795 598799726 /nfs/dbraw/zinc/79/97/26/598799726.db2.gz UWJJTJAYDITTDD-GFCCVEGCSA-N -1 3 352.419 3.196 20 0 FGADHM O=C(O[C@@H]1CCSC1)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000738220795 598799727 /nfs/dbraw/zinc/79/97/27/598799727.db2.gz UWJJTJAYDITTDD-GFCCVEGCSA-N -1 3 352.419 3.196 20 0 FGADHM COc1ccccc1CC(C)(C)C(=O)OCc1cccc(-c2nnn[n-]2)c1 ZINC000737154052 598800727 /nfs/dbraw/zinc/80/07/27/598800727.db2.gz XLTYWFJOYBLNSD-UHFFFAOYSA-N -1 3 366.421 3.187 20 0 FGADHM COc1ccccc1CC(C)(C)C(=O)OCc1cccc(-c2nn[n-]n2)c1 ZINC000737154052 598800728 /nfs/dbraw/zinc/80/07/28/598800728.db2.gz XLTYWFJOYBLNSD-UHFFFAOYSA-N -1 3 366.421 3.187 20 0 FGADHM CCc1c(C)sc(NC(=O)CO[C@@H]2CCCC[C@@H]2C)c1-c1nnn[n-]1 ZINC000736670405 598805492 /nfs/dbraw/zinc/80/54/92/598805492.db2.gz OXLGDOUTFWZADB-GXFFZTMASA-N -1 3 363.487 3.333 20 0 FGADHM CCc1c(C)sc(NC(=O)CO[C@@H]2CCCC[C@@H]2C)c1-c1nn[n-]n1 ZINC000736670405 598805494 /nfs/dbraw/zinc/80/54/94/598805494.db2.gz OXLGDOUTFWZADB-GXFFZTMASA-N -1 3 363.487 3.333 20 0 FGADHM CCN(C(=O)CCCc1ccccn1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736505332 598808093 /nfs/dbraw/zinc/80/80/93/598808093.db2.gz LWHACDOBGXSNHC-OAHLLOKOSA-N -1 3 364.453 3.194 20 0 FGADHM CCN(C(=O)CCCc1ccccn1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736505332 598808094 /nfs/dbraw/zinc/80/80/94/598808094.db2.gz LWHACDOBGXSNHC-OAHLLOKOSA-N -1 3 364.453 3.194 20 0 FGADHM O=C(NCC1CC1)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000823176066 599298474 /nfs/dbraw/zinc/29/84/74/599298474.db2.gz PNDNMIFADXPYRG-UHFFFAOYSA-N -1 3 368.372 3.330 20 0 FGADHM O=C(NCC1CC1)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000823176066 599298476 /nfs/dbraw/zinc/29/84/76/599298476.db2.gz PNDNMIFADXPYRG-UHFFFAOYSA-N -1 3 368.372 3.330 20 0 FGADHM C[C@H](SCc1ccccc1)C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736191223 599304147 /nfs/dbraw/zinc/30/41/47/599304147.db2.gz HLEUINHEBOYWBJ-ZDUSSCGKSA-N -1 3 353.451 3.151 20 0 FGADHM C[C@H](SCc1ccccc1)C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736191223 599304151 /nfs/dbraw/zinc/30/41/51/599304151.db2.gz HLEUINHEBOYWBJ-ZDUSSCGKSA-N -1 3 353.451 3.151 20 0 FGADHM Oc1ccc(CCCNc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)cc1 ZINC000738397089 599306409 /nfs/dbraw/zinc/30/64/09/599306409.db2.gz NHPNXPLCXANUAC-UHFFFAOYSA-N -1 3 364.331 3.031 20 0 FGADHM Oc1ccc(CCCNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)cc1 ZINC000738397089 599306412 /nfs/dbraw/zinc/30/64/12/599306412.db2.gz NHPNXPLCXANUAC-UHFFFAOYSA-N -1 3 364.331 3.031 20 0 FGADHM CC(C)c1cc(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)nn1C(C)(C)C ZINC000735921033 599307877 /nfs/dbraw/zinc/30/78/77/599307877.db2.gz GHRFVWHLYNOGOL-UHFFFAOYSA-N -1 3 367.457 3.218 20 0 FGADHM CC(C)c1cc(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)nn1C(C)(C)C ZINC000735921033 599307880 /nfs/dbraw/zinc/30/78/80/599307880.db2.gz GHRFVWHLYNOGOL-UHFFFAOYSA-N -1 3 367.457 3.218 20 0 FGADHM CCN(C(=O)[C@@H](C)Oc1cccc(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736501857 599309188 /nfs/dbraw/zinc/30/91/88/599309188.db2.gz HJLHQYVVCJYLKU-GFCCVEGCSA-N -1 3 371.828 3.341 20 0 FGADHM CCN(C(=O)[C@@H](C)Oc1cccc(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736501857 599309191 /nfs/dbraw/zinc/30/91/91/599309191.db2.gz HJLHQYVVCJYLKU-GFCCVEGCSA-N -1 3 371.828 3.341 20 0 FGADHM Fc1cccc(N2CCCC2)c1NCCOc1cccc(-c2nnn[n-]2)c1 ZINC000737661202 599331134 /nfs/dbraw/zinc/33/11/34/599331134.db2.gz NPWIVPOFEURFNK-UHFFFAOYSA-N -1 3 368.416 3.097 20 0 FGADHM Fc1cccc(N2CCCC2)c1NCCOc1cccc(-c2nn[n-]n2)c1 ZINC000737661202 599331137 /nfs/dbraw/zinc/33/11/37/599331137.db2.gz NPWIVPOFEURFNK-UHFFFAOYSA-N -1 3 368.416 3.097 20 0 FGADHM CC(C)n1cc2cc(NC(=O)C=Cc3ccccc3-c3nnn[n-]3)ccc2n1 ZINC000735959753 599343285 /nfs/dbraw/zinc/34/32/85/599343285.db2.gz BKLNGYIBHLZIBK-YFHOEESVSA-N -1 3 373.420 3.449 20 0 FGADHM CC(C)n1cc2cc(NC(=O)C=Cc3ccccc3-c3nn[n-]n3)ccc2n1 ZINC000735959753 599343289 /nfs/dbraw/zinc/34/32/89/599343289.db2.gz BKLNGYIBHLZIBK-YFHOEESVSA-N -1 3 373.420 3.449 20 0 FGADHM O=C(CSc1ccccc1-c1nnn[n-]1)N1CCSc2ccccc21 ZINC000823070659 599347910 /nfs/dbraw/zinc/34/79/10/599347910.db2.gz JKKYJVQHEWHFDC-UHFFFAOYSA-N -1 3 369.475 3.098 20 0 FGADHM O=C(CSc1ccccc1-c1nn[n-]n1)N1CCSc2ccccc21 ZINC000823070659 599347912 /nfs/dbraw/zinc/34/79/12/599347912.db2.gz JKKYJVQHEWHFDC-UHFFFAOYSA-N -1 3 369.475 3.098 20 0 FGADHM Cc1nc(NC(=O)[C@@H](C)Sc2ccccc2-c2nnn[n-]2)sc1C ZINC000822449759 599347959 /nfs/dbraw/zinc/34/79/59/599347959.db2.gz NQNKPSYTDDQORD-SNVBAGLBSA-N -1 3 360.468 3.059 20 0 FGADHM Cc1nc(NC(=O)[C@@H](C)Sc2ccccc2-c2nn[n-]n2)sc1C ZINC000822449759 599347961 /nfs/dbraw/zinc/34/79/61/599347961.db2.gz NQNKPSYTDDQORD-SNVBAGLBSA-N -1 3 360.468 3.059 20 0 FGADHM CC[C@H](Sc1ccccc1-c1nnn[n-]1)C(=O)Nc1ccc(OC)cc1 ZINC000820939066 599350214 /nfs/dbraw/zinc/35/02/14/599350214.db2.gz PTIJCKQZBOWTGM-HNNXBMFYSA-N -1 3 369.450 3.385 20 0 FGADHM CC[C@H](Sc1ccccc1-c1nn[n-]n1)C(=O)Nc1ccc(OC)cc1 ZINC000820939066 599350216 /nfs/dbraw/zinc/35/02/16/599350216.db2.gz PTIJCKQZBOWTGM-HNNXBMFYSA-N -1 3 369.450 3.385 20 0 FGADHM C[C@H](Nc1ccc(NC(=O)NC2CC2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820454996 599364931 /nfs/dbraw/zinc/36/49/31/599364931.db2.gz APGUSQUGJBFINN-LBPRGKRZSA-N -1 3 363.425 3.324 20 0 FGADHM C[C@H](Nc1ccc(NC(=O)NC2CC2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820454996 599364934 /nfs/dbraw/zinc/36/49/34/599364934.db2.gz APGUSQUGJBFINN-LBPRGKRZSA-N -1 3 363.425 3.324 20 0 FGADHM C[C@H](NCc1coc(-c2cccs2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820438269 599365043 /nfs/dbraw/zinc/36/50/43/599365043.db2.gz LUKCJSFXTNRAKH-NSHDSACASA-N -1 3 352.423 3.434 20 0 FGADHM Cc1c(Cl)cccc1OCC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737215315 599372742 /nfs/dbraw/zinc/37/27/42/599372742.db2.gz HAXSYSDQXTZNHU-GFCCVEGCSA-N -1 3 371.828 3.085 20 0 FGADHM Cc1c(Cl)cccc1OCC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737215315 599372744 /nfs/dbraw/zinc/37/27/44/599372744.db2.gz HAXSYSDQXTZNHU-GFCCVEGCSA-N -1 3 371.828 3.085 20 0 FGADHM C[C@@H]1CC[C@H](OC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)[C@H](C)C1 ZINC000736243948 599375453 /nfs/dbraw/zinc/37/54/53/599375453.db2.gz BKNGHCFWYLLBSX-IOASZLSFSA-N -1 3 360.483 3.468 20 0 FGADHM C[C@@H]1CC[C@H](OC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)[C@H](C)C1 ZINC000736243948 599375456 /nfs/dbraw/zinc/37/54/56/599375456.db2.gz BKNGHCFWYLLBSX-IOASZLSFSA-N -1 3 360.483 3.468 20 0 FGADHM CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736962855 599378777 /nfs/dbraw/zinc/37/87/77/599378777.db2.gz QRUIWLKCORGKEV-ZBEGNZNMSA-N -1 3 371.828 3.026 20 0 FGADHM CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736962855 599378783 /nfs/dbraw/zinc/37/87/83/599378783.db2.gz QRUIWLKCORGKEV-ZBEGNZNMSA-N -1 3 371.828 3.026 20 0 FGADHM Cc1cc(-c2nn[n-]n2)cc(C)c1OCc1ccn(-c2cccc(F)c2)n1 ZINC000822137042 599389616 /nfs/dbraw/zinc/38/96/16/599389616.db2.gz UIPHVIPLATWOOA-UHFFFAOYSA-N -1 3 364.384 3.387 20 0 FGADHM CN(Cc1ccc(F)c(F)c1)c1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000736816505 599401629 /nfs/dbraw/zinc/40/16/29/599401629.db2.gz KILJOPVXTACEEY-UHFFFAOYSA-N -1 3 352.348 3.330 20 0 FGADHM CN(Cc1ccc(F)c(F)c1)c1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000736816505 599401632 /nfs/dbraw/zinc/40/16/32/599401632.db2.gz KILJOPVXTACEEY-UHFFFAOYSA-N -1 3 352.348 3.330 20 0 FGADHM Cc1cccc(NC(=O)CNc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)c1 ZINC000822323492 607373711 /nfs/dbraw/zinc/37/37/11/607373711.db2.gz IJIAPECSFWSBSL-UHFFFAOYSA-N -1 3 366.425 3.013 20 0 FGADHM Cc1cccc(NC(=O)CNc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)c1 ZINC000822323492 607373713 /nfs/dbraw/zinc/37/37/13/607373713.db2.gz IJIAPECSFWSBSL-UHFFFAOYSA-N -1 3 366.425 3.013 20 0 FGADHM C[C@H](CNC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)Cc1cccs1 ZINC000820261759 599447046 /nfs/dbraw/zinc/44/70/46/599447046.db2.gz PRBYWDBUUWYONT-STQMWFEESA-N -1 3 370.482 3.167 20 0 FGADHM C[C@H](CNC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)Cc1cccs1 ZINC000820261759 599447047 /nfs/dbraw/zinc/44/70/47/599447047.db2.gz PRBYWDBUUWYONT-STQMWFEESA-N -1 3 370.482 3.167 20 0 FGADHM C[C@@H](CCC(C)(C)C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735987470 599448368 /nfs/dbraw/zinc/44/83/68/599448368.db2.gz ZKISSPSTSCUSAL-JTQLQIEISA-N -1 3 371.894 3.013 20 0 FGADHM C[C@@H](CCC(C)(C)C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735987470 599448370 /nfs/dbraw/zinc/44/83/70/599448370.db2.gz ZKISSPSTSCUSAL-JTQLQIEISA-N -1 3 371.894 3.013 20 0 FGADHM CSCC[C@@H](C)N(C)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000737178181 599454141 /nfs/dbraw/zinc/45/41/41/599454141.db2.gz YAQHFKFQYSBKRJ-LLVKDONJSA-N -1 3 365.507 3.029 20 0 FGADHM CSCC[C@@H](C)N(C)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000737178181 599454142 /nfs/dbraw/zinc/45/41/42/599454142.db2.gz YAQHFKFQYSBKRJ-LLVKDONJSA-N -1 3 365.507 3.029 20 0 FGADHM Cc1ccc([C@@H](C)N(C)C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000822228914 599461566 /nfs/dbraw/zinc/46/15/66/599461566.db2.gz ISGAJYQBAPJJFW-CYBMUJFWSA-N -1 3 368.416 3.217 20 0 FGADHM Cc1ccc([C@@H](C)N(C)C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000822228914 599461568 /nfs/dbraw/zinc/46/15/68/599461568.db2.gz ISGAJYQBAPJJFW-CYBMUJFWSA-N -1 3 368.416 3.217 20 0 FGADHM COc1cc(CNc2ccc(F)cc2-c2nnn[n-]2)ccc1OC(C)C ZINC000821717721 599471708 /nfs/dbraw/zinc/47/17/08/599471708.db2.gz WEDWAKZXIHRIPB-UHFFFAOYSA-N -1 3 357.389 3.414 20 0 FGADHM COc1cc(CNc2ccc(F)cc2-c2nn[n-]n2)ccc1OC(C)C ZINC000821717721 599471710 /nfs/dbraw/zinc/47/17/10/599471710.db2.gz WEDWAKZXIHRIPB-UHFFFAOYSA-N -1 3 357.389 3.414 20 0 FGADHM C[C@@H](C[C@H](O)c1ccccc1)Nc1nc2ccccc2cc1-c1nnn[n-]1 ZINC000820231635 607381259 /nfs/dbraw/zinc/38/12/59/607381259.db2.gz CLVXOYSCGSVJMO-UGSOOPFHSA-N -1 3 360.421 3.339 20 0 FGADHM C[C@@H](C[C@H](O)c1ccccc1)Nc1nc2ccccc2cc1-c1nn[n-]n1 ZINC000820231635 607381261 /nfs/dbraw/zinc/38/12/61/607381261.db2.gz CLVXOYSCGSVJMO-UGSOOPFHSA-N -1 3 360.421 3.339 20 0 FGADHM C[C@H](NC(=O)N1Cc2ccccc2C[C@@H]1C)c1cccc(-c2nnn[n-]2)c1 ZINC000820351497 599485966 /nfs/dbraw/zinc/48/59/66/599485966.db2.gz PWKPMFQXZMLFHC-KBPBESRZSA-N -1 3 362.437 3.084 20 0 FGADHM C[C@H](NC(=O)N1Cc2ccccc2C[C@@H]1C)c1cccc(-c2nn[n-]n2)c1 ZINC000820351497 599485967 /nfs/dbraw/zinc/48/59/67/599485967.db2.gz PWKPMFQXZMLFHC-KBPBESRZSA-N -1 3 362.437 3.084 20 0 FGADHM C[C@@H](Nc1c(-c2nnn[n-]2)cnc2ccccc21)c1c(F)cccc1F ZINC000820451284 599487439 /nfs/dbraw/zinc/48/74/39/599487439.db2.gz UPKXKXGCGWGRRK-SNVBAGLBSA-N -1 3 352.348 3.288 20 0 FGADHM C[C@@H](Nc1c(-c2nn[n-]n2)cnc2ccccc21)c1c(F)cccc1F ZINC000820451284 599487442 /nfs/dbraw/zinc/48/74/42/599487442.db2.gz UPKXKXGCGWGRRK-SNVBAGLBSA-N -1 3 352.348 3.288 20 0 FGADHM COc1ccccc1OCCN(C)c1c(Cl)cccc1-c1nnn[n-]1 ZINC000821904259 599488457 /nfs/dbraw/zinc/48/84/57/599488457.db2.gz UHESNJSHTAKCJV-UHFFFAOYSA-N -1 3 359.817 3.044 20 0 FGADHM COc1ccccc1OCCN(C)c1c(Cl)cccc1-c1nn[n-]n1 ZINC000821904259 599488458 /nfs/dbraw/zinc/48/84/58/599488458.db2.gz UHESNJSHTAKCJV-UHFFFAOYSA-N -1 3 359.817 3.044 20 0 FGADHM C[C@H](Cc1ccsc1)Nc1c(-c2nnn[n-]2)cnc2c(F)ccc(F)c21 ZINC000820306673 599489549 /nfs/dbraw/zinc/48/95/49/599489549.db2.gz BRACAJFUFUNOAY-SECBINFHSA-N -1 3 372.404 3.220 20 0 FGADHM C[C@H](Cc1ccsc1)Nc1c(-c2nn[n-]n2)cnc2c(F)ccc(F)c21 ZINC000820306673 599489551 /nfs/dbraw/zinc/48/95/51/599489551.db2.gz BRACAJFUFUNOAY-SECBINFHSA-N -1 3 372.404 3.220 20 0 FGADHM C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000736234157 599492758 /nfs/dbraw/zinc/49/27/58/599492758.db2.gz IGFIFWGXJKNYFK-SWLSCSKDSA-N -1 3 366.400 3.416 20 0 FGADHM C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000736234157 599492761 /nfs/dbraw/zinc/49/27/61/599492761.db2.gz IGFIFWGXJKNYFK-SWLSCSKDSA-N -1 3 366.400 3.416 20 0 FGADHM COc1cc(CN(C)c2c(Cl)cccc2-c2nnn[n-]2)cc(OC)c1 ZINC000821716882 599492899 /nfs/dbraw/zinc/49/28/99/599492899.db2.gz FXKKRQXDFCEIAD-UHFFFAOYSA-N -1 3 359.817 3.174 20 0 FGADHM COc1cc(CN(C)c2c(Cl)cccc2-c2nn[n-]n2)cc(OC)c1 ZINC000821716882 599492901 /nfs/dbraw/zinc/49/29/01/599492901.db2.gz FXKKRQXDFCEIAD-UHFFFAOYSA-N -1 3 359.817 3.174 20 0 FGADHM O=C(Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1)[C@@H]1CCCS1 ZINC000823443453 599495844 /nfs/dbraw/zinc/49/58/44/599495844.db2.gz CWUWUOVRPFAORH-INIZCTEOSA-N -1 3 352.419 3.335 20 0 FGADHM O=C(Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1)[C@@H]1CCCS1 ZINC000823443453 599495845 /nfs/dbraw/zinc/49/58/45/599495845.db2.gz CWUWUOVRPFAORH-INIZCTEOSA-N -1 3 352.419 3.335 20 0 FGADHM Cc1ccc(OCCC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c(C)c1 ZINC000822263453 599500676 /nfs/dbraw/zinc/50/06/76/599500676.db2.gz PDJRTJSCBPHGQF-HNNXBMFYSA-N -1 3 365.437 3.130 20 0 FGADHM Cc1ccc(OCCC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c(C)c1 ZINC000822263453 599500679 /nfs/dbraw/zinc/50/06/79/599500679.db2.gz PDJRTJSCBPHGQF-HNNXBMFYSA-N -1 3 365.437 3.130 20 0 FGADHM Cc1ccc(C)c(SCC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000822231709 599503489 /nfs/dbraw/zinc/50/34/89/599503489.db2.gz DXNGJTSBYBPLPK-AWEZNQCLSA-N -1 3 367.478 3.453 20 0 FGADHM Cc1ccc(C)c(SCC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000822231709 599503491 /nfs/dbraw/zinc/50/34/91/599503491.db2.gz DXNGJTSBYBPLPK-AWEZNQCLSA-N -1 3 367.478 3.453 20 0 FGADHM C[C@H](Oc1cccc(Cl)c1)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820533590 599504267 /nfs/dbraw/zinc/50/42/67/599504267.db2.gz GMVZSSSPMNFFCJ-RYUDHWBXSA-N -1 3 371.828 3.165 20 0 FGADHM C[C@H](Oc1cccc(Cl)c1)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820533590 599504269 /nfs/dbraw/zinc/50/42/69/599504269.db2.gz GMVZSSSPMNFFCJ-RYUDHWBXSA-N -1 3 371.828 3.165 20 0 FGADHM Cc1cccc(C(C)(C)NC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000737386020 599504796 /nfs/dbraw/zinc/50/47/96/599504796.db2.gz VGBBTXORJYHVPO-UHFFFAOYSA-N -1 3 368.416 3.049 20 0 FGADHM Cc1cccc(C(C)(C)NC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000737386020 599504798 /nfs/dbraw/zinc/50/47/98/599504798.db2.gz VGBBTXORJYHVPO-UHFFFAOYSA-N -1 3 368.416 3.049 20 0 FGADHM C[C@H](NC(=O)[C@H]1C[C@H]1c1cc(F)ccc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000820321012 599505875 /nfs/dbraw/zinc/50/58/75/599505875.db2.gz ATKZZYWFOBQNEJ-FSBGKCOPSA-N -1 3 369.375 3.126 20 0 FGADHM C[C@H](NC(=O)[C@H]1C[C@H]1c1cc(F)ccc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000820321012 599505876 /nfs/dbraw/zinc/50/58/76/599505876.db2.gz ATKZZYWFOBQNEJ-FSBGKCOPSA-N -1 3 369.375 3.126 20 0 FGADHM C[C@H](NC(=O)CCCOc1cccc(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820322972 599509028 /nfs/dbraw/zinc/50/90/28/599509028.db2.gz VITZRDUKHDBEPO-ZDUSSCGKSA-N -1 3 369.400 3.042 20 0 FGADHM C[C@H](NC(=O)CCCOc1cccc(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820322972 599509031 /nfs/dbraw/zinc/50/90/31/599509031.db2.gz VITZRDUKHDBEPO-ZDUSSCGKSA-N -1 3 369.400 3.042 20 0 FGADHM CC(C)(C)c1cn2c(n1)CC[C@@H](Nc1c(F)cc(-c3nn[n-]n3)cc1F)C2 ZINC000819957509 599510513 /nfs/dbraw/zinc/51/05/13/599510513.db2.gz AMZYZMVTMAVBCD-LLVKDONJSA-N -1 3 373.411 3.066 20 0 FGADHM C[C@@H](CCNc1c(Cl)cccc1-c1nnn[n-]1)NC(=O)OC(C)(C)C ZINC000820240543 599510957 /nfs/dbraw/zinc/51/09/57/599510957.db2.gz CIEIESBEZWVQHW-JTQLQIEISA-N -1 3 366.853 3.235 20 0 FGADHM C[C@@H](CCNc1c(Cl)cccc1-c1nn[n-]n1)NC(=O)OC(C)(C)C ZINC000820240543 599510958 /nfs/dbraw/zinc/51/09/58/599510958.db2.gz CIEIESBEZWVQHW-JTQLQIEISA-N -1 3 366.853 3.235 20 0 FGADHM C[C@H](NC(=O)CCc1ccc(Cl)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820327604 599511562 /nfs/dbraw/zinc/51/15/62/599511562.db2.gz HROUIZLMEIZZIL-LBPRGKRZSA-N -1 3 355.829 3.330 20 0 FGADHM C[C@H](NC(=O)CCc1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820327604 599511563 /nfs/dbraw/zinc/51/15/63/599511563.db2.gz HROUIZLMEIZZIL-LBPRGKRZSA-N -1 3 355.829 3.330 20 0 FGADHM C[C@H](CC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC000820220108 599518372 /nfs/dbraw/zinc/51/83/72/599518372.db2.gz NNFMVFWZSXZUMT-OLZOCXBDSA-N -1 3 353.401 3.377 20 0 FGADHM C[C@H](CC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC000820220108 599518378 /nfs/dbraw/zinc/51/83/78/599518378.db2.gz NNFMVFWZSXZUMT-OLZOCXBDSA-N -1 3 353.401 3.377 20 0 FGADHM Cc1ccn2cc(CNc3ccc(-c4nn[n-]n4)cc3C(F)(F)F)nc2c1 ZINC000737435504 599520775 /nfs/dbraw/zinc/52/07/75/599520775.db2.gz FVIICUDXCHMBTN-UHFFFAOYSA-N -1 3 373.342 3.454 20 0 FGADHM CC(=O)Nc1ccc(CCNc2c(Cl)cccc2-c2nnn[n-]2)cc1 ZINC000819817335 599525149 /nfs/dbraw/zinc/52/51/49/599525149.db2.gz AWYREEXCAMARGU-UHFFFAOYSA-N -1 3 356.817 3.133 20 0 FGADHM CC(=O)Nc1ccc(CCNc2c(Cl)cccc2-c2nn[n-]n2)cc1 ZINC000819817335 599525152 /nfs/dbraw/zinc/52/51/52/599525152.db2.gz AWYREEXCAMARGU-UHFFFAOYSA-N -1 3 356.817 3.133 20 0 FGADHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(N3CCC[C@H]3c3cnn(C)c3)c2c1 ZINC000822195076 599526545 /nfs/dbraw/zinc/52/65/45/599526545.db2.gz GJSBOCDIRBHGQL-KRWDZBQOSA-N -1 3 374.452 3.107 20 0 FGADHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(N3CCC[C@H]3c3cnn(C)c3)c2c1 ZINC000822195076 599526546 /nfs/dbraw/zinc/52/65/46/599526546.db2.gz GJSBOCDIRBHGQL-KRWDZBQOSA-N -1 3 374.452 3.107 20 0 FGADHM C[C@@H](NC(=O)c1ccc(Br)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820397921 599534477 /nfs/dbraw/zinc/53/44/77/599534477.db2.gz XBGMYJMYOHJMNW-SNVBAGLBSA-N -1 3 372.226 3.120 20 0 FGADHM C[C@@H](NC(=O)c1ccc(Br)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820397921 599534479 /nfs/dbraw/zinc/53/44/79/599534479.db2.gz XBGMYJMYOHJMNW-SNVBAGLBSA-N -1 3 372.226 3.120 20 0 FGADHM C[C@@H](NC(=O)C[C@H]1CCc2ccccc2C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820321197 599537654 /nfs/dbraw/zinc/53/76/54/599537654.db2.gz COCBTTXXPZYOGT-CABCVRRESA-N -1 3 361.449 3.239 20 0 FGADHM C[C@@H](NC(=O)C[C@H]1CCc2ccccc2C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820321197 599537655 /nfs/dbraw/zinc/53/76/55/599537655.db2.gz COCBTTXXPZYOGT-CABCVRRESA-N -1 3 361.449 3.239 20 0 FGADHM C[C@@H](C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)c1ccsc1 ZINC000735552265 599543073 /nfs/dbraw/zinc/54/30/73/599543073.db2.gz WWWVZLBQNJNSCT-MRVPVSSYSA-N -1 3 365.365 3.272 20 0 FGADHM C[C@@H](C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)c1ccsc1 ZINC000735552265 599543075 /nfs/dbraw/zinc/54/30/75/599543075.db2.gz WWWVZLBQNJNSCT-MRVPVSSYSA-N -1 3 365.365 3.272 20 0 FGADHM Cc1ccc(OCCC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1C ZINC000822263572 599543502 /nfs/dbraw/zinc/54/35/02/599543502.db2.gz TZNLQGPGCVFDID-HNNXBMFYSA-N -1 3 365.437 3.130 20 0 FGADHM Cc1ccc(OCCC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1C ZINC000822263572 599543503 /nfs/dbraw/zinc/54/35/03/599543503.db2.gz TZNLQGPGCVFDID-HNNXBMFYSA-N -1 3 365.437 3.130 20 0 FGADHM COc1cc(Cl)ccc1CNc1c(-c2nnn[n-]2)cnc2ccccc21 ZINC000821720602 599544722 /nfs/dbraw/zinc/54/47/22/599544722.db2.gz VZCOHFSMNPWZSL-UHFFFAOYSA-N -1 3 366.812 3.111 20 0 FGADHM COc1cc(Cl)ccc1CNc1c(-c2nn[n-]n2)cnc2ccccc21 ZINC000821720602 599544724 /nfs/dbraw/zinc/54/47/24/599544724.db2.gz VZCOHFSMNPWZSL-UHFFFAOYSA-N -1 3 366.812 3.111 20 0 FGADHM Cc1ccc2c(CC(=O)N[C@H](C)c3cccc(-c4nnn[n-]4)c3)coc2c1 ZINC000822275609 599545134 /nfs/dbraw/zinc/54/51/34/599545134.db2.gz XBVHJIAYOJABLK-CYBMUJFWSA-N -1 3 361.405 3.341 20 0 FGADHM Cc1ccc2c(CC(=O)N[C@H](C)c3cccc(-c4nn[n-]n4)c3)coc2c1 ZINC000822275609 599545136 /nfs/dbraw/zinc/54/51/36/599545136.db2.gz XBVHJIAYOJABLK-CYBMUJFWSA-N -1 3 361.405 3.341 20 0 FGADHM O=C(c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)N1C[C@H]2CCC[C@@H]21 ZINC000738274329 599573870 /nfs/dbraw/zinc/57/38/70/599573870.db2.gz RNWVKVSNFUMGSA-QAPCUYQASA-N -1 3 361.405 3.284 20 0 FGADHM O=C(c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)N1C[C@H]2CCC[C@@H]21 ZINC000738274329 599573873 /nfs/dbraw/zinc/57/38/73/599573873.db2.gz RNWVKVSNFUMGSA-QAPCUYQASA-N -1 3 361.405 3.284 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N[C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000738152059 599600275 /nfs/dbraw/zinc/60/02/75/599600275.db2.gz QPFHIAQPGSDAHQ-AEFFLSMTSA-N -1 3 362.437 3.400 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N[C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000738152059 599600277 /nfs/dbraw/zinc/60/02/77/599600277.db2.gz QPFHIAQPGSDAHQ-AEFFLSMTSA-N -1 3 362.437 3.400 20 0 FGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N[C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000738179344 599600646 /nfs/dbraw/zinc/60/06/46/599600646.db2.gz RMRNBZWTWBWXTA-QAPCUYQASA-N -1 3 362.437 3.400 20 0 FGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N[C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000738179344 599600648 /nfs/dbraw/zinc/60/06/48/599600648.db2.gz RMRNBZWTWBWXTA-QAPCUYQASA-N -1 3 362.437 3.400 20 0 FGADHM CC[C@@H](c1ccncc1)N(C)C(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000736397797 599609543 /nfs/dbraw/zinc/60/95/43/599609543.db2.gz VTYMZWFGISSGCP-INIZCTEOSA-N -1 3 351.414 3.185 20 0 FGADHM CC[C@@H](c1ccncc1)N(C)C(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000736397797 599609545 /nfs/dbraw/zinc/60/95/45/599609545.db2.gz VTYMZWFGISSGCP-INIZCTEOSA-N -1 3 351.414 3.185 20 0 FGADHM CC(C)(C)c1ncc(C=CC(=O)OCc2ccccc2-c2nnn[n-]2)s1 ZINC000819966047 599620516 /nfs/dbraw/zinc/62/05/16/599620516.db2.gz UFARUCTUXCQEIV-CMDGGOBGSA-N -1 3 369.450 3.377 20 0 FGADHM CC(C)(C)c1ncc(C=CC(=O)OCc2ccccc2-c2nn[n-]n2)s1 ZINC000819966047 599620517 /nfs/dbraw/zinc/62/05/17/599620517.db2.gz UFARUCTUXCQEIV-CMDGGOBGSA-N -1 3 369.450 3.377 20 0 FGADHM CCCOc1ccc(CCC(=O)Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821134215 599620875 /nfs/dbraw/zinc/62/08/75/599620875.db2.gz ONLQFBHPPHQQCO-UHFFFAOYSA-N -1 3 352.394 3.194 20 0 FGADHM CCCOc1ccc(CCC(=O)Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821134215 599620876 /nfs/dbraw/zinc/62/08/76/599620876.db2.gz ONLQFBHPPHQQCO-UHFFFAOYSA-N -1 3 352.394 3.194 20 0 FGADHM Cn1c(C(=O)OCc2ccc(-c3nnn[n-]3)cc2)ccc1-c1ccccc1 ZINC000822596838 599623293 /nfs/dbraw/zinc/62/32/93/599623293.db2.gz WBRWBSWXLADVQO-UHFFFAOYSA-N -1 3 359.389 3.229 20 0 FGADHM Cn1c(C(=O)OCc2ccc(-c3nn[n-]n3)cc2)ccc1-c1ccccc1 ZINC000822596838 599623294 /nfs/dbraw/zinc/62/32/94/599623294.db2.gz WBRWBSWXLADVQO-UHFFFAOYSA-N -1 3 359.389 3.229 20 0 FGADHM CC[C@@H](Cc1ccccc1)OC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000820913210 599625720 /nfs/dbraw/zinc/62/57/20/599625720.db2.gz DLJLLZPVAPFZKN-SFHVURJKSA-N -1 3 350.422 3.364 20 0 FGADHM CC[C@@H](Cc1ccccc1)OC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000820913210 599625721 /nfs/dbraw/zinc/62/57/21/599625721.db2.gz DLJLLZPVAPFZKN-SFHVURJKSA-N -1 3 350.422 3.364 20 0 FGADHM CC[C@@H](Cc1ccc(C)cc1)OC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000820913863 599626008 /nfs/dbraw/zinc/62/60/08/599626008.db2.gz LBMASKZJLFAVGQ-SFHVURJKSA-N -1 3 350.422 3.282 20 0 FGADHM CC[C@@H](Cc1ccc(C)cc1)OC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000820913863 599626009 /nfs/dbraw/zinc/62/60/09/599626009.db2.gz LBMASKZJLFAVGQ-SFHVURJKSA-N -1 3 350.422 3.282 20 0 FGADHM CCO[C@H]1C[C@H](OC(=O)c2cccc(-c3nnn[n-]3)c2)C12CCCCC2 ZINC000821367234 599626118 /nfs/dbraw/zinc/62/61/18/599626118.db2.gz DGFLABZFOKBSPX-HOTGVXAUSA-N -1 3 356.426 3.151 20 0 FGADHM CCO[C@H]1C[C@H](OC(=O)c2cccc(-c3nn[n-]n3)c2)C12CCCCC2 ZINC000821367234 599626119 /nfs/dbraw/zinc/62/61/19/599626119.db2.gz DGFLABZFOKBSPX-HOTGVXAUSA-N -1 3 356.426 3.151 20 0 FGADHM CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)N(C)c1cccc(-c2nnn[n-]2)c1 ZINC000820939117 599627991 /nfs/dbraw/zinc/62/79/91/599627991.db2.gz QTJSEVNJXCTTOJ-JQFCIGGWSA-N -1 3 357.458 3.203 20 0 FGADHM CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)N(C)c1cccc(-c2nn[n-]n2)c1 ZINC000820939117 599627992 /nfs/dbraw/zinc/62/79/92/599627992.db2.gz QTJSEVNJXCTTOJ-JQFCIGGWSA-N -1 3 357.458 3.203 20 0 FGADHM C[C@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@H](C)C2)C(F)(F)F ZINC000820728731 599628455 /nfs/dbraw/zinc/62/84/55/599628455.db2.gz XVTLLWACSQNWTN-NKWVEPMBSA-N -1 3 359.377 3.190 20 0 FGADHM C[C@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@H](C)C2)C(F)(F)F ZINC000820728731 599628456 /nfs/dbraw/zinc/62/84/56/599628456.db2.gz XVTLLWACSQNWTN-NKWVEPMBSA-N -1 3 359.377 3.190 20 0 FGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cccc2cnccc21 ZINC000820121278 599649160 /nfs/dbraw/zinc/64/91/60/599649160.db2.gz OQBMUHNZHSEPPQ-UHFFFAOYSA-N -1 3 372.432 3.466 20 0 FGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cccc2cnccc21 ZINC000820121278 599649161 /nfs/dbraw/zinc/64/91/61/599649161.db2.gz OQBMUHNZHSEPPQ-UHFFFAOYSA-N -1 3 372.432 3.466 20 0 FGADHM C[C@@H](NC(=O)[C@@H](C)CCOc1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820249639 599651866 /nfs/dbraw/zinc/65/18/66/599651866.db2.gz XXCXVGHLWRURLM-LSDHHAIUSA-N -1 3 365.437 3.149 20 0 FGADHM C[C@@H](NC(=O)[C@@H](C)CCOc1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820249639 599651867 /nfs/dbraw/zinc/65/18/67/599651867.db2.gz XXCXVGHLWRURLM-LSDHHAIUSA-N -1 3 365.437 3.149 20 0 FGADHM CSc1ccc(F)cc1CNC(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000821983094 599664260 /nfs/dbraw/zinc/66/42/60/599664260.db2.gz DHDWHABIFVHMJK-UHFFFAOYSA-N -1 3 374.470 3.214 20 0 FGADHM CSc1ccc(F)cc1CNC(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000821983094 599664261 /nfs/dbraw/zinc/66/42/61/599664261.db2.gz DHDWHABIFVHMJK-UHFFFAOYSA-N -1 3 374.470 3.214 20 0 FGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1)c1c[nH]cc1-c1ccc(F)cc1 ZINC000823431746 599665694 /nfs/dbraw/zinc/66/56/94/599665694.db2.gz VDESUDUHNUJKIB-UHFFFAOYSA-N -1 3 363.352 3.358 20 0 FGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1)c1c[nH]cc1-c1ccc(F)cc1 ZINC000823431746 599665695 /nfs/dbraw/zinc/66/56/95/599665695.db2.gz VDESUDUHNUJKIB-UHFFFAOYSA-N -1 3 363.352 3.358 20 0 FGADHM C[C@H](NC(=O)N[C@H](c1cccs1)C1CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820360005 599667057 /nfs/dbraw/zinc/66/70/57/599667057.db2.gz WPDXOZJUNMNCCD-ZBEGNZNMSA-N -1 3 368.466 3.440 20 0 FGADHM C[C@H](NC(=O)N[C@H](c1cccs1)C1CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820360005 599667058 /nfs/dbraw/zinc/66/70/58/599667058.db2.gz WPDXOZJUNMNCCD-ZBEGNZNMSA-N -1 3 368.466 3.440 20 0 FGADHM C[C@@H]1CCN(C(=O)NCc2cccc(-c3nnn[n-]3)c2)[C@@H](c2ccco2)C1 ZINC000820717295 599668102 /nfs/dbraw/zinc/66/81/02/599668102.db2.gz PAXIRGPPQMDHSW-CZUORRHYSA-N -1 3 366.425 3.143 20 0 FGADHM C[C@@H]1CCN(C(=O)NCc2cccc(-c3nn[n-]n3)c2)[C@@H](c2ccco2)C1 ZINC000820717295 599668103 /nfs/dbraw/zinc/66/81/03/599668103.db2.gz PAXIRGPPQMDHSW-CZUORRHYSA-N -1 3 366.425 3.143 20 0 FGADHM C[C@H](OC(=O)CCCC1CCCC1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000820497766 599670679 /nfs/dbraw/zinc/67/06/79/599670679.db2.gz VKUDLFMWBSEHAC-ZDUSSCGKSA-N -1 3 371.441 3.097 20 0 FGADHM C[C@H](OC(=O)CCCC1CCCC1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000820497766 599670680 /nfs/dbraw/zinc/67/06/80/599670680.db2.gz VKUDLFMWBSEHAC-ZDUSSCGKSA-N -1 3 371.441 3.097 20 0 FGADHM C[C@H](NC(=O)N(C)[C@@H](C)c1cccc(O)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820342026 599679824 /nfs/dbraw/zinc/67/98/24/599679824.db2.gz SAKKFDFUTNNPLC-STQMWFEESA-N -1 3 366.425 3.036 20 0 FGADHM C[C@H](NC(=O)N(C)[C@@H](C)c1cccc(O)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820342026 599679825 /nfs/dbraw/zinc/67/98/25/599679825.db2.gz SAKKFDFUTNNPLC-STQMWFEESA-N -1 3 366.425 3.036 20 0 FGADHM CSc1ccc(F)cc1CNc1nc2c(cc1-c1nnn[n-]1)CCC2 ZINC000821983072 599686933 /nfs/dbraw/zinc/68/69/33/599686933.db2.gz DCWLHEULGMKPJH-UHFFFAOYSA-N -1 3 356.430 3.224 20 0 FGADHM CSc1ccc(F)cc1CNc1nc2c(cc1-c1nn[n-]n1)CCC2 ZINC000821983072 599686934 /nfs/dbraw/zinc/68/69/34/599686934.db2.gz DCWLHEULGMKPJH-UHFFFAOYSA-N -1 3 356.430 3.224 20 0 FGADHM C[C@@H]1CCc2c(sc(NC(=O)c3ccncc3Cl)c2-c2nnn[n-]2)C1 ZINC000820735522 599689786 /nfs/dbraw/zinc/68/97/86/599689786.db2.gz SOHIAPYWQVRDDK-MRVPVSSYSA-N -1 3 374.857 3.354 20 0 FGADHM C[C@@H]1CCc2c(sc(NC(=O)c3ccncc3Cl)c2-c2nn[n-]n2)C1 ZINC000820735522 599689787 /nfs/dbraw/zinc/68/97/87/599689787.db2.gz SOHIAPYWQVRDDK-MRVPVSSYSA-N -1 3 374.857 3.354 20 0 FGADHM CC[C@@H]1C[C@@H](C)CN1C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000820967199 599692607 /nfs/dbraw/zinc/69/26/07/599692607.db2.gz LMGHSEJSKOGQMP-MWLCHTKSSA-N -1 3 366.372 3.120 20 0 FGADHM CC[C@@H]1C[C@@H](C)CN1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000820967199 599692608 /nfs/dbraw/zinc/69/26/08/599692608.db2.gz LMGHSEJSKOGQMP-MWLCHTKSSA-N -1 3 366.372 3.120 20 0 FGADHM CCCC[C@H](C(=O)[O-])N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000736978913 599705585 /nfs/dbraw/zinc/70/55/85/599705585.db2.gz KQQBQHYTEPQSJJ-OAHLLOKOSA-N -1 3 373.280 3.395 20 0 FGADHM CCCN(Cc1ccoc1C(=O)[O-])[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000737021180 599794578 /nfs/dbraw/zinc/79/45/78/599794578.db2.gz QJTCTSIBSBZOQC-AWEZNQCLSA-N -1 3 352.431 3.199 20 0 FGADHM C[C@]1(NCC(=O)NCc2ccc(NC(=O)[O-])cc2)CCCc2ccccc21 ZINC000736738443 599803109 /nfs/dbraw/zinc/80/31/09/599803109.db2.gz LBRZDMFYLSOMNL-NRFANRHFSA-N -1 3 367.449 3.234 20 0 FGADHM Cc1ccc(C(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)c(F)c1 ZINC000822227631 607397897 /nfs/dbraw/zinc/39/78/97/607397897.db2.gz PWPILYYTVVNHQA-UHFFFAOYSA-N -1 3 355.373 3.354 20 0 FGADHM Cc1ccc(C(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)c(F)c1 ZINC000822227631 607397899 /nfs/dbraw/zinc/39/78/99/607397899.db2.gz PWPILYYTVVNHQA-UHFFFAOYSA-N -1 3 355.373 3.354 20 0 FGADHM COc1ccc([C@H](NCc2ccc(Br)cc2)C(=O)[O-])cc1 ZINC000737968672 599860030 /nfs/dbraw/zinc/86/00/30/599860030.db2.gz HPJHIPSFWLMLOK-HNNXBMFYSA-N -1 3 350.212 3.373 20 0 FGADHM Cc1cccc(C(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)c1F ZINC000822283796 607402404 /nfs/dbraw/zinc/40/24/04/607402404.db2.gz CVAVZPCMXIFJPG-UHFFFAOYSA-N -1 3 355.373 3.354 20 0 FGADHM Cc1cccc(C(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)c1F ZINC000822283796 607402406 /nfs/dbraw/zinc/40/24/06/607402406.db2.gz CVAVZPCMXIFJPG-UHFFFAOYSA-N -1 3 355.373 3.354 20 0 FGADHM O=C([O-])CN(Cc1ccc(-n2cccn2)cc1)Cc1ccc(F)c(F)c1 ZINC000739793682 599864338 /nfs/dbraw/zinc/86/43/38/599864338.db2.gz LZTZQZXKKPXCCC-UHFFFAOYSA-N -1 3 357.360 3.237 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)CCc1c[nH]c2ccccc12 ZINC000826253127 607403855 /nfs/dbraw/zinc/40/38/55/607403855.db2.gz GCZMJTLNJLXHOE-UHFFFAOYSA-N -1 3 361.405 3.332 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)CCc1c[nH]c2ccccc12 ZINC000826253127 607403856 /nfs/dbraw/zinc/40/38/56/607403856.db2.gz GCZMJTLNJLXHOE-UHFFFAOYSA-N -1 3 361.405 3.332 20 0 FGADHM CCO[C@@H](C)c1ncc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2C)s1 ZINC000825576249 607404201 /nfs/dbraw/zinc/40/42/01/607404201.db2.gz CSGIXCRJJZUEEZ-NSHDSACASA-N -1 3 373.438 3.086 20 0 FGADHM CCO[C@@H](C)c1ncc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2C)s1 ZINC000825576249 607404202 /nfs/dbraw/zinc/40/42/02/607404202.db2.gz CSGIXCRJJZUEEZ-NSHDSACASA-N -1 3 373.438 3.086 20 0 FGADHM CCN1CCN(c2ccc(NC(=O)c3cccc(NC(=O)[O-])c3)cc2)CC1 ZINC000737123342 599896810 /nfs/dbraw/zinc/89/68/10/599896810.db2.gz STFHCDWOXRBIKU-UHFFFAOYSA-N -1 3 368.437 3.171 20 0 FGADHM CC(C)Oc1ccc(NC(=O)c2cncc3ccccc32)cc1-c1nnn[n-]1 ZINC000820173327 607406822 /nfs/dbraw/zinc/40/68/22/607406822.db2.gz AFPYUUZRSOOVJP-UHFFFAOYSA-N -1 3 374.404 3.454 20 0 FGADHM CC(C)Oc1ccc(NC(=O)c2cncc3ccccc32)cc1-c1nn[n-]n1 ZINC000820173327 607406823 /nfs/dbraw/zinc/40/68/23/607406823.db2.gz AFPYUUZRSOOVJP-UHFFFAOYSA-N -1 3 374.404 3.454 20 0 FGADHM CCc1ccc([C@@H](CNC(=O)c2cccc(NC(=O)[O-])c2)N(C)C)cc1 ZINC000737258847 599928357 /nfs/dbraw/zinc/92/83/57/599928357.db2.gz KTNKBOKYLVCUOF-GOSISDBHSA-N -1 3 355.438 3.372 20 0 FGADHM C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)CCc2ccc(C(=O)[O-])cc2)C1 ZINC000736722139 600041198 /nfs/dbraw/zinc/04/11/98/600041198.db2.gz AMLCJSGTUCPLRD-OXJNMPFZSA-N -1 3 366.461 3.269 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)C[C@@H](C)c1ccc(F)cc1 ZINC000821741455 607416847 /nfs/dbraw/zinc/41/68/47/607416847.db2.gz LXMSZEKTFNMCNF-GFCCVEGCSA-N -1 3 370.384 3.251 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)C[C@@H](C)c1ccc(F)cc1 ZINC000821741455 607416849 /nfs/dbraw/zinc/41/68/49/607416849.db2.gz LXMSZEKTFNMCNF-GFCCVEGCSA-N -1 3 370.384 3.251 20 0 FGADHM CCCCCNC(=O)C1CCN(Cc2ccc(F)cc2C(=O)[O-])CC1 ZINC000736990926 600085407 /nfs/dbraw/zinc/08/54/07/600085407.db2.gz ZJQFKBSSQWKTCJ-UHFFFAOYSA-N -1 3 350.434 3.042 20 0 FGADHM Cc1oc(CN2CCC([C@H](C)NC(=O)OC(C)(C)C)CC2)cc1C(=O)[O-] ZINC000738980405 600093508 /nfs/dbraw/zinc/09/35/08/600093508.db2.gz UIRNAUCUNRAMMK-LBPRGKRZSA-N -1 3 366.458 3.411 20 0 FGADHM Cc1cc(Br)ccc1OC(=O)c1sccc1-c1nnn[n-]1 ZINC000826256764 607862911 /nfs/dbraw/zinc/86/29/11/607862911.db2.gz ZCSGAQIZGJQDIF-UHFFFAOYSA-N -1 3 365.212 3.218 20 0 FGADHM Cc1ccc2oc(C(=O)NC3(c4cccc(-c5nnn[n-]5)c4)CC3)cc2c1 ZINC000826295273 607422268 /nfs/dbraw/zinc/42/22/68/607422268.db2.gz AARLWIFHWIIFBS-UHFFFAOYSA-N -1 3 359.389 3.340 20 0 FGADHM Cc1ccc2oc(C(=O)NC3(c4cccc(-c5nn[n-]n5)c4)CC3)cc2c1 ZINC000826295273 607422270 /nfs/dbraw/zinc/42/22/70/607422270.db2.gz AARLWIFHWIIFBS-UHFFFAOYSA-N -1 3 359.389 3.340 20 0 FGADHM CC(C)CNC(=O)c1cccc(CN(CC(=O)[O-])Cc2ccccc2)c1 ZINC000736439849 600128241 /nfs/dbraw/zinc/12/82/41/600128241.db2.gz AGSRSHXHVGQQMX-UHFFFAOYSA-N -1 3 354.450 3.159 20 0 FGADHM O=C(C[C@H]1CCc2ccccc21)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826405184 607426017 /nfs/dbraw/zinc/42/60/17/607426017.db2.gz XQHLXXXWOKUAKZ-OAHLLOKOSA-N -1 3 359.433 3.092 20 0 FGADHM O=C(C[C@H]1CCc2ccccc21)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826405184 607426018 /nfs/dbraw/zinc/42/60/18/607426018.db2.gz XQHLXXXWOKUAKZ-OAHLLOKOSA-N -1 3 359.433 3.092 20 0 FGADHM CC(C)Oc1ccc(NC(=O)N(C)[C@@H](C)C2(C)CC2)cc1-c1nnn[n-]1 ZINC000820166315 607428905 /nfs/dbraw/zinc/42/89/05/607428905.db2.gz VSJCJTSSVHJBIN-LBPRGKRZSA-N -1 3 358.446 3.306 20 0 FGADHM CC(C)Oc1ccc(NC(=O)N(C)[C@@H](C)C2(C)CC2)cc1-c1nn[n-]n1 ZINC000820166315 607428907 /nfs/dbraw/zinc/42/89/07/607428907.db2.gz VSJCJTSSVHJBIN-LBPRGKRZSA-N -1 3 358.446 3.306 20 0 FGADHM CC(C)N(CCC(=O)[O-])CC(=O)N(C)C(c1ccccc1)c1ccccc1 ZINC000736465476 600223199 /nfs/dbraw/zinc/22/31/99/600223199.db2.gz HWDTUWGYQLFFEL-UHFFFAOYSA-N -1 3 368.477 3.420 20 0 FGADHM Cc1ccc(C[C@@H]2CCCN2CC(=O)N(C)c2ccccc2C(=O)[O-])cc1 ZINC000738588349 600225456 /nfs/dbraw/zinc/22/54/56/600225456.db2.gz DFBJMGHBGUEPSH-SFHVURJKSA-N -1 3 366.461 3.363 20 0 FGADHM CC(C)Oc1ccc(NC(=O)NC[C@H]2CC=CCC2)cc1-c1nnn[n-]1 ZINC000820169591 607431553 /nfs/dbraw/zinc/43/15/53/607431553.db2.gz JYAVCCLLFCEFBN-ZDUSSCGKSA-N -1 3 356.430 3.132 20 0 FGADHM CC(C)Oc1ccc(NC(=O)NC[C@H]2CC=CCC2)cc1-c1nn[n-]n1 ZINC000820169591 607431556 /nfs/dbraw/zinc/43/15/56/607431556.db2.gz JYAVCCLLFCEFBN-ZDUSSCGKSA-N -1 3 356.430 3.132 20 0 FGADHM Cc1c(C(=O)[O-])sc2nc(C)nc(N3C[C@H]4CCCCN4C[C@@H]3C)c12 ZINC000738361019 600314703 /nfs/dbraw/zinc/31/47/03/600314703.db2.gz ARUDRLOMCVENCF-GXFFZTMASA-N -1 3 360.483 3.069 20 0 FGADHM CCC[C@@](C)(NCc1nc2cc(C(F)(F)F)ccc2c(=O)[nH]1)C(=O)[O-] ZINC000736959507 600324011 /nfs/dbraw/zinc/32/40/11/600324011.db2.gz PPKKUDDKSKZPLL-OAHLLOKOSA-N -1 3 357.332 3.087 20 0 FGADHM Cc1cc(OCC(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)cc(C)c1Cl ZINC000826271784 607437686 /nfs/dbraw/zinc/43/76/86/607437686.db2.gz HFKHSQBEHDJOEG-UHFFFAOYSA-N -1 3 371.828 3.179 20 0 FGADHM Cc1cc(OCC(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)cc(C)c1Cl ZINC000826271784 607437688 /nfs/dbraw/zinc/43/76/88/607437688.db2.gz HFKHSQBEHDJOEG-UHFFFAOYSA-N -1 3 371.828 3.179 20 0 FGADHM CN(C(=O)c1ccc(F)c(C(F)(F)F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825829664 607438636 /nfs/dbraw/zinc/43/86/36/607438636.db2.gz ILICIXLJJRJMOB-UHFFFAOYSA-N -1 3 365.290 3.301 20 0 FGADHM CN(C(=O)c1ccc(F)c(C(F)(F)F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825829664 607438638 /nfs/dbraw/zinc/43/86/38/607438638.db2.gz ILICIXLJJRJMOB-UHFFFAOYSA-N -1 3 365.290 3.301 20 0 FGADHM CN(C(=O)Cn1ccc2ccc(Cl)cc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000825820563 607438647 /nfs/dbraw/zinc/43/86/47/607438647.db2.gz KMOCTCOOUANDBN-UHFFFAOYSA-N -1 3 366.812 3.138 20 0 FGADHM CN(C(=O)Cn1ccc2ccc(Cl)cc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000825820563 607438648 /nfs/dbraw/zinc/43/86/48/607438648.db2.gz KMOCTCOOUANDBN-UHFFFAOYSA-N -1 3 366.812 3.138 20 0 FGADHM O=C([O-])[C@@H](c1cccc(Cl)c1)N1CCC(C(=O)N2CCCCC2)CC1 ZINC000739519448 600402012 /nfs/dbraw/zinc/40/20/12/600402012.db2.gz YMUONMOIKOKASZ-QGZVFWFLSA-N -1 3 364.873 3.190 20 0 FGADHM Cc1nc(-c2cccc(NC(=O)CN(CCC(=O)[O-])C(C)C)c2)cs1 ZINC000738831946 600446266 /nfs/dbraw/zinc/44/62/66/600446266.db2.gz MIZUKLNHDCYIJF-UHFFFAOYSA-N -1 3 361.467 3.242 20 0 FGADHM O=C([O-])Nc1ccccc1C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000740048141 600498788 /nfs/dbraw/zinc/49/87/88/600498788.db2.gz YWOKKGUCYBVIEE-INIZCTEOSA-N -1 3 353.422 3.171 20 0 FGADHM OCC[C@@H](Nc1ccc(C(F)(F)F)c(-c2nnn[n-]2)c1)c1cccs1 ZINC000826509262 607452966 /nfs/dbraw/zinc/45/29/66/607452966.db2.gz QEDCJIACCDMSIC-GFCCVEGCSA-N -1 3 369.372 3.483 20 0 FGADHM OCC[C@@H](Nc1ccc(C(F)(F)F)c(-c2nn[n-]n2)c1)c1cccs1 ZINC000826509262 607452968 /nfs/dbraw/zinc/45/29/68/607452968.db2.gz QEDCJIACCDMSIC-GFCCVEGCSA-N -1 3 369.372 3.483 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NC[C@@H](Nc1ccccc1)C(C)C ZINC000826247731 607455560 /nfs/dbraw/zinc/45/55/60/607455560.db2.gz MLMPSEAPSDJNKI-GOSISDBHSA-N -1 3 364.453 3.042 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NC[C@@H](Nc1ccccc1)C(C)C ZINC000826247731 607455561 /nfs/dbraw/zinc/45/55/61/607455561.db2.gz MLMPSEAPSDJNKI-GOSISDBHSA-N -1 3 364.453 3.042 20 0 FGADHM O=C(NC1CC(c2ccccc2)C1)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826429265 607456307 /nfs/dbraw/zinc/45/63/07/607456307.db2.gz YGICQBLGUFOGMI-UHFFFAOYSA-N -1 3 374.448 3.101 20 0 FGADHM O=C(NC1CC(c2ccccc2)C1)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826429265 607456309 /nfs/dbraw/zinc/45/63/09/607456309.db2.gz YGICQBLGUFOGMI-UHFFFAOYSA-N -1 3 374.448 3.101 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1cc(CC2CCCCC2)[nH]n1 ZINC000826249514 607460627 /nfs/dbraw/zinc/46/06/27/607460627.db2.gz GOFCTOLPYBPEFE-UHFFFAOYSA-N -1 3 365.441 3.273 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1cc(CC2CCCCC2)[nH]n1 ZINC000826249514 607460628 /nfs/dbraw/zinc/46/06/28/607460628.db2.gz GOFCTOLPYBPEFE-UHFFFAOYSA-N -1 3 365.441 3.273 20 0 FGADHM CCOc1ccc(-c2nc(COc3cccc(-c4nnn[n-]4)c3)co2)cc1 ZINC000821400436 607461258 /nfs/dbraw/zinc/46/12/58/607461258.db2.gz JQFHYLFAQTUEBF-UHFFFAOYSA-N -1 3 363.377 3.499 20 0 FGADHM CCOc1ccc(-c2nc(COc3cccc(-c4nn[n-]n4)c3)co2)cc1 ZINC000821400436 607461259 /nfs/dbraw/zinc/46/12/59/607461259.db2.gz JQFHYLFAQTUEBF-UHFFFAOYSA-N -1 3 363.377 3.499 20 0 FGADHM CCO[C@H]1C[C@@H](N(C)Cn2ncc3cc(C(=O)[O-])ccc32)C12CCCC2 ZINC000737164877 600706301 /nfs/dbraw/zinc/70/63/01/600706301.db2.gz KNRRZUSODZPXMO-MSOLQXFVSA-N -1 3 357.454 3.362 20 0 FGADHM O=C([O-])[C@@H](N[C@H]1CCN(CC(F)(F)F)C1)c1ccc(Cl)cc1Cl ZINC000833167237 600745899 /nfs/dbraw/zinc/74/58/99/600745899.db2.gz LCJYCCJJKSEQJU-CABZTGNLSA-N -1 3 371.186 3.345 20 0 FGADHM O=C([O-])c1ccc(COC(=O)C2CCN(Cc3ccccc3)CC2)cc1 ZINC000740134419 600804148 /nfs/dbraw/zinc/80/41/48/600804148.db2.gz UVRZUEDQXXSWQA-UHFFFAOYSA-N -1 3 353.418 3.340 20 0 FGADHM Cc1nc2ccc(Br)cc2c(N2CCN(C(=O)[O-])CC2)c1C ZINC000833004339 600810828 /nfs/dbraw/zinc/81/08/28/600810828.db2.gz NRSMKPNBMZVJCI-UHFFFAOYSA-N -1 3 364.243 3.414 20 0 FGADHM C[C@H](c1ccc(-c2nn[n-]n2)cc1)N(C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000824763261 607470204 /nfs/dbraw/zinc/47/02/04/607470204.db2.gz MHVDRLGMZFFRKK-CQSZACIVSA-N -1 3 359.437 3.450 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1CNCc1ccnc(OC2CCCC2)c1 ZINC000822744465 607474385 /nfs/dbraw/zinc/47/43/85/607474385.db2.gz UOPIGWXKSXJOOT-UHFFFAOYSA-N -1 3 368.416 3.012 20 0 FGADHM C[C@@H]1CC[C@@H](C)N1CC(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000828214368 600931924 /nfs/dbraw/zinc/93/19/24/600931924.db2.gz LNYCRXFEUBQTJD-ZIAGYGMSSA-N -1 3 350.484 3.206 20 0 FGADHM Cc1ccc([C@H]2CCCCN2C[C@@H](O)COc2ccc(C(=O)[O-])cc2)o1 ZINC000738583797 600968869 /nfs/dbraw/zinc/96/88/69/600968869.db2.gz RRRWEYPWHIWWKR-SJLPKXTDSA-N -1 3 359.422 3.253 20 0 FGADHM Cc1[nH]c(C(=O)N2CCN(Cc3ccccc3)CC[C@H]2C)c(C)c1C(=O)[O-] ZINC000832844215 601108971 /nfs/dbraw/zinc/10/89/71/601108971.db2.gz YEKWUJGYXJTBFF-CQSZACIVSA-N -1 3 369.465 3.066 20 0 FGADHM Cc1oc(C(=O)[O-])cc1CN1CCC[C@@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000738957869 601119263 /nfs/dbraw/zinc/11/92/63/601119263.db2.gz PNTNREWAQJLQBM-SNVBAGLBSA-N -1 3 357.332 3.408 20 0 FGADHM CCN(C(=O)c1cccc(CN2CCCC2)c1)c1ncc(C(=O)[O-])s1 ZINC000737059278 601125327 /nfs/dbraw/zinc/12/53/27/601125327.db2.gz LNCSROANUPNMPZ-UHFFFAOYSA-N -1 3 359.451 3.104 20 0 FGADHM C[C@H](c1ccc(C(=O)[O-])o1)N1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000827929153 601183832 /nfs/dbraw/zinc/18/38/32/601183832.db2.gz WEGWSCFSIZRIHX-HUUCEWRRSA-N -1 3 356.422 3.181 20 0 FGADHM CCN(C(=O)c1ccnc(C(=O)[O-])c1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000829601851 601279972 /nfs/dbraw/zinc/27/99/72/601279972.db2.gz BEMUCZYJODJKKG-QAPCUYQASA-N -1 3 367.449 3.077 20 0 FGADHM O=C([O-])[C@@H](c1ccc(Cl)cc1Cl)N1CCC(c2nc[nH]n2)CC1 ZINC000833172334 601330570 /nfs/dbraw/zinc/33/05/70/601330570.db2.gz SPFZABXGQPUDMT-CYBMUJFWSA-N -1 3 355.225 3.117 20 0 FGADHM CC(C)c1ncc(C(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)s1 ZINC000820206326 607501288 /nfs/dbraw/zinc/50/12/88/607501288.db2.gz IHTQZYFPIAWJCC-UHFFFAOYSA-N -1 3 362.846 3.377 20 0 FGADHM CC(C)c1ncc(C(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)s1 ZINC000820206326 607501291 /nfs/dbraw/zinc/50/12/91/607501291.db2.gz IHTQZYFPIAWJCC-UHFFFAOYSA-N -1 3 362.846 3.377 20 0 FGADHM COc1ccc(CN2CCc3cc(F)ccc3[C@@H]2C)cc1-c1nnn[n-]1 ZINC000826195032 607504193 /nfs/dbraw/zinc/50/41/93/607504193.db2.gz FUHGAIYAAADZBU-LBPRGKRZSA-N -1 3 353.401 3.134 20 0 FGADHM COc1ccc([C@@H]2CCN(Cn3nc(C(=O)[O-])c4ccccc43)C2)cc1 ZINC000832274212 601399280 /nfs/dbraw/zinc/39/92/80/601399280.db2.gz YFHYIAJWLIRRJA-OAHLLOKOSA-N -1 3 351.406 3.190 20 0 FGADHM Cc1sc(C(=O)[O-])cc1CN1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000833031086 601642344 /nfs/dbraw/zinc/64/23/44/601642344.db2.gz DTGBRCPSZZVWJW-FZMZJTMJSA-N -1 3 368.499 3.490 20 0 FGADHM CN(C)CCN(Cc1cccs1)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000830608993 601697099 /nfs/dbraw/zinc/69/70/99/601697099.db2.gz PAUBEMCPWWINIC-UHFFFAOYSA-N -1 3 365.430 3.181 20 0 FGADHM O=C([O-])c1sccc1CN1CCC(C(=O)Nc2cccc(F)c2)CC1 ZINC000833347499 601821394 /nfs/dbraw/zinc/82/13/94/601821394.db2.gz HZIFJLQZQQGYER-UHFFFAOYSA-N -1 3 362.426 3.436 20 0 FGADHM O=C([O-])N1CCC(N(C(=O)c2cccc(CN3CCCC3)c2)C2CC2)CC1 ZINC000740499617 601854455 /nfs/dbraw/zinc/85/44/55/601854455.db2.gz GLICQQZEPNUEJT-UHFFFAOYSA-N -1 3 371.481 3.029 20 0 FGADHM Cc1nc(-c2ccc(Cl)c(Cl)c2)n(CN2CC[C@@](C)(C(=O)[O-])C2)n1 ZINC000832991405 601892429 /nfs/dbraw/zinc/89/24/29/601892429.db2.gz QQDYWSKTJGIKSE-MRXNPFEDSA-N -1 3 369.252 3.314 20 0 FGADHM CN(Cc1ccc2c(c1)CCO2)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830841328 601906527 /nfs/dbraw/zinc/90/65/27/601906527.db2.gz ZPWYBBMKFFZZMD-KRWDZBQOSA-N -1 3 351.324 3.297 20 0 FGADHM O=C([O-])NC[C@@H]1CCN(Cc2cccc(C(=O)Nc3ccccc3)c2)C1 ZINC000740645996 601939296 /nfs/dbraw/zinc/93/92/96/601939296.db2.gz IRFNNDYRDWBWFB-INIZCTEOSA-N -1 3 353.422 3.028 20 0 FGADHM O=C([O-])NC[C@@H]1CCN(Cc2c(-c3ccccc3)nc3sccn23)C1 ZINC000740640576 601955973 /nfs/dbraw/zinc/95/59/73/601955973.db2.gz ADWMESCDDXKLEH-ZDUSSCGKSA-N -1 3 356.451 3.152 20 0 FGADHM C[C@@H]1C[C@H](NC(=O)Nc2ccc(F)c(C(=O)[O-])c2)CN1Cc1ccccc1 ZINC000398214748 602032837 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COCc1cccc(CNc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)c1 ZINC000826164439 607551250 /nfs/dbraw/zinc/55/12/50/607551250.db2.gz AGPNLUGREMPHHW-UHFFFAOYSA-N -1 3 353.426 3.412 20 0 FGADHM COCc1cccc(CNc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)c1 ZINC000826164439 607551253 /nfs/dbraw/zinc/55/12/53/607551253.db2.gz AGPNLUGREMPHHW-UHFFFAOYSA-N -1 3 353.426 3.412 20 0 FGADHM COc1ccc(CNc2ccc3c(cnn3C(F)F)c2)cc1-c1nnn[n-]1 ZINC000826203684 607554021 /nfs/dbraw/zinc/55/40/21/607554021.db2.gz BGLUFBMMYGCKCM-UHFFFAOYSA-N -1 3 371.351 3.232 20 0 FGADHM COc1ccc(CNc2ccc3c(cnn3C(F)F)c2)cc1-c1nn[n-]n1 ZINC000826203684 607554023 /nfs/dbraw/zinc/55/40/23/607554023.db2.gz BGLUFBMMYGCKCM-UHFFFAOYSA-N -1 3 371.351 3.232 20 0 FGADHM O=C([O-])N1CCC(N(Cn2ccc(-c3ccc(F)cc3)n2)C2CC2)CC1 ZINC000740504886 602323999 /nfs/dbraw/zinc/32/39/99/602323999.db2.gz HQWRCYZBFIOCKM-UHFFFAOYSA-N -1 3 358.417 3.254 20 0 FGADHM COc1ccc(CNc2ncnc3sc(C)c(C)c32)cc1-c1nnn[n-]1 ZINC000826204765 607562024 /nfs/dbraw/zinc/56/20/24/607562024.db2.gz YQGQWHBAVQTACE-UHFFFAOYSA-N -1 3 367.438 3.109 20 0 FGADHM COc1ccc(CNc2ncnc3sc(C)c(C)c32)cc1-c1nn[n-]n1 ZINC000826204765 607562026 /nfs/dbraw/zinc/56/20/26/607562026.db2.gz YQGQWHBAVQTACE-UHFFFAOYSA-N -1 3 367.438 3.109 20 0 FGADHM CN(C(=O)Nc1ccc(F)c(C(=O)[O-])c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000312958226 602362589 /nfs/dbraw/zinc/36/25/89/602362589.db2.gz JCCGNIPSDBIGGT-MRXNPFEDSA-N -1 3 371.412 3.262 20 0 FGADHM CN(C)CCN(CCc1ccccc1)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000830604834 602384302 /nfs/dbraw/zinc/38/43/02/602384302.db2.gz VMHZCXMSSOUYIP-UHFFFAOYSA-N -1 3 373.428 3.162 20 0 FGADHM O=C([O-])NC1(c2noc(C3CCN(Cc4ccccc4)CC3)n2)CCCC1 ZINC000740549890 602414502 /nfs/dbraw/zinc/41/45/02/602414502.db2.gz KFRUSFNYKOUNOX-UHFFFAOYSA-N -1 3 370.453 3.486 20 0 FGADHM CN1CCC(N(C(=O)Cc2ccc(NC(=O)[O-])cc2)c2ccccc2)CC1 ZINC000739729164 602699474 /nfs/dbraw/zinc/69/94/74/602699474.db2.gz FSXZYMWOEIYVOA-UHFFFAOYSA-N -1 3 367.449 3.446 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cn1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000826453040 607586948 /nfs/dbraw/zinc/58/69/48/607586948.db2.gz SRDWAQVSAKJQSH-UHFFFAOYSA-N -1 3 368.706 3.186 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cn1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000826453040 607586950 /nfs/dbraw/zinc/58/69/50/607586950.db2.gz SRDWAQVSAKJQSH-UHFFFAOYSA-N -1 3 368.706 3.186 20 0 FGADHM COc1ccc(COC(=O)CSc2ccccc2C)cc1-c1nnn[n-]1 ZINC000826205793 607594217 /nfs/dbraw/zinc/59/42/17/607594217.db2.gz NAFFITSPANBCIG-UHFFFAOYSA-N -1 3 370.434 3.019 20 0 FGADHM COc1ccc(COC(=O)CSc2ccccc2C)cc1-c1nn[n-]n1 ZINC000826205793 607594220 /nfs/dbraw/zinc/59/42/20/607594220.db2.gz NAFFITSPANBCIG-UHFFFAOYSA-N -1 3 370.434 3.019 20 0 FGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1)c1cc(-c2ccccc2)ns1 ZINC000826465799 607614531 /nfs/dbraw/zinc/61/45/31/607614531.db2.gz DBBQYTUWHRRINT-UHFFFAOYSA-N -1 3 363.402 3.347 20 0 FGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1)c1cc(-c2ccccc2)ns1 ZINC000826465799 607614532 /nfs/dbraw/zinc/61/45/32/607614532.db2.gz DBBQYTUWHRRINT-UHFFFAOYSA-N -1 3 363.402 3.347 20 0 FGADHM CC1=C(C(=O)OCc2ccc(-c3nnn[n-]3)cc2OC(F)F)CCC1 ZINC000824853132 607614925 /nfs/dbraw/zinc/61/49/25/607614925.db2.gz WKCVWBWBPBOXBM-UHFFFAOYSA-N -1 3 350.325 3.012 20 0 FGADHM CC1=C(C(=O)OCc2ccc(-c3nn[n-]n3)cc2OC(F)F)CCC1 ZINC000824853132 607614927 /nfs/dbraw/zinc/61/49/27/607614927.db2.gz WKCVWBWBPBOXBM-UHFFFAOYSA-N -1 3 350.325 3.012 20 0 FGADHM C[C@H](NC(=O)[O-])c1ccc(NC(=O)N[C@H](CN(C)C)c2ccccc2)cc1 ZINC000825426920 603388038 /nfs/dbraw/zinc/38/80/38/603388038.db2.gz MCEZSRQPECFRBE-KBXCAEBGSA-N -1 3 370.453 3.440 20 0 FGADHM Cc1ccc(C(=O)N(CCN(C)C)Cc2ccccc2F)cc1NC(=O)[O-] ZINC000830188036 603402092 /nfs/dbraw/zinc/40/20/92/603402092.db2.gz UWAWGXBRGCUWLX-UHFFFAOYSA-N -1 3 373.428 3.428 20 0 FGADHM C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)N(C)CC(C)(C)CNC(=O)[O-] ZINC000823670387 603626866 /nfs/dbraw/zinc/62/68/66/603626866.db2.gz VNCULGIHKLWQAO-ZIAGYGMSSA-N -1 3 367.515 3.026 20 0 FGADHM Cc1cscc1N[C@H](C)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826321025 607647294 /nfs/dbraw/zinc/64/72/94/607647294.db2.gz NZWXMNCWBQJUTG-SECBINFHSA-N -1 3 362.846 3.329 20 0 FGADHM Cc1cscc1N[C@H](C)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826321025 607647295 /nfs/dbraw/zinc/64/72/95/607647295.db2.gz NZWXMNCWBQJUTG-SECBINFHSA-N -1 3 362.846 3.329 20 0 FGADHM CN(C)C(=O)Sc1ccc(CN2CCC[C@@H]2CN(C)C(=O)[O-])cc1 ZINC000827974747 603737110 /nfs/dbraw/zinc/73/71/10/603737110.db2.gz DTXVEEUNPWIEPX-CQSZACIVSA-N -1 3 351.472 3.035 20 0 FGADHM CN(C)C(=O)Sc1cccc(CN(C)CC(C)(C)CNC(=O)[O-])c1 ZINC000828382715 603739171 /nfs/dbraw/zinc/73/91/71/603739171.db2.gz KQIUFHNTBPTTSR-UHFFFAOYSA-N -1 3 353.488 3.186 20 0 FGADHM CC[C@H]1CCc2nc(NC(=O)c3ccc(-c4nnn[n-]4)cc3C)sc2C1 ZINC000825204967 607666342 /nfs/dbraw/zinc/66/63/42/607666342.db2.gz UQFZGXYFEAPQFK-NSHDSACASA-N -1 3 368.466 3.399 20 0 FGADHM CC[C@H]1CCc2nc(NC(=O)c3ccc(-c4nn[n-]n4)cc3C)sc2C1 ZINC000825204967 607666344 /nfs/dbraw/zinc/66/63/44/607666344.db2.gz UQFZGXYFEAPQFK-NSHDSACASA-N -1 3 368.466 3.399 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccc(OC(F)F)c(F)c1 ZINC000826250186 607667304 /nfs/dbraw/zinc/66/73/04/607667304.db2.gz OJQKFBDYBLMYKP-UHFFFAOYSA-N -1 3 363.299 3.168 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccc(OC(F)F)c(F)c1 ZINC000826250186 607667307 /nfs/dbraw/zinc/66/73/07/607667307.db2.gz OJQKFBDYBLMYKP-UHFFFAOYSA-N -1 3 363.299 3.168 20 0 FGADHM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(Cc2cccc(SC(=O)N(C)C)c2)C1 ZINC000825262641 604187314 /nfs/dbraw/zinc/18/73/14/604187314.db2.gz BKENUYOROBBQNK-UKRRQHHQSA-N -1 3 365.499 3.328 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NCC1(c2ccc(F)cc2)CCC1 ZINC000826248161 607678414 /nfs/dbraw/zinc/67/84/14/607678414.db2.gz YKWGGECMYWTTHK-UHFFFAOYSA-N -1 3 365.412 3.166 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NCC1(c2ccc(F)cc2)CCC1 ZINC000826248161 607678417 /nfs/dbraw/zinc/67/84/17/607678417.db2.gz YKWGGECMYWTTHK-UHFFFAOYSA-N -1 3 365.412 3.166 20 0 FGADHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1N1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000826368153 607682112 /nfs/dbraw/zinc/68/21/12/607682112.db2.gz DTFMSNGJKSOPEC-QWHCGFSZSA-N -1 3 367.375 3.138 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCC[C@@H](Cc2ccccc2)C1 ZINC000826245184 607686113 /nfs/dbraw/zinc/68/61/13/607686113.db2.gz QBFJBTRZYNBCGI-KRWDZBQOSA-N -1 3 361.449 3.270 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCC[C@@H](Cc2ccccc2)C1 ZINC000826245184 607686114 /nfs/dbraw/zinc/68/61/14/607686114.db2.gz QBFJBTRZYNBCGI-KRWDZBQOSA-N -1 3 361.449 3.270 20 0 FGADHM COc1ccc([C@@H](C)NC[C@H](NC(=O)[O-])c2ccccc2)cc1NC(C)=O ZINC000829304190 604380275 /nfs/dbraw/zinc/38/02/75/604380275.db2.gz YDZFXNMNTWTYAZ-ACJLOTCBSA-N -1 3 371.437 3.313 20 0 FGADHM Cc1cc([C@@H](C)N2CCC[C@H](C(=O)Nc3ccc(C)cn3)C2)oc1C(=O)[O-] ZINC000832940643 604385484 /nfs/dbraw/zinc/38/54/84/604385484.db2.gz BHVGLOAPFHCGNC-CABCVRRESA-N -1 3 371.437 3.401 20 0 FGADHM O=C(Nc1ccccc1SCC(F)(F)F)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826457474 607690599 /nfs/dbraw/zinc/69/05/99/607690599.db2.gz CRWZVKVMFUKNFD-UHFFFAOYSA-N -1 3 368.344 3.102 20 0 FGADHM O=C(Nc1ccccc1SCC(F)(F)F)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826457474 607690601 /nfs/dbraw/zinc/69/06/01/607690601.db2.gz CRWZVKVMFUKNFD-UHFFFAOYSA-N -1 3 368.344 3.102 20 0 FGADHM Cc1ccccc1C[C@@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000826306763 607691386 /nfs/dbraw/zinc/69/13/86/607691386.db2.gz KTXBNVYSIXVIEH-SFHVURJKSA-N -1 3 361.449 3.331 20 0 FGADHM Cc1ccccc1C[C@@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000826306763 607691387 /nfs/dbraw/zinc/69/13/87/607691387.db2.gz KTXBNVYSIXVIEH-SFHVURJKSA-N -1 3 361.449 3.331 20 0 FGADHM Cc1cc(CNC2(c3ccc4c(c3)OCO4)CC2)cc(C)c1OCC(=O)[O-] ZINC000832882937 604420389 /nfs/dbraw/zinc/42/03/89/604420389.db2.gz PTMXZILNDOTMBR-UHFFFAOYSA-N -1 3 369.417 3.274 20 0 FGADHM CCSc1ccc(CC(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000825674722 607693819 /nfs/dbraw/zinc/69/38/19/607693819.db2.gz ROGIEXXLRFZXPF-UHFFFAOYSA-N -1 3 367.478 3.180 20 0 FGADHM CCSc1ccc(CC(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825674722 607693821 /nfs/dbraw/zinc/69/38/21/607693821.db2.gz ROGIEXXLRFZXPF-UHFFFAOYSA-N -1 3 367.478 3.180 20 0 FGADHM CCc1ccccc1C(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000830276522 604664069 /nfs/dbraw/zinc/66/40/69/604664069.db2.gz HNXXODDEONDNPX-QFIPXVFZSA-N -1 3 366.461 3.098 20 0 FGADHM COc1cc(N[C@@H]2CCCN(Cc3ccc(C(=O)[O-])o3)C2)cc(OC)c1 ZINC000832026191 604798992 /nfs/dbraw/zinc/79/89/92/604798992.db2.gz IGXWKUANUPROFC-CYBMUJFWSA-N -1 3 360.410 3.072 20 0 FGADHM CC1=C(C(=O)[O-])C[C@H](CN2CCC(C(=O)c3ccc(Cl)cc3)CC2)O1 ZINC000833585503 604826928 /nfs/dbraw/zinc/82/69/28/604826928.db2.gz XLXDFOGSGITXPH-MRXNPFEDSA-N -1 3 363.841 3.382 20 0 FGADHM CCCc1c(C(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)[nH]c(C)c1C(=O)[O-] ZINC000833652985 604860987 /nfs/dbraw/zinc/86/09/87/604860987.db2.gz LCNGEMLWPUMEAI-QFBILLFUSA-N -1 3 369.465 3.149 20 0 FGADHM CC(C)(C)OC(=O)c1ccc(CN2CCSC[C@@H]2CC(=O)[O-])cc1 ZINC000833444509 604918756 /nfs/dbraw/zinc/91/87/56/604918756.db2.gz WUFBBJDOTDIHNT-HNNXBMFYSA-N -1 3 351.468 3.034 20 0 FGADHM C[C@@H](NCC1=C(C(=O)[O-])[C@H](c2ccccc2)NC(=O)N1C)c1ccccc1 ZINC000833739189 605124894 /nfs/dbraw/zinc/12/48/94/605124894.db2.gz PVHIQKYQLGJRKP-KUHUBIRLSA-N -1 3 365.433 3.072 20 0 FGADHM Cc1ccc([C@H]2[C@H](C)CCCN2C(=O)c2ccc(-c3nnn[n-]3)[nH]2)cc1 ZINC000826285209 607741485 /nfs/dbraw/zinc/74/14/85/607741485.db2.gz RYKCVCRVMBDORX-CXAGYDPISA-N -1 3 350.426 3.117 20 0 FGADHM Cc1ccc([C@H]2[C@H](C)CCCN2C(=O)c2ccc(-c3nn[n-]n3)[nH]2)cc1 ZINC000826285209 607741486 /nfs/dbraw/zinc/74/14/86/607741486.db2.gz RYKCVCRVMBDORX-CXAGYDPISA-N -1 3 350.426 3.117 20 0 FGADHM Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826269262 607751390 /nfs/dbraw/zinc/75/13/90/607751390.db2.gz GLVYZXHEMWUHPQ-CYBMUJFWSA-N -1 3 365.441 3.134 20 0 FGADHM Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826269262 607751391 /nfs/dbraw/zinc/75/13/91/607751391.db2.gz GLVYZXHEMWUHPQ-CYBMUJFWSA-N -1 3 365.441 3.134 20 0 FGADHM O=C([O-])N1CCC[C@H]1C1CCN(Cc2c[nH]nc2-c2cccs2)CC1 ZINC000834111096 605496234 /nfs/dbraw/zinc/49/62/34/605496234.db2.gz ZKQNSVPBHWQBDF-HNNXBMFYSA-N -1 3 360.483 3.493 20 0 FGADHM Cc1cc(C(=O)N(CCN(C)C)Cc2ccccc2)ccc1NC(=O)[O-] ZINC000829919335 605583959 /nfs/dbraw/zinc/58/39/59/605583959.db2.gz JHVVGYDACNVPGI-UHFFFAOYSA-N -1 3 355.438 3.289 20 0 FGADHM O=C([O-])N1CC[C@@]2(C1)C[C@H](NCCc1ccccc1O)c1ccccc1O2 ZINC000834085177 605637203 /nfs/dbraw/zinc/63/72/03/605637203.db2.gz KWTVISBMKPFAIE-UWJYYQICSA-N -1 3 368.433 3.171 20 0 FGADHM O=C([O-])NCCCOC1CCN([C@H]2CCc3c2cccc3Cl)CC1 ZINC000834239019 605875317 /nfs/dbraw/zinc/87/53/17/605875317.db2.gz WBPYJLXDHMWMBR-KRWDZBQOSA-N -1 3 352.862 3.466 20 0 FGADHM c1nn(-c2ccccc2)cc1CNc1nc2ccccc2cc1-c1nnn[n-]1 ZINC000823773563 606035852 /nfs/dbraw/zinc/03/58/52/606035852.db2.gz VXVAAMBOTWXJET-UHFFFAOYSA-N -1 3 368.404 3.213 20 0 FGADHM c1nn(-c2ccccc2)cc1CNc1nc2ccccc2cc1-c1nn[n-]n1 ZINC000823773563 606035857 /nfs/dbraw/zinc/03/58/57/606035857.db2.gz VXVAAMBOTWXJET-UHFFFAOYSA-N -1 3 368.404 3.213 20 0 FGADHM CCc1ccc(O)c(NC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821487822 606055568 /nfs/dbraw/zinc/05/55/68/606055568.db2.gz YLYFVZKQIWGZKU-UHFFFAOYSA-N -1 3 369.450 3.007 20 0 FGADHM CCc1ccc(O)c(NC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821487822 606055573 /nfs/dbraw/zinc/05/55/73/606055573.db2.gz YLYFVZKQIWGZKU-UHFFFAOYSA-N -1 3 369.450 3.007 20 0 FGADHM Fc1cc(F)c2ncc(-c3nnn[n-]3)c(N3C[C@H]4CCCC[C@@H]4C3)c2c1 ZINC000822753481 606106304 /nfs/dbraw/zinc/10/63/04/606106304.db2.gz NUHIQZVMJFTKOK-GHMZBOCLSA-N -1 3 356.380 3.320 20 0 FGADHM Fc1cc(F)c2ncc(-c3nn[n-]n3)c(N3C[C@H]4CCCC[C@@H]4C3)c2c1 ZINC000822753481 606106306 /nfs/dbraw/zinc/10/63/06/606106306.db2.gz NUHIQZVMJFTKOK-GHMZBOCLSA-N -1 3 356.380 3.320 20 0 FGADHM Fc1ccc(F)c2c1ncc(-c1nnn[n-]1)c2N1C[C@@H]2CCCC[C@@H]2C1 ZINC000822773957 606106338 /nfs/dbraw/zinc/10/63/38/606106338.db2.gz CIILLGNFGYQHDV-PHIMTYICSA-N -1 3 356.380 3.320 20 0 FGADHM Fc1ccc(F)c2c1ncc(-c1nn[n-]n1)c2N1C[C@@H]2CCCC[C@@H]2C1 ZINC000822773957 606106340 /nfs/dbraw/zinc/10/63/40/606106340.db2.gz CIILLGNFGYQHDV-PHIMTYICSA-N -1 3 356.380 3.320 20 0 FGADHM CCc1ccc(C(C)(C)C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000821476353 606113493 /nfs/dbraw/zinc/11/34/93/606113493.db2.gz MWXGYCDEAPWPND-UHFFFAOYSA-N -1 3 367.428 3.162 20 0 FGADHM CCc1ccc(C(C)(C)C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000821476353 606113496 /nfs/dbraw/zinc/11/34/96/606113496.db2.gz MWXGYCDEAPWPND-UHFFFAOYSA-N -1 3 367.428 3.162 20 0 FGADHM COc1cc(F)c([C@H](C)OC(=O)c2ccc(-c3nnn[n-]3)cc2)c(F)c1 ZINC000821719715 606131266 /nfs/dbraw/zinc/13/12/66/606131266.db2.gz IDNRUMZNSXBYEG-VIFPVBQESA-N -1 3 360.320 3.072 20 0 FGADHM COc1cc(F)c([C@H](C)OC(=O)c2ccc(-c3nn[n-]n3)cc2)c(F)c1 ZINC000821719715 606131267 /nfs/dbraw/zinc/13/12/67/606131267.db2.gz IDNRUMZNSXBYEG-VIFPVBQESA-N -1 3 360.320 3.072 20 0 FGADHM CC[C@@H](Oc1ccccc1C)C(=O)OCc1ccc(-c2nnn[n-]2)cc1F ZINC000820939654 606148246 /nfs/dbraw/zinc/14/82/46/606148246.db2.gz WYQOMNDONHFUTQ-MRXNPFEDSA-N -1 3 370.384 3.215 20 0 FGADHM CC[C@@H](Oc1ccccc1C)C(=O)OCc1ccc(-c2nn[n-]n2)cc1F ZINC000820939654 606148248 /nfs/dbraw/zinc/14/82/48/606148248.db2.gz WYQOMNDONHFUTQ-MRXNPFEDSA-N -1 3 370.384 3.215 20 0 FGADHM O=C(C/C=C/c1cccc(F)c1)OCCOc1cccc(-c2nnn[n-]2)c1 ZINC000822945425 606149473 /nfs/dbraw/zinc/14/94/73/606149473.db2.gz DVTPNZMNWYNPQC-GORDUTHDSA-N -1 3 368.368 3.031 20 0 FGADHM O=C(C/C=C/c1cccc(F)c1)OCCOc1cccc(-c2nn[n-]n2)c1 ZINC000822945425 606149474 /nfs/dbraw/zinc/14/94/74/606149474.db2.gz DVTPNZMNWYNPQC-GORDUTHDSA-N -1 3 368.368 3.031 20 0 FGADHM O=C(C/C=C/c1cccc(F)c1)OCCOc1ccccc1-c1nnn[n-]1 ZINC000822945350 606149600 /nfs/dbraw/zinc/14/96/00/606149600.db2.gz BSPKNPIKXKBITP-GQCTYLIASA-N -1 3 368.368 3.031 20 0 FGADHM O=C(C/C=C/c1cccc(F)c1)OCCOc1ccccc1-c1nn[n-]n1 ZINC000822945350 606149602 /nfs/dbraw/zinc/14/96/02/606149602.db2.gz BSPKNPIKXKBITP-GQCTYLIASA-N -1 3 368.368 3.031 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CO[C@@H]1CCC[C@H](C)C1 ZINC000821122954 606192448 /nfs/dbraw/zinc/19/24/48/606192448.db2.gz DGEMAXUHJBSULH-DZGCQCFKSA-N -1 3 372.473 3.222 20 0 FGADHM CCC1(C(=O)Nc2ncc(Cc3ccc(-c4nnn[n-]4)cc3)s2)CCC1 ZINC000820945364 606218050 /nfs/dbraw/zinc/21/80/50/606218050.db2.gz RTKTXKSTIOGKAU-UHFFFAOYSA-N -1 3 368.466 3.433 20 0 FGADHM CCC1(C(=O)Nc2ncc(Cc3ccc(-c4nn[n-]n4)cc3)s2)CCC1 ZINC000820945364 606218052 /nfs/dbraw/zinc/21/80/52/606218052.db2.gz RTKTXKSTIOGKAU-UHFFFAOYSA-N -1 3 368.466 3.433 20 0 FGADHM C[C@H](c1ccc(Cl)cc1)N(C(=O)c1cc(-c2nnn[n-]2)cn1C)C1CC1 ZINC000820563804 606220102 /nfs/dbraw/zinc/22/01/02/606220102.db2.gz VMUCORMDRRGZII-LLVKDONJSA-N -1 3 370.844 3.224 20 0 FGADHM C[C@H](c1ccc(Cl)cc1)N(C(=O)c1cc(-c2nn[n-]n2)cn1C)C1CC1 ZINC000820563804 606220105 /nfs/dbraw/zinc/22/01/05/606220105.db2.gz VMUCORMDRRGZII-LLVKDONJSA-N -1 3 370.844 3.224 20 0 FGADHM CCN1C(=O)c2ccc(Cl)cc2N[C@H]1c1cc(-c2nnn[n-]2)cs1 ZINC000821241265 606243890 /nfs/dbraw/zinc/24/38/90/606243890.db2.gz LEOFVIQIWOOYFF-CQSZACIVSA-N -1 3 360.830 3.168 20 0 FGADHM CCN1C(=O)c2ccc(Cl)cc2N[C@H]1c1cc(-c2nn[n-]n2)cs1 ZINC000821241265 606243892 /nfs/dbraw/zinc/24/38/92/606243892.db2.gz LEOFVIQIWOOYFF-CQSZACIVSA-N -1 3 360.830 3.168 20 0 FGADHM C[C@@H]1C[C@@H]1CNC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000820668591 606256395 /nfs/dbraw/zinc/25/63/95/606256395.db2.gz VCRVIAOXWKFSIM-TZMCWYRMSA-N -1 3 365.462 3.404 20 0 FGADHM C[C@@H]1C[C@@H]1CNC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000820668591 606256396 /nfs/dbraw/zinc/25/63/96/606256396.db2.gz VCRVIAOXWKFSIM-TZMCWYRMSA-N -1 3 365.462 3.404 20 0 FGADHM Cc1cc(OCC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)ccc1C(C)C ZINC000822210759 606270481 /nfs/dbraw/zinc/27/04/81/606270481.db2.gz PUEDFSPFSGQCGF-UHFFFAOYSA-N -1 3 369.400 3.455 20 0 FGADHM Cc1cc(OCC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)ccc1C(C)C ZINC000822210759 606270483 /nfs/dbraw/zinc/27/04/83/606270483.db2.gz PUEDFSPFSGQCGF-UHFFFAOYSA-N -1 3 369.400 3.455 20 0 FGADHM C[C@@H](C(=O)Nc1ccc(F)cc1-c1nnn[n-]1)c1ccc(Cl)s1 ZINC000819866485 606271229 /nfs/dbraw/zinc/27/12/29/606271229.db2.gz NMHOBUXEDJBQOY-SSDOTTSWSA-N -1 3 351.794 3.463 20 0 FGADHM C[C@@H](C(=O)Nc1ccc(F)cc1-c1nn[n-]n1)c1ccc(Cl)s1 ZINC000819866485 606271231 /nfs/dbraw/zinc/27/12/31/606271231.db2.gz NMHOBUXEDJBQOY-SSDOTTSWSA-N -1 3 351.794 3.463 20 0 FGADHM C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000820642262 606279238 /nfs/dbraw/zinc/27/92/38/606279238.db2.gz HHLXBYGGNUEEFL-BEFAXECRSA-N -1 3 361.449 3.204 20 0 FGADHM C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000820642262 606279239 /nfs/dbraw/zinc/27/92/39/606279239.db2.gz HHLXBYGGNUEEFL-BEFAXECRSA-N -1 3 361.449 3.204 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(OC)cs1 ZINC000821122978 606280365 /nfs/dbraw/zinc/28/03/65/606280365.db2.gz FEKGFQMUIBILKG-UHFFFAOYSA-N -1 3 358.427 3.011 20 0 FGADHM CC(C)=C(C)C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(F)(F)F ZINC000820005484 606281373 /nfs/dbraw/zinc/28/13/73/606281373.db2.gz SCBPNQSGVJITOR-UHFFFAOYSA-N -1 3 353.348 3.114 20 0 FGADHM CC(C)=C(C)C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(F)(F)F ZINC000820005484 606281375 /nfs/dbraw/zinc/28/13/75/606281375.db2.gz SCBPNQSGVJITOR-UHFFFAOYSA-N -1 3 353.348 3.114 20 0 FGADHM CCCCN(C(=O)CNc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000821061513 606294277 /nfs/dbraw/zinc/29/42/77/606294277.db2.gz OZVVCXPVJVURJJ-UHFFFAOYSA-N -1 3 350.426 3.112 20 0 FGADHM CN(Cc1cccnc1)C(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000821615835 606295599 /nfs/dbraw/zinc/29/55/99/606295599.db2.gz QAWPLLODEPOFSR-UHFFFAOYSA-N -1 3 370.416 3.201 20 0 FGADHM CN(Cc1cccnc1)C(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000821615835 606295601 /nfs/dbraw/zinc/29/56/01/606295601.db2.gz QAWPLLODEPOFSR-UHFFFAOYSA-N -1 3 370.416 3.201 20 0 FGADHM Cc1ccc([C@@H](C)NC(=O)CSc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000822229250 606325996 /nfs/dbraw/zinc/32/59/96/606325996.db2.gz PYUPXCCFPZEVLE-CQSZACIVSA-N -1 3 367.478 3.453 20 0 FGADHM Cc1ccc([C@@H](C)NC(=O)CSc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000822229250 606325998 /nfs/dbraw/zinc/32/59/98/606325998.db2.gz PYUPXCCFPZEVLE-CQSZACIVSA-N -1 3 367.478 3.453 20 0 FGADHM O=C(CSc1cccc(-c2nnn[n-]2)c1)Nc1ccc(F)cc1Cl ZINC000823070868 606326448 /nfs/dbraw/zinc/32/64/48/606326448.db2.gz SHBLDQMIDSCDGY-UHFFFAOYSA-N -1 3 363.805 3.390 20 0 FGADHM O=C(CSc1cccc(-c2nn[n-]n2)c1)Nc1ccc(F)cc1Cl ZINC000823070868 606326449 /nfs/dbraw/zinc/32/64/49/606326449.db2.gz SHBLDQMIDSCDGY-UHFFFAOYSA-N -1 3 363.805 3.390 20 0 FGADHM Cc1nc(C)c(C(=O)N(Cc2ccccc2)c2ccccc2-c2nnn[n-]2)o1 ZINC000822427406 606336301 /nfs/dbraw/zinc/33/63/01/606336301.db2.gz MMGMUCFMIGGQHD-UHFFFAOYSA-N -1 3 374.404 3.319 20 0 FGADHM Cc1nc(C)c(C(=O)N(Cc2ccccc2)c2ccccc2-c2nn[n-]n2)o1 ZINC000822427406 606336303 /nfs/dbraw/zinc/33/63/03/606336303.db2.gz MMGMUCFMIGGQHD-UHFFFAOYSA-N -1 3 374.404 3.319 20 0 FGADHM C[C@H](OC(=O)C(=O)c1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820481117 606346938 /nfs/dbraw/zinc/34/69/38/606346938.db2.gz SWWWVXUDXUJXGT-JTQLQIEISA-N -1 3 356.769 3.007 20 0 FGADHM C[C@H](OC(=O)C(=O)c1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820481117 606346940 /nfs/dbraw/zinc/34/69/40/606346940.db2.gz SWWWVXUDXUJXGT-JTQLQIEISA-N -1 3 356.769 3.007 20 0 FGADHM C[C@@H](OC(=O)C[C@H]1CCOc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000820488357 606347731 /nfs/dbraw/zinc/34/77/31/606347731.db2.gz MYRDZMVHNSZYQJ-CZUORRHYSA-N -1 3 364.405 3.427 20 0 FGADHM C[C@@H](OC(=O)C[C@H]1CCOc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000820488357 606347733 /nfs/dbraw/zinc/34/77/33/606347733.db2.gz MYRDZMVHNSZYQJ-CZUORRHYSA-N -1 3 364.405 3.427 20 0 FGADHM Cc1cnn(-c2ccc(C(=O)O[C@@H](C)c3ccc(-c4nnn[n-]4)cc3)cc2)c1 ZINC000822399658 606350473 /nfs/dbraw/zinc/35/04/73/606350473.db2.gz MFJSHKBRWHZEJB-AWEZNQCLSA-N -1 3 374.404 3.279 20 0 FGADHM Cc1cnn(-c2ccc(C(=O)O[C@@H](C)c3ccc(-c4nn[n-]n4)cc3)cc2)c1 ZINC000822399658 606350474 /nfs/dbraw/zinc/35/04/74/606350474.db2.gz MFJSHKBRWHZEJB-AWEZNQCLSA-N -1 3 374.404 3.279 20 0 FGADHM C[C@@H](OC(=O)[C@H](C)Oc1ccc(F)c(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820534241 606353008 /nfs/dbraw/zinc/35/30/08/606353008.db2.gz KLIHNMZELUUVIX-MNOVXSKESA-N -1 3 374.347 3.217 20 0 FGADHM C[C@@H](OC(=O)[C@H](C)Oc1ccc(F)c(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820534241 606353010 /nfs/dbraw/zinc/35/30/10/606353010.db2.gz KLIHNMZELUUVIX-MNOVXSKESA-N -1 3 374.347 3.217 20 0 FGADHM CCOc1ccc(CSc2nc3c(cc2-c2nnn[n-]2)CCCC3)nc1 ZINC000821422012 606360927 /nfs/dbraw/zinc/36/09/27/606360927.db2.gz JWFIEVZQDKTXDL-UHFFFAOYSA-N -1 3 368.466 3.227 20 0 FGADHM CCOc1ccc(CSc2nc3c(cc2-c2nn[n-]n2)CCCC3)nc1 ZINC000821422012 606360928 /nfs/dbraw/zinc/36/09/28/606360928.db2.gz JWFIEVZQDKTXDL-UHFFFAOYSA-N -1 3 368.466 3.227 20 0 FGADHM Cc1cc(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)c(F)cc1F ZINC000822168843 606361122 /nfs/dbraw/zinc/36/11/22/606361122.db2.gz SYWHNIDFLTZMPE-UHFFFAOYSA-N -1 3 369.375 3.258 20 0 FGADHM Cc1cc(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)c(F)cc1F ZINC000822168843 606361123 /nfs/dbraw/zinc/36/11/23/606361123.db2.gz SYWHNIDFLTZMPE-UHFFFAOYSA-N -1 3 369.375 3.258 20 0 FGADHM O=C(Oc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1)[C@H]1CCCS1 ZINC000823453827 606361703 /nfs/dbraw/zinc/36/17/03/606361703.db2.gz AWNNSGSYYSQQIB-MRXNPFEDSA-N -1 3 368.418 3.460 20 0 FGADHM O=C(Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)[C@H]1CCCS1 ZINC000823453827 606361704 /nfs/dbraw/zinc/36/17/04/606361704.db2.gz AWNNSGSYYSQQIB-MRXNPFEDSA-N -1 3 368.418 3.460 20 0 FGADHM O=C(OCCCc1ccc(C(F)(F)F)cc1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823405321 606381770 /nfs/dbraw/zinc/38/17/70/606381770.db2.gz OLVHWOHLFHXWDS-UHFFFAOYSA-N -1 3 365.315 3.003 20 0 FGADHM O=C(OCCCc1ccc(C(F)(F)F)cc1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823405321 606381772 /nfs/dbraw/zinc/38/17/72/606381772.db2.gz OLVHWOHLFHXWDS-UHFFFAOYSA-N -1 3 365.315 3.003 20 0 FGADHM C[C@@H]1CN(c2c(-c3nnn[n-]3)cnc3ccc(OC(F)F)cc32)C[C@H]1C ZINC000820766190 606417539 /nfs/dbraw/zinc/41/75/39/606417539.db2.gz AKHKIXMGVQDSFB-NXEZZACHSA-N -1 3 360.368 3.109 20 0 FGADHM C[C@@H]1CN(c2c(-c3nn[n-]n3)cnc3ccc(OC(F)F)cc32)C[C@H]1C ZINC000820766190 606417541 /nfs/dbraw/zinc/41/75/41/606417541.db2.gz AKHKIXMGVQDSFB-NXEZZACHSA-N -1 3 360.368 3.109 20 0 FGADHM C[C@H](Nc1ncccc1-c1nnn[n-]1)[C@H](O)c1c(Cl)cccc1Cl ZINC000820460814 606419442 /nfs/dbraw/zinc/41/94/42/606419442.db2.gz CBTNZQSGZVSODE-SDBXPKJASA-N -1 3 365.224 3.103 20 0 FGADHM C[C@H](Nc1ncccc1-c1nn[n-]n1)[C@H](O)c1c(Cl)cccc1Cl ZINC000820460814 606419444 /nfs/dbraw/zinc/41/94/44/606419444.db2.gz CBTNZQSGZVSODE-SDBXPKJASA-N -1 3 365.224 3.103 20 0 FGADHM CCCCOCCOCc1cccc(Nc2ncccc2-c2nnn[n-]2)c1 ZINC000821077369 606430648 /nfs/dbraw/zinc/43/06/48/606430648.db2.gz CNIUMKPYBWQEMA-UHFFFAOYSA-N -1 3 368.441 3.339 20 0 FGADHM CCCCOCCOCc1cccc(Nc2ncccc2-c2nn[n-]n2)c1 ZINC000821077369 606430650 /nfs/dbraw/zinc/43/06/50/606430650.db2.gz CNIUMKPYBWQEMA-UHFFFAOYSA-N -1 3 368.441 3.339 20 0 FGADHM Cc1cc(Nc2ncccc2-c2nnn[n-]2)ccc1OCC(F)(F)F ZINC000822210679 606433206 /nfs/dbraw/zinc/43/32/06/606433206.db2.gz MVRRKPSGOAUJEF-UHFFFAOYSA-N -1 3 350.304 3.255 20 0 FGADHM Cc1cc(Nc2ncccc2-c2nn[n-]n2)ccc1OCC(F)(F)F ZINC000822210679 606433207 /nfs/dbraw/zinc/43/32/07/606433207.db2.gz MVRRKPSGOAUJEF-UHFFFAOYSA-N -1 3 350.304 3.255 20 0 FGADHM CCc1ccccc1NC(=O)CN(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821497581 606439814 /nfs/dbraw/zinc/43/98/14/606439814.db2.gz WNPMNLZBSATEFS-UHFFFAOYSA-N -1 3 370.844 3.157 20 0 FGADHM CCc1ccccc1NC(=O)CN(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821497581 606439815 /nfs/dbraw/zinc/43/98/15/606439815.db2.gz WNPMNLZBSATEFS-UHFFFAOYSA-N -1 3 370.844 3.157 20 0 FGADHM CCCOc1ccc(COC(=O)c2cc(-c3nnn[n-]3)cs2)cc1OC ZINC000821133961 606463019 /nfs/dbraw/zinc/46/30/19/606463019.db2.gz JYJGIYKEACHYPW-UHFFFAOYSA-N -1 3 374.422 3.083 20 0 FGADHM CCCOc1ccc(COC(=O)c2cc(-c3nn[n-]n3)cs2)cc1OC ZINC000821133961 606463020 /nfs/dbraw/zinc/46/30/20/606463020.db2.gz JYJGIYKEACHYPW-UHFFFAOYSA-N -1 3 374.422 3.083 20 0 FGADHM CC1CCN(c2ccc(NC(=O)c3cc(-c4nnn[n-]4)cs3)cc2)CC1 ZINC000820727294 606483463 /nfs/dbraw/zinc/48/34/63/606483463.db2.gz KJAXWDXRGGQYEY-UHFFFAOYSA-N -1 3 368.466 3.417 20 0 FGADHM CC1CCN(c2ccc(NC(=O)c3cc(-c4nn[n-]n4)cs3)cc2)CC1 ZINC000820727294 606483464 /nfs/dbraw/zinc/48/34/64/606483464.db2.gz KJAXWDXRGGQYEY-UHFFFAOYSA-N -1 3 368.466 3.417 20 0 FGADHM O=C(NC[C@@H]1SCCc2ccccc21)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000823182950 606486265 /nfs/dbraw/zinc/48/62/65/606486265.db2.gz QMNVHPZDZVXKCY-INIZCTEOSA-N -1 3 366.450 3.019 20 0 FGADHM O=C(NC[C@@H]1SCCc2ccccc21)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000823182950 606486266 /nfs/dbraw/zinc/48/62/66/606486266.db2.gz QMNVHPZDZVXKCY-INIZCTEOSA-N -1 3 366.450 3.019 20 0 FGADHM Cc1ccc(NC(=O)Cc2cccc(-c3nnn[n-]3)c2)c(Br)c1 ZINC000822248897 606489509 /nfs/dbraw/zinc/48/95/09/606489509.db2.gz SKGOPWMXYKICIF-UHFFFAOYSA-N -1 3 372.226 3.119 20 0 FGADHM Cc1ccc(NC(=O)Cc2cccc(-c3nn[n-]n3)c2)c(Br)c1 ZINC000822248897 606489511 /nfs/dbraw/zinc/48/95/11/606489511.db2.gz SKGOPWMXYKICIF-UHFFFAOYSA-N -1 3 372.226 3.119 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1ccccc1N1CCCCC1 ZINC000823108152 606489883 /nfs/dbraw/zinc/48/98/83/606489883.db2.gz KKXFNEYHRCNKIZ-UHFFFAOYSA-N -1 3 362.437 3.038 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1ccccc1N1CCCCC1 ZINC000823108152 606489884 /nfs/dbraw/zinc/48/98/84/606489884.db2.gz KKXFNEYHRCNKIZ-UHFFFAOYSA-N -1 3 362.437 3.038 20 0 FGADHM CC(C)(C)c1cc(NC(=O)c2cc(-c3nnn[n-]3)cs2)n(C(C)(C)C)n1 ZINC000819958997 606496793 /nfs/dbraw/zinc/49/67/93/606496793.db2.gz TYDDWBNVNGMSNV-UHFFFAOYSA-N -1 3 373.486 3.430 20 0 FGADHM CC(C)(C)c1cc(NC(=O)c2cc(-c3nn[n-]n3)cs2)n(C(C)(C)C)n1 ZINC000819958997 606496795 /nfs/dbraw/zinc/49/67/95/606496795.db2.gz TYDDWBNVNGMSNV-UHFFFAOYSA-N -1 3 373.486 3.430 20 0 FGADHM O=C(Nc1ccc(-n2cccn2)c(Cl)c1)c1cc(-c2nnn[n-]2)cs1 ZINC000823323589 606506429 /nfs/dbraw/zinc/50/64/29/606506429.db2.gz VHQQEJLTRHRBAG-UHFFFAOYSA-N -1 3 371.813 3.020 20 0 FGADHM O=C(Nc1ccc(-n2cccn2)c(Cl)c1)c1cc(-c2nn[n-]n2)cs1 ZINC000823323589 606506431 /nfs/dbraw/zinc/50/64/31/606506431.db2.gz VHQQEJLTRHRBAG-UHFFFAOYSA-N -1 3 371.813 3.020 20 0 FGADHM Cc1c(Cl)ccc2c1N(C(=O)c1cc(-c3nnn[n-]3)cs1)CCC2 ZINC000822035318 606514597 /nfs/dbraw/zinc/51/45/97/606514597.db2.gz SISDHDMPPYFWBU-UHFFFAOYSA-N -1 3 359.842 3.483 20 0 FGADHM Cc1c(Cl)ccc2c1N(C(=O)c1cc(-c3nn[n-]n3)cs1)CCC2 ZINC000822035318 606514598 /nfs/dbraw/zinc/51/45/98/606514598.db2.gz SISDHDMPPYFWBU-UHFFFAOYSA-N -1 3 359.842 3.483 20 0 FGADHM CC(=Cc1ccc(F)cc1)C(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000819766407 606522796 /nfs/dbraw/zinc/52/27/96/606522796.db2.gz YHNHXSDLEQVIAX-JLHYYAGUSA-N -1 3 351.385 3.068 20 0 FGADHM CC(=Cc1ccc(F)cc1)C(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000819766407 606522797 /nfs/dbraw/zinc/52/27/97/606522797.db2.gz YHNHXSDLEQVIAX-JLHYYAGUSA-N -1 3 351.385 3.068 20 0 FGADHM C[C@@H](NC(=O)N[C@@H](C)c1ccc(F)cc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000820372535 606528975 /nfs/dbraw/zinc/52/89/75/606528975.db2.gz ALNZNQNFECGIQE-MNOVXSKESA-N -1 3 372.379 3.266 20 0 FGADHM C[C@@H](NC(=O)N[C@@H](C)c1ccc(F)cc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000820372535 606528977 /nfs/dbraw/zinc/52/89/77/606528977.db2.gz ALNZNQNFECGIQE-MNOVXSKESA-N -1 3 372.379 3.266 20 0 FGADHM O=C(c1cc(-c2nnn[n-]2)cs1)N1CCC(Cc2cccc(F)c2)CC1 ZINC000823467411 606537700 /nfs/dbraw/zinc/53/77/00/606537700.db2.gz WCWWKYGKFWVEIV-UHFFFAOYSA-N -1 3 371.441 3.162 20 0 FGADHM O=C(c1cc(-c2nn[n-]n2)cs1)N1CCC(Cc2cccc(F)c2)CC1 ZINC000823467411 606537701 /nfs/dbraw/zinc/53/77/01/606537701.db2.gz WCWWKYGKFWVEIV-UHFFFAOYSA-N -1 3 371.441 3.162 20 0 FGADHM Cc1cccc(CC(=O)OCc2ccc(-c3nnn[n-]3)cc2OC(F)F)c1 ZINC000822299518 606559534 /nfs/dbraw/zinc/55/95/34/606559534.db2.gz LLRPQVSCQZXCKP-UHFFFAOYSA-N -1 3 374.347 3.062 20 0 FGADHM Cc1cccc(CC(=O)OCc2ccc(-c3nn[n-]n3)cc2OC(F)F)c1 ZINC000822299518 606559535 /nfs/dbraw/zinc/55/95/35/606559535.db2.gz LLRPQVSCQZXCKP-UHFFFAOYSA-N -1 3 374.347 3.062 20 0 FGADHM Cc1ccc([C@H]2CCCCN2C(=O)Cc2cccc(-c3nnn[n-]3)c2)o1 ZINC000822233608 606571963 /nfs/dbraw/zinc/57/19/63/606571963.db2.gz RWJHEAZZAIOJAZ-MRXNPFEDSA-N -1 3 351.410 3.064 20 0 FGADHM Cc1ccc([C@H]2CCCCN2C(=O)Cc2cccc(-c3nn[n-]n3)c2)o1 ZINC000822233608 606571965 /nfs/dbraw/zinc/57/19/65/606571965.db2.gz RWJHEAZZAIOJAZ-MRXNPFEDSA-N -1 3 351.410 3.064 20 0 FGADHM C[C@@H]1CCCN1C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000820710941 606573170 /nfs/dbraw/zinc/57/31/70/606573170.db2.gz TZQBWUUACYRMAE-GFCCVEGCSA-N -1 3 365.397 3.070 20 0 FGADHM C[C@@H]1CCCN1C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000820710941 606573172 /nfs/dbraw/zinc/57/31/72/606573172.db2.gz TZQBWUUACYRMAE-GFCCVEGCSA-N -1 3 365.397 3.070 20 0 FGADHM Cc1ccc(C(C)(C)CN(C)C(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822227416 606574799 /nfs/dbraw/zinc/57/47/99/606574799.db2.gz HQJRKAZGHUNOFT-UHFFFAOYSA-N -1 3 363.465 3.154 20 0 FGADHM Cc1ccc(C(C)(C)CN(C)C(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822227416 606574801 /nfs/dbraw/zinc/57/48/01/606574801.db2.gz HQJRKAZGHUNOFT-UHFFFAOYSA-N -1 3 363.465 3.154 20 0 FGADHM Fc1ccc(OCc2ccc(-c3nnn[n-]3)cc2OC(F)F)cc1F ZINC000822783146 606589672 /nfs/dbraw/zinc/58/96/72/606589672.db2.gz XHYRIOSNJXZSGK-UHFFFAOYSA-N -1 3 354.263 3.325 20 0 FGADHM Fc1ccc(OCc2ccc(-c3nn[n-]n3)cc2OC(F)F)cc1F ZINC000822783146 606589674 /nfs/dbraw/zinc/58/96/74/606589674.db2.gz XHYRIOSNJXZSGK-UHFFFAOYSA-N -1 3 354.263 3.325 20 0 FGADHM FC(F)Oc1cc(-c2nnn[n-]2)ccc1CSc1ccc(Cl)nn1 ZINC000822732903 606589976 /nfs/dbraw/zinc/58/99/76/606589976.db2.gz OAPBUHDIYUCEBZ-UHFFFAOYSA-N -1 3 370.772 3.204 20 0 FGADHM FC(F)Oc1cc(-c2nn[n-]n2)ccc1CSc1ccc(Cl)nn1 ZINC000822732903 606589978 /nfs/dbraw/zinc/58/99/78/606589978.db2.gz OAPBUHDIYUCEBZ-UHFFFAOYSA-N -1 3 370.772 3.204 20 0 FGADHM CO[C@H](C)c1nc(CNc2cc(Cl)ccc2-c2nnn[n-]2)cs1 ZINC000821674971 606593511 /nfs/dbraw/zinc/59/35/11/606593511.db2.gz AJBSQGSUHKHZOT-MRVPVSSYSA-N -1 3 350.835 3.296 20 0 FGADHM CO[C@H](C)c1nc(CNc2cc(Cl)ccc2-c2nn[n-]n2)cs1 ZINC000821674971 606593512 /nfs/dbraw/zinc/59/35/12/606593512.db2.gz AJBSQGSUHKHZOT-MRVPVSSYSA-N -1 3 350.835 3.296 20 0 FGADHM CO[C@@H](C)c1nc(CNc2cc(-c3nnn[n-]3)c3ccccc3n2)cs1 ZINC000821675991 606593702 /nfs/dbraw/zinc/59/37/02/606593702.db2.gz YMQNWAPLQKENCT-JTQLQIEISA-N -1 3 367.438 3.191 20 0 FGADHM CO[C@@H](C)c1nc(CNc2cc(-c3nn[n-]n3)c3ccccc3n2)cs1 ZINC000821675991 606593703 /nfs/dbraw/zinc/59/37/03/606593703.db2.gz YMQNWAPLQKENCT-JTQLQIEISA-N -1 3 367.438 3.191 20 0 FGADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(N2CCS[C@H]3CCCC[C@@H]32)n1 ZINC000822723303 606594263 /nfs/dbraw/zinc/59/42/63/606594263.db2.gz CXQHHPFMFJSUKL-QWRGUYRKSA-N -1 3 370.404 3.145 20 0 FGADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(N2CCS[C@H]3CCCC[C@@H]32)n1 ZINC000822723303 606594265 /nfs/dbraw/zinc/59/42/65/606594265.db2.gz CXQHHPFMFJSUKL-QWRGUYRKSA-N -1 3 370.404 3.145 20 0 FGADHM C[C@H](C(=O)NCc1cccc(-c2nnn[n-]2)c1)c1ccc2ccccc2c1 ZINC000819864970 606602341 /nfs/dbraw/zinc/60/23/41/606602341.db2.gz ASUGDUSHJHSVRD-AWEZNQCLSA-N -1 3 357.417 3.440 20 0 FGADHM C[C@H](C(=O)NCc1cccc(-c2nn[n-]n2)c1)c1ccc2ccccc2c1 ZINC000819864970 606602342 /nfs/dbraw/zinc/60/23/42/606602342.db2.gz ASUGDUSHJHSVRD-AWEZNQCLSA-N -1 3 357.417 3.440 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N[C@@H](C1CCCCC1)C(F)(F)F ZINC000823092451 606605398 /nfs/dbraw/zinc/60/53/98/606605398.db2.gz FKSCYIVIZDPBRC-HNNXBMFYSA-N -1 3 367.375 3.037 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N[C@@H](C1CCCCC1)C(F)(F)F ZINC000823092451 606605400 /nfs/dbraw/zinc/60/54/00/606605400.db2.gz FKSCYIVIZDPBRC-HNNXBMFYSA-N -1 3 367.375 3.037 20 0 FGADHM CCN(CC)C(=O)[C@@H](C)Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821170011 606614560 /nfs/dbraw/zinc/61/45/60/606614560.db2.gz LMMNQAUAOALHFN-CQSZACIVSA-N -1 3 365.437 3.169 20 0 FGADHM CCN(CC)C(=O)[C@@H](C)Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821170011 606614561 /nfs/dbraw/zinc/61/45/61/606614561.db2.gz LMMNQAUAOALHFN-CQSZACIVSA-N -1 3 365.437 3.169 20 0 FGADHM CC1CC(C(=O)NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)C1 ZINC000820650851 606620090 /nfs/dbraw/zinc/62/00/90/606620090.db2.gz XMUBDNDEQMVDTO-UHFFFAOYSA-N -1 3 353.451 3.258 20 0 FGADHM Clc1ccc(Cc2noc(Cc3cccc(-c4nnn[n-]4)c3)n2)cc1 ZINC000822574215 606620156 /nfs/dbraw/zinc/62/01/56/606620156.db2.gz QQIDOGOVFINWHH-UHFFFAOYSA-N -1 3 352.785 3.085 20 0 FGADHM Clc1ccc(Cc2noc(Cc3cccc(-c4nn[n-]n4)c3)n2)cc1 ZINC000822574215 606620158 /nfs/dbraw/zinc/62/01/58/606620158.db2.gz QQIDOGOVFINWHH-UHFFFAOYSA-N -1 3 352.785 3.085 20 0 FGADHM COc1ccc([C@H](C)CC(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821778342 606626682 /nfs/dbraw/zinc/62/66/82/606626682.db2.gz YRFSGEWHHHKQFD-KGLIPLIRSA-N -1 3 365.437 3.246 20 0 FGADHM COc1ccc([C@H](C)CC(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821778342 606626684 /nfs/dbraw/zinc/62/66/84/606626684.db2.gz YRFSGEWHHHKQFD-KGLIPLIRSA-N -1 3 365.437 3.246 20 0 FGADHM COC(=O)c1ccoc1CSc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000821671316 606629311 /nfs/dbraw/zinc/62/93/11/606629311.db2.gz QWXYJNQMRSLBBB-UHFFFAOYSA-N -1 3 350.787 3.192 20 0 FGADHM COC(=O)c1ccoc1CSc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000821671316 606629315 /nfs/dbraw/zinc/62/93/15/606629315.db2.gz QWXYJNQMRSLBBB-UHFFFAOYSA-N -1 3 350.787 3.192 20 0 FGADHM O=C(CSc1ccc(Cl)cc1-c1nnn[n-]1)N1CCCCCC1 ZINC000823066186 606629859 /nfs/dbraw/zinc/62/98/59/606629859.db2.gz OSXVQDKCSRNZFZ-UHFFFAOYSA-N -1 3 351.863 3.015 20 0 FGADHM O=C(CSc1ccc(Cl)cc1-c1nn[n-]n1)N1CCCCCC1 ZINC000823066186 606629861 /nfs/dbraw/zinc/62/98/61/606629861.db2.gz OSXVQDKCSRNZFZ-UHFFFAOYSA-N -1 3 351.863 3.015 20 0 FGADHM Fc1cc(Cl)cnc1NC1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000822748047 606642936 /nfs/dbraw/zinc/64/29/36/606642936.db2.gz FCKLTHXDTOIACO-UHFFFAOYSA-N -1 3 373.823 3.135 20 0 FGADHM Fc1cc(Cl)cnc1NC1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000822748047 606642937 /nfs/dbraw/zinc/64/29/37/606642937.db2.gz FCKLTHXDTOIACO-UHFFFAOYSA-N -1 3 373.823 3.135 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N(Cc1ccccc1)CC(F)F ZINC000823308487 606656048 /nfs/dbraw/zinc/65/60/48/606656048.db2.gz BTCNMJZIYMZUJV-UHFFFAOYSA-N -1 3 358.352 3.166 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N(Cc1ccccc1)CC(F)F ZINC000823308487 606656049 /nfs/dbraw/zinc/65/60/49/606656049.db2.gz BTCNMJZIYMZUJV-UHFFFAOYSA-N -1 3 358.352 3.166 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@@H]2CCC[C@@H]21 ZINC000821406987 606657521 /nfs/dbraw/zinc/65/75/21/606657521.db2.gz MXLDODIPXYDLAF-WFASDCNBSA-N -1 3 356.430 3.062 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@@H]2CCC[C@@H]21 ZINC000821406987 606657522 /nfs/dbraw/zinc/65/75/22/606657522.db2.gz MXLDODIPXYDLAF-WFASDCNBSA-N -1 3 356.430 3.062 20 0 FGADHM O[C@@H]1CCCC[C@@H]1Oc1ccc(NCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000823705106 606657710 /nfs/dbraw/zinc/65/77/10/606657710.db2.gz FOEKWZWEWYTBMT-MOPGFXCFSA-N -1 3 365.437 3.161 20 0 FGADHM O[C@@H]1CCCC[C@@H]1Oc1ccc(NCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000823705106 606657711 /nfs/dbraw/zinc/65/77/11/606657711.db2.gz FOEKWZWEWYTBMT-MOPGFXCFSA-N -1 3 365.437 3.161 20 0 FGADHM O[C@@H]1CCCC[C@@H]1Oc1ccc(NCc2ccc(-c3nnn[n-]3)s2)cc1 ZINC000823706742 606657756 /nfs/dbraw/zinc/65/77/56/606657756.db2.gz OHIPXGWKHPILRF-CVEARBPZSA-N -1 3 371.466 3.223 20 0 FGADHM O=C(c1sccc1-c1nnn[n-]1)N1CCCCC[C@H]1[C@H]1CCCCC1=O ZINC000823524751 606659579 /nfs/dbraw/zinc/65/95/79/606659579.db2.gz BNLDHGYFFKXMJB-OCCSQVGLSA-N -1 3 373.482 3.072 20 0 FGADHM O=C(c1sccc1-c1nn[n-]n1)N1CCCCC[C@H]1[C@H]1CCCCC1=O ZINC000823524751 606659580 /nfs/dbraw/zinc/65/95/80/606659580.db2.gz BNLDHGYFFKXMJB-OCCSQVGLSA-N -1 3 373.482 3.072 20 0 FGADHM CC(C)c1ccc(CCNC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1 ZINC000820192538 606661988 /nfs/dbraw/zinc/66/19/88/606661988.db2.gz SJPYAKLILKKINY-UHFFFAOYSA-N -1 3 371.391 3.241 20 0 FGADHM CC(C)c1ccc(CCNC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1 ZINC000820192538 606661989 /nfs/dbraw/zinc/66/19/89/606661989.db2.gz SJPYAKLILKKINY-UHFFFAOYSA-N -1 3 371.391 3.241 20 0 FGADHM CCN(C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1cc(C)cc(C)c1 ZINC000821155360 606671049 /nfs/dbraw/zinc/67/10/49/606671049.db2.gz YNOJYYAHJFQOOI-UHFFFAOYSA-N -1 3 357.364 3.428 20 0 FGADHM CCN(C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1cc(C)cc(C)c1 ZINC000821155360 606671050 /nfs/dbraw/zinc/67/10/50/606671050.db2.gz YNOJYYAHJFQOOI-UHFFFAOYSA-N -1 3 357.364 3.428 20 0 FGADHM Cc1cc(F)c2c(c1)CCCN2C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000822203352 606672707 /nfs/dbraw/zinc/67/27/07/606672707.db2.gz PPMGVQJOKXCKSW-UHFFFAOYSA-N -1 3 373.338 3.185 20 0 FGADHM Cc1cc(F)c2c(c1)CCCN2C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000822203352 606672708 /nfs/dbraw/zinc/67/27/08/606672708.db2.gz PPMGVQJOKXCKSW-UHFFFAOYSA-N -1 3 373.338 3.185 20 0 FGADHM Cc1c2ccccc2oc1CNC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000822027806 606680000 /nfs/dbraw/zinc/68/00/00/606680000.db2.gz JNDHYHWDZNRCMP-UHFFFAOYSA-N -1 3 369.331 3.130 20 0 FGADHM Cc1c2ccccc2oc1CNC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000822027806 606680001 /nfs/dbraw/zinc/68/00/01/606680001.db2.gz JNDHYHWDZNRCMP-UHFFFAOYSA-N -1 3 369.331 3.130 20 0 FGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CC[C@H](C(C)C)C1 ZINC000820151268 606696139 /nfs/dbraw/zinc/69/61/39/606696139.db2.gz FMLZUSLBMYYFDN-AWEZNQCLSA-N -1 3 358.446 3.164 20 0 FGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CC[C@H](C(C)C)C1 ZINC000820151268 606696140 /nfs/dbraw/zinc/69/61/40/606696140.db2.gz FMLZUSLBMYYFDN-AWEZNQCLSA-N -1 3 358.446 3.164 20 0 FGADHM CC[C@H]1CCN(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C1 ZINC000820980712 606696967 /nfs/dbraw/zinc/69/69/67/606696967.db2.gz MTMBKQDEPOPPNI-VIFPVBQESA-N -1 3 354.336 3.149 20 0 FGADHM CC[C@H]1CCN(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C1 ZINC000820980712 606696968 /nfs/dbraw/zinc/69/69/68/606696968.db2.gz MTMBKQDEPOPPNI-VIFPVBQESA-N -1 3 354.336 3.149 20 0 FGADHM CC[C@@H]1CCN(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C1 ZINC000820980710 606696988 /nfs/dbraw/zinc/69/69/88/606696988.db2.gz MTMBKQDEPOPPNI-SECBINFHSA-N -1 3 354.336 3.149 20 0 FGADHM CC[C@@H]1CCN(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C1 ZINC000820980710 606696989 /nfs/dbraw/zinc/69/69/89/606696989.db2.gz MTMBKQDEPOPPNI-SECBINFHSA-N -1 3 354.336 3.149 20 0 FGADHM Cc1cc(O)c(C(C)C)cc1NC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000822210652 606702489 /nfs/dbraw/zinc/70/24/89/606702489.db2.gz LQQQQVLXBRCJMX-UHFFFAOYSA-N -1 3 367.409 3.022 20 0 FGADHM COCCC1(CNc2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)CCC1 ZINC000821687223 606723116 /nfs/dbraw/zinc/72/31/16/606723116.db2.gz UOKFEEJHHCEARC-UHFFFAOYSA-N -1 3 374.395 3.312 20 0 FGADHM COCCC1(CNc2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)CCC1 ZINC000821687223 606723117 /nfs/dbraw/zinc/72/31/17/606723117.db2.gz UOKFEEJHHCEARC-UHFFFAOYSA-N -1 3 374.395 3.312 20 0 FGADHM CCO[C@H](CC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C(C)C ZINC000821351912 606735133 /nfs/dbraw/zinc/73/51/33/606735133.db2.gz XCVQYOUGNFLORF-CYBMUJFWSA-N -1 3 371.363 3.275 20 0 FGADHM CCO[C@H](CC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C(C)C ZINC000821351912 606735134 /nfs/dbraw/zinc/73/51/34/606735134.db2.gz XCVQYOUGNFLORF-CYBMUJFWSA-N -1 3 371.363 3.275 20 0 FGADHM CC(C)CC[C@H]1CCCCN1C(=O)COc1ccccc1-c1nnn[n-]1 ZINC000820072346 606746390 /nfs/dbraw/zinc/74/63/90/606746390.db2.gz GKXLHAYVNZMEQO-OAHLLOKOSA-N -1 3 357.458 3.063 20 0 FGADHM CC(C)CC[C@H]1CCCCN1C(=O)COc1ccccc1-c1nn[n-]n1 ZINC000820072346 606746392 /nfs/dbraw/zinc/74/63/92/606746392.db2.gz GKXLHAYVNZMEQO-OAHLLOKOSA-N -1 3 357.458 3.063 20 0 FGADHM O=C(OCc1cccc(Cl)c1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823431564 606747256 /nfs/dbraw/zinc/74/72/56/606747256.db2.gz RUVCPXSCNQWCLC-UHFFFAOYSA-N -1 3 350.712 3.155 20 0 FGADHM O=C(OCc1cccc(Cl)c1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823431564 606747258 /nfs/dbraw/zinc/74/72/58/606747258.db2.gz RUVCPXSCNQWCLC-UHFFFAOYSA-N -1 3 350.712 3.155 20 0 FGADHM CC(C)Oc1cccc(COC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c1 ZINC000820178731 606748660 /nfs/dbraw/zinc/74/86/60/606748660.db2.gz ZJADSBATFFMDTH-UHFFFAOYSA-N -1 3 374.347 3.289 20 0 FGADHM CC(C)Oc1cccc(COC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c1 ZINC000820178731 606748661 /nfs/dbraw/zinc/74/86/61/606748661.db2.gz ZJADSBATFFMDTH-UHFFFAOYSA-N -1 3 374.347 3.289 20 0 FGADHM CC(C)C[C@H](OC(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1ccccn1 ZINC000820063154 606763956 /nfs/dbraw/zinc/76/39/56/606763956.db2.gz RRNBEURPGAEUOB-KRWDZBQOSA-N -1 3 351.410 3.135 20 0 FGADHM CC(C)C[C@H](OC(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1ccccn1 ZINC000820063154 606763958 /nfs/dbraw/zinc/76/39/58/606763958.db2.gz RRNBEURPGAEUOB-KRWDZBQOSA-N -1 3 351.410 3.135 20 0 FGADHM COc1c(F)cc(F)cc1NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821698415 606774294 /nfs/dbraw/zinc/77/42/94/606774294.db2.gz JFQVYXABRPDLCE-VIFPVBQESA-N -1 3 374.351 3.036 20 0 FGADHM COc1c(F)cc(F)cc1NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821698415 606774295 /nfs/dbraw/zinc/77/42/95/606774295.db2.gz JFQVYXABRPDLCE-VIFPVBQESA-N -1 3 374.351 3.036 20 0 FGADHM Cc1cccc(C)c1NC(=O)COc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000822293874 606780842 /nfs/dbraw/zinc/78/08/42/606780842.db2.gz POJXMJIYLMOXKQ-UHFFFAOYSA-N -1 3 357.801 3.154 20 0 FGADHM Cc1cccc(C)c1NC(=O)COc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000822293874 606780844 /nfs/dbraw/zinc/78/08/44/606780844.db2.gz POJXMJIYLMOXKQ-UHFFFAOYSA-N -1 3 357.801 3.154 20 0 FGADHM Cc1nc(Oc2cc(Cl)ccc2-c2nnn[n-]2)cc(-c2cccnc2)n1 ZINC000822453742 606790249 /nfs/dbraw/zinc/79/02/49/606790249.db2.gz OFOXXQCJZPKWIK-UHFFFAOYSA-N -1 3 365.784 3.473 20 0 FGADHM Cc1nc(Oc2cc(Cl)ccc2-c2nn[n-]n2)cc(-c2cccnc2)n1 ZINC000822453742 606790250 /nfs/dbraw/zinc/79/02/50/606790250.db2.gz OFOXXQCJZPKWIK-UHFFFAOYSA-N -1 3 365.784 3.473 20 0 FGADHM Cc1c2c(nc(S[C@H](C)OC(=O)OC(C)C)c1-c1nnn[n-]1)CCC2 ZINC000822130607 606792635 /nfs/dbraw/zinc/79/26/35/606792635.db2.gz XHIBIFTZGXQYPA-SNVBAGLBSA-N -1 3 363.443 3.059 20 0 FGADHM Cc1c2c(nc(S[C@H](C)OC(=O)OC(C)C)c1-c1nn[n-]n1)CCC2 ZINC000822130607 606792637 /nfs/dbraw/zinc/79/26/37/606792637.db2.gz XHIBIFTZGXQYPA-SNVBAGLBSA-N -1 3 363.443 3.059 20 0 FGADHM Cc1ccc(Cl)c(NC(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822240206 606807730 /nfs/dbraw/zinc/80/77/30/606807730.db2.gz WUQKVTHELPJSFG-UHFFFAOYSA-N -1 3 356.817 3.492 20 0 FGADHM Cc1ccc(Cl)c(NC(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822240206 606807731 /nfs/dbraw/zinc/80/77/31/606807731.db2.gz WUQKVTHELPJSFG-UHFFFAOYSA-N -1 3 356.817 3.492 20 0 FGADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCC2)c1cc(F)cc(Cl)c1 ZINC000823387533 606842631 /nfs/dbraw/zinc/84/26/31/606842631.db2.gz OCSZJYILJJXCRZ-UHFFFAOYSA-N -1 3 363.805 3.462 20 0 FGADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCC2)c1cc(F)cc(Cl)c1 ZINC000823387533 606842633 /nfs/dbraw/zinc/84/26/33/606842633.db2.gz OCSZJYILJJXCRZ-UHFFFAOYSA-N -1 3 363.805 3.462 20 0 FGADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cncc(-c2ccccc2)c1 ZINC000821613407 606861337 /nfs/dbraw/zinc/86/13/37/606861337.db2.gz MNDBVHFMORUZFQ-UHFFFAOYSA-N -1 3 370.416 3.201 20 0 FGADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cncc(-c2ccccc2)c1 ZINC000821613407 606861339 /nfs/dbraw/zinc/86/13/39/606861339.db2.gz MNDBVHFMORUZFQ-UHFFFAOYSA-N -1 3 370.416 3.201 20 0 FGADHM CC[C@H](SC[C@@H](O)COc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000820938863 606874482 /nfs/dbraw/zinc/87/44/82/606874482.db2.gz NXDLRNPWKUOCIJ-WMZOPIPTSA-N -1 3 370.478 3.491 20 0 FGADHM C[C@H]1CC[C@H](C)N1C(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000820684354 606879114 /nfs/dbraw/zinc/87/91/14/606879114.db2.gz OJASCYGWIQRORB-STQMWFEESA-N -1 3 367.409 3.052 20 0 FGADHM CCS[C@H]1CC[C@@H](N(C)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000821446471 606905901 /nfs/dbraw/zinc/90/59/01/606905901.db2.gz AUWGKBBAVRJSGS-NEPJUHHUSA-N -1 3 364.450 3.144 20 0 FGADHM CCS[C@H]1CC[C@@H](N(C)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000821446471 606905902 /nfs/dbraw/zinc/90/59/02/606905902.db2.gz AUWGKBBAVRJSGS-NEPJUHHUSA-N -1 3 364.450 3.144 20 0 FGADHM CC(C)[C@@H]1c2ccccc2CCN1C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820051025 606940831 /nfs/dbraw/zinc/94/08/31/606940831.db2.gz JCTBEXSQDYEJBY-MRXNPFEDSA-N -1 3 353.451 3.324 20 0 FGADHM CC(C)[C@@H]1c2ccccc2CCN1C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820051025 606940832 /nfs/dbraw/zinc/94/08/32/606940832.db2.gz JCTBEXSQDYEJBY-MRXNPFEDSA-N -1 3 353.451 3.324 20 0 FGADHM Cc1ccc2c(c1)[C@H](NC(=O)Nc1ccc(-c3nnn[n-]3)c(Cl)c1)CO2 ZINC000822275409 606948183 /nfs/dbraw/zinc/94/81/83/606948183.db2.gz UJTGZBHCMPEEDK-CQSZACIVSA-N -1 3 370.800 3.084 20 0 FGADHM Cc1ccc2c(c1)[C@H](NC(=O)Nc1ccc(-c3nn[n-]n3)c(Cl)c1)CO2 ZINC000822275409 606948184 /nfs/dbraw/zinc/94/81/84/606948184.db2.gz UJTGZBHCMPEEDK-CQSZACIVSA-N -1 3 370.800 3.084 20 0 FGADHM CC(C)[C@@H]1c2ccccc2CCN1C(=O)c1sccc1-c1nnn[n-]1 ZINC000820051497 606952057 /nfs/dbraw/zinc/95/20/57/606952057.db2.gz PGUBFTKTSAYKLD-OAHLLOKOSA-N -1 3 353.451 3.324 20 0 FGADHM CC(C)[C@@H]1c2ccccc2CCN1C(=O)c1sccc1-c1nn[n-]n1 ZINC000820051497 606952058 /nfs/dbraw/zinc/95/20/58/606952058.db2.gz PGUBFTKTSAYKLD-OAHLLOKOSA-N -1 3 353.451 3.324 20 0 FGADHM Cc1cccc([C@@H](C)OC(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737391189 606952773 /nfs/dbraw/zinc/95/27/73/606952773.db2.gz XJUWIUXSTVNYLW-KGLIPLIRSA-N -1 3 352.394 3.247 20 0 FGADHM Cc1sc(NC(=O)COC/C=C/c2ccccc2)c(-c2nnn[n-]2)c1C ZINC000822562612 606955826 /nfs/dbraw/zinc/95/58/26/606955826.db2.gz CCUAQEVYZJUENS-RMKNXTFCSA-N -1 3 369.450 3.214 20 0 FGADHM Cc1sc(NC(=O)COC/C=C/c2ccccc2)c(-c2nn[n-]n2)c1C ZINC000822562612 606955828 /nfs/dbraw/zinc/95/58/28/606955828.db2.gz CCUAQEVYZJUENS-RMKNXTFCSA-N -1 3 369.450 3.214 20 0 FGADHM CCCCCCOCC(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821056340 606962446 /nfs/dbraw/zinc/96/24/46/606962446.db2.gz OKORRFKVSYUTCU-UHFFFAOYSA-N -1 3 351.838 3.080 20 0 FGADHM CCCCCCOCC(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821056340 606962447 /nfs/dbraw/zinc/96/24/47/606962447.db2.gz OKORRFKVSYUTCU-UHFFFAOYSA-N -1 3 351.838 3.080 20 0 FGADHM Fc1ccc(CN[C@H](c2ccccc2)C(F)(F)F)cc1-c1nnn[n-]1 ZINC000822772409 606966412 /nfs/dbraw/zinc/96/64/12/606966412.db2.gz XRNLJRFMTCKCMX-CQSZACIVSA-N -1 3 351.307 3.399 20 0 FGADHM Fc1ccc(CN[C@H](c2ccccc2)C(F)(F)F)cc1-c1nn[n-]n1 ZINC000822772409 606966413 /nfs/dbraw/zinc/96/64/13/606966413.db2.gz XRNLJRFMTCKCMX-CQSZACIVSA-N -1 3 351.307 3.399 20 0 FGADHM Cc1ccc(F)c(NC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822239959 606986026 /nfs/dbraw/zinc/98/60/26/606986026.db2.gz MKFMDBJDFGKPKT-UHFFFAOYSA-N -1 3 355.373 3.110 20 0 FGADHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc2[nH]ccc2c1 ZINC000820001571 606990145 /nfs/dbraw/zinc/99/01/45/606990145.db2.gz SSRIYJONDNHHCQ-UHFFFAOYSA-N -1 3 362.393 3.144 20 0 FGADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc2[nH]ccc2c1 ZINC000820001571 606990146 /nfs/dbraw/zinc/99/01/46/606990146.db2.gz SSRIYJONDNHHCQ-UHFFFAOYSA-N -1 3 362.393 3.144 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(Cl)cc1F ZINC000823426449 606992658 /nfs/dbraw/zinc/99/26/58/606992658.db2.gz JDEDZTRMSGALOL-UHFFFAOYSA-N -1 3 350.712 3.155 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(Cl)cc1F ZINC000823426449 606992659 /nfs/dbraw/zinc/99/26/59/606992659.db2.gz JDEDZTRMSGALOL-UHFFFAOYSA-N -1 3 350.712 3.155 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)c1cc(Cl)ccc1F ZINC000823422541 606992815 /nfs/dbraw/zinc/99/28/15/606992815.db2.gz VSNRCAVOZBBWGT-UHFFFAOYSA-N -1 3 350.712 3.155 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)c1cc(Cl)ccc1F ZINC000823422541 606992817 /nfs/dbraw/zinc/99/28/17/606992817.db2.gz VSNRCAVOZBBWGT-UHFFFAOYSA-N -1 3 350.712 3.155 20 0 FGADHM Cc1cc(C)cc(OCCC(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000822197489 606993983 /nfs/dbraw/zinc/99/39/83/606993983.db2.gz CJBHEBMVQFPTFM-UHFFFAOYSA-N -1 3 370.384 3.135 20 0 FGADHM Cc1cc(C)cc(OCCC(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000822197489 606993984 /nfs/dbraw/zinc/99/39/84/606993984.db2.gz CJBHEBMVQFPTFM-UHFFFAOYSA-N -1 3 370.384 3.135 20 0 FGADHM C[C@H]1CN(C(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)c2ccccc21 ZINC000820735038 606998344 /nfs/dbraw/zinc/99/83/44/606998344.db2.gz PNPQRZVSFALHOK-ZDUSSCGKSA-N -1 3 363.421 3.174 20 0 FGADHM C[C@H]1CN(C(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)c2ccccc21 ZINC000820735038 606998346 /nfs/dbraw/zinc/99/83/46/606998346.db2.gz PNPQRZVSFALHOK-ZDUSSCGKSA-N -1 3 363.421 3.174 20 0 FGADHM Cc1ccc([C@H](C)NC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000822229020 607001512 /nfs/dbraw/zinc/00/15/12/607001512.db2.gz KRMMFNCAKIJVJW-LBPRGKRZSA-N -1 3 371.466 3.271 20 0 FGADHM Cc1ccc([C@H](C)NC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000822229020 607001514 /nfs/dbraw/zinc/00/15/14/607001514.db2.gz KRMMFNCAKIJVJW-LBPRGKRZSA-N -1 3 371.466 3.271 20 0 FGADHM CSc1ccc(NC(=O)CSc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821982735 607010542 /nfs/dbraw/zinc/01/05/42/607010542.db2.gz AANKRIRFFGOTED-UHFFFAOYSA-N -1 3 357.464 3.319 20 0 FGADHM CSc1ccc(NC(=O)CSc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821982735 607010544 /nfs/dbraw/zinc/01/05/44/607010544.db2.gz AANKRIRFFGOTED-UHFFFAOYSA-N -1 3 357.464 3.319 20 0 FGADHM Cc1ccc([C@H](C)NC(=O)COc2cc(-c3nnn[n-]3)ccc2C)cc1C ZINC000822229426 607030147 /nfs/dbraw/zinc/03/01/47/607030147.db2.gz UPTZVDCMAQJPSK-HNNXBMFYSA-N -1 3 365.437 3.048 20 0 FGADHM Cc1ccc([C@H](C)NC(=O)COc2cc(-c3nn[n-]n3)ccc2C)cc1C ZINC000822229426 607030149 /nfs/dbraw/zinc/03/01/49/607030149.db2.gz UPTZVDCMAQJPSK-HNNXBMFYSA-N -1 3 365.437 3.048 20 0 FGADHM CCCC1(C(=O)N2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)CCC1 ZINC000821026947 607036364 /nfs/dbraw/zinc/03/63/64/607036364.db2.gz IIJXKYQQHOOAFC-UHFFFAOYSA-N -1 3 369.469 3.207 20 0 FGADHM CCCC1(C(=O)N2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)CCC1 ZINC000821026947 607036365 /nfs/dbraw/zinc/03/63/65/607036365.db2.gz IIJXKYQQHOOAFC-UHFFFAOYSA-N -1 3 369.469 3.207 20 0 FGADHM CC[C@@H]1CCCN(C(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000820981045 607036417 /nfs/dbraw/zinc/03/64/17/607036417.db2.gz OPYCJDDLMXYNLV-CQSZACIVSA-N -1 3 357.458 3.063 20 0 FGADHM CC[C@@H]1CCCN(C(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000820981045 607036418 /nfs/dbraw/zinc/03/64/18/607036418.db2.gz OPYCJDDLMXYNLV-CQSZACIVSA-N -1 3 357.458 3.063 20 0 FGADHM CC[C@@]1(C)CCCN(C(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820949502 607050239 /nfs/dbraw/zinc/05/02/39/607050239.db2.gz BJYFWBWPRIJKRN-IBGZPJMESA-N -1 3 357.458 3.063 20 0 FGADHM CC[C@@]1(C)CCCN(C(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820949502 607050240 /nfs/dbraw/zinc/05/02/40/607050240.db2.gz BJYFWBWPRIJKRN-IBGZPJMESA-N -1 3 357.458 3.063 20 0 FGADHM CC(C)C[C@H]1CCCN(C(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820068158 607053246 /nfs/dbraw/zinc/05/32/46/607053246.db2.gz OKLUCTWQZSDDCW-LSDHHAIUSA-N -1 3 356.474 3.395 20 0 FGADHM CC(C)C[C@H]1CCCN(C(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820068158 607053249 /nfs/dbraw/zinc/05/32/49/607053249.db2.gz OKLUCTWQZSDDCW-LSDHHAIUSA-N -1 3 356.474 3.395 20 0 FGADHM CCC1(CC)[C@@H](OC)C[C@@H]1N(C)C(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000820955452 607066689 /nfs/dbraw/zinc/06/66/89/607066689.db2.gz CBXZOMYPGNMYPE-HOTGVXAUSA-N -1 3 372.473 3.233 20 0 FGADHM CCC1(CC)[C@@H](OC)C[C@@H]1N(C)C(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000820955452 607066691 /nfs/dbraw/zinc/06/66/91/607066691.db2.gz CBXZOMYPGNMYPE-HOTGVXAUSA-N -1 3 372.473 3.233 20 0 FGADHM CCS[C@@H](C)c1noc(CN(C)[C@H](C)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000821449291 607068508 /nfs/dbraw/zinc/06/85/08/607068508.db2.gz RPYHDLMXDXZZPR-NEPJUHHUSA-N -1 3 373.486 3.257 20 0 FGADHM CCS[C@@H](C)c1noc(CN(C)[C@H](C)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000821449291 607068510 /nfs/dbraw/zinc/06/85/10/607068510.db2.gz RPYHDLMXDXZZPR-NEPJUHHUSA-N -1 3 373.486 3.257 20 0 FGADHM Cc1ccc(C(=O)CCC(=O)OCc2cc(F)ccc2-c2nnn[n-]2)cc1 ZINC000822224963 607072181 /nfs/dbraw/zinc/07/21/81/607072181.db2.gz HTZFQYXMQLHCGL-UHFFFAOYSA-N -1 3 368.368 3.021 20 0 FGADHM Cc1ccc(C(=O)CCC(=O)OCc2cc(F)ccc2-c2nn[n-]n2)cc1 ZINC000822224963 607072182 /nfs/dbraw/zinc/07/21/82/607072182.db2.gz HTZFQYXMQLHCGL-UHFFFAOYSA-N -1 3 368.368 3.021 20 0 FGADHM COc1cccc([C@@H]2CN([C@H](C)c3ccc(-c4nn[n-]n4)cc3)CCO2)c1 ZINC000821862611 607076377 /nfs/dbraw/zinc/07/63/77/607076377.db2.gz DEINFEDYMZYGAU-KUHUBIRLSA-N -1 3 365.437 3.010 20 0 FGADHM CC(C)Cc1nc(C(=O)OCc2cc(F)ccc2-c2nnn[n-]2)cs1 ZINC000820108727 607080275 /nfs/dbraw/zinc/08/02/75/607080275.db2.gz PXCMNNWVJYVWEL-UHFFFAOYSA-N -1 3 361.402 3.018 20 0 FGADHM CC(C)Cc1nc(C(=O)OCc2cc(F)ccc2-c2nn[n-]n2)cs1 ZINC000820108727 607080276 /nfs/dbraw/zinc/08/02/76/607080276.db2.gz PXCMNNWVJYVWEL-UHFFFAOYSA-N -1 3 361.402 3.018 20 0 FGADHM Cc1c([C@H](C)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)nnn1-c1ccccc1 ZINC000822020682 607088532 /nfs/dbraw/zinc/08/85/32/607088532.db2.gz GSDZNGIDLNQNTE-KBPBESRZSA-N -1 3 374.452 3.168 20 0 FGADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(Cl)cc1F ZINC000821304477 607100564 /nfs/dbraw/zinc/10/05/64/607100564.db2.gz GZAALECOVVZDRB-UHFFFAOYSA-N -1 3 360.780 3.343 20 0 FGADHM Cc1c(C)c(C)c(COC(=O)c2ccc(-c3nnn[n-]3)cn2)c(C)c1C ZINC000822020981 607112204 /nfs/dbraw/zinc/11/22/04/607112204.db2.gz PZOVQYDPXHLVEK-UHFFFAOYSA-N -1 3 351.410 3.161 20 0 FGADHM Cc1c(C)c(C)c(COC(=O)c2ccc(-c3nn[n-]n3)cn2)c(C)c1C ZINC000822020981 607112205 /nfs/dbraw/zinc/11/22/05/607112205.db2.gz PZOVQYDPXHLVEK-UHFFFAOYSA-N -1 3 351.410 3.161 20 0 FGADHM C[C@@]1(c2ccccc2)CN(c2c(Cl)cccc2-c2nnn[n-]2)CCO1 ZINC000820635745 607115304 /nfs/dbraw/zinc/11/53/04/607115304.db2.gz MTHSRELCLFKNSC-SFHVURJKSA-N -1 3 355.829 3.272 20 0 FGADHM C[C@@]1(c2ccccc2)CN(c2c(Cl)cccc2-c2nn[n-]n2)CCO1 ZINC000820635745 607115305 /nfs/dbraw/zinc/11/53/05/607115305.db2.gz MTHSRELCLFKNSC-SFHVURJKSA-N -1 3 355.829 3.272 20 0 FGADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(NC[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)n1 ZINC000822723872 607126668 /nfs/dbraw/zinc/12/66/68/607126668.db2.gz RQJMMFXQLSIGRF-GUTXKFCHSA-N -1 3 372.354 3.278 20 0 FGADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(NC[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)n1 ZINC000822723872 607126670 /nfs/dbraw/zinc/12/66/70/607126670.db2.gz RQJMMFXQLSIGRF-GUTXKFCHSA-N -1 3 372.354 3.278 20 0 FGADHM O=C(/C=C\SCc1ccco1)OCc1cc(-c2nnn[n-]2)ccc1F ZINC000822923253 607132402 /nfs/dbraw/zinc/13/24/02/607132402.db2.gz PEHOLMMXNCUFFM-ALCCZGGFSA-N -1 3 360.370 3.089 20 0 FGADHM O=C(/C=C\SCc1ccco1)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000822923253 607132403 /nfs/dbraw/zinc/13/24/03/607132403.db2.gz PEHOLMMXNCUFFM-ALCCZGGFSA-N -1 3 360.370 3.089 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1oc(CC)cc1C ZINC000821104552 607145521 /nfs/dbraw/zinc/14/55/21/607145521.db2.gz IIXMEDOWULFLSL-UHFFFAOYSA-N -1 3 353.426 3.383 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1oc(CC)cc1C ZINC000821104552 607145522 /nfs/dbraw/zinc/14/55/22/607145522.db2.gz IIXMEDOWULFLSL-UHFFFAOYSA-N -1 3 353.426 3.383 20 0 FGADHM Cc1cc(C(=O)Oc2ccc(-c3nnn[n-]3)cc2)c(Br)s1 ZINC000822184247 607145651 /nfs/dbraw/zinc/14/56/51/607145651.db2.gz QAVDUZAIBIRNAK-UHFFFAOYSA-N -1 3 365.212 3.218 20 0 FGADHM Cc1cc(C(=O)Oc2ccc(-c3nn[n-]n3)cc2)c(Br)s1 ZINC000822184247 607145653 /nfs/dbraw/zinc/14/56/53/607145653.db2.gz QAVDUZAIBIRNAK-UHFFFAOYSA-N -1 3 365.212 3.218 20 0 FGADHM CCC[C@@H](C)[C@H]1CCCN1C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000821014389 607152917 /nfs/dbraw/zinc/15/29/17/607152917.db2.gz FXCGNYMJQOQOPF-MLGOLLRUSA-N -1 3 360.437 3.116 20 0 FGADHM CCC[C@@H](C)[C@H]1CCCN1C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000821014389 607152918 /nfs/dbraw/zinc/15/29/18/607152918.db2.gz FXCGNYMJQOQOPF-MLGOLLRUSA-N -1 3 360.437 3.116 20 0 FGADHM Cc1cc(Cl)ccc1NCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000822202105 607165866 /nfs/dbraw/zinc/16/58/66/607165866.db2.gz LCVDBFNTVRMIKG-UHFFFAOYSA-N -1 3 367.800 3.491 20 0 FGADHM Cc1cc(Cl)ccc1NCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822202105 607165868 /nfs/dbraw/zinc/16/58/68/607165868.db2.gz LCVDBFNTVRMIKG-UHFFFAOYSA-N -1 3 367.800 3.491 20 0 FGADHM Cc1cc2oc(=O)cc(COc3ccc(-c4nnn[n-]4)cc3F)c2cc1C ZINC000822212861 607171290 /nfs/dbraw/zinc/17/12/90/607171290.db2.gz KLIOESNSPZNXQK-UHFFFAOYSA-N -1 3 366.352 3.308 20 0 FGADHM Cc1cc2oc(=O)cc(COc3ccc(-c4nn[n-]n4)cc3F)c2cc1C ZINC000822212861 607171291 /nfs/dbraw/zinc/17/12/91/607171291.db2.gz KLIOESNSPZNXQK-UHFFFAOYSA-N -1 3 366.352 3.308 20 0 FGADHM CCSCC[C@@H](C)NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821461206 607196362 /nfs/dbraw/zinc/19/63/62/607196362.db2.gz MKIIFWGJUXOHKV-SECBINFHSA-N -1 3 354.867 3.173 20 0 FGADHM CCSCC[C@@H](C)NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821461206 607196363 /nfs/dbraw/zinc/19/63/63/607196363.db2.gz MKIIFWGJUXOHKV-SECBINFHSA-N -1 3 354.867 3.173 20 0 FGADHM O=C(NCCc1cccc(F)c1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823223981 607197598 /nfs/dbraw/zinc/19/75/98/607197598.db2.gz NINCDNDUUNGWBV-UHFFFAOYSA-N -1 3 360.780 3.023 20 0 FGADHM O=C(NCCc1cccc(F)c1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823223981 607197599 /nfs/dbraw/zinc/19/75/99/607197599.db2.gz NINCDNDUUNGWBV-UHFFFAOYSA-N -1 3 360.780 3.023 20 0 FGADHM FC(F)(F)c1ccc(-c2nnn[n-]2)cc1NCc1ccc2c(c1)OCO2 ZINC000822723827 607226191 /nfs/dbraw/zinc/22/61/91/607226191.db2.gz QFLMUSFICNJGHI-UHFFFAOYSA-N -1 3 363.299 3.226 20 0 FGADHM FC(F)(F)c1ccc(-c2nn[n-]n2)cc1NCc1ccc2c(c1)OCO2 ZINC000822723827 607226192 /nfs/dbraw/zinc/22/61/92/607226192.db2.gz QFLMUSFICNJGHI-UHFFFAOYSA-N -1 3 363.299 3.226 20 0 FGADHM O[C@@H](CNc1cc(-c2nnn[n-]2)ccc1C(F)(F)F)c1ccc(F)cc1 ZINC000823690755 607227995 /nfs/dbraw/zinc/22/79/95/607227995.db2.gz SYVSMTKFDCOYND-AWEZNQCLSA-N -1 3 367.306 3.170 20 0 FGADHM O[C@@H](CNc1cc(-c2nn[n-]n2)ccc1C(F)(F)F)c1ccc(F)cc1 ZINC000823690755 607227996 /nfs/dbraw/zinc/22/79/96/607227996.db2.gz SYVSMTKFDCOYND-AWEZNQCLSA-N -1 3 367.306 3.170 20 0 FGADHM COc1ccccc1[C@@H](NCc1cc(-c2nnn[n-]2)cs1)c1ccco1 ZINC000821882731 607229874 /nfs/dbraw/zinc/22/98/74/607229874.db2.gz JFPASFBQMZQQRB-QGZVFWFLSA-N -1 3 367.434 3.409 20 0 FGADHM COc1ccccc1[C@@H](NCc1cc(-c2nn[n-]n2)cs1)c1ccco1 ZINC000821882731 607229875 /nfs/dbraw/zinc/22/98/75/607229875.db2.gz JFPASFBQMZQQRB-QGZVFWFLSA-N -1 3 367.434 3.409 20 0 FGADHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCCc2ccccc21 ZINC000819992296 607234880 /nfs/dbraw/zinc/23/48/80/607234880.db2.gz VLERTDFXUFJTSZ-UHFFFAOYSA-N -1 3 363.421 3.004 20 0 FGADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCCc2ccccc21 ZINC000819992296 607234881 /nfs/dbraw/zinc/23/48/81/607234881.db2.gz VLERTDFXUFJTSZ-UHFFFAOYSA-N -1 3 363.421 3.004 20 0 FGADHM Cc1cc(C(=O)Nc2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)oc1C ZINC000822183969 607235755 /nfs/dbraw/zinc/23/57/55/607235755.db2.gz MSMGGBLDKKWQNK-UHFFFAOYSA-N -1 3 366.406 3.452 20 0 FGADHM Cc1cc(C(=O)Nc2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)oc1C ZINC000822183969 607235756 /nfs/dbraw/zinc/23/57/56/607235756.db2.gz MSMGGBLDKKWQNK-UHFFFAOYSA-N -1 3 366.406 3.452 20 0 FGADHM Cc1nc(-c2ccco2)ccc1C(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000822424679 607244895 /nfs/dbraw/zinc/24/48/95/607244895.db2.gz ZHDVDZFISGQGQS-UHFFFAOYSA-N -1 3 365.324 3.188 20 0 FGADHM Cc1nc(-c2ccco2)ccc1C(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000822424679 607244896 /nfs/dbraw/zinc/24/48/96/607244896.db2.gz ZHDVDZFISGQGQS-UHFFFAOYSA-N -1 3 365.324 3.188 20 0 FGADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)c1cnc(-c2ccccc2)s1 ZINC000823450995 607245606 /nfs/dbraw/zinc/24/56/06/607245606.db2.gz RMFFYJOKGJZOTK-UHFFFAOYSA-N -1 3 367.365 3.349 20 0 FGADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)c1cnc(-c2ccccc2)s1 ZINC000823450995 607245607 /nfs/dbraw/zinc/24/56/07/607245607.db2.gz RMFFYJOKGJZOTK-UHFFFAOYSA-N -1 3 367.365 3.349 20 0 FGADHM CC[C@@H](Oc1cccc(C)c1)C(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000820939869 607246841 /nfs/dbraw/zinc/24/68/41/607246841.db2.gz ZQYXBHBQQTZKIV-OAHLLOKOSA-N -1 3 356.357 3.077 20 0 FGADHM CC[C@@H](Oc1cccc(C)c1)C(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000820939869 607246842 /nfs/dbraw/zinc/24/68/42/607246842.db2.gz ZQYXBHBQQTZKIV-OAHLLOKOSA-N -1 3 356.357 3.077 20 0 FGADHM C[C@H](SCc1ccccc1)C(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000820549567 607246958 /nfs/dbraw/zinc/24/69/58/607246958.db2.gz OZHBODUOGISRTF-NSHDSACASA-N -1 3 358.398 3.233 20 0 FGADHM C[C@H](SCc1ccccc1)C(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000820549567 607246959 /nfs/dbraw/zinc/24/69/59/607246959.db2.gz OZHBODUOGISRTF-NSHDSACASA-N -1 3 358.398 3.233 20 0 FGADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)c1sccc1Br ZINC000823451054 607247545 /nfs/dbraw/zinc/24/75/45/607247545.db2.gz TXTQAMDICZPNFL-UHFFFAOYSA-N -1 3 369.175 3.049 20 0 FGADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)c1sccc1Br ZINC000823451054 607247544 /nfs/dbraw/zinc/24/75/44/607247544.db2.gz TXTQAMDICZPNFL-UHFFFAOYSA-N -1 3 369.175 3.049 20 0 FGADHM O=C(CCCc1c[nH]c2ccccc12)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000822958717 607248064 /nfs/dbraw/zinc/24/80/64/607248064.db2.gz DDZOINRMFUPSHF-UHFFFAOYSA-N -1 3 365.368 3.415 20 0 FGADHM O=C(CCCc1c[nH]c2ccccc12)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000822958717 607248065 /nfs/dbraw/zinc/24/80/65/607248065.db2.gz DDZOINRMFUPSHF-UHFFFAOYSA-N -1 3 365.368 3.415 20 0 FGADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000823450384 607249219 /nfs/dbraw/zinc/24/92/19/607249219.db2.gz PPOKQWWILQYQTI-QWHCGFSZSA-N -1 3 358.760 3.368 20 0 FGADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000823450384 607249220 /nfs/dbraw/zinc/24/92/20/607249220.db2.gz PPOKQWWILQYQTI-QWHCGFSZSA-N -1 3 358.760 3.368 20 0 FGADHM CC1(C)CCc2ccccc2[C@@H]1NC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000824807239 607774277 /nfs/dbraw/zinc/77/42/77/607774277.db2.gz GUSUSODLHIIGAS-IBGZPJMESA-N -1 3 361.449 3.239 20 0 FGADHM CC1(C)CCc2ccccc2[C@@H]1NC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000824807239 607774278 /nfs/dbraw/zinc/77/42/78/607774278.db2.gz GUSUSODLHIIGAS-IBGZPJMESA-N -1 3 361.449 3.239 20 0 FGADHM C[C@H]1CC[C@H](NC(=O)c2ncc(-c3nnn[n-]3)cc2Cl)c2ccccc21 ZINC000824915404 607780120 /nfs/dbraw/zinc/78/01/20/607780120.db2.gz FLJQTKQXHXUDQY-BONVTDFDSA-N -1 3 368.828 3.284 20 0 FGADHM C[C@H]1CC[C@H](NC(=O)c2ncc(-c3nn[n-]n3)cc2Cl)c2ccccc21 ZINC000824915404 607780121 /nfs/dbraw/zinc/78/01/21/607780121.db2.gz FLJQTKQXHXUDQY-BONVTDFDSA-N -1 3 368.828 3.284 20 0 FGADHM Cc1cccc(OCCCCC(=O)N(C)c2ccccc2-c2nnn[n-]2)c1 ZINC000826299908 607787928 /nfs/dbraw/zinc/78/79/28/607787928.db2.gz ASLVPVOYZQBPEY-UHFFFAOYSA-N -1 3 365.437 3.387 20 0 FGADHM Cc1cccc(OCCCCC(=O)N(C)c2ccccc2-c2nn[n-]n2)c1 ZINC000826299908 607787929 /nfs/dbraw/zinc/78/79/29/607787929.db2.gz ASLVPVOYZQBPEY-UHFFFAOYSA-N -1 3 365.437 3.387 20 0 FGADHM COCC[C@H](OC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000826155605 607791801 /nfs/dbraw/zinc/79/18/01/607791801.db2.gz VTGSCEWDQWHPLX-HNNXBMFYSA-N -1 3 374.347 3.080 20 0 FGADHM COCC[C@H](OC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000826155605 607791802 /nfs/dbraw/zinc/79/18/02/607791802.db2.gz VTGSCEWDQWHPLX-HNNXBMFYSA-N -1 3 374.347 3.080 20 0 FGADHM CC1(c2ccccc2)CCN(C(=O)C=Cc2ccccc2-c2nnn[n-]2)CC1 ZINC000824843137 607795372 /nfs/dbraw/zinc/79/53/72/607795372.db2.gz AGSYRAMRYKOXRQ-VAWYXSNFSA-N -1 3 373.460 3.460 20 0 FGADHM CC1(c2ccccc2)CCN(C(=O)C=Cc2ccccc2-c2nn[n-]n2)CC1 ZINC000824843137 607795373 /nfs/dbraw/zinc/79/53/73/607795373.db2.gz AGSYRAMRYKOXRQ-VAWYXSNFSA-N -1 3 373.460 3.460 20 0 FGADHM CCN(C(=O)c1csc(C(C)(C)C)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825390481 607796988 /nfs/dbraw/zinc/79/69/88/607796988.db2.gz GUNPLYQFMGBELH-UHFFFAOYSA-N -1 3 356.455 3.287 20 0 FGADHM CCN(C(=O)c1csc(C(C)(C)C)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825390481 607796989 /nfs/dbraw/zinc/79/69/89/607796989.db2.gz GUNPLYQFMGBELH-UHFFFAOYSA-N -1 3 356.455 3.287 20 0 FGADHM CCN(C(=O)c1ccc(-c2ccco2)nc1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825380958 607798486 /nfs/dbraw/zinc/79/84/86/607798486.db2.gz XQMGRAZABCPITM-UHFFFAOYSA-N -1 3 374.404 3.497 20 0 FGADHM CCN(C(=O)c1ccc(-c2ccco2)nc1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825380958 607798487 /nfs/dbraw/zinc/79/84/87/607798487.db2.gz XQMGRAZABCPITM-UHFFFAOYSA-N -1 3 374.404 3.497 20 0 FGADHM CCN(C(=O)[C@H](C)Oc1ccccc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000825362584 607798779 /nfs/dbraw/zinc/79/87/79/607798779.db2.gz PNGDLTFKNRYEKR-LBPRGKRZSA-N -1 3 371.828 3.341 20 0 FGADHM CCN(C(=O)[C@H](C)Oc1ccccc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000825362584 607798780 /nfs/dbraw/zinc/79/87/80/607798780.db2.gz PNGDLTFKNRYEKR-LBPRGKRZSA-N -1 3 371.828 3.341 20 0 FGADHM CCN(C(=O)c1ccc2nc(C)ccc2c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825385686 607800562 /nfs/dbraw/zinc/80/05/62/607800562.db2.gz QQHDDOWXZLHFTF-UHFFFAOYSA-N -1 3 358.405 3.390 20 0 FGADHM CCN(C(=O)c1ccc2nc(C)ccc2c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825385686 607800563 /nfs/dbraw/zinc/80/05/63/607800563.db2.gz QQHDDOWXZLHFTF-UHFFFAOYSA-N -1 3 358.405 3.390 20 0 FGADHM O=C(Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)C(C1CC1)C1CC1 ZINC000826459380 607801941 /nfs/dbraw/zinc/80/19/41/607801941.db2.gz HOMNNHWMTYJHRD-UHFFFAOYSA-N -1 3 366.450 3.365 20 0 FGADHM O=C(Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)C(C1CC1)C1CC1 ZINC000826459380 607801942 /nfs/dbraw/zinc/80/19/42/607801942.db2.gz HOMNNHWMTYJHRD-UHFFFAOYSA-N -1 3 366.450 3.365 20 0 FGADHM FC(F)(F)c1cc(N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)ccc1-c1nnn[n-]1 ZINC000826368624 607822083 /nfs/dbraw/zinc/82/20/83/607822083.db2.gz WZLYRDXYLZFRFV-BNOWGMLFSA-N -1 3 365.359 3.255 20 0 FGADHM FC(F)(F)c1cc(N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)ccc1-c1nn[n-]n1 ZINC000826368624 607822084 /nfs/dbraw/zinc/82/20/84/607822084.db2.gz WZLYRDXYLZFRFV-BNOWGMLFSA-N -1 3 365.359 3.255 20 0 FGADHM Cc1noc(C)c1[C@H](C)CC(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826338405 607830912 /nfs/dbraw/zinc/83/09/12/607830912.db2.gz UQVIRQAXBJUPNW-PWSUYJOCSA-N -1 3 355.398 3.270 20 0 FGADHM Cc1noc(C)c1[C@H](C)CC(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826338405 607830913 /nfs/dbraw/zinc/83/09/13/607830913.db2.gz UQVIRQAXBJUPNW-PWSUYJOCSA-N -1 3 355.398 3.270 20 0 FGADHM CC(C)(C)CCNC(=O)CSc1ccc(-c2nnn[n-]2)cc1Cl ZINC000824087373 607844215 /nfs/dbraw/zinc/84/42/15/607844215.db2.gz UCLUHYJVYKJZII-UHFFFAOYSA-N -1 3 353.879 3.165 20 0 FGADHM CC(C)(C)CCNC(=O)CSc1ccc(-c2nn[n-]n2)cc1Cl ZINC000824087373 607844216 /nfs/dbraw/zinc/84/42/16/607844216.db2.gz UCLUHYJVYKJZII-UHFFFAOYSA-N -1 3 353.879 3.165 20 0 FGADHM Cc1cccc(C(=O)OCCOc2ccccc2-c2nnn[n-]2)c1Cl ZINC000826296389 607857474 /nfs/dbraw/zinc/85/74/74/607857474.db2.gz UXJFLGZLQLARSO-UHFFFAOYSA-N -1 3 358.785 3.064 20 0 FGADHM Cc1cccc(C(=O)OCCOc2ccccc2-c2nn[n-]n2)c1Cl ZINC000826296389 607857475 /nfs/dbraw/zinc/85/74/75/607857475.db2.gz UXJFLGZLQLARSO-UHFFFAOYSA-N -1 3 358.785 3.064 20 0 FGADHM O[C@H](COc1ccc(-c2nnn[n-]2)cc1F)c1ccc(C(F)(F)F)cc1 ZINC000826504546 607875056 /nfs/dbraw/zinc/87/50/56/607875056.db2.gz YKLKZPCYKNLNED-CYBMUJFWSA-N -1 3 368.290 3.137 20 0 FGADHM O[C@H](COc1ccc(-c2nn[n-]n2)cc1F)c1ccc(C(F)(F)F)cc1 ZINC000826504546 607875057 /nfs/dbraw/zinc/87/50/57/607875057.db2.gz YKLKZPCYKNLNED-CYBMUJFWSA-N -1 3 368.290 3.137 20 0 FGADHM CCCOc1cccc(NCc2cccc(C(=O)OC)c2-c2nnn[n-]2)c1 ZINC000825341818 607879571 /nfs/dbraw/zinc/87/95/71/607879571.db2.gz KVWMPTKHPVZHRO-UHFFFAOYSA-N -1 3 367.409 3.054 20 0 FGADHM CCCOc1cccc(NCc2cccc(C(=O)OC)c2-c2nn[n-]n2)c1 ZINC000825341818 607879572 /nfs/dbraw/zinc/87/95/72/607879572.db2.gz KVWMPTKHPVZHRO-UHFFFAOYSA-N -1 3 367.409 3.054 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000826185851 607889566 /nfs/dbraw/zinc/88/95/66/607889566.db2.gz WBXXCBITTGKVFG-KCQAQPDRSA-N -1 3 355.442 3.420 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000826185851 607889567 /nfs/dbraw/zinc/88/95/67/607889567.db2.gz WBXXCBITTGKVFG-KCQAQPDRSA-N -1 3 355.442 3.420 20 0 FGADHM O=C(COC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826415500 607918469 /nfs/dbraw/zinc/91/84/69/607918469.db2.gz IIFVXAFMJUBBLE-IAOVAPTHSA-N -1 3 368.437 3.199 20 0 FGADHM O=C(COC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826415500 607918470 /nfs/dbraw/zinc/91/84/70/607918470.db2.gz IIFVXAFMJUBBLE-IAOVAPTHSA-N -1 3 368.437 3.199 20 0 FGADHM CCc1cccc(NC(=S)N2CCc3ccc(-c4nnn[n-]4)cc32)c1 ZINC000825723297 607930159 /nfs/dbraw/zinc/93/01/59/607930159.db2.gz WTPRXYNHRMOECX-UHFFFAOYSA-N -1 3 350.451 3.189 20 0 FGADHM CCc1cccc(NC(=S)N2CCc3ccc(-c4nn[n-]n4)cc32)c1 ZINC000825723297 607930160 /nfs/dbraw/zinc/93/01/60/607930160.db2.gz WTPRXYNHRMOECX-UHFFFAOYSA-N -1 3 350.451 3.189 20 0 FGADHM c1cc(-c2nnn[n-]2)cc2c1CCN2c1ncnc2sc3c(c21)CCC3 ZINC000826526978 607936316 /nfs/dbraw/zinc/93/63/16/607936316.db2.gz UNUYZYDYVQOIHK-UHFFFAOYSA-N -1 3 361.434 3.054 20 0 FGADHM c1cc(-c2nn[n-]n2)cc2c1CCN2c1ncnc2sc3c(c21)CCC3 ZINC000826526978 607936317 /nfs/dbraw/zinc/93/63/17/607936317.db2.gz UNUYZYDYVQOIHK-UHFFFAOYSA-N -1 3 361.434 3.054 20 0 FGADHM C[C@H](CCc1cccc(F)c1)C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000824405904 607954782 /nfs/dbraw/zinc/95/47/82/607954782.db2.gz BBPACQVKGLVZHC-CYBMUJFWSA-N -1 3 365.412 3.164 20 0 FGADHM C[C@H](CCc1cccc(F)c1)C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000824405904 607954783 /nfs/dbraw/zinc/95/47/83/607954783.db2.gz BBPACQVKGLVZHC-CYBMUJFWSA-N -1 3 365.412 3.164 20 0 FGADHM CCCn1c2ccc(-c3nnn[n-]3)cc2nc1-c1ccc(O)c(OC)c1 ZINC000825351673 607974703 /nfs/dbraw/zinc/97/47/03/607974703.db2.gz GGPZCWYYXIUEKR-UHFFFAOYSA-N -1 3 350.382 3.008 20 0 FGADHM CCCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1ccc(O)c(OC)c1 ZINC000825351673 607974704 /nfs/dbraw/zinc/97/47/04/607974704.db2.gz GGPZCWYYXIUEKR-UHFFFAOYSA-N -1 3 350.382 3.008 20 0 FGADHM CC(C)c1ccc([C@@H]2CCCN2C(=O)c2cc(-c3nnn[n-]3)c[nH]2)cc1 ZINC000824347606 607977056 /nfs/dbraw/zinc/97/70/56/607977056.db2.gz GUEWYACVQXMQHT-KRWDZBQOSA-N -1 3 350.426 3.296 20 0 FGADHM CC(C)c1ccc([C@@H]2CCCN2C(=O)c2cc(-c3nn[n-]n3)c[nH]2)cc1 ZINC000824347606 607977057 /nfs/dbraw/zinc/97/70/57/607977057.db2.gz GUEWYACVQXMQHT-KRWDZBQOSA-N -1 3 350.426 3.296 20 0 FGADHM CC(C)(C)C1=CCN(Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)CC1 ZINC000824070739 607985888 /nfs/dbraw/zinc/98/58/88/607985888.db2.gz BEAZIXHNCCTGML-UHFFFAOYSA-N -1 3 365.441 3.095 20 0 FGADHM CC(C)(C)C1=CCN(Cc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)CC1 ZINC000824070739 607985889 /nfs/dbraw/zinc/98/58/89/607985889.db2.gz BEAZIXHNCCTGML-UHFFFAOYSA-N -1 3 365.441 3.095 20 0 FGADHM CC(C)(C)OC(=O)C1(NCc2ccc(-c3nnn[n-]3)cc2)CCCCC1 ZINC000824094035 607986084 /nfs/dbraw/zinc/98/60/84/607986084.db2.gz PRLVIJNAPFTEMW-UHFFFAOYSA-N -1 3 357.458 3.001 20 0 FGADHM CC(C)(C)OC(=O)C1(NCc2ccc(-c3nn[n-]n3)cc2)CCCCC1 ZINC000824094035 607986085 /nfs/dbraw/zinc/98/60/85/607986085.db2.gz PRLVIJNAPFTEMW-UHFFFAOYSA-N -1 3 357.458 3.001 20 0 FGADHM Cc1ccc(-c2ncco2)cc1NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000826273614 608004233 /nfs/dbraw/zinc/00/42/33/608004233.db2.gz MRJYFNHFBJINJY-CMDGGOBGSA-N -1 3 372.388 3.482 20 0 FGADHM Cc1ccc(-c2ncco2)cc1NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000826273614 608004234 /nfs/dbraw/zinc/00/42/34/608004234.db2.gz MRJYFNHFBJINJY-CMDGGOBGSA-N -1 3 372.388 3.482 20 0 FGADHM Cc1cc([C@H](NC(=O)c2sccc2-c2nn[n-]n2)C2CC2)ccc1F ZINC000826262361 608009461 /nfs/dbraw/zinc/00/94/61/608009461.db2.gz MUQVZJGZJVTEJK-CQSZACIVSA-N -1 3 357.414 3.257 20 0 FGADHM Cc1cc([C@H](NC(=O)c2sccc2-c2nnn[n-]2)C2CC2)ccc1F ZINC000826262361 608009460 /nfs/dbraw/zinc/00/94/60/608009460.db2.gz MUQVZJGZJVTEJK-CQSZACIVSA-N -1 3 357.414 3.257 20 0 FGADHM Clc1cc(-c2nnn[n-]2)cnc1N(Cc1ccco1)Cc1cccnc1 ZINC000826350656 608016284 /nfs/dbraw/zinc/01/62/84/608016284.db2.gz GBHDOLUBBOMTNK-UHFFFAOYSA-N -1 3 367.800 3.110 20 0 FGADHM Clc1cc(-c2nn[n-]n2)cnc1N(Cc1ccco1)Cc1cccnc1 ZINC000826350656 608016285 /nfs/dbraw/zinc/01/62/85/608016285.db2.gz GBHDOLUBBOMTNK-UHFFFAOYSA-N -1 3 367.800 3.110 20 0 FGADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)c1cccc(-c2ccoc2)c1 ZINC000826440596 608025819 /nfs/dbraw/zinc/02/58/19/608025819.db2.gz SRNVSMJTIOGHSH-UHFFFAOYSA-N -1 3 363.352 3.196 20 0 FGADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)c1cccc(-c2ccoc2)c1 ZINC000826440596 608025820 /nfs/dbraw/zinc/02/58/20/608025820.db2.gz SRNVSMJTIOGHSH-UHFFFAOYSA-N -1 3 363.352 3.196 20 0 FGADHM C[C@@H](NC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1)c1ccc[nH]1 ZINC000824522301 608038355 /nfs/dbraw/zinc/03/83/55/608038355.db2.gz QNAKDWTVQIFNAL-CYBMUJFWSA-N -1 3 373.420 3.429 20 0 FGADHM Cc1cc2ccccc2nc1N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826273245 608053125 /nfs/dbraw/zinc/05/31/25/608053125.db2.gz VGGFHCZALWXROE-LJQANCHMSA-N -1 3 372.432 3.301 20 0 FGADHM Cc1cc2ccccc2nc1N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826273245 608053126 /nfs/dbraw/zinc/05/31/26/608053126.db2.gz VGGFHCZALWXROE-LJQANCHMSA-N -1 3 372.432 3.301 20 0 FGADHM Clc1ccc(Cn2cc(NCc3cc(-c4nnn[n-]4)cs3)cn2)cc1 ZINC000826351900 608055907 /nfs/dbraw/zinc/05/59/07/608055907.db2.gz GEPFQEYHFACKFH-UHFFFAOYSA-N -1 3 371.857 3.439 20 0 FGADHM Clc1ccc(Cn2cc(NCc3cc(-c4nn[n-]n4)cs3)cn2)cc1 ZINC000826351900 608055908 /nfs/dbraw/zinc/05/59/08/608055908.db2.gz GEPFQEYHFACKFH-UHFFFAOYSA-N -1 3 371.857 3.439 20 0 FGADHM Cc1cc(C)c(-c2nnn[n-]2)c(SCc2nc(-c3ccsc3)no2)n1 ZINC000826263404 608057630 /nfs/dbraw/zinc/05/76/30/608057630.db2.gz ZQWOPJQVBIYKJG-UHFFFAOYSA-N -1 3 371.451 3.282 20 0 FGADHM Cc1cc(C)c(-c2nn[n-]n2)c(SCc2nc(-c3ccsc3)no2)n1 ZINC000826263404 608057631 /nfs/dbraw/zinc/05/76/31/608057631.db2.gz ZQWOPJQVBIYKJG-UHFFFAOYSA-N -1 3 371.451 3.282 20 0 FGADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)N1CCc2ccc(Cl)cc2C1 ZINC000826408369 608059869 /nfs/dbraw/zinc/05/98/69/608059869.db2.gz CHAMLEOBKYVYCH-UHFFFAOYSA-N -1 3 367.840 3.038 20 0 FGADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)N1CCc2ccc(Cl)cc2C1 ZINC000826408369 608059870 /nfs/dbraw/zinc/05/98/70/608059870.db2.gz CHAMLEOBKYVYCH-UHFFFAOYSA-N -1 3 367.840 3.038 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1c(C)cc(C)cc1C ZINC000825626565 608062162 /nfs/dbraw/zinc/06/21/62/608062162.db2.gz MQCAAQLJVFCUCE-UHFFFAOYSA-N -1 3 351.410 3.443 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1c(C)cc(C)cc1C ZINC000825626565 608062163 /nfs/dbraw/zinc/06/21/63/608062163.db2.gz MQCAAQLJVFCUCE-UHFFFAOYSA-N -1 3 351.410 3.443 20 0 FGADHM Fc1ccc(CN2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)c(Cl)c1 ZINC000826374867 608071366 /nfs/dbraw/zinc/07/13/66/608071366.db2.gz PEOLWRKWHJIJSE-KRWDZBQOSA-N -1 3 373.819 3.233 20 0 FGADHM Fc1ccc(CN2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)c(Cl)c1 ZINC000826374867 608071367 /nfs/dbraw/zinc/07/13/67/608071367.db2.gz PEOLWRKWHJIJSE-KRWDZBQOSA-N -1 3 373.819 3.233 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)C1=Cc2cc(F)ccc2OC1 ZINC000826452686 608071816 /nfs/dbraw/zinc/07/18/16/608071816.db2.gz DAQLQJWSRMWROC-UHFFFAOYSA-N -1 3 371.759 3.074 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)C1=Cc2cc(F)ccc2OC1 ZINC000826452686 608071817 /nfs/dbraw/zinc/07/18/17/608071817.db2.gz DAQLQJWSRMWROC-UHFFFAOYSA-N -1 3 371.759 3.074 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1cccc([C@H]2CCOC2)c1 ZINC000826453058 608072241 /nfs/dbraw/zinc/07/22/41/608072241.db2.gz UCZOLKFGUPMDQT-AWEZNQCLSA-N -1 3 369.812 3.276 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1cccc([C@H]2CCOC2)c1 ZINC000826453058 608072242 /nfs/dbraw/zinc/07/22/42/608072242.db2.gz UCZOLKFGUPMDQT-AWEZNQCLSA-N -1 3 369.812 3.276 20 0 FGADHM CCCCC[C@H](C)CC(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000825266343 608084475 /nfs/dbraw/zinc/08/44/75/608084475.db2.gz FFMCOLZWCQKDKB-MAUKXSAKSA-N -1 3 371.485 3.373 20 0 FGADHM CCCCC[C@H](C)CC(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000825266343 608084476 /nfs/dbraw/zinc/08/44/76/608084476.db2.gz FFMCOLZWCQKDKB-MAUKXSAKSA-N -1 3 371.485 3.373 20 0 FGADHM CCCCCC[C@H](C)C(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000825270764 608085337 /nfs/dbraw/zinc/08/53/37/608085337.db2.gz CPIBKYGNUXTBJH-MAUKXSAKSA-N -1 3 371.485 3.373 20 0 FGADHM CCCCCC[C@H](C)C(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000825270764 608085338 /nfs/dbraw/zinc/08/53/38/608085338.db2.gz CPIBKYGNUXTBJH-MAUKXSAKSA-N -1 3 371.485 3.373 20 0 FGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)NC1(c2ccc(F)cc2F)CCC1 ZINC000826456079 608100741 /nfs/dbraw/zinc/10/07/41/608100741.db2.gz PAMHYYNNAHVBLK-UHFFFAOYSA-N -1 3 370.363 3.346 20 0 FGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)NC1(c2ccc(F)cc2F)CCC1 ZINC000826456079 608100742 /nfs/dbraw/zinc/10/07/42/608100742.db2.gz PAMHYYNNAHVBLK-UHFFFAOYSA-N -1 3 370.363 3.346 20 0 FGADHM CC[C@@H](C)n1ncc(NC(=O)c2sccc2-c2nnn[n-]2)c1C1CC1 ZINC000825082967 608108487 /nfs/dbraw/zinc/10/84/87/608108487.db2.gz WECTUWISFFMQPS-SECBINFHSA-N -1 3 357.443 3.225 20 0 FGADHM CC[C@@H](C)n1ncc(NC(=O)c2sccc2-c2nn[n-]n2)c1C1CC1 ZINC000825082967 608108488 /nfs/dbraw/zinc/10/84/88/608108488.db2.gz WECTUWISFFMQPS-SECBINFHSA-N -1 3 357.443 3.225 20 0 FGADHM C[C@H](C(=O)OCc1cc(F)ccc1-c1nnn[n-]1)c1c(F)cccc1F ZINC000824052391 608117242 /nfs/dbraw/zinc/11/72/42/608117242.db2.gz OAUUZWLPCKKFRO-VIFPVBQESA-N -1 3 362.311 3.131 20 0 FGADHM C[C@H](C(=O)OCc1cc(F)ccc1-c1nn[n-]n1)c1c(F)cccc1F ZINC000824052391 608117243 /nfs/dbraw/zinc/11/72/43/608117243.db2.gz OAUUZWLPCKKFRO-VIFPVBQESA-N -1 3 362.311 3.131 20 0 FGADHM CC(C)c1cc(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)no1 ZINC000824342228 608119418 /nfs/dbraw/zinc/11/94/18/608119418.db2.gz NNFHQZVLWPOLOM-UHFFFAOYSA-N -1 3 354.414 3.029 20 0 FGADHM CC(C)c1cc(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)no1 ZINC000824342228 608119419 /nfs/dbraw/zinc/11/94/19/608119419.db2.gz NNFHQZVLWPOLOM-UHFFFAOYSA-N -1 3 354.414 3.029 20 0 FGADHM CCC[C@H](C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)C(C)C ZINC000825225052 608120494 /nfs/dbraw/zinc/12/04/94/608120494.db2.gz KGYFQZVVRLGDIR-NSHDSACASA-N -1 3 353.373 3.479 20 0 FGADHM CCC[C@H](C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)C(C)C ZINC000825225052 608120495 /nfs/dbraw/zinc/12/04/95/608120495.db2.gz KGYFQZVVRLGDIR-NSHDSACASA-N -1 3 353.373 3.479 20 0 FGADHM C[C@H](C[C@@H](O)c1ccco1)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000824390768 608123208 /nfs/dbraw/zinc/12/32/08/608123208.db2.gz DFZVWFUMMKOLLH-NOZJJQNGSA-N -1 3 367.331 3.403 20 0 FGADHM C[C@H](C[C@@H](O)c1ccco1)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000824390768 608123209 /nfs/dbraw/zinc/12/32/09/608123209.db2.gz DFZVWFUMMKOLLH-NOZJJQNGSA-N -1 3 367.331 3.403 20 0 FGADHM NC(=O)c1ccc(COc2ccc(-c3ccc(-c4nnn[n-]4)cc3)cc2)cc1 ZINC000826393577 608126890 /nfs/dbraw/zinc/12/68/90/608126890.db2.gz YQACYBUHBAXOBY-UHFFFAOYSA-N -1 3 371.400 3.212 20 0 FGADHM NC(=O)c1ccc(COc2ccc(-c3ccc(-c4nn[n-]n4)cc3)cc2)cc1 ZINC000826393577 608126891 /nfs/dbraw/zinc/12/68/91/608126891.db2.gz YQACYBUHBAXOBY-UHFFFAOYSA-N -1 3 371.400 3.212 20 0 FGADHM Cc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(C(=O)NCC(C)C)c1 ZINC000826292198 608153018 /nfs/dbraw/zinc/15/30/18/608153018.db2.gz LMKFHUNTMMAPDT-UHFFFAOYSA-N -1 3 365.437 3.140 20 0 FGADHM Cc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(C(=O)NCC(C)C)c1 ZINC000826292198 608153020 /nfs/dbraw/zinc/15/30/20/608153020.db2.gz LMKFHUNTMMAPDT-UHFFFAOYSA-N -1 3 365.437 3.140 20 0 FGADHM C[C@@H](NC(=O)N1CC[C@@H](C)C2(CCC2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000824487356 608163061 /nfs/dbraw/zinc/16/30/61/608163061.db2.gz ARHMJPIUZITBNZ-ZIAGYGMSSA-N -1 3 354.458 3.149 20 0 FGADHM C[C@@H](NC(=O)N1CC[C@@H](C)C2(CCC2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000824487356 608163062 /nfs/dbraw/zinc/16/30/62/608163062.db2.gz ARHMJPIUZITBNZ-ZIAGYGMSSA-N -1 3 354.458 3.149 20 0 FGADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1)c1cc(F)c(Cl)cc1F ZINC000826464543 608186088 /nfs/dbraw/zinc/18/60/88/608186088.db2.gz BBMUCCOXSGBRBP-UHFFFAOYSA-N -1 3 350.712 3.155 20 0 FGADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1)c1cc(F)c(Cl)cc1F ZINC000826464543 608186090 /nfs/dbraw/zinc/18/60/90/608186090.db2.gz BBMUCCOXSGBRBP-UHFFFAOYSA-N -1 3 350.712 3.155 20 0 FGADHM COC(=O)C(=Cc1cccc(-c2nnn[n-]2)c1)c1nc(C(C)(C)C)cs1 ZINC000826098993 608198232 /nfs/dbraw/zinc/19/82/32/608198232.db2.gz VHYZGGIHVCIJTK-LCYFTJDESA-N -1 3 369.450 3.334 20 0 FGADHM COC(=O)C(=Cc1cccc(-c2nn[n-]n2)c1)c1nc(C(C)(C)C)cs1 ZINC000826098993 608198233 /nfs/dbraw/zinc/19/82/33/608198233.db2.gz VHYZGGIHVCIJTK-LCYFTJDESA-N -1 3 369.450 3.334 20 0 FGADHM Cc1ccc(OCCCC(=O)OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000826292106 608203303 /nfs/dbraw/zinc/20/33/03/608203303.db2.gz ILRHRZCBNZBCTK-UHFFFAOYSA-N -1 3 352.394 3.078 20 0 FGADHM Cc1ccc(OCCCC(=O)OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000826292106 608203304 /nfs/dbraw/zinc/20/33/04/608203304.db2.gz ILRHRZCBNZBCTK-UHFFFAOYSA-N -1 3 352.394 3.078 20 0 FGADHM C[C@@H]1CCCC[C@@H]1NC(=O)CSc1cccc(Cl)c1-c1nnn[n-]1 ZINC000824936489 608205798 /nfs/dbraw/zinc/20/57/98/608205798.db2.gz IABQXDBVMKSIRC-PWSUYJOCSA-N -1 3 365.890 3.307 20 0 FGADHM C[C@@H]1CCCC[C@@H]1NC(=O)CSc1cccc(Cl)c1-c1nn[n-]n1 ZINC000824936489 608205800 /nfs/dbraw/zinc/20/58/00/608205800.db2.gz IABQXDBVMKSIRC-PWSUYJOCSA-N -1 3 365.890 3.307 20 0 FGADHM CCCCCc1ccc(NC(=O)CNc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000825275904 608216012 /nfs/dbraw/zinc/21/60/12/608216012.db2.gz HFXVYHIDEOWUDE-UHFFFAOYSA-N -1 3 365.441 3.045 20 0 FGADHM CCCCCc1ccc(NC(=O)CNc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000825275904 608216015 /nfs/dbraw/zinc/21/60/15/608216015.db2.gz HFXVYHIDEOWUDE-UHFFFAOYSA-N -1 3 365.441 3.045 20 0 FGADHM COc1ccc([C@H]2CCN(c3ccc4cc(-c5nnn[n-]5)ccc4n3)C2)cc1 ZINC000826191046 608225374 /nfs/dbraw/zinc/22/53/74/608225374.db2.gz VNHVGVOMUCVWSL-KRWDZBQOSA-N -1 3 372.432 3.417 20 0 FGADHM COc1ccc([C@H]2CCN(c3ccc4cc(-c5nn[n-]n5)ccc4n3)C2)cc1 ZINC000826191046 608225376 /nfs/dbraw/zinc/22/53/76/608225376.db2.gz VNHVGVOMUCVWSL-KRWDZBQOSA-N -1 3 372.432 3.417 20 0 FGADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C=Cc1ccc2[nH]ccc2c1 ZINC000825958214 608229262 /nfs/dbraw/zinc/22/92/62/608229262.db2.gz OABOSHMKRDMEJF-UITAMQMPSA-N -1 3 358.405 3.020 20 0 FGADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C=Cc1ccc2[nH]ccc2c1 ZINC000825958214 608229263 /nfs/dbraw/zinc/22/92/63/608229263.db2.gz OABOSHMKRDMEJF-UITAMQMPSA-N -1 3 358.405 3.020 20 0 FGADHM Cc1cnc(CNc2ccccc2Oc2ncccc2-c2nnn[n-]2)s1 ZINC000826318710 608235049 /nfs/dbraw/zinc/23/50/49/608235049.db2.gz WDHKVXSHQIZVSS-UHFFFAOYSA-N -1 3 365.422 3.431 20 0 FGADHM Fc1cccc([C@@H](NCc2cc(-c3nnn[n-]3)cs2)c2ccccn2)c1 ZINC000826376646 608243787 /nfs/dbraw/zinc/24/37/87/608243787.db2.gz MFZQUUOOJVYCJB-QGZVFWFLSA-N -1 3 366.425 3.342 20 0 FGADHM Fc1cccc([C@@H](NCc2cc(-c3nn[n-]n3)cs2)c2ccccn2)c1 ZINC000826376646 608243788 /nfs/dbraw/zinc/24/37/88/608243788.db2.gz MFZQUUOOJVYCJB-QGZVFWFLSA-N -1 3 366.425 3.342 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N[C@@H]1CCCc2cc(F)ccc21 ZINC000826453180 608266507 /nfs/dbraw/zinc/26/65/07/608266507.db2.gz ZOUCHDVRSKKFME-MRXNPFEDSA-N -1 3 352.373 3.205 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N[C@@H]1CCCc2cc(F)ccc21 ZINC000826453180 608266508 /nfs/dbraw/zinc/26/65/08/608266508.db2.gz ZOUCHDVRSKKFME-MRXNPFEDSA-N -1 3 352.373 3.205 20 0 FGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N[C@H]1CCCc2cc(F)ccc21 ZINC000826456483 608267313 /nfs/dbraw/zinc/26/73/13/608267313.db2.gz GWRYMQIOOHGUTB-INIZCTEOSA-N -1 3 352.373 3.205 20 0 FGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N[C@H]1CCCc2cc(F)ccc21 ZINC000826456483 608267315 /nfs/dbraw/zinc/26/73/15/608267315.db2.gz GWRYMQIOOHGUTB-INIZCTEOSA-N -1 3 352.373 3.205 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)c(N[C@@H]2CCc3cc(Br)ccc32)n1 ZINC000826275980 608277212 /nfs/dbraw/zinc/27/72/12/608277212.db2.gz QGFBXFGQVVLBKC-CQSZACIVSA-N -1 3 371.242 3.432 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)c(N[C@@H]2CCc3cc(Br)ccc32)n1 ZINC000826275980 608277213 /nfs/dbraw/zinc/27/72/13/608277213.db2.gz QGFBXFGQVVLBKC-CQSZACIVSA-N -1 3 371.242 3.432 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)c(NCc2ccc(Br)c(F)c2)n1 ZINC000826276337 608280448 /nfs/dbraw/zinc/28/04/48/608280448.db2.gz AYVFYAIHMKOCFF-UHFFFAOYSA-N -1 3 363.194 3.084 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)c(NCc2ccc(Br)c(F)c2)n1 ZINC000826276337 608280449 /nfs/dbraw/zinc/28/04/49/608280449.db2.gz AYVFYAIHMKOCFF-UHFFFAOYSA-N -1 3 363.194 3.084 20 0 FGADHM Fc1ccccc1[C@@H]1CCN(c2nc3c(cc2-c2nnn[n-]2)CCCC3)C1 ZINC000826377778 608285517 /nfs/dbraw/zinc/28/55/17/608285517.db2.gz FQRHWVCLLDYWRN-CQSZACIVSA-N -1 3 364.428 3.274 20 0 FGADHM Fc1ccccc1[C@@H]1CCN(c2nc3c(cc2-c2nn[n-]n2)CCCC3)C1 ZINC000826377778 608285519 /nfs/dbraw/zinc/28/55/19/608285519.db2.gz FQRHWVCLLDYWRN-CQSZACIVSA-N -1 3 364.428 3.274 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1cccc([C@H]2CCCOC2)c1 ZINC000826454129 608287493 /nfs/dbraw/zinc/28/74/93/608287493.db2.gz KMWZXMYIAJXZDA-AWEZNQCLSA-N -1 3 367.384 3.152 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1cccc([C@H]2CCCOC2)c1 ZINC000826454129 608287496 /nfs/dbraw/zinc/28/74/96/608287496.db2.gz KMWZXMYIAJXZDA-AWEZNQCLSA-N -1 3 367.384 3.152 20 0 FGADHM Cc1nnc([C@H](C)NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)o1 ZINC000826335214 608291749 /nfs/dbraw/zinc/29/17/49/608291749.db2.gz CZUHNDUMYOJURD-LBPRGKRZSA-N -1 3 361.409 3.076 20 0 FGADHM Cc1nnc([C@H](C)NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)o1 ZINC000826335214 608291752 /nfs/dbraw/zinc/29/17/52/608291752.db2.gz CZUHNDUMYOJURD-LBPRGKRZSA-N -1 3 361.409 3.076 20 0 FGADHM CC(C)(C)OC(=O)CCCCNc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000824098820 608295010 /nfs/dbraw/zinc/29/50/10/608295010.db2.gz AJHOPBDPSRAGDF-UHFFFAOYSA-N -1 3 368.441 3.339 20 0 FGADHM CC(C)(C)OC(=O)CCCCNc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000824098820 608295012 /nfs/dbraw/zinc/29/50/12/608295012.db2.gz AJHOPBDPSRAGDF-UHFFFAOYSA-N -1 3 368.441 3.339 20 0 FGADHM C[C@H](C[C@@H](O)c1ccccc1)Nc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC000824394831 608296117 /nfs/dbraw/zinc/29/61/17/608296117.db2.gz ZAGIYNPAGRSLNZ-FZKQIMNGSA-N -1 3 364.453 3.065 20 0 FGADHM C[C@H](C[C@@H](O)c1ccccc1)Nc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC000824394831 608296118 /nfs/dbraw/zinc/29/61/18/608296118.db2.gz ZAGIYNPAGRSLNZ-FZKQIMNGSA-N -1 3 364.453 3.065 20 0 FGADHM COCC1(C)CCN(c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)CC1 ZINC000826152948 608298477 /nfs/dbraw/zinc/29/84/77/608298477.db2.gz VDZHUMHIVURIDH-UHFFFAOYSA-N -1 3 355.364 3.138 20 0 FGADHM COCC1(C)CCN(c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)CC1 ZINC000826152948 608298480 /nfs/dbraw/zinc/29/84/80/608298480.db2.gz VDZHUMHIVURIDH-UHFFFAOYSA-N -1 3 355.364 3.138 20 0 FGADHM C[C@H]1CCC[C@@H](OCCCCCC(=O)Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC000824925524 608305312 /nfs/dbraw/zinc/30/53/12/608305312.db2.gz DRDZHLFMNXDUQR-GOEBONIOSA-N -1 3 372.473 3.356 20 0 FGADHM C[C@H]1CCC[C@@H](OCCCCCC(=O)Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC000824925524 608305314 /nfs/dbraw/zinc/30/53/14/608305314.db2.gz DRDZHLFMNXDUQR-GOEBONIOSA-N -1 3 372.473 3.356 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1CNc1cccc(-c2nccc(C)n2)c1 ZINC000826170869 608320803 /nfs/dbraw/zinc/32/08/03/608320803.db2.gz SCUVUCXDRYJNGO-UHFFFAOYSA-N -1 3 373.420 3.253 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1CNc1cccc(-c2nccc(C)n2)c1 ZINC000826170869 608320804 /nfs/dbraw/zinc/32/08/04/608320804.db2.gz SCUVUCXDRYJNGO-UHFFFAOYSA-N -1 3 373.420 3.253 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1CSCc1cccc(NC(C)=O)c1 ZINC000826173433 608322432 /nfs/dbraw/zinc/32/24/32/608322432.db2.gz DGZBRXLYQCWBQM-UHFFFAOYSA-N -1 3 369.450 3.267 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1CSCc1cccc(NC(C)=O)c1 ZINC000826173433 608322434 /nfs/dbraw/zinc/32/24/34/608322434.db2.gz DGZBRXLYQCWBQM-UHFFFAOYSA-N -1 3 369.450 3.267 20 0 FGADHM CCCCO[C@@H](C)C(=O)N(CC)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825291887 608343415 /nfs/dbraw/zinc/34/34/15/608343415.db2.gz ZDDUKOJUQOEEPD-NSHDSACASA-N -1 3 351.838 3.078 20 0 FGADHM CCCCO[C@@H](C)C(=O)N(CC)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825291887 608343417 /nfs/dbraw/zinc/34/34/17/608343417.db2.gz ZDDUKOJUQOEEPD-NSHDSACASA-N -1 3 351.838 3.078 20 0 FGADHM CCN(C(=O)CC[C@H]1CCCCO1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825372144 608345002 /nfs/dbraw/zinc/34/50/02/608345002.db2.gz RLYNPYXJVASGMQ-CYBMUJFWSA-N -1 3 363.849 3.222 20 0 FGADHM CCN(C(=O)CC[C@H]1CCCCO1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825372144 608345004 /nfs/dbraw/zinc/34/50/04/608345004.db2.gz RLYNPYXJVASGMQ-CYBMUJFWSA-N -1 3 363.849 3.222 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)C=C(C)c1ccccc1 ZINC000826171110 608349341 /nfs/dbraw/zinc/34/93/41/608349341.db2.gz CJWKXLMRSSMFOM-JLHYYAGUSA-N -1 3 350.378 3.022 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)C=C(C)c1ccccc1 ZINC000826171110 608349343 /nfs/dbraw/zinc/34/93/43/608349343.db2.gz CJWKXLMRSSMFOM-JLHYYAGUSA-N -1 3 350.378 3.022 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1CN(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000826167377 608352334 /nfs/dbraw/zinc/35/23/34/608352334.db2.gz APLGGWRWXIZOAF-NSHDSACASA-N -1 3 359.380 3.347 20 0 FGADHM CC[C@H](OC1CCCCC1)C(=O)OCc1ccc(-c2nnn[n-]2)cc1OC ZINC000825154738 608362840 /nfs/dbraw/zinc/36/28/40/608362840.db2.gz SOEPBRNVQQIIJK-INIZCTEOSA-N -1 3 374.441 3.046 20 0 FGADHM CC[C@H](OC1CCCCC1)C(=O)OCc1ccc(-c2nn[n-]n2)cc1OC ZINC000825154738 608362841 /nfs/dbraw/zinc/36/28/41/608362841.db2.gz SOEPBRNVQQIIJK-INIZCTEOSA-N -1 3 374.441 3.046 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)c1cccc(C)c1Cl ZINC000826172644 608371208 /nfs/dbraw/zinc/37/12/08/608371208.db2.gz PZGXIZWXNNXRKM-UHFFFAOYSA-N -1 3 358.785 3.194 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)c1cccc(C)c1Cl ZINC000826172644 608371210 /nfs/dbraw/zinc/37/12/10/608371210.db2.gz PZGXIZWXNNXRKM-UHFFFAOYSA-N -1 3 358.785 3.194 20 0 FGADHM Oc1cccc(CNc2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)c1 ZINC000826511572 608372449 /nfs/dbraw/zinc/37/24/49/608372449.db2.gz VUKURMVPSOKBEM-UHFFFAOYSA-N -1 3 354.320 3.011 20 0 FGADHM Oc1cccc(CNc2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)c1 ZINC000826511572 608372451 /nfs/dbraw/zinc/37/24/51/608372451.db2.gz VUKURMVPSOKBEM-UHFFFAOYSA-N -1 3 354.320 3.011 20 0 FGADHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(N[C@H]3CCc4c3cccc4O)c2c1 ZINC000826264011 608381430 /nfs/dbraw/zinc/38/14/30/608381430.db2.gz ZKJQEVDPWUYEDT-KRWDZBQOSA-N -1 3 372.432 3.259 20 0 FGADHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(N[C@H]3CCc4c3cccc4O)c2c1 ZINC000826264011 608381431 /nfs/dbraw/zinc/38/14/31/608381431.db2.gz ZKJQEVDPWUYEDT-KRWDZBQOSA-N -1 3 372.432 3.259 20 0 FGADHM Fc1c(CN2CC=C(c3ccc(Cl)nc3)CC2)cccc1-c1nnn[n-]1 ZINC000826370167 608421370 /nfs/dbraw/zinc/42/13/70/608421370.db2.gz GYKKCQUGWSKHGP-UHFFFAOYSA-N -1 3 370.819 3.344 20 0 FGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)c1ccccc1C(F)(F)F ZINC000826466623 608437483 /nfs/dbraw/zinc/43/74/83/608437483.db2.gz MGPHBSKLOYPVPK-UHFFFAOYSA-N -1 3 366.274 3.382 20 0 FGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)c1ccccc1C(F)(F)F ZINC000826466623 608437484 /nfs/dbraw/zinc/43/74/84/608437484.db2.gz MGPHBSKLOYPVPK-UHFFFAOYSA-N -1 3 366.274 3.382 20 0 FGADHM CC(C)c1cccc(OCC(=O)OCc2cccc(-c3nnn[n-]3)c2F)c1 ZINC000824352802 608442407 /nfs/dbraw/zinc/44/24/07/608442407.db2.gz OLICCKPELLILIJ-UHFFFAOYSA-N -1 3 370.384 3.251 20 0 FGADHM CC(C)c1cccc(OCC(=O)OCc2cccc(-c3nn[n-]n3)c2F)c1 ZINC000824352802 608442409 /nfs/dbraw/zinc/44/24/09/608442409.db2.gz OLICCKPELLILIJ-UHFFFAOYSA-N -1 3 370.384 3.251 20 0 FGADHM Cc1ccccc1C1(C(=O)OCc2cccc(-c3nnn[n-]3)c2F)CC1 ZINC000826306819 608446339 /nfs/dbraw/zinc/44/63/39/608446339.db2.gz MHHISSVMWFUBIT-UHFFFAOYSA-N -1 3 352.369 3.089 20 0 FGADHM Cc1ccccc1C1(C(=O)OCc2cccc(-c3nn[n-]n3)c2F)CC1 ZINC000826306819 608446341 /nfs/dbraw/zinc/44/63/41/608446341.db2.gz MHHISSVMWFUBIT-UHFFFAOYSA-N -1 3 352.369 3.089 20 0 FGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000826466155 608448623 /nfs/dbraw/zinc/44/86/23/608448623.db2.gz QOIQQURHRVMRRO-OLZOCXBDSA-N -1 3 374.322 3.131 20 0 FGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000826466155 608448625 /nfs/dbraw/zinc/44/86/25/608448625.db2.gz QOIQQURHRVMRRO-OLZOCXBDSA-N -1 3 374.322 3.131 20 0 FGADHM C[C@@H](CCc1cccc(F)c1)C(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000824407535 608449238 /nfs/dbraw/zinc/44/92/38/608449238.db2.gz XNCVEKRKGQRXRT-LBPRGKRZSA-N -1 3 372.375 3.457 20 0 FGADHM C[C@@H](CCc1cccc(F)c1)C(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000824407535 608449239 /nfs/dbraw/zinc/44/92/39/608449239.db2.gz XNCVEKRKGQRXRT-LBPRGKRZSA-N -1 3 372.375 3.457 20 0 FGADHM C[C@H](OC(=O)CCC(=O)c1cccc(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824715338 608452667 /nfs/dbraw/zinc/45/26/67/608452667.db2.gz RKECEKVABPJERK-LBPRGKRZSA-N -1 3 368.368 3.273 20 0 FGADHM C[C@H](OC(=O)CCC(=O)c1cccc(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824715338 608452670 /nfs/dbraw/zinc/45/26/70/608452670.db2.gz RKECEKVABPJERK-LBPRGKRZSA-N -1 3 368.368 3.273 20 0 FGADHM CC[C@@H](OC(=O)c1cc(-c2nnn[n-]2)cn1C)c1ccc(Cl)cc1F ZINC000825154353 608456369 /nfs/dbraw/zinc/45/63/69/608456369.db2.gz NUHZJWQQBRKCDH-CQSZACIVSA-N -1 3 363.780 3.306 20 0 FGADHM CC[C@@H](OC(=O)c1cc(-c2nn[n-]n2)cn1C)c1ccc(Cl)cc1F ZINC000825154353 608456371 /nfs/dbraw/zinc/45/63/71/608456371.db2.gz NUHZJWQQBRKCDH-CQSZACIVSA-N -1 3 363.780 3.306 20 0 FGADHM CSc1cccc(NC(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)c1C ZINC000826230618 608473563 /nfs/dbraw/zinc/47/35/63/608473563.db2.gz BOSBSIFHDQZLGS-GFCCVEGCSA-N -1 3 369.450 3.303 20 0 FGADHM C[C@H](C(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1)c1cccs1 ZINC000824040988 608484389 /nfs/dbraw/zinc/48/43/89/608484389.db2.gz WDWKJZYQOSTAOO-ZDUSSCGKSA-N -1 3 365.462 3.348 20 0 FGADHM C[C@H](C(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1)c1cccs1 ZINC000824040988 608484390 /nfs/dbraw/zinc/48/43/90/608484390.db2.gz WDWKJZYQOSTAOO-ZDUSSCGKSA-N -1 3 365.462 3.348 20 0 FGADHM CN(Cc1cccc(-c2nn[n-]n2)c1)Cc1c(F)cccc1N1CCCC1 ZINC000825976565 608524407 /nfs/dbraw/zinc/52/44/07/608524407.db2.gz LRLCFJHDEBUJLO-UHFFFAOYSA-N -1 3 366.444 3.238 20 0 FGADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1ccc(-c2ccc[nH]2)cc1 ZINC000824757671 608559834 /nfs/dbraw/zinc/55/98/34/608559834.db2.gz ZYJPSGWRUNFZSK-CYBMUJFWSA-N -1 3 374.404 3.268 20 0 FGADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1ccc(-c2ccc[nH]2)cc1 ZINC000824757671 608559836 /nfs/dbraw/zinc/55/98/36/608559836.db2.gz ZYJPSGWRUNFZSK-CYBMUJFWSA-N -1 3 374.404 3.268 20 0 FGADHM Clc1ccccc1-n1cc(NCc2ccc(-c3nnn[n-]3)s2)cn1 ZINC000826353588 608569054 /nfs/dbraw/zinc/56/90/54/608569054.db2.gz WEKSDSVJESDVGR-UHFFFAOYSA-N -1 3 357.830 3.379 20 0 FGADHM O=C(Nc1nc(C(F)(F)F)cs1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826459941 608576229 /nfs/dbraw/zinc/57/62/29/608576229.db2.gz GREKBNOXQNRWJF-UHFFFAOYSA-N -1 3 374.735 3.248 20 0 FGADHM O=C(Nc1nc(C(F)(F)F)cs1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826459941 608576231 /nfs/dbraw/zinc/57/62/31/608576231.db2.gz GREKBNOXQNRWJF-UHFFFAOYSA-N -1 3 374.735 3.248 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@@H]1CCc2c1cccc2Cl ZINC000826173931 608580580 /nfs/dbraw/zinc/58/05/80/608580580.db2.gz BNGODUPRAUENMU-CYBMUJFWSA-N -1 3 370.796 3.164 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@@H]1CCc2c1cccc2Cl ZINC000826173931 608580582 /nfs/dbraw/zinc/58/05/82/608580582.db2.gz BNGODUPRAUENMU-CYBMUJFWSA-N -1 3 370.796 3.164 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H]1CCc2c1cccc2Cl ZINC000826185867 608584224 /nfs/dbraw/zinc/58/42/24/608584224.db2.gz WLXOOUBYRRPNQY-ZDUSSCGKSA-N -1 3 369.812 3.197 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H]1CCc2c1cccc2Cl ZINC000826185867 608584225 /nfs/dbraw/zinc/58/42/25/608584225.db2.gz WLXOOUBYRRPNQY-ZDUSSCGKSA-N -1 3 369.812 3.197 20 0 FGADHM Cc1c(NC(=O)c2cnn(CC(C)C)c2C2CC2)cccc1-c1nnn[n-]1 ZINC000826242479 608623763 /nfs/dbraw/zinc/62/37/63/608623763.db2.gz QTMUWBQLXUHWMJ-UHFFFAOYSA-N -1 3 365.441 3.157 20 0 FGADHM Cc1c(NC(=O)c2cnn(CC(C)C)c2C2CC2)cccc1-c1nn[n-]n1 ZINC000826242479 608623765 /nfs/dbraw/zinc/62/37/65/608623765.db2.gz QTMUWBQLXUHWMJ-UHFFFAOYSA-N -1 3 365.441 3.157 20 0 FGADHM C[C@H]1CN(Cc2cc(-c3nnn[n-]3)cs2)C[C@H](c2ccc(F)cc2)O1 ZINC000824984529 608718843 /nfs/dbraw/zinc/71/88/43/608718843.db2.gz LABOQEQNAXKHKL-MEDUHNTESA-N -1 3 359.430 3.029 20 0 FGADHM C[C@H]1CN(Cc2cc(-c3nn[n-]n3)cs2)C[C@H](c2ccc(F)cc2)O1 ZINC000824984529 608718844 /nfs/dbraw/zinc/71/88/44/608718844.db2.gz LABOQEQNAXKHKL-MEDUHNTESA-N -1 3 359.430 3.029 20 0 FGADHM Cc1ccccc1[C@H]1CN(Cc2cc(-c3nnn[n-]3)cs2)[C@H](C)CO1 ZINC000826307237 608721408 /nfs/dbraw/zinc/72/14/08/608721408.db2.gz ZPWYLLZWABQHOZ-CXAGYDPISA-N -1 3 355.467 3.199 20 0 FGADHM Cc1ccccc1[C@H]1CN(Cc2cc(-c3nn[n-]n3)cs2)[C@H](C)CO1 ZINC000826307237 608721410 /nfs/dbraw/zinc/72/14/10/608721410.db2.gz ZPWYLLZWABQHOZ-CXAGYDPISA-N -1 3 355.467 3.199 20 0 FGADHM Cc1ccc(C)c([C@@H]2CN(Cc3ccc(-c4nnn[n-]4)o3)[C@@H](C)CO2)c1 ZINC000826285392 608728844 /nfs/dbraw/zinc/72/88/44/608728844.db2.gz YNZZXCGIGXKQMA-KSSFIOAISA-N -1 3 353.426 3.039 20 0 FGADHM Cc1ccc(C)c([C@@H]2CN(Cc3ccc(-c4nn[n-]n4)o3)[C@@H](C)CO2)c1 ZINC000826285392 608728845 /nfs/dbraw/zinc/72/88/45/608728845.db2.gz YNZZXCGIGXKQMA-KSSFIOAISA-N -1 3 353.426 3.039 20 0 FGADHM Cc1ccc(C)c([C@H]2CN(Cc3ccc(-c4nnn[n-]4)o3)[C@H](C)CO2)c1 ZINC000826285393 608729206 /nfs/dbraw/zinc/72/92/06/608729206.db2.gz YNZZXCGIGXKQMA-RDTXWAMCSA-N -1 3 353.426 3.039 20 0 FGADHM Cc1ccc(C)c([C@H]2CN(Cc3ccc(-c4nn[n-]n4)o3)[C@H](C)CO2)c1 ZINC000826285393 608729209 /nfs/dbraw/zinc/72/92/09/608729209.db2.gz YNZZXCGIGXKQMA-RDTXWAMCSA-N -1 3 353.426 3.039 20 0 FGADHM COc1ccc(C=C(C)c2nc(=O)c3ccsc3[nH]2)cc1-c1nnn[n-]1 ZINC000826190935 608753239 /nfs/dbraw/zinc/75/32/39/608753239.db2.gz RIUUENKWCODAOD-CLFYSBASSA-N -1 3 366.406 3.146 20 0 FGADHM COc1ccc(C=C(C)c2nc(=O)c3ccsc3[nH]2)cc1-c1nn[n-]n1 ZINC000826190935 608753240 /nfs/dbraw/zinc/75/32/40/608753240.db2.gz RIUUENKWCODAOD-CLFYSBASSA-N -1 3 366.406 3.146 20 0 FGADHM Cc1ccc(Cl)cc1N1CC[C@H](CNc2cnccc2-c2nnn[n-]2)C1 ZINC000826289114 608779096 /nfs/dbraw/zinc/77/90/96/608779096.db2.gz LALUHWXPIUXKOE-CYBMUJFWSA-N -1 3 369.860 3.162 20 0 FGADHM Cc1ccc(Cl)cc1N1CC[C@H](CNc2cnccc2-c2nn[n-]n2)C1 ZINC000826289114 608779100 /nfs/dbraw/zinc/77/91/00/608779100.db2.gz LALUHWXPIUXKOE-CYBMUJFWSA-N -1 3 369.860 3.162 20 0 FGADHM C[C@@H]1c2ccc(F)cc2C[C@H](C)N1C(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000825012838 608825115 /nfs/dbraw/zinc/82/51/15/608825115.db2.gz MHESEXPMTRDKNO-QWHCGFSZSA-N -1 3 365.412 3.083 20 0 FGADHM C[C@@H]1c2ccc(F)cc2C[C@H](C)N1C(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000825012838 608825118 /nfs/dbraw/zinc/82/51/18/608825118.db2.gz MHESEXPMTRDKNO-QWHCGFSZSA-N -1 3 365.412 3.083 20 0 FGADHM C/C(=C\c1ccccc1)CN1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000823943393 608852817 /nfs/dbraw/zinc/85/28/17/608852817.db2.gz PNZMWOAJWXPOJE-ZRNYNZGJSA-N -1 3 361.449 3.344 20 0 FGADHM Fc1cccc(F)c1CN1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826377503 608858509 /nfs/dbraw/zinc/85/85/09/608858509.db2.gz USWGKEJTFZTTDE-UHFFFAOYSA-N -1 3 353.376 3.434 20 0 FGADHM Cc1nc(CN[C@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)nc2ccccc12 ZINC000826326153 609140796 /nfs/dbraw/zinc/14/07/96/609140796.db2.gz CWDXVBBZLPWCFY-LLVKDONJSA-N -1 3 363.400 3.108 20 0 FGADHM Cc1nc(CN[C@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)nc2ccccc12 ZINC000826326153 609140797 /nfs/dbraw/zinc/14/07/97/609140797.db2.gz CWDXVBBZLPWCFY-LLVKDONJSA-N -1 3 363.400 3.108 20 0 FGADHM C[C@H](N[C@H]1COc2ccc(Cl)cc21)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824553824 609152816 /nfs/dbraw/zinc/15/28/16/609152816.db2.gz IPMPAVSFYRZMDS-VFZGTOFNSA-N -1 3 359.792 3.444 20 0 FGADHM C[C@H](N[C@H]1COc2ccc(Cl)cc21)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824553824 609152817 /nfs/dbraw/zinc/15/28/17/609152817.db2.gz IPMPAVSFYRZMDS-VFZGTOFNSA-N -1 3 359.792 3.444 20 0 FGADHM COc1ccc(N[C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)cc1OC ZINC000826210372 609161357 /nfs/dbraw/zinc/16/13/57/609161357.db2.gz ONUNENWAPLKBOG-MRXNPFEDSA-N -1 3 351.410 3.373 20 0 FGADHM COc1ccc(N[C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)cc1OC ZINC000826210372 609161358 /nfs/dbraw/zinc/16/13/58/609161358.db2.gz ONUNENWAPLKBOG-MRXNPFEDSA-N -1 3 351.410 3.373 20 0 FGADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)C2CC(C)C2)c1-c1nnn[n-]1 ZINC000826233639 609168133 /nfs/dbraw/zinc/16/81/33/609168133.db2.gz PPYDSOZPDZBTLI-UHFFFAOYSA-N -1 3 350.426 3.259 20 0 FGADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)C2CC(C)C2)c1-c1nn[n-]n1 ZINC000826233639 609168134 /nfs/dbraw/zinc/16/81/34/609168134.db2.gz PPYDSOZPDZBTLI-UHFFFAOYSA-N -1 3 350.426 3.259 20 0 FGADHM CC(C)C[C@H]1C[C@H](Nc2nc3ccccc3cc2-c2nnn[n-]2)CCO1 ZINC000824244435 609171286 /nfs/dbraw/zinc/17/12/86/609171286.db2.gz RIEFCPFHVONHHJ-CABCVRRESA-N -1 3 352.442 3.421 20 0 FGADHM CC(C)C[C@H]1C[C@H](Nc2nc3ccccc3cc2-c2nn[n-]n2)CCO1 ZINC000824244435 609171288 /nfs/dbraw/zinc/17/12/88/609171288.db2.gz RIEFCPFHVONHHJ-CABCVRRESA-N -1 3 352.442 3.421 20 0 FGADHM Cc1cc(CN2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)ccc1Cl ZINC000826266139 609172480 /nfs/dbraw/zinc/17/24/80/609172480.db2.gz DCBRASKEWVMMQR-GOSISDBHSA-N -1 3 369.856 3.402 20 0 FGADHM Cc1cc(CN2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)ccc1Cl ZINC000826266139 609172482 /nfs/dbraw/zinc/17/24/82/609172482.db2.gz DCBRASKEWVMMQR-GOSISDBHSA-N -1 3 369.856 3.402 20 0 FGADHM C[C@@H]1CN(Cc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)c2ccccc21 ZINC000824992295 609173645 /nfs/dbraw/zinc/17/36/45/609173645.db2.gz LRTHEZBWIZWRNV-CQSZACIVSA-N -1 3 371.448 3.391 20 0 FGADHM C[C@@H]1CN(Cc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)c2ccccc21 ZINC000824992295 609173647 /nfs/dbraw/zinc/17/36/47/609173647.db2.gz LRTHEZBWIZWRNV-CQSZACIVSA-N -1 3 371.448 3.391 20 0 FGADHM FC(F)(F)c1cccc(OCCCOc2cccc(-c3nnn[n-]3)c2)n1 ZINC000826368995 609181240 /nfs/dbraw/zinc/18/12/40/609181240.db2.gz IWXLTTFOBALUOG-UHFFFAOYSA-N -1 3 365.315 3.128 20 0 FGADHM FC(F)(F)c1cccc(OCCCOc2cccc(-c3nn[n-]n3)c2)n1 ZINC000826368995 609181241 /nfs/dbraw/zinc/18/12/41/609181241.db2.gz IWXLTTFOBALUOG-UHFFFAOYSA-N -1 3 365.315 3.128 20 0 FGADHM C[C@@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1ccc(Oc2ccccc2)cc1 ZINC000824515644 609204830 /nfs/dbraw/zinc/20/48/30/609204830.db2.gz UJKVNIDXFFMWCI-CYBMUJFWSA-N -1 3 374.404 3.478 20 0 FGADHM C[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccc(Oc2ccccc2)cc1 ZINC000824515644 609204831 /nfs/dbraw/zinc/20/48/31/609204831.db2.gz UJKVNIDXFFMWCI-CYBMUJFWSA-N -1 3 374.404 3.478 20 0 FGADHM CCCCN(Cc1ccccc1Cl)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000825285545 609206908 /nfs/dbraw/zinc/20/69/08/609206908.db2.gz ZXSDIUNNUAVVOB-UHFFFAOYSA-N -1 3 358.833 3.291 20 0 FGADHM CCCCN(Cc1ccccc1Cl)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000825285545 609206910 /nfs/dbraw/zinc/20/69/10/609206910.db2.gz ZXSDIUNNUAVVOB-UHFFFAOYSA-N -1 3 358.833 3.291 20 0 FGADHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N(Cc1ccccc1F)C1CCCCC1 ZINC000826468739 609212507 /nfs/dbraw/zinc/21/25/07/609212507.db2.gz FVIQJYGHJIAUEK-UHFFFAOYSA-N -1 3 368.416 3.309 20 0 FGADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N(Cc1ccccc1F)C1CCCCC1 ZINC000826468739 609212509 /nfs/dbraw/zinc/21/25/09/609212509.db2.gz FVIQJYGHJIAUEK-UHFFFAOYSA-N -1 3 368.416 3.309 20 0 FGADHM Cc1cccc(-c2ccc(CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)cc2)c1 ZINC000826295619 609215035 /nfs/dbraw/zinc/21/50/35/609215035.db2.gz PWAZBTXWUWYOKO-UHFFFAOYSA-N -1 3 358.405 3.100 20 0 FGADHM Cc1cccc(-c2ccc(CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)cc2)c1 ZINC000826295619 609215037 /nfs/dbraw/zinc/21/50/37/609215037.db2.gz PWAZBTXWUWYOKO-UHFFFAOYSA-N -1 3 358.405 3.100 20 0 FGADHM Cc1cc(C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)nn1[C@@H](C)C1CC1 ZINC000826260779 609234039 /nfs/dbraw/zinc/23/40/39/609234039.db2.gz DNJSMBLUFCWQJR-STQMWFEESA-N -1 3 366.425 3.261 20 0 FGADHM Cc1cc(C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)nn1[C@@H](C)C1CC1 ZINC000826260779 609234040 /nfs/dbraw/zinc/23/40/40/609234040.db2.gz DNJSMBLUFCWQJR-STQMWFEESA-N -1 3 366.425 3.261 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H](OC)c1ccccc1 ZINC000825332617 609236659 /nfs/dbraw/zinc/23/66/59/609236659.db2.gz KFIPFFJYHRLCOD-QGZVFWFLSA-N -1 3 366.425 3.015 20 0 FGADHM C[C@H](OC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000824716283 609256073 /nfs/dbraw/zinc/25/60/73/609256073.db2.gz XPDVRCLBCHWGHP-KBXCAEBGSA-N -1 3 363.421 3.140 20 0 FGADHM CN(Cc1cc(F)c(F)c(F)c1)Cc1ccc(-c2nnn[n-]2)cc1F ZINC000825953691 609261329 /nfs/dbraw/zinc/26/13/29/609261329.db2.gz LQAFEARJGUIIPL-UHFFFAOYSA-N -1 3 351.307 3.055 20 0 FGADHM CN(Cc1cc(F)c(F)c(F)c1)Cc1ccc(-c2nn[n-]n2)cc1F ZINC000825953691 609261330 /nfs/dbraw/zinc/26/13/30/609261330.db2.gz LQAFEARJGUIIPL-UHFFFAOYSA-N -1 3 351.307 3.055 20 0 FGADHM Cc1nc2c(s1)[C@@H](NC(=O)c1ccc(Cl)c(-c3nnn[n-]3)c1)CCC2 ZINC000826328096 609264379 /nfs/dbraw/zinc/26/43/79/609264379.db2.gz GDKGTMICQFYZDR-ZDUSSCGKSA-N -1 3 374.857 3.092 20 0 FGADHM Cc1nc2c(s1)[C@@H](NC(=O)c1ccc(Cl)c(-c3nn[n-]n3)c1)CCC2 ZINC000826328096 609264380 /nfs/dbraw/zinc/26/43/80/609264380.db2.gz GDKGTMICQFYZDR-ZDUSSCGKSA-N -1 3 374.857 3.092 20 0 FGADHM O=C(COc1ccc2c(c1)CCC2)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826418223 609268173 /nfs/dbraw/zinc/26/81/73/609268173.db2.gz WCVBPIHWCCDGFL-UHFFFAOYSA-N -1 3 369.812 3.026 20 0 FGADHM O=C(COc1ccc2c(c1)CCC2)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826418223 609268176 /nfs/dbraw/zinc/26/81/76/609268176.db2.gz WCVBPIHWCCDGFL-UHFFFAOYSA-N -1 3 369.812 3.026 20 0 FGADHM Cc1c(C(=O)Oc2ccc(-c3nnn[n-]3)cc2)cnn1C1CCCCC1 ZINC000826235109 609269066 /nfs/dbraw/zinc/26/90/66/609269066.db2.gz BPZCJISSSLUXII-UHFFFAOYSA-N -1 3 352.398 3.096 20 0 FGADHM Cc1c(C(=O)Oc2ccc(-c3nn[n-]n3)cc2)cnn1C1CCCCC1 ZINC000826235109 609269068 /nfs/dbraw/zinc/26/90/68/609269068.db2.gz BPZCJISSSLUXII-UHFFFAOYSA-N -1 3 352.398 3.096 20 0 FGADHM CN1CCOc2ccc(N[C@H]3CCCc4cc(-c5nnn[n-]5)ccc43)cc21 ZINC000826044628 609279915 /nfs/dbraw/zinc/27/99/15/609279915.db2.gz IKQKRFBQMFOMDJ-KRWDZBQOSA-N -1 3 362.437 3.185 20 0 FGADHM CN1CCOc2ccc(N[C@H]3CCCc4cc(-c5nn[n-]n5)ccc43)cc21 ZINC000826044628 609279917 /nfs/dbraw/zinc/27/99/17/609279917.db2.gz IKQKRFBQMFOMDJ-KRWDZBQOSA-N -1 3 362.437 3.185 20 0 FGADHM C[C@H](Nc1ccc(N2CCO[C@H](C)C2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824993362 609280075 /nfs/dbraw/zinc/28/00/75/609280075.db2.gz QERRMMXDZZZEAQ-CABCVRRESA-N -1 3 364.453 3.265 20 0 FGADHM C[C@H](Nc1ccc(N2CCO[C@H](C)C2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824993362 609280077 /nfs/dbraw/zinc/28/00/77/609280077.db2.gz QERRMMXDZZZEAQ-CABCVRRESA-N -1 3 364.453 3.265 20 0 FGADHM O=C(Nc1ccc(F)cc1NC1CC1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826454949 609302251 /nfs/dbraw/zinc/30/22/51/609302251.db2.gz SBQIINXOUFJNJE-UHFFFAOYSA-N -1 3 372.791 3.486 20 0 FGADHM O=C(Nc1ccc(F)cc1NC1CC1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826454949 609302253 /nfs/dbraw/zinc/30/22/53/609302253.db2.gz SBQIINXOUFJNJE-UHFFFAOYSA-N -1 3 372.791 3.486 20 0 FGADHM Cc1nc(C)c(-c2nnn[n-]2)c(S[C@@H](C)c2nc3ccccc3o2)n1 ZINC000826324035 609307617 /nfs/dbraw/zinc/30/76/17/609307617.db2.gz BOQUZCAPDLLPAM-VIFPVBQESA-N -1 3 353.411 3.268 20 0 FGADHM Cc1nnc(SCc2ccc(OC(C)C)cc2)c(-c2nnn[n-]2)c1C ZINC000826337648 609307803 /nfs/dbraw/zinc/30/78/03/609307803.db2.gz VTKKLPVJPIAWDD-UHFFFAOYSA-N -1 3 356.455 3.353 20 0 FGADHM Cc1nnc(SCc2ccc(OC(C)C)cc2)c(-c2nn[n-]n2)c1C ZINC000826337648 609307805 /nfs/dbraw/zinc/30/78/05/609307805.db2.gz VTKKLPVJPIAWDD-UHFFFAOYSA-N -1 3 356.455 3.353 20 0 FGADHM Cc1cnc(SCc2ccc(-c3nnn[n-]3)cc2Br)nc1 ZINC000826318851 609309800 /nfs/dbraw/zinc/30/98/00/609309800.db2.gz CLQFKARWEWQSCY-UHFFFAOYSA-N -1 3 363.244 3.020 20 0 FGADHM Cc1cnc(SCc2ccc(-c3nn[n-]n3)cc2Br)nc1 ZINC000826318851 609309802 /nfs/dbraw/zinc/30/98/02/609309802.db2.gz CLQFKARWEWQSCY-UHFFFAOYSA-N -1 3 363.244 3.020 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H](F)Cc1ccccc1 ZINC000825313315 609312797 /nfs/dbraw/zinc/31/27/97/609312797.db2.gz ANICLCLQZPQLCJ-GOSISDBHSA-N -1 3 367.428 3.186 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H](F)Cc1ccccc1 ZINC000825313315 609312800 /nfs/dbraw/zinc/31/28/00/609312800.db2.gz ANICLCLQZPQLCJ-GOSISDBHSA-N -1 3 367.428 3.186 20 0 FGADHM CN(Cc1ccc[nH]1)C(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000825971749 609325691 /nfs/dbraw/zinc/32/56/91/609325691.db2.gz NKGPDAFYWITRAH-UHFFFAOYSA-N -1 3 374.404 3.259 20 0 FGADHM CN(Cc1ccc[nH]1)C(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000825971749 609325693 /nfs/dbraw/zinc/32/56/93/609325693.db2.gz NKGPDAFYWITRAH-UHFFFAOYSA-N -1 3 374.404 3.259 20 0 FGADHM CCC(=O)Nc1cccc(CN[C@@H](C)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000825034387 609328258 /nfs/dbraw/zinc/32/82/58/609328258.db2.gz JHMTWAKOZPTBCC-LBPRGKRZSA-N -1 3 368.416 3.205 20 0 FGADHM C[C@@H](Nc1ccc2c(c1)N(C)CCO2)c1ccc(-c2nnn[n-]2)cc1F ZINC000824656570 609349217 /nfs/dbraw/zinc/34/92/17/609349217.db2.gz MACDAHMLUVXVAJ-LLVKDONJSA-N -1 3 354.389 3.008 20 0 FGADHM C[C@@H](Nc1ccc2c(c1)N(C)CCO2)c1ccc(-c2nn[n-]n2)cc1F ZINC000824656570 609349220 /nfs/dbraw/zinc/34/92/20/609349220.db2.gz MACDAHMLUVXVAJ-LLVKDONJSA-N -1 3 354.389 3.008 20 0 FGADHM COC(=O)[C@H](Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)C1CC1 ZINC000826111773 609373003 /nfs/dbraw/zinc/37/30/03/609373003.db2.gz LVLQLHNRENDMCC-QGZVFWFLSA-N -1 3 365.393 3.023 20 0 FGADHM COC(=O)[C@H](Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)C1CC1 ZINC000826111773 609373006 /nfs/dbraw/zinc/37/30/06/609373006.db2.gz LVLQLHNRENDMCC-QGZVFWFLSA-N -1 3 365.393 3.023 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C[C@H]1CCO[C@@H](C(C)C)C1 ZINC000825621869 609378563 /nfs/dbraw/zinc/37/85/63/609378563.db2.gz ZQQKFYFXDRNAJY-SUMWQHHRSA-N -1 3 373.457 3.045 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C[C@H]1CCO[C@@H](C(C)C)C1 ZINC000825621869 609378567 /nfs/dbraw/zinc/37/85/67/609378567.db2.gz ZQQKFYFXDRNAJY-SUMWQHHRSA-N -1 3 373.457 3.045 20 0 FGADHM CC(C)(C)C[C@@H](NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)C(F)(F)F ZINC000824086914 609380627 /nfs/dbraw/zinc/38/06/27/609380627.db2.gz QJIBXDYSCGCADO-LLVKDONJSA-N -1 3 374.342 3.494 20 0 FGADHM CC(C)(C)C[C@@H](NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)C(F)(F)F ZINC000824086914 609380630 /nfs/dbraw/zinc/38/06/30/609380630.db2.gz QJIBXDYSCGCADO-LLVKDONJSA-N -1 3 374.342 3.494 20 0 FGADHM C[C@H](OC(=O)CCc1ccc(-c2nnn[n-]2)cc1)c1nc2ccccc2o1 ZINC000824716598 609403492 /nfs/dbraw/zinc/40/34/92/609403492.db2.gz YRPURYHPEDRMCG-LBPRGKRZSA-N -1 3 363.377 3.245 20 0 FGADHM C[C@H](OC(=O)CCc1ccc(-c2nn[n-]n2)cc1)c1nc2ccccc2o1 ZINC000824716598 609403494 /nfs/dbraw/zinc/40/34/94/609403494.db2.gz YRPURYHPEDRMCG-LBPRGKRZSA-N -1 3 363.377 3.245 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CC[C@]2(CC[C@H](C)C2)C1 ZINC000825620641 609404184 /nfs/dbraw/zinc/40/41/84/609404184.db2.gz FSPGKIWBAYZBBY-DJJJIMSYSA-N -1 3 370.457 3.309 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CC[C@]2(CC[C@H](C)C2)C1 ZINC000825620641 609404188 /nfs/dbraw/zinc/40/41/88/609404188.db2.gz FSPGKIWBAYZBBY-DJJJIMSYSA-N -1 3 370.457 3.309 20 0 FGADHM COc1ccc2c(c1)C[C@@H](C)N(C(=O)c1cccc(-c3nnn[n-]3)c1)[C@@H]2C ZINC000826212518 609408451 /nfs/dbraw/zinc/40/84/51/609408451.db2.gz TYIVNKLLBKZXPV-CHWSQXEVSA-N -1 3 363.421 3.023 20 0 FGADHM COc1ccc2c(c1)C[C@@H](C)N(C(=O)c1cccc(-c3nn[n-]n3)c1)[C@@H]2C ZINC000826212518 609408452 /nfs/dbraw/zinc/40/84/52/609408452.db2.gz TYIVNKLLBKZXPV-CHWSQXEVSA-N -1 3 363.421 3.023 20 0 FGADHM O=C1[C@H](Sc2cccc(F)c2)CCCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000826478180 609421434 /nfs/dbraw/zinc/42/14/34/609421434.db2.gz WCDYMUAVRRFUIP-MRXNPFEDSA-N -1 3 369.425 3.294 20 0 FGADHM O=C1[C@H](Sc2cccc(F)c2)CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826478180 609421437 /nfs/dbraw/zinc/42/14/37/609421437.db2.gz WCDYMUAVRRFUIP-MRXNPFEDSA-N -1 3 369.425 3.294 20 0 FGADHM CCC1(CC)CN(CN(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)C(=O)O1 ZINC000825170744 609425464 /nfs/dbraw/zinc/42/54/64/609425464.db2.gz GZHVPUOMHGENRD-UHFFFAOYSA-N -1 3 372.473 3.046 20 0 FGADHM CC(C)COc1ccc(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)cc1Cl ZINC000824270276 609426879 /nfs/dbraw/zinc/42/68/79/609426879.db2.gz ACKWWLACGDXJLE-UHFFFAOYSA-N -1 3 360.805 3.135 20 0 FGADHM CC(C)COc1ccc(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)cc1Cl ZINC000824270276 609426881 /nfs/dbraw/zinc/42/68/81/609426881.db2.gz ACKWWLACGDXJLE-UHFFFAOYSA-N -1 3 360.805 3.135 20 0 FGADHM Fc1cccc(CNc2ccn(-c3ccc(-c4nn[n-]n4)cc3Cl)n2)c1 ZINC000826376557 609445165 /nfs/dbraw/zinc/44/51/65/609445165.db2.gz JBKBSHIMNWQYBQ-UHFFFAOYSA-N -1 3 369.791 3.457 20 0 FGADHM CCN(CC)C(=O)[C@@H](C)Sc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000825399406 609450302 /nfs/dbraw/zinc/45/03/02/609450302.db2.gz SEBNWOQELUQQIZ-SECBINFHSA-N -1 3 373.404 3.235 20 0 FGADHM CCN(CC)C(=O)[C@@H](C)Sc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000825399406 609450304 /nfs/dbraw/zinc/45/03/04/609450304.db2.gz SEBNWOQELUQQIZ-SECBINFHSA-N -1 3 373.404 3.235 20 0 FGADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1csc2ccccc12 ZINC000824753040 609455943 /nfs/dbraw/zinc/45/59/43/609455943.db2.gz BJPVYKJMMFVRTC-NSHDSACASA-N -1 3 365.418 3.487 20 0 FGADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1csc2ccccc12 ZINC000824753040 609455945 /nfs/dbraw/zinc/45/59/45/609455945.db2.gz BJPVYKJMMFVRTC-NSHDSACASA-N -1 3 365.418 3.487 20 0 FGADHM Fc1cccc2c1SCC[C@@H]2Nc1nc2ccccn2c1-c1nnn[n-]1 ZINC000826378058 609462014 /nfs/dbraw/zinc/46/20/14/609462014.db2.gz SORJYQIRBDCJHT-LBPRGKRZSA-N -1 3 367.413 3.303 20 0 FGADHM Fc1cccc2c1SCC[C@@H]2Nc1nc2ccccn2c1-c1nn[n-]n1 ZINC000826378058 609462015 /nfs/dbraw/zinc/46/20/15/609462015.db2.gz SORJYQIRBDCJHT-LBPRGKRZSA-N -1 3 367.413 3.303 20 0 FGADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccc(-c2ccccc2)o1 ZINC000825958039 609478115 /nfs/dbraw/zinc/47/81/15/609478115.db2.gz LVNLXMHREOILIQ-UHFFFAOYSA-N -1 3 359.389 3.399 20 0 FGADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccc(-c2ccccc2)o1 ZINC000825958039 609478120 /nfs/dbraw/zinc/47/81/20/609478120.db2.gz LVNLXMHREOILIQ-UHFFFAOYSA-N -1 3 359.389 3.399 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NCc1ccc(SC)c(OC)c1 ZINC000826186897 609484197 /nfs/dbraw/zinc/48/41/97/609484197.db2.gz OPWCMMJDSAOPNA-UHFFFAOYSA-N -1 3 357.439 3.218 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NCc1ccc(SC)c(OC)c1 ZINC000826186897 609484199 /nfs/dbraw/zinc/48/41/99/609484199.db2.gz OPWCMMJDSAOPNA-UHFFFAOYSA-N -1 3 357.439 3.218 20 0 FGADHM CC[C@H]1CCCC[C@@H]1Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1 ZINC000825194361 609498566 /nfs/dbraw/zinc/49/85/66/609498566.db2.gz PVTABGUVLGTJHI-KSSFIOAISA-N -1 3 370.501 3.209 20 0 FGADHM CC[C@H]1CCCC[C@@H]1Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1 ZINC000825194361 609498569 /nfs/dbraw/zinc/49/85/69/609498569.db2.gz PVTABGUVLGTJHI-KSSFIOAISA-N -1 3 370.501 3.209 20 0 FGADHM Cc1c(Cl)cnc(NCc2nc3ccccc3s2)c1-c1nnn[n-]1 ZINC000826240089 609520039 /nfs/dbraw/zinc/52/00/39/609520039.db2.gz BFBRIYSDVYSAHV-UHFFFAOYSA-N -1 3 357.830 3.445 20 0 FGADHM Cc1c(Cl)cnc(NCc2nc3ccccc3s2)c1-c1nn[n-]n1 ZINC000826240089 609520041 /nfs/dbraw/zinc/52/00/41/609520041.db2.gz BFBRIYSDVYSAHV-UHFFFAOYSA-N -1 3 357.830 3.445 20 0 FGADHM CCC[C@H]1C[C@@H](C(=O)N(CC(C)C)c2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000825253565 609523776 /nfs/dbraw/zinc/52/37/76/609523776.db2.gz OFQAXMSRKSVYPF-WMZOPIPTSA-N -1 3 371.485 3.451 20 0 FGADHM CCC[C@H]1C[C@@H](C(=O)N(CC(C)C)c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000825253565 609523777 /nfs/dbraw/zinc/52/37/77/609523777.db2.gz OFQAXMSRKSVYPF-WMZOPIPTSA-N -1 3 371.485 3.451 20 0 FGADHM Cc1ccnc(N[C@@H](C)c2ccc(NC(=O)C3CC3)cc2)c1-c1nnn[n-]1 ZINC000826312051 609531624 /nfs/dbraw/zinc/53/16/24/609531624.db2.gz UUZSTVSOJIABRL-LBPRGKRZSA-N -1 3 363.425 3.092 20 0 FGADHM Cc1ccnc(N[C@@H](C)c2ccc(NC(=O)C3CC3)cc2)c1-c1nn[n-]n1 ZINC000826312051 609531626 /nfs/dbraw/zinc/53/16/26/609531626.db2.gz UUZSTVSOJIABRL-LBPRGKRZSA-N -1 3 363.425 3.092 20 0 FGADHM Cc1c(Cl)cnc(N2CCC(OCCC(C)C)CC2)c1-c1nnn[n-]1 ZINC000826238166 609536154 /nfs/dbraw/zinc/53/61/54/609536154.db2.gz YGTQNPUBQKPENT-UHFFFAOYSA-N -1 3 364.881 3.255 20 0 FGADHM Cc1c(Cl)cnc(N2CCC(OCCC(C)C)CC2)c1-c1nn[n-]n1 ZINC000826238166 609536156 /nfs/dbraw/zinc/53/61/56/609536156.db2.gz YGTQNPUBQKPENT-UHFFFAOYSA-N -1 3 364.881 3.255 20 0 FGADHM Cc1c(Cl)cnc(N2C[C@@H](C)O[C@@H](c3ccccc3)C2)c1-c1nnn[n-]1 ZINC000826237363 609539816 /nfs/dbraw/zinc/53/98/16/609539816.db2.gz XDLMMJTYGJDOCB-IAQYHMDHSA-N -1 3 370.844 3.190 20 0 FGADHM Cc1c(Cl)cnc(N2C[C@@H](C)O[C@@H](c3ccccc3)C2)c1-c1nn[n-]n1 ZINC000826237363 609539818 /nfs/dbraw/zinc/53/98/18/609539818.db2.gz XDLMMJTYGJDOCB-IAQYHMDHSA-N -1 3 370.844 3.190 20 0 FGADHM CCn1cncc1[C@@H]1CCCCN1c1ncc(Cl)c(C)c1-c1nnn[n-]1 ZINC000825804550 609544053 /nfs/dbraw/zinc/54/40/53/609544053.db2.gz DNRZBOARWHATQA-ZDUSSCGKSA-N -1 3 372.864 3.172 20 0 FGADHM CCn1cncc1[C@@H]1CCCCN1c1ncc(Cl)c(C)c1-c1nn[n-]n1 ZINC000825804550 609544055 /nfs/dbraw/zinc/54/40/55/609544055.db2.gz DNRZBOARWHATQA-ZDUSSCGKSA-N -1 3 372.864 3.172 20 0 FGADHM Cc1ccnc(N[C@@H]2CCc3c2cccc3Br)c1-c1nnn[n-]1 ZINC000826312500 609547729 /nfs/dbraw/zinc/54/77/29/609547729.db2.gz GEIDCPLKFVOGIX-CYBMUJFWSA-N -1 3 371.242 3.432 20 0 FGADHM Cc1ccnc(N[C@@H]2CCc3c2cccc3Br)c1-c1nn[n-]n1 ZINC000826312500 609547730 /nfs/dbraw/zinc/54/77/30/609547730.db2.gz GEIDCPLKFVOGIX-CYBMUJFWSA-N -1 3 371.242 3.432 20 0 FGADHM Cc1ccnc(N[C@H]2CCc3c2cccc3Br)c1-c1nnn[n-]1 ZINC000826312501 609547980 /nfs/dbraw/zinc/54/79/80/609547980.db2.gz GEIDCPLKFVOGIX-ZDUSSCGKSA-N -1 3 371.242 3.432 20 0 FGADHM Cc1ccnc(N[C@H]2CCc3c2cccc3Br)c1-c1nn[n-]n1 ZINC000826312501 609547982 /nfs/dbraw/zinc/54/79/82/609547982.db2.gz GEIDCPLKFVOGIX-ZDUSSCGKSA-N -1 3 371.242 3.432 20 0 FGADHM Cc1c(Cl)cnc(N2CC[C@H](c3ccccc3F)C2)c1-c1nnn[n-]1 ZINC000826237493 609549402 /nfs/dbraw/zinc/54/94/02/609549402.db2.gz BOJGTOYYEDBWCO-NSHDSACASA-N -1 3 358.808 3.357 20 0 FGADHM Cc1c(Cl)cnc(N2CC[C@H](c3ccccc3F)C2)c1-c1nn[n-]n1 ZINC000826237493 609549403 /nfs/dbraw/zinc/54/94/03/609549403.db2.gz BOJGTOYYEDBWCO-NSHDSACASA-N -1 3 358.808 3.357 20 0 FGADHM COc1ccc2c(c1)OCC[C@@H]2Nc1ncc(Cl)c(C)c1-c1nnn[n-]1 ZINC000826212846 609559757 /nfs/dbraw/zinc/55/97/57/609559757.db2.gz CTVKLQHUMRXNEJ-ZDUSSCGKSA-N -1 3 372.816 3.168 20 0 FGADHM COc1ccc2c(c1)OCC[C@@H]2Nc1ncc(Cl)c(C)c1-c1nn[n-]n1 ZINC000826212846 609559760 /nfs/dbraw/zinc/55/97/60/609559760.db2.gz CTVKLQHUMRXNEJ-ZDUSSCGKSA-N -1 3 372.816 3.168 20 0 FGADHM Cc1nc2c(s1)[C@H](Nc1nc3c(cc1-c1nnn[n-]1)CCCC3)CCC2 ZINC000826328414 609566277 /nfs/dbraw/zinc/56/62/77/609566277.db2.gz QIUMZRPCTLLMJM-OAHLLOKOSA-N -1 3 367.482 3.395 20 0 FGADHM Cc1nc2c(s1)[C@H](Nc1nc3c(cc1-c1nn[n-]n1)CCCC3)CCC2 ZINC000826328414 609566279 /nfs/dbraw/zinc/56/62/79/609566279.db2.gz QIUMZRPCTLLMJM-OAHLLOKOSA-N -1 3 367.482 3.395 20 0 FGADHM Cc1ccc(C)c([C@@H]2CN(c3nccc(C)c3-c3nnn[n-]3)[C@@H](C)CO2)c1 ZINC000826284794 609570159 /nfs/dbraw/zinc/57/01/59/609570159.db2.gz GFIBEBFICJHPNB-RDJZCZTQSA-N -1 3 364.453 3.153 20 0 FGADHM Cc1ccc(C)c([C@@H]2CN(c3nccc(C)c3-c3nn[n-]n3)[C@@H](C)CO2)c1 ZINC000826284794 609570162 /nfs/dbraw/zinc/57/01/62/609570162.db2.gz GFIBEBFICJHPNB-RDJZCZTQSA-N -1 3 364.453 3.153 20 0 FGADHM Cc1ccnc(N2CC(OCc3cccc4ccccc43)C2)c1-c1nnn[n-]1 ZINC000826309105 609572480 /nfs/dbraw/zinc/57/24/80/609572480.db2.gz DIJJMUXFRQSTNM-UHFFFAOYSA-N -1 3 372.432 3.129 20 0 FGADHM Cc1ccnc(N2CC(OCc3cccc4ccccc43)C2)c1-c1nn[n-]n1 ZINC000826309105 609572482 /nfs/dbraw/zinc/57/24/82/609572482.db2.gz DIJJMUXFRQSTNM-UHFFFAOYSA-N -1 3 372.432 3.129 20 0 FGADHM Cc1ccnc(N[C@@H](C[C@H]2CCOC2)c2ccccc2)c1-c1nnn[n-]1 ZINC000826311797 609581027 /nfs/dbraw/zinc/58/10/27/609581027.db2.gz NSTBFJUAPKHQHV-ZBFHGGJFSA-N -1 3 350.426 3.150 20 0 FGADHM Cc1ccnc(N[C@@H](C[C@H]2CCOC2)c2ccccc2)c1-c1nn[n-]n1 ZINC000826311797 609581028 /nfs/dbraw/zinc/58/10/28/609581028.db2.gz NSTBFJUAPKHQHV-ZBFHGGJFSA-N -1 3 350.426 3.150 20 0 FGADHM Cc1ccnc(N2CCCC[C@H]2c2nc3ccccc3o2)c1-c1nnn[n-]1 ZINC000826310828 609583295 /nfs/dbraw/zinc/58/32/95/609583295.db2.gz JMZFNJWSACCANT-AWEZNQCLSA-N -1 3 361.409 3.443 20 0 FGADHM Cc1ccnc(N2CCCC[C@H]2c2nc3ccccc3o2)c1-c1nn[n-]n1 ZINC000826310828 609583297 /nfs/dbraw/zinc/58/32/97/609583297.db2.gz JMZFNJWSACCANT-AWEZNQCLSA-N -1 3 361.409 3.443 20 0 FGADHM COc1cccc([C@H]2C[C@@H](C)CN2c2nccc(C)c2-c2nnn[n-]2)c1 ZINC000826215301 609593129 /nfs/dbraw/zinc/59/31/29/609593129.db2.gz LEWUVLBYZUTKRR-MLGOLLRUSA-N -1 3 350.426 3.166 20 0 FGADHM COc1cccc([C@H]2C[C@@H](C)CN2c2nccc(C)c2-c2nn[n-]n2)c1 ZINC000826215301 609593130 /nfs/dbraw/zinc/59/31/30/609593130.db2.gz LEWUVLBYZUTKRR-MLGOLLRUSA-N -1 3 350.426 3.166 20 0 FGADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)N1CCC[C@H]1/C=C\c1ccccc1 ZINC000826442264 609594146 /nfs/dbraw/zinc/59/41/46/609594146.db2.gz OXMBQVCNUKRBTP-JZHDPFOFSA-N -1 3 374.448 3.254 20 0 FGADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)N1CCC[C@H]1/C=C\c1ccccc1 ZINC000826442264 609594147 /nfs/dbraw/zinc/59/41/47/609594147.db2.gz OXMBQVCNUKRBTP-JZHDPFOFSA-N -1 3 374.448 3.254 20 0 FGADHM C[C@@H](Oc1ccccc1)C(=O)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000824745950 609615794 /nfs/dbraw/zinc/61/57/94/609615794.db2.gz UIGOVNRPYLRVIB-LLVKDONJSA-N -1 3 358.785 3.031 20 0 FGADHM C[C@@H](Oc1ccccc1)C(=O)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000824745950 609615796 /nfs/dbraw/zinc/61/57/96/609615796.db2.gz UIGOVNRPYLRVIB-LLVKDONJSA-N -1 3 358.785 3.031 20 0 FGADHM O=C(OCc1ccc(Cl)cc1-c1nnn[n-]1)c1cncc2ccccc21 ZINC000826465260 609616333 /nfs/dbraw/zinc/61/63/33/609616333.db2.gz FXULLSKLQLXWGA-UHFFFAOYSA-N -1 3 365.780 3.425 20 0 FGADHM O=C(OCc1ccc(Cl)cc1-c1nn[n-]n1)c1cncc2ccccc21 ZINC000826465260 609616334 /nfs/dbraw/zinc/61/63/34/609616334.db2.gz FXULLSKLQLXWGA-UHFFFAOYSA-N -1 3 365.780 3.425 20 0 FGADHM O=C(OCc1ccc(Cl)cc1-c1nnn[n-]1)c1ccc2c(n1)CCCC2 ZINC000826465516 609616696 /nfs/dbraw/zinc/61/66/96/609616696.db2.gz QIWMHKONGGFUCW-UHFFFAOYSA-N -1 3 369.812 3.151 20 0 FGADHM O=C(OCc1ccc(Cl)cc1-c1nn[n-]n1)c1ccc2c(n1)CCCC2 ZINC000826465516 609616697 /nfs/dbraw/zinc/61/66/97/609616697.db2.gz QIWMHKONGGFUCW-UHFFFAOYSA-N -1 3 369.812 3.151 20 0 FGADHM CC[C@H](OC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)cc1 ZINC000825154147 609634681 /nfs/dbraw/zinc/63/46/81/609634681.db2.gz LYTKGXQLSJVHCE-HOTGVXAUSA-N -1 3 372.812 3.248 20 0 FGADHM CC[C@H](OC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)cc1 ZINC000825154147 609634682 /nfs/dbraw/zinc/63/46/82/609634682.db2.gz LYTKGXQLSJVHCE-HOTGVXAUSA-N -1 3 372.812 3.248 20 0 FGADHM CC[C@@H](C)[C@@H](C)C(=O)OCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000825059981 609642148 /nfs/dbraw/zinc/64/21/48/609642148.db2.gz MWMQFIACZJUJTF-NXEZZACHSA-N -1 3 354.357 3.194 20 0 FGADHM CC[C@@H](C)[C@@H](C)C(=O)OCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000825059981 609642149 /nfs/dbraw/zinc/64/21/49/609642149.db2.gz MWMQFIACZJUJTF-NXEZZACHSA-N -1 3 354.357 3.194 20 0 FGADHM CC[C@H](C)[C@@H](C(=O)OCC(=O)[N-]C(=O)c1cccs1)c1ccccc1 ZINC000007089803 695562683 /nfs/dbraw/zinc/56/26/83/695562683.db2.gz BUXYNARUBVEFEC-SUMWQHHRSA-N -1 3 359.447 3.378 20 0 FGADHM O=C(COC(=O)c1cccc(Cl)c1Cl)[N-]C(=O)c1cccs1 ZINC000007123478 695563429 /nfs/dbraw/zinc/56/34/29/695563429.db2.gz VVCRVVKVRCOIGB-UHFFFAOYSA-N -1 3 358.202 3.168 20 0 FGADHM COc1ccc2[nH]c(=NC=C3C(=O)[N-]C(=O)c4ccccc43)sc2c1 ZINC000016718811 695631073 /nfs/dbraw/zinc/63/10/73/695631073.db2.gz RXQPULZXSHRVEF-UKTHLTGXSA-N -1 3 351.387 3.028 20 0 FGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)CCc1ccccc1Cl ZINC000024885269 695671015 /nfs/dbraw/zinc/67/10/15/695671015.db2.gz BTBWGWOWWYTHGF-UHFFFAOYSA-N -1 3 352.843 3.283 20 0 FGADHM O=C1[N-]C(=O)C(=CNCCCSc2ccc(F)cc2)c2ccccc21 ZINC000027181618 695691525 /nfs/dbraw/zinc/69/15/25/695691525.db2.gz SXVUPWAYBULYFP-SFQUDFHCSA-N -1 3 356.422 3.209 20 0 FGADHM O=S(=O)([N-]CCCCOc1ccc(F)cc1)c1ccc(F)cc1F ZINC000028057302 695700119 /nfs/dbraw/zinc/70/01/19/695700119.db2.gz NHHFFWAFHJBITP-UHFFFAOYSA-N -1 3 359.369 3.241 20 0 FGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@@H]2CCC[C@@H](C)C2)ccc1F ZINC000033101931 695749401 /nfs/dbraw/zinc/74/94/01/695749401.db2.gz DSEMYMQCCHLHMT-UKRRQHHQSA-N -1 3 370.490 3.163 20 0 FGADHM Cc1ccc(C(=O)NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c([O-])c1 ZINC000042065727 695771734 /nfs/dbraw/zinc/77/17/34/695771734.db2.gz UIHPTSVSBUVAON-UHFFFAOYSA-N -1 3 355.272 3.385 20 0 FGADHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(CC)CC(CC)CC)ccc1F ZINC000042918830 695786839 /nfs/dbraw/zinc/78/68/39/695786839.db2.gz XWAGEOORGRUVOY-UHFFFAOYSA-N -1 3 370.490 3.188 20 0 FGADHM O=C(N[N-]C(=O)c1ccccc1Br)NC1CCCCCC1 ZINC000042996561 695788246 /nfs/dbraw/zinc/78/82/46/695788246.db2.gz ZOUSPRWDGYLBRV-UHFFFAOYSA-N -1 3 354.248 3.116 20 0 FGADHM CS(=O)(=O)[N-]c1ccc(C(=O)OCc2c(F)cccc2Cl)cc1 ZINC000043901365 695798330 /nfs/dbraw/zinc/79/83/30/695798330.db2.gz FFEUHILLVUXZGP-UHFFFAOYSA-N -1 3 357.790 3.208 20 0 FGADHM O=C([N-]Cc1cccnc1OCC(F)(F)F)C(F)(F)c1ccccc1 ZINC000044498995 695808872 /nfs/dbraw/zinc/80/88/72/695808872.db2.gz AFXTZDXCXDZCFF-UHFFFAOYSA-N -1 3 360.282 3.431 20 0 FGADHM Cc1csc(CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)n1 ZINC000045808153 695826812 /nfs/dbraw/zinc/82/68/12/695826812.db2.gz RRCJJAQQZWPTNW-UHFFFAOYSA-N -1 3 351.280 3.279 20 0 FGADHM O=S(=O)([N-]Cc1cc(-c2ccccc2)no1)c1ccc(F)cc1F ZINC000045812531 695827045 /nfs/dbraw/zinc/82/70/45/695827045.db2.gz YFKZRDXIKPKHAO-UHFFFAOYSA-N -1 3 350.346 3.098 20 0 FGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(Cl)c2)ccc1F ZINC000046114107 695833108 /nfs/dbraw/zinc/83/31/08/695833108.db2.gz VOAQLTKEEACVHU-UHFFFAOYSA-N -1 3 370.833 3.418 20 0 FGADHM O=C([N-]NC(=O)c1sccc1C1CC1)c1ccccc1Br ZINC000046438399 695839983 /nfs/dbraw/zinc/83/99/83/695839983.db2.gz BJCKIVZAMYBYOM-UHFFFAOYSA-N -1 3 365.252 3.463 20 0 FGADHM O=C(NCCc1cc(Cl)cc(Cl)c1)N[N-]C(=O)c1ccccc1F ZINC000069116374 695947174 /nfs/dbraw/zinc/94/71/74/695947174.db2.gz BUUCYUREWIAKAJ-UHFFFAOYSA-N -1 3 370.211 3.319 20 0 FGADHM O=C(OC[C@H]1CCCO1)c1n[n-]c(-c2ccccc2)c1Br ZINC000069581822 695951023 /nfs/dbraw/zinc/95/10/23/695951023.db2.gz XPYLRULWJCNKBG-LLVKDONJSA-N -1 3 351.200 3.175 20 0 FGADHM COc1ccc(OC)c(C(=O)Nc2ccc(Br)cc2[O-])c1 ZINC000075654733 700216084 /nfs/dbraw/zinc/21/60/84/700216084.db2.gz WGHXXUAQBHMVFT-UHFFFAOYSA-N -1 3 352.184 3.424 20 0 FGADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H](C)C(C)(C)c1ccccc1 ZINC000076387815 700231669 /nfs/dbraw/zinc/23/16/69/700231669.db2.gz XQVDGEKOJIYBFR-LBPRGKRZSA-N -1 3 355.891 3.027 20 0 FGADHM O=S(=O)([N-][C@@H]1CCSc2ccc(F)cc21)c1cccnc1Cl ZINC000077510781 700254175 /nfs/dbraw/zinc/25/41/75/700254175.db2.gz VJSVHZRGWPCJBK-LLVKDONJSA-N -1 3 358.847 3.390 20 0 FGADHM O=C(C[C@H](O)c1cccc(F)c1)Nc1ccc(Br)cc1[O-] ZINC000091094226 700411901 /nfs/dbraw/zinc/41/19/01/700411901.db2.gz JQVDSTOPJAGESO-ZDUSSCGKSA-N -1 3 354.175 3.356 20 0 FGADHM CS(=O)(=O)[N-]c1cc(C(=O)OCc2ccccc2Cl)ccc1F ZINC000101707327 700470421 /nfs/dbraw/zinc/47/04/21/700470421.db2.gz VFAQLNNSITZQAU-UHFFFAOYSA-N -1 3 357.790 3.208 20 0 FGADHM Cc1cc2sc(NC(=O)c3nnc4ccccc4c3[O-])nc2c(C)c1 ZINC000109937093 700537696 /nfs/dbraw/zinc/53/76/96/700537696.db2.gz QFJXCJRLBLAOKN-UHFFFAOYSA-N -1 3 350.403 3.402 20 0 FGADHM Cc1nn(C)c(Cl)c1C(=O)[N-]c1nc(-c2ccc(F)cc2)ns1 ZINC000112595729 700561252 /nfs/dbraw/zinc/56/12/52/700561252.db2.gz MRRVWIUYRZDTAS-UHFFFAOYSA-N -1 3 351.794 3.292 20 0 FGADHM Cc1ccc(NC(=O)c2nnc3ccccc3c2[O-])cc1Br ZINC000118310082 700609424 /nfs/dbraw/zinc/60/94/24/700609424.db2.gz NKANUFUBCLRUKP-UHFFFAOYSA-N -1 3 358.195 3.246 20 0 FGADHM O=S(=O)([N-]C[C@H](O)c1ccccc1Cl)c1cccc(Cl)c1F ZINC000120932631 700662724 /nfs/dbraw/zinc/66/27/24/700662724.db2.gz DNUZWJGBSBZYMH-LBPRGKRZSA-N -1 3 364.225 3.144 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000120995814 700663733 /nfs/dbraw/zinc/66/37/33/700663733.db2.gz JHLBFRMAPIMIFI-UHFFFAOYSA-N -1 3 370.352 3.101 20 0 FGADHM Cn1c2ccccc2c(Cl)c1C([O-])=C(C#N)C(=O)Nc1ccccn1 ZINC000125262292 700733535 /nfs/dbraw/zinc/73/35/35/700733535.db2.gz USPJQFMVZCKQJQ-GFCCVEGCSA-N -1 3 352.781 3.188 20 0 FGADHM Cc1cc(C(=O)N[N-]C(=O)c2ccc(F)cc2Br)c(C)s1 ZINC000130131367 700796560 /nfs/dbraw/zinc/79/65/60/700796560.db2.gz SWTBXOCPFZFNJG-UHFFFAOYSA-N -1 3 371.231 3.341 20 0 FGADHM CCc1cnc(C[N-]S(=O)(=O)c2cc(C(C)=O)ccc2Cl)s1 ZINC000132190576 700824857 /nfs/dbraw/zinc/82/48/57/700824857.db2.gz AGOZEDMCJYIQSF-UHFFFAOYSA-N -1 3 358.872 3.040 20 0 FGADHM COC(=O)C[C@@H]([N-]S(=O)(=O)c1cc2ccccc2o1)c1cccs1 ZINC000133936717 704808523 /nfs/dbraw/zinc/80/85/23/704808523.db2.gz BIDPPQJASFQQSZ-GFCCVEGCSA-N -1 3 365.432 3.077 20 0 FGADHM O=C(CCc1ccco1)N[N-]C(=O)c1ccc(Cl)cc1Br ZINC000151588725 704929530 /nfs/dbraw/zinc/92/95/30/704929530.db2.gz FLMFACPJYBHMCO-UHFFFAOYSA-N -1 3 371.618 3.089 20 0 FGADHM O=C(c1ccc(F)c(F)c1)N1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000154657249 705044044 /nfs/dbraw/zinc/04/40/44/705044044.db2.gz URTJJCRGLKEUSI-UHFFFAOYSA-N -1 3 366.795 3.282 20 0 FGADHM O=C([N-]C[C@@](O)(c1ccccc1)C(F)(F)F)C(F)(F)c1ccccc1 ZINC000170896817 705365007 /nfs/dbraw/zinc/36/50/07/705365007.db2.gz JFPWLYQLAFUCTO-OAHLLOKOSA-N -1 3 359.294 3.345 20 0 FGADHM O=C([N-]CC1(c2cccc(Cl)c2)CCOCC1)C(F)(F)C(F)F ZINC000176140794 705573645 /nfs/dbraw/zinc/57/36/45/705573645.db2.gz ZHULZHVPSIHFHT-UHFFFAOYSA-N -1 3 353.743 3.405 20 0 FGADHM CC/C=C(\C)C(=O)N1CSC[C@H]1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000179192454 705691981 /nfs/dbraw/zinc/69/19/81/705691981.db2.gz FYPGNLFUSSHXEG-CFDVYZKQSA-N -1 3 354.859 3.242 20 0 FGADHM O=C(Nc1ccc(Cl)cc1[O-])[C@@H]1CCCC[C@H]1C(=O)N1CCCC1 ZINC000179639240 705708370 /nfs/dbraw/zinc/70/83/70/705708370.db2.gz JGUJSBCPJWGWJT-ZIAGYGMSSA-N -1 3 350.846 3.413 20 0 FGADHM COc1cccc2[nH]cc(CC[N-]S(=O)(=O)c3ccc(Cl)s3)c21 ZINC000179998893 705724140 /nfs/dbraw/zinc/72/41/40/705724140.db2.gz AYIDZXJLHZLVHP-UHFFFAOYSA-N -1 3 370.883 3.412 20 0 FGADHM Cc1ccc(C(=O)Nc2ccc(Cl)c(C(=O)NC3CC3)c2)c([O-])c1O ZINC000182136054 705827342 /nfs/dbraw/zinc/82/73/42/705827342.db2.gz UKSODIVRLZTROB-UHFFFAOYSA-N -1 3 360.797 3.204 20 0 FGADHM C/C(=C\C(C)(C)C)C(=O)N[N-]C(=O)c1ccc(F)cc1Br ZINC000185959734 712705722 /nfs/dbraw/zinc/70/57/22/712705722.db2.gz OVPPMWFTLIHOEH-CMDGGOBGSA-N -1 3 357.223 3.342 20 0 FGADHM CC[C@H]1[C@@H](C)CCN1C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000187473236 712743611 /nfs/dbraw/zinc/74/36/11/712743611.db2.gz UUEOGMXJVXIGGF-WFASDCNBSA-N -1 3 370.490 3.163 20 0 FGADHM Cc1ncsc1/C=C/C(=O)NCc1ccc([O-])c(Br)c1 ZINC000189007285 712783534 /nfs/dbraw/zinc/78/35/34/712783534.db2.gz HVTJMSWXOREAAQ-SNAWJCMRSA-N -1 3 353.241 3.249 20 0 FGADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000189076659 712785679 /nfs/dbraw/zinc/78/56/79/712785679.db2.gz ZDJUJMHAMDQANK-CABCVRRESA-N -1 3 367.902 3.072 20 0 FGADHM COc1ccccc1[C@@H]([N-]S(=O)(=O)C[C@]1(C)CC1(F)F)c1ccco1 ZINC000641386531 717895718 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FGADHM Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1ccc(OC(F)(F)F)cc1Cl ZINC000663272189 720496734 /nfs/dbraw/zinc/49/67/34/720496734.db2.gz SYPBIWAIDAIOQM-UHFFFAOYSA-N -1 3 369.752 3.379 20 0 FGADHM CC(=O)c1ccc(C(=O)N2C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C2)cc1[O-] ZINC000665338089 720756166 /nfs/dbraw/zinc/75/61/66/720756166.db2.gz KAZFKFMFNJBMSC-PHIMTYICSA-N -1 3 369.261 3.408 20 0 FGADHM COc1cc(S(=O)(=O)[N-]c2cccc3c2CCN(C)C3)ccc1Cl ZINC000666300071 720913486 /nfs/dbraw/zinc/91/34/86/720913486.db2.gz XUFBUBDTYONDOZ-UHFFFAOYSA-N -1 3 366.870 3.137 20 0 FGADHM CN(C)c1n[nH]c([N-]C(=O)c2sc(-c3ccccc3)nc2C(F)F)n1 ZINC000672117703 721621499 /nfs/dbraw/zinc/62/14/99/721621499.db2.gz KSXYHLGJNHTVQY-UHFFFAOYSA-N -1 3 364.381 3.184 20 0 FGADHM C[C@@H](c1ccccc1)[C@H](CO)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000676859875 721837783 /nfs/dbraw/zinc/83/77/83/721837783.db2.gz XWWXZMPYRHDKJA-NHYWBVRUSA-N -1 3 374.289 3.436 20 0 FGADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000677148131 721864449 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C[C@@]1([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)CCO[C@H]1C1CC1 ZINC000680108755 722071736 /nfs/dbraw/zinc/07/17/36/722071736.db2.gz GVNWGHDTNPZAMD-UONOGXRCSA-N -1 3 350.267 3.229 20 0 FGADHM O=S(=O)([N-]c1ccccc1F)c1c[nH]c(-c2nc(C3CCC3)no2)c1 ZINC000680692913 722147209 /nfs/dbraw/zinc/14/72/09/722147209.db2.gz WLTRLUDJDHWCIJ-UHFFFAOYSA-N -1 3 362.386 3.272 20 0 FGADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1Cc2cccc(Br)c2C1 ZINC000681204585 722192094 /nfs/dbraw/zinc/19/20/94/722192094.db2.gz CLCKPIXVMXCDEM-UHFFFAOYSA-N -1 3 369.218 3.447 20 0 FGADHM CN1CCc2c(cccc2[N-]S(=O)(=O)c2ccc3ncsc3c2)C1 ZINC000681363471 722201152 /nfs/dbraw/zinc/20/11/52/722201152.db2.gz KPKMEEBAOCPAGG-UHFFFAOYSA-N -1 3 359.476 3.085 20 0 FGADHM CN(C)[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000682257133 722242117 /nfs/dbraw/zinc/24/21/17/722242117.db2.gz XHXBWOQMRSBXAH-VXGBXAGGSA-N -1 3 371.717 3.408 20 0 FGADHM O=S(=O)([N-][C@@H]1[C@@H]2CCc3ccccc3[C@@H]21)c1cnccc1C(F)(F)F ZINC000682370281 722243734 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O=C(Nc1cc(Br)ccc1[O-])c1cccc2c1CC(=O)CC2 ZINC000685773665 722401840 /nfs/dbraw/zinc/40/18/40/722401840.db2.gz XSGGSDJRLTZZEU-UHFFFAOYSA-N -1 3 360.207 3.465 20 0 FGADHM O=c1ccc([N-]S(=O)(=O)c2cccc(Br)c2Cl)c[nH]1 ZINC000685903853 722407664 /nfs/dbraw/zinc/40/76/64/722407664.db2.gz AKUVPZWCRRCKOP-UHFFFAOYSA-N -1 3 363.620 3.004 20 0 FGADHM CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OCC)cc2)ccc1F ZINC000728501669 722452092 /nfs/dbraw/zinc/45/20/92/722452092.db2.gz QZCGMYCKLLNCTE-UHFFFAOYSA-N -1 3 367.398 3.202 20 0 FGADHM CCCCCNC(=O)[C@H](C)OC(=O)c1cccc(Br)c1[O-] ZINC000730365575 722467955 /nfs/dbraw/zinc/46/79/55/722467955.db2.gz UXGXIUXPWHFMKI-JTQLQIEISA-N -1 3 358.232 3.006 20 0 FGADHM CC[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1cc(Br)cc(F)c1OC ZINC000730811583 722471030 /nfs/dbraw/zinc/47/10/30/722471030.db2.gz NNUUOYVQZRZUHA-RKDXNWHRSA-N -1 3 368.268 3.310 20 0 FGADHM Cc1ccc(-n2nnnc2Sc2nc3ccccc3c(=O)[n-]2)cc1C ZINC000731917799 722479370 /nfs/dbraw/zinc/47/93/70/722479370.db2.gz 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C[C@@H](NCC1(NC(=O)[O-])CCCCC1)C(=O)Nc1ccccc1Cl ZINC000739030439 722532245 /nfs/dbraw/zinc/53/22/45/722532245.db2.gz ALCPNGNMEKFYSB-GFCCVEGCSA-N -1 3 353.850 3.227 20 0 FGADHM S=c1nc(-c2ccccn2)[n-]n1CN(C[C@@H]1CCCO1)C1CCCC1 ZINC000742165870 722552799 /nfs/dbraw/zinc/55/27/99/722552799.db2.gz LLFRYELBQMDNGS-HNNXBMFYSA-N -1 3 359.499 3.384 20 0 FGADHM CS[C@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)C1 ZINC000742330064 722555585 /nfs/dbraw/zinc/55/55/85/722555585.db2.gz TWWMRDIUWFHFMM-ZJUUUORDSA-N -1 3 357.394 3.407 20 0 FGADHM CCN1CCCC[C@@H]1C(=O)O[C@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000745085342 722583194 /nfs/dbraw/zinc/58/31/94/722583194.db2.gz ZVFGHKXINRFJFS-DGCLKSJQSA-N -1 3 363.483 3.492 20 0 FGADHM O=C(NCCc1c[nH]c2cc(Cl)ccc12)c1cc2c(cc1[O-])OCO2 ZINC000745189417 722584742 /nfs/dbraw/zinc/58/47/42/722584742.db2.gz NSBCUPSVCWIZEE-UHFFFAOYSA-N -1 3 358.781 3.228 20 0 FGADHM COC(=O)Nc1ccc(C(=O)OCC(=O)c2cc(C)sc2C)cc1[O-] ZINC000745650886 722589083 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CC[C@@H](C)CN(CC)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000748566473 722696280 /nfs/dbraw/zinc/69/62/80/722696280.db2.gz GETIPFOOBMJCAJ-CYBMUJFWSA-N -1 3 358.479 3.021 20 0 FGADHM COCCO[N-]C(=O)Cc1c(C)nn(-c2ccc(Cl)c(Cl)c2)c1C ZINC000748775975 722703887 /nfs/dbraw/zinc/70/38/87/722703887.db2.gz AZLVYODQVOFRSN-UHFFFAOYSA-N -1 3 372.252 3.033 20 0 FGADHM COC[C@H]([N-]S(=O)(=O)c1ccc(C(=O)C(C)(C)C)cc1)c1ccco1 ZINC000749183405 722719189 /nfs/dbraw/zinc/71/91/89/722719189.db2.gz KVQPMQBBRYKNCU-HNNXBMFYSA-N -1 3 365.451 3.174 20 0 FGADHM CCOc1cc2c(cc1[C@@H]1C[C@H]1[N-]C(=O)C(F)(F)C(F)F)O[C@H](C)C2 ZINC000749382429 722726916 /nfs/dbraw/zinc/72/69/16/722726916.db2.gz PXBUXLGNCUBYBY-UBHAPETDSA-N -1 3 361.335 3.281 20 0 FGADHM C[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)O[C@@H]2C=CCCC2)c1Cl ZINC000751686224 722820334 /nfs/dbraw/zinc/82/03/34/722820334.db2.gz HTJXLMIJZKDRHM-SECBINFHSA-N -1 3 364.250 3.167 20 0 FGADHM CC(C)N(CC(F)(F)F)C(=O)COC(=O)c1cc(F)cc(Cl)c1[O-] ZINC000751731626 722823947 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FGADHM CC(C)OCCO[N-]C(=O)C1(Cc2ccccc2Br)CC1 ZINC000816782230 727194761 /nfs/dbraw/zinc/19/47/61/727194761.db2.gz OGBFVULLDNJMAL-UHFFFAOYSA-N -1 3 356.260 3.245 20 0 FGADHM C[C@@H]([N-]C(=O)C(F)(F)Cc1ccccc1)c1ncc(Br)cn1 ZINC000817271390 727234541 /nfs/dbraw/zinc/23/45/41/727234541.db2.gz AWULZHFYOWJNLO-SNVBAGLBSA-N -1 3 370.197 3.294 20 0 FGADHM CCC(C)(C)NC(=S)N1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F ZINC000817567728 727265942 /nfs/dbraw/zinc/26/59/42/727265942.db2.gz MLZHODRFPWLJFX-GFCCVEGCSA-N -1 3 373.444 3.159 20 0 FGADHM Nc1ccc(C(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)c([O-])c1 ZINC000817916499 727287851 /nfs/dbraw/zinc/28/78/51/727287851.db2.gz GCDKPLXOSOCCSU-UHFFFAOYSA-N -1 3 358.825 3.363 20 0 FGADHM COc1cccc(S([O-])=CC(=O)OCCOc2cc(C)cc(C)c2)c1 ZINC000821359075 729080160 /nfs/dbraw/zinc/08/01/60/729080160.db2.gz LXEZRZHUXONGQF-RUZDIDTESA-N -1 3 362.447 3.042 20 0 FGADHM COc1ccc(Cl)cc1C(F)(F)C(=O)[N-][C@H]1C[C@H](C)n2ccnc21 ZINC000821785240 729116384 /nfs/dbraw/zinc/11/63/84/729116384.db2.gz BEVJHTNGICKSDE-CABZTGNLSA-N -1 3 355.772 3.459 20 0 FGADHM Brc1ccc(N2CCc3ccsc3C2)c(-c2nnn[n-]2)c1 ZINC000823832689 729307895 /nfs/dbraw/zinc/30/78/95/729307895.db2.gz SUEJXYKQZLRFPU-UHFFFAOYSA-N -1 3 362.256 3.253 20 0 FGADHM Brc1ccc(N2CCc3ccsc3C2)c(-c2nn[n-]n2)c1 ZINC000823832689 729307896 /nfs/dbraw/zinc/30/78/96/729307896.db2.gz SUEJXYKQZLRFPU-UHFFFAOYSA-N -1 3 362.256 3.253 20 0 FGADHM CC(C)[C@H]1C[C@H](Nc2ccc(Br)cc2-c2nnn[n-]2)CCO1 ZINC000824217035 729324847 /nfs/dbraw/zinc/32/48/47/729324847.db2.gz XKTTTXBPZBIOHC-BXUZGUMPSA-N -1 3 366.263 3.245 20 0 FGADHM CC(C)[C@H]1C[C@H](Nc2ccc(Br)cc2-c2nn[n-]n2)CCO1 ZINC000824217035 729324849 /nfs/dbraw/zinc/32/48/49/729324849.db2.gz XKTTTXBPZBIOHC-BXUZGUMPSA-N -1 3 366.263 3.245 20 0 FGADHM C[C@H](c1ccccc1)[C@H](C)NC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000824522911 729345445 /nfs/dbraw/zinc/34/54/45/729345445.db2.gz WULHCVBJFGKKKR-RYUDHWBXSA-N -1 3 355.829 3.442 20 0 FGADHM C[C@H](c1ccccc1)[C@H](C)NC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000824522911 729345446 /nfs/dbraw/zinc/34/54/46/729345446.db2.gz WULHCVBJFGKKKR-RYUDHWBXSA-N -1 3 355.829 3.442 20 0 FGADHM C[C@@H](OC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1ccc(Cl)c(Cl)c1 ZINC000824724187 729356618 /nfs/dbraw/zinc/35/66/18/729356618.db2.gz ZGCVRTZKPNNDQC-SSDOTTSWSA-N -1 3 352.181 3.420 20 0 FGADHM C[C@@H](OC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccc(Cl)c(Cl)c1 ZINC000824724187 729356621 /nfs/dbraw/zinc/35/66/21/729356621.db2.gz ZGCVRTZKPNNDQC-SSDOTTSWSA-N -1 3 352.181 3.420 20 0 FGADHM CSc1nc(NC(=O)Cc2sc(SCC(C)C)nc2C)n[n-]1 ZINC000824781904 729358775 /nfs/dbraw/zinc/35/87/75/729358775.db2.gz CBJBOZYMVHXDAU-UHFFFAOYSA-N -1 3 357.530 3.221 20 0 FGADHM C[C@@H]1CC[C@H](C(=O)Nc2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)C1 ZINC000824906159 729364426 /nfs/dbraw/zinc/36/44/26/729364426.db2.gz ANUXFTJDGNWNIT-MFKMUULPSA-N -1 3 354.439 3.365 20 0 FGADHM C[C@@H]1CC[C@H](C(=O)Nc2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)C1 ZINC000824906159 729364428 /nfs/dbraw/zinc/36/44/28/729364428.db2.gz ANUXFTJDGNWNIT-MFKMUULPSA-N -1 3 354.439 3.365 20 0 FGADHM C[C@H]1CCc2c(sc(NC(=O)[C@H]3CCCCS3)c2-c2nnn[n-]2)C1 ZINC000824970862 729366430 /nfs/dbraw/zinc/36/64/30/729366430.db2.gz YHQSRCRKEOZTGA-GXSJLCMTSA-N -1 3 363.512 3.277 20 0 FGADHM C[C@H]1CCc2c(sc(NC(=O)[C@H]3CCCCS3)c2-c2nn[n-]n2)C1 ZINC000824970862 729366432 /nfs/dbraw/zinc/36/64/32/729366432.db2.gz YHQSRCRKEOZTGA-GXSJLCMTSA-N -1 3 363.512 3.277 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)[C@@H]1CCC[C@H]1C ZINC000825604695 729389177 /nfs/dbraw/zinc/38/91/77/729389177.db2.gz JXHDVKIYCGYPNK-MWLCHTKSSA-N -1 3 350.806 3.260 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)[C@@H]1CCC[C@H]1C ZINC000825604695 729389179 /nfs/dbraw/zinc/38/91/79/729389179.db2.gz JXHDVKIYCGYPNK-MWLCHTKSSA-N -1 3 350.806 3.260 20 0 FGADHM CCCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)NCc1ccc([O-])c(F)c1 ZINC000825980561 729401463 /nfs/dbraw/zinc/40/14/63/729401463.db2.gz DRZGMZLTDDVDTE-LBPRGKRZSA-N -1 3 354.422 3.183 20 0 FGADHM C[S@@](=O)Cc1cc(NCc2ccc(-c3nnn[n-]3)cc2)ccc1Cl ZINC000826224440 729406359 /nfs/dbraw/zinc/40/63/59/729406359.db2.gz DJTJCMXMBZDMCA-XMMPIXPASA-N -1 3 361.858 3.011 20 0 FGADHM C[S@@](=O)Cc1cc(NCc2ccc(-c3nn[n-]n3)cc2)ccc1Cl ZINC000826224440 729406361 /nfs/dbraw/zinc/40/63/61/729406361.db2.gz DJTJCMXMBZDMCA-XMMPIXPASA-N -1 3 361.858 3.011 20 0 FGADHM Cc1c(Cl)cnc(NC[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)c1-c1nnn[n-]1 ZINC000826239403 729406574 /nfs/dbraw/zinc/40/65/74/729406574.db2.gz GNEIOIITOFFSJW-ZENOOKHLSA-N -1 3 352.829 3.221 20 0 FGADHM Cc1c(Cl)cnc(NC[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)c1-c1nn[n-]n1 ZINC000826239403 729406576 /nfs/dbraw/zinc/40/65/76/729406576.db2.gz GNEIOIITOFFSJW-ZENOOKHLSA-N -1 3 352.829 3.221 20 0 FGADHM Cc1cccc(F)c1NC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000826298508 729407240 /nfs/dbraw/zinc/40/72/40/729407240.db2.gz WHSONITWYOKMMH-UHFFFAOYSA-N -1 3 357.414 3.186 20 0 FGADHM Cc1cccc(F)c1NC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000826298508 729407241 /nfs/dbraw/zinc/40/72/41/729407241.db2.gz WHSONITWYOKMMH-UHFFFAOYSA-N -1 3 357.414 3.186 20 0 FGADHM O=C(CSCCCc1ccsc1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000826419770 729407854 /nfs/dbraw/zinc/40/78/54/729407854.db2.gz LINFXJQCGOUYLZ-UHFFFAOYSA-N -1 3 359.480 3.233 20 0 FGADHM O=C(CSCCCc1ccsc1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000826419770 729407855 /nfs/dbraw/zinc/40/78/55/729407855.db2.gz LINFXJQCGOUYLZ-UHFFFAOYSA-N -1 3 359.480 3.233 20 0 FGADHM O=C(Nc1nnc(C2CCCCC2)s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826460582 729408052 /nfs/dbraw/zinc/40/80/52/729408052.db2.gz JDMJSHVQYBDFTE-UHFFFAOYSA-N -1 3 355.427 3.018 20 0 FGADHM O=C(Nc1nnc(C2CCCCC2)s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826460582 729408053 /nfs/dbraw/zinc/40/80/53/729408053.db2.gz JDMJSHVQYBDFTE-UHFFFAOYSA-N -1 3 355.427 3.018 20 0 FGADHM O=C(Nc1ccc(F)cc1-n1cccc1)c1sccc1-c1nnn[n-]1 ZINC000826454851 729408211 /nfs/dbraw/zinc/40/82/11/729408211.db2.gz NQLLALLMRFDBJG-UHFFFAOYSA-N -1 3 354.370 3.110 20 0 FGADHM O=C(Nc1ccc(F)cc1-n1cccc1)c1sccc1-c1nn[n-]n1 ZINC000826454851 729408212 /nfs/dbraw/zinc/40/82/12/729408212.db2.gz NQLLALLMRFDBJG-UHFFFAOYSA-N -1 3 354.370 3.110 20 0 FGADHM O=C(OCc1ccc(Cl)cc1-c1nnn[n-]1)c1cccnc1C1CC1 ZINC000826465657 729408305 /nfs/dbraw/zinc/40/83/05/729408305.db2.gz WJQHCMMLPVALHM-UHFFFAOYSA-N -1 3 355.785 3.150 20 0 FGADHM O=C(OCc1ccc(Cl)cc1-c1nn[n-]n1)c1cccnc1C1CC1 ZINC000826465657 729408306 /nfs/dbraw/zinc/40/83/06/729408306.db2.gz WJQHCMMLPVALHM-UHFFFAOYSA-N -1 3 355.785 3.150 20 0 FGADHM CC(C)(C)Cc1ncc(C(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)s1 ZINC000828209019 729441121 /nfs/dbraw/zinc/44/11/21/729441121.db2.gz FMNBNYDPCYBHTL-UHFFFAOYSA-N -1 3 360.483 3.425 20 0 FGADHM Cc1cc(NC(=O)CCCc2ccc([O-])c(F)c2)cc(S(C)(=O)=O)c1 ZINC000829650737 729499042 /nfs/dbraw/zinc/49/90/42/729499042.db2.gz FFLNYEWMJRIKOW-UHFFFAOYSA-N -1 3 365.426 3.205 20 0 FGADHM COc1ccc2c(c1)CCC(S(=O)(=O)[N-]c1cnc(C3CC3)nc1)=C2 ZINC000829793136 729512480 /nfs/dbraw/zinc/51/24/80/729512480.db2.gz NLAQDLWGOWVQNI-UHFFFAOYSA-N -1 3 357.435 3.092 20 0 FGADHM CC[C@@H]1CCCC[C@H]1C[N-]S(=O)(=O)c1ccc(Cl)nc1C(=O)OC ZINC000831835626 729671202 /nfs/dbraw/zinc/67/12/02/729671202.db2.gz VIBVVUWAKLOUES-NEPJUHHUSA-N -1 3 374.890 3.016 20 0 FGADHM C[C@@H](CC(=O)[N-]OCc1ccc(F)cc1Br)[C@@H]1CCCO1 ZINC000832678841 729727050 /nfs/dbraw/zinc/72/70/50/729727050.db2.gz WPEDIHWERIFRTR-HZMBPMFUSA-N -1 3 360.223 3.341 20 0 FGADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1ccc(-c2ccco2)cc1F ZINC000836573356 729960767 /nfs/dbraw/zinc/96/07/67/729960767.db2.gz PNBKMOSVSRDGKU-UHFFFAOYSA-N -1 3 350.346 3.481 20 0 FGADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1ccc(-c2ccco2)cc1F ZINC000836573356 729960768 /nfs/dbraw/zinc/96/07/68/729960768.db2.gz PNBKMOSVSRDGKU-UHFFFAOYSA-N -1 3 350.346 3.481 20 0 FGADHM CC[C@@H](NC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)C1CCCC1 ZINC000836646007 729963773 /nfs/dbraw/zinc/96/37/73/729963773.db2.gz ZVPPASJUXVQVEX-CQSZACIVSA-N -1 3 363.424 3.055 20 0 FGADHM O=C(O[C@@H]1C[C@H]2CCCC[C@@H]2NC1=O)c1cc2cc(Cl)sc2[n-]1 ZINC000837736356 730058709 /nfs/dbraw/zinc/05/87/09/730058709.db2.gz HUWCYKRMHBDAEC-UBHAPETDSA-N -1 3 352.843 3.487 20 0 FGADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3cc4n(n3)CCC4)nc(=O)c2c1C ZINC000837897046 730073416 /nfs/dbraw/zinc/07/34/16/730073416.db2.gz FNSCXOCTJSCODF-SECBINFHSA-N -1 3 358.423 3.074 20 0 FGADHM CC(C)(C)OC(=O)N1CCC[C@@H]1COC(=O)Cc1ccc([O-])c(F)c1 ZINC000838143824 730093394 /nfs/dbraw/zinc/09/33/94/730093394.db2.gz ZIGBDGXRJLPHEB-CYBMUJFWSA-N -1 3 353.390 3.017 20 0 FGADHM COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccnc1F ZINC000842825616 730547652 /nfs/dbraw/zinc/54/76/52/730547652.db2.gz YJKWDFKNQKBFBW-UHFFFAOYSA-N -1 3 374.821 3.090 20 0 FGADHM C[C@@H](CSCCNCc1c(Cl)n(C)nc1-c1ccccc1)C(=O)[O-] ZINC000843305493 730606409 /nfs/dbraw/zinc/60/64/09/730606409.db2.gz BLZRIRUTACYIHT-LBPRGKRZSA-N -1 3 367.902 3.284 20 0 FGADHM COCC[C@H](COC)[N-]C(=O)C(F)(F)c1cccc(Cl)c1Cl ZINC000843597302 730634910 /nfs/dbraw/zinc/63/49/10/730634910.db2.gz FYCIFPOYZAKGJX-SECBINFHSA-N -1 3 356.196 3.253 20 0 FGADHM Cc1ccc([C@H](O)C[N-]S(=O)(=O)Cc2cc(Cl)sc2Cl)o1 ZINC000845874078 730904987 /nfs/dbraw/zinc/90/49/87/730904987.db2.gz APYZJAIEUQLKLI-SECBINFHSA-N -1 3 370.279 3.109 20 0 FGADHM CCO[N-]C(=O)CNCc1ccc(Br)cc1SC(C)C ZINC000846088298 730927900 /nfs/dbraw/zinc/92/79/00/730927900.db2.gz WLLYRDPHDNWBKZ-UHFFFAOYSA-N -1 3 361.305 3.107 20 0 FGADHM CO[C@H](C[N-]C(=O)C(F)(F)c1ccccc1OC(C)C)C(F)(F)F ZINC000846875311 730989652 /nfs/dbraw/zinc/98/96/52/730989652.db2.gz RVMIKJKOEYHLBF-GFCCVEGCSA-N -1 3 355.303 3.259 20 0 FGADHM COc1cc(Br)ccc1OC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000848085245 731127469 /nfs/dbraw/zinc/12/74/69/731127469.db2.gz SDNTYRRMCBBMGA-UHFFFAOYSA-N -1 3 365.183 3.050 20 0 FGADHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-][C@H]1C=CCC1 ZINC000849430281 731258741 /nfs/dbraw/zinc/25/87/41/731258741.db2.gz LBQLSTPRCWHDNZ-VIFPVBQESA-N -1 3 366.664 3.108 20 0 FGADHM CC(C)(C)O[C@H]1C[C@H]([N-]S(=O)(=O)c2cccnc2Cl)C12CCC2 ZINC000849470747 731263406 /nfs/dbraw/zinc/26/34/06/731263406.db2.gz HYEAMKHZNFVYJM-STQMWFEESA-N -1 3 358.891 3.140 20 0 FGADHM Cc1cc(=O)[n-]c(C(C)(C)NCc2cccc(SC(=O)N(C)C)c2)n1 ZINC000852147205 731548178 /nfs/dbraw/zinc/54/81/78/731548178.db2.gz NVBPFJCGIKMLNC-UHFFFAOYSA-N -1 3 360.483 3.289 20 0 FGADHM C[C@H](CO[N-]C(=O)c1c(F)ccc(F)c1Cl)NC(=O)OC(C)(C)C ZINC000857167012 732108832 /nfs/dbraw/zinc/10/88/32/732108832.db2.gz IYSXCOMCUZUJIG-MRVPVSSYSA-N -1 3 364.776 3.193 20 0 FGADHM COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-]CC[C@@H]1CCCC1(C)C ZINC000859249298 732296540 /nfs/dbraw/zinc/29/65/40/732296540.db2.gz XQZCTEVZTOFYNO-NSHDSACASA-N -1 3 374.890 3.016 20 0 FGADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3nn(C)cc3Cl)nc(=O)c2c1C ZINC000860012815 732433959 /nfs/dbraw/zinc/43/39/59/732433959.db2.gz NXNMJKQFNSOFBR-SSDOTTSWSA-N -1 3 366.830 3.319 20 0 FGADHM O=C(CCCOC(=O)c1cc([O-])cc(Br)c1)N1CCCCC1 ZINC000860201256 732467883 /nfs/dbraw/zinc/46/78/83/732467883.db2.gz DRYNKLHJEJEBNQ-UHFFFAOYSA-N -1 3 370.243 3.104 20 0 FGADHM O=C1[N-][C@@](c2ccccc2)(C(F)(F)F)C(=O)N1CCC(F)=C(F)F ZINC000863299071 732940721 /nfs/dbraw/zinc/94/07/21/732940721.db2.gz CTQGARDCIJYQGZ-CYBMUJFWSA-N -1 3 352.234 3.464 20 0 FGADHM COc1cnc(F)c([N-]S(=O)(=O)c2ccc(OCCC(C)C)cc2)c1 ZINC000863449786 732964908 /nfs/dbraw/zinc/96/49/08/732964908.db2.gz ZHZNJQPKRBZIJR-UHFFFAOYSA-N -1 3 368.430 3.455 20 0 FGADHM CC(C)CN(c1ccccc1)S(=O)(=O)c1nc[n-]c1Br ZINC000866661267 733381916 /nfs/dbraw/zinc/38/19/16/733381916.db2.gz MSIZRRZTODOQIS-UHFFFAOYSA-N -1 3 358.261 3.024 20 0 FGADHM O=C(Cc1cnn2c1CCCC2)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000866863645 733402121 /nfs/dbraw/zinc/40/21/21/733402121.db2.gz RLEDIAOCTJDHHK-UHFFFAOYSA-N -1 3 353.344 3.029 20 0 FGADHM Cc1nc(C)c(CC(=O)OCc2ccc(CC(F)(F)F)cc2)c(=O)[n-]1 ZINC000870805475 733889733 /nfs/dbraw/zinc/88/97/33/733889733.db2.gz BFESENSVONOQEI-UHFFFAOYSA-N -1 3 354.328 3.190 20 0 FGADHM CC[C@@H]1C[C@H]1C(=O)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000871315552 733932132 /nfs/dbraw/zinc/93/21/32/733932132.db2.gz GNGXIXHFHFDOGI-MBNYWOFBSA-N -1 3 354.372 3.232 20 0 FGADHM O=C([O-])CC[C@@H]1CCCN(Cc2c(Cl)cccc2N2CCOCC2)C1 ZINC000871621498 733952769 /nfs/dbraw/zinc/95/27/69/733952769.db2.gz FEVWDBKTFOBVDE-HNNXBMFYSA-N -1 3 366.889 3.253 20 0 FGADHM C[C@@H]1CC[C@H](C(=O)[O-])C[C@@H]1NCc1cn(-c2ccc(F)cc2Cl)nn1 ZINC000871880616 735560040 /nfs/dbraw/zinc/56/00/40/735560040.db2.gz VNEOOQQWNPVGIV-ZETOZRRWSA-N -1 3 366.824 3.039 20 0 FGADHM COC[C@@](C)([N-]S(=O)(=O)c1ccc(F)c(C(F)F)c1)C(F)(F)F ZINC000872003279 735571977 /nfs/dbraw/zinc/57/19/77/735571977.db2.gz KBWVMIXZUCCTGS-LLVKDONJSA-N -1 3 365.295 3.009 20 0 FGADHM CN(C)Cc1ccc([N-]S(=O)(=O)c2onc(C3CC3)c2Cl)c(F)c1 ZINC000872375602 735621729 /nfs/dbraw/zinc/62/17/29/735621729.db2.gz LQSDRBXBYUDEGD-UHFFFAOYSA-N -1 3 373.837 3.207 20 0 FGADHM CC[C@H](CS(=O)(=O)[N-]c1cccc(NC(=O)OC(C)(C)C)c1)OC ZINC000872409344 735624460 /nfs/dbraw/zinc/62/44/60/735624460.db2.gz XIFPRXQOPPKZNK-CQSZACIVSA-N -1 3 358.460 3.200 20 0 FGADHM Cn1nc(C(=O)[O-])cc1CN1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000874041398 735831349 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494671796 /nfs/dbraw/zinc/67/17/96/494671796.db2.gz HMWQRSUBVZSPQN-UHFFFAOYSA-N -1 3 371.915 3.265 20 0 FGADHM Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000024897277 494678023 /nfs/dbraw/zinc/67/80/23/494678023.db2.gz ORKGLAGIOSXKFK-UHFFFAOYSA-N -1 3 373.356 3.033 20 0 FGADHM CS(=O)(=O)[N-]c1ccc(C(=O)N2CCC[C@@H]2C2CCCCC2)cc1 ZINC000080375782 494689181 /nfs/dbraw/zinc/68/91/81/494689181.db2.gz ZPFPGNAPEWMZNZ-QGZVFWFLSA-N -1 3 350.484 3.243 20 0 FGADHM C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000080376014 494689708 /nfs/dbraw/zinc/68/97/08/494689708.db2.gz XIPIGGRVSWVYKR-DYZYQPBXSA-N -1 3 367.380 3.154 20 0 FGADHM O=C(Nc1cccc(N2CCCNC2=O)c1)c1cc2c(cc1[O-])CCCC2 ZINC000075181178 494702263 /nfs/dbraw/zinc/70/22/63/494702263.db2.gz YJNIWKPSGCOHDR-UHFFFAOYSA-N -1 3 365.433 3.443 20 0 FGADHM COCCCCC[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000067950018 494705925 /nfs/dbraw/zinc/70/59/25/494705925.db2.gz BAZBVERYRUOMDP-UHFFFAOYSA-N -1 3 370.696 3.198 20 0 FGADHM Cc1cc([N-]C(=O)[C@@H](C)N2CCC(OCc3ccc(F)cc3)CC2)on1 ZINC000091887304 494712019 /nfs/dbraw/zinc/71/20/19/494712019.db2.gz RUQPGZOAJIQIQJ-CQSZACIVSA-N -1 3 361.417 3.130 20 0 FGADHM COc1ccc([O-])c(C(=O)N2CCC([C@@H](O)c3ccc(F)cc3)CC2)c1 ZINC000108458829 494712292 /nfs/dbraw/zinc/71/22/92/494712292.db2.gz FOGFSRHTNIQARG-IBGZPJMESA-N -1 3 359.397 3.126 20 0 FGADHM O=C(c1ccccc1[O-])N1CCN(Cc2cccc(-c3cccnc3)c2)CC1 ZINC000091923689 494723637 /nfs/dbraw/zinc/72/36/37/494723637.db2.gz RPEGPHMWYOZBEV-UHFFFAOYSA-N -1 3 373.456 3.412 20 0 FGADHM CCN(c1ccc(NC(=O)c2c(C)[n-]c(=O)nc2SC)cc1)C(C)C ZINC000080531229 494728649 /nfs/dbraw/zinc/72/86/49/494728649.db2.gz LGKMYFZPEPEZMD-UHFFFAOYSA-N -1 3 360.483 3.287 20 0 FGADHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc(OC(F)F)c(F)c2)cc1 ZINC000057392303 494732060 /nfs/dbraw/zinc/73/20/60/494732060.db2.gz QXGQCHPNUIZOAO-UHFFFAOYSA-N -1 3 374.340 3.051 20 0 FGADHM COc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](CCCO)c2ccccc2)c1 ZINC000121386897 494733113 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CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)CO3)cc1 ZINC000025694702 494768926 /nfs/dbraw/zinc/76/89/26/494768926.db2.gz WROCPPGYVOQXTL-UHFFFAOYSA-N -1 3 360.435 3.116 20 0 FGADHM COc1cccc(C(=O)Nc2ccc(-c3cn4cccnc4n3)cc2)c1[O-] ZINC000121475558 494773553 /nfs/dbraw/zinc/77/35/53/494773553.db2.gz SXPMEGJIVBJKEZ-UHFFFAOYSA-N -1 3 360.373 3.363 20 0 FGADHM CCc1ccc([O-])c(C(=O)Nc2ccc(C)c(N3CCCS3(=O)=O)c2)c1 ZINC000131941381 494779915 /nfs/dbraw/zinc/77/99/15/494779915.db2.gz MAYFLWIYWZLRML-UHFFFAOYSA-N -1 3 374.462 3.055 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N[C@@H]1C[C@H]1C ZINC000075529339 494784670 /nfs/dbraw/zinc/78/46/70/494784670.db2.gz LJZCWTBYPPKKBV-SJKOYZFVSA-N -1 3 362.426 3.073 20 0 FGADHM Cc1ccccc1[C@H](C)CC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000116442634 494787858 /nfs/dbraw/zinc/78/78/58/494787858.db2.gz KYMBOURNVAPPLF-QGZVFWFLSA-N -1 3 366.461 3.179 20 0 FGADHM C[C@@H](NC(=O)c1c([O-])cccc1O)c1noc(-c2ccc(Cl)cc2)n1 ZINC000092124185 494797578 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CC[C@@H](NC(=O)c1cc(=O)[n-]c(C2CC2)n1)c1nc(-c2ccccc2)c[nH]1 ZINC000568650554 505745731 /nfs/dbraw/zinc/74/57/31/505745731.db2.gz QOACMDLEYSSZND-CQSZACIVSA-N -1 3 363.421 3.331 20 0 FGADHM Cc1ccc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccccc2C)c([O-])c1 ZINC000109214958 494847870 /nfs/dbraw/zinc/84/78/70/494847870.db2.gz HEWYGAQVTFLGEO-MRXNPFEDSA-N -1 3 356.447 3.163 20 0 FGADHM Cc1ccc([O-])c(C(=O)N2CSC[C@@H]2C(=O)Nc2ccccc2C)c1 ZINC000109215118 494847881 /nfs/dbraw/zinc/84/78/81/494847881.db2.gz GAEDFESJTMDBBR-MRXNPFEDSA-N -1 3 356.447 3.163 20 0 FGADHM CCC[C@H](NC(=O)c1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1)C1CCCCC1 ZINC000132264956 494848770 /nfs/dbraw/zinc/84/87/70/494848770.db2.gz SVLJBUVXHITBAW-LAUBAEHRSA-N -1 3 371.481 3.220 20 0 FGADHM O=S(=O)(Cc1cccc(F)c1)[N-][C@@H](c1nccs1)c1ccccc1 ZINC000109343216 494861660 /nfs/dbraw/zinc/86/16/60/494861660.db2.gz AMTNVPHZDMGHTM-MRXNPFEDSA-N -1 3 362.451 3.491 20 0 FGADHM CN(Cc1cccc(OC(F)(F)F)c1)C(=O)c1ccc2n[n-]nc2c1 ZINC000126921211 494861992 /nfs/dbraw/zinc/86/19/92/494861992.db2.gz DRIWHMMUMYSBOQ-UHFFFAOYSA-N -1 3 350.300 3.129 20 0 FGADHM CCCC[C@@H](COC)NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000126948770 494866989 /nfs/dbraw/zinc/86/69/89/494866989.db2.gz WWKGOCKVIJSEQW-LBPRGKRZSA-N -1 3 359.264 3.159 20 0 FGADHM COc1ccc(Br)c(CC(=O)Nc2ccc([O-])cc2F)c1 ZINC000121849806 494874763 /nfs/dbraw/zinc/87/47/63/494874763.db2.gz CBZGRCJSJCCLCX-UHFFFAOYSA-N -1 3 354.175 3.484 20 0 FGADHM Cc1cc(Cl)cc(NC(=O)c2ccc(C)c(S(C)(=O)=O)c2)c1[O-] ZINC000116980560 494879435 /nfs/dbraw/zinc/87/94/35/494879435.db2.gz KTJGSFDNFFTRGJ-UHFFFAOYSA-N -1 3 353.827 3.318 20 0 FGADHM Cc1cc(Cl)cc(NC(=O)C[C@@H](NC(N)=O)c2cccs2)c1[O-] ZINC000116980356 494879593 /nfs/dbraw/zinc/87/95/93/494879593.db2.gz PLJAODNEGPDBDC-SNVBAGLBSA-N -1 3 353.831 3.154 20 0 FGADHM CN(C)[C@H](CNC(=O)c1cc(Br)ccc1[O-])c1cccs1 ZINC000027676398 494880778 /nfs/dbraw/zinc/88/07/78/494880778.db2.gz UUGMPSOMDGDIMH-GFCCVEGCSA-N -1 3 369.284 3.249 20 0 FGADHM O=C(NCCCNC(=O)c1cccc([O-])c1)c1occc1-c1ccccc1 ZINC000121889489 494883292 /nfs/dbraw/zinc/88/32/92/494883292.db2.gz JMWASLVSYCLSFF-UHFFFAOYSA-N -1 3 364.401 3.202 20 0 FGADHM O=C(CCSc1n[n-]c(-c2ccccn2)n1)NCc1ccccc1Cl ZINC000117112943 494892455 /nfs/dbraw/zinc/89/24/55/494892455.db2.gz AKPKCJQTVFMIKD-UHFFFAOYSA-N -1 3 373.869 3.319 20 0 FGADHM Cc1ccc(F)cc1NC(=O)[C@@H](C)Sc1n[n-]c(-c2ccccn2)n1 ZINC000117115758 494893445 /nfs/dbraw/zinc/89/34/45/494893445.db2.gz NRNYSWOOIHBNDM-LLVKDONJSA-N -1 3 357.414 3.434 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N(Cc2ccccc2)C[C@H]2CCCO2)c1 ZINC000121951160 494897676 /nfs/dbraw/zinc/89/76/76/494897676.db2.gz ZKKOFKPZVWPDJJ-GOSISDBHSA-N -1 3 368.433 3.172 20 0 FGADHM CC(C)C(=O)Nc1ccc(C(=O)Nc2n[n-]c(-c3ccccc3F)n2)cc1 ZINC000109625873 494898012 /nfs/dbraw/zinc/89/80/12/494898012.db2.gz YESAFEKETFZHOZ-UHFFFAOYSA-N -1 3 367.384 3.458 20 0 FGADHM C[C@@H](NC(=O)CC1CCCCC1)C(=O)Nc1n[n-]c(-c2ccccc2F)n1 ZINC000109625751 494898475 /nfs/dbraw/zinc/89/84/75/494898475.db2.gz YLMPZPBHFLTTIL-GFCCVEGCSA-N -1 3 373.432 3.024 20 0 FGADHM CCc1ccc([O-])c(C(=O)N2CCCN(Cc3csc(C)n3)CC2)c1 ZINC000109651899 494902318 /nfs/dbraw/zinc/90/23/18/494902318.db2.gz CBZOSZMHSNPRGM-UHFFFAOYSA-N -1 3 359.495 3.068 20 0 FGADHM Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000109673115 494905371 /nfs/dbraw/zinc/90/53/71/494905371.db2.gz IKHLZGPTGUFNLP-MRXNPFEDSA-N -1 3 369.465 3.433 20 0 FGADHM O=S(=O)(Cc1ccccc1Oc1ccccc1)c1nc(C2CC2)n[n-]1 ZINC000127180265 494905677 /nfs/dbraw/zinc/90/56/77/494905677.db2.gz ATWVCYXAHRMTHI-UHFFFAOYSA-N -1 3 355.419 3.448 20 0 FGADHM O=S(=O)(Cc1ccccc1Oc1ccccc1)c1nnc(C2CC2)[n-]1 ZINC000127180265 494905679 /nfs/dbraw/zinc/90/56/79/494905679.db2.gz ATWVCYXAHRMTHI-UHFFFAOYSA-N -1 3 355.419 3.448 20 0 FGADHM CS[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(Br)s2)C1 ZINC000117375993 494914913 /nfs/dbraw/zinc/91/49/13/494914913.db2.gz GUKGTXJDJDXEFK-DTWKUNHWSA-N -1 3 370.359 3.463 20 0 FGADHM 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FGADHM O=S(=O)([N-]CCNCc1ccc(Cl)s1)c1ccc(Cl)s1 ZINC000127800059 495000457 /nfs/dbraw/zinc/00/04/57/495000457.db2.gz WQNRKXKJXOJNID-UHFFFAOYSA-N -1 3 371.336 3.185 20 0 FGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC000110786230 495010008 /nfs/dbraw/zinc/01/00/08/495010008.db2.gz TVAJJLMQBIVIHR-VQTJNVASSA-N -1 3 369.428 3.440 20 0 FGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC000110786230 495010012 /nfs/dbraw/zinc/01/00/12/495010012.db2.gz TVAJJLMQBIVIHR-VQTJNVASSA-N -1 3 369.428 3.440 20 0 FGADHM COc1ccc([O-])c(C(=O)N2CCC(c3c[nH]c4ncccc34)CC2)c1 ZINC000097126347 495024179 /nfs/dbraw/zinc/02/41/79/495024179.db2.gz JIMADPXUFPYFCC-UHFFFAOYSA-N -1 3 351.406 3.297 20 0 FGADHM CCCCN(CC)C(=O)Cc1csc(NC(=O)c2cccc([O-])c2)n1 ZINC000118760568 495032289 /nfs/dbraw/zinc/03/22/89/495032289.db2.gz XXUJLVMRIISEJO-UHFFFAOYSA-N -1 3 361.467 3.292 20 0 FGADHM C[C@@H]1C[C@H](C)CN(C(=O)Cc2csc(NC(=O)c3cccc([O-])c3)n2)C1 ZINC000118757178 495032468 /nfs/dbraw/zinc/03/24/68/495032468.db2.gz ZJZKMGPJFKEURG-BETUJISGSA-N -1 3 373.478 3.148 20 0 FGADHM COc1ccc(Cl)cc1CN(C)C(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000097371368 495033832 /nfs/dbraw/zinc/03/38/32/495033832.db2.gz BCGZWRJTGHPYPD-UHFFFAOYSA-N -1 3 362.813 3.285 20 0 FGADHM C[C@@H](NC(C)(C)C[N-]S(=O)(=O)c1cc(F)ccc1F)c1ccccc1 ZINC000111050837 495035092 /nfs/dbraw/zinc/03/50/92/495035092.db2.gz PNZDNTSCUJNAPG-CYBMUJFWSA-N -1 3 368.449 3.373 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)C[C@@H](C)c3ccccc3OC)[n-]c21 ZINC000122887570 495047051 /nfs/dbraw/zinc/04/70/51/495047051.db2.gz LCGPIWFSJFTOIB-GFCCVEGCSA-N -1 3 367.405 3.490 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)C[C@@H](C)c3ccccc3OC)nc21 ZINC000122887570 495047055 /nfs/dbraw/zinc/04/70/55/495047055.db2.gz LCGPIWFSJFTOIB-GFCCVEGCSA-N -1 3 367.405 3.490 20 0 FGADHM COc1ccc(Br)c([N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000111324730 495064263 /nfs/dbraw/zinc/06/42/63/495064263.db2.gz HDOMPLQCNHHKCS-UHFFFAOYSA-N -1 3 360.204 3.398 20 0 FGADHM O=C(Nc1ccc(Br)cc1[O-])c1cccnc1OCC(F)F ZINC000133823723 495065919 /nfs/dbraw/zinc/06/59/19/495065919.db2.gz GRZNQKPXNAORML-UHFFFAOYSA-N -1 3 373.153 3.446 20 0 FGADHM Cc1ccc(CC[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)cn1 ZINC000111356164 495066618 /nfs/dbraw/zinc/06/66/18/495066618.db2.gz HMNGBXSMSQEBAD-UHFFFAOYSA-N -1 3 362.348 3.069 20 0 FGADHM Cc1ccc(F)c(S(=O)(=O)[N-][C@@H](C)c2noc(-c3ccccc3)n2)c1 ZINC000128307841 495077366 /nfs/dbraw/zinc/07/73/66/495077366.db2.gz AZFMRFANJQUZMA-LBPRGKRZSA-N -1 3 361.398 3.224 20 0 FGADHM CCCC(=O)Nc1ccc(C[N-]S(=O)(=O)c2cccc(F)c2F)cc1 ZINC000101572244 495080594 /nfs/dbraw/zinc/08/05/94/495080594.db2.gz FBOXRWUWDLFSOB-UHFFFAOYSA-N -1 3 368.405 3.182 20 0 FGADHM COC(=O)c1c(C)nc(=O)[n-]c1SCc1cc(Cl)ccc1Cl ZINC000133974002 495088325 /nfs/dbraw/zinc/08/83/25/495088325.db2.gz QMQKNSNCIURKML-UHFFFAOYSA-N -1 3 359.234 3.464 20 0 FGADHM C[C@@]1(C(=O)Nc2cccc([O-])c2F)CCCN(C(=O)c2ccccc2)C1 ZINC000128430290 495095491 /nfs/dbraw/zinc/09/54/91/495095491.db2.gz 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495168165 /nfs/dbraw/zinc/16/81/65/495168165.db2.gz VPJAOXZQCSXKGZ-GOSISDBHSA-N -1 3 368.477 3.064 20 0 FGADHM COc1cc(F)c(S(=O)(=O)[N-][C@H](C)c2ccc(C)c(F)c2)cc1OC ZINC000119490898 495176512 /nfs/dbraw/zinc/17/65/12/495176512.db2.gz WTPKBOQLQNIMNL-LLVKDONJSA-N -1 3 371.405 3.330 20 0 FGADHM O=S(=O)([N-][C@H]1CCOC2(CCCC2)C1)c1ccccc1C(F)(F)F ZINC000134640356 495180189 /nfs/dbraw/zinc/18/01/89/495180189.db2.gz RRHWGVFRSFHOPE-LBPRGKRZSA-N -1 3 363.401 3.476 20 0 FGADHM C[C@H](Oc1ccc(F)cc1Cl)C(=O)Nc1cc(-c2nccn2C)[n-]n1 ZINC000119532092 495184657 /nfs/dbraw/zinc/18/46/57/495184657.db2.gz ZFUYBSCVWITFIL-VIFPVBQESA-N -1 3 363.780 3.009 20 0 FGADHM C[C@H](Oc1ccc(F)cc1Cl)C(=O)Nc1cc(-c2nccn2C)n[n-]1 ZINC000119532092 495184660 /nfs/dbraw/zinc/18/46/60/495184660.db2.gz ZFUYBSCVWITFIL-VIFPVBQESA-N -1 3 363.780 3.009 20 0 FGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)C(F)(F)F)cc1 ZINC000119540335 495186741 /nfs/dbraw/zinc/18/67/41/495186741.db2.gz QYFURIPVZGYSJB-AWEZNQCLSA-N -1 3 373.352 3.055 20 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/nfs/dbraw/zinc/54/72/08/495547208.db2.gz ALENDXKLCTUVFB-UHFFFAOYSA-N -1 3 372.509 3.382 20 0 FGADHM CC(C)Cn1ccnc1C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000182415468 495555736 /nfs/dbraw/zinc/55/57/36/495555736.db2.gz FKPRSVJAUVLUFM-UHFFFAOYSA-N -1 3 362.282 3.324 20 0 FGADHM COc1ccc(CN2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1Cl ZINC000179376523 495566715 /nfs/dbraw/zinc/56/67/15/495566715.db2.gz FFQZKAUPRKRLLG-UHFFFAOYSA-N -1 3 360.841 3.012 20 0 FGADHM CCO[C@@H](CC[N-]S(=O)(=O)c1ccc(Br)s1)C(C)C ZINC000173521255 495570761 /nfs/dbraw/zinc/57/07/61/495570761.db2.gz VYITVTACIYUWLZ-JTQLQIEISA-N -1 3 370.334 3.240 20 0 FGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-][C@H](C)c1cc(C)oc1C ZINC000158761866 495583709 /nfs/dbraw/zinc/58/37/09/495583709.db2.gz QGDJCXLZTQSRCF-SNVBAGLBSA-N -1 3 371.842 3.376 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H](C)OCCC(C)C)c2)n1 ZINC000149039718 495590462 /nfs/dbraw/zinc/59/04/62/495590462.db2.gz ZXOPPPMIXYCVRY-AWEZNQCLSA-N -1 3 357.454 3.389 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CCC3CCOCC3)c2)n1 ZINC000173565006 495590477 /nfs/dbraw/zinc/59/04/77/495590477.db2.gz CZLDZZQUOLHPNL-UHFFFAOYSA-N -1 3 355.438 3.145 20 0 FGADHM C[C@@H]1CN(Cc2ccccc2CNCc2cc([O-])cc(F)c2)C[C@H](C)O1 ZINC000185482178 495594492 /nfs/dbraw/zinc/59/44/92/495594492.db2.gz IGXNUQWKOVQLNN-IYBDPMFKSA-N -1 3 358.457 3.430 20 0 FGADHM O=c1cc(-c2noc([C@@H]3C[C@H]3c3ccccc3OC(F)(F)F)n2)nc[n-]1 ZINC000574518664 505791206 /nfs/dbraw/zinc/79/12/06/505791206.db2.gz PZTZLLMRCFILRJ-VHSXEESVSA-N -1 3 364.283 3.402 20 0 FGADHM CCOc1cccnc1C(=O)[N-]c1nnc(Cc2cccc(F)c2)s1 ZINC000176329658 495602881 /nfs/dbraw/zinc/60/28/81/495602881.db2.gz JMEVRCXCSADTNP-UHFFFAOYSA-N -1 3 358.398 3.314 20 0 FGADHM O=S(=O)([N-]c1c(F)cccc1CO)c1cccc(OC(F)(F)F)c1 ZINC000158901402 495612554 /nfs/dbraw/zinc/61/25/54/495612554.db2.gz BVEKQNVZKRHGMQ-UHFFFAOYSA-N -1 3 365.304 3.017 20 0 FGADHM CO[C@@H]1CCCN(Cc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)C1 ZINC000170820888 495614369 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O=S(=O)([N-][C@H](c1ccccc1)[C@H]1CCCO1)c1ccc(F)c(F)c1 ZINC000171042011 495699844 /nfs/dbraw/zinc/69/98/44/495699844.db2.gz BDLJIFSHOSILEX-IAGOWNOFSA-N -1 3 353.390 3.163 20 0 FGADHM O=S(=O)([N-][C@H](c1ccccc1)[C@H]1CCCO1)c1ccc(F)cc1F ZINC000171041967 495700169 /nfs/dbraw/zinc/70/01/69/495700169.db2.gz YXEFLGVYENFFPF-NVXWUHKLSA-N -1 3 353.390 3.163 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)N[C@@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000179754916 495719337 /nfs/dbraw/zinc/71/93/37/495719337.db2.gz XGAJGDOTURHUKG-CQSZACIVSA-N -1 3 363.820 3.263 20 0 FGADHM CCOc1cc(C(=O)NCc2ccccc2CN(C)C)cc(Cl)c1[O-] ZINC000171102311 495725032 /nfs/dbraw/zinc/72/50/32/495725032.db2.gz DKLLMFKVKHILJW-UHFFFAOYSA-N -1 3 362.857 3.436 20 0 FGADHM COCC1=CCN(Cc2nc(=O)c3cc(-c4ccccc4)sc3[n-]2)CC1 ZINC000185819597 495736431 /nfs/dbraw/zinc/73/64/31/495736431.db2.gz QLRUPABAJJRBER-UHFFFAOYSA-N -1 3 367.474 3.430 20 0 FGADHM CC[C@H](C)C[C@@H](C)NC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000182876001 495738186 /nfs/dbraw/zinc/73/81/86/495738186.db2.gz JKRBGNQMVMMGHZ-NWDGAFQWSA-N -1 3 359.426 3.495 20 0 FGADHM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]C(C)(C)C(C)C ZINC000577837431 505801616 /nfs/dbraw/zinc/80/16/16/505801616.db2.gz VZSGCBHPSZWKFH-LBPRGKRZSA-N -1 3 363.907 3.467 20 0 FGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)c2csc(CC(C)C)n2)c1 ZINC000173983864 495775262 /nfs/dbraw/zinc/77/52/62/495775262.db2.gz PLNLNLXFLABQIK-UHFFFAOYSA-N -1 3 367.496 3.274 20 0 FGADHM Cc1cccc(O[C@@H](C)C(=O)Nc2cc(C)ccc2[N-]S(C)(=O)=O)c1 ZINC000173984979 495777216 /nfs/dbraw/zinc/77/72/16/495777216.db2.gz RYSHVUSLLKPPSN-AWEZNQCLSA-N -1 3 362.451 3.081 20 0 FGADHM Cc1cc(C(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)c(F)cc1F ZINC000151232398 495779254 /nfs/dbraw/zinc/77/92/54/495779254.db2.gz JVPOQKSOTZWTCR-UHFFFAOYSA-N -1 3 374.387 3.470 20 0 FGADHM Cc1nc(C)c(S(=O)(=O)[N-]C[C@H]2CCCO[C@@H]2c2ccccc2)s1 ZINC000176844781 495808830 /nfs/dbraw/zinc/80/88/30/495808830.db2.gz URTBUADBVYYAAB-HZPDHXFCSA-N -1 3 366.508 3.206 20 0 FGADHM Cc1noc(C)c1C(C)(C)[N-]S(=O)(=O)c1nc2ccccc2s1 ZINC000574569896 505805053 /nfs/dbraw/zinc/80/50/53/505805053.db2.gz DDSOMXHCLVXUPV-UHFFFAOYSA-N -1 3 351.453 3.115 20 0 FGADHM O=C([N-]c1cc2c(cc1F)CCC(=O)N2)c1ncsc1Br ZINC000568910146 505806453 /nfs/dbraw/zinc/80/64/53/505806453.db2.gz ZJZSKARCZCPPHI-UHFFFAOYSA-N -1 3 370.203 3.182 20 0 FGADHM CC(C)Oc1cccnc1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000151561900 495880081 /nfs/dbraw/zinc/88/00/81/495880081.db2.gz MLFTWMYQHDRYEH-UHFFFAOYSA-N -1 3 365.227 3.267 20 0 FGADHM CCOc1ccc(S(=O)(=O)[N-]c2cc(F)c(OC)cc2F)c(C)c1 ZINC000177011825 495882650 /nfs/dbraw/zinc/88/26/50/495882650.db2.gz BPVCWEQUJDQPON-UHFFFAOYSA-N -1 3 357.378 3.481 20 0 FGADHM CC(C)CC[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000186178167 495885350 /nfs/dbraw/zinc/88/53/50/495885350.db2.gz WOJBGNPWZDDKFU-CYBMUJFWSA-N -1 3 361.891 3.080 20 0 FGADHM O=C(Nc1ccc2nc(C3CC3)sc2c1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000171473300 495891336 /nfs/dbraw/zinc/89/13/36/495891336.db2.gz KGCPWKIOLTWTTM-UHFFFAOYSA-N -1 3 363.398 3.310 20 0 FGADHM CCO[C@@H](C(=O)Nc1n[n-]c(-c2ccccc2OC)n1)c1ccccc1 ZINC000171477424 495893419 /nfs/dbraw/zinc/89/34/19/495893419.db2.gz CELORBUVAATNEQ-MRXNPFEDSA-N -1 3 352.394 3.197 20 0 FGADHM Cn1ccnc1-c1cc(NC(=O)c2cc3ccccc3c(Cl)n2)n[n-]1 ZINC000183241393 495894545 /nfs/dbraw/zinc/89/45/45/495894545.db2.gz XPFYCRPMROXDJC-UHFFFAOYSA-N -1 3 352.785 3.264 20 0 FGADHM Cn1ccnc1-c1cc(NC(=O)c2cc3ccccc3c(Cl)n2)[n-]n1 ZINC000183241393 495894548 /nfs/dbraw/zinc/89/45/48/495894548.db2.gz XPFYCRPMROXDJC-UHFFFAOYSA-N -1 3 352.785 3.264 20 0 FGADHM O=C(c1c(F)cccc1Cl)N1CCN(Cc2cc([O-])cc(F)c2)CC1 ZINC000186199041 495894692 /nfs/dbraw/zinc/89/46/92/495894692.db2.gz LXTCCPBHLHXKHO-UHFFFAOYSA-N -1 3 366.795 3.282 20 0 FGADHM O=C(NCc1ccccc1)NC1(C(=O)Nc2ccc([O-])cc2F)CCCC1 ZINC000183244514 495895846 /nfs/dbraw/zinc/89/58/46/495895846.db2.gz VAFVRGSWDIDMJU-UHFFFAOYSA-N -1 3 371.412 3.282 20 0 FGADHM O=C(c1cc(Br)cc(Cl)c1[O-])N1CC[C@H](N2CCCC2)C1 ZINC000174292069 495897700 /nfs/dbraw/zinc/89/77/00/495897700.db2.gz ZZINHCOUPWKFND-NSHDSACASA-N -1 3 373.678 3.118 20 0 FGADHM CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1ccc([O-])cc1F ZINC000183260524 495904867 /nfs/dbraw/zinc/90/48/67/495904867.db2.gz YPOMTQFESMTACY-BFUOFWGJSA-N -1 3 370.424 3.469 20 0 FGADHM CN(C)CCOc1ccc([N-]S(=O)(=O)c2cccc(F)c2)cc1Cl ZINC000174325593 495911475 /nfs/dbraw/zinc/91/14/75/495911475.db2.gz HDSQDGYQZRPAHF-UHFFFAOYSA-N -1 3 372.849 3.220 20 0 FGADHM COC(=O)[C@H](c1cc(F)c(F)c(F)c1)N(C)Cc1cc([O-])cc(F)c1 ZINC000186253509 495915284 /nfs/dbraw/zinc/91/52/84/495915284.db2.gz BHYONROBDKLSIS-INIZCTEOSA-N -1 3 357.303 3.295 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)N1CCO[C@H](CCc2ccccc2)C1 ZINC000186261407 495918530 /nfs/dbraw/zinc/91/85/30/495918530.db2.gz HWGHQHKSRJMXED-QGZVFWFLSA-N -1 3 358.413 3.075 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)NC[C@@H](c1cccs1)N1CCCC1 ZINC000155342895 495926996 /nfs/dbraw/zinc/92/69/96/495926996.db2.gz YEXGHFDHFBPRAZ-HNNXBMFYSA-N -1 3 363.458 3.229 20 0 FGADHM CC[C@@H](C(=O)Nc1nnc(SCCO)[n-]1)c1cccc(C(F)(F)F)c1 ZINC000155381648 495939900 /nfs/dbraw/zinc/93/99/00/495939900.db2.gz WQSJQFHIQLJBRW-LLVKDONJSA-N -1 3 374.388 3.040 20 0 FGADHM CC[C@@H](C(=O)Nc1nc(SCCO)n[n-]1)c1cccc(C(F)(F)F)c1 ZINC000155381648 495939908 /nfs/dbraw/zinc/93/99/08/495939908.db2.gz WQSJQFHIQLJBRW-LLVKDONJSA-N -1 3 374.388 3.040 20 0 FGADHM CC[C@@H](C(=O)Nc1n[n-]c(SCCO)n1)c1cccc(C(F)(F)F)c1 ZINC000155381648 495939917 /nfs/dbraw/zinc/93/99/17/495939917.db2.gz WQSJQFHIQLJBRW-LLVKDONJSA-N -1 3 374.388 3.040 20 0 FGADHM C[C@@H]1CCN(C(=O)c2ccc3c(c2)CCC(=O)N3C)c2c([O-])cccc21 ZINC000186321895 495946985 /nfs/dbraw/zinc/94/69/85/495946985.db2.gz SOPUMMIAQFTIEQ-CYBMUJFWSA-N -1 3 350.418 3.455 20 0 FGADHM Cc1ccc([O-])c(C(=O)N2CCC([C@H](C)NC(=O)OC(C)(C)C)CC2)c1 ZINC000171621483 495952590 /nfs/dbraw/zinc/95/25/90/495952590.db2.gz VPXDXYXOVKYABP-AWEZNQCLSA-N -1 3 362.470 3.466 20 0 FGADHM CCS(=O)(=O)c1ccc(C(=O)N2CC[C@H](C)c3cccc([O-])c32)cc1 ZINC000186339254 495954186 /nfs/dbraw/zinc/95/41/86/495954186.db2.gz CZOYTUFKFPYHQI-ZDUSSCGKSA-N -1 3 359.447 3.340 20 0 FGADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]CCCC(C)C)cc1Cl ZINC000171629508 495955209 /nfs/dbraw/zinc/95/52/09/495955209.db2.gz XADUVHDNRKAFMN-UHFFFAOYSA-N -1 3 350.843 3.152 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CC[C@@H](C)C[C@@H]2C)c1 ZINC000186344516 495956745 /nfs/dbraw/zinc/95/67/45/495956745.db2.gz BYLDBEYRNYTCDS-BWACUDIHSA-N -1 3 371.437 3.495 20 0 FGADHM CN(Cc1cnccn1)Cc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000177241613 495991067 /nfs/dbraw/zinc/99/10/67/495991067.db2.gz HYFASMJGIJQCJQ-UHFFFAOYSA-N -1 3 363.446 3.074 20 0 FGADHM C[C@H](NC(=O)c1cc(F)c(F)c([O-])c1F)[C@H](c1ccccc1)N(C)C ZINC000186493757 496018726 /nfs/dbraw/zinc/01/87/26/496018726.db2.gz JEUPGAOGFMSFKF-MGPLVRAMSA-N -1 3 352.356 3.231 20 0 FGADHM O=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)c1cccc2nn[n-]c21 ZINC000183590556 496041047 /nfs/dbraw/zinc/04/10/47/496041047.db2.gz CDAGETTWODNDRT-UHFFFAOYSA-N -1 3 363.402 3.269 20 0 FGADHM O=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)c1cccc2[n-]nnc21 ZINC000183590556 496041051 /nfs/dbraw/zinc/04/10/51/496041051.db2.gz CDAGETTWODNDRT-UHFFFAOYSA-N -1 3 363.402 3.269 20 0 FGADHM O=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)c1cccc2n[n-]nc21 ZINC000183590556 496041053 /nfs/dbraw/zinc/04/10/53/496041053.db2.gz CDAGETTWODNDRT-UHFFFAOYSA-N -1 3 363.402 3.269 20 0 FGADHM CN(CC(=O)NC(C)(C)C)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000177391267 496043244 /nfs/dbraw/zinc/04/32/44/496043244.db2.gz OGXHVENAZFIMES-UHFFFAOYSA-N -1 3 356.422 3.171 20 0 FGADHM CS(=O)(=O)c1ccc(F)c([N-]C(=O)c2cc(F)cc3cccnc32)c1 ZINC000155719288 496046559 /nfs/dbraw/zinc/04/65/59/496046559.db2.gz XGYRKKWBLOWHGD-UHFFFAOYSA-N -1 3 362.357 3.169 20 0 FGADHM NC(=O)CC[C@@H]1CCCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC000177404572 496048935 /nfs/dbraw/zinc/04/89/35/496048935.db2.gz NIJFTYKTGFGIKU-HNNXBMFYSA-N -1 3 368.433 3.302 20 0 FGADHM O=S(=O)([N-]Cc1nc2ccccc2n1C1CC1)c1ccc(F)c(F)c1 ZINC000183641036 496058222 /nfs/dbraw/zinc/05/82/22/496058222.db2.gz BFZMRAOMFNTGSL-UHFFFAOYSA-N -1 3 363.389 3.128 20 0 FGADHM CCOC(=O)c1ccsc1[N-]C(=O)C(=O)N(C)[C@H](C)c1ccccc1 ZINC000174684222 496060194 /nfs/dbraw/zinc/06/01/94/496060194.db2.gz ZRHKOINZHDEKDE-GFCCVEGCSA-N -1 3 360.435 3.083 20 0 FGADHM C[C@H]1CCc2c(sc3[n-]c(CC(=O)N(C)C4CCCCC4)nc(=O)c23)C1 ZINC000171856471 496064285 /nfs/dbraw/zinc/06/42/85/496064285.db2.gz SJAYQXYJYKHZKE-LBPRGKRZSA-N -1 3 373.522 3.443 20 0 FGADHM O=C(Nc1ccc([O-])c(Cl)c1)[C@@H](c1ccccc1)N1CCC(O)CC1 ZINC000183708930 496088179 /nfs/dbraw/zinc/08/81/79/496088179.db2.gz ZRNSFHCXRFFJLQ-GOSISDBHSA-N -1 3 360.841 3.182 20 0 FGADHM COC(=O)c1ccccc1S(=O)(=O)[N-]c1c(F)cc(Cl)cc1F ZINC000180661892 496092710 /nfs/dbraw/zinc/09/27/10/496092710.db2.gz ORDWPVGMJXNDNC-UHFFFAOYSA-N -1 3 361.753 3.206 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)NCCc3cc(F)ccc3F)c[n-]c12 ZINC000155876277 496094065 /nfs/dbraw/zinc/09/40/65/496094065.db2.gz AOAIDPWVAWSNQK-UHFFFAOYSA-N -1 3 360.335 3.226 20 0 FGADHM CCNc1ncc(C(=O)[N-]c2nnc(-c3ccc(OC)cc3)s2)s1 ZINC000155896273 496100005 /nfs/dbraw/zinc/10/00/05/496100005.db2.gz PHYNSQBATQWRHL-UHFFFAOYSA-N -1 3 361.452 3.354 20 0 FGADHM CC[C@H](C)CN(C)C(=O)C(=O)[N-]c1scc(CC(C)C)c1C(=O)OC ZINC000174856018 496135439 /nfs/dbraw/zinc/13/54/39/496135439.db2.gz TVJKIZAPWWDQOA-LBPRGKRZSA-N -1 3 368.499 3.176 20 0 FGADHM COC(=O)c1ccsc1[N-]C(=O)C(=O)N(C)[C@H](c1ccccc1)C(C)C ZINC000174868015 496140859 /nfs/dbraw/zinc/14/08/59/496140859.db2.gz IBAUFBUEVPOHOE-HNNXBMFYSA-N -1 3 374.462 3.329 20 0 FGADHM CSC[C@H](C)NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000183863538 496140926 /nfs/dbraw/zinc/14/09/26/496140926.db2.gz OWCATEMPOVKQKW-KSSFIOAISA-N -1 3 372.490 3.121 20 0 FGADHM CCc1ccc(NC(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)cc1F ZINC000152464556 496160351 /nfs/dbraw/zinc/16/03/51/496160351.db2.gz RMWLGUZBPMEVTP-UHFFFAOYSA-N -1 3 366.396 3.023 20 0 FGADHM CCOc1cc(C(=O)N(CCN(C)C)C2CCCC2)cc(Cl)c1[O-] ZINC000186809614 496162092 /nfs/dbraw/zinc/16/20/92/496162092.db2.gz NINRFMYRKFGTHV-UHFFFAOYSA-N -1 3 354.878 3.391 20 0 FGADHM COc1ccc(-n2nnc(C(=O)[N-]c3c(C)noc3C3CC3)c2C)cc1 ZINC000183937881 496168403 /nfs/dbraw/zinc/16/84/03/496168403.db2.gz WDXQXDSOBZTFDB-UHFFFAOYSA-N -1 3 353.382 3.010 20 0 FGADHM Cc1nc(S(=O)(=O)Cc2nc(C3CCCC3)no2)[n-]c1-c1ccccc1 ZINC000186843484 496176968 /nfs/dbraw/zinc/17/69/68/496176968.db2.gz JVICIJNUGJDRRE-UHFFFAOYSA-N -1 3 372.450 3.400 20 0 FGADHM Cc1[n-]c(S(=O)(=O)Cc2nc(C3CCCC3)no2)nc1-c1ccccc1 ZINC000186843484 496176976 /nfs/dbraw/zinc/17/69/76/496176976.db2.gz JVICIJNUGJDRRE-UHFFFAOYSA-N -1 3 372.450 3.400 20 0 FGADHM COc1ccccc1-c1nc(CS(=O)(=O)c2cccc([O-])c2)cs1 ZINC000183986277 496188339 /nfs/dbraw/zinc/18/83/39/496188339.db2.gz NKMSCYIABWOTTL-UHFFFAOYSA-N -1 3 361.444 3.498 20 0 FGADHM O=C([N-]c1nnc(/C=C/c2ccco2)s1)c1cn(-c2ccccc2)nn1 ZINC000152561105 496188873 /nfs/dbraw/zinc/18/88/73/496188873.db2.gz KRWGXNWJPKTMRP-CMDGGOBGSA-N -1 3 364.390 3.135 20 0 FGADHM CC(C)C[C@@H](NC(=O)CS(=O)(=O)c1cccc([O-])c1)c1ccccc1 ZINC000183992406 496190855 /nfs/dbraw/zinc/19/08/55/496190855.db2.gz NSNZHJJQSLAPBW-GOSISDBHSA-N -1 3 361.463 3.070 20 0 FGADHM Cc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1ccccc1OC(F)F)CO2 ZINC000152588936 496196523 /nfs/dbraw/zinc/19/65/23/496196523.db2.gz IGRYQCPAIZFRMO-LBPRGKRZSA-N -1 3 355.362 3.008 20 0 FGADHM Cc1noc(CSc2ccccc2C(=O)NCc2ccc([O-])c(F)c2)n1 ZINC000156249256 496197672 /nfs/dbraw/zinc/19/76/72/496197672.db2.gz VMGYHTVILSGVRL-UHFFFAOYSA-N -1 3 373.409 3.445 20 0 FGADHM CCC(C)(C)c1ccc(C(=O)NCCNC(=O)c2ccc([O-])cc2)cc1 ZINC000156262845 496200627 /nfs/dbraw/zinc/20/06/27/496200627.db2.gz FOJWOZOHBLXLEK-UHFFFAOYSA-N -1 3 354.450 3.240 20 0 FGADHM CCc1onc(C)c1[N-]C(=O)c1cc(Br)c(C)nc1OC ZINC000186899183 496200757 /nfs/dbraw/zinc/20/07/57/496200757.db2.gz CWXUHHZLHWWBSJ-UHFFFAOYSA-N -1 3 354.204 3.272 20 0 FGADHM COC(=O)C(C)(C)c1ccc(NC(=O)c2c[n-]c3ccccc3c2=O)cc1 ZINC000152608032 496201405 /nfs/dbraw/zinc/20/14/05/496201405.db2.gz FFSRZXCHSVRHTD-UHFFFAOYSA-N -1 3 364.401 3.231 20 0 FGADHM COC(=O)C(C)(C)c1ccc(NC(=O)c2cnc3ccccc3c2[O-])cc1 ZINC000152608032 496201409 /nfs/dbraw/zinc/20/14/09/496201409.db2.gz FFSRZXCHSVRHTD-UHFFFAOYSA-N -1 3 364.401 3.231 20 0 FGADHM COC[C@@H]1CCCN(C(=O)c2ccc(C(=O)c3cccc([O-])c3)cc2)C1 ZINC000186930839 496215894 /nfs/dbraw/zinc/21/58/94/496215894.db2.gz VOQSETBSILEOEO-OAHLLOKOSA-N -1 3 353.418 3.122 20 0 FGADHM CCn1c2ccc(F)cc2nc1NC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000184067927 496224375 /nfs/dbraw/zinc/22/43/75/496224375.db2.gz WMVKUKIATMWJCI-UHFFFAOYSA-N -1 3 371.416 3.137 20 0 FGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(Nc2ccccc2)nc1 ZINC000175087719 496242758 /nfs/dbraw/zinc/24/27/58/496242758.db2.gz LUMVKOUEKSSEHJ-UHFFFAOYSA-N -1 3 367.434 3.191 20 0 FGADHM C[C@H](NC(=O)c1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1)[C@@H](C)C1CCCCC1 ZINC000156458059 496251097 /nfs/dbraw/zinc/25/10/97/496251097.db2.gz ZHXSPNZHBGIGRA-HKZYLEAXSA-N -1 3 371.481 3.076 20 0 FGADHM Cc1ccc(-c2cc(C(=O)Nc3cccc(C[S@@](C)=O)c3C)n[n-]2)o1 ZINC000172320053 496252760 /nfs/dbraw/zinc/25/27/60/496252760.db2.gz XBTGBCGHTJTJJU-RUZDIDTESA-N -1 3 357.435 3.417 20 0 FGADHM Cc1ccc(-c2cc(C(=O)Nc3cccc(C[S@@](C)=O)c3C)[n-]n2)o1 ZINC000172320053 496252765 /nfs/dbraw/zinc/25/27/65/496252765.db2.gz XBTGBCGHTJTJJU-RUZDIDTESA-N -1 3 357.435 3.417 20 0 FGADHM COCc1cc(C(=O)[N-]c2nc(-c3ccccc3)c(NC(C)=O)s2)no1 ZINC000187017867 496253448 /nfs/dbraw/zinc/25/34/48/496253448.db2.gz QLPCPNHBMFFSKK-UHFFFAOYSA-N -1 3 372.406 3.155 20 0 FGADHM CC(C)(C)NC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000177946170 496262311 /nfs/dbraw/zinc/26/23/11/496262311.db2.gz YFFORPCQBDUBDZ-UHFFFAOYSA-N -1 3 353.850 3.204 20 0 FGADHM COc1nnc(NC(=O)c2nc(-c3cccc(C(F)(F)F)c3)oc2C)[n-]1 ZINC000184163553 496265980 /nfs/dbraw/zinc/26/59/80/496265980.db2.gz FYFHWOCECWIFHY-UHFFFAOYSA-N -1 3 367.287 3.048 20 0 FGADHM COc1n[n-]c(NC(=O)c2nc(-c3cccc(C(F)(F)F)c3)oc2C)n1 ZINC000184163553 496265984 /nfs/dbraw/zinc/26/59/84/496265984.db2.gz FYFHWOCECWIFHY-UHFFFAOYSA-N -1 3 367.287 3.048 20 0 FGADHM COc1nc(NC(=O)c2nc(-c3cccc(C(F)(F)F)c3)oc2C)n[n-]1 ZINC000184163553 496265987 /nfs/dbraw/zinc/26/59/87/496265987.db2.gz FYFHWOCECWIFHY-UHFFFAOYSA-N -1 3 367.287 3.048 20 0 FGADHM COc1ccc([O-])c(C(=O)N2CCc3cccc(Br)c3C2)c1 ZINC000172353678 496266188 /nfs/dbraw/zinc/26/61/88/496266188.db2.gz OQNURVFFVJHHKD-UHFFFAOYSA-N -1 3 362.223 3.362 20 0 FGADHM CC(=O)N1CCCc2cc([N-]S(=O)(=O)c3ccc4c(c3)CCC4)ccc21 ZINC000156534385 496271283 /nfs/dbraw/zinc/27/12/83/496271283.db2.gz LDSNVIBEVHUPNG-UHFFFAOYSA-N -1 3 370.474 3.275 20 0 FGADHM Cc1ocnc1C[N-]S(=O)(=O)c1ccc2nc(C(C)(C)C)sc2c1 ZINC000161980136 496274230 /nfs/dbraw/zinc/27/42/30/496274230.db2.gz WUVUNLARRHJCEP-UHFFFAOYSA-N -1 3 365.480 3.369 20 0 FGADHM CS(=O)(=O)c1csc(C(=O)Nc2cc(C(F)(F)F)ccc2[O-])c1 ZINC000162010348 496280285 /nfs/dbraw/zinc/28/02/85/496280285.db2.gz NWQCLKZWKBSORP-UHFFFAOYSA-N -1 3 365.354 3.128 20 0 FGADHM O=S(=O)([N-][C@@H]1C[C@H]1c1ccccc1)c1ccc(Br)cc1F ZINC000162022430 496281690 /nfs/dbraw/zinc/28/16/90/496281690.db2.gz SMAUKJMDMISHHS-GXTWGEPZSA-N -1 3 370.243 3.423 20 0 FGADHM C[C@@H](c1nc2ccccc2o1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000181155524 496290423 /nfs/dbraw/zinc/29/04/23/496290423.db2.gz PEQLDTHYEYDUQZ-AWEZNQCLSA-N -1 3 351.406 3.052 20 0 FGADHM C[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccc(Br)cc1 ZINC000162237126 496319666 /nfs/dbraw/zinc/31/96/66/496319666.db2.gz HPQMBHNHBIRNIH-JTQLQIEISA-N -1 3 372.226 3.371 20 0 FGADHM C[C@H](C(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccc(Br)cc1 ZINC000162237126 496319673 /nfs/dbraw/zinc/31/96/73/496319673.db2.gz HPQMBHNHBIRNIH-JTQLQIEISA-N -1 3 372.226 3.371 20 0 FGADHM CCOCCOCc1cccc(NC(=O)c2ccc3n[n-]nc3c2)c1C ZINC000175305404 496332483 /nfs/dbraw/zinc/33/24/83/496332483.db2.gz RCRYLIIEUNRFJV-UHFFFAOYSA-N -1 3 354.410 3.072 20 0 FGADHM O=C(Cc1ccc([O-])cc1Cl)NCc1ncc(-c2ccccc2)cn1 ZINC000184323885 496334970 /nfs/dbraw/zinc/33/49/70/496334970.db2.gz WBJVKDPRMNQGFE-UHFFFAOYSA-N -1 3 353.809 3.362 20 0 FGADHM Cc1cc(C(=O)N[C@H]2CCCN([C@@H](C)c3ccc(F)cc3)C2=O)ccc1[O-] ZINC000571889925 505839725 /nfs/dbraw/zinc/83/97/25/505839725.db2.gz LFHLUHLYMITMKA-KSSFIOAISA-N -1 3 370.424 3.322 20 0 FGADHM CC(=O)c1ccc(C(=O)N2CC[C@@H](n3c(C)nc4c3CCCC4)C2)cc1[O-] ZINC000571885772 505838041 /nfs/dbraw/zinc/83/80/41/505838041.db2.gz FSZSLIZGJIBWMP-MRXNPFEDSA-N -1 3 367.449 3.066 20 0 FGADHM CCOc1ccc([C@H](C)NC(=O)NCc2ccc([O-])c(F)c2)cc1OC ZINC000156860087 496350177 /nfs/dbraw/zinc/35/01/77/496350177.db2.gz ILUGITYUFGGKER-LBPRGKRZSA-N -1 3 362.401 3.499 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N[C@@H]3C[C@H]3c3cccc(F)c3)c[n-]c12 ZINC000178188387 496362853 /nfs/dbraw/zinc/36/28/53/496362853.db2.gz UBFZEAOLTDTTBZ-WMLDXEAASA-N -1 3 354.356 3.401 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)[C@H]3CCCc4sccc43)[n-]c21 ZINC000162535829 496369679 /nfs/dbraw/zinc/36/96/79/496369679.db2.gz BZBDXZMGFIEPKW-NSHDSACASA-N -1 3 355.419 3.470 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@H]3CCCc4sccc43)nc21 ZINC000162535829 496369682 /nfs/dbraw/zinc/36/96/82/496369682.db2.gz BZBDXZMGFIEPKW-NSHDSACASA-N -1 3 355.419 3.470 20 0 FGADHM Cc1cccc(S(=O)(=O)[N-][C@H](C)c2noc(-c3ccccc3)n2)c1F ZINC000181374712 496370707 /nfs/dbraw/zinc/37/07/07/496370707.db2.gz ZBKJEOCFDAVEID-GFCCVEGCSA-N -1 3 361.398 3.224 20 0 FGADHM CCc1cnc(S(=O)(=O)CCCc2ccccc2Br)[n-]1 ZINC000181443223 496397384 /nfs/dbraw/zinc/39/73/84/496397384.db2.gz MBWGKKXFTIWPIA-UHFFFAOYSA-N -1 3 357.273 3.141 20 0 FGADHM CCc1c[n-]c(S(=O)(=O)CCCc2ccccc2Br)n1 ZINC000181443223 496397389 /nfs/dbraw/zinc/39/73/89/496397389.db2.gz MBWGKKXFTIWPIA-UHFFFAOYSA-N -1 3 357.273 3.141 20 0 FGADHM COc1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1CCC(C)(C)C1 ZINC000162694082 496398079 /nfs/dbraw/zinc/39/80/79/496398079.db2.gz JMOBCIWHIJMWLS-LLVKDONJSA-N -1 3 362.289 3.315 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)Cc3nc(C)sc3C)c2)n1 ZINC000153260311 496400227 /nfs/dbraw/zinc/40/02/27/496400227.db2.gz IBLNAKPPLBMLOI-UHFFFAOYSA-N -1 3 368.462 3.254 20 0 FGADHM CC(C)c1nc2n(n1)CCC[C@@H]2[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000157129197 496411494 /nfs/dbraw/zinc/41/14/94/496411494.db2.gz QHBALSPDDVTFDW-LBPRGKRZSA-N -1 3 372.853 3.007 20 0 FGADHM CN1C(=O)C[C@@H](C(=O)Nc2cc(F)ccc2[O-])[C@@H]1c1cccc(Cl)c1 ZINC000178325970 496413254 /nfs/dbraw/zinc/41/32/54/496413254.db2.gz ZNKOUNZCEQGVCU-DYVFJYSZSA-N -1 3 362.788 3.343 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)CC1CCCC1)c1nc(-c2cccc(F)c2)no1 ZINC000178356335 496426358 /nfs/dbraw/zinc/42/63/58/496426358.db2.gz XUEFGRAHCXZCKF-LLVKDONJSA-N -1 3 353.419 3.046 20 0 FGADHM O=C(Nc1nnc(-c2ccccn2)[n-]1)[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000184533934 496428261 /nfs/dbraw/zinc/42/82/61/496428261.db2.gz RFYROUHTTLAQAJ-NXEZZACHSA-N -1 3 359.311 3.026 20 0 FGADHM O=C(Nc1nc(-c2ccccn2)n[n-]1)[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000184533934 496428267 /nfs/dbraw/zinc/42/82/67/496428267.db2.gz RFYROUHTTLAQAJ-NXEZZACHSA-N -1 3 359.311 3.026 20 0 FGADHM O=C(Nc1n[n-]c(-c2ccccn2)n1)[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000184533934 496428272 /nfs/dbraw/zinc/42/82/72/496428272.db2.gz RFYROUHTTLAQAJ-NXEZZACHSA-N -1 3 359.311 3.026 20 0 FGADHM CC[C@@H](CN(CC)C(=O)CCc1c(C)nc(C)[n-]c1=O)c1ccccc1 ZINC000187407146 496428503 /nfs/dbraw/zinc/42/85/03/496428503.db2.gz KSGYDTYRUPVLTB-KRWDZBQOSA-N -1 3 355.482 3.362 20 0 FGADHM O=C(c1c[n-]c2ccccc2c1=O)N(CCc1ccccc1)[C@@H]1CCOC1 ZINC000162906683 496431971 /nfs/dbraw/zinc/43/19/71/496431971.db2.gz GQKOWWPMAMWQPY-QGZVFWFLSA-N -1 3 362.429 3.002 20 0 FGADHM O=S(=O)([N-]Cc1ccn2ccnc2c1)c1c(Cl)cccc1Cl ZINC000178402515 496442072 /nfs/dbraw/zinc/44/20/72/496442072.db2.gz UTEOQLZRHXXGCP-UHFFFAOYSA-N -1 3 356.234 3.120 20 0 FGADHM COc1ccc([O-])c(C(=O)N[C@@H](C)c2nc(-c3cccc(F)c3)no2)c1 ZINC000175601288 496459465 /nfs/dbraw/zinc/45/94/65/496459465.db2.gz YIVLYZKRYVISLO-JTQLQIEISA-N -1 3 357.341 3.081 20 0 FGADHM O=S(=O)([N-][C@@H]1CCO[C@H]1c1ccc(Cl)cc1)c1ccc(F)c(F)c1 ZINC000181597814 496463021 /nfs/dbraw/zinc/46/30/21/496463021.db2.gz SNNIBMDJVZDNIZ-CVEARBPZSA-N -1 3 373.808 3.427 20 0 FGADHM C[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2ccc3n[n-]nc3c2)CC1 ZINC000172865193 496465907 /nfs/dbraw/zinc/46/59/07/496465907.db2.gz QDDJBXRUXSPXDH-ZDUSSCGKSA-N -1 3 369.856 3.130 20 0 FGADHM Cn1ccc2ccc(NC(=O)[C@H]3CCCN3C(=O)c3ccccc3[O-])cc21 ZINC000175632937 496473334 /nfs/dbraw/zinc/47/33/34/496473334.db2.gz KHRJSYFDXYGOOA-QGZVFWFLSA-N -1 3 363.417 3.127 20 0 FGADHM COc1ccc([N-]S(=O)(=O)c2cc(C)c(F)c(C)c2)cc1NC(C)=O ZINC000172883949 496476414 /nfs/dbraw/zinc/47/64/14/496476414.db2.gz JIRRAEROGUXSAI-UHFFFAOYSA-N -1 3 366.414 3.210 20 0 FGADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]C(C1CC1)C1CC1 ZINC000178503768 496479482 /nfs/dbraw/zinc/47/94/82/496479482.db2.gz PFRVJEYTTXVNAV-UHFFFAOYSA-N -1 3 365.476 3.155 20 0 FGADHM COC(=O)c1cc(-c2csc([N-]c3ncnc4ncccc34)n2)c[nH]1 ZINC000163200566 496480027 /nfs/dbraw/zinc/48/00/27/496480027.db2.gz MEMQJFOBISOYOR-UHFFFAOYSA-N -1 3 352.379 3.007 20 0 FGADHM c1nc([N-]c2ncnc3c2cnn3-c2ncccn2)sc1-c1ccccc1 ZINC000163241379 496486205 /nfs/dbraw/zinc/48/62/05/496486205.db2.gz FAXCHOLWBYUYDM-UHFFFAOYSA-N -1 3 372.417 3.473 20 0 FGADHM O=S(=O)([N-]c1ccc2c(c1)CCO2)c1ccc(OCC(F)F)cc1 ZINC000181673249 496497148 /nfs/dbraw/zinc/49/71/48/496497148.db2.gz NIHMTRBVTLCISR-UHFFFAOYSA-N -1 3 355.362 3.066 20 0 FGADHM CC(C)CC[C@H]1CCCCN1C(=O)c1cccc([C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000163316555 496497507 /nfs/dbraw/zinc/49/75/07/496497507.db2.gz JINBQFQYVXFSQQ-UTKZUKDTSA-N -1 3 371.481 3.172 20 0 FGADHM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(F)cc2F)c1 ZINC000157543222 496500690 /nfs/dbraw/zinc/50/06/90/496500690.db2.gz HIFPZOYEJJCWHY-UHFFFAOYSA-N -1 3 361.753 3.206 20 0 FGADHM CCCCN(CCO)Cc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000153574510 496502370 /nfs/dbraw/zinc/50/23/70/496502370.db2.gz DWLHDKQWHCDNNB-UHFFFAOYSA-N -1 3 357.479 3.246 20 0 FGADHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(F)F)cc2)c(C)c1 ZINC000181688044 496504419 /nfs/dbraw/zinc/50/44/19/496504419.db2.gz 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Cc1ccc2[n-]cc(C(=O)N3CC[C@H](OCc4ccccn4)C3)c(=O)c2c1 ZINC000273213905 496742409 /nfs/dbraw/zinc/74/24/09/496742409.db2.gz LUSXWPQIEXBFRJ-INIZCTEOSA-N -1 3 363.417 3.075 20 0 FGADHM O=C(c1ccc(OCC(F)(F)F)cn1)N1CCCc2cccc([O-])c21 ZINC000277362245 496748850 /nfs/dbraw/zinc/74/88/50/496748850.db2.gz BSKKVZHTPFWUTR-UHFFFAOYSA-N -1 3 352.312 3.321 20 0 FGADHM CSc1ccc(NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000268629808 496749842 /nfs/dbraw/zinc/74/98/42/496749842.db2.gz MFYNTLBBCNMQOI-UHFFFAOYSA-N -1 3 371.462 3.104 20 0 FGADHM CCCc1cccc(CN[C@H](Cn2ccc(C(F)(F)F)n2)C(=O)[O-])c1 ZINC000277416239 496766567 /nfs/dbraw/zinc/76/65/67/496766567.db2.gz SRVUYGXQJSVWLY-CQSZACIVSA-N -1 3 355.360 3.097 20 0 FGADHM O=C(NC1CCC2(CC1)OCCO2)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000188398169 496776990 /nfs/dbraw/zinc/77/69/90/496776990.db2.gz PAKTWEGBFQRIHM-UHFFFAOYSA-N -1 3 367.858 3.207 20 0 FGADHM CCc1ccc(C(=O)NCC2CCN(Cc3nc(C)c(C)o3)CC2)c([O-])c1 ZINC000191573738 496817980 /nfs/dbraw/zinc/81/79/80/496817980.db2.gz WBVNWFDKAGZEIS-UHFFFAOYSA-N -1 3 371.481 3.201 20 0 FGADHM O=c1ccc2cc(S(=O)(=O)[N-][C@@H](C3CCCC3)C(F)(F)F)ccc2[nH]1 ZINC000273492421 496822104 /nfs/dbraw/zinc/82/21/04/496822104.db2.gz HFODCAZZCVUZHF-HNNXBMFYSA-N -1 3 374.384 3.340 20 0 FGADHM Cc1nc(-c2cccc(NC(=O)c3cn[n-]c3-c3ccsc3)c2)n[nH]1 ZINC000188541257 496825454 /nfs/dbraw/zinc/82/54/54/496825454.db2.gz FJXUEGQUYQMVFF-UHFFFAOYSA-N -1 3 350.407 3.484 20 0 FGADHM Cc1nc(-c2cccc(NC(=O)c3c[n-]nc3-c3ccsc3)c2)n[nH]1 ZINC000188541257 496825457 /nfs/dbraw/zinc/82/54/57/496825457.db2.gz FJXUEGQUYQMVFF-UHFFFAOYSA-N -1 3 350.407 3.484 20 0 FGADHM O=S(=O)([N-][C@@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1ccccc1F ZINC000273518641 496827989 /nfs/dbraw/zinc/82/79/89/496827989.db2.gz NMISIWTWEBNKBJ-GDBMZVCRSA-N -1 3 353.390 3.163 20 0 FGADHM CCCc1cnc(NC([O-])=NOC[C@@H](C)NC(=O)OC(C)(C)C)s1 ZINC000273535975 496832400 /nfs/dbraw/zinc/83/24/00/496832400.db2.gz WHSAUGJLFXUMBN-SNVBAGLBSA-N -1 3 358.464 3.062 20 0 FGADHM CCCc1cnc(NC(=O)[N-]OC[C@@H](C)NC(=O)OC(C)(C)C)s1 ZINC000273535975 496832406 /nfs/dbraw/zinc/83/24/06/496832406.db2.gz WHSAUGJLFXUMBN-SNVBAGLBSA-N -1 3 358.464 3.062 20 0 FGADHM O=S(=O)([N-]C[C@H](c1cccc(Cl)c1)N1CCCC1)c1ccco1 ZINC000188598740 496846535 /nfs/dbraw/zinc/84/65/35/496846535.db2.gz IEJJNPQDGJXKBW-OAHLLOKOSA-N -1 3 354.859 3.048 20 0 FGADHM O=C(Nc1cc2c(cc1Cl)OCCO2)c1n[n-]nc1-c1ccccc1 ZINC000188620653 496854971 /nfs/dbraw/zinc/85/49/71/496854971.db2.gz FTUOYEKWUCWHQW-UHFFFAOYSA-N -1 3 356.769 3.149 20 0 FGADHM CCc1nnc(NC(=O)c2ccc(C(=O)c3cccc([O-])c3)cc2)s1 ZINC000188645459 496863156 /nfs/dbraw/zinc/86/31/56/496863156.db2.gz JOKUVHHROMQSHZ-UHFFFAOYSA-N -1 3 353.403 3.289 20 0 FGADHM Cn1c2ccccc2nc1[C@H]([N-]S(=O)(=O)c1ccco1)c1ccccc1 ZINC000188645061 496863325 /nfs/dbraw/zinc/86/33/25/496863325.db2.gz OQQBFRIHLXOIJO-GOSISDBHSA-N -1 3 367.430 3.234 20 0 FGADHM CCOc1cc(-c2noc(-c3cnn(C4CCOCC4)c3C)n2)ccc1[O-] ZINC000277777615 496882831 /nfs/dbraw/zinc/88/28/31/496882831.db2.gz CWJQIOLGQVQSTB-UHFFFAOYSA-N -1 3 370.409 3.364 20 0 FGADHM Cc1cc(F)c(Br)cc1S(=O)(=O)[N-]c1ccncc1F ZINC000191781649 496886849 /nfs/dbraw/zinc/88/68/49/496886849.db2.gz UNHAMYSXICPKOH-UHFFFAOYSA-N -1 3 363.183 3.232 20 0 FGADHM CCOc1ccc(S(=O)(=O)[N-]c2cc(OC)c(OC)cc2F)cc1 ZINC000264434229 496899380 /nfs/dbraw/zinc/89/93/80/496899380.db2.gz KEZTWJGWSZFRBF-UHFFFAOYSA-N -1 3 355.387 3.042 20 0 FGADHM O=C(C[N-]S(=O)(=O)CCc1cccs1)Nc1cccc2ccccc21 ZINC000195364869 496901988 /nfs/dbraw/zinc/90/19/88/496901988.db2.gz RLCMWPFSVPONPY-UHFFFAOYSA-N -1 3 374.487 3.002 20 0 FGADHM COc1cc(C(=O)Nc2cc(-n3cccn3)ccc2C)cc(OC)c1[O-] ZINC000191838615 496906895 /nfs/dbraw/zinc/90/68/95/496906895.db2.gz BKDQLIPDHSPCJN-UHFFFAOYSA-N -1 3 353.378 3.156 20 0 FGADHM Cc1c(CN2CCSCC2)cccc1NC(=O)c1ccc(O)cc1[O-] ZINC000195380519 496907849 /nfs/dbraw/zinc/90/78/49/496907849.db2.gz TYHAVFSKQMDIHD-UHFFFAOYSA-N -1 3 358.463 3.207 20 0 FGADHM CCc1ccc(C(=O)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)c([O-])c1 ZINC000188786239 496909279 /nfs/dbraw/zinc/90/92/79/496909279.db2.gz LQFPAYFHOTZRSR-UHFFFAOYSA-N -1 3 368.481 3.139 20 0 FGADHM Cc1noc(C)c1CC[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000264503696 496915132 /nfs/dbraw/zinc/91/51/32/496915132.db2.gz ITCHGGMLQJKXQD-UHFFFAOYSA-N -1 3 363.266 3.428 20 0 FGADHM CC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000578152955 505873363 /nfs/dbraw/zinc/87/33/63/505873363.db2.gz MDAQQOQBALLPGT-CYBMUJFWSA-N -1 3 358.385 3.400 20 0 FGADHM CCC[C@]1(C(=O)OCC)CCCN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000277877469 496918160 /nfs/dbraw/zinc/91/81/60/496918160.db2.gz DXDIATHXSIFNHE-HXUWFJFHSA-N -1 3 356.422 3.278 20 0 FGADHM CC(C)OCCc1nc(Cc2nc(=O)c3c(C4CC4)csc3[n-]2)no1 ZINC000273845490 496930597 /nfs/dbraw/zinc/93/05/97/496930597.db2.gz ZSGUMNLIKKHQDD-UHFFFAOYSA-N -1 3 360.439 3.216 20 0 FGADHM CC(C)CC(=O)Nc1ccc(-n2c([O-])c(CC(F)(F)F)[nH]c2=O)cc1 ZINC000277909225 496931869 /nfs/dbraw/zinc/93/18/69/496931869.db2.gz BYZUFHZBPCFWPC-GFCCVEGCSA-N -1 3 357.332 3.048 20 0 FGADHM CCCCc1nc(C(=O)OCC)c(NC(=O)[C@@H]2CCO[C@@H](CCC)C2)[n-]1 ZINC000191964059 496946296 /nfs/dbraw/zinc/94/62/96/496946296.db2.gz RMSWRGGSSSDMAR-KGLIPLIRSA-N -1 3 365.474 3.463 20 0 FGADHM CCCCc1nc(NC(=O)[C@@H]2CCO[C@@H](CCC)C2)c(C(=O)OCC)[n-]1 ZINC000191964059 496946299 /nfs/dbraw/zinc/94/62/99/496946299.db2.gz RMSWRGGSSSDMAR-KGLIPLIRSA-N -1 3 365.474 3.463 20 0 FGADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)[C@H]2[C@@H]3CCC[C@@H]32)CC1 ZINC000248343749 496981902 /nfs/dbraw/zinc/98/19/02/496981902.db2.gz KRLXATWMRPLMEH-HALDLXJZSA-N -1 3 362.857 3.269 20 0 FGADHM C[C@@H](O)[C@@](C)(CNC(=O)Cc1ccc([O-])cc1Cl)Cc1ccccc1 ZINC000192066014 496983187 /nfs/dbraw/zinc/98/31/87/496983187.db2.gz ROPBBROFFCMMDN-JLTOFOAXSA-N -1 3 361.869 3.334 20 0 FGADHM CC[C@](C)(CNCc1c(Br)cc(OC)cc1OC)C(=O)[O-] ZINC000278064625 496990982 /nfs/dbraw/zinc/99/09/82/496990982.db2.gz VEDZQCGFESPFLY-OAHLLOKOSA-N -1 3 360.248 3.057 20 0 FGADHM CC(C)OCCOCc1cccc(-n2c([O-])c(CC(F)(F)F)[nH]c2=O)c1 ZINC000278069891 496993166 /nfs/dbraw/zinc/99/31/66/496993166.db2.gz JKNHXDIHHYNDRM-CQSZACIVSA-N -1 3 374.359 3.005 20 0 FGADHM O=c1[nH]c(CC(F)(F)F)c([O-])n1-c1ccc2c(c1)OC1(CCCCC1)O2 ZINC000278112926 497009452 /nfs/dbraw/zinc/00/94/52/497009452.db2.gz PVZGYDYZMQFRPB-NSHDSACASA-N -1 3 370.327 3.495 20 0 FGADHM CCOC(=O)N1CCC[C@H](c2nc(-c3ccc([O-])c(OCC)c3)no2)C1 ZINC000278117608 497010364 /nfs/dbraw/zinc/01/03/64/497010364.db2.gz QTJBARKFTYDQFB-ZDUSSCGKSA-N -1 3 361.398 3.177 20 0 FGADHM CCCC(=O)N1CCC[C@@H](c2nc(-c3ccc([O-])c(OCC)c3)no2)C1 ZINC000278119698 497011584 /nfs/dbraw/zinc/01/15/84/497011584.db2.gz QXNPCZVYPQEWCQ-CQSZACIVSA-N -1 3 359.426 3.347 20 0 FGADHM COc1cc(C(=O)N(Cc2ccccc2)C[C@@H]2CCCO2)cc(OC)c1[O-] ZINC000269925720 497026387 /nfs/dbraw/zinc/02/63/87/497026387.db2.gz JXWLERSQANCRCC-KRWDZBQOSA-N -1 3 371.433 3.231 20 0 FGADHM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1CC(=O)Nc1cc(Cl)ccc1F ZINC000248510345 497027946 /nfs/dbraw/zinc/02/79/46/497027946.db2.gz ADNBEFTYPWXUNQ-LKTVYLICSA-N -1 3 354.809 3.135 20 0 FGADHM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1cn(-c2ccc(Cl)cc2)nn1 ZINC000248535479 497033343 /nfs/dbraw/zinc/03/33/43/497033343.db2.gz KFMSAWUIDYTXDQ-JLZZUVOBSA-N -1 3 360.845 3.138 20 0 FGADHM Cc1cc(-n2c([O-])c(CC(F)(F)F)[nH]c2=O)ccc1OCC(F)(F)F ZINC000278205868 497038498 /nfs/dbraw/zinc/03/84/98/497038498.db2.gz QSHDIENQCJVFCA-SECBINFHSA-N -1 3 370.249 3.313 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](c2ccccc2)[C@@H]2CCCO2)c1 ZINC000270010766 497040587 /nfs/dbraw/zinc/04/05/87/497040587.db2.gz ADJOMFFFRPPYFR-OALUTQOASA-N -1 3 354.406 3.001 20 0 FGADHM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1nc(CCc2ccccc2)no1 ZINC000248569713 497043198 /nfs/dbraw/zinc/04/31/98/497043198.db2.gz RIPMIZAQYRUIPW-ULQDDVLXSA-N -1 3 355.438 3.073 20 0 FGADHM C[C@]1(C[N-]S(=O)(=O)c2ccc(Br)c(F)c2)CCCS1 ZINC000229725451 497100646 /nfs/dbraw/zinc/10/06/46/497100646.db2.gz VXDGMWATYXDEKC-GFCCVEGCSA-N -1 3 368.293 3.152 20 0 FGADHM CCOc1cc(CN2CC[C@@H](C)[C@@H](OC)C2)cc(Br)c1[O-] ZINC000230361465 497104602 /nfs/dbraw/zinc/10/46/02/497104602.db2.gz MXTUVIRZSAJZIU-ABAIWWIYSA-N -1 3 358.276 3.410 20 0 FGADHM O=S(=O)([N-][C@@H]1C[C@H]1c1ccccc1)c1ccc(Br)c(F)c1 ZINC000230603752 497106022 /nfs/dbraw/zinc/10/60/22/497106022.db2.gz VDXQNNCMYNBBEP-SWLSCSKDSA-N -1 3 370.243 3.423 20 0 FGADHM COc1ccc(Br)cc1CN1CC[C@@](C(=O)[O-])(C(C)C)C1 ZINC000234815057 497113179 /nfs/dbraw/zinc/11/31/79/497113179.db2.gz IHNWUSBUFOYKQJ-INIZCTEOSA-N -1 3 356.260 3.390 20 0 FGADHM CC1(C)CN(c2ccc(Cl)cc2)CCN1C(=O)c1ccc2n[n-]nc2c1 ZINC000578201075 505885357 /nfs/dbraw/zinc/88/53/57/505885357.db2.gz ZLRGZDABEVSDET-UHFFFAOYSA-N -1 3 369.856 3.352 20 0 FGADHM C[C@H]1CCCN(Cc2cc(Br)cc3c2OCC3)[C@@H]1C(=O)[O-] ZINC000235711286 497115141 /nfs/dbraw/zinc/11/51/41/497115141.db2.gz AMMWFJVWMZVPON-HZMBPMFUSA-N -1 3 354.244 3.069 20 0 FGADHM Cc1cc([C@@H](NC(=O)CCc2c(C)nc(C)[n-]c2=O)C2CC2)ccc1F ZINC000270419981 497123817 /nfs/dbraw/zinc/12/38/17/497123817.db2.gz OLZQWEDERULOFC-IBGZPJMESA-N -1 3 357.429 3.447 20 0 FGADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCN([C@@H](C)c3ccc(F)cc3F)CC2)n1 ZINC000192573134 497152993 /nfs/dbraw/zinc/15/29/93/497152993.db2.gz MCRDLCSTABIZNN-UONOGXRCSA-N -1 3 362.424 3.209 20 0 FGADHM C[C@H]1CCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])CC[S@@]1=O ZINC000572096457 505888191 /nfs/dbraw/zinc/88/81/91/505888191.db2.gz IGWFUQALYPTLGB-QMTYFTJSSA-N -1 3 371.502 3.161 20 0 FGADHM CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)c2cc([O-])ccc2C(F)(F)F)C1 ZINC000249087097 497162654 /nfs/dbraw/zinc/16/26/54/497162654.db2.gz JHQIZDDCFLGFEB-SPZFISFDSA-N -1 3 363.401 3.221 20 0 FGADHM COc1cc(CN[C@H](C)c2ccncc2OC)cc(Br)c1[O-] ZINC000189565032 497165471 /nfs/dbraw/zinc/16/54/71/497165471.db2.gz OLLOBUGQWHWSIK-SNVBAGLBSA-N -1 3 367.243 3.418 20 0 FGADHM O=C(N[C@@H]1C[C@H]2OCCC[C@@H]12)c1cc(OCc2ccccc2)ccc1[O-] ZINC000249248749 497183520 /nfs/dbraw/zinc/18/35/20/497183520.db2.gz XPIDKXWXQSFNBE-ILZDJORESA-N -1 3 353.418 3.269 20 0 FGADHM O=S(=O)([N-][C@@H]1CCC[C@H](F)C1)c1ccc(F)c(Br)c1 ZINC000581009315 505889999 /nfs/dbraw/zinc/88/99/99/505889999.db2.gz UDWLIONOTVQHSY-DTWKUNHWSA-N -1 3 354.216 3.147 20 0 FGADHM COc1c(C)cc(S(=O)(=O)[N-]c2cccc(NC(=O)C3CC3)c2)cc1C ZINC000192713700 497192212 /nfs/dbraw/zinc/19/22/12/497192212.db2.gz HTAWBNCYCTUJKK-UHFFFAOYSA-N -1 3 374.462 3.461 20 0 FGADHM COc1cc(C(=O)N2CCC(OCCC(C)C)CC2)cc(OC)c1[O-] ZINC000270743489 497193593 /nfs/dbraw/zinc/19/35/93/497193593.db2.gz SKBQUXZGKUSGQD-UHFFFAOYSA-N -1 3 351.443 3.077 20 0 FGADHM O=C(NCc1ccccc1Br)c1c[n-]c2ccccc2c1=O ZINC000192747231 497202056 /nfs/dbraw/zinc/20/20/56/497202056.db2.gz STLYVMUTQVWSTM-UHFFFAOYSA-N -1 3 357.207 3.221 20 0 FGADHM Cc1nnc([N-]C(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)s1 ZINC000192755420 497204989 /nfs/dbraw/zinc/20/49/89/497204989.db2.gz YLXMRIIIEYZBNB-UHFFFAOYSA-N -1 3 371.319 3.442 20 0 FGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@@H](C)c1cc(C)oc1C ZINC000189673526 497206390 /nfs/dbraw/zinc/20/63/90/497206390.db2.gz PYOGHHDMXJCHKV-JTQLQIEISA-N -1 3 357.453 3.092 20 0 FGADHM Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)N[C@H](C)c1nc(C)cc(=O)[n-]1 ZINC000192778374 497211782 /nfs/dbraw/zinc/21/17/82/497211782.db2.gz HDGQPBVZRVYCCC-GXSJLCMTSA-N -1 3 357.380 3.278 20 0 FGADHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1C[C@H](C)c2ccccc21 ZINC000192852855 497230323 /nfs/dbraw/zinc/23/03/23/497230323.db2.gz BOMLXKOPYPDMNP-NSHDSACASA-N -1 3 372.446 3.322 20 0 FGADHM CC(C)c1ccc(Cn2nccc2NC([O-])=NOC[C@H]2CCOC2)cc1 ZINC000189775949 497240496 /nfs/dbraw/zinc/24/04/96/497240496.db2.gz AABZASQRLRTBDN-INIZCTEOSA-N -1 3 358.442 3.144 20 0 FGADHM CC(C)c1ccc(Cn2nccc2NC(=O)[N-]OC[C@H]2CCOC2)cc1 ZINC000189775949 497240500 /nfs/dbraw/zinc/24/05/00/497240500.db2.gz AABZASQRLRTBDN-INIZCTEOSA-N -1 3 358.442 3.144 20 0 FGADHM COc1cc(C(=O)N(C)CCCOc2ccc(F)cc2)cc(OC)c1[O-] ZINC000271040271 497250670 /nfs/dbraw/zinc/25/06/70/497250670.db2.gz QHDSWSBZYREYNH-UHFFFAOYSA-N -1 3 363.385 3.090 20 0 FGADHM CC(C)c1nnc([C@H]2CN(C(=O)c3ccc(C(C)C)cc3[O-])CCO2)o1 ZINC000275230190 497260894 /nfs/dbraw/zinc/26/08/94/497260894.db2.gz AOVJHJKZGWUMNX-MRXNPFEDSA-N -1 3 359.426 3.236 20 0 FGADHM CCN(C[C@H](O)C(F)(F)F)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000189863397 497271565 /nfs/dbraw/zinc/27/15/65/497271565.db2.gz XLFXCBLCBGJJPS-KRWDZBQOSA-N -1 3 367.367 3.368 20 0 FGADHM CC(C)C1(C)CCN(C(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)CC1 ZINC000275294062 497277799 /nfs/dbraw/zinc/27/77/99/497277799.db2.gz VRGUZBOENFOXNT-UHFFFAOYSA-N -1 3 356.463 3.096 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)C1CCCCC1)c1nc(-c2cccc(F)c2)no1 ZINC000266250380 497288548 /nfs/dbraw/zinc/28/85/48/497288548.db2.gz BNCCLTLDGURPQS-LLVKDONJSA-N -1 3 353.419 3.189 20 0 FGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)CC2(C)CCCC2)cc1OC ZINC000569285691 505896936 /nfs/dbraw/zinc/89/69/36/505896936.db2.gz XAHYXMCILQGTKS-UHFFFAOYSA-N -1 3 354.472 3.366 20 0 FGADHM O=C(Nc1ccccc1[O-])C1CCN(C(=O)C2(c3ccccc3)CC2)CC1 ZINC000193094881 497301360 /nfs/dbraw/zinc/30/13/60/497301360.db2.gz XIMOEDDCOKHRRG-UHFFFAOYSA-N -1 3 364.445 3.301 20 0 FGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@H]3CCO[C@@H](C)C3)s2)cs1 ZINC000271254111 497303670 /nfs/dbraw/zinc/30/36/70/497303670.db2.gz LEUKSTMSHJVADM-ONGXEEELSA-N -1 3 358.510 3.026 20 0 FGADHM CCc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3cccc(C)n3)C2)c([O-])c1 ZINC000189964227 497308023 /nfs/dbraw/zinc/30/80/23/497308023.db2.gz NYGHRTYNHYNFKO-INIZCTEOSA-N -1 3 367.449 3.149 20 0 FGADHM Cc1ccc(-c2cc(C(=O)Nc3cccc(N4CCCC4=O)c3)n[n-]2)o1 ZINC000193139817 497311910 /nfs/dbraw/zinc/31/19/10/497311910.db2.gz KAGRHFCOWQDPBP-UHFFFAOYSA-N -1 3 350.378 3.357 20 0 FGADHM Cc1ccc(-c2cc(C(=O)Nc3cccc(N4CCCC4=O)c3)[n-]n2)o1 ZINC000193139817 497311912 /nfs/dbraw/zinc/31/19/12/497311912.db2.gz KAGRHFCOWQDPBP-UHFFFAOYSA-N -1 3 350.378 3.357 20 0 FGADHM COC(=O)c1sc2[n-]c(CN3CC[C@H](C)C[C@@H](C)C3)nc(=O)c2c1C ZINC000253555030 497341053 /nfs/dbraw/zinc/34/10/53/497341053.db2.gz DQHAYHGMXQXXAK-WDEREUQCSA-N -1 3 363.483 3.360 20 0 FGADHM CO[C@@H](C)CS(=O)(=O)[N-]c1ccc(Sc2nc(C)cs2)cc1 ZINC000193315564 497347706 /nfs/dbraw/zinc/34/77/06/497347706.db2.gz IOCIVKIFLYINAQ-NSHDSACASA-N -1 3 358.510 3.379 20 0 FGADHM Cc1nc(C)c(CCC(=O)N2C[C@@H](C)C[C@H]2c2ccccc2F)c(=O)[n-]1 ZINC000266492613 497356284 /nfs/dbraw/zinc/35/62/84/497356284.db2.gz QRORSAILTCMAQV-SGTLLEGYSA-N -1 3 357.429 3.480 20 0 FGADHM CC[C@@H](c1ccccc1)N(CC)C(=O)C(=O)[N-]c1sccc1C(=O)OC ZINC000266516203 497362322 /nfs/dbraw/zinc/36/23/22/497362322.db2.gz GYKRMRJDYJCAOD-HNNXBMFYSA-N -1 3 374.462 3.473 20 0 FGADHM C[C@@H]1CSCCN(C(=O)NCc2ccc([O-])c(Br)c2)C1 ZINC000190135654 497370638 /nfs/dbraw/zinc/37/06/38/497370638.db2.gz HFGKCHIBVUSJMC-JTQLQIEISA-N -1 3 359.289 3.049 20 0 FGADHM CSc1nnc(C[N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)s1 ZINC000275580487 497372076 /nfs/dbraw/zinc/37/20/76/497372076.db2.gz HVUFRFHARXCHCX-UHFFFAOYSA-N -1 3 357.526 3.036 20 0 FGADHM CCC[C@@H](CNC(=O)c1c[n-]c2c(C)cc(F)cc2c1=O)C(=O)OCC ZINC000279280609 497392692 /nfs/dbraw/zinc/39/26/92/497392692.db2.gz WOVONGZTTVDTMP-LBPRGKRZSA-N -1 3 362.401 3.097 20 0 FGADHM COC(=O)c1cnc(SCc2ccc(I)cc2)[n-]1 ZINC000193538386 497406852 /nfs/dbraw/zinc/40/68/52/497406852.db2.gz XRMANMMYDKHTRH-UHFFFAOYSA-N -1 3 374.203 3.093 20 0 FGADHM COC(=O)c1cnc(SCC(=O)N[C@@H](c2cccs2)C(C)(C)C)[n-]1 ZINC000193544013 497408989 /nfs/dbraw/zinc/40/89/89/497408989.db2.gz KTDFUTKSSUGEQL-ZDUSSCGKSA-N -1 3 367.496 3.254 20 0 FGADHM CCc1ccc(C(=O)N2CCC(NC(=O)NC3CCCCC3)CC2)c([O-])c1 ZINC000190271421 497420938 /nfs/dbraw/zinc/42/09/38/497420938.db2.gz PNNMGTZRTMLYOH-UHFFFAOYSA-N -1 3 373.497 3.191 20 0 FGADHM COc1cc(C)cc(C(=O)Nc2ccc3nnc(C4CCC4)n3c2)c1[O-] ZINC000190294787 497426667 /nfs/dbraw/zinc/42/66/67/497426667.db2.gz LKFXSHQLTNEQTC-UHFFFAOYSA-N -1 3 352.394 3.272 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N(C)Cc2nc(C(F)(F)F)cs2)c1 ZINC000266863783 497433612 /nfs/dbraw/zinc/43/36/12/497433612.db2.gz XSIPCDSIKMICSL-UHFFFAOYSA-N -1 3 373.356 3.098 20 0 FGADHM Cc1cc(S(=O)(=O)[N-][C@@H]2[C@H]3CCO[C@H]3C23CCC3)c(Cl)cc1F ZINC000245546101 497449263 /nfs/dbraw/zinc/44/92/63/497449263.db2.gz MZWAJXCQHDKYFT-VCTAVGKDSA-N -1 3 359.850 3.023 20 0 FGADHM COc1cc(C(=O)N[C@@H](C)[C@@H](OC)c2ccccc2F)cc(OC)c1[O-] ZINC000271794128 497451898 /nfs/dbraw/zinc/45/18/98/497451898.db2.gz HNPZECDWWNZTIT-BBATYDOGSA-N -1 3 363.385 3.055 20 0 FGADHM CC1(C)[C@@H]2OCCC[C@H]2[C@@]1(N)C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000261854536 497463038 /nfs/dbraw/zinc/46/30/38/497463038.db2.gz JTFLAMUBGWXYOH-HDIHMHJESA-N -1 3 359.253 3.170 20 0 FGADHM O=C([N-]c1ncn(C2CCCCC2)n1)c1ncccc1Br ZINC000193799746 497486895 /nfs/dbraw/zinc/48/68/95/497486895.db2.gz KOWKWBAWYCPYMW-UHFFFAOYSA-N -1 3 350.220 3.193 20 0 FGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)CCc1ncc(C(C)(C)C)o1 ZINC000193816257 497491766 /nfs/dbraw/zinc/49/17/66/497491766.db2.gz DIJMOLQAWVLVQT-UHFFFAOYSA-N -1 3 363.414 3.271 20 0 FGADHM CC[C@H](C)Oc1cc(CNC(=O)c2cc(=O)c3ccccc3[n-]2)ccn1 ZINC000271949115 497495430 /nfs/dbraw/zinc/49/54/30/497495430.db2.gz BAHPJXFVSPRFLQ-ZDUSSCGKSA-N -1 3 351.406 3.443 20 0 FGADHM C[C@H](C(=O)Nc1cccc2ccccc21)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000262077829 497505513 /nfs/dbraw/zinc/50/55/13/497505513.db2.gz DUUOFLDDIYTXFQ-IVZHQMGZSA-N -1 3 352.434 3.354 20 0 FGADHM CCCCOc1ccc(C(=O)N[C@H](C)Cc2c(C)nn(C)c2C)c([O-])c1 ZINC000190499303 497505813 /nfs/dbraw/zinc/50/58/13/497505813.db2.gz KCFVCPIAIIXJIA-CYBMUJFWSA-N -1 3 359.470 3.282 20 0 FGADHM [O-]C(=NO[C@H]1CCCCO1)Nc1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000276157031 497511397 /nfs/dbraw/zinc/51/13/97/497511397.db2.gz FVMHPZRKZUZGTJ-WBMJQRKESA-N -1 3 370.833 3.335 20 0 FGADHM O=C([N-]O[C@H]1CCCCO1)Nc1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000276157031 497511400 /nfs/dbraw/zinc/51/14/00/497511400.db2.gz FVMHPZRKZUZGTJ-WBMJQRKESA-N -1 3 370.833 3.335 20 0 FGADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000276157029 497511417 /nfs/dbraw/zinc/51/14/17/497511417.db2.gz FVMHPZRKZUZGTJ-MLGOLLRUSA-N -1 3 370.833 3.335 20 0 FGADHM O=C([N-]O[C@@H]1CCCCO1)Nc1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000276157029 497511422 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O=C(Cc1cccc(Cl)c1Cl)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000194066172 497563144 /nfs/dbraw/zinc/56/31/44/497563144.db2.gz FWBLAQHJJLQGCA-UHFFFAOYSA-N -1 3 362.220 3.032 20 0 FGADHM O=C(Cc1cccc(Cl)c1Cl)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000194066172 497563149 /nfs/dbraw/zinc/56/31/49/497563149.db2.gz FWBLAQHJJLQGCA-UHFFFAOYSA-N -1 3 362.220 3.032 20 0 FGADHM CC(=O)NCCc1ccc(S(=O)(=O)[N-]CC[C@H](C)CC(C)(C)C)s1 ZINC000190680007 497569901 /nfs/dbraw/zinc/56/99/01/497569901.db2.gz MIUACJVYZDUAEA-ZDUSSCGKSA-N -1 3 374.572 3.167 20 0 FGADHM CCN1CC[C@H](NC(=O)c2cncc([O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246088024 497617104 /nfs/dbraw/zinc/61/71/04/497617104.db2.gz NLWHMMIVWSJLEE-DLBZAZTESA-N -1 3 363.820 3.145 20 0 FGADHM COC(=O)CN(Cc1nc(=O)c2c(-c3ccccc3)csc2[n-]1)C1CC1 ZINC000267796549 497619191 /nfs/dbraw/zinc/61/91/91/497619191.db2.gz KEUVZAMZLJFMSA-UHFFFAOYSA-N -1 3 369.446 3.201 20 0 FGADHM CCN=c1[n-]c(C(=O)N(CCc2ccccc2)Cc2ccncc2)cs1 ZINC000578337726 505918197 /nfs/dbraw/zinc/91/81/97/505918197.db2.gz 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C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000331217983 498276848 /nfs/dbraw/zinc/27/68/48/498276848.db2.gz WUJXUASLKDPOHT-VCBZYWHSSA-N -1 3 372.490 3.465 20 0 FGADHM O=C(c1ccccc1[O-])N1CCCC[C@@H]1c1nnc(CC(F)(F)F)o1 ZINC000289757722 498279461 /nfs/dbraw/zinc/27/94/61/498279461.db2.gz PDGGVWSUOLRNDJ-LLVKDONJSA-N -1 3 355.316 3.247 20 0 FGADHM COC(=O)[C@H]1C[C@H](OC)CN1C(=O)c1cc(C(C)C)cc(C(C)C)c1[O-] ZINC000331241097 498282268 /nfs/dbraw/zinc/28/22/68/498282268.db2.gz PTIRQBBTUHYSHH-WMLDXEAASA-N -1 3 363.454 3.042 20 0 FGADHM CC(C)c1ccc(C(=O)N2CCN(C(=O)c3ccsc3)CC2)c([O-])c1 ZINC000331243896 498283381 /nfs/dbraw/zinc/28/33/81/498283381.db2.gz SBPCUFDZTLHNMV-UHFFFAOYSA-N -1 3 358.463 3.175 20 0 FGADHM O=C(c1cccc([O-])c1)N1CCC[C@@H]1c1nc(Cc2ccc(F)cc2)no1 ZINC000360642633 498292479 /nfs/dbraw/zinc/29/24/79/498292479.db2.gz PXTFBGXPOICZAL-QGZVFWFLSA-N -1 3 367.380 3.482 20 0 FGADHM CCCN(C(=O)Cc1csc(NC(=O)c2cccc([O-])c2)n1)C(C)C ZINC000572615641 506012916 /nfs/dbraw/zinc/01/29/16/506012916.db2.gz AQAYHXGMOJLHSI-UHFFFAOYSA-N -1 3 361.467 3.291 20 0 FGADHM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)c2nccn21 ZINC000569781735 506015076 /nfs/dbraw/zinc/01/50/76/506015076.db2.gz IBRDQQGORWBWDH-GZMMTYOYSA-N -1 3 363.336 3.025 20 0 FGADHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)C3C[C@H]4CCC[C@@H](C3)C4=O)c2)n1 ZINC000360899653 498320876 /nfs/dbraw/zinc/32/08/76/498320876.db2.gz VVVJTVUIYVKHQE-MZBDJJRSSA-N -1 3 365.433 3.492 20 0 FGADHM COCc1cc(NC(=O)Cc2ccc([O-])cc2Cl)cc(C(=O)OC)c1 ZINC000572628638 506015457 /nfs/dbraw/zinc/01/54/57/506015457.db2.gz NQSRUONEINNHRS-UHFFFAOYSA-N -1 3 363.797 3.160 20 0 FGADHM O=C(c1cccc([O-])c1)N1CCCC[C@H]1c1nnc(C2CCOCC2)o1 ZINC000365173313 498334643 /nfs/dbraw/zinc/33/46/43/498334643.db2.gz ZGDMMZUOYGWXAL-INIZCTEOSA-N -1 3 357.410 3.037 20 0 FGADHM Fc1ccccc1-c1nc(Sc2ccc3nnc(C(F)F)n3n2)n[n-]1 ZINC000301938928 498336704 /nfs/dbraw/zinc/33/67/04/498336704.db2.gz XPDYSECROMHPBU-UHFFFAOYSA-N -1 3 363.328 3.137 20 0 FGADHM c1cnn(-c2cccc(-c3noc(-c4n[n-]nc4-c4ccccc4)n3)c2)c1 ZINC000572644021 506019148 /nfs/dbraw/zinc/01/91/48/506019148.db2.gz ZPFVNTAYYAHSPQ-UHFFFAOYSA-N -1 3 355.361 3.374 20 0 FGADHM COc1cc(C(=O)NCCCc2c[nH]c3ccc(F)cc23)cc(OC)c1[O-] ZINC000281996223 498348710 /nfs/dbraw/zinc/34/87/10/498348710.db2.gz BPJWFWQBOVOXDI-UHFFFAOYSA-N -1 3 372.396 3.392 20 0 FGADHM Cc1nc(C)c(CCC(=O)N2CCC[C@H]2c2ccc(F)c(F)c2)c(=O)[n-]1 ZINC000365230020 498362924 /nfs/dbraw/zinc/36/29/24/498362924.db2.gz JXPOCORESYUTIJ-KRWDZBQOSA-N -1 3 361.392 3.374 20 0 FGADHM O=C1C[C@@H](c2noc(-c3cc([O-])ccc3C(F)(F)F)n2)CN1CC1CC1 ZINC000289974366 498377519 /nfs/dbraw/zinc/37/75/19/498377519.db2.gz CWLWYVWTIGSFHH-SNVBAGLBSA-N -1 3 367.327 3.187 20 0 FGADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1ccc(-c2ccccc2)c(C)n1 ZINC000297257932 498380541 /nfs/dbraw/zinc/38/05/41/498380541.db2.gz CJCVASRYJRWYSA-UHFFFAOYSA-N -1 3 357.410 3.452 20 0 FGADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1ccc(-c2ccccc2)c(C)n1 ZINC000297257932 498380548 /nfs/dbraw/zinc/38/05/48/498380548.db2.gz CJCVASRYJRWYSA-UHFFFAOYSA-N -1 3 357.410 3.452 20 0 FGADHM O=C(NCc1ccc(F)cc1C(F)(F)F)c1cc(=O)[n-]c(C2CC2)n1 ZINC000572669595 506025229 /nfs/dbraw/zinc/02/52/29/506025229.db2.gz BDXGIZPWXZHAPJ-UHFFFAOYSA-N -1 3 355.291 3.148 20 0 FGADHM CCCCS(=O)(=O)Nc1ccc(NC([O-])=NOC/C=C/Cl)cc1 ZINC000290034893 498402491 /nfs/dbraw/zinc/40/24/91/498402491.db2.gz SCBWFGWVIOMWBL-RUDMXATFSA-N -1 3 361.851 3.034 20 0 FGADHM CCCCS(=O)(=O)Nc1ccc(NC(=O)[N-]OC/C=C/Cl)cc1 ZINC000290034893 498402497 /nfs/dbraw/zinc/40/24/97/498402497.db2.gz SCBWFGWVIOMWBL-RUDMXATFSA-N -1 3 361.851 3.034 20 0 FGADHM CC(=O)N(CCc1noc(-c2cc([O-])ccc2C(F)(F)F)n1)C(C)C ZINC000290035039 498402599 /nfs/dbraw/zinc/40/25/99/498402599.db2.gz IMMMCRWURXMTIC-UHFFFAOYSA-N -1 3 357.332 3.260 20 0 FGADHM COCc1nc(C[N-]S(=O)(=O)c2ccc(Cl)cc2Cl)cs1 ZINC000290087483 498423583 /nfs/dbraw/zinc/42/35/83/498423583.db2.gz HLHSGHMDVHCDOF-UHFFFAOYSA-N -1 3 367.279 3.075 20 0 FGADHM O=S(=O)([N-][C@H]1CCCOCC1)c1cc(Cl)ccc1C(F)(F)F ZINC000286530280 498426927 /nfs/dbraw/zinc/42/69/27/498426927.db2.gz SZDZDQPWCGMQFH-JTQLQIEISA-N -1 3 357.781 3.206 20 0 FGADHM Cc1ccc(C(=O)Nc2cc(C(=O)N3CCSCC3)ccc2C)c([O-])c1 ZINC000331760555 498445531 /nfs/dbraw/zinc/44/55/31/498445531.db2.gz BKPCSMKHXNYBNH-UHFFFAOYSA-N -1 3 370.474 3.450 20 0 FGADHM O=C(c1ccc(O)cc1[O-])N1CCC(c2nc3c(cccc3F)[nH]2)CC1 ZINC000365399964 498447849 /nfs/dbraw/zinc/44/78/49/498447849.db2.gz WWQPSDDJPGWOIU-UHFFFAOYSA-N -1 3 355.369 3.133 20 0 FGADHM Cc1onc(-c2ccccc2C)c1C(=O)[N-]c1ncn(-c2cccnc2)n1 ZINC000365429396 498463386 /nfs/dbraw/zinc/46/33/86/498463386.db2.gz VWVMUUWVADDIPA-UHFFFAOYSA-N -1 3 360.377 3.186 20 0 FGADHM CC(=O)N1Cc2ccc([N-]S(=O)(=O)c3c(C)cc(F)cc3C)cc2C1 ZINC000365457735 498477415 /nfs/dbraw/zinc/47/74/15/498477415.db2.gz YDNGWTAYKVRQMK-UHFFFAOYSA-N -1 3 362.426 3.105 20 0 FGADHM COC[C@@H](NC(=O)c1cc(Oc2ccccc2)ccc1[O-])[C@H]1CCCO1 ZINC000569897939 506041847 /nfs/dbraw/zinc/04/18/47/506041847.db2.gz OVMFOERNIFPBCJ-IEBWSBKVSA-N -1 3 357.406 3.108 20 0 FGADHM CCC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]Cc2cc(C)ccn2)c1 ZINC000293781615 498487576 /nfs/dbraw/zinc/48/75/76/498487576.db2.gz LUYRMRMDWKQFPH-UHFFFAOYSA-N -1 3 352.843 3.115 20 0 FGADHM COc1cc([C@@H]2CCCN2C(=O)c2ccccc2[O-])cc(OC)c1OC ZINC000362337712 498499971 /nfs/dbraw/zinc/49/99/71/498499971.db2.gz XJGCYDILBWUWAO-HNNXBMFYSA-N -1 3 357.406 3.395 20 0 FGADHM CSc1ccc(C(=O)N2CCCC[C@H]2Cn2nc(C)nc2C)c([O-])c1 ZINC000365520288 498509760 /nfs/dbraw/zinc/50/97/60/498509760.db2.gz GDTGRQURHPVDLC-AWEZNQCLSA-N -1 3 360.483 3.017 20 0 FGADHM Cn1cnc2cc([N-]S(=O)(=O)Cc3cc(Cl)ccc3F)ccc21 ZINC000581705925 506048515 /nfs/dbraw/zinc/04/85/15/506048515.db2.gz PFFYUWLNPAGHDV-UHFFFAOYSA-N -1 3 353.806 3.308 20 0 FGADHM C[C@@H](CC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1)c1ccccc1 ZINC000290392168 498535287 /nfs/dbraw/zinc/53/52/87/498535287.db2.gz PAOTYMKGFXAXAV-KBPBESRZSA-N -1 3 356.388 3.097 20 0 FGADHM Cc1ccc([C@@H]2C[C@H]2C(=O)Nc2cc(C)ccc2[N-]S(C)(=O)=O)s1 ZINC000365570543 498536982 /nfs/dbraw/zinc/53/69/82/498536982.db2.gz WOVLGAAHPSFFQY-CHWSQXEVSA-N -1 3 364.492 3.479 20 0 FGADHM Cc1ccc2[n-]cc(C(=O)N3CC4(CCOCC4)[C@H]3C3CC3)c(=O)c2c1 ZINC000293972506 498548590 /nfs/dbraw/zinc/54/85/90/498548590.db2.gz BOMNFWQMYDLISU-LJQANCHMSA-N -1 3 352.434 3.280 20 0 FGADHM COc1cc(C=Cc2cc(=O)[n-]c(-c3ccncc3)n2)cc(Cl)c1O ZINC000572791182 506052756 /nfs/dbraw/zinc/05/27/56/506052756.db2.gz LTUGILNKJGMICC-IHWYPQMZSA-N -1 3 355.781 3.370 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1ccc2ncsc2c1)c1nc(C(C)(C)C)no1 ZINC000332112857 498566117 /nfs/dbraw/zinc/56/61/17/498566117.db2.gz UCMULYVREDXOLP-VIFPVBQESA-N -1 3 366.468 3.016 20 0 FGADHM Cc1ccsc1[C@@H]1C[C@H]1C(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000290518697 498582718 /nfs/dbraw/zinc/58/27/18/498582718.db2.gz ZKGVAGWXHHQHLL-JHJVBQTASA-N -1 3 374.428 3.077 20 0 FGADHM O=S(=O)([N-]Cc1cnc(C2CC2)o1)c1csc(-c2ccccc2)n1 ZINC000572812269 506057810 /nfs/dbraw/zinc/05/78/10/506057810.db2.gz XYAULWDKJKPLFV-UHFFFAOYSA-N -1 3 361.448 3.154 20 0 FGADHM CCn1c(CNC[C@H](Cc2ccccc2C)C(=O)[O-])nc2ccccc21 ZINC000578951520 506058029 /nfs/dbraw/zinc/05/80/29/506058029.db2.gz VPEPTHPGSPJVJQ-KRWDZBQOSA-N -1 3 351.450 3.398 20 0 FGADHM CC(=O)N(c1ccc(NC(=O)c2cc(F)cc3[n-]nnc32)cc1)[C@@H]1C[C@@H]1C ZINC000294111712 498593119 /nfs/dbraw/zinc/59/31/19/498593119.db2.gz JSZHSGHQKJMEHI-DYZYQPBXSA-N -1 3 367.384 3.111 20 0 FGADHM CC(=O)N(c1ccc(NC(=O)c2cc(F)cc3nn[n-]c32)cc1)[C@@H]1C[C@@H]1C ZINC000294111712 498593127 /nfs/dbraw/zinc/59/31/27/498593127.db2.gz JSZHSGHQKJMEHI-DYZYQPBXSA-N -1 3 367.384 3.111 20 0 FGADHM CC(=O)N(c1ccc(NC(=O)c2cc(F)cc3n[n-]nc32)cc1)[C@@H]1C[C@@H]1C ZINC000294111712 498593132 /nfs/dbraw/zinc/59/31/32/498593132.db2.gz JSZHSGHQKJMEHI-DYZYQPBXSA-N -1 3 367.384 3.111 20 0 FGADHM O=C(c1cccc([O-])c1)N1CCN(Cc2ccnc(Cl)c2Cl)CC1 ZINC000290576178 498605379 /nfs/dbraw/zinc/60/53/79/498605379.db2.gz YYLCDHZXPZJRME-UHFFFAOYSA-N -1 3 366.248 3.052 20 0 FGADHM Cn1cc(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)c(C(F)(F)F)n1 ZINC000332218891 498605504 /nfs/dbraw/zinc/60/55/04/498605504.db2.gz IQVVDPZZLYWAMB-UHFFFAOYSA-N -1 3 355.316 3.110 20 0 FGADHM Cc1cc(Br)oc1C(=O)[N-]c1nnc(C2CCOCC2)s1 ZINC000294166161 498608597 /nfs/dbraw/zinc/60/85/97/498608597.db2.gz MLZRAVHKAZZTEF-UHFFFAOYSA-N -1 3 372.244 3.348 20 0 FGADHM Cc1cc([C@H](NC(=O)c2c[n-]c3ccncc3c2=O)C2CC2)ccc1F ZINC000581712648 506050998 /nfs/dbraw/zinc/05/09/98/506050998.db2.gz DCIJXGHXBAPJTA-GOSISDBHSA-N -1 3 351.381 3.252 20 0 FGADHM CCOc1ccccc1OC1CCN(C(=O)c2cccc(OC)c2[O-])CC1 ZINC000363030456 498611326 /nfs/dbraw/zinc/61/13/26/498611326.db2.gz PSKFMZNVWQRDOD-UHFFFAOYSA-N -1 3 371.433 3.483 20 0 FGADHM C[C@@H](c1ccc(Br)cc1)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000332299088 498639751 /nfs/dbraw/zinc/63/97/51/498639751.db2.gz KKSVDPNMADJDHR-CMPLNLGQSA-N -1 3 352.232 3.478 20 0 FGADHM CC(C)(C)c1nc(=NC(=O)C2(C)CCN(Cc3ccccc3)CC2)s[n-]1 ZINC000332318173 498647288 /nfs/dbraw/zinc/64/72/88/498647288.db2.gz OGVKQZPAGPEECF-UHFFFAOYSA-N -1 3 372.538 3.498 20 0 FGADHM Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)CN1CCC(CC(=O)[O-])CC1 ZINC000581829747 506069149 /nfs/dbraw/zinc/06/91/49/506069149.db2.gz IYJYQGUHUJQPAQ-SFHVURJKSA-N -1 3 363.498 3.219 20 0 FGADHM Cc1cc(C(C)(C)C)ccc1OC[C@H](O)CN1CCC(CC(=O)[O-])CC1 ZINC000581829746 506069229 /nfs/dbraw/zinc/06/92/29/506069229.db2.gz IYJYQGUHUJQPAQ-GOSISDBHSA-N -1 3 363.498 3.219 20 0 FGADHM C[C@@]1(c2ccc(-c3noc([C@H]4CCCCC4(C)C)n3)cc2)NC(=O)[N-]C1=O ZINC000581849109 506073300 /nfs/dbraw/zinc/07/33/00/506073300.db2.gz AAZSAWLZZYLZQN-VLIAUNLRSA-N -1 3 368.437 3.475 20 0 FGADHM O=C(N=c1cc2ccccn2[n-]1)c1c(F)cc(Br)cc1F ZINC000581841564 506071172 /nfs/dbraw/zinc/07/11/72/506071172.db2.gz PAQGZUBUPVEDOI-UHFFFAOYSA-N -1 3 352.138 3.049 20 0 FGADHM CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000298182739 498687871 /nfs/dbraw/zinc/68/78/71/498687871.db2.gz GTFMDDLFKVLSIE-KRWDZBQOSA-N -1 3 362.451 3.163 20 0 FGADHM COC(=O)c1c(C)csc1[N-]C(=O)C(=O)N(C)[C@@H](C)c1ccccc1C ZINC000287271188 498697086 /nfs/dbraw/zinc/69/70/86/498697086.db2.gz AHJRVQJSOZYGBR-ZDUSSCGKSA-N -1 3 374.462 3.310 20 0 FGADHM COc1cccc(C(=O)N[C@@H]2CCCN(c3ccc(F)cc3C)C2)c1[O-] ZINC000303649788 498701028 /nfs/dbraw/zinc/70/10/28/498701028.db2.gz DMHAZSSRMIJMGV-OAHLLOKOSA-N -1 3 358.413 3.247 20 0 FGADHM CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000579023243 506076675 /nfs/dbraw/zinc/07/66/75/506076675.db2.gz LALLRCKYNFCUIY-SOLBZPMBSA-N -1 3 367.449 3.141 20 0 FGADHM Cc1ccc2[n-]cc(C(=O)N3CC[C@@H](C)[C@H](n4ccnc4)C3)c(=O)c2c1 ZINC000287307455 498710930 /nfs/dbraw/zinc/71/09/30/498710930.db2.gz LRHSSBZDWRFJNT-RDTXWAMCSA-N -1 3 350.422 3.169 20 0 FGADHM Cc1cncc(-c2cc([N-]C(=O)c3cnc(-c4ccccn4)s3)no2)c1 ZINC000365985378 498720300 /nfs/dbraw/zinc/72/03/00/498720300.db2.gz CFVJKUNLHBVTCU-UHFFFAOYSA-N -1 3 363.402 3.238 20 0 FGADHM CC(C)c1cccc2c1CCN(C(=O)c1ccc([N-]S(C)(=O)=O)cc1)C2 ZINC000332543981 498720380 /nfs/dbraw/zinc/72/03/80/498720380.db2.gz ZMBANZGTIQWOIG-UHFFFAOYSA-N -1 3 372.490 3.380 20 0 FGADHM CCC1(C(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)CCCCC1 ZINC000332560244 498726338 /nfs/dbraw/zinc/72/63/38/498726338.db2.gz VUGXITMGRUAGEQ-UHFFFAOYSA-N -1 3 358.482 3.474 20 0 FGADHM C[C@H](CON=C([O-])Nc1nc(C2CCC2)cs1)NC(=O)OC(C)(C)C ZINC000282976609 498732525 /nfs/dbraw/zinc/73/25/25/498732525.db2.gz JXSUHCOMAZDGNJ-SNVBAGLBSA-N -1 3 370.475 3.377 20 0 FGADHM C[C@H](CO[N-]C(=O)Nc1nc(C2CCC2)cs1)NC(=O)OC(C)(C)C ZINC000282976609 498732533 /nfs/dbraw/zinc/73/25/33/498732533.db2.gz JXSUHCOMAZDGNJ-SNVBAGLBSA-N -1 3 370.475 3.377 20 0 FGADHM CCN(CC)[C@H](CNC(=O)c1s[n-]c(=O)c1Cl)c1ccccc1 ZINC000282983256 498734964 /nfs/dbraw/zinc/73/49/64/498734964.db2.gz NIVSMTOHCCSOOI-GFCCVEGCSA-N -1 3 353.875 3.315 20 0 FGADHM CC(C)OCc1cc(NC(=O)c2nn(C)cc2Br)ccc1[O-] ZINC000294573613 498735753 /nfs/dbraw/zinc/73/57/53/498735753.db2.gz FVIVYESVFBFFFA-UHFFFAOYSA-N -1 3 368.231 3.066 20 0 FGADHM O=S(=O)([N-]C1(C(F)(F)F)CCOCC1)c1ccc2ccccc2c1 ZINC000332631398 498747281 /nfs/dbraw/zinc/74/72/81/498747281.db2.gz TYXMNNALLHQFTD-UHFFFAOYSA-N -1 3 359.369 3.230 20 0 FGADHM COc1cc(CNc2cccc(CCO)c2)cc(Br)c1[O-] ZINC000313175328 498765405 /nfs/dbraw/zinc/76/54/05/498765405.db2.gz OMAVUSKZRSDUPS-UHFFFAOYSA-N -1 3 352.228 3.310 20 0 FGADHM Cc1nc(C)c(CCC(=O)N2CC[C@H](C(F)(F)F)C3(CCC3)C2)c(=O)[n-]1 ZINC000283083987 498773050 /nfs/dbraw/zinc/77/30/50/498773050.db2.gz RNZXHGAUVRGPGS-AWEZNQCLSA-N -1 3 371.403 3.313 20 0 FGADHM COc1cc(CNCc2ccc(C)c(C)n2)cc(Br)c1[O-] ZINC000314204075 498773859 /nfs/dbraw/zinc/77/38/59/498773859.db2.gz RQWMNMYMNIFSJR-UHFFFAOYSA-N -1 3 351.244 3.465 20 0 FGADHM O=C([N-]OCc1ccc(C(F)(F)F)cc1)Nc1cc2n(n1)CCCC2 ZINC000287502371 498778820 /nfs/dbraw/zinc/77/88/20/498778820.db2.gz YFSGZGHWGLQXIU-UHFFFAOYSA-N -1 3 354.332 3.492 20 0 FGADHM [O-]C(=NOCc1ccc(C(F)(F)F)cc1)Nc1cc2n(n1)CCCC2 ZINC000287502371 498778815 /nfs/dbraw/zinc/77/88/15/498778815.db2.gz 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CCOCCOCc1cccc(NC(=O)c2c[n-]nc2-c2ccncc2)c1 ZINC000299010066 498940023 /nfs/dbraw/zinc/94/00/23/498940023.db2.gz VQZCAMMALOGCRS-UHFFFAOYSA-N -1 3 366.421 3.277 20 0 FGADHM CCOCCOCc1cccc(NC(=O)c2cn[n-]c2-c2ccncc2)c1 ZINC000299010066 498940032 /nfs/dbraw/zinc/94/00/32/498940032.db2.gz VQZCAMMALOGCRS-UHFFFAOYSA-N -1 3 366.421 3.277 20 0 FGADHM COC(=O)C1(CS(=O)(=O)[N-]c2ccc(COC(C)C)cc2)CCCC1 ZINC000582034946 506117993 /nfs/dbraw/zinc/11/79/93/506117993.db2.gz AAICXSFLGROYRR-UHFFFAOYSA-N -1 3 369.483 3.087 20 0 FGADHM Cc1cc([C@@H]2CCCN2C(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)no1 ZINC000363757237 498976894 /nfs/dbraw/zinc/97/68/94/498976894.db2.gz JAZPSXQSPJTDSQ-INIZCTEOSA-N -1 3 355.369 3.249 20 0 FGADHM O=S(=O)(C[C@@H]1CCCC1(F)F)[N-]Cc1coc(-c2ccccc2)n1 ZINC000295321328 498978867 /nfs/dbraw/zinc/97/88/67/498978867.db2.gz WLHUYFVHTLQTDU-ZDUSSCGKSA-N -1 3 356.394 3.196 20 0 FGADHM C[C@H]1CN(C(=O)CCc2ccc3ccccc3c2[O-])C[C@@]2(CCCOC2)O1 ZINC000333442889 499006619 /nfs/dbraw/zinc/00/66/19/499006619.db2.gz 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ZINC000366829716 499087967 /nfs/dbraw/zinc/08/79/67/499087967.db2.gz DTYWIYKDOLDUCP-UHFFFAOYSA-N -1 3 371.319 3.349 20 0 FGADHM C[C@]1(C[C@H]2CCCN2C(=O)[C@@H]2CCSc3ccccc32)NC(=O)[N-]C1=O ZINC000329408564 499116379 /nfs/dbraw/zinc/11/63/79/499116379.db2.gz XPAPJJWNTXTBSZ-BBEGDGIKSA-N -1 3 373.478 3.290 20 0 FGADHM CC(C)c1cc(C(=O)N2CCC[C@]3(CNC(=O)O3)C2)c([O-])c(C(C)C)c1 ZINC000364135896 499122241 /nfs/dbraw/zinc/12/22/41/499122241.db2.gz NPDBSMHAACUNJL-FQEVSTJZSA-N -1 3 360.454 3.354 20 0 FGADHM Cc1ccc(SC2CCCC2)c(C(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)c1 ZINC000329471691 499126208 /nfs/dbraw/zinc/12/62/08/499126208.db2.gz ZREZSRUYMIJGEV-OAHLLOKOSA-N -1 3 373.478 3.246 20 0 FGADHM COc1ccccc1[C@@H]1CCCN1C(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000367059290 499141853 /nfs/dbraw/zinc/14/18/53/499141853.db2.gz DKLZCQMTUDCJEB-HNNXBMFYSA-N -1 3 357.406 3.395 20 0 FGADHM O=C(N[C@H]1C[C@H](c2cc(F)cc(F)c2)C1)c1c[n-]c2ccccc2c1=O ZINC000369945364 499155340 /nfs/dbraw/zinc/15/53/40/499155340.db2.gz LBZGDDCLBDHKFR-NNUKFRKNSA-N -1 3 354.356 3.482 20 0 FGADHM CC(C)c1nc2n(n1)CCC[C@@H]2[N-]C(=O)C(F)(F)c1ccccc1F ZINC000367270564 499171325 /nfs/dbraw/zinc/17/13/25/499171325.db2.gz LRMZNQLDXXXRJC-ZDUSSCGKSA-N -1 3 352.360 3.284 20 0 FGADHM COc1cc(C(=O)N[C@@H](c2ccccc2)C2CCOCC2)cc(OC)c1[O-] ZINC000372854607 499185132 /nfs/dbraw/zinc/18/51/32/499185132.db2.gz CUEFAYQBRKNLLX-IBGZPJMESA-N -1 3 371.433 3.307 20 0 FGADHM COc1cc(C(=O)Nc2cccc(-n3nccc3C)c2)cc(OC)c1[O-] ZINC000372860285 499186131 /nfs/dbraw/zinc/18/61/31/499186131.db2.gz UQOPPAGMJCKKQD-UHFFFAOYSA-N -1 3 353.378 3.156 20 0 FGADHM COCc1cccc(CC(=O)Nc2cccc(-c3nc(C)cc(=O)[n-]3)c2)c1 ZINC000370436685 499220788 /nfs/dbraw/zinc/22/07/88/499220788.db2.gz NTZPOKDPQGVKGC-UHFFFAOYSA-N -1 3 363.417 3.485 20 0 FGADHM C[C@H](CC1CCCC1)C(=O)NC1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000370723616 499248407 /nfs/dbraw/zinc/24/84/07/499248407.db2.gz WBJHNVBIOCKSJI-OAHLLOKOSA-N -1 3 358.482 3.329 20 0 FGADHM Cc1ccc(NC(=O)NC2CCN(C(=O)c3cccc([O-])c3)CC2)cc1F ZINC000370742985 499250528 /nfs/dbraw/zinc/25/05/28/499250528.db2.gz SMNMZIPXCJSMHW-UHFFFAOYSA-N -1 3 371.412 3.266 20 0 FGADHM CCc1cc(C(=O)N2CCc3c(cccc3N3CCOC3=O)C2)ccc1[O-] ZINC000368694527 499322614 /nfs/dbraw/zinc/32/26/14/499322614.db2.gz ZVFZSUASCFOYPP-UHFFFAOYSA-N -1 3 366.417 3.110 20 0 FGADHM O=C(NC1(C2CC2)CCOCC1)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000368731928 499326248 /nfs/dbraw/zinc/32/62/48/499326248.db2.gz HDHWFIQJPDONDR-UHFFFAOYSA-N -1 3 365.429 3.312 20 0 FGADHM O=C([N-]OCC(F)(F)F)[C@@H]1C[C@]12CCc1cc(Br)ccc12 ZINC000369070498 499362384 /nfs/dbraw/zinc/36/23/84/499362384.db2.gz JSQROEBTWUPDOQ-AAEUAGOBSA-N -1 3 364.161 3.263 20 0 FGADHM O=C(Nc1ccccc1[O-])C1CCN(C(=O)[C@@H]2CCC(F)(F)C2)CC1 ZINC000369101875 499365838 /nfs/dbraw/zinc/36/58/38/499365838.db2.gz SHWNISLEMPQDBF-CYBMUJFWSA-N -1 3 352.381 3.005 20 0 FGADHM CC(C)c1nnc2n1CCN(C(=O)c1cc([O-])ccc1C(F)(F)F)[C@H]2C ZINC000369147907 499370824 /nfs/dbraw/zinc/37/08/24/499370824.db2.gz OBWIEAGICNKDFP-JTQLQIEISA-N -1 3 368.359 3.343 20 0 FGADHM CCOC(=O)c1c[n-]n(C2CCN([C@H](C)c3cccc(C)c3)CC2)c1=N ZINC000371852802 499371797 /nfs/dbraw/zinc/37/17/97/499371797.db2.gz KFGBSFMFIJGLDK-OAHLLOKOSA-N -1 3 356.470 3.179 20 0 FGADHM O=C(c1cc([O-])ccc1C(F)(F)F)N1CCC(OC[C@H]2CCOC2)CC1 ZINC000369160753 499372650 /nfs/dbraw/zinc/37/26/50/499372650.db2.gz COJFFMDRYFZCRI-LBPRGKRZSA-N -1 3 373.371 3.069 20 0 FGADHM O=S(=O)([N-][C@@H](c1noc(C2CC2)n1)c1ccccc1)c1ccccc1F ZINC000369287793 499387794 /nfs/dbraw/zinc/38/77/94/499387794.db2.gz KSPADJWHMSFLJM-MRXNPFEDSA-N -1 3 373.409 3.154 20 0 FGADHM O=C(N[C@H](c1ccccc1)C1CCOCC1)c1c[n-]c2ccccc2c1=O ZINC000369348508 499394194 /nfs/dbraw/zinc/39/41/94/499394194.db2.gz UAYVXJXAGWYVDU-HXUWFJFHSA-N -1 3 362.429 3.426 20 0 FGADHM CS(=O)(=O)[N-]c1cc(NC(=O)[C@H]2CCCc3sccc32)ccc1F ZINC000372111304 499400089 /nfs/dbraw/zinc/40/00/89/499400089.db2.gz QQEIEJMKPJMJBO-LBPRGKRZSA-N -1 3 368.455 3.317 20 0 FGADHM Cc1nc2c(s1)CCC[C@H]2CN(C)C(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000369505692 499410433 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C[C@H](C[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21)Cn1cccn1 ZINC000440419046 501006899 /nfs/dbraw/zinc/00/68/99/501006899.db2.gz VHEOXKPWWUZZRR-CYBMUJFWSA-N -1 3 363.870 3.304 20 0 FGADHM CC(C)OC(=O)[C@H](C)C[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000440420486 501006931 /nfs/dbraw/zinc/00/69/31/501006931.db2.gz XPBGVGNKOMBRFS-GFCCVEGCSA-N -1 3 369.870 3.359 20 0 FGADHM COc1ccc(CN2CCC[C@@H]2[C@H]2CCC[C@@H]2O)c(Br)c1[O-] ZINC000449474471 501011803 /nfs/dbraw/zinc/01/18/03/501011803.db2.gz SBBVWHUKMFUAJV-MCIONIFRSA-N -1 3 370.287 3.289 20 0 FGADHM CCCCS(=O)(=O)[N-]Cc1nc(C(C)(C)c2ccccc2Cl)no1 ZINC000445684625 501019141 /nfs/dbraw/zinc/01/91/41/501019141.db2.gz XHSJXXSIHQAJPW-UHFFFAOYSA-N -1 3 371.890 3.268 20 0 FGADHM CO[C@@H](c1ccc(Br)cc1)[C@@H](C)[N-]S(=O)(=O)c1ccco1 ZINC000445710233 501022787 /nfs/dbraw/zinc/02/27/87/501022787.db2.gz UBUQJNMGEDMINW-QMTHXVAHSA-N -1 3 374.256 3.097 20 0 FGADHM CO[C@H](c1ccc(Br)cc1)[C@@H](C)[N-]S(=O)(=O)c1ccco1 ZINC000445710234 501022691 /nfs/dbraw/zinc/02/26/91/501022691.db2.gz UBUQJNMGEDMINW-YGRLFVJLSA-N -1 3 374.256 3.097 20 0 FGADHM COC(=O)c1cc(C)ccc1S(=O)(=O)[N-][C@H](CC(F)(F)F)C(C)C ZINC000445726376 501024677 /nfs/dbraw/zinc/02/46/77/501024677.db2.gz RCTYDMBOYGJJOU-GFCCVEGCSA-N -1 3 367.389 3.037 20 0 FGADHM O=S(=O)([N-][C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)c1ccco1 ZINC000445736203 501025991 /nfs/dbraw/zinc/02/59/91/501025991.db2.gz YZYPXAIOGMEJCF-SNVBAGLBSA-N -1 3 361.250 3.144 20 0 FGADHM COc1ccccc1NC(=O)Cc1noc(/C=C/c2cccc([O-])c2)n1 ZINC000435988274 501054450 /nfs/dbraw/zinc/05/44/50/501054450.db2.gz VXAXJWPFCCZXIG-MDZDMXLPSA-N -1 3 351.362 3.135 20 0 FGADHM CCCn1c(=O)[n-]nc1S[C@H](Cc1ccc(Cl)cc1F)C(C)=O ZINC000436125623 501074730 /nfs/dbraw/zinc/07/47/30/501074730.db2.gz CREKNYMNFDMLII-CYBMUJFWSA-N -1 3 357.838 3.479 20 0 FGADHM CCCCn1c(=O)[n-]nc1S[C@H](Cc1c(F)cccc1F)C(C)=O ZINC000436131707 501075269 /nfs/dbraw/zinc/07/52/69/501075269.db2.gz PVUVFIARMWGTDW-CQSZACIVSA-N -1 3 355.410 3.354 20 0 FGADHM COC(=O)c1cccc(F)c1[N-]C(=O)c1sc(-c2ncccn2)nc1C ZINC000446108065 501075826 /nfs/dbraw/zinc/07/58/26/501075826.db2.gz LJFZNBNDLHZUEI-UHFFFAOYSA-N -1 3 372.381 3.087 20 0 FGADHM COc1ccc(SCCCC(=O)Nc2nnc(C(F)(F)F)[n-]2)cc1 ZINC000436144599 501077816 /nfs/dbraw/zinc/07/78/16/501077816.db2.gz CEBCRPMARWHMBV-UHFFFAOYSA-N -1 3 360.361 3.343 20 0 FGADHM COc1ccc(SCCCC(=O)Nc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000436144599 501077818 /nfs/dbraw/zinc/07/78/18/501077818.db2.gz CEBCRPMARWHMBV-UHFFFAOYSA-N -1 3 360.361 3.343 20 0 FGADHM O=c1[n-]c(-c2csc(I)c2)nc2cccnc12 ZINC000446142324 501081443 /nfs/dbraw/zinc/08/14/43/501081443.db2.gz VRDGOZSBSKHFQE-UHFFFAOYSA-N -1 3 355.160 3.064 20 0 FGADHM O=c1[n-]c(-c2csc(I)c2)nc2ccc(O)cc12 ZINC000446155811 501083530 /nfs/dbraw/zinc/08/35/30/501083530.db2.gz JABBMTWRXMVVAF-UHFFFAOYSA-N -1 3 370.171 3.374 20 0 FGADHM CCCc1ccc(-c2cc(=NC(=O)CCCn3nc(C)nc3C)[nH][n-]2)cc1 ZINC000449810039 501093989 /nfs/dbraw/zinc/09/39/89/501093989.db2.gz JWJKGVLDILDKLA-UHFFFAOYSA-N -1 3 366.469 3.078 20 0 FGADHM CCOC(=O)c1csc(=NC2CCN([C@@H](C)c3ccccc3)CC2)[n-]1 ZINC000450337485 501095007 /nfs/dbraw/zinc/09/50/07/501095007.db2.gz GAIVEEDIWPTVEU-AWEZNQCLSA-N -1 3 359.495 3.379 20 0 FGADHM O=C1CCN1c1cccc(CNCc2cc([O-])ccc2Br)c1 ZINC000441191842 501101314 /nfs/dbraw/zinc/10/13/14/501101314.db2.gz AJXIQMZOOCMMIX-UHFFFAOYSA-N -1 3 361.239 3.181 20 0 FGADHM COc1ccc(NC(C)=O)cc1NC(=O)c1c[n-]c2c(C)cccc2c1=O ZINC000607716760 506237912 /nfs/dbraw/zinc/23/79/12/506237912.db2.gz UXUXAOZMWWFCSV-UHFFFAOYSA-N -1 3 365.389 3.056 20 0 FGADHM CCOC(=O)C1(C(=O)N=c2cc(-c3cc(Cl)cc(Cl)c3)[n-][nH]2)CC1 ZINC000446369438 501111716 /nfs/dbraw/zinc/11/17/16/501111716.db2.gz DMOKQTASACLSBD-UHFFFAOYSA-N -1 3 368.220 3.087 20 0 FGADHM CCOC(=O)[C@@]1(C(C)C)CCN(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000446433861 501121240 /nfs/dbraw/zinc/12/12/40/501121240.db2.gz VZNWLKLKDSAHDQ-FQEVSTJZSA-N -1 3 365.445 3.292 20 0 FGADHM CCOc1cc(CNC(=O)c2cccc(OC)c2[O-])ccc1OC(F)F ZINC000436492806 501138674 /nfs/dbraw/zinc/13/86/74/501138674.db2.gz SBDLHGBGDLKNFP-UHFFFAOYSA-N -1 3 367.348 3.331 20 0 FGADHM CCOc1cc2c(cc1[C@@H]1C[C@H]1NC(=O)c1ccccc1[O-])O[C@H](C)C2 ZINC000436494946 501139159 /nfs/dbraw/zinc/13/91/59/501139159.db2.gz MTXDYHYYUKUMAD-ISTRZQFTSA-N -1 3 353.418 3.400 20 0 FGADHM CC(C)[C@@H]1CCCC[C@H]1NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436528317 501148067 /nfs/dbraw/zinc/14/80/67/501148067.db2.gz NUMNHQRCRRNMAR-FUHWJXTLSA-N -1 3 373.497 3.074 20 0 FGADHM CCCN(C(=O)c1ccc2c(c1[O-])OC(C)(C)C2)[C@H](CC)C(=O)OCC ZINC000436524333 501148171 /nfs/dbraw/zinc/14/81/71/501148171.db2.gz GRVGBOWQKOKNGJ-OAHLLOKOSA-N -1 3 363.454 3.300 20 0 FGADHM CCCS(=O)(=O)Nc1cccc(NC(=O)c2cc(CC)ccc2[O-])c1 ZINC000436525620 501148440 /nfs/dbraw/zinc/14/84/40/501148440.db2.gz BPBTVJCJNNOPQD-UHFFFAOYSA-N -1 3 362.451 3.359 20 0 FGADHM COc1ccc(C(=O)N2CCC(OCCc3ccccc3)CC2)c([O-])c1 ZINC000436533175 501149401 /nfs/dbraw/zinc/14/94/01/501149401.db2.gz MHKRCMHSOHEDJU-UHFFFAOYSA-N -1 3 355.434 3.265 20 0 FGADHM COc1ccccc1N1CC[C@H](CNC(=O)c2ccc(C)c(C)c2[O-])C1 ZINC000436542013 501151468 /nfs/dbraw/zinc/15/14/68/501151468.db2.gz BQJHATCABVJPNF-MRXNPFEDSA-N -1 3 354.450 3.274 20 0 FGADHM Cc1nc([C@@H](NC(=O)c2ccc(C)c(C)c2[O-])c2ccccc2F)no1 ZINC000436543623 501152540 /nfs/dbraw/zinc/15/25/40/501152540.db2.gz GDVDCIQZPLPQAZ-INIZCTEOSA-N -1 3 355.369 3.359 20 0 FGADHM CC(C)Cc1cccc([C@@H](C)C(=O)NCCNC(=O)c2ccc([O-])cc2)c1 ZINC000436550466 501154460 /nfs/dbraw/zinc/15/44/60/501154460.db2.gz ZEJMZKPJPVRWGX-MRXNPFEDSA-N -1 3 368.477 3.240 20 0 FGADHM O=C(N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1)c1ccccc1[O-] ZINC000436559722 501157131 /nfs/dbraw/zinc/15/71/31/501157131.db2.gz YOXCTTZVZQEYQK-LJQANCHMSA-N -1 3 360.413 3.372 20 0 FGADHM O=C(NC[C@H]1CCC[C@H](O)C1)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436564524 501157788 /nfs/dbraw/zinc/15/77/88/501157788.db2.gz PFIJHIPZTDLOEW-OALUTQOASA-N -1 3 353.462 3.458 20 0 FGADHM COC(=O)COc1ccc(NC(=O)c2cc3c(cc2[O-])CCCC3)c(C)c1 ZINC000436565188 501157796 /nfs/dbraw/zinc/15/77/96/501157796.db2.gz TWPUEZQOJZYKGN-UHFFFAOYSA-N -1 3 369.417 3.384 20 0 FGADHM Cc1ccc([O-])c(C(=O)N2CSC[C@H]2C(=O)N[C@H](C)CCC(C)C)c1 ZINC000436565202 501158184 /nfs/dbraw/zinc/15/81/84/501158184.db2.gz SQEKKMZGTSGRCQ-ZBFHGGJFSA-N -1 3 364.511 3.157 20 0 FGADHM CCN(CC)[C@H](CNC(=O)c1ccc(C(C)=O)c([O-])c1)c1ccsc1 ZINC000436567787 501158952 /nfs/dbraw/zinc/15/89/52/501158952.db2.gz PBGJCVJIOFMBCL-QGZVFWFLSA-N -1 3 360.479 3.469 20 0 FGADHM COc1ccc(C(=O)N[C@H]2CCN(C)[C@H]2c2ccc(Cl)cc2)c([O-])c1 ZINC000436578661 501161060 /nfs/dbraw/zinc/16/10/60/501161060.db2.gz ASNCJQIQEOFFPG-WMZOPIPTSA-N -1 3 360.841 3.229 20 0 FGADHM CCOC(=O)CN(C(=O)c1ccc2c(c1[O-])OC(C)(C)C2)C1CCCC1 ZINC000436581742 501162357 /nfs/dbraw/zinc/16/23/57/501162357.db2.gz BTDQVGALJLGVIB-UHFFFAOYSA-N -1 3 361.438 3.054 20 0 FGADHM CC(C)c1ccc(C(=O)N[C@H](CS(C)(=O)=O)c2ccccc2)c([O-])c1 ZINC000436580817 501162533 /nfs/dbraw/zinc/16/25/33/501162533.db2.gz XMDYTXQRXMJCLU-QGZVFWFLSA-N -1 3 361.463 3.031 20 0 FGADHM CC[C@@H]1Oc2cc([C@H](C)NC(=O)c3ccc(OC)cc3[O-])ccc2NC1=O ZINC000436588353 501163889 /nfs/dbraw/zinc/16/38/89/501163889.db2.gz MMDGQVQRYMSAEF-GTNSWQLSSA-N -1 3 370.405 3.001 20 0 FGADHM CCNC(=O)N1CCc2ccc(NC(=O)c3cc(C)cc(OC)c3[O-])cc21 ZINC000436592715 501164726 /nfs/dbraw/zinc/16/47/26/501164726.db2.gz YBODGJRFTLJTJA-UHFFFAOYSA-N -1 3 369.421 3.054 20 0 FGADHM C[C@H](C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1)c1cccc(F)c1 ZINC000436595349 501165538 /nfs/dbraw/zinc/16/55/38/501165538.db2.gz LJIDEWWRXCTSJF-AWEZNQCLSA-N -1 3 370.424 3.056 20 0 FGADHM COC(=O)C[C@H]1CCCN1C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436601484 501167359 /nfs/dbraw/zinc/16/73/59/501167359.db2.gz ICFWOOCNDMNLCP-GOSISDBHSA-N -1 3 367.445 3.345 20 0 FGADHM COc1cccc(-c2cc(NC(=O)c3cc(C)cc(OC)c3[O-])n(C)n2)c1 ZINC000436600731 501167707 /nfs/dbraw/zinc/16/77/07/501167707.db2.gz HTPZRQQJPJZMFS-UHFFFAOYSA-N -1 3 367.405 3.371 20 0 FGADHM CC[C@H](C)NC(=O)CCNC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436618317 501171130 /nfs/dbraw/zinc/17/11/30/501171130.db2.gz NGHNEPTUBWLIQD-HNNXBMFYSA-N -1 3 354.450 3.018 20 0 FGADHM O=C(NCC1(c2cccc(Br)c2)CC1)c1ccc(O)cc1[O-] ZINC000436626322 501172723 /nfs/dbraw/zinc/17/27/23/501172723.db2.gz PKISJIQHLGBRQQ-UHFFFAOYSA-N -1 3 362.223 3.322 20 0 FGADHM C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)c1cc(F)c([O-])c(F)c1 ZINC000436640318 501176062 /nfs/dbraw/zinc/17/60/62/501176062.db2.gz OZZSTJKFOWRJRT-SCLBCKFNSA-N -1 3 360.404 3.311 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(O)c(OC)c3)c2)n1 ZINC000436639963 501176254 /nfs/dbraw/zinc/17/62/54/501176254.db2.gz SATQUEJKWFZPDW-UHFFFAOYSA-N -1 3 365.389 3.378 20 0 FGADHM CC1(C)Cc2ccc(C(=O)N3CCC[C@](O)(C(F)(F)F)CC3)c([O-])c2O1 ZINC000436645740 501176926 /nfs/dbraw/zinc/17/69/26/501176926.db2.gz DMCKANCJQLJSOL-QGZVFWFLSA-N -1 3 373.371 3.025 20 0 FGADHM CCNC(=O)N1CCc2ccc(NC(=O)c3ccc([O-])c(CC)c3)cc21 ZINC000436646282 501178062 /nfs/dbraw/zinc/17/80/62/501178062.db2.gz FXACTXYSARZQLW-UHFFFAOYSA-N -1 3 353.422 3.299 20 0 FGADHM CC(C)[C@H](NC(=O)c1cc(OCc2ccccc2)ccc1[O-])c1ncon1 ZINC000436646978 501178252 /nfs/dbraw/zinc/17/82/52/501178252.db2.gz IKGKLVZRCLWBDK-SFHVURJKSA-N -1 3 367.405 3.481 20 0 FGADHM O=C(Nc1cnn(-c2ccccc2Br)c1)c1c([O-])cccc1O ZINC000436649938 501179060 /nfs/dbraw/zinc/17/90/60/501179060.db2.gz WYJXNLXHTPOWNS-UHFFFAOYSA-N -1 3 374.194 3.298 20 0 FGADHM O=C(c1c([O-])cccc1F)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000436654175 501179977 /nfs/dbraw/zinc/17/99/77/501179977.db2.gz COQXSJJYABVFNR-NRFANRHFSA-N -1 3 354.425 3.270 20 0 FGADHM CC(=O)c1ccc(C(=O)N[C@H]2CCCN(c3ccccc3F)C2)cc1[O-] ZINC000436663667 501182321 /nfs/dbraw/zinc/18/23/21/501182321.db2.gz ICUQOTNUSXYCSC-HNNXBMFYSA-N -1 3 356.397 3.133 20 0 FGADHM CC(=O)c1ccc(C(=O)N(Cc2ccccc2)C[C@H]2CCCO2)cc1[O-] ZINC000436664600 501182324 /nfs/dbraw/zinc/18/23/24/501182324.db2.gz JXECQRVBNKNEQJ-GOSISDBHSA-N -1 3 353.418 3.416 20 0 FGADHM CC(=O)c1ccc(C(=O)NC[C@H](c2ccccc2)C(C)(C)CO)cc1[O-] ZINC000436668058 501183249 /nfs/dbraw/zinc/18/32/49/501183249.db2.gz WNHLBVZKERVNOK-GOSISDBHSA-N -1 3 355.434 3.127 20 0 FGADHM CN1CCC(Oc2ccc(NC(=O)c3ccc(Cl)cc3[O-])cn2)CC1 ZINC000436674049 501184735 /nfs/dbraw/zinc/18/47/35/501184735.db2.gz GQWTZGQOVJECPH-UHFFFAOYSA-N -1 3 361.829 3.166 20 0 FGADHM O=C(NCCCNC(=O)c1cccc([O-])c1)c1cc2cc(Cl)ccc2[nH]1 ZINC000588218470 506239227 /nfs/dbraw/zinc/23/92/27/506239227.db2.gz JGXQXCPTFWWHDE-UHFFFAOYSA-N -1 3 371.824 3.077 20 0 FGADHM CCc1nc(CCNC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)sc1C ZINC000436678064 501186290 /nfs/dbraw/zinc/18/62/90/501186290.db2.gz AORFDIBBNFIYAB-UHFFFAOYSA-N -1 3 360.479 3.406 20 0 FGADHM Cc1ccc(C(=O)NCCc2nc(-c3cc(F)ccc3C)no2)c([O-])c1 ZINC000436689920 501189091 /nfs/dbraw/zinc/18/90/91/501189091.db2.gz PDPKDAOFIWMPCY-UHFFFAOYSA-N -1 3 355.369 3.171 20 0 FGADHM C[C@@H](CC1CCCCC1)NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000446982992 501190985 /nfs/dbraw/zinc/19/09/85/501190985.db2.gz LRLQKYJHTFXAHU-INIZCTEOSA-N -1 3 373.497 3.219 20 0 FGADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)c1cc[nH]c1C1CCC1 ZINC000436699457 501191689 /nfs/dbraw/zinc/19/16/89/501191689.db2.gz RDZJJTULGPFMIZ-UHFFFAOYSA-N -1 3 367.449 3.022 20 0 FGADHM CC1(C)CN(C(=O)c2ccc3c(c2[O-])CCCC3)C[C@@H](C(F)(F)F)O1 ZINC000436705009 501192306 /nfs/dbraw/zinc/19/23/06/501192306.db2.gz IQMAQAMVESGPCR-AWEZNQCLSA-N -1 3 357.372 3.453 20 0 FGADHM COc1ccc(C(=O)NCC2(c3ccc(F)cc3)CCOCC2)c([O-])c1 ZINC000436708752 501193110 /nfs/dbraw/zinc/19/31/10/501193110.db2.gz KRQQFZNEJYGNGW-UHFFFAOYSA-N -1 3 359.397 3.018 20 0 FGADHM COc1cccc(C2(NC(=O)c3cccc(C)c3[O-])CCOCC2)c1F ZINC000436713668 501194606 /nfs/dbraw/zinc/19/46/06/501194606.db2.gz JVNFKMXYQYXZFQ-UHFFFAOYSA-N -1 3 359.397 3.284 20 0 FGADHM CCOc1nc2ccc(C(=O)Nc3nnc(CC(F)(F)F)s3)cc2[n-]1 ZINC000450153794 501195768 /nfs/dbraw/zinc/19/57/68/501195768.db2.gz XVTHKCWSGABITN-UHFFFAOYSA-N -1 3 371.344 3.170 20 0 FGADHM CCOc1nc2cc(C(=O)Nc3nnc(CC(F)(F)F)s3)ccc2[n-]1 ZINC000450153794 501195771 /nfs/dbraw/zinc/19/57/71/501195771.db2.gz XVTHKCWSGABITN-UHFFFAOYSA-N -1 3 371.344 3.170 20 0 FGADHM CCNC(=O)C1(CNC(=O)c2cc(Cc3ccccc3)ccc2[O-])CCC1 ZINC000436730732 501199014 /nfs/dbraw/zinc/19/90/14/501199014.db2.gz XXSBOSZOMPIRIW-UHFFFAOYSA-N -1 3 366.461 3.019 20 0 FGADHM COc1cc(C)cc(C(=O)Nc2ccc(F)c(N3CCCNC3=O)c2)c1[O-] ZINC000436739909 501201749 /nfs/dbraw/zinc/20/17/49/501201749.db2.gz RCLMLYWYIDLJLW-UHFFFAOYSA-N -1 3 373.384 3.020 20 0 FGADHM Cc1ccc(C(=O)Nc2ccc(F)c(N3CCCNC3=O)c2)c([O-])c1C ZINC000436742398 501202617 /nfs/dbraw/zinc/20/26/17/501202617.db2.gz XJNUYHUGWFGIRY-UHFFFAOYSA-N -1 3 357.385 3.320 20 0 FGADHM COC(=O)c1cc(CN(C)C(=O)c2cc3c(cc2[O-])CCCC3)oc1C ZINC000436757515 501206036 /nfs/dbraw/zinc/20/60/36/501206036.db2.gz IASGTWWSPFHDLY-UHFFFAOYSA-N -1 3 357.406 3.231 20 0 FGADHM Cc1ccc(C(=O)Nc2cc(C(N)=O)ccc2N2CCCCC2)c([O-])c1 ZINC000436757840 501206146 /nfs/dbraw/zinc/20/61/46/501206146.db2.gz VFNXZKSWSVMZSK-UHFFFAOYSA-N -1 3 353.422 3.042 20 0 FGADHM COc1ccc2c(c1OC)CCN(C(=O)c1cc3c(cc1[O-])CCCC3)C2 ZINC000436764808 501207627 /nfs/dbraw/zinc/20/76/27/501207627.db2.gz NNZYCCYLBFQFBB-UHFFFAOYSA-N -1 3 367.445 3.487 20 0 FGADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N[C@H]1CCC[C@H]1F ZINC000436773154 501209705 /nfs/dbraw/zinc/20/97/05/501209705.db2.gz IAOPIYZVQSZTEL-CEXWTWQISA-N -1 3 370.424 3.260 20 0 FGADHM COc1cc(-c2noc(C[C@@H](NC(C)=O)c3ccc(C)cc3)n2)ccc1[O-] ZINC000436782073 501210737 /nfs/dbraw/zinc/21/07/37/501210737.db2.gz AVOAEFHHVBMFMU-MRXNPFEDSA-N -1 3 367.405 3.179 20 0 FGADHM C[C@@H]1C[C@H]1N1CCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C[C@@H](C)C1 ZINC000436790643 501212014 /nfs/dbraw/zinc/21/20/14/501212014.db2.gz HDJFSDNWNSFPAX-YWPYICTPSA-N -1 3 356.388 3.213 20 0 FGADHM COC(=O)c1cc(C)nc2nc(SC[C@H]3CCCC3(F)F)[n-]c(=O)c12 ZINC000450817187 501213408 /nfs/dbraw/zinc/21/34/08/501213408.db2.gz DNOLYQSGHPOUAZ-SECBINFHSA-N -1 3 369.393 3.353 20 0 FGADHM CCc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2C)c([O-])c1 ZINC000436805277 501213980 /nfs/dbraw/zinc/21/39/80/501213980.db2.gz XTEXEXBWKYMVJJ-UHFFFAOYSA-N -1 3 353.466 3.267 20 0 FGADHM CCO[C@H]1C[C@H](N(C)C(=O)c2cc(OC)c([O-])c(OC)c2)C1(CC)CC ZINC000436806995 501214490 /nfs/dbraw/zinc/21/44/90/501214490.db2.gz HCWWUWKDTHAFFS-IRXDYDNUSA-N -1 3 365.470 3.465 20 0 FGADHM O=C(c1ccc2c(c1[O-])CCCC2)N1CCC[C@@H](Oc2ncccc2F)C1 ZINC000436807128 501214515 /nfs/dbraw/zinc/21/45/15/501214515.db2.gz HSSCCFLCLPRTCN-OAHLLOKOSA-N -1 3 370.424 3.489 20 0 FGADHM CCc1ccc(C(=O)N[C@@H](C)c2ccc(OCCOC)c(OC)c2)c([O-])c1 ZINC000436810269 501214859 /nfs/dbraw/zinc/21/48/59/501214859.db2.gz XAOKSCRFNWPPDE-AWEZNQCLSA-N -1 3 373.449 3.479 20 0 FGADHM Cc1ccc(C(=O)N(Cc2ccccc2)C[C@]2(O)CCO[C@H]2C)c([O-])c1C ZINC000436809575 501215074 /nfs/dbraw/zinc/21/50/74/501215074.db2.gz UJPSGBYVIXVKDF-HTAPYJJXSA-N -1 3 369.461 3.191 20 0 FGADHM CCOc1nc2cc(C(=O)N[C@H](C)c3ccc([S@](C)=O)cc3)ccc2[n-]1 ZINC000450245957 501218462 /nfs/dbraw/zinc/21/84/62/501218462.db2.gz SNERVSFUGHNGPE-RYZVSIALSA-N -1 3 371.462 3.190 20 0 FGADHM CCOc1nc2ccc(C(=O)N[C@H](C)c3ccc([S@](C)=O)cc3)cc2[n-]1 ZINC000450245957 501218464 /nfs/dbraw/zinc/21/84/64/501218464.db2.gz SNERVSFUGHNGPE-RYZVSIALSA-N -1 3 371.462 3.190 20 0 FGADHM CCc1ccc(C(=O)Nc2cc(C(=O)OC)cc(OC)c2OC)c([O-])c1 ZINC000436835320 501219064 /nfs/dbraw/zinc/21/90/64/501219064.db2.gz VQCNSTPNNZLVHJ-UHFFFAOYSA-N -1 3 359.378 3.011 20 0 FGADHM COc1ccc(C(=O)N[C@@H]2CCCN(c3ccc(F)cc3C)C2)c([O-])c1 ZINC000436838093 501219089 /nfs/dbraw/zinc/21/90/89/501219089.db2.gz JQDHYLMUKMOEMB-OAHLLOKOSA-N -1 3 358.413 3.247 20 0 FGADHM COc1ccc(C(=O)NC[C@@H](NCc2ccccc2)c2ccco2)c([O-])c1 ZINC000436859918 501223007 /nfs/dbraw/zinc/22/30/07/501223007.db2.gz ZKAYJCVNXOYNTI-GOSISDBHSA-N -1 3 366.417 3.255 20 0 FGADHM CC[C@](C)(COc1ncccc1Cl)NC(=O)Cc1ccc([O-])c(F)c1 ZINC000450275204 501223573 /nfs/dbraw/zinc/22/35/73/501223573.db2.gz MBGFQEOOEQYBNS-GOSISDBHSA-N -1 3 366.820 3.486 20 0 FGADHM COc1cc(-c2noc(-c3cc(F)ccc3-n3cccn3)n2)ccc1[O-] ZINC000436873719 501225603 /nfs/dbraw/zinc/22/56/03/501225603.db2.gz QSVCPVGKEXOZOF-UHFFFAOYSA-N -1 3 352.325 3.443 20 0 FGADHM O=c1[n-]nc([C@@H]2CCCN(CCCOc3cccc(C(F)(F)F)c3)C2)o1 ZINC000450896957 501225717 /nfs/dbraw/zinc/22/57/17/501225717.db2.gz PBWKXTDEJPIJMW-GFCCVEGCSA-N -1 3 371.359 3.443 20 0 FGADHM CCC1(CC)[C@@H](OC)C[C@@H]1N(C)C(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000436878425 501225900 /nfs/dbraw/zinc/22/59/00/501225900.db2.gz CPOVCTUYDKPAIR-HOTGVXAUSA-N -1 3 351.443 3.075 20 0 FGADHM CC1CCC(C)(CNC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])CC1 ZINC000436890842 501228147 /nfs/dbraw/zinc/22/81/47/501228147.db2.gz VLQLCOUNAKIKDF-FIWNRLKKSA-N -1 3 358.482 3.329 20 0 FGADHM CCOc1cc(Cl)ccc1CNC(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000436891116 501228747 /nfs/dbraw/zinc/22/87/47/501228747.db2.gz FJJFTXJRLDRMTN-UHFFFAOYSA-N -1 3 365.813 3.392 20 0 FGADHM COC(=O)c1cc(-c2csc(NC(=O)c3ccc([O-])c(C)c3)n2)c[nH]1 ZINC000436897016 501229102 /nfs/dbraw/zinc/22/91/02/501229102.db2.gz PONXVJZTTITPNP-UHFFFAOYSA-N -1 3 357.391 3.191 20 0 FGADHM CCc1nnc([C@H](C)NC(=O)c2cc(Cc3ccccc3)ccc2[O-])[nH]1 ZINC000436915087 501231784 /nfs/dbraw/zinc/23/17/84/501231784.db2.gz OQXWFVBAZHJTGW-ZDUSSCGKSA-N -1 3 350.422 3.155 20 0 FGADHM CN(C)[C@@H](C[N-]S(=O)(=O)c1sccc1Cl)c1cccc(F)c1 ZINC000450992116 501237519 /nfs/dbraw/zinc/23/75/19/501237519.db2.gz YAYWAAINTZDEAO-ZDUSSCGKSA-N -1 3 362.879 3.122 20 0 FGADHM CCOc1nc2ccc(C(=O)Nc3ccc4nnc(C(C)C)n4c3)cc2[n-]1 ZINC000451005411 501238525 /nfs/dbraw/zinc/23/85/25/501238525.db2.gz XIPOASQGNWPINF-UHFFFAOYSA-N -1 3 364.409 3.380 20 0 FGADHM CCOc1nc2cc(C(=O)Nc3ccc4nnc(C(C)C)n4c3)ccc2[n-]1 ZINC000451005411 501238526 /nfs/dbraw/zinc/23/85/26/501238526.db2.gz XIPOASQGNWPINF-UHFFFAOYSA-N -1 3 364.409 3.380 20 0 FGADHM CC(C)([N-]S(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2)C(F)(F)F ZINC000451032962 501240694 /nfs/dbraw/zinc/24/06/94/501240694.db2.gz RNDRJVBZTGIGHJ-UHFFFAOYSA-N -1 3 358.341 3.025 20 0 FGADHM Cc1csc(S(=O)(=O)[N-]C2CCN(Cc3ccccc3C)CC2)c1 ZINC000451072480 501243448 /nfs/dbraw/zinc/24/34/48/501243448.db2.gz GHBJUOZUXRZLOF-UHFFFAOYSA-N -1 3 364.536 3.308 20 0 FGADHM Cc1csc(S(=O)(=O)[N-][C@H](c2ccc(F)cc2)[C@H]2CCCO2)c1 ZINC000451095167 501245174 /nfs/dbraw/zinc/24/51/74/501245174.db2.gz HZYJQYRGXNBTNP-GDBMZVCRSA-N -1 3 355.456 3.394 20 0 FGADHM CO[C@H](C[N-]S(=O)(=O)C[C@H]1CCCC1(F)F)c1ccc(Cl)cc1 ZINC000451242639 501254335 /nfs/dbraw/zinc/25/43/35/501254335.db2.gz JFVZMISJRLZMSS-TZMCWYRMSA-N -1 3 367.845 3.382 20 0 FGADHM CSC1(C[N-]S(=O)(=O)c2ccc3ccccc3c2F)CCOCC1 ZINC000451248297 501254583 /nfs/dbraw/zinc/25/45/83/501254583.db2.gz OLCPHJXJZPSKRM-UHFFFAOYSA-N -1 3 369.483 3.169 20 0 FGADHM CO[C@@H](C)c1nc(C[N-]S(=O)(=O)C[C@H]2CCCCC2(F)F)cs1 ZINC000451310050 501262076 /nfs/dbraw/zinc/26/20/76/501262076.db2.gz XHJHSWXJDDNCGD-WDEREUQCSA-N -1 3 368.471 3.095 20 0 FGADHM CCc1nc([N-]C(=O)c2cc(Br)co2)sc1C(=O)OC ZINC000457668621 501282385 /nfs/dbraw/zinc/28/23/85/501282385.db2.gz LNJDNIFAIJFIDC-UHFFFAOYSA-N -1 3 359.201 3.100 20 0 FGADHM CC1(C)CCC[C@](O)(C[N-]S(=O)(=O)C[C@@H]2CCCCC2(F)F)C1 ZINC000451434259 501292464 /nfs/dbraw/zinc/29/24/64/501292464.db2.gz HJCDJDQPTLPPLT-DZGCQCFKSA-N -1 3 353.475 3.063 20 0 FGADHM CC1(c2noc(-c3cc(S(=O)(=O)[N-]c4ccccc4F)c[nH]3)n2)CC1 ZINC000453317081 501314160 /nfs/dbraw/zinc/31/41/60/501314160.db2.gz INNKKHGIOKRDRY-UHFFFAOYSA-N -1 3 362.386 3.056 20 0 FGADHM CC[C@@H](C)N[C@@H](C[N-]S(=O)(=O)c1sccc1Cl)c1ccco1 ZINC000451541664 501317791 /nfs/dbraw/zinc/31/77/91/501317791.db2.gz ZSUFXZFAUWNLKU-PWSUYJOCSA-N -1 3 362.904 3.402 20 0 FGADHM CC[C@H](COCC(F)(F)F)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000451646503 501343125 /nfs/dbraw/zinc/34/31/25/501343125.db2.gz FSDGTNWHIIYQNZ-SSDOTTSWSA-N -1 3 351.799 3.037 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]CC(C)(C)c2ccccn2)c(Cl)cc1F ZINC000451672676 501347765 /nfs/dbraw/zinc/34/77/65/501347765.db2.gz PTXLKGCHFDSXEF-UHFFFAOYSA-N -1 3 356.850 3.439 20 0 FGADHM C[C@@H](CC(C)(C)O)[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000451763697 501367931 /nfs/dbraw/zinc/36/79/31/501367931.db2.gz KQWJKKHIPCQPJR-QMMMGPOBSA-N -1 3 359.797 3.187 20 0 FGADHM CC(C)[C@@H]1C[C@H](C[N-]S(=O)(=O)c2ccccc2C(F)(F)F)CCO1 ZINC000451820832 501379645 /nfs/dbraw/zinc/37/96/45/501379645.db2.gz FJABWVFRKFZGJA-OCCSQVGLSA-N -1 3 365.417 3.435 20 0 FGADHM Cn1c(=O)oc2cc(NC(=O)c3ccc4c(c3[O-])CCCC4)c(F)cc21 ZINC000458178742 501385838 /nfs/dbraw/zinc/38/58/38/501385838.db2.gz OCGPUZULOJNFGE-UHFFFAOYSA-N -1 3 356.353 3.107 20 0 FGADHM CCn1cc([C@H](C)[N-]S(=O)(=O)c2csc(-c3ccccc3)n2)cn1 ZINC000452006105 501417641 /nfs/dbraw/zinc/41/76/41/501417641.db2.gz NPAHZDSFYCRXPD-LBPRGKRZSA-N -1 3 362.480 3.066 20 0 FGADHM O=S(=O)([N-][C@@H](c1cccs1)C1(CO)CCC1)c1ccccc1F ZINC000452083541 501431328 /nfs/dbraw/zinc/43/13/28/501431328.db2.gz KCFXILPDNLYRNL-HNNXBMFYSA-N -1 3 355.456 3.069 20 0 FGADHM COc1ccc(N(CC2CC2)C(=O)c2cc(OC)c([O-])c(OC)c2)cc1 ZINC000456172725 501468737 /nfs/dbraw/zinc/46/87/37/501468737.db2.gz GECSJTFOJZHUIH-UHFFFAOYSA-N -1 3 357.406 3.475 20 0 FGADHM CCSCc1cc(C(=O)[N-]c2cc(F)c(OC)c(F)c2OC)no1 ZINC000456264730 501484200 /nfs/dbraw/zinc/48/42/00/501484200.db2.gz VWYSRBQALDBXQR-UHFFFAOYSA-N -1 3 358.366 3.475 20 0 FGADHM C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)N1C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000458672638 501503811 /nfs/dbraw/zinc/50/38/11/501503811.db2.gz YVMPLFFKTKQUDY-NTZNESFSSA-N -1 3 367.375 3.300 20 0 FGADHM C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)N1C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000458672638 501503813 /nfs/dbraw/zinc/50/38/13/501503813.db2.gz YVMPLFFKTKQUDY-NTZNESFSSA-N -1 3 367.375 3.300 20 0 FGADHM C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)N1C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000458672638 501503814 /nfs/dbraw/zinc/50/38/14/501503814.db2.gz YVMPLFFKTKQUDY-NTZNESFSSA-N -1 3 367.375 3.300 20 0 FGADHM Cc1nc(-c2ccc(NC(=O)N(C)[C@H](CO)CC(C)(C)C)cc2)cc(=O)[n-]1 ZINC000454317929 501512450 /nfs/dbraw/zinc/51/24/50/501512450.db2.gz INMRUIHSJKFZDK-INIZCTEOSA-N -1 3 372.469 3.418 20 0 FGADHM CC(C)c1ccc(C(=O)N2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)c([O-])c1 ZINC000452503182 501514929 /nfs/dbraw/zinc/51/49/29/501514929.db2.gz PPKAHGPNCGNMDS-RXVVDRJESA-N -1 3 357.425 3.456 20 0 FGADHM CC(C)(C)OC(=O)C1CN(C(=O)CCc2ccc3ccccc3c2[O-])C1 ZINC000452634041 501535675 /nfs/dbraw/zinc/53/56/75/501535675.db2.gz VIIRZQSDNXQHGC-UHFFFAOYSA-N -1 3 355.434 3.278 20 0 FGADHM COc1cc(C(=O)N[C@@H](CC(C)C)CN2CCCC2)cc(Cl)c1[O-] ZINC000452761272 501558288 /nfs/dbraw/zinc/55/82/88/501558288.db2.gz AFJOTLSLICKLEA-AWEZNQCLSA-N -1 3 354.878 3.295 20 0 FGADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@H](C)NC(=O)CC(C)(C)C ZINC000452758957 501558536 /nfs/dbraw/zinc/55/85/36/501558536.db2.gz SSUUWAIUCFGQDZ-JTQLQIEISA-N -1 3 371.275 3.343 20 0 FGADHM Cc1cc(C)n([C@@H](C)C(=O)Nc2c(C)c(Br)ccc2[O-])n1 ZINC000452760203 501558600 /nfs/dbraw/zinc/55/86/00/501558600.db2.gz VHWGZFDDEWTMRK-NSHDSACASA-N -1 3 352.232 3.476 20 0 FGADHM CO[C@H]1C[C@@H](N(C)C(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)C12CCC2 ZINC000456640217 501564205 /nfs/dbraw/zinc/56/42/05/501564205.db2.gz ODFVHQVPTAKPTN-CVEARBPZSA-N -1 3 358.413 3.005 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)NC[C@@H]3CCO[C@H](C(C)C)C3)c[n-]c12 ZINC000452855528 501575187 /nfs/dbraw/zinc/57/51/87/501575187.db2.gz WFXDKWQIBGFEDO-DYVFJYSZSA-N -1 3 360.429 3.157 20 0 FGADHM CC(C)(C)O[C@@H]1C[C@H](NC(=O)c2cc([O-])ccc2Cl)[C@@H]1n1cccn1 ZINC000456682315 501576012 /nfs/dbraw/zinc/57/60/12/501576012.db2.gz YOKJKKLUFXKHRT-XHSDSOJGSA-N -1 3 363.845 3.169 20 0 FGADHM Cc1nc2cc(NC(=O)Cc3ccc([O-])cc3Cl)ccc2n1[C@@H](C)CO ZINC000456730551 501587998 /nfs/dbraw/zinc/58/79/98/501587998.db2.gz UWSPYBDCEUHINJ-NSHDSACASA-N -1 3 373.840 3.438 20 0 FGADHM COCCN(Cc1ccc(F)c(Cl)c1)C(=O)c1ccc([O-])c(OC)c1 ZINC000456873879 501613133 /nfs/dbraw/zinc/61/31/33/501613133.db2.gz AZQYTVULJHAVHU-UHFFFAOYSA-N -1 3 367.804 3.482 20 0 FGADHM CC(C)c1ccc(C(=O)N(CCN2CCOCC2)Cc2ccco2)c([O-])c1 ZINC000456979134 501629013 /nfs/dbraw/zinc/62/90/13/501629013.db2.gz BBGDBZFYEOYZJC-UHFFFAOYSA-N -1 3 372.465 3.083 20 0 FGADHM CCOc1cc(CN2CCC(C(=O)N3CCCC3)CC2)cc(Cl)c1[O-] ZINC000459317196 501629557 /nfs/dbraw/zinc/62/95/57/501629557.db2.gz ZHHCZEQEHNOKHE-UHFFFAOYSA-N -1 3 366.889 3.279 20 0 FGADHM [O-]c1cccc(CN2CCCN(c3nccs3)CC2)c1Br ZINC000459331773 501632689 /nfs/dbraw/zinc/63/26/89/501632689.db2.gz WUEAXGXMHIMJDF-UHFFFAOYSA-N -1 3 368.300 3.324 20 0 FGADHM CC(C)(C)C[C@@H]1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])C1 ZINC000457004464 501633857 /nfs/dbraw/zinc/63/38/57/501633857.db2.gz CDABSBLVVGPAPE-RDJZCZTQSA-N -1 3 358.482 3.282 20 0 FGADHM Cc1cnn(CC2CCN(Cc3cc(=O)[n-]c(-c4ccccc4)n3)CC2)c1 ZINC000459353323 501637806 /nfs/dbraw/zinc/63/78/06/501637806.db2.gz RJVZCMPXOJGHLZ-UHFFFAOYSA-N -1 3 363.465 3.266 20 0 FGADHM Cn1cc([C@@H](NCc2cc(=O)[n-]c(-c3ccccc3)n2)C(C)(C)C)cn1 ZINC000459392439 501645720 /nfs/dbraw/zinc/64/57/20/501645720.db2.gz WJHQKOSULHZCBK-GOSISDBHSA-N -1 3 351.454 3.460 20 0 FGADHM Cc1cn2c(n1)[C@@H](CNCc1cccc([O-])c1Br)CCC2 ZINC000459424438 501651550 /nfs/dbraw/zinc/65/15/50/501651550.db2.gz QWOWXCKCCUZBKN-CYBMUJFWSA-N -1 3 350.260 3.327 20 0 FGADHM CN(C(=O)CNCc1cccc([O-])c1Br)C1CCCCC1 ZINC000459422549 501651636 /nfs/dbraw/zinc/65/16/36/501651636.db2.gz IHQIULWVCVFSLA-UHFFFAOYSA-N -1 3 355.276 3.035 20 0 FGADHM COc1ccc([O-])c(C(=O)N2CCC3(CC2)OCCc2ccccc23)c1 ZINC000457121072 501654317 /nfs/dbraw/zinc/65/43/17/501654317.db2.gz UIFUNVALIDJFMW-UHFFFAOYSA-N -1 3 353.418 3.105 20 0 FGADHM CC[C@H](C)n1[nH]c(=NC(=O)N=c2[nH][n-]c(-c3ccccc3)c2C)cc1C ZINC000459472251 501659219 /nfs/dbraw/zinc/65/92/19/501659219.db2.gz ASGGUARLIMTPPM-LBPRGKRZSA-N -1 3 352.442 3.349 20 0 FGADHM CCOc1cc(CN[C@H](CC(=O)NC)c2ccccc2)cc(Cl)c1[O-] ZINC000459504626 501665620 /nfs/dbraw/zinc/66/56/20/501665620.db2.gz DAWLVTVDACYWHR-MRXNPFEDSA-N -1 3 362.857 3.411 20 0 FGADHM C[C@@H]1C[C@@]2(CCO1)CN(Cc1cccc([O-])c1Br)C[C@H](C)O2 ZINC000459524076 501669694 /nfs/dbraw/zinc/66/96/94/501669694.db2.gz YVNYVBWPHPJMOQ-IGCXYCKISA-N -1 3 370.287 3.313 20 0 FGADHM CCOc1cc(CN2CCN(CC)[C@H](c3ncc[nH]3)C2)cc(Cl)c1[O-] ZINC000459534002 501671474 /nfs/dbraw/zinc/67/14/74/501671474.db2.gz UADSKYOKVSLVDN-HNNXBMFYSA-N -1 3 364.877 3.046 20 0 FGADHM [O-]c1cccc(CN2CC[C@](CO)(c3ccccc3)C2)c1Br ZINC000459558052 501676355 /nfs/dbraw/zinc/67/63/55/501676355.db2.gz MZFNMHSMIBTAEV-SFHVURJKSA-N -1 3 362.267 3.291 20 0 FGADHM [O-]c1cccc(CNC[C@]2(CO)C[C@@H]2c2ccccc2)c1Br ZINC000459559157 501676542 /nfs/dbraw/zinc/67/65/42/501676542.db2.gz HWJRMGNNXMYYGZ-QAPCUYQASA-N -1 3 362.267 3.411 20 0 FGADHM COCCN(Cc1ccccn1)Cc1cccc([O-])c1Br ZINC000459558847 501676724 /nfs/dbraw/zinc/67/67/24/501676724.db2.gz LQUKGDRTDOKSRY-UHFFFAOYSA-N -1 3 351.244 3.198 20 0 FGADHM CCOC(=O)[C@H](NCc1cc(=O)[n-]c(C2CC2)n1)c1ccc(Cl)cc1 ZINC000459606985 501685717 /nfs/dbraw/zinc/68/57/17/501685717.db2.gz OGPVUOULPBXQMP-MRXNPFEDSA-N -1 3 361.829 3.107 20 0 FGADHM COc1ccc(CN2CC3(CCC3)[C@H]3COC[C@H]32)c(Br)c1[O-] ZINC000459667471 501696188 /nfs/dbraw/zinc/69/61/88/501696188.db2.gz CPUYBWDKDMENIT-QWHCGFSZSA-N -1 3 368.271 3.164 20 0 FGADHM COc1ccc(CN[C@H]2C[C@@H](OC)C23CCC3)c(Br)c1[O-] ZINC000459795438 501715054 /nfs/dbraw/zinc/71/50/54/501715054.db2.gz VGLVCSCMAMESSZ-QWHCGFSZSA-N -1 3 356.260 3.211 20 0 FGADHM CC(C)COC1CCN(C(=O)Cc2ccc(Br)cc2[O-])CC1 ZINC000477613777 501738041 /nfs/dbraw/zinc/73/80/41/501738041.db2.gz CFASSAQAUJTGAV-UHFFFAOYSA-N -1 3 370.287 3.361 20 0 FGADHM Cc1ccccc1-c1cc(=NC(=O)[C@@H](O)Cc2c(F)cccc2Cl)[nH][n-]1 ZINC000477621064 501740703 /nfs/dbraw/zinc/74/07/03/501740703.db2.gz XZNHTTXXSRTNAU-KRWDZBQOSA-N -1 3 373.815 3.142 20 0 FGADHM Cc1ccc(Br)cc1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000607818609 506273955 /nfs/dbraw/zinc/27/39/55/506273955.db2.gz BACFAHJIJYBBIB-UHFFFAOYSA-N -1 3 358.199 3.190 20 0 FGADHM Cc1ccc(Br)cc1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000607818609 506273963 /nfs/dbraw/zinc/27/39/63/506273963.db2.gz BACFAHJIJYBBIB-UHFFFAOYSA-N -1 3 358.199 3.190 20 0 FGADHM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1ccc(O[C@@H]2CCOC2)cc1 ZINC000485396622 501808459 /nfs/dbraw/zinc/80/84/59/501808459.db2.gz XKPSNSBYDPRIFM-QGZVFWFLSA-N -1 3 365.426 3.411 20 0 FGADHM O=C(CCc1cccc2c1OCO2)Nc1cc(Br)ccc1[O-] ZINC000474378065 501812688 /nfs/dbraw/zinc/81/26/88/501812688.db2.gz XVSLCIRFQCURQI-UHFFFAOYSA-N -1 3 364.195 3.455 20 0 FGADHM COCc1nc(S[C@H](C(=O)Nc2cccc3ncccc32)C(C)C)n[n-]1 ZINC000474383821 501815724 /nfs/dbraw/zinc/81/57/24/501815724.db2.gz GDPJFEXAWGODSZ-INIZCTEOSA-N -1 3 371.466 3.255 20 0 FGADHM COCc1nc(SCC(=O)Nc2ccccc2-c2ccccc2)n[n-]1 ZINC000474387241 501816858 /nfs/dbraw/zinc/81/68/58/501816858.db2.gz FFTUWJAIGOBXRT-UHFFFAOYSA-N -1 3 354.435 3.349 20 0 FGADHM C[C@H](c1cccc(O)c1)N(C)C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000485425581 501817665 /nfs/dbraw/zinc/81/76/65/501817665.db2.gz GXUAAQNQLDFLIR-SNVBAGLBSA-N -1 3 358.344 3.345 20 0 FGADHM Cc1nc(CC[N-]S(=O)(=O)c2ccc(Cl)cc2Cl)cs1 ZINC000485425553 501817828 /nfs/dbraw/zinc/81/78/28/501817828.db2.gz GPHFSOZASCATNO-UHFFFAOYSA-N -1 3 351.280 3.279 20 0 FGADHM CC(C)Cn1cnc(S(=O)(=O)[N-][C@@H](C)c2cc3cccc(F)c3o2)c1 ZINC000474392143 501818117 /nfs/dbraw/zinc/81/81/17/501818117.db2.gz BMKSTOVQPMLFAI-LBPRGKRZSA-N -1 3 365.430 3.464 20 0 FGADHM O=S(=O)([N-]Cc1ccco1)c1cc(Cl)ccc1Br ZINC000485431302 501818484 /nfs/dbraw/zinc/81/84/84/501818484.db2.gz LBYNTMBNMFGULU-UHFFFAOYSA-N -1 3 350.621 3.174 20 0 FGADHM COCc1nc(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)n[n-]1 ZINC000474398303 501822308 /nfs/dbraw/zinc/82/23/08/501822308.db2.gz UOLCUARPDDGSFZ-UHFFFAOYSA-N -1 3 370.434 3.474 20 0 FGADHM CCOc1cc(Br)ccc1NC(=O)c1c[n-]c(C(=O)OC)c1 ZINC000477958450 501839731 /nfs/dbraw/zinc/83/97/31/501839731.db2.gz GCUDDRLIXVBTBG-UHFFFAOYSA-N -1 3 367.199 3.215 20 0 FGADHM O=C(CSCc1cccnc1)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1 ZINC000467714823 501852141 /nfs/dbraw/zinc/85/21/41/501852141.db2.gz RUDHIOOIMGMSHT-UHFFFAOYSA-N -1 3 360.389 3.044 20 0 FGADHM Cn1nc(C(C)(C)C)cc1C(=O)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1 ZINC000467718204 501853145 /nfs/dbraw/zinc/85/31/45/501853145.db2.gz MQKSVNPCPGTEIW-UHFFFAOYSA-N -1 3 359.380 3.060 20 0 FGADHM CC[C@H](C)C[C@@H](C)NC(=O)c1cc(C(C)C)nc2c1c(=O)[n-]c(=O)n2CC ZINC000463922433 501854606 /nfs/dbraw/zinc/85/46/06/501854606.db2.gz WANFMBIPSHANIQ-QWHCGFSZSA-N -1 3 374.485 3.195 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(CN(C)C)c(Cl)c2)c1 ZINC000478048077 501864144 /nfs/dbraw/zinc/86/41/44/501864144.db2.gz QAWVOAHFMPRMPR-UHFFFAOYSA-N -1 3 361.829 3.318 20 0 FGADHM CC[C@@H]([N-]S(=O)(=O)c1csc(-c2ccccc2)n1)C1CCOCC1 ZINC000467781346 501870949 /nfs/dbraw/zinc/87/09/49/501870949.db2.gz AMKXEEMHIPOALK-OAHLLOKOSA-N -1 3 366.508 3.294 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1Cl)[C@@H](c1ccccc1)N(C)C ZINC000474573385 501880602 /nfs/dbraw/zinc/88/06/02/501880602.db2.gz FUXDYJHILBRSSA-SJCJKPOMSA-N -1 3 370.877 3.449 20 0 FGADHM CCc1cc(C(=O)N2CCN(C(=O)CCC3CCCC3)CC2)ccc1[O-] ZINC000485629898 501881369 /nfs/dbraw/zinc/88/13/69/501881369.db2.gz RHONALBZXRKZQJ-UHFFFAOYSA-N -1 3 358.482 3.209 20 0 FGADHM CCCCc1nc(C(=O)OCC)c(NC(=O)c2ccc(OC)cc2F)[n-]1 ZINC000485670322 501894518 /nfs/dbraw/zinc/89/45/18/501894518.db2.gz QCAIHALNLXASIB-UHFFFAOYSA-N -1 3 363.389 3.329 20 0 FGADHM CCCCc1nc(NC(=O)c2ccc(OC)cc2F)c(C(=O)OCC)[n-]1 ZINC000485670322 501894521 /nfs/dbraw/zinc/89/45/21/501894521.db2.gz QCAIHALNLXASIB-UHFFFAOYSA-N -1 3 363.389 3.329 20 0 FGADHM CCCCc1nc(C(=O)OCC)c(NC(=O)c2cncc(OC(C)C)c2)[n-]1 ZINC000485670173 501894972 /nfs/dbraw/zinc/89/49/72/501894972.db2.gz LXQNEACQZHGYGW-UHFFFAOYSA-N -1 3 374.441 3.364 20 0 FGADHM CCCCc1nc(NC(=O)c2cncc(OC(C)C)c2)c(C(=O)OCC)[n-]1 ZINC000485670173 501894974 /nfs/dbraw/zinc/89/49/74/501894974.db2.gz LXQNEACQZHGYGW-UHFFFAOYSA-N -1 3 374.441 3.364 20 0 FGADHM CSc1cccc([C@H](NC(=O)c2c[n-]nn2)c2cc(F)ccc2F)c1 ZINC000464120934 501902482 /nfs/dbraw/zinc/90/24/82/501902482.db2.gz WPISJPWRCOILBS-INIZCTEOSA-N -1 3 360.389 3.324 20 0 FGADHM CSc1cccc([C@H](NC(=O)c2cnn[n-]2)c2cc(F)ccc2F)c1 ZINC000464120934 501902485 /nfs/dbraw/zinc/90/24/85/501902485.db2.gz WPISJPWRCOILBS-INIZCTEOSA-N -1 3 360.389 3.324 20 0 FGADHM CSc1cccc([C@H](NC(=O)c2cn[n-]n2)c2cc(F)ccc2F)c1 ZINC000464120934 501902492 /nfs/dbraw/zinc/90/24/92/501902492.db2.gz WPISJPWRCOILBS-INIZCTEOSA-N -1 3 360.389 3.324 20 0 FGADHM CN(C)CCN(C(=O)N=c1[n-]nc(-c2ccsc2)s1)C1CCCC1 ZINC000467905058 501902838 /nfs/dbraw/zinc/90/28/38/501902838.db2.gz ZFRKMAFIXMUHHU-UHFFFAOYSA-N -1 3 365.528 3.027 20 0 FGADHM Cc1ccc(-c2csc(NC(=O)CNC(=O)c3cccc([O-])c3)n2)cc1 ZINC000474641436 501905214 /nfs/dbraw/zinc/90/52/14/501905214.db2.gz YWYSZAKFAAJTIR-UHFFFAOYSA-N -1 3 367.430 3.193 20 0 FGADHM CCCCc1nc(C(=O)OCC)c(NC(=O)Cc2ccc3c(c2)CCO3)[n-]1 ZINC000485701528 501906518 /nfs/dbraw/zinc/90/65/18/501906518.db2.gz OEISPYKVXDKOKG-UHFFFAOYSA-N -1 3 371.437 3.045 20 0 FGADHM CCCCc1nc(NC(=O)Cc2ccc3c(c2)CCO3)c(C(=O)OCC)[n-]1 ZINC000485701528 501906520 /nfs/dbraw/zinc/90/65/20/501906520.db2.gz OEISPYKVXDKOKG-UHFFFAOYSA-N -1 3 371.437 3.045 20 0 FGADHM Cc1ccn(C)c(=O)c1[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000467938834 501910042 /nfs/dbraw/zinc/91/00/42/501910042.db2.gz OUJDWVLXXZVZEL-UHFFFAOYSA-N -1 3 362.838 3.301 20 0 FGADHM Cc1ccc2[nH]c(C[N-]S(=O)(=O)c3c(F)cccc3Cl)nc2c1 ZINC000464183700 501916401 /nfs/dbraw/zinc/91/64/01/501916401.db2.gz FKSGKVMOOUEHJH-UHFFFAOYSA-N -1 3 353.806 3.142 20 0 FGADHM Cc1ccc2nc(C[N-]S(=O)(=O)c3c(F)cccc3Cl)[nH]c2c1 ZINC000464183700 501916406 /nfs/dbraw/zinc/91/64/06/501916406.db2.gz FKSGKVMOOUEHJH-UHFFFAOYSA-N -1 3 353.806 3.142 20 0 FGADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)[C@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000481911008 501916962 /nfs/dbraw/zinc/91/69/62/501916962.db2.gz PFIAXILKUZEEOX-BQBZGAKWSA-N -1 3 362.714 3.036 20 0 FGADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)[C@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000481911008 501916966 /nfs/dbraw/zinc/91/69/66/501916966.db2.gz PFIAXILKUZEEOX-BQBZGAKWSA-N -1 3 362.714 3.036 20 0 FGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)[C@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000481911008 501916973 /nfs/dbraw/zinc/91/69/73/501916973.db2.gz PFIAXILKUZEEOX-BQBZGAKWSA-N -1 3 362.714 3.036 20 0 FGADHM CC(C)Cc1ccc(S(=O)(=O)[N-]c2ccncc2Br)cc1 ZINC000481962863 501930929 /nfs/dbraw/zinc/93/09/29/501930929.db2.gz QYNVJILHDXDTJO-UHFFFAOYSA-N -1 3 369.284 3.265 20 0 FGADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCO3)cc1Cl ZINC000481980416 501934628 /nfs/dbraw/zinc/93/46/28/501934628.db2.gz XJGMIBRDDHOBCI-UHFFFAOYSA-N -1 3 366.826 3.034 20 0 FGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(NC(C)=O)c(Cl)c1 ZINC000474726674 501935228 /nfs/dbraw/zinc/93/52/28/501935228.db2.gz PTNFCLFCPLUTGR-UHFFFAOYSA-N -1 3 366.830 3.077 20 0 FGADHM Cc1ccc([O-])c(CN[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)n1 ZINC000478298322 501935654 /nfs/dbraw/zinc/93/56/54/501935654.db2.gz HFFWZXFWNJBXMH-AWEZNQCLSA-N -1 3 366.248 3.298 20 0 FGADHM C[C@H](Oc1cccc(F)c1)C(=O)Nc1nnc(-c2c(F)cccc2F)[n-]1 ZINC000478316450 501940235 /nfs/dbraw/zinc/94/02/35/501940235.db2.gz SPECBUACXYRXIX-VIFPVBQESA-N -1 3 362.311 3.295 20 0 FGADHM C[C@H](Oc1cccc(F)c1)C(=O)Nc1nc(-c2c(F)cccc2F)n[n-]1 ZINC000478316450 501940241 /nfs/dbraw/zinc/94/02/41/501940241.db2.gz SPECBUACXYRXIX-VIFPVBQESA-N -1 3 362.311 3.295 20 0 FGADHM C[C@H](Oc1cccc(F)c1)C(=O)Nc1n[n-]c(-c2c(F)cccc2F)n1 ZINC000478316450 501940243 /nfs/dbraw/zinc/94/02/43/501940243.db2.gz SPECBUACXYRXIX-VIFPVBQESA-N -1 3 362.311 3.295 20 0 FGADHM CCOc1cc(Cl)ccc1C[N-]S(=O)(=O)c1cnc(CC)s1 ZINC000460909689 501956625 /nfs/dbraw/zinc/95/66/25/501956625.db2.gz PKDSYWXNBQVZGB-UHFFFAOYSA-N -1 3 360.888 3.236 20 0 FGADHM CCc1ncc(S(=O)(=O)[N-][C@H]2C[C@@H]2c2c(F)cccc2Cl)s1 ZINC000460942217 501964858 /nfs/dbraw/zinc/96/48/58/501964858.db2.gz XNDGIPSSPBCJPP-KWQFWETISA-N -1 3 360.863 3.332 20 0 FGADHM COCc1nc(CNC(=O)c2c[n-]nc2-c2ccc(Cl)s2)cs1 ZINC000460963267 501972730 /nfs/dbraw/zinc/97/27/30/501972730.db2.gz YZDYRNOJLAJXQV-UHFFFAOYSA-N -1 3 368.871 3.325 20 0 FGADHM CCCc1ccc(S(=O)(=O)[N-]c2cc3c(cc2F)CCC(=O)N3)cc1 ZINC000482103332 501976275 /nfs/dbraw/zinc/97/62/75/501976275.db2.gz MNVVBDCFIWAFEG-UHFFFAOYSA-N -1 3 362.426 3.464 20 0 FGADHM C[C@@H]1CCN(C(=O)N=c2cc3ccc(Br)cn3[n-]2)CC1(C)C ZINC000482103973 501976796 /nfs/dbraw/zinc/97/67/96/501976796.db2.gz NTGNJRWGHXNZIQ-LLVKDONJSA-N -1 3 365.275 3.419 20 0 FGADHM Cc1cccc2[nH]cc(CC[N-]S(=O)(=O)c3ccc(F)c(F)c3)c21 ZINC000485885128 501976790 /nfs/dbraw/zinc/97/67/90/501976790.db2.gz YZEHMFVTAPTHLW-UHFFFAOYSA-N -1 3 350.390 3.276 20 0 FGADHM COc1cccc2c(C(=O)Nc3cc(NC(C)=O)ccc3Cl)[n-]nc21 ZINC000485902650 501982602 /nfs/dbraw/zinc/98/26/02/501982602.db2.gz XIBKMZBMCLTUAC-UHFFFAOYSA-N -1 3 358.785 3.436 20 0 FGADHM COc1cccc2c(C(=O)Nc3cc(NC(C)=O)ccc3Cl)n[n-]c21 ZINC000485902650 501982603 /nfs/dbraw/zinc/98/26/03/501982603.db2.gz XIBKMZBMCLTUAC-UHFFFAOYSA-N -1 3 358.785 3.436 20 0 FGADHM C[C@@H]1CC2(CCC2)CN1C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482135362 501985381 /nfs/dbraw/zinc/98/53/81/501985381.db2.gz ZXIZTMOQPHAQQD-LLVKDONJSA-N -1 3 363.259 3.315 20 0 FGADHM COc1ccc2[nH]c(C(=O)Nc3nnc(-c4c(F)cccc4F)[n-]3)cc2c1 ZINC000471305981 501986037 /nfs/dbraw/zinc/98/60/37/501986037.db2.gz GVPWGTWYFSOBMW-UHFFFAOYSA-N -1 3 369.331 3.492 20 0 FGADHM 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361.417 3.120 20 0 FGADHM CCCCCC(=O)Nc1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1F ZINC000461472565 502127879 /nfs/dbraw/zinc/12/78/79/502127879.db2.gz WOYQOTLLYFBPID-UHFFFAOYSA-N -1 3 362.854 3.439 20 0 FGADHM O=C1N[C@@H](Cc2cccc3ccccc32)C(=O)N1Cc1ccc([O-])c(F)c1 ZINC000479040557 502145142 /nfs/dbraw/zinc/14/51/42/502145142.db2.gz HCWOYJDHEIKGOF-SFHVURJKSA-N -1 3 364.376 3.348 20 0 FGADHM Cn1c2cc([O-])c(NC(=O)c3ccc(C4=CCCC4)cc3)cc2n(C)c1=O ZINC000461613322 502153785 /nfs/dbraw/zinc/15/37/85/502153785.db2.gz LFAWFNXLFJVRPM-UHFFFAOYSA-N -1 3 363.417 3.402 20 0 FGADHM CC[C@H](C)[C@@H](C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C)c1ccccc1 ZINC000461619070 502155564 /nfs/dbraw/zinc/15/55/64/502155564.db2.gz QLFSPECHDKQUQF-ORAYPTAESA-N -1 3 367.449 3.351 20 0 FGADHM CC(C)[C@@H](C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C)c1ccc(F)cc1 ZINC000461627072 502158303 /nfs/dbraw/zinc/15/83/03/502158303.db2.gz NXQVOTMDBHLRIC-GOSISDBHSA-N -1 3 371.412 3.100 20 0 FGADHM Cn1c2cc([O-])c(NC(=O)c3ccc4sccc4c3)cc2n(C)c1=O ZINC000461634005 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CC(C)c1ccc(NC(=O)C(=O)NCc2ncccc2[O-])c(C(C)C)c1 ZINC000473059417 502511774 /nfs/dbraw/zinc/51/17/74/502511774.db2.gz PWABGBUBZIHDPL-UHFFFAOYSA-N -1 3 355.438 3.289 20 0 FGADHM O=C(Nc1ccccc1[O-])C1CCN(Cc2ncc(Cl)s2)CC1 ZINC000473125098 502522712 /nfs/dbraw/zinc/52/27/12/502522712.db2.gz DXKYWACHZYZNKG-UHFFFAOYSA-N -1 3 351.859 3.353 20 0 FGADHM Cc1cccc(NC(=O)c2ccccc2[N-]S(=O)(=O)N2CC[C@@H](C)C2)c1 ZINC000476626840 502543960 /nfs/dbraw/zinc/54/39/60/502543960.db2.gz LFZUDRNTABHPHT-OAHLLOKOSA-N -1 3 373.478 3.246 20 0 FGADHM COc1cccc(O[C@H](C)C[N-]S(=O)(=O)c2ccc(F)cc2Cl)c1 ZINC000462717668 502547055 /nfs/dbraw/zinc/54/70/55/502547055.db2.gz IJJABIDHSTWNBJ-LLVKDONJSA-N -1 3 373.833 3.234 20 0 FGADHM COc1cc(F)c(S(=O)(=O)[N-][C@@H]2CC[C@@H]3CCC[C@@H]3C2)cc1OC ZINC000462720041 502548554 /nfs/dbraw/zinc/54/85/54/502548554.db2.gz HZWAEYYBHQIPCS-YNEHKIRRSA-N -1 3 357.447 3.090 20 0 FGADHM CCOC(=O)c1c(C(C)C)csc1[N-]C(=O)C(=O)N1CC[C@@H](C)[C@H]1C ZINC000484040092 502555459 /nfs/dbraw/zinc/55/54/59/502555459.db2.gz HYGWJRUYWMCTIQ-VXGBXAGGSA-N -1 3 366.483 3.244 20 0 FGADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)NCCC3(C)CC3)cs2)c1 ZINC000473273813 502557141 /nfs/dbraw/zinc/55/71/41/502557141.db2.gz YEBUYYAXZQWSSV-UHFFFAOYSA-N -1 3 373.478 3.258 20 0 FGADHM COCCN(Cc1ccccc1)C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000484072652 502562987 /nfs/dbraw/zinc/56/29/87/502562987.db2.gz PAXFPQNFQIPYLJ-UHFFFAOYSA-N -1 3 372.371 3.095 20 0 FGADHM Cc1cc(NC(=O)NCc2ncccc2[O-])cnc1N1CCCC[C@@H]1C ZINC000469903516 502590780 /nfs/dbraw/zinc/59/07/80/502590780.db2.gz AXZXRLNXNVMJPU-AWEZNQCLSA-N -1 3 355.442 3.191 20 0 FGADHM O=C(NCc1ncccc1[O-])Nc1cc(F)c(Br)c(F)c1 ZINC000469904542 502591987 /nfs/dbraw/zinc/59/19/87/502591987.db2.gz FPMGNFOGRWRZEP-UHFFFAOYSA-N -1 3 358.142 3.150 20 0 FGADHM CCOc1ccccc1[C@@](N)(C(=O)Nc1ccccc1[O-])C(F)(F)F ZINC000484247521 502606361 /nfs/dbraw/zinc/60/63/61/502606361.db2.gz VMIUGNJJCWMKRG-MRXNPFEDSA-N -1 3 354.328 3.146 20 0 FGADHM C[C@@]1(C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)CCO[C@H]1C1CC1 ZINC000466559150 502607327 /nfs/dbraw/zinc/60/73/27/502607327.db2.gz MIHBPKZLCFWXAH-GJZGRUSLSA-N -1 3 364.294 3.477 20 0 FGADHM COCCC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000480632535 502627956 /nfs/dbraw/zinc/62/79/56/502627956.db2.gz SCUXNOZGGHKWSK-MRXNPFEDSA-N -1 3 368.886 3.051 20 0 FGADHM Cc1c(Br)c2ccccc2n1CC(=O)NCc1ncccc1[O-] ZINC000473627879 502659365 /nfs/dbraw/zinc/65/93/65/502659365.db2.gz CHYAKUICSVWKQX-UHFFFAOYSA-N -1 3 374.238 3.129 20 0 FGADHM CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-]c1ccc(C)cc1Cl ZINC000484517850 502659518 /nfs/dbraw/zinc/65/95/18/502659518.db2.gz UIMGMMZUUVTGJB-UHFFFAOYSA-N -1 3 357.815 3.391 20 0 FGADHM O=S(=O)([N-]Cc1cccc2cc[nH]c21)c1cnccc1C(F)(F)F ZINC000466743132 502661210 /nfs/dbraw/zinc/66/12/10/502661210.db2.gz LGKOKHGMDKIPDB-UHFFFAOYSA-N -1 3 355.341 3.060 20 0 FGADHM C[C@H](C(=O)NCc1ncccc1[O-])c1cccc(C(=O)c2ccccc2)c1 ZINC000473639345 502663137 /nfs/dbraw/zinc/66/31/37/502663137.db2.gz HSICGEKEYKQIQL-HNNXBMFYSA-N -1 3 360.413 3.438 20 0 FGADHM Cc1cc(C(=O)NCc2ncccc2[O-])ccc1NC(=O)c1cccs1 ZINC000473640355 502663342 /nfs/dbraw/zinc/66/33/42/502663342.db2.gz LDSCWFWAKDAUFP-UHFFFAOYSA-N -1 3 367.430 3.339 20 0 FGADHM Cc1[nH]c2ccc(Br)cc2c1CC(=O)NCc1ncccc1[O-] ZINC000473640412 502663572 /nfs/dbraw/zinc/66/35/72/502663572.db2.gz LROSPAUANPQROJ-UHFFFAOYSA-N -1 3 374.238 3.198 20 0 FGADHM COCc1n[n-]c(=NCC2CCN(Cc3ccccc3Cl)CC2)s1 ZINC000477104467 502678611 /nfs/dbraw/zinc/67/86/11/502678611.db2.gz YAYJQCUYSISEJF-UHFFFAOYSA-N -1 3 366.918 3.084 20 0 FGADHM CC(C)n1cc2c(n1)C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)CC2 ZINC000480829979 502681892 /nfs/dbraw/zinc/68/18/92/502681892.db2.gz OQYSDKISPATKIL-CYBMUJFWSA-N -1 3 371.865 3.092 20 0 FGADHM C/C=C\C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)C(=O)OCC ZINC000477135491 502687411 /nfs/dbraw/zinc/68/74/11/502687411.db2.gz JWPISHYZLUJVEQ-MZBZXASESA-N -1 3 366.266 3.170 20 0 FGADHM C[C@H]1CN(C2CC2)C[C@@H]1[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000480859171 502691073 /nfs/dbraw/zinc/69/10/73/502691073.db2.gz WMZRUZJNLPRCBH-SJCJKPOMSA-N -1 3 364.898 3.254 20 0 FGADHM CC(C)(C)N=c1[n-]nc(Cc2c[nH]c3ccccc23)n1C[C@@H]1CCOC1 ZINC000463112689 502700199 /nfs/dbraw/zinc/70/01/99/502700199.db2.gz VPOXOVCVJQFXIL-AWEZNQCLSA-N -1 3 353.470 3.019 20 0 FGADHM O=C(Cc1ccc(Br)cc1[O-])N1CCC[C@H]1c1ccncc1 ZINC000477187526 502703247 /nfs/dbraw/zinc/70/32/47/502703247.db2.gz CCEMOACMPQVULI-HNNXBMFYSA-N -1 3 361.239 3.456 20 0 FGADHM CO[C@H](C[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1)C(C)C ZINC000466858722 502705060 /nfs/dbraw/zinc/70/50/60/502705060.db2.gz KGWKIUHUJYHWCG-CYBMUJFWSA-N -1 3 374.915 3.413 20 0 FGADHM CC(C)c1cc(C(=O)[N-]c2nc(-c3ccccc3)no2)nn1C(C)(C)C ZINC000588761437 506329334 /nfs/dbraw/zinc/32/93/34/506329334.db2.gz RHIPXXPVPPLHLZ-UHFFFAOYSA-N -1 3 353.426 3.486 20 0 FGADHM CSc1ccc(F)cc1C[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000466865382 502707434 /nfs/dbraw/zinc/70/74/34/502707434.db2.gz OAZGECUQBJYDGZ-UHFFFAOYSA-N -1 3 365.373 3.443 20 0 FGADHM CC(C)Cn1ncc(NC(=O)NCc2nnc(C(F)(F)F)[n-]2)c1C(C)C ZINC000480952541 502712387 /nfs/dbraw/zinc/71/23/87/502712387.db2.gz NENRUWCVBQFQSI-UHFFFAOYSA-N -1 3 373.383 3.121 20 0 FGADHM CC(C)Cn1ncc(NC(=O)NCc2n[n-]c(C(F)(F)F)n2)c1C(C)C ZINC000480952541 502712393 /nfs/dbraw/zinc/71/23/93/502712393.db2.gz NENRUWCVBQFQSI-UHFFFAOYSA-N -1 3 373.383 3.121 20 0 FGADHM CC(C)Cn1ncc(NC(=O)NCc2nc(C(F)(F)F)n[n-]2)c1C(C)C ZINC000480952541 502712398 /nfs/dbraw/zinc/71/23/98/502712398.db2.gz NENRUWCVBQFQSI-UHFFFAOYSA-N -1 3 373.383 3.121 20 0 FGADHM CCN=c1[n-]c(C(=O)N[C@@H](CCc2ccccc2)C(F)(F)F)cs1 ZINC000484720151 502719393 /nfs/dbraw/zinc/71/93/93/502719393.db2.gz RMOWDODQDBJNJJ-ZDUSSCGKSA-N -1 3 357.401 3.290 20 0 FGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]CC1(OC)CCC(C)CC1 ZINC000480991085 502721494 /nfs/dbraw/zinc/72/14/94/502721494.db2.gz RRUXAYNEDCWELO-UHFFFAOYSA-N -1 3 361.891 3.222 20 0 FGADHM CCS[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)cn2)C1 ZINC000480993362 502723195 /nfs/dbraw/zinc/72/31/95/502723195.db2.gz WZOFYKQSNPKXKI-VXGBXAGGSA-N -1 3 368.446 3.443 20 0 FGADHM C[C@H](C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1)c1ccc(Br)cc1 ZINC000473851492 502725233 /nfs/dbraw/zinc/72/52/33/502725233.db2.gz CAELNHOTPRZDJH-IINYFYTJSA-N -1 3 364.243 3.188 20 0 FGADHM CCCOc1ccc(C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)cc1OCC ZINC000473854269 502726342 /nfs/dbraw/zinc/72/63/42/502726342.db2.gz JOGOLRDAJXPSAY-HNNXBMFYSA-N -1 3 359.426 3.123 20 0 FGADHM COc1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)[C@@H]2CCCO2)c(F)c1 ZINC000481006421 502726379 /nfs/dbraw/zinc/72/63/79/502726379.db2.gz BPUGGBCCYVRAGU-WMZOPIPTSA-N -1 3 365.426 3.033 20 0 FGADHM CCC(CC)N(CCOC)C(=O)Cc1ccc(Br)cc1[O-] ZINC000477281543 502728102 /nfs/dbraw/zinc/72/81/02/502728102.db2.gz VDYIGPMEJMSWFD-UHFFFAOYSA-N -1 3 358.276 3.361 20 0 FGADHM Cc1cc(S(=O)(=O)[N-][C@H]2CCc3cn(C(C)C)nc3C2)sc1Cl ZINC000473860712 502730147 /nfs/dbraw/zinc/73/01/47/502730147.db2.gz HAKXSUGNWWTVFX-LBPRGKRZSA-N -1 3 373.931 3.323 20 0 FGADHM CC(C)(C)OC(=O)CCC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000466931380 502731817 /nfs/dbraw/zinc/73/18/17/502731817.db2.gz ULORMILDQMHGOW-UHFFFAOYSA-N -1 3 368.282 3.394 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]Cc2ccc(-c3ccncc3)cc2)c(F)c1 ZINC000481045589 502739497 /nfs/dbraw/zinc/73/94/97/502739497.db2.gz GJTQXWDOTAPABN-UHFFFAOYSA-N -1 3 372.421 3.375 20 0 FGADHM CCS[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)C1 ZINC000484791282 502741299 /nfs/dbraw/zinc/74/12/99/502741299.db2.gz XDOCHXWUDMDVNP-NXEZZACHSA-N -1 3 353.431 3.447 20 0 FGADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3ccnc(OC(C)C)c3)cc2)n1 ZINC000470356862 502748423 /nfs/dbraw/zinc/74/84/23/502748423.db2.gz WBZFKUMYOHJFSC-UHFFFAOYSA-N -1 3 364.405 3.180 20 0 FGADHM Cc1nc(S(=O)(=O)[N-][C@H](C)[C@H](c2ccccc2C)N(C)C)sc1C ZINC000473943102 502757412 /nfs/dbraw/zinc/75/74/12/502757412.db2.gz WJXDIYODDLOKPS-CZUORRHYSA-N -1 3 367.540 3.038 20 0 FGADHM CC1CCC(C)(CNC(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)CC1 ZINC000477393338 502762870 /nfs/dbraw/zinc/76/28/70/502762870.db2.gz NZUKRINWBHFAFV-UHFFFAOYSA-N -1 3 356.463 3.143 20 0 FGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]c1c(C)ccn(C)c1=O ZINC000470445567 502778130 /nfs/dbraw/zinc/77/81/30/502778130.db2.gz WLPSPUKARBDQPX-UHFFFAOYSA-N -1 3 366.826 3.203 20 0 FGADHM C[C@@H](NC(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1)[C@H](C)C1CCCCC1 ZINC000481194524 502780022 /nfs/dbraw/zinc/78/00/22/502780022.db2.gz WFELPVSKFJQCLQ-MJBXVCDLSA-N -1 3 372.556 3.136 20 0 FGADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)Nc1cccc(CC(F)(F)F)c1 ZINC000481241281 502794926 /nfs/dbraw/zinc/79/49/26/502794926.db2.gz KJUAQAHASGCHQF-UHFFFAOYSA-N -1 3 367.253 3.250 20 0 FGADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)Nc1cccc(CC(F)(F)F)c1 ZINC000481241281 502794929 /nfs/dbraw/zinc/79/49/29/502794929.db2.gz KJUAQAHASGCHQF-UHFFFAOYSA-N -1 3 367.253 3.250 20 0 FGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)Nc1cccc(CC(F)(F)F)c1 ZINC000481241281 502794934 /nfs/dbraw/zinc/79/49/34/502794934.db2.gz KJUAQAHASGCHQF-UHFFFAOYSA-N -1 3 367.253 3.250 20 0 FGADHM COC(=O)[C@@H](CS(=O)(=O)[N-]c1ccc2[nH]c(C)cc2c1)c1ccccc1 ZINC000477526863 502798654 /nfs/dbraw/zinc/79/86/54/502798654.db2.gz OTYSRRZOPVLRNG-KRWDZBQOSA-N -1 3 372.446 3.175 20 0 FGADHM CCn1cnc(S(=O)(=O)[N-]C(C)(C)c2cccc(C(F)(F)F)c2)c1 ZINC000474102214 502810009 /nfs/dbraw/zinc/81/00/09/502810009.db2.gz YVLACWBYZZLMNP-UHFFFAOYSA-N -1 3 361.389 3.135 20 0 FGADHM Cc1csc([C@H]([N-]S(=O)(=O)c2ccc3ncccc3c2)C2CC2)n1 ZINC000474107933 502811105 /nfs/dbraw/zinc/81/11/05/502811105.db2.gz SQOXYUGMIRBBRJ-MRXNPFEDSA-N -1 3 359.476 3.429 20 0 FGADHM O=C(Nc1nnc(-c2cc3ccccc3o2)[n-]1)c1ccc(N2CCCC2)nc1 ZINC000485107084 502815749 /nfs/dbraw/zinc/81/57/49/502815749.db2.gz MWDIHBGMHCECRN-UHFFFAOYSA-N -1 3 374.404 3.465 20 0 FGADHM O=C(Nc1nc(-c2cc3ccccc3o2)n[n-]1)c1ccc(N2CCCC2)nc1 ZINC000485107084 502815750 /nfs/dbraw/zinc/81/57/50/502815750.db2.gz MWDIHBGMHCECRN-UHFFFAOYSA-N -1 3 374.404 3.465 20 0 FGADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)c1ccc(N2CCCC2)nc1 ZINC000485107084 502815752 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CCOC(=O)c1[n-]c(C)nc1NC(=O)[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000591286936 507187129 /nfs/dbraw/zinc/18/71/29/507187129.db2.gz LBPREQDIGMJXJJ-CYBMUJFWSA-N -1 3 357.410 3.178 20 0 FGADHM CCOC(=O)c1nc(C)[n-]c1NC(=O)[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000591286936 507187137 /nfs/dbraw/zinc/18/71/37/507187137.db2.gz LBPREQDIGMJXJJ-CYBMUJFWSA-N -1 3 357.410 3.178 20 0 FGADHM CCCSC[C@@H](NCc1cc(OC)cc(C(F)(F)F)c1)C(=O)[O-] ZINC000600941782 507202365 /nfs/dbraw/zinc/20/23/65/507202365.db2.gz JLTAJNFWJDCHLG-CYBMUJFWSA-N -1 3 351.390 3.400 20 0 FGADHM COc1ccc([N-]S(=O)(=O)c2cc3c(c(Cl)c2)O[C@H](C)C3)cc1 ZINC000605493151 507215287 /nfs/dbraw/zinc/21/52/87/507215287.db2.gz WNSZYPVJSYKITG-SNVBAGLBSA-N -1 3 353.827 3.473 20 0 FGADHM COc1c(Cl)cc(NC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)cc1Cl ZINC000591453898 507256955 /nfs/dbraw/zinc/25/69/55/507256955.db2.gz YBSIPQIWXWLVGQ-UHFFFAOYSA-N -1 3 365.172 3.138 20 0 FGADHM CC(C)c1cc(C(=O)Nc2cc(I)ccc2[O-])on1 ZINC000610486186 507257681 /nfs/dbraw/zinc/25/76/81/507257681.db2.gz OOKXMJRNFGMXAJ-UHFFFAOYSA-N -1 3 372.162 3.361 20 0 FGADHM O=C(Nc1cc(I)ccc1[O-])c1cccc(F)c1 ZINC000610486007 507258241 /nfs/dbraw/zinc/25/82/41/507258241.db2.gz KQPBIWBPABTCIV-UHFFFAOYSA-N -1 3 357.122 3.388 20 0 FGADHM CC(C)(O)COc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000605613923 507259789 /nfs/dbraw/zinc/25/97/89/507259789.db2.gz RDEQUNZGTDYSSR-UHFFFAOYSA-N -1 3 355.843 3.291 20 0 FGADHM CS(=O)(=O)[N-]c1ccc(C(=O)NC[C@@H]2CCC[C@H]2c2ccccc2)cc1 ZINC000584332894 507285701 /nfs/dbraw/zinc/28/57/01/507285701.db2.gz RJNYOUVFQXQMIT-HKUYNNGSSA-N -1 3 372.490 3.372 20 0 FGADHM CSCC1(CC[N-]S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000594819982 507289698 /nfs/dbraw/zinc/28/96/98/507289698.db2.gz PBJQYIJTOUHNEJ-UHFFFAOYSA-N -1 3 370.359 3.322 20 0 FGADHM COc1ccccc1-c1cc(=NC(=O)COc2cccc(Cl)c2C)[nH][n-]1 ZINC000605883133 507292730 /nfs/dbraw/zinc/29/27/30/507292730.db2.gz SRMFNOLWOJIIIR-UHFFFAOYSA-N -1 3 371.824 3.487 20 0 FGADHM COC(=O)c1cc(S(=O)(=O)[N-]CCC(C)(C)c2ccccc2)oc1C ZINC000610573895 507297016 /nfs/dbraw/zinc/29/70/16/507297016.db2.gz ICDHGMAPUJPBJS-UHFFFAOYSA-N -1 3 365.451 3.021 20 0 FGADHM CCc1ccc([C@@H]2CN(C(=O)c3ccc4[nH][n-]c(=O)c4c3)CCO2)cc1 ZINC000613925570 507303076 /nfs/dbraw/zinc/30/30/76/507303076.db2.gz QHBSRYYKOMLLAJ-SFHVURJKSA-N -1 3 351.406 3.045 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]c2ccc(OC[C@H]3CCCO3)cc2)ccc1F ZINC000591797404 507362977 /nfs/dbraw/zinc/36/29/77/507362977.db2.gz ZIIKKFSDTOUWNH-MRXNPFEDSA-N -1 3 365.426 3.493 20 0 FGADHM CCOC(=O)c1c(CC)c(C)sc1NC(=O)c1ccc2n[n-]nc2c1 ZINC000591888334 507396773 /nfs/dbraw/zinc/39/67/73/507396773.db2.gz JCPMRSCFZYXJJJ-UHFFFAOYSA-N -1 3 358.423 3.319 20 0 FGADHM COC(=O)CCSc1cc(Cl)ccc1[N-]C(=O)c1nccc(C)n1 ZINC000601703015 507433232 /nfs/dbraw/zinc/43/32/32/507433232.db2.gz FQKLJYXKQYMTQO-UHFFFAOYSA-N -1 3 365.842 3.346 20 0 FGADHM Cc1ccc2[n-]cc(C(=O)N3CCCC[C@@H]3[C@@H]3CCCC[C@@H]3O)c(=O)c2c1 ZINC000614314246 507454193 /nfs/dbraw/zinc/45/41/93/507454193.db2.gz BZCQVDIYBYDGTF-BEVDRBHNSA-N -1 3 368.477 3.382 20 0 FGADHM CC1(Cc2noc(-c3ccc(F)c([N-]S(C)(=O)=O)c3)n2)CCCC1 ZINC000584748331 507481941 /nfs/dbraw/zinc/48/19/41/507481941.db2.gz RVKAIKDBIHEZLX-UHFFFAOYSA-N -1 3 353.419 3.370 20 0 FGADHM O=S(=O)([N-][C@H]([C@@H](CO)C1CC1)C1CC1)c1ccc(Cl)c(Cl)c1 ZINC000584820732 507522687 /nfs/dbraw/zinc/52/26/87/507522687.db2.gz VJXMJPAYLRXEQS-WFASDCNBSA-N -1 3 364.294 3.069 20 0 FGADHM CC(=O)N1CCN(c2cccc(NC(=O)c3ccc([O-])c(C)c3)c2C)C1=O ZINC000614462832 507523900 /nfs/dbraw/zinc/52/39/00/507523900.db2.gz BLDMAPASEYNWPH-UHFFFAOYSA-N -1 3 367.405 3.050 20 0 FGADHM CCOC(=O)C1CCC(NC(=O)c2cc([O-])cc(C(F)(F)F)c2)CC1 ZINC000598670924 507543914 /nfs/dbraw/zinc/54/39/14/507543914.db2.gz JCWUMFPGBPOVBG-UHFFFAOYSA-N -1 3 359.344 3.263 20 0 FGADHM Cc1cccc(N(C)C(=O)c2cnc3ccc(Br)cc3c2[O-])n1 ZINC000584878159 507554436 /nfs/dbraw/zinc/55/44/36/507554436.db2.gz IVEZVSZYBQPGFF-UHFFFAOYSA-N -1 3 372.222 3.271 20 0 FGADHM COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)C1 ZINC000598695805 507556937 /nfs/dbraw/zinc/55/69/37/507556937.db2.gz MMDAXIRQIHTRNA-GFCCVEGCSA-N -1 3 373.371 3.462 20 0 FGADHM COC(=O)c1sc([N-]C(=O)c2ncnc3ccsc32)nc1C(C)C ZINC000598738511 507574791 /nfs/dbraw/zinc/57/47/91/507574791.db2.gz NIQYVPUDRZLNOR-UHFFFAOYSA-N -1 3 362.436 3.310 20 0 FGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)c1ccc(CN(CC)CC)o1 ZINC000611324466 507623564 /nfs/dbraw/zinc/62/35/64/507623564.db2.gz VODIBIXOIQFISB-UHFFFAOYSA-N -1 3 363.414 3.101 20 0 FGADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)[C@H](SCc1ccccc1)C(C)C)C2 ZINC000602193608 507623747 /nfs/dbraw/zinc/62/37/47/507623747.db2.gz HOYJWVKPSKHVHO-QGZVFWFLSA-N -1 3 357.479 3.291 20 0 FGADHM COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)c2cc3c(cc2[O-])CCCC3)C1 ZINC000611333761 507625849 /nfs/dbraw/zinc/62/58/49/507625849.db2.gz JHZPZQJQJCYZCU-MRXNPFEDSA-N -1 3 359.466 3.322 20 0 FGADHM C[C@H]1CN(C(=O)NCc2ccc([O-])c(F)c2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000602260526 507645933 /nfs/dbraw/zinc/64/59/33/507645933.db2.gz LQTLLSZCCHEDLW-JSGCOSHPSA-N -1 3 366.433 3.041 20 0 FGADHM CCCc1ccc(-c2cc(=NC(=O)c3cn(CCC(C)C)nn3)[nH][n-]2)cc1 ZINC000607189737 507649345 /nfs/dbraw/zinc/64/93/45/507649345.db2.gz ZZMCYIMWTOINGB-UHFFFAOYSA-N -1 3 366.469 3.341 20 0 FGADHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(NC(C)=O)c2C)cc1C ZINC000614782261 507650548 /nfs/dbraw/zinc/65/05/48/507650548.db2.gz YNSIKECXZXFAEJ-UHFFFAOYSA-N -1 3 362.451 3.380 20 0 FGADHM C[C@@H](NC(=O)C1CC2(C1)CCCCC2)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000614821059 507665424 /nfs/dbraw/zinc/66/54/24/507665424.db2.gz DYOABUAHUPHWOA-UONOGXRCSA-N -1 3 359.470 3.227 20 0 FGADHM C[C@H](CSCCNCc1cc(F)ccc1Br)C(=O)[O-] ZINC000592462296 507665577 /nfs/dbraw/zinc/66/55/77/507665577.db2.gz SHYJCLMCFBLDJN-SECBINFHSA-N -1 3 350.253 3.132 20 0 FGADHM C[C@@H](CSCCNCc1cc(Br)ccc1F)C(=O)[O-] ZINC000592462618 507665635 /nfs/dbraw/zinc/66/56/35/507665635.db2.gz YLTLMTNGPBIREG-VIFPVBQESA-N -1 3 350.253 3.132 20 0 FGADHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)c1ccc(C(F)F)cc1 ZINC000614821651 507666118 /nfs/dbraw/zinc/66/61/18/507666118.db2.gz IXWZQWYHSGPPGB-MNOVXSKESA-N -1 3 363.364 3.118 20 0 FGADHM C[C@H](NC(=O)c1ccc(C2CC2)cc1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000614824842 507667407 /nfs/dbraw/zinc/66/74/07/507667407.db2.gz WGGSKNPMMYCFQO-STQMWFEESA-N -1 3 353.422 3.058 20 0 FGADHM CCc1ccnc(C(=O)Nc2cc(I)ccc2[O-])c1 ZINC000611406944 507667980 /nfs/dbraw/zinc/66/79/80/507667980.db2.gz GWTQEXPWUKZFJB-UHFFFAOYSA-N -1 3 368.174 3.207 20 0 FGADHM Cc1nc(C(C)C)ccc1C(=O)N[C@H](C)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000614827170 507668071 /nfs/dbraw/zinc/66/80/71/507668071.db2.gz YXHNWJKDHMUOAN-CHWSQXEVSA-N -1 3 370.453 3.007 20 0 FGADHM COC(=O)c1cc(C(=O)[N-]c2nc3ccccc3n2C2CCCC2)on1 ZINC000611487751 507704309 /nfs/dbraw/zinc/70/43/09/507704309.db2.gz CQHVRBYZNHNMME-UHFFFAOYSA-N -1 3 354.366 3.178 20 0 FGADHM COc1ccc(CN(C(=O)Cc2cncc([O-])c2)[C@H](C)C2CC2)c(OC)c1 ZINC000615014599 507722518 /nfs/dbraw/zinc/72/25/18/507722518.db2.gz KHPVQGFTSZLBRK-CQSZACIVSA-N -1 3 370.449 3.174 20 0 FGADHM Cn1c2cc([O-])c(NC(=O)[C@H]3CC[C@H](C4CCC4)CC3)cc2n(C)c1=O ZINC000615064265 507738544 /nfs/dbraw/zinc/73/85/44/507738544.db2.gz VMMVQSGPZNLFAB-HDJSIYSDSA-N -1 3 357.454 3.128 20 0 FGADHM CC(C)(C)C[C@H](O)CC(=O)Nc1nnc(-c2ccc3ccccc3n2)[n-]1 ZINC000615119625 507759421 /nfs/dbraw/zinc/75/94/21/507759421.db2.gz MUDJNLJKKFSPIK-CYBMUJFWSA-N -1 3 353.426 3.146 20 0 FGADHM CC(C)(C)C[C@H](O)CC(=O)Nc1nc(-c2ccc3ccccc3n2)n[n-]1 ZINC000615119625 507759425 /nfs/dbraw/zinc/75/94/25/507759425.db2.gz MUDJNLJKKFSPIK-CYBMUJFWSA-N -1 3 353.426 3.146 20 0 FGADHM CC(C)(C)C[C@H](O)CC(=O)Nc1n[n-]c(-c2ccc3ccccc3n2)n1 ZINC000615119625 507759429 /nfs/dbraw/zinc/75/94/29/507759429.db2.gz MUDJNLJKKFSPIK-CYBMUJFWSA-N -1 3 353.426 3.146 20 0 FGADHM COC(=O)c1cc(Cl)cc(NC(=O)Cc2ccc(F)c(F)c2)c1[O-] ZINC000588096683 507759483 /nfs/dbraw/zinc/75/94/83/507759483.db2.gz LIALXXILWPFXNE-UHFFFAOYSA-N -1 3 355.724 3.292 20 0 FGADHM COC(=O)c1cc(Cl)cc(NC(=O)CCCOc2cccnc2)c1[O-] ZINC000588095132 507760440 /nfs/dbraw/zinc/76/04/40/507760440.db2.gz DOVIOUUBVWDTKY-UHFFFAOYSA-N -1 3 364.785 3.025 20 0 FGADHM COC(=O)c1cc(Cl)cc(NC(=O)c2coc(C3CCC3)n2)c1[O-] ZINC000588098569 507761148 /nfs/dbraw/zinc/76/11/48/507761148.db2.gz VWGUUFKTIYATMM-UHFFFAOYSA-N -1 3 350.758 3.340 20 0 FGADHM COC(=O)c1cc(Cl)cc([N-]C(=O)c2coc(C3CCC3)n2)c1O ZINC000588098569 507761150 /nfs/dbraw/zinc/76/11/50/507761150.db2.gz VWGUUFKTIYATMM-UHFFFAOYSA-N -1 3 350.758 3.340 20 0 FGADHM COC(=O)c1cc(Cl)cc(NC(=O)c2ncccc2C(F)(F)F)c1[O-] ZINC000588099186 507761375 /nfs/dbraw/zinc/76/13/75/507761375.db2.gz KIYSINBWSYUJRZ-UHFFFAOYSA-N -1 3 374.702 3.498 20 0 FGADHM COC(=O)c1cc(Cl)cc(NC(=O)CCc2c(C)noc2C)c1[O-] ZINC000588097437 507761442 /nfs/dbraw/zinc/76/14/42/507761442.db2.gz NEAQIGLOYOUWDZ-UHFFFAOYSA-N -1 3 352.774 3.008 20 0 FGADHM COC(=O)c1cc(Cl)cc(NC(=O)Cc2cc(F)ccc2OC)c1[O-] ZINC000588100322 507762530 /nfs/dbraw/zinc/76/25/30/507762530.db2.gz YMEGQAPAPDTIDX-UHFFFAOYSA-N -1 3 367.760 3.161 20 0 FGADHM COC(=O)c1cc(Cl)cc(NC(=O)c2sccc2CN(C)C)c1[O-] ZINC000588099934 507762591 /nfs/dbraw/zinc/76/25/91/507762591.db2.gz HEHSMNZOIKPGAT-UHFFFAOYSA-N -1 3 368.842 3.208 20 0 FGADHM CCCS(=O)(=O)[N-]c1cc(NC(=O)[C@@H](C)c2ccco2)c(F)cc1F ZINC000607641255 507781891 /nfs/dbraw/zinc/78/18/91/507781891.db2.gz VYLNDIANRDAOCL-JTQLQIEISA-N -1 3 372.393 3.452 20 0 FGADHM Cc1ccccc1[C@@H]([C@H](C)NC(=O)N=c1ncn(C(C)(C)C)[n-]1)N(C)C ZINC000480318044 514918766 /nfs/dbraw/zinc/91/87/66/514918766.db2.gz IULLECRFQXXCJH-GOEBONIOSA-N -1 3 358.490 3.154 20 0 FGADHM O=C(COC(F)F)N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1 ZINC000509068640 515009216 /nfs/dbraw/zinc/00/92/16/515009216.db2.gz ILRYIKDSZFVVJR-UHFFFAOYSA-N -1 3 364.121 3.156 20 0 FGADHM CCC[C@@H](NC(C)C)C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000509083576 515015594 /nfs/dbraw/zinc/01/55/94/515015594.db2.gz RVPOJZGSVUQABE-CYBMUJFWSA-N -1 3 353.264 3.202 20 0 FGADHM Cn1[n-]c(=NC(=O)c2cnc(-c3ccccc3)s2)cc1OC(F)F ZINC000490927217 515334242 /nfs/dbraw/zinc/33/42/42/515334242.db2.gz NONYTQMGHVNJSW-UHFFFAOYSA-N -1 3 350.350 3.397 20 0 FGADHM Cn1[n-]c(=NC(=O)c2cc(F)ccc2Br)cc1OC(F)F ZINC000490937407 515337121 /nfs/dbraw/zinc/33/71/21/515337121.db2.gz CGOSSNHNRPFPID-UHFFFAOYSA-N -1 3 364.121 3.175 20 0 FGADHM COc1ccccc1CC(C)(C)C(=O)N=c1cc(OC(F)F)n(C)[n-]1 ZINC000490941278 515338145 /nfs/dbraw/zinc/33/81/45/515338145.db2.gz ISLQQUSAGGSINL-UHFFFAOYSA-N -1 3 353.369 3.238 20 0 FGADHM Cn1[n-]c(=NC(=O)c2cccc(OCc3cccnc3)c2)cc1OC(F)F ZINC000490964921 515346776 /nfs/dbraw/zinc/34/67/76/515346776.db2.gz CYWMCNIUTDKJNC-UHFFFAOYSA-N -1 3 374.347 3.248 20 0 FGADHM Cn1[n-]c(=NC(=O)c2cnn(-c3ccc(Cl)cc3)c2)cc1OC(F)F ZINC000490984163 515348341 /nfs/dbraw/zinc/34/83/41/515348341.db2.gz CDDOUEYMMBMQON-UHFFFAOYSA-N -1 3 367.743 3.113 20 0 FGADHM COc1ccc(CCCCC(=O)N=c2cc(OC(F)F)n(C)[n-]2)cc1 ZINC000491006826 515356113 /nfs/dbraw/zinc/35/61/13/515356113.db2.gz TVFYPFDHEADQJH-UHFFFAOYSA-N -1 3 353.369 3.382 20 0 FGADHM Cc1cc(C)cc(-c2n[n-]c(=NC(=O)N[C@H]3CCCN(C)[C@H]3C)s2)c1 ZINC000481966706 515530251 /nfs/dbraw/zinc/53/02/51/515530251.db2.gz HVSCMQCJELDYJL-ZFWWWQNUSA-N -1 3 359.499 3.426 20 0 FGADHM CCN(C[C@H]1CCCO1)C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482138173 515584449 /nfs/dbraw/zinc/58/44/49/515584449.db2.gz FOZFEZANBKVSLJ-CYBMUJFWSA-N -1 3 367.247 3.130 20 0 FGADHM CCCCN(CCOC)C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482208679 515607628 /nfs/dbraw/zinc/60/76/28/515607628.db2.gz JZCNMEKNGLEUKG-UHFFFAOYSA-N -1 3 369.263 3.377 20 0 FGADHM CCc1[n-][nH]c(=NC(=O)C(=O)c2ccccc2)c1-c1ccc2c(c1)OCO2 ZINC000473698742 515721150 /nfs/dbraw/zinc/72/11/50/515721150.db2.gz SQKFKTMUCPRLSZ-UHFFFAOYSA-N -1 3 363.373 3.189 20 0 FGADHM CCOC(=O)c1cc2cc(C(=O)N=c3cc([C@H]4CCCO4)[n-][nH]3)ccc2[nH]1 ZINC000473848694 515774619 /nfs/dbraw/zinc/77/46/19/515774619.db2.gz SQIVLZVGDLWTFW-MRXNPFEDSA-N -1 3 368.393 3.172 20 0 FGADHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1cccc(Br)c1F ZINC000473854767 515777094 /nfs/dbraw/zinc/77/70/94/515777094.db2.gz ZTURSIQYDPBJHW-NSHDSACASA-N -1 3 354.179 3.415 20 0 FGADHM CCN=c1[n-]c(C(=O)Nc2ccc(I)cc2)cs1 ZINC000478463639 515834589 /nfs/dbraw/zinc/83/45/89/515834589.db2.gz VRTIRGGYEYMAFY-UHFFFAOYSA-N -1 3 373.219 3.432 20 0 FGADHM O=C(N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1)C1CCN(CC(F)F)CC1 ZINC000500860655 515885138 /nfs/dbraw/zinc/88/51/38/515885138.db2.gz BMRKYTZHIKYNDD-UHFFFAOYSA-N -1 3 370.350 3.271 20 0 FGADHM Cc1cc(=O)c(C(=O)N=c2cc(-c3cc(F)cc(F)c3)[n-][nH]2)cn1C1CC1 ZINC000500874991 515891897 /nfs/dbraw/zinc/89/18/97/515891897.db2.gz ZARBEJJVQOAVSX-UHFFFAOYSA-N -1 3 370.359 3.412 20 0 FGADHM CCc1[n-][nH]c(=NC(=O)[C@H](C)CCCOC)c1-c1ccc2c(c1)OCO2 ZINC000483275734 516013477 /nfs/dbraw/zinc/01/34/77/516013477.db2.gz IJCDJZZQAUJYNK-GFCCVEGCSA-N -1 3 359.426 3.369 20 0 FGADHM O=C(CNC(=O)c1cccc(Cl)c1)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000497567124 516326663 /nfs/dbraw/zinc/32/66/63/516326663.db2.gz FSIAULDRXRIJAP-UHFFFAOYSA-N -1 3 354.797 3.099 20 0 FGADHM COC(=O)c1cccc(CC(=O)N=c2cc(-c3cc(F)cc(F)c3)[n-][nH]2)c1 ZINC000535433788 516354712 /nfs/dbraw/zinc/35/47/12/516354712.db2.gz ADNSCRSNNSNWEC-UHFFFAOYSA-N -1 3 371.343 3.323 20 0 FGADHM O=C(CCCn1c(=O)oc2ccccc21)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000536014358 516591542 /nfs/dbraw/zinc/59/15/42/516591542.db2.gz IYOFUALPHNJZRT-UHFFFAOYSA-N -1 3 362.389 3.404 20 0 FGADHM Cc1nccc(NCc2cccc(C(=O)Nc3cccc([O-])c3F)c2)n1 ZINC000544552880 516809835 /nfs/dbraw/zinc/80/98/35/516809835.db2.gz ADVVVJPZIJIASY-UHFFFAOYSA-N -1 3 352.369 3.494 20 0 FGADHM O=C(N=c1ccc(-c2ccccc2)n[n-]1)NC[C@H]1CCN1C1CCCC1 ZINC000529015355 516865467 /nfs/dbraw/zinc/86/54/67/516865467.db2.gz AMDYYZBKBBELOS-QGZVFWFLSA-N -1 3 351.454 3.282 20 0 FGADHM CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)N=c1cc(-c2ccccc2C)[n-][nH]1 ZINC000537121741 517045078 /nfs/dbraw/zinc/04/50/78/517045078.db2.gz KEQMWFTYGPJCQE-HXUWFJFHSA-N -1 3 374.444 3.297 20 0 FGADHM Cc1ccccc1-c1cc(=NC(=O)c2ccccc2SCC(N)=O)[nH][n-]1 ZINC000537121668 517045231 /nfs/dbraw/zinc/04/52/31/517045231.db2.gz GCEAOOSWSHJRQE-UHFFFAOYSA-N -1 3 366.446 3.215 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@@H](CO)CC3CCCC3)nc2)n1 ZINC000541921004 517292683 /nfs/dbraw/zinc/29/26/83/517292683.db2.gz TUJMBQYNUXVRCF-HNNXBMFYSA-N -1 3 356.470 3.407 20 0 FGADHM COCCN(C)CC[C@H](N=c1[n-]nc(-c2ccon2)s1)c1ccccc1 ZINC000520441432 517395976 /nfs/dbraw/zinc/39/59/76/517395976.db2.gz WALHVQLGNXIQFR-HNNXBMFYSA-N -1 3 373.482 3.315 20 0 FGADHM C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N=c1ccc(C2CC2)n[n-]1 ZINC000533307957 517400084 /nfs/dbraw/zinc/40/00/84/517400084.db2.gz LYKROPOKRGOWEC-QAPCUYQASA-N -1 3 365.481 3.386 20 0 FGADHM Cc1cc(=NC(=O)[C@@]23CCC[C@@H]2CN(Cc2ccccc2)C3)[n-]nc1C ZINC000542139530 517403013 /nfs/dbraw/zinc/40/30/13/517403013.db2.gz CINZMXUPSWNLAT-WIYYLYMNSA-N -1 3 350.466 3.334 20 0 FGADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)[C@H]2CCc3n[nH]cc3C2)[nH][n-]1 ZINC000533856903 517642299 /nfs/dbraw/zinc/64/22/99/517642299.db2.gz HDEBEAWIHHSQPE-JTQLQIEISA-N -1 3 371.828 3.205 20 0 FGADHM Cc1ccccc1-c1cc(=NC(=O)c2ccccc2N2CCOCC2)[nH][n-]1 ZINC000539323425 517995214 /nfs/dbraw/zinc/99/52/14/517995214.db2.gz GBRWABNHNNYHPI-UHFFFAOYSA-N -1 3 362.433 3.474 20 0 FGADHM COC(=O)[C@H]1CC[C@H](C(=O)N=c2[nH][n-]c(C)c2-c2cccc(F)c2)CC1 ZINC000603200617 520154676 /nfs/dbraw/zinc/15/46/76/520154676.db2.gz CLYXPULUWCOIBP-BETUJISGSA-N -1 3 359.401 3.442 20 0 FGADHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)C1(c2cccc(F)c2)CCOCC1 ZINC000616826158 520165135 /nfs/dbraw/zinc/16/51/35/520165135.db2.gz IPSYNFZIGYSQGM-INIZCTEOSA-N -1 3 359.401 3.087 20 0 FGADHM CCN=c1[n-]c(C(=O)N2CCCC[C@@H]2[C@@H]2C[C@H](C)CC[C@@H]2O)cs1 ZINC000614324495 520908948 /nfs/dbraw/zinc/90/89/48/520908948.db2.gz SHKRPCXGSDAPBR-CLWVCHIJSA-N -1 3 351.516 3.367 20 0 FGADHM Cn1cc(I)c(=NC(=O)[C@@H]2CCCC(C)(C)C2)[n-]1 ZINC000602382603 521311172 /nfs/dbraw/zinc/31/11/72/521311172.db2.gz WAJIZLLJUFVUGA-SECBINFHSA-N -1 3 361.227 3.180 20 0 FGADHM CCON1CCC(CC(=O)N=c2cc(-c3cc(F)cc(F)c3)[n-][nH]2)CC1 ZINC000612302170 521569232 /nfs/dbraw/zinc/56/92/32/521569232.db2.gz YDFDLFNRSOZKPX-UHFFFAOYSA-N -1 3 364.396 3.347 20 0 FGADHM COc1cc(=NC(=O)N(C)[C@H](CCc2ccccc2)C(F)F)[n-]n1C ZINC000626510089 522242631 /nfs/dbraw/zinc/24/26/31/522242631.db2.gz KWUNOMMXLJRLJO-CYBMUJFWSA-N -1 3 352.385 3.159 20 0 FGADHM CC(C)COc1cccc(OCC(=O)N=c2cc(OC(F)F)n(C)[n-]2)c1 ZINC000491021274 561441804 /nfs/dbraw/zinc/44/18/04/561441804.db2.gz UIJCXYCEZBYSBP-UHFFFAOYSA-N -1 3 369.368 3.074 20 0 FGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)c1ccnc(C2CC2)n1 ZINC000511304128 561864561 /nfs/dbraw/zinc/86/45/61/561864561.db2.gz WIJQKXVWKMIORG-UHFFFAOYSA-N -1 3 358.199 3.017 20 0 FGADHM Cc1cc(C)cc(-c2cc(=NC(=O)Cn3cnc4ccccc4c3=O)[nH][n-]2)c1 ZINC000512534931 561908427 /nfs/dbraw/zinc/90/84/27/561908427.db2.gz ACTLKMSGALMXLL-UHFFFAOYSA-N -1 3 373.416 3.042 20 0 FGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)[C@H](O)CCc1ccccc1 ZINC000513746954 561948496 /nfs/dbraw/zinc/94/84/96/561948496.db2.gz GWULODRWEXJCHD-OAHLLOKOSA-N -1 3 374.238 3.029 20 0 FGADHM Cc1cnc(CC(=O)N=c2cc3ccc(Br)cn3[n-]2)s1 ZINC000513757620 561948828 /nfs/dbraw/zinc/94/88/28/561948828.db2.gz OSNFVTOOEGCUFD-UHFFFAOYSA-N -1 3 351.229 3.043 20 0 FGADHM C[C@@H](c1ccncc1)N1CCC(NC(=O)N=c2cc3ccccn3[n-]2)CC1 ZINC000516799916 562058365 /nfs/dbraw/zinc/05/83/65/562058365.db2.gz BGIPAOGENFYOAA-HNNXBMFYSA-N -1 3 364.453 3.076 20 0 FGADHM CC[C@@H](C)Oc1cc(C(=O)N=c2[n-]n(C)cc2Br)ccn1 ZINC000517237552 562081843 /nfs/dbraw/zinc/08/18/43/562081843.db2.gz KKLLHDCDERDVLU-SECBINFHSA-N -1 3 353.220 3.007 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@@H]2CCc3cnn(C)c3C2)c1-c1ccccc1F ZINC000530277188 562405008 /nfs/dbraw/zinc/40/50/08/562405008.db2.gz ZQTIKDSBMFLCGL-GFCCVEGCSA-N -1 3 353.401 3.001 20 0 FGADHM CN1CC[C@@H](N=c2ccc(C(=O)NC3CCCC3)n[n-]2)[C@H]1c1ccccc1 ZINC000535358146 562556683 /nfs/dbraw/zinc/55/66/83/562556683.db2.gz HVHSPIVIEYUAOK-YLJYHZDGSA-N -1 3 365.481 3.006 20 0 FGADHM COCCOc1cc(C(=O)N=c2cc(-c3ccccc3C)[n-][nH]2)ccn1 ZINC000540794299 562593312 /nfs/dbraw/zinc/59/33/12/562593312.db2.gz GBLRAYLRHSONDU-UHFFFAOYSA-N -1 3 352.394 3.058 20 0 FGADHM Cc1cc(OC(C)C)ccc1NC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000617126534 568218379 /nfs/dbraw/zinc/21/83/79/568218379.db2.gz NOMZMWOSWHZIBH-UHFFFAOYSA-N -1 3 362.451 3.406 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H](Cc1ccccc1)C(C)C ZINC000737057001 598832596 /nfs/dbraw/zinc/83/25/96/598832596.db2.gz FUCVOTYALTZHGR-INIZCTEOSA-N -1 3 365.437 3.329 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H](Cc1ccccc1)C(C)C ZINC000737057001 598832597 /nfs/dbraw/zinc/83/25/97/598832597.db2.gz FUCVOTYALTZHGR-INIZCTEOSA-N -1 3 365.437 3.329 20 0 FGADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)N1CCc2c(Cl)cccc2C1 ZINC000737851019 598834847 /nfs/dbraw/zinc/83/48/47/598834847.db2.gz DBALKTLPUVHLSM-UHFFFAOYSA-N -1 3 367.840 3.038 20 0 FGADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)N1CCc2c(Cl)cccc2C1 ZINC000737851019 598834848 /nfs/dbraw/zinc/83/48/48/598834848.db2.gz DBALKTLPUVHLSM-UHFFFAOYSA-N -1 3 367.840 3.038 20 0 FGADHM CC(C)SCC(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000735921127 598835155 /nfs/dbraw/zinc/83/51/55/598835155.db2.gz KLKSOKSKRXHLPX-UHFFFAOYSA-N -1 3 373.507 3.353 20 0 FGADHM CC(C)[C@@H](C)CNC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000735702160 598836523 /nfs/dbraw/zinc/83/65/23/598836523.db2.gz OBBBCJUMMZSWTR-ZDUSSCGKSA-N -1 3 369.425 3.061 20 0 FGADHM C[C@H](OC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)c1cccnc1 ZINC000736149362 598844328 /nfs/dbraw/zinc/84/43/28/598844328.db2.gz JRIZTFZIDFLPGY-AWEZNQCLSA-N -1 3 367.409 3.115 20 0 FGADHM C[C@H](OC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)c1cccnc1 ZINC000736149362 598844330 /nfs/dbraw/zinc/84/43/30/598844330.db2.gz JRIZTFZIDFLPGY-AWEZNQCLSA-N -1 3 367.409 3.115 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)Nc1cccc(OC(F)F)c1 ZINC000737293320 598851380 /nfs/dbraw/zinc/85/13/80/598851380.db2.gz BOSYQHQUPPRULV-UHFFFAOYSA-N -1 3 360.324 3.421 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)Nc1cccc(OC(F)F)c1 ZINC000737293320 598851381 /nfs/dbraw/zinc/85/13/81/598851381.db2.gz BOSYQHQUPPRULV-UHFFFAOYSA-N -1 3 360.324 3.421 20 0 FGADHM O[C@H](CNc1ccc(-c2nn[n-]n2)cc1C(F)(F)F)c1ccsc1 ZINC000738385867 598855528 /nfs/dbraw/zinc/85/55/28/598855528.db2.gz ZJSFEWYXQYVCIQ-GFCCVEGCSA-N -1 3 355.345 3.093 20 0 FGADHM c1csc(-c2noc(CCCCOc3cccc(-c4nnn[n-]4)c3)n2)c1 ZINC000738419569 598859094 /nfs/dbraw/zinc/85/90/94/598859094.db2.gz QRTGWPHKXZGTHX-UHFFFAOYSA-N -1 3 368.422 3.380 20 0 FGADHM c1csc(-c2noc(CCCCOc3cccc(-c4nn[n-]n4)c3)n2)c1 ZINC000738419569 598859096 /nfs/dbraw/zinc/85/90/96/598859096.db2.gz QRTGWPHKXZGTHX-UHFFFAOYSA-N -1 3 368.422 3.380 20 0 FGADHM Fc1cc(-c2nnn[n-]2)cc(F)c1N[C@@H](c1ccccc1)[C@H]1CCCO1 ZINC000737640467 598870575 /nfs/dbraw/zinc/87/05/75/598870575.db2.gz YHDFIIQOGOFCIS-CVEARBPZSA-N -1 3 357.364 3.477 20 0 FGADHM Fc1cc(-c2nn[n-]n2)cc(F)c1N[C@@H](c1ccccc1)[C@H]1CCCO1 ZINC000737640467 598870576 /nfs/dbraw/zinc/87/05/76/598870576.db2.gz YHDFIIQOGOFCIS-CVEARBPZSA-N -1 3 357.364 3.477 20 0 FGADHM COC(=O)[C@@H](Nc1ccc2ccccc2c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736895753 598878120 /nfs/dbraw/zinc/87/81/20/598878120.db2.gz GIYVPXFAIKTKEE-SFHVURJKSA-N -1 3 359.389 3.346 20 0 FGADHM COC(=O)[C@@H](Nc1ccc2ccccc2c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736895753 598878121 /nfs/dbraw/zinc/87/81/21/598878121.db2.gz GIYVPXFAIKTKEE-SFHVURJKSA-N -1 3 359.389 3.346 20 0 FGADHM COC(=O)[C@@H](N[C@H](C)CCC1CCCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736892605 598885875 /nfs/dbraw/zinc/88/58/75/598885875.db2.gz ATVHAAGXFDLQFW-KDOFPFPSSA-N -1 3 371.485 3.419 20 0 FGADHM COC(=O)[C@@H](N[C@H](C)CCC1CCCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736892605 598885876 /nfs/dbraw/zinc/88/58/76/598885876.db2.gz ATVHAAGXFDLQFW-KDOFPFPSSA-N -1 3 371.485 3.419 20 0 FGADHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)C=Cc1ccccc1F ZINC000736037840 598888029 /nfs/dbraw/zinc/88/80/29/598888029.db2.gz OZBXXUIDDVIFAJ-ASCRHOAZSA-N -1 3 368.368 3.030 20 0 FGADHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)C=Cc1ccccc1F ZINC000736037840 598888031 /nfs/dbraw/zinc/88/80/31/598888031.db2.gz OZBXXUIDDVIFAJ-ASCRHOAZSA-N -1 3 368.368 3.030 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCCCC[C@@H]1CC ZINC000736633507 598904614 /nfs/dbraw/zinc/90/46/14/598904614.db2.gz CBQMSOMIHGPZCN-AWEZNQCLSA-N -1 3 358.446 3.452 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCCCC[C@@H]1CC ZINC000736633507 598904615 /nfs/dbraw/zinc/90/46/15/598904615.db2.gz CBQMSOMIHGPZCN-AWEZNQCLSA-N -1 3 358.446 3.452 20 0 FGADHM C[C@@H](CC1CCCC1)C(=O)Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000735984920 598905641 /nfs/dbraw/zinc/90/56/41/598905641.db2.gz HOLQDRNTISRWKI-ZDUSSCGKSA-N -1 3 365.441 3.207 20 0 FGADHM CC(C)c1ccc([C@H]2C[C@H]2C(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000525375649 598910229 /nfs/dbraw/zinc/91/02/29/598910229.db2.gz YWZGTQPEWIRLSB-RTBURBONSA-N -1 3 361.449 3.410 20 0 FGADHM CC(C)c1ccc([C@H]2C[C@H]2C(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000525375649 598910232 /nfs/dbraw/zinc/91/02/32/598910232.db2.gz YWZGTQPEWIRLSB-RTBURBONSA-N -1 3 361.449 3.410 20 0 FGADHM CCC(CC)NC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000736346116 598925910 /nfs/dbraw/zinc/92/59/10/598925910.db2.gz RBWGUUZCVRKODH-UHFFFAOYSA-N -1 3 365.437 3.364 20 0 FGADHM CCC(CC)NC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000736346116 598925912 /nfs/dbraw/zinc/92/59/12/598925912.db2.gz RBWGUUZCVRKODH-UHFFFAOYSA-N -1 3 365.437 3.364 20 0 FGADHM CCOc1ccc2[nH]c(Sc3ncc(-c4nn[n-]n4)cc3Cl)nc2c1 ZINC000736650954 598934202 /nfs/dbraw/zinc/93/42/02/598934202.db2.gz JUNFCRFSUPKRLL-UHFFFAOYSA-N -1 3 373.829 3.341 20 0 FGADHM Cc1ccccc1C[C@@H]1CCCN1C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000737428225 598934799 /nfs/dbraw/zinc/93/47/99/598934799.db2.gz VDFYELVKLXHODF-HYSAVQALSA-N -1 3 373.460 3.422 20 0 FGADHM Cc1ccccc1C[C@@H]1CCCN1C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000737428225 598934801 /nfs/dbraw/zinc/93/48/01/598934801.db2.gz VDFYELVKLXHODF-HYSAVQALSA-N -1 3 373.460 3.422 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OCCSc1nc2ccccc2o1 ZINC000737033575 598938828 /nfs/dbraw/zinc/93/88/28/598938828.db2.gz XOKKQWVBLREBCL-UHFFFAOYSA-N -1 3 369.406 3.188 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OCCSc1nc2ccccc2o1 ZINC000737033575 598938830 /nfs/dbraw/zinc/93/88/30/598938830.db2.gz XOKKQWVBLREBCL-UHFFFAOYSA-N -1 3 369.406 3.188 20 0 FGADHM Cc1csc([C@@H]2CCCN(c3ncc(-c4nnn[n-]4)cc3Cl)C2)n1 ZINC000737455851 598940349 /nfs/dbraw/zinc/94/03/49/598940349.db2.gz YPHGPBPVAABUHL-SNVBAGLBSA-N -1 3 361.862 3.064 20 0 FGADHM Cc1csc([C@@H]2CCCN(c3ncc(-c4nn[n-]n4)cc3Cl)C2)n1 ZINC000737455851 598940351 /nfs/dbraw/zinc/94/03/51/598940351.db2.gz YPHGPBPVAABUHL-SNVBAGLBSA-N -1 3 361.862 3.064 20 0 FGADHM CC(C)C[C@H]1CCCCCN1C(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000735795134 598943406 /nfs/dbraw/zinc/94/34/06/598943406.db2.gz LFUMNEAYWUQIKX-JKSUJKDBSA-N -1 3 371.485 3.451 20 0 FGADHM CC(C)C[C@H]1CCCCCN1C(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000735795134 598943408 /nfs/dbraw/zinc/94/34/08/598943408.db2.gz LFUMNEAYWUQIKX-JKSUJKDBSA-N -1 3 371.485 3.451 20 0 FGADHM CCN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000736565436 598948010 /nfs/dbraw/zinc/94/80/10/598948010.db2.gz XVBSQFGECZKJCX-UHFFFAOYSA-N -1 3 371.466 3.007 20 0 FGADHM CCN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000736565436 598948012 /nfs/dbraw/zinc/94/80/12/598948012.db2.gz XVBSQFGECZKJCX-UHFFFAOYSA-N -1 3 371.466 3.007 20 0 FGADHM O=C(OC/C=C\Cl)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000738219768 598965580 /nfs/dbraw/zinc/96/55/80/598965580.db2.gz AVRSVHWMPZGCIC-WTKPLQERSA-N -1 3 370.796 3.355 20 0 FGADHM O=C(OC/C=C\Cl)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000738219768 598965581 /nfs/dbraw/zinc/96/55/81/598965581.db2.gz AVRSVHWMPZGCIC-WTKPLQERSA-N -1 3 370.796 3.355 20 0 FGADHM CC(C)[C@@H]1CCCN(C(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736112367 598965693 /nfs/dbraw/zinc/96/56/93/598965693.db2.gz ISDTTXMXBSQIPI-HUUCEWRRSA-N -1 3 356.474 3.395 20 0 FGADHM CC(C)[C@@H]1CCCN(C(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736112367 598965694 /nfs/dbraw/zinc/96/56/94/598965694.db2.gz ISDTTXMXBSQIPI-HUUCEWRRSA-N -1 3 356.474 3.395 20 0 FGADHM Cc1c(NCc2nc(-c3ccc(Cl)cc3)no2)cccc1-c1nnn[n-]1 ZINC000822121043 607255730 /nfs/dbraw/zinc/25/57/30/607255730.db2.gz AJANHTNFCWBQOB-UHFFFAOYSA-N -1 3 367.800 3.491 20 0 FGADHM Cc1c(NCc2nc(-c3ccc(Cl)cc3)no2)cccc1-c1nn[n-]n1 ZINC000822121043 607255731 /nfs/dbraw/zinc/25/57/31/607255731.db2.gz AJANHTNFCWBQOB-UHFFFAOYSA-N -1 3 367.800 3.491 20 0 FGADHM Cc1nnc(N[C@H]2C[C@@H]2c2c(F)cccc2Cl)c(-c2nnn[n-]2)c1C ZINC000737521571 598972414 /nfs/dbraw/zinc/97/24/14/598972414.db2.gz PUZXZDHBXJOGTN-CABZTGNLSA-N -1 3 359.796 3.034 20 0 FGADHM Cc1nnc(N[C@H]2C[C@@H]2c2c(F)cccc2Cl)c(-c2nn[n-]n2)c1C ZINC000737521571 598972416 /nfs/dbraw/zinc/97/24/16/598972416.db2.gz PUZXZDHBXJOGTN-CABZTGNLSA-N -1 3 359.796 3.034 20 0 FGADHM CCO[C@H]1C[C@@H](N(C)c2ncc(-c3nnn[n-]3)cc2Cl)C12CCCC2 ZINC000736608170 598977462 /nfs/dbraw/zinc/97/74/62/598977462.db2.gz AMZSTBHRHIISFN-KGLIPLIRSA-N -1 3 362.865 3.089 20 0 FGADHM C[C@H](CNC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C(C)(C)C ZINC000736026630 598977470 /nfs/dbraw/zinc/97/74/70/598977470.db2.gz VPARIBXVUQFMGU-SECBINFHSA-N -1 3 352.895 3.489 20 0 FGADHM C[C@H](CNC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C(C)(C)C ZINC000736026630 598977471 /nfs/dbraw/zinc/97/74/71/598977471.db2.gz VPARIBXVUQFMGU-SECBINFHSA-N -1 3 352.895 3.489 20 0 FGADHM CCO[C@H]1C[C@@H](N(C)c2ncc(-c3nn[n-]n3)cc2Cl)C12CCCC2 ZINC000736608170 598977464 /nfs/dbraw/zinc/97/74/64/598977464.db2.gz AMZSTBHRHIISFN-KGLIPLIRSA-N -1 3 362.865 3.089 20 0 FGADHM O=C1[C@H](Sc2ccc(-c3nnn[n-]3)cc2)CCCN1c1ccccc1 ZINC000738294877 598979009 /nfs/dbraw/zinc/97/90/09/598979009.db2.gz FYTMEGOETZYBRG-MRXNPFEDSA-N -1 3 351.435 3.154 20 0 FGADHM O=C1[C@H](Sc2ccc(-c3nn[n-]n3)cc2)CCCN1c1ccccc1 ZINC000738294877 598979010 /nfs/dbraw/zinc/97/90/10/598979010.db2.gz FYTMEGOETZYBRG-MRXNPFEDSA-N -1 3 351.435 3.154 20 0 FGADHM C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000736237486 599008544 /nfs/dbraw/zinc/00/85/44/599008544.db2.gz WQMRRNHXBNMYMR-IHUUNXMQSA-N -1 3 359.433 3.285 20 0 FGADHM C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000736237486 599008546 /nfs/dbraw/zinc/00/85/46/599008546.db2.gz WQMRRNHXBNMYMR-IHUUNXMQSA-N -1 3 359.433 3.285 20 0 FGADHM CCO[C@H]1C[C@H](N(C)C(=O)Nc2ccc(-c3nnn[n-]3)cc2)C12CCCC2 ZINC000736617139 599012400 /nfs/dbraw/zinc/01/24/00/599012400.db2.gz QATZHPVAVIJAGV-HOTGVXAUSA-N -1 3 370.457 3.068 20 0 FGADHM CCO[C@H]1C[C@H](N(C)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)C12CCCC2 ZINC000736617139 599012402 /nfs/dbraw/zinc/01/24/02/599012402.db2.gz QATZHPVAVIJAGV-HOTGVXAUSA-N -1 3 370.457 3.068 20 0 FGADHM COCc1ccccc1CNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000737022248 599041627 /nfs/dbraw/zinc/04/16/27/599041627.db2.gz OBZSHCONOZFEPJ-UHFFFAOYSA-N -1 3 364.331 3.039 20 0 FGADHM COCc1ccccc1CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000737022248 599041629 /nfs/dbraw/zinc/04/16/29/599041629.db2.gz OBZSHCONOZFEPJ-UHFFFAOYSA-N -1 3 364.331 3.039 20 0 FGADHM C[C@H](Cc1cccs1)Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000736065350 599043114 /nfs/dbraw/zinc/04/31/14/599043114.db2.gz CUDISWWADDABBU-MRVPVSSYSA-N -1 3 354.361 3.385 20 0 FGADHM C[C@H](Cc1cccs1)Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000736065350 599043116 /nfs/dbraw/zinc/04/31/16/599043116.db2.gz CUDISWWADDABBU-MRVPVSSYSA-N -1 3 354.361 3.385 20 0 FGADHM CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1Nc1ccc(-c2nn[n-]n2)cc1 ZINC000819939799 599052500 /nfs/dbraw/zinc/05/25/00/599052500.db2.gz JTIMDBADQZXNOO-HOCLYGCPSA-N -1 3 372.473 3.362 20 0 FGADHM Clc1cc(-c2nnn[n-]2)cnc1N[C@@H](c1ccccc1)C1CCOCC1 ZINC000737559378 599061434 /nfs/dbraw/zinc/06/14/34/599061434.db2.gz VFQJXBDOXFWVLO-INIZCTEOSA-N -1 3 370.844 3.495 20 0 FGADHM Clc1cc(-c2nn[n-]n2)cnc1N[C@@H](c1ccccc1)C1CCOCC1 ZINC000737559378 599061437 /nfs/dbraw/zinc/06/14/37/599061437.db2.gz VFQJXBDOXFWVLO-INIZCTEOSA-N -1 3 370.844 3.495 20 0 FGADHM Cc1ccc(C[C@H](Nc2ncccc2-c2nnn[n-]2)c2ccccn2)cc1 ZINC000737334895 599064506 /nfs/dbraw/zinc/06/45/06/599064506.db2.gz OGGXPVMYUQQAAZ-SFHVURJKSA-N -1 3 357.421 3.361 20 0 FGADHM Cc1ccc(C[C@H](Nc2ncccc2-c2nn[n-]n2)c2ccccn2)cc1 ZINC000737334895 599064508 /nfs/dbraw/zinc/06/45/08/599064508.db2.gz OGGXPVMYUQQAAZ-SFHVURJKSA-N -1 3 357.421 3.361 20 0 FGADHM Fc1cc(-c2nnn[n-]2)ccc1SCc1nc(-c2ccsc2)no1 ZINC000737644811 599066484 /nfs/dbraw/zinc/06/64/84/599066484.db2.gz MVFMIYCWJLPUIM-UHFFFAOYSA-N -1 3 360.399 3.410 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1SCc1nc(-c2ccsc2)no1 ZINC000737644811 599066487 /nfs/dbraw/zinc/06/64/87/599066487.db2.gz MVFMIYCWJLPUIM-UHFFFAOYSA-N -1 3 360.399 3.410 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000737292665 599073922 /nfs/dbraw/zinc/07/39/22/599073922.db2.gz WYELWTUYQYGDQJ-CHWSQXEVSA-N -1 3 355.348 3.196 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000737292665 599073925 /nfs/dbraw/zinc/07/39/25/599073925.db2.gz WYELWTUYQYGDQJ-CHWSQXEVSA-N -1 3 355.348 3.196 20 0 FGADHM C[C@H]1CCC[C@@H](C(=O)N2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)C1 ZINC000736244719 599074736 /nfs/dbraw/zinc/07/47/36/599074736.db2.gz MKDWNQVQPWGTIH-GOEBONIOSA-N -1 3 369.469 3.063 20 0 FGADHM C[C@H]1CCC[C@@H](C(=O)N2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)C1 ZINC000736244719 599074739 /nfs/dbraw/zinc/07/47/39/599074739.db2.gz MKDWNQVQPWGTIH-GOEBONIOSA-N -1 3 369.469 3.063 20 0 FGADHM CCc1nc(C)c([C@@H](C)N(C)C(=O)c2sccc2-c2nnn[n-]2)s1 ZINC000736698540 599078603 /nfs/dbraw/zinc/07/86/03/599078603.db2.gz GKRHLTBPSSORQB-SECBINFHSA-N -1 3 362.484 3.089 20 0 FGADHM CCc1nc(C)c([C@@H](C)N(C)C(=O)c2sccc2-c2nn[n-]n2)s1 ZINC000736698540 599078606 /nfs/dbraw/zinc/07/86/06/599078606.db2.gz GKRHLTBPSSORQB-SECBINFHSA-N -1 3 362.484 3.089 20 0 FGADHM CC(C)CCc1ccc(N[C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735817954 599095293 /nfs/dbraw/zinc/09/52/93/599095293.db2.gz HJKBSUJVECYDCX-SFHVURJKSA-N -1 3 364.453 3.094 20 0 FGADHM CC(C)CCc1ccc(N[C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735817954 599095296 /nfs/dbraw/zinc/09/52/96/599095296.db2.gz HJKBSUJVECYDCX-SFHVURJKSA-N -1 3 364.453 3.094 20 0 FGADHM CCS[C@@H]1CC[C@H](N(C)c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)C1 ZINC000821448860 599098391 /nfs/dbraw/zinc/09/83/91/599098391.db2.gz OTRHQBUGBQMIME-VHSXEESVSA-N -1 3 372.420 3.391 20 0 FGADHM CCS[C@@H]1CC[C@H](N(C)c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)C1 ZINC000821448860 599098393 /nfs/dbraw/zinc/09/83/93/599098393.db2.gz OTRHQBUGBQMIME-VHSXEESVSA-N -1 3 372.420 3.391 20 0 FGADHM O[C@@H](C[C@H]1CCCN1c1ncc(-c2nnn[n-]2)cc1Cl)c1ccccc1 ZINC000823674581 599106062 /nfs/dbraw/zinc/10/60/62/599106062.db2.gz ROKUPMDRWPTMBZ-ZBFHGGJFSA-N -1 3 370.844 3.008 20 0 FGADHM O[C@@H](C[C@H]1CCCN1c1ncc(-c2nn[n-]n2)cc1Cl)c1ccccc1 ZINC000823674581 599106065 /nfs/dbraw/zinc/10/60/65/599106065.db2.gz ROKUPMDRWPTMBZ-ZBFHGGJFSA-N -1 3 370.844 3.008 20 0 FGADHM Cc1ccc([C@@H]2OCCC[C@H]2CNc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000822233778 599108466 /nfs/dbraw/zinc/10/84/66/599108466.db2.gz UXDUAXKDPNPDKU-YJBOKZPZSA-N -1 3 350.426 3.150 20 0 FGADHM Cc1ccc([C@@H]2OCCC[C@H]2CNc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000822233778 599108468 /nfs/dbraw/zinc/10/84/68/599108468.db2.gz UXDUAXKDPNPDKU-YJBOKZPZSA-N -1 3 350.426 3.150 20 0 FGADHM CC(C)N(C(=O)CSc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000735851052 599108828 /nfs/dbraw/zinc/10/88/28/599108828.db2.gz KNEWVVWKDCPZAS-UHFFFAOYSA-N -1 3 353.451 3.400 20 0 FGADHM CC(C)N(C(=O)CSc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000735851052 599108831 /nfs/dbraw/zinc/10/88/31/599108831.db2.gz KNEWVVWKDCPZAS-UHFFFAOYSA-N -1 3 353.451 3.400 20 0 FGADHM CCO[C@@H]1C[C@@H](Nc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)C12CCC2 ZINC000736612004 599119569 /nfs/dbraw/zinc/11/95/69/599119569.db2.gz LFGUJYJXAYJPNG-VXGBXAGGSA-N -1 3 368.363 3.040 20 0 FGADHM CCO[C@@H]1C[C@@H](Nc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)C12CCC2 ZINC000736612004 599119572 /nfs/dbraw/zinc/11/95/72/599119572.db2.gz LFGUJYJXAYJPNG-VXGBXAGGSA-N -1 3 368.363 3.040 20 0 FGADHM COc1ccc(CN(Cc2ccccc2)c2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000737090116 599120411 /nfs/dbraw/zinc/12/04/11/599120411.db2.gz BDLGCSGPYUXTCB-UHFFFAOYSA-N -1 3 372.432 3.477 20 0 FGADHM COc1ccc(CN(Cc2ccccc2)c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000737090116 599120412 /nfs/dbraw/zinc/12/04/12/599120412.db2.gz BDLGCSGPYUXTCB-UHFFFAOYSA-N -1 3 372.432 3.477 20 0 FGADHM FC(F)(F)COc1ccccc1COc1ccc(-c2nn[n-]n2)cc1 ZINC000822718933 599124109 /nfs/dbraw/zinc/12/41/09/599124109.db2.gz VTZCJJZJJZYHIB-UHFFFAOYSA-N -1 3 350.300 3.387 20 0 FGADHM CC(C)(C)c1ncc(C=CC(=O)Nc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000742611789 599133661 /nfs/dbraw/zinc/13/36/61/599133661.db2.gz USVNOAJVHKIWLM-CMDGGOBGSA-N -1 3 354.439 3.273 20 0 FGADHM CC(C)(C)c1ncc(C=CC(=O)Nc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000742611789 599133663 /nfs/dbraw/zinc/13/36/63/599133663.db2.gz USVNOAJVHKIWLM-CMDGGOBGSA-N -1 3 354.439 3.273 20 0 FGADHM C[C@@H]1CN(Cc2ccc(F)cc2-c2nnn[n-]2)C[C@H](c2ccc(F)cc2)O1 ZINC000736288543 599141418 /nfs/dbraw/zinc/14/14/18/599141418.db2.gz IXQRBGGZGKAJFZ-KZULUSFZSA-N -1 3 371.391 3.107 20 0 FGADHM C[C@@H]1CN(Cc2ccc(F)cc2-c2nn[n-]n2)C[C@H](c2ccc(F)cc2)O1 ZINC000736288543 599141419 /nfs/dbraw/zinc/14/14/19/599141419.db2.gz IXQRBGGZGKAJFZ-KZULUSFZSA-N -1 3 371.391 3.107 20 0 FGADHM C[C@H]1CN(Cc2ccc(-c3nnn[n-]3)cc2F)C[C@@H](c2ccc(F)cc2)O1 ZINC000736288054 599141460 /nfs/dbraw/zinc/14/14/60/599141460.db2.gz QKQFGQVNHNSCMA-SGTLLEGYSA-N -1 3 371.391 3.107 20 0 FGADHM C[C@H]1CN(Cc2ccc(-c3nn[n-]n3)cc2F)C[C@@H](c2ccc(F)cc2)O1 ZINC000736288054 599141461 /nfs/dbraw/zinc/14/14/61/599141461.db2.gz QKQFGQVNHNSCMA-SGTLLEGYSA-N -1 3 371.391 3.107 20 0 FGADHM CN(C(=O)c1cccc(-c2cscn2)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000821574375 599146827 /nfs/dbraw/zinc/14/68/27/599146827.db2.gz DLLNAALAAHWTDE-UHFFFAOYSA-N -1 3 362.418 3.267 20 0 FGADHM CN(C(=O)c1cccc(-c2cscn2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000821574375 599146829 /nfs/dbraw/zinc/14/68/29/599146829.db2.gz DLLNAALAAHWTDE-UHFFFAOYSA-N -1 3 362.418 3.267 20 0 FGADHM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000820938496 599147588 /nfs/dbraw/zinc/14/75/88/599147588.db2.gz KJNHFAIMUXLBLZ-MJEQTWJJSA-N -1 3 357.458 3.488 20 0 FGADHM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000820938496 599147590 /nfs/dbraw/zinc/14/75/90/599147590.db2.gz KJNHFAIMUXLBLZ-MJEQTWJJSA-N -1 3 357.458 3.488 20 0 FGADHM CCN(C(=S)NC(C1CC1)C1CC1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736508065 599157479 /nfs/dbraw/zinc/15/74/79/599157479.db2.gz JDKWRXKBJBUWTO-LBPRGKRZSA-N -1 3 370.526 3.313 20 0 FGADHM CCN(C(=S)NC(C1CC1)C1CC1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736508065 599157483 /nfs/dbraw/zinc/15/74/83/599157483.db2.gz JDKWRXKBJBUWTO-LBPRGKRZSA-N -1 3 370.526 3.313 20 0 FGADHM CC[C@H](C)C[C@H](C)NC(=O)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC000820870780 599160032 /nfs/dbraw/zinc/16/00/32/599160032.db2.gz ZHQPGSGJASFUKH-ZQIUZPCESA-N -1 3 359.474 3.211 20 0 FGADHM CC[C@H](C)C[C@H](C)NC(=O)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(C)C ZINC000820870780 599160033 /nfs/dbraw/zinc/16/00/33/599160033.db2.gz ZHQPGSGJASFUKH-ZQIUZPCESA-N -1 3 359.474 3.211 20 0 FGADHM Fc1ccccc1-c1cnc(CSc2ccc(-c3nnn[n-]3)cn2)o1 ZINC000737665775 599165174 /nfs/dbraw/zinc/16/51/74/599165174.db2.gz VELNTDRSWYIOKV-UHFFFAOYSA-N -1 3 354.370 3.348 20 0 FGADHM Fc1ccccc1-c1cnc(CSc2ccc(-c3nn[n-]n3)cn2)o1 ZINC000737665775 599165175 /nfs/dbraw/zinc/16/51/75/599165175.db2.gz VELNTDRSWYIOKV-UHFFFAOYSA-N -1 3 354.370 3.348 20 0 FGADHM Fc1ccc(-n2ccc(CSc3ccc(-c4nnn[n-]4)cc3)n2)cc1 ZINC000737651404 599164907 /nfs/dbraw/zinc/16/49/07/599164907.db2.gz RYJYEOOPECNLLB-UHFFFAOYSA-N -1 3 352.398 3.484 20 0 FGADHM Fc1ccc(-n2ccc(CSc3ccc(-c4nn[n-]n4)cc3)n2)cc1 ZINC000737651404 599164910 /nfs/dbraw/zinc/16/49/10/599164910.db2.gz RYJYEOOPECNLLB-UHFFFAOYSA-N -1 3 352.398 3.484 20 0 FGADHM CC[C@H](C)[C@@H](C(=O)NCc1cc(-c2nnn[n-]2)ccc1F)c1ccccc1 ZINC000820863485 599176109 /nfs/dbraw/zinc/17/61/09/599176109.db2.gz UGQNRELUINEVNI-SCLBCKFNSA-N -1 3 367.428 3.452 20 0 FGADHM CC[C@H](C)[C@@H](C(=O)NCc1cc(-c2nn[n-]n2)ccc1F)c1ccccc1 ZINC000820863485 599176111 /nfs/dbraw/zinc/17/61/11/599176111.db2.gz UGQNRELUINEVNI-SCLBCKFNSA-N -1 3 367.428 3.452 20 0 FGADHM Cc1ccc(Br)cc1C(=O)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000737306758 599176302 /nfs/dbraw/zinc/17/63/02/599176302.db2.gz SBZMDVUYMZRUGO-UHFFFAOYSA-N -1 3 359.183 3.157 20 0 FGADHM Cc1ccc(Br)cc1C(=O)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000737306758 599176303 /nfs/dbraw/zinc/17/63/03/599176303.db2.gz SBZMDVUYMZRUGO-UHFFFAOYSA-N -1 3 359.183 3.157 20 0 FGADHM C[C@H](NC(=O)[C@H]1CCSc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000736102727 599181996 /nfs/dbraw/zinc/18/19/96/599181996.db2.gz UNEPGMBSNAUXIU-LRDDRELGSA-N -1 3 365.462 3.324 20 0 FGADHM C[C@H](NC(=O)[C@H]1CCSc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000736102727 599181998 /nfs/dbraw/zinc/18/19/98/599181998.db2.gz UNEPGMBSNAUXIU-LRDDRELGSA-N -1 3 365.462 3.324 20 0 FGADHM Cc1ccc([C@H]2CCCN2C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)o1 ZINC000737333156 599189587 /nfs/dbraw/zinc/18/95/87/599189587.db2.gz RRXBGMNXBIZENR-CQSZACIVSA-N -1 3 356.361 3.276 20 0 FGADHM Cc1ccc([C@H]2CCCN2C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)o1 ZINC000737333156 599189590 /nfs/dbraw/zinc/18/95/90/599189590.db2.gz RRXBGMNXBIZENR-CQSZACIVSA-N -1 3 356.361 3.276 20 0 FGADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1F)[C@H]1C[C@H]1c1c(F)cccc1F ZINC000738232483 599186656 /nfs/dbraw/zinc/18/66/56/599186656.db2.gz RICWJROYKSMUQO-NEPJUHHUSA-N -1 3 374.322 3.131 20 0 FGADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1F)[C@H]1C[C@H]1c1c(F)cccc1F ZINC000738232483 599186658 /nfs/dbraw/zinc/18/66/58/599186658.db2.gz RICWJROYKSMUQO-NEPJUHHUSA-N -1 3 374.322 3.131 20 0 FGADHM CC(C)n1ccc(CSc2nc3c(cc2-c2nnn[n-]2)CCCC3)n1 ZINC000735966890 599193061 /nfs/dbraw/zinc/19/30/61/599193061.db2.gz ZKTKJQSLOVNBDJ-UHFFFAOYSA-N -1 3 355.471 3.210 20 0 FGADHM CC(C)n1ccc(CSc2nc3c(cc2-c2nn[n-]n2)CCCC3)n1 ZINC000735966890 599193064 /nfs/dbraw/zinc/19/30/64/599193064.db2.gz ZKTKJQSLOVNBDJ-UHFFFAOYSA-N -1 3 355.471 3.210 20 0 FGADHM C[C@H]1C[C@@H]1NC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000736235061 599198916 /nfs/dbraw/zinc/19/89/16/599198916.db2.gz CZVRUFBBCNYNDR-BONVTDFDSA-N -1 3 369.812 3.451 20 0 FGADHM C[C@H]1C[C@@H]1NC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000736235061 599198918 /nfs/dbraw/zinc/19/89/18/599198918.db2.gz CZVRUFBBCNYNDR-BONVTDFDSA-N -1 3 369.812 3.451 20 0 FGADHM COc1cc(COC(=O)CSc2ccc(-c3nnn[n-]3)cc2)ccc1C ZINC000737048175 599203003 /nfs/dbraw/zinc/20/30/03/599203003.db2.gz XIDYMRKQXVEGLF-UHFFFAOYSA-N -1 3 370.434 3.019 20 0 FGADHM COc1cc(COC(=O)CSc2ccc(-c3nn[n-]n3)cc2)ccc1C ZINC000737048175 599203005 /nfs/dbraw/zinc/20/30/05/599203005.db2.gz XIDYMRKQXVEGLF-UHFFFAOYSA-N -1 3 370.434 3.019 20 0 FGADHM C[C@@H](CNC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccc(F)cc1F ZINC000820260501 599211587 /nfs/dbraw/zinc/21/15/87/599211587.db2.gz HMWOUMCHGWRQJL-PWWFUAJNSA-N -1 3 369.375 3.078 20 0 FGADHM C[C@@H](CNC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC000820260501 599211591 /nfs/dbraw/zinc/21/15/91/599211591.db2.gz HMWOUMCHGWRQJL-PWWFUAJNSA-N -1 3 369.375 3.078 20 0 FGADHM Cc1[nH]nc(NC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)c1C ZINC000737452363 599214869 /nfs/dbraw/zinc/21/48/69/599214869.db2.gz GZSKLODKPVEYDE-UHFFFAOYSA-N -1 3 359.393 3.126 20 0 FGADHM Cc1[nH]nc(NC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)c1C ZINC000737452363 599214871 /nfs/dbraw/zinc/21/48/71/599214871.db2.gz GZSKLODKPVEYDE-UHFFFAOYSA-N -1 3 359.393 3.126 20 0 FGADHM Cc1cc(F)cc2[nH]c(C(=O)OCc3ccc(-c4nnn[n-]4)cc3F)cc21 ZINC000737262377 599216922 /nfs/dbraw/zinc/21/69/22/599216922.db2.gz FQEYMFQCALHNBL-UHFFFAOYSA-N -1 3 369.331 3.292 20 0 FGADHM Cc1cc(F)cc2[nH]c(C(=O)OCc3ccc(-c4nn[n-]n4)cc3F)cc21 ZINC000737262377 599216925 /nfs/dbraw/zinc/21/69/25/599216925.db2.gz FQEYMFQCALHNBL-UHFFFAOYSA-N -1 3 369.331 3.292 20 0 FGADHM CCC[C@@]1(C)CCCN(C(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821028060 599220283 /nfs/dbraw/zinc/22/02/83/599220283.db2.gz SLOXBGLOWNCBJH-KUHUBIRLSA-N -1 3 357.458 3.063 20 0 FGADHM CC(C)(CNC(=S)Nc1ccccc1-c1nnn[n-]1)Cc1ccccc1 ZINC000735670102 599221780 /nfs/dbraw/zinc/22/17/80/599221780.db2.gz CQNHDTWFLYBDGJ-UHFFFAOYSA-N -1 3 366.494 3.422 20 0 FGADHM CC(C)(CNC(=S)Nc1ccccc1-c1nn[n-]n1)Cc1ccccc1 ZINC000735670102 599221782 /nfs/dbraw/zinc/22/17/82/599221782.db2.gz CQNHDTWFLYBDGJ-UHFFFAOYSA-N -1 3 366.494 3.422 20 0 FGADHM O=C(Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1)c1cocn1 ZINC000823355885 599222306 /nfs/dbraw/zinc/22/23/06/599222306.db2.gz FISLBVNAICHWEK-UHFFFAOYSA-N -1 3 366.312 3.038 20 0 FGADHM O=C(Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1)c1cocn1 ZINC000823355885 599222308 /nfs/dbraw/zinc/22/23/08/599222308.db2.gz FISLBVNAICHWEK-UHFFFAOYSA-N -1 3 366.312 3.038 20 0 FGADHM CCCCN(C(=O)c1ncc(-c2nnn[n-]2)cc1Cl)c1ccccc1 ZINC000821062177 607262882 /nfs/dbraw/zinc/26/28/82/607262882.db2.gz VFVOQRVWFLTKRL-UHFFFAOYSA-N -1 3 356.817 3.362 20 0 FGADHM CCCCN(C(=O)c1ncc(-c2nn[n-]n2)cc1Cl)c1ccccc1 ZINC000821062177 607262883 /nfs/dbraw/zinc/26/28/83/607262883.db2.gz VFVOQRVWFLTKRL-UHFFFAOYSA-N -1 3 356.817 3.362 20 0 FGADHM O=C(c1ncc(-c2nnn[n-]2)cc1Cl)N1CCCSc2ccccc21 ZINC000823498328 607263335 /nfs/dbraw/zinc/26/33/35/607263335.db2.gz LGLWYOGYSUVZFU-UHFFFAOYSA-N -1 3 372.841 3.058 20 0 FGADHM O=C(c1ncc(-c2nn[n-]n2)cc1Cl)N1CCCSc2ccccc21 ZINC000823498328 607263336 /nfs/dbraw/zinc/26/33/36/607263336.db2.gz LGLWYOGYSUVZFU-UHFFFAOYSA-N -1 3 372.841 3.058 20 0 FGADHM C[C@@H]1CN(C(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C[C@H](C)S1 ZINC000820742159 599227664 /nfs/dbraw/zinc/22/76/64/599227664.db2.gz HRKPQCLJMGOWAP-DTORHVGOSA-N -1 3 368.919 3.043 20 0 FGADHM C[C@@H]1CN(C(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C[C@H](C)S1 ZINC000820742159 599227667 /nfs/dbraw/zinc/22/76/67/599227667.db2.gz HRKPQCLJMGOWAP-DTORHVGOSA-N -1 3 368.919 3.043 20 0 FGADHM CC(C)n1ncc2cc(NC(=O)C=Cc3ccccc3-c3nnn[n-]3)ccc21 ZINC000735963638 599227849 /nfs/dbraw/zinc/22/78/49/599227849.db2.gz IVBNAHZNSUCLPM-JXMROGBWSA-N -1 3 373.420 3.449 20 0 FGADHM CC(C)n1ncc2cc(NC(=O)C=Cc3ccccc3-c3nn[n-]n3)ccc21 ZINC000735963638 599227852 /nfs/dbraw/zinc/22/78/52/599227852.db2.gz IVBNAHZNSUCLPM-JXMROGBWSA-N -1 3 373.420 3.449 20 0 FGADHM Cc1c(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)cnn1-c1cccc(C)c1 ZINC000822284190 607267630 /nfs/dbraw/zinc/26/76/30/607267630.db2.gz LQSUEFFIOAROEQ-UHFFFAOYSA-N -1 3 373.420 3.230 20 0 FGADHM Cc1c(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)cnn1-c1cccc(C)c1 ZINC000822284190 607267631 /nfs/dbraw/zinc/26/76/31/607267631.db2.gz LQSUEFFIOAROEQ-UHFFFAOYSA-N -1 3 373.420 3.230 20 0 FGADHM Cc1ccc(NC(=S)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1F ZINC000822254733 599239107 /nfs/dbraw/zinc/23/91/07/599239107.db2.gz PUXWTNFLDIFIPE-NSHDSACASA-N -1 3 356.430 3.362 20 0 FGADHM Cc1ccc(NC(=S)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1F ZINC000822254733 599239111 /nfs/dbraw/zinc/23/91/11/599239111.db2.gz PUXWTNFLDIFIPE-NSHDSACASA-N -1 3 356.430 3.362 20 0 FGADHM Cc1ccc(C)c(OCCC(=O)Nc2cccc(-c3nnn[n-]3)c2C)c1 ZINC000822231975 607270204 /nfs/dbraw/zinc/27/02/04/607270204.db2.gz OXGOFIZNZFKHON-UHFFFAOYSA-N -1 3 351.410 3.200 20 0 FGADHM Cc1ccc(C)c(OCCC(=O)Nc2cccc(-c3nn[n-]n3)c2C)c1 ZINC000822231975 607270205 /nfs/dbraw/zinc/27/02/05/607270205.db2.gz OXGOFIZNZFKHON-UHFFFAOYSA-N -1 3 351.410 3.200 20 0 FGADHM C[C@H](CNC(=O)Nc1ccc(-c2nnn[n-]2)cc1)Oc1ccccc1Cl ZINC000820270216 599242958 /nfs/dbraw/zinc/24/29/58/599242958.db2.gz XTLVJWYMKQJRQK-LLVKDONJSA-N -1 3 372.816 3.109 20 0 FGADHM C[C@H](CNC(=O)Nc1ccc(-c2nn[n-]n2)cc1)Oc1ccccc1Cl ZINC000820270216 599242960 /nfs/dbraw/zinc/24/29/60/599242960.db2.gz XTLVJWYMKQJRQK-LLVKDONJSA-N -1 3 372.816 3.109 20 0 FGADHM Cc1c(NC(=O)Cn2ccc3ccc(Cl)cc32)cccc1-c1nnn[n-]1 ZINC000822077365 607269089 /nfs/dbraw/zinc/26/90/89/607269089.db2.gz UYOWLUKMJHFVKJ-UHFFFAOYSA-N -1 3 366.812 3.422 20 0 FGADHM Cc1c(NC(=O)Cn2ccc3ccc(Cl)cc32)cccc1-c1nn[n-]n1 ZINC000822077365 607269090 /nfs/dbraw/zinc/26/90/90/607269090.db2.gz UYOWLUKMJHFVKJ-UHFFFAOYSA-N -1 3 366.812 3.422 20 0 FGADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCC(C(C)C)CC1 ZINC000735752205 599246569 /nfs/dbraw/zinc/24/65/69/599246569.db2.gz YWLAGXNJLPGHOA-GOSISDBHSA-N -1 3 371.485 3.165 20 0 FGADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCC(C(C)C)CC1 ZINC000735752205 599246571 /nfs/dbraw/zinc/24/65/71/599246571.db2.gz YWLAGXNJLPGHOA-GOSISDBHSA-N -1 3 371.485 3.165 20 0 FGADHM Cc1cccc2c1OCC[C@@H]2NC(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000822340644 607281889 /nfs/dbraw/zinc/28/18/89/607281889.db2.gz ANQNZKZRJHEITC-INIZCTEOSA-N -1 3 364.409 3.129 20 0 FGADHM Cc1cccc2c1OCC[C@@H]2NC(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000822340644 607281890 /nfs/dbraw/zinc/28/18/90/607281890.db2.gz ANQNZKZRJHEITC-INIZCTEOSA-N -1 3 364.409 3.129 20 0 FGADHM CCc1nc([C@@H](C)NC(=O)Nc2cccc(-c3nnn[n-]3)c2C)cs1 ZINC000821504994 607287873 /nfs/dbraw/zinc/28/78/73/607287873.db2.gz NVRCVORLFCGUIC-SNVBAGLBSA-N -1 3 357.443 3.077 20 0 FGADHM CCc1nc([C@@H](C)NC(=O)Nc2cccc(-c3nn[n-]n3)c2C)cs1 ZINC000821504994 607287874 /nfs/dbraw/zinc/28/78/74/607287874.db2.gz NVRCVORLFCGUIC-SNVBAGLBSA-N -1 3 357.443 3.077 20 0 FGADHM Cc1c(NC(=O)NC[C@H](C)c2ccc(F)cc2)cccc1-c1nnn[n-]1 ZINC000822095683 607284922 /nfs/dbraw/zinc/28/49/22/607284922.db2.gz GPPRMONWOUQNEA-NSHDSACASA-N -1 3 354.389 3.239 20 0 FGADHM Cc1c(NC(=O)NC[C@H](C)c2ccc(F)cc2)cccc1-c1nn[n-]n1 ZINC000822095683 607284923 /nfs/dbraw/zinc/28/49/23/607284923.db2.gz GPPRMONWOUQNEA-NSHDSACASA-N -1 3 354.389 3.239 20 0 FGADHM Cc1c(NC(=O)NCc2c(F)cccc2Cl)cccc1-c1nnn[n-]1 ZINC000822104563 607286901 /nfs/dbraw/zinc/28/69/01/607286901.db2.gz PDQWFZOFXIMGKD-UHFFFAOYSA-N -1 3 360.780 3.289 20 0 FGADHM Cc1c(NC(=O)NCc2c(F)cccc2Cl)cccc1-c1nn[n-]n1 ZINC000822104563 607286902 /nfs/dbraw/zinc/28/69/02/607286902.db2.gz PDQWFZOFXIMGKD-UHFFFAOYSA-N -1 3 360.780 3.289 20 0 FGADHM CCS[C@H]1CC[C@H](N(C)C(=O)Nc2cccc(-c3nnn[n-]3)c2C)C1 ZINC000821450007 607289628 /nfs/dbraw/zinc/28/96/28/607289628.db2.gz ZNZFJEVEAQENAZ-STQMWFEESA-N -1 3 360.487 3.313 20 0 FGADHM CCS[C@H]1CC[C@H](N(C)C(=O)Nc2cccc(-c3nn[n-]n3)c2C)C1 ZINC000821450007 607289629 /nfs/dbraw/zinc/28/96/29/607289629.db2.gz ZNZFJEVEAQENAZ-STQMWFEESA-N -1 3 360.487 3.313 20 0 FGADHM COc1cccc(F)c1[C@@H](C)NC(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821873085 607289790 /nfs/dbraw/zinc/28/97/90/607289790.db2.gz QYTLZUHZYMRVIC-LLVKDONJSA-N -1 3 370.388 3.206 20 0 FGADHM COc1cccc(F)c1[C@@H](C)NC(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821873085 607289791 /nfs/dbraw/zinc/28/97/91/607289791.db2.gz QYTLZUHZYMRVIC-LLVKDONJSA-N -1 3 370.388 3.206 20 0 FGADHM FC(F)c1nnc(NCCSCc2ccccc2-c2nnn[n-]2)s1 ZINC000822736603 607303227 /nfs/dbraw/zinc/30/32/27/607303227.db2.gz IDWIXKMGLNGUHR-UHFFFAOYSA-N -1 3 369.426 3.001 20 0 FGADHM FC(F)c1nnc(NCCSCc2ccccc2-c2nn[n-]n2)s1 ZINC000822736603 607303228 /nfs/dbraw/zinc/30/32/28/607303228.db2.gz IDWIXKMGLNGUHR-UHFFFAOYSA-N -1 3 369.426 3.001 20 0 FGADHM Cc1c(NC(=O)c2csc(Br)c2)cccc1-c1nnn[n-]1 ZINC000822115300 607294424 /nfs/dbraw/zinc/29/44/24/607294424.db2.gz APPVOHDYISXYOO-UHFFFAOYSA-N -1 3 364.228 3.251 20 0 FGADHM Cc1c(NC(=O)c2csc(Br)c2)cccc1-c1nn[n-]n1 ZINC000822115300 607294425 /nfs/dbraw/zinc/29/44/25/607294425.db2.gz APPVOHDYISXYOO-UHFFFAOYSA-N -1 3 364.228 3.251 20 0 FGADHM C[C@H](NC(=O)N[C@@H]1C[C@H]1C1CCCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820357749 599259350 /nfs/dbraw/zinc/25/93/50/599259350.db2.gz JQTCJTDWPWEBBI-AFAVFJNCSA-N -1 3 354.458 3.196 20 0 FGADHM C[C@H](NC(=O)N[C@@H]1C[C@H]1C1CCCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820357749 599259352 /nfs/dbraw/zinc/25/93/52/599259352.db2.gz JQTCJTDWPWEBBI-AFAVFJNCSA-N -1 3 354.458 3.196 20 0 FGADHM CCOc1ccc([C@@H](C)Nc2c(-c3nnn[n-]3)cnc3ccccc32)cc1 ZINC000736635961 599261024 /nfs/dbraw/zinc/26/10/24/599261024.db2.gz FXSJNHJCDQLWTL-CYBMUJFWSA-N -1 3 360.421 3.409 20 0 FGADHM CCOc1ccc([C@@H](C)Nc2c(-c3nn[n-]n3)cnc3ccccc32)cc1 ZINC000736635961 599261026 /nfs/dbraw/zinc/26/10/26/599261026.db2.gz FXSJNHJCDQLWTL-CYBMUJFWSA-N -1 3 360.421 3.409 20 0 FGADHM c1sc(CNc2cccc(Oc3cnccn3)c2)cc1-c1nnn[n-]1 ZINC000823756989 607309354 /nfs/dbraw/zinc/30/93/54/607309354.db2.gz IRSUYJNDPMHAQE-UHFFFAOYSA-N -1 3 351.395 3.123 20 0 FGADHM c1sc(CNc2cccc(Oc3cnccn3)c2)cc1-c1nn[n-]n1 ZINC000823756989 607309355 /nfs/dbraw/zinc/30/93/55/607309355.db2.gz IRSUYJNDPMHAQE-UHFFFAOYSA-N -1 3 351.395 3.123 20 0 FGADHM Fc1ccc(N(Cc2cccs2)C[C@@H]2CCCO2)c(-c2nnn[n-]2)c1 ZINC000822778971 607304805 /nfs/dbraw/zinc/30/48/05/607304805.db2.gz PYBOJJRMUCIGCW-ZDUSSCGKSA-N -1 3 359.430 3.253 20 0 FGADHM Fc1ccc(N(Cc2cccs2)C[C@@H]2CCCO2)c(-c2nn[n-]n2)c1 ZINC000822778971 607304806 /nfs/dbraw/zinc/30/48/06/607304806.db2.gz PYBOJJRMUCIGCW-ZDUSSCGKSA-N -1 3 359.430 3.253 20 0 FGADHM COc1ccc(Cl)c(NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000821825296 599268254 /nfs/dbraw/zinc/26/82/54/599268254.db2.gz VWAJHQNRLGNGEZ-JTQLQIEISA-N -1 3 372.816 3.411 20 0 FGADHM COc1ccc(Cl)c(NC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000821825296 599268256 /nfs/dbraw/zinc/26/82/56/599268256.db2.gz VWAJHQNRLGNGEZ-JTQLQIEISA-N -1 3 372.816 3.411 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CSCCC(C)C ZINC000736486958 599275840 /nfs/dbraw/zinc/27/58/40/599275840.db2.gz AEOWQOJGNLYUQY-UHFFFAOYSA-N -1 3 362.503 3.406 20 0 FGADHM CCC(CC)n1nccc1C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820903863 607319237 /nfs/dbraw/zinc/31/92/37/607319237.db2.gz ZDJCAOVMLMMLGH-UHFFFAOYSA-N -1 3 359.821 3.330 20 0 FGADHM CCC(CC)n1nccc1C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820903863 607319238 /nfs/dbraw/zinc/31/92/38/607319238.db2.gz ZDJCAOVMLMMLGH-UHFFFAOYSA-N -1 3 359.821 3.330 20 0 FGADHM Cc1c2c(sc1NC(=O)COc1ccccc1-c1nnn[n-]1)CCCC2 ZINC000737217336 599279348 /nfs/dbraw/zinc/27/93/48/599279348.db2.gz CFZHDZAXDMPMFK-UHFFFAOYSA-N -1 3 369.450 3.133 20 0 FGADHM Cc1c2c(sc1NC(=O)COc1ccccc1-c1nn[n-]n1)CCCC2 ZINC000737217336 599279350 /nfs/dbraw/zinc/27/93/50/599279350.db2.gz CFZHDZAXDMPMFK-UHFFFAOYSA-N -1 3 369.450 3.133 20 0 FGADHM C[C@@H](NC(=O)Nc1ccc2ccn(C)c2c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820380466 599285742 /nfs/dbraw/zinc/28/57/42/599285742.db2.gz UHLYMPHVJGEAGI-GFCCVEGCSA-N -1 3 361.409 3.241 20 0 FGADHM C[C@@H](NC(=O)Nc1ccc2ccn(C)c2c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820380466 599285746 /nfs/dbraw/zinc/28/57/46/599285746.db2.gz UHLYMPHVJGEAGI-GFCCVEGCSA-N -1 3 361.409 3.241 20 0 FGADHM CC[C@@H](C)CN(C)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820868556 599289359 /nfs/dbraw/zinc/28/93/59/599289359.db2.gz AFMHKUVRPSCWRW-SECBINFHSA-N -1 3 356.352 3.395 20 0 FGADHM CC[C@@H](C)CN(C)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820868556 599289361 /nfs/dbraw/zinc/28/93/61/599289361.db2.gz AFMHKUVRPSCWRW-SECBINFHSA-N -1 3 356.352 3.395 20 0 FGADHM Cc1c(NC(=O)c2cc(-c3ccccc3F)on2)cccc1-c1nnn[n-]1 ZINC000822102790 607321088 /nfs/dbraw/zinc/32/10/88/607321088.db2.gz CTTBAHGGXKSBBR-UHFFFAOYSA-N -1 3 364.340 3.222 20 0 FGADHM Cc1c(NC(=O)c2cc(-c3ccccc3F)on2)cccc1-c1nn[n-]n1 ZINC000822102790 607321089 /nfs/dbraw/zinc/32/10/89/607321089.db2.gz CTTBAHGGXKSBBR-UHFFFAOYSA-N -1 3 364.340 3.222 20 0 FGADHM O=C([O-])c1cccc(CNCc2ccc(NC(=O)c3cccnc3)cc2)c1 ZINC000821552727 598203504 /nfs/dbraw/zinc/20/35/04/598203504.db2.gz PUTCGPDYDKLLQK-UHFFFAOYSA-N -1 3 361.401 3.322 20 0 FGADHM O=C(N[C@H](c1ccc(F)cc1)C1CCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737999949 598233155 /nfs/dbraw/zinc/23/31/55/598233155.db2.gz VWHMUPDNLKNPFU-KRWDZBQOSA-N -1 3 351.385 3.277 20 0 FGADHM O=C(N[C@H](c1ccc(F)cc1)C1CCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737999949 598233157 /nfs/dbraw/zinc/23/31/57/598233157.db2.gz VWHMUPDNLKNPFU-KRWDZBQOSA-N -1 3 351.385 3.277 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000737639454 598236162 /nfs/dbraw/zinc/23/61/62/598236162.db2.gz BUWJSTQUAXLABJ-UHFFFAOYSA-N -1 3 363.400 3.266 20 0 FGADHM CC[C@H](C)[C@@H](C)N(C(=O)CSc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000736329170 598240723 /nfs/dbraw/zinc/24/07/23/598240723.db2.gz IOYKDDWMQNDWCL-QWHCGFSZSA-N -1 3 359.499 3.384 20 0 FGADHM CC[C@H](C)[C@@H](C)N(C(=O)CSc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000736329170 598240726 /nfs/dbraw/zinc/24/07/26/598240726.db2.gz IOYKDDWMQNDWCL-QWHCGFSZSA-N -1 3 359.499 3.384 20 0 FGADHM Fc1cccc(N[C@@H](c2ccc3c(c2)OCCO3)C2CC2)c1-c1nnn[n-]1 ZINC000737662629 598241066 /nfs/dbraw/zinc/24/10/66/598241066.db2.gz XGKOPBLJSYKZBC-GOSISDBHSA-N -1 3 367.384 3.340 20 0 FGADHM Fc1cccc(N[C@@H](c2ccc3c(c2)OCCO3)C2CC2)c1-c1nn[n-]n1 ZINC000737662629 598241067 /nfs/dbraw/zinc/24/10/67/598241067.db2.gz XGKOPBLJSYKZBC-GOSISDBHSA-N -1 3 367.384 3.340 20 0 FGADHM CC[C@@H](NC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1)c1nc(C)cs1 ZINC000736362456 598255019 /nfs/dbraw/zinc/25/50/19/598255019.db2.gz JHIWGGYEVMVNMV-BXUZGUMPSA-N -1 3 371.470 3.143 20 0 FGADHM CC[C@@H](NC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1)c1nc(C)cs1 ZINC000736362456 598255020 /nfs/dbraw/zinc/25/50/20/598255020.db2.gz JHIWGGYEVMVNMV-BXUZGUMPSA-N -1 3 371.470 3.143 20 0 FGADHM C[C@H](c1cccc(F)c1)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000736197891 598255984 /nfs/dbraw/zinc/25/59/84/598255984.db2.gz CUISEVGIDIUFDH-CYBMUJFWSA-N -1 3 370.407 3.028 20 0 FGADHM CC[C@@H](SCC(=O)NCc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000736393244 598273305 /nfs/dbraw/zinc/27/33/05/598273305.db2.gz UWJXRVKBBVQRQE-QGZVFWFLSA-N -1 3 367.478 3.367 20 0 FGADHM CC[C@@H](SCC(=O)NCc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000736393244 598273307 /nfs/dbraw/zinc/27/33/07/598273307.db2.gz UWJXRVKBBVQRQE-QGZVFWFLSA-N -1 3 367.478 3.367 20 0 FGADHM CN(C(=O)/C=C\Sc1ccccc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000736732175 598281645 /nfs/dbraw/zinc/28/16/45/598281645.db2.gz KXWYGNBMGAIUFV-KTKRTIGZSA-N -1 3 355.398 3.275 20 0 FGADHM CN(C(=O)/C=C\Sc1ccccc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736732175 598281646 /nfs/dbraw/zinc/28/16/46/598281646.db2.gz KXWYGNBMGAIUFV-KTKRTIGZSA-N -1 3 355.398 3.275 20 0 FGADHM CC[C@@H](NC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1)C1CCCCC1 ZINC000736360268 598283425 /nfs/dbraw/zinc/28/34/25/598283425.db2.gz ADGPJIWNHIPFFU-QGZVFWFLSA-N -1 3 356.474 3.367 20 0 FGADHM CC[C@@H](NC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1)C1CCCCC1 ZINC000736360268 598283426 /nfs/dbraw/zinc/28/34/26/598283426.db2.gz ADGPJIWNHIPFFU-QGZVFWFLSA-N -1 3 356.474 3.367 20 0 FGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)N[C@H]1CCCCc2ccccc21 ZINC000738101994 598284470 /nfs/dbraw/zinc/28/44/70/598284470.db2.gz NZVNSYJCNOKLPI-SFHVURJKSA-N -1 3 362.437 3.134 20 0 FGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)N[C@H]1CCCCc2ccccc21 ZINC000738101994 598284471 /nfs/dbraw/zinc/28/44/71/598284471.db2.gz NZVNSYJCNOKLPI-SFHVURJKSA-N -1 3 362.437 3.134 20 0 FGADHM C[C@H](NC(=O)[C@@H]1CCCc2sccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000820321817 607347333 /nfs/dbraw/zinc/34/73/33/607347333.db2.gz MTXPNXDTNMOIHP-XHDPSFHLSA-N -1 3 353.451 3.226 20 0 FGADHM C[C@H](NC(=O)[C@@H]1CCCc2sccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000820321817 607347334 /nfs/dbraw/zinc/34/73/34/607347334.db2.gz MTXPNXDTNMOIHP-XHDPSFHLSA-N -1 3 353.451 3.226 20 0 FGADHM C[C@@]1(C(=O)OCc2cc(-c3nnn[n-]3)ccc2F)CCCc2ccccc21 ZINC000736208103 598290606 /nfs/dbraw/zinc/29/06/06/598290606.db2.gz WCGFOUBEPGQLBL-HXUWFJFHSA-N -1 3 366.396 3.343 20 0 FGADHM C[C@@]1(C(=O)OCc2cc(-c3nn[n-]n3)ccc2F)CCCc2ccccc21 ZINC000736208103 598290608 /nfs/dbraw/zinc/29/06/08/598290608.db2.gz WCGFOUBEPGQLBL-HXUWFJFHSA-N -1 3 366.396 3.343 20 0 FGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)[C@H]1C[C@H]1c1cccc(Cl)c1 ZINC000738099416 598299931 /nfs/dbraw/zinc/29/99/31/598299931.db2.gz DTEWSRRSVYDFIY-GJZGRUSLSA-N -1 3 371.803 3.079 20 0 FGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)[C@H]1C[C@H]1c1cccc(Cl)c1 ZINC000738099416 598299933 /nfs/dbraw/zinc/29/99/33/598299933.db2.gz DTEWSRRSVYDFIY-GJZGRUSLSA-N -1 3 371.803 3.079 20 0 FGADHM CC(C)Cc1ccc(CC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000735849697 598302639 /nfs/dbraw/zinc/30/26/39/598302639.db2.gz KPNAYAUCKLVWRY-UHFFFAOYSA-N -1 3 367.428 3.063 20 0 FGADHM CC(C)Cc1ccc(CC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000735849697 598302640 /nfs/dbraw/zinc/30/26/40/598302640.db2.gz KPNAYAUCKLVWRY-UHFFFAOYSA-N -1 3 367.428 3.063 20 0 FGADHM O=C(Cc1cccc2ccccc21)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737968485 598306621 /nfs/dbraw/zinc/30/66/21/598306621.db2.gz HMDNOPPDXBQTGZ-UHFFFAOYSA-N -1 3 361.380 3.018 20 0 FGADHM O=C(Cc1cccc2ccccc21)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737968485 598306622 /nfs/dbraw/zinc/30/66/22/598306622.db2.gz HMDNOPPDXBQTGZ-UHFFFAOYSA-N -1 3 361.380 3.018 20 0 FGADHM Cc1ccc(NC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1Cl ZINC000737360075 598316417 /nfs/dbraw/zinc/31/64/17/598316417.db2.gz LIFVAFVMXOVGKB-UHFFFAOYSA-N -1 3 360.780 3.289 20 0 FGADHM Cc1ccc(NC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1Cl ZINC000737360075 598316419 /nfs/dbraw/zinc/31/64/19/598316419.db2.gz LIFVAFVMXOVGKB-UHFFFAOYSA-N -1 3 360.780 3.289 20 0 FGADHM S=C(NCC1CCCCC1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000738402171 598317572 /nfs/dbraw/zinc/31/75/72/598317572.db2.gz YUXNGIRJMTUFGP-UHFFFAOYSA-N -1 3 350.879 3.387 20 0 FGADHM S=C(NCC1CCCCC1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000738402171 598317574 /nfs/dbraw/zinc/31/75/74/598317574.db2.gz YUXNGIRJMTUFGP-UHFFFAOYSA-N -1 3 350.879 3.387 20 0 FGADHM CCC1CCN(C(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000736407883 598322210 /nfs/dbraw/zinc/32/22/10/598322210.db2.gz HWSIFOZQORZMQD-UHFFFAOYSA-N -1 3 350.879 3.339 20 0 FGADHM CCC1CCN(C(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000736407883 598322212 /nfs/dbraw/zinc/32/22/12/598322212.db2.gz HWSIFOZQORZMQD-UHFFFAOYSA-N -1 3 350.879 3.339 20 0 FGADHM CCC[C@@H](CC)NC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000736425673 598327385 /nfs/dbraw/zinc/32/73/85/598327385.db2.gz WSVWQGKGPMKDAS-OAHLLOKOSA-N -1 3 369.425 3.347 20 0 FGADHM CCC[C@@H](CC)NC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000736425673 598327387 /nfs/dbraw/zinc/32/73/87/598327387.db2.gz WSVWQGKGPMKDAS-OAHLLOKOSA-N -1 3 369.425 3.347 20 0 FGADHM CCN(Cc1ccccc1C)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000736555339 598328065 /nfs/dbraw/zinc/32/80/65/598328065.db2.gz GOXLSSYCBCYGOE-UHFFFAOYSA-N -1 3 368.416 3.046 20 0 FGADHM CCN(Cc1ccccc1C)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000736555339 598328067 /nfs/dbraw/zinc/32/80/67/598328067.db2.gz GOXLSSYCBCYGOE-UHFFFAOYSA-N -1 3 368.416 3.046 20 0 FGADHM Cc1cc(F)ccc1C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000822204122 607351492 /nfs/dbraw/zinc/35/14/92/607351492.db2.gz FJJHBKDSADVDPN-UHFFFAOYSA-N -1 3 353.401 3.365 20 0 FGADHM Cc1cc(F)ccc1C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000822204122 607351494 /nfs/dbraw/zinc/35/14/94/607351494.db2.gz FJJHBKDSADVDPN-UHFFFAOYSA-N -1 3 353.401 3.365 20 0 FGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)N1CCC2(CCCCC2)CC1 ZINC000738101867 598358385 /nfs/dbraw/zinc/35/83/85/598358385.db2.gz MJKGYJSERNNUOH-UHFFFAOYSA-N -1 3 354.458 3.123 20 0 FGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)N1CCC2(CCCCC2)CC1 ZINC000738101867 598358387 /nfs/dbraw/zinc/35/83/87/598358387.db2.gz MJKGYJSERNNUOH-UHFFFAOYSA-N -1 3 354.458 3.123 20 0 FGADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)N1CCC2(CCCCC2)CC1 ZINC000738112261 598358523 /nfs/dbraw/zinc/35/85/23/598358523.db2.gz NZZRSJNKGPDHNW-UHFFFAOYSA-N -1 3 354.458 3.123 20 0 FGADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)N1CCC2(CCCCC2)CC1 ZINC000738112261 598358524 /nfs/dbraw/zinc/35/85/24/598358524.db2.gz NZZRSJNKGPDHNW-UHFFFAOYSA-N -1 3 354.458 3.123 20 0 FGADHM O=C(OCCOc1ccc(-c2nn[n-]n2)cc1)c1ccc(C(F)F)cc1 ZINC000738223545 598360282 /nfs/dbraw/zinc/36/02/82/598360282.db2.gz SOQQSFIAUUTQMP-UHFFFAOYSA-N -1 3 360.320 3.040 20 0 FGADHM C[C@H](CC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1)c1ccccc1F ZINC000735975948 598364900 /nfs/dbraw/zinc/36/49/00/598364900.db2.gz RFTFAIDDHLCDPO-CYBMUJFWSA-N -1 3 353.401 3.158 20 0 FGADHM C[C@H](CC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1)c1ccccc1F ZINC000735975948 598364901 /nfs/dbraw/zinc/36/49/01/598364901.db2.gz RFTFAIDDHLCDPO-CYBMUJFWSA-N -1 3 353.401 3.158 20 0 FGADHM Clc1ccccc1C1(CNc2ncccc2-c2nnn[n-]2)CCOCC1 ZINC000737582834 598365336 /nfs/dbraw/zinc/36/53/36/598365336.db2.gz GATYBKIKJQHLOM-UHFFFAOYSA-N -1 3 370.844 3.075 20 0 FGADHM Clc1ccccc1C1(CNc2ncccc2-c2nn[n-]n2)CCOCC1 ZINC000737582834 598365338 /nfs/dbraw/zinc/36/53/38/598365338.db2.gz GATYBKIKJQHLOM-UHFFFAOYSA-N -1 3 370.844 3.075 20 0 FGADHM Cc1ccc(SC[C@H](O)COc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000737368870 598369943 /nfs/dbraw/zinc/36/99/43/598369943.db2.gz NQDOXNSDGHRCDL-OAHLLOKOSA-N -1 3 356.451 3.016 20 0 FGADHM Cc1ccc(C)c(N(C(=O)COc2ccc(-c3nn[n-]n3)cc2)C(C)C)c1 ZINC000737322289 598373410 /nfs/dbraw/zinc/37/34/10/598373410.db2.gz LKHDMUBSFYBMTO-UHFFFAOYSA-N -1 3 365.437 3.304 20 0 FGADHM Cc1cc(C)c(-c2nnn[n-]2)c(NCc2ccc(Br)cc2)n1 ZINC000737240610 598388233 /nfs/dbraw/zinc/38/82/33/598388233.db2.gz LTWTZQQFSPOBCF-UHFFFAOYSA-N -1 3 359.231 3.253 20 0 FGADHM Cc1cc(C)c(-c2nn[n-]n2)c(NCc2ccc(Br)cc2)n1 ZINC000737240610 598388235 /nfs/dbraw/zinc/38/82/35/598388235.db2.gz LTWTZQQFSPOBCF-UHFFFAOYSA-N -1 3 359.231 3.253 20 0 FGADHM Clc1cc(-c2nnn[n-]2)cnc1NCc1cccc(Br)c1 ZINC000737557116 598392366 /nfs/dbraw/zinc/39/23/66/598392366.db2.gz BWKHUKWBVDKBOE-UHFFFAOYSA-N -1 3 365.622 3.290 20 0 FGADHM Clc1cc(-c2nn[n-]n2)cnc1NCc1cccc(Br)c1 ZINC000737557116 598392368 /nfs/dbraw/zinc/39/23/68/598392368.db2.gz BWKHUKWBVDKBOE-UHFFFAOYSA-N -1 3 365.622 3.290 20 0 FGADHM Cc1[nH]c2ccccc2c1CCNC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000737199038 598397553 /nfs/dbraw/zinc/39/75/53/598397553.db2.gz LSDNMMIWMFKWKF-UHFFFAOYSA-N -1 3 361.409 3.021 20 0 FGADHM Cc1[nH]c2ccccc2c1CCNC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000737199038 598397554 /nfs/dbraw/zinc/39/75/54/598397554.db2.gz LSDNMMIWMFKWKF-UHFFFAOYSA-N -1 3 361.409 3.021 20 0 FGADHM COc1ccccc1C[C@H](C)CC(=O)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000737154066 598431880 /nfs/dbraw/zinc/43/18/80/598431880.db2.gz XNUGAQSIJWCUII-AWEZNQCLSA-N -1 3 366.421 3.187 20 0 FGADHM COc1ccccc1C[C@H](C)CC(=O)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000737154066 598431881 /nfs/dbraw/zinc/43/18/81/598431881.db2.gz XNUGAQSIJWCUII-AWEZNQCLSA-N -1 3 366.421 3.187 20 0 FGADHM COc1ccc([C@H](C)C(=O)Nc2sc(C)c(C)c2-c2nnn[n-]2)cc1 ZINC000737072883 598437264 /nfs/dbraw/zinc/43/72/64/598437264.db2.gz OPGJIHNVKRLZFR-JTQLQIEISA-N -1 3 357.439 3.296 20 0 FGADHM COc1ccc([C@H](C)C(=O)Nc2sc(C)c(C)c2-c2nn[n-]n2)cc1 ZINC000737072883 598437265 /nfs/dbraw/zinc/43/72/65/598437265.db2.gz OPGJIHNVKRLZFR-JTQLQIEISA-N -1 3 357.439 3.296 20 0 FGADHM c1csc(Cc2nnc(SCc3cccc(-c4nnn[n-]4)c3)o2)c1 ZINC000738413229 598440640 /nfs/dbraw/zinc/44/06/40/598440640.db2.gz OROYHPLMQISCPZ-UHFFFAOYSA-N -1 3 356.436 3.194 20 0 FGADHM c1csc(Cc2nnc(SCc3cccc(-c4nn[n-]n4)c3)o2)c1 ZINC000738413229 598440642 /nfs/dbraw/zinc/44/06/42/598440642.db2.gz OROYHPLMQISCPZ-UHFFFAOYSA-N -1 3 356.436 3.194 20 0 FGADHM COC(C)(C)C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000736956497 598448631 /nfs/dbraw/zinc/44/86/31/598448631.db2.gz ASOCNQDNAJVZHS-UHFFFAOYSA-N -1 3 367.409 3.331 20 0 FGADHM COC(C)(C)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000736956497 598448632 /nfs/dbraw/zinc/44/86/32/598448632.db2.gz ASOCNQDNAJVZHS-UHFFFAOYSA-N -1 3 367.409 3.331 20 0 FGADHM CSCc1ccc(NC(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737180512 598450050 /nfs/dbraw/zinc/45/00/50/598450050.db2.gz AMDLFLUSZNDPSB-GFCCVEGCSA-N -1 3 369.450 3.136 20 0 FGADHM O=C(NCC1(c2ccc(Cl)cc2)CC1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000738039196 598468241 /nfs/dbraw/zinc/46/82/41/598468241.db2.gz LGQABXMWYPRWIN-UHFFFAOYSA-N -1 3 368.828 3.373 20 0 FGADHM O=C(NCC1(c2ccc(Cl)cc2)CC1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000738039196 598468242 /nfs/dbraw/zinc/46/82/42/598468242.db2.gz LGQABXMWYPRWIN-UHFFFAOYSA-N -1 3 368.828 3.373 20 0 FGADHM CC[C@@](C)(NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000736312318 598483746 /nfs/dbraw/zinc/48/37/46/598483746.db2.gz BHVMJGQVABNGBQ-LJQANCHMSA-N -1 3 368.416 3.130 20 0 FGADHM CC[C@@](C)(NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000736312318 598483748 /nfs/dbraw/zinc/48/37/48/598483748.db2.gz BHVMJGQVABNGBQ-LJQANCHMSA-N -1 3 368.416 3.130 20 0 FGADHM C[C@@H](Oc1ccc(F)c(F)c1)C(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000736179106 598484794 /nfs/dbraw/zinc/48/47/94/598484794.db2.gz ZALCIAILGLUTQV-WDEREUQCSA-N -1 3 374.347 3.217 20 0 FGADHM C[C@@H](Oc1ccc(F)c(F)c1)C(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000736179106 598484796 /nfs/dbraw/zinc/48/47/96/598484796.db2.gz ZALCIAILGLUTQV-WDEREUQCSA-N -1 3 374.347 3.217 20 0 FGADHM COc1ccc([C@@H](C)C(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737073436 598485611 /nfs/dbraw/zinc/48/56/11/598485611.db2.gz QLQRVKFSEHPVDA-CHWSQXEVSA-N -1 3 352.394 3.283 20 0 FGADHM COc1ccc([C@@H](C)C(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737073436 598485612 /nfs/dbraw/zinc/48/56/12/598485612.db2.gz QLQRVKFSEHPVDA-CHWSQXEVSA-N -1 3 352.394 3.283 20 0 FGADHM COc1cc(CC(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)ccc1C ZINC000737044256 598488341 /nfs/dbraw/zinc/48/83/41/598488341.db2.gz NCXDBXKLJWURHW-CYBMUJFWSA-N -1 3 352.394 3.031 20 0 FGADHM COc1cc(CC(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)ccc1C ZINC000737044256 598488342 /nfs/dbraw/zinc/48/83/42/598488342.db2.gz NCXDBXKLJWURHW-CYBMUJFWSA-N -1 3 352.394 3.031 20 0 FGADHM C[C@@H](OC(=O)c1cc(Cl)c(Cl)n1C)c1cccc(-c2nnn[n-]2)c1 ZINC000736159777 598488728 /nfs/dbraw/zinc/48/87/28/598488728.db2.gz OPMBXXHPXVHWGE-MRVPVSSYSA-N -1 3 366.208 3.430 20 0 FGADHM C[C@@H](OC(=O)c1cc(Cl)c(Cl)n1C)c1cccc(-c2nn[n-]n2)c1 ZINC000736159777 598488730 /nfs/dbraw/zinc/48/87/30/598488730.db2.gz OPMBXXHPXVHWGE-MRVPVSSYSA-N -1 3 366.208 3.430 20 0 FGADHM C[C@H](OC(=O)c1nc(Cl)ccc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000736164886 598491787 /nfs/dbraw/zinc/49/17/87/598491787.db2.gz QOKDMUSXELCBJN-QMMMGPOBSA-N -1 3 364.192 3.487 20 0 FGADHM C[C@H](OC(=O)c1nc(Cl)ccc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000736164886 598491788 /nfs/dbraw/zinc/49/17/88/598491788.db2.gz QOKDMUSXELCBJN-QMMMGPOBSA-N -1 3 364.192 3.487 20 0 FGADHM CSc1nc(C2CC2)cc(C(=O)N[C@H]2CC[C@H](C)CC2)c1-c1nnn[n-]1 ZINC000737190253 598497205 /nfs/dbraw/zinc/49/72/05/598497205.db2.gz WYCQPZRBUVLOPR-UMSPYCQHSA-N -1 3 372.498 3.170 20 0 FGADHM O[C@@H](CNc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccc(Cl)cc1 ZINC000738380542 598508742 /nfs/dbraw/zinc/50/87/42/598508742.db2.gz CBEVGFMIBHHRJC-AWEZNQCLSA-N -1 3 350.209 3.319 20 0 FGADHM O[C@@H](CNc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc(Cl)cc1 ZINC000738380542 598508744 /nfs/dbraw/zinc/50/87/44/598508744.db2.gz CBEVGFMIBHHRJC-AWEZNQCLSA-N -1 3 350.209 3.319 20 0 FGADHM CCc1c(C)sc(NC(=O)CCOCc2ccccc2)c1-c1nnn[n-]1 ZINC000736669783 598513873 /nfs/dbraw/zinc/51/38/73/598513873.db2.gz KVQNFRRRUAYOSF-UHFFFAOYSA-N -1 3 371.466 3.344 20 0 FGADHM CCc1c(C)sc(NC(=O)CCOCc2ccccc2)c1-c1nn[n-]n1 ZINC000736669783 598513875 /nfs/dbraw/zinc/51/38/75/598513875.db2.gz KVQNFRRRUAYOSF-UHFFFAOYSA-N -1 3 371.466 3.344 20 0 FGADHM O=C(NC1CC1)[C@@H](Sc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1 ZINC000738022752 598514396 /nfs/dbraw/zinc/51/43/96/598514396.db2.gz SLNVPYHEQHXVJP-INIZCTEOSA-N -1 3 369.425 3.118 20 0 FGADHM O=C(NC1CC1)[C@@H](Sc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1 ZINC000738022752 598514397 /nfs/dbraw/zinc/51/43/97/598514397.db2.gz SLNVPYHEQHXVJP-INIZCTEOSA-N -1 3 369.425 3.118 20 0 FGADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Oc1cccc(F)c1F ZINC000735735201 598518146 /nfs/dbraw/zinc/51/81/46/598518146.db2.gz LWBAQZUBMZBFSS-INIZCTEOSA-N -1 3 374.347 3.154 20 0 FGADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Oc1cccc(F)c1F ZINC000735735201 598518147 /nfs/dbraw/zinc/51/81/47/598518147.db2.gz LWBAQZUBMZBFSS-INIZCTEOSA-N -1 3 374.347 3.154 20 0 FGADHM CCC[C@@H](C)N(C)C(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000736421698 598540747 /nfs/dbraw/zinc/54/07/47/598540747.db2.gz CADNQTJHQUFIPP-CYBMUJFWSA-N -1 3 369.425 3.299 20 0 FGADHM Cc1nn(C)c(Cl)c1[C@@H]1CCCN1c1cccc(F)c1-c1nnn[n-]1 ZINC000737509921 598544947 /nfs/dbraw/zinc/54/49/47/598544947.db2.gz AEPOBWULDOJBMR-NSHDSACASA-N -1 3 361.812 3.043 20 0 FGADHM Cc1nn(C)c(Cl)c1[C@@H]1CCCN1c1cccc(F)c1-c1nn[n-]n1 ZINC000737509921 598544948 /nfs/dbraw/zinc/54/49/48/598544948.db2.gz AEPOBWULDOJBMR-NSHDSACASA-N -1 3 361.812 3.043 20 0 FGADHM Fc1ccc(Br)c(COc2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC000737651176 598548978 /nfs/dbraw/zinc/54/89/78/598548978.db2.gz QMJYWUZILWLXHG-UHFFFAOYSA-N -1 3 367.153 3.486 20 0 FGADHM Fc1ccc(Br)c(COc2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC000737651176 598548980 /nfs/dbraw/zinc/54/89/80/598548980.db2.gz QMJYWUZILWLXHG-UHFFFAOYSA-N -1 3 367.153 3.486 20 0 FGADHM C[C@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2)c1ccccc1F ZINC000735570948 598551689 /nfs/dbraw/zinc/55/16/89/598551689.db2.gz QGOPACUKKXZTMX-VIFPVBQESA-N -1 3 357.414 3.298 20 0 FGADHM C[C@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2)c1ccccc1F ZINC000735570948 598551691 /nfs/dbraw/zinc/55/16/91/598551691.db2.gz QGOPACUKKXZTMX-VIFPVBQESA-N -1 3 357.414 3.298 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H](C)c1ccccc1F ZINC000736634784 598553273 /nfs/dbraw/zinc/55/32/73/598553273.db2.gz IPQWIFKJNKTHFS-NSHDSACASA-N -1 3 355.373 3.147 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H](C)c1ccccc1F ZINC000736634784 598553275 /nfs/dbraw/zinc/55/32/75/598553275.db2.gz IPQWIFKJNKTHFS-NSHDSACASA-N -1 3 355.373 3.147 20 0 FGADHM Cc1cc(F)cc2c1N(C(=O)CCc1ccc(-c3nnn[n-]3)cc1)CCC2 ZINC000737265228 598553945 /nfs/dbraw/zinc/55/39/45/598553945.db2.gz ZSNAZKDWGIHELJ-UHFFFAOYSA-N -1 3 365.412 3.226 20 0 FGADHM Cc1cc(F)cc2c1N(C(=O)CCc1ccc(-c3nn[n-]n3)cc1)CCC2 ZINC000737265228 598553947 /nfs/dbraw/zinc/55/39/47/598553947.db2.gz ZSNAZKDWGIHELJ-UHFFFAOYSA-N -1 3 365.412 3.226 20 0 FGADHM O[C@]1(CNc2ccc(Cl)cc2-c2nnn[n-]2)CCCc2ccccc21 ZINC000738390165 598557895 /nfs/dbraw/zinc/55/78/95/598557895.db2.gz PWEWXBYPBXAPML-SFHVURJKSA-N -1 3 355.829 3.156 20 0 FGADHM O[C@]1(CNc2ccc(Cl)cc2-c2nn[n-]n2)CCCc2ccccc21 ZINC000738390165 598557896 /nfs/dbraw/zinc/55/78/96/598557896.db2.gz PWEWXBYPBXAPML-SFHVURJKSA-N -1 3 355.829 3.156 20 0 FGADHM CCCN(CC1CC1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000736469921 598560661 /nfs/dbraw/zinc/56/06/61/598560661.db2.gz GOILOLDSDKWPOU-UHFFFAOYSA-N -1 3 366.372 3.122 20 0 FGADHM CCCN(CC1CC1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000736469921 598560663 /nfs/dbraw/zinc/56/06/63/598560663.db2.gz GOILOLDSDKWPOU-UHFFFAOYSA-N -1 3 366.372 3.122 20 0 FGADHM O=C(CCCOc1ccc(Cl)cc1)Nc1ccccc1-c1nnn[n-]1 ZINC000737838063 598573934 /nfs/dbraw/zinc/57/39/34/598573934.db2.gz YEHZJEAIAJPMOH-UHFFFAOYSA-N -1 3 357.801 3.318 20 0 FGADHM O=C(CCCOc1ccc(Cl)cc1)Nc1ccccc1-c1nn[n-]n1 ZINC000737838063 598573936 /nfs/dbraw/zinc/57/39/36/598573936.db2.gz YEHZJEAIAJPMOH-UHFFFAOYSA-N -1 3 357.801 3.318 20 0 FGADHM CCc1cccc(NC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736700556 598574307 /nfs/dbraw/zinc/57/43/07/598574307.db2.gz UQJWSNBDHPRPME-GOSISDBHSA-N -1 3 362.437 3.037 20 0 FGADHM CCCCCC[C@H](C)NC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000736447222 598580665 /nfs/dbraw/zinc/58/06/65/598580665.db2.gz SEHCOKITROQJBY-MAUKXSAKSA-N -1 3 370.501 3.311 20 0 FGADHM Fc1cc(Nc2ncccn2)ccc1OCc1cccc(-c2nnn[n-]2)c1 ZINC000737648547 598581945 /nfs/dbraw/zinc/58/19/45/598581945.db2.gz AIXYEKXYKVCFQL-UHFFFAOYSA-N -1 3 363.356 3.118 20 0 FGADHM Fc1cc(Nc2ncccn2)ccc1OCc1cccc(-c2nn[n-]n2)c1 ZINC000737648547 598581947 /nfs/dbraw/zinc/58/19/47/598581947.db2.gz AIXYEKXYKVCFQL-UHFFFAOYSA-N -1 3 363.356 3.118 20 0 FGADHM CSCc1cccc(NC(=O)CCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737186915 598588227 /nfs/dbraw/zinc/58/82/27/598588227.db2.gz LQDMYQCAINYBOR-UHFFFAOYSA-N -1 3 353.451 3.301 20 0 FGADHM CSCc1cccc(NC(=O)CCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737186915 598588229 /nfs/dbraw/zinc/58/82/29/598588229.db2.gz LQDMYQCAINYBOR-UHFFFAOYSA-N -1 3 353.451 3.301 20 0 FGADHM CC(C)c1ccccc1OCC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000735932498 598590077 /nfs/dbraw/zinc/59/00/77/598590077.db2.gz NALDETMGWCAVHN-UHFFFAOYSA-N -1 3 355.373 3.147 20 0 FGADHM CC(C)c1ccccc1OCC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000735932498 598590078 /nfs/dbraw/zinc/59/00/78/598590078.db2.gz NALDETMGWCAVHN-UHFFFAOYSA-N -1 3 355.373 3.147 20 0 FGADHM CC(C)=CC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000735680311 598591374 /nfs/dbraw/zinc/59/13/74/598591374.db2.gz UBWPCZWCXXYHRO-UHFFFAOYSA-N -1 3 367.384 3.490 20 0 FGADHM CC(C)=CC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000735680311 598591376 /nfs/dbraw/zinc/59/13/76/598591376.db2.gz UBWPCZWCXXYHRO-UHFFFAOYSA-N -1 3 367.384 3.490 20 0 FGADHM CCCC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000736414967 598593231 /nfs/dbraw/zinc/59/32/31/598593231.db2.gz CHJKIFAIQSIKSG-UHFFFAOYSA-N -1 3 355.373 3.323 20 0 FGADHM CCCC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000736414967 598593232 /nfs/dbraw/zinc/59/32/32/598593232.db2.gz CHJKIFAIQSIKSG-UHFFFAOYSA-N -1 3 355.373 3.323 20 0 FGADHM c1ccc(SC2(CNc3nc4c(cc3-c3nnn[n-]3)CCC4)CC2)cc1 ZINC000738432937 598594537 /nfs/dbraw/zinc/59/45/37/598594537.db2.gz KPWZWRZDBWGLKS-UHFFFAOYSA-N -1 3 364.478 3.487 20 0 FGADHM c1ccc(SC2(CNc3nc4c(cc3-c3nn[n-]n3)CCC4)CC2)cc1 ZINC000738432937 598594539 /nfs/dbraw/zinc/59/45/39/598594539.db2.gz KPWZWRZDBWGLKS-UHFFFAOYSA-N -1 3 364.478 3.487 20 0 FGADHM c1ccc(Cc2nc(CSCc3cccc(-c4nnn[n-]4)c3)no2)cc1 ZINC000738432415 598597146 /nfs/dbraw/zinc/59/71/46/598597146.db2.gz GLRUOOSWXZUEQV-UHFFFAOYSA-N -1 3 364.434 3.274 20 0 FGADHM c1ccc(Cc2nc(CSCc3cccc(-c4nn[n-]n4)c3)no2)cc1 ZINC000738432415 598597147 /nfs/dbraw/zinc/59/71/47/598597147.db2.gz GLRUOOSWXZUEQV-UHFFFAOYSA-N -1 3 364.434 3.274 20 0 FGADHM CC(C)c1ccc(NC(=O)CNc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000735929394 598602876 /nfs/dbraw/zinc/60/28/76/598602876.db2.gz YFTPXIBVCYYLJQ-UHFFFAOYSA-N -1 3 354.389 3.180 20 0 FGADHM CC(C)c1ccc(NC(=O)CNc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000735929394 598602877 /nfs/dbraw/zinc/60/28/77/598602877.db2.gz YFTPXIBVCYYLJQ-UHFFFAOYSA-N -1 3 354.389 3.180 20 0 FGADHM CC(C)(CNC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000735670266 598622904 /nfs/dbraw/zinc/62/29/04/598622904.db2.gz LBWVPNYRKYDMBY-UHFFFAOYSA-N -1 3 354.389 3.105 20 0 FGADHM CC(C)(CNC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000735670266 598622905 /nfs/dbraw/zinc/62/29/05/598622905.db2.gz LBWVPNYRKYDMBY-UHFFFAOYSA-N -1 3 354.389 3.105 20 0 FGADHM O=C(NCc1cc2ccccc2o1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738102226 598627898 /nfs/dbraw/zinc/62/78/98/598627898.db2.gz QKNRIUIBUVXTJN-UHFFFAOYSA-N -1 3 352.329 3.074 20 0 FGADHM O=C(NCc1cc2ccccc2o1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738102226 598627899 /nfs/dbraw/zinc/62/78/99/598627899.db2.gz QKNRIUIBUVXTJN-UHFFFAOYSA-N -1 3 352.329 3.074 20 0 FGADHM Cc1ccc(CN(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C2CC2)o1 ZINC000737336420 598629253 /nfs/dbraw/zinc/62/92/53/598629253.db2.gz CMJIQVXSMZTVKB-UHFFFAOYSA-N -1 3 356.361 3.104 20 0 FGADHM Cc1ccc(CN(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C2CC2)o1 ZINC000737336420 598629254 /nfs/dbraw/zinc/62/92/54/598629254.db2.gz CMJIQVXSMZTVKB-UHFFFAOYSA-N -1 3 356.361 3.104 20 0 FGADHM Fc1ccc(NCC2(c3ccccc3)CCOCC2)c(-c2nnn[n-]2)c1 ZINC000737661473 598633494 /nfs/dbraw/zinc/63/34/94/598633494.db2.gz XAUUIGORXSHSHR-UHFFFAOYSA-N -1 3 353.401 3.166 20 0 FGADHM Fc1ccc(NCC2(c3ccccc3)CCOCC2)c(-c2nn[n-]n2)c1 ZINC000737661473 598633496 /nfs/dbraw/zinc/63/34/96/598633496.db2.gz XAUUIGORXSHSHR-UHFFFAOYSA-N -1 3 353.401 3.166 20 0 FGADHM O=C(NCCc1cccc(Cl)c1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738087583 598634820 /nfs/dbraw/zinc/63/48/20/598634820.db2.gz GORPEVZDYHSWAS-UHFFFAOYSA-N -1 3 360.780 3.023 20 0 FGADHM O=C(NCCc1cccc(Cl)c1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738087583 598634823 /nfs/dbraw/zinc/63/48/23/598634823.db2.gz GORPEVZDYHSWAS-UHFFFAOYSA-N -1 3 360.780 3.023 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)NC1(c2ccc(F)cc2)CCC1 ZINC000738167761 598634953 /nfs/dbraw/zinc/63/49/53/598634953.db2.gz UIMBYDYOVXNPMO-UHFFFAOYSA-N -1 3 370.363 3.346 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)NC1(c2ccc(F)cc2)CCC1 ZINC000738167761 598634954 /nfs/dbraw/zinc/63/49/54/598634954.db2.gz UIMBYDYOVXNPMO-UHFFFAOYSA-N -1 3 370.363 3.346 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@@H](C)CSc1ccccc1 ZINC000737025788 598646782 /nfs/dbraw/zinc/64/67/82/598646782.db2.gz NATPKQQDEMQZCQ-LBPRGKRZSA-N -1 3 370.434 3.209 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@@H](C)CSc1ccccc1 ZINC000737025788 598646784 /nfs/dbraw/zinc/64/67/84/598646784.db2.gz NATPKQQDEMQZCQ-LBPRGKRZSA-N -1 3 370.434 3.209 20 0 FGADHM C[C@H](CSc1ccccc1)C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736047539 598649844 /nfs/dbraw/zinc/64/98/44/598649844.db2.gz RGNHOIMDKQITKI-KGLIPLIRSA-N -1 3 367.478 3.472 20 0 FGADHM C[C@H](CSc1ccccc1)C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736047539 598649846 /nfs/dbraw/zinc/64/98/46/598649846.db2.gz RGNHOIMDKQITKI-KGLIPLIRSA-N -1 3 367.478 3.472 20 0 FGADHM CC(C)Oc1ccc(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735913301 598653348 /nfs/dbraw/zinc/65/33/48/598653348.db2.gz AXCRKTKVVDWYDX-UHFFFAOYSA-N -1 3 369.450 3.385 20 0 FGADHM CC(C)Oc1ccc(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735913301 598653350 /nfs/dbraw/zinc/65/33/50/598653350.db2.gz AXCRKTKVVDWYDX-UHFFFAOYSA-N -1 3 369.450 3.385 20 0 FGADHM CCN(C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)[C@@H](C)C(C)C ZINC000736501565 598656421 /nfs/dbraw/zinc/65/64/21/598656421.db2.gz FKHUNVBJSQORRS-HNNXBMFYSA-N -1 3 359.474 3.309 20 0 FGADHM CCN(C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)[C@@H](C)C(C)C ZINC000736501565 598656422 /nfs/dbraw/zinc/65/64/22/598656422.db2.gz FKHUNVBJSQORRS-HNNXBMFYSA-N -1 3 359.474 3.309 20 0 FGADHM C[C@H](CNC(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1 ZINC000736014729 598656448 /nfs/dbraw/zinc/65/64/48/598656448.db2.gz PXBIMIKRMWMSPS-GFCCVEGCSA-N -1 3 371.441 3.018 20 0 FGADHM C[C@H](CNC(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1 ZINC000736014729 598656450 /nfs/dbraw/zinc/65/64/50/598656450.db2.gz PXBIMIKRMWMSPS-GFCCVEGCSA-N -1 3 371.441 3.018 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C[C@H](C)c1ccccc1OC ZINC000737059641 598658345 /nfs/dbraw/zinc/65/83/45/598658345.db2.gz XQUGDGGRKXBZKM-LBPRGKRZSA-N -1 3 367.409 3.016 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C[C@H](C)c1ccccc1OC ZINC000737059641 598658346 /nfs/dbraw/zinc/65/83/46/598658346.db2.gz XQUGDGGRKXBZKM-LBPRGKRZSA-N -1 3 367.409 3.016 20 0 FGADHM CC(C)(Cc1ccccc1Cl)NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000735670652 598659731 /nfs/dbraw/zinc/65/97/31/598659731.db2.gz GDJVTBGHZUBIAD-UHFFFAOYSA-N -1 3 355.829 3.271 20 0 FGADHM CC(C)(Cc1ccccc1Cl)NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000735670652 598659732 /nfs/dbraw/zinc/65/97/32/598659732.db2.gz GDJVTBGHZUBIAD-UHFFFAOYSA-N -1 3 355.829 3.271 20 0 FGADHM Fc1ccc2c(C3CCN(c4ccc(-c5nnn[n-]5)cn4)CC3)c[nH]c2c1 ZINC000737657092 598677178 /nfs/dbraw/zinc/67/71/78/598677178.db2.gz UTETYYXGDKZPJA-UHFFFAOYSA-N -1 3 363.400 3.266 20 0 FGADHM Fc1ccc2c(C3CCN(c4ccc(-c5nn[n-]n5)cn4)CC3)c[nH]c2c1 ZINC000737657092 598677180 /nfs/dbraw/zinc/67/71/80/598677180.db2.gz UTETYYXGDKZPJA-UHFFFAOYSA-N -1 3 363.400 3.266 20 0 FGADHM CC[C@@H]1CCCN(C(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)C1 ZINC000736399638 598683592 /nfs/dbraw/zinc/68/35/92/598683592.db2.gz JJUKKABMHQQNFT-OAHLLOKOSA-N -1 3 357.458 3.064 20 0 FGADHM CC[C@@H]1CCCN(C(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)C1 ZINC000736399638 598683593 /nfs/dbraw/zinc/68/35/93/598683593.db2.gz JJUKKABMHQQNFT-OAHLLOKOSA-N -1 3 357.458 3.064 20 0 FGADHM Cc1cc(C)cc(NC(=O)CSCc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000737250760 598697926 /nfs/dbraw/zinc/69/79/26/598697926.db2.gz ONXFYBHKANIWMQ-UHFFFAOYSA-N -1 3 371.441 3.495 20 0 FGADHM Cc1cc(C)cc(NC(=O)CSCc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000737250760 598697928 /nfs/dbraw/zinc/69/79/28/598697928.db2.gz ONXFYBHKANIWMQ-UHFFFAOYSA-N -1 3 371.441 3.495 20 0 FGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)Nc1cccc2cnccc21 ZINC000737946886 598699429 /nfs/dbraw/zinc/69/94/29/598699429.db2.gz IILFZDTWTMPKAZ-UHFFFAOYSA-N -1 3 362.418 3.146 20 0 FGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)Nc1cccc2cnccc21 ZINC000737946886 598699431 /nfs/dbraw/zinc/69/94/31/598699431.db2.gz IILFZDTWTMPKAZ-UHFFFAOYSA-N -1 3 362.418 3.146 20 0 FGADHM c1cc(-c2ccn(CCCOc3ccc(-c4nn[n-]n4)cc3)n2)cs1 ZINC000738407089 598701127 /nfs/dbraw/zinc/70/11/27/598701127.db2.gz WSMOIJNKDUNUPO-UHFFFAOYSA-N -1 3 352.423 3.261 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)c1ccc(C(F)(F)F)cc1 ZINC000738236332 598704198 /nfs/dbraw/zinc/70/41/98/598704198.db2.gz UOHGWRBBDSNOCK-UHFFFAOYSA-N -1 3 366.274 3.382 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)c1ccc(C(F)(F)F)cc1 ZINC000738236332 598704199 /nfs/dbraw/zinc/70/41/99/598704199.db2.gz UOHGWRBBDSNOCK-UHFFFAOYSA-N -1 3 366.274 3.382 20 0 FGADHM CCC(=O)[C@H](C)OC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736302402 598712015 /nfs/dbraw/zinc/71/20/15/598712015.db2.gz DYFYSKRBKOBAFW-LBPRGKRZSA-N -1 3 366.377 3.183 20 0 FGADHM CCC(=O)[C@H](C)OC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736302402 598712016 /nfs/dbraw/zinc/71/20/16/598712016.db2.gz DYFYSKRBKOBAFW-LBPRGKRZSA-N -1 3 366.377 3.183 20 0 FGADHM C[C@H](CSc1ccccc1)C(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000736046998 598724802 /nfs/dbraw/zinc/72/48/02/598724802.db2.gz OFLILJQLJLLUJB-GFCCVEGCSA-N -1 3 372.425 3.477 20 0 FGADHM C[C@H](CSc1ccccc1)C(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000736046998 598724803 /nfs/dbraw/zinc/72/48/03/598724803.db2.gz OFLILJQLJLLUJB-GFCCVEGCSA-N -1 3 372.425 3.477 20 0 FGADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)OCc1cccc(F)c1 ZINC000737840658 598725308 /nfs/dbraw/zinc/72/53/08/598725308.db2.gz BRLSIUJODIUIIR-UHFFFAOYSA-N -1 3 370.384 3.298 20 0 FGADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)OCc1cccc(F)c1 ZINC000737840658 598725309 /nfs/dbraw/zinc/72/53/09/598725309.db2.gz BRLSIUJODIUIIR-UHFFFAOYSA-N -1 3 370.384 3.298 20 0 FGADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)OCCc1ccccc1 ZINC000737840963 598726383 /nfs/dbraw/zinc/72/63/83/598726383.db2.gz GODYZZBEZPDQRP-UHFFFAOYSA-N -1 3 366.421 3.202 20 0 FGADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)OCCc1ccccc1 ZINC000737840963 598726385 /nfs/dbraw/zinc/72/63/85/598726385.db2.gz GODYZZBEZPDQRP-UHFFFAOYSA-N -1 3 366.421 3.202 20 0 FGADHM CC[C@H](Sc1ccccc1)C(=O)OCc1ccccc1-c1nnn[n-]1 ZINC000736393399 598735388 /nfs/dbraw/zinc/73/53/88/598735388.db2.gz YAYGQQPOHRFKBY-INIZCTEOSA-N -1 3 354.435 3.481 20 0 FGADHM CC[C@H](Sc1ccccc1)C(=O)OCc1ccccc1-c1nn[n-]n1 ZINC000736393399 598735389 /nfs/dbraw/zinc/73/53/89/598735389.db2.gz YAYGQQPOHRFKBY-INIZCTEOSA-N -1 3 354.435 3.481 20 0 FGADHM CC[C@H](Sc1ccccc1)C(=O)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000736393375 598739899 /nfs/dbraw/zinc/73/98/99/598739899.db2.gz XRWBFTVRJZYQCG-INIZCTEOSA-N -1 3 354.435 3.481 20 0 FGADHM CC[C@H](Sc1ccccc1)C(=O)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000736393375 598739901 /nfs/dbraw/zinc/73/99/01/598739901.db2.gz XRWBFTVRJZYQCG-INIZCTEOSA-N -1 3 354.435 3.481 20 0 FGADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)[C@H](C)Cc1ccccc1 ZINC000737024333 598741665 /nfs/dbraw/zinc/74/16/65/598741665.db2.gz GILAMABFPTWLPR-LLVKDONJSA-N -1 3 372.812 3.313 20 0 FGADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)[C@H](C)Cc1ccccc1 ZINC000737024333 598741666 /nfs/dbraw/zinc/74/16/66/598741666.db2.gz GILAMABFPTWLPR-LLVKDONJSA-N -1 3 372.812 3.313 20 0 FGADHM C[C@@H](NC(=O)C[C@@H]1CCc2ccccc2C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736102103 598741755 /nfs/dbraw/zinc/74/17/55/598741755.db2.gz QVWZECMEDWLTEH-HUUCEWRRSA-N -1 3 361.449 3.239 20 0 FGADHM C[C@@H](NC(=O)C[C@@H]1CCc2ccccc2C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736102103 598741756 /nfs/dbraw/zinc/74/17/56/598741756.db2.gz QVWZECMEDWLTEH-HUUCEWRRSA-N -1 3 361.449 3.239 20 0 FGADHM Cc1cc(Oc2ccc(-c3nnn[n-]3)cc2Cl)nc(-c2ccncc2)n1 ZINC000737279028 598743465 /nfs/dbraw/zinc/74/34/65/598743465.db2.gz GXWIGKTVVBTPQM-UHFFFAOYSA-N -1 3 365.784 3.473 20 0 FGADHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2Cl)nc(-c2ccncc2)n1 ZINC000737279028 598743467 /nfs/dbraw/zinc/74/34/67/598743467.db2.gz GXWIGKTVVBTPQM-UHFFFAOYSA-N -1 3 365.784 3.473 20 0 FGADHM CC(C)CC(CC(C)C)NC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000735762104 598748419 /nfs/dbraw/zinc/74/84/19/598748419.db2.gz VCMHUOISMBMERQ-AWEZNQCLSA-N -1 3 359.474 3.211 20 0 FGADHM CC(C)CC(CC(C)C)NC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000735762104 598748421 /nfs/dbraw/zinc/74/84/21/598748421.db2.gz VCMHUOISMBMERQ-AWEZNQCLSA-N -1 3 359.474 3.211 20 0 FGADHM Cc1ncc(C=CC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)s1 ZINC000737491094 598763474 /nfs/dbraw/zinc/76/34/74/598763474.db2.gz ZZZMXPJQZOXMKY-VOTSOKGWSA-N -1 3 372.479 3.224 20 0 FGADHM Cc1ncc(C=CC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)s1 ZINC000737491094 598763476 /nfs/dbraw/zinc/76/34/76/598763476.db2.gz ZZZMXPJQZOXMKY-VOTSOKGWSA-N -1 3 372.479 3.224 20 0 FGADHM Fc1cc(F)c2ncc(-c3nnn[n-]3)c(NCCCOC3CCCC3)c2c1 ZINC000737650205 598772199 /nfs/dbraw/zinc/77/21/99/598772199.db2.gz GQPIRZQIOFRFIX-UHFFFAOYSA-N -1 3 374.395 3.454 20 0 FGADHM Fc1cc(F)c2ncc(-c3nn[n-]n3)c(NCCCOC3CCCC3)c2c1 ZINC000737650205 598772202 /nfs/dbraw/zinc/77/22/02/598772202.db2.gz GQPIRZQIOFRFIX-UHFFFAOYSA-N -1 3 374.395 3.454 20 0 FGADHM CC(C)OC1CCN(c2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)CC1 ZINC000735894703 598772495 /nfs/dbraw/zinc/77/24/95/598772495.db2.gz KNVBMHADLONYRA-UHFFFAOYSA-N -1 3 374.395 3.087 20 0 FGADHM CC(C)OC1CCN(c2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)CC1 ZINC000735894703 598772496 /nfs/dbraw/zinc/77/24/96/598772496.db2.gz KNVBMHADLONYRA-UHFFFAOYSA-N -1 3 374.395 3.087 20 0 FGADHM O[C@H](CNc1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21)C1CCCCC1 ZINC000738382597 598772593 /nfs/dbraw/zinc/77/25/93/598772593.db2.gz LVOZIWYMMGUIRW-OAHLLOKOSA-N -1 3 374.395 3.046 20 0 FGADHM O[C@H](CNc1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21)C1CCCCC1 ZINC000738382597 598772595 /nfs/dbraw/zinc/77/25/95/598772595.db2.gz LVOZIWYMMGUIRW-OAHLLOKOSA-N -1 3 374.395 3.046 20 0 FGADHM Clc1ccc(NCc2ccc(OCC3CC3)nc2)c(-c2nnn[n-]2)c1 ZINC000737573378 598794693 /nfs/dbraw/zinc/79/46/93/598794693.db2.gz GRHZFCJUIZVBEB-UHFFFAOYSA-N -1 3 356.817 3.316 20 0 FGADHM Clc1ccc(NCc2ccc(OCC3CC3)nc2)c(-c2nn[n-]n2)c1 ZINC000737573378 598794694 /nfs/dbraw/zinc/79/46/94/598794694.db2.gz GRHZFCJUIZVBEB-UHFFFAOYSA-N -1 3 356.817 3.316 20 0 FGADHM COc1cccc(N2CC[C@H](Nc3ccc(Cl)cc3-c3nnn[n-]3)C2)c1 ZINC000737138952 598796074 /nfs/dbraw/zinc/79/60/74/598796074.db2.gz ISDJILAGXOPUQG-ZDUSSCGKSA-N -1 3 370.844 3.220 20 0 FGADHM COc1cccc(N2CC[C@H](Nc3ccc(Cl)cc3-c3nn[n-]n3)C2)c1 ZINC000737138952 598796076 /nfs/dbraw/zinc/79/60/76/598796076.db2.gz ISDJILAGXOPUQG-ZDUSSCGKSA-N -1 3 370.844 3.220 20 0 FGADHM COc1ccccc1CC(C)(C)C(=O)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000737152236 598800848 /nfs/dbraw/zinc/80/08/48/598800848.db2.gz JBWYSVCWPUOYOS-UHFFFAOYSA-N -1 3 366.421 3.187 20 0 FGADHM COc1ccccc1CC(C)(C)C(=O)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000737152236 598800849 /nfs/dbraw/zinc/80/08/49/598800849.db2.gz JBWYSVCWPUOYOS-UHFFFAOYSA-N -1 3 366.421 3.187 20 0 FGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)CO[C@@H]1CCCC[C@@H]1C ZINC000735904788 598803819 /nfs/dbraw/zinc/80/38/19/598803819.db2.gz BIPUOLCLPNFWHW-XJKSGUPXSA-N -1 3 373.457 3.188 20 0 FGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)CO[C@@H]1CCCC[C@@H]1C ZINC000735904788 598803821 /nfs/dbraw/zinc/80/38/21/598803821.db2.gz BIPUOLCLPNFWHW-XJKSGUPXSA-N -1 3 373.457 3.188 20 0 FGADHM CCC[C@H](C)C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(F)(F)F ZINC000736421094 598804433 /nfs/dbraw/zinc/80/44/33/598804433.db2.gz YDTZQYKTBNHBGZ-NSHDSACASA-N -1 3 355.364 3.194 20 0 FGADHM CCC[C@H](C)C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(F)(F)F ZINC000736421094 598804434 /nfs/dbraw/zinc/80/44/34/598804434.db2.gz YDTZQYKTBNHBGZ-NSHDSACASA-N -1 3 355.364 3.194 20 0 FGADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@H]1CC[C@@H](C)C[C@H]1C ZINC000736242092 598808247 /nfs/dbraw/zinc/80/82/47/598808247.db2.gz PPDOYNUYVFCPJW-DEICHXMPSA-N -1 3 371.485 3.211 20 0 FGADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@H]1CC[C@@H](C)C[C@H]1C ZINC000736242092 598808248 /nfs/dbraw/zinc/80/82/48/598808248.db2.gz PPDOYNUYVFCPJW-DEICHXMPSA-N -1 3 371.485 3.211 20 0 FGADHM C[C@H]1CCCC[C@@H]1CC(=O)Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000736263618 598808756 /nfs/dbraw/zinc/80/87/56/598808756.db2.gz RNNJDYFJXITWQB-DZGCQCFKSA-N -1 3 365.441 3.207 20 0 FGADHM CCOc1cc(C(=O)Oc2ccc(-c3nnn[n-]3)cc2OCC)ccc1C ZINC000736626938 598821530 /nfs/dbraw/zinc/82/15/30/598821530.db2.gz UUIOBKUXZKUVQW-UHFFFAOYSA-N -1 3 368.393 3.192 20 0 FGADHM CCOc1cc(C(=O)Oc2ccc(-c3nn[n-]n3)cc2OCC)ccc1C ZINC000736626938 598821531 /nfs/dbraw/zinc/82/15/31/598821531.db2.gz UUIOBKUXZKUVQW-UHFFFAOYSA-N -1 3 368.393 3.192 20 0 FGADHM Cc1ccc(C(C)C)c(OCC(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737317494 599306611 /nfs/dbraw/zinc/30/66/11/599306611.db2.gz LRCHHPXGORYBQL-UHFFFAOYSA-N -1 3 365.437 3.340 20 0 FGADHM Cc1ccc(C(C)C)c(OCC(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737317494 599306613 /nfs/dbraw/zinc/30/66/13/599306613.db2.gz LRCHHPXGORYBQL-UHFFFAOYSA-N -1 3 365.437 3.340 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NCc1ccccc1OC(F)F ZINC000736635478 599327328 /nfs/dbraw/zinc/32/73/28/599327328.db2.gz UUNBRWWUOFCPBB-UHFFFAOYSA-N -1 3 361.352 3.479 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NCc1ccccc1OC(F)F ZINC000736635478 599327329 /nfs/dbraw/zinc/32/73/29/599327329.db2.gz UUNBRWWUOFCPBB-UHFFFAOYSA-N -1 3 361.352 3.479 20 0 FGADHM C[C@@H](SCC(=O)NCc1ccccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000736187782 599328067 /nfs/dbraw/zinc/32/80/67/599328067.db2.gz BVLGSODKOGUDMY-GFCCVEGCSA-N -1 3 371.441 3.116 20 0 FGADHM C[C@@H](SCC(=O)NCc1ccccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000736187782 599328070 /nfs/dbraw/zinc/32/80/70/599328070.db2.gz BVLGSODKOGUDMY-GFCCVEGCSA-N -1 3 371.441 3.116 20 0 FGADHM C[C@@H](SCC(=O)Nc1ccc(F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736190530 599330704 /nfs/dbraw/zinc/33/07/04/599330704.db2.gz TWNKTSAATDMYFZ-LLVKDONJSA-N -1 3 357.414 3.439 20 0 FGADHM C[C@@H](SCC(=O)Nc1ccc(F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736190530 599330707 /nfs/dbraw/zinc/33/07/07/599330707.db2.gz TWNKTSAATDMYFZ-LLVKDONJSA-N -1 3 357.414 3.439 20 0 FGADHM C[C@@H](OC(=O)[C@H]1CSc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000736151778 599339943 /nfs/dbraw/zinc/33/99/43/599339943.db2.gz MLDDAENWDZQQBH-ABAIWWIYSA-N -1 3 352.419 3.360 20 0 FGADHM C[C@@H](OC(=O)[C@H]1CSc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000736151778 599339945 /nfs/dbraw/zinc/33/99/45/599339945.db2.gz MLDDAENWDZQQBH-ABAIWWIYSA-N -1 3 352.419 3.360 20 0 FGADHM C[C@H](Sc1ccccc1-c1nnn[n-]1)C(=O)Nc1cccnc1Cl ZINC000820555623 599346882 /nfs/dbraw/zinc/34/68/82/599346882.db2.gz OEKQUNQWYWSZOR-VIFPVBQESA-N -1 3 360.830 3.034 20 0 FGADHM C[C@H](Sc1ccccc1-c1nn[n-]n1)C(=O)Nc1cccnc1Cl ZINC000820555623 599346884 /nfs/dbraw/zinc/34/68/84/599346884.db2.gz OEKQUNQWYWSZOR-VIFPVBQESA-N -1 3 360.830 3.034 20 0 FGADHM C[C@@H](Sc1ccccc1-c1nnn[n-]1)C(=O)Nc1c(F)cccc1F ZINC000820555327 599349986 /nfs/dbraw/zinc/34/99/86/599349986.db2.gz JIGSNWGVCYBTOG-SECBINFHSA-N -1 3 361.377 3.264 20 0 FGADHM C[C@@H](Sc1ccccc1-c1nn[n-]n1)C(=O)Nc1c(F)cccc1F ZINC000820555327 599349987 /nfs/dbraw/zinc/34/99/87/599349987.db2.gz JIGSNWGVCYBTOG-SECBINFHSA-N -1 3 361.377 3.264 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1CNc1cccc(-c2ccnc(C)n2)c1 ZINC000821736460 607371340 /nfs/dbraw/zinc/37/13/40/607371340.db2.gz KKNXUSXHNZKJDD-UHFFFAOYSA-N -1 3 373.420 3.253 20 0 FGADHM CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736963294 599378508 /nfs/dbraw/zinc/37/85/08/599378508.db2.gz RTMCIQUWYCYRAJ-BDJLRTHQSA-N -1 3 371.828 3.026 20 0 FGADHM CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736963294 599378510 /nfs/dbraw/zinc/37/85/10/599378510.db2.gz RTMCIQUWYCYRAJ-BDJLRTHQSA-N -1 3 371.828 3.026 20 0 FGADHM Cc1cc(C)c(C)c(OCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)c1 ZINC000822193961 599382580 /nfs/dbraw/zinc/38/25/80/599382580.db2.gz BMNKJLWZUKOVKO-UHFFFAOYSA-N -1 3 362.393 3.421 20 0 FGADHM Cc1cc(C)c(C)c(OCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)c1 ZINC000822193961 599382583 /nfs/dbraw/zinc/38/25/83/599382583.db2.gz BMNKJLWZUKOVKO-UHFFFAOYSA-N -1 3 362.393 3.421 20 0 FGADHM COc1ccc(OCCOc2ccc(-c3nn[n-]n3)cc2)c2ccccc12 ZINC000821846532 599388793 /nfs/dbraw/zinc/38/87/93/599388793.db2.gz TYNTUPPEJDDFGL-UHFFFAOYSA-N -1 3 362.389 3.486 20 0 FGADHM CC(C)Oc1ccc(NCc2nc3ccccc3o2)cc1-c1nnn[n-]1 ZINC000820173890 607374096 /nfs/dbraw/zinc/37/40/96/607374096.db2.gz MNIWRSGGWUMLHN-UHFFFAOYSA-N -1 3 350.382 3.407 20 0 FGADHM CC(C)Oc1ccc(NCc2nc3ccccc3o2)cc1-c1nn[n-]n1 ZINC000820173890 607374098 /nfs/dbraw/zinc/37/40/98/607374098.db2.gz MNIWRSGGWUMLHN-UHFFFAOYSA-N -1 3 350.382 3.407 20 0 FGADHM O[C@H](CNc1cc(-c2nnn[n-]2)c2ccccc2n1)c1cccc(Cl)c1 ZINC000738382036 599408901 /nfs/dbraw/zinc/40/89/01/599408901.db2.gz JOQZPQLSYRTCBJ-MRXNPFEDSA-N -1 3 366.812 3.214 20 0 FGADHM O[C@H](CNc1cc(-c2nn[n-]n2)c2ccccc2n1)c1cccc(Cl)c1 ZINC000738382036 599408906 /nfs/dbraw/zinc/40/89/06/599408906.db2.gz JOQZPQLSYRTCBJ-MRXNPFEDSA-N -1 3 366.812 3.214 20 0 FGADHM CCCn1ccc2ccc(NC(=O)Cc3ccc(-c4nnn[n-]4)cc3)cc21 ZINC000821147850 599411677 /nfs/dbraw/zinc/41/16/77/599411677.db2.gz KFFFGXOPZBKGKD-UHFFFAOYSA-N -1 3 360.421 3.413 20 0 FGADHM CCCn1ccc2ccc(NC(=O)Cc3ccc(-c4nn[n-]n4)cc3)cc21 ZINC000821147850 599411682 /nfs/dbraw/zinc/41/16/82/599411682.db2.gz KFFFGXOPZBKGKD-UHFFFAOYSA-N -1 3 360.421 3.413 20 0 FGADHM C[C@H](NC(=O)N1CC[C@H]1c1cccc(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820339225 599419808 /nfs/dbraw/zinc/41/98/08/599419808.db2.gz ACKIVQLECSZZJZ-SJCJKPOMSA-N -1 3 366.400 3.223 20 0 FGADHM C[C@H](NC(=O)N1CC[C@H]1c1cccc(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820339225 599419810 /nfs/dbraw/zinc/41/98/10/599419810.db2.gz ACKIVQLECSZZJZ-SJCJKPOMSA-N -1 3 366.400 3.223 20 0 FGADHM CCn1cc(C2CCN(c3cc(Cl)ccc3-c3nnn[n-]3)CC2)cn1 ZINC000736721410 599421839 /nfs/dbraw/zinc/42/18/39/599421839.db2.gz GNWFBLQHADJZBU-UHFFFAOYSA-N -1 3 357.849 3.121 20 0 FGADHM CCn1cc(C2CCN(c3cc(Cl)ccc3-c3nn[n-]n3)CC2)cn1 ZINC000736721410 599421840 /nfs/dbraw/zinc/42/18/40/599421840.db2.gz GNWFBLQHADJZBU-UHFFFAOYSA-N -1 3 357.849 3.121 20 0 FGADHM Cc1ccc(CCNC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c(C)c1 ZINC000822236219 599426122 /nfs/dbraw/zinc/42/61/22/599426122.db2.gz OTWYWAWIRFNOEW-OAHLLOKOSA-N -1 3 364.453 3.086 20 0 FGADHM Cc1ccc(CCNC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c(C)c1 ZINC000822236219 599426126 /nfs/dbraw/zinc/42/61/26/599426126.db2.gz OTWYWAWIRFNOEW-OAHLLOKOSA-N -1 3 364.453 3.086 20 0 FGADHM O=C(CC1CCCCC1)NCCNc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000737818176 599426198 /nfs/dbraw/zinc/42/61/98/599426198.db2.gz CIUBILWBEAPPQP-UHFFFAOYSA-N -1 3 362.865 3.019 20 0 FGADHM O=C(CC1CCCCC1)NCCNc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000737818176 599426201 /nfs/dbraw/zinc/42/62/01/599426201.db2.gz CIUBILWBEAPPQP-UHFFFAOYSA-N -1 3 362.865 3.019 20 0 FGADHM COc1cccc(N2CC[C@H](Nc3cc(Cl)ccc3-c3nnn[n-]3)C2)c1 ZINC000737138960 599426966 /nfs/dbraw/zinc/42/69/66/599426966.db2.gz IUZMJASEVLAKNI-ZDUSSCGKSA-N -1 3 370.844 3.220 20 0 FGADHM COc1cccc(N2CC[C@H](Nc3cc(Cl)ccc3-c3nn[n-]n3)C2)c1 ZINC000737138960 599426968 /nfs/dbraw/zinc/42/69/68/599426968.db2.gz IUZMJASEVLAKNI-ZDUSSCGKSA-N -1 3 370.844 3.220 20 0 FGADHM CCCC[C@H]1CCC[C@H]1NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000821042730 599434377 /nfs/dbraw/zinc/43/43/77/599434377.db2.gz GXWDBAHKOSFIDW-BLLLJJGKSA-N -1 3 360.437 3.164 20 0 FGADHM CCCC[C@H]1CCC[C@H]1NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000821042730 599434379 /nfs/dbraw/zinc/43/43/79/599434379.db2.gz GXWDBAHKOSFIDW-BLLLJJGKSA-N -1 3 360.437 3.164 20 0 FGADHM COc1ccc(CN[C@H](C)c2nc3c(s2)CCCC3)cc1-c1nnn[n-]1 ZINC000821803045 599442724 /nfs/dbraw/zinc/44/27/24/599442724.db2.gz AVXIFBCWEVXZQR-LLVKDONJSA-N -1 3 370.482 3.061 20 0 FGADHM C[C@H](NC(=O)N[C@@H]1C[C@H]1C1CCCCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820356875 599447021 /nfs/dbraw/zinc/44/70/21/599447021.db2.gz BRFQFNPKTACPII-AFAVFJNCSA-N -1 3 354.458 3.196 20 0 FGADHM C[C@H](NC(=O)N[C@@H]1C[C@H]1C1CCCCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820356875 599447023 /nfs/dbraw/zinc/44/70/23/599447023.db2.gz BRFQFNPKTACPII-AFAVFJNCSA-N -1 3 354.458 3.196 20 0 FGADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)N1CCC[C@H]1c1ccsc1 ZINC000823232958 599464505 /nfs/dbraw/zinc/46/45/05/599464505.db2.gz BNJNSKBKZAXKLF-HNNXBMFYSA-N -1 3 372.429 3.114 20 0 FGADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)N1CCC[C@H]1c1ccsc1 ZINC000823232958 599464506 /nfs/dbraw/zinc/46/45/06/599464506.db2.gz BNJNSKBKZAXKLF-HNNXBMFYSA-N -1 3 372.429 3.114 20 0 FGADHM C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736234819 599468799 /nfs/dbraw/zinc/46/87/99/599468799.db2.gz KUHYWEZKUCPPDO-MLGOLLRUSA-N -1 3 351.385 3.024 20 0 FGADHM C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736234819 599468801 /nfs/dbraw/zinc/46/88/01/599468801.db2.gz KUHYWEZKUCPPDO-MLGOLLRUSA-N -1 3 351.385 3.024 20 0 FGADHM C[C@H](c1ccccc1F)N(C)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820342586 599472951 /nfs/dbraw/zinc/47/29/51/599472951.db2.gz VXISNMOUJGRKDV-QWHCGFSZSA-N -1 3 368.416 3.469 20 0 FGADHM C[C@H](c1ccccc1F)N(C)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820342586 599472953 /nfs/dbraw/zinc/47/29/53/599472953.db2.gz VXISNMOUJGRKDV-QWHCGFSZSA-N -1 3 368.416 3.469 20 0 FGADHM C[C@H]1C[C@H](c2ccc(F)cc2)CN1c1ncc(-c2nnn[n-]2)cc1Cl ZINC000736234836 599474195 /nfs/dbraw/zinc/47/41/95/599474195.db2.gz KXTRFQQBAMZIKM-GWCFXTLKSA-N -1 3 358.808 3.437 20 0 FGADHM C[C@H]1C[C@H](c2ccc(F)cc2)CN1c1ncc(-c2nn[n-]n2)cc1Cl ZINC000736234836 599474199 /nfs/dbraw/zinc/47/41/99/599474199.db2.gz KXTRFQQBAMZIKM-GWCFXTLKSA-N -1 3 358.808 3.437 20 0 FGADHM CC(C)[C@@H]1CCC[C@H](NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000820359358 599474250 /nfs/dbraw/zinc/47/42/50/599474250.db2.gz SICWNKXJJAQSKU-VBQJREDUSA-N -1 3 356.474 3.442 20 0 FGADHM CC(C)[C@@H]1CCC[C@H](NC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000820359358 599474253 /nfs/dbraw/zinc/47/42/53/599474253.db2.gz SICWNKXJJAQSKU-VBQJREDUSA-N -1 3 356.474 3.442 20 0 FGADHM CCO[C@H](C)c1nc(CN(C)Cc2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000736616668 599474910 /nfs/dbraw/zinc/47/49/10/599474910.db2.gz OVJDSLVLRCIQJN-GFCCVEGCSA-N -1 3 358.471 3.053 20 0 FGADHM CCO[C@H](C)c1nc(CN(C)Cc2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000736616668 599474912 /nfs/dbraw/zinc/47/49/12/599474912.db2.gz OVJDSLVLRCIQJN-GFCCVEGCSA-N -1 3 358.471 3.053 20 0 FGADHM CCN(CC)c1ccc(CNc2cc(-c3nnn[n-]3)nc3ccccc32)cn1 ZINC000821196588 599480150 /nfs/dbraw/zinc/48/01/50/599480150.db2.gz BGWDTLCIYIAMNM-UHFFFAOYSA-N -1 3 374.452 3.268 20 0 FGADHM C[C@@H](NC(=O)N(C)[C@@H](C)c1cccs1)c1cccc(-c2nnn[n-]2)c1 ZINC000820339454 599482625 /nfs/dbraw/zinc/48/26/25/599482625.db2.gz CJMYLVCANFSHNQ-NEPJUHHUSA-N -1 3 356.455 3.392 20 0 FGADHM C[C@@H](NC(=O)N(C)[C@@H](C)c1cccs1)c1cccc(-c2nn[n-]n2)c1 ZINC000820339454 599482628 /nfs/dbraw/zinc/48/26/28/599482628.db2.gz CJMYLVCANFSHNQ-NEPJUHHUSA-N -1 3 356.455 3.392 20 0 FGADHM C[C@@H](NC(=O)N1CC[C@@H]1c1cccc(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820342053 599483271 /nfs/dbraw/zinc/48/32/71/599483271.db2.gz SOBMLECFFVZHBG-SJKOYZFVSA-N -1 3 366.400 3.223 20 0 FGADHM C[C@@H](NC(=O)N1CC[C@@H]1c1cccc(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820342053 599483273 /nfs/dbraw/zinc/48/32/73/599483273.db2.gz SOBMLECFFVZHBG-SJKOYZFVSA-N -1 3 366.400 3.223 20 0 FGADHM C[C@@H](NC(=O)N1CCC[C@@]2(CC=CCC2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820348475 599483524 /nfs/dbraw/zinc/48/35/24/599483524.db2.gz CYHBOPNTPAGLKW-QRWLVFNGSA-N -1 3 366.469 3.460 20 0 FGADHM C[C@@H](NC(=O)N1CCC[C@@]2(CC=CCC2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820348475 599483527 /nfs/dbraw/zinc/48/35/27/599483527.db2.gz CYHBOPNTPAGLKW-QRWLVFNGSA-N -1 3 366.469 3.460 20 0 FGADHM CC(C)(C(=O)OCc1ccc(F)cc1-c1nnn[n-]1)c1cccc(F)c1 ZINC000735582653 599499348 /nfs/dbraw/zinc/49/93/48/599499348.db2.gz MSSYCBLVWREQBO-UHFFFAOYSA-N -1 3 358.348 3.166 20 0 FGADHM CC(C)(C(=O)OCc1ccc(F)cc1-c1nn[n-]n1)c1cccc(F)c1 ZINC000735582653 599499350 /nfs/dbraw/zinc/49/93/50/599499350.db2.gz MSSYCBLVWREQBO-UHFFFAOYSA-N -1 3 358.348 3.166 20 0 FGADHM Fc1ccc(NCc2sccc2Br)c(-c2nnn[n-]2)c1 ZINC000822782685 599507215 /nfs/dbraw/zinc/50/72/15/599507215.db2.gz AVVMFWHPYCUCPO-UHFFFAOYSA-N -1 3 354.208 3.442 20 0 FGADHM Fc1ccc(NCc2sccc2Br)c(-c2nn[n-]n2)c1 ZINC000822782685 599507218 /nfs/dbraw/zinc/50/72/18/599507218.db2.gz AVVMFWHPYCUCPO-UHFFFAOYSA-N -1 3 354.208 3.442 20 0 FGADHM C[C@@H](NC(=O)CCSc1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820328289 599511260 /nfs/dbraw/zinc/51/12/60/599511260.db2.gz OSHFEJZZISRTKO-CYBMUJFWSA-N -1 3 353.451 3.226 20 0 FGADHM C[C@@H](NC(=O)CCSc1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820328289 599511262 /nfs/dbraw/zinc/51/12/62/599511262.db2.gz OSHFEJZZISRTKO-CYBMUJFWSA-N -1 3 353.451 3.226 20 0 FGADHM C[C@H](NC(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820321192 599516027 /nfs/dbraw/zinc/51/60/27/599516027.db2.gz CHWMHMDPNDILKZ-ZLKJLUDKSA-N -1 3 367.375 3.413 20 0 FGADHM C[C@H](NC(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820321192 599516029 /nfs/dbraw/zinc/51/60/29/599516029.db2.gz CHWMHMDPNDILKZ-ZLKJLUDKSA-N -1 3 367.375 3.413 20 0 FGADHM C[C@H](SC[C@@H](O)COc1ccc(-c2nn[n-]n2)cc1)c1cccs1 ZINC000736188530 599521684 /nfs/dbraw/zinc/52/16/84/599521684.db2.gz KVKLOJSGCWNKMX-AAEUAGOBSA-N -1 3 362.480 3.162 20 0 FGADHM COc1cccc(OCCCNc2cc(Cl)ccc2-c2nnn[n-]2)c1 ZINC000737142103 599528256 /nfs/dbraw/zinc/52/82/56/599528256.db2.gz RTZHMSIEFOEJSS-UHFFFAOYSA-N -1 3 359.817 3.410 20 0 FGADHM COc1cccc(OCCCNc2cc(Cl)ccc2-c2nn[n-]n2)c1 ZINC000737142103 599528257 /nfs/dbraw/zinc/52/82/57/599528257.db2.gz RTZHMSIEFOEJSS-UHFFFAOYSA-N -1 3 359.817 3.410 20 0 FGADHM CCc1nccn1[C@@H]1CCCN(c2cc(-c3nnn[n-]3)nc3ccccc32)C1 ZINC000821516952 599538149 /nfs/dbraw/zinc/53/81/49/599538149.db2.gz FKAJBZVWJLYVTR-CQSZACIVSA-N -1 3 374.452 3.015 20 0 FGADHM CCc1nccn1[C@@H]1CCCN(c2cc(-c3nn[n-]n3)nc3ccccc32)C1 ZINC000821516952 599538151 /nfs/dbraw/zinc/53/81/51/599538151.db2.gz FKAJBZVWJLYVTR-CQSZACIVSA-N -1 3 374.452 3.015 20 0 FGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N1CCC2(CCCC2)C1 ZINC000819975772 599553812 /nfs/dbraw/zinc/55/38/12/599553812.db2.gz BZDPGGSKEBZORY-UHFFFAOYSA-N -1 3 357.462 3.221 20 0 FGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N1CCC2(CCCC2)C1 ZINC000819975772 599553815 /nfs/dbraw/zinc/55/38/15/599553815.db2.gz BZDPGGSKEBZORY-UHFFFAOYSA-N -1 3 357.462 3.221 20 0 FGADHM COCc1nc(CN(Cc2ccc(-c3nn[n-]n3)cc2)CC(C)C)cs1 ZINC000821695964 599570746 /nfs/dbraw/zinc/57/07/46/599570746.db2.gz PLKAIVMDNQWBMY-UHFFFAOYSA-N -1 3 372.498 3.128 20 0 FGADHM COC[C@H](Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)c1ccccc1 ZINC000821683740 599578720 /nfs/dbraw/zinc/57/87/20/599578720.db2.gz JIZCXRDEBVTHCM-LBPRGKRZSA-N -1 3 364.331 3.080 20 0 FGADHM COC[C@H](Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)c1ccccc1 ZINC000821683740 599578722 /nfs/dbraw/zinc/57/87/22/599578722.db2.gz JIZCXRDEBVTHCM-LBPRGKRZSA-N -1 3 364.331 3.080 20 0 FGADHM c1ccc(C[C@H]2CCN(c3cc(-c4nnn[n-]4)c4ccccc4n3)C2)cc1 ZINC000823779931 599580432 /nfs/dbraw/zinc/58/04/32/599580432.db2.gz LOFSJTLFEWMJGS-MRXNPFEDSA-N -1 3 356.433 3.484 20 0 FGADHM c1ccc(C[C@H]2CCN(c3cc(-c4nn[n-]n4)c4ccccc4n3)C2)cc1 ZINC000823779931 599580434 /nfs/dbraw/zinc/58/04/34/599580434.db2.gz LOFSJTLFEWMJGS-MRXNPFEDSA-N -1 3 356.433 3.484 20 0 FGADHM COc1ccccc1[C@]1(C)C[C@@H]1Nc1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821883558 599583076 /nfs/dbraw/zinc/58/30/76/599583076.db2.gz XOFFEESLJOPPBL-YJBOKZPZSA-N -1 3 357.364 3.296 20 0 FGADHM COc1ccccc1[C@]1(C)C[C@@H]1Nc1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821883558 599583078 /nfs/dbraw/zinc/58/30/78/599583078.db2.gz XOFFEESLJOPPBL-YJBOKZPZSA-N -1 3 357.364 3.296 20 0 FGADHM CC[C@H](NC(=O)NCc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1F ZINC000736366307 599600898 /nfs/dbraw/zinc/60/08/98/599600898.db2.gz ZGEKDPGSORFKNU-INIZCTEOSA-N -1 3 372.379 3.095 20 0 FGADHM CC[C@H](NC(=O)NCc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1F ZINC000736366307 599600900 /nfs/dbraw/zinc/60/09/00/599600900.db2.gz ZGEKDPGSORFKNU-INIZCTEOSA-N -1 3 372.379 3.095 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCc2cc(F)ccc2[C@H]1C ZINC000737291774 599610690 /nfs/dbraw/zinc/61/06/90/599610690.db2.gz PLVHCMYNIIHGGY-GFCCVEGCSA-N -1 3 366.400 3.465 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCc2cc(F)ccc2[C@H]1C ZINC000737291774 599610691 /nfs/dbraw/zinc/61/06/91/599610691.db2.gz PLVHCMYNIIHGGY-GFCCVEGCSA-N -1 3 366.400 3.465 20 0 FGADHM CC[C@@H](c1ccncc1)N(C)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736395248 599611633 /nfs/dbraw/zinc/61/16/33/599611633.db2.gz ICOGHGMQLVWBLB-HNNXBMFYSA-N -1 3 355.377 3.016 20 0 FGADHM CC[C@@H](c1ccncc1)N(C)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736395248 599611635 /nfs/dbraw/zinc/61/16/35/599611635.db2.gz ICOGHGMQLVWBLB-HNNXBMFYSA-N -1 3 355.377 3.016 20 0 FGADHM CCO[C@@H]1C[C@H](OC(=O)c2ccc(-c3nnn[n-]3)cc2)C12CCCCC2 ZINC000821369241 599626309 /nfs/dbraw/zinc/62/63/09/599626309.db2.gz YCHMZZWJOIJUBM-CVEARBPZSA-N -1 3 356.426 3.151 20 0 FGADHM CCO[C@@H]1C[C@H](OC(=O)c2ccc(-c3nn[n-]n3)cc2)C12CCCCC2 ZINC000821369241 599626310 /nfs/dbraw/zinc/62/63/10/599626310.db2.gz YCHMZZWJOIJUBM-CVEARBPZSA-N -1 3 356.426 3.151 20 0 FGADHM COc1cccc([C@H](C)OC(=O)C=Cc2ccccc2-c2nnn[n-]2)c1 ZINC000821858074 599627846 /nfs/dbraw/zinc/62/78/46/599627846.db2.gz CTNFDIFYEKJCPC-OEYXZAGESA-N -1 3 350.378 3.193 20 0 FGADHM COc1cccc([C@H](C)OC(=O)C=Cc2ccccc2-c2nn[n-]n2)c1 ZINC000821858074 599627847 /nfs/dbraw/zinc/62/78/47/599627847.db2.gz CTNFDIFYEKJCPC-OEYXZAGESA-N -1 3 350.378 3.193 20 0 FGADHM Cc1ccc([C@@H]2OCCC[C@H]2C(=O)Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822233196 599628283 /nfs/dbraw/zinc/62/82/83/599628283.db2.gz JZUKLFLMSPCHIP-MSOLQXFVSA-N -1 3 364.405 3.248 20 0 FGADHM Cc1ccc([C@@H]2OCCC[C@H]2C(=O)Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822233196 599628284 /nfs/dbraw/zinc/62/82/84/599628284.db2.gz JZUKLFLMSPCHIP-MSOLQXFVSA-N -1 3 364.405 3.248 20 0 FGADHM C[C@@H](CCc1ccccc1F)C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000820254691 599630312 /nfs/dbraw/zinc/63/03/12/599630312.db2.gz UXEHMUJBUDUMAP-LBPRGKRZSA-N -1 3 371.391 3.377 20 0 FGADHM C[C@@H](CCc1ccccc1F)C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000820254691 599630313 /nfs/dbraw/zinc/63/03/13/599630313.db2.gz UXEHMUJBUDUMAP-LBPRGKRZSA-N -1 3 371.391 3.377 20 0 FGADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)[C@@H]2SCCc3ccccc32)s1 ZINC000821465976 599630664 /nfs/dbraw/zinc/63/06/64/599630664.db2.gz SRHADIYYYHMFAN-CQSZACIVSA-N -1 3 371.491 3.460 20 0 FGADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)[C@@H]2SCCc3ccccc32)s1 ZINC000821465976 599630665 /nfs/dbraw/zinc/63/06/65/599630665.db2.gz SRHADIYYYHMFAN-CQSZACIVSA-N -1 3 371.491 3.460 20 0 FGADHM O=C(CC[C@@H]1CCCCO1)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000822950671 599633069 /nfs/dbraw/zinc/63/30/69/599633069.db2.gz XCAKLYYMYCNNGU-NSHDSACASA-N -1 3 369.347 3.173 20 0 FGADHM O=C(CC[C@@H]1CCCCO1)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000822950671 599633070 /nfs/dbraw/zinc/63/30/70/599633070.db2.gz XCAKLYYMYCNNGU-NSHDSACASA-N -1 3 369.347 3.173 20 0 FGADHM CC(C)c1ccc(C(=O)[C@H](C)OC(=O)c2sccc2-c2nnn[n-]2)cc1 ZINC000820518753 599658799 /nfs/dbraw/zinc/65/87/99/599658799.db2.gz KHBPGTCMPKRSGW-NSHDSACASA-N -1 3 370.434 3.480 20 0 FGADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)N[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000823235173 599667749 /nfs/dbraw/zinc/66/77/49/599667749.db2.gz SEVFZYSXIMTKGR-XJKCOSOUSA-N -1 3 372.448 3.164 20 0 FGADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)N[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000823235173 599667750 /nfs/dbraw/zinc/66/77/50/599667750.db2.gz SEVFZYSXIMTKGR-XJKCOSOUSA-N -1 3 372.448 3.164 20 0 FGADHM CCC[C@@H]1[C@@H](C)CCCN1C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000821033615 599673896 /nfs/dbraw/zinc/67/38/96/599673896.db2.gz CNQBZIBJCWYMDG-BLLLJJGKSA-N -1 3 360.437 3.116 20 0 FGADHM CCC[C@@H]1[C@@H](C)CCCN1C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000821033615 599673897 /nfs/dbraw/zinc/67/38/97/599673897.db2.gz CNQBZIBJCWYMDG-BLLLJJGKSA-N -1 3 360.437 3.116 20 0 FGADHM CC[C@H]1C[C@H](C)CN1C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC000820967420 599692672 /nfs/dbraw/zinc/69/26/72/599692672.db2.gz ONKYDVDODVBLAX-JSGCOSHPSA-N -1 3 358.446 3.306 20 0 FGADHM CC[C@H]1C[C@H](C)CN1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC000820967420 599692673 /nfs/dbraw/zinc/69/26/73/599692673.db2.gz ONKYDVDODVBLAX-JSGCOSHPSA-N -1 3 358.446 3.306 20 0 FGADHM CN(C(=O)OC(C)(C)C)[C@@H]1CCCN([C@@H](C(=O)[O-])c2ccc(F)cc2)C1 ZINC000737336239 599720655 /nfs/dbraw/zinc/72/06/55/599720655.db2.gz NVKYCDDJNQTEIT-HZPDHXFCSA-N -1 3 366.433 3.283 20 0 FGADHM Cc1nc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CC[C@@H](C)C3)c(C)s1 ZINC000826323679 607782699 /nfs/dbraw/zinc/78/26/99/607782699.db2.gz NPMBHOUFXQEBGR-SSDOTTSWSA-N -1 3 374.495 3.379 20 0 FGADHM Cc1ccsc1[C@@H]1C[C@H]1C(=O)OCc1ccc(-c2nnn[n-]2)cc1F ZINC000826316793 607392029 /nfs/dbraw/zinc/39/20/29/607392029.db2.gz YUMSRHHNCHCNIU-CHWSQXEVSA-N -1 3 358.398 3.223 20 0 FGADHM Cc1ccsc1[C@@H]1C[C@H]1C(=O)OCc1ccc(-c2nn[n-]n2)cc1F ZINC000826316793 607392031 /nfs/dbraw/zinc/39/20/31/607392031.db2.gz YUMSRHHNCHCNIU-CHWSQXEVSA-N -1 3 358.398 3.223 20 0 FGADHM CC(C)Oc1ccc(NC(=O)Cc2cc(F)ccc2F)cc1-c1nnn[n-]1 ZINC000820165988 607398682 /nfs/dbraw/zinc/39/86/82/607398682.db2.gz UILGQXDHCCXFJG-UHFFFAOYSA-N -1 3 373.363 3.113 20 0 FGADHM CC(C)Oc1ccc(NC(=O)Cc2cc(F)ccc2F)cc1-c1nn[n-]n1 ZINC000820165988 607398683 /nfs/dbraw/zinc/39/86/83/607398683.db2.gz UILGQXDHCCXFJG-UHFFFAOYSA-N -1 3 373.363 3.113 20 0 FGADHM CC(C)Oc1ccc(NC(=O)Cc2ccccc2Cl)cc1-c1nnn[n-]1 ZINC000820166640 607400377 /nfs/dbraw/zinc/40/03/77/607400377.db2.gz YNTZCUDIFUNQDQ-UHFFFAOYSA-N -1 3 371.828 3.489 20 0 FGADHM CC(C)Oc1ccc(NC(=O)Cc2ccccc2Cl)cc1-c1nn[n-]n1 ZINC000820166640 607400378 /nfs/dbraw/zinc/40/03/78/607400378.db2.gz YNTZCUDIFUNQDQ-UHFFFAOYSA-N -1 3 371.828 3.489 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)C1(c2ccccc2F)CC1 ZINC000826253443 607407975 /nfs/dbraw/zinc/40/79/75/607407975.db2.gz QQSXNLKPSKKLKX-UHFFFAOYSA-N -1 3 352.369 3.089 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)C1(c2ccccc2F)CC1 ZINC000826253443 607407977 /nfs/dbraw/zinc/40/79/77/607407977.db2.gz QQSXNLKPSKKLKX-UHFFFAOYSA-N -1 3 352.369 3.089 20 0 FGADHM C[C@H](CN(CC(=O)N[C@H](C)c1cccc2ccccc21)C1CC1)C(=O)[O-] ZINC000736577661 599950943 /nfs/dbraw/zinc/95/09/43/599950943.db2.gz FKDPWHUYGZTVDP-HUUCEWRRSA-N -1 3 354.450 3.202 20 0 FGADHM C[C@@H](C(=O)Nc1cccc(CSCC(=O)[O-])c1)N1[C@H](C)CC[C@H]1C ZINC000736760746 599991503 /nfs/dbraw/zinc/99/15/03/599991503.db2.gz DSEIURSLSLYOIC-MCIONIFRSA-N -1 3 350.484 3.204 20 0 FGADHM Cc1cccc(C[C@H](CNC(=O)Nc2cccc(CN(C)C)c2)C(=O)[O-])c1 ZINC000738709883 600010102 /nfs/dbraw/zinc/01/01/02/600010102.db2.gz XJTBJJMFRPWEQD-GOSISDBHSA-N -1 3 369.465 3.122 20 0 FGADHM O=C(NC1(c2cccc(-c3nnn[n-]3)c2)CC1)[C@H]1CCCc2ccccc21 ZINC000826428211 607416855 /nfs/dbraw/zinc/41/68/55/607416855.db2.gz STBDLWQNXMUBPN-SFHVURJKSA-N -1 3 359.433 3.092 20 0 FGADHM O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)[C@H]1CCCc2ccccc21 ZINC000826428211 607416858 /nfs/dbraw/zinc/41/68/58/607416858.db2.gz STBDLWQNXMUBPN-SFHVURJKSA-N -1 3 359.433 3.092 20 0 FGADHM C[C@H](CC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1ccc(F)cc1 ZINC000824385324 607417466 /nfs/dbraw/zinc/41/74/66/607417466.db2.gz QOUCRGMYJCHKNZ-CYBMUJFWSA-N -1 3 365.412 3.305 20 0 FGADHM C[C@H](CC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1ccc(F)cc1 ZINC000824385324 607417468 /nfs/dbraw/zinc/41/74/68/607417468.db2.gz QOUCRGMYJCHKNZ-CYBMUJFWSA-N -1 3 365.412 3.305 20 0 FGADHM Cc1cccc(NC(=O)[C@H]2CCCN(Cc3ccc(F)cc3C(=O)[O-])C2)n1 ZINC000738731248 600086078 /nfs/dbraw/zinc/08/60/78/600086078.db2.gz BCZRXHZHWDXDTG-HNNXBMFYSA-N -1 3 371.412 3.078 20 0 FGADHM O=C(NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1ccc(-n2cccc2)cc1 ZINC000826428222 607418539 /nfs/dbraw/zinc/41/85/39/607418539.db2.gz TUSHIODKJNJLPB-UHFFFAOYSA-N -1 3 370.416 3.077 20 0 FGADHM O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1ccc(-n2cccc2)cc1 ZINC000826428222 607418541 /nfs/dbraw/zinc/41/85/41/607418541.db2.gz TUSHIODKJNJLPB-UHFFFAOYSA-N -1 3 370.416 3.077 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)C/C=C\c1cccc(F)c1 ZINC000821741761 607419948 /nfs/dbraw/zinc/41/99/48/607419948.db2.gz RNIPRLXIYHMSOF-HYXAFXHYSA-N -1 3 368.368 3.161 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)C/C=C\c1cccc(F)c1 ZINC000821741761 607419950 /nfs/dbraw/zinc/41/99/50/607419950.db2.gz RNIPRLXIYHMSOF-HYXAFXHYSA-N -1 3 368.368 3.161 20 0 FGADHM O=C(C/C=C/c1cccc(F)c1)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826404526 607424324 /nfs/dbraw/zinc/42/43/24/607424324.db2.gz CVSSHDMMOJSFEJ-GORDUTHDSA-N -1 3 363.396 3.215 20 0 FGADHM O=C(C/C=C/c1cccc(F)c1)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826404526 607424326 /nfs/dbraw/zinc/42/43/26/607424326.db2.gz CVSSHDMMOJSFEJ-GORDUTHDSA-N -1 3 363.396 3.215 20 0 FGADHM CC[C@@H]1CCCCN1C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000820981790 607426842 /nfs/dbraw/zinc/42/68/42/607426842.db2.gz XBFNBEBBHGIBTC-CQSZACIVSA-N -1 3 358.446 3.450 20 0 FGADHM CC[C@@H]1CCCCN1C(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000820981790 607426843 /nfs/dbraw/zinc/42/68/43/607426843.db2.gz XBFNBEBBHGIBTC-CQSZACIVSA-N -1 3 358.446 3.450 20 0 FGADHM CCC[C@](C)(NCc1nc2ccccc2c(C)c1C(=O)OCC)C(=O)[O-] ZINC000736959254 600156198 /nfs/dbraw/zinc/15/61/98/600156198.db2.gz OLYJZCGWUHGIRY-FQEVSTJZSA-N -1 3 358.438 3.453 20 0 FGADHM Cc1ccc([C@@H](C)NC(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)o1 ZINC000822229186 607426759 /nfs/dbraw/zinc/42/67/59/607426759.db2.gz OQCWUEJPAFVJRE-GFCCVEGCSA-N -1 3 370.413 3.438 20 0 FGADHM Cc1ccc([C@@H](C)NC(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)o1 ZINC000822229186 607426760 /nfs/dbraw/zinc/42/67/60/607426760.db2.gz OQCWUEJPAFVJRE-GFCCVEGCSA-N -1 3 370.413 3.438 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(Cc1ccccc1)c1ccccn1 ZINC000826244607 607430279 /nfs/dbraw/zinc/43/02/79/607430279.db2.gz YMQYQURYLZEPLS-UHFFFAOYSA-N -1 3 370.416 3.417 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(Cc1ccccc1)c1ccccn1 ZINC000826244607 607430282 /nfs/dbraw/zinc/43/02/82/607430282.db2.gz YMQYQURYLZEPLS-UHFFFAOYSA-N -1 3 370.416 3.417 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(C)c1nc2ccccc2s1 ZINC000826243295 607430381 /nfs/dbraw/zinc/43/03/81/607430381.db2.gz BXZUPDQLVIKYIL-UHFFFAOYSA-N -1 3 350.407 3.061 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(C)c1nc2ccccc2s1 ZINC000826243295 607430382 /nfs/dbraw/zinc/43/03/82/607430382.db2.gz BXZUPDQLVIKYIL-UHFFFAOYSA-N -1 3 350.407 3.061 20 0 FGADHM CC[C@@](NC(=O)c1cccc(CN2CCCC2)c1)(C(=O)[O-])c1ccccc1 ZINC000736919731 600259421 /nfs/dbraw/zinc/25/94/21/600259421.db2.gz IWCJVNVXTMCCKY-QFIPXVFZSA-N -1 3 366.461 3.402 20 0 FGADHM CCOC(=O)c1oc2ccccc2c1CN1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000737156161 600299951 /nfs/dbraw/zinc/29/99/51/600299951.db2.gz HEXWHIDTLFXJKG-OAHLLOKOSA-N -1 3 357.406 3.296 20 0 FGADHM O=C([O-])NCc1ccc(NC(=O)c2cccc(CN3CCCC3)c2)cc1 ZINC000739993137 600311353 /nfs/dbraw/zinc/31/13/53/600311353.db2.gz ZRRZTGMMKXCSEG-UHFFFAOYSA-N -1 3 353.422 3.302 20 0 FGADHM CN(C(=O)c1ccc(-c2ccco2)s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825825873 607438599 /nfs/dbraw/zinc/43/85/99/607438599.db2.gz MFCAYNLIUZTLDR-UHFFFAOYSA-N -1 3 351.391 3.465 20 0 FGADHM CN(C(=O)c1ccc(-c2ccco2)s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825825873 607438601 /nfs/dbraw/zinc/43/86/01/607438601.db2.gz MFCAYNLIUZTLDR-UHFFFAOYSA-N -1 3 351.391 3.465 20 0 FGADHM CCc1ccc([C@@H]2CCCN2C[C@H](O)COc2ccc(C(=O)[O-])cc2)o1 ZINC000577499621 600410743 /nfs/dbraw/zinc/41/07/43/600410743.db2.gz DHHMTNOYSQKSJT-YJBOKZPZSA-N -1 3 359.422 3.117 20 0 FGADHM Cc1ccc([C@@H]2[C@H](C)CCCN2CC(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC000652422259 600440369 /nfs/dbraw/zinc/44/03/69/600440369.db2.gz VQRAZOUZEBKHFV-UZLBHIALSA-N -1 3 358.482 3.091 20 0 FGADHM CC(C)c1ccc(C(=O)O[C@H](C)COc2cccc(-c3nnn[n-]3)c2)cn1 ZINC000820294565 607444666 /nfs/dbraw/zinc/44/46/66/607444666.db2.gz UQETXYXIZPRBNV-CYBMUJFWSA-N -1 3 367.409 3.009 20 0 FGADHM CC(C)c1ccc(C(=O)O[C@H](C)COc2cccc(-c3nn[n-]n3)c2)cn1 ZINC000820294565 607444668 /nfs/dbraw/zinc/44/46/68/607444668.db2.gz UQETXYXIZPRBNV-CYBMUJFWSA-N -1 3 367.409 3.009 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)Cc1ccc(F)cc1Cl ZINC000826253805 607445169 /nfs/dbraw/zinc/44/51/69/607445169.db2.gz FMVIYMVVZZZHMI-UHFFFAOYSA-N -1 3 360.776 3.254 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)Cc1ccc(F)cc1Cl ZINC000826253805 607445171 /nfs/dbraw/zinc/44/51/71/607445171.db2.gz FMVIYMVVZZZHMI-UHFFFAOYSA-N -1 3 360.776 3.254 20 0 FGADHM Cc1ccc([C@H](C)NC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC000826282867 607453803 /nfs/dbraw/zinc/45/38/03/607453803.db2.gz DSTWTPRHQGHUDU-AWEZNQCLSA-N -1 3 362.437 3.225 20 0 FGADHM Cc1ccc([C@H](C)NC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000826282867 607453805 /nfs/dbraw/zinc/45/38/05/607453805.db2.gz DSTWTPRHQGHUDU-AWEZNQCLSA-N -1 3 362.437 3.225 20 0 FGADHM Cc1cc(NC(=O)NC[C@H]2CCCN2Cc2ccccc2)ccc1C(=O)[O-] ZINC000390513591 600543468 /nfs/dbraw/zinc/54/34/68/600543468.db2.gz CVJJSBVBVSHQPZ-GOSISDBHSA-N -1 3 367.449 3.479 20 0 FGADHM O=C([O-])c1ccc(NC(=O)NC[C@H]2CCCN2Cc2ccccc2)c(F)c1 ZINC000390643167 600543535 /nfs/dbraw/zinc/54/35/35/600543535.db2.gz LLOILBGPKCZCIR-MRXNPFEDSA-N -1 3 371.412 3.310 20 0 FGADHM C[C@@H]1Cc2ccccc2[C@H]1NC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000825012179 607456944 /nfs/dbraw/zinc/45/69/44/607456944.db2.gz DVJIGKVVPPDWLJ-ACJLOTCBSA-N -1 3 374.448 3.089 20 0 FGADHM C[C@@H]1Cc2ccccc2[C@H]1NC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000825012179 607456946 /nfs/dbraw/zinc/45/69/46/607456946.db2.gz DVJIGKVVPPDWLJ-ACJLOTCBSA-N -1 3 374.448 3.089 20 0 FGADHM CC(C)CN1C(=O)c2ccccc2N[C@H]1c1ccc(-c2nnn[n-]2)cc1F ZINC000820093359 607459296 /nfs/dbraw/zinc/45/92/96/607459296.db2.gz WPBUUWWJLFEURF-GOSISDBHSA-N -1 3 366.400 3.228 20 0 FGADHM CC(C)CN1C(=O)c2ccccc2N[C@H]1c1ccc(-c2nn[n-]n2)cc1F ZINC000820093359 607459298 /nfs/dbraw/zinc/45/92/98/607459298.db2.gz WPBUUWWJLFEURF-GOSISDBHSA-N -1 3 366.400 3.228 20 0 FGADHM CCO[C@H]1C[C@H](N(C)Cn2ncc3cc(C(=O)[O-])ccc32)C12CCCC2 ZINC000737164882 600706144 /nfs/dbraw/zinc/70/61/44/600706144.db2.gz KNRRZUSODZPXMO-ROUUACIJSA-N -1 3 357.454 3.362 20 0 FGADHM CC[C@](C)(NCc1cc(-c2nn[n-]n2)ccc1OC)c1nc(C)cs1 ZINC000825044714 607469064 /nfs/dbraw/zinc/46/90/64/607469064.db2.gz STAIDKBXHMHKRM-KRWDZBQOSA-N -1 3 358.471 3.055 20 0 FGADHM CCN(CC1CCN(Cc2occc2C(=O)[O-])CC1)C(=O)OC(C)(C)C ZINC000829692181 600800794 /nfs/dbraw/zinc/80/07/94/600800794.db2.gz BRTFJSDDESVYGG-UHFFFAOYSA-N -1 3 366.458 3.447 20 0 FGADHM O=C([O-])c1cc(F)ccc1COC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000740080194 600804119 /nfs/dbraw/zinc/80/41/19/600804119.db2.gz YSGHTBBPEBBMBR-UHFFFAOYSA-N -1 3 371.408 3.479 20 0 FGADHM CC[C@H](C)[C@H](NC(=O)CN(C)[C@@H]1CCC[C@@H]1c1ccc(C)cc1)C(=O)[O-] ZINC000828707253 600839343 /nfs/dbraw/zinc/83/93/43/600839343.db2.gz FBTKMXHUAYWJDC-MMTROXRISA-N -1 3 360.498 3.178 20 0 FGADHM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCC(C(=O)Nc2ccc(O)cc2)CC1 ZINC000736713372 600951595 /nfs/dbraw/zinc/95/15/95/600951595.db2.gz BCOFCTDFUVKDPQ-LBPRGKRZSA-N -1 3 358.394 3.095 20 0 FGADHM Cc1ccc([C@@H]2CCCCN2C[C@H](O)COc2ccc(C(=O)[O-])cc2)o1 ZINC000738583798 600968681 /nfs/dbraw/zinc/96/86/81/600968681.db2.gz RRRWEYPWHIWWKR-WMZOPIPTSA-N -1 3 359.422 3.253 20 0 FGADHM O=C([O-])c1ccc(-c2nc(CN3CCN4CCCC[C@@H]4C3)cs2)cc1 ZINC000833308212 601171222 /nfs/dbraw/zinc/17/12/22/601171222.db2.gz NXQZHWJNUWYBTK-QGZVFWFLSA-N -1 3 357.479 3.178 20 0 FGADHM CC(C)c1ncc(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)s1 ZINC000820206723 607497826 /nfs/dbraw/zinc/49/78/26/607497826.db2.gz XRGMRLNELLICII-UHFFFAOYSA-N -1 3 370.482 3.497 20 0 FGADHM CC(C)c1ncc(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)s1 ZINC000820206723 607497831 /nfs/dbraw/zinc/49/78/31/607497831.db2.gz XRGMRLNELLICII-UHFFFAOYSA-N -1 3 370.482 3.497 20 0 FGADHM COc1ccccc1[C@@H]1CCN(Cn2nc(C(=O)[O-])c3ccccc32)C1 ZINC000832603044 601401820 /nfs/dbraw/zinc/40/18/20/601401820.db2.gz YEWAJOPKLABRFN-CQSZACIVSA-N -1 3 351.406 3.190 20 0 FGADHM CCCCn1ncc(NC(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1C ZINC000821083043 607506544 /nfs/dbraw/zinc/50/65/44/607506544.db2.gz SEKIXXNIBVZICT-GFCCVEGCSA-N -1 3 368.445 3.054 20 0 FGADHM CCCCn1ncc(NC(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000821083043 607506547 /nfs/dbraw/zinc/50/65/47/607506547.db2.gz SEKIXXNIBVZICT-GFCCVEGCSA-N -1 3 368.445 3.054 20 0 FGADHM CCc1oc(C(=O)[O-])cc1CN1CCC(C(=O)Nc2ccc(C)cn2)CC1 ZINC000830362642 601413456 /nfs/dbraw/zinc/41/34/56/601413456.db2.gz FVKPWWWJVRJWSW-UHFFFAOYSA-N -1 3 371.437 3.094 20 0 FGADHM CCc1oc(C(=O)[O-])cc1CN1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000830369040 601414962 /nfs/dbraw/zinc/41/49/62/601414962.db2.gz IHCANAXQRBSXEV-CYBMUJFWSA-N -1 3 366.458 3.277 20 0 FGADHM CCc1oc(C(=O)[O-])cc1CN1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000830369043 601415031 /nfs/dbraw/zinc/41/50/31/601415031.db2.gz IHCANAXQRBSXEV-ZDUSSCGKSA-N -1 3 366.458 3.277 20 0 FGADHM C[C@@H]1CN([C@@H](c2nc(-c3ccccc3)no2)c2ccccc2)C[C@@H]1C(=O)[O-] ZINC000828420232 601505114 /nfs/dbraw/zinc/50/51/14/601505114.db2.gz BJZAUDYNLFRYGQ-FHLIZLRMSA-N -1 3 363.417 3.479 20 0 FGADHM Cc1ccc(C(=O)[O-])cc1NC(=O)N(CCN(C)C)Cc1cccs1 ZINC000832917533 601529139 /nfs/dbraw/zinc/52/91/39/601529139.db2.gz WXHIVFIIJYCQQP-UHFFFAOYSA-N -1 3 361.467 3.350 20 0 FGADHM C[C@H](C(=O)[O-])[C@H](NCC(=O)N1c2ccccc2CC[C@@H]1C)c1ccccc1 ZINC000826044820 601653033 /nfs/dbraw/zinc/65/30/33/601653033.db2.gz LYUFIQRGKRISGF-QYWGDWMGSA-N -1 3 366.461 3.406 20 0 FGADHM CCc1ccc(CN(C)C(=O)CN[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])cc1 ZINC000830245185 601656119 /nfs/dbraw/zinc/65/61/19/601656119.db2.gz RZLZYJDIGQYLQA-IERDGZPVSA-N -1 3 368.477 3.259 20 0 FGADHM Cc1ccccc1CN(C)C(=O)CN[C@@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000832979405 601657408 /nfs/dbraw/zinc/65/74/08/601657408.db2.gz LTYFFPSSEMULCA-OXQOHEQNSA-N -1 3 354.450 3.005 20 0 FGADHM C/C(=C\C(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1)C(C)(C)C ZINC000825716346 601730598 /nfs/dbraw/zinc/73/05/98/601730598.db2.gz CUHZZUOGIKYBPX-WMJZSHNHSA-N -1 3 358.482 3.214 20 0 FGADHM Cc1ccc(C)c(C(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)c1 ZINC000832926118 601733245 /nfs/dbraw/zinc/73/32/45/601733245.db2.gz NPBZQAHRNVTFJR-JOCHJYFZSA-N -1 3 366.461 3.153 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1CN1CCCC[C@H]1c1nc(C)cs1 ZINC000826183562 607524656 /nfs/dbraw/zinc/52/46/56/607524656.db2.gz SVGRPHBGVPQZGE-HNNXBMFYSA-N -1 3 370.482 3.367 20 0 FGADHM O=C([O-])c1cc(CNCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)c[nH]1 ZINC000833297417 601832780 /nfs/dbraw/zinc/83/27/80/601832780.db2.gz HNLITLYACGDLMJ-UHFFFAOYSA-N -1 3 364.327 3.207 20 0 FGADHM O=C([O-])c1cc(CNCc2cn(-c3ccccc3)nc2-c2ccncc2)c[nH]1 ZINC000833298009 601833212 /nfs/dbraw/zinc/83/32/12/601833212.db2.gz QHQLUYSNVXIMLG-UHFFFAOYSA-N -1 3 373.416 3.250 20 0 FGADHM Cc1ccc(CN(C(=O)CN2CCC(CCC(=O)[O-])CC2)C2CC2)cc1 ZINC000662218505 601840084 /nfs/dbraw/zinc/84/00/84/601840084.db2.gz PKVBYNXSWQSVTH-UHFFFAOYSA-N -1 3 358.482 3.063 20 0 FGADHM O=C([O-])Nc1ccc(NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)cn1 ZINC000740708178 602035904 /nfs/dbraw/zinc/03/59/04/602035904.db2.gz PDBNNCMLUYDYOL-AWEZNQCLSA-N -1 3 372.400 3.161 20 0 FGADHM Cc1nc([C@@H]2CCCN([C@H](C(=O)[O-])c3cc(Cl)cc(Cl)c3)C2)n[nH]1 ZINC000832996794 602051583 /nfs/dbraw/zinc/05/15/83/602051583.db2.gz GESPKQQNKYLKPM-YGRLFVJLSA-N -1 3 369.252 3.425 20 0 FGADHM Cc1n[nH]c([C@@H]2CCCN([C@H](C(=O)[O-])c3cc(Cl)cc(Cl)c3)C2)n1 ZINC000832996794 602051586 /nfs/dbraw/zinc/05/15/86/602051586.db2.gz GESPKQQNKYLKPM-YGRLFVJLSA-N -1 3 369.252 3.425 20 0 FGADHM Cc1cc(C(F)(F)F)c(-c2nnn[n-]2)c(SCc2nccs2)n1 ZINC000826262710 607543180 /nfs/dbraw/zinc/54/31/80/607543180.db2.gz WKHOQLQDXGBTSU-UHFFFAOYSA-N -1 3 358.374 3.338 20 0 FGADHM Fc1ccc([C@@H](NCc2ccnc(-c3nnn[n-]3)c2)c2cccs2)cc1 ZINC000826373797 607548028 /nfs/dbraw/zinc/54/80/28/607548028.db2.gz ZYYFRNKKWKTFTR-QGZVFWFLSA-N -1 3 366.425 3.342 20 0 FGADHM COc1cccc(-c2nc(CN[C@H](C(=O)[O-])C(C)(C)C)cs2)c1OC ZINC000832514719 602226845 /nfs/dbraw/zinc/22/68/45/602226845.db2.gz JEAWHIBPUMSNLR-OAHLLOKOSA-N -1 3 364.467 3.416 20 0 FGADHM C[C@H](NC(=O)[O-])[C@H]1CCCCN1Cc1ccc(OCc2nccn2C)cc1 ZINC000739005002 602259946 /nfs/dbraw/zinc/25/99/46/602259946.db2.gz VENMFQFJYVVPHW-MAUKXSAKSA-N -1 3 372.469 3.010 20 0 FGADHM CN(C)C[C@@H](NC(=O)Nc1ccc2c(c1)CCN2C(=O)[O-])c1ccccc1 ZINC000739608097 602279734 /nfs/dbraw/zinc/27/97/34/602279734.db2.gz QGIMQVOXVZUCPN-QGZVFWFLSA-N -1 3 368.437 3.152 20 0 FGADHM CCC[C@H](O)CC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825247844 607559399 /nfs/dbraw/zinc/55/93/99/607559399.db2.gz IMKHNNQRLQOAEG-HNNXBMFYSA-N -1 3 367.409 3.149 20 0 FGADHM CCC[C@H](O)CC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825247844 607559402 /nfs/dbraw/zinc/55/94/02/607559402.db2.gz IMKHNNQRLQOAEG-HNNXBMFYSA-N -1 3 367.409 3.149 20 0 FGADHM O=C(OCC1CC=CC1)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000826462830 607562343 /nfs/dbraw/zinc/56/23/43/607562343.db2.gz KGCMKRIIFBKSGM-UHFFFAOYSA-N -1 3 366.377 3.162 20 0 FGADHM O=C(OCC1CC=CC1)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000826462830 607562345 /nfs/dbraw/zinc/56/23/45/607562345.db2.gz KGCMKRIIFBKSGM-UHFFFAOYSA-N -1 3 366.377 3.162 20 0 FGADHM CCC(CC)[C@H](CCNC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)OC ZINC000825096973 607562762 /nfs/dbraw/zinc/56/27/62/607562762.db2.gz RNAASMAYCYTKGE-GUYCJALGSA-N -1 3 374.489 3.068 20 0 FGADHM CCC(CC)[C@H](CCNC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)OC ZINC000825096973 607562763 /nfs/dbraw/zinc/56/27/63/607562763.db2.gz RNAASMAYCYTKGE-GUYCJALGSA-N -1 3 374.489 3.068 20 0 FGADHM Cc1ccc([C@@H](CNC(=O)c2ccc(F)c(NC(=O)[O-])c2)N(C)C)cc1 ZINC000740117612 602507234 /nfs/dbraw/zinc/50/72/34/602507234.db2.gz KSYUYBNFVMZINI-QGZVFWFLSA-N -1 3 359.401 3.257 20 0 FGADHM CC[C@H](SC)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@@H](C)C2 ZINC000825158918 607573828 /nfs/dbraw/zinc/57/38/28/607573828.db2.gz DROXQRLBWAVOOP-SCZZXKLOSA-N -1 3 351.501 3.133 20 0 FGADHM CC[C@H](SC)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@@H](C)C2 ZINC000825158918 607573829 /nfs/dbraw/zinc/57/38/29/607573829.db2.gz DROXQRLBWAVOOP-SCZZXKLOSA-N -1 3 351.501 3.133 20 0 FGADHM Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1CNCCCNC(=O)[O-] ZINC000740246153 602648076 /nfs/dbraw/zinc/64/80/76/602648076.db2.gz KHMPCCGRXHKCAA-UHFFFAOYSA-N -1 3 357.241 3.235 20 0 FGADHM O=C([O-])N1CC[C@@H](NCc2cccc(NC(=O)c3ccccc3Cl)c2)C1 ZINC000740470606 602878166 /nfs/dbraw/zinc/87/81/66/602878166.db2.gz RJTMOQYDEYOKED-OAHLLOKOSA-N -1 3 373.840 3.434 20 0 FGADHM COc1ccc(COC(=O)C23CC4CC(CC(C4)C2)C3)cc1-c1nnn[n-]1 ZINC000826205081 607595280 /nfs/dbraw/zinc/59/52/80/607595280.db2.gz JREMLDONOYNFHB-UHFFFAOYSA-N -1 3 368.437 3.135 20 0 FGADHM COc1ccc(COC(=O)C23CC4CC(CC(C4)C2)C3)cc1-c1nn[n-]n1 ZINC000826205081 607595281 /nfs/dbraw/zinc/59/52/81/607595281.db2.gz JREMLDONOYNFHB-UHFFFAOYSA-N -1 3 368.437 3.135 20 0 FGADHM COc1ccc(COC(=O)c2cccc(C(F)F)c2)cc1-c1nnn[n-]1 ZINC000826206236 607605811 /nfs/dbraw/zinc/60/58/11/607605811.db2.gz JSBXAGPRCRCXJW-UHFFFAOYSA-N -1 3 360.320 3.170 20 0 FGADHM COc1ccc(COC(=O)c2cccc(C(F)F)c2)cc1-c1nn[n-]n1 ZINC000826206236 607605813 /nfs/dbraw/zinc/60/58/13/607605813.db2.gz JSBXAGPRCRCXJW-UHFFFAOYSA-N -1 3 360.320 3.170 20 0 FGADHM COc1ccc(COC(=O)C(C)=Cc2ccc(F)cc2)cc1-c1nnn[n-]1 ZINC000826204479 607612323 /nfs/dbraw/zinc/61/23/23/607612323.db2.gz MSOXZZKZDAJHQA-FMIVXFBMSA-N -1 3 368.368 3.161 20 0 FGADHM COc1ccc(COC(=O)C(C)=Cc2ccc(F)cc2)cc1-c1nn[n-]n1 ZINC000826204479 607612325 /nfs/dbraw/zinc/61/23/25/607612325.db2.gz MSOXZZKZDAJHQA-FMIVXFBMSA-N -1 3 368.368 3.161 20 0 FGADHM Cc1sc2[n-]c([C@H](C)[NH2+][C@@H]3CCC[C@@H]3CNC(=O)[O-])nc(=O)c2c1C ZINC000830956427 603653761 /nfs/dbraw/zinc/65/37/61/603653761.db2.gz HUZREIPVOYFISV-MVWJERBFSA-N -1 3 364.471 3.101 20 0 FGADHM CCN1CCN(c2ccc(C(=O)Nc3ccccc3NC(=O)[O-])cc2)CC1 ZINC000827227782 603744862 /nfs/dbraw/zinc/74/48/62/603744862.db2.gz JCMZZPFOQVATJE-UHFFFAOYSA-N -1 3 368.437 3.171 20 0 FGADHM C[C@@H](NC(=O)CN(C)C1CCC(NC(=O)[O-])CC1)c1ccc(Cl)cc1 ZINC000825115469 603786844 /nfs/dbraw/zinc/78/68/44/603786844.db2.gz LYCHNMHOHJCJIN-UWTIGNOOSA-N -1 3 367.877 3.028 20 0 FGADHM COc1ccc([C@H]2CCCN2C(=O)c2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000826189744 607651345 /nfs/dbraw/zinc/65/13/45/607651345.db2.gz DFNMMBREVNMEEB-GOSISDBHSA-N -1 3 363.421 3.161 20 0 FGADHM COc1ccc([C@H]2CCCN2C(=O)c2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000826189744 607651348 /nfs/dbraw/zinc/65/13/48/607651348.db2.gz DFNMMBREVNMEEB-GOSISDBHSA-N -1 3 363.421 3.161 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NCCCO[C@@H](C)c1ccccc1 ZINC000826248455 607651936 /nfs/dbraw/zinc/65/19/36/607651936.db2.gz JZJJMAFEPKNQBM-HNNXBMFYSA-N -1 3 365.437 3.073 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NCCCO[C@@H](C)c1ccccc1 ZINC000826248455 607651937 /nfs/dbraw/zinc/65/19/37/607651937.db2.gz JZJJMAFEPKNQBM-HNNXBMFYSA-N -1 3 365.437 3.073 20 0 FGADHM Cc1nc(-c2ccc(NC(=O)c3ccc(-c4nnn[n-]4)cc3C)cc2)co1 ZINC000826322492 607657221 /nfs/dbraw/zinc/65/72/21/607657221.db2.gz OXPOBPUCUBSXBT-UHFFFAOYSA-N -1 3 360.377 3.391 20 0 FGADHM Cc1nc(-c2ccc(NC(=O)c3ccc(-c4nn[n-]n4)cc3C)cc2)co1 ZINC000826322492 607657222 /nfs/dbraw/zinc/65/72/22/607657222.db2.gz OXPOBPUCUBSXBT-UHFFFAOYSA-N -1 3 360.377 3.391 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1-c1nc(Cc2ccccc2Cl)no1 ZINC000826243821 607657974 /nfs/dbraw/zinc/65/79/74/607657974.db2.gz WSVWTJWKJGMGRV-UHFFFAOYSA-N -1 3 352.785 3.469 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1-c1nc(Cc2ccccc2Cl)no1 ZINC000826243821 607657976 /nfs/dbraw/zinc/65/79/76/607657976.db2.gz WSVWTJWKJGMGRV-UHFFFAOYSA-N -1 3 352.785 3.469 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCCc2cc(F)c(F)cc21 ZINC000826245089 607664707 /nfs/dbraw/zinc/66/47/07/607664707.db2.gz NQRMRSCEEUOBAM-UHFFFAOYSA-N -1 3 355.348 3.046 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCCc2cc(F)c(F)cc21 ZINC000826245089 607664709 /nfs/dbraw/zinc/66/47/09/607664709.db2.gz NQRMRSCEEUOBAM-UHFFFAOYSA-N -1 3 355.348 3.046 20 0 FGADHM C[C@@H](Cc1cccc(Br)c1)Nc1ccc(-c2nnn[n-]2)nc1 ZINC000824458712 607667356 /nfs/dbraw/zinc/66/73/56/607667356.db2.gz XVIKNUCUBRDBNA-JTQLQIEISA-N -1 3 359.231 3.067 20 0 FGADHM C[C@@H](Cc1cccc(Br)c1)Nc1ccc(-c2nn[n-]n2)nc1 ZINC000824458712 607667358 /nfs/dbraw/zinc/66/73/58/607667358.db2.gz XVIKNUCUBRDBNA-JTQLQIEISA-N -1 3 359.231 3.067 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccc(N(C)C)c(Cl)c1 ZINC000826250394 607667391 /nfs/dbraw/zinc/66/73/91/607667391.db2.gz YSZFHMKKSQCIFU-UHFFFAOYSA-N -1 3 356.817 3.147 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccc(N(C)C)c(Cl)c1 ZINC000826250394 607667392 /nfs/dbraw/zinc/66/73/92/607667392.db2.gz YSZFHMKKSQCIFU-UHFFFAOYSA-N -1 3 356.817 3.147 20 0 FGADHM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1ccc(-c2ccccc2)cc1 ZINC000824513995 607684403 /nfs/dbraw/zinc/68/44/03/607684403.db2.gz LGUQACSJTMWSJX-ZDUSSCGKSA-N -1 3 358.405 3.353 20 0 FGADHM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1ccc(-c2ccccc2)cc1 ZINC000824513995 607684405 /nfs/dbraw/zinc/68/44/05/607684405.db2.gz LGUQACSJTMWSJX-ZDUSSCGKSA-N -1 3 358.405 3.353 20 0 FGADHM COc1ccc(CNc2c(C)cc(N(C)C)cc2C)cc1-c1nnn[n-]1 ZINC000826203237 607686050 /nfs/dbraw/zinc/68/60/50/607686050.db2.gz FZNZIHFKVFJKGU-UHFFFAOYSA-N -1 3 352.442 3.170 20 0 FGADHM COc1ccc(CNc2c(C)cc(N(C)C)cc2C)cc1-c1nn[n-]n1 ZINC000826203237 607686052 /nfs/dbraw/zinc/68/60/52/607686052.db2.gz FZNZIHFKVFJKGU-UHFFFAOYSA-N -1 3 352.442 3.170 20 0 FGADHM Cc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)cc2C)cc1OC(F)F ZINC000826291218 607691213 /nfs/dbraw/zinc/69/12/13/607691213.db2.gz UYSBDIQVGUPEAL-UHFFFAOYSA-N -1 3 359.336 3.337 20 0 FGADHM Cc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)cc2C)cc1OC(F)F ZINC000826291218 607691215 /nfs/dbraw/zinc/69/12/15/607691215.db2.gz UYSBDIQVGUPEAL-UHFFFAOYSA-N -1 3 359.336 3.337 20 0 FGADHM COc1ccc([C@H](C)CCNC(=O)c2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000826188017 607695471 /nfs/dbraw/zinc/69/54/71/607695471.db2.gz LLBNNQKLSBYIRL-CYBMUJFWSA-N -1 3 365.437 3.107 20 0 FGADHM COc1ccc([C@H](C)CCNC(=O)c2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000826188017 607695473 /nfs/dbraw/zinc/69/54/73/607695473.db2.gz LLBNNQKLSBYIRL-CYBMUJFWSA-N -1 3 365.437 3.107 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1cc(F)ccc1NC(C)C ZINC000826250194 607699053 /nfs/dbraw/zinc/69/90/53/607699053.db2.gz OUCIKUGAXBTDAM-UHFFFAOYSA-N -1 3 354.389 3.387 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1cc(F)ccc1NC(C)C ZINC000826250194 607699054 /nfs/dbraw/zinc/69/90/54/607699054.db2.gz OUCIKUGAXBTDAM-UHFFFAOYSA-N -1 3 354.389 3.387 20 0 FGADHM C[C@H](c1cc2ccccc2o1)N(C)C(=O)CN(C[C@H](C)C(=O)[O-])C1CC1 ZINC000827449867 604745304 /nfs/dbraw/zinc/74/53/04/604745304.db2.gz PDQRQCNBKBIKHN-UONOGXRCSA-N -1 3 358.438 3.137 20 0 FGADHM CC(C)(COc1ncccc1Br)NCc1ccc(C(=O)[O-])o1 ZINC000833461740 604754626 /nfs/dbraw/zinc/75/46/26/604754626.db2.gz JDAJGCDFKQHYDM-UHFFFAOYSA-N -1 3 369.215 3.083 20 0 FGADHM C[C@@H]1Cc2ccccc2N1C1CCN([C@@H](C(=O)[O-])c2cccnc2)CC1 ZINC000833634505 604923371 /nfs/dbraw/zinc/92/33/71/604923371.db2.gz MLDOSYULOGGQQM-FOIQADDNSA-N -1 3 351.450 3.123 20 0 FGADHM C[C@H](C(=O)Nc1ccc(F)c(F)c1)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000833410178 604942702 /nfs/dbraw/zinc/94/27/02/604942702.db2.gz VVHLVZKNIDLLDH-VXGBXAGGSA-N -1 3 354.397 3.115 20 0 FGADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(CC(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000833421583 604945507 /nfs/dbraw/zinc/94/55/07/604945507.db2.gz SDOGGLPCBGMCKX-CYBMUJFWSA-N -1 3 372.387 3.467 20 0 FGADHM CC(C)Sc1ccc([C@H](C)NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)cc1 ZINC000824338002 607724837 /nfs/dbraw/zinc/72/48/37/607724837.db2.gz MHLUXPYOYFVBCZ-NSHDSACASA-N -1 3 356.455 3.186 20 0 FGADHM CC(C)Sc1ccc([C@H](C)NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)cc1 ZINC000824338002 607724839 /nfs/dbraw/zinc/72/48/39/607724839.db2.gz MHLUXPYOYFVBCZ-NSHDSACASA-N -1 3 356.455 3.186 20 0 FGADHM CC(C)(C(=O)[O-])[C@H]1CCCN(Cc2nc(-c3ccc(F)c(F)c3)no2)C1 ZINC000833420788 604950829 /nfs/dbraw/zinc/95/08/29/604950829.db2.gz ZCKKPICTDKRATC-LBPRGKRZSA-N -1 3 365.380 3.338 20 0 FGADHM C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1Cc1ccc(F)cc1C(=O)[O-] ZINC000833599384 604972847 /nfs/dbraw/zinc/97/28/47/604972847.db2.gz DTUHJQUFPSENQB-DOMZBBRYSA-N -1 3 366.433 3.402 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1ccc(F)cc1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826454445 607726096 /nfs/dbraw/zinc/72/60/96/607726096.db2.gz WYNQZUYHLFISNV-UHFFFAOYSA-N -1 3 366.331 3.392 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1ccc(F)cc1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826454445 607726098 /nfs/dbraw/zinc/72/60/98/607726098.db2.gz WYNQZUYHLFISNV-UHFFFAOYSA-N -1 3 366.331 3.392 20 0 FGADHM CC(C)(C)Cc1nc2cc(NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)ccc2o1 ZINC000824093682 607732631 /nfs/dbraw/zinc/73/26/31/607732631.db2.gz JMKYVSDPGXQIDT-UHFFFAOYSA-N -1 3 365.397 3.177 20 0 FGADHM CC(C)(C)Cc1nc2cc(NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)ccc2o1 ZINC000824093682 607732633 /nfs/dbraw/zinc/73/26/33/607732633.db2.gz JMKYVSDPGXQIDT-UHFFFAOYSA-N -1 3 365.397 3.177 20 0 FGADHM C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1Cc1ccc(C(=O)[O-])c(F)c1 ZINC000833594686 605086137 /nfs/dbraw/zinc/08/61/37/605086137.db2.gz FVOKTMHHSNCKPB-TZMCWYRMSA-N -1 3 366.433 3.259 20 0 FGADHM Cc1noc(C)c1[C@@H](C)CNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000826339329 607734396 /nfs/dbraw/zinc/73/43/96/607734396.db2.gz ZURKETXHFJPYAX-ZETCQYMHSA-N -1 3 367.335 3.101 20 0 FGADHM Cc1noc(C)c1[C@@H](C)CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000826339329 607734397 /nfs/dbraw/zinc/73/43/97/607734397.db2.gz ZURKETXHFJPYAX-ZETCQYMHSA-N -1 3 367.335 3.101 20 0 FGADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2NC1CCC(OC(C)C)CC1 ZINC000826304637 607734990 /nfs/dbraw/zinc/73/49/90/607734990.db2.gz SNVDBRYKRCCDIV-UHFFFAOYSA-N -1 3 366.469 3.293 20 0 FGADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2NC1CCC(OC(C)C)CC1 ZINC000826304637 607734991 /nfs/dbraw/zinc/73/49/91/607734991.db2.gz SNVDBRYKRCCDIV-UHFFFAOYSA-N -1 3 366.469 3.293 20 0 FGADHM Cc1c2ccccc2oc1[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)C ZINC000826235973 607736615 /nfs/dbraw/zinc/73/66/15/607736615.db2.gz VVKGTWGTZXFTIX-INIZCTEOSA-N -1 3 364.409 3.377 20 0 FGADHM Cc1c2ccccc2oc1[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)C ZINC000826235973 607736616 /nfs/dbraw/zinc/73/66/16/607736616.db2.gz VVKGTWGTZXFTIX-INIZCTEOSA-N -1 3 364.409 3.377 20 0 FGADHM CCCN(Cc1nc(C2CCCC2)no1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000825323584 607737299 /nfs/dbraw/zinc/73/72/99/607737299.db2.gz ZAEWCXDGUOPVMS-UHFFFAOYSA-N -1 3 367.457 3.320 20 0 FGADHM CCCN(Cc1nc(C2CCCC2)no1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000825323584 607737300 /nfs/dbraw/zinc/73/73/00/607737300.db2.gz ZAEWCXDGUOPVMS-UHFFFAOYSA-N -1 3 367.457 3.320 20 0 FGADHM C[C@]1(NCc2cn(-c3ccc(F)c(Cl)c3)nn2)CCCC[C@H]1C(=O)[O-] ZINC000833569576 605267521 /nfs/dbraw/zinc/26/75/21/605267521.db2.gz NBMIOLMWCVKCJO-GUYCJALGSA-N -1 3 366.824 3.183 20 0 FGADHM CC(C)(C)OC(=O)C[C@H]1CCCN(Cc2ccc(OCC(=O)[O-])cc2)C1 ZINC000833431728 605298706 /nfs/dbraw/zinc/29/87/06/605298706.db2.gz CAMRWTKKQGWEDX-MRXNPFEDSA-N -1 3 363.454 3.094 20 0 FGADHM C[C@@H]1CN(C(C)(C)CN[C@H](C(=O)[O-])c2c(F)cccc2Cl)C[C@H](C)O1 ZINC000833620089 605355677 /nfs/dbraw/zinc/35/56/77/605355677.db2.gz CJAWSDFVXZVSKZ-OZVIIMIRSA-N -1 3 372.868 3.082 20 0 FGADHM CCOC(=O)Nc1ccc(NC(=O)Nc2ccccc2)cc1-c1nnn[n-]1 ZINC000825545003 607757713 /nfs/dbraw/zinc/75/77/13/607757713.db2.gz KONWFOCFAPMWGM-UHFFFAOYSA-N -1 3 367.369 3.079 20 0 FGADHM CCOC(=O)Nc1ccc(NC(=O)Nc2ccccc2)cc1-c1nn[n-]n1 ZINC000825545003 607757714 /nfs/dbraw/zinc/75/77/14/607757714.db2.gz KONWFOCFAPMWGM-UHFFFAOYSA-N -1 3 367.369 3.079 20 0 FGADHM CCc1oc(C(=O)[O-])cc1CN1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000833678905 605476049 /nfs/dbraw/zinc/47/60/49/605476049.db2.gz REZSYUPJKYWGEI-STQMWFEESA-N -1 3 366.458 3.275 20 0 FGADHM O=C([O-])N1CCC[C@@H]1C1CCN(Cc2c[nH]nc2-c2cccs2)CC1 ZINC000834111097 605496179 /nfs/dbraw/zinc/49/61/79/605496179.db2.gz ZKQNSVPBHWQBDF-OAHLLOKOSA-N -1 3 360.483 3.493 20 0 FGADHM CCOC(=O)Nc1ccc(NC(=O)CC2=CCCCC2)cc1-c1nnn[n-]1 ZINC000825532626 607761207 /nfs/dbraw/zinc/76/12/07/607761207.db2.gz VSMHITKENJHERV-UHFFFAOYSA-N -1 3 370.413 3.264 20 0 FGADHM CCOC(=O)Nc1ccc(NC(=O)CC2=CCCCC2)cc1-c1nn[n-]n1 ZINC000825532626 607761208 /nfs/dbraw/zinc/76/12/08/607761208.db2.gz VSMHITKENJHERV-UHFFFAOYSA-N -1 3 370.413 3.264 20 0 FGADHM CC(C)C[C@H](C)NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000824229471 607762419 /nfs/dbraw/zinc/76/24/19/607762419.db2.gz RBKTWBKYGCBSOG-VIFPVBQESA-N -1 3 354.361 3.024 20 0 FGADHM CC(C)C[C@H](C)NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000824229471 607762420 /nfs/dbraw/zinc/76/24/20/607762420.db2.gz RBKTWBKYGCBSOG-VIFPVBQESA-N -1 3 354.361 3.024 20 0 FGADHM O=C(N[C@@H](CC1CCCC1)c1ccccc1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826426578 607768121 /nfs/dbraw/zinc/76/81/21/607768121.db2.gz QRFCOEAVRDXPBF-KRWDZBQOSA-N -1 3 350.426 3.246 20 0 FGADHM O=C(N[C@@H](CC1CCCC1)c1ccccc1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826426578 607768122 /nfs/dbraw/zinc/76/81/22/607768122.db2.gz QRFCOEAVRDXPBF-KRWDZBQOSA-N -1 3 350.426 3.246 20 0 FGADHM O=C(C=Cc1ccco1)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000826402796 607771356 /nfs/dbraw/zinc/77/13/56/607771356.db2.gz BUMYHOBHDREISO-VOTSOKGWSA-N -1 3 364.390 3.235 20 0 FGADHM O=C(C=Cc1ccco1)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826402796 607771357 /nfs/dbraw/zinc/77/13/57/607771357.db2.gz BUMYHOBHDREISO-VOTSOKGWSA-N -1 3 364.390 3.235 20 0 FGADHM Cc1ccc(CN(C)C)cc1NC(=O)[C@H]1c2ccccc2CCN1C(=O)[O-] ZINC000830308465 605767270 /nfs/dbraw/zinc/76/72/70/605767270.db2.gz JTCQISIWNQWCSO-LJQANCHMSA-N -1 3 367.449 3.273 20 0 FGADHM Cc1ccc([C@H](CNC(=O)c2ccc(NC(=O)[O-])c(C)c2)N(C)C)cc1 ZINC000830262438 605894208 /nfs/dbraw/zinc/89/42/08/605894208.db2.gz QFQXVUBEEWUZEQ-SFHVURJKSA-N -1 3 355.438 3.426 20 0 FGADHM O=C([O-])NC1C[C@H]2CCC[C@@H](C1)N2Cc1cnc(-c2ccccc2)nc1 ZINC000832239435 605944550 /nfs/dbraw/zinc/94/45/50/605944550.db2.gz HLSQFXYJSLXIMJ-AYHJJNSGSA-N -1 3 352.438 3.297 20 0 FGADHM O=C(CC1CCCCCC1)Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822941349 606023013 /nfs/dbraw/zinc/02/30/13/606023013.db2.gz VMJPSGJMEBFXEV-UHFFFAOYSA-N -1 3 365.441 3.351 20 0 FGADHM COc1cc([C@H](C)Nc2ccc(-c3nnn[n-]3)nc2)ccc1OCC(C)C ZINC000821708367 606039685 /nfs/dbraw/zinc/03/96/85/606039685.db2.gz NZCKOJMFDXTCJE-ZDUSSCGKSA-N -1 3 368.441 3.478 20 0 FGADHM COc1cc([C@H](C)Nc2ccc(-c3nn[n-]n3)nc2)ccc1OCC(C)C ZINC000821708367 606039688 /nfs/dbraw/zinc/03/96/88/606039688.db2.gz NZCKOJMFDXTCJE-ZDUSSCGKSA-N -1 3 368.441 3.478 20 0 FGADHM c1coc(COCc2cccc(CNc3ccc(-c4nnn[n-]4)nc3)c2)c1 ZINC000823751677 606044309 /nfs/dbraw/zinc/04/43/09/606044309.db2.gz PRUDPTLRZCMRJW-UHFFFAOYSA-N -1 3 362.393 3.184 20 0 FGADHM c1coc(COCc2cccc(CNc3ccc(-c4nn[n-]n4)nc3)c2)c1 ZINC000823751677 606044315 /nfs/dbraw/zinc/04/43/15/606044315.db2.gz PRUDPTLRZCMRJW-UHFFFAOYSA-N -1 3 362.393 3.184 20 0 FGADHM CCCOc1ccc([C@H](C)Nc2ccc(-c3nnn[n-]3)nc2)cc1OC ZINC000821133646 606046810 /nfs/dbraw/zinc/04/68/10/606046810.db2.gz CFORBZPRPRIGDY-LBPRGKRZSA-N -1 3 354.414 3.232 20 0 FGADHM CCCOc1ccc([C@H](C)Nc2ccc(-c3nn[n-]n3)nc2)cc1OC ZINC000821133646 606046816 /nfs/dbraw/zinc/04/68/16/606046816.db2.gz CFORBZPRPRIGDY-LBPRGKRZSA-N -1 3 354.414 3.232 20 0 FGADHM O=C([O-])Nc1ccccc1CC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000834271816 606046847 /nfs/dbraw/zinc/04/68/47/606046847.db2.gz MHUBHXJYFQGNAE-GOSISDBHSA-N -1 3 367.449 3.100 20 0 FGADHM C[C@H](CNc1nc2ccccc2cc1-c1nnn[n-]1)Oc1ccccc1F ZINC000820280544 606094901 /nfs/dbraw/zinc/09/49/01/606094901.db2.gz JBMCTXOJPOOAST-GFCCVEGCSA-N -1 3 364.384 3.433 20 0 FGADHM C[C@H](CNc1nc2ccccc2cc1-c1nn[n-]n1)Oc1ccccc1F ZINC000820280544 606094903 /nfs/dbraw/zinc/09/49/03/606094903.db2.gz JBMCTXOJPOOAST-GFCCVEGCSA-N -1 3 364.384 3.433 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N1Cc2ccccc2[C@@H]1C ZINC000821406469 606115741 /nfs/dbraw/zinc/11/57/41/606115741.db2.gz FQRDINOSZLCGSB-LBPRGKRZSA-N -1 3 364.409 3.374 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N1Cc2ccccc2[C@@H]1C ZINC000821406469 606115743 /nfs/dbraw/zinc/11/57/43/606115743.db2.gz FQRDINOSZLCGSB-LBPRGKRZSA-N -1 3 364.409 3.374 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N1CCCC[C@@H]1c1nccs1 ZINC000823308813 606121383 /nfs/dbraw/zinc/12/13/83/606121383.db2.gz KAPYMYOMYFQLSJ-CYBMUJFWSA-N -1 3 355.427 3.082 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N1CCCC[C@@H]1c1nccs1 ZINC000823308813 606121384 /nfs/dbraw/zinc/12/13/84/606121384.db2.gz KAPYMYOMYFQLSJ-CYBMUJFWSA-N -1 3 355.427 3.082 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H]1CCCC1(C)C ZINC000821104382 606130632 /nfs/dbraw/zinc/13/06/32/606130632.db2.gz AVOQSIWBFBIKRB-INIZCTEOSA-N -1 3 356.474 3.367 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H]1CCCC1(C)C ZINC000821104382 606130634 /nfs/dbraw/zinc/13/06/34/606130634.db2.gz AVOQSIWBFBIKRB-INIZCTEOSA-N -1 3 356.474 3.367 20 0 FGADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1CCC[C@]2(CCCOC2)C1 ZINC000822331314 606142352 /nfs/dbraw/zinc/14/23/52/606142352.db2.gz DAPLCUNNNVZINM-FQEVSTJZSA-N -1 3 364.453 3.120 20 0 FGADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N1CCC[C@]2(CCCOC2)C1 ZINC000822331314 606142353 /nfs/dbraw/zinc/14/23/53/606142353.db2.gz DAPLCUNNNVZINM-FQEVSTJZSA-N -1 3 364.453 3.120 20 0 FGADHM O=C(C/C=C\c1cccc(F)c1)OCc1ccc(-c2nnn[n-]2)cc1F ZINC000822945561 606149295 /nfs/dbraw/zinc/14/92/95/606149295.db2.gz JYHFOJRUBOVTIY-RQOWECAXSA-N -1 3 356.332 3.292 20 0 FGADHM O=C(C/C=C\c1cccc(F)c1)OCc1ccc(-c2nn[n-]n2)cc1F ZINC000822945561 606149297 /nfs/dbraw/zinc/14/92/97/606149297.db2.gz JYHFOJRUBOVTIY-RQOWECAXSA-N -1 3 356.332 3.292 20 0 FGADHM Cc1noc(C)c1CN(C)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000822523714 606174769 /nfs/dbraw/zinc/17/47/69/606174769.db2.gz SHABTFSXDWIZPM-UHFFFAOYSA-N -1 3 352.320 3.127 20 0 FGADHM Cc1noc(C)c1CN(C)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000822523714 606174771 /nfs/dbraw/zinc/17/47/71/606174771.db2.gz SHABTFSXDWIZPM-UHFFFAOYSA-N -1 3 352.320 3.127 20 0 FGADHM Cc1ccn2cc(CNc3ccc(C(F)(F)F)cc3-c3nnn[n-]3)nc2c1 ZINC000822374269 606175347 /nfs/dbraw/zinc/17/53/47/606175347.db2.gz ONDLJVRLUPJYCP-UHFFFAOYSA-N -1 3 373.342 3.454 20 0 FGADHM Cc1ccn2cc(CNc3ccc(C(F)(F)F)cc3-c3nn[n-]n3)nc2c1 ZINC000822374269 606175350 /nfs/dbraw/zinc/17/53/50/606175350.db2.gz ONDLJVRLUPJYCP-UHFFFAOYSA-N -1 3 373.342 3.454 20 0 FGADHM O=C(Nc1ccccc1-c1nnn[n-]1)c1cccc(C(F)(F)F)c1F ZINC000823367281 606183867 /nfs/dbraw/zinc/18/38/67/606183867.db2.gz HZPFNWUPIVQZQV-UHFFFAOYSA-N -1 3 351.263 3.277 20 0 FGADHM O=C(Nc1ccccc1-c1nn[n-]n1)c1cccc(C(F)(F)F)c1F ZINC000823367281 606183869 /nfs/dbraw/zinc/18/38/69/606183869.db2.gz HZPFNWUPIVQZQV-UHFFFAOYSA-N -1 3 351.263 3.277 20 0 FGADHM C[C@H]1CCc2c(C(=O)Nc3ccc(F)cc3-c3nnn[n-]3)csc2C1 ZINC000820727342 606267813 /nfs/dbraw/zinc/26/78/13/606267813.db2.gz LAXQOVSWKCRLTM-VIFPVBQESA-N -1 3 357.414 3.444 20 0 FGADHM C[C@H]1CCc2c(C(=O)Nc3ccc(F)cc3-c3nn[n-]n3)csc2C1 ZINC000820727342 606267815 /nfs/dbraw/zinc/26/78/15/606267815.db2.gz LAXQOVSWKCRLTM-VIFPVBQESA-N -1 3 357.414 3.444 20 0 FGADHM C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820535745 606271441 /nfs/dbraw/zinc/27/14/41/606271441.db2.gz QNAJUHXQFDWULT-VIFPVBQESA-N -1 3 361.764 3.065 20 0 FGADHM C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820535745 606271443 /nfs/dbraw/zinc/27/14/43/606271443.db2.gz QNAJUHXQFDWULT-VIFPVBQESA-N -1 3 361.764 3.065 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)c1ccc(-n2cccc2)c(F)c1 ZINC000823347363 606272277 /nfs/dbraw/zinc/27/22/77/606272277.db2.gz WOYWCYDOWLMSKZ-UHFFFAOYSA-N -1 3 366.331 3.188 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)c1ccc(-n2cccc2)c(F)c1 ZINC000823347363 606272279 /nfs/dbraw/zinc/27/22/79/606272279.db2.gz WOYWCYDOWLMSKZ-UHFFFAOYSA-N -1 3 366.331 3.188 20 0 FGADHM CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000820939236 606282791 /nfs/dbraw/zinc/28/27/91/606282791.db2.gz RIZWOHHTHLYTHT-IRXDYDNUSA-N -1 3 364.453 3.004 20 0 FGADHM CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000820939236 606282792 /nfs/dbraw/zinc/28/27/92/606282792.db2.gz RIZWOHHTHLYTHT-IRXDYDNUSA-N -1 3 364.453 3.004 20 0 FGADHM CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000820939234 606282825 /nfs/dbraw/zinc/28/28/25/606282825.db2.gz RIZWOHHTHLYTHT-DLBZAZTESA-N -1 3 364.453 3.004 20 0 FGADHM CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000820939234 606282826 /nfs/dbraw/zinc/28/28/26/606282826.db2.gz RIZWOHHTHLYTHT-DLBZAZTESA-N -1 3 364.453 3.004 20 0 FGADHM Cc1cccc2c(=O)[nH]c(C(Cl)=Cc3cc(-c4nnn[n-]4)cs3)nc12 ZINC000822331309 606303826 /nfs/dbraw/zinc/30/38/26/606303826.db2.gz COZOCYKWTHEIIB-WUXMJOGZSA-N -1 3 370.825 3.210 20 0 FGADHM Cc1cccc2c(=O)[nH]c(C(Cl)=Cc3cc(-c4nn[n-]n4)cs3)nc12 ZINC000822331309 606303828 /nfs/dbraw/zinc/30/38/28/606303828.db2.gz COZOCYKWTHEIIB-WUXMJOGZSA-N -1 3 370.825 3.210 20 0 FGADHM CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000821222450 606314950 /nfs/dbraw/zinc/31/49/50/606314950.db2.gz SKNQMJFYPJSDPK-UHFFFAOYSA-N -1 3 365.224 3.164 20 0 FGADHM CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000821222450 606314951 /nfs/dbraw/zinc/31/49/51/606314951.db2.gz SKNQMJFYPJSDPK-UHFFFAOYSA-N -1 3 365.224 3.164 20 0 FGADHM COC(=O)[C@H](c1cccc(-c2nn[n-]n2)c1)N1CCC2(CCCCC2)CC1 ZINC000821651895 606319133 /nfs/dbraw/zinc/31/91/33/606319133.db2.gz IMUZIJLWCIOOAU-KRWDZBQOSA-N -1 3 369.469 3.127 20 0 FGADHM O=C(NC1(c2ccc(Cl)cc2)CCCC1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823140596 606319173 /nfs/dbraw/zinc/31/91/73/606319173.db2.gz XNUBKNCQQQNKGN-UHFFFAOYSA-N -1 3 356.817 3.048 20 0 FGADHM O=C(NC1(c2ccc(Cl)cc2)CCCC1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823140596 606319174 /nfs/dbraw/zinc/31/91/74/606319174.db2.gz XNUBKNCQQQNKGN-UHFFFAOYSA-N -1 3 356.817 3.048 20 0 FGADHM O=C(NC1CC1)[C@@H](Sc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC000823144390 606326131 /nfs/dbraw/zinc/32/61/31/606326131.db2.gz GKDKETBXLUJEHU-INIZCTEOSA-N -1 3 369.425 3.118 20 0 FGADHM O=C(NC1CC1)[C@@H](Sc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC000823144390 606326133 /nfs/dbraw/zinc/32/61/33/606326133.db2.gz GKDKETBXLUJEHU-INIZCTEOSA-N -1 3 369.425 3.118 20 0 FGADHM C[C@@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)N(C)Cc1cccc(F)c1 ZINC000820555598 606326819 /nfs/dbraw/zinc/32/68/19/606326819.db2.gz NNZFSAZOVKGTSE-GFCCVEGCSA-N -1 3 371.441 3.145 20 0 FGADHM C[C@@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)N(C)Cc1cccc(F)c1 ZINC000820555598 606326821 /nfs/dbraw/zinc/32/68/21/606326821.db2.gz NNZFSAZOVKGTSE-GFCCVEGCSA-N -1 3 371.441 3.145 20 0 FGADHM c1[nH]c(-c2nc(-c3ccc(Oc4ccccc4)nc3)no2)cc1-c1nnn[n-]1 ZINC000823792001 606328488 /nfs/dbraw/zinc/32/84/88/606328488.db2.gz MINCTMIVNBCLNQ-UHFFFAOYSA-N -1 3 372.348 3.099 20 0 FGADHM c1[nH]c(-c2nc(-c3ccc(Oc4ccccc4)nc3)no2)cc1-c1nn[n-]n1 ZINC000823792001 606328490 /nfs/dbraw/zinc/32/84/90/606328490.db2.gz MINCTMIVNBCLNQ-UHFFFAOYSA-N -1 3 372.348 3.099 20 0 FGADHM COc1ccccc1C1(C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000821883650 606343372 /nfs/dbraw/zinc/34/33/72/606343372.db2.gz ZAVMEHIYSUDRCC-CYBMUJFWSA-N -1 3 364.405 3.211 20 0 FGADHM COc1ccccc1C1(C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000821883650 606343374 /nfs/dbraw/zinc/34/33/74/606343374.db2.gz ZAVMEHIYSUDRCC-CYBMUJFWSA-N -1 3 364.405 3.211 20 0 FGADHM Cc1c(C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cnn1C(C)(C)C ZINC000822020854 606345004 /nfs/dbraw/zinc/34/50/04/606345004.db2.gz LHFPDLYUBOORFE-GFCCVEGCSA-N -1 3 354.414 3.045 20 0 FGADHM Cc1c(C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cnn1C(C)(C)C ZINC000822020854 606345006 /nfs/dbraw/zinc/34/50/06/606345006.db2.gz LHFPDLYUBOORFE-GFCCVEGCSA-N -1 3 354.414 3.045 20 0 FGADHM C[C@@H](OC(=O)Cc1ccccc1OC(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000820500383 606345567 /nfs/dbraw/zinc/34/55/67/606345567.db2.gz FBFUPWWMGFSARP-LLVKDONJSA-N -1 3 374.347 3.315 20 0 FGADHM C[C@@H](OC(=O)Cc1ccccc1OC(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000820500383 606345568 /nfs/dbraw/zinc/34/55/68/606345568.db2.gz FBFUPWWMGFSARP-LLVKDONJSA-N -1 3 374.347 3.315 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)N1CC[C@H](Cc2ccccc2)C1 ZINC000823344045 606357089 /nfs/dbraw/zinc/35/70/89/606357089.db2.gz OSJAHGHUWLYOCB-CQSZACIVSA-N -1 3 366.400 3.102 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)N1CC[C@H](Cc2ccccc2)C1 ZINC000823344045 606357092 /nfs/dbraw/zinc/35/70/92/606357092.db2.gz OSJAHGHUWLYOCB-CQSZACIVSA-N -1 3 366.400 3.102 20 0 FGADHM C[C@H]1CC(C)(C)CC[C@H]1NC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820650264 606383643 /nfs/dbraw/zinc/38/36/43/606383643.db2.gz SVNUXEIXVVRHKT-XJKSGUPXSA-N -1 3 356.474 3.223 20 0 FGADHM C[C@H]1CC(C)(C)CC[C@H]1NC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820650264 606383645 /nfs/dbraw/zinc/38/36/45/606383645.db2.gz SVNUXEIXVVRHKT-XJKSGUPXSA-N -1 3 356.474 3.223 20 0 FGADHM C[C@H]1CC(C)(C)CC[C@H]1NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000820650237 606383971 /nfs/dbraw/zinc/38/39/71/606383971.db2.gz SEPPFPQVIOULKN-XHDPSFHLSA-N -1 3 360.437 3.020 20 0 FGADHM C[C@H]1CC(C)(C)CC[C@H]1NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000820650237 606383972 /nfs/dbraw/zinc/38/39/72/606383972.db2.gz SEPPFPQVIOULKN-XHDPSFHLSA-N -1 3 360.437 3.020 20 0 FGADHM C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000820650236 606384247 /nfs/dbraw/zinc/38/42/47/606384247.db2.gz SEPPFPQVIOULKN-NHYWBVRUSA-N -1 3 360.437 3.020 20 0 FGADHM C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000820650236 606384249 /nfs/dbraw/zinc/38/42/49/606384249.db2.gz SEPPFPQVIOULKN-NHYWBVRUSA-N -1 3 360.437 3.020 20 0 FGADHM CCCCO[C@H]1C[C@H](NC(=S)Nc2ccccc2-c2nnn[n-]2)C1(C)C ZINC000821072968 606391974 /nfs/dbraw/zinc/39/19/74/606391974.db2.gz XDVMXZPSJBWLHU-GJZGRUSLSA-N -1 3 374.514 3.137 20 0 FGADHM CCCCO[C@H]1C[C@H](NC(=S)Nc2ccccc2-c2nn[n-]n2)C1(C)C ZINC000821072968 606391975 /nfs/dbraw/zinc/39/19/75/606391975.db2.gz XDVMXZPSJBWLHU-GJZGRUSLSA-N -1 3 374.514 3.137 20 0 FGADHM O=C(OC1(C2CC2)CC1)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000823391717 606411758 /nfs/dbraw/zinc/41/17/58/606411758.db2.gz CDJXJLSLOKWFTA-UHFFFAOYSA-N -1 3 363.377 3.153 20 0 FGADHM O=C(OC1(C2CC2)CC1)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000823391717 606411760 /nfs/dbraw/zinc/41/17/60/606411760.db2.gz CDJXJLSLOKWFTA-UHFFFAOYSA-N -1 3 363.377 3.153 20 0 FGADHM C[C@H]1CN(c2c(-c3nnn[n-]3)cnc3ccc(OC(F)F)cc32)C[C@H]1C ZINC000820766187 606417961 /nfs/dbraw/zinc/41/79/61/606417961.db2.gz AKHKIXMGVQDSFB-AOOOYVTPSA-N -1 3 360.368 3.109 20 0 FGADHM C[C@H]1CN(c2c(-c3nn[n-]n3)cnc3ccc(OC(F)F)cc32)C[C@H]1C ZINC000820766187 606417963 /nfs/dbraw/zinc/41/79/63/606417963.db2.gz AKHKIXMGVQDSFB-AOOOYVTPSA-N -1 3 360.368 3.109 20 0 FGADHM C[C@H](Nc1ncccc1-c1nnn[n-]1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000820460810 606419353 /nfs/dbraw/zinc/41/93/53/606419353.db2.gz CBTNZQSGZVSODE-ISVAXAHUSA-N -1 3 365.224 3.103 20 0 FGADHM C[C@H](Nc1ncccc1-c1nn[n-]n1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000820460810 606419355 /nfs/dbraw/zinc/41/93/55/606419355.db2.gz CBTNZQSGZVSODE-ISVAXAHUSA-N -1 3 365.224 3.103 20 0 FGADHM C[C@H](NCc1ccc(-c2nnn[n-]2)s1)c1nc(C2CCCCC2)no1 ZINC000820432272 606425131 /nfs/dbraw/zinc/42/51/31/606425131.db2.gz NLVINYCIFFWTAJ-JTQLQIEISA-N -1 3 359.459 3.210 20 0 FGADHM C[C@H]1CN(C(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)C[C@@H]1C ZINC000820743022 606433262 /nfs/dbraw/zinc/43/32/62/606433262.db2.gz PKGKOSBKXVHBHM-KBPBESRZSA-N -1 3 363.421 3.387 20 0 FGADHM C[C@H]1CN(C(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)C[C@@H]1C ZINC000820743022 606433263 /nfs/dbraw/zinc/43/32/63/606433263.db2.gz PKGKOSBKXVHBHM-KBPBESRZSA-N -1 3 363.421 3.387 20 0 FGADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000820455688 606455111 /nfs/dbraw/zinc/45/51/11/606455111.db2.gz LPBLDSCLULIESB-MRVPVSSYSA-N -1 3 355.789 3.275 20 0 FGADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000820455688 606455112 /nfs/dbraw/zinc/45/51/12/606455112.db2.gz LPBLDSCLULIESB-MRVPVSSYSA-N -1 3 355.789 3.275 20 0 FGADHM O=C(OCc1cnc(-c2ccccc2)s1)c1cc(-c2nnn[n-]2)cs1 ZINC000823440270 606466090 /nfs/dbraw/zinc/46/60/90/606466090.db2.gz KKXWRVMHHJHGLR-UHFFFAOYSA-N -1 3 369.431 3.409 20 0 FGADHM O=C(OCc1cnc(-c2ccccc2)s1)c1cc(-c2nn[n-]n2)cs1 ZINC000823440270 606466091 /nfs/dbraw/zinc/46/60/91/606466091.db2.gz KKXWRVMHHJHGLR-UHFFFAOYSA-N -1 3 369.431 3.409 20 0 FGADHM O=C(Nc1ccc(Br)cc1F)c1cc(-c2nnn[n-]2)cs1 ZINC000823323321 606477523 /nfs/dbraw/zinc/47/75/23/606477523.db2.gz KPRZFZVGXHIGMN-UHFFFAOYSA-N -1 3 368.191 3.082 20 0 FGADHM O=C(Nc1ccc(Br)cc1F)c1cc(-c2nn[n-]n2)cs1 ZINC000823323321 606477525 /nfs/dbraw/zinc/47/75/25/606477525.db2.gz KPRZFZVGXHIGMN-UHFFFAOYSA-N -1 3 368.191 3.082 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C1(Cc2ccccc2)CC1 ZINC000823303423 606479250 /nfs/dbraw/zinc/47/92/50/606479250.db2.gz IDRSNRFIHGYXAE-UHFFFAOYSA-N -1 3 353.813 3.482 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C1(Cc2ccccc2)CC1 ZINC000823303423 606479252 /nfs/dbraw/zinc/47/92/52/606479252.db2.gz IDRSNRFIHGYXAE-UHFFFAOYSA-N -1 3 353.813 3.482 20 0 FGADHM O=C(c1cc(-c2nnn[n-]2)cs1)N(Cc1ccco1)Cc1cccs1 ZINC000823467593 606481466 /nfs/dbraw/zinc/48/14/66/606481466.db2.gz YDOUIARJVRTSNW-UHFFFAOYSA-N -1 3 371.447 3.425 20 0 FGADHM O=C(c1cc(-c2nn[n-]n2)cs1)N(Cc1ccco1)Cc1cccs1 ZINC000823467593 606481467 /nfs/dbraw/zinc/48/14/67/606481467.db2.gz YDOUIARJVRTSNW-UHFFFAOYSA-N -1 3 371.447 3.425 20 0 FGADHM O=C(NC[C@H]1CCC[C@@H](C(F)(F)F)C1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000823175907 606482470 /nfs/dbraw/zinc/48/24/70/606482470.db2.gz OHWZOBHKHFQJAT-CMPLNLGQSA-N -1 3 368.363 3.357 20 0 FGADHM O=C(NC[C@H]1CCC[C@@H](C(F)(F)F)C1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000823175907 606482473 /nfs/dbraw/zinc/48/24/73/606482473.db2.gz OHWZOBHKHFQJAT-CMPLNLGQSA-N -1 3 368.363 3.357 20 0 FGADHM FC(F)Oc1cc(-c2nn[n-]n2)ccc1CN1CCC[C@H]1c1ccc[nH]1 ZINC000822732960 606484658 /nfs/dbraw/zinc/48/46/58/606484658.db2.gz PLSPDSKELSSENI-AWEZNQCLSA-N -1 3 360.368 3.133 20 0 FGADHM O=C(Nc1ccc(Cc2ccncc2)cc1)c1cc(-c2nnn[n-]2)cs1 ZINC000823323580 606487493 /nfs/dbraw/zinc/48/74/93/606487493.db2.gz URGUBKGHCUMLDP-UHFFFAOYSA-N -1 3 362.418 3.166 20 0 FGADHM O=C(Nc1ccc(Cc2ccncc2)cc1)c1cc(-c2nn[n-]n2)cs1 ZINC000823323580 606487494 /nfs/dbraw/zinc/48/74/94/606487494.db2.gz URGUBKGHCUMLDP-UHFFFAOYSA-N -1 3 362.418 3.166 20 0 FGADHM C[C@@H](NC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1ccc2c(c1)CCCC2 ZINC000820333459 606494763 /nfs/dbraw/zinc/49/47/63/606494763.db2.gz CJXYHEAZKSPJQQ-CQSZACIVSA-N -1 3 361.449 3.165 20 0 FGADHM C[C@@H](NC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1ccc2c(c1)CCCC2 ZINC000820333459 606494765 /nfs/dbraw/zinc/49/47/65/606494765.db2.gz CJXYHEAZKSPJQQ-CQSZACIVSA-N -1 3 361.449 3.165 20 0 FGADHM O=C(Nc1nc2c(s1)CCCCCC2)c1cc(-c2nnn[n-]2)cs1 ZINC000823380069 606498587 /nfs/dbraw/zinc/49/85/87/606498587.db2.gz OXSSSLFFPUBKHI-UHFFFAOYSA-N -1 3 360.468 3.296 20 0 FGADHM O=C(Nc1nc2c(s1)CCCCCC2)c1cc(-c2nn[n-]n2)cs1 ZINC000823380069 606498589 /nfs/dbraw/zinc/49/85/89/606498589.db2.gz OXSSSLFFPUBKHI-UHFFFAOYSA-N -1 3 360.468 3.296 20 0 FGADHM O=C(Nc1nnc(C2CCCCC2)s1)c1ccc(-c2nnn[n-]2)s1 ZINC000823382618 606499613 /nfs/dbraw/zinc/49/96/13/606499613.db2.gz AYQBYBWBXILCMA-UHFFFAOYSA-N -1 3 361.456 3.080 20 0 FGADHM O=C(c1cc(-c2nnn[n-]2)cs1)N1CCCC[C@@H]1Cc1ccc(F)cc1 ZINC000823472243 606508136 /nfs/dbraw/zinc/50/81/36/606508136.db2.gz FJVNGECNXFGQSK-OAHLLOKOSA-N -1 3 371.441 3.305 20 0 FGADHM O=C(c1cc(-c2nn[n-]n2)cs1)N1CCCC[C@@H]1Cc1ccc(F)cc1 ZINC000823472243 606508139 /nfs/dbraw/zinc/50/81/39/606508139.db2.gz FJVNGECNXFGQSK-OAHLLOKOSA-N -1 3 371.441 3.305 20 0 FGADHM O=C(N[C@H]1CCCC[C@@H]1Cc1ccccc1)c1cc(-c2nnn[n-]2)cs1 ZINC000823150303 606508184 /nfs/dbraw/zinc/50/81/84/606508184.db2.gz NTDDTQWEJXROIJ-ZBFHGGJFSA-N -1 3 367.478 3.460 20 0 FGADHM O=C(N[C@H]1CCCC[C@@H]1Cc1ccccc1)c1cc(-c2nn[n-]n2)cs1 ZINC000823150303 606508186 /nfs/dbraw/zinc/50/81/86/606508186.db2.gz NTDDTQWEJXROIJ-ZBFHGGJFSA-N -1 3 367.478 3.460 20 0 FGADHM CC(C)N(C)c1ccc(NC(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1F ZINC000820112510 606513060 /nfs/dbraw/zinc/51/30/60/606513060.db2.gz WHYYGXFNNHGOKL-UHFFFAOYSA-N -1 3 368.416 3.032 20 0 FGADHM CC(C)N(C)c1ccc(NC(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1F ZINC000820112510 606513062 /nfs/dbraw/zinc/51/30/62/606513062.db2.gz WHYYGXFNNHGOKL-UHFFFAOYSA-N -1 3 368.416 3.032 20 0 FGADHM O=C(Nc1ccccc1CC(F)(F)F)c1cc(-c2nnn[n-]2)cs1 ZINC000823372397 606519818 /nfs/dbraw/zinc/51/98/18/606519818.db2.gz BBMSUPYRDRWPLU-UHFFFAOYSA-N -1 3 353.329 3.285 20 0 FGADHM O=C(Nc1ccccc1CC(F)(F)F)c1cc(-c2nn[n-]n2)cs1 ZINC000823372397 606519820 /nfs/dbraw/zinc/51/98/20/606519820.db2.gz BBMSUPYRDRWPLU-UHFFFAOYSA-N -1 3 353.329 3.285 20 0 FGADHM C[C@@H](NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1F ZINC000820351681 606529124 /nfs/dbraw/zinc/52/91/24/606529124.db2.gz QULDXGMKZXSKQY-WDEREUQCSA-N -1 3 372.379 3.266 20 0 FGADHM C[C@@H](NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1F ZINC000820351681 606529125 /nfs/dbraw/zinc/52/91/25/606529125.db2.gz QULDXGMKZXSKQY-WDEREUQCSA-N -1 3 372.379 3.266 20 0 FGADHM CC[C@H](Oc1cccc(C)c1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000820938466 606539360 /nfs/dbraw/zinc/53/93/60/606539360.db2.gz JKFQHTMQEFYOPM-KRWDZBQOSA-N -1 3 351.410 3.280 20 0 FGADHM CC[C@H](Oc1cccc(C)c1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000820938466 606539362 /nfs/dbraw/zinc/53/93/62/606539362.db2.gz JKFQHTMQEFYOPM-KRWDZBQOSA-N -1 3 351.410 3.280 20 0 FGADHM O=C(Nc1ccc2[nH]c(C3CCC3)nc2c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823356009 606543617 /nfs/dbraw/zinc/54/36/17/606543617.db2.gz IAYFBTSCYYOLJR-UHFFFAOYSA-N -1 3 365.422 3.324 20 0 FGADHM O=C(Nc1ccc2[nH]c(C3CCC3)nc2c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823356009 606543618 /nfs/dbraw/zinc/54/36/18/606543618.db2.gz IAYFBTSCYYOLJR-UHFFFAOYSA-N -1 3 365.422 3.324 20 0 FGADHM CC(C)(C)OCc1ccc(NC(=O)c2cc(-c3nnn[n-]3)cs2)cc1 ZINC000819951731 606548098 /nfs/dbraw/zinc/54/80/98/606548098.db2.gz VWFKKCUKFSDGSW-UHFFFAOYSA-N -1 3 357.439 3.496 20 0 FGADHM CC(C)(C)OCc1ccc(NC(=O)c2cc(-c3nn[n-]n3)cs2)cc1 ZINC000819951731 606548099 /nfs/dbraw/zinc/54/80/99/606548099.db2.gz VWFKKCUKFSDGSW-UHFFFAOYSA-N -1 3 357.439 3.496 20 0 FGADHM CCC(C)(C)CC(=O)OCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000820847401 606560732 /nfs/dbraw/zinc/56/07/32/606560732.db2.gz DLBXOAIXVCJVOL-UHFFFAOYSA-N -1 3 354.357 3.338 20 0 FGADHM CCC(C)(C)CC(=O)OCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000820847401 606560733 /nfs/dbraw/zinc/56/07/33/606560733.db2.gz DLBXOAIXVCJVOL-UHFFFAOYSA-N -1 3 354.357 3.338 20 0 FGADHM O=C(COC(=O)c1cc(-c2nnn[n-]2)cs1)c1cccc2ccccc21 ZINC000823397001 606563200 /nfs/dbraw/zinc/56/32/00/606563200.db2.gz QOAMTQQIFYPGAU-UHFFFAOYSA-N -1 3 364.386 3.121 20 0 FGADHM O=C(COC(=O)c1cc(-c2nn[n-]n2)cs1)c1cccc2ccccc21 ZINC000823397001 606563202 /nfs/dbraw/zinc/56/32/02/606563202.db2.gz QOAMTQQIFYPGAU-UHFFFAOYSA-N -1 3 364.386 3.121 20 0 FGADHM CCC1(NC(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CCC1 ZINC000820967640 606577483 /nfs/dbraw/zinc/57/74/83/606577483.db2.gz RMKCEALEYLXWGI-UHFFFAOYSA-N -1 3 354.336 3.340 20 0 FGADHM CCC1(NC(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CCC1 ZINC000820967640 606577484 /nfs/dbraw/zinc/57/74/84/606577484.db2.gz RMKCEALEYLXWGI-UHFFFAOYSA-N -1 3 354.336 3.340 20 0 FGADHM CC(C)CCOc1ccc(NC(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000820076689 606580179 /nfs/dbraw/zinc/58/01/79/606580179.db2.gz RJITVVGGYGKSSZ-UHFFFAOYSA-N -1 3 365.437 3.473 20 0 FGADHM CC(C)CCOc1ccc(NC(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000820076689 606580181 /nfs/dbraw/zinc/58/01/81/606580181.db2.gz RJITVVGGYGKSSZ-UHFFFAOYSA-N -1 3 365.437 3.473 20 0 FGADHM COc1cccc([C@H](C)CC(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000821860105 606602611 /nfs/dbraw/zinc/60/26/11/606602611.db2.gz XAQDNFDEMRFVCL-GFCCVEGCSA-N -1 3 369.400 3.171 20 0 FGADHM COc1cccc([C@H](C)CC(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000821860105 606602613 /nfs/dbraw/zinc/60/26/13/606602613.db2.gz XAQDNFDEMRFVCL-GFCCVEGCSA-N -1 3 369.400 3.171 20 0 FGADHM OCCC1(CNc2nc3ccccc3cc2-c2nnn[n-]2)CCCCC1 ZINC000823717234 606610302 /nfs/dbraw/zinc/61/03/02/606610302.db2.gz BFGHYUBASIPVPX-UHFFFAOYSA-N -1 3 352.442 3.160 20 0 FGADHM OCCC1(CNc2nc3ccccc3cc2-c2nn[n-]n2)CCCCC1 ZINC000823717234 606610303 /nfs/dbraw/zinc/61/03/03/606610303.db2.gz BFGHYUBASIPVPX-UHFFFAOYSA-N -1 3 352.442 3.160 20 0 FGADHM Fc1cccc(SCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)c1 ZINC000822790972 606627701 /nfs/dbraw/zinc/62/77/01/606627701.db2.gz BUKVNJVUSOPGCY-UHFFFAOYSA-N -1 3 354.370 3.348 20 0 FGADHM Fc1cccc(SCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)c1 ZINC000822790972 606627702 /nfs/dbraw/zinc/62/77/02/606627702.db2.gz BUKVNJVUSOPGCY-UHFFFAOYSA-N -1 3 354.370 3.348 20 0 FGADHM COc1ccc([C@@H](C)CC(=O)N(C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821777574 606628407 /nfs/dbraw/zinc/62/84/07/606628407.db2.gz IIMLWJZIHVONFO-ZDUSSCGKSA-N -1 3 351.410 3.032 20 0 FGADHM COc1ccc([C@@H](C)CC(=O)N(C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821777574 606628409 /nfs/dbraw/zinc/62/84/09/606628409.db2.gz IIMLWJZIHVONFO-ZDUSSCGKSA-N -1 3 351.410 3.032 20 0 FGADHM C[C@@H](Sc1ccncc1)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820555573 606628557 /nfs/dbraw/zinc/62/85/57/606628557.db2.gz MXVIPQMAUWAZGK-SECBINFHSA-N -1 3 360.830 3.034 20 0 FGADHM C[C@@H](Sc1ccncc1)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820555573 606628561 /nfs/dbraw/zinc/62/85/61/606628561.db2.gz MXVIPQMAUWAZGK-SECBINFHSA-N -1 3 360.830 3.034 20 0 FGADHM CC[C@@H](C)Oc1ccc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC)cc1 ZINC000820876421 606629779 /nfs/dbraw/zinc/62/97/79/606629779.db2.gz QCSTVNGLRYIFNZ-GFCCVEGCSA-N -1 3 367.409 3.305 20 0 FGADHM CC[C@@H](C)Oc1ccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC)cc1 ZINC000820876421 606629781 /nfs/dbraw/zinc/62/97/81/606629781.db2.gz QCSTVNGLRYIFNZ-GFCCVEGCSA-N -1 3 367.409 3.305 20 0 FGADHM O=C(c1ccc(-c2nnn[n-]2)cc1)N1CCCCC[C@@H]1[C@@H]1CCCCC1=O ZINC000823526050 606659606 /nfs/dbraw/zinc/65/96/06/606659606.db2.gz YFOPHRJJOSBCSF-DLBZAZTESA-N -1 3 367.453 3.011 20 0 FGADHM O=C(c1ccc(-c2nn[n-]n2)cc1)N1CCCCC[C@@H]1[C@@H]1CCCCC1=O ZINC000823526050 606659607 /nfs/dbraw/zinc/65/96/07/606659607.db2.gz YFOPHRJJOSBCSF-DLBZAZTESA-N -1 3 367.453 3.011 20 0 FGADHM C[C@H](NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1ccc(Cl)cc1 ZINC000820384402 606661732 /nfs/dbraw/zinc/66/17/32/606661732.db2.gz DFTJNMHFAFSEMK-QMMMGPOBSA-N -1 3 363.755 3.289 20 0 FGADHM C[C@H](NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccc(Cl)cc1 ZINC000820384402 606661733 /nfs/dbraw/zinc/66/17/33/606661733.db2.gz DFTJNMHFAFSEMK-QMMMGPOBSA-N -1 3 363.755 3.289 20 0 FGADHM CCN(CC)c1ccc(NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1 ZINC000821198751 606662729 /nfs/dbraw/zinc/66/27/29/606662729.db2.gz VEJCEBXRPSHXPO-UHFFFAOYSA-N -1 3 372.379 3.243 20 0 FGADHM CCN(CC)c1ccc(NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1 ZINC000821198751 606662730 /nfs/dbraw/zinc/66/27/30/606662730.db2.gz VEJCEBXRPSHXPO-UHFFFAOYSA-N -1 3 372.379 3.243 20 0 FGADHM CC[C@H](NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1ccc(C)cc1 ZINC000820920499 606666068 /nfs/dbraw/zinc/66/60/68/606666068.db2.gz QILAWVGGWOWDSI-HNNXBMFYSA-N -1 3 357.364 3.334 20 0 FGADHM CC[C@H](NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccc(C)cc1 ZINC000820920499 606666069 /nfs/dbraw/zinc/66/60/69/606666069.db2.gz QILAWVGGWOWDSI-HNNXBMFYSA-N -1 3 357.364 3.334 20 0 FGADHM CCN(C(=O)Cc1ccc(F)cc1F)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821153363 606670316 /nfs/dbraw/zinc/67/03/16/606670316.db2.gz ACOXNGVCRXVBFN-GFCCVEGCSA-N -1 3 371.391 3.297 20 0 FGADHM CCN(C(=O)Cc1ccc(F)cc1F)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821153363 606670317 /nfs/dbraw/zinc/67/03/17/606670317.db2.gz ACOXNGVCRXVBFN-GFCCVEGCSA-N -1 3 371.391 3.297 20 0 FGADHM CC(C)Oc1ccc(OC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1 ZINC000820177881 606679658 /nfs/dbraw/zinc/67/96/58/606679658.db2.gz CGOYGOBDCDBCIL-UHFFFAOYSA-N -1 3 360.320 3.151 20 0 FGADHM CC(C)Oc1ccc(OC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1 ZINC000820177881 606679659 /nfs/dbraw/zinc/67/96/59/606679659.db2.gz CGOYGOBDCDBCIL-UHFFFAOYSA-N -1 3 360.320 3.151 20 0 FGADHM Cc1ccc([C@@H]2CCCN2C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)o1 ZINC000822232975 606680375 /nfs/dbraw/zinc/68/03/75/606680375.db2.gz FQFFKMCIWSMHFG-ZDUSSCGKSA-N -1 3 359.336 3.024 20 0 FGADHM Cc1ccc([C@@H]2CCCN2C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)o1 ZINC000822232975 606680376 /nfs/dbraw/zinc/68/03/76/606680376.db2.gz FQFFKMCIWSMHFG-ZDUSSCGKSA-N -1 3 359.336 3.024 20 0 FGADHM CC(C)(C)c1ccc(O)c(NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c1 ZINC000819958004 606693979 /nfs/dbraw/zinc/69/39/79/606693979.db2.gz GFWCKJRYMBLODT-UHFFFAOYSA-N -1 3 373.363 3.400 20 0 FGADHM CC(C)(C)c1ccc(O)c(NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c1 ZINC000819958004 606693980 /nfs/dbraw/zinc/69/39/80/606693980.db2.gz GFWCKJRYMBLODT-UHFFFAOYSA-N -1 3 373.363 3.400 20 0 FGADHM Cc1cc(Cl)cc(NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c1O ZINC000822201908 606696876 /nfs/dbraw/zinc/69/68/76/606696876.db2.gz BAQULOWEXQDGJE-UHFFFAOYSA-N -1 3 365.727 3.065 20 0 FGADHM Cc1cc(Cl)cc(NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c1O ZINC000822201908 606696877 /nfs/dbraw/zinc/69/68/77/606696877.db2.gz BAQULOWEXQDGJE-UHFFFAOYSA-N -1 3 365.727 3.065 20 0 FGADHM CC(C)[C@@H]1CCN(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C1 ZINC000820039503 606697179 /nfs/dbraw/zinc/69/71/79/606697179.db2.gz YHARDUWIZRTISE-SNVBAGLBSA-N -1 3 368.363 3.395 20 0 FGADHM CC(C)[C@@H]1CCN(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C1 ZINC000820039503 606697180 /nfs/dbraw/zinc/69/71/80/606697180.db2.gz YHARDUWIZRTISE-SNVBAGLBSA-N -1 3 368.363 3.395 20 0 FGADHM COCCC1(CNc2cc(-c3nnn[n-]3)c3ccccc3n2)CCCC1 ZINC000821687329 606721577 /nfs/dbraw/zinc/72/15/77/606721577.db2.gz ZDYOCPHLOWPXAR-UHFFFAOYSA-N -1 3 352.442 3.424 20 0 FGADHM COCCC1(CNc2cc(-c3nn[n-]n3)c3ccccc3n2)CCCC1 ZINC000821687329 606721579 /nfs/dbraw/zinc/72/15/79/606721579.db2.gz ZDYOCPHLOWPXAR-UHFFFAOYSA-N -1 3 352.442 3.424 20 0 FGADHM CC[C@H](OC1CCCCC1)C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000820938314 606724409 /nfs/dbraw/zinc/72/44/09/606724409.db2.gz IKSWZLSPERFEBR-INIZCTEOSA-N -1 3 361.421 3.097 20 0 FGADHM CC[C@H](OC1CCCCC1)C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000820938314 606724410 /nfs/dbraw/zinc/72/44/10/606724410.db2.gz IKSWZLSPERFEBR-INIZCTEOSA-N -1 3 361.421 3.097 20 0 FGADHM C[C@H](COc1ccccc1)C(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820295121 606735780 /nfs/dbraw/zinc/73/57/80/606735780.db2.gz YPZAGLDWKIKPTJ-ZIAGYGMSSA-N -1 3 352.394 3.186 20 0 FGADHM C[C@H](COc1ccccc1)C(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820295121 606735781 /nfs/dbraw/zinc/73/57/81/606735781.db2.gz YPZAGLDWKIKPTJ-ZIAGYGMSSA-N -1 3 352.394 3.186 20 0 FGADHM CC(C)CC1CCN(C(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000820067197 606743496 /nfs/dbraw/zinc/74/34/96/606743496.db2.gz GBXPGFRVFRGJAP-CQSZACIVSA-N -1 3 356.474 3.395 20 0 FGADHM CC(C)CC1CCN(C(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000820067197 606743497 /nfs/dbraw/zinc/74/34/97/606743497.db2.gz GBXPGFRVFRGJAP-CQSZACIVSA-N -1 3 356.474 3.395 20 0 FGADHM CC(C)CC1CCN(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000820067462 606744422 /nfs/dbraw/zinc/74/44/22/606744422.db2.gz IUEYHBLJSNRYEC-CQSZACIVSA-N -1 3 356.474 3.395 20 0 FGADHM CC(C)CC1CCN(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000820067462 606744423 /nfs/dbraw/zinc/74/44/23/606744423.db2.gz IUEYHBLJSNRYEC-CQSZACIVSA-N -1 3 356.474 3.395 20 0 FGADHM Fc1cccc(N(Cc2cccs2)C[C@@H]2CCCO2)c1-c1nnn[n-]1 ZINC000822791339 606757740 /nfs/dbraw/zinc/75/77/40/606757740.db2.gz HMEOFBZKCWJIMQ-LBPRGKRZSA-N -1 3 359.430 3.253 20 0 FGADHM Fc1cccc(N(Cc2cccs2)C[C@@H]2CCCO2)c1-c1nn[n-]n1 ZINC000822791339 606757741 /nfs/dbraw/zinc/75/77/41/606757741.db2.gz HMEOFBZKCWJIMQ-LBPRGKRZSA-N -1 3 359.430 3.253 20 0 FGADHM CCCCCOc1cc(C)ccc1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000821056102 606767063 /nfs/dbraw/zinc/76/70/63/606767063.db2.gz KQEZLLHJJBLUDD-UHFFFAOYSA-N -1 3 368.441 3.002 20 0 FGADHM CCCCCOc1cc(C)ccc1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000821056102 606767064 /nfs/dbraw/zinc/76/70/64/606767064.db2.gz KQEZLLHJJBLUDD-UHFFFAOYSA-N -1 3 368.441 3.002 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)NC[C@H]2C[C@H]2C)cc1 ZINC000822144766 606786126 /nfs/dbraw/zinc/78/61/26/606786126.db2.gz NPBSBTAYBIQGSK-MLGOLLRUSA-N -1 3 363.421 3.353 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)NC[C@H]2C[C@H]2C)cc1 ZINC000822144766 606786127 /nfs/dbraw/zinc/78/61/27/606786127.db2.gz NPBSBTAYBIQGSK-MLGOLLRUSA-N -1 3 363.421 3.353 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)Nc2cnoc2)cc1 ZINC000822143765 606789753 /nfs/dbraw/zinc/78/97/53/606789753.db2.gz HLSVYBNDUNWXBW-UHFFFAOYSA-N -1 3 362.349 3.208 20 0 FGADHM C[C@@H](Sc1ccccn1)C(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820555324 606800720 /nfs/dbraw/zinc/80/07/20/606800720.db2.gz JFIDAZGBTOEPRQ-NWDGAFQWSA-N -1 3 355.423 3.047 20 0 FGADHM C[C@@H](Sc1ccccn1)C(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820555324 606800722 /nfs/dbraw/zinc/80/07/22/606800722.db2.gz JFIDAZGBTOEPRQ-NWDGAFQWSA-N -1 3 355.423 3.047 20 0 FGADHM CC(C)c1cccc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCC3)n1 ZINC000820192732 606808868 /nfs/dbraw/zinc/80/88/68/606808868.db2.gz WZKDSLKKDFXPTD-UHFFFAOYSA-N -1 3 354.439 3.188 20 0 FGADHM CC(C)c1cccc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)n1 ZINC000820192732 606808871 /nfs/dbraw/zinc/80/88/71/606808871.db2.gz WZKDSLKKDFXPTD-UHFFFAOYSA-N -1 3 354.439 3.188 20 0 FGADHM COc1ccccc1N1CC[C@@H](Nc2ccc(Cl)cc2-c2nnn[n-]2)C1 ZINC000821897716 606809673 /nfs/dbraw/zinc/80/96/73/606809673.db2.gz JYPBKJWOLXFPHV-CYBMUJFWSA-N -1 3 370.844 3.220 20 0 FGADHM COc1ccccc1N1CC[C@@H](Nc2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC000821897716 606809675 /nfs/dbraw/zinc/80/96/75/606809675.db2.gz JYPBKJWOLXFPHV-CYBMUJFWSA-N -1 3 370.844 3.220 20 0 FGADHM CCN(C(=O)C[C@H](C)c1ccncc1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821147858 606857072 /nfs/dbraw/zinc/85/70/72/606857072.db2.gz KGRXLHVLOWXOLR-GJZGRUSLSA-N -1 3 364.453 3.365 20 0 FGADHM CCN(C(=O)C[C@H](C)c1ccncc1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821147858 606857075 /nfs/dbraw/zinc/85/70/75/606857075.db2.gz KGRXLHVLOWXOLR-GJZGRUSLSA-N -1 3 364.453 3.365 20 0 FGADHM O[C@H](CSCCCOc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000823698262 606868099 /nfs/dbraw/zinc/86/80/99/606868099.db2.gz OXSAFAPZQAMZIU-QGZVFWFLSA-N -1 3 356.451 3.102 20 0 FGADHM O[C@H](CSCCCOc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000823698262 606868102 /nfs/dbraw/zinc/86/81/02/606868102.db2.gz OXSAFAPZQAMZIU-QGZVFWFLSA-N -1 3 356.451 3.102 20 0 FGADHM C[C@H]1CC[C@@H](C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)cc2)O1 ZINC000820675691 606871859 /nfs/dbraw/zinc/87/18/59/606871859.db2.gz KHIJKHVTZVPDHU-SJCJKPOMSA-N -1 3 365.393 3.165 20 0 FGADHM C[C@H]1CC[C@@H](C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)cc2)O1 ZINC000820675691 606871860 /nfs/dbraw/zinc/87/18/60/606871860.db2.gz KHIJKHVTZVPDHU-SJCJKPOMSA-N -1 3 365.393 3.165 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cc(C)cc(Cl)c1 ZINC000821413243 606872096 /nfs/dbraw/zinc/87/20/96/606872096.db2.gz YKDXIGUNKSBCNB-UHFFFAOYSA-N -1 3 357.801 3.480 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(C)cc(Cl)c1 ZINC000821413243 606872098 /nfs/dbraw/zinc/87/20/98/606872098.db2.gz YKDXIGUNKSBCNB-UHFFFAOYSA-N -1 3 357.801 3.480 20 0 FGADHM CC1(C)CCCC[C@H]1NC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000820596936 606874075 /nfs/dbraw/zinc/87/40/75/606874075.db2.gz VVNYMWDXFOMHFM-OAHLLOKOSA-N -1 3 359.499 3.185 20 0 FGADHM CC1(C)CCCC[C@H]1NC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000820596936 606874078 /nfs/dbraw/zinc/87/40/78/606874078.db2.gz VVNYMWDXFOMHFM-OAHLLOKOSA-N -1 3 359.499 3.185 20 0 FGADHM CO[C@@H](CNc1nc2c(cc1-c1nnn[n-]1)CCC2)c1ccccc1Cl ZINC000821678927 606881113 /nfs/dbraw/zinc/88/11/13/606881113.db2.gz UVUQNJDGLRVTBA-INIZCTEOSA-N -1 3 370.844 3.203 20 0 FGADHM CO[C@@H](CNc1nc2c(cc1-c1nn[n-]n1)CCC2)c1ccccc1Cl ZINC000821678927 606881115 /nfs/dbraw/zinc/88/11/15/606881115.db2.gz UVUQNJDGLRVTBA-INIZCTEOSA-N -1 3 370.844 3.203 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H]1COc2c1cccc2Cl ZINC000822218058 606906787 /nfs/dbraw/zinc/90/67/87/606906787.db2.gz WJZHWNSNMLUHSP-AWEZNQCLSA-N -1 3 370.800 3.084 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H]1COc2c1cccc2Cl ZINC000822218058 606906788 /nfs/dbraw/zinc/90/67/88/606906788.db2.gz WJZHWNSNMLUHSP-AWEZNQCLSA-N -1 3 370.800 3.084 20 0 FGADHM C[C@H]1CC[C@H](C(=O)Oc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)O1 ZINC000820684800 606924356 /nfs/dbraw/zinc/92/43/56/606924356.db2.gz SDXKUSNDSHRCGV-YVEFUNNKSA-N -1 3 366.377 3.132 20 0 FGADHM C[C@H]1CC[C@H](C(=O)Oc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)O1 ZINC000820684800 606924358 /nfs/dbraw/zinc/92/43/58/606924358.db2.gz SDXKUSNDSHRCGV-YVEFUNNKSA-N -1 3 366.377 3.132 20 0 FGADHM CCN(CC)C(=O)c1ccc(NCc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000821175444 606924933 /nfs/dbraw/zinc/92/49/33/606924933.db2.gz NHLNUQHWHFGCFF-UHFFFAOYSA-N -1 3 368.416 3.100 20 0 FGADHM CCN(CC)C(=O)c1ccc(NCc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000821175444 606924934 /nfs/dbraw/zinc/92/49/34/606924934.db2.gz NHLNUQHWHFGCFF-UHFFFAOYSA-N -1 3 368.416 3.100 20 0 FGADHM COc1cc(OC)c(NCc2ccc(F)c(-c3nnn[n-]3)c2)cc1Cl ZINC000821724123 606926251 /nfs/dbraw/zinc/92/62/51/606926251.db2.gz QPQAAGLVCGRMON-UHFFFAOYSA-N -1 3 363.780 3.289 20 0 FGADHM COc1cc(OC)c(NCc2ccc(F)c(-c3nn[n-]n3)c2)cc1Cl ZINC000821724123 606926253 /nfs/dbraw/zinc/92/62/53/606926253.db2.gz QPQAAGLVCGRMON-UHFFFAOYSA-N -1 3 363.780 3.289 20 0 FGADHM CC(C)c1csc(CNC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000820196848 606931509 /nfs/dbraw/zinc/93/15/09/606931509.db2.gz DOIMYDKDUGCDDX-NSHDSACASA-N -1 3 371.470 3.007 20 0 FGADHM CC(C)c1csc(CNC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000820196848 606931510 /nfs/dbraw/zinc/93/15/10/606931510.db2.gz DOIMYDKDUGCDDX-NSHDSACASA-N -1 3 371.470 3.007 20 0 FGADHM CCc1nnc(N2CC[C@H](c3ccccc3)[C@H]2C)c(-c2nnn[n-]2)c1CC ZINC000821523470 606943031 /nfs/dbraw/zinc/94/30/31/606943031.db2.gz WTWWULOLEXOXQE-CJNGLKHVSA-N -1 3 363.469 3.164 20 0 FGADHM CCc1nnc(N2CC[C@H](c3ccccc3)[C@H]2C)c(-c2nn[n-]n2)c1CC ZINC000821523470 606943033 /nfs/dbraw/zinc/94/30/33/606943033.db2.gz WTWWULOLEXOXQE-CJNGLKHVSA-N -1 3 363.469 3.164 20 0 FGADHM COc1ccc([C@@H](C)C(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)cc1 ZINC000821777577 606961746 /nfs/dbraw/zinc/96/17/46/606961746.db2.gz IJRWZNAOKFNVJR-LLVKDONJSA-N -1 3 371.828 3.295 20 0 FGADHM COc1ccc([C@@H](C)C(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)cc1 ZINC000821777577 606961747 /nfs/dbraw/zinc/96/17/47/606961747.db2.gz IJRWZNAOKFNVJR-LLVKDONJSA-N -1 3 371.828 3.295 20 0 FGADHM Fc1ccc(CN(Cc2ccco2)Cc2ccco2)cc1-c1nnn[n-]1 ZINC000822766239 606961830 /nfs/dbraw/zinc/96/18/30/606961830.db2.gz GMTRQPQHMCPHFW-UHFFFAOYSA-N -1 3 353.357 3.394 20 0 FGADHM Fc1ccc(CN(Cc2ccco2)Cc2ccco2)cc1-c1nn[n-]n1 ZINC000822766239 606961831 /nfs/dbraw/zinc/96/18/31/606961831.db2.gz GMTRQPQHMCPHFW-UHFFFAOYSA-N -1 3 353.357 3.394 20 0 FGADHM C[C@@H]1CCC[C@H](OCC(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)C1 ZINC000820696715 606962076 /nfs/dbraw/zinc/96/20/76/606962076.db2.gz BLHIXHOQVQNOMD-YPMHNXCESA-N -1 3 363.849 3.078 20 0 FGADHM C[C@@H]1CCC[C@H](OCC(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)C1 ZINC000820696715 606962078 /nfs/dbraw/zinc/96/20/78/606962078.db2.gz BLHIXHOQVQNOMD-YPMHNXCESA-N -1 3 363.849 3.078 20 0 FGADHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1cccc(Cl)c1 ZINC000820001029 606976592 /nfs/dbraw/zinc/97/65/92/606976592.db2.gz BKWKYFKXEGINEV-UHFFFAOYSA-N -1 3 357.801 3.316 20 0 FGADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cccc(Cl)c1 ZINC000820001029 606976594 /nfs/dbraw/zinc/97/65/94/606976594.db2.gz BKWKYFKXEGINEV-UHFFFAOYSA-N -1 3 357.801 3.316 20 0 FGADHM CCS[C@H](C)c1noc(CSCc2cccc(-c3nnn[n-]3)c2)n1 ZINC000821446699 606988919 /nfs/dbraw/zinc/98/89/19/606988919.db2.gz CSTMXLHDXCKITN-SNVBAGLBSA-N -1 3 362.484 3.497 20 0 FGADHM CCS[C@H](C)c1noc(CSCc2cccc(-c3nn[n-]n3)c2)n1 ZINC000821446699 606988920 /nfs/dbraw/zinc/98/89/20/606988920.db2.gz CSTMXLHDXCKITN-SNVBAGLBSA-N -1 3 362.484 3.497 20 0 FGADHM Cc1ccc(C)c(OCCC(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000822232225 606990546 /nfs/dbraw/zinc/99/05/46/606990546.db2.gz XVJQHLLVBZOQAK-UHFFFAOYSA-N -1 3 370.384 3.135 20 0 FGADHM Cc1ccc(C)c(OCCC(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000822232225 606990547 /nfs/dbraw/zinc/99/05/47/606990547.db2.gz XVJQHLLVBZOQAK-UHFFFAOYSA-N -1 3 370.384 3.135 20 0 FGADHM C[C@@H](Cc1cccc(F)c1)C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820299858 606996674 /nfs/dbraw/zinc/99/66/74/606996674.db2.gz LPGNPFTYOQZMKU-NSHDSACASA-N -1 3 358.348 3.067 20 0 FGADHM C[C@@H](Cc1cccc(F)c1)C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820299858 606996676 /nfs/dbraw/zinc/99/66/76/606996676.db2.gz LPGNPFTYOQZMKU-NSHDSACASA-N -1 3 358.348 3.067 20 0 FGADHM C[C@H](CCc1ccccc1F)C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820254666 607001378 /nfs/dbraw/zinc/00/13/78/607001378.db2.gz UDVAYTCCEGUFPX-GFCCVEGCSA-N -1 3 372.375 3.457 20 0 FGADHM C[C@H](CCc1ccccc1F)C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820254666 607001380 /nfs/dbraw/zinc/00/13/80/607001380.db2.gz UDVAYTCCEGUFPX-GFCCVEGCSA-N -1 3 372.375 3.457 20 0 FGADHM Cc1cn(CC(=O)Nc2cccc(Oc3ccccc3)c2)cc1-c1nnn[n-]1 ZINC000822384100 607021581 /nfs/dbraw/zinc/02/15/81/607021581.db2.gz HXPULLGECSTZRK-UHFFFAOYSA-N -1 3 374.404 3.408 20 0 FGADHM Cc1cn(CC(=O)Nc2cccc(Oc3ccccc3)c2)cc1-c1nn[n-]n1 ZINC000822384100 607021582 /nfs/dbraw/zinc/02/15/82/607021582.db2.gz HXPULLGECSTZRK-UHFFFAOYSA-N -1 3 374.404 3.408 20 0 FGADHM C[C@@H]1CC[C@@H](CC(=O)NCCSCc2ccccc2-c2nnn[n-]2)C1 ZINC000820684881 607022988 /nfs/dbraw/zinc/02/29/88/607022988.db2.gz SQDPGOQLZCHDRN-ZIAGYGMSSA-N -1 3 359.499 3.042 20 0 FGADHM C[C@@H]1CC[C@@H](CC(=O)NCCSCc2ccccc2-c2nn[n-]n2)C1 ZINC000820684881 607022990 /nfs/dbraw/zinc/02/29/90/607022990.db2.gz SQDPGOQLZCHDRN-ZIAGYGMSSA-N -1 3 359.499 3.042 20 0 FGADHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2N1CCOC2(CCCC2)C1 ZINC000822204070 607031129 /nfs/dbraw/zinc/03/11/29/607031129.db2.gz CFAVIVFZZNXGRM-UHFFFAOYSA-N -1 3 368.416 3.012 20 0 FGADHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2N1CCOC2(CCCC2)C1 ZINC000822204070 607031131 /nfs/dbraw/zinc/03/11/31/607031131.db2.gz CFAVIVFZZNXGRM-UHFFFAOYSA-N -1 3 368.416 3.012 20 0 FGADHM Cc1nc(COc2ccc(Br)cc2-c2nnn[n-]2)sc1C ZINC000822444343 607032274 /nfs/dbraw/zinc/03/22/74/607032274.db2.gz MSULDRDEGVPPHZ-UHFFFAOYSA-N -1 3 366.244 3.282 20 0 FGADHM Cc1nc(COc2ccc(Br)cc2-c2nn[n-]n2)sc1C ZINC000822444343 607032276 /nfs/dbraw/zinc/03/22/76/607032276.db2.gz MSULDRDEGVPPHZ-UHFFFAOYSA-N -1 3 366.244 3.282 20 0 FGADHM C[C@@H]1CC[C@H](CC(=O)N2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)C1 ZINC000820683866 607036170 /nfs/dbraw/zinc/03/61/70/607036170.db2.gz INUSXRHZLJNEHV-CABCVRRESA-N -1 3 369.469 3.063 20 0 FGADHM C[C@@H]1CC[C@H](CC(=O)N2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)C1 ZINC000820683866 607036173 /nfs/dbraw/zinc/03/61/73/607036173.db2.gz INUSXRHZLJNEHV-CABCVRRESA-N -1 3 369.469 3.063 20 0 FGADHM CCC(CC)CC(=O)Nc1c(C)c(C)nn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000820893344 607039418 /nfs/dbraw/zinc/03/94/18/607039418.db2.gz NZPILBYVPJCSEC-UHFFFAOYSA-N -1 3 367.457 3.434 20 0 FGADHM COc1cccc([C@@H]2CN(c3ccc(Cl)cc3-c3nnn[n-]3)CCO2)c1 ZINC000821862772 607039693 /nfs/dbraw/zinc/03/96/93/607039693.db2.gz FBUXULYVAKLUCI-KRWDZBQOSA-N -1 3 371.828 3.107 20 0 FGADHM COc1cccc([C@@H]2CN(c3ccc(Cl)cc3-c3nn[n-]n3)CCO2)c1 ZINC000821862772 607039694 /nfs/dbraw/zinc/03/96/94/607039694.db2.gz FBUXULYVAKLUCI-KRWDZBQOSA-N -1 3 371.828 3.107 20 0 FGADHM Fc1cc(F)c2c(c1)CN(c1nc3ccccc3cc1-c1nnn[n-]1)CC2 ZINC000822753106 607040657 /nfs/dbraw/zinc/04/06/57/607040657.db2.gz DHMAYEAWVOYTQF-UHFFFAOYSA-N -1 3 364.359 3.256 20 0 FGADHM Fc1cc(F)c2c(c1)CN(c1nc3ccccc3cc1-c1nn[n-]n1)CC2 ZINC000822753106 607040659 /nfs/dbraw/zinc/04/06/59/607040659.db2.gz DHMAYEAWVOYTQF-UHFFFAOYSA-N -1 3 364.359 3.256 20 0 FGADHM Cc1c2cc(C)ccc2[nH]c1C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822270968 607049875 /nfs/dbraw/zinc/04/98/75/607049875.db2.gz GHTPDXKOECALCA-UHFFFAOYSA-N -1 3 364.384 3.034 20 0 FGADHM Cc1c2cc(C)ccc2[nH]c1C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822270968 607049876 /nfs/dbraw/zinc/04/98/76/607049876.db2.gz GHTPDXKOECALCA-UHFFFAOYSA-N -1 3 364.384 3.034 20 0 FGADHM CC1(C)C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)cc2)c2ccc(F)cc2O1 ZINC000820589712 607054467 /nfs/dbraw/zinc/05/44/67/607054467.db2.gz LCZWXUWFBLDZNJ-OAHLLOKOSA-N -1 3 367.384 3.038 20 0 FGADHM CC1(C)C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)cc2)c2ccc(F)cc2O1 ZINC000820589712 607054468 /nfs/dbraw/zinc/05/44/68/607054468.db2.gz LCZWXUWFBLDZNJ-OAHLLOKOSA-N -1 3 367.384 3.038 20 0 FGADHM C[C@H](NCc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1OC(F)F ZINC000820427623 607057037 /nfs/dbraw/zinc/05/70/37/607057037.db2.gz ULDXKVMJLPUJHA-JTQLQIEISA-N -1 3 363.343 3.458 20 0 FGADHM CCCC1(CNC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)CCC1 ZINC000821027697 607062197 /nfs/dbraw/zinc/06/21/97/607062197.db2.gz QQZUKSMAODPXKH-UHFFFAOYSA-N -1 3 357.458 3.111 20 0 FGADHM CCCC1(CNC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)CCC1 ZINC000821027697 607062200 /nfs/dbraw/zinc/06/22/00/607062200.db2.gz QQZUKSMAODPXKH-UHFFFAOYSA-N -1 3 357.458 3.111 20 0 FGADHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)c1c(F)cccc1Cl ZINC000823413207 607074622 /nfs/dbraw/zinc/07/46/22/607074622.db2.gz CIVNFUSTNDXKJU-UHFFFAOYSA-N -1 3 350.712 3.155 20 0 FGADHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)c1c(F)cccc1Cl ZINC000823413207 607074624 /nfs/dbraw/zinc/07/46/24/607074624.db2.gz CIVNFUSTNDXKJU-UHFFFAOYSA-N -1 3 350.712 3.155 20 0 FGADHM C[C@H](OC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1)c1cccc(F)c1 ZINC000820481745 607082723 /nfs/dbraw/zinc/08/27/23/607082723.db2.gz ZPDATIXUBGQBPA-LBPRGKRZSA-N -1 3 370.384 3.468 20 0 FGADHM C[C@H](OC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1)c1cccc(F)c1 ZINC000820481745 607082725 /nfs/dbraw/zinc/08/27/25/607082725.db2.gz ZPDATIXUBGQBPA-LBPRGKRZSA-N -1 3 370.384 3.468 20 0 FGADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc2c(cccc2F)[nH]1 ZINC000821304464 607102113 /nfs/dbraw/zinc/10/21/13/607102113.db2.gz GKHRZKLNAULLQJ-UHFFFAOYSA-N -1 3 365.372 3.171 20 0 FGADHM Fc1cccc(N2CCC3(CC2)OCc2ccccc23)c1-c1nnn[n-]1 ZINC000822792502 607119985 /nfs/dbraw/zinc/11/99/85/607119985.db2.gz YWYCCTNECZCBEQ-UHFFFAOYSA-N -1 3 351.385 3.032 20 0 FGADHM Fc1cccc(N2CCC3(CC2)OCc2ccccc23)c1-c1nn[n-]n1 ZINC000822792502 607119987 /nfs/dbraw/zinc/11/99/87/607119987.db2.gz YWYCCTNECZCBEQ-UHFFFAOYSA-N -1 3 351.385 3.032 20 0 FGADHM CCN(C(=O)CNc1ccc(-c2nn[n-]n2)cc1Cl)C1CCCCC1 ZINC000821153839 607123785 /nfs/dbraw/zinc/12/37/85/607123785.db2.gz FAHPPFGSEUPUDX-UHFFFAOYSA-N -1 3 362.865 3.113 20 0 FGADHM Cc1cccc([C@H](O)CNc2ccc(C(F)(F)F)cc2-c2nnn[n-]2)c1 ZINC000822289572 607127940 /nfs/dbraw/zinc/12/79/40/607127940.db2.gz ZUNKWAZVBCSMOG-OAHLLOKOSA-N -1 3 363.343 3.339 20 0 FGADHM Cc1cccc([C@H](O)CNc2ccc(C(F)(F)F)cc2-c2nn[n-]n2)c1 ZINC000822289572 607127942 /nfs/dbraw/zinc/12/79/42/607127942.db2.gz ZUNKWAZVBCSMOG-OAHLLOKOSA-N -1 3 363.343 3.339 20 0 FGADHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2N(C)CCOC(C)(C)C ZINC000822203513 607130053 /nfs/dbraw/zinc/13/00/53/607130053.db2.gz XOFNVHVBWQVVLL-UHFFFAOYSA-N -1 3 358.421 3.114 20 0 FGADHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2N(C)CCOC(C)(C)C ZINC000822203513 607130055 /nfs/dbraw/zinc/13/00/55/607130055.db2.gz XOFNVHVBWQVVLL-UHFFFAOYSA-N -1 3 358.421 3.114 20 0 FGADHM c1ccc2c(c1)nc(N[C@H]1CCOC3(CCCC3)C1)cc2-c1nnn[n-]1 ZINC000823791656 607130722 /nfs/dbraw/zinc/13/07/22/607130722.db2.gz HFDXMFMWZPWGIA-ZDUSSCGKSA-N -1 3 350.426 3.319 20 0 FGADHM c1ccc2c(c1)nc(N[C@H]1CCOC3(CCCC3)C1)cc2-c1nn[n-]n1 ZINC000823791656 607130724 /nfs/dbraw/zinc/13/07/24/607130724.db2.gz HFDXMFMWZPWGIA-ZDUSSCGKSA-N -1 3 350.426 3.319 20 0 FGADHM Cc1cc(C(=O)OCc2cc(-c3nnn[n-]3)ccc2F)c(Cl)cc1F ZINC000822183552 607131724 /nfs/dbraw/zinc/13/17/24/607131724.db2.gz HORZNOWQHXSRKF-UHFFFAOYSA-N -1 3 364.739 3.464 20 0 FGADHM Cc1cc(C(=O)OCc2cc(-c3nn[n-]n3)ccc2F)c(Cl)cc1F ZINC000822183552 607131726 /nfs/dbraw/zinc/13/17/26/607131726.db2.gz HORZNOWQHXSRKF-UHFFFAOYSA-N -1 3 364.739 3.464 20 0 FGADHM O=C(CSCc1cc2ccccc2o1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000823060773 607133587 /nfs/dbraw/zinc/13/35/87/607133587.db2.gz LLYSNTPMHJEIJZ-UHFFFAOYSA-N -1 3 365.418 3.485 20 0 FGADHM O=C(CSCc1cc2ccccc2o1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000823060773 607133590 /nfs/dbraw/zinc/13/35/90/607133590.db2.gz LLYSNTPMHJEIJZ-UHFFFAOYSA-N -1 3 365.418 3.485 20 0 FGADHM CCCn1c(C)cc(C(=O)COc2ccc(-c3nnn[n-]3)cc2F)c1C ZINC000821142420 607137749 /nfs/dbraw/zinc/13/77/49/607137749.db2.gz JAOHVOFPEJYCPW-UHFFFAOYSA-N -1 3 357.389 3.096 20 0 FGADHM CCCn1c(C)cc(C(=O)COc2ccc(-c3nn[n-]n3)cc2F)c1C ZINC000821142420 607137751 /nfs/dbraw/zinc/13/77/51/607137751.db2.gz JAOHVOFPEJYCPW-UHFFFAOYSA-N -1 3 357.389 3.096 20 0 FGADHM Cc1sc(NC(=O)COc2ccc(-c3nnn[n-]3)cc2F)c(C)c1C ZINC000822563933 607139908 /nfs/dbraw/zinc/13/99/08/607139908.db2.gz QLFCUPAMDACTSC-UHFFFAOYSA-N -1 3 361.402 3.010 20 0 FGADHM Cc1sc(NC(=O)COc2ccc(-c3nn[n-]n3)cc2F)c(C)c1C ZINC000822563933 607139909 /nfs/dbraw/zinc/13/99/09/607139909.db2.gz QLFCUPAMDACTSC-UHFFFAOYSA-N -1 3 361.402 3.010 20 0 FGADHM CCO[C@H](CC(=O)N(CC)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000821351280 607153698 /nfs/dbraw/zinc/15/36/98/607153698.db2.gz OIIUJLAPIPBIDA-WMLDXEAASA-N -1 3 359.474 3.227 20 0 FGADHM CCO[C@H](CC(=O)N(CC)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000821351280 607153699 /nfs/dbraw/zinc/15/36/99/607153699.db2.gz OIIUJLAPIPBIDA-WMLDXEAASA-N -1 3 359.474 3.227 20 0 FGADHM Cc1cc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2OC(F)F)oc1C ZINC000822182870 607157039 /nfs/dbraw/zinc/15/70/39/607157039.db2.gz BPIAXEJCYWAPOO-UHFFFAOYSA-N -1 3 364.308 3.035 20 0 FGADHM Cc1cc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2OC(F)F)oc1C ZINC000822182870 607157040 /nfs/dbraw/zinc/15/70/40/607157040.db2.gz BPIAXEJCYWAPOO-UHFFFAOYSA-N -1 3 364.308 3.035 20 0 FGADHM CC(C)CC[C@H]1CCCN1C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000820072512 607163933 /nfs/dbraw/zinc/16/39/33/607163933.db2.gz IGHOBXYSUQUHLP-OAHLLOKOSA-N -1 3 359.499 3.386 20 0 FGADHM CC(C)CC[C@H]1CCCN1C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000820072512 607163935 /nfs/dbraw/zinc/16/39/35/607163935.db2.gz IGHOBXYSUQUHLP-OAHLLOKOSA-N -1 3 359.499 3.386 20 0 FGADHM CCC[C@H](C)[C@@H]1CCCN1C(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000821016599 607164422 /nfs/dbraw/zinc/16/44/22/607164422.db2.gz XTDGTHRDXCCWRE-ZQIUZPCESA-N -1 3 357.458 3.061 20 0 FGADHM CCC[C@H](C)[C@@H]1CCCN1C(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000821016597 607164597 /nfs/dbraw/zinc/16/45/97/607164597.db2.gz XTDGTHRDXCCWRE-VBQJREDUSA-N -1 3 357.458 3.061 20 0 FGADHM Cc1cc(Cl)ccc1NCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000822202243 607165934 /nfs/dbraw/zinc/16/59/34/607165934.db2.gz SBMIHQRPMIJQNX-UHFFFAOYSA-N -1 3 367.800 3.491 20 0 FGADHM Cc1cc(Cl)ccc1NCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000822202243 607165935 /nfs/dbraw/zinc/16/59/35/607165935.db2.gz SBMIHQRPMIJQNX-UHFFFAOYSA-N -1 3 367.800 3.491 20 0 FGADHM Cc1cc(C)n(-c2ccc(COc3ccc(-c4nnn[n-]4)cc3F)cc2)n1 ZINC000822197723 607170812 /nfs/dbraw/zinc/17/08/12/607170812.db2.gz MRCIAVHSKRRJBM-UHFFFAOYSA-N -1 3 364.384 3.387 20 0 FGADHM Cc1cc(C)n(-c2ccc(COc3ccc(-c4nn[n-]n4)cc3F)cc2)n1 ZINC000822197723 607170813 /nfs/dbraw/zinc/17/08/13/607170813.db2.gz MRCIAVHSKRRJBM-UHFFFAOYSA-N -1 3 364.384 3.387 20 0 FGADHM CCOc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc1OC ZINC000821417058 607189201 /nfs/dbraw/zinc/18/92/01/607189201.db2.gz HSVULIQIEGOPOU-UHFFFAOYSA-N -1 3 373.800 3.180 20 0 FGADHM CCOc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc1OC ZINC000821417058 607189202 /nfs/dbraw/zinc/18/92/02/607189202.db2.gz HSVULIQIEGOPOU-UHFFFAOYSA-N -1 3 373.800 3.180 20 0 FGADHM O=C(NCc1cccc(Cl)c1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823257186 607195993 /nfs/dbraw/zinc/19/59/93/607195993.db2.gz DBXZGYHXKYHEJW-UHFFFAOYSA-N -1 3 363.208 3.495 20 0 FGADHM O=C(NCc1cccc(Cl)c1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823257186 607195994 /nfs/dbraw/zinc/19/59/94/607195994.db2.gz DBXZGYHXKYHEJW-UHFFFAOYSA-N -1 3 363.208 3.495 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N1CCC[C@@H]1c1cccnc1 ZINC000823314580 607198707 /nfs/dbraw/zinc/19/87/07/607198707.db2.gz RAJFQVICHKGFAA-OAHLLOKOSA-N -1 3 369.816 3.284 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N1CCC[C@@H]1c1cccnc1 ZINC000823314580 607198708 /nfs/dbraw/zinc/19/87/08/607198708.db2.gz RAJFQVICHKGFAA-OAHLLOKOSA-N -1 3 369.816 3.284 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N(Cc1ccccn1)C1CC1 ZINC000823314852 607203893 /nfs/dbraw/zinc/20/38/93/607203893.db2.gz SMQDVJLRVWRXCO-UHFFFAOYSA-N -1 3 369.816 3.112 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N(Cc1ccccn1)C1CC1 ZINC000823314852 607203894 /nfs/dbraw/zinc/20/38/94/607203894.db2.gz SMQDVJLRVWRXCO-UHFFFAOYSA-N -1 3 369.816 3.112 20 0 FGADHM Cc1cc(Oc2ccc(NC(=O)c3cc(-c4nnn[n-]4)cs3)cc2)n[nH]1 ZINC000822211519 607217123 /nfs/dbraw/zinc/21/71/23/607217123.db2.gz CDRJDKJZDIPPSQ-UHFFFAOYSA-N -1 3 367.394 3.004 20 0 FGADHM Cc1cc(Oc2ccc(NC(=O)c3cc(-c4nn[n-]n4)cs3)cc2)n[nH]1 ZINC000822211519 607217124 /nfs/dbraw/zinc/21/71/24/607217124.db2.gz CDRJDKJZDIPPSQ-UHFFFAOYSA-N -1 3 367.394 3.004 20 0 FGADHM C[C@H](OC(=O)c1ccccc1Cn1cccn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820513262 607238831 /nfs/dbraw/zinc/23/88/31/607238831.db2.gz YMXGWZUWPDEPOI-AWEZNQCLSA-N -1 3 374.404 3.030 20 0 FGADHM C[C@H](OC(=O)c1ccccc1Cn1cccn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820513262 607238832 /nfs/dbraw/zinc/23/88/32/607238832.db2.gz YMXGWZUWPDEPOI-AWEZNQCLSA-N -1 3 374.404 3.030 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1coc(-c2ccccc2)n1 ZINC000823318579 607243202 /nfs/dbraw/zinc/24/32/02/607243202.db2.gz FDUYOYIXAVSIKV-UHFFFAOYSA-N -1 3 366.768 3.427 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1coc(-c2ccccc2)n1 ZINC000823318579 607243203 /nfs/dbraw/zinc/24/32/03/607243203.db2.gz FDUYOYIXAVSIKV-UHFFFAOYSA-N -1 3 366.768 3.427 20 0 FGADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)c1cc(Br)cs1 ZINC000823451011 607245779 /nfs/dbraw/zinc/24/57/79/607245779.db2.gz SFSHPJWRROLWPS-UHFFFAOYSA-N -1 3 369.175 3.049 20 0 FGADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)c1cc(Br)cs1 ZINC000823451011 607245780 /nfs/dbraw/zinc/24/57/80/607245780.db2.gz SFSHPJWRROLWPS-UHFFFAOYSA-N -1 3 369.175 3.049 20 0 FGADHM Cc1cccc2c(CCC(=O)Oc3ccc(-c4nnn[n-]4)cc3F)c[nH]c21 ZINC000822331316 607246166 /nfs/dbraw/zinc/24/61/66/607246166.db2.gz DAVQKFQOOYTJTM-UHFFFAOYSA-N -1 3 365.368 3.334 20 0 FGADHM Cc1cccc2c(CCC(=O)Oc3ccc(-c4nn[n-]n4)cc3F)c[nH]c21 ZINC000822331316 607246167 /nfs/dbraw/zinc/24/61/67/607246167.db2.gz DAVQKFQOOYTJTM-UHFFFAOYSA-N -1 3 365.368 3.334 20 0 FGADHM CSc1ccc(O[C@H](C)C(=O)Oc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000821984381 607247577 /nfs/dbraw/zinc/24/75/77/607247577.db2.gz PILCNXYISPHDDW-SNVBAGLBSA-N -1 3 374.397 3.101 20 0 FGADHM CSc1ccc(O[C@H](C)C(=O)Oc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000821984381 607247578 /nfs/dbraw/zinc/24/75/78/607247578.db2.gz PILCNXYISPHDDW-SNVBAGLBSA-N -1 3 374.397 3.101 20 0 FGADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)c1cc(-c2ccc(F)cc2)on1 ZINC000823449940 607248379 /nfs/dbraw/zinc/24/83/79/607248379.db2.gz FTYSLFFPEVUBJY-UHFFFAOYSA-N -1 3 369.287 3.019 20 0 FGADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)c1cc(-c2ccc(F)cc2)on1 ZINC000823449940 607248380 /nfs/dbraw/zinc/24/83/80/607248380.db2.gz FTYSLFFPEVUBJY-UHFFFAOYSA-N -1 3 369.287 3.019 20 0 FGADHM O=C(CCc1c[nH]c2ccccc12)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000822974227 607249028 /nfs/dbraw/zinc/24/90/28/607249028.db2.gz BZQQMACKRYWXHB-UHFFFAOYSA-N -1 3 351.341 3.025 20 0 FGADHM O=C(CCc1c[nH]c2ccccc12)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000822974227 607249029 /nfs/dbraw/zinc/24/90/29/607249029.db2.gz BZQQMACKRYWXHB-UHFFFAOYSA-N -1 3 351.341 3.025 20 0 FGADHM C[C@H](OC(=O)c1cc(-c2nnn[n-]2)cn1C)c1cc(Cl)ccc1Cl ZINC000824723405 607779508 /nfs/dbraw/zinc/77/95/08/607779508.db2.gz RGONTQPGHBAORX-QMMMGPOBSA-N -1 3 366.208 3.430 20 0 FGADHM C[C@H](OC(=O)c1cc(-c2nn[n-]n2)cn1C)c1cc(Cl)ccc1Cl ZINC000824723405 607779509 /nfs/dbraw/zinc/77/95/09/607779509.db2.gz RGONTQPGHBAORX-QMMMGPOBSA-N -1 3 366.208 3.430 20 0 FGADHM CC[C@@H](CC(=O)Nc1ccccc1-c1nnn[n-]1)c1ccc(OC)cc1 ZINC000825081265 607782419 /nfs/dbraw/zinc/78/24/19/607782419.db2.gz HZQKDOBBVZAUMH-ZDUSSCGKSA-N -1 3 351.410 3.398 20 0 FGADHM CC[C@@H](CC(=O)Nc1ccccc1-c1nn[n-]n1)c1ccc(OC)cc1 ZINC000825081265 607782420 /nfs/dbraw/zinc/78/24/20/607782420.db2.gz HZQKDOBBVZAUMH-ZDUSSCGKSA-N -1 3 351.410 3.398 20 0 FGADHM O=C(NCC1(C2CC2)CCC1)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000826433340 607782686 /nfs/dbraw/zinc/78/26/86/607782686.db2.gz BYSARWPHPQQZTP-UHFFFAOYSA-N -1 3 366.469 3.121 20 0 FGADHM O=C(NCC1(C2CC2)CCC1)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000826433340 607782687 /nfs/dbraw/zinc/78/26/87/607782687.db2.gz BYSARWPHPQQZTP-UHFFFAOYSA-N -1 3 366.469 3.121 20 0 FGADHM Cc1nc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CC[C@@H](C)C3)c(C)s1 ZINC000826323679 607782698 /nfs/dbraw/zinc/78/26/98/607782698.db2.gz NPMBHOUFXQEBGR-SSDOTTSWSA-N -1 3 374.495 3.379 20 0 FGADHM CCSc1ccc(CC(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000825673804 607785447 /nfs/dbraw/zinc/78/54/47/607785447.db2.gz CRSVOJZMKKEIMH-UHFFFAOYSA-N -1 3 353.451 3.184 20 0 FGADHM CCSc1ccc(CC(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825673804 607785448 /nfs/dbraw/zinc/78/54/48/607785448.db2.gz CRSVOJZMKKEIMH-UHFFFAOYSA-N -1 3 353.451 3.184 20 0 FGADHM Cc1ccc(Br)cc1C(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC000826281102 607786641 /nfs/dbraw/zinc/78/66/41/607786641.db2.gz FANLSSYKWGQKRJ-UHFFFAOYSA-N -1 3 372.226 3.214 20 0 FGADHM Cc1ccc(Br)cc1C(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC000826281102 607786642 /nfs/dbraw/zinc/78/66/42/607786642.db2.gz FANLSSYKWGQKRJ-UHFFFAOYSA-N -1 3 372.226 3.214 20 0 FGADHM Cc1cc(C)c2cc(C(=O)N(C)c3ccccc3-c3nnn[n-]3)sc2n1 ZINC000826263624 607786728 /nfs/dbraw/zinc/78/67/28/607786728.db2.gz KPZCUWDJDRZGFY-UHFFFAOYSA-N -1 3 364.434 3.370 20 0 FGADHM Cc1cc(C)c2cc(C(=O)N(C)c3ccccc3-c3nn[n-]n3)sc2n1 ZINC000826263624 607786729 /nfs/dbraw/zinc/78/67/29/607786729.db2.gz KPZCUWDJDRZGFY-UHFFFAOYSA-N -1 3 364.434 3.370 20 0 FGADHM CCSCc1ccc(C(=O)N(C)c2ccccc2-c2nnn[n-]2)cc1 ZINC000825675152 607787362 /nfs/dbraw/zinc/78/73/62/607787362.db2.gz XXAXTTOSSZEWPZ-UHFFFAOYSA-N -1 3 353.451 3.396 20 0 FGADHM CCSCc1ccc(C(=O)N(C)c2ccccc2-c2nn[n-]n2)cc1 ZINC000825675152 607787363 /nfs/dbraw/zinc/78/73/63/607787363.db2.gz XXAXTTOSSZEWPZ-UHFFFAOYSA-N -1 3 353.451 3.396 20 0 FGADHM CCN(C(=O)[C@@H]1CCSc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000825366712 607796168 /nfs/dbraw/zinc/79/61/68/607796168.db2.gz FGVVMJBYSQHYPH-MRXNPFEDSA-N -1 3 365.462 3.499 20 0 FGADHM CCN(C(=O)[C@@H]1CCSc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000825366712 607796169 /nfs/dbraw/zinc/79/61/69/607796169.db2.gz FGVVMJBYSQHYPH-MRXNPFEDSA-N -1 3 365.462 3.499 20 0 FGADHM CCN(C(=O)c1cnc2ccsc2c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825390914 607796850 /nfs/dbraw/zinc/79/68/50/607796850.db2.gz POEWGVAWBZNJBV-UHFFFAOYSA-N -1 3 350.407 3.143 20 0 FGADHM CCN(C(=O)c1cnc2ccsc2c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825390914 607796851 /nfs/dbraw/zinc/79/68/51/607796851.db2.gz POEWGVAWBZNJBV-UHFFFAOYSA-N -1 3 350.407 3.143 20 0 FGADHM CCN(C(=O)Cc1cn(CC)c2ccccc12)c1ccc(-c2nnn[n-]2)cc1 ZINC000825376646 607799146 /nfs/dbraw/zinc/79/91/46/607799146.db2.gz KNVHCVANKZBHOD-UHFFFAOYSA-N -1 3 374.448 3.437 20 0 FGADHM CCN(C(=O)Cc1cn(CC)c2ccccc12)c1ccc(-c2nn[n-]n2)cc1 ZINC000825376646 607799147 /nfs/dbraw/zinc/79/91/47/607799147.db2.gz KNVHCVANKZBHOD-UHFFFAOYSA-N -1 3 374.448 3.437 20 0 FGADHM C[C@@H](OC(=O)CC1(C)CCCCC1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000824715460 607806312 /nfs/dbraw/zinc/80/63/12/607806312.db2.gz SHQCUZRWYLVQBV-CYBMUJFWSA-N -1 3 371.441 3.097 20 0 FGADHM C[C@@H](OC(=O)CC1(C)CCCCC1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000824715460 607806313 /nfs/dbraw/zinc/80/63/13/607806313.db2.gz SHQCUZRWYLVQBV-CYBMUJFWSA-N -1 3 371.441 3.097 20 0 FGADHM C(=Cc1ccccc1-c1nnn[n-]1)c1nc(-c2ccc3c(c2)CCO3)no1 ZINC000823861473 607808559 /nfs/dbraw/zinc/80/85/59/607808559.db2.gz JWGGSNOOHFXJKG-SOFGYWHQSA-N -1 3 358.361 3.022 20 0 FGADHM C(=Cc1ccccc1-c1nn[n-]n1)c1nc(-c2ccc3c(c2)CCO3)no1 ZINC000823861473 607808560 /nfs/dbraw/zinc/80/85/60/607808560.db2.gz JWGGSNOOHFXJKG-SOFGYWHQSA-N -1 3 358.361 3.022 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@@H](C)Cc1ccccc1Cl ZINC000826174282 607813929 /nfs/dbraw/zinc/81/39/29/607813929.db2.gz QHVSOYQAICOSQO-NSHDSACASA-N -1 3 372.812 3.313 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@@H](C)Cc1ccccc1Cl ZINC000826174282 607813930 /nfs/dbraw/zinc/81/39/30/607813930.db2.gz QHVSOYQAICOSQO-NSHDSACASA-N -1 3 372.812 3.313 20 0 FGADHM c1ccc(C2CCN(c3c(-c4nnn[n-]4)cnc4ccccc43)CC2)nc1 ZINC000826520230 607820599 /nfs/dbraw/zinc/82/05/99/607820599.db2.gz CZIWAGOIELTTCD-UHFFFAOYSA-N -1 3 357.421 3.194 20 0 FGADHM c1ccc(C2CCN(c3c(-c4nn[n-]n4)cnc4ccccc43)CC2)nc1 ZINC000826520230 607820600 /nfs/dbraw/zinc/82/06/00/607820600.db2.gz CZIWAGOIELTTCD-UHFFFAOYSA-N -1 3 357.421 3.194 20 0 FGADHM COc1ccc(COC(=O)CCCSC(C)(C)C)cc1-c1nnn[n-]1 ZINC000826205469 607826468 /nfs/dbraw/zinc/82/64/68/607826468.db2.gz XOSONJSXDSMEKA-UHFFFAOYSA-N -1 3 364.471 3.230 20 0 FGADHM COc1ccc(COC(=O)CCCSC(C)(C)C)cc1-c1nn[n-]n1 ZINC000826205469 607826469 /nfs/dbraw/zinc/82/64/69/607826469.db2.gz XOSONJSXDSMEKA-UHFFFAOYSA-N -1 3 364.471 3.230 20 0 FGADHM Cc1noc(C)c1[C@@H](C)CC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000826338202 607827804 /nfs/dbraw/zinc/82/78/04/607827804.db2.gz NTISZALGEAVGRB-JTQLQIEISA-N -1 3 371.445 3.160 20 0 FGADHM Cc1noc(C)c1[C@@H](C)CC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000826338202 607827805 /nfs/dbraw/zinc/82/78/05/607827805.db2.gz NTISZALGEAVGRB-JTQLQIEISA-N -1 3 371.445 3.160 20 0 FGADHM CCC(CC)NC(=O)[C@@H](C)Sc1ccc(-c2nnn[n-]2)cc1Cl ZINC000825106870 607844417 /nfs/dbraw/zinc/84/44/17/607844417.db2.gz KQYCVLPKHDOMSB-SECBINFHSA-N -1 3 353.879 3.306 20 0 FGADHM CCC(CC)NC(=O)[C@@H](C)Sc1ccc(-c2nn[n-]n2)cc1Cl ZINC000825106870 607844418 /nfs/dbraw/zinc/84/44/18/607844418.db2.gz KQYCVLPKHDOMSB-SECBINFHSA-N -1 3 353.879 3.306 20 0 FGADHM CCC[C@@H](C)NC(=O)[C@H](C)Sc1ccc(-c2nnn[n-]2)cc1Cl ZINC000825233520 607844528 /nfs/dbraw/zinc/84/45/28/607844528.db2.gz QJLGAGOKJNRJTB-ZJUUUORDSA-N -1 3 353.879 3.306 20 0 FGADHM CCC[C@@H](C)NC(=O)[C@H](C)Sc1ccc(-c2nn[n-]n2)cc1Cl ZINC000825233520 607844529 /nfs/dbraw/zinc/84/45/29/607844529.db2.gz QJLGAGOKJNRJTB-ZJUUUORDSA-N -1 3 353.879 3.306 20 0 FGADHM CN(CN1c2cccc3cccc(c23)C1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825950437 607846308 /nfs/dbraw/zinc/84/63/08/607846308.db2.gz OITWCGUTHVKETK-UHFFFAOYSA-N -1 3 356.389 3.074 20 0 FGADHM C[C@H](OC[C@H](O)COc1ccccc1-c1nnn[n-]1)c1ccc(Cl)cc1 ZINC000824731545 607870065 /nfs/dbraw/zinc/87/00/65/607870065.db2.gz WPIUJFCAGSSEEH-WFASDCNBSA-N -1 3 374.828 3.038 20 0 FGADHM C[C@H](OC[C@H](O)COc1ccccc1-c1nn[n-]n1)c1ccc(Cl)cc1 ZINC000824731545 607870066 /nfs/dbraw/zinc/87/00/66/607870066.db2.gz WPIUJFCAGSSEEH-WFASDCNBSA-N -1 3 374.828 3.038 20 0 FGADHM C/C=C\c1ccc(OC[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)c(OC)c1 ZINC000825029434 607870946 /nfs/dbraw/zinc/87/09/46/607870946.db2.gz SIUIBCLUHOKENN-MJSXRHKHSA-N -1 3 352.394 3.021 20 0 FGADHM C/C=C\c1ccc(OC[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)c(OC)c1 ZINC000825029434 607870947 /nfs/dbraw/zinc/87/09/47/607870947.db2.gz SIUIBCLUHOKENN-MJSXRHKHSA-N -1 3 352.394 3.021 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1OC[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000826278828 607877352 /nfs/dbraw/zinc/87/73/52/607877352.db2.gz VCNPWGXKIOAYGT-AWEZNQCLSA-N -1 3 364.327 3.306 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1OC[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000826278828 607877353 /nfs/dbraw/zinc/87/73/53/607877353.db2.gz VCNPWGXKIOAYGT-AWEZNQCLSA-N -1 3 364.327 3.306 20 0 FGADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)O[C@H](C(C)(C)C)C(F)(F)F ZINC000824755835 607877790 /nfs/dbraw/zinc/87/77/90/607877790.db2.gz LOXNLGUUMYKEOK-YMTOWFKASA-N -1 3 372.347 3.154 20 0 FGADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)O[C@H](C(C)(C)C)C(F)(F)F ZINC000824755835 607877791 /nfs/dbraw/zinc/87/77/91/607877791.db2.gz LOXNLGUUMYKEOK-YMTOWFKASA-N -1 3 372.347 3.154 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000826173958 607880428 /nfs/dbraw/zinc/88/04/28/607880428.db2.gz CECYDDUFTCQYJA-VNHYZAJKSA-N -1 3 356.426 3.387 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000826173958 607880429 /nfs/dbraw/zinc/88/04/29/607880429.db2.gz CECYDDUFTCQYJA-VNHYZAJKSA-N -1 3 356.426 3.387 20 0 FGADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000825971353 607881459 /nfs/dbraw/zinc/88/14/59/607881459.db2.gz CLLSIPAVNDUXOC-SOLBZPMBSA-N -1 3 353.470 3.432 20 0 FGADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000825971353 607881460 /nfs/dbraw/zinc/88/14/60/607881460.db2.gz CLLSIPAVNDUXOC-SOLBZPMBSA-N -1 3 353.470 3.432 20 0 FGADHM O=c1[nH]c(C(Cl)=Cc2ccccc2-c2nnn[n-]2)nc2ccccc12 ZINC000826500777 607883926 /nfs/dbraw/zinc/88/39/26/607883926.db2.gz LUPRTDLMGGUSES-UKTHLTGXSA-N -1 3 350.769 3.252 20 0 FGADHM O=c1[nH]c(C(Cl)=Cc2ccccc2-c2nn[n-]n2)nc2ccccc12 ZINC000826500777 607883927 /nfs/dbraw/zinc/88/39/27/607883927.db2.gz LUPRTDLMGGUSES-UKTHLTGXSA-N -1 3 350.769 3.252 20 0 FGADHM CCCOc1ccccc1OCc1cccc(C(=O)OC)c1-c1nnn[n-]1 ZINC000825341762 607890151 /nfs/dbraw/zinc/89/01/51/607890151.db2.gz JWAIVCUDVALPGZ-UHFFFAOYSA-N -1 3 368.393 3.021 20 0 FGADHM CCCOc1ccccc1OCc1cccc(C(=O)OC)c1-c1nn[n-]n1 ZINC000825341762 607890152 /nfs/dbraw/zinc/89/01/52/607890152.db2.gz JWAIVCUDVALPGZ-UHFFFAOYSA-N -1 3 368.393 3.021 20 0 FGADHM CC1(C)CCC[C@@H](C(=O)Nc2ccnn2-c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000824801385 607894415 /nfs/dbraw/zinc/89/44/15/607894415.db2.gz FBXXERKANMIAMS-CQSZACIVSA-N -1 3 365.441 3.207 20 0 FGADHM CC(C)CSCCNC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000824274082 607916754 /nfs/dbraw/zinc/91/67/54/607916754.db2.gz DRSMENJGYKHLCR-UHFFFAOYSA-N -1 3 354.867 3.031 20 0 FGADHM CC(C)CSCCNC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000824274082 607916755 /nfs/dbraw/zinc/91/67/55/607916755.db2.gz DRSMENJGYKHLCR-UHFFFAOYSA-N -1 3 354.867 3.031 20 0 FGADHM CCc1ccccc1NC(=S)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000825723273 607930410 /nfs/dbraw/zinc/93/04/10/607930410.db2.gz WFRMGMICNMYPRD-UHFFFAOYSA-N -1 3 350.451 3.189 20 0 FGADHM CCc1ccccc1NC(=S)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000825723273 607930411 /nfs/dbraw/zinc/93/04/11/607930411.db2.gz WFRMGMICNMYPRD-UHFFFAOYSA-N -1 3 350.451 3.189 20 0 FGADHM S=C(Nc1ccc2c(c1)CCC2)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826512057 607930560 /nfs/dbraw/zinc/93/05/60/607930560.db2.gz NEOTZWMOWLYYOZ-UHFFFAOYSA-N -1 3 362.462 3.115 20 0 FGADHM S=C(Nc1ccc2c(c1)CCC2)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826512057 607930561 /nfs/dbraw/zinc/93/05/61/607930561.db2.gz NEOTZWMOWLYYOZ-UHFFFAOYSA-N -1 3 362.462 3.115 20 0 FGADHM CC(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c2ccccc21 ZINC000823975296 607937215 /nfs/dbraw/zinc/93/72/15/607937215.db2.gz WJCJMQFQJVCASG-MRXNPFEDSA-N -1 3 368.828 3.430 20 0 FGADHM CC(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c2ccccc21 ZINC000823975296 607937216 /nfs/dbraw/zinc/93/72/16/607937216.db2.gz WJCJMQFQJVCASG-MRXNPFEDSA-N -1 3 368.828 3.430 20 0 FGADHM CS[C@@H](C)CC(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000826225229 607943173 /nfs/dbraw/zinc/94/31/73/607943173.db2.gz WTCVXGJMEFAHHI-VIFPVBQESA-N -1 3 360.468 3.070 20 0 FGADHM CS[C@@H](C)CC(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826225229 607943174 /nfs/dbraw/zinc/94/31/74/607943174.db2.gz WTCVXGJMEFAHHI-VIFPVBQESA-N -1 3 360.468 3.070 20 0 FGADHM Cc1cccc(C2(C(=O)N3CCc4ccc(-c5nnn[n-]5)cc43)CCC2)c1 ZINC000826297171 607945512 /nfs/dbraw/zinc/94/55/12/607945512.db2.gz XXPOQOPHBHNGIE-UHFFFAOYSA-N -1 3 359.433 3.186 20 0 FGADHM Cc1cccc(C2(C(=O)N3CCc4ccc(-c5nn[n-]n5)cc43)CCC2)c1 ZINC000826297171 607945513 /nfs/dbraw/zinc/94/55/13/607945513.db2.gz XXPOQOPHBHNGIE-UHFFFAOYSA-N -1 3 359.433 3.186 20 0 FGADHM C[C@H](CC(=O)N1CCc2ccc(-c3nnn[n-]3)cc21)c1ccc(F)cc1 ZINC000824385334 607946932 /nfs/dbraw/zinc/94/69/32/607946932.db2.gz QQOVXFKLJSKAIE-GFCCVEGCSA-N -1 3 351.385 3.089 20 0 FGADHM C[C@H](CC(=O)N1CCc2ccc(-c3nn[n-]n3)cc21)c1ccc(F)cc1 ZINC000824385334 607946933 /nfs/dbraw/zinc/94/69/33/607946933.db2.gz QQOVXFKLJSKAIE-GFCCVEGCSA-N -1 3 351.385 3.089 20 0 FGADHM O=C(C=Cc1ccc(Cl)s1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826401221 607949534 /nfs/dbraw/zinc/94/95/34/607949534.db2.gz SRFNGBYUURNUTN-XQRVVYSFSA-N -1 3 357.826 3.184 20 0 FGADHM O=C(C=Cc1ccc(Cl)s1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826401221 607949535 /nfs/dbraw/zinc/94/95/35/607949535.db2.gz SRFNGBYUURNUTN-XQRVVYSFSA-N -1 3 357.826 3.184 20 0 FGADHM O=C(CSc1ccc(Cl)cc1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826421121 607950477 /nfs/dbraw/zinc/95/04/77/607950477.db2.gz SPHOZYGLWSPSID-UHFFFAOYSA-N -1 3 371.853 3.202 20 0 FGADHM O=C(CSc1ccc(Cl)cc1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826421121 607950478 /nfs/dbraw/zinc/95/04/78/607950478.db2.gz SPHOZYGLWSPSID-UHFFFAOYSA-N -1 3 371.853 3.202 20 0 FGADHM O=C(c1cc2cc(Cl)ccc2[nH]1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826470398 607953860 /nfs/dbraw/zinc/95/38/60/607953860.db2.gz OLUOUYRAJNZSGG-UHFFFAOYSA-N -1 3 364.796 3.204 20 0 FGADHM O=C(c1cc2cc(Cl)ccc2[nH]1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826470398 607953861 /nfs/dbraw/zinc/95/38/61/607953861.db2.gz OLUOUYRAJNZSGG-UHFFFAOYSA-N -1 3 364.796 3.204 20 0 FGADHM C[C@@H](OC(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1)c1ccncc1 ZINC000824723676 607959383 /nfs/dbraw/zinc/95/93/83/607959383.db2.gz UCNZGNDFCJBXIZ-SECBINFHSA-N -1 3 363.299 3.199 20 0 FGADHM C[C@@H](OC(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1)c1ccncc1 ZINC000824723676 607959384 /nfs/dbraw/zinc/95/93/84/607959384.db2.gz UCNZGNDFCJBXIZ-SECBINFHSA-N -1 3 363.299 3.199 20 0 FGADHM Cc1cccc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2)c1Br ZINC000826296257 607960264 /nfs/dbraw/zinc/96/02/64/607960264.db2.gz PCWMBDOWKRGVGR-UHFFFAOYSA-N -1 3 373.210 3.295 20 0 FGADHM Cc1cccc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2)c1Br ZINC000826296257 607960265 /nfs/dbraw/zinc/96/02/65/607960265.db2.gz PCWMBDOWKRGVGR-UHFFFAOYSA-N -1 3 373.210 3.295 20 0 FGADHM OC[C@H](Nc1cccc(F)c1-c1nnn[n-]1)c1ccc(C(F)(F)F)cc1 ZINC000826508112 607969046 /nfs/dbraw/zinc/96/90/46/607969046.db2.gz DYISCYQKFRWFNV-ZDUSSCGKSA-N -1 3 367.306 3.170 20 0 FGADHM OC[C@H](Nc1cccc(F)c1-c1nn[n-]n1)c1ccc(C(F)(F)F)cc1 ZINC000826508112 607969047 /nfs/dbraw/zinc/96/90/47/607969047.db2.gz DYISCYQKFRWFNV-ZDUSSCGKSA-N -1 3 367.306 3.170 20 0 FGADHM OC[C@@H](Nc1cccc(F)c1-c1nnn[n-]1)c1ccc(C(F)(F)F)cc1 ZINC000826508111 607969208 /nfs/dbraw/zinc/96/92/08/607969208.db2.gz DYISCYQKFRWFNV-CYBMUJFWSA-N -1 3 367.306 3.170 20 0 FGADHM OC[C@@H](Nc1cccc(F)c1-c1nn[n-]n1)c1ccc(C(F)(F)F)cc1 ZINC000826508111 607969209 /nfs/dbraw/zinc/96/92/09/607969209.db2.gz DYISCYQKFRWFNV-CYBMUJFWSA-N -1 3 367.306 3.170 20 0 FGADHM CCOc1ccc(-c2nc3cc(-c4nnn[n-]4)ccc3n2CC)cc1OC ZINC000825621719 607974881 /nfs/dbraw/zinc/97/48/81/607974881.db2.gz YFFBRSSGLNPMTK-UHFFFAOYSA-N -1 3 364.409 3.311 20 0 FGADHM CCOc1ccc(-c2nc3cc(-c4nn[n-]n4)ccc3n2CC)cc1OC ZINC000825621719 607974882 /nfs/dbraw/zinc/97/48/82/607974882.db2.gz YFFBRSSGLNPMTK-UHFFFAOYSA-N -1 3 364.409 3.311 20 0 FGADHM CC(=Cc1cccc(Cl)c1)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000823943137 607981518 /nfs/dbraw/zinc/98/15/18/607981518.db2.gz OMGNMKCYANYCNE-YRNVUSSQSA-N -1 3 371.803 3.379 20 0 FGADHM CC(=Cc1cccc(Cl)c1)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000823943137 607981517 /nfs/dbraw/zinc/98/15/17/607981517.db2.gz OMGNMKCYANYCNE-YRNVUSSQSA-N -1 3 371.803 3.379 20 0 FGADHM CC(=O)c1ccc(NCCCOc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000824024408 607982401 /nfs/dbraw/zinc/98/24/01/607982401.db2.gz DAMIRJFLSXLSSU-UHFFFAOYSA-N -1 3 351.410 3.259 20 0 FGADHM CC(=O)c1ccc(NCCCOc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000824024408 607982402 /nfs/dbraw/zinc/98/24/02/607982402.db2.gz DAMIRJFLSXLSSU-UHFFFAOYSA-N -1 3 351.410 3.259 20 0 FGADHM C[C@@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)C1CCC(F)(F)CC1 ZINC000824450530 607991986 /nfs/dbraw/zinc/99/19/86/607991986.db2.gz XNAGELUDEHWVIP-NSHDSACASA-N -1 3 366.368 3.003 20 0 FGADHM C[C@@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)C1CCC(F)(F)CC1 ZINC000824450530 607991987 /nfs/dbraw/zinc/99/19/87/607991987.db2.gz XNAGELUDEHWVIP-NSHDSACASA-N -1 3 366.368 3.003 20 0 FGADHM C[C@H](Nc1nccc(OCc2ccccc2)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824670609 608015392 /nfs/dbraw/zinc/01/53/92/608015392.db2.gz SFZWBCPAVIDFPT-AWEZNQCLSA-N -1 3 373.420 3.409 20 0 FGADHM C[C@H](Nc1nccc(OCc2ccccc2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824670609 608015393 /nfs/dbraw/zinc/01/53/93/608015393.db2.gz SFZWBCPAVIDFPT-AWEZNQCLSA-N -1 3 373.420 3.409 20 0 FGADHM Cn1c2cc(Br)ccc2nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC000826354683 608015662 /nfs/dbraw/zinc/01/56/62/608015662.db2.gz PULMBZSOIBHKQA-UHFFFAOYSA-N -1 3 355.199 3.183 20 0 FGADHM Cn1c2cc(Br)ccc2nc1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826354683 608015663 /nfs/dbraw/zinc/01/56/63/608015663.db2.gz PULMBZSOIBHKQA-UHFFFAOYSA-N -1 3 355.199 3.183 20 0 FGADHM C[C@H](CNc1ccc(F)cc1-c1nnn[n-]1)c1nc(-c2ccccc2)no1 ZINC000824432859 608016998 /nfs/dbraw/zinc/01/69/98/608016998.db2.gz AIWWSQBTBUUIER-LLVKDONJSA-N -1 3 365.372 3.271 20 0 FGADHM C[C@H](CNc1ccc(F)cc1-c1nn[n-]n1)c1nc(-c2ccccc2)no1 ZINC000824432859 608016999 /nfs/dbraw/zinc/01/69/99/608016999.db2.gz AIWWSQBTBUUIER-LLVKDONJSA-N -1 3 365.372 3.271 20 0 FGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)c1scnc1C1CC1 ZINC000824148063 608025291 /nfs/dbraw/zinc/02/52/91/608025291.db2.gz MGTOAZDIPOUFGK-UHFFFAOYSA-N -1 3 357.443 3.009 20 0 FGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)c1scnc1C1CC1 ZINC000824148063 608025292 /nfs/dbraw/zinc/02/52/92/608025292.db2.gz MGTOAZDIPOUFGK-UHFFFAOYSA-N -1 3 357.443 3.009 20 0 FGADHM CC[C@@H](C)n1ncc(C(=O)OCc2cccc(-c3nnn[n-]3)c2)c1C1CC1 ZINC000825082825 608029838 /nfs/dbraw/zinc/02/98/38/608029838.db2.gz WBJPWOWLHCJVHQ-GFCCVEGCSA-N -1 3 366.425 3.269 20 0 FGADHM CC[C@@H](C)n1ncc(C(=O)OCc2cccc(-c3nn[n-]n3)c2)c1C1CC1 ZINC000825082825 608029839 /nfs/dbraw/zinc/02/98/39/608029839.db2.gz WBJPWOWLHCJVHQ-GFCCVEGCSA-N -1 3 366.425 3.269 20 0 FGADHM O=C(CCOc1ccc(Cl)c(F)c1)Nc1sccc1-c1nnn[n-]1 ZINC000826407820 608048159 /nfs/dbraw/zinc/04/81/59/608048159.db2.gz CFPRSGBPAFOGIB-UHFFFAOYSA-N -1 3 367.793 3.128 20 0 FGADHM O=C(CCOc1ccc(Cl)c(F)c1)Nc1sccc1-c1nn[n-]n1 ZINC000826407820 608048160 /nfs/dbraw/zinc/04/81/60/608048160.db2.gz CFPRSGBPAFOGIB-UHFFFAOYSA-N -1 3 367.793 3.128 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cccc(OC)c1F ZINC000825318880 608053908 /nfs/dbraw/zinc/05/39/08/608053908.db2.gz SSOCMGPRZGCAHO-UHFFFAOYSA-N -1 3 369.400 3.067 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cccc(OC)c1F ZINC000825318880 608053909 /nfs/dbraw/zinc/05/39/09/608053909.db2.gz SSOCMGPRZGCAHO-UHFFFAOYSA-N -1 3 369.400 3.067 20 0 FGADHM C[C@@H]1C[C@H]1NC(=O)c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000824901060 608057711 /nfs/dbraw/zinc/05/77/11/608057711.db2.gz XOFMSBHEBXSBBU-QMTHXVAHSA-N -1 3 369.812 3.451 20 0 FGADHM C[C@@H]1C[C@H]1NC(=O)c1ccc(Oc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000824901060 608057712 /nfs/dbraw/zinc/05/77/12/608057712.db2.gz XOFMSBHEBXSBBU-QMTHXVAHSA-N -1 3 369.812 3.451 20 0 FGADHM C[C@@H](c1cccc(F)c1)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824770354 608068541 /nfs/dbraw/zinc/06/85/41/608068541.db2.gz JHWPVMINSKQUEV-SCLBCKFNSA-N -1 3 353.401 3.140 20 0 FGADHM C[C@@H](c1ccc(F)cc1F)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824761407 608069678 /nfs/dbraw/zinc/06/96/78/608069678.db2.gz ACMQJYQNAVPYTL-SGTLLEGYSA-N -1 3 371.391 3.279 20 0 FGADHM C[C@@H](c1ccc(F)cc1F)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824761407 608069679 /nfs/dbraw/zinc/06/96/79/608069679.db2.gz ACMQJYQNAVPYTL-SGTLLEGYSA-N -1 3 371.391 3.279 20 0 FGADHM O=C(CCCc1cc(F)ccc1F)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000826406769 608071766 /nfs/dbraw/zinc/07/17/66/608071766.db2.gz LSGQWGKTVDBPCL-UHFFFAOYSA-N -1 3 361.327 3.245 20 0 FGADHM O=C(CCCc1cc(F)ccc1F)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000826406769 608071767 /nfs/dbraw/zinc/07/17/67/608071767.db2.gz LSGQWGKTVDBPCL-UHFFFAOYSA-N -1 3 361.327 3.245 20 0 FGADHM OCCCCCNc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000826510070 608095733 /nfs/dbraw/zinc/09/57/33/608095733.db2.gz WYTYYAFTRMLGQB-UHFFFAOYSA-N -1 3 357.389 3.373 20 0 FGADHM OCCCCCNc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000826510070 608095734 /nfs/dbraw/zinc/09/57/34/608095734.db2.gz WYTYYAFTRMLGQB-UHFFFAOYSA-N -1 3 357.389 3.373 20 0 FGADHM CC(C)c1ccc2c(c1)[C@H](NC(=O)c1cc(-c3nnn[n-]3)c[nH]1)CCC2 ZINC000824347686 608100132 /nfs/dbraw/zinc/10/01/32/608100132.db2.gz KHYWXDDLFRIVPA-MRXNPFEDSA-N -1 3 350.426 3.126 20 0 FGADHM CC(C)c1ccc2c(c1)[C@H](NC(=O)c1cc(-c3nn[n-]n3)c[nH]1)CCC2 ZINC000824347686 608100133 /nfs/dbraw/zinc/10/01/33/608100133.db2.gz KHYWXDDLFRIVPA-MRXNPFEDSA-N -1 3 350.426 3.126 20 0 FGADHM CCSc1cccc(C(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC000825675155 608115462 /nfs/dbraw/zinc/11/54/62/608115462.db2.gz YDYTVVUUEVXIKG-UHFFFAOYSA-N -1 3 353.451 3.251 20 0 FGADHM CCSc1cccc(C(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC000825675155 608115463 /nfs/dbraw/zinc/11/54/63/608115463.db2.gz YDYTVVUUEVXIKG-UHFFFAOYSA-N -1 3 353.451 3.251 20 0 FGADHM C[C@@H](C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1)c1c(F)cccc1F ZINC000824053290 608117188 /nfs/dbraw/zinc/11/71/88/608117188.db2.gz XHEYRFJNVKNJRA-SECBINFHSA-N -1 3 362.311 3.131 20 0 FGADHM C[C@@H](C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1)c1c(F)cccc1F ZINC000824053290 608117189 /nfs/dbraw/zinc/11/71/89/608117189.db2.gz XHEYRFJNVKNJRA-SECBINFHSA-N -1 3 362.311 3.131 20 0 FGADHM O=C(O[C@@H]1CCOc2c(Cl)cccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000826462960 608128772 /nfs/dbraw/zinc/12/87/72/608128772.db2.gz OQZJMTPWPZHSBB-CQSZACIVSA-N -1 3 356.769 3.201 20 0 FGADHM O=C(O[C@@H]1CCOc2c(Cl)cccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000826462960 608128773 /nfs/dbraw/zinc/12/87/73/608128773.db2.gz OQZJMTPWPZHSBB-CQSZACIVSA-N -1 3 356.769 3.201 20 0 FGADHM COCCOc1ccc(-c2nnn[n-]2)cc1NC/C=C/c1ccccc1 ZINC000826161819 608136326 /nfs/dbraw/zinc/13/63/26/608136326.db2.gz BBKFMOSGNKCTTC-VMPITWQZSA-N -1 3 351.410 3.017 20 0 FGADHM COCCOc1ccc(-c2nn[n-]n2)cc1NC/C=C/c1ccccc1 ZINC000826161819 608136327 /nfs/dbraw/zinc/13/63/27/608136327.db2.gz BBKFMOSGNKCTTC-VMPITWQZSA-N -1 3 351.410 3.017 20 0 FGADHM C[C@H]1CCN(C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)CC12CCC2 ZINC000824950206 608156922 /nfs/dbraw/zinc/15/69/22/608156922.db2.gz ZWANZSKFDTXQAT-ZDUSSCGKSA-N -1 3 371.489 3.467 20 0 FGADHM C[C@H]1CCN(C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)CC12CCC2 ZINC000824950206 608156924 /nfs/dbraw/zinc/15/69/24/608156924.db2.gz ZWANZSKFDTXQAT-ZDUSSCGKSA-N -1 3 371.489 3.467 20 0 FGADHM CCN(C(=O)c1cc(F)c(Cl)cc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000825380544 608157493 /nfs/dbraw/zinc/15/74/93/608157493.db2.gz QMCYIRGKXQUZRG-UHFFFAOYSA-N -1 3 363.755 3.465 20 0 FGADHM CCN(C(=O)c1cc(F)c(Cl)cc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000825380544 608157496 /nfs/dbraw/zinc/15/74/96/608157496.db2.gz QMCYIRGKXQUZRG-UHFFFAOYSA-N -1 3 363.755 3.465 20 0 FGADHM Cc1cccc(C2=CCN(C(=O)NCc3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000826297437 608162536 /nfs/dbraw/zinc/16/25/36/608162536.db2.gz HSEUKSNPVZEVBG-UHFFFAOYSA-N -1 3 374.448 3.174 20 0 FGADHM Cc1cccc(C2=CCN(C(=O)NCc3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000826297437 608162538 /nfs/dbraw/zinc/16/25/38/608162538.db2.gz HSEUKSNPVZEVBG-UHFFFAOYSA-N -1 3 374.448 3.174 20 0 FGADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@H]1CC12CCCCC2 ZINC000824206638 608163863 /nfs/dbraw/zinc/16/38/63/608163863.db2.gz GFQCMBNZPYGCTC-DLBZAZTESA-N -1 3 369.469 3.109 20 0 FGADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@H]1CC12CCCCC2 ZINC000824206638 608163864 /nfs/dbraw/zinc/16/38/64/608163864.db2.gz GFQCMBNZPYGCTC-DLBZAZTESA-N -1 3 369.469 3.109 20 0 FGADHM Cc1ccc(F)c([C@@H](C)OC(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826289268 608165425 /nfs/dbraw/zinc/16/54/25/608165425.db2.gz SYJATVGOVQHVJU-CHWSQXEVSA-N -1 3 370.384 3.386 20 0 FGADHM C[C@@H](OC(=O)C1(c2ccc(F)cc2)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000824713618 608182003 /nfs/dbraw/zinc/18/20/03/608182003.db2.gz JFADRWANIMALLM-GFCCVEGCSA-N -1 3 352.369 3.342 20 0 FGADHM C[C@@H](OC(=O)C1(c2ccc(F)cc2)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000824713618 608182005 /nfs/dbraw/zinc/18/20/05/608182005.db2.gz JFADRWANIMALLM-GFCCVEGCSA-N -1 3 352.369 3.342 20 0 FGADHM CCOCCC1(C(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)CCCC1 ZINC000825590657 608182135 /nfs/dbraw/zinc/18/21/35/608182135.db2.gz ZWYQLCDHWUZWCH-CQSZACIVSA-N -1 3 358.442 3.458 20 0 FGADHM CCOCCC1(C(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)CCCC1 ZINC000825590657 608182136 /nfs/dbraw/zinc/18/21/36/608182136.db2.gz ZWYQLCDHWUZWCH-CQSZACIVSA-N -1 3 358.442 3.458 20 0 FGADHM CCCC(CCC)C(=O)NCc1nc(-c2cccc(-c3nnn[n-]3)c2)c[nH]1 ZINC000825242675 608191437 /nfs/dbraw/zinc/19/14/37/608191437.db2.gz YFLMQDSAJIPBSE-UHFFFAOYSA-N -1 3 367.457 3.089 20 0 FGADHM CCCC(CCC)C(=O)NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1 ZINC000825242675 608191438 /nfs/dbraw/zinc/19/14/38/608191438.db2.gz YFLMQDSAJIPBSE-UHFFFAOYSA-N -1 3 367.457 3.089 20 0 FGADHM c1ccc2c(c1)ncc(-c1nnn[n-]1)c2N1CCC(Cc2cccnc2)CC1 ZINC000826525303 608194892 /nfs/dbraw/zinc/19/48/92/608194892.db2.gz DVQBMPLLSUXZIQ-UHFFFAOYSA-N -1 3 371.448 3.269 20 0 FGADHM c1ccc2c(c1)ncc(-c1nn[n-]n1)c2N1CCC(Cc2cccnc2)CC1 ZINC000826525303 608194893 /nfs/dbraw/zinc/19/48/93/608194893.db2.gz DVQBMPLLSUXZIQ-UHFFFAOYSA-N -1 3 371.448 3.269 20 0 FGADHM C[C@@H]1CCN(C(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)CC12CCC2 ZINC000824947803 608200166 /nfs/dbraw/zinc/20/01/66/608200166.db2.gz RCFAVUDAWWRNAV-CQSZACIVSA-N -1 3 369.469 3.063 20 0 FGADHM C[C@@H]1CCN(C(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)CC12CCC2 ZINC000824947803 608200168 /nfs/dbraw/zinc/20/01/68/608200168.db2.gz RCFAVUDAWWRNAV-CQSZACIVSA-N -1 3 369.469 3.063 20 0 FGADHM CC(C)CN(Cc1ncn(-c2ccccc2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824261652 608204211 /nfs/dbraw/zinc/20/42/11/608204211.db2.gz NXOIYYYFLWKQSB-UHFFFAOYSA-N -1 3 374.452 3.110 20 0 FGADHM COc1ccc(CNc2ccc3cc(-c4nnn[n-]4)ccc3n2)c(OC)c1 ZINC000826204115 608223465 /nfs/dbraw/zinc/22/34/65/608223465.db2.gz YARYGAOEZLASJK-UHFFFAOYSA-N -1 3 362.393 3.044 20 0 FGADHM COc1ccc(CNc2ccc3cc(-c4nn[n-]n4)ccc3n2)c(OC)c1 ZINC000826204115 608223466 /nfs/dbraw/zinc/22/34/66/608223466.db2.gz YARYGAOEZLASJK-UHFFFAOYSA-N -1 3 362.393 3.044 20 0 FGADHM COc1cc(Br)cc(NCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826177026 608227196 /nfs/dbraw/zinc/22/71/96/608227196.db2.gz OIOFFSPJIBTZIP-UHFFFAOYSA-N -1 3 360.215 3.250 20 0 FGADHM COc1cc(Br)cc(NCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826177026 608227198 /nfs/dbraw/zinc/22/71/98/608227198.db2.gz OIOFFSPJIBTZIP-UHFFFAOYSA-N -1 3 360.215 3.250 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc(Cl)c(F)c1 ZINC000825626829 608236825 /nfs/dbraw/zinc/23/68/25/608236825.db2.gz PSZGQNSJJUWXBJ-UHFFFAOYSA-N -1 3 361.764 3.310 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(Cl)c(F)c1 ZINC000825626829 608236826 /nfs/dbraw/zinc/23/68/26/608236826.db2.gz PSZGQNSJJUWXBJ-UHFFFAOYSA-N -1 3 361.764 3.310 20 0 FGADHM CCc1ccc(C2=CCN(C(=O)Cc3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC000825704446 608246218 /nfs/dbraw/zinc/24/62/18/608246218.db2.gz IQSOAVMKOFQCTA-UHFFFAOYSA-N -1 3 373.460 3.288 20 0 FGADHM CCc1ccc(C2=CCN(C(=O)Cc3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000825704446 608246219 /nfs/dbraw/zinc/24/62/19/608246219.db2.gz IQSOAVMKOFQCTA-UHFFFAOYSA-N -1 3 373.460 3.288 20 0 FGADHM CN(Cc1cccc(-c2nn[n-]n2)c1)Cc1ccc(Oc2ccccc2)nn1 ZINC000825975900 608253753 /nfs/dbraw/zinc/25/37/53/608253753.db2.gz ARVMSSXWBVWSQC-UHFFFAOYSA-N -1 3 373.420 3.081 20 0 FGADHM CC[C@H]1CC[C@H](C)N1C(=O)CSc1nc(C)c(C)c(C)c1-c1nnn[n-]1 ZINC000825191360 608270619 /nfs/dbraw/zinc/27/06/19/608270619.db2.gz ARVKSGKOKNTXML-HZMBPMFUSA-N -1 3 374.514 3.069 20 0 FGADHM CC[C@H]1CC[C@H](C)N1C(=O)CSc1nc(C)c(C)c(C)c1-c1nn[n-]n1 ZINC000825191360 608270620 /nfs/dbraw/zinc/27/06/20/608270620.db2.gz ARVKSGKOKNTXML-HZMBPMFUSA-N -1 3 374.514 3.069 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)c(N(C)Cc2ccccc2OC(F)(F)F)n1 ZINC000826274346 608272236 /nfs/dbraw/zinc/27/22/36/608272236.db2.gz OESBINLVYWEPDJ-UHFFFAOYSA-N -1 3 364.331 3.105 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)c(N(C)Cc2ccccc2OC(F)(F)F)n1 ZINC000826274346 608272238 /nfs/dbraw/zinc/27/22/38/608272238.db2.gz OESBINLVYWEPDJ-UHFFFAOYSA-N -1 3 364.331 3.105 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)c(NCc2ccc(F)cc2C(F)(F)F)n1 ZINC000826276686 608274994 /nfs/dbraw/zinc/27/49/94/608274994.db2.gz RMOPDHMDTQEBTP-UHFFFAOYSA-N -1 3 352.295 3.340 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)c(NCc2ccc(F)cc2C(F)(F)F)n1 ZINC000826276686 608274995 /nfs/dbraw/zinc/27/49/95/608274995.db2.gz RMOPDHMDTQEBTP-UHFFFAOYSA-N -1 3 352.295 3.340 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)c(NCc2ccccc2OCC(F)(F)F)n1 ZINC000826277056 608277419 /nfs/dbraw/zinc/27/74/19/608277419.db2.gz HMZMSDSDLZLIRK-UHFFFAOYSA-N -1 3 364.331 3.123 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)c(NCc2ccccc2OCC(F)(F)F)n1 ZINC000826277056 608277417 /nfs/dbraw/zinc/27/74/17/608277417.db2.gz HMZMSDSDLZLIRK-UHFFFAOYSA-N -1 3 364.331 3.123 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc(F)c(SC)c1 ZINC000825626957 608278283 /nfs/dbraw/zinc/27/82/83/608278283.db2.gz RJRFIYPVAXMSRS-UHFFFAOYSA-N -1 3 373.413 3.379 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(F)c(SC)c1 ZINC000825626957 608278284 /nfs/dbraw/zinc/27/82/84/608278284.db2.gz RJRFIYPVAXMSRS-UHFFFAOYSA-N -1 3 373.413 3.379 20 0 FGADHM c1ccc2c(c1)OCC[C@@H]2CNc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC000826524024 608287195 /nfs/dbraw/zinc/28/71/95/608287195.db2.gz FYWRMHAWMZPYRJ-CQSZACIVSA-N -1 3 362.437 3.119 20 0 FGADHM c1ccc2c(c1)OCC[C@@H]2CNc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC000826524024 608287196 /nfs/dbraw/zinc/28/71/96/608287196.db2.gz FYWRMHAWMZPYRJ-CQSZACIVSA-N -1 3 362.437 3.119 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)c(NCc2ccnc(O[C@@H](C)CC(C)C)c2)n1 ZINC000826277293 608287198 /nfs/dbraw/zinc/28/71/98/608287198.db2.gz QDPPIRJGDZWWCB-AWEZNQCLSA-N -1 3 367.457 3.391 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)c(NCc2ccnc(O[C@@H](C)CC(C)C)c2)n1 ZINC000826277293 608287199 /nfs/dbraw/zinc/28/71/99/608287199.db2.gz QDPPIRJGDZWWCB-AWEZNQCLSA-N -1 3 367.457 3.391 20 0 FGADHM Cc1nnc(CSc2nc(-c3ccccc3)ccc2-c2nnn[n-]2)s1 ZINC000826336030 608291371 /nfs/dbraw/zinc/29/13/71/608291371.db2.gz KQWFIUGWABAWOB-UHFFFAOYSA-N -1 3 367.463 3.381 20 0 FGADHM Cc1nnc(CSc2nc(-c3ccccc3)ccc2-c2nn[n-]n2)s1 ZINC000826336030 608291374 /nfs/dbraw/zinc/29/13/74/608291374.db2.gz KQWFIUGWABAWOB-UHFFFAOYSA-N -1 3 367.463 3.381 20 0 FGADHM O=C(CCc1ccco1)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000826408983 608304292 /nfs/dbraw/zinc/30/42/92/608304292.db2.gz CVVIUKOTJOYROO-UHFFFAOYSA-N -1 3 373.416 3.376 20 0 FGADHM O=C(CCc1ccco1)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000826408983 608304294 /nfs/dbraw/zinc/30/42/94/608304294.db2.gz CVVIUKOTJOYROO-UHFFFAOYSA-N -1 3 373.416 3.376 20 0 FGADHM CN(C(=O)c1cccc([C@H]2CCCOC2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825830566 608308127 /nfs/dbraw/zinc/30/81/27/608308127.db2.gz WIZQGEKFAOFQEH-KRWDZBQOSA-N -1 3 363.421 3.037 20 0 FGADHM CN(C(=O)c1cccc([C@H]2CCCOC2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825830566 608308128 /nfs/dbraw/zinc/30/81/28/608308128.db2.gz WIZQGEKFAOFQEH-KRWDZBQOSA-N -1 3 363.421 3.037 20 0 FGADHM CCN(C(=O)[C@@H](C)c1c(C)noc1C)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825361163 608344502 /nfs/dbraw/zinc/34/45/02/608344502.db2.gz CLDBBYDAYYBYIT-VIFPVBQESA-N -1 3 374.832 3.282 20 0 FGADHM CCN(C(=O)[C@@H](C)c1c(C)noc1C)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825361163 608344505 /nfs/dbraw/zinc/34/45/05/608344505.db2.gz CLDBBYDAYYBYIT-VIFPVBQESA-N -1 3 374.832 3.282 20 0 FGADHM CCN(C(=O)c1ncoc1C(C)C)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825390459 608346199 /nfs/dbraw/zinc/34/61/99/608346199.db2.gz FSEDIJLIZNCHPM-UHFFFAOYSA-N -1 3 360.805 3.298 20 0 FGADHM CCN(C(=O)c1ncoc1C(C)C)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825390459 608346200 /nfs/dbraw/zinc/34/62/00/608346200.db2.gz FSEDIJLIZNCHPM-UHFFFAOYSA-N -1 3 360.805 3.298 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1CN1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000826169613 608363641 /nfs/dbraw/zinc/36/36/41/608363641.db2.gz YKBVOLAKPVATIF-KRWDZBQOSA-N -1 3 371.391 3.491 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1CN1CC[C@H]1c1ccc(Cl)cc1 ZINC000826169208 608367572 /nfs/dbraw/zinc/36/75/72/608367572.db2.gz LDGJWFYIMBUPHV-INIZCTEOSA-N -1 3 355.829 3.476 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1CN1CC[C@H]1c1ccc(Cl)cc1 ZINC000826169208 608367574 /nfs/dbraw/zinc/36/75/74/608367574.db2.gz LDGJWFYIMBUPHV-INIZCTEOSA-N -1 3 355.829 3.476 20 0 FGADHM COc1ccc(COC(=O)c2ccc(F)c(SC)c2)cc1-c1nnn[n-]1 ZINC000826206414 608381405 /nfs/dbraw/zinc/38/14/05/608381405.db2.gz RUIUJSGBVQCUDK-UHFFFAOYSA-N -1 3 374.397 3.093 20 0 FGADHM COc1ccc(COC(=O)c2ccc(F)c(SC)c2)cc1-c1nn[n-]n1 ZINC000826206414 608381406 /nfs/dbraw/zinc/38/14/06/608381406.db2.gz RUIUJSGBVQCUDK-UHFFFAOYSA-N -1 3 374.397 3.093 20 0 FGADHM Fc1c(COc2c(F)c(F)c(F)c(F)c2F)cccc1-c1nnn[n-]1 ZINC000826370740 608397295 /nfs/dbraw/zinc/39/72/95/608397295.db2.gz GCKWVYSYNDFQLA-UHFFFAOYSA-N -1 3 360.217 3.280 20 0 FGADHM Fc1c(COc2c(F)c(F)c(F)c(F)c2F)cccc1-c1nn[n-]n1 ZINC000826370740 608397297 /nfs/dbraw/zinc/39/72/97/608397297.db2.gz GCKWVYSYNDFQLA-UHFFFAOYSA-N -1 3 360.217 3.280 20 0 FGADHM O=C(C[C@@H]1CCCN1Cc1cccc(-c2nnn[n-]2)c1F)c1cccs1 ZINC000826404970 608406667 /nfs/dbraw/zinc/40/66/67/608406667.db2.gz RLOCQMBDIBMKDI-ZDUSSCGKSA-N -1 3 371.441 3.305 20 0 FGADHM C[C@@H](NCc1cccc(-c2nnn[n-]2)c1F)c1ccccc1OC(F)F ZINC000824619225 608434606 /nfs/dbraw/zinc/43/46/06/608434606.db2.gz VGDONNFIIQEZRH-SNVBAGLBSA-N -1 3 363.343 3.458 20 0 FGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)c1c[nH]cc1-c1ccccc1 ZINC000826465919 608441732 /nfs/dbraw/zinc/44/17/32/608441732.db2.gz IOPMOFMEKKLDTA-UHFFFAOYSA-N -1 3 363.352 3.358 20 0 FGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)c1c[nH]cc1-c1ccccc1 ZINC000826465919 608441733 /nfs/dbraw/zinc/44/17/33/608441733.db2.gz IOPMOFMEKKLDTA-UHFFFAOYSA-N -1 3 363.352 3.358 20 0 FGADHM c1ccc2oc(CN3CC=C(c4ccc(-c5nn[n-]n5)cc4)CC3)nc2c1 ZINC000823867607 608462992 /nfs/dbraw/zinc/46/29/92/608462992.db2.gz DHOKXYRIOQNQMF-UHFFFAOYSA-N -1 3 358.405 3.297 20 0 FGADHM Cc1nc(CN2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)sc1C ZINC000826326039 608466243 /nfs/dbraw/zinc/46/62/43/608466243.db2.gz WWJPXDHXLRYHBF-UHFFFAOYSA-N -1 3 352.467 3.229 20 0 FGADHM O=C(Nc1ccc(F)cc1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826454259 608470103 /nfs/dbraw/zinc/47/01/03/608470103.db2.gz OZCPZJSCLDTHIZ-UHFFFAOYSA-N -1 3 364.384 3.327 20 0 FGADHM O=C(Nc1ccc(F)cc1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826454259 608470104 /nfs/dbraw/zinc/47/01/04/608470104.db2.gz OZCPZJSCLDTHIZ-UHFFFAOYSA-N -1 3 364.384 3.327 20 0 FGADHM CC[C@@H](CSC)NC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000825125546 608475093 /nfs/dbraw/zinc/47/50/93/608475093.db2.gz DJPZWWWWOHSPJX-ZDUSSCGKSA-N -1 3 367.478 3.405 20 0 FGADHM CC[C@@H](CSC)NC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000825125546 608475095 /nfs/dbraw/zinc/47/50/95/608475095.db2.gz DJPZWWWWOHSPJX-ZDUSSCGKSA-N -1 3 367.478 3.405 20 0 FGADHM CC(C)c1ccc(C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)cn1 ZINC000824347507 608478267 /nfs/dbraw/zinc/47/82/67/608478267.db2.gz BPOSGHGBEIGMGN-UHFFFAOYSA-N -1 3 374.448 3.315 20 0 FGADHM CC(C)c1ccc(C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)cn1 ZINC000824347507 608478269 /nfs/dbraw/zinc/47/82/69/608478269.db2.gz BPOSGHGBEIGMGN-UHFFFAOYSA-N -1 3 374.448 3.315 20 0 FGADHM Cc1ccc(CC(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)s1 ZINC000826286720 608486724 /nfs/dbraw/zinc/48/67/24/608486724.db2.gz NNBZSHMAEOBMIX-UHFFFAOYSA-N -1 3 365.462 3.095 20 0 FGADHM Cc1ccc(CC(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)s1 ZINC000826286720 608486726 /nfs/dbraw/zinc/48/67/26/608486726.db2.gz NNBZSHMAEOBMIX-UHFFFAOYSA-N -1 3 365.462 3.095 20 0 FGADHM Cc1ccc2cccc(C(=O)N(C)c3ccc(-c4nnn[n-]4)cc3F)c2n1 ZINC000826294988 608541712 /nfs/dbraw/zinc/54/17/12/608541712.db2.gz MIAWIIOXNUBOQD-UHFFFAOYSA-N -1 3 362.368 3.139 20 0 FGADHM Cc1ccc2cccc(C(=O)N(C)c3ccc(-c4nn[n-]n4)cc3F)c2n1 ZINC000826294988 608541714 /nfs/dbraw/zinc/54/17/14/608541714.db2.gz MIAWIIOXNUBOQD-UHFFFAOYSA-N -1 3 362.368 3.139 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)nc1NCc1ccc(OCC(F)(F)F)cc1 ZINC000826280499 608542240 /nfs/dbraw/zinc/54/22/40/608542240.db2.gz DOVCNCYPWRANSY-UHFFFAOYSA-N -1 3 364.331 3.123 20 0 FGADHM Cc1nnc(N2CC=C(c3ccccc3Cl)CC2)c(-c2nnn[n-]2)c1C ZINC000826336016 608556524 /nfs/dbraw/zinc/55/65/24/608556524.db2.gz KFUUFXZNKSPDCE-UHFFFAOYSA-N -1 3 367.844 3.221 20 0 FGADHM Cc1nnc(N2CC=C(c3ccccc3Cl)CC2)c(-c2nn[n-]n2)c1C ZINC000826336016 608556525 /nfs/dbraw/zinc/55/65/25/608556525.db2.gz KFUUFXZNKSPDCE-UHFFFAOYSA-N -1 3 367.844 3.221 20 0 FGADHM O=C(Nc1nc2c(cc1-c1nnn[n-]1)CCCC2)c1cccc(Cl)c1 ZINC000826460212 608573185 /nfs/dbraw/zinc/57/31/85/608573185.db2.gz RPVVEFNKOCZIIF-UHFFFAOYSA-N -1 3 354.801 3.046 20 0 FGADHM O=C(Nc1nc2c(cc1-c1nn[n-]n1)CCCC2)c1cccc(Cl)c1 ZINC000826460212 608573186 /nfs/dbraw/zinc/57/31/86/608573186.db2.gz RPVVEFNKOCZIIF-UHFFFAOYSA-N -1 3 354.801 3.046 20 0 FGADHM C[C@H](c1ccc(F)cc1)N(C)C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000824763689 608573210 /nfs/dbraw/zinc/57/32/10/608573210.db2.gz OLROAHNJFIMTOW-SNVBAGLBSA-N -1 3 359.792 3.492 20 0 FGADHM C[C@H](c1ccc(F)cc1)N(C)C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000824763689 608573211 /nfs/dbraw/zinc/57/32/11/608573211.db2.gz OLROAHNJFIMTOW-SNVBAGLBSA-N -1 3 359.792 3.492 20 0 FGADHM C[C@@H](OC(=O)c1cncnc1-c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824724066 608576181 /nfs/dbraw/zinc/57/61/81/608576181.db2.gz XXQVDCUGFWKWBO-CYBMUJFWSA-N -1 3 372.388 3.242 20 0 FGADHM C[C@@H](OC(=O)c1cncnc1-c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824724066 608576182 /nfs/dbraw/zinc/57/61/82/608576182.db2.gz XXQVDCUGFWKWBO-CYBMUJFWSA-N -1 3 372.388 3.242 20 0 FGADHM Clc1ccccc1C1=CCN(Cc2ccnc(-c3nnn[n-]3)c2)CC1 ZINC000826353667 608590583 /nfs/dbraw/zinc/59/05/83/608590583.db2.gz ZBHRJCXPAZSCGE-UHFFFAOYSA-N -1 3 352.829 3.204 20 0 FGADHM Clc1ccccc1C1=CCN(Cc2ccnc(-c3nn[n-]n3)c2)CC1 ZINC000826353667 608590585 /nfs/dbraw/zinc/59/05/85/608590585.db2.gz ZBHRJCXPAZSCGE-UHFFFAOYSA-N -1 3 352.829 3.204 20 0 FGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@H](C)[C@@H]1C ZINC000824319154 608599887 /nfs/dbraw/zinc/59/98/87/608599887.db2.gz HNQGVINVOAOGDA-STQMWFEESA-N -1 3 358.446 3.306 20 0 FGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@H](C)[C@@H]1C ZINC000824319154 608599889 /nfs/dbraw/zinc/59/98/89/608599889.db2.gz HNQGVINVOAOGDA-STQMWFEESA-N -1 3 358.446 3.306 20 0 FGADHM C[C@H]1CCCN(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)[C@H]1C ZINC000824938637 608600621 /nfs/dbraw/zinc/60/06/21/608600621.db2.gz WBXYSTWIIQLOJR-UWVGGRQHSA-N -1 3 366.372 3.120 20 0 FGADHM C[C@H]1CCCN(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)[C@H]1C ZINC000824938637 608600622 /nfs/dbraw/zinc/60/06/22/608600622.db2.gz WBXYSTWIIQLOJR-UWVGGRQHSA-N -1 3 366.372 3.120 20 0 FGADHM CCN(CC(=O)Nc1c(C)cccc1C)Cc1ccc(-c2nnn[n-]2)s1 ZINC000825395504 608727633 /nfs/dbraw/zinc/72/76/33/608727633.db2.gz QYFUFUMUGXBDTK-UHFFFAOYSA-N -1 3 370.482 3.006 20 0 FGADHM CCN(CC(=O)Nc1c(C)cccc1C)Cc1ccc(-c2nn[n-]n2)s1 ZINC000825395504 608727635 /nfs/dbraw/zinc/72/76/35/608727635.db2.gz QYFUFUMUGXBDTK-UHFFFAOYSA-N -1 3 370.482 3.006 20 0 FGADHM CCO[C@@H](C)c1nc(CN(C)Cc2ccc(-c3nnn[n-]3)s2)cs1 ZINC000825575919 608731478 /nfs/dbraw/zinc/73/14/78/608731478.db2.gz ADZQLXXEQJQUIA-JTQLQIEISA-N -1 3 364.500 3.114 20 0 FGADHM c1cc(-c2nn[n-]n2)oc1CN1CCCC[C@H]1c1nc2ccccc2o1 ZINC000826524126 608741972 /nfs/dbraw/zinc/74/19/72/608741972.db2.gz KIVFNKUGURBLOJ-AWEZNQCLSA-N -1 3 350.382 3.328 20 0 FGADHM COC(=O)[C@H](N[C@H](C)c1cc(C)sc1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826111326 608753279 /nfs/dbraw/zinc/75/32/79/608753279.db2.gz CXFXXHHWIIIFRH-BDJLRTHQSA-N -1 3 371.466 3.110 20 0 FGADHM COC(=O)[C@H](N[C@H](C)c1cc(C)sc1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826111326 608753283 /nfs/dbraw/zinc/75/32/83/608753283.db2.gz CXFXXHHWIIIFRH-BDJLRTHQSA-N -1 3 371.466 3.110 20 0 FGADHM C[C@@H]1Cc2cc(F)ccc2[C@@H](C)N1C(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000825012836 608825520 /nfs/dbraw/zinc/82/55/20/608825520.db2.gz MHESEXPMTRDKNO-CHWSQXEVSA-N -1 3 365.412 3.083 20 0 FGADHM C[C@@H]1Cc2cc(F)ccc2[C@@H](C)N1C(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000825012836 608825524 /nfs/dbraw/zinc/82/55/24/608825524.db2.gz MHESEXPMTRDKNO-CHWSQXEVSA-N -1 3 365.412 3.083 20 0 FGADHM CC(C)(C)Oc1ccccc1NCc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000824123936 608859625 /nfs/dbraw/zinc/85/96/25/608859625.db2.gz NMRVJCVTAKBHIZ-UHFFFAOYSA-N -1 3 363.425 3.304 20 0 FGADHM CC(C)(C)Oc1ccccc1NCc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000824123936 608859626 /nfs/dbraw/zinc/85/96/26/608859626.db2.gz NMRVJCVTAKBHIZ-UHFFFAOYSA-N -1 3 363.425 3.304 20 0 FGADHM O=C(C1=CCC1)N(Cc1ccc(-c2nnn[n-]2)cc1)Cc1cccc(F)c1 ZINC000826397892 608866398 /nfs/dbraw/zinc/86/63/98/608866398.db2.gz MJHZQPOCROLQMW-UHFFFAOYSA-N -1 3 363.396 3.255 20 0 FGADHM O=C(C1=CCC1)N(Cc1ccc(-c2nn[n-]n2)cc1)Cc1cccc(F)c1 ZINC000826397892 608866400 /nfs/dbraw/zinc/86/64/00/608866400.db2.gz MJHZQPOCROLQMW-UHFFFAOYSA-N -1 3 363.396 3.255 20 0 FGADHM O=c1[nH]c(C(Cl)=Cc2ccc(F)c(-c3nnn[n-]3)c2)nc2ccccc12 ZINC000826500794 608878139 /nfs/dbraw/zinc/87/81/39/608878139.db2.gz MLHZNBYFZJEVMV-WQLSENKSSA-N -1 3 368.759 3.392 20 0 FGADHM O=c1[nH]c(C(Cl)=Cc2ccc(F)c(-c3nn[n-]n3)c2)nc2ccccc12 ZINC000826500794 608878142 /nfs/dbraw/zinc/87/81/42/608878142.db2.gz MLHZNBYFZJEVMV-WQLSENKSSA-N -1 3 368.759 3.392 20 0 FGADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)[C@H]2C[C@H]2C2CC2)c1-c1nnn[n-]1 ZINC000826233675 609168208 /nfs/dbraw/zinc/16/82/08/609168208.db2.gz QYSQHESKCRPOQR-HOTGVXAUSA-N -1 3 362.437 3.259 20 0 FGADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)[C@H]2C[C@H]2C2CC2)c1-c1nn[n-]n1 ZINC000826233675 609168209 /nfs/dbraw/zinc/16/82/09/609168209.db2.gz QYSQHESKCRPOQR-HOTGVXAUSA-N -1 3 362.437 3.259 20 0 FGADHM FC(F)(F)c1ccc(N2CCC[C@@H]2C2CCOCC2)c(-c2nnn[n-]2)c1 ZINC000826368117 609169806 /nfs/dbraw/zinc/16/98/06/609169806.db2.gz CGCUIHAXDGUQQV-CQSZACIVSA-N -1 3 367.375 3.281 20 0 FGADHM FC(F)(F)c1ccc(N2CCC[C@@H]2C2CCOCC2)c(-c2nn[n-]n2)c1 ZINC000826368117 609169808 /nfs/dbraw/zinc/16/98/08/609169808.db2.gz CGCUIHAXDGUQQV-CQSZACIVSA-N -1 3 367.375 3.281 20 0 FGADHM Cc1cc(CN2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)ccc1Cl ZINC000826266140 609172363 /nfs/dbraw/zinc/17/23/63/609172363.db2.gz DCBRASKEWVMMQR-SFHVURJKSA-N -1 3 369.856 3.402 20 0 FGADHM Cc1cc(CN2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)ccc1Cl ZINC000826266140 609172366 /nfs/dbraw/zinc/17/23/66/609172366.db2.gz DCBRASKEWVMMQR-SFHVURJKSA-N -1 3 369.856 3.402 20 0 FGADHM COc1cc(C)nc(CSCCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826179110 609183726 /nfs/dbraw/zinc/18/37/26/609183726.db2.gz ZQGLKVPAWPQXBG-UHFFFAOYSA-N -1 3 371.466 3.281 20 0 FGADHM COc1cc(C)nc(CSCCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826179110 609183727 /nfs/dbraw/zinc/18/37/27/609183727.db2.gz ZQGLKVPAWPQXBG-UHFFFAOYSA-N -1 3 371.466 3.281 20 0 FGADHM CC(C)[C@H]1CCC[C@@H]1Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1 ZINC000824213753 609241530 /nfs/dbraw/zinc/24/15/30/609241530.db2.gz CTSCDCGKGBWNQX-AEFFLSMTSA-N -1 3 370.501 3.064 20 0 FGADHM CC(C)[C@H]1CCC[C@@H]1Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1 ZINC000824213753 609241531 /nfs/dbraw/zinc/24/15/31/609241531.db2.gz CTSCDCGKGBWNQX-AEFFLSMTSA-N -1 3 370.501 3.064 20 0 FGADHM C[C@@H](Nc1ccc(N2CCCC2)nc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824658652 609251482 /nfs/dbraw/zinc/25/14/82/609251482.db2.gz ZPWWMLDWYUHNNC-GFCCVEGCSA-N -1 3 353.405 3.174 20 0 FGADHM C[C@@H](Nc1ccc(N2CCCC2)nc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824658652 609251484 /nfs/dbraw/zinc/25/14/84/609251484.db2.gz ZPWWMLDWYUHNNC-GFCCVEGCSA-N -1 3 353.405 3.174 20 0 FGADHM O=C(NC1CC1)c1cccc(N[C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)c1 ZINC000826428595 609274237 /nfs/dbraw/zinc/27/42/37/609274237.db2.gz GNLCEOUUWPIHRY-LJQANCHMSA-N -1 3 374.448 3.248 20 0 FGADHM O=C(NC1CC1)c1cccc(N[C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)c1 ZINC000826428595 609274239 /nfs/dbraw/zinc/27/42/39/609274239.db2.gz GNLCEOUUWPIHRY-LJQANCHMSA-N -1 3 374.448 3.248 20 0 FGADHM Cc1c(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)cnn1C1CCCCC1 ZINC000826234919 609282537 /nfs/dbraw/zinc/28/25/37/609282537.db2.gz UEDDXCBBURWPGV-UHFFFAOYSA-N -1 3 369.404 3.268 20 0 FGADHM Cc1c(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)cnn1C1CCCCC1 ZINC000826234919 609282538 /nfs/dbraw/zinc/28/25/38/609282538.db2.gz UEDDXCBBURWPGV-UHFFFAOYSA-N -1 3 369.404 3.268 20 0 FGADHM O[C@@H](c1ccccc1NCc1cc(-c2nnn[n-]2)ccc1F)C(F)(F)F ZINC000826504951 609286269 /nfs/dbraw/zinc/28/62/69/609286269.db2.gz ISMKQGOXPZVBSS-AWEZNQCLSA-N -1 3 367.306 3.214 20 0 FGADHM O[C@@H](c1ccccc1NCc1cc(-c2nn[n-]n2)ccc1F)C(F)(F)F ZINC000826504951 609286271 /nfs/dbraw/zinc/28/62/71/609286271.db2.gz ISMKQGOXPZVBSS-AWEZNQCLSA-N -1 3 367.306 3.214 20 0 FGADHM CN(C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)[C@H]1CCc2ccccc21 ZINC000825830196 609286908 /nfs/dbraw/zinc/28/69/08/609286908.db2.gz NTCXFSBJDROGFK-INIZCTEOSA-N -1 3 353.813 3.280 20 0 FGADHM CN(C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)[C@H]1CCc2ccccc21 ZINC000825830196 609286909 /nfs/dbraw/zinc/28/69/09/609286909.db2.gz NTCXFSBJDROGFK-INIZCTEOSA-N -1 3 353.813 3.280 20 0 FGADHM CC(C)(CNC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)c1cccc(F)c1 ZINC000824157492 609290957 /nfs/dbraw/zinc/29/09/57/609290957.db2.gz HIEBYIVKANFXTN-UHFFFAOYSA-N -1 3 373.819 3.367 20 0 FGADHM CC(C)(CNC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)c1cccc(F)c1 ZINC000824157492 609290958 /nfs/dbraw/zinc/29/09/58/609290958.db2.gz HIEBYIVKANFXTN-UHFFFAOYSA-N -1 3 373.819 3.367 20 0 FGADHM O=C(N[C@H](Cc1ccccc1)C1CC1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826427139 609292298 /nfs/dbraw/zinc/29/22/98/609292298.db2.gz GZEHJYPUCUVIBI-QGZVFWFLSA-N -1 3 367.840 3.271 20 0 FGADHM O=C(N[C@H](Cc1ccccc1)C1CC1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826427139 609292300 /nfs/dbraw/zinc/29/23/00/609292300.db2.gz GZEHJYPUCUVIBI-QGZVFWFLSA-N -1 3 367.840 3.271 20 0 FGADHM Cc1cc(Cl)c(C(=O)OCC(=O)c2cccc(-c3nnn[n-]3)c2)cc1C ZINC000826267336 609296258 /nfs/dbraw/zinc/29/62/58/609296258.db2.gz AKCJUPMLGCVEMJ-UHFFFAOYSA-N -1 3 370.796 3.177 20 0 FGADHM Cc1cc(Cl)c(C(=O)OCC(=O)c2cccc(-c3nn[n-]n3)c2)cc1C ZINC000826267336 609296261 /nfs/dbraw/zinc/29/62/61/609296261.db2.gz AKCJUPMLGCVEMJ-UHFFFAOYSA-N -1 3 370.796 3.177 20 0 FGADHM O=C(NCC1(c2cccc(F)c2)CC1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826434720 609300554 /nfs/dbraw/zinc/30/05/54/609300554.db2.gz VRTDTTIMIKFTCP-UHFFFAOYSA-N -1 3 371.803 3.121 20 0 FGADHM O=C(NCC1(c2cccc(F)c2)CC1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826434720 609300556 /nfs/dbraw/zinc/30/05/56/609300556.db2.gz VRTDTTIMIKFTCP-UHFFFAOYSA-N -1 3 371.803 3.121 20 0 FGADHM O=C(Nc1cc(F)c(F)cc1F)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826451658 609300749 /nfs/dbraw/zinc/30/07/49/609300749.db2.gz QAGAGSPPKCLPSR-UHFFFAOYSA-N -1 3 353.691 3.190 20 0 FGADHM O=C(Nc1cc(F)c(F)cc1F)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826451658 609300751 /nfs/dbraw/zinc/30/07/51/609300751.db2.gz QAGAGSPPKCLPSR-UHFFFAOYSA-N -1 3 353.691 3.190 20 0 FGADHM CCc1nnc(N[C@H]2CCO[C@@H](C(CC)CC)C2)c(-c2nnn[n-]2)c1CC ZINC000825767920 609323059 /nfs/dbraw/zinc/32/30/59/609323059.db2.gz UKPIOTMRIPRMEV-XJKSGUPXSA-N -1 3 373.505 3.177 20 0 FGADHM CCc1nnc(N[C@H]2CCO[C@@H](C(CC)CC)C2)c(-c2nn[n-]n2)c1CC ZINC000825767920 609323060 /nfs/dbraw/zinc/32/30/60/609323060.db2.gz UKPIOTMRIPRMEV-XJKSGUPXSA-N -1 3 373.505 3.177 20 0 FGADHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(N(C)C[C@H]3CCCC[C@@H]3O)c2c1 ZINC000826263703 609324680 /nfs/dbraw/zinc/32/46/80/609324680.db2.gz MXJHDVABZWUKGA-PBHICJAKSA-N -1 3 366.469 3.019 20 0 FGADHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(N(C)C[C@H]3CCCC[C@@H]3O)c2c1 ZINC000826263703 609324682 /nfs/dbraw/zinc/32/46/82/609324682.db2.gz MXJHDVABZWUKGA-PBHICJAKSA-N -1 3 366.469 3.019 20 0 FGADHM Brc1cc(-c2nnn[n-]2)ccc1CSC[C@@H]1CCCO1 ZINC000823821296 609328280 /nfs/dbraw/zinc/32/82/80/609328280.db2.gz RTTLKJJDQHELMT-NSHDSACASA-N -1 3 355.261 3.041 20 0 FGADHM Brc1cc(-c2nn[n-]n2)ccc1CSC[C@@H]1CCCO1 ZINC000823821296 609328282 /nfs/dbraw/zinc/32/82/82/609328282.db2.gz RTTLKJJDQHELMT-NSHDSACASA-N -1 3 355.261 3.041 20 0 FGADHM CC(C)(C)C[C@H](NC(=O)Nc1cccc(-c2nnn[n-]2)c1)C(F)(F)F ZINC000824085495 609334718 /nfs/dbraw/zinc/33/47/18/609334718.db2.gz DRXMELYLHPWQRE-NSHDSACASA-N -1 3 356.352 3.355 20 0 FGADHM CC(C)(C)C[C@H](NC(=O)Nc1cccc(-c2nn[n-]n2)c1)C(F)(F)F ZINC000824085495 609334719 /nfs/dbraw/zinc/33/47/19/609334719.db2.gz DRXMELYLHPWQRE-NSHDSACASA-N -1 3 356.352 3.355 20 0 FGADHM CC(C)(C)C[C@@H](NC(=O)Nc1ccc(-c2nnn[n-]2)cc1)C(F)(F)F ZINC000824085097 609334792 /nfs/dbraw/zinc/33/47/92/609334792.db2.gz BEWQEIGQWXKVME-LLVKDONJSA-N -1 3 356.352 3.355 20 0 FGADHM CC(C)(C)C[C@@H](NC(=O)Nc1ccc(-c2nn[n-]n2)cc1)C(F)(F)F ZINC000824085097 609334794 /nfs/dbraw/zinc/33/47/94/609334794.db2.gz BEWQEIGQWXKVME-LLVKDONJSA-N -1 3 356.352 3.355 20 0 FGADHM C[C@H](C(=O)OCc1ccc(-c2nnn[n-]2)cc1Br)C(C)(C)C ZINC000824052376 609345784 /nfs/dbraw/zinc/34/57/84/609345784.db2.gz NWAXWXMWWBWALF-SECBINFHSA-N -1 3 367.247 3.355 20 0 FGADHM C[C@H](C(=O)OCc1ccc(-c2nn[n-]n2)cc1Br)C(C)(C)C ZINC000824052376 609345786 /nfs/dbraw/zinc/34/57/86/609345786.db2.gz NWAXWXMWWBWALF-SECBINFHSA-N -1 3 367.247 3.355 20 0 FGADHM C[C@H](Nc1cccc(N2CCOCC2)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824662561 609346319 /nfs/dbraw/zinc/34/63/19/609346319.db2.gz NCHWITDJDPAEJU-ZDUSSCGKSA-N -1 3 368.416 3.016 20 0 FGADHM C[C@H](Nc1cccc(N2CCOCC2)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824662561 609346321 /nfs/dbraw/zinc/34/63/21/609346321.db2.gz NCHWITDJDPAEJU-ZDUSSCGKSA-N -1 3 368.416 3.016 20 0 FGADHM Brc1cc(-c2nnn[n-]2)ccc1CN1CCOc2ccccc21 ZINC000823821051 609358578 /nfs/dbraw/zinc/35/85/78/609358578.db2.gz NXJXLRCCXLMTNP-UHFFFAOYSA-N -1 3 372.226 3.028 20 0 FGADHM Brc1cc(-c2nn[n-]n2)ccc1CN1CCOc2ccccc21 ZINC000823821051 609358579 /nfs/dbraw/zinc/35/85/79/609358579.db2.gz NXJXLRCCXLMTNP-UHFFFAOYSA-N -1 3 372.226 3.028 20 0 FGADHM CC(C)[C@H]1C[C@H](CC(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)CCO1 ZINC000824215878 609372465 /nfs/dbraw/zinc/37/24/65/609372465.db2.gz NNMRKIWIAMOUHW-IAQYHMDHSA-N -1 3 363.849 3.300 20 0 FGADHM CC(C)[C@H]1C[C@H](CC(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)CCO1 ZINC000824215878 609372467 /nfs/dbraw/zinc/37/24/67/609372467.db2.gz NNMRKIWIAMOUHW-IAQYHMDHSA-N -1 3 363.849 3.300 20 0 FGADHM COC(=O)[C@@H](Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1)C1CC1 ZINC000826112188 609373688 /nfs/dbraw/zinc/37/36/88/609373688.db2.gz UOQGYHIWVMNGDM-KRWDZBQOSA-N -1 3 365.393 3.023 20 0 FGADHM COC(=O)[C@@H](Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1)C1CC1 ZINC000826112188 609373689 /nfs/dbraw/zinc/37/36/89/609373689.db2.gz UOQGYHIWVMNGDM-KRWDZBQOSA-N -1 3 365.393 3.023 20 0 FGADHM CC[C@@H]1C[C@@H](CC(=O)N(CC(C)C)c2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000825182388 609376060 /nfs/dbraw/zinc/37/60/60/609376060.db2.gz IQPVTNXGMKNAAO-MAUKXSAKSA-N -1 3 371.485 3.451 20 0 FGADHM CC[C@@H]1C[C@@H](CC(=O)N(CC(C)C)c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000825182388 609376062 /nfs/dbraw/zinc/37/60/62/609376062.db2.gz IQPVTNXGMKNAAO-MAUKXSAKSA-N -1 3 371.485 3.451 20 0 FGADHM CC[C@H](C)n1nc(C(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1C ZINC000825081978 609385756 /nfs/dbraw/zinc/38/57/56/609385756.db2.gz OTUANHFJZVABFX-WCQYABFASA-N -1 3 354.414 3.261 20 0 FGADHM CC[C@H](C)n1nc(C(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1C ZINC000825081978 609385760 /nfs/dbraw/zinc/38/57/60/609385760.db2.gz OTUANHFJZVABFX-WCQYABFASA-N -1 3 354.414 3.261 20 0 FGADHM CC1=CCN(C(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)CC1 ZINC000824852041 609389880 /nfs/dbraw/zinc/38/98/80/609389880.db2.gz HQSSAOXXJQUSAX-UHFFFAOYSA-N -1 3 361.405 3.451 20 0 FGADHM CC1=CCN(C(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)CC1 ZINC000824852041 609389882 /nfs/dbraw/zinc/38/98/82/609389882.db2.gz HQSSAOXXJQUSAX-UHFFFAOYSA-N -1 3 361.405 3.451 20 0 FGADHM CC(C)[C@H]1C[C@H](CC(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000824716216 609391586 /nfs/dbraw/zinc/39/15/86/609391586.db2.gz WPZDMXSKNGJASG-JJRVBVJISA-N -1 3 358.442 3.312 20 0 FGADHM CC(C)[C@H]1C[C@H](CC(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000824716216 609391589 /nfs/dbraw/zinc/39/15/89/609391589.db2.gz WPZDMXSKNGJASG-JJRVBVJISA-N -1 3 358.442 3.312 20 0 FGADHM O=C(c1cccc(-c2nnn[n-]2)c1)N1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000826473875 609405910 /nfs/dbraw/zinc/40/59/10/609405910.db2.gz RWRXLQFKAVYXGU-AWEZNQCLSA-N -1 3 365.412 3.416 20 0 FGADHM O=C(c1cccc(-c2nn[n-]n2)c1)N1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000826473875 609405912 /nfs/dbraw/zinc/40/59/12/609405912.db2.gz RWRXLQFKAVYXGU-AWEZNQCLSA-N -1 3 365.412 3.416 20 0 FGADHM COc1ccc2c(c1)C[C@H](C)N(C(=O)c1ccc(-c3nnn[n-]3)cc1)[C@@H]2C ZINC000826212345 609408249 /nfs/dbraw/zinc/40/82/49/609408249.db2.gz NOZWBMZKVMIHPG-QWHCGFSZSA-N -1 3 363.421 3.023 20 0 FGADHM COc1ccc2c(c1)C[C@H](C)N(C(=O)c1ccc(-c3nn[n-]n3)cc1)[C@@H]2C ZINC000826212345 609408252 /nfs/dbraw/zinc/40/82/52/609408252.db2.gz NOZWBMZKVMIHPG-QWHCGFSZSA-N -1 3 363.421 3.023 20 0 FGADHM O=C(C[C@@H]1CCCN1c1cccc(F)c1-c1nnn[n-]1)c1ccccc1 ZINC000826404680 609430311 /nfs/dbraw/zinc/43/03/11/609430311.db2.gz ITEGXSJRWMLTIT-AWEZNQCLSA-N -1 3 351.385 3.248 20 0 FGADHM O=C(C[C@@H]1CCCN1c1cccc(F)c1-c1nn[n-]n1)c1ccccc1 ZINC000826404680 609430313 /nfs/dbraw/zinc/43/03/13/609430313.db2.gz ITEGXSJRWMLTIT-AWEZNQCLSA-N -1 3 351.385 3.248 20 0 FGADHM CC(C)NC(=S)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824305425 609442944 /nfs/dbraw/zinc/44/29/44/609442944.db2.gz PRMHYDJKPVFZQX-CYBMUJFWSA-N -1 3 366.494 3.467 20 0 FGADHM CC(C)NC(=S)N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824305425 609442946 /nfs/dbraw/zinc/44/29/46/609442946.db2.gz PRMHYDJKPVFZQX-CYBMUJFWSA-N -1 3 366.494 3.467 20 0 FGADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1csc2ccccc12 ZINC000824739129 609458776 /nfs/dbraw/zinc/45/87/76/609458776.db2.gz VMFLOAKUZVTBKP-LLVKDONJSA-N -1 3 365.418 3.487 20 0 FGADHM Clc1ccc2c(c1)CC[C@H]2Nc1nc2ccccn2c1-c1nnn[n-]1 ZINC000826352574 609465057 /nfs/dbraw/zinc/46/50/57/609465057.db2.gz GGASQQASBQJYDB-CYBMUJFWSA-N -1 3 351.801 3.267 20 0 FGADHM Clc1ccc2c(c1)CC[C@H]2Nc1nc2ccccn2c1-c1nn[n-]n1 ZINC000826352574 609465059 /nfs/dbraw/zinc/46/50/59/609465059.db2.gz GGASQQASBQJYDB-CYBMUJFWSA-N -1 3 351.801 3.267 20 0 FGADHM C[C@H]1CCC[C@@H]1C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000824926657 609486957 /nfs/dbraw/zinc/48/69/57/609486957.db2.gz KSHNLLGLDYWRMI-LRDDRELGSA-N -1 3 364.409 3.429 20 0 FGADHM C[C@H]1CCC[C@@H]1C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000824926657 609486960 /nfs/dbraw/zinc/48/69/60/609486960.db2.gz KSHNLLGLDYWRMI-LRDDRELGSA-N -1 3 364.409 3.429 20 0 FGADHM CCOC(=O)Nc1ccc(N[C@H]2CCO[C@@H](C(C)C)C2)cc1-c1nnn[n-]1 ZINC000825552749 609487539 /nfs/dbraw/zinc/48/75/39/609487539.db2.gz DHSBWUPIRTYBRP-XJKSGUPXSA-N -1 3 374.445 3.051 20 0 FGADHM CCOC(=O)Nc1ccc(N[C@H]2CCO[C@@H](C(C)C)C2)cc1-c1nn[n-]n1 ZINC000825552749 609487542 /nfs/dbraw/zinc/48/75/42/609487542.db2.gz DHSBWUPIRTYBRP-XJKSGUPXSA-N -1 3 374.445 3.051 20 0 FGADHM CCOC(=O)Nc1ccc(NCc2cccc(F)c2F)cc1-c1nnn[n-]1 ZINC000825553849 609488147 /nfs/dbraw/zinc/48/81/47/609488147.db2.gz YEAXVJVGVUZVDQ-UHFFFAOYSA-N -1 3 374.351 3.325 20 0 FGADHM CCOC(=O)Nc1ccc(NCc2cccc(F)c2F)cc1-c1nn[n-]n1 ZINC000825553849 609488148 /nfs/dbraw/zinc/48/81/48/609488148.db2.gz YEAXVJVGVUZVDQ-UHFFFAOYSA-N -1 3 374.351 3.325 20 0 FGADHM CC(C)Oc1ccc(NCc2cnn(C(C)(C)C)c2)cc1-c1nnn[n-]1 ZINC000824329431 609489787 /nfs/dbraw/zinc/48/97/87/609489787.db2.gz QBLGPMLEQVQXED-UHFFFAOYSA-N -1 3 355.446 3.218 20 0 FGADHM CC(C)Oc1ccc(NCc2cnn(C(C)(C)C)c2)cc1-c1nn[n-]n1 ZINC000824329431 609489790 /nfs/dbraw/zinc/48/97/90/609489790.db2.gz QBLGPMLEQVQXED-UHFFFAOYSA-N -1 3 355.446 3.218 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc(-c2ccccc2)o1 ZINC000826186170 609499630 /nfs/dbraw/zinc/49/96/30/609499630.db2.gz HYGUHGMDGUEBQA-UHFFFAOYSA-N -1 3 361.361 3.388 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(-c2ccccc2)o1 ZINC000826186170 609499633 /nfs/dbraw/zinc/49/96/33/609499633.db2.gz HYGUHGMDGUEBQA-UHFFFAOYSA-N -1 3 361.361 3.388 20 0 FGADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)c1ccc(-c2ccccc2)o1 ZINC000826440541 609503166 /nfs/dbraw/zinc/50/31/66/609503166.db2.gz QMMAYOCLDINQSP-UHFFFAOYSA-N -1 3 363.352 3.196 20 0 FGADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)c1ccc(-c2ccccc2)o1 ZINC000826440541 609503168 /nfs/dbraw/zinc/50/31/68/609503168.db2.gz QMMAYOCLDINQSP-UHFFFAOYSA-N -1 3 363.352 3.196 20 0 FGADHM Cc1nn(Cc2ccccc2)c(C)c1CNc1nccc(C)c1-c1nnn[n-]1 ZINC000826314354 609525406 /nfs/dbraw/zinc/52/54/06/609525406.db2.gz SMZVYOCKCHSXAZ-UHFFFAOYSA-N -1 3 374.452 3.044 20 0 FGADHM Cc1nn(Cc2ccccc2)c(C)c1CNc1nccc(C)c1-c1nn[n-]n1 ZINC000826314354 609525408 /nfs/dbraw/zinc/52/54/08/609525408.db2.gz SMZVYOCKCHSXAZ-UHFFFAOYSA-N -1 3 374.452 3.044 20 0 FGADHM Cc1c(Cl)cnc(N(C)Cc2ccc(F)cc2F)c1-c1nnn[n-]1 ZINC000826237128 609528734 /nfs/dbraw/zinc/52/87/34/609528734.db2.gz OWVILQXRUWOKFH-UHFFFAOYSA-N -1 3 350.760 3.138 20 0 FGADHM Cc1c(Cl)cnc(N(C)Cc2ccc(F)cc2F)c1-c1nn[n-]n1 ZINC000826237128 609528736 /nfs/dbraw/zinc/52/87/36/609528736.db2.gz OWVILQXRUWOKFH-UHFFFAOYSA-N -1 3 350.760 3.138 20 0 FGADHM Cc1cc(Nc2cnccc2-c2nnn[n-]2)cnc1N1CCCC[C@@H]1C ZINC000826271186 609563537 /nfs/dbraw/zinc/56/35/37/609563537.db2.gz HFLAGPKCBQGPQY-ZDUSSCGKSA-N -1 3 350.430 3.088 20 0 FGADHM Cc1cc(Nc2cnccc2-c2nn[n-]n2)cnc1N1CCCC[C@@H]1C ZINC000826271186 609563539 /nfs/dbraw/zinc/56/35/39/609563539.db2.gz HFLAGPKCBQGPQY-ZDUSSCGKSA-N -1 3 350.430 3.088 20 0 FGADHM O=C(OCc1ccc(Cl)cc1-c1nnn[n-]1)[C@@H](F)Cc1ccccc1 ZINC000826465316 609614033 /nfs/dbraw/zinc/61/40/33/609614033.db2.gz HVGVNLXTZWQVMX-HNNXBMFYSA-N -1 3 360.776 3.144 20 0 FGADHM O=C(OCc1ccc(Cl)cc1-c1nn[n-]n1)[C@@H](F)Cc1ccccc1 ZINC000826465316 609614034 /nfs/dbraw/zinc/61/40/34/609614034.db2.gz HVGVNLXTZWQVMX-HNNXBMFYSA-N -1 3 360.776 3.144 20 0 FGADHM CC[C@@H](OC1CCCC1)C(=O)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000825152586 609614250 /nfs/dbraw/zinc/61/42/50/609614250.db2.gz CBPKGRFCQQCACA-OAHLLOKOSA-N -1 3 364.833 3.301 20 0 FGADHM CC[C@@H](OC1CCCC1)C(=O)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000825152586 609614251 /nfs/dbraw/zinc/61/42/51/609614251.db2.gz CBPKGRFCQQCACA-OAHLLOKOSA-N -1 3 364.833 3.301 20 0 FGADHM CC(C)c1ccc(C(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)cn1 ZINC000824347403 609614511 /nfs/dbraw/zinc/61/45/11/609614511.db2.gz ACUSYKNKASINPL-UHFFFAOYSA-N -1 3 357.801 3.396 20 0 FGADHM CC(C)c1ccc(C(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)cn1 ZINC000824347403 609614513 /nfs/dbraw/zinc/61/45/13/609614513.db2.gz ACUSYKNKASINPL-UHFFFAOYSA-N -1 3 357.801 3.396 20 0 FGADHM Cc1ccc(C(F)(F)C(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000826284115 609626024 /nfs/dbraw/zinc/62/60/24/609626024.db2.gz KREOJHDAXLJOFO-UHFFFAOYSA-N -1 3 362.311 3.149 20 0 FGADHM Cc1ccc(C(F)(F)C(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000826284115 609626027 /nfs/dbraw/zinc/62/60/27/609626027.db2.gz KREOJHDAXLJOFO-UHFFFAOYSA-N -1 3 362.311 3.149 20 0 FGADHM C[C@@H](OC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)c1cccc2ccccc21 ZINC000824715685 609634438 /nfs/dbraw/zinc/63/44/38/609634438.db2.gz UGHLMLWJWWAPEK-YJYMSZOUSA-N -1 3 374.400 3.358 20 0 FGADHM C[C@@H](OC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)c1cccc2ccccc21 ZINC000824715685 609634440 /nfs/dbraw/zinc/63/44/40/609634440.db2.gz UGHLMLWJWWAPEK-YJYMSZOUSA-N -1 3 374.400 3.358 20 0 FGADHM C[C@H]1CCc2sc(C(=O)OCC(=O)[N-]C(=O)c3cccs3)cc2C1 ZINC000007090314 695562838 /nfs/dbraw/zinc/56/28/38/695562838.db2.gz XMGGMLPYJPPNPH-JTQLQIEISA-N -1 3 363.460 3.048 20 0 FGADHM COc1ccc(NC(=O)COC(=O)c2cc(Cl)c(Cl)[n-]2)cc1OC ZINC000011808933 695602380 /nfs/dbraw/zinc/60/23/80/695602380.db2.gz YTLLFGHQVATDLC-UHFFFAOYSA-N -1 3 373.192 3.134 20 0 FGADHM O=C([N-]NC(=O)c1cccc2cccnc21)c1ccccc1Br ZINC000019168994 695639956 /nfs/dbraw/zinc/63/99/56/695639956.db2.gz HIULSIHVDVUFAI-UHFFFAOYSA-N -1 3 370.206 3.072 20 0 FGADHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]CC(C)C ZINC000024238767 695666689 /nfs/dbraw/zinc/66/66/89/695666689.db2.gz XZKTULUVVLTXJP-UHFFFAOYSA-N -1 3 356.669 3.045 20 0 FGADHM CC(C)[C@H](C)N(C)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000027230972 695691851 /nfs/dbraw/zinc/69/18/51/695691851.db2.gz JBBHYQJRSNETGE-LBPRGKRZSA-N -1 3 358.479 3.019 20 0 FGADHM O=S(=O)([N-]CCOc1ccc(F)cc1)c1c(Cl)cccc1Cl ZINC000028332997 695702739 /nfs/dbraw/zinc/70/27/39/695702739.db2.gz OJKQAEGXACDDJR-UHFFFAOYSA-N -1 3 364.225 3.490 20 0 FGADHM COc1cccc(CNC(=O)[C@H](C)OC(=O)c2cc(Cl)c(Cl)[n-]2)c1 ZINC000028752626 695705634 /nfs/dbraw/zinc/70/56/34/695705634.db2.gz KRIBDTHPAYHSRP-VIFPVBQESA-N -1 3 371.220 3.192 20 0 FGADHM O=S(=O)([N-]Cc1cccnc1OC1CCCC1)c1ccc(F)cc1F ZINC000030433352 695722972 /nfs/dbraw/zinc/72/29/72/695722972.db2.gz QTNIKKOKKVLNIC-UHFFFAOYSA-N -1 3 368.405 3.160 20 0 FGADHM O=C(COC(=O)c1occc1-c1ccccc1)[N-]C(=O)c1cccs1 ZINC000031680441 695738065 /nfs/dbraw/zinc/73/80/65/695738065.db2.gz SBKOZVUUQIBYMN-UHFFFAOYSA-N -1 3 355.371 3.122 20 0 FGADHM CC(C)CC[C@H](C)NC(=O)N[N-]C(=O)c1ccccc1Br ZINC000042999892 695788131 /nfs/dbraw/zinc/78/81/31/695788131.db2.gz CPOQUAUTZGKXJN-NSHDSACASA-N -1 3 356.264 3.218 20 0 FGADHM O=C(NCCCSc1ccc(F)cc1)N[N-]C(=O)c1ccccc1F ZINC000043140354 695789331 /nfs/dbraw/zinc/78/93/31/695789331.db2.gz VVBLWGLMDUWUAR-UHFFFAOYSA-N -1 3 365.405 3.091 20 0 FGADHM Cc1ccc(Cl)c(O[C@H](C)C(=O)N[N-]C(=O)c2ccccc2F)c1 ZINC000045590668 695823596 /nfs/dbraw/zinc/82/35/96/695823596.db2.gz TZMIGOLKZORGBS-LLVKDONJSA-N -1 3 350.777 3.016 20 0 FGADHM C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N[N-]C(=O)c1ccccc1F ZINC000045590642 695823705 /nfs/dbraw/zinc/82/37/05/695823705.db2.gz WGHXSOWQONOBKY-VIFPVBQESA-N -1 3 371.195 3.361 20 0 FGADHM O=C1Nc2cccc(Br)c2C1=N[N-]c1ncnc2sccc21 ZINC000053624251 695931691 /nfs/dbraw/zinc/93/16/91/695931691.db2.gz WITGKDSEWHDTQO-UHFFFAOYSA-N -1 3 374.223 3.222 20 0 FGADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@@H]1CCSc2c(F)cccc21 ZINC000078805407 700288809 /nfs/dbraw/zinc/28/88/09/700288809.db2.gz HHBZAQHYNGJRLO-CYBMUJFWSA-N -1 3 361.442 3.308 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]C2(c3nccs3)CCCC2)c(F)cc1F ZINC000084674637 700361534 /nfs/dbraw/zinc/36/15/34/700361534.db2.gz DNLQUGLEGKCBGA-UHFFFAOYSA-N -1 3 358.435 3.478 20 0 FGADHM COc1cccc(OCC(=O)Nc2cc(Br)ccc2[O-])c1 ZINC000085591148 700367793 /nfs/dbraw/zinc/36/77/93/700367793.db2.gz PEZKLNHACIBEFD-UHFFFAOYSA-N -1 3 352.184 3.181 20 0 FGADHM CC[C@@H]([N-]S(=O)(=O)c1c(Cl)nc2ccccn21)c1nc(C)cs1 ZINC000104760170 700496111 /nfs/dbraw/zinc/49/61/11/700496111.db2.gz RQWHXQJSIGXZQL-SNVBAGLBSA-N -1 3 370.887 3.182 20 0 FGADHM Cc1ccc(Cl)c(O[C@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000123608994 700707226 /nfs/dbraw/zinc/70/72/26/700707226.db2.gz RKMCXBFRNAZCFY-LLVKDONJSA-N -1 3 357.801 3.235 20 0 FGADHM Cc1ccc(Cl)c(O[C@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000123608994 700707233 /nfs/dbraw/zinc/70/72/33/700707233.db2.gz RKMCXBFRNAZCFY-LLVKDONJSA-N -1 3 357.801 3.235 20 0 FGADHM Cc1ccc(Cl)c(O[C@@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000123608782 700707241 /nfs/dbraw/zinc/70/72/41/700707241.db2.gz RKMCXBFRNAZCFY-NSHDSACASA-N -1 3 357.801 3.235 20 0 FGADHM Cc1ccc(Cl)c(O[C@@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000123608782 700707243 /nfs/dbraw/zinc/70/72/43/700707243.db2.gz RKMCXBFRNAZCFY-NSHDSACASA-N -1 3 357.801 3.235 20 0 FGADHM CN(C)CCN(Cc1ccc(F)cc1)C(=O)c1c([O-])cc(F)cc1F ZINC000125012265 700728553 /nfs/dbraw/zinc/72/85/53/700728553.db2.gz BRNVQVCGLJGOMM-UHFFFAOYSA-N -1 3 352.356 3.014 20 0 FGADHM CC(C)c1nn(C)c(Cl)c1C(=O)[N-]c1nnc(C(F)(F)F)s1 ZINC000133843841 704806531 /nfs/dbraw/zinc/80/65/31/704806531.db2.gz VYARWEUMGGVTPJ-UHFFFAOYSA-N -1 3 353.757 3.320 20 0 FGADHM O=C(Cc1ccccc1I)[N-]OCc1ccccc1 ZINC000136900126 704865918 /nfs/dbraw/zinc/86/59/18/704865918.db2.gz SWKQBQPDMWKSBH-UHFFFAOYSA-N -1 3 367.186 3.082 20 0 FGADHM COC(=O)c1ccc(F)c([N-]C(=O)c2cc(F)c([N+](=O)[O-])cc2F)c1 ZINC000151968785 704944831 /nfs/dbraw/zinc/94/48/31/704944831.db2.gz IMVURWIWQIVGPD-UHFFFAOYSA-N -1 3 354.240 3.051 20 0 FGADHM O=C(Cc1ccc(Cl)cc1Br)[N-]OCc1cccnc1 ZINC000152344542 704959957 /nfs/dbraw/zinc/95/99/57/704959957.db2.gz BGJDHBWSQCMEAX-UHFFFAOYSA-N -1 3 355.619 3.288 20 0 FGADHM O=C(Nc1ccc(Cl)cc1[O-])c1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000153609121 705005663 /nfs/dbraw/zinc/00/56/63/705005663.db2.gz WXTVFWIZCRPQTA-MRXNPFEDSA-N -1 3 360.797 3.415 20 0 FGADHM Cc1ccccc1CC(=O)N[N-]C(=O)c1cc(Cl)ccc1OC(F)F ZINC000153676790 705007855 /nfs/dbraw/zinc/00/78/55/705007855.db2.gz QKFPNWBTOCOGLM-UHFFFAOYSA-N -1 3 368.767 3.254 20 0 FGADHM C[C@H](CC(=O)N[N-]C(=O)c1ccc(Cl)cc1Cl)c1ccncc1 ZINC000156549081 705121413 /nfs/dbraw/zinc/12/14/13/705121413.db2.gz LUBVBAKVGWPOHC-SNVBAGLBSA-N -1 3 352.221 3.343 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3sc(Cl)nc3C)nc21 ZINC000157806502 705164795 /nfs/dbraw/zinc/16/47/95/705164795.db2.gz QKRPRVXYYPFMEA-UHFFFAOYSA-N -1 3 350.787 3.020 20 0 FGADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)C[C@@H](O)c2cccs2)c(F)cc1F ZINC000158173832 705175915 /nfs/dbraw/zinc/17/59/15/705175915.db2.gz RDOCURUEURKDCE-GXFFZTMASA-N -1 3 361.435 3.125 20 0 FGADHM O=S(=O)([N-]C[C@H](O)c1ccc(Cl)cc1)c1cc(F)ccc1Cl ZINC000159332138 705220271 /nfs/dbraw/zinc/22/02/71/705220271.db2.gz UGBHTUNNPCQUFQ-ZDUSSCGKSA-N -1 3 364.225 3.144 20 0 FGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)NCCC2=CCCC2)ccc1F ZINC000160334955 705250789 /nfs/dbraw/zinc/25/07/89/705250789.db2.gz SYOPVUOJJIKOKC-UHFFFAOYSA-N -1 3 368.474 3.133 20 0 FGADHM C[C@@H](C[C@H](O)c1ccccc1)[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000163816110 705319920 /nfs/dbraw/zinc/31/99/20/705319920.db2.gz UMRGLHUAOJRBIY-NHYWBVRUSA-N -1 3 357.834 3.270 20 0 FGADHM O=S(=O)(C=Cc1ccc(Cl)cc1)[N-]N=c1nc[nH]c2ccsc21 ZINC000165460221 705339268 /nfs/dbraw/zinc/33/92/68/705339268.db2.gz OUKCRHDANVUIDK-SOFGYWHQSA-N -1 3 366.855 3.262 20 0 FGADHM O=C([N-]c1c2nsnc2ccc1Cl)c1cn(Cc2ccccc2)nn1 ZINC000173266104 705451038 /nfs/dbraw/zinc/45/10/38/705451038.db2.gz PNGWUMFKOXWEAX-UHFFFAOYSA-N -1 3 370.825 3.237 20 0 FGADHM C[C@](O)(CC(=O)N[N-]C(=O)c1ccc(Cl)cc1Cl)c1ccccc1 ZINC000181777605 705808464 /nfs/dbraw/zinc/80/84/64/705808464.db2.gz DPJCEUGEUISPEF-KRWDZBQOSA-N -1 3 367.232 3.052 20 0 FGADHM O=C([N-]NC(=O)c1ccccc1)c1cccc(Br)c1Cl ZINC000182238973 705831714 /nfs/dbraw/zinc/83/17/14/705831714.db2.gz MUQITRQFAGQIFY-UHFFFAOYSA-N -1 3 353.603 3.177 20 0 FGADHM CCN(Cc1cc(Br)ccc1O)C(=O)c1ccc(O)cc1[O-] ZINC000182612310 705852906 /nfs/dbraw/zinc/85/29/06/705852906.db2.gz NGYWJUSZWLGCAR-UHFFFAOYSA-N -1 3 366.211 3.228 20 0 FGADHM CCO[C@@H]1C[C@H](Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)C12CCCC2 ZINC000182730909 705858807 /nfs/dbraw/zinc/85/88/07/705858807.db2.gz IWCYLRPIEFLUFX-DLBZAZTESA-N -1 3 368.499 3.216 20 0 FGADHM CCN(Cc1ncnn1CC(C)C)Cc1cc(Br)ccc1[O-] ZINC000182817911 705863703 /nfs/dbraw/zinc/86/37/03/705863703.db2.gz DSSHKRJOKPHFTK-UHFFFAOYSA-N -1 3 367.291 3.424 20 0 FGADHM O=C([N-]N1Cc2ccccc2C1=O)c1cc(Cl)ccc1OC(F)F ZINC000183850091 705906080 /nfs/dbraw/zinc/90/60/80/705906080.db2.gz YBUBFTQPQQLLCK-UHFFFAOYSA-N -1 3 352.724 3.242 20 0 FGADHM COc1ccc2c(c1)C=C(S(=O)(=O)[N-]c1cnn(C(C)(C)C)c1)CC2 ZINC000184479645 712672347 /nfs/dbraw/zinc/67/23/47/712672347.db2.gz ZURPIOYIKYXXCI-UHFFFAOYSA-N -1 3 361.467 3.376 20 0 FGADHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H](C)CCCC(F)(F)F ZINC000185274509 712690477 /nfs/dbraw/zinc/69/04/77/712690477.db2.gz BPJPNLKEBKOOJU-JTQLQIEISA-N -1 3 358.360 3.460 20 0 FGADHM C=C(C)[C@H](NC(=O)NN=c1ccc(Cl)n[n-]1)c1ccc(F)c(F)c1 ZINC000185482641 712695311 /nfs/dbraw/zinc/69/53/11/712695311.db2.gz ODLYUBUEBUZXNS-AWEZNQCLSA-N -1 3 353.760 3.352 20 0 FGADHM O=C(NCC1(c2cccc(Cl)c2)CCOCC1)c1cccc(O)c1[O-] ZINC000187005848 712730520 /nfs/dbraw/zinc/73/05/20/712730520.db2.gz AGQVDKJJNSDKQJ-UHFFFAOYSA-N -1 3 361.825 3.229 20 0 FGADHM CN(C(=O)c1cccc(O)c1[O-])[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000190421735 712814384 /nfs/dbraw/zinc/81/43/84/712814384.db2.gz NPDRZVAHNHVQIW-GJZGRUSLSA-N -1 3 368.216 3.135 20 0 FGADHM Cc1cc(F)c(Br)cc1NC(=O)NN=c1ccc(Cl)n[n-]1 ZINC000190930186 712826851 /nfs/dbraw/zinc/82/68/51/712826851.db2.gz PXKWECMFWWNPFZ-UHFFFAOYSA-N -1 3 374.601 3.489 20 0 FGADHM O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3c([O-])ccc(Cl)c3F)C2)nc1 ZINC000191383680 712835387 /nfs/dbraw/zinc/83/53/87/712835387.db2.gz XCBJDSHCBRZMRF-JTQLQIEISA-N -1 3 366.780 3.174 20 0 FGADHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cnn(C(C)C)c2)cc1Cl ZINC000191470901 712837410 /nfs/dbraw/zinc/83/74/10/712837410.db2.gz OEPCKAUAVMUYFH-CYBMUJFWSA-N -1 3 360.801 3.087 20 0 FGADHM O=S(=O)([N-]c1ccc(-c2ncc[nH]2)cc1)C1=Cc2ccccc2OC1 ZINC000191544559 712838676 /nfs/dbraw/zinc/83/86/76/712838676.db2.gz BDJZSXLVRXRKEV-UHFFFAOYSA-N -1 3 353.403 3.252 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]Cc2ccc(OCC#N)cc2)sc1Cl ZINC000191927221 712847100 /nfs/dbraw/zinc/84/71/00/712847100.db2.gz LKIIWWOKBYKHGL-UHFFFAOYSA-N -1 3 356.856 3.091 20 0 FGADHM Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)Nc1ncccc1[O-] ZINC000192797819 712873776 /nfs/dbraw/zinc/87/37/76/712873776.db2.gz DOVRKOVLXMWLDN-UHFFFAOYSA-N -1 3 360.776 3.385 20 0 FGADHM CC(C)[C@]1(C(=O)[O-])CCN(Cc2ccc(I)cc2)C1 ZINC000232751841 713578977 /nfs/dbraw/zinc/57/89/77/713578977.db2.gz MZAHZZZBOZIJQX-HNNXBMFYSA-N -1 3 373.234 3.224 20 0 FGADHM CCOCCN(C)Cc1cc(Br)c([O-])c(Br)c1 ZINC000233747578 713579369 /nfs/dbraw/zinc/57/93/69/713579369.db2.gz BRCMMADJODBVPT-UHFFFAOYSA-N -1 3 367.081 3.386 20 0 FGADHM CCOc1cc(C=NNC(=O)CNc2ccc(C)cc2)cc(Cl)c1[O-] ZINC000254839793 713676862 /nfs/dbraw/zinc/67/68/62/713676862.db2.gz KTTKMSMUKDXJGH-UHFFFAOYSA-N -1 3 361.829 3.315 20 0 FGADHM CC(=O)N(C)c1ccccc1[N-]S(=O)(=O)[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC000641683682 717920071 /nfs/dbraw/zinc/92/00/71/717920071.db2.gz RSCGOYLHJKDXOG-CRAIPNDOSA-N -1 3 362.426 3.106 20 0 FGADHM O=C1[N-]C(=O)C(=CNc2c(F)c(F)c(F)c(F)c2F)c2ccccc21 ZINC000255169497 713686798 /nfs/dbraw/zinc/68/67/98/713686798.db2.gz FLJAIHVASNHRJX-YVMONPNESA-N -1 3 354.234 3.105 20 0 FGADHM O=C([O-])c1ccc(CN[C@H]2CCCN(c3ccccc3Cl)C2=O)cc1 ZINC000263426574 713745687 /nfs/dbraw/zinc/74/56/87/713745687.db2.gz QUGYGUOQKLMNIU-INIZCTEOSA-N -1 3 358.825 3.323 20 0 FGADHM O=C(NC[C@H]1CCN(CC(F)(F)F)C1)c1cc([O-])c2ccccc2c1 ZINC000279412054 713758407 /nfs/dbraw/zinc/75/84/07/713758407.db2.gz CBEPOKIXWMXLKF-GFCCVEGCSA-N -1 3 352.356 3.159 20 0 FGADHM CS(=O)(=O)Nc1cccc(NC(=O)c2cc([O-])c3ccccc3c2)c1 ZINC000471705249 714081622 /nfs/dbraw/zinc/08/16/22/714081622.db2.gz ISUTVHWKOQVDQB-UHFFFAOYSA-N -1 3 356.403 3.169 20 0 FGADHM C[C@@H]1CN(C(=O)c2cc([O-])c3ccccc3c2)CCN1CC(F)(F)F ZINC000472430330 714081854 /nfs/dbraw/zinc/08/18/54/714081854.db2.gz KKUJWRYCULDFQQ-GFCCVEGCSA-N -1 3 352.356 3.254 20 0 FGADHM C[C@@H]1C[C@H](c2ccccc2)N(C(=O)NCc2nc(C(F)(F)F)n[n-]2)C1 ZINC000502122424 714111970 /nfs/dbraw/zinc/11/19/70/714111970.db2.gz KTDHTRBEOXRASJ-ZYHUDNBSSA-N -1 3 353.348 3.116 20 0 FGADHM COC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2F)c1C ZINC000521761906 714146349 /nfs/dbraw/zinc/14/63/49/714146349.db2.gz XXKAXTNSULEMAV-UHFFFAOYSA-N -1 3 357.790 3.375 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2cccc(-n3cccn3)c2)c(C)c1C ZINC000522665607 714198382 /nfs/dbraw/zinc/19/83/82/714198382.db2.gz MKAPAGJHOHHLOH-UHFFFAOYSA-N -1 3 357.435 3.299 20 0 FGADHM C[C@H](CCC(C)(C)C)NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000522912908 714212202 /nfs/dbraw/zinc/21/22/02/714212202.db2.gz POKFKRAXUGNVBK-SNVBAGLBSA-N -1 3 366.936 3.011 20 0 FGADHM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2F)ccc1OC ZINC000523530005 714239700 /nfs/dbraw/zinc/23/97/00/714239700.db2.gz WOPRCQUQZYHNGV-UHFFFAOYSA-N -1 3 373.789 3.075 20 0 FGADHM CS(=O)(=O)c1ccc(C(=O)[N-]c2cc(Cl)cc3cccnc32)o1 ZINC000523654422 714245138 /nfs/dbraw/zinc/24/51/38/714245138.db2.gz PIWCHQYJPBUOLO-UHFFFAOYSA-N -1 3 350.783 3.137 20 0 FGADHM O=C(CNC(=O)c1ccc([O-])cc1)NC(c1cccs1)c1cccs1 ZINC000524121163 714268428 /nfs/dbraw/zinc/26/84/28/714268428.db2.gz DPCRNUMLXJSCMK-UHFFFAOYSA-N -1 3 372.471 3.151 20 0 FGADHM CCCCOCC[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000524314097 714278082 /nfs/dbraw/zinc/27/80/82/714278082.db2.gz DGXDLDPRIBAFJC-UHFFFAOYSA-N -1 3 370.696 3.198 20 0 FGADHM CSc1nc(NC(=O)c2ccc(C)c(NC(=O)NC(C)(C)C)c2)n[n-]1 ZINC000524853838 714305669 /nfs/dbraw/zinc/30/56/69/714305669.db2.gz NUWVELVIWBDOAK-UHFFFAOYSA-N -1 3 362.459 3.007 20 0 FGADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2F)cc1C ZINC000525530440 714358654 /nfs/dbraw/zinc/35/86/54/714358654.db2.gz LVRHJLAYIGKNLK-UHFFFAOYSA-N -1 3 357.790 3.375 20 0 FGADHM C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000525967919 714391802 /nfs/dbraw/zinc/39/18/02/714391802.db2.gz 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ZINC000621975623 715042845 /nfs/dbraw/zinc/04/28/45/715042845.db2.gz OMLNEXFVTAODQB-AWEZNQCLSA-N -1 3 351.324 3.404 20 0 FGADHM C[C@H]1CO[C@H](C(F)(F)F)CN1C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622047911 715049712 /nfs/dbraw/zinc/04/97/12/715049712.db2.gz CXHOAEOAIPVQED-CPCISQLKSA-N -1 3 357.250 3.203 20 0 FGADHM Cn1cc([C@@H](NCc2cccc([O-])c2Br)C(F)(F)F)cn1 ZINC000623523245 715354076 /nfs/dbraw/zinc/35/40/76/715354076.db2.gz PQPITWSHCKUMFE-GFCCVEGCSA-N -1 3 364.165 3.281 20 0 FGADHM Cc1cc(C2(NCc3cccc([O-])c3Br)CCOCC2)on1 ZINC000623813087 715407815 /nfs/dbraw/zinc/40/78/15/715407815.db2.gz YYBUWHNXINDLQM-UHFFFAOYSA-N -1 3 367.243 3.247 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]Cc2ccc3c(c2)CCCN3)c(F)c1F ZINC000624367374 715521831 /nfs/dbraw/zinc/52/18/31/715521831.db2.gz SPCDUEGYHUXGCZ-UHFFFAOYSA-N -1 3 352.406 3.110 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]C2(c3ccccc3)CCOCC2)c(F)c1F ZINC000624967833 715634410 /nfs/dbraw/zinc/63/44/10/715634410.db2.gz LWDPFCZSPPOBNM-UHFFFAOYSA-N -1 3 367.417 3.257 20 0 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/nfs/dbraw/zinc/39/61/47/729396147.db2.gz DKXZWXXXCVQKJS-ZDUSSCGKSA-N -1 3 353.813 3.213 20 0 FGADHM COC(=O)CSCc1cccc(NC(=O)c2[n-]cnc2C(F)(F)F)c1 ZINC000826036773 729403128 /nfs/dbraw/zinc/40/31/28/729403128.db2.gz OOMFJCWMFVVMIA-UHFFFAOYSA-N -1 3 373.356 3.087 20 0 FGADHM COC(=O)CSCc1cccc(NC(=O)c2nc[n-]c2C(F)(F)F)c1 ZINC000826036773 729403130 /nfs/dbraw/zinc/40/31/30/729403130.db2.gz OOMFJCWMFVVMIA-UHFFFAOYSA-N -1 3 373.356 3.087 20 0 FGADHM Cc1ccc2ccnc(N3CCC[C@@H](C[N-]C(=O)C(F)(F)F)C3)c2c1 ZINC000826088428 729404834 /nfs/dbraw/zinc/40/48/34/729404834.db2.gz SAGDYFLQPZAPGV-ZDUSSCGKSA-N -1 3 351.372 3.438 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OCc1nc(Cl)ccc1Cl ZINC000826176146 729406068 /nfs/dbraw/zinc/40/60/68/729406068.db2.gz DBAZPDHLPMGGCY-UHFFFAOYSA-N -1 3 352.181 3.156 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OCc1nc(Cl)ccc1Cl ZINC000826176146 729406069 /nfs/dbraw/zinc/40/60/69/729406069.db2.gz DBAZPDHLPMGGCY-UHFFFAOYSA-N -1 3 352.181 3.156 20 0 FGADHM Cc1c(Cl)cnc(NC[C@@H](C)Oc2ccccc2F)c1-c1nnn[n-]1 ZINC000826239963 729406729 /nfs/dbraw/zinc/40/67/29/729406729.db2.gz WLLNOVDQZZHHJM-SECBINFHSA-N -1 3 362.796 3.242 20 0 FGADHM Cc1c(Cl)cnc(NC[C@@H](C)Oc2ccccc2F)c1-c1nn[n-]n1 ZINC000826239963 729406731 /nfs/dbraw/zinc/40/67/31/729406731.db2.gz WLLNOVDQZZHHJM-SECBINFHSA-N -1 3 362.796 3.242 20 0 FGADHM Cc1cc(NCc2ccc(-c3nnn[n-]3)s2)cnc1Br ZINC000826271548 729406997 /nfs/dbraw/zinc/40/69/97/729406997.db2.gz WLRAWEVEFYOBMM-UHFFFAOYSA-N -1 3 351.233 3.006 20 0 FGADHM Cc1ncsc1CN(C)c1ccc(Br)cc1-c1nnn[n-]1 ZINC000826331556 729407418 /nfs/dbraw/zinc/40/74/18/729407418.db2.gz NORGDVOJLHGSGX-UHFFFAOYSA-N -1 3 365.260 3.031 20 0 FGADHM Cc1ncsc1CN(C)c1ccc(Br)cc1-c1nn[n-]n1 ZINC000826331556 729407420 /nfs/dbraw/zinc/40/74/20/729407420.db2.gz NORGDVOJLHGSGX-UHFFFAOYSA-N -1 3 365.260 3.031 20 0 FGADHM O=C(CSc1ccc(F)cc1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826420922 729407926 /nfs/dbraw/zinc/40/79/26/729407926.db2.gz JDJQRZFDRMZFLJ-UHFFFAOYSA-N -1 3 363.805 3.390 20 0 FGADHM O=C(CSc1ccc(F)cc1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826420922 729407927 /nfs/dbraw/zinc/40/79/27/729407927.db2.gz JDJQRZFDRMZFLJ-UHFFFAOYSA-N -1 3 363.805 3.390 20 0 FGADHM COc1ccc2c(c1)CCC(S(=O)(=O)[N-]c1cnc(C(C)C)nc1)=C2 ZINC000829864702 729517915 /nfs/dbraw/zinc/51/79/15/729517915.db2.gz VTQBUNQFMPGXKI-UHFFFAOYSA-N -1 3 359.451 3.338 20 0 FGADHM COc1ccc(Cl)cc1C(F)(F)C(=O)[N-][C@H](c1ncccn1)C1CC1 ZINC000830141633 729539271 /nfs/dbraw/zinc/53/92/71/729539271.db2.gz PDQRUBFASDXCMX-AWEZNQCLSA-N -1 3 367.783 3.498 20 0 FGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)[C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000832443414 729713673 /nfs/dbraw/zinc/71/36/73/729713673.db2.gz DDCUKUINTOXLCR-QWHCGFSZSA-N -1 3 352.360 3.099 20 0 FGADHM CCOC(=O)[C@@H](OC(=O)c1cc2cc(Cl)sc2[n-]1)[C@@H](C)C(C)=O ZINC000835941774 729929068 /nfs/dbraw/zinc/92/90/68/729929068.db2.gz NKNVGVOJTFLPFK-MADCSZMMSA-N -1 3 357.815 3.196 20 0 FGADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1cc(C)ccc1Br ZINC000836481398 729957250 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CC(C)[C@H](OC(=O)Cc1ccc([O-])c(F)c1)C(=O)N1CCCC[C@H]1C ZINC000838143060 730093526 /nfs/dbraw/zinc/09/35/26/730093526.db2.gz RKIJVKAVLQADMH-ACJLOTCBSA-N -1 3 351.418 3.043 20 0 FGADHM CCOC(=O)[C@H](CC)C(=O)O[C@@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000840683555 730162380 /nfs/dbraw/zinc/16/23/80/730162380.db2.gz ACCBERQKDBPLRZ-ONGXEEELSA-N -1 3 366.439 3.207 20 0 FGADHM C[C@H](CSCCNCc1c(Cl)n(C)nc1-c1ccccc1)C(=O)[O-] ZINC000843305491 730606573 /nfs/dbraw/zinc/60/65/73/730606573.db2.gz BLZRIRUTACYIHT-GFCCVEGCSA-N -1 3 367.902 3.284 20 0 FGADHM O=C([N-]C1(CO)CCSCC1)C(F)(F)c1cccc(Cl)c1Cl ZINC000843905123 730665057 /nfs/dbraw/zinc/66/50/57/730665057.db2.gz FBUIWVUXOUUOME-UHFFFAOYSA-N -1 3 370.248 3.460 20 0 FGADHM CS[C@H]1CC[C@@H]([N-]S(=O)(=O)c2sc(Br)cc2C)C1 ZINC000845883184 730906129 /nfs/dbraw/zinc/90/61/29/730906129.db2.gz MCHJJVMQDHSJJI-BDAKNGLRSA-N -1 3 370.359 3.381 20 0 FGADHM O=C([O-])[C@@H]1CN(Cc2cncc(C(F)(F)F)c2)C[C@@H]1c1ccccc1 ZINC000846284921 730943897 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/nfs/dbraw/zinc/39/79/29/732397929.db2.gz JXOOFLIIKYRXMC-WBMJQRKESA-N -1 3 354.244 3.144 20 0 FGADHM O=C(C[N-]C(=O)C(F)(F)C1CCOCC1)c1cccc(Cl)c1Cl ZINC000863065099 732912786 /nfs/dbraw/zinc/91/27/86/732912786.db2.gz WKDUCOAIRLJDCN-UHFFFAOYSA-N -1 3 366.191 3.354 20 0 FGADHM CC(C)c1nn(C)c(Cl)c1C(=O)[N-]c1nc(C2CCOCC2)ns1 ZINC000863261799 732934299 /nfs/dbraw/zinc/93/42/99/732934299.db2.gz ONTQRJIVICUBOD-UHFFFAOYSA-N -1 3 369.878 3.195 20 0 FGADHM COc1ccc2c(c1)C=C(S(=O)(=O)[N-]c1cccc3c1OCC3)CC2 ZINC000863420814 732960324 /nfs/dbraw/zinc/96/03/24/732960324.db2.gz NGHQHFGFKUWHLF-UHFFFAOYSA-N -1 3 357.431 3.359 20 0 FGADHM CC[C@@H](C)NC(=O)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000864417302 733053908 /nfs/dbraw/zinc/05/39/08/733053908.db2.gz GUHRMZVYMGLBTJ-VXGBXAGGSA-N -1 3 357.376 3.167 20 0 FGADHM CCCOc1ccc(Br)cc1CN[C@@H](COC(C)C)C(=O)[O-] ZINC000864516876 733071444 /nfs/dbraw/zinc/07/14/44/733071444.db2.gz PTGRPBGJUPKPSM-AWEZNQCLSA-N -1 3 374.275 3.206 20 0 FGADHM CCc1cnc(CN[C@@H](Cc2ccc(OC(F)(F)F)cc2)C(=O)[O-])s1 ZINC000864528990 733073488 /nfs/dbraw/zinc/07/34/88/733073488.db2.gz VZCNSHKKXRGZET-ZDUSSCGKSA-N -1 3 374.384 3.390 20 0 FGADHM Cc1nc(CN[C@H](Cc2ccc(OC(F)(F)F)cc2)C(=O)[O-])cs1 ZINC000864528348 733073581 /nfs/dbraw/zinc/07/35/81/733073581.db2.gz OJDIADLQDOWBPY-CYBMUJFWSA-N -1 3 360.357 3.136 20 0 FGADHM C[C@@H](NCc1nc2c(c(=O)[n-]1)COCC2)c1cc(Cl)cc(Cl)c1 ZINC000866628599 733376112 /nfs/dbraw/zinc/37/61/12/733376112.db2.gz PWMOLMHLUUXZDY-SECBINFHSA-N -1 3 354.237 3.413 20 0 FGADHM CCC(C)(C)c1noc(CS(=O)(=O)[N-]c2ccc(OC(C)C)cc2)n1 ZINC000867175939 733449400 /nfs/dbraw/zinc/44/94/00/733449400.db2.gz MNKABOPDBDCOSJ-UHFFFAOYSA-N -1 3 367.471 3.486 20 0 FGADHM Cn1cc(C(F)F)c(C[N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)n1 ZINC000867798661 733518521 /nfs/dbraw/zinc/51/85/21/733518521.db2.gz PGSMNCFGFPTBNI-UHFFFAOYSA-N -1 3 370.208 3.143 20 0 FGADHM Cc1nc(C)c(CC(=O)NCc2ccc(Cl)c(C(F)(F)F)c2)c(=O)[n-]1 ZINC000870983634 733905923 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CC/C=C/CCOC(=O)CS(=O)(=O)[N-]c1ccc(OC(C)C)cc1 ZINC000918507843 758334748 /nfs/dbraw/zinc/33/47/48/758334748.db2.gz DXBHSTGAPUPINK-AATRIKPKSA-N -1 3 355.456 3.115 20 0 FGADHM CC(C)c1cccc(S(=O)(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)c1 ZINC000918831542 758374147 /nfs/dbraw/zinc/37/41/47/758374147.db2.gz TWBGHKLEQIWSJW-UHFFFAOYSA-N -1 3 361.467 3.052 20 0 FGADHM C[C@@H]1CCCC[C@H]1OCCNC(=O)COC(=O)c1cc2ccsc2[n-]1 ZINC000918939678 758384697 /nfs/dbraw/zinc/38/46/97/758384697.db2.gz JWNSZQKLLDTYJL-IUODEOHRSA-N -1 3 364.467 3.098 20 0 FGADHM COC(=O)N(C)c1ccc([N-]S(=O)(=O)c2ccc(OC)c(C)c2)cc1 ZINC000919962041 758494712 /nfs/dbraw/zinc/49/47/12/758494712.db2.gz SZCYOGQBONWDBY-UHFFFAOYSA-N -1 3 364.423 3.007 20 0 FGADHM COc1cccc(CS(=O)(=O)[N-][C@@H](C(=O)C(C)C)c2ccccc2)c1 ZINC000920554512 758570841 /nfs/dbraw/zinc/57/08/41/758570841.db2.gz MFBCREQKVALZCY-GOSISDBHSA-N -1 3 361.463 3.081 20 0 FGADHM COc1ccc(C(=O)N2CCC[C@@H](c3nc4c(s3)CCC4)C2)c([O-])c1 ZINC000928255261 760128665 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C[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1Nc1nc(C2CCC2)ns1 ZINC001043064163 766391831 /nfs/dbraw/zinc/39/18/31/766391831.db2.gz JOSARENPMHMNLV-BXUZGUMPSA-N -1 3 358.467 3.084 20 0 FGADHM Cc1ccc(C[N-]S(=O)(=O)c2ccc(Br)s2)s1 ZINC000048445323 221013640 /nfs/dbraw/zinc/01/36/40/221013640.db2.gz NCXGMZXNTSEDRH-UHFFFAOYSA-N -1 3 352.300 3.359 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(NC(C)=O)c2)cc1 ZINC000063444021 221141536 /nfs/dbraw/zinc/14/15/36/221141536.db2.gz XAXAVIUMIZRDFG-UHFFFAOYSA-N -1 3 354.815 3.108 20 0 FGADHM C[C@@H](NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])c1ccc(F)c(F)c1 ZINC000044866947 257340971 /nfs/dbraw/zinc/34/09/71/257340971.db2.gz GQSHPSDYDJKPDC-SJKOYZFVSA-N -1 3 374.387 3.152 20 0 FGADHM CSc1ccc(CNC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])cc1 ZINC000055747906 257348082 /nfs/dbraw/zinc/34/80/82/257348082.db2.gz NMAUAYOFLFLWDW-QGZVFWFLSA-N -1 3 370.474 3.035 20 0 FGADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1cc(Cl)ccc1Br ZINC000097175960 222167183 /nfs/dbraw/zinc/16/71/83/222167183.db2.gz LSDLUKXEOHFHKH-UHFFFAOYSA-N -1 3 369.528 3.492 20 0 FGADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1cc(Cl)ccc1Br ZINC000097175960 222167186 /nfs/dbraw/zinc/16/71/86/222167186.db2.gz LSDLUKXEOHFHKH-UHFFFAOYSA-N -1 3 369.528 3.492 20 0 FGADHM O=C([N-]c1nc[nH]n1)c1csc(-c2cc(Br)cs2)n1 ZINC000097514758 222187378 /nfs/dbraw/zinc/18/73/78/222187378.db2.gz BDKDBEVJOZHPSL-UHFFFAOYSA-N -1 3 356.230 3.005 20 0 FGADHM O=C(CCCN1CCN(c2ccccc2)CC1)Nc1cccc(F)c1[O-] ZINC000530004549 503790154 /nfs/dbraw/zinc/79/01/54/503790154.db2.gz BSPKRHPHMPGKQP-UHFFFAOYSA-N -1 3 357.429 3.072 20 0 FGADHM Cc1cc(CS(=O)(=O)[N-][C@H](c2ccc(F)c(Cl)c2)C2CC2)on1 ZINC000573655983 505588156 /nfs/dbraw/zinc/58/81/56/505588156.db2.gz WWNDSMBDPSTFKF-HNNXBMFYSA-N -1 3 358.822 3.346 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2)C1CCCCC1 ZINC000573653360 505588181 /nfs/dbraw/zinc/58/81/81/505588181.db2.gz XEJNHVHGMRFGFL-NSHDSACASA-N -1 3 370.902 3.472 20 0 FGADHM COCc1cc(Cl)cc(S(=O)(=O)[N-]CC2(C(F)(F)F)CC2)c1 ZINC000570857859 505596818 /nfs/dbraw/zinc/59/68/18/505596818.db2.gz HRTIOYLJIIBDKL-UHFFFAOYSA-N -1 3 357.781 3.107 20 0 FGADHM Cc1cccc([C@@H]2CCCCN2CC(=O)N2CCC(C(=O)[O-])CC2)c1C ZINC000579720969 505608899 /nfs/dbraw/zinc/60/88/99/505608899.db2.gz USMKJUQUTNTDSK-IBGZPJMESA-N -1 3 358.482 3.154 20 0 FGADHM O=C1[N-]C(=O)c2cc(NCc3cccc(OCc4ccccn4)c3)ccc21 ZINC000570947989 505618923 /nfs/dbraw/zinc/61/89/23/505618923.db2.gz IGKRMFWNSXAHFF-UHFFFAOYSA-N -1 3 359.385 3.156 20 0 FGADHM O=C(N[C@@H]1C[C@H]1c1ccc(Br)cc1)c1cccc2nn[n-]c21 ZINC000579791461 505621637 /nfs/dbraw/zinc/62/16/37/505621637.db2.gz YPTZUUZJRGPRAH-GXTWGEPZSA-N -1 3 357.211 3.006 20 0 FGADHM O=C(N[C@@H]1C[C@H]1c1ccc(Br)cc1)c1cccc2[n-]nnc21 ZINC000579791461 505621641 /nfs/dbraw/zinc/62/16/41/505621641.db2.gz YPTZUUZJRGPRAH-GXTWGEPZSA-N -1 3 357.211 3.006 20 0 FGADHM O=C(N[C@@H]1C[C@H]1c1ccc(Br)cc1)c1cccc2n[n-]nc21 ZINC000579791461 505621645 /nfs/dbraw/zinc/62/16/45/505621645.db2.gz YPTZUUZJRGPRAH-GXTWGEPZSA-N -1 3 357.211 3.006 20 0 FGADHM CC(C)=CCC[C@H](C)CC(=O)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000570968796 505622976 /nfs/dbraw/zinc/62/29/76/505622976.db2.gz WBNWMXPAWSRBGW-KRWDZBQOSA-N -1 3 358.482 3.449 20 0 FGADHM O=C(c1ccc(C(=O)N2CCO[C@H](C3CCC3)C2)cc1)c1cccc([O-])c1 ZINC000576923326 505625769 /nfs/dbraw/zinc/62/57/69/505625769.db2.gz BEIJSHCXSVTYMM-FQEVSTJZSA-N -1 3 365.429 3.264 20 0 FGADHM COc1ccccc1-c1nc(NC(=O)c2cccc3c2OCC3(C)C)n[n-]1 ZINC000571009505 505632125 /nfs/dbraw/zinc/63/21/25/505632125.db2.gz UYDIEHNKYSIIHA-UHFFFAOYSA-N -1 3 364.405 3.403 20 0 FGADHM O=C(NCCc1cn[nH]c1)c1c[n-]c2ccc(Oc3ccccc3)cc2c1=O ZINC000579846019 505632232 /nfs/dbraw/zinc/63/22/32/505632232.db2.gz OKAVWGOYTAVLTG-UHFFFAOYSA-N -1 3 374.400 3.016 20 0 FGADHM COC(=O)c1cc(C(=O)[N-]c2nc(-c3ccc(C)c(C)c3)cs2)no1 ZINC000576967389 505635585 /nfs/dbraw/zinc/63/55/85/505635585.db2.gz LEKDOALIEIHFPQ-UHFFFAOYSA-N -1 3 357.391 3.454 20 0 FGADHM Cc1cc([N-]S(=O)(=O)CCOCC2CC2)cc(F)c1Br ZINC000576976755 505637461 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CC[C@H]1C[C@H](NC(=O)c2ccc(C(=O)c3cccc([O-])c3)cc2)CCO1 ZINC000579944004 505650620 /nfs/dbraw/zinc/65/06/20/505650620.db2.gz GMINYWFVWGOOIB-MJGOQNOKSA-N -1 3 353.418 3.311 20 0 FGADHM Cc1nc(-c2ccc(NC(=O)N(CCO)[C@H]3CC[C@@H](C)C3)cc2)cc(=O)[n-]1 ZINC000577126953 505669554 /nfs/dbraw/zinc/66/95/54/505669554.db2.gz SCEADRNNKJHSJJ-DYVFJYSZSA-N -1 3 370.453 3.172 20 0 FGADHM Cc1cnc(N2CCN(Cc3cc([O-])cc(C(F)(F)F)c3)CC2)s1 ZINC000577152169 505674404 /nfs/dbraw/zinc/67/44/04/505674404.db2.gz AAXXRANJVLWJMI-UHFFFAOYSA-N -1 3 357.401 3.498 20 0 FGADHM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(C(N)=O)cc2F)cc1 ZINC000080781933 493777840 /nfs/dbraw/zinc/77/78/40/493777840.db2.gz PMBXOYZMRAUQCU-NSHDSACASA-N -1 3 350.415 3.239 20 0 FGADHM O=S(=O)([N-][C@@H](c1ccccc1)C(F)(F)F)c1ccc2c(c1)CCO2 ZINC000075789594 493778454 /nfs/dbraw/zinc/77/84/54/493778454.db2.gz LNIBJAYAKFWVAT-HNNXBMFYSA-N -1 3 357.353 3.203 20 0 FGADHM COc1ccccc1[C@@H](CNC(=O)c1ccc(C)cc1[O-])N1CCCC1 ZINC000057616198 493778470 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CCc1cc(=O)[n-]c(-c2ccc(N3CCC[C@@H]3c3cc(C)on3)nc2)n1 ZINC000068662862 493852570 /nfs/dbraw/zinc/85/25/70/493852570.db2.gz ZJAHPPCJMGGPMU-MRXNPFEDSA-N -1 3 351.410 3.032 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(NCCO[C@@H]3CCCC[C@@H]3C)nc2)n1 ZINC000068666541 493854023 /nfs/dbraw/zinc/85/40/23/493854023.db2.gz UIFXCIPUPSJHMT-WMLDXEAASA-N -1 3 356.470 3.402 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(NCCCc3ccc(OC)cc3)nc2)n1 ZINC000068669527 493854653 /nfs/dbraw/zinc/85/46/53/493854653.db2.gz IZLGRAYGYHGHKP-UHFFFAOYSA-N -1 3 364.449 3.448 20 0 FGADHM COCCCCC[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000058509405 493860966 /nfs/dbraw/zinc/86/09/66/493860966.db2.gz NCFMSFLJNYTCQW-UHFFFAOYSA-N -1 3 359.797 3.454 20 0 FGADHM O=c1ccc([N-]S(=O)(=O)c2cc(Br)ccc2Cl)c[nH]1 ZINC000580140486 505685615 /nfs/dbraw/zinc/68/56/15/505685615.db2.gz SZJCEFNQEWYSSE-UHFFFAOYSA-N -1 3 363.620 3.004 20 0 FGADHM CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)cc1 ZINC000049659709 493879347 /nfs/dbraw/zinc/87/93/47/493879347.db2.gz UOKSBNZSKKVRLY-UHFFFAOYSA-N -1 3 360.435 3.116 20 0 FGADHM COc1ccc(CCC(=O)Nc2ncccc2[O-])cc1Br ZINC000030516345 493893901 /nfs/dbraw/zinc/89/39/01/493893901.db2.gz DRJFDLOAVMKFOI-UHFFFAOYSA-N -1 3 351.200 3.130 20 0 FGADHM O=S(=O)([N-][C@@H]1CCOc2ccc(F)cc21)c1cc(F)ccc1Cl ZINC000068938060 493897863 /nfs/dbraw/zinc/89/78/63/493897863.db2.gz ZCSFPTHNSZTEKI-CYBMUJFWSA-N -1 3 359.781 3.420 20 0 FGADHM CC(C)CNC(=O)c1ccc(NC(=O)c2cc(-c3ccco3)[n-]n2)cc1 ZINC000058999734 493899308 /nfs/dbraw/zinc/89/93/08/493899308.db2.gz UFNDHXBTAJFNDD-UHFFFAOYSA-N -1 3 352.394 3.308 20 0 FGADHM CC(C)CNC(=O)c1ccc(NC(=O)c2cc(-c3ccco3)n[n-]2)cc1 ZINC000058999734 493899312 /nfs/dbraw/zinc/89/93/12/493899312.db2.gz UFNDHXBTAJFNDD-UHFFFAOYSA-N -1 3 352.394 3.308 20 0 FGADHM O=C(CSCc1cccc(Cl)c1)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000068961764 493900282 /nfs/dbraw/zinc/90/02/82/493900282.db2.gz DWPADIWMGLQVAC-UHFFFAOYSA-N -1 3 373.869 3.070 20 0 FGADHM O=C(CSCc1cccc(Cl)c1)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000068961764 493900286 /nfs/dbraw/zinc/90/02/86/493900286.db2.gz DWPADIWMGLQVAC-UHFFFAOYSA-N -1 3 373.869 3.070 20 0 FGADHM C[C@H]1C[C@H]1c1ccc(C[N-]S(=O)(=O)c2cnn(-c3ccccc3)c2)o1 ZINC000069040570 493910766 /nfs/dbraw/zinc/91/07/66/493910766.db2.gz BAXWXNLCROOXOM-SUMWQHHRSA-N -1 3 357.435 3.067 20 0 FGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(N(C)C(C)C)c(F)c1 ZINC000081561887 493916855 /nfs/dbraw/zinc/91/68/55/493916855.db2.gz SZQFXMNMTDAVCY-UHFFFAOYSA-N -1 3 364.446 3.036 20 0 FGADHM Cc1cc(N2CCSCC2)ccc1[N-]S(=O)(=O)c1cccc(F)c1 ZINC000050534796 493920240 /nfs/dbraw/zinc/92/02/40/493920240.db2.gz SPYKXRMHZHMMDZ-UHFFFAOYSA-N -1 3 366.483 3.488 20 0 FGADHM Cn1cnc(S(=O)(=O)[N-][C@H](c2ccccc2)c2ccc(Cl)cc2)c1 ZINC000069094009 493921115 /nfs/dbraw/zinc/92/11/15/493921115.db2.gz SIBHNYXDFWVMMX-QGZVFWFLSA-N -1 3 361.854 3.141 20 0 FGADHM COc1ccccc1-c1nc(NC(=O)CCCOCc2ccccc2)n[n-]1 ZINC000050604209 493923016 /nfs/dbraw/zinc/92/30/16/493923016.db2.gz IWMJSEOOOCORFC-UHFFFAOYSA-N -1 3 366.421 3.416 20 0 FGADHM O=C(Nc1nnc(-c2ccccn2)[n-]1)c1ccc(F)cc1Br ZINC000060354060 493925100 /nfs/dbraw/zinc/92/51/00/493925100.db2.gz QCMXVETZTKGHHB-UHFFFAOYSA-N -1 3 362.162 3.021 20 0 FGADHM O=C(Nc1nc(-c2ccccn2)n[n-]1)c1ccc(F)cc1Br ZINC000060354060 493925103 /nfs/dbraw/zinc/92/51/03/493925103.db2.gz QCMXVETZTKGHHB-UHFFFAOYSA-N -1 3 362.162 3.021 20 0 FGADHM O=C(Nc1n[n-]c(-c2ccccn2)n1)c1ccc(F)cc1Br ZINC000060354060 493925106 /nfs/dbraw/zinc/92/51/06/493925106.db2.gz QCMXVETZTKGHHB-UHFFFAOYSA-N -1 3 362.162 3.021 20 0 FGADHM CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)C(=O)c1ccc2n[n-]nc2c1 ZINC000050866947 493937685 /nfs/dbraw/zinc/93/76/85/493937685.db2.gz ISQDAQMWAHIOQD-QFBILLFUSA-N -1 3 350.422 3.198 20 0 FGADHM CC(C)COc1ccccc1C[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000060508713 493939990 /nfs/dbraw/zinc/93/99/90/493939990.db2.gz XRPLPBGJNYKUCS-UHFFFAOYSA-N -1 3 355.406 3.478 20 0 FGADHM CCc1cccc(C(=O)NCc2ccc(CN3CCCC3=O)cc2)c1[O-] ZINC000081754136 493951159 /nfs/dbraw/zinc/95/11/59/493951159.db2.gz QRKDZLGMLQWDSJ-UHFFFAOYSA-N -1 3 352.434 3.007 20 0 FGADHM CCCN1CCC([N-]S(=O)(=O)c2cc(Cl)sc2Cl)CC1 ZINC000061035312 493963578 /nfs/dbraw/zinc/96/35/78/493963578.db2.gz ILLYMRQKRJXZSZ-UHFFFAOYSA-N -1 3 357.328 3.208 20 0 FGADHM COc1ccc(OC)c([C@@H](C)NC(=O)c2cc(=O)c3ccccc3[n-]2)c1 ZINC000061223561 493969888 /nfs/dbraw/zinc/96/98/88/493969888.db2.gz PFZNKRNPXIJZIA-GFCCVEGCSA-N -1 3 352.390 3.036 20 0 FGADHM COC(=O)C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1C)c1cccs1 ZINC000032412435 493986997 /nfs/dbraw/zinc/98/69/97/493986997.db2.gz VYRDIHTUBIYFEJ-GFCCVEGCSA-N -1 3 373.883 3.293 20 0 FGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(NC(=O)c2cccs2)ccc1F ZINC000076921421 493988378 /nfs/dbraw/zinc/98/83/78/493988378.db2.gz LPBOXQIOPCBVRO-UHFFFAOYSA-N -1 3 356.444 3.216 20 0 FGADHM Cc1ccccc1C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000076921420 493988710 /nfs/dbraw/zinc/98/87/10/493988710.db2.gz GNXDJUAUZYNXLA-UHFFFAOYSA-N -1 3 364.442 3.463 20 0 FGADHM Cc1noc(C)c1S(=O)(=O)[N-]Cc1ccc(COc2ccccc2)cc1 ZINC000032443596 493988848 /nfs/dbraw/zinc/98/88/48/493988848.db2.gz MRXRGDBWZVYNLA-UHFFFAOYSA-N -1 3 372.446 3.349 20 0 FGADHM C[C@H]1CN(c2cccc(F)c2)CCN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000577238596 505693218 /nfs/dbraw/zinc/69/32/18/505693218.db2.gz FUGIEOSPHUOXGJ-AWEZNQCLSA-N -1 3 365.408 3.018 20 0 FGADHM Cc1cc([N-]C(=O)[C@@H](C)N2CCC(Oc3ccc(C)c(C)c3)CC2)on1 ZINC000051992347 493995983 /nfs/dbraw/zinc/99/59/83/493995983.db2.gz UIOCLQLWUGSDBY-MRXNPFEDSA-N -1 3 357.454 3.470 20 0 FGADHM CC(=O)c1ccc(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCCO3)cc1 ZINC000032632500 494001970 /nfs/dbraw/zinc/00/19/70/494001970.db2.gz MYHGADMWOIMBAT-UHFFFAOYSA-N -1 3 367.810 3.115 20 0 FGADHM O=S(=O)([N-]c1cc2c(cc1Cl)OCCO2)c1ccc(F)cc1F ZINC000032632515 494002329 /nfs/dbraw/zinc/00/23/29/494002329.db2.gz VZHVBXLGBHYYIF-UHFFFAOYSA-N -1 3 361.753 3.190 20 0 FGADHM COC(=O)c1c(C)nc(=O)[n-]c1SCCCOc1cc(C)cc(C)c1 ZINC000007319714 494015607 /nfs/dbraw/zinc/01/56/07/494015607.db2.gz QWHMNHWAGVTDKD-UHFFFAOYSA-N -1 3 362.451 3.043 20 0 FGADHM Cc1ccc(C(=O)NCc2ccccc2CN2CCCC2=O)c([O-])c1C ZINC000052431846 494025172 /nfs/dbraw/zinc/02/51/72/494025172.db2.gz RNBGAKYQWRPBHQ-UHFFFAOYSA-N -1 3 352.434 3.061 20 0 FGADHM CCc1cc2c(CNC3(c4noc(C)n4)CCCC3)cc(=O)oc2cc1[O-] ZINC000063511592 494061621 /nfs/dbraw/zinc/06/16/21/494061621.db2.gz DXYPKVOLSCXDJF-UHFFFAOYSA-N -1 3 369.421 3.312 20 0 FGADHM COc1ccc(OCCS(=O)(=O)[N-]c2cccc(SC)c2)cc1 ZINC000070878696 494064548 /nfs/dbraw/zinc/06/45/48/494064548.db2.gz VBQULKZRTWDGAX-UHFFFAOYSA-N -1 3 353.465 3.238 20 0 FGADHM CCC[C@H]([N-]S(=O)(=O)c1ccc(CNC(C)=O)s1)C1CCCCC1 ZINC000077390680 494074474 /nfs/dbraw/zinc/07/44/74/494074474.db2.gz RGFBFGFMYIZFJY-INIZCTEOSA-N -1 3 372.556 3.412 20 0 FGADHM CC(C)(CNC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)c1cccc(Cl)c1 ZINC000063784892 494088187 /nfs/dbraw/zinc/08/81/87/494088187.db2.gz RKOZNPWAYOCURU-UHFFFAOYSA-N -1 3 371.824 3.323 20 0 FGADHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H](C)Sc3ccccn3)c2)n1 ZINC000084969095 494110150 /nfs/dbraw/zinc/11/01/50/494110150.db2.gz FRRDQUYOOLEWSV-CYBMUJFWSA-N -1 3 366.446 3.260 20 0 FGADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)COc3ccc(F)cc3F)cc2)n1 ZINC000064342097 494115395 /nfs/dbraw/zinc/11/53/95/494115395.db2.gz HYZMOPXLKUBDHU-UHFFFAOYSA-N -1 3 371.343 3.041 20 0 FGADHM CN(C)[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)c1ccco1 ZINC000038630109 494115533 /nfs/dbraw/zinc/11/55/33/494115533.db2.gz STSOTTAUOJVNGY-LBPRGKRZSA-N -1 3 363.266 3.168 20 0 FGADHM COc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(OC)c(OC)c2)c1 ZINC000064374627 494118361 /nfs/dbraw/zinc/11/83/61/494118361.db2.gz CSADAADRDOPSSS-UHFFFAOYSA-N -1 3 357.815 3.167 20 0 FGADHM Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)[N-]O[C@@H]1CCCCO1 ZINC000072058869 494121531 /nfs/dbraw/zinc/12/15/31/494121531.db2.gz OLTVHFPOIDWFAX-CQSZACIVSA-N -1 3 367.808 3.220 20 0 FGADHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)CCC(=O)c3cccs3)c2)n1 ZINC000053469596 494135151 /nfs/dbraw/zinc/13/51/51/494135151.db2.gz NQEKFYUPTBXAAI-UHFFFAOYSA-N -1 3 367.430 3.408 20 0 FGADHM COc1nc2ccccc2cc1CN[C@@H](CSCC=C(C)C)C(=O)[O-] 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Cc1nn(C)c2sc(C(=O)[N-]c3nnc(-c4ccccn4)s3)cc12 ZINC000046756387 494562320 /nfs/dbraw/zinc/56/23/20/494562320.db2.gz QNNZFKJWPRBOPW-UHFFFAOYSA-N -1 3 356.436 3.109 20 0 FGADHM O=C(c1cc(F)ccc1[O-])N1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC000080022918 494571996 /nfs/dbraw/zinc/57/19/96/494571996.db2.gz MHJGKPQLVZIFGO-UHFFFAOYSA-N -1 3 366.396 3.336 20 0 FGADHM O=C(c1cc(F)ccc1[O-])N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000080022918 494572002 /nfs/dbraw/zinc/57/20/02/494572002.db2.gz MHJGKPQLVZIFGO-UHFFFAOYSA-N -1 3 366.396 3.336 20 0 FGADHM COc1ccc(COCCCNC(=O)Cc2ccc([O-])cc2Cl)cc1 ZINC000131394424 494604612 /nfs/dbraw/zinc/60/46/12/494604612.db2.gz SMVUXGGDICLIBH-UHFFFAOYSA-N -1 3 363.841 3.320 20 0 FGADHM O=S(=O)([N-][C@H]1CCOc2c(Cl)cccc21)c1ccc(F)c(F)c1 ZINC000057010485 494616598 /nfs/dbraw/zinc/61/65/98/494616598.db2.gz FNFPTGHXDUYQKG-AWEZNQCLSA-N -1 3 359.781 3.420 20 0 FGADHM C[C@@]1(C[N-]S(=O)(=O)c2ccc(Br)s2)CCCS1 ZINC000126057009 494620003 /nfs/dbraw/zinc/62/00/03/494620003.db2.gz 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372.787 3.114 20 0 FGADHM COc1ccccc1C(C)(C)CNC(=O)c1c[n-]c2ccccc2c1=O ZINC000116091078 494696934 /nfs/dbraw/zinc/69/69/34/494696934.db2.gz JKPLEZACMIEDKY-UHFFFAOYSA-N -1 3 350.418 3.244 20 0 FGADHM CCC1(O)CCN(C(=O)c2cc(OCc3ccccc3)ccc2[O-])CC1 ZINC000075135192 494698155 /nfs/dbraw/zinc/69/81/55/494698155.db2.gz IPEGDHHMOPTWFV-UHFFFAOYSA-N -1 3 355.434 3.348 20 0 FGADHM O=C(Nc1cccc(N2CCCCC2=O)c1)c1cc(-c2ccco2)[n-]n1 ZINC000025238395 494711509 /nfs/dbraw/zinc/71/15/09/494711509.db2.gz VANVPWNPUMOUOY-UHFFFAOYSA-N -1 3 350.378 3.439 20 0 FGADHM O=C(Nc1cccc(N2CCCCC2=O)c1)c1cc(-c2ccco2)n[n-]1 ZINC000025238395 494711513 /nfs/dbraw/zinc/71/15/13/494711513.db2.gz VANVPWNPUMOUOY-UHFFFAOYSA-N -1 3 350.378 3.439 20 0 FGADHM Cc1ccc([O-])c(CN2CCC[C@H](CNC(=O)Nc3cccc(F)c3)C2)n1 ZINC000092708952 494724194 /nfs/dbraw/zinc/72/41/94/494724194.db2.gz GBYVQEJXGIDGBW-OAHLLOKOSA-N -1 3 372.444 3.268 20 0 FGADHM Cc1c(C(=O)[O-])cnn1C1CCN(CCCOc2ccc(F)cc2)CC1 ZINC000574284400 505738136 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C[C@H](Oc1ccc(F)cc1Cl)C(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000112877644 495251307 /nfs/dbraw/zinc/25/13/07/495251307.db2.gz BGVUWINJTJKDLE-VIFPVBQESA-N -1 3 361.764 3.065 20 0 FGADHM C[C@H](Oc1ccc(F)cc1Cl)C(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000112877644 495251312 /nfs/dbraw/zinc/25/13/12/495251312.db2.gz BGVUWINJTJKDLE-VIFPVBQESA-N -1 3 361.764 3.065 20 0 FGADHM CCN1CCc2nc(NC(=O)c3c[n-]nc3-c3ccc(F)cc3)sc2C1 ZINC000124244724 495257109 /nfs/dbraw/zinc/25/71/09/495257109.db2.gz OLFDHKQSEMGDEL-UHFFFAOYSA-N -1 3 371.441 3.303 20 0 FGADHM COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)[N-][C@H]1CCCC[C@H]1C ZINC000568757071 505771729 /nfs/dbraw/zinc/77/17/29/505771729.db2.gz HHYCPLNAXOXXNF-MFKMUULPSA-N -1 3 374.890 3.164 20 0 FGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@@H](C)[C@H](C)c1ccccc1 ZINC000124425974 495285005 /nfs/dbraw/zinc/28/50/05/495285005.db2.gz QUNDCSCGCGZVOF-RYUDHWBXSA-N -1 3 353.465 3.005 20 0 FGADHM Cc1cc([C@H](C)NC(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)c(C)s1 ZINC000124524957 495301903 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/nfs/dbraw/zinc/99/21/52/495992152.db2.gz MEYGRGOMBUXDDF-UHFFFAOYSA-N -1 3 353.382 3.256 20 0 FGADHM COc1ccc2c(c1)CCC[C@@H]2CNC(=O)c1c[n-]nc1-c1ccccn1 ZINC000580696995 505816970 /nfs/dbraw/zinc/81/69/70/505816970.db2.gz UMLALDSCPGWJAI-OAHLLOKOSA-N -1 3 362.433 3.330 20 0 FGADHM CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)[N-]C(C)(C)C(F)(F)F)cc1 ZINC000568957614 505817562 /nfs/dbraw/zinc/81/75/62/505817562.db2.gz MMXLCZPQCFAPNF-UHFFFAOYSA-N -1 3 366.405 3.290 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)NCc3ccc(OC(C)C)nc3)c[n-]c12 ZINC000155601160 496009172 /nfs/dbraw/zinc/00/91/72/496009172.db2.gz OYISDFPTJGGKIA-UHFFFAOYSA-N -1 3 369.396 3.088 20 0 FGADHM CN(C)CCN(Cc1ccc(F)cc1)C(=O)c1cc(F)c([O-])c(F)c1 ZINC000183506614 496014381 /nfs/dbraw/zinc/01/43/81/496014381.db2.gz YWMPOKVYRGUPBU-UHFFFAOYSA-N -1 3 352.356 3.014 20 0 FGADHM CC(C)COC(=O)N1CCC(C(=O)N2CCCc3cccc([O-])c32)CC1 ZINC000155624954 496017346 /nfs/dbraw/zinc/01/73/46/496017346.db2.gz AKYHYTCTICFTMN-UHFFFAOYSA-N -1 3 360.454 3.176 20 0 FGADHM CC(C)CC[C@@H]1CCCN1C(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000155635541 496020452 /nfs/dbraw/zinc/02/04/52/496020452.db2.gz APHPFATVFHTXQT-AWEZNQCLSA-N -1 3 356.463 3.238 20 0 FGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C2C[C@@H](C)C[C@H](C)C2)cc1OC ZINC000183584040 496039177 /nfs/dbraw/zinc/03/91/77/496039177.db2.gz QLHDLHWIGLPKGK-STQMWFEESA-N -1 3 368.499 3.468 20 0 FGADHM COC(=O)[C@]1(C)CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000177393782 496043987 /nfs/dbraw/zinc/04/39/87/496043987.db2.gz BAIKZVPAWWAHQM-OAQYLSRUSA-N -1 3 353.418 3.008 20 0 FGADHM Cc1ccc(C[C@@H](NC(=O)c2cccc3nn[n-]c32)c2ccccn2)cc1 ZINC000183627862 496054459 /nfs/dbraw/zinc/05/44/59/496054459.db2.gz MXEMBRKVVAXXNX-LJQANCHMSA-N -1 3 357.417 3.375 20 0 FGADHM Cc1ccc(C[C@@H](NC(=O)c2cccc3[n-]nnc32)c2ccccn2)cc1 ZINC000183627862 496054460 /nfs/dbraw/zinc/05/44/60/496054460.db2.gz MXEMBRKVVAXXNX-LJQANCHMSA-N -1 3 357.417 3.375 20 0 FGADHM Cc1ccc(C[C@@H](NC(=O)c2cccc3n[n-]nc32)c2ccccn2)cc1 ZINC000183627862 496054464 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CC(C)CCN(CCC(C)C)C(=O)c1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000177649137 496145888 /nfs/dbraw/zinc/14/58/88/496145888.db2.gz LQJDNLLVEGEHMJ-OAQYLSRUSA-N -1 3 373.497 3.276 20 0 FGADHM C[C@@H]1CN(Cc2ccc(C(=O)Nc3cc(F)ccc3[O-])cc2)C[C@@H](C)O1 ZINC000174901965 496156427 /nfs/dbraw/zinc/15/64/27/496156427.db2.gz FAYUWQVHCGVUJC-ZIAGYGMSSA-N -1 3 358.413 3.393 20 0 FGADHM O=C(Nc1cc(F)ccc1[O-])[C@@H]1CCCN1c1ncnc2sccc21 ZINC000174905331 496157253 /nfs/dbraw/zinc/15/72/53/496157253.db2.gz PVHMDESSTHTBOB-ZDUSSCGKSA-N -1 3 358.398 3.144 20 0 FGADHM O=C(NCC1(N2CCSCC2)CCCCC1)c1cc(F)c([O-])c(F)c1 ZINC000186807981 496160875 /nfs/dbraw/zinc/16/08/75/496160875.db2.gz HJJQHMNZERXZDI-UHFFFAOYSA-N -1 3 370.465 3.152 20 0 FGADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C(C)=O)ccc2Cl)cc1 ZINC000177718135 496171213 /nfs/dbraw/zinc/17/12/13/496171213.db2.gz GGTGUFWIQVMLKW-UHFFFAOYSA-N -1 3 366.826 3.302 20 0 FGADHM O=S(=O)([N-]C[C@@H](CCO)c1ccccc1)c1ccccc1C(F)(F)F ZINC000177734293 496176769 /nfs/dbraw/zinc/17/67/69/496176769.db2.gz CWXVGBXJWLMXEY-CQSZACIVSA-N -1 3 373.396 3.150 20 0 FGADHM CCCCC1CCC(NC(=O)c2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)CC1 ZINC000177765969 496187316 /nfs/dbraw/zinc/18/73/16/496187316.db2.gz ZPSMBVDILRTLDG-FXMMLYEBSA-N -1 3 371.481 3.220 20 0 FGADHM O=C(c1c[n-]c2ccccc2c1=O)N1CC[C@H](c2c(F)cccc2F)C1 ZINC000184020573 496205892 /nfs/dbraw/zinc/20/58/92/496205892.db2.gz NAVYNPQLTDPZQA-LBPRGKRZSA-N -1 3 354.356 3.436 20 0 FGADHM CCOC(=O)c1cc(NC(=O)[C@H]2C[C@H]2c2ccccc2C(F)(F)F)n[n-]1 ZINC000180940117 496208389 /nfs/dbraw/zinc/20/83/89/496208389.db2.gz YCKQBIVVORQJLB-QWRGUYRKSA-N -1 3 367.327 3.347 20 0 FGADHM CCOC(=O)c1cc(NC(=O)[C@H]2C[C@H]2c2ccccc2C(F)(F)F)[n-]n1 ZINC000180940117 496208392 /nfs/dbraw/zinc/20/83/92/496208392.db2.gz YCKQBIVVORQJLB-QWRGUYRKSA-N -1 3 367.327 3.347 20 0 FGADHM CCCCOc1cc(OC)ccc1C(=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000184032649 496211045 /nfs/dbraw/zinc/21/10/45/496211045.db2.gz PUIKELVINRMUJT-UHFFFAOYSA-N -1 3 367.409 3.307 20 0 FGADHM CCCCOc1cc(OC)ccc1C(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000184032649 496211051 /nfs/dbraw/zinc/21/10/51/496211051.db2.gz PUIKELVINRMUJT-UHFFFAOYSA-N -1 3 367.409 3.307 20 0 FGADHM CCCCOc1cc(OC)ccc1C(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000184032649 496211056 /nfs/dbraw/zinc/21/10/56/496211056.db2.gz PUIKELVINRMUJT-UHFFFAOYSA-N -1 3 367.409 3.307 20 0 FGADHM CC(C)n1ccc(CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)n1 ZINC000172216246 496211851 /nfs/dbraw/zinc/21/18/51/496211851.db2.gz LJXPDPJBTNQNRZ-UHFFFAOYSA-N -1 3 366.450 3.179 20 0 FGADHM COC(=O)c1scc(C)c1[N-]C(=O)c1cnc([C@H]2CCCO2)s1 ZINC000186939911 496221627 /nfs/dbraw/zinc/22/16/27/496221627.db2.gz XWYPMVYRKZAAEZ-SECBINFHSA-N -1 3 352.437 3.403 20 0 FGADHM CC(=O)c1cccc(NC(=O)c2ccc(NC(=O)[C@@H]3C[C@H]3C)cc2)c1[O-] ZINC000577970077 505830903 /nfs/dbraw/zinc/83/09/03/505830903.db2.gz SDWVSBSZOOHSAA-BDJLRTHQSA-N -1 3 352.390 3.442 20 0 FGADHM CCON=C([O-])Nc1c(-c2ccc(Br)cc2)c(C)nn1C ZINC000184110876 496242673 /nfs/dbraw/zinc/24/26/73/496242673.db2.gz 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496296533 /nfs/dbraw/zinc/29/65/33/496296533.db2.gz ULRBFYCRBBGUNG-HIFRSBDPSA-N -1 3 371.886 3.142 20 0 FGADHM O=C(c1ccc([O-])cc1)N1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CC1 ZINC000156806472 496337888 /nfs/dbraw/zinc/33/78/88/496337888.db2.gz WQQYECQAIXIVJM-QXAKKESOSA-N -1 3 370.493 3.283 20 0 FGADHM Cc1cc(F)c(S(=O)(=O)[N-]Cc2coc(-c3cccs3)n2)cc1F ZINC000178123905 496338281 /nfs/dbraw/zinc/33/82/81/496338281.db2.gz DLNPLPSVOHBIAN-UHFFFAOYSA-N -1 3 370.402 3.468 20 0 FGADHM C[C@@H](O)C[C@H]1CCCN1Cc1nc(=O)c2cc(-c3ccccc3)sc2[n-]1 ZINC000153089695 496350123 /nfs/dbraw/zinc/35/01/23/496350123.db2.gz DVPRZZXZXUVJGO-UKRRQHHQSA-N -1 3 369.490 3.387 20 0 FGADHM Cc1cccc(S(=O)(=O)[N-]Cc2nc(C(F)(F)F)cs2)c1F ZINC000181319725 496351424 /nfs/dbraw/zinc/35/14/24/496351424.db2.gz FKSADFKDZFTXOM-UHFFFAOYSA-N -1 3 354.350 3.088 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)c3ccc(CSC)cc3)[n-]c21 ZINC000162443989 496354477 /nfs/dbraw/zinc/35/44/77/496354477.db2.gz ANFHJSMLFSEURQ-UHFFFAOYSA-N -1 3 355.419 3.465 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccc(CSC)cc3)nc21 ZINC000162443989 496354482 /nfs/dbraw/zinc/35/44/82/496354482.db2.gz ANFHJSMLFSEURQ-UHFFFAOYSA-N -1 3 355.419 3.465 20 0 FGADHM Cc1cccc2c(=O)c(C(=O)Nc3nnc(-c4ccccn4)s3)c[n-]c12 ZINC000162485453 496359656 /nfs/dbraw/zinc/35/96/56/496359656.db2.gz CXTCXQOACZKMJV-UHFFFAOYSA-N -1 3 363.402 3.415 20 0 FGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H]1CCCOc2cc(F)ccc21 ZINC000181392638 496376863 /nfs/dbraw/zinc/37/68/63/496376863.db2.gz CDZYVCXSUWXJFW-AWEZNQCLSA-N -1 3 373.428 3.159 20 0 FGADHM CCc1ccc(CC(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)cc1 ZINC000178349535 496422657 /nfs/dbraw/zinc/42/26/57/496422657.db2.gz CQAOEFPGPAIBSR-UHFFFAOYSA-N -1 3 366.461 3.374 20 0 FGADHM Cc1cc(Br)cc(C(=O)Nc2nnc(-c3ccccn3)[n-]2)c1 ZINC000162969108 496443246 /nfs/dbraw/zinc/44/32/46/496443246.db2.gz ZSERUFKHOQIGHR-UHFFFAOYSA-N -1 3 358.199 3.190 20 0 FGADHM Cc1cc(Br)cc(C(=O)Nc2nc(-c3ccccn3)n[n-]2)c1 ZINC000162969108 496443249 /nfs/dbraw/zinc/44/32/49/496443249.db2.gz ZSERUFKHOQIGHR-UHFFFAOYSA-N -1 3 358.199 3.190 20 0 FGADHM Cc1cc(Br)cc(C(=O)Nc2n[n-]c(-c3ccccn3)n2)c1 ZINC000162969108 496443254 /nfs/dbraw/zinc/44/32/54/496443254.db2.gz ZSERUFKHOQIGHR-UHFFFAOYSA-N -1 3 358.199 3.190 20 0 FGADHM Cc1ccc(F)c(S(=O)(=O)[N-]C2(Cc3ccccc3)CCOCC2)c1 ZINC000569075853 505845721 /nfs/dbraw/zinc/84/57/21/505845721.db2.gz OBSLKLWHUJEQJV-UHFFFAOYSA-N -1 3 363.454 3.204 20 0 FGADHM CCCOc1cn(-c2ccccc2)nc1C(=O)[N-]c1n[nH]c(C2CCC2)n1 ZINC000184621353 496468200 /nfs/dbraw/zinc/46/82/00/496468200.db2.gz XOCRDGDUHABDIH-UHFFFAOYSA-N -1 3 366.425 3.299 20 0 FGADHM CC[C@H](CNC(=O)NCc1ccc([O-])c(F)c1)Oc1cccc(F)c1 ZINC000175624468 496470989 /nfs/dbraw/zinc/47/09/89/496470989.db2.gz CGXCJAQNUFRDCI-CQSZACIVSA-N -1 3 350.365 3.327 20 0 FGADHM O=C(Cc1ccc([O-])cc1Cl)NCCNc1nc2ccccc2s1 ZINC000178485339 496471311 /nfs/dbraw/zinc/47/13/11/496471311.db2.gz ADXREHIMYLKHOQ-UHFFFAOYSA-N -1 3 361.854 3.426 20 0 FGADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@H](C)c1cc(C)sc1C ZINC000178507631 496480342 /nfs/dbraw/zinc/48/03/42/496480342.db2.gz PAVCEOGSYZIJBE-SNVBAGLBSA-N -1 3 371.455 3.330 20 0 FGADHM CC(C)CNC(=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)cc2[O-])C1 ZINC000153515912 496481407 /nfs/dbraw/zinc/48/14/07/496481407.db2.gz JLPBWHSVNLLIKM-LBPRGKRZSA-N -1 3 353.850 3.062 20 0 FGADHM O=C(Cc1ccccc1I)Nc1ccccc1[O-] ZINC000153530109 496486430 /nfs/dbraw/zinc/48/64/30/496486430.db2.gz KTGRQCYKYNDUGP-UHFFFAOYSA-N -1 3 353.159 3.178 20 0 FGADHM Cc1cccc2c(=O)n(CCC(=O)Nc3ccc(Cl)cc3[O-])cnc12 ZINC000153573529 496502878 /nfs/dbraw/zinc/50/28/78/496502878.db2.gz WSPMDBNRFUYUSV-UHFFFAOYSA-N -1 3 357.797 3.093 20 0 FGADHM Cc1nnc([C@@H](C)Sc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)s1 ZINC000181705500 496510254 /nfs/dbraw/zinc/51/02/54/496510254.db2.gz GDJDOLVUNMMMLS-SECBINFHSA-N -1 3 370.463 3.122 20 0 FGADHM O=C(Cc1cc2c(cc1Br)OCCO2)Nc1ccccc1[O-] ZINC000175709569 496510773 /nfs/dbraw/zinc/51/07/73/496510773.db2.gz NZSYPJLCNCHZAB-UHFFFAOYSA-N -1 3 364.195 3.107 20 0 FGADHM C[C@@H](COc1ccc(F)cc1F)NC(=O)NCc1ccc([O-])c(F)c1 ZINC000157627958 496517446 /nfs/dbraw/zinc/51/74/46/496517446.db2.gz OWGUUDRGYVVPDC-JTQLQIEISA-N -1 3 354.328 3.076 20 0 FGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@H](C)c1cccc(C)c1C ZINC000157634061 496519422 /nfs/dbraw/zinc/51/94/22/496519422.db2.gz INKTWMROPOZXGO-GFCCVEGCSA-N -1 3 353.465 3.191 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)c3ccc(F)c(SC)c3)[n-]c21 ZINC000153619461 496519952 /nfs/dbraw/zinc/51/99/52/496519952.db2.gz MTQNOVCGQARLPH-UHFFFAOYSA-N -1 3 359.382 3.463 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccc(F)c(SC)c3)nc21 ZINC000153619461 496519958 /nfs/dbraw/zinc/51/99/58/496519958.db2.gz MTQNOVCGQARLPH-UHFFFAOYSA-N -1 3 359.382 3.463 20 0 FGADHM CCc1ccc([O-])c(C(=O)N(C)Cc2cc(Br)cn2C)c1 ZINC000163497152 496523915 /nfs/dbraw/zinc/52/39/15/496523915.db2.gz CHCYGAYXMPKNBQ-UHFFFAOYSA-N -1 3 351.244 3.328 20 0 FGADHM CC(C)(C)C(=O)N1CCC(CSc2n[n-]c(-c3ccccn3)n2)CC1 ZINC000181764531 496534251 /nfs/dbraw/zinc/53/42/51/496534251.db2.gz 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3 371.397 3.001 20 0 FGADHM CCCc1c(C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)[nH]c(C)c1C(=O)OC ZINC000181878306 496583190 /nfs/dbraw/zinc/58/31/90/496583190.db2.gz BEARSDVPSYOSFZ-UHFFFAOYSA-N -1 3 371.397 3.001 20 0 FGADHM CC(C)[C@H](C(=O)N1CCN(C(=O)c2cccc([O-])c2)CC1)c1ccccc1 ZINC000175878368 496584676 /nfs/dbraw/zinc/58/46/76/496584676.db2.gz DXUXMVYLMZWBOW-FQEVSTJZSA-N -1 3 366.461 3.116 20 0 FGADHM Cc1ccc(-c2ccncc2)cc1NC(=O)c1cnc2c(cnn2C)c1[O-] ZINC000181902448 496593099 /nfs/dbraw/zinc/59/30/99/496593099.db2.gz MODFMXRKJLSZMG-UHFFFAOYSA-N -1 3 359.389 3.297 20 0 FGADHM CCN(CC)Cc1cccc([N-]S(=O)(=O)c2c(C)nn(C)c2Cl)c1 ZINC000153827692 496593520 /nfs/dbraw/zinc/59/35/20/496593520.db2.gz RNDHRDPTYSCEHV-UHFFFAOYSA-N -1 3 370.906 3.025 20 0 FGADHM O=S(=O)([N-]CCCc1ccccn1)c1cc(C(F)(F)F)ccc1F ZINC000178913343 496614204 /nfs/dbraw/zinc/61/42/04/496614204.db2.gz OSRUBNQHTZLNRR-UHFFFAOYSA-N -1 3 362.348 3.151 20 0 FGADHM O=S(=O)([N-][C@@H]1CCCC[C@@H]1CO)c1ccc(Cl)cc1C(F)(F)F ZINC000178919176 496616146 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COc1cccc(C[C@H](NCc2nc3cc(Cl)ccc3n2C)C(=O)[O-])c1 ZINC000277319405 496734605 /nfs/dbraw/zinc/73/46/05/496734605.db2.gz NUCWYNFTVKEGQY-INIZCTEOSA-N -1 3 373.840 3.021 20 0 FGADHM CCc1ccc(C(=O)N[C@H](C)c2noc(Cc3ccccc3)n2)c([O-])c1 ZINC000188274907 496737928 /nfs/dbraw/zinc/73/79/28/496737928.db2.gz BFQXCKQGNCGYGI-CYBMUJFWSA-N -1 3 351.406 3.419 20 0 FGADHM O=C(NC1CCN(C(=O)c2cc([O-])ccc2Cl)CC1)c1ccccc1 ZINC000277344552 496743370 /nfs/dbraw/zinc/74/33/70/496743370.db2.gz HJJCFAAXNQXHOA-UHFFFAOYSA-N -1 3 358.825 3.080 20 0 FGADHM CC(C)[C@H](SCc1ccccc1)C(=O)N1CCc2c(nc[n-]c2=O)C1 ZINC000273238318 496748845 /nfs/dbraw/zinc/74/88/45/496748845.db2.gz NPRGPLICQCDXFH-KRWDZBQOSA-N -1 3 357.479 3.025 20 0 FGADHM CS(=O)(=O)Cc1ccc(NC(=O)c2ccc3c(c2[O-])CCCC3)cc1 ZINC000273278288 496761804 /nfs/dbraw/zinc/76/18/04/496761804.db2.gz GGHRMBGAPBKRQK-UHFFFAOYSA-N -1 3 359.447 3.068 20 0 FGADHM COc1ccccc1C[C@H](CNCc1ccc(Br)o1)C(=O)[O-] ZINC000277412869 496765527 /nfs/dbraw/zinc/76/55/27/496765527.db2.gz 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CCN(CC(=O)OC)Cc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000264134757 496819989 /nfs/dbraw/zinc/81/99/89/496819989.db2.gz PBHGRHHPZOGLLE-UHFFFAOYSA-N -1 3 357.435 3.059 20 0 FGADHM CC(C)(CO)CCCNC(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000188580779 496839921 /nfs/dbraw/zinc/83/99/21/496839921.db2.gz XJMRVQMBHKBZBK-UHFFFAOYSA-N -1 3 355.434 3.152 20 0 FGADHM O=S(=O)([N-][C@@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1cncc(Cl)c1 ZINC000273561906 496840142 /nfs/dbraw/zinc/84/01/42/496840142.db2.gz YJSKWUCAELPCNI-GDBMZVCRSA-N -1 3 370.833 3.073 20 0 FGADHM CCC(C)(C)CNC(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000277651605 496841765 /nfs/dbraw/zinc/84/17/65/496841765.db2.gz MXCBRMJFIYPFQU-UHFFFAOYSA-N -1 3 357.476 3.015 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(OC3COC3)cc2)cc1Cl ZINC000188597099 496846065 /nfs/dbraw/zinc/84/60/65/496846065.db2.gz CNECDXRXXINFTC-UHFFFAOYSA-N -1 3 353.827 3.227 20 0 FGADHM CCc1ccc(C(=O)N[C@H](c2noc(C)n2)c2ccccc2OC)c([O-])c1 ZINC000191655481 496847467 /nfs/dbraw/zinc/84/74/67/496847467.db2.gz IMQOFOMXCFZYLT-SFHVURJKSA-N -1 3 367.405 3.174 20 0 FGADHM COc1ccc(C(=O)CC(C)(C)CC(=O)[N-]OCc2cccnc2)cc1 ZINC000273611569 496854098 /nfs/dbraw/zinc/85/40/98/496854098.db2.gz YHZDYRCPJCZBPZ-UHFFFAOYSA-N -1 3 356.422 3.327 20 0 FGADHM O=C(Nc1ccccc1[O-])C1CCN(C(=O)NC[C@@H]2CC=CCC2)CC1 ZINC000195239766 496856891 /nfs/dbraw/zinc/85/68/91/496856891.db2.gz YRHBJJVJYFOYMU-OAHLLOKOSA-N -1 3 357.454 3.109 20 0 FGADHM CCc1ccc(C(=O)N2CCC(C(=O)N3CCCCCC3)CC2)c([O-])c1 ZINC000188652554 496865931 /nfs/dbraw/zinc/86/59/31/496865931.db2.gz DYZKFBLBCSLEAR-UHFFFAOYSA-N -1 3 358.482 3.209 20 0 FGADHM COc1ccc(-c2nc(-c3ccccc3OCCN(C)C)no2)c([O-])c1 ZINC000273746947 496892916 /nfs/dbraw/zinc/89/29/16/496892916.db2.gz BTAQAHMFJPJQTO-UHFFFAOYSA-N -1 3 355.394 3.058 20 0 FGADHM C[C@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)Cc1ccc([O-])cc1Cl ZINC000247631288 496895987 /nfs/dbraw/zinc/89/59/87/496895987.db2.gz SUNJBUPJEBMEKE-IFXJQAMLSA-N -1 3 373.884 3.010 20 0 FGADHM COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)c1ccc2n[n-]nc2c1 ZINC000191835228 496904991 /nfs/dbraw/zinc/90/49/91/496904991.db2.gz CFFZADYHQPHMCS-SNVBAGLBSA-N -1 3 360.801 3.277 20 0 FGADHM O=C(c1ccc(C(=O)N(C[C@H]2CCOC2)C2CC2)cc1)c1cccc([O-])c1 ZINC000188795809 496911631 /nfs/dbraw/zinc/91/16/31/496911631.db2.gz RKQXCEOGPPNLER-OAHLLOKOSA-N -1 3 365.429 3.264 20 0 FGADHM C[C@@H]1CN(C(=O)c2ccc(C(=O)c3cccc([O-])c3)cc2)CC(C)(C)O1 ZINC000188817899 496917421 /nfs/dbraw/zinc/91/74/21/496917421.db2.gz YXDDYLAFGLRMEI-CQSZACIVSA-N -1 3 353.418 3.263 20 0 FGADHM CCc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)c([O-])c1 ZINC000188824815 496919812 /nfs/dbraw/zinc/91/98/12/496919812.db2.gz TVKSKHZWQWRQGD-MRXNPFEDSA-N -1 3 352.434 3.446 20 0 FGADHM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCO3)cc1 ZINC000195450758 496926833 /nfs/dbraw/zinc/92/68/33/496926833.db2.gz IWJVWSGAKPQTFS-UHFFFAOYSA-N -1 3 360.435 3.161 20 0 FGADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1ccc(OCc2ccccc2)nc1 ZINC000195485469 496937154 /nfs/dbraw/zinc/93/71/54/496937154.db2.gz VRBLPHSRRVVNBU-UHFFFAOYSA-N -1 3 363.299 3.050 20 0 FGADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1ccc(OCc2ccccc2)nc1 ZINC000195485469 496937158 /nfs/dbraw/zinc/93/71/58/496937158.db2.gz VRBLPHSRRVVNBU-UHFFFAOYSA-N -1 3 363.299 3.050 20 0 FGADHM CC1(C)C[C@@H](NC(=O)c2ccc(C(=O)c3cccc([O-])c3)cc2)CCO1 ZINC000188901442 496941252 /nfs/dbraw/zinc/94/12/52/496941252.db2.gz FCHLNUWOSRYICC-KRWDZBQOSA-N -1 3 353.418 3.311 20 0 FGADHM CCCCc1nc(C(=O)OCC)c(NC(=O)[C@H]2CCO[C@@H](CCC)C2)[n-]1 ZINC000191964065 496946410 /nfs/dbraw/zinc/94/64/10/496946410.db2.gz RMSWRGGSSSDMAR-KBPBESRZSA-N -1 3 365.474 3.463 20 0 FGADHM CCCCc1nc(NC(=O)[C@H]2CCO[C@@H](CCC)C2)c(C(=O)OCC)[n-]1 ZINC000191964065 496946413 /nfs/dbraw/zinc/94/64/13/496946413.db2.gz RMSWRGGSSSDMAR-KBPBESRZSA-N -1 3 365.474 3.463 20 0 FGADHM COc1cccc2sc(NC(=O)c3n[n-]nc3-c3ccccc3)nc21 ZINC000188923400 496949389 /nfs/dbraw/zinc/94/93/89/496949389.db2.gz SPOFHIPLEQJFQI-UHFFFAOYSA-N -1 3 351.391 3.342 20 0 FGADHM Cc1cc(C(=O)N[C@H]2CCCN([C@@H](C)c3ccccc3F)C2=O)ccc1[O-] ZINC000578163065 505876733 /nfs/dbraw/zinc/87/67/33/505876733.db2.gz LGFZPKBWKRRQAG-KSSFIOAISA-N -1 3 370.424 3.322 20 0 FGADHM COc1cc(C)cc(-c2nc(-c3cccnc3N3CCCC3)no2)c1[O-] ZINC000273953164 496970231 /nfs/dbraw/zinc/97/02/31/496970231.db2.gz OHDGVCCKQNMZPY-UHFFFAOYSA-N -1 3 352.394 3.421 20 0 FGADHM Cc1ccc(NC(=O)CN(C)C(=O)c2cc([O-])ccc2C(F)(F)F)cc1 ZINC000189003243 496974854 /nfs/dbraw/zinc/97/48/54/496974854.db2.gz RPYXAIWZFNFOPB-UHFFFAOYSA-N -1 3 366.339 3.430 20 0 FGADHM C[N-]S(=O)(=O)c1cc(-c2nc(C3(c4ccccc4)CCC3)no2)c(C)o1 ZINC000274018395 496993833 /nfs/dbraw/zinc/99/38/33/496993833.db2.gz OMGMAIXACZGSMW-UHFFFAOYSA-N -1 3 373.434 3.016 20 0 FGADHM COc1cc(C(=O)N2C[C@@H](C)O[C@@H](c3ccccc3)C2)cc(OC)c1[O-] ZINC000269928746 497026419 /nfs/dbraw/zinc/02/64/19/497026419.db2.gz KNMHDNLFIQUAAN-FZKQIMNGSA-N -1 3 357.406 3.012 20 0 FGADHM COc1cc(C(=O)N2CC[C@H](COCc3ccccc3)C2)cc(OC)c1[O-] ZINC000269930562 497026924 /nfs/dbraw/zinc/02/69/24/497026924.db2.gz LHFGDAQMDXUEIX-INIZCTEOSA-N -1 3 371.433 3.088 20 0 FGADHM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1nc(-c2ccc(F)c(F)c2)no1 ZINC000248513223 497028664 /nfs/dbraw/zinc/02/86/64/497028664.db2.gz DABZJPQEGABZKL-LKTVYLICSA-N -1 3 363.364 3.233 20 0 FGADHM C[C@@H]1CN(c2ccc(-c3nc(-c4ccc([O-])cc4)no3)cn2)C[C@@H](C)O1 ZINC000265058412 497039320 /nfs/dbraw/zinc/03/93/20/497039320.db2.gz UUTBKQDIEIRJNB-CHWSQXEVSA-N -1 3 352.394 3.118 20 0 FGADHM Cc1cc(C)c2c(=O)[n-]c(SCCOCC(F)(F)C(F)F)nc2n1 ZINC000189198876 497041434 /nfs/dbraw/zinc/04/14/34/497041434.db2.gz PXAOEHXOPXWZGN-UHFFFAOYSA-N -1 3 365.352 3.356 20 0 FGADHM O=C([N-]c1nc2c(s1)C(=O)CCC2)c1nc(Br)cs1 ZINC000192261183 497052755 /nfs/dbraw/zinc/05/27/55/497052755.db2.gz VZQXYDRACYJRQE-UHFFFAOYSA-N -1 3 358.242 3.133 20 0 FGADHM COC(=O)[C@@H](C)CN(C)Cc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000265140652 497055789 /nfs/dbraw/zinc/05/57/89/497055789.db2.gz QCTOONPBISNBPK-LBPRGKRZSA-N -1 3 371.462 3.305 20 0 FGADHM CCCC1CCC(N(C)C(=O)c2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)CC1 ZINC000192268816 497056870 /nfs/dbraw/zinc/05/68/70/497056870.db2.gz GIICKXUOFZVOPX-KDDGLUCOSA-N -1 3 371.481 3.172 20 0 FGADHM Cc1ccccc1Cc1noc(CN2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)n1 ZINC000248613585 497058326 /nfs/dbraw/zinc/05/83/26/497058326.db2.gz YIOUNSJIWBLQJY-ULQDDVLXSA-N -1 3 355.438 3.187 20 0 FGADHM COc1cc(C(=O)N[C@H]2CCO[C@H](c3ccccc3)C2)cc(OC)c1[O-] ZINC000274327833 497071146 /nfs/dbraw/zinc/07/11/46/497071146.db2.gz ZAQWKIARCWPSSF-HOTGVXAUSA-N -1 3 357.406 3.060 20 0 FGADHM COc1cccc(C(=O)N2CCC[C@H]2Cn2cnc3ccccc32)c1[O-] ZINC000270219258 497080083 /nfs/dbraw/zinc/08/00/83/497080083.db2.gz KGRZUHBYFHSEGB-AWEZNQCLSA-N -1 3 351.406 3.055 20 0 FGADHM Cc1cc(=O)[n-]c([C@H](C)N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)n1 ZINC000248706207 497083499 /nfs/dbraw/zinc/08/34/99/497083499.db2.gz ARMFINRBDCGPBK-NWDGAFQWSA-N -1 3 355.364 3.104 20 0 FGADHM Cc1cc(F)c(S(=O)(=O)[N-][C@H](C)c2ccc([S@](C)=O)cc2)cc1F ZINC000270260588 497088798 /nfs/dbraw/zinc/08/87/98/497088798.db2.gz ZMGHNCOBSMCUAB-BGJPBQGDSA-N -1 3 373.446 3.050 20 0 FGADHM CC(C)(C)c1cc(NC(=O)CNC(=O)c2cccc([O-])c2)n(C(C)(C)C)n1 ZINC000274415314 497092993 /nfs/dbraw/zinc/09/29/93/497092993.db2.gz CNEMDOOMAZODOX-UHFFFAOYSA-N -1 3 372.469 3.010 20 0 FGADHM COc1ccc(NCc2cc([O-])cc(F)c2)cc1-n1nnnc1C1CC1 ZINC000274420117 497093996 /nfs/dbraw/zinc/09/39/96/497093996.db2.gz JZVSUDRLLGQTJA-UHFFFAOYSA-N -1 3 355.373 3.005 20 0 FGADHM C[C@@H]1CC[C@@H](C[N-]S(=O)(=O)c2ccc(F)cc2Br)C1 ZINC000230517780 497104730 /nfs/dbraw/zinc/10/47/30/497104730.db2.gz PQEWSIIWNAXCHW-NXEZZACHSA-N -1 3 350.253 3.303 20 0 FGADHM C[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000231751974 497110204 /nfs/dbraw/zinc/11/02/04/497110204.db2.gz ISBWVAORSQPNAU-ZCFIWIBFSA-N -1 3 364.158 3.207 20 0 FGADHM O=S(=O)([N-]c1cc(F)ccc1Cl)c1cncc(Br)c1 ZINC000231833536 497110226 /nfs/dbraw/zinc/11/02/26/497110226.db2.gz YARBKBBFOGYBDB-UHFFFAOYSA-N -1 3 365.611 3.437 20 0 FGADHM Cc1cc(=O)[n-]c([C@H](C)N(C)CCc2ccc(Br)cc2)n1 ZINC000192579470 497155972 /nfs/dbraw/zinc/15/59/72/497155972.db2.gz AUWVAEXUQVGGLN-LBPRGKRZSA-N -1 3 350.260 3.489 20 0 FGADHM COC(=O)CCSCc1cccc(NC([O-])=NO[C@@H]2CCCCO2)c1 ZINC000274762174 497159857 /nfs/dbraw/zinc/15/98/57/497159857.db2.gz FCQGPKUGEKMCSD-MRXNPFEDSA-N -1 3 368.455 3.063 20 0 FGADHM COC(=O)CCSCc1cccc(NC(=O)[N-]O[C@@H]2CCCCO2)c1 ZINC000274762174 497159860 /nfs/dbraw/zinc/15/98/60/497159860.db2.gz FCQGPKUGEKMCSD-MRXNPFEDSA-N -1 3 368.455 3.063 20 0 FGADHM CCCCCc1nnc(NC(=O)c2cc(OC)c([O-])c(OC)c2)s1 ZINC000270609396 497160601 /nfs/dbraw/zinc/16/06/01/497160601.db2.gz NWHGMYLOEMIXNH-UHFFFAOYSA-N -1 3 351.428 3.246 20 0 FGADHM Cn1c2ccccc2nc1N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000270616310 497162436 /nfs/dbraw/zinc/16/24/36/497162436.db2.gz ZLCCHJCBTFFOMV-UHFFFAOYSA-N -1 3 350.422 3.134 20 0 FGADHM CCC(CC)(CC(=O)NC[C@H](C1CC1)N(C)Cc1ccccc1)C(=O)[O-] ZINC000274776509 497163049 /nfs/dbraw/zinc/16/30/49/497163049.db2.gz KQGIXBPCEVTJQR-GOSISDBHSA-N -1 3 360.498 3.294 20 0 FGADHM [O-]C(=NO[C@H]1CCCCO1)Nc1ccc(OCc2noc(C3CC3)n2)cc1 ZINC000274819553 497174321 /nfs/dbraw/zinc/17/43/21/497174321.db2.gz XQVFJPGCKKQGRL-INIZCTEOSA-N -1 3 374.397 3.106 20 0 FGADHM O=C([N-]O[C@H]1CCCCO1)Nc1ccc(OCc2noc(C3CC3)n2)cc1 ZINC000274819553 497174328 /nfs/dbraw/zinc/17/43/28/497174328.db2.gz XQVFJPGCKKQGRL-INIZCTEOSA-N -1 3 374.397 3.106 20 0 FGADHM Cc1ccc(NC(=O)c2ccc(C(=O)c3cccc([O-])c3)cc2)cc1C(N)=O ZINC000189593160 497175547 /nfs/dbraw/zinc/17/55/47/497175547.db2.gz VKLUAVXNNSAGTB-UHFFFAOYSA-N -1 3 374.396 3.283 20 0 FGADHM Cc1ccc(NC(=O)C2CC2)cc1[N-]S(=O)(=O)c1ccc(N(C)C)cc1 ZINC000278638056 497176007 /nfs/dbraw/zinc/17/60/07/497176007.db2.gz IOTNTUORKGKNNS-UHFFFAOYSA-N -1 3 373.478 3.210 20 0 FGADHM COc1ccc(Oc2ccc(NC([O-])=NO[C@@H]3CCCCO3)cn2)cc1 ZINC000274844634 497180106 /nfs/dbraw/zinc/18/01/06/497180106.db2.gz PLKVJNPRHMRELW-QGZVFWFLSA-N -1 3 359.382 3.462 20 0 FGADHM COc1ccc(Oc2ccc(NC(=O)[N-]O[C@@H]3CCCCO3)cn2)cc1 ZINC000274844634 497180111 /nfs/dbraw/zinc/18/01/11/497180111.db2.gz PLKVJNPRHMRELW-QGZVFWFLSA-N -1 3 359.382 3.462 20 0 FGADHM COc1ccc([C@@H]2CCN(C(=O)c3cc(OC)c([O-])c(OC)c3)C2)cc1 ZINC000270693153 497181383 /nfs/dbraw/zinc/18/13/83/497181383.db2.gz KGFOOCYAIBKJKE-CQSZACIVSA-N -1 3 357.406 3.048 20 0 FGADHM CC[C@@H](C)N(CC(=O)[O-])C(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000237043500 497184633 /nfs/dbraw/zinc/18/46/33/497184633.db2.gz BQNGLSFTQGEAFJ-IAGOWNOFSA-N -1 3 360.498 3.041 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C[C@H](N)c3ccccc3)c2)n1 ZINC000237111018 497192574 /nfs/dbraw/zinc/19/25/74/497192574.db2.gz AXJPLTVFFFHBDI-SFHVURJKSA-N -1 3 362.433 3.028 20 0 FGADHM CC(C)COC(=O)Nc1cccc([N-]S(=O)(=O)C[C@H]2CCCCO2)c1 ZINC000265843564 497192669 /nfs/dbraw/zinc/19/26/69/497192669.db2.gz DSXSRBNRJDRYPE-MRXNPFEDSA-N -1 3 370.471 3.202 20 0 FGADHM CS(=O)(=O)[N-]c1cc(NC(=O)C2(c3ccc(F)cc3)CC2)ccc1F ZINC000192781147 497213293 /nfs/dbraw/zinc/21/32/93/497213293.db2.gz LXKFTVAFUIONSQ-UHFFFAOYSA-N -1 3 366.389 3.007 20 0 FGADHM Cc1noc([C@@H]2CCCN([C@H](C(=O)[O-])c3ccccc3C(F)(F)F)C2)n1 ZINC000581016886 505891987 /nfs/dbraw/zinc/89/19/87/505891987.db2.gz KHGGLLOUOPTGRU-RISCZKNCSA-N -1 3 369.343 3.402 20 0 FGADHM Cc1ccc2cc(CN3CCN(C(=O)c4ccc([O-])cc4)CC3)ccc2n1 ZINC000189721084 497223056 /nfs/dbraw/zinc/22/30/56/497223056.db2.gz NPXMWDPOTCLMQW-UHFFFAOYSA-N -1 3 361.445 3.207 20 0 FGADHM CC1(C)CN(Cc2c([O-])nnn2-c2ccccc2)CC[C@@H]1C(F)(F)F ZINC000189808425 497251890 /nfs/dbraw/zinc/25/18/90/497251890.db2.gz QOLZJGZXPGQLDE-AWEZNQCLSA-N -1 3 354.376 3.383 20 0 FGADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCC[C@@]12CCOC2=O ZINC000275215746 497257474 /nfs/dbraw/zinc/25/74/74/497257474.db2.gz GKPJTRHRKUSIBC-FQEVSTJZSA-N -1 3 353.374 3.106 20 0 FGADHM Cc1ccc([O-])c(CN2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)n1 ZINC000581039431 505895761 /nfs/dbraw/zinc/89/57/61/505895761.db2.gz RJQAIAPTCRWVJI-ZDUSSCGKSA-N -1 3 353.344 3.163 20 0 FGADHM Cc1c(C(=O)[N-]c2nc(-c3cccs3)nn2C)oc2c1C(=O)CCC2 ZINC000193201239 497322854 /nfs/dbraw/zinc/32/28/54/497322854.db2.gz KABRHMSIWNMMPE-UHFFFAOYSA-N -1 3 356.407 3.216 20 0 FGADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCC[C@@H](Oc2ncccc2F)C1 ZINC000279159542 497351994 /nfs/dbraw/zinc/35/19/94/497351994.db2.gz BGVSFKBEBGYENO-CYBMUJFWSA-N -1 3 367.380 3.158 20 0 FGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@H](C)c1cccc(C)c1C ZINC000190093983 497354389 /nfs/dbraw/zinc/35/43/89/497354389.db2.gz FYFJNAKPSXEZIT-CYBMUJFWSA-N -1 3 367.492 3.499 20 0 FGADHM COc1ccc([C@@H](OC)[C@H](C)NC(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000271472278 497357242 /nfs/dbraw/zinc/35/72/42/497357242.db2.gz HFQSRJRCTUHCRL-SGTLLEGYSA-N -1 3 362.401 3.115 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1nc2ccccc2s1)c1nc2c(s1)CCC2 ZINC000572151737 505901849 /nfs/dbraw/zinc/90/18/49/505901849.db2.gz ATAFQYCRKBYSFA-VIFPVBQESA-N -1 3 365.505 3.281 20 0 FGADHM O[C@H]1CCN(Cc2ccccc2CN=c2nc(C3CCCCC3)[n-]s2)C1 ZINC000581064961 505902483 /nfs/dbraw/zinc/90/24/83/505902483.db2.gz DMKZWHHOYHEKMF-SFHVURJKSA-N -1 3 372.538 3.186 20 0 FGADHM CCCc1ccccc1NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000193556303 497412475 /nfs/dbraw/zinc/41/24/75/497412475.db2.gz RCUXBINGTQZPRA-UHFFFAOYSA-N -1 3 367.449 3.335 20 0 FGADHM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000261694117 497434444 /nfs/dbraw/zinc/43/44/44/497434444.db2.gz NYIHPHNSGKEFCP-KMUNFCNLSA-N -1 3 354.809 3.135 20 0 FGADHM Cn1cc(CNC(=O)c2cc([O-])ccc2C(F)(F)F)c(C(F)(F)F)n1 ZINC000193646137 497436461 /nfs/dbraw/zinc/43/64/61/497436461.db2.gz BTLPEESXVCKXQQ-UHFFFAOYSA-N -1 3 367.249 3.093 20 0 FGADHM O=S(=O)([N-][C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1cc(Cl)ccc1Cl ZINC000245521924 497438829 /nfs/dbraw/zinc/43/88/29/497438829.db2.gz CJJFYGOCUIWASS-LERXQTSPSA-N -1 3 362.278 3.229 20 0 FGADHM O=C(N[C@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1cc([O-])ccc1C(F)(F)F ZINC000193679978 497444981 /nfs/dbraw/zinc/44/49/81/497444981.db2.gz ZCNSEXCFIVDERM-CQDKDKBSSA-N -1 3 355.356 3.489 20 0 FGADHM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2CCN(C)C)c1 ZINC000275846575 497446555 /nfs/dbraw/zinc/44/65/55/497446555.db2.gz VODCTGWBHHUYPP-UHFFFAOYSA-N -1 3 360.479 3.184 20 0 FGADHM CC[C@@](C)(O)CN(Cc1ccccc1)C(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000275926545 497465293 /nfs/dbraw/zinc/46/52/93/497465293.db2.gz NGVJNZITEHAHGY-OAQYLSRUSA-N -1 3 370.449 3.154 20 0 FGADHM CSCCON=C([O-])Nc1ccc(C(=O)N2CCC(C)CC2)cc1C ZINC000279636950 497494514 /nfs/dbraw/zinc/49/45/14/497494514.db2.gz AEZSPCDQDQFFBX-UHFFFAOYSA-N -1 3 365.499 3.283 20 0 FGADHM CSCCO[N-]C(=O)Nc1ccc(C(=O)N2CCC(C)CC2)cc1C ZINC000279636950 497494516 /nfs/dbraw/zinc/49/45/16/497494516.db2.gz AEZSPCDQDQFFBX-UHFFFAOYSA-N -1 3 365.499 3.283 20 0 FGADHM Cn1nc(-c2ccc(Cl)s2)cc1NC([O-])=NO[C@H]1CCCCO1 ZINC000279713496 497517783 /nfs/dbraw/zinc/51/77/83/497517783.db2.gz LDSRWPZRVKXEDV-ZDUSSCGKSA-N -1 3 356.835 3.382 20 0 FGADHM Cc1c(Cl)cccc1NC(=O)[C@H](C)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000262189119 497522260 /nfs/dbraw/zinc/52/22/60/497522260.db2.gz QXWXOUJOQWHOJO-ZJNRKIDTSA-N -1 3 350.846 3.162 20 0 FGADHM COC(=O)c1ccc(C(=O)[N-]c2cc(Br)c(F)cc2F)o1 ZINC000190604955 497542435 /nfs/dbraw/zinc/54/24/35/497542435.db2.gz PPKTVLOAEYBMQD-UHFFFAOYSA-N -1 3 360.110 3.359 20 0 FGADHM O=C(c1cc([O-])ccc1C(F)(F)F)N1CCCN(CC(F)(F)F)CC1 ZINC000276380314 497559422 /nfs/dbraw/zinc/55/94/22/497559422.db2.gz DJMSZSYYXZLADH-UHFFFAOYSA-N -1 3 370.293 3.121 20 0 FGADHM COc1cc(C(=O)N2CC[C@H](C(F)(F)F)C(C)(C)C2)cc(OC)c1[O-] ZINC000190678843 497570072 /nfs/dbraw/zinc/57/00/72/497570072.db2.gz NTSXGNHSQNTCGE-ZDUSSCGKSA-N -1 3 361.360 3.460 20 0 FGADHM CCOC(=O)c1cc2cc(NC(=O)[N-]OC[C@@H]3CCOC3)ccc2s1 ZINC000276426197 497570759 /nfs/dbraw/zinc/57/07/59/497570759.db2.gz RQQVVODIDOAWKN-LLVKDONJSA-N -1 3 364.423 3.168 20 0 FGADHM O=C(c1c([O-])cccc1O)N1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000272230602 497570937 /nfs/dbraw/zinc/57/09/37/497570937.db2.gz MBBFLQSMRZEPKA-AWEZNQCLSA-N -1 3 370.453 3.283 20 0 FGADHM O=C(c1cc(Cl)c2ccccc2c1[O-])N1CCN(C2CCOCC2)CC1 ZINC000267534890 497573937 /nfs/dbraw/zinc/57/39/37/497573937.db2.gz XVSQKXBFWFWNEF-UHFFFAOYSA-N -1 3 374.868 3.136 20 0 FGADHM CCc1ccc(C(=O)N2CCC(NC(=O)c3ccc(C)s3)CC2)c([O-])c1 ZINC000190691430 497574955 /nfs/dbraw/zinc/57/49/55/497574955.db2.gz DNIPXRVRWDKYPZ-UHFFFAOYSA-N -1 3 372.490 3.359 20 0 FGADHM O=C([N-]OC[C@@H]1CCOC1)Nc1cccc(NC(=O)Nc2ccccc2)c1 ZINC000276471742 497582185 /nfs/dbraw/zinc/58/21/85/497582185.db2.gz YTWOUNXXKTXFRA-CQSZACIVSA-N -1 3 370.409 3.420 20 0 FGADHM O=C([O-])C1(NC(=O)C2CCN(Cc3ccccc3)CC2)CCCCCC1 ZINC000262731266 497610247 /nfs/dbraw/zinc/61/02/47/497610247.db2.gz HFVBHDCJTFFKFH-UHFFFAOYSA-N -1 3 358.482 3.192 20 0 FGADHM CC[C@@](C)(O)CN(Cc1ccccc1)C(=O)NCc1ccc([O-])c(F)c1 ZINC000190819624 497612914 /nfs/dbraw/zinc/61/29/14/497612914.db2.gz ZIZPYVZTUYHCOG-HXUWFJFHSA-N -1 3 360.429 3.404 20 0 FGADHM COCc1nc(S[C@@H](C(=O)OC)c2ccc(Cl)c(Cl)c2)n[n-]1 ZINC000276635199 497616923 /nfs/dbraw/zinc/61/69/23/497616923.db2.gz 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CC(C)[C@@H]1C[C@@H](CC(=O)N2CCc3c(=O)[n-]cnc3C2)c2ccccc21 ZINC000280271954 497703943 /nfs/dbraw/zinc/70/39/43/497703943.db2.gz OOEJFZKOBLKMFS-KSSFIOAISA-N -1 3 351.450 3.384 20 0 FGADHM Cc1nc(CCNCc2cc(F)ccc2Br)sc1C(=O)[O-] ZINC000277005887 497713610 /nfs/dbraw/zinc/71/36/10/497713610.db2.gz LZGCNLRJLBSNDW-UHFFFAOYSA-N -1 3 373.247 3.384 20 0 FGADHM Cc1sc([C@H](C)[N-]S(=O)(=O)C2COC2)nc1-c1ccc(Cl)cc1 ZINC000277022328 497719113 /nfs/dbraw/zinc/71/91/13/497719113.db2.gz HMWOOQDKRXRFNC-VIFPVBQESA-N -1 3 372.899 3.151 20 0 FGADHM O=C(NC1(c2nc[nH]n2)CCC1)c1cc(CCc2ccccc2)ccc1[O-] ZINC000581169599 505925713 /nfs/dbraw/zinc/92/57/13/505925713.db2.gz IQYVGLSYUSIXGO-UHFFFAOYSA-N -1 3 362.433 3.105 20 0 FGADHM O=S(=O)(Cc1noc2ccccc21)[N-]C[C@H]1CCC2(CCCCC2)O1 ZINC000277094394 497740293 /nfs/dbraw/zinc/74/02/93/497740293.db2.gz RZSIFNIVJUMCRQ-CQSZACIVSA-N -1 3 364.467 3.129 20 0 FGADHM Cc1cc2c(nc(-c3cnn4c3nccc4C(F)(F)F)[n-]c2=O)s1 ZINC000194697412 497742848 /nfs/dbraw/zinc/74/28/48/497742848.db2.gz 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CC(C)C[C@H](CNCc1cn(-c2ccc(Cl)cc2Cl)nn1)C(=O)[O-] ZINC000263451538 497784289 /nfs/dbraw/zinc/78/42/89/497784289.db2.gz ASJOSIHBOIRCNQ-LLVKDONJSA-N -1 3 371.268 3.411 20 0 FGADHM CC(C)(C)CNC(=O)c1sccc1S(=O)(=O)[N-]Cc1cccs1 ZINC000194830474 497785285 /nfs/dbraw/zinc/78/52/85/497785285.db2.gz JKAVMQJSVPGCKV-UHFFFAOYSA-N -1 3 372.537 3.064 20 0 FGADHM C[C@@H]1C[C@@H](CCNC(=O)NCc2ccc([O-])c(Br)c2)CCO1 ZINC000273026435 497786324 /nfs/dbraw/zinc/78/63/24/497786324.db2.gz BHYKSKYIWLRPBR-NEPJUHHUSA-N -1 3 371.275 3.159 20 0 FGADHM Cc1cccc([C@H](NCc2ccc(-n3cncn3)c(C)c2)C(=O)[O-])c1C ZINC000277289124 497795600 /nfs/dbraw/zinc/79/56/00/497795600.db2.gz MIWUJNDEFMONKZ-IBGZPJMESA-N -1 3 350.422 3.108 20 0 FGADHM O=C(Nc1ccccc1[O-])C1CCN(C(=O)Nc2cccc(Cl)n2)CC1 ZINC000273085399 497797215 /nfs/dbraw/zinc/79/72/15/497797215.db2.gz BILFRODXLNXUHR-UHFFFAOYSA-N -1 3 374.828 3.323 20 0 FGADHM C[C@]1(C(=O)[O-])CCN([C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)C1 ZINC000263563424 497800534 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20 0 FGADHM Cc1ccc(C[C@H]2CCCN(C(=O)c3c[n-]c4ccncc4c3=O)C2)cc1 ZINC000569434662 505933674 /nfs/dbraw/zinc/93/36/74/505933674.db2.gz WWZMPRNWLWWDEG-QGZVFWFLSA-N -1 3 361.445 3.326 20 0 FGADHM CSCCON=C([O-])Nc1ncc(Cc2ccc(F)c(F)c2)s1 ZINC000280653113 497843777 /nfs/dbraw/zinc/84/37/77/497843777.db2.gz WMKFPDGIDLGMLW-UHFFFAOYSA-N -1 3 359.423 3.428 20 0 FGADHM CSCCO[N-]C(=O)Nc1ncc(Cc2ccc(F)c(F)c2)s1 ZINC000280653113 497843780 /nfs/dbraw/zinc/84/37/80/497843780.db2.gz WMKFPDGIDLGMLW-UHFFFAOYSA-N -1 3 359.423 3.428 20 0 FGADHM CC[C@H]1Oc2cc([C@H](C)NCc3cc(=O)[n-]c(C4CC4)n3)ccc2NC1=O ZINC000578419345 505935023 /nfs/dbraw/zinc/93/50/23/505935023.db2.gz BTHNYRCQJJYDKU-MEDUHNTESA-N -1 3 368.437 3.020 20 0 FGADHM Cc1nc(C)c(CCC(=O)Nc2cn(C)nc2C2CCCCC2)c(=O)[n-]1 ZINC000295897566 497846519 /nfs/dbraw/zinc/84/65/19/497846519.db2.gz XDZVNMWXGBJXER-UHFFFAOYSA-N -1 3 357.458 3.152 20 0 FGADHM CCOc1ccc(-c2nc(CS(=O)(=O)c3nc(C)c(C)[n-]3)co2)cc1 ZINC000295924175 497855774 /nfs/dbraw/zinc/85/57/74/497855774.db2.gz NCEPMIHPBLSZGR-UHFFFAOYSA-N -1 3 361.423 3.054 20 0 FGADHM Cn1ccc(S(=O)(=O)[N-][C@H](c2ccc(Cl)cc2)C2CCCC2)n1 ZINC000569452573 505939253 /nfs/dbraw/zinc/93/92/53/505939253.db2.gz WEXUSJRPYWLPPP-INIZCTEOSA-N -1 3 353.875 3.283 20 0 FGADHM O=c1cc(CN2CCC3(CC2)OCCc2ccsc23)nc(C2CC2)[n-]1 ZINC000578439964 505939877 /nfs/dbraw/zinc/93/98/77/505939877.db2.gz KNVFHHDJAZGEAF-UHFFFAOYSA-N -1 3 357.479 3.185 20 0 FGADHM C[C@H](SCc1cc(=O)[n-]c(-c2ccccc2)n1)C(=O)N1CCCCC1 ZINC000569458122 505940263 /nfs/dbraw/zinc/94/02/63/505940263.db2.gz NBUBFIWJDHBDQD-AWEZNQCLSA-N -1 3 357.479 3.483 20 0 FGADHM O=C([N-]c1nnc(CC(F)(F)F)s1)c1cncc(C(F)(F)F)c1 ZINC000288708958 497875508 /nfs/dbraw/zinc/87/55/08/497875508.db2.gz YXGVFDNPWHGMFU-UHFFFAOYSA-N -1 3 356.251 3.309 20 0 FGADHM CC[C@@](C)(NCc1nc(=O)c2c(-c3ccco3)csc2[n-]1)C(=O)OC ZINC000299637587 497876538 /nfs/dbraw/zinc/87/65/38/497876538.db2.gz KHIWDHVAYBBRHG-QGZVFWFLSA-N -1 3 361.423 3.088 20 0 FGADHM 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ZINC000301286038 498039537 /nfs/dbraw/zinc/03/95/37/498039537.db2.gz MQTJDXMIHXPJFQ-UHFFFAOYSA-N -1 3 367.883 3.340 20 0 FGADHM O=C([O-])c1cnc2cc3c(cc2c1N1CCC[C@@]2(CCCOC2)C1)OCO3 ZINC000569579589 505969102 /nfs/dbraw/zinc/96/91/02/505969102.db2.gz OGSRMAWXSMQVQT-HXUWFJFHSA-N -1 3 370.405 3.059 20 0 FGADHM O=C(N=c1cc2ccccn2[n-]1)N1CCn2c(cc3cc(Cl)ccc32)C1 ZINC000569639342 505981749 /nfs/dbraw/zinc/98/17/49/505981749.db2.gz SOPCCPIIVHOAOU-UHFFFAOYSA-N -1 3 365.824 3.412 20 0 FGADHM Cc1cc(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Br)oc1C ZINC000569591332 505972271 /nfs/dbraw/zinc/97/22/71/505972271.db2.gz INNWTLQMSNPTRJ-UHFFFAOYSA-N -1 3 366.137 3.092 20 0 FGADHM COc1ccc(CNc2cc3n(n2)CCCC3)c(Br)c1[O-] ZINC000285418538 498078508 /nfs/dbraw/zinc/07/85/08/498078508.db2.gz GJYYHFBROQPXGC-UHFFFAOYSA-N -1 3 352.232 3.308 20 0 FGADHM COc1ccc2c(c1)C=C(S(=O)(=O)[N-]c1cn(C)nc1C(C)C)CC2 ZINC000281292173 498092364 /nfs/dbraw/zinc/09/23/64/498092364.db2.gz YCNFPVPTSNINIM-UHFFFAOYSA-N -1 3 361.467 3.281 20 0 FGADHM CCc1cccc(NC(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)c1 ZINC000281294966 498092768 /nfs/dbraw/zinc/09/27/68/498092768.db2.gz HLZQMTIKWIDLJJ-UHFFFAOYSA-N -1 3 357.376 3.171 20 0 FGADHM CC[C@@](C)([N-]S(=O)(=O)c1ccc(NC(=O)C(C)C)cc1)C(F)(F)F ZINC000575514816 505979486 /nfs/dbraw/zinc/97/94/86/505979486.db2.gz OTDWINMWFCWISO-CQSZACIVSA-N -1 3 366.405 3.290 20 0 FGADHM CN(C)c1nc(-c2nc(Cc3c[nH]c4cc(Cl)ccc34)no2)cc(=O)[n-]1 ZINC000575555131 505981045 /nfs/dbraw/zinc/98/10/45/505981045.db2.gz GVAKFVFBZXAAMY-UHFFFAOYSA-N -1 3 370.800 3.024 20 0 FGADHM CCn1cnc(S(=O)(=O)[N-][C@H]2C[C@H](c3ccc(C(F)(F)F)cc3)C2)c1 ZINC000581407449 505981188 /nfs/dbraw/zinc/98/11/88/505981188.db2.gz GWEIPDAMFIYREA-MQMHXKEQSA-N -1 3 373.400 3.146 20 0 FGADHM CCC[C@H](CC)S(=O)(=O)[N-]c1cnn(-c2cnc3ccccc3n2)c1 ZINC000572487629 505981194 /nfs/dbraw/zinc/98/11/94/505981194.db2.gz MJODQOSGGZHPAQ-AWEZNQCLSA-N -1 3 359.455 3.136 20 0 FGADHM COc1cc(-c2noc([C@@H]3CC(=O)N(C)[C@@H]3c3cccs3)n2)ccc1[O-] ZINC000350579275 498119480 /nfs/dbraw/zinc/11/94/80/498119480.db2.gz NYIBZGCZZJBBPC-BZNIZROVSA-N -1 3 371.418 3.199 20 0 FGADHM Cc1nnc(COCc2nc(-c3ccc([O-])c4ccccc34)no2)s1 ZINC000350580991 498119614 /nfs/dbraw/zinc/11/96/14/498119614.db2.gz LWXHQGSJYNWOHF-UHFFFAOYSA-N -1 3 354.391 3.472 20 0 FGADHM CC(C)(C)c1ccc(NC(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)c([O-])c1 ZINC000330395673 498124857 /nfs/dbraw/zinc/12/48/57/498124857.db2.gz JYTVKJLKMXIRBW-JTQLQIEISA-N -1 3 358.360 3.039 20 0 FGADHM CCCC(=O)N1CCCC[C@@H]1C(=O)Nc1cc(Br)ccc1[O-] ZINC000330485376 498140978 /nfs/dbraw/zinc/14/09/78/498140978.db2.gz AHKDZIWVXDSNDO-CYBMUJFWSA-N -1 3 369.259 3.274 20 0 FGADHM Cc1c2ccccc2oc1-c1noc(-c2cncc([N-]S(C)(=O)=O)c2)n1 ZINC000350850222 498144069 /nfs/dbraw/zinc/14/40/69/498144069.db2.gz VYUXMRPTLWBPDH-UHFFFAOYSA-N -1 3 370.390 3.225 20 0 FGADHM C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CC[C@H](c2ccccc2)[C@H]1C ZINC000578634900 505986007 /nfs/dbraw/zinc/98/60/07/505986007.db2.gz NOFJJHNZECEJAS-QINHECLXSA-N -1 3 366.461 3.268 20 0 FGADHM C[C@H](c1cn(-c2ccccc2)nn1)N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000578635548 505986323 /nfs/dbraw/zinc/98/63/23/505986323.db2.gz IFJWHEGLNZXWOE-ATZDWAIDSA-N -1 3 362.433 3.129 20 0 FGADHM CCn1cc(C(=O)[N-]c2ncn(C3CCCCC3)n2)c(C(F)(F)F)n1 ZINC000281447123 498153379 /nfs/dbraw/zinc/15/33/79/498153379.db2.gz FTBARDWXQZEMMP-UHFFFAOYSA-N -1 3 356.352 3.271 20 0 FGADHM CCC(=O)c1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C)c2nnc(C)s2)c1 ZINC000281454445 498156609 /nfs/dbraw/zinc/15/66/09/498156609.db2.gz LBZNDHDJNKPKLY-QMMMGPOBSA-N -1 3 373.887 3.132 20 0 FGADHM CC(C)[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)CCO1 ZINC000330625624 498161085 /nfs/dbraw/zinc/16/10/85/498161085.db2.gz HTNHHKLYQJEPFC-GXTWGEPZSA-N -1 3 352.283 3.475 20 0 FGADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](c1ccc(Cl)cc1)[C@H]1CCOC1 ZINC000364861327 498179049 /nfs/dbraw/zinc/17/90/49/498179049.db2.gz SFVZGDXQSJSHMF-ZFWWWQNUSA-N -1 3 370.858 3.001 20 0 FGADHM Cc1noc([C@H](C)[N-]S(=O)(=O)c2c(C)cc(C(C)(C)C)cc2C)n1 ZINC000330770979 498190054 /nfs/dbraw/zinc/19/00/54/498190054.db2.gz BQJIEHWVLIQZEZ-LBPRGKRZSA-N -1 3 351.472 3.332 20 0 FGADHM COC(C)(C)C[C@H](C)[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000330897681 498214526 /nfs/dbraw/zinc/21/45/26/498214526.db2.gz OKKJEVHDOIOZJN-VIFPVBQESA-N -1 3 368.268 3.070 20 0 FGADHM Cc1nc([C@H]2CCCOC2)sc1-c1nc(-c2ccc3n[n-]nc3c2)no1 ZINC000351462153 498225161 /nfs/dbraw/zinc/22/51/61/498225161.db2.gz NLEXPPYCDRJDOU-NSHDSACASA-N -1 3 368.422 3.334 20 0 FGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)c1cnn(C(C)C)c1 ZINC000578701812 506000060 /nfs/dbraw/zinc/00/00/60/506000060.db2.gz MRLZIIXQNVCGGY-LLVKDONJSA-N -1 3 357.863 3.166 20 0 FGADHM Cc1nc(C)c(S(=O)(=O)[N-]C[C@H]2CCCC[C@H]2C(F)(F)F)s1 ZINC000331219084 498276912 /nfs/dbraw/zinc/27/69/12/498276912.db2.gz SJFIQSAQSLOTJN-GHMZBOCLSA-N -1 3 356.435 3.407 20 0 FGADHM Cc1ccc2c(ncc(C(=O)[O-])c2N2C[C@H](C)O[C@@]3(CCCOC3)C2)c1C ZINC000572606237 506009960 /nfs/dbraw/zinc/00/99/60/506009960.db2.gz KIDYQDJBHJRLEN-QKKBWIMNSA-N -1 3 370.449 3.324 20 0 FGADHM C[C@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)c3ccccc32)c2c([O-])cccc21 ZINC000286145795 498304362 /nfs/dbraw/zinc/30/43/62/498304362.db2.gz RNHFPXNBTUGAMJ-XJKSGUPXSA-N -1 3 371.458 3.194 20 0 FGADHM CCCCOc1ccc(C(=O)N2CCC[C@H]2Cn2nc(C)nc2C)c([O-])c1 ZINC000365123673 498307713 /nfs/dbraw/zinc/30/77/13/498307713.db2.gz HQVPSKUAGAVGPD-INIZCTEOSA-N -1 3 372.469 3.084 20 0 FGADHM CCCCOc1ccc(C(=O)N2CCC(c3noc(C)n3)CC2)c([O-])c1 ZINC000365126138 498310293 /nfs/dbraw/zinc/31/02/93/498310293.db2.gz PYXQQCIYACHSEB-UHFFFAOYSA-N -1 3 359.426 3.282 20 0 FGADHM O=C(c1cc([O-])ccc1C(F)(F)F)N1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000286163524 498311083 /nfs/dbraw/zinc/31/10/83/498311083.db2.gz IETUCLDPGLRPMY-LDYMZIIASA-N -1 3 371.277 3.044 20 0 FGADHM C[C@@H](CCc1ccc(Br)cc1)NC(=O)Cc1cncc([O-])c1 ZINC000581565234 506016632 /nfs/dbraw/zinc/01/66/32/506016632.db2.gz DYAPDVZIBJYXFZ-LBPRGKRZSA-N -1 3 363.255 3.230 20 0 FGADHM CCOc1cc(-c2noc(-c3ccnc(NC(=O)C(C)C)c3)n2)ccc1[O-] ZINC000293246823 498319913 /nfs/dbraw/zinc/31/99/13/498319913.db2.gz RUGBEEXTFNVGJH-UHFFFAOYSA-N -1 3 368.393 3.497 20 0 FGADHM CC(C)(C)c1ccc(NC(=O)c2cccnc2N2CCOCC2)c([O-])c1 ZINC000331406488 498321398 /nfs/dbraw/zinc/32/13/98/498321398.db2.gz OKRCZHICGROCBG-UHFFFAOYSA-N -1 3 355.438 3.174 20 0 FGADHM C[C@@H]1CCN(C(=O)NCc2nnc(C(F)(F)F)[n-]2)[C@H](c2ccco2)C1 ZINC000331462047 498339582 /nfs/dbraw/zinc/33/95/82/498339582.db2.gz NLTZAETTWVDBTI-ZJUUUORDSA-N -1 3 357.336 3.099 20 0 FGADHM C[C@@H]1CCN(C(=O)NCc2n[n-]c(C(F)(F)F)n2)[C@H](c2ccco2)C1 ZINC000331462047 498339589 /nfs/dbraw/zinc/33/95/89/498339589.db2.gz NLTZAETTWVDBTI-ZJUUUORDSA-N -1 3 357.336 3.099 20 0 FGADHM C[C@@H]1CCN(C(=O)NCc2nc(C(F)(F)F)n[n-]2)[C@H](c2ccco2)C1 ZINC000331462047 498339597 /nfs/dbraw/zinc/33/95/97/498339597.db2.gz NLTZAETTWVDBTI-ZJUUUORDSA-N -1 3 357.336 3.099 20 0 FGADHM Cc1ccc(C(=O)N2CC[C@H](C(=O)N(C)c3ccccc3)C2)c([O-])c1C ZINC000281985310 498344197 /nfs/dbraw/zinc/34/41/97/498344197.db2.gz ZKNXDEIFPAHKTH-INIZCTEOSA-N -1 3 352.434 3.134 20 0 FGADHM Cc1ccc([C@@H]2OCCC[C@H]2[N-]S(=O)(=O)c2cncc(Cl)c2)cc1 ZINC000331481870 498345635 /nfs/dbraw/zinc/34/56/35/498345635.db2.gz XKZSPZCHUDQIQP-SJORKVTESA-N -1 3 366.870 3.242 20 0 FGADHM CC(=O)N(c1ccc(NC([O-])=NOCc2cccnc2)cc1)[C@H]1C[C@H]1C ZINC000297231143 498367540 /nfs/dbraw/zinc/36/75/40/498367540.db2.gz WNXRJCREUJUDHL-ACJLOTCBSA-N -1 3 354.410 3.096 20 0 FGADHM CC(=O)N(c1ccc(NC(=O)[N-]OCc2cccnc2)cc1)[C@H]1C[C@H]1C ZINC000297231143 498367548 /nfs/dbraw/zinc/36/75/48/498367548.db2.gz WNXRJCREUJUDHL-ACJLOTCBSA-N -1 3 354.410 3.096 20 0 FGADHM Cc1cccc([C@@H]2CCCN2C(=O)N=c2cc(OC(F)F)n(C)[n-]2)c1 ZINC000331574563 498378278 /nfs/dbraw/zinc/37/82/78/498378278.db2.gz RERBOQUHKKBCOF-ZDUSSCGKSA-N -1 3 350.369 3.121 20 0 FGADHM O=S(=O)(Cc1ccccc1C(F)(F)F)[N-]Cc1cnc(Cl)s1 ZINC000289987621 498383405 /nfs/dbraw/zinc/38/34/05/498383405.db2.gz VNVWGKYSBPOUJP-UHFFFAOYSA-N -1 3 370.805 3.435 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)o1 ZINC000331599600 498388618 /nfs/dbraw/zinc/38/86/18/498388618.db2.gz VEBICGHXPXUZFR-GOEBONIOSA-N -1 3 372.849 3.104 20 0 FGADHM Cn1[n-]c(=NC(=O)N2CCC[C@@](C)(c3ccccc3)C2)cc1OC(F)F ZINC000331609418 498391813 /nfs/dbraw/zinc/39/18/13/498391813.db2.gz MYWQPIMKTFBFDJ-GOSISDBHSA-N -1 3 364.396 3.029 20 0 FGADHM COC(=O)c1cnc(SCc2noc(-c3cccc(Cl)c3)n2)[n-]1 ZINC000365314500 498401951 /nfs/dbraw/zinc/40/19/51/498401951.db2.gz GBJGSCXVQJOYTM-UHFFFAOYSA-N -1 3 350.787 3.192 20 0 FGADHM CCOc1cc(CNCc2nnc(C(C)C)[nH]2)cc(Br)c1[O-] ZINC000297337175 498411300 /nfs/dbraw/zinc/41/13/00/498411300.db2.gz DWVCRWPHPFYVDW-UHFFFAOYSA-N -1 3 369.263 3.085 20 0 FGADHM Cc1cc(C(=O)N=c2[nH][n-]c(-c3ccncc3)c2C)nn1-c1ccc(C)cc1 ZINC000361776856 498430183 /nfs/dbraw/zinc/43/01/83/498430183.db2.gz WYDGKYVOPQXNCN-UHFFFAOYSA-N -1 3 372.432 3.257 20 0 FGADHM CC[C@H](C)CO[N-]C(=O)[C@H]1CCCN(C(=O)Nc2ccccc2F)C1 ZINC000293660364 498445039 /nfs/dbraw/zinc/44/50/39/498445039.db2.gz HQAWHIPYAKGSNA-KBPBESRZSA-N -1 3 351.422 3.164 20 0 FGADHM COc1cccc(C(=O)N2CCC(c3nc4c(cccc4F)[nH]3)CC2)c1[O-] ZINC000365398159 498446654 /nfs/dbraw/zinc/44/66/54/498446654.db2.gz IPOXJMBWKZHFGX-UHFFFAOYSA-N -1 3 369.396 3.436 20 0 FGADHM N[C@H](C(=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1)c1ccccc1 ZINC000578869366 506040663 /nfs/dbraw/zinc/04/06/63/506040663.db2.gz LASFNVNHRWLIIE-IBGZPJMESA-N -1 3 367.449 3.093 20 0 FGADHM Cc1nc(C2([N-]S(=O)(=O)c3ccc(C(F)F)cc3)CCCCC2)no1 ZINC000286694441 498478931 /nfs/dbraw/zinc/47/89/31/498478931.db2.gz QTRNLRULYABGMK-UHFFFAOYSA-N -1 3 371.409 3.454 20 0 FGADHM C[C@@H]1Oc2cc(F)ccc2[C@@H]1[N-]S(=O)(=O)Cc1ccc(F)cc1F ZINC000572747660 506043265 /nfs/dbraw/zinc/04/32/65/506043265.db2.gz YZSAWOBRVSQALF-XXFAHNHDSA-N -1 3 357.353 3.046 20 0 FGADHM CSc1ccc(C(=O)N2CCC[C@@H]2c2nncn2CC(C)C)c([O-])c1 ZINC000365516694 498507103 /nfs/dbraw/zinc/50/71/03/498507103.db2.gz YGTCOXYSBQWNBX-OAHLLOKOSA-N -1 3 360.483 3.339 20 0 FGADHM CN1C[C@@H](C(=O)Nc2cc(C(F)(F)F)ccc2[O-])c2ccccc2C1=O ZINC000365514826 498507681 /nfs/dbraw/zinc/50/76/81/498507681.db2.gz QPMLSEBFDWJENZ-CYBMUJFWSA-N -1 3 364.323 3.219 20 0 FGADHM CSc1ccc(C(=O)N2CCC(n3cc(Cl)cn3)CC2)c([O-])c1 ZINC000365521642 498510586 /nfs/dbraw/zinc/51/05/86/498510586.db2.gz KJPIQYFLOYADJP-UHFFFAOYSA-N -1 3 351.859 3.441 20 0 FGADHM C[C@H]1CN(C(=O)C(C)(C)C)C[C@H](C)N1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000293884397 498522332 /nfs/dbraw/zinc/52/23/32/498522332.db2.gz FWBAORHUFMBFJB-KBPBESRZSA-N -1 3 369.465 3.048 20 0 FGADHM O=C(c1csc(=O)[n-]1)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000365548638 498526776 /nfs/dbraw/zinc/52/67/76/498526776.db2.gz QSZBMTYROMWEKY-CYBMUJFWSA-N -1 3 356.407 3.266 20 0 FGADHM Cc1nc([C@H]2CCCOC2)sc1C(=O)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000581706952 506049017 /nfs/dbraw/zinc/04/90/17/506049017.db2.gz QQOZNAXXKZMYPR-AWEZNQCLSA-N -1 3 368.462 3.410 20 0 FGADHM O=S(=O)([N-]C[C@@H](c1ccccc1)C(F)(F)F)c1cccc2c1OCO2 ZINC000572782851 506050325 /nfs/dbraw/zinc/05/03/25/506050325.db2.gz BOSUOMQNLFUHEG-LBPRGKRZSA-N -1 3 373.352 3.040 20 0 FGADHM CC(C)(CO)ON=C([O-])Nc1ccc(C(F)(F)F)cc1Br ZINC000297843143 498584820 /nfs/dbraw/zinc/58/48/20/498584820.db2.gz SEUKCIAGPXCNBL-UHFFFAOYSA-N -1 3 371.153 3.292 20 0 FGADHM CC(C)(CO)O[N-]C(=O)Nc1ccc(C(F)(F)F)cc1Br ZINC000297843143 498584825 /nfs/dbraw/zinc/58/48/25/498584825.db2.gz SEUKCIAGPXCNBL-UHFFFAOYSA-N -1 3 371.153 3.292 20 0 FGADHM O=C(c1ccc([O-])cc1)N1CCN(c2ccnc3c(F)cccc23)CC1 ZINC000302716496 498543436 /nfs/dbraw/zinc/54/34/36/498543436.db2.gz YIEYHNFACGWOEB-UHFFFAOYSA-N -1 3 351.381 3.042 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N3CC4(CCOCC4)[C@@H]3C3CC3)c[n-]c12 ZINC000293999666 498557977 /nfs/dbraw/zinc/55/79/77/498557977.db2.gz CZIMSUZQDAYNHZ-IBGZPJMESA-N -1 3 370.424 3.419 20 0 FGADHM Cc1cc(C(=O)N2CCN(C(=O)c3cccc([O-])c3)CC2)c(C)cc1Cl ZINC000332099347 498560885 /nfs/dbraw/zinc/56/08/85/498560885.db2.gz DQNNWNHNTJILLE-UHFFFAOYSA-N -1 3 372.852 3.261 20 0 FGADHM CC(C)OCc1cc(NC(=O)Nc2nc3c(s2)COCC3)ccc1[O-] ZINC000290478416 498567332 /nfs/dbraw/zinc/56/73/32/498567332.db2.gz QXFPPQZZMZGOFJ-UHFFFAOYSA-N -1 3 363.439 3.490 20 0 FGADHM COCCCON=C([O-])Nc1cccc2cc(Br)cnc21 ZINC000287028167 498598316 /nfs/dbraw/zinc/59/83/16/498598316.db2.gz GVNZFFFPEJVHFM-UHFFFAOYSA-N -1 3 354.204 3.087 20 0 FGADHM COCCCO[N-]C(=O)Nc1cccc2cc(Br)cnc21 ZINC000287028167 498598322 /nfs/dbraw/zinc/59/83/22/498598322.db2.gz GVNZFFFPEJVHFM-UHFFFAOYSA-N -1 3 354.204 3.087 20 0 FGADHM O=C(N[C@@H]1CCN(c2cccc(Cl)c2)C1)c1cc(=O)c2ccccc2[n-]1 ZINC000363041436 498617663 /nfs/dbraw/zinc/61/76/63/498617663.db2.gz QYXVFEZGYBQDEN-CQSZACIVSA-N -1 3 367.836 3.190 20 0 FGADHM O=C(Cc1cncc([O-])c1)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000578973706 506065151 /nfs/dbraw/zinc/06/51/51/506065151.db2.gz RSDOYIOUTPFGCU-UHFFFAOYSA-N -1 3 353.403 3.282 20 0 FGADHM CC(C)OCc1cc(NC(=O)c2cnc(OCC3CC3)cn2)ccc1[O-] ZINC000290653583 498633903 /nfs/dbraw/zinc/63/39/03/498633903.db2.gz RCMRQBKVIDBLAJ-UHFFFAOYSA-N -1 3 357.410 3.148 20 0 FGADHM Cc1cccc(C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)c1[O-] ZINC000302970174 498634379 /nfs/dbraw/zinc/63/43/79/498634379.db2.gz QXEJNZISYJRHIR-UHFFFAOYSA-N -1 3 374.462 3.128 20 0 FGADHM CC(C)CO[C@@H](C)c1noc(CN(C)Cc2c(F)ccc([O-])c2F)n1 ZINC000294336068 498660613 /nfs/dbraw/zinc/66/06/13/498660613.db2.gz RVCFVYDXBXQGJI-NSHDSACASA-N -1 3 355.385 3.419 20 0 FGADHM O=C([N-]c1c2ccccc2oc1C(=O)c1ccco1)c1cc2n(n1)CCO2 ZINC000365847608 498668641 /nfs/dbraw/zinc/66/86/41/498668641.db2.gz NNMCXEXNTKSWHX-UHFFFAOYSA-N -1 3 363.329 3.098 20 0 FGADHM CCCCOCCOCc1cccc(NC(=O)[N-]OCCCOC)c1 ZINC000287208913 498673754 /nfs/dbraw/zinc/67/37/54/498673754.db2.gz ZQYRNYMJXKMRNJ-UHFFFAOYSA-N -1 3 354.447 3.110 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cn(C)nc3C3CC3)c2)n1 ZINC000290778074 498676297 /nfs/dbraw/zinc/67/62/97/498676297.db2.gz RQUSKQRZULTCTJ-UHFFFAOYSA-N -1 3 363.421 3.275 20 0 FGADHM CCOc1cc(CN2CC[C@@H](O)C(C)(C)C2)cc(Br)c1[O-] ZINC000298153834 498680428 /nfs/dbraw/zinc/68/04/28/498680428.db2.gz RWCZMGAAXUZHRZ-CQSZACIVSA-N -1 3 358.276 3.146 20 0 FGADHM C[C@H](OCCc1ccccc1)C(=O)N(C)Cc1nc2ccsc2c(=O)[n-]1 ZINC000294409019 498685708 /nfs/dbraw/zinc/68/57/08/498685708.db2.gz KYKBQQKMMVBWIF-ZDUSSCGKSA-N -1 3 371.462 3.003 20 0 FGADHM CCc1cc(C(=O)N[C@@H](c2noc(C)n2)c2ccccc2OC)ccc1[O-] ZINC000365886310 498687933 /nfs/dbraw/zinc/68/79/33/498687933.db2.gz ISXUTMKSOCJBDZ-GOSISDBHSA-N -1 3 367.405 3.174 20 0 FGADHM COc1cc(OC)c(CCNC(=O)c2cc([O-])ccc2Cl)c(OC)c1 ZINC000290826677 498691694 /nfs/dbraw/zinc/69/16/94/498691694.db2.gz PCOTXJQAENVOKX-UHFFFAOYSA-N -1 3 365.813 3.044 20 0 FGADHM CC(C)(C)C(=O)CCCC(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000294462607 498699892 /nfs/dbraw/zinc/69/98/92/498699892.db2.gz PQVAPDVQUPESSE-UHFFFAOYSA-N -1 3 374.481 3.355 20 0 FGADHM CCOc1cc(C(=O)N2C[C@H]3CCCCN3C[C@H]2C)cc(Cl)c1[O-] ZINC000332530307 498715569 /nfs/dbraw/zinc/71/55/69/498715569.db2.gz VBKCCSBAYHRKCP-TZMCWYRMSA-N -1 3 352.862 3.143 20 0 FGADHM CC(C)OC(=O)C[C@H]1CCCN(C(=O)c2cc3c(cc2[O-])CCCC3)C1 ZINC000332535445 498716122 /nfs/dbraw/zinc/71/61/22/498716122.db2.gz YARQZDMWZJTQRV-OAHLLOKOSA-N -1 3 359.466 3.465 20 0 FGADHM CC[C@H](C)N(C)CC[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000303816015 498717600 /nfs/dbraw/zinc/71/76/00/498717600.db2.gz LYSQCAUEJYWXIJ-JTQLQIEISA-N -1 3 372.840 3.367 20 0 FGADHM Cc1cc(C)cc(C(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)c1 ZINC000332543481 498720777 /nfs/dbraw/zinc/72/07/77/498720777.db2.gz LTOUGCLQKUCNPZ-UHFFFAOYSA-N -1 3 352.434 3.044 20 0 FGADHM COc1ccc(C(=O)N[C@H]2CCCN(c3ccccc3Cl)C2)c([O-])c1 ZINC000303847021 498721827 /nfs/dbraw/zinc/72/18/27/498721827.db2.gz JKNYEKKFRYDDAD-ZDUSSCGKSA-N -1 3 360.841 3.453 20 0 FGADHM COc1ccccc1-c1noc([C@H](C)[N-]S(=O)(=O)[C@@H](C)CC(C)C)n1 ZINC000363264540 498736025 /nfs/dbraw/zinc/73/60/25/498736025.db2.gz OHPAESQLCXZBRH-STQMWFEESA-N -1 3 367.471 3.160 20 0 FGADHM CCOc1ccc([C@H](O)C2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000291039520 498768919 /nfs/dbraw/zinc/76/89/19/498768919.db2.gz IAVBBTMNJALITQ-FQEVSTJZSA-N -1 3 355.434 3.377 20 0 FGADHM [O-]c1cccc(CNC[C@@H]2CCN(CC(F)(F)F)C2)c1Br ZINC000315055803 498781760 /nfs/dbraw/zinc/78/17/60/498781760.db2.gz PWZAZFGPNGQUPT-JTQLQIEISA-N -1 3 367.209 3.129 20 0 FGADHM COC(=O)c1sc([N-]C(=O)c2nc3cccnc3s2)nc1C1CC1 ZINC000287527150 498787334 /nfs/dbraw/zinc/78/73/34/498787334.db2.gz BYLMAZJYHKJICU-UHFFFAOYSA-N -1 3 360.420 3.064 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N3CCC[C@@H]3C3CCOCC3)c[n-]c12 ZINC000332804904 498798746 /nfs/dbraw/zinc/79/87/46/498798746.db2.gz AFWLXHWUVUCGSD-QGZVFWFLSA-N -1 3 358.413 3.007 20 0 FGADHM CC(C)OCc1nc([C@H](C)NC(=O)c2cc([O-])ccc2C(F)(F)F)no1 ZINC000291111819 498800038 /nfs/dbraw/zinc/80/00/38/498800038.db2.gz BVVGSOHRGJIIRS-VIFPVBQESA-N -1 3 373.331 3.210 20 0 FGADHM O=C(CCc1ccc2ccccc2c1[O-])N1CCS[C@H]2COCC[C@@H]21 ZINC000294813297 498813855 /nfs/dbraw/zinc/81/38/55/498813855.db2.gz CDDFSJZMHGJJNI-ROUUACIJSA-N -1 3 357.475 3.211 20 0 FGADHM O=C(c1csc(=O)[n-]1)N1CCC[C@@H]1c1nc(-c2ccccc2F)c[nH]1 ZINC000366200039 498820381 /nfs/dbraw/zinc/82/03/81/498820381.db2.gz FFTLDJQBZJNIHF-CQSZACIVSA-N -1 3 358.398 3.355 20 0 FGADHM O=S(=O)([N-][C@@H]1CCC[C@@H](CO)C1)c1cc(C(F)(F)F)ccc1Cl ZINC000323720152 498822984 /nfs/dbraw/zinc/82/29/84/498822984.db2.gz KQDWCHOAGZBKTA-MWLCHTKSSA-N -1 3 371.808 3.188 20 0 FGADHM O=C([N-]OCC(F)(F)F)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000363525824 498861277 /nfs/dbraw/zinc/86/12/77/498861277.db2.gz SONZSXPDEFVYTB-ZDUSSCGKSA-N -1 3 370.293 3.051 20 0 FGADHM C[C@@H]1CCC[C@@]1(O)C[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000328059765 498865517 /nfs/dbraw/zinc/86/55/17/498865517.db2.gz BAZVDZAYPWBJLH-NOZJJQNGSA-N -1 3 371.808 3.188 20 0 FGADHM Cc1cccc2c(=O)c(C(=O)N3CC[C@@](CO)(c4ccccc4)C3)c[n-]c12 ZINC000291261112 498868060 /nfs/dbraw/zinc/86/80/60/498868060.db2.gz PYLXICKJNZFRQL-JOCHJYFZSA-N -1 3 362.429 3.025 20 0 FGADHM CCc1c(C)nn(-c2cccc(C(=O)N=c3cc4ccccn4[n-]3)c2)c1C ZINC000579144545 506103952 /nfs/dbraw/zinc/10/39/52/506103952.db2.gz GQGUOMAYYZZCPI-UHFFFAOYSA-N -1 3 359.433 3.373 20 0 FGADHM O=C(c1ccc(C(=O)N2CCC[C@@H]3COCC[C@@H]32)cc1)c1cccc([O-])c1 ZINC000333016505 498870929 /nfs/dbraw/zinc/87/09/29/498870929.db2.gz CJAJJDAHXBQJCP-QUCCMNQESA-N -1 3 365.429 3.264 20 0 FGADHM Cc1nc(C)c(S(=O)(=O)[N-][C@@H](c2ccc(F)cc2)[C@H]2CCCO2)s1 ZINC000333020260 498872379 /nfs/dbraw/zinc/87/23/79/498872379.db2.gz IQGIKBLMRPNWKR-CABCVRRESA-N -1 3 370.471 3.098 20 0 FGADHM COc1ccc([C@H](O)C2CCN(C(=O)c3ccc(C)cc3[O-])CC2)cc1 ZINC000291275691 498873171 /nfs/dbraw/zinc/87/31/71/498873171.db2.gz PBJCWOZGSYKCEY-FQEVSTJZSA-N -1 3 355.434 3.295 20 0 FGADHM CC[C@]1(C)CN(C(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)CCO1 ZINC000328623872 498879431 /nfs/dbraw/zinc/87/94/31/498879431.db2.gz ZEWXGXUWMIUUKP-LJQANCHMSA-N -1 3 356.426 3.190 20 0 FGADHM Cc1cc([N-]C(=O)[C@H](C)N2CCC([C@H]3C(=O)Nc4ccccc43)CC2)on1 ZINC000328687526 498902586 /nfs/dbraw/zinc/90/25/86/498902586.db2.gz HCNNNUMVVVZIFE-SCLBCKFNSA-N -1 3 368.437 3.407 20 0 FGADHM CC(C)n1ccc(CNC(=O)c2ccc(C(=O)c3cccc([O-])c3)cc2)n1 ZINC000573066915 506109921 /nfs/dbraw/zinc/10/99/21/506109921.db2.gz PGIYWGKQGXENAI-UHFFFAOYSA-N -1 3 363.417 3.331 20 0 FGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CC23CCOCC3)c1Cl ZINC000333140878 498912303 /nfs/dbraw/zinc/91/23/03/498912303.db2.gz YSRBWYWBRAUIJS-NSHDSACASA-N -1 3 350.267 3.149 20 0 FGADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)Nc1ccc(F)c(F)c1 ZINC000363628743 498913588 /nfs/dbraw/zinc/91/35/88/498913588.db2.gz RHFIBXULXYQQPI-UHFFFAOYSA-N -1 3 370.359 3.402 20 0 FGADHM Cc1ccc([O-])c(C(=O)N2C[C@H](CCN3CCCC3=O)c3ccccc32)c1 ZINC000363659232 498929665 /nfs/dbraw/zinc/92/96/65/498929665.db2.gz GVTJZOWECXQXOZ-INIZCTEOSA-N -1 3 364.445 3.457 20 0 FGADHM C[C@@]12CCCN1C[C@@H](c1noc(-c3cc4c(cc3[O-])CCCC4)n1)OC2 ZINC000333208152 498936898 /nfs/dbraw/zinc/93/68/98/498936898.db2.gz BBAQXLJMBTXLLA-PXNSSMCTSA-N -1 3 355.438 3.247 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H]3Cc4cccc(OC)c4C3)nc2)n1 ZINC000573085007 506115175 /nfs/dbraw/zinc/11/51/75/506115175.db2.gz UFKMDLZMBALQQU-INIZCTEOSA-N -1 3 362.433 3.395 20 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CCc1cc(=O)[n-]c(-c2ccc(NC[C@H]3CCCn4cc(C)nc43)nc2)n1 ZINC000366690366 499034443 /nfs/dbraw/zinc/03/44/43/499034443.db2.gz VDEMEHKECDYXQD-OAHLLOKOSA-N -1 3 364.453 3.301 20 0 FGADHM O=S(=O)(C[C@H]1CCCC1(F)F)[N-]C[C@@H](O)c1ccc2ccccc2c1 ZINC000295518418 499040527 /nfs/dbraw/zinc/04/05/27/499040527.db2.gz IGVSIRYSOIEJDM-IAGOWNOFSA-N -1 3 369.433 3.228 20 0 FGADHM O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@@H]1[N-]C(=O)C[C@@H]1C(F)(F)F ZINC000366773688 499068612 /nfs/dbraw/zinc/06/86/12/499068612.db2.gz HZHCRTSLEXAYGT-OIBJUYFYSA-N -1 3 374.668 3.364 20 0 FGADHM C[C@H]1C[C@@H](S(=O)(=O)[N-]C(c2cccs2)c2cccs2)CCO1 ZINC000295681680 499079435 /nfs/dbraw/zinc/07/94/35/499079435.db2.gz RXJNMZCECYMEOX-RYUDHWBXSA-N -1 3 357.522 3.386 20 0 FGADHM CCc1ccc(C(=O)N2CCC(c3nnc4cc(C)ccn43)CC2)c([O-])c1 ZINC000366811733 499082016 /nfs/dbraw/zinc/08/20/16/499082016.db2.gz SBCSTPITYRBROS-UHFFFAOYSA-N -1 3 364.449 3.326 20 0 FGADHM CO[C@@H](c1ccccc1Cl)[C@@H](C)NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000570292832 506134608 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CC1(C)CCC[C@@H]1C(=O)N=c1[n-]n(CC(F)(F)F)cc1Br ZINC000421679491 500114603 /nfs/dbraw/zinc/11/46/03/500114603.db2.gz KXRVSWXLCMJWLG-MRVPVSSYSA-N -1 3 368.197 3.395 20 0 FGADHM CC(C)C[C@H](C)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Br ZINC000421679418 500114854 /nfs/dbraw/zinc/11/48/54/500114854.db2.gz KGEZFZFBWAUHQM-QMMMGPOBSA-N -1 3 356.186 3.251 20 0 FGADHM COc1cc(C[C@H](NCc2sccc2Cl)C(=O)[O-])cc(OC)c1 ZINC000417578303 500114975 /nfs/dbraw/zinc/11/49/75/500114975.db2.gz YCNYBPPOASIYIW-AWEZNQCLSA-N -1 3 355.843 3.204 20 0 FGADHM Cc1cscc1C(=O)N=c1[n-]n(CC(F)(F)F)cc1Br ZINC000421683044 500115171 /nfs/dbraw/zinc/11/51/71/500115171.db2.gz RKIAKTJDSKFGIV-UHFFFAOYSA-N -1 3 368.178 3.252 20 0 FGADHM Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)N=c2cc(OC(F)F)n(C)[n-]2)C1 ZINC000429634233 500115329 /nfs/dbraw/zinc/11/53/29/500115329.db2.gz KGPXTDXWJCGGLN-QWHCGFSZSA-N -1 3 364.396 3.162 20 0 FGADHM C[C@@H](c1ccccc1Cl)N(C)C(=O)N=c1cc(OC(F)F)n(C)[n-]1 ZINC000429637184 500116094 /nfs/dbraw/zinc/11/60/94/500116094.db2.gz BNOBOJHWCCVYIU-VIFPVBQESA-N -1 3 358.776 3.322 20 0 FGADHM CC(C)CN(CCc1ccccc1)C(=O)N=c1cc(OC(F)F)n(C)[n-]1 ZINC000429644978 500117658 /nfs/dbraw/zinc/11/76/58/500117658.db2.gz PQUZSQNDRXXUDY-UHFFFAOYSA-N -1 3 366.412 3.176 20 0 FGADHM CCCSC[C@H](NCc1cc(F)cc(Br)c1)C(=O)[O-] ZINC000417591241 500119693 /nfs/dbraw/zinc/11/96/93/500119693.db2.gz XQNOUDUUZOAEMJ-LBPRGKRZSA-N -1 3 350.253 3.274 20 0 FGADHM C[C@@H](c1cccc(Cl)c1)N(C)C(=O)N=c1cc(OC(F)F)n(C)[n-]1 ZINC000429660690 500120122 /nfs/dbraw/zinc/12/01/22/500120122.db2.gz VCDSXSULICZMLO-VIFPVBQESA-N -1 3 358.776 3.322 20 0 FGADHM O=C([O-])[C@H]1C=C[C@@H](NCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000417611076 500124554 /nfs/dbraw/zinc/12/45/54/500124554.db2.gz AHRAKTHBIWYDQE-QWHCGFSZSA-N -1 3 351.328 3.010 20 0 FGADHM CC(C)(C)OC(=O)CC[C@@H](NCc1cnc(C2CCC2)s1)C(=O)[O-] ZINC000417618337 500126572 /nfs/dbraw/zinc/12/65/72/500126572.db2.gz GKUXDKPXGLPABO-CYBMUJFWSA-N -1 3 354.472 3.075 20 0 FGADHM O=C([O-])C[C@H](CNCc1cc(F)cc(Br)c1)C(F)(F)F ZINC000417622769 500127389 /nfs/dbraw/zinc/12/73/89/500127389.db2.gz ISXBYFSNOMPBBM-MRVPVSSYSA-N -1 3 358.129 3.331 20 0 FGADHM O=C([O-])[C@@H](Cc1ccc(Cl)c(Cl)c1)NCc1cnc(C2CC2)nc1 ZINC000417621477 500127506 /nfs/dbraw/zinc/12/75/06/500127506.db2.gz NBCAKUGSCNYFEY-OAHLLOKOSA-N -1 3 366.248 3.446 20 0 FGADHM COc1ccc(Br)cc1CNC[C@@H](CC(=O)[O-])C(F)(F)F ZINC000417622005 500127596 /nfs/dbraw/zinc/12/75/96/500127596.db2.gz HVLKWNTZNPXTMO-SECBINFHSA-N -1 3 370.165 3.201 20 0 FGADHM CC(C)=CCSC[C@H](NCc1ccc(Br)cn1)C(=O)[O-] ZINC000417627003 500129507 /nfs/dbraw/zinc/12/95/07/500129507.db2.gz OYEDRTYPDZDBBH-ZDUSSCGKSA-N -1 3 359.289 3.086 20 0 FGADHM O=C([O-])[C@H]1C=C[C@@H](NCc2ccc(OC(F)F)c(Br)c2)C1 ZINC000417631033 500131374 /nfs/dbraw/zinc/13/13/74/500131374.db2.gz YSDAZLPAQLLGHF-VHSXEESVSA-N -1 3 362.170 3.169 20 0 FGADHM Cc1cc(Br)c(CNCCc2cccc(C(=O)[O-])n2)s1 ZINC000417636823 500132627 /nfs/dbraw/zinc/13/26/27/500132627.db2.gz MLFSYMJMOCELQV-UHFFFAOYSA-N -1 3 355.257 3.245 20 0 FGADHM Cc1ccc(OC(F)F)c(CNC[C@@H](Oc2ccccc2)C(=O)[O-])c1 ZINC000417639156 500133337 /nfs/dbraw/zinc/13/33/37/500133337.db2.gz LKLNWWGXAKXASW-MRXNPFEDSA-N -1 3 351.349 3.218 20 0 FGADHM Cc1cc(CN[C@@H](c2ccc(Br)cc2)[C@@H](C)C(=O)[O-])n(C)n1 ZINC000417643037 500134878 /nfs/dbraw/zinc/13/48/78/500134878.db2.gz YLDKAPKBONREJI-IAQYHMDHSA-N -1 3 366.259 3.043 20 0 FGADHM C[C@H]([C@H](NCc1cn(-c2cccc(Cl)c2Cl)nn1)C(=O)[O-])C1CC1 ZINC000417643115 500135815 /nfs/dbraw/zinc/13/58/15/500135815.db2.gz YUXJVUDGCZHTFF-VFZGTOFNSA-N -1 3 369.252 3.163 20 0 FGADHM CC(C)(C)c1ccc(C(=O)Nc2ccc(F)c([N-]S(C)(=O)=O)c2)nc1 ZINC000421744111 500137836 /nfs/dbraw/zinc/13/78/36/500137836.db2.gz YQCNOAXVYSHFBZ-UHFFFAOYSA-N -1 3 365.430 3.142 20 0 FGADHM Cn1c(CNC[C@H]2CCC[C@H]2C(=O)[O-])nc2cc(C(F)(F)F)ccc21 ZINC000417649813 500137895 /nfs/dbraw/zinc/13/78/95/500137895.db2.gz SPYOSMHVRSDDOO-ZYHUDNBSSA-N -1 3 355.360 3.183 20 0 FGADHM COc1cccc(C[C@H](CNCc2ccc(Br)o2)C(=O)[O-])c1 ZINC000417657638 500140053 /nfs/dbraw/zinc/14/00/53/500140053.db2.gz YQBMRLFSLKYJQZ-GFCCVEGCSA-N -1 3 368.227 3.084 20 0 FGADHM CC[C@H](CCNCc1ccc(F)cc1I)C(=O)[O-] ZINC000417669425 500144121 /nfs/dbraw/zinc/14/41/21/500144121.db2.gz LZLOXAQPHUJKRA-SECBINFHSA-N -1 3 365.186 3.021 20 0 FGADHM CC[C@H](CCNCc1cc(Cl)ccc1OC[C@H]1CCCO1)C(=O)[O-] ZINC000417671834 500145632 /nfs/dbraw/zinc/14/56/32/500145632.db2.gz RJHWMMYKEKRRIK-CZUORRHYSA-N -1 3 355.862 3.488 20 0 FGADHM CCCOc1cccnc1C(=O)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1 ZINC000429810474 500149110 /nfs/dbraw/zinc/14/91/10/500149110.db2.gz PDQZAYMISKKTFT-UHFFFAOYSA-N -1 3 358.348 3.213 20 0 FGADHM NC(=O)c1cc([N-]C(=O)c2ncoc2[C@@H]2CCCO2)c(Cl)cc1Cl ZINC000425571227 500149896 /nfs/dbraw/zinc/14/98/96/500149896.db2.gz NSNGUGXEOUACHK-NSHDSACASA-N -1 3 370.192 3.184 20 0 FGADHM CSCCC[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000429855714 500157360 /nfs/dbraw/zinc/15/73/60/500157360.db2.gz DUCGFPKGWUBIMT-UHFFFAOYSA-N -1 3 358.710 3.134 20 0 FGADHM O=S(=O)([N-]C[C@H]1CCC(F)(F)C1)c1ccc(F)c(Br)c1 ZINC000429906454 500164639 /nfs/dbraw/zinc/16/46/39/500164639.db2.gz XHBYSNRWOHTCPH-QMMMGPOBSA-N -1 3 372.206 3.302 20 0 FGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)NC1CCCCCC1 ZINC000429924860 500168041 /nfs/dbraw/zinc/16/80/41/500168041.db2.gz OIVSJWPQCJUFGA-UHFFFAOYSA-N -1 3 351.248 3.363 20 0 FGADHM CC[C@H](C)CNC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000421908162 500173977 /nfs/dbraw/zinc/17/39/77/500173977.db2.gz FDDRNWWWKMGXMP-HNAYVOBHSA-N -1 3 354.450 3.416 20 0 FGADHM C[C@H]1CCCC[C@@H]1NC(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000429972445 500175633 /nfs/dbraw/zinc/17/56/33/500175633.db2.gz GVTGFKJOQIGDHV-GWCFXTLKSA-N -1 3 351.248 3.219 20 0 FGADHM O=C([N-]c1cnns1)C(=O)N1CCCCC[C@H]1/C=C\c1cccs1 ZINC000430025728 500182784 /nfs/dbraw/zinc/18/27/84/500182784.db2.gz ACJLFBNTPUMADV-KRZKBDHCSA-N -1 3 362.480 3.023 20 0 FGADHM O=C(Cc1c[nH]c2ccccc12)N=c1cc2ccc(Br)cn2[n-]1 ZINC000430135186 500197895 /nfs/dbraw/zinc/19/78/95/500197895.db2.gz FTDKNEWNLWQVBF-UHFFFAOYSA-N -1 3 369.222 3.181 20 0 FGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)c1ccc(F)cc1F ZINC000430171939 500203687 /nfs/dbraw/zinc/20/36/87/500203687.db2.gz WYPYVQLDCCCWTR-UHFFFAOYSA-N -1 3 352.138 3.049 20 0 FGADHM Cc1nc([C@@H](C)Sc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)no1 ZINC000430173945 500204131 /nfs/dbraw/zinc/20/41/31/500204131.db2.gz ZJXCUTOPIKEULA-SECBINFHSA-N -1 3 354.395 3.066 20 0 FGADHM CCCC(C)(C)CC(=O)NC[C@@H](Cc1ccc([O-])c(F)c1)C(=O)OC ZINC000422044984 500204766 /nfs/dbraw/zinc/20/47/66/500204766.db2.gz RQIXZSAAQKQMKE-CQSZACIVSA-N -1 3 353.434 3.196 20 0 FGADHM COC(=O)[C@H](CNC(=O)CCCc1ccccc1)Cc1ccc([O-])c(F)c1 ZINC000422052269 500206535 /nfs/dbraw/zinc/20/65/35/500206535.db2.gz ZWLADLRWXONDTO-KRWDZBQOSA-N -1 3 373.424 3.002 20 0 FGADHM CC(=O)c1ccc(C(=O)N2C[C@H](C(=O)OC(C)(C)C)C[C@H](C)C2)cc1[O-] ZINC000422126303 500217370 /nfs/dbraw/zinc/21/73/70/500217370.db2.gz QFSPOVKOAJVGOS-SWLSCSKDSA-N -1 3 361.438 3.035 20 0 FGADHM C/C(=C\c1ccccc1)CN(C)C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000426112021 500237395 /nfs/dbraw/zinc/23/73/95/500237395.db2.gz JUCKTOXVUYNHHP-DHZHZOJOSA-N -1 3 353.348 3.068 20 0 FGADHM C/C(=C\c1ccccc1)CN(C)C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000426112021 500237397 /nfs/dbraw/zinc/23/73/97/500237397.db2.gz JUCKTOXVUYNHHP-DHZHZOJOSA-N -1 3 353.348 3.068 20 0 FGADHM C/C(=C\c1ccccc1)CN(C)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000426112021 500237398 /nfs/dbraw/zinc/23/73/98/500237398.db2.gz JUCKTOXVUYNHHP-DHZHZOJOSA-N -1 3 353.348 3.068 20 0 FGADHM Cn1cc(-c2noc(-c3cc(-c4ccco4)n[n-]3)n2)c(C(F)(F)F)n1 ZINC000426215951 500249057 /nfs/dbraw/zinc/24/90/57/500249057.db2.gz KYEYRPZOJVQMNK-UHFFFAOYSA-N -1 3 350.260 3.139 20 0 FGADHM Cn1cc(-c2noc(-c3cc(-c4ccco4)[n-]n3)n2)c(C(F)(F)F)n1 ZINC000426215951 500249060 /nfs/dbraw/zinc/24/90/60/500249060.db2.gz KYEYRPZOJVQMNK-UHFFFAOYSA-N -1 3 350.260 3.139 20 0 FGADHM CCOCCN(C)C(=O)c1c[n-]c2ccc(Oc3ccccc3)cc2c1=O ZINC000430588810 500259311 /nfs/dbraw/zinc/25/93/11/500259311.db2.gz GDMIWWTUYIWDTF-UHFFFAOYSA-N -1 3 366.417 3.429 20 0 FGADHM CN(CCCC(=O)[O-])CC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000430672839 500268151 /nfs/dbraw/zinc/26/81/51/500268151.db2.gz XGAMBGPWOFLFCH-HNNXBMFYSA-N -1 3 373.280 3.454 20 0 FGADHM C[C@@H](CN(C)CC(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1)C(=O)[O-] ZINC000422599438 500280352 /nfs/dbraw/zinc/28/03/52/500280352.db2.gz YOFPFYGKJXSDQJ-LIRRHRJNSA-N -1 3 374.868 3.198 20 0 FGADHM CC(C)c1ccc([C@H](N)CNC(=O)c2cc(F)c(F)c([O-])c2F)cc1 ZINC000422797049 500299078 /nfs/dbraw/zinc/29/90/78/500299078.db2.gz LBPXFKSOHAVCFG-CQSZACIVSA-N -1 3 352.356 3.363 20 0 FGADHM O=C([O-])[C@@H](CNCc1cccc(Br)c1)Oc1ccc(F)cc1 ZINC000426655431 500302165 /nfs/dbraw/zinc/30/21/65/500302165.db2.gz RZSGAWCDEXCVCG-OAHLLOKOSA-N -1 3 368.202 3.210 20 0 FGADHM Cn1c(CNC[C@@H](Cc2ccc(Cl)cc2)C(=O)[O-])nc2ccccc21 ZINC000426688040 500306616 /nfs/dbraw/zinc/30/66/16/500306616.db2.gz NSYXYRQPTYHCDR-CQSZACIVSA-N -1 3 357.841 3.260 20 0 FGADHM Cc1ccc([C@@H](NCc2ccc(OC[C@@H]3CCCO3)cc2)C(=O)[O-])cc1 ZINC000426708889 500309341 /nfs/dbraw/zinc/30/93/41/500309341.db2.gz OALJFBAEGLAHND-VQTJNVASSA-N -1 3 355.434 3.468 20 0 FGADHM O=C([O-])[C@@H](Cn1ccc(C(F)(F)F)n1)NCc1cc2cc(F)ccc2o1 ZINC000426719388 500310105 /nfs/dbraw/zinc/31/01/05/500310105.db2.gz GDUFFHCSPRZSPQ-GFCCVEGCSA-N -1 3 371.290 3.030 20 0 FGADHM COc1cccc(CSC[C@H](NCc2sc(C)nc2C)C(=O)[O-])c1 ZINC000426753238 500315824 /nfs/dbraw/zinc/31/58/24/500315824.db2.gz CRHPWLMVIIKZEX-HNNXBMFYSA-N -1 3 366.508 3.245 20 0 FGADHM CC(C)(C)CC[C@H](NCc1cn(-c2ccc(F)c(Cl)c2)nn1)C(=O)[O-] ZINC000426761058 500317016 /nfs/dbraw/zinc/31/70/16/500317016.db2.gz XDBKCOSHHSTTLF-HNNXBMFYSA-N -1 3 368.840 3.429 20 0 FGADHM COc1ccc(OC)c(CN[C@@H](Cc2c(F)cccc2Cl)C(=O)[O-])c1 ZINC000426760963 500317047 /nfs/dbraw/zinc/31/70/47/500317047.db2.gz WJKDZESBYKQDMZ-INIZCTEOSA-N -1 3 367.804 3.282 20 0 FGADHM O=C([O-])[C@@H](NCc1ccc(OC[C@H]2CCCO2)cc1)c1ccc(F)cc1 ZINC000426772242 500318414 /nfs/dbraw/zinc/31/84/14/500318414.db2.gz CQIJAMVSRFAIDW-MOPGFXCFSA-N -1 3 359.397 3.299 20 0 FGADHM CCCSC[C@H](NCc1cnn(-c2ccc(Cl)cc2)c1)C(=O)[O-] ZINC000426774502 500318947 /nfs/dbraw/zinc/31/89/47/500318947.db2.gz VBAMRPZXKLYYSR-HNNXBMFYSA-N -1 3 353.875 3.212 20 0 FGADHM COc1cc(C[C@@H](NCc2ccc(Cl)cc2F)C(=O)[O-])cc(OC)c1 ZINC000426783031 500320198 /nfs/dbraw/zinc/32/01/98/500320198.db2.gz JBZAYXJBQJEPQZ-QGZVFWFLSA-N -1 3 367.804 3.282 20 0 FGADHM O=C([O-])[C@H](Cc1ccco1)NCc1ccc(OCC(F)(F)F)c(F)c1 ZINC000426817069 500324505 /nfs/dbraw/zinc/32/45/05/500324505.db2.gz RSOVDQYTUUGHHR-ZDUSSCGKSA-N -1 3 361.291 3.145 20 0 FGADHM COc1ccc([C@@H](NCc2ccc(OC)c(Cl)c2)C(=O)[O-])cc1F ZINC000426818539 500324844 /nfs/dbraw/zinc/32/48/44/500324844.db2.gz FWOPXWHJPUMPHQ-MRXNPFEDSA-N -1 3 353.777 3.412 20 0 FGADHM COc1ccc([C@@H](NCc2ccc(OCC(F)F)cc2)C(=O)[O-])cc1F ZINC000426824621 500325171 /nfs/dbraw/zinc/32/51/71/500325171.db2.gz NKROGXNFICYWEL-QGZVFWFLSA-N -1 3 369.339 3.394 20 0 FGADHM CC[C@@H](CC(C)C)c1nc(-c2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)no1 ZINC000573417201 506189745 /nfs/dbraw/zinc/18/97/45/506189745.db2.gz BOWQPBZCUUFSAA-HXPMCKFVSA-N -1 3 356.426 3.331 20 0 FGADHM CC(C)C[C@H](C)n1nccc1NC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000426879773 500332531 /nfs/dbraw/zinc/33/25/31/500332531.db2.gz VWNOMJPEDVZEHV-ZDUSSCGKSA-N -1 3 364.471 3.114 20 0 FGADHM COC1(C(F)(F)F)CCN(Cc2cc(=O)[n-]c(-c3ccccc3)n2)CC1 ZINC000419299475 500350782 /nfs/dbraw/zinc/35/07/82/500350782.db2.gz HZAVYINDLRKGNH-UHFFFAOYSA-N -1 3 367.371 3.393 20 0 FGADHM O=C(NC[C@@H](Cc1ccccc1)C(F)(F)F)c1cc(F)cc2nn[n-]c21 ZINC000427094993 500352767 /nfs/dbraw/zinc/35/27/67/500352767.db2.gz WJJQHSFEMIJGQY-LLVKDONJSA-N -1 3 366.318 3.248 20 0 FGADHM O=C(NC[C@@H](Cc1ccccc1)C(F)(F)F)c1cc(F)cc2[n-]nnc21 ZINC000427094993 500352769 /nfs/dbraw/zinc/35/27/69/500352769.db2.gz WJJQHSFEMIJGQY-LLVKDONJSA-N -1 3 366.318 3.248 20 0 FGADHM O=C(NC[C@@H](Cc1ccccc1)C(F)(F)F)c1cc(F)cc2n[n-]nc21 ZINC000427094993 500352771 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/nfs/dbraw/zinc/02/94/32/501029432.db2.gz UGAABTNVYNYFKB-ZDUSSCGKSA-N -1 3 369.512 3.103 20 0 FGADHM Cc1cc(C)c2c(=O)[n-]c(SCc3nncn3-c3ccccc3)nc2n1 ZINC000435801436 501030290 /nfs/dbraw/zinc/03/02/90/501030290.db2.gz UEXXZMSZGYQOIJ-UHFFFAOYSA-N -1 3 364.434 3.220 20 0 FGADHM O=C(NCc1cn2ccccc2n1)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000435828107 501034481 /nfs/dbraw/zinc/03/44/81/501034481.db2.gz UWXFAQILWDYDNC-UHFFFAOYSA-N -1 3 371.396 3.201 20 0 FGADHM Cc1cc(NC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)ccc1OC(C)C ZINC000440782210 501047703 /nfs/dbraw/zinc/04/77/03/501047703.db2.gz DFDYZGBJJFQLPR-UHFFFAOYSA-N -1 3 353.378 3.310 20 0 FGADHM CN(CCNC(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1)c1ccccc1 ZINC000435942806 501049326 /nfs/dbraw/zinc/04/93/26/501049326.db2.gz OEIYAPYDAOZQAB-UHFFFAOYSA-N -1 3 374.440 3.489 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)c3cccc(F)c3SC)[n-]c21 ZINC000436159071 501080565 /nfs/dbraw/zinc/08/05/65/501080565.db2.gz XZRQQCREGQSYPI-UHFFFAOYSA-N -1 3 359.382 3.463 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cccc(F)c3SC)nc21 ZINC000436159071 501080567 /nfs/dbraw/zinc/08/05/67/501080567.db2.gz XZRQQCREGQSYPI-UHFFFAOYSA-N -1 3 359.382 3.463 20 0 FGADHM COC(=O)c1cccc(F)c1[N-]S(=O)(=O)c1c(C)cc(C)cc1C ZINC000436165151 501082343 /nfs/dbraw/zinc/08/23/43/501082343.db2.gz WXSJUPAULZDYLD-UHFFFAOYSA-N -1 3 351.399 3.338 20 0 FGADHM C[C@H](NC1(CN=c2[n-]c(C3CCC3)no2)CCOCC1)c1ccccc1 ZINC000450335651 501094219 /nfs/dbraw/zinc/09/42/19/501094219.db2.gz ZGOKTPKTDGWACC-HNNXBMFYSA-N -1 3 356.470 3.071 20 0 FGADHM COc1cccc(C(=O)Nc2ccc(O[C@H]3CCCC[C@H]3O)cc2)c1[O-] ZINC000436488161 501137318 /nfs/dbraw/zinc/13/73/18/501137318.db2.gz DDQBZOYQJOAABP-SJORKVTESA-N -1 3 357.406 3.335 20 0 FGADHM Cc1cc(C)cc([C@@H](C)NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])c1 ZINC000436490121 501137994 /nfs/dbraw/zinc/13/79/94/501137994.db2.gz XPHJIGGRZLACOC-VQIMIIECSA-N -1 3 366.461 3.491 20 0 FGADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NC1(C(F)F)CC1 ZINC000436519386 501146305 /nfs/dbraw/zinc/14/63/05/501146305.db2.gz WZGNLMCDVFGYAY-INIZCTEOSA-N -1 3 374.387 3.167 20 0 FGADHM O=C(N[C@H]1COc2cc(F)c(Br)cc21)c1ccccc1[O-] ZINC000436520490 501146362 /nfs/dbraw/zinc/14/63/62/501146362.db2.gz GNUQXCUMTRVDQK-LBPRGKRZSA-N -1 3 352.159 3.157 20 0 FGADHM CCCc1c([N-]S(=O)(=O)N(CC)CC)cnn1-c1cccc(C)c1 ZINC000446639503 501146411 /nfs/dbraw/zinc/14/64/11/501146411.db2.gz SBPQLQSSLRPPQH-UHFFFAOYSA-N -1 3 350.488 3.132 20 0 FGADHM COc1ccccc1[C@@H]1CN(C(=O)c2ccc(C(C)C)cc2[O-])CCN1 ZINC000436519083 501146413 /nfs/dbraw/zinc/14/64/13/501146413.db2.gz NWAQDJNMIPQFPH-SFHVURJKSA-N -1 3 354.450 3.311 20 0 FGADHM C[C@H](CC(N)=O)C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000436520922 501147061 /nfs/dbraw/zinc/14/70/61/501147061.db2.gz JUIYWQVNDVGJCB-SNVBAGLBSA-N -1 3 355.419 3.119 20 0 FGADHM O=C(NCCNC(=O)c1cc2c(cc1[O-])CCCC2)c1ccccc1Cl ZINC000436528006 501147967 /nfs/dbraw/zinc/14/79/67/501147967.db2.gz MZRXFBPAPHWJSS-UHFFFAOYSA-N -1 3 372.852 3.084 20 0 FGADHM CCOc1nc2ccc(C(=O)N=c3cc(C)n([C@@H](C)C4CC4)[nH]3)cc2[n-]1 ZINC000450543262 501150069 /nfs/dbraw/zinc/15/00/69/501150069.db2.gz JMXGTSXVFYZAKF-LBPRGKRZSA-N -1 3 353.426 3.112 20 0 FGADHM CCOc1nc2cc(C(=O)N=c3cc(C)n([C@@H](C)C4CC4)[nH]3)ccc2[n-]1 ZINC000450543262 501150074 /nfs/dbraw/zinc/15/00/74/501150074.db2.gz JMXGTSXVFYZAKF-LBPRGKRZSA-N -1 3 353.426 3.112 20 0 FGADHM O=C(Nc1ccc(CCN2CCSCC2)cc1)c1cc(F)ccc1[O-] ZINC000436541602 501151954 /nfs/dbraw/zinc/15/19/54/501151954.db2.gz WWEOLCABSVOIOY-UHFFFAOYSA-N -1 3 360.454 3.375 20 0 FGADHM COc1ccc(CNC(=O)c2cc3c(cc2[O-])CCCC3)cc1NC(C)=O ZINC000436545665 501153892 /nfs/dbraw/zinc/15/38/92/501153892.db2.gz OBEKJTAPWDNTEC-UHFFFAOYSA-N -1 3 368.433 3.168 20 0 FGADHM CC[C@@H](C)NC(=O)CCNC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436555135 501156114 /nfs/dbraw/zinc/15/61/14/501156114.db2.gz JNSXCRBTQXKIFU-OAHLLOKOSA-N -1 3 370.449 3.006 20 0 FGADHM CN(CCOc1ccc(Br)cc1)C(=O)c1ccc(O)cc1[O-] ZINC000436554573 501156430 /nfs/dbraw/zinc/15/64/30/501156430.db2.gz FZPMMLIDFUMJKB-UHFFFAOYSA-N -1 3 366.211 3.011 20 0 FGADHM CCN(CC)C(=O)CCC(=O)N=c1cc(-c2cc(C)c(C)cc2C)[n-][nH]1 ZINC000446733286 501158402 /nfs/dbraw/zinc/15/84/02/501158402.db2.gz BUXOPBOIJKRIJV-UHFFFAOYSA-N -1 3 356.470 3.011 20 0 FGADHM Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2cccc(C)c2[O-])cc1C ZINC000436566272 501158921 /nfs/dbraw/zinc/15/89/21/501158921.db2.gz LAGNCWZCHZBXBE-QGZVFWFLSA-N -1 3 370.474 3.471 20 0 FGADHM COc1ccccc1-c1noc([C@H](C)NC(=O)c2cc(C)ccc2[O-])n1 ZINC000436571331 501159746 /nfs/dbraw/zinc/15/97/46/501159746.db2.gz CPKQQRFUFFHMHU-LBPRGKRZSA-N -1 3 353.378 3.250 20 0 FGADHM COc1cc(C(=O)N(C)C)ccc1NC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436574767 501160434 /nfs/dbraw/zinc/16/04/34/501160434.db2.gz MKKCSEYLUIXAIW-UHFFFAOYSA-N -1 3 368.433 3.234 20 0 FGADHM COc1ccc(C(=O)N[C@@H](C)c2nc(-c3ccc(C)c(F)c3)no2)c([O-])c1 ZINC000436579534 501161462 /nfs/dbraw/zinc/16/14/62/501161462.db2.gz XMMNUORPCOSLGM-NSHDSACASA-N -1 3 371.368 3.389 20 0 FGADHM COc1cccc(C(=O)N[C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)c1[O-] ZINC000436580133 501162033 /nfs/dbraw/zinc/16/20/33/501162033.db2.gz AFRFNWVIWXIGGB-LBPRGKRZSA-N -1 3 369.421 3.176 20 0 FGADHM Cc1ccc(C(=O)NC[C@H](CO)Cc2c(F)cccc2Cl)c([O-])c1 ZINC000436582750 501162155 /nfs/dbraw/zinc/16/21/55/501162155.db2.gz JGPYPIUBLLQJEO-GFCCVEGCSA-N -1 3 351.805 3.074 20 0 FGADHM CC(C)c1ccc(C(=O)N[C@H]2CCN(Cc3ccc(F)cc3)C2=O)c([O-])c1 ZINC000436580603 501162425 /nfs/dbraw/zinc/16/24/25/501162425.db2.gz GQWAIZFMFDDRRU-SFHVURJKSA-N -1 3 370.424 3.186 20 0 FGADHM CCOCCOc1cc(C)ccc1CNC(=O)c1ccc(OC)cc1[O-] ZINC000436592145 501164672 /nfs/dbraw/zinc/16/46/72/501164672.db2.gz ZDTCJWGIEOAYPR-UHFFFAOYSA-N -1 3 359.422 3.055 20 0 FGADHM Cn1cc(-c2csc(NC(=O)c3cc4c(cc3[O-])CCCC4)n2)cn1 ZINC000436592302 501164684 /nfs/dbraw/zinc/16/46/84/501164684.db2.gz TUEXOLSQTDLEMB-UHFFFAOYSA-N -1 3 354.435 3.380 20 0 FGADHM C[C@@H]1CN(CCCCNC(=O)c2ccc3ccccc3c2[O-])C[C@H](C)O1 ZINC000436589992 501165227 /nfs/dbraw/zinc/16/52/27/501165227.db2.gz XSAPPNVKPJCHFG-IYBDPMFKSA-N -1 3 356.466 3.165 20 0 FGADHM CC[C@@H](C)NC(=O)c1cccc(CNC(=O)c2ccc(C(C)=O)c([O-])c2)c1 ZINC000436593909 501165593 /nfs/dbraw/zinc/16/55/93/501165593.db2.gz FCGQEUYGDYTIHF-CYBMUJFWSA-N -1 3 368.433 3.053 20 0 FGADHM CC1(C)Cc2ccc(C(=O)Nc3nnc(CC(F)(F)F)s3)c([O-])c2O1 ZINC000436595791 501165922 /nfs/dbraw/zinc/16/59/22/501165922.db2.gz JTGVFVLKTBXKJB-UHFFFAOYSA-N -1 3 373.356 3.314 20 0 FGADHM CS(=O)(=O)CCc1ccc(NC(=O)c2cc3c(cc2[O-])CCCC3)cc1 ZINC000436599797 501166393 /nfs/dbraw/zinc/16/63/93/501166393.db2.gz CFHRFMVBUCWTBJ-UHFFFAOYSA-N -1 3 373.474 3.110 20 0 FGADHM COc1ccccc1C[C@H]1CCCN1C(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000436620660 501171267 /nfs/dbraw/zinc/17/12/67/501171267.db2.gz BKSOEEIKHIDKJI-QGZVFWFLSA-N -1 3 353.418 3.451 20 0 FGADHM CCOc1cccc(CNC(=O)c2ccc(O)cc2[O-])c1OC(F)F ZINC000436627558 501172891 /nfs/dbraw/zinc/17/28/91/501172891.db2.gz UIBMATVJLBDUEW-UHFFFAOYSA-N -1 3 353.321 3.028 20 0 FGADHM C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1cc(F)c([O-])c(F)c1 ZINC000436640313 501176368 /nfs/dbraw/zinc/17/63/68/501176368.db2.gz OZZSTJKFOWRJRT-ACJLOTCBSA-N -1 3 360.404 3.311 20 0 FGADHM CC(=O)c1ccc(C(=O)N2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)cc1[O-] ZINC000436647755 501177967 /nfs/dbraw/zinc/17/79/67/501177967.db2.gz KWTWZOGGRMPRBH-MRXNPFEDSA-N -1 3 369.392 3.469 20 0 FGADHM CC(C)c1ccc(C(=O)Nc2cccc(CN3CC[C@@H](O)C3)c2)c([O-])c1 ZINC000436646107 501178367 /nfs/dbraw/zinc/17/83/67/501178367.db2.gz FGJIUHZHYGQYSE-GOSISDBHSA-N -1 3 354.450 3.335 20 0 FGADHM CC(C)(C)S(=O)(=O)Cc1ccc(NC(=O)c2c([O-])cccc2O)cc1 ZINC000436650827 501179025 /nfs/dbraw/zinc/17/90/25/501179025.db2.gz XOCHYTHGFCUXJM-UHFFFAOYSA-N -1 3 363.435 3.063 20 0 FGADHM CC[C@H](NC(=O)c1ccc(C)cc1[O-])[C@H](c1ccc(C)cc1)n1cncn1 ZINC000436651244 501180025 /nfs/dbraw/zinc/18/00/25/501180025.db2.gz UQYHNEHWYFEHFR-ICSRJNTNSA-N -1 3 364.449 3.399 20 0 FGADHM COc1cc(OC)cc(-c2cccc(NC(=O)c3c([O-])cccc3O)n2)c1 ZINC000436654887 501180203 /nfs/dbraw/zinc/18/02/03/501180203.db2.gz JUOINXLPSMYYIV-UHFFFAOYSA-N -1 3 366.373 3.429 20 0 FGADHM CCOC(=O)CCc1ccc(NC(=O)c2cc(OC)c([O-])c(OC)c2)cc1 ZINC000436661794 501181588 /nfs/dbraw/zinc/18/15/88/501181588.db2.gz HKLUSPDFPMONQM-UHFFFAOYSA-N -1 3 373.405 3.157 20 0 FGADHM CC(=O)c1ccc(C(=O)NC[C@@H](c2ccccc2)C(C)(C)CO)cc1[O-] ZINC000436668060 501183418 /nfs/dbraw/zinc/18/34/18/501183418.db2.gz WNHLBVZKERVNOK-SFHVURJKSA-N -1 3 355.434 3.127 20 0 FGADHM C[C@@H]1CCCC[C@H]1CCNC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436670457 501184062 /nfs/dbraw/zinc/18/40/62/501184062.db2.gz FZHMYTZZQPTRPZ-SJORKVTESA-N -1 3 373.497 3.076 20 0 FGADHM CO[C@@H](CN1CCN(C(=O)c2ccccc2[O-])CC1)c1ccc(Cl)cc1 ZINC000436670235 501184257 /nfs/dbraw/zinc/18/42/57/501184257.db2.gz CYWODCIKYGHILG-IBGZPJMESA-N -1 3 374.868 3.191 20 0 FGADHM CSCc1ccc(NC(=O)CCNC(=O)c2ccc(C)cc2[O-])cc1 ZINC000436671562 501184288 /nfs/dbraw/zinc/18/42/88/501184288.db2.gz ADDLEIOSMDIJOF-UHFFFAOYSA-N -1 3 358.463 3.322 20 0 FGADHM C[C@H](COc1ccccc1C(F)(F)F)NC(=O)c1c([O-])cccc1O ZINC000436673161 501184953 /nfs/dbraw/zinc/18/49/53/501184953.db2.gz PPRHEXMBRDEZAQ-SNVBAGLBSA-N -1 3 355.312 3.314 20 0 FGADHM CC1(C)Cc2ccc(C(=O)NCc3ccn(-c4ccccc4)n3)c([O-])c2O1 ZINC000436678029 501185794 /nfs/dbraw/zinc/18/57/94/501185794.db2.gz AHHAOBMCITYFRO-UHFFFAOYSA-N -1 3 363.417 3.221 20 0 FGADHM COc1ccc(CCNC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)c(OC)c1 ZINC000436678936 501186956 /nfs/dbraw/zinc/18/69/56/501186956.db2.gz DPBAOUPOBVMPDH-UHFFFAOYSA-N -1 3 371.433 3.095 20 0 FGADHM CCN(CC)c1ccc(CNC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)cn1 ZINC000436682262 501187098 /nfs/dbraw/zinc/18/70/98/501187098.db2.gz QGZLHKMNHSYQSN-UHFFFAOYSA-N -1 3 369.465 3.277 20 0 FGADHM COCCOc1cccc(CNC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)c1 ZINC000436682786 501187580 /nfs/dbraw/zinc/18/75/80/501187580.db2.gz RRFPCBXXDBESCH-UHFFFAOYSA-N -1 3 371.433 3.061 20 0 FGADHM CCOc1ccccc1-c1noc(CCNC(=O)c2ccc(C)cc2[O-])n1 ZINC000436685922 501188060 /nfs/dbraw/zinc/18/80/60/501188060.db2.gz CPMURTYCBUYKMG-UHFFFAOYSA-N -1 3 367.405 3.122 20 0 FGADHM Cc1ccc([O-])c(C(=O)N2CCN([C@H](C)c3ccc(F)cc3F)CC2)c1 ZINC000436691867 501190002 /nfs/dbraw/zinc/19/00/02/501190002.db2.gz UKJWWARCMZCXJK-CQSZACIVSA-N -1 3 360.404 3.498 20 0 FGADHM C[C@@H]1CN(C(=O)c2cc(OCc3ccccc3)ccc2[O-])C[C@H](C)N1C ZINC000436692675 501190084 /nfs/dbraw/zinc/19/00/84/501190084.db2.gz ZEHLROVYWATDBJ-IYBDPMFKSA-N -1 3 354.450 3.136 20 0 FGADHM CN(CCCN(C)C(=O)c1ccc2c(c1[O-])OC(C)(C)C2)Cc1ccco1 ZINC000436711355 501193605 /nfs/dbraw/zinc/19/36/05/501193605.db2.gz GZKMFIWTZYIANS-UHFFFAOYSA-N -1 3 372.465 3.293 20 0 FGADHM C[C@@H]1[C@H](C)N(C(=O)c2cc(OCc3ccccc3)ccc2[O-])CCN1C ZINC000436711705 501193902 /nfs/dbraw/zinc/19/39/02/501193902.db2.gz KGMFYVYHGUBLEJ-CVEARBPZSA-N -1 3 354.450 3.136 20 0 FGADHM CC(=O)N1CC[C@@H](NC(=O)c2cc3c(cc2[O-])CCCC3)c2ccccc21 ZINC000436714244 501194593 /nfs/dbraw/zinc/19/45/93/501194593.db2.gz HQNLWBJQONTLFX-LJQANCHMSA-N -1 3 364.445 3.499 20 0 FGADHM CC1(C)Cc2ccc(C(=O)NCc3ccnc(OC(F)F)c3)c([O-])c2O1 ZINC000436723577 501197194 /nfs/dbraw/zinc/19/71/94/501197194.db2.gz LTFXUWOSZGBVQR-UHFFFAOYSA-N -1 3 364.348 3.032 20 0 FGADHM Cc1cccc2c1[C@@H](C)C[C@@H]2CC(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000436721878 501197280 /nfs/dbraw/zinc/19/72/80/501197280.db2.gz LLFFRBIHSHAVMJ-DOTOQJQBSA-N -1 3 366.461 3.228 20 0 FGADHM CS[C@H]1CN(C(=O)c2cc(Cl)c3ccccc3c2[O-])C[C@@H]1N(C)C ZINC000436729488 501198447 /nfs/dbraw/zinc/19/84/47/501198447.db2.gz BCNOMQCTAALRMY-HOTGVXAUSA-N -1 3 364.898 3.316 20 0 FGADHM CC[C@@H](NCC[N-]S(=O)(=O)c1ccc(F)cc1F)c1ccc(F)cc1 ZINC000442122862 501199397 /nfs/dbraw/zinc/19/93/97/501199397.db2.gz JWMYYKLECDXNHK-MRXNPFEDSA-N -1 3 372.412 3.123 20 0 FGADHM CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)c1ccc(Br)c([O-])c1 ZINC000447073746 501201510 /nfs/dbraw/zinc/20/15/10/501201510.db2.gz YOLHVCUPKFVRIX-UHFFFAOYSA-N -1 3 366.259 3.448 20 0 FGADHM Cc1cccc(C(=O)Nc2cc(-c3cccc(Cl)c3)nn2CCO)c1[O-] ZINC000436740300 501201527 /nfs/dbraw/zinc/20/15/27/501201527.db2.gz YLCVTTYOGPTWEY-UHFFFAOYSA-N -1 3 371.824 3.462 20 0 FGADHM CCn1c2ccc(C)cc2nc1NC(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000436740647 501201556 /nfs/dbraw/zinc/20/15/56/501201556.db2.gz RBZPLTXHLKDZFK-UHFFFAOYSA-N -1 3 355.394 3.340 20 0 FGADHM CCC[C@@H]1CN(C(=O)c2c([O-])cccc2O)CCN1Cc1ccccc1 ZINC000436743143 501202491 /nfs/dbraw/zinc/20/24/91/501202491.db2.gz WYFIDMDGOOPVSY-QGZVFWFLSA-N -1 3 354.450 3.225 20 0 FGADHM CCc1nc(C(C)C)ccc1CN1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436747454 501202907 /nfs/dbraw/zinc/20/29/07/501202907.db2.gz AUBVFXHXYWMOGW-UHFFFAOYSA-N -1 3 367.493 3.431 20 0 FGADHM CCC[C@@H](C)[C@@H]1CCCN1C(=O)C(=O)[N-]c1sccc1C(=O)OCC ZINC000442168437 501203634 /nfs/dbraw/zinc/20/36/34/501203634.db2.gz QJKCXUGUCXZYFL-OCCSQVGLSA-N -1 3 366.483 3.291 20 0 FGADHM Cc1ccc(C(=O)NC2CCN(C(=O)Nc3ccccc3)CC2)c([O-])c1C ZINC000436757704 501206155 /nfs/dbraw/zinc/20/61/55/501206155.db2.gz WGMBMEYSKKOEOI-UHFFFAOYSA-N -1 3 367.449 3.435 20 0 FGADHM Cc1ccc(C(=O)NCc2cccnc2OCC(F)(F)F)c([O-])c1C ZINC000436760220 501206646 /nfs/dbraw/zinc/20/66/46/501206646.db2.gz NYKAZXBNYHXRCT-UHFFFAOYSA-N -1 3 354.328 3.275 20 0 FGADHM CC[C@@H](C)N(CC(=O)OC)C(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436766463 501207456 /nfs/dbraw/zinc/20/74/56/501207456.db2.gz DNECTBZXYJTTRQ-OAHLLOKOSA-N -1 3 371.433 3.385 20 0 FGADHM O=C(NCc1nc(-c2ccc([O-])cc2)no1)c1cc(-c2ccccc2)on1 ZINC000436771147 501208983 /nfs/dbraw/zinc/20/89/83/501208983.db2.gz XWNOADPHMACUQW-UHFFFAOYSA-N -1 3 362.345 3.027 20 0 FGADHM C[C@@H](CN(C)C(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])c1ccccc1 ZINC000436784363 501211027 /nfs/dbraw/zinc/21/10/27/501211027.db2.gz PMJMBUCHIJYBSQ-QFBILLFUSA-N -1 3 366.461 3.259 20 0 FGADHM COc1cc(-c2noc(-c3cnc4c(cnn4C(C)C)c3)n2)ccc1[O-] ZINC000436787626 501211619 /nfs/dbraw/zinc/21/16/19/501211619.db2.gz XRGGDUPVYGNSSX-UHFFFAOYSA-N -1 3 351.366 3.443 20 0 FGADHM CCCCOc1ccc(C(=O)N2CCN([C@@H]3C[C@H]3C)C[C@@H](C)C2)c([O-])c1 ZINC000436791470 501212370 /nfs/dbraw/zinc/21/23/70/501212370.db2.gz JQCPGPLGGRKIIU-GPMSIDNRSA-N -1 3 360.498 3.373 20 0 FGADHM CCc1ccc(C(=O)N[C@H](c2nccn2C)c2ccc(F)cc2)c([O-])c1 ZINC000436803295 501213768 /nfs/dbraw/zinc/21/37/68/501213768.db2.gz NVEMPUSEJPBCGG-SFHVURJKSA-N -1 3 353.397 3.347 20 0 FGADHM CCc1ccc(C(=O)Nc2cc(C(N)=O)ccc2N2CCCCC2)c([O-])c1 ZINC000436805610 501214219 /nfs/dbraw/zinc/21/42/19/501214219.db2.gz YAUSDNURKQJOKR-UHFFFAOYSA-N -1 3 367.449 3.296 20 0 FGADHM CCc1ccc(C(=O)N2CCC(NC(=O)c3ccc(F)cc3)CC2)c([O-])c1 ZINC000436808556 501214399 /nfs/dbraw/zinc/21/43/99/501214399.db2.gz LUFHBZYOQPPBNN-UHFFFAOYSA-N -1 3 370.424 3.128 20 0 FGADHM CCc1ccc(C(=O)N[C@H](CN2CCCC2=O)c2ccccc2)c([O-])c1 ZINC000436815739 501215977 /nfs/dbraw/zinc/21/59/77/501215977.db2.gz XQXWZIUSQFZEKB-GOSISDBHSA-N -1 3 352.434 3.048 20 0 FGADHM COc1ccc(-c2cnc(NC(=O)c3cccc(OC)c3[O-])n2C)cc1 ZINC000436819949 501216623 /nfs/dbraw/zinc/21/66/23/501216623.db2.gz KBFOWCYEGUBLGY-UHFFFAOYSA-N -1 3 353.378 3.062 20 0 FGADHM COCCN(Cc1scnc1C)C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436822820 501216633 /nfs/dbraw/zinc/21/66/33/501216633.db2.gz QUHLXZLFZFUGTC-UHFFFAOYSA-N -1 3 360.479 3.325 20 0 FGADHM COC(=O)[C@H](NC(=O)c1ccc(O)cc1[O-])c1ccc(Cl)cc1Cl ZINC000436831449 501217786 /nfs/dbraw/zinc/21/77/86/501217786.db2.gz GICCCNFWMRBPOR-CQSZACIVSA-N -1 3 370.188 3.049 20 0 FGADHM CC(C)O[C@H](CN1CCN(C(=O)c2ccc([O-])cc2)CC1)c1ccccc1 ZINC000436829311 501217910 /nfs/dbraw/zinc/21/79/10/501217910.db2.gz LIXDJKGWFAZVNR-OAQYLSRUSA-N -1 3 368.477 3.316 20 0 FGADHM O=C(c1ccc([O-])cc1)N1CCN([C@@H]2CCc3ccc(Cl)cc32)CC1 ZINC000436837045 501219108 /nfs/dbraw/zinc/21/91/08/501219108.db2.gz NIJQGRJYLVQWJG-LJQANCHMSA-N -1 3 356.853 3.491 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)NC[C@@H](c2ccccc2)C2CC2)c([O-])c1 ZINC000436835954 501219112 /nfs/dbraw/zinc/21/91/12/501219112.db2.gz BYWLGPPGRWPGIB-IBGZPJMESA-N -1 3 366.461 3.131 20 0 FGADHM COC(=O)[C@H]1CCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])[C@H]1C ZINC000436864358 501223592 /nfs/dbraw/zinc/22/35/92/501223592.db2.gz YOEVWCVGTAUJNR-YJBOKZPZSA-N -1 3 367.445 3.201 20 0 FGADHM CSC[C@H](C)C(=O)N1CCC(c2nc(-c3ccc([O-])cc3)no2)CC1 ZINC000436867522 501223861 /nfs/dbraw/zinc/22/38/61/501223861.db2.gz CMLXDKDONKPUDA-LBPRGKRZSA-N -1 3 361.467 3.147 20 0 FGADHM COC(=O)[C@@H]1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])[C@@H]1C ZINC000436866439 501224116 /nfs/dbraw/zinc/22/41/16/501224116.db2.gz XQFPHEMLBFUZQX-RHSMWYFYSA-N -1 3 353.418 3.007 20 0 FGADHM COc1cccc(C(=O)NC[C@@]2(Cc3ccc(F)cc3)CCC[C@H]2O)c1[O-] ZINC000436878837 501226022 /nfs/dbraw/zinc/22/60/22/501226022.db2.gz VAWMNQROVXNEAB-NQIIRXRSSA-N -1 3 373.424 3.044 20 0 FGADHM CCC[C@H](NC(=O)[C@@H](C)N1CCC[C@H](c2n[n-]c(=O)o2)C1)c1ccccc1 ZINC000450898694 501226066 /nfs/dbraw/zinc/22/60/66/501226066.db2.gz BVOHFOZBZYSPJG-PVAVHDDUSA-N -1 3 372.469 3.001 20 0 FGADHM Cn1[n-]c([C@@H]2CCCN2CCCOc2ccc(C(C)(C)C)cc2)nc1=N ZINC000450907312 501227458 /nfs/dbraw/zinc/22/74/58/501227458.db2.gz FZJDIILCPVVELZ-KRWDZBQOSA-N -1 3 357.502 3.131 20 0 FGADHM Cn1[n-]c([C@H]2CCCN2CCCOc2cccc(C(C)(C)C)c2)nc1=N ZINC000450907293 501227737 /nfs/dbraw/zinc/22/77/37/501227737.db2.gz FUIQACNPKFVCLM-QGZVFWFLSA-N -1 3 357.502 3.131 20 0 FGADHM NC(=O)Nc1ccc(-c2noc(-c3cc4c(cc3[O-])CCCC4)n2)cc1 ZINC000436892182 501228411 /nfs/dbraw/zinc/22/84/11/501228411.db2.gz IKDOERJBEAWTPF-UHFFFAOYSA-N -1 3 350.378 3.479 20 0 FGADHM C[C@@H]1C[C@@H]1CNC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436908783 501230666 /nfs/dbraw/zinc/23/06/66/501230666.db2.gz KAELNTYYRIZFBB-BJZITVGISA-N -1 3 352.434 3.026 20 0 FGADHM CCN1CCN(c2ccc(-c3noc(-c4ccccc4[O-])n3)cc2F)CC1 ZINC000436915495 501232029 /nfs/dbraw/zinc/23/20/29/501232029.db2.gz QTYWNLIJQKULCF-UHFFFAOYSA-N -1 3 368.412 3.390 20 0 FGADHM COc1cc(C)sc1C(=O)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1 ZINC000436915378 501232273 /nfs/dbraw/zinc/23/22/73/501232273.db2.gz OHVMTYSOIBSDDR-UHFFFAOYSA-N -1 3 364.814 3.462 20 0 FGADHM Cc1nnc(CCNC(=O)c2cc(OCc3ccccc3)ccc2[O-])s1 ZINC000436927425 501233853 /nfs/dbraw/zinc/23/38/53/501233853.db2.gz NLTNKUQIWLEAQE-UHFFFAOYSA-N -1 3 369.446 3.104 20 0 FGADHM COc1cccc(-c2nc(-c3ccc4c(c3)[C@@H](SC)C(=O)N4)no2)c1[O-] ZINC000436926898 501233917 /nfs/dbraw/zinc/23/39/17/501233917.db2.gz MCCIKMPPQSXXSZ-OAHLLOKOSA-N -1 3 369.402 3.474 20 0 FGADHM CCOC(=O)[C@@H](NC(=O)Cc1ccc([O-])c(F)c1)c1cccc(C)c1C ZINC000450964783 501235464 /nfs/dbraw/zinc/23/54/64/501235464.db2.gz ZMWGSYMHNKIROP-IBGZPJMESA-N -1 3 359.397 3.111 20 0 FGADHM CCCCn1ccnc1-c1cccc([N-]S(=O)(=O)C[C@@H](C)OC)c1 ZINC000450978818 501236679 /nfs/dbraw/zinc/23/66/79/501236679.db2.gz FXGGUGLLKFIHEN-CQSZACIVSA-N -1 3 351.472 3.127 20 0 FGADHM O=S(=O)([N-]CC(F)(F)C(F)F)c1cccc2c(Cl)ccnc21 ZINC000451017207 501239422 /nfs/dbraw/zinc/23/94/22/501239422.db2.gz UOKQWSVXXGYXJB-UHFFFAOYSA-N -1 3 356.728 3.067 20 0 FGADHM Cn1nc(C(=O)Nc2ccc(OC(F)(F)F)cc2[O-])c2c1CCCC2 ZINC000451024615 501239964 /nfs/dbraw/zinc/23/99/64/501239964.db2.gz OBBVSXBPMSURIP-UHFFFAOYSA-N -1 3 355.316 3.155 20 0 FGADHM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCC3)cc1 ZINC000451078183 501243809 /nfs/dbraw/zinc/24/38/09/501243809.db2.gz FERNSIWQMIDYJR-UHFFFAOYSA-N -1 3 358.463 3.349 20 0 FGADHM Cc1csc(S(=O)(=O)[N-]Cc2ccc(OC3CCCC3)nc2)c1 ZINC000451082157 501244243 /nfs/dbraw/zinc/24/42/43/501244243.db2.gz TZZDWHJEJPHTLG-UHFFFAOYSA-N -1 3 352.481 3.251 20 0 FGADHM Cc1csc(S(=O)(=O)[N-][C@@H]2CCN([C@H](C)c3ccccc3)C2)c1 ZINC000451106343 501246083 /nfs/dbraw/zinc/24/60/83/501246083.db2.gz OGHYULQXBNUXGG-GDBMZVCRSA-N -1 3 350.509 3.170 20 0 FGADHM Cc1csc(S(=O)(=O)[N-]C[C@@H](c2ccc(C)o2)N2CCCC2)c1 ZINC000451155260 501248717 /nfs/dbraw/zinc/24/87/17/501248717.db2.gz OZLNHBWVGVBVGD-AWEZNQCLSA-N -1 3 354.497 3.073 20 0 FGADHM CCO[C@H]1C[C@@](CO)(NC(=O)CCc2ccc3ccccc3c2[O-])C1(C)C ZINC000451214075 501252734 /nfs/dbraw/zinc/25/27/34/501252734.db2.gz BSXDMANLVIRQIR-AVRDEDQJSA-N -1 3 371.477 3.160 20 0 FGADHM CCO[C@@H]1C[C@](CO)(NC(=O)CCc2ccc3ccccc3c2[O-])C1(C)C ZINC000451214078 501252736 /nfs/dbraw/zinc/25/27/36/501252736.db2.gz BSXDMANLVIRQIR-XMSQKQJNSA-N -1 3 371.477 3.160 20 0 FGADHM CCOc1ccncc1S(=O)(=O)[N-]CC1CCC(C(F)(F)F)CC1 ZINC000451268361 501256458 /nfs/dbraw/zinc/25/64/58/501256458.db2.gz DESHKIWRXFLARR-UHFFFAOYSA-N -1 3 366.405 3.127 20 0 FGADHM CC(C)C[C@@H](CCO)C[N-]S(=O)(=O)c1ccc2ccccc2c1F ZINC000451275643 501256834 /nfs/dbraw/zinc/25/68/34/501256834.db2.gz RRQBUUOFVWLMQB-CQSZACIVSA-N -1 3 353.459 3.302 20 0 FGADHM CCOC(=O)[C@H]([N-]S(=O)(=O)C1CCC(C(F)(F)F)CC1)[C@@H](C)CC ZINC000451287455 501257574 /nfs/dbraw/zinc/25/75/74/501257574.db2.gz UNDVKOFAHRGNKT-YWPUVAFDSA-N -1 3 373.437 3.005 20 0 FGADHM Cc1csc(S(=O)(=O)[N-][C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)c1 ZINC000451293552 501258742 /nfs/dbraw/zinc/25/87/42/501258742.db2.gz WCUQMEFXXCVVOQ-DOTOQJQBSA-N -1 3 364.536 3.388 20 0 FGADHM CCOc1ccncc1S(=O)(=O)[N-][C@H]1CC(C)(C)Oc2ccccc21 ZINC000451310399 501262046 /nfs/dbraw/zinc/26/20/46/501262046.db2.gz HEELPJZORULMTD-AWEZNQCLSA-N -1 3 362.451 3.061 20 0 FGADHM Cc1csc(S(=O)(=O)[N-]C[C@@H](C)c2nc(-c3ccccc3)no2)c1 ZINC000451353216 501273071 /nfs/dbraw/zinc/27/30/71/501273071.db2.gz NBCXZYGFTDOPNO-GFCCVEGCSA-N -1 3 363.464 3.189 20 0 FGADHM COC(=O)c1ncccc1S(=O)(=O)[N-][C@H]1CCC[C@@H](C(C)(C)C)CC1 ZINC000451431469 501292545 /nfs/dbraw/zinc/29/25/45/501292545.db2.gz KDCYDLQQISASEB-KGLIPLIRSA-N -1 3 368.499 3.142 20 0 FGADHM COC(=O)c1ncccc1S(=O)(=O)[N-][C@H]1CCC[C@H](C(C)(C)C)CC1 ZINC000451431467 501292724 /nfs/dbraw/zinc/29/27/24/501292724.db2.gz KDCYDLQQISASEB-KBPBESRZSA-N -1 3 368.499 3.142 20 0 FGADHM O=C(Cc1ccccc1OC1CCCC1)NCc1nnc(C(F)(F)F)[n-]1 ZINC000457728775 501296066 /nfs/dbraw/zinc/29/60/66/501296066.db2.gz JYMZWSSWNSDTFH-UHFFFAOYSA-N -1 3 368.359 3.004 20 0 FGADHM O=C(Cc1ccccc1OC1CCCC1)NCc1n[n-]c(C(F)(F)F)n1 ZINC000457728775 501296067 /nfs/dbraw/zinc/29/60/67/501296067.db2.gz JYMZWSSWNSDTFH-UHFFFAOYSA-N -1 3 368.359 3.004 20 0 FGADHM O=C(Cc1ccccc1OC1CCCC1)NCc1nc(C(F)(F)F)n[n-]1 ZINC000457728775 501296070 /nfs/dbraw/zinc/29/60/70/501296070.db2.gz JYMZWSSWNSDTFH-UHFFFAOYSA-N -1 3 368.359 3.004 20 0 FGADHM CN(C)C[C@H](NC(=O)Cc1ccc([O-])c(F)c1)c1ccc(Cl)cc1 ZINC000451525641 501312983 /nfs/dbraw/zinc/31/29/83/501312983.db2.gz ATSYXDYEOQCXSK-INIZCTEOSA-N -1 3 350.821 3.146 20 0 FGADHM CCC[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1Br)OC ZINC000451642922 501342814 /nfs/dbraw/zinc/34/28/14/501342814.db2.gz ZJZHJUKHUIGJAG-JTQLQIEISA-N -1 3 370.696 3.196 20 0 FGADHM COc1ccc(CNCCOCC2CCCC2)c(Br)c1[O-] ZINC000453590874 501355856 /nfs/dbraw/zinc/35/58/56/501355856.db2.gz YTZPCKKAUBYBRI-UHFFFAOYSA-N -1 3 358.276 3.460 20 0 FGADHM CC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c2ccccc21)[C@@H](O)C(F)F ZINC000451712280 501358170 /nfs/dbraw/zinc/35/81/70/501358170.db2.gz NKQABGLZUAKYGA-TZMCWYRMSA-N -1 3 363.813 3.176 20 0 FGADHM C[C@H](CCCCO)[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000451718619 501359466 /nfs/dbraw/zinc/35/94/66/501359466.db2.gz GRMPZLPRULPISO-LLVKDONJSA-N -1 3 374.915 3.293 20 0 FGADHM CC[C@@](C)(C[N-]S(=O)(=O)c1cc(Cl)ccc1Br)OC ZINC000451793899 501373159 /nfs/dbraw/zinc/37/31/59/501373159.db2.gz FOALLRCJXLDWQE-LBPRGKRZSA-N -1 3 370.696 3.196 20 0 FGADHM COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)[N-]C(C)(C)C1CCC1 ZINC000451865638 501388656 /nfs/dbraw/zinc/38/86/56/501388656.db2.gz KQGQTXUGPCBGLL-UHFFFAOYSA-N -1 3 374.890 3.164 20 0 FGADHM Cc1cc(NC(=O)c2cc(F)c(F)c([O-])c2F)ccc1OCCN(C)C ZINC000458222802 501397506 /nfs/dbraw/zinc/39/75/06/501397506.db2.gz VRVONNQDBMWYFB-UHFFFAOYSA-N -1 3 368.355 3.311 20 0 FGADHM CCn1ccnc1[C@@H](C)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000451932567 501403305 /nfs/dbraw/zinc/40/33/05/501403305.db2.gz NEYAQUCYGBMBMZ-SECBINFHSA-N -1 3 365.352 3.100 20 0 FGADHM CCC1(C[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)COC1 ZINC000451951139 501406636 /nfs/dbraw/zinc/40/66/36/501406636.db2.gz KDJIUMNKSRVBEC-UHFFFAOYSA-N -1 3 357.781 3.064 20 0 FGADHM CC[C@@H]([N-]S(=O)(=O)c1ccc(-c2csc(C)n2)s1)[C@@H](O)CC ZINC000451981174 501412729 /nfs/dbraw/zinc/41/27/29/501412729.db2.gz SCDBJCNCEMENHA-PWSUYJOCSA-N -1 3 360.526 3.008 20 0 FGADHM Cc1ccc(F)c(S(=O)(=O)[N-][C@@H](c2cccs2)C2(CO)CCC2)c1 ZINC000452090297 501432734 /nfs/dbraw/zinc/43/27/34/501432734.db2.gz QPWKHKQHINHPEC-INIZCTEOSA-N -1 3 369.483 3.378 20 0 FGADHM COC(=O)c1nc(NC(=O)Cc2ccc([O-])c(F)c2)sc1C(C)C ZINC000452132345 501443093 /nfs/dbraw/zinc/44/30/93/501443093.db2.gz DNKBTXSKSDCUPY-UHFFFAOYSA-N -1 3 352.387 3.079 20 0 FGADHM CC/C=C\CNC(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000456091711 501452797 /nfs/dbraw/zinc/45/27/97/501452797.db2.gz GSTKFVADPJMFIL-PLNGDYQASA-N -1 3 359.451 3.034 20 0 FGADHM CCC1(NC(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)CCCCC1 ZINC000456221878 501476962 /nfs/dbraw/zinc/47/69/62/501476962.db2.gz SONCSWUZSQQSAV-UHFFFAOYSA-N -1 3 368.481 3.302 20 0 FGADHM O=C(CCc1ccc2ccccc2c1[O-])N1CC[C@@H]2C[C@H](O)CC[C@H]2C1 ZINC000456308850 501493586 /nfs/dbraw/zinc/49/35/86/501493586.db2.gz PDXXGVQNAJZHTC-CEXWTWQISA-N -1 3 353.462 3.488 20 0 FGADHM O=C(c1ccc2c(c1[O-])CCCC2)N1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000452492090 501512558 /nfs/dbraw/zinc/51/25/58/501512558.db2.gz VBEDRCLOEJQXGW-UGKGYDQZSA-N -1 3 369.436 3.211 20 0 FGADHM CCC[C@H](NC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O)C(C)(C)C ZINC000452658319 501539703 /nfs/dbraw/zinc/53/97/03/501539703.db2.gz DHHGVSDNJTUTBX-KRWDZBQOSA-N -1 3 370.497 3.404 20 0 FGADHM O=C(NCc1ncc(C(F)(F)F)cn1)c1cc2c(cc1[O-])CCCC2 ZINC000452705448 501548343 /nfs/dbraw/zinc/54/83/43/501548343.db2.gz RPIMQKIOTXDFPK-UHFFFAOYSA-N -1 3 351.328 3.010 20 0 FGADHM O=S(=O)([N-]CCOc1ccc(F)c(F)c1)c1cccc(Cl)c1F ZINC000592819263 506261573 /nfs/dbraw/zinc/26/15/73/506261573.db2.gz ZGFJGDHVTJHKJU-UHFFFAOYSA-N -1 3 365.760 3.115 20 0 FGADHM COCc1ccc(CS(=O)(=O)c2nc(C)c(Cc3ccccc3)[n-]2)cc1 ZINC000453018228 501602043 /nfs/dbraw/zinc/60/20/43/501602043.db2.gz IEJAOOJJMUGEPW-UHFFFAOYSA-N -1 3 370.474 3.429 20 0 FGADHM COCc1ccc(CS(=O)(=O)c2nc(Cc3ccccc3)c(C)[n-]2)cc1 ZINC000453018228 501602045 /nfs/dbraw/zinc/60/20/45/501602045.db2.gz IEJAOOJJMUGEPW-UHFFFAOYSA-N -1 3 370.474 3.429 20 0 FGADHM CCC[C@@H](NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)C1CCCC1 ZINC000459280659 501624469 /nfs/dbraw/zinc/62/44/69/501624469.db2.gz KTJLMSXDPWJVQJ-LJQANCHMSA-N -1 3 373.497 3.219 20 0 FGADHM COc1ccccc1CN(CCO)Cc1cccc([O-])c1Br ZINC000459296946 501626466 /nfs/dbraw/zinc/62/64/66/501626466.db2.gz HUKZROOBQNAQRH-UHFFFAOYSA-N -1 3 366.255 3.158 20 0 FGADHM O=c1cc(CN2CCN(Cc3ccc(Cl)s3)CC2)nc(C2CC2)[n-]1 ZINC000459300889 501627314 /nfs/dbraw/zinc/62/73/14/501627314.db2.gz QVUWICHXGFLZLW-UHFFFAOYSA-N -1 3 364.902 3.092 20 0 FGADHM O=c1cc(CN2CCCN(c3nccs3)CC2)nc(-c2ccccc2)[n-]1 ZINC000459311223 501628789 /nfs/dbraw/zinc/62/87/89/501628789.db2.gz VQEBYYCQBQAGDO-UHFFFAOYSA-N -1 3 367.478 3.018 20 0 FGADHM CCOC(=O)CN(Cc1cc(=O)[n-]c(C2CC2)n1)[C@H](C)c1ccccc1 ZINC000459372630 501641919 /nfs/dbraw/zinc/64/19/19/501641919.db2.gz JIXVAYSEEISXEZ-CQSZACIVSA-N -1 3 355.438 3.186 20 0 FGADHM O=c1cc(CN2CCCC[C@@H]2[C@H](O)C(F)(F)F)nc(-c2ccccc2)[n-]1 ZINC000459378317 501642467 /nfs/dbraw/zinc/64/24/67/501642467.db2.gz QQHMOSUSTUQNKZ-ZBFHGGJFSA-N -1 3 367.371 3.127 20 0 FGADHM [O-]c1cccc(CNC2CCN(CC(F)(F)F)CC2)c1Br ZINC000459402768 501647418 /nfs/dbraw/zinc/64/74/18/501647418.db2.gz PMOUERFNZVJPFB-UHFFFAOYSA-N -1 3 367.209 3.271 20 0 FGADHM CN(Cc1cn2c(n1)CCCC2)Cc1cccc([O-])c1Br ZINC000459510658 501667027 /nfs/dbraw/zinc/66/70/27/501667027.db2.gz PFSNUSSVCLBYQD-UHFFFAOYSA-N -1 3 350.260 3.320 20 0 FGADHM CCOc1cc(CN(CC(F)F)C[C@H](C)O)cc(Br)c1[O-] ZINC000459563617 501677495 /nfs/dbraw/zinc/67/74/95/501677495.db2.gz DOBVAPSMODCZCM-VIFPVBQESA-N -1 3 368.218 3.001 20 0 FGADHM CCC1(NC(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)CCCC1 ZINC000455068117 501681934 /nfs/dbraw/zinc/68/19/34/501681934.db2.gz QMLJDOZQHRQIKQ-UHFFFAOYSA-N -1 3 369.462 3.111 20 0 FGADHM COc1ccc(CNCc2ccc(C)c(C)n2)c(Br)c1[O-] ZINC000459659539 501693977 /nfs/dbraw/zinc/69/39/77/501693977.db2.gz DHJLPBITGCHQAN-UHFFFAOYSA-N -1 3 351.244 3.465 20 0 FGADHM Cc1nc(C)c(CC(=O)Nc2cc(F)c(Br)cc2C)c(=O)[n-]1 ZINC000474172554 501729844 /nfs/dbraw/zinc/72/98/44/501729844.db2.gz ULONUIQTTLSURM-UHFFFAOYSA-N -1 3 368.206 3.190 20 0 FGADHM COC(=O)c1c(F)ccc([N-]C(=O)c2cn3cc(C)nc3s2)c1F ZINC000485158160 501743063 /nfs/dbraw/zinc/74/30/63/501743063.db2.gz JGVWKKNDYGBBLH-UHFFFAOYSA-N -1 3 351.334 3.021 20 0 FGADHM CC(C)c1nn(C)c2sc(C(=O)Nc3ccc(-c4nn[n-]n4)cc3)cc12 ZINC000463610029 501774920 /nfs/dbraw/zinc/77/49/20/501774920.db2.gz IEZAMDXRKDZMAS-UHFFFAOYSA-N -1 3 367.438 3.191 20 0 FGADHM Cc1ccc([C@H]2OCCC[C@@H]2C(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000463615561 501775301 /nfs/dbraw/zinc/77/53/01/501775301.db2.gz XCWYGMSNKCXLBU-ZWKOTPCHSA-N -1 3 363.421 3.282 20 0 FGADHM Cc1ccc([C@H]2OCCC[C@@H]2C(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000463615561 501775303 /nfs/dbraw/zinc/77/53/03/501775303.db2.gz XCWYGMSNKCXLBU-ZWKOTPCHSA-N -1 3 363.421 3.282 20 0 FGADHM CCC1(CC)CCCN(C(=O)[C@H](C)[N-]S(=O)(=O)c2cccs2)CC1 ZINC000470708039 501777465 /nfs/dbraw/zinc/77/74/65/501777465.db2.gz RNWXHWHPUOSTQK-AWEZNQCLSA-N -1 3 372.556 3.234 20 0 FGADHM CC1(C)CN(C(=O)NCc2ccc([O-])c(Br)c2)[C@@H]1C1CC1 ZINC000460357987 501802781 /nfs/dbraw/zinc/80/27/81/501802781.db2.gz JNMXIXKUZMMCFN-CQSZACIVSA-N -1 3 353.260 3.485 20 0 FGADHM CCCC(=O)Nc1ccc(C(=O)[C@H](C)Sc2n[n-]c(COC)n2)cc1 ZINC000474383287 501815735 /nfs/dbraw/zinc/81/57/35/501815735.db2.gz AQPWTPOZWQOTLM-NSHDSACASA-N -1 3 362.455 3.053 20 0 FGADHM CCN=c1[n-]c(C(=O)N[C@@H](C)[C@H](OC)c2ccccc2Cl)cs1 ZINC000485427695 501818698 /nfs/dbraw/zinc/81/86/98/501818698.db2.gz DFTDVJRUXLYDKO-HZMBPMFUSA-N -1 3 353.875 3.156 20 0 FGADHM COCc1nc(S[C@H](C)C(=O)c2cc(C)n(Cc3ccco3)c2C)n[n-]1 ZINC000474394468 501820258 /nfs/dbraw/zinc/82/02/58/501820258.db2.gz YQMKZWAAVIAOKU-CYBMUJFWSA-N -1 3 374.466 3.374 20 0 FGADHM O=S(=O)([N-]CCc1cn2ccccc2n1)c1ccc(Cl)cc1Cl ZINC000485444436 501822491 /nfs/dbraw/zinc/82/24/91/501822491.db2.gz YWYJJZCEIZUBND-UHFFFAOYSA-N -1 3 370.261 3.162 20 0 FGADHM O=S(=O)(Cc1ccccc1C(F)(F)F)[N-]c1ccnc2ccncc12 ZINC000485447047 501823302 /nfs/dbraw/zinc/82/33/02/501823302.db2.gz XJMICMOWAUGTHG-UHFFFAOYSA-N -1 3 367.352 3.012 20 0 FGADHM CCOC(=O)c1c(C(C)C)csc1[N-]C(=O)C(=O)N(C)[C@H](C)C(C)C ZINC000467628969 501835904 /nfs/dbraw/zinc/83/59/04/501835904.db2.gz KIIPYLRYEARCIE-GFCCVEGCSA-N -1 3 368.499 3.490 20 0 FGADHM CCOC(=O)c1c(C(C)C)csc1[N-]C(=O)C(=O)N(C)[C@@H](C)C(C)C ZINC000467628971 501836171 /nfs/dbraw/zinc/83/61/71/501836171.db2.gz KIIPYLRYEARCIE-LBPRGKRZSA-N -1 3 368.499 3.490 20 0 FGADHM C[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000470903553 501848359 /nfs/dbraw/zinc/84/83/59/501848359.db2.gz JVCGTSNQYZAUGF-ZDUSSCGKSA-N -1 3 359.389 3.426 20 0 FGADHM C[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000470903553 501848363 /nfs/dbraw/zinc/84/83/63/501848363.db2.gz JVCGTSNQYZAUGF-ZDUSSCGKSA-N -1 3 359.389 3.426 20 0 FGADHM O=C(N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1)c1cc2ccccc2[nH]c1=O ZINC000467709278 501849311 /nfs/dbraw/zinc/84/93/11/501849311.db2.gz SDDKWYKSTHHGAM-UHFFFAOYSA-N -1 3 366.327 3.283 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)[C@H](c1ccccc1)N(C)C ZINC000474573546 501880924 /nfs/dbraw/zinc/88/09/24/501880924.db2.gz IHFXMWAPZYJKMV-APPDUMDISA-N -1 3 372.412 3.074 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]CCCSc2ccccc2)c(F)c1 ZINC000478149574 501893642 /nfs/dbraw/zinc/89/36/42/501893642.db2.gz ZKLLKQBXEZDDGR-UHFFFAOYSA-N -1 3 355.456 3.295 20 0 FGADHM CCCCc1nc(C(=O)OCC)c(NC(=O)[C@H]2CC(=O)c3ccccc32)[n-]1 ZINC000485667512 501893643 /nfs/dbraw/zinc/89/36/43/501893643.db2.gz AWMAJFMWIZDKSS-AWEZNQCLSA-N -1 3 369.421 3.238 20 0 FGADHM CCCCc1nc(NC(=O)[C@H]2CC(=O)c3ccccc32)c(C(=O)OCC)[n-]1 ZINC000485667512 501893649 /nfs/dbraw/zinc/89/36/49/501893649.db2.gz AWMAJFMWIZDKSS-AWEZNQCLSA-N -1 3 369.421 3.238 20 0 FGADHM CCCCc1nc(C(=O)OCC)c(NC(=O)c2cc(F)cc(F)c2)[n-]1 ZINC000485677514 501897667 /nfs/dbraw/zinc/89/76/67/501897667.db2.gz ZBXLXQUIRDEHON-UHFFFAOYSA-N -1 3 351.353 3.460 20 0 FGADHM CCCCc1nc(NC(=O)c2cc(F)cc(F)c2)c(C(=O)OCC)[n-]1 ZINC000485677514 501897671 /nfs/dbraw/zinc/89/76/71/501897671.db2.gz ZBXLXQUIRDEHON-UHFFFAOYSA-N -1 3 351.353 3.460 20 0 FGADHM CCCCc1nc(C(=O)OCC)c(NC(=O)c2oc(CC3CC3)nc2C)[n-]1 ZINC000485696648 501904376 /nfs/dbraw/zinc/90/43/76/501904376.db2.gz AZDDHQKLVTZPBF-UHFFFAOYSA-N -1 3 374.441 3.430 20 0 FGADHM CCCCc1nc(NC(=O)c2oc(CC3CC3)nc2C)c(C(=O)OCC)[n-]1 ZINC000485696648 501904382 /nfs/dbraw/zinc/90/43/82/501904382.db2.gz AZDDHQKLVTZPBF-UHFFFAOYSA-N -1 3 374.441 3.430 20 0 FGADHM CCc1cc(C(=O)N[C@H](C)c2cc(OC)c(OC)c(OC)c2)ccc1[O-] ZINC000485706410 501909094 /nfs/dbraw/zinc/90/90/94/501909094.db2.gz ANFNWHKYBLVONG-GFCCVEGCSA-N -1 3 359.422 3.471 20 0 FGADHM CCCOc1ccc(CN(CCC)C(=O)c2cc(C)nc(=O)[n-]2)cc1OC ZINC000481905972 501913918 /nfs/dbraw/zinc/91/39/18/501913918.db2.gz GUJUKOLUUKRDCR-UHFFFAOYSA-N -1 3 373.453 3.340 20 0 FGADHM CC(C)(CCCc1ccccc1)C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000481910706 501916344 /nfs/dbraw/zinc/91/63/44/501916344.db2.gz OENYBCIKKPPYBL-UHFFFAOYSA-N -1 3 354.376 3.489 20 0 FGADHM CC(C)(CCCc1ccccc1)C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000481910706 501916350 /nfs/dbraw/zinc/91/63/50/501916350.db2.gz OENYBCIKKPPYBL-UHFFFAOYSA-N -1 3 354.376 3.489 20 0 FGADHM CC(C)(CCCc1ccccc1)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000481910706 501916354 /nfs/dbraw/zinc/91/63/54/501916354.db2.gz OENYBCIKKPPYBL-UHFFFAOYSA-N -1 3 354.376 3.489 20 0 FGADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)c1cc(Cl)ccc1OC(F)F ZINC000481919794 501919092 /nfs/dbraw/zinc/91/90/92/501919092.db2.gz ISRSFRACVOZELR-UHFFFAOYSA-N -1 3 370.665 3.008 20 0 FGADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)c1cc(Cl)ccc1OC(F)F ZINC000481919794 501919098 /nfs/dbraw/zinc/91/90/98/501919098.db2.gz ISRSFRACVOZELR-UHFFFAOYSA-N -1 3 370.665 3.008 20 0 FGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1cc(Cl)ccc1OC(F)F ZINC000481919794 501919105 /nfs/dbraw/zinc/91/91/05/501919105.db2.gz ISRSFRACVOZELR-UHFFFAOYSA-N -1 3 370.665 3.008 20 0 FGADHM Cc1nc(C(F)(F)F)sc1C(=O)[N-]c1nc2ccc(Cl)cn2n1 ZINC000464200524 501919933 /nfs/dbraw/zinc/91/99/33/501919933.db2.gz PCTAECIUYXYJJU-UHFFFAOYSA-N -1 3 361.736 3.419 20 0 FGADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)C(c1ccccc1)c1ccccc1 ZINC000481928765 501921402 /nfs/dbraw/zinc/92/14/02/501921402.db2.gz BCVURGWCARDLEJ-UHFFFAOYSA-N -1 3 360.339 3.272 20 0 FGADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)C(c1ccccc1)c1ccccc1 ZINC000481928765 501921404 /nfs/dbraw/zinc/92/14/04/501921404.db2.gz BCVURGWCARDLEJ-UHFFFAOYSA-N -1 3 360.339 3.272 20 0 FGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)C(c1ccccc1)c1ccccc1 ZINC000481928765 501921406 /nfs/dbraw/zinc/92/14/06/501921406.db2.gz BCVURGWCARDLEJ-UHFFFAOYSA-N -1 3 360.339 3.272 20 0 FGADHM CCOCc1cccc([N-]S(=O)(=O)CCOc2ccc(OC)cc2)c1 ZINC000460818805 501928726 /nfs/dbraw/zinc/92/87/26/501928726.db2.gz GBTXIQGFELXMMO-UHFFFAOYSA-N -1 3 365.451 3.052 20 0 FGADHM CC[C@@H](C)n1ncc(C(=O)Nc2nc3cccc(C(=O)OC)c3[n-]2)c1C ZINC000478324031 501943833 /nfs/dbraw/zinc/94/38/33/501943833.db2.gz GRSPNIXLWAYGGV-SNVBAGLBSA-N -1 3 355.398 3.078 20 0 FGADHM CC[C@@H](C)n1ncc(C(=O)Nc2nc3c(cccc3C(=O)OC)[n-]2)c1C ZINC000478324031 501943834 /nfs/dbraw/zinc/94/38/34/501943834.db2.gz GRSPNIXLWAYGGV-SNVBAGLBSA-N -1 3 355.398 3.078 20 0 FGADHM CCc1ncc(S(=O)(=O)[N-][C@H](C)[C@H](OC)c2ccccc2Cl)s1 ZINC000460899250 501954141 /nfs/dbraw/zinc/95/41/41/501954141.db2.gz JIKHJEYSOONBMY-BMIGLBTASA-N -1 3 374.915 3.413 20 0 FGADHM CC[C@@H]1CC[C@@H](C)N1C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482055493 501959243 /nfs/dbraw/zinc/95/92/43/501959243.db2.gz YPKOGQYLOABYTG-ZYHUDNBSSA-N -1 3 351.248 3.314 20 0 FGADHM CCc1ncc(S(=O)(=O)[N-][C@@H]2CCCc3cc(OC)ccc32)s1 ZINC000460941958 501965473 /nfs/dbraw/zinc/96/54/73/501965473.db2.gz ZNXRJNFAUVRBDS-CQSZACIVSA-N -1 3 352.481 3.070 20 0 FGADHM Cc1cc(NCc2ccc([O-])c(Br)c2)nc(-c2ccccn2)n1 ZINC000482093363 501973240 /nfs/dbraw/zinc/97/32/40/501973240.db2.gz JHLPRJWGADWDPJ-UHFFFAOYSA-N -1 3 371.238 3.349 20 0 FGADHM O=C(Nc1nnc(-c2ccccn2)[n-]1)c1ccc(OCc2ccccn2)cc1 ZINC000460974654 501976632 /nfs/dbraw/zinc/97/66/32/501976632.db2.gz XJEJIHXNBCQJBM-UHFFFAOYSA-N -1 3 372.388 3.093 20 0 FGADHM O=C(Nc1nc(-c2ccccn2)n[n-]1)c1ccc(OCc2ccccn2)cc1 ZINC000460974654 501976635 /nfs/dbraw/zinc/97/66/35/501976635.db2.gz XJEJIHXNBCQJBM-UHFFFAOYSA-N -1 3 372.388 3.093 20 0 FGADHM O=C(Nc1n[n-]c(-c2ccccn2)n1)c1ccc(OCc2ccccn2)cc1 ZINC000460974654 501976643 /nfs/dbraw/zinc/97/66/43/501976643.db2.gz XJEJIHXNBCQJBM-UHFFFAOYSA-N -1 3 372.388 3.093 20 0 FGADHM COCCNc1ccccc1CNC(=O)CCCc1ccc([O-])c(F)c1 ZINC000471280566 501977377 /nfs/dbraw/zinc/97/73/77/501977377.db2.gz VYYQAWUVNXJGIW-UHFFFAOYSA-N -1 3 360.429 3.229 20 0 FGADHM O=C([N-]c1ccc(-c2nc[nH]n2)cc1F)c1cnc([C@H]2CCCO2)s1 ZINC000468191718 501983403 /nfs/dbraw/zinc/98/34/03/501983403.db2.gz JYNHFEIPIJGOKQ-GFCCVEGCSA-N -1 3 359.386 3.171 20 0 FGADHM CCCn1ccc2cc(NC(=O)CNC(=O)c3cccc([O-])c3)ccc21 ZINC000471373265 502002329 /nfs/dbraw/zinc/00/23/29/502002329.db2.gz LSUKYWUQKPQUEP-UHFFFAOYSA-N -1 3 351.406 3.125 20 0 FGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)NC1(c2ccccc2)CC1 ZINC000482189130 502002529 /nfs/dbraw/zinc/00/25/29/502002529.db2.gz VCXWGYSLAKTLSG-UHFFFAOYSA-N -1 3 371.238 3.330 20 0 FGADHM O=C(NCc1cccc(Cn2cnc3ccccc32)c1)c1csc(=O)[n-]1 ZINC000471391425 502008039 /nfs/dbraw/zinc/00/80/39/502008039.db2.gz RNKQJVIGFDMLQP-UHFFFAOYSA-N -1 3 364.430 3.177 20 0 FGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)N[C@H]1CCc2ccccc21 ZINC000482211167 502008193 /nfs/dbraw/zinc/00/81/93/502008193.db2.gz OCJZNIBKSQXQPX-HNNXBMFYSA-N -1 3 371.238 3.328 20 0 FGADHM CC(C)c1cccc(O[C@@H](C)C(=O)NCc2nnc(C(F)(F)F)[n-]2)c1 ZINC000482215677 502009446 /nfs/dbraw/zinc/00/94/46/502009446.db2.gz BXUCDCXKYSDWPT-JTQLQIEISA-N -1 3 356.348 3.031 20 0 FGADHM CC(C)c1cccc(O[C@@H](C)C(=O)NCc2n[n-]c(C(F)(F)F)n2)c1 ZINC000482215677 502009452 /nfs/dbraw/zinc/00/94/52/502009452.db2.gz BXUCDCXKYSDWPT-JTQLQIEISA-N -1 3 356.348 3.031 20 0 FGADHM CC(C)c1cccc(O[C@@H](C)C(=O)NCc2nc(C(F)(F)F)n[n-]2)c1 ZINC000482215677 502009458 /nfs/dbraw/zinc/00/94/58/502009458.db2.gz BXUCDCXKYSDWPT-JTQLQIEISA-N -1 3 356.348 3.031 20 0 FGADHM CCc1cc(=O)[n-]c(CN2CCN([C@@H](C)c3ccc(Cl)cc3)CC2)n1 ZINC000468277660 502014774 /nfs/dbraw/zinc/01/47/74/502014774.db2.gz NOXMKGIMTCVFQH-AWEZNQCLSA-N -1 3 360.889 3.277 20 0 FGADHM O=C(CCCc1ccc([O-])c(F)c1)NCc1cccc(Cn2ccnc2)c1 ZINC000468313489 502022300 /nfs/dbraw/zinc/02/23/00/502022300.db2.gz VLWBADZUGMGOIL-UHFFFAOYSA-N -1 3 367.424 3.415 20 0 FGADHM O=c1cc(C=Cc2ncc(C(F)(F)F)s2)nc(-c2ccncc2)[n-]1 ZINC000486053305 502031869 /nfs/dbraw/zinc/03/18/69/502031869.db2.gz QGLAZUJBRQXWSE-UPHRSURJSA-N -1 3 350.325 3.478 20 0 FGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)c2cnc3ccccc3c2C)c1 ZINC000482299872 502034428 /nfs/dbraw/zinc/03/44/28/502034428.db2.gz RXSWWUQHELPDJH-UHFFFAOYSA-N -1 3 369.446 3.475 20 0 FGADHM CCc1cc(C(=O)NCCc2nc(-c3ccncc3)cs2)ccc1[O-] ZINC000486069871 502037136 /nfs/dbraw/zinc/03/71/36/502037136.db2.gz OUKBXQIUCWDKGV-UHFFFAOYSA-N -1 3 353.447 3.446 20 0 FGADHM COc1ccc(NC(=O)CCCc2ccc([O-])c(F)c2)cc1NC(C)=O ZINC000468375951 502041205 /nfs/dbraw/zinc/04/12/05/502041205.db2.gz XLZMBHYHJRDVOU-UHFFFAOYSA-N -1 3 360.385 3.460 20 0 FGADHM CC(C)c1ccc(C(=O)N=c2nc(-c3ccccc3Cl)[n-]n2C)nc1 ZINC000461238306 502048387 /nfs/dbraw/zinc/04/83/87/502048387.db2.gz LCKZVVLAGVSRRM-UHFFFAOYSA-N -1 3 355.829 3.328 20 0 FGADHM CCc1nc(C)c(C(=O)N=c2nc(-c3ccccc3Cl)[n-]n2C)s1 ZINC000461236027 502048462 /nfs/dbraw/zinc/04/84/62/502048462.db2.gz GVMVRISWGWVXCU-UHFFFAOYSA-N -1 3 361.858 3.137 20 0 FGADHM COc1ccc(OC)c([N-]C(=O)c2nc(-c3ccccc3OC)no2)c1 ZINC000478715258 502066232 /nfs/dbraw/zinc/06/62/32/502066232.db2.gz YASHUALIIVVSLH-UHFFFAOYSA-N -1 3 355.350 3.015 20 0 FGADHM COc1ccc(OC)c([N-]C(=O)c2nc(-c3ccc(F)c(C)c3)no2)c1 ZINC000478724135 502068291 /nfs/dbraw/zinc/06/82/91/502068291.db2.gz YQRRMTRGOWTLOO-UHFFFAOYSA-N -1 3 357.341 3.454 20 0 FGADHM O=c1[n-]c(Cn2cccc(C(F)(F)F)c2=O)nc2c3ccccc3oc21 ZINC000478741155 502073579 /nfs/dbraw/zinc/07/35/79/502073579.db2.gz PODCPUFMNAYYCG-UHFFFAOYSA-N -1 3 361.279 3.310 20 0 FGADHM COC(=O)[C@@H](Cc1ccccc1)NCc1cc([O-])ccc1Br ZINC000475157291 502085534 /nfs/dbraw/zinc/08/55/34/502085534.db2.gz OXJJJLXELIFNRW-MRXNPFEDSA-N -1 3 364.239 3.029 20 0 FGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)COc1cccc(F)c1 ZINC000486284251 502111115 /nfs/dbraw/zinc/11/11/15/502111115.db2.gz OJHVHNDYSIUMIF-LLVKDONJSA-N -1 3 373.833 3.234 20 0 FGADHM Cc1ccc(NC(=O)c2nc[n-]n2)cc1Oc1ncccc1Br ZINC000468608467 502123361 /nfs/dbraw/zinc/12/33/61/502123361.db2.gz MRERIXZSIXCXAS-UHFFFAOYSA-N -1 3 374.198 3.315 20 0 FGADHM CCCCN(CCCC)C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C)c1 ZINC000486349400 502129330 /nfs/dbraw/zinc/12/93/30/502129330.db2.gz STJPGTCLNOTWDR-UHFFFAOYSA-N -1 3 359.467 3.168 20 0 FGADHM COc1ccc2oc([C@H](C)NC(=O)NCc3ncccc3[O-])c(C)c2c1 ZINC000471815232 502144732 /nfs/dbraw/zinc/14/47/32/502144732.db2.gz HVHNKEVGWFYHBM-LBPRGKRZSA-N -1 3 355.394 3.411 20 0 FGADHM C[N-]S(=O)(=O)c1cc(NC(=O)N(C)[C@@H](C)C2CCCCC2)ccc1F ZINC000486412757 502146827 /nfs/dbraw/zinc/14/68/27/502146827.db2.gz ZZJBIJLQKSBLLJ-LBPRGKRZSA-N -1 3 371.478 3.166 20 0 FGADHM CCc1cc(C(=O)N(C)[C@@H]2CCCN(c3ccccc3)C2=O)ccc1[O-] ZINC000486475351 502163770 /nfs/dbraw/zinc/16/37/70/502163770.db2.gz XYDBDSRXDZXCOQ-GOSISDBHSA-N -1 3 352.434 3.222 20 0 FGADHM C[N-]S(=O)(=O)c1cc(NC(=O)N2CCCC[C@@H]2CC(C)C)ccc1F ZINC000486492269 502170733 /nfs/dbraw/zinc/17/07/33/502170733.db2.gz UKVSXTVTLHYNFA-CQSZACIVSA-N -1 3 371.478 3.166 20 0 FGADHM Cc1cc([C@@H]2CCCN2C(=O)c2c[n-]c3c(C)cc(C)cc3c2=O)on1 ZINC000482826820 502190343 /nfs/dbraw/zinc/19/03/43/502190343.db2.gz MGCTYDAWWFWDIH-INIZCTEOSA-N -1 3 351.406 3.419 20 0 FGADHM O=C(NCc1ccc(-c2ccccc2)o1)NCc1nnc(C(F)(F)F)[n-]1 ZINC000482871474 502204259 /nfs/dbraw/zinc/20/42/59/502204259.db2.gz XGQZTTILXDNQFB-UHFFFAOYSA-N -1 3 365.315 3.083 20 0 FGADHM O=C(NCc1ccc(-c2ccccc2)o1)NCc1n[n-]c(C(F)(F)F)n1 ZINC000482871474 502204264 /nfs/dbraw/zinc/20/42/64/502204264.db2.gz XGQZTTILXDNQFB-UHFFFAOYSA-N -1 3 365.315 3.083 20 0 FGADHM O=C(NCc1ccc(-c2ccccc2)o1)NCc1nc(C(F)(F)F)n[n-]1 ZINC000482871474 502204268 /nfs/dbraw/zinc/20/42/68/502204268.db2.gz XGQZTTILXDNQFB-UHFFFAOYSA-N -1 3 365.315 3.083 20 0 FGADHM COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-]CC1CCCC1 ZINC000475539965 502206925 /nfs/dbraw/zinc/20/69/25/502206925.db2.gz ZKMGCMNODHPPFF-UHFFFAOYSA-N -1 3 361.891 3.224 20 0 FGADHM O=C(CCOc1ccc2ccccc2c1)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000486616573 502210166 /nfs/dbraw/zinc/21/01/66/502210166.db2.gz OKGOMJKDMVGSNW-UHFFFAOYSA-N -1 3 373.416 3.351 20 0 FGADHM O=C(CCOc1ccc2ccccc2c1)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000486616573 502210171 /nfs/dbraw/zinc/21/01/71/502210171.db2.gz OKGOMJKDMVGSNW-UHFFFAOYSA-N -1 3 373.416 3.351 20 0 FGADHM Cc1cccc(F)c1S(=O)(=O)[N-]Cc1cccc(Br)c1 ZINC000475577597 502218037 /nfs/dbraw/zinc/21/80/37/502218037.db2.gz ZPVWRLUDZCBKSN-UHFFFAOYSA-N -1 3 358.232 3.375 20 0 FGADHM Cc1cccc(F)c1S(=O)(=O)[N-]Cc1ccccc1Br ZINC000475584238 502219211 /nfs/dbraw/zinc/21/92/11/502219211.db2.gz YHBNHIWDEXESRF-UHFFFAOYSA-N -1 3 358.232 3.375 20 0 FGADHM O=S(=O)([N-][C@H]1CCCC(F)(F)C1)c1ccc(Br)c(F)c1 ZINC000486691999 502232834 /nfs/dbraw/zinc/23/28/34/502232834.db2.gz WRFXWGXOCKYTGP-QMMMGPOBSA-N -1 3 372.206 3.444 20 0 FGADHM CCOC(=O)Cc1csc(NC(=O)CCCc2ccc([O-])c(F)c2)n1 ZINC000468939339 502237697 /nfs/dbraw/zinc/23/76/97/502237697.db2.gz JCTKCJUKKLFEHD-UHFFFAOYSA-N -1 3 366.414 3.055 20 0 FGADHM CC(C)(NC(=O)c1ccc2n[n-]nc2c1)c1nc(C(F)(F)F)cs1 ZINC000465313274 502239391 /nfs/dbraw/zinc/23/93/91/502239391.db2.gz FSGQYQDLZYQCCO-UHFFFAOYSA-N -1 3 355.345 3.098 20 0 FGADHM O=C(NCc1ncccc1[O-])N[C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000472123286 502240222 /nfs/dbraw/zinc/24/02/22/502240222.db2.gz ZTDHOAVWQFVFTK-LBPRGKRZSA-N -1 3 357.307 3.419 20 0 FGADHM CCc1cc(C(=O)NC[C@@H](CO)Cc2c(F)cccc2Cl)ccc1[O-] ZINC000486736064 502246434 /nfs/dbraw/zinc/24/64/34/502246434.db2.gz LJPOGQBZMUITKK-LBPRGKRZSA-N -1 3 365.832 3.328 20 0 FGADHM Cc1ccccc1[C@@H](NC(=O)NCc1nnc(C(F)(F)F)[n-]1)C(C)C ZINC000483020757 502247932 /nfs/dbraw/zinc/24/79/32/502247932.db2.gz TUIYZSSSNSIPPN-ZDUSSCGKSA-N -1 3 355.364 3.328 20 0 FGADHM Cc1ccccc1[C@@H](NC(=O)NCc1n[n-]c(C(F)(F)F)n1)C(C)C ZINC000483020757 502247935 /nfs/dbraw/zinc/24/79/35/502247935.db2.gz TUIYZSSSNSIPPN-ZDUSSCGKSA-N -1 3 355.364 3.328 20 0 FGADHM Cc1ccccc1[C@@H](NC(=O)NCc1nc(C(F)(F)F)n[n-]1)C(C)C ZINC000483020757 502247939 /nfs/dbraw/zinc/24/79/39/502247939.db2.gz TUIYZSSSNSIPPN-ZDUSSCGKSA-N -1 3 355.364 3.328 20 0 FGADHM CC(C)C[C@@]1(CO)CCCN1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000475697402 502257456 /nfs/dbraw/zinc/25/74/56/502257456.db2.gz MORWDUMMNJYOEG-HXUWFJFHSA-N -1 3 355.438 3.455 20 0 FGADHM Cc1ccc([C@H]2CCN(C(=O)NCc3nnc(C(F)(F)F)[n-]3)C2)c(C)c1 ZINC000472176667 502258436 /nfs/dbraw/zinc/25/84/36/502258436.db2.gz VGUJVZYDBHSZSH-LBPRGKRZSA-N -1 3 367.375 3.139 20 0 FGADHM Cc1ccc([C@H]2CCN(C(=O)NCc3n[n-]c(C(F)(F)F)n3)C2)c(C)c1 ZINC000472176667 502258444 /nfs/dbraw/zinc/25/84/44/502258444.db2.gz VGUJVZYDBHSZSH-LBPRGKRZSA-N -1 3 367.375 3.139 20 0 FGADHM Cc1ccc([C@H]2CCN(C(=O)NCc3nc(C(F)(F)F)n[n-]3)C2)c(C)c1 ZINC000472176667 502258449 /nfs/dbraw/zinc/25/84/49/502258449.db2.gz VGUJVZYDBHSZSH-LBPRGKRZSA-N -1 3 367.375 3.139 20 0 FGADHM CCn1c(CNC(=O)c2cccc([O-])c2)nc2cc(Br)ccc21 ZINC000483057221 502258507 /nfs/dbraw/zinc/25/85/07/502258507.db2.gz NAQBTGXQXAFFKL-UHFFFAOYSA-N -1 3 374.238 3.454 20 0 FGADHM Cc1ccc(-c2nnc(NC(=O)[C@@H]3COc4ccc(Cl)cc4C3)[n-]2)o1 ZINC000479441335 502260800 /nfs/dbraw/zinc/26/08/00/502260800.db2.gz BCHCKAFPXYGING-NSHDSACASA-N -1 3 358.785 3.216 20 0 FGADHM Cc1ccc(-c2n[n-]c(NC(=O)[C@@H]3COc4ccc(Cl)cc4C3)n2)o1 ZINC000479441335 502260805 /nfs/dbraw/zinc/26/08/05/502260805.db2.gz BCHCKAFPXYGING-NSHDSACASA-N -1 3 358.785 3.216 20 0 FGADHM Cc1ccc(-c2nc(NC(=O)[C@@H]3COc4ccc(Cl)cc4C3)n[n-]2)o1 ZINC000479441335 502260807 /nfs/dbraw/zinc/26/08/07/502260807.db2.gz BCHCKAFPXYGING-NSHDSACASA-N -1 3 358.785 3.216 20 0 FGADHM COC(=O)C[C@@H](NC(=O)c1csc(=O)[n-]1)c1ccc(C(C)(C)C)cc1 ZINC000472191034 502263655 /nfs/dbraw/zinc/26/36/55/502263655.db2.gz RCKAJMCHOPZXOB-CYBMUJFWSA-N -1 3 362.451 3.180 20 0 FGADHM Cc1ccc(F)c(S(=O)(=O)[N-]CCc2ccccc2OC(F)F)c1 ZINC000472189540 502263687 /nfs/dbraw/zinc/26/36/87/502263687.db2.gz JZWRJGCBKAFTRQ-UHFFFAOYSA-N -1 3 359.369 3.257 20 0 FGADHM CC[C@H](NC(=O)NCc1nnc(C(F)(F)F)[n-]1)c1cc(F)ccc1F ZINC000483097517 502270188 /nfs/dbraw/zinc/27/01/88/502270188.db2.gz HLUMWGCLEVBIJA-JTQLQIEISA-N -1 3 363.290 3.052 20 0 FGADHM CC[C@H](NC(=O)NCc1n[n-]c(C(F)(F)F)n1)c1cc(F)ccc1F ZINC000483097517 502270194 /nfs/dbraw/zinc/27/01/94/502270194.db2.gz HLUMWGCLEVBIJA-JTQLQIEISA-N -1 3 363.290 3.052 20 0 FGADHM CC[C@H](NC(=O)NCc1nc(C(F)(F)F)n[n-]1)c1cc(F)ccc1F ZINC000483097517 502270198 /nfs/dbraw/zinc/27/01/98/502270198.db2.gz HLUMWGCLEVBIJA-JTQLQIEISA-N -1 3 363.290 3.052 20 0 FGADHM Cc1cc(F)c(S(=O)(=O)[N-]CCc2c[nH]c3ccccc23)cc1F ZINC000475738325 502273979 /nfs/dbraw/zinc/27/39/79/502273979.db2.gz JGWNKPFDPICTJY-UHFFFAOYSA-N -1 3 350.390 3.276 20 0 FGADHM Cc1ccc(OC(F)F)c(C[N-]S(=O)(=O)c2ccc(F)cc2F)c1 ZINC000465490952 502277584 /nfs/dbraw/zinc/27/75/84/502277584.db2.gz IISLGOUXCBISKU-UHFFFAOYSA-N -1 3 363.332 3.353 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)c1c(F)cncc1F ZINC000462070330 502293590 /nfs/dbraw/zinc/29/35/90/502293590.db2.gz KGXBKKPMDQVGSK-ZCFIWIBFSA-N -1 3 372.340 3.480 20 0 FGADHM CC(C)(C)c1nc(=NC(=O)c2ccc(-c3nnc(C4CC4)[nH]3)cc2)s[n-]1 ZINC000483186393 502306659 /nfs/dbraw/zinc/30/66/59/502306659.db2.gz PZPGOCCLNRADHB-UHFFFAOYSA-N -1 3 368.466 3.172 20 0 FGADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@H]1CCOC2(CCSCC2)C1 ZINC000469128529 502309068 /nfs/dbraw/zinc/30/90/68/502309068.db2.gz WYYPQBGAMDSJHL-HNNXBMFYSA-N -1 3 367.486 3.415 20 0 FGADHM Cc1nc2cc(C(=O)N=c3cc(-c4cc(F)cc(F)c4)[n-][nH]3)ccc2o1 ZINC000472315259 502310896 /nfs/dbraw/zinc/31/08/96/502310896.db2.gz GOTPFXQURSXPQL-UHFFFAOYSA-N -1 3 354.316 3.479 20 0 FGADHM CCOC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)[C@@H](C)CC ZINC000462111530 502311047 /nfs/dbraw/zinc/31/10/47/502311047.db2.gz NBZDEBTWMVSOSG-KWQFWETISA-N -1 3 373.418 3.023 20 0 FGADHM COc1ccc(S(=O)(=O)[N-][C@H](C)C[C@@H]2CCCO2)c(Cl)c1Cl ZINC000462151977 502325697 /nfs/dbraw/zinc/32/56/97/502325697.db2.gz QYSBQDHZQDNKGZ-ZJUUUORDSA-N -1 3 368.282 3.238 20 0 FGADHM Cc1cccc(OC[C@H](C)[N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)c1 ZINC000462176174 502335315 /nfs/dbraw/zinc/33/53/15/502335315.db2.gz BCFQKLMVVFWOME-NSHDSACASA-N -1 3 359.369 3.158 20 0 FGADHM CCc1cc(C(=O)N2CCC(CCC(=O)N(CC)CC)CC2)ccc1[O-] ZINC000487043606 502339833 /nfs/dbraw/zinc/33/98/33/502339833.db2.gz NTCHNQIUKHSZDS-UHFFFAOYSA-N -1 3 360.498 3.455 20 0 FGADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)Nc1ccc(Cl)cc1Cl ZINC000479719946 502355592 /nfs/dbraw/zinc/35/55/92/502355592.db2.gz OAFPCMBXCADUHI-UHFFFAOYSA-N -1 3 354.119 3.452 20 0 FGADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)Nc1ccc(Cl)cc1Cl ZINC000479719946 502355600 /nfs/dbraw/zinc/35/56/00/502355600.db2.gz OAFPCMBXCADUHI-UHFFFAOYSA-N -1 3 354.119 3.452 20 0 FGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)Nc1ccc(Cl)cc1Cl ZINC000479719946 502355605 /nfs/dbraw/zinc/35/56/05/502355605.db2.gz OAFPCMBXCADUHI-UHFFFAOYSA-N -1 3 354.119 3.452 20 0 FGADHM C[C@H]1CCN(C(=O)c2cccc(CNc3ccncn3)c2)c2c([O-])cccc21 ZINC000469284760 502361535 /nfs/dbraw/zinc/36/15/35/502361535.db2.gz YLIDSPHNFNOSGH-HNNXBMFYSA-N -1 3 374.444 3.370 20 0 FGADHM C[C@H](Oc1ccc(F)cc1)C(=O)Nc1nnc(-c2c(F)cccc2F)[n-]1 ZINC000479747852 502364175 /nfs/dbraw/zinc/36/41/75/502364175.db2.gz DBEQNHKFNSVIMS-VIFPVBQESA-N -1 3 362.311 3.295 20 0 FGADHM C[C@H](Oc1ccc(F)cc1)C(=O)Nc1nc(-c2c(F)cccc2F)n[n-]1 ZINC000479747852 502364178 /nfs/dbraw/zinc/36/41/78/502364178.db2.gz DBEQNHKFNSVIMS-VIFPVBQESA-N -1 3 362.311 3.295 20 0 FGADHM C[C@H](Oc1ccc(F)cc1)C(=O)Nc1n[n-]c(-c2c(F)cccc2F)n1 ZINC000479747852 502364184 /nfs/dbraw/zinc/36/41/84/502364184.db2.gz DBEQNHKFNSVIMS-VIFPVBQESA-N -1 3 362.311 3.295 20 0 FGADHM CC[C@H]1CN(C(=O)CCc2ccc3ccccc3c2[O-])C[C@@]2(CCOC2)O1 ZINC000582587542 506310162 /nfs/dbraw/zinc/31/01/62/506310162.db2.gz JMXPUUKBIIONRT-PGRDOPGGSA-N -1 3 369.461 3.275 20 0 FGADHM CC[C@](C)([N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)c1nc(C)cs1 ZINC000462313924 502389180 /nfs/dbraw/zinc/38/91/80/502389180.db2.gz MEAIGNDPYBVMOZ-AWEZNQCLSA-N -1 3 364.414 3.473 20 0 FGADHM CCOC(=O)[C@]1(Cc2ccccc2)CCCN1Cc1nc(C)ccc1[O-] ZINC000483441441 502393455 /nfs/dbraw/zinc/39/34/55/502393455.db2.gz RZDXZSYPGGGIDE-OAQYLSRUSA-N -1 3 354.450 3.236 20 0 FGADHM O=C(CCCOc1ccc2c(c1)CCC2)N=c1cc(-c2ccncc2)[n-][nH]1 ZINC000487319867 502416777 /nfs/dbraw/zinc/41/67/77/502416777.db2.gz NBQQRFZGCAVUJE-UHFFFAOYSA-N -1 3 362.433 3.180 20 0 FGADHM CCOc1nc2ccc(C(=O)Nc3ccc(C(=O)NC4CC4)cc3)cc2[n-]1 ZINC000469444608 502420778 /nfs/dbraw/zinc/42/07/78/502420778.db2.gz ODLJEOJXFKXKKG-UHFFFAOYSA-N -1 3 364.405 3.106 20 0 FGADHM CCOc1nc2cc(C(=O)Nc3ccc(C(=O)NC4CC4)cc3)ccc2[n-]1 ZINC000469444608 502420779 /nfs/dbraw/zinc/42/07/79/502420779.db2.gz ODLJEOJXFKXKKG-UHFFFAOYSA-N -1 3 364.405 3.106 20 0 FGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](CO)c2ccsc2)c1Cl ZINC000472710557 502424109 /nfs/dbraw/zinc/42/41/09/502424109.db2.gz VHVZRVMMKDMJLG-NSHDSACASA-N -1 3 366.291 3.375 20 0 FGADHM CCN(Cc1ccc(Cl)s1)C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000483543524 502426471 /nfs/dbraw/zinc/42/64/71/502426471.db2.gz NXGPYEBMWTXCDS-UHFFFAOYSA-N -1 3 367.784 3.270 20 0 FGADHM CCN(Cc1ccc(Cl)s1)C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000483543524 502426476 /nfs/dbraw/zinc/42/64/76/502426476.db2.gz NXGPYEBMWTXCDS-UHFFFAOYSA-N -1 3 367.784 3.270 20 0 FGADHM CCN(Cc1ccc(Cl)s1)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000483543524 502426479 /nfs/dbraw/zinc/42/64/79/502426479.db2.gz NXGPYEBMWTXCDS-UHFFFAOYSA-N -1 3 367.784 3.270 20 0 FGADHM Cc1nc2ccc(NC(=O)NCc3nnc(C(F)(F)F)[n-]3)cc2s1 ZINC000479958537 502430237 /nfs/dbraw/zinc/43/02/37/502430237.db2.gz NLRXNNLUAHLTGS-UHFFFAOYSA-N -1 3 356.333 3.063 20 0 FGADHM Cc1nc2ccc(NC(=O)NCc3n[n-]c(C(F)(F)F)n3)cc2s1 ZINC000479958537 502430243 /nfs/dbraw/zinc/43/02/43/502430243.db2.gz NLRXNNLUAHLTGS-UHFFFAOYSA-N -1 3 356.333 3.063 20 0 FGADHM Cc1nc2ccc(NC(=O)NCc3nc(C(F)(F)F)n[n-]3)cc2s1 ZINC000479958537 502430247 /nfs/dbraw/zinc/43/02/47/502430247.db2.gz NLRXNNLUAHLTGS-UHFFFAOYSA-N -1 3 356.333 3.063 20 0 FGADHM Cc1cc(C)n2ncc(-c3noc(CCCc4ccc([O-])c(F)c4)n3)c2n1 ZINC000469479356 502432320 /nfs/dbraw/zinc/43/23/20/502432320.db2.gz FTDPXWOZQJRBPY-UHFFFAOYSA-N -1 3 367.384 3.416 20 0 FGADHM Cc1ccc([C@H]2OCCC[C@@H]2NC(=O)c2c[n-]c3ccccc3c2=O)cc1 ZINC000480007457 502443737 /nfs/dbraw/zinc/44/37/37/502443737.db2.gz AXVZERSDQAPVDJ-PZJWPPBQSA-N -1 3 362.429 3.487 20 0 FGADHM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)CCN1C ZINC000462499353 502465866 /nfs/dbraw/zinc/46/58/66/502465866.db2.gz HSYVESLZPZACBL-UWVGGRQHSA-N -1 3 370.824 3.120 20 0 FGADHM Cc1nc(-c2ccc(NC(=O)NCC(C)(C)C[C@@H](C)O)cc2)cc(=O)[n-]1 ZINC000466057591 502468740 /nfs/dbraw/zinc/46/87/40/502468740.db2.gz YJXIUKKMIIAEKH-GFCCVEGCSA-N -1 3 358.442 3.076 20 0 FGADHM O=S(=O)([N-]CC1(c2ccc(F)cc2)CC1)c1cc(F)c(F)c(F)c1 ZINC000462526773 502475823 /nfs/dbraw/zinc/47/58/23/502475823.db2.gz PELZJFSNOHLKHC-UHFFFAOYSA-N -1 3 359.344 3.253 20 0 FGADHM CCc1cc(C(=O)N(Cc2ccccc2)C[C@]2(O)CCO[C@@H]2C)ccc1[O-] ZINC000487550862 502476876 /nfs/dbraw/zinc/47/68/76/502476876.db2.gz KXBJZNHIGFZDSV-OPAMFIHVSA-N -1 3 369.461 3.137 20 0 FGADHM O=C([N-]c1cc(F)ccc1SCC(F)F)c1cnn2ncccc12 ZINC000472942768 502478611 /nfs/dbraw/zinc/47/86/11/502478611.db2.gz YJPFMEACDVIRGE-UHFFFAOYSA-N -1 3 352.341 3.478 20 0 FGADHM COc1ccc2c(c1)CCN(C(=O)CCCc1ccc([O-])c(F)c1)CC2 ZINC000469667539 502497572 /nfs/dbraw/zinc/49/75/72/502497572.db2.gz QSKIITFMABNDPL-UHFFFAOYSA-N -1 3 357.425 3.490 20 0 FGADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C(C)=O)ccc2Cl)cc1 ZINC000476493404 502504192 /nfs/dbraw/zinc/50/41/92/502504192.db2.gz WBCNGKIRTZGHEV-UHFFFAOYSA-N -1 3 367.810 3.130 20 0 FGADHM CCOc1nc2cc(C(=O)NC[C@H](C[C@@H](C)O)c3ccccc3)ccc2[n-]1 ZINC000469744658 502528929 /nfs/dbraw/zinc/52/89/29/502528929.db2.gz LUWMLRHXWAQYEU-PBHICJAKSA-N -1 3 367.449 3.246 20 0 FGADHM CCOc1nc2ccc(C(=O)NC[C@H](C[C@@H](C)O)c3ccccc3)cc2[n-]1 ZINC000469744658 502528936 /nfs/dbraw/zinc/52/89/36/502528936.db2.gz LUWMLRHXWAQYEU-PBHICJAKSA-N -1 3 367.449 3.246 20 0 FGADHM CO[C@@H](C[N-]S(=O)(=O)c1ccc(F)cc1F)c1cccc(Cl)c1 ZINC000462670784 502530142 /nfs/dbraw/zinc/53/01/42/502530142.db2.gz VPEFSTWYQVNKEJ-AWEZNQCLSA-N -1 3 361.797 3.284 20 0 FGADHM COc1ccccc1-c1noc([C@H](C)[N-]S(=O)(=O)c2cccc(C)c2)n1 ZINC000462674383 502530642 /nfs/dbraw/zinc/53/06/42/502530642.db2.gz HGYMZBNVEODDHU-ZDUSSCGKSA-N -1 3 373.434 3.093 20 0 FGADHM C[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1Br)C(F)(F)F ZINC000476571738 502530934 /nfs/dbraw/zinc/53/09/34/502530934.db2.gz QBXFDUSQHVGVPY-ZCFIWIBFSA-N -1 3 364.158 3.065 20 0 FGADHM C[C@H]1CN(Cc2ccccc2)C[C@H]1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000462680272 502532020 /nfs/dbraw/zinc/53/20/20/502532020.db2.gz PUYLDJLMSZNCNJ-GXTWGEPZSA-N -1 3 370.927 3.200 20 0 FGADHM CC(C)c1noc(-c2ccnc(NCc3nnc(C(F)(F)F)[n-]3)c2)n1 ZINC000480313278 502535173 /nfs/dbraw/zinc/53/51/73/502535173.db2.gz HHMBDNCROQWCOW-UHFFFAOYSA-N -1 3 353.308 3.004 20 0 FGADHM CC(C)c1noc(-c2ccnc(NCc3n[n-]c(C(F)(F)F)n3)c2)n1 ZINC000480313278 502535178 /nfs/dbraw/zinc/53/51/78/502535178.db2.gz HHMBDNCROQWCOW-UHFFFAOYSA-N -1 3 353.308 3.004 20 0 FGADHM CC(C)c1noc(-c2ccnc(NCc3nc(C(F)(F)F)n[n-]3)c2)n1 ZINC000480313278 502535183 /nfs/dbraw/zinc/53/51/83/502535183.db2.gz HHMBDNCROQWCOW-UHFFFAOYSA-N -1 3 353.308 3.004 20 0 FGADHM C[C@H](C[N-]S(=O)(=O)c1cccc(Cl)c1F)Oc1ccc(F)cc1 ZINC000462705803 502541371 /nfs/dbraw/zinc/54/13/71/502541371.db2.gz QIGWYOFDLUTXNA-SNVBAGLBSA-N -1 3 361.797 3.364 20 0 FGADHM CO[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000462706478 502541781 /nfs/dbraw/zinc/54/17/81/502541781.db2.gz OGLAENKPNXHAAP-ZIAGYGMSSA-N -1 3 352.481 3.046 20 0 FGADHM COc1cccc(O[C@H](C)C[N-]S(=O)(=O)c2ccc(Cl)cc2F)c1 ZINC000462718527 502548497 /nfs/dbraw/zinc/54/84/97/502548497.db2.gz BYNLTDXGJFHMTE-LLVKDONJSA-N -1 3 373.833 3.234 20 0 FGADHM CO[C@H]1CN(C(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)CC[C@@H]1C ZINC000466365880 502548873 /nfs/dbraw/zinc/54/88/73/502548873.db2.gz YKHYXFZDRURWKA-SJCJKPOMSA-N -1 3 356.426 3.046 20 0 FGADHM CCC[C@](C)([N-]S(=O)(=O)Cc1cc(Cl)cc(Cl)c1)C(=O)OC ZINC000469799516 502549175 /nfs/dbraw/zinc/54/91/75/502549175.db2.gz IRVHUDZLGZCMQC-AWEZNQCLSA-N -1 3 368.282 3.145 20 0 FGADHM CCc1ccc([O-])c(C(=O)NCCCCn2cc(Br)cn2)c1 ZINC000473287998 502560511 /nfs/dbraw/zinc/56/05/11/502560511.db2.gz OCRLCPCTORVSLR-UHFFFAOYSA-N -1 3 366.259 3.124 20 0 FGADHM C[C@@H](NC(=O)c1c[n-]c2ccc(Br)cc2c1=O)c1cccnc1 ZINC000484064760 502560475 /nfs/dbraw/zinc/56/04/75/502560475.db2.gz CDZVBGJYUKFKLX-SNVBAGLBSA-N -1 3 372.222 3.177 20 0 FGADHM COCCc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CC(C)(C)O2 ZINC000466408830 502562327 /nfs/dbraw/zinc/56/23/27/502562327.db2.gz JKWXENZLNPROFE-UHFFFAOYSA-N -1 3 361.463 3.390 20 0 FGADHM COC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@@H]2CCCc3sccc32)c1 ZINC000466511529 502592800 /nfs/dbraw/zinc/59/28/00/502592800.db2.gz BWYLZWJMFIGXRF-CQSZACIVSA-N -1 3 369.439 3.030 20 0 FGADHM CN(Cc1ccc(F)c(F)c1)C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000484238592 502605324 /nfs/dbraw/zinc/60/53/24/502605324.db2.gz AFKLLTIQWAHAAX-UHFFFAOYSA-N -1 3 364.298 3.357 20 0 FGADHM C[C@@]1(C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)CCO[C@@H]1C1CC1 ZINC000466559149 502607531 /nfs/dbraw/zinc/60/75/31/502607531.db2.gz MIHBPKZLCFWXAH-CABCVRRESA-N -1 3 364.294 3.477 20 0 FGADHM O=C(c1c[nH]cc1-c1ccc(Cl)s1)N1CCc2nc[n-]c(=O)c2C1 ZINC000476970950 502636911 /nfs/dbraw/zinc/63/69/11/502636911.db2.gz NICJPORODPNBQU-UHFFFAOYSA-N -1 3 360.826 3.091 20 0 FGADHM CC(C)=CCC[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000480693831 502644674 /nfs/dbraw/zinc/64/46/74/502644674.db2.gz KEYNQHBSWZJHAL-CQSZACIVSA-N -1 3 373.902 3.390 20 0 FGADHM COc1ccc(S(=O)(=O)[N-][C@H]2CCCOc3cc(F)ccc32)c(F)c1 ZINC000480699249 502646370 /nfs/dbraw/zinc/64/63/70/502646370.db2.gz OOWQGZBSSUQOIL-HNNXBMFYSA-N -1 3 369.389 3.166 20 0 FGADHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)N1CCC[C@H]1C1CCCCC1 ZINC000488216183 502659789 /nfs/dbraw/zinc/65/97/89/502659789.db2.gz JAVJFAPWUDKCHY-SFHVURJKSA-N -1 3 369.465 3.064 20 0 FGADHM Cc1cccc(S(=O)(=O)[N-]C[C@](C)(Cc2ccccc2)[C@H](C)O)c1F ZINC000480751938 502661777 /nfs/dbraw/zinc/66/17/77/502661777.db2.gz RYODATAKIPXJJU-KXBFYZLASA-N -1 3 365.470 3.042 20 0 FGADHM CC(C)(C)n1ncc(C(=O)NCc2ncccc2[O-])c1-c1ccccc1 ZINC000473639686 502663286 /nfs/dbraw/zinc/66/32/86/502663286.db2.gz PZFXXYXYFTWACQ-UHFFFAOYSA-N -1 3 350.422 3.336 20 0 FGADHM C[C@@H](C(=O)NCc1ncccc1[O-])c1cccc(C(=O)c2ccccc2)c1 ZINC000473639347 502663896 /nfs/dbraw/zinc/66/38/96/502663896.db2.gz HSICGEKEYKQIQL-OAHLLOKOSA-N -1 3 360.413 3.438 20 0 FGADHM Cc1nc(C)c(CC(=O)N[C@@H]2c3ccccc3CC[C@H]2C(C)C)c(=O)[n-]1 ZINC000463047333 502674583 /nfs/dbraw/zinc/67/45/83/502674583.db2.gz GLQXZQUDOGYXPP-JXFKEZNVSA-N -1 3 353.466 3.417 20 0 FGADHM Cc1nc2c(cccc2C(=O)Nc2nnc(-c3c(F)cccc3F)[n-]2)o1 ZINC000473690331 502678881 /nfs/dbraw/zinc/67/88/81/502678881.db2.gz CIHNNPAIDPOEPB-UHFFFAOYSA-N -1 3 355.304 3.452 20 0 FGADHM Cc1nc2c(cccc2C(=O)Nc2nc(-c3c(F)cccc3F)n[n-]2)o1 ZINC000473690331 502678887 /nfs/dbraw/zinc/67/88/87/502678887.db2.gz CIHNNPAIDPOEPB-UHFFFAOYSA-N -1 3 355.304 3.452 20 0 FGADHM Cc1nc2c(cccc2C(=O)Nc2n[n-]c(-c3c(F)cccc3F)n2)o1 ZINC000473690331 502678891 /nfs/dbraw/zinc/67/88/91/502678891.db2.gz CIHNNPAIDPOEPB-UHFFFAOYSA-N -1 3 355.304 3.452 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2cc(-c3n[nH]c(C)n3)ccc2C)c(C)c1 ZINC000484601048 502680542 /nfs/dbraw/zinc/68/05/42/502680542.db2.gz DNEINBDPBITRHQ-UHFFFAOYSA-N -1 3 372.450 3.206 20 0 FGADHM O=C(CCc1cccc(C(F)(F)F)c1)Nc1nnc(-c2ccccn2)[n-]1 ZINC000466816590 502693353 /nfs/dbraw/zinc/69/33/53/502693353.db2.gz OXWTVOVIDZAPEI-UHFFFAOYSA-N -1 3 361.327 3.457 20 0 FGADHM O=C(CCc1cccc(C(F)(F)F)c1)Nc1nc(-c2ccccn2)n[n-]1 ZINC000466816590 502693358 /nfs/dbraw/zinc/69/33/58/502693358.db2.gz OXWTVOVIDZAPEI-UHFFFAOYSA-N -1 3 361.327 3.457 20 0 FGADHM O=C(CCc1cccc(C(F)(F)F)c1)Nc1n[n-]c(-c2ccccn2)n1 ZINC000466816590 502693362 /nfs/dbraw/zinc/69/33/62/502693362.db2.gz OXWTVOVIDZAPEI-UHFFFAOYSA-N -1 3 361.327 3.457 20 0 FGADHM CCC[C@@H](NC(=O)c1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1)C1CCCCC1 ZINC000480874038 502695616 /nfs/dbraw/zinc/69/56/16/502695616.db2.gz CURJUOJNFMEKEK-DYESRHJHSA-N -1 3 371.481 3.220 20 0 FGADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000484655972 502698515 /nfs/dbraw/zinc/69/85/15/502698515.db2.gz RTCKLUYHBRDCLS-QGZVFWFLSA-N -1 3 367.380 3.468 20 0 FGADHM O=C([N-]c1nnc(-c2ccccc2)s1)c1cn(Cc2cccs2)nn1 ZINC000463173436 502711771 /nfs/dbraw/zinc/71/17/71/502711771.db2.gz WCJIGZBSVWSJJU-UHFFFAOYSA-N -1 3 368.447 3.159 20 0 FGADHM O=C(Nc1nnc(-c2ccccn2)[n-]1)c1ccc(F)c(Br)c1 ZINC000463179378 502713141 /nfs/dbraw/zinc/71/31/41/502713141.db2.gz BZEAUVOYNHYKRT-UHFFFAOYSA-N -1 3 362.162 3.021 20 0 FGADHM O=C(Nc1nc(-c2ccccn2)n[n-]1)c1ccc(F)c(Br)c1 ZINC000463179378 502713143 /nfs/dbraw/zinc/71/31/43/502713143.db2.gz BZEAUVOYNHYKRT-UHFFFAOYSA-N -1 3 362.162 3.021 20 0 FGADHM O=C(Nc1n[n-]c(-c2ccccn2)n1)c1ccc(F)c(Br)c1 ZINC000463179378 502713146 /nfs/dbraw/zinc/71/31/46/502713146.db2.gz BZEAUVOYNHYKRT-UHFFFAOYSA-N -1 3 362.162 3.021 20 0 FGADHM CCS[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC000480991843 502721736 /nfs/dbraw/zinc/72/17/36/502721736.db2.gz NMXYHVJFJPIUJB-NWDGAFQWSA-N -1 3 368.446 3.443 20 0 FGADHM CCc1cc(C(=O)Nc2cc(F)c(F)cc2N2CCOCC2)ccc1[O-] ZINC000488462896 502722126 /nfs/dbraw/zinc/72/21/26/502722126.db2.gz RQAISHDZWULXKG-UHFFFAOYSA-N -1 3 362.376 3.322 20 0 FGADHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)[C@H]1C[C@H]1c1ccccc1OC(F)F ZINC000473859442 502729008 /nfs/dbraw/zinc/72/90/08/502729008.db2.gz UOWCYYNKFMNEGA-HUBLWGQQSA-N -1 3 363.364 3.027 20 0 FGADHM COC(=O)c1cccc(NC(=O)Cc2ccc(Br)cc2[O-])c1 ZINC000477286234 502729140 /nfs/dbraw/zinc/72/91/40/502729140.db2.gz IIIHEKBPDNKGKQ-UHFFFAOYSA-N -1 3 364.195 3.123 20 0 FGADHM Cc1cc(S(=O)(=O)[N-][C@H](CO)c2c(F)cccc2F)sc1Cl ZINC000473862762 502730155 /nfs/dbraw/zinc/73/01/55/502730155.db2.gz MKLPPKHLONSSJW-SNVBAGLBSA-N -1 3 367.826 3.000 20 0 FGADHM CO[C@@H](CCNC(=O)c1c[n-]nc1-c1ccc(Cl)s1)C(F)(F)F ZINC000470316764 502734680 /nfs/dbraw/zinc/73/46/80/502734680.db2.gz ABNKNWTYRNFFLV-VIFPVBQESA-N -1 3 367.780 3.489 20 0 FGADHM CC[C@@H](C[N-]S(=O)(=O)c1cncc(F)c1)Oc1ccccc1Cl ZINC000484768653 502735996 /nfs/dbraw/zinc/73/59/96/502735996.db2.gz IFJRQCNYKQGONR-LBPRGKRZSA-N -1 3 358.822 3.010 20 0 FGADHM C[C@@H](CCC1CC1)NC(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000470331609 502738521 /nfs/dbraw/zinc/73/85/21/502738521.db2.gz YEYWOPGURYZXKK-AWEZNQCLSA-N -1 3 359.470 3.331 20 0 FGADHM C[C@@H](CNC(=O)Cc1ccc(Br)cc1[O-])Oc1ccccc1 ZINC000477347003 502749342 /nfs/dbraw/zinc/74/93/42/502749342.db2.gz DCLQRTXMCOLZAE-LBPRGKRZSA-N -1 3 364.239 3.281 20 0 FGADHM CCOc1ccc(NC(=O)[C@H](C)SCc2nc(CC)cc(=O)[n-]2)cc1 ZINC000477352245 502750765 /nfs/dbraw/zinc/75/07/65/502750765.db2.gz MEMHFCMPQPCVFI-LBPRGKRZSA-N -1 3 361.467 3.404 20 0 FGADHM CC(C)CCO[C@@H]1CCN(C(=O)Cc2ccc(Br)cc2[O-])C1 ZINC000477374526 502757289 /nfs/dbraw/zinc/75/72/89/502757289.db2.gz BQZIBWUQRAZYTI-OAHLLOKOSA-N -1 3 370.287 3.361 20 0 FGADHM Cc1ccccc1[C@@H]([C@@H](C)[N-]S(=O)(=O)c1cncc(Cl)c1)N(C)C ZINC000473944982 502757835 /nfs/dbraw/zinc/75/78/35/502757835.db2.gz ZQDRXVNWWOMISU-CXAGYDPISA-N -1 3 367.902 3.013 20 0 FGADHM CCS[C@H](C(=O)N=c1nc(-c2ccccc2Cl)[n-]n1C)C(C)C ZINC000484883816 502765756 /nfs/dbraw/zinc/76/57/56/502765756.db2.gz FTVAQEKZHMCJAO-ZDUSSCGKSA-N -1 3 352.891 3.274 20 0 FGADHM Cc1nn(C)c2ncc(C=C(Cc3ccccc3)c3nccc(=O)[n-]3)cc12 ZINC000477408875 502767313 /nfs/dbraw/zinc/76/73/13/502767313.db2.gz XIBJJZPKVYXHLW-GZTJUZNOSA-N -1 3 357.417 3.143 20 0 FGADHM COc1ccccc1N=c1[n-]nc(SCCCN2CCCC2)s1 ZINC000470460276 502783985 /nfs/dbraw/zinc/78/39/85/502783985.db2.gz PURPNRURRUUXDS-UHFFFAOYSA-N -1 3 350.513 3.290 20 0 FGADHM COc1ccc(Br)c(S(=O)(=O)[N-]C2CCCCCC2)c1 ZINC000474039256 502787089 /nfs/dbraw/zinc/78/70/89/502787089.db2.gz WHFRRRNMONGESG-UHFFFAOYSA-N -1 3 362.289 3.459 20 0 FGADHM O=S(=O)([N-][C@H]1C=CCCC1)c1cc(Br)ccc1Cl ZINC000467124950 502794825 /nfs/dbraw/zinc/79/48/25/502794825.db2.gz KGYYKSZUUOWQOF-JTQLQIEISA-N -1 3 350.665 3.490 20 0 FGADHM CCn1cnc(S(=O)(=O)[N-][C@@H](c2ccccc2)c2ccc(C)cc2)c1 ZINC000474065456 502795960 /nfs/dbraw/zinc/79/59/60/502795960.db2.gz ZKVBCWFIGXNVCG-IBGZPJMESA-N -1 3 355.463 3.279 20 0 FGADHM COc1ccc(CC[N-]S(=O)(=O)c2cc(F)ccc2Cl)c(OC)c1 ZINC000488799724 502811823 /nfs/dbraw/zinc/81/18/23/502811823.db2.gz XCPCTKBIDQFZFZ-UHFFFAOYSA-N -1 3 373.833 3.017 20 0 FGADHM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)c2ccc3ncccc3c2)o1 ZINC000474119984 502812751 /nfs/dbraw/zinc/81/27/51/502812751.db2.gz XLPCETAYSYAYEN-QGZVFWFLSA-N -1 3 360.435 3.056 20 0 FGADHM Cc1nn(C)c2nc(C(=O)Nc3nnc(-c4cc5ccccc5o4)[n-]3)ccc12 ZINC000485109210 502816250 /nfs/dbraw/zinc/81/62/50/502816250.db2.gz WZUCLBRPDNWWTG-UHFFFAOYSA-N -1 3 373.376 3.060 20 0 FGADHM Cc1nn(C)c2nc(C(=O)Nc3nc(-c4cc5ccccc5o4)n[n-]3)ccc12 ZINC000485109210 502816252 /nfs/dbraw/zinc/81/62/52/502816252.db2.gz WZUCLBRPDNWWTG-UHFFFAOYSA-N -1 3 373.376 3.060 20 0 FGADHM Cc1nn(C)c2nc(C(=O)Nc3n[n-]c(-c4cc5ccccc5o4)n3)ccc12 ZINC000485109210 502816254 /nfs/dbraw/zinc/81/62/54/502816254.db2.gz WZUCLBRPDNWWTG-UHFFFAOYSA-N -1 3 373.376 3.060 20 0 FGADHM CSc1cccc(S(=O)(=O)[N-]c2cc(NC(C)=O)ccc2F)c1 ZINC000509103122 502821703 /nfs/dbraw/zinc/82/17/03/502821703.db2.gz MNMZKLAGUMNDNC-UHFFFAOYSA-N -1 3 354.428 3.307 20 0 FGADHM CCN1CCN(Cc2ccc(NCc3c(F)ccc([O-])c3F)cc2)CC1 ZINC000509174832 502839965 /nfs/dbraw/zinc/83/99/65/502839965.db2.gz ZDTWBLKMRIEXDN-UHFFFAOYSA-N -1 3 361.436 3.420 20 0 FGADHM COC(=O)c1cc(C(=O)Nc2ccc(Br)c(C)c2F)c[n-]1 ZINC000509177662 502840795 /nfs/dbraw/zinc/84/07/95/502840795.db2.gz HJKCDTIYBICDDR-UHFFFAOYSA-N -1 3 355.163 3.264 20 0 FGADHM Cc1cc(C)c2c(=O)[n-]c(SCC(=O)NC3CCC(C)CC3)nc2n1 ZINC000495466928 502844030 /nfs/dbraw/zinc/84/40/30/502844030.db2.gz 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/nfs/dbraw/zinc/48/75/86/503487586.db2.gz KGWYJBTVPBTRIW-MRXNPFEDSA-N -1 3 367.405 3.454 20 0 FGADHM CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1nc2c(cccc2C(=O)OC)[n-]1 ZINC000494103183 503487590 /nfs/dbraw/zinc/48/75/90/503487590.db2.gz KGWYJBTVPBTRIW-MRXNPFEDSA-N -1 3 367.405 3.454 20 0 FGADHM O=S(=O)([N-]Cc1cccc(Oc2ccccc2)c1)c1cncc(F)c1 ZINC000588905018 506375631 /nfs/dbraw/zinc/37/56/31/506375631.db2.gz VTJRFYDGUUHKES-UHFFFAOYSA-N -1 3 358.394 3.492 20 0 FGADHM O=S(=O)([N-]CCCCOc1ccc(Cl)cc1)c1cncc(F)c1 ZINC000588904753 506375813 /nfs/dbraw/zinc/37/58/13/506375813.db2.gz GKBCOEZXOBFMGI-UHFFFAOYSA-N -1 3 358.822 3.012 20 0 FGADHM COc1ccc(C(C)=O)cc1CC(=O)N=c1cc(-c2ccccc2C)[n-][nH]1 ZINC000512314053 503516554 /nfs/dbraw/zinc/51/65/54/503516554.db2.gz FWACJISIAKUPJT-UHFFFAOYSA-N -1 3 363.417 3.199 20 0 FGADHM CSc1ccc(CCCC(=O)Nc2ccc(Cc3nnn[n-]3)cc2)cc1 ZINC000516472202 503516798 /nfs/dbraw/zinc/51/67/98/503516798.db2.gz ICPZIDOOACBVKS-UHFFFAOYSA-N -1 3 367.478 3.474 20 0 FGADHM 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503681487 /nfs/dbraw/zinc/68/14/87/503681487.db2.gz BYPFBHPBDHCCIM-TZMCWYRMSA-N -1 3 357.211 3.006 20 0 FGADHM O=C(N[C@@H]1C[C@@H]1c1cccc(Br)c1)c1cccc2n[n-]nc21 ZINC000527107046 503681492 /nfs/dbraw/zinc/68/14/92/503681492.db2.gz BYPFBHPBDHCCIM-TZMCWYRMSA-N -1 3 357.211 3.006 20 0 FGADHM CC(C)CC(=O)NCCc1ccc(S(=O)(=O)[N-]CCC(C)(C)C)s1 ZINC000536700085 503686832 /nfs/dbraw/zinc/68/68/32/503686832.db2.gz NMGAVFYUCKCVMI-UHFFFAOYSA-N -1 3 374.572 3.167 20 0 FGADHM O=S(=O)([N-]CCSCC(F)(F)F)c1ccccc1C(F)(F)F ZINC000536702798 503687837 /nfs/dbraw/zinc/68/78/37/503687837.db2.gz LGFJMLQAQUNJBV-UHFFFAOYSA-N -1 3 367.336 3.279 20 0 FGADHM CN1CCC[C@@H](CNC(=O)N=c2ccc(C3CC3)n[n-]2)[C@@H]1c1cccs1 ZINC000532985289 503687851 /nfs/dbraw/zinc/68/78/51/503687851.db2.gz FOIBUCNHHJKZPP-KBXCAEBGSA-N -1 3 371.510 3.042 20 0 FGADHM Cc1ccc2c(ncc(C(=O)[O-])c2N2CC[C@H](Cc3cnn(C)c3)C2)c1C ZINC000517239959 503690237 /nfs/dbraw/zinc/69/02/37/503690237.db2.gz YYLIGYFTSWIXHT-OAHLLOKOSA-N -1 3 364.449 3.352 20 0 FGADHM Cc1ccc(OCc2nc(CNCc3cnc(C)[n-]c3=O)cs2)cc1 ZINC000543238351 503693690 /nfs/dbraw/zinc/69/36/90/503693690.db2.gz AOBJSJGKHJFREL-UHFFFAOYSA-N -1 3 356.451 3.124 20 0 FGADHM CCCOc1ccc([C@H](C)NC(=O)c2csc(=NCC)[n-]2)cc1OC ZINC000495196604 503696135 /nfs/dbraw/zinc/69/61/35/503696135.db2.gz YQIDLRQLBPPCJF-LBPRGKRZSA-N -1 3 363.483 3.285 20 0 FGADHM CC[C@H](SC)C(=O)N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1 ZINC000533011075 503696701 /nfs/dbraw/zinc/69/67/01/503696701.db2.gz FNKRIXKXBCVJFI-LBPRGKRZSA-N -1 3 372.263 3.480 20 0 FGADHM Cc1ccc(-c2cc(-c3nc(-c4ccnc(-n5cccn5)c4)no3)n[n-]2)o1 ZINC000546313651 503708854 /nfs/dbraw/zinc/70/88/54/503708854.db2.gz MCADOVSHNJKEEF-UHFFFAOYSA-N -1 3 359.349 3.276 20 0 FGADHM Cc1ccc(-c2cc(-c3nc(-c4ccnc(-n5cccn5)c4)no3)[n-]n2)o1 ZINC000546313651 503708860 /nfs/dbraw/zinc/70/88/60/503708860.db2.gz MCADOVSHNJKEEF-UHFFFAOYSA-N -1 3 359.349 3.276 20 0 FGADHM Cc1ncc(CNC(=O)c2cc(Br)cc3ccccc32)c(=O)[n-]1 ZINC000543316798 503722992 /nfs/dbraw/zinc/72/29/92/503722992.db2.gz 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/nfs/dbraw/zinc/77/58/38/503775838.db2.gz CNCXXFSSIGLGJS-UHFFFAOYSA-N -1 3 363.446 3.362 20 0 FGADHM CC(C)C[C@H](C)Oc1cc(CNC(=O)c2cccc3nn[n-]c32)ccn1 ZINC000527357197 503776189 /nfs/dbraw/zinc/77/61/89/503776189.db2.gz LTLAGNSNHYZURR-ZDUSSCGKSA-N -1 3 353.426 3.096 20 0 FGADHM CC(C)C[C@H](C)Oc1cc(CNC(=O)c2cccc3[n-]nnc32)ccn1 ZINC000527357197 503776191 /nfs/dbraw/zinc/77/61/91/503776191.db2.gz LTLAGNSNHYZURR-ZDUSSCGKSA-N -1 3 353.426 3.096 20 0 FGADHM CC(C)C[C@H](C)Oc1cc(CNC(=O)c2cccc3n[n-]nc32)ccn1 ZINC000527357197 503776196 /nfs/dbraw/zinc/77/61/96/503776196.db2.gz LTLAGNSNHYZURR-ZDUSSCGKSA-N -1 3 353.426 3.096 20 0 FGADHM O=C(c1cccc2[n-]nnc21)N1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000527361578 503776950 /nfs/dbraw/zinc/77/69/50/503776950.db2.gz LSEIRZMRVFDQMW-LLVKDONJSA-N -1 3 365.368 3.258 20 0 FGADHM O=C(c1cccc2nn[n-]c21)N1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000527361578 503776953 /nfs/dbraw/zinc/77/69/53/503776953.db2.gz LSEIRZMRVFDQMW-LLVKDONJSA-N -1 3 365.368 3.258 20 0 FGADHM O=C(c1cccc2n[n-]nc21)N1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000527361578 503776959 /nfs/dbraw/zinc/77/69/59/503776959.db2.gz LSEIRZMRVFDQMW-LLVKDONJSA-N -1 3 365.368 3.258 20 0 FGADHM CCOc1cccc([C@H]2C[C@@H]2[N-]S(=O)(=O)c2ccc(F)cc2F)c1 ZINC000540483391 503785776 /nfs/dbraw/zinc/78/57/76/503785776.db2.gz IAWCNDVJZQZMQS-ZBFHGGJFSA-N -1 3 353.390 3.198 20 0 FGADHM CCC[C@@H]1CCC[C@H]1C(=O)N=c1[n-]n(C)cc1I ZINC000602389204 521315165 /nfs/dbraw/zinc/31/51/65/521315165.db2.gz DWJQGDAJAKZLLX-NXEZZACHSA-N -1 3 361.227 3.180 20 0 FGADHM O=C(NCC1(C(F)F)CC1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000527476884 503802660 /nfs/dbraw/zinc/80/26/60/503802660.db2.gz KOIKWNLFYZHOLY-UHFFFAOYSA-N -1 3 371.181 3.066 20 0 FGADHM Cc1nc(C)c(CC(=O)Nc2ccc(-n3ncc4ccccc43)cc2)c(=O)[n-]1 ZINC000540517999 503803437 /nfs/dbraw/zinc/80/34/37/503803437.db2.gz UAUGKEXYKYOWJD-UHFFFAOYSA-N -1 3 373.416 3.319 20 0 FGADHM O=C(CCc1cc(Br)cs1)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000527500366 503813185 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364.405 3.165 20 0 FGADHM Cc1ccc([O-])c(CNc2ccn(-c3ccc(Br)cc3)n2)n1 ZINC000550238635 504999350 /nfs/dbraw/zinc/99/93/50/504999350.db2.gz AVPYFRXPJVTVHJ-UHFFFAOYSA-N -1 3 359.227 3.078 20 0 FGADHM O=S(=O)([N-]C(C1CC1)C1CC1)c1c(F)cccc1OC(F)(F)F ZINC000553774273 505005451 /nfs/dbraw/zinc/00/54/51/505005451.db2.gz RELBWHHMDORYHA-UHFFFAOYSA-N -1 3 353.337 3.191 20 0 FGADHM CC[C@H]1CCN1C(=O)Nc1ccc([N-]S(=O)(=O)Cc2ccccc2)cn1 ZINC000565875193 505013844 /nfs/dbraw/zinc/01/38/44/505013844.db2.gz FGBSTEBWELQYOZ-INIZCTEOSA-N -1 3 374.466 3.040 20 0 FGADHM CCN(C[C@H]1CCCN1CC)C(=O)c1cc(Br)c(F)cc1[O-] ZINC000560233251 505024133 /nfs/dbraw/zinc/02/41/33/505024133.db2.gz LVHYTVLTGUDAGW-LLVKDONJSA-N -1 3 373.266 3.240 20 0 FGADHM CCc1cc(=O)[n-]c(CN2CCC(c3nc4c(s3)CCCC4)CC2)n1 ZINC000563024847 505024693 /nfs/dbraw/zinc/02/46/93/505024693.db2.gz JSELLUONGUVFBJ-UHFFFAOYSA-N -1 3 358.511 3.460 20 0 FGADHM O=c1cc(-c2noc(C3(c4cc(F)cc(C(F)(F)F)c4)CC3)n2)nc[n-]1 ZINC000563123298 505054545 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COC(=O)c1ccc(C(=O)Nc2ccc(F)cc2OCC(F)(F)F)[n-]1 ZINC000550767254 505097208 /nfs/dbraw/zinc/09/72/08/505097208.db2.gz OMDZTKNNSIRPSC-UHFFFAOYSA-N -1 3 360.263 3.134 20 0 FGADHM COC[C@]1(C(=O)[O-])CCCN(CCOc2cc(Cl)ccc2Cl)C1 ZINC000563290491 505099000 /nfs/dbraw/zinc/09/90/00/505099000.db2.gz VLVNDVBSEYSNKD-INIZCTEOSA-N -1 3 362.253 3.185 20 0 FGADHM C[S@@](=O)Cc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000550795817 505102991 /nfs/dbraw/zinc/10/29/91/505102991.db2.gz ZNQBNINOHXWVAL-OAQYLSRUSA-N -1 3 361.847 3.158 20 0 FGADHM CC(C)(C)OC(=O)Cc1cccc(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000563387793 505129328 /nfs/dbraw/zinc/12/93/28/505129328.db2.gz VRPAIHBSVAIDCS-UHFFFAOYSA-N -1 3 369.421 3.196 20 0 FGADHM COc1cc(NC(=O)c2c(C)[n-]c(=O)nc2SC)cc2cccnc21 ZINC000557457532 505139582 /nfs/dbraw/zinc/13/95/82/505139582.db2.gz PLBKUJDEENVIAP-UHFFFAOYSA-N -1 3 356.407 3.022 20 0 FGADHM COc1ccc([C@H]2CCN(C(=O)c3c[n-]c4ccc(C)cc4c3=O)C2)cc1 ZINC000557470746 505143783 /nfs/dbraw/zinc/14/37/83/505143783.db2.gz TZCISADKLDBWES-INIZCTEOSA-N -1 3 362.429 3.475 20 0 FGADHM CCCc1nc(=NC(=O)NC[C@@H](c2ccsc2)N(CC)CC)s[n-]1 ZINC000551051257 505148048 /nfs/dbraw/zinc/14/80/48/505148048.db2.gz JJJQLPPTTXWIMH-ZDUSSCGKSA-N -1 3 367.544 3.179 20 0 FGADHM C[C@H](SCC(=O)N=c1cc2ccccn2[n-]1)c1nc2ccccc2[nH]1 ZINC000557528246 505157837 /nfs/dbraw/zinc/15/78/37/505157837.db2.gz AMYVPHCJNRAWHL-LBPRGKRZSA-N -1 3 351.435 3.065 20 0 FGADHM C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N=c1cc2ccccn2[n-]1 ZINC000557537691 505160787 /nfs/dbraw/zinc/16/07/87/505160787.db2.gz SNRWLGZFYULVOS-JTQLQIEISA-N -1 3 350.205 3.469 20 0 FGADHM Cn1cnc([N-]C(=O)c2csc(-c3ccc(Cl)c(Cl)c3)n2)n1 ZINC000566393971 505163377 /nfs/dbraw/zinc/16/33/77/505163377.db2.gz OJPPQUWKWHLJKP-UHFFFAOYSA-N -1 3 354.222 3.498 20 0 FGADHM CCc1nc2c(s1)[C@@H](N(C)C(=O)N=c1cc3ccccn3[n-]1)CCC2 ZINC000554412386 505168813 /nfs/dbraw/zinc/16/88/13/505168813.db2.gz XYOIGNWVCSSZIF-AWEZNQCLSA-N -1 3 355.467 3.316 20 0 FGADHM O=C(N=c1cc2ccccn2[n-]1)NCC1(CCOCc2ccccc2)CC1 ZINC000554414173 505169817 /nfs/dbraw/zinc/16/98/17/505169817.db2.gz QMGSLPYRQOIVSY-UHFFFAOYSA-N -1 3 364.449 3.265 20 0 FGADHM COC(=O)[C@@H](CNC(=O)[C@H]1CCC(C)=C(C)C1)Cc1ccc([O-])c(F)c1 ZINC000563537526 505169972 /nfs/dbraw/zinc/16/99/72/505169972.db2.gz LHZLRUDCFQQFJC-JKSUJKDBSA-N -1 3 363.429 3.116 20 0 FGADHM Cc1ccc(OC2CCN(C(=O)N=c3cc4ccccn4[n-]3)CC2)cc1 ZINC000554416368 505170784 /nfs/dbraw/zinc/17/07/84/505170784.db2.gz WJCURCARZZBEJN-UHFFFAOYSA-N -1 3 350.422 3.140 20 0 FGADHM CCCc1c(NC(=O)Cc2cncc([O-])c2)cnn1-c1cccc(C)c1 ZINC000566469468 505184362 /nfs/dbraw/zinc/18/43/62/505184362.db2.gz FTJAIDXLRGWHBW-UHFFFAOYSA-N -1 3 350.422 3.415 20 0 FGADHM CCOC(=O)c1ccc(NC(=O)COc2ccc(F)cc2Cl)c([O-])c1 ZINC000560793147 505186928 /nfs/dbraw/zinc/18/69/28/505186928.db2.gz UUVGSOBYAOJYHM-UHFFFAOYSA-N -1 3 367.760 3.379 20 0 FGADHM Cc1nc(C)c(-c2csc([N-]C(=O)c3nnc4ccccc4n3)n2)s1 ZINC000566565290 505207047 /nfs/dbraw/zinc/20/70/47/505207047.db2.gz 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Cc1cc(F)cc([C@@]2(F)CCN(C(=O)c3cc(F)cc4[n-]nnc43)C2)c1 ZINC000554587866 505215215 /nfs/dbraw/zinc/21/52/15/505215215.db2.gz MQYAUYRSPDQFCO-GOSISDBHSA-N -1 3 360.339 3.255 20 0 FGADHM Cc1cc(F)cc([C@@]2(F)CCN(C(=O)c3cc(F)cc4nn[n-]c43)C2)c1 ZINC000554587866 505215220 /nfs/dbraw/zinc/21/52/20/505215220.db2.gz MQYAUYRSPDQFCO-GOSISDBHSA-N -1 3 360.339 3.255 20 0 FGADHM Cc1cc(F)cc([C@@]2(F)CCN(C(=O)c3cc(F)cc4n[n-]nc43)C2)c1 ZINC000554587866 505215224 /nfs/dbraw/zinc/21/52/24/505215224.db2.gz MQYAUYRSPDQFCO-GOSISDBHSA-N -1 3 360.339 3.255 20 0 FGADHM CN(C)Cc1ccc(S(=O)(=O)[N-]c2nc(C(C)(C)C)cs2)cc1 ZINC000551391369 505216212 /nfs/dbraw/zinc/21/62/12/505216212.db2.gz WDLZPTTVNVSZFO-UHFFFAOYSA-N -1 3 353.513 3.303 20 0 FGADHM CCOc1cccc(CC[N-]S(=O)(=O)c2cccnc2C(F)(F)F)c1 ZINC000563722555 505221200 /nfs/dbraw/zinc/22/12/00/505221200.db2.gz HPQUZPWRSOBYLM-UHFFFAOYSA-N -1 3 374.384 3.020 20 0 FGADHM C[C@@H]1Oc2cc(F)ccc2[C@H]1[N-]S(=O)(=O)c1ccccc1OC(F)F ZINC000557857209 505247818 /nfs/dbraw/zinc/24/78/18/505247818.db2.gz FLRYOPUMGXCHSP-VFZGTOFNSA-N -1 3 373.352 3.228 20 0 FGADHM O=S(=O)([N-]C[C@H](CO)c1ccccc1Cl)c1ccc(Cl)s1 ZINC000557859961 505248118 /nfs/dbraw/zinc/24/81/18/505248118.db2.gz IYFCQJKIGVIQGL-SECBINFHSA-N -1 3 366.291 3.109 20 0 FGADHM O=c1[n-]nc(C2CCN(c3cc(SCc4ccccc4)ncn3)CC2)o1 ZINC000566746999 505261961 /nfs/dbraw/zinc/26/19/61/505261961.db2.gz DKUGDDRWTASCJW-UHFFFAOYSA-N -1 3 369.450 3.242 20 0 FGADHM CN(C(=O)c1ccc2n[n-]nc2c1)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000557962175 505272950 /nfs/dbraw/zinc/27/29/50/505272950.db2.gz NGHRVBUYWHWLLS-QZTJIDSGSA-N -1 3 350.422 3.276 20 0 FGADHM COc1cc2c(cc1F)[n-]cc(C(=O)N1CC(C)(C)[C@H]3CCC[C@H]31)c2=O ZINC000557963555 505273205 /nfs/dbraw/zinc/27/32/05/505273205.db2.gz VQLNHLQIQKKBGV-XJKSGUPXSA-N -1 3 358.413 3.327 20 0 FGADHM O=C(Nc1ccc(NC(=O)c2n[n-]nc2-c2ccccc2)cc1)NC1CC1 ZINC000554835152 505275457 /nfs/dbraw/zinc/27/54/57/505275457.db2.gz POZMMCVMINIUOO-UHFFFAOYSA-N -1 3 362.393 3.008 20 0 FGADHM COc1cccc(-c2nc([C@@H](NC(=O)c3ccccc3)C3CC3)no2)c1[O-] ZINC000554850532 505280823 /nfs/dbraw/zinc/28/08/23/505280823.db2.gz GGKKVBUNOQTZSP-INIZCTEOSA-N -1 3 365.389 3.332 20 0 FGADHM Cn1ccc(S(=O)(=O)[N-][C@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)n1 ZINC000563954183 505287212 /nfs/dbraw/zinc/28/72/12/505287212.db2.gz KIIZHKHGCXNAMM-KGLIPLIRSA-N -1 3 373.400 3.054 20 0 FGADHM O=C(NC12CCC(C(F)(F)F)(CC1)CC2)c1cc(=O)[n-]c(C2CC2)n1 ZINC000563970486 505291305 /nfs/dbraw/zinc/29/13/05/505291305.db2.gz ADDGPQCJOWQVQB-UHFFFAOYSA-N -1 3 355.360 3.445 20 0 FGADHM COC[C@H]([N-]S(=O)(=O)c1ccc(OC)cc1Cl)c1ccc(F)cc1 ZINC000558076678 505302259 /nfs/dbraw/zinc/30/22/59/505302259.db2.gz VNEPYSXUAHJXFP-HNNXBMFYSA-N -1 3 373.833 3.154 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)NCCCc3ccccc3F)c[n-]c12 ZINC000561305956 505310115 /nfs/dbraw/zinc/31/01/15/505310115.db2.gz YYQWSSOACHUFEY-UHFFFAOYSA-N -1 3 356.372 3.477 20 0 FGADHM CCC[C@@H](CC)[N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1OC ZINC000564075676 505319216 /nfs/dbraw/zinc/31/92/16/505319216.db2.gz ROGSIVBXPFYWED-LLVKDONJSA-N -1 3 362.879 3.164 20 0 FGADHM CCc1oc(C(=O)Nc2cc(Br)ccc2[O-])cc1C(=O)OC ZINC000555010392 505328301 /nfs/dbraw/zinc/32/83/01/505328301.db2.gz AAOZKRPJOCRROF-UHFFFAOYSA-N -1 3 368.183 3.349 20 0 FGADHM Cc1ccc(C)c(OCc2nc(-c3ccc([N-]S(C)(=O)=O)cc3)no2)c1 ZINC000555086644 505345649 /nfs/dbraw/zinc/34/56/49/505345649.db2.gz FHCONIYCRQXOEP-UHFFFAOYSA-N -1 3 373.434 3.304 20 0 FGADHM Cc1oc2ncnc([N-]C(=O)c3cn(-c4ccc(Cl)cc4)nn3)c2c1C ZINC000564185968 505346972 /nfs/dbraw/zinc/34/69/72/505346972.db2.gz WSSMCRWRDABRHI-UHFFFAOYSA-N -1 3 368.784 3.326 20 0 FGADHM c1ccc([C@@H](CN2CCCC2)N=c2[n-]nc(C3CCOCC3)s2)cc1 ZINC000555118906 505355258 /nfs/dbraw/zinc/35/52/58/505355258.db2.gz ZYPHMXSEFGQBGL-QGZVFWFLSA-N -1 3 358.511 3.103 20 0 FGADHM Cc1ccccc1N=c1[nH]c2sc(C(=O)[N-]c3ncn(C)n3)cc2s1 ZINC000558335222 505362136 /nfs/dbraw/zinc/36/21/36/505362136.db2.gz RVZYYEXCUXKMSR-UHFFFAOYSA-N -1 3 370.463 3.213 20 0 FGADHM CC[C@@H]1CCCC[C@@H]1c1nc(-c2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)no1 ZINC000558334881 505362452 /nfs/dbraw/zinc/36/24/52/505362452.db2.gz BHDXAOMUMMNVOX-RAJNIJHNSA-N -1 3 368.437 3.475 20 0 FGADHM Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)[N-]c1ncn(C)n1 ZINC000558356888 505367019 /nfs/dbraw/zinc/36/70/19/505367019.db2.gz LYHAWRCFTGOBBA-UHFFFAOYSA-N -1 3 351.288 3.050 20 0 FGADHM CCOC(=O)Cc1cccc(S(=O)(=O)[N-]c2cc(F)ccc2Cl)c1 ZINC000552019664 505371949 /nfs/dbraw/zinc/37/19/49/505371949.db2.gz GAVIAKNHKCRVDR-UHFFFAOYSA-N -1 3 371.817 3.386 20 0 FGADHM CCCOc1ccc(-c2nc(-c3cc(=O)[n-]cn3)no2)c(OC(C)C)c1 ZINC000564328014 505386113 /nfs/dbraw/zinc/38/61/13/505386113.db2.gz INKOVGFXYWCPSQ-UHFFFAOYSA-N -1 3 356.382 3.475 20 0 FGADHM CC(=O)c1cccc(NC(=O)c2cn(-c3cccc(Cl)c3F)nn2)c1[O-] ZINC000552069129 505389133 /nfs/dbraw/zinc/38/91/33/505389133.db2.gz CSFNAVYQVFEPCX-UHFFFAOYSA-N -1 3 374.759 3.220 20 0 FGADHM CC(=O)c1cccc(NC(=O)[C@@H]2C[C@H]2c2ccc3c(c2)OCCO3)c1[O-] ZINC000552069475 505389518 /nfs/dbraw/zinc/38/95/18/505389518.db2.gz VWNMBAJYVYRWAA-LSDHHAIUSA-N -1 3 353.374 3.108 20 0 FGADHM COc1cccc(C2(C[N-]S(=O)(=O)c3ccc(F)cc3Cl)CC2)c1 ZINC000564357435 505394473 /nfs/dbraw/zinc/39/44/73/505394473.db2.gz SBKLUJWVXRKHQP-UHFFFAOYSA-N -1 3 369.845 3.498 20 0 FGADHM O=C(N=c1cc2ccccn2[n-]1)N[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000558466987 505398934 /nfs/dbraw/zinc/39/89/34/505398934.db2.gz JTNDEZGCXGRMMR-UKRRQHHQSA-N -1 3 360.339 3.453 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1cscn1)c1ccc(OCC2CC2)c(F)c1 ZINC000567230756 505402189 /nfs/dbraw/zinc/40/21/89/505402189.db2.gz GNAPXOCACOGLRN-JTQLQIEISA-N -1 3 356.444 3.111 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@@H](C)Cn2ncc3ccccc32)c1-c1ccccc1 ZINC000558491389 505407229 /nfs/dbraw/zinc/40/72/29/505407229.db2.gz MALRWYZAURTESF-AWEZNQCLSA-N -1 3 359.433 3.432 20 0 FGADHM CCc1ccc([O-])c(C(=O)N(C)[C@@H]2CCCN(c3ccccc3)C2=O)c1 ZINC000552129518 505409703 /nfs/dbraw/zinc/40/97/03/505409703.db2.gz XRLVRFGHKSCJNG-GOSISDBHSA-N -1 3 352.434 3.222 20 0 FGADHM CCOc1ccc(S(=O)(=O)[N-][C@@H](C2CC2)C(F)(F)F)cc1OCC ZINC000561728654 505419321 /nfs/dbraw/zinc/41/93/21/505419321.db2.gz AJNRZJXMTAEEDE-AWEZNQCLSA-N -1 3 367.389 3.103 20 0 FGADHM CS(=O)(=O)[N-]c1ccc(C(=O)N[C@H]2CCc3sc(Cl)cc32)cc1 ZINC000558554063 505422037 /nfs/dbraw/zinc/42/20/37/505422037.db2.gz QBUNIEQXNUPZMT-LBPRGKRZSA-N -1 3 370.883 3.190 20 0 FGADHM CCCCS(=O)(=O)[N-]Cc1nc(-c2ccc(C(C)(F)F)cc2)no1 ZINC000564451891 505423427 /nfs/dbraw/zinc/42/34/27/505423427.db2.gz LEOPJMVCXQPDMO-UHFFFAOYSA-N -1 3 359.398 3.068 20 0 FGADHM CC(C)(CNC(=O)c1c[n-]nc1-c1ccccn1)Oc1cc(F)cc(F)c1 ZINC000558578359 505429237 /nfs/dbraw/zinc/42/92/37/505429237.db2.gz GMALXKGFYAILJD-UHFFFAOYSA-N -1 3 372.375 3.337 20 0 FGADHM CC[C@H](C)NS(=O)(=O)c1cccc(NCc2c(F)ccc([O-])c2F)c1 ZINC000552235803 505436476 /nfs/dbraw/zinc/43/64/76/505436476.db2.gz VDEILCPPDWHXLD-NSHDSACASA-N -1 3 370.421 3.359 20 0 FGADHM Cc1ccc(C(=O)NC2(c3noc(C(F)(F)F)n3)CCCC2)c([O-])c1 ZINC000564682559 505491364 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OWQVZSREQVDTQG-UHFFFAOYSA-N -1 3 374.412 3.293 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2OCCN(C)C)c(F)c1 ZINC000606755090 507498575 /nfs/dbraw/zinc/49/85/75/507498575.db2.gz NEKYTMOCDWKFRJ-UHFFFAOYSA-N -1 3 366.458 3.184 20 0 FGADHM Cn1[n-]c([C@H]2CCCN2C(=O)Cc2ccc(C3CCCCC3)cc2)nc1=N ZINC000614426603 507506332 /nfs/dbraw/zinc/50/63/32/507506332.db2.gz JNZGWOMXSIKTGZ-GOSISDBHSA-N -1 3 367.497 3.182 20 0 FGADHM O=C([O-])[C@]1(NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCOC1 ZINC000584795197 507508004 /nfs/dbraw/zinc/50/80/04/507508004.db2.gz KDGBEOJVKYNZSG-LBPRGKRZSA-N -1 3 357.250 3.058 20 0 FGADHM COC(=O)c1cc(CN[C@H](C(=O)[O-])c2cc(C)cc(C)c2)n2c1CCCC2 ZINC000598589418 507508480 /nfs/dbraw/zinc/50/84/80/507508480.db2.gz MRSGKMCCAXWXJU-IBGZPJMESA-N -1 3 370.449 3.143 20 0 FGADHM CC(=O)c1ccc(C(=O)N2CCN[C@H](c3ccccc3Cl)C2)cc1[O-] ZINC000614521875 507549279 /nfs/dbraw/zinc/54/92/79/507549279.db2.gz CDYNSFLAIDJQJE-KRWDZBQOSA-N -1 3 358.825 3.035 20 0 FGADHM COc1cc(C(=O)Nc2cc(C(=O)OC(C)(C)C)ccn2)cc(OC)c1[O-] ZINC000598745858 507577931 /nfs/dbraw/zinc/57/79/31/507577931.db2.gz JTVUGLOONFNYRF-UHFFFAOYSA-N -1 3 374.393 3.012 20 0 FGADHM COc1ccccc1-c1nc(NC(=O)C[C@@H](C)C(=O)c2ccccc2)n[n-]1 ZINC000602106276 507592981 /nfs/dbraw/zinc/59/29/81/507592981.db2.gz XLIMEEHWSXCLNU-CYBMUJFWSA-N -1 3 364.405 3.328 20 0 FGADHM CCOC(=O)c1c(C)c(C(C)=O)sc1[N-]C(=O)c1ncccc1F ZINC000598805040 507609886 /nfs/dbraw/zinc/60/98/86/507609886.db2.gz DGBLBPQVKWPCNB-UHFFFAOYSA-N -1 3 350.371 3.222 20 0 FGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(NC(=O)CCC(C)(F)F)ccc1F ZINC000607098641 507612152 /nfs/dbraw/zinc/61/21/52/507612152.db2.gz KGZUVGZDHKPNCZ-UHFFFAOYSA-N -1 3 366.405 3.276 20 0 FGADHM CCc1nnsc1C(=O)[N-]c1sc2c(c1C(=O)OC)CCCC2 ZINC000602211601 507629445 /nfs/dbraw/zinc/62/94/45/507629445.db2.gz UXCGSFGUVJVEME-UHFFFAOYSA-N -1 3 351.453 3.080 20 0 FGADHM CC[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)C1 ZINC000607163008 507640861 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20 0 FGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)c2cccc(N3CCCC3)c2)c1 ZINC000669205108 568650508 /nfs/dbraw/zinc/65/05/08/568650508.db2.gz OTNCRTBIULGRDY-UHFFFAOYSA-N -1 3 373.478 3.219 20 0 FGADHM O=C(Cc1c[nH]c2ccc(Cl)cc12)Nc1sccc1-c1nnn[n-]1 ZINC000737954996 598829977 /nfs/dbraw/zinc/82/99/77/598829977.db2.gz VJSZLDCSYJZOAQ-UHFFFAOYSA-N -1 3 358.814 3.244 20 0 FGADHM O=C(Cc1c[nH]c2ccc(Cl)cc12)Nc1sccc1-c1nn[n-]n1 ZINC000737954996 598829979 /nfs/dbraw/zinc/82/99/79/598829979.db2.gz VJSZLDCSYJZOAQ-UHFFFAOYSA-N -1 3 358.814 3.244 20 0 FGADHM COCCCCC(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000736977693 598836391 /nfs/dbraw/zinc/83/63/91/598836391.db2.gz ANBRRPUTNFTKBK-UHFFFAOYSA-N -1 3 371.466 3.028 20 0 FGADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000736222535 598838237 /nfs/dbraw/zinc/83/82/37/598838237.db2.gz DFWLTOUMPGKLKN-BORJPKMPSA-N -1 3 371.485 3.211 20 0 FGADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000736222535 598838239 /nfs/dbraw/zinc/83/82/39/598838239.db2.gz DFWLTOUMPGKLKN-BORJPKMPSA-N -1 3 371.485 3.211 20 0 FGADHM COC(=O)[C@H](N[C@H](C)c1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736899738 598857576 /nfs/dbraw/zinc/85/75/76/598857576.db2.gz ZWTGNZBNYCWEPP-BDJLRTHQSA-N -1 3 371.828 3.085 20 0 FGADHM COC(=O)[C@H](N[C@H](C)c1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736899738 598857578 /nfs/dbraw/zinc/85/75/78/598857578.db2.gz ZWTGNZBNYCWEPP-BDJLRTHQSA-N -1 3 371.828 3.085 20 0 FGADHM Cc1ccc2oc(SCCOc3cccc(-c4nnn[n-]4)c3)nc2c1 ZINC000737380592 598862141 /nfs/dbraw/zinc/86/21/41/598862141.db2.gz PAOBFFHBCUHIMK-UHFFFAOYSA-N -1 3 353.407 3.487 20 0 FGADHM Cc1ccc2oc(SCCOc3cccc(-c4nn[n-]n4)c3)nc2c1 ZINC000737380592 598862143 /nfs/dbraw/zinc/86/21/43/598862143.db2.gz PAOBFFHBCUHIMK-UHFFFAOYSA-N -1 3 353.407 3.487 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cc(C(C)C)no1 ZINC000736481741 598862891 /nfs/dbraw/zinc/86/28/91/598862891.db2.gz UMSGYYQEYWIQME-UHFFFAOYSA-N -1 3 354.414 3.031 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cc(C(C)C)no1 ZINC000736481741 598862894 /nfs/dbraw/zinc/86/28/94/598862894.db2.gz UMSGYYQEYWIQME-UHFFFAOYSA-N -1 3 354.414 3.031 20 0 FGADHM C[C@H](NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)C1CCCC1 ZINC000736104036 598865399 /nfs/dbraw/zinc/86/53/99/598865399.db2.gz YRYCYWRQNXBOES-AWEZNQCLSA-N -1 3 357.458 3.111 20 0 FGADHM C[C@H](NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)C1CCCC1 ZINC000736104036 598865400 /nfs/dbraw/zinc/86/54/00/598865400.db2.gz YRYCYWRQNXBOES-AWEZNQCLSA-N -1 3 357.458 3.111 20 0 FGADHM COC(=O)[C@H](N[C@@H](C)c1cccc(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736894004 598878318 /nfs/dbraw/zinc/87/83/18/598878318.db2.gz FCIWZONATNXBSI-MEDUHNTESA-N -1 3 371.828 3.085 20 0 FGADHM COC(=O)[C@H](N[C@@H](C)c1cccc(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736894004 598878320 /nfs/dbraw/zinc/87/83/20/598878320.db2.gz FCIWZONATNXBSI-MEDUHNTESA-N -1 3 371.828 3.085 20 0 FGADHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)[C@H](C)Cc1ccccc1 ZINC000736038117 598883141 /nfs/dbraw/zinc/88/31/41/598883141.db2.gz SBMFUIQRIGARRO-HUUCEWRRSA-N -1 3 366.421 3.056 20 0 FGADHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)[C@H](C)Cc1ccccc1 ZINC000736038117 598883142 /nfs/dbraw/zinc/88/31/42/598883142.db2.gz SBMFUIQRIGARRO-HUUCEWRRSA-N -1 3 366.421 3.056 20 0 FGADHM Cc1ccc(C(=O)O[C@H](C)COc2cccc(-c3nnn[n-]3)c2)c(C)c1 ZINC000737315839 598883655 /nfs/dbraw/zinc/88/36/55/598883655.db2.gz QZGDCLKIDTZBNO-CQSZACIVSA-N -1 3 352.394 3.108 20 0 FGADHM Cc1ccc(C(=O)O[C@H](C)COc2cccc(-c3nn[n-]n3)c2)c(C)c1 ZINC000737315839 598883656 /nfs/dbraw/zinc/88/36/56/598883656.db2.gz QZGDCLKIDTZBNO-CQSZACIVSA-N -1 3 352.394 3.108 20 0 FGADHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)CCCc1cccs1 ZINC000736036436 598883908 /nfs/dbraw/zinc/88/39/08/598883908.db2.gz ANBVRQFDSCZVEQ-CYBMUJFWSA-N -1 3 372.450 3.262 20 0 FGADHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)CCCc1cccs1 ZINC000736036436 598883910 /nfs/dbraw/zinc/88/39/10/598883910.db2.gz ANBVRQFDSCZVEQ-CYBMUJFWSA-N -1 3 372.450 3.262 20 0 FGADHM CC[C@@H](N[C@@H](C(=O)OC)c1ccc(-c2nnn[n-]2)cc1)C1CCCCC1 ZINC000736371646 598884108 /nfs/dbraw/zinc/88/41/08/598884108.db2.gz REWKXXFELVJYGF-IAGOWNOFSA-N -1 3 357.458 3.029 20 0 FGADHM CC[C@@H](N[C@@H](C(=O)OC)c1ccc(-c2nn[n-]n2)cc1)C1CCCCC1 ZINC000736371646 598884109 /nfs/dbraw/zinc/88/41/09/598884109.db2.gz REWKXXFELVJYGF-IAGOWNOFSA-N -1 3 357.458 3.029 20 0 FGADHM C[C@@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)c1cc2c(s1)CCC2 ZINC000736036887 598884548 /nfs/dbraw/zinc/88/45/48/598884548.db2.gz BGSWUFJQCMUFEJ-NSHDSACASA-N -1 3 370.434 3.041 20 0 FGADHM C[C@@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)c1cc2c(s1)CCC2 ZINC000736036887 598884550 /nfs/dbraw/zinc/88/45/50/598884550.db2.gz BGSWUFJQCMUFEJ-NSHDSACASA-N -1 3 370.434 3.041 20 0 FGADHM C[C@@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)CCCc1ccccc1 ZINC000736037717 598887936 /nfs/dbraw/zinc/88/79/36/598887936.db2.gz OMCOPWCURXJDLS-HNNXBMFYSA-N -1 3 366.421 3.200 20 0 FGADHM C[C@@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)CCCc1ccccc1 ZINC000736037717 598887938 /nfs/dbraw/zinc/88/79/38/598887938.db2.gz OMCOPWCURXJDLS-HNNXBMFYSA-N -1 3 366.421 3.200 20 0 FGADHM C[C@@H]1C[C@H]1CNC(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000736241413 598888658 /nfs/dbraw/zinc/88/86/58/598888658.db2.gz XTOUIHBFLJRSPR-RISCZKNCSA-N -1 3 368.466 3.050 20 0 FGADHM Cc1noc([C@H](C)Sc2nc(-c3ccccc3)ccc2-c2nnn[n-]2)n1 ZINC000737535990 598901251 /nfs/dbraw/zinc/90/12/51/598901251.db2.gz CLODLPRYPMIOPP-JTQLQIEISA-N -1 3 365.422 3.473 20 0 FGADHM Cc1noc([C@H](C)Sc2nc(-c3ccccc3)ccc2-c2nn[n-]n2)n1 ZINC000737535990 598901253 /nfs/dbraw/zinc/90/12/53/598901253.db2.gz CLODLPRYPMIOPP-JTQLQIEISA-N -1 3 365.422 3.473 20 0 FGADHM CS[C@H](C(=O)OCc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000737169717 598902180 /nfs/dbraw/zinc/90/21/80/598902180.db2.gz DRVVWRWJVRCQOS-HNNXBMFYSA-N -1 3 358.398 3.153 20 0 FGADHM CS[C@H](C(=O)OCc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000737169717 598902181 /nfs/dbraw/zinc/90/21/81/598902181.db2.gz DRVVWRWJVRCQOS-HNNXBMFYSA-N -1 3 358.398 3.153 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCCCC[C@H]1CC ZINC000736633509 598904376 /nfs/dbraw/zinc/90/43/76/598904376.db2.gz CBQMSOMIHGPZCN-CQSZACIVSA-N -1 3 358.446 3.452 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCCCC[C@H]1CC ZINC000736633509 598904377 /nfs/dbraw/zinc/90/43/77/598904377.db2.gz CBQMSOMIHGPZCN-CQSZACIVSA-N -1 3 358.446 3.452 20 0 FGADHM CC[C@H](c1ccncc1)N(CC)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736397825 598904469 /nfs/dbraw/zinc/90/44/69/598904469.db2.gz VZJZDYDYZUVAOE-MRXNPFEDSA-N -1 3 369.404 3.406 20 0 FGADHM CC[C@H](c1ccncc1)N(CC)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736397825 598904471 /nfs/dbraw/zinc/90/44/71/598904471.db2.gz VZJZDYDYZUVAOE-MRXNPFEDSA-N -1 3 369.404 3.406 20 0 FGADHM Cc1cccc([C@H](C)C(=O)O[C@@H](C)COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737390889 598910010 /nfs/dbraw/zinc/91/00/10/598910010.db2.gz WNTNPKKPSQPJKA-GJZGRUSLSA-N -1 3 366.421 3.289 20 0 FGADHM Cc1cccc([C@H](C)C(=O)O[C@@H](C)COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737390889 598910012 /nfs/dbraw/zinc/91/00/12/598910012.db2.gz WNTNPKKPSQPJKA-GJZGRUSLSA-N -1 3 366.421 3.289 20 0 FGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N[C@H]1C[C@H]1c1c(F)cccc1Cl ZINC000738178130 598912997 /nfs/dbraw/zinc/91/29/97/598912997.db2.gz FDUVJXYJZQOXJK-RISCZKNCSA-N -1 3 372.791 3.337 20 0 FGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N[C@H]1C[C@H]1c1c(F)cccc1Cl ZINC000738178130 598912998 /nfs/dbraw/zinc/91/29/98/598912998.db2.gz FDUVJXYJZQOXJK-RISCZKNCSA-N -1 3 372.791 3.337 20 0 FGADHM C[C@H](NC(=O)c1sccc1-c1nnn[n-]1)c1nc2ccccc2s1 ZINC000736124168 598928683 /nfs/dbraw/zinc/92/86/83/598928683.db2.gz FOTPPVVXMQWRTC-QMMMGPOBSA-N -1 3 356.436 3.029 20 0 FGADHM C[C@H](NC(=O)c1sccc1-c1nn[n-]n1)c1nc2ccccc2s1 ZINC000736124168 598928685 /nfs/dbraw/zinc/92/86/85/598928685.db2.gz FOTPPVVXMQWRTC-QMMMGPOBSA-N -1 3 356.436 3.029 20 0 FGADHM Cn1c(-c2ccccc2)cnc1Sc1ncc(-c2nnn[n-]2)cc1Cl ZINC000737591640 598936915 /nfs/dbraw/zinc/93/69/15/598936915.db2.gz WANHENLQSGXMIN-UHFFFAOYSA-N -1 3 369.841 3.467 20 0 FGADHM Cn1c(-c2ccccc2)cnc1Sc1ncc(-c2nn[n-]n2)cc1Cl ZINC000737591640 598936917 /nfs/dbraw/zinc/93/69/17/598936917.db2.gz WANHENLQSGXMIN-UHFFFAOYSA-N -1 3 369.841 3.467 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OCCOc1ccc(Cl)cc1F ZINC000737033625 598938846 /nfs/dbraw/zinc/93/88/46/598938846.db2.gz ZZUZDUHEEHMOOB-UHFFFAOYSA-N -1 3 364.764 3.126 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OCCOc1ccc(Cl)cc1F ZINC000737033625 598938848 /nfs/dbraw/zinc/93/88/48/598938848.db2.gz ZZUZDUHEEHMOOB-UHFFFAOYSA-N -1 3 364.764 3.126 20 0 FGADHM Cc1cc(C)cc(CCNC(=S)Nc2ccccc2-c2nnn[n-]2)c1 ZINC000737253327 598939785 /nfs/dbraw/zinc/93/97/85/598939785.db2.gz QOATVVLWMLDLCM-UHFFFAOYSA-N -1 3 352.467 3.013 20 0 FGADHM Cc1cc(C)cc(CCNC(=S)Nc2ccccc2-c2nn[n-]n2)c1 ZINC000737253327 598939787 /nfs/dbraw/zinc/93/97/87/598939787.db2.gz QOATVVLWMLDLCM-UHFFFAOYSA-N -1 3 352.467 3.013 20 0 FGADHM CC(C)C[C@@H]1CCCCCN1C(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000735795132 598943419 /nfs/dbraw/zinc/94/34/19/598943419.db2.gz LFUMNEAYWUQIKX-HOTGVXAUSA-N -1 3 371.485 3.451 20 0 FGADHM CC(C)C[C@@H]1CCCCCN1C(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000735795132 598943420 /nfs/dbraw/zinc/94/34/20/598943420.db2.gz LFUMNEAYWUQIKX-HOTGVXAUSA-N -1 3 371.485 3.451 20 0 FGADHM CCCc1ccc(N[C@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)cc1 ZINC000736496831 598959893 /nfs/dbraw/zinc/95/98/93/598959893.db2.gz IYOORNGYVBKRTE-SFHVURJKSA-N -1 3 362.437 3.037 20 0 FGADHM CCCc1ccc(N[C@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)cc1 ZINC000736496831 598959894 /nfs/dbraw/zinc/95/98/94/598959894.db2.gz IYOORNGYVBKRTE-SFHVURJKSA-N -1 3 362.437 3.037 20 0 FGADHM O=C1[C@@H](Sc2ccc(-c3nnn[n-]3)cc2)CCCN1c1ccccc1 ZINC000738294875 598979021 /nfs/dbraw/zinc/97/90/21/598979021.db2.gz FYTMEGOETZYBRG-INIZCTEOSA-N -1 3 351.435 3.154 20 0 FGADHM O=C1[C@@H](Sc2ccc(-c3nn[n-]n3)cc2)CCCN1c1ccccc1 ZINC000738294875 598979022 /nfs/dbraw/zinc/97/90/22/598979022.db2.gz FYTMEGOETZYBRG-INIZCTEOSA-N -1 3 351.435 3.154 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OCCN1CCCc2c(C)cccc21 ZINC000737030872 598987154 /nfs/dbraw/zinc/98/71/54/598987154.db2.gz BBIDYWRGKDCWOI-UHFFFAOYSA-N -1 3 365.437 3.015 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OCCN1CCCc2c(C)cccc21 ZINC000737030872 598987156 /nfs/dbraw/zinc/98/71/56/598987156.db2.gz BBIDYWRGKDCWOI-UHFFFAOYSA-N -1 3 365.437 3.015 20 0 FGADHM Cc1c(NCc2ccc(C(=O)N3CCCC3)cc2)cccc1-c1nnn[n-]1 ZINC000822123267 607256855 /nfs/dbraw/zinc/25/68/55/607256855.db2.gz XWKNQFRMMLMDOB-UHFFFAOYSA-N -1 3 362.437 3.023 20 0 FGADHM Cc1c(NCc2ccc(C(=O)N3CCCC3)cc2)cccc1-c1nn[n-]n1 ZINC000822123267 607256856 /nfs/dbraw/zinc/25/68/56/607256856.db2.gz XWKNQFRMMLMDOB-UHFFFAOYSA-N -1 3 362.437 3.023 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OCCSCc1cccc(C)c1 ZINC000737032777 599009695 /nfs/dbraw/zinc/00/96/95/599009695.db2.gz OJESMNLOUNFLSM-UHFFFAOYSA-N -1 3 356.451 3.496 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OCCSCc1cccc(C)c1 ZINC000737032777 599009697 /nfs/dbraw/zinc/00/96/97/599009697.db2.gz OJESMNLOUNFLSM-UHFFFAOYSA-N -1 3 356.451 3.496 20 0 FGADHM c1cc(COc2cccc(-c3nnn[n-]3)c2)cc(-c2nc(C3CC3)no2)c1 ZINC000738418971 599010872 /nfs/dbraw/zinc/01/08/72/599010872.db2.gz KOIONSGGQZHYRE-UHFFFAOYSA-N -1 3 360.377 3.373 20 0 FGADHM c1cc(COc2cccc(-c3nn[n-]n3)c2)cc(-c2nc(C3CC3)no2)c1 ZINC000738418971 599010873 /nfs/dbraw/zinc/01/08/73/599010873.db2.gz KOIONSGGQZHYRE-UHFFFAOYSA-N -1 3 360.377 3.373 20 0 FGADHM CC(C)C[C@@H]1CCCCCN1C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000735795879 599022140 /nfs/dbraw/zinc/02/21/40/599022140.db2.gz PAGDAIZAKRAFFZ-KRWDZBQOSA-N -1 3 356.474 3.367 20 0 FGADHM CC(C)C[C@@H]1CCCCCN1C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000735795879 599022142 /nfs/dbraw/zinc/02/21/42/599022142.db2.gz PAGDAIZAKRAFFZ-KRWDZBQOSA-N -1 3 356.474 3.367 20 0 FGADHM Cc1ccc2cccc(C(=O)N[C@@H](C)c3ccc(-c4nnn[n-]4)cc3)c2n1 ZINC000737377257 599035266 /nfs/dbraw/zinc/03/52/66/599035266.db2.gz MHNHKJASDUQWIB-ZDUSSCGKSA-N -1 3 358.405 3.214 20 0 FGADHM Cc1ccc2cccc(C(=O)N[C@@H](C)c3ccc(-c4nn[n-]n4)cc3)c2n1 ZINC000737377257 599035268 /nfs/dbraw/zinc/03/52/68/599035268.db2.gz MHNHKJASDUQWIB-ZDUSSCGKSA-N -1 3 358.405 3.214 20 0 FGADHM C[C@H]1CN(c2ccc(-c3nn[n-]n3)cc2F)C[C@@H](c2ccc(F)cc2)O1 ZINC000820766886 599038669 /nfs/dbraw/zinc/03/86/69/599038669.db2.gz DQUYOEQBRVWJBB-GTNSWQLSSA-N -1 3 357.364 3.111 20 0 FGADHM C[C@]1(c2ccccc2)C[C@@H]1Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000820633681 599038926 /nfs/dbraw/zinc/03/89/26/599038926.db2.gz CSXMSXOFWZYSJB-XJKSGUPXSA-N -1 3 360.343 3.423 20 0 FGADHM C[C@]1(c2ccccc2)C[C@@H]1Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000820633681 599038929 /nfs/dbraw/zinc/03/89/29/599038929.db2.gz CSXMSXOFWZYSJB-XJKSGUPXSA-N -1 3 360.343 3.423 20 0 FGADHM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)cc2F)C[C@@H](c2ccc(F)cc2)O1 ZINC000820766885 599038946 /nfs/dbraw/zinc/03/89/46/599038946.db2.gz DQUYOEQBRVWJBB-DIFFPNOSSA-N -1 3 357.364 3.111 20 0 FGADHM Cc1ccc(CN(c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)C2CC2)o1 ZINC000737340519 599047077 /nfs/dbraw/zinc/04/70/77/599047077.db2.gz HBXWRXQWWNOMAV-UHFFFAOYSA-N -1 3 364.331 3.351 20 0 FGADHM Cc1ccc(CN(c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)C2CC2)o1 ZINC000737340519 599047079 /nfs/dbraw/zinc/04/70/79/599047079.db2.gz HBXWRXQWWNOMAV-UHFFFAOYSA-N -1 3 364.331 3.351 20 0 FGADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(NCCOC2CCCCC2)n1 ZINC000737634971 599047941 /nfs/dbraw/zinc/04/79/41/599047941.db2.gz BZNQPNIIRSZOQE-UHFFFAOYSA-N -1 3 356.352 3.042 20 0 FGADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(NCCOC2CCCCC2)n1 ZINC000737634971 599047945 /nfs/dbraw/zinc/04/79/45/599047945.db2.gz BZNQPNIIRSZOQE-UHFFFAOYSA-N -1 3 356.352 3.042 20 0 FGADHM COc1ccc([C@@H](C)Nc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)cc1 ZINC000737073297 599049947 /nfs/dbraw/zinc/04/99/47/599049947.db2.gz BDZNWLMBRMVMJZ-SECBINFHSA-N -1 3 364.331 3.462 20 0 FGADHM COc1ccc([C@@H](C)Nc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)cc1 ZINC000737073297 599049949 /nfs/dbraw/zinc/04/99/49/599049949.db2.gz BDZNWLMBRMVMJZ-SECBINFHSA-N -1 3 364.331 3.462 20 0 FGADHM COc1cccc(O[C@@H](C)CNc2c(Cl)cccc2-c2nnn[n-]2)c1 ZINC000821873197 599063362 /nfs/dbraw/zinc/06/33/62/599063362.db2.gz SPHXPIJMHPTARC-NSHDSACASA-N -1 3 359.817 3.408 20 0 FGADHM COc1cccc(O[C@@H](C)CNc2c(Cl)cccc2-c2nn[n-]n2)c1 ZINC000821873197 599063365 /nfs/dbraw/zinc/06/33/65/599063365.db2.gz SPHXPIJMHPTARC-NSHDSACASA-N -1 3 359.817 3.408 20 0 FGADHM C[C@@H]1CCC[C@H](C(=O)N2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)C1 ZINC000736244721 599074400 /nfs/dbraw/zinc/07/44/00/599074400.db2.gz MKDWNQVQPWGTIH-ZBFHGGJFSA-N -1 3 369.469 3.063 20 0 FGADHM C[C@@H]1CCC[C@H](C(=O)N2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)C1 ZINC000736244721 599074402 /nfs/dbraw/zinc/07/44/02/599074402.db2.gz MKDWNQVQPWGTIH-ZBFHGGJFSA-N -1 3 369.469 3.063 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000738161535 599076579 /nfs/dbraw/zinc/07/65/79/599076579.db2.gz FIHXVYKBNSSGHR-CMPLNLGQSA-N -1 3 359.311 3.026 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000738161535 599076582 /nfs/dbraw/zinc/07/65/82/599076582.db2.gz FIHXVYKBNSSGHR-CMPLNLGQSA-N -1 3 359.311 3.026 20 0 FGADHM Cc1ccnc(-c2cccc(NC(=O)Nc3cccc(-c4nnn[n-]4)c3)c2)n1 ZINC000737435633 599102465 /nfs/dbraw/zinc/10/24/65/599102465.db2.gz AYLRYEBGKKGIGM-UHFFFAOYSA-N -1 3 372.392 3.276 20 0 FGADHM Cc1ccnc(-c2cccc(NC(=O)Nc3cccc(-c4nn[n-]n4)c3)c2)n1 ZINC000737435633 599102468 /nfs/dbraw/zinc/10/24/68/599102468.db2.gz AYLRYEBGKKGIGM-UHFFFAOYSA-N -1 3 372.392 3.276 20 0 FGADHM Cc1cc(NCCC(F)(F)F)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000822209425 599102619 /nfs/dbraw/zinc/10/26/19/599102619.db2.gz IQGJLVXYNJCMJQ-UHFFFAOYSA-N -1 3 361.331 3.340 20 0 FGADHM Cc1cc(NCCC(F)(F)F)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC000822209425 599102621 /nfs/dbraw/zinc/10/26/21/599102621.db2.gz IQGJLVXYNJCMJQ-UHFFFAOYSA-N -1 3 361.331 3.340 20 0 FGADHM CCO[C@H]1C[C@H](Nc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)C12CCC2 ZINC000736612001 599119401 /nfs/dbraw/zinc/11/94/01/599119401.db2.gz LFGUJYJXAYJPNG-RYUDHWBXSA-N -1 3 368.363 3.040 20 0 FGADHM CCO[C@H]1C[C@H](Nc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)C12CCC2 ZINC000736612001 599119402 /nfs/dbraw/zinc/11/94/02/599119402.db2.gz LFGUJYJXAYJPNG-RYUDHWBXSA-N -1 3 368.363 3.040 20 0 FGADHM C/C=C/COC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000736302220 599128919 /nfs/dbraw/zinc/12/89/19/599128919.db2.gz FMMHJFRJOSMBJH-NSCUHMNNSA-N -1 3 350.378 3.179 20 0 FGADHM C/C=C/COC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000736302220 599128922 /nfs/dbraw/zinc/12/89/22/599128922.db2.gz FMMHJFRJOSMBJH-NSCUHMNNSA-N -1 3 350.378 3.179 20 0 FGADHM C[C@H]1CN(Cc2ccc(F)cc2-c2nnn[n-]2)C[C@@H](c2ccc(F)cc2)O1 ZINC000736288544 599141070 /nfs/dbraw/zinc/14/10/70/599141070.db2.gz IXQRBGGZGKAJFZ-SGTLLEGYSA-N -1 3 371.391 3.107 20 0 FGADHM C[C@H]1CN(Cc2ccc(F)cc2-c2nn[n-]n2)C[C@@H](c2ccc(F)cc2)O1 ZINC000736288544 599141073 /nfs/dbraw/zinc/14/10/73/599141073.db2.gz IXQRBGGZGKAJFZ-SGTLLEGYSA-N -1 3 371.391 3.107 20 0 FGADHM C[C@H]1C[C@H](c2ccccc2)CN1C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736236308 599145275 /nfs/dbraw/zinc/14/52/75/599145275.db2.gz RMHCHJULMMGPGO-JSGCOSHPSA-N -1 3 366.400 3.416 20 0 FGADHM C[C@H]1C[C@H](c2ccccc2)CN1C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736236308 599145277 /nfs/dbraw/zinc/14/52/77/599145277.db2.gz RMHCHJULMMGPGO-JSGCOSHPSA-N -1 3 366.400 3.416 20 0 FGADHM CCN(C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)[C@@H](C)c1cccnc1 ZINC000736504937 599147545 /nfs/dbraw/zinc/14/75/45/599147545.db2.gz DXSAMZHFGIOBFR-NSHDSACASA-N -1 3 355.377 3.016 20 0 FGADHM CCN(C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)[C@@H](C)c1cccnc1 ZINC000736504937 599147546 /nfs/dbraw/zinc/14/75/46/599147546.db2.gz DXSAMZHFGIOBFR-NSHDSACASA-N -1 3 355.377 3.016 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cccc(Br)c1C ZINC000822220410 599149418 /nfs/dbraw/zinc/14/94/18/599149418.db2.gz QHLJDVXNVSWLEG-UHFFFAOYSA-N -1 3 372.226 3.498 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cccc(Br)c1C ZINC000822220410 599149420 /nfs/dbraw/zinc/14/94/20/599149420.db2.gz QHLJDVXNVSWLEG-UHFFFAOYSA-N -1 3 372.226 3.498 20 0 FGADHM COc1ccnc(C(=O)Oc2ccc(-c3ccc(-c4nnn[n-]4)cc3)cc2)c1 ZINC000737155317 599158966 /nfs/dbraw/zinc/15/89/66/599158966.db2.gz IASVZEPQCOOZQR-UHFFFAOYSA-N -1 3 373.372 3.157 20 0 FGADHM COc1ccnc(C(=O)Oc2ccc(-c3ccc(-c4nn[n-]n4)cc3)cc2)c1 ZINC000737155317 599158967 /nfs/dbraw/zinc/15/89/67/599158967.db2.gz IASVZEPQCOOZQR-UHFFFAOYSA-N -1 3 373.372 3.157 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000737290578 599161539 /nfs/dbraw/zinc/16/15/39/599161539.db2.gz DIIFNPSQPKHKKL-RYUDHWBXSA-N -1 3 355.348 3.196 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000737290578 599161541 /nfs/dbraw/zinc/16/15/41/599161541.db2.gz DIIFNPSQPKHKKL-RYUDHWBXSA-N -1 3 355.348 3.196 20 0 FGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1F)Nc1ccc2c(c1)CCC2 ZINC000737946931 599169962 /nfs/dbraw/zinc/16/99/62/599169962.db2.gz JIOSMPKRHYABNR-UHFFFAOYSA-N -1 3 369.425 3.225 20 0 FGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1F)Nc1ccc2c(c1)CCC2 ZINC000737946931 599169965 /nfs/dbraw/zinc/16/99/65/599169965.db2.gz JIOSMPKRHYABNR-UHFFFAOYSA-N -1 3 369.425 3.225 20 0 FGADHM Fc1cc(-c2nnn[n-]2)ccc1SCc1cnn(-c2ccccc2)c1 ZINC000737643869 599170111 /nfs/dbraw/zinc/17/01/11/599170111.db2.gz HCIQHMYXVDHWMS-UHFFFAOYSA-N -1 3 352.398 3.484 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1SCc1cnn(-c2ccccc2)c1 ZINC000737643869 599170114 /nfs/dbraw/zinc/17/01/14/599170114.db2.gz HCIQHMYXVDHWMS-UHFFFAOYSA-N -1 3 352.398 3.484 20 0 FGADHM Fc1cc(-c2nnn[n-]2)ccc1SCc1cncc(Br)c1 ZINC000737644792 599172255 /nfs/dbraw/zinc/17/22/55/599172255.db2.gz MBEOEMFVCIKRLO-UHFFFAOYSA-N -1 3 366.219 3.456 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1SCc1cncc(Br)c1 ZINC000737644792 599172256 /nfs/dbraw/zinc/17/22/56/599172256.db2.gz MBEOEMFVCIKRLO-UHFFFAOYSA-N -1 3 366.219 3.456 20 0 FGADHM S=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CCC[C@@H]2CCC[C@@H]21 ZINC000738400550 599176250 /nfs/dbraw/zinc/17/62/50/599176250.db2.gz GKDBPVDBUBTPEW-HZMBPMFUSA-N -1 3 362.890 3.481 20 0 FGADHM S=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CCC[C@@H]2CCC[C@@H]21 ZINC000738400550 599176251 /nfs/dbraw/zinc/17/62/51/599176251.db2.gz GKDBPVDBUBTPEW-HZMBPMFUSA-N -1 3 362.890 3.481 20 0 FGADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1)c1ncoc1-c1ccccc1Cl ZINC000738250971 599176369 /nfs/dbraw/zinc/17/63/69/599176369.db2.gz JKEAXPWQJWYHNS-UHFFFAOYSA-N -1 3 367.752 3.394 20 0 FGADHM C[C@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2)c1cccc(F)c1 ZINC000735570273 599177160 /nfs/dbraw/zinc/17/71/60/599177160.db2.gz MHTKMYANIZGDSP-VIFPVBQESA-N -1 3 357.414 3.298 20 0 FGADHM C[C@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2)c1cccc(F)c1 ZINC000735570273 599177162 /nfs/dbraw/zinc/17/71/62/599177162.db2.gz MHTKMYANIZGDSP-VIFPVBQESA-N -1 3 357.414 3.298 20 0 FGADHM C[C@H](NC(=O)N1CCC[C@H]1c1ccco1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736111346 599183079 /nfs/dbraw/zinc/18/30/79/599183079.db2.gz DDRRMOJHDHXEEY-WFASDCNBSA-N -1 3 352.398 3.067 20 0 FGADHM C[C@H](NC(=O)N1CCC[C@H]1c1ccco1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736111346 599183081 /nfs/dbraw/zinc/18/30/81/599183081.db2.gz DDRRMOJHDHXEEY-WFASDCNBSA-N -1 3 352.398 3.067 20 0 FGADHM CC(C)(NC(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1cccs1 ZINC000735671975 599196595 /nfs/dbraw/zinc/19/65/95/599196595.db2.gz XUHYTTLNPJFMCF-UHFFFAOYSA-N -1 3 359.480 3.072 20 0 FGADHM CC(C)(NC(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1cccs1 ZINC000735671975 599196596 /nfs/dbraw/zinc/19/65/96/599196596.db2.gz XUHYTTLNPJFMCF-UHFFFAOYSA-N -1 3 359.480 3.072 20 0 FGADHM CC[C@]1(C)CCCN(C(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)C1 ZINC000820949578 599200950 /nfs/dbraw/zinc/20/09/50/599200950.db2.gz CQWQMYLHTCYKLN-HXUWFJFHSA-N -1 3 371.485 3.455 20 0 FGADHM CC[C@]1(C)CCCN(C(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)C1 ZINC000820949578 599200952 /nfs/dbraw/zinc/20/09/52/599200952.db2.gz CQWQMYLHTCYKLN-HXUWFJFHSA-N -1 3 371.485 3.455 20 0 FGADHM CC[C@H](OC(=O)c1ccc(-c2nnn[n-]2)cn1)C(C)(C)c1ccccc1 ZINC000736382992 599201117 /nfs/dbraw/zinc/20/11/17/599201117.db2.gz PDSZWYCIPWVMOF-INIZCTEOSA-N -1 3 351.410 3.175 20 0 FGADHM CC[C@H](OC(=O)c1ccc(-c2nn[n-]n2)cn1)C(C)(C)c1ccccc1 ZINC000736382992 599201120 /nfs/dbraw/zinc/20/11/20/599201120.db2.gz PDSZWYCIPWVMOF-INIZCTEOSA-N -1 3 351.410 3.175 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N(Cc1ccccc1)CC(F)F ZINC000822928701 599214754 /nfs/dbraw/zinc/21/47/54/599214754.db2.gz KYDNVWGLJYOKTE-ZHACJKMWSA-N -1 3 369.375 3.174 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N(Cc1ccccc1)CC(F)F ZINC000822928701 599214755 /nfs/dbraw/zinc/21/47/55/599214755.db2.gz KYDNVWGLJYOKTE-ZHACJKMWSA-N -1 3 369.375 3.174 20 0 FGADHM CC(=O)COC(=O)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000735458355 599215546 /nfs/dbraw/zinc/21/55/46/599215546.db2.gz LPMIOQHDASGGNR-UHFFFAOYSA-N -1 3 372.768 3.058 20 0 FGADHM CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736354951 599232860 /nfs/dbraw/zinc/23/28/60/599232860.db2.gz WLPZJNIECRCXSH-LJQANCHMSA-N -1 3 363.465 3.197 20 0 FGADHM CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736354951 599232863 /nfs/dbraw/zinc/23/28/63/599232863.db2.gz WLPZJNIECRCXSH-LJQANCHMSA-N -1 3 363.465 3.197 20 0 FGADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)N1C2CCCC1CCC2 ZINC000737833524 599227206 /nfs/dbraw/zinc/22/72/06/599227206.db2.gz VLDBUTUZHSGZRS-UHFFFAOYSA-N -1 3 369.469 3.349 20 0 FGADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)N1C2CCCC1CCC2 ZINC000737833524 599227207 /nfs/dbraw/zinc/22/72/07/599227207.db2.gz VLDBUTUZHSGZRS-UHFFFAOYSA-N -1 3 369.469 3.349 20 0 FGADHM C[C@H]1C[C@@H](NC(=O)Nc2ccccc2CC(=O)[O-])CN1Cc1ccccc1 ZINC000398035693 596979991 /nfs/dbraw/zinc/97/99/91/596979991.db2.gz NAKFIOUDHNFGGX-MAUKXSAKSA-N -1 3 367.449 3.098 20 0 FGADHM Cc1c(NC(=O)COc2ccc3c(c2)CCCC3)cccc1-c1nnn[n-]1 ZINC000822077791 607268231 /nfs/dbraw/zinc/26/82/31/607268231.db2.gz YCSSRFBEKXEAHM-UHFFFAOYSA-N -1 3 363.421 3.071 20 0 FGADHM Cc1c(NC(=O)COc2ccc3c(c2)CCCC3)cccc1-c1nn[n-]n1 ZINC000822077791 607268232 /nfs/dbraw/zinc/26/82/32/607268232.db2.gz YCSSRFBEKXEAHM-UHFFFAOYSA-N -1 3 363.421 3.071 20 0 FGADHM C[C@@H](NC(=S)N[C@@H](C)c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820403404 599237725 /nfs/dbraw/zinc/23/77/25/599237725.db2.gz JOVQBJXEKLPANL-QWHCGFSZSA-N -1 3 352.467 3.153 20 0 FGADHM C[C@@H](NC(=S)N[C@@H](C)c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820403404 599237728 /nfs/dbraw/zinc/23/77/28/599237728.db2.gz JOVQBJXEKLPANL-QWHCGFSZSA-N -1 3 352.467 3.153 20 0 FGADHM Cc1c(NC(=O)[C@@H](C)CCOc2ccccc2)cccc1-c1nnn[n-]1 ZINC000822061535 607267982 /nfs/dbraw/zinc/26/79/82/607267982.db2.gz PJWOYSLJPDZXDT-ZDUSSCGKSA-N -1 3 351.410 3.219 20 0 FGADHM Cc1c(NC(=O)[C@@H](C)CCOc2ccccc2)cccc1-c1nn[n-]n1 ZINC000822061535 607267983 /nfs/dbraw/zinc/26/79/83/607267983.db2.gz PJWOYSLJPDZXDT-ZDUSSCGKSA-N -1 3 351.410 3.219 20 0 FGADHM CCCC[C@@H](CC)CC(=O)OCC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000736436614 599241655 /nfs/dbraw/zinc/24/16/55/599241655.db2.gz DVJQMVLMXWSYAJ-LLVKDONJSA-N -1 3 365.459 3.016 20 0 FGADHM CCCC[C@@H](CC)CC(=O)OCC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000736436614 599241656 /nfs/dbraw/zinc/24/16/56/599241656.db2.gz DVJQMVLMXWSYAJ-LLVKDONJSA-N -1 3 365.459 3.016 20 0 FGADHM COc1ccc([C@H](C)CCNC(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821777176 599244135 /nfs/dbraw/zinc/24/41/35/599244135.db2.gz BSHGLDHZWVLIAK-CYBMUJFWSA-N -1 3 366.425 3.191 20 0 FGADHM COc1ccc([C@H](C)CCNC(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821777176 599244137 /nfs/dbraw/zinc/24/41/37/599244137.db2.gz BSHGLDHZWVLIAK-CYBMUJFWSA-N -1 3 366.425 3.191 20 0 FGADHM C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)Nc2cccc(CC(=O)[O-])c2)C1 ZINC000737721724 597195871 /nfs/dbraw/zinc/19/58/71/597195871.db2.gz QIEAYKCYZQIDNF-KXBFYZLASA-N -1 3 367.449 3.271 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CCC(C(F)(F)F)CC1 ZINC000823303801 599250347 /nfs/dbraw/zinc/25/03/47/599250347.db2.gz VZKQJSOHKZWKBX-UHFFFAOYSA-N -1 3 374.754 3.326 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CCC(C(F)(F)F)CC1 ZINC000823303801 599250348 /nfs/dbraw/zinc/25/03/48/599250348.db2.gz VZKQJSOHKZWKBX-UHFFFAOYSA-N -1 3 374.754 3.326 20 0 FGADHM Cc1ccc(OCCCNC(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1 ZINC000822263258 607281883 /nfs/dbraw/zinc/28/18/83/607281883.db2.gz KBPXTYQRRSDYNF-UHFFFAOYSA-N -1 3 366.425 3.074 20 0 FGADHM Cc1ccc(OCCCNC(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1 ZINC000822263258 607281884 /nfs/dbraw/zinc/28/18/84/607281884.db2.gz KBPXTYQRRSDYNF-UHFFFAOYSA-N -1 3 366.425 3.074 20 0 FGADHM Cc1c(NC(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)cccc1-c1nnn[n-]1 ZINC000822090093 607284403 /nfs/dbraw/zinc/28/44/03/607284403.db2.gz IRAPYBVVJBHHPC-GHMZBOCLSA-N -1 3 368.363 3.418 20 0 FGADHM Cc1c(NC(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)cccc1-c1nn[n-]n1 ZINC000822090093 607284404 /nfs/dbraw/zinc/28/44/04/607284404.db2.gz IRAPYBVVJBHHPC-GHMZBOCLSA-N -1 3 368.363 3.418 20 0 FGADHM Cc1c(NC(=O)N[C@@H](C)CCc2ccc(O)cc2)cccc1-c1nnn[n-]1 ZINC000822091122 607284412 /nfs/dbraw/zinc/28/44/12/607284412.db2.gz OKQQPSASOLGLHM-LBPRGKRZSA-N -1 3 366.425 3.024 20 0 FGADHM Cc1c(NC(=O)N[C@@H](C)CCc2ccc(O)cc2)cccc1-c1nn[n-]n1 ZINC000822091122 607284413 /nfs/dbraw/zinc/28/44/13/607284413.db2.gz OKQQPSASOLGLHM-LBPRGKRZSA-N -1 3 366.425 3.024 20 0 FGADHM CCOc1cc(F)ccc1NC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821400183 599257441 /nfs/dbraw/zinc/25/74/41/599257441.db2.gz GENUUNWVYQZOKY-LLVKDONJSA-N -1 3 370.388 3.287 20 0 FGADHM CCOc1cc(F)ccc1NC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821400183 599257443 /nfs/dbraw/zinc/25/74/43/599257443.db2.gz GENUUNWVYQZOKY-LLVKDONJSA-N -1 3 370.388 3.287 20 0 FGADHM Cc1c(NC(=O)NCC2(c3ccccc3)CCC2)cccc1-c1nnn[n-]1 ZINC000822097267 607286045 /nfs/dbraw/zinc/28/60/45/607286045.db2.gz WFNYQQKPBCJIMZ-UHFFFAOYSA-N -1 3 362.437 3.419 20 0 FGADHM Cc1c(NC(=O)NCC2(c3ccccc3)CCC2)cccc1-c1nn[n-]n1 ZINC000822097267 607286046 /nfs/dbraw/zinc/28/60/46/607286046.db2.gz WFNYQQKPBCJIMZ-UHFFFAOYSA-N -1 3 362.437 3.419 20 0 FGADHM CCCOc1ccc(CNC(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1 ZINC000821134573 607286979 /nfs/dbraw/zinc/28/69/79/607286979.db2.gz YXHWQUCAMNCGGT-UHFFFAOYSA-N -1 3 366.425 3.286 20 0 FGADHM CCCOc1ccc(CNC(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1 ZINC000821134573 607286980 /nfs/dbraw/zinc/28/69/80/607286980.db2.gz YXHWQUCAMNCGGT-UHFFFAOYSA-N -1 3 366.425 3.286 20 0 FGADHM Cc1c(NC(=O)NCc2ccc(F)c(Cl)c2)cccc1-c1nnn[n-]1 ZINC000822103416 607287118 /nfs/dbraw/zinc/28/71/18/607287118.db2.gz GIFODZCCOSIKBP-UHFFFAOYSA-N -1 3 360.780 3.289 20 0 FGADHM Cc1c(NC(=O)NCc2ccc(F)c(Cl)c2)cccc1-c1nn[n-]n1 ZINC000822103416 607287119 /nfs/dbraw/zinc/28/71/19/607287119.db2.gz GIFODZCCOSIKBP-UHFFFAOYSA-N -1 3 360.780 3.289 20 0 FGADHM C[C@@H](NC(=O)N1CCC2(C1)CCCCC2)c1ccc(-c2nnn[n-]2)cc1 ZINC000820342877 599261677 /nfs/dbraw/zinc/26/16/77/599261677.db2.gz XLZGSXRIQVERJV-CQSZACIVSA-N -1 3 354.458 3.294 20 0 FGADHM C[C@@H](NC(=O)N1CCC2(C1)CCCCC2)c1ccc(-c2nn[n-]n2)cc1 ZINC000820342877 599261680 /nfs/dbraw/zinc/26/16/80/599261680.db2.gz XLZGSXRIQVERJV-CQSZACIVSA-N -1 3 354.458 3.294 20 0 FGADHM COc1ccc([C@@H](C)NC(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1F ZINC000821777676 607292043 /nfs/dbraw/zinc/29/20/43/607292043.db2.gz KVPJPORMBCCSMJ-LLVKDONJSA-N -1 3 370.388 3.206 20 0 FGADHM COc1ccc([C@@H](C)NC(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1F ZINC000821777676 607292044 /nfs/dbraw/zinc/29/20/44/607292044.db2.gz KVPJPORMBCCSMJ-LLVKDONJSA-N -1 3 370.388 3.206 20 0 FGADHM CCc1ccc([C@H]2CCCN2C(=O)CCc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000736684986 599259500 /nfs/dbraw/zinc/25/95/00/599259500.db2.gz JEKPLKGGJHPMQD-QGZVFWFLSA-N -1 3 365.437 3.318 20 0 FGADHM CCc1ccc([C@H]2CCCN2C(=O)CCc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000736684986 599259502 /nfs/dbraw/zinc/25/95/02/599259502.db2.gz JEKPLKGGJHPMQD-QGZVFWFLSA-N -1 3 365.437 3.318 20 0 FGADHM Cc1c(Br)cccc1C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000822014856 607296252 /nfs/dbraw/zinc/29/62/52/607296252.db2.gz ADEBFQKQXIHBGK-UHFFFAOYSA-N -1 3 372.226 3.498 20 0 FGADHM Cc1c(Br)cccc1C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000822014856 607296253 /nfs/dbraw/zinc/29/62/53/607296253.db2.gz ADEBFQKQXIHBGK-UHFFFAOYSA-N -1 3 372.226 3.498 20 0 FGADHM Cc1c(NC(=O)C2(c3ccc(Cl)cc3)CC2)cccc1-c1nnn[n-]1 ZINC000822060899 607296402 /nfs/dbraw/zinc/29/64/02/607296402.db2.gz JQIBXAJTZHUSMP-UHFFFAOYSA-N -1 3 353.813 3.499 20 0 FGADHM Cc1c(NC(=O)C2(c3ccc(Cl)cc3)CC2)cccc1-c1nn[n-]n1 ZINC000822060899 607296403 /nfs/dbraw/zinc/29/64/03/607296403.db2.gz JQIBXAJTZHUSMP-UHFFFAOYSA-N -1 3 353.813 3.499 20 0 FGADHM O[C@@H]1CCCC[C@@H]1CCCNc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000823706907 607306548 /nfs/dbraw/zinc/30/65/48/607306548.db2.gz RQKPGKXICKFVKW-CXAGYDPISA-N -1 3 352.442 3.158 20 0 FGADHM O[C@@H]1CCCC[C@@H]1CCCNc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000823706907 607306549 /nfs/dbraw/zinc/30/65/49/607306549.db2.gz RQKPGKXICKFVKW-CXAGYDPISA-N -1 3 352.442 3.158 20 0 FGADHM c1nc2ccc(-c3nnn[n-]3)cn2c1CNc1cccc(N2CCCCC2)c1 ZINC000823757635 607310425 /nfs/dbraw/zinc/31/04/25/607310425.db2.gz SIIWMSFZOKVOJG-UHFFFAOYSA-N -1 3 374.452 3.117 20 0 FGADHM c1nc2ccc(-c3nn[n-]n3)cn2c1CNc1cccc(N2CCCCC2)c1 ZINC000823757635 607310426 /nfs/dbraw/zinc/31/04/26/607310426.db2.gz SIIWMSFZOKVOJG-UHFFFAOYSA-N -1 3 374.452 3.117 20 0 FGADHM CCOCCC1(C(=O)Nc2sc(C)c(CC)c2-c2nnn[n-]2)CCC1 ZINC000821373874 607313990 /nfs/dbraw/zinc/31/39/90/607313990.db2.gz NCMLFQRNEJAOQY-UHFFFAOYSA-N -1 3 363.487 3.334 20 0 FGADHM CCOCCC1(C(=O)Nc2sc(C)c(CC)c2-c2nn[n-]n2)CCC1 ZINC000821373874 607313991 /nfs/dbraw/zinc/31/39/91/607313991.db2.gz NCMLFQRNEJAOQY-UHFFFAOYSA-N -1 3 363.487 3.334 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1N(Cc1cccs1)C[C@@H]1CCCO1 ZINC000822744300 607304711 /nfs/dbraw/zinc/30/47/11/607304711.db2.gz QCBGLILIYBKCTF-ZDUSSCGKSA-N -1 3 359.430 3.253 20 0 FGADHM CCN(Cc1ccc(OC)c(OC)c1)c1cccc(F)c1-c1nnn[n-]1 ZINC000821221486 607305470 /nfs/dbraw/zinc/30/54/70/607305470.db2.gz JFQNOSYKYXLWTD-UHFFFAOYSA-N -1 3 357.389 3.050 20 0 FGADHM CCN(Cc1ccc(OC)c(OC)c1)c1cccc(F)c1-c1nn[n-]n1 ZINC000821221486 607305471 /nfs/dbraw/zinc/30/54/71/607305471.db2.gz JFQNOSYKYXLWTD-UHFFFAOYSA-N -1 3 357.389 3.050 20 0 FGADHM CCC(CC)n1nccc1C(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820902849 607317536 /nfs/dbraw/zinc/31/75/36/607317536.db2.gz OTHHCWRVIOPHIT-LBPRGKRZSA-N -1 3 354.414 3.342 20 0 FGADHM CCC(CC)n1nccc1C(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820902849 607317537 /nfs/dbraw/zinc/31/75/37/607317537.db2.gz OTHHCWRVIOPHIT-LBPRGKRZSA-N -1 3 354.414 3.342 20 0 FGADHM COC(=O)[C@H](N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)c1cccc(Cl)c1 ZINC000736893476 599274212 /nfs/dbraw/zinc/27/42/12/599274212.db2.gz DJBWZYSBYQQSQB-MEDUHNTESA-N -1 3 371.828 3.085 20 0 FGADHM COC(=O)[C@H](N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)c1cccc(Cl)c1 ZINC000736893476 599274213 /nfs/dbraw/zinc/27/42/13/599274213.db2.gz DJBWZYSBYQQSQB-MEDUHNTESA-N -1 3 371.828 3.085 20 0 FGADHM CO[C@H](C)c1cccc(NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000821673522 599274450 /nfs/dbraw/zinc/27/44/50/599274450.db2.gz DOFPVZDPJFPQIC-QWHCGFSZSA-N -1 3 366.425 3.457 20 0 FGADHM CO[C@H](C)c1cccc(NC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000821673522 599274453 /nfs/dbraw/zinc/27/44/53/599274453.db2.gz DOFPVZDPJFPQIC-QWHCGFSZSA-N -1 3 366.425 3.457 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N1CCS[C@@H](c2ccccc2)C1 ZINC000738151404 599276840 /nfs/dbraw/zinc/27/68/40/599276840.db2.gz HYRGBNUVPVWVLW-MRXNPFEDSA-N -1 3 366.450 3.189 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N1CCS[C@@H](c2ccccc2)C1 ZINC000738151404 599276844 /nfs/dbraw/zinc/27/68/44/599276844.db2.gz HYRGBNUVPVWVLW-MRXNPFEDSA-N -1 3 366.450 3.189 20 0 FGADHM c1sc(CNc2cccc(-c3noc(C4CC4)n3)c2)cc1-c1nnn[n-]1 ZINC000823757004 607319036 /nfs/dbraw/zinc/31/90/36/607319036.db2.gz JFVQENACESKUJD-UHFFFAOYSA-N -1 3 365.422 3.468 20 0 FGADHM c1sc(CNc2cccc(-c3noc(C4CC4)n3)c2)cc1-c1nn[n-]n1 ZINC000823757004 607319037 /nfs/dbraw/zinc/31/90/37/607319037.db2.gz JFVQENACESKUJD-UHFFFAOYSA-N -1 3 365.422 3.468 20 0 FGADHM c1cc(-c2nnn[n-]2)sc1CNc1cccc(-c2noc(C3CC3)n2)c1 ZINC000823757373 607319102 /nfs/dbraw/zinc/31/91/02/607319102.db2.gz POVBBTBZMDBENT-UHFFFAOYSA-N -1 3 365.422 3.468 20 0 FGADHM CC[C@H]1CCCN1C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820981977 599289070 /nfs/dbraw/zinc/28/90/70/599289070.db2.gz YNOXLQZIZZMRGN-JTQLQIEISA-N -1 3 354.336 3.292 20 0 FGADHM CC[C@H]1CCCN1C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820981977 599289072 /nfs/dbraw/zinc/28/90/72/599289072.db2.gz YNOXLQZIZZMRGN-JTQLQIEISA-N -1 3 354.336 3.292 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)NC(C1CC1)C1CC1 ZINC000823303786 599290231 /nfs/dbraw/zinc/29/02/31/599290231.db2.gz VJVMBAZKMPPKBQ-UHFFFAOYSA-N -1 3 366.347 3.196 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)NC(C1CC1)C1CC1 ZINC000823303786 599290233 /nfs/dbraw/zinc/29/02/33/599290233.db2.gz VJVMBAZKMPPKBQ-UHFFFAOYSA-N -1 3 366.347 3.196 20 0 FGADHM Cc1c(NC(=O)c2ccc(NC(=O)C(C)C)cc2)cccc1-c1nnn[n-]1 ZINC000822108330 607322025 /nfs/dbraw/zinc/32/20/25/607322025.db2.gz HSNMTJBRQSOXBT-UHFFFAOYSA-N -1 3 364.409 3.022 20 0 FGADHM Cc1c(NC(=O)c2ccc(NC(=O)C(C)C)cc2)cccc1-c1nn[n-]n1 ZINC000822108330 607322026 /nfs/dbraw/zinc/32/20/26/607322026.db2.gz HSNMTJBRQSOXBT-UHFFFAOYSA-N -1 3 364.409 3.022 20 0 FGADHM COc1ccc([C@@H](C)NCc2cccc(C(=O)[O-])c2)cc1Cn1cccn1 ZINC000820819930 598192602 /nfs/dbraw/zinc/19/26/02/598192602.db2.gz JQNIPTMVDSLMQR-OAHLLOKOSA-N -1 3 365.433 3.489 20 0 FGADHM CCOCCCC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736609574 598231695 /nfs/dbraw/zinc/23/16/95/598231695.db2.gz CKFVCNPNUNCGOT-UHFFFAOYSA-N -1 3 367.409 3.414 20 0 FGADHM CCOCCCC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736609574 598231697 /nfs/dbraw/zinc/23/16/97/598231697.db2.gz CKFVCNPNUNCGOT-UHFFFAOYSA-N -1 3 367.409 3.414 20 0 FGADHM O=C(Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)[C@H]1CCCOC1 ZINC000738182273 598233038 /nfs/dbraw/zinc/23/30/38/598233038.db2.gz BFLKYGGJJZWFAC-AWEZNQCLSA-N -1 3 365.393 3.024 20 0 FGADHM O=C(Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)[C@H]1CCCOC1 ZINC000738182273 598233039 /nfs/dbraw/zinc/23/30/39/598233039.db2.gz BFLKYGGJJZWFAC-AWEZNQCLSA-N -1 3 365.393 3.024 20 0 FGADHM CC[C@H](C)[C@H](C)N(C(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1)C1CC1 ZINC000736328236 598240530 /nfs/dbraw/zinc/24/05/30/598240530.db2.gz GQURTMOLGSEZEF-MELADBBJSA-N -1 3 357.458 3.060 20 0 FGADHM CC[C@H](C)[C@H](C)N(C(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1)C1CC1 ZINC000736328236 598240531 /nfs/dbraw/zinc/24/05/31/598240531.db2.gz GQURTMOLGSEZEF-MELADBBJSA-N -1 3 357.458 3.060 20 0 FGADHM Fc1cccc(N2CCC(c3c[nH]c4ncccc34)CC2)c1-c1nnn[n-]1 ZINC000737662244 598241056 /nfs/dbraw/zinc/24/10/56/598241056.db2.gz SGXIDFIKVLPTEQ-UHFFFAOYSA-N -1 3 363.400 3.266 20 0 FGADHM Fc1cccc(N2CCC(c3c[nH]c4ncccc34)CC2)c1-c1nn[n-]n1 ZINC000737662244 598241057 /nfs/dbraw/zinc/24/10/57/598241057.db2.gz SGXIDFIKVLPTEQ-UHFFFAOYSA-N -1 3 363.400 3.266 20 0 FGADHM O[C@H](CNc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1C(F)(F)F ZINC000738383709 598242365 /nfs/dbraw/zinc/24/23/65/598242365.db2.gz PJUYBATZHSBPFR-CQSZACIVSA-N -1 3 367.306 3.170 20 0 FGADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)NCc1ccc2ccccc2c1 ZINC000738117468 598269915 /nfs/dbraw/zinc/26/99/15/598269915.db2.gz UGVVSQYQZLFEEU-UHFFFAOYSA-N -1 3 358.405 3.019 20 0 FGADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)NCc1ccc2ccccc2c1 ZINC000738117468 598269917 /nfs/dbraw/zinc/26/99/17/598269917.db2.gz UGVVSQYQZLFEEU-UHFFFAOYSA-N -1 3 358.405 3.019 20 0 FGADHM C[C@H](Nc1cccc(C(F)F)c1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000736137059 598273187 /nfs/dbraw/zinc/27/31/87/598273187.db2.gz KDYFWXOJGLYOHO-JTQLQIEISA-N -1 3 358.352 3.243 20 0 FGADHM C[C@H](Nc1cccc(C(F)F)c1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000736137059 598273189 /nfs/dbraw/zinc/27/31/89/598273189.db2.gz KDYFWXOJGLYOHO-JTQLQIEISA-N -1 3 358.352 3.243 20 0 FGADHM CN(C(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc(-c2nnn[n-]2)cc1F ZINC000736733741 598279992 /nfs/dbraw/zinc/27/99/92/598279992.db2.gz XSJFADBKLMRVPC-GHMZBOCLSA-N -1 3 371.338 3.337 20 0 FGADHM CN(C(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736733741 598279994 /nfs/dbraw/zinc/27/99/94/598279994.db2.gz XSJFADBKLMRVPC-GHMZBOCLSA-N -1 3 371.338 3.337 20 0 FGADHM O=C(OCCCOc1ccc(-c2nn[n-]n2)cc1)c1cccc(C(F)F)c1 ZINC000738220450 598289809 /nfs/dbraw/zinc/28/98/09/598289809.db2.gz ITUJZOZERDPUNQ-UHFFFAOYSA-N -1 3 374.347 3.430 20 0 FGADHM Cc1ccc(CCCC(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000737338812 598308272 /nfs/dbraw/zinc/30/82/72/598308272.db2.gz XIZQPIVXALDIMV-UHFFFAOYSA-N -1 3 353.401 3.300 20 0 FGADHM Cc1ccc(CCCC(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000737338812 598308273 /nfs/dbraw/zinc/30/82/73/598308273.db2.gz XIZQPIVXALDIMV-UHFFFAOYSA-N -1 3 353.401 3.300 20 0 FGADHM Cc1cc([C@@H](C)NC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)c(C)s1 ZINC000737245809 598318061 /nfs/dbraw/zinc/31/80/61/598318061.db2.gz POULMYXMJVRURF-SNVBAGLBSA-N -1 3 374.445 3.245 20 0 FGADHM Cc1cc([C@@H](C)NC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)c(C)s1 ZINC000737245809 598318063 /nfs/dbraw/zinc/31/80/63/598318063.db2.gz POULMYXMJVRURF-SNVBAGLBSA-N -1 3 374.445 3.245 20 0 FGADHM CCC[C@@H](C)N(C)C(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000736424280 598327351 /nfs/dbraw/zinc/32/73/51/598327351.db2.gz PXLUHAGFJLNQRZ-CYBMUJFWSA-N -1 3 369.425 3.299 20 0 FGADHM CCC[C@@H](C)N(C)C(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000736424280 598327352 /nfs/dbraw/zinc/32/73/52/598327352.db2.gz PXLUHAGFJLNQRZ-CYBMUJFWSA-N -1 3 369.425 3.299 20 0 FGADHM CC(C)(C)C[C@@H]1CCCN1C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000735604578 598327876 /nfs/dbraw/zinc/32/78/76/598327876.db2.gz WZXFLCZFMNNION-AWEZNQCLSA-N -1 3 360.437 3.116 20 0 FGADHM CC(C)(C)C[C@@H]1CCCN1C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000735604578 598327879 /nfs/dbraw/zinc/32/78/79/598327879.db2.gz WZXFLCZFMNNION-AWEZNQCLSA-N -1 3 360.437 3.116 20 0 FGADHM CC[C@@H](COC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000736355369 598331742 /nfs/dbraw/zinc/33/17/42/598331742.db2.gz ZWVRSOWUKRUESA-CABCVRRESA-N -1 3 366.421 3.371 20 0 FGADHM O=C(OCCOc1ccccc1-c1nnn[n-]1)c1ccc(C(F)F)cc1 ZINC000738222155 598359898 /nfs/dbraw/zinc/35/98/98/598359898.db2.gz KJWQLJPQPRVDHC-UHFFFAOYSA-N -1 3 360.320 3.040 20 0 FGADHM O=C(OCCOc1ccccc1-c1nn[n-]n1)c1ccc(C(F)F)cc1 ZINC000738222155 598359900 /nfs/dbraw/zinc/35/99/00/598359900.db2.gz KJWQLJPQPRVDHC-UHFFFAOYSA-N -1 3 360.320 3.040 20 0 FGADHM O[C@@H](COc1ccc(-c2nn[n-]n2)cc1)CSc1ccccc1Cl ZINC000738388535 598364027 /nfs/dbraw/zinc/36/40/27/598364027.db2.gz TZQUGJRESRZJGA-LBPRGKRZSA-N -1 3 362.842 3.052 20 0 FGADHM CC(C=C1N=C(c2ccc(-c3nnn[n-]3)cc2)OC1=O)=Cc1ccccc1 ZINC000735449028 598378089 /nfs/dbraw/zinc/37/80/89/598378089.db2.gz UQWRMRKRCIARRP-RQGFIEOQSA-N -1 3 357.373 3.158 20 0 FGADHM CC(C=C1N=C(c2ccc(-c3nn[n-]n3)cc2)OC1=O)=Cc1ccccc1 ZINC000735449028 598378090 /nfs/dbraw/zinc/37/80/90/598378090.db2.gz UQWRMRKRCIARRP-RQGFIEOQSA-N -1 3 357.373 3.158 20 0 FGADHM Cc1cccc2[nH]cc(C=C3N=C(c4ccc(-c5nnn[n-]5)cc4)OC3=O)c21 ZINC000737409834 598378897 /nfs/dbraw/zinc/37/88/97/598378897.db2.gz STYIGGWESBWKKV-SXGWCWSVSA-N -1 3 370.372 3.001 20 0 FGADHM Cc1cccc2[nH]cc(C=C3N=C(c4ccc(-c5nn[n-]n5)cc4)OC3=O)c21 ZINC000737409834 598378898 /nfs/dbraw/zinc/37/88/98/598378898.db2.gz STYIGGWESBWKKV-SXGWCWSVSA-N -1 3 370.372 3.001 20 0 FGADHM CO[C@@H](C)c1cccc(NC(=O)CCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736964288 598381610 /nfs/dbraw/zinc/38/16/10/598381610.db2.gz WSKLYPDROZPPBA-ZDUSSCGKSA-N -1 3 351.410 3.145 20 0 FGADHM CO[C@@H](C)c1cccc(NC(=O)CCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736964288 598381611 /nfs/dbraw/zinc/38/16/11/598381611.db2.gz WSKLYPDROZPPBA-ZDUSSCGKSA-N -1 3 351.410 3.145 20 0 FGADHM CC(C)COc1ccc(CC(=O)Nc2sccc2-c2nnn[n-]2)cc1 ZINC000735838142 598394011 /nfs/dbraw/zinc/39/40/11/598394011.db2.gz OIURPHNCGWKMOX-UHFFFAOYSA-N -1 3 357.439 3.144 20 0 FGADHM CC(C)COc1ccc(CC(=O)Nc2sccc2-c2nn[n-]n2)cc1 ZINC000735838142 598394012 /nfs/dbraw/zinc/39/40/12/598394012.db2.gz OIURPHNCGWKMOX-UHFFFAOYSA-N -1 3 357.439 3.144 20 0 FGADHM CO[C@](C)(C(=O)Nc1sc(C)c(C)c1-c1nnn[n-]1)c1ccccc1 ZINC000736957402 598394114 /nfs/dbraw/zinc/39/41/14/598394114.db2.gz RLIBERXMPWRGEY-KRWDZBQOSA-N -1 3 357.439 3.045 20 0 FGADHM CO[C@](C)(C(=O)Nc1sc(C)c(C)c1-c1nn[n-]n1)c1ccccc1 ZINC000736957402 598394116 /nfs/dbraw/zinc/39/41/16/598394116.db2.gz RLIBERXMPWRGEY-KRWDZBQOSA-N -1 3 357.439 3.045 20 0 FGADHM C[C@@H]1c2ccccc2CCN1C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736304035 598413064 /nfs/dbraw/zinc/41/30/64/598413064.db2.gz NNDQASWXKZFVDA-LLVKDONJSA-N -1 3 352.373 3.157 20 0 FGADHM C[C@@H]1c2ccccc2CCN1C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736304035 598413066 /nfs/dbraw/zinc/41/30/66/598413066.db2.gz NNDQASWXKZFVDA-LLVKDONJSA-N -1 3 352.373 3.157 20 0 FGADHM Clc1ccccc1-c1nnc(CNc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000737573249 598416128 /nfs/dbraw/zinc/41/61/28/598416128.db2.gz DGPQZSMJWNZRHO-UHFFFAOYSA-N -1 3 353.773 3.182 20 0 FGADHM COC[C@@H](NC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccccc1 ZINC000736981136 598426801 /nfs/dbraw/zinc/42/68/01/598426801.db2.gz YCRUBBXUACSJIO-OAHLLOKOSA-N -1 3 372.816 3.029 20 0 FGADHM COC[C@@H](NC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccccc1 ZINC000736981136 598426802 /nfs/dbraw/zinc/42/68/02/598426802.db2.gz YCRUBBXUACSJIO-OAHLLOKOSA-N -1 3 372.816 3.029 20 0 FGADHM Cc1cc(C(=O)Oc2ccc(-c3nnn[n-]3)cc2)cc(C)c1OC(F)F ZINC000737240321 598435561 /nfs/dbraw/zinc/43/55/61/598435561.db2.gz FLEHGHVPLNELRW-UHFFFAOYSA-N -1 3 360.320 3.304 20 0 FGADHM Cc1cc(C(=O)Oc2ccc(-c3nn[n-]n3)cc2)cc(C)c1OC(F)F ZINC000737240321 598435563 /nfs/dbraw/zinc/43/55/63/598435563.db2.gz FLEHGHVPLNELRW-UHFFFAOYSA-N -1 3 360.320 3.304 20 0 FGADHM COc1ccccc1C(C)=CC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737141947 598443087 /nfs/dbraw/zinc/44/30/87/598443087.db2.gz KYQVGIFBBQKJDU-XTZCOPOCSA-N -1 3 363.421 3.156 20 0 FGADHM COc1ccccc1C(C)=CC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737141947 598443088 /nfs/dbraw/zinc/44/30/88/598443088.db2.gz KYQVGIFBBQKJDU-XTZCOPOCSA-N -1 3 363.421 3.156 20 0 FGADHM O=C(N[C@H](c1ccccc1)C1CCCCC1)c1ccc(-c2nnn[n-]2)cn1 ZINC000738003306 598445005 /nfs/dbraw/zinc/44/50/05/598445005.db2.gz VTNIAKORZUPIMH-GOSISDBHSA-N -1 3 362.437 3.313 20 0 FGADHM O=C(N[C@H](c1ccccc1)C1CCCCC1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738003306 598445006 /nfs/dbraw/zinc/44/50/06/598445006.db2.gz VTNIAKORZUPIMH-GOSISDBHSA-N -1 3 362.437 3.313 20 0 FGADHM O=C(c1sccc1-c1nnn[n-]1)N1CCC[C@H](c2ccccc2)CC1 ZINC000738289088 598456988 /nfs/dbraw/zinc/45/69/88/598456988.db2.gz GHLALERSTYBOQR-AWEZNQCLSA-N -1 3 353.451 3.338 20 0 FGADHM O=C(c1sccc1-c1nn[n-]n1)N1CCC[C@H](c2ccccc2)CC1 ZINC000738289088 598456989 /nfs/dbraw/zinc/45/69/89/598456989.db2.gz GHLALERSTYBOQR-AWEZNQCLSA-N -1 3 353.451 3.338 20 0 FGADHM Fc1ccc([C@@H]2CN(Cc3ccc(-c4nnn[n-]4)cc3)CCO2)cc1Cl ZINC000737652327 598461670 /nfs/dbraw/zinc/46/16/70/598461670.db2.gz WQJHZNNYRLPDKL-KRWDZBQOSA-N -1 3 373.819 3.233 20 0 FGADHM Fc1ccc([C@@H]2CN(Cc3ccc(-c4nn[n-]n4)cc3)CCO2)cc1Cl ZINC000737652327 598461673 /nfs/dbraw/zinc/46/16/73/598461673.db2.gz WQJHZNNYRLPDKL-KRWDZBQOSA-N -1 3 373.819 3.233 20 0 FGADHM O=C(Nc1ccc(Cl)nc1)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000738163375 598469076 /nfs/dbraw/zinc/46/90/76/598469076.db2.gz NMQBUBVGECHKAT-UHFFFAOYSA-N -1 3 369.816 3.112 20 0 FGADHM O=C(Nc1ccc(Cl)nc1)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000738163375 598469078 /nfs/dbraw/zinc/46/90/78/598469078.db2.gz NMQBUBVGECHKAT-UHFFFAOYSA-N -1 3 369.816 3.112 20 0 FGADHM C[C@H](OC(=O)c1cc(-c2ccccc2)[nH]n1)c1cccc(-c2nn[n-]n2)c1 ZINC000736161628 598491656 /nfs/dbraw/zinc/49/16/56/598491656.db2.gz WXCSBDCDHGGLTA-LBPRGKRZSA-N -1 3 360.377 3.175 20 0 FGADHM C[C@@H](OC(=O)[C@H](C)Oc1ccc(F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000736175599 598491769 /nfs/dbraw/zinc/49/17/69/598491769.db2.gz QNKGTBIORJWMEF-NEPJUHHUSA-N -1 3 356.357 3.078 20 0 FGADHM C[C@@H](OC(=O)[C@H](C)Oc1ccc(F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000736175599 598491770 /nfs/dbraw/zinc/49/17/70/598491770.db2.gz QNKGTBIORJWMEF-NEPJUHHUSA-N -1 3 356.357 3.078 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C[C@H]1CCCc2ccccc21 ZINC000737056372 598494931 /nfs/dbraw/zinc/49/49/31/598494931.db2.gz DBZBSJLBPMLZMZ-CQSZACIVSA-N -1 3 363.421 3.324 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C[C@H]1CCCc2ccccc21 ZINC000737056372 598494932 /nfs/dbraw/zinc/49/49/32/598494932.db2.gz DBZBSJLBPMLZMZ-CQSZACIVSA-N -1 3 363.421 3.324 20 0 FGADHM CC[C@H]1CCCN1C(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000736400709 598501031 /nfs/dbraw/zinc/50/10/31/598501031.db2.gz ARIJWFQTQKAAJS-ZDUSSCGKSA-N -1 3 367.409 3.053 20 0 FGADHM CC[C@H]1CCCN1C(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000736400709 598501033 /nfs/dbraw/zinc/50/10/33/598501033.db2.gz ARIJWFQTQKAAJS-ZDUSSCGKSA-N -1 3 367.409 3.053 20 0 FGADHM Cc1cccc(N2CCN(c3ccc(Cl)cc3-c3nnn[n-]3)CC2)c1 ZINC000737399571 598508531 /nfs/dbraw/zinc/50/85/31/598508531.db2.gz MUHKGZWIPWNQNY-UHFFFAOYSA-N -1 3 354.845 3.155 20 0 FGADHM Cc1cccc(N2CCN(c3ccc(Cl)cc3-c3nn[n-]n3)CC2)c1 ZINC000737399571 598508532 /nfs/dbraw/zinc/50/85/32/598508532.db2.gz MUHKGZWIPWNQNY-UHFFFAOYSA-N -1 3 354.845 3.155 20 0 FGADHM O[C@H](CNc1ccc(Cl)cc1-c1nnn[n-]1)c1ccc(Cl)cc1 ZINC000738383718 598509018 /nfs/dbraw/zinc/50/90/18/598509018.db2.gz PNJOPIFFXPUUQF-CQSZACIVSA-N -1 3 350.209 3.319 20 0 FGADHM O[C@H](CNc1ccc(Cl)cc1-c1nn[n-]n1)c1ccc(Cl)cc1 ZINC000738383718 598509021 /nfs/dbraw/zinc/50/90/21/598509021.db2.gz PNJOPIFFXPUUQF-CQSZACIVSA-N -1 3 350.209 3.319 20 0 FGADHM O=C(NC1CC1)[C@H](Sc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1 ZINC000738022754 598514828 /nfs/dbraw/zinc/51/48/28/598514828.db2.gz SLNVPYHEQHXVJP-MRXNPFEDSA-N -1 3 369.425 3.118 20 0 FGADHM O=C(NC1CC1)[C@H](Sc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1 ZINC000738022754 598514829 /nfs/dbraw/zinc/51/48/29/598514829.db2.gz SLNVPYHEQHXVJP-MRXNPFEDSA-N -1 3 369.425 3.118 20 0 FGADHM CCC[C@@H](Cc1ccccc1)NC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000736427122 598527508 /nfs/dbraw/zinc/52/75/08/598527508.db2.gz UBHMACNWDJNUMF-SFHVURJKSA-N -1 3 364.453 3.077 20 0 FGADHM CCC[C@@H](Cc1ccccc1)NC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000736427122 598527509 /nfs/dbraw/zinc/52/75/09/598527509.db2.gz UBHMACNWDJNUMF-SFHVURJKSA-N -1 3 364.453 3.077 20 0 FGADHM O=C(NCCCCCc1ccccc1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000738054644 598527821 /nfs/dbraw/zinc/52/78/21/598527821.db2.gz RATRWAAGIHWSPY-UHFFFAOYSA-N -1 3 350.426 3.401 20 0 FGADHM O=C(NCCCCCc1ccccc1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000738054644 598527823 /nfs/dbraw/zinc/52/78/23/598527823.db2.gz RATRWAAGIHWSPY-UHFFFAOYSA-N -1 3 350.426 3.401 20 0 FGADHM Cc1cc(Oc2ccc(-c3nnn[n-]3)cc2)ccc1NC(=O)N[C@H]1C[C@H]1C ZINC000737278608 598533316 /nfs/dbraw/zinc/53/33/16/598533316.db2.gz BXRGWKSIDFULLB-PXAZEXFGSA-N -1 3 364.409 3.497 20 0 FGADHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1NC(=O)N[C@H]1C[C@H]1C ZINC000737278608 598533317 /nfs/dbraw/zinc/53/33/17/598533317.db2.gz BXRGWKSIDFULLB-PXAZEXFGSA-N -1 3 364.409 3.497 20 0 FGADHM c1ccc2[nH]c(-c3ccc(CNc4ncccc4-c4nnn[n-]4)cc3)nc2c1 ZINC000738446352 598538530 /nfs/dbraw/zinc/53/85/30/598538530.db2.gz WRBQOXQEUWMDJT-UHFFFAOYSA-N -1 3 368.404 3.417 20 0 FGADHM c1ccc2[nH]c(-c3ccc(CNc4ncccc4-c4nn[n-]n4)cc3)nc2c1 ZINC000738446352 598538532 /nfs/dbraw/zinc/53/85/32/598538532.db2.gz WRBQOXQEUWMDJT-UHFFFAOYSA-N -1 3 368.404 3.417 20 0 FGADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)Cc1cc(C)ccc1C ZINC000737027020 598539511 /nfs/dbraw/zinc/53/95/11/598539511.db2.gz XJCYVASVASUZMP-UHFFFAOYSA-N -1 3 372.812 3.294 20 0 FGADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)Cc1cc(C)ccc1C ZINC000737027020 598539512 /nfs/dbraw/zinc/53/95/12/598539512.db2.gz XJCYVASVASUZMP-UHFFFAOYSA-N -1 3 372.812 3.294 20 0 FGADHM O=C(Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1)c1ccccn1 ZINC000738171570 598544706 /nfs/dbraw/zinc/54/47/06/598544706.db2.gz GHXBRYWFEZZTAI-UHFFFAOYSA-N -1 3 372.388 3.093 20 0 FGADHM O=C(Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1)c1ccccn1 ZINC000738171570 598544707 /nfs/dbraw/zinc/54/47/07/598544707.db2.gz GHXBRYWFEZZTAI-UHFFFAOYSA-N -1 3 372.388 3.093 20 0 FGADHM CCN(C(=O)c1sccc1-c1nnn[n-]1)[C@H](C)Cc1ccc(OC)cc1 ZINC000736509625 598555063 /nfs/dbraw/zinc/55/50/63/598555063.db2.gz YESLUNLLKWLGIG-GFCCVEGCSA-N -1 3 371.466 3.030 20 0 FGADHM CCN(C(=O)c1sccc1-c1nn[n-]n1)[C@H](C)Cc1ccc(OC)cc1 ZINC000736509625 598555064 /nfs/dbraw/zinc/55/50/64/598555064.db2.gz YESLUNLLKWLGIG-GFCCVEGCSA-N -1 3 371.466 3.030 20 0 FGADHM C[C@H]1C[C@H]1NC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736235122 598565280 /nfs/dbraw/zinc/56/52/80/598565280.db2.gz DEZZKINGTQHYLW-MEDUHNTESA-N -1 3 350.382 3.189 20 0 FGADHM C[C@H]1C[C@H]1NC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736235122 598565281 /nfs/dbraw/zinc/56/52/81/598565281.db2.gz DEZZKINGTQHYLW-MEDUHNTESA-N -1 3 350.382 3.189 20 0 FGADHM FC(F)(F)c1cccc(CNc2nc3ccccn3c2-c2nnn[n-]2)c1 ZINC000737635420 598566581 /nfs/dbraw/zinc/56/65/81/598566581.db2.gz FHSGLZAJOXCMSL-UHFFFAOYSA-N -1 3 359.315 3.145 20 0 FGADHM FC(F)(F)c1cccc(CNc2nc3ccccn3c2-c2nn[n-]n2)c1 ZINC000737635420 598566582 /nfs/dbraw/zinc/56/65/82/598566582.db2.gz FHSGLZAJOXCMSL-UHFFFAOYSA-N -1 3 359.315 3.145 20 0 FGADHM Cc1oc(-c2cccs2)nc1C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000737545998 598573589 /nfs/dbraw/zinc/57/35/89/598573589.db2.gz AYSINSCHTIFYQR-UHFFFAOYSA-N -1 3 352.379 3.144 20 0 FGADHM Cc1oc(-c2cccs2)nc1C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000737545998 598573591 /nfs/dbraw/zinc/57/35/91/598573591.db2.gz AYSINSCHTIFYQR-UHFFFAOYSA-N -1 3 352.379 3.144 20 0 FGADHM FC(F)(F)c1cc(NCc2ccc3c(c2)CCO3)ccc1-c1nnn[n-]1 ZINC000737633821 598579820 /nfs/dbraw/zinc/57/98/20/598579820.db2.gz WKFDKCONWOFCOU-UHFFFAOYSA-N -1 3 361.327 3.433 20 0 FGADHM FC(F)(F)c1cc(NCc2ccc3c(c2)CCO3)ccc1-c1nn[n-]n1 ZINC000737633821 598579821 /nfs/dbraw/zinc/57/98/21/598579821.db2.gz WKFDKCONWOFCOU-UHFFFAOYSA-N -1 3 361.327 3.433 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)C1(c2ccc(Cl)cc2)CC1 ZINC000738162243 598591676 /nfs/dbraw/zinc/59/16/76/598591676.db2.gz KNSDQWFHZNVYRC-UHFFFAOYSA-N -1 3 357.776 3.330 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)C1(c2ccc(Cl)cc2)CC1 ZINC000738162243 598591678 /nfs/dbraw/zinc/59/16/78/598591678.db2.gz KNSDQWFHZNVYRC-UHFFFAOYSA-N -1 3 357.776 3.330 20 0 FGADHM Cc1nn(C)c(Cl)c1CSCc1ccc(-c2nnn[n-]2)cc1F ZINC000737510381 598596903 /nfs/dbraw/zinc/59/69/03/598596903.db2.gz DGYBQWIJBMTFAC-UHFFFAOYSA-N -1 3 352.826 3.135 20 0 FGADHM Cc1nn(C)c(Cl)c1CSCc1ccc(-c2nn[n-]n2)cc1F ZINC000737510381 598596905 /nfs/dbraw/zinc/59/69/05/598596905.db2.gz DGYBQWIJBMTFAC-UHFFFAOYSA-N -1 3 352.826 3.135 20 0 FGADHM CSCc1cccc(NC(=O)NCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737188087 598601668 /nfs/dbraw/zinc/60/16/68/598601668.db2.gz YGLJEISBYCJIAK-UHFFFAOYSA-N -1 3 354.439 3.051 20 0 FGADHM CSCc1cccc(NC(=O)NCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737188087 598601669 /nfs/dbraw/zinc/60/16/69/598601669.db2.gz YGLJEISBYCJIAK-UHFFFAOYSA-N -1 3 354.439 3.051 20 0 FGADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)c1nc(-c2ccc(F)cc2)no1 ZINC000736188368 598606696 /nfs/dbraw/zinc/60/66/96/598606696.db2.gz MXGQFQPJTRSVRX-JTQLQIEISA-N -1 3 352.329 3.196 20 0 FGADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)c1nc(-c2ccc(F)cc2)no1 ZINC000736188368 598606698 /nfs/dbraw/zinc/60/66/98/598606698.db2.gz MXGQFQPJTRSVRX-JTQLQIEISA-N -1 3 352.329 3.196 20 0 FGADHM Cc1ccccc1CC(C)(C)NC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000737425569 598607909 /nfs/dbraw/zinc/60/79/09/598607909.db2.gz ALMDYUKLYRTXIN-UHFFFAOYSA-N -1 3 350.426 3.318 20 0 FGADHM Cc1ccccc1CC(C)(C)NC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000737425569 598607911 /nfs/dbraw/zinc/60/79/11/598607911.db2.gz ALMDYUKLYRTXIN-UHFFFAOYSA-N -1 3 350.426 3.318 20 0 FGADHM CCC[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000736435531 598608523 /nfs/dbraw/zinc/60/85/23/598608523.db2.gz MOWYKICDRHQIOQ-JJRVBVJISA-N -1 3 357.458 3.109 20 0 FGADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)c1nc(Cc2cccs2)no1 ZINC000736170135 598608663 /nfs/dbraw/zinc/60/86/63/598608663.db2.gz RVMSLJUWAXXOPL-SNVBAGLBSA-N -1 3 354.395 3.042 20 0 FGADHM CCCC[C@H](Cc1ccccn1)OC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736439246 598637376 /nfs/dbraw/zinc/63/73/76/598637376.db2.gz TZDAZWVNHCONRM-QGZVFWFLSA-N -1 3 351.410 3.220 20 0 FGADHM CCCC[C@H](Cc1ccccn1)OC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736439246 598637378 /nfs/dbraw/zinc/63/73/78/598637378.db2.gz TZDAZWVNHCONRM-QGZVFWFLSA-N -1 3 351.410 3.220 20 0 FGADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)NCCC1=CCCCC1 ZINC000737833508 598645794 /nfs/dbraw/zinc/64/57/94/598645794.db2.gz UWYGKJVYGZVQLP-UHFFFAOYSA-N -1 3 369.469 3.423 20 0 FGADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)NCCC1=CCCCC1 ZINC000737833508 598645795 /nfs/dbraw/zinc/64/57/95/598645795.db2.gz UWYGKJVYGZVQLP-UHFFFAOYSA-N -1 3 369.469 3.423 20 0 FGADHM Cc1ccc(CNC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737343341 598646828 /nfs/dbraw/zinc/64/68/28/598646828.db2.gz VMLBWQKWAQVESQ-UHFFFAOYSA-N -1 3 365.437 3.041 20 0 FGADHM Cc1ccc(CNC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737343341 598646830 /nfs/dbraw/zinc/64/68/30/598646830.db2.gz VMLBWQKWAQVESQ-UHFFFAOYSA-N -1 3 365.437 3.041 20 0 FGADHM Cc1ccc2c(c1)CCCN2C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000737376030 598649130 /nfs/dbraw/zinc/64/91/30/598649130.db2.gz GUYAEJWBBXIMEX-UHFFFAOYSA-N -1 3 365.462 3.247 20 0 FGADHM Cc1ccc2c(c1)CCCN2C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000737376030 598649132 /nfs/dbraw/zinc/64/91/32/598649132.db2.gz GUYAEJWBBXIMEX-UHFFFAOYSA-N -1 3 365.462 3.247 20 0 FGADHM CC(=CC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1)c1cccc(F)c1 ZINC000735448008 598649325 /nfs/dbraw/zinc/64/93/25/598649325.db2.gz HAUMXDYIDKMYHU-UKTHLTGXSA-N -1 3 351.385 3.068 20 0 FGADHM CC(=CC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1)c1cccc(F)c1 ZINC000735448008 598649327 /nfs/dbraw/zinc/64/93/27/598649327.db2.gz HAUMXDYIDKMYHU-UKTHLTGXSA-N -1 3 351.385 3.068 20 0 FGADHM C[C@@H](CSc1ccccc1)C(=O)N(C)c1cccc(-c2nnn[n-]2)c1 ZINC000736047557 598654302 /nfs/dbraw/zinc/65/43/02/598654302.db2.gz RPYZBISDZCEWSE-ZDUSSCGKSA-N -1 3 353.451 3.258 20 0 FGADHM C[C@@H](CSc1ccccc1)C(=O)N(C)c1cccc(-c2nn[n-]n2)c1 ZINC000736047557 598654304 /nfs/dbraw/zinc/65/43/04/598654304.db2.gz RPYZBISDZCEWSE-ZDUSSCGKSA-N -1 3 353.451 3.258 20 0 FGADHM CC1CCC(CNC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736236402 598654631 /nfs/dbraw/zinc/65/46/31/598654631.db2.gz JIJPCCLSAWGTER-UHFFFAOYSA-N -1 3 371.485 3.358 20 0 FGADHM CC1CCC(CNC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736236402 598654633 /nfs/dbraw/zinc/65/46/33/598654633.db2.gz JIJPCCLSAWGTER-UHFFFAOYSA-N -1 3 371.485 3.358 20 0 FGADHM CCCC1CCC(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736436264 598654927 /nfs/dbraw/zinc/65/49/27/598654927.db2.gz QBVBMVDSUHTYCM-UHFFFAOYSA-N -1 3 359.499 3.434 20 0 FGADHM CCCC1CCC(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736436264 598654929 /nfs/dbraw/zinc/65/49/29/598654929.db2.gz QBVBMVDSUHTYCM-UHFFFAOYSA-N -1 3 359.499 3.434 20 0 FGADHM Cc1cccc(N(C)C(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737396334 598658021 /nfs/dbraw/zinc/65/80/21/598658021.db2.gz IABIEZROLSLGBW-UHFFFAOYSA-N -1 3 365.437 3.387 20 0 FGADHM Cc1cccc(N(C)C(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737396334 598658022 /nfs/dbraw/zinc/65/80/22/598658022.db2.gz IABIEZROLSLGBW-UHFFFAOYSA-N -1 3 365.437 3.387 20 0 FGADHM CN(C(=O)c1cccc(-c2nnn[n-]2)c1)[C@H](c1ccccc1)C(F)(F)F ZINC000736741274 598662329 /nfs/dbraw/zinc/66/23/29/598662329.db2.gz DSKKVGPYNLNLSC-CQSZACIVSA-N -1 3 361.327 3.242 20 0 FGADHM CN(C(=O)c1cccc(-c2nn[n-]n2)c1)[C@H](c1ccccc1)C(F)(F)F ZINC000736741274 598662331 /nfs/dbraw/zinc/66/23/31/598662331.db2.gz DSKKVGPYNLNLSC-CQSZACIVSA-N -1 3 361.327 3.242 20 0 FGADHM O[C@H](CNc1ccc(-c2nn[n-]n2)cc1F)c1ccc(Cl)cc1Cl ZINC000738385142 598679154 /nfs/dbraw/zinc/67/91/54/598679154.db2.gz WCSIRFMVWFJWRQ-CQSZACIVSA-N -1 3 368.199 3.458 20 0 FGADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)Nc1cccnc1Cl ZINC000737832191 598684189 /nfs/dbraw/zinc/68/41/89/598684189.db2.gz FODXMCWMRGIHKE-UHFFFAOYSA-N -1 3 372.816 3.103 20 0 FGADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)Nc1cccnc1Cl ZINC000737832191 598684191 /nfs/dbraw/zinc/68/41/91/598684191.db2.gz FODXMCWMRGIHKE-UHFFFAOYSA-N -1 3 372.816 3.103 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)c1ccccc1C(F)(F)F ZINC000738236102 598704459 /nfs/dbraw/zinc/70/44/59/598704459.db2.gz SLKSOIPNQHECOD-UHFFFAOYSA-N -1 3 366.274 3.382 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)c1ccccc1C(F)(F)F ZINC000738236102 598704461 /nfs/dbraw/zinc/70/44/61/598704461.db2.gz SLKSOIPNQHECOD-UHFFFAOYSA-N -1 3 366.274 3.382 20 0 FGADHM COc1cc(Cl)ccc1C(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737047330 598709763 /nfs/dbraw/zinc/70/97/63/598709763.db2.gz LUQWAOFVHAKLOV-UHFFFAOYSA-N -1 3 362.748 3.025 20 0 FGADHM COc1cc(Cl)ccc1C(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737047330 598709765 /nfs/dbraw/zinc/70/97/65/598709765.db2.gz LUQWAOFVHAKLOV-UHFFFAOYSA-N -1 3 362.748 3.025 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CC[C@@H](c2ccco2)C1 ZINC000738151621 598728162 /nfs/dbraw/zinc/72/81/62/598728162.db2.gz JVEOWQBDBUINQF-SNVBAGLBSA-N -1 3 358.789 3.135 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CC[C@@H](c2ccco2)C1 ZINC000738151621 598728164 /nfs/dbraw/zinc/72/81/64/598728164.db2.gz JVEOWQBDBUINQF-SNVBAGLBSA-N -1 3 358.789 3.135 20 0 FGADHM CCS[C@@H]1CCCCN(C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)C1 ZINC000736663766 598750461 /nfs/dbraw/zinc/75/04/61/598750461.db2.gz HDZCBBGPZMGLTK-CQSZACIVSA-N -1 3 360.487 3.315 20 0 FGADHM CCS[C@@H]1CCCCN(C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)C1 ZINC000736663766 598750462 /nfs/dbraw/zinc/75/04/62/598750462.db2.gz HDZCBBGPZMGLTK-CQSZACIVSA-N -1 3 360.487 3.315 20 0 FGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)NC1(c2ccc(Cl)cc2)CC1 ZINC000738101674 598761304 /nfs/dbraw/zinc/76/13/04/598761304.db2.gz KFEQUDUPOUCNKA-UHFFFAOYSA-N -1 3 368.828 3.009 20 0 FGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)NC1(c2ccc(Cl)cc2)CC1 ZINC000738101674 598761305 /nfs/dbraw/zinc/76/13/05/598761305.db2.gz KFEQUDUPOUCNKA-UHFFFAOYSA-N -1 3 368.828 3.009 20 0 FGADHM CCN(C(=O)C=Cc1cnc(C)s1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736503699 598763279 /nfs/dbraw/zinc/76/32/79/598763279.db2.gz ZTJWWJRRYWLKDL-VMPCVLLUSA-N -1 3 368.466 3.255 20 0 FGADHM CCN(C(=O)C=Cc1cnc(C)s1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736503699 598763280 /nfs/dbraw/zinc/76/32/80/598763280.db2.gz ZTJWWJRRYWLKDL-VMPCVLLUSA-N -1 3 368.466 3.255 20 0 FGADHM CC[C@H](Cc1ccccc1)C(=O)OCc1cc(-c2nnn[n-]2)ccc1F ZINC000736353795 598779126 /nfs/dbraw/zinc/77/91/26/598779126.db2.gz YKNBFJQYJWVJSQ-CQSZACIVSA-N -1 3 354.385 3.318 20 0 FGADHM CC[C@H](Cc1ccccc1)C(=O)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000736353795 598779128 /nfs/dbraw/zinc/77/91/28/598779128.db2.gz YKNBFJQYJWVJSQ-CQSZACIVSA-N -1 3 354.385 3.318 20 0 FGADHM CCN(C)C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2OC)cc1 ZINC000736510337 598788625 /nfs/dbraw/zinc/78/86/25/598788625.db2.gz UWZDTTRLRYJZPI-UHFFFAOYSA-N -1 3 368.397 3.151 20 0 FGADHM CCN(C)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2OC)cc1 ZINC000736510337 598788627 /nfs/dbraw/zinc/78/86/27/598788627.db2.gz UWZDTTRLRYJZPI-UHFFFAOYSA-N -1 3 368.397 3.151 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)CO[C@H]1CCC[C@@H](C)C1 ZINC000736480013 598789789 /nfs/dbraw/zinc/78/97/89/598789789.db2.gz PFBYVLSUVXVJJA-QAPCUYQASA-N -1 3 371.485 3.201 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)CO[C@H]1CCC[C@@H](C)C1 ZINC000736480013 598789790 /nfs/dbraw/zinc/78/97/90/598789790.db2.gz PFBYVLSUVXVJJA-QAPCUYQASA-N -1 3 371.485 3.201 20 0 FGADHM CC(C)(CCCc1ccccc1)C(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000735664653 598790841 /nfs/dbraw/zinc/79/08/41/598790841.db2.gz MVJRAFSWUPIUEF-UHFFFAOYSA-N -1 3 350.426 3.249 20 0 FGADHM CC(C)(CCCc1ccccc1)C(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000735664653 598790843 /nfs/dbraw/zinc/79/08/43/598790843.db2.gz MVJRAFSWUPIUEF-UHFFFAOYSA-N -1 3 350.426 3.249 20 0 FGADHM CCc1c(C)sc(NC(=O)[C@@H]2CCc3ccccc32)c1-c1nnn[n-]1 ZINC000736672089 598791220 /nfs/dbraw/zinc/79/12/20/598791220.db2.gz XYOCCEXYBXWDGZ-CQSZACIVSA-N -1 3 353.451 3.468 20 0 FGADHM CCc1c(C)sc(NC(=O)[C@@H]2CCc3ccccc32)c1-c1nn[n-]n1 ZINC000736672089 598791221 /nfs/dbraw/zinc/79/12/21/598791221.db2.gz XYOCCEXYBXWDGZ-CQSZACIVSA-N -1 3 353.451 3.468 20 0 FGADHM FC(F)(F)CO[C@H]1CCCN(c2ccc(Cl)cc2-c2nnn[n-]2)C1 ZINC000737628929 598794711 /nfs/dbraw/zinc/79/47/11/598794711.db2.gz YPONCLWRSUXKJB-JTQLQIEISA-N -1 3 361.755 3.068 20 0 FGADHM FC(F)(F)CO[C@H]1CCCN(c2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC000737628929 598794712 /nfs/dbraw/zinc/79/47/12/598794712.db2.gz YPONCLWRSUXKJB-JTQLQIEISA-N -1 3 361.755 3.068 20 0 FGADHM CC(C)(Oc1cccc(Cl)c1)C(=O)OCc1cccc(-c2nnn[n-]2)c1 ZINC000735679036 598799452 /nfs/dbraw/zinc/79/94/52/598799452.db2.gz DFDLECTVHVPYEC-UHFFFAOYSA-N -1 3 372.812 3.421 20 0 FGADHM CC(C)(Oc1cccc(Cl)c1)C(=O)OCc1cccc(-c2nn[n-]n2)c1 ZINC000735679036 598799453 /nfs/dbraw/zinc/79/94/53/598799453.db2.gz DFDLECTVHVPYEC-UHFFFAOYSA-N -1 3 372.812 3.421 20 0 FGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)CO[C@H]1CCCC[C@@H]1C ZINC000736273880 598802471 /nfs/dbraw/zinc/80/24/71/598802471.db2.gz SLYINXYGOVLFCM-YJBOKZPZSA-N -1 3 371.485 3.199 20 0 FGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)CO[C@H]1CCCC[C@@H]1C ZINC000736273880 598802472 /nfs/dbraw/zinc/80/24/72/598802472.db2.gz SLYINXYGOVLFCM-YJBOKZPZSA-N -1 3 371.485 3.199 20 0 FGADHM CCc1c(C)sc(NC(=O)CO[C@H]2CCCC[C@H]2C)c1-c1nnn[n-]1 ZINC000736670406 598805344 /nfs/dbraw/zinc/80/53/44/598805344.db2.gz OXLGDOUTFWZADB-MFKMUULPSA-N -1 3 363.487 3.333 20 0 FGADHM CCc1c(C)sc(NC(=O)CO[C@H]2CCCC[C@H]2C)c1-c1nn[n-]n1 ZINC000736670406 598805345 /nfs/dbraw/zinc/80/53/45/598805345.db2.gz OXLGDOUTFWZADB-MFKMUULPSA-N -1 3 363.487 3.333 20 0 FGADHM CCC(C)(CC)NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000736312650 598806443 /nfs/dbraw/zinc/80/64/43/598806443.db2.gz FBFHIFBZXSWTDW-UHFFFAOYSA-N -1 3 366.425 3.363 20 0 FGADHM CCC(C)(CC)NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000736312650 598806444 /nfs/dbraw/zinc/80/64/44/598806444.db2.gz FBFHIFBZXSWTDW-UHFFFAOYSA-N -1 3 366.425 3.363 20 0 FGADHM C[C@@H]1CCC[C@@H](CC(=O)Nc2ccnn2-c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736247465 598807373 /nfs/dbraw/zinc/80/73/73/598807373.db2.gz DNWHDXPPFJLMSO-ZIAGYGMSSA-N -1 3 365.441 3.207 20 0 FGADHM O=C(Nc1sccc1-c1nnn[n-]1)c1ccc(-n2cccc2)c(F)c1 ZINC000738206740 598807876 /nfs/dbraw/zinc/80/78/76/598807876.db2.gz GSXAGKHWHSHNDT-UHFFFAOYSA-N -1 3 354.370 3.110 20 0 FGADHM O=C(Nc1sccc1-c1nn[n-]n1)c1ccc(-n2cccc2)c(F)c1 ZINC000738206740 598807878 /nfs/dbraw/zinc/80/78/78/598807878.db2.gz GSXAGKHWHSHNDT-UHFFFAOYSA-N -1 3 354.370 3.110 20 0 FGADHM C[C@@H]1CCCC[C@@H]1CC(=O)Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000736263620 598808847 /nfs/dbraw/zinc/80/88/47/598808847.db2.gz RNNJDYFJXITWQB-UKRRQHHQSA-N -1 3 365.441 3.207 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1CSCc1noc2c1CCCC2 ZINC000821751895 607367401 /nfs/dbraw/zinc/36/74/01/607367401.db2.gz DJFIHELKJFTLMM-UHFFFAOYSA-N -1 3 357.439 3.176 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1CSCc1noc2c1CCCC2 ZINC000821751895 607367402 /nfs/dbraw/zinc/36/74/02/607367402.db2.gz DJFIHELKJFTLMM-UHFFFAOYSA-N -1 3 357.439 3.176 20 0 FGADHM CC[C@H](CC(=O)NCCSCc1ccccc1-c1nnn[n-]1)C(C)C ZINC000736333128 598816027 /nfs/dbraw/zinc/81/60/27/598816027.db2.gz PPUJIWADMTUJAA-CQSZACIVSA-N -1 3 361.515 3.288 20 0 FGADHM CC[C@H](CC(=O)NCCSCc1ccccc1-c1nn[n-]n1)C(C)C ZINC000736333128 598816029 /nfs/dbraw/zinc/81/60/29/598816029.db2.gz PPUJIWADMTUJAA-CQSZACIVSA-N -1 3 361.515 3.288 20 0 FGADHM CC(C)(C)[C@@H]1OCCC[C@@H]1CNc1nc2c(cc1-c1nnn[n-]1)CCC2 ZINC000735597986 599305041 /nfs/dbraw/zinc/30/50/41/599305041.db2.gz VQYBQZSAUBUAJI-CZUORRHYSA-N -1 3 356.474 3.004 20 0 FGADHM CC(C)(C)[C@@H]1OCCC[C@@H]1CNc1nc2c(cc1-c1nn[n-]n1)CCC2 ZINC000735597986 599305044 /nfs/dbraw/zinc/30/50/44/599305044.db2.gz VQYBQZSAUBUAJI-CZUORRHYSA-N -1 3 356.474 3.004 20 0 FGADHM Cc1oc(-c2ccccc2)nc1CC(=O)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737547031 599308207 /nfs/dbraw/zinc/30/82/07/599308207.db2.gz HLWZWMZQFYCRLP-UHFFFAOYSA-N -1 3 374.404 3.036 20 0 FGADHM Cc1oc(-c2ccccc2)nc1CC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737547031 599308209 /nfs/dbraw/zinc/30/82/09/599308209.db2.gz HLWZWMZQFYCRLP-UHFFFAOYSA-N -1 3 374.404 3.036 20 0 FGADHM COc1cccc(-c2noc([C@@H](C)Oc3ccc(-c4nn[n-]n4)cc3)n2)c1 ZINC000821854776 599309176 /nfs/dbraw/zinc/30/91/76/599309176.db2.gz VBHHTCRINCYMPS-LLVKDONJSA-N -1 3 364.365 3.065 20 0 FGADHM CN(C(=O)CSCc1cccc(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736737350 599310832 /nfs/dbraw/zinc/31/08/32/599310832.db2.gz OLASTAZXXQQXIC-UHFFFAOYSA-N -1 3 373.869 3.416 20 0 FGADHM CN(C(=O)CSCc1cccc(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736737350 599310835 /nfs/dbraw/zinc/31/08/35/599310835.db2.gz OLASTAZXXQQXIC-UHFFFAOYSA-N -1 3 373.869 3.416 20 0 FGADHM Brc1cccc2c1CN(Cc1ccccc1-c1nn[n-]n1)CC2 ZINC000735368116 599321535 /nfs/dbraw/zinc/32/15/35/599321535.db2.gz GDDRUKKZZADSTD-UHFFFAOYSA-N -1 3 370.254 3.188 20 0 FGADHM Cc1ccc(NCCOc2cccc(-c3nnn[n-]3)c2)cc1Br ZINC000737362941 599325645 /nfs/dbraw/zinc/32/56/45/599325645.db2.gz ZBUSNFCFTMBOEU-UHFFFAOYSA-N -1 3 374.242 3.429 20 0 FGADHM Cc1ccc(NCCOc2cccc(-c3nn[n-]n3)c2)cc1Br ZINC000737362941 599325649 /nfs/dbraw/zinc/32/56/49/599325649.db2.gz ZBUSNFCFTMBOEU-UHFFFAOYSA-N -1 3 374.242 3.429 20 0 FGADHM Cc1ccccc1CNC(=O)CS[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737427782 599329393 /nfs/dbraw/zinc/32/93/93/599329393.db2.gz FACBHNDHVPRBGJ-CQSZACIVSA-N -1 3 367.478 3.286 20 0 FGADHM Cc1ccccc1CNC(=O)CS[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737427782 599329395 /nfs/dbraw/zinc/32/93/95/599329395.db2.gz FACBHNDHVPRBGJ-CQSZACIVSA-N -1 3 367.478 3.286 20 0 FGADHM Cc1cccc(CNC(=O)CS[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737394416 599331818 /nfs/dbraw/zinc/33/18/18/599331818.db2.gz SLEHHGWRJJXWSA-AWEZNQCLSA-N -1 3 367.478 3.286 20 0 FGADHM Cc1cccc(CNC(=O)CS[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737394416 599331821 /nfs/dbraw/zinc/33/18/21/599331821.db2.gz SLEHHGWRJJXWSA-AWEZNQCLSA-N -1 3 367.478 3.286 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NC[C@@H]1CCCO[C@@H]1C(C)(C)C ZINC000737294021 599338601 /nfs/dbraw/zinc/33/86/01/599338601.db2.gz JPLQSPANWCMDNE-HOCLYGCPSA-N -1 3 372.473 3.138 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NC[C@@H]1CCCO[C@@H]1C(C)(C)C ZINC000737294021 599338603 /nfs/dbraw/zinc/33/86/03/599338603.db2.gz JPLQSPANWCMDNE-HOCLYGCPSA-N -1 3 372.473 3.138 20 0 FGADHM Cc1ccc(NC(=O)[C@H](C)Sc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000822242651 599342783 /nfs/dbraw/zinc/34/27/83/599342783.db2.gz SJCXNVJLIQUCOJ-NSHDSACASA-N -1 3 357.414 3.434 20 0 FGADHM Cc1ccc(NC(=O)[C@H](C)Sc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000822242651 599342785 /nfs/dbraw/zinc/34/27/85/599342785.db2.gz SJCXNVJLIQUCOJ-NSHDSACASA-N -1 3 357.414 3.434 20 0 FGADHM C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736237136 599343478 /nfs/dbraw/zinc/34/34/78/599343478.db2.gz NMHUGGOCYVYBPX-XNRPHZJLSA-N -1 3 357.483 3.138 20 0 FGADHM C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736237136 599343480 /nfs/dbraw/zinc/34/34/80/599343480.db2.gz NMHUGGOCYVYBPX-XNRPHZJLSA-N -1 3 357.483 3.138 20 0 FGADHM O=C(Nc1ccsc1)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000738199247 599344885 /nfs/dbraw/zinc/34/48/85/599344885.db2.gz VFKUZXDOYJVPLA-UHFFFAOYSA-N -1 3 367.390 3.353 20 0 FGADHM O=C(Nc1ccsc1)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000738199247 599344889 /nfs/dbraw/zinc/34/48/89/599344889.db2.gz VFKUZXDOYJVPLA-UHFFFAOYSA-N -1 3 367.390 3.353 20 0 FGADHM COc1ccc(C)cc1NC(=O)[C@@H](C)Sc1ccccc1-c1nnn[n-]1 ZINC000821782287 599345695 /nfs/dbraw/zinc/34/56/95/599345695.db2.gz CPNVDGCXOKBCJX-GFCCVEGCSA-N -1 3 369.450 3.303 20 0 FGADHM COc1ccc(C)cc1NC(=O)[C@@H](C)Sc1ccccc1-c1nn[n-]n1 ZINC000821782287 599345698 /nfs/dbraw/zinc/34/56/98/599345698.db2.gz CPNVDGCXOKBCJX-GFCCVEGCSA-N -1 3 369.450 3.303 20 0 FGADHM CCC(C)(C)N(C)C(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000736313208 599346163 /nfs/dbraw/zinc/34/61/63/599346163.db2.gz GCPLNHGJNGRYGJ-UHFFFAOYSA-N -1 3 369.425 3.299 20 0 FGADHM CCC(C)(C)N(C)C(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000736313208 599346165 /nfs/dbraw/zinc/34/61/65/599346165.db2.gz GCPLNHGJNGRYGJ-UHFFFAOYSA-N -1 3 369.425 3.299 20 0 FGADHM Cc1nnc(Nc2cccc(NC3CCCC3)c2)c(-c2nnn[n-]2)c1C ZINC000737531396 599350186 /nfs/dbraw/zinc/35/01/86/599350186.db2.gz AJDHKDAISUNZAN-UHFFFAOYSA-N -1 3 350.430 3.372 20 0 FGADHM Cc1nnc(Nc2cccc(NC3CCCC3)c2)c(-c2nn[n-]n2)c1C ZINC000737531396 599350189 /nfs/dbraw/zinc/35/01/89/599350189.db2.gz AJDHKDAISUNZAN-UHFFFAOYSA-N -1 3 350.430 3.372 20 0 FGADHM C[C@@H](Nc1ccc(CN2CCCC2=O)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820456019 599368997 /nfs/dbraw/zinc/36/89/97/599368997.db2.gz PCEFAKDTFHJYKO-CQSZACIVSA-N -1 3 362.437 3.162 20 0 FGADHM C[C@@H](Nc1ccc(CN2CCCC2=O)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820456019 599369000 /nfs/dbraw/zinc/36/90/00/599369000.db2.gz PCEFAKDTFHJYKO-CQSZACIVSA-N -1 3 362.437 3.162 20 0 FGADHM C[C@H](CC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2)c1cccnc1 ZINC000735974887 599369068 /nfs/dbraw/zinc/36/90/68/599369068.db2.gz CYCZBASSHPRTFL-LLVKDONJSA-N -1 3 368.466 3.334 20 0 FGADHM C[C@H](CC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2)c1cccnc1 ZINC000735974887 599369071 /nfs/dbraw/zinc/36/90/71/599369071.db2.gz CYCZBASSHPRTFL-LLVKDONJSA-N -1 3 368.466 3.334 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1CNc1ccc(OC(C)C)cc1F ZINC000821737685 607371465 /nfs/dbraw/zinc/37/14/65/607371465.db2.gz ZWWMQJDZLCITBV-UHFFFAOYSA-N -1 3 357.389 3.414 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1CNc1ccc(OC(C)C)cc1F ZINC000821737685 607371467 /nfs/dbraw/zinc/37/14/67/607371467.db2.gz ZWWMQJDZLCITBV-UHFFFAOYSA-N -1 3 357.389 3.414 20 0 FGADHM CO[C@H](C)C(=O)Nc1cccc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821673561 599371955 /nfs/dbraw/zinc/37/19/55/599371955.db2.gz FPBMTWHKESNMCA-CHWSQXEVSA-N -1 3 366.425 3.013 20 0 FGADHM CO[C@H](C)C(=O)Nc1cccc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821673561 599371958 /nfs/dbraw/zinc/37/19/58/599371958.db2.gz FPBMTWHKESNMCA-CHWSQXEVSA-N -1 3 366.425 3.013 20 0 FGADHM O=C(N[C@@H]1CC=CCC1)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000738023979 599381656 /nfs/dbraw/zinc/38/16/56/599381656.db2.gz WVZMZRAFYDTQHT-MRXNPFEDSA-N -1 3 361.405 3.498 20 0 FGADHM O=C(N[C@@H]1CC=CCC1)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738023979 599381659 /nfs/dbraw/zinc/38/16/59/599381659.db2.gz WVZMZRAFYDTQHT-MRXNPFEDSA-N -1 3 361.405 3.498 20 0 FGADHM C[C@@H](NCc1csc(-c2ccco2)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000820438534 599394485 /nfs/dbraw/zinc/39/44/85/599394485.db2.gz RLBBVZQSCMTACE-LLVKDONJSA-N -1 3 352.423 3.434 20 0 FGADHM O[C@@H](CNc1cc(-c2nnn[n-]2)c2ccccc2n1)c1ccc(Cl)cc1 ZINC000738381511 599403253 /nfs/dbraw/zinc/40/32/53/599403253.db2.gz HJNRDNLCFAYNKS-INIZCTEOSA-N -1 3 366.812 3.214 20 0 FGADHM O[C@@H](CNc1cc(-c2nn[n-]n2)c2ccccc2n1)c1ccc(Cl)cc1 ZINC000738381511 599403254 /nfs/dbraw/zinc/40/32/54/599403254.db2.gz HJNRDNLCFAYNKS-INIZCTEOSA-N -1 3 366.812 3.214 20 0 FGADHM CCOc1ccc(CNc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)nc1 ZINC000821422064 607374811 /nfs/dbraw/zinc/37/48/11/607374811.db2.gz LKATZXSXQQVUCB-UHFFFAOYSA-N -1 3 354.414 3.060 20 0 FGADHM CCOc1ccc(CNc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)nc1 ZINC000821422064 607374813 /nfs/dbraw/zinc/37/48/13/607374813.db2.gz LKATZXSXQQVUCB-UHFFFAOYSA-N -1 3 354.414 3.060 20 0 FGADHM Cc1ccc([C@@H](C)NC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)c(C)c1 ZINC000822229370 599418143 /nfs/dbraw/zinc/41/81/43/599418143.db2.gz SLLLCZPNCXGZIF-CYBMUJFWSA-N -1 3 368.416 3.183 20 0 FGADHM Cc1ccc([C@@H](C)NC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)c(C)c1 ZINC000822229370 599418144 /nfs/dbraw/zinc/41/81/44/599418144.db2.gz SLLLCZPNCXGZIF-CYBMUJFWSA-N -1 3 368.416 3.183 20 0 FGADHM CCc1nc(CCNc2cc(-c3nnn[n-]3)c3ccccc3n2)cs1 ZINC000736697682 599424958 /nfs/dbraw/zinc/42/49/58/599424958.db2.gz AIMMWLONOKSSGZ-UHFFFAOYSA-N -1 3 351.439 3.088 20 0 FGADHM CCc1nc(CCNc2cc(-c3nn[n-]n3)c3ccccc3n2)cs1 ZINC000736697682 599424959 /nfs/dbraw/zinc/42/49/59/599424959.db2.gz AIMMWLONOKSSGZ-UHFFFAOYSA-N -1 3 351.439 3.088 20 0 FGADHM COCCSc1ccc([C@@H](C)NCc2ccc(-c3nnn[n-]3)o2)cc1 ZINC000821694652 599428847 /nfs/dbraw/zinc/42/88/47/599428847.db2.gz WVJSITHJSUROQO-GFCCVEGCSA-N -1 3 359.455 3.049 20 0 FGADHM COc1ccc2oc([C@H](C)NCc3ccc(-c4nnn[n-]4)o3)c(C)c2c1 ZINC000821854750 599431699 /nfs/dbraw/zinc/43/16/99/599431699.db2.gz UGPGAFGGGUBPAV-NSHDSACASA-N -1 3 353.382 3.374 20 0 FGADHM COc1ccc2oc([C@H](C)NCc3ccc(-c4nn[n-]n4)o3)c(C)c2c1 ZINC000821854750 599431702 /nfs/dbraw/zinc/43/17/02/599431702.db2.gz UGPGAFGGGUBPAV-NSHDSACASA-N -1 3 353.382 3.374 20 0 FGADHM CC(C)CC[C@@H]1CCC[C@H]1NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000820073922 599432369 /nfs/dbraw/zinc/43/23/69/599432369.db2.gz XBLGOQNBISZTNS-SUMWQHHRSA-N -1 3 374.464 3.410 20 0 FGADHM CC(C)CC[C@@H]1CCC[C@H]1NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000820073922 599432370 /nfs/dbraw/zinc/43/23/70/599432370.db2.gz XBLGOQNBISZTNS-SUMWQHHRSA-N -1 3 374.464 3.410 20 0 FGADHM Cc1cc(C)cc([C@@H](C)NC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)c1 ZINC000822196222 599440492 /nfs/dbraw/zinc/44/04/92/599440492.db2.gz AIOSIQCFYLECGK-CYBMUJFWSA-N -1 3 368.416 3.183 20 0 FGADHM Cc1cc(C)cc([C@@H](C)NC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC000822196222 599440495 /nfs/dbraw/zinc/44/04/95/599440495.db2.gz AIOSIQCFYLECGK-CYBMUJFWSA-N -1 3 368.416 3.183 20 0 FGADHM C[C@H](NC(=O)N[C@@H]1C[C@@H]1C1CCCCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820356876 599447118 /nfs/dbraw/zinc/44/71/18/599447118.db2.gz BRFQFNPKTACPII-JCURWCKSSA-N -1 3 354.458 3.196 20 0 FGADHM C[C@H](NC(=O)N[C@@H]1C[C@@H]1C1CCCCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820356876 599447119 /nfs/dbraw/zinc/44/71/19/599447119.db2.gz BRFQFNPKTACPII-JCURWCKSSA-N -1 3 354.458 3.196 20 0 FGADHM Cc1nc2ccccc2n1CCCNc1ccc(F)cc1-c1nnn[n-]1 ZINC000822463038 599465788 /nfs/dbraw/zinc/46/57/88/599465788.db2.gz NLUJOUGHCDTKJX-UHFFFAOYSA-N -1 3 351.389 3.166 20 0 FGADHM Cc1nc2ccccc2n1CCCNc1ccc(F)cc1-c1nn[n-]n1 ZINC000822463038 599465790 /nfs/dbraw/zinc/46/57/90/599465790.db2.gz NLUJOUGHCDTKJX-UHFFFAOYSA-N -1 3 351.389 3.166 20 0 FGADHM O[C@H](CNc1c(Cl)cccc1-c1nnn[n-]1)c1cccc(Cl)c1 ZINC000823689842 599475506 /nfs/dbraw/zinc/47/55/06/599475506.db2.gz JWCATSHHXMSBFZ-CYBMUJFWSA-N -1 3 350.209 3.319 20 0 FGADHM O[C@H](CNc1c(Cl)cccc1-c1nn[n-]n1)c1cccc(Cl)c1 ZINC000823689842 599475507 /nfs/dbraw/zinc/47/55/07/599475507.db2.gz JWCATSHHXMSBFZ-CYBMUJFWSA-N -1 3 350.209 3.319 20 0 FGADHM C[C@@H](NC(=O)N(C)Cc1ccc(F)c(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820341654 599475692 /nfs/dbraw/zinc/47/56/92/599475692.db2.gz QZCGRZPSPOFLCK-LLVKDONJSA-N -1 3 372.379 3.048 20 0 FGADHM C[C@@H](NC(=O)N(C)Cc1ccc(F)c(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820341654 599475694 /nfs/dbraw/zinc/47/56/94/599475694.db2.gz QZCGRZPSPOFLCK-LLVKDONJSA-N -1 3 372.379 3.048 20 0 FGADHM Cc1ncc(CN(C)c2c(-c3nnn[n-]3)cnc3c(C)cc(C)cc32)s1 ZINC000822195191 599482685 /nfs/dbraw/zinc/48/26/85/599482685.db2.gz JQYGNDPVNZTUMZ-UHFFFAOYSA-N -1 3 365.466 3.433 20 0 FGADHM Cc1ncc(CN(C)c2c(-c3nn[n-]n3)cnc3c(C)cc(C)cc32)s1 ZINC000822195191 599482687 /nfs/dbraw/zinc/48/26/87/599482687.db2.gz JQYGNDPVNZTUMZ-UHFFFAOYSA-N -1 3 365.466 3.433 20 0 FGADHM Cc1ccc([C@@H]2CCCN2C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)o1 ZINC000822233097 599484935 /nfs/dbraw/zinc/48/49/35/599484935.db2.gz HWOZKPIUPOAXIQ-BBRMVZONSA-N -1 3 366.425 3.376 20 0 FGADHM Cc1ccc([C@@H]2CCCN2C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)o1 ZINC000822233097 599484936 /nfs/dbraw/zinc/48/49/36/599484936.db2.gz HWOZKPIUPOAXIQ-BBRMVZONSA-N -1 3 366.425 3.376 20 0 FGADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1CCOc2ccccc2C1 ZINC000822336227 599489036 /nfs/dbraw/zinc/48/90/36/599489036.db2.gz OOAPKNVOCFXWBZ-UHFFFAOYSA-N -1 3 358.405 3.122 20 0 FGADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N1CCOc2ccccc2C1 ZINC000822336227 599489039 /nfs/dbraw/zinc/48/90/39/599489039.db2.gz OOAPKNVOCFXWBZ-UHFFFAOYSA-N -1 3 358.405 3.122 20 0 FGADHM CN(C[C@H]1CCCCO1)c1c(-c2nnn[n-]2)cnc2ccc(Cl)cc21 ZINC000821596524 599489668 /nfs/dbraw/zinc/48/96/68/599489668.db2.gz MQUKYJXAISFARG-GFCCVEGCSA-N -1 3 358.833 3.074 20 0 FGADHM CN(C[C@H]1CCCCO1)c1c(-c2nn[n-]n2)cnc2ccc(Cl)cc21 ZINC000821596524 599489670 /nfs/dbraw/zinc/48/96/70/599489670.db2.gz MQUKYJXAISFARG-GFCCVEGCSA-N -1 3 358.833 3.074 20 0 FGADHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(NCc3ccc(F)c(F)c3)c2c1 ZINC000822196815 599495897 /nfs/dbraw/zinc/49/58/97/599495897.db2.gz XPUGGPJIJHRKNK-UHFFFAOYSA-N -1 3 366.375 3.344 20 0 FGADHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(NCc3ccc(F)c(F)c3)c2c1 ZINC000822196815 599495898 /nfs/dbraw/zinc/49/58/98/599495898.db2.gz XPUGGPJIJHRKNK-UHFFFAOYSA-N -1 3 366.375 3.344 20 0 FGADHM C[C@@H](NC(=O)[C@H](C)Oc1ccccc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000820549445 599499818 /nfs/dbraw/zinc/49/98/18/599499818.db2.gz MUPYQAOZSALEKN-NEPJUHHUSA-N -1 3 371.828 3.165 20 0 FGADHM C[C@@H](NC(=O)[C@H](C)Oc1ccccc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000820549445 599499821 /nfs/dbraw/zinc/49/98/21/599499821.db2.gz MUPYQAOZSALEKN-NEPJUHHUSA-N -1 3 371.828 3.165 20 0 FGADHM COc1ccccc1C(C)(C)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821883006 599500779 /nfs/dbraw/zinc/50/07/79/599500779.db2.gz PVSRLEYVQYZKME-CYBMUJFWSA-N -1 3 365.437 3.030 20 0 FGADHM COc1ccccc1C(C)(C)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821883006 599500782 /nfs/dbraw/zinc/50/07/82/599500782.db2.gz PVSRLEYVQYZKME-CYBMUJFWSA-N -1 3 365.437 3.030 20 0 FGADHM Cc1cc(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c(C)n1C(C)C ZINC000822169045 599505401 /nfs/dbraw/zinc/50/54/01/599505401.db2.gz XKTFEUIBRYBLHT-CYBMUJFWSA-N -1 3 352.442 3.357 20 0 FGADHM Cc1cc(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c(C)n1C(C)C ZINC000822169045 599505404 /nfs/dbraw/zinc/50/54/04/599505404.db2.gz XKTFEUIBRYBLHT-CYBMUJFWSA-N -1 3 352.442 3.357 20 0 FGADHM Clc1ccc2ncc(-c3nnn[n-]3)c(NCCCOC3CCCC3)c2c1 ZINC000822581117 599506567 /nfs/dbraw/zinc/50/65/67/599506567.db2.gz BHZMJMPHUQUZJP-UHFFFAOYSA-N -1 3 372.860 3.251 20 0 FGADHM Clc1ccc2ncc(-c3nn[n-]n3)c(NCCCOC3CCCC3)c2c1 ZINC000822581117 599506569 /nfs/dbraw/zinc/50/65/69/599506569.db2.gz BHZMJMPHUQUZJP-UHFFFAOYSA-N -1 3 372.860 3.251 20 0 FGADHM C[C@@H](NC(=O)c1c[nH]c2cc(Cl)ccc12)c1cccc(-c2nnn[n-]2)c1 ZINC000820384678 599507311 /nfs/dbraw/zinc/50/73/11/599507311.db2.gz KPHLYOKPSYCXFM-SNVBAGLBSA-N -1 3 366.812 3.492 20 0 FGADHM C[C@@H](NC(=O)c1c[nH]c2cc(Cl)ccc12)c1cccc(-c2nn[n-]n2)c1 ZINC000820384678 599507314 /nfs/dbraw/zinc/50/73/14/599507314.db2.gz KPHLYOKPSYCXFM-SNVBAGLBSA-N -1 3 366.812 3.492 20 0 FGADHM C[C@H](Nc1c(-c2nnn[n-]2)cnc2ccc(Cl)cc21)c1cccc(O)c1 ZINC000820450399 599515428 /nfs/dbraw/zinc/51/54/28/599515428.db2.gz KDNZYMLHNSOAJP-JTQLQIEISA-N -1 3 366.812 3.369 20 0 FGADHM C[C@H](Nc1c(-c2nn[n-]n2)cnc2ccc(Cl)cc21)c1cccc(O)c1 ZINC000820450399 599515429 /nfs/dbraw/zinc/51/54/29/599515429.db2.gz KDNZYMLHNSOAJP-JTQLQIEISA-N -1 3 366.812 3.369 20 0 FGADHM C[C@H](NC(=O)[C@@H]1C[C@@]12CCCc1ccccc12)c1cccc(-c2nnn[n-]2)c1 ZINC000820323742 599516770 /nfs/dbraw/zinc/51/67/70/599516770.db2.gz YUPLZXCOJXSAFF-OSGPJOMKSA-N -1 3 373.460 3.338 20 0 FGADHM C[C@H](NC(=O)[C@@H]1C[C@@]12CCCc1ccccc12)c1cccc(-c2nn[n-]n2)c1 ZINC000820323742 599516772 /nfs/dbraw/zinc/51/67/72/599516772.db2.gz YUPLZXCOJXSAFF-OSGPJOMKSA-N -1 3 373.460 3.338 20 0 FGADHM Cc1ccc([C@@H](O)CNc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)cc1 ZINC000737321196 599521020 /nfs/dbraw/zinc/52/10/20/599521020.db2.gz ZLNUDZIEPOZFDT-HNNXBMFYSA-N -1 3 363.343 3.339 20 0 FGADHM CCCN(C)c1ccc(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821087957 599522012 /nfs/dbraw/zinc/52/20/12/599522012.db2.gz IGBJYZYKFQPVHP-AWEZNQCLSA-N -1 3 364.453 3.204 20 0 FGADHM CCCN(C)c1ccc(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821087957 599522014 /nfs/dbraw/zinc/52/20/14/599522014.db2.gz IGBJYZYKFQPVHP-AWEZNQCLSA-N -1 3 364.453 3.204 20 0 FGADHM C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820397588 599525988 /nfs/dbraw/zinc/52/59/88/599525988.db2.gz QTNUWHMHEYTLJP-SNVBAGLBSA-N -1 3 361.327 3.377 20 0 FGADHM C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820397588 599525990 /nfs/dbraw/zinc/52/59/90/599525990.db2.gz QTNUWHMHEYTLJP-SNVBAGLBSA-N -1 3 361.327 3.377 20 0 FGADHM CS[C@@H](C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000821942053 599526730 /nfs/dbraw/zinc/52/67/30/599526730.db2.gz KUHTZEYWCGMGAF-BLLLJJGKSA-N -1 3 353.451 3.148 20 0 FGADHM CS[C@@H](C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000821942053 599526732 /nfs/dbraw/zinc/52/67/32/599526732.db2.gz KUHTZEYWCGMGAF-BLLLJJGKSA-N -1 3 353.451 3.148 20 0 FGADHM Cc1ccccc1[C@@H]1C[C@@H](C)N(c2nc3c(cc2-c2nnn[n-]2)CCC3)C1 ZINC000737425156 599529334 /nfs/dbraw/zinc/52/93/34/599529334.db2.gz ZOVWECSYCGCMGS-GDBMZVCRSA-N -1 3 360.465 3.441 20 0 FGADHM Cc1ccccc1[C@@H]1C[C@@H](C)N(c2nc3c(cc2-c2nn[n-]n2)CCC3)C1 ZINC000737425156 599529335 /nfs/dbraw/zinc/52/93/35/599529335.db2.gz ZOVWECSYCGCMGS-GDBMZVCRSA-N -1 3 360.465 3.441 20 0 FGADHM Cc1nc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)c(C)s1 ZINC000826323887 607782532 /nfs/dbraw/zinc/78/25/32/607782532.db2.gz WCMXUDGKVWLPTO-UHFFFAOYSA-N -1 3 360.468 3.133 20 0 FGADHM Cc1nc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)c(C)s1 ZINC000826323887 607782533 /nfs/dbraw/zinc/78/25/33/607782533.db2.gz WCMXUDGKVWLPTO-UHFFFAOYSA-N -1 3 360.468 3.133 20 0 FGADHM Cc1cccc(CSCC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000822304387 599543244 /nfs/dbraw/zinc/54/32/44/599543244.db2.gz WNYUAJGGOKYOEM-AWEZNQCLSA-N -1 3 367.478 3.286 20 0 FGADHM Cc1cccc(CSCC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000822304387 599543246 /nfs/dbraw/zinc/54/32/46/599543246.db2.gz WNYUAJGGOKYOEM-AWEZNQCLSA-N -1 3 367.478 3.286 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCC(=O)c1ccc2ccccc2c1 ZINC000826252262 607383415 /nfs/dbraw/zinc/38/34/15/607383415.db2.gz WQIWFHLLNNPRNL-UHFFFAOYSA-N -1 3 372.384 3.368 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCC(=O)c1ccc2ccccc2c1 ZINC000826252262 607383418 /nfs/dbraw/zinc/38/34/18/607383418.db2.gz WQIWFHLLNNPRNL-UHFFFAOYSA-N -1 3 372.384 3.368 20 0 FGADHM CC[C@H](C)[C@H]1CCCCN1C(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000736330281 599548150 /nfs/dbraw/zinc/54/81/50/599548150.db2.gz MEPOFLSSCJOJMJ-JJRVBVJISA-N -1 3 357.458 3.061 20 0 FGADHM CN(Cc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)[C@H]1CCc2ccccc21 ZINC000821617791 599562411 /nfs/dbraw/zinc/56/24/11/599562411.db2.gz BRADJEMEVXCJKW-KRWDZBQOSA-N -1 3 373.420 3.036 20 0 FGADHM CC(C)(C)[C@@H]1OCCC[C@H]1CNc1c(-c2nnn[n-]2)cnc2ccccc21 ZINC000819908125 599563188 /nfs/dbraw/zinc/56/31/88/599563188.db2.gz WOYLGEYNKFILPB-SCLBCKFNSA-N -1 3 366.469 3.090 20 0 FGADHM CC(C)(C)[C@@H]1OCCC[C@H]1CNc1c(-c2nn[n-]n2)cnc2ccccc21 ZINC000819908125 599563190 /nfs/dbraw/zinc/56/31/90/599563190.db2.gz WOYLGEYNKFILPB-SCLBCKFNSA-N -1 3 366.469 3.090 20 0 FGADHM O[C@H](CNc1ccc(F)cc1-c1nnn[n-]1)c1c(Cl)cccc1Cl ZINC000823690996 599571932 /nfs/dbraw/zinc/57/19/32/599571932.db2.gz ZOSWEJHLOOPQLJ-CYBMUJFWSA-N -1 3 368.199 3.458 20 0 FGADHM O[C@H](CNc1ccc(F)cc1-c1nn[n-]n1)c1c(Cl)cccc1Cl ZINC000823690996 599571933 /nfs/dbraw/zinc/57/19/33/599571933.db2.gz ZOSWEJHLOOPQLJ-CYBMUJFWSA-N -1 3 368.199 3.458 20 0 FGADHM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)N1CCC2(CCCC2)CC1 ZINC000737932591 599578992 /nfs/dbraw/zinc/57/89/92/599578992.db2.gz OFJMHVAGLMKGAN-UHFFFAOYSA-N -1 3 371.510 3.283 20 0 FGADHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)N1CCC2(CCCC2)CC1 ZINC000737932591 599578996 /nfs/dbraw/zinc/57/89/96/599578996.db2.gz OFJMHVAGLMKGAN-UHFFFAOYSA-N -1 3 371.510 3.283 20 0 FGADHM CCO[C@@H](C)c1nc(CN(C)Cc2ccccc2-c2nnn[n-]2)cs1 ZINC000821347564 599585075 /nfs/dbraw/zinc/58/50/75/599585075.db2.gz YDWMYANNKOOALC-LBPRGKRZSA-N -1 3 358.471 3.053 20 0 FGADHM CCO[C@@H](C)c1nc(CN(C)Cc2ccccc2-c2nn[n-]n2)cs1 ZINC000821347564 599585077 /nfs/dbraw/zinc/58/50/77/599585077.db2.gz YDWMYANNKOOALC-LBPRGKRZSA-N -1 3 358.471 3.053 20 0 FGADHM Cc1ccc(C[C@@H](C)N(C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737334685 599599779 /nfs/dbraw/zinc/59/97/79/599599779.db2.gz LRUAGXWEFYJJOE-CQSZACIVSA-N -1 3 350.426 3.270 20 0 FGADHM Cc1ccc(C[C@@H](C)N(C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737334685 599599781 /nfs/dbraw/zinc/59/97/81/599599781.db2.gz LRUAGXWEFYJJOE-CQSZACIVSA-N -1 3 350.426 3.270 20 0 FGADHM Cc1ccc(C[C@H](C)NC(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000737336152 599603433 /nfs/dbraw/zinc/60/34/33/599603433.db2.gz YBIKKCOQSULNPB-LBPRGKRZSA-N -1 3 370.482 3.009 20 0 FGADHM Cc1ccc(C[C@H](C)NC(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000737336152 599603434 /nfs/dbraw/zinc/60/34/34/599603434.db2.gz YBIKKCOQSULNPB-LBPRGKRZSA-N -1 3 370.482 3.009 20 0 FGADHM CC[C@H](c1ccc(F)cc1)S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736393436 599608643 /nfs/dbraw/zinc/60/86/43/599608643.db2.gz YNLDWRSDZLWNMH-MRXNPFEDSA-N -1 3 360.414 3.072 20 0 FGADHM CC[C@H](c1ccc(F)cc1)S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736393436 599608645 /nfs/dbraw/zinc/60/86/45/599608645.db2.gz YNLDWRSDZLWNMH-MRXNPFEDSA-N -1 3 360.414 3.072 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)c1cccc(F)c1Cl ZINC000821389985 599620793 /nfs/dbraw/zinc/62/07/93/599620793.db2.gz SFFQONIXSLMVNA-UHFFFAOYSA-N -1 3 362.748 3.277 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)c1cccc(F)c1Cl ZINC000821389985 599620794 /nfs/dbraw/zinc/62/07/94/599620794.db2.gz SFFQONIXSLMVNA-UHFFFAOYSA-N -1 3 362.748 3.277 20 0 FGADHM C[C@H](OC(=O)c1cnc2ccsc2c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820518844 599621574 /nfs/dbraw/zinc/62/15/74/599621574.db2.gz LVYPRBRFYFIBKK-JTQLQIEISA-N -1 3 351.391 3.394 20 0 FGADHM C[C@H](OC(=O)c1cnc2ccsc2c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820518844 599621575 /nfs/dbraw/zinc/62/15/75/599621575.db2.gz LVYPRBRFYFIBKK-JTQLQIEISA-N -1 3 351.391 3.394 20 0 FGADHM Cc1cccc2c(CCC(=O)OCc3cccc(-c4nnn[n-]4)c3)c[nH]c21 ZINC000822331292 599624058 /nfs/dbraw/zinc/62/40/58/599624058.db2.gz BXLPPWDKGKSTHQ-UHFFFAOYSA-N -1 3 361.405 3.332 20 0 FGADHM Cc1cccc2c(CCC(=O)OCc3cccc(-c4nn[n-]n4)c3)c[nH]c21 ZINC000822331292 599624059 /nfs/dbraw/zinc/62/40/59/599624059.db2.gz BXLPPWDKGKSTHQ-UHFFFAOYSA-N -1 3 361.405 3.332 20 0 FGADHM Cc1ccc([C@H]2OCCC[C@H]2C(=O)Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822233197 599628140 /nfs/dbraw/zinc/62/81/40/599628140.db2.gz JZUKLFLMSPCHIP-QZTJIDSGSA-N -1 3 364.405 3.248 20 0 FGADHM Cc1ccc([C@H]2OCCC[C@H]2C(=O)Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822233197 599628141 /nfs/dbraw/zinc/62/81/41/599628141.db2.gz JZUKLFLMSPCHIP-QZTJIDSGSA-N -1 3 364.405 3.248 20 0 FGADHM Cc1cncc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCC3)c1 ZINC000822399196 599628628 /nfs/dbraw/zinc/62/86/28/599628628.db2.gz CARKRWUQMJTEOY-UHFFFAOYSA-N -1 3 354.439 3.153 20 0 FGADHM Cc1cncc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCC3)c1 ZINC000822399196 599628629 /nfs/dbraw/zinc/62/86/29/599628629.db2.gz CARKRWUQMJTEOY-UHFFFAOYSA-N -1 3 354.439 3.153 20 0 FGADHM CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)Oc1ccc(-c2nnn[n-]2)cc1OC ZINC000820939451 599629386 /nfs/dbraw/zinc/62/93/86/599629386.db2.gz URZOOGAXBRTBJA-QEJZJMRPSA-N -1 3 374.441 3.155 20 0 FGADHM CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)Oc1ccc(-c2nn[n-]n2)cc1OC ZINC000820939451 599629387 /nfs/dbraw/zinc/62/93/87/599629387.db2.gz URZOOGAXBRTBJA-QEJZJMRPSA-N -1 3 374.441 3.155 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@@H](c1ccccc1)C(C)C ZINC000821699654 599629635 /nfs/dbraw/zinc/62/96/35/599629635.db2.gz YBNMRQFKUZGTSL-QGZVFWFLSA-N -1 3 352.394 3.221 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@@H](c1ccccc1)C(C)C ZINC000821699654 599629636 /nfs/dbraw/zinc/62/96/36/599629636.db2.gz YBNMRQFKUZGTSL-QGZVFWFLSA-N -1 3 352.394 3.221 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@]1(C)CCc2ccccc2C1 ZINC000821756025 599630807 /nfs/dbraw/zinc/63/08/07/599630807.db2.gz LTQMDHQGQAHCSY-FQEVSTJZSA-N -1 3 363.421 3.009 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@]1(C)CCc2ccccc2C1 ZINC000821756025 599630808 /nfs/dbraw/zinc/63/08/08/599630808.db2.gz LTQMDHQGQAHCSY-FQEVSTJZSA-N -1 3 363.421 3.009 20 0 FGADHM CC(C)c1cc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)on1 ZINC000820187789 599631624 /nfs/dbraw/zinc/63/16/24/599631624.db2.gz RWUMQUFLWLYGDZ-UHFFFAOYSA-N -1 3 366.303 3.249 20 0 FGADHM CC(C)c1cc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)on1 ZINC000820187789 599631625 /nfs/dbraw/zinc/63/16/25/599631625.db2.gz RWUMQUFLWLYGDZ-UHFFFAOYSA-N -1 3 366.303 3.249 20 0 FGADHM COc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cc1 ZINC000821772785 599632880 /nfs/dbraw/zinc/63/28/80/599632880.db2.gz PPLPSCJFAZHIOT-UHFFFAOYSA-N -1 3 363.299 3.146 20 0 FGADHM COc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cc1 ZINC000821772785 599632881 /nfs/dbraw/zinc/63/28/81/599632881.db2.gz PPLPSCJFAZHIOT-UHFFFAOYSA-N -1 3 363.299 3.146 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)[C@H]1CC1(Cl)Cl ZINC000823303692 599634286 /nfs/dbraw/zinc/63/42/86/599634286.db2.gz REXYCOHDMIUGKU-MRVPVSSYSA-N -1 3 366.130 3.018 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)[C@H]1CC1(Cl)Cl ZINC000823303692 599634287 /nfs/dbraw/zinc/63/42/87/599634287.db2.gz REXYCOHDMIUGKU-MRVPVSSYSA-N -1 3 366.130 3.018 20 0 FGADHM C[C@@H]1CCN(Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)c2ccccc21 ZINC000820727658 599636150 /nfs/dbraw/zinc/63/61/50/599636150.db2.gz NLXLDNQKHDMARR-CYBMUJFWSA-N -1 3 373.420 3.431 20 0 FGADHM C[C@@H]1CCN(Cc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)c2ccccc21 ZINC000820727658 599636151 /nfs/dbraw/zinc/63/61/51/599636151.db2.gz NLXLDNQKHDMARR-CYBMUJFWSA-N -1 3 373.420 3.431 20 0 FGADHM CCN(Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)c1cccc(C)c1 ZINC000821230189 599636646 /nfs/dbraw/zinc/63/66/46/599636646.db2.gz FKJLYIWNBIUATR-UHFFFAOYSA-N -1 3 361.409 3.252 20 0 FGADHM CCN(Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)c1cccc(C)c1 ZINC000821230189 599636647 /nfs/dbraw/zinc/63/66/47/599636647.db2.gz FKJLYIWNBIUATR-UHFFFAOYSA-N -1 3 361.409 3.252 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H](C)CCOc1ccccc1 ZINC000822216108 599649546 /nfs/dbraw/zinc/64/95/46/599649546.db2.gz FKDSPAYGZWIJJT-CQSZACIVSA-N -1 3 351.410 3.219 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H](C)CCOc1ccccc1 ZINC000822216108 599649547 /nfs/dbraw/zinc/64/95/47/599649547.db2.gz FKDSPAYGZWIJJT-CQSZACIVSA-N -1 3 351.410 3.219 20 0 FGADHM Cc1c2c(sc1NC(=O)COc1cccc(-c3nnn[n-]3)c1)CCCC2 ZINC000822076649 599651359 /nfs/dbraw/zinc/65/13/59/599651359.db2.gz PKLNAYBUOPSYME-UHFFFAOYSA-N -1 3 369.450 3.133 20 0 FGADHM Cc1c2c(sc1NC(=O)COc1cccc(-c3nn[n-]n3)c1)CCCC2 ZINC000822076649 599651360 /nfs/dbraw/zinc/65/13/60/599651360.db2.gz PKLNAYBUOPSYME-UHFFFAOYSA-N -1 3 369.450 3.133 20 0 FGADHM CC(C)(C)CCCC(=O)OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000819908086 599660504 /nfs/dbraw/zinc/66/05/04/599660504.db2.gz VSFZDUWRWSLVDB-UHFFFAOYSA-N -1 3 370.413 3.176 20 0 FGADHM CC(C)(C)CCCC(=O)OCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000819908086 599660505 /nfs/dbraw/zinc/66/05/05/599660505.db2.gz VSFZDUWRWSLVDB-UHFFFAOYSA-N -1 3 370.413 3.176 20 0 FGADHM O=C(OCCOc1ccccc1-c1nnn[n-]1)[C@H]1C[C@@H]1C1CCCCC1 ZINC000823409909 599665659 /nfs/dbraw/zinc/66/56/59/599665659.db2.gz NQQAUFNUVYWOKK-CVEARBPZSA-N -1 3 356.426 3.005 20 0 FGADHM O=C(OCCOc1ccccc1-c1nn[n-]n1)[C@H]1C[C@@H]1C1CCCCC1 ZINC000823409909 599665660 /nfs/dbraw/zinc/66/56/60/599665660.db2.gz NQQAUFNUVYWOKK-CVEARBPZSA-N -1 3 356.426 3.005 20 0 FGADHM C[C@H]1CCN(C(=O)NCc2cccc(-c3nnn[n-]3)c2)[C@@H](c2ccco2)C1 ZINC000820717296 599667910 /nfs/dbraw/zinc/66/79/10/599667910.db2.gz PAXIRGPPQMDHSW-XJKSGUPXSA-N -1 3 366.425 3.143 20 0 FGADHM C[C@H]1CCN(C(=O)NCc2cccc(-c3nn[n-]n3)c2)[C@@H](c2ccco2)C1 ZINC000820717296 599667911 /nfs/dbraw/zinc/66/79/11/599667911.db2.gz PAXIRGPPQMDHSW-XJKSGUPXSA-N -1 3 366.425 3.143 20 0 FGADHM C[C@]1(C(=O)OCc2ccc(F)cc2-c2nnn[n-]2)CCc2ccccc2C1 ZINC000820578232 599671357 /nfs/dbraw/zinc/67/13/57/599671357.db2.gz YOKUJEXXKRGDFL-FQEVSTJZSA-N -1 3 366.396 3.244 20 0 FGADHM C[C@]1(C(=O)OCc2ccc(F)cc2-c2nn[n-]n2)CCc2ccccc2C1 ZINC000820578232 599671358 /nfs/dbraw/zinc/67/13/58/599671358.db2.gz YOKUJEXXKRGDFL-FQEVSTJZSA-N -1 3 366.396 3.244 20 0 FGADHM C[C@@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)c1cccc(-n2cccn2)c1 ZINC000820461076 599687080 /nfs/dbraw/zinc/68/70/80/599687080.db2.gz DWIXVEUWKQWFOZ-LLVKDONJSA-N -1 3 366.816 3.274 20 0 FGADHM C[C@@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)c1cccc(-n2cccn2)c1 ZINC000820461076 599687081 /nfs/dbraw/zinc/68/70/81/599687081.db2.gz DWIXVEUWKQWFOZ-LLVKDONJSA-N -1 3 366.816 3.274 20 0 FGADHM CC(C)CO[C@@H](C)c1noc(CSCc2cccc(-c3nnn[n-]3)c2)n1 ZINC000820096929 599691395 /nfs/dbraw/zinc/69/13/95/599691395.db2.gz INWKXLVQPNPOJD-LBPRGKRZSA-N -1 3 374.470 3.417 20 0 FGADHM CC(C)CO[C@@H](C)c1noc(CSCc2cccc(-c3nn[n-]n3)c2)n1 ZINC000820096929 599691396 /nfs/dbraw/zinc/69/13/96/599691396.db2.gz INWKXLVQPNPOJD-LBPRGKRZSA-N -1 3 374.470 3.417 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)O[C@H](C)c1ncc(C(C)(C)C)o1 ZINC000826251514 607387548 /nfs/dbraw/zinc/38/75/48/607387548.db2.gz RSUHOGOLRLJIDL-LLVKDONJSA-N -1 3 355.398 3.379 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)O[C@H](C)c1ncc(C(C)(C)C)o1 ZINC000826251514 607387550 /nfs/dbraw/zinc/38/75/50/607387550.db2.gz RSUHOGOLRLJIDL-LLVKDONJSA-N -1 3 355.398 3.379 20 0 FGADHM CCCC[C@H](C(=O)[O-])N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000736977356 599706727 /nfs/dbraw/zinc/70/67/27/599706727.db2.gz AMDINAOQFLWXMX-CQSZACIVSA-N -1 3 373.280 3.395 20 0 FGADHM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000826316317 607391134 /nfs/dbraw/zinc/39/11/34/607391134.db2.gz KHIITPRSMRPQTI-KGLIPLIRSA-N -1 3 358.398 3.223 20 0 FGADHM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000826316317 607391136 /nfs/dbraw/zinc/39/11/36/607391136.db2.gz KHIITPRSMRPQTI-KGLIPLIRSA-N -1 3 358.398 3.223 20 0 FGADHM CC(C)c1ccc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCC3)cn1 ZINC000820192425 607391920 /nfs/dbraw/zinc/39/19/20/607391920.db2.gz NGSUVEQSUKDWCE-UHFFFAOYSA-N -1 3 354.439 3.188 20 0 FGADHM CC(C)c1ccc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)cn1 ZINC000820192425 607391922 /nfs/dbraw/zinc/39/19/22/607391922.db2.gz NGSUVEQSUKDWCE-UHFFFAOYSA-N -1 3 354.439 3.188 20 0 FGADHM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000736719865 599771300 /nfs/dbraw/zinc/77/13/00/599771300.db2.gz ZLSGELKXLMIKMF-LBPRGKRZSA-N -1 3 368.393 3.363 20 0 FGADHM Cc1cncc(C=CC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(C)C)c1 ZINC000822400064 607394527 /nfs/dbraw/zinc/39/45/27/607394527.db2.gz VMDOPVNJBRAPHH-QPJJXVBHSA-N -1 3 364.409 3.009 20 0 FGADHM CC(=O)c1ccc(C(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)s1 ZINC000819832859 607396228 /nfs/dbraw/zinc/39/62/28/607396228.db2.gz BVSJEWQJZURVKO-UHFFFAOYSA-N -1 3 371.422 3.170 20 0 FGADHM CC(=O)c1ccc(C(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)s1 ZINC000819832859 607396230 /nfs/dbraw/zinc/39/62/30/607396230.db2.gz BVSJEWQJZURVKO-UHFFFAOYSA-N -1 3 371.422 3.170 20 0 FGADHM CCOc1ccc(C(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)cc1 ZINC000821416710 607399077 /nfs/dbraw/zinc/39/90/77/607399077.db2.gz CNVWYQJPIQUVLR-UHFFFAOYSA-N -1 3 367.409 3.305 20 0 FGADHM CCOc1ccc(C(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)cc1 ZINC000821416710 607399079 /nfs/dbraw/zinc/39/90/79/607399079.db2.gz CNVWYQJPIQUVLR-UHFFFAOYSA-N -1 3 367.409 3.305 20 0 FGADHM CC(C)Oc1ccc(NC(=O)CCc2ccc(F)cc2)cc1-c1nnn[n-]1 ZINC000820161606 607401847 /nfs/dbraw/zinc/40/18/47/607401847.db2.gz YHQXWESOYHRSAR-UHFFFAOYSA-N -1 3 369.400 3.364 20 0 FGADHM CC(C)Oc1ccc(NC(=O)CCc2ccc(F)cc2)cc1-c1nn[n-]n1 ZINC000820161606 607401849 /nfs/dbraw/zinc/40/18/49/607401849.db2.gz YHQXWESOYHRSAR-UHFFFAOYSA-N -1 3 369.400 3.364 20 0 FGADHM CC[C@H](Oc1ccccc1F)C(=O)OCc1ccc(-c2nnn[n-]2)cc1C ZINC000825159369 607402356 /nfs/dbraw/zinc/40/23/56/607402356.db2.gz OAIDYALNQLOKLN-INIZCTEOSA-N -1 3 370.384 3.215 20 0 FGADHM CC[C@H](Oc1ccccc1F)C(=O)OCc1ccc(-c2nn[n-]n2)cc1C ZINC000825159369 607402357 /nfs/dbraw/zinc/40/23/57/607402357.db2.gz OAIDYALNQLOKLN-INIZCTEOSA-N -1 3 370.384 3.215 20 0 FGADHM CC(C)Oc1ccc(NC(=O)CCc2ccccc2)cc1-c1nnn[n-]1 ZINC000820160582 607403145 /nfs/dbraw/zinc/40/31/45/607403145.db2.gz LTMYRZYZVVPJTI-UHFFFAOYSA-N -1 3 351.410 3.225 20 0 FGADHM CC(C)Oc1ccc(NC(=O)CCc2ccccc2)cc1-c1nn[n-]n1 ZINC000820160582 607403146 /nfs/dbraw/zinc/40/31/46/607403146.db2.gz LTMYRZYZVVPJTI-UHFFFAOYSA-N -1 3 351.410 3.225 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)CCCOCc1ccccc1 ZINC000826253022 607404177 /nfs/dbraw/zinc/40/41/77/607404177.db2.gz CQGHBHHVYKXBHB-UHFFFAOYSA-N -1 3 366.421 3.215 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)CCCOCc1ccccc1 ZINC000826253022 607404178 /nfs/dbraw/zinc/40/41/78/607404178.db2.gz CQGHBHHVYKXBHB-UHFFFAOYSA-N -1 3 366.421 3.215 20 0 FGADHM COc1cccc([C@H](C)C(=O)OCc2ccc(-c3nnn[n-]3)cc2C)c1 ZINC000826214299 607404410 /nfs/dbraw/zinc/40/44/10/607404410.db2.gz HIIRYAYVSIFXTC-ZDUSSCGKSA-N -1 3 352.394 3.031 20 0 FGADHM COc1cccc([C@H](C)C(=O)OCc2ccc(-c3nn[n-]n3)cc2C)c1 ZINC000826214299 607404412 /nfs/dbraw/zinc/40/44/12/607404412.db2.gz HIIRYAYVSIFXTC-ZDUSSCGKSA-N -1 3 352.394 3.031 20 0 FGADHM O=C([O-])c1ccc(CN2CCC(c3nc(-c4ccccn4)no3)CC2)cc1 ZINC000740124565 599889387 /nfs/dbraw/zinc/88/93/87/599889387.db2.gz VMSFVJKVLZKOCK-UHFFFAOYSA-N -1 3 364.405 3.209 20 0 FGADHM COc1cccc2cc(C(=O)OCc3ccc(-c4nnn[n-]4)cc3C)oc21 ZINC000826217756 607404808 /nfs/dbraw/zinc/40/48/08/607404808.db2.gz AUUSIGNFGDAWNZ-UHFFFAOYSA-N -1 3 364.361 3.287 20 0 FGADHM COc1cccc2cc(C(=O)OCc3ccc(-c4nn[n-]n4)cc3C)oc21 ZINC000826217756 607404809 /nfs/dbraw/zinc/40/48/09/607404809.db2.gz AUUSIGNFGDAWNZ-UHFFFAOYSA-N -1 3 364.361 3.287 20 0 FGADHM CCc1ccc([C@H](CNC(=O)c2cccc(NC(=O)[O-])c2)N(C)C)cc1 ZINC000737258848 599928495 /nfs/dbraw/zinc/92/84/95/599928495.db2.gz KTNKBOKYLVCUOF-SFHVURJKSA-N -1 3 355.438 3.372 20 0 FGADHM Cc1ccccc1CN1CCCN(C(=O)c2cccc(NC(=O)[O-])c2)CC1 ZINC000738770348 599931106 /nfs/dbraw/zinc/93/11/06/599931106.db2.gz HBOYSWBOFAMXIN-UHFFFAOYSA-N -1 3 367.449 3.433 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)Cc1coc2cc(F)ccc12 ZINC000826254135 607410376 /nfs/dbraw/zinc/41/03/76/607410376.db2.gz WHUURTPNZMYTKX-UHFFFAOYSA-N -1 3 366.352 3.346 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)Cc1coc2cc(F)ccc12 ZINC000826254135 607410377 /nfs/dbraw/zinc/41/03/77/607410377.db2.gz WHUURTPNZMYTKX-UHFFFAOYSA-N -1 3 366.352 3.346 20 0 FGADHM CSc1ccc(C)c(C(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)c1 ZINC000826230473 607416212 /nfs/dbraw/zinc/41/62/12/607416212.db2.gz VYWCUAANMSNEER-UHFFFAOYSA-N -1 3 365.462 3.316 20 0 FGADHM CSc1ccc(C)c(C(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)c1 ZINC000826230473 607416214 /nfs/dbraw/zinc/41/62/14/607416214.db2.gz VYWCUAANMSNEER-UHFFFAOYSA-N -1 3 365.462 3.316 20 0 FGADHM O=C(NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1cccc(C(F)(F)F)c1 ZINC000826427912 607416468 /nfs/dbraw/zinc/41/64/68/607416468.db2.gz GWWPPDUSLQASQV-UHFFFAOYSA-N -1 3 373.338 3.305 20 0 FGADHM O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1cccc(C(F)(F)F)c1 ZINC000826427912 607416469 /nfs/dbraw/zinc/41/64/69/607416469.db2.gz GWWPPDUSLQASQV-UHFFFAOYSA-N -1 3 373.338 3.305 20 0 FGADHM O=C([O-])c1ccc(CCC(=O)NC[C@@H](c2cccs2)N2CCCC2)cc1 ZINC000739256927 600060763 /nfs/dbraw/zinc/06/07/63/600060763.db2.gz QYQOMCKLQACEDV-KRWDZBQOSA-N -1 3 372.490 3.332 20 0 FGADHM COc1ccc(NC(=O)c2cccc(CN3CCCC3)c2)c(C(=O)[O-])c1 ZINC000738033406 600072220 /nfs/dbraw/zinc/07/22/20/600072220.db2.gz IXCMLQUMIYJBMV-UHFFFAOYSA-N -1 3 354.406 3.242 20 0 FGADHM CC(=O)N1CCCCC[C@@H]1C1CCN(Cc2cc(C(=O)[O-])oc2C)CC1 ZINC000736134573 600076825 /nfs/dbraw/zinc/07/68/25/600076825.db2.gz IKAYAHTXQFDCHJ-GOSISDBHSA-N -1 3 362.470 3.289 20 0 FGADHM Cc1ccc(NC(=O)C2CCN(Cc3ccc(F)cc3C(=O)[O-])CC2)nc1 ZINC000738617688 600090008 /nfs/dbraw/zinc/09/00/08/600090008.db2.gz ZXGLJMRJHURYCM-UHFFFAOYSA-N -1 3 371.412 3.078 20 0 FGADHM C[C@H](OC1CCCCCC1)C(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000824731475 607425086 /nfs/dbraw/zinc/42/50/86/607425086.db2.gz VZRYSERVRDMPNI-AWEZNQCLSA-N -1 3 369.469 3.100 20 0 FGADHM C[C@H](OC1CCCCCC1)C(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000824731475 607425087 /nfs/dbraw/zinc/42/50/87/607425087.db2.gz VZRYSERVRDMPNI-AWEZNQCLSA-N -1 3 369.469 3.100 20 0 FGADHM CC(C)Oc1ccc(NC(=O)N(C)CC2CCCC2)cc1-c1nnn[n-]1 ZINC000820165401 607429228 /nfs/dbraw/zinc/42/92/28/607429228.db2.gz PKLPILSUDFAWBL-UHFFFAOYSA-N -1 3 358.446 3.308 20 0 FGADHM CC(C)Oc1ccc(NC(=O)N(C)CC2CCCC2)cc1-c1nn[n-]n1 ZINC000820165401 607429230 /nfs/dbraw/zinc/42/92/30/607429230.db2.gz PKLPILSUDFAWBL-UHFFFAOYSA-N -1 3 358.446 3.308 20 0 FGADHM CC(C)c1cccc(OCC(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000824347946 607431168 /nfs/dbraw/zinc/43/11/68/607431168.db2.gz ULQMLPBCWRMDDW-UHFFFAOYSA-N -1 3 351.410 3.032 20 0 FGADHM CC(C)c1cccc(OCC(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000824347946 607431169 /nfs/dbraw/zinc/43/11/69/607431169.db2.gz ULQMLPBCWRMDDW-UHFFFAOYSA-N -1 3 351.410 3.032 20 0 FGADHM Cc1ccc(NC(=O)Cn2cc(C(=O)[O-])c3ccccc32)c(CN(C)C)c1 ZINC000738627031 600260733 /nfs/dbraw/zinc/26/07/33/600260733.db2.gz YKPUSWLVMTYMKN-UHFFFAOYSA-N -1 3 365.433 3.348 20 0 FGADHM CC(C)COc1cccc(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000824272388 607434472 /nfs/dbraw/zinc/43/44/72/607434472.db2.gz WUTYJYYRKKEHJE-UHFFFAOYSA-N -1 3 351.410 3.178 20 0 FGADHM CC(C)COc1cccc(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000824272388 607434474 /nfs/dbraw/zinc/43/44/74/607434474.db2.gz WUTYJYYRKKEHJE-UHFFFAOYSA-N -1 3 351.410 3.178 20 0 FGADHM CCCOc1ccc(CCC(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000825339172 607435279 /nfs/dbraw/zinc/43/52/79/607435279.db2.gz PXSOCHAWVCUUJP-UHFFFAOYSA-N -1 3 365.437 3.251 20 0 FGADHM CCCOc1ccc(CCC(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825339172 607435281 /nfs/dbraw/zinc/43/52/81/607435281.db2.gz PXSOCHAWVCUUJP-UHFFFAOYSA-N -1 3 365.437 3.251 20 0 FGADHM CCOC(=O)c1sc2cccc(F)c2c1CN(C)C[C@H](C)C(=O)[O-] ZINC000737156526 600372656 /nfs/dbraw/zinc/37/26/56/600372656.db2.gz KMEUHWMIFLTYRL-JTQLQIEISA-N -1 3 353.415 3.370 20 0 FGADHM Cc1nc(-c2ccco2)ccc1C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826323133 607441123 /nfs/dbraw/zinc/44/11/23/607441123.db2.gz RGPOPFDTOOSCJQ-UHFFFAOYSA-N -1 3 360.377 3.107 20 0 FGADHM Cc1nc(-c2ccco2)ccc1C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826323133 607441125 /nfs/dbraw/zinc/44/11/25/607441125.db2.gz RGPOPFDTOOSCJQ-UHFFFAOYSA-N -1 3 360.377 3.107 20 0 FGADHM O=C([O-])[C@@H](NCc1ccccc1CN1CCOCC1)c1cccc(Cl)c1 ZINC000739506307 600418887 /nfs/dbraw/zinc/41/88/87/600418887.db2.gz ZVVXYLUUEMVWAC-IBGZPJMESA-N -1 3 374.868 3.088 20 0 FGADHM Cc1c(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)sc2nccc(C)c12 ZINC000826314623 607442800 /nfs/dbraw/zinc/44/28/00/607442800.db2.gz GCGYJWYZVBIUEG-UHFFFAOYSA-N -1 3 364.434 3.370 20 0 FGADHM Cc1c(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)sc2nccc(C)c12 ZINC000826314623 607442802 /nfs/dbraw/zinc/44/28/02/607442802.db2.gz GCGYJWYZVBIUEG-UHFFFAOYSA-N -1 3 364.434 3.370 20 0 FGADHM O=C([O-])[C@@H](NCc1ccc(C(=O)N2CCCCC2)cc1)c1ccc(F)cc1 ZINC000739499393 600420024 /nfs/dbraw/zinc/42/00/24/600420024.db2.gz JHNBLMOIIGUTAG-IBGZPJMESA-N -1 3 370.424 3.367 20 0 FGADHM O=C([O-])[C@H](NCc1cccc(NC(=O)c2ccccn2)c1)c1ccccc1 ZINC000738508814 600426939 /nfs/dbraw/zinc/42/69/39/600426939.db2.gz AIEDDPOFRABIBJ-LJQANCHMSA-N -1 3 361.401 3.249 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(CC(F)(F)F)C1CCCC1 ZINC000826244652 607443923 /nfs/dbraw/zinc/44/39/23/607443923.db2.gz ZSQGYQXTIJEEPM-UHFFFAOYSA-N -1 3 353.348 3.122 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(CC(F)(F)F)C1CCCC1 ZINC000826244652 607443925 /nfs/dbraw/zinc/44/39/25/607443925.db2.gz ZSQGYQXTIJEEPM-UHFFFAOYSA-N -1 3 353.348 3.122 20 0 FGADHM CCC[C@@](C)(NCc1csc(-c2ccc(O)c(OC)c2)n1)C(=O)[O-] ZINC000736961868 600499724 /nfs/dbraw/zinc/49/97/24/600499724.db2.gz CBOIHZYXQZZRRQ-QGZVFWFLSA-N -1 3 350.440 3.257 20 0 FGADHM Cc1ccc(C(=O)[O-])cc1NC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000390667081 600525702 /nfs/dbraw/zinc/52/57/02/600525702.db2.gz RVYOGAWUCICGIF-SFHVURJKSA-N -1 3 367.449 3.479 20 0 FGADHM Cc1ccc2c(c1)[C@@H](NC(=O)NC1(c3cccc(-c4nnn[n-]4)c3)CC1)CC2 ZINC000826294374 607455646 /nfs/dbraw/zinc/45/56/46/607455646.db2.gz POUIBJDWQQVOCC-SFHVURJKSA-N -1 3 374.448 3.151 20 0 FGADHM Cc1ccc2c(c1)[C@@H](NC(=O)NC1(c3cccc(-c4nn[n-]n4)c3)CC1)CC2 ZINC000826294374 607455647 /nfs/dbraw/zinc/45/56/47/607455647.db2.gz POUIBJDWQQVOCC-SFHVURJKSA-N -1 3 374.448 3.151 20 0 FGADHM C[C@H]1Cc2ccccc2[C@@H]1NC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000825012181 607456802 /nfs/dbraw/zinc/45/68/02/607456802.db2.gz DVJIGKVVPPDWLJ-SCLBCKFNSA-N -1 3 374.448 3.089 20 0 FGADHM C[C@H]1Cc2ccccc2[C@@H]1NC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000825012181 607456803 /nfs/dbraw/zinc/45/68/03/607456803.db2.gz DVJIGKVVPPDWLJ-SCLBCKFNSA-N -1 3 374.448 3.089 20 0 FGADHM C[C@H](CN(Cc1ccccc1)C(=O)c1cccc(CN(C)C)c1)C(=O)[O-] ZINC000827454492 600724345 /nfs/dbraw/zinc/72/43/45/600724345.db2.gz ANUMJDNPVIQZKX-MRXNPFEDSA-N -1 3 354.450 3.111 20 0 FGADHM CCOc1ccc(-c2nc(Cn3cc(C)c(-c4nnn[n-]4)c3)co2)cc1 ZINC000821400199 607467763 /nfs/dbraw/zinc/46/77/63/607467763.db2.gz GROREORMRNDENZ-UHFFFAOYSA-N -1 3 350.382 3.079 20 0 FGADHM CCOc1ccc(-c2nc(Cn3cc(C)c(-c4nn[n-]n4)c3)co2)cc1 ZINC000821400199 607467764 /nfs/dbraw/zinc/46/77/64/607467764.db2.gz GROREORMRNDENZ-UHFFFAOYSA-N -1 3 350.382 3.079 20 0 FGADHM Cc1ccc(Cn2nccc2NCc2ccc(-c3nnn[n-]3)cc2F)s1 ZINC000822240177 607479548 /nfs/dbraw/zinc/47/95/48/607479548.db2.gz VYJNHWAJBNUJNX-UHFFFAOYSA-N -1 3 369.429 3.233 20 0 FGADHM Cc1ccc(Cn2nccc2NCc2ccc(-c3nn[n-]n3)cc2F)s1 ZINC000822240177 607479551 /nfs/dbraw/zinc/47/95/51/607479551.db2.gz VYJNHWAJBNUJNX-UHFFFAOYSA-N -1 3 369.429 3.233 20 0 FGADHM CN(C)c1ccccc1CN[C@@H](C(=O)[O-])c1ccc(Br)cc1 ZINC000830644380 600999046 /nfs/dbraw/zinc/99/90/46/600999046.db2.gz XJOLRAVHUBEOFN-MRXNPFEDSA-N -1 3 363.255 3.431 20 0 FGADHM CN(C)Cc1ccc(C(=O)Nc2nc(C(C)(C)C)c(C(=O)[O-])s2)cc1 ZINC000830620211 601077541 /nfs/dbraw/zinc/07/75/41/601077541.db2.gz ROTSLCUPBJYUAM-UHFFFAOYSA-N -1 3 361.467 3.453 20 0 FGADHM Cc1ccc(NC(=O)N(CCN(C)C)Cc2ccccc2)cc1C(=O)[O-] ZINC000832945756 601145410 /nfs/dbraw/zinc/14/54/10/601145410.db2.gz YGUCYDMABVDLQP-UHFFFAOYSA-N -1 3 355.438 3.289 20 0 FGADHM CC(C)(C)OC(=O)Nc1ccc(NCc2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000819946426 607492162 /nfs/dbraw/zinc/49/21/62/607492162.db2.gz JQPWVFMXYZVHDY-UHFFFAOYSA-N -1 3 367.413 3.221 20 0 FGADHM CC(C)(C)OC(=O)Nc1ccc(NCc2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000819946426 607492164 /nfs/dbraw/zinc/49/21/64/607492164.db2.gz JQPWVFMXYZVHDY-UHFFFAOYSA-N -1 3 367.413 3.221 20 0 FGADHM O=C([O-])c1cc(F)ccc1CN1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000833138105 601184377 /nfs/dbraw/zinc/18/43/77/601184377.db2.gz GIWUQYSMGIJZAR-HNNXBMFYSA-N -1 3 370.424 3.166 20 0 FGADHM C[C@@H](CSCc1ccccc1)C(=O)Nc1sccc1-c1nnn[n-]1 ZINC000820293791 607494354 /nfs/dbraw/zinc/49/43/54/607494354.db2.gz NXBPPKLAUXPDPA-NSHDSACASA-N -1 3 359.480 3.436 20 0 FGADHM C[C@@H](CSCc1ccccc1)C(=O)Nc1sccc1-c1nn[n-]n1 ZINC000820293791 607494356 /nfs/dbraw/zinc/49/43/56/607494356.db2.gz NXBPPKLAUXPDPA-NSHDSACASA-N -1 3 359.480 3.436 20 0 FGADHM C[C@H](C(=O)[O-])[C@H](NCC(=O)N[C@@H](c1ccccc1)C1CC1)c1ccccc1 ZINC000826044633 601205873 /nfs/dbraw/zinc/20/58/73/601205873.db2.gz JQJFJIBVVOIKRT-JHVJFLLYSA-N -1 3 366.461 3.306 20 0 FGADHM CCN(C(=O)c1ccnc(C(=O)[O-])c1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000829601849 601280048 /nfs/dbraw/zinc/28/00/48/601280048.db2.gz BEMUCZYJODJKKG-CRAIPNDOSA-N -1 3 367.449 3.077 20 0 FGADHM C[C@@H]1[C@H](c2ccccc2)CCN1CC(=O)NCc1ccc(NC(=O)[O-])cc1 ZINC000828150268 601328821 /nfs/dbraw/zinc/32/88/21/601328821.db2.gz PJGYTPLXBPNKJZ-DNVCBOLYSA-N -1 3 367.449 3.271 20 0 FGADHM O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)c1cccc(CN2CCCC2)c1 ZINC000663148582 601481040 /nfs/dbraw/zinc/48/10/40/601481040.db2.gz SIEPJTRMRRIFRC-FQEVSTJZSA-N -1 3 364.445 3.107 20 0 FGADHM CCOc1ccc(-c2noc(CNC3(CC(=O)[O-])CCCCC3)n2)cc1 ZINC000830053901 601555198 /nfs/dbraw/zinc/55/51/98/601555198.db2.gz BZWITQFQPDZICJ-UHFFFAOYSA-N -1 3 359.426 3.403 20 0 FGADHM CCOc1ccccc1NC(=O)CN[C@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000830109750 601655651 /nfs/dbraw/zinc/65/56/51/601655651.db2.gz LEOALTIPSPQXGD-LIRRHRJNSA-N -1 3 356.422 3.075 20 0 FGADHM C[C@H](C(=O)[O-])[C@@H](NCC(=O)N(C)[C@@H](C)c1ccccc1)c1ccccc1 ZINC000826044510 601657427 /nfs/dbraw/zinc/65/74/27/601657427.db2.gz HQPRZIBNCIZKKE-TWOQFEAHSA-N -1 3 354.450 3.258 20 0 FGADHM Cc1c(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cnn1CCC(C)C ZINC000826234654 607531294 /nfs/dbraw/zinc/53/12/94/607531294.db2.gz HTDAOTPORACMRV-UHFFFAOYSA-N -1 3 373.848 3.323 20 0 FGADHM Cc1c(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cnn1CCC(C)C ZINC000826234654 607531295 /nfs/dbraw/zinc/53/12/95/607531295.db2.gz HTDAOTPORACMRV-UHFFFAOYSA-N -1 3 373.848 3.323 20 0 FGADHM COc1ccc(CSCc2nc3ccccc3[nH]2)cc1-c1nnn[n-]1 ZINC000826208094 607532875 /nfs/dbraw/zinc/53/28/75/607532875.db2.gz SGQYYXJVUCYNMY-UHFFFAOYSA-N -1 3 352.423 3.185 20 0 FGADHM COc1ccc(CSCc2nc3ccccc3[nH]2)cc1-c1nn[n-]n1 ZINC000826208094 607532876 /nfs/dbraw/zinc/53/28/76/607532876.db2.gz SGQYYXJVUCYNMY-UHFFFAOYSA-N -1 3 352.423 3.185 20 0 FGADHM CCN(c1cc(C)cc(C)c1)S(=O)(=O)c1cccc(C)c1-c1nnn[n-]1 ZINC000825444167 607533204 /nfs/dbraw/zinc/53/32/04/607533204.db2.gz JLKRGNOGGNXCMH-UHFFFAOYSA-N -1 3 371.466 3.007 20 0 FGADHM CCN(c1cc(C)cc(C)c1)S(=O)(=O)c1cccc(C)c1-c1nn[n-]n1 ZINC000825444167 607533206 /nfs/dbraw/zinc/53/32/06/607533206.db2.gz JLKRGNOGGNXCMH-UHFFFAOYSA-N -1 3 371.466 3.007 20 0 FGADHM C[C@@H](C(=O)Nc1ccccc1Cc1ccccc1)N1CC[C@](C)(C(=O)[O-])C1 ZINC000826021011 601929955 /nfs/dbraw/zinc/92/99/55/601929955.db2.gz KKZRNGDEMZCUBW-AOMKIAJQSA-N -1 3 366.461 3.401 20 0 FGADHM CN(C[C@@H]1CCCN1Cc1ccc(C(=O)[O-])s1)C(=O)OC(C)(C)C ZINC000830718203 601960394 /nfs/dbraw/zinc/96/03/94/601960394.db2.gz NYCBABLYSDKFBU-LBPRGKRZSA-N -1 3 354.472 3.278 20 0 FGADHM COc1cc(OC)cc([C@H](NCc2cccc(OC(C)C)c2)C(=O)[O-])c1 ZINC000832057666 602167205 /nfs/dbraw/zinc/16/72/05/602167205.db2.gz QPSDHRHWODBQAS-IBGZPJMESA-N -1 3 359.422 3.407 20 0 FGADHM COC(=O)c1ccc(-c2nc(CN[C@H](C(=O)[O-])C(C)(C)C)cs2)cc1 ZINC000831354089 602225180 /nfs/dbraw/zinc/22/51/80/602225180.db2.gz UFQNXCJMQKIFQR-CQSZACIVSA-N -1 3 362.451 3.186 20 0 FGADHM CN(C)Cc1ccccc1NC(=O)CC[C@H](NC(=O)[O-])c1ccccc1 ZINC000739615143 602458249 /nfs/dbraw/zinc/45/82/49/602458249.db2.gz NOJJGBCULUZGSW-SFHVURJKSA-N -1 3 355.438 3.476 20 0 FGADHM CC1=C(C(=O)Nc2ncc(Cc3ccc(-c4nnn[n-]4)cc3)s2)CCC1 ZINC000824852259 607575654 /nfs/dbraw/zinc/57/56/54/607575654.db2.gz IOQPXPKSDDGIMF-UHFFFAOYSA-N -1 3 366.450 3.353 20 0 FGADHM CC1=C(C(=O)Nc2ncc(Cc3ccc(-c4nn[n-]n4)cc3)s2)CCC1 ZINC000824852259 607575656 /nfs/dbraw/zinc/57/56/56/607575656.db2.gz IOQPXPKSDDGIMF-UHFFFAOYSA-N -1 3 366.450 3.353 20 0 FGADHM C[C@H](C(=O)N(CCN(C)C)c1ccccc1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823653593 602765945 /nfs/dbraw/zinc/76/59/45/602765945.db2.gz CDOZNWWNXOACSF-LPHOPBHVSA-N -1 3 369.465 3.226 20 0 FGADHM CN(C)C[C@@H](NC(=O)Nc1cc(NC(=O)[O-])ccc1F)c1ccccc1 ZINC000739607557 603042583 /nfs/dbraw/zinc/04/25/83/603042583.db2.gz MQHVHJVVCRXLRB-MRXNPFEDSA-N -1 3 360.389 3.340 20 0 FGADHM COc1cc(CNC[C@@H]2CCCCN2C(=O)[O-])c(SC)cc1OC ZINC000739859485 603071733 /nfs/dbraw/zinc/07/17/33/603071733.db2.gz HRQDTWOBNUFAND-ZDUSSCGKSA-N -1 3 354.472 3.048 20 0 FGADHM COC(=O)c1cc2cc(CN3CCC([C@H](C)NC(=O)[O-])CC3)ccc2o1 ZINC000739781832 603342560 /nfs/dbraw/zinc/34/25/60/603342560.db2.gz WZELTIXQDRAGPG-LBPRGKRZSA-N -1 3 360.410 3.088 20 0 FGADHM C[C@H](NC(=O)[O-])c1ccc(NC(=O)NC[C@H](c2ccccc2)N(C)C)cc1 ZINC000825433351 603378410 /nfs/dbraw/zinc/37/84/10/603378410.db2.gz BECMNIFRKYXZCN-KBXCAEBGSA-N -1 3 370.453 3.440 20 0 FGADHM CN(C)Cc1cccc(NC(=O)N2CCC(N(CC3CC3)C(=O)[O-])CC2)c1 ZINC000828046510 603453136 /nfs/dbraw/zinc/45/31/36/603453136.db2.gz NJERVVWRBAHMDH-UHFFFAOYSA-N -1 3 374.485 3.135 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccccc1N1CCCCC1 ZINC000826250870 607646021 /nfs/dbraw/zinc/64/60/21/607646021.db2.gz WOPLSVOKVMGTPD-UHFFFAOYSA-N -1 3 362.437 3.418 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccccc1N1CCCCC1 ZINC000826250870 607646024 /nfs/dbraw/zinc/64/60/24/607646024.db2.gz WOPLSVOKVMGTPD-UHFFFAOYSA-N -1 3 362.437 3.418 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OCCSCCc1ccccc1 ZINC000826176197 607652761 /nfs/dbraw/zinc/65/27/61/607652761.db2.gz GGKPPFCKZPZQNT-UHFFFAOYSA-N -1 3 356.451 3.230 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OCCSCCc1ccccc1 ZINC000826176197 607652762 /nfs/dbraw/zinc/65/27/62/607652762.db2.gz GGKPPFCKZPZQNT-UHFFFAOYSA-N -1 3 356.451 3.230 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(Cc1ccccc1F)C1CC1 ZINC000826244013 607653197 /nfs/dbraw/zinc/65/31/97/607653197.db2.gz DTILNMHNJNUZCF-UHFFFAOYSA-N -1 3 351.385 3.119 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(Cc1ccccc1F)C1CC1 ZINC000826244013 607653199 /nfs/dbraw/zinc/65/31/99/607653199.db2.gz DTILNMHNJNUZCF-UHFFFAOYSA-N -1 3 351.385 3.119 20 0 FGADHM Cc1cccc2sc(NC(=O)c3ccc(-c4nnn[n-]4)cc3C)nc21 ZINC000826250768 607652041 /nfs/dbraw/zinc/65/20/41/607652041.db2.gz RBZOTEAMZHELFC-UHFFFAOYSA-N -1 3 350.407 3.346 20 0 FGADHM Cc1cccc2sc(NC(=O)c3ccc(-c4nn[n-]n4)cc3C)nc21 ZINC000826250768 607652043 /nfs/dbraw/zinc/65/20/43/607652043.db2.gz RBZOTEAMZHELFC-UHFFFAOYSA-N -1 3 350.407 3.346 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000826245060 607655101 /nfs/dbraw/zinc/65/51/01/607655101.db2.gz MNRUKSMMIKXUBI-QGZVFWFLSA-N -1 3 351.385 3.292 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000826245060 607655104 /nfs/dbraw/zinc/65/51/04/607655104.db2.gz MNRUKSMMIKXUBI-QGZVFWFLSA-N -1 3 351.385 3.292 20 0 FGADHM O=C([O-])N1CCc2cccc(CNC[C@H](c3ccco3)N3CCCC3)c21 ZINC000832087504 603847942 /nfs/dbraw/zinc/84/79/42/603847942.db2.gz WCXWYPPABZEBNM-QGZVFWFLSA-N -1 3 355.438 3.247 20 0 FGADHM Cc1ccsc1CCCC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826316533 607660526 /nfs/dbraw/zinc/66/05/26/607660526.db2.gz RFIOCQYROSICEK-CYBMUJFWSA-N -1 3 355.467 3.437 20 0 FGADHM Cc1ccsc1CCCC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826316533 607660528 /nfs/dbraw/zinc/66/05/28/607660528.db2.gz RFIOCQYROSICEK-CYBMUJFWSA-N -1 3 355.467 3.437 20 0 FGADHM CCCN(Cc1ccccc1F)C(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000825322682 607661546 /nfs/dbraw/zinc/66/15/46/607661546.db2.gz IXSQNAMIJISGCO-UHFFFAOYSA-N -1 3 353.401 3.367 20 0 FGADHM CCCN(Cc1ccccc1F)C(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000825322682 607661547 /nfs/dbraw/zinc/66/15/47/607661547.db2.gz IXSQNAMIJISGCO-UHFFFAOYSA-N -1 3 353.401 3.367 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@H](C)c1cccc(OC(C)C)c1 ZINC000826247193 607665202 /nfs/dbraw/zinc/66/52/02/607665202.db2.gz WKLROQOAKCVYBB-CQSZACIVSA-N -1 3 365.437 3.453 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@H](C)c1cccc(OC(C)C)c1 ZINC000826247193 607665203 /nfs/dbraw/zinc/66/52/03/607665203.db2.gz WKLROQOAKCVYBB-CQSZACIVSA-N -1 3 365.437 3.453 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NCc1cc2c(s1)CCCC2 ZINC000826248945 607666574 /nfs/dbraw/zinc/66/65/74/607666574.db2.gz DESPYWJJTLHFIY-UHFFFAOYSA-N -1 3 353.451 3.045 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NCc1cc2c(s1)CCCC2 ZINC000826248945 607666576 /nfs/dbraw/zinc/66/65/76/607666576.db2.gz DESPYWJJTLHFIY-UHFFFAOYSA-N -1 3 353.451 3.045 20 0 FGADHM CN(C)CCN(C(=O)Nc1ccccc1CN(C)C(=O)[O-])C1CCCC1 ZINC000828023693 604089087 /nfs/dbraw/zinc/08/90/87/604089087.db2.gz FWSSKVGUJFFIBK-UHFFFAOYSA-N -1 3 362.474 3.135 20 0 FGADHM Cc1ccc2c(CN3CCC[C@@H]([C@@H](C)NC(=O)[O-])C3)cc(=O)oc2c1C ZINC000830440215 604202397 /nfs/dbraw/zinc/20/23/97/604202397.db2.gz VOGHEFMEGWUWBX-HUUCEWRRSA-N -1 3 358.438 3.278 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCCC[C@@H]1Cc1ccccc1 ZINC000826245433 607678535 /nfs/dbraw/zinc/67/85/35/607678535.db2.gz XUSLEQWBIFHEMH-GOSISDBHSA-N -1 3 361.449 3.413 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCCC[C@@H]1Cc1ccccc1 ZINC000826245433 607678538 /nfs/dbraw/zinc/67/85/38/607678538.db2.gz XUSLEQWBIFHEMH-GOSISDBHSA-N -1 3 361.449 3.413 20 0 FGADHM Cc1cc2oc(=O)cc(CN3CCC[C@@H]([C@H](C)NC(=O)[O-])C3)c2cc1C ZINC000830143067 604259551 /nfs/dbraw/zinc/25/95/51/604259551.db2.gz DDOJBEVSZHDXKB-LSDHHAIUSA-N -1 3 358.438 3.278 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000826245265 607687791 /nfs/dbraw/zinc/68/77/91/607687791.db2.gz SKUIIVITDYUTOJ-HNNXBMFYSA-N -1 3 367.840 3.458 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000826245265 607687792 /nfs/dbraw/zinc/68/77/92/607687792.db2.gz SKUIIVITDYUTOJ-HNNXBMFYSA-N -1 3 367.840 3.458 20 0 FGADHM CCc1cccc(CC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)c1 ZINC000825722719 607691994 /nfs/dbraw/zinc/69/19/94/607691994.db2.gz KPZGREBUVRIGSI-UHFFFAOYSA-N -1 3 361.449 3.163 20 0 FGADHM CCc1cccc(CC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)c1 ZINC000825722719 607691995 /nfs/dbraw/zinc/69/19/95/607691995.db2.gz KPZGREBUVRIGSI-UHFFFAOYSA-N -1 3 361.449 3.163 20 0 FGADHM CC(C)(CC(=O)[O-])NCc1coc(-c2ccc(Br)cc2)n1 ZINC000826538500 604441091 /nfs/dbraw/zinc/44/10/91/604441091.db2.gz UYMFDJOPYZJNOS-UHFFFAOYSA-N -1 3 353.216 3.447 20 0 FGADHM CC[C@H](NC(=O)c1ccc(-c2nnn[n-]2)cc1C)c1ccc(F)cc1F ZINC000825133069 607693511 /nfs/dbraw/zinc/69/35/11/607693511.db2.gz IJKHSXPJWAFGAG-INIZCTEOSA-N -1 3 357.364 3.334 20 0 FGADHM CC[C@H](NC(=O)c1ccc(-c2nn[n-]n2)cc1C)c1ccc(F)cc1F ZINC000825133069 607693513 /nfs/dbraw/zinc/69/35/13/607693513.db2.gz IJKHSXPJWAFGAG-INIZCTEOSA-N -1 3 357.364 3.334 20 0 FGADHM CC(C)N1CCN(c2cccc(NC(=O)[C@@H]3CCC[C@@H](C(=O)[O-])C3)c2)CC1 ZINC000833499334 604505521 /nfs/dbraw/zinc/50/55/21/604505521.db2.gz NUEZYJUJYNTYDV-IAGOWNOFSA-N -1 3 373.497 3.047 20 0 FGADHM COc1ccc([C@H]2CCCN2Cc2c(C)nn(CCC(=O)[O-])c2C)cc1 ZINC000833733007 604515872 /nfs/dbraw/zinc/51/58/72/604515872.db2.gz ZFNLDTLHDBJBOL-LJQANCHMSA-N -1 3 357.454 3.320 20 0 FGADHM CC[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)cc1C)Oc1cccc(C)c1 ZINC000825119910 607701365 /nfs/dbraw/zinc/70/13/65/607701365.db2.gz GKKFWMJNFWXLSB-INIZCTEOSA-N -1 3 365.437 3.071 20 0 FGADHM CC[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)cc1C)Oc1cccc(C)c1 ZINC000825119910 607701367 /nfs/dbraw/zinc/70/13/67/607701367.db2.gz GKKFWMJNFWXLSB-INIZCTEOSA-N -1 3 365.437 3.071 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)Cc1cccc(CC)c1 ZINC000825620987 607706968 /nfs/dbraw/zinc/70/69/68/607706968.db2.gz LRRYXXJKUZTCRL-UHFFFAOYSA-N -1 3 351.410 3.009 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)Cc1cccc(CC)c1 ZINC000825620987 607706969 /nfs/dbraw/zinc/70/69/69/607706969.db2.gz LRRYXXJKUZTCRL-UHFFFAOYSA-N -1 3 351.410 3.009 20 0 FGADHM Cc1nc(C(=O)N(CC(C)C)c2ccc(-c3nnn[n-]3)cc2)c(C)s1 ZINC000826323062 607712262 /nfs/dbraw/zinc/71/22/62/607712262.db2.gz ODDWYZDBQUXUMK-UHFFFAOYSA-N -1 3 356.455 3.243 20 0 FGADHM Cc1nc(C(=O)N(CC(C)C)c2ccc(-c3nn[n-]n3)cc2)c(C)s1 ZINC000826323062 607712264 /nfs/dbraw/zinc/71/22/64/607712264.db2.gz ODDWYZDBQUXUMK-UHFFFAOYSA-N -1 3 356.455 3.243 20 0 FGADHM O=C([O-])[C@@H](O)C1CCN(Cc2cccc(OCc3ccc(F)cc3)c2)CC1 ZINC000833771048 604763289 /nfs/dbraw/zinc/76/32/89/604763289.db2.gz UKKBAUHNPMOWPU-FQEVSTJZSA-N -1 3 373.424 3.062 20 0 FGADHM CCc1oc(C(=O)[O-])cc1CN1CCC2(C[C@H]2C(=O)N2CCCCC2)CC1 ZINC000833679214 604855618 /nfs/dbraw/zinc/85/56/18/604855618.db2.gz WTABPWQLBOGFDG-INIZCTEOSA-N -1 3 374.481 3.155 20 0 FGADHM CC(C)Cc1ccc([C@@H](C)N[C@H](C)C(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC000833495183 604915650 /nfs/dbraw/zinc/91/56/50/604915650.db2.gz WJRGXGBTHGGVEO-HZPDHXFCSA-N -1 3 360.498 3.247 20 0 FGADHM C[C@@H]1Cc2ccccc2N1C1CCN([C@H](C(=O)[O-])c2cccnc2)CC1 ZINC000833634510 604923130 /nfs/dbraw/zinc/92/31/30/604923130.db2.gz MLDOSYULOGGQQM-QRWLVFNGSA-N -1 3 351.450 3.123 20 0 FGADHM Fc1cc(-c2nnn[n-]2)cc(F)c1N1CCS[C@@H](c2ccccc2)C1 ZINC000826371578 607728722 /nfs/dbraw/zinc/72/87/22/607728722.db2.gz LRLJRNUAYLKIFP-OAHLLOKOSA-N -1 3 359.405 3.439 20 0 FGADHM Fc1cc(-c2nn[n-]n2)cc(F)c1N1CCS[C@@H](c2ccccc2)C1 ZINC000826371578 607728724 /nfs/dbraw/zinc/72/87/24/607728724.db2.gz LRLJRNUAYLKIFP-OAHLLOKOSA-N -1 3 359.405 3.439 20 0 FGADHM O[C@@H](c1ccccc1)C1(CNc2ccc(Cl)cc2-c2nnn[n-]2)CC1 ZINC000826504683 607735359 /nfs/dbraw/zinc/73/53/59/607735359.db2.gz BFGXAILGXGGPDI-INIZCTEOSA-N -1 3 355.829 3.446 20 0 FGADHM O[C@@H](c1ccccc1)C1(CNc2ccc(Cl)cc2-c2nn[n-]n2)CC1 ZINC000826504683 607735360 /nfs/dbraw/zinc/73/53/60/607735360.db2.gz BFGXAILGXGGPDI-INIZCTEOSA-N -1 3 355.829 3.446 20 0 FGADHM CC[C@@H](NCc1ccc(C(=O)[O-])o1)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000833643761 605121099 /nfs/dbraw/zinc/12/10/99/605121099.db2.gz GLKLRJOSJQLBOV-SJLPKXTDSA-N -1 3 354.410 3.036 20 0 FGADHM CCN1C[C@@H](C)N(Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)C[C@@H]1C ZINC000833658556 605146594 /nfs/dbraw/zinc/14/65/94/605146594.db2.gz SXEIMNLMVFVCLO-UONOGXRCSA-N -1 3 359.495 3.423 20 0 FGADHM CC(C)(C(=O)[O-])[C@H](NCC(=O)NCCC1=CCCCC1)c1ccccc1 ZINC000833414593 605182781 /nfs/dbraw/zinc/18/27/81/605182781.db2.gz SGODWBLZLYUWOS-LJQANCHMSA-N -1 3 358.482 3.435 20 0 FGADHM O=C(c1ccc(-c2nnn[n-]2)[nH]1)N1Cc2ccccc2C[C@H]1c1ccccc1 ZINC000826471528 607744687 /nfs/dbraw/zinc/74/46/87/607744687.db2.gz CRJQLYRTPVBQOZ-IBGZPJMESA-N -1 3 370.416 3.135 20 0 FGADHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1Cc2ccccc2C[C@H]1c1ccccc1 ZINC000826471528 607744688 /nfs/dbraw/zinc/74/46/88/607744688.db2.gz CRJQLYRTPVBQOZ-IBGZPJMESA-N -1 3 370.416 3.135 20 0 FGADHM Cc1nn(C)c2ncc(CN[C@H](C(=O)[O-])c3ccc4ccccc4c3)cc12 ZINC000833756184 605273059 /nfs/dbraw/zinc/27/30/59/605273059.db2.gz CXYAOKRCVKWLRM-IBGZPJMESA-N -1 3 360.417 3.345 20 0 FGADHM CC(C)(C)n1ncc2c1CCC[C@@H]2NCc1ccc(OCC(=O)[O-])cc1 ZINC000833451959 605307555 /nfs/dbraw/zinc/30/75/55/605307555.db2.gz JPGUNIODOJGXHX-KRWDZBQOSA-N -1 3 357.454 3.269 20 0 FGADHM O=C([O-])N[C@@H]1CCC[C@H]2CN(Cc3coc(-c4cccc(F)c4)n3)C[C@@H]21 ZINC000834184741 605448674 /nfs/dbraw/zinc/44/86/74/605448674.db2.gz RKVBFAAONUIYGR-RRQGHBQHSA-N -1 3 359.401 3.349 20 0 FGADHM CCOC(=O)Nc1ccc(NC(=O)C[C@H](C)CC(C)C)cc1-c1nnn[n-]1 ZINC000825532834 607761300 /nfs/dbraw/zinc/76/13/00/607761300.db2.gz XOASIBZXFNMUAW-GFCCVEGCSA-N -1 3 374.445 3.446 20 0 FGADHM CCOC(=O)Nc1ccc(NC(=O)C[C@H](C)CC(C)C)cc1-c1nn[n-]n1 ZINC000825532834 607761301 /nfs/dbraw/zinc/76/13/01/607761301.db2.gz XOASIBZXFNMUAW-GFCCVEGCSA-N -1 3 374.445 3.446 20 0 FGADHM O=C([O-])Nc1cccc(CN2CCC(NC(=O)c3ccc(F)cc3)CC2)c1 ZINC000834268083 605594247 /nfs/dbraw/zinc/59/42/47/605594247.db2.gz CWSSYHYEDGOXOB-UHFFFAOYSA-N -1 3 371.412 3.310 20 0 FGADHM O=C([O-])Nc1cccc(CN2CCC(NC(=O)C3CCCCC3)CC2)c1 ZINC000834269133 605603567 /nfs/dbraw/zinc/60/35/67/605603567.db2.gz PXZJWXQYLJUKMY-UHFFFAOYSA-N -1 3 359.470 3.437 20 0 FGADHM O=C([O-])Nc1cccc(CN2CCC(NC(=O)c3ccsc3)CC2)c1 ZINC000834269393 605788504 /nfs/dbraw/zinc/78/85/04/605788504.db2.gz UXNQVQZMHYFYAY-UHFFFAOYSA-N -1 3 359.451 3.232 20 0 FGADHM O=C([O-])N(CC1CC1)C1CCN(C[C@H](O)c2ccc(Cl)cc2)CC1 ZINC000834062127 605807376 /nfs/dbraw/zinc/80/73/76/605807376.db2.gz FUECIOZUOUGKTM-KRWDZBQOSA-N -1 3 352.862 3.228 20 0 FGADHM O=C([O-])N1CCC[C@H](CN2C[C@@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)C1 ZINC000834100636 605879753 /nfs/dbraw/zinc/87/97/53/605879753.db2.gz UHFBKLUAFWPJPG-VBNZEHGJSA-N -1 3 372.387 3.203 20 0 FGADHM O=C([O-])N1CCC(CN2C[C@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)CC1 ZINC000834075814 605880136 /nfs/dbraw/zinc/88/01/36/605880136.db2.gz UFNXUWWAJFMZEE-HZPDHXFCSA-N -1 3 372.387 3.203 20 0 FGADHM COc1cc(-c2ccccc2)ccc1CN1CCC([C@H](O)C(=O)[O-])CC1 ZINC000833726919 605891365 /nfs/dbraw/zinc/89/13/65/605891365.db2.gz KTMNGOBANPDBJJ-FQEVSTJZSA-N -1 3 355.434 3.020 20 0 FGADHM O=C([O-])Nc1ccc(CNCc2ccc(COC3CCOCC3)cc2)cn1 ZINC000834259815 605913041 /nfs/dbraw/zinc/91/30/41/605913041.db2.gz GSPVHQOXVBIVOB-UHFFFAOYSA-N -1 3 371.437 3.157 20 0 FGADHM CC(C)Nc1ccc(F)cc1NC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000820138640 606023233 /nfs/dbraw/zinc/02/32/33/606023233.db2.gz ZZLMIJTWXPDGPC-UHFFFAOYSA-N -1 3 368.416 3.397 20 0 FGADHM CC(C)Nc1ccc(F)cc1NC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000820138640 606023237 /nfs/dbraw/zinc/02/32/37/606023237.db2.gz ZZLMIJTWXPDGPC-UHFFFAOYSA-N -1 3 368.416 3.397 20 0 FGADHM CCCOc1ccc(CNc2nc3ccccc3cc2-c2nnn[n-]2)cn1 ZINC000821134257 606077446 /nfs/dbraw/zinc/07/74/46/606077446.db2.gz QNOGNYVBWUNYOH-UHFFFAOYSA-N -1 3 361.409 3.211 20 0 FGADHM CCCOc1ccc(CNc2nc3ccccc3cc2-c2nn[n-]n2)cn1 ZINC000821134257 606077451 /nfs/dbraw/zinc/07/74/51/606077451.db2.gz QNOGNYVBWUNYOH-UHFFFAOYSA-N -1 3 361.409 3.211 20 0 FGADHM CC(C)c1csc([C@H]2CCCN(c3ccc(-c4nnn[n-]4)nc3)C2)n1 ZINC000820197992 606090965 /nfs/dbraw/zinc/09/09/65/606090965.db2.gz QBMMVIXKZGZFHI-LBPRGKRZSA-N -1 3 355.471 3.226 20 0 FGADHM CC(C)c1csc([C@H]2CCCN(c3ccc(-c4nn[n-]n4)nc3)C2)n1 ZINC000820197992 606090970 /nfs/dbraw/zinc/09/09/70/606090970.db2.gz QBMMVIXKZGZFHI-LBPRGKRZSA-N -1 3 355.471 3.226 20 0 FGADHM Cc1ccc(OCCCC(=O)N(C)c2cccc(-c3nnn[n-]3)c2)cc1C ZINC000822262900 606103539 /nfs/dbraw/zinc/10/35/39/606103539.db2.gz GLRFQVMXOGFFMV-UHFFFAOYSA-N -1 3 365.437 3.306 20 0 FGADHM Cc1ccc(OCCCC(=O)N(C)c2cccc(-c3nn[n-]n3)c2)cc1C ZINC000822262900 606103541 /nfs/dbraw/zinc/10/35/41/606103541.db2.gz GLRFQVMXOGFFMV-UHFFFAOYSA-N -1 3 365.437 3.306 20 0 FGADHM c1ccc(OC[C@H](Nc2ccc(-c3nnn[n-]3)cn2)c2ccccc2)cc1 ZINC000823791537 606105051 /nfs/dbraw/zinc/10/50/51/606105051.db2.gz DNFAZPZJBGRFAL-SFHVURJKSA-N -1 3 358.405 3.494 20 0 FGADHM c1ccc(OC[C@H](Nc2ccc(-c3nn[n-]n3)cn2)c2ccccc2)cc1 ZINC000823791537 606105053 /nfs/dbraw/zinc/10/50/53/606105053.db2.gz DNFAZPZJBGRFAL-SFHVURJKSA-N -1 3 358.405 3.494 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H](C)[C@@H](C)c1ccccc1 ZINC000822218117 606120826 /nfs/dbraw/zinc/12/08/26/606120826.db2.gz XNPNTDKHBLSJJC-ZIAGYGMSSA-N -1 3 350.426 3.489 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H](C)[C@@H](C)c1ccccc1 ZINC000822218117 606120827 /nfs/dbraw/zinc/12/08/27/606120827.db2.gz XNPNTDKHBLSJJC-ZIAGYGMSSA-N -1 3 350.426 3.489 20 0 FGADHM COc1cc(F)c([C@@H](C)OC(=O)Cc2ccc(-c3nnn[n-]3)cc2)c(F)c1 ZINC000821720746 606131381 /nfs/dbraw/zinc/13/13/81/606131381.db2.gz WZOURXGBDSFPCE-SNVBAGLBSA-N -1 3 374.347 3.000 20 0 FGADHM COc1cc(F)c([C@@H](C)OC(=O)Cc2ccc(-c3nn[n-]n3)cc2)c(F)c1 ZINC000821720746 606131382 /nfs/dbraw/zinc/13/13/82/606131382.db2.gz WZOURXGBDSFPCE-SNVBAGLBSA-N -1 3 374.347 3.000 20 0 FGADHM Cc1cc(C)c(-c2nnn[n-]2)c(SC[C@H](O)c2ccc(F)cc2C)n1 ZINC000822193407 606174222 /nfs/dbraw/zinc/17/42/22/606174222.db2.gz WOFLZCYZTCMKHP-AWEZNQCLSA-N -1 3 359.430 3.152 20 0 FGADHM Cc1cc(C)c(-c2nn[n-]n2)c(SC[C@H](O)c2ccc(F)cc2C)n1 ZINC000822193407 606174224 /nfs/dbraw/zinc/17/42/24/606174224.db2.gz WOFLZCYZTCMKHP-AWEZNQCLSA-N -1 3 359.430 3.152 20 0 FGADHM CC(C)[C@H](CNc1c(-c2nnn[n-]2)cnc2ccccc21)c1cccnc1 ZINC000820021486 606229171 /nfs/dbraw/zinc/22/91/71/606229171.db2.gz VCRYGOPFJGAMOC-INIZCTEOSA-N -1 3 359.437 3.084 20 0 FGADHM CC(C)[C@H](CNc1c(-c2nn[n-]n2)cnc2ccccc21)c1cccnc1 ZINC000820021486 606229173 /nfs/dbraw/zinc/22/91/73/606229173.db2.gz VCRYGOPFJGAMOC-INIZCTEOSA-N -1 3 359.437 3.084 20 0 FGADHM CC(C)Cn1ccc2cc(NC(=O)c3cc(-c4nnn[n-]4)cn3C)ccc21 ZINC000820108946 606236589 /nfs/dbraw/zinc/23/65/89/606236589.db2.gz WFOGWIRTHUFWDT-UHFFFAOYSA-N -1 3 363.425 3.068 20 0 FGADHM CC(C)Cn1ccc2cc(NC(=O)c3cc(-c4nn[n-]n4)cn3C)ccc21 ZINC000820108946 606236590 /nfs/dbraw/zinc/23/65/90/606236590.db2.gz WFOGWIRTHUFWDT-UHFFFAOYSA-N -1 3 363.425 3.068 20 0 FGADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Oc1ccccc1SC(F)(F)F ZINC000822664988 606239589 /nfs/dbraw/zinc/23/95/89/606239589.db2.gz FFKYQUFVQWYLHU-UHFFFAOYSA-N -1 3 369.328 3.036 20 0 FGADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Oc1ccccc1SC(F)(F)F ZINC000822664988 606239590 /nfs/dbraw/zinc/23/95/90/606239590.db2.gz FFKYQUFVQWYLHU-UHFFFAOYSA-N -1 3 369.328 3.036 20 0 FGADHM C[C@H](NC(=O)c1cc(-c2nnn[n-]2)cn1C)c1cccc(Cl)c1Cl ZINC000820384341 606254087 /nfs/dbraw/zinc/25/40/87/606254087.db2.gz BTKZZTHZAXZYBL-QMMMGPOBSA-N -1 3 365.224 3.003 20 0 FGADHM C[C@H](NC(=O)c1cc(-c2nn[n-]n2)cn1C)c1cccc(Cl)c1Cl ZINC000820384341 606254088 /nfs/dbraw/zinc/25/40/88/606254088.db2.gz BTKZZTHZAXZYBL-QMMMGPOBSA-N -1 3 365.224 3.003 20 0 FGADHM C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000820562990 606259538 /nfs/dbraw/zinc/25/95/38/606259538.db2.gz KZDFJCDVVPJOPT-NEPJUHHUSA-N -1 3 372.860 3.123 20 0 FGADHM C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000820562990 606259540 /nfs/dbraw/zinc/25/95/40/606259540.db2.gz KZDFJCDVVPJOPT-NEPJUHHUSA-N -1 3 372.860 3.123 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H](C)c1ccsc1 ZINC000821117815 606281105 /nfs/dbraw/zinc/28/11/05/606281105.db2.gz AOJKJPXCMLBTKY-NSHDSACASA-N -1 3 356.455 3.492 20 0 FGADHM C[C@@]1(CCc2ccccc2)CCN(C(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000820612985 606281401 /nfs/dbraw/zinc/28/14/01/606281401.db2.gz PCTJPXBHGMXTCB-OAQYLSRUSA-N -1 3 361.449 3.352 20 0 FGADHM C[C@@]1(CCc2ccccc2)CCN(C(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000820612985 606281403 /nfs/dbraw/zinc/28/14/03/606281403.db2.gz PCTJPXBHGMXTCB-OAQYLSRUSA-N -1 3 361.449 3.352 20 0 FGADHM CC[C@@H](C)CN(CC)C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000820870009 606300558 /nfs/dbraw/zinc/30/05/58/606300558.db2.gz KZCHRKXFMWRUKD-OAHLLOKOSA-N -1 3 359.474 3.310 20 0 FGADHM CC[C@@H](C)CN(CC)C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000820870009 606300559 /nfs/dbraw/zinc/30/05/59/606300559.db2.gz KZCHRKXFMWRUKD-OAHLLOKOSA-N -1 3 359.474 3.310 20 0 FGADHM COC(=O)[C@@H](N[C@@H](C)c1ccc(C)cc1C)c1cccc(-c2nnn[n-]2)c1 ZINC000821640284 606301328 /nfs/dbraw/zinc/30/13/28/606301328.db2.gz FHUHMSNWZJNVDE-KSSFIOAISA-N -1 3 365.437 3.048 20 0 FGADHM COC(=O)[C@@H](N[C@@H](C)c1ccc(C)cc1C)c1cccc(-c2nn[n-]n2)c1 ZINC000821640284 606301329 /nfs/dbraw/zinc/30/13/29/606301329.db2.gz FHUHMSNWZJNVDE-KSSFIOAISA-N -1 3 365.437 3.048 20 0 FGADHM CC[C@H](N[C@@H](C(=O)OC)c1cccc(-c2nnn[n-]2)c1)C1CCCCC1 ZINC000820921356 606304224 /nfs/dbraw/zinc/30/42/24/606304224.db2.gz YNUDFLNYRDWGJY-DLBZAZTESA-N -1 3 357.458 3.029 20 0 FGADHM CC[C@H](N[C@@H](C(=O)OC)c1cccc(-c2nn[n-]n2)c1)C1CCCCC1 ZINC000820921356 606304226 /nfs/dbraw/zinc/30/42/26/606304226.db2.gz YNUDFLNYRDWGJY-DLBZAZTESA-N -1 3 357.458 3.029 20 0 FGADHM Cc1ccc(C)c(S[C@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)c1 ZINC000822232075 606310771 /nfs/dbraw/zinc/31/07/71/606310771.db2.gz SLILWYKCTXLYJU-ZDUSSCGKSA-N -1 3 371.491 3.443 20 0 FGADHM Cc1ccc(C)c(S[C@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)c1 ZINC000822232075 606310773 /nfs/dbraw/zinc/31/07/73/606310773.db2.gz SLILWYKCTXLYJU-ZDUSSCGKSA-N -1 3 371.491 3.443 20 0 FGADHM O=C(Nc1ccc(OC2CCC2)c(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823350262 606311699 /nfs/dbraw/zinc/31/16/99/606311699.db2.gz GLZROECFWDHUSM-UHFFFAOYSA-N -1 3 353.357 3.189 20 0 FGADHM O=C(Nc1ccc(OC2CCC2)c(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823350262 606311700 /nfs/dbraw/zinc/31/17/00/606311700.db2.gz GLZROECFWDHUSM-UHFFFAOYSA-N -1 3 353.357 3.189 20 0 FGADHM COC(=O)[C@H](N[C@@H](c1ccccc1)C(C)C)c1cccc(-c2nnn[n-]2)c1 ZINC000821642274 606313828 /nfs/dbraw/zinc/31/38/28/606313828.db2.gz GKEKFAJZWDNHNW-QZTJIDSGSA-N -1 3 365.437 3.068 20 0 FGADHM COC(=O)[C@H](N[C@@H](c1ccccc1)C(C)C)c1cccc(-c2nn[n-]n2)c1 ZINC000821642274 606313830 /nfs/dbraw/zinc/31/38/30/606313830.db2.gz GKEKFAJZWDNHNW-QZTJIDSGSA-N -1 3 365.437 3.068 20 0 FGADHM CN(Cc1ccccc1)c1ccccc1NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000821614657 606316900 /nfs/dbraw/zinc/31/69/00/606316900.db2.gz PEVJRAVHJOMXMJ-UHFFFAOYSA-N -1 3 373.420 3.084 20 0 FGADHM CN(Cc1ccccc1)c1ccccc1NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000821614657 606316902 /nfs/dbraw/zinc/31/69/02/606316902.db2.gz PEVJRAVHJOMXMJ-UHFFFAOYSA-N -1 3 373.420 3.084 20 0 FGADHM CC(C)CS(=O)(=O)Oc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000820103446 606331948 /nfs/dbraw/zinc/33/19/48/606331948.db2.gz ZRGVCLUAJXPKQP-UHFFFAOYSA-N -1 3 374.422 3.024 20 0 FGADHM CC(C)CS(=O)(=O)Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000820103446 606331950 /nfs/dbraw/zinc/33/19/50/606331950.db2.gz ZRGVCLUAJXPKQP-UHFFFAOYSA-N -1 3 374.422 3.024 20 0 FGADHM O=C(Nc1ccc(OCC(F)F)cc1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000823350227 606335293 /nfs/dbraw/zinc/33/52/93/606335293.db2.gz FHHHQADWTUMWCN-UHFFFAOYSA-N -1 3 360.324 3.155 20 0 FGADHM O=C(Nc1ccc(OCC(F)F)cc1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000823350227 606335294 /nfs/dbraw/zinc/33/52/94/606335294.db2.gz FHHHQADWTUMWCN-UHFFFAOYSA-N -1 3 360.324 3.155 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N1[C@H](C)C[C@H]2CCCC[C@@H]21 ZINC000821762455 606344475 /nfs/dbraw/zinc/34/44/75/606344475.db2.gz LXWVYQDULOFBKK-JMSVASOKSA-N -1 3 356.430 3.060 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N1[C@H](C)C[C@H]2CCCC[C@@H]21 ZINC000821762455 606344477 /nfs/dbraw/zinc/34/44/77/606344477.db2.gz LXWVYQDULOFBKK-JMSVASOKSA-N -1 3 356.430 3.060 20 0 FGADHM CCSCC[C@@H](C)N(C)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000821454174 606347623 /nfs/dbraw/zinc/34/76/23/606347623.db2.gz DSUYROXCMIPPMC-SNVBAGLBSA-N -1 3 352.439 3.001 20 0 FGADHM CCSCC[C@@H](C)N(C)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000821454174 606347626 /nfs/dbraw/zinc/34/76/26/606347626.db2.gz DSUYROXCMIPPMC-SNVBAGLBSA-N -1 3 352.439 3.001 20 0 FGADHM Cc1cccc2c1CC[C@H]2NC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000822341076 606347862 /nfs/dbraw/zinc/34/78/62/606347862.db2.gz UBPLXNYHXYCBEF-OAHLLOKOSA-N -1 3 352.373 3.123 20 0 FGADHM Cc1cccc2c1CC[C@H]2NC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000822341076 606347864 /nfs/dbraw/zinc/34/78/64/606347864.db2.gz UBPLXNYHXYCBEF-OAHLLOKOSA-N -1 3 352.373 3.123 20 0 FGADHM C[C@@H](OC(=O)c1cc(-c2ccccc2)no1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820501701 606349406 /nfs/dbraw/zinc/34/94/06/606349406.db2.gz KKEAUDKEYOCRFE-GFCCVEGCSA-N -1 3 361.361 3.440 20 0 FGADHM C[C@@H](OC(=O)c1cc(-c2ccccc2)no1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820501701 606349407 /nfs/dbraw/zinc/34/94/07/606349407.db2.gz KKEAUDKEYOCRFE-GFCCVEGCSA-N -1 3 361.361 3.440 20 0 FGADHM C[C@@H](OC(=O)c1cc(Cl)nc(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820508708 606349603 /nfs/dbraw/zinc/34/96/03/606349603.db2.gz VWDNIXHRBQIKQS-MRVPVSSYSA-N -1 3 364.192 3.487 20 0 FGADHM C[C@@H](OC(=O)c1cc(Cl)nc(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820508708 606349605 /nfs/dbraw/zinc/34/96/05/606349605.db2.gz VWDNIXHRBQIKQS-MRVPVSSYSA-N -1 3 364.192 3.487 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)N1CC[C@@H](c2ccccc2)C1 ZINC000823344294 606350076 /nfs/dbraw/zinc/35/00/76/606350076.db2.gz UGWZARVERUUYBV-CYBMUJFWSA-N -1 3 352.373 3.027 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)N1CC[C@@H](c2ccccc2)C1 ZINC000823344294 606350077 /nfs/dbraw/zinc/35/00/77/606350077.db2.gz UGWZARVERUUYBV-CYBMUJFWSA-N -1 3 352.373 3.027 20 0 FGADHM C[C@H](OC(=O)c1cccc(-c2cnn(C)c2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820513443 606350991 /nfs/dbraw/zinc/35/09/91/606350991.db2.gz ZXEMTCKASLHTGZ-ZDUSSCGKSA-N -1 3 374.404 3.185 20 0 FGADHM C[C@H](OC(=O)c1cccc(-c2cnn(C)c2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820513443 606350994 /nfs/dbraw/zinc/35/09/94/606350994.db2.gz ZXEMTCKASLHTGZ-ZDUSSCGKSA-N -1 3 374.404 3.185 20 0 FGADHM Cc1ccc2c(c1)[C@H](NC(=O)Nc1ccc(F)cc1-c1nnn[n-]1)CC2 ZINC000822274831 606351347 /nfs/dbraw/zinc/35/13/47/606351347.db2.gz KIINXUXIBZHZTD-OAHLLOKOSA-N -1 3 352.373 3.123 20 0 FGADHM Cc1ccc2c(c1)[C@H](NC(=O)Nc1ccc(F)cc1-c1nn[n-]n1)CC2 ZINC000822274831 606351349 /nfs/dbraw/zinc/35/13/49/606351349.db2.gz KIINXUXIBZHZTD-OAHLLOKOSA-N -1 3 352.373 3.123 20 0 FGADHM COc1cccc([C@H](C)C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821859152 606351899 /nfs/dbraw/zinc/35/18/99/606351899.db2.gz LRDPKBGBXSVIOL-STQMWFEESA-N -1 3 352.394 3.283 20 0 FGADHM COc1cccc([C@H](C)C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821859152 606351901 /nfs/dbraw/zinc/35/19/01/606351901.db2.gz LRDPKBGBXSVIOL-STQMWFEESA-N -1 3 352.394 3.283 20 0 FGADHM C[C@H]1[C@H](c2ccccc2)CCN1C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820643749 606352100 /nfs/dbraw/zinc/35/21/00/606352100.db2.gz YRMFYVGFSLUCAE-SWLSCSKDSA-N -1 3 366.400 3.416 20 0 FGADHM C[C@H]1[C@H](c2ccccc2)CCN1C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820643749 606352102 /nfs/dbraw/zinc/35/21/02/606352102.db2.gz YRMFYVGFSLUCAE-SWLSCSKDSA-N -1 3 366.400 3.416 20 0 FGADHM Cc1cc(S[C@H]2CCCOC2)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000822213061 606359211 /nfs/dbraw/zinc/35/92/11/606359211.db2.gz SGJGTAQDMJAOSQ-LBPRGKRZSA-N -1 3 366.450 3.247 20 0 FGADHM Cc1cc(S[C@H]2CCCOC2)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC000822213061 606359213 /nfs/dbraw/zinc/35/92/13/606359213.db2.gz SGJGTAQDMJAOSQ-LBPRGKRZSA-N -1 3 366.450 3.247 20 0 FGADHM CO[C@](C)(C(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000821672688 606359950 /nfs/dbraw/zinc/35/99/50/606359950.db2.gz URZFKQHQQISGEA-DJJJIMSYSA-N -1 3 352.394 3.033 20 0 FGADHM CO[C@](C)(C(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000821672688 606359951 /nfs/dbraw/zinc/35/99/51/606359951.db2.gz URZFKQHQQISGEA-DJJJIMSYSA-N -1 3 352.394 3.033 20 0 FGADHM CO[C@@](C)(C(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000821672687 606360030 /nfs/dbraw/zinc/36/00/30/606360030.db2.gz URZFKQHQQISGEA-BFUOFWGJSA-N -1 3 352.394 3.033 20 0 FGADHM CO[C@@](C)(C(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000821672687 606360032 /nfs/dbraw/zinc/36/00/32/606360032.db2.gz URZFKQHQQISGEA-BFUOFWGJSA-N -1 3 352.394 3.033 20 0 FGADHM CS/C=C\C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821955751 606360747 /nfs/dbraw/zinc/36/07/47/606360747.db2.gz ASRPCJVJQAHAOL-KTKRTIGZSA-N -1 3 353.407 3.474 20 0 FGADHM CS/C=C\C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821955751 606360748 /nfs/dbraw/zinc/36/07/48/606360748.db2.gz ASRPCJVJQAHAOL-KTKRTIGZSA-N -1 3 353.407 3.474 20 0 FGADHM CCS[C@H]1CCC[C@@H](NC(=O)Nc2cc(-c3nnn[n-]3)ccc2C)C1 ZINC000821455838 606382772 /nfs/dbraw/zinc/38/27/72/606382772.db2.gz MANFIDBDOUMBGA-KGLIPLIRSA-N -1 3 360.487 3.361 20 0 FGADHM CCS[C@H]1CCC[C@@H](NC(=O)Nc2cc(-c3nn[n-]n3)ccc2C)C1 ZINC000821455838 606382774 /nfs/dbraw/zinc/38/27/74/606382774.db2.gz MANFIDBDOUMBGA-KGLIPLIRSA-N -1 3 360.487 3.361 20 0 FGADHM C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000820650558 606384167 /nfs/dbraw/zinc/38/41/67/606384167.db2.gz VSDQXXHSEOCXGH-BBRMVZONSA-N -1 3 356.474 3.223 20 0 FGADHM C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000820650558 606384168 /nfs/dbraw/zinc/38/41/68/606384168.db2.gz VSDQXXHSEOCXGH-BBRMVZONSA-N -1 3 356.474 3.223 20 0 FGADHM COc1cc(CC(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)ccc1C ZINC000821711775 606412407 /nfs/dbraw/zinc/41/24/07/606412407.db2.gz AFBHZVKMXFJQDW-UHFFFAOYSA-N -1 3 371.828 3.043 20 0 FGADHM COc1cc(CC(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)ccc1C ZINC000821711775 606412408 /nfs/dbraw/zinc/41/24/08/606412408.db2.gz AFBHZVKMXFJQDW-UHFFFAOYSA-N -1 3 371.828 3.043 20 0 FGADHM C[C@@H](Nc1ncccc1-c1nnn[n-]1)[C@H](O)c1c(Cl)cccc1Cl ZINC000820460812 606419391 /nfs/dbraw/zinc/41/93/91/606419391.db2.gz CBTNZQSGZVSODE-OQPBUACISA-N -1 3 365.224 3.103 20 0 FGADHM C[C@@H](Nc1ncccc1-c1nn[n-]n1)[C@H](O)c1c(Cl)cccc1Cl ZINC000820460812 606419394 /nfs/dbraw/zinc/41/93/94/606419394.db2.gz CBTNZQSGZVSODE-OQPBUACISA-N -1 3 365.224 3.103 20 0 FGADHM C[C@H](NC(=O)NCc1cccc(-c2nnn[n-]2)c1)c1c(F)cccc1Cl ZINC000820374651 606440075 /nfs/dbraw/zinc/44/00/75/606440075.db2.gz PQSKSKMMQOCBLU-JTQLQIEISA-N -1 3 374.807 3.220 20 0 FGADHM C[C@H](NC(=O)NCc1cccc(-c2nn[n-]n2)c1)c1c(F)cccc1Cl ZINC000820374651 606440077 /nfs/dbraw/zinc/44/00/77/606440077.db2.gz PQSKSKMMQOCBLU-JTQLQIEISA-N -1 3 374.807 3.220 20 0 FGADHM CC(C)C(=O)Nc1cccc(NCc2cc(-c3nnn[n-]3)ccc2F)c1 ZINC000820010968 606444047 /nfs/dbraw/zinc/44/40/47/606444047.db2.gz FQWLRZCEQGODEC-UHFFFAOYSA-N -1 3 354.389 3.212 20 0 FGADHM CC(C)C(=O)Nc1cccc(NCc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC000820010968 606444049 /nfs/dbraw/zinc/44/40/49/606444049.db2.gz FQWLRZCEQGODEC-UHFFFAOYSA-N -1 3 354.389 3.212 20 0 FGADHM COc1cccc(C(=O)Oc2ccc(-c3ccc(-c4nnn[n-]4)cc3)cc2)n1 ZINC000821860260 606461377 /nfs/dbraw/zinc/46/13/77/606461377.db2.gz ZSAOCLSHCZTBHC-UHFFFAOYSA-N -1 3 373.372 3.157 20 0 FGADHM COc1cccc(C(=O)Oc2ccc(-c3ccc(-c4nn[n-]n4)cc3)cc2)n1 ZINC000821860260 606461379 /nfs/dbraw/zinc/46/13/79/606461379.db2.gz ZSAOCLSHCZTBHC-UHFFFAOYSA-N -1 3 373.372 3.157 20 0 FGADHM COC(=O)C(C)(C)c1ccc(NCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000821638956 606462637 /nfs/dbraw/zinc/46/26/37/606462637.db2.gz LYTXVLBXNQXLBA-UHFFFAOYSA-N -1 3 369.400 3.069 20 0 FGADHM COC(=O)C(C)(C)c1ccc(NCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000821638956 606462639 /nfs/dbraw/zinc/46/26/39/606462639.db2.gz LYTXVLBXNQXLBA-UHFFFAOYSA-N -1 3 369.400 3.069 20 0 FGADHM C[C@H](OC(=O)c1cc(-c2nnn[n-]2)cs1)c1cnc2ccccc2c1 ZINC000820508860 606464971 /nfs/dbraw/zinc/46/49/71/606464971.db2.gz ZHUYPNRLPHFRSP-JTQLQIEISA-N -1 3 351.391 3.394 20 0 FGADHM C[C@H](OC(=O)c1cc(-c2nn[n-]n2)cs1)c1cnc2ccccc2c1 ZINC000820508860 606464975 /nfs/dbraw/zinc/46/49/75/606464975.db2.gz ZHUYPNRLPHFRSP-JTQLQIEISA-N -1 3 351.391 3.394 20 0 FGADHM CCCCO[C@H]1C[C@H](OC(=O)c2cc(-c3nnn[n-]3)cs2)C1(C)C ZINC000821071896 606468769 /nfs/dbraw/zinc/46/87/69/606468769.db2.gz NGRUGRDJEDNYDM-STQMWFEESA-N -1 3 350.444 3.069 20 0 FGADHM CCCCO[C@H]1C[C@H](OC(=O)c2cc(-c3nn[n-]n3)cs2)C1(C)C ZINC000821071896 606468771 /nfs/dbraw/zinc/46/87/71/606468771.db2.gz NGRUGRDJEDNYDM-STQMWFEESA-N -1 3 350.444 3.069 20 0 FGADHM Cc1cc(C)c(-c2nnn[n-]2)c(NC[C@@H]2SCCc3ccccc32)n1 ZINC000822193495 606477980 /nfs/dbraw/zinc/47/79/80/606477980.db2.gz ZNMPBUNMJLSGCH-HNNXBMFYSA-N -1 3 352.467 3.321 20 0 FGADHM Cc1cc(C)c(-c2nn[n-]n2)c(NC[C@@H]2SCCc3ccccc32)n1 ZINC000822193495 606477982 /nfs/dbraw/zinc/47/79/82/606477982.db2.gz ZNMPBUNMJLSGCH-HNNXBMFYSA-N -1 3 352.467 3.321 20 0 FGADHM O=C(NC[C@@H]1CCC[C@@H](C(F)(F)F)C1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000823175620 606482657 /nfs/dbraw/zinc/48/26/57/606482657.db2.gz KOUXUGKZDAISHN-ZYHUDNBSSA-N -1 3 368.363 3.357 20 0 FGADHM O=C(NC[C@@H]1CCC[C@@H](C(F)(F)F)C1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000823175620 606482659 /nfs/dbraw/zinc/48/26/59/606482659.db2.gz KOUXUGKZDAISHN-ZYHUDNBSSA-N -1 3 368.363 3.357 20 0 FGADHM O=C(Nc1ccc(OCC(F)(F)F)cc1)c1cc(-c2nnn[n-]2)cs1 ZINC000823350688 606488300 /nfs/dbraw/zinc/48/83/00/606488300.db2.gz XJTQDGYCKPMCED-UHFFFAOYSA-N -1 3 369.328 3.122 20 0 FGADHM O=C(Nc1ccc(OCC(F)(F)F)cc1)c1cc(-c2nn[n-]n2)cs1 ZINC000823350688 606488301 /nfs/dbraw/zinc/48/83/01/606488301.db2.gz XJTQDGYCKPMCED-UHFFFAOYSA-N -1 3 369.328 3.122 20 0 FGADHM O=C(Nc1cccc(-c2nccs2)c1)c1cc(-c2nnn[n-]2)cs1 ZINC000823360228 606496130 /nfs/dbraw/zinc/49/61/30/606496130.db2.gz XITSCNIYEIEPRZ-UHFFFAOYSA-N -1 3 354.420 3.304 20 0 FGADHM O=C(Nc1cccc(-c2nccs2)c1)c1cc(-c2nn[n-]n2)cs1 ZINC000823360228 606496132 /nfs/dbraw/zinc/49/61/32/606496132.db2.gz XITSCNIYEIEPRZ-UHFFFAOYSA-N -1 3 354.420 3.304 20 0 FGADHM CC[C@H](NC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)cc1 ZINC000820914630 606499993 /nfs/dbraw/zinc/49/99/93/606499993.db2.gz QHHQUOCFNABBIG-INIZCTEOSA-N -1 3 355.829 3.330 20 0 FGADHM CC[C@H](NC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)cc1 ZINC000820914630 606499995 /nfs/dbraw/zinc/49/99/95/606499995.db2.gz QHHQUOCFNABBIG-INIZCTEOSA-N -1 3 355.829 3.330 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1ccc(Cl)c2ncccc12 ZINC000823104553 606502078 /nfs/dbraw/zinc/50/20/78/606502078.db2.gz ZFSWXXRJKQXUNZ-UHFFFAOYSA-N -1 3 364.796 3.250 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1ccc(Cl)c2ncccc12 ZINC000823104553 606502080 /nfs/dbraw/zinc/50/20/80/606502080.db2.gz ZFSWXXRJKQXUNZ-UHFFFAOYSA-N -1 3 364.796 3.250 20 0 FGADHM CCCN(C(=O)Cc1cccc(-c2nnn[n-]2)c1)[C@H]1CCc2ccccc21 ZINC000821083431 606505167 /nfs/dbraw/zinc/50/51/67/606505167.db2.gz YXTLLFWBWQNKPR-IBGZPJMESA-N -1 3 361.449 3.335 20 0 FGADHM CCCN(C(=O)Cc1cccc(-c2nn[n-]n2)c1)[C@H]1CCc2ccccc21 ZINC000821083431 606505169 /nfs/dbraw/zinc/50/51/69/606505169.db2.gz YXTLLFWBWQNKPR-IBGZPJMESA-N -1 3 361.449 3.335 20 0 FGADHM CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820913321 606513926 /nfs/dbraw/zinc/51/39/26/606513926.db2.gz FKTNYLWHGMBHRB-ZDUSSCGKSA-N -1 3 361.858 3.333 20 0 FGADHM CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820913321 606513928 /nfs/dbraw/zinc/51/39/28/606513928.db2.gz FKTNYLWHGMBHRB-ZDUSSCGKSA-N -1 3 361.858 3.333 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1ccccc1OC1CCCC1 ZINC000823107967 606514185 /nfs/dbraw/zinc/51/41/85/606514185.db2.gz HIAJPUGVVKDVAS-UHFFFAOYSA-N -1 3 363.421 3.369 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1ccccc1OC1CCCC1 ZINC000823107967 606514186 /nfs/dbraw/zinc/51/41/86/606514186.db2.gz HIAJPUGVVKDVAS-UHFFFAOYSA-N -1 3 363.421 3.369 20 0 FGADHM CC(C)COc1ccccc1NC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820102669 606514297 /nfs/dbraw/zinc/51/42/97/606514297.db2.gz GENKJRDWOWMTDX-UHFFFAOYSA-N -1 3 351.410 3.083 20 0 FGADHM CC(C)COc1ccccc1NC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820102669 606514298 /nfs/dbraw/zinc/51/42/98/606514298.db2.gz GENKJRDWOWMTDX-UHFFFAOYSA-N -1 3 351.410 3.083 20 0 FGADHM O=C(N[C@H]1C[C@H]1c1c(F)cccc1Cl)c1cc(-c2nnn[n-]2)cs1 ZINC000823145286 606517034 /nfs/dbraw/zinc/51/70/34/606517034.db2.gz PZIGRMXUMNKURQ-KCJUWKMLSA-N -1 3 363.805 3.007 20 0 FGADHM O=C(N[C@H]1C[C@H]1c1c(F)cccc1Cl)c1cc(-c2nn[n-]n2)cs1 ZINC000823145286 606517035 /nfs/dbraw/zinc/51/70/35/606517035.db2.gz PZIGRMXUMNKURQ-KCJUWKMLSA-N -1 3 363.805 3.007 20 0 FGADHM Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)c2cc(-c3nnn[n-]3)cs2)o1 ZINC000822233946 606522016 /nfs/dbraw/zinc/52/20/16/606522016.db2.gz YFASNCFDRRLMTR-MFKMUULPSA-N -1 3 357.439 3.443 20 0 FGADHM Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)c2cc(-c3nn[n-]n3)cs2)o1 ZINC000822233946 606522017 /nfs/dbraw/zinc/52/20/17/606522017.db2.gz YFASNCFDRRLMTR-MFKMUULPSA-N -1 3 357.439 3.443 20 0 FGADHM O=C(NCC(F)F)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000823166254 606523275 /nfs/dbraw/zinc/52/32/75/606523275.db2.gz HZWZEDGVFYOCSM-UHFFFAOYSA-N -1 3 361.377 3.013 20 0 FGADHM O=C(NCC(F)F)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC000823166254 606523277 /nfs/dbraw/zinc/52/32/77/606523277.db2.gz HZWZEDGVFYOCSM-UHFFFAOYSA-N -1 3 361.377 3.013 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N[C@H]1CCCC[C@H]1c1ccccc1 ZINC000823093046 606534999 /nfs/dbraw/zinc/53/49/99/606534999.db2.gz SOAIRVOXXIBKER-OALUTQOASA-N -1 3 361.449 3.252 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N[C@H]1CCCC[C@H]1c1ccccc1 ZINC000823093046 606535001 /nfs/dbraw/zinc/53/50/01/606535001.db2.gz SOAIRVOXXIBKER-OALUTQOASA-N -1 3 361.449 3.252 20 0 FGADHM O=C(c1cc(-c2nnn[n-]2)cs1)N1CCC[C@H](c2ccccc2)CC1 ZINC000823472777 606540328 /nfs/dbraw/zinc/54/03/28/606540328.db2.gz YIYXTHRXSQBZTP-AWEZNQCLSA-N -1 3 353.451 3.338 20 0 FGADHM O=C(c1cc(-c2nn[n-]n2)cs1)N1CCC[C@H](c2ccccc2)CC1 ZINC000823472777 606540329 /nfs/dbraw/zinc/54/03/29/606540329.db2.gz YIYXTHRXSQBZTP-AWEZNQCLSA-N -1 3 353.451 3.338 20 0 FGADHM C[C@@H](C(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1)C1CCCC1 ZINC000819856341 606551394 /nfs/dbraw/zinc/55/13/94/606551394.db2.gz IUPUZZJPHVVWRD-CQSZACIVSA-N -1 3 369.469 3.063 20 0 FGADHM C[C@@H](C(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1)C1CCCC1 ZINC000819856341 606551395 /nfs/dbraw/zinc/55/13/95/606551395.db2.gz IUPUZZJPHVVWRD-CQSZACIVSA-N -1 3 369.469 3.063 20 0 FGADHM CCC1(C(=O)OCc2ccc(-c3nnn[n-]3)cc2OC(F)F)CCC1 ZINC000820951403 606560905 /nfs/dbraw/zinc/56/09/05/606560905.db2.gz ZUKCASNYISMJAH-UHFFFAOYSA-N -1 3 352.341 3.092 20 0 FGADHM CCC1(C(=O)OCc2ccc(-c3nn[n-]n3)cc2OC(F)F)CCC1 ZINC000820951403 606560906 /nfs/dbraw/zinc/56/09/06/606560906.db2.gz ZUKCASNYISMJAH-UHFFFAOYSA-N -1 3 352.341 3.092 20 0 FGADHM CC(C)Oc1c(Cl)cccc1NC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820146839 606566162 /nfs/dbraw/zinc/56/61/62/606566162.db2.gz SFUGEOUCVBJPAG-UHFFFAOYSA-N -1 3 371.828 3.489 20 0 FGADHM CC(C)Oc1c(Cl)cccc1NC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820146839 606566163 /nfs/dbraw/zinc/56/61/63/606566163.db2.gz SFUGEOUCVBJPAG-UHFFFAOYSA-N -1 3 371.828 3.489 20 0 FGADHM C[C@@H]1CN(C(=O)Cc2cccc(-c3nnn[n-]3)c2)CC[C@@H]1c1ccccc1 ZINC000820733018 606573976 /nfs/dbraw/zinc/57/39/76/606573976.db2.gz CCGWAFKEKZXYTB-BEFAXECRSA-N -1 3 361.449 3.061 20 0 FGADHM C[C@@H]1CN(C(=O)Cc2cccc(-c3nn[n-]n3)c2)CC[C@@H]1c1ccccc1 ZINC000820733018 606573978 /nfs/dbraw/zinc/57/39/78/606573978.db2.gz CCGWAFKEKZXYTB-BEFAXECRSA-N -1 3 361.449 3.061 20 0 FGADHM Cc1ccccc1CC1CN(C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)C1 ZINC000822356159 606575276 /nfs/dbraw/zinc/57/52/76/606575276.db2.gz LAZDGTAUYZZSHX-UHFFFAOYSA-N -1 3 362.437 3.190 20 0 FGADHM Cc1ccccc1CC1CN(C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)C1 ZINC000822356159 606575278 /nfs/dbraw/zinc/57/52/78/606575278.db2.gz LAZDGTAUYZZSHX-UHFFFAOYSA-N -1 3 362.437 3.190 20 0 FGADHM CCCn1ccc2ccc(NC(=O)Cc3cccc(-c4nnn[n-]4)c3)cc21 ZINC000821149170 606579169 /nfs/dbraw/zinc/57/91/69/606579169.db2.gz UCISBNQDFZBMOW-UHFFFAOYSA-N -1 3 360.421 3.413 20 0 FGADHM CCCn1ccc2ccc(NC(=O)Cc3cccc(-c4nn[n-]n4)c3)cc21 ZINC000821149170 606579170 /nfs/dbraw/zinc/57/91/70/606579170.db2.gz UCISBNQDFZBMOW-UHFFFAOYSA-N -1 3 360.421 3.413 20 0 FGADHM Fc1ccc(OCc2ccc(-c3nnn[n-]3)cc2OC(F)F)c(F)c1 ZINC000822782956 606589701 /nfs/dbraw/zinc/58/97/01/606589701.db2.gz NKNNHNMBYLQUIW-UHFFFAOYSA-N -1 3 354.263 3.325 20 0 FGADHM Fc1ccc(OCc2ccc(-c3nn[n-]n3)cc2OC(F)F)c(F)c1 ZINC000822782956 606589702 /nfs/dbraw/zinc/58/97/02/606589702.db2.gz NKNNHNMBYLQUIW-UHFFFAOYSA-N -1 3 354.263 3.325 20 0 FGADHM Cc1cccc([C@H](NC(=O)c2ccc(-c3nnn[n-]3)cn2)C(C)(C)C)c1 ZINC000822289468 606590425 /nfs/dbraw/zinc/59/04/25/606590425.db2.gz YBHANUUSFLAWFA-INIZCTEOSA-N -1 3 350.426 3.087 20 0 FGADHM Cc1cccc([C@H](NC(=O)c2ccc(-c3nn[n-]n3)cn2)C(C)(C)C)c1 ZINC000822289468 606590426 /nfs/dbraw/zinc/59/04/26/606590426.db2.gz YBHANUUSFLAWFA-INIZCTEOSA-N -1 3 350.426 3.087 20 0 FGADHM CO[C@H]1C[C@@H](n2c(C)csc2=Nc2ccccc2-c2nnn[n-]2)C1(C)C ZINC000821677907 606611305 /nfs/dbraw/zinc/61/13/05/606611305.db2.gz GOAUAUNQYWJOHV-CABCVRRESA-N -1 3 370.482 3.257 20 0 FGADHM CO[C@H]1C[C@@H](n2c(C)csc2=Nc2ccccc2-c2nn[n-]n2)C1(C)C ZINC000821677907 606611306 /nfs/dbraw/zinc/61/13/06/606611306.db2.gz GOAUAUNQYWJOHV-CABCVRRESA-N -1 3 370.482 3.257 20 0 FGADHM CCO[C@H]1C[C@H](NC(=S)Nc2ccccc2-c2nnn[n-]2)C1(CC)CC ZINC000821361409 606618538 /nfs/dbraw/zinc/61/85/38/606618538.db2.gz URSAYQYQQHZXHW-GJZGRUSLSA-N -1 3 374.514 3.137 20 0 FGADHM CCO[C@H]1C[C@H](NC(=S)Nc2ccccc2-c2nn[n-]n2)C1(CC)CC ZINC000821361409 606618540 /nfs/dbraw/zinc/61/85/40/606618540.db2.gz URSAYQYQQHZXHW-GJZGRUSLSA-N -1 3 374.514 3.137 20 0 FGADHM CC(=CC(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1cccc(Cl)c1 ZINC000749984548 606626076 /nfs/dbraw/zinc/62/60/76/606626076.db2.gz YJHNIHRAXPEJNY-XFXZXTDPSA-N -1 3 353.813 3.240 20 0 FGADHM CC(=CC(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1cccc(Cl)c1 ZINC000749984548 606626080 /nfs/dbraw/zinc/62/60/80/606626080.db2.gz YJHNIHRAXPEJNY-XFXZXTDPSA-N -1 3 353.813 3.240 20 0 FGADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CCCCC[C@@H]1/C=C/c1ccccc1 ZINC000823465976 606626479 /nfs/dbraw/zinc/62/64/79/606626479.db2.gz DHQKPSGMNFVITQ-SXSDINLZSA-N -1 3 362.437 3.293 20 0 FGADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CCCCC[C@@H]1/C=C/c1ccccc1 ZINC000823465976 606626481 /nfs/dbraw/zinc/62/64/81/606626481.db2.gz DHQKPSGMNFVITQ-SXSDINLZSA-N -1 3 362.437 3.293 20 0 FGADHM C[C@@H](Nc1ncccc1-c1nnn[n-]1)c1cccc(OC(F)(F)F)c1 ZINC000820461325 606634553 /nfs/dbraw/zinc/63/45/53/606634553.db2.gz HKXXUQVWIUWBHZ-SECBINFHSA-N -1 3 350.304 3.333 20 0 FGADHM C[C@@H](Nc1ncccc1-c1nn[n-]n1)c1cccc(OC(F)(F)F)c1 ZINC000820461325 606634554 /nfs/dbraw/zinc/63/45/54/606634554.db2.gz HKXXUQVWIUWBHZ-SECBINFHSA-N -1 3 350.304 3.333 20 0 FGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@H]2CCC[C@H]21 ZINC000820151213 606656924 /nfs/dbraw/zinc/65/69/24/606656924.db2.gz CVXSRPVRBSDQBT-CZUORRHYSA-N -1 3 370.457 3.450 20 0 FGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@H]2CCC[C@H]21 ZINC000820151213 606656925 /nfs/dbraw/zinc/65/69/25/606656925.db2.gz CVXSRPVRBSDQBT-CZUORRHYSA-N -1 3 370.457 3.450 20 0 FGADHM CC[C@@H](CNC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000820909023 606663713 /nfs/dbraw/zinc/66/37/13/606663713.db2.gz SIKWRFKSAPHWMT-NSHDSACASA-N -1 3 357.364 3.069 20 0 FGADHM CC[C@@H](CNC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000820909023 606663714 /nfs/dbraw/zinc/66/37/14/606663714.db2.gz SIKWRFKSAPHWMT-NSHDSACASA-N -1 3 357.364 3.069 20 0 FGADHM Cc1sc(NC(=O)[C@@H]2C[C@H]2Cc2ccccc2)c(-c2nnn[n-]2)c1C ZINC000822556210 606664724 /nfs/dbraw/zinc/66/47/24/606664724.db2.gz ANKVZYKSCQURHA-ZIAGYGMSSA-N -1 3 353.451 3.362 20 0 FGADHM Cc1sc(NC(=O)[C@@H]2C[C@H]2Cc2ccccc2)c(-c2nn[n-]n2)c1C ZINC000822556210 606664725 /nfs/dbraw/zinc/66/47/25/606664725.db2.gz ANKVZYKSCQURHA-ZIAGYGMSSA-N -1 3 353.451 3.362 20 0 FGADHM CCC[C@H](NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000821020324 606665980 /nfs/dbraw/zinc/66/59/80/606665980.db2.gz ARLHKMUWKARVOD-HNNXBMFYSA-N -1 3 357.364 3.416 20 0 FGADHM CCC[C@H](NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000821020324 606665981 /nfs/dbraw/zinc/66/59/81/606665981.db2.gz ARLHKMUWKARVOD-HNNXBMFYSA-N -1 3 357.364 3.416 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@H]1C[C@@H]1Cc1ccccc1 ZINC000821389318 606666168 /nfs/dbraw/zinc/66/61/68/606666168.db2.gz IWKJZZBPBZRYMF-HOTGVXAUSA-N -1 3 364.405 3.050 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@H]1C[C@@H]1Cc1ccccc1 ZINC000821389318 606666169 /nfs/dbraw/zinc/66/61/69/606666169.db2.gz IWKJZZBPBZRYMF-HOTGVXAUSA-N -1 3 364.405 3.050 20 0 FGADHM CCN(C(=O)Cc1ccc(F)cc1F)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821153364 606670304 /nfs/dbraw/zinc/67/03/04/606670304.db2.gz ACOXNGVCRXVBFN-LBPRGKRZSA-N -1 3 371.391 3.297 20 0 FGADHM CCN(C(=O)Cc1ccc(F)cc1F)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821153364 606670305 /nfs/dbraw/zinc/67/03/05/606670305.db2.gz ACOXNGVCRXVBFN-LBPRGKRZSA-N -1 3 371.391 3.297 20 0 FGADHM C[C@@H]1CCN(C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c2ccccc21 ZINC000820716288 606671862 /nfs/dbraw/zinc/67/18/62/606671862.db2.gz IIULCRAVKFLUSF-SNVBAGLBSA-N -1 3 355.348 3.299 20 0 FGADHM C[C@@H]1CCN(C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c2ccccc21 ZINC000820716288 606671863 /nfs/dbraw/zinc/67/18/63/606671863.db2.gz IIULCRAVKFLUSF-SNVBAGLBSA-N -1 3 355.348 3.299 20 0 FGADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCCC1CCC1 ZINC000820086885 606675929 /nfs/dbraw/zinc/67/59/29/606675929.db2.gz HTSWZAVBWLGGDA-UHFFFAOYSA-N -1 3 356.474 3.225 20 0 FGADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCC1CCC1 ZINC000820086885 606675930 /nfs/dbraw/zinc/67/59/30/606675930.db2.gz HTSWZAVBWLGGDA-UHFFFAOYSA-N -1 3 356.474 3.225 20 0 FGADHM O=C(Nc1ccccc1OCC1CC1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823373422 606682294 /nfs/dbraw/zinc/68/22/94/606682294.db2.gz ZHIOKQJZEXDJAP-UHFFFAOYSA-N -1 3 371.347 3.186 20 0 FGADHM O=C(Nc1ccccc1OCC1CC1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823373422 606682295 /nfs/dbraw/zinc/68/22/95/606682295.db2.gz ZHIOKQJZEXDJAP-UHFFFAOYSA-N -1 3 371.347 3.186 20 0 FGADHM C[C@@H](OC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1cc(F)cc(F)c1 ZINC000820503207 606686515 /nfs/dbraw/zinc/68/65/15/606686515.db2.gz YOOCUIXGTKHRJS-SSDOTTSWSA-N -1 3 366.274 3.341 20 0 FGADHM C[C@@H](OC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1cc(F)cc(F)c1 ZINC000820503207 606686516 /nfs/dbraw/zinc/68/65/16/606686516.db2.gz YOOCUIXGTKHRJS-SSDOTTSWSA-N -1 3 366.274 3.341 20 0 FGADHM CCCCCC(C)(C)CNC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821043449 606687121 /nfs/dbraw/zinc/68/71/21/606687121.db2.gz PZBUCYXZLTWYDL-UHFFFAOYSA-N -1 3 351.401 3.481 20 0 FGADHM CCCCCC(C)(C)CNC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821043449 606687122 /nfs/dbraw/zinc/68/71/22/606687122.db2.gz PZBUCYXZLTWYDL-UHFFFAOYSA-N -1 3 351.401 3.481 20 0 FGADHM C[C@H](NC(=O)c1cc(-c2nnn[n-]2)cs1)c1cccc(N2CCCC2)c1 ZINC000820390838 606691724 /nfs/dbraw/zinc/69/17/24/606691724.db2.gz LPRFYGROQSIWRO-LBPRGKRZSA-N -1 3 368.466 3.019 20 0 FGADHM C[C@H](NC(=O)c1cc(-c2nn[n-]n2)cs1)c1cccc(N2CCCC2)c1 ZINC000820390838 606691725 /nfs/dbraw/zinc/69/17/25/606691725.db2.gz LPRFYGROQSIWRO-LBPRGKRZSA-N -1 3 368.466 3.019 20 0 FGADHM C[C@@]1(c2ccccc2)CCN(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000820637556 606697185 /nfs/dbraw/zinc/69/71/85/606697185.db2.gz ZLBOXKKXTXXXFA-LJQANCHMSA-N -1 3 366.400 3.201 20 0 FGADHM C[C@@]1(c2ccccc2)CCN(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000820637556 606697186 /nfs/dbraw/zinc/69/71/86/606697186.db2.gz ZLBOXKKXTXXXFA-LJQANCHMSA-N -1 3 366.400 3.201 20 0 FGADHM Fc1ccc(-c2noc(COc3cc(Cl)ccc3-c3nnn[n-]3)n2)cc1 ZINC000822761291 606783222 /nfs/dbraw/zinc/78/32/22/606783222.db2.gz GZLVDCRGFDGBCG-UHFFFAOYSA-N -1 3 372.747 3.288 20 0 FGADHM Fc1ccc(-c2noc(COc3cc(Cl)ccc3-c3nn[n-]n3)n2)cc1 ZINC000822761291 606783227 /nfs/dbraw/zinc/78/32/27/606783227.db2.gz GZLVDCRGFDGBCG-UHFFFAOYSA-N -1 3 372.747 3.288 20 0 FGADHM O=C(c1ccc(-c2nnn[n-]2)cc1)N1CCC(=Cc2ccccc2F)CC1 ZINC000823478104 606813381 /nfs/dbraw/zinc/81/33/81/606813381.db2.gz GOQLULVCGJPUDO-UHFFFAOYSA-N -1 3 363.396 3.325 20 0 FGADHM O=C(c1ccc(-c2nn[n-]n2)cc1)N1CCC(=Cc2ccccc2F)CC1 ZINC000823478104 606813383 /nfs/dbraw/zinc/81/33/83/606813383.db2.gz GOQLULVCGJPUDO-UHFFFAOYSA-N -1 3 363.396 3.325 20 0 FGADHM O=C(Nc1ccccc1CCC(F)(F)F)c1ccc(-c2nnn[n-]2)cn1 ZINC000823372382 606816222 /nfs/dbraw/zinc/81/62/22/606816222.db2.gz AEPNOYCATGFXMH-UHFFFAOYSA-N -1 3 362.315 3.009 20 0 FGADHM O=C(Nc1ccccc1CCC(F)(F)F)c1ccc(-c2nn[n-]n2)cn1 ZINC000823372382 606816223 /nfs/dbraw/zinc/81/62/23/606816223.db2.gz AEPNOYCATGFXMH-UHFFFAOYSA-N -1 3 362.315 3.009 20 0 FGADHM CN(c1nc(CSc2ccc(-c3nnn[n-]3)cc2F)cs1)C1CC1 ZINC000821619350 606822228 /nfs/dbraw/zinc/82/22/28/606822228.db2.gz RWTMBBAVTTZBKI-UHFFFAOYSA-N -1 3 362.459 3.353 20 0 FGADHM CN(c1nc(CSc2ccc(-c3nn[n-]n3)cc2F)cs1)C1CC1 ZINC000821619350 606822229 /nfs/dbraw/zinc/82/22/29/606822229.db2.gz RWTMBBAVTTZBKI-UHFFFAOYSA-N -1 3 362.459 3.353 20 0 FGADHM CC[C@H]1CCC[C@@H]1NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000820972020 606837410 /nfs/dbraw/zinc/83/74/10/606837410.db2.gz JLEGOSVXUPYCII-YOEHRIQHSA-N -1 3 354.458 3.119 20 0 FGADHM CC[C@H]1CCC[C@@H]1NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000820972020 606837411 /nfs/dbraw/zinc/83/74/11/606837411.db2.gz JLEGOSVXUPYCII-YOEHRIQHSA-N -1 3 354.458 3.119 20 0 FGADHM COc1cc(C)cc(OC)c1OCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000821708644 606837566 /nfs/dbraw/zinc/83/75/66/606837566.db2.gz UVZGNWXTSBBHAB-UHFFFAOYSA-N -1 3 370.409 3.040 20 0 FGADHM COc1cc(C)cc(OC)c1OCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000821708644 606837568 /nfs/dbraw/zinc/83/75/68/606837568.db2.gz UVZGNWXTSBBHAB-UHFFFAOYSA-N -1 3 370.409 3.040 20 0 FGADHM CC(C)c1nc(CSCCCOc2cccc(-c3nnn[n-]3)c2)no1 ZINC000820203302 606840654 /nfs/dbraw/zinc/84/06/54/606840654.db2.gz RXODQLDHHOMJEY-UHFFFAOYSA-N -1 3 360.443 3.075 20 0 FGADHM CC(C)c1nc(CSCCCOc2cccc(-c3nn[n-]n3)c2)no1 ZINC000820203302 606840655 /nfs/dbraw/zinc/84/06/55/606840655.db2.gz RXODQLDHHOMJEY-UHFFFAOYSA-N -1 3 360.443 3.075 20 0 FGADHM CC(C)(C)c1noc(CSCCCOc2cccc(-c3nnn[n-]3)c2)n1 ZINC000819971687 606840739 /nfs/dbraw/zinc/84/07/39/606840739.db2.gz RCPFSGUMTYOAPS-UHFFFAOYSA-N -1 3 374.470 3.250 20 0 FGADHM CC(C)(C)c1noc(CSCCCOc2cccc(-c3nn[n-]n3)c2)n1 ZINC000819971687 606840740 /nfs/dbraw/zinc/84/07/40/606840740.db2.gz RCPFSGUMTYOAPS-UHFFFAOYSA-N -1 3 374.470 3.250 20 0 FGADHM CCc1noc([C@@H](C)SCCCOc2cccc(-c3nnn[n-]3)c2)n1 ZINC000821554494 606843054 /nfs/dbraw/zinc/84/30/54/606843054.db2.gz NLFBOVOYKIWPGX-LLVKDONJSA-N -1 3 360.443 3.075 20 0 FGADHM CCc1noc([C@@H](C)SCCCOc2cccc(-c3nn[n-]n3)c2)n1 ZINC000821554494 606843055 /nfs/dbraw/zinc/84/30/55/606843055.db2.gz NLFBOVOYKIWPGX-LLVKDONJSA-N -1 3 360.443 3.075 20 0 FGADHM C[C@@H](NC(=O)C1(Cc2ccccc2)CCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820321637 606860686 /nfs/dbraw/zinc/86/06/86/606860686.db2.gz KACCLINOHZNSBL-OAHLLOKOSA-N -1 3 361.449 3.457 20 0 FGADHM C[C@@H](NC(=O)C1(Cc2ccccc2)CCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820321637 606860687 /nfs/dbraw/zinc/86/06/87/606860687.db2.gz KACCLINOHZNSBL-OAHLLOKOSA-N -1 3 361.449 3.457 20 0 FGADHM CC(=O)Nc1ccc(SCCCOc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000819818059 606865017 /nfs/dbraw/zinc/86/50/17/606865017.db2.gz PBBCLLREDFCCMR-UHFFFAOYSA-N -1 3 369.450 3.386 20 0 FGADHM CC(=O)Nc1ccc(SCCCOc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000819818059 606865019 /nfs/dbraw/zinc/86/50/19/606865019.db2.gz PBBCLLREDFCCMR-UHFFFAOYSA-N -1 3 369.450 3.386 20 0 FGADHM CC[C@H](S[C@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000820939556 606874296 /nfs/dbraw/zinc/87/42/96/606874296.db2.gz WHLGJFDVPUVUPD-HOTGVXAUSA-N -1 3 353.451 3.278 20 0 FGADHM CC[C@H](S[C@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000820939556 606874298 /nfs/dbraw/zinc/87/42/98/606874298.db2.gz WHLGJFDVPUVUPD-HOTGVXAUSA-N -1 3 353.451 3.278 20 0 FGADHM C[C@@H]1CCN(C[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)c2ccccc2S1 ZINC000820722034 606918667 /nfs/dbraw/zinc/91/86/67/606918667.db2.gz CUZSSGPUBCTPPK-CXAGYDPISA-N -1 3 367.478 3.291 20 0 FGADHM C[C@@H]1CCN(C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)c2ccccc2S1 ZINC000820722034 606918668 /nfs/dbraw/zinc/91/86/68/606918668.db2.gz CUZSSGPUBCTPPK-CXAGYDPISA-N -1 3 367.478 3.291 20 0 FGADHM CCc1nnc(N[C@@H](C)c2c(F)cccc2F)c(-c2nnn[n-]2)c1CC ZINC000821529140 606922413 /nfs/dbraw/zinc/92/24/13/606922413.db2.gz TXYNTLMANVWQKY-VIFPVBQESA-N -1 3 359.384 3.233 20 0 FGADHM CCc1nnc(N[C@@H](C)c2c(F)cccc2F)c(-c2nn[n-]n2)c1CC ZINC000821529140 606922415 /nfs/dbraw/zinc/92/24/15/606922415.db2.gz TXYNTLMANVWQKY-VIFPVBQESA-N -1 3 359.384 3.233 20 0 FGADHM C[C@@H](OC(=O)c1ccn(C2CCCC2)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820512670 606924800 /nfs/dbraw/zinc/92/48/00/606924800.db2.gz MVGULVJKWPSVND-GFCCVEGCSA-N -1 3 352.398 3.096 20 0 FGADHM C[C@@H](OC(=O)c1ccn(C2CCCC2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820512670 606924801 /nfs/dbraw/zinc/92/48/01/606924801.db2.gz MVGULVJKWPSVND-GFCCVEGCSA-N -1 3 352.398 3.096 20 0 FGADHM CCOc1cc2c(cc1NCc1ccc(F)c(-c3nnn[n-]3)c1)O[C@H](C)C2 ZINC000821400380 606928906 /nfs/dbraw/zinc/92/89/06/606928906.db2.gz ITZPEPVJFIXQFR-LLVKDONJSA-N -1 3 369.400 3.340 20 0 FGADHM CCOc1cc2c(cc1NCc1ccc(F)c(-c3nn[n-]n3)c1)O[C@H](C)C2 ZINC000821400380 606928908 /nfs/dbraw/zinc/92/89/08/606928908.db2.gz ITZPEPVJFIXQFR-LLVKDONJSA-N -1 3 369.400 3.340 20 0 FGADHM CCc1nnc(Nc2cccc([C@H](C)OC)c2)c(-c2nnn[n-]2)c1CC ZINC000821548586 606931233 /nfs/dbraw/zinc/93/12/33/606931233.db2.gz OXNPEUSBNZDHKC-NSHDSACASA-N -1 3 353.430 3.233 20 0 FGADHM CCc1nnc(Nc2cccc([C@H](C)OC)c2)c(-c2nn[n-]n2)c1CC ZINC000821548586 606931235 /nfs/dbraw/zinc/93/12/35/606931235.db2.gz OXNPEUSBNZDHKC-NSHDSACASA-N -1 3 353.430 3.233 20 0 FGADHM CCc1nnc(N2C[C@H](c3ccccc3)C[C@H]2C)c(-c2nnn[n-]2)c1CC ZINC000821520884 606935337 /nfs/dbraw/zinc/93/53/37/606935337.db2.gz BLPSOWNCFAGCJS-UKRRQHHQSA-N -1 3 363.469 3.164 20 0 FGADHM CCc1nnc(N2C[C@H](c3ccccc3)C[C@H]2C)c(-c2nn[n-]n2)c1CC ZINC000821520884 606935339 /nfs/dbraw/zinc/93/53/39/606935339.db2.gz BLPSOWNCFAGCJS-UKRRQHHQSA-N -1 3 363.469 3.164 20 0 FGADHM OCCC1(CNc2ccc(C(F)(F)F)cc2-c2nnn[n-]2)CCCC1 ZINC000823718002 606940918 /nfs/dbraw/zinc/94/09/18/606940918.db2.gz OYDZBEKPDPITDM-UHFFFAOYSA-N -1 3 355.364 3.240 20 0 FGADHM OCCC1(CNc2ccc(C(F)(F)F)cc2-c2nn[n-]n2)CCCC1 ZINC000823718002 606940919 /nfs/dbraw/zinc/94/09/19/606940919.db2.gz OYDZBEKPDPITDM-UHFFFAOYSA-N -1 3 355.364 3.240 20 0 FGADHM C[C@H](C(=O)OCCCOc1cccc(-c2nnn[n-]2)c1)c1ccccc1F ZINC000819882613 606947946 /nfs/dbraw/zinc/94/79/46/606947946.db2.gz BWRDHBIKTGZHJB-ZDUSSCGKSA-N -1 3 370.384 3.122 20 0 FGADHM C[C@H](C(=O)OCCCOc1cccc(-c2nn[n-]n2)c1)c1ccccc1F ZINC000819882613 606947948 /nfs/dbraw/zinc/94/79/48/606947948.db2.gz BWRDHBIKTGZHJB-ZDUSSCGKSA-N -1 3 370.384 3.122 20 0 FGADHM C[C@H]1CC[C@H](C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCCC3)O1 ZINC000820677311 606956669 /nfs/dbraw/zinc/95/66/69/606956669.db2.gz QPEVDVAVBWVOKM-CMPLNLGQSA-N -1 3 361.471 3.093 20 0 FGADHM C[C@H]1CC[C@H](C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCCC3)O1 ZINC000820677311 606956671 /nfs/dbraw/zinc/95/66/71/606956671.db2.gz QPEVDVAVBWVOKM-CMPLNLGQSA-N -1 3 361.471 3.093 20 0 FGADHM CC[C@@]1(C)CCN(C(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)C1 ZINC000820949554 606957404 /nfs/dbraw/zinc/95/74/04/606957404.db2.gz CJGQOGLDRPWMFS-IBGZPJMESA-N -1 3 357.458 3.064 20 0 FGADHM CC[C@@]1(C)CCN(C(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)C1 ZINC000820949554 606957406 /nfs/dbraw/zinc/95/74/06/606957406.db2.gz CJGQOGLDRPWMFS-IBGZPJMESA-N -1 3 357.458 3.064 20 0 FGADHM CCC1(CC)[C@H](OC)C[C@@H]1N(C)C(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000820957053 606978196 /nfs/dbraw/zinc/97/81/96/606978196.db2.gz MPYYZZAMEAJNGT-LSDHHAIUSA-N -1 3 374.514 3.089 20 0 FGADHM CCC1(CC)[C@H](OC)C[C@@H]1N(C)C(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000820957053 606978198 /nfs/dbraw/zinc/97/81/98/606978198.db2.gz MPYYZZAMEAJNGT-LSDHHAIUSA-N -1 3 374.514 3.089 20 0 FGADHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)Oc1ccc(Cl)cc1 ZINC000820005752 606985309 /nfs/dbraw/zinc/98/53/09/606985309.db2.gz XKHUHBKFDNEVCV-UHFFFAOYSA-N -1 3 358.785 3.283 20 0 FGADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Oc1ccc(Cl)cc1 ZINC000820005752 606985310 /nfs/dbraw/zinc/98/53/10/606985310.db2.gz XKHUHBKFDNEVCV-UHFFFAOYSA-N -1 3 358.785 3.283 20 0 FGADHM Cc1ccccc1OCCCC(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822366962 606993863 /nfs/dbraw/zinc/99/38/63/606993863.db2.gz XWCNNYHJBBLXBR-UHFFFAOYSA-N -1 3 370.384 3.217 20 0 FGADHM Cc1ccccc1OCCCC(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822366962 606993865 /nfs/dbraw/zinc/99/38/65/606993865.db2.gz XWCNNYHJBBLXBR-UHFFFAOYSA-N -1 3 370.384 3.217 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc2cc(O)ccc2c1 ZINC000823427104 606994291 /nfs/dbraw/zinc/99/42/91/606994291.db2.gz WLHVBNFDOKYVGE-UHFFFAOYSA-N -1 3 364.336 3.222 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc2cc(O)ccc2c1 ZINC000823427104 606994292 /nfs/dbraw/zinc/99/42/92/606994292.db2.gz WLHVBNFDOKYVGE-UHFFFAOYSA-N -1 3 364.336 3.222 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000823421984 607000732 /nfs/dbraw/zinc/00/07/32/607000732.db2.gz LZIRRCSEFQZRST-RYUDHWBXSA-N -1 3 374.322 3.131 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000823421984 607000733 /nfs/dbraw/zinc/00/07/33/607000733.db2.gz LZIRRCSEFQZRST-RYUDHWBXSA-N -1 3 374.322 3.131 20 0 FGADHM CC[C@@H](Oc1ccccc1C)C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820937654 607001336 /nfs/dbraw/zinc/00/13/36/607001336.db2.gz BINPXERMGIJYLK-MRXNPFEDSA-N -1 3 370.384 3.215 20 0 FGADHM CC[C@@H](Oc1ccccc1C)C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820937654 607001339 /nfs/dbraw/zinc/00/13/39/607001339.db2.gz BINPXERMGIJYLK-MRXNPFEDSA-N -1 3 370.384 3.215 20 0 FGADHM CC(C)[C@@H](C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000820016703 607001519 /nfs/dbraw/zinc/00/15/19/607001519.db2.gz OKWOWFOLHRUVMB-QGZVFWFLSA-N -1 3 354.385 3.489 20 0 FGADHM CC(C)[C@@H](C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000820016703 607001521 /nfs/dbraw/zinc/00/15/21/607001521.db2.gz OKWOWFOLHRUVMB-QGZVFWFLSA-N -1 3 354.385 3.489 20 0 FGADHM Cc1c(C(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)cnc2ccccc12 ZINC000822020987 607002149 /nfs/dbraw/zinc/00/21/49/607002149.db2.gz QJKAMCFSJBNVCO-UHFFFAOYSA-N -1 3 363.352 3.219 20 0 FGADHM Cc1c(C(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)cnc2ccccc12 ZINC000822020987 607002150 /nfs/dbraw/zinc/00/21/50/607002150.db2.gz QJKAMCFSJBNVCO-UHFFFAOYSA-N -1 3 363.352 3.219 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)[C@H]1CCSc2ccccc21 ZINC000823422378 607002553 /nfs/dbraw/zinc/00/25/53/607002553.db2.gz SMBPUKCDIOCASH-ZDUSSCGKSA-N -1 3 370.409 3.329 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)[C@H]1CCSc2ccccc21 ZINC000823422378 607002555 /nfs/dbraw/zinc/00/25/55/607002555.db2.gz SMBPUKCDIOCASH-ZDUSSCGKSA-N -1 3 370.409 3.329 20 0 FGADHM COC(=O)c1ccc(OCc2ccc(F)c(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000821669662 607006836 /nfs/dbraw/zinc/00/68/36/607006836.db2.gz WYPJDJODSLWIAI-UHFFFAOYSA-N -1 3 362.748 3.025 20 0 FGADHM COC(=O)c1ccc(OCc2ccc(F)c(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000821669662 607006838 /nfs/dbraw/zinc/00/68/38/607006838.db2.gz WYPJDJODSLWIAI-UHFFFAOYSA-N -1 3 362.748 3.025 20 0 FGADHM FC(F)(F)[C@@H](Cc1ccccc1)NCc1ccc(-c2nnn[n-]2)s1 ZINC000822714341 607008251 /nfs/dbraw/zinc/00/82/51/607008251.db2.gz LLHLAQIKWQRSBN-CYBMUJFWSA-N -1 3 353.373 3.191 20 0 FGADHM C[C@@H]1CCc2ccccc2N1C(=O)CSc1cccc(-c2nnn[n-]2)c1 ZINC000820736428 607010059 /nfs/dbraw/zinc/01/00/59/607010059.db2.gz ZJSKNYRBYHMIAI-CYBMUJFWSA-N -1 3 365.462 3.327 20 0 FGADHM C[C@@H]1CCc2ccccc2N1C(=O)CSc1cccc(-c2nn[n-]n2)c1 ZINC000820736428 607010060 /nfs/dbraw/zinc/01/00/60/607010060.db2.gz ZJSKNYRBYHMIAI-CYBMUJFWSA-N -1 3 365.462 3.327 20 0 FGADHM COc1ccc(-c2noc(CSc3cccc(-c4nnn[n-]4)c3)n2)cc1 ZINC000821765647 607015578 /nfs/dbraw/zinc/01/55/78/607015578.db2.gz IMRMTUNKIXTUQR-UHFFFAOYSA-N -1 3 366.406 3.218 20 0 FGADHM COc1ccc(-c2noc(CSc3cccc(-c4nn[n-]n4)c3)n2)cc1 ZINC000821765647 607015579 /nfs/dbraw/zinc/01/55/79/607015579.db2.gz IMRMTUNKIXTUQR-UHFFFAOYSA-N -1 3 366.406 3.218 20 0 FGADHM O=C1[C@@H](Sc2cccc(-c3nnn[n-]3)c2)CCCN1c1ccccc1 ZINC000823514228 607016252 /nfs/dbraw/zinc/01/62/52/607016252.db2.gz XXBAINGRUZYLGI-INIZCTEOSA-N -1 3 351.435 3.154 20 0 FGADHM O=C1[C@@H](Sc2cccc(-c3nn[n-]n3)c2)CCCN1c1ccccc1 ZINC000823514228 607016253 /nfs/dbraw/zinc/01/62/53/607016253.db2.gz XXBAINGRUZYLGI-INIZCTEOSA-N -1 3 351.435 3.154 20 0 FGADHM Fc1ccc(-c2nnn[n-]2)c(Cn2c3ccccc3nc2C(F)(F)F)c1 ZINC000822757827 607026832 /nfs/dbraw/zinc/02/68/32/607026832.db2.gz FXNUXHKXESTPNA-UHFFFAOYSA-N -1 3 362.290 3.423 20 0 FGADHM Fc1ccc(-c2nn[n-]n2)c(Cn2c3ccccc3nc2C(F)(F)F)c1 ZINC000822757827 607026833 /nfs/dbraw/zinc/02/68/33/607026833.db2.gz FXNUXHKXESTPNA-UHFFFAOYSA-N -1 3 362.290 3.423 20 0 FGADHM Cc1ccc(NC(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1-c1ncco1 ZINC000822248750 607027932 /nfs/dbraw/zinc/02/79/32/607027932.db2.gz MGOSWHWVFYOVIE-UHFFFAOYSA-N -1 3 360.377 3.011 20 0 FGADHM Cc1ccc(NC(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1-c1ncco1 ZINC000822248750 607027934 /nfs/dbraw/zinc/02/79/34/607027934.db2.gz MGOSWHWVFYOVIE-UHFFFAOYSA-N -1 3 360.377 3.011 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc2ccsc2[nH]1 ZINC000821122899 607043074 /nfs/dbraw/zinc/04/30/74/607043074.db2.gz BJONKVDHWKGSJT-UHFFFAOYSA-N -1 3 367.438 3.484 20 0 FGADHM COc1ccc(CNC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c(C)c1 ZINC000821798866 607060848 /nfs/dbraw/zinc/06/08/48/607060848.db2.gz QXMSKQQXTRHAJJ-UHFFFAOYSA-N -1 3 372.816 3.159 20 0 FGADHM COc1ccc(CNC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c(C)c1 ZINC000821798866 607060849 /nfs/dbraw/zinc/06/08/49/607060849.db2.gz QXMSKQQXTRHAJJ-UHFFFAOYSA-N -1 3 372.816 3.159 20 0 FGADHM Cc1cccc(OCCCC(=O)OCc2cc(F)ccc2-c2nnn[n-]2)c1 ZINC000822327746 607071974 /nfs/dbraw/zinc/07/19/74/607071974.db2.gz JTRKWTCTTWWQLE-UHFFFAOYSA-N -1 3 370.384 3.217 20 0 FGADHM Cc1cccc(OCCCC(=O)OCc2cc(F)ccc2-c2nn[n-]n2)c1 ZINC000822327746 607071976 /nfs/dbraw/zinc/07/19/76/607071976.db2.gz JTRKWTCTTWWQLE-UHFFFAOYSA-N -1 3 370.384 3.217 20 0 FGADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H]1CCCc2ccccc21 ZINC000821293205 607099531 /nfs/dbraw/zinc/09/95/31/607099531.db2.gz IBFLHCSXUFXTPQ-INIZCTEOSA-N -1 3 362.437 3.357 20 0 FGADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc2cc(F)ccc2o1 ZINC000821304256 607100606 /nfs/dbraw/zinc/10/06/06/607100606.db2.gz CMNNASHZPIGROS-UHFFFAOYSA-N -1 3 366.356 3.436 20 0 FGADHM C[C@]1(c2ccccc2)CN(c2nc3ccccc3cc2-c2nnn[n-]2)CCO1 ZINC000820637554 607115767 /nfs/dbraw/zinc/11/57/67/607115767.db2.gz ZKUAMJMMINZHSZ-OAQYLSRUSA-N -1 3 372.432 3.167 20 0 FGADHM C[C@]1(c2ccccc2)CN(c2nc3ccccc3cc2-c2nn[n-]n2)CCO1 ZINC000820637554 607115768 /nfs/dbraw/zinc/11/57/68/607115768.db2.gz ZKUAMJMMINZHSZ-OAQYLSRUSA-N -1 3 372.432 3.167 20 0 FGADHM O=C(Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1)[C@H]1CC12CCC2 ZINC000823382621 607121154 /nfs/dbraw/zinc/12/11/54/607121154.db2.gz AZLYICXZNOTMPX-CQSZACIVSA-N -1 3 366.450 3.043 20 0 FGADHM O=C(Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1)[C@H]1CC12CCC2 ZINC000823382621 607121156 /nfs/dbraw/zinc/12/11/56/607121156.db2.gz AZLYICXZNOTMPX-CQSZACIVSA-N -1 3 366.450 3.043 20 0 FGADHM S=C(Nc1ccccc1-c1nnn[n-]1)N[C@H]1CCOC2(CCCCC2)C1 ZINC000823738172 607121640 /nfs/dbraw/zinc/12/16/40/607121640.db2.gz OVHLUGNYNHLDFT-ZDUSSCGKSA-N -1 3 372.498 3.035 20 0 FGADHM S=C(Nc1ccccc1-c1nn[n-]n1)N[C@H]1CCOC2(CCCCC2)C1 ZINC000823738172 607121641 /nfs/dbraw/zinc/12/16/41/607121641.db2.gz OVHLUGNYNHLDFT-ZDUSSCGKSA-N -1 3 372.498 3.035 20 0 FGADHM Fc1ccc(OC(F)F)c(NCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822782953 607126230 /nfs/dbraw/zinc/12/62/30/607126230.db2.gz NGNHKGPVVADUHD-UHFFFAOYSA-N -1 3 365.315 3.098 20 0 FGADHM Fc1ccc(OC(F)F)c(NCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822782953 607126232 /nfs/dbraw/zinc/12/62/32/607126232.db2.gz NGNHKGPVVADUHD-UHFFFAOYSA-N -1 3 365.315 3.098 20 0 FGADHM CCCOc1cc(F)ccc1NC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000821128479 607138697 /nfs/dbraw/zinc/13/86/97/607138697.db2.gz VDERKHLXZZSJBN-UHFFFAOYSA-N -1 3 370.388 3.116 20 0 FGADHM CCCOc1cc(F)ccc1NC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000821128479 607138698 /nfs/dbraw/zinc/13/86/98/607138698.db2.gz VDERKHLXZZSJBN-UHFFFAOYSA-N -1 3 370.388 3.116 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)c1ccc(F)c(Cl)c1 ZINC000821388940 607156299 /nfs/dbraw/zinc/15/62/99/607156299.db2.gz BVCGLGZYPANHSP-UHFFFAOYSA-N -1 3 362.748 3.277 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)c1ccc(F)c(Cl)c1 ZINC000821388940 607156300 /nfs/dbraw/zinc/15/63/00/607156300.db2.gz BVCGLGZYPANHSP-UHFFFAOYSA-N -1 3 362.748 3.277 20 0 FGADHM Clc1ccc(NCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)cc1 ZINC000822578601 607164970 /nfs/dbraw/zinc/16/49/70/607164970.db2.gz LNODAIVQPVPSRR-UHFFFAOYSA-N -1 3 353.773 3.182 20 0 FGADHM Clc1ccc(NCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)cc1 ZINC000822578601 607164972 /nfs/dbraw/zinc/16/49/72/607164972.db2.gz LNODAIVQPVPSRR-UHFFFAOYSA-N -1 3 353.773 3.182 20 0 FGADHM O=C(c1ccc(-c2nnn[n-]2)cc1)N1CCC[C@@H]1CCCc1ccccc1 ZINC000823478909 607165816 /nfs/dbraw/zinc/16/58/16/607165816.db2.gz WLVTZLIDQOVHGB-IBGZPJMESA-N -1 3 361.449 3.494 20 0 FGADHM O=C(c1ccc(-c2nn[n-]n2)cc1)N1CCC[C@@H]1CCCc1ccccc1 ZINC000823478909 607165817 /nfs/dbraw/zinc/16/58/17/607165817.db2.gz WLVTZLIDQOVHGB-IBGZPJMESA-N -1 3 361.449 3.494 20 0 FGADHM O=C(Cc1c[nH]c2ccccc12)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823074323 607190279 /nfs/dbraw/zinc/19/02/79/607190279.db2.gz PQNCUTIRURTLHV-UHFFFAOYSA-N -1 3 352.785 3.183 20 0 FGADHM O=C(Cc1c[nH]c2ccccc12)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823074323 607190280 /nfs/dbraw/zinc/19/02/80/607190280.db2.gz PQNCUTIRURTLHV-UHFFFAOYSA-N -1 3 352.785 3.183 20 0 FGADHM O=C(COc1ccc(Cl)cc1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823040177 607191352 /nfs/dbraw/zinc/19/13/52/607191352.db2.gz FAVNAGBTLCGOTQ-UHFFFAOYSA-N -1 3 364.192 3.191 20 0 FGADHM O=C(COc1ccc(Cl)cc1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823040177 607191353 /nfs/dbraw/zinc/19/13/53/607191353.db2.gz FAVNAGBTLCGOTQ-UHFFFAOYSA-N -1 3 364.192 3.191 20 0 FGADHM O=C(NCCCF)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000823187410 607194759 /nfs/dbraw/zinc/19/47/59/607194759.db2.gz KHCWYLSITAUOJV-UHFFFAOYSA-N -1 3 356.361 3.140 20 0 FGADHM O=C(NCCCF)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000823187410 607194760 /nfs/dbraw/zinc/19/47/60/607194760.db2.gz KHCWYLSITAUOJV-UHFFFAOYSA-N -1 3 356.361 3.140 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N1CCC[C@H]1c1ccco1 ZINC000823314127 607197876 /nfs/dbraw/zinc/19/78/76/607197876.db2.gz MFZPUBRQOVAOGX-ZDUSSCGKSA-N -1 3 358.789 3.482 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N1CCC[C@H]1c1ccco1 ZINC000823314127 607197877 /nfs/dbraw/zinc/19/78/77/607197877.db2.gz MFZPUBRQOVAOGX-ZDUSSCGKSA-N -1 3 358.789 3.482 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N[C@@H]1CCc2ccc(F)cc21 ZINC000823318381 607204756 /nfs/dbraw/zinc/20/47/56/607204756.db2.gz DPVRYOWZXCFNML-CQSZACIVSA-N -1 3 372.791 3.468 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N[C@@H]1CCc2ccc(F)cc21 ZINC000823318381 607204757 /nfs/dbraw/zinc/20/47/57/607204757.db2.gz DPVRYOWZXCFNML-CQSZACIVSA-N -1 3 372.791 3.468 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H]1CC2CCC1CC2 ZINC000821104507 607213985 /nfs/dbraw/zinc/21/39/85/607213985.db2.gz GTSJKJLLRBKWDT-JFUPDXTOSA-N -1 3 368.485 3.367 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1CC2CCC1CC2 ZINC000821104507 607213986 /nfs/dbraw/zinc/21/39/86/607213986.db2.gz GTSJKJLLRBKWDT-JFUPDXTOSA-N -1 3 368.485 3.367 20 0 FGADHM CC(C)C[C@H](NC(=O)c1ncc(-c2nnn[n-]2)cc1Cl)c1ccccc1 ZINC000820055292 607232585 /nfs/dbraw/zinc/23/25/85/607232585.db2.gz HUELXMXRAGEQJL-HNNXBMFYSA-N -1 3 370.844 3.432 20 0 FGADHM CC(C)C[C@H](NC(=O)c1ncc(-c2nn[n-]n2)cc1Cl)c1ccccc1 ZINC000820055292 607232586 /nfs/dbraw/zinc/23/25/86/607232586.db2.gz HUELXMXRAGEQJL-HNNXBMFYSA-N -1 3 370.844 3.432 20 0 FGADHM CCCCCC(=O)Oc1c(Br)cc(-c2nnn[n-]2)cc1OC ZINC000821043206 607239792 /nfs/dbraw/zinc/23/97/92/607239792.db2.gz NAZMFJMKTDBIPO-UHFFFAOYSA-N -1 3 369.219 3.124 20 0 FGADHM CCCCCC(=O)Oc1c(Br)cc(-c2nn[n-]n2)cc1OC ZINC000821043206 607239793 /nfs/dbraw/zinc/23/97/93/607239793.db2.gz NAZMFJMKTDBIPO-UHFFFAOYSA-N -1 3 369.219 3.124 20 0 FGADHM C[C@H](COc1ccccc1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820294039 607241182 /nfs/dbraw/zinc/24/11/82/607241182.db2.gz QKFATARBWPVCRS-LLVKDONJSA-N -1 3 357.801 3.174 20 0 FGADHM C[C@H](COc1ccccc1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820294039 607241183 /nfs/dbraw/zinc/24/11/83/607241183.db2.gz QKFATARBWPVCRS-LLVKDONJSA-N -1 3 357.801 3.174 20 0 FGADHM CCC(=O)c1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000820837518 607243578 /nfs/dbraw/zinc/24/35/78/607243578.db2.gz JNFLLWNYURTCOB-UHFFFAOYSA-N -1 3 355.785 3.365 20 0 FGADHM CCC(=O)c1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000820837518 607243579 /nfs/dbraw/zinc/24/35/79/607243579.db2.gz JNFLLWNYURTCOB-UHFFFAOYSA-N -1 3 355.785 3.365 20 0 FGADHM Cc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)nn1C(C)(C)C ZINC000822177241 607243716 /nfs/dbraw/zinc/24/37/16/607243716.db2.gz WPVKULRGFSHUSY-UHFFFAOYSA-N -1 3 359.821 3.032 20 0 FGADHM Cc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)nn1C(C)(C)C ZINC000822177241 607243717 /nfs/dbraw/zinc/24/37/17/607243717.db2.gz WPVKULRGFSHUSY-UHFFFAOYSA-N -1 3 359.821 3.032 20 0 FGADHM CCc1cccnc1NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000825728392 607781421 /nfs/dbraw/zinc/78/14/21/607781421.db2.gz OEYRKVIDAFXKFO-UHFFFAOYSA-N -1 3 366.425 3.012 20 0 FGADHM CCc1cccnc1NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000825728392 607781422 /nfs/dbraw/zinc/78/14/22/607781422.db2.gz OEYRKVIDAFXKFO-UHFFFAOYSA-N -1 3 366.425 3.012 20 0 FGADHM CCc1cccnc1NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825728711 607784056 /nfs/dbraw/zinc/78/40/56/607784056.db2.gz XAGNUJQEQIGXCW-UHFFFAOYSA-N -1 3 359.846 3.286 20 0 FGADHM CCc1cccnc1NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825728711 607784057 /nfs/dbraw/zinc/78/40/57/607784057.db2.gz XAGNUJQEQIGXCW-UHFFFAOYSA-N -1 3 359.846 3.286 20 0 FGADHM CCN(C(=O)C=C(C)c1cccc(OC)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367248 607796388 /nfs/dbraw/zinc/79/63/88/607796388.db2.gz LWGSSVAFGXITQH-WYMLVPIESA-N -1 3 363.421 3.332 20 0 FGADHM CCN(C(=O)C=C(C)c1cccc(OC)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367248 607796389 /nfs/dbraw/zinc/79/63/89/607796389.db2.gz LWGSSVAFGXITQH-WYMLVPIESA-N -1 3 363.421 3.332 20 0 FGADHM CCN(C(=O)C[C@H](C)c1ccccc1OC)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367061 607797204 /nfs/dbraw/zinc/79/72/04/607797204.db2.gz IOPHQKJRFSVFIQ-AWEZNQCLSA-N -1 3 365.437 3.422 20 0 FGADHM CCN(C(=O)C[C@H](C)c1ccccc1OC)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367061 607797205 /nfs/dbraw/zinc/79/72/05/607797205.db2.gz IOPHQKJRFSVFIQ-AWEZNQCLSA-N -1 3 365.437 3.422 20 0 FGADHM CCN(C(=O)c1nc(-c2ccccc2)oc1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825390895 607797711 /nfs/dbraw/zinc/79/77/11/607797711.db2.gz PCQYOZJZAZPHTD-UHFFFAOYSA-N -1 3 374.404 3.497 20 0 FGADHM CCN(C(=O)c1nc(-c2ccccc2)oc1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825390895 607797712 /nfs/dbraw/zinc/79/77/12/607797712.db2.gz PCQYOZJZAZPHTD-UHFFFAOYSA-N -1 3 374.404 3.497 20 0 FGADHM CCN(C(=O)[C@H]1C[C@H]1c1ccc(F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825366972 607799869 /nfs/dbraw/zinc/79/98/69/607799869.db2.gz HRSGYADCYJCLHJ-IRXDYDNUSA-N -1 3 351.385 3.162 20 0 FGADHM CCN(C(=O)[C@H]1C[C@H]1c1ccc(F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825366972 607799870 /nfs/dbraw/zinc/79/98/70/607799870.db2.gz HRSGYADCYJCLHJ-IRXDYDNUSA-N -1 3 351.385 3.162 20 0 FGADHM COc1ccc2cccc(CC(=O)Nc3ccccc3-c3nnn[n-]3)c2c1 ZINC000826213363 607826477 /nfs/dbraw/zinc/82/64/77/607826477.db2.gz UZKOAFSZKCCHJJ-UHFFFAOYSA-N -1 3 359.389 3.210 20 0 FGADHM COc1ccc2cccc(CC(=O)Nc3ccccc3-c3nn[n-]n3)c2c1 ZINC000826213363 607826478 /nfs/dbraw/zinc/82/64/78/607826478.db2.gz UZKOAFSZKCCHJJ-UHFFFAOYSA-N -1 3 359.389 3.210 20 0 FGADHM COc1ccc2cccc(CC(=O)Nc3sccc3-c3nnn[n-]3)c2c1 ZINC000826213553 607826611 /nfs/dbraw/zinc/82/66/11/607826611.db2.gz BHGDZFIRRRWFTR-UHFFFAOYSA-N -1 3 365.418 3.271 20 0 FGADHM COc1ccc2cccc(CC(=O)Nc3sccc3-c3nn[n-]n3)c2c1 ZINC000826213553 607826612 /nfs/dbraw/zinc/82/66/12/607826612.db2.gz BHGDZFIRRRWFTR-UHFFFAOYSA-N -1 3 365.418 3.271 20 0 FGADHM Cc1noc(C)c1[C@H](C)CC(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000826337764 607831013 /nfs/dbraw/zinc/83/10/13/607831013.db2.gz AHPGCJJJUOBAJD-SECBINFHSA-N -1 3 374.832 3.282 20 0 FGADHM Cc1noc(C)c1[C@H](C)CC(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000826337764 607831014 /nfs/dbraw/zinc/83/10/14/607831014.db2.gz AHPGCJJJUOBAJD-SECBINFHSA-N -1 3 374.832 3.282 20 0 FGADHM CCN(C(=O)c1ccnc(Cl)c1F)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825385349 607834104 /nfs/dbraw/zinc/83/41/04/607834104.db2.gz CWOZYBSXMKMXTC-SNVBAGLBSA-N -1 3 374.807 3.278 20 0 FGADHM CCN(C(=O)c1ccnc(Cl)c1F)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825385349 607834105 /nfs/dbraw/zinc/83/41/05/607834105.db2.gz CWOZYBSXMKMXTC-SNVBAGLBSA-N -1 3 374.807 3.278 20 0 FGADHM FC(F)(F)c1ccc(N2CC[C@@H](C3CCOCC3)C2)c(-c2nnn[n-]2)c1 ZINC000826368065 607851346 /nfs/dbraw/zinc/85/13/46/607851346.db2.gz AJJYDOHOLJVXRN-GFCCVEGCSA-N -1 3 367.375 3.138 20 0 FGADHM FC(F)(F)c1ccc(N2CC[C@@H](C3CCOCC3)C2)c(-c2nn[n-]n2)c1 ZINC000826368065 607851347 /nfs/dbraw/zinc/85/13/47/607851347.db2.gz AJJYDOHOLJVXRN-GFCCVEGCSA-N -1 3 367.375 3.138 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC[C@H](O)c1cccc(Cl)c1 ZINC000825610029 607871816 /nfs/dbraw/zinc/87/18/16/607871816.db2.gz WRXJVMPUWKYQPP-AWEZNQCLSA-N -1 3 360.801 3.031 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC[C@H](O)c1cccc(Cl)c1 ZINC000825610029 607871817 /nfs/dbraw/zinc/87/18/17/607871817.db2.gz WRXJVMPUWKYQPP-AWEZNQCLSA-N -1 3 360.801 3.031 20 0 FGADHM CCN(C(=O)[C@H](C)Oc1ccccc1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825362714 607878790 /nfs/dbraw/zinc/87/87/90/607878790.db2.gz QNMFZJWXIVXGHY-LBPRGKRZSA-N -1 3 371.828 3.341 20 0 FGADHM CCN(C(=O)[C@H](C)Oc1ccccc1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825362714 607878791 /nfs/dbraw/zinc/87/87/91/607878791.db2.gz QNMFZJWXIVXGHY-LBPRGKRZSA-N -1 3 371.828 3.341 20 0 FGADHM C[C@@H](Cc1cccc(Cl)c1)C(=O)N(C)c1cccc(-c2nnn[n-]2)c1 ZINC000824457822 607886429 /nfs/dbraw/zinc/88/64/29/607886429.db2.gz SPWDUMAGDMTIFB-LBPRGKRZSA-N -1 3 355.829 3.362 20 0 FGADHM C[C@@H](Cc1cccc(Cl)c1)C(=O)N(C)c1cccc(-c2nn[n-]n2)c1 ZINC000824457822 607886430 /nfs/dbraw/zinc/88/64/30/607886430.db2.gz SPWDUMAGDMTIFB-LBPRGKRZSA-N -1 3 355.829 3.362 20 0 FGADHM CC(C)[C@@H](C(=O)NCc1ccc(-c2nnn[n-]2)cc1F)c1ccc(F)cc1 ZINC000824184052 607894530 /nfs/dbraw/zinc/89/45/30/607894530.db2.gz CXCXJPAWQLQCAM-QGZVFWFLSA-N -1 3 371.391 3.201 20 0 FGADHM CC(C)[C@@H](C(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1ccc(F)cc1 ZINC000824184052 607894531 /nfs/dbraw/zinc/89/45/31/607894531.db2.gz CXCXJPAWQLQCAM-QGZVFWFLSA-N -1 3 371.391 3.201 20 0 FGADHM CC1=CCN(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CC1 ZINC000824853031 607918925 /nfs/dbraw/zinc/91/89/25/607918925.db2.gz VJNPMQBGYGCPOD-UHFFFAOYSA-N -1 3 352.320 3.069 20 0 FGADHM CC1=CCN(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CC1 ZINC000824853031 607918926 /nfs/dbraw/zinc/91/89/26/607918926.db2.gz VJNPMQBGYGCPOD-UHFFFAOYSA-N -1 3 352.320 3.069 20 0 FGADHM Cc1nc(C(C)C)sc1[C@H](C)N(C)Cc1ccnc(-c2nnn[n-]2)c1 ZINC000826323445 607926727 /nfs/dbraw/zinc/92/67/27/607926727.db2.gz DXMOHSNBFGEBKE-LBPRGKRZSA-N -1 3 357.487 3.343 20 0 FGADHM C[C@@H](Cc1cccc(Cl)c1)C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000824457345 607927025 /nfs/dbraw/zinc/92/70/25/607927025.db2.gz KENKRMBTIXHGJU-LBPRGKRZSA-N -1 3 355.829 3.362 20 0 FGADHM C[C@@H](Cc1cccc(Cl)c1)C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000824457345 607927026 /nfs/dbraw/zinc/92/70/26/607927026.db2.gz KENKRMBTIXHGJU-LBPRGKRZSA-N -1 3 355.829 3.362 20 0 FGADHM CC(C)[C@H](C(=O)Oc1ccc(-c2nnn[n-]2)cc1F)c1ccc(F)cc1 ZINC000824185172 607927714 /nfs/dbraw/zinc/92/77/14/607927714.db2.gz SKLZVTCUELHZHF-INIZCTEOSA-N -1 3 358.348 3.490 20 0 FGADHM CC(C)[C@H](C(=O)Oc1ccc(-c2nn[n-]n2)cc1F)c1ccc(F)cc1 ZINC000824185172 607927715 /nfs/dbraw/zinc/92/77/15/607927715.db2.gz SKLZVTCUELHZHF-INIZCTEOSA-N -1 3 358.348 3.490 20 0 FGADHM CC[C@@H]1c2ccccc2CCN1C(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000825219136 607928645 /nfs/dbraw/zinc/92/86/45/607928645.db2.gz HQXMQEQZJGVBKE-OAHLLOKOSA-N -1 3 368.828 3.065 20 0 FGADHM CC[C@@H]1c2ccccc2CCN1C(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000825219136 607928646 /nfs/dbraw/zinc/92/86/46/607928646.db2.gz HQXMQEQZJGVBKE-OAHLLOKOSA-N -1 3 368.828 3.065 20 0 FGADHM O=C(c1ccccc1C(F)(F)F)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826474367 607951293 /nfs/dbraw/zinc/95/12/93/607951293.db2.gz NBXCPLKCXCKOID-UHFFFAOYSA-N -1 3 359.311 3.088 20 0 FGADHM O=C(c1ccccc1C(F)(F)F)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826474367 607951294 /nfs/dbraw/zinc/95/12/94/607951294.db2.gz NBXCPLKCXCKOID-UHFFFAOYSA-N -1 3 359.311 3.088 20 0 FGADHM C[C@@H]1CCc2c(C(=O)N3CCc4ccc(-c5nnn[n-]5)cc43)csc2C1 ZINC000824969350 607951662 /nfs/dbraw/zinc/95/16/62/607951662.db2.gz SQKJRTRPDYCLHN-LLVKDONJSA-N -1 3 365.462 3.256 20 0 FGADHM C[C@@H]1CCc2c(C(=O)N3CCc4ccc(-c5nn[n-]n5)cc43)csc2C1 ZINC000824969350 607951663 /nfs/dbraw/zinc/95/16/63/607951663.db2.gz SQKJRTRPDYCLHN-LLVKDONJSA-N -1 3 365.462 3.256 20 0 FGADHM CSc1ccc(Cl)c(C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)c1 ZINC000826230926 607952577 /nfs/dbraw/zinc/95/25/77/607952577.db2.gz PADPIBHYUXSNDW-UHFFFAOYSA-N -1 3 371.853 3.445 20 0 FGADHM CSc1ccc(Cl)c(C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)c1 ZINC000826230926 607952578 /nfs/dbraw/zinc/95/25/78/607952578.db2.gz PADPIBHYUXSNDW-UHFFFAOYSA-N -1 3 371.853 3.445 20 0 FGADHM O=C(N1CCc2ccc(-c3nnn[n-]3)cc21)C1(Cc2ccccc2)CCC1 ZINC000826426136 607952850 /nfs/dbraw/zinc/95/28/50/607952850.db2.gz GHZBFAHGDHCJTC-UHFFFAOYSA-N -1 3 359.433 3.169 20 0 FGADHM O=C(N1CCc2ccc(-c3nn[n-]n3)cc21)C1(Cc2ccccc2)CCC1 ZINC000826426136 607952851 /nfs/dbraw/zinc/95/28/51/607952851.db2.gz GHZBFAHGDHCJTC-UHFFFAOYSA-N -1 3 359.433 3.169 20 0 FGADHM CCc1c(NC(=O)Nc2cc(-c3nnn[n-]3)ccc2C)cnn1CC(C)C ZINC000825694320 607960959 /nfs/dbraw/zinc/96/09/59/607960959.db2.gz NTQWQMPJRJYXCU-UHFFFAOYSA-N -1 3 368.445 3.234 20 0 FGADHM CCc1c(NC(=O)Nc2cc(-c3nn[n-]n3)ccc2C)cnn1CC(C)C ZINC000825694320 607960960 /nfs/dbraw/zinc/96/09/60/607960960.db2.gz NTQWQMPJRJYXCU-UHFFFAOYSA-N -1 3 368.445 3.234 20 0 FGADHM Cc1nnc(Sc2ccc(-c3nnn[n-]3)cn2)n1[C@H]1CCC[C@H](C)C1 ZINC000826337344 607968876 /nfs/dbraw/zinc/96/88/76/607968876.db2.gz LHDJWAFXZOZTFZ-GWCFXTLKSA-N -1 3 356.459 3.064 20 0 FGADHM Cc1nnc(Sc2ccc(-c3nn[n-]n3)cn2)n1[C@H]1CCC[C@H](C)C1 ZINC000826337344 607968877 /nfs/dbraw/zinc/96/88/77/607968877.db2.gz LHDJWAFXZOZTFZ-GWCFXTLKSA-N -1 3 356.459 3.064 20 0 FGADHM COc1cc(C(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)ccc1Cl ZINC000826176870 607969790 /nfs/dbraw/zinc/96/97/90/607969790.db2.gz HYFQTGSWUAOUIH-SNVBAGLBSA-N -1 3 357.801 3.020 20 0 FGADHM COc1cc(C(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)ccc1Cl ZINC000826176870 607969791 /nfs/dbraw/zinc/96/97/91/607969791.db2.gz HYFQTGSWUAOUIH-SNVBAGLBSA-N -1 3 357.801 3.020 20 0 FGADHM COc1ccc(COc2ccc(NC(=O)C(C)C)cc2)cc1-c1nnn[n-]1 ZINC000826207336 607973594 /nfs/dbraw/zinc/97/35/94/607973594.db2.gz KIZMKTZKNWZSNS-UHFFFAOYSA-N -1 3 367.409 3.049 20 0 FGADHM COc1ccc(COc2ccc(NC(=O)C(C)C)cc2)cc1-c1nn[n-]n1 ZINC000826207336 607973595 /nfs/dbraw/zinc/97/35/95/607973595.db2.gz KIZMKTZKNWZSNS-UHFFFAOYSA-N -1 3 367.409 3.049 20 0 FGADHM COc1ccc(C[C@@H](C)C(=O)Nc2sc(C)c(C)c2-c2nnn[n-]2)cc1 ZINC000826190800 607999983 /nfs/dbraw/zinc/99/99/83/607999983.db2.gz NTIDDNJBLFJNCR-SNVBAGLBSA-N -1 3 371.466 3.371 20 0 FGADHM COc1ccc(C[C@@H](C)C(=O)Nc2sc(C)c(C)c2-c2nn[n-]n2)cc1 ZINC000826190800 607999984 /nfs/dbraw/zinc/99/99/84/607999984.db2.gz NTIDDNJBLFJNCR-SNVBAGLBSA-N -1 3 371.466 3.371 20 0 FGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)C=Cc1ccc(Cl)nc1 ZINC000824148448 608003676 /nfs/dbraw/zinc/00/36/76/608003676.db2.gz VMEMXQODZHSFQX-ALCCZGGFSA-N -1 3 371.832 3.124 20 0 FGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)C=Cc1ccc(Cl)nc1 ZINC000824148448 608003677 /nfs/dbraw/zinc/00/36/77/608003677.db2.gz VMEMXQODZHSFQX-ALCCZGGFSA-N -1 3 371.832 3.124 20 0 FGADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cncc2ccccc21 ZINC000824173024 608004369 /nfs/dbraw/zinc/00/43/69/608004369.db2.gz VNASWUCKTATKLB-UHFFFAOYSA-N -1 3 374.404 3.211 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCCC12CCCCC2 ZINC000826185573 608007497 /nfs/dbraw/zinc/00/74/97/608007497.db2.gz NIVBFBSGHLRGJF-UHFFFAOYSA-N -1 3 356.430 3.206 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCCC12CCCCC2 ZINC000826185573 608007498 /nfs/dbraw/zinc/00/74/98/608007498.db2.gz NIVBFBSGHLRGJF-UHFFFAOYSA-N -1 3 356.430 3.206 20 0 FGADHM Cc1cc([C@H](NC(=O)c2cccc(-c3nnn[n-]3)c2)C2CC2)ccc1F ZINC000826262783 608009793 /nfs/dbraw/zinc/00/97/93/608009793.db2.gz YQGLAWVUFMFDHA-QGZVFWFLSA-N -1 3 351.385 3.195 20 0 FGADHM Cc1cc([C@H](NC(=O)c2cccc(-c3nn[n-]n3)c2)C2CC2)ccc1F ZINC000826262783 608009794 /nfs/dbraw/zinc/00/97/94/608009794.db2.gz YQGLAWVUFMFDHA-QGZVFWFLSA-N -1 3 351.385 3.195 20 0 FGADHM C[C@@H](Nc1nccc(OCc2ccccc2)n1)c1cccc(-c2nnn[n-]2)c1 ZINC000824669219 608015566 /nfs/dbraw/zinc/01/55/66/608015566.db2.gz BEKOYRMXTRYPFJ-CQSZACIVSA-N -1 3 373.420 3.409 20 0 FGADHM C[C@@H](Nc1nccc(OCc2ccccc2)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000824669219 608015567 /nfs/dbraw/zinc/01/55/67/608015567.db2.gz BEKOYRMXTRYPFJ-CQSZACIVSA-N -1 3 373.420 3.409 20 0 FGADHM CCC1(CNc2ccc(-c3nn[n-]n3)cc2Br)CCOCC1 ZINC000825171958 608050754 /nfs/dbraw/zinc/05/07/54/608050754.db2.gz XGJCYNATVQDRCO-UHFFFAOYSA-N -1 3 366.263 3.248 20 0 FGADHM C[C@H](NC(=O)CCCc1cc(F)ccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000824477610 608052813 /nfs/dbraw/zinc/05/28/13/608052813.db2.gz AUHGCTWFLQMDFG-LBPRGKRZSA-N -1 3 371.391 3.345 20 0 FGADHM C[C@H](NC(=O)CCCc1cc(F)ccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000824477610 608052814 /nfs/dbraw/zinc/05/28/14/608052814.db2.gz AUHGCTWFLQMDFG-LBPRGKRZSA-N -1 3 371.391 3.345 20 0 FGADHM Clc1ccc(Cn2cc(NCc3ccc(-c4nnn[n-]4)cc3)cn2)cc1 ZINC000826351826 608055801 /nfs/dbraw/zinc/05/58/01/608055801.db2.gz CKEGKKTXMLSWTJ-UHFFFAOYSA-N -1 3 365.828 3.377 20 0 FGADHM Clc1ccc(Cn2cc(NCc3ccc(-c4nn[n-]n4)cc3)cn2)cc1 ZINC000826351826 608055802 /nfs/dbraw/zinc/05/58/02/608055802.db2.gz CKEGKKTXMLSWTJ-UHFFFAOYSA-N -1 3 365.828 3.377 20 0 FGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N1C[C@H](C)CC[C@@H]1C ZINC000824910672 608077861 /nfs/dbraw/zinc/07/78/61/608077861.db2.gz XZISVWWJYXEXQE-OLZOCXBDSA-N -1 3 358.446 3.306 20 0 FGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N1C[C@H](C)CC[C@@H]1C ZINC000824910672 608077862 /nfs/dbraw/zinc/07/78/62/608077862.db2.gz XZISVWWJYXEXQE-OLZOCXBDSA-N -1 3 358.446 3.306 20 0 FGADHM C[C@H]1CCc2ccccc2[C@@H]1NC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000824969380 608102563 /nfs/dbraw/zinc/10/25/63/608102563.db2.gz SZZDLIIMOCQKGS-VBKZILBWSA-N -1 3 361.449 3.239 20 0 FGADHM C[C@H]1CCc2ccccc2[C@@H]1NC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000824969380 608102564 /nfs/dbraw/zinc/10/25/64/608102564.db2.gz SZZDLIIMOCQKGS-VBKZILBWSA-N -1 3 361.449 3.239 20 0 FGADHM O=C(c1cc(F)c(Cl)cc1F)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826470127 608120947 /nfs/dbraw/zinc/12/09/47/608120947.db2.gz DKHRNCPIOHHZHZ-UHFFFAOYSA-N -1 3 361.739 3.001 20 0 FGADHM O=C(c1cc(F)c(Cl)cc1F)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826470127 608120948 /nfs/dbraw/zinc/12/09/48/608120948.db2.gz DKHRNCPIOHHZHZ-UHFFFAOYSA-N -1 3 361.739 3.001 20 0 FGADHM Cc1ccc([C@@H]2CCN(C(=O)c3c(F)cc(-c4nnn[n-]4)cc3F)C2)cc1 ZINC000826285956 608129896 /nfs/dbraw/zinc/12/98/96/608129896.db2.gz OURKDSHQHAXLKH-CYBMUJFWSA-N -1 3 369.375 3.083 20 0 FGADHM Cc1ccc([C@@H]2CCN(C(=O)c3c(F)cc(-c4nn[n-]n4)cc3F)C2)cc1 ZINC000826285956 608129897 /nfs/dbraw/zinc/12/98/97/608129897.db2.gz OURKDSHQHAXLKH-CYBMUJFWSA-N -1 3 369.375 3.083 20 0 FGADHM CCc1ccc(CNc2cc(-c3nnn[n-]3)ccc2OCCOC)cc1 ZINC000825712376 608136253 /nfs/dbraw/zinc/13/62/53/608136253.db2.gz POPVOCGPUBXWNQ-UHFFFAOYSA-N -1 3 353.426 3.066 20 0 FGADHM CCc1ccc(CNc2cc(-c3nn[n-]n3)ccc2OCCOC)cc1 ZINC000825712376 608136254 /nfs/dbraw/zinc/13/62/54/608136254.db2.gz POPVOCGPUBXWNQ-UHFFFAOYSA-N -1 3 353.426 3.066 20 0 FGADHM CC(C)(C)C(=O)N1CCC(CSc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000824065032 608143954 /nfs/dbraw/zinc/14/39/54/608143954.db2.gz SVDCFVXBRNHIPJ-UHFFFAOYSA-N -1 3 359.499 3.244 20 0 FGADHM CC(C)(C)C(=O)N1CCC(CSc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000824065032 608143955 /nfs/dbraw/zinc/14/39/55/608143955.db2.gz SVDCFVXBRNHIPJ-UHFFFAOYSA-N -1 3 359.499 3.244 20 0 FGADHM FC(F)(F)COc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826367512 608153061 /nfs/dbraw/zinc/15/30/61/608153061.db2.gz BNUAFCXBUKSENV-UHFFFAOYSA-N -1 3 350.300 3.387 20 0 FGADHM FC(F)(F)COc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826367512 608153063 /nfs/dbraw/zinc/15/30/63/608153063.db2.gz BNUAFCXBUKSENV-UHFFFAOYSA-N -1 3 350.300 3.387 20 0 FGADHM C[C@@H]1OCC[C@H]1C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000825015138 608155027 /nfs/dbraw/zinc/15/50/27/608155027.db2.gz ZYUNNTFJBBZPEA-YVEFUNNKSA-N -1 3 365.393 3.023 20 0 FGADHM C[C@@H]1OCC[C@H]1C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825015138 608155028 /nfs/dbraw/zinc/15/50/28/608155028.db2.gz ZYUNNTFJBBZPEA-YVEFUNNKSA-N -1 3 365.393 3.023 20 0 FGADHM CCN(C(=O)c1cnn(C(C)C)c1C)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825391291 608155034 /nfs/dbraw/zinc/15/50/34/608155034.db2.gz XJGRGKLWBFWZEJ-ZDUSSCGKSA-N -1 3 367.457 3.176 20 0 FGADHM CCN(C(=O)c1cnn(C(C)C)c1C)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825391291 608155036 /nfs/dbraw/zinc/15/50/36/608155036.db2.gz XJGRGKLWBFWZEJ-ZDUSSCGKSA-N -1 3 367.457 3.176 20 0 FGADHM CCC(CC)[C@@H](C)C(=O)Nc1nc2cc(-c3nnn[n-]3)ccc2n1CC ZINC000825097377 608176800 /nfs/dbraw/zinc/17/68/00/608176800.db2.gz WBDXCKBYHOHHBD-LLVKDONJSA-N -1 3 355.446 3.247 20 0 FGADHM CCC(CC)[C@@H](C)C(=O)Nc1nc2cc(-c3nn[n-]n3)ccc2n1CC ZINC000825097377 608176802 /nfs/dbraw/zinc/17/68/02/608176802.db2.gz WBDXCKBYHOHHBD-LLVKDONJSA-N -1 3 355.446 3.247 20 0 FGADHM CCO[C@@H](C(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000825576908 608182296 /nfs/dbraw/zinc/18/22/96/608182296.db2.gz QDBPGYAFUCWHEL-SUMWQHHRSA-N -1 3 352.394 3.249 20 0 FGADHM CCO[C@@H](C(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000825576908 608182298 /nfs/dbraw/zinc/18/22/98/608182298.db2.gz QDBPGYAFUCWHEL-SUMWQHHRSA-N -1 3 352.394 3.249 20 0 FGADHM CC[C@@H](C)[C@H](O)C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000825059219 608194536 /nfs/dbraw/zinc/19/45/36/608194536.db2.gz DDDVBYOCKGYXDR-PXAZEXFGSA-N -1 3 367.409 3.005 20 0 FGADHM CC[C@@H](C)[C@H](O)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825059219 608194538 /nfs/dbraw/zinc/19/45/38/608194538.db2.gz DDDVBYOCKGYXDR-PXAZEXFGSA-N -1 3 367.409 3.005 20 0 FGADHM CCC(C)(C)NC(=O)[C@@H](C)Sc1cccc(Cl)c1-c1nnn[n-]1 ZINC000825044853 608205678 /nfs/dbraw/zinc/20/56/78/608205678.db2.gz UTJIQGGWLHIPAN-SECBINFHSA-N -1 3 353.879 3.306 20 0 FGADHM CCC(C)(C)NC(=O)[C@@H](C)Sc1cccc(Cl)c1-c1nn[n-]n1 ZINC000825044853 608205680 /nfs/dbraw/zinc/20/56/80/608205680.db2.gz UTJIQGGWLHIPAN-SECBINFHSA-N -1 3 353.879 3.306 20 0 FGADHM c1ccc2c(c1)C[C@@H](CNc1ccc3cc(-c4nnn[n-]4)ccc3n1)CO2 ZINC000826523135 608222677 /nfs/dbraw/zinc/22/26/77/608222677.db2.gz BLPZQBJYXBZOFV-ZDUSSCGKSA-N -1 3 358.405 3.078 20 0 FGADHM c1ccc2c(c1)C[C@@H](CNc1ccc3cc(-c4nn[n-]n4)ccc3n1)CO2 ZINC000826523135 608222678 /nfs/dbraw/zinc/22/26/78/608222678.db2.gz BLPZQBJYXBZOFV-ZDUSSCGKSA-N -1 3 358.405 3.078 20 0 FGADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C=Cc1ccc2[nH]ccc2c1 ZINC000825972053 608229116 /nfs/dbraw/zinc/22/91/16/608229116.db2.gz TTZDJNRHEASGPW-VURMDHGXSA-N -1 3 358.405 3.020 20 0 FGADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C=Cc1ccc2[nH]ccc2c1 ZINC000825972053 608229118 /nfs/dbraw/zinc/22/91/18/608229118.db2.gz TTZDJNRHEASGPW-VURMDHGXSA-N -1 3 358.405 3.020 20 0 FGADHM CC(C)[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)cc2Br)CCO1 ZINC000824215236 608242526 /nfs/dbraw/zinc/24/25/26/608242526.db2.gz JQYWFBSVQZFSFN-SMDDNHRTSA-N -1 3 366.263 3.245 20 0 FGADHM Fc1cccc([C@@H](NCc2ccc(-c3nn[n-]n3)cc2)c2ccccn2)c1 ZINC000826376973 608243422 /nfs/dbraw/zinc/24/34/22/608243422.db2.gz ZLWXWMAYDXEFNO-LJQANCHMSA-N -1 3 360.396 3.280 20 0 FGADHM Cc1cccc([C@@H](NC(=O)c2cccc(-c3nnn[n-]3)c2)c2ccccn2)c1 ZINC000826296961 608245968 /nfs/dbraw/zinc/24/59/68/608245968.db2.gz PUBOWONPAQLCPH-LJQANCHMSA-N -1 3 370.416 3.090 20 0 FGADHM Cc1cccc([C@@H](NC(=O)c2cccc(-c3nn[n-]n3)c2)c2ccccn2)c1 ZINC000826296961 608245970 /nfs/dbraw/zinc/24/59/70/608245970.db2.gz PUBOWONPAQLCPH-LJQANCHMSA-N -1 3 370.416 3.090 20 0 FGADHM Fc1ccc(NCc2cc(-c3nnn[n-]3)ccc2F)c(OCC(F)F)c1 ZINC000826375122 608292485 /nfs/dbraw/zinc/29/24/85/608292485.db2.gz AOCKXRHVIRPULB-UHFFFAOYSA-N -1 3 367.306 3.401 20 0 FGADHM Fc1ccc(NCc2cc(-c3nn[n-]n3)ccc2F)c(OCC(F)F)c1 ZINC000826375122 608292486 /nfs/dbraw/zinc/29/24/86/608292486.db2.gz AOCKXRHVIRPULB-UHFFFAOYSA-N -1 3 367.306 3.401 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)c(NCc2cc(Cl)ccc2OC(F)F)n1 ZINC000826276349 608292859 /nfs/dbraw/zinc/29/28/59/608292859.db2.gz BOMKAEVMVUFTCT-UHFFFAOYSA-N -1 3 366.759 3.437 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)c(NCc2cc(Cl)ccc2OC(F)F)n1 ZINC000826276349 608292861 /nfs/dbraw/zinc/29/28/61/608292861.db2.gz BOMKAEVMVUFTCT-UHFFFAOYSA-N -1 3 366.759 3.437 20 0 FGADHM CCCCn1cc(CNc2cc(-c3nnn[n-]3)c3ccccc3n2)c(C)n1 ZINC000825301566 608293772 /nfs/dbraw/zinc/29/37/72/608293772.db2.gz NLVMFPSQKGJGJT-UHFFFAOYSA-N -1 3 362.441 3.332 20 0 FGADHM CCCCn1cc(CNc2cc(-c3nn[n-]n3)c3ccccc3n2)c(C)n1 ZINC000825301566 608293774 /nfs/dbraw/zinc/29/37/74/608293774.db2.gz NLVMFPSQKGJGJT-UHFFFAOYSA-N -1 3 362.441 3.332 20 0 FGADHM CC(C)(C)OC(=O)CCCCNc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000824100714 608295762 /nfs/dbraw/zinc/29/57/62/608295762.db2.gz WMDCWJJUKYURMC-UHFFFAOYSA-N -1 3 368.441 3.339 20 0 FGADHM CC(C)(C)OC(=O)CCCCNc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000824100714 608295764 /nfs/dbraw/zinc/29/57/64/608295764.db2.gz WMDCWJJUKYURMC-UHFFFAOYSA-N -1 3 368.441 3.339 20 0 FGADHM CC(C)OC1CCC(Nc2nc3c(cc2-c2nnn[n-]2)CCCC3)CC1 ZINC000824309676 608299572 /nfs/dbraw/zinc/29/95/72/608299572.db2.gz UXQRXBFQTRXUOQ-UHFFFAOYSA-N -1 3 356.474 3.289 20 0 FGADHM CC(C)OC1CCC(Nc2nc3c(cc2-c2nn[n-]n2)CCCC3)CC1 ZINC000824309676 608299574 /nfs/dbraw/zinc/29/95/74/608299574.db2.gz UXQRXBFQTRXUOQ-UHFFFAOYSA-N -1 3 356.474 3.289 20 0 FGADHM Cc1c(NC(=O)N[C@H](C)c2cccc(F)c2F)cccc1-c1nnn[n-]1 ZINC000826241404 608308152 /nfs/dbraw/zinc/30/81/52/608308152.db2.gz CFNUAHKDNHFQTF-SNVBAGLBSA-N -1 3 358.352 3.336 20 0 FGADHM Cc1c(NC(=O)N[C@H](C)c2cccc(F)c2F)cccc1-c1nn[n-]n1 ZINC000826241404 608308154 /nfs/dbraw/zinc/30/81/54/608308154.db2.gz CFNUAHKDNHFQTF-SNVBAGLBSA-N -1 3 358.352 3.336 20 0 FGADHM Cc1c(NC(=O)N[C@@H](C)c2cccc(F)c2F)cccc1-c1nnn[n-]1 ZINC000826241403 608308158 /nfs/dbraw/zinc/30/81/58/608308158.db2.gz CFNUAHKDNHFQTF-JTQLQIEISA-N -1 3 358.352 3.336 20 0 FGADHM Cc1c(NC(=O)N[C@@H](C)c2cccc(F)c2F)cccc1-c1nn[n-]n1 ZINC000826241403 608308160 /nfs/dbraw/zinc/30/81/60/608308160.db2.gz CFNUAHKDNHFQTF-JTQLQIEISA-N -1 3 358.352 3.336 20 0 FGADHM CC(C)c1ccc(C[C@@H](C)NC(=O)c2sccc2-c2nnn[n-]2)cc1 ZINC000824457251 608314353 /nfs/dbraw/zinc/31/43/53/608314353.db2.gz IEWMGZYXCALKKH-GFCCVEGCSA-N -1 3 355.467 3.413 20 0 FGADHM CC(C)c1ccc(C[C@@H](C)NC(=O)c2sccc2-c2nn[n-]n2)cc1 ZINC000824457251 608314355 /nfs/dbraw/zinc/31/43/55/608314355.db2.gz IEWMGZYXCALKKH-GFCCVEGCSA-N -1 3 355.467 3.413 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1CNc1ccccc1OCC(F)F ZINC000826170680 608320755 /nfs/dbraw/zinc/32/07/55/608320755.db2.gz KXFUZGWNRIATKY-UHFFFAOYSA-N -1 3 361.352 3.131 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1CNc1ccccc1OCC(F)F ZINC000826170680 608320757 /nfs/dbraw/zinc/32/07/57/608320757.db2.gz KXFUZGWNRIATKY-UHFFFAOYSA-N -1 3 361.352 3.131 20 0 FGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1)c1ccc(F)c(Cl)c1F ZINC000826465984 608321218 /nfs/dbraw/zinc/32/12/18/608321218.db2.gz KWHUGUIVVSACDS-UHFFFAOYSA-N -1 3 350.712 3.155 20 0 FGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1)c1ccc(F)c(Cl)c1F ZINC000826465984 608321220 /nfs/dbraw/zinc/32/12/20/608321220.db2.gz KWHUGUIVVSACDS-UHFFFAOYSA-N -1 3 350.712 3.155 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1CSCc1c(C)nn(C)c1Cl ZINC000826173520 608322643 /nfs/dbraw/zinc/32/26/43/608322643.db2.gz HRNPPYXJXXWPOZ-UHFFFAOYSA-N -1 3 364.862 3.004 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1CSCc1c(C)nn(C)c1Cl ZINC000826173520 608322645 /nfs/dbraw/zinc/32/26/45/608322645.db2.gz HRNPPYXJXXWPOZ-UHFFFAOYSA-N -1 3 364.862 3.004 20 0 FGADHM CC[C@H](C(=O)OCc1ccc(-c2nnn[n-]2)cc1OC)c1ccccc1 ZINC000825039725 608344006 /nfs/dbraw/zinc/34/40/06/608344006.db2.gz VJVCVEPBXCDJTM-INIZCTEOSA-N -1 3 352.394 3.112 20 0 FGADHM CC[C@H](C(=O)OCc1ccc(-c2nn[n-]n2)cc1OC)c1ccccc1 ZINC000825039725 608344007 /nfs/dbraw/zinc/34/40/07/608344007.db2.gz VJVCVEPBXCDJTM-INIZCTEOSA-N -1 3 352.394 3.112 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)C[C@@H](C)c1ccc(F)cc1 ZINC000826171632 608359165 /nfs/dbraw/zinc/35/91/65/608359165.db2.gz STXDUUMDYMTXCQ-GFCCVEGCSA-N -1 3 370.384 3.251 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)C[C@@H](C)c1ccc(F)cc1 ZINC000826171632 608359167 /nfs/dbraw/zinc/35/91/67/608359167.db2.gz STXDUUMDYMTXCQ-GFCCVEGCSA-N -1 3 370.384 3.251 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)C[C@@H](C)c1cccc(F)c1 ZINC000826171208 608360454 /nfs/dbraw/zinc/36/04/54/608360454.db2.gz HDQWVQWUFWZHLV-GFCCVEGCSA-N -1 3 370.384 3.251 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)C[C@@H](C)c1cccc(F)c1 ZINC000826171208 608360457 /nfs/dbraw/zinc/36/04/57/608360457.db2.gz HDQWVQWUFWZHLV-GFCCVEGCSA-N -1 3 370.384 3.251 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)c1cc2cccc(F)c2o1 ZINC000826172581 608360751 /nfs/dbraw/zinc/36/07/51/608360751.db2.gz NLNFMOVNNSZEON-UHFFFAOYSA-N -1 3 368.324 3.118 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)c1cc2cccc(F)c2o1 ZINC000826172581 608360753 /nfs/dbraw/zinc/36/07/53/608360753.db2.gz NLNFMOVNNSZEON-UHFFFAOYSA-N -1 3 368.324 3.118 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1CN(C)[C@@H](C)c1sc(C)nc1C ZINC000826167497 608360889 /nfs/dbraw/zinc/36/08/89/608360889.db2.gz GUYWNGZMBPSBLE-NSHDSACASA-N -1 3 358.471 3.142 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)[C@H](c1ccccc1)C1CC1 ZINC000826171170 608374778 /nfs/dbraw/zinc/37/47/78/608374778.db2.gz FZLQEIFPOVPJQM-GOSISDBHSA-N -1 3 364.405 3.112 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)[C@H](c1ccccc1)C1CC1 ZINC000826171170 608374780 /nfs/dbraw/zinc/37/47/80/608374780.db2.gz FZLQEIFPOVPJQM-GOSISDBHSA-N -1 3 364.405 3.112 20 0 FGADHM CC(C)n1cnnc1[C@@H]1CCCN(c2cc(Cl)ccc2-c2nnn[n-]2)C1 ZINC000824378023 608378975 /nfs/dbraw/zinc/37/89/75/608378975.db2.gz WMAPNSSKAFNJCF-GFCCVEGCSA-N -1 3 372.864 3.077 20 0 FGADHM CC(C)n1cnnc1[C@@H]1CCCN(c2cc(Cl)ccc2-c2nn[n-]n2)C1 ZINC000824378023 608378976 /nfs/dbraw/zinc/37/89/76/608378976.db2.gz WMAPNSSKAFNJCF-GFCCVEGCSA-N -1 3 372.864 3.077 20 0 FGADHM O=C1Nc2cc(Br)ccc2C1=Cc1ccc(-c2nnn[n-]2)s1 ZINC000826483387 608387597 /nfs/dbraw/zinc/38/75/97/608387597.db2.gz LSNLZLAOZSYBLJ-UXBLZVDNSA-N -1 3 374.223 3.183 20 0 FGADHM COC(=O)[C@H](N[C@@H](C)c1ccccc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000821641228 608390936 /nfs/dbraw/zinc/39/09/36/608390936.db2.gz YLVWKJZSKKQULK-MEDUHNTESA-N -1 3 371.828 3.085 20 0 FGADHM COC(=O)[C@H](N[C@@H](C)c1ccccc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000821641228 608390938 /nfs/dbraw/zinc/39/09/38/608390938.db2.gz YLVWKJZSKKQULK-MEDUHNTESA-N -1 3 371.828 3.085 20 0 FGADHM C[C@H](Sc1ccccc1-c1nnn[n-]1)C(=O)c1c[nH]c2ncccc12 ZINC000824755320 608398281 /nfs/dbraw/zinc/39/82/81/608398281.db2.gz LFLVCCSVSLPOAE-JTQLQIEISA-N -1 3 350.407 3.107 20 0 FGADHM C[C@H](Sc1ccccc1-c1nn[n-]n1)C(=O)c1c[nH]c2ncccc12 ZINC000824755320 608398283 /nfs/dbraw/zinc/39/82/83/608398283.db2.gz LFLVCCSVSLPOAE-JTQLQIEISA-N -1 3 350.407 3.107 20 0 FGADHM CN(Cc1nc(C(F)(F)F)cs1)Cc1cccc(-c2nnn[n-]2)c1F ZINC000825992475 608399217 /nfs/dbraw/zinc/39/92/17/608399217.db2.gz YDWFDDIRGBPLLX-UHFFFAOYSA-N -1 3 372.351 3.113 20 0 FGADHM CN(Cc1nc(C(F)(F)F)cs1)Cc1cccc(-c2nn[n-]n2)c1F ZINC000825992475 608399220 /nfs/dbraw/zinc/39/92/20/608399220.db2.gz YDWFDDIRGBPLLX-UHFFFAOYSA-N -1 3 372.351 3.113 20 0 FGADHM C[C@H]1CN(Cc2cccc(-c3nnn[n-]3)c2F)C[C@@H](c2ccsc2)O1 ZINC000824984501 608400403 /nfs/dbraw/zinc/40/04/03/608400403.db2.gz KMIROGUPBPUSBI-NHYWBVRUSA-N -1 3 359.430 3.029 20 0 FGADHM C[C@H]1CN(Cc2cccc(-c3nn[n-]n3)c2F)C[C@@H](c2ccsc2)O1 ZINC000824984501 608400405 /nfs/dbraw/zinc/40/04/05/608400405.db2.gz KMIROGUPBPUSBI-NHYWBVRUSA-N -1 3 359.430 3.029 20 0 FGADHM C[C@@H](NC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1)C1CCCC1 ZINC000824491195 608410209 /nfs/dbraw/zinc/41/02/09/608410209.db2.gz SHMAJBYFQAMNPJ-CQSZACIVSA-N -1 3 366.469 3.244 20 0 FGADHM C[C@@H](NC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1)C1CCCC1 ZINC000824491195 608410211 /nfs/dbraw/zinc/41/02/11/608410211.db2.gz SHMAJBYFQAMNPJ-CQSZACIVSA-N -1 3 366.469 3.244 20 0 FGADHM CC[C@H]1CCC[C@@H]1NC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000825193057 608421477 /nfs/dbraw/zinc/42/14/77/608421477.db2.gz JVFKIPKXYHFPOF-KSSFIOAISA-N -1 3 366.469 3.244 20 0 FGADHM CC[C@H]1CCC[C@@H]1NC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825193057 608421478 /nfs/dbraw/zinc/42/14/78/608421478.db2.gz JVFKIPKXYHFPOF-KSSFIOAISA-N -1 3 366.469 3.244 20 0 FGADHM CC(C)(C)c1nc(C(=O)OCc2cccc(-c3nnn[n-]3)c2F)cs1 ZINC000824141645 608445648 /nfs/dbraw/zinc/44/56/48/608445648.db2.gz LKPINXDFIIQSLW-UHFFFAOYSA-N -1 3 361.402 3.117 20 0 FGADHM CC(C)(C)c1nc(C(=O)OCc2cccc(-c3nn[n-]n3)c2F)cs1 ZINC000824141645 608445650 /nfs/dbraw/zinc/44/56/50/608445650.db2.gz LKPINXDFIIQSLW-UHFFFAOYSA-N -1 3 361.402 3.117 20 0 FGADHM C[C@@H](CC(=O)OCc1cccc(-c2nnn[n-]2)c1F)c1ccccc1F ZINC000824393859 608445764 /nfs/dbraw/zinc/44/57/64/608445764.db2.gz UUWVCFGFHCRTGL-NSHDSACASA-N -1 3 358.348 3.382 20 0 FGADHM C[C@@H](CC(=O)OCc1cccc(-c2nn[n-]n2)c1F)c1ccccc1F ZINC000824393859 608445765 /nfs/dbraw/zinc/44/57/65/608445765.db2.gz UUWVCFGFHCRTGL-NSHDSACASA-N -1 3 358.348 3.382 20 0 FGADHM CC[C@@H](Cc1ccccc1)C(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000825126658 608447411 /nfs/dbraw/zinc/44/74/11/608447411.db2.gz JMGXAHJZYZSDQC-AWEZNQCLSA-N -1 3 354.385 3.318 20 0 FGADHM CC[C@@H](Cc1ccccc1)C(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000825126658 608447413 /nfs/dbraw/zinc/44/74/13/608447413.db2.gz JMGXAHJZYZSDQC-AWEZNQCLSA-N -1 3 354.385 3.318 20 0 FGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000826466322 608450757 /nfs/dbraw/zinc/45/07/57/608450757.db2.gz XNCKOYWMTYMWLL-JSGCOSHPSA-N -1 3 374.322 3.131 20 0 FGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000826466322 608450760 /nfs/dbraw/zinc/45/07/60/608450760.db2.gz XNCKOYWMTYMWLL-JSGCOSHPSA-N -1 3 374.322 3.131 20 0 FGADHM Cc1ccccc1-c1nc(CN[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)no1 ZINC000826304991 608468063 /nfs/dbraw/zinc/46/80/63/608468063.db2.gz GMUQEQYXMHBLNG-ZDUSSCGKSA-N -1 3 361.409 3.076 20 0 FGADHM Cc1ccccc1-c1nc(CN[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)no1 ZINC000826304991 608468065 /nfs/dbraw/zinc/46/80/65/608468065.db2.gz GMUQEQYXMHBLNG-ZDUSSCGKSA-N -1 3 361.409 3.076 20 0 FGADHM O=C(C=C(C1CC1)C1CC1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826399528 608481839 /nfs/dbraw/zinc/48/18/39/608481839.db2.gz YEKURTJDQHKPDK-UHFFFAOYSA-N -1 3 361.449 3.229 20 0 FGADHM O=C(C=C(C1CC1)C1CC1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826399528 608481841 /nfs/dbraw/zinc/48/18/41/608481841.db2.gz YEKURTJDQHKPDK-UHFFFAOYSA-N -1 3 361.449 3.229 20 0 FGADHM C[C@@H]1CC[C@H](CC(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)C1 ZINC000824909431 608484392 /nfs/dbraw/zinc/48/43/92/608484392.db2.gz TWZWDDSQRBQGKD-CABCVRRESA-N -1 3 351.454 3.309 20 0 FGADHM C[C@@H]1CC[C@H](CC(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC000824909431 608484393 /nfs/dbraw/zinc/48/43/93/608484393.db2.gz TWZWDDSQRBQGKD-CABCVRRESA-N -1 3 351.454 3.309 20 0 FGADHM C[C@@H](NCc1coc(-c2cccs2)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000824624590 608484625 /nfs/dbraw/zinc/48/46/25/608484625.db2.gz AMIGTBVXHNPKEL-LLVKDONJSA-N -1 3 352.423 3.434 20 0 FGADHM C[C@@H](N[C@@H](C)c1nnc(-c2cccs2)o1)c1cccc(-c2nn[n-]n2)c1 ZINC000824530659 608491926 /nfs/dbraw/zinc/49/19/26/608491926.db2.gz MQLZTRPDXZYUJX-MNOVXSKESA-N -1 3 367.438 3.390 20 0 FGADHM CCN(C(=O)c1cccc2ccc(C)nc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000825385595 608545773 /nfs/dbraw/zinc/54/57/73/608545773.db2.gz MVEXEKSMTRYMAI-UHFFFAOYSA-N -1 3 358.405 3.390 20 0 FGADHM CCN(C(=O)c1cccc2ccc(C)nc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000825385595 608545775 /nfs/dbraw/zinc/54/57/75/608545775.db2.gz MVEXEKSMTRYMAI-UHFFFAOYSA-N -1 3 358.405 3.390 20 0 FGADHM CC(C)(C)OC(=O)c1ccccc1NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824114486 608547023 /nfs/dbraw/zinc/54/70/23/608547023.db2.gz UDNFVLXOQGJQBY-UHFFFAOYSA-N -1 3 365.393 3.074 20 0 FGADHM CC(C)(C)OC(=O)c1ccccc1NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824114486 608547024 /nfs/dbraw/zinc/54/70/24/608547024.db2.gz UDNFVLXOQGJQBY-UHFFFAOYSA-N -1 3 365.393 3.074 20 0 FGADHM CC[C@@H](CSC)NC(=O)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000825128212 608568244 /nfs/dbraw/zinc/56/82/44/608568244.db2.gz RVYVPAFKVIAKGR-QMMMGPOBSA-N -1 3 360.270 3.045 20 0 FGADHM CC[C@@H](CSC)NC(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000825128212 608568246 /nfs/dbraw/zinc/56/82/46/608568246.db2.gz RVYVPAFKVIAKGR-QMMMGPOBSA-N -1 3 360.270 3.045 20 0 FGADHM Cc1ccc2c(c1)CCCN2C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826294354 608573978 /nfs/dbraw/zinc/57/39/78/608573978.db2.gz PERQXJNHTDIBDP-UHFFFAOYSA-N -1 3 353.813 3.422 20 0 FGADHM Cc1ccc2c(c1)CCCN2C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826294354 608573979 /nfs/dbraw/zinc/57/39/79/608573979.db2.gz PERQXJNHTDIBDP-UHFFFAOYSA-N -1 3 353.813 3.422 20 0 FGADHM COc1ccc([C@@H](C)N(C)C(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)cc1 ZINC000826188096 608575401 /nfs/dbraw/zinc/57/54/01/608575401.db2.gz NMHPKVBCPVYVIU-LLVKDONJSA-N -1 3 371.828 3.362 20 0 FGADHM COc1ccc([C@@H](C)N(C)C(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)cc1 ZINC000826188096 608575402 /nfs/dbraw/zinc/57/54/02/608575402.db2.gz NMHPKVBCPVYVIU-LLVKDONJSA-N -1 3 371.828 3.362 20 0 FGADHM CC(C)N(Cc1nc2c(s1)CCC2)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000824293463 608580102 /nfs/dbraw/zinc/58/01/02/608580102.db2.gz MQYHBFBCCZWCHF-UHFFFAOYSA-N -1 3 354.483 3.223 20 0 FGADHM C[C@@H](c1ccccn1)N(C)Cc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000824770311 608582309 /nfs/dbraw/zinc/58/23/09/608582309.db2.gz IRUWSOYNLDEJTQ-NSHDSACASA-N -1 3 360.368 3.056 20 0 FGADHM C[C@@H](c1ccccn1)N(C)Cc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000824770311 608582310 /nfs/dbraw/zinc/58/23/10/608582310.db2.gz IRUWSOYNLDEJTQ-NSHDSACASA-N -1 3 360.368 3.056 20 0 FGADHM CSc1ccc(C)c(NC(=O)CCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826230459 608591584 /nfs/dbraw/zinc/59/15/84/608591584.db2.gz VFRODQYHHPCGGD-UHFFFAOYSA-N -1 3 353.451 3.468 20 0 FGADHM CSc1ccc(C)c(NC(=O)CCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826230459 608591586 /nfs/dbraw/zinc/59/15/86/608591586.db2.gz VFRODQYHHPCGGD-UHFFFAOYSA-N -1 3 353.451 3.468 20 0 FGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@@H](C)[C@H]1C ZINC000824319151 608599166 /nfs/dbraw/zinc/59/91/66/608599166.db2.gz HNQGVINVOAOGDA-CHWSQXEVSA-N -1 3 358.446 3.306 20 0 FGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@@H](C)[C@H]1C ZINC000824319151 608599167 /nfs/dbraw/zinc/59/91/67/608599167.db2.gz HNQGVINVOAOGDA-CHWSQXEVSA-N -1 3 358.446 3.306 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N1CCc2cc(F)ccc2C1 ZINC000826453170 608610294 /nfs/dbraw/zinc/61/02/94/608610294.db2.gz ZJQCHPWQCCLNPX-UHFFFAOYSA-N -1 3 372.791 3.249 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N1CCc2cc(F)ccc2C1 ZINC000826453170 608610296 /nfs/dbraw/zinc/61/02/96/608610296.db2.gz ZJQCHPWQCCLNPX-UHFFFAOYSA-N -1 3 372.791 3.249 20 0 FGADHM Fc1cccc(CN(Cc2ccc(-c3nnn[n-]3)s2)C[C@H]2CCCO2)c1 ZINC000826376931 608654975 /nfs/dbraw/zinc/65/49/75/608654975.db2.gz YMBHOOXUVBPWFP-OAHLLOKOSA-N -1 3 373.457 3.249 20 0 FGADHM Fc1ccc2c(c1F)N(C(=S)Nc1ccccc1-c1nnn[n-]1)CCC2 ZINC000826375806 608749121 /nfs/dbraw/zinc/74/91/21/608749121.db2.gz CHLSDDXAXXFRRJ-UHFFFAOYSA-N -1 3 372.404 3.295 20 0 FGADHM Fc1ccc2c(c1F)N(C(=S)Nc1ccccc1-c1nn[n-]n1)CCC2 ZINC000826375806 608749122 /nfs/dbraw/zinc/74/91/22/608749122.db2.gz CHLSDDXAXXFRRJ-UHFFFAOYSA-N -1 3 372.404 3.295 20 0 FGADHM FC(F)(F)c1cccc(C2(CNc3cnccc3-c3nnn[n-]3)CC2)c1 ZINC000826369107 608779704 /nfs/dbraw/zinc/77/97/04/608779704.db2.gz NBJGDDBGYPQQCO-UHFFFAOYSA-N -1 3 360.343 3.424 20 0 FGADHM FC(F)(F)c1cccc(C2(CNc3cnccc3-c3nn[n-]n3)CC2)c1 ZINC000826369107 608779705 /nfs/dbraw/zinc/77/97/05/608779705.db2.gz NBJGDDBGYPQQCO-UHFFFAOYSA-N -1 3 360.343 3.424 20 0 FGADHM c1ccc2c(c1)CCC[C@@H]2OCCCNc1cnccc1-c1nnn[n-]1 ZINC000826523272 608785408 /nfs/dbraw/zinc/78/54/08/608785408.db2.gz HFOCAIPZSPJRIK-SFHVURJKSA-N -1 3 350.426 3.158 20 0 FGADHM c1ccc2c(c1)CCC[C@@H]2OCCCNc1cnccc1-c1nn[n-]n1 ZINC000826523272 608785411 /nfs/dbraw/zinc/78/54/11/608785411.db2.gz HFOCAIPZSPJRIK-SFHVURJKSA-N -1 3 350.426 3.158 20 0 FGADHM C[C@@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825011932 608824860 /nfs/dbraw/zinc/82/48/60/608824860.db2.gz AMRKTPKLXTUYGM-NEPJUHHUSA-N -1 3 351.385 3.154 20 0 FGADHM C[C@@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825011932 608824862 /nfs/dbraw/zinc/82/48/62/608824862.db2.gz AMRKTPKLXTUYGM-NEPJUHHUSA-N -1 3 351.385 3.154 20 0 FGADHM CCOc1cccc(CNc2cccc(-c3nnn[n-]3)c2)c1OC(F)F ZINC000825649634 608872115 /nfs/dbraw/zinc/87/21/15/608872115.db2.gz SVIRWXJTMPBCCI-UHFFFAOYSA-N -1 3 361.352 3.479 20 0 FGADHM CCOc1cccc(CNc2cccc(-c3nn[n-]n3)c2)c1OC(F)F ZINC000825649634 608872117 /nfs/dbraw/zinc/87/21/17/608872117.db2.gz SVIRWXJTMPBCCI-UHFFFAOYSA-N -1 3 361.352 3.479 20 0 FGADHM C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000824911063 609137215 /nfs/dbraw/zinc/13/72/15/609137215.db2.gz ZZFLHQPIXPZWPU-UULDIIRDSA-N -1 3 365.359 3.069 20 0 FGADHM C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000824911063 609137217 /nfs/dbraw/zinc/13/72/17/609137217.db2.gz ZZFLHQPIXPZWPU-UULDIIRDSA-N -1 3 365.359 3.069 20 0 FGADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)c2cccc(C)n2)c1-c1nnn[n-]1 ZINC000826296312 609166584 /nfs/dbraw/zinc/16/65/84/609166584.db2.gz QYOIDQDBJBBUIG-UHFFFAOYSA-N -1 3 373.420 3.230 20 0 FGADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)c2cccc(C)n2)c1-c1nn[n-]n1 ZINC000826296312 609166586 /nfs/dbraw/zinc/16/65/86/609166586.db2.gz QYOIDQDBJBBUIG-UHFFFAOYSA-N -1 3 373.420 3.230 20 0 FGADHM CCNc1ccc(-c2nn[n-]n2)cc1NCC(=O)N[C@H](C)CCCC(C)C ZINC000825480650 609177943 /nfs/dbraw/zinc/17/79/43/609177943.db2.gz FDZIWGHJMYWLLK-CQSZACIVSA-N -1 3 373.505 3.041 20 0 FGADHM O=C(CSCc1ccc(CF)cc1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000826420234 609186020 /nfs/dbraw/zinc/18/60/20/609186020.db2.gz DKIKIKTVGLTEKB-UHFFFAOYSA-N -1 3 357.414 3.208 20 0 FGADHM O=C(CSCc1ccc(CF)cc1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000826420234 609186022 /nfs/dbraw/zinc/18/60/22/609186022.db2.gz DKIKIKTVGLTEKB-UHFFFAOYSA-N -1 3 357.414 3.208 20 0 FGADHM Cc1ccccc1Oc1ccccc1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826307452 609210236 /nfs/dbraw/zinc/21/02/36/609210236.db2.gz IZWNVMMDWDWSHN-UHFFFAOYSA-N -1 3 374.404 3.226 20 0 FGADHM Cc1ccccc1Oc1ccccc1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826307452 609210237 /nfs/dbraw/zinc/21/02/37/609210237.db2.gz IZWNVMMDWDWSHN-UHFFFAOYSA-N -1 3 374.404 3.226 20 0 FGADHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N1CCc2cc(-c3cccc(F)c3)ccc21 ZINC000826469651 609220277 /nfs/dbraw/zinc/22/02/77/609220277.db2.gz NNXWIEDMEPUHMA-UHFFFAOYSA-N -1 3 374.379 3.204 20 0 FGADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1CCc2cc(-c3cccc(F)c3)ccc21 ZINC000826469651 609220279 /nfs/dbraw/zinc/22/02/79/609220279.db2.gz NNXWIEDMEPUHMA-UHFFFAOYSA-N -1 3 374.379 3.204 20 0 FGADHM C[C@H](Nc1ccc(OCC(F)(F)F)nc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824656259 609251360 /nfs/dbraw/zinc/25/13/60/609251360.db2.gz JWJADHMHZBZZSB-JTQLQIEISA-N -1 3 364.331 3.376 20 0 FGADHM C[C@H](Nc1ccc(OCC(F)(F)F)nc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824656259 609251362 /nfs/dbraw/zinc/25/13/62/609251362.db2.gz JWJADHMHZBZZSB-JTQLQIEISA-N -1 3 364.331 3.376 20 0 FGADHM C[C@H](Nc1cc2c(cc1Cl)OCCO2)c1cccc(-c2nnn[n-]2)c1 ZINC000824648394 609254020 /nfs/dbraw/zinc/25/40/20/609254020.db2.gz FKECHKJMXXDIAT-JTQLQIEISA-N -1 3 357.801 3.464 20 0 FGADHM C[C@H](Nc1cc2c(cc1Cl)OCCO2)c1cccc(-c2nn[n-]n2)c1 ZINC000824648394 609254021 /nfs/dbraw/zinc/25/40/21/609254021.db2.gz FKECHKJMXXDIAT-JTQLQIEISA-N -1 3 357.801 3.464 20 0 FGADHM COCCCOc1ccccc1N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826157211 609276736 /nfs/dbraw/zinc/27/67/36/609276736.db2.gz LRBYZRDVEZOAEU-AWEZNQCLSA-N -1 3 353.426 3.455 20 0 FGADHM COCCCOc1ccccc1N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826157211 609276737 /nfs/dbraw/zinc/27/67/37/609276737.db2.gz LRBYZRDVEZOAEU-AWEZNQCLSA-N -1 3 353.426 3.455 20 0 FGADHM Cc1nnc(-c2cccc(N[C@H](C)c3ccc(-c4nnn[n-]4)cc3)c2)n1C ZINC000826335641 609280527 /nfs/dbraw/zinc/28/05/27/609280527.db2.gz VUOIUCLOLSESQO-GFCCVEGCSA-N -1 3 360.425 3.144 20 0 FGADHM Cc1nnc(-c2cccc(N[C@H](C)c3ccc(-c4nn[n-]n4)cc3)c2)n1C ZINC000826335641 609280528 /nfs/dbraw/zinc/28/05/28/609280528.db2.gz VUOIUCLOLSESQO-GFCCVEGCSA-N -1 3 360.425 3.144 20 0 FGADHM O=C(NCCSc1ccccc1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826439111 609287425 /nfs/dbraw/zinc/28/74/25/609287425.db2.gz FNMIKQCXAXGKIK-UHFFFAOYSA-N -1 3 359.842 3.042 20 0 FGADHM O=C(NCCSc1ccccc1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826439111 609287426 /nfs/dbraw/zinc/28/74/26/609287426.db2.gz FNMIKQCXAXGKIK-UHFFFAOYSA-N -1 3 359.842 3.042 20 0 FGADHM Cc1nc2cc(NC(=O)c3c(F)cc(-c4nnn[n-]4)cc3F)ccc2s1 ZINC000826328682 609287543 /nfs/dbraw/zinc/28/75/43/609287543.db2.gz ZCOGWPKYONPJQD-UHFFFAOYSA-N -1 3 372.360 3.315 20 0 FGADHM Cc1nc2cc(NC(=O)c3c(F)cc(-c4nn[n-]n4)cc3F)ccc2s1 ZINC000826328682 609287544 /nfs/dbraw/zinc/28/75/44/609287544.db2.gz ZCOGWPKYONPJQD-UHFFFAOYSA-N -1 3 372.360 3.315 20 0 FGADHM CSc1ccccc1COC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000826231242 609292496 /nfs/dbraw/zinc/29/24/96/609292496.db2.gz CUJFZFFGGXQXJF-LBPRGKRZSA-N -1 3 370.434 3.099 20 0 FGADHM CSc1ccccc1COC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000826231242 609292498 /nfs/dbraw/zinc/29/24/98/609292498.db2.gz CUJFZFFGGXQXJF-LBPRGKRZSA-N -1 3 370.434 3.099 20 0 FGADHM O=C(NCCc1cc2ccccc2o1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826439130 609292747 /nfs/dbraw/zinc/29/27/47/609292747.db2.gz GJTLXYPOWKNZBV-UHFFFAOYSA-N -1 3 367.796 3.239 20 0 FGADHM O=C(NCCc1cc2ccccc2o1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826439130 609292748 /nfs/dbraw/zinc/29/27/48/609292748.db2.gz GJTLXYPOWKNZBV-UHFFFAOYSA-N -1 3 367.796 3.239 20 0 FGADHM Cc1ccc(O[C@@H](C)CNC(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)cc1 ZINC000826291954 609301440 /nfs/dbraw/zinc/30/14/40/609301440.db2.gz CGEDSNYIWAGGSD-LBPRGKRZSA-N -1 3 371.828 3.026 20 0 FGADHM Cc1ccc(O[C@@H](C)CNC(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)cc1 ZINC000826291954 609301441 /nfs/dbraw/zinc/30/14/41/609301441.db2.gz CGEDSNYIWAGGSD-LBPRGKRZSA-N -1 3 371.828 3.026 20 0 FGADHM Clc1ccc(CSc2nc3c(cc2-c2nnn[n-]2)CCCC3)nc1 ZINC000826352167 609308165 /nfs/dbraw/zinc/30/81/65/609308165.db2.gz QJQFGAGDRBWPFL-UHFFFAOYSA-N -1 3 358.858 3.481 20 0 FGADHM Clc1ccc(CSc2nc3c(cc2-c2nn[n-]n2)CCCC3)nc1 ZINC000826352167 609308167 /nfs/dbraw/zinc/30/81/67/609308167.db2.gz QJQFGAGDRBWPFL-UHFFFAOYSA-N -1 3 358.858 3.481 20 0 FGADHM Fc1ccc(F)c(OCc2ccc(-c3nnn[n-]3)cc2Br)c1 ZINC000826375717 609311695 /nfs/dbraw/zinc/31/16/95/609311695.db2.gz ZIDXKMJITZKYGH-UHFFFAOYSA-N -1 3 367.153 3.486 20 0 FGADHM Fc1ccc(F)c(OCc2ccc(-c3nn[n-]n3)cc2Br)c1 ZINC000826375717 609311696 /nfs/dbraw/zinc/31/16/96/609311696.db2.gz ZIDXKMJITZKYGH-UHFFFAOYSA-N -1 3 367.153 3.486 20 0 FGADHM CC(C)CN(C(=O)[C@@H](F)Cc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824249412 609312112 /nfs/dbraw/zinc/31/21/12/609312112.db2.gz NAFURYQAOODPSF-SFHVURJKSA-N -1 3 367.428 3.437 20 0 FGADHM CC(C)CN(C(=O)[C@@H](F)Cc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824249412 609312113 /nfs/dbraw/zinc/31/21/13/609312113.db2.gz NAFURYQAOODPSF-SFHVURJKSA-N -1 3 367.428 3.437 20 0 FGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H](F)Cc1ccccc1 ZINC000824293489 609312176 /nfs/dbraw/zinc/31/21/76/609312176.db2.gz OAWNLFQCFQACNE-GOSISDBHSA-N -1 3 367.428 3.185 20 0 FGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H](F)Cc1ccccc1 ZINC000824293489 609312177 /nfs/dbraw/zinc/31/21/77/609312177.db2.gz OAWNLFQCFQACNE-GOSISDBHSA-N -1 3 367.428 3.185 20 0 FGADHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(N(C)C[C@@H]3CCCC[C@@H]3O)c2c1 ZINC000826263706 609324549 /nfs/dbraw/zinc/32/45/49/609324549.db2.gz MXJHDVABZWUKGA-YOEHRIQHSA-N -1 3 366.469 3.019 20 0 FGADHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(N(C)C[C@@H]3CCCC[C@@H]3O)c2c1 ZINC000826263706 609324551 /nfs/dbraw/zinc/32/45/51/609324551.db2.gz MXJHDVABZWUKGA-YOEHRIQHSA-N -1 3 366.469 3.019 20 0 FGADHM C[C@@H](NC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1)c1ccc[nH]1 ZINC000824522451 609332122 /nfs/dbraw/zinc/33/21/22/609332122.db2.gz SWDVNMDQELDFLH-CYBMUJFWSA-N -1 3 374.404 3.478 20 0 FGADHM C[C@@H](NC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1)c1ccc[nH]1 ZINC000824522451 609332124 /nfs/dbraw/zinc/33/21/24/609332124.db2.gz SWDVNMDQELDFLH-CYBMUJFWSA-N -1 3 374.404 3.478 20 0 FGADHM COCCOc1ccccc1N[C@H](C)c1ccc(-c2nnn[n-]2)cc1F ZINC000826163039 609349532 /nfs/dbraw/zinc/34/95/32/609349532.db2.gz DJTDWAPAWNIIIX-GFCCVEGCSA-N -1 3 357.389 3.204 20 0 FGADHM COCCOc1ccccc1N[C@H](C)c1ccc(-c2nn[n-]n2)cc1F ZINC000826163039 609349534 /nfs/dbraw/zinc/34/95/34/609349534.db2.gz DJTDWAPAWNIIIX-GFCCVEGCSA-N -1 3 357.389 3.204 20 0 FGADHM COc1cc(OC)c(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2F)cc1F ZINC000826180953 609349646 /nfs/dbraw/zinc/34/96/46/609349646.db2.gz FRZWHTFUUDYWJO-VIFPVBQESA-N -1 3 361.352 3.335 20 0 FGADHM COc1cc(OC)c(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2F)cc1F ZINC000826180953 609349648 /nfs/dbraw/zinc/34/96/48/609349648.db2.gz FRZWHTFUUDYWJO-VIFPVBQESA-N -1 3 361.352 3.335 20 0 FGADHM CSCCOC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826228884 609352152 /nfs/dbraw/zinc/35/21/52/609352152.db2.gz FKHZCSXBHMBQCD-UHFFFAOYSA-N -1 3 356.407 3.179 20 0 FGADHM CSCCOC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826228884 609352153 /nfs/dbraw/zinc/35/21/53/609352153.db2.gz FKHZCSXBHMBQCD-UHFFFAOYSA-N -1 3 356.407 3.179 20 0 FGADHM C[C@H](c1ccncc1)N(C)Cc1ccc(-c2nnn[n-]2)cc1Br ZINC000824770061 609365804 /nfs/dbraw/zinc/36/58/04/609365804.db2.gz DEFTVHRQYCSOLH-LLVKDONJSA-N -1 3 373.258 3.217 20 0 FGADHM C[C@H](c1ccncc1)N(C)Cc1ccc(-c2nn[n-]n2)cc1Br ZINC000824770061 609365806 /nfs/dbraw/zinc/36/58/06/609365806.db2.gz DEFTVHRQYCSOLH-LLVKDONJSA-N -1 3 373.258 3.217 20 0 FGADHM Fc1cc(N[C@@H]2CCCOC2)ccc1OCc1cccc(-c2nnn[n-]2)c1 ZINC000826372515 609369763 /nfs/dbraw/zinc/36/97/63/609369763.db2.gz ADFWVPKCUWJRTD-MRXNPFEDSA-N -1 3 369.400 3.176 20 0 FGADHM Fc1cc(N[C@@H]2CCCOC2)ccc1OCc1cccc(-c2nn[n-]n2)c1 ZINC000826372515 609369766 /nfs/dbraw/zinc/36/97/66/609369766.db2.gz ADFWVPKCUWJRTD-MRXNPFEDSA-N -1 3 369.400 3.176 20 0 FGADHM Cc1sc(NC(=O)C[C@H]2CCO[C@H](C(C)C)C2)c(-c2nnn[n-]2)c1C ZINC000826349631 609372317 /nfs/dbraw/zinc/37/23/17/609372317.db2.gz OFZSTPKNJZPKGW-STQMWFEESA-N -1 3 363.487 3.325 20 0 FGADHM Cc1sc(NC(=O)C[C@H]2CCO[C@H](C(C)C)C2)c(-c2nn[n-]n2)c1C ZINC000826349631 609372320 /nfs/dbraw/zinc/37/23/20/609372320.db2.gz OFZSTPKNJZPKGW-STQMWFEESA-N -1 3 363.487 3.325 20 0 FGADHM CCc1cc(NC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)ccc1C ZINC000825700708 609384118 /nfs/dbraw/zinc/38/41/18/609384118.db2.gz QBHJITQYHOKICM-UHFFFAOYSA-N -1 3 354.389 3.198 20 0 FGADHM CCc1cc(NC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)ccc1C ZINC000825700708 609384119 /nfs/dbraw/zinc/38/41/19/609384119.db2.gz QBHJITQYHOKICM-UHFFFAOYSA-N -1 3 354.389 3.198 20 0 FGADHM C[C@H](NC(=O)N1CC[C@]2(CC[C@@H](C)C2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824917852 609401598 /nfs/dbraw/zinc/40/15/98/609401598.db2.gz OCVCAQLMWMTDOA-TYILLQQXSA-N -1 3 354.458 3.149 20 0 FGADHM C[C@H](NC(=O)N1CC[C@]2(CC[C@@H](C)C2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824917852 609401600 /nfs/dbraw/zinc/40/16/00/609401600.db2.gz OCVCAQLMWMTDOA-TYILLQQXSA-N -1 3 354.458 3.149 20 0 FGADHM O=C1[C@@H](Sc2ccccc2)CCCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000826478285 609414244 /nfs/dbraw/zinc/41/42/44/609414244.db2.gz YJPYHWJOQHQZON-INIZCTEOSA-N -1 3 351.435 3.154 20 0 FGADHM O=C1[C@@H](Sc2ccccc2)CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826478285 609414245 /nfs/dbraw/zinc/41/42/45/609414245.db2.gz YJPYHWJOQHQZON-INIZCTEOSA-N -1 3 351.435 3.154 20 0 FGADHM CCN(C(=O)c1sccc1COC)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825391376 609444610 /nfs/dbraw/zinc/44/46/10/609444610.db2.gz YRXBEPUUTUQWEL-GFCCVEGCSA-N -1 3 371.466 3.298 20 0 FGADHM CCN(C(=O)c1sccc1COC)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825391376 609444612 /nfs/dbraw/zinc/44/46/12/609444612.db2.gz YRXBEPUUTUQWEL-GFCCVEGCSA-N -1 3 371.466 3.298 20 0 FGADHM Cc1nc(CNc2ccn(-c3ccc(Cl)cc3-c3nnn[n-]3)n2)cs1 ZINC000826326472 609447008 /nfs/dbraw/zinc/44/70/08/609447008.db2.gz QRAIEDGKHCJGAJ-UHFFFAOYSA-N -1 3 372.845 3.083 20 0 FGADHM Cc1nc(CNc2ccn(-c3ccc(Cl)cc3-c3nn[n-]n3)n2)cs1 ZINC000826326472 609447010 /nfs/dbraw/zinc/44/70/10/609447010.db2.gz QRAIEDGKHCJGAJ-UHFFFAOYSA-N -1 3 372.845 3.083 20 0 FGADHM Cc1noc([C@H](C)Sc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)n1 ZINC000826338547 609451623 /nfs/dbraw/zinc/45/16/23/609451623.db2.gz ZMPVMQGKROLGMK-LURJTMIESA-N -1 3 356.333 3.430 20 0 FGADHM Cc1noc([C@H](C)Sc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)n1 ZINC000826338547 609451625 /nfs/dbraw/zinc/45/16/25/609451625.db2.gz ZMPVMQGKROLGMK-LURJTMIESA-N -1 3 356.333 3.430 20 0 FGADHM C[C@@H]1CCC[C@@H]1C(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000824929174 609468685 /nfs/dbraw/zinc/46/86/85/609468685.db2.gz WWWQJOYUSCBUOT-ABAIWWIYSA-N -1 3 368.466 3.289 20 0 FGADHM C[C@@H]1CCC[C@@H]1C(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000824929174 609468688 /nfs/dbraw/zinc/46/86/88/609468688.db2.gz WWWQJOYUSCBUOT-ABAIWWIYSA-N -1 3 368.466 3.289 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC[C@@H]1CCOc2ccccc21 ZINC000825626092 609475986 /nfs/dbraw/zinc/47/59/86/609475986.db2.gz IKSVWXZOPPSCTE-AWEZNQCLSA-N -1 3 351.410 3.244 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC[C@@H]1CCOc2ccccc21 ZINC000825626092 609475988 /nfs/dbraw/zinc/47/59/88/609475988.db2.gz IKSVWXZOPPSCTE-AWEZNQCLSA-N -1 3 351.410 3.244 20 0 FGADHM Cc1c(NCc2ccc(Oc3cnccn3)cc2)cccc1-c1nnn[n-]1 ZINC000826242262 609486278 /nfs/dbraw/zinc/48/62/78/609486278.db2.gz HPFIUXSJBWXMGS-UHFFFAOYSA-N -1 3 359.393 3.370 20 0 FGADHM Cc1c(NCc2ccc(Oc3cnccn3)cc2)cccc1-c1nn[n-]n1 ZINC000826242262 609486281 /nfs/dbraw/zinc/48/62/81/609486281.db2.gz HPFIUXSJBWXMGS-UHFFFAOYSA-N -1 3 359.393 3.370 20 0 FGADHM CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)cc1-c1nnn[n-]1 ZINC000825552608 609487804 /nfs/dbraw/zinc/48/78/04/609487804.db2.gz BBTYNLANBMKNTP-UHFFFAOYSA-N -1 3 356.361 3.186 20 0 FGADHM CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)cc1-c1nn[n-]n1 ZINC000825552608 609487806 /nfs/dbraw/zinc/48/78/06/609487806.db2.gz BBTYNLANBMKNTP-UHFFFAOYSA-N -1 3 356.361 3.186 20 0 FGADHM CCOC(=O)c1ccc(CNc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)o1 ZINC000825559141 609491628 /nfs/dbraw/zinc/49/16/28/609491628.db2.gz CDOAJEYKOZEVPF-UHFFFAOYSA-N -1 3 371.397 3.036 20 0 FGADHM CCOC(=O)c1ccc(CNc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)o1 ZINC000825559141 609491631 /nfs/dbraw/zinc/49/16/31/609491631.db2.gz CDOAJEYKOZEVPF-UHFFFAOYSA-N -1 3 371.397 3.036 20 0 FGADHM Cc1cccc2ncc(CNc3ccc(OC(C)C)c(-c4nnn[n-]4)c3)n21 ZINC000826305088 609494145 /nfs/dbraw/zinc/49/41/45/609494145.db2.gz JYCRDJUXZYCTQX-UHFFFAOYSA-N -1 3 363.425 3.222 20 0 FGADHM Cc1cccc2ncc(CNc3ccc(OC(C)C)c(-c4nn[n-]n4)c3)n21 ZINC000826305088 609494146 /nfs/dbraw/zinc/49/41/46/609494146.db2.gz JYCRDJUXZYCTQX-UHFFFAOYSA-N -1 3 363.425 3.222 20 0 FGADHM CCc1ccccc1NC(=O)c1cc(C)n(-c2cccc(-c3nnn[n-]3)c2)n1 ZINC000825723290 609508554 /nfs/dbraw/zinc/50/85/54/609508554.db2.gz WQOWALDQDDGKQZ-UHFFFAOYSA-N -1 3 373.420 3.176 20 0 FGADHM CCc1ccccc1NC(=O)c1cc(C)n(-c2cccc(-c3nn[n-]n3)c2)n1 ZINC000825723290 609508555 /nfs/dbraw/zinc/50/85/55/609508555.db2.gz WQOWALDQDDGKQZ-UHFFFAOYSA-N -1 3 373.420 3.176 20 0 FGADHM C[C@@H]1CCC[C@@H]1C(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000824925459 609509579 /nfs/dbraw/zinc/50/95/79/609509579.db2.gz CWKIRBKZICKPOF-MFKMUULPSA-N -1 3 354.439 3.365 20 0 FGADHM C[C@@H]1CCC[C@@H]1C(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000824925459 609509580 /nfs/dbraw/zinc/50/95/80/609509580.db2.gz CWKIRBKZICKPOF-MFKMUULPSA-N -1 3 354.439 3.365 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)c1ncc(C)cc1C ZINC000825609694 609512141 /nfs/dbraw/zinc/51/21/41/609512141.db2.gz REVSVWDCPISPSH-UHFFFAOYSA-N -1 3 373.800 3.150 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)c1ncc(C)cc1C ZINC000825609694 609512143 /nfs/dbraw/zinc/51/21/43/609512143.db2.gz REVSVWDCPISPSH-UHFFFAOYSA-N -1 3 373.800 3.150 20 0 FGADHM COc1ccc(N(C#N)Cc2cccc(-c3nnn[n-]3)c2F)cc1Cl ZINC000826208835 609524129 /nfs/dbraw/zinc/52/41/29/609524129.db2.gz BUBUVKKPMNIUGW-UHFFFAOYSA-N -1 3 358.764 3.155 20 0 FGADHM COc1ccc(N(C#N)Cc2cccc(-c3nn[n-]n3)c2F)cc1Cl ZINC000826208835 609524132 /nfs/dbraw/zinc/52/41/32/609524132.db2.gz BUBUVKKPMNIUGW-UHFFFAOYSA-N -1 3 358.764 3.155 20 0 FGADHM Cc1ccnc(N[C@@H](c2ccc3c(c2)OCCO3)C(C)C)c1-c1nnn[n-]1 ZINC000826311906 609525494 /nfs/dbraw/zinc/52/54/94/609525494.db2.gz QLWUPBLLTAGZBN-QGZVFWFLSA-N -1 3 366.425 3.151 20 0 FGADHM Cc1ccnc(N[C@@H](c2ccc3c(c2)OCCO3)C(C)C)c1-c1nn[n-]n1 ZINC000826311906 609525495 /nfs/dbraw/zinc/52/54/95/609525495.db2.gz QLWUPBLLTAGZBN-QGZVFWFLSA-N -1 3 366.425 3.151 20 0 FGADHM Cc1ccnc(NCc2ccccc2OC(F)(F)F)c1-c1nnn[n-]1 ZINC000826314324 609527927 /nfs/dbraw/zinc/52/79/27/609527927.db2.gz RAYIMVDWAFUXGV-UHFFFAOYSA-N -1 3 350.304 3.081 20 0 FGADHM Cc1ccnc(NCc2ccccc2OC(F)(F)F)c1-c1nn[n-]n1 ZINC000826314324 609527928 /nfs/dbraw/zinc/52/79/28/609527928.db2.gz RAYIMVDWAFUXGV-UHFFFAOYSA-N -1 3 350.304 3.081 20 0 FGADHM Cc1nc([C@H]2CCCN(c3nccc(C)c3-c3nnn[n-]3)C2)sc1C ZINC000826309820 609544662 /nfs/dbraw/zinc/54/46/62/609544662.db2.gz CNDYYCSUXBPBRZ-ZDUSSCGKSA-N -1 3 355.471 3.027 20 0 FGADHM Cc1nc([C@H]2CCCN(c3nccc(C)c3-c3nn[n-]n3)C2)sc1C ZINC000826309820 609544663 /nfs/dbraw/zinc/54/46/63/609544663.db2.gz CNDYYCSUXBPBRZ-ZDUSSCGKSA-N -1 3 355.471 3.027 20 0 FGADHM Cc1ccnc(NC[C@@H](O)c2ccc(C(C)(C)C)cc2)c1-c1nnn[n-]1 ZINC000826312551 609555898 /nfs/dbraw/zinc/55/58/98/609555898.db2.gz HUCVHXJWNONDLI-OAHLLOKOSA-N -1 3 352.442 3.013 20 0 FGADHM Cc1ccnc(NC[C@@H](O)c2ccc(C(C)(C)C)cc2)c1-c1nn[n-]n1 ZINC000826312551 609555900 /nfs/dbraw/zinc/55/59/00/609555900.db2.gz HUCVHXJWNONDLI-OAHLLOKOSA-N -1 3 352.442 3.013 20 0 FGADHM Cc1ccc([C@H]2OCCC[C@@H]2CNc2nccc(C)c2-c2nnn[n-]2)cc1 ZINC000826285567 609563887 /nfs/dbraw/zinc/56/38/87/609563887.db2.gz CWXBDJOYBKSBFW-SJLPKXTDSA-N -1 3 364.453 3.458 20 0 FGADHM Cc1ccc([C@H]2OCCC[C@@H]2CNc2nccc(C)c2-c2nn[n-]n2)cc1 ZINC000826285567 609563889 /nfs/dbraw/zinc/56/38/89/609563889.db2.gz CWXBDJOYBKSBFW-SJLPKXTDSA-N -1 3 364.453 3.458 20 0 FGADHM Cc1ccnc(NCc2nccn2CCCc2ccccc2)c1-c1nnn[n-]1 ZINC000826314690 609573526 /nfs/dbraw/zinc/57/35/26/609573526.db2.gz IYVOLJRJQKGZEU-UHFFFAOYSA-N -1 3 374.452 3.012 20 0 FGADHM Cc1ccnc(NCc2nccn2CCCc2ccccc2)c1-c1nn[n-]n1 ZINC000826314690 609573527 /nfs/dbraw/zinc/57/35/27/609573527.db2.gz IYVOLJRJQKGZEU-UHFFFAOYSA-N -1 3 374.452 3.012 20 0 FGADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N(C)C[C@H]1CC=CCC1 ZINC000824207119 609607582 /nfs/dbraw/zinc/60/75/82/609607582.db2.gz PXVZJHVJKIGWMH-YJBOKZPZSA-N -1 3 369.469 3.085 20 0 FGADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N(C)C[C@H]1CC=CCC1 ZINC000824207119 609607584 /nfs/dbraw/zinc/60/75/84/609607584.db2.gz PXVZJHVJKIGWMH-YJBOKZPZSA-N -1 3 369.469 3.085 20 0 FGADHM CC(C)CCO[C@H](C)C(=O)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000824249929 609615233 /nfs/dbraw/zinc/61/52/33/609615233.db2.gz YFUBGQUVJXQUBY-LLVKDONJSA-N -1 3 352.822 3.015 20 0 FGADHM CC(C)CCO[C@H](C)C(=O)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000824249929 609615235 /nfs/dbraw/zinc/61/52/35/609615235.db2.gz YFUBGQUVJXQUBY-LLVKDONJSA-N -1 3 352.822 3.015 20 0 FGADHM Cc1c(C(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)cnn1C(C)(C)C ZINC000826234875 609618749 /nfs/dbraw/zinc/61/87/49/609618749.db2.gz RTVSWQDWWAJHNK-UHFFFAOYSA-N -1 3 374.832 3.137 20 0 FGADHM Cc1c(C(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)cnn1C(C)(C)C ZINC000826234875 609618751 /nfs/dbraw/zinc/61/87/51/609618751.db2.gz RTVSWQDWWAJHNK-UHFFFAOYSA-N -1 3 374.832 3.137 20 0 FGADHM CCc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)cc1 ZINC000003022242 695536624 /nfs/dbraw/zinc/53/66/24/695536624.db2.gz XODCPMIAHNVTPM-UHFFFAOYSA-N -1 3 362.426 3.081 20 0 FGADHM Cc1cc(Br)ccc1NC(=O)COC(=O)c1ccc([O-])cc1 ZINC000003507903 695540766 /nfs/dbraw/zinc/54/07/66/695540766.db2.gz VXUIBRISGGCSRD-UHFFFAOYSA-N -1 3 364.195 3.259 20 0 FGADHM C[C@H](NC(=O)COC(=O)c1cc(Cl)c(Cl)[n-]1)c1ccc(F)cc1 ZINC000011809888 695602678 /nfs/dbraw/zinc/60/26/78/695602678.db2.gz ZHPJCNVPAXVLGQ-QMMMGPOBSA-N -1 3 359.184 3.495 20 0 FGADHM C[C@@H](OC(=O)c1cc(Cl)c(Cl)[n-]1)c1nc2ccccc2c(=O)[nH]1 ZINC000011810043 695602802 /nfs/dbraw/zinc/60/28/02/695602802.db2.gz ZUTKYUSLZIYNAO-SSDOTTSWSA-N -1 3 352.177 3.476 20 0 FGADHM C[C@@H](OC(=O)c1ccc([O-])cc1)C(=O)Nc1cccc(Br)c1 ZINC000015645241 695620452 /nfs/dbraw/zinc/62/04/52/695620452.db2.gz IXEYGRKPQRXRHG-SNVBAGLBSA-N -1 3 364.195 3.339 20 0 FGADHM C[C@@H](OC(=O)c1cc(Cl)c(Cl)[n-]1)C(=O)NCc1ccc(F)cc1 ZINC000021730873 695647819 /nfs/dbraw/zinc/64/78/19/695647819.db2.gz QLQQEYVJWRSNFS-MRVPVSSYSA-N -1 3 359.184 3.322 20 0 FGADHM O=c1nc(CSc2nncn2C2CC2)[n-]c2scc(-c3ccco3)c21 ZINC000025244354 695673683 /nfs/dbraw/zinc/67/36/83/695673683.db2.gz BKESGFRLJGLCKX-UHFFFAOYSA-N -1 3 371.447 3.463 20 0 FGADHM CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000027705832 695696213 /nfs/dbraw/zinc/69/62/13/695696213.db2.gz GICUUNMABBXZEB-BBRMVZONSA-N -1 3 370.490 3.211 20 0 FGADHM Cc1nc(C)c(CC(=O)Nc2nc(-c3cccc(Cl)c3)cs2)c(=O)[n-]1 ZINC000031418859 695735113 /nfs/dbraw/zinc/73/51/13/695735113.db2.gz HZBVMOLBDYRUEN-UHFFFAOYSA-N -1 3 374.853 3.345 20 0 FGADHM Cc1nc(C2([N-]S(=O)(=O)c3ccc(C)c(F)c3)CCCCCC2)no1 ZINC000032435064 695744599 /nfs/dbraw/zinc/74/45/99/695744599.db2.gz XWRLZQFXEHXGCY-UHFFFAOYSA-N -1 3 367.446 3.354 20 0 FGADHM COc1cc[n-]c(=NNC(=S)Nc2ccc(SC(F)F)cc2)n1 ZINC000046103591 695832104 /nfs/dbraw/zinc/83/21/04/695832104.db2.gz NCUDPRVDPHWTII-UHFFFAOYSA-N -1 3 357.411 3.113 20 0 FGADHM O=C(OCc1cccc(Cl)c1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000046333346 695837903 /nfs/dbraw/zinc/83/79/03/695837903.db2.gz HAWBVRQNMBZHDX-INIZCTEOSA-N -1 3 359.809 3.394 20 0 FGADHM COc1cc[n-]c(=NNC(=O)c2cc3c(s2)-c2ccccc2CC3)n1 ZINC000046364571 695838624 /nfs/dbraw/zinc/83/86/24/695838624.db2.gz FKZMWGFOAWXCFM-UHFFFAOYSA-N -1 3 352.419 3.069 20 0 FGADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3sccc3C#N)nc(=O)c2c1C ZINC000052224247 695920752 /nfs/dbraw/zinc/92/07/52/695920752.db2.gz AEDKTBAZECOVHP-MRVPVSSYSA-N -1 3 359.432 3.453 20 0 FGADHM COC(=O)CCCCNC(=O)NN=c1[n-]c(Cl)c(Cl)cc1Cl ZINC000069245833 695948403 /nfs/dbraw/zinc/94/84/03/695948403.db2.gz NQPGYJOEXQUJCF-UHFFFAOYSA-N -1 3 369.636 3.011 20 0 FGADHM O=S(=O)([N-]C[C@H](O)c1ccc(Cl)cc1)c1ccc(Cl)s1 ZINC000074559808 700195607 /nfs/dbraw/zinc/19/56/07/700195607.db2.gz XKFBZTKZQPFJJB-JTQLQIEISA-N -1 3 352.264 3.067 20 0 FGADHM CN(C)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)cc1Cl ZINC000077673559 700261340 /nfs/dbraw/zinc/26/13/40/700261340.db2.gz PHYQZYUCYKFYSX-UHFFFAOYSA-N -1 3 352.843 3.142 20 0 FGADHM O=C(C[C@@H](O)c1cccc(F)c1)Nc1ccc(Br)cc1[O-] ZINC000091094225 700411965 /nfs/dbraw/zinc/41/19/65/700411965.db2.gz JQVDSTOPJAGESO-CYBMUJFWSA-N -1 3 354.175 3.356 20 0 FGADHM C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CN(Cc2cc(Cl)ccc2[O-])CCO1 ZINC000092018232 700430650 /nfs/dbraw/zinc/43/06/50/700430650.db2.gz OSYFQACYZXNOCK-WBMJQRKESA-N -1 3 370.877 3.160 20 0 FGADHM [O-]c1ccc(Br)cc1CN1CCN(c2ncccc2F)CC1 ZINC000093687182 700453350 /nfs/dbraw/zinc/45/33/50/700453350.db2.gz ZWPZYSAZNLOFIX-UHFFFAOYSA-N -1 3 366.234 3.011 20 0 FGADHM CCCNC(=O)c1cc(S(=O)(=O)[N-]CC(C)C)c(Cl)cc1Cl ZINC000098067827 700465163 /nfs/dbraw/zinc/46/51/63/700465163.db2.gz WJWUXWNOHQLZAB-UHFFFAOYSA-N -1 3 367.298 3.068 20 0 FGADHM C[C@H]1CCC[C@H](C)N1C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000103367117 700484200 /nfs/dbraw/zinc/48/42/00/700484200.db2.gz CEPRBTPOAOAMAG-STQMWFEESA-N -1 3 370.490 3.306 20 0 FGADHM Cc1cc(C)[n-]c(=NNC(=O)c2cc3cc(Br)ccc3o2)n1 ZINC000106135321 700506893 /nfs/dbraw/zinc/50/68/93/700506893.db2.gz LKJFOLQNEOLGJX-UHFFFAOYSA-N -1 3 361.199 3.359 20 0 FGADHM Cc1nc(C)c(CC(=O)O[C@@H](c2cccc(Cl)c2)C(F)(F)F)c(=O)[n-]1 ZINC000107032960 700513400 /nfs/dbraw/zinc/51/34/00/700513400.db2.gz ZFRXOMYZESVPPY-AWEZNQCLSA-N -1 3 374.746 3.429 20 0 FGADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]Cc1ccc(Cl)c(Cl)c1 ZINC000107415086 700516811 /nfs/dbraw/zinc/51/68/11/700516811.db2.gz JIBLAXVZRAKAJK-UHFFFAOYSA-N -1 3 368.673 3.167 20 0 FGADHM COC(=O)N(C)Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000117230265 700601636 /nfs/dbraw/zinc/60/16/36/700601636.db2.gz XFUCBIMKVBBUIQ-UHFFFAOYSA-N -1 3 362.451 3.302 20 0 FGADHM Cc1cc(F)c(S(=O)(=O)[N-][C@@H](C)C[C@H](O)c2ccccc2)cc1F ZINC000122745637 700694821 /nfs/dbraw/zinc/69/48/21/700694821.db2.gz CQUXJOJDEGZRTF-LRDDRELGSA-N -1 3 355.406 3.064 20 0 FGADHM O=C(/C=C/c1ccc(I)o1)Nc1cccc([O-])c1F ZINC000128706133 700778532 /nfs/dbraw/zinc/77/85/32/700778532.db2.gz XYEJARSDBAPLHW-FNORWQNLSA-N -1 3 373.121 3.381 20 0 FGADHM C[C@@H]1CCN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)C[C@H]1C ZINC000132048858 700823009 /nfs/dbraw/zinc/82/30/09/700823009.db2.gz ANMAGQIYYRBMGP-CHWSQXEVSA-N -1 3 370.490 3.021 20 0 FGADHM CS[C@@H]1CC[C@@H](NC(=O)NCc2ccc([O-])c(Br)c2)C1 ZINC000132850826 700832090 /nfs/dbraw/zinc/83/20/90/700832090.db2.gz RJVSPVHCBPKCLV-GHMZBOCLSA-N -1 3 359.289 3.238 20 0 FGADHM O=C(Cc1ccc(Cl)c(Cl)c1)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000135552822 704849372 /nfs/dbraw/zinc/84/93/72/704849372.db2.gz MFBHRHYPQFEESN-UHFFFAOYSA-N -1 3 362.220 3.279 20 0 FGADHM O=C(Cc1ccc(Cl)c(Cl)c1)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000135552822 704849379 /nfs/dbraw/zinc/84/93/79/704849379.db2.gz MFBHRHYPQFEESN-UHFFFAOYSA-N -1 3 362.220 3.279 20 0 FGADHM Cc1sc2[n-]c([C@@H](C)OC(=O)CCc3nccs3)nc(=O)c2c1C ZINC000138481149 704874101 /nfs/dbraw/zinc/87/41/01/704874101.db2.gz ZRKHRDPCRJWMEZ-SECBINFHSA-N -1 3 363.464 3.295 20 0 FGADHM Cc1ccc(C(=O)N2CCOCC2)cc1NCc1c([O-])cccc1Cl ZINC000151164691 704914103 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CCC(CC)[C@@H]1C[C@H]([N-]S(=O)(=O)c2cnc(Cl)c(F)c2)CCO1 ZINC000805057219 725047164 /nfs/dbraw/zinc/04/71/64/725047164.db2.gz QMMWUFGXXIZLIJ-RISCZKNCSA-N -1 3 364.870 3.136 20 0 FGADHM CSCCCCCC[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000805062564 725047578 /nfs/dbraw/zinc/04/75/78/725047578.db2.gz YOCXKBJWCORRON-UHFFFAOYSA-N -1 3 356.435 3.302 20 0 FGADHM CC[C@@]1(C)Oc2ccc([N-]S(=O)(=O)c3ccc(N(C)C)cc3)cc2O1 ZINC000788492950 725067894 /nfs/dbraw/zinc/06/78/94/725067894.db2.gz MLBHECABOZIQEL-SFHVURJKSA-N -1 3 362.451 3.451 20 0 FGADHM CCOC(=O)c1cc2ccccc2cc1[N-]S(=O)(=O)N(C)CC1CC1 ZINC000788500299 725068390 /nfs/dbraw/zinc/06/83/90/725068390.db2.gz JWVKSNPXUDLWPD-UHFFFAOYSA-N -1 3 362.451 3.015 20 0 FGADHM CCOC1CC(C(=O)O[C@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)C1 ZINC000805642134 725084185 /nfs/dbraw/zinc/08/41/85/725084185.db2.gz HJAAWGCAOBQDEY-OIKLOGQESA-N -1 3 350.440 3.433 20 0 FGADHM C[C@H](C(=O)Nc1ccc(Cl)cc1[O-])C1CN(C(=O)OC(C)(C)C)C1 ZINC000807150761 725154505 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FGADHM CSc1cccc(NC(=O)CNc2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000821984349 729137508 /nfs/dbraw/zinc/13/75/08/729137508.db2.gz NPWPXRYTJSOPMC-UHFFFAOYSA-N -1 3 374.857 3.293 20 0 FGADHM O=C(Nc1sccc1-c1nnn[n-]1)c1cccc(C(F)(F)F)c1F ZINC000823387670 729274232 /nfs/dbraw/zinc/27/42/32/729274232.db2.gz TZTQOQGUBKCTGF-UHFFFAOYSA-N -1 3 357.292 3.338 20 0 FGADHM O=C(Nc1sccc1-c1nn[n-]n1)c1cccc(C(F)(F)F)c1F ZINC000823387670 729274235 /nfs/dbraw/zinc/27/42/35/729274235.db2.gz TZTQOQGUBKCTGF-UHFFFAOYSA-N -1 3 357.292 3.338 20 0 FGADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)c2cc3ccnc(Cl)c3s2)n1 ZINC000824151258 729321596 /nfs/dbraw/zinc/32/15/96/729321596.db2.gz WVHMHWCQESSERG-UHFFFAOYSA-N -1 3 362.842 3.419 20 0 FGADHM CC(C)(C)OC(=O)c1ccc(NC(=O)c2[n-]cnc2C(F)(F)F)nc1 ZINC000824163219 729322330 /nfs/dbraw/zinc/32/23/30/729322330.db2.gz FUQDEDKDFNZOFA-UHFFFAOYSA-N -1 3 356.304 3.031 20 0 FGADHM CC(C)(C)OC(=O)c1ccc(NC(=O)c2nc[n-]c2C(F)(F)F)nc1 ZINC000824163219 729322332 /nfs/dbraw/zinc/32/23/32/729322332.db2.gz 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C[C@@H]1CN(c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)[C@H]2CCCC[C@@H]12 ZINC000825000601 729367351 /nfs/dbraw/zinc/36/73/51/729367351.db2.gz SVWKQLQTXKRMRF-SCVCMEIPSA-N -1 3 352.364 3.295 20 0 FGADHM CO[C@H]1CCCN(c2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)CC1 ZINC000826147222 729406228 /nfs/dbraw/zinc/40/62/28/729406228.db2.gz QFWACCKKYZERQT-LBPRGKRZSA-N -1 3 358.833 3.074 20 0 FGADHM CO[C@H]1CCCN(c2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)CC1 ZINC000826147222 729406232 /nfs/dbraw/zinc/40/62/32/729406232.db2.gz QFWACCKKYZERQT-LBPRGKRZSA-N -1 3 358.833 3.074 20 0 FGADHM ClC1(Cl)C[C@@H]1CNc1ccc(Br)cc1-c1nnn[n-]1 ZINC000826350371 729407314 /nfs/dbraw/zinc/40/73/14/729407314.db2.gz SRCGCBPDZYBCQF-ZCFIWIBFSA-N -1 3 363.046 3.235 20 0 FGADHM ClC1(Cl)C[C@@H]1CNc1ccc(Br)cc1-c1nn[n-]n1 ZINC000826350371 729407315 /nfs/dbraw/zinc/40/73/15/729407315.db2.gz SRCGCBPDZYBCQF-ZCFIWIBFSA-N -1 3 363.046 3.235 20 0 FGADHM FC(F)CN(CC1CCC1)c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000826369794 729407718 /nfs/dbraw/zinc/40/77/18/729407718.db2.gz 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729408372 /nfs/dbraw/zinc/40/83/72/729408372.db2.gz ZTUWJPBGBVKSBX-HNNXBMFYSA-N -1 3 354.797 3.293 20 0 FGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1)[C@H]1CCc2c1cccc2Cl ZINC000826466388 729408373 /nfs/dbraw/zinc/40/83/73/729408373.db2.gz ZTUWJPBGBVKSBX-HNNXBMFYSA-N -1 3 354.797 3.293 20 0 FGADHM O=C(c1c[n-]c2cc(F)c(F)cc2c1=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000828503622 729444297 /nfs/dbraw/zinc/44/42/97/729444297.db2.gz QWTNPXCFHQKNFX-QMMMGPOBSA-N -1 3 360.282 3.221 20 0 FGADHM COc1ccc2c(c1)CCC(S(=O)(=O)[N-]c1cnn(CC(C)C)c1)=C2 ZINC000829872042 729518729 /nfs/dbraw/zinc/51/87/29/729518729.db2.gz IDVSHPALRAMTQO-UHFFFAOYSA-N -1 3 361.467 3.277 20 0 FGADHM CCC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)nc1C(=O)OC)C(C)(C)C ZINC000832093965 729688741 /nfs/dbraw/zinc/68/87/41/729688741.db2.gz KIBLGUHGPATDET-LLVKDONJSA-N -1 3 362.879 3.015 20 0 FGADHM CC[C@@H]1CC[C@H](C)N(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)C1 ZINC000837094265 729992829 /nfs/dbraw/zinc/99/28/29/729992829.db2.gz BAJAFTZYGNDWAF-UONOGXRCSA-N -1 3 370.490 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FGADHM CC(C)Nc1ncccc1C(=O)Nc1nnc(-c2c(F)cccc2F)[n-]1 ZINC000081731176 493947336 /nfs/dbraw/zinc/94/73/36/493947336.db2.gz GMASOFFWYUPDLO-UHFFFAOYSA-N -1 3 358.352 3.218 20 0 FGADHM CC(C)Nc1ncccc1C(=O)Nc1nc(-c2c(F)cccc2F)n[n-]1 ZINC000081731176 493947339 /nfs/dbraw/zinc/94/73/39/493947339.db2.gz GMASOFFWYUPDLO-UHFFFAOYSA-N -1 3 358.352 3.218 20 0 FGADHM CC(C)Nc1ncccc1C(=O)Nc1n[n-]c(-c2c(F)cccc2F)n1 ZINC000081731176 493947343 /nfs/dbraw/zinc/94/73/43/493947343.db2.gz GMASOFFWYUPDLO-UHFFFAOYSA-N -1 3 358.352 3.218 20 0 FGADHM COc1ccc2cc(C(=O)Nc3n[n-]c(-c4ccccc4F)n3)[nH]c2c1 ZINC000076686927 493949964 /nfs/dbraw/zinc/94/99/64/493949964.db2.gz ZFVVDPVPNXSTJL-UHFFFAOYSA-N -1 3 351.341 3.353 20 0 FGADHM CCCCN(C(=O)c1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1)c1ccccc1 ZINC000081847735 493963192 /nfs/dbraw/zinc/96/31/92/493963192.db2.gz DXHIYHSCRRYXGB-NRFANRHFSA-N -1 3 365.433 3.188 20 0 FGADHM CCc1ccc([C@H](C)C(=O)N2CCN(C(=O)c3cccc([O-])c3)CC2)cc1 ZINC000069423640 493970071 /nfs/dbraw/zinc/97/00/71/493970071.db2.gz JQRIGJGKUDBHNG-INIZCTEOSA-N -1 3 366.461 3.043 20 0 FGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(NC(=O)CCc2ccco2)ccc1F ZINC000076921346 493988264 /nfs/dbraw/zinc/98/82/64/493988264.db2.gz RYPFBHHISMRZOP-UHFFFAOYSA-N -1 3 368.430 3.067 20 0 FGADHM O=S(=O)(C[C@@H]1CCCCO1)[N-]c1cccc(COCc2ccco2)c1 ZINC000076936203 493991035 /nfs/dbraw/zinc/99/10/35/493991035.db2.gz LTIPIRHTNVMPNK-SFHVURJKSA-N -1 3 365.451 3.307 20 0 FGADHM O=C(c1ccccc1)c1cccc([N-]S(=O)(=O)C[C@H]2CCCCO2)c1 ZINC000076936977 493992567 /nfs/dbraw/zinc/99/25/67/493992567.db2.gz IYQNAZYWFATVEM-GOSISDBHSA-N -1 3 359.447 3.228 20 0 FGADHM O=S(=O)([N-]Cc1cn2ccccc2n1)c1cccc(Cl)c1Cl ZINC000007050312 493997051 /nfs/dbraw/zinc/99/70/51/493997051.db2.gz VRMLQDIEOSOSEK-UHFFFAOYSA-N -1 3 356.234 3.120 20 0 FGADHM CCOc1ccc(S(=O)(=O)[N-]c2cc(OC)c(OC)cc2C)cc1 ZINC000007050690 493997207 /nfs/dbraw/zinc/99/72/07/493997207.db2.gz SAVHUNVUMCHOMG-UHFFFAOYSA-N -1 3 351.424 3.212 20 0 FGADHM CCC[C@H](C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)c1ccccc1 ZINC000076988697 494004297 /nfs/dbraw/zinc/00/42/97/494004297.db2.gz CRSBBVFWZGNDSW-SFHVURJKSA-N -1 3 366.461 3.261 20 0 FGADHM CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)CCCCC(=O)[O-] ZINC000568440177 505694246 /nfs/dbraw/zinc/69/42/46/505694246.db2.gz OBWXZGDJYKRHOC-GOSISDBHSA-N -1 3 360.498 3.221 20 0 FGADHM O=c1[n-]nc(SCc2ccc(Cl)c(Cl)c2)n1C[C@H]1CCCO1 ZINC000007350568 494016482 /nfs/dbraw/zinc/01/64/82/494016482.db2.gz UFZNOTVHJHRUCF-SNVBAGLBSA-N -1 3 360.266 3.350 20 0 FGADHM Cc1ccc(-n2cc(C(=O)[N-]c3nnc(-c4ccccc4)s3)nn2)cc1 ZINC000033246041 494053727 /nfs/dbraw/zinc/05/37/27/494053727.db2.gz RMDFCKRQNSTWJF-UHFFFAOYSA-N -1 3 362.418 3.347 20 0 FGADHM CCOCCOc1ccc(S(=O)(=O)[N-]c2ccc(OCC)cc2)cc1 ZINC000063442205 494054464 /nfs/dbraw/zinc/05/44/64/494054464.db2.gz HSEDJNOFMKGEEC-UHFFFAOYSA-N -1 3 365.451 3.301 20 0 FGADHM COc1ccccc1N1CCN(CC[C@H](C(=O)[O-])c2ccccc2)CC1 ZINC000033998168 494065540 /nfs/dbraw/zinc/06/55/40/494065540.db2.gz VKCWRJPQYUDHGK-SFHVURJKSA-N -1 3 354.450 3.076 20 0 FGADHM Cc1ccc(C(=O)N2CCC(C(=O)N3CCC[C@H](C)C3)CC2)c([O-])c1C ZINC000052900070 494074564 /nfs/dbraw/zinc/07/45/64/494074564.db2.gz OJANSHNMKYENFC-AWEZNQCLSA-N -1 3 358.482 3.120 20 0 FGADHM COc1ccc(C(C)(C)C[N-]S(=O)(=O)c2ccc(F)cc2F)cc1 ZINC000063773745 494086010 /nfs/dbraw/zinc/08/60/10/494086010.db2.gz GEROBAOBQOQIPR-UHFFFAOYSA-N -1 3 355.406 3.230 20 0 FGADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)CCC(=O)c3ccccc3)cc2)n1 ZINC000064374429 494118174 /nfs/dbraw/zinc/11/81/74/494118174.db2.gz LSQAVAUQEUJGNA-UHFFFAOYSA-N -1 3 361.401 3.347 20 0 FGADHM CO[C@H](C)c1noc(CCC(=O)Nc2cc(C(F)(F)F)ccc2[O-])n1 ZINC000085512100 494130400 /nfs/dbraw/zinc/13/04/00/494130400.db2.gz GAOBYTGHGLWYML-MRVPVSSYSA-N -1 3 359.304 3.073 20 0 FGADHM O=C(NCc1cccc(Br)c1)c1cc(=O)c2ccccc2[n-]1 ZINC000053455910 494133146 /nfs/dbraw/zinc/13/31/46/494133146.db2.gz HOWIXGKEXPNMCV-UHFFFAOYSA-N -1 3 357.207 3.221 20 0 FGADHM Cc1nc(C)c(CC(=O)N[C@@H](CC(C)(C)C)c2ccc(F)cc2)c(=O)[n-]1 ZINC000053888622 494174360 /nfs/dbraw/zinc/17/43/60/494174360.db2.gz NCDCXULZFJMVNS-KRWDZBQOSA-N -1 3 359.445 3.362 20 0 FGADHM CC[C@@H](C)NC(=O)c1ccc(NC(=O)c2cc(-c3ccco3)[n-]n2)cc1 ZINC000065127357 494174398 /nfs/dbraw/zinc/17/43/98/494174398.db2.gz BSKVRTUYGHYXCV-GFCCVEGCSA-N -1 3 352.394 3.450 20 0 FGADHM CC[C@@H](C)NC(=O)c1ccc(NC(=O)c2cc(-c3ccco3)n[n-]2)cc1 ZINC000065127357 494174402 /nfs/dbraw/zinc/17/44/02/494174402.db2.gz BSKVRTUYGHYXCV-GFCCVEGCSA-N -1 3 352.394 3.450 20 0 FGADHM O=S(=O)([N-]c1ccc(CCN2CCSCC2)cc1)c1ccccc1 ZINC000077888657 494198148 /nfs/dbraw/zinc/19/81/48/494198148.db2.gz ZLAKUSJHDQGQAG-UHFFFAOYSA-N -1 3 362.520 3.079 20 0 FGADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCC(c2c[nH]c3ncccc23)CC1 ZINC000065817932 494241781 /nfs/dbraw/zinc/24/17/81/494241781.db2.gz WVBRYIUQHNGNTL-UHFFFAOYSA-N -1 3 372.428 3.424 20 0 FGADHM O=C(NCc1ccc(-c2ccccc2)o1)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000065816410 494241892 /nfs/dbraw/zinc/24/18/92/494241892.db2.gz WNMWULXEAMWCKZ-UHFFFAOYSA-N -1 3 361.357 3.152 20 0 FGADHM CS[C@H](C)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000043007912 494257698 /nfs/dbraw/zinc/25/76/98/494257698.db2.gz HLNJLRAQXDBPCP-CYBMUJFWSA-N -1 3 364.492 3.486 20 0 FGADHM CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000078228828 494258161 /nfs/dbraw/zinc/25/81/61/494258161.db2.gz ROYABWBYPABOIP-GOSISDBHSA-N -1 3 355.482 3.107 20 0 FGADHM CCc1ccc([O-])c(C(=O)N[C@H](C)c2nc(Cc3ccccc3)no2)c1 ZINC000078249370 494261795 /nfs/dbraw/zinc/26/17/95/494261795.db2.gz VEDWRQSEMZAZTG-CYBMUJFWSA-N -1 3 351.406 3.419 20 0 FGADHM CC(=O)NCc1ccc(S(=O)(=O)[N-][C@@H]2C[C@H](C)CC[C@H]2C(C)C)s1 ZINC000055245427 494318317 /nfs/dbraw/zinc/31/83/17/494318317.db2.gz PYEWLYFOKHTCKD-UHOFOFEASA-N -1 3 372.556 3.123 20 0 FGADHM Cc1ccc2nc(C[N-]S(=O)(=O)c3c(Cl)cccc3Cl)cn2c1 ZINC000055296091 494323979 /nfs/dbraw/zinc/32/39/79/494323979.db2.gz MNZUFFOIXWIGCQ-UHFFFAOYSA-N -1 3 370.261 3.428 20 0 FGADHM C[C@H]1CCC[C@H](C)N1C(=O)CN1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000078657786 494337975 /nfs/dbraw/zinc/33/79/75/494337975.db2.gz VJTHRJURBPMLEN-HOTGVXAUSA-N -1 3 358.482 3.076 20 0 FGADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2C)cc1 ZINC000015246087 494343459 /nfs/dbraw/zinc/34/34/59/494343459.db2.gz SYBVMMRKZQNCBJ-UHFFFAOYSA-N -1 3 374.462 3.183 20 0 FGADHM CC(C)c1ccc(NC(=O)CC[N-]S(=O)(=O)c2ccccc2F)cc1 ZINC000015509392 494356823 /nfs/dbraw/zinc/35/68/23/494356823.db2.gz JMODUQVUYOIOQZ-UHFFFAOYSA-N -1 3 364.442 3.256 20 0 FGADHM Cc1nc(C)c(CCC(=O)N(Cc2ccc([C@H]3C[C@H]3C)o2)C2CC2)c(=O)[n-]1 ZINC000078794666 494362067 /nfs/dbraw/zinc/36/20/67/494362067.db2.gz GBUAODFZEARNME-XIKOKIGWSA-N -1 3 369.465 3.227 20 0 FGADHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(COCCOC)c2)cc1 ZINC000055632692 494377679 /nfs/dbraw/zinc/37/76/79/494377679.db2.gz JSPBCTYUTGEPPF-UHFFFAOYSA-N -1 3 365.451 3.049 20 0 FGADHM CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1Cl ZINC000055633029 494377823 /nfs/dbraw/zinc/37/78/23/494377823.db2.gz DOSBEZXXSJRVHJ-UHFFFAOYSA-N -1 3 369.826 3.311 20 0 FGADHM COCCCC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000044817984 494382119 /nfs/dbraw/zinc/38/21/19/494382119.db2.gz MVDXXRQTHOQJLZ-UHFFFAOYSA-N -1 3 362.451 3.161 20 0 FGADHM COc1cccc(C(=O)NCc2nn(-c3ccccc3)c3c2CCC3)c1[O-] ZINC000079051055 494396500 /nfs/dbraw/zinc/39/65/00/494396500.db2.gz ACFCNMGJUNGMLP-UHFFFAOYSA-N -1 3 363.417 3.005 20 0 FGADHM O=c1nc(CN2CCOC[C@H]2C2CC2)[n-]c2sc(-c3ccccc3)cc21 ZINC000090007987 494427103 /nfs/dbraw/zinc/42/71/03/494427103.db2.gz XTLZHLFTZFIKCY-INIZCTEOSA-N -1 3 367.474 3.262 20 0 FGADHM O=C([N-]c1nnc(C(F)(F)F)s1)c1cnc(-c2ccccc2)nc1 ZINC000066914416 494438092 /nfs/dbraw/zinc/43/80/92/494438092.db2.gz NIINYWSAVZTDJJ-UHFFFAOYSA-N -1 3 351.313 3.266 20 0 FGADHM CC(C)c1ccc(NC(=O)[C@H](C)[N-]S(=O)(=O)c2cccs2)cc1 ZINC000056064004 494449001 /nfs/dbraw/zinc/44/90/01/494449001.db2.gz ZLIGTTVXNMIYEA-LBPRGKRZSA-N -1 3 352.481 3.177 20 0 FGADHM Cc1ocnc1C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000090446599 494467544 /nfs/dbraw/zinc/46/75/44/494467544.db2.gz DENSTBAQCPJGBZ-UHFFFAOYSA-N -1 3 354.737 3.134 20 0 FGADHM Cc1cc(=O)c(C(=O)Nc2cc(Cl)ccc2[O-])nn1-c1ccccc1 ZINC000067145511 494483578 /nfs/dbraw/zinc/48/35/78/494483578.db2.gz WGQHJGQSURHVGR-UHFFFAOYSA-N -1 3 355.781 3.152 20 0 FGADHM O=C(Nc1cc(Cl)ccc1[O-])c1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000067145382 494484130 /nfs/dbraw/zinc/48/41/30/494484130.db2.gz UJYOEAUZOPZFFY-MRXNPFEDSA-N -1 3 360.797 3.415 20 0 FGADHM CCOc1ccc(CN2CCN(C(=O)c3cc(C)ccc3[O-])CC2)cc1 ZINC000021475755 494497185 /nfs/dbraw/zinc/49/71/85/494497185.db2.gz TXNJSBVULWXVMW-UHFFFAOYSA-N -1 3 354.450 3.057 20 0 FGADHM COC[C@H]([N-]S(=O)(=O)c1cccc(F)c1C)c1ccc(F)c(F)c1 ZINC000091056526 494521029 /nfs/dbraw/zinc/52/10/29/494521029.db2.gz ZOAXKCAITZHXIU-HNNXBMFYSA-N -1 3 359.369 3.078 20 0 FGADHM CC[C@@H](NC(=O)NCc1ccc([O-])c(F)c1)[C@@H](O)c1c(F)cccc1F ZINC000074374929 494526435 /nfs/dbraw/zinc/52/64/35/494526435.db2.gz ICALPBJBJRIEIY-RHSMWYFYSA-N -1 3 368.355 3.121 20 0 FGADHM CC(C)Cn1ncc2cc(-c3nc(-c4ccc5n[n-]nc5c4)no3)cnc21 ZINC000577443981 505728299 /nfs/dbraw/zinc/72/82/99/505728299.db2.gz WYWFYOZIJDQTKY-UHFFFAOYSA-N -1 3 360.381 3.076 20 0 FGADHM COc1ccc(C(=O)N(C)Cc2ccccc2Br)c([O-])c1 ZINC000023572200 494571355 /nfs/dbraw/zinc/57/13/55/494571355.db2.gz AHFJRKKVJJBWLM-UHFFFAOYSA-N -1 3 350.212 3.436 20 0 FGADHM CC(C)(C)Oc1ccc(C(=O)NCCCNC(=O)c2cccc([O-])c2)cc1 ZINC000080022805 494571838 /nfs/dbraw/zinc/57/18/38/494571838.db2.gz YZZYPJSGTODYJA-UHFFFAOYSA-N -1 3 370.449 3.119 20 0 FGADHM CCCn1c(=O)[n-]nc1S[C@H](C)C(=O)N1c2ccccc2CC[C@@H]1C ZINC000023763951 494580863 /nfs/dbraw/zinc/58/08/63/494580863.db2.gz DQSOWXACPNRJSU-QWHCGFSZSA-N -1 3 360.483 3.242 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)C1(c2cccc(F)c2)CCCC1 ZINC000121086047 494589065 /nfs/dbraw/zinc/58/90/65/494589065.db2.gz AXISHMXZGGGJSO-UHFFFAOYSA-N -1 3 351.385 3.456 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)C1(c2cccc(F)c2)CCCC1 ZINC000121086047 494589068 /nfs/dbraw/zinc/58/90/68/494589068.db2.gz AXISHMXZGGGJSO-UHFFFAOYSA-N -1 3 351.385 3.456 20 0 FGADHM COc1ccc(CC(=O)Nc2ccc(Br)cc2[O-])cc1F ZINC000125981029 494595597 /nfs/dbraw/zinc/59/55/97/494595597.db2.gz GWFSPQVBSXXDKB-UHFFFAOYSA-N -1 3 354.175 3.484 20 0 FGADHM CCCn1c(=O)[n-]nc1S[C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000125980920 494596258 /nfs/dbraw/zinc/59/62/58/494596258.db2.gz IAVPGUFRUPGDQV-CYBMUJFWSA-N -1 3 366.874 3.335 20 0 FGADHM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(-n2cncn2)c(F)c1 ZINC000067659692 494601583 /nfs/dbraw/zinc/60/15/83/494601583.db2.gz AIPFIXGDIKIRQU-UHFFFAOYSA-N -1 3 366.805 3.169 20 0 FGADHM Cc1nc(C2CCCC2)sc1C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000080119401 494602301 /nfs/dbraw/zinc/60/23/01/494602301.db2.gz QIDZLASFUCYUOF-UHFFFAOYSA-N -1 3 368.466 3.219 20 0 FGADHM Cc1nc(C2CCCC2)sc1C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000080119401 494602307 /nfs/dbraw/zinc/60/23/07/494602307.db2.gz QIDZLASFUCYUOF-UHFFFAOYSA-N -1 3 368.466 3.219 20 0 FGADHM CCc1ccc([O-])c(C(=O)NC2CCN([C@H](C)c3ccncc3)CC2)c1 ZINC000121161899 494624159 /nfs/dbraw/zinc/62/41/59/494624159.db2.gz GWIFUXGKWICFAX-OAHLLOKOSA-N -1 3 353.466 3.305 20 0 FGADHM C[C@@H]1CCN(C(=O)c2ccc([N-]S(C)(=O)=O)cc2)[C@@H]2CCCC[C@H]12 ZINC000057083323 494640031 /nfs/dbraw/zinc/64/00/31/494640031.db2.gz UNFHDFJHSSHDCX-KBRIMQKVSA-N -1 3 350.484 3.099 20 0 FGADHM C[C@H](C(=O)Nc1ccccc1Br)[S@](=O)c1ccc([O-])cc1 ZINC000108084311 494644106 /nfs/dbraw/zinc/64/41/06/494644106.db2.gz GLUBEBVTBQAVST-LADRHHBVSA-N -1 3 368.252 3.290 20 0 FGADHM Cc1ccc(N(C(=O)CCc2c(C)nc(C)[n-]c2=O)C2CCCCC2)nc1 ZINC000108204085 494661776 /nfs/dbraw/zinc/66/17/76/494661776.db2.gz ANNMOJWVHNRWNT-UHFFFAOYSA-N -1 3 368.481 3.389 20 0 FGADHM C[C@H]([N-]S(=O)(=O)CC1CCCCC1)c1noc(Cc2ccccc2)n1 ZINC000080280979 494663979 /nfs/dbraw/zinc/66/39/79/494663979.db2.gz MISHJPLDWNOKKE-AWEZNQCLSA-N -1 3 363.483 3.221 20 0 FGADHM CCC[C@H](CC1CCCC1)C(=O)Nc1ccc(C[C@@H]2NC(=O)[N-]C2=O)cc1 ZINC000091754911 494666906 /nfs/dbraw/zinc/66/69/06/494666906.db2.gz BOXGYCWFFRHUQF-AEFFLSMTSA-N -1 3 371.481 3.372 20 0 FGADHM CCOC(=O)c1ccc(NC(=O)c2cc(F)c(F)c(F)c2F)c([O-])c1 ZINC000092551939 494667304 /nfs/dbraw/zinc/66/73/04/494667304.db2.gz NTBHCEKWIOUIMM-UHFFFAOYSA-N -1 3 357.259 3.378 20 0 FGADHM C[C@@H]1CCc2sc(C(=O)Nc3ccccc3[N-]S(C)(=O)=O)cc2C1 ZINC000024889835 494677172 /nfs/dbraw/zinc/67/71/72/494677172.db2.gz YGRVVNKXQYLGBN-LLVKDONJSA-N -1 3 364.492 3.497 20 0 FGADHM COc1ccc(C(=O)N(Cc2ccccc2)CC2(O)CCCC2)c([O-])c1 ZINC000092604130 494684286 /nfs/dbraw/zinc/68/42/86/494684286.db2.gz HSLVTBPKHVBBRW-UHFFFAOYSA-N -1 3 355.434 3.348 20 0 FGADHM O=c1[n-]c(CN2CCC([C@@H](O)c3ccc(F)cc3)CC2)nc2ccsc21 ZINC000108387808 494694375 /nfs/dbraw/zinc/69/43/75/494694375.db2.gz YHQJVQYSVGOCNN-KRWDZBQOSA-N -1 3 373.453 3.069 20 0 FGADHM C[C@@H]1CN(C(=O)NCc2ccc([O-])c(Br)c2)C[C@H](C)S1 ZINC000126281542 494695398 /nfs/dbraw/zinc/69/53/98/494695398.db2.gz VXZGNZUWDRMZET-AOOOYVTPSA-N -1 3 359.289 3.190 20 0 FGADHM O=C(NCCc1ccc(=O)[nH]c1)c1cc(OCc2ccccc2)ccc1[O-] ZINC000580340583 505736605 /nfs/dbraw/zinc/73/66/05/505736605.db2.gz QFTDCJUTRHAJON-UHFFFAOYSA-N -1 3 364.401 3.044 20 0 FGADHM CCCN(CC(=O)Nc1ccccc1C)C(=O)c1cc(OC)ccc1[O-] ZINC000126327353 494711375 /nfs/dbraw/zinc/71/13/75/494711375.db2.gz NPPFGCGFZMGKGJ-UHFFFAOYSA-N -1 3 356.422 3.200 20 0 FGADHM Cc1c([O-])ccc2c(CNc3cnn(CC(F)(F)F)c3)cc(=O)oc12 ZINC000126359406 494723508 /nfs/dbraw/zinc/72/35/08/494723508.db2.gz KFAJHTVYMDFEAU-UHFFFAOYSA-N -1 3 353.300 3.178 20 0 FGADHM CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)c2ccc3n[n-]nc3c2)c1 ZINC000116203386 494729786 /nfs/dbraw/zinc/72/97/86/494729786.db2.gz QWWXEXLDORIPON-RUZDIDTESA-N -1 3 356.451 3.257 20 0 FGADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)N1CCC[C@H](C(C)(C)C)CC1 ZINC000116221739 494737303 /nfs/dbraw/zinc/73/73/03/494737303.db2.gz CMEWTHNAJXIRMP-AWEZNQCLSA-N -1 3 370.497 3.427 20 0 FGADHM CC[C@H]1CN(C(=O)CNC(=O)c2ccc([O-])cc2)CC[C@H]1c1ccccc1 ZINC000080656616 494756694 /nfs/dbraw/zinc/75/66/94/494756694.db2.gz MATGWESTQNAJMY-OXJNMPFZSA-N -1 3 366.461 3.164 20 0 FGADHM CCOCCCNC(=O)c1cccc(NC(=O)c2cccc(C)c2[O-])c1 ZINC000126515893 494776038 /nfs/dbraw/zinc/77/60/38/494776038.db2.gz MBJXJUOTMNHGOK-UHFFFAOYSA-N -1 3 356.422 3.109 20 0 FGADHM C[N-]S(=O)(=O)c1cc(NC(=O)C[C@@H](C)c2ccccc2F)ccc1F ZINC000577502325 505741173 /nfs/dbraw/zinc/74/11/73/505741173.db2.gz FZFHBWGIMWIOFK-LLVKDONJSA-N -1 3 368.405 3.005 20 0 FGADHM CCOc1ccc([C@H](C)NC(=O)c2c[n-]c3ccccc3c2=O)cc1OC ZINC000025867716 494785780 /nfs/dbraw/zinc/78/57/80/494785780.db2.gz HSXPWVFTSQEAAP-ZDUSSCGKSA-N -1 3 366.417 3.426 20 0 FGADHM COc1cccc(OC)c1OC1CCN(Cc2nc(C)ccc2[O-])CC1 ZINC000092103522 494791460 /nfs/dbraw/zinc/79/14/60/494791460.db2.gz JUAYYSQMNAWCRI-UHFFFAOYSA-N -1 3 358.438 3.156 20 0 FGADHM Cc1cnn(-c2ccc(C)cc2NCc2nc(C(F)(F)F)cc(=O)[n-]2)c1 ZINC000092216289 494810837 /nfs/dbraw/zinc/81/08/37/494810837.db2.gz SNMVZGYYGPGXLF-UHFFFAOYSA-N -1 3 363.343 3.203 20 0 FGADHM O=c1cc(C(F)(F)F)nc(CNc2c(F)cccc2N2CCCC2)[n-]1 ZINC000092215837 494811561 /nfs/dbraw/zinc/81/15/61/494811561.db2.gz OKPPLYREGIPMGJ-UHFFFAOYSA-N -1 3 356.323 3.140 20 0 FGADHM Cc1nc(C)c(CCC(=O)N[C@@H](C)c2ccc(C(F)(F)F)cc2)c(=O)[n-]1 ZINC000075677632 494812988 /nfs/dbraw/zinc/81/29/88/494812988.db2.gz REQJSUKJLCTJMR-JTQLQIEISA-N -1 3 367.371 3.216 20 0 FGADHM Cc1c(C(=O)Nc2cccc(-c3nnn[n-]3)c2)cccc1-c1ccccn1 ZINC000121713884 494843672 /nfs/dbraw/zinc/84/36/72/494843672.db2.gz YEPLPDADLGHAQV-UHFFFAOYSA-N -1 3 356.389 3.489 20 0 FGADHM Cc1c(C(=O)Nc2cccc(-c3nn[n-]n3)c2)cccc1-c1ccccn1 ZINC000121713884 494843673 /nfs/dbraw/zinc/84/36/73/494843673.db2.gz YEPLPDADLGHAQV-UHFFFAOYSA-N -1 3 356.389 3.489 20 0 FGADHM Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2ccccc2[O-])c(C)c1 ZINC000109213058 494847027 /nfs/dbraw/zinc/84/70/27/494847027.db2.gz GTQGKAKLBSZBIT-MRXNPFEDSA-N -1 3 356.447 3.163 20 0 FGADHM Cc1cc([N-]C(=O)[C@@H](C)Nc2ccc(NC(=O)c3ccco3)cc2)on1 ZINC000026988915 494847885 /nfs/dbraw/zinc/84/78/85/494847885.db2.gz VFKVAUOPNCTPFR-GFCCVEGCSA-N -1 3 354.366 3.267 20 0 FGADHM CCSc1cccnc1C(=O)[N-]c1nnc(C2CCOCC2)s1 ZINC000571494165 505745907 /nfs/dbraw/zinc/74/59/07/505745907.db2.gz LLJHAMSVCLKESJ-UHFFFAOYSA-N -1 3 350.469 3.191 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)Nc2ccccc2N2CCCC2)c([O-])c1 ZINC000116773790 494851450 /nfs/dbraw/zinc/85/14/50/494851450.db2.gz VUPDZVOKODMNDV-UHFFFAOYSA-N -1 3 367.449 3.059 20 0 FGADHM Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)CCc2c(C)nc(C)[n-]c2=O)C1 ZINC000121789130 494860731 /nfs/dbraw/zinc/86/07/31/494860731.db2.gz FPVSJGKOKFOUHX-YOEHRIQHSA-N -1 3 353.466 3.032 20 0 FGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)CCc1ccc(OC)c(F)c1 ZINC000093313922 494866279 /nfs/dbraw/zinc/86/62/79/494866279.db2.gz VWVFRGNTQOLDDC-UHFFFAOYSA-N -1 3 364.373 3.133 20 0 FGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)C[C@H]1OCCc2ccccc21 ZINC000093315271 494867262 /nfs/dbraw/zinc/86/72/62/494867262.db2.gz YJLXXVHSISJQNB-CQSZACIVSA-N -1 3 358.394 3.056 20 0 FGADHM CSc1nnc(CCCNC(=O)c2cccc(C)c2[O-])n1C1CCCC1 ZINC000121831947 494869668 /nfs/dbraw/zinc/86/96/68/494869668.db2.gz FFIBAHNJARSVFA-UHFFFAOYSA-N -1 3 374.510 3.492 20 0 FGADHM Cc1cc(Cl)cc(NC(=O)CCn2cnc3sccc3c2=O)c1[O-] ZINC000116979002 494878377 /nfs/dbraw/zinc/87/83/77/494878377.db2.gz JLHGHVYZGPGTBV-UHFFFAOYSA-N -1 3 363.826 3.154 20 0 FGADHM Cc1cc(Cl)cc(NC(=O)CN2C(=O)[C@H](C)Oc3ccccc32)c1[O-] ZINC000116978692 494878731 /nfs/dbraw/zinc/87/87/31/494878731.db2.gz DKSWRJMIGTYNQQ-NSHDSACASA-N -1 3 360.797 3.107 20 0 FGADHM COc1ccccc1CN(C(=O)c1cc(NC(C)=O)ccc1[O-])C1CC1 ZINC000121900642 494885116 /nfs/dbraw/zinc/88/51/16/494885116.db2.gz OLFNSXSNGQQERK-UHFFFAOYSA-N -1 3 354.406 3.164 20 0 FGADHM O=C(CSc1n[n-]c(-c2ccccn2)n1)N1CCC[C@@H]1c1cccs1 ZINC000117114196 494892186 /nfs/dbraw/zinc/89/21/86/494892186.db2.gz LAAODBGWPDUFPX-CYBMUJFWSA-N -1 3 371.491 3.384 20 0 FGADHM COc1ccc(C)cc1NC(=O)[C@@H](C)Sc1n[n-]c(-c2ccccn2)n1 ZINC000117115215 494892915 /nfs/dbraw/zinc/89/29/15/494892915.db2.gz OKRMITVSAHPCQP-GFCCVEGCSA-N -1 3 369.450 3.303 20 0 FGADHM O=C(CSc1n[n-]c(-c2ccccn2)n1)N[C@H](c1ccccc1)C1CC1 ZINC000117115075 494893607 /nfs/dbraw/zinc/89/36/07/494893607.db2.gz WSPSIUOWCZXHJQ-QGZVFWFLSA-N -1 3 365.462 3.226 20 0 FGADHM CC(C)C1CCC(N(C)C(=O)c2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)CC1 ZINC000571501997 505748203 /nfs/dbraw/zinc/74/82/03/505748203.db2.gz UYFMKQLFTBSIJC-FXMMLYEBSA-N -1 3 371.481 3.028 20 0 FGADHM CC(=O)c1cccc(O[C@@H](C)C(=O)Nc2n[n-]c(-c3ccccc3F)n2)c1 ZINC000109625501 494897791 /nfs/dbraw/zinc/89/77/91/494897791.db2.gz OXQQBGQLQLSXMB-LBPRGKRZSA-N -1 3 368.368 3.219 20 0 FGADHM CC(C)[C@H](O)CC[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000122001089 494907096 /nfs/dbraw/zinc/90/70/96/494907096.db2.gz WGNXBBVAUROMFX-LLVKDONJSA-N -1 3 359.797 3.044 20 0 FGADHM O=c1[n-]c(CN2CCC(C(F)(F)F)(C(F)(F)F)C2)nc2ccsc21 ZINC000117350951 494912922 /nfs/dbraw/zinc/91/29/22/494912922.db2.gz KBKVLQHELBKZME-UHFFFAOYSA-N -1 3 371.306 3.301 20 0 FGADHM Cc1cnn(Cc2cc(C(=O)[N-]c3nc(-c4ccco4)cs3)no2)c1 ZINC000132718522 494914755 /nfs/dbraw/zinc/91/47/55/494914755.db2.gz JSMPAKHKRNVKJB-UHFFFAOYSA-N -1 3 355.379 3.197 20 0 FGADHM CN(Cc1nc(=O)c2c([n-]1)sc1c2CCSC1)C(=O)c1ccccc1 ZINC000117428373 494918726 /nfs/dbraw/zinc/91/87/26/494918726.db2.gz VSDAHGKSSDZAIC-UHFFFAOYSA-N -1 3 371.487 3.046 20 0 FGADHM Cc1cc(F)ccc1S(=O)(=O)NCc1ccc([O-])c(Br)c1 ZINC000127269819 494919944 /nfs/dbraw/zinc/91/99/44/494919944.db2.gz OUIKNIGZAFQUMY-UHFFFAOYSA-N -1 3 374.231 3.081 20 0 FGADHM CCc1noc(C)c1[N-]C(=O)c1cn(-c2cccc(C(F)(F)F)c2)nn1 ZINC000132761945 494920354 /nfs/dbraw/zinc/92/03/54/494920354.db2.gz NIVOZWLWRANUGW-UHFFFAOYSA-N -1 3 365.315 3.397 20 0 FGADHM CCCOc1cn(-c2ccccc2)nc1C(=O)NCc1ccc([O-])c(F)c1 ZINC000132813445 494928100 /nfs/dbraw/zinc/92/81/00/494928100.db2.gz NOYZMAMBLDBEBV-UHFFFAOYSA-N -1 3 369.396 3.436 20 0 FGADHM COc1ccc(OCCS(=O)(=O)[N-]c2cccc(-c3ncco3)c2)cc1 ZINC000132821963 494929336 /nfs/dbraw/zinc/92/93/36/494929336.db2.gz MFUQTRJBXXLUDO-UHFFFAOYSA-N -1 3 374.418 3.171 20 0 FGADHM CC[C@]1(c2ccc(NC(=O)c3ccc(C)cc3[O-])cc2)CCC(=O)NC1=O ZINC000094038002 494942788 /nfs/dbraw/zinc/94/27/88/494942788.db2.gz MUEVROAHDJYSLU-OAQYLSRUSA-N -1 3 366.417 3.037 20 0 FGADHM CC[C@H](Cc1ccccc1)N(CC)C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000127434177 494943895 /nfs/dbraw/zinc/94/38/95/494943895.db2.gz WOOYZUMWRSFVDN-MRXNPFEDSA-N -1 3 365.433 3.445 20 0 FGADHM CCCN(C(=O)c1ccccc1NC(=O)c1ccc2n[n-]nc2c1)C(C)C ZINC000127459173 494947588 /nfs/dbraw/zinc/94/75/88/494947588.db2.gz UBZWZSJFHVDWRD-UHFFFAOYSA-N -1 3 365.437 3.471 20 0 FGADHM COc1ccc(CCNC(=O)c2ccc(C)cc2[O-])cc1OC(F)F ZINC000110115796 494950232 /nfs/dbraw/zinc/95/02/32/494950232.db2.gz JDUXUHKBFCIOCA-UHFFFAOYSA-N -1 3 351.349 3.283 20 0 FGADHM Cc1cc(Cl)ccc1OCC(=O)[N-]c1nncn1Cc1ccccc1 ZINC000117736367 494951298 /nfs/dbraw/zinc/95/12/98/494951298.db2.gz WGTJFMDMPBFFSP-UHFFFAOYSA-N -1 3 356.813 3.306 20 0 FGADHM CN(C)S(=O)(=O)c1ccsc1C(=O)[N-]c1cccc(Cl)c1F ZINC000110171690 494954370 /nfs/dbraw/zinc/95/43/70/494954370.db2.gz LNAWDCRMKUBBIB-UHFFFAOYSA-N -1 3 362.835 3.043 20 0 FGADHM CC(C)c1nc2n(n1)CCC[C@H]2[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000133037694 494958916 /nfs/dbraw/zinc/95/89/16/494958916.db2.gz YHJJZFSJYNEEAE-GFCCVEGCSA-N -1 3 372.853 3.007 20 0 FGADHM C[C@@H](C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)c1ccsc1 ZINC000133083837 494966485 /nfs/dbraw/zinc/96/64/85/494966485.db2.gz QRWWXEMLEQKKNG-SNVBAGLBSA-N -1 3 368.455 3.070 20 0 FGADHM Cc1ccc(C(=O)Nc2cccc(C(=O)N3CCSCC3)c2)c([O-])c1 ZINC000133184719 494981853 /nfs/dbraw/zinc/98/18/53/494981853.db2.gz OADJOKJVPBCINE-UHFFFAOYSA-N -1 3 356.447 3.142 20 0 FGADHM Cc1ccc(C(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)cc1 ZINC000133244007 494989146 /nfs/dbraw/zinc/98/91/46/494989146.db2.gz XBYLKGFEBRCWCJ-UHFFFAOYSA-N -1 3 364.442 3.463 20 0 FGADHM COc1ccccc1-c1nc(NC(=O)Cc2ccccc2OC(F)F)n[n-]1 ZINC000118318775 494993926 /nfs/dbraw/zinc/99/39/26/494993926.db2.gz BRVUEWYZZBAEMI-UHFFFAOYSA-N -1 3 374.347 3.263 20 0 FGADHM NC(=O)CC[C@@H]1CCCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000110616427 494994927 /nfs/dbraw/zinc/99/49/27/494994927.db2.gz WTTMFWPZNZFTAZ-KRWDZBQOSA-N -1 3 366.461 3.101 20 0 FGADHM NC(=O)CC[C@H]1CCCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000110616424 494995122 /nfs/dbraw/zinc/99/51/22/494995122.db2.gz WTTMFWPZNZFTAZ-QGZVFWFLSA-N -1 3 366.461 3.101 20 0 FGADHM CCC1CCC(N(CC2=Nc3ccccc3S(=O)(=O)[N-]2)C2CC2)CC1 ZINC000110631799 494996831 /nfs/dbraw/zinc/99/68/31/494996831.db2.gz AXKRSLSKAIDTOS-UHFFFAOYSA-N -1 3 361.511 3.442 20 0 FGADHM O=C(Nc1cccc2c1OCC(=O)N2)c1c[n-]nc1-c1ccc(Cl)cc1 ZINC000568702326 505755986 /nfs/dbraw/zinc/75/59/86/505755986.db2.gz DRCMMVLFRDGCML-UHFFFAOYSA-N -1 3 368.780 3.313 20 0 FGADHM Cc1ccc(-c2nc(CC(=O)Nc3cccc(-c4nnn[n-]4)c3)cs2)o1 ZINC000122702754 495018915 /nfs/dbraw/zinc/01/89/15/495018915.db2.gz GPHDICGUMPCJGV-UHFFFAOYSA-N -1 3 366.406 3.073 20 0 FGADHM Cc1ccc(-c2nc(CC(=O)Nc3cccc(-c4nn[n-]n4)c3)cs2)o1 ZINC000122702754 495018919 /nfs/dbraw/zinc/01/89/19/495018919.db2.gz GPHDICGUMPCJGV-UHFFFAOYSA-N -1 3 366.406 3.073 20 0 FGADHM O=S(=O)(C[C@H]1CCCO1)[N-]c1ccc(Cl)cc1Br ZINC000128011355 495030699 /nfs/dbraw/zinc/03/06/99/495030699.db2.gz 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CCOc1ccc(C[N-]S(=O)(=O)c2c(F)cccc2Cl)cc1OC ZINC000131230577 495509098 /nfs/dbraw/zinc/50/90/98/495509098.db2.gz CAAHCKVRSVZDNE-UHFFFAOYSA-N -1 3 373.833 3.365 20 0 FGADHM CCCCN(C)c1ccc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000571667713 505786649 /nfs/dbraw/zinc/78/66/49/505786649.db2.gz APKXJGUWGHFPKB-UHFFFAOYSA-N -1 3 364.453 3.033 20 0 FGADHM CCCCN(C)c1ccc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000571667713 505786651 /nfs/dbraw/zinc/78/66/51/505786651.db2.gz APKXJGUWGHFPKB-UHFFFAOYSA-N -1 3 364.453 3.033 20 0 FGADHM O=c1[n-]c(CN2CCC(Oc3ccc(F)cc3)CC2)nc2ccsc21 ZINC000115557812 495516407 /nfs/dbraw/zinc/51/64/07/495516407.db2.gz RRYACOYFWIBBBA-UHFFFAOYSA-N -1 3 359.426 3.167 20 0 FGADHM CC(C)N(Cc1nc(=O)c2cc(-c3ccccc3)sc2[n-]1)C[C@@H](C)O ZINC000107042122 495520899 /nfs/dbraw/zinc/52/08/99/495520899.db2.gz GHGOAERJXWSSDU-CYBMUJFWSA-N -1 3 357.479 3.243 20 0 FGADHM O=S(=O)([N-]CCc1ccncc1)c1cc(C(F)(F)F)ccc1Cl ZINC000107220647 495523920 /nfs/dbraw/zinc/52/39/20/495523920.db2.gz 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ZINC000580569242 505788489 /nfs/dbraw/zinc/78/84/89/505788489.db2.gz GJCPBEORJBDIFG-MRXNPFEDSA-N -1 3 354.328 3.053 20 0 FGADHM CCCC[C@@H](CCC)CNC(=O)c1cccc([C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000158600933 495547710 /nfs/dbraw/zinc/54/77/10/495547710.db2.gz SEYRSKZFSHLZBC-VLIAUNLRSA-N -1 3 359.470 3.078 20 0 FGADHM Cc1cnc([C@H]([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)C2CC2)s1 ZINC000173486952 495553828 /nfs/dbraw/zinc/55/38/28/495553828.db2.gz OHNUQRBGLFJTAY-MGPLVRAMSA-N -1 3 364.492 3.205 20 0 FGADHM CC(C)Cn1ccnc1C[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000182416334 495555908 /nfs/dbraw/zinc/55/59/08/495555908.db2.gz QTYFHAMNGNQMPY-UHFFFAOYSA-N -1 3 362.282 3.324 20 0 FGADHM COC(=O)[C@H](C)[C@H](NC(=O)Cc1ccc([O-])cc1Cl)c1ccccc1 ZINC000158674835 495565026 /nfs/dbraw/zinc/56/50/26/495565026.db2.gz GWCXSIRZZFEQAV-XIKOKIGWSA-N -1 3 361.825 3.255 20 0 FGADHM O=S(=O)([N-]C[C@@H]1CCCO[C@@H]1c1ccccc1)c1ccc(F)cc1F ZINC000146315822 495565035 /nfs/dbraw/zinc/56/50/35/495565035.db2.gz ZWKIUCJGFWKMPI-KBXCAEBGSA-N 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/nfs/dbraw/zinc/57/29/01/495572901.db2.gz NGBHCYOYFNBPST-UHFFFAOYSA-N -1 3 357.410 3.394 20 0 FGADHM O=S(=O)([N-][C@@H]1[C@@H]2Cc3ccccc3[C@@H]21)c1ccc(F)cc1C(F)(F)F ZINC000154297990 495572887 /nfs/dbraw/zinc/57/28/87/495572887.db2.gz SPZGJCPEKSAXST-UHOFOFEASA-N -1 3 371.355 3.461 20 0 FGADHM O=c1cc(-c2noc([C@@H]3C[C@@H]3c3ccccc3OC(F)(F)F)n2)nc[n-]1 ZINC000574518662 505791401 /nfs/dbraw/zinc/79/14/01/505791401.db2.gz PZTZLLMRCFILRJ-NXEZZACHSA-N -1 3 364.283 3.402 20 0 FGADHM NC(=O)c1ccc(F)c(NC(=O)c2cc(Cc3ccccc3)ccc2[O-])c1 ZINC000179434514 495590578 /nfs/dbraw/zinc/59/05/78/495590578.db2.gz IHLZLHYHXLGEAE-UHFFFAOYSA-N -1 3 364.376 3.473 20 0 FGADHM [O-]c1cc(F)cc(CNC[C@H](O)COc2ccc(C(F)(F)F)cc2)c1 ZINC000185490145 495596367 /nfs/dbraw/zinc/59/63/67/495596367.db2.gz PSNJADPTNNASOM-HNNXBMFYSA-N -1 3 359.319 3.080 20 0 FGADHM [O-]c1cc(F)cc(CNC[C@@H](O)COc2ccc(C(F)(F)F)cc2)c1 ZINC000185490127 495596553 /nfs/dbraw/zinc/59/65/53/495596553.db2.gz PSNJADPTNNASOM-OAHLLOKOSA-N -1 3 359.319 3.080 20 0 FGADHM CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c(Cl)c1 ZINC000158882164 495607901 /nfs/dbraw/zinc/60/79/01/495607901.db2.gz ISUVDVMOLBGUKU-UHFFFAOYSA-N -1 3 359.234 3.154 20 0 FGADHM CCc1noc2ncc(S(=O)(=O)[N-]c3cc(F)ccc3Cl)cc12 ZINC000185601079 495638601 /nfs/dbraw/zinc/63/86/01/495638601.db2.gz ITEWTRSFBBPPOU-UHFFFAOYSA-N -1 3 355.778 3.379 20 0 FGADHM COc1ccc(-c2noc(CCC(=O)Nc3c(C)cccc3[O-])n2)cc1 ZINC000179558149 495640132 /nfs/dbraw/zinc/64/01/32/495640132.db2.gz MUEMBQNVZYOJKN-UHFFFAOYSA-N -1 3 353.378 3.331 20 0 FGADHM CN(Cc1cccc(Cl)c1Cl)C(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000170899293 495647386 /nfs/dbraw/zinc/64/73/86/495647386.db2.gz QGOWJDODPSEJCR-UHFFFAOYSA-N -1 3 363.200 3.149 20 0 FGADHM COc1cccc([C@H](C)N2CCN(C(=O)c3cc(C)ccc3[O-])CC2)c1 ZINC000170902160 495648044 /nfs/dbraw/zinc/64/80/44/495648044.db2.gz KPYLNDVUMSGJJQ-INIZCTEOSA-N -1 3 354.450 3.228 20 0 FGADHM COc1cc(C)ccc1OCC(=O)Nc1cc(Br)ccc1[O-] ZINC000176439909 495650629 /nfs/dbraw/zinc/65/06/29/495650629.db2.gz QHCDRJHFHOKSCO-UHFFFAOYSA-N -1 3 366.211 3.489 20 0 FGADHM CN(C)c1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000150839052 495651514 /nfs/dbraw/zinc/65/15/14/495651514.db2.gz YIEKQPNVCHRPEA-GFCCVEGCSA-N -1 3 366.405 3.082 20 0 FGADHM Cc1ccc(SCCC(=O)NCCCNC(=O)c2cccc([O-])c2)cc1 ZINC000154590986 495664384 /nfs/dbraw/zinc/66/43/84/495664384.db2.gz CFJWIFBEZFOANI-UHFFFAOYSA-N -1 3 372.490 3.119 20 0 FGADHM COc1cc(C(=O)Nc2ccccc2-n2ccc(C)n2)cc(OC)c1[O-] ZINC000150897238 495672535 /nfs/dbraw/zinc/67/25/35/495672535.db2.gz HBUWECBZQCZCPJ-UHFFFAOYSA-N -1 3 353.378 3.156 20 0 FGADHM CC(C)S(=O)(=O)c1ccccc1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000179640542 495672670 /nfs/dbraw/zinc/67/26/70/495672670.db2.gz ILDNKZXXNVRXLQ-UHFFFAOYSA-N -1 3 353.827 3.480 20 0 FGADHM O=C([N-]c1ncn(C2CCCCC2)n1)c1cc(OCC(F)F)ccn1 ZINC000182721854 495677064 /nfs/dbraw/zinc/67/70/64/495677064.db2.gz MCVGPTDIDADXGH-UHFFFAOYSA-N -1 3 351.357 3.075 20 0 FGADHM O=C(NCC1(c2cccc(Cl)c2)CCOCC1)c1cccc2nn[n-]c21 ZINC000182737849 495682980 /nfs/dbraw/zinc/68/29/80/495682980.db2.gz YGHLYNVCDUKTCC-UHFFFAOYSA-N -1 3 370.840 3.090 20 0 FGADHM O=C(NCC1(c2cccc(Cl)c2)CCOCC1)c1cccc2[n-]nnc21 ZINC000182737849 495682984 /nfs/dbraw/zinc/68/29/84/495682984.db2.gz YGHLYNVCDUKTCC-UHFFFAOYSA-N -1 3 370.840 3.090 20 0 FGADHM O=C(NCC1(c2cccc(Cl)c2)CCOCC1)c1cccc2n[n-]nc21 ZINC000182737849 495682987 /nfs/dbraw/zinc/68/29/87/495682987.db2.gz YGHLYNVCDUKTCC-UHFFFAOYSA-N -1 3 370.840 3.090 20 0 FGADHM Cc1cccc2c(=O)c(C(=O)N3CC[C@H](C(=O)OC(C)(C)C)C3)c[n-]c12 ZINC000185697446 495684675 /nfs/dbraw/zinc/68/46/75/495684675.db2.gz FAKLSPAQPIQJAL-ZDUSSCGKSA-N -1 3 356.422 3.053 20 0 FGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H](OC)c2ccc(F)cc2)c1 ZINC000173805751 495701428 /nfs/dbraw/zinc/70/14/28/495701428.db2.gz MPKYRDKGRHSQDW-HNNXBMFYSA-N -1 3 373.833 3.154 20 0 FGADHM CC(C)Oc1ccc(S(=O)(=O)[N-]c2cc(C(N)=O)ccc2Cl)cc1 ZINC000179726157 495706117 /nfs/dbraw/zinc/70/61/17/495706117.db2.gz RBJRRPVDDXCPEW-UHFFFAOYSA-N -1 3 368.842 3.027 20 0 FGADHM C[C@H](NC(=O)c1cccc2nn[n-]c21)c1noc(-c2ccc(Cl)cc2)n1 ZINC000182796133 495706737 /nfs/dbraw/zinc/70/67/37/495706737.db2.gz HHWBWSYIWSBWMT-VIFPVBQESA-N -1 3 368.784 3.152 20 0 FGADHM C[C@H](NC(=O)c1cccc2[n-]nnc21)c1noc(-c2ccc(Cl)cc2)n1 ZINC000182796133 495706743 /nfs/dbraw/zinc/70/67/43/495706743.db2.gz HHWBWSYIWSBWMT-VIFPVBQESA-N -1 3 368.784 3.152 20 0 FGADHM C[C@H](NC(=O)c1cccc2n[n-]nc21)c1noc(-c2ccc(Cl)cc2)n1 ZINC000182796133 495706749 /nfs/dbraw/zinc/70/67/49/495706749.db2.gz HHWBWSYIWSBWMT-VIFPVBQESA-N -1 3 368.784 3.152 20 0 FGADHM O=S(=O)(Cc1noc2ccccc21)[N-][C@@H](c1ccccc1)[C@H]1CCCO1 ZINC000185751025 495710028 /nfs/dbraw/zinc/71/00/28/495710028.db2.gz BSZMCJKQLRSJKG-MOPGFXCFSA-N -1 3 372.446 3.168 20 0 FGADHM Cc1nn2c(nnc2S[C@H](C)C(=O)c2ccc(C(C)C)cc2)[n-]c1=O ZINC000151018872 495713479 /nfs/dbraw/zinc/71/34/79/495713479.db2.gz ODEHYCADFPKUSX-LLVKDONJSA-N -1 3 357.439 3.020 20 0 FGADHM CO[C@@H](C)c1cccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])c1 ZINC000171130483 495736616 /nfs/dbraw/zinc/73/66/16/495736616.db2.gz KFFAYABDJMWOFL-KSSFIOAISA-N -1 3 368.433 3.343 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N[C@@H](C)CCc3cccn3C)c[n-]c12 ZINC000154834503 495742896 /nfs/dbraw/zinc/74/28/96/495742896.db2.gz UCDHDFYTFZMZJZ-ZDUSSCGKSA-N -1 3 355.413 3.065 20 0 FGADHM Cc1cccc(F)c1S(=O)(=O)[N-]Cc1ncc(-c2ccccc2)cn1 ZINC000185874914 495759837 /nfs/dbraw/zinc/75/98/37/495759837.db2.gz ZOWVZKRTKWSRER-UHFFFAOYSA-N -1 3 357.410 3.070 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-][C@H]1CCSc2c(F)cccc21 ZINC000154917566 495772375 /nfs/dbraw/zinc/77/23/75/495772375.db2.gz HANPODPRKHXJDR-NSHDSACASA-N -1 3 359.469 3.411 20 0 FGADHM O=C(Cc1ccc([O-])cc1Cl)N(Cc1ccccc1)[C@H](CO)C1CC1 ZINC000182980356 495784049 /nfs/dbraw/zinc/78/40/49/495784049.db2.gz NNUZKSXAPQUMME-LJQANCHMSA-N -1 3 359.853 3.388 20 0 FGADHM Cc1nn(C)c(C)c1CCNC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000171249648 495788832 /nfs/dbraw/zinc/78/88/32/495788832.db2.gz COBKSZTVLHGLMT-UHFFFAOYSA-N -1 3 363.461 3.306 20 0 FGADHM CC1(NC(=O)Cc2csc(NC(=O)c3cccc([O-])c3)n2)CCCCC1 ZINC000179946676 495795273 /nfs/dbraw/zinc/79/52/73/495795273.db2.gz OYWHEHFZGLAJOO-UHFFFAOYSA-N -1 3 373.478 3.483 20 0 FGADHM C[C@H]([N-]S(=O)(=O)CCC(C)(C)C)c1nc(-c2cccc(F)c2)no1 ZINC000174045217 495802076 /nfs/dbraw/zinc/80/20/76/495802076.db2.gz VECUCZSOCHCZCT-NSHDSACASA-N -1 3 355.435 3.292 20 0 FGADHM C[C@H]([N-]S(=O)(=O)Cc1ccc(F)cc1)c1nc(C2CCCCC2)no1 ZINC000174066736 495809020 /nfs/dbraw/zinc/80/90/20/495809020.db2.gz QPRFNIOVFFMDGE-LBPRGKRZSA-N -1 3 367.446 3.437 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)NCCc3ccc(F)cc3F)c[n-]c12 ZINC000151349556 495811498 /nfs/dbraw/zinc/81/14/98/495811498.db2.gz YGKOVFCKZMSFLX-UHFFFAOYSA-N -1 3 360.335 3.226 20 0 FGADHM Cc1nc(C)c(S(=O)(=O)[N-][C@@H](c2nccs2)c2ccccc2)s1 ZINC000176900636 495833825 /nfs/dbraw/zinc/83/38/25/495833825.db2.gz LHWKKJNBXWDXEU-CYBMUJFWSA-N -1 3 365.505 3.284 20 0 FGADHM O=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)c1cccc2nn[n-]c21 ZINC000180087131 495851653 /nfs/dbraw/zinc/85/16/53/495851653.db2.gz ATJKDHAGVFQYMN-UHFFFAOYSA-N -1 3 352.785 3.108 20 0 FGADHM O=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)c1cccc2[n-]nnc21 ZINC000180087131 495851658 /nfs/dbraw/zinc/85/16/58/495851658.db2.gz ATJKDHAGVFQYMN-UHFFFAOYSA-N -1 3 352.785 3.108 20 0 FGADHM O=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)c1cccc2n[n-]nc21 ZINC000180087131 495851665 /nfs/dbraw/zinc/85/16/65/495851665.db2.gz ATJKDHAGVFQYMN-UHFFFAOYSA-N -1 3 352.785 3.108 20 0 FGADHM C[C@@H](CCOc1ccccc1)C(=O)N(C)Cc1nc2ccsc2c(=O)[n-]1 ZINC000174211598 495865228 /nfs/dbraw/zinc/86/52/28/495865228.db2.gz VISLYVJMABQHGU-ZDUSSCGKSA-N -1 3 371.462 3.048 20 0 FGADHM C[C@@H](OCc1ccccc1)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000151608917 495893416 /nfs/dbraw/zinc/89/34/16/495893416.db2.gz QTHPFXGYNXGKFE-GFCCVEGCSA-N -1 3 364.239 3.376 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)Nc2c(C)cc(N(C)C)cc2C)c([O-])c1 ZINC000180186831 495897498 /nfs/dbraw/zinc/89/74/98/495897498.db2.gz TUFNEVRYXJJXHF-UHFFFAOYSA-N -1 3 369.465 3.142 20 0 FGADHM O=C(NCc1ccc([O-])c(Br)c1)C(=O)c1ccc2c(c1)CCC2 ZINC000151644431 495904227 /nfs/dbraw/zinc/90/42/27/495904227.db2.gz FSKJONMFIZHOFH-UHFFFAOYSA-N -1 3 374.234 3.143 20 0 FGADHM CCOC(=O)c1cc(NC(=O)c2cccc(OCc3cccs3)c2)n[n-]1 ZINC000183278402 495913305 /nfs/dbraw/zinc/91/33/05/495913305.db2.gz KUFAXKKVAQNAEN-UHFFFAOYSA-N -1 3 371.418 3.479 20 0 FGADHM CCOC(=O)c1cc(NC(=O)c2cccc(OCc3cccs3)c2)[n-]n1 ZINC000183278402 495913309 /nfs/dbraw/zinc/91/33/09/495913309.db2.gz KUFAXKKVAQNAEN-UHFFFAOYSA-N -1 3 371.418 3.479 20 0 FGADHM COc1cc(C(=O)[N-]c2cc(Cl)ccc2OC[C@@H]2CCCO2)on1 ZINC000155328333 495921795 /nfs/dbraw/zinc/92/17/95/495921795.db2.gz DFPIZHYANBEONS-NSHDSACASA-N -1 3 352.774 3.147 20 0 FGADHM CC(C)c1cc(C(=O)N[C@H](C)C2(S(C)(=O)=O)CC2)c([O-])c(C(C)C)c1 ZINC000571771546 505812020 /nfs/dbraw/zinc/81/20/20/505812020.db2.gz UQIAUZSXZNPLIV-CYBMUJFWSA-N -1 3 367.511 3.335 20 0 FGADHM Cc1ccccc1C1(c2nc(-c3ccc4n[n-]nc4c3)no2)CCOCC1 ZINC000580686113 505813710 /nfs/dbraw/zinc/81/37/10/505813710.db2.gz SOMFGQVJUTWJFP-UHFFFAOYSA-N -1 3 361.405 3.413 20 0 FGADHM C[C@@H]1CCN(C(=O)c2cn(Cc3cccs3)nn2)c2c([O-])cccc21 ZINC000186331091 495952111 /nfs/dbraw/zinc/95/21/11/495952111.db2.gz SWCMGBBVOQMWDO-GFCCVEGCSA-N -1 3 354.435 3.248 20 0 FGADHM CC(C)N(C(=O)Cc1csc(NC(=O)c2cccc([O-])c2)n1)C1CC1 ZINC000180339268 495957785 /nfs/dbraw/zinc/95/77/85/495957785.db2.gz VIPRMPKEQPYMET-UHFFFAOYSA-N -1 3 359.451 3.043 20 0 FGADHM O=C(NC1(c2ccc(Br)cc2)CC1)c1cccc2[n-]nnc21 ZINC000183488986 496005564 /nfs/dbraw/zinc/00/55/64/496005564.db2.gz FPUYMJTXLNJEAB-UHFFFAOYSA-N -1 3 357.211 3.140 20 0 FGADHM O=C(NC1(c2ccc(Br)cc2)CC1)c1cccc2nn[n-]c21 ZINC000183488986 496005559 /nfs/dbraw/zinc/00/55/59/496005559.db2.gz FPUYMJTXLNJEAB-UHFFFAOYSA-N -1 3 357.211 3.140 20 0 FGADHM O=C(NC1(c2ccc(Br)cc2)CC1)c1cccc2n[n-]nc21 ZINC000183488986 496005568 /nfs/dbraw/zinc/00/55/68/496005568.db2.gz FPUYMJTXLNJEAB-UHFFFAOYSA-N -1 3 357.211 3.140 20 0 FGADHM CCOC(=O)c1nnc(-c2cccc(CNCc3sc(C)nc3C)c2)[n-]1 ZINC000571806268 505817941 /nfs/dbraw/zinc/81/79/41/505817941.db2.gz NPRMQROMXBVICF-UHFFFAOYSA-N -1 3 371.466 3.012 20 0 FGADHM O=C(c1ccc(NC([O-])=NOCc2ccc(F)cc2)cc1)N1CCCC1 ZINC000183510503 496015751 /nfs/dbraw/zinc/01/57/51/496015751.db2.gz YRYJRGJTYPGXPU-UHFFFAOYSA-N -1 3 357.385 3.315 20 0 FGADHM O=C([N-]OCc1ccc(F)cc1)Nc1ccc(C(=O)N2CCCC2)cc1 ZINC000183510503 496015754 /nfs/dbraw/zinc/01/57/54/496015754.db2.gz YRYJRGJTYPGXPU-UHFFFAOYSA-N -1 3 357.385 3.315 20 0 FGADHM C[C@@H]1C[C@@H]1CC(=O)Nc1n[n-]c(-c2ccc(Br)cc2F)n1 ZINC000577923052 505818298 /nfs/dbraw/zinc/81/82/98/505818298.db2.gz SIUQQMXYINVLNK-HTQZYQBOSA-N -1 3 353.195 3.358 20 0 FGADHM CC(C)CNC(=O)N1CCC[C@H](CC(=O)N2CCCc3cccc([O-])c32)C1 ZINC000155655740 496026270 /nfs/dbraw/zinc/02/62/70/496026270.db2.gz YPDWOTBXHQAMOM-MRXNPFEDSA-N -1 3 373.497 3.139 20 0 FGADHM C[C@H](NC(=O)c1ccc2n[n-]nc2c1)c1ccc(Br)cc1F ZINC000577924761 505818840 /nfs/dbraw/zinc/81/88/40/505818840.db2.gz IYCDYQNLUQHORM-QMMMGPOBSA-N -1 3 363.190 3.351 20 0 FGADHM O=C(C[C@@H]1Sc2ccccc2NC1=O)N1CCCc2cccc([O-])c21 ZINC000155681681 496034840 /nfs/dbraw/zinc/03/48/40/496034840.db2.gz PLYWCNICAQNWCE-INIZCTEOSA-N -1 3 354.431 3.175 20 0 FGADHM Cc1cccc(C(=O)N2CC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)c1[O-] ZINC000155692923 496038260 /nfs/dbraw/zinc/03/82/60/496038260.db2.gz ONWIPZASSVBEQB-HXUWFJFHSA-N -1 3 360.454 3.174 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CC[C@@H](C)[C@H](C)C2)c1 ZINC000183613183 496049370 /nfs/dbraw/zinc/04/93/70/496049370.db2.gz DXNCGSQSGHNRMY-VXGBXAGGSA-N -1 3 357.410 3.059 20 0 FGADHM C[C@@H]1CC[C@H](C)N(C(=O)Cc2csc(NC(=O)c3cccc([O-])c3)n2)C1 ZINC000177420863 496056007 /nfs/dbraw/zinc/05/60/07/496056007.db2.gz FPRJHBJNFKOSSZ-OLZOCXBDSA-N -1 3 373.478 3.291 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N[C@H]3CCCC[C@H]3n3cccn3)c[n-]c12 ZINC000155755110 496057258 /nfs/dbraw/zinc/05/72/58/496057258.db2.gz YXTVPVCFGGQENK-DLBZAZTESA-N -1 3 368.412 3.086 20 0 FGADHM CC(C)c1ccc(N(C)C(=O)c2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)cc1 ZINC000155765918 496060609 /nfs/dbraw/zinc/06/06/09/496060609.db2.gz LSCDXOQCMOTWKO-OAQYLSRUSA-N -1 3 365.433 3.141 20 0 FGADHM CCc1[nH]nc(NC(=O)Cc2ccc([O-])cc2Cl)c1Br ZINC000155766259 496060888 /nfs/dbraw/zinc/06/08/88/496060888.db2.gz GXRZKTSFGWYFQR-UHFFFAOYSA-N -1 3 358.623 3.275 20 0 FGADHM COc1cccc(OC)c1S(=O)(=O)[N-]c1c(F)c(F)cc(F)c1F ZINC000186599848 496065501 /nfs/dbraw/zinc/06/55/01/496065501.db2.gz IEBRRXBREQDGOY-UHFFFAOYSA-N -1 3 365.304 3.061 20 0 FGADHM Cc1nn(C(C)(C)C)cc1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000183656960 496065697 /nfs/dbraw/zinc/06/56/97/496065697.db2.gz NHCLXPQUVULQSD-UHFFFAOYSA-N -1 3 366.259 3.345 20 0 FGADHM Cc1ccc([C@@H]2COCCN2C(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)o1 ZINC000152161831 496066257 /nfs/dbraw/zinc/06/62/57/496066257.db2.gz WBNQVNNBWGLFGD-INIZCTEOSA-N -1 3 370.380 3.091 20 0 FGADHM CC(C)c1noc(CCC(=O)[N-]OCc2ccc(C(F)(F)F)cc2)n1 ZINC000152168112 496067531 /nfs/dbraw/zinc/06/75/31/496067531.db2.gz ANTWHIGJRFIVAT-UHFFFAOYSA-N -1 3 357.332 3.392 20 0 FGADHM CCOC(=O)c1ccsc1[N-]C(=O)C(=O)N(C)[C@@H]1CCc2ccccc21 ZINC000174714278 496074431 /nfs/dbraw/zinc/07/44/31/496074431.db2.gz PMWUSPOTQXAZBV-OAHLLOKOSA-N -1 3 372.446 3.009 20 0 FGADHM CCOC(=O)c1ccsc1[N-]C(=O)C(=O)N(C)[C@H](C)c1cccs1 ZINC000174735528 496082285 /nfs/dbraw/zinc/08/22/85/496082285.db2.gz IAAUTJVLQRLAEW-SNVBAGLBSA-N -1 3 366.464 3.144 20 0 FGADHM Cc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)co1 ZINC000186671357 496101681 /nfs/dbraw/zinc/10/16/81/496101681.db2.gz LCOBMHPVHYFHPA-UHFFFAOYSA-N -1 3 362.329 3.231 20 0 FGADHM CN(C(=O)c1ccccc1[O-])[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000186678541 496103752 /nfs/dbraw/zinc/10/37/52/496103752.db2.gz YOODTBKNOYPTAV-JKSUJKDBSA-N -1 3 352.217 3.429 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-]C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000155927562 496109929 /nfs/dbraw/zinc/10/99/29/496109929.db2.gz QSCGKKJPEWPRAT-HOCLYGCPSA-N -1 3 367.492 3.203 20 0 FGADHM CC(C)c1ccccc1N(C)C(=O)c1cccc([C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000568983899 505823876 /nfs/dbraw/zinc/82/38/76/505823876.db2.gz GUXVWOUXEPSYEU-NRFANRHFSA-N -1 3 365.433 3.141 20 0 FGADHM CN1CC[C@@H](CNC(=O)c2ncccc2[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000155991541 496127697 /nfs/dbraw/zinc/12/76/97/496127697.db2.gz UJMDEFDITIMLPT-SJCJKPOMSA-N -1 3 363.820 3.003 20 0 FGADHM O=C(c1ccc([O-])cc1)N1CCN([C@H]2CCc3c2cccc3Cl)CC1 ZINC000156038188 496139308 /nfs/dbraw/zinc/13/93/08/496139308.db2.gz UAFMIGDFTBFGRC-IBGZPJMESA-N -1 3 356.853 3.491 20 0 FGADHM CC(C)Cn1nc(C(=O)Nc2cc(F)ccc2[O-])c2ccccc2c1=O ZINC000174872278 496142158 /nfs/dbraw/zinc/14/21/58/496142158.db2.gz MZWYTGDYRCRCMP-UHFFFAOYSA-N -1 3 355.369 3.150 20 0 FGADHM CCOC(=O)c1nnc(-c2cccc(CNCc3ccccc3F)c2)[n-]1 ZINC000571842722 505825929 /nfs/dbraw/zinc/82/59/29/505825929.db2.gz WMVLFYXANRJHIJ-UHFFFAOYSA-N -1 3 354.385 3.077 20 0 FGADHM CCOC(=O)c1nc(-c2cccc(CNCc3ccccc3F)c2)n[n-]1 ZINC000571842722 505825931 /nfs/dbraw/zinc/82/59/31/505825931.db2.gz WMVLFYXANRJHIJ-UHFFFAOYSA-N -1 3 354.385 3.077 20 0 FGADHM CCOC(=O)c1n[n-]c(-c2cccc(CNCc3ccccc3F)c2)n1 ZINC000571842722 505825935 /nfs/dbraw/zinc/82/59/35/505825935.db2.gz WMVLFYXANRJHIJ-UHFFFAOYSA-N -1 3 354.385 3.077 20 0 FGADHM O=C([N-]CCCN[C@H](c1cccc(Cl)c1)c1ccccn1)C(F)(F)F ZINC000180823772 496160362 /nfs/dbraw/zinc/16/03/62/496160362.db2.gz YULCRHGOCWBLTM-OAHLLOKOSA-N -1 3 371.790 3.483 20 0 FGADHM O=C(Nc1nnc2n1CCCC2)c1cc(OCc2ccccc2)ccc1[O-] ZINC000180896199 496191005 /nfs/dbraw/zinc/19/10/05/496191005.db2.gz FLJJEUNHYPQFIT-UHFFFAOYSA-N -1 3 364.405 3.151 20 0 FGADHM O=C(CN[C@H](c1ccccc1)C(F)(F)F)NCc1ccc([O-])c(F)c1 ZINC000156255986 496199262 /nfs/dbraw/zinc/19/92/62/496199262.db2.gz NLXSYXNVUPZABS-MRXNPFEDSA-N -1 3 356.319 3.041 20 0 FGADHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C[S@@](C)=O)c2)c(C)c1 ZINC000172184619 496199683 /nfs/dbraw/zinc/19/96/83/496199683.db2.gz WXTVTGLIPTXSJR-HSZRJFAPSA-N -1 3 367.492 3.073 20 0 FGADHM O=[S@@](Cc1ccc(I)cc1)c1cccc([O-])c1 ZINC000184054072 496220409 /nfs/dbraw/zinc/22/04/09/496220409.db2.gz YSVHQRZJUGZOTB-KRWDZBQOSA-N -1 3 358.200 3.305 20 0 FGADHM Cc1nc(Cl)ccc1C(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000152681683 496224195 /nfs/dbraw/zinc/22/41/95/496224195.db2.gz FFSVQIFQRXESAK-UHFFFAOYSA-N -1 3 373.840 3.240 20 0 FGADHM COC(=O)c1scc(C)c1[N-]C(=O)c1csc([C@@H]2CCCO2)n1 ZINC000186949966 496226015 /nfs/dbraw/zinc/22/60/15/496226015.db2.gz VWGBDGCEGGKCSG-JTQLQIEISA-N -1 3 352.437 3.403 20 0 FGADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1ccc(-c2noc(C(F)(F)F)n2)cc1 ZINC000186950023 496226182 /nfs/dbraw/zinc/22/61/82/496226182.db2.gz PBDPAGZPABKQDU-LLVKDONJSA-N -1 3 372.303 3.335 20 0 FGADHM O=C([N-]O[C@@H]1CCCCO1)Nc1ccc(-c2noc(C(F)(F)F)n2)cc1 ZINC000186950023 496226188 /nfs/dbraw/zinc/22/61/88/496226188.db2.gz PBDPAGZPABKQDU-LLVKDONJSA-N -1 3 372.303 3.335 20 0 FGADHM C[C@H](CSCc1ccccc1)C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000161819796 496243081 /nfs/dbraw/zinc/24/30/81/496243081.db2.gz PVYZGRWIMXJNPO-CQSZACIVSA-N -1 3 367.478 3.052 20 0 FGADHM C[C@H](CSCc1ccccc1)C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000161819796 496243084 /nfs/dbraw/zinc/24/30/84/496243084.db2.gz PVYZGRWIMXJNPO-CQSZACIVSA-N -1 3 367.478 3.052 20 0 FGADHM COCCC1(C[N-]S(=O)(=O)c2ccc(-c3csc(C)n3)s2)CC1 ZINC000152791509 496258428 /nfs/dbraw/zinc/25/84/28/496258428.db2.gz MNLNRMPWPDTLGQ-UHFFFAOYSA-N -1 3 372.537 3.275 20 0 FGADHM O=S(=O)(Cc1c(F)cccc1F)[N-]Cc1cc(-c2ccccc2)on1 ZINC000161923374 496263829 /nfs/dbraw/zinc/26/38/29/496263829.db2.gz AOEOLESZMBMJDP-UHFFFAOYSA-N -1 3 364.373 3.239 20 0 FGADHM Cc1ccc(CS(=O)(=O)[N-]Cc2nc(C(F)(F)F)cs2)cc1F ZINC000184165415 496267233 /nfs/dbraw/zinc/26/72/33/496267233.db2.gz KUULMOPAGBZXOG-UHFFFAOYSA-N -1 3 368.377 3.229 20 0 FGADHM CC(C)Sc1ccccc1C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000156556620 496278860 /nfs/dbraw/zinc/27/88/60/496278860.db2.gz MVMYWQGDSJLPRH-UHFFFAOYSA-N -1 3 358.463 3.053 20 0 FGADHM O=C1CCc2cc([N-]S(=O)(=O)c3ccc(F)cc3)ccc2N1CC1CC1 ZINC000187075447 496281490 /nfs/dbraw/zinc/28/14/90/496281490.db2.gz YFLBLYMLOLBSFM-UHFFFAOYSA-N -1 3 374.437 3.316 20 0 FGADHM CCN(Cc1cnn(C)c1)C(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000172406958 496285408 /nfs/dbraw/zinc/28/54/08/496285408.db2.gz FYRRQLOLGGDZHU-UHFFFAOYSA-N -1 3 365.433 3.367 20 0 FGADHM O=C([O-])[C@@H](c1ccccc1)N1CC[C@H](NC2CC3(C2)CCCCC3)C1=O ZINC000571872846 505834634 /nfs/dbraw/zinc/83/46/34/505834634.db2.gz DAERWMWXZHSGLK-ZWKOTPCHSA-N -1 3 356.466 3.116 20 0 FGADHM CCC[C@H]1C[C@H](C(=O)NCc2ccc([O-])c(Br)c2)CCO1 ZINC000184222387 496293330 /nfs/dbraw/zinc/29/33/30/496293330.db2.gz ZSDKMEDBIRWZTD-OLZOCXBDSA-N -1 3 356.260 3.366 20 0 FGADHM C[C@@]1(C[N-]S(=O)(=O)c2cc(F)ccc2Br)CCCS1 ZINC000156623195 496295556 /nfs/dbraw/zinc/29/55/56/496295556.db2.gz SFGDAZSKGBOQLK-LBPRGKRZSA-N -1 3 368.293 3.152 20 0 FGADHM C[C@@H](NC(=O)Cc1ccc([O-])cc1Cl)c1ccc2c(c1)CCC(=O)N2 ZINC000178082777 496321096 /nfs/dbraw/zinc/32/10/96/496321096.db2.gz HUUPXKSJYXAPBO-LLVKDONJSA-N -1 3 358.825 3.350 20 0 FGADHM CC(C)NC(=O)Nc1ccc(CNC(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000156777872 496331219 /nfs/dbraw/zinc/33/12/19/496331219.db2.gz PUMUZHYFBVYWMS-UHFFFAOYSA-N -1 3 374.416 3.061 20 0 FGADHM Cc1ccc2c(c1)nc(C[N-]S(=O)(=O)c1c(F)cccc1Cl)n2C ZINC000184360051 496351422 /nfs/dbraw/zinc/35/14/22/496351422.db2.gz OEANVZXHWDBGBA-UHFFFAOYSA-N -1 3 367.833 3.153 20 0 FGADHM COc1ccccc1-c1nc(NC(=O)[C@H]2C[C@]23CCc2ccccc23)n[n-]1 ZINC000175361543 496356645 /nfs/dbraw/zinc/35/66/45/496356645.db2.gz KFXZCAYQNWZPEH-IERDGZPVSA-N -1 3 360.417 3.323 20 0 FGADHM COc1ccccc1-c1nc(NC(=O)[C@@H]2C[C@@]23CCc2ccccc23)n[n-]1 ZINC000175361491 496357382 /nfs/dbraw/zinc/35/73/82/496357382.db2.gz KFXZCAYQNWZPEH-HRAATJIYSA-N -1 3 360.417 3.323 20 0 FGADHM COc1cc(C(=O)NCCc2c[nH]c3cc(F)ccc23)cc(OC)c1[O-] ZINC000162531818 496367868 /nfs/dbraw/zinc/36/78/68/496367868.db2.gz GKAHAYWMHAVNGL-UHFFFAOYSA-N -1 3 358.369 3.002 20 0 FGADHM CCC(CC)n1nccc1C(=O)Nc1nc2cccc(C(=O)OC)c2[n-]1 ZINC000162548425 496372145 /nfs/dbraw/zinc/37/21/45/496372145.db2.gz CGEVYRHOHOVBFH-UHFFFAOYSA-N -1 3 355.398 3.159 20 0 FGADHM CCC(CC)n1nccc1C(=O)Nc1nc2c(cccc2C(=O)OC)[n-]1 ZINC000162548425 496372147 /nfs/dbraw/zinc/37/21/47/496372147.db2.gz CGEVYRHOHOVBFH-UHFFFAOYSA-N -1 3 355.398 3.159 20 0 FGADHM O=C(Cc1ccc([O-])cc1Cl)N1CCC(OC[C@H]2CCCCO2)CC1 ZINC000156958918 496374244 /nfs/dbraw/zinc/37/42/44/496374244.db2.gz VJSXWGJSAZHHIU-QGZVFWFLSA-N -1 3 367.873 3.165 20 0 FGADHM O=C(Nc1ccccc1[O-])C1CCN(c2noc(-c3ccccc3)n2)CC1 ZINC000156963990 496375562 /nfs/dbraw/zinc/37/55/62/496375562.db2.gz MUJVNZHNINFDOK-UHFFFAOYSA-N -1 3 364.405 3.297 20 0 FGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H]1CCCOc2cc(F)ccc21 ZINC000181392618 496377078 /nfs/dbraw/zinc/37/70/78/496377078.db2.gz CDZYVCXSUWXJFW-CQSZACIVSA-N -1 3 373.428 3.159 20 0 FGADHM CCc1ccccc1S(=O)(=O)[N-]c1cc(C(=O)NC)ccc1Cl ZINC000187289036 496378385 /nfs/dbraw/zinc/37/83/85/496378385.db2.gz LBFWTGYLHWPTSV-UHFFFAOYSA-N -1 3 352.843 3.063 20 0 FGADHM Cc1ccc([O-])c(C(=O)NCc2ccc(COC3CCOCC3)cc2)c1 ZINC000162592361 496378682 /nfs/dbraw/zinc/37/86/82/496378682.db2.gz ZBOFWGMITQUZNS-UHFFFAOYSA-N -1 3 355.434 3.326 20 0 FGADHM O=C(Cc1ccc([O-])cc1Cl)NCCc1nc2c(s1)CCCC2 ZINC000178234194 496380562 /nfs/dbraw/zinc/38/05/62/496380562.db2.gz SZPUMYFCHNPBGW-UHFFFAOYSA-N -1 3 350.871 3.282 20 0 FGADHM C[C@H](NC(=O)Cc1ccc([O-])cc1Cl)c1nc(Cc2ccccc2)no1 ZINC000157012590 496385274 /nfs/dbraw/zinc/38/52/74/496385274.db2.gz SHIBHSJKRHVOPR-LBPRGKRZSA-N -1 3 371.824 3.439 20 0 FGADHM Cc1cc(C)n2nc(C(=O)[N-]c3sccc3C(=O)OC(C)(C)C)nc2n1 ZINC000184453176 496390323 /nfs/dbraw/zinc/39/03/23/496390323.db2.gz MZWYIWQXYBXSOB-UHFFFAOYSA-N -1 3 373.438 3.010 20 0 FGADHM Cc1cccc(C(=O)N2C[C@H](CCN3CCCC3=O)c3ccccc32)c1[O-] ZINC000175431826 496390353 /nfs/dbraw/zinc/39/03/53/496390353.db2.gz NBULNRAMCFYCAW-INIZCTEOSA-N -1 3 364.445 3.457 20 0 FGADHM COC(=O)CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1cccc([O-])c1 ZINC000187349407 496403135 /nfs/dbraw/zinc/40/31/35/496403135.db2.gz QEJSJOPDSUEKCD-UHFFFAOYSA-N -1 3 367.323 3.226 20 0 FGADHM COc1ccc(C[C@H](C)NC(=O)Cc2ccc([O-])cc2Cl)cc1OC ZINC000178313514 496409974 /nfs/dbraw/zinc/40/99/74/496409974.db2.gz GMNJIGXGSKSTCO-LBPRGKRZSA-N -1 3 363.841 3.353 20 0 FGADHM COCc1cc(CNC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)ccc1F ZINC000178322487 496411512 /nfs/dbraw/zinc/41/15/12/496411512.db2.gz UHDFQAGHAOOMKY-UHFFFAOYSA-N -1 3 372.371 3.191 20 0 FGADHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)Nc1cc(C)cc(C)c1 ZINC000162816000 496416788 /nfs/dbraw/zinc/41/67/88/496416788.db2.gz QZBDPGOMUBSTJF-UHFFFAOYSA-N -1 3 360.435 3.427 20 0 FGADHM Cc1cc([N-]C(=O)[C@@H](C)N2CCn3c(cc4c3cccc4Cl)C2)on1 ZINC000569068183 505842919 /nfs/dbraw/zinc/84/29/19/505842919.db2.gz FRONVCKVOXTGAJ-GFCCVEGCSA-N -1 3 358.829 3.434 20 0 FGADHM O=S(=O)([N-][C@@H]1CCO[C@@H](C2CC2)C1)c1cc(Cl)ccc1Cl ZINC000162830660 496419869 /nfs/dbraw/zinc/41/98/69/496419869.db2.gz MMRLADZXYKNEMB-DGCLKSJQSA-N -1 3 350.267 3.229 20 0 FGADHM Cc1cccc(CC(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)c1 ZINC000178345419 496421618 /nfs/dbraw/zinc/42/16/18/496421618.db2.gz YADUHYCPLZHZCM-UHFFFAOYSA-N -1 3 352.434 3.120 20 0 FGADHM Cc1nc(-c2ccccc2)oc1C(=O)[N-]c1cc(S(C)(=O)=O)ccc1F ZINC000175536654 496432336 /nfs/dbraw/zinc/43/23/36/496432336.db2.gz YNQLHGCMAHLBJP-UHFFFAOYSA-N -1 3 374.393 3.445 20 0 FGADHM O=S(=O)([N-][C@H]1C=CCCC1)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000187425188 496435235 /nfs/dbraw/zinc/43/52/35/496435235.db2.gz HGMAVAZGNZWLIF-HIFRSBDPSA-N -1 3 371.886 3.142 20 0 FGADHM Cc1ccc(C(=O)CCCC(=O)Nc2ccc(Cc3nnn[n-]3)cc2)cc1 ZINC000184569425 496443643 /nfs/dbraw/zinc/44/36/43/496443643.db2.gz PUEHVJSNYIJKGV-UHFFFAOYSA-N -1 3 363.421 3.091 20 0 FGADHM Cc1ccc(C(=O)CCCC(=O)Nc2ccc(Cc3nn[n-]n3)cc2)cc1 ZINC000184569425 496443646 /nfs/dbraw/zinc/44/36/46/496443646.db2.gz PUEHVJSNYIJKGV-UHFFFAOYSA-N -1 3 363.421 3.091 20 0 FGADHM CC1(C)[C@H]([N-]S(=O)(=O)c2cccc(Cl)c2Cl)[C@H]2CCO[C@@H]21 ZINC000153421861 496449749 /nfs/dbraw/zinc/44/97/49/496449749.db2.gz KWUYTYKZRYEYQK-WQHBLYJGSA-N -1 3 350.267 3.085 20 0 FGADHM COc1cc(C(=O)N(C)Cc2ccc(F)cc2Cl)cc(OC)c1[O-] ZINC000153427415 496452339 /nfs/dbraw/zinc/45/23/39/496452339.db2.gz JVGPCVUFGQIQEC-UHFFFAOYSA-N -1 3 353.777 3.474 20 0 FGADHM CC[C@@H]1[C@H](C)CCN1C(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000187469112 496454286 /nfs/dbraw/zinc/45/42/86/496454286.db2.gz GTXZOBLOTRZVPJ-BDJLRTHQSA-N -1 3 357.410 3.202 20 0 FGADHM C[C@@H](c1ccc(Br)cc1)N1CCN(CCCCC(=O)[O-])CC1 ZINC000181587840 496458970 /nfs/dbraw/zinc/45/89/70/496458970.db2.gz DLTQWABBRYLINS-AWEZNQCLSA-N -1 3 369.303 3.383 20 0 FGADHM COC(=O)c1ccc(-c2csc([N-]c3ncnc4nn(C)cc43)n2)cc1 ZINC000163102545 496465333 /nfs/dbraw/zinc/46/53/33/496465333.db2.gz AYADGGOHNHBLKW-UHFFFAOYSA-N -1 3 366.406 3.017 20 0 FGADHM COC(=O)c1cc([N-]S(=O)(=O)c2cc(C)c(F)c(C)c2)c(F)cc1F ZINC000172883885 496476096 /nfs/dbraw/zinc/47/60/96/496476096.db2.gz WWURPBDOFAAOLX-UHFFFAOYSA-N -1 3 373.352 3.308 20 0 FGADHM COc1cc(F)c([N-]S(=O)(=O)c2cc(C)c(F)c(C)c2)cc1OC ZINC000172893525 496479665 /nfs/dbraw/zinc/47/96/65/496479665.db2.gz QPACBZNGQVCWRU-UHFFFAOYSA-N -1 3 357.378 3.400 20 0 FGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C[C@H]2CCC[C@H]2C)cc1OC ZINC000184671565 496487679 /nfs/dbraw/zinc/48/76/79/496487679.db2.gz QQPJKBJMQMHQNY-CHWSQXEVSA-N -1 3 354.472 3.222 20 0 FGADHM Cc1oc2ncnc([N-]c3nc(CC4N=NC(=S)N4C)cs3)c2c1C ZINC000163271269 496491437 /nfs/dbraw/zinc/49/14/37/496491437.db2.gz SFZMRLMEJYQYPC-UHFFFAOYSA-N -1 3 373.467 3.048 20 0 FGADHM Cc1ccc(C(=O)CCCC(=O)Nc2ccccc2[N-]S(C)(=O)=O)cc1 ZINC000184686478 496492454 /nfs/dbraw/zinc/49/24/54/496492454.db2.gz VSSPMTKMLQXUHF-UHFFFAOYSA-N -1 3 374.462 3.358 20 0 FGADHM COC(=O)c1cnc(SCc2nn(-c3ccc(F)cc3)c3c2CCC3)[n-]1 ZINC000187598404 496505682 /nfs/dbraw/zinc/50/56/82/496505682.db2.gz ADJLIYYQWLLEJN-UHFFFAOYSA-N -1 3 372.425 3.302 20 0 FGADHM COc1cccc(C(=O)N2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)c1[O-] ZINC000157577625 496507691 /nfs/dbraw/zinc/50/76/91/496507691.db2.gz CJWBRALSRUQJAC-NVXWUHKLSA-N -1 3 359.397 3.268 20 0 FGADHM C[C@H](Cc1ccccc1Cl)C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000153594176 496511504 /nfs/dbraw/zinc/51/15/04/496511504.db2.gz ZLSVRJHPBFQJRY-GFCCVEGCSA-N -1 3 355.829 3.015 20 0 FGADHM C[C@H](Cc1ccccc1Cl)C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000153594176 496511510 /nfs/dbraw/zinc/51/15/10/496511510.db2.gz ZLSVRJHPBFQJRY-GFCCVEGCSA-N -1 3 355.829 3.015 20 0 FGADHM CCCCOCC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000175767828 496536750 /nfs/dbraw/zinc/53/67/50/496536750.db2.gz SLEXWRCRHLAQPH-UHFFFAOYSA-N -1 3 368.861 3.039 20 0 FGADHM COc1cc2c(cc1OC)CCN([C@@H](C)c1cc(C(=O)[O-])c(C)o1)CC2 ZINC000574763458 505850340 /nfs/dbraw/zinc/85/03/40/505850340.db2.gz SVATYTNCQPHBEE-LBPRGKRZSA-N -1 3 359.422 3.465 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)c3cc(-c4ccccc4)no3)[n-]c21 ZINC000157780895 496553553 /nfs/dbraw/zinc/55/35/53/496553553.db2.gz ZZRMTDADFYEEBS-UHFFFAOYSA-N -1 3 362.345 3.257 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cc(-c4ccccc4)no3)nc21 ZINC000157780895 496553561 /nfs/dbraw/zinc/55/35/61/496553561.db2.gz ZZRMTDADFYEEBS-UHFFFAOYSA-N -1 3 362.345 3.257 20 0 FGADHM CC(C)[C@@](C)(O)C[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000178742643 496557404 /nfs/dbraw/zinc/55/74/04/496557404.db2.gz FWMXXQPCTSJCKJ-LBPRGKRZSA-N -1 3 359.797 3.044 20 0 FGADHM COC(=O)[C@@H](NC(=O)Cc1ccc([O-])cc1Cl)c1ccc(C)c(C)c1 ZINC000187766450 496562764 /nfs/dbraw/zinc/56/27/64/496562764.db2.gz BCWYTLPJJXBZKX-SFHVURJKSA-N -1 3 361.825 3.235 20 0 FGADHM NC(=O)CCSc1ccccc1[N-]C(=O)c1ccc(F)c(F)c1F ZINC000175871035 496581324 /nfs/dbraw/zinc/58/13/24/496581324.db2.gz ACLYBMPLMFXODN-UHFFFAOYSA-N -1 3 354.353 3.324 20 0 FGADHM Cn1ncc2c1ncc(C(=O)Nc1cnccc1Oc1ccccc1)c2[O-] ZINC000181886409 496586221 /nfs/dbraw/zinc/58/62/21/496586221.db2.gz DUMZTPQBIGTUFT-UHFFFAOYSA-N -1 3 361.361 3.114 20 0 FGADHM C[C@H](NC(=O)c1c[n-]c2ccccc2c1=O)c1nc(C2CCCCC2)no1 ZINC000173237226 496606932 /nfs/dbraw/zinc/60/69/32/496606932.db2.gz IMCZSAMZAOFUBZ-LBPRGKRZSA-N -1 3 366.421 3.450 20 0 FGADHM CCCCN(C(=O)c1cccc([C@]2(C)NC(=O)[N-]C2=O)c1)c1ccccc1 ZINC000164411255 496610756 /nfs/dbraw/zinc/61/07/56/496610756.db2.gz DJABOZCTUDOXSQ-NRFANRHFSA-N -1 3 365.433 3.188 20 0 FGADHM CCN1C(=O)CCc2cc(NC(=O)c3cc(C)cc(OC)c3[O-])ccc21 ZINC000184985391 496612147 /nfs/dbraw/zinc/61/21/47/496612147.db2.gz KXTRSQDUUZRSJP-UHFFFAOYSA-N -1 3 354.406 3.261 20 0 FGADHM C[C@@H](CCc1cccc(F)c1)C(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000173276829 496622655 /nfs/dbraw/zinc/62/26/55/496622655.db2.gz LTILRZGDLVQRLN-ZDUSSCGKSA-N -1 3 364.442 3.405 20 0 FGADHM Cc1cc(C)c2[n-]cc(C(=O)N3CCO[C@H](c4ccco4)C3)c(=O)c2c1 ZINC000164663096 496626475 /nfs/dbraw/zinc/62/64/75/496626475.db2.gz ZPUREUOQXCBHBS-KRWDZBQOSA-N -1 3 352.390 3.364 20 0 FGADHM CCc1cc(NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)ccc1C ZINC000181998708 496629432 /nfs/dbraw/zinc/62/94/32/496629432.db2.gz UJCQMRVWSOQJKL-UHFFFAOYSA-N -1 3 367.449 3.253 20 0 FGADHM O=S(=O)(Cc1c(Cl)cccc1Cl)[N-][C@@H](CO)Cc1ccccc1 ZINC000187990544 496642945 /nfs/dbraw/zinc/64/29/45/496642945.db2.gz GYKRDOXSWBWSJQ-CYBMUJFWSA-N -1 3 374.289 3.016 20 0 FGADHM O=C(NCc1ccnc(OC2CCCCC2)c1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000569116353 505856902 /nfs/dbraw/zinc/85/69/02/505856902.db2.gz IBJKQUGWKJBADQ-UHFFFAOYSA-N -1 3 368.437 3.096 20 0 FGADHM COCc1nnc(-c2cccc(C(=O)Nc3cc(Cl)ccc3[O-])c2)o1 ZINC000182071777 496658618 /nfs/dbraw/zinc/65/86/18/496658618.db2.gz IWJFQSGMXSGEDS-UHFFFAOYSA-N -1 3 359.769 3.494 20 0 FGADHM COc1cc(Cl)c(Cl)cc1C(=O)Nc1cc(-c2nccn2C)[n-]n1 ZINC000179052597 496659778 /nfs/dbraw/zinc/65/97/78/496659778.db2.gz UWJQSLGGYBUOPW-UHFFFAOYSA-N -1 3 366.208 3.378 20 0 FGADHM COc1cc(Cl)c(Cl)cc1C(=O)Nc1cc(-c2nccn2C)n[n-]1 ZINC000179052597 496659782 /nfs/dbraw/zinc/65/97/82/496659782.db2.gz UWJQSLGGYBUOPW-UHFFFAOYSA-N -1 3 366.208 3.378 20 0 FGADHM O=C(CNC(=O)c1cccc([O-])c1)N[C@@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000580877195 505858758 /nfs/dbraw/zinc/85/87/58/505858758.db2.gz NJAGXBJFZPXUAY-WMLDXEAASA-N -1 3 372.852 3.228 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]CC2(CCO)CCCCC2)sc1Cl ZINC000188151506 496702465 /nfs/dbraw/zinc/70/24/65/496702465.db2.gz CPQWGEKLOCXNCP-UHFFFAOYSA-N -1 3 351.921 3.321 20 0 FGADHM Cc1ccc([C@H](CNC(=O)NCc2ccc([O-])c(F)c2)N2CCCC2)o1 ZINC000158477543 496710355 /nfs/dbraw/zinc/71/03/55/496710355.db2.gz FDOWXDOHZFALIR-INIZCTEOSA-N -1 3 361.417 3.069 20 0 FGADHM Cc1cc(N2CCCC2)ccc1[N-]S(=O)(=O)c1ccc2c(c1)OCO2 ZINC000182269981 496723661 /nfs/dbraw/zinc/72/36/61/496723661.db2.gz ZZEOFSOCIIBDSF-UHFFFAOYSA-N -1 3 360.435 3.125 20 0 FGADHM CCc1ccc(C(=O)N[C@@H](C)c2nc(Cc3ccccc3)no2)c([O-])c1 ZINC000188268468 496735143 /nfs/dbraw/zinc/73/51/43/496735143.db2.gz DUJUINAKCPFWJV-ZDUSSCGKSA-N -1 3 351.406 3.419 20 0 FGADHM C[C@@H](C(=O)N1CCc2c(nc[n-]c2=O)C1)c1ccc(Cl)c(Cl)c1 ZINC000273206353 496739480 /nfs/dbraw/zinc/73/94/80/496739480.db2.gz JCHRLEOBIYYHEW-SECBINFHSA-N -1 3 352.221 3.177 20 0 FGADHM Cc1nc(C)c(CCC(=O)OCc2cnc(-c3ccccc3)s2)c(=O)[n-]1 ZINC000194929220 496763428 /nfs/dbraw/zinc/76/34/28/496763428.db2.gz IRMNNROWYCSGMU-UHFFFAOYSA-N -1 3 369.446 3.186 20 0 FGADHM COc1ccc([O-])c(C(=O)N2CCC(C(=O)c3ccc(F)cc3)CC2)c1 ZINC000194927144 496763660 /nfs/dbraw/zinc/76/36/60/496763660.db2.gz RYVYQTCPRZGCSQ-UHFFFAOYSA-N -1 3 357.381 3.275 20 0 FGADHM C[C@@H](CON=C([O-])Nc1ccc2ncsc2c1)NC(=O)OC(C)(C)C ZINC000273306583 496769163 /nfs/dbraw/zinc/76/91/63/496769163.db2.gz GWAHMGDEOXIXCH-JTQLQIEISA-N -1 3 366.443 3.263 20 0 FGADHM C[C@@H](CO[N-]C(=O)Nc1ccc2ncsc2c1)NC(=O)OC(C)(C)C ZINC000273306583 496769170 /nfs/dbraw/zinc/76/91/70/496769170.db2.gz GWAHMGDEOXIXCH-JTQLQIEISA-N -1 3 366.443 3.263 20 0 FGADHM COc1cccc(C[C@H](NCc2nc3ccc(Cl)cc3n2C)C(=O)[O-])c1 ZINC000277441255 496773535 /nfs/dbraw/zinc/77/35/35/496773535.db2.gz UNDKEWFBRJBXTK-INIZCTEOSA-N -1 3 373.840 3.021 20 0 FGADHM Cc1cc(C)c(CN[C@H](Cn2ccc(C(F)(F)F)n2)C(=O)[O-])cc1C ZINC000277512564 496798031 /nfs/dbraw/zinc/79/80/31/496798031.db2.gz YGRLJJLHAGVBDN-CQSZACIVSA-N -1 3 355.360 3.070 20 0 FGADHM O=C(NCC[C@H]1C(=O)Nc2ccccc21)c1cc([O-])ccc1C(F)(F)F ZINC000195069290 496812335 /nfs/dbraw/zinc/81/23/35/496812335.db2.gz GTHNUDOCJYFFQA-GFCCVEGCSA-N -1 3 364.323 3.267 20 0 FGADHM Cc1cc(NC([O-])=NOCc2cccnc2)cnc1N1CCCC[C@H]1C ZINC000273509089 496825732 /nfs/dbraw/zinc/82/57/32/496825732.db2.gz QMXZCWBNVPKGON-OAHLLOKOSA-N -1 3 355.442 3.417 20 0 FGADHM Cc1cc(NC(=O)[N-]OCc2cccnc2)cnc1N1CCCC[C@H]1C ZINC000273509089 496825735 /nfs/dbraw/zinc/82/57/35/496825735.db2.gz QMXZCWBNVPKGON-OAHLLOKOSA-N -1 3 355.442 3.417 20 0 FGADHM CN(C(=O)c1ccc2n[n-]nc2c1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273564534 496841558 /nfs/dbraw/zinc/84/15/58/496841558.db2.gz JAVZRHYEOVQYCC-YJBOKZPZSA-N -1 3 354.385 3.089 20 0 FGADHM O=S(=O)([N-][C@H]1CCCN(Cc2ccc(F)cc2Cl)C1)c1ccco1 ZINC000188682646 496874890 /nfs/dbraw/zinc/87/48/90/496874890.db2.gz KCYHOFDMZQGBSK-AWEZNQCLSA-N -1 3 372.849 3.015 20 0 FGADHM COc1ccc(CN2CCC[C@H](c3ncc[nH]3)C2)c(Br)c1[O-] ZINC000273696233 496877340 /nfs/dbraw/zinc/87/73/40/496877340.db2.gz CKAGIBYPLFHHHG-LBPRGKRZSA-N -1 3 366.259 3.266 20 0 FGADHM CCn1cc(-c2nc(Cc3nc(=O)c4c(C5CC5)csc4[n-]3)no2)cn1 ZINC000273694796 496877844 /nfs/dbraw/zinc/87/78/44/496877844.db2.gz FQYGAFVUWPPVNA-UHFFFAOYSA-N -1 3 368.422 3.132 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N3CCN(C)CC34CCCCC4)c[n-]c12 ZINC000269229919 496899196 /nfs/dbraw/zinc/89/91/96/496899196.db2.gz FRWDVJVSARANSE-UHFFFAOYSA-N -1 3 371.456 3.478 20 0 FGADHM CCC[C@@H]1C[C@H](c2nc(-c3ccc([N-]S(C)(=O)=O)cc3)no2)CCO1 ZINC000273764557 496900570 /nfs/dbraw/zinc/90/05/70/496900570.db2.gz QMRBIQPQKPCQQR-UKRRQHHQSA-N -1 3 365.455 3.171 20 0 FGADHM COc1ccc(CN2CCC3(C2)CCOCC3)c(Br)c1[O-] ZINC000273777721 496904244 /nfs/dbraw/zinc/90/42/44/496904244.db2.gz SCOWTOCZBZGVSK-UHFFFAOYSA-N -1 3 356.260 3.166 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N3CCC[C@@H](c4ncc[nH]4)C3)c[n-]c12 ZINC000269306565 496915187 /nfs/dbraw/zinc/91/51/87/496915187.db2.gz ZKHOZZGASNNCOZ-GFCCVEGCSA-N -1 3 354.385 3.131 20 0 FGADHM COc1ccc(NCc2cccc(OC(F)F)c2)cc1[N-]S(C)(=O)=O ZINC000269335722 496921936 /nfs/dbraw/zinc/92/19/36/496921936.db2.gz ZWQTVKRIVAENSY-UHFFFAOYSA-N -1 3 372.393 3.280 20 0 FGADHM COCCOc1ccc(S(=O)(=O)[N-]c2cccc(C(F)F)c2)cc1 ZINC000195451700 496926745 /nfs/dbraw/zinc/92/67/45/496926745.db2.gz ACLIUPJLDHJZEI-UHFFFAOYSA-N -1 3 357.378 3.450 20 0 FGADHM CCCCc1nc(C(=O)OCC)c(NC(=O)c2cccc(F)c2F)[n-]1 ZINC000191963025 496945239 /nfs/dbraw/zinc/94/52/39/496945239.db2.gz ROHVKMHUBAPACW-UHFFFAOYSA-N -1 3 351.353 3.460 20 0 FGADHM CCCCc1nc(NC(=O)c2cccc(F)c2F)c(C(=O)OCC)[n-]1 ZINC000191963025 496945241 /nfs/dbraw/zinc/94/52/41/496945241.db2.gz ROHVKMHUBAPACW-UHFFFAOYSA-N -1 3 351.353 3.460 20 0 FGADHM O=S(=O)([N-][C@H]1CCC[C@@H]1CCO)c1cc2cc(Cl)ccc2s1 ZINC000188912346 496946207 /nfs/dbraw/zinc/94/62/07/496946207.db2.gz ZHFRDMXKAWINFD-MFKMUULPSA-N -1 3 359.900 3.384 20 0 FGADHM CCCCc1nc(C(=O)OCC)c(NC(=O)CC[C@@H]2CCCCO2)[n-]1 ZINC000191965144 496946599 /nfs/dbraw/zinc/94/65/99/496946599.db2.gz PGNCFNBGHOTMEN-ZDUSSCGKSA-N -1 3 351.447 3.217 20 0 FGADHM CCCCc1nc(NC(=O)CC[C@@H]2CCCCO2)c(C(=O)OCC)[n-]1 ZINC000191965144 496946602 /nfs/dbraw/zinc/94/66/02/496946602.db2.gz PGNCFNBGHOTMEN-ZDUSSCGKSA-N -1 3 351.447 3.217 20 0 FGADHM Cc1cccc2nc(C3CCN(C(=O)c4cccc5[n-]nnc54)CC3)oc21 ZINC000188926472 496949750 /nfs/dbraw/zinc/94/97/50/496949750.db2.gz IWXXCNFNQHIEKU-UHFFFAOYSA-N -1 3 361.405 3.427 20 0 FGADHM Cc1cccc2nc(C3CCN(C(=O)c4cccc5nn[n-]c54)CC3)oc21 ZINC000188926472 496949757 /nfs/dbraw/zinc/94/97/57/496949757.db2.gz IWXXCNFNQHIEKU-UHFFFAOYSA-N -1 3 361.405 3.427 20 0 FGADHM Cc1cccc2nc(C3CCN(C(=O)c4cccc5n[n-]nc54)CC3)oc21 ZINC000188926472 496949758 /nfs/dbraw/zinc/94/97/58/496949758.db2.gz IWXXCNFNQHIEKU-UHFFFAOYSA-N -1 3 361.405 3.427 20 0 FGADHM CCc1cnc(S(=O)(=O)Cc2ccc(Br)c(Cl)c2)[n-]1 ZINC000188941299 496954110 /nfs/dbraw/zinc/95/41/10/496954110.db2.gz NOSVNPWCTACVCE-UHFFFAOYSA-N -1 3 363.664 3.362 20 0 FGADHM CCc1c[n-]c(S(=O)(=O)Cc2ccc(Br)c(Cl)c2)n1 ZINC000188941299 496954113 /nfs/dbraw/zinc/95/41/13/496954113.db2.gz NOSVNPWCTACVCE-UHFFFAOYSA-N -1 3 363.664 3.362 20 0 FGADHM O=C(C[C@@H]1CCCCCN1C(=O)c1ccc2n[n-]nc2c1)c1ccco1 ZINC000269555859 496969999 /nfs/dbraw/zinc/96/99/99/496969999.db2.gz ZBIOJGUYMPWNIH-AWEZNQCLSA-N -1 3 352.394 3.209 20 0 FGADHM CCCN(CCc1cccs1)[C@@H](C)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000572048689 505876810 /nfs/dbraw/zinc/87/68/10/505876810.db2.gz NOOSZGZORHGSNX-HNNXBMFYSA-N -1 3 374.506 3.406 20 0 FGADHM CC(C)(C)[C@@H](CCO)NC(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000188997006 496972815 /nfs/dbraw/zinc/97/28/15/496972815.db2.gz PCNVGCKRQGTEGQ-GOSISDBHSA-N -1 3 355.434 3.150 20 0 FGADHM COC(=O)[C@H]1CC[C@@H](NC(=O)c2cc(OCc3ccccc3)ccc2[O-])C1 ZINC000580959771 505877399 /nfs/dbraw/zinc/87/73/99/505877399.db2.gz GNAVNNNCRLXQPI-JKSUJKDBSA-N -1 3 369.417 3.043 20 0 FGADHM O=C([N-]c1cnns1)C(=O)Nc1cccc(CCCc2ccccc2)c1 ZINC000192087032 496991168 /nfs/dbraw/zinc/99/11/68/496991168.db2.gz LTZQKKXLIAZEIC-UHFFFAOYSA-N -1 3 366.446 3.291 20 0 FGADHM CN(C)c1cccc(NC(=O)c2ccc(C(=O)c3cccc([O-])c3)cc2)n1 ZINC000189054504 496993549 /nfs/dbraw/zinc/99/35/49/496993549.db2.gz PXJNTFLTLIFVMR-UHFFFAOYSA-N -1 3 361.401 3.337 20 0 FGADHM COc1nc(C)c(Br)cc1C(=O)Nc1c(C)cccc1[O-] ZINC000189068207 496997557 /nfs/dbraw/zinc/99/75/57/496997557.db2.gz YOGZTKFSCNJFSI-UHFFFAOYSA-N -1 3 351.200 3.427 20 0 FGADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1cc(Br)c(F)cc1F ZINC000189081411 497001571 /nfs/dbraw/zinc/00/15/71/497001571.db2.gz KEDJOWOMSQCJPN-LLVKDONJSA-N -1 3 351.147 3.307 20 0 FGADHM O=C([N-]O[C@@H]1CCCCO1)Nc1cc(Br)c(F)cc1F ZINC000189081411 497001575 /nfs/dbraw/zinc/00/15/75/497001575.db2.gz KEDJOWOMSQCJPN-LLVKDONJSA-N -1 3 351.147 3.307 20 0 FGADHM COc1cc(C(=O)N[C@@H]2CCOc3c(Cl)cccc32)cc(OC)c1[O-] ZINC000269897470 497020408 /nfs/dbraw/zinc/02/04/08/497020408.db2.gz CVRSKMJYNOQOMQ-CYBMUJFWSA-N -1 3 363.797 3.316 20 0 FGADHM COc1cc(C(=O)N2C[C@@H](c3ccccc3C)OC[C@@H]2C)cc(OC)c1[O-] ZINC000269902186 497020524 /nfs/dbraw/zinc/02/05/24/497020524.db2.gz DTOYAHHJDPQFCT-LIRRHRJNSA-N -1 3 371.433 3.320 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CC[C@H](C)C(C)(C)C2)c1 ZINC000274159991 497030516 /nfs/dbraw/zinc/03/05/16/497030516.db2.gz GZPZXBIYIZPRMH-LBPRGKRZSA-N -1 3 371.437 3.449 20 0 FGADHM CCc1ccc(C(=O)N(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c([O-])c1 ZINC000189176351 497033970 /nfs/dbraw/zinc/03/39/70/497033970.db2.gz UYJYEFOKVUOGCU-ZDUSSCGKSA-N -1 3 361.463 3.191 20 0 FGADHM CCc1ccc([C@@H]2CN(C(=O)NCc3ccc([O-])c(F)c3)CCO2)cc1 ZINC000189180188 497035281 /nfs/dbraw/zinc/03/52/81/497035281.db2.gz NFMYCELEHUSJLZ-IBGZPJMESA-N -1 3 358.413 3.377 20 0 FGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@@H](C)C2CCCC2)cc1OC ZINC000265057394 497039332 /nfs/dbraw/zinc/03/93/32/497039332.db2.gz VDSBCNKBBOHWPF-LBPRGKRZSA-N -1 3 369.487 3.157 20 0 FGADHM CS[C@H](C)C[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000192226288 497041406 /nfs/dbraw/zinc/04/14/06/497041406.db2.gz WEKWLMPGPBVABH-SSDOTTSWSA-N -1 3 358.710 3.132 20 0 FGADHM Cc1cc([N-]C(=O)[C@@H](C)N2CCc3cc(Br)ccc3C2)on1 ZINC000192249408 497048816 /nfs/dbraw/zinc/04/88/16/497048816.db2.gz JTHKUUKBHRVBST-LLVKDONJSA-N -1 3 364.243 3.131 20 0 FGADHM C[C@H](N1CCN(C(=O)c2cc([O-])ccc2C(F)(F)F)CC1)C(F)(F)F 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ZINC000315340350 498782292 /nfs/dbraw/zinc/78/22/92/498782292.db2.gz ODMJNIQWTMQPOE-ZBFHGGJFSA-N -1 3 356.260 3.323 20 0 FGADHM COc1ccc(CNCc2cccc([O-])c2Br)c(OC)c1 ZINC000315512714 498784531 /nfs/dbraw/zinc/78/45/31/498784531.db2.gz IEGDLWJWCFEZAS-UHFFFAOYSA-N -1 3 352.228 3.462 20 0 FGADHM Cc1cccc2c(=O)c(C(=O)N[C@@H]3CCO[C@@H](c4cccnc4)C3)c[n-]c12 ZINC000298485702 498788116 /nfs/dbraw/zinc/78/81/16/498788116.db2.gz RYHYQUSEOBWYBI-CRAIPNDOSA-N -1 3 363.417 3.294 20 0 FGADHM CCN1CCC(C[N-]S(=O)(=O)c2cc(Cl)sc2Cl)CC1 ZINC000581921323 506090196 /nfs/dbraw/zinc/09/01/96/506090196.db2.gz LQVNEXLAAIESKY-UHFFFAOYSA-N -1 3 357.328 3.065 20 0 FGADHM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1nc(Cc2cccc(F)c2)no1 ZINC000570100341 506090774 /nfs/dbraw/zinc/09/07/74/506090774.db2.gz MKLLEGUHQVELRG-KBMXLJTQSA-N -1 3 359.401 3.017 20 0 FGADHM Cc1ccc2[n-]cc(C(=O)N3CCCN4c5ccccc5C[C@@H]4C3)c(=O)c2c1 ZINC000332867607 498818720 /nfs/dbraw/zinc/81/87/20/498818720.db2.gz CWDPKRUEHDGZBL-QGZVFWFLSA-N -1 3 373.456 3.114 20 0 FGADHM C[C@@H]1CCN([C@@H](C(=O)Nc2ccccc2)c2ccccc2)C[C@@H]1C(=O)[O-] ZINC000573000797 506096491 /nfs/dbraw/zinc/09/64/91/506096491.db2.gz RTYXWGYDYSUKLT-AYOQOUSVSA-N -1 3 352.434 3.409 20 0 FGADHM O=C([O-])[C@]1(C(F)(F)F)CCN(Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000324431535 498829252 /nfs/dbraw/zinc/82/92/52/498829252.db2.gz BQABVMHKQUTEHM-LBPRGKRZSA-N -1 3 357.250 3.424 20 0 FGADHM O=C(N[C@H]1CCOc2c(Cl)cccc21)c1c[n-]nc1-c1ccccn1 ZINC000570132056 506097644 /nfs/dbraw/zinc/09/76/44/506097644.db2.gz UUOKHXBJXHGATJ-AWEZNQCLSA-N -1 3 354.797 3.379 20 0 FGADHM Cc1cc(CN2C[C@@H](c3ccc(Br)cc3)[C@H](C(=O)[O-])C2)no1 ZINC000573008940 506098395 /nfs/dbraw/zinc/09/83/95/506098395.db2.gz JCEBMZOUBRIEPR-LSDHHAIUSA-N -1 3 365.227 3.046 20 0 FGADHM CCOC(=O)c1cc(C(=O)O[C@@H]([C@H]2CCCOC2)C(F)(F)F)[n-]c1C ZINC000298634601 498835168 /nfs/dbraw/zinc/83/51/68/498835168.db2.gz NCPUADQFILUTIK-GWCFXTLKSA-N -1 3 363.332 3.014 20 0 FGADHM O=C(c1csc(=O)[n-]1)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000366272062 498851964 /nfs/dbraw/zinc/85/19/64/498851964.db2.gz UKAPUVHUMAHCJH-SSDOTTSWSA-N -1 3 363.386 3.344 20 0 FGADHM COC1([C@H](C)[N-]S(=O)(=O)c2csc(-c3ccccc3)n2)CCC1 ZINC000570145864 506101030 /nfs/dbraw/zinc/10/10/30/506101030.db2.gz DGNXHNTYQVPHPE-LBPRGKRZSA-N -1 3 352.481 3.046 20 0 FGADHM O=C(Nc1cccc(OC[C@H]2CCCO2)c1)c1c[n-]nc1-c1ccncc1 ZINC000298742137 498866888 /nfs/dbraw/zinc/86/68/88/498866888.db2.gz XLHNOAMZRWPKCC-QGZVFWFLSA-N -1 3 364.405 3.282 20 0 FGADHM O=C(Nc1cccc(OC[C@H]2CCCO2)c1)c1cn[n-]c1-c1ccncc1 ZINC000298742137 498866894 /nfs/dbraw/zinc/86/68/94/498866894.db2.gz XLHNOAMZRWPKCC-QGZVFWFLSA-N -1 3 364.405 3.282 20 0 FGADHM Cn1[n-]c(-c2ccccc2Cl)nc1=NC(=O)c1cnc2ccsc2c1 ZINC000581977141 506103809 /nfs/dbraw/zinc/10/38/09/506103809.db2.gz UZTUUBYRSHGDGJ-UHFFFAOYSA-N -1 3 369.837 3.419 20 0 FGADHM O=C(c1ccoc1)N1CCCN(C(=O)c2cc([O-])c3ccccc3c2)CC1 ZINC000366311845 498868925 /nfs/dbraw/zinc/86/89/25/498868925.db2.gz GFFLFMJXXVTRGD-UHFFFAOYSA-N -1 3 364.401 3.127 20 0 FGADHM COc1cccc(OC)c1OC1CCN(C(=O)c2cc(C)ccc2[O-])CC1 ZINC000298753620 498869898 /nfs/dbraw/zinc/86/98/98/498869898.db2.gz YRDHQTIEGXQKTI-UHFFFAOYSA-N -1 3 371.433 3.401 20 0 FGADHM O=C(c1ccccc1[O-])N1CCN(C(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)CC1 ZINC000333018386 498871881 /nfs/dbraw/zinc/87/18/81/498871881.db2.gz CRYCQRUZYCFTGY-KZNAEPCWSA-N -1 3 370.493 3.283 20 0 FGADHM O=C(N[C@@H]1C[C@@H]1C1CCCCC1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000333024185 498873672 /nfs/dbraw/zinc/87/36/72/498873672.db2.gz GAHPQMUINVZALA-KZNAEPCWSA-N -1 3 356.466 3.082 20 0 FGADHM C[C@H]1CCN(C(=O)C2CN(C(=O)C3CCCCC3)C2)c2c([O-])cccc21 ZINC000333042493 498878823 /nfs/dbraw/zinc/87/88/23/498878823.db2.gz AIGHORYHHDOOMS-AWEZNQCLSA-N -1 3 356.466 3.271 20 0 FGADHM Cc1cc(=O)c(-c2noc(-c3cc4c(cc3[O-])CCCC4)n2)c2n1CCC2 ZINC000333044149 498880221 /nfs/dbraw/zinc/88/02/21/498880221.db2.gz KDDIIVHJGRSAHY-UHFFFAOYSA-N -1 3 363.417 3.404 20 0 FGADHM COC(=O)[C@@H]1CCN(Cc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)C1 ZINC000298817242 498885910 /nfs/dbraw/zinc/88/59/10/498885910.db2.gz WQZCBWBMCZSAJH-CYBMUJFWSA-N -1 3 369.446 3.059 20 0 FGADHM Cc1ccc([C@H]2CSCCN2C(=O)c2cc(=O)c3ccccc3[n-]2)o1 ZINC000363578406 498888139 /nfs/dbraw/zinc/88/81/39/498888139.db2.gz NOMMVVIHOVJOFM-MRXNPFEDSA-N -1 3 354.431 3.360 20 0 FGADHM Cc1cc(C)c2[n-]cc(C(=O)N3CC(C)(C)[C@H]3c3nccn3C)c(=O)c2c1 ZINC000333071123 498888396 /nfs/dbraw/zinc/88/83/96/498888396.db2.gz KDSYLSJPOMPGPC-GOSISDBHSA-N -1 3 364.449 3.102 20 0 FGADHM O=C([N-]c1nnc(SCc2ccccc2)s1)c1cnn2c1OCCC2 ZINC000366364567 498892742 /nfs/dbraw/zinc/89/27/42/498892742.db2.gz PDKJGHROJHGQDI-UHFFFAOYSA-N -1 3 373.463 3.062 20 0 FGADHM CC[C@H]1CN(c2c(C(=O)[O-])cnc3c(C)cc(C)cc32)C[C@]2(CCOC2)O1 ZINC000582005627 506110682 /nfs/dbraw/zinc/11/06/82/506110682.db2.gz CZAGZKJIBDORPN-BTYIYWSLSA-N -1 3 370.449 3.324 20 0 FGADHM COCC[C@@H]([N-]S(=O)(=O)C[C@H]1CCCC1(F)F)c1ccc(C)o1 ZINC000295194794 498939205 /nfs/dbraw/zinc/93/92/05/498939205.db2.gz RPVCADGLNDKVDT-CHWSQXEVSA-N -1 3 351.415 3.020 20 0 FGADHM CC[C@@H](c1cccc(OC)c1)N(C)C(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000288043156 498931323 /nfs/dbraw/zinc/93/13/23/498931323.db2.gz BCOQARAOGSNWIB-SFHVURJKSA-N -1 3 357.454 3.350 20 0 FGADHM C[C@]12CCCN1C[C@H](c1noc(-c3cc4c(cc3[O-])CCCC4)n1)OC2 ZINC000333208156 498937448 /nfs/dbraw/zinc/93/74/48/498937448.db2.gz BBAQXLJMBTXLLA-YLJYHZDGSA-N -1 3 355.438 3.247 20 0 FGADHM C[C@@H]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCN3C(=O)c3ccccc3[O-])C2)C1 ZINC000333213882 498939660 /nfs/dbraw/zinc/93/96/60/498939660.db2.gz CASDUDBCFSDHBA-LDBYXDLTSA-N -1 3 356.466 3.036 20 0 FGADHM CO[C@@H](CS(=O)(=O)[N-]c1ccc(F)c([C@@H](C)O)c1)c1ccccc1 ZINC000295198755 498940951 /nfs/dbraw/zinc/94/09/51/498940951.db2.gz MRXQOIPLVKGDCB-PXAZEXFGSA-N -1 3 353.415 3.008 20 0 FGADHM CCOc1cc(C(=O)[N-]c2cc(Cl)ccc2O[C@H](C)COC)on1 ZINC000295209432 498943690 /nfs/dbraw/zinc/94/36/90/498943690.db2.gz LXYUWVDCTAWJKU-SNVBAGLBSA-N -1 3 354.790 3.393 20 0 FGADHM COCC[C@@H]([N-]S(=O)(=O)C[C@H]1CCCCC1(F)F)c1ccc(C)o1 ZINC000295215730 498944946 /nfs/dbraw/zinc/94/49/46/498944946.db2.gz VDLXQSUVXMKGTR-ZIAGYGMSSA-N -1 3 365.442 3.411 20 0 FGADHM C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1C(=O)c1cnc2c(cnn2C)c1[O-] ZINC000366510856 498959613 /nfs/dbraw/zinc/95/96/13/498959613.db2.gz FKRJBDRAAMKFAW-IPYPFGDCSA-N -1 3 350.422 3.081 20 0 FGADHM O=S(=O)(C[C@H]1CCCC1(F)F)[N-]Cc1nc(C(F)(F)F)cs1 ZINC000295270232 498961359 /nfs/dbraw/zinc/96/13/59/498961359.db2.gz RZCBUELAMPCVSI-SSDOTTSWSA-N -1 3 364.361 3.017 20 0 FGADHM COc1ccccc1[C@@H](NC(=O)/C=C/c1cncc([O-])c1)c1ccco1 ZINC000366531959 498968438 /nfs/dbraw/zinc/96/84/38/498968438.db2.gz RQKRIIYCUDKVFG-NDDJGDGRSA-N -1 3 350.374 3.308 20 0 FGADHM O=S(=O)([N-][C@@H]1CCC[C@@H]2OCC[C@H]21)c1ccc(C(F)(F)F)cc1F ZINC000333320761 498978589 /nfs/dbraw/zinc/97/85/89/498978589.db2.gz LCOFAMLULVJTJN-UHTWSYAYSA-N -1 3 367.364 3.080 20 0 FGADHM CCC[C@H](C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C)c1ccccc1 ZINC000291551984 498988286 /nfs/dbraw/zinc/98/82/86/498988286.db2.gz MYKMWEBAYNWXMO-AWEZNQCLSA-N -1 3 353.422 3.105 20 0 FGADHM CC(C)C[C@@H](CO)N(C)Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000299220922 498997599 /nfs/dbraw/zinc/99/75/99/498997599.db2.gz HTIMBIBGQICLKO-LBPRGKRZSA-N -1 3 361.467 3.496 20 0 FGADHM Cc1cc(C)c2[n-]cc(C(=O)N(C)Cc3nncn3C(C)C)c(=O)c2c1 ZINC000295464889 499026342 /nfs/dbraw/zinc/02/63/42/499026342.db2.gz YKJPUGOTYQCDHH-UHFFFAOYSA-N -1 3 353.426 3.002 20 0 FGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]CC(C)(C)c2ncccc2C)c1 ZINC000573142793 506128050 /nfs/dbraw/zinc/12/80/50/506128050.db2.gz LZNMBZLMFTYELF-UHFFFAOYSA-N -1 3 368.886 3.308 20 0 FGADHM Cc1nnc(-c2cccc(NC([O-])=NOCc3ccc(F)cc3)c2)n1C ZINC000363883160 499039064 /nfs/dbraw/zinc/03/90/64/499039064.db2.gz CJULBYNLEUIDAI-UHFFFAOYSA-N -1 3 355.373 3.183 20 0 FGADHM Cc1nnc(-c2cccc(NC(=O)[N-]OCc3ccc(F)cc3)c2)n1C ZINC000363883160 499039072 /nfs/dbraw/zinc/03/90/72/499039072.db2.gz CJULBYNLEUIDAI-UHFFFAOYSA-N -1 3 355.373 3.183 20 0 FGADHM O=C(c1ccc([O-])cc1)N1CCN(c2nc(C3CCCCC3)ns2)CC1 ZINC000333625480 499044795 /nfs/dbraw/zinc/04/47/95/499044795.db2.gz AEEOJPGTDOXPKF-UHFFFAOYSA-N -1 3 372.494 3.254 20 0 FGADHM O=C(Nc1cccc2c1CN(c1ccccn1)C2)c1ccc2n[n-]nc2c1 ZINC000363983343 499075089 /nfs/dbraw/zinc/07/50/89/499075089.db2.gz LQAWWWPRMDACPG-UHFFFAOYSA-N -1 3 356.389 3.125 20 0 FGADHM CSc1ccc(C(=O)N2CCC(Oc3ncccc3F)CC2)c([O-])c1 ZINC000370090835 499178597 /nfs/dbraw/zinc/17/85/97/499178597.db2.gz IFVJNEWIZUPNGE-UHFFFAOYSA-N -1 3 362.426 3.332 20 0 FGADHM CN1C(=O)N(Cc2ccc([O-])c(Br)c2)C(=O)C12CCCCC2 ZINC000573181268 506136731 /nfs/dbraw/zinc/13/67/31/506136731.db2.gz UVZMWLUJKUMNEU-UHFFFAOYSA-N -1 3 367.243 3.252 20 0 FGADHM Cc1n[nH]c(C)c1[C@H]1COCCN1Cc1cc([O-])ccc1Br ZINC000367541860 499210385 /nfs/dbraw/zinc/21/03/85/499210385.db2.gz LBFDOOKKMGUYRO-OAHLLOKOSA-N -1 3 366.259 3.068 20 0 FGADHM Cc1onc(-c2ccccc2C)c1C(=O)N=c1cc(-c2ccncc2)[n-][nH]1 ZINC000370562765 499231831 /nfs/dbraw/zinc/23/18/31/499231831.db2.gz ZCECKUUIXYPEGC-UHFFFAOYSA-N -1 3 359.389 3.418 20 0 FGADHM COCc1ncc(C(=O)Nc2cccc(-c3nc(C)cc(=O)[n-]3)c2)s1 ZINC000370580589 499233212 /nfs/dbraw/zinc/23/32/12/499233212.db2.gz VQEGISTWWDSJFR-UHFFFAOYSA-N -1 3 356.407 3.013 20 0 FGADHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cnn(CC(C)C)c3)c2)n1 ZINC000367856321 499238493 /nfs/dbraw/zinc/23/84/93/499238493.db2.gz LEPLRUOZUYXLGL-UHFFFAOYSA-N -1 3 351.410 3.262 20 0 FGADHM CCc1cccc(NC(=O)NC2CCN(C(=O)c3cccc([O-])c3)CC2)c1 ZINC000370736044 499249815 /nfs/dbraw/zinc/24/98/15/499249815.db2.gz AEANRNUQLJGXHV-UHFFFAOYSA-N -1 3 367.449 3.381 20 0 FGADHM C[C@@H]1CCC[C@H](N(C)C(=O)NC2CCN(C(=O)c3cccc([O-])c3)CC2)C1 ZINC000370740781 499250143 /nfs/dbraw/zinc/25/01/43/499250143.db2.gz OWNOAISYGCXMFT-QAPCUYQASA-N -1 3 373.497 3.217 20 0 FGADHM CCCc1c(C(=O)N=c2[nH][n-]c(-c3ccncc3)c2C)[nH]c(C)c1C(C)=O ZINC000368223907 499275867 /nfs/dbraw/zinc/27/58/67/499275867.db2.gz RRHJOMDLRHZQIC-UHFFFAOYSA-N -1 3 365.437 3.246 20 0 FGADHM Cc1cccc(C(=O)N(C)[C@H](c2ccc(F)cc2)c2cnccn2)c1[O-] ZINC000370988998 499277879 /nfs/dbraw/zinc/27/78/79/499277879.db2.gz AINNEOZQLCRNNF-GOSISDBHSA-N -1 3 351.381 3.491 20 0 FGADHM O=c1cc(CN[C@@H]2c3ccccc3CC23CCOCC3)nc(C2CC2)[n-]1 ZINC000576362742 506140554 /nfs/dbraw/zinc/14/05/54/506140554.db2.gz LDBGCXXQQQIUPE-LJQANCHMSA-N -1 3 351.450 3.243 20 0 FGADHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)Cn3ncc4ccccc43)c2)n1 ZINC000371585211 499344752 /nfs/dbraw/zinc/34/47/52/499344752.db2.gz HMQUSXZNHVIOLP-UHFFFAOYSA-N -1 3 359.389 3.146 20 0 FGADHM CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2CN(C(=O)c3cccc([O-])c3)C[C@@H]21 ZINC000371760823 499362530 /nfs/dbraw/zinc/36/25/30/499362530.db2.gz RCJUAEBKHLBLST-BHYGNILZSA-N -1 3 360.454 3.158 20 0 FGADHM CCC(CC)c1cc(C[N-]S(=O)(=O)CCOc2ccccc2)on1 ZINC000582149278 506144776 /nfs/dbraw/zinc/14/47/76/506144776.db2.gz FCYBJCLCTAZMIB-UHFFFAOYSA-N -1 3 352.456 3.077 20 0 FGADHM Cc1cc(C(=O)NC2CCN(C(=O)c3cccc([O-])c3)CC2)sc1C ZINC000372026829 499390989 /nfs/dbraw/zinc/39/09/89/499390989.db2.gz SOKHBFRBYFTZIJ-UHFFFAOYSA-N -1 3 358.463 3.105 20 0 FGADHM O=C([O-])c1ccccc1OCCN1CCC[C@H]1c1cccc2c1OCCO2 ZINC000372210499 499409386 /nfs/dbraw/zinc/40/93/86/499409386.db2.gz LAZUWVYRWSJFHJ-KRWDZBQOSA-N -1 3 369.417 3.372 20 0 FGADHM O=C([O-])c1ccccc1OCCN1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000372210487 499409490 /nfs/dbraw/zinc/40/94/90/499409490.db2.gz KSKYLRHOFWMKMH-MRXNPFEDSA-N -1 3 355.390 3.329 20 0 FGADHM O=C(Nc1cccc([O-])c1F)[C@@H]1CCCN(c2ncnc3sccc32)C1 ZINC000372365236 499425037 /nfs/dbraw/zinc/42/50/37/499425037.db2.gz JGIOWTIAKYOEQJ-LLVKDONJSA-N -1 3 372.425 3.391 20 0 FGADHM CSc1ccc(C(=O)N(C)C2CCN(c3ccccn3)CC2)c([O-])c1 ZINC000373071747 499449992 /nfs/dbraw/zinc/44/99/92/499449992.db2.gz USNKQMJLIRWECQ-UHFFFAOYSA-N -1 3 357.479 3.250 20 0 FGADHM CCCc1c(NC(=O)c2ccc3n[n-]nc3c2)cnn1-c1cc(C)ccn1 ZINC000373410671 499468093 /nfs/dbraw/zinc/46/80/93/499468093.db2.gz ACKBHDQQNURJAJ-UHFFFAOYSA-N -1 3 361.409 3.052 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2F)c1-c1ccncc1 ZINC000373417913 499468601 /nfs/dbraw/zinc/46/86/01/499468601.db2.gz OHDIJUVABCDHDL-CABCVRRESA-N -1 3 354.360 3.222 20 0 FGADHM O=C(N=c1cc(-c2ccc3ncccc3c2)o[n-]1)c1ccc2nccn2c1 ZINC000373430156 499469339 /nfs/dbraw/zinc/46/93/39/499469339.db2.gz ZMOJLEMSZCVLFC-UHFFFAOYSA-N -1 3 355.357 3.212 20 0 FGADHM CC(C)n1ncc2c1C[C@@H](NC(=O)c1cc([O-])ccc1C(F)(F)F)CC2 ZINC000373495147 499473201 /nfs/dbraw/zinc/47/32/01/499473201.db2.gz DPUPEXRHPALILU-LBPRGKRZSA-N -1 3 367.371 3.476 20 0 FGADHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000576410468 506151344 /nfs/dbraw/zinc/15/13/44/506151344.db2.gz LKVIFBJYLZLHFV-GFCCVEGCSA-N -1 3 355.360 3.254 20 0 FGADHM CCOC(=O)c1csc(=N[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)[n-]1 ZINC000379606043 499542105 /nfs/dbraw/zinc/54/21/05/499542105.db2.gz BGQNNERWJGTTLF-HOCLYGCPSA-N -1 3 359.495 3.207 20 0 FGADHM C[C@H]1C[C@@H](N=c2[n-]c(C(F)(F)F)ns2)CCN1Cc1ccccc1 ZINC000379661537 499542836 /nfs/dbraw/zinc/54/28/36/499542836.db2.gz FXBDMZZVVUFXIS-AAEUAGOBSA-N -1 3 356.417 3.444 20 0 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NEUXGKVVBOGZOQ-OAHLLOKOSA-N -1 3 356.417 3.445 20 0 FGADHM O=C(c1c[n-]c2ccccc2c1=O)N1CCC(F)(c2cccnc2)CC1 ZINC000375911050 499567860 /nfs/dbraw/zinc/56/78/60/499567860.db2.gz XOHMMWRSPWJGDL-UHFFFAOYSA-N -1 3 351.381 3.024 20 0 FGADHM COC(=O)c1csc(S(=O)(=O)[N-]Cc2ccc3ccccc3c2)c1 ZINC000409467298 499599066 /nfs/dbraw/zinc/59/90/66/499599066.db2.gz YXLWKOWGUAGMRG-UHFFFAOYSA-N -1 3 361.444 3.166 20 0 FGADHM Cc1noc([C@@H](NC(=O)c2cc([O-])c3ccccc3c2)C2CCOCC2)n1 ZINC000376312560 499599666 /nfs/dbraw/zinc/59/96/66/499599666.db2.gz VFNVJTDOYITSLP-SFHVURJKSA-N -1 3 367.405 3.135 20 0 FGADHM C[C@H]([N-]S(=O)(=O)CCCCF)c1nc(-c2ccc(Cl)cc2)no1 ZINC000376319726 499599968 /nfs/dbraw/zinc/59/99/68/499599968.db2.gz FKRQKEBCVGZVQI-JTQLQIEISA-N -1 3 361.826 3.120 20 0 FGADHM C[C@H](CS(=O)(=O)[N-]c1cccc2c1ccn(C)c2=O)c1ccccc1 ZINC000409478600 499600105 /nfs/dbraw/zinc/60/01/05/499600105.db2.gz GDVRFAVVENKKLV-CQSZACIVSA-N -1 3 356.447 3.084 20 0 FGADHM O=c1nc(CN2CC[C@](O)(C3CC3)C2)[n-]c2sc(-c3ccccc3)cc21 ZINC000376467209 499610671 /nfs/dbraw/zinc/61/06/71/499610671.db2.gz CWHAAIABQYVJMH-HXUWFJFHSA-N -1 3 367.474 3.411 20 0 FGADHM Cn1c2ccccc2nc1[C@@H]1CCCCN1S(=O)(=O)c1ccc([O-])cc1 ZINC000579346296 506152136 /nfs/dbraw/zinc/15/21/36/506152136.db2.gz NALGKTAYUVNZRK-SFHVURJKSA-N -1 3 371.462 3.195 20 0 FGADHM CCOC(=O)CC(C)(C)CC(=O)Nc1cccc(-c2nc(C)cc(=O)[n-]2)c1 ZINC000376601765 499622064 /nfs/dbraw/zinc/62/20/64/499622064.db2.gz HYEMUFRIGJYOGX-UHFFFAOYSA-N -1 3 371.437 3.466 20 0 FGADHM CC[C@H]1CC[C@@H](C)N(C(=O)NC2CCN(C(=O)c3cccc([O-])c3)CC2)C1 ZINC000376626749 499624144 /nfs/dbraw/zinc/62/41/44/499624144.db2.gz IBRSNMFUPXENIT-CVEARBPZSA-N -1 3 373.497 3.217 20 0 FGADHM O=C([O-])[C@H]1[C@H]2CCCN2CCN1C(=O)N(c1ccccc1)c1ccccc1 ZINC000376639582 499625291 /nfs/dbraw/zinc/62/52/91/499625291.db2.gz CODLTJQCVWFEGI-RTBURBONSA-N -1 3 365.433 3.178 20 0 FGADHM Cn1cc2c(n1)CCC[C@@H]2C(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000409965445 499632818 /nfs/dbraw/zinc/63/28/18/499632818.db2.gz IQMHIOIZXVASAJ-JTQLQIEISA-N -1 3 355.316 3.083 20 0 FGADHM CC[C@@H]1C[C@@]1(NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)c1cccc(C)c1 ZINC000410036775 499637534 /nfs/dbraw/zinc/63/75/34/499637534.db2.gz GBNHCLVLQXLPGF-ASSNKEHSSA-N -1 3 363.417 3.326 20 0 FGADHM O=S(=O)([N-][C@@H](c1ccc(Cl)cc1)[C@@H]1CCOC1)c1cccs1 ZINC000376873344 499642667 /nfs/dbraw/zinc/64/26/67/499642667.db2.gz CWWDLAULLOFQAN-DOMZBBRYSA-N -1 3 357.884 3.458 20 0 FGADHM CCCCOc1ccc(C(=O)N2CCC[C@H]2[C@H]2CCCN2C(C)=O)c([O-])c1 ZINC000377002349 499653289 /nfs/dbraw/zinc/65/32/89/499653289.db2.gz VGWNDRZLLGOECA-MOPGFXCFSA-N -1 3 374.481 3.187 20 0 FGADHM Cc1cccc2oc(CC[N-]S(=O)(=O)c3cc(F)c(C)cc3F)nc21 ZINC000410320121 499654835 /nfs/dbraw/zinc/65/48/35/499654835.db2.gz ZLZCNHKTZWYSNF-UHFFFAOYSA-N -1 3 366.389 3.244 20 0 FGADHM NC(=O)c1cccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2F)c1 ZINC000410419568 499661766 /nfs/dbraw/zinc/66/17/66/499661766.db2.gz DTFZJHGIUSQGAZ-UHFFFAOYSA-N -1 3 363.197 3.032 20 0 FGADHM Cc1cc(C=C2CCN(Cc3cc(=O)oc4cc([O-])ccc34)CC2)no1 ZINC000377145806 499665964 /nfs/dbraw/zinc/66/59/64/499665964.db2.gz ZXSFQIRWKSIHOI-UHFFFAOYSA-N -1 3 352.390 3.474 20 0 FGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)Cc1cc(F)c(C)cc1F ZINC000410619479 499670854 /nfs/dbraw/zinc/67/08/54/499670854.db2.gz CGXWQNSECOZICK-UHFFFAOYSA-N -1 3 352.337 3.182 20 0 FGADHM Cc1nc(C(=O)[N-]c2ccncc2C(=O)C(C)C)c(Br)s1 ZINC000410722567 499675767 /nfs/dbraw/zinc/67/57/67/499675767.db2.gz BTXWXWWNOYRLAU-UHFFFAOYSA-N -1 3 368.256 3.122 20 0 FGADHM CCCCc1nc(C(=O)OCC)c(NC(=O)c2oc(CCC)nc2C)[n-]1 ZINC000410754487 499676725 /nfs/dbraw/zinc/67/67/25/499676725.db2.gz OBXVDLWFUTVXSQ-UHFFFAOYSA-N -1 3 362.430 3.430 20 0 FGADHM CCCCc1nc(NC(=O)c2oc(CCC)nc2C)c(C(=O)OCC)[n-]1 ZINC000410754487 499676727 /nfs/dbraw/zinc/67/67/27/499676727.db2.gz OBXVDLWFUTVXSQ-UHFFFAOYSA-N -1 3 362.430 3.430 20 0 FGADHM C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)c1s[n-]c(=O)c1Cl ZINC000579356189 506154774 /nfs/dbraw/zinc/15/47/74/506154774.db2.gz 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ZINC000411398514 499734645 /nfs/dbraw/zinc/73/46/45/499734645.db2.gz OWXQLSCCROGBQK-UHFFFAOYSA-N -1 3 353.418 3.073 20 0 FGADHM CC[C@H](C)[C@H](C)N(C(=O)C(=O)[N-]c1nccn1-c1ccccc1)C1CC1 ZINC000411401543 499735043 /nfs/dbraw/zinc/73/50/43/499735043.db2.gz MYWIRHFUDVFGIB-GJZGRUSLSA-N -1 3 354.454 3.236 20 0 FGADHM C[C@H](CCNC(=O)C(=O)[N-]c1nccn1-c1ccccc1)CC(C)(C)C ZINC000411451844 499742215 /nfs/dbraw/zinc/74/22/15/499742215.db2.gz VPOUPHIRKUIPJE-OAHLLOKOSA-N -1 3 356.470 3.389 20 0 FGADHM CC(=O)c1ccc(C(=O)Nc2ccccc2N2C[C@@H](C)O[C@@H](C)C2)cc1[O-] ZINC000411512628 499749603 /nfs/dbraw/zinc/74/96/03/499749603.db2.gz MKAOTEDHXCGVRX-OKILXGFUSA-N -1 3 368.433 3.461 20 0 FGADHM CC(C)[C@@]1(CO)CCN(C(=O)c2cc(OCc3ccccc3)ccc2[O-])C1 ZINC000378013672 499754891 /nfs/dbraw/zinc/75/48/91/499754891.db2.gz BSMPFMBLSNYOGW-QFIPXVFZSA-N -1 3 369.461 3.452 20 0 FGADHM Cc1cc(OC[C@@H](O)CNc2nc[n-]c(=O)c2C)c(C(C)C)cc1Cl ZINC000414132912 499763230 /nfs/dbraw/zinc/76/32/30/499763230.db2.gz 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3.020 20 0 FGADHM CCOCCOc1cc(C)ccc1CNC(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000412168624 499829897 /nfs/dbraw/zinc/82/98/97/499829897.db2.gz JEEVTXHTVXBKHD-UHFFFAOYSA-N -1 3 371.433 3.249 20 0 FGADHM COc1ccc2c(c1)[n-]cc(C(=O)N1CC[C@@H](C(F)(F)F)C1(C)C)c2=O ZINC000412285062 499841151 /nfs/dbraw/zinc/84/11/51/499841151.db2.gz TUNGHVCQFXGHMZ-CQSZACIVSA-N -1 3 368.355 3.340 20 0 FGADHM CC(=O)c1ccc(C(=O)N2CCC(C(=O)c3ccc(F)cc3)CC2)cc1[O-] ZINC000412313497 499844021 /nfs/dbraw/zinc/84/40/21/499844021.db2.gz VVZWRNIOSSSDQO-UHFFFAOYSA-N -1 3 369.392 3.469 20 0 FGADHM O=C(CSCc1cc(=O)[n-]c(C2CC2)n1)Nc1ccc2c(c1)CCC2 ZINC000576450940 506161640 /nfs/dbraw/zinc/16/16/40/506161640.db2.gz YWSWGUJCFOVIBX-UHFFFAOYSA-N -1 3 355.463 3.420 20 0 FGADHM O=C(Cc1ccc([O-])c(F)c1)N1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000582222847 506161945 /nfs/dbraw/zinc/16/19/45/506161945.db2.gz JIYOIMAMAAINQH-HNNXBMFYSA-N -1 3 359.401 3.478 20 0 FGADHM CC(C)(C)c1n[n-]c(=NC(=O)N[C@H](CN)c2ccc3ccccc3c2)s1 ZINC000414975462 499850698 /nfs/dbraw/zinc/85/06/98/499850698.db2.gz ONTKOUIBOKRJSI-OAHLLOKOSA-N -1 3 369.494 3.232 20 0 FGADHM COc1ccc2c(c1)[n-]cc(C(=O)N1CC3(CCC3)[C@H]1c1ccco1)c2=O ZINC000412398704 499851740 /nfs/dbraw/zinc/85/17/40/499851740.db2.gz YEEWZWGREHZMTM-LJQANCHMSA-N -1 3 364.401 3.497 20 0 FGADHM CCN=c1[n-]c(C(=O)N(CCOC)Cc2ccc(F)c(Cl)c2)cs1 ZINC000412408635 499852377 /nfs/dbraw/zinc/85/23/77/499852377.db2.gz KXWADWCUIVGSCO-UHFFFAOYSA-N -1 3 371.865 3.078 20 0 FGADHM CC(C)(C)[C@H]1CCC[C@@H]1NC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000412807642 499886643 /nfs/dbraw/zinc/88/66/43/499886643.db2.gz GEUXQJIFLJKOAS-JSGCOSHPSA-N -1 3 356.463 3.142 20 0 FGADHM C[S@@](=O)Cc1ccc(Cl)c(NCc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000417029831 499952278 /nfs/dbraw/zinc/95/22/78/499952278.db2.gz OFKIXRRFDSUGHZ-HSZRJFAPSA-N -1 3 351.859 3.204 20 0 FGADHM Cn1[n-]c(=NC(=O)N2CC[C@H](c3ccccc3)C2(C)C)cc1OC(F)F ZINC000421102245 499955555 /nfs/dbraw/zinc/95/55/55/499955555.db2.gz SUFFGCNJNRYPPG-CYBMUJFWSA-N -1 3 364.396 3.243 20 0 FGADHM CC[C@H](C)Sc1ccc(NC(=O)c2[nH]c(=O)[n-]c(=O)c2OC)c(C)c1 ZINC000416142320 499956414 /nfs/dbraw/zinc/95/64/14/499956414.db2.gz GLVRWRFGACFOCI-JTQLQIEISA-N -1 3 363.439 3.348 20 0 FGADHM CC[C@@H](CS(=O)(=O)[N-]c1cccc(COCc2ccco2)c1)OC ZINC000421149454 499972612 /nfs/dbraw/zinc/97/26/12/499972612.db2.gz GDDBXGBOZFYZQI-INIZCTEOSA-N -1 3 353.440 3.163 20 0 FGADHM CO[C@@H](Cc1ccccc1)CS(=O)(=O)[N-]c1c(F)cc(F)cc1F ZINC000421158912 499975945 /nfs/dbraw/zinc/97/59/45/499975945.db2.gz SPISBOYQIODWCF-ZDUSSCGKSA-N -1 3 359.369 3.103 20 0 FGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)[C@@H]2C[C@]2(F)c2ccccc2)c1 ZINC000413513874 499977287 /nfs/dbraw/zinc/97/72/87/499977287.db2.gz JBDUSMXARRVZLU-KSSFIOAISA-N -1 3 362.426 3.190 20 0 FGADHM CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1ccc(C(F)(F)F)nc1C ZINC000421167565 499980353 /nfs/dbraw/zinc/98/03/53/499980353.db2.gz UNTITJLBXIFOAS-LLVKDONJSA-N -1 3 354.394 3.212 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N(C)C2CC(C)(C)C2)c1 ZINC000576479899 506168469 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CC(C)[C@@H]1C[C@@H](CC(=O)Nc2nc(SCCO)n[n-]2)c2ccccc21 ZINC000429269957 500038717 /nfs/dbraw/zinc/03/87/17/500038717.db2.gz WMCDHUSENUKTRP-WFASDCNBSA-N -1 3 360.483 3.145 20 0 FGADHM CC(C)[C@@H]1C[C@@H](CC(=O)Nc2n[n-]c(SCCO)n2)c2ccccc21 ZINC000429269957 500038720 /nfs/dbraw/zinc/03/87/20/500038720.db2.gz WMCDHUSENUKTRP-WFASDCNBSA-N -1 3 360.483 3.145 20 0 FGADHM O=c1nc(Cc2ccc(OCCO)cc2)[n-]c2sc(C(F)(F)F)cc21 ZINC000416413954 500039904 /nfs/dbraw/zinc/03/99/04/500039904.db2.gz QLKNIAKTRMPMRC-UHFFFAOYSA-N -1 3 370.352 3.378 20 0 FGADHM CC[C@H](C)c1nc([C@H](C)[N-]S(=O)(=O)c2c(C)cccc2Cl)n[nH]1 ZINC000416471335 500049030 /nfs/dbraw/zinc/04/90/30/500049030.db2.gz PLGGRJOLYVXOET-ONGXEEELSA-N -1 3 356.879 3.320 20 0 FGADHM CC1(C)C[C@H](C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2F)CCO1 ZINC000416501400 500053027 /nfs/dbraw/zinc/05/30/27/500053027.db2.gz HORYDFCQWFWVBO-SNVBAGLBSA-N -1 3 369.380 3.328 20 0 FGADHM CC1(C)C[C@@H](C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2F)CCO1 ZINC000416501395 500053305 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Cc1o[n-]c(=NC(=O)c2nn(-c3cccc(Cl)c3F)c3c2CCC3)c1C ZINC000425310002 500071587 /nfs/dbraw/zinc/07/15/87/500071587.db2.gz GZBDCPFRFDANAK-UHFFFAOYSA-N -1 3 374.803 3.433 20 0 FGADHM CO[C@@](C)([C@H](C)[N-]S(=O)(=O)c1ccccc1C(F)(F)F)C1CC1 ZINC000416607045 500072016 /nfs/dbraw/zinc/07/20/16/500072016.db2.gz YHTJRDPJDYNDFX-HZMBPMFUSA-N -1 3 351.390 3.187 20 0 FGADHM COc1ccc(S(=O)(=O)[N-][C@@H](C)C2(OC)CCC2)c(Cl)c1Cl ZINC000416612992 500073216 /nfs/dbraw/zinc/07/32/16/500073216.db2.gz DYQAKMWMVJHFGX-VIFPVBQESA-N -1 3 368.282 3.238 20 0 FGADHM C[C@H]1CCCN(C(=O)c2c[n-]c3ccccc3c2=O)[C@H]1C(=O)OC(C)(C)C ZINC000425329097 500075797 /nfs/dbraw/zinc/07/57/97/500075797.db2.gz VACKRXQZABQQQK-SUMWQHHRSA-N -1 3 370.449 3.111 20 0 FGADHM Cc1cc(C)c2[n-]cc(C(=O)N3C[C@H](O)C[C@H]3c3ccccc3)c(=O)c2c1 ZINC000425333532 500077838 /nfs/dbraw/zinc/07/78/38/500077838.db2.gz WKZSQYMBWUSKPA-APWZRJJASA-N -1 3 362.429 3.093 20 0 FGADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccco2)s1 ZINC000416668930 500081428 /nfs/dbraw/zinc/08/14/28/500081428.db2.gz WYCGQRSBAMPLEV-PSASIEDQSA-N -1 3 362.270 3.246 20 0 FGADHM CS[C@@H](C)C[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000429825369 500151287 /nfs/dbraw/zinc/15/12/87/500151287.db2.gz DECQWENWEAPCBG-ZETCQYMHSA-N -1 3 358.710 3.132 20 0 FGADHM COc1cccc(OC)c1CNC[C@@H](Cc1ccc(Cl)cc1)C(=O)[O-] ZINC000417534630 500099367 /nfs/dbraw/zinc/09/93/67/500099367.db2.gz AGDIYFRCVYLFPX-CQSZACIVSA-N -1 3 363.841 3.390 20 0 FGADHM COc1cc(F)cc(CN[C@H](CSCCc2ccccc2)C(=O)[O-])c1 ZINC000417572238 500112538 /nfs/dbraw/zinc/11/25/38/500112538.db2.gz YMPIFNVXWKHYQU-GOSISDBHSA-N -1 3 363.454 3.353 20 0 FGADHM C[C@]1(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Br)CC=CCC1 ZINC000421678991 500113750 /nfs/dbraw/zinc/11/37/50/500113750.db2.gz GILSPGBZWUAFLG-LBPRGKRZSA-N -1 3 366.181 3.315 20 0 FGADHM Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)N=c2cc(OC(F)F)n(C)[n-]2)C1 ZINC000429634229 500115483 /nfs/dbraw/zinc/11/54/83/500115483.db2.gz KGPXTDXWJCGGLN-CHWSQXEVSA-N -1 3 364.396 3.162 20 0 FGADHM CCOc1c(Cl)cc(CN[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)cc1OC ZINC000417583415 500116336 /nfs/dbraw/zinc/11/63/36/500116336.db2.gz KKSGORIUEVVSDJ-ABAIWWIYSA-N -1 3 373.877 3.494 20 0 FGADHM CCOc1c(CNCCc2ccc(C(=O)[O-])cc2)c(C)nn1CC(C)C ZINC000417583015 500116680 /nfs/dbraw/zinc/11/66/80/500116680.db2.gz JKOSSOABANDDCP-UHFFFAOYSA-N -1 3 359.470 3.277 20 0 FGADHM Cn1[n-]c(=NC(=O)N2CCC[C@H]2c2ccc(Cl)cc2)cc1OC(F)F ZINC000429644660 500117381 /nfs/dbraw/zinc/11/73/81/500117381.db2.gz OFEKMUMBOHFBRK-LBPRGKRZSA-N -1 3 370.787 3.466 20 0 FGADHM CCCSC[C@@H](NCc1cccc(Br)c1F)C(=O)[O-] ZINC000417584221 500117586 /nfs/dbraw/zinc/11/75/86/500117586.db2.gz NAQUVDULVPKVGG-LLVKDONJSA-N -1 3 350.253 3.274 20 0 FGADHM Cc1ccc([C@@H](C)N(C)C(=O)N=c2cc(OC(F)F)n(C)[n-]2)c(C)c1 ZINC000429643937 500117813 /nfs/dbraw/zinc/11/78/13/500117813.db2.gz GCXGELZZLKEFGP-GFCCVEGCSA-N -1 3 352.385 3.285 20 0 FGADHM CC(C)[C@H](NC(=O)Cc1ccc(Br)cc1[O-])C(F)(F)F ZINC000413992039 500118571 /nfs/dbraw/zinc/11/85/71/500118571.db2.gz WZQADLFCGNEQCD-LBPRGKRZSA-N -1 3 354.166 3.400 20 0 FGADHM O=C([O-])[C@@H](CCSc1ccccc1)NCc1cccc2c1OCCO2 ZINC000417627312 500129024 /nfs/dbraw/zinc/12/90/24/500129024.db2.gz UPHPDAQAJPJOEX-MRXNPFEDSA-N -1 3 359.447 3.183 20 0 FGADHM COc1ccc(CNC[C@H](CC(=O)[O-])C(F)(F)F)c(Br)c1 ZINC000417630405 500130170 /nfs/dbraw/zinc/13/01/70/500130170.db2.gz QWFAUFLQUWMMJK-VIFPVBQESA-N -1 3 370.165 3.201 20 0 FGADHM CC(C)(C)OC(=O)c1cccc(CNC[C@H](CC(=O)[O-])C(F)(F)F)c1 ZINC000417637864 500132996 /nfs/dbraw/zinc/13/29/96/500132996.db2.gz ZLMPICDNZCFXQQ-ZDUSSCGKSA-N -1 3 361.360 3.385 20 0 FGADHM C[C@@H]1[C@@H](CO)CCCN1C(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000414040293 500134593 /nfs/dbraw/zinc/13/45/93/500134593.db2.gz QTOJPPYEKFKSKU-NVXWUHKLSA-N -1 3 355.434 3.204 20 0 FGADHM O=C([O-])[C@@H](CNCc1ccccc1OCC(F)(F)F)Oc1ccccc1 ZINC000417642102 500135144 /nfs/dbraw/zinc/13/51/44/500135144.db2.gz TYFFRHRTAXHSGU-MRXNPFEDSA-N -1 3 369.339 3.250 20 0 FGADHM C[C@@H]([C@@H](NCc1cn(-c2ccc(Cl)cc2Cl)nn1)C(=O)[O-])C1CC1 ZINC000417642606 500135374 /nfs/dbraw/zinc/13/53/74/500135374.db2.gz WDSWURCFXIZPBI-RFAUZJTJSA-N -1 3 369.252 3.163 20 0 FGADHM CCOC[C@@H](NCc1cn(-c2ccccc2)nc1-c1ccc(C)o1)C(=O)[O-] ZINC000417645298 500135904 /nfs/dbraw/zinc/13/59/04/500135904.db2.gz CWMYADDXJBNBRE-QGZVFWFLSA-N -1 3 369.421 3.020 20 0 FGADHM COc1cccc(C[C@@H](CNCc2csc(C(C)(C)C)n2)C(=O)[O-])c1 ZINC000417649413 500137569 /nfs/dbraw/zinc/13/75/69/500137569.db2.gz LKCFMYZIDXHWCO-AWEZNQCLSA-N -1 3 362.495 3.482 20 0 FGADHM COc1cc(OC)c(OC)cc1CN[C@H](Cc1ccc(C)c(C)c1)C(=O)[O-] ZINC000417652736 500139065 /nfs/dbraw/zinc/13/90/65/500139065.db2.gz PGNATTGOBPHSMP-QGZVFWFLSA-N -1 3 373.449 3.115 20 0 FGADHM CN(Cc1ccc(OCC(=O)[O-])cc1)Cc1cccc(OC(F)F)c1 ZINC000576524085 506178294 /nfs/dbraw/zinc/17/82/94/506178294.db2.gz WUVONJUNTWYZSL-UHFFFAOYSA-N -1 3 351.349 3.383 20 0 FGADHM C/C=C/C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Cl)C(=O)OCC ZINC000429877461 500160877 /nfs/dbraw/zinc/16/08/77/500160877.db2.gz OLMUIJCMLQBLMG-PYEVWLCESA-N -1 3 366.266 3.170 20 0 FGADHM O=S(=O)(Cc1cccc(F)c1)[N-]Cc1c(F)cc(F)c(F)c1F ZINC000429901312 500163946 /nfs/dbraw/zinc/16/39/46/500163946.db2.gz JAEAGWIPMUACQB-UHFFFAOYSA-N -1 3 351.296 3.002 20 0 FGADHM C[C@@H]1CCCC[C@H]1C(=O)N=c1[n-]n(CC(F)(F)F)cc1Br ZINC000425629021 500164195 /nfs/dbraw/zinc/16/41/95/500164195.db2.gz YCHKJEFIGRQNFB-RKDXNWHRSA-N -1 3 368.197 3.395 20 0 FGADHM O=S(=O)([N-]CCCOc1ccc(Cl)cc1Cl)c1ccccn1 ZINC000576534042 506180519 /nfs/dbraw/zinc/18/05/19/506180519.db2.gz YTDJZMRASYJOSO-UHFFFAOYSA-N -1 3 361.250 3.136 20 0 FGADHM CC(C)Cc1ccc([C@H](C)C(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000429975664 500176106 /nfs/dbraw/zinc/17/61/06/500176106.db2.gz PMCNVZFJJSUGMM-HNNXBMFYSA-N -1 3 363.465 3.485 20 0 FGADHM CC(C)Cc1ccc([C@H](C)C(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000429975664 500176110 /nfs/dbraw/zinc/17/61/10/500176110.db2.gz PMCNVZFJJSUGMM-HNNXBMFYSA-N -1 3 363.465 3.485 20 0 FGADHM CC(C)N1Cc2cccc([N-]S(=O)(=O)c3ccc(CN(C)C)cc3)c2C1 ZINC000430066961 500187878 /nfs/dbraw/zinc/18/78/78/500187878.db2.gz SCQNONWPWBMUOD-UHFFFAOYSA-N -1 3 373.522 3.273 20 0 FGADHM COc1ccc2c(c1)C[C@@H](C(C)C)CN2C(=O)c1ccc2n[n-]nc2c1 ZINC000422039838 500203933 /nfs/dbraw/zinc/20/39/33/500203933.db2.gz RRQKWSIUUQLMJJ-OAHLLOKOSA-N -1 3 350.422 3.442 20 0 FGADHM COc1ccc2c(c1)OC(C)(C)CN(C(=O)Cc1ccc([O-])c(F)c1)C2 ZINC000422055533 500206915 /nfs/dbraw/zinc/20/69/15/500206915.db2.gz ZXVWTOPCNGDPDA-UHFFFAOYSA-N -1 3 359.397 3.282 20 0 FGADHM CCc1cc(=O)[n-]c(CN(Cc2cnn(C)c2)Cc2ccc(Cl)cc2)n1 ZINC000430274810 500219890 /nfs/dbraw/zinc/21/98/90/500219890.db2.gz RVSQWQSOQPVNNU-UHFFFAOYSA-N -1 3 371.872 3.334 20 0 FGADHM Cc1ccc([C@H]2C[C@H](C)N(C(=O)NCc3nnc(C(F)(F)F)[n-]3)C2)cc1 ZINC000426182105 500244307 /nfs/dbraw/zinc/24/43/07/500244307.db2.gz GGHQRADUGPKTFA-AAEUAGOBSA-N -1 3 367.375 3.220 20 0 FGADHM Cc1ccc([C@H]2C[C@H](C)N(C(=O)NCc3n[n-]c(C(F)(F)F)n3)C2)cc1 ZINC000426182105 500244311 /nfs/dbraw/zinc/24/43/11/500244311.db2.gz GGHQRADUGPKTFA-AAEUAGOBSA-N -1 3 367.375 3.220 20 0 FGADHM Cc1ccc([C@H]2C[C@H](C)N(C(=O)NCc3nc(C(F)(F)F)n[n-]3)C2)cc1 ZINC000426182105 500244312 /nfs/dbraw/zinc/24/43/12/500244312.db2.gz GGHQRADUGPKTFA-AAEUAGOBSA-N -1 3 367.375 3.220 20 0 FGADHM Cc1ccc(-c2cc(-c3nc(-c4cn(C)nc4C(F)(F)F)no3)n[n-]2)o1 ZINC000426248716 500253299 /nfs/dbraw/zinc/25/32/99/500253299.db2.gz NEBPWDHNMZVMKF-UHFFFAOYSA-N -1 3 364.287 3.447 20 0 FGADHM Cc1ccc(-c2cc(-c3nc(-c4cn(C)nc4C(F)(F)F)no3)[n-]n2)o1 ZINC000426248716 500253301 /nfs/dbraw/zinc/25/33/01/500253301.db2.gz NEBPWDHNMZVMKF-UHFFFAOYSA-N -1 3 364.287 3.447 20 0 FGADHM C[C@]1(NC(=O)c2c[n-]c3ccc(Oc4ccccc4)cc3c2=O)CCOC1 ZINC000430582842 500258619 /nfs/dbraw/zinc/25/86/19/500258619.db2.gz LDEVMEDVZRLHEF-NRFANRHFSA-N -1 3 364.401 3.229 20 0 FGADHM C[C@H](CN(C)CC(=O)N(C)[C@@H](c1ccccc1)c1ccc(F)cc1)C(=O)[O-] ZINC000422598652 500280370 /nfs/dbraw/zinc/28/03/70/500280370.db2.gz XBUCBGKEGPFDAZ-QRWLVFNGSA-N -1 3 372.440 3.026 20 0 FGADHM COc1ccccc1C[C@H](CNCc1coc(-c2ccccc2)n1)C(=O)[O-] ZINC000426627964 500296753 /nfs/dbraw/zinc/29/67/53/500296753.db2.gz JDYHCLPKRHVHNG-QGZVFWFLSA-N -1 3 366.417 3.383 20 0 FGADHM C[C@@H](NC(=O)CNC(=O)c1cccc([O-])c1)c1ccccc1C(F)(F)F ZINC000426639783 500299013 /nfs/dbraw/zinc/29/90/13/500299013.db2.gz OXMBVCKUUWGYLL-LLVKDONJSA-N -1 3 366.339 3.018 20 0 FGADHM CC1(C)Cc2cccc(CNC[C@@H](Oc3ccc(F)cc3)C(=O)[O-])c2O1 ZINC000426639226 500299145 /nfs/dbraw/zinc/29/91/45/500299145.db2.gz MEXMVBFPTBRPHN-QGZVFWFLSA-N -1 3 359.397 3.161 20 0 FGADHM O=C([O-])[C@H](CNCc1cccc(Br)c1)Oc1ccc(F)cc1 ZINC000426655430 500302057 /nfs/dbraw/zinc/30/20/57/500302057.db2.gz RZSGAWCDEXCVCG-HNNXBMFYSA-N -1 3 368.202 3.210 20 0 FGADHM O=C([O-])[C@H](CNCc1cccc(C(F)(F)F)c1)Oc1ccc(F)cc1 ZINC000426654634 500302070 /nfs/dbraw/zinc/30/20/70/500302070.db2.gz NFNHHWUSYQPQCB-HNNXBMFYSA-N -1 3 357.303 3.466 20 0 FGADHM COc1ccc(CN(CCO)[C@H]2CC[C@H](C)C2)c(Br)c1[O-] ZINC000582332366 506188399 /nfs/dbraw/zinc/18/83/99/506188399.db2.gz IWBJCOFCYFICTI-AAEUAGOBSA-N -1 3 358.276 3.146 20 0 FGADHM COc1ccc(CN[C@H](CSCCc2ccccc2)C(=O)[O-])cc1F ZINC000426727960 500311524 /nfs/dbraw/zinc/31/15/24/500311524.db2.gz RRRBUBJGXUPBQS-QGZVFWFLSA-N -1 3 363.454 3.353 20 0 FGADHM O=C([O-])[C@H](Cc1ccc2c(c1)OCCCO2)NCc1ccsc1Cl ZINC000426729261 500312441 /nfs/dbraw/zinc/31/24/41/500312441.db2.gz BGLWDSVHHVOCIW-ZDUSSCGKSA-N -1 3 367.854 3.348 20 0 FGADHM COc1cc(CN[C@@H](C(=O)[O-])c2cc(C)cc(C)c2)cc(OC)c1OC ZINC000426752127 500315687 /nfs/dbraw/zinc/31/56/87/500315687.db2.gz ZYCYOAFZCHISND-GOSISDBHSA-N -1 3 359.422 3.245 20 0 FGADHM COc1ccc([C@H](CCC(=O)[O-])NCc2ccc(OC)c(OC)c2)cc1 ZINC000426756684 500316464 /nfs/dbraw/zinc/31/64/64/500316464.db2.gz LXDSQNAZXWNIMY-KRWDZBQOSA-N -1 3 359.422 3.408 20 0 FGADHM COc1cccc(CN[C@@H](C(=O)[O-])c2ccc(Br)cc2)c1 ZINC000426809425 500323333 /nfs/dbraw/zinc/32/33/33/500323333.db2.gz VEQBJBRZOGSVPS-OAHLLOKOSA-N -1 3 350.212 3.373 20 0 FGADHM Cn1c2cc(F)ccc2nc1N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000431025202 500325443 /nfs/dbraw/zinc/32/54/43/500325443.db2.gz ROKNOVFAKZFDGF-UHFFFAOYSA-N -1 3 368.412 3.273 20 0 FGADHM CC(C)(C)C[C@H](NCc1cn(-c2ccc(F)c(Cl)c2)nn1)C(=O)[O-] ZINC000426829889 500326703 /nfs/dbraw/zinc/32/67/03/500326703.db2.gz SOMQHRSBVDTFCG-AWEZNQCLSA-N -1 3 354.813 3.039 20 0 FGADHM O=C(Nc1ccc(OCC(F)(F)F)c(C(F)(F)F)c1)c1nc[n-]n1 ZINC000426933650 500337657 /nfs/dbraw/zinc/33/76/57/500337657.db2.gz UIUNXUVLPOZXRS-UHFFFAOYSA-N -1 3 354.210 3.017 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](c2ccco2)c2ccccc2)c1 ZINC000426990326 500341997 /nfs/dbraw/zinc/34/19/97/500341997.db2.gz LUADZVCOHHQKIO-IBGZPJMESA-N -1 3 350.374 3.463 20 0 FGADHM COc1ccc([C@@H](N[C@H](C)C(=O)[N-]c2cc(C)no2)c2ccco2)cc1 ZINC000419277855 500348068 /nfs/dbraw/zinc/34/80/68/500348068.db2.gz GVOPIYAUQZDJQE-FZKQIMNGSA-N -1 3 355.394 3.291 20 0 FGADHM CCOc1cc(C(=O)NCC2(SC)CCN(C)CC2)cc(Cl)c1[O-] ZINC000427141664 500358516 /nfs/dbraw/zinc/35/85/16/500358516.db2.gz FFQCTYHEJBEBBH-UHFFFAOYSA-N -1 3 372.918 3.002 20 0 FGADHM COC(=O)c1cc(C(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)c[n-]1 ZINC000431336374 500365248 /nfs/dbraw/zinc/36/52/48/500365248.db2.gz CXMKLNWQFLNECZ-UHFFFAOYSA-N -1 3 369.421 3.070 20 0 FGADHM COC(=O)CC1([N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)CCC1 ZINC000427238770 500371943 /nfs/dbraw/zinc/37/19/43/500371943.db2.gz KZZKZKCNJWGMBF-UHFFFAOYSA-N -1 3 366.266 3.066 20 0 FGADHM Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)CNC(=O)c2cccc([O-])c2)cc1 ZINC000427255034 500374142 /nfs/dbraw/zinc/37/41/42/500374142.db2.gz DDPCFJJHBIVNQI-PMACEKPBSA-N -1 3 366.461 3.225 20 0 FGADHM Cc1ccccc1CNC(=O)[C@H](C)SCc1cc(=O)[n-]c(C2CC2)n1 ZINC000419600210 500383329 /nfs/dbraw/zinc/38/33/29/500383329.db2.gz HDPMNPAKWOZFJR-ZDUSSCGKSA-N -1 3 357.479 3.306 20 0 FGADHM Cc1cccc(CNc2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)c1F ZINC000419749139 500393002 /nfs/dbraw/zinc/39/30/02/500393002.db2.gz GNDMUNUSIFOOGP-UHFFFAOYSA-N -1 3 352.406 3.326 20 0 FGADHM COCc1cccc(CNc2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)c1 ZINC000419755390 500393367 /nfs/dbraw/zinc/39/33/67/500393367.db2.gz QJOHSXVSQQTHRW-UHFFFAOYSA-N -1 3 364.442 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CCCCc1nc(NC(=O)C2Cc3ccccc3C2)c(C(=O)OCC)[n-]1 ZINC000432990029 500602941 /nfs/dbraw/zinc/60/29/41/500602941.db2.gz XBADBPXEPRURJD-UHFFFAOYSA-N -1 3 355.438 3.283 20 0 FGADHM COC(=O)c1cc(C(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)c[n-]1 ZINC000576652385 506205951 /nfs/dbraw/zinc/20/59/51/506205951.db2.gz GNEPFOKKWOZWOG-UHFFFAOYSA-N -1 3 369.402 3.112 20 0 FGADHM Cc1ccc2c(c1C)OC[C@H]2[N-]S(=O)(=O)c1cnc2ccsc2c1 ZINC000437251113 500620592 /nfs/dbraw/zinc/62/05/92/500620592.db2.gz MDTHEXASGZPTBE-OAHLLOKOSA-N -1 3 360.460 3.325 20 0 FGADHM CC(C)Cn1cnc(S(=O)(=O)[N-]C[C@@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000437306477 500627622 /nfs/dbraw/zinc/62/76/22/500627622.db2.gz LZWYUVOWSWCDGR-OLZOCXBDSA-N -1 3 367.437 3.186 20 0 FGADHM CCc1ccc([C@H](C)NCC[N-]S(=O)(=O)c2ccc(Cl)cc2F)o1 ZINC000442866041 500636242 /nfs/dbraw/zinc/63/62/42/500636242.db2.gz HHJXPAYIIPUPQQ-NSHDSACASA-N -1 3 374.865 3.264 20 0 FGADHM CCOc1ccccc1CN1CCN(C(=O)c2ccc([O-])c(C)c2)[C@@H](C)C1 ZINC000442898732 500644023 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/nfs/dbraw/zinc/86/19/02/500861902.db2.gz CCMIEJPDEVNAHY-UHFFFAOYSA-N -1 3 359.389 3.011 20 0 FGADHM COc1cc(C)c(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])cc1C ZINC000444621214 500868507 /nfs/dbraw/zinc/86/85/07/500868507.db2.gz YMSJUWNVXGDPNN-QGZVFWFLSA-N -1 3 368.433 3.261 20 0 FGADHM CC(C)c1ncsc1C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000448983116 500886684 /nfs/dbraw/zinc/88/66/84/500886684.db2.gz MPUMULVDIRPUGH-UHFFFAOYSA-N -1 3 373.478 3.007 20 0 FGADHM O=S(=O)([N-]C[C@H]1CCCCN1C1CC1)c1c(Cl)cccc1Cl ZINC000434764840 500891051 /nfs/dbraw/zinc/89/10/51/500891051.db2.gz JZMCPHUEFGPZGD-GFCCVEGCSA-N -1 3 363.310 3.289 20 0 FGADHM CC[C@H](C)[C@@](C)(O)CNC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000439502044 500906768 /nfs/dbraw/zinc/90/67/68/500906768.db2.gz FQXMMEFFYYNDIF-BTYIYWSLSA-N -1 3 357.450 3.498 20 0 FGADHM CC[C@H](C)[C@](C)(O)CNC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000439502050 500907466 /nfs/dbraw/zinc/90/74/66/500907466.db2.gz FQXMMEFFYYNDIF-YCRPNKLZSA-N -1 3 357.450 3.498 20 0 FGADHM C[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000434958703 500916240 /nfs/dbraw/zinc/91/62/40/500916240.db2.gz OTYPBPCBBBZHIF-CABZTGNLSA-N -1 3 350.253 3.445 20 0 FGADHM Cc1cccc(-c2nnc3n2C[C@@H](C(=O)Nc2ccc(C)cc2[O-])CC3)c1 ZINC000449092213 500923006 /nfs/dbraw/zinc/92/30/06/500923006.db2.gz SHBVBZMMVFIGCB-INIZCTEOSA-N -1 3 362.433 3.469 20 0 FGADHM COc1ccc2c(c1)[n-]cc(C(=O)N1CC[C@@H](Cc3ccccc3)C1)c2=O ZINC000439799214 500940056 /nfs/dbraw/zinc/94/00/56/500940056.db2.gz FWDPMSMVXCKJQM-INIZCTEOSA-N -1 3 362.429 3.242 20 0 FGADHM Cc1ccccc1-c1cc(=NC(=O)c2cnn(C)c2Cc2ccccc2)[nH][n-]1 ZINC000445183373 500952421 /nfs/dbraw/zinc/95/24/21/500952421.db2.gz OEHYLRYMUIRMLH-UHFFFAOYSA-N -1 3 371.444 3.384 20 0 FGADHM CSc1c(F)cccc1C(=O)Nc1cc(C)ccc1[N-]S(C)(=O)=O ZINC000435466460 500982336 /nfs/dbraw/zinc/98/23/36/500982336.db2.gz VZDLWKOWMMGRGK-UHFFFAOYSA-N -1 3 368.455 3.480 20 0 FGADHM C[C@@H](C(=O)N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1)n1cccn1 ZINC000435469423 500982812 /nfs/dbraw/zinc/98/28/12/500982812.db2.gz JNKYURQMQFHVBG-VIFPVBQESA-N -1 3 350.209 3.202 20 0 FGADHM CCOc1cc(-c2noc(CCCc3nc(C4CC4)no3)n2)ccc1[O-] ZINC000445433491 500984326 /nfs/dbraw/zinc/98/43/26/500984326.db2.gz ZFEHIJZMTYIERD-UHFFFAOYSA-N -1 3 356.382 3.277 20 0 FGADHM CC(C)Cn1cnc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccc(Cl)cc2)c1 ZINC000435592807 500998199 /nfs/dbraw/zinc/99/81/99/500998199.db2.gz NAXBJDBQQMXVMX-LSDHHAIUSA-N -1 3 353.875 3.027 20 0 FGADHM CC(C)n1nc(C(=O)N=c2cc(-c3ccccc3)[n-][nH]2)c2ccccc2c1=O ZINC000435678660 501010101 /nfs/dbraw/zinc/01/01/01/501010101.db2.gz RDQVGQMYKNLROJ-UHFFFAOYSA-N -1 3 373.416 3.042 20 0 FGADHM Cn1cc(Br)c(CNCc2cc([O-])cc(C(F)(F)F)c2)n1 ZINC000449483329 501014467 /nfs/dbraw/zinc/01/44/67/501014467.db2.gz IIXYVDMBZBBQFW-UHFFFAOYSA-N -1 3 364.165 3.197 20 0 FGADHM CCO[C@@H]1CCN(Cc2ccc(OC)c([O-])c2Br)C[C@H]1C ZINC000449511765 501021847 /nfs/dbraw/zinc/02/18/47/501021847.db2.gz YWTHDEWBLMQLNK-DGCLKSJQSA-N -1 3 358.276 3.410 20 0 FGADHM CC(C)[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1cnc(-c2ccccc2)nc1 ZINC000445704759 501022259 /nfs/dbraw/zinc/02/22/59/501022259.db2.gz MEGIORDYHASNAF-AWEZNQCLSA-N -1 3 373.400 3.399 20 0 FGADHM COc1ccc(CN2CC[C@@H]3C[C@@H](O)CC[C@@H]3C2)c(Br)c1[O-] ZINC000449552361 501031672 /nfs/dbraw/zinc/03/16/72/501031672.db2.gz IVCYVEQJTSBLHC-BZPMIXESSA-N -1 3 370.287 3.146 20 0 FGADHM Cc1cccc(C(=O)Nc2ncc(I)cc2C)c1[O-] ZINC000440667149 501036464 /nfs/dbraw/zinc/03/64/64/501036464.db2.gz BXKMJPAZVFUYOD-UHFFFAOYSA-N -1 3 368.174 3.261 20 0 FGADHM CN(C)C(=O)COc1ccc(-c2noc(/C=C/c3cccc([O-])c3)n2)cc1 ZINC000435954211 501050639 /nfs/dbraw/zinc/05/06/39/501050639.db2.gz BCGWYDSVFGHDGC-IZZDOVSWSA-N -1 3 365.389 3.080 20 0 FGADHM O=C(Nc1cccc(Cn2cncn2)c1)c1cn[n-]c1-c1ccsc1 ZINC000436078804 501067167 /nfs/dbraw/zinc/06/71/67/501067167.db2.gz YIPNMMYCWFEKIW-UHFFFAOYSA-N -1 3 350.407 3.030 20 0 FGADHM O=C(Nc1cccc(Cn2cncn2)c1)c1c[n-]nc1-c1ccsc1 ZINC000436078804 501067168 /nfs/dbraw/zinc/06/71/68/501067168.db2.gz YIPNMMYCWFEKIW-UHFFFAOYSA-N -1 3 350.407 3.030 20 0 FGADHM CN(C)CCOc1cccc(NC(=O)c2cc(F)c([O-])c(Cl)c2)c1 ZINC000446093518 501073465 /nfs/dbraw/zinc/07/34/65/501073465.db2.gz XYPPTYGIMPQVIF-UHFFFAOYSA-N -1 3 352.793 3.377 20 0 FGADHM CC(=O)[C@@H](Cc1c(F)cccc1F)Sc1n[n-]c(-c2ccccn2)n1 ZINC000436195239 501087281 /nfs/dbraw/zinc/08/72/81/501087281.db2.gz BYGVXWUZTVAYME-OAHLLOKOSA-N -1 3 360.389 3.437 20 0 FGADHM CC(C)CC(CC(C)C)C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000449805940 501091833 /nfs/dbraw/zinc/09/18/33/501091833.db2.gz XOEGWGKFWSCQJE-UHFFFAOYSA-N -1 3 360.498 3.385 20 0 FGADHM CCc1nc(C(C)(C)NCc2cc(Br)c([O-])c(OC)c2)no1 ZINC000441197350 501101883 /nfs/dbraw/zinc/10/18/83/501101883.db2.gz MOAOFRJPDGFCHT-UHFFFAOYSA-N -1 3 370.247 3.134 20 0 FGADHM CCC[C@@H]1[C@@H](C)CCCN1C(=O)C(=O)[N-]c1sccc1C(=O)OCC ZINC000441368639 501129087 /nfs/dbraw/zinc/12/90/87/501129087.db2.gz SPQLNYLHMVWFSZ-GXTWGEPZSA-N -1 3 366.483 3.291 20 0 FGADHM CCOC(=O)CC1(S(=O)(=O)[N-]c2cccc(OC3CCCC3)c2)CC1 ZINC000436479879 501135635 /nfs/dbraw/zinc/13/56/35/501135635.db2.gz UDOXMENERPQAIS-UHFFFAOYSA-N -1 3 367.467 3.236 20 0 FGADHM COc1ccccc1[C@@H]1CN(C(=O)c2ccc3c(c2[O-])CCCC3)CCN1 ZINC000436506483 501142618 /nfs/dbraw/zinc/14/26/18/501142618.db2.gz CFOUVERYFGYKCJ-IBGZPJMESA-N -1 3 366.461 3.066 20 0 FGADHM CC(C)(C)OC(=O)c1ccc(CNC(=O)Cc2ccc([O-])c(F)c2)cc1 ZINC000449980912 501144550 /nfs/dbraw/zinc/14/45/50/501144550.db2.gz LNHLWLAMMLHSPK-UHFFFAOYSA-N -1 3 359.397 3.346 20 0 FGADHM CCCCNC(=O)c1ccc(CNC(=O)c2ccc(C)c(C)c2[O-])cc1 ZINC000436518656 501146457 /nfs/dbraw/zinc/14/64/57/501146457.db2.gz RVJBHRWBNIADRY-UHFFFAOYSA-N -1 3 354.450 3.469 20 0 FGADHM CCCN(C(=O)c1ccc(O)cc1[O-])[C@H](C)CC(=O)Nc1ccccc1 ZINC000436519119 501146619 /nfs/dbraw/zinc/14/66/19/501146619.db2.gz VCPDVQQUUCXQMK-CQSZACIVSA-N -1 3 356.422 3.367 20 0 FGADHM CCN(CC1CCN(c2ccccn2)CC1)C(=O)Cc1ccc([O-])c(F)c1 ZINC000449993988 501147832 /nfs/dbraw/zinc/14/78/32/501147832.db2.gz FPSKEESZITZWAI-UHFFFAOYSA-N -1 3 371.456 3.234 20 0 FGADHM CC(=O)c1ccc(C(=O)N(Cc2cccs2)C[C@H]2CCCO2)cc1[O-] ZINC000436525915 501148222 /nfs/dbraw/zinc/14/82/22/501148222.db2.gz PIKVBOZOWFUKPM-OAHLLOKOSA-N -1 3 359.447 3.478 20 0 FGADHM Cc1cnc(CCNC(=O)c2cc(CCc3ccccc3)ccc2[O-])nc1 ZINC000436524497 501148334 /nfs/dbraw/zinc/14/83/34/501148334.db2.gz IPFFWRUFSTWCRY-UHFFFAOYSA-N -1 3 361.445 3.248 20 0 FGADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1ccnc(NC(=O)C2CC2)c1 ZINC000436524433 501148399 /nfs/dbraw/zinc/14/83/99/501148399.db2.gz HUKOXAFXYZTKMS-UHFFFAOYSA-N -1 3 365.311 3.407 20 0 FGADHM COC(=O)[C@@H](C)CN(C(=O)c1cc(Cc2ccccc2)ccc1[O-])C1CC1 ZINC000436534003 501149813 /nfs/dbraw/zinc/14/98/13/501149813.db2.gz JFKSMWTYLAMASZ-HNNXBMFYSA-N -1 3 367.445 3.397 20 0 FGADHM CC[C@@H](CC(F)(F)F)C(=O)Nc1cc(C)ccc1[N-]S(C)(=O)=O ZINC000450002366 501150951 /nfs/dbraw/zinc/15/09/51/501150951.db2.gz HPLQTNWYTYQKLL-JTQLQIEISA-N -1 3 352.378 3.284 20 0 FGADHM COc1ccc(C(=O)Nc2cccc(CN3C[C@@H](C)O[C@@H](C)C3)c2)c([O-])c1 ZINC000436537887 501151100 /nfs/dbraw/zinc/15/11/00/501151100.db2.gz POBJVXQZUNXQND-GASCZTMLSA-N -1 3 370.449 3.262 20 0 FGADHM C[C@H](F)CCNC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436539939 501151973 /nfs/dbraw/zinc/15/19/73/501151973.db2.gz WZYPOCZLRSEPED-KBXCAEBGSA-N -1 3 358.413 3.118 20 0 FGADHM Cc1ccc(C(=O)N[C@@H](CN2CCCC2=O)c2ccccc2)c([O-])c1C ZINC000436544992 501152991 /nfs/dbraw/zinc/15/29/91/501152991.db2.gz FHWBRCIJOBPEJZ-SFHVURJKSA-N -1 3 352.434 3.103 20 0 FGADHM CCCS(=O)(=O)Nc1ccc(NC(=O)c2cc(CC)ccc2[O-])cc1 ZINC000436550307 501154310 /nfs/dbraw/zinc/15/43/10/501154310.db2.gz YIAZTRRTVHFWPG-UHFFFAOYSA-N -1 3 362.451 3.359 20 0 FGADHM COc1cccc(CN(C[C@H]2CCCO2)C(=O)c2ccc(OC)cc2[O-])c1 ZINC000436548989 501154456 /nfs/dbraw/zinc/15/44/56/501154456.db2.gz OLBBOKQQARRCEV-GOSISDBHSA-N -1 3 371.433 3.231 20 0 FGADHM CCOc1nc2cc(C(=O)N[C@@H]3CCCC[C@@H]3n3cccn3)ccc2[n-]1 ZINC000450016374 501155072 /nfs/dbraw/zinc/15/50/72/501155072.db2.gz KHPBSDDDHXANEL-WBVHZDCISA-N -1 3 353.426 3.072 20 0 FGADHM CCOc1nc2ccc(C(=O)N[C@@H]3CCCC[C@@H]3n3cccn3)cc2[n-]1 ZINC000450016374 501155073 /nfs/dbraw/zinc/15/50/73/501155073.db2.gz KHPBSDDDHXANEL-WBVHZDCISA-N -1 3 353.426 3.072 20 0 FGADHM O=C(NCCCN1CCCCC1=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436555192 501156336 /nfs/dbraw/zinc/15/63/36/501156336.db2.gz KCJDABGILJSOHW-UHFFFAOYSA-N -1 3 366.461 3.115 20 0 FGADHM Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(C)c(C)c3[O-])C2)n1 ZINC000436559627 501157126 /nfs/dbraw/zinc/15/71/26/501157126.db2.gz ALXWJVSPKRITNS-MRXNPFEDSA-N -1 3 367.449 3.203 20 0 FGADHM O=C(c1ccccc1[O-])N1CCN(c2nccc3ccc(F)cc32)CC1 ZINC000436568419 501158842 /nfs/dbraw/zinc/15/88/42/501158842.db2.gz XHEAUAJBYRURFL-UHFFFAOYSA-N -1 3 351.381 3.042 20 0 FGADHM CC(=O)c1ccc(C(=O)NCc2cccc(OCC(F)(F)F)c2)cc1[O-] ZINC000436573713 501160232 /nfs/dbraw/zinc/16/02/32/501160232.db2.gz CYCSLIUOSBFSBJ-UHFFFAOYSA-N -1 3 367.323 3.466 20 0 FGADHM CN(C)C(=O)c1cc(NC(=O)c2cc3c(cc2[O-])CCCC3)ccc1F ZINC000436579972 501161078 /nfs/dbraw/zinc/16/10/78/501161078.db2.gz WDMGZIILYOQISL-UHFFFAOYSA-N -1 3 356.397 3.364 20 0 FGADHM COc1ccccc1-c1noc([C@@H](C)NC(=O)c2cccc(C)c2[O-])n1 ZINC000436576949 501161130 /nfs/dbraw/zinc/16/11/30/501161130.db2.gz SDNLPOULKKDBIU-GFCCVEGCSA-N -1 3 353.378 3.250 20 0 FGADHM CC(C)c1ccc(C(=O)N[C@H]2CCN(C(=O)C3CCCCC3)C2)c([O-])c1 ZINC000436580445 501162311 /nfs/dbraw/zinc/16/23/11/501162311.db2.gz WVNXIGXCKAWIFT-KRWDZBQOSA-N -1 3 358.482 3.427 20 0 FGADHM Cc1ccc(CNC(=O)c2cccc(C)c2[O-])c(OC[C@H]2CCOC2)c1 ZINC000436581691 501162513 /nfs/dbraw/zinc/16/25/13/501162513.db2.gz BKYZOUYTIZCWHL-INIZCTEOSA-N -1 3 355.434 3.354 20 0 FGADHM COc1cccc(C(=O)N[C@H]2CCN(C)[C@H]2c2ccc(Cl)cc2)c1[O-] ZINC000436585645 501162733 /nfs/dbraw/zinc/16/27/33/501162733.db2.gz SWXJRMGTUXXTJJ-RDJZCZTQSA-N -1 3 360.841 3.229 20 0 FGADHM CC[C@@H]1Oc2cc([C@H](C)NC(=O)c3ccc(C)cc3[O-])ccc2NC1=O ZINC000436584626 501163172 /nfs/dbraw/zinc/16/31/72/501163172.db2.gz JLVQNMGQJUPWOK-SJCJKPOMSA-N -1 3 354.406 3.301 20 0 FGADHM CCNC(=O)N1CCc2ccc(NC(=O)c3ccc(C)c(C)c3[O-])cc21 ZINC000436586695 501163870 /nfs/dbraw/zinc/16/38/70/501163870.db2.gz CHIQMFMVVKTCPL-UHFFFAOYSA-N -1 3 353.422 3.353 20 0 FGADHM CCCC[C@H]1CCC[C@@H]1NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436605345 501168383 /nfs/dbraw/zinc/16/83/83/501168383.db2.gz CBHDPVNCHGZLMX-LPHOPBHVSA-N -1 3 373.497 3.219 20 0 FGADHM COc1cc(NC(C)=O)ccc1NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436605546 501168533 /nfs/dbraw/zinc/16/85/33/501168533.db2.gz PIKXXXAFYZWPSZ-UHFFFAOYSA-N -1 3 370.405 3.325 20 0 FGADHM [O-]c1ccc(-c2noc(CCCCN3CCOCC3)n2)c2ccccc12 ZINC000436608224 501169424 /nfs/dbraw/zinc/16/94/24/501169424.db2.gz GTFVFCCKEOAPAR-UHFFFAOYSA-N -1 3 353.422 3.250 20 0 FGADHM NC(=O)c1ccc(OCc2nc(-c3ccc([O-])c4ccccc34)no2)cc1 ZINC000436615520 501170288 /nfs/dbraw/zinc/17/02/88/501170288.db2.gz FHKUUKKLTGRWMM-UHFFFAOYSA-N -1 3 361.357 3.273 20 0 FGADHM COC(=O)c1c(CC(C)C)csc1[N-]C(=O)C(=O)N1CCCCCC1 ZINC000441784752 501171607 /nfs/dbraw/zinc/17/16/07/501171607.db2.gz FDWBWRSIPRCFBO-UHFFFAOYSA-N -1 3 366.483 3.074 20 0 FGADHM COC(=O)[C@H](C[C@@H]1CCCc2ccccc21)NC(=O)c1ccc([O-])c(C)c1 ZINC000436628989 501173653 /nfs/dbraw/zinc/17/36/53/501173653.db2.gz HXTDMXRTWVLMHO-LPHOPBHVSA-N -1 3 367.445 3.482 20 0 FGADHM Cc1ccc(NC(=O)c2c([O-])cccc2O)cc1NC(=O)c1ccncc1 ZINC000436647061 501178040 /nfs/dbraw/zinc/17/80/40/501178040.db2.gz IZSFQZSWQJKDMK-UHFFFAOYSA-N -1 3 363.373 3.306 20 0 FGADHM Cc1nc(S(=O)(=O)[N-]Cc2ccc(Sc3ccccc3)cc2)cn1C ZINC000446925271 501182199 /nfs/dbraw/zinc/18/21/99/501182199.db2.gz NMEFBFQEMUOFKA-UHFFFAOYSA-N -1 3 373.503 3.358 20 0 FGADHM C[C@@H](NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2)c1ccc([S@](C)=O)cc1 ZINC000436687994 501188836 /nfs/dbraw/zinc/18/88/36/501188836.db2.gz SGNRPJOFTGBHMH-RYZVSIALSA-N -1 3 373.474 3.334 20 0 FGADHM CCOc1cccc([C@@H]2C[C@H]2NC(=O)c2cc(NC(C)=O)ccc2[O-])c1 ZINC000436695315 501190371 /nfs/dbraw/zinc/19/03/71/501190371.db2.gz DDEPTMAOFVVFPS-FUHWJXTLSA-N -1 3 354.406 3.035 20 0 FGADHM Cc1cccc(C(=O)N[C@H]2CCCN([C@@H](C)c3ccc(F)cc3)C2=O)c1[O-] ZINC000436701025 501191211 /nfs/dbraw/zinc/19/12/11/501191211.db2.gz XVTVFWAIIQMNBY-KSSFIOAISA-N -1 3 370.424 3.322 20 0 FGADHM CC(C)[C@@H](Sc1ccccc1)C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000436700637 501191306 /nfs/dbraw/zinc/19/13/06/501191306.db2.gz WTNMXUIVZVWXSY-GOSISDBHSA-N -1 3 372.490 3.055 20 0 FGADHM Cc1ccc(-c2nnc(NC(=O)[C@H](C)[C@H]3OCCc4sccc43)[n-]2)o1 ZINC000450142823 501192540 /nfs/dbraw/zinc/19/25/40/501192540.db2.gz WFDFGNXESMEGSC-QMTHXVAHSA-N -1 3 358.423 3.323 20 0 FGADHM Cc1ccc(-c2n[n-]c(NC(=O)[C@H](C)[C@H]3OCCc4sccc43)n2)o1 ZINC000450142823 501192543 /nfs/dbraw/zinc/19/25/43/501192543.db2.gz WFDFGNXESMEGSC-QMTHXVAHSA-N -1 3 358.423 3.323 20 0 FGADHM Cc1ccc(-c2nc(NC(=O)[C@H](C)[C@H]3OCCc4sccc43)n[n-]2)o1 ZINC000450142823 501192546 /nfs/dbraw/zinc/19/25/46/501192546.db2.gz WFDFGNXESMEGSC-QMTHXVAHSA-N -1 3 358.423 3.323 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N[C@H](c2ccccc2)C2CC2)c([O-])c1 ZINC000436703257 501192644 /nfs/dbraw/zinc/19/26/44/501192644.db2.gz DLWVTLOOWJOWST-HXUWFJFHSA-N -1 3 352.434 3.088 20 0 FGADHM CCO[C@@H]1C[C@H](NC(=O)c2ccc([O-])c(CC)c2)[C@@H]1Oc1ccccc1 ZINC000436709810 501193895 /nfs/dbraw/zinc/19/38/95/501193895.db2.gz ZOZPVTFBVQNLMQ-SXLOBPIMSA-N -1 3 355.434 3.309 20 0 FGADHM C[C@@H]1[C@@H](C)N(C(=O)c2cc(OCc3ccccc3)ccc2[O-])CCN1C ZINC000436711707 501193969 /nfs/dbraw/zinc/19/39/69/501193969.db2.gz KGMFYVYHGUBLEJ-HZPDHXFCSA-N -1 3 354.450 3.136 20 0 FGADHM CC1CCC(CC(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)CC1 ZINC000436729321 501199009 /nfs/dbraw/zinc/19/90/09/501199009.db2.gz AKFPVRDBLIGJGK-UHFFFAOYSA-N -1 3 358.482 3.329 20 0 FGADHM CN(C)C[C@H](NC(=O)c1cc(F)cc(Cl)c1[O-])c1ccc(F)cc1 ZINC000436736680 501200316 /nfs/dbraw/zinc/20/03/16/501200316.db2.gz ORDMTSQDTINWBT-HNNXBMFYSA-N -1 3 354.784 3.357 20 0 FGADHM Cc1cccc(C(=O)Nc2cc(-c3ccc(Cl)cc3)nn2CCO)c1[O-] ZINC000436746570 501203378 /nfs/dbraw/zinc/20/33/78/501203378.db2.gz YVJNKOWHFWCGTH-UHFFFAOYSA-N -1 3 371.824 3.462 20 0 FGADHM COc1ccccc1[C@@H](CNC(=O)c1ccc(F)cc1[O-])N1CCCC1 ZINC000436746878 501203446 /nfs/dbraw/zinc/20/34/46/501203446.db2.gz HZIVTRQIRCBSBJ-QGZVFWFLSA-N -1 3 358.413 3.107 20 0 FGADHM CC1CC(C(=O)N=c2cc(OC(F)F)n(C)[n-]2)(c2cccc(Cl)c2)C1 ZINC000450774666 501205834 /nfs/dbraw/zinc/20/58/34/501205834.db2.gz DHSPXCQFIAXQFG-UHFFFAOYSA-N -1 3 369.799 3.403 20 0 FGADHM CCOC(=O)c1ccsc1[N-]C(=O)C(=O)N1CCC[C@H]1CC(C)(C)C ZINC000442193635 501206481 /nfs/dbraw/zinc/20/64/81/501206481.db2.gz YLPHMSZBNWXSMB-LBPRGKRZSA-N -1 3 366.483 3.291 20 0 FGADHM COC1CCN(C(C)(C)CNC(=O)c2ccc(C(F)(F)F)cc2[O-])CC1 ZINC000436768272 501208973 /nfs/dbraw/zinc/20/89/73/501208973.db2.gz IMJBFMOOWWPOFE-UHFFFAOYSA-N -1 3 374.403 3.030 20 0 FGADHM CCCN1Cc2cccc(NC(=O)c3cc(OC)c([O-])c(OC)c3)c2C1 ZINC000436775573 501209359 /nfs/dbraw/zinc/20/93/59/501209359.db2.gz QMGJICPPGTUWLR-UHFFFAOYSA-N -1 3 356.422 3.387 20 0 FGADHM CCOC(=O)[C@@H](Cc1cccc(Cl)c1)NC(=O)c1ccc([O-])c(C)c1 ZINC000436778167 501210146 /nfs/dbraw/zinc/21/01/46/501210146.db2.gz FYXKRMDCTFSLSD-MRXNPFEDSA-N -1 3 361.825 3.258 20 0 FGADHM COc1cc(-c2noc(-c3cn(-c4ccccc4Cl)nn3)n2)ccc1[O-] ZINC000436785319 501210801 /nfs/dbraw/zinc/21/08/01/501210801.db2.gz OCEILTAFDXUIFQ-UHFFFAOYSA-N -1 3 369.768 3.352 20 0 FGADHM CN(CC(=O)Nc1cc(F)cc(F)c1)C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436790894 501212377 /nfs/dbraw/zinc/21/23/77/501212377.db2.gz JIJGHMZFRYCYLO-UHFFFAOYSA-N -1 3 374.387 3.260 20 0 FGADHM CCc1ccc(C(=O)NCCCc2cc(N)n(-c3ccccc3)n2)c([O-])c1 ZINC000436794208 501212608 /nfs/dbraw/zinc/21/26/08/501212608.db2.gz AWVJIQMNIBFTDD-UHFFFAOYSA-N -1 3 364.449 3.085 20 0 FGADHM Cc1nn(C)c2nc(C(=O)Nc3cc(C(F)(F)F)ccc3[O-])ccc12 ZINC000436796022 501212764 /nfs/dbraw/zinc/21/27/64/501212764.db2.gz HRRGPODXUOEURU-UHFFFAOYSA-N -1 3 350.300 3.253 20 0 FGADHM Cc1ccc(C(=O)N[C@H](c2ccn(C)n2)c2ccc(F)cc2)c([O-])c1C ZINC000436804668 501214083 /nfs/dbraw/zinc/21/40/83/501214083.db2.gz BXHFPJRRNQVIJS-SFHVURJKSA-N -1 3 353.397 3.401 20 0 FGADHM CC[C@H](CNC(=O)c1cc(OC)c([O-])c(OC)c1)Oc1ccccc1C ZINC000436810503 501214916 /nfs/dbraw/zinc/21/49/16/501214916.db2.gz RZNDESIBITUHHL-OAHLLOKOSA-N -1 3 359.422 3.305 20 0 FGADHM COC(=O)c1cccc(C(=O)Nc2cc(Cc3ccccc3)ccc2[O-])n1 ZINC000436810920 501215053 /nfs/dbraw/zinc/21/50/53/501215053.db2.gz SRAMXFJOIYTCOX-UHFFFAOYSA-N -1 3 362.385 3.417 20 0 FGADHM CCOc1c(OC)cc(CNC(=O)c2ccc(CC)cc2[O-])cc1OC ZINC000436824534 501216881 /nfs/dbraw/zinc/21/68/81/501216881.db2.gz HKQZQIJMGWZJBQ-UHFFFAOYSA-N -1 3 359.422 3.301 20 0 FGADHM CC[C@H](NC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-])C(F)(F)F ZINC000436824661 501216991 /nfs/dbraw/zinc/21/69/91/501216991.db2.gz ADLCQTSLXXSNFO-ZDUSSCGKSA-N -1 3 371.315 3.012 20 0 FGADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CCN(Cc2ccccc2)CC1 ZINC000436826209 501217153 /nfs/dbraw/zinc/21/71/53/501217153.db2.gz JJXMXDZXOVVMKR-UHFFFAOYSA-N -1 3 350.462 3.229 20 0 FGADHM CCc1ccc(C(=O)Nc2cccc(C(=O)N3CCSCC3)c2)c([O-])c1 ZINC000436827572 501217630 /nfs/dbraw/zinc/21/76/30/501217630.db2.gz UCBIDCVJGHKLJM-UHFFFAOYSA-N -1 3 370.474 3.396 20 0 FGADHM COc1ccc(C2(CNC(=O)c3cc(OC)c([O-])c(OC)c3)CCC2)cc1 ZINC000436856168 501222278 /nfs/dbraw/zinc/22/22/78/501222278.db2.gz SKNYGDNSVCLWNL-UHFFFAOYSA-N -1 3 371.433 3.270 20 0 FGADHM CC[C@H](NC(=O)c1cc(NC(C)=O)ccc1[O-])c1ccc(OC)c(OC)c1 ZINC000436860856 501223130 /nfs/dbraw/zinc/22/31/30/501223130.db2.gz QIUYTASCHWYXMU-INIZCTEOSA-N -1 3 372.421 3.249 20 0 FGADHM CC(=O)Nc1ccc2nc(NC(=O)c3ccc(C(C)=O)c([O-])c3)sc2c1 ZINC000436870100 501224708 /nfs/dbraw/zinc/22/47/08/501224708.db2.gz OJPCNFGXPDUYPI-UHFFFAOYSA-N -1 3 369.402 3.415 20 0 FGADHM O=c1[n-]nc([C@H]2CCCN(Cc3ccccc3OCC(F)(F)F)C2)o1 ZINC000450896895 501225674 /nfs/dbraw/zinc/22/56/74/501225674.db2.gz OWTZZBGPWYTTJS-LBPRGKRZSA-N -1 3 357.332 3.096 20 0 FGADHM CCCCO[C@@H]1C[C@@H](NC(=O)c2cc(OC)c([O-])c(OC)c2)C1(C)C ZINC000436874237 501225691 /nfs/dbraw/zinc/22/56/91/501225691.db2.gz UULKXVMMKRJDBA-HZPDHXFCSA-N -1 3 351.443 3.123 20 0 FGADHM CC1(C)CN(c2ccc(Cl)cc2)CCN1C(=O)c1ccc(O)cc1[O-] ZINC000436878518 501226000 /nfs/dbraw/zinc/22/60/00/501226000.db2.gz UCDIPPKBNGPJOK-UHFFFAOYSA-N -1 3 360.841 3.492 20 0 FGADHM O=C(c1ccccc1[O-])N1CCC(N=c2[nH]c3cccc(F)c3s2)CC1 ZINC000450293490 501227467 /nfs/dbraw/zinc/22/74/67/501227467.db2.gz JOQYMBOKAFOKKQ-UHFFFAOYSA-N -1 3 371.437 3.280 20 0 FGADHM COc1cccc([C@@H]2[C@@H](NC(=O)c3ccccc3[O-])CCN2C2CC2)c1 ZINC000436887842 501227874 /nfs/dbraw/zinc/22/78/74/501227874.db2.gz LEGKKEZRXLCUTB-AZUAARDMSA-N -1 3 352.434 3.109 20 0 FGADHM CCn1nccc1CN(CCO)C(=O)c1cc(C(C)C)cc(C(C)C)c1[O-] ZINC000436888215 501227897 /nfs/dbraw/zinc/22/78/97/501227897.db2.gz MEBFVPUVRDMXOW-UHFFFAOYSA-N -1 3 373.497 3.490 20 0 FGADHM COc1ccc([O-])c(-c2nc(Cc3cc(Cl)c4c(c3)OCCO4)no2)c1 ZINC000436894300 501228662 /nfs/dbraw/zinc/22/86/62/501228662.db2.gz FHAZLXJNORDSJU-UHFFFAOYSA-N -1 3 374.780 3.466 20 0 FGADHM CN(C[C@@H](O)C(F)(F)F)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436895550 501229218 /nfs/dbraw/zinc/22/92/18/501229218.db2.gz JKAAJIXAYGNNEI-QGZVFWFLSA-N -1 3 367.367 3.173 20 0 FGADHM COCCN(C)CC[C@H](N=c1[n-]c(C(C)=O)c(C)s1)c1ccccc1 ZINC000450311771 501231049 /nfs/dbraw/zinc/23/10/49/501231049.db2.gz FBFLLLNDUOGUGA-KRWDZBQOSA-N -1 3 361.511 3.198 20 0 FGADHM Cc1ccc(C(=O)N[C@@H](CO)c2ccccc2OC(F)(F)F)c([O-])c1C ZINC000436913766 501231971 /nfs/dbraw/zinc/23/19/71/501231971.db2.gz JWUHSARFXRYVIW-AWEZNQCLSA-N -1 3 369.339 3.371 20 0 FGADHM COc1ccc(C(=O)N[C@H](C)c2ccc(NC(=O)NC3CC3)cc2)c([O-])c1 ZINC000436926783 501233785 /nfs/dbraw/zinc/23/37/85/501233785.db2.gz NDWZINJSYMMVSC-GFCCVEGCSA-N -1 3 369.421 3.176 20 0 FGADHM CCCCNC(=O)c1ccc(CNC(=O)c2cc(CC)ccc2[O-])cc1 ZINC000436925533 501233892 /nfs/dbraw/zinc/23/38/92/501233892.db2.gz GTADTWQEEJYCOT-UHFFFAOYSA-N -1 3 354.450 3.415 20 0 FGADHM O=C(Nc1ccccc1[N-]S(=O)(=O)CCCCF)c1cccs1 ZINC000451001565 501238169 /nfs/dbraw/zinc/23/81/69/501238169.db2.gz RQEDMRHVWBLFMT-UHFFFAOYSA-N -1 3 356.444 3.492 20 0 FGADHM Cc1csc(S(=O)(=O)[N-]Cc2cccc(NC(=O)C3CCC3)c2)c1 ZINC000451034790 501241001 /nfs/dbraw/zinc/24/10/01/501241001.db2.gz DMKQNBJUPPEMGI-UHFFFAOYSA-N -1 3 364.492 3.274 20 0 FGADHM Cc1csc(S(=O)(=O)[N-]Cc2ccnc(OC3CCCC3)c2)c1 ZINC000451042792 501241448 /nfs/dbraw/zinc/24/14/48/501241448.db2.gz DRSNLNCHFACVMY-UHFFFAOYSA-N -1 3 352.481 3.251 20 0 FGADHM Cc1csc(S(=O)(=O)[N-][C@@H](c2ccc3c(c2)OCCO3)C2CC2)c1 ZINC000451093539 501245105 /nfs/dbraw/zinc/24/51/05/501245105.db2.gz FWOBVZFCMARJBN-QGZVFWFLSA-N -1 3 365.476 3.257 20 0 FGADHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2sc3ccccc3c2Cl)CCN1C ZINC000451245223 501254472 /nfs/dbraw/zinc/25/44/72/501254472.db2.gz OQHZSOZABIKYEW-GHMZBOCLSA-N -1 3 358.916 3.316 20 0 FGADHM COC(=O)[C@H](C)[C@H]([N-]S(=O)(=O)c1sccc1Cl)c1ccccc1 ZINC000451280924 501257128 /nfs/dbraw/zinc/25/71/28/501257128.db2.gz WXXOPFNERMEVGI-MFKMUULPSA-N -1 3 373.883 3.230 20 0 FGADHM CO[C@@H](C)c1nc(C[N-]S(=O)(=O)c2sccc2Cl)cs1 ZINC000451308973 501261696 /nfs/dbraw/zinc/26/16/96/501261696.db2.gz WHGZMWSSDZMRAS-ZETCQYMHSA-N -1 3 352.890 3.044 20 0 FGADHM COCCC1(C[N-]S(=O)(=O)c2ccc3ccccc3c2F)CCC1 ZINC000451315542 501263425 /nfs/dbraw/zinc/26/34/25/501263425.db2.gz RAYABMCBOWOXMD-UHFFFAOYSA-N -1 3 351.443 3.464 20 0 FGADHM CCc1ccc([C@H](CO)[N-]S(=O)(=O)Cc2c(F)cccc2Cl)cc1 ZINC000451346591 501271212 /nfs/dbraw/zinc/27/12/12/501271212.db2.gz UUYZCRUUOSBILE-KRWDZBQOSA-N -1 3 371.861 3.195 20 0 FGADHM Cn1[n-]c(=NC(=O)C(C)(C)Cc2ccc(Cl)cc2)cc1OC(F)F ZINC000457753318 501301876 /nfs/dbraw/zinc/30/18/76/501301876.db2.gz UUVZUVFMLNESHB-UHFFFAOYSA-N -1 3 357.788 3.304 20 0 FGADHM C[C@H]1Oc2ccccc2[C@@H]1[N-]S(=O)(=O)Cc1c(F)cccc1Cl ZINC000451556692 501323133 /nfs/dbraw/zinc/32/31/33/501323133.db2.gz NFJUPZYBAASRGO-QLJPJBMISA-N -1 3 355.818 3.421 20 0 FGADHM Cc1csc(S(=O)(=O)[N-]C[C@H]2CCN(c3ccccc3F)C2)c1 ZINC000451561457 501324522 /nfs/dbraw/zinc/32/45/22/501324522.db2.gz CWEJSLSKWKSNTD-CYBMUJFWSA-N -1 3 354.472 3.000 20 0 FGADHM COc1cc(C)c(Br)cc1S(=O)(=O)[N-]CCC(C)(F)F ZINC000451612084 501336290 /nfs/dbraw/zinc/33/62/90/501336290.db2.gz KFQGGDOFGXOHCP-UHFFFAOYSA-N -1 3 372.231 3.090 20 0 FGADHM COc1cccc(NC(=O)[C@H](c2ccccc2)N2CC[C@@](C)(C(=O)[O-])C2)c1 ZINC000455639269 501353338 /nfs/dbraw/zinc/35/33/38/501353338.db2.gz OJWCEDYNFPXHQH-GHTZIAJQSA-N -1 3 368.433 3.172 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1)[C@H](O)C(F)F ZINC000451715940 501358974 /nfs/dbraw/zinc/35/89/74/501358974.db2.gz RAECYJKFQOACNS-CABZTGNLSA-N -1 3 369.842 3.238 20 0 FGADHM CCC(C)(C)OCCNC(=O)NCc1ccc([O-])c(Br)c1 ZINC000455671114 501361310 /nfs/dbraw/zinc/36/13/10/501361310.db2.gz WVRWJPJZXQFHLA-UHFFFAOYSA-N -1 3 359.264 3.159 20 0 FGADHM CC1(C)Oc2ccsc2[C@@H](NC(=O)c2cc([O-])ccc2Cl)[C@@H]1O ZINC000458047199 501362501 /nfs/dbraw/zinc/36/25/01/501362501.db2.gz PEZSFJZWXUFUNX-OCCSQVGLSA-N -1 3 353.827 3.110 20 0 FGADHM CCn1cnc(S(=O)(=O)[N-][C@@H](c2ccc(F)c(Cl)c2)C2CC2)c1 ZINC000451763558 501367951 /nfs/dbraw/zinc/36/79/51/501367951.db2.gz ZKWNBYBCNBTTHD-OAHLLOKOSA-N -1 3 357.838 3.125 20 0 FGADHM CN(Cc1ccccc1)C1(C[N-]S(=O)(=O)c2cccs2)CCC1 ZINC000451793905 501373090 /nfs/dbraw/zinc/37/30/90/501373090.db2.gz FOSANWOPGZOKFP-UHFFFAOYSA-N -1 3 350.509 3.081 20 0 FGADHM CCSCc1ccc(NC(=O)NCc2nnc(C(F)(F)F)[n-]2)cc1 ZINC000455848845 501399389 /nfs/dbraw/zinc/39/93/89/501399389.db2.gz ABABJPHQDQZZGP-UHFFFAOYSA-N -1 3 359.377 3.398 20 0 FGADHM CCSCc1ccc(NC(=O)NCc2n[n-]c(C(F)(F)F)n2)cc1 ZINC000455848845 501399391 /nfs/dbraw/zinc/39/93/91/501399391.db2.gz ABABJPHQDQZZGP-UHFFFAOYSA-N -1 3 359.377 3.398 20 0 FGADHM CCSCc1ccc(NC(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000455848845 501399393 /nfs/dbraw/zinc/39/93/93/501399393.db2.gz ABABJPHQDQZZGP-UHFFFAOYSA-N -1 3 359.377 3.398 20 0 FGADHM CCC1(C[N-]S(=O)(=O)c2cc(Cl)ccc2OCC2CCC2)COC1 ZINC000451948865 501406623 /nfs/dbraw/zinc/40/66/23/501406623.db2.gz ACDRELKVVXZDQC-UHFFFAOYSA-N -1 3 373.902 3.224 20 0 FGADHM CC[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1OCCOC)C1CCCC1 ZINC000451996528 501415051 /nfs/dbraw/zinc/41/50/51/501415051.db2.gz QGEPQOWUAHEVQA-OAHLLOKOSA-N -1 3 359.463 3.098 20 0 FGADHM O=S(=O)([N-]CCC[C@@H]1CCOC1)c1cc(C(F)(F)F)ccc1Cl ZINC000452020855 501419721 /nfs/dbraw/zinc/41/97/21/501419721.db2.gz RWNRNFSSGNAXER-SNVBAGLBSA-N -1 3 371.808 3.454 20 0 FGADHM C[C@]1(NC(=O)Cc2csc(NC(=O)c3cccc([O-])c3)n2)CC=CCC1 ZINC000458329528 501421337 /nfs/dbraw/zinc/42/13/37/501421337.db2.gz DUZKRVDZUQYPIR-IBGZPJMESA-N -1 3 371.462 3.259 20 0 FGADHM COC(=O)[C@@H]1CN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C[C@H]1C ZINC000592808616 506252906 /nfs/dbraw/zinc/25/29/06/506252906.db2.gz GWCFCEJIWGUPFS-CXAGYDPISA-N -1 3 355.390 3.066 20 0 FGADHM COCCOc1ccc(F)cc1S(=O)(=O)[N-][C@H](C)c1cccc(C)c1 ZINC000452110795 501437365 /nfs/dbraw/zinc/43/73/65/501437365.db2.gz ZYMYTQNBFXGWJZ-CQSZACIVSA-N -1 3 367.442 3.199 20 0 FGADHM O=C(CCCc1ccc([O-])c(F)c1)NCc1cc(Br)ccn1 ZINC000452143607 501445074 /nfs/dbraw/zinc/44/50/74/501445074.db2.gz CSXJBSGVTFFISV-UHFFFAOYSA-N -1 3 367.218 3.328 20 0 FGADHM Cc1nc(-c2ccc(NC(=O)NCCCC3CCOCC3)cc2)cc(=O)[n-]1 ZINC000454262287 501495577 /nfs/dbraw/zinc/49/55/77/501495577.db2.gz ITCWPKWHHUTVBC-UHFFFAOYSA-N -1 3 370.453 3.486 20 0 FGADHM CC(C)c1ncsc1NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000456433781 501524874 /nfs/dbraw/zinc/52/48/74/501524874.db2.gz GQSVYHJJZMXACT-CYBMUJFWSA-N -1 3 359.451 3.215 20 0 FGADHM COc1cc(C(=O)N[C@H]2CCO[C@@H](c3cccs3)C2)cc(OC)c1[O-] ZINC000456531179 501542869 /nfs/dbraw/zinc/54/28/69/501542869.db2.gz JGUNRCJEFLVRSL-QWHCGFSZSA-N -1 3 363.435 3.121 20 0 FGADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@H]1CCCc2nc[nH]c21 ZINC000452746168 501554962 /nfs/dbraw/zinc/55/49/62/501554962.db2.gz FZNGHRFMTRVKHQ-VIFPVBQESA-N -1 3 350.216 3.245 20 0 FGADHM COC[C@H](CNC(=O)Cc1ccc([O-])c(F)c1)c1ccc(Cl)cc1 ZINC000452747698 501555487 /nfs/dbraw/zinc/55/54/87/501555487.db2.gz ISHIRGOYFZDLTK-AWEZNQCLSA-N -1 3 351.805 3.274 20 0 FGADHM C[C@H]1CN(CC(F)(F)F)CCN(C(=O)c2cc3c(cc2[O-])CCCC3)C1 ZINC000456652985 501567614 /nfs/dbraw/zinc/56/76/14/501567614.db2.gz MPCJXQNEABXCCL-ZDUSSCGKSA-N -1 3 370.415 3.227 20 0 FGADHM CC[C@@H](NC(=O)c1cc(OCc2ccccc2)ccc1[O-])[C@H](O)C(F)F ZINC000452943006 501590346 /nfs/dbraw/zinc/59/03/46/501590346.db2.gz RIEACQVGHPCMFX-WBVHZDCISA-N -1 3 365.376 3.106 20 0 FGADHM COC(=O)[C@@H]1CN(C(=O)Cc2ccc([O-])cc2Cl)C[C@@H]1c1ccccc1 ZINC000456923390 501620072 /nfs/dbraw/zinc/62/00/72/501620072.db2.gz AOZAKVFIYBXPTC-IAGOWNOFSA-N -1 3 373.836 3.003 20 0 FGADHM COc1ccc([C@@H](CO)N(C)Cc2cccc([O-])c2Br)cc1 ZINC000459354155 501637802 /nfs/dbraw/zinc/63/78/02/501637802.db2.gz RXKSAQSAEVXMLV-OAHLLOKOSA-N -1 3 366.255 3.329 20 0 FGADHM Cc1cc(-c2noc([C@@H](C)NCc3cc(=O)[n-]c(C4CC4)n3)n2)ccc1F ZINC000459400556 501647141 /nfs/dbraw/zinc/64/71/41/501647141.db2.gz LAHBKEXDFRBQCO-LLVKDONJSA-N -1 3 369.400 3.408 20 0 FGADHM Cn1nc([C@H]2CCCOC2)cc1NCc1cccc([O-])c1Br ZINC000459498947 501664423 /nfs/dbraw/zinc/66/44/23/501664423.db2.gz CXIUKSKECQASDJ-LBPRGKRZSA-N -1 3 366.259 3.394 20 0 FGADHM Cc1ccncc1N1CCN(Cc2cccc([O-])c2Br)CC1 ZINC000459521210 501669067 /nfs/dbraw/zinc/66/90/67/501669067.db2.gz DJOUXBQJPYKWLO-UHFFFAOYSA-N -1 3 362.271 3.180 20 0 FGADHM C[C@](CO)(NCc1cc(=O)[n-]c(C2CC2)n1)c1cc(Cl)cc(Cl)c1 ZINC000459527439 501669915 /nfs/dbraw/zinc/66/99/15/501669915.db2.gz YTVHHGMATOFDCM-QGZVFWFLSA-N -1 3 368.264 3.364 20 0 FGADHM CCOc1cc(CN2C[C@@H](CC)O[C@@]3(CCOC3)C2)cc(Cl)c1[O-] ZINC000459527644 501670204 /nfs/dbraw/zinc/67/02/04/501670204.db2.gz NHJNRKVVQAJFNK-KDOFPFPSSA-N -1 3 355.862 3.214 20 0 FGADHM [O-]c1cccc(CN2CC[C@@H](c3nc(C4CC4)no3)C2)c1Br ZINC000459533148 501671378 /nfs/dbraw/zinc/67/13/78/501671378.db2.gz JSZIBAMYVHZYLT-GFCCVEGCSA-N -1 3 364.243 3.405 20 0 FGADHM CCOc1cc(CN2CCN(c3cnccc3C)CC2)cc(Cl)c1[O-] ZINC000459546315 501674245 /nfs/dbraw/zinc/67/42/45/501674245.db2.gz UKALOKZQUULQBR-UHFFFAOYSA-N -1 3 361.873 3.470 20 0 FGADHM CC(C)(NCc1cccc([O-])c1Br)c1nnc2n1CCCC2 ZINC000459586674 501682120 /nfs/dbraw/zinc/68/21/20/501682120.db2.gz VWOBVOXZQNAAQY-UHFFFAOYSA-N -1 3 365.275 3.107 20 0 FGADHM Cc1cc(C(=O)N2CCCC[C@H]2c2nc3cc(Cl)ccc3[nH]2)[n-]c(=O)n1 ZINC000457391773 501692226 /nfs/dbraw/zinc/69/22/26/501692226.db2.gz YZDSUBRWVCGAGU-HNNXBMFYSA-N -1 3 371.828 3.388 20 0 FGADHM COC(=O)c1c(F)ccc([N-]C(=O)c2snnc2C(C)(C)C)c1F ZINC000485150954 501739678 /nfs/dbraw/zinc/73/96/78/501739678.db2.gz VTEKJBXNSVNLHR-UHFFFAOYSA-N -1 3 355.366 3.153 20 0 FGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@H](C)c1cnn(C)c1 ZINC000470601800 501739879 /nfs/dbraw/zinc/73/98/79/501739879.db2.gz QSULRFMVSNWRNK-SNVBAGLBSA-N -1 3 353.831 3.168 20 0 FGADHM Cc1ccccc1-c1cc(=NC(=O)[C@H](O)Cc2ccccc2Cl)[nH][n-]1 ZINC000477619644 501740524 /nfs/dbraw/zinc/74/05/24/501740524.db2.gz SBYKUHIRNSMYQR-QGZVFWFLSA-N -1 3 355.825 3.003 20 0 FGADHM CCN=c1[n-]c(C(=O)N2CCC(Cc3ccc(F)c(F)c3)CC2)cs1 ZINC000470702737 501774658 /nfs/dbraw/zinc/77/46/58/501774658.db2.gz FJCZUTMPSTYQDX-UHFFFAOYSA-N -1 3 365.449 3.370 20 0 FGADHM CC(C)(C)CC[C@H](CO)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000481489433 501789357 /nfs/dbraw/zinc/78/93/57/501789357.db2.gz HGHLOZREUHTCLX-SNVBAGLBSA-N -1 3 354.299 3.459 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]CCc2cccc(OCC(F)(F)F)c2)o1 ZINC000481497085 501791583 /nfs/dbraw/zinc/79/15/83/501791583.db2.gz WWOCWEYCINQLAE-UHFFFAOYSA-N -1 3 363.357 3.050 20 0 FGADHM CC(C)Cn1cnc(S(=O)(=O)[N-][C@H]2CC[C@H](c3ccccc3F)C2)c1 ZINC000481587768 501823690 /nfs/dbraw/zinc/82/36/90/501823690.db2.gz QRBVPGXWESKNLD-GJZGRUSLSA-N -1 3 365.474 3.293 20 0 FGADHM O=C(Cc1ccc(Br)cc1[O-])N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC000477986466 501846752 /nfs/dbraw/zinc/84/67/52/501846752.db2.gz PKMLCLNDHIRVRA-FHLIZLRMSA-N -1 3 358.235 3.152 20 0 FGADHM Cc1ccc(-c2ccnn2C)cc1NC(=O)c1n[n-]nc1-c1ccccc1 ZINC000467704870 501847951 /nfs/dbraw/zinc/84/79/51/501847951.db2.gz JBJUWDXAFNZXJE-UHFFFAOYSA-N -1 3 358.405 3.433 20 0 FGADHM CCc1c(C(=O)N=c2cc(-c3cc(F)cc(F)c3)[n-][nH]2)[nH]c(C)c1C(C)=O ZINC000467708804 501849549 /nfs/dbraw/zinc/84/95/49/501849549.db2.gz LPKBGZYWEIGHPQ-UHFFFAOYSA-N -1 3 372.375 3.431 20 0 FGADHM O=C(N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1)[C@H]1CCOc2ccccc21 ZINC000467719702 501854155 /nfs/dbraw/zinc/85/41/55/501854155.db2.gz DXFPMMLGFOWGIB-HNNXBMFYSA-N -1 3 355.344 3.282 20 0 FGADHM CCOC(=O)c1c2ccccc2sc1[N-]C(=O)c1cncc(OC)n1 ZINC000485578040 501866626 /nfs/dbraw/zinc/86/66/26/501866626.db2.gz MPYGAXLYUVMDGO-UHFFFAOYSA-N -1 3 357.391 3.129 20 0 FGADHM COC(=O)c1cc(F)cc([N-]C(=O)c2cccc(OC(C)C)n2)c1F ZINC000478093910 501879686 /nfs/dbraw/zinc/87/96/86/501879686.db2.gz VHKQXADKLZFHNS-UHFFFAOYSA-N -1 3 350.321 3.186 20 0 FGADHM C[C@H](c1ccccc1)[C@@](C)(O)C(=O)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1 ZINC000467805832 501879838 /nfs/dbraw/zinc/87/98/38/501879838.db2.gz FYVZYSDKEWMIQN-MPBGBICISA-N -1 3 371.387 3.270 20 0 FGADHM Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)c2ccc3c(c2)C(=O)[N-]C3=O)cc1 ZINC000464050487 501884917 /nfs/dbraw/zinc/88/49/17/501884917.db2.gz DMDIGLRFTCVULL-QFBILLFUSA-N -1 3 362.429 3.287 20 0 FGADHM CCc1cc(C(=O)N2CCCN(C(=O)c3cccc(C)c3)CC2)ccc1[O-] ZINC000485646390 501886745 /nfs/dbraw/zinc/88/67/45/501886745.db2.gz XJSXHZVWCVHXLF-UHFFFAOYSA-N -1 3 366.461 3.251 20 0 FGADHM Cc1ccc(NC(=O)c2cc3cc(Cl)sc3[n-]2)cc1-n1cnnn1 ZINC000485664040 501893061 /nfs/dbraw/zinc/89/30/61/501893061.db2.gz IDSUCKJEJKYISV-UHFFFAOYSA-N -1 3 358.814 3.419 20 0 FGADHM C[C@H](C(=O)Nc1ccccc1[N-]S(C)(=O)=O)c1cccc(Cl)c1 ZINC000460689681 501896877 /nfs/dbraw/zinc/89/68/77/501896877.db2.gz MQQYRHXLDBNEQR-NSHDSACASA-N -1 3 352.843 3.454 20 0 FGADHM O=C(CCc1ccc(-c2ccccc2)[nH]1)NCc1nnc(C(F)(F)F)[n-]1 ZINC000481913674 501916501 /nfs/dbraw/zinc/91/65/01/501916501.db2.gz GTBYOPDTPVMEKY-UHFFFAOYSA-N -1 3 363.343 3.068 20 0 FGADHM O=C(CCc1ccc(-c2ccccc2)[nH]1)NCc1n[n-]c(C(F)(F)F)n1 ZINC000481913674 501916502 /nfs/dbraw/zinc/91/65/02/501916502.db2.gz GTBYOPDTPVMEKY-UHFFFAOYSA-N -1 3 363.343 3.068 20 0 FGADHM O=C(CCc1ccc(-c2ccccc2)[nH]1)NCc1nc(C(F)(F)F)n[n-]1 ZINC000481913674 501916506 /nfs/dbraw/zinc/91/65/06/501916506.db2.gz GTBYOPDTPVMEKY-UHFFFAOYSA-N -1 3 363.343 3.068 20 0 FGADHM CCCCn1cc(C[N-]S(=O)(=O)c2c(F)cccc2Cl)c(C)n1 ZINC000464186616 501917398 /nfs/dbraw/zinc/91/73/98/501917398.db2.gz LTOUPEWNMCAYKK-UHFFFAOYSA-N -1 3 359.854 3.263 20 0 FGADHM CCN=c1[n-]c(C(=O)Nc2ccc(-c3cn4c(n3)CCCC4)cc2)cs1 ZINC000478272846 501927613 /nfs/dbraw/zinc/92/76/13/501927613.db2.gz AVTBLZCVMLTJHO-UHFFFAOYSA-N -1 3 367.478 3.449 20 0 FGADHM NC(=O)CCOc1ccccc1NC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000485786444 501936104 /nfs/dbraw/zinc/93/61/04/501936104.db2.gz NPZOBZBGPHALQF-UHFFFAOYSA-N -1 3 363.826 3.389 20 0 FGADHM O=c1[n-]c(CN2CC[C@@H]2c2ccccc2)nc2c1cnn2-c1ccccc1 ZINC000471185225 501949062 /nfs/dbraw/zinc/94/90/62/501949062.db2.gz IFQRJJUKNVPVAM-GOSISDBHSA-N -1 3 357.417 3.468 20 0 FGADHM CCc1ncc(S(=O)(=O)[N-][C@H]2CC(C)(C)Oc3ccccc32)s1 ZINC000460933997 501962050 /nfs/dbraw/zinc/96/20/50/501962050.db2.gz YLOUJNYBQAHRQV-LBPRGKRZSA-N -1 3 352.481 3.286 20 0 FGADHM CCc1ncc(S(=O)(=O)[N-][C@H](c2cccc(C)c2)c2ccccn2)s1 ZINC000460937413 501963438 /nfs/dbraw/zinc/96/34/38/501963438.db2.gz UKPPQODHVQAVTL-GOSISDBHSA-N -1 3 373.503 3.477 20 0 FGADHM CC(C)OCCOCc1cccc(NC(=O)NCc2ncccc2[O-])c1 ZINC000471241381 501965472 /nfs/dbraw/zinc/96/54/72/501965472.db2.gz CIZIMHMZIFHFAN-UHFFFAOYSA-N -1 3 359.426 3.051 20 0 FGADHM CCc1ncc(S(=O)(=O)[N-]C[C@H]2CCC[C@H](C(F)(F)F)C2)s1 ZINC000460941778 501965615 /nfs/dbraw/zinc/96/56/15/501965615.db2.gz ZUASBKIETXHQEV-UWVGGRQHSA-N -1 3 356.435 3.353 20 0 FGADHM O=S(=O)([N-]C[C@@H](OCC1CC1)c1ccc(Cl)cc1)c1cscn1 ZINC000582542982 506285538 /nfs/dbraw/zinc/28/55/38/506285538.db2.gz JRJPHGOSXCGRFV-CQSZACIVSA-N -1 3 372.899 3.243 20 0 FGADHM COCCOc1ccc(C(=O)N=c2cc(-c3ccccc3)[n-][nH]2)c(Cl)c1 ZINC000474861663 501974386 /nfs/dbraw/zinc/97/43/86/501974386.db2.gz QTIQPAMVBIOWCO-UHFFFAOYSA-N -1 3 371.824 3.430 20 0 FGADHM Cc1c(NC(=O)NCc2ncccc2[O-])cccc1OCC(F)(F)F ZINC000471279310 501977242 /nfs/dbraw/zinc/97/72/42/501977242.db2.gz VFSNMYCSPNMYRU-UHFFFAOYSA-N -1 3 355.316 3.358 20 0 FGADHM O=C(NCc1ncccc1[O-])Nc1ccnc(Sc2ccccn2)c1 ZINC000471288672 501979730 /nfs/dbraw/zinc/97/97/30/501979730.db2.gz SBVOABXUICVODD-UHFFFAOYSA-N -1 3 353.407 3.050 20 0 FGADHM C[C@@H]1C[C@H](C)[C@@H](C)N(C(=O)N=c2cc3ccc(Br)cn3[n-]2)C1 ZINC000482126662 501982909 /nfs/dbraw/zinc/98/29/09/501982909.db2.gz AOBVTBNPUDJYTI-GRYCIOLGSA-N -1 3 365.275 3.417 20 0 FGADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)c2cnn(C(C)C)c2)[nH][n-]1 ZINC000471312524 501987706 /nfs/dbraw/zinc/98/77/06/501987706.db2.gz AQNBXDPVNLKGLI-UHFFFAOYSA-N -1 3 359.817 3.190 20 0 FGADHM C[C@@H](NC(=O)N=c1cc2ccc(Br)cn2[n-]1)c1cccs1 ZINC000482164823 501993859 /nfs/dbraw/zinc/99/38/59/501993859.db2.gz BYPIKELLXJSIMF-SECBINFHSA-N -1 3 365.256 3.463 20 0 FGADHM CCN(CC)C(=O)Nc1ccc([C@H](C)NC(=O)c2csc(=O)[n-]2)cc1 ZINC000471354499 501996617 /nfs/dbraw/zinc/99/66/17/501996617.db2.gz JOAUHYPZKAJBSR-NSHDSACASA-N -1 3 362.455 3.213 20 0 FGADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)c1ccc(CCC(F)(F)F)cc1 ZINC000482229106 502012703 /nfs/dbraw/zinc/01/27/03/502012703.db2.gz MWVJRYDEDIUQSP-UHFFFAOYSA-N -1 3 366.265 3.248 20 0 FGADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)c1ccc(CCC(F)(F)F)cc1 ZINC000482229106 502012707 /nfs/dbraw/zinc/01/27/07/502012707.db2.gz MWVJRYDEDIUQSP-UHFFFAOYSA-N -1 3 366.265 3.248 20 0 FGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1ccc(CCC(F)(F)F)cc1 ZINC000482229106 502012714 /nfs/dbraw/zinc/01/27/14/502012714.db2.gz MWVJRYDEDIUQSP-UHFFFAOYSA-N -1 3 366.265 3.248 20 0 FGADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)c1cccc(Nc2ccccc2)c1 ZINC000482232139 502014097 /nfs/dbraw/zinc/01/40/97/502014097.db2.gz ZOCQDVBROKMSOE-UHFFFAOYSA-N -1 3 361.327 3.497 20 0 FGADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)c1cccc(Nc2ccccc2)c1 ZINC000482232139 502014099 /nfs/dbraw/zinc/01/40/99/502014099.db2.gz ZOCQDVBROKMSOE-UHFFFAOYSA-N -1 3 361.327 3.497 20 0 FGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1cccc(Nc2ccccc2)c1 ZINC000482232139 502014102 /nfs/dbraw/zinc/01/41/02/502014102.db2.gz ZOCQDVBROKMSOE-UHFFFAOYSA-N -1 3 361.327 3.497 20 0 FGADHM O=c1cc(C=Cc2cnc(C(F)(F)F)s2)nc(-c2ccncc2)[n-]1 ZINC000486007079 502016974 /nfs/dbraw/zinc/01/69/74/502016974.db2.gz 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365.426 3.066 20 0 FGADHM O=S(=O)([N-]Cc1ccc2ncccc2c1)c1cnccc1C(F)(F)F ZINC000480742720 502658235 /nfs/dbraw/zinc/65/82/35/502658235.db2.gz SEFHXWLSGDQRPT-UHFFFAOYSA-N -1 3 367.352 3.127 20 0 FGADHM COc1cc(Cl)c(Br)cc1C(=O)NCc1ncccc1[O-] ZINC000473643906 502665739 /nfs/dbraw/zinc/66/57/39/502665739.db2.gz TZUYQNNXYOBUKE-UHFFFAOYSA-N -1 3 371.618 3.142 20 0 FGADHM O=C(Nc1cc2c(cc1F)NC(=O)CC2)c1cn[n-]c1-c1ccsc1 ZINC000477095203 502675720 /nfs/dbraw/zinc/67/57/20/502675720.db2.gz YZQCBKFDYQTFPI-UHFFFAOYSA-N -1 3 356.382 3.414 20 0 FGADHM O=C(Nc1cc2c(cc1F)NC(=O)CC2)c1c[n-]nc1-c1ccsc1 ZINC000477095203 502675724 /nfs/dbraw/zinc/67/57/24/502675724.db2.gz YZQCBKFDYQTFPI-UHFFFAOYSA-N -1 3 356.382 3.414 20 0 FGADHM CCN(C)[C@@H](C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1ccccc1 ZINC000477121715 502684295 /nfs/dbraw/zinc/68/42/95/502684295.db2.gz GRMDNBXPSXHTNJ-LJQANCHMSA-N -1 3 350.422 3.414 20 0 FGADHM CC(C)OCCS(=O)(=O)[N-]c1ccc(CN2CCc3ccccc32)cc1 ZINC000484633719 502689911 /nfs/dbraw/zinc/68/99/11/502689911.db2.gz BNOHMAMKFVJHMM-UHFFFAOYSA-N -1 3 374.506 3.416 20 0 FGADHM Cc1nc(-c2ccc(C[N-]S(=O)(=O)c3cc(F)cc(F)c3)o2)cs1 ZINC000477148390 502691290 /nfs/dbraw/zinc/69/12/90/502691290.db2.gz HOCFLWPYMBTEHT-UHFFFAOYSA-N -1 3 370.402 3.468 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)Nc1ccccc1 ZINC000480896573 502699632 /nfs/dbraw/zinc/69/96/32/502699632.db2.gz WYBKXCGDDNKMQC-SNVBAGLBSA-N -1 3 373.261 3.299 20 0 FGADHM COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)NCc1ncccc1[O-] ZINC000470254260 502717888 /nfs/dbraw/zinc/71/78/88/502717888.db2.gz JISIZDPYUOCBKY-NSHDSACASA-N -1 3 365.817 3.176 20 0 FGADHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)c1occc1COc1ccccc1 ZINC000473849809 502723941 /nfs/dbraw/zinc/72/39/41/502723941.db2.gz LZSYROQXVYJREP-MRXNPFEDSA-N -1 3 353.378 3.107 20 0 FGADHM O=C(Cc1ccc(Br)cc1[O-])NCCc1c(F)cccc1F ZINC000477269942 502724491 /nfs/dbraw/zinc/72/44/91/502724491.db2.gz BHJXUXIKLQYPMH-UHFFFAOYSA-N -1 3 370.193 3.334 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]C[C@H]2CCCO[C@H]2C(C)C)sc1Cl ZINC000473859590 502728407 /nfs/dbraw/zinc/72/84/07/502728407.db2.gz OTZSGVCFPXPGLS-YPMHNXCESA-N -1 3 351.921 3.439 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2CCCO[C@H]2C(C)C)sc1Cl ZINC000473859583 502728528 /nfs/dbraw/zinc/72/85/28/502728528.db2.gz OTZSGVCFPXPGLS-AAEUAGOBSA-N -1 3 351.921 3.439 20 0 FGADHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-]CCCCC(C)(C)C)s1 ZINC000484785180 502740311 /nfs/dbraw/zinc/74/03/11/502740311.db2.gz FFROQTCKDOHIKA-UHFFFAOYSA-N -1 3 363.501 3.038 20 0 FGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@@H]2CCCSC2)cc1Cl ZINC000484792396 502740699 /nfs/dbraw/zinc/74/06/99/502740699.db2.gz YGWGDFDSINCQEX-MRVPVSSYSA-N -1 3 356.296 3.176 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]C[C@@H](Cc2ccccc2)N(C)C)sc1Cl ZINC000473909024 502745435 /nfs/dbraw/zinc/74/54/35/502745435.db2.gz HRFGOUIMIQBXFL-CQSZACIVSA-N -1 3 372.943 3.161 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]Cc2cccc(Br)c2)c(F)c1 ZINC000481078845 502748925 /nfs/dbraw/zinc/74/89/25/502748925.db2.gz WZVOZRNOAGXFKH-UHFFFAOYSA-N -1 3 374.231 3.075 20 0 FGADHM CCc1cc(=O)[n-]c(CSCC(=O)NCCCC2CCCCC2)n1 ZINC000477348848 502749710 /nfs/dbraw/zinc/74/97/10/502749710.db2.gz HLASKZITWZIJDV-UHFFFAOYSA-N -1 3 351.516 3.455 20 0 FGADHM CCOc1ccccc1NC(=O)[C@H](C)SCc1nc(CC)cc(=O)[n-]1 ZINC000477350528 502750603 /nfs/dbraw/zinc/75/06/03/502750603.db2.gz HKBYGNFNBQTXKL-LBPRGKRZSA-N -1 3 361.467 3.404 20 0 FGADHM COC[C@H](NC(=O)Cc1ccc(Br)cc1[O-])c1ccc(C)o1 ZINC000477354597 502752317 /nfs/dbraw/zinc/75/23/17/502752317.db2.gz PDDMVWYZMJQYMS-ZDUSSCGKSA-N -1 3 368.227 3.103 20 0 FGADHM Cc1ccccc1[C@H]([C@H](C)[N-]S(=O)(=O)c1ccccc1F)N(C)C ZINC000473948425 502758599 /nfs/dbraw/zinc/75/85/99/502758599.db2.gz DCVMDQITQRKOMM-KSSFIOAISA-N -1 3 350.459 3.104 20 0 FGADHM Cc1ccccc1[C@@H]([C@H](C)[N-]S(=O)(=O)c1cc(F)ccc1F)N(C)C ZINC000473957273 502762376 /nfs/dbraw/zinc/76/23/76/502762376.db2.gz PHJQNRWPGBBEHP-SCLBCKFNSA-N -1 3 368.449 3.243 20 0 FGADHM CN(Cc1cc(Cl)cn1C)C(=O)Cc1ccc(Br)cc1[O-] ZINC000477405997 502766513 /nfs/dbraw/zinc/76/65/13/502766513.db2.gz PBUIRDBNTMYNTA-UHFFFAOYSA-N -1 3 371.662 3.348 20 0 FGADHM C[C@H](Oc1ccc(F)cc1)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000488654963 502774606 /nfs/dbraw/zinc/77/46/06/502774606.db2.gz KZDQDMYPUGFGJX-JTQLQIEISA-N -1 3 368.202 3.378 20 0 FGADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)Nc1ccc(CC(F)(F)F)cc1 ZINC000481219149 502786973 /nfs/dbraw/zinc/78/69/73/502786973.db2.gz BZNNAHRIVIEAHE-UHFFFAOYSA-N -1 3 367.253 3.250 20 0 FGADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)Nc1ccc(CC(F)(F)F)cc1 ZINC000481219149 502786978 /nfs/dbraw/zinc/78/69/78/502786978.db2.gz BZNNAHRIVIEAHE-UHFFFAOYSA-N -1 3 367.253 3.250 20 0 FGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)Nc1ccc(CC(F)(F)F)cc1 ZINC000481219149 502786983 /nfs/dbraw/zinc/78/69/83/502786983.db2.gz BZNNAHRIVIEAHE-UHFFFAOYSA-N -1 3 367.253 3.250 20 0 FGADHM COC(=O)[C@H](CS(=O)(=O)[N-]c1cccc(Cl)c1)c1ccccc1 ZINC000477505914 502792180 /nfs/dbraw/zinc/79/21/80/502792180.db2.gz SKJPCZBJJHFPOP-OAHLLOKOSA-N -1 3 353.827 3.039 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)c2ccc(Br)cn2)c(F)c1 ZINC000481248337 502796587 /nfs/dbraw/zinc/79/65/87/502796587.db2.gz BDIRBCNPGDKAJS-JTQLQIEISA-N -1 3 373.247 3.331 20 0 FGADHM CCn1cnc(S(=O)(=O)[N-]C[C@H](C)c2c(Cl)cccc2Cl)c1 ZINC000474083636 502803287 /nfs/dbraw/zinc/80/32/87/502803287.db2.gz PQBHYBQKKBTLCL-JTQLQIEISA-N -1 3 362.282 3.292 20 0 FGADHM C[C@H]1[C@H](CO)CCN1Cc1nc(=O)c2cc(-c3ccccc3)sc2[n-]1 ZINC000488802174 502811770 /nfs/dbraw/zinc/81/17/70/502811770.db2.gz WDIZIDWZOQVSIM-JSGCOSHPSA-N -1 3 355.463 3.267 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H](COC)Cc3ccccc3)nc2)n1 ZINC000474155507 502816262 /nfs/dbraw/zinc/81/62/62/502816262.db2.gz CAOKBHWVKBKZSC-SFHVURJKSA-N -1 3 364.449 3.476 20 0 FGADHM COc1cc(F)c(S(=O)(=O)[N-][C@H]2CCCC[C@@H]2C(C)C)cc1OC ZINC000488820915 502818267 /nfs/dbraw/zinc/81/82/67/502818267.db2.gz DOZHGFOJHLFFTL-OCCSQVGLSA-N -1 3 359.463 3.336 20 0 FGADHM COC(=O)C[C@@H](NC(=O)Cc1ccc([O-])cc1Cl)c1ccc(F)cc1 ZINC000509091674 502819065 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Cc1ccc(S(=O)(=O)[N-][C@]2(C(F)(F)F)CCc3ccccc32)cn1 ZINC000509225781 502854274 /nfs/dbraw/zinc/85/42/74/502854274.db2.gz SUZJJRWCRUBDOC-OAHLLOKOSA-N -1 3 356.369 3.072 20 0 FGADHM O=C(Cc1ccc([O-])cc1Cl)Nc1ccn(-c2ccccc2Cl)n1 ZINC000509276698 502865333 /nfs/dbraw/zinc/86/53/33/502865333.db2.gz ZSHLSINDPIIINP-UHFFFAOYSA-N -1 3 362.216 3.488 20 0 FGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]C(C)(C)c1ccccc1 ZINC000513173017 502868845 /nfs/dbraw/zinc/86/88/45/502868845.db2.gz WWFJQYSHLFSBJV-UHFFFAOYSA-N -1 3 367.854 3.340 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)COc3ccsc3)c2)n1 ZINC000500870354 502882059 /nfs/dbraw/zinc/88/20/59/502882059.db2.gz GYXXLKHQCGJQKI-UHFFFAOYSA-N -1 3 355.419 3.491 20 0 FGADHM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3ccc(OC(F)F)cc3F)cc2o1 ZINC000509396310 502891104 /nfs/dbraw/zinc/89/11/04/502891104.db2.gz JOHGFLLYJCMEDV-UHFFFAOYSA-N -1 3 374.296 3.075 20 0 FGADHM CCN(C(=O)c1cc(C)nc(=O)[n-]1)[C@H](c1ccc(C)cc1)c1cccnc1 ZINC000496499764 502892300 /nfs/dbraw/zinc/89/23/00/502892300.db2.gz VVEHRJGIIGKCGB-LJQANCHMSA-N -1 3 362.433 3.446 20 0 FGADHM COc1ccc([O-])c(C(=O)N2CCc3c(ncn3-c3ccc(C)cc3)C2)c1 ZINC000489466328 502965235 /nfs/dbraw/zinc/96/52/35/502965235.db2.gz QKFANTLQCYYFHH-UHFFFAOYSA-N -1 3 363.417 3.093 20 0 FGADHM C[C@H](Cn1cccn1)NCc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000501253520 502968260 /nfs/dbraw/zinc/96/82/60/502968260.db2.gz ZNXYTYQGNBDFOH-LLVKDONJSA-N -1 3 355.423 3.032 20 0 FGADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)NC[C@@H]1CCCC(F)(F)C1 ZINC000505697764 502968469 /nfs/dbraw/zinc/96/84/69/502968469.db2.gz MTPKAWZBVQEGSL-SNVBAGLBSA-N -1 3 364.396 3.107 20 0 FGADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000509731874 502976850 /nfs/dbraw/zinc/97/68/50/502976850.db2.gz WWSRHEREFFTWON-WCQYABFASA-N -1 3 360.357 3.145 20 0 FGADHM O=S(=O)([N-]C[C@@H](OCC1CC1)c1ccc(Cl)cc1)c1ccco1 ZINC000509783220 502984906 /nfs/dbraw/zinc/98/49/06/502984906.db2.gz ORSMVQNNQXPJEC-OAHLLOKOSA-N -1 3 355.843 3.379 20 0 FGADHM O=S(=O)([N-]C[C@@H]1CCSC1)c1cc(Cl)ccc1C(F)(F)F ZINC000509787777 502985783 /nfs/dbraw/zinc/98/57/83/502985783.db2.gz OJVGZKNRNUOZIT-QMMMGPOBSA-N -1 3 359.822 3.390 20 0 FGADHM COc1cc(C(=O)NCCCC(=O)Nc2ccc(Cl)cc2)ccc1[O-] ZINC000509796279 502987883 /nfs/dbraw/zinc/98/78/83/502987883.db2.gz WHPDKABCCZPCMH-UHFFFAOYSA-N -1 3 362.813 3.203 20 0 FGADHM C[C@@]1(C[N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)CCCS1 ZINC000489609112 502997524 /nfs/dbraw/zinc/99/75/24/502997524.db2.gz RFSSXQGKTPVGEC-LBPRGKRZSA-N -1 3 373.393 3.288 20 0 FGADHM Cc1nc(CCNC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)cs1 ZINC000509888683 503005925 /nfs/dbraw/zinc/00/59/25/503005925.db2.gz CHDVYJFASPVIKX-UHFFFAOYSA-N -1 3 369.450 3.287 20 0 FGADHM COc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2COc3c2ccc(C)c3C)c1 ZINC000489677465 503009098 /nfs/dbraw/zinc/00/90/98/503009098.db2.gz MOIFRFIRQFZRJK-HNNXBMFYSA-N -1 3 367.854 3.377 20 0 FGADHM O=S(=O)([N-]CC1(CCO)CCC1)c1cc(Cl)ccc1C(F)(F)F ZINC000509925014 503012892 /nfs/dbraw/zinc/01/28/92/503012892.db2.gz 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CCCCCc1ccc(NC(=O)[C@H]([N-]S(C)(=O)=O)[C@H](C)CC)cc1 ZINC000510185021 503066632 /nfs/dbraw/zinc/06/66/32/503066632.db2.gz YZRAHZIEEZZZNE-RHSMWYFYSA-N -1 3 354.516 3.322 20 0 FGADHM Cn1cc(-c2nn(C)cc2C(=O)Nc2ccc(C(C)(C)C)cc2[O-])cn1 ZINC000506223758 503072399 /nfs/dbraw/zinc/07/23/99/503072399.db2.gz MHFVGBDGBXXSAS-UHFFFAOYSA-N -1 3 353.426 3.076 20 0 FGADHM CC(C)Cc1cccc([C@@H](C)C(=O)NCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000510267446 503082742 /nfs/dbraw/zinc/08/27/42/503082742.db2.gz LJCFBRDIUVWRSE-OAHLLOKOSA-N -1 3 363.465 3.485 20 0 FGADHM CC(C)Cc1cccc([C@@H](C)C(=O)NCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000510267446 503082748 /nfs/dbraw/zinc/08/27/48/503082748.db2.gz LJCFBRDIUVWRSE-OAHLLOKOSA-N -1 3 363.465 3.485 20 0 FGADHM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)c2cccc(SC)c2)o1 ZINC000510327028 503093116 /nfs/dbraw/zinc/09/31/16/503093116.db2.gz XWPFSMLEODQIRH-OAHLLOKOSA-N -1 3 355.481 3.230 20 0 FGADHM CC(C)c1nnc(SCC(=O)Nc2ccccc2[O-])n1Cc1ccco1 ZINC000514123461 503093308 /nfs/dbraw/zinc/09/33/08/503093308.db2.gz BRQKHYGBXIPESB-UHFFFAOYSA-N -1 3 372.450 3.479 20 0 FGADHM COc1c(Cl)cc(NC(=O)Cc2c(C)nc(C)[n-]c2=O)cc1Cl ZINC000506322248 503094073 /nfs/dbraw/zinc/09/40/73/503094073.db2.gz PXYRXSHVLRZHMN-UHFFFAOYSA-N -1 3 356.209 3.296 20 0 FGADHM Cc1c(C(=O)Nc2cc(Br)ccc2[O-])sc2nccn12 ZINC000490030908 503094123 /nfs/dbraw/zinc/09/41/23/503094123.db2.gz GFHPMLOGZBJJIA-UHFFFAOYSA-N -1 3 352.213 3.425 20 0 FGADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)CO[C@H]3CCCC[C@@H]3C)cc2)n1 ZINC000498075712 503101415 /nfs/dbraw/zinc/10/14/15/503101415.db2.gz BDBAGAQBWHVKON-GUYCJALGSA-N -1 3 355.438 3.279 20 0 FGADHM COc1cc(C(=O)NC[C@H]2SCCc3ccccc32)cc(OC)c1[O-] ZINC000490061676 503101923 /nfs/dbraw/zinc/10/19/23/503101923.db2.gz OMPFFZIFUZEGJK-QGZVFWFLSA-N -1 3 359.447 3.170 20 0 FGADHM O=S(=O)([N-]Cc1cccc2c1CCCN2)c1cc(F)cc(Cl)c1 ZINC000490088606 503106977 /nfs/dbraw/zinc/10/69/77/503106977.db2.gz PTWMRBKVCNXFON-UHFFFAOYSA-N -1 3 354.834 3.316 20 0 FGADHM 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/nfs/dbraw/zinc/14/42/99/503144299.db2.gz FPPGCHWRUUEAPV-WDEREUQCSA-N -1 3 350.369 3.284 20 0 FGADHM CCC[C@@H]1C[C@@H](C(=O)Nc2nc(-c3c(F)cccc3F)n[n-]2)CCO1 ZINC000506623980 503144305 /nfs/dbraw/zinc/14/43/05/503144305.db2.gz FPPGCHWRUUEAPV-WDEREUQCSA-N -1 3 350.369 3.284 20 0 FGADHM CCC[C@@H]1C[C@@H](C(=O)Nc2n[n-]c(-c3c(F)cccc3F)n2)CCO1 ZINC000506623980 503144309 /nfs/dbraw/zinc/14/43/09/503144309.db2.gz FPPGCHWRUUEAPV-WDEREUQCSA-N -1 3 350.369 3.284 20 0 FGADHM CCC[C@H]1C[C@H](C(=O)Nc2nnc(-c3c(F)cccc3F)[n-]2)CCO1 ZINC000506623978 503144822 /nfs/dbraw/zinc/14/48/22/503144822.db2.gz FPPGCHWRUUEAPV-MNOVXSKESA-N -1 3 350.369 3.284 20 0 FGADHM CCC[C@H]1C[C@H](C(=O)Nc2nc(-c3c(F)cccc3F)n[n-]2)CCO1 ZINC000506623978 503144825 /nfs/dbraw/zinc/14/48/25/503144825.db2.gz FPPGCHWRUUEAPV-MNOVXSKESA-N -1 3 350.369 3.284 20 0 FGADHM CCC[C@H]1C[C@H](C(=O)Nc2n[n-]c(-c3c(F)cccc3F)n2)CCO1 ZINC000506623978 503144827 /nfs/dbraw/zinc/14/48/27/503144827.db2.gz FPPGCHWRUUEAPV-MNOVXSKESA-N -1 3 350.369 3.284 20 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/nfs/dbraw/zinc/16/16/86/503161686.db2.gz AQDAMWWUZPHARA-UHFFFAOYSA-N -1 3 351.362 3.007 20 0 FGADHM Cc1cc2cc(C[N-]S(=O)(=O)c3cc(F)c(F)cc3F)ccc2[nH]1 ZINC000510645399 503163697 /nfs/dbraw/zinc/16/36/97/503163697.db2.gz DARSLMDXGFKQLD-UHFFFAOYSA-N -1 3 354.353 3.372 20 0 FGADHM Cc1nc(-c2ccc(NC(=O)N3CC(C)(C)OC[C@@H]3C)cc2)cc(=O)[n-]1 ZINC000514703248 503171716 /nfs/dbraw/zinc/17/17/16/503171716.db2.gz AUYDZBACVDWITP-LBPRGKRZSA-N -1 3 356.426 3.189 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2cccc(Br)c2)o1 ZINC000514786746 503192581 /nfs/dbraw/zinc/19/25/81/503192581.db2.gz WUVUANGFYQVXQJ-QWHCGFSZSA-N -1 3 356.241 3.185 20 0 FGADHM CCn1cc(S(=O)(=O)[N-][C@@H](c2ccccc2)c2ccc(F)cc2)nc1C ZINC000502418090 503196417 /nfs/dbraw/zinc/19/64/17/503196417.db2.gz IZHKECBOIRSOTN-IBGZPJMESA-N -1 3 373.453 3.418 20 0 FGADHM O=S(=O)([N-]C[C@H]1CCCCO1)c1cc(Cl)ccc1OCCC1CC1 ZINC000490623803 503205716 /nfs/dbraw/zinc/20/57/16/503205716.db2.gz GMTLMTJAHINHGZ-OAHLLOKOSA-N -1 3 373.902 3.366 20 0 FGADHM COc1cc(OC)c(OC)c2[nH]c(C(=O)Nc3c(C)cccc3[O-])cc21 ZINC000490708412 503216779 /nfs/dbraw/zinc/21/67/79/503216779.db2.gz JARFZUSPNXRAIU-UHFFFAOYSA-N -1 3 356.378 3.460 20 0 FGADHM COc1ccc([O-])c(C(=O)N[C@H](CC(=O)OC(C)C)c2ccccc2)c1 ZINC000514907411 503223720 /nfs/dbraw/zinc/22/37/20/503223720.db2.gz WRIVOUWXNDFYCI-QGZVFWFLSA-N -1 3 357.406 3.214 20 0 FGADHM COc1ccc(CC[C@](C)(NCc2nc3ccccc3n2C)C(=O)[O-])cc1 ZINC000514925956 503228920 /nfs/dbraw/zinc/22/89/20/503228920.db2.gz ICCANOHPPCXOID-NRFANRHFSA-N -1 3 367.449 3.148 20 0 FGADHM CCN(CC)c1nc2sc(C(=O)[N-]c3ncncc3OC)cc2s1 ZINC000582673953 506359839 /nfs/dbraw/zinc/35/98/39/506359839.db2.gz HSWFZQRUUHIEPH-UHFFFAOYSA-N -1 3 363.468 3.255 20 0 FGADHM C[C@@H](CC1CCCCC1)NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000515034365 503254907 /nfs/dbraw/zinc/25/49/07/503254907.db2.gz KDKZJEZTKFTGIB-MAUKXSAKSA-N -1 3 358.482 3.472 20 0 FGADHM CCCCN1CCCC[C@@H]1C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000502710146 503256126 /nfs/dbraw/zinc/25/61/26/503256126.db2.gz 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COc1cccc([C@H]2CN(C(=O)c3cc(F)cc4nn[n-]c43)CC2(C)C)c1 ZINC000529729968 503687321 /nfs/dbraw/zinc/68/73/21/503687321.db2.gz VGVLUCBGZOSPJC-MRXNPFEDSA-N -1 3 368.412 3.371 20 0 FGADHM COc1cccc([C@H]2CN(C(=O)c3cc(F)cc4n[n-]nc43)CC2(C)C)c1 ZINC000529729968 503687327 /nfs/dbraw/zinc/68/73/27/503687327.db2.gz VGVLUCBGZOSPJC-MRXNPFEDSA-N -1 3 368.412 3.371 20 0 FGADHM O=S(=O)([N-][C@@H]1C[C@@H]2OCCC[C@H]12)c1c(Cl)ccc2ccccc21 ZINC000527122228 503688946 /nfs/dbraw/zinc/68/89/46/503688946.db2.gz CUSCODDZPWQVKO-BMFZPTHFSA-N -1 3 351.855 3.339 20 0 FGADHM O=S(=O)([N-]C[C@@H](O)CCc1ccccc1)c1cc(Cl)cc(Cl)c1 ZINC000543248435 503697595 /nfs/dbraw/zinc/69/75/95/503697595.db2.gz ASVVBYWSJHQYCK-HNNXBMFYSA-N -1 3 374.289 3.265 20 0 FGADHM Cc1cccc(C)c1CNCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000540203659 503707514 /nfs/dbraw/zinc/70/75/14/503707514.db2.gz OCEFUDDTUBFVAN-UHFFFAOYSA-N -1 3 358.916 3.086 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]Cc2ccc(COCC(F)(F)F)cc2)o1 ZINC000540206029 503708415 /nfs/dbraw/zinc/70/84/15/503708415.db2.gz PCLXDKQWZTWKRZ-UHFFFAOYSA-N -1 3 363.357 3.145 20 0 FGADHM O=S(=O)([N-][C@H]1C[C@@H]1Cc1ccccc1)c1cnccc1C(F)(F)F ZINC000527192594 503713155 /nfs/dbraw/zinc/71/31/55/503713155.db2.gz DNYWLAWTDLEBNF-JSGCOSHPSA-N -1 3 356.369 3.010 20 0 FGADHM Cc1ncc(CNC(=O)Nc2cc(-c3ccccc3)nn2C(C)C)c(=O)[n-]1 ZINC000543301196 503715975 /nfs/dbraw/zinc/71/59/75/503715975.db2.gz FBQOWTKUOPMFFL-UHFFFAOYSA-N -1 3 366.425 3.257 20 0 FGADHM CCc1cc(Br)ccc1NC(=O)NCc1cnc(C)[n-]c1=O ZINC000543316990 503722640 /nfs/dbraw/zinc/72/26/40/503722640.db2.gz MDAQQGVPJOXCQQ-UHFFFAOYSA-N -1 3 365.231 3.137 20 0 FGADHM CC1CCC(Cc2nc(-c3cccc([C@]4(C)NC(=O)[N-]C4=O)c3)no2)CC1 ZINC000546361055 503723596 /nfs/dbraw/zinc/72/35/96/503723596.db2.gz JMYLNJBXJDQDFD-BTYVIFEQSA-N -1 3 368.437 3.160 20 0 FGADHM CN(C)C(=O)c1cccc(CNC(=O)c2cc([O-])ccc2C(F)(F)F)c1 ZINC000527230632 503729449 /nfs/dbraw/zinc/72/94/49/503729449.db2.gz YQOAHKQYOPDXQE-UHFFFAOYSA-N -1 3 366.339 3.043 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)N[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1 ZINC000527231971 503730611 /nfs/dbraw/zinc/73/06/11/503730611.db2.gz DXTLOTSXTWETTL-DZGCQCFKSA-N -1 3 366.339 3.488 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCC[C@@H]2CC=CCC2)c1 ZINC000529866497 503738084 /nfs/dbraw/zinc/73/80/84/503738084.db2.gz IUBMUGKJYRKHQE-CQSZACIVSA-N -1 3 369.421 3.417 20 0 FGADHM Cc1ccc([O-])c(NC(=O)c2csc(I)c2)n1 ZINC000543373361 503743204 /nfs/dbraw/zinc/74/32/04/503743204.db2.gz HUWJKPGUBNLQRD-UHFFFAOYSA-N -1 3 360.176 3.014 20 0 FGADHM CCOc1ccccc1N1C[C@H](C(=O)Nc2ccc(Cl)cc2[O-])CC1=O ZINC000533159612 503745380 /nfs/dbraw/zinc/74/53/80/503745380.db2.gz LKLDQFGZKKUAPR-GFCCVEGCSA-N -1 3 374.824 3.436 20 0 FGADHM Cc1ncc(S(=O)(=O)[N-]CCc2ccc(OCC(C)C)cc2)s1 ZINC000533175088 503749906 /nfs/dbraw/zinc/74/99/06/503749906.db2.gz BFNSWYDFHFOZHG-UHFFFAOYSA-N -1 3 354.497 3.007 20 0 FGADHM CC[C@@H](C[N-]S(=O)(=O)c1cncc(Cl)c1)Oc1cccc(F)c1 ZINC000533175380 503749911 /nfs/dbraw/zinc/74/99/11/503749911.db2.gz SQDHNSFEARKYCZ-ZDUSSCGKSA-N -1 3 358.822 3.010 20 0 FGADHM O=C(c1cc[nH]c1)c1ccc(-c2nc(-c3ccc4n[n-]nc4c3)no2)cc1 ZINC000517466988 503751981 /nfs/dbraw/zinc/75/19/81/503751981.db2.gz SAEWSTUQOURSRA-UHFFFAOYSA-N -1 3 356.345 3.234 20 0 FGADHM COc1cc(C(=O)NCCc2c(C)[nH]c3ccc(F)cc32)cc(OC)c1[O-] ZINC000529943251 503767735 /nfs/dbraw/zinc/76/77/35/503767735.db2.gz ZMDWGNSMDHKKKT-UHFFFAOYSA-N -1 3 372.396 3.311 20 0 FGADHM Cc1cc(CS(=O)(=O)[N-][C@H]2CCCC[C@@H]2Oc2cccc(C)c2)on1 ZINC000533252590 503777182 /nfs/dbraw/zinc/77/71/82/503777182.db2.gz HRVQGYZDDKXCIN-ROUUACIJSA-N -1 3 364.467 3.101 20 0 FGADHM O=c1[n-]c(CN2CCC[C@@H]2c2ccccn2)nc2c1cnn2-c1ccccc1 ZINC000533347725 503814063 /nfs/dbraw/zinc/81/40/63/503814063.db2.gz SYAXAOYKQVGZET-GOSISDBHSA-N -1 3 372.432 3.253 20 0 FGADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000530070448 503823375 /nfs/dbraw/zinc/82/33/75/503823375.db2.gz TUBUAILUXAAZJX-FIAZIHOUSA-N -1 3 369.486 3.109 20 0 FGADHM CS(=O)(=O)[N-]c1ccc(C(=O)NC2(Cc3ccccc3)CCCC2)cc1 ZINC000543603659 503825902 /nfs/dbraw/zinc/82/59/02/503825902.db2.gz RACCTINIQQUATJ-UHFFFAOYSA-N -1 3 372.490 3.343 20 0 FGADHM C[C@H]1CCN(C(=O)C[C@H](NC(N)=O)c2ccccc2)c2c([O-])cccc21 ZINC000546660217 503828209 /nfs/dbraw/zinc/82/82/09/503828209.db2.gz VEOOJLWQRWIRMG-BBRMVZONSA-N -1 3 353.422 3.032 20 0 FGADHM C[C@@H]1CCN(C(=O)C[C@H](NC(N)=O)c2ccccc2)c2c([O-])cccc21 ZINC000546660218 503828701 /nfs/dbraw/zinc/82/87/01/503828701.db2.gz VEOOJLWQRWIRMG-CJNGLKHVSA-N -1 3 353.422 3.032 20 0 FGADHM CCCCn1c(=O)[n-]nc1S[C@H](Cc1ccc(Cl)cc1)C(=O)OC ZINC000543693808 503854323 /nfs/dbraw/zinc/85/43/23/503854323.db2.gz BTYIZBGGMUQSDP-CYBMUJFWSA-N -1 3 369.874 3.314 20 0 FGADHM Cc1cc(C)n(-c2ccc(CN3CCc4occc4[C@H]3C(=O)[O-])cc2)n1 ZINC000530167759 503861549 /nfs/dbraw/zinc/86/15/49/503861549.db2.gz ZKKLYDZZUWSCFC-IBGZPJMESA-N -1 3 351.406 3.266 20 0 FGADHM O=S(=O)([N-][C@H]1CCN(c2ccc(Cl)cc2)C1)c1ccccc1F ZINC000537350441 503886015 /nfs/dbraw/zinc/88/60/15/503886015.db2.gz NLQPKLLPJMBBDY-ZDUSSCGKSA-N -1 3 354.834 3.036 20 0 FGADHM C[C@]1(c2cccc(-c3noc(-c4csc(Cl)c4)n3)c2)NC(=O)[N-]C1=O ZINC000518005762 503886599 /nfs/dbraw/zinc/88/65/99/503886599.db2.gz IXRJVDFUVWWFAB-MRXNPFEDSA-N -1 3 374.809 3.173 20 0 FGADHM CN(C)[C@@H](CNC(=O)c1cc([O-])cc(Br)c1)c1cccs1 ZINC000527679939 503891700 /nfs/dbraw/zinc/89/17/00/503891700.db2.gz ZIXOUQYQIPOSHM-ZDUSSCGKSA-N -1 3 369.284 3.249 20 0 FGADHM COc1cc2c(cc1C(=O)Nc1cc(Br)ccc1[O-])OCO2 ZINC000546837475 503896774 /nfs/dbraw/zinc/89/67/74/503896774.db2.gz VLCMPLWKZKYARS-UHFFFAOYSA-N -1 3 366.167 3.144 20 0 FGADHM Cc1cc(C)c(-c2cc(=NC(=O)Cn3ccc(C(F)F)n3)[nH][n-]2)cc1C ZINC000530262717 503901780 /nfs/dbraw/zinc/90/17/80/503901780.db2.gz YCVDIJDFPNTQKU-UHFFFAOYSA-N -1 3 359.380 3.197 20 0 FGADHM O=C(CNC(=O)c1ccc([O-])cc1)Nc1ccc2c(c1)CCC1(CCC1)O2 ZINC000530266774 503902030 /nfs/dbraw/zinc/90/20/30/503902030.db2.gz QOKRGLJCZJAAPF-UHFFFAOYSA-N -1 3 366.417 3.008 20 0 FGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)C[C@@H]1CCO[C@H](C(C)C)C1 ZINC000543820637 503904555 /nfs/dbraw/zinc/90/45/55/503904555.db2.gz BOWXXUNPBPZEQA-OLZOCXBDSA-N -1 3 352.431 3.194 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@@H]3CCC(=O)C3)cc2)cc1 ZINC000518190768 503923866 /nfs/dbraw/zinc/92/38/66/503923866.db2.gz WKRVADWVRHRILI-CQSZACIVSA-N -1 3 372.446 3.104 20 0 FGADHM O=S(=O)([N-]C[C@@H]1CCOc2ccccc21)c1ccc(Cl)cc1F ZINC000518213750 503928842 /nfs/dbraw/zinc/92/88/42/503928842.db2.gz SXPFPQNJABJYMQ-NSHDSACASA-N -1 3 355.818 3.324 20 0 FGADHM O=S(=O)([N-][C@@H]1CCN(Cc2ccccc2)C1)c1cc(F)cc(Cl)c1 ZINC000533711734 503930109 /nfs/dbraw/zinc/93/01/09/503930109.db2.gz WKIQFHMPLDMFNL-MRXNPFEDSA-N -1 3 368.861 3.032 20 0 FGADHM CC[C@@H](C)n1nc([N-]c2nn3cc(-c4cccnc4)nc3s2)cc1C ZINC000543900077 503933721 /nfs/dbraw/zinc/93/37/21/503933721.db2.gz MUVCFUGIPYISKH-LLVKDONJSA-N -1 3 353.455 3.494 20 0 FGADHM C[C@H]1Oc2ccccc2[C@H]1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)CCC2 ZINC000518262641 503939051 /nfs/dbraw/zinc/93/90/51/503939051.db2.gz SXZIQUGRAJUGHB-BLVKFPJESA-N -1 3 357.431 3.006 20 0 FGADHM C[C@@H](CCc1ccc(Br)cc1)NC(=O)c1cccc2nn[n-]c21 ZINC000540963149 503957051 /nfs/dbraw/zinc/95/70/51/503957051.db2.gz NKDUDCZBCBCHOF-NSHDSACASA-N -1 3 373.254 3.472 20 0 FGADHM C[C@@H](CCc1ccc(Br)cc1)NC(=O)c1cccc2[n-]nnc21 ZINC000540963149 503957053 /nfs/dbraw/zinc/95/70/53/503957053.db2.gz NKDUDCZBCBCHOF-NSHDSACASA-N -1 3 373.254 3.472 20 0 FGADHM C[C@@H](CCc1ccc(Br)cc1)NC(=O)c1cccc2n[n-]nc21 ZINC000540963149 503957060 /nfs/dbraw/zinc/95/70/60/503957060.db2.gz NKDUDCZBCBCHOF-NSHDSACASA-N -1 3 373.254 3.472 20 0 FGADHM Cc1nc(S(=O)(=O)[N-][C@@H](c2ccc(Cl)cc2F)C(C)C)cn1C ZINC000540991676 503967572 /nfs/dbraw/zinc/96/75/72/503967572.db2.gz JCGQEDMFXLZNIY-OAHLLOKOSA-N -1 3 359.854 3.197 20 0 FGADHM C[C@]1(c2cccc(-c3noc(CC4CCCCCC4)n3)c2)NC(=O)[N-]C1=O ZINC000547062097 503971400 /nfs/dbraw/zinc/97/14/00/503971400.db2.gz JHJKXNQUDVOATB-HXUWFJFHSA-N -1 3 368.437 3.304 20 0 FGADHM C[C@@]1(c2cccc(-c3noc(C=CC4CCCCC4)n3)c2)NC(=O)[N-]C1=O ZINC000547072471 503974178 /nfs/dbraw/zinc/97/41/78/503974178.db2.gz JWNJUKGOFHZFSO-CFGKVWFZSA-N -1 3 366.421 3.385 20 0 FGADHM Cc1cccc(S(=O)(=O)[N-]C[C@@H](c2cccs2)N2CCCC2)c1F ZINC000541015953 503975816 /nfs/dbraw/zinc/97/58/16/503975816.db2.gz UGDISXCCLSCPJT-AWEZNQCLSA-N -1 3 368.499 3.311 20 0 FGADHM CN(C)[C@@H](CNC(=O)c1cc([O-])cc(Br)c1)c1ccsc1 ZINC000527864278 503977922 /nfs/dbraw/zinc/97/79/22/503977922.db2.gz FHTUNVXOZUWAOV-AWEZNQCLSA-N -1 3 369.284 3.249 20 0 FGADHM Cc1ccc([O-])c(CN2CCN(C(=O)Cc3cccc(Cl)c3)[C@@H](C)C2)n1 ZINC000537646320 503991224 /nfs/dbraw/zinc/99/12/24/503991224.db2.gz AIBPYOGTJJVYSZ-HNNXBMFYSA-N -1 3 373.884 3.024 20 0 FGADHM CC(C)n1cc(C(=O)[N-]c2nnc([C@@H]3CCCc4ccccc43)s2)nn1 ZINC000518503822 504003132 /nfs/dbraw/zinc/00/31/32/504003132.db2.gz LFKKHEKDRXSHJY-CQSZACIVSA-N -1 3 368.466 3.431 20 0 FGADHM O=S(=O)([N-]C[C@@H]1CCCCS1)c1cc(C(F)(F)F)ccc1F ZINC000544100392 504006767 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20 0 FGADHM COc1ccc(Cn2nccc2NC(=O)c2cc(-c3ccco3)[n-]n2)cc1 ZINC000590712022 506921173 /nfs/dbraw/zinc/92/11/73/506921173.db2.gz NLNDSBRXDGPEIR-UHFFFAOYSA-N -1 3 363.377 3.175 20 0 FGADHM COc1ccc(Cn2nccc2NC(=O)c2cc(-c3ccco3)n[n-]2)cc1 ZINC000590712022 506921179 /nfs/dbraw/zinc/92/11/79/506921179.db2.gz NLNDSBRXDGPEIR-UHFFFAOYSA-N -1 3 363.377 3.175 20 0 FGADHM COC(=O)[C@@H]1CN(C(=O)c2cc(C(C)C)cc(C(C)C)c2[O-])C[C@@H](C)O1 ZINC000600377109 506933230 /nfs/dbraw/zinc/93/32/30/506933230.db2.gz OIYANYNGABCODP-DYVFJYSZSA-N -1 3 363.454 3.042 20 0 FGADHM CC(C)([N-]S(=O)(=O)Cc1cc(-c2ccccc2)no1)c1nccs1 ZINC000604772491 506937219 /nfs/dbraw/zinc/93/72/19/506937219.db2.gz PASULJAZGGAOKK-UHFFFAOYSA-N -1 3 363.464 3.153 20 0 FGADHM O=C([C@H]1CCC(=O)N(c2cccc(F)c2)C1)N1CCCc2cccc([O-])c21 ZINC000613159113 506944739 /nfs/dbraw/zinc/94/47/39/506944739.db2.gz LUDFGEKNPKFHPP-HNNXBMFYSA-N -1 3 368.408 3.254 20 0 FGADHM O=C(CCc1ccccc1N1CCOCC1)N1CCCc2cccc([O-])c21 ZINC000613158467 506944825 /nfs/dbraw/zinc/94/48/25/506944825.db2.gz HZJLCIKURILEEA-UHFFFAOYSA-N -1 3 366.461 3.141 20 0 FGADHM C[C@H]1Cc2ccc(Br)cc2CN1C(=O)Cc1cncc([O-])c1 ZINC000613167353 506949890 /nfs/dbraw/zinc/94/98/90/506949890.db2.gz RQXWOTXILUCDDF-NSHDSACASA-N -1 3 361.239 3.066 20 0 FGADHM Cc1ccc(NC(=O)CS[C@H](C)C(=O)Nc2nc(C)ccc2[O-])cc1 ZINC000583760637 506958040 /nfs/dbraw/zinc/95/80/40/506958040.db2.gz GQADOQAVEOXTOC-CYBMUJFWSA-N -1 3 359.451 3.103 20 0 FGADHM CC(=O)Nc1ccc(S(=O)(=O)[N-][C@H]2CCCC[C@@H]2C(C)C)c(F)c1 ZINC000590796431 506963216 /nfs/dbraw/zinc/96/32/16/506963216.db2.gz IMIOIBAQTMEHBJ-ZBFHGGJFSA-N -1 3 356.463 3.277 20 0 FGADHM Cn1ncc2c1CCCN(C(=O)c1cc(Cc3ccccc3)ccc1[O-])C2 ZINC000583798960 506981180 /nfs/dbraw/zinc/98/11/80/506981180.db2.gz NMBKBIIRYOAWHT-UHFFFAOYSA-N -1 3 361.445 3.305 20 0 FGADHM Cc1cccc2c(CC[N-]S(=O)(=O)c3cn4c(n3)CCC[C@@H]4C)c[nH]c21 ZINC000583801082 506982172 /nfs/dbraw/zinc/98/21/72/506982172.db2.gz PWZOEDCNEHMTJI-AWEZNQCLSA-N -1 3 372.494 3.091 20 0 FGADHM CCOC(=O)[C@H](NC(=O)c1ccc(C(C)=O)c([O-])c1)c1cccc(C)c1C ZINC000597524267 506991263 /nfs/dbraw/zinc/99/12/63/506991263.db2.gz JLDYLUSDHRALHD-LJQANCHMSA-N -1 3 369.417 3.246 20 0 FGADHM C[C@@H](NC(C)(C)C[N-]S(=O)(=O)c1cccc(F)c1F)c1ccccc1 ZINC000591085494 507108679 /nfs/dbraw/zinc/10/86/79/507108679.db2.gz APFOEYWYAXAKIO-CYBMUJFWSA-N -1 3 368.449 3.373 20 0 FGADHM CCC(CC)[C@H](O)CNC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000600828247 507138887 /nfs/dbraw/zinc/13/88/87/507138887.db2.gz UIPPGLQVHLQKIL-QGZVFWFLSA-N -1 3 358.442 3.076 20 0 FGADHM COC(=O)c1cc(S(=O)(=O)N2Cc3ccccc3-c3ccccc32)c[n-]1 ZINC000610261205 507165127 /nfs/dbraw/zinc/16/51/27/507165127.db2.gz HWGRJXJCEWJPLU-UHFFFAOYSA-N -1 3 368.414 3.177 20 0 FGADHM CC(C)(C)[C@@H]1CN(C(=O)CNC(=O)c2ccc([O-])cc2)c2ccccc21 ZINC000584151782 507179533 /nfs/dbraw/zinc/17/95/33/507179533.db2.gz DCCPXIYAVYXSGD-QGZVFWFLSA-N -1 3 352.434 3.299 20 0 FGADHM C[C@@H]1CN(Cc2ccc(C(=O)Nc3c([O-])cccc3F)cc2)C[C@H](C)O1 ZINC000605438385 507192015 /nfs/dbraw/zinc/19/20/15/507192015.db2.gz DSHIRSLGNBAUAL-OKILXGFUSA-N -1 3 358.413 3.393 20 0 FGADHM Cc1nc(C(=O)[N-]c2sc3c(c2C(=O)OC(C)(C)C)CCOC3)co1 ZINC000591312713 507197067 /nfs/dbraw/zinc/19/70/67/507197067.db2.gz PYCLAQLBUYSNEZ-UHFFFAOYSA-N -1 3 364.423 3.325 20 0 FGADHM COC(=O)c1c([N-]C(=O)c2coc(C3CCC3)n2)sc2c1CCOC2 ZINC000591314547 507197182 /nfs/dbraw/zinc/19/71/82/507197182.db2.gz SFJAVVDBMGGVTE-UHFFFAOYSA-N -1 3 362.407 3.115 20 0 FGADHM CC(=O)Nc1cccc(CN[C@H](CSCCc2ccccc2)C(=O)[O-])c1 ZINC000600941656 507200903 /nfs/dbraw/zinc/20/09/03/507200903.db2.gz GMZXDBCICGOHGS-LJQANCHMSA-N -1 3 372.490 3.164 20 0 FGADHM COc1cccc(C(=O)Nc2cc(I)ccc2[O-])c1 ZINC000610486309 507258136 /nfs/dbraw/zinc/25/81/36/507258136.db2.gz REIPMBQLIXDXFL-UHFFFAOYSA-N -1 3 369.158 3.258 20 0 FGADHM COc1ccc(C(=O)Nc2cc(I)ccc2[O-])cc1 ZINC000610486154 507258698 /nfs/dbraw/zinc/25/86/98/507258698.db2.gz NJWXTBBYNLJGAG-UHFFFAOYSA-N -1 3 369.158 3.258 20 0 FGADHM CCN(CC)CC[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000605768131 507283651 /nfs/dbraw/zinc/28/36/51/507283651.db2.gz FTKSHOWMVULGQK-UHFFFAOYSA-N -1 3 373.931 3.084 20 0 FGADHM CCOC(=O)[C@@H](CC)Sc1nc2c(cnn2Cc2ccccc2)c(=O)[n-]1 ZINC000594929335 507319200 /nfs/dbraw/zinc/31/92/00/507319200.db2.gz VMZTZMATIUVOPY-CQSZACIVSA-N -1 3 372.450 3.014 20 0 FGADHM CC(C)(C)OC(=O)CSc1nc2c(cnn2Cc2ccccc2)c(=O)[n-]1 ZINC000594929277 507319483 /nfs/dbraw/zinc/31/94/83/507319483.db2.gz SVLNNLOOVQUXFX-UHFFFAOYSA-N -1 3 372.450 3.014 20 0 FGADHM CSc1ccc([O-])c(C(=O)NC[C@]2(CO)C[C@H]2c2ccc(F)cc2)c1 ZINC000613995485 507329165 /nfs/dbraw/zinc/32/91/65/507329165.db2.gz KZUNLHGSYZUYCP-LPHOPBHVSA-N -1 3 361.438 3.149 20 0 FGADHM CCn1c(=O)[n-]nc1S(=O)(=O)Cc1ccc(C(C)C)cc1C(C)C ZINC000591729495 507342151 /nfs/dbraw/zinc/34/21/51/507342151.db2.gz MPKLMTOKZXUIGC-UHFFFAOYSA-N -1 3 351.472 3.224 20 0 FGADHM Cc1ccc([C@@H]2C[C@H](C)CCN2C[C@@H](O)COc2ccc(C(=O)[O-])cc2)o1 ZINC000584475267 507365274 /nfs/dbraw/zinc/36/52/74/507365274.db2.gz ANXYTIVNFHFULW-BJZITVGISA-N -1 3 373.449 3.499 20 0 FGADHM CCOC(=O)c1ncc(NC(=O)[C@@H](c2cccnc2)C2CCCCC2)[n-]1 ZINC000601530571 507380648 /nfs/dbraw/zinc/38/06/48/507380648.db2.gz VYVALQMUDSTZJN-MRXNPFEDSA-N -1 3 356.426 3.284 20 0 FGADHM CCOC(=O)c1nc(NC(=O)[C@@H](c2cccnc2)C2CCCCC2)c[n-]1 ZINC000601530571 507380652 /nfs/dbraw/zinc/38/06/52/507380652.db2.gz VYVALQMUDSTZJN-MRXNPFEDSA-N -1 3 356.426 3.284 20 0 FGADHM CCn1cc(C(=O)Nc2cc(Cl)cc(C(=O)OC)c2[O-])c(C2CC2)n1 ZINC000601582601 507394923 /nfs/dbraw/zinc/39/49/23/507394923.db2.gz LHNJMCXDBFHNMG-UHFFFAOYSA-N -1 3 363.801 3.178 20 0 FGADHM C[C@@]1(c2ccc(C(=O)Nc3ccc(C4CCC4)cc3)cc2)NC(=O)[N-]C1=O ZINC000584756621 507486861 /nfs/dbraw/zinc/48/68/61/507486861.db2.gz VMXXFETZYFLROB-NRFANRHFSA-N -1 3 363.417 3.261 20 0 FGADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000592107177 507486995 /nfs/dbraw/zinc/48/69/95/507486995.db2.gz BYLFTJLZNOJDPQ-IJLUTSLNSA-N -1 3 365.476 3.155 20 0 FGADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@@H]1CC[C@H]2C[C@H]2C1 ZINC000592107181 507487518 /nfs/dbraw/zinc/48/75/18/507487518.db2.gz BYLFTJLZNOJDPQ-SDDRHHMPSA-N -1 3 365.476 3.155 20 0 FGADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)c(OCCN(C)C)c1 ZINC000606754644 507497451 /nfs/dbraw/zinc/49/74/51/507497451.db2.gz DYHSTNCCZNWCML-UHFFFAOYSA-N -1 3 366.458 3.184 20 0 FGADHM COC(=O)c1cc(CN[C@H](c2ccccc2)[C@H](C)C(=O)[O-])n2c1CCCC2 ZINC000598589625 507507731 /nfs/dbraw/zinc/50/77/31/507507731.db2.gz PGKVUVNKFWDWBG-LIRRHRJNSA-N -1 3 370.449 3.163 20 0 FGADHM O=S(=O)([N-][C@@H]([C@H](CO)C1CC1)C1CC1)c1ccc(Cl)c(Cl)c1 ZINC000584820730 507523066 /nfs/dbraw/zinc/52/30/66/507523066.db2.gz VJXMJPAYLRXEQS-IUODEOHRSA-N -1 3 364.294 3.069 20 0 FGADHM CC(C)c1cc(C(=O)Nc2cc(I)ccc2[O-])no1 ZINC000611216082 507564995 /nfs/dbraw/zinc/56/49/95/507564995.db2.gz QGZHYYHYCSRVMH-UHFFFAOYSA-N -1 3 372.162 3.361 20 0 FGADHM CC(C)(C)OC(=O)[C@H]1CN(C(=O)c2c([O-])cccc2O)Cc2ccccc21 ZINC000598746937 507580300 /nfs/dbraw/zinc/58/03/00/507580300.db2.gz YOWNXQJFWMKPFZ-HNNXBMFYSA-N -1 3 369.417 3.179 20 0 FGADHM Cc1cc(=O)[n-]c([C@@H](C)N2Cc3ccccc3[C@@H](C(=O)OC(C)(C)C)C2)n1 ZINC000595611515 507589422 /nfs/dbraw/zinc/58/94/22/507589422.db2.gz FAFWWVNVXBLUIG-PBHICJAKSA-N -1 3 369.465 3.493 20 0 FGADHM CCc1cc(C(=O)N(CCn2ccnc2)C2CCSCC2)ccc1[O-] ZINC000614672677 507612826 /nfs/dbraw/zinc/61/28/26/507612826.db2.gz XKINWELZGVYNQD-UHFFFAOYSA-N -1 3 359.495 3.189 20 0 FGADHM Cc1nc(S(=O)(=O)[N-][C@H](Cc2ccccc2)c2ccccc2F)cn1C ZINC000607163607 507642032 /nfs/dbraw/zinc/64/20/32/507642032.db2.gz SAAZVCYNKQNSQG-GOSISDBHSA-N -1 3 373.453 3.130 20 0 FGADHM C[C@@H](CSCCNCc1cccc(Br)c1F)C(=O)[O-] ZINC000592460861 507664175 /nfs/dbraw/zinc/66/41/75/507664175.db2.gz BPBJGSQHGDUGLL-VIFPVBQESA-N -1 3 350.253 3.132 20 0 FGADHM CC(C)=CCSC[C@@H](NCc1cnn(-c2ccccc2C)c1)C(=O)[O-] ZINC000592461616 507665117 /nfs/dbraw/zinc/66/51/17/507665117.db2.gz STBBFYVVFGDPOO-QGZVFWFLSA-N -1 3 359.495 3.423 20 0 FGADHM Cc1cccc2cc(C(=O)N[C@H](C)[C@H](C)C(=O)Nc3ncccc3[O-])oc21 ZINC000614824466 507665183 /nfs/dbraw/zinc/66/51/83/507665183.db2.gz VHFPAGVLMSMFNL-QWHCGFSZSA-N -1 3 367.405 3.235 20 0 FGADHM COc1cc(Br)ccc1CNCCSC[C@@H](C)C(=O)[O-] ZINC000592462495 507665914 /nfs/dbraw/zinc/66/59/14/507665914.db2.gz WDQFISZYZARYPM-SNVBAGLBSA-N -1 3 362.289 3.001 20 0 FGADHM CC(C)c1ccsc1C(=O)N[C@H](C)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000614821623 507665989 /nfs/dbraw/zinc/66/59/89/507665989.db2.gz IQXRUJAGZCHULX-NWDGAFQWSA-N -1 3 361.467 3.365 20 0 FGADHM O=C(NCCCc1cc(=O)[nH][n-]1)C1(c2ccc(Cl)cc2)CCCCC1 ZINC000614922093 507695214 /nfs/dbraw/zinc/69/52/14/507695214.db2.gz XPHRIMMLONKOLH-UHFFFAOYSA-N -1 3 361.873 3.314 20 0 FGADHM Cc1ccc(F)c(S(=O)(=O)[N-][C@@H](Cn2cccn2)c2ccccc2)c1 ZINC000607362791 507701833 /nfs/dbraw/zinc/70/18/33/507701833.db2.gz HLVALPKKYISPCJ-KRWDZBQOSA-N -1 3 359.426 3.050 20 0 FGADHM CCCCc1nc(C(=O)OCC)c(NC(=O)c2cccc(SC)n2)[n-]1 ZINC000592625127 507736233 /nfs/dbraw/zinc/73/62/33/507736233.db2.gz OBCWMWRDYBYWEB-UHFFFAOYSA-N -1 3 362.455 3.298 20 0 FGADHM CCCCc1nc(NC(=O)c2cccc(SC)n2)c(C(=O)OCC)[n-]1 ZINC000592625127 507736237 /nfs/dbraw/zinc/73/62/37/507736237.db2.gz OBCWMWRDYBYWEB-UHFFFAOYSA-N -1 3 362.455 3.298 20 0 FGADHM COC(=O)c1cc(Cl)cc(NC(=O)C[C@@H](C)n2nc(C)cc2C)c1[O-] ZINC000588095164 507759433 /nfs/dbraw/zinc/75/94/33/507759433.db2.gz HAFPPJLBMYVODD-LLVKDONJSA-N -1 3 365.817 3.235 20 0 FGADHM COC(=O)c1cc(Cl)cc(NC(=O)c2cc3ccccc3c(=O)[nH]2)c1[O-] ZINC000588096764 507760294 /nfs/dbraw/zinc/76/02/94/507760294.db2.gz NXAWUISOCRYIOF-UHFFFAOYSA-N -1 3 372.764 3.338 20 0 FGADHM CCN(CC)[C@@H](C(=O)Nc1c(C)[n-][nH]c1=O)c1cccc(C(F)(F)F)c1 ZINC000615227016 507780608 /nfs/dbraw/zinc/78/06/08/507780608.db2.gz NZGRXKPAOFWBEI-CQSZACIVSA-N -1 3 370.375 3.464 20 0 FGADHM CCN(CC)[C@H](C(=O)Nc1c(C)[n-][nH]c1=O)c1cccc(C(F)(F)F)c1 ZINC000615227015 507781053 /nfs/dbraw/zinc/78/10/53/507781053.db2.gz NZGRXKPAOFWBEI-AWEZNQCLSA-N -1 3 370.375 3.464 20 0 FGADHM CCN=c1[n-]c(C(=O)NCCNc2cccc(Br)c2)cs1 ZINC000497976140 514710550 /nfs/dbraw/zinc/71/05/50/514710550.db2.gz KLZLLKYZXLKDJE-UHFFFAOYSA-N -1 3 369.288 3.179 20 0 FGADHM COc1ccc(C(=O)CCCC(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)cc1 ZINC000509427385 515173679 /nfs/dbraw/zinc/17/36/79/515173679.db2.gz VETYOBGTIDMQAY-KRWDZBQOSA-N -1 3 357.410 3.262 20 0 FGADHM Cn1[n-]c(=NC(=O)c2ccc(Br)c(F)c2)cc1OC(F)F ZINC000490917329 515333253 /nfs/dbraw/zinc/33/32/53/515333253.db2.gz HUFGRSXRNFVPJM-UHFFFAOYSA-N -1 3 364.121 3.175 20 0 FGADHM Cn1[n-]c(=NC(=O)c2cnn(-c3cccc(Cl)c3)c2)cc1OC(F)F ZINC000490926954 515334580 /nfs/dbraw/zinc/33/45/80/515334580.db2.gz NDEPHFILKWLPCG-UHFFFAOYSA-N -1 3 367.743 3.113 20 0 FGADHM Cn1[n-]c(=NC(=O)COc2ccc(Cl)c(Cl)c2)cc1OC(F)F ZINC000490927441 515336175 /nfs/dbraw/zinc/33/61/75/515336175.db2.gz OQIAGJQHIHHOIB-UHFFFAOYSA-N -1 3 366.151 3.346 20 0 FGADHM Cn1[n-]c(=NC(=O)COc2c(Cl)cccc2Cl)cc1OC(F)F ZINC000490952732 515340017 /nfs/dbraw/zinc/34/00/17/515340017.db2.gz FGVVYMOHPXRTAD-UHFFFAOYSA-N -1 3 366.151 3.346 20 0 FGADHM COc1ccc(C(=O)CCCC(=O)N=c2cc(-c3cccnc3)[n-][nH]2)cc1 ZINC000491015673 515356639 /nfs/dbraw/zinc/35/66/39/515356639.db2.gz AFESWZNBTQGBOK-UHFFFAOYSA-N -1 3 364.405 3.472 20 0 FGADHM Cc1cc(C)cc(-c2n[n-]c(=NC(=O)N[C@H]3CCN(C)[C@@H](C)C3)s2)c1 ZINC000481953420 515525209 /nfs/dbraw/zinc/52/52/09/515525209.db2.gz MQTHCCROFSNVLV-ZFWWWQNUSA-N -1 3 359.499 3.426 20 0 FGADHM Cc1cc(C)cc(-c2n[n-]c(=NC(=O)N[C@@H]3CCN(C)[C@H](C)C3)s2)c1 ZINC000481953419 515525462 /nfs/dbraw/zinc/52/54/62/515525462.db2.gz MQTHCCROFSNVLV-UKRRQHHQSA-N -1 3 359.499 3.426 20 0 FGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)NCCOC1CCCC1 ZINC000482051322 515557499 /nfs/dbraw/zinc/55/74/99/515557499.db2.gz QVDLZHVXCZFDBZ-UHFFFAOYSA-N -1 3 367.247 3.178 20 0 FGADHM CC1(C)C[C@H](NC(=O)N=c2cc3ccc(Br)cn3[n-]2)CCO1 ZINC000482184700 515600065 /nfs/dbraw/zinc/60/00/65/515600065.db2.gz JTWCWQWTJVMWHC-LLVKDONJSA-N -1 3 367.247 3.176 20 0 FGADHM CC[C@H](CSC)NC(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482197971 515604689 /nfs/dbraw/zinc/60/46/89/515604689.db2.gz GGVDJZKZPJFOKL-SNVBAGLBSA-N -1 3 357.277 3.360 20 0 FGADHM CCN=c1[n-]c(C(=O)N[C@@H]2C[C@H]2c2ccc(OC(F)F)cc2)cs1 ZINC000482205160 515606194 /nfs/dbraw/zinc/60/61/94/515606194.db2.gz FJFCMQIZCTVITE-NWDGAFQWSA-N -1 3 353.394 3.462 20 0 FGADHM C[C@@H]1SCCN(C(=O)N=c2cc3ccc(Br)cn3[n-]2)[C@H]1C ZINC000482211940 515610217 /nfs/dbraw/zinc/61/02/17/515610217.db2.gz PANHTCGOORBHAE-UWVGGRQHSA-N -1 3 369.288 3.455 20 0 FGADHM CC(=O)c1cccc(OCCCC(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)c1 ZINC000473844434 515771463 /nfs/dbraw/zinc/77/14/63/515771463.db2.gz BCAMBJBWQHURQQ-QGZVFWFLSA-N -1 3 357.410 3.262 20 0 FGADHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1cccc(Oc2cnccn2)c1 ZINC000473850267 515775398 /nfs/dbraw/zinc/77/53/98/515775398.db2.gz NGEBRZWKZIYRSP-HNNXBMFYSA-N -1 3 351.366 3.096 20 0 FGADHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)c1ccc(-c2ccccc2)[nH]c1=O ZINC000473860080 515781290 /nfs/dbraw/zinc/78/12/90/515781290.db2.gz XAJFBPDBFQCHBI-MRXNPFEDSA-N -1 3 350.378 3.281 20 0 FGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)[C@@H]1OCCc2ccccc21 ZINC000511331626 515865880 /nfs/dbraw/zinc/86/58/80/515865880.db2.gz FIVCWYZKCSSHNA-MRXNPFEDSA-N -1 3 372.222 3.349 20 0 FGADHM O=C(N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1)c1ccc2oc(=O)[nH]c2c1 ZINC000500864452 515885981 /nfs/dbraw/zinc/88/59/81/515885981.db2.gz IJEZUBPPIZYYLQ-UHFFFAOYSA-N -1 3 356.288 3.454 20 0 FGADHM O=C(Cc1n[nH]c2ccccc21)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1 ZINC000500874691 515892233 /nfs/dbraw/zinc/89/22/33/515892233.db2.gz YYPCPFLSVMEBRR-UHFFFAOYSA-N -1 3 353.332 3.412 20 0 FGADHM O=C(Cc1[nH]nc2ccccc21)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1 ZINC000500874691 515892237 /nfs/dbraw/zinc/89/22/37/515892237.db2.gz YYPCPFLSVMEBRR-UHFFFAOYSA-N -1 3 353.332 3.412 20 0 FGADHM CCc1[n-][nH]c(=NC(=O)c2ccc(F)cn2)c1-c1ccc2c(c1)OCO2 ZINC000506950371 516033798 /nfs/dbraw/zinc/03/37/98/516033798.db2.gz BSISQYUTSKDEMH-UHFFFAOYSA-N -1 3 354.341 3.154 20 0 FGADHM Cc1csc(=O)n1CCC(=O)N=c1cc(-c2cc(C)cc(C)c2)[n-][nH]1 ZINC000512535797 516302295 /nfs/dbraw/zinc/30/22/95/516302295.db2.gz LAJYBPJHRSSFTL-UHFFFAOYSA-N -1 3 356.451 3.254 20 0 FGADHM CC[C@@H]1C[C@H](C(=O)N=c2[nH][n-]c(C)c2-c2ccc3c(c2)OCCO3)CCO1 ZINC000543740307 516403647 /nfs/dbraw/zinc/40/36/47/516403647.db2.gz NLJAVGHADYJXTN-HUUCEWRRSA-N -1 3 371.437 3.300 20 0 FGADHM CCN=c1[n-]c(C(=O)N[C@H]2CCN(C)[C@H]2c2ccc(Cl)cc2)cs1 ZINC000536368900 516737433 /nfs/dbraw/zinc/73/74/33/516737433.db2.gz HBKYTWFCYXDNQW-ZFWWWQNUSA-N -1 3 364.902 3.404 20 0 FGADHM CCN=c1[n-]c(C(=O)N[C@H]2CCN(C)[C@@H]2c2ccc(Cl)cc2)cs1 ZINC000536368847 516737583 /nfs/dbraw/zinc/73/75/83/516737583.db2.gz HBKYTWFCYXDNQW-DZGCQCFKSA-N -1 3 364.902 3.404 20 0 FGADHM Cn1ncc(C(=O)N=c2cc(-c3cc(F)cc(F)c3)[n-][nH]2)c1C(F)F ZINC000532079436 516790698 /nfs/dbraw/zinc/79/06/98/516790698.db2.gz DYBHGTQDPSPRHH-UHFFFAOYSA-N -1 3 353.279 3.278 20 0 FGADHM O=C(N=c1cc(-c2ccccc2)[n-][nH]1)[C@H]1CCN(c2ccc(F)cc2)C1=O ZINC000524972803 516882530 /nfs/dbraw/zinc/88/25/30/516882530.db2.gz DRDSUTFHUQQFBL-MRXNPFEDSA-N -1 3 364.380 3.207 20 0 FGADHM COc1ccc([C@H](CN2CCCC2)Nc2nc(C(=O)[O-])c(C)s2)cc1 ZINC000514864653 517098266 /nfs/dbraw/zinc/09/82/66/517098266.db2.gz JTVNKIXTHBVSGW-HNNXBMFYSA-N -1 3 361.467 3.407 20 0 FGADHM Cc1cc(C)n(-c2ccc(C(=O)N=c3cc([C@@H]4CCCO4)[n-][nH]3)cc2F)n1 ZINC000525966950 517260825 /nfs/dbraw/zinc/26/08/25/517260825.db2.gz GQQJMXJOLWFVAX-KRWDZBQOSA-N -1 3 369.400 3.455 20 0 FGADHM Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000527208930 517561972 /nfs/dbraw/zinc/56/19/72/517561972.db2.gz NLKRTHSFMVSVQG-MRXNPFEDSA-N -1 3 369.400 3.455 20 0 FGADHM CC(C)Cn1ncc(C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)c1C(F)F ZINC000527208182 517562120 /nfs/dbraw/zinc/56/21/20/517562120.db2.gz SCZBHYDPOQQODA-LBPRGKRZSA-N -1 3 353.373 3.304 20 0 FGADHM C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)c1 ZINC000527209241 517562152 /nfs/dbraw/zinc/56/21/52/517562152.db2.gz SNYZVLOMLGXFNO-DJSGYFEHSA-N -1 3 354.410 3.108 20 0 FGADHM Cc1cc(C(=O)N=c2cc(-c3ccccc3)o[n-]2)nn1C1CCOCC1 ZINC000530262794 517664715 /nfs/dbraw/zinc/66/47/15/517664715.db2.gz AAKCLGGVYUJUDA-UHFFFAOYSA-N -1 3 352.394 3.450 20 0 FGADHM Cc1cccc(NC(=O)NCC(=O)N=c2cc(-c3ccccc3C)[n-][nH]2)c1 ZINC000539321763 517992558 /nfs/dbraw/zinc/99/25/58/517992558.db2.gz RUTXZVVRIURLAV-UHFFFAOYSA-N -1 3 363.421 3.454 20 0 FGADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)c2cccnc2OC)[nH][n-]1 ZINC000522283580 518063554 /nfs/dbraw/zinc/06/35/54/518063554.db2.gz TXLFCGSFDWJGEY-UHFFFAOYSA-N -1 3 358.785 3.395 20 0 FGADHM Cc1nc2ccnn2c(C)c1C(=O)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1 ZINC000534882851 518069951 /nfs/dbraw/zinc/06/99/51/518069951.db2.gz PKNKOTRQWDQSRG-UHFFFAOYSA-N -1 3 368.347 3.267 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1-c1ccccc1 ZINC000522811429 518165850 /nfs/dbraw/zinc/16/58/50/518165850.db2.gz QBWFMAAJDMOJKC-GOSISDBHSA-N -1 3 374.444 3.372 20 0 FGADHM COC(=O)[C@H]1CCC[C@@H](C(=O)N=c2[nH][n-]c(C)c2-c2ccc(F)cc2)C1 ZINC000600837502 520495556 /nfs/dbraw/zinc/49/55/56/520495556.db2.gz KDQCQZQIFJQSFF-KGLIPLIRSA-N -1 3 359.401 3.442 20 0 FGADHM Cn1cc(I)c(=NC(=O)[C@H]2CCCCC2(C)C)[n-]1 ZINC000602390432 521315585 /nfs/dbraw/zinc/31/55/85/521315585.db2.gz MMANOUKRGOJTEB-SECBINFHSA-N -1 3 361.227 3.180 20 0 FGADHM O=C(N=c1[nH][n-]cc1Br)[C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21 ZINC000629992407 522573922 /nfs/dbraw/zinc/57/39/22/522573922.db2.gz RQYAJFBZBUPPJI-ADEWGFFLSA-N -1 3 352.619 3.350 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@H](C)N(C)CC(F)(F)F)c1-c1ccc(F)cc1 ZINC000630028844 522591655 /nfs/dbraw/zinc/59/16/55/522591655.db2.gz URNCOCAOTCGOKR-JTQLQIEISA-N -1 3 358.339 3.345 20 0 FGADHM COc1ccc([C@@H](CNc2ncc(C(=O)[O-])s2)N2CCCCC2)cc1 ZINC000630455121 522859130 /nfs/dbraw/zinc/85/91/30/522859130.db2.gz ANEOHNZVBZNBQJ-OAHLLOKOSA-N -1 3 361.467 3.489 20 0 FGADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)c1ccc2c(c1)CCOC2 ZINC000622887895 523529991 /nfs/dbraw/zinc/52/99/91/523529991.db2.gz LQJAAKIMJAEKTR-UHFFFAOYSA-N -1 3 359.735 3.424 20 0 FGADHM COCCCCCNC(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482236409 561250986 /nfs/dbraw/zinc/25/09/86/561250986.db2.gz GZUWDLNUGCRQEF-UHFFFAOYSA-N -1 3 355.236 3.035 20 0 FGADHM CCCN(CCC)C(=O)CCCC(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000473854891 561059267 /nfs/dbraw/zinc/05/92/67/561059267.db2.gz HFGKMYLRFMOYQF-OAHLLOKOSA-N -1 3 350.463 3.019 20 0 FGADHM CC(C)c1nc2c([nH]1)C[C@@H](C(=O)N=c1cc(-c3ccncc3)[n-][nH]1)CC2 ZINC000530370358 562408687 /nfs/dbraw/zinc/40/86/87/562408687.db2.gz MFXAAGXNBJYWEC-ZDUSSCGKSA-N -1 3 350.426 3.062 20 0 FGADHM CC(C)c1nc2c([nH]1)CC[C@H](C(=O)N=c1cc(-c3ccncc3)[n-][nH]1)C2 ZINC000530370358 562408688 /nfs/dbraw/zinc/40/86/88/562408688.db2.gz MFXAAGXNBJYWEC-ZDUSSCGKSA-N -1 3 350.426 3.062 20 0 FGADHM Cc1ccccc1-c1cc(=NC(=O)c2ccccc2S(C)(=O)=O)[nH][n-]1 ZINC000537119467 562585733 /nfs/dbraw/zinc/58/57/33/562585733.db2.gz PEIJYILCICZODH-UHFFFAOYSA-N -1 3 355.419 3.041 20 0 FGADHM Cc1cnc([C@H]([N-]S(=O)(=O)c2ccc3c(c2)C(=O)CC3)C2CC2)s1 ZINC000655526332 568152921 /nfs/dbraw/zinc/15/29/21/568152921.db2.gz NVLNUCWXHUGTFT-MRXNPFEDSA-N -1 3 362.476 3.010 20 0 FGADHM CCCN(CCc1cccc(F)c1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736478567 598823438 /nfs/dbraw/zinc/82/34/38/598823438.db2.gz DOQHOZDYXMEGLY-UHFFFAOYSA-N -1 3 353.401 3.101 20 0 FGADHM CCCN(CCc1cccc(F)c1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736478567 598823440 /nfs/dbraw/zinc/82/34/40/598823440.db2.gz DOQHOZDYXMEGLY-UHFFFAOYSA-N -1 3 353.401 3.101 20 0 FGADHM Cc1nc(-c2ccncc2)nc(Sc2ccc(-c3nnn[n-]3)cc2)c1C ZINC000737464658 598828996 /nfs/dbraw/zinc/82/89/96/598828996.db2.gz SZIGLRYTILREQQ-UHFFFAOYSA-N -1 3 361.434 3.487 20 0 FGADHM Cc1nc(-c2ccncc2)nc(Sc2ccc(-c3nn[n-]n3)cc2)c1C ZINC000737464658 598828997 /nfs/dbraw/zinc/82/89/97/598828997.db2.gz SZIGLRYTILREQQ-UHFFFAOYSA-N -1 3 361.434 3.487 20 0 FGADHM CC(C)[C@H](Cc1ccccc1)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000735710316 598831642 /nfs/dbraw/zinc/83/16/42/598831642.db2.gz NWBSFNKCKIXLTK-KRWDZBQOSA-N -1 3 367.428 3.137 20 0 FGADHM CC(C)[C@H](Cc1ccccc1)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000735710316 598831644 /nfs/dbraw/zinc/83/16/44/598831644.db2.gz NWBSFNKCKIXLTK-KRWDZBQOSA-N -1 3 367.428 3.137 20 0 FGADHM Cc1cccc([C@H](C)C(=O)Nc2ccnn2-c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737383933 598832682 /nfs/dbraw/zinc/83/26/82/598832682.db2.gz GKFNXOVASWGTAD-AWEZNQCLSA-N -1 3 373.420 3.103 20 0 FGADHM Cc1cccc([C@@H](C)C(=O)Nc2ccnn2-c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737383934 598832725 /nfs/dbraw/zinc/83/27/25/598832725.db2.gz GKFNXOVASWGTAD-CQSZACIVSA-N -1 3 373.420 3.103 20 0 FGADHM O=C(NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1)C1CCCC1 ZINC000738110415 598836933 /nfs/dbraw/zinc/83/69/33/598836933.db2.gz ASVKBAZECSKINX-UHFFFAOYSA-N -1 3 353.451 3.402 20 0 FGADHM Cc1nn(-c2ccc(-c3nn[n-]n3)cc2)c(NC(=O)CC(C)(C)C)c1C ZINC000737501869 598840004 /nfs/dbraw/zinc/84/00/04/598840004.db2.gz AAFNWPYVPQVDSW-UHFFFAOYSA-N -1 3 353.430 3.044 20 0 FGADHM O=C(O[C@H]1C=CCCC1)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000738212134 598845475 /nfs/dbraw/zinc/84/54/75/598845475.db2.gz COHLIEVQBHCPIH-HNNXBMFYSA-N -1 3 366.377 3.304 20 0 FGADHM O=C(O[C@H]1C=CCCC1)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000738212134 598845476 /nfs/dbraw/zinc/84/54/76/598845476.db2.gz COHLIEVQBHCPIH-HNNXBMFYSA-N -1 3 366.377 3.304 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NCCc1ccc(F)cc1Cl ZINC000737293310 598851362 /nfs/dbraw/zinc/85/13/62/598851362.db2.gz BCFIBAJRTXSTNO-UHFFFAOYSA-N -1 3 374.807 3.332 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NCCc1ccc(F)cc1Cl ZINC000737293310 598851364 /nfs/dbraw/zinc/85/13/64/598851364.db2.gz BCFIBAJRTXSTNO-UHFFFAOYSA-N -1 3 374.807 3.332 20 0 FGADHM CC(C)Oc1ccccc1NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000735912720 598852078 /nfs/dbraw/zinc/85/20/78/598852078.db2.gz BOWWMRIEWHZAKU-UHFFFAOYSA-N -1 3 356.361 3.437 20 0 FGADHM CC(C)Oc1ccccc1NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000735912720 598852079 /nfs/dbraw/zinc/85/20/79/598852079.db2.gz BOWWMRIEWHZAKU-UHFFFAOYSA-N -1 3 356.361 3.437 20 0 FGADHM Cc1ccc2oc(SCCOc3ccccc3-c3nnn[n-]3)nc2c1 ZINC000737380878 598861815 /nfs/dbraw/zinc/86/18/15/598861815.db2.gz SQBLFKBGCSBSQH-UHFFFAOYSA-N -1 3 353.407 3.487 20 0 FGADHM Cc1ccc2oc(SCCOc3ccccc3-c3nn[n-]n3)nc2c1 ZINC000737380878 598861817 /nfs/dbraw/zinc/86/18/17/598861817.db2.gz SQBLFKBGCSBSQH-UHFFFAOYSA-N -1 3 353.407 3.487 20 0 FGADHM CCOC[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C1 ZINC000736610105 598869869 /nfs/dbraw/zinc/86/98/69/598869869.db2.gz GNIOOOLUGSGTCX-LLVKDONJSA-N -1 3 355.364 3.138 20 0 FGADHM CCOC[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C1 ZINC000736610105 598869871 /nfs/dbraw/zinc/86/98/71/598869871.db2.gz GNIOOOLUGSGTCX-LLVKDONJSA-N -1 3 355.364 3.138 20 0 FGADHM CCOC[C@H]1CCCN(c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C1 ZINC000736610108 598870093 /nfs/dbraw/zinc/87/00/93/598870093.db2.gz GNIOOOLUGSGTCX-NSHDSACASA-N -1 3 355.364 3.138 20 0 FGADHM CCOC[C@H]1CCCN(c2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C1 ZINC000736610108 598870094 /nfs/dbraw/zinc/87/00/94/598870094.db2.gz GNIOOOLUGSGTCX-NSHDSACASA-N -1 3 355.364 3.138 20 0 FGADHM COC(=O)[C@@H](Nc1ccc(C)c(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736896357 598878283 /nfs/dbraw/zinc/87/82/83/598878283.db2.gz IUXOVQRLDZUHBS-HNNXBMFYSA-N -1 3 357.801 3.155 20 0 FGADHM COC(=O)[C@@H](Nc1ccc(C)c(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736896357 598878285 /nfs/dbraw/zinc/87/82/85/598878285.db2.gz IUXOVQRLDZUHBS-HNNXBMFYSA-N -1 3 357.801 3.155 20 0 FGADHM CN(C(=S)Nc1ccccc1-c1nnn[n-]1)[C@@H]1CCc2ccccc2C1 ZINC000736740617 598902536 /nfs/dbraw/zinc/90/25/36/598902536.db2.gz CJTJWUFVMJQQOT-OAHLLOKOSA-N -1 3 364.478 3.053 20 0 FGADHM CN(C(=S)Nc1ccccc1-c1nn[n-]n1)[C@@H]1CCc2ccccc2C1 ZINC000736740617 598902537 /nfs/dbraw/zinc/90/25/37/598902537.db2.gz CJTJWUFVMJQQOT-OAHLLOKOSA-N -1 3 364.478 3.053 20 0 FGADHM C[C@@H]1CCCC[C@H]1CCNC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736264383 598907381 /nfs/dbraw/zinc/90/73/81/598907381.db2.gz VVFSAQZYYTWUNB-KGLIPLIRSA-N -1 3 359.499 3.291 20 0 FGADHM C[C@@H]1CCCC[C@H]1CCNC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736264383 598907383 /nfs/dbraw/zinc/90/73/83/598907383.db2.gz VVFSAQZYYTWUNB-KGLIPLIRSA-N -1 3 359.499 3.291 20 0 FGADHM CC(C)CCNC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000735811801 598925747 /nfs/dbraw/zinc/92/57/47/598925747.db2.gz VSQDGKUDHPEECX-UHFFFAOYSA-N -1 3 365.437 3.222 20 0 FGADHM CC(C)CCNC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000735811801 598925750 /nfs/dbraw/zinc/92/57/50/598925750.db2.gz VSQDGKUDHPEECX-UHFFFAOYSA-N -1 3 365.437 3.222 20 0 FGADHM O=C(Nc1cccnc1)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000738194527 598927186 /nfs/dbraw/zinc/92/71/86/598927186.db2.gz DWBALVXWEYKRAK-UHFFFAOYSA-N -1 3 372.388 3.093 20 0 FGADHM O=C(Nc1cccnc1)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000738194527 598927187 /nfs/dbraw/zinc/92/71/87/598927187.db2.gz DWBALVXWEYKRAK-UHFFFAOYSA-N -1 3 372.388 3.093 20 0 FGADHM CCN(C(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1)C(C)C ZINC000736507574 598927802 /nfs/dbraw/zinc/92/78/02/598927802.db2.gz GDBVAVHBVQMATF-UHFFFAOYSA-N -1 3 365.437 3.316 20 0 FGADHM CCN(C(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1)C(C)C ZINC000736507574 598927803 /nfs/dbraw/zinc/92/78/03/598927803.db2.gz GDBVAVHBVQMATF-UHFFFAOYSA-N -1 3 365.437 3.316 20 0 FGADHM COC(=O)c1ccc(Oc2ncc(-c3nnn[n-]3)cc2Cl)c(Cl)c1 ZINC000736950032 598934902 /nfs/dbraw/zinc/93/49/02/598934902.db2.gz XHEAGNKCZYBHHV-UHFFFAOYSA-N -1 3 366.164 3.147 20 0 FGADHM COC(=O)c1ccc(Oc2ncc(-c3nn[n-]n3)cc2Cl)c(Cl)c1 ZINC000736950032 598934904 /nfs/dbraw/zinc/93/49/04/598934904.db2.gz XHEAGNKCZYBHHV-UHFFFAOYSA-N -1 3 366.164 3.147 20 0 FGADHM Cc1ccccc1-c1nnc(Sc2ncc(-c3nnn[n-]3)cc2Cl)o1 ZINC000737416516 598936195 /nfs/dbraw/zinc/93/61/95/598936195.db2.gz BCIBFDVWEKHICP-UHFFFAOYSA-N -1 3 371.813 3.425 20 0 FGADHM Cc1ccccc1-c1nnc(Sc2ncc(-c3nn[n-]n3)cc2Cl)o1 ZINC000737416516 598936197 /nfs/dbraw/zinc/93/61/97/598936197.db2.gz BCIBFDVWEKHICP-UHFFFAOYSA-N -1 3 371.813 3.425 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OCCSc1ccc(F)c(F)c1 ZINC000737031642 598937676 /nfs/dbraw/zinc/93/76/76/598937676.db2.gz BUBNVIGWXPOOGO-UHFFFAOYSA-N -1 3 364.377 3.325 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OCCSc1ccc(F)c(F)c1 ZINC000737031642 598937678 /nfs/dbraw/zinc/93/76/78/598937678.db2.gz BUBNVIGWXPOOGO-UHFFFAOYSA-N -1 3 364.377 3.325 20 0 FGADHM C[C@H]1C[C@H](C)N(C(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)C1 ZINC000736231243 598951556 /nfs/dbraw/zinc/95/15/56/598951556.db2.gz WMJWXOWCTOYMBX-KBPBESRZSA-N -1 3 362.437 3.481 20 0 FGADHM Cc1ccccc1C[C@@H]1CCCN1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000737427525 598963299 /nfs/dbraw/zinc/96/32/99/598963299.db2.gz RRPUPOVDILJIMC-SFHVURJKSA-N -1 3 362.437 3.414 20 0 FGADHM Cc1ccccc1C[C@@H]1CCCN1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000737427525 598963301 /nfs/dbraw/zinc/96/33/01/598963301.db2.gz RRPUPOVDILJIMC-SFHVURJKSA-N -1 3 362.437 3.414 20 0 FGADHM C[C@@H]1C[C@H](c2ccccc2)CN1C(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000736234187 598977556 /nfs/dbraw/zinc/97/75/56/598977556.db2.gz IMSBDRPZBSGEPP-HIFRSBDPSA-N -1 3 364.478 3.442 20 0 FGADHM C[C@@H]1C[C@H](c2ccccc2)CN1C(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000736234187 598977558 /nfs/dbraw/zinc/97/75/58/598977558.db2.gz IMSBDRPZBSGEPP-HIFRSBDPSA-N -1 3 364.478 3.442 20 0 FGADHM Cc1sc(NC(=O)C[C@@H]2OCCc3ccccc32)c(-c2nnn[n-]2)c1C ZINC000737560709 598980356 /nfs/dbraw/zinc/98/03/56/598980356.db2.gz GVPPXLDBXKGGSD-AWEZNQCLSA-N -1 3 369.450 3.188 20 0 FGADHM Cc1sc(NC(=O)C[C@@H]2OCCc3ccccc32)c(-c2nn[n-]n2)c1C ZINC000737560709 598980358 /nfs/dbraw/zinc/98/03/58/598980358.db2.gz GVPPXLDBXKGGSD-AWEZNQCLSA-N -1 3 369.450 3.188 20 0 FGADHM Cc1sc(NC(=O)C[C@H]2OCCc3ccccc32)c(-c2nnn[n-]2)c1C ZINC000737560714 598980777 /nfs/dbraw/zinc/98/07/77/598980777.db2.gz GVPPXLDBXKGGSD-CQSZACIVSA-N -1 3 369.450 3.188 20 0 FGADHM Cc1sc(NC(=O)C[C@H]2OCCc3ccccc32)c(-c2nn[n-]n2)c1C ZINC000737560714 598980778 /nfs/dbraw/zinc/98/07/78/598980778.db2.gz GVPPXLDBXKGGSD-CQSZACIVSA-N -1 3 369.450 3.188 20 0 FGADHM CCCN(CC)C(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736470531 598989144 /nfs/dbraw/zinc/98/91/44/598989144.db2.gz KHEJJBUPBSQACA-UHFFFAOYSA-N -1 3 365.437 3.318 20 0 FGADHM CCCCC[C@@H](NC(=O)COc1ccccc1-c1nnn[n-]1)C(C)(C)C ZINC000736441014 599008412 /nfs/dbraw/zinc/00/84/12/599008412.db2.gz LRQKIGHSVVGQOM-MRXNPFEDSA-N -1 3 359.474 3.357 20 0 FGADHM CCCCC[C@@H](NC(=O)COc1ccccc1-c1nn[n-]n1)C(C)(C)C ZINC000736441014 599008414 /nfs/dbraw/zinc/00/84/14/599008414.db2.gz LRQKIGHSVVGQOM-MRXNPFEDSA-N -1 3 359.474 3.357 20 0 FGADHM C[C@H]1C[C@H](c2ccccc2)CN1C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000736230917 599008765 /nfs/dbraw/zinc/00/87/65/599008765.db2.gz AIJXSBSGZMIECD-KXBFYZLASA-N -1 3 361.449 3.204 20 0 FGADHM C[C@H]1C[C@H](c2ccccc2)CN1C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000736230917 599008767 /nfs/dbraw/zinc/00/87/67/599008767.db2.gz AIJXSBSGZMIECD-KXBFYZLASA-N -1 3 361.449 3.204 20 0 FGADHM CC[C@H](NC(=O)Nc1cccc(-c2nnn[n-]2)c1)c1cc(F)ccc1F ZINC000736361001 599011785 /nfs/dbraw/zinc/01/17/85/599011785.db2.gz FJINEUOTTIGWCZ-HNNXBMFYSA-N -1 3 358.352 3.418 20 0 FGADHM CC[C@H](NC(=O)Nc1cccc(-c2nn[n-]n2)c1)c1cc(F)ccc1F ZINC000736361001 599011786 /nfs/dbraw/zinc/01/17/86/599011786.db2.gz FJINEUOTTIGWCZ-HNNXBMFYSA-N -1 3 358.352 3.418 20 0 FGADHM CCO[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc(-c3nnn[n-]3)cc2)C12CCCC2 ZINC000736617141 599012330 /nfs/dbraw/zinc/01/23/30/599012330.db2.gz QATZHPVAVIJAGV-HZPDHXFCSA-N -1 3 370.457 3.068 20 0 FGADHM CCO[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)C12CCCC2 ZINC000736617141 599012332 /nfs/dbraw/zinc/01/23/32/599012332.db2.gz QATZHPVAVIJAGV-HZPDHXFCSA-N -1 3 370.457 3.068 20 0 FGADHM NC(=O)[C@H](S[C@@H]1CCCc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000737743037 599013157 /nfs/dbraw/zinc/01/31/57/599013157.db2.gz SLHNTNSMZJNMBE-IAGOWNOFSA-N -1 3 365.462 3.204 20 0 FGADHM NC(=O)[C@H](S[C@@H]1CCCc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000737743037 599013159 /nfs/dbraw/zinc/01/31/59/599013159.db2.gz SLHNTNSMZJNMBE-IAGOWNOFSA-N -1 3 365.462 3.204 20 0 FGADHM O=C(C[C@H]1CCc2ccccc21)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000737818605 599015979 /nfs/dbraw/zinc/01/59/79/599015979.db2.gz IMCHMMFSBRKKSB-GOSISDBHSA-N -1 3 373.460 3.478 20 0 FGADHM O=C(C[C@H]1CCc2ccccc21)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000737818605 599015981 /nfs/dbraw/zinc/01/59/81/599015981.db2.gz IMCHMMFSBRKKSB-GOSISDBHSA-N -1 3 373.460 3.478 20 0 FGADHM C[C@H]1CN(c2ncc(-c3nnn[n-]3)cc2Cl)C[C@@H](c2ccc(F)cc2)O1 ZINC000820776981 599039876 /nfs/dbraw/zinc/03/98/76/599039876.db2.gz ONDAUYXBQBRRBN-BONVTDFDSA-N -1 3 374.807 3.021 20 0 FGADHM C[C@H]1CN(c2ncc(-c3nn[n-]n3)cc2Cl)C[C@@H](c2ccc(F)cc2)O1 ZINC000820776981 599039878 /nfs/dbraw/zinc/03/98/78/599039878.db2.gz ONDAUYXBQBRRBN-BONVTDFDSA-N -1 3 374.807 3.021 20 0 FGADHM COc1ccc2c(c1)OCC[C@@H]2Nc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000821854149 599043930 /nfs/dbraw/zinc/04/39/30/599043930.db2.gz GQLNMKIKOGNUPB-KRWDZBQOSA-N -1 3 374.404 3.359 20 0 FGADHM COc1ccc2c(c1)OCC[C@@H]2Nc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000821854149 599043932 /nfs/dbraw/zinc/04/39/32/599043932.db2.gz GQLNMKIKOGNUPB-KRWDZBQOSA-N -1 3 374.404 3.359 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OCCOc1c(C)cccc1Cl ZINC000737031592 599049417 /nfs/dbraw/zinc/04/94/17/599049417.db2.gz ARTVXWKQYNDXRV-UHFFFAOYSA-N -1 3 360.801 3.295 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OCCOc1c(C)cccc1Cl ZINC000737031592 599049420 /nfs/dbraw/zinc/04/94/20/599049420.db2.gz ARTVXWKQYNDXRV-UHFFFAOYSA-N -1 3 360.801 3.295 20 0 FGADHM C[C@@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(=O)N(C)C1CCCCC1 ZINC000736190052 599062445 /nfs/dbraw/zinc/06/24/45/599062445.db2.gz FIKJZLKVTIVZRE-LLVKDONJSA-N -1 3 363.462 3.278 20 0 FGADHM C[C@@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(=O)N(C)C1CCCCC1 ZINC000736190052 599062448 /nfs/dbraw/zinc/06/24/48/599062448.db2.gz FIKJZLKVTIVZRE-LLVKDONJSA-N -1 3 363.462 3.278 20 0 FGADHM Cc1ccnc(-c2ccc(NCc3ccc(-c4nnn[n-]4)cc3F)cc2)n1 ZINC000737436204 599066087 /nfs/dbraw/zinc/06/60/87/599066087.db2.gz HFOMGOYTOFBHFZ-UHFFFAOYSA-N -1 3 361.384 3.383 20 0 FGADHM Cc1ccnc(-c2ccc(NCc3ccc(-c4nn[n-]n4)cc3F)cc2)n1 ZINC000737436204 599066090 /nfs/dbraw/zinc/06/60/90/599066090.db2.gz HFOMGOYTOFBHFZ-UHFFFAOYSA-N -1 3 361.384 3.383 20 0 FGADHM COc1ccc(C)cc1NC(=O)CSc1ccc(-c2nnn[n-]2)cc1F ZINC000737078525 599067894 /nfs/dbraw/zinc/06/78/94/599067894.db2.gz ZBBDFCFGVMXVAN-UHFFFAOYSA-N -1 3 373.413 3.054 20 0 FGADHM COc1ccc(C)cc1NC(=O)CSc1ccc(-c2nn[n-]n2)cc1F ZINC000737078525 599067897 /nfs/dbraw/zinc/06/78/97/599067897.db2.gz ZBBDFCFGVMXVAN-UHFFFAOYSA-N -1 3 373.413 3.054 20 0 FGADHM Cc1cccc2c(CCC(=O)N[C@@H](C)c3ccc(-c4nnn[n-]4)cc3)c[nH]c21 ZINC000737408696 599068611 /nfs/dbraw/zinc/06/86/11/599068611.db2.gz KHJTXSKAAQHDLB-AWEZNQCLSA-N -1 3 374.448 3.466 20 0 FGADHM Cc1cccc2c(CCC(=O)N[C@@H](C)c3ccc(-c4nn[n-]n4)cc3)c[nH]c21 ZINC000737408696 599068616 /nfs/dbraw/zinc/06/86/16/599068616.db2.gz KHJTXSKAAQHDLB-AWEZNQCLSA-N -1 3 374.448 3.466 20 0 FGADHM CC(C)(C)OC(=O)CCCCCNc1nc2c(cc1-c1nnn[n-]1)CCC2 ZINC000819928732 599089155 /nfs/dbraw/zinc/08/91/55/599089155.db2.gz VYFJXCUFAIFUPN-UHFFFAOYSA-N -1 3 372.473 3.064 20 0 FGADHM CC(C)(C)OC(=O)CCCCCNc1nc2c(cc1-c1nn[n-]n1)CCC2 ZINC000819928732 599089158 /nfs/dbraw/zinc/08/91/58/599089158.db2.gz VYFJXCUFAIFUPN-UHFFFAOYSA-N -1 3 372.473 3.064 20 0 FGADHM C[C@H](CCC1CCCCC1)NC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000735985461 599103185 /nfs/dbraw/zinc/10/31/85/599103185.db2.gz LGZNSPHWLXNVLL-CQSZACIVSA-N -1 3 356.474 3.415 20 0 FGADHM C[C@H](CCC1CCCCC1)NC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000735985461 599103186 /nfs/dbraw/zinc/10/31/86/599103186.db2.gz LGZNSPHWLXNVLL-CQSZACIVSA-N -1 3 356.474 3.415 20 0 FGADHM CCN(C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)[C@@H](C)c1cccnc1 ZINC000736506086 599104122 /nfs/dbraw/zinc/10/41/22/599104122.db2.gz QVVGYUXXAWVDOW-KBPBESRZSA-N -1 3 365.441 3.115 20 0 FGADHM CCN(C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)[C@@H](C)c1cccnc1 ZINC000736506086 599104123 /nfs/dbraw/zinc/10/41/23/599104123.db2.gz QVVGYUXXAWVDOW-KBPBESRZSA-N -1 3 365.441 3.115 20 0 FGADHM C[C@H](Sc1ccccc1-c1nnn[n-]1)C(=O)NCc1ccc(Cl)cc1 ZINC000736194158 599109087 /nfs/dbraw/zinc/10/90/87/599109087.db2.gz WQWBMUQXJFMJJG-NSHDSACASA-N -1 3 373.869 3.317 20 0 FGADHM C[C@H](Sc1ccccc1-c1nn[n-]n1)C(=O)NCc1ccc(Cl)cc1 ZINC000736194158 599109089 /nfs/dbraw/zinc/10/90/89/599109089.db2.gz WQWBMUQXJFMJJG-NSHDSACASA-N -1 3 373.869 3.317 20 0 FGADHM CC[C@H](Sc1ccccc1-c1nnn[n-]1)C(=O)NCc1ccccc1 ZINC000736393388 599110181 /nfs/dbraw/zinc/11/01/81/599110181.db2.gz XVZCCYPIVXRCSX-HNNXBMFYSA-N -1 3 353.451 3.054 20 0 FGADHM CC[C@H](Sc1ccccc1-c1nn[n-]n1)C(=O)NCc1ccccc1 ZINC000736393388 599110183 /nfs/dbraw/zinc/11/01/83/599110183.db2.gz XVZCCYPIVXRCSX-HNNXBMFYSA-N -1 3 353.451 3.054 20 0 FGADHM Fc1ccc(-c2noc(CSc3ccccc3-c3nnn[n-]3)n2)cc1 ZINC000737651438 599111163 /nfs/dbraw/zinc/11/11/63/599111163.db2.gz SFBUNIXKCYZECE-UHFFFAOYSA-N -1 3 354.370 3.348 20 0 FGADHM Fc1ccc(-c2noc(CSc3ccccc3-c3nn[n-]n3)n2)cc1 ZINC000737651438 599111165 /nfs/dbraw/zinc/11/11/65/599111165.db2.gz SFBUNIXKCYZECE-UHFFFAOYSA-N -1 3 354.370 3.348 20 0 FGADHM Cc1nnc(Nc2cccc(Oc3ccccn3)c2)c(-c2nnn[n-]2)c1C ZINC000822514746 599111312 /nfs/dbraw/zinc/11/13/12/599111312.db2.gz HOTATLNZCIHZGM-UHFFFAOYSA-N -1 3 360.381 3.204 20 0 FGADHM Cc1nnc(Nc2cccc(Oc3ccccn3)c2)c(-c2nn[n-]n2)c1C ZINC000822514746 599111313 /nfs/dbraw/zinc/11/13/13/599111313.db2.gz HOTATLNZCIHZGM-UHFFFAOYSA-N -1 3 360.381 3.204 20 0 FGADHM CCN(C(=O)[C@@H](C)c1ccc(C)o1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821149278 599143746 /nfs/dbraw/zinc/14/37/46/599143746.db2.gz UWLXUXNVHXPWFR-KBPBESRZSA-N -1 3 353.426 3.481 20 0 FGADHM CCN(C(=O)[C@@H](C)c1ccc(C)o1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821149278 599143749 /nfs/dbraw/zinc/14/37/49/599143749.db2.gz UWLXUXNVHXPWFR-KBPBESRZSA-N -1 3 353.426 3.481 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H](C)c1cccc(C)c1C ZINC000737061918 599145301 /nfs/dbraw/zinc/14/53/01/599145301.db2.gz GSVQHIFWRFQSRG-ZDUSSCGKSA-N -1 3 366.425 3.375 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@H](C)c1cccc(C)c1C ZINC000737061918 599145303 /nfs/dbraw/zinc/14/53/03/599145303.db2.gz GSVQHIFWRFQSRG-ZDUSSCGKSA-N -1 3 366.425 3.375 20 0 FGADHM FC(F)(F)COc1ccc(CSc2ccccc2-c2nnn[n-]2)cn1 ZINC000822718626 607259132 /nfs/dbraw/zinc/25/91/32/607259132.db2.gz NHKACRWNFSTICG-UHFFFAOYSA-N -1 3 367.356 3.495 20 0 FGADHM FC(F)(F)COc1ccc(CSc2ccccc2-c2nn[n-]n2)cn1 ZINC000822718626 607259133 /nfs/dbraw/zinc/25/91/33/607259133.db2.gz NHKACRWNFSTICG-UHFFFAOYSA-N -1 3 367.356 3.495 20 0 FGADHM C[C@H](CCc1cccc(F)c1)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000820252727 599152955 /nfs/dbraw/zinc/15/29/55/599152955.db2.gz CLALHHVOZYBKSM-GFCCVEGCSA-N -1 3 371.391 3.030 20 0 FGADHM C[C@H](CCc1cccc(F)c1)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000820252727 599152957 /nfs/dbraw/zinc/15/29/57/599152957.db2.gz CLALHHVOZYBKSM-GFCCVEGCSA-N -1 3 371.391 3.030 20 0 FGADHM COc1ccc(SCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)cc1 ZINC000737116816 599159077 /nfs/dbraw/zinc/15/90/77/599159077.db2.gz RLUBUJRCFJUDBJ-UHFFFAOYSA-N -1 3 366.406 3.218 20 0 FGADHM COc1ccc(SCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)cc1 ZINC000737116816 599159078 /nfs/dbraw/zinc/15/90/78/599159078.db2.gz RLUBUJRCFJUDBJ-UHFFFAOYSA-N -1 3 366.406 3.218 20 0 FGADHM c1ccc(CSCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)cc1 ZINC000738433677 599161215 /nfs/dbraw/zinc/16/12/15/599161215.db2.gz WSMKXTKSRXVIKJ-UHFFFAOYSA-N -1 3 350.407 3.350 20 0 FGADHM c1ccc(CSCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)cc1 ZINC000738433677 599161219 /nfs/dbraw/zinc/16/12/19/599161219.db2.gz WSMKXTKSRXVIKJ-UHFFFAOYSA-N -1 3 350.407 3.350 20 0 FGADHM Cc1ccccc1[C@H](C)CC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737425148 599161283 /nfs/dbraw/zinc/16/12/83/599161283.db2.gz ZJBQHFKQYAOFTL-CYBMUJFWSA-N -1 3 353.401 3.124 20 0 FGADHM Cc1ccccc1[C@H](C)CC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737425148 599161285 /nfs/dbraw/zinc/16/12/85/599161285.db2.gz ZJBQHFKQYAOFTL-CYBMUJFWSA-N -1 3 353.401 3.124 20 0 FGADHM CCOC(=O)[C@@H](Cc1ccccc1)Sc1ccc(-c2nnn[n-]2)cc1F ZINC000736591971 599169565 /nfs/dbraw/zinc/16/95/65/599169565.db2.gz YWULYSIHMMVWTC-MRXNPFEDSA-N -1 3 372.425 3.272 20 0 FGADHM CCOC(=O)[C@@H](Cc1ccccc1)Sc1ccc(-c2nn[n-]n2)cc1F ZINC000736591971 599169566 /nfs/dbraw/zinc/16/95/66/599169566.db2.gz YWULYSIHMMVWTC-MRXNPFEDSA-N -1 3 372.425 3.272 20 0 FGADHM Cc1cccc(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2F)c1C ZINC000737400928 599172107 /nfs/dbraw/zinc/17/21/07/599172107.db2.gz UXAQJZMXPOIPRM-UHFFFAOYSA-N -1 3 357.414 3.353 20 0 FGADHM Cc1cccc(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2F)c1C ZINC000737400928 599172110 /nfs/dbraw/zinc/17/21/10/599172110.db2.gz UXAQJZMXPOIPRM-UHFFFAOYSA-N -1 3 357.414 3.353 20 0 FGADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)c1cc2c(s1)CCCCC2 ZINC000823241738 599179703 /nfs/dbraw/zinc/17/97/03/599179703.db2.gz FMJBMHTTZORCPQ-UHFFFAOYSA-N -1 3 371.441 3.266 20 0 FGADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)c1cc2c(s1)CCCCC2 ZINC000823241738 599179704 /nfs/dbraw/zinc/17/97/04/599179704.db2.gz FMJBMHTTZORCPQ-UHFFFAOYSA-N -1 3 371.441 3.266 20 0 FGADHM CN(C(=O)c1ccc(-c2ccccc2)n1C)c1cccc(-c2nnn[n-]2)c1 ZINC000736750495 599184621 /nfs/dbraw/zinc/18/46/21/599184621.db2.gz ZGYJWILIAUCPFQ-UHFFFAOYSA-N -1 3 358.405 3.149 20 0 FGADHM CN(C(=O)c1ccc(-c2ccccc2)n1C)c1cccc(-c2nn[n-]n2)c1 ZINC000736750495 599184623 /nfs/dbraw/zinc/18/46/23/599184623.db2.gz ZGYJWILIAUCPFQ-UHFFFAOYSA-N -1 3 358.405 3.149 20 0 FGADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1F)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000738232486 599186455 /nfs/dbraw/zinc/18/64/55/599186455.db2.gz RICWJROYKSMUQO-NWDGAFQWSA-N -1 3 374.322 3.131 20 0 FGADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1F)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000738232486 599186457 /nfs/dbraw/zinc/18/64/57/599186457.db2.gz RICWJROYKSMUQO-NWDGAFQWSA-N -1 3 374.322 3.131 20 0 FGADHM C[C@H](CNC(=O)CCc1ccc(-c2nnn[n-]2)cc1)Sc1ccccc1 ZINC000820262523 599192802 /nfs/dbraw/zinc/19/28/02/599192802.db2.gz XYFUYYMITFFIMW-CQSZACIVSA-N -1 3 367.478 3.096 20 0 FGADHM C[C@H](CNC(=O)CCc1ccc(-c2nn[n-]n2)cc1)Sc1ccccc1 ZINC000820262523 599192804 /nfs/dbraw/zinc/19/28/04/599192804.db2.gz XYFUYYMITFFIMW-CQSZACIVSA-N -1 3 367.478 3.096 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N1CCC(C2CCCC2)CC1 ZINC000822927827 599193633 /nfs/dbraw/zinc/19/36/33/599193633.db2.gz BHHWLWNWUAMSPV-KTKRTIGZSA-N -1 3 351.454 3.309 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N1CCC(C2CCCC2)CC1 ZINC000822927827 599193635 /nfs/dbraw/zinc/19/36/35/599193635.db2.gz BHHWLWNWUAMSPV-KTKRTIGZSA-N -1 3 351.454 3.309 20 0 FGADHM O=C(COc1cccc(-c2nnn[n-]2)c1)N1CCCC2(C1)CCCCCC2 ZINC000823043603 599202982 /nfs/dbraw/zinc/20/29/82/599202982.db2.gz BWQCXLIYTKYCGC-UHFFFAOYSA-N -1 3 369.469 3.209 20 0 FGADHM O=C(COc1cccc(-c2nn[n-]n2)c1)N1CCCC2(C1)CCCCCC2 ZINC000823043603 599202984 /nfs/dbraw/zinc/20/29/84/599202984.db2.gz BWQCXLIYTKYCGC-UHFFFAOYSA-N -1 3 369.469 3.209 20 0 FGADHM COCCN(C(=O)C[C@H](C)CC(C)(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736987718 599203010 /nfs/dbraw/zinc/20/30/10/599203010.db2.gz FSVQPBTULQRSKP-AWEZNQCLSA-N -1 3 359.474 3.309 20 0 FGADHM COCCN(C(=O)C[C@H](C)CC(C)(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736987718 599203011 /nfs/dbraw/zinc/20/30/11/599203011.db2.gz FSVQPBTULQRSKP-AWEZNQCLSA-N -1 3 359.474 3.309 20 0 FGADHM CCCC[C@@H](CC)CC(=O)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000736437475 599224018 /nfs/dbraw/zinc/22/40/18/599224018.db2.gz FQTINOYTYIKUDG-MRXNPFEDSA-N -1 3 370.501 3.122 20 0 FGADHM CCCC[C@@H](CC)CC(=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000736437475 599224021 /nfs/dbraw/zinc/22/40/21/599224021.db2.gz FQTINOYTYIKUDG-MRXNPFEDSA-N -1 3 370.501 3.122 20 0 FGADHM CCc1ccc(CCSCC(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821482686 599225815 /nfs/dbraw/zinc/22/58/15/599225815.db2.gz UWAHHQZWJKEWRD-UHFFFAOYSA-N -1 3 367.478 3.344 20 0 FGADHM CCc1ccc(CCSCC(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821482686 599225818 /nfs/dbraw/zinc/22/58/18/599225818.db2.gz UWAHHQZWJKEWRD-UHFFFAOYSA-N -1 3 367.478 3.344 20 0 FGADHM C[C@@H](OC(=O)C=Cc1ccnc(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820488754 607263584 /nfs/dbraw/zinc/26/35/84/607263584.db2.gz TWVPOFDCKFCPQD-HVUAZKLTSA-N -1 3 355.785 3.233 20 0 FGADHM C[C@@H](OC(=O)C=Cc1ccnc(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820488754 607263585 /nfs/dbraw/zinc/26/35/85/607263585.db2.gz TWVPOFDCKFCPQD-HVUAZKLTSA-N -1 3 355.785 3.233 20 0 FGADHM CCc1ccc(NC(=S)NCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000821486248 599228670 /nfs/dbraw/zinc/22/86/70/599228670.db2.gz ATNZCURCXWVFSW-UHFFFAOYSA-N -1 3 356.430 3.055 20 0 FGADHM CCc1ccc(NC(=S)NCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000821486248 599228672 /nfs/dbraw/zinc/22/86/72/599228672.db2.gz ATNZCURCXWVFSW-UHFFFAOYSA-N -1 3 356.430 3.055 20 0 FGADHM CC[C@H]1CN(C(=O)C=Cc2ccccc2-c2nnn[n-]2)c2ccccc2O1 ZINC000736413735 599228741 /nfs/dbraw/zinc/22/87/41/599228741.db2.gz ZGAKOFGUJJLJAG-SSCKCOOKSA-N -1 3 361.405 3.084 20 0 FGADHM CC[C@H]1CN(C(=O)C=Cc2ccccc2-c2nn[n-]n2)c2ccccc2O1 ZINC000736413735 599228743 /nfs/dbraw/zinc/22/87/43/599228743.db2.gz ZGAKOFGUJJLJAG-SSCKCOOKSA-N -1 3 361.405 3.084 20 0 FGADHM CC1(C)C[C@H](NC(=O)CCc2ccc(-c3nnn[n-]3)cc2)c2ccccc21 ZINC000820582896 607266078 /nfs/dbraw/zinc/26/60/78/607266078.db2.gz ANKTZHZHXXLULO-SFHVURJKSA-N -1 3 361.449 3.338 20 0 FGADHM CC1(C)C[C@H](NC(=O)CCc2ccc(-c3nn[n-]n3)cc2)c2ccccc21 ZINC000820582896 607266079 /nfs/dbraw/zinc/26/60/79/607266079.db2.gz ANKTZHZHXXLULO-SFHVURJKSA-N -1 3 361.449 3.338 20 0 FGADHM CCSCC[C@H](C)N(C)C(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000821457308 599238321 /nfs/dbraw/zinc/23/83/21/599238321.db2.gz VNTPNNRUTKUUKT-NSHDSACASA-N -1 3 350.517 3.027 20 0 FGADHM CCSCC[C@H](C)N(C)C(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000821457308 599238324 /nfs/dbraw/zinc/23/83/24/599238324.db2.gz VNTPNNRUTKUUKT-NSHDSACASA-N -1 3 350.517 3.027 20 0 FGADHM CCc1ccccc1NC(=S)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821497731 599239460 /nfs/dbraw/zinc/23/94/60/599239460.db2.gz YNRURTAWFBOEBX-GFCCVEGCSA-N -1 3 352.467 3.477 20 0 FGADHM CCc1ccccc1NC(=S)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821497731 599239462 /nfs/dbraw/zinc/23/94/62/599239462.db2.gz YNRURTAWFBOEBX-GFCCVEGCSA-N -1 3 352.467 3.477 20 0 FGADHM CC[C@H](Cc1ccccc1)N(C)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000820913689 599240287 /nfs/dbraw/zinc/24/02/87/599240287.db2.gz JJIFPJRXBDSQLJ-QGZVFWFLSA-N -1 3 350.426 3.352 20 0 FGADHM CC[C@H](Cc1ccccc1)N(C)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000820913689 599240289 /nfs/dbraw/zinc/24/02/89/599240289.db2.gz JJIFPJRXBDSQLJ-QGZVFWFLSA-N -1 3 350.426 3.352 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NC[C@@H]1CCc2ccccc2C1 ZINC000737293558 599242829 /nfs/dbraw/zinc/24/28/29/599242829.db2.gz FMCSQSFMYXEEPP-CQSZACIVSA-N -1 3 362.437 3.102 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NC[C@@H]1CCc2ccccc2C1 ZINC000737293558 599242831 /nfs/dbraw/zinc/24/28/31/599242831.db2.gz FMCSQSFMYXEEPP-CQSZACIVSA-N -1 3 362.437 3.102 20 0 FGADHM Cc1c(NC(=O)[C@H]2COc3ccc(Cl)cc3C2)cccc1-c1nnn[n-]1 ZINC000822068385 607271570 /nfs/dbraw/zinc/27/15/70/607271570.db2.gz QJTXXBYHLLRMAC-GFCCVEGCSA-N -1 3 369.812 3.018 20 0 FGADHM Cc1c(NC(=O)[C@H]2COc3ccc(Cl)cc3C2)cccc1-c1nn[n-]n1 ZINC000822068385 607271571 /nfs/dbraw/zinc/27/15/71/607271571.db2.gz QJTXXBYHLLRMAC-GFCCVEGCSA-N -1 3 369.812 3.018 20 0 FGADHM Cc1c(NC(=O)NCCCSc2ccccc2)cccc1-c1nnn[n-]1 ZINC000822096035 607280142 /nfs/dbraw/zinc/28/01/42/607280142.db2.gz JAGCALUCAXVXQA-UHFFFAOYSA-N -1 3 368.466 3.479 20 0 FGADHM Cc1c(NC(=O)NCCCSc2ccccc2)cccc1-c1nn[n-]n1 ZINC000822096035 607280143 /nfs/dbraw/zinc/28/01/43/607280143.db2.gz JAGCALUCAXVXQA-UHFFFAOYSA-N -1 3 368.466 3.479 20 0 FGADHM CCCOc1cccc(NC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)c1 ZINC000821138711 599252691 /nfs/dbraw/zinc/25/26/91/599252691.db2.gz FNXGNYIQLKZUGM-UHFFFAOYSA-N -1 3 370.388 3.116 20 0 FGADHM CCCOc1cccc(NC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC000821138711 599252694 /nfs/dbraw/zinc/25/26/94/599252694.db2.gz FNXGNYIQLKZUGM-UHFFFAOYSA-N -1 3 370.388 3.116 20 0 FGADHM Cc1ccccc1C[C@H](C)NC(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000822356791 607283709 /nfs/dbraw/zinc/28/37/09/607283709.db2.gz YWJNORMJDUPYBZ-ZDUSSCGKSA-N -1 3 350.426 3.236 20 0 FGADHM Cc1ccccc1C[C@H](C)NC(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000822356791 607283710 /nfs/dbraw/zinc/28/37/10/607283710.db2.gz YWJNORMJDUPYBZ-ZDUSSCGKSA-N -1 3 350.426 3.236 20 0 FGADHM CCOCc1ccccc1CNC(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821383672 607284528 /nfs/dbraw/zinc/28/45/28/607284528.db2.gz HHURGFQCJNHHEY-UHFFFAOYSA-N -1 3 366.425 3.033 20 0 FGADHM CCOCc1ccccc1CNC(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821383672 607284529 /nfs/dbraw/zinc/28/45/29/607284529.db2.gz HHURGFQCJNHHEY-UHFFFAOYSA-N -1 3 366.425 3.033 20 0 FGADHM CCC(CC)n1ccc(C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)n1 ZINC000820897725 607306908 /nfs/dbraw/zinc/30/69/08/607306908.db2.gz NGPBCJKIIRDFAK-UHFFFAOYSA-N -1 3 359.821 3.330 20 0 FGADHM CCC(CC)n1ccc(C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)n1 ZINC000820897725 607306909 /nfs/dbraw/zinc/30/69/09/607306909.db2.gz NGPBCJKIIRDFAK-UHFFFAOYSA-N -1 3 359.821 3.330 20 0 FGADHM Cc1cc(C)n(-c2ccc(NCc3cc(-c4nnn[n-]4)cs3)cc2F)n1 ZINC000822198024 607313293 /nfs/dbraw/zinc/31/32/93/607313293.db2.gz ZAAICEAEQUEKGZ-UHFFFAOYSA-N -1 3 369.429 3.482 20 0 FGADHM Cc1cc(C)n(-c2ccc(NCc3cc(-c4nn[n-]n4)cs3)cc2F)n1 ZINC000822198024 607313294 /nfs/dbraw/zinc/31/32/94/607313294.db2.gz ZAAICEAEQUEKGZ-UHFFFAOYSA-N -1 3 369.429 3.482 20 0 FGADHM CCC(CC)n1ccc(C(=O)Nc2sc(C)c(C)c2-c2nnn[n-]2)n1 ZINC000820898146 607303648 /nfs/dbraw/zinc/30/36/48/607303648.db2.gz VIZPTVMNNBXPJN-UHFFFAOYSA-N -1 3 359.459 3.355 20 0 FGADHM CCC(CC)n1ccc(C(=O)Nc2sc(C)c(C)c2-c2nn[n-]n2)n1 ZINC000820898146 607303649 /nfs/dbraw/zinc/30/36/49/607303649.db2.gz VIZPTVMNNBXPJN-UHFFFAOYSA-N -1 3 359.459 3.355 20 0 FGADHM CCC(CC)n1nccc1C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820901911 607303709 /nfs/dbraw/zinc/30/37/09/607303709.db2.gz GEJSDODAINQJEV-UHFFFAOYSA-N -1 3 359.821 3.330 20 0 FGADHM CCC(CC)n1nccc1C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820901911 607303710 /nfs/dbraw/zinc/30/37/10/607303710.db2.gz GEJSDODAINQJEV-UHFFFAOYSA-N -1 3 359.821 3.330 20 0 FGADHM CCCOc1cccc(CC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000821133867 607303732 /nfs/dbraw/zinc/30/37/32/607303732.db2.gz IAJPQALHBRHJJY-UHFFFAOYSA-N -1 3 371.828 3.490 20 0 FGADHM CCCOc1cccc(CC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000821133867 607303733 /nfs/dbraw/zinc/30/37/33/607303733.db2.gz IAJPQALHBRHJJY-UHFFFAOYSA-N -1 3 371.828 3.490 20 0 FGADHM C[C@@H](NC(=O)Nc1ccc2scnc2c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820379427 599273830 /nfs/dbraw/zinc/27/38/30/599273830.db2.gz CKDGJEBLOWFXLP-SNVBAGLBSA-N -1 3 365.422 3.359 20 0 FGADHM C[C@@H](NC(=O)Nc1ccc2scnc2c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820379427 599273832 /nfs/dbraw/zinc/27/38/32/599273832.db2.gz CKDGJEBLOWFXLP-SNVBAGLBSA-N -1 3 365.422 3.359 20 0 FGADHM CC(C)Nc1cc(F)ccc1NC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000735892726 599274438 /nfs/dbraw/zinc/27/44/38/599274438.db2.gz MGASOKAKBRELRY-UHFFFAOYSA-N -1 3 368.416 3.397 20 0 FGADHM CC(C)Nc1cc(F)ccc1NC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000735892726 599274441 /nfs/dbraw/zinc/27/44/41/599274441.db2.gz MGASOKAKBRELRY-UHFFFAOYSA-N -1 3 368.416 3.397 20 0 FGADHM C[C@@H](NC(=O)Nc1nc2ccsc2s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736116819 599280185 /nfs/dbraw/zinc/28/01/85/599280185.db2.gz NIMGRKFKGJUYMS-MRVPVSSYSA-N -1 3 371.451 3.421 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1sc(C)nc1C ZINC000736487140 599276842 /nfs/dbraw/zinc/27/68/42/599276842.db2.gz DAFYDTRTGUKZRL-UHFFFAOYSA-N -1 3 357.443 3.014 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1nccc2ccccc21 ZINC000736488933 599279088 /nfs/dbraw/zinc/27/90/88/599279088.db2.gz VDTVWZJPXCDVKR-UHFFFAOYSA-N -1 3 373.420 3.489 20 0 FGADHM C[C@@H](NC(=O)Nc1nc2ccsc2s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736116819 599280183 /nfs/dbraw/zinc/28/01/83/599280183.db2.gz NIMGRKFKGJUYMS-MRVPVSSYSA-N -1 3 371.451 3.421 20 0 FGADHM CC[C@@H]1CCCN1C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820981978 599289543 /nfs/dbraw/zinc/28/95/43/599289543.db2.gz YNOXLQZIZZMRGN-SNVBAGLBSA-N -1 3 354.336 3.292 20 0 FGADHM CC[C@@H]1CCCN1C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820981978 599289548 /nfs/dbraw/zinc/28/95/48/599289548.db2.gz YNOXLQZIZZMRGN-SNVBAGLBSA-N -1 3 354.336 3.292 20 0 FGADHM CC[C@H](C)[C@H](C)NC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820863959 599290837 /nfs/dbraw/zinc/29/08/37/599290837.db2.gz WNWJNQFEWASGRV-IUCAKERBSA-N -1 3 356.352 3.442 20 0 FGADHM CC[C@H](C)[C@H](C)NC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820863959 599290841 /nfs/dbraw/zinc/29/08/41/599290841.db2.gz WNWJNQFEWASGRV-IUCAKERBSA-N -1 3 356.352 3.442 20 0 FGADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N(C)CCC1CCCCC1 ZINC000736184257 598232624 /nfs/dbraw/zinc/23/26/24/598232624.db2.gz XDEZMXMDRHSCBF-AWEZNQCLSA-N -1 3 357.458 3.063 20 0 FGADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N(C)CCC1CCCCC1 ZINC000736184257 598232626 /nfs/dbraw/zinc/23/26/26/598232626.db2.gz XDEZMXMDRHSCBF-AWEZNQCLSA-N -1 3 357.458 3.063 20 0 FGADHM O=C(c1ccccc1)C1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000738277398 598236514 /nfs/dbraw/zinc/23/65/14/598236514.db2.gz CTUWCCWHJUKHOS-UHFFFAOYSA-N -1 3 351.385 3.105 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1NCc1ccc(OC2CCCC2)nc1 ZINC000737645099 598239625 /nfs/dbraw/zinc/23/96/25/598239625.db2.gz RGBOCWLNRMNEKW-UHFFFAOYSA-N -1 3 354.389 3.334 20 0 FGADHM C[C@@H]1CCC[C@@H]1Nc1c(-c2nnn[n-]2)cnc2ccc(OC(F)F)cc21 ZINC000736263367 598244519 /nfs/dbraw/zinc/24/45/19/598244519.db2.gz PSFUIAOCEZYADZ-RNCFNFMXSA-N -1 3 360.368 3.039 20 0 FGADHM C[C@@H]1CCC[C@@H]1Nc1c(-c2nn[n-]n2)cnc2ccc(OC(F)F)cc21 ZINC000736263367 598244521 /nfs/dbraw/zinc/24/45/21/598244521.db2.gz PSFUIAOCEZYADZ-RNCFNFMXSA-N -1 3 360.368 3.039 20 0 FGADHM C[C@H]1CCC[C@H]1Nc1c(-c2nnn[n-]2)cnc2ccc(OC(F)F)cc21 ZINC000736263368 598244535 /nfs/dbraw/zinc/24/45/35/598244535.db2.gz PSFUIAOCEZYADZ-TVQRCGJNSA-N -1 3 360.368 3.039 20 0 FGADHM C[C@H]1CCC[C@H]1Nc1c(-c2nn[n-]n2)cnc2ccc(OC(F)F)cc21 ZINC000736263368 598244537 /nfs/dbraw/zinc/24/45/37/598244537.db2.gz PSFUIAOCEZYADZ-TVQRCGJNSA-N -1 3 360.368 3.039 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N1CC[C@@H](c2cccc(F)c2)C1 ZINC000738161613 598267754 /nfs/dbraw/zinc/26/77/54/598267754.db2.gz GYZCCXLABYONDX-GFCCVEGCSA-N -1 3 370.363 3.166 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N1CC[C@@H](c2cccc(F)c2)C1 ZINC000738161613 598267756 /nfs/dbraw/zinc/26/77/56/598267756.db2.gz GYZCCXLABYONDX-GFCCVEGCSA-N -1 3 370.363 3.166 20 0 FGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)NCCCc1ccccc1 ZINC000735659507 598275836 /nfs/dbraw/zinc/27/58/36/598275836.db2.gz BDCWMFJWAVATNB-UHFFFAOYSA-N -1 3 367.457 3.178 20 0 FGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)NCCCc1ccccc1 ZINC000735659507 598275838 /nfs/dbraw/zinc/27/58/38/598275838.db2.gz BDCWMFJWAVATNB-UHFFFAOYSA-N -1 3 367.457 3.178 20 0 FGADHM Cc1ccc2c(CC(=O)N(C)c3ccc(-c4nnn[n-]4)cc3F)c[nH]c2c1 ZINC000737372318 598279512 /nfs/dbraw/zinc/27/95/12/598279512.db2.gz DCIXGIBQYJLDKD-UHFFFAOYSA-N -1 3 364.384 3.001 20 0 FGADHM Cc1ccc2c(CC(=O)N(C)c3ccc(-c4nn[n-]n4)cc3F)c[nH]c2c1 ZINC000737372318 598279514 /nfs/dbraw/zinc/27/95/14/598279514.db2.gz DCIXGIBQYJLDKD-UHFFFAOYSA-N -1 3 364.384 3.001 20 0 FGADHM CN(C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccc(-c2nnn[n-]2)cc1F ZINC000736733742 598280126 /nfs/dbraw/zinc/28/01/26/598280126.db2.gz XSJFADBKLMRVPC-MNOVXSKESA-N -1 3 371.338 3.337 20 0 FGADHM CN(C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736733742 598280128 /nfs/dbraw/zinc/28/01/28/598280128.db2.gz XSJFADBKLMRVPC-MNOVXSKESA-N -1 3 371.338 3.337 20 0 FGADHM CC[C@H](NC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1)C1CCCCC1 ZINC000736360267 598283539 /nfs/dbraw/zinc/28/35/39/598283539.db2.gz ADGPJIWNHIPFFU-KRWDZBQOSA-N -1 3 356.474 3.367 20 0 FGADHM CC[C@H](NC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1)C1CCCCC1 ZINC000736360267 598283541 /nfs/dbraw/zinc/28/35/41/598283541.db2.gz ADGPJIWNHIPFFU-KRWDZBQOSA-N -1 3 356.474 3.367 20 0 FGADHM CC(C)[C@@H](CC(=O)NCc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000735707052 598296671 /nfs/dbraw/zinc/29/66/71/598296671.db2.gz FWQRXWPTJDFUCA-QGZVFWFLSA-N -1 3 367.428 3.452 20 0 FGADHM CC(C)[C@@H](CC(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000735707052 598296673 /nfs/dbraw/zinc/29/66/73/598296673.db2.gz FWQRXWPTJDFUCA-QGZVFWFLSA-N -1 3 367.428 3.452 20 0 FGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)c1cc2c(cccc2F)s1 ZINC000738102599 598305766 /nfs/dbraw/zinc/30/57/66/598305766.db2.gz RRFPYOVNPJWNIE-UHFFFAOYSA-N -1 3 371.372 3.290 20 0 FGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)c1cc2c(cccc2F)s1 ZINC000738102599 598305767 /nfs/dbraw/zinc/30/57/67/598305767.db2.gz RRFPYOVNPJWNIE-UHFFFAOYSA-N -1 3 371.372 3.290 20 0 FGADHM CN(C(=O)[C@H]1CCCc2ccccc21)c1ccc(-c2nnn[n-]2)cc1F ZINC000736733847 598309830 /nfs/dbraw/zinc/30/98/30/598309830.db2.gz ZOOCWJHSXVWCRS-HNNXBMFYSA-N -1 3 351.385 3.089 20 0 FGADHM CN(C(=O)[C@H]1CCCc2ccccc21)c1ccc(-c2nn[n-]n2)cc1F ZINC000736733847 598309833 /nfs/dbraw/zinc/30/98/33/598309833.db2.gz ZOOCWJHSXVWCRS-HNNXBMFYSA-N -1 3 351.385 3.089 20 0 FGADHM Fc1cc(-c2nnn[n-]2)ccc1CNc1ncnc2c3ccccc3oc21 ZINC000737639796 598310767 /nfs/dbraw/zinc/31/07/67/598310767.db2.gz GEGXGFHGQYXWBY-UHFFFAOYSA-N -1 3 361.340 3.307 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1CNc1ncnc2c3ccccc3oc21 ZINC000737639796 598310769 /nfs/dbraw/zinc/31/07/69/598310769.db2.gz GEGXGFHGQYXWBY-UHFFFAOYSA-N -1 3 361.340 3.307 20 0 FGADHM Cc1cccc(CSCC(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000737397292 598311783 /nfs/dbraw/zinc/31/17/83/598311783.db2.gz UJTLODOTUPSSQX-UHFFFAOYSA-N -1 3 371.441 3.210 20 0 FGADHM Cc1cccc(CSCC(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000737397292 598311785 /nfs/dbraw/zinc/31/17/85/598311785.db2.gz UJTLODOTUPSSQX-UHFFFAOYSA-N -1 3 371.441 3.210 20 0 FGADHM c1ccc(Cc2noc(CSCc3ccc(-c4nnn[n-]4)cc3)n2)cc1 ZINC000738432515 598314487 /nfs/dbraw/zinc/31/44/87/598314487.db2.gz HVSMQJYUINOWSF-UHFFFAOYSA-N -1 3 364.434 3.274 20 0 FGADHM c1ccc(Cc2noc(CSCc3ccc(-c4nn[n-]n4)cc3)n2)cc1 ZINC000738432515 598314488 /nfs/dbraw/zinc/31/44/88/598314488.db2.gz HVSMQJYUINOWSF-UHFFFAOYSA-N -1 3 364.434 3.274 20 0 FGADHM C[C@@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F)c1ccc(Cl)cc1 ZINC000736116219 598317608 /nfs/dbraw/zinc/31/76/08/598317608.db2.gz DXYJBGJQJBBZFI-SNVBAGLBSA-N -1 3 374.807 3.220 20 0 FGADHM C[C@@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1ccc(Cl)cc1 ZINC000736116219 598317610 /nfs/dbraw/zinc/31/76/10/598317610.db2.gz DXYJBGJQJBBZFI-SNVBAGLBSA-N -1 3 374.807 3.220 20 0 FGADHM COc1cccc(CNC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000737131310 598319034 /nfs/dbraw/zinc/31/90/34/598319034.db2.gz BZKAODGCBVPJPZ-UHFFFAOYSA-N -1 3 374.857 3.015 20 0 FGADHM COc1cccc(CNC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000737131310 598319035 /nfs/dbraw/zinc/31/90/35/598319035.db2.gz BZKAODGCBVPJPZ-UHFFFAOYSA-N -1 3 374.857 3.015 20 0 FGADHM CC[C@@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F)C1CCCCC1 ZINC000736363426 598320646 /nfs/dbraw/zinc/32/06/46/598320646.db2.gz OCJPDSQBHJHZCP-MRXNPFEDSA-N -1 3 360.437 3.164 20 0 FGADHM CC[C@@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F)C1CCCCC1 ZINC000736363426 598320647 /nfs/dbraw/zinc/32/06/47/598320647.db2.gz OCJPDSQBHJHZCP-MRXNPFEDSA-N -1 3 360.437 3.164 20 0 FGADHM CCC[C@@H]1CCCC[C@@H]1NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000736434359 598320696 /nfs/dbraw/zinc/32/06/96/598320696.db2.gz FARCMMDQIHPJRE-WBMJQRKESA-N -1 3 360.437 3.164 20 0 FGADHM CCC[C@@H]1CCCC[C@@H]1NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000736434359 598320698 /nfs/dbraw/zinc/32/06/98/598320698.db2.gz FARCMMDQIHPJRE-WBMJQRKESA-N -1 3 360.437 3.164 20 0 FGADHM C[C@@H](NC(=S)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1)c1cccs1 ZINC000736125208 598322009 /nfs/dbraw/zinc/32/20/09/598322009.db2.gz IZTHPDDGPDVNAQ-GHMZBOCLSA-N -1 3 358.496 3.215 20 0 FGADHM C[C@@H](NC(=S)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1)c1cccs1 ZINC000736125208 598322011 /nfs/dbraw/zinc/32/20/11/598322011.db2.gz IZTHPDDGPDVNAQ-GHMZBOCLSA-N -1 3 358.496 3.215 20 0 FGADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2csc(C(C)(C)C)n2)s1 ZINC000736678672 598327414 /nfs/dbraw/zinc/32/74/14/598327414.db2.gz DKXTZXIOXUDOSE-UHFFFAOYSA-N -1 3 362.484 3.497 20 0 FGADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2csc(C(C)(C)C)n2)s1 ZINC000736678672 598327416 /nfs/dbraw/zinc/32/74/16/598327416.db2.gz DKXTZXIOXUDOSE-UHFFFAOYSA-N -1 3 362.484 3.497 20 0 FGADHM O=C(c1sccc1-c1nnn[n-]1)N1CCCC[C@H]1Cc1ccccc1 ZINC000738288318 598332760 /nfs/dbraw/zinc/33/27/60/598332760.db2.gz BRJWKASNJLHUIJ-AWEZNQCLSA-N -1 3 353.451 3.166 20 0 FGADHM O=C(c1sccc1-c1nn[n-]n1)N1CCCC[C@H]1Cc1ccccc1 ZINC000738288318 598332762 /nfs/dbraw/zinc/33/27/62/598332762.db2.gz BRJWKASNJLHUIJ-AWEZNQCLSA-N -1 3 353.451 3.166 20 0 FGADHM CCOc1ccc([C@@H]2CCCN2C(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000031953862 607353671 /nfs/dbraw/zinc/35/36/71/607353671.db2.gz FFNTVAMMKLBZOE-SFHVURJKSA-N -1 3 363.421 3.243 20 0 FGADHM CCOc1ccc([C@@H]2CCCN2C(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000031953862 607353672 /nfs/dbraw/zinc/35/36/72/607353672.db2.gz FFNTVAMMKLBZOE-SFHVURJKSA-N -1 3 363.421 3.243 20 0 FGADHM O=C(/C=C/Sc1ccccc1)OCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000737794933 598371715 /nfs/dbraw/zinc/37/17/15/598371715.db2.gz HCAJZTFVNWZQCW-JLHYYAGUSA-N -1 3 368.418 3.095 20 0 FGADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)N1Cc2ccccc2C1 ZINC000738146134 598372885 /nfs/dbraw/zinc/37/28/85/598372885.db2.gz QCZRSLLWFPUFPR-UHFFFAOYSA-N -1 3 372.335 3.016 20 0 FGADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)N1Cc2ccccc2C1 ZINC000738146134 598372887 /nfs/dbraw/zinc/37/28/87/598372887.db2.gz QCZRSLLWFPUFPR-UHFFFAOYSA-N -1 3 372.335 3.016 20 0 FGADHM O=C1OC(c2ccc(-c3nnn[n-]3)cc2)=NC1=Cc1csc2ccccc12 ZINC000738317345 598379587 /nfs/dbraw/zinc/37/95/87/598379587.db2.gz CXOOHMNCLAMDAE-DHDCSXOGSA-N -1 3 373.397 3.426 20 0 FGADHM O=C1OC(c2ccc(-c3nn[n-]n3)cc2)=NC1=Cc1csc2ccccc12 ZINC000738317345 598379589 /nfs/dbraw/zinc/37/95/89/598379589.db2.gz CXOOHMNCLAMDAE-DHDCSXOGSA-N -1 3 373.397 3.426 20 0 FGADHM Cc1[nH]c2ccccc2c1CCNC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000737201069 598385093 /nfs/dbraw/zinc/38/50/93/598385093.db2.gz YHQWCVDBKJCQMR-ZHACJKMWSA-N -1 3 372.432 3.029 20 0 FGADHM Cc1[nH]c2ccccc2c1CCNC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000737201069 598385094 /nfs/dbraw/zinc/38/50/94/598385094.db2.gz YHQWCVDBKJCQMR-ZHACJKMWSA-N -1 3 372.432 3.029 20 0 FGADHM Clc1cc(-c2nnn[n-]2)cnc1N1CCC(COc2ccccc2)CC1 ZINC000737560891 598391659 /nfs/dbraw/zinc/39/16/59/598391659.db2.gz DSJJTASWXNZFDE-UHFFFAOYSA-N -1 3 370.844 3.211 20 0 FGADHM Clc1cc(-c2nn[n-]n2)cnc1N1CCC(COc2ccccc2)CC1 ZINC000737560891 598391660 /nfs/dbraw/zinc/39/16/60/598391660.db2.gz DSJJTASWXNZFDE-UHFFFAOYSA-N -1 3 370.844 3.211 20 0 FGADHM CCC(=O)COC(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000736305357 598424351 /nfs/dbraw/zinc/42/43/51/598424351.db2.gz UQCVPEMWSOZQMD-UHFFFAOYSA-N -1 3 368.418 3.154 20 0 FGADHM CCC(=O)COC(=O)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC000736305357 598424353 /nfs/dbraw/zinc/42/43/53/598424353.db2.gz UQCVPEMWSOZQMD-UHFFFAOYSA-N -1 3 368.418 3.154 20 0 FGADHM Cc1cc(C)cc([C@@H](C)NC(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737252803 598430393 /nfs/dbraw/zinc/43/03/93/598430393.db2.gz LBEKSJFJYGLHCB-OAHLLOKOSA-N -1 3 364.453 3.386 20 0 FGADHM Cc1cc(C)cc([C@@H](C)NC(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737252803 598430395 /nfs/dbraw/zinc/43/03/95/598430395.db2.gz LBEKSJFJYGLHCB-OAHLLOKOSA-N -1 3 364.453 3.386 20 0 FGADHM COc1ccc([C@H](C)C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCC3)cc1 ZINC000737074973 598437238 /nfs/dbraw/zinc/43/72/38/598437238.db2.gz ZQVHZNPJACKSCQ-JTQLQIEISA-N -1 3 369.450 3.168 20 0 FGADHM COc1ccc([C@H](C)C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)cc1 ZINC000737074973 598437239 /nfs/dbraw/zinc/43/72/39/598437239.db2.gz ZQVHZNPJACKSCQ-JTQLQIEISA-N -1 3 369.450 3.168 20 0 FGADHM CCCCCCOCC(=O)N(CC(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736446061 598442650 /nfs/dbraw/zinc/44/26/50/598442650.db2.gz IHEFQSWSQPRTJH-UHFFFAOYSA-N -1 3 359.474 3.453 20 0 FGADHM CCCCCCOCC(=O)N(CC(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736446061 598442651 /nfs/dbraw/zinc/44/26/51/598442651.db2.gz IHEFQSWSQPRTJH-UHFFFAOYSA-N -1 3 359.474 3.453 20 0 FGADHM COC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)N(C)c1ccc2ccccc2c1 ZINC000821649792 607357143 /nfs/dbraw/zinc/35/71/43/607357143.db2.gz DHJWMEUCNAXVLO-IBGZPJMESA-N -1 3 373.416 3.370 20 0 FGADHM CSCc1ccc(NC(=O)CCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737183346 598450461 /nfs/dbraw/zinc/45/04/61/598450461.db2.gz ZCSQQIJVNNJPOS-UHFFFAOYSA-N -1 3 353.451 3.301 20 0 FGADHM CSCc1ccc(NC(=O)CCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737183346 598450463 /nfs/dbraw/zinc/45/04/63/598450463.db2.gz ZCSQQIJVNNJPOS-UHFFFAOYSA-N -1 3 353.451 3.301 20 0 FGADHM COC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N(C)c1ccc2ccccc2c1 ZINC000821649792 607357145 /nfs/dbraw/zinc/35/71/45/607357145.db2.gz DHJWMEUCNAXVLO-IBGZPJMESA-N -1 3 373.416 3.370 20 0 FGADHM O=C(Oc1ccc(Cc2ccccc2)cc1)c1ccc(-c2nnn[n-]2)cn1 ZINC000738251027 598452045 /nfs/dbraw/zinc/45/20/45/598452045.db2.gz LIEPGEKYMBSASS-UHFFFAOYSA-N -1 3 357.373 3.072 20 0 FGADHM O=C(Oc1ccc(Cc2ccccc2)cc1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738251027 598452047 /nfs/dbraw/zinc/45/20/47/598452047.db2.gz LIEPGEKYMBSASS-UHFFFAOYSA-N -1 3 357.373 3.072 20 0 FGADHM Clc1cccc(-c2noc(COc3cccc(-c4nnn[n-]4)c3)n2)c1 ZINC000737575246 598465605 /nfs/dbraw/zinc/46/56/05/598465605.db2.gz NZPKSCFDZOSROW-UHFFFAOYSA-N -1 3 354.757 3.149 20 0 FGADHM Clc1cccc(-c2noc(COc3cccc(-c4nn[n-]n4)c3)n2)c1 ZINC000737575246 598465607 /nfs/dbraw/zinc/46/56/07/598465607.db2.gz NZPKSCFDZOSROW-UHFFFAOYSA-N -1 3 354.757 3.149 20 0 FGADHM O[C@@H](CNc1ccc(-c2nn[n-]n2)cc1F)c1cccc(C(F)(F)F)c1 ZINC000738380909 598467833 /nfs/dbraw/zinc/46/78/33/598467833.db2.gz DIBDAHNPBXEDNT-AWEZNQCLSA-N -1 3 367.306 3.170 20 0 FGADHM C[C@@H](Cc1ccc(F)cc1)C(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000736056886 598484381 /nfs/dbraw/zinc/48/43/81/598484381.db2.gz SEXMDZXDQGXMMB-STQMWFEESA-N -1 3 354.385 3.489 20 0 FGADHM C[C@@H](Cc1ccc(F)cc1)C(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000736056886 598484382 /nfs/dbraw/zinc/48/43/82/598484382.db2.gz SEXMDZXDQGXMMB-STQMWFEESA-N -1 3 354.385 3.489 20 0 FGADHM CCC(=O)Nc1cccc(C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000736309285 598486684 /nfs/dbraw/zinc/48/66/84/598486684.db2.gz MZEKMBQUJKLJRU-LBPRGKRZSA-N -1 3 365.393 3.133 20 0 FGADHM CCC(=O)Nc1cccc(C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000736309285 598486685 /nfs/dbraw/zinc/48/66/85/598486685.db2.gz MZEKMBQUJKLJRU-LBPRGKRZSA-N -1 3 365.393 3.133 20 0 FGADHM C[C@H](OC(=O)c1cc(Cl)c(Cl)n1C)c1cccc(-c2nnn[n-]2)c1 ZINC000736159779 598489315 /nfs/dbraw/zinc/48/93/15/598489315.db2.gz OPMBXXHPXVHWGE-QMMMGPOBSA-N -1 3 366.208 3.430 20 0 FGADHM C[C@H](OC(=O)c1cc(Cl)c(Cl)n1C)c1cccc(-c2nn[n-]n2)c1 ZINC000736159779 598489317 /nfs/dbraw/zinc/48/93/17/598489317.db2.gz OPMBXXHPXVHWGE-QMMMGPOBSA-N -1 3 366.208 3.430 20 0 FGADHM Cc1ccc(OCC(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1C ZINC000737364581 598490264 /nfs/dbraw/zinc/49/02/64/598490264.db2.gz LZTQDAGCMKJOTP-CQSZACIVSA-N -1 3 352.394 3.167 20 0 FGADHM Cc1ccc(OCC(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1C ZINC000737364581 598490265 /nfs/dbraw/zinc/49/02/65/598490265.db2.gz LZTQDAGCMKJOTP-CQSZACIVSA-N -1 3 352.394 3.167 20 0 FGADHM C[C@H](OC(=O)COc1ccc(Cl)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000736154691 598490641 /nfs/dbraw/zinc/49/06/41/598490641.db2.gz ABNWPQVYDMMMAB-NSHDSACASA-N -1 3 358.785 3.203 20 0 FGADHM C[C@H](OC(=O)COc1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000736154691 598490643 /nfs/dbraw/zinc/49/06/43/598490643.db2.gz ABNWPQVYDMMMAB-NSHDSACASA-N -1 3 358.785 3.203 20 0 FGADHM COc1ccc(C=CC(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737082503 598490654 /nfs/dbraw/zinc/49/06/54/598490654.db2.gz WCFLWURWVCAMPR-ZWXCPPHNSA-N -1 3 350.378 3.193 20 0 FGADHM COc1ccc(C=CC(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737082503 598490656 /nfs/dbraw/zinc/49/06/56/598490656.db2.gz WCFLWURWVCAMPR-ZWXCPPHNSA-N -1 3 350.378 3.193 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OCc1csc(-c2ccoc2)n1 ZINC000737032015 598492431 /nfs/dbraw/zinc/49/24/31/598492431.db2.gz ITCKLCWLFQAXQP-UHFFFAOYSA-N -1 3 355.379 3.171 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OCc1csc(-c2ccoc2)n1 ZINC000737032015 598492432 /nfs/dbraw/zinc/49/24/32/598492432.db2.gz ITCKLCWLFQAXQP-UHFFFAOYSA-N -1 3 355.379 3.171 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)c1sc(CC(C)C)nc1C ZINC000737023102 598496938 /nfs/dbraw/zinc/49/69/38/598496938.db2.gz ARBWOJSKOCSNIY-UHFFFAOYSA-N -1 3 373.438 3.058 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)c1sc(CC(C)C)nc1C ZINC000737023102 598496939 /nfs/dbraw/zinc/49/69/39/598496939.db2.gz ARBWOJSKOCSNIY-UHFFFAOYSA-N -1 3 373.438 3.058 20 0 FGADHM Clc1ccc(NCCc2cnn(-c3ccccc3)c2)c(-c2nnn[n-]2)c1 ZINC000737574170 598508026 /nfs/dbraw/zinc/50/80/26/598508026.db2.gz LLFIJFLTTHKGQP-UHFFFAOYSA-N -1 3 365.828 3.360 20 0 FGADHM Clc1ccc(NCCc2cnn(-c3ccccc3)c2)c(-c2nn[n-]n2)c1 ZINC000737574170 598508027 /nfs/dbraw/zinc/50/80/27/598508027.db2.gz LLFIJFLTTHKGQP-UHFFFAOYSA-N -1 3 365.828 3.360 20 0 FGADHM CCC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000736308182 598541878 /nfs/dbraw/zinc/54/18/78/598541878.db2.gz AESXSNPMUAYYIR-UHFFFAOYSA-N -1 3 357.801 3.448 20 0 FGADHM CCC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000736308182 598541879 /nfs/dbraw/zinc/54/18/79/598541879.db2.gz AESXSNPMUAYYIR-UHFFFAOYSA-N -1 3 357.801 3.448 20 0 FGADHM CC(C)C[C@@H](C)CC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000735760533 598542848 /nfs/dbraw/zinc/54/28/48/598542848.db2.gz CRHQCZRYWLEAMN-SNVBAGLBSA-N -1 3 353.373 3.479 20 0 FGADHM CC(C)C[C@@H](C)CC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000735760533 598542850 /nfs/dbraw/zinc/54/28/50/598542850.db2.gz CRHQCZRYWLEAMN-SNVBAGLBSA-N -1 3 353.373 3.479 20 0 FGADHM Fc1ccc(Br)cc1COc1ccc(-c2nnn[n-]2)c(F)c1 ZINC000737647226 598546667 /nfs/dbraw/zinc/54/66/67/598546667.db2.gz CUZFSQAUAXPGPY-UHFFFAOYSA-N -1 3 367.153 3.486 20 0 FGADHM Fc1ccc(Br)cc1COc1ccc(-c2nn[n-]n2)c(F)c1 ZINC000737647226 598546668 /nfs/dbraw/zinc/54/66/68/598546668.db2.gz CUZFSQAUAXPGPY-UHFFFAOYSA-N -1 3 367.153 3.486 20 0 FGADHM Fc1cc(OCc2csc(-c3ccccn3)n2)ccc1-c1nnn[n-]1 ZINC000737650018 598547886 /nfs/dbraw/zinc/54/78/86/598547886.db2.gz FMECKIDKQCSBBN-UHFFFAOYSA-N -1 3 354.370 3.103 20 0 FGADHM Fc1cc(OCc2csc(-c3ccccn3)n2)ccc1-c1nn[n-]n1 ZINC000737650018 598547887 /nfs/dbraw/zinc/54/78/87/598547887.db2.gz FMECKIDKQCSBBN-UHFFFAOYSA-N -1 3 354.370 3.103 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000737290798 598568631 /nfs/dbraw/zinc/56/86/31/598568631.db2.gz GHABLWHSHSEUQD-CHWSQXEVSA-N -1 3 355.348 3.196 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000737290798 598568634 /nfs/dbraw/zinc/56/86/34/598568634.db2.gz GHABLWHSHSEUQD-CHWSQXEVSA-N -1 3 355.348 3.196 20 0 FGADHM Fc1ccc(NC(=S)Nc2ccc(F)c(-c3nnn[n-]3)c2)c(F)c1 ZINC000737658027 598580763 /nfs/dbraw/zinc/58/07/63/598580763.db2.gz BTNLNXXIORQXPG-UHFFFAOYSA-N -1 3 350.329 3.093 20 0 FGADHM Fc1ccc(NC(=S)Nc2ccc(F)c(-c3nn[n-]n3)c2)c(F)c1 ZINC000737658027 598580765 /nfs/dbraw/zinc/58/07/65/598580765.db2.gz BTNLNXXIORQXPG-UHFFFAOYSA-N -1 3 350.329 3.093 20 0 FGADHM CCN1C(=O)c2cc(Cl)ccc2N[C@@H]1c1cccc(-c2nnn[n-]2)c1 ZINC000736564488 598581490 /nfs/dbraw/zinc/58/14/90/598581490.db2.gz CANYSVBESSRDTF-INIZCTEOSA-N -1 3 354.801 3.107 20 0 FGADHM CCN1C(=O)c2cc(Cl)ccc2N[C@@H]1c1cccc(-c2nn[n-]n2)c1 ZINC000736564488 598581492 /nfs/dbraw/zinc/58/14/92/598581492.db2.gz CANYSVBESSRDTF-INIZCTEOSA-N -1 3 354.801 3.107 20 0 FGADHM CCOCCC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736609526 598582098 /nfs/dbraw/zinc/58/20/98/598582098.db2.gz BQGSRNUJAMMPOO-UHFFFAOYSA-N -1 3 353.382 3.024 20 0 FGADHM CCOCCC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736609526 598582100 /nfs/dbraw/zinc/58/21/00/598582100.db2.gz BQGSRNUJAMMPOO-UHFFFAOYSA-N -1 3 353.382 3.024 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1cc2ccccc2c(Cl)n1 ZINC000738167316 598586598 /nfs/dbraw/zinc/58/65/98/598586598.db2.gz RKBACJIUDKUIHM-UHFFFAOYSA-N -1 3 368.759 3.460 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1cc2ccccc2c(Cl)n1 ZINC000738167316 598586600 /nfs/dbraw/zinc/58/66/00/598586600.db2.gz RKBACJIUDKUIHM-UHFFFAOYSA-N -1 3 368.759 3.460 20 0 FGADHM CSCc1cccc(NC(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737187821 598588056 /nfs/dbraw/zinc/58/80/56/598588056.db2.gz VZZUWIAKDCFTPI-LBPRGKRZSA-N -1 3 369.450 3.136 20 0 FGADHM O=C(Nc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1)c1cc[nH]c1 ZINC000738184062 598590507 /nfs/dbraw/zinc/59/05/07/598590507.db2.gz AMYSGYDBBJEJAF-UHFFFAOYSA-N -1 3 360.377 3.026 20 0 FGADHM O=C(Nc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1)c1cc[nH]c1 ZINC000738184062 598590509 /nfs/dbraw/zinc/59/05/09/598590509.db2.gz AMYSGYDBBJEJAF-UHFFFAOYSA-N -1 3 360.377 3.026 20 0 FGADHM CCc1cc(Oc2ccc(-c3nnn[n-]3)cc2C)nc(-c2ccccn2)n1 ZINC000736677734 598592271 /nfs/dbraw/zinc/59/22/71/598592271.db2.gz MNCSRAIYSPVJQD-UHFFFAOYSA-N -1 3 359.393 3.382 20 0 FGADHM CCc1cc(Oc2ccc(-c3nn[n-]n3)cc2C)nc(-c2ccccn2)n1 ZINC000736677734 598592273 /nfs/dbraw/zinc/59/22/73/598592273.db2.gz MNCSRAIYSPVJQD-UHFFFAOYSA-N -1 3 359.393 3.382 20 0 FGADHM c1ccc(-c2nnn[n-]2)c(COc2cccc(-c3nc(C4CC4)no3)c2)c1 ZINC000738419994 598610379 /nfs/dbraw/zinc/61/03/79/598610379.db2.gz VNCIAYPMCHDKHV-UHFFFAOYSA-N -1 3 360.377 3.373 20 0 FGADHM c1ccc(-c2nn[n-]n2)c(COc2cccc(-c3nc(C4CC4)no3)c2)c1 ZINC000738419994 598610380 /nfs/dbraw/zinc/61/03/80/598610380.db2.gz VNCIAYPMCHDKHV-UHFFFAOYSA-N -1 3 360.377 3.373 20 0 FGADHM COc1ccc(Cc2noc(C=Cc3ccccc3-c3nnn[n-]3)n2)cc1 ZINC000737097017 598611258 /nfs/dbraw/zinc/61/12/58/598611258.db2.gz HAEONUMQGQLPGW-FLIBITNWSA-N -1 3 360.377 3.020 20 0 FGADHM COc1ccc(Cc2noc(C=Cc3ccccc3-c3nn[n-]n3)n2)cc1 ZINC000737097017 598611259 /nfs/dbraw/zinc/61/12/59/598611259.db2.gz HAEONUMQGQLPGW-FLIBITNWSA-N -1 3 360.377 3.020 20 0 FGADHM Cc1c(NC(=O)[C@H](c2cccc(Cl)c2)N(C)C)cccc1-c1nn[n-]n1 ZINC000822059667 607361318 /nfs/dbraw/zinc/36/13/18/607361318.db2.gz DVPIZOUJIXILJY-INIZCTEOSA-N -1 3 370.844 3.070 20 0 FGADHM C[C@@H](NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1c(F)cccc1F ZINC000736117580 598628844 /nfs/dbraw/zinc/62/88/44/598628844.db2.gz QJHOBNQMOMBIKE-MRVPVSSYSA-N -1 3 362.315 3.167 20 0 FGADHM C[C@@H](NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1c(F)cccc1F ZINC000736117580 598628846 /nfs/dbraw/zinc/62/88/46/598628846.db2.gz QJHOBNQMOMBIKE-MRVPVSSYSA-N -1 3 362.315 3.167 20 0 FGADHM O=C(NCCc1ccccc1Cl)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738088412 598629862 /nfs/dbraw/zinc/62/98/62/598629862.db2.gz NXVUDNLXYGUADE-UHFFFAOYSA-N -1 3 360.780 3.023 20 0 FGADHM O=C(NCCc1ccccc1Cl)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738088412 598629864 /nfs/dbraw/zinc/62/98/64/598629864.db2.gz NXVUDNLXYGUADE-UHFFFAOYSA-N -1 3 360.780 3.023 20 0 FGADHM Cc1cccc(NC(=O)CN(C)c2cc(Cl)ccc2-c2nnn[n-]2)c1C ZINC000737401608 598631536 /nfs/dbraw/zinc/63/15/36/598631536.db2.gz ZVHSCVLGOVHSCB-UHFFFAOYSA-N -1 3 370.844 3.212 20 0 FGADHM Cc1cccc(NC(=O)CN(C)c2cc(Cl)ccc2-c2nn[n-]n2)c1C ZINC000737401608 598631537 /nfs/dbraw/zinc/63/15/37/598631537.db2.gz ZVHSCVLGOVHSCB-UHFFFAOYSA-N -1 3 370.844 3.212 20 0 FGADHM O[C@H](c1ccccc1)C1CCN(c2c(Cl)cccc2-c2nnn[n-]2)CC1 ZINC000738388992 598632615 /nfs/dbraw/zinc/63/26/15/598632615.db2.gz VBKIEYKCCKRCFR-GOSISDBHSA-N -1 3 369.856 3.470 20 0 FGADHM O[C@H](c1ccccc1)C1CCN(c2c(Cl)cccc2-c2nn[n-]n2)CC1 ZINC000738388992 598632617 /nfs/dbraw/zinc/63/26/17/598632617.db2.gz VBKIEYKCCKRCFR-GOSISDBHSA-N -1 3 369.856 3.470 20 0 FGADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)O[C@H](c1ccccc1)c1cccnc1 ZINC000737955194 598641764 /nfs/dbraw/zinc/64/17/64/598641764.db2.gz AMXGCEBTZKLVLQ-HXUWFJFHSA-N -1 3 371.400 3.137 20 0 FGADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)O[C@H](c1ccccc1)c1cccnc1 ZINC000737955194 598641765 /nfs/dbraw/zinc/64/17/65/598641765.db2.gz AMXGCEBTZKLVLQ-HXUWFJFHSA-N -1 3 371.400 3.137 20 0 FGADHM Cc1cccc(NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737401518 598643853 /nfs/dbraw/zinc/64/38/53/598643853.db2.gz YUAOLRBNXVTQCV-UHFFFAOYSA-N -1 3 351.410 3.363 20 0 FGADHM Cc1cccc(NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737401518 598643855 /nfs/dbraw/zinc/64/38/55/598643855.db2.gz YUAOLRBNXVTQCV-UHFFFAOYSA-N -1 3 351.410 3.363 20 0 FGADHM S=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CC[C@@H](c2ccco2)C1 ZINC000738400258 598644283 /nfs/dbraw/zinc/64/42/83/598644283.db2.gz CGNCWBICSBREGP-SNVBAGLBSA-N -1 3 374.857 3.299 20 0 FGADHM S=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CC[C@@H](c2ccco2)C1 ZINC000738400258 598644285 /nfs/dbraw/zinc/64/42/85/598644285.db2.gz CGNCWBICSBREGP-SNVBAGLBSA-N -1 3 374.857 3.299 20 0 FGADHM C[C@@H](NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)c1cccs1 ZINC000736096745 598646444 /nfs/dbraw/zinc/64/64/44/598646444.db2.gz BIVDDERKQYLJID-CYBMUJFWSA-N -1 3 371.466 3.355 20 0 FGADHM C[C@@H](NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)c1cccs1 ZINC000736096745 598646445 /nfs/dbraw/zinc/64/64/45/598646445.db2.gz BIVDDERKQYLJID-CYBMUJFWSA-N -1 3 371.466 3.355 20 0 FGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)Nc1ccc(Cl)cc1F ZINC000737941683 598648036 /nfs/dbraw/zinc/64/80/36/598648036.db2.gz PEJJWWPJUVGWRW-UHFFFAOYSA-N -1 3 363.805 3.390 20 0 FGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)Nc1ccc(Cl)cc1F ZINC000737941683 598648037 /nfs/dbraw/zinc/64/80/37/598648037.db2.gz PEJJWWPJUVGWRW-UHFFFAOYSA-N -1 3 363.805 3.390 20 0 FGADHM C[C@H]1CCC[C@H](C)C1NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736244114 598649676 /nfs/dbraw/zinc/64/96/76/598649676.db2.gz DYUQDRUQUAAHSQ-GJZGRUSLSA-N -1 3 371.485 3.357 20 0 FGADHM C[C@H]1CCC[C@H](C)C1NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736244114 598649678 /nfs/dbraw/zinc/64/96/78/598649678.db2.gz DYUQDRUQUAAHSQ-GJZGRUSLSA-N -1 3 371.485 3.357 20 0 FGADHM CC[C@@H](Sc1ccccc1)C(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736389005 598649968 /nfs/dbraw/zinc/64/99/68/598649968.db2.gz ANRZLIRLRIGFGE-QGZVFWFLSA-N -1 3 367.478 3.396 20 0 FGADHM CC[C@@H](Sc1ccccc1)C(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736389005 598649969 /nfs/dbraw/zinc/64/99/69/598649969.db2.gz ANRZLIRLRIGFGE-QGZVFWFLSA-N -1 3 367.478 3.396 20 0 FGADHM CCN(C(=O)CC[C@@H]1CCCCO1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736502637 598651752 /nfs/dbraw/zinc/65/17/52/598651752.db2.gz OXWYYCZIZBHILO-YOEHRIQHSA-N -1 3 357.458 3.126 20 0 FGADHM CCN(C(=O)CC[C@@H]1CCCCO1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736502637 598651753 /nfs/dbraw/zinc/65/17/53/598651753.db2.gz OXWYYCZIZBHILO-YOEHRIQHSA-N -1 3 357.458 3.126 20 0 FGADHM CCC[C@H](C)N(C)C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000736424279 598652995 /nfs/dbraw/zinc/65/29/95/598652995.db2.gz PVCZENOAMXXZLR-ZDUSSCGKSA-N -1 3 366.425 3.315 20 0 FGADHM CCC[C@H](C)N(C)C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000736424279 598652996 /nfs/dbraw/zinc/65/29/96/598652996.db2.gz PVCZENOAMXXZLR-ZDUSSCGKSA-N -1 3 366.425 3.315 20 0 FGADHM C[C@@H]1CCN(C(=O)CSc2ccc(-c3nnn[n-]3)cc2)c2ccccc21 ZINC000736279252 598653515 /nfs/dbraw/zinc/65/35/15/598653515.db2.gz WXMOBOBWSXUKGK-CYBMUJFWSA-N -1 3 365.462 3.499 20 0 FGADHM C[C@@H]1CCN(C(=O)CSc2ccc(-c3nn[n-]n3)cc2)c2ccccc21 ZINC000736279252 598653517 /nfs/dbraw/zinc/65/35/17/598653517.db2.gz WXMOBOBWSXUKGK-CYBMUJFWSA-N -1 3 365.462 3.499 20 0 FGADHM Cc1ccc(C)c(N(C)C(=O)CSc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737323106 598655466 /nfs/dbraw/zinc/65/54/66/598655466.db2.gz OQMFWMFHNBYGPJ-UHFFFAOYSA-N -1 3 353.451 3.239 20 0 FGADHM Cc1ccc(C)c(N(C)C(=O)CSc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737323106 598655467 /nfs/dbraw/zinc/65/54/67/598655467.db2.gz OQMFWMFHNBYGPJ-UHFFFAOYSA-N -1 3 353.451 3.239 20 0 FGADHM CC(C)(NC(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000735671887 598656061 /nfs/dbraw/zinc/65/60/61/598656061.db2.gz QMUJMVPHZSZGQV-UHFFFAOYSA-N -1 3 353.451 3.010 20 0 FGADHM CC(C)(NC(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000735671887 598656063 /nfs/dbraw/zinc/65/60/63/598656063.db2.gz QMUJMVPHZSZGQV-UHFFFAOYSA-N -1 3 353.451 3.010 20 0 FGADHM COc1cc(CN(C)c2ccc(-c3nnn[n-]3)c(Cl)c2)cc(OC)c1 ZINC000737045796 598658074 /nfs/dbraw/zinc/65/80/74/598658074.db2.gz NOXJBCNEFWLGFB-UHFFFAOYSA-N -1 3 359.817 3.174 20 0 FGADHM COc1cc(CN(C)c2ccc(-c3nn[n-]n3)c(Cl)c2)cc(OC)c1 ZINC000737045796 598658076 /nfs/dbraw/zinc/65/80/76/598658076.db2.gz NOXJBCNEFWLGFB-UHFFFAOYSA-N -1 3 359.817 3.174 20 0 FGADHM CCCCN(CC)c1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000736457173 598658650 /nfs/dbraw/zinc/65/86/50/598658650.db2.gz ROTIBWSZLDYKDB-UHFFFAOYSA-N -1 3 365.441 3.140 20 0 FGADHM CCCCN(CC)c1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000736457173 598658651 /nfs/dbraw/zinc/65/86/51/598658651.db2.gz ROTIBWSZLDYKDB-UHFFFAOYSA-N -1 3 365.441 3.140 20 0 FGADHM CCC[C@@H]1CCCC[C@H]1NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736437607 598659822 /nfs/dbraw/zinc/65/98/22/598659822.db2.gz VUEBVJNUYYMBSE-CZUORRHYSA-N -1 3 359.499 3.434 20 0 FGADHM CCC[C@@H]1CCCC[C@H]1NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736437607 598659823 /nfs/dbraw/zinc/65/98/23/598659823.db2.gz VUEBVJNUYYMBSE-CZUORRHYSA-N -1 3 359.499 3.434 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cn1)c1cc2c(s1)-c1ccccc1CC2 ZINC000738151481 598663491 /nfs/dbraw/zinc/66/34/91/598663491.db2.gz KSKSORCRMSMBCX-UHFFFAOYSA-N -1 3 374.429 3.341 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cn1)c1cc2c(s1)-c1ccccc1CC2 ZINC000738151481 598663493 /nfs/dbraw/zinc/66/34/93/598663493.db2.gz KSKSORCRMSMBCX-UHFFFAOYSA-N -1 3 374.429 3.341 20 0 FGADHM C[C@H](CSc1ccccc1)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000736049286 598664564 /nfs/dbraw/zinc/66/45/64/598664564.db2.gz ZPNYZBOVFDOMDM-GFCCVEGCSA-N -1 3 371.441 3.050 20 0 FGADHM C[C@H](CSc1ccccc1)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000736049286 598664566 /nfs/dbraw/zinc/66/45/66/598664566.db2.gz ZPNYZBOVFDOMDM-GFCCVEGCSA-N -1 3 371.441 3.050 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)c1cc(Cl)ccc1F ZINC000738229867 598705424 /nfs/dbraw/zinc/70/54/24/598705424.db2.gz AXYPSQNTGIZBSJ-UHFFFAOYSA-N -1 3 350.712 3.155 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)c1cc(Cl)ccc1F ZINC000738229867 598705426 /nfs/dbraw/zinc/70/54/26/598705426.db2.gz AXYPSQNTGIZBSJ-UHFFFAOYSA-N -1 3 350.712 3.155 20 0 FGADHM CC(C)c1ccc(OCC(=O)OCc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000735928927 598706099 /nfs/dbraw/zinc/70/60/99/598706099.db2.gz RWVDCIJLAGTPTC-UHFFFAOYSA-N -1 3 370.384 3.251 20 0 FGADHM CC(C)c1ccc(OCC(=O)OCc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000735928927 598706101 /nfs/dbraw/zinc/70/61/01/598706101.db2.gz RWVDCIJLAGTPTC-UHFFFAOYSA-N -1 3 370.384 3.251 20 0 FGADHM CCSc1ccccc1C(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000736665695 598706139 /nfs/dbraw/zinc/70/61/39/598706139.db2.gz HFUBGXKSCOEZNY-UHFFFAOYSA-N -1 3 358.398 3.475 20 0 FGADHM CCSc1ccccc1C(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000736665695 598706141 /nfs/dbraw/zinc/70/61/41/598706141.db2.gz HFUBGXKSCOEZNY-UHFFFAOYSA-N -1 3 358.398 3.475 20 0 FGADHM C[C@@H](SCc1ccccc1)C(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000736189850 598707225 /nfs/dbraw/zinc/70/72/25/598707225.db2.gz CQXHTPDAFYWEAF-GFCCVEGCSA-N -1 3 372.425 3.371 20 0 FGADHM C[C@@H](SCc1ccccc1)C(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000736189850 598707227 /nfs/dbraw/zinc/70/72/27/598707227.db2.gz CQXHTPDAFYWEAF-GFCCVEGCSA-N -1 3 372.425 3.371 20 0 FGADHM O=C(Cc1cc2ccccc2o1)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737954946 598710193 /nfs/dbraw/zinc/71/01/93/598710193.db2.gz TXEMFTGKGDZCRY-UHFFFAOYSA-N -1 3 352.325 3.038 20 0 FGADHM O=C(Cc1cc2ccccc2o1)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737954946 598710194 /nfs/dbraw/zinc/71/01/94/598710194.db2.gz TXEMFTGKGDZCRY-UHFFFAOYSA-N -1 3 352.325 3.038 20 0 FGADHM CC(C)[C@@H]1CCCC[C@H]1NC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000735752183 598726674 /nfs/dbraw/zinc/72/66/74/598726674.db2.gz YMZSRCVFEVTYCK-DLBZAZTESA-N -1 3 356.474 3.223 20 0 FGADHM CC(C)[C@@H]1CCCC[C@H]1NC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000735752183 598726675 /nfs/dbraw/zinc/72/66/75/598726675.db2.gz YMZSRCVFEVTYCK-DLBZAZTESA-N -1 3 356.474 3.223 20 0 FGADHM C[C@H]1Cc2ccccc2[C@@H]1NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736295918 598730721 /nfs/dbraw/zinc/73/07/21/598730721.db2.gz BWBMXWMSEABONO-MGPLVRAMSA-N -1 3 352.373 3.061 20 0 FGADHM C[C@H]1Cc2ccccc2[C@@H]1NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736295918 598730722 /nfs/dbraw/zinc/73/07/22/598730722.db2.gz BWBMXWMSEABONO-MGPLVRAMSA-N -1 3 352.373 3.061 20 0 FGADHM CCS[C@@H]1CCCCN(C(=O)C=Cc2ccccc2-c2nnn[n-]2)C1 ZINC000736668324 598742861 /nfs/dbraw/zinc/74/28/61/598742861.db2.gz ZPWCREDLRISQTC-AUECHBEKSA-N -1 3 357.483 3.014 20 0 FGADHM CCS[C@@H]1CCCCN(C(=O)C=Cc2ccccc2-c2nn[n-]n2)C1 ZINC000736668324 598742862 /nfs/dbraw/zinc/74/28/62/598742862.db2.gz ZPWCREDLRISQTC-AUECHBEKSA-N -1 3 357.483 3.014 20 0 FGADHM Cn1ncc2c1CCC[C@H]2Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000737626398 598744701 /nfs/dbraw/zinc/74/47/01/598744701.db2.gz BOWJHWIKWGOCSB-CYBMUJFWSA-N -1 3 363.347 3.109 20 0 FGADHM Cn1ncc2c1CCC[C@H]2Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000737626398 598744703 /nfs/dbraw/zinc/74/47/03/598744703.db2.gz BOWJHWIKWGOCSB-CYBMUJFWSA-N -1 3 363.347 3.109 20 0 FGADHM O=C(Nc1nnc(CC2CCCCC2)s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738207231 598749726 /nfs/dbraw/zinc/74/97/26/598749726.db2.gz FZGPNZUXHQYQBQ-UHFFFAOYSA-N -1 3 369.454 3.093 20 0 FGADHM O=C(Nc1nnc(CC2CCCCC2)s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738207231 598749728 /nfs/dbraw/zinc/74/97/28/598749728.db2.gz FZGPNZUXHQYQBQ-UHFFFAOYSA-N -1 3 369.454 3.093 20 0 FGADHM Cc1cc(C)c(-c2nnn[n-]2)c(N2CCO[C@@H](c3ccccc3Cl)C2)n1 ZINC000737244544 598756203 /nfs/dbraw/zinc/75/62/03/598756203.db2.gz HJJMERPWQYFQNZ-OAHLLOKOSA-N -1 3 370.844 3.110 20 0 FGADHM Cc1cc(C)c(-c2nn[n-]n2)c(N2CCO[C@@H](c3ccccc3Cl)C2)n1 ZINC000737244544 598756204 /nfs/dbraw/zinc/75/62/04/598756204.db2.gz HJJMERPWQYFQNZ-OAHLLOKOSA-N -1 3 370.844 3.110 20 0 FGADHM C[C@@H](Nc1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21)c1ccccn1 ZINC000736140696 598770102 /nfs/dbraw/zinc/77/01/02/598770102.db2.gz ZUOOAOMDPHOOGT-SECBINFHSA-N -1 3 353.336 3.261 20 0 FGADHM C[C@@H](Nc1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21)c1ccccn1 ZINC000736140696 598770104 /nfs/dbraw/zinc/77/01/04/598770104.db2.gz ZUOOAOMDPHOOGT-SECBINFHSA-N -1 3 353.336 3.261 20 0 FGADHM CN(Cc1cccc(F)c1)c1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21 ZINC000736829013 598770804 /nfs/dbraw/zinc/77/08/04/598770804.db2.gz UVGNKECMOYAAIV-UHFFFAOYSA-N -1 3 370.338 3.469 20 0 FGADHM CN(Cc1cccc(F)c1)c1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21 ZINC000736829013 598770805 /nfs/dbraw/zinc/77/08/05/598770805.db2.gz UVGNKECMOYAAIV-UHFFFAOYSA-N -1 3 370.338 3.469 20 0 FGADHM Cc1cccc2[nH]cc(CC(=O)OCc3ccc(F)cc3-c3nnn[n-]3)c21 ZINC000737411198 598779678 /nfs/dbraw/zinc/77/96/78/598779678.db2.gz ZIEUEQVWLBOWIA-UHFFFAOYSA-N -1 3 365.368 3.081 20 0 FGADHM Cc1cccc2[nH]cc(CC(=O)OCc3ccc(F)cc3-c3nn[n-]n3)c21 ZINC000737411198 598779680 /nfs/dbraw/zinc/77/96/80/598779680.db2.gz ZIEUEQVWLBOWIA-UHFFFAOYSA-N -1 3 365.368 3.081 20 0 FGADHM CC(C)[C@H]1CCC[C@H](NC(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736113541 598781213 /nfs/dbraw/zinc/78/12/13/598781213.db2.gz PLCWHSHIVWDKNP-JQFCIGGWSA-N -1 3 356.474 3.442 20 0 FGADHM CC(C)[C@H]1CCC[C@H](NC(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736113541 598781214 /nfs/dbraw/zinc/78/12/14/598781214.db2.gz PLCWHSHIVWDKNP-JQFCIGGWSA-N -1 3 356.474 3.442 20 0 FGADHM CCN(C)C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000736510052 598788525 /nfs/dbraw/zinc/78/85/25/598788525.db2.gz OXRLLPFZTCHZGT-UHFFFAOYSA-N -1 3 352.398 3.451 20 0 FGADHM CCN(C)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000736510052 598788527 /nfs/dbraw/zinc/78/85/27/598788527.db2.gz OXRLLPFZTCHZGT-UHFFFAOYSA-N -1 3 352.398 3.451 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cccc(C(F)F)c1 ZINC000736634518 598790228 /nfs/dbraw/zinc/79/02/28/598790228.db2.gz JPBJAGGVWFVQGC-UHFFFAOYSA-N -1 3 359.336 3.455 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cccc(C(F)F)c1 ZINC000736634518 598790230 /nfs/dbraw/zinc/79/02/30/598790230.db2.gz JPBJAGGVWFVQGC-UHFFFAOYSA-N -1 3 359.336 3.455 20 0 FGADHM Cc1cc(C)c(NC(=O)CNc2ccc(Cl)cc2-c2nnn[n-]2)c(C)c1 ZINC000737246896 598791707 /nfs/dbraw/zinc/79/17/07/598791707.db2.gz PRYBFXAVQOGNCN-UHFFFAOYSA-N -1 3 370.844 3.496 20 0 FGADHM Cc1cc(C)c(NC(=O)CNc2ccc(Cl)cc2-c2nn[n-]n2)c(C)c1 ZINC000737246896 598791708 /nfs/dbraw/zinc/79/17/08/598791708.db2.gz PRYBFXAVQOGNCN-UHFFFAOYSA-N -1 3 370.844 3.496 20 0 FGADHM CC(C)CN(C(=O)CO[C@@H]1CCCC[C@@H]1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000735819110 598803571 /nfs/dbraw/zinc/80/35/71/598803571.db2.gz SOGLMMVKAFLLIR-MAUKXSAKSA-N -1 3 371.485 3.451 20 0 FGADHM CC(C)CN(C(=O)CO[C@@H]1CCCC[C@@H]1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000735819110 598803573 /nfs/dbraw/zinc/80/35/73/598803573.db2.gz SOGLMMVKAFLLIR-MAUKXSAKSA-N -1 3 371.485 3.451 20 0 FGADHM CCC(C)(CC)NC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000736314189 598806414 /nfs/dbraw/zinc/80/64/14/598806414.db2.gz LUEMWIZXBBYNER-UHFFFAOYSA-N -1 3 369.425 3.347 20 0 FGADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@H]1CC[C@@H](C)C[C@H]1C ZINC000736242090 598808104 /nfs/dbraw/zinc/80/81/04/598808104.db2.gz PPDOYNUYVFCPJW-AHEZYBDSSA-N -1 3 371.485 3.211 20 0 FGADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@H]1CC[C@@H](C)C[C@H]1C ZINC000736242090 598808106 /nfs/dbraw/zinc/80/81/06/598808106.db2.gz PPDOYNUYVFCPJW-AHEZYBDSSA-N -1 3 371.485 3.211 20 0 FGADHM CC[C@H](CC(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1)C(C)C ZINC000736331086 598821235 /nfs/dbraw/zinc/82/12/35/598821235.db2.gz HWJVOANCGYQZQV-OAHLLOKOSA-N -1 3 371.485 3.309 20 0 FGADHM Cc1csc([C@H]2CCCCN2C(=O)c2sccc2-c2nnn[n-]2)n1 ZINC000737454974 598821967 /nfs/dbraw/zinc/82/19/67/598821967.db2.gz KUIVUUORXRIFKW-LLVKDONJSA-N -1 3 360.468 3.061 20 0 FGADHM Cc1csc([C@H]2CCCCN2C(=O)c2sccc2-c2nn[n-]n2)n1 ZINC000737454974 598821969 /nfs/dbraw/zinc/82/19/69/598821969.db2.gz KUIVUUORXRIFKW-LLVKDONJSA-N -1 3 360.468 3.061 20 0 FGADHM Cc1cc(Cl)ccc1O[C@H](C)C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737265561 599306392 /nfs/dbraw/zinc/30/63/92/599306392.db2.gz WWZFUCSGEAJWNG-GFCCVEGCSA-N -1 3 371.828 3.259 20 0 FGADHM Cc1cc(Cl)ccc1O[C@H](C)C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737265561 599306395 /nfs/dbraw/zinc/30/63/95/599306395.db2.gz WWZFUCSGEAJWNG-GFCCVEGCSA-N -1 3 371.828 3.259 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1CSCc1cccc2c1OCCO2 ZINC000821751749 607367856 /nfs/dbraw/zinc/36/78/56/607367856.db2.gz BIKJUEYLZSKWRQ-UHFFFAOYSA-N -1 3 370.434 3.080 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1CSCc1cccc2c1OCCO2 ZINC000821751749 607367857 /nfs/dbraw/zinc/36/78/57/607367857.db2.gz BIKJUEYLZSKWRQ-UHFFFAOYSA-N -1 3 370.434 3.080 20 0 FGADHM CN(C(=O)C=Cc1nc2ccccc2s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736731467 599310077 /nfs/dbraw/zinc/31/00/77/599310077.db2.gz DQSJUNWANGUIEH-KHPPLWFESA-N -1 3 362.418 3.153 20 0 FGADHM CN(C(=O)C=Cc1nc2ccccc2s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736731467 599310079 /nfs/dbraw/zinc/31/00/79/599310079.db2.gz DQSJUNWANGUIEH-KHPPLWFESA-N -1 3 362.418 3.153 20 0 FGADHM CCOc1ccc(OCC)c(NCc2cc(-c3nnn[n-]3)ccc2OC)c1 ZINC000821426953 607368596 /nfs/dbraw/zinc/36/85/96/607368596.db2.gz KWROHTQGUQEYKD-UHFFFAOYSA-N -1 3 369.425 3.285 20 0 FGADHM CCOc1ccc(OCC)c(NCc2cc(-c3nn[n-]n3)ccc2OC)c1 ZINC000821426953 607368597 /nfs/dbraw/zinc/36/85/97/607368597.db2.gz KWROHTQGUQEYKD-UHFFFAOYSA-N -1 3 369.425 3.285 20 0 FGADHM CCC(=O)Nc1ccc(C)c(NCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000736308917 599327882 /nfs/dbraw/zinc/32/78/82/599327882.db2.gz JNQXMPHWWFJKJX-UHFFFAOYSA-N -1 3 366.425 3.015 20 0 FGADHM CCC(=O)Nc1ccc(C)c(NCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC000736308917 599327884 /nfs/dbraw/zinc/32/78/84/599327884.db2.gz JNQXMPHWWFJKJX-UHFFFAOYSA-N -1 3 366.425 3.015 20 0 FGADHM C[C@@H](SCC(=O)N1CCc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000736191003 599328905 /nfs/dbraw/zinc/32/89/05/599328905.db2.gz VFJRUZIGIXLKSU-CYBMUJFWSA-N -1 3 365.462 3.250 20 0 FGADHM C[C@@H](SCC(=O)N1CCc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000736191003 599328906 /nfs/dbraw/zinc/32/89/06/599328906.db2.gz VFJRUZIGIXLKSU-CYBMUJFWSA-N -1 3 365.462 3.250 20 0 FGADHM COC(=O)/C(C)=C\CSc1nc(-c2ccccc2)ccc1-c1nnn[n-]1 ZINC000821639222 599342720 /nfs/dbraw/zinc/34/27/20/599342720.db2.gz SIMVXSXDMXTIMV-BENRWUELSA-N -1 3 367.434 3.140 20 0 FGADHM COC(=O)/C(C)=C\CSc1nc(-c2ccccc2)ccc1-c1nn[n-]n1 ZINC000821639222 599342722 /nfs/dbraw/zinc/34/27/22/599342722.db2.gz SIMVXSXDMXTIMV-BENRWUELSA-N -1 3 367.434 3.140 20 0 FGADHM O=C(CSc1ccccc1-c1nnn[n-]1)N[C@H](c1ccccc1)C1CC1 ZINC000823070973 599343629 /nfs/dbraw/zinc/34/36/29/599343629.db2.gz VPXFXHPVKSPMJQ-GOSISDBHSA-N -1 3 365.462 3.226 20 0 FGADHM O=C(CSc1ccccc1-c1nn[n-]n1)N[C@H](c1ccccc1)C1CC1 ZINC000823070973 599343631 /nfs/dbraw/zinc/34/36/31/599343631.db2.gz VPXFXHPVKSPMJQ-GOSISDBHSA-N -1 3 365.462 3.226 20 0 FGADHM C[C@@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)c1ccc(-n2cccn2)cc1 ZINC000820462297 599356450 /nfs/dbraw/zinc/35/64/50/599356450.db2.gz XBCGPBQTBCNOML-LLVKDONJSA-N -1 3 366.816 3.274 20 0 FGADHM C[C@@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)c1ccc(-n2cccn2)cc1 ZINC000820462297 599356455 /nfs/dbraw/zinc/35/64/55/599356455.db2.gz XBCGPBQTBCNOML-LLVKDONJSA-N -1 3 366.816 3.274 20 0 FGADHM C[C@@H](CC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2)c1cccnc1 ZINC000735974888 599369009 /nfs/dbraw/zinc/36/90/09/599369009.db2.gz CYCZBASSHPRTFL-NSHDSACASA-N -1 3 368.466 3.334 20 0 FGADHM C[C@@H](CC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2)c1cccnc1 ZINC000735974888 599369014 /nfs/dbraw/zinc/36/90/14/599369014.db2.gz CYCZBASSHPRTFL-NSHDSACASA-N -1 3 368.466 3.334 20 0 FGADHM CSCC[C@@H](C)N(C)C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737175773 599370121 /nfs/dbraw/zinc/37/01/21/599370121.db2.gz HHDHYFVKSIPIFW-SECBINFHSA-N -1 3 370.935 3.290 20 0 FGADHM CSCC[C@@H](C)N(C)C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737175773 599370123 /nfs/dbraw/zinc/37/01/23/599370123.db2.gz HHDHYFVKSIPIFW-SECBINFHSA-N -1 3 370.935 3.290 20 0 FGADHM COC[C@H](C)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000821683217 599373625 /nfs/dbraw/zinc/37/36/25/599373625.db2.gz YGRWGEKWPLTXSU-LBPRGKRZSA-N -1 3 357.389 3.032 20 0 FGADHM COC[C@H](C)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000821683217 599373628 /nfs/dbraw/zinc/37/36/28/599373628.db2.gz YGRWGEKWPLTXSU-LBPRGKRZSA-N -1 3 357.389 3.032 20 0 FGADHM CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736962853 599378680 /nfs/dbraw/zinc/37/86/80/599378680.db2.gz QRUIWLKCORGKEV-MEDUHNTESA-N -1 3 371.828 3.026 20 0 FGADHM CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736962853 599378684 /nfs/dbraw/zinc/37/86/84/599378684.db2.gz QRUIWLKCORGKEV-MEDUHNTESA-N -1 3 371.828 3.026 20 0 FGADHM O=C1[C@H](Oc2ccc(-c3nn[n-]n3)cc2)CCCN1c1ccccc1Cl ZINC000823512322 599380181 /nfs/dbraw/zinc/38/01/81/599380181.db2.gz NBMRSQLFDYXICZ-MRXNPFEDSA-N -1 3 369.812 3.095 20 0 FGADHM COc1ccc(OC(C)C)c(NCc2cc(-c3nnn[n-]3)ccc2OC)c1 ZINC000821838421 607371911 /nfs/dbraw/zinc/37/19/11/607371911.db2.gz NJPFDRCRKBCMLU-UHFFFAOYSA-N -1 3 369.425 3.283 20 0 FGADHM COc1ccc(OC(C)C)c(NCc2cc(-c3nn[n-]n3)ccc2OC)c1 ZINC000821838421 607371913 /nfs/dbraw/zinc/37/19/13/607371913.db2.gz NJPFDRCRKBCMLU-UHFFFAOYSA-N -1 3 369.425 3.283 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1OCc1ccn(-c2ccc(F)cc2)n1 ZINC000822137943 599385113 /nfs/dbraw/zinc/38/51/13/599385113.db2.gz YKPUSZGXYCKANV-UHFFFAOYSA-N -1 3 350.357 3.079 20 0 FGADHM CCN(CC)c1ccc(CNc2cc(Cl)ccc2-c2nnn[n-]2)cn1 ZINC000736533303 599409146 /nfs/dbraw/zinc/40/91/46/599409146.db2.gz YGEMNKOOPSTYBU-UHFFFAOYSA-N -1 3 357.849 3.373 20 0 FGADHM CCN(CC)c1ccc(CNc2cc(Cl)ccc2-c2nn[n-]n2)cn1 ZINC000736533303 599409147 /nfs/dbraw/zinc/40/91/47/599409147.db2.gz YGEMNKOOPSTYBU-UHFFFAOYSA-N -1 3 357.849 3.373 20 0 FGADHM Cc1ccc(CNC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c(C)c1 ZINC000822237115 599415167 /nfs/dbraw/zinc/41/51/67/599415167.db2.gz FYBPBNJTFNIDKJ-AWEZNQCLSA-N -1 3 350.426 3.044 20 0 FGADHM Cc1ccc(CNC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c(C)c1 ZINC000822237115 599415171 /nfs/dbraw/zinc/41/51/71/599415171.db2.gz FYBPBNJTFNIDKJ-AWEZNQCLSA-N -1 3 350.426 3.044 20 0 FGADHM c1ccc(N2CCC(Nc3cc(-c4nnn[n-]4)c4ccccc4n3)CC2)cc1 ZINC000738436482 599418080 /nfs/dbraw/zinc/41/80/80/599418080.db2.gz RFJWIQZIPOSZHH-UHFFFAOYSA-N -1 3 371.448 3.496 20 0 FGADHM c1ccc(N2CCC(Nc3cc(-c4nn[n-]n4)c4ccccc4n3)CC2)cc1 ZINC000738436482 599418081 /nfs/dbraw/zinc/41/80/81/599418081.db2.gz RFJWIQZIPOSZHH-UHFFFAOYSA-N -1 3 371.448 3.496 20 0 FGADHM Cc1ccccc1C[C@@H](C)NC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822356471 599423002 /nfs/dbraw/zinc/42/30/02/599423002.db2.gz UHOXNBIMCJOKSG-HUUCEWRRSA-N -1 3 364.453 3.167 20 0 FGADHM Cc1ccccc1C[C@@H](C)NC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822356471 599423005 /nfs/dbraw/zinc/42/30/05/599423005.db2.gz UHOXNBIMCJOKSG-HUUCEWRRSA-N -1 3 364.453 3.167 20 0 FGADHM Fc1cc(F)cc(CCNc2cc(-c3nnn[n-]3)c3ccccc3n2)c1 ZINC000737648759 599423118 /nfs/dbraw/zinc/42/31/18/599423118.db2.gz BSJHSVGQTNYLBU-UHFFFAOYSA-N -1 3 352.348 3.348 20 0 FGADHM Fc1cc(F)cc(CCNc2cc(-c3nn[n-]n3)c3ccccc3n2)c1 ZINC000737648759 599423121 /nfs/dbraw/zinc/42/31/21/599423121.db2.gz BSJHSVGQTNYLBU-UHFFFAOYSA-N -1 3 352.348 3.348 20 0 FGADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)NCC1CCCCCCC1 ZINC000823237808 599424165 /nfs/dbraw/zinc/42/41/65/599424165.db2.gz CEEGZFYXAHDMHK-UHFFFAOYSA-N -1 3 360.437 3.166 20 0 FGADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)NCC1CCCCCCC1 ZINC000823237808 599424168 /nfs/dbraw/zinc/42/41/68/599424168.db2.gz CEEGZFYXAHDMHK-UHFFFAOYSA-N -1 3 360.437 3.166 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1CSc1ccc2c(c1)OCCCO2 ZINC000821752653 607376511 /nfs/dbraw/zinc/37/65/11/607376511.db2.gz PHDRBVHLXMVUOG-UHFFFAOYSA-N -1 3 370.434 3.329 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1CSc1ccc2c(c1)OCCCO2 ZINC000821752653 607376513 /nfs/dbraw/zinc/37/65/13/607376513.db2.gz PHDRBVHLXMVUOG-UHFFFAOYSA-N -1 3 370.434 3.329 20 0 FGADHM CCOc1ccccc1CCNc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000736652838 599427501 /nfs/dbraw/zinc/42/75/01/599427501.db2.gz CKOKZJBLBCUTAX-UHFFFAOYSA-N -1 3 360.421 3.468 20 0 FGADHM CCOc1ccccc1CCNc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000736652838 599427506 /nfs/dbraw/zinc/42/75/06/599427506.db2.gz CKOKZJBLBCUTAX-UHFFFAOYSA-N -1 3 360.421 3.468 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1CSc1nccn1-c1ccccc1 ZINC000821751917 607377435 /nfs/dbraw/zinc/37/74/35/607377435.db2.gz DXGZPQHAGQPZSW-UHFFFAOYSA-N -1 3 364.434 3.353 20 0 FGADHM Cc1nn(C)c(C)c1[C@@H]1CCCN1c1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000737508903 599432396 /nfs/dbraw/zinc/43/23/96/599432396.db2.gz DVWLHFNXYXLDOE-KRWDZBQOSA-N -1 3 374.452 3.107 20 0 FGADHM Cc1nn(C)c(C)c1[C@@H]1CCCN1c1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000737508903 599432398 /nfs/dbraw/zinc/43/23/98/599432398.db2.gz DVWLHFNXYXLDOE-KRWDZBQOSA-N -1 3 374.452 3.107 20 0 FGADHM CCC1CCC(Nc2ccc(N3CCC(O)CC3)c(-c3nnn[n-]3)c2)CC1 ZINC000820971333 599460328 /nfs/dbraw/zinc/46/03/28/599460328.db2.gz CEBLVWZRPWKXHP-UHFFFAOYSA-N -1 3 370.501 3.209 20 0 FGADHM CCC1CCC(Nc2ccc(N3CCC(O)CC3)c(-c3nn[n-]n3)c2)CC1 ZINC000820971333 599460330 /nfs/dbraw/zinc/46/03/30/599460330.db2.gz CEBLVWZRPWKXHP-UHFFFAOYSA-N -1 3 370.501 3.209 20 0 FGADHM C[C@H](c1ccccc1F)N(C)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000820569917 599460583 /nfs/dbraw/zinc/46/05/83/599460583.db2.gz AUCJRQPMVQISPC-LLVKDONJSA-N -1 3 372.379 3.048 20 0 FGADHM C[C@H](c1ccccc1F)N(C)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000820569917 599460584 /nfs/dbraw/zinc/46/05/84/599460584.db2.gz AUCJRQPMVQISPC-LLVKDONJSA-N -1 3 372.379 3.048 20 0 FGADHM C[C@@H]1C[C@H](c2ccc(F)cc2)CN1c1nc2c(cc1-c1nnn[n-]1)CCC2 ZINC000736233655 599472097 /nfs/dbraw/zinc/47/20/97/599472097.db2.gz GCUZPLOCULUVOV-DOMZBBRYSA-N -1 3 364.428 3.272 20 0 FGADHM C[C@@H]1C[C@H](c2ccc(F)cc2)CN1c1nc2c(cc1-c1nn[n-]n1)CCC2 ZINC000736233655 599472099 /nfs/dbraw/zinc/47/20/99/599472099.db2.gz GCUZPLOCULUVOV-DOMZBBRYSA-N -1 3 364.428 3.272 20 0 FGADHM C[C@@H](NC(=O)N1CCC2(C1)CCCCC2)c1cccc(-c2nnn[n-]2)c1 ZINC000820339419 599473448 /nfs/dbraw/zinc/47/34/48/599473448.db2.gz BRYYBGUXCGDWNO-CQSZACIVSA-N -1 3 354.458 3.294 20 0 FGADHM C[C@@H](NC(=O)N1CCC2(C1)CCCCC2)c1cccc(-c2nn[n-]n2)c1 ZINC000820339419 599473451 /nfs/dbraw/zinc/47/34/51/599473451.db2.gz BRYYBGUXCGDWNO-CQSZACIVSA-N -1 3 354.458 3.294 20 0 FGADHM C[C@@H](NC(=O)N(C)[C@H](C)c1ccccc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000820342581 599473475 /nfs/dbraw/zinc/47/34/75/599473475.db2.gz VXISNMOUJGRKDV-CHWSQXEVSA-N -1 3 368.416 3.469 20 0 FGADHM C[C@@H](NC(=O)N(C)[C@H](C)c1ccccc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000820342581 599473476 /nfs/dbraw/zinc/47/34/76/599473476.db2.gz VXISNMOUJGRKDV-CHWSQXEVSA-N -1 3 368.416 3.469 20 0 FGADHM CCc1ccc(CNc2c(-c3nnn[n-]3)cnc3c(F)ccc(F)c32)s1 ZINC000821487477 599478100 /nfs/dbraw/zinc/47/81/00/599478100.db2.gz UQPKDFDASFOROI-UHFFFAOYSA-N -1 3 372.404 3.351 20 0 FGADHM CCc1ccc(CNc2c(-c3nn[n-]n3)cnc3c(F)ccc(F)c32)s1 ZINC000821487477 599478103 /nfs/dbraw/zinc/47/81/03/599478103.db2.gz UQPKDFDASFOROI-UHFFFAOYSA-N -1 3 372.404 3.351 20 0 FGADHM CCN(Cc1ccccc1C)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821230733 599484037 /nfs/dbraw/zinc/48/40/37/599484037.db2.gz OZXFNXDJADYKPW-OAHLLOKOSA-N -1 3 364.453 3.468 20 0 FGADHM CCN(Cc1ccccc1C)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821230733 599484038 /nfs/dbraw/zinc/48/40/38/599484038.db2.gz OZXFNXDJADYKPW-OAHLLOKOSA-N -1 3 364.453 3.468 20 0 FGADHM COc1ccc(OC)c(CCNc2c(Cl)cccc2-c2nnn[n-]2)c1 ZINC000821841671 599490761 /nfs/dbraw/zinc/49/07/61/599490761.db2.gz LGFSVQLNWUUEFS-UHFFFAOYSA-N -1 3 359.817 3.192 20 0 FGADHM COc1ccc(OC)c(CCNc2c(Cl)cccc2-c2nn[n-]n2)c1 ZINC000821841671 599490763 /nfs/dbraw/zinc/49/07/63/599490763.db2.gz LGFSVQLNWUUEFS-UHFFFAOYSA-N -1 3 359.817 3.192 20 0 FGADHM C[C@H](NC(=O)c1ccccc1OCC1CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820397813 599502883 /nfs/dbraw/zinc/50/28/83/599502883.db2.gz USSCPCGJSAWZCF-ZDUSSCGKSA-N -1 3 363.421 3.147 20 0 FGADHM C[C@H](NC(=O)c1ccccc1OCC1CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820397813 599502886 /nfs/dbraw/zinc/50/28/86/599502886.db2.gz USSCPCGJSAWZCF-ZDUSSCGKSA-N -1 3 363.421 3.147 20 0 FGADHM Cc1ccc(C(=O)CCC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)s1 ZINC000822224850 599503127 /nfs/dbraw/zinc/50/31/27/599503127.db2.gz CMDIWPLWZZPVMZ-LBPRGKRZSA-N -1 3 369.450 3.077 20 0 FGADHM Cc1ccc(C(=O)CCC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)s1 ZINC000822224850 599503128 /nfs/dbraw/zinc/50/31/28/599503128.db2.gz CMDIWPLWZZPVMZ-LBPRGKRZSA-N -1 3 369.450 3.077 20 0 FGADHM COc1cc(CN(C)c2ccc(F)cc2-c2nnn[n-]2)ccc1SC ZINC000821716605 599506322 /nfs/dbraw/zinc/50/63/22/599506322.db2.gz BNBJDPYBMSGYAF-UHFFFAOYSA-N -1 3 359.430 3.373 20 0 FGADHM COc1cc(CN(C)c2ccc(F)cc2-c2nn[n-]n2)ccc1SC ZINC000821716605 599506325 /nfs/dbraw/zinc/50/63/25/599506325.db2.gz BNBJDPYBMSGYAF-UHFFFAOYSA-N -1 3 359.430 3.373 20 0 FGADHM CC(C)(C)c1cn2c(n1)CC[C@@H](Nc1cc(Cl)ccc1-c1nnn[n-]1)C2 ZINC000819959117 599510363 /nfs/dbraw/zinc/51/03/63/599510363.db2.gz YWSMFQRFIQHOLY-GFCCVEGCSA-N -1 3 371.876 3.441 20 0 FGADHM CC(C)(C)c1cn2c(n1)CC[C@@H](Nc1cc(Cl)ccc1-c1nn[n-]n1)C2 ZINC000819959117 599510365 /nfs/dbraw/zinc/51/03/65/599510365.db2.gz YWSMFQRFIQHOLY-GFCCVEGCSA-N -1 3 371.876 3.441 20 0 FGADHM Cc1cc(C)cc(OCCC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000822197923 599513519 /nfs/dbraw/zinc/51/35/19/599513519.db2.gz VESUZFAEQFMVFC-OAHLLOKOSA-N -1 3 365.437 3.130 20 0 FGADHM Cc1cc(C)cc(OCCC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000822197923 599513520 /nfs/dbraw/zinc/51/35/20/599513520.db2.gz VESUZFAEQFMVFC-OAHLLOKOSA-N -1 3 365.437 3.130 20 0 FGADHM CN(C[C@H]1OCCc2ccccc21)c1c(-c2nnn[n-]2)cnc2ccccc21 ZINC000821597608 599514297 /nfs/dbraw/zinc/51/42/97/599514297.db2.gz BAPSTMHDHONBAB-LJQANCHMSA-N -1 3 372.432 3.165 20 0 FGADHM CN(C[C@H]1OCCc2ccccc21)c1c(-c2nn[n-]n2)cnc2ccccc21 ZINC000821597608 599514300 /nfs/dbraw/zinc/51/43/00/599514300.db2.gz BAPSTMHDHONBAB-LJQANCHMSA-N -1 3 372.432 3.165 20 0 FGADHM C[C@H](NC(=O)[C@@]1(C)CCc2ccccc2C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820321224 599515831 /nfs/dbraw/zinc/51/58/31/599515831.db2.gz DAUMRVCKOVRHKN-QKKBWIMNSA-N -1 3 361.449 3.239 20 0 FGADHM C[C@H](NC(=O)[C@@]1(C)CCc2ccccc2C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820321224 599515833 /nfs/dbraw/zinc/51/58/33/599515833.db2.gz DAUMRVCKOVRHKN-QKKBWIMNSA-N -1 3 361.449 3.239 20 0 FGADHM Cc1cc(C)n(CCCNc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)n1 ZINC000737257352 599518710 /nfs/dbraw/zinc/51/87/10/599518710.db2.gz WCUXQGIJJWNXNO-UHFFFAOYSA-N -1 3 365.363 3.201 20 0 FGADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1CCN(C)c2ccccc2C1 ZINC000822335812 599521671 /nfs/dbraw/zinc/52/16/71/599521671.db2.gz MAJDROCBYIKSSJ-UHFFFAOYSA-N -1 3 371.448 3.180 20 0 FGADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N1CCN(C)c2ccccc2C1 ZINC000822335812 599521673 /nfs/dbraw/zinc/52/16/73/599521673.db2.gz MAJDROCBYIKSSJ-UHFFFAOYSA-N -1 3 371.448 3.180 20 0 FGADHM Fc1ccc(N2CCC[C@H]2c2ccc3c(c2)OCO3)c(-c2nnn[n-]2)c1 ZINC000822778687 599524432 /nfs/dbraw/zinc/52/44/32/599524432.db2.gz MUBCNZLOWRSNLQ-AWEZNQCLSA-N -1 3 353.357 3.076 20 0 FGADHM Fc1ccc(N2CCC[C@H]2c2ccc3c(c2)OCO3)c(-c2nn[n-]n2)c1 ZINC000822778687 599524435 /nfs/dbraw/zinc/52/44/35/599524435.db2.gz MUBCNZLOWRSNLQ-AWEZNQCLSA-N -1 3 353.357 3.076 20 0 FGADHM C[C@H](CCc1ccccc1F)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820254200 599525335 /nfs/dbraw/zinc/52/53/35/599525335.db2.gz NPYPBZWBLUEMHT-ZIAGYGMSSA-N -1 3 367.428 3.452 20 0 FGADHM C[C@H](CCc1ccccc1F)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820254200 599525338 /nfs/dbraw/zinc/52/53/38/599525338.db2.gz NPYPBZWBLUEMHT-ZIAGYGMSSA-N -1 3 367.428 3.452 20 0 FGADHM CSc1ccc(C)c(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000821979310 599526673 /nfs/dbraw/zinc/52/66/73/599526673.db2.gz QRWFQBVFVHZTEK-LBPRGKRZSA-N -1 3 353.451 3.388 20 0 FGADHM CSc1ccc(C)c(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000821979310 599526675 /nfs/dbraw/zinc/52/66/75/599526675.db2.gz QRWFQBVFVHZTEK-LBPRGKRZSA-N -1 3 353.451 3.388 20 0 FGADHM COc1ccc(Cl)cc1C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821824867 599529941 /nfs/dbraw/zinc/52/99/41/599529941.db2.gz PFINCACUCYTRGU-JTQLQIEISA-N -1 3 357.801 3.020 20 0 FGADHM COc1ccc(Cl)cc1C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821824867 599529944 /nfs/dbraw/zinc/52/99/44/599529944.db2.gz PFINCACUCYTRGU-JTQLQIEISA-N -1 3 357.801 3.020 20 0 FGADHM C[C@H](NC(=O)c1[nH]c2ccccc2c1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000820384898 599538761 /nfs/dbraw/zinc/53/87/61/599538761.db2.gz MRPZDZNZEYFNGS-JTQLQIEISA-N -1 3 366.812 3.492 20 0 FGADHM C[C@H](NC(=O)c1[nH]c2ccccc2c1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000820384898 599538764 /nfs/dbraw/zinc/53/87/64/599538764.db2.gz MRPZDZNZEYFNGS-JTQLQIEISA-N -1 3 366.812 3.492 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCc1ncc(-c2ccccc2)o1 ZINC000826252674 607383534 /nfs/dbraw/zinc/38/35/34/607383534.db2.gz NRVCQEBVWVJPAI-UHFFFAOYSA-N -1 3 361.361 3.187 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCc1ncc(-c2ccccc2)o1 ZINC000826252674 607383536 /nfs/dbraw/zinc/38/35/36/607383536.db2.gz NRVCQEBVWVJPAI-UHFFFAOYSA-N -1 3 361.361 3.187 20 0 FGADHM Fc1cccc(N2CCC[C@@H](Nc3ccc(F)cc3-c3nnn[n-]3)C2)c1 ZINC000822791282 599563160 /nfs/dbraw/zinc/56/31/60/599563160.db2.gz GPDIKQGEDKCLIT-CQSZACIVSA-N -1 3 356.380 3.226 20 0 FGADHM Fc1cccc(N2CCC[C@@H](Nc3ccc(F)cc3-c3nn[n-]n3)C2)c1 ZINC000822791282 599563162 /nfs/dbraw/zinc/56/31/62/599563162.db2.gz GPDIKQGEDKCLIT-CQSZACIVSA-N -1 3 356.380 3.226 20 0 FGADHM Fc1cccc(N2CCCC2)c1NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000737661152 599582163 /nfs/dbraw/zinc/58/21/63/599582163.db2.gz NGCFODSFDWIJFW-UHFFFAOYSA-N -1 3 368.416 3.097 20 0 FGADHM CCCn1c(CNCc2ccc(-c3nnn[n-]3)cc2F)nc2ccccc21 ZINC000736505273 599599025 /nfs/dbraw/zinc/59/90/25/599599025.db2.gz ZGQPOGBYQWJSNE-UHFFFAOYSA-N -1 3 365.416 3.055 20 0 FGADHM CCCn1c(CNCc2ccc(-c3nn[n-]n3)cc2F)nc2ccccc21 ZINC000736505273 599599027 /nfs/dbraw/zinc/59/90/27/599599027.db2.gz ZGQPOGBYQWJSNE-UHFFFAOYSA-N -1 3 365.416 3.055 20 0 FGADHM C[C@H](C(=O)OCCCOc1ccc(-c2nn[n-]n2)cc1)c1ccsc1 ZINC000735571825 599606835 /nfs/dbraw/zinc/60/68/35/599606835.db2.gz KPKFYNBVZJYIQC-LBPRGKRZSA-N -1 3 358.423 3.044 20 0 FGADHM CC(C)CO[C@@H]1C[C@H](OC(=O)CCc2ccc(-c3nnn[n-]3)cc2)C1(C)C ZINC000735839580 599618907 /nfs/dbraw/zinc/61/89/07/599618907.db2.gz YZJVGGBCZKLHSW-SJORKVTESA-N -1 3 372.469 3.182 20 0 FGADHM CC(C)CO[C@@H]1C[C@H](OC(=O)CCc2ccc(-c3nn[n-]n3)cc2)C1(C)C ZINC000735839580 599618909 /nfs/dbraw/zinc/61/89/09/599618909.db2.gz YZJVGGBCZKLHSW-SJORKVTESA-N -1 3 372.469 3.182 20 0 FGADHM C[C@H](OC(=O)CCC(=O)c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820487283 599621364 /nfs/dbraw/zinc/62/13/64/599621364.db2.gz GCYDMGSOOCWOQD-ZDUSSCGKSA-N -1 3 350.378 3.134 20 0 FGADHM C[C@H](OC(=O)CCC(=O)c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820487283 599621365 /nfs/dbraw/zinc/62/13/65/599621365.db2.gz GCYDMGSOOCWOQD-ZDUSSCGKSA-N -1 3 350.378 3.134 20 0 FGADHM C[C@H]1C[C@H](OC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)C[C@@H](C)C1 ZINC000820650153 599625337 /nfs/dbraw/zinc/62/53/37/599625337.db2.gz QYJCLJUSRBZTOH-VIKVFOODSA-N -1 3 360.483 3.468 20 0 FGADHM C[C@H]1C[C@H](OC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)C[C@@H](C)C1 ZINC000820650153 599625338 /nfs/dbraw/zinc/62/53/38/599625338.db2.gz QYJCLJUSRBZTOH-VIKVFOODSA-N -1 3 360.483 3.468 20 0 FGADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCC2)c1cccc(F)c1Cl ZINC000823387701 599629047 /nfs/dbraw/zinc/62/90/47/599629047.db2.gz VCHMVOMTJAKZNW-UHFFFAOYSA-N -1 3 363.805 3.462 20 0 FGADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCC2)c1cccc(F)c1Cl ZINC000823387701 599629048 /nfs/dbraw/zinc/62/90/48/599629048.db2.gz VCHMVOMTJAKZNW-UHFFFAOYSA-N -1 3 363.805 3.462 20 0 FGADHM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)Oc1ccc(-c2nnn[n-]2)cc1OC ZINC000820939453 599629222 /nfs/dbraw/zinc/62/92/22/599629222.db2.gz URZOOGAXBRTBJA-YUELXQCFSA-N -1 3 374.441 3.155 20 0 FGADHM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)Oc1ccc(-c2nn[n-]n2)cc1OC ZINC000820939453 599629223 /nfs/dbraw/zinc/62/92/23/599629223.db2.gz URZOOGAXBRTBJA-YUELXQCFSA-N -1 3 374.441 3.155 20 0 FGADHM CC(C)(C)c1ncc(C=CC(=O)Nc2sccc2-c2nnn[n-]2)s1 ZINC000819965285 599629377 /nfs/dbraw/zinc/62/93/77/599629377.db2.gz AAPDNZVCYMAUQN-SNAWJCMRSA-N -1 3 360.468 3.334 20 0 FGADHM CC(C)(C)c1ncc(C=CC(=O)Nc2sccc2-c2nn[n-]n2)s1 ZINC000819965285 599629378 /nfs/dbraw/zinc/62/93/78/599629378.db2.gz AAPDNZVCYMAUQN-SNAWJCMRSA-N -1 3 360.468 3.334 20 0 FGADHM C[C@H]1CCc2ccccc2N1Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000820733708 599635613 /nfs/dbraw/zinc/63/56/13/599635613.db2.gz IQXUHTCEIUZPBN-ZDUSSCGKSA-N -1 3 373.420 3.258 20 0 FGADHM C[C@H]1CCc2ccccc2N1Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000820733708 599635614 /nfs/dbraw/zinc/63/56/14/599635614.db2.gz IQXUHTCEIUZPBN-ZDUSSCGKSA-N -1 3 373.420 3.258 20 0 FGADHM CC(C)c1ccc(C(=O)[C@H](C)OC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000820508106 599648714 /nfs/dbraw/zinc/64/87/14/599648714.db2.gz MMIPLDFGULFACD-ZDUSSCGKSA-N -1 3 364.405 3.418 20 0 FGADHM CC(C)c1ccc(C(=O)[C@H](C)OC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000820508106 599648715 /nfs/dbraw/zinc/64/87/15/599648715.db2.gz MMIPLDFGULFACD-ZDUSSCGKSA-N -1 3 364.405 3.418 20 0 FGADHM CC[C@@H](CC(=O)OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)C(C)C ZINC000820882301 599660663 /nfs/dbraw/zinc/66/06/63/599660663.db2.gz ORTIXOAZKVJFPC-LBPRGKRZSA-N -1 3 370.413 3.032 20 0 FGADHM CC[C@@H](CC(=O)OCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)C(C)C ZINC000820882301 599660664 /nfs/dbraw/zinc/66/06/64/599660664.db2.gz ORTIXOAZKVJFPC-LBPRGKRZSA-N -1 3 370.413 3.032 20 0 FGADHM CCCCCC[C@H](C)C(=O)O[C@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000821051201 599665010 /nfs/dbraw/zinc/66/50/10/599665010.db2.gz ZJWHFPDHQNHANL-UONOGXRCSA-N -1 3 373.457 3.343 20 0 FGADHM CCCCCC[C@H](C)C(=O)O[C@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000821051201 599665011 /nfs/dbraw/zinc/66/50/11/599665011.db2.gz ZJWHFPDHQNHANL-UONOGXRCSA-N -1 3 373.457 3.343 20 0 FGADHM CC(C)[C@@H](C(=O)OCc1cc(-c2nnn[n-]2)ccc1F)c1ccccc1 ZINC000820016152 599669629 /nfs/dbraw/zinc/66/96/29/599669629.db2.gz KALNWNPQJGEHJQ-QGZVFWFLSA-N -1 3 354.385 3.489 20 0 FGADHM CC(C)[C@@H](C(=O)OCc1cc(-c2nn[n-]n2)ccc1F)c1ccccc1 ZINC000820016152 599669630 /nfs/dbraw/zinc/66/96/30/599669630.db2.gz KALNWNPQJGEHJQ-QGZVFWFLSA-N -1 3 354.385 3.489 20 0 FGADHM C[C@@H](CCOc1ccccc1)C(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000820249603 599672591 /nfs/dbraw/zinc/67/25/91/599672591.db2.gz XJBWGFVJYYJPPO-ZDUSSCGKSA-N -1 3 370.384 3.154 20 0 FGADHM C[C@@H](CCOc1ccccc1)C(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000820249603 599672592 /nfs/dbraw/zinc/67/25/92/599672592.db2.gz XJBWGFVJYYJPPO-ZDUSSCGKSA-N -1 3 370.384 3.154 20 0 FGADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCCC2)c1ccncc1Cl ZINC000823387000 599690433 /nfs/dbraw/zinc/69/04/33/599690433.db2.gz AXKDPOPLWJDWSG-UHFFFAOYSA-N -1 3 374.857 3.498 20 0 FGADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCCC2)c1ccncc1Cl ZINC000823387000 599690434 /nfs/dbraw/zinc/69/04/34/599690434.db2.gz AXKDPOPLWJDWSG-UHFFFAOYSA-N -1 3 374.857 3.498 20 0 FGADHM CC[C@@H]1C[C@H](C)CN1C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC000820967419 599692430 /nfs/dbraw/zinc/69/24/30/599692430.db2.gz ONKYDVDODVBLAX-GXTWGEPZSA-N -1 3 358.446 3.306 20 0 FGADHM CC[C@@H]1C[C@H](C)CN1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC000820967419 599692431 /nfs/dbraw/zinc/69/24/31/599692431.db2.gz ONKYDVDODVBLAX-GXTWGEPZSA-N -1 3 358.446 3.306 20 0 FGADHM O=C([O-])Nc1ccccc1C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000740048009 599706913 /nfs/dbraw/zinc/70/69/13/599706913.db2.gz XDAVBNDSYZYNBI-SFHVURJKSA-N -1 3 353.422 3.343 20 0 FGADHM O=C([O-])[C@@H](c1ccc(F)cc1)N1CCC(NC(=O)C2CCCCC2)CC1 ZINC000739380662 599713459 /nfs/dbraw/zinc/71/34/59/599713459.db2.gz CKYBZWJPNMXTAN-GOSISDBHSA-N -1 3 362.445 3.112 20 0 FGADHM COc1ccc(COC(=O)[C@H]2C[C@@H]2c2sccc2C)cc1-c1nnn[n-]1 ZINC000826205395 607390557 /nfs/dbraw/zinc/39/05/57/607390557.db2.gz UYYGTMZPHQAXNV-STQMWFEESA-N -1 3 370.434 3.092 20 0 FGADHM COc1ccc(COC(=O)[C@H]2C[C@@H]2c2sccc2C)cc1-c1nn[n-]n1 ZINC000826205395 607390558 /nfs/dbraw/zinc/39/05/58/607390558.db2.gz UYYGTMZPHQAXNV-STQMWFEESA-N -1 3 370.434 3.092 20 0 FGADHM Cc1ccsc1[C@@H]1C[C@H]1C(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000826316709 607391762 /nfs/dbraw/zinc/39/17/62/607391762.db2.gz WIXONKBHEAMWMB-ZIAGYGMSSA-N -1 3 358.398 3.223 20 0 FGADHM Cc1ccsc1[C@@H]1C[C@H]1C(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000826316709 607391763 /nfs/dbraw/zinc/39/17/63/607391763.db2.gz WIXONKBHEAMWMB-ZIAGYGMSSA-N -1 3 358.398 3.223 20 0 FGADHM O=C([O-])[C@H](NCc1ccnc(Cl)c1)c1ccc(Br)cc1 ZINC000739506143 599791138 /nfs/dbraw/zinc/79/11/38/599791138.db2.gz URSKNOLUIDJELL-CYBMUJFWSA-N -1 3 355.619 3.413 20 0 FGADHM C[C@H](c1ccc(C(=O)[O-])o1)N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000736715697 599791725 /nfs/dbraw/zinc/79/17/25/599791725.db2.gz VZNCRZVYSDDYTQ-CHWSQXEVSA-N -1 3 352.431 3.228 20 0 FGADHM CCCN(Cc1ccc(C(=O)[O-])o1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000737020075 599794570 /nfs/dbraw/zinc/79/45/70/599794570.db2.gz PIQGTKIHVPTUKF-ZDUSSCGKSA-N -1 3 352.431 3.199 20 0 FGADHM Cc1ccc([C@@H](CNC(=O)Nc2ccc(C(=O)[O-])cc2F)N(C)C)cc1 ZINC000738560230 599837090 /nfs/dbraw/zinc/83/70/90/599837090.db2.gz KRFRBZATOPKIEH-QGZVFWFLSA-N -1 3 359.401 3.257 20 0 FGADHM CC(C)Oc1ccc(NC(=O)C[C@@H](C)n2cccc2)cc1-c1nnn[n-]1 ZINC000820160425 607399490 /nfs/dbraw/zinc/39/94/90/607399490.db2.gz JURDRNCLDHLNOD-CYBMUJFWSA-N -1 3 354.414 3.045 20 0 FGADHM CC(C)Oc1ccc(NC(=O)C[C@@H](C)n2cccc2)cc1-c1nn[n-]n1 ZINC000820160425 607399492 /nfs/dbraw/zinc/39/94/92/607399492.db2.gz JURDRNCLDHLNOD-CYBMUJFWSA-N -1 3 354.414 3.045 20 0 FGADHM Cc1cc(C(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)ccc1F ZINC000822176338 607399712 /nfs/dbraw/zinc/39/97/12/607399712.db2.gz JVCQEDXRUKTBMO-UHFFFAOYSA-N -1 3 355.373 3.354 20 0 FGADHM Cc1cc(C(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)ccc1F ZINC000822176338 607399713 /nfs/dbraw/zinc/39/97/13/607399713.db2.gz JVCQEDXRUKTBMO-UHFFFAOYSA-N -1 3 355.373 3.354 20 0 FGADHM CC(C)Oc1ccc(NC(=O)Cc2ccc(F)c(F)c2)cc1-c1nnn[n-]1 ZINC000820164319 607400255 /nfs/dbraw/zinc/40/02/55/607400255.db2.gz HLIFWALQAQGXNN-UHFFFAOYSA-N -1 3 373.363 3.113 20 0 FGADHM CC(C)Oc1ccc(NC(=O)Cc2ccc(F)c(F)c2)cc1-c1nn[n-]n1 ZINC000820164319 607400256 /nfs/dbraw/zinc/40/02/56/607400256.db2.gz HLIFWALQAQGXNN-UHFFFAOYSA-N -1 3 373.363 3.113 20 0 FGADHM CCO[C@@H]1C[C@@H](OC(=O)c2ccc(-c3nnn[n-]3)cc2C)C12CCCC2 ZINC000825583722 607400450 /nfs/dbraw/zinc/40/04/50/607400450.db2.gz WLENUZREZBNYBG-HZPDHXFCSA-N -1 3 356.426 3.070 20 0 FGADHM CCO[C@@H]1C[C@@H](OC(=O)c2ccc(-c3nn[n-]n3)cc2C)C12CCCC2 ZINC000825583722 607400451 /nfs/dbraw/zinc/40/04/51/607400451.db2.gz WLENUZREZBNYBG-HZPDHXFCSA-N -1 3 356.426 3.070 20 0 FGADHM COCc1cccc(C(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)c1 ZINC000821695866 607400701 /nfs/dbraw/zinc/40/07/01/607400701.db2.gz LCDLQYPXITZPCH-UHFFFAOYSA-N -1 3 367.409 3.053 20 0 FGADHM COCc1cccc(C(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)c1 ZINC000821695866 607400703 /nfs/dbraw/zinc/40/07/03/607400703.db2.gz LCDLQYPXITZPCH-UHFFFAOYSA-N -1 3 367.409 3.053 20 0 FGADHM Cc1nc2c(s1)[C@H](OC(=O)c1ccc(-c3nnn[n-]3)cc1C)CCC2 ZINC000826328048 607402205 /nfs/dbraw/zinc/40/22/05/607402205.db2.gz DSHBTXVFLQLKLL-CQSZACIVSA-N -1 3 355.423 3.174 20 0 FGADHM Cc1nc2c(s1)[C@H](OC(=O)c1ccc(-c3nn[n-]n3)cc1C)CCC2 ZINC000826328048 607402206 /nfs/dbraw/zinc/40/22/06/607402206.db2.gz DSHBTXVFLQLKLL-CQSZACIVSA-N -1 3 355.423 3.174 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000826253625 607403438 /nfs/dbraw/zinc/40/34/38/607403438.db2.gz XMGSTTSONWNVFT-CABCVRRESA-N -1 3 370.359 3.300 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000826253625 607403440 /nfs/dbraw/zinc/40/34/40/607403440.db2.gz XMGSTTSONWNVFT-CABCVRRESA-N -1 3 370.359 3.300 20 0 FGADHM Cc1cc2ccccc2n1CC(=O)OCc1ccc(-c2nnn[n-]2)cc1C ZINC000826254009 607405354 /nfs/dbraw/zinc/40/53/54/607405354.db2.gz PFMYSGVDUPTUFC-UHFFFAOYSA-N -1 3 361.405 3.182 20 0 FGADHM Cc1cc2ccccc2n1CC(=O)OCc1ccc(-c2nn[n-]n2)cc1C ZINC000826254009 607405355 /nfs/dbraw/zinc/40/53/55/607405355.db2.gz PFMYSGVDUPTUFC-UHFFFAOYSA-N -1 3 361.405 3.182 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)NCC1(Cc2ccccc2)CC1 ZINC000822929518 607405536 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FGADHM C[C@H]1CCc2c(sc(NC(=O)c3ccnc(Cl)c3)c2-c2nn[n-]n2)C1 ZINC000820733755 607422399 /nfs/dbraw/zinc/42/23/99/607422399.db2.gz JDEKQECYYLCOOP-QMMMGPOBSA-N -1 3 374.857 3.354 20 0 FGADHM Cc1ccccc1[C@H](C)CC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826306292 607427534 /nfs/dbraw/zinc/42/75/34/607427534.db2.gz VLBWQRPMNIHEMS-OAHLLOKOSA-N -1 3 361.449 3.474 20 0 FGADHM Cc1ccccc1[C@H](C)CC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826306292 607427535 /nfs/dbraw/zinc/42/75/35/607427535.db2.gz VLBWQRPMNIHEMS-OAHLLOKOSA-N -1 3 361.449 3.474 20 0 FGADHM CC(C)(C)N(Cc1ccccc1)C(=O)CN1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000736262331 600292131 /nfs/dbraw/zinc/29/21/31/600292131.db2.gz YKNPEDXUBCPELA-KRWDZBQOSA-N -1 3 358.482 3.000 20 0 FGADHM CN(C(=O)CSc1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825820330 607438438 /nfs/dbraw/zinc/43/84/38/607438438.db2.gz ABFFSMRFAYGXEU-UHFFFAOYSA-N -1 3 359.842 3.275 20 0 FGADHM CN(C(=O)CSc1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825820330 607438439 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CC(C)=CCOc1cccc(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000824177260 607440852 /nfs/dbraw/zinc/44/08/52/607440852.db2.gz FWEQMZJVLHPJQJ-UHFFFAOYSA-N -1 3 363.421 3.488 20 0 FGADHM CC(C)=CCOc1cccc(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000824177260 607440855 /nfs/dbraw/zinc/44/08/55/607440855.db2.gz FWEQMZJVLHPJQJ-UHFFFAOYSA-N -1 3 363.421 3.488 20 0 FGADHM O=C([O-])CC1CCN(C(=O)N[C@H](CN2CCCCC2)c2ccccc2)CC1 ZINC000738563819 600566612 /nfs/dbraw/zinc/56/66/12/600566612.db2.gz RBQKGHLKCJTGHA-LJQANCHMSA-N -1 3 373.497 3.110 20 0 FGADHM CCC(CC)(CNC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)SC ZINC000825090323 607458733 /nfs/dbraw/zinc/45/87/33/607458733.db2.gz WVWHFBTZPXMLHI-UHFFFAOYSA-N -1 3 374.514 3.077 20 0 FGADHM CCC(CC)(CNC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1)SC ZINC000825090323 607458735 /nfs/dbraw/zinc/45/87/35/607458735.db2.gz WVWHFBTZPXMLHI-UHFFFAOYSA-N -1 3 374.514 3.077 20 0 FGADHM C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1CCc1ccc2c(c1)CCO2 ZINC000828493485 600822032 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FGADHM CCc1oc(C(=O)[O-])cc1CN1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000830368944 601412430 /nfs/dbraw/zinc/41/24/30/601412430.db2.gz GFGOTMSYDPPAQC-AWEZNQCLSA-N -1 3 372.469 3.238 20 0 FGADHM CC(C)CNC(=O)c1cccc(CN2CCc3ccccc3[C@H]2C(=O)[O-])c1 ZINC000662235020 601547829 /nfs/dbraw/zinc/54/78/29/601547829.db2.gz RHTXWBGLANENRR-FQEVSTJZSA-N -1 3 366.461 3.256 20 0 FGADHM CC(C)(NC(=O)[O-])C(=O)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC000826621376 601604437 /nfs/dbraw/zinc/60/44/37/601604437.db2.gz MZSNJTXGSGUVFT-UHFFFAOYSA-N -1 3 373.497 3.080 20 0 FGADHM Cc1sc(C(=O)[O-])cc1CN1CCC(CC(=O)NC2CCCC2)CC1 ZINC000833032947 601622556 /nfs/dbraw/zinc/62/25/56/601622556.db2.gz QLRZRLBJBBRSFM-UHFFFAOYSA-N -1 3 364.511 3.416 20 0 FGADHM Cc1cccc(CN(Cc2ccco2)Cc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000826298438 607517725 /nfs/dbraw/zinc/51/77/25/607517725.db2.gz RYZHJIVEJUBCSD-UHFFFAOYSA-N -1 3 360.421 3.366 20 0 FGADHM Cc1cccc(CN(Cc2ccco2)Cc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000826298438 607517726 /nfs/dbraw/zinc/51/77/26/607517726.db2.gz RYZHJIVEJUBCSD-UHFFFAOYSA-N -1 3 360.421 3.366 20 0 FGADHM CCc1ccc([C@H](C)NC(=O)CN[C@H](c2ccccc2)[C@H](C)C(=O)[O-])cc1 ZINC000830239052 601650531 /nfs/dbraw/zinc/65/05/31/601650531.db2.gz VNAWYTLXGQIVNM-QYWGDWMGSA-N -1 3 368.477 3.478 20 0 FGADHM C[C@H](C(=O)[O-])[C@H](NCC(=O)N(Cc1ccccc1)C1CC1)c1ccccc1 ZINC000826045697 601652841 /nfs/dbraw/zinc/65/28/41/601652841.db2.gz XHZNDLRCHZYVGZ-KKSFZXQISA-N -1 3 366.461 3.229 20 0 FGADHM C[C@@H]1CN(c2ccccc2NCc2ccc(-c3nnn[n-]3)s2)C[C@H](C)O1 ZINC000824998978 607522157 /nfs/dbraw/zinc/52/21/57/607522157.db2.gz BKHWMYCABXSGLE-BETUJISGSA-N -1 3 370.482 3.154 20 0 FGADHM CCc1ccc(C(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)cc1 ZINC000830232337 601734337 /nfs/dbraw/zinc/73/43/37/601734337.db2.gz PBGQIZUFQOLKNV-JOCHJYFZSA-N -1 3 366.461 3.098 20 0 FGADHM Cc1ccc2c(CN3CCC[C@H](CN(C)C(=O)[O-])C3)cc(=O)oc2c1C ZINC000740157229 601854914 /nfs/dbraw/zinc/85/49/14/601854914.db2.gz XTIUXQXLSRSADM-OAHLLOKOSA-N -1 3 358.438 3.232 20 0 FGADHM COc1ccc(CSCc2nc(CCC(C)C)no2)cc1-c1nnn[n-]1 ZINC000826207782 607534692 /nfs/dbraw/zinc/53/46/92/607534692.db2.gz CWYPDLFHNOEPLZ-UHFFFAOYSA-N -1 3 374.470 3.280 20 0 FGADHM COc1ccc(CSCc2nc(CCC(C)C)no2)cc1-c1nn[n-]n1 ZINC000826207782 607534694 /nfs/dbraw/zinc/53/46/94/607534694.db2.gz CWYPDLFHNOEPLZ-UHFFFAOYSA-N -1 3 374.470 3.280 20 0 FGADHM COc1ccc(COc2c(F)c(F)cc(F)c2F)cc1-c1nnn[n-]1 ZINC000826206771 607540714 /nfs/dbraw/zinc/54/07/14/607540714.db2.gz KNBHEYVAZQRYRQ-UHFFFAOYSA-N -1 3 354.263 3.011 20 0 FGADHM COc1ccc(COc2c(F)c(F)cc(F)c2F)cc1-c1nn[n-]n1 ZINC000826206771 607540715 /nfs/dbraw/zinc/54/07/15/607540715.db2.gz KNBHEYVAZQRYRQ-UHFFFAOYSA-N -1 3 354.263 3.011 20 0 FGADHM COc1cc(C(C)=O)ccc1Sc1ncc(-c2nnn[n-]2)cc1Cl ZINC000826177610 607543540 /nfs/dbraw/zinc/54/35/40/607543540.db2.gz OQODXHJHWWPIMN-UHFFFAOYSA-N -1 3 361.814 3.278 20 0 FGADHM COc1cc(C(C)=O)ccc1Sc1ncc(-c2nn[n-]n2)cc1Cl ZINC000826177610 607543541 /nfs/dbraw/zinc/54/35/41/607543541.db2.gz OQODXHJHWWPIMN-UHFFFAOYSA-N -1 3 361.814 3.278 20 0 FGADHM CC[C@H]1CN2CCCC[C@H]2CN1C(=O)NCCCCCCCC(=O)[O-] ZINC000829160691 602095090 /nfs/dbraw/zinc/09/50/90/602095090.db2.gz JBQUHZPFTIYLNA-IRXDYDNUSA-N -1 3 353.507 3.070 20 0 FGADHM CCC(C)(C)[C@H]1CCCN1C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000825039095 607548431 /nfs/dbraw/zinc/54/84/31/607548431.db2.gz MFZLWKDYFLDBOV-OAHLLOKOSA-N -1 3 359.499 3.386 20 0 FGADHM CCC(C)(C)[C@H]1CCCN1C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000825039095 607548433 /nfs/dbraw/zinc/54/84/33/607548433.db2.gz MFZLWKDYFLDBOV-OAHLLOKOSA-N -1 3 359.499 3.386 20 0 FGADHM CCC1(CC)[C@H](N[C@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2C)C[C@H]1OC ZINC000829055860 602177507 /nfs/dbraw/zinc/17/75/07/602177507.db2.gz PEZBBNQKWDCCCM-KBRIMQKVSA-N -1 3 362.470 3.204 20 0 FGADHM O=C([O-])N1CCC(CN2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)CC1 ZINC000740501411 602259141 /nfs/dbraw/zinc/25/91/41/602259141.db2.gz UOZRNMXOYREWGB-QWRGUYRKSA-N -1 3 362.314 3.439 20 0 FGADHM C[C@H](NC(=O)[O-])[C@H]1CCCCN1C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000738999559 602260881 /nfs/dbraw/zinc/26/08/81/602260881.db2.gz FLQWWALDPAVSRV-NILFDRSVSA-N -1 3 360.376 3.249 20 0 FGADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2ccc3c(n2)CCCC3)s1 ZINC000825693755 607565628 /nfs/dbraw/zinc/56/56/28/607565628.db2.gz DCWDZRFQVAAZKD-UHFFFAOYSA-N -1 3 354.439 3.017 20 0 FGADHM CCn1c(C)cc2c1CCC[C@@H]2NC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000825782730 607562690 /nfs/dbraw/zinc/56/26/90/607562690.db2.gz NGWQBTCDRKQJQP-KRWDZBQOSA-N -1 3 364.453 3.112 20 0 FGADHM CCn1c(C)cc2c1CCC[C@@H]2NC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000825782730 607562692 /nfs/dbraw/zinc/56/26/92/607562692.db2.gz NGWQBTCDRKQJQP-KRWDZBQOSA-N -1 3 364.453 3.112 20 0 FGADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2ccc3c(n2)CCCC3)s1 ZINC000825693755 607565626 /nfs/dbraw/zinc/56/56/26/607565626.db2.gz DCWDZRFQVAAZKD-UHFFFAOYSA-N -1 3 354.439 3.017 20 0 FGADHM CN(C)Cc1ccc(C(=O)Nc2ccc3c(c2)CN(C(=O)[O-])CC3)cc1 ZINC000739610739 602487884 /nfs/dbraw/zinc/48/78/84/602487884.db2.gz YHIKCZLWJGQQPN-UHFFFAOYSA-N -1 3 353.422 3.037 20 0 FGADHM O=C([O-])Nc1cc(C(=O)NC[C@H](c2ccccc2)N2CCCC2)ccc1F ZINC000740695624 602494041 /nfs/dbraw/zinc/49/40/41/602494041.db2.gz JPLAELFQEZCUIK-GOSISDBHSA-N -1 3 371.412 3.483 20 0 FGADHM O=C([O-])NC[C@@H]1CCCCN1Cc1ccc(OCc2cccnc2)cc1 ZINC000740625690 602551286 /nfs/dbraw/zinc/55/12/86/602551286.db2.gz WOYLCNNMHBNQPS-SFHVURJKSA-N -1 3 355.438 3.283 20 0 FGADHM CN1CCC[C@@H](NC(=O)Nc2ccc(NC(=O)[O-])cc2C(F)(F)F)C1 ZINC000739730964 602598522 /nfs/dbraw/zinc/59/85/22/602598522.db2.gz UGSHTDJBOHUOAN-SNVBAGLBSA-N -1 3 360.336 3.011 20 0 FGADHM CCC(=CC(=O)N(C)c1cccc(-c2nnn[n-]2)c1)c1ccc(OC)cc1 ZINC000825029252 607577274 /nfs/dbraw/zinc/57/72/74/607577274.db2.gz PRWXHIXNLSHPRS-BUHFOSPRSA-N -1 3 363.421 3.332 20 0 FGADHM CCC(=CC(=O)N(C)c1cccc(-c2nn[n-]n2)c1)c1ccc(OC)cc1 ZINC000825029252 607577276 /nfs/dbraw/zinc/57/72/76/607577276.db2.gz PRWXHIXNLSHPRS-BUHFOSPRSA-N -1 3 363.421 3.332 20 0 FGADHM Cc1nn(-c2ccc(F)cc2)c(Cl)c1CNC1CCN(C(=O)[O-])CC1 ZINC000740246862 602648780 /nfs/dbraw/zinc/64/87/80/602648780.db2.gz QWMUTWUPJWGFAK-UHFFFAOYSA-N -1 3 366.824 3.205 20 0 FGADHM Cc1ccc(C(=O)NC[C@H]2CCCN2Cc2ccccc2)cc1NC(=O)[O-] ZINC000830216866 602942040 /nfs/dbraw/zinc/94/20/40/602942040.db2.gz MSBUGJZSGQEWAP-GOSISDBHSA-N -1 3 367.449 3.479 20 0 FGADHM CC(C)[C@@](C)(CNC(=O)[O-])NCC(=O)Nc1c(Cl)cccc1Cl ZINC000738772424 603080470 /nfs/dbraw/zinc/08/04/70/603080470.db2.gz PMIZBOFUWOALHR-OAHLLOKOSA-N -1 3 362.257 3.204 20 0 FGADHM CN(C)[C@H](CNC(=O)c1ccc(NC(=O)[O-])cc1Cl)c1ccccc1 ZINC000739607740 603202992 /nfs/dbraw/zinc/20/29/92/603202992.db2.gz KRHHTGDUQMHHIU-MRXNPFEDSA-N -1 3 361.829 3.463 20 0 FGADHM CN(CCC1CC1)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000825918925 607619969 /nfs/dbraw/zinc/61/99/69/607619969.db2.gz PFQWDIAIULSDLR-UHFFFAOYSA-N -1 3 354.336 3.149 20 0 FGADHM CN(CCC1CC1)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000825918925 607619971 /nfs/dbraw/zinc/61/99/71/607619971.db2.gz PFQWDIAIULSDLR-UHFFFAOYSA-N -1 3 354.336 3.149 20 0 FGADHM CCOc1ccc([C@H](C)NC(=O)c2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000825632611 607652749 /nfs/dbraw/zinc/65/27/49/607652749.db2.gz XVMRMXJIUUTSOU-ZDUSSCGKSA-N -1 3 351.410 3.065 20 0 FGADHM CCOc1ccc([C@H](C)NC(=O)c2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000825632611 607652750 /nfs/dbraw/zinc/65/27/50/607652750.db2.gz XVMRMXJIUUTSOU-ZDUSSCGKSA-N -1 3 351.410 3.065 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccc(NC(=O)C(C)C)cc1 ZINC000826250353 607650036 /nfs/dbraw/zinc/65/00/36/607650036.db2.gz WYHNRYUIUMTBRP-UHFFFAOYSA-N -1 3 364.409 3.022 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccc(NC(=O)C(C)C)cc1 ZINC000826250353 607650038 /nfs/dbraw/zinc/65/00/38/607650038.db2.gz WYHNRYUIUMTBRP-UHFFFAOYSA-N -1 3 364.409 3.022 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCC[C@H]1c1ccc(F)cc1 ZINC000826245059 607654690 /nfs/dbraw/zinc/65/46/90/607654690.db2.gz MNRUKSMMIKXUBI-KRWDZBQOSA-N -1 3 351.385 3.292 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCC[C@H]1c1ccc(F)cc1 ZINC000826245059 607654691 /nfs/dbraw/zinc/65/46/91/607654691.db2.gz MNRUKSMMIKXUBI-KRWDZBQOSA-N -1 3 351.385 3.292 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000826246433 607655068 /nfs/dbraw/zinc/65/50/68/607655068.db2.gz CZVJBEHFHXKBBR-VXGBXAGGSA-N -1 3 353.348 3.026 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000826246433 607655070 /nfs/dbraw/zinc/65/50/70/607655070.db2.gz CZVJBEHFHXKBBR-VXGBXAGGSA-N -1 3 353.348 3.026 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(C)[C@H](C)c1cc(F)ccc1F ZINC000826243651 607660077 /nfs/dbraw/zinc/66/00/77/607660077.db2.gz POUHTKVCNAYRHD-LLVKDONJSA-N -1 3 357.364 3.287 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(C)[C@H](C)c1cc(F)ccc1F ZINC000826243651 607660079 /nfs/dbraw/zinc/66/00/79/607660079.db2.gz POUHTKVCNAYRHD-LLVKDONJSA-N -1 3 357.364 3.287 20 0 FGADHM C[C@@H](NC(=O)[O-])C1CCN(Cc2ccccc2OCC(F)(F)F)CC1 ZINC000825288106 604053148 /nfs/dbraw/zinc/05/31/48/604053148.db2.gz MDVPPAKNQRMFOK-GFCCVEGCSA-N -1 3 360.376 3.496 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H]1C[C@@H]1c1sccc1C ZINC000825620756 607670144 /nfs/dbraw/zinc/67/01/44/607670144.db2.gz HEEQIYCYJCJVDG-QWHCGFSZSA-N -1 3 369.450 3.378 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1C[C@@H]1c1sccc1C ZINC000825620756 607670145 /nfs/dbraw/zinc/67/01/45/607670145.db2.gz HEEQIYCYJCJVDG-QWHCGFSZSA-N -1 3 369.450 3.378 20 0 FGADHM CC(C)CN(CCN(C)C)C(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000824251175 604100293 /nfs/dbraw/zinc/10/02/93/604100293.db2.gz FXVUBKKSHUOTGQ-AWEZNQCLSA-N -1 3 350.463 3.067 20 0 FGADHM O=C(Nc1ccccc1Cl)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826457433 607674385 /nfs/dbraw/zinc/67/43/85/607674385.db2.gz AXZLRILQKSXHCD-UHFFFAOYSA-N -1 3 354.801 3.331 20 0 FGADHM O=C(Nc1ccccc1Cl)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826457433 607674387 /nfs/dbraw/zinc/67/43/87/607674387.db2.gz AXZLRILQKSXHCD-UHFFFAOYSA-N -1 3 354.801 3.331 20 0 FGADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CCC[C@H](CCCc2ccccc2)C1 ZINC000826470561 607675949 /nfs/dbraw/zinc/67/59/49/607675949.db2.gz UWKDHTVWVSLXBA-INIZCTEOSA-N -1 3 364.453 3.070 20 0 FGADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CCC[C@H](CCCc2ccccc2)C1 ZINC000826470561 607675950 /nfs/dbraw/zinc/67/59/50/607675950.db2.gz UWKDHTVWVSLXBA-INIZCTEOSA-N -1 3 364.453 3.070 20 0 FGADHM C[C@@H]1CCN(C(=O)c2ccc(C(=O)[O-])c(F)c2)CCN1Cc1ccccc1 ZINC000828284302 604296012 /nfs/dbraw/zinc/29/60/12/604296012.db2.gz CWDZXUSIZWHEBU-OAHLLOKOSA-N -1 3 370.424 3.261 20 0 FGADHM O=C([O-])Nc1cc(NC(=O)N2CCN(C3CCCCC3)CC2)ccc1F ZINC000833282865 604332773 /nfs/dbraw/zinc/33/27/73/604332773.db2.gz LPPCSYCLBOVENB-UHFFFAOYSA-N -1 3 364.421 3.398 20 0 FGADHM Cc1c([C@@H](C)NC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])nnn1-c1ccc(F)cc1 ZINC000829858659 604377274 /nfs/dbraw/zinc/37/72/74/604377274.db2.gz CJWUBWJDESOGLM-MPRMVAPJSA-N -1 3 373.432 3.039 20 0 FGADHM COc1ccc([C@H](C)NC[C@H](NC(=O)[O-])c2ccccc2)cc1NC(C)=O ZINC000829304196 604380088 /nfs/dbraw/zinc/38/00/88/604380088.db2.gz YDZFXNMNTWTYAZ-UGSOOPFHSA-N -1 3 371.437 3.313 20 0 FGADHM CCc1ccc([C@@H]2CCCN2C(=O)c2ccc(-c3nnn[n-]3)cc2C)o1 ZINC000825704896 607692060 /nfs/dbraw/zinc/69/20/60/607692060.db2.gz PIVCGHVKYLKPDE-INIZCTEOSA-N -1 3 351.410 3.308 20 0 FGADHM CCc1ccc([C@@H]2CCCN2C(=O)c2ccc(-c3nn[n-]n3)cc2C)o1 ZINC000825704896 607692062 /nfs/dbraw/zinc/69/20/62/607692062.db2.gz PIVCGHVKYLKPDE-INIZCTEOSA-N -1 3 351.410 3.308 20 0 FGADHM COc1cccc(-c2nc(CNC(C)(C)CC(=O)[O-])cs2)c1OC ZINC000832514273 604445173 /nfs/dbraw/zinc/44/51/73/604445173.db2.gz CZYWNLFKCQKMSW-UHFFFAOYSA-N -1 3 350.440 3.170 20 0 FGADHM CCCOc1ccc(CN2Cc3ccccc3C[C@@H]2C(=O)[O-])cc1OC ZINC000829532563 604466360 /nfs/dbraw/zinc/46/63/60/604466360.db2.gz SBTZBWCKFBPKIZ-GOSISDBHSA-N -1 3 355.434 3.496 20 0 FGADHM CCOCc1cc(CN2Cc3ccccc3C[C@H]2C(=O)[O-])ccc1OC ZINC000830021863 604466534 /nfs/dbraw/zinc/46/65/34/604466534.db2.gz MWPFYJZSTSLIPP-IBGZPJMESA-N -1 3 355.434 3.243 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000826246736 607694155 /nfs/dbraw/zinc/69/41/55/607694155.db2.gz KHEFRHDHWKIJNY-QFBILLFUSA-N -1 3 361.449 3.316 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000826246736 607694156 /nfs/dbraw/zinc/69/41/56/607694156.db2.gz KHEFRHDHWKIJNY-QFBILLFUSA-N -1 3 361.449 3.316 20 0 FGADHM CC(C)(CNC(=O)Nc1cc(C(=O)[O-])cs1)N1CCc2ccccc2C1 ZINC000826586018 604499470 /nfs/dbraw/zinc/49/94/70/604499470.db2.gz WFGRRQQOQHECJM-UHFFFAOYSA-N -1 3 373.478 3.405 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NC[C@@H](C)Oc1ccccc1Cl ZINC000826247677 607696491 /nfs/dbraw/zinc/69/64/91/607696491.db2.gz KXFWDPVQAMKYKU-GFCCVEGCSA-N -1 3 371.828 3.026 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NC[C@@H](C)Oc1ccccc1Cl ZINC000826247677 607696492 /nfs/dbraw/zinc/69/64/92/607696492.db2.gz KXFWDPVQAMKYKU-GFCCVEGCSA-N -1 3 371.828 3.026 20 0 FGADHM Cc1cc(Oc2ncccc2-c2nnn[n-]2)ccc1NC(=O)[C@@H]1CC1(C)C ZINC000826271986 607696789 /nfs/dbraw/zinc/69/67/89/607696789.db2.gz PZGVARIDURAYDE-AWEZNQCLSA-N -1 3 364.409 3.347 20 0 FGADHM O=C(Nc1ccccc1Oc1cccc(F)c1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826457618 607704614 /nfs/dbraw/zinc/70/46/14/607704614.db2.gz JLZDTEONWCMQJD-UHFFFAOYSA-N -1 3 364.340 3.379 20 0 FGADHM O=C(Nc1ccccc1Oc1cccc(F)c1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826457618 607704616 /nfs/dbraw/zinc/70/46/16/607704616.db2.gz JLZDTEONWCMQJD-UHFFFAOYSA-N -1 3 364.340 3.379 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1cc(F)ccc1OC(F)F ZINC000826249939 607706217 /nfs/dbraw/zinc/70/62/17/607706217.db2.gz CBWVTUCIPRHJQN-UHFFFAOYSA-N -1 3 363.299 3.168 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1cc(F)ccc1OC(F)F ZINC000826249939 607706218 /nfs/dbraw/zinc/70/62/18/607706218.db2.gz CBWVTUCIPRHJQN-UHFFFAOYSA-N -1 3 363.299 3.168 20 0 FGADHM CCO[C@H]1C[C@@H](N(C)Cc2c(C)nn(CCC(=O)[O-])c2C)C12CCCC2 ZINC000833660020 604661540 /nfs/dbraw/zinc/66/15/40/604661540.db2.gz LLNMXTJRPHTSBW-MSOLQXFVSA-N -1 3 363.502 3.144 20 0 FGADHM CCN(CC1CCN(Cc2c[nH]c(C(=O)[O-])c2)CC1)C(=O)OC(C)(C)C ZINC000833654440 604681363 /nfs/dbraw/zinc/68/13/63/604681363.db2.gz PXHGKJLQZIXMHX-UHFFFAOYSA-N -1 3 365.474 3.182 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)ccc1OCc1nc(C(F)(F)F)cs1 ZINC000825608992 607710797 /nfs/dbraw/zinc/71/07/97/607710797.db2.gz GVMWIDFSCSMACD-UHFFFAOYSA-N -1 3 371.344 3.320 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)ccc1OCc1nc(C(F)(F)F)cs1 ZINC000825608992 607710798 /nfs/dbraw/zinc/71/07/98/607710798.db2.gz GVMWIDFSCSMACD-UHFFFAOYSA-N -1 3 371.344 3.320 20 0 FGADHM Fc1cccc(F)c1-c1nc(CSc2ccc(-c3nnn[n-]3)cn2)co1 ZINC000826377545 607712116 /nfs/dbraw/zinc/71/21/16/607712116.db2.gz WNKWWLTXGFRCCQ-UHFFFAOYSA-N -1 3 372.360 3.487 20 0 FGADHM Fc1cccc(F)c1-c1nc(CSc2ccc(-c3nn[n-]n3)cn2)co1 ZINC000826377545 607712118 /nfs/dbraw/zinc/71/21/18/607712118.db2.gz WNKWWLTXGFRCCQ-UHFFFAOYSA-N -1 3 372.360 3.487 20 0 FGADHM COc1ccccc1[C@@H](CN[C@@H](C)c1ccc2c(c1)OCO2)NC(=O)[O-] ZINC000829597051 604759968 /nfs/dbraw/zinc/75/99/68/604759968.db2.gz DTICRJMGFUZYLQ-SWLSCSKDSA-N -1 3 358.394 3.083 20 0 FGADHM C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2ccc(C(=O)[O-])c(F)c2)C1 ZINC000827951006 604814001 /nfs/dbraw/zinc/81/40/01/604814001.db2.gz UQRVYCLIXIQYSS-CZUORRHYSA-N -1 3 356.397 3.089 20 0 FGADHM CC(C)(C(=O)[O-])[C@H](NCc1ccc(S(C)(=O)=O)cc1)c1ccccc1 ZINC000833416076 604865828 /nfs/dbraw/zinc/86/58/28/604865828.db2.gz WJPHOLHRWIPWOD-QGZVFWFLSA-N -1 3 361.463 3.032 20 0 FGADHM CC(C)(C(=O)[O-])[C@@H]1CCC[N@H+](Cc2nc3c4ccccc4oc3c(=O)[n-]2)C1 ZINC000833418906 604937480 /nfs/dbraw/zinc/93/74/80/604937480.db2.gz CMVUQKGTOIJVEB-GFCCVEGCSA-N -1 3 369.421 3.404 20 0 FGADHM CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](Cc2nc3c4ccccc4oc3c(=O)[n-]2)C1 ZINC000833418906 604937482 /nfs/dbraw/zinc/93/74/82/604937482.db2.gz CMVUQKGTOIJVEB-GFCCVEGCSA-N -1 3 369.421 3.404 20 0 FGADHM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCC2(C[C@H]2C(=O)N2CCCCC2)CC1 ZINC000833546671 605057874 /nfs/dbraw/zinc/05/78/74/605057874.db2.gz KJJPURRSDRBUPT-GJZGRUSLSA-N -1 3 360.454 3.153 20 0 FGADHM C[C@H](c1ccc(C(=O)[O-])o1)N1CCC2(C[C@@H]2C(=O)N2CCCCC2)CC1 ZINC000833546673 605058148 /nfs/dbraw/zinc/05/81/48/605058148.db2.gz KJJPURRSDRBUPT-HUUCEWRRSA-N -1 3 360.454 3.153 20 0 FGADHM CN1CC[C@H](NCc2ccc(C(=O)[O-])o2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000833697635 605121209 /nfs/dbraw/zinc/12/12/09/605121209.db2.gz HMGBHOIYCNVMGM-GOEBONIOSA-N -1 3 352.793 3.305 20 0 FGADHM CCN1C[C@H](C)N(Cc2csc(-c3cccc(C(=O)[O-])c3)n2)C[C@H]1C ZINC000833656191 605144590 /nfs/dbraw/zinc/14/45/90/605144590.db2.gz IPVWYTHEFAIPTO-KGLIPLIRSA-N -1 3 359.495 3.423 20 0 FGADHM CC(C)[C@H](c1ccccc1Cl)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000824215571 607738628 /nfs/dbraw/zinc/73/86/28/607738628.db2.gz LMMWRZLQPYVOCI-OAHLLOKOSA-N -1 3 358.833 3.318 20 0 FGADHM CC(C)[C@H](c1ccccc1Cl)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000824215571 607738629 /nfs/dbraw/zinc/73/86/29/607738629.db2.gz LMMWRZLQPYVOCI-OAHLLOKOSA-N -1 3 358.833 3.318 20 0 FGADHM CC(C)(C(=O)[O-])[C@H](NCC(=O)N1CCc2ccccc2C1)c1ccccc1 ZINC000833411474 605176609 /nfs/dbraw/zinc/17/66/09/605176609.db2.gz CFRMPMQDYVEYTI-HXUWFJFHSA-N -1 3 366.461 3.013 20 0 FGADHM CC(C)(C(=O)[O-])[C@H](NCC(=O)Nc1nc2c(s1)CCC2)c1ccccc1 ZINC000833413947 605180317 /nfs/dbraw/zinc/18/03/17/605180317.db2.gz PCVRAQSULBYLQB-MRXNPFEDSA-N -1 3 373.478 3.012 20 0 FGADHM O=C([O-])N[C@@H]1CCC[C@@H]2CN(Cc3coc(-c4ccc(F)cc4)n3)C[C@H]21 ZINC000834186929 605433294 /nfs/dbraw/zinc/43/32/94/605433294.db2.gz XQNQRCYOTWHAQH-KBRIMQKVSA-N -1 3 359.401 3.349 20 0 FGADHM O=C([O-])N[C@@H]1CCC[C@@H]2CN(Cc3ncc(-c4cccc(F)c4)o3)C[C@H]21 ZINC000834184071 605451957 /nfs/dbraw/zinc/45/19/57/605451957.db2.gz QMDKODLPOOZZCQ-FVQBIDKESA-N -1 3 359.401 3.349 20 0 FGADHM Cc1nn(Cc2ccccc2)c(C)c1CN1CCC[C@H](CNC(=O)[O-])C1 ZINC000833920222 605550871 /nfs/dbraw/zinc/55/08/71/605550871.db2.gz GTSZYVBBGGBPRT-GOSISDBHSA-N -1 3 356.470 3.028 20 0 FGADHM CC(C)C[C@H](C)NC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000824228832 607763385 /nfs/dbraw/zinc/76/33/85/607763385.db2.gz MILVRGOGRVTUQL-ZDUSSCGKSA-N -1 3 369.425 3.203 20 0 FGADHM O=C([O-])NC[C@@H]1CCN(CC2=Cc3cc(Cl)cc(Cl)c3OC2)C1 ZINC000834223590 605572088 /nfs/dbraw/zinc/57/20/88/605572088.db2.gz CGMCBTFBWYCREB-JTQLQIEISA-N -1 3 357.237 3.359 20 0 FGADHM Cc1nn(Cc2ccccc2)c(C)c1CN1CC[C@H](NC(=O)[O-])[C@@H](C)C1 ZINC000833922096 605593521 /nfs/dbraw/zinc/59/35/21/605593521.db2.gz YLHTVZQRFCLZLP-LIRRHRJNSA-N -1 3 356.470 3.026 20 0 FGADHM O=C(N[C@H](CC1CCCC1)c1ccccc1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000826426369 607768056 /nfs/dbraw/zinc/76/80/56/607768056.db2.gz LTJPASSTJQSYEU-MRXNPFEDSA-N -1 3 350.426 3.246 20 0 FGADHM O=C(N[C@H](CC1CCCC1)c1ccccc1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000826426369 607768057 /nfs/dbraw/zinc/76/80/57/607768057.db2.gz LTJPASSTJQSYEU-MRXNPFEDSA-N -1 3 350.426 3.246 20 0 FGADHM O=C([O-])Nc1cccc(CC(=O)NC[C@H](c2cccs2)N2CCCC2)c1 ZINC000834267656 605758227 /nfs/dbraw/zinc/75/82/27/605758227.db2.gz YHUMVBMUERYESA-MRXNPFEDSA-N -1 3 373.478 3.334 20 0 FGADHM O=C([O-])N[C@H]1C[C@H](NCc2cccc(Cn3cccn3)c2)c2ccccc21 ZINC000834158560 605792845 /nfs/dbraw/zinc/79/28/45/605792845.db2.gz OFIZITNMXCOUQP-PMACEKPBSA-N -1 3 362.433 3.475 20 0 FGADHM O=C1[C@@H](Sc2ccc(-c3nnn[n-]3)cc2)CCN1c1cccc(Cl)c1 ZINC000823510809 606022042 /nfs/dbraw/zinc/02/20/42/606022042.db2.gz AGJDHMKVHBRRMO-HNNXBMFYSA-N -1 3 371.853 3.418 20 0 FGADHM O=C1[C@@H](Sc2ccc(-c3nn[n-]n3)cc2)CCN1c1cccc(Cl)c1 ZINC000823510809 606022046 /nfs/dbraw/zinc/02/20/46/606022046.db2.gz AGJDHMKVHBRRMO-HNNXBMFYSA-N -1 3 371.853 3.418 20 0 FGADHM C[C@@H](Nc1nc2ccccc2cc1-c1nnn[n-]1)c1ccc2c(c1)OCO2 ZINC000820460816 606033396 /nfs/dbraw/zinc/03/33/96/606033396.db2.gz CEQNBVHFFSJYPX-LLVKDONJSA-N -1 3 360.377 3.317 20 0 FGADHM C[C@@H](Nc1nc2ccccc2cc1-c1nn[n-]n1)c1ccc2c(c1)OCO2 ZINC000820460816 606033400 /nfs/dbraw/zinc/03/34/00/606033400.db2.gz CEQNBVHFFSJYPX-LLVKDONJSA-N -1 3 360.377 3.317 20 0 FGADHM CCO[C@H](CCNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)C(C)C ZINC000821350833 606038501 /nfs/dbraw/zinc/03/85/01/606038501.db2.gz DYYKUWSEPLVWJW-LLVKDONJSA-N -1 3 358.368 3.144 20 0 FGADHM CCO[C@H](CCNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)C(C)C ZINC000821350833 606038507 /nfs/dbraw/zinc/03/85/07/606038507.db2.gz DYYKUWSEPLVWJW-LLVKDONJSA-N -1 3 358.368 3.144 20 0 FGADHM Fc1ccc(OCCNc2nc3ccccc3cc2-c2nnn[n-]2)cc1 ZINC000822782826 606039062 /nfs/dbraw/zinc/03/90/62/606039062.db2.gz IMCOAHPELWEGNG-UHFFFAOYSA-N -1 3 350.357 3.045 20 0 FGADHM Fc1ccc(OCCNc2nc3ccccc3cc2-c2nn[n-]n2)cc1 ZINC000822782826 606039066 /nfs/dbraw/zinc/03/90/66/606039066.db2.gz IMCOAHPELWEGNG-UHFFFAOYSA-N -1 3 350.357 3.045 20 0 FGADHM O=C([O-])Nc1ccccc1CC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000834271061 606043988 /nfs/dbraw/zinc/04/39/88/606043988.db2.gz FCVXJJAQSHPKHK-LJQANCHMSA-N -1 3 367.449 3.272 20 0 FGADHM CN(Cc1nccs1)c1c(-c2nnn[n-]2)cnc2ccc(Cl)cc21 ZINC000821618141 606045563 /nfs/dbraw/zinc/04/55/63/606045563.db2.gz SBCWXDJPWNORKI-UHFFFAOYSA-N -1 3 357.830 3.161 20 0 FGADHM CN(Cc1nccs1)c1c(-c2nn[n-]n2)cnc2ccc(Cl)cc21 ZINC000821618141 606045566 /nfs/dbraw/zinc/04/55/66/606045566.db2.gz SBCWXDJPWNORKI-UHFFFAOYSA-N -1 3 357.830 3.161 20 0 FGADHM Cc1c([C@H](C)Nc2ccc(-c3nnn[n-]3)nc2)cnn1-c1ccc(F)cc1 ZINC000822020326 606058986 /nfs/dbraw/zinc/05/89/86/606058986.db2.gz AGIXYKAWXMFUNH-NSHDSACASA-N -1 3 364.388 3.068 20 0 FGADHM Cc1c([C@H](C)Nc2ccc(-c3nn[n-]n3)nc2)cnn1-c1ccc(F)cc1 ZINC000822020326 606058992 /nfs/dbraw/zinc/05/89/92/606058992.db2.gz AGIXYKAWXMFUNH-NSHDSACASA-N -1 3 364.388 3.068 20 0 FGADHM c1ccc2nc(NCc3ccc(OCC4CC4)nc3)c(-c3nnn[n-]3)cc2c1 ZINC000823802443 606065856 /nfs/dbraw/zinc/06/58/56/606065856.db2.gz OJIUNRRIULECKL-UHFFFAOYSA-N -1 3 373.420 3.211 20 0 FGADHM c1ccc2nc(NCc3ccc(OCC4CC4)nc3)c(-c3nn[n-]n3)cc2c1 ZINC000823802443 606065861 /nfs/dbraw/zinc/06/58/61/606065861.db2.gz OJIUNRRIULECKL-UHFFFAOYSA-N -1 3 373.420 3.211 20 0 FGADHM COc1cccc(CNc2ccc(-c3nnn[n-]3)nc2)c1OC1CCCC1 ZINC000821867700 606088396 /nfs/dbraw/zinc/08/83/96/606088396.db2.gz KANAFQOIZWKCMV-UHFFFAOYSA-N -1 3 366.425 3.204 20 0 FGADHM COc1cccc(CNc2ccc(-c3nn[n-]n3)nc2)c1OC1CCCC1 ZINC000821867700 606088402 /nfs/dbraw/zinc/08/84/02/606088402.db2.gz KANAFQOIZWKCMV-UHFFFAOYSA-N -1 3 366.425 3.204 20 0 FGADHM CCO[C@@H]1C[C@@H](Nc2nc3ccccc3cc2-c2nnn[n-]2)C12CCC2 ZINC000821357842 606093014 /nfs/dbraw/zinc/09/30/14/606093014.db2.gz FZGLMNQCTUQBPH-HZPDHXFCSA-N -1 3 350.426 3.175 20 0 FGADHM CCO[C@@H]1C[C@@H](Nc2nc3ccccc3cc2-c2nn[n-]n2)C12CCC2 ZINC000821357842 606093017 /nfs/dbraw/zinc/09/30/17/606093017.db2.gz FZGLMNQCTUQBPH-HZPDHXFCSA-N -1 3 350.426 3.175 20 0 FGADHM Cc1ccc([C@@H]2OCCC[C@H]2CNc2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000822233688 606097188 /nfs/dbraw/zinc/09/71/88/606097188.db2.gz STUFANWPMKFZKT-YJBOKZPZSA-N -1 3 350.426 3.150 20 0 FGADHM Cc1ccc([C@@H]2OCCC[C@H]2CNc2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000822233688 606097193 /nfs/dbraw/zinc/09/71/93/606097193.db2.gz STUFANWPMKFZKT-YJBOKZPZSA-N -1 3 350.426 3.150 20 0 FGADHM Fc1ccc(F)c2c1ncc(-c1nnn[n-]1)c2N1C[C@@H]2CCCC[C@H]2C1 ZINC000822773958 606106436 /nfs/dbraw/zinc/10/64/36/606106436.db2.gz CIILLGNFGYQHDV-QWRGUYRKSA-N -1 3 356.380 3.320 20 0 FGADHM Fc1ccc(F)c2c1ncc(-c1nn[n-]n1)c2N1C[C@@H]2CCCC[C@H]2C1 ZINC000822773958 606106437 /nfs/dbraw/zinc/10/64/37/606106437.db2.gz CIILLGNFGYQHDV-QWRGUYRKSA-N -1 3 356.380 3.320 20 0 FGADHM C[C@@H]1CCN(C(=O)c2cccc(-c3nnn[n-]3)c2)[C@@H]1c1cccc(F)c1 ZINC000820716580 606109560 /nfs/dbraw/zinc/10/95/60/606109560.db2.gz JVBKIWUWXGHZGL-PXAZEXFGSA-N -1 3 351.385 3.229 20 0 FGADHM C[C@@H]1CCN(C(=O)c2cccc(-c3nn[n-]n3)c2)[C@@H]1c1cccc(F)c1 ZINC000820716580 606109562 /nfs/dbraw/zinc/10/95/62/606109562.db2.gz JVBKIWUWXGHZGL-PXAZEXFGSA-N -1 3 351.385 3.229 20 0 FGADHM CCS[C@@H]1CCCC[C@H]1NC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821456650 606130776 /nfs/dbraw/zinc/13/07/76/606130776.db2.gz RLSVCQFKVRHAHN-HZPDHXFCSA-N -1 3 374.514 3.072 20 0 FGADHM CCS[C@@H]1CCCC[C@H]1NC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821456650 606130777 /nfs/dbraw/zinc/13/07/77/606130777.db2.gz RLSVCQFKVRHAHN-HZPDHXFCSA-N -1 3 374.514 3.072 20 0 FGADHM CCS[C@@H]1CCCC[C@@H]1NC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821456651 606130779 /nfs/dbraw/zinc/13/07/79/606130779.db2.gz RLSVCQFKVRHAHN-JKSUJKDBSA-N -1 3 374.514 3.072 20 0 FGADHM CCS[C@@H]1CCCC[C@@H]1NC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821456651 606130780 /nfs/dbraw/zinc/13/07/80/606130780.db2.gz RLSVCQFKVRHAHN-JKSUJKDBSA-N -1 3 374.514 3.072 20 0 FGADHM c1ccc([C@H]2CN(c3ccc(-c4nnn[n-]4)cn3)Cc3ccccc32)cc1 ZINC000823780103 606137210 /nfs/dbraw/zinc/13/72/10/606137210.db2.gz ODMONIZVUDDJJZ-LJQANCHMSA-N -1 3 354.417 3.414 20 0 FGADHM c1ccc([C@H]2CN(c3ccc(-c4nn[n-]n4)cn3)Cc3ccccc32)cc1 ZINC000823780103 606137212 /nfs/dbraw/zinc/13/72/12/606137212.db2.gz ODMONIZVUDDJJZ-LJQANCHMSA-N -1 3 354.417 3.414 20 0 FGADHM CCO[C@@H](CCNc1nc2c(cc1-c1nnn[n-]1)CCC2)C1CCCC1 ZINC000821352186 606143593 /nfs/dbraw/zinc/14/35/93/606143593.db2.gz YYUSDGBSOIEQIZ-KRWDZBQOSA-N -1 3 356.474 3.148 20 0 FGADHM CCO[C@@H](CCNc1nc2c(cc1-c1nn[n-]n1)CCC2)C1CCCC1 ZINC000821352186 606143595 /nfs/dbraw/zinc/14/35/95/606143595.db2.gz YYUSDGBSOIEQIZ-KRWDZBQOSA-N -1 3 356.474 3.148 20 0 FGADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H]1CC12CCCC2 ZINC000820087079 606147503 /nfs/dbraw/zinc/14/75/03/606147503.db2.gz KPTJRJQRXVFORD-KRWDZBQOSA-N -1 3 353.470 3.432 20 0 FGADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@H]1CC12CCCC2 ZINC000820087079 606147505 /nfs/dbraw/zinc/14/75/05/606147505.db2.gz KPTJRJQRXVFORD-KRWDZBQOSA-N -1 3 353.470 3.432 20 0 FGADHM O=C(C/C=C\c1cccc(F)c1)OCCOc1ccccc1-c1nnn[n-]1 ZINC000822945351 606149537 /nfs/dbraw/zinc/14/95/37/606149537.db2.gz BSPKNPIKXKBITP-XQRVVYSFSA-N -1 3 368.368 3.031 20 0 FGADHM O=C(C/C=C\c1cccc(F)c1)OCCOc1ccccc1-c1nn[n-]n1 ZINC000822945351 606149539 /nfs/dbraw/zinc/14/95/39/606149539.db2.gz BSPKNPIKXKBITP-XQRVVYSFSA-N -1 3 368.368 3.031 20 0 FGADHM O=C(c1cccc2[nH]ccc21)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000823493637 606151495 /nfs/dbraw/zinc/15/14/95/606151495.db2.gz RGFRCQQRTHYRQG-UHFFFAOYSA-N -1 3 358.405 3.153 20 0 FGADHM O=C(c1cccc2[nH]ccc21)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000823493637 606151497 /nfs/dbraw/zinc/15/14/97/606151497.db2.gz RGFRCQQRTHYRQG-UHFFFAOYSA-N -1 3 358.405 3.153 20 0 FGADHM CC1(C)CCN1C(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000820602000 606151553 /nfs/dbraw/zinc/15/15/53/606151553.db2.gz XROFJLKSLYSFCZ-UHFFFAOYSA-N -1 3 363.421 3.070 20 0 FGADHM CC1(C)CCN1C(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000820602000 606151556 /nfs/dbraw/zinc/15/15/56/606151556.db2.gz XROFJLKSLYSFCZ-UHFFFAOYSA-N -1 3 363.421 3.070 20 0 FGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)c1c(Cl)cccc1Cl ZINC000823250529 606152892 /nfs/dbraw/zinc/15/28/92/606152892.db2.gz ZNEAEYAEHMVBMN-UHFFFAOYSA-N -1 3 366.183 3.243 20 0 FGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)c1c(Cl)cccc1Cl ZINC000823250529 606152894 /nfs/dbraw/zinc/15/28/94/606152894.db2.gz ZNEAEYAEHMVBMN-UHFFFAOYSA-N -1 3 366.183 3.243 20 0 FGADHM CCS[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000821456088 606153568 /nfs/dbraw/zinc/15/35/68/606153568.db2.gz NCVXONBWYHVVQF-ZIAGYGMSSA-N -1 3 364.450 3.192 20 0 FGADHM CCS[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821456088 606153569 /nfs/dbraw/zinc/15/35/69/606153569.db2.gz NCVXONBWYHVVQF-ZIAGYGMSSA-N -1 3 364.450 3.192 20 0 FGADHM Clc1cc(Cl)c2nc(CNc3ccc(-c4nn[n-]n4)cc3)cn2c1 ZINC000822567956 606156183 /nfs/dbraw/zinc/15/61/83/606156183.db2.gz JKTVICUBCYLXFB-UHFFFAOYSA-N -1 3 360.208 3.433 20 0 FGADHM C[C@@H](SCC(=O)N1[C@H](C)CCC[C@@H]1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820550298 606179223 /nfs/dbraw/zinc/17/92/23/606179223.db2.gz WJVZAEJJIZZHMT-HZSPNIEDSA-N -1 3 359.499 3.450 20 0 FGADHM C[C@@H](SCC(=O)N1[C@H](C)CCC[C@@H]1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820550298 606179225 /nfs/dbraw/zinc/17/92/25/606179225.db2.gz WJVZAEJJIZZHMT-HZSPNIEDSA-N -1 3 359.499 3.450 20 0 FGADHM Fc1cc(Cl)cnc1NCCSCc1ccccc1-c1nnn[n-]1 ZINC000822748045 606183403 /nfs/dbraw/zinc/18/34/03/606183403.db2.gz FBOPLMPYKKZDPN-UHFFFAOYSA-N -1 3 364.837 3.400 20 0 FGADHM Fc1cc(Cl)cnc1NCCSCc1ccccc1-c1nn[n-]n1 ZINC000822748045 606183405 /nfs/dbraw/zinc/18/34/05/606183405.db2.gz FBOPLMPYKKZDPN-UHFFFAOYSA-N -1 3 364.837 3.400 20 0 FGADHM O=C1OC(c2ccc(-c3nnn[n-]3)cc2)=NC1=Cc1ccccc1C1CC1 ZINC000823547601 606183934 /nfs/dbraw/zinc/18/39/34/606183934.db2.gz LCDGFUFJMDFRSF-GZTJUZNOSA-N -1 3 357.373 3.089 20 0 FGADHM O=C1OC(c2ccc(-c3nn[n-]n3)cc2)=NC1=Cc1ccccc1C1CC1 ZINC000823547601 606183937 /nfs/dbraw/zinc/18/39/37/606183937.db2.gz LCDGFUFJMDFRSF-GZTJUZNOSA-N -1 3 357.373 3.089 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc(OC(C)(C)C)cc1 ZINC000821766328 606185386 /nfs/dbraw/zinc/18/53/86/606185386.db2.gz UKWBNDONYWEGOU-UHFFFAOYSA-N -1 3 367.409 3.305 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(OC(C)(C)C)cc1 ZINC000821766328 606185388 /nfs/dbraw/zinc/18/53/88/606185388.db2.gz UKWBNDONYWEGOU-UHFFFAOYSA-N -1 3 367.409 3.305 20 0 FGADHM O=C(c1ccc(-c2nnn[n-]2)cn1)N1CCCSc2ccc(Cl)cc21 ZINC000823478313 606193550 /nfs/dbraw/zinc/19/35/50/606193550.db2.gz IUWLTYIKWCNYMO-UHFFFAOYSA-N -1 3 372.841 3.058 20 0 FGADHM O=C(c1ccc(-c2nn[n-]n2)cn1)N1CCCSc2ccc(Cl)cc21 ZINC000823478313 606193552 /nfs/dbraw/zinc/19/35/52/606193552.db2.gz IUWLTYIKWCNYMO-UHFFFAOYSA-N -1 3 372.841 3.058 20 0 FGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N1CCSC2(CCCCC2)C1 ZINC000823360107 606194886 /nfs/dbraw/zinc/19/48/86/606194886.db2.gz VSOHFMPUTZQUNN-UHFFFAOYSA-N -1 3 358.471 3.150 20 0 FGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N1CCSC2(CCCCC2)C1 ZINC000823360107 606194887 /nfs/dbraw/zinc/19/48/87/606194887.db2.gz VSOHFMPUTZQUNN-UHFFFAOYSA-N -1 3 358.471 3.150 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1occc1Br ZINC000823309292 606209719 /nfs/dbraw/zinc/20/97/19/606209719.db2.gz WCIHJALDPSEWHP-UHFFFAOYSA-N -1 3 368.578 3.128 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1occc1Br ZINC000823309292 606209720 /nfs/dbraw/zinc/20/97/20/606209720.db2.gz WCIHJALDPSEWHP-UHFFFAOYSA-N -1 3 368.578 3.128 20 0 FGADHM Cn1c(CCCNc2cc(Cl)ccc2-c2nnn[n-]2)nc2ccccc21 ZINC000822595771 606223317 /nfs/dbraw/zinc/22/33/17/606223317.db2.gz DKMQMNIQRYNRAK-UHFFFAOYSA-N -1 3 367.844 3.452 20 0 FGADHM Cn1c(CCCNc2cc(Cl)ccc2-c2nn[n-]n2)nc2ccccc21 ZINC000822595771 606223318 /nfs/dbraw/zinc/22/33/18/606223318.db2.gz DKMQMNIQRYNRAK-UHFFFAOYSA-N -1 3 367.844 3.452 20 0 FGADHM CCC[C@@H](C)OC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000821014034 606226839 /nfs/dbraw/zinc/22/68/39/606226839.db2.gz AZWHHVDTHBMSPU-GFCCVEGCSA-N -1 3 353.382 3.399 20 0 FGADHM CCC[C@@H](C)OC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000821014034 606226841 /nfs/dbraw/zinc/22/68/41/606226841.db2.gz AZWHHVDTHBMSPU-GFCCVEGCSA-N -1 3 353.382 3.399 20 0 FGADHM C[C@@H]1CCc2sc(C(=O)Nc3ccc(F)cc3-c3nnn[n-]3)cc2C1 ZINC000820736436 606262415 /nfs/dbraw/zinc/26/24/15/606262415.db2.gz ZLEOJYJHYRTMFF-SECBINFHSA-N -1 3 357.414 3.444 20 0 FGADHM C[C@@H]1CCc2sc(C(=O)Nc3ccc(F)cc3-c3nn[n-]n3)cc2C1 ZINC000820736436 606262416 /nfs/dbraw/zinc/26/24/16/606262416.db2.gz ZLEOJYJHYRTMFF-SECBINFHSA-N -1 3 357.414 3.444 20 0 FGADHM CC(C)CCOc1ccc([C@H](C)NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)cc1 ZINC000820076869 606266055 /nfs/dbraw/zinc/26/60/55/606266055.db2.gz VMNKYFKIFSDLQH-ZDUSSCGKSA-N -1 3 368.441 3.111 20 0 FGADHM CC(C)CCOc1ccc([C@H](C)NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)cc1 ZINC000820076869 606266056 /nfs/dbraw/zinc/26/60/56/606266056.db2.gz VMNKYFKIFSDLQH-ZDUSSCGKSA-N -1 3 368.441 3.111 20 0 FGADHM CCCCN(C)c1ccc(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000821060641 606266433 /nfs/dbraw/zinc/26/64/33/606266433.db2.gz GHKHHAXDBFUSKJ-UHFFFAOYSA-N -1 3 368.416 3.494 20 0 FGADHM CCCCN(C)c1ccc(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000821060641 606266435 /nfs/dbraw/zinc/26/64/35/606266435.db2.gz GHKHHAXDBFUSKJ-UHFFFAOYSA-N -1 3 368.416 3.494 20 0 FGADHM COc1ccccc1[C@@H](C)CC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000821883216 606266580 /nfs/dbraw/zinc/26/65/80/606266580.db2.gz SKBSPXOBZAUSDN-NSHDSACASA-N -1 3 355.373 3.147 20 0 FGADHM COc1ccccc1[C@@H](C)CC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000821883216 606266581 /nfs/dbraw/zinc/26/65/81/606266581.db2.gz SKBSPXOBZAUSDN-NSHDSACASA-N -1 3 355.373 3.147 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)c1ccc(F)c(C(F)(F)F)c1 ZINC000823346054 606267538 /nfs/dbraw/zinc/26/75/38/606267538.db2.gz HIIJDZADJGKLJM-UHFFFAOYSA-N -1 3 369.253 3.416 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)c1ccc(F)c(C(F)(F)F)c1 ZINC000823346054 606267540 /nfs/dbraw/zinc/26/75/40/606267540.db2.gz HIIJDZADJGKLJM-UHFFFAOYSA-N -1 3 369.253 3.416 20 0 FGADHM Cc1ccc(OCCCC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)cc1C ZINC000822263439 606272964 /nfs/dbraw/zinc/27/29/64/606272964.db2.gz OUWXOXWLPOMDBN-UHFFFAOYSA-N -1 3 369.400 3.420 20 0 FGADHM Cc1ccc(OCCCC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)cc1C ZINC000822263439 606272966 /nfs/dbraw/zinc/27/29/66/606272966.db2.gz OUWXOXWLPOMDBN-UHFFFAOYSA-N -1 3 369.400 3.420 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(OC)c(F)c1 ZINC000821123121 606283089 /nfs/dbraw/zinc/28/30/89/606283089.db2.gz KDIOUGHUTNZVDU-UHFFFAOYSA-N -1 3 370.388 3.089 20 0 FGADHM CC[C@@H](Oc1ccccc1F)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820938722 606290193 /nfs/dbraw/zinc/29/01/93/606290193.db2.gz MMMVVXGZONJHKS-MLGOLLRUSA-N -1 3 369.400 3.041 20 0 FGADHM CC[C@@H](Oc1ccccc1F)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820938722 606290195 /nfs/dbraw/zinc/29/01/95/606290195.db2.gz MMMVVXGZONJHKS-MLGOLLRUSA-N -1 3 369.400 3.041 20 0 FGADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N(Cc1cc(F)ccc1F)C1CCCC1 ZINC000823460122 606296341 /nfs/dbraw/zinc/29/63/41/606296341.db2.gz HPJFVSZJARUNBL-UHFFFAOYSA-N -1 3 372.379 3.058 20 0 FGADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N(Cc1cc(F)ccc1F)C1CCCC1 ZINC000823460122 606296343 /nfs/dbraw/zinc/29/63/43/606296343.db2.gz HPJFVSZJARUNBL-UHFFFAOYSA-N -1 3 372.379 3.058 20 0 FGADHM COC(=O)[C@@H](N[C@H](C)c1ccc(C)c(C)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000821640117 606302564 /nfs/dbraw/zinc/30/25/64/606302564.db2.gz AUMGYUDLLBAMLK-KDOFPFPSSA-N -1 3 365.437 3.048 20 0 FGADHM COC(=O)[C@@H](N[C@H](C)c1ccc(C)c(C)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000821640117 606302566 /nfs/dbraw/zinc/30/25/66/606302566.db2.gz AUMGYUDLLBAMLK-KDOFPFPSSA-N -1 3 365.437 3.048 20 0 FGADHM O=C(Nc1ccccc1SC1CCCC1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823372384 606314297 /nfs/dbraw/zinc/31/42/97/606314297.db2.gz AGFLTKNWYYQBHQ-UHFFFAOYSA-N -1 3 354.439 3.482 20 0 FGADHM O=C(Nc1ccccc1SC1CCCC1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823372384 606314299 /nfs/dbraw/zinc/31/42/99/606314299.db2.gz AGFLTKNWYYQBHQ-UHFFFAOYSA-N -1 3 354.439 3.482 20 0 FGADHM Cc1cccc([C@@H]2CCCCCN2C(=O)c2cc(-c3nnn[n-]3)c[nH]2)c1 ZINC000822299720 606322099 /nfs/dbraw/zinc/32/20/99/606322099.db2.gz SGMHDDZDWZXMED-KRWDZBQOSA-N -1 3 350.426 3.261 20 0 FGADHM Cc1cccc([C@@H]2CCCCCN2C(=O)c2cc(-c3nn[n-]n3)c[nH]2)c1 ZINC000822299720 606322100 /nfs/dbraw/zinc/32/21/00/606322100.db2.gz SGMHDDZDWZXMED-KRWDZBQOSA-N -1 3 350.426 3.261 20 0 FGADHM CCN(Cc1cccc(F)c1)C(=O)CSc1cccc(-c2nnn[n-]2)c1 ZINC000821220727 606328472 /nfs/dbraw/zinc/32/84/72/606328472.db2.gz FCNDSSNQAPMLJP-UHFFFAOYSA-N -1 3 371.441 3.147 20 0 FGADHM CCN(Cc1cccc(F)c1)C(=O)CSc1cccc(-c2nn[n-]n2)c1 ZINC000821220727 606328474 /nfs/dbraw/zinc/32/84/74/606328474.db2.gz FCNDSSNQAPMLJP-UHFFFAOYSA-N -1 3 371.441 3.147 20 0 FGADHM C[C@@H](OC(=O)c1ccc(Br)o1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820512126 606339449 /nfs/dbraw/zinc/33/94/49/606339449.db2.gz HNDXXDIBNAGGLX-MRVPVSSYSA-N -1 3 363.171 3.140 20 0 FGADHM C[C@@H](OC(=O)c1ccc(Br)o1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820512126 606339451 /nfs/dbraw/zinc/33/94/51/606339451.db2.gz HNDXXDIBNAGGLX-MRVPVSSYSA-N -1 3 363.171 3.140 20 0 FGADHM C[C@H](Oc1cccc(F)c1)C(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820533034 606352946 /nfs/dbraw/zinc/35/29/46/606352946.db2.gz BEBPLBAJHIWPFL-RYUDHWBXSA-N -1 3 356.357 3.078 20 0 FGADHM C[C@H](Oc1cccc(F)c1)C(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820533034 606352947 /nfs/dbraw/zinc/35/29/47/606352947.db2.gz BEBPLBAJHIWPFL-RYUDHWBXSA-N -1 3 356.357 3.078 20 0 FGADHM O=C(Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)c1cncs1 ZINC000823453881 606360590 /nfs/dbraw/zinc/36/05/90/606360590.db2.gz CWDRGUJFUBTQQH-UHFFFAOYSA-N -1 3 365.374 3.335 20 0 FGADHM CCS[C@@H]1CCC[C@H](NC(=O)C=Cc2ccccc2-c2nnn[n-]2)C1 ZINC000821447312 606364132 /nfs/dbraw/zinc/36/41/32/606364132.db2.gz IZXURRCRVPKYNT-KZGTWKPJSA-N -1 3 357.483 3.060 20 0 FGADHM CCS[C@@H]1CCC[C@H](NC(=O)C=Cc2ccccc2-c2nn[n-]n2)C1 ZINC000821447312 606364133 /nfs/dbraw/zinc/36/41/33/606364133.db2.gz IZXURRCRVPKYNT-KZGTWKPJSA-N -1 3 357.483 3.060 20 0 FGADHM CC[C@@H](Oc1ccccc1F)C(=O)OCc1cc(-c2nnn[n-]2)ccc1F ZINC000820938015 606373352 /nfs/dbraw/zinc/37/33/52/606373352.db2.gz GMVKJWBGDUSPOH-OAHLLOKOSA-N -1 3 374.347 3.046 20 0 FGADHM CC[C@@H](Oc1ccccc1F)C(=O)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000820938015 606373354 /nfs/dbraw/zinc/37/33/54/606373354.db2.gz GMVKJWBGDUSPOH-OAHLLOKOSA-N -1 3 374.347 3.046 20 0 FGADHM CCS[C@@H]1CCC[C@H]1NC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000821456262 606380212 /nfs/dbraw/zinc/38/02/12/606380212.db2.gz OLDMKYPRKURNEN-CHWSQXEVSA-N -1 3 366.878 3.316 20 0 FGADHM CCS[C@@H]1CCC[C@H]1NC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000821456262 606380213 /nfs/dbraw/zinc/38/02/13/606380213.db2.gz OLDMKYPRKURNEN-CHWSQXEVSA-N -1 3 366.878 3.316 20 0 FGADHM C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820650262 606383984 /nfs/dbraw/zinc/38/39/84/606383984.db2.gz SVNUXEIXVVRHKT-CJNGLKHVSA-N -1 3 356.474 3.223 20 0 FGADHM C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820650262 606383987 /nfs/dbraw/zinc/38/39/87/606383987.db2.gz SVNUXEIXVVRHKT-CJNGLKHVSA-N -1 3 356.474 3.223 20 0 FGADHM Cc1cc(SCCC(C)(C)O)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000822212905 606399849 /nfs/dbraw/zinc/39/98/49/606399849.db2.gz MCVLQROUVOMWTL-UHFFFAOYSA-N -1 3 368.466 3.229 20 0 FGADHM Cc1cc(SCCC(C)(C)O)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC000822212905 606399850 /nfs/dbraw/zinc/39/98/50/606399850.db2.gz MCVLQROUVOMWTL-UHFFFAOYSA-N -1 3 368.466 3.229 20 0 FGADHM Fc1cccc(OC(F)F)c1CNc1ccc(-c2nn[n-]n2)cc1F ZINC000822748042 606420496 /nfs/dbraw/zinc/42/04/96/606420496.db2.gz DXUQOWJWKHHBQO-UHFFFAOYSA-N -1 3 353.279 3.358 20 0 FGADHM CC(C)[C@@H]1OCCC[C@H]1CNc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000820045958 606427060 /nfs/dbraw/zinc/42/70/60/606427060.db2.gz OZIVMRKVKJDSJI-UGSOOPFHSA-N -1 3 352.442 3.278 20 0 FGADHM CC(C)[C@@H]1OCCC[C@H]1CNc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000820045958 606427062 /nfs/dbraw/zinc/42/70/62/606427062.db2.gz OZIVMRKVKJDSJI-UGSOOPFHSA-N -1 3 352.442 3.278 20 0 FGADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)N(CC(F)F)c1ccccc1 ZINC000822974212 606430977 /nfs/dbraw/zinc/43/09/77/606430977.db2.gz BIBTXASRRKPMIC-UHFFFAOYSA-N -1 3 357.364 3.098 20 0 FGADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)N(CC(F)F)c1ccccc1 ZINC000822974212 606430979 /nfs/dbraw/zinc/43/09/79/606430979.db2.gz BIBTXASRRKPMIC-UHFFFAOYSA-N -1 3 357.364 3.098 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1cc(C)ns1 ZINC000821104706 606437206 /nfs/dbraw/zinc/43/72/06/606437206.db2.gz OACLALUOONRWGS-UHFFFAOYSA-N -1 3 357.443 3.076 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cc(C)ns1 ZINC000821104706 606437208 /nfs/dbraw/zinc/43/72/08/606437208.db2.gz OACLALUOONRWGS-UHFFFAOYSA-N -1 3 357.443 3.076 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N1CCC(c2cccc(F)c2)CC1 ZINC000823309023 606439564 /nfs/dbraw/zinc/43/95/64/606439564.db2.gz POJYYFXCZRXKBY-UHFFFAOYSA-N -1 3 366.400 3.417 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N1CCC(c2cccc(F)c2)CC1 ZINC000823309023 606439566 /nfs/dbraw/zinc/43/95/66/606439566.db2.gz POJYYFXCZRXKBY-UHFFFAOYSA-N -1 3 366.400 3.417 20 0 FGADHM FC(F)(F)[C@@H]1CCC[C@H](Nc2c(-c3nnn[n-]3)cnc3ccccc32)C1 ZINC000822714635 606447443 /nfs/dbraw/zinc/44/74/43/606447443.db2.gz QQEDAYCHPPSXIW-MNOVXSKESA-N -1 3 362.359 3.370 20 0 FGADHM FC(F)(F)[C@@H]1CCC[C@H](Nc2c(-c3nn[n-]n3)cnc3ccccc32)C1 ZINC000822714635 606447445 /nfs/dbraw/zinc/44/74/45/606447445.db2.gz QQEDAYCHPPSXIW-MNOVXSKESA-N -1 3 362.359 3.370 20 0 FGADHM Cc1nc(CNc2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)cs1 ZINC000822444476 606457377 /nfs/dbraw/zinc/45/73/77/606457377.db2.gz SQKFUZRPSOMWLL-UHFFFAOYSA-N -1 3 359.365 3.070 20 0 FGADHM Cc1nc(CNc2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)cs1 ZINC000822444476 606457379 /nfs/dbraw/zinc/45/73/79/606457379.db2.gz SQKFUZRPSOMWLL-UHFFFAOYSA-N -1 3 359.365 3.070 20 0 FGADHM O=C(OCc1cc(Br)cs1)c1cc(-c2nnn[n-]2)cs1 ZINC000823413349 606467713 /nfs/dbraw/zinc/46/77/13/606467713.db2.gz FWZGGDSSWQZUKO-UHFFFAOYSA-N -1 3 371.241 3.109 20 0 FGADHM O=C(OCc1cc(Br)cs1)c1cc(-c2nn[n-]n2)cs1 ZINC000823413349 606467714 /nfs/dbraw/zinc/46/77/14/606467714.db2.gz FWZGGDSSWQZUKO-UHFFFAOYSA-N -1 3 371.241 3.109 20 0 FGADHM C[C@@H](NC(=S)Nc1ccccc1-c1nnn[n-]1)c1ccc(F)cc1F ZINC000821995048 606472730 /nfs/dbraw/zinc/47/27/30/606472730.db2.gz XPRGJORZTCZVEA-SECBINFHSA-N -1 3 360.393 3.193 20 0 FGADHM C[C@@H](NC(=S)Nc1ccccc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC000821995048 606472732 /nfs/dbraw/zinc/47/27/32/606472732.db2.gz XPRGJORZTCZVEA-SECBINFHSA-N -1 3 360.393 3.193 20 0 FGADHM Cc1ccc(OC(=O)Cc2cccc(-c3nnn[n-]3)c2)c(Br)c1 ZINC000822259291 606494294 /nfs/dbraw/zinc/49/42/94/606494294.db2.gz SMMJBVDVRMJVIP-UHFFFAOYSA-N -1 3 373.210 3.086 20 0 FGADHM Cc1ccc(OC(=O)Cc2cccc(-c3nn[n-]n3)c2)c(Br)c1 ZINC000822259291 606494296 /nfs/dbraw/zinc/49/42/96/606494296.db2.gz SMMJBVDVRMJVIP-UHFFFAOYSA-N -1 3 373.210 3.086 20 0 FGADHM COc1ccc(NC(=O)c2cc(-c3nnn[n-]3)cs2)c(C(F)(F)F)c1 ZINC000821836007 606495059 /nfs/dbraw/zinc/49/50/59/606495059.db2.gz XNHPQRXHFJZVQT-UHFFFAOYSA-N -1 3 369.328 3.208 20 0 FGADHM COc1ccc(NC(=O)c2cc(-c3nn[n-]n3)cs2)c(C(F)(F)F)c1 ZINC000821836007 606495060 /nfs/dbraw/zinc/49/50/60/606495060.db2.gz XNHPQRXHFJZVQT-UHFFFAOYSA-N -1 3 369.328 3.208 20 0 FGADHM CCCOc1ccc([C@@H](C)NC(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821127033 606505240 /nfs/dbraw/zinc/50/52/40/606505240.db2.gz AHFZGIXDTWSNDC-CQSZACIVSA-N -1 3 365.437 3.075 20 0 FGADHM CCCOc1ccc([C@@H](C)NC(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821127033 606505242 /nfs/dbraw/zinc/50/52/42/606505242.db2.gz AHFZGIXDTWSNDC-CQSZACIVSA-N -1 3 365.437 3.075 20 0 FGADHM Cc1ccc(NC(=O)c2cc(-c3nnn[n-]3)cs2)cc1OCC(F)F ZINC000822254576 606506679 /nfs/dbraw/zinc/50/66/79/606506679.db2.gz NEWDBIBLZGEJRT-UHFFFAOYSA-N -1 3 365.365 3.133 20 0 FGADHM Cc1ccc(NC(=O)c2cc(-c3nn[n-]n3)cs2)cc1OCC(F)F ZINC000822254576 606506681 /nfs/dbraw/zinc/50/66/81/606506681.db2.gz NEWDBIBLZGEJRT-UHFFFAOYSA-N -1 3 365.365 3.133 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc2ccc(Cl)cc2n1 ZINC000823337855 606508390 /nfs/dbraw/zinc/50/83/90/606508390.db2.gz ULSTVZLJFUWAQU-UHFFFAOYSA-N -1 3 368.759 3.460 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc2ccc(Cl)cc2n1 ZINC000823337855 606508392 /nfs/dbraw/zinc/50/83/92/606508392.db2.gz ULSTVZLJFUWAQU-UHFFFAOYSA-N -1 3 368.759 3.460 20 0 FGADHM Cc1ccc(NC(=O)c2cc(-c3nnn[n-]3)cs2)cc1OC(F)F ZINC000822255267 606513442 /nfs/dbraw/zinc/51/34/42/606513442.db2.gz XYUNDLCMVFKLHN-UHFFFAOYSA-N -1 3 351.338 3.090 20 0 FGADHM Cc1ccc(NC(=O)c2cc(-c3nn[n-]n3)cs2)cc1OC(F)F ZINC000822255267 606513443 /nfs/dbraw/zinc/51/34/43/606513443.db2.gz XYUNDLCMVFKLHN-UHFFFAOYSA-N -1 3 351.338 3.090 20 0 FGADHM C[C@@H]1SCCN(C(=O)c2cc(-c3nnn[n-]3)cs2)[C@@H]1c1ccccc1 ZINC000820818956 606514086 /nfs/dbraw/zinc/51/40/86/606514086.db2.gz CZEJNMFRZQHRSL-NHYWBVRUSA-N -1 3 371.491 3.247 20 0 FGADHM C[C@@H]1SCCN(C(=O)c2cc(-c3nn[n-]n3)cs2)[C@@H]1c1ccccc1 ZINC000820818956 606514087 /nfs/dbraw/zinc/51/40/87/606514087.db2.gz CZEJNMFRZQHRSL-NHYWBVRUSA-N -1 3 371.491 3.247 20 0 FGADHM CCC1(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)nc2)CC1 ZINC000820945320 606523953 /nfs/dbraw/zinc/52/39/53/606523953.db2.gz RBFIYTTVHBMSLU-UHFFFAOYSA-N -1 3 350.382 3.183 20 0 FGADHM CCC1(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)nc2)CC1 ZINC000820945320 606523955 /nfs/dbraw/zinc/52/39/55/606523955.db2.gz RBFIYTTVHBMSLU-UHFFFAOYSA-N -1 3 350.382 3.183 20 0 FGADHM O=C(c1cc(-c2nnn[n-]2)cs1)N1CCC(CCc2ccccc2)CC1 ZINC000823465804 606534618 /nfs/dbraw/zinc/53/46/18/606534618.db2.gz AEPDLPBOPGRHDC-UHFFFAOYSA-N -1 3 367.478 3.413 20 0 FGADHM O=C(c1cc(-c2nn[n-]n2)cs1)N1CCC(CCc2ccccc2)CC1 ZINC000823465804 606534619 /nfs/dbraw/zinc/53/46/19/606534619.db2.gz AEPDLPBOPGRHDC-UHFFFAOYSA-N -1 3 367.478 3.413 20 0 FGADHM C[C@@H](C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)C1CCCC1 ZINC000819867572 606548321 /nfs/dbraw/zinc/54/83/21/606548321.db2.gz UCJZMCPBVIREKK-SECBINFHSA-N -1 3 351.357 3.233 20 0 FGADHM C[C@@H](C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)C1CCCC1 ZINC000819867572 606548323 /nfs/dbraw/zinc/54/83/23/606548323.db2.gz UCJZMCPBVIREKK-SECBINFHSA-N -1 3 351.357 3.233 20 0 FGADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N(CC1CC1)c1ccccc1 ZINC000820536688 606549638 /nfs/dbraw/zinc/54/96/38/606549638.db2.gz WSDXIDZTAJGMPI-CQSZACIVSA-N -1 3 363.421 3.077 20 0 FGADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N(CC1CC1)c1ccccc1 ZINC000820536688 606549639 /nfs/dbraw/zinc/54/96/39/606549639.db2.gz WSDXIDZTAJGMPI-CQSZACIVSA-N -1 3 363.421 3.077 20 0 FGADHM CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820912973 606564990 /nfs/dbraw/zinc/56/49/90/606564990.db2.gz AWGKCWQXVONPLX-KRWDZBQOSA-N -1 3 369.856 3.200 20 0 FGADHM CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820912973 606564991 /nfs/dbraw/zinc/56/49/91/606564991.db2.gz AWGKCWQXVONPLX-KRWDZBQOSA-N -1 3 369.856 3.200 20 0 FGADHM C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000820668801 606575570 /nfs/dbraw/zinc/57/55/70/606575570.db2.gz WUCCDEQTDMPIJJ-FZKQIMNGSA-N -1 3 365.412 3.158 20 0 FGADHM C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000820668801 606575571 /nfs/dbraw/zinc/57/55/71/606575571.db2.gz WUCCDEQTDMPIJJ-FZKQIMNGSA-N -1 3 365.412 3.158 20 0 FGADHM Cc1cccc(CC2CN(C(=O)Nc3ccc(F)c(-c4nnn[n-]4)c3)C2)c1 ZINC000822299632 606576987 /nfs/dbraw/zinc/57/69/87/606576987.db2.gz PQUQSPOIYRFANR-UHFFFAOYSA-N -1 3 366.400 3.021 20 0 FGADHM Cc1cccc(CC2CN(C(=O)Nc3ccc(F)c(-c4nn[n-]n4)c3)C2)c1 ZINC000822299632 606576988 /nfs/dbraw/zinc/57/69/88/606576988.db2.gz PQUQSPOIYRFANR-UHFFFAOYSA-N -1 3 366.400 3.021 20 0 FGADHM C[C@@H]1[C@@H](C)CCN1C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820716332 606577527 /nfs/dbraw/zinc/57/75/27/606577527.db2.gz IZHOHZBJKOUOGG-DTWKUNHWSA-N -1 3 354.336 3.148 20 0 FGADHM C[C@@H]1[C@@H](C)CCN1C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820716332 606577529 /nfs/dbraw/zinc/57/75/29/606577529.db2.gz IZHOHZBJKOUOGG-DTWKUNHWSA-N -1 3 354.336 3.148 20 0 FGADHM FC(F)Oc1cc(-c2nnn[n-]2)ccc1CSc1nccn1C1CC1 ZINC000822731970 606589689 /nfs/dbraw/zinc/58/96/89/606589689.db2.gz HAURCNDUFMPPJU-UHFFFAOYSA-N -1 3 364.381 3.292 20 0 FGADHM FC(F)Oc1cc(-c2nn[n-]n2)ccc1CSc1nccn1C1CC1 ZINC000822731970 606589690 /nfs/dbraw/zinc/58/96/90/606589690.db2.gz HAURCNDUFMPPJU-UHFFFAOYSA-N -1 3 364.381 3.292 20 0 FGADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(N2CCS[C@@H]3CCCC[C@H]32)n1 ZINC000822723301 606594122 /nfs/dbraw/zinc/59/41/22/606594122.db2.gz CXQHHPFMFJSUKL-GHMZBOCLSA-N -1 3 370.404 3.145 20 0 FGADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(N2CCS[C@@H]3CCCC[C@H]32)n1 ZINC000822723301 606594123 /nfs/dbraw/zinc/59/41/23/606594123.db2.gz CXQHHPFMFJSUKL-GHMZBOCLSA-N -1 3 370.404 3.145 20 0 FGADHM O=C(CCc1ccoc1)N(Cc1ccco1)c1ccccc1-c1nnn[n-]1 ZINC000822983798 606603202 /nfs/dbraw/zinc/60/32/02/606603202.db2.gz UROKMIHBIPEPEX-UHFFFAOYSA-N -1 3 363.377 3.219 20 0 FGADHM O=C(CCc1ccoc1)N(Cc1ccco1)c1ccccc1-c1nn[n-]n1 ZINC000822983798 606603204 /nfs/dbraw/zinc/60/32/04/606603204.db2.gz UROKMIHBIPEPEX-UHFFFAOYSA-N -1 3 363.377 3.219 20 0 FGADHM COc1cccc([C@H](C)CC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000821860254 606604349 /nfs/dbraw/zinc/60/43/49/606604349.db2.gz ZMRMPZYRXZRFSI-KGLIPLIRSA-N -1 3 365.437 3.246 20 0 FGADHM COc1cccc([C@H](C)CC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000821860254 606604351 /nfs/dbraw/zinc/60/43/51/606604351.db2.gz ZMRMPZYRXZRFSI-KGLIPLIRSA-N -1 3 365.437 3.246 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@H]2CCC[C@H]21 ZINC000821406985 606657332 /nfs/dbraw/zinc/65/73/32/606657332.db2.gz MXLDODIPXYDLAF-IUODEOHRSA-N -1 3 356.430 3.062 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@H]2CCC[C@H]21 ZINC000821406985 606657333 /nfs/dbraw/zinc/65/73/33/606657333.db2.gz MXLDODIPXYDLAF-IUODEOHRSA-N -1 3 356.430 3.062 20 0 FGADHM C[C@H](c1ccco1)N(C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)C1CC1 ZINC000820570384 606657875 /nfs/dbraw/zinc/65/78/75/606657875.db2.gz ITPWRMJOHSMQMW-SNVBAGLBSA-N -1 3 356.361 3.356 20 0 FGADHM C[C@H](c1ccco1)N(C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)C1CC1 ZINC000820570384 606657876 /nfs/dbraw/zinc/65/78/76/606657876.db2.gz ITPWRMJOHSMQMW-SNVBAGLBSA-N -1 3 356.361 3.356 20 0 FGADHM O=C(Nc1cccc(C(F)(F)F)c1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823363459 606661852 /nfs/dbraw/zinc/66/18/52/606661852.db2.gz FBZDGYLTRZKPPD-UHFFFAOYSA-N -1 3 369.253 3.416 20 0 FGADHM O=C(Nc1cccc(C(F)(F)F)c1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823363459 606661853 /nfs/dbraw/zinc/66/18/53/606661853.db2.gz FBZDGYLTRZKPPD-UHFFFAOYSA-N -1 3 369.253 3.416 20 0 FGADHM Cc1ccc2nc(NC(=O)c3c(F)cc(-c4nnn[n-]4)cc3F)sc2c1 ZINC000822280806 606663850 /nfs/dbraw/zinc/66/38/50/606663850.db2.gz XHCMDGYSYZSDAB-UHFFFAOYSA-N -1 3 372.360 3.315 20 0 FGADHM Cc1ccc2nc(NC(=O)c3c(F)cc(-c4nn[n-]n4)cc3F)sc2c1 ZINC000822280806 606663851 /nfs/dbraw/zinc/66/38/51/606663851.db2.gz XHCMDGYSYZSDAB-UHFFFAOYSA-N -1 3 372.360 3.315 20 0 FGADHM CC1CCC(N(C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)C2CC2)CC1 ZINC000820690064 606669309 /nfs/dbraw/zinc/66/93/09/606669309.db2.gz GCXNLLBNBCWQPK-UHFFFAOYSA-N -1 3 361.396 3.328 20 0 FGADHM CC1CCC(N(C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C2CC2)CC1 ZINC000820690064 606669310 /nfs/dbraw/zinc/66/93/10/606669310.db2.gz GCXNLLBNBCWQPK-UHFFFAOYSA-N -1 3 361.396 3.328 20 0 FGADHM CCN(C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1ccc(C)cc1C ZINC000821154298 606670513 /nfs/dbraw/zinc/67/05/13/606670513.db2.gz LMHUGKGUODDGDC-UHFFFAOYSA-N -1 3 357.364 3.428 20 0 FGADHM CCN(C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccc(C)cc1C ZINC000821154298 606670514 /nfs/dbraw/zinc/67/05/14/606670514.db2.gz LMHUGKGUODDGDC-UHFFFAOYSA-N -1 3 357.364 3.428 20 0 FGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)Cc1cccc(F)c1F ZINC000820152293 606672532 /nfs/dbraw/zinc/67/25/32/606672532.db2.gz XAWGJTFJJFMHPZ-UHFFFAOYSA-N -1 3 373.363 3.113 20 0 FGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)Cc1cccc(F)c1F ZINC000820152293 606672533 /nfs/dbraw/zinc/67/25/33/606672533.db2.gz XAWGJTFJJFMHPZ-UHFFFAOYSA-N -1 3 373.363 3.113 20 0 FGADHM O=C(C[C@H]1CCCCO1)Nc1sc(-c2ccccc2)cc1-c1nnn[n-]1 ZINC000822941072 606673203 /nfs/dbraw/zinc/67/32/03/606673203.db2.gz PCJBGJJYZNUFJA-CYBMUJFWSA-N -1 3 369.450 3.493 20 0 FGADHM O=C(C[C@H]1CCCCO1)Nc1sc(-c2ccccc2)cc1-c1nn[n-]n1 ZINC000822941072 606673204 /nfs/dbraw/zinc/67/32/04/606673204.db2.gz PCJBGJJYZNUFJA-CYBMUJFWSA-N -1 3 369.450 3.493 20 0 FGADHM CSCc1ccc(NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1 ZINC000821969839 606676848 /nfs/dbraw/zinc/67/68/48/606676848.db2.gz FWBHWLMLCASLNM-UHFFFAOYSA-N -1 3 361.377 3.260 20 0 FGADHM CSCc1ccc(NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1 ZINC000821969839 606676849 /nfs/dbraw/zinc/67/68/49/606676849.db2.gz FWBHWLMLCASLNM-UHFFFAOYSA-N -1 3 361.377 3.260 20 0 FGADHM CC[C@@H](C)c1ccc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000820882433 606678169 /nfs/dbraw/zinc/67/81/69/606678169.db2.gz RLJBNFAGBNBAMI-GFCCVEGCSA-N -1 3 353.401 3.449 20 0 FGADHM CC[C@@H](C)c1ccc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000820882433 606678170 /nfs/dbraw/zinc/67/81/70/606678170.db2.gz RLJBNFAGBNBAMI-GFCCVEGCSA-N -1 3 353.401 3.449 20 0 FGADHM C[C@@]1(C(=O)Oc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)CCCO1 ZINC000820576975 606684983 /nfs/dbraw/zinc/68/49/83/606684983.db2.gz FNMSYOWUBUJUTA-IBGZPJMESA-N -1 3 366.377 3.134 20 0 FGADHM C[C@@]1(C(=O)Oc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)CCCO1 ZINC000820576975 606684984 /nfs/dbraw/zinc/68/49/84/606684984.db2.gz FNMSYOWUBUJUTA-IBGZPJMESA-N -1 3 366.377 3.134 20 0 FGADHM C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820643444 606686491 /nfs/dbraw/zinc/68/64/91/606686491.db2.gz WRSAPSPEBOCYSE-BXUZGUMPSA-N -1 3 369.375 3.163 20 0 FGADHM C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820643444 606686492 /nfs/dbraw/zinc/68/64/92/606686492.db2.gz WRSAPSPEBOCYSE-BXUZGUMPSA-N -1 3 369.375 3.163 20 0 FGADHM COc1cc(C)c(C(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1OC ZINC000821708624 606747599 /nfs/dbraw/zinc/74/75/99/606747599.db2.gz UNGNOXJJIKUUFC-GFCCVEGCSA-N -1 3 368.393 3.110 20 0 FGADHM COc1cc(C)c(C(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1OC ZINC000821708624 606747601 /nfs/dbraw/zinc/74/76/01/606747601.db2.gz UNGNOXJJIKUUFC-GFCCVEGCSA-N -1 3 368.393 3.110 20 0 FGADHM COc1cc(C)c(C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1OC ZINC000821708625 606747760 /nfs/dbraw/zinc/74/77/60/606747760.db2.gz UNGNOXJJIKUUFC-LBPRGKRZSA-N -1 3 368.393 3.110 20 0 FGADHM COc1cc(C)c(C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1OC ZINC000821708625 606747763 /nfs/dbraw/zinc/74/77/63/606747763.db2.gz UNGNOXJJIKUUFC-LBPRGKRZSA-N -1 3 368.393 3.110 20 0 FGADHM O=C(NC1(C2CC2)CC1)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000823140766 606749317 /nfs/dbraw/zinc/74/93/17/606749317.db2.gz ZUTBUBUYZNKKKO-UHFFFAOYSA-N -1 3 361.405 3.331 20 0 FGADHM O=C(NC1(C2CC2)CC1)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000823140766 606749319 /nfs/dbraw/zinc/74/93/19/606749319.db2.gz ZUTBUBUYZNKKKO-UHFFFAOYSA-N -1 3 361.405 3.331 20 0 FGADHM Cc1cc(C(=O)COC(=O)c2cccc(-c3nnn[n-]3)c2)c(Cl)cc1F ZINC000822167837 606758658 /nfs/dbraw/zinc/75/86/58/606758658.db2.gz JCJHUPIBIOPNTB-UHFFFAOYSA-N -1 3 374.759 3.007 20 0 FGADHM Cc1cc(C(=O)COC(=O)c2cccc(-c3nn[n-]n3)c2)c(Cl)cc1F ZINC000822167837 606758660 /nfs/dbraw/zinc/75/86/60/606758660.db2.gz JCJHUPIBIOPNTB-UHFFFAOYSA-N -1 3 374.759 3.007 20 0 FGADHM CC(C)CC[C@@H]1CCCCN1C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000820072930 606769803 /nfs/dbraw/zinc/76/98/03/606769803.db2.gz NRHRZCNMLXDINW-KRWDZBQOSA-N -1 3 356.474 3.367 20 0 FGADHM CC(C)CC[C@@H]1CCCCN1C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000820072930 606769804 /nfs/dbraw/zinc/76/98/04/606769804.db2.gz NRHRZCNMLXDINW-KRWDZBQOSA-N -1 3 356.474 3.367 20 0 FGADHM CC(C)CC[C@H]1CCCCN1C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000820072931 606769809 /nfs/dbraw/zinc/76/98/09/606769809.db2.gz NRHRZCNMLXDINW-QGZVFWFLSA-N -1 3 356.474 3.367 20 0 FGADHM CC(C)CC[C@H]1CCCCN1C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000820072931 606769810 /nfs/dbraw/zinc/76/98/10/606769810.db2.gz NRHRZCNMLXDINW-QGZVFWFLSA-N -1 3 356.474 3.367 20 0 FGADHM COc1c(F)cc(F)cc1NC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821698639 606772098 /nfs/dbraw/zinc/77/20/98/606772098.db2.gz SHBMCBBFJOXGPY-SECBINFHSA-N -1 3 374.351 3.036 20 0 FGADHM COc1c(F)cc(F)cc1NC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821698639 606772099 /nfs/dbraw/zinc/77/20/99/606772099.db2.gz SHBMCBBFJOXGPY-SECBINFHSA-N -1 3 374.351 3.036 20 0 FGADHM CCc1oc(C(=O)OC)cc1COc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821564184 606782094 /nfs/dbraw/zinc/78/20/94/606782094.db2.gz WGXDJZRCSINJHV-UHFFFAOYSA-N -1 3 362.773 3.041 20 0 FGADHM CCc1oc(C(=O)OC)cc1COc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821564184 606782096 /nfs/dbraw/zinc/78/20/96/606782096.db2.gz WGXDJZRCSINJHV-UHFFFAOYSA-N -1 3 362.773 3.041 20 0 FGADHM Cc1ccc(C)c(NC(=O)COc2cc(Cl)ccc2-c2nnn[n-]2)c1 ZINC000822231959 606783514 /nfs/dbraw/zinc/78/35/14/606783514.db2.gz OGVXGLQNOMEXML-UHFFFAOYSA-N -1 3 357.801 3.154 20 0 FGADHM Cc1ccc(C)c(NC(=O)COc2cc(Cl)ccc2-c2nn[n-]n2)c1 ZINC000822231959 606783516 /nfs/dbraw/zinc/78/35/16/606783516.db2.gz OGVXGLQNOMEXML-UHFFFAOYSA-N -1 3 357.801 3.154 20 0 FGADHM Cc1ccc(Cl)c(NC(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822240081 606807651 /nfs/dbraw/zinc/80/76/51/606807651.db2.gz RKMZSATUZXEJAR-LLVKDONJSA-N -1 3 357.801 3.235 20 0 FGADHM Cl/C=C(/Cl)COc1ccc(Br)cc1-c1nnn[n-]1 ZINC000822562517 606839929 /nfs/dbraw/zinc/83/99/29/606839929.db2.gz ACOHQCCEGBRXKZ-QPJJXVBHSA-N -1 3 350.003 3.327 20 0 FGADHM Cl/C=C(/Cl)COc1ccc(Br)cc1-c1nn[n-]n1 ZINC000822562517 606839930 /nfs/dbraw/zinc/83/99/30/606839930.db2.gz ACOHQCCEGBRXKZ-QPJJXVBHSA-N -1 3 350.003 3.327 20 0 FGADHM CCCCc1nc2ccccc2n1C[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821081895 606844526 /nfs/dbraw/zinc/84/45/26/606844526.db2.gz DLIMHCJZUKTKPU-GOSISDBHSA-N -1 3 362.437 3.293 20 0 FGADHM CCCCc1nc2ccccc2n1C[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821081895 606844528 /nfs/dbraw/zinc/84/45/28/606844528.db2.gz DLIMHCJZUKTKPU-GOSISDBHSA-N -1 3 362.437 3.293 20 0 FGADHM CC(=O)Nc1nc(CSc2ccc(-c3nnn[n-]3)cc2Cl)cs1 ZINC000819826180 606850778 /nfs/dbraw/zinc/85/07/78/606850778.db2.gz FSDRRDHQGGYPBA-UHFFFAOYSA-N -1 3 366.859 3.227 20 0 FGADHM CC(=O)Nc1nc(CSc2ccc(-c3nn[n-]n3)cc2Cl)cs1 ZINC000819826180 606850780 /nfs/dbraw/zinc/85/07/80/606850780.db2.gz FSDRRDHQGGYPBA-UHFFFAOYSA-N -1 3 366.859 3.227 20 0 FGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1Cl)N1CCCCCC1 ZINC000823066261 606851966 /nfs/dbraw/zinc/85/19/66/606851966.db2.gz RXOXSESPKQFNCT-UHFFFAOYSA-N -1 3 351.863 3.015 20 0 FGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1Cl)N1CCCCCC1 ZINC000823066261 606851968 /nfs/dbraw/zinc/85/19/68/606851968.db2.gz RXOXSESPKQFNCT-UHFFFAOYSA-N -1 3 351.863 3.015 20 0 FGADHM O=C(COC/C=C\c1ccccc1)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000823032138 606853506 /nfs/dbraw/zinc/85/35/06/606853506.db2.gz OLARWWDICYDXER-DAXSKMNVSA-N -1 3 369.812 3.189 20 0 FGADHM O=C(COC/C=C\c1ccccc1)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000823032138 606853508 /nfs/dbraw/zinc/85/35/08/606853508.db2.gz OLARWWDICYDXER-DAXSKMNVSA-N -1 3 369.812 3.189 20 0 FGADHM CN(C)C(=O)[C@H](Sc1ccc(-c2nnn[n-]2)cc1Cl)c1ccccc1 ZINC000821574800 606853883 /nfs/dbraw/zinc/85/38/83/606853883.db2.gz XRNVQTXXMZIOBW-OAHLLOKOSA-N -1 3 373.869 3.442 20 0 FGADHM CN(C)C(=O)[C@H](Sc1ccc(-c2nn[n-]n2)cc1Cl)c1ccccc1 ZINC000821574800 606853885 /nfs/dbraw/zinc/85/38/85/606853885.db2.gz XRNVQTXXMZIOBW-OAHLLOKOSA-N -1 3 373.869 3.442 20 0 FGADHM C[C@@H](NC(=O)c1cncc(-c2ccccc2)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820402372 606867217 /nfs/dbraw/zinc/86/72/17/606867217.db2.gz DBUWJTHOBYYAKN-CQSZACIVSA-N -1 3 370.416 3.420 20 0 FGADHM C[C@@H](NC(=O)c1cncc(-c2ccccc2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820402372 606867219 /nfs/dbraw/zinc/86/72/19/606867219.db2.gz DBUWJTHOBYYAKN-CQSZACIVSA-N -1 3 370.416 3.420 20 0 FGADHM C[C@@H]1CC[C@@H](C(=O)Nc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)O1 ZINC000820676846 606871562 /nfs/dbraw/zinc/87/15/62/606871562.db2.gz ONDRKKPSKUNMCL-PXAZEXFGSA-N -1 3 365.393 3.165 20 0 FGADHM C[C@@H]1CC[C@@H](C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)O1 ZINC000820676846 606871564 /nfs/dbraw/zinc/87/15/64/606871564.db2.gz ONDRKKPSKUNMCL-PXAZEXFGSA-N -1 3 365.393 3.165 20 0 FGADHM CN(C(=O)c1cccc(OC(F)(F)F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000821574587 606872248 /nfs/dbraw/zinc/87/22/48/606872248.db2.gz NHHDXRNYTAYXKZ-UHFFFAOYSA-N -1 3 363.299 3.042 20 0 FGADHM CN(C(=O)c1cccc(OC(F)(F)F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000821574587 606872249 /nfs/dbraw/zinc/87/22/49/606872249.db2.gz NHHDXRNYTAYXKZ-UHFFFAOYSA-N -1 3 363.299 3.042 20 0 FGADHM C[C@H]1CC[C@H](C)N1C(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000820683979 606878673 /nfs/dbraw/zinc/87/86/73/606878673.db2.gz KMCDOIUOHQFJDZ-STQMWFEESA-N -1 3 367.409 3.052 20 0 FGADHM C[C@H]1CC[C@H](C)N1C(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000820683979 606878674 /nfs/dbraw/zinc/87/86/74/606878674.db2.gz KMCDOIUOHQFJDZ-STQMWFEESA-N -1 3 367.409 3.052 20 0 FGADHM C[C@@H]1CC[C@@H](C)N1C(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000820683978 606878802 /nfs/dbraw/zinc/87/88/02/606878802.db2.gz KMCDOIUOHQFJDZ-CHWSQXEVSA-N -1 3 367.409 3.052 20 0 FGADHM C[C@@H]1CC[C@@H](C)N1C(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000820683978 606878804 /nfs/dbraw/zinc/87/88/04/606878804.db2.gz KMCDOIUOHQFJDZ-CHWSQXEVSA-N -1 3 367.409 3.052 20 0 FGADHM C[C@]1(COC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)CCCO1 ZINC000820623232 606898815 /nfs/dbraw/zinc/89/88/15/606898815.db2.gz JBWBMZRJSOLNHX-HXUWFJFHSA-N -1 3 364.405 3.260 20 0 FGADHM C[C@]1(COC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)CCCO1 ZINC000820623232 606898817 /nfs/dbraw/zinc/89/88/17/606898817.db2.gz JBWBMZRJSOLNHX-HXUWFJFHSA-N -1 3 364.405 3.260 20 0 FGADHM O=C1OC(c2ccc(-c3nnn[n-]3)cc2)=NC1=Cc1cc2ccccc2s1 ZINC000823546205 606916266 /nfs/dbraw/zinc/91/62/66/606916266.db2.gz AMWFRIDSWKKIFY-XNTDXEJSSA-N -1 3 373.397 3.426 20 0 FGADHM O=C1OC(c2ccc(-c3nn[n-]n3)cc2)=NC1=Cc1cc2ccccc2s1 ZINC000823546205 606916267 /nfs/dbraw/zinc/91/62/67/606916267.db2.gz AMWFRIDSWKKIFY-XNTDXEJSSA-N -1 3 373.397 3.426 20 0 FGADHM COc1ccc(CNc2cc(C3CCCCC3)nn2C)cc1-c1nnn[n-]1 ZINC000821821283 606923350 /nfs/dbraw/zinc/92/33/50/606923350.db2.gz DFTXOHAMBHTYPC-UHFFFAOYSA-N -1 3 367.457 3.269 20 0 FGADHM COc1ccc(CNc2cc(C3CCCCC3)nn2C)cc1-c1nn[n-]n1 ZINC000821821283 606923352 /nfs/dbraw/zinc/92/33/52/606923352.db2.gz DFTXOHAMBHTYPC-UHFFFAOYSA-N -1 3 367.457 3.269 20 0 FGADHM O[C@H](CN(c1ccccc1F)C1CCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823675204 606929016 /nfs/dbraw/zinc/92/90/16/606929016.db2.gz VLABNBNCBDVFRT-LJQANCHMSA-N -1 3 367.428 3.488 20 0 FGADHM O[C@H](CN(c1ccccc1F)C1CCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823675204 606929018 /nfs/dbraw/zinc/92/90/18/606929018.db2.gz VLABNBNCBDVFRT-LJQANCHMSA-N -1 3 367.428 3.488 20 0 FGADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1F)c1cccc(Cl)c1F ZINC000823422545 606954946 /nfs/dbraw/zinc/95/49/46/606954946.db2.gz VVSIOAXLAPTOLN-UHFFFAOYSA-N -1 3 350.712 3.155 20 0 FGADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1F)c1cccc(Cl)c1F ZINC000823422545 606954948 /nfs/dbraw/zinc/95/49/48/606954948.db2.gz VVSIOAXLAPTOLN-UHFFFAOYSA-N -1 3 350.712 3.155 20 0 FGADHM CC[C@]1(C)CCN(C(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)C1 ZINC000820949556 606957088 /nfs/dbraw/zinc/95/70/88/606957088.db2.gz CJGQOGLDRPWMFS-LJQANCHMSA-N -1 3 357.458 3.064 20 0 FGADHM CC[C@]1(C)CCN(C(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)C1 ZINC000820949556 606957090 /nfs/dbraw/zinc/95/70/90/606957090.db2.gz CJGQOGLDRPWMFS-LJQANCHMSA-N -1 3 357.458 3.064 20 0 FGADHM CN(C(=O)[C@H]1CSc2ccccc21)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821569226 606960513 /nfs/dbraw/zinc/96/05/13/606960513.db2.gz CDCGFIPBDHEBPF-ZDUSSCGKSA-N -1 3 371.853 3.372 20 0 FGADHM CN(C(=O)[C@H]1CSc2ccccc21)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821569226 606960515 /nfs/dbraw/zinc/96/05/15/606960515.db2.gz CDCGFIPBDHEBPF-ZDUSSCGKSA-N -1 3 371.853 3.372 20 0 FGADHM CC(C)C[C@@H](C)OCCC(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000820055660 606962189 /nfs/dbraw/zinc/96/21/89/606962189.db2.gz JLGVZWKSXSOYAG-GFCCVEGCSA-N -1 3 365.865 3.324 20 0 FGADHM CC(C)C[C@@H](C)OCCC(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000820055660 606962191 /nfs/dbraw/zinc/96/21/91/606962191.db2.gz JLGVZWKSXSOYAG-GFCCVEGCSA-N -1 3 365.865 3.324 20 0 FGADHM CC1(C)CO[C@@H](c2ccccc2)CN1Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820606927 606967694 /nfs/dbraw/zinc/96/76/94/606967694.db2.gz FYNQYOXRABWKEO-GOSISDBHSA-N -1 3 367.428 3.358 20 0 FGADHM CC1(C)CO[C@@H](c2ccccc2)CN1Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820606927 606967695 /nfs/dbraw/zinc/96/76/95/606967695.db2.gz FYNQYOXRABWKEO-GOSISDBHSA-N -1 3 367.428 3.358 20 0 FGADHM CN(C(=O)c1ccc(-c2ccccc2)n1C)c1ccccc1-c1nnn[n-]1 ZINC000821573335 606971989 /nfs/dbraw/zinc/97/19/89/606971989.db2.gz LNVHRFGTDITGQB-UHFFFAOYSA-N -1 3 358.405 3.149 20 0 FGADHM CN(C(=O)c1ccc(-c2ccccc2)n1C)c1ccccc1-c1nn[n-]n1 ZINC000821573335 606971991 /nfs/dbraw/zinc/97/19/91/606971991.db2.gz LNVHRFGTDITGQB-UHFFFAOYSA-N -1 3 358.405 3.149 20 0 FGADHM CCn1c(SCc2cccc(-c3nnn[n-]3)c2)nnc1-c1ccco1 ZINC000821565126 606975380 /nfs/dbraw/zinc/97/53/80/606975380.db2.gz FDTXESSIDLPSTM-UHFFFAOYSA-N -1 3 353.411 3.030 20 0 FGADHM CCn1c(SCc2cccc(-c3nn[n-]n3)c2)nnc1-c1ccco1 ZINC000821565126 606975382 /nfs/dbraw/zinc/97/53/82/606975382.db2.gz FDTXESSIDLPSTM-UHFFFAOYSA-N -1 3 353.411 3.030 20 0 FGADHM CCS[C@@H](C)c1noc(CSCc2cccc(-c3nnn[n-]3)c2)n1 ZINC000821446698 606988960 /nfs/dbraw/zinc/98/89/60/606988960.db2.gz CSTMXLHDXCKITN-JTQLQIEISA-N -1 3 362.484 3.497 20 0 FGADHM CCS[C@@H](C)c1noc(CSCc2cccc(-c3nn[n-]n3)c2)n1 ZINC000821446698 606988961 /nfs/dbraw/zinc/98/89/61/606988961.db2.gz CSTMXLHDXCKITN-JTQLQIEISA-N -1 3 362.484 3.497 20 0 FGADHM CN(CC1CCCCC1)C(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000821596852 606990430 /nfs/dbraw/zinc/99/04/30/606990430.db2.gz WVGGDQPWQMJNHT-UHFFFAOYSA-N -1 3 357.458 3.063 20 0 FGADHM CN(CC1CCCCC1)C(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000821596852 606990432 /nfs/dbraw/zinc/99/04/32/606990432.db2.gz WVGGDQPWQMJNHT-UHFFFAOYSA-N -1 3 357.458 3.063 20 0 FGADHM C[C@H](Cc1cccc(F)c1)C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820299857 606996790 /nfs/dbraw/zinc/99/67/90/606996790.db2.gz LPGNPFTYOQZMKU-LLVKDONJSA-N -1 3 358.348 3.067 20 0 FGADHM C[C@H](Cc1cccc(F)c1)C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820299857 606996792 /nfs/dbraw/zinc/99/67/92/606996792.db2.gz LPGNPFTYOQZMKU-LLVKDONJSA-N -1 3 358.348 3.067 20 0 FGADHM Cc1ccc(N2CC[C@H](Sc3cccc(-c4nnn[n-]4)c3)C2=O)cc1 ZINC000822241245 607015842 /nfs/dbraw/zinc/01/58/42/607015842.db2.gz PGJTVMHLHHVTFT-INIZCTEOSA-N -1 3 351.435 3.073 20 0 FGADHM Cc1ccc(N2CC[C@H](Sc3cccc(-c4nn[n-]n4)c3)C2=O)cc1 ZINC000822241245 607015843 /nfs/dbraw/zinc/01/58/43/607015843.db2.gz PGJTVMHLHHVTFT-INIZCTEOSA-N -1 3 351.435 3.073 20 0 FGADHM Cc1ccccc1C[C@@H](C)NC(=O)CSc1cccc(-c2nnn[n-]2)c1 ZINC000822356801 607017642 /nfs/dbraw/zinc/01/76/42/607017642.db2.gz ZDJVKIDBLBXVRR-CQSZACIVSA-N -1 3 367.478 3.015 20 0 FGADHM Cc1ccccc1C[C@@H](C)NC(=O)CSc1cccc(-c2nn[n-]n2)c1 ZINC000822356801 607017643 /nfs/dbraw/zinc/01/76/43/607017643.db2.gz ZDJVKIDBLBXVRR-CQSZACIVSA-N -1 3 367.478 3.015 20 0 FGADHM CCOc1ccc(C(C)=O)cc1COc1cc(-c2nnn[n-]2)ccc1C ZINC000821417631 607028910 /nfs/dbraw/zinc/02/89/10/607028910.db2.gz QEGKYOIYRLQHEA-UHFFFAOYSA-N -1 3 352.394 3.355 20 0 FGADHM CCOc1ccc(C(C)=O)cc1COc1cc(-c2nn[n-]n2)ccc1C ZINC000821417631 607028912 /nfs/dbraw/zinc/02/89/12/607028912.db2.gz QEGKYOIYRLQHEA-UHFFFAOYSA-N -1 3 352.394 3.355 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1OCC(=O)Nc1ccc(Cl)cc1C ZINC000822201987 607029108 /nfs/dbraw/zinc/02/91/08/607029108.db2.gz FQGWLMYWRSIPOJ-UHFFFAOYSA-N -1 3 357.801 3.154 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1OCC(=O)Nc1ccc(Cl)cc1C ZINC000822201987 607029109 /nfs/dbraw/zinc/02/91/09/607029109.db2.gz FQGWLMYWRSIPOJ-UHFFFAOYSA-N -1 3 357.801 3.154 20 0 FGADHM COc1ccc(OCCSCc2cc(F)ccc2-c2nnn[n-]2)cc1 ZINC000821846152 607033020 /nfs/dbraw/zinc/03/30/20/607033020.db2.gz NRPMOJXZUFNSNC-UHFFFAOYSA-N -1 3 360.414 3.327 20 0 FGADHM COc1ccc(OCCSCc2cc(F)ccc2-c2nn[n-]n2)cc1 ZINC000821846152 607033022 /nfs/dbraw/zinc/03/30/22/607033022.db2.gz NRPMOJXZUFNSNC-UHFFFAOYSA-N -1 3 360.414 3.327 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc(Cl)c(C)c1 ZINC000821411927 607033430 /nfs/dbraw/zinc/03/34/30/607033430.db2.gz DZIKKYGFQNVSHN-UHFFFAOYSA-N -1 3 357.801 3.480 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(Cl)c(C)c1 ZINC000821411927 607033432 /nfs/dbraw/zinc/03/34/32/607033432.db2.gz DZIKKYGFQNVSHN-UHFFFAOYSA-N -1 3 357.801 3.480 20 0 FGADHM O[C@@H](C[C@@H]1CCCCCN1c1cccc(F)c1-c1nnn[n-]1)c1ccco1 ZINC000823672102 607047938 /nfs/dbraw/zinc/04/79/38/607047938.db2.gz AMLPWTIPAUEGQD-BBRMVZONSA-N -1 3 371.416 3.472 20 0 FGADHM O[C@@H](C[C@@H]1CCCCCN1c1cccc(F)c1-c1nn[n-]n1)c1ccco1 ZINC000823672102 607047939 /nfs/dbraw/zinc/04/79/39/607047939.db2.gz AMLPWTIPAUEGQD-BBRMVZONSA-N -1 3 371.416 3.472 20 0 FGADHM CCC(CC)(CC)CNC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000820882748 607048967 /nfs/dbraw/zinc/04/89/67/607048967.db2.gz ZHZIOHQLQIRHLZ-UHFFFAOYSA-N -1 3 361.515 3.433 20 0 FGADHM CCC(CC)(CC)CNC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000820882748 607048969 /nfs/dbraw/zinc/04/89/69/607048969.db2.gz ZHZIOHQLQIRHLZ-UHFFFAOYSA-N -1 3 361.515 3.433 20 0 FGADHM CC(C)C[C@H]1CCCN(C(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820068156 607053322 /nfs/dbraw/zinc/05/33/22/607053322.db2.gz OKLUCTWQZSDDCW-HUUCEWRRSA-N -1 3 356.474 3.395 20 0 FGADHM CC(C)C[C@H]1CCCN(C(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820068156 607053323 /nfs/dbraw/zinc/05/33/23/607053323.db2.gz OKLUCTWQZSDDCW-HUUCEWRRSA-N -1 3 356.474 3.395 20 0 FGADHM C[C@@H](OC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1 ZINC000820481746 607083015 /nfs/dbraw/zinc/08/30/15/607083015.db2.gz ZQCNUMRMLJBPQS-GFCCVEGCSA-N -1 3 370.384 3.468 20 0 FGADHM C[C@@H](OC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1 ZINC000820481746 607083016 /nfs/dbraw/zinc/08/30/16/607083016.db2.gz ZQCNUMRMLJBPQS-GFCCVEGCSA-N -1 3 370.384 3.468 20 0 FGADHM COc1cccc([C@H](C)CC(=O)OCc2cc(F)ccc2-c2nnn[n-]2)c1 ZINC000821860241 607085821 /nfs/dbraw/zinc/08/58/21/607085821.db2.gz ZDDCNRHFIUJDDG-GFCCVEGCSA-N -1 3 370.384 3.251 20 0 FGADHM COc1cccc([C@H](C)CC(=O)OCc2cc(F)ccc2-c2nn[n-]n2)c1 ZINC000821860241 607085823 /nfs/dbraw/zinc/08/58/23/607085823.db2.gz ZDDCNRHFIUJDDG-GFCCVEGCSA-N -1 3 370.384 3.251 20 0 FGADHM CC(C)(C)SCCOC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000819951574 607089427 /nfs/dbraw/zinc/08/94/27/607089427.db2.gz TWGFITFFPKJIES-UHFFFAOYSA-N -1 3 364.471 3.099 20 0 FGADHM CC(C)(C)SCCOC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000819951574 607089428 /nfs/dbraw/zinc/08/94/28/607089428.db2.gz TWGFITFFPKJIES-UHFFFAOYSA-N -1 3 364.471 3.099 20 0 FGADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)Cc1c(F)cccc1Cl ZINC000821304848 607099962 /nfs/dbraw/zinc/09/99/62/607099962.db2.gz SBZBZXUHISZASK-UHFFFAOYSA-N -1 3 374.807 3.272 20 0 FGADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H](C)Cc1ccccc1F ZINC000821292412 607100177 /nfs/dbraw/zinc/10/01/77/607100177.db2.gz AROPFONHZLZKSL-GFCCVEGCSA-N -1 3 368.416 3.255 20 0 FGADHM O=C(Nc1ccc(F)nc1)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000823346921 607100531 /nfs/dbraw/zinc/10/05/31/607100531.db2.gz TWOKIKMWIBULEA-UHFFFAOYSA-N -1 3 360.352 3.320 20 0 FGADHM O=C(Nc1ccc(F)nc1)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000823346921 607100532 /nfs/dbraw/zinc/10/05/32/607100532.db2.gz TWOKIKMWIBULEA-UHFFFAOYSA-N -1 3 360.352 3.320 20 0 FGADHM Cc1cc(Cl)ncc1NC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000822202325 607101786 /nfs/dbraw/zinc/10/17/86/607101786.db2.gz VPWCYTOZHWUVIJ-UHFFFAOYSA-N -1 3 372.816 3.020 20 0 FGADHM Cc1cc(Cl)ncc1NC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000822202325 607101787 /nfs/dbraw/zinc/10/17/87/607101787.db2.gz VPWCYTOZHWUVIJ-UHFFFAOYSA-N -1 3 372.816 3.020 20 0 FGADHM O=C(Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1)[C@H]1CC12CCC2 ZINC000823350141 607121531 /nfs/dbraw/zinc/12/15/31/607121531.db2.gz AMDVOPKRNDRBAM-OAHLLOKOSA-N -1 3 362.393 3.183 20 0 FGADHM O=C1OC(c2ccc(-c3nnn[n-]3)cc2)=NC1=Cc1ccc(F)cc1Cl ZINC000823546386 607121664 /nfs/dbraw/zinc/12/16/64/607121664.db2.gz CAPYCHVFOSJRMS-AUWJEWJLSA-N -1 3 369.743 3.004 20 0 FGADHM O=C1OC(c2ccc(-c3nn[n-]n3)cc2)=NC1=Cc1ccc(F)cc1Cl ZINC000823546386 607121666 /nfs/dbraw/zinc/12/16/66/607121666.db2.gz CAPYCHVFOSJRMS-AUWJEWJLSA-N -1 3 369.743 3.004 20 0 FGADHM CCCC1(CNC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)CC1 ZINC000821034927 607135734 /nfs/dbraw/zinc/13/57/34/607135734.db2.gz WQPZGTPWGBFFLV-UHFFFAOYSA-N -1 3 366.372 3.170 20 0 FGADHM CCCC1(CNC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)CC1 ZINC000821034927 607135735 /nfs/dbraw/zinc/13/57/35/607135735.db2.gz WQPZGTPWGBFFLV-UHFFFAOYSA-N -1 3 366.372 3.170 20 0 FGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N[C@H]1CCCC(F)(F)C1 ZINC000819976009 607140729 /nfs/dbraw/zinc/14/07/29/607140729.db2.gz HSODGSNWQNFMDG-NSHDSACASA-N -1 3 367.404 3.123 20 0 FGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N[C@H]1CCCC(F)(F)C1 ZINC000819976009 607140731 /nfs/dbraw/zinc/14/07/31/607140731.db2.gz HSODGSNWQNFMDG-NSHDSACASA-N -1 3 367.404 3.123 20 0 FGADHM O=C(Nc1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1)[C@H]1CC12CCC2 ZINC000823375881 607142914 /nfs/dbraw/zinc/14/29/14/607142914.db2.gz NWMMKFMFHQAOKH-GFCCVEGCSA-N -1 3 352.423 3.119 20 0 FGADHM O=C(Nc1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1)[C@H]1CC12CCC2 ZINC000823375881 607142916 /nfs/dbraw/zinc/14/29/16/607142916.db2.gz NWMMKFMFHQAOKH-GFCCVEGCSA-N -1 3 352.423 3.119 20 0 FGADHM C[C@@H](NC(=O)Cc1ccc(F)cc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000820335143 607145213 /nfs/dbraw/zinc/14/52/13/607145213.db2.gz UHBLJMLYHTXPPK-SNVBAGLBSA-N -1 3 359.792 3.079 20 0 FGADHM C[C@@H](NC(=O)Cc1ccc(F)cc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000820335143 607145215 /nfs/dbraw/zinc/14/52/15/607145215.db2.gz UHBLJMLYHTXPPK-SNVBAGLBSA-N -1 3 359.792 3.079 20 0 FGADHM O=C(Cc1ccc(F)cc1Cl)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000823082394 607155487 /nfs/dbraw/zinc/15/54/87/607155487.db2.gz GZLJQKSVPNYRSR-UHFFFAOYSA-N -1 3 364.739 3.084 20 0 FGADHM O=C(Cc1ccc(F)cc1Cl)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000823082394 607155489 /nfs/dbraw/zinc/15/54/89/607155489.db2.gz GZLJQKSVPNYRSR-UHFFFAOYSA-N -1 3 364.739 3.084 20 0 FGADHM O=C(Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1)c1cc[nH]c(=O)c1 ZINC000823356073 607158929 /nfs/dbraw/zinc/15/89/29/607158929.db2.gz JTKIENLKVXGRSI-UHFFFAOYSA-N -1 3 374.360 3.012 20 0 FGADHM O=C(Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1)c1cc[nH]c(=O)c1 ZINC000823356073 607158931 /nfs/dbraw/zinc/15/89/31/607158931.db2.gz JTKIENLKVXGRSI-UHFFFAOYSA-N -1 3 374.360 3.012 20 0 FGADHM CCCCC[C@@H]1CCCN1C(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000821050737 607164996 /nfs/dbraw/zinc/16/49/96/607164996.db2.gz TXMKHJVUDZWTEC-GOEBONIOSA-N -1 3 357.458 3.205 20 0 FGADHM Cc1c(F)cccc1NC(=O)CCSc1ccccc1-c1nnn[n-]1 ZINC000822035505 607169925 /nfs/dbraw/zinc/16/99/25/607169925.db2.gz VXZJKUYFODYJEI-UHFFFAOYSA-N -1 3 357.414 3.435 20 0 FGADHM Cc1c(F)cccc1NC(=O)CCSc1ccccc1-c1nn[n-]n1 ZINC000822035505 607169926 /nfs/dbraw/zinc/16/99/26/607169926.db2.gz VXZJKUYFODYJEI-UHFFFAOYSA-N -1 3 357.414 3.435 20 0 FGADHM CC(C)Oc1ccccc1CC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820178188 607188848 /nfs/dbraw/zinc/18/88/48/607188848.db2.gz KAEFZCSVEYIQBT-UHFFFAOYSA-N -1 3 371.828 3.489 20 0 FGADHM CC(C)Oc1ccccc1CC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820178188 607188849 /nfs/dbraw/zinc/18/88/49/607188849.db2.gz KAEFZCSVEYIQBT-UHFFFAOYSA-N -1 3 371.828 3.489 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cc(CC)c(CC)o1 ZINC000821412840 607192322 /nfs/dbraw/zinc/19/23/22/607192322.db2.gz RZTHEPWSRCMHDB-UHFFFAOYSA-N -1 3 355.398 3.236 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(CC)c(CC)o1 ZINC000821412840 607192323 /nfs/dbraw/zinc/19/23/23/607192323.db2.gz RZTHEPWSRCMHDB-UHFFFAOYSA-N -1 3 355.398 3.236 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N[C@H]1C[C@H]1c1ccccc1 ZINC000823318348 607196128 /nfs/dbraw/zinc/19/61/28/607196128.db2.gz CSCSJCUVHIRMRI-WFASDCNBSA-N -1 3 354.801 3.198 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N[C@H]1C[C@H]1c1ccccc1 ZINC000823318348 607196129 /nfs/dbraw/zinc/19/61/29/607196129.db2.gz CSCSJCUVHIRMRI-WFASDCNBSA-N -1 3 354.801 3.198 20 0 FGADHM O=C(NCC1(c2ccccc2)CC1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823171629 607198594 /nfs/dbraw/zinc/19/85/94/607198594.db2.gz YJFIFKLXPHMDSD-UHFFFAOYSA-N -1 3 368.828 3.373 20 0 FGADHM O=C(NCC1(c2ccccc2)CC1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823171629 607198595 /nfs/dbraw/zinc/19/85/95/607198595.db2.gz YJFIFKLXPHMDSD-UHFFFAOYSA-N -1 3 368.828 3.373 20 0 FGADHM CCO[C@H](CCNC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)C(C)C ZINC000821350709 607199961 /nfs/dbraw/zinc/19/99/61/607199961.db2.gz BRFSSVUXPPHAPC-CQSZACIVSA-N -1 3 366.853 3.093 20 0 FGADHM CCO[C@H](CCNC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)C(C)C ZINC000821350709 607199962 /nfs/dbraw/zinc/19/99/62/607199962.db2.gz BRFSSVUXPPHAPC-CQSZACIVSA-N -1 3 366.853 3.093 20 0 FGADHM Cc1cccc2nc(CNc3cc(-c4nnn[n-]4)ccc3C(F)(F)F)cn21 ZINC000822340770 607228572 /nfs/dbraw/zinc/22/85/72/607228572.db2.gz GSXPPKPAYOORCE-UHFFFAOYSA-N -1 3 373.342 3.454 20 0 FGADHM Cc1cccc2nc(CNc3cc(-c4nn[n-]n4)ccc3C(F)(F)F)cn21 ZINC000822340770 607228573 /nfs/dbraw/zinc/22/85/73/607228573.db2.gz GSXPPKPAYOORCE-UHFFFAOYSA-N -1 3 373.342 3.454 20 0 FGADHM C[C@H](NC(=O)c1ncc(-c2nnn[n-]2)cc1Cl)c1ccc(Cl)s1 ZINC000820404487 607232613 /nfs/dbraw/zinc/23/26/13/607232613.db2.gz WLTYDCVOSGFZKD-LURJTMIESA-N -1 3 369.237 3.121 20 0 FGADHM C[C@H](NC(=O)c1ncc(-c2nn[n-]n2)cc1Cl)c1ccc(Cl)s1 ZINC000820404487 607232614 /nfs/dbraw/zinc/23/26/14/607232614.db2.gz WLTYDCVOSGFZKD-LURJTMIESA-N -1 3 369.237 3.121 20 0 FGADHM CCO[C@@H](C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)c1ccccc1 ZINC000821346155 607241630 /nfs/dbraw/zinc/24/16/30/607241630.db2.gz DFKFEMWFPAGDIY-OAHLLOKOSA-N -1 3 357.801 3.236 20 0 FGADHM CCO[C@@H](C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)c1ccccc1 ZINC000821346155 607241631 /nfs/dbraw/zinc/24/16/31/607241631.db2.gz DFKFEMWFPAGDIY-OAHLLOKOSA-N -1 3 357.801 3.236 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1ccccc1OC(F)F ZINC000823318904 607243402 /nfs/dbraw/zinc/24/34/02/607243402.db2.gz NNMLQJORQWMAHU-UHFFFAOYSA-N -1 3 365.727 3.374 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1ccccc1OC(F)F ZINC000823318904 607243403 /nfs/dbraw/zinc/24/34/03/607243403.db2.gz NNMLQJORQWMAHU-UHFFFAOYSA-N -1 3 365.727 3.374 20 0 FGADHM Cc1ccccc1OCCCC(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000822366782 607244802 /nfs/dbraw/zinc/24/48/02/607244802.db2.gz SJRQLMIWPJRTPB-UHFFFAOYSA-N -1 3 356.357 3.079 20 0 FGADHM Cc1ccccc1OCCCC(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000822366782 607244803 /nfs/dbraw/zinc/24/48/03/607244803.db2.gz SJRQLMIWPJRTPB-UHFFFAOYSA-N -1 3 356.357 3.079 20 0 FGADHM Cc1ccc(-c2nc(C(=O)Oc3ccc(-c4nnn[n-]4)cc3F)cs2)o1 ZINC000822214027 607247974 /nfs/dbraw/zinc/24/79/74/607247974.db2.gz MESJFGXWIQKLCL-UHFFFAOYSA-N -1 3 371.353 3.250 20 0 FGADHM Cc1ccc(-c2nc(C(=O)Oc3ccc(-c4nn[n-]n4)cc3F)cs2)o1 ZINC000822214027 607247975 /nfs/dbraw/zinc/24/79/75/607247975.db2.gz MESJFGXWIQKLCL-UHFFFAOYSA-N -1 3 371.353 3.250 20 0 FGADHM CC[C@@H](CC(=O)Oc1ccc(-c2nnn[n-]2)cc1)c1ccc(OC)cc1 ZINC000825082944 607776516 /nfs/dbraw/zinc/77/65/16/607776516.db2.gz WDFGRASYWFGZLD-ZDUSSCGKSA-N -1 3 352.394 3.365 20 0 FGADHM CC[C@@H](CC(=O)Oc1ccc(-c2nn[n-]n2)cc1)c1ccc(OC)cc1 ZINC000825082944 607776517 /nfs/dbraw/zinc/77/65/17/607776517.db2.gz WDFGRASYWFGZLD-ZDUSSCGKSA-N -1 3 352.394 3.365 20 0 FGADHM CC(C)c1cccc(O[C@@H](C)C(=O)N(C)c2ccccc2-c2nnn[n-]2)c1 ZINC000824739650 607786878 /nfs/dbraw/zinc/78/68/78/607786878.db2.gz YSAFJOWXWHZEAH-AWEZNQCLSA-N -1 3 365.437 3.420 20 0 FGADHM CC(C)c1cccc(O[C@@H](C)C(=O)N(C)c2ccccc2-c2nn[n-]n2)c1 ZINC000824739650 607786879 /nfs/dbraw/zinc/78/68/79/607786879.db2.gz YSAFJOWXWHZEAH-AWEZNQCLSA-N -1 3 365.437 3.420 20 0 FGADHM COCc1c2ccccc2oc1C(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC000826164317 607789237 /nfs/dbraw/zinc/78/92/37/607789237.db2.gz QTJPOZCWSPPLOT-UHFFFAOYSA-N -1 3 363.377 3.036 20 0 FGADHM COCc1c2ccccc2oc1C(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC000826164317 607789238 /nfs/dbraw/zinc/78/92/38/607789238.db2.gz QTJPOZCWSPPLOT-UHFFFAOYSA-N -1 3 363.377 3.036 20 0 FGADHM CN(C(=O)Cc1c[nH]c2ccc(Cl)cc12)c1ccccc1-c1nnn[n-]1 ZINC000825820451 607789864 /nfs/dbraw/zinc/78/98/64/607789864.db2.gz GHFQGPYOAAXQNO-UHFFFAOYSA-N -1 3 366.812 3.207 20 0 FGADHM CN(C(=O)Cc1c[nH]c2ccc(Cl)cc12)c1ccccc1-c1nn[n-]n1 ZINC000825820451 607789865 /nfs/dbraw/zinc/78/98/65/607789865.db2.gz GHFQGPYOAAXQNO-UHFFFAOYSA-N -1 3 366.812 3.207 20 0 FGADHM CN(C(=O)Cn1ccc2ccc(Cl)cc21)c1ccccc1-c1nnn[n-]1 ZINC000825820699 607790794 /nfs/dbraw/zinc/79/07/94/607790794.db2.gz PGMGAZVDDRUIFJ-UHFFFAOYSA-N -1 3 366.812 3.138 20 0 FGADHM CN(C(=O)Cn1ccc2ccc(Cl)cc21)c1ccccc1-c1nn[n-]n1 ZINC000825820699 607790795 /nfs/dbraw/zinc/79/07/95/607790795.db2.gz PGMGAZVDDRUIFJ-UHFFFAOYSA-N -1 3 366.812 3.138 20 0 FGADHM CCCC(CCC)C(=O)N(CCOC)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000825242344 607793720 /nfs/dbraw/zinc/79/37/20/607793720.db2.gz ORGMNEWKGVTJSQ-UHFFFAOYSA-N -1 3 359.474 3.058 20 0 FGADHM CCCC(CCC)C(=O)N(CCOC)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000825242344 607793721 /nfs/dbraw/zinc/79/37/21/607793721.db2.gz ORGMNEWKGVTJSQ-UHFFFAOYSA-N -1 3 359.474 3.058 20 0 FGADHM CCN(C(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367074 607798974 /nfs/dbraw/zinc/79/89/74/607798974.db2.gz IVCMEIXOQMWEGS-LSDHHAIUSA-N -1 3 369.375 3.302 20 0 FGADHM CCN(C(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367074 607798975 /nfs/dbraw/zinc/79/89/75/607798975.db2.gz IVCMEIXOQMWEGS-LSDHHAIUSA-N -1 3 369.375 3.302 20 0 FGADHM Cc1c(Cl)cnn1CN(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC000826241097 607809318 /nfs/dbraw/zinc/80/93/18/607809318.db2.gz QYDRYUSHFRFPPX-UHFFFAOYSA-N -1 3 359.865 3.141 20 0 FGADHM Cc1c(Cl)cnn1CN(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC000826241097 607809319 /nfs/dbraw/zinc/80/93/19/607809319.db2.gz QYDRYUSHFRFPPX-UHFFFAOYSA-N -1 3 359.865 3.141 20 0 FGADHM CC(C)(C)O[C@H](C(=O)NCc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000824119325 607815841 /nfs/dbraw/zinc/81/58/41/607815841.db2.gz FPLJVURRWZRJGL-KRWDZBQOSA-N -1 3 365.437 3.039 20 0 FGADHM CC(C)(C)O[C@H](C(=O)NCc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000824119325 607815842 /nfs/dbraw/zinc/81/58/42/607815842.db2.gz FPLJVURRWZRJGL-KRWDZBQOSA-N -1 3 365.437 3.039 20 0 FGADHM C[C@@H]1CSc2ccccc2N(C(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000825013777 607830423 /nfs/dbraw/zinc/83/04/23/607830423.db2.gz RONANHYBLIUUBJ-LBPRGKRZSA-N -1 3 351.435 3.255 20 0 FGADHM C[C@@H]1CSc2ccccc2N(C(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000825013777 607830424 /nfs/dbraw/zinc/83/04/24/607830424.db2.gz RONANHYBLIUUBJ-LBPRGKRZSA-N -1 3 351.435 3.255 20 0 FGADHM C[C@H]1CSc2ccccc2N(C(=O)c2sccc2-c2nnn[n-]2)C1 ZINC000825012236 607831679 /nfs/dbraw/zinc/83/16/79/607831679.db2.gz FHGJYGPYNRPYGM-SNVBAGLBSA-N -1 3 357.464 3.317 20 0 FGADHM C[C@H]1CSc2ccccc2N(C(=O)c2sccc2-c2nn[n-]n2)C1 ZINC000825012236 607831680 /nfs/dbraw/zinc/83/16/80/607831680.db2.gz FHGJYGPYNRPYGM-SNVBAGLBSA-N -1 3 357.464 3.317 20 0 FGADHM c1cc(-c2nnn[n-]2)cc(-c2nnc(COc3ccc4c(c3)CCCC4)o2)c1 ZINC000826512729 607849348 /nfs/dbraw/zinc/84/93/48/607849348.db2.gz LVNXLNVMJFHUDP-UHFFFAOYSA-N -1 3 374.404 3.375 20 0 FGADHM c1cc(-c2nn[n-]n2)cc(-c2nnc(COc3ccc4c(c3)CCCC4)o2)c1 ZINC000826512729 607849349 /nfs/dbraw/zinc/84/93/49/607849349.db2.gz LVNXLNVMJFHUDP-UHFFFAOYSA-N -1 3 374.404 3.375 20 0 FGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)Nc1cccnc1-c1ccccc1 ZINC000826441197 607858436 /nfs/dbraw/zinc/85/84/36/607858436.db2.gz SORPVLRXEPQSJJ-UHFFFAOYSA-N -1 3 371.404 3.250 20 0 FGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)Nc1cccnc1-c1ccccc1 ZINC000826441197 607858437 /nfs/dbraw/zinc/85/84/37/607858437.db2.gz SORPVLRXEPQSJJ-UHFFFAOYSA-N -1 3 371.404 3.250 20 0 FGADHM CCSc1ccccc1OCCOc1ccc(-c2nnn[n-]2)cc1OC ZINC000825673772 607866817 /nfs/dbraw/zinc/86/68/17/607866817.db2.gz BNUGPGLYTTUGNM-UHFFFAOYSA-N -1 3 372.450 3.445 20 0 FGADHM CCSc1ccccc1OCCOc1ccc(-c2nn[n-]n2)cc1OC ZINC000825673772 607866818 /nfs/dbraw/zinc/86/68/18/607866818.db2.gz BNUGPGLYTTUGNM-UHFFFAOYSA-N -1 3 372.450 3.445 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OCCOc1cccc(OC(C)C)c1 ZINC000826176373 607866939 /nfs/dbraw/zinc/86/69/39/607866939.db2.gz MMJREFDGZGLHHR-UHFFFAOYSA-N -1 3 370.409 3.120 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OCCOc1cccc(OC(C)C)c1 ZINC000826176373 607866940 /nfs/dbraw/zinc/86/69/40/607866940.db2.gz MMJREFDGZGLHHR-UHFFFAOYSA-N -1 3 370.409 3.120 20 0 FGADHM O[C@H](COc1ccc(Cl)c2cccnc12)c1ccc(-c2nnn[n-]2)cc1 ZINC000826504956 607871120 /nfs/dbraw/zinc/87/11/20/607871120.db2.gz IXTJPSWQAVIRNH-OAHLLOKOSA-N -1 3 367.796 3.181 20 0 FGADHM O[C@H](COc1ccc(Cl)c2cccnc12)c1ccc(-c2nn[n-]n2)cc1 ZINC000826504956 607871121 /nfs/dbraw/zinc/87/11/21/607871121.db2.gz IXTJPSWQAVIRNH-OAHLLOKOSA-N -1 3 367.796 3.181 20 0 FGADHM O[C@H](COc1ccc(-c2nnn[n-]2)cc1Cl)c1cccc(Cl)c1 ZINC000826504508 607873065 /nfs/dbraw/zinc/87/30/65/607873065.db2.gz XMCVAAKDAQDAAV-CYBMUJFWSA-N -1 3 351.193 3.286 20 0 FGADHM O[C@H](COc1ccc(-c2nn[n-]n2)cc1Cl)c1cccc(Cl)c1 ZINC000826504508 607873066 /nfs/dbraw/zinc/87/30/66/607873066.db2.gz XMCVAAKDAQDAAV-CYBMUJFWSA-N -1 3 351.193 3.286 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1OC[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000826278754 607877387 /nfs/dbraw/zinc/87/73/87/607877387.db2.gz QUYWUEYJGQLFFX-CQSZACIVSA-N -1 3 364.327 3.306 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1OC[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000826278754 607877388 /nfs/dbraw/zinc/87/73/88/607877388.db2.gz QUYWUEYJGQLFFX-CQSZACIVSA-N -1 3 364.327 3.306 20 0 FGADHM C[C@@H]1CCN(C(=O)c2ncc(-c3nnn[n-]3)cc2Cl)[C@@H](c2ccco2)C1 ZINC000824953290 607878498 /nfs/dbraw/zinc/87/84/98/607878498.db2.gz DIEGNDJVFQNWRO-ZWNOBZJWSA-N -1 3 372.816 3.122 20 0 FGADHM C[C@@H]1CCN(C(=O)c2ncc(-c3nn[n-]n3)cc2Cl)[C@@H](c2ccco2)C1 ZINC000824953290 607878499 /nfs/dbraw/zinc/87/84/99/607878499.db2.gz DIEGNDJVFQNWRO-ZWNOBZJWSA-N -1 3 372.816 3.122 20 0 FGADHM C[C@@H](OC(=O)c1csc([C@H]2CCCO2)n1)c1cccc(-c2nnn[n-]2)c1 ZINC000824729854 607923210 /nfs/dbraw/zinc/92/32/10/607923210.db2.gz LNRGCSFMEZMLAN-QMTHXVAHSA-N -1 3 371.422 3.093 20 0 FGADHM C[C@@H](OC(=O)c1csc([C@H]2CCCO2)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000824729854 607923211 /nfs/dbraw/zinc/92/32/11/607923211.db2.gz LNRGCSFMEZMLAN-QMTHXVAHSA-N -1 3 371.422 3.093 20 0 FGADHM C[C@@H](Cc1cccc(Cl)c1)C(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000824457564 607927535 /nfs/dbraw/zinc/92/75/35/607927535.db2.gz PVYAPPZSWCVJRJ-JTQLQIEISA-N -1 3 360.776 3.443 20 0 FGADHM C[C@@H](Cc1cccc(Cl)c1)C(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000824457564 607927536 /nfs/dbraw/zinc/92/75/36/607927536.db2.gz PVYAPPZSWCVJRJ-JTQLQIEISA-N -1 3 360.776 3.443 20 0 FGADHM Cc1cc(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)ccc1Br ZINC000826260602 607942179 /nfs/dbraw/zinc/94/21/79/607942179.db2.gz WJIQSMULUQKFOW-UHFFFAOYSA-N -1 3 372.226 3.498 20 0 FGADHM Cc1cc(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)ccc1Br ZINC000826260602 607942178 /nfs/dbraw/zinc/94/21/78/607942178.db2.gz WJIQSMULUQKFOW-UHFFFAOYSA-N -1 3 372.226 3.498 20 0 FGADHM O=C(c1cncc(-c2ccccc2)c1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826474750 607946788 /nfs/dbraw/zinc/94/67/88/607946788.db2.gz DCJAIMKCUBMNJX-UHFFFAOYSA-N -1 3 368.400 3.132 20 0 FGADHM O=C(c1cncc(-c2ccccc2)c1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826474750 607946789 /nfs/dbraw/zinc/94/67/89/607946789.db2.gz DCJAIMKCUBMNJX-UHFFFAOYSA-N -1 3 368.400 3.132 20 0 FGADHM Cc1cc(C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)c(C)n1C(C)C ZINC000826258410 607952447 /nfs/dbraw/zinc/95/24/47/607952447.db2.gz KPKFFGSPKCJHSV-UHFFFAOYSA-N -1 3 350.426 3.069 20 0 FGADHM Cc1cc(C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)c(C)n1C(C)C ZINC000826258410 607952448 /nfs/dbraw/zinc/95/24/48/607952448.db2.gz KPKFFGSPKCJHSV-UHFFFAOYSA-N -1 3 350.426 3.069 20 0 FGADHM O=C(c1csc2c1CCCC2)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826474746 607953623 /nfs/dbraw/zinc/95/36/23/607953623.db2.gz CZFDCFYBERVXOH-UHFFFAOYSA-N -1 3 351.435 3.010 20 0 FGADHM O=C(c1csc2c1CCCC2)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826474746 607953624 /nfs/dbraw/zinc/95/36/24/607953624.db2.gz CZFDCFYBERVXOH-UHFFFAOYSA-N -1 3 351.435 3.010 20 0 FGADHM C/C=C/c1ccc(OCc2ccc(OC)c(-c3nnn[n-]3)c2)c(OC)c1 ZINC000825029368 607971659 /nfs/dbraw/zinc/97/16/59/607971659.db2.gz QOMTXTWUPKEWGB-SNAWJCMRSA-N -1 3 352.394 3.496 20 0 FGADHM C/C=C/c1ccc(OCc2ccc(OC)c(-c3nn[n-]n3)c2)c(OC)c1 ZINC000825029368 607971660 /nfs/dbraw/zinc/97/16/60/607971660.db2.gz QOMTXTWUPKEWGB-SNAWJCMRSA-N -1 3 352.394 3.496 20 0 FGADHM CCOC(=O)Nc1cccc(OCc2ccc(OC)c(-c3nnn[n-]3)c2)c1 ZINC000825553530 607971880 /nfs/dbraw/zinc/97/18/80/607971880.db2.gz SJQMBNRHFAIZEG-UHFFFAOYSA-N -1 3 369.381 3.023 20 0 FGADHM CCOC(=O)Nc1cccc(OCc2ccc(OC)c(-c3nn[n-]n3)c2)c1 ZINC000825553530 607971881 /nfs/dbraw/zinc/97/18/81/607971881.db2.gz SJQMBNRHFAIZEG-UHFFFAOYSA-N -1 3 369.381 3.023 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C1CCC(F)(F)CC1 ZINC000825621368 607978457 /nfs/dbraw/zinc/97/84/57/607978457.db2.gz RBECHZBBIJZWFM-UHFFFAOYSA-N -1 3 351.357 3.029 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C1CCC(F)(F)CC1 ZINC000825621368 607978458 /nfs/dbraw/zinc/97/84/58/607978458.db2.gz RBECHZBBIJZWFM-UHFFFAOYSA-N -1 3 351.357 3.029 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1NC1CCC(OC(=O)[C@H]2C[C@@H]2C)CC1 ZINC000826254649 608012286 /nfs/dbraw/zinc/01/22/86/608012286.db2.gz VJXWDFHSFQPNPL-UTMSUHPFSA-N -1 3 355.442 3.097 20 0 FGADHM Brc1ccc(OCc2ncc(C3CC3)o2)c(-c2nnn[n-]2)c1 ZINC000823832266 608023365 /nfs/dbraw/zinc/02/33/65/608023365.db2.gz KCYBMONORGSOGY-UHFFFAOYSA-N -1 3 362.187 3.074 20 0 FGADHM Brc1ccc(OCc2ncc(C3CC3)o2)c(-c2nn[n-]n2)c1 ZINC000823832266 608023366 /nfs/dbraw/zinc/02/33/66/608023366.db2.gz KCYBMONORGSOGY-UHFFFAOYSA-N -1 3 362.187 3.074 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccc2c(c1)nc(C1CC1)n2C ZINC000826250400 608031442 /nfs/dbraw/zinc/03/14/42/608031442.db2.gz ZEDHRPNQRFFBBQ-UHFFFAOYSA-N -1 3 373.420 3.192 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccc2c(c1)nc(C1CC1)n2C ZINC000826250400 608031443 /nfs/dbraw/zinc/03/14/43/608031443.db2.gz ZEDHRPNQRFFBBQ-UHFFFAOYSA-N -1 3 373.420 3.192 20 0 FGADHM O=C(NC1(c2ccc(F)cc2F)CCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826427092 608031632 /nfs/dbraw/zinc/03/16/32/608031632.db2.gz GCDJVQAZXVRUOR-UHFFFAOYSA-N -1 3 369.375 3.344 20 0 FGADHM O=C(NC1(c2ccc(F)cc2F)CCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826427092 608031633 /nfs/dbraw/zinc/03/16/33/608031633.db2.gz GCDJVQAZXVRUOR-UHFFFAOYSA-N -1 3 369.375 3.344 20 0 FGADHM CC(C)C[C@H](CCO)CNc1ccc(-c2nn[n-]n2)cc1Br ZINC000824236155 608050653 /nfs/dbraw/zinc/05/06/53/608050653.db2.gz MRIDQKDCKMQRKC-NSHDSACASA-N -1 3 368.279 3.086 20 0 FGADHM O=C(CCCc1cc(F)ccc1F)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826406783 608059960 /nfs/dbraw/zinc/05/99/60/608059960.db2.gz MRPXRNZFZMGSKB-UHFFFAOYSA-N -1 3 369.375 3.057 20 0 FGADHM O=C(CCCc1cc(F)ccc1F)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826406783 608059961 /nfs/dbraw/zinc/05/99/61/608059961.db2.gz MRPXRNZFZMGSKB-UHFFFAOYSA-N -1 3 369.375 3.057 20 0 FGADHM COc1ccc2oc(C(=O)OCc3cccc(-c4nnn[n-]4)c3)c(C)c2c1 ZINC000826213777 608087011 /nfs/dbraw/zinc/08/70/11/608087011.db2.gz LZYFAZFTYCYMQJ-UHFFFAOYSA-N -1 3 364.361 3.287 20 0 FGADHM COc1ccc2oc(C(=O)OCc3cccc(-c4nn[n-]n4)c3)c(C)c2c1 ZINC000826213777 608087012 /nfs/dbraw/zinc/08/70/12/608087012.db2.gz LZYFAZFTYCYMQJ-UHFFFAOYSA-N -1 3 364.361 3.287 20 0 FGADHM Clc1cc(N[C@@H]2CC[C@@H]3SCCS[C@H]23)ccc1-c1nnn[n-]1 ZINC000826350635 608098888 /nfs/dbraw/zinc/09/88/88/608098888.db2.gz FMLMYJLCXWKCPL-FRRDWIJNSA-N -1 3 353.904 3.312 20 0 FGADHM Clc1cc(N[C@@H]2CC[C@@H]3SCCS[C@H]23)ccc1-c1nn[n-]n1 ZINC000826350635 608098889 /nfs/dbraw/zinc/09/88/89/608098889.db2.gz FMLMYJLCXWKCPL-FRRDWIJNSA-N -1 3 353.904 3.312 20 0 FGADHM O=C(NC1(c2ccc(F)cc2F)CCC1)c1cc(-c2nnn[n-]2)cs1 ZINC000826427764 608102867 /nfs/dbraw/zinc/10/28/67/608102867.db2.gz ZSLYEHXZRQEYDY-UHFFFAOYSA-N -1 3 361.377 3.016 20 0 FGADHM O=C(NC1(c2ccc(F)cc2F)CCC1)c1cc(-c2nn[n-]n2)cs1 ZINC000826427764 608102868 /nfs/dbraw/zinc/10/28/68/608102868.db2.gz ZSLYEHXZRQEYDY-UHFFFAOYSA-N -1 3 361.377 3.016 20 0 FGADHM CCC[C@@H](C(=O)NC1CCN(c2ccccc2-c2nnn[n-]2)CC1)C(C)C ZINC000825225256 608120696 /nfs/dbraw/zinc/12/06/96/608120696.db2.gz PWKZKRBBINYRBV-MRXNPFEDSA-N -1 3 370.501 3.024 20 0 FGADHM CCC[C@@H](C(=O)NC1CCN(c2ccccc2-c2nn[n-]n2)CC1)C(C)C ZINC000825225256 608120697 /nfs/dbraw/zinc/12/06/97/608120697.db2.gz PWKZKRBBINYRBV-MRXNPFEDSA-N -1 3 370.501 3.024 20 0 FGADHM Cc1cccc([C@H]2CCN(C(=O)C=Cc3ccccc3-c3nnn[n-]3)C2)c1 ZINC000826297601 608129996 /nfs/dbraw/zinc/12/99/96/608129996.db2.gz MPZZQZSJGDHFHH-BBVFFXRHSA-N -1 3 359.433 3.204 20 0 FGADHM Cc1cccc([C@H]2CCN(C(=O)C=Cc3ccccc3-c3nn[n-]n3)C2)c1 ZINC000826297601 608129997 /nfs/dbraw/zinc/12/99/97/608129997.db2.gz MPZZQZSJGDHFHH-BBVFFXRHSA-N -1 3 359.433 3.204 20 0 FGADHM Cc1cccc([C@@H]2CCN(C(=O)CCc3ccc(-c4nnn[n-]4)cc3)C2)c1 ZINC000826297528 608130432 /nfs/dbraw/zinc/13/04/32/608130432.db2.gz KSRFPOQWBOOZQV-LJQANCHMSA-N -1 3 361.449 3.124 20 0 FGADHM Cc1cccc([C@@H]2CCN(C(=O)CCc3ccc(-c4nn[n-]n4)cc3)C2)c1 ZINC000826297528 608130433 /nfs/dbraw/zinc/13/04/33/608130433.db2.gz KSRFPOQWBOOZQV-LJQANCHMSA-N -1 3 361.449 3.124 20 0 FGADHM Cc1sc(NC(=O)c2ncccc2C(F)(F)F)c(-c2nnn[n-]2)c1C ZINC000826350282 608148920 /nfs/dbraw/zinc/14/89/20/608148920.db2.gz PHRWEQKEKXCASO-UHFFFAOYSA-N -1 3 368.344 3.211 20 0 FGADHM Cc1sc(NC(=O)c2ncccc2C(F)(F)F)c(-c2nn[n-]n2)c1C ZINC000826350282 608148921 /nfs/dbraw/zinc/14/89/21/608148921.db2.gz PHRWEQKEKXCASO-UHFFFAOYSA-N -1 3 368.344 3.211 20 0 FGADHM C[C@@H]1CCC[C@@H](CSCC(=O)NCc2cccc(-c3nnn[n-]3)c2)C1 ZINC000824927117 608155432 /nfs/dbraw/zinc/15/54/32/608155432.db2.gz MSCHEMWCYLWKPJ-UKRRQHHQSA-N -1 3 359.499 3.042 20 0 FGADHM C[C@@H]1CCC[C@@H](CSCC(=O)NCc2cccc(-c3nn[n-]n3)c2)C1 ZINC000824927117 608155433 /nfs/dbraw/zinc/15/54/33/608155433.db2.gz MSCHEMWCYLWKPJ-UKRRQHHQSA-N -1 3 359.499 3.042 20 0 FGADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@@H]1CC12CCCCC2 ZINC000824206646 608164140 /nfs/dbraw/zinc/16/41/40/608164140.db2.gz GFQCMBNZPYGCTC-SJORKVTESA-N -1 3 369.469 3.109 20 0 FGADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@@H]1CC12CCCCC2 ZINC000824206646 608164141 /nfs/dbraw/zinc/16/41/41/608164141.db2.gz GFQCMBNZPYGCTC-SJORKVTESA-N -1 3 369.469 3.109 20 0 FGADHM COc1cc(Cl)ccc1C(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826179919 608185604 /nfs/dbraw/zinc/18/56/04/608185604.db2.gz KVVGXPNUDPRRAO-SNVBAGLBSA-N -1 3 358.785 3.447 20 0 FGADHM COc1cc(Cl)ccc1C(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826179919 608185606 /nfs/dbraw/zinc/18/56/06/608185606.db2.gz KVVGXPNUDPRRAO-SNVBAGLBSA-N -1 3 358.785 3.447 20 0 FGADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)O[C@H](C)c1ccco1 ZINC000824206695 608187553 /nfs/dbraw/zinc/18/75/53/608187553.db2.gz GRRWIRAEWRWBIO-WBMJQRKESA-N -1 3 356.382 3.168 20 0 FGADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)O[C@H](C)c1ccco1 ZINC000824206695 608187555 /nfs/dbraw/zinc/18/75/55/608187555.db2.gz GRRWIRAEWRWBIO-WBMJQRKESA-N -1 3 356.382 3.168 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)c1ncnc2ccc(F)cc21 ZINC000825322853 608190317 /nfs/dbraw/zinc/19/03/17/608190317.db2.gz KJJFEFJEBJHITA-UHFFFAOYSA-N -1 3 363.400 3.366 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)c1ncnc2ccc(F)cc21 ZINC000825322853 608190318 /nfs/dbraw/zinc/19/03/18/608190318.db2.gz KJJFEFJEBJHITA-UHFFFAOYSA-N -1 3 363.400 3.366 20 0 FGADHM Clc1ccc(N2CCC(Cc3cccnc3)CC2)c(-c2nnn[n-]2)c1 ZINC000826352382 608194185 /nfs/dbraw/zinc/19/41/85/608194185.db2.gz YPSDAICRZBSCHE-UHFFFAOYSA-N -1 3 354.845 3.374 20 0 FGADHM Clc1ccc(N2CCC(Cc3cccnc3)CC2)c(-c2nn[n-]n2)c1 ZINC000826352382 608194188 /nfs/dbraw/zinc/19/41/88/608194188.db2.gz YPSDAICRZBSCHE-UHFFFAOYSA-N -1 3 354.845 3.374 20 0 FGADHM CC[C@H](C)[C@H](O)C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000825061850 608198350 /nfs/dbraw/zinc/19/83/50/608198350.db2.gz ZHMQGEDTQNTGEL-SJCJKPOMSA-N -1 3 367.409 3.005 20 0 FGADHM CC[C@H](C)[C@H](O)C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000825061850 608198351 /nfs/dbraw/zinc/19/83/51/608198351.db2.gz ZHMQGEDTQNTGEL-SJCJKPOMSA-N -1 3 367.409 3.005 20 0 FGADHM Fc1cccc(Br)c1CSc1cc(-c2nnn[n-]2)ccn1 ZINC000826376572 608218748 /nfs/dbraw/zinc/21/87/48/608218748.db2.gz JMGFHVLHELYYJT-UHFFFAOYSA-N -1 3 366.219 3.456 20 0 FGADHM Fc1cccc(Br)c1CSc1cc(-c2nn[n-]n2)ccn1 ZINC000826376572 608218750 /nfs/dbraw/zinc/21/87/50/608218750.db2.gz JMGFHVLHELYYJT-UHFFFAOYSA-N -1 3 366.219 3.456 20 0 FGADHM O[C@@]1(CNc2ccc3cc(-c4nnn[n-]4)ccc3n2)CCCc2ccccc21 ZINC000826505972 608227168 /nfs/dbraw/zinc/22/71/68/608227168.db2.gz JQCIUWOYAJRUHQ-OAQYLSRUSA-N -1 3 372.432 3.051 20 0 FGADHM O[C@@]1(CNc2ccc3cc(-c4nn[n-]n4)ccc3n2)CCCc2ccccc21 ZINC000826505972 608227169 /nfs/dbraw/zinc/22/71/69/608227169.db2.gz JQCIUWOYAJRUHQ-OAQYLSRUSA-N -1 3 372.432 3.051 20 0 FGADHM c1ccc2c(c1)CC[C@H](CNc1ccc3cc(-c4nnn[n-]4)ccc3n1)N2 ZINC000826523725 608227633 /nfs/dbraw/zinc/22/76/33/608227633.db2.gz VYARAYOTRXFHKA-MRXNPFEDSA-N -1 3 357.421 3.254 20 0 FGADHM c1ccc2c(c1)CC[C@H](CNc1ccc3cc(-c4nn[n-]n4)ccc3n1)N2 ZINC000826523725 608227634 /nfs/dbraw/zinc/22/76/34/608227634.db2.gz VYARAYOTRXFHKA-MRXNPFEDSA-N -1 3 357.421 3.254 20 0 FGADHM Clc1cc(-c2nnn[n-]2)cnc1N[C@@H](c1ccccc1)[C@H]1CCOC1 ZINC000826351015 608238499 /nfs/dbraw/zinc/23/84/99/608238499.db2.gz UEVNZSPTFMKQEN-WFASDCNBSA-N -1 3 356.817 3.105 20 0 FGADHM Clc1cc(-c2nn[n-]n2)cnc1N[C@@H](c1ccccc1)[C@H]1CCOC1 ZINC000826351015 608238501 /nfs/dbraw/zinc/23/85/01/608238501.db2.gz UEVNZSPTFMKQEN-WFASDCNBSA-N -1 3 356.817 3.105 20 0 FGADHM Cc1cccc([C@@H](NCc2cccc(-c3nn[n-]n3)c2)c2ccccn2)c1 ZINC000826297035 608241636 /nfs/dbraw/zinc/24/16/36/608241636.db2.gz SRSPLWNIPQVZON-HXUWFJFHSA-N -1 3 356.433 3.449 20 0 FGADHM C[C@@H](NC(=O)C=Cc1ccc2[nH]ccc2c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824477938 608242465 /nfs/dbraw/zinc/24/24/65/608242465.db2.gz DCGAYFKSESZEFR-FWPCIQOSSA-N -1 3 358.405 3.239 20 0 FGADHM C[C@@H](NC(=O)C=Cc1ccc2[nH]ccc2c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824477938 608242467 /nfs/dbraw/zinc/24/24/67/608242467.db2.gz DCGAYFKSESZEFR-FWPCIQOSSA-N -1 3 358.405 3.239 20 0 FGADHM CC(C)[C@H]1C[C@H](Nc2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)CCO1 ZINC000824216351 608242838 /nfs/dbraw/zinc/24/28/38/608242838.db2.gz QBVZZYILIGEJPQ-MLGOLLRUSA-N -1 3 372.860 3.106 20 0 FGADHM CC(C)[C@H]1C[C@H](Nc2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)CCO1 ZINC000824216351 608242840 /nfs/dbraw/zinc/24/28/40/608242840.db2.gz QBVZZYILIGEJPQ-MLGOLLRUSA-N -1 3 372.860 3.106 20 0 FGADHM O=C(OCc1cn2ccccc2c1-c1nnn[n-]1)[C@@H](c1ccccc1)C1CC1 ZINC000826467300 608254756 /nfs/dbraw/zinc/25/47/56/608254756.db2.gz PRZXDFRABIOOFW-SFHVURJKSA-N -1 3 373.416 3.356 20 0 FGADHM O=C(OCc1cn2ccccc2c1-c1nn[n-]n1)[C@@H](c1ccccc1)C1CC1 ZINC000826467300 608254757 /nfs/dbraw/zinc/25/47/57/608254757.db2.gz PRZXDFRABIOOFW-SFHVURJKSA-N -1 3 373.416 3.356 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1COc1ccc2ccccc2c1C=O ZINC000826173075 608260386 /nfs/dbraw/zinc/26/03/86/608260386.db2.gz MBIOKIFRWSDLDN-UHFFFAOYSA-N -1 3 360.373 3.420 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1COc1ccc2ccccc2c1C=O ZINC000826173075 608260387 /nfs/dbraw/zinc/26/03/87/608260387.db2.gz MBIOKIFRWSDLDN-UHFFFAOYSA-N -1 3 360.373 3.420 20 0 FGADHM C[C@H](C(=O)Nc1ccccc1-c1nnn[n-]1)c1ccc(Br)cc1 ZINC000824045156 608262146 /nfs/dbraw/zinc/26/21/46/608262146.db2.gz HKDFKQROMSCVQN-JTQLQIEISA-N -1 3 372.226 3.371 20 0 FGADHM C[C@H](C(=O)Nc1ccccc1-c1nn[n-]n1)c1ccc(Br)cc1 ZINC000824045156 608262147 /nfs/dbraw/zinc/26/21/47/608262147.db2.gz HKDFKQROMSCVQN-JTQLQIEISA-N -1 3 372.226 3.371 20 0 FGADHM CN(C(=O)Cc1cccc(-c2nnn[n-]2)c1)c1c(Cl)cccc1Cl ZINC000825820437 608264717 /nfs/dbraw/zinc/26/47/17/608264717.db2.gz FLONEIYPQWERRU-UHFFFAOYSA-N -1 3 362.220 3.379 20 0 FGADHM CN(C(=O)Cc1cccc(-c2nn[n-]n2)c1)c1c(Cl)cccc1Cl ZINC000825820437 608264718 /nfs/dbraw/zinc/26/47/18/608264718.db2.gz FLONEIYPQWERRU-UHFFFAOYSA-N -1 3 362.220 3.379 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)c(NCc2cc(F)ccc2Br)n1 ZINC000826276656 608277039 /nfs/dbraw/zinc/27/70/39/608277039.db2.gz QFAAWSLGCAABRB-UHFFFAOYSA-N -1 3 363.194 3.084 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)c(NCc2cc(F)ccc2Br)n1 ZINC000826276656 608277040 /nfs/dbraw/zinc/27/70/40/608277040.db2.gz QFAAWSLGCAABRB-UHFFFAOYSA-N -1 3 363.194 3.084 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)c(NC[C@@H]2CCN(c3ccc(Cl)cc3)C2)n1 ZINC000826276039 608278877 /nfs/dbraw/zinc/27/88/77/608278877.db2.gz SAEPKEWUHJRNSB-ZDUSSCGKSA-N -1 3 369.860 3.162 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)c(NC[C@@H]2CCN(c3ccc(Cl)cc3)C2)n1 ZINC000826276039 608278878 /nfs/dbraw/zinc/27/88/78/608278878.db2.gz SAEPKEWUHJRNSB-ZDUSSCGKSA-N -1 3 369.860 3.162 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)c(NC[C@@H](O)c2c(Cl)cccc2Cl)n1 ZINC000826275932 608290436 /nfs/dbraw/zinc/29/04/36/608290436.db2.gz OUKRLBBNYXLRIH-GFCCVEGCSA-N -1 3 365.224 3.022 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)c(NC[C@@H](O)c2c(Cl)cccc2Cl)n1 ZINC000826275932 608290438 /nfs/dbraw/zinc/29/04/38/608290438.db2.gz OUKRLBBNYXLRIH-GFCCVEGCSA-N -1 3 365.224 3.022 20 0 FGADHM CC[C@@H](C)NC(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000825068032 608290810 /nfs/dbraw/zinc/29/08/10/608290810.db2.gz OSDBUHPFSHPIKB-CYBMUJFWSA-N -1 3 350.426 3.131 20 0 FGADHM CC[C@@H](C)NC(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000825068032 608290813 /nfs/dbraw/zinc/29/08/13/608290813.db2.gz OSDBUHPFSHPIKB-CYBMUJFWSA-N -1 3 350.426 3.131 20 0 FGADHM Cc1ccsc1CCNC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000826316130 608301692 /nfs/dbraw/zinc/30/16/92/608301692.db2.gz DOHQDIUFAALOIC-UHFFFAOYSA-N -1 3 373.486 3.157 20 0 FGADHM Cc1ccsc1CCNC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000826316130 608301694 /nfs/dbraw/zinc/30/16/94/608301694.db2.gz DOHQDIUFAALOIC-UHFFFAOYSA-N -1 3 373.486 3.157 20 0 FGADHM Cc1cccc([C@H](Nc2nc(C)ccc2-c2nnn[n-]2)c2ccccn2)c1 ZINC000826297004 608302117 /nfs/dbraw/zinc/30/21/17/608302117.db2.gz RKLHBQWTPLHPPI-SFHVURJKSA-N -1 3 357.421 3.475 20 0 FGADHM Cc1cccc([C@H](Nc2nc(C)ccc2-c2nn[n-]n2)c2ccccn2)c1 ZINC000826297004 608302119 /nfs/dbraw/zinc/30/21/19/608302119.db2.gz RKLHBQWTPLHPPI-SFHVURJKSA-N -1 3 357.421 3.475 20 0 FGADHM CC(C)Cn1ncc(NC(=O)Cc2ccc(-c3nnn[n-]3)cc2)c1C(C)C ZINC000824285161 608312144 /nfs/dbraw/zinc/31/21/44/608312144.db2.gz ZLYDCJMYEKXDRZ-UHFFFAOYSA-N -1 3 367.457 3.024 20 0 FGADHM CC(C)Cn1ncc(NC(=O)Cc2ccc(-c3nn[n-]n3)cc2)c1C(C)C ZINC000824285161 608312145 /nfs/dbraw/zinc/31/21/45/608312145.db2.gz ZLYDCJMYEKXDRZ-UHFFFAOYSA-N -1 3 367.457 3.024 20 0 FGADHM CC(C)c1ccc(C[C@H](C)NC(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824447751 608314056 /nfs/dbraw/zinc/31/40/56/608314056.db2.gz CHSDCYHQRDRYCO-HNNXBMFYSA-N -1 3 363.465 3.280 20 0 FGADHM CC(C)c1ccc(C[C@H](C)NC(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824447751 608314058 /nfs/dbraw/zinc/31/40/58/608314058.db2.gz CHSDCYHQRDRYCO-HNNXBMFYSA-N -1 3 363.465 3.280 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1CNc1cc(NC(C)=O)ccc1Cl ZINC000826170457 608320261 /nfs/dbraw/zinc/32/02/61/608320261.db2.gz AMTSLLAIJUVSAE-UHFFFAOYSA-N -1 3 372.816 3.099 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1CNc1cc(NC(C)=O)ccc1Cl ZINC000826170457 608320264 /nfs/dbraw/zinc/32/02/64/608320264.db2.gz AMTSLLAIJUVSAE-UHFFFAOYSA-N -1 3 372.816 3.099 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1CSC[C@@H]1OCCc2ccccc21 ZINC000826173661 608322728 /nfs/dbraw/zinc/32/27/28/608322728.db2.gz OUKGALUNUWEZJP-SFHVURJKSA-N -1 3 368.462 3.423 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1CSC[C@@H]1OCCc2ccccc21 ZINC000826173661 608322730 /nfs/dbraw/zinc/32/27/30/608322730.db2.gz OUKGALUNUWEZJP-SFHVURJKSA-N -1 3 368.462 3.423 20 0 FGADHM CC1(C)c2ccccc2CCN1C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000824816523 608336823 /nfs/dbraw/zinc/33/68/23/608336823.db2.gz FVKFHJPWMPMHJC-UHFFFAOYSA-N -1 3 361.449 3.119 20 0 FGADHM CC1(C)c2ccccc2CCN1C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000824816523 608336825 /nfs/dbraw/zinc/33/68/25/608336825.db2.gz FVKFHJPWMPMHJC-UHFFFAOYSA-N -1 3 361.449 3.119 20 0 FGADHM CC(C)[C@H](C)NC(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000824191813 608341162 /nfs/dbraw/zinc/34/11/62/608341162.db2.gz GJZDSRBPDFTIGF-AWEZNQCLSA-N -1 3 364.453 3.377 20 0 FGADHM CC(C)[C@H](C)NC(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000824191813 608341164 /nfs/dbraw/zinc/34/11/64/608341164.db2.gz GJZDSRBPDFTIGF-AWEZNQCLSA-N -1 3 364.453 3.377 20 0 FGADHM CCCCO[C@H](C)C(=O)N(CC)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825291886 608343323 /nfs/dbraw/zinc/34/33/23/608343323.db2.gz ZDDUKOJUQOEEPD-LLVKDONJSA-N -1 3 351.838 3.078 20 0 FGADHM CCCCO[C@H](C)C(=O)N(CC)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825291886 608343325 /nfs/dbraw/zinc/34/33/25/608343325.db2.gz ZDDUKOJUQOEEPD-LLVKDONJSA-N -1 3 351.838 3.078 20 0 FGADHM CCN(C(=O)CC[C@H](C)SC)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825372384 608345448 /nfs/dbraw/zinc/34/54/48/608345448.db2.gz WQPSZIUTJNHCFS-JTQLQIEISA-N -1 3 353.879 3.405 20 0 FGADHM CCN(C(=O)CC[C@H](C)SC)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825372384 608345450 /nfs/dbraw/zinc/34/54/50/608345450.db2.gz WQPSZIUTJNHCFS-JTQLQIEISA-N -1 3 353.879 3.405 20 0 FGADHM CCN(C(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)C(C)C ZINC000825376113 608356904 /nfs/dbraw/zinc/35/69/04/608356904.db2.gz CFBITLAPVANSHU-UHFFFAOYSA-N -1 3 364.453 3.474 20 0 FGADHM CCN(C(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)C(C)C ZINC000825376113 608356905 /nfs/dbraw/zinc/35/69/05/608356905.db2.gz CFBITLAPVANSHU-UHFFFAOYSA-N -1 3 364.453 3.474 20 0 FGADHM O=C(NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)N1C[C@@H]2CCC[C@H]21 ZINC000826440957 608357172 /nfs/dbraw/zinc/35/71/72/608357172.db2.gz HAZFEVWABORJJP-QFBILLFUSA-N -1 3 374.448 3.228 20 0 FGADHM O=C(NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)N1C[C@@H]2CCC[C@H]21 ZINC000826440957 608357174 /nfs/dbraw/zinc/35/71/74/608357174.db2.gz HAZFEVWABORJJP-QFBILLFUSA-N -1 3 374.448 3.228 20 0 FGADHM c1c(CNc2c(-c3nnn[n-]3)cnc3ccccc32)onc1-c1ccccc1 ZINC000826519403 608366366 /nfs/dbraw/zinc/36/63/66/608366366.db2.gz XCYFHVDKUMJJHN-UHFFFAOYSA-N -1 3 369.388 3.104 20 0 FGADHM c1c(CNc2c(-c3nn[n-]n3)cnc3ccccc32)onc1-c1ccccc1 ZINC000826519403 608366368 /nfs/dbraw/zinc/36/63/68/608366368.db2.gz XCYFHVDKUMJJHN-UHFFFAOYSA-N -1 3 369.388 3.104 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1CN1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000826170132 608371086 /nfs/dbraw/zinc/37/10/86/608371086.db2.gz PGIFHEXERBWUQK-UHFFFAOYSA-N -1 3 374.448 3.223 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1CN1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000826170132 608371088 /nfs/dbraw/zinc/37/10/88/608371088.db2.gz PGIFHEXERBWUQK-UHFFFAOYSA-N -1 3 374.448 3.223 20 0 FGADHM CC(C)(C(=O)OCC(=O)c1cccc(-c2nnn[n-]2)c1)C1CCCCC1 ZINC000824065196 608379969 /nfs/dbraw/zinc/37/99/69/608379969.db2.gz VYAFCJVLIJYXPQ-UHFFFAOYSA-N -1 3 356.426 3.199 20 0 FGADHM CC(C)(C(=O)OCC(=O)c1cccc(-c2nn[n-]n2)c1)C1CCCCC1 ZINC000824065196 608379970 /nfs/dbraw/zinc/37/99/70/608379970.db2.gz VYAFCJVLIJYXPQ-UHFFFAOYSA-N -1 3 356.426 3.199 20 0 FGADHM Cc1cc(C)c(-c2nnn[n-]2)c(SC[C@@H](O)c2ccc(Cl)cc2)n1 ZINC000826262950 608392449 /nfs/dbraw/zinc/39/24/49/608392449.db2.gz FGBNVGJVEQJZOS-CYBMUJFWSA-N -1 3 361.858 3.358 20 0 FGADHM Cc1cc(C)c(-c2nn[n-]n2)c(SC[C@@H](O)c2ccc(Cl)cc2)n1 ZINC000826262950 608392451 /nfs/dbraw/zinc/39/24/51/608392451.db2.gz FGBNVGJVEQJZOS-CYBMUJFWSA-N -1 3 361.858 3.358 20 0 FGADHM Cc1ccccc1[C@@H]1CN(Cc2cccc(-c3nnn[n-]3)c2F)[C@@H](C)CO1 ZINC000826307020 608397753 /nfs/dbraw/zinc/39/77/53/608397753.db2.gz UCZQNFVZQBTXEJ-KSSFIOAISA-N -1 3 367.428 3.276 20 0 FGADHM Cc1ccccc1[C@@H]1CN(Cc2cccc(-c3nn[n-]n3)c2F)[C@@H](C)CO1 ZINC000826307020 608397754 /nfs/dbraw/zinc/39/77/54/608397754.db2.gz UCZQNFVZQBTXEJ-KSSFIOAISA-N -1 3 367.428 3.276 20 0 FGADHM C[C@@H]1c2cc(F)cc(F)c2CCN1Cc1cccc(-c2nnn[n-]2)c1F ZINC000825020473 608400570 /nfs/dbraw/zinc/40/05/70/608400570.db2.gz JZZURHKYQQSDGO-SNVBAGLBSA-N -1 3 359.355 3.403 20 0 FGADHM C[C@@H]1c2cc(F)cc(F)c2CCN1Cc1cccc(-c2nn[n-]n2)c1F ZINC000825020473 608400571 /nfs/dbraw/zinc/40/05/71/608400571.db2.gz JZZURHKYQQSDGO-SNVBAGLBSA-N -1 3 359.355 3.403 20 0 FGADHM CCCC1(CNC(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)CC1 ZINC000825248326 608423010 /nfs/dbraw/zinc/42/30/10/608423010.db2.gz RIAJNAIYYCEVEW-UHFFFAOYSA-N -1 3 366.469 3.246 20 0 FGADHM CCCC1(CNC(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)CC1 ZINC000825248326 608423011 /nfs/dbraw/zinc/42/30/11/608423011.db2.gz RIAJNAIYYCEVEW-UHFFFAOYSA-N -1 3 366.469 3.246 20 0 FGADHM CC(C)C[C@@H](C)NC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824228029 608425465 /nfs/dbraw/zinc/42/54/65/608425465.db2.gz DIWVAHIBLLGVAF-CQSZACIVSA-N -1 3 354.458 3.100 20 0 FGADHM CC(C)C[C@@H](C)NC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824228029 608425466 /nfs/dbraw/zinc/42/54/66/608425466.db2.gz DIWVAHIBLLGVAF-CQSZACIVSA-N -1 3 354.458 3.100 20 0 FGADHM C[C@H](NC(=O)CCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1Cl ZINC000826232050 608434124 /nfs/dbraw/zinc/43/41/24/608434124.db2.gz HRIZLQHQARVCEP-LBPRGKRZSA-N -1 3 355.829 3.330 20 0 FGADHM C[C@H](NC(=O)CCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1Cl ZINC000826232050 608434126 /nfs/dbraw/zinc/43/41/26/608434126.db2.gz HRIZLQHQARVCEP-LBPRGKRZSA-N -1 3 355.829 3.330 20 0 FGADHM Fc1cc(Cl)cnc1N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826372279 608442206 /nfs/dbraw/zinc/44/22/06/608442206.db2.gz PKJSQOPVRUEUOY-UHFFFAOYSA-N -1 3 356.792 3.348 20 0 FGADHM Fc1cc(Cl)cnc1N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826372279 608442208 /nfs/dbraw/zinc/44/22/08/608442208.db2.gz PKJSQOPVRUEUOY-UHFFFAOYSA-N -1 3 356.792 3.348 20 0 FGADHM O=C(C[C@@H]1CCOc2ccccc21)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826405037 608448331 /nfs/dbraw/zinc/44/83/31/608448331.db2.gz UAYCZOXTBUHCMQ-LBPRGKRZSA-N -1 3 368.368 3.005 20 0 FGADHM O=C(C[C@@H]1CCOc2ccccc21)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826405037 608448333 /nfs/dbraw/zinc/44/83/33/608448333.db2.gz UAYCZOXTBUHCMQ-LBPRGKRZSA-N -1 3 368.368 3.005 20 0 FGADHM C[C@H](CCOc1ccccc1)C(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000824406295 608449526 /nfs/dbraw/zinc/44/95/26/608449526.db2.gz HBUJWNQAFWUTHT-CYBMUJFWSA-N -1 3 370.384 3.154 20 0 FGADHM C[C@H](CCOc1ccccc1)C(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000824406295 608449528 /nfs/dbraw/zinc/44/95/28/608449528.db2.gz HBUJWNQAFWUTHT-CYBMUJFWSA-N -1 3 370.384 3.154 20 0 FGADHM CC(=Cc1ccc(F)cc1)C(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000823943662 608450717 /nfs/dbraw/zinc/45/07/17/608450717.db2.gz REPXYBOTMWKMHZ-LUAWRHEFSA-N -1 3 356.332 3.292 20 0 FGADHM CC(=Cc1ccc(F)cc1)C(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000823943662 608450718 /nfs/dbraw/zinc/45/07/18/608450718.db2.gz REPXYBOTMWKMHZ-LUAWRHEFSA-N -1 3 356.332 3.292 20 0 FGADHM O=C(/C=C\SCc1ccco1)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826399824 608452148 /nfs/dbraw/zinc/45/21/48/608452148.db2.gz HEVIKTANOCNOPE-VURMDHGXSA-N -1 3 360.370 3.089 20 0 FGADHM O=C(/C=C\SCc1ccco1)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826399824 608452151 /nfs/dbraw/zinc/45/21/51/608452151.db2.gz HEVIKTANOCNOPE-VURMDHGXSA-N -1 3 360.370 3.089 20 0 FGADHM Cc1cccc2nc(CN3CC=C(c4ccc(-c5nn[n-]n5)cc4)CC3)cn21 ZINC000826305038 608463928 /nfs/dbraw/zinc/46/39/28/608463928.db2.gz IFURFXHADHUNET-UHFFFAOYSA-N -1 3 371.448 3.112 20 0 FGADHM C[C@H](CC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1)c1ccncc1 ZINC000824385523 608480046 /nfs/dbraw/zinc/48/00/46/608480046.db2.gz WCKPYIISJCFOBU-OAHLLOKOSA-N -1 3 374.448 3.071 20 0 FGADHM C[C@H](CC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1)c1ccncc1 ZINC000824385523 608480047 /nfs/dbraw/zinc/48/00/47/608480047.db2.gz WCKPYIISJCFOBU-OAHLLOKOSA-N -1 3 374.448 3.071 20 0 FGADHM Fc1c(CNc2ccc(-n3cccn3)c(Cl)c2)cccc1-c1nnn[n-]1 ZINC000826370941 608481629 /nfs/dbraw/zinc/48/16/29/608481629.db2.gz MKVXVFIYPOVERU-UHFFFAOYSA-N -1 3 369.791 3.457 20 0 FGADHM Fc1c(CNc2ccc(-n3cccn3)c(Cl)c2)cccc1-c1nn[n-]n1 ZINC000826370941 608481631 /nfs/dbraw/zinc/48/16/31/608481631.db2.gz MKVXVFIYPOVERU-UHFFFAOYSA-N -1 3 369.791 3.457 20 0 FGADHM O=C(c1c(F)cccc1F)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826469222 608484491 /nfs/dbraw/zinc/48/44/91/608484491.db2.gz YEIPMKPZRAJBCY-UHFFFAOYSA-N -1 3 367.359 3.074 20 0 FGADHM O=C(c1c(F)cccc1F)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826469222 608484492 /nfs/dbraw/zinc/48/44/92/608484492.db2.gz YEIPMKPZRAJBCY-UHFFFAOYSA-N -1 3 367.359 3.074 20 0 FGADHM c1cc(-c2nnn[n-]2)oc1CN1CCC[C@@H]1c1nc2ccccc2s1 ZINC000826524134 608499287 /nfs/dbraw/zinc/49/92/87/608499287.db2.gz KUCCPPVNZMDHCO-CYBMUJFWSA-N -1 3 352.423 3.407 20 0 FGADHM c1cc(-c2nn[n-]n2)oc1CN1CCC[C@@H]1c1nc2ccccc2s1 ZINC000826524134 608499288 /nfs/dbraw/zinc/49/92/88/608499288.db2.gz KUCCPPVNZMDHCO-CYBMUJFWSA-N -1 3 352.423 3.407 20 0 FGADHM COc1nc2ccccc2cc1CN(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826221744 608524892 /nfs/dbraw/zinc/52/48/92/608524892.db2.gz SPQVRZLPELQDLA-UHFFFAOYSA-N -1 3 360.421 3.056 20 0 FGADHM CCO[C@H](C)c1nc(CNC2(c3cccc(-c4nnn[n-]4)c3)CC2)cs1 ZINC000825576849 608530228 /nfs/dbraw/zinc/53/02/28/608530228.db2.gz OQTHFUWPTXDLKX-GFCCVEGCSA-N -1 3 370.482 3.200 20 0 FGADHM CCO[C@H](C)c1nc(CNC2(c3cccc(-c4nn[n-]n4)c3)CC2)cs1 ZINC000825576849 608530230 /nfs/dbraw/zinc/53/02/30/608530230.db2.gz OQTHFUWPTXDLKX-GFCCVEGCSA-N -1 3 370.482 3.200 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1CNC1(c2ccc(F)cc2F)CCC1 ZINC000826170390 608538392 /nfs/dbraw/zinc/53/83/92/608538392.db2.gz YQTUWEKQKAPTGD-UHFFFAOYSA-N -1 3 371.391 3.323 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1CNC1(c2ccc(F)cc2F)CCC1 ZINC000826170390 608538393 /nfs/dbraw/zinc/53/83/93/608538393.db2.gz YQTUWEKQKAPTGD-UHFFFAOYSA-N -1 3 371.391 3.323 20 0 FGADHM CCc1ccnc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)c1 ZINC000825728203 608540149 /nfs/dbraw/zinc/54/01/49/608540149.db2.gz KPLYMZJNKUKUER-UHFFFAOYSA-N -1 3 354.439 3.017 20 0 FGADHM CCc1ccnc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)c1 ZINC000825728203 608540150 /nfs/dbraw/zinc/54/01/50/608540150.db2.gz KPLYMZJNKUKUER-UHFFFAOYSA-N -1 3 354.439 3.017 20 0 FGADHM CC(C)(CNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)c1ccncc1 ZINC000824162692 608553192 /nfs/dbraw/zinc/55/31/92/608553192.db2.gz MUWBLIORCZLYDD-UHFFFAOYSA-N -1 3 363.347 3.065 20 0 FGADHM CC(C)(CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)c1ccncc1 ZINC000824162692 608553193 /nfs/dbraw/zinc/55/31/93/608553193.db2.gz MUWBLIORCZLYDD-UHFFFAOYSA-N -1 3 363.347 3.065 20 0 FGADHM O=C(N[C@H]1CCCc2ccccc21)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826430785 608574191 /nfs/dbraw/zinc/57/41/91/608574191.db2.gz KORLLLLVVYPKMG-INIZCTEOSA-N -1 3 353.813 3.328 20 0 FGADHM O=C(N[C@H]1CCCc2ccccc21)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826430785 608574193 /nfs/dbraw/zinc/57/41/93/608574193.db2.gz KORLLLLVVYPKMG-INIZCTEOSA-N -1 3 353.813 3.328 20 0 FGADHM CC(C)c1cc(C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc(=O)[nH]1 ZINC000824342165 608576244 /nfs/dbraw/zinc/57/62/44/608576244.db2.gz LSGMSROPKGLYKB-NSHDSACASA-N -1 3 353.382 3.009 20 0 FGADHM CC(C)c1cc(C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc(=O)[nH]1 ZINC000824342165 608576245 /nfs/dbraw/zinc/57/62/45/608576245.db2.gz LSGMSROPKGLYKB-NSHDSACASA-N -1 3 353.382 3.009 20 0 FGADHM C[C@H](c1ccccn1)N(C)Cc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000824770310 608582454 /nfs/dbraw/zinc/58/24/54/608582454.db2.gz IRUWSOYNLDEJTQ-LLVKDONJSA-N -1 3 360.368 3.056 20 0 FGADHM C[C@H](c1ccccn1)N(C)Cc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000824770310 608582456 /nfs/dbraw/zinc/58/24/56/608582456.db2.gz IRUWSOYNLDEJTQ-LLVKDONJSA-N -1 3 360.368 3.056 20 0 FGADHM Fc1c(CN(Cc2ccco2)Cc2ccco2)cccc1-c1nnn[n-]1 ZINC000826370313 608642725 /nfs/dbraw/zinc/64/27/25/608642725.db2.gz MXZJBQJIPJDLHP-UHFFFAOYSA-N -1 3 353.357 3.394 20 0 FGADHM Fc1c(CN(Cc2ccco2)Cc2ccco2)cccc1-c1nn[n-]n1 ZINC000826370313 608642726 /nfs/dbraw/zinc/64/27/26/608642726.db2.gz MXZJBQJIPJDLHP-UHFFFAOYSA-N -1 3 353.357 3.394 20 0 FGADHM CC1(C)CO[C@@H](c2ccccc2)CN1Cc1cccc(-c2nnn[n-]2)c1F ZINC000824813242 608646841 /nfs/dbraw/zinc/64/68/41/608646841.db2.gz WRRSZCASZFIKOV-QGZVFWFLSA-N -1 3 367.428 3.358 20 0 FGADHM CC1(C)CO[C@@H](c2ccccc2)CN1Cc1cccc(-c2nn[n-]n2)c1F ZINC000824813242 608646842 /nfs/dbraw/zinc/64/68/42/608646842.db2.gz WRRSZCASZFIKOV-QGZVFWFLSA-N -1 3 367.428 3.358 20 0 FGADHM Clc1ccc(C2(CNc3cnccc3-c3nnn[n-]3)CCOCC2)cc1 ZINC000826351529 608777289 /nfs/dbraw/zinc/77/72/89/608777289.db2.gz QCIBQXLLWJYVOH-UHFFFAOYSA-N -1 3 370.844 3.075 20 0 FGADHM Clc1ccc(C2(CNc3cnccc3-c3nn[n-]n3)CCOCC2)cc1 ZINC000826351529 608777292 /nfs/dbraw/zinc/77/72/92/608777292.db2.gz QCIBQXLLWJYVOH-UHFFFAOYSA-N -1 3 370.844 3.075 20 0 FGADHM Brc1cccc(CCCNc2cnccc2-c2nnn[n-]2)c1 ZINC000823832881 608780814 /nfs/dbraw/zinc/78/08/14/608780814.db2.gz XUXQKGBSSZBPMK-UHFFFAOYSA-N -1 3 359.231 3.069 20 0 FGADHM Brc1cccc(CCCNc2cnccc2-c2nn[n-]n2)c1 ZINC000823832881 608780816 /nfs/dbraw/zinc/78/08/16/608780816.db2.gz XUXQKGBSSZBPMK-UHFFFAOYSA-N -1 3 359.231 3.069 20 0 FGADHM Cc1cc(C)cc(C2=CCN(c3nnc(C)c(C)c3-c3nnn[n-]3)CC2)c1 ZINC000826264248 608799287 /nfs/dbraw/zinc/79/92/87/608799287.db2.gz HHRABMQHMYJEDF-UHFFFAOYSA-N -1 3 361.453 3.184 20 0 FGADHM Cc1cc(C)cc(C2=CCN(c3nnc(C)c(C)c3-c3nn[n-]n3)CC2)c1 ZINC000826264248 608799292 /nfs/dbraw/zinc/79/92/92/608799292.db2.gz HHRABMQHMYJEDF-UHFFFAOYSA-N -1 3 361.453 3.184 20 0 FGADHM C[C@@H]1c2ccc(F)cc2C[C@H](C)N1C(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825011933 608825422 /nfs/dbraw/zinc/82/54/22/608825422.db2.gz AMRKTPKLXTUYGM-NWDGAFQWSA-N -1 3 351.385 3.154 20 0 FGADHM C[C@@H]1c2ccc(F)cc2C[C@H](C)N1C(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825011933 608825425 /nfs/dbraw/zinc/82/54/25/608825425.db2.gz AMRKTPKLXTUYGM-NWDGAFQWSA-N -1 3 351.385 3.154 20 0 FGADHM Cc1cc([C@@H](C)NC(=O)c2ncc(-c3nnn[n-]3)cc2Cl)c(C)s1 ZINC000826261398 608829377 /nfs/dbraw/zinc/82/93/77/608829377.db2.gz DFBPKNQMRRWPCH-MRVPVSSYSA-N -1 3 362.846 3.084 20 0 FGADHM Cc1cc([C@@H](C)NC(=O)c2ncc(-c3nn[n-]n3)cc2Cl)c(C)s1 ZINC000826261398 608829382 /nfs/dbraw/zinc/82/93/82/608829382.db2.gz DFBPKNQMRRWPCH-MRVPVSSYSA-N -1 3 362.846 3.084 20 0 FGADHM Fc1ccc(Cl)cc1CN1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826374658 608854401 /nfs/dbraw/zinc/85/44/01/608854401.db2.gz IFIPDRNUQXONHC-KRWDZBQOSA-N -1 3 373.819 3.233 20 0 FGADHM Fc1ccc(Cl)cc1CN1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826374658 608854405 /nfs/dbraw/zinc/85/44/05/608854405.db2.gz IFIPDRNUQXONHC-KRWDZBQOSA-N -1 3 373.819 3.233 20 0 FGADHM O=C(c1sccc1-c1nnn[n-]1)N1CCC[C@H]1/C=C/c1ccccc1 ZINC000826475578 609138815 /nfs/dbraw/zinc/13/88/15/609138815.db2.gz KGGMAYMCIZCKSH-VFNNOXKTSA-N -1 3 351.435 3.246 20 0 FGADHM O=C(c1sccc1-c1nn[n-]n1)N1CCC[C@H]1/C=C/c1ccccc1 ZINC000826475578 609138817 /nfs/dbraw/zinc/13/88/17/609138817.db2.gz KGGMAYMCIZCKSH-VFNNOXKTSA-N -1 3 351.435 3.246 20 0 FGADHM CCN(CC(=O)Nc1sc(C)c(C)c1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000825399098 609164913 /nfs/dbraw/zinc/16/49/13/609164913.db2.gz IUZDAZWOFPZWAL-UHFFFAOYSA-N -1 3 374.445 3.149 20 0 FGADHM CCN(CC(=O)Nc1sc(C)c(C)c1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000825399098 609164914 /nfs/dbraw/zinc/16/49/14/609164914.db2.gz IUZDAZWOFPZWAL-UHFFFAOYSA-N -1 3 374.445 3.149 20 0 FGADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N[C@@H]1CCO[C@H](CC(C)C)C1 ZINC000826304750 609172424 /nfs/dbraw/zinc/17/24/24/609172424.db2.gz WREMYMADTZSRCN-HUUCEWRRSA-N -1 3 366.469 3.151 20 0 FGADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N[C@@H]1CCO[C@H](CC(C)C)C1 ZINC000826304750 609172425 /nfs/dbraw/zinc/17/24/25/609172425.db2.gz WREMYMADTZSRCN-HUUCEWRRSA-N -1 3 366.469 3.151 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OCc1ncc(Cl)cc1Cl ZINC000826176489 609173820 /nfs/dbraw/zinc/17/38/20/609173820.db2.gz RQOJOPFBKNBZPE-UHFFFAOYSA-N -1 3 352.181 3.156 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OCc1ncc(Cl)cc1Cl ZINC000826176489 609173821 /nfs/dbraw/zinc/17/38/21/609173821.db2.gz RQOJOPFBKNBZPE-UHFFFAOYSA-N -1 3 352.181 3.156 20 0 FGADHM C[C@H](NCc1ccn(-c2ccccc2F)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000824625828 609183582 /nfs/dbraw/zinc/18/35/82/609183582.db2.gz KSYZYJZLYOPMAH-ZDUSSCGKSA-N -1 3 363.400 3.042 20 0 FGADHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N1Cc2ccccc2-c2ccccc2C1 ZINC000826469919 609207391 /nfs/dbraw/zinc/20/73/91/609207391.db2.gz WEDIJCFMHWQQPQ-UHFFFAOYSA-N -1 3 356.389 3.018 20 0 FGADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1Cc2ccccc2-c2ccccc2C1 ZINC000826469919 609207393 /nfs/dbraw/zinc/20/73/93/609207393.db2.gz WEDIJCFMHWQQPQ-UHFFFAOYSA-N -1 3 356.389 3.018 20 0 FGADHM CC[C@H](C)C[C@H](CC)Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1 ZINC000825059394 609242310 /nfs/dbraw/zinc/24/23/10/609242310.db2.gz FEMMXBWVQRYPRH-GJZGRUSLSA-N -1 3 372.517 3.455 20 0 FGADHM CC[C@H](C)C[C@H](CC)Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1 ZINC000825059394 609242311 /nfs/dbraw/zinc/24/23/11/609242311.db2.gz FEMMXBWVQRYPRH-GJZGRUSLSA-N -1 3 372.517 3.455 20 0 FGADHM Fc1cc(-c2nnn[n-]2)ccc1CNc1nnc(CC2CCCCC2)o1 ZINC000826371993 609266432 /nfs/dbraw/zinc/26/64/32/609266432.db2.gz BSJAWZXQHNNDLH-UHFFFAOYSA-N -1 3 357.393 3.124 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1CNc1nnc(CC2CCCCC2)o1 ZINC000826371993 609266433 /nfs/dbraw/zinc/26/64/33/609266433.db2.gz BSJAWZXQHNNDLH-UHFFFAOYSA-N -1 3 357.393 3.124 20 0 FGADHM Cc1nc(NCc2cc(-c3nnn[n-]3)cs2)ccc1Br ZINC000826327704 609266578 /nfs/dbraw/zinc/26/65/78/609266578.db2.gz QZYHFRDYCRBFTF-UHFFFAOYSA-N -1 3 351.233 3.006 20 0 FGADHM Cc1nc(NCc2cc(-c3nn[n-]n3)cs2)ccc1Br ZINC000826327704 609266579 /nfs/dbraw/zinc/26/65/79/609266579.db2.gz QZYHFRDYCRBFTF-UHFFFAOYSA-N -1 3 351.233 3.006 20 0 FGADHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C1(C)CCCCCC1 ZINC000826158292 609280548 /nfs/dbraw/zinc/28/05/48/609280548.db2.gz JBOCKZIUNCSHJC-UHFFFAOYSA-N -1 3 371.485 3.202 20 0 FGADHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C1(C)CCCCCC1 ZINC000826158292 609280550 /nfs/dbraw/zinc/28/05/50/609280550.db2.gz JBOCKZIUNCSHJC-UHFFFAOYSA-N -1 3 371.485 3.202 20 0 FGADHM CN(C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)[C@@H]1CCc2ccccc2C1 ZINC000825829888 609300186 /nfs/dbraw/zinc/30/01/86/609300186.db2.gz JWZGINXPYCWKFN-OAHLLOKOSA-N -1 3 367.840 3.150 20 0 FGADHM CN(C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)[C@@H]1CCc2ccccc2C1 ZINC000825829888 609300187 /nfs/dbraw/zinc/30/01/87/609300187.db2.gz JWZGINXPYCWKFN-OAHLLOKOSA-N -1 3 367.840 3.150 20 0 FGADHM O=C(c1ccccc1Oc1ccccc1-c1nnn[n-]1)N1C2CCC1CC2 ZINC000826474637 609312099 /nfs/dbraw/zinc/31/20/99/609312099.db2.gz YMMNCGFKSUPJRB-UHFFFAOYSA-N -1 3 361.405 3.426 20 0 FGADHM O=C(c1ccccc1Oc1ccccc1-c1nn[n-]n1)N1C2CCC1CC2 ZINC000826474637 609312101 /nfs/dbraw/zinc/31/21/01/609312101.db2.gz YMMNCGFKSUPJRB-UHFFFAOYSA-N -1 3 361.405 3.426 20 0 FGADHM Cc1cc(C)c(-c2nnn[n-]2)c(NCc2ccccc2N2CCCCC2)n1 ZINC000826263044 609320982 /nfs/dbraw/zinc/32/09/82/609320982.db2.gz IXKLCTJYQYRRAW-UHFFFAOYSA-N -1 3 363.469 3.481 20 0 FGADHM Cc1cc(C)c(-c2nn[n-]n2)c(NCc2ccccc2N2CCCCC2)n1 ZINC000826263044 609320983 /nfs/dbraw/zinc/32/09/83/609320983.db2.gz IXKLCTJYQYRRAW-UHFFFAOYSA-N -1 3 363.469 3.481 20 0 FGADHM COc1ccc(OCc2ccc(-c3nnn[n-]3)cc2Br)cc1 ZINC000826211435 609325629 /nfs/dbraw/zinc/32/56/29/609325629.db2.gz CSJHUJCNZZVUCH-UHFFFAOYSA-N -1 3 361.199 3.217 20 0 FGADHM COc1ccc(OCc2ccc(-c3nn[n-]n3)cc2Br)cc1 ZINC000826211435 609325630 /nfs/dbraw/zinc/32/56/30/609325630.db2.gz CSJHUJCNZZVUCH-UHFFFAOYSA-N -1 3 361.199 3.217 20 0 FGADHM CC(C)OCCSCc1ccc(-c2nnn[n-]2)cc1Br ZINC000824314757 609328573 /nfs/dbraw/zinc/32/85/73/609328573.db2.gz FLGIGDKJAPNHAO-UHFFFAOYSA-N -1 3 357.277 3.287 20 0 FGADHM CC(C)OCCSCc1ccc(-c2nn[n-]n2)cc1Br ZINC000824314757 609328574 /nfs/dbraw/zinc/32/85/74/609328574.db2.gz FLGIGDKJAPNHAO-UHFFFAOYSA-N -1 3 357.277 3.287 20 0 FGADHM CS[C@@H](C)CNC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826226286 609332321 /nfs/dbraw/zinc/33/23/21/609332321.db2.gz WQVUUNISCOXCJF-LBPRGKRZSA-N -1 3 369.450 3.140 20 0 FGADHM CS[C@@H](C)CNC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826226286 609332322 /nfs/dbraw/zinc/33/23/22/609332322.db2.gz WQVUUNISCOXCJF-LBPRGKRZSA-N -1 3 369.450 3.140 20 0 FGADHM Cc1ccsc1COC(=O)[C@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC000826316666 609338375 /nfs/dbraw/zinc/33/83/75/609338375.db2.gz UZQDLCLUFZUODF-MRXNPFEDSA-N -1 3 372.450 3.383 20 0 FGADHM Cc1ccsc1COC(=O)[C@H](Oc1ccccc1-c1nn[n-]n1)C(C)C ZINC000826316666 609338377 /nfs/dbraw/zinc/33/83/77/609338377.db2.gz UZQDLCLUFZUODF-MRXNPFEDSA-N -1 3 372.450 3.383 20 0 FGADHM C[C@@H](N[C@@H]1CCOc2ccc(F)cc21)c1ccc(-c2nnn[n-]2)cc1F ZINC000824554164 609340916 /nfs/dbraw/zinc/34/09/16/609340916.db2.gz NFHCGTXABMVWRD-QLJPJBMISA-N -1 3 357.364 3.319 20 0 FGADHM C[C@@H](N[C@@H]1CCOc2ccc(F)cc21)c1ccc(-c2nn[n-]n2)cc1F ZINC000824554164 609340917 /nfs/dbraw/zinc/34/09/17/609340917.db2.gz NFHCGTXABMVWRD-QLJPJBMISA-N -1 3 357.364 3.319 20 0 FGADHM C[C@@H](Nc1cncc(Br)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824662646 609348154 /nfs/dbraw/zinc/34/81/54/609348154.db2.gz OTEYTHUJUKOEGH-MRVPVSSYSA-N -1 3 363.194 3.336 20 0 FGADHM C[C@@H](Nc1cncc(Br)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824662646 609348156 /nfs/dbraw/zinc/34/81/56/609348156.db2.gz OTEYTHUJUKOEGH-MRVPVSSYSA-N -1 3 363.194 3.336 20 0 FGADHM CC(C)[C@H]1C[C@@H](CC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CCO1 ZINC000824216268 609370155 /nfs/dbraw/zinc/37/01/55/609370155.db2.gz POSDLHWZKPJMPI-XHDPSFHLSA-N -1 3 363.849 3.300 20 0 FGADHM CC(C)[C@H]1C[C@@H](CC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CCO1 ZINC000824216268 609370159 /nfs/dbraw/zinc/37/01/59/609370159.db2.gz POSDLHWZKPJMPI-XHDPSFHLSA-N -1 3 363.849 3.300 20 0 FGADHM CC[C@H]1C[C@H](CC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)CCO1 ZINC000825182729 609376052 /nfs/dbraw/zinc/37/60/52/609376052.db2.gz LYIQUGKBQCFJAX-AEFFLSMTSA-N -1 3 371.485 3.199 20 0 FGADHM CC[C@H]1C[C@H](CC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)CCO1 ZINC000825182729 609376053 /nfs/dbraw/zinc/37/60/53/609376053.db2.gz LYIQUGKBQCFJAX-AEFFLSMTSA-N -1 3 371.485 3.199 20 0 FGADHM O=C(c1ccccc1Oc1ccccc1-c1nnn[n-]1)N1C[C@@H]2CCC[C@H]21 ZINC000826474100 609384551 /nfs/dbraw/zinc/38/45/51/609384551.db2.gz ACEPAVTUCFZIAH-XJKSGUPXSA-N -1 3 361.405 3.284 20 0 FGADHM O=C(c1ccccc1Oc1ccccc1-c1nn[n-]n1)N1C[C@@H]2CCC[C@H]21 ZINC000826474100 609384554 /nfs/dbraw/zinc/38/45/54/609384554.db2.gz ACEPAVTUCFZIAH-XJKSGUPXSA-N -1 3 361.405 3.284 20 0 FGADHM O=C(c1ccccc1Oc1ccccc1-c1nnn[n-]1)N1C[C@H]2CCC[C@@H]21 ZINC000826474098 609384821 /nfs/dbraw/zinc/38/48/21/609384821.db2.gz ACEPAVTUCFZIAH-CJNGLKHVSA-N -1 3 361.405 3.284 20 0 FGADHM O=C(c1ccccc1Oc1ccccc1-c1nn[n-]n1)N1C[C@H]2CCC[C@@H]21 ZINC000826474098 609384823 /nfs/dbraw/zinc/38/48/23/609384823.db2.gz ACEPAVTUCFZIAH-CJNGLKHVSA-N -1 3 361.405 3.284 20 0 FGADHM CC(C)[C@@H]1C[C@@H](CC(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)CCO1 ZINC000824712678 609403044 /nfs/dbraw/zinc/40/30/44/609403044.db2.gz BLGXJYIUITYOGD-ZQIUZPCESA-N -1 3 358.442 3.312 20 0 FGADHM CC(C)[C@@H]1C[C@@H](CC(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)CCO1 ZINC000824712678 609403047 /nfs/dbraw/zinc/40/30/47/609403047.db2.gz BLGXJYIUITYOGD-ZQIUZPCESA-N -1 3 358.442 3.312 20 0 FGADHM O=C(c1sccc1-c1nnn[n-]1)N1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000826475965 609405634 /nfs/dbraw/zinc/40/56/34/609405634.db2.gz XNECVNFRCKFAJM-GFCCVEGCSA-N -1 3 371.441 3.477 20 0 FGADHM O=C(c1sccc1-c1nn[n-]n1)N1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000826475965 609405636 /nfs/dbraw/zinc/40/56/36/609405636.db2.gz XNECVNFRCKFAJM-GFCCVEGCSA-N -1 3 371.441 3.477 20 0 FGADHM COc1ccc2c(c1)C[C@@H](C)N(C(=O)c1cc(-c3nnn[n-]3)cs1)[C@H]2C ZINC000826212508 609408365 /nfs/dbraw/zinc/40/83/65/609408365.db2.gz SXFMRPRBQNXLFQ-MNOVXSKESA-N -1 3 369.450 3.085 20 0 FGADHM COc1ccc2c(c1)C[C@@H](C)N(C(=O)c1cc(-c3nn[n-]n3)cs1)[C@H]2C ZINC000826212508 609408366 /nfs/dbraw/zinc/40/83/66/609408366.db2.gz SXFMRPRBQNXLFQ-MNOVXSKESA-N -1 3 369.450 3.085 20 0 FGADHM COc1ccc2c(c1)C[C@H](C)N(C(=O)c1cc(-c3nnn[n-]3)cs1)[C@@H]2C ZINC000826212510 609408489 /nfs/dbraw/zinc/40/84/89/609408489.db2.gz SXFMRPRBQNXLFQ-WDEREUQCSA-N -1 3 369.450 3.085 20 0 FGADHM COc1ccc2c(c1)C[C@H](C)N(C(=O)c1cc(-c3nn[n-]n3)cs1)[C@@H]2C ZINC000826212510 609408490 /nfs/dbraw/zinc/40/84/90/609408490.db2.gz SXFMRPRBQNXLFQ-WDEREUQCSA-N -1 3 369.450 3.085 20 0 FGADHM O=C1[C@H](Oc2ccccc2Cl)CCCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000826477791 609428641 /nfs/dbraw/zinc/42/86/41/609428641.db2.gz LORFMAAMWOPKGK-MRXNPFEDSA-N -1 3 369.812 3.095 20 0 FGADHM O=C1[C@H](Oc2ccccc2Cl)CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826477791 609428642 /nfs/dbraw/zinc/42/86/42/609428642.db2.gz LORFMAAMWOPKGK-MRXNPFEDSA-N -1 3 369.812 3.095 20 0 FGADHM O=C(C[C@H]1CCCN1c1ncc(-c2nnn[n-]2)cc1Cl)c1ccccc1 ZINC000826404924 609430306 /nfs/dbraw/zinc/43/03/06/609430306.db2.gz QDAVGQVWBNFTJX-CQSZACIVSA-N -1 3 368.828 3.157 20 0 FGADHM O=C(C[C@H]1CCCN1c1ncc(-c2nn[n-]n2)cc1Cl)c1ccccc1 ZINC000826404924 609430308 /nfs/dbraw/zinc/43/03/08/609430308.db2.gz QDAVGQVWBNFTJX-CQSZACIVSA-N -1 3 368.828 3.157 20 0 FGADHM O=C(Nc1ccccc1SC1CCCC1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826457921 609431406 /nfs/dbraw/zinc/43/14/06/609431406.db2.gz VTACUXLUZGARRG-UHFFFAOYSA-N -1 3 354.439 3.482 20 0 FGADHM O=C(Nc1ccccc1SC1CCCC1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826457921 609431409 /nfs/dbraw/zinc/43/14/09/609431409.db2.gz VTACUXLUZGARRG-UHFFFAOYSA-N -1 3 354.439 3.482 20 0 FGADHM CC(C)(C)C[C@@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1)C(F)(F)F ZINC000824087261 609436916 /nfs/dbraw/zinc/43/69/16/609436916.db2.gz RUSKJCYVGLHOGD-GFCCVEGCSA-N -1 3 370.379 3.033 20 0 FGADHM CC(C)(C)C[C@@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1)C(F)(F)F ZINC000824087261 609436918 /nfs/dbraw/zinc/43/69/18/609436918.db2.gz RUSKJCYVGLHOGD-GFCCVEGCSA-N -1 3 370.379 3.033 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NCc1c(Cl)n(C)nc1C(F)(F)F ZINC000826278684 609440387 /nfs/dbraw/zinc/44/03/87/609440387.db2.gz OAKVWMIPSXSRST-UHFFFAOYSA-N -1 3 371.754 3.193 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NCc1c(Cl)n(C)nc1C(F)(F)F ZINC000826278684 609440389 /nfs/dbraw/zinc/44/03/89/609440389.db2.gz OAKVWMIPSXSRST-UHFFFAOYSA-N -1 3 371.754 3.193 20 0 FGADHM Cc1c(NCc2c(Cl)n(C)nc2C(F)(F)F)cccc1-c1nnn[n-]1 ZINC000826242453 609440563 /nfs/dbraw/zinc/44/05/63/609440563.db2.gz PIRBAPCFGNWVIY-UHFFFAOYSA-N -1 3 371.754 3.193 20 0 FGADHM Cc1c(NCc2c(Cl)n(C)nc2C(F)(F)F)cccc1-c1nn[n-]n1 ZINC000826242453 609440565 /nfs/dbraw/zinc/44/05/65/609440565.db2.gz PIRBAPCFGNWVIY-UHFFFAOYSA-N -1 3 371.754 3.193 20 0 FGADHM CC(C)c1nc2ccc(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)cc2s1 ZINC000824364460 609447508 /nfs/dbraw/zinc/44/75/08/609447508.db2.gz HUPZNJIZTOYPLS-UHFFFAOYSA-N -1 3 353.411 3.180 20 0 FGADHM CC(C)c1nc2ccc(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)cc2s1 ZINC000824364460 609447511 /nfs/dbraw/zinc/44/75/11/609447511.db2.gz HUPZNJIZTOYPLS-UHFFFAOYSA-N -1 3 353.411 3.180 20 0 FGADHM CCC[C@H](Cc1ccccc1)N(CCC)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000825242412 609453773 /nfs/dbraw/zinc/45/37/73/609453773.db2.gz QKRNGICUBWJMHN-QGZVFWFLSA-N -1 3 366.469 3.458 20 0 FGADHM CCC[C@H](Cc1ccccc1)N(CCC)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000825242412 609453774 /nfs/dbraw/zinc/45/37/74/609453774.db2.gz QKRNGICUBWJMHN-QGZVFWFLSA-N -1 3 366.469 3.458 20 0 FGADHM O=C(Nc1cc(F)ccc1Oc1ccccc1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826451615 609455554 /nfs/dbraw/zinc/45/55/54/609455554.db2.gz OLVHJWZTMDOPGT-UHFFFAOYSA-N -1 3 364.340 3.379 20 0 FGADHM O=C(Nc1cc(F)ccc1Oc1ccccc1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826451615 609455556 /nfs/dbraw/zinc/45/55/56/609455556.db2.gz OLVHJWZTMDOPGT-UHFFFAOYSA-N -1 3 364.340 3.379 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NCc1occc1Br ZINC000825632606 609475234 /nfs/dbraw/zinc/47/52/34/609475234.db2.gz XUSBEVDSEHJHBJ-UHFFFAOYSA-N -1 3 364.203 3.233 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NCc1occc1Br ZINC000825632606 609475236 /nfs/dbraw/zinc/47/52/36/609475236.db2.gz XUSBEVDSEHJHBJ-UHFFFAOYSA-N -1 3 364.203 3.233 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000826278529 609482036 /nfs/dbraw/zinc/48/20/36/609482036.db2.gz HPZVGIQICLVGRV-UHFFFAOYSA-N -1 3 372.473 3.234 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000826278529 609482038 /nfs/dbraw/zinc/48/20/38/609482038.db2.gz HPZVGIQICLVGRV-UHFFFAOYSA-N -1 3 372.473 3.234 20 0 FGADHM COCCOc1ccc(-c2nnn[n-]2)cc1NCCCc1cccc(F)c1 ZINC000826162013 609483604 /nfs/dbraw/zinc/48/36/04/609483604.db2.gz JNAUXHRQJMLOSP-UHFFFAOYSA-N -1 3 371.416 3.076 20 0 FGADHM COCCOc1ccc(-c2nn[n-]n2)cc1NCCCc1cccc(F)c1 ZINC000826162013 609483606 /nfs/dbraw/zinc/48/36/06/609483606.db2.gz JNAUXHRQJMLOSP-UHFFFAOYSA-N -1 3 371.416 3.076 20 0 FGADHM CC(C)(C)c1cccc(OS(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000824135603 609507186 /nfs/dbraw/zinc/50/71/86/609507186.db2.gz HAMZLYYARJJWHS-UHFFFAOYSA-N -1 3 372.450 3.073 20 0 FGADHM CC(C)(C)c1cccc(OS(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000824135603 609507188 /nfs/dbraw/zinc/50/71/88/609507188.db2.gz HAMZLYYARJJWHS-UHFFFAOYSA-N -1 3 372.450 3.073 20 0 FGADHM CCC[C@H]1C[C@H](C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)CCO1 ZINC000825251625 609522181 /nfs/dbraw/zinc/52/21/81/609522181.db2.gz DAQMPFIBJXCABD-MSOLQXFVSA-N -1 3 371.485 3.199 20 0 FGADHM CCC[C@H]1C[C@H](C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)CCO1 ZINC000825251625 609522183 /nfs/dbraw/zinc/52/21/83/609522183.db2.gz DAQMPFIBJXCABD-MSOLQXFVSA-N -1 3 371.485 3.199 20 0 FGADHM CC(C)Oc1c(F)cc(NC(=O)c2cc(-c3nnn[n-]3)cs2)cc1F ZINC000824315670 609536820 /nfs/dbraw/zinc/53/68/20/609536820.db2.gz SXEJKUQQHPOWDT-UHFFFAOYSA-N -1 3 365.365 3.246 20 0 FGADHM CC(C)Oc1c(F)cc(NC(=O)c2cc(-c3nn[n-]n3)cs2)cc1F ZINC000824315670 609536821 /nfs/dbraw/zinc/53/68/21/609536821.db2.gz SXEJKUQQHPOWDT-UHFFFAOYSA-N -1 3 365.365 3.246 20 0 FGADHM Cc1ccnc(NC[C@@H]2CCCO[C@@H]2c2ccccc2)c1-c1nnn[n-]1 ZINC000826313698 609540271 /nfs/dbraw/zinc/54/02/71/609540271.db2.gz QHXYMWJTMONDGX-DOTOQJQBSA-N -1 3 350.426 3.150 20 0 FGADHM Cc1ccnc(NC[C@@H]2CCCO[C@@H]2c2ccccc2)c1-c1nn[n-]n1 ZINC000826313698 609540273 /nfs/dbraw/zinc/54/02/73/609540273.db2.gz QHXYMWJTMONDGX-DOTOQJQBSA-N -1 3 350.426 3.150 20 0 FGADHM Cc1c(Cl)cnc(NCCc2csc(C(C)C)n2)c1-c1nnn[n-]1 ZINC000826240184 609545683 /nfs/dbraw/zinc/54/56/83/609545683.db2.gz HQZRBDSSIVMYJH-UHFFFAOYSA-N -1 3 363.878 3.458 20 0 FGADHM Cc1c(Cl)cnc(NCCc2csc(C(C)C)n2)c1-c1nn[n-]n1 ZINC000826240184 609545688 /nfs/dbraw/zinc/54/56/88/609545688.db2.gz HQZRBDSSIVMYJH-UHFFFAOYSA-N -1 3 363.878 3.458 20 0 FGADHM Cc1ccnc(NCc2ccc(Br)cc2C)c1-c1nnn[n-]1 ZINC000826256430 609551216 /nfs/dbraw/zinc/55/12/16/609551216.db2.gz JDXKKLVKORMNHD-UHFFFAOYSA-N -1 3 359.231 3.253 20 0 FGADHM Cc1ccnc(NCc2ccc(Br)cc2C)c1-c1nn[n-]n1 ZINC000826256430 609551219 /nfs/dbraw/zinc/55/12/19/609551219.db2.gz JDXKKLVKORMNHD-UHFFFAOYSA-N -1 3 359.231 3.253 20 0 FGADHM Cc1ccnc(N[C@@H](CC(=O)OC(C)C)c2ccccc2)c1-c1nnn[n-]1 ZINC000826311335 609564545 /nfs/dbraw/zinc/56/45/45/609564545.db2.gz AWRLVRHEJPJFKW-HNNXBMFYSA-N -1 3 366.425 3.065 20 0 FGADHM Cc1ccnc(N[C@@H](CC(=O)OC(C)C)c2ccccc2)c1-c1nn[n-]n1 ZINC000826311335 609564547 /nfs/dbraw/zinc/56/45/47/609564547.db2.gz AWRLVRHEJPJFKW-HNNXBMFYSA-N -1 3 366.425 3.065 20 0 FGADHM Cc1ccnc(N[C@H](CC(=O)OC(C)C)c2ccccc2)c1-c1nnn[n-]1 ZINC000826311336 609564878 /nfs/dbraw/zinc/56/48/78/609564878.db2.gz AWRLVRHEJPJFKW-OAHLLOKOSA-N -1 3 366.425 3.065 20 0 FGADHM Cc1ccnc(N[C@H](CC(=O)OC(C)C)c2ccccc2)c1-c1nn[n-]n1 ZINC000826311336 609564879 /nfs/dbraw/zinc/56/48/79/609564879.db2.gz AWRLVRHEJPJFKW-OAHLLOKOSA-N -1 3 366.425 3.065 20 0 FGADHM Cc1c(Cl)cnc(N[C@H](c2ccccc2)[C@@H]2CCOC2)c1-c1nnn[n-]1 ZINC000826238484 609584293 /nfs/dbraw/zinc/58/42/93/609584293.db2.gz HMBAMMARWDMUQF-CZUORRHYSA-N -1 3 370.844 3.413 20 0 FGADHM Cc1c(Cl)cnc(N[C@H](c2ccccc2)[C@@H]2CCOC2)c1-c1nn[n-]n1 ZINC000826238484 609584296 /nfs/dbraw/zinc/58/42/96/609584296.db2.gz HMBAMMARWDMUQF-CZUORRHYSA-N -1 3 370.844 3.413 20 0 FGADHM CS[C@@H](CNC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)C(C)(C)C ZINC000826225462 609602949 /nfs/dbraw/zinc/60/29/49/609602949.db2.gz CURRDBRTBLINHA-FZMZJTMJSA-N -1 3 362.503 3.005 20 0 FGADHM CS[C@@H](CNC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)C(C)(C)C ZINC000826225462 609602951 /nfs/dbraw/zinc/60/29/51/609602951.db2.gz CURRDBRTBLINHA-FZMZJTMJSA-N -1 3 362.503 3.005 20 0 FGADHM Cc1ccc2c(c1)[C@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)[C@H](C)C2 ZINC000826294695 609603979 /nfs/dbraw/zinc/60/39/79/609603979.db2.gz ZBBMJGGHAFETTD-WYGRXFGPSA-N -1 3 359.433 3.238 20 0 FGADHM Cc1ccc2c(c1)[C@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)[C@H](C)C2 ZINC000826294695 609603981 /nfs/dbraw/zinc/60/39/81/609603981.db2.gz ZBBMJGGHAFETTD-WYGRXFGPSA-N -1 3 359.433 3.238 20 0 FGADHM C[C@@H]1CCCC[C@H]1OCC(=O)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000824937625 609614191 /nfs/dbraw/zinc/61/41/91/609614191.db2.gz QECBLMRGWPGWNL-IAQYHMDHSA-N -1 3 364.833 3.159 20 0 FGADHM C[C@@H]1CCCC[C@H]1OCC(=O)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000824937625 609614192 /nfs/dbraw/zinc/61/41/92/609614192.db2.gz QECBLMRGWPGWNL-IAQYHMDHSA-N -1 3 364.833 3.159 20 0 FGADHM Cc1cc(C(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)nn1C(C)(C)C ZINC000826261878 609614751 /nfs/dbraw/zinc/61/47/51/609614751.db2.gz WNCPETJHNPKWIV-UHFFFAOYSA-N -1 3 374.832 3.137 20 0 FGADHM Cc1cc(C(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)nn1C(C)(C)C ZINC000826261878 609614753 /nfs/dbraw/zinc/61/47/53/609614753.db2.gz WNCPETJHNPKWIV-UHFFFAOYSA-N -1 3 374.832 3.137 20 0 FGADHM COc1cccc(F)c1C(=O)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826216566 609615604 /nfs/dbraw/zinc/61/56/04/609615604.db2.gz FGICNRODUZLLPP-UHFFFAOYSA-N -1 3 362.748 3.025 20 0 FGADHM COc1cccc(F)c1C(=O)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826216566 609615606 /nfs/dbraw/zinc/61/56/06/609615606.db2.gz FGICNRODUZLLPP-UHFFFAOYSA-N -1 3 362.748 3.025 20 0 FGADHM Cc1cccc(OC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)c1F ZINC000826300007 609621513 /nfs/dbraw/zinc/62/15/13/609621513.db2.gz DNFQHNPTEXGRJW-UHFFFAOYSA-N -1 3 356.357 3.077 20 0 FGADHM Cc1cccc(OC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)c1F ZINC000826300007 609621515 /nfs/dbraw/zinc/62/15/15/609621515.db2.gz DNFQHNPTEXGRJW-UHFFFAOYSA-N -1 3 356.357 3.077 20 0 FGADHM Cc1ccc2ccccc2c1COC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826294937 609630480 /nfs/dbraw/zinc/63/04/80/609630480.db2.gz KEUPIBCMMMBJFR-IBGZPJMESA-N -1 3 374.400 3.105 20 0 FGADHM Cc1ccc2ccccc2c1COC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826294937 609630482 /nfs/dbraw/zinc/63/04/82/609630482.db2.gz KEUPIBCMMMBJFR-IBGZPJMESA-N -1 3 374.400 3.105 20 0 FGADHM CCOC(=O)C(=Cc1cccnc1)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000007502844 695570692 /nfs/dbraw/zinc/57/06/92/695570692.db2.gz XVUNDUQMLSZOOG-JYRVWZFOSA-N -1 3 355.419 3.100 20 0 FGADHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]CCC(C)C ZINC000024233950 695666720 /nfs/dbraw/zinc/66/67/20/695666720.db2.gz MSHHSIOQOLKGJO-UHFFFAOYSA-N -1 3 370.696 3.436 20 0 FGADHM CN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)c1ccccc1 ZINC000029736511 695715851 /nfs/dbraw/zinc/71/58/51/695715851.db2.gz QYQOJUJKHDZWAG-UHFFFAOYSA-N -1 3 364.442 3.179 20 0 FGADHM CC(C)(C)c1ccccc1NC(=O)CSc1nc2nncc-2c(O)[n-]1 ZINC000030587810 695724651 /nfs/dbraw/zinc/72/46/51/695724651.db2.gz BVHUYGHWVXMHEO-UHFFFAOYSA-N -1 3 357.439 3.087 20 0 FGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)NCCC2=CCCCC2)ccc1F ZINC000046122342 695833683 /nfs/dbraw/zinc/83/36/83/695833683.db2.gz TZSVNEQVHXRMGG-UHFFFAOYSA-N -1 3 368.474 3.133 20 0 FGADHM O=S(=O)([N-]C[C@H](c1ccco1)N1CCCCC1)c1ccc(F)cc1F ZINC000047031305 695849907 /nfs/dbraw/zinc/84/99/07/695849907.db2.gz UZBAKNGJBBJPQM-OAHLLOKOSA-N -1 3 370.421 3.063 20 0 FGADHM O=S(=O)([N-]C[C@@H](c1ccccc1)N1CCCC1)c1c(F)cccc1F ZINC000047032985 695850444 /nfs/dbraw/zinc/85/04/44/695850444.db2.gz WYDCOWADEWXIEB-KRWDZBQOSA-N -1 3 366.433 3.080 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C)c(N3CCOC3=O)c2)c(C)c1 ZINC000072760994 695962598 /nfs/dbraw/zinc/96/25/98/695962598.db2.gz OFHNYUXYYNFNMS-UHFFFAOYSA-N -1 3 360.435 3.369 20 0 FGADHM CO[C@@H](CNC(=O)NN=c1[n-]c(Cl)c(Cl)cc1Cl)C(C)C ZINC000074932340 700202104 /nfs/dbraw/zinc/20/21/04/700202104.db2.gz RZFLRBCMDMFIKJ-VIFPVBQESA-N -1 3 355.653 3.339 20 0 FGADHM CC[C@@H]1CCC[C@H](NC(=O)N[N-]C(=O)c2ccccc2Br)C1 ZINC000077856271 700267260 /nfs/dbraw/zinc/26/72/60/700267260.db2.gz SSQZFPKXLKKXEK-NEPJUHHUSA-N -1 3 368.275 3.362 20 0 FGADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N(C)Cc1c(F)cccc1Cl ZINC000078794693 700288403 /nfs/dbraw/zinc/28/84/03/700288403.db2.gz FSTMZMNEQGMKJT-UHFFFAOYSA-N -1 3 351.809 3.266 20 0 FGADHM COCCn1nc(C)c([N-]S(=O)(=O)/C=C/c2ccc(Cl)cc2)c1C ZINC000080327191 700315461 /nfs/dbraw/zinc/31/54/61/700315461.db2.gz ACOZDCPKWWCCNQ-DHZHZOJOSA-N -1 3 369.874 3.212 20 0 FGADHM COc1cccc(/C(C)=C/C(=O)Nc2ccccc2[N-]S(C)(=O)=O)c1 ZINC000081603227 700338181 /nfs/dbraw/zinc/33/81/81/700338181.db2.gz GTQAJQOKXYEBCO-ACCUITESSA-N -1 3 360.435 3.109 20 0 FGADHM Cc1ccc([O-])c(CN2CCO[C@H](c3ccccc3Br)C2)n1 ZINC000092592252 700438100 /nfs/dbraw/zinc/43/81/00/700438100.db2.gz LJSGHTORBJBRLR-KRWDZBQOSA-N -1 3 363.255 3.432 20 0 FGADHM C[C@H](OC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)c1ccc(F)cc1F ZINC000101707228 700470414 /nfs/dbraw/zinc/47/04/14/700470414.db2.gz JEBAFFYFVDIPEN-VIFPVBQESA-N -1 3 373.352 3.393 20 0 FGADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]Cc1cc(Cl)cc(Cl)c1 ZINC000107483547 700517567 /nfs/dbraw/zinc/51/75/67/700517567.db2.gz NDABJQDAKXPNDI-UHFFFAOYSA-N -1 3 368.673 3.167 20 0 FGADHM CC[C@@H]1CCCN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)CC1 ZINC000117153452 700600592 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COc1ccc([N-]S(=O)(=O)c2ccccc2NCCC(C)(C)O)cc1 ZINC000641500490 717907143 /nfs/dbraw/zinc/90/71/43/717907143.db2.gz TUQJLGBUDKDPSF-UHFFFAOYSA-N -1 3 364.467 3.069 20 0 FGADHM CS[C@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc(Br)cc2F)C1 ZINC000228886192 713574576 /nfs/dbraw/zinc/57/45/76/713574576.db2.gz NVXMMTHEAADFSJ-ZJUUUORDSA-N -1 3 368.293 3.151 20 0 FGADHM CS(=O)(=O)Nc1ccc(/C=C\C(=O)Nc2cc(Cl)ccc2[O-])cc1 ZINC000254965406 713678365 /nfs/dbraw/zinc/67/83/65/713678365.db2.gz JPHDTCVXRWMMKJ-WTKPLQERSA-N -1 3 366.826 3.069 20 0 FGADHM C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000263065559 713735340 /nfs/dbraw/zinc/73/53/40/713735340.db2.gz GECSHLMWDCATFF-ZNMIVQPWSA-N -1 3 366.889 3.483 20 0 FGADHM CN(CCC(=O)[O-])Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000263434033 713746042 /nfs/dbraw/zinc/74/60/42/713746042.db2.gz TXUHPPAHFRPIKU-UHFFFAOYSA-N -1 3 355.257 3.479 20 0 FGADHM Cc1noc(C2CCC([N-]S(=O)(=O)c3cc(F)ccc3Cl)CC2)n1 ZINC000365938586 713860215 /nfs/dbraw/zinc/86/02/15/713860215.db2.gz 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FGADHM Cc1nc([C@H]2CCOC2)sc1C(=O)[N-]c1nnc(-c2ccco2)s1 ZINC000630801169 716509359 /nfs/dbraw/zinc/50/93/59/716509359.db2.gz SRDLLPQKICCYNG-VIFPVBQESA-N -1 3 362.436 3.319 20 0 FGADHM Cc1[n-]ncc1S(=O)(=O)Oc1cc(C)c(Br)c(C)c1C ZINC000796220862 723626939 /nfs/dbraw/zinc/62/69/39/723626939.db2.gz OUBMUJDAZUVPSD-UHFFFAOYSA-N -1 3 359.245 3.174 20 0 FGADHM COC[C@@H]([N-]S(=O)(=O)c1ccc(C(F)F)o1)c1ccc(F)c(F)c1 ZINC000632179689 716736665 /nfs/dbraw/zinc/73/66/65/716736665.db2.gz FOUXNIHHIHVMPL-LLVKDONJSA-N -1 3 367.320 3.161 20 0 FGADHM CC(=O)CCCCC[N-]S(=O)(=O)c1sc(C)cc1Br ZINC000632415523 716772143 /nfs/dbraw/zinc/77/21/43/716772143.db2.gz IHCKERVGVWCTBJ-UHFFFAOYSA-N -1 3 368.318 3.247 20 0 FGADHM COc1cc(C(=O)NCc2ccsc2C(F)(F)F)cc(OC)c1[O-] ZINC000633718066 716975506 /nfs/dbraw/zinc/97/55/06/716975506.db2.gz AOVAYFDPYDKMFV-UHFFFAOYSA-N -1 3 361.341 3.420 20 0 FGADHM O=C(N[C@H]1CCCC12CC2)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000633773256 716992167 /nfs/dbraw/zinc/99/21/67/716992167.db2.gz 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O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)N1CCC[C@@H]1c1cccnc1 ZINC000640293206 717714210 /nfs/dbraw/zinc/71/42/10/717714210.db2.gz UQYIJUBFYPLVSU-GFCCVEGCSA-N -1 3 373.766 3.285 20 0 FGADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)N[C@@H]1CCCc2occc21 ZINC000640292903 717714495 /nfs/dbraw/zinc/71/44/95/717714495.db2.gz PWACYDAVTZVUAB-SNVBAGLBSA-N -1 3 362.739 3.313 20 0 FGADHM Cc1ccsc1CCNC(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000640295687 717715530 /nfs/dbraw/zinc/71/55/30/717715530.db2.gz APWAGELIQNXLHK-UHFFFAOYSA-N -1 3 366.796 3.255 20 0 FGADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)NC1(Cc2ccccc2)CC1 ZINC000640297567 717716119 /nfs/dbraw/zinc/71/61/19/717716119.db2.gz YVTOXFFMXDQIRI-UHFFFAOYSA-N -1 3 372.778 3.418 20 0 FGADHM C[C@H]1[C@H](c2ccccc2)CCN1C(=O)N=c1[n-]n(C)cc1Br ZINC000640311518 717721485 /nfs/dbraw/zinc/72/14/85/717721485.db2.gz PGAXTXBVNFNTAB-WCQYABFASA-N -1 3 363.259 3.014 20 0 FGADHM CC[C@@H]1OCC[C@H]1C(=O)O[C@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000803890259 724479427 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CCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)C[C@H](OC)C(C)C)c1 ZINC000647124689 718332662 /nfs/dbraw/zinc/33/26/62/718332662.db2.gz UUVDYFQAQSFPCG-AWEZNQCLSA-N -1 3 362.879 3.101 20 0 FGADHM CO[C@H]1CCCC[C@H]1S(=O)(=O)[N-]c1ccc(-c2cnc(C)o2)cc1 ZINC000647921265 718387348 /nfs/dbraw/zinc/38/73/48/718387348.db2.gz BOSFTVMABZOIHL-DOTOQJQBSA-N -1 3 350.440 3.349 20 0 FGADHM Cc1cc(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)nn1C(C)(C)C ZINC000648433944 718426592 /nfs/dbraw/zinc/42/65/92/718426592.db2.gz VYLZMUVQYYKHIL-UHFFFAOYSA-N -1 3 363.771 3.033 20 0 FGADHM CC(=O)c1cccc(NC(=O)C[C@H](C)n2cc(Br)cn2)c1[O-] ZINC000648904890 718458285 /nfs/dbraw/zinc/45/82/85/718458285.db2.gz ZJZTUEHTBSKGKX-VIFPVBQESA-N -1 3 366.215 3.144 20 0 FGADHM COC1(C[C@@H](NCc2c(F)cccc2OC(F)(F)F)C(=O)[O-])CCC1 ZINC000649511578 718522837 /nfs/dbraw/zinc/52/28/37/718522837.db2.gz KQDTUKFJDPLVCD-GFCCVEGCSA-N -1 3 365.323 3.226 20 0 FGADHM COC1(C[C@@H](NCc2c(F)cccc2Br)C(=O)[O-])CCC1 ZINC000649512110 718523189 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C[C@@H]([N-]S(=O)(=O)Cc1cc(Cl)sc1Cl)c1csnn1 ZINC000651741219 718858630 /nfs/dbraw/zinc/85/86/30/718858630.db2.gz ASZBVQASRKWEQQ-RXMQYKEDSA-N -1 3 358.297 3.087 20 0 FGADHM Cc1cc(Br)sc1S(=O)(=O)[N-]C[C@H](C)CC(F)F ZINC000651754117 718860675 /nfs/dbraw/zinc/86/06/75/718860675.db2.gz VJOBRXFPRNUHAB-ZCFIWIBFSA-N -1 3 362.261 3.389 20 0 FGADHM C[S@@](=O)Cc1ccc(C[N-]C(=O)C(F)(F)c2c(F)cccc2F)cc1 ZINC000804863637 724558910 /nfs/dbraw/zinc/55/89/10/724558910.db2.gz LVCAGUOMKBEZRY-RUZDIDTESA-N -1 3 373.371 3.252 20 0 FGADHM COCCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C)c2)cc1 ZINC000655556866 719304752 /nfs/dbraw/zinc/30/47/52/719304752.db2.gz OSHROOMRFKPBGB-UHFFFAOYSA-N -1 3 355.843 3.474 20 0 FGADHM COCCOc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C(C)=O)c2)cc1 ZINC000655590389 719310739 /nfs/dbraw/zinc/31/07/39/719310739.db2.gz IJYRUWDSTYEPER-UHFFFAOYSA-N -1 3 363.435 3.024 20 0 FGADHM CO[C@H](CS(=O)(=O)[N-]c1ccc(C(F)(F)F)nc1)C1CCCC1 ZINC000656625576 719423961 /nfs/dbraw/zinc/42/39/61/719423961.db2.gz 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ZINC000777972057 724277346 /nfs/dbraw/zinc/27/73/46/724277346.db2.gz PHZJJXLSSUFMPU-VIFPVBQESA-N -1 3 361.250 3.437 20 0 FGADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]C12CCC(CC1)C2 ZINC000784418256 724851646 /nfs/dbraw/zinc/85/16/46/724851646.db2.gz NZYRCUWPOAJDMM-UHFFFAOYSA-N -1 3 365.476 3.299 20 0 FGADHM Cn1cc([C@H]([N-]C(=O)c2cc(F)c(Cl)nc2Cl)C(F)(F)F)cn1 ZINC000785522015 724919315 /nfs/dbraw/zinc/91/93/15/724919315.db2.gz RLXPMXXCIJFCLC-QMMMGPOBSA-N -1 3 371.121 3.294 20 0 FGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCC[C@H](C)CC2)ccc1F ZINC000785637719 724927463 /nfs/dbraw/zinc/92/74/63/724927463.db2.gz LDZLEYFEPLJUOA-DZGCQCFKSA-N -1 3 370.490 3.211 20 0 FGADHM COC(=O)c1ccc(OCCOC(=O)c2cc3occc3[n-]2)c(Cl)c1 ZINC000786030971 724955000 /nfs/dbraw/zinc/95/50/00/724955000.db2.gz KZGVFSYFTNWWLW-UHFFFAOYSA-N -1 3 363.753 3.437 20 0 FGADHM C[C@@H](OC(=O)c1cc2sccc2c([O-])c1)C(=O)NCc1ccccc1 ZINC000786131300 724962083 /nfs/dbraw/zinc/96/20/83/724962083.db2.gz OWIOKRRQTSVINN-GFCCVEGCSA-N -1 3 355.415 3.469 20 0 FGADHM Cc1cnc(Cl)c([N-]S(=O)(=O)c2ccc3c(c2)N(C)CCC3)c1 ZINC000786881730 725005236 /nfs/dbraw/zinc/00/52/36/725005236.db2.gz YDBIKOSQXPYGAK-UHFFFAOYSA-N -1 3 351.859 3.227 20 0 FGADHM CSc1cccc(F)c1C[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000805098781 725049558 /nfs/dbraw/zinc/04/95/58/725049558.db2.gz MFNVUNPQJFYDQT-UHFFFAOYSA-N -1 3 364.826 3.214 20 0 FGADHM COC(=O)c1sc(S(=O)(=O)[N-]C[C@H]2CC=CCC2)c(C)c1Cl ZINC000788606782 725075379 /nfs/dbraw/zinc/07/53/79/725075379.db2.gz QGOXJOCTPPVKMF-JTQLQIEISA-N -1 3 363.888 3.131 20 0 FGADHM COCC[C@H]([N-]S(=O)(=O)c1ccc(C)nc1Cl)c1ccc(C)o1 ZINC000788656776 725078891 /nfs/dbraw/zinc/07/88/91/725078891.db2.gz AJGYNJJMDPKRPQ-LBPRGKRZSA-N -1 3 358.847 3.001 20 0 FGADHM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@H](C(C)(C)C)C[C@@H]2C)ccc1F ZINC000807885826 725174657 /nfs/dbraw/zinc/17/46/57/725174657.db2.gz KMPQIZIIPYSQDE-GXTWGEPZSA-N -1 3 370.490 3.021 20 0 FGADHM C[C@H](c1ccc(F)c(F)c1)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000810065858 725285852 /nfs/dbraw/zinc/28/58/52/725285852.db2.gz FNUQLZMMKDDJHC-MNOVXSKESA-N -1 3 350.331 3.416 20 0 FGADHM CC(C)(C)N1CC[C@@](F)(C(=O)[N-]OCc2ccc(C(F)(F)F)cc2)C1 ZINC000810648253 725319729 /nfs/dbraw/zinc/31/97/29/725319729.db2.gz ZRHDSTZROFAGJU-INIZCTEOSA-N -1 3 362.367 3.466 20 0 FGADHM Cc1ccc2sc(C(=O)OCC(=O)[N-]C(=O)c3cccs3)cc2c1 ZINC000811348362 725358800 /nfs/dbraw/zinc/35/88/00/725358800.db2.gz ZIKCLEGPJKXHHM-UHFFFAOYSA-N -1 3 359.428 3.385 20 0 FGADHM O=C(Nc1ccc(F)c(N2CCOC2=O)c1)c1cc([O-])ccc1Cl ZINC000811481338 725368586 /nfs/dbraw/zinc/36/85/86/725368586.db2.gz XQGLVYZYHHWPOD-UHFFFAOYSA-N -1 3 350.733 3.394 20 0 FGADHM O=S(=O)(CCc1cccs1)[N-]c1c(F)cccc1-n1cccn1 ZINC000811682801 725376711 /nfs/dbraw/zinc/37/67/11/725376711.db2.gz HPGPNYCYXNRXBU-UHFFFAOYSA-N -1 3 351.428 3.057 20 0 FGADHM Cn1c(=O)n(C)c2cc(NC(=S)Nc3ccccc3Cl)c([O-])cc21 ZINC000811720839 725378194 /nfs/dbraw/zinc/37/81/94/725378194.db2.gz FNZQKBNHKSOAQD-UHFFFAOYSA-N -1 3 362.842 3.045 20 0 FGADHM Cc1cc(=O)[n-]c(CSCC(=O)NC[C@H](c2ccccc2)C(C)C)n1 ZINC000811807071 725380939 /nfs/dbraw/zinc/38/09/39/725380939.db2.gz NMJAOQMOXXSFAQ-INIZCTEOSA-N -1 3 359.495 3.280 20 0 FGADHM O=C([N-]C[C@@H]1CCCN(c2ccnc3cc(F)ccc32)C1)C(F)(F)F ZINC000811856688 725383128 /nfs/dbraw/zinc/38/31/28/725383128.db2.gz TUMAYAWVMGDEEY-NSHDSACASA-N -1 3 355.335 3.269 20 0 FGADHM CC(C)OCCO[N-]C(=O)Cc1ccc(Cl)cc1Br ZINC000812802100 726813565 /nfs/dbraw/zinc/81/35/65/726813565.db2.gz YHFSSMCYLJSOFN-UHFFFAOYSA-N -1 3 350.640 3.118 20 0 FGADHM COC(=O)CCSc1ncccc1[N-]C(=O)c1nc(Cl)sc1C ZINC000813516189 726888396 /nfs/dbraw/zinc/88/83/96/726888396.db2.gz UGQPPOVBBQNGTN-UHFFFAOYSA-N -1 3 371.871 3.407 20 0 FGADHM COC(=O)/C=C\c1ccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2F)cc1 ZINC000814212059 726948014 /nfs/dbraw/zinc/94/80/14/726948014.db2.gz BWUNYNMJCPDSHH-DAXSKMNVSA-N -1 3 371.336 3.091 20 0 FGADHM COC(=O)c1cc(C(=O)OCc2cc(Br)ccc2F)c[n-]1 ZINC000814530120 726978461 /nfs/dbraw/zinc/97/84/61/726978461.db2.gz GIOSXBYDYUJKQI-UHFFFAOYSA-N -1 3 356.147 3.060 20 0 FGADHM COC(=O)c1cc(C(=O)OCc2ccc(F)c(Br)c2)c[n-]1 ZINC000814532725 726978774 /nfs/dbraw/zinc/97/87/74/726978774.db2.gz BGGDIBUBSKXWQU-UHFFFAOYSA-N -1 3 356.147 3.060 20 0 FGADHM CCOC(=O)c1ncc(NC(=O)c2cc(Br)c(CC)s2)[n-]1 ZINC000816478107 727166326 /nfs/dbraw/zinc/16/63/26/727166326.db2.gz UREPLIRCMMDLEC-UHFFFAOYSA-N -1 3 372.244 3.225 20 0 FGADHM CCOC(=O)c1nc(NC(=O)c2cc(Br)c(CC)s2)c[n-]1 ZINC000816478107 727166329 /nfs/dbraw/zinc/16/63/29/727166329.db2.gz UREPLIRCMMDLEC-UHFFFAOYSA-N -1 3 372.244 3.225 20 0 FGADHM CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)c1cc([O-])ccc1Cl ZINC000816909999 727204906 /nfs/dbraw/zinc/20/49/06/727204906.db2.gz ONSUDFZCQMBUGD-QWRGUYRKSA-N -1 3 372.824 3.123 20 0 FGADHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)Oc1cccc(Cl)c1 ZINC000820004763 728960704 /nfs/dbraw/zinc/96/07/04/728960704.db2.gz BGCFRLLTPBSFES-UHFFFAOYSA-N -1 3 358.785 3.283 20 0 FGADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Oc1cccc(Cl)c1 ZINC000820004763 728960706 /nfs/dbraw/zinc/96/07/06/728960706.db2.gz BGCFRLLTPBSFES-UHFFFAOYSA-N -1 3 358.785 3.283 20 0 FGADHM O=C(Nc1c([O-])cccc1Cl)[C@H]1CC(c2cc(F)ccc2F)=NO1 ZINC000820510810 729000592 /nfs/dbraw/zinc/00/05/92/729000592.db2.gz RYHASTYVEBZOKA-CQSZACIVSA-N -1 3 352.724 3.456 20 0 FGADHM Cc1cc(C)cc([C@H](O)CSc2nc(C)cc(C)c2-c2nnn[n-]2)c1 ZINC000822196479 729153540 /nfs/dbraw/zinc/15/35/40/729153540.db2.gz KYVAAMDEZSFCEG-OAHLLOKOSA-N -1 3 355.467 3.321 20 0 FGADHM Cc1cc(C)cc([C@H](O)CSc2nc(C)cc(C)c2-c2nn[n-]n2)c1 ZINC000822196479 729153541 /nfs/dbraw/zinc/15/35/41/729153541.db2.gz KYVAAMDEZSFCEG-OAHLLOKOSA-N -1 3 355.467 3.321 20 0 FGADHM O=C([N-]c1cc(N2CCCC2=O)ccc1F)c1conc1C(F)(F)F ZINC000822868435 729226915 /nfs/dbraw/zinc/22/69/15/729226915.db2.gz JCANCZWBGXKQLZ-UHFFFAOYSA-N -1 3 357.263 3.212 20 0 FGADHM O=C(CSc1ccccc1Cl)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000823070719 729249531 /nfs/dbraw/zinc/24/95/31/729249531.db2.gz KWVAKKHJDGZUOA-UHFFFAOYSA-N -1 3 363.805 3.390 20 0 FGADHM O=C(CSc1ccccc1Cl)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000823070719 729249534 /nfs/dbraw/zinc/24/95/34/729249534.db2.gz KWVAKKHJDGZUOA-UHFFFAOYSA-N -1 3 363.805 3.390 20 0 FGADHM Brc1ccc(N2CCOc3ccccc3C2)c(-c2nnn[n-]2)c1 ZINC000823831823 729307588 /nfs/dbraw/zinc/30/75/88/729307588.db2.gz DTDITDPECCBWIM-UHFFFAOYSA-N -1 3 372.226 3.028 20 0 FGADHM Brc1ccc(N2CCOc3ccccc3C2)c(-c2nn[n-]n2)c1 ZINC000823831823 729307590 /nfs/dbraw/zinc/30/75/90/729307590.db2.gz DTDITDPECCBWIM-UHFFFAOYSA-N -1 3 372.226 3.028 20 0 FGADHM CC(C)(C)c1noc(CSc2cccc(Cl)c2-c2nnn[n-]2)n1 ZINC000824142003 729321081 /nfs/dbraw/zinc/32/10/81/729321081.db2.gz QTGYACOWVDHWJR-UHFFFAOYSA-N -1 3 350.835 3.493 20 0 FGADHM CC(C)(C)c1noc(CSc2cccc(Cl)c2-c2nn[n-]n2)n1 ZINC000824142003 729321082 /nfs/dbraw/zinc/32/10/82/729321082.db2.gz QTGYACOWVDHWJR-UHFFFAOYSA-N -1 3 350.835 3.493 20 0 FGADHM C[C@H](CNc1nc2ccccn2c1-c1nnn[n-]1)Sc1ccccc1 ZINC000824436189 729338287 /nfs/dbraw/zinc/33/82/87/729338287.db2.gz QFWBATSGMAFOMC-GFCCVEGCSA-N -1 3 351.439 3.107 20 0 FGADHM C[C@H](CNc1nc2ccccn2c1-c1nn[n-]n1)Sc1ccccc1 ZINC000824436189 729338290 /nfs/dbraw/zinc/33/82/90/729338290.db2.gz QFWBATSGMAFOMC-GFCCVEGCSA-N -1 3 351.439 3.107 20 0 FGADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)CCSc1nc3ccccc3s1)C2 ZINC000825028068 729368346 /nfs/dbraw/zinc/36/83/46/729368346.db2.gz HTRMZBILEOQXOA-UHFFFAOYSA-N -1 3 372.475 3.125 20 0 FGADHM CCCCCC(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000825268833 729376233 /nfs/dbraw/zinc/37/62/33/729376233.db2.gz ZTAWKHGICFZWKT-UHFFFAOYSA-N -1 3 359.821 3.225 20 0 FGADHM CCCCCC(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000825268833 729376234 /nfs/dbraw/zinc/37/62/34/729376234.db2.gz ZTAWKHGICFZWKT-UHFFFAOYSA-N -1 3 359.821 3.225 20 0 FGADHM CSc1ccc([O-])c(C(=O)N[C@@H](C)c2ccc3c(c2)CC(=O)N3C)c1 ZINC000825916580 729399294 /nfs/dbraw/zinc/39/92/94/729399294.db2.gz QHJQDIKHZBEFBB-NSHDSACASA-N -1 3 356.447 3.124 20 0 FGADHM CS[C@@H]1CC[C@@H](Nc2ccc(Br)cc2-c2nnn[n-]2)C1 ZINC000826226733 729406363 /nfs/dbraw/zinc/40/63/63/729406363.db2.gz FMWUECDTLYLJQQ-NXEZZACHSA-N -1 3 354.277 3.325 20 0 FGADHM CS[C@@H]1CC[C@@H](Nc2ccc(Br)cc2-c2nn[n-]n2)C1 ZINC000826226733 729406364 /nfs/dbraw/zinc/40/63/64/729406364.db2.gz FMWUECDTLYLJQQ-NXEZZACHSA-N -1 3 354.277 3.325 20 0 FGADHM C[S@](=O)Cc1cc(NCc2ccc(-c3nnn[n-]3)cc2)ccc1Cl ZINC000826224439 729406372 /nfs/dbraw/zinc/40/63/72/729406372.db2.gz DJTJCMXMBZDMCA-DEOSSOPVSA-N -1 3 361.858 3.011 20 0 FGADHM C[S@](=O)Cc1cc(NCc2ccc(-c3nn[n-]n3)cc2)ccc1Cl ZINC000826224439 729406373 /nfs/dbraw/zinc/40/63/73/729406373.db2.gz DJTJCMXMBZDMCA-DEOSSOPVSA-N -1 3 361.858 3.011 20 0 FGADHM Cc1c(Cl)cnc(N(C)Cc2cc(F)c(F)c(F)c2)c1-c1nnn[n-]1 ZINC000826237007 729406378 /nfs/dbraw/zinc/40/63/78/729406378.db2.gz KXEQPICHTDYEEW-UHFFFAOYSA-N -1 3 368.750 3.277 20 0 FGADHM Cc1c(Cl)cnc(N(C)Cc2cc(F)c(F)c(F)c2)c1-c1nn[n-]n1 ZINC000826237007 729406379 /nfs/dbraw/zinc/40/63/79/729406379.db2.gz KXEQPICHTDYEEW-UHFFFAOYSA-N -1 3 368.750 3.277 20 0 FGADHM Cc1ccnc(N[C@@H](C)Cc2nc3ccccc3s2)c1-c1nnn[n-]1 ZINC000826311439 729407180 /nfs/dbraw/zinc/40/71/80/729407180.db2.gz FBEZPDHDCWBCMH-NSHDSACASA-N -1 3 351.439 3.223 20 0 FGADHM Cc1ccnc(N[C@@H](C)Cc2nc3ccccc3s2)c1-c1nn[n-]n1 ZINC000826311439 729407181 /nfs/dbraw/zinc/40/71/81/729407181.db2.gz FBEZPDHDCWBCMH-NSHDSACASA-N -1 3 351.439 3.223 20 0 FGADHM Clc1cccc(SCc2ccc(-n3ccnc3)nc2)c1-c1nnn[n-]1 ZINC000826353421 729407317 /nfs/dbraw/zinc/40/73/17/729407317.db2.gz OITNIADTAQMYFQ-UHFFFAOYSA-N -1 3 369.841 3.393 20 0 FGADHM Clc1cccc(SCc2ccc(-n3ccnc3)nc2)c1-c1nn[n-]n1 ZINC000826353421 729407318 /nfs/dbraw/zinc/40/73/18/729407318.db2.gz OITNIADTAQMYFQ-UHFFFAOYSA-N -1 3 369.841 3.393 20 0 FGADHM Clc1cc(N2CC[C@@H](COc3ccccc3)C2)ccc1-c1nnn[n-]1 ZINC000826350542 729407386 /nfs/dbraw/zinc/40/73/86/729407386.db2.gz APNUZIHKZCJXSG-CYBMUJFWSA-N -1 3 355.829 3.425 20 0 FGADHM Clc1cc(N2CC[C@@H](COc3ccccc3)C2)ccc1-c1nn[n-]n1 ZINC000826350542 729407388 /nfs/dbraw/zinc/40/73/88/729407388.db2.gz APNUZIHKZCJXSG-CYBMUJFWSA-N -1 3 355.829 3.425 20 0 FGADHM CC1(C)CCC[C@H]1[C@@H]1CCN(C(=O)NCc2nc(C(F)(F)F)n[n-]2)C1 ZINC000826947141 729419734 /nfs/dbraw/zinc/41/97/34/729419734.db2.gz SASQGRISLFVWHG-MNOVXSKESA-N -1 3 359.396 3.181 20 0 FGADHM CCS(=O)(=O)N(C)c1ccc(NCc2c(F)ccc([O-])c2F)cc1 ZINC000827401464 729429769 /nfs/dbraw/zinc/42/97/69/729429769.db2.gz XDTAJIGIGQOBEB-UHFFFAOYSA-N -1 3 356.394 3.068 20 0 FGADHM CSc1ccc(CCC(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)cc1 ZINC000828209913 729441140 /nfs/dbraw/zinc/44/11/40/729441140.db2.gz NFFOSNNIHVVIJC-UHFFFAOYSA-N -1 3 357.479 3.421 20 0 FGADHM O=S(=O)([N-]c1ccc(N2CCOCC2)cc1)c1ccc(C2CC2)cc1 ZINC000829609466 729494929 /nfs/dbraw/zinc/49/49/29/729494929.db2.gz IFRSZMRHRFUMKH-UHFFFAOYSA-N -1 3 358.463 3.201 20 0 FGADHM Cc1c([N-]S(=O)(=O)/C=C\c2ccccc2F)cnn1C1CCOCC1 ZINC000830028115 729531455 /nfs/dbraw/zinc/53/14/55/729531455.db2.gz FEGJHCJZROAXOD-FLIBITNWSA-N -1 3 365.430 3.095 20 0 FGADHM CC(=O)c1cc(F)c([O-])c(NC(=O)C(C[C@@H]2CCCO2)C(F)(F)F)c1 ZINC000830331565 729550712 /nfs/dbraw/zinc/55/07/12/729550712.db2.gz GKTWDNSJVJHBCK-QWRGUYRKSA-N -1 3 363.307 3.420 20 0 FGADHM CC(C)c1nn(C)c(Cl)c1C(=O)[N-]c1nnc([C@H]2CCCO2)s1 ZINC000830425055 729557428 /nfs/dbraw/zinc/55/74/28/729557428.db2.gz OIYMOIONFQLBPF-MRVPVSSYSA-N -1 3 355.851 3.152 20 0 FGADHM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]2CCCC2(F)F)c1 ZINC000832186816 729695548 /nfs/dbraw/zinc/69/55/48/729695548.db2.gz HCFBAXMPDQTXSX-NSHDSACASA-N -1 3 351.802 3.256 20 0 FGADHM CC(C)[C@@H](CO)O[N-]C(=O)Nc1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC000836490614 729957646 /nfs/dbraw/zinc/95/76/46/729957646.db2.gz HNJIVLBHUZZQGY-CYBMUJFWSA-N -1 3 373.240 3.249 20 0 FGADHM O=C([N-]C[C@H]1CCCN(C(=O)NCC2CCCCCC2)C1)C(F)(F)F ZINC000836596123 729961857 /nfs/dbraw/zinc/96/18/57/729961857.db2.gz BCXJBSWXWZQTES-CQSZACIVSA-N -1 3 363.424 3.057 20 0 FGADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1nc2c(s1)CCCCCC2 ZINC000836597656 729961939 /nfs/dbraw/zinc/96/19/39/729961939.db2.gz FVLOLURSRBKFHX-UHFFFAOYSA-N -1 3 355.460 3.197 20 0 FGADHM CC(C)[C@H](CO)O[N-]C(=O)C[C@H](C)c1ccc(F)c(Br)c1 ZINC000836895149 729973351 /nfs/dbraw/zinc/97/33/51/729973351.db2.gz RWIMRVNHGSQGHV-HZMBPMFUSA-N -1 3 362.239 3.147 20 0 FGADHM CC(C)[C@@H](OC(=O)Cc1ccc([O-])c(F)c1)C(=O)N1CCCC[C@@H]1C ZINC000838143065 730093364 /nfs/dbraw/zinc/09/33/64/730093364.db2.gz RKIJVKAVLQADMH-SCLBCKFNSA-N -1 3 351.418 3.043 20 0 FGADHM CC(C)(C)OC(=O)N1CCC[C@H]1COC(=O)Cc1ccc([O-])c(F)c1 ZINC000838143825 730093499 /nfs/dbraw/zinc/09/34/99/730093499.db2.gz ZIGBDGXRJLPHEB-ZDUSSCGKSA-N -1 3 353.390 3.017 20 0 FGADHM Cc1sc2[n-]c([C@H](C)OC(=O)[C@@H]3C[C@H]4CC(=O)[C@@H]3C4)nc(=O)c2c1C ZINC000838448478 730121403 /nfs/dbraw/zinc/12/14/03/730121403.db2.gz LDYXGSVCCLXUPQ-OHBODLIOSA-N -1 3 360.435 3.233 20 0 FGADHM Cc1ccc(N2CC[C@H](SCc3cc(=O)[n-]c(C4CC4)n3)C2=O)cc1 ZINC000842193979 730307324 /nfs/dbraw/zinc/30/73/24/730307324.db2.gz MJIJGWKYWRNBLN-INIZCTEOSA-N -1 3 355.463 3.407 20 0 FGADHM O=C([N-]CC1CCN(C(=O)[C@@H]2CCCC[C@H]2C2CC2)CC1)C(F)(F)F ZINC000843877098 730662860 /nfs/dbraw/zinc/66/28/60/730662860.db2.gz ZFQRUGMPWAUKMW-LSDHHAIUSA-N -1 3 360.420 3.120 20 0 FGADHM CC(=O)c1cccc(NC(=O)CC[C@@H](C)NC(=O)OC(C)(C)C)c1[O-] ZINC000843889830 730663775 /nfs/dbraw/zinc/66/37/75/730663775.db2.gz QDNJIJKYFDZHLV-LLVKDONJSA-N -1 3 350.415 3.227 20 0 FGADHM CCn1c(C)cc(C(=O)COC(=O)c2ccc(N)c(Cl)c2[O-])c1C ZINC000845194524 730818561 /nfs/dbraw/zinc/81/85/61/730818561.db2.gz ZGHWYFMEHDLRRC-UHFFFAOYSA-N -1 3 350.802 3.106 20 0 FGADHM C[C@@]1(CC[N-]S(=O)(=O)c2c(Cl)nc3sccn32)C[C@]1(F)Cl ZINC000845979463 730914908 /nfs/dbraw/zinc/91/49/08/730914908.db2.gz HKUAXYOGGGMCIL-GHMZBOCLSA-N -1 3 372.274 3.032 20 0 FGADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1cnn(-c2ccccc2)c1C(F)F ZINC000847205996 731033107 /nfs/dbraw/zinc/03/31/07/731033107.db2.gz RLWVAIHFUVGQSZ-CYBMUJFWSA-N -1 3 352.341 3.390 20 0 FGADHM O=C([N-]O[C@@H]1CCCCO1)Nc1cnn(-c2ccccc2)c1C(F)F ZINC000847205996 731033112 /nfs/dbraw/zinc/03/31/12/731033112.db2.gz RLWVAIHFUVGQSZ-CYBMUJFWSA-N -1 3 352.341 3.390 20 0 FGADHM CC(C)(C)OC(=O)N1CC(OCCC(=O)Nc2c([O-])cccc2Cl)C1 ZINC000848140018 731134278 /nfs/dbraw/zinc/13/42/78/731134278.db2.gz IVZNJMWXLFZIBP-UHFFFAOYSA-N -1 3 370.833 3.010 20 0 FGADHM O=S(=O)([N-][C@@H](C[C@@H]1CCCO1)C(F)(F)F)c1cccc2ncccc21 ZINC000848508945 731172832 /nfs/dbraw/zinc/17/28/32/731172832.db2.gz GCEWVXOQWKCTKI-NHYWBVRUSA-N -1 3 374.384 3.013 20 0 FGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2COC3(CCC3)C2)c1Cl ZINC000849450126 731260447 /nfs/dbraw/zinc/26/04/47/731260447.db2.gz VVRZVWZLCHQWGY-JTQLQIEISA-N -1 3 350.267 3.292 20 0 FGADHM COc1cccc(SCCOC(=O)c2cc(OC)c([O-])c(OC)c2)c1 ZINC000849747200 731278916 /nfs/dbraw/zinc/27/89/16/731278916.db2.gz IQCSBALJKTXAKJ-UHFFFAOYSA-N -1 3 364.419 3.367 20 0 FGADHM CO[C@H](C(=O)O[C@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1)C1CCC1 ZINC000850173690 731328934 /nfs/dbraw/zinc/32/89/34/731328934.db2.gz MFSSGIPRIUYLOD-RNCFNFMXSA-N -1 3 350.440 3.433 20 0 FGADHM Cc1cc(=O)[n-]c(C(C)(C)NCc2cccc(C(=O)C(F)(F)F)c2)n1 ZINC000852145540 731547720 /nfs/dbraw/zinc/54/77/20/731547720.db2.gz QJEIOJXSXPDNGM-UHFFFAOYSA-N -1 3 353.344 3.261 20 0 FGADHM C[C@@H](CO)[C@@H]1CCCCN1Cc1cc(=O)oc2cc([O-])c(Cl)cc12 ZINC000852426365 731582441 /nfs/dbraw/zinc/58/24/41/731582441.db2.gz PPACLJXCEMQLGQ-NHYWBVRUSA-N -1 3 351.830 3.135 20 0 FGADHM O=C([O-])C1=CC[C@H](NCc2cc(OC(F)F)ccc2Br)C1 ZINC000853038105 731653466 /nfs/dbraw/zinc/65/34/66/731653466.db2.gz PKDXFHBQAPSMIN-JTQLQIEISA-N -1 3 362.170 3.314 20 0 FGADHM Cc1cccc(Cl)c1C(=O)N[C@@H](C)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000854456469 731830946 /nfs/dbraw/zinc/83/09/46/731830946.db2.gz UYLLCWPKHDUKFI-RYUDHWBXSA-N -1 3 361.829 3.142 20 0 FGADHM CSc1ccc([O-])c(C(=O)N[C@H](C)[C@@H](C)NC(=O)OC(C)(C)C)c1 ZINC000854748380 731858900 /nfs/dbraw/zinc/85/89/00/731858900.db2.gz KVGWGDQYUUWJFI-GHMZBOCLSA-N -1 3 354.472 3.146 20 0 FGADHM CSc1ccc([O-])c(C(=O)N2CC[C@](C)(C(=O)OC(C)(C)C)C2)c1 ZINC000854901923 731873277 /nfs/dbraw/zinc/87/32/77/731873277.db2.gz APTBGKLBAKUQEO-SFHVURJKSA-N -1 3 351.468 3.308 20 0 FGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc2c(c1)[C@@H](O)CCCC2 ZINC000855548809 731937164 /nfs/dbraw/zinc/93/71/64/731937164.db2.gz PWIRYCPVNLLXQD-AWEZNQCLSA-N -1 3 359.451 3.225 20 0 FGADHM CC[C@@H]1CCC[C@H](C)N1C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000856272059 732002035 /nfs/dbraw/zinc/00/20/35/732002035.db2.gz FSLMPTDSAVLFRP-DZGCQCFKSA-N -1 3 370.490 3.306 20 0 FGADHM CN(C[C@](C)(O)c1ccccc1)C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000857292351 732118057 /nfs/dbraw/zinc/11/80/57/732118057.db2.gz CGRVJZPWBTYXEW-KRWDZBQOSA-N -1 3 353.340 3.391 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)C[C@H](O)c2cccs2)c(F)c1F ZINC000859077126 732274951 /nfs/dbraw/zinc/27/49/51/732274951.db2.gz NILJAUVVKSQKHV-QWRGUYRKSA-N -1 3 361.435 3.125 20 0 FGADHM COC(=O)c1cc(S(=O)(=O)[N-]CC2CC=CC2)c(Cl)cc1Cl ZINC000859275123 732301972 /nfs/dbraw/zinc/30/19/72/732301972.db2.gz APGILTQYYKNFNY-UHFFFAOYSA-N -1 3 364.250 3.025 20 0 FGADHM Cc1cc(=O)[n-]c(CN[C@H](C)c2cc(F)c(Br)cc2F)n1 ZINC000859507272 732340929 /nfs/dbraw/zinc/34/09/29/732340929.db2.gz HZIZOJGCVKUZRQ-MRVPVSSYSA-N -1 3 358.186 3.382 20 0 FGADHM C[C@@]1(Br)C[C@H]1C(=O)OCc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000860120716 732457100 /nfs/dbraw/zinc/45/71/00/732457100.db2.gz GIERFABFRYGZFO-BLLLJJGKSA-N -1 3 363.211 3.066 20 0 FGADHM CCSc1ccc(CC(=O)[N-]OC[C@H]2CCOC2)c(Br)c1 ZINC000861248801 732648170 /nfs/dbraw/zinc/64/81/70/732648170.db2.gz SYPKBVPKZGVCDY-NSHDSACASA-N -1 3 374.300 3.188 20 0 FGADHM COc1cnc(F)c([N-]S(=O)(=O)c2cc(C(C)C)c(OC)cc2C)c1 ZINC000863449452 732964634 /nfs/dbraw/zinc/96/46/34/732964634.db2.gz IRQTXUINWXELOX-UHFFFAOYSA-N -1 3 368.430 3.471 20 0 FGADHM COC(=O)c1cccnc1SCc1cc(=O)oc2c(C)c([O-])ccc12 ZINC000863931838 733017214 /nfs/dbraw/zinc/01/72/14/733017214.db2.gz XCANCRPJUFTBOF-UHFFFAOYSA-N -1 3 357.387 3.281 20 0 FGADHM Cn1ccc(-c2nc(-c3nc(=O)c4c5c(sc4[n-]3)CCC5)cs2)n1 ZINC000864357401 733049457 /nfs/dbraw/zinc/04/94/57/733049457.db2.gz XYOGRUOZHUIFFM-UHFFFAOYSA-N -1 3 355.448 3.410 20 0 FGADHM O=C([O-])[C@@H](CCNCc1cccnc1Br)Cc1ccccc1 ZINC000864505325 733067907 /nfs/dbraw/zinc/06/79/07/733067907.db2.gz HWUFHHSRZDUQOI-AWEZNQCLSA-N -1 3 363.255 3.267 20 0 FGADHM CCc1nc(CN[C@@H](Cc2ccc(OC(F)(F)F)cc2)C(=O)[O-])cs1 ZINC000864526999 733072862 /nfs/dbraw/zinc/07/28/62/733072862.db2.gz AAGMKLNYKMOLMY-ZDUSSCGKSA-N -1 3 374.384 3.390 20 0 FGADHM CCOc1cc(F)cc(CNc2ccc(OC)c([N-]S(C)(=O)=O)c2)c1 ZINC000865496571 733213517 /nfs/dbraw/zinc/21/35/17/733213517.db2.gz BODSRNPFZUZFRC-UHFFFAOYSA-N -1 3 368.430 3.217 20 0 FGADHM O=c1[n-]c(CNCc2ccc(-c3cccs3)cc2)nc2c1COCC2 ZINC000865866571 733283844 /nfs/dbraw/zinc/28/38/44/733283844.db2.gz QHXBBTXXTWLAEZ-UHFFFAOYSA-N -1 3 353.447 3.273 20 0 FGADHM O=c1[n-]c(CN[C@H]2CCc3cc(Cl)cc(Cl)c32)nc2c1COCC2 ZINC000866628440 733376634 /nfs/dbraw/zinc/37/66/34/733376634.db2.gz JFWDLZQSKWIYRJ-AWEZNQCLSA-N -1 3 366.248 3.339 20 0 FGADHM O=C(NCC[C@@H]1CCSC1)NCc1ccc([O-])c(Br)c1 ZINC000868828994 733649808 /nfs/dbraw/zinc/64/98/08/733649808.db2.gz GVINDKKFZLLRTK-SNVBAGLBSA-N -1 3 359.289 3.097 20 0 FGADHM O=C(CCCc1nc2ccccc2c(=O)[nH]1)[N-]OCCCC(F)(F)F ZINC000871210713 733922850 /nfs/dbraw/zinc/92/28/50/733922850.db2.gz WWCAWSRDWHTMBP-UHFFFAOYSA-N -1 3 357.332 3.048 20 0 FGADHM CCCC[C@H](NCc1cccc(F)c1I)C(=O)[O-] ZINC000871877914 735559050 /nfs/dbraw/zinc/55/90/50/735559050.db2.gz YXWJEFOCCBDEBN-NSHDSACASA-N -1 3 365.186 3.163 20 0 FGADHM O=C1[N-][C@@H](c2cccc(C(F)(F)F)c2)C(=O)N1OCCC(F)(F)F ZINC000871899808 735563670 /nfs/dbraw/zinc/56/36/70/735563670.db2.gz LEDWOPFWOHYKGE-VIFPVBQESA-N -1 3 356.222 3.182 20 0 FGADHM O=C([O-])[C@]12CCC[C@H]1N(Cc1nc3cc(Br)ccc3[nH]1)CC2 ZINC000872167931 735598908 /nfs/dbraw/zinc/59/89/08/735598908.db2.gz MJBPXQYQPCXANW-CJNGLKHVSA-N -1 3 364.243 3.155 20 0 FGADHM CCS(=O)(CC)=NS(=O)(=O)[N-]c1ccc(COC2CCCC2)cc1 ZINC000872355274 735618681 /nfs/dbraw/zinc/61/86/81/735618681.db2.gz REXCFWAPUOBLRI-UHFFFAOYSA-N -1 3 374.528 3.310 20 0 FGADHM Cc1noc(C(F)(F)F)c1C(=O)[N-]c1ccc(C(=O)N(C)C)cc1F ZINC000876313637 736076640 /nfs/dbraw/zinc/07/66/40/736076640.db2.gz SYBJWCOGSANLAL-UHFFFAOYSA-N -1 3 359.279 3.095 20 0 FGADHM O=c1[n-]c(CN(Cc2ccccc2Cl)CC2CC2)nc2c1COCC2 ZINC000878602783 736898510 /nfs/dbraw/zinc/89/85/10/736898510.db2.gz GLOMHTUAJCXTIB-UHFFFAOYSA-N -1 3 359.857 3.321 20 0 FGADHM C[C@H](NCc1nnc(-c2ccccc2[O-])o1)[C@H]1OCCc2sccc21 ZINC000878647476 736904153 /nfs/dbraw/zinc/90/41/53/736904153.db2.gz NUZKPGXFFLFPMV-APPDUMDISA-N -1 3 357.435 3.296 20 0 FGADHM Cc1nc(C2([N-]S(=O)(=O)CC=C(Cl)Cl)CCCCCC2)no1 ZINC000881782701 737382084 /nfs/dbraw/zinc/38/20/84/737382084.db2.gz IYHYVOBKFDGJJG-UHFFFAOYSA-N -1 3 368.286 3.166 20 0 FGADHM O=C(OCc1nnc(-c2ccccc2[O-])o1)[C@H]1CC[C@H](C(F)(F)F)C1 ZINC000884502614 737670803 /nfs/dbraw/zinc/67/08/03/737670803.db2.gz OPAMSBGKJUQDQV-UWVGGRQHSA-N -1 3 356.300 3.464 20 0 FGADHM O=C(CC[C@H]1CC1(Cl)Cl)OCc1nnc(-c2ccccc2[O-])o1 ZINC000884575228 737678543 /nfs/dbraw/zinc/67/85/43/737678543.db2.gz FDQBKHQRSPPBKP-VIFPVBQESA-N -1 3 357.193 3.459 20 0 FGADHM CC1(C)CCC[C@H](CS(=O)(=O)[N-]Cc2ncc(-c3ccccc3)o2)O1 ZINC000884936908 737715107 /nfs/dbraw/zinc/71/51/07/737715107.db2.gz SFDIWOGDNJJDKG-OAHLLOKOSA-N -1 3 364.467 3.109 20 0 FGADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCC(CO)(C(F)(F)F)CC1 ZINC000885006145 737724774 /nfs/dbraw/zinc/72/47/74/737724774.db2.gz XRDDOMGCMSBIOW-UHFFFAOYSA-N -1 3 363.351 3.017 20 0 FGADHM COCCOCCOc1cccc(NC(=O)c2cc([O-])ccc2Cl)c1 ZINC000885589717 739171240 /nfs/dbraw/zinc/17/12/40/739171240.db2.gz RWEFPMIKZHYKMG-UHFFFAOYSA-N -1 3 365.813 3.340 20 0 FGADHM CC(C)Oc1ccc(NC(=O)NCc2cc(=O)[n-]c(=S)[nH]2)cc1Cl ZINC000887643901 739406958 /nfs/dbraw/zinc/40/69/58/739406958.db2.gz HFVALROFEGQCLZ-UHFFFAOYSA-N -1 3 368.846 3.233 20 0 FGADHM Cc1sc(CC(=O)Nc2cc(C(=O)OC(C)C)n[n-]2)nc1C(C)C ZINC000888118810 739472088 /nfs/dbraw/zinc/47/20/88/739472088.db2.gz JFRVHICBPDMFJS-UHFFFAOYSA-N -1 3 350.444 3.044 20 0 FGADHM Cc1sc(CC(=O)Nc2cc(C(=O)OC(C)C)[n-]n2)nc1C(C)C ZINC000888118810 739472091 /nfs/dbraw/zinc/47/20/91/739472091.db2.gz 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740069041 /nfs/dbraw/zinc/06/90/41/740069041.db2.gz HUSCKGLFUKOIFU-AWEZNQCLSA-N -1 3 351.244 3.153 20 0 FGADHM COC(=O)[C@H](NCc1nc(C)ccc1[O-])c1ccc(C(F)(F)F)cc1 ZINC000897086741 742642451 /nfs/dbraw/zinc/64/24/51/742642451.db2.gz SRYCARGNXRKRFM-OAHLLOKOSA-N -1 3 354.328 3.118 20 0 FGADHM [O-]c1cccc(CNc2ccnn2[C@H]2CCCOC2)c1Br ZINC000898090857 742744290 /nfs/dbraw/zinc/74/42/90/742744290.db2.gz JARIOTHTSSKTDP-LBPRGKRZSA-N -1 3 352.232 3.315 20 0 FGADHM O=C([C@@H]1CC[C@H]1c1ccc(Cl)cc1F)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000898220618 742760944 /nfs/dbraw/zinc/76/09/44/742760944.db2.gz AYEDYYUSBFOURJ-SCDSUCTJSA-N -1 3 363.820 3.418 20 0 FGADHM C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)NCCCc1c[n-][nH]c1=O ZINC000898735809 742827930 /nfs/dbraw/zinc/82/79/30/742827930.db2.gz ZGAOPRPZPGMXQK-NXEZZACHSA-N -1 3 374.293 3.102 20 0 FGADHM Cn1ccc(-c2nc(CNC[C@H](C(=O)[O-])C3CCCCCC3)cs2)n1 ZINC000900050898 743051433 /nfs/dbraw/zinc/05/14/33/743051433.db2.gz YGTBHMGXNZCCIX-HNNXBMFYSA-N -1 3 362.499 3.304 20 0 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CCNC(=O)N1CCc2ccc(NC(=O)c3cccc(CC)c3[O-])cc21 ZINC000081786712 493953644 /nfs/dbraw/zinc/95/36/44/493953644.db2.gz QJICIADRXQOUNQ-UHFFFAOYSA-N -1 3 353.422 3.299 20 0 FGADHM CCc1cccc(C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)c1[O-] ZINC000081936984 493969575 /nfs/dbraw/zinc/96/95/75/493969575.db2.gz KLGGULQSIVXIJK-UHFFFAOYSA-N -1 3 352.434 3.446 20 0 FGADHM CCc1cccc(C(=O)N2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)c1[O-] ZINC000081940008 493970308 /nfs/dbraw/zinc/97/03/08/493970308.db2.gz IAKMXQBFZVLHEI-OAHLLOKOSA-N -1 3 358.482 3.065 20 0 FGADHM O=C(NCCc1ccc(OC(F)F)cc1)c1cc(=O)c2ccccc2[n-]1 ZINC000061212276 493970460 /nfs/dbraw/zinc/97/04/60/493970460.db2.gz OMOQXNMFYXJNAQ-UHFFFAOYSA-N -1 3 358.344 3.102 20 0 FGADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@H]3CCOc4ccccc43)cc2)n1 ZINC000076800618 493973202 /nfs/dbraw/zinc/97/32/02/493973202.db2.gz WJDOIOADRMDOQI-KRWDZBQOSA-N -1 3 361.401 3.250 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]C2(c3ccc(F)cc3)CCOCC2)c(F)c1 ZINC000076832662 493976668 /nfs/dbraw/zinc/97/66/68/493976668.db2.gz SIEOHVVRTMSPPY-UHFFFAOYSA-N -1 3 367.417 3.257 20 0 FGADHM O=C(NCCc1ccccc1Br)c1cc(=O)c2ccccc2[n-]1 ZINC000061557531 493983355 /nfs/dbraw/zinc/98/33/55/493983355.db2.gz LVKKKAUMALEVLR-UHFFFAOYSA-N -1 3 371.234 3.263 20 0 FGADHM C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000076938433 493991947 /nfs/dbraw/zinc/99/19/47/493991947.db2.gz KRTDREFUSRJTIL-WCQYABFASA-N -1 3 367.380 3.119 20 0 FGADHM O=S(=O)(C[C@@H]1CCCCO1)[N-]c1ccc(COC2CCCC2)cc1 ZINC000076937913 493992081 /nfs/dbraw/zinc/99/20/81/493992081.db2.gz GFOVDEIYUGEDKR-SFHVURJKSA-N -1 3 353.484 3.457 20 0 FGADHM NC(=O)CSCc1nc(=O)c2c(-c3ccccc3Cl)csc2[n-]1 ZINC000007050026 493995748 /nfs/dbraw/zinc/99/57/48/493995748.db2.gz RFZVVQQBJVRADR-UHFFFAOYSA-N -1 3 365.867 3.024 20 0 FGADHM CCc1ccc(S(=O)(=O)[N-]c2cc(C(=O)N(C)C)ccc2Cl)cc1 ZINC000032592249 493998368 /nfs/dbraw/zinc/99/83/68/493998368.db2.gz UUOJVCUXXZGKCM-UHFFFAOYSA-N -1 3 366.870 3.405 20 0 FGADHM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)Cc2cccc(C)c2)c1 ZINC000062139176 494003673 /nfs/dbraw/zinc/00/36/73/494003673.db2.gz OECIPINVFRAIML-UHFFFAOYSA-N -1 3 353.827 3.377 20 0 FGADHM O=C([N-]c1nnc(SCc2cccs2)s1)c1cn2cccnc2n1 ZINC000063097306 494028246 /nfs/dbraw/zinc/02/82/46/494028246.db2.gz SIIVSMCCGFWFFF-UHFFFAOYSA-N -1 3 374.476 3.187 20 0 FGADHM CCOCCOc1c(Cl)cccc1NC(=O)c1ccc2n[n-]nc2c1 ZINC000063264501 494038650 /nfs/dbraw/zinc/03/86/50/494038650.db2.gz RJKPZAXQQOGZDV-UHFFFAOYSA-N -1 3 360.801 3.279 20 0 FGADHM CC[C@@H]([N-]S(=O)(=O)c1cnc2ccsc2c1)c1nc(C)cs1 ZINC000083990952 494043092 /nfs/dbraw/zinc/04/30/92/494043092.db2.gz RRRXZNUFSUHEPK-LLVKDONJSA-N -1 3 353.494 3.491 20 0 FGADHM Cc1nc(C)c(CCC(=O)NCC(C)(C)c2cccc(Cl)c2)c(=O)[n-]1 ZINC000063624357 494072198 /nfs/dbraw/zinc/07/21/98/494072198.db2.gz DYEXKRIURFOUFL-UHFFFAOYSA-N -1 3 361.873 3.067 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N3)ccc1OC(C)C ZINC000071081831 494086033 /nfs/dbraw/zinc/08/60/33/494086033.db2.gz UGNKPAIICGLWHS-UHFFFAOYSA-N -1 3 360.435 3.078 20 0 FGADHM C[C@H](C(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1ccc2ccccc2c1 ZINC000084600477 494086878 /nfs/dbraw/zinc/08/68/78/494086878.db2.gz BJVIEEHRKNWSKF-AWEZNQCLSA-N -1 3 357.417 3.440 20 0 FGADHM C[C@H](C(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1ccc2ccccc2c1 ZINC000084600477 494086881 /nfs/dbraw/zinc/08/68/81/494086881.db2.gz BJVIEEHRKNWSKF-AWEZNQCLSA-N -1 3 357.417 3.440 20 0 FGADHM Cc1cccc2c(=O)n(CCC(=O)Nc3cc(Cl)ccc3[O-])cnc12 ZINC000063803281 494089998 /nfs/dbraw/zinc/08/99/98/494089998.db2.gz VTUCQZWBHPKGTE-UHFFFAOYSA-N -1 3 357.797 3.093 20 0 FGADHM Cc1ccc(C(=O)NCc2cc3c(c(Br)c2)OCO3)c([O-])c1 ZINC000063819994 494091966 /nfs/dbraw/zinc/09/19/66/494091966.db2.gz NVMOMPZIZYILHT-UHFFFAOYSA-N -1 3 364.195 3.122 20 0 FGADHM CCCC[C@@H](CCC)CNC(=O)c1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000084827063 494100587 /nfs/dbraw/zinc/10/05/87/494100587.db2.gz LWCDEHUWKMMJCF-VLIAUNLRSA-N -1 3 359.470 3.078 20 0 FGADHM CN(C)[C@@H](C[N-]S(=O)(=O)c1cc2ccccc2o1)c1cccc(F)c1 ZINC000084935980 494107728 /nfs/dbraw/zinc/10/77/28/494107728.db2.gz GHGOJPOGPDMSQF-INIZCTEOSA-N -1 3 362.426 3.153 20 0 FGADHM CN(C)[C@H](C[N-]S(=O)(=O)c1cc2ccccc2o1)c1ccsc1 ZINC000084936421 494107782 /nfs/dbraw/zinc/10/77/82/494107782.db2.gz UMQOHSQGTBCTIY-CQSZACIVSA-N -1 3 350.465 3.076 20 0 FGADHM O=C(c1csc2ccccc12)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000071955680 494111111 /nfs/dbraw/zinc/11/11/11/494111111.db2.gz BULWTCLNJUCHBB-UHFFFAOYSA-N -1 3 366.442 3.205 20 0 FGADHM O=c1cc(-c2noc(COc3ccc4oc5c(c4c3)CCCC5)n2)nc[n-]1 ZINC000580191488 505700931 /nfs/dbraw/zinc/70/09/31/505700931.db2.gz IGCYANBQBKMJCE-UHFFFAOYSA-N -1 3 364.361 3.436 20 0 FGADHM CCOCCOCc1cccc(CNC(=O)c2cc(CC)ccc2[O-])c1 ZINC000072055132 494121897 /nfs/dbraw/zinc/12/18/97/494121897.db2.gz OECAVUIEQFGHGQ-UHFFFAOYSA-N -1 3 357.450 3.438 20 0 FGADHM C[C@H]1CN(CCCCNC(=O)c2ccc3[n-]c(=S)oc3c2)C[C@H](C)O1 ZINC000085457067 494126250 /nfs/dbraw/zinc/12/62/50/494126250.db2.gz SJZCBMJGFLCORB-STQMWFEESA-N -1 3 363.483 3.110 20 0 FGADHM Cc1ccc([O-])c(C(=O)Nc2ccc(N3CCOCC3)c3ccncc23)c1 ZINC000009681161 494129935 /nfs/dbraw/zinc/12/99/35/494129935.db2.gz YQBFQQQIPDFUSW-UHFFFAOYSA-N -1 3 363.417 3.338 20 0 FGADHM O=C(CCNC(=O)C1CCCCC1)Nc1cc(Br)ccc1[O-] ZINC000085591150 494133195 /nfs/dbraw/zinc/13/31/95/494133195.db2.gz FDUJKPJXLACPFA-UHFFFAOYSA-N -1 3 369.259 3.180 20 0 FGADHM COc1ccc(NC(=O)Cn2cc([N-]c3nc4ccccc4o3)cn2)cc1 ZINC000064550787 494133884 /nfs/dbraw/zinc/13/38/84/494133884.db2.gz HENGUOAXZMQHNV-UHFFFAOYSA-N -1 3 363.377 3.415 20 0 FGADHM O=C1COc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3Cl)cc2N1 ZINC000041237611 494153724 /nfs/dbraw/zinc/15/37/24/494153724.db2.gz MMPXTBMUZQDQLL-UHFFFAOYSA-N -1 3 373.217 3.125 20 0 FGADHM COc1ncccc1NC(=O)c1n[n-]c(-c2ccccc2)c1Br ZINC000065107756 494172771 /nfs/dbraw/zinc/17/27/71/494172771.db2.gz FSNBOOJBNJABLP-UHFFFAOYSA-N -1 3 373.210 3.495 20 0 FGADHM COc1ncccc1NC(=O)c1[n-]nc(-c2ccccc2)c1Br ZINC000065107756 494172775 /nfs/dbraw/zinc/17/27/75/494172775.db2.gz FSNBOOJBNJABLP-UHFFFAOYSA-N -1 3 373.210 3.495 20 0 FGADHM CCCN(C(=O)NCc1ccc([O-])c(F)c1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000077839254 494190265 /nfs/dbraw/zinc/19/02/65/494190265.db2.gz QIKBAHRALSAOEQ-XYPHTWIQSA-N -1 3 350.434 3.266 20 0 FGADHM O=S(=O)([N-]Cc1coc(-c2cccs2)n1)c1ccc(F)cc1F ZINC000054189993 494203933 /nfs/dbraw/zinc/20/39/33/494203933.db2.gz SXHQXYYTEPKLGF-UHFFFAOYSA-N -1 3 356.375 3.160 20 0 FGADHM CCOC(=O)[C@@H](CC)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000072578209 494208547 /nfs/dbraw/zinc/20/85/47/494208547.db2.gz KRXSITGUZVKPOY-OAHLLOKOSA-N -1 3 368.861 3.038 20 0 FGADHM O=S(=O)([N-][C@@H]1CCCc2occc21)c1ccc(Br)s1 ZINC000042342859 494218017 /nfs/dbraw/zinc/21/80/17/494218017.db2.gz IDOLBFGXZQOTEA-SECBINFHSA-N -1 3 362.270 3.460 20 0 FGADHM O=S(=O)([N-]Cc1ccccc1-n1cccn1)c1ccc(Cl)s1 ZINC000065795926 494239342 /nfs/dbraw/zinc/23/93/42/494239342.db2.gz WSSPSGQMFNMKPF-UHFFFAOYSA-N -1 3 353.856 3.066 20 0 FGADHM O=S(=O)([N-][C@H]1CCCC[C@@H]1n1cccn1)c1cc(F)ccc1Cl ZINC000072721165 494240178 /nfs/dbraw/zinc/24/01/78/494240178.db2.gz ZSJMFFAQLZJALD-KBPBESRZSA-N -1 3 357.838 3.138 20 0 FGADHM CC(C)COc1cccc(NC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)c1 ZINC000065804948 494241021 /nfs/dbraw/zinc/24/10/21/494241021.db2.gz RTZCAIOQMWNMKU-UHFFFAOYSA-N -1 3 353.378 3.249 20 0 FGADHM CCCOc1cc(C)ccc1NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000065815866 494241809 /nfs/dbraw/zinc/24/18/09/494241809.db2.gz GDFBWKOFBGITFN-UHFFFAOYSA-N -1 3 353.378 3.311 20 0 FGADHM CO[C@H](CC(C)C)CN1Cc2cccc(Br)c2C[C@@H]1C(=O)[O-] ZINC000574164185 505709793 /nfs/dbraw/zinc/70/97/93/505709793.db2.gz DJCXVNNHSLQYDO-CZUORRHYSA-N -1 3 370.287 3.322 20 0 FGADHM COc1ccc(C(=O)C2CCN(C(=O)c3ccc(OC)cc3[O-])CC2)cc1 ZINC000012739138 494253263 /nfs/dbraw/zinc/25/32/63/494253263.db2.gz LBSAYMCDHIQXBR-UHFFFAOYSA-N -1 3 369.417 3.145 20 0 FGADHM O=C([N-]c1n[nH]c(C(F)(F)F)n1)c1cc(-c2ccc(Cl)s2)on1 ZINC000043012835 494258369 /nfs/dbraw/zinc/25/83/69/494258369.db2.gz YYVKYLJMTAVJOT-UHFFFAOYSA-N -1 3 363.708 3.446 20 0 FGADHM COC(=O)c1coc(C(=O)[N-]c2ncccc2C(=O)c2ccc(F)cc2)c1 ZINC000577336774 505706765 /nfs/dbraw/zinc/70/67/65/505706765.db2.gz PKEKLQWWJILARL-UHFFFAOYSA-N -1 3 368.320 3.084 20 0 FGADHM COc1cccc([C@H](CNc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)N(C)C)c1 ZINC000013181039 494280821 /nfs/dbraw/zinc/28/08/21/494280821.db2.gz AEZFOXHOWHLKAV-KRWDZBQOSA-N -1 3 359.382 3.016 20 0 FGADHM CSc1nsc([N-]C(=O)c2nn(-c3ccccc3)c3c2CCC3)n1 ZINC000078358922 494286303 /nfs/dbraw/zinc/28/63/03/494286303.db2.gz IYNZXRVJDKYVSF-UHFFFAOYSA-N -1 3 357.464 3.187 20 0 FGADHM Cc1c(NC(=O)c2c[n-]nc2-c2cccc(Cl)c2)cnn1[C@H]1CCOC1 ZINC000577355090 505711468 /nfs/dbraw/zinc/71/14/68/505711468.db2.gz JTBCIRLKUCMKMV-AWEZNQCLSA-N -1 3 371.828 3.449 20 0 FGADHM CC(C)c1ccc(S(=O)(=O)[N-]c2ccc(CC(=O)N(C)C)cc2)cc1 ZINC000013849507 494296886 /nfs/dbraw/zinc/29/68/86/494296886.db2.gz GLCRWQKIXCRQLU-UHFFFAOYSA-N -1 3 360.479 3.242 20 0 FGADHM CN(Cc1nc2ccsc2c(=O)[n-]1)C(=O)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000055100907 494300691 /nfs/dbraw/zinc/30/06/91/494300691.db2.gz LYIFAYQTDPXKAO-VHSXEESVSA-N -1 3 373.400 3.312 20 0 FGADHM C[C@H](Sc1nc(N)n[nH]1)c1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000066275330 494300780 /nfs/dbraw/zinc/30/07/80/494300780.db2.gz ZVPSFQFIRIRBMK-QMMMGPOBSA-N -1 3 370.463 3.205 20 0 FGADHM CC(C)(C)CC(C)(C)[N-]S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC000055215649 494315193 /nfs/dbraw/zinc/31/51/93/494315193.db2.gz NBOXLYSPLVIKCC-UHFFFAOYSA-N -1 3 356.463 3.204 20 0 FGADHM Cc1ccc(C(=O)N2CC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)c([O-])c1 ZINC000089480044 494315999 /nfs/dbraw/zinc/31/59/99/494315999.db2.gz PCNWPBRCCXMYIR-CYBMUJFWSA-N -1 3 366.339 3.408 20 0 FGADHM CC(C)(C[N-]S(=O)(=O)c1cncc(Br)c1)c1ccccc1 ZINC000044257067 494345737 /nfs/dbraw/zinc/34/57/37/494345737.db2.gz ZEJDJMKBOCVROH-UHFFFAOYSA-N -1 3 369.284 3.100 20 0 FGADHM Cc1ccc([O-])c(C(=O)NCc2cccc(C(=O)NCc3ccco3)c2)c1 ZINC000055481884 494350738 /nfs/dbraw/zinc/35/07/38/494350738.db2.gz QONVCANIDMGANH-UHFFFAOYSA-N -1 3 364.401 3.154 20 0 FGADHM COc1ccc(NC(=O)Cc2nc(=O)c3c4c(sc3[n-]2)CCCC4)cc1 ZINC000055491624 494352172 /nfs/dbraw/zinc/35/21/72/494352172.db2.gz YVFKQDHPDYDTAT-UHFFFAOYSA-N -1 3 369.446 3.053 20 0 FGADHM CCCCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000015433703 494354758 /nfs/dbraw/zinc/35/47/58/494354758.db2.gz XBPCCOUAKXEEGA-UHFFFAOYSA-N -1 3 350.415 3.156 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)ccc1OC(C)C ZINC000055546045 494358011 /nfs/dbraw/zinc/35/80/11/494358011.db2.gz MVRLAGVEONQIGP-UHFFFAOYSA-N -1 3 363.435 3.354 20 0 FGADHM CC(C)OCc1nc([C@@H](C)[N-]S(=O)(=O)c2ccccc2C(C)C)no1 ZINC000571366731 505715848 /nfs/dbraw/zinc/71/58/48/505715848.db2.gz KWLRUPDEQWPNLX-CYBMUJFWSA-N -1 3 367.471 3.158 20 0 FGADHM CCc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NC)ccc2Cl)cc1 ZINC000055620446 494373859 /nfs/dbraw/zinc/37/38/59/494373859.db2.gz DLBOMBYQLRRNAI-UHFFFAOYSA-N -1 3 352.843 3.063 20 0 FGADHM CCN(C(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)[C@@H]1CCCC[C@H]1C ZINC000066674643 494380275 /nfs/dbraw/zinc/38/02/75/494380275.db2.gz RHLOLJKKJFPYBP-MLGOLLRUSA-N -1 3 356.463 3.238 20 0 FGADHM C[C@@]1(c2ccc(C(F)(F)F)cc2)[N-]C(=O)N(CCC(F)(F)F)C1=O ZINC000073525419 494383033 /nfs/dbraw/zinc/38/30/33/494383033.db2.gz NXSVUEZPYWBFDO-LBPRGKRZSA-N -1 3 354.250 3.425 20 0 FGADHM CN(Cc1ccc(Cl)cc1)C(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000044842323 494383202 /nfs/dbraw/zinc/38/32/02/494383202.db2.gz LOYNRPNYIYIPBH-KRWDZBQOSA-N -1 3 372.852 3.309 20 0 FGADHM CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)c(C)c1 ZINC000055663429 494385365 /nfs/dbraw/zinc/38/53/65/494385365.db2.gz DCJQGRMVHWPAIA-UHFFFAOYSA-N -1 3 363.435 3.356 20 0 FGADHM COc1cccc(C(=O)Nc2ccccc2N2C[C@H](C)O[C@@H](C)C2)c1[O-] ZINC000079008084 494391449 /nfs/dbraw/zinc/39/14/49/494391449.db2.gz SQWABAPEECLVIP-KBPBESRZSA-N -1 3 356.422 3.267 20 0 FGADHM Cc1cc(C)c2[n-]cc(C(=O)N3CCC[C@@](CO)(C(C)C)C3)c(=O)c2c1 ZINC000571375460 505718365 /nfs/dbraw/zinc/71/83/65/505718365.db2.gz FWGZEVVUKPVKCK-OAQYLSRUSA-N -1 3 356.466 3.016 20 0 FGADHM O=S(=O)([N-]CC1(c2ccc(Cl)cc2)CCOCC1)c1cccs1 ZINC000016972550 494405116 /nfs/dbraw/zinc/40/51/16/494405116.db2.gz RTPINWYMINJKMN-UHFFFAOYSA-N -1 3 371.911 3.428 20 0 FGADHM CS(=O)(=O)[N-]c1ccc(C(=O)CSc2ccc(F)c(F)c2)cc1 ZINC000017982778 494421305 /nfs/dbraw/zinc/42/13/05/494421305.db2.gz PHXSEMPNFMYSQR-UHFFFAOYSA-N -1 3 357.403 3.311 20 0 FGADHM COc1cc(C)c([C@H](C)[N-]S(=O)(=O)c2cc(F)ccc2F)cc1OC ZINC000056058725 494447396 /nfs/dbraw/zinc/44/73/96/494447396.db2.gz LIRMTKGPWJMITB-NSHDSACASA-N -1 3 371.405 3.330 20 0 FGADHM O=S(=O)([N-][C@@H](c1ccc(F)cc1)[C@H]1CCCO1)c1cc(F)cc(F)c1 ZINC000056137739 494459638 /nfs/dbraw/zinc/45/96/38/494459638.db2.gz QARLUXSQKHPULW-SJORKVTESA-N -1 3 371.380 3.303 20 0 FGADHM Cc1cc([N-]C(=O)[C@H](C)Nc2ccc(OCc3ccccc3)nc2)on1 ZINC000056199240 494470444 /nfs/dbraw/zinc/47/04/44/494470444.db2.gz GNRLOLSVVTXWKN-AWEZNQCLSA-N -1 3 352.394 3.396 20 0 FGADHM Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000020495328 494474623 /nfs/dbraw/zinc/47/46/23/494474623.db2.gz XAOLBFRORUGEKC-LLVKDONJSA-N -1 3 357.801 3.235 20 0 FGADHM Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000020495328 494474627 /nfs/dbraw/zinc/47/46/27/494474627.db2.gz XAOLBFRORUGEKC-LLVKDONJSA-N -1 3 357.801 3.235 20 0 FGADHM CN(Cc1ccccc1)C(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000067105985 494477012 /nfs/dbraw/zinc/47/70/12/494477012.db2.gz CRKANSSQBDTEAK-UHFFFAOYSA-N -1 3 367.449 3.295 20 0 FGADHM Cc1nc(C(C)(C)[N-]S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)no1 ZINC000067118660 494478684 /nfs/dbraw/zinc/47/86/84/494478684.db2.gz BBCGDXXLTCDYTK-UHFFFAOYSA-N -1 3 364.254 3.040 20 0 FGADHM O=C(CCCCCc1cccs1)NCCNC(=O)c1ccc([O-])cc1 ZINC000067137633 494482053 /nfs/dbraw/zinc/48/20/53/494482053.db2.gz XIIQCWLSFQIXKS-UHFFFAOYSA-N -1 3 360.479 3.103 20 0 FGADHM Cc1cc(C)[n-]c(=NNC(=O)CCCCCCNC(=O)OC(C)(C)C)n1 ZINC000067143600 494483284 /nfs/dbraw/zinc/48/32/84/494483284.db2.gz GBKYMNVEYYTUOU-UHFFFAOYSA-N -1 3 365.478 3.012 20 0 FGADHM 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COc1ccc(C(=O)N2CCC[C@H]2c2nnc(-c3ccccc3)[nH]2)c([O-])c1 ZINC000091694894 494648337 /nfs/dbraw/zinc/64/83/37/494648337.db2.gz QUQHUHWEVFJWAU-INIZCTEOSA-N -1 3 364.405 3.163 20 0 FGADHM CC[C@@H](C)CS(=O)(=O)[N-][C@H](C)c1noc(-c2ccc(Cl)cc2)n1 ZINC000080279422 494662944 /nfs/dbraw/zinc/66/29/44/494662944.db2.gz ZMCWCMITIOIDFF-GHMZBOCLSA-N -1 3 357.863 3.417 20 0 FGADHM CCOC(=O)c1cnn(-c2ccc(C(=O)Nc3ccccc3[O-])cc2)c1C ZINC000024824209 494669848 /nfs/dbraw/zinc/66/98/48/494669848.db2.gz DHGFRZTVBIZCDN-UHFFFAOYSA-N -1 3 365.389 3.315 20 0 FGADHM CN(C)[C@@H](C[N-]S(=O)(=O)c1cccc(Cl)c1F)c1ccc(F)cc1 ZINC000108272609 494673880 /nfs/dbraw/zinc/67/38/80/494673880.db2.gz LECGQUYXXBKNAS-AWEZNQCLSA-N -1 3 374.840 3.199 20 0 FGADHM Cc1nc(C)c(CCC(=O)Nc2cnc(-c3ccccc3)s2)c(=O)[n-]1 ZINC000091789926 494681292 /nfs/dbraw/zinc/68/12/92/494681292.db2.gz ZGVHVIIYKVRIJS-UHFFFAOYSA-N -1 3 354.435 3.082 20 0 FGADHM COc1ccc(OCCS(=O)(=O)[N-]c2cccc(C)c2Cl)cc1 ZINC000075081934 494684348 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CC(C)CCn1cc(C(=O)[N-]c2nnc(Cc3cccc(F)c3)s2)nn1 ZINC000131712126 494707706 /nfs/dbraw/zinc/70/77/06/494707706.db2.gz NDVWWAYIWTWSEN-UHFFFAOYSA-N -1 3 374.445 3.158 20 0 FGADHM CCCOc1ccc(C[N-]S(=O)(=O)c2c(F)cccc2F)cc1OC ZINC000047462914 494716205 /nfs/dbraw/zinc/71/62/05/494716205.db2.gz ZSRSXJHBMLXCAX-UHFFFAOYSA-N -1 3 371.405 3.241 20 0 FGADHM CCCOc1cccc(CN2CCN(C(=O)c3ccccc3[O-])CC2)c1 ZINC000091924420 494723260 /nfs/dbraw/zinc/72/32/60/494723260.db2.gz LXYUCOXZRKOPIX-UHFFFAOYSA-N -1 3 354.450 3.139 20 0 FGADHM COc1cccc(-c2noc([C@@H](C)NC(=O)c3cc(C)ccc3[O-])n2)c1 ZINC000075379304 494749441 /nfs/dbraw/zinc/74/94/41/494749441.db2.gz NRDVQWLONPXVKP-GFCCVEGCSA-N -1 3 353.378 3.250 20 0 FGADHM COc1ccc(-n2ccc(C(=O)[N-]c3nc(C(C)(C)C)ns3)n2)cc1 ZINC000068071365 494750556 /nfs/dbraw/zinc/75/05/56/494750556.db2.gz BXZVAMWJKXQUCU-UHFFFAOYSA-N -1 3 357.439 3.282 20 0 FGADHM O=S(=O)([N-][C@@H](CCCO)c1ccccc1)c1cc(F)ccc1Cl ZINC000121428939 494752787 /nfs/dbraw/zinc/75/27/87/494752787.db2.gz SSHVJQOWNHJLEQ-HNNXBMFYSA-N -1 3 357.834 3.271 20 0 FGADHM COc1cc(F)c([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)cc1F ZINC000126532091 494782087 /nfs/dbraw/zinc/78/20/87/494782087.db2.gz GRNBAONNAGFQAS-VIFPVBQESA-N -1 3 355.362 3.098 20 0 FGADHM Cc1sc(=O)n(CCC(=O)Nc2cc(Br)ccc2[O-])c1C ZINC000126603420 494799841 /nfs/dbraw/zinc/79/98/41/494799841.db2.gz MPDRXNFRVDAQKD-UHFFFAOYSA-N -1 3 371.256 3.024 20 0 FGADHM CC[C@H]1CN(Cc2nc(=O)c3cc(-c4ccccc4)sc3[n-]2)CCO1 ZINC000026130310 494802849 /nfs/dbraw/zinc/80/28/49/494802849.db2.gz QPIWAKIONWGJOF-AWEZNQCLSA-N -1 3 355.463 3.262 20 0 FGADHM Cc1cc(C(=O)Nc2cccc(-c3nnn[n-]3)c2)c(C)cc1Br ZINC000092166164 494803339 /nfs/dbraw/zinc/80/33/39/494803339.db2.gz SNOICMNMGBQMQV-UHFFFAOYSA-N -1 3 372.226 3.498 20 0 FGADHM Cc1cc(C(=O)Nc2cccc(-c3nn[n-]n3)c2)c(C)cc1Br ZINC000092166164 494803342 /nfs/dbraw/zinc/80/33/42/494803342.db2.gz SNOICMNMGBQMQV-UHFFFAOYSA-N -1 3 372.226 3.498 20 0 FGADHM CCOc1ccc(OCC)c(NCc2nc(C(F)(F)F)cc(=O)[n-]2)c1 ZINC000092214955 494809418 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Cc1ccc([O-])c(C(=O)N2CSC[C@H]2C(=O)Nc2cccc(C)c2C)c1 ZINC000109213670 494847035 /nfs/dbraw/zinc/84/70/35/494847035.db2.gz GPMRHJCOXJBLHX-KRWDZBQOSA-N -1 3 370.474 3.471 20 0 FGADHM C[C@H](O)C[C@@H]1CCCN1C(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000093241793 494850375 /nfs/dbraw/zinc/85/03/75/494850375.db2.gz UVKXJCNWHNIETN-RDJZCZTQSA-N -1 3 355.434 3.347 20 0 FGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000093313253 494866525 /nfs/dbraw/zinc/86/65/25/494866525.db2.gz KXRHDOWZVMPJSM-PWSUYJOCSA-N -1 3 364.348 3.434 20 0 FGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)COC/C=C/c1ccccc1 ZINC000093312851 494866698 /nfs/dbraw/zinc/86/66/98/494866698.db2.gz AZQALHHDEFREIS-DHZHZOJOSA-N -1 3 358.394 3.082 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1ccc(C(C)(C)C)s1)C(=O)N1CCCC[C@H]1C ZINC000121837789 494871548 /nfs/dbraw/zinc/87/15/48/494871548.db2.gz QJONHPYXCDQCAE-OLZOCXBDSA-N -1 3 372.556 3.113 20 0 FGADHM O=S(=O)([N-]C[C@@H]1CCC[C@H](O)C1)c1cc2cc(Cl)ccc2s1 ZINC000121865705 494877374 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CCNC(=O)N1CCN(C(=O)c2cc(C(C)C)cc(C(C)C)c2[O-])CC1 ZINC000121932398 494893034 /nfs/dbraw/zinc/89/30/34/494893034.db2.gz NQFMJFPMFFLMRZ-UHFFFAOYSA-N -1 3 361.486 3.126 20 0 FGADHM O=C1[C@@H](Sc2n[n-]c(-c3ccccn3)n2)CCCN1c1ccccc1 ZINC000117116098 494893500 /nfs/dbraw/zinc/89/35/00/494893500.db2.gz LEKGEGNBYXDUFR-HNNXBMFYSA-N -1 3 351.435 3.154 20 0 FGADHM Cc1ccc([O-])c(CN(C)Cc2cc3c(cc2OC(F)F)OCO3)n1 ZINC000093614545 494905644 /nfs/dbraw/zinc/90/56/44/494905644.db2.gz BKLUDCZDXFOFBD-UHFFFAOYSA-N -1 3 352.337 3.058 20 0 FGADHM COc1cc(N[C@H]2CCCN(Cc3nc(C)ccc3[O-])C2)cc(OC)c1 ZINC000093763935 494918393 /nfs/dbraw/zinc/91/83/93/494918393.db2.gz OYQVYYGDFKQGDG-HNNXBMFYSA-N -1 3 357.454 3.189 20 0 FGADHM C[C@@H](C[N-]S(=O)(=O)c1ccc(Br)cc1Cl)C1CC1 ZINC000132778127 494923044 /nfs/dbraw/zinc/92/30/44/494923044.db2.gz QLGLFJRCQZDQIO-QMMMGPOBSA-N -1 3 352.681 3.427 20 0 FGADHM O=C([N-]c1nc2ccccn2n1)c1ccc(COc2ccc(F)cc2)o1 ZINC000132782766 494924021 /nfs/dbraw/zinc/92/40/21/494924021.db2.gz 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494952692 /nfs/dbraw/zinc/95/26/92/494952692.db2.gz IHHFPIVXBOJKMI-QGZVFWFLSA-N -1 3 372.852 3.486 20 0 FGADHM COc1ccc(C(=O)NCc2ccc([O-])c(F)c2)cc1Br ZINC000133000403 494954328 /nfs/dbraw/zinc/95/43/28/494954328.db2.gz OTRKOWHYNPWATR-UHFFFAOYSA-N -1 3 354.175 3.232 20 0 FGADHM Cc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)NCc1ccc([O-])c(F)c1 ZINC000133002110 494955542 /nfs/dbraw/zinc/95/55/42/494955542.db2.gz ZHSKGTDYUFPFDY-SFHVURJKSA-N -1 3 372.440 3.301 20 0 FGADHM CC(C)Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCNC3=O)cc2)cc1 ZINC000122307112 494955669 /nfs/dbraw/zinc/95/56/69/494955669.db2.gz SGNIOOAATVQXSY-UHFFFAOYSA-N -1 3 373.478 3.216 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CC[C@@H]3CCCCO3)c2)n1 ZINC000110224655 494958781 /nfs/dbraw/zinc/95/87/81/494958781.db2.gz ZQFUROHKALXEGR-KRWDZBQOSA-N -1 3 355.438 3.287 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-]C[C@@H](OC)c1cccc(Cl)c1 ZINC000122394673 494968453 /nfs/dbraw/zinc/96/84/53/494968453.db2.gz XBAOIXLEXBFQKV-CYBMUJFWSA-N -1 3 361.872 3.076 20 0 FGADHM 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O=C(Nc1ccc(Br)cc1[O-])c1cc(-c2ccncc2)on1 ZINC000127920209 495017910 /nfs/dbraw/zinc/01/79/10/495017910.db2.gz XDJKELIBDCQASD-UHFFFAOYSA-N -1 3 360.167 3.457 20 0 FGADHM O=S(=O)([N-]c1ccc([C@@H]2CCOC2)cc1)c1ccc2c(c1)CCCO2 ZINC000574367901 505756440 /nfs/dbraw/zinc/75/64/40/505756440.db2.gz ZXUBTUFQZMPOLR-MRXNPFEDSA-N -1 3 359.447 3.316 20 0 FGADHM CC(C)OCCS(=O)(=O)[N-]c1ccc(Cl)cc1Br ZINC000128012587 495030526 /nfs/dbraw/zinc/03/05/26/495030526.db2.gz MIHAWWSOWUGNPA-UHFFFAOYSA-N -1 3 356.669 3.269 20 0 FGADHM O=C(Cc1csc(NC(=O)c2cccc([O-])c2)n1)Nc1ccccc1 ZINC000118754573 495032255 /nfs/dbraw/zinc/03/22/55/495032255.db2.gz ADRAELGSZUZHPS-UHFFFAOYSA-N -1 3 353.403 3.282 20 0 FGADHM Cc1ccc(-c2nnc(NC(=O)c3cnc(-c4ccccc4)nc3C)[n-]2)o1 ZINC000133644771 495040635 /nfs/dbraw/zinc/04/06/35/495040635.db2.gz ATPYSRNYQIBBMD-UHFFFAOYSA-N -1 3 360.377 3.391 20 0 FGADHM Cc1ccc(-c2n[n-]c(NC(=O)c3cnc(-c4ccccc4)nc3C)n2)o1 ZINC000133644771 495040641 /nfs/dbraw/zinc/04/06/41/495040641.db2.gz ATPYSRNYQIBBMD-UHFFFAOYSA-N -1 3 360.377 3.391 20 0 FGADHM Cc1ccc(-c2nc(NC(=O)c3cnc(-c4ccccc4)nc3C)n[n-]2)o1 ZINC000133644771 495040646 /nfs/dbraw/zinc/04/06/46/495040646.db2.gz ATPYSRNYQIBBMD-UHFFFAOYSA-N -1 3 360.377 3.391 20 0 FGADHM O=c1nc(CN(CCCCO)C2CC2)[n-]c2sc(-c3ccccc3)cc21 ZINC000118844820 495047435 /nfs/dbraw/zinc/04/74/35/495047435.db2.gz AAJQOTKDTXUOQJ-UHFFFAOYSA-N -1 3 369.490 3.389 20 0 FGADHM CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3C)cc1 ZINC000098052393 495051507 /nfs/dbraw/zinc/05/15/07/495051507.db2.gz XCVIKFDHYMOWSQ-CYBMUJFWSA-N -1 3 374.462 3.184 20 0 FGADHM Cc1cccc(C(=O)N2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)c1[O-] ZINC000128160876 495053852 /nfs/dbraw/zinc/05/38/52/495053852.db2.gz YQNJDKDITRZOCJ-ZDUSSCGKSA-N -1 3 373.840 3.240 20 0 FGADHM Cc1ccccc1CS(=O)(=O)[N-][C@H](COCC(C)C)c1ccco1 ZINC000111336176 495065828 /nfs/dbraw/zinc/06/58/28/495065828.db2.gz QAIDYXGKTPZVQN-QGZVFWFLSA-N -1 3 351.468 3.421 20 0 FGADHM CC(C)c1nc2c(n1C)CCN(c1c(C(=O)[O-])cnc3ccccc31)C2 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370.449 3.355 20 0 FGADHM CCC(CC)[C@H](O)C[N-]S(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000119170330 495109344 /nfs/dbraw/zinc/10/93/44/495109344.db2.gz UNWRVSJLEMBXEP-SNVBAGLBSA-N -1 3 370.298 3.077 20 0 FGADHM O=C(CCn1ccnc1)Nc1cccc(C(=O)Nc2cccc([O-])c2F)c1 ZINC000128586415 495120615 /nfs/dbraw/zinc/12/06/15/495120615.db2.gz SXLSYLPSIMSFJQ-UHFFFAOYSA-N -1 3 368.368 3.009 20 0 FGADHM CCC[C@H](C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1)C(C)C ZINC000134344280 495137188 /nfs/dbraw/zinc/13/71/88/495137188.db2.gz NOXCKSPKQROFGS-AWEZNQCLSA-N -1 3 356.488 3.468 20 0 FGADHM CC(C)(C)c1ccc(C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)s1 ZINC000128728701 495142312 /nfs/dbraw/zinc/14/23/12/495142312.db2.gz AWLNLWRZJDWPKM-UHFFFAOYSA-N -1 3 372.490 3.349 20 0 FGADHM O=C([N-]N1CCCCC1=O)c1cccnc1SCc1ccc(F)cc1 ZINC000102641685 495149595 /nfs/dbraw/zinc/14/95/95/495149595.db2.gz CPQMIZQTJRVECE-UHFFFAOYSA-N -1 3 359.426 3.170 20 0 FGADHM O=C(Nc1cc(Br)ccc1[O-])c1cccnc1OCC(F)F ZINC000129119561 495199092 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Cc1ccccc1COC1CCN(C(=O)c2ccc3n[n-]nc3c2)CC1 ZINC000119763298 495235921 /nfs/dbraw/zinc/23/59/21/495235921.db2.gz LYAUXNWLWCHHIG-UHFFFAOYSA-N -1 3 350.422 3.088 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]C[C@H](CCO)CC(C)C)c(Cl)cc1F ZINC000124121343 495236986 /nfs/dbraw/zinc/23/69/86/495236986.db2.gz FHZGGEATCPIMOS-GFCCVEGCSA-N -1 3 351.871 3.111 20 0 FGADHM Cc1csc(-c2cccc(C(=O)Nc3cc(-c4nccn4C)[n-]n3)c2)n1 ZINC000119788364 495241688 /nfs/dbraw/zinc/24/16/88/495241688.db2.gz DTVSCSQXDKKIFN-UHFFFAOYSA-N -1 3 364.434 3.494 20 0 FGADHM Cc1csc(-c2cccc(C(=O)Nc3cc(-c4nccn4C)n[n-]3)c2)n1 ZINC000119788364 495241693 /nfs/dbraw/zinc/24/16/93/495241693.db2.gz DTVSCSQXDKKIFN-UHFFFAOYSA-N -1 3 364.434 3.494 20 0 FGADHM CCCS(=O)(=O)c1ccccc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000129435231 495245221 /nfs/dbraw/zinc/24/52/21/495245221.db2.gz JUWUIELUVQXNFX-UHFFFAOYSA-N -1 3 353.827 3.482 20 0 FGADHM COc1ccccc1C[C@@H]1CCCN1C(=O)c1c[n-]c2ccccc2c1=O ZINC000124207705 495250875 /nfs/dbraw/zinc/25/08/75/495250875.db2.gz 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/nfs/dbraw/zinc/26/87/54/495268754.db2.gz WPGOGULJDQVBOE-UHFFFAOYSA-N -1 3 357.801 3.318 20 0 FGADHM O=C(Cc1ccc(F)c(Br)c1)Nc1nnc(-c2ccco2)[n-]1 ZINC000124322545 495269846 /nfs/dbraw/zinc/26/98/46/495269846.db2.gz OGVSHYIYQHFGDA-UHFFFAOYSA-N -1 3 365.162 3.148 20 0 FGADHM O=C(Cc1ccc(F)c(Br)c1)Nc1nc(-c2ccco2)n[n-]1 ZINC000124322545 495269851 /nfs/dbraw/zinc/26/98/51/495269851.db2.gz OGVSHYIYQHFGDA-UHFFFAOYSA-N -1 3 365.162 3.148 20 0 FGADHM O=C(Cc1ccc(F)c(Br)c1)Nc1n[n-]c(-c2ccco2)n1 ZINC000124322545 495269853 /nfs/dbraw/zinc/26/98/53/495269853.db2.gz OGVSHYIYQHFGDA-UHFFFAOYSA-N -1 3 365.162 3.148 20 0 FGADHM CCSCC[C@@H](C)[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000135344079 495280125 /nfs/dbraw/zinc/28/01/25/495280125.db2.gz LMEXQLCXWOMWCN-SECBINFHSA-N -1 3 370.309 3.398 20 0 FGADHM CCSCC[C@H](C)[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000135344096 495280137 /nfs/dbraw/zinc/28/01/37/495280137.db2.gz LMEXQLCXWOMWCN-VIFPVBQESA-N -1 3 370.309 3.398 20 0 FGADHM O=C(CCOc1ccc(F)cc1Cl)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000104366513 495280427 /nfs/dbraw/zinc/28/04/27/495280427.db2.gz MUNUDZVYCYUYMB-UHFFFAOYSA-N -1 3 361.764 3.067 20 0 FGADHM O=C(CCOc1ccc(F)cc1Cl)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000104366513 495280430 /nfs/dbraw/zinc/28/04/30/495280430.db2.gz MUNUDZVYCYUYMB-UHFFFAOYSA-N -1 3 361.764 3.067 20 0 FGADHM CCCn1c2ccccc2n(CCC(=O)Nc2ccc([O-])cc2F)c1=O ZINC000124405995 495281670 /nfs/dbraw/zinc/28/16/70/495281670.db2.gz FYEFZFBLSXWDGE-UHFFFAOYSA-N -1 3 357.385 3.087 20 0 FGADHM CCCCc1nnc([N-]C(=O)c2cc(N3CCCC3=O)ccc2F)s1 ZINC000129715318 495284641 /nfs/dbraw/zinc/28/46/41/495284641.db2.gz VCXMEBGRXHVKTQ-UHFFFAOYSA-N -1 3 362.430 3.399 20 0 FGADHM O=C(Nc1ccc(CCO)cc1)c1c[n-]nc1-c1cccc(OC(F)F)c1 ZINC000124538229 495303146 /nfs/dbraw/zinc/30/31/46/495303146.db2.gz IFYCLYBUIVNVBL-UHFFFAOYSA-N -1 3 373.359 3.465 20 0 FGADHM O=C(Nc1ccc(CCO)cc1)c1cn[n-]c1-c1cccc(OC(F)F)c1 ZINC000124538229 495303150 /nfs/dbraw/zinc/30/31/50/495303150.db2.gz IFYCLYBUIVNVBL-UHFFFAOYSA-N -1 3 373.359 3.465 20 0 FGADHM CCCOc1cccc(CC[N-]S(=O)(=O)c2sccc2OC)c1 ZINC000135543973 495308922 /nfs/dbraw/zinc/30/89/22/495308922.db2.gz OLESZZAGPZTZTI-UHFFFAOYSA-N -1 3 355.481 3.067 20 0 FGADHM CN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)c1 ZINC000135626342 495320549 /nfs/dbraw/zinc/32/05/49/495320549.db2.gz JBTVTFWCIPYQRG-UHFFFAOYSA-N -1 3 373.261 3.496 20 0 FGADHM O=C(NCc1nncn1C1CC1)c1cc(CCc2ccccc2)ccc1[O-] ZINC000113986540 495342375 /nfs/dbraw/zinc/34/23/75/495342375.db2.gz STYXDHQTWCTZLI-UHFFFAOYSA-N -1 3 362.433 3.034 20 0 FGADHM Cc1ccc([N-]S(=O)(=O)c2ccccc2OC(F)F)c(CN(C)C)c1 ZINC000114054097 495346615 /nfs/dbraw/zinc/34/66/15/495346615.db2.gz BARQZLMPFSFJLR-UHFFFAOYSA-N -1 3 370.421 3.459 20 0 FGADHM O=C(Cc1ccc([O-])cc1Cl)NCc1ccnc(OCC(F)(F)F)c1 ZINC000136164180 495360584 /nfs/dbraw/zinc/36/05/84/495360584.db2.gz NOENVRSOIWZHRB-UHFFFAOYSA-N -1 3 374.746 3.241 20 0 FGADHM CCC[C@@H]1CCc2nc(NC(=O)CCc3c(C)nc(C)[n-]c3=O)sc2C1 ZINC000124897995 495361411 /nfs/dbraw/zinc/36/14/11/495361411.db2.gz 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ZINC000114557853 495392319 /nfs/dbraw/zinc/39/23/19/495392319.db2.gz YIWBDXDQHLUFJD-AVRDEDQJSA-N -1 3 368.477 3.346 20 0 FGADHM Cc1ccc([O-])c(C(=O)N2CCC(C(=O)N3CCc4ccccc43)CC2)c1 ZINC000120528101 495398511 /nfs/dbraw/zinc/39/85/11/495398511.db2.gz BTARPSPKJPVRRO-UHFFFAOYSA-N -1 3 364.445 3.142 20 0 FGADHM CCOC(=O)c1nnsc1[N-]C(=O)COc1ccccc1C(C)(C)C ZINC000106102232 495414133 /nfs/dbraw/zinc/41/41/33/495414133.db2.gz WHKIHWUGCNRGBL-UHFFFAOYSA-N -1 3 363.439 3.030 20 0 FGADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1cccc(OC2CCCC2)c1 ZINC000136997227 495416806 /nfs/dbraw/zinc/41/68/06/495416806.db2.gz HPPMNIUHRPSZBS-UHFFFAOYSA-N -1 3 363.421 3.364 20 0 FGADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1cccc(OC2CCCC2)c1 ZINC000136997227 495416807 /nfs/dbraw/zinc/41/68/07/495416807.db2.gz HPPMNIUHRPSZBS-UHFFFAOYSA-N -1 3 363.421 3.364 20 0 FGADHM Cc1nc(C)c(CCC(=O)N[C@H](c2ccc(F)cc2)C(C)(C)C)c(=O)[n-]1 ZINC000130649070 495424050 /nfs/dbraw/zinc/42/40/50/495424050.db2.gz GSMJZOPVOWHKDM-GOSISDBHSA-N -1 3 359.445 3.362 20 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/nfs/dbraw/zinc/45/10/44/495451044.db2.gz UJPAKLXMPLPVCX-UHFFFAOYSA-N -1 3 356.455 3.006 20 0 FGADHM Cc1nc(CC(C)C)c(C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)s1 ZINC000120756513 495451048 /nfs/dbraw/zinc/45/10/48/495451048.db2.gz UJPAKLXMPLPVCX-UHFFFAOYSA-N -1 3 356.455 3.006 20 0 FGADHM COc1ccc(C(F)(F)C(=O)[N-]C2(c3noc(C)n3)CCCC2)cc1 ZINC000120754412 495451162 /nfs/dbraw/zinc/45/11/62/495451162.db2.gz DTNVUMMEIOKHSV-UHFFFAOYSA-N -1 3 351.353 3.064 20 0 FGADHM CC(C)C[C@H](C)Oc1cc(CNC(=O)c2cc(=O)[n-]c(C3CC3)n2)ccn1 ZINC000571653737 505783746 /nfs/dbraw/zinc/78/37/46/505783746.db2.gz JWOCNVHFSLQPGG-ZDUSSCGKSA-N -1 3 370.453 3.198 20 0 FGADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1cc(Oc2ccccc2)ccn1 ZINC000120806768 495461226 /nfs/dbraw/zinc/46/12/26/495461226.db2.gz OBMJYCPLLSXRRK-UHFFFAOYSA-N -1 3 372.388 3.230 20 0 FGADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1cc(Oc2ccccc2)ccn1 ZINC000120806768 495461229 /nfs/dbraw/zinc/46/12/29/495461229.db2.gz OBMJYCPLLSXRRK-UHFFFAOYSA-N -1 3 372.388 3.230 20 0 FGADHM COc1cc(F)c([N-]C(=O)c2cnc(-c3cnn(C)c3)s2)cc1F ZINC000125789691 495499176 /nfs/dbraw/zinc/49/91/76/495499176.db2.gz DIWKIQOFTYMSPE-UHFFFAOYSA-N -1 3 350.350 3.083 20 0 FGADHM Cc1cn([C@@H](C)c2ccccc2)nc1-n1c([O-])c(CC(F)(F)F)[nH]c1=O ZINC000571666511 505786203 /nfs/dbraw/zinc/78/62/03/505786203.db2.gz GEQAXQXZDTWIEN-AAEUAGOBSA-N -1 3 366.343 3.178 20 0 FGADHM O=c1nc(CN(CC(F)F)C2CC2)[n-]c2scc(-c3ccco3)c21 ZINC000106871542 495505189 /nfs/dbraw/zinc/50/51/89/495505189.db2.gz HHXBQVNZRAJBIR-UHFFFAOYSA-N -1 3 351.378 3.474 20 0 FGADHM CCN(CC)C(=O)Cc1ccc(NC(=O)c2cc(C)cc(OC)c2[O-])cc1 ZINC000106905490 495509211 /nfs/dbraw/zinc/50/92/11/495509211.db2.gz CUFJXOHIEVQREH-UHFFFAOYSA-N -1 3 370.449 3.372 20 0 FGADHM CCc1[nH]n(C)c2nnc([N-]C(=O)c3cc(-c4ccc(Cl)cc4)on3)c1-2 ZINC000115499211 495511415 /nfs/dbraw/zinc/51/14/15/495511415.db2.gz SGHXZWKSKUQPIL-UHFFFAOYSA-N -1 3 370.800 3.420 20 0 FGADHM CCCCOc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1OC ZINC000121063311 495516029 /nfs/dbraw/zinc/51/60/29/495516029.db2.gz ILXRRKMBGFXWHC-UHFFFAOYSA-N -1 3 367.409 3.307 20 0 FGADHM CCCCOc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1OC ZINC000121063311 495516033 /nfs/dbraw/zinc/51/60/33/495516033.db2.gz ILXRRKMBGFXWHC-UHFFFAOYSA-N -1 3 367.409 3.307 20 0 FGADHM COCCN(Cc1ccc(F)cc1Cl)C(=O)c1ccc(OC)cc1[O-] ZINC000107158284 495522832 /nfs/dbraw/zinc/52/28/32/495522832.db2.gz XTIVCEBMAJOURQ-UHFFFAOYSA-N -1 3 367.804 3.482 20 0 FGADHM COc1ccccc1CCC[S@](=O)Cc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000182359725 495532681 /nfs/dbraw/zinc/53/26/81/495532681.db2.gz NZJFVBZUBVIFCE-VWLOTQADSA-N -1 3 374.384 3.091 20 0 FGADHM Cn1ncc2c1ncc(C(=O)Nc1ccc(Cl)c(OC(F)F)c1)c2[O-] ZINC000182372311 495537510 /nfs/dbraw/zinc/53/75/10/495537510.db2.gz IXWZWCNFBMRGIK-UHFFFAOYSA-N -1 3 368.727 3.181 20 0 FGADHM COc1cccc(CS(=O)(=O)[N-][C@H](c2nc(C)cs2)C2CC2)c1 ZINC000173468915 495544242 /nfs/dbraw/zinc/54/42/42/495544242.db2.gz KCGPRAJLAFXXRV-HNNXBMFYSA-N -1 3 352.481 3.031 20 0 FGADHM CCCCNC(=O)C1CCN(Cc2cc([O-])ccc2Br)CC1 ZINC000179331377 495545657 /nfs/dbraw/zinc/54/56/57/495545657.db2.gz GCTADLNDBWTHIS-UHFFFAOYSA-N -1 3 369.303 3.283 20 0 FGADHM CCOC(=O)[C@H](Cc1ccccc1)N(C(=O)c1cccc([O-])c1)C1CC1 ZINC000182394940 495547043 /nfs/dbraw/zinc/54/70/43/495547043.db2.gz RUCIMKYITSJMHK-IBGZPJMESA-N -1 3 353.418 3.171 20 0 FGADHM CCOC(=O)[C@@H]([N-]S(=O)(=O)Cc1ccccc1)c1cccc(C)c1C ZINC000185367788 495550654 /nfs/dbraw/zinc/55/06/54/495550654.db2.gz DBUORIOOZREZHB-SFHVURJKSA-N -1 3 361.463 3.027 20 0 FGADHM CCc1nc(CN2CCC(CNC(=O)c3cccc([O-])c3)CC2)cs1 ZINC000182424671 495559372 /nfs/dbraw/zinc/55/93/72/495559372.db2.gz WXRVTAFBLLKNQG-UHFFFAOYSA-N -1 3 359.495 3.053 20 0 FGADHM O=S(=O)([N-]C[C@@H]1CCCO[C@H]1c1ccccc1)c1cc(F)cc(F)c1 ZINC000146317506 495564994 /nfs/dbraw/zinc/56/49/94/495564994.db2.gz UKGAVWHIKCCQOO-KSSFIOAISA-N -1 3 367.417 3.411 20 0 FGADHM COCCn1c2ccccc2nc1NC(=O)c1c[n-]nc1-c1ccccc1 ZINC000185425827 495572010 /nfs/dbraw/zinc/57/20/10/495572010.db2.gz DRFITXIPXSLXJQ-UHFFFAOYSA-N -1 3 361.405 3.325 20 0 FGADHM COCCn1c2ccccc2nc1NC(=O)c1cn[n-]c1-c1ccccc1 ZINC000185425827 495572020 /nfs/dbraw/zinc/57/20/20/495572020.db2.gz DRFITXIPXSLXJQ-UHFFFAOYSA-N -1 3 361.405 3.325 20 0 FGADHM O=C(Cc1ccc([O-])cc1Cl)Nc1cccn(Cc2ccccc2)c1=O ZINC000158861351 495603049 /nfs/dbraw/zinc/60/30/49/495603049.db2.gz RAKJREMKURCXJE-UHFFFAOYSA-N -1 3 368.820 3.437 20 0 FGADHM O=C(CSCC(F)(F)F)NCc1ccc([O-])c(Br)c1 ZINC000154403844 495605626 /nfs/dbraw/zinc/60/56/26/495605626.db2.gz YHQXRRNQUXEVAN-UHFFFAOYSA-N -1 3 358.179 3.066 20 0 FGADHM CCOc1cccnc1C(=O)[N-]c1nnc(Cc2ccc(C)cc2)s1 ZINC000176338548 495607042 /nfs/dbraw/zinc/60/70/42/495607042.db2.gz FFRCCEYPBMUIEG-UHFFFAOYSA-N -1 3 354.435 3.483 20 0 FGADHM CNC(=O)c1ccc([N-]S(=O)(=O)c2cccc(Cl)c2C)c(Cl)c1 ZINC000158881375 495607467 /nfs/dbraw/zinc/60/74/67/495607467.db2.gz MMDHGHVIEMNOHE-UHFFFAOYSA-N -1 3 373.261 3.462 20 0 FGADHM O=C(Nc1cccnc1-n1cncn1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000179482764 495609133 /nfs/dbraw/zinc/60/91/33/495609133.db2.gz PPCWCHYBRPQOPK-UHFFFAOYSA-N -1 3 373.372 3.413 20 0 FGADHM CC(C)C1(CNC(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)CC1 ZINC000176355497 495617580 /nfs/dbraw/zinc/61/75/80/495617580.db2.gz NJTJWXZQSNIYAI-UHFFFAOYSA-N -1 3 359.470 3.189 20 0 FGADHM Cc1cnc(CCN(C)CCOc2ccc(C(=O)[O-])cc2Cl)s1 ZINC000574524480 505793119 /nfs/dbraw/zinc/79/31/19/505793119.db2.gz BTSUYTNMBVWKPS-UHFFFAOYSA-N -1 3 354.859 3.356 20 0 FGADHM O=C(c1cccc([O-])c1)N1C[C@H](CCN2CCCC2=O)c2ccccc21 ZINC000182576382 495622405 /nfs/dbraw/zinc/62/24/05/495622405.db2.gz WDSYRUDKUVBMEV-INIZCTEOSA-N -1 3 350.418 3.149 20 0 FGADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1ccc(Br)c(Cl)c1 ZINC000150757886 495624060 /nfs/dbraw/zinc/62/40/60/495624060.db2.gz DSNRNKCQTXZYMN-UHFFFAOYSA-N -1 3 369.528 3.492 20 0 FGADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1ccc(Br)c(Cl)c1 ZINC000150757886 495624063 /nfs/dbraw/zinc/62/40/63/495624063.db2.gz DSNRNKCQTXZYMN-UHFFFAOYSA-N -1 3 369.528 3.492 20 0 FGADHM CC(C)(NC(=O)Cc1ccc([O-])cc1Cl)c1cn(-c2ccccc2)nn1 ZINC000182589208 495627258 /nfs/dbraw/zinc/62/72/58/495627258.db2.gz UXSWWIYUTXEVME-UHFFFAOYSA-N -1 3 370.840 3.220 20 0 FGADHM Cc1cccc([O-])c1NC(=O)Cc1cccc(I)c1 ZINC000179548739 495636585 /nfs/dbraw/zinc/63/65/85/495636585.db2.gz DDLSGCVMUPCGJW-UHFFFAOYSA-N -1 3 367.186 3.486 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)c1ccc(OCC(F)F)cc1)c1nccs1 ZINC000182683422 495663779 /nfs/dbraw/zinc/66/37/79/495663779.db2.gz ZJLKGGHYBISUTE-LBPRGKRZSA-N -1 3 362.423 3.217 20 0 FGADHM COc1cc(C(=O)N[C@@H](C)c2ccccc2-n2cccn2)cc(OC)c1[O-] ZINC000154622642 495674471 /nfs/dbraw/zinc/67/44/71/495674471.db2.gz PFMAVJJVJUVBKG-ZDUSSCGKSA-N -1 3 367.405 3.086 20 0 FGADHM COC1(CNC(=O)NCc2ccc([O-])c(Br)c2)CCCCC1 ZINC000185678309 495675741 /nfs/dbraw/zinc/67/57/41/495675741.db2.gz RNGCIHXSKPGVBF-UHFFFAOYSA-N -1 3 371.275 3.303 20 0 FGADHM COc1ccc([C@H](C)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)cc1F ZINC000182727494 495679423 /nfs/dbraw/zinc/67/94/23/495679423.db2.gz XNSWDUSOLKQPKZ-NSHDSACASA-N -1 3 368.430 3.388 20 0 FGADHM O=C(Nc1ccc(-c2cn3c(n2)CCCC3)cc1)c1cccc2nn[n-]c21 ZINC000182733790 495681492 /nfs/dbraw/zinc/68/14/92/495681492.db2.gz JROOEUUGHXFAFL-UHFFFAOYSA-N -1 3 358.405 3.410 20 0 FGADHM O=C(Nc1ccc(-c2cn3c(n2)CCCC3)cc1)c1cccc2[n-]nnc21 ZINC000182733790 495681495 /nfs/dbraw/zinc/68/14/95/495681495.db2.gz JROOEUUGHXFAFL-UHFFFAOYSA-N -1 3 358.405 3.410 20 0 FGADHM O=C(Nc1ccc(-c2cn3c(n2)CCCC3)cc1)c1cccc2n[n-]nc21 ZINC000182733790 495681499 /nfs/dbraw/zinc/68/14/99/495681499.db2.gz JROOEUUGHXFAFL-UHFFFAOYSA-N -1 3 358.405 3.410 20 0 FGADHM Cc1nn(-c2ccccc2C)c(C)c1CN(C)C(=O)c1cccc2[n-]nnc21 ZINC000182738625 495683670 /nfs/dbraw/zinc/68/36/70/495683670.db2.gz IYXZBSOTPPKJQP-UHFFFAOYSA-N -1 3 374.448 3.341 20 0 FGADHM Cc1nn(-c2ccccc2C)c(C)c1CN(C)C(=O)c1cccc2nn[n-]c21 ZINC000182738625 495683677 /nfs/dbraw/zinc/68/36/77/495683677.db2.gz IYXZBSOTPPKJQP-UHFFFAOYSA-N -1 3 374.448 3.341 20 0 FGADHM Cc1nn(-c2ccccc2C)c(C)c1CN(C)C(=O)c1cccc2n[n-]nc21 ZINC000182738625 495683682 /nfs/dbraw/zinc/68/36/82/495683682.db2.gz IYXZBSOTPPKJQP-UHFFFAOYSA-N -1 3 374.448 3.341 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)[C@@H](C)COc3ccccc3)[n-]c21 ZINC000159275430 495699881 /nfs/dbraw/zinc/69/98/81/495699881.db2.gz ZTGXOMSAKLHGBS-LBPRGKRZSA-N -1 3 353.378 3.003 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@@H](C)COc3ccccc3)nc21 ZINC000159275430 495699887 /nfs/dbraw/zinc/69/98/87/495699887.db2.gz ZTGXOMSAKLHGBS-LBPRGKRZSA-N -1 3 353.378 3.003 20 0 FGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C(C)=C2CCCC2)cc1OC ZINC000176567716 495702180 /nfs/dbraw/zinc/70/21/80/495702180.db2.gz STBUGEZHFXCJDM-UHFFFAOYSA-N -1 3 352.456 3.286 20 0 FGADHM CCc1cnc(C[N-]S(=O)(=O)c2ccccc2C(F)(F)F)s1 ZINC000173813126 495703279 /nfs/dbraw/zinc/70/32/79/495703279.db2.gz DFWFCLJXIDNZMM-UHFFFAOYSA-N -1 3 350.387 3.203 20 0 FGADHM O=S(=O)(Cc1noc2ccccc21)[N-]Cc1cc(-c2ccccc2)on1 ZINC000185748980 495708675 /nfs/dbraw/zinc/70/86/75/495708675.db2.gz AKOZFRDXJAKBCO-UHFFFAOYSA-N -1 3 369.402 3.102 20 0 FGADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3c[nH]nc3-c3ccccc3)cc2)n1 ZINC000173826867 495709147 /nfs/dbraw/zinc/70/91/47/495709147.db2.gz DYPXFGLEPFLDNU-UHFFFAOYSA-N -1 3 371.400 3.388 20 0 FGADHM Cc1c(C(=O)[N-]c2n[nH]c(-c3ccc(C)cc3)n2)oc2c1C(=O)CCC2 ZINC000171109088 495727299 /nfs/dbraw/zinc/72/72/99/495727299.db2.gz VLTZJOWIBISONO-UHFFFAOYSA-N -1 3 350.378 3.453 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H]2C2CCC2)c1 ZINC000185820247 495737782 /nfs/dbraw/zinc/73/77/82/495737782.db2.gz ILAGTUYYUOLYDI-KRWDZBQOSA-N -1 3 369.421 3.346 20 0 FGADHM CO[C@H](C)c1cccc(NC(=O)CCNC(=O)c2ccc(C)cc2[O-])c1 ZINC000171187105 495760642 /nfs/dbraw/zinc/76/06/42/495760642.db2.gz CKYNTUUEQVMVEL-CQSZACIVSA-N -1 3 356.422 3.167 20 0 FGADHM COc1cccc([C@@H](C)C(=O)Nc2cc(C)ccc2[N-]S(C)(=O)=O)c1 ZINC000173970677 495769513 /nfs/dbraw/zinc/76/95/13/495769513.db2.gz JRVIRTFSZOAVSR-CYBMUJFWSA-N -1 3 362.451 3.117 20 0 FGADHM Cc1ccc(O[C@@H](C)C(=O)Nc2cc(C)ccc2[N-]S(C)(=O)=O)cc1 ZINC000173981444 495773859 /nfs/dbraw/zinc/77/38/59/495773859.db2.gz BFQPLQKDWOUHTK-AWEZNQCLSA-N -1 3 362.451 3.081 20 0 FGADHM COc1cccc(C(=O)N2CCN(Cc3ccccc3Cl)CC2)c1[O-] ZINC000151291696 495795852 /nfs/dbraw/zinc/79/58/52/495795852.db2.gz FEUPIKZIMXDJAY-UHFFFAOYSA-N -1 3 360.841 3.012 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)CCC(C)(C)C)c1nc(-c2cccc(F)c2)no1 ZINC000174045229 495801632 /nfs/dbraw/zinc/80/16/32/495801632.db2.gz VECUCZSOCHCZCT-LLVKDONJSA-N -1 3 355.435 3.292 20 0 FGADHM C[C@H]1CN(CC2CCN(C(=O)c3ccc(Cl)cc3[O-])CC2)C[C@H](C)O1 ZINC000171275784 495801747 /nfs/dbraw/zinc/80/17/47/495801747.db2.gz COMGZOZRBYBPEI-KBPBESRZSA-N -1 3 366.889 3.007 20 0 FGADHM CSCCCCC[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000185977842 495807636 /nfs/dbraw/zinc/80/76/36/495807636.db2.gz XLLPEQINTMDSSN-UHFFFAOYSA-N -1 3 370.309 3.400 20 0 FGADHM Cc1cccc([O-])c1NC(=O)c1cccc(NC(=O)CCn2ccnc2)c1 ZINC000183058281 495816769 /nfs/dbraw/zinc/81/67/69/495816769.db2.gz WJIXDLWQQLPYCX-UHFFFAOYSA-N -1 3 364.405 3.178 20 0 FGADHM Cc1cc(C(=O)NCc2ccc([O-])c(F)c2)nn1-c1ccc(F)cc1F ZINC000151378439 495820958 /nfs/dbraw/zinc/82/09/58/495820958.db2.gz CKLSBCRSNRZHDP-UHFFFAOYSA-N -1 3 361.323 3.234 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2Cc3ccccc3C2)c1 ZINC000186062004 495841077 /nfs/dbraw/zinc/84/10/77/495841077.db2.gz WMAUGPGGQFQEPH-UHFFFAOYSA-N -1 3 363.373 3.097 20 0 FGADHM CCc1ccc(N2CCN(C(=O)c3c[n-]c4ccccc4c3=O)CC2)cc1 ZINC000174206609 495863293 /nfs/dbraw/zinc/86/32/93/495863293.db2.gz VZKWRBHJAHNMBN-UHFFFAOYSA-N -1 3 361.445 3.053 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-][C@H]1CCCOc2cc(F)ccc21 ZINC000180129204 495870341 /nfs/dbraw/zinc/87/03/41/495870341.db2.gz VTABIQXGXCEIFV-LBPRGKRZSA-N -1 3 357.428 3.088 20 0 FGADHM C[C@@H]1C[C@H](NC(=O)c2cc(F)c([O-])c(F)c2)CCN1Cc1ccccc1 ZINC000180132183 495872027 /nfs/dbraw/zinc/87/20/27/495872027.db2.gz JTYCLICQMKOONU-CZUORRHYSA-N -1 3 360.404 3.453 20 0 FGADHM COc1ccc(OC)c(CN2CCC(C(=O)Nc3ccccc3[O-])CC2)c1 ZINC000151607994 495892236 /nfs/dbraw/zinc/89/22/36/495892236.db2.gz QVUZOGMIVXJXSU-UHFFFAOYSA-N -1 3 370.449 3.260 20 0 FGADHM O=C([N-]c1nc(-c2cccs2)ns1)c1cnc(C(F)(F)F)nc1 ZINC000160148150 495896287 /nfs/dbraw/zinc/89/62/87/495896287.db2.gz ZLHZBRJIIPXCDT-UHFFFAOYSA-N -1 3 357.342 3.328 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)c1cc(C(=O)OC)co1)c1ccc(Cl)cc1 ZINC000151644209 495904303 /nfs/dbraw/zinc/90/43/03/495904303.db2.gz YWCOCHXSAHJAEW-ZDUSSCGKSA-N -1 3 357.815 3.149 20 0 FGADHM Cc1nc2c(c(C(F)(F)F)n1)C[C@@H](C(=O)Nc1ccc([O-])cc1F)CC2 ZINC000183264684 495906027 /nfs/dbraw/zinc/90/60/27/495906027.db2.gz VUWUESVDXBTZMJ-VIFPVBQESA-N -1 3 369.318 3.392 20 0 FGADHM CCOC(=O)c1cc(NC(=O)c2cccc(-c3ccccn3)c2C)n[n-]1 ZINC000183279110 495912674 /nfs/dbraw/zinc/91/26/74/495912674.db2.gz FCTZXMSLRYYFEV-UHFFFAOYSA-N -1 3 350.378 3.209 20 0 FGADHM CCOC(=O)c1cc(NC(=O)c2cccc(-c3ccccn3)c2C)[n-]n1 ZINC000183279110 495912681 /nfs/dbraw/zinc/91/26/81/495912681.db2.gz FCTZXMSLRYYFEV-UHFFFAOYSA-N -1 3 350.378 3.209 20 0 FGADHM CCCCCNC(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000183287915 495915820 /nfs/dbraw/zinc/91/58/20/495915820.db2.gz OUTPOMCBMHTLFO-UHFFFAOYSA-N -1 3 361.467 3.258 20 0 FGADHM O=c1cc(C(F)(F)F)nc(C[S@@](=O)Cc2cccc(Cl)c2)[n-]1 ZINC000155322625 495919525 /nfs/dbraw/zinc/91/95/25/495919525.db2.gz IPBAJNURSAYGOE-JOCHJYFZSA-N -1 3 350.749 3.303 20 0 FGADHM Cc1ccccc1[C@@H]1CN(C(=O)c2c[n-]c3ccccc3c2=O)[C@@H](C)CO1 ZINC000174346336 495921026 /nfs/dbraw/zinc/92/10/26/495921026.db2.gz YUODRZREWNHLEO-YWZLYKJASA-N -1 3 362.429 3.439 20 0 FGADHM Cc1ccccc1[C@H](CC(=O)N1CC[C@H](C)c2cccc([O-])c21)NC(N)=O ZINC000186279438 495926152 /nfs/dbraw/zinc/92/61/52/495926152.db2.gz AYUVIRPRRKUJAL-YOEHRIQHSA-N -1 3 367.449 3.341 20 0 FGADHM CC(=O)NCCc1ccc(S(=O)(=O)[N-]CC2(C)CCCCCC2)s1 ZINC000183370919 495950451 /nfs/dbraw/zinc/95/04/51/495950451.db2.gz FBDCVMJBZSNYSB-UHFFFAOYSA-N -1 3 372.556 3.066 20 0 FGADHM CCC(CC)c1nnc([N-]C(=O)c2csc(S(C)(=O)=O)c2)s1 ZINC000155460512 495963438 /nfs/dbraw/zinc/96/34/38/495963438.db2.gz YSDMTWXAHULXBD-UHFFFAOYSA-N -1 3 359.498 3.159 20 0 FGADHM CC(C)c1cc(C(=O)N2CC[C@@H](N3CCOCC3)C2)c([O-])c(C(C)C)c1 ZINC000174494749 495982771 /nfs/dbraw/zinc/98/27/71/495982771.db2.gz MQWLRNDQIIUWDY-QGZVFWFLSA-N -1 3 360.498 3.186 20 0 FGADHM CCCCOc1ccc(C(=O)NCC(=O)Nc2cccc([O-])c2F)cc1 ZINC000155530215 495985469 /nfs/dbraw/zinc/98/54/69/495985469.db2.gz VVAMREWAKZDLIL-UHFFFAOYSA-N -1 3 360.385 3.079 20 0 FGADHM COC(=O)c1coc(C(=O)[N-]c2ccc(OC(F)F)c3cccnc23)c1 ZINC000186419699 495991351 /nfs/dbraw/zinc/99/13/51/495991351.db2.gz LOCGSSXWBADARZ-UHFFFAOYSA-N -1 3 362.288 3.468 20 0 FGADHM CCOc1cc(C(=O)NCc2cccc(CN(C)C)c2)cc(Cl)c1[O-] ZINC000186445769 496001139 /nfs/dbraw/zinc/00/11/39/496001139.db2.gz ATAMGONUBSNIAG-UHFFFAOYSA-N -1 3 362.857 3.436 20 0 FGADHM COc1nnc(NC(=O)c2nc(-c3ccc(Cl)c(Cl)c3)oc2C)[n-]1 ZINC000183501179 496011977 /nfs/dbraw/zinc/01/19/77/496011977.db2.gz YXOARCNXALFQKN-UHFFFAOYSA-N -1 3 368.180 3.336 20 0 FGADHM COc1n[n-]c(NC(=O)c2nc(-c3ccc(Cl)c(Cl)c3)oc2C)n1 ZINC000183501179 496011980 /nfs/dbraw/zinc/01/19/80/496011980.db2.gz YXOARCNXALFQKN-UHFFFAOYSA-N -1 3 368.180 3.336 20 0 FGADHM COc1nc(NC(=O)c2nc(-c3ccc(Cl)c(Cl)c3)oc2C)n[n-]1 ZINC000183501179 496011988 /nfs/dbraw/zinc/01/19/88/496011988.db2.gz YXOARCNXALFQKN-UHFFFAOYSA-N -1 3 368.180 3.336 20 0 FGADHM Cc1cccc2c(=O)c(C(=O)Nc3ccc(CC(=O)N(C)C)cc3)c[n-]c12 ZINC000155615634 496013270 /nfs/dbraw/zinc/01/32/70/496013270.db2.gz XVUIFCPPDNANLY-UHFFFAOYSA-N -1 3 363.417 3.132 20 0 FGADHM O=C(N[C@@H]1CCC[C@@H]2OCC[C@@H]21)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000186488305 496016385 /nfs/dbraw/zinc/01/63/85/496016385.db2.gz WZBIPJISYPWFIB-JLLWLGSASA-N -1 3 351.859 3.479 20 0 FGADHM Cn1cc(NC(=O)c2c[n-]nc2-c2ccc(Cl)s2)cc(Cl)c1=O ZINC000186490192 496017587 /nfs/dbraw/zinc/01/75/87/496017587.db2.gz ORQRVVMRPZMZEJ-UHFFFAOYSA-N -1 3 369.233 3.396 20 0 FGADHM Cn1cc(NC(=O)c2cn[n-]c2-c2ccc(Cl)s2)cc(Cl)c1=O ZINC000186490192 496017592 /nfs/dbraw/zinc/01/75/92/496017592.db2.gz ORQRVVMRPZMZEJ-UHFFFAOYSA-N -1 3 369.233 3.396 20 0 FGADHM COC(=O)[C@@]1(C)CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000177393769 496043889 /nfs/dbraw/zinc/04/38/89/496043889.db2.gz BAIKZVPAWWAHQM-NRFANRHFSA-N -1 3 353.418 3.008 20 0 FGADHM CCCCc1nc(CN2CCN(C(=O)c3cccc([O-])c3)CC2)cs1 ZINC000174668709 496054134 /nfs/dbraw/zinc/05/41/34/496054134.db2.gz DDUINJHZMIKIKP-UHFFFAOYSA-N -1 3 359.495 3.149 20 0 FGADHM Cc1cc([N-]C(=O)[C@H](C)Nc2cc(F)c(Br)c(F)c2)on1 ZINC000180599247 496062477 /nfs/dbraw/zinc/06/24/77/496062477.db2.gz YPKGSTNSMCOXFH-ZETCQYMHSA-N -1 3 360.158 3.463 20 0 FGADHM CCC1(C(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)CCC1 ZINC000177440474 496062691 /nfs/dbraw/zinc/06/26/91/496062691.db2.gz KUGDDCXZDJAVIJ-UHFFFAOYSA-N -1 3 356.463 3.421 20 0 FGADHM O=C(Nc1ccccc1[O-])C1CCN(C[C@H](O)c2cccc(Cl)c2)CC1 ZINC000174694273 496065274 /nfs/dbraw/zinc/06/52/74/496065274.db2.gz VCSGQGZVWLPKQG-IBGZPJMESA-N -1 3 374.868 3.430 20 0 FGADHM O=C([O-])[C@H]1C[C@H](NCc2cc(C(F)(F)F)ccc2Br)C1 ZINC000571820981 505821646 /nfs/dbraw/zinc/82/16/46/505821646.db2.gz 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ZINC000157436156 496477525 /nfs/dbraw/zinc/47/75/25/496477525.db2.gz KJEIATDQXLAYSQ-UHFFFAOYSA-N -1 3 361.364 3.449 20 0 FGADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@@H](C)c1cc(C)sc1C ZINC000178507646 496480385 /nfs/dbraw/zinc/48/03/85/496480385.db2.gz PAVCEOGSYZIJBE-JTQLQIEISA-N -1 3 371.455 3.330 20 0 FGADHM CCC1(CC)CN(Cc2cc([O-])ccc2Br)CC[S@@]1=O ZINC000187553627 496487393 /nfs/dbraw/zinc/48/73/93/496487393.db2.gz DIDPWLQGSBPKRP-FQEVSTJZSA-N -1 3 360.317 3.278 20 0 FGADHM CCC1(CC)CN(Cc2cc([O-])ccc2Br)CC[S@]1=O ZINC000187553652 496487578 /nfs/dbraw/zinc/48/75/78/496487578.db2.gz DIDPWLQGSBPKRP-HXUWFJFHSA-N -1 3 360.317 3.278 20 0 FGADHM CC(C)CC[C@H]1CCCCN1C(=O)c1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000163316326 496497424 /nfs/dbraw/zinc/49/74/24/496497424.db2.gz JINBQFQYVXFSQQ-DYESRHJHSA-N -1 3 371.481 3.172 20 0 FGADHM COCCN(Cc1ccc(C)o1)C(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000163446301 496516458 /nfs/dbraw/zinc/51/64/58/496516458.db2.gz FIFKPCNKEUXCMT-UHFFFAOYSA-N -1 3 372.396 3.166 20 0 FGADHM Cc1ccc(C(=O)N2CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000163472302 496520430 /nfs/dbraw/zinc/52/04/30/496520430.db2.gz KINMKHYEVCPUOE-HUUCEWRRSA-N -1 3 362.470 3.466 20 0 FGADHM CCOc1ccc([C@@H](C)NC(=O)c2cccc3nn[n-]c32)cc1OCC ZINC000163514159 496527345 /nfs/dbraw/zinc/52/73/45/496527345.db2.gz QNKKDTZEMRFMHP-GFCCVEGCSA-N -1 3 354.410 3.246 20 0 FGADHM CCOc1ccc([C@@H](C)NC(=O)c2cccc3[n-]nnc32)cc1OCC ZINC000163514159 496527349 /nfs/dbraw/zinc/52/73/49/496527349.db2.gz QNKKDTZEMRFMHP-GFCCVEGCSA-N -1 3 354.410 3.246 20 0 FGADHM CCOc1ccc([C@@H](C)NC(=O)c2cccc3n[n-]nc32)cc1OCC ZINC000163514159 496527353 /nfs/dbraw/zinc/52/73/53/496527353.db2.gz QNKKDTZEMRFMHP-GFCCVEGCSA-N -1 3 354.410 3.246 20 0 FGADHM Cc1cccc(N2CCN(C(=O)NCc3ccc([O-])c(F)c3)CC2)c1C ZINC000163638946 496540940 /nfs/dbraw/zinc/54/09/40/496540940.db2.gz PIEXUWXECJDUAB-UHFFFAOYSA-N -1 3 357.429 3.180 20 0 FGADHM Cc1c2cc(C)ccc2[nH]c1C(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000163966793 496575317 /nfs/dbraw/zinc/57/53/17/496575317.db2.gz AVVBWIKELPRWKQ-UHFFFAOYSA-N -1 3 357.435 3.409 20 0 FGADHM Cc1cccc(C)c1NC(=O)CNC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000184908891 496580784 /nfs/dbraw/zinc/58/07/84/496580784.db2.gz WXPTXRVRMWTTGR-UHFFFAOYSA-N -1 3 352.434 3.256 20 0 FGADHM CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)C=Cc1cncc([O-])c1 ZINC000181895627 496590884 /nfs/dbraw/zinc/59/08/84/496590884.db2.gz WYXYVALEOMJAOZ-MDZDMXLPSA-N -1 3 362.433 3.282 20 0 FGADHM CC(C)c1cc(C(=O)N[C@@H](C)CCS(C)(=O)=O)c([O-])c(C(C)C)c1 ZINC000153829330 496593100 /nfs/dbraw/zinc/59/31/00/496593100.db2.gz CMPOECCBOPAWQN-ZDUSSCGKSA-N -1 3 355.500 3.192 20 0 FGADHM CCO[C@@H]1C[C@H](N(C)C(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)C12CCC2 ZINC000164264769 496599046 /nfs/dbraw/zinc/59/90/46/496599046.db2.gz DRSWYFXFLQWYIN-DLBZAZTESA-N -1 3 372.440 3.395 20 0 FGADHM O=C(NCc1nc2ccccc2n1C1CC1)NCc1ccc([O-])c(F)c1 ZINC000185007112 496619555 /nfs/dbraw/zinc/61/95/55/496619555.db2.gz PWBUJVMSNIAFOK-UHFFFAOYSA-N -1 3 354.385 3.215 20 0 FGADHM Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)CN1CCC[C@H](C(=O)[O-])C1 ZINC000164583543 496621018 /nfs/dbraw/zinc/62/10/18/496621018.db2.gz YJLSZYBHIICTSL-KRWDZBQOSA-N -1 3 374.525 3.056 20 0 FGADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)Nc1cccc(CC(F)(F)F)c1 ZINC000173284801 496626393 /nfs/dbraw/zinc/62/63/93/496626393.db2.gz FDUNWKKTFOSTLS-UHFFFAOYSA-N -1 3 363.295 3.319 20 0 FGADHM COC(=O)[C@H]1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C[C@@H]1C ZINC000187944205 496626909 /nfs/dbraw/zinc/62/69/09/496626909.db2.gz KWMVKKKBXCXARQ-YJBOKZPZSA-N -1 3 367.445 3.254 20 0 FGADHM C[C@H](O)[C@@H]1CCCN(C(=O)c2cc(OCc3ccccc3)ccc2[O-])C1 ZINC000153932081 496628276 /nfs/dbraw/zinc/62/82/76/496628276.db2.gz FRDWIEJSICTKCS-DOTOQJQBSA-N -1 3 355.434 3.204 20 0 FGADHM C[C@H](NC(=O)NCc1ccc([O-])c(F)c1)c1nc(-c2ccc(F)cc2)no1 ZINC000158168000 496641570 /nfs/dbraw/zinc/64/15/70/496641570.db2.gz LTSQWKJHHOGHAN-JTQLQIEISA-N -1 3 374.347 3.281 20 0 FGADHM Cc1nc(-c2ccccc2)c(C(=O)Nc2cc(-c3nccn3C)[n-]n2)s1 ZINC000179052132 496659356 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CC[S@](=O)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(C)c(Cl)s2)C1 ZINC000188086464 496677399 /nfs/dbraw/zinc/67/73/99/496677399.db2.gz XABKAWIQEXLMLV-MKXJDEKUSA-N -1 3 369.961 3.068 20 0 FGADHM CC(C)c1csc(C[N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)n1 ZINC000154095172 496681893 /nfs/dbraw/zinc/68/18/93/496681893.db2.gz XACPREMRKFILLF-NSHDSACASA-N -1 3 352.481 3.068 20 0 FGADHM CCCCN(CCCO)Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000182135886 496683910 /nfs/dbraw/zinc/68/39/10/496683910.db2.gz DBDOYGJIMPGYRD-UHFFFAOYSA-N -1 3 361.467 3.229 20 0 FGADHM CCN(CC)C(=O)C1(NC(=O)Cc2ccc([O-])cc2Cl)CCCCC1 ZINC000182163947 496693365 /nfs/dbraw/zinc/69/33/65/496693365.db2.gz LRDRGQPXCVUDOG-UHFFFAOYSA-N -1 3 366.889 3.276 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)CCCOc3ccccc3F)[n-]c21 ZINC000158409775 496695687 /nfs/dbraw/zinc/69/56/87/496695687.db2.gz HSVQFEWTIRAJHK-UHFFFAOYSA-N -1 3 371.368 3.286 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)CCCOc3ccccc3F)nc21 ZINC000158409775 496695692 /nfs/dbraw/zinc/69/56/92/496695692.db2.gz HSVQFEWTIRAJHK-UHFFFAOYSA-N -1 3 371.368 3.286 20 0 FGADHM O=S(=O)([N-]C[C@@H]1CCCCS1)c1ccc(Br)s1 ZINC000158466481 496707732 /nfs/dbraw/zinc/70/77/32/496707732.db2.gz LQWJMDDKOLMWJH-QMMMGPOBSA-N -1 3 356.332 3.075 20 0 FGADHM Cc1cnccc1CC[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000167706322 496705092 /nfs/dbraw/zinc/70/50/92/496705092.db2.gz UJRAWLHNQNORKU-UHFFFAOYSA-N -1 3 362.348 3.069 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)CCc3cccc(F)c3F)[n-]c21 ZINC000158457328 496705685 /nfs/dbraw/zinc/70/56/85/496705685.db2.gz VXMJSASQVWYOOU-UHFFFAOYSA-N -1 3 359.332 3.199 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)CCc3cccc(F)c3F)nc21 ZINC000158457328 496705691 /nfs/dbraw/zinc/70/56/91/496705691.db2.gz VXMJSASQVWYOOU-UHFFFAOYSA-N -1 3 359.332 3.199 20 0 FGADHM COCc1nc(S[C@@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)n[n-]1 ZINC000268550834 496733395 /nfs/dbraw/zinc/73/33/95/496733395.db2.gz PPJONCBJJLAMQY-STQMWFEESA-N -1 3 374.510 3.188 20 0 FGADHM CCOC1CC(CC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)C1 ZINC000188290404 496741845 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Cc1ccc(CNC(=O)c2cccc3[n-]nnc32)c(OCC(F)(F)F)c1 ZINC000188352020 496759934 /nfs/dbraw/zinc/75/99/34/496759934.db2.gz KSEVUPVQVCWAQF-UHFFFAOYSA-N -1 3 364.327 3.137 20 0 FGADHM Cc1ccc(CNC(=O)c2cccc3n[n-]nc32)c(OCC(F)(F)F)c1 ZINC000188352020 496759938 /nfs/dbraw/zinc/75/99/38/496759938.db2.gz KSEVUPVQVCWAQF-UHFFFAOYSA-N -1 3 364.327 3.137 20 0 FGADHM COc1ccccc1C[C@@H](CNCc1ccc(Br)o1)C(=O)[O-] ZINC000277412873 496765485 /nfs/dbraw/zinc/76/54/85/496765485.db2.gz SLPGDUALSIOZKX-LBPRGKRZSA-N -1 3 368.227 3.084 20 0 FGADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000277418138 496766665 /nfs/dbraw/zinc/76/66/65/496766665.db2.gz HERQVRXYKOEMPQ-CZUORRHYSA-N -1 3 357.372 3.046 20 0 FGADHM CS(=O)(=O)Cc1cccc(NC(=O)c2ccc3c(c2[O-])CCCC3)c1 ZINC000273354879 496781856 /nfs/dbraw/zinc/78/18/56/496781856.db2.gz YXXOBXDKHQMUAN-UHFFFAOYSA-N -1 3 359.447 3.068 20 0 FGADHM C[C@H](c1cccc(NC([O-])=NOCc2ccc(F)cc2)c1)N1CCOCC1 ZINC000273370083 496786619 /nfs/dbraw/zinc/78/66/19/496786619.db2.gz FXRYXWHVBZAFGT-OAHLLOKOSA-N -1 3 373.428 3.472 20 0 FGADHM C[C@H](c1cccc(NC(=O)[N-]OCc2ccc(F)cc2)c1)N1CCOCC1 ZINC000273370083 496786623 /nfs/dbraw/zinc/78/66/23/496786623.db2.gz FXRYXWHVBZAFGT-OAHLLOKOSA-N -1 3 373.428 3.472 20 0 FGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]CC3(C)CCOCC3)s2)cs1 ZINC000268817954 496794272 /nfs/dbraw/zinc/79/42/72/496794272.db2.gz WLWJSRJCAPYBQQ-UHFFFAOYSA-N -1 3 372.537 3.275 20 0 FGADHM CC[C@H](C(=O)Nc1ccccc1[N-]S(C)(=O)=O)c1ccc(OC)cc1 ZINC000195035994 496798726 /nfs/dbraw/zinc/79/87/26/496798726.db2.gz VPQGFOMJUZWWNR-HNNXBMFYSA-N -1 3 362.451 3.199 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)c1 ZINC000273416962 496800372 /nfs/dbraw/zinc/80/03/72/496800372.db2.gz QZNLNLUZAJPZAA-APWZRJJASA-N -1 3 372.396 3.140 20 0 FGADHM CNC(=O)c1ccc(CN(C)C(=O)c2cc([O-])ccc2C(F)(F)F)cc1 ZINC000188472466 496801477 /nfs/dbraw/zinc/80/14/77/496801477.db2.gz UTAYLHPOHZTMHB-UHFFFAOYSA-N -1 3 366.339 3.043 20 0 FGADHM CC[C@@H]1CC[C@@H](C)N1C(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000273523314 496829288 /nfs/dbraw/zinc/82/92/88/496829288.db2.gz XBQBGOZAWSCKTK-BXUZGUMPSA-N -1 3 357.410 3.344 20 0 FGADHM O=C(Nc1ccccc1[O-])C1CCN(Cc2cccc3nsnc32)CC1 ZINC000268940976 496829860 /nfs/dbraw/zinc/82/98/60/496829860.db2.gz KZLFBCGYXWRODH-UHFFFAOYSA-N -1 3 368.462 3.248 20 0 FGADHM O=S(=O)([N-]C1(c2ccc(Br)cc2)CCC1)c1ccco1 ZINC000188618926 496853508 /nfs/dbraw/zinc/85/35/08/496853508.db2.gz JTHYNHVDNQUWNO-UHFFFAOYSA-N -1 3 356.241 3.400 20 0 FGADHM Cc1ccc(C(=O)CC(C)(C)CC(=O)N2CCc3c(nc[n-]c3=O)C2)cc1 ZINC000273625480 496857137 /nfs/dbraw/zinc/85/71/37/496857137.db2.gz OXVSQVZOOMHLEX-UHFFFAOYSA-N -1 3 367.449 3.065 20 0 FGADHM Cc1nc(C)c(CCC(=O)Nc2ncc(-c3ccc(F)cc3)s2)c(=O)[n-]1 ZINC000191729467 496870205 /nfs/dbraw/zinc/87/02/05/496870205.db2.gz KLAMSMFJKXBRAX-UHFFFAOYSA-N -1 3 372.425 3.221 20 0 FGADHM COc1cc(C)c([N-]S(=O)(=O)c2ccc(OC)c(OC)c2)cc1C ZINC000277752690 496874785 /nfs/dbraw/zinc/87/47/85/496874785.db2.gz ZKHXKGDHNOLOEY-UHFFFAOYSA-N -1 3 351.424 3.130 20 0 FGADHM O=S(=O)(Cc1c(F)cccc1Cl)c1nnc(Cc2ccccc2)[n-]1 ZINC000195288477 496877267 /nfs/dbraw/zinc/87/72/67/496877267.db2.gz IHIHPAALGAGKNX-UHFFFAOYSA-N -1 3 365.817 3.162 20 0 FGADHM CC(C)(C)OC(=O)Nc1ccc(CC[N-]S(=O)(=O)c2ccco2)cc1 ZINC000188756119 496898983 /nfs/dbraw/zinc/89/89/83/496898983.db2.gz IXDYOEILEKVTHF-UHFFFAOYSA-N -1 3 366.439 3.148 20 0 FGADHM CC(=O)c1cccc(NC(=O)CCc2nc(-c3ccsc3)no2)c1[O-] ZINC000578150747 505873158 /nfs/dbraw/zinc/87/31/58/505873158.db2.gz GGZKFIGIKVBQAV-UHFFFAOYSA-N -1 3 357.391 3.278 20 0 FGADHM CCN1CC[C@@H]([N-]S(=O)(=O)c2ccco2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000188807236 496914741 /nfs/dbraw/zinc/91/47/41/496914741.db2.gz PMNWNSVGCUMINU-ZBFHGGJFSA-N -1 3 372.849 3.186 20 0 FGADHM CC(=O)N1CC(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)C1 ZINC000191930733 496935086 /nfs/dbraw/zinc/93/50/86/496935086.db2.gz LUNYXGHJFSCACL-UHFFFAOYSA-N -1 3 367.430 3.086 20 0 FGADHM COc1cc(C(=O)N2CCC[C@@H]2CC(=O)c2ccccc2)cc(OC)c1[O-] ZINC000273874383 496940154 /nfs/dbraw/zinc/94/01/54/496940154.db2.gz RCKUZGFPNUGGSQ-MRXNPFEDSA-N -1 3 369.417 3.287 20 0 FGADHM C[C@H]1CCCN(Cc2csc([N-]C(=O)c3ncc(F)cc3F)n2)C1 ZINC000191959929 496945003 /nfs/dbraw/zinc/94/50/03/496945003.db2.gz UQTWRCPYHAJKTN-JTQLQIEISA-N -1 3 352.410 3.301 20 0 FGADHM O=c1[nH]c(CC(F)(F)F)c([O-])n1-c1ccc2oc(C(F)(F)F)nc2c1 ZINC000277948269 496947100 /nfs/dbraw/zinc/94/71/00/496947100.db2.gz CHFJJRQLNWHEJL-ZETCQYMHSA-N -1 3 367.205 3.224 20 0 FGADHM O=c1[nH]c(CC(F)(F)F)c([O-])n1-c1cccc(N2CCCCCC2)c1 ZINC000277981018 496959581 /nfs/dbraw/zinc/95/95/81/496959581.db2.gz JDECNXQQHPVKCL-CQSZACIVSA-N -1 3 355.360 3.444 20 0 FGADHM O=C([N-]c1cnns1)C(=O)N1CCCCC[C@H]1/C=C/c1cccs1 ZINC000192098630 496994379 /nfs/dbraw/zinc/99/43/79/496994379.db2.gz ACJLFBNTPUMADV-GUOLPTJISA-N -1 3 362.480 3.023 20 0 FGADHM O=C([O-])[C@@H](c1c(F)cccc1Cl)N1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000580964311 505878836 /nfs/dbraw/zinc/87/88/36/505878836.db2.gz WSIMECMHDGSPKF-XGWLTEMNSA-N -1 3 355.837 3.478 20 0 FGADHM COc1cc(-c2noc(CC[C@@H](C)NC(=O)OC(C)(C)C)n2)ccc1[O-] ZINC000278154350 497022223 /nfs/dbraw/zinc/02/22/23/497022223.db2.gz CHRNTGVYXOGSNR-LLVKDONJSA-N -1 3 363.414 3.297 20 0 FGADHM COc1cc2c(cc1CN[C@@H](Cc1ccc(C)c(C)c1)C(=O)[O-])O[C@H](C)C2 ZINC000569215084 505880135 /nfs/dbraw/zinc/88/01/35/505880135.db2.gz BGQBPAKKANLWCA-BEFAXECRSA-N -1 3 369.461 3.421 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](c2ccccc2)[C@@H]2CCCO2)c1 ZINC000270010767 497040960 /nfs/dbraw/zinc/04/09/60/497040960.db2.gz ADJOMFFFRPPYFR-RBUKOAKNSA-N -1 3 354.406 3.001 20 0 FGADHM O=C(c1ccc2[nH]c3c(c2c1)CCCCC3)N1CCc2c(=O)[n-]cnc2C1 ZINC000580978266 505881750 /nfs/dbraw/zinc/88/17/50/505881750.db2.gz UTICBCDAGCYJRM-UHFFFAOYSA-N -1 3 362.433 3.131 20 0 FGADHM O=C(NCCCNC(=O)c1cc([O-])ccc1C(F)(F)F)c1cccs1 ZINC000189297389 497072242 /nfs/dbraw/zinc/07/22/42/497072242.db2.gz OSEUSCOGKMLJOG-UHFFFAOYSA-N -1 3 372.368 3.022 20 0 FGADHM CC(C)OC(=O)C[C@@H]1CCCN(C(=O)c2cc(=O)c3ccccc3[n-]2)C1 ZINC000274363625 497079590 /nfs/dbraw/zinc/07/95/90/497079590.db2.gz OCJCVPPCLROVJK-AWEZNQCLSA-N -1 3 356.422 3.134 20 0 FGADHM COc1cccc(C(=O)N2CCC[C@@H]2Cn2cnc3ccccc32)c1[O-] ZINC000270219261 497080268 /nfs/dbraw/zinc/08/02/68/497080268.db2.gz KGRZUHBYFHSEGB-CQSZACIVSA-N -1 3 351.406 3.055 20 0 FGADHM O=C(NC[C@H]1CCCN1Cc1ccccc1)c1cc(=O)c2ccccc2[n-]1 ZINC000265254473 497082594 /nfs/dbraw/zinc/08/25/94/497082594.db2.gz KEHGFNMXUJHQFB-QGZVFWFLSA-N -1 3 361.445 3.335 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NC2CCC3(CC3)CC2)c1 ZINC000580989669 505884811 /nfs/dbraw/zinc/88/48/11/505884811.db2.gz BKDGNWYLRMMKLQ-UHFFFAOYSA-N -1 3 369.421 3.394 20 0 FGADHM C[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000231751766 497110642 /nfs/dbraw/zinc/11/06/42/497110642.db2.gz ZGRMSCQTUMRURF-LURJTMIESA-N -1 3 364.158 3.207 20 0 FGADHM COc1ccc(Br)c(CN2CC[C@](C(=O)[O-])(C(C)C)C2)c1 ZINC000234915288 497113625 /nfs/dbraw/zinc/11/36/25/497113625.db2.gz LXGXZKUHXGKSDW-MRXNPFEDSA-N -1 3 356.260 3.390 20 0 FGADHM Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)CNC(=O)c2cccc([O-])c2)o1 ZINC000274543740 497122039 /nfs/dbraw/zinc/12/20/39/497122039.db2.gz VAHVBLLBCPVQJK-CXAGYDPISA-N -1 3 356.422 3.023 20 0 FGADHM CCCCOc1ccc(C(=O)N[C@@H]2CCC[C@@H]([S@](=O)CC)C2)c([O-])c1 ZINC000248906043 497131435 /nfs/dbraw/zinc/13/14/35/497131435.db2.gz OTXGRKMTNJYMDH-MJBQAUCRSA-N -1 3 367.511 3.381 20 0 FGADHM Cc1nn(CC(F)(F)F)c(C)c1Cc1nc(-c2ccc([O-])cc2)no1 ZINC000270573677 497152233 /nfs/dbraw/zinc/15/22/33/497152233.db2.gz CAYBZOPZUWWPNT-UHFFFAOYSA-N -1 3 352.316 3.409 20 0 FGADHM Cc1ccc([C@H]2C[C@H](C)N(C(=O)CCc3c(C)nc(C)[n-]c3=O)C2)cc1 ZINC000278602280 497163837 /nfs/dbraw/zinc/16/38/37/497163837.db2.gz CICSCGIVQKIXIO-KSSFIOAISA-N -1 3 353.466 3.445 20 0 FGADHM Cc1c([O-])ccc2c(CN3CCn4c(C(C)C)nnc4[C@@H]3C)cc(=O)oc12 ZINC000189585060 497172502 /nfs/dbraw/zinc/17/25/02/497172502.db2.gz SVZHUNQZGRSLRL-ZDUSSCGKSA-N -1 3 368.437 3.099 20 0 FGADHM COc1cc(C(=O)N2C[C@@H](C)O[C@@H](c3ccsc3)C2)cc(OC)c1[O-] ZINC000270732372 497190096 /nfs/dbraw/zinc/19/00/96/497190096.db2.gz GSXWWWCHEPHLJC-BDJLRTHQSA-N -1 3 363.435 3.073 20 0 FGADHM C[C@@H]1C[C@@H](C(=O)Nc2ccccc2O)[C@@H](C(=O)Nc2ccccc2[O-])C1 ZINC000249417940 497201751 /nfs/dbraw/zinc/20/17/51/497201751.db2.gz GYECIHDZCFRYBL-ZSOGYDGISA-N -1 3 354.406 3.337 20 0 FGADHM C[C@@H]1C[C@@H](C(=O)Nc2ccccc2[O-])[C@@H](C(=O)Nc2ccccc2O)C1 ZINC000249417940 497201753 /nfs/dbraw/zinc/20/17/53/497201753.db2.gz GYECIHDZCFRYBL-ZSOGYDGISA-N -1 3 354.406 3.337 20 0 FGADHM CC[C@@H]([N-]S(=O)(=O)c1c(C)csc1C(=O)OC)c1cccs1 ZINC000189673232 497206587 /nfs/dbraw/zinc/20/65/87/497206587.db2.gz YGPYNXQIFIYMRO-SNVBAGLBSA-N -1 3 359.494 3.334 20 0 FGADHM Cc1nc(C)c(CCC(=O)N[C@H](C)c2nc(C(F)(F)F)cs2)c(=O)[n-]1 ZINC000278762446 497212808 /nfs/dbraw/zinc/21/28/08/497212808.db2.gz OBUWMMAKZFLMCQ-MRVPVSSYSA-N -1 3 374.388 3.084 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CC3(C2)CCCCC3)c1 ZINC000274998164 497214520 /nfs/dbraw/zinc/21/45/20/497214520.db2.gz ZYOVLJBHTBNVDW-UHFFFAOYSA-N -1 3 369.421 3.347 20 0 FGADHM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccsc3Cl)cc2C[C@H]1C ZINC000189743225 497229801 /nfs/dbraw/zinc/22/98/01/497229801.db2.gz PWCZXFIXQSHCSE-SECBINFHSA-N -1 3 370.883 3.500 20 0 FGADHM O=S(=O)([N-][C@H]1CCCSC1)c1ccc(Cl)cc1Br ZINC000581033313 505894489 /nfs/dbraw/zinc/89/44/89/505894489.db2.gz CAIDPNSONVIVIH-VIFPVBQESA-N -1 3 370.721 3.276 20 0 FGADHM NC(=O)CCC1CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])CC1 ZINC000271069119 497258607 /nfs/dbraw/zinc/25/86/07/497258607.db2.gz LHEPRKISHKZMSN-UHFFFAOYSA-N -1 3 368.433 3.302 20 0 FGADHM Cc1cccc([C@H](CNC(=O)c2cc([O-])ccc2Cl)N2CCOCC2)c1 ZINC000278945804 497276711 /nfs/dbraw/zinc/27/67/11/497276711.db2.gz VDJZRZMBQCRGQD-IBGZPJMESA-N -1 3 374.868 3.157 20 0 FGADHM C[C@@H](C(=O)[N-]C1=NCCS1)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000266213993 497281747 /nfs/dbraw/zinc/28/17/47/497281747.db2.gz GSTWUMWIGZXAGS-TZMCWYRMSA-N -1 3 363.483 3.108 20 0 FGADHM COC(=O)c1ccc(CS(=O)(=O)[N-]c2ccc(C)c3ncccc23)cc1 ZINC000193128712 497309284 /nfs/dbraw/zinc/30/92/84/497309284.db2.gz PBKBHYHGQVZCGS-UHFFFAOYSA-N -1 3 370.430 3.272 20 0 FGADHM COc1cccc([C@H]2C[C@H]([N-]S(=O)(=O)c3cc(F)cc(F)c3)C2)c1 ZINC000581053452 505899555 /nfs/dbraw/zinc/89/95/55/505899555.db2.gz NFKZXZCPASZUIO-NNUKFRKNSA-N -1 3 353.390 3.198 20 0 FGADHM O=C(Nc1cccc(CC(F)(F)F)c1)[C@@H]1CC[C@H](C(F)(F)F)[N-]C1=O ZINC000266422284 497335928 /nfs/dbraw/zinc/33/59/28/497335928.db2.gz PBPZCLZKJAUCLB-WDEREUQCSA-N -1 3 368.277 3.187 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N[C@@H]3[C@@H]4CCO[C@H]4C34CCCC4)c[n-]c12 ZINC000253555428 497341748 /nfs/dbraw/zinc/34/17/48/497341748.db2.gz MFIVAZMLKYUCAD-MJXNMMHHSA-N -1 3 370.424 3.465 20 0 FGADHM CO[C@H](C)CS(=O)(=O)[N-]c1ccc(C)c(Oc2cc(C)ccn2)c1 ZINC000193331348 497352030 /nfs/dbraw/zinc/35/20/30/497352030.db2.gz DOHXYKHXHGXVGI-CQSZACIVSA-N -1 3 350.440 3.267 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N2C[C@@H](c3ccc(F)cc3)O[C@@H](C)C2)c1 ZINC000266501487 497358719 /nfs/dbraw/zinc/35/87/19/497358719.db2.gz KVALRACVLSRGFU-BUXKBTBVSA-N -1 3 372.396 3.092 20 0 FGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]C[C@H](C)c1ccc(C)cc1 ZINC000190107119 497359711 /nfs/dbraw/zinc/35/97/11/497359711.db2.gz KDPDYZNPVSZJHL-LBPRGKRZSA-N -1 3 367.492 3.234 20 0 FGADHM Cc1cc(F)c(S(=O)(=O)[N-][C@H]2CCCc3cc(N)ccc32)cc1F ZINC000193390929 497367082 /nfs/dbraw/zinc/36/70/82/497367082.db2.gz JNRPFFFCKJPUOT-INIZCTEOSA-N -1 3 352.406 3.211 20 0 FGADHM O=c1[n-]cnc2c1CN(c1nc(-c3cc(Cl)cc(Cl)c3)no1)CC2 ZINC000572156068 505902980 /nfs/dbraw/zinc/90/29/80/505902980.db2.gz XIRINFQTKGPSCB-UHFFFAOYSA-N -1 3 364.192 3.102 20 0 FGADHM CCO[C@@H](C[N-]S(=O)(=O)Cc1noc2ccccc12)c1ccccc1 ZINC000193541392 497407924 /nfs/dbraw/zinc/40/79/24/497407924.db2.gz VHUCXNHPLRYVNW-SFHVURJKSA-N -1 3 360.435 3.025 20 0 FGADHM COC(=O)c1cnc(SCc2coc(-c3ccc(F)c(F)c3)n2)[n-]1 ZINC000193543903 497409066 /nfs/dbraw/zinc/40/90/66/497409066.db2.gz DWJOWAKKCSPHLU-UHFFFAOYSA-N -1 3 351.334 3.422 20 0 FGADHM COC(=O)c1cnc(SCc2nc3cc(Br)ccc3[nH]2)[n-]1 ZINC000193559478 497413784 /nfs/dbraw/zinc/41/37/84/497413784.db2.gz DFQORWPLTCRKAG-UHFFFAOYSA-N -1 3 367.228 3.127 20 0 FGADHM COC(=O)c1c[n-]c(SCc2nc3cc(Br)ccc3[nH]2)n1 ZINC000193559478 497413788 /nfs/dbraw/zinc/41/37/88/497413788.db2.gz DFQORWPLTCRKAG-UHFFFAOYSA-N -1 3 367.228 3.127 20 0 FGADHM Cc1oc(CN2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)cc1C(=O)[O-] ZINC000581078271 505905436 /nfs/dbraw/zinc/90/54/36/505905436.db2.gz SUTLXKBTLLLSNH-UHFFFAOYSA-N -1 3 366.421 3.451 20 0 FGADHM CC1(C)CN(C(=O)c2cc(OCc3ccccc3)ccc2[O-])CC[C@H]1O ZINC000275833944 497442990 /nfs/dbraw/zinc/44/29/90/497442990.db2.gz KZPANRVKRGDNAG-LJQANCHMSA-N -1 3 355.434 3.204 20 0 FGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1cccc(NC(=O)C(C)C)c1 ZINC000266969719 497458507 /nfs/dbraw/zinc/45/85/07/497458507.db2.gz LHTCEGMJLXHQOV-UHFFFAOYSA-N -1 3 360.439 3.059 20 0 FGADHM CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000261854537 497462813 /nfs/dbraw/zinc/46/28/13/497462813.db2.gz JTFLAMUBGWXYOH-LQBHMHGISA-N -1 3 359.253 3.170 20 0 FGADHM COc1cc(Br)c(CNC2CCC(C(=O)[O-])CC2)cc1OC ZINC000262059234 497501203 /nfs/dbraw/zinc/50/12/03/497501203.db2.gz DUKFAGUHXPKYBY-UHFFFAOYSA-N -1 3 372.259 3.199 20 0 FGADHM CCC[C@@H](NC(=O)[C@@H](C)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1)c1ccccc1 ZINC000262160880 497518411 /nfs/dbraw/zinc/51/84/11/497518411.db2.gz OCNSCMYVKZDIQI-LNNXQNCSSA-N -1 3 358.482 3.219 20 0 FGADHM C[C@H]1C[C@@H](C(=O)NCc2ccc([O-])c(F)c2)CCN1C(=O)OC(C)(C)C ZINC000279739779 497526999 /nfs/dbraw/zinc/52/69/99/497526999.db2.gz DMAIIBJJCYZBQZ-JSGCOSHPSA-N -1 3 366.433 3.183 20 0 FGADHM COc1ccc(Cl)cc1NC(=O)CN1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21 ZINC000262288833 497535654 /nfs/dbraw/zinc/53/56/54/497535654.db2.gz VTOIGVBKGIAKKT-UGFHNGPFSA-N -1 3 366.845 3.005 20 0 FGADHM COCc1nc(S[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)n[n-]1 ZINC000272139540 497546151 /nfs/dbraw/zinc/54/61/51/497546151.db2.gz ZHKAUJXXQBGAKF-LLVKDONJSA-N -1 3 373.265 3.156 20 0 FGADHM CO[C@@H]1CCC[C@H](CC(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)C1 ZINC000279861841 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497870514 /nfs/dbraw/zinc/87/05/14/497870514.db2.gz CJGXEJANYCIYHK-UHFFFAOYSA-N -1 3 372.421 3.410 20 0 FGADHM COc1cc(C(=O)NCc2cccc(-c3cccnc3)c2)cc(OC)c1[O-] ZINC000364268799 497871903 /nfs/dbraw/zinc/87/19/03/497871903.db2.gz ZXHMTKWYGDVQJD-UHFFFAOYSA-N -1 3 364.401 3.401 20 0 FGADHM O=S(=O)(CC12CCC(CC1)C2)[N-]Cc1coc(-c2cccs2)n1 ZINC000329698499 497872704 /nfs/dbraw/zinc/87/27/04/497872704.db2.gz CRAUCEHZVNHOKM-UHFFFAOYSA-N -1 3 352.481 3.403 20 0 FGADHM COCCCCS(=O)(=O)[N-]c1ccccc1NC(=O)c1cccs1 ZINC000581242403 505941755 /nfs/dbraw/zinc/94/17/55/505941755.db2.gz HWSIPYFDWNNYJZ-UHFFFAOYSA-N -1 3 368.480 3.169 20 0 FGADHM O=S(=O)([N-][C@@H]1CCC[C@H]2OCC[C@@H]21)c1ccc(C(F)(F)F)s1 ZINC000329752188 497889409 /nfs/dbraw/zinc/88/94/09/497889409.db2.gz WCCAJLBPGGRDQX-OPRDCNLKSA-N -1 3 355.403 3.003 20 0 FGADHM O=S(=O)([N-][C@H]1c2ccccc2CC12CCOCC2)c1ccccc1F ZINC000329801451 497906707 /nfs/dbraw/zinc/90/67/07/497906707.db2.gz YTDWDXXUFGKPIO-SFHVURJKSA-N -1 3 361.438 3.198 20 0 FGADHM 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/nfs/dbraw/zinc/00/00/01/498000001.db2.gz PKWOCWLNVJIYOT-LLVKDONJSA-N -1 3 351.399 3.005 20 0 FGADHM CC(C)Oc1ccc([N-]S(=O)(=O)Cc2nc(-c3ccco3)no2)cc1 ZINC000349684253 498000191 /nfs/dbraw/zinc/00/01/91/498000191.db2.gz LIEDYPXZRCMFHB-UHFFFAOYSA-N -1 3 363.395 3.059 20 0 FGADHM CCN(C[C@@H](C)OC)C(=O)/C=C/c1cc(Br)c([O-])c(OC)c1 ZINC000292406059 498002780 /nfs/dbraw/zinc/00/27/80/498002780.db2.gz ZELOXYBQHJPYAO-XUIVZRPNSA-N -1 3 372.259 3.060 20 0 FGADHM CCCc1occc1C(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000281092427 498017602 /nfs/dbraw/zinc/01/76/02/498017602.db2.gz AQSWYRVYXRWDJA-UHFFFAOYSA-N -1 3 356.422 3.429 20 0 FGADHM Cc1nc(C)c(Cc2nc(-c3ccc(Br)cc3)no2)c(=O)[n-]1 ZINC000349880692 498018261 /nfs/dbraw/zinc/01/82/61/498018261.db2.gz CHSJCNIDZHBCDH-UHFFFAOYSA-N -1 3 361.199 3.202 20 0 FGADHM COc1ccc(CN(C(=O)c2csc(=O)[n-]2)[C@@H](C)C2CC2)c(OC)c1 ZINC000572421542 505965635 /nfs/dbraw/zinc/96/56/35/505965635.db2.gz BYMSEUIPEDTMAP-NSHDSACASA-N -1 3 362.451 3.307 20 0 FGADHM CC(C)(C)c1nnc(C[N-]S(=O)(=O)c2ccc(C3CC3)cc2)s1 ZINC000296392379 498024482 /nfs/dbraw/zinc/02/44/82/498024482.db2.gz SQDCEKRTZKZTBE-UHFFFAOYSA-N -1 3 351.497 3.192 20 0 FGADHM Cc1ccc(-c2csc(CS(=O)(=O)c3nnc(C4CC4)[n-]3)n2)cc1 ZINC000285243313 498031893 /nfs/dbraw/zinc/03/18/93/498031893.db2.gz ZCXYIACQZACKNZ-UHFFFAOYSA-N -1 3 360.464 3.088 20 0 FGADHM Cc1ccc(-c2csc(CS(=O)(=O)c3nc(C4CC4)n[n-]3)n2)cc1 ZINC000285243313 498031888 /nfs/dbraw/zinc/03/18/88/498031888.db2.gz ZCXYIACQZACKNZ-UHFFFAOYSA-N -1 3 360.464 3.088 20 0 FGADHM CCC[C@@H](OC)c1noc(-c2ccc([N-]S(=O)(=O)CCC)cc2)n1 ZINC000296470017 498055833 /nfs/dbraw/zinc/05/58/33/498055833.db2.gz OJASYGCXXLFOMG-CQSZACIVSA-N -1 3 353.444 3.376 20 0 FGADHM CC[C@@H](C)[C@@H]([N-]S(=O)(=O)c1cc(NC(C)=O)ccc1C)C(F)(F)F ZINC000572447812 505971314 /nfs/dbraw/zinc/97/13/14/505971314.db2.gz SEKCOQRFKNTTJS-YMTOWFKASA-N -1 3 366.405 3.209 20 0 FGADHM O=C(Cc1noc(CCCc2ccc([O-])c(F)c2)n1)Nc1ccc(F)cc1 ZINC000578578021 505971642 /nfs/dbraw/zinc/97/16/42/505971642.db2.gz WZUFPKOPFHCXAW-UHFFFAOYSA-N -1 3 373.359 3.410 20 0 FGADHM CCC[C@H](C)S(=O)(=O)[N-][C@@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC000575411400 505973734 /nfs/dbraw/zinc/97/37/34/505973734.db2.gz LTWDKWVAAKJEKV-LPHOPBHVSA-N -1 3 374.506 3.344 20 0 FGADHM O=C(c1csc(=O)[n-]1)N1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC000572458067 505974179 /nfs/dbraw/zinc/97/41/79/505974179.db2.gz NQWUPQGELDIZDS-UHFFFAOYSA-N -1 3 363.386 3.344 20 0 FGADHM Cc1c(NC([O-])=NOC(C)(C)CO)cccc1C(=O)Nc1ccccc1 ZINC000296519418 498077446 /nfs/dbraw/zinc/07/74/46/498077446.db2.gz RALYOSCCOXVNIE-UHFFFAOYSA-N -1 3 357.410 3.071 20 0 FGADHM Cc1c(NC(=O)[N-]OC(C)(C)CO)cccc1C(=O)Nc1ccccc1 ZINC000296519418 498077455 /nfs/dbraw/zinc/07/74/55/498077455.db2.gz RALYOSCCOXVNIE-UHFFFAOYSA-N -1 3 357.410 3.071 20 0 FGADHM CCOc1nc2cc(C(=O)N3CC4(CCC4)[C@H]3[C@H]3CCCO3)ccc2[n-]1 ZINC000330333970 498107346 /nfs/dbraw/zinc/10/73/46/498107346.db2.gz YMWGHCYSPVPUMT-IAGOWNOFSA-N -1 3 355.438 3.135 20 0 FGADHM CCOc1nc2ccc(C(=O)N3CC4(CCC4)[C@H]3[C@H]3CCCO3)cc2[n-]1 ZINC000330333970 498107352 /nfs/dbraw/zinc/10/73/52/498107352.db2.gz YMWGHCYSPVPUMT-IAGOWNOFSA-N -1 3 355.438 3.135 20 0 FGADHM Cc1c([O-])ccc2c(CN3CCCC[C@H]3c3ccnn3C)cc(=O)oc12 ZINC000281332238 498108550 /nfs/dbraw/zinc/10/85/50/498108550.db2.gz JMKHXXHJQDVGNU-KRWDZBQOSA-N -1 3 353.422 3.268 20 0 FGADHM CCN1CCC[C@@H]1C[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000301456949 498118896 /nfs/dbraw/zinc/11/88/96/498118896.db2.gz LSHFAJBPEVYMGN-LLVKDONJSA-N -1 3 370.824 3.121 20 0 FGADHM CCC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C[C@H]2CCO[C@H](C)C2)c1 ZINC000281397761 498135145 /nfs/dbraw/zinc/13/51/45/498135145.db2.gz GWHKGLLAWKCTQY-NEPJUHHUSA-N -1 3 359.875 3.026 20 0 FGADHM CCOc1cc(-c2noc(CN(C)[C@H]3CCSC3)n2)cc(Cl)c1[O-] ZINC000350796184 498137327 /nfs/dbraw/zinc/13/73/27/498137327.db2.gz UNPDESLTWAJTAL-NSHDSACASA-N -1 3 369.874 3.432 20 0 FGADHM CC[C@@H](C)C(=O)N1CSC[C@@H]1C(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000330486616 498140751 /nfs/dbraw/zinc/14/07/51/498140751.db2.gz DCDFIHWUWRQUDR-NOZJJQNGSA-N -1 3 356.875 3.240 20 0 FGADHM Cc1nn(C)c(C)c1[C@H](C)C(=O)Nc1cc(Br)ccc1[O-] ZINC000330487767 498142205 /nfs/dbraw/zinc/14/22/05/498142205.db2.gz HBOFHQDJOSPHLM-QMMMGPOBSA-N -1 3 352.232 3.247 20 0 FGADHM CCOc1nc2cc(C(=O)N[C@@H]3CCO[C@H](c4ccncc4)C3)ccc2[n-]1 ZINC000575632816 505985822 /nfs/dbraw/zinc/98/58/22/505985822.db2.gz WBFXAUSLUKLGFB-QAPCUYQASA-N -1 3 366.421 3.007 20 0 FGADHM CCOc1nc2ccc(C(=O)N[C@@H]3CCO[C@H](c4ccncc4)C3)cc2[n-]1 ZINC000575632816 505985827 /nfs/dbraw/zinc/98/58/27/505985827.db2.gz WBFXAUSLUKLGFB-QAPCUYQASA-N -1 3 366.421 3.007 20 0 FGADHM CCc1cc(=O)[n-]c(CN[C@H](CCO)c2ccc(Cl)c(Cl)c2)n1 ZINC000285605608 498143627 /nfs/dbraw/zinc/14/36/27/498143627.db2.gz PURJVRIWJFYQCY-CQSZACIVSA-N -1 3 356.253 3.265 20 0 FGADHM C[C@H]1CCCN(Cc2csc([N-]C(=O)c3snnc3C3CC3)n2)C1 ZINC000289460141 498154845 /nfs/dbraw/zinc/15/48/45/498154845.db2.gz VVGIFFZYXOFIFX-JTQLQIEISA-N -1 3 363.512 3.356 20 0 FGADHM Cc1cnccc1S[C@H](C)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000292864875 498175351 /nfs/dbraw/zinc/17/53/51/498175351.db2.gz UGIKHECVRNGYJD-GFCCVEGCSA-N -1 3 350.465 3.125 20 0 FGADHM [O-]c1cc(F)cc(CN2CCOC[C@H]2c2noc(-c3ccccc3)n2)c1 ZINC000364857681 498177158 /nfs/dbraw/zinc/17/71/58/498177158.db2.gz KMBTUASWPGGSBL-KRWDZBQOSA-N -1 3 355.369 3.155 20 0 FGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]Cc1ccc2c(n1)CCCC2 ZINC000572550219 505995191 /nfs/dbraw/zinc/99/51/91/505995191.db2.gz FVULKPFKAZTXND-UHFFFAOYSA-N -1 3 366.870 3.101 20 0 FGADHM O=C1C[C@H]([N-]c2nnc(C(F)F)o2)CN1c1cccc(C(F)(F)F)c1 ZINC000292944981 498205483 /nfs/dbraw/zinc/20/54/83/498205483.db2.gz FMQXMRTZGWGRNH-QMMMGPOBSA-N -1 3 362.258 3.243 20 0 FGADHM O=c1nc(CN2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)[n-]c2ccsc21 ZINC000285825481 498212195 /nfs/dbraw/zinc/21/21/95/498212195.db2.gz GZAHQIBTZUSKIS-HLLBOEOZSA-N -1 3 367.474 3.401 20 0 FGADHM CN1CC[C@H](CN=c2[n-]nc(-c3ccccn3)s2)[C@H]1c1cccs1 ZINC000364928045 498213559 /nfs/dbraw/zinc/21/35/59/498213559.db2.gz CDRHVJLQIDBRFI-DOMZBBRYSA-N -1 3 357.508 3.188 20 0 FGADHM CCOc1ccc(-n2c([O-])c(CC(F)(F)F)[nH]c2=O)c(C(F)(F)F)c1 ZINC000285838889 498214692 /nfs/dbraw/zinc/21/46/92/498214692.db2.gz CWEVLDJDKAYPNU-SECBINFHSA-N -1 3 370.249 3.481 20 0 FGADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1cccc(OCc2cccnc2)c1 ZINC000296832942 498215587 /nfs/dbraw/zinc/21/55/87/498215587.db2.gz ZWCRPQTYYLDUAX-UHFFFAOYSA-N -1 3 373.409 3.055 20 0 FGADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1cccc(OCc2cccnc2)c1 ZINC000296832942 498215593 /nfs/dbraw/zinc/21/55/93/498215593.db2.gz ZWCRPQTYYLDUAX-UHFFFAOYSA-N -1 3 373.409 3.055 20 0 FGADHM COC(=O)c1cnc([N-]C(=O)c2cnc([C@@H]3CCCO3)s2)c(Cl)c1 ZINC000569705561 505998447 /nfs/dbraw/zinc/99/84/47/505998447.db2.gz ACAZZMBIIDILMW-JTQLQIEISA-N -1 3 367.814 3.082 20 0 FGADHM Cc1ccc([C@H](CNC(=O)c2cc([O-])ccc2Cl)N2CCOCC2)cc1 ZINC000289619583 498219174 /nfs/dbraw/zinc/21/91/74/498219174.db2.gz OSRZKOXPYANZMQ-IBGZPJMESA-N -1 3 374.868 3.157 20 0 FGADHM COc1ccc([O-])c(C(=O)N2CCC(Oc3ccc(Cl)nc3)CC2)c1 ZINC000364973651 498235316 /nfs/dbraw/zinc/23/53/16/498235316.db2.gz QAYCFOSGFJCHBA-UHFFFAOYSA-N -1 3 362.813 3.133 20 0 FGADHM CC(C)c1cc(C(=O)N2CCC[C@@H](N3CCNC3=O)C2)c([O-])c(C(C)C)c1 ZINC000360018749 498235527 /nfs/dbraw/zinc/23/55/27/498235527.db2.gz HQGGCLRNRLCRQR-MRXNPFEDSA-N -1 3 373.497 3.269 20 0 FGADHM Cc1cc(C)c(CC(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)c(C)c1 ZINC000281739447 498253313 /nfs/dbraw/zinc/25/33/13/498253313.db2.gz ONPYTQOANBLGLS-UHFFFAOYSA-N -1 3 370.415 3.071 20 0 FGADHM O=C([N-]C[C@H]1CCCN(C(=O)Nc2cccc3[nH]ccc32)C1)C(F)(F)F ZINC000289703903 498254876 /nfs/dbraw/zinc/25/48/76/498254876.db2.gz DWNUFGNXHLELCA-LLVKDONJSA-N -1 3 368.359 3.090 20 0 FGADHM O=C([N-]CC1CCN(C(=O)[C@H]2CCCc3ccccc32)CC1)C(F)(F)F ZINC000281779584 498266778 /nfs/dbraw/zinc/26/67/78/498266778.db2.gz RNPDTURXTOQZMC-INIZCTEOSA-N -1 3 368.399 3.024 20 0 FGADHM Cc1ncc(CN2CCN(C(=O)c3ccc(C(C)C)cc3[O-])CC2)s1 ZINC000331223729 498278840 /nfs/dbraw/zinc/27/88/40/498278840.db2.gz AMGQNTZXGCMSRG-UHFFFAOYSA-N -1 3 359.495 3.239 20 0 FGADHM O=C(C=Cc1cncc([O-])c1)N1CCC(C(=O)c2cc(F)ccc2F)CC1 ZINC000360662178 498294019 /nfs/dbraw/zinc/29/40/19/498294019.db2.gz NNMBIHIQBJISNY-DAFODLJHSA-N -1 3 372.371 3.200 20 0 FGADHM CS[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cnccc2C(F)(F)F)C1 ZINC000331291141 498294258 /nfs/dbraw/zinc/29/42/58/498294258.db2.gz WJXWTJVKRBPAAP-UWVGGRQHSA-N -1 3 354.419 3.053 20 0 FGADHM O=C(N[C@H]1CCc2c1cccc2Br)c1cc(=O)[n-]c(C2CC2)n1 ZINC000572615302 506013204 /nfs/dbraw/zinc/01/32/04/506013204.db2.gz WUATXFARFMVTBS-ZDUSSCGKSA-N -1 3 374.238 3.239 20 0 FGADHM Cc1ccc(C)c([C@@H]2CN(C(=O)c3cc(=O)[n-]c(C4CC4)n3)[C@@H](C)CO2)c1 ZINC000581557167 506015251 /nfs/dbraw/zinc/01/52/51/506015251.db2.gz CYXGGGWUAQAVKE-KSSFIOAISA-N -1 3 367.449 3.279 20 0 FGADHM CC(C)C[C@H](C)S(=O)(=O)[N-][C@@H](c1nc(-c2ccncc2)no1)C(C)C ZINC000361068292 498339801 /nfs/dbraw/zinc/33/98/01/498339801.db2.gz HLCJPCDCGJQEIM-DZGCQCFKSA-N -1 3 366.487 3.183 20 0 FGADHM C[C@@H]1CCCC[C@H]1OCC(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000331473733 498341694 /nfs/dbraw/zinc/34/16/94/498341694.db2.gz IKYDXGXDBFTNOC-DNVCBOLYSA-N -1 3 374.481 3.165 20 0 FGADHM O=S(=O)([N-][C@H](c1ccncc1)c1cc(F)ccc1F)c1cccs1 ZINC000365188537 498341876 /nfs/dbraw/zinc/34/18/76/498341876.db2.gz SIVVEYYSWAOKHU-MRXNPFEDSA-N -1 3 366.414 3.489 20 0 FGADHM CCc1cccc(C(=O)N(C)CC(=O)N(C)[C@@H](C)c2ccccc2)c1[O-] ZINC000578788548 506020432 /nfs/dbraw/zinc/02/04/32/506020432.db2.gz PTEHMCMVGMQXKC-HNNXBMFYSA-N -1 3 354.450 3.246 20 0 FGADHM CC(C)(CO)ON=C([O-])Nc1cc(C(F)(F)F)ccc1Br ZINC000297197274 498354587 /nfs/dbraw/zinc/35/45/87/498354587.db2.gz SPZPOEVLMWUYGQ-UHFFFAOYSA-N -1 3 371.153 3.292 20 0 FGADHM CC(C)(CO)O[N-]C(=O)Nc1cc(C(F)(F)F)ccc1Br ZINC000297197274 498354594 /nfs/dbraw/zinc/35/45/94/498354594.db2.gz SPZPOEVLMWUYGQ-UHFFFAOYSA-N -1 3 371.153 3.292 20 0 FGADHM C[C@@H]1CN(C(=O)c2cc(=O)c3ccccc3[n-]2)C[C@H](c2ccc(F)cc2)O1 ZINC000361488855 498398988 /nfs/dbraw/zinc/39/89/88/498398988.db2.gz ABIZEAWMLMBZQE-ZUOKHONESA-N -1 3 366.392 3.269 20 0 FGADHM CO[C@H](C)CS(=O)(=O)[N-]c1c(C)cc(Br)cc1Cl ZINC000282178371 498413174 /nfs/dbraw/zinc/41/31/74/498413174.db2.gz IZIRLVKMNRCHCX-MRVPVSSYSA-N -1 3 356.669 3.188 20 0 FGADHM Cc1ccc([C@H]2CCCCN2C(=O)N=c2cc(OC(F)F)n(C)[n-]2)o1 ZINC000331679669 498418625 /nfs/dbraw/zinc/41/86/25/498418625.db2.gz VWIHFMAHLGEMIH-LLVKDONJSA-N -1 3 354.357 3.104 20 0 FGADHM CCCCC[C@H](C)NC(=O)NC1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000365355585 498421960 /nfs/dbraw/zinc/42/19/60/498421960.db2.gz BWJDMZAJUKYPOE-HNNXBMFYSA-N -1 3 361.486 3.265 20 0 FGADHM CC(C)(C)c1nc([N-][C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)no1 ZINC000302166596 498424734 /nfs/dbraw/zinc/42/47/34/498424734.db2.gz RQSNDUHVTIMEEG-LBPRGKRZSA-N -1 3 352.797 3.377 20 0 FGADHM Cc1nc(CN2CCN(Cc3cc([O-])cc(C(F)(F)F)c3)CC2)oc1C ZINC000581639243 506033154 /nfs/dbraw/zinc/03/31/54/506033154.db2.gz FFMVIIPKGLJZGS-UHFFFAOYSA-N -1 3 369.387 3.334 20 0 FGADHM COC(=O)c1c(F)ccc([N-]S(=O)(=O)c2cccc(SC)c2)c1F ZINC000581639759 506034103 /nfs/dbraw/zinc/03/41/03/506034103.db2.gz DSSNAKFBDWTVTP-UHFFFAOYSA-N -1 3 373.402 3.274 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(NCCc3nn(C)c4ccccc34)nc2)n1 ZINC000302348250 498470596 /nfs/dbraw/zinc/47/05/96/498470596.db2.gz CXUAIUXMJBAABO-UHFFFAOYSA-N -1 3 374.448 3.348 20 0 FGADHM COc1ccc(Cn2ccc([N-]c3nc(C(C)C)nc(N(C)C)n3)n2)cc1 ZINC000302403519 498476541 /nfs/dbraw/zinc/47/65/41/498476541.db2.gz KIWXYYHMOULURH-UHFFFAOYSA-N -1 3 367.457 3.058 20 0 FGADHM CCOc1cc(C(=O)N2CCC(n3cncc3C)CC2)cc(Cl)c1[O-] ZINC000365470816 498484120 /nfs/dbraw/zinc/48/41/20/498484120.db2.gz XRNCVQROPYACTL-UHFFFAOYSA-N -1 3 363.845 3.427 20 0 FGADHM O=S(=O)([N-]C[C@@H]1CCCC(F)(F)C1)c1cnc(-c2ccccc2)nc1 ZINC000578884657 506044478 /nfs/dbraw/zinc/04/44/78/506044478.db2.gz WRNIAEBNQGNOFV-CYBMUJFWSA-N -1 3 367.421 3.247 20 0 FGADHM Cc1ccc(C[C@@H](C)C(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)cc1 ZINC000290307676 498503104 /nfs/dbraw/zinc/50/31/04/498503104.db2.gz GWIFANFYTLVXKP-ZBFHGGJFSA-N -1 3 370.415 3.091 20 0 FGADHM CCOc1cc(CN(CC)Cc2cnn(C)c2)cc(Br)c1[O-] ZINC000297605700 498509049 /nfs/dbraw/zinc/50/90/49/498509049.db2.gz FZRHMJKEMXSLBQ-UHFFFAOYSA-N -1 3 368.275 3.309 20 0 FGADHM Cc1ccc([C@H]2CN(C(=O)c3cc(=O)c4ccccc4[n-]3)CCO2)c(C)c1 ZINC000365524771 498512704 /nfs/dbraw/zinc/51/27/04/498512704.db2.gz FBZZIDROTUVBCI-OAQYLSRUSA-N -1 3 362.429 3.359 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(N(C)Cc3ccc(OC)c(O)c3)nc2)n1 ZINC000302596580 498515623 /nfs/dbraw/zinc/51/56/23/498515623.db2.gz BHZCMRHOWNPHOX-UHFFFAOYSA-N -1 3 366.421 3.157 20 0 FGADHM CSc1ccc(C(=O)N2CCC[C@H](c3nnc4ccccn43)C2)c([O-])c1 ZINC000365542829 498524933 /nfs/dbraw/zinc/52/49/33/498524933.db2.gz BMBWSYRRPDVXGR-ZDUSSCGKSA-N -1 3 368.462 3.177 20 0 FGADHM CC[C@H]1CCN1C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000293895766 498526761 /nfs/dbraw/zinc/52/67/61/498526761.db2.gz FMJXWQVAOLJTTE-AWEZNQCLSA-N -1 3 362.426 3.251 20 0 FGADHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1ccccc1Oc1cccc(C)c1 ZINC000575979985 506048077 /nfs/dbraw/zinc/04/80/77/506048077.db2.gz PFPKDVDSJQZRSG-INIZCTEOSA-N -1 3 351.406 3.029 20 0 FGADHM CCOc1cc(CN[C@H]2CCCc3c[nH]nc32)cc(Br)c1[O-] ZINC000297671922 498531980 /nfs/dbraw/zinc/53/19/80/498531980.db2.gz OQHGHVGMQSIDGH-ZDUSSCGKSA-N -1 3 366.259 3.444 20 0 FGADHM Cc1ccc(-c2nc(-c3cc(=O)[n-]cn3)no2)cc1NC(=O)NC(C)(C)C ZINC000575987744 506050046 /nfs/dbraw/zinc/05/00/46/506050046.db2.gz GTXZVSXKLRBMLQ-UHFFFAOYSA-N -1 3 368.397 3.128 20 0 FGADHM CC(C)(C)c1nc(C(=O)[N-]c2nnc(C3CCOCC3)s2)cs1 ZINC000293959698 498544746 /nfs/dbraw/zinc/54/47/46/498544746.db2.gz ATFWPELUNDHJBA-UHFFFAOYSA-N -1 3 352.485 3.438 20 0 FGADHM C[C@@H](CC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1)c1ccc(F)cc1 ZINC000290428399 498549174 /nfs/dbraw/zinc/54/91/74/498549174.db2.gz SEENIQOYSSGNAI-STQMWFEESA-N -1 3 374.378 3.236 20 0 FGADHM O=C(C[C@@H]1CCCCCN1C(=O)c1cc(F)cc2[n-]nnc21)c1ccco1 ZINC000282535968 498549476 /nfs/dbraw/zinc/54/94/76/498549476.db2.gz QONOKLSTENAFSE-ZDUSSCGKSA-N -1 3 370.384 3.348 20 0 FGADHM O=C(C[C@@H]1CCCCCN1C(=O)c1cc(F)cc2nn[n-]c21)c1ccco1 ZINC000282535968 498549483 /nfs/dbraw/zinc/54/94/83/498549483.db2.gz QONOKLSTENAFSE-ZDUSSCGKSA-N -1 3 370.384 3.348 20 0 FGADHM O=C(C[C@@H]1CCCCCN1C(=O)c1cc(F)cc2n[n-]nc21)c1ccco1 ZINC000282535968 498549487 /nfs/dbraw/zinc/54/94/87/498549487.db2.gz QONOKLSTENAFSE-ZDUSSCGKSA-N -1 3 370.384 3.348 20 0 FGADHM O=C(c1cc(F)cc2[n-]nnc21)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000282543747 498552647 /nfs/dbraw/zinc/55/26/47/498552647.db2.gz RRJFBESZEBIZIG-GFCCVEGCSA-N -1 3 356.323 3.292 20 0 FGADHM O=C(c1cc(F)cc2nn[n-]c21)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000282543747 498552650 /nfs/dbraw/zinc/55/26/50/498552650.db2.gz RRJFBESZEBIZIG-GFCCVEGCSA-N -1 3 356.323 3.292 20 0 FGADHM O=C(c1cc(F)cc2n[n-]nc21)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000282543747 498552654 /nfs/dbraw/zinc/55/26/54/498552654.db2.gz RRJFBESZEBIZIG-GFCCVEGCSA-N -1 3 356.323 3.292 20 0 FGADHM COc1cccc([C@H](NC(=O)c2ccc(O)cc2[O-])c2cccnc2)c1 ZINC000362837303 498563203 /nfs/dbraw/zinc/56/32/03/498563203.db2.gz CZJCLMNYESNWMR-IBGZPJMESA-N -1 3 350.374 3.021 20 0 FGADHM O=C(Nc1n[n-]c(-c2ccc(Br)cc2F)n1)[C@H]1CCCS1 ZINC000332112085 498565189 /nfs/dbraw/zinc/56/51/89/498565189.db2.gz GHCFZWOTTZZRGZ-SNVBAGLBSA-N -1 3 371.235 3.207 20 0 FGADHM C[C@H](O[N-]C(=O)[C@@H]1CCC(=O)N(Cc2ccccc2)C1)c1ccccc1 ZINC000365632549 498569099 /nfs/dbraw/zinc/56/90/99/498569099.db2.gz DBIGTDWLHWQNGR-QFBILLFUSA-N -1 3 352.434 3.234 20 0 FGADHM COC(=O)c1cc(C(=O)N(Cc2ccco2)c2ccc(OC)c(F)c2)c[n-]1 ZINC000576016170 506056490 /nfs/dbraw/zinc/05/64/90/506056490.db2.gz KFWYAIDYKFZJLR-UHFFFAOYSA-N -1 3 372.352 3.389 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N[C@@H]3c4ccccc4O[C@H]3C)c[n-]c12 ZINC000365659919 498583991 /nfs/dbraw/zinc/58/39/91/498583991.db2.gz CNXRMIQDOJTTQN-VOJFVSQTSA-N -1 3 352.365 3.228 20 0 FGADHM CC[C@](C)(OC)c1noc([C@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000290555703 498595104 /nfs/dbraw/zinc/59/51/04/498595104.db2.gz TTWXXKZKRJSYRQ-BONVTDFDSA-N -1 3 373.862 3.034 20 0 FGADHM COCCc1nsc(Sc2n[n-]c(-c3ccc4c(c3)CCC4)n2)n1 ZINC000302837480 498595236 /nfs/dbraw/zinc/59/52/36/498595236.db2.gz XNOUAPXJHFJLQZ-UHFFFAOYSA-N -1 3 359.480 3.152 20 0 FGADHM COc1ccc2ncc(C(=O)[O-])c(N3CCC(c4ncc[nH]4)CC3)c2c1 ZINC000569977047 506060567 /nfs/dbraw/zinc/06/05/67/506060567.db2.gz FDTPRDVIGHUQJY-UHFFFAOYSA-N -1 3 352.394 3.049 20 0 FGADHM CCOc1cc(CN2CCC[C@@H](CNC(=O)C(C)C)C2)cc(Cl)c1[O-] ZINC000297904276 498603985 /nfs/dbraw/zinc/60/39/85/498603985.db2.gz RWHBGKKLWDUHRQ-AWEZNQCLSA-N -1 3 368.905 3.429 20 0 FGADHM O=C([N-]c1nnc(C2CCOCC2)s1)c1ccc(Cl)nc1Cl ZINC000297920527 498611232 /nfs/dbraw/zinc/61/12/32/498611232.db2.gz YFRRQUISWBJFAT-UHFFFAOYSA-N -1 3 359.238 3.386 20 0 FGADHM C[C@H](c1ccccc1Br)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000332294272 498637048 /nfs/dbraw/zinc/63/70/48/498637048.db2.gz JVVJJZRDOBTZFT-MNOVXSKESA-N -1 3 352.232 3.478 20 0 FGADHM CC[C@@H](CO)N(C)Cc1nc(=O)c2sc(-c3ccc(OC)cc3)cc2[n-]1 ZINC000298041700 498647121 /nfs/dbraw/zinc/64/71/21/498647121.db2.gz DGRXGICJQQUXRG-ZDUSSCGKSA-N -1 3 373.478 3.275 20 0 FGADHM C[C@@H](c1cccc(Br)c1)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000332320365 498648502 /nfs/dbraw/zinc/64/85/02/498648502.db2.gz NQVYRLLLDHQFRN-CMPLNLGQSA-N -1 3 352.232 3.478 20 0 FGADHM O=C(Nc1nnc(C2CCOCC2)s1)c1cc([O-])ccc1C(F)(F)F ZINC000294349489 498665779 /nfs/dbraw/zinc/66/57/79/498665779.db2.gz QPFKVDMTMURBLA-UHFFFAOYSA-N -1 3 373.356 3.409 20 0 FGADHM C[C@@H](SCc1cc(=O)[n-]c(C2CC2)n1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000570030406 506072759 /nfs/dbraw/zinc/07/27/59/506072759.db2.gz ZZSRXPGRSLBJIF-SNVBAGLBSA-N -1 3 373.434 3.049 20 0 FGADHM Cc1cc(C)c2[n-]cc(C(=O)N3CCC(c4ccncn4)CC3)c(=O)c2c1 ZINC000298205625 498694466 /nfs/dbraw/zinc/69/44/66/498694466.db2.gz GGGCRFHWEZBHCZ-UHFFFAOYSA-N -1 3 362.433 3.367 20 0 FGADHM CCc1nc(C)c(C(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)s1 ZINC000332478274 498699126 /nfs/dbraw/zinc/69/91/26/498699126.db2.gz PQYVTWGWKVOQFX-UHFFFAOYSA-N -1 3 373.478 3.210 20 0 FGADHM CC(C)(C)C(=O)NC[C@H]1CCCN(C(=O)c2cc3c(cc2[O-])CCCC3)C1 ZINC000332490924 498702892 /nfs/dbraw/zinc/70/28/92/498702892.db2.gz AQPSJWIQZFPTMA-OAHLLOKOSA-N -1 3 372.509 3.286 20 0 FGADHM CC(C)C(=O)N1CCC(NC(=O)CCc2ccc3ccccc3c2[O-])CC1 ZINC000294515191 498716162 /nfs/dbraw/zinc/71/61/62/498716162.db2.gz WCCDDRSIFOILSB-UHFFFAOYSA-N -1 3 368.477 3.241 20 0 FGADHM Cc1cnc(C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)c([O-])c1 ZINC000332550528 498723797 /nfs/dbraw/zinc/72/37/97/498723797.db2.gz PFMKQKBPFHNYQV-FUHWJXTLSA-N -1 3 353.466 3.221 20 0 FGADHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]C[C@H](C)c1ccc(C)cc1 ZINC000579042600 506080234 /nfs/dbraw/zinc/08/02/34/506080234.db2.gz PNCREXOIJGMULL-LBPRGKRZSA-N -1 3 365.451 3.073 20 0 FGADHM CC(C)NC(=O)[C@H]1CCC[C@@H](NC(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000332602129 498738033 /nfs/dbraw/zinc/73/80/33/498738033.db2.gz MUEKZBRZBLRLSZ-DOTOQJQBSA-N -1 3 354.450 3.359 20 0 FGADHM Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2C(=O)c1c[n-]c2ccccc2c1=O ZINC000282994125 498738321 /nfs/dbraw/zinc/73/83/21/498738321.db2.gz FSRPEGMKKHOHSR-CABCVRRESA-N -1 3 360.417 3.134 20 0 FGADHM CCOc1cc(CN(C)C(=O)c2ccc(O)cc2[O-])ccc1OC(F)F ZINC000298362866 498746079 /nfs/dbraw/zinc/74/60/79/498746079.db2.gz RCWDSYIXJWPVFP-UHFFFAOYSA-N -1 3 367.348 3.370 20 0 FGADHM COc1cc2c(cc1Cl)CN(C(=O)c1cc(NC(C)=O)ccc1[O-])CC2 ZINC000294627220 498754241 /nfs/dbraw/zinc/75/42/41/498754241.db2.gz RTENJOWLFRZQNV-UHFFFAOYSA-N -1 3 374.824 3.211 20 0 FGADHM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@H](CC(C)(C)C)C2(C)C)c(C)o1 ZINC000332697888 498767876 /nfs/dbraw/zinc/76/78/76/498767876.db2.gz LSYMLDFMUUJJHA-CYBMUJFWSA-N -1 3 370.515 3.173 20 0 FGADHM COC[C@H]([N-]S(=O)(=O)CCC1Cc2ccccc2C1)c1ccc(C)o1 ZINC000570130817 506096727 /nfs/dbraw/zinc/09/67/27/506096727.db2.gz SAXQJAGFGXILEM-SFHVURJKSA-N -1 3 363.479 3.000 20 0 FGADHM Cc1ccc(-c2cc(NC(=O)c3cccn(Cc4ccccc4)c3=O)n[n-]2)o1 ZINC000576189116 506097533 /nfs/dbraw/zinc/09/75/33/506097533.db2.gz BYQZDIQGNGMYEL-UHFFFAOYSA-N -1 3 374.400 3.440 20 0 FGADHM CC(C)CNC(=O)c1ccc([N-]S(=O)(=O)CCCCF)cc1Cl ZINC000294912998 498847470 /nfs/dbraw/zinc/84/74/70/498847470.db2.gz BPNZZYARPJYELB-UHFFFAOYSA-N -1 3 364.870 3.217 20 0 FGADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]Cc1ccc(C(C)C)cc1 ZINC000327591261 498860428 /nfs/dbraw/zinc/86/04/28/498860428.db2.gz GBHINDNHXPDQRE-UHFFFAOYSA-N -1 3 365.426 3.214 20 0 FGADHM Cc1nc(-c2cccc([N-]S(=O)(=O)c3c(C)cc(F)cc3C)c2)n[nH]1 ZINC000328016726 498864881 /nfs/dbraw/zinc/86/48/81/498864881.db2.gz ILMDPYHTMYDGEL-UHFFFAOYSA-N -1 3 360.414 3.337 20 0 FGADHM CC(C)n1nccc1[C@H]1OCC[C@@H]1NC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000333014742 498870990 /nfs/dbraw/zinc/87/09/90/498870990.db2.gz BUVRNKPLIDJYRG-PXNSSMCTSA-N -1 3 369.465 3.308 20 0 FGADHM Cc1ccc(-c2noc(/C=C\c3cncc([O-])c3)n2)c(N2CCOCC2)c1 ZINC000576219428 506105006 /nfs/dbraw/zinc/10/50/06/506105006.db2.gz QPZYOFOMAYEZSA-HYXAFXHYSA-N -1 3 364.405 3.153 20 0 FGADHM O=C(Nc1cnn(C[C@@H]2CCCO2)c1)c1cc([O-])ccc1C(F)(F)F ZINC000366336361 498879465 /nfs/dbraw/zinc/87/94/65/498879465.db2.gz IHHRUFOINZTSBQ-LBPRGKRZSA-N -1 3 355.316 3.039 20 0 FGADHM CC(C)(C(=O)NC1CCN(C(=O)c2cccc([O-])c2)CC1)c1cccs1 ZINC000366340133 498880257 /nfs/dbraw/zinc/88/02/57/498880257.db2.gz UBARXTPDXYNLLV-UHFFFAOYSA-N -1 3 372.490 3.152 20 0 FGADHM COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)c1ccc(C(=O)OC)[n-]1 ZINC000295046945 498891264 /nfs/dbraw/zinc/89/12/64/498891264.db2.gz YULUSTPCGMFNPL-SNVBAGLBSA-N -1 3 366.801 3.121 20 0 FGADHM CC1(C)Cc2ccc(C(=O)NCc3cc(F)cc4c3OCOC4)c([O-])c2O1 ZINC000333081555 498892739 /nfs/dbraw/zinc/89/27/39/498892739.db2.gz QQLDKRWIUKRNJV-UHFFFAOYSA-N -1 3 373.380 3.041 20 0 FGADHM Cc1csc([C@H]2COCCN2C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)n1 ZINC000333205404 498936214 /nfs/dbraw/zinc/93/62/14/498936214.db2.gz AKYAMANPCQVOIF-CQSZACIVSA-N -1 3 374.462 3.084 20 0 FGADHM Cc1csc([C@@H]([N-]S(=O)(=O)c2cccc(C)c2)C(F)(F)F)n1 ZINC000295207437 498943805 /nfs/dbraw/zinc/94/38/05/498943805.db2.gz OQFRXNPGXFACHM-LLVKDONJSA-N -1 3 350.387 3.342 20 0 FGADHM Cc1nn(C(C)C)c(C)c1CC(=O)Nc1n[n-]c(-c2ccccc2F)n1 ZINC000295248540 498954686 /nfs/dbraw/zinc/95/46/86/498954686.db2.gz MMJSGEOJSZIYLK-UHFFFAOYSA-N -1 3 356.405 3.186 20 0 FGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1ccc2c(c1)CCCCC2=O ZINC000291474383 498955413 /nfs/dbraw/zinc/95/54/13/498955413.db2.gz LZSVYDMTXXEDAZ-UHFFFAOYSA-N -1 3 372.446 3.220 20 0 FGADHM COCC1([N-]S(=O)(=O)c2ccc(-c3csc(C)n3)s2)CCC1 ZINC000328888854 498975305 /nfs/dbraw/zinc/97/53/05/498975305.db2.gz QJIOKEJXCZPEST-UHFFFAOYSA-N -1 3 358.510 3.027 20 0 FGADHM CCO[C@H](C)c1nc(-c2nnc(-c3cccc(Br)c3)[n-]2)no1 ZINC000283812266 498989721 /nfs/dbraw/zinc/98/97/21/498989721.db2.gz IZJWYYJRJFDVFU-MRVPVSSYSA-N -1 3 364.203 3.382 20 0 FGADHM CCO[C@H](C)c1nc(-c2nc(-c3cccc(Br)c3)n[n-]2)no1 ZINC000283812266 498989725 /nfs/dbraw/zinc/98/97/25/498989725.db2.gz IZJWYYJRJFDVFU-MRVPVSSYSA-N -1 3 364.203 3.382 20 0 FGADHM CCO[C@H](C)c1nc(-c2n[n-]c(-c3cccc(Br)c3)n2)no1 ZINC000283812266 498989729 /nfs/dbraw/zinc/98/97/29/498989729.db2.gz IZJWYYJRJFDVFU-MRVPVSSYSA-N -1 3 364.203 3.382 20 0 FGADHM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc4c(c3)CCCC4)ccc21 ZINC000333376156 498993957 /nfs/dbraw/zinc/99/39/57/498993957.db2.gz DXPXKFWEKSJJMU-UHFFFAOYSA-N -1 3 370.474 3.275 20 0 FGADHM O=c1[n-]c(CN2CCC([C@H]3CCCO3)CC2)nc2c3ccccc3oc21 ZINC000333378116 498995000 /nfs/dbraw/zinc/99/50/00/498995000.db2.gz AKJPBGLBRGMWQA-OAHLLOKOSA-N -1 3 353.422 3.473 20 0 FGADHM COCCCn1cc(C)c(NC(=O)c2cc([O-])ccc2C(F)(F)F)n1 ZINC000295384383 499000364 /nfs/dbraw/zinc/00/03/64/499000364.db2.gz FMTLGNYHQKMCIV-UHFFFAOYSA-N -1 3 357.332 3.205 20 0 FGADHM CC[C@H]1CCCN(C(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)C1 ZINC000299262165 499008403 /nfs/dbraw/zinc/00/84/03/499008403.db2.gz SENTYJWYBFZUJZ-HNNXBMFYSA-N -1 3 354.454 3.134 20 0 FGADHM COc1cccc(-n2cc(C(=O)N3CC[C@H](C)c4cccc([O-])c43)nn2)c1 ZINC000295407754 499008779 /nfs/dbraw/zinc/00/87/79/499008779.db2.gz SKFAURDEMKFCHZ-ZDUSSCGKSA-N -1 3 364.405 3.136 20 0 FGADHM COc1ccc2c(c1)[n-]cc(C(=O)N1CC[C@H](c3cccc(C)c3)C1)c2=O ZINC000576311264 506127121 /nfs/dbraw/zinc/12/71/21/506127121.db2.gz CXLPFQMGWMXVQC-INIZCTEOSA-N -1 3 362.429 3.475 20 0 FGADHM C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1c[n-]c2ccccc2c1=O ZINC000288488780 499039113 /nfs/dbraw/zinc/03/91/13/499039113.db2.gz YMENSBWYWPTXSN-WFASDCNBSA-N -1 3 371.437 3.068 20 0 FGADHM C[C@H]1CN(Cc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)CCC1=O ZINC000299443645 499060919 /nfs/dbraw/zinc/06/09/19/499060919.db2.gz VZTOCJBRIQBHQQ-LBPRGKRZSA-N -1 3 353.447 3.475 20 0 FGADHM C[C@H]1C[C@H](S(=O)(=O)[N-]C(c2cccs2)c2cccs2)CCO1 ZINC000295681663 499079545 /nfs/dbraw/zinc/07/95/45/499079545.db2.gz RXJNMZCECYMEOX-NWDGAFQWSA-N -1 3 357.522 3.386 20 0 FGADHM O=C1[N-]C(=O)N2CCN(Cc3cccc(OCC4CCCCC4)c3)C[C@@H]12 ZINC000329258117 499086018 /nfs/dbraw/zinc/08/60/18/499086018.db2.gz CFBSZYQVNGGITJ-SFHVURJKSA-N -1 3 357.454 3.222 20 0 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/nfs/dbraw/zinc/13/35/17/506133517.db2.gz HGSTWHZODIWASX-GDBMZVCRSA-N -1 3 361.239 3.459 20 0 FGADHM CCCCOc1ccc(C(=O)N2CCC(C)(c3nc(C)no3)CC2)c([O-])c1 ZINC000372772195 499172959 /nfs/dbraw/zinc/17/29/59/499172959.db2.gz ZCVCOEAUJOSLLH-UHFFFAOYSA-N -1 3 373.453 3.456 20 0 FGADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@@H]3CCC(=O)c4ccccc43)cc2)n1 ZINC000367352449 499186951 /nfs/dbraw/zinc/18/69/51/499186951.db2.gz CUFIIMAUXHVOSU-GOSISDBHSA-N -1 3 373.412 3.444 20 0 FGADHM O=S(=O)([N-]c1ccccc1-c1nnc[nH]1)c1ccc(C(F)F)cc1 ZINC000367442315 499199430 /nfs/dbraw/zinc/19/94/30/499199430.db2.gz GGBMZRDAVONGCD-UHFFFAOYSA-N -1 3 350.350 3.210 20 0 FGADHM COC[C@@H]1CCCCN(Cc2cc(=O)oc3cc([O-])c(Cl)cc23)C1 ZINC000367565286 499213246 /nfs/dbraw/zinc/21/32/46/499213246.db2.gz LTZPQPINHCNKHV-GFCCVEGCSA-N -1 3 351.830 3.401 20 0 FGADHM C[C@H]1C[C@@H](c2ccccc2)CCN1C(=O)c1cnc2c(cnn2C)c1[O-] ZINC000370698792 499245524 /nfs/dbraw/zinc/24/55/24/499245524.db2.gz KHANADPUAHRXRE-ZFWWWQNUSA-N -1 3 350.422 3.082 20 0 FGADHM 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Cc1ccc(Cl)cc1C(=O)NC1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000372201151 499408535 /nfs/dbraw/zinc/40/85/35/499408535.db2.gz XTALWIHLXSNGBM-UHFFFAOYSA-N -1 3 372.852 3.389 20 0 FGADHM O=c1nc(CN2CCO[C@H](C3CC3)C2)[n-]c2scc(-c3ccco3)c21 ZINC000372263159 499414659 /nfs/dbraw/zinc/41/46/59/499414659.db2.gz UZFGNEJUVXBZSG-AWEZNQCLSA-N -1 3 357.435 3.268 20 0 FGADHM Cc1cc(C=C2CCN(C(=O)c3c[n-]c4c(C)cccc4c3=O)CC2)no1 ZINC000372323176 499420671 /nfs/dbraw/zinc/42/06/71/499420671.db2.gz BFSZFMUOQKTBMF-UHFFFAOYSA-N -1 3 363.417 3.453 20 0 FGADHM O=C(Nc1cccc([O-])c1F)[C@@H]1CS[C@]2(c3ccccc3)CCC(=O)N12 ZINC000372364907 499425238 /nfs/dbraw/zinc/42/52/38/499425238.db2.gz HTGFLLGJZQKSJP-LIRRHRJNSA-N -1 3 372.421 3.061 20 0 FGADHM Cc1nc(C)c(CCC(=O)N[C@@H]2CCC[C@@H]2c2ccc(F)cc2)c(=O)[n-]1 ZINC000369644542 499430489 /nfs/dbraw/zinc/43/04/89/499430489.db2.gz YZIHOTZOBTULRF-QZTJIDSGSA-N -1 3 357.429 3.323 20 0 FGADHM Cc1ccc(-c2cnc(CNC(=O)c3c[n-]c4ccccc4c3=O)o2)cc1 ZINC000369701600 499437746 /nfs/dbraw/zinc/43/77/46/499437746.db2.gz MBWBDCKOXFGITC-UHFFFAOYSA-N -1 3 359.385 3.422 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1 ZINC000373005369 499446982 /nfs/dbraw/zinc/44/69/82/499446982.db2.gz YGSLLHFXEDDRJC-FUHWJXTLSA-N -1 3 366.396 3.072 20 0 FGADHM CSc1ccc(C(=O)N[C@H]2CCN(Cc3ccccn3)C[C@@H]2C)c([O-])c1 ZINC000373070681 499449922 /nfs/dbraw/zinc/44/99/22/499449922.db2.gz PBMMQGDVNCBPBC-KSSFIOAISA-N -1 3 371.506 3.150 20 0 FGADHM COc1cc(C)cc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])c1C ZINC000373248252 499459721 /nfs/dbraw/zinc/45/97/21/499459721.db2.gz AKNCHRVZJPEBKV-QGZVFWFLSA-N -1 3 368.433 3.261 20 0 FGADHM O=c1nc(CN2CC[C@](O)(C3CC3)C2)[n-]c2scc(-c3ccccc3)c21 ZINC000373279591 499461298 /nfs/dbraw/zinc/46/12/98/499461298.db2.gz TWDPMFSCEODMKR-HXUWFJFHSA-N -1 3 367.474 3.411 20 0 FGADHM Nc1cc(C(=O)N=c2cc(-c3ccc4ncccc4c3)o[n-]2)cc(Cl)n1 ZINC000373418866 499468625 /nfs/dbraw/zinc/46/86/25/499468625.db2.gz SMHHQRPTEQNTJA-UHFFFAOYSA-N -1 3 365.780 3.195 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@@H]2COc3ccc(Cl)cc3C2)c1-c1ccncc1 ZINC000373420798 499468847 /nfs/dbraw/zinc/46/88/47/499468847.db2.gz ZRLZBQWSDVPXML-AWEZNQCLSA-N -1 3 368.824 3.045 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@H](C)SCc2ccccc2)c1-c1ccncc1 ZINC000373428968 499469279 /nfs/dbraw/zinc/46/92/79/499469279.db2.gz WACRRQORPDFEMR-AWEZNQCLSA-N -1 3 352.463 3.462 20 0 FGADHM C[C@@H]1C[C@]2(CCO1)CN(C(=O)c1ccc3c(c1[O-])CCCC3)C[C@H](C)O2 ZINC000373748689 499486198 /nfs/dbraw/zinc/48/61/98/499486198.db2.gz TVAZPCAHLTZLQS-LRAJWGHMSA-N -1 3 359.466 3.070 20 0 FGADHM CN1CC[C@H](CNC(=O)c2cc(F)c(F)c([O-])c2F)[C@H]1c1cccs1 ZINC000375246899 499499054 /nfs/dbraw/zinc/49/90/54/499499054.db2.gz ZXSATSUIKRWQMV-PSLIRLAXSA-N -1 3 370.396 3.294 20 0 FGADHM COc1cccc(C2CCN(C(=O)c3ccc4n[n-]nc4c3)CC2)c1F ZINC000375270821 499501598 /nfs/dbraw/zinc/50/15/98/499501598.db2.gz WKDDHXTYVDZBOW-UHFFFAOYSA-N -1 3 354.385 3.125 20 0 FGADHM C[C@H](NC(=O)c1cc([O-])c2ccccc2c1)c1nnc2n1CCCCC2 ZINC000375660980 499542427 /nfs/dbraw/zinc/54/24/27/499542427.db2.gz AWEMSRCNQZNXKX-ZDUSSCGKSA-N -1 3 350.422 3.354 20 0 FGADHM O=S(=O)([N-]C[C@@H]1CCCSC1)c1ccc(Br)c(F)c1 ZINC000384104499 499547308 /nfs/dbraw/zinc/54/73/08/499547308.db2.gz FTYISNOWOQVKPW-VIFPVBQESA-N -1 3 368.293 3.010 20 0 FGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]C(C)(C)c1ccccc1 ZINC000391952739 499557625 /nfs/dbraw/zinc/55/76/25/499557625.db2.gz HBVKXSPIUPRPGV-UHFFFAOYSA-N -1 3 353.465 3.057 20 0 FGADHM [O-]c1ccc(Br)c(CN2CCN(c3ccc(F)cn3)CC2)c1 ZINC000570365892 506150048 /nfs/dbraw/zinc/15/00/48/506150048.db2.gz UONQVZDOOFILRS-UHFFFAOYSA-N -1 3 366.234 3.011 20 0 FGADHM C[C@@]1(CNc2nc(C(=O)[O-])ccc2[N+](=O)[O-])CCCN1Cc1ccccc1 ZINC000397906226 499565189 /nfs/dbraw/zinc/56/51/89/499565189.db2.gz FAMFIGHDGGWZMD-IBGZPJMESA-N -1 3 370.409 3.155 20 0 FGADHM C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1N=c1[n-]nc(C(F)(F)F)s1 ZINC000398109908 499566548 /nfs/dbraw/zinc/56/65/48/499566548.db2.gz CPZLHSAKBHLUSN-YPMHNXCESA-N -1 3 356.417 3.301 20 0 FGADHM C[C@H]1CN(Cc2ccccc2)CC[C@H]1[N-]S(=O)(=O)c1ccccc1F ZINC000398148086 499567064 /nfs/dbraw/zinc/56/70/64/499567064.db2.gz MFZZRILOCCQQMH-MAUKXSAKSA-N -1 3 362.470 3.015 20 0 FGADHM O=C([C@H]1CCCN(C(=O)c2cc([O-])c3ccccc3c2)C1)N1CCCC1 ZINC000408219716 499580839 /nfs/dbraw/zinc/58/08/39/499580839.db2.gz PWZSHHXBFYVCJW-INIZCTEOSA-N -1 3 352.434 3.020 20 0 FGADHM O=C([C@@H]1CCCN(C(=O)c2cc([O-])c3ccccc3c2)C1)N1CCCC1 ZINC000408219717 499580883 /nfs/dbraw/zinc/58/08/83/499580883.db2.gz PWZSHHXBFYVCJW-MRXNPFEDSA-N -1 3 352.434 3.020 20 0 FGADHM O=C(c1cc([O-])c2ccccc2c1)N1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000376151551 499586838 /nfs/dbraw/zinc/58/68/38/499586838.db2.gz WGOOSAURASQUID-KXBFYZLASA-N -1 3 364.445 3.161 20 0 FGADHM COc1ccccc1-n1ncc(C(=O)N=c2cc(-c3ccccc3)[n-][nH]2)c1C ZINC000409466553 499599011 /nfs/dbraw/zinc/59/90/11/499599011.db2.gz UKHNYIIEWDURCO-UHFFFAOYSA-N -1 3 373.416 3.254 20 0 FGADHM CCOC(=O)C(C)(C)CC(=O)Nc1cccc(-c2nc(CC)cc(=O)[n-]2)c1 ZINC000376338964 499601463 /nfs/dbraw/zinc/60/14/63/499601463.db2.gz SNLZKXKUJIQZNN-UHFFFAOYSA-N -1 3 371.437 3.330 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N3CCC4(CCOCC4)CC3)c[n-]c12 ZINC000376419843 499607567 /nfs/dbraw/zinc/60/75/67/499607567.db2.gz ILXBOMKDLZCNBV-UHFFFAOYSA-N -1 3 358.413 3.008 20 0 FGADHM O=C(Nc1nnc(-c2cc3ccccc3o2)[n-]1)c1cnc2cnccc2c1 ZINC000409983000 499634034 /nfs/dbraw/zinc/63/40/34/499634034.db2.gz KDFGPSITLKKCRP-UHFFFAOYSA-N -1 3 356.345 3.413 20 0 FGADHM O=C(Nc1nc(-c2cc3ccccc3o2)n[n-]1)c1cnc2cnccc2c1 ZINC000409983000 499634035 /nfs/dbraw/zinc/63/40/35/499634035.db2.gz KDFGPSITLKKCRP-UHFFFAOYSA-N -1 3 356.345 3.413 20 0 FGADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)c1cnc2cnccc2c1 ZINC000409983000 499634037 /nfs/dbraw/zinc/63/40/37/499634037.db2.gz KDFGPSITLKKCRP-UHFFFAOYSA-N -1 3 356.345 3.413 20 0 FGADHM Cc1c(NC(=O)c2cc(C)ccc2[O-])nnn1CCOc1ccc(F)cc1 ZINC000410234737 499650458 /nfs/dbraw/zinc/65/04/58/499650458.db2.gz SGULDZWWTGIDTH-UHFFFAOYSA-N -1 3 370.384 3.071 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@@H](C)Oc2cccc(Cl)c2)c1-c1ccncc1 ZINC000377129855 499664745 /nfs/dbraw/zinc/66/47/45/499664745.db2.gz RIXUCPBQCYRWSH-GFCCVEGCSA-N -1 3 356.813 3.261 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@H]2C[C@]23CCCc2ccccc23)c1-c1ccncc1 ZINC000377134694 499665014 /nfs/dbraw/zinc/66/50/14/499665014.db2.gz SPOGGEOPMVCDJI-GCJKJVERSA-N -1 3 358.445 3.435 20 0 FGADHM CCOc1cc(-c2noc([C@H]3Cc4ccc(F)cc4C(=O)O3)n2)ccc1[O-] ZINC000377469665 499694063 /nfs/dbraw/zinc/69/40/63/499694063.db2.gz HBYMUQBOXOALJX-MRXNPFEDSA-N -1 3 370.336 3.434 20 0 FGADHM CCC(CC)c1cc(C(=O)[N-]c2ccc(OC)cc2S(C)(=O)=O)on1 ZINC000411069285 499695044 /nfs/dbraw/zinc/69/50/44/499695044.db2.gz POVSPPNXRJGVFP-UHFFFAOYSA-N -1 3 366.439 3.243 20 0 FGADHM O=C([N-]c1nccn1-c1ccccc1)C(=O)NCCCC1CCCCC1 ZINC000411144902 499702629 /nfs/dbraw/zinc/70/26/29/499702629.db2.gz KQGXBLSQDHYTPD-UHFFFAOYSA-N -1 3 354.454 3.288 20 0 FGADHM C[C@@H](c1ccncc1)N1CCC(NC(=O)c2c(F)ccc([O-])c2F)CC1 ZINC000377706151 499722942 /nfs/dbraw/zinc/72/29/42/499722942.db2.gz YKFBFSPDRLFRFK-LBPRGKRZSA-N -1 3 361.392 3.021 20 0 FGADHM CCN(CC)C(=O)Cc1ccc(NC(=O)c2ccc(C(C)=O)c([O-])c2)cc1 ZINC000411374128 499731001 /nfs/dbraw/zinc/73/10/01/499731001.db2.gz KQMIQRNACLURHV-UHFFFAOYSA-N -1 3 368.433 3.258 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)c2ccc3c(C)cc(=O)[nH]c3c2)c1-c1ccncc1 ZINC000377855387 499742458 /nfs/dbraw/zinc/74/24/58/499742458.db2.gz KCQFJHNKYJXFRL-UHFFFAOYSA-N -1 3 359.389 3.017 20 0 FGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CC(Cc2ccccc2F)C1 ZINC000378053084 499756467 /nfs/dbraw/zinc/75/64/67/499756467.db2.gz LGTDQKTWPGIENH-UHFFFAOYSA-N -1 3 357.429 3.242 20 0 FGADHM CC(=O)c1ccc(C(=O)N2CCC(OCCc3ccccc3)CC2)cc1[O-] ZINC000411695633 499779339 /nfs/dbraw/zinc/77/93/39/499779339.db2.gz IOIZZHRFJBUHQZ-UHFFFAOYSA-N -1 3 367.445 3.459 20 0 FGADHM CCc1cccc(S(=O)(=O)[N-]c2ccc(OCCN(C)C)c(F)c2)c1 ZINC000414386803 499784774 /nfs/dbraw/zinc/78/47/74/499784774.db2.gz IEDAIMSHGODNTH-UHFFFAOYSA-N -1 3 366.458 3.129 20 0 FGADHM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(OCCN(C)C)c(F)c2)c1 ZINC000414390803 499785602 /nfs/dbraw/zinc/78/56/02/499785602.db2.gz YXBVBBGPIRYGMB-UHFFFAOYSA-N -1 3 366.458 3.184 20 0 FGADHM CCCCc1nc(C(=O)OCC)c(NC(=O)CC2CCSCC2)[n-]1 ZINC000573272380 506159264 /nfs/dbraw/zinc/15/92/64/506159264.db2.gz JBMQIFWMTQOFIO-UHFFFAOYSA-N -1 3 353.488 3.401 20 0 FGADHM CCCCc1nc(NC(=O)CC2CCSCC2)c(C(=O)OCC)[n-]1 ZINC000573272380 506159268 /nfs/dbraw/zinc/15/92/68/506159268.db2.gz JBMQIFWMTQOFIO-UHFFFAOYSA-N -1 3 353.488 3.401 20 0 FGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H](C)Cn2ccnc2)c1Cl ZINC000414454932 499794450 /nfs/dbraw/zinc/79/44/50/499794450.db2.gz ASSAPPYATHKNQM-JTQLQIEISA-N -1 3 362.282 3.113 20 0 FGADHM O=S(=O)([N-]CC1(c2ccncc2)CCCC1)c1cc(F)c(F)c(F)c1 ZINC000414465045 499795413 /nfs/dbraw/zinc/79/54/13/499795413.db2.gz QUZPMLNVRMQLCC-UHFFFAOYSA-N -1 3 370.396 3.289 20 0 FGADHM Cc1cc(Br)cc(CN[C@@H](C)CC(=O)[O-])c1OC(F)F ZINC000414634216 499815582 /nfs/dbraw/zinc/81/55/82/499815582.db2.gz BEPKXIORIYOLJO-QMMMGPOBSA-N -1 3 352.175 3.312 20 0 FGADHM CC(=O)c1ccc(C(=O)N[C@H](C[C@H]2CCOC2)c2ccccc2)cc1[O-] ZINC000412201922 499833347 /nfs/dbraw/zinc/83/33/47/499833347.db2.gz CWFJBRVDNIJITC-DNVCBOLYSA-N -1 3 353.418 3.493 20 0 FGADHM COc1ccc(C[C@@H](C)CNC(=O)c2ccc(C(C)=O)c([O-])c2)cc1OC ZINC000412235308 499836864 /nfs/dbraw/zinc/83/68/64/499836864.db2.gz QZJOUUUKYNNLRF-CYBMUJFWSA-N -1 3 371.433 3.221 20 0 FGADHM CC(=O)c1ccc(C(=O)N[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)cc1[O-] ZINC000412243793 499837637 /nfs/dbraw/zinc/83/76/37/499837637.db2.gz BSSKIIUTZBDVRJ-QFBILLFUSA-N -1 3 357.381 3.384 20 0 FGADHM CC(=O)c1ccc(C(=O)NCCN2CCc3c(Cl)cccc3C2)cc1[O-] ZINC000412281392 499840814 /nfs/dbraw/zinc/84/08/14/499840814.db2.gz UAHVNUHFGILXLZ-UHFFFAOYSA-N -1 3 372.852 3.036 20 0 FGADHM CCCn1nccc1C1CCN(C(=O)c2ccc(C(C)=O)c([O-])c2)CC1 ZINC000412318471 499844516 /nfs/dbraw/zinc/84/45/16/499844516.db2.gz HGLRMPUVSLDTMJ-UHFFFAOYSA-N -1 3 355.438 3.221 20 0 FGADHM COc1ccc([C@H]2C[C@H](NC(=O)c3ccc(C(C)=O)c([O-])c3)C2)cc1F ZINC000412321480 499844758 /nfs/dbraw/zinc/84/47/58/499844758.db2.gz PQIJDCSHOKFJJW-SHTZXODSSA-N -1 3 357.381 3.419 20 0 FGADHM CC(=O)c1ccc(C(=O)N[C@@H](C)[C@H](c2ccccc2C)N(C)C)cc1[O-] ZINC000412327329 499844913 /nfs/dbraw/zinc/84/49/13/499844913.db2.gz CDOKXXMJESNWMW-VBKZILBWSA-N -1 3 354.450 3.324 20 0 FGADHM CO[C@@](C)([C@H](C)NC(=O)Cc1ccc(Br)cc1[O-])C1CC1 ZINC000412606149 499868029 /nfs/dbraw/zinc/86/80/29/499868029.db2.gz WHNLTBZYSSGWSD-QFYYESIMSA-N -1 3 356.260 3.017 20 0 FGADHM O=C(Cc1ccc([O-])cc1Cl)N1CC[C@@]2(C1)CC(=O)c1ccccc1O2 ZINC000412656877 499872884 /nfs/dbraw/zinc/87/28/84/499872884.db2.gz MSKOIYARHGRJPE-FQEVSTJZSA-N -1 3 371.820 3.225 20 0 FGADHM C[C@]1(C[N-]S(=O)(=O)Cc2cccc(Cl)c2)OCCc2sccc21 ZINC000573291250 506163347 /nfs/dbraw/zinc/16/33/47/506163347.db2.gz JLWCIPBCJMNQMN-MRXNPFEDSA-N -1 3 371.911 3.309 20 0 FGADHM C[C@@]1(C[N-]S(=O)(=O)Cc2cccc(Cl)c2)OCCc2sccc21 ZINC000573291249 506163428 /nfs/dbraw/zinc/16/34/28/506163428.db2.gz JLWCIPBCJMNQMN-INIZCTEOSA-N -1 3 371.911 3.309 20 0 FGADHM CCS(=O)(=O)CCCNC(=O)c1cc(C(C)C)cc(C(C)C)c1[O-] ZINC000412867807 499892232 /nfs/dbraw/zinc/89/22/32/499892232.db2.gz ZDFQPHALUKBFLZ-UHFFFAOYSA-N -1 3 355.500 3.194 20 0 FGADHM COC(=O)c1sc2[n-]c(CSCCCSC)nc(=O)c2c1C ZINC000413008669 499904024 /nfs/dbraw/zinc/90/40/24/499904024.db2.gz OTBFVZLTQXCCRF-UHFFFAOYSA-N -1 3 358.510 3.066 20 0 FGADHM Cc1cc(C(=O)[N-]c2sc3c(c2C(=O)OC(C)(C)C)CCOC3)on1 ZINC000416024443 499942368 /nfs/dbraw/zinc/94/23/68/499942368.db2.gz SYMGXNNSGIFTAW-UHFFFAOYSA-N -1 3 364.423 3.325 20 0 FGADHM CN1CCC[C@@H](CNC(=O)c2ccc(C(=O)[O-])cc2)[C@@H]1c1cccs1 ZINC000582241212 506167410 /nfs/dbraw/zinc/16/74/10/506167410.db2.gz HFDAMXVLTBLQFI-DOTOQJQBSA-N -1 3 358.463 3.259 20 0 FGADHM CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1cccc(-n2nc(C)cc2C)c1 ZINC000421151579 499973531 /nfs/dbraw/zinc/97/35/31/499973531.db2.gz IXKAWNUBQKDIBO-SFHVURJKSA-N -1 3 365.499 3.292 20 0 FGADHM COc1cc(C(=O)NC[C@H](CC(C)C)C(=O)OC(C)(C)C)ccc1[O-] ZINC000424956314 499977077 /nfs/dbraw/zinc/97/70/77/499977077.db2.gz QYTMCZRFFANRFJ-AWEZNQCLSA-N -1 3 351.443 3.135 20 0 FGADHM CO[C@@H](Cc1ccccc1)CS(=O)(=O)[N-]c1ccc(F)c(C(C)=O)c1 ZINC000421166883 499979594 /nfs/dbraw/zinc/97/95/94/499979594.db2.gz RJDHIHCYVUGSGE-INIZCTEOSA-N -1 3 365.426 3.028 20 0 FGADHM CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1ccc(C(F)(F)F)nc1C ZINC000421167566 499980302 /nfs/dbraw/zinc/98/03/02/499980302.db2.gz UNTITJLBXIFOAS-NSHDSACASA-N -1 3 354.394 3.212 20 0 FGADHM CC(C)(C)Oc1cccc(C[S@@](=O)Cc2cc(=O)[n-]c(C3CC3)n2)n1 ZINC000417159148 499991734 /nfs/dbraw/zinc/99/17/34/499991734.db2.gz BYVYMSWRYUWWCT-RUZDIDTESA-N -1 3 361.467 3.081 20 0 FGADHM CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1nc(C)c(Cl)cc1Cl ZINC000421231581 499997821 /nfs/dbraw/zinc/99/78/21/499997821.db2.gz JKDWVPYBKVBHIR-JTQLQIEISA-N -1 3 355.287 3.500 20 0 FGADHM C[C@@H](NC(=O)c1ccc([N-]S(C)(=O)=O)cc1)c1ccc(C2CC2)cc1 ZINC000416289149 500007907 /nfs/dbraw/zinc/00/79/07/500007907.db2.gz IOWIOFDKYSLNJP-CYBMUJFWSA-N -1 3 358.463 3.427 20 0 FGADHM C[C@H]1CCCN(C(=O)Cc2ccc([O-])c(F)c2)[C@H]1C(=O)OC(C)(C)C ZINC000425058854 500008809 /nfs/dbraw/zinc/00/88/09/500008809.db2.gz YKWCLKPXMALJOZ-YVEFUNNKSA-N -1 3 351.418 3.043 20 0 FGADHM C[C@H]1[C@@H](C)N(C(=O)Cc2csc(NC(=O)c3cccc([O-])c3)n2)C[C@H]1C ZINC000416317340 500013384 /nfs/dbraw/zinc/01/33/84/500013384.db2.gz CZMDVBVWXBQJHE-JHJVBQTASA-N -1 3 373.478 3.146 20 0 FGADHM C[C@@H]1CCCc2nc(S(=O)(=O)[N-][C@H](c3ccco3)c3ccccc3)cn21 ZINC000416367815 500029289 /nfs/dbraw/zinc/02/92/89/500029289.db2.gz DKDKODZHPUIWRS-KUHUBIRLSA-N -1 3 371.462 3.441 20 0 FGADHM Cc1sc(C[N-]S(=O)(=O)c2cn3c(n2)CCC[C@H]3C)nc1C(C)C ZINC000416395510 500036604 /nfs/dbraw/zinc/03/66/04/500036604.db2.gz ZQYHKPCJSUTSPY-LLVKDONJSA-N -1 3 368.528 3.147 20 0 FGADHM Cc1cc(F)c(S(=O)(=O)[N-][C@@H](C)[C@H]2CCCN(C3CCC3)C2)c(F)c1 ZINC000425172603 500036684 /nfs/dbraw/zinc/03/66/84/500036684.db2.gz UZKGPSKGLCXTOT-KBPBESRZSA-N -1 3 372.481 3.205 20 0 FGADHM C[C@H]1CCCc2nc(S(=O)(=O)[N-]c3c(F)c(F)cc(F)c3F)cn21 ZINC000416413021 500038852 /nfs/dbraw/zinc/03/88/52/500038852.db2.gz BOQMYRVALKVJAB-ZETCQYMHSA-N -1 3 363.336 3.138 20 0 FGADHM C[C@@H]1CC[C@@H](C[N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)O1 ZINC000416537582 500058661 /nfs/dbraw/zinc/05/86/61/500058661.db2.gz UDROHHHVYRGFAB-SCZZXKLOSA-N -1 3 357.781 3.205 20 0 FGADHM COc1ccc(C)cc1[C@H](C)[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000416546344 500060121 /nfs/dbraw/zinc/06/01/21/500060121.db2.gz KDOLDUTZRORRPS-NSHDSACASA-N -1 3 374.384 3.457 20 0 FGADHM COc1ccc(C)cc1[C@@H](C)[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000416546343 500060173 /nfs/dbraw/zinc/06/01/73/500060173.db2.gz KDOLDUTZRORRPS-LLVKDONJSA-N -1 3 374.384 3.457 20 0 FGADHM CC[C@@H](C[N-]S(=O)(=O)c1c(C)nn(CC(C)C)c1C)CC(F)(F)F ZINC000416603529 500070998 /nfs/dbraw/zinc/07/09/98/500070998.db2.gz VOVRXQWMLUSMQR-CYBMUJFWSA-N -1 3 369.453 3.413 20 0 FGADHM CO[C@](C)([C@H](C)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)C1CC1 ZINC000416602665 500071366 /nfs/dbraw/zinc/07/13/66/500071366.db2.gz RUHCMYBHMSJVKG-LKFCYVNXSA-N -1 3 369.380 3.326 20 0 FGADHM CC[C@@H]([N-]S(=O)(=O)c1ccc(-c2csc(C)n2)s1)[C@H](O)C(C)C ZINC000416623837 500073821 /nfs/dbraw/zinc/07/38/21/500073821.db2.gz NWWXMPLBENUGJU-IAQYHMDHSA-N -1 3 374.553 3.254 20 0 FGADHM COc1cccc(F)c1C(=O)[N-]c1ncn(Cc2ccc(Cl)cc2)n1 ZINC000429586306 500108925 /nfs/dbraw/zinc/10/89/25/500108925.db2.gz VXVDERCPGXNMMZ-UHFFFAOYSA-N -1 3 360.776 3.380 20 0 FGADHM CCc1occc1C(=O)N=c1[n-]n(CC(F)(F)F)cc1Br ZINC000421678882 500113638 /nfs/dbraw/zinc/11/36/38/500113638.db2.gz FFLKAPFDRRNJEK-UHFFFAOYSA-N -1 3 366.137 3.038 20 0 FGADHM CC[C@H]1CCC[C@@H]1C(=O)N=c1[n-]n(CC(F)(F)F)cc1Br ZINC000421679386 500114883 /nfs/dbraw/zinc/11/48/83/500114883.db2.gz KBVLNROCTJQFTG-IUCAKERBSA-N -1 3 368.197 3.395 20 0 FGADHM Cc1ccccc1-n1cc(CN[C@H](CCCc2ccccc2)C(=O)[O-])nn1 ZINC000417578172 500114927 /nfs/dbraw/zinc/11/49/27/500114927.db2.gz XXISKZLVOIQPEG-LJQANCHMSA-N -1 3 364.449 3.141 20 0 FGADHM CCC1CCC(N(C(=O)N=c2cc(OC(F)F)n(C)[n-]2)C2CC2)CC1 ZINC000429631914 500115339 /nfs/dbraw/zinc/11/53/39/500115339.db2.gz PWVFPXHPPOWKFY-UHFFFAOYSA-N -1 3 356.417 3.409 20 0 FGADHM COc1cc(CN[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)c(SC)cc1OC ZINC000417584063 500117438 /nfs/dbraw/zinc/11/74/38/500117438.db2.gz LZNSYLYKSDZILE-BZNIZROVSA-N -1 3 371.499 3.172 20 0 FGADHM CC[C@@H](Cc1ccccc1)N(CC)C(=O)N=c1cc(OC(F)F)n(C)[n-]1 ZINC000429647233 500117757 /nfs/dbraw/zinc/11/77/57/500117757.db2.gz PEMDCTMVYADLDE-AWEZNQCLSA-N -1 3 366.412 3.319 20 0 FGADHM C[C@@H](c1cc2ccccc2o1)N(C)C(=O)N=c1cc(OC(F)F)n(C)[n-]1 ZINC000429652249 500118623 /nfs/dbraw/zinc/11/86/23/500118623.db2.gz LNEUHTYQRYSMJP-JTQLQIEISA-N -1 3 364.352 3.415 20 0 FGADHM CCC[C@@H](NC(=O)C(=O)[N-]c1cnns1)c1ccc(Cl)c(Cl)c1 ZINC000429666880 500120470 /nfs/dbraw/zinc/12/04/70/500120470.db2.gz HXORDLYCDTVNBU-LLVKDONJSA-N -1 3 373.265 3.441 20 0 FGADHM CC(C)(C)OC[C@H](NCc1cccc(OCc2ccccn2)c1)C(=O)[O-] ZINC000417600533 500122007 /nfs/dbraw/zinc/12/20/07/500122007.db2.gz QPKDDBVAKRXTDE-SFHVURJKSA-N -1 3 358.438 3.019 20 0 FGADHM CC(C)=CCSC[C@@H](NCc1cnn(Cc2ccccc2)c1)C(=O)[O-] ZINC000417621067 500127453 /nfs/dbraw/zinc/12/74/53/500127453.db2.gz DZGQVQRAFFAQCR-GOSISDBHSA-N -1 3 359.495 3.174 20 0 FGADHM O=C([O-])[C@H]1C=C[C@H](NCc2cccc(Br)c2OC(F)F)C1 ZINC000417626870 500129467 /nfs/dbraw/zinc/12/94/67/500129467.db2.gz UAEUQGMKYUDOEF-WPRPVWTQSA-N -1 3 362.170 3.169 20 0 FGADHM O=C([O-])[C@@H]1C=C[C@@H](NCc2cc(Cl)ccc2OCc2cccnc2)C1 ZINC000417625962 500129477 /nfs/dbraw/zinc/12/94/77/500129477.db2.gz SBQHAJFTCJUNJA-RHSMWYFYSA-N -1 3 358.825 3.433 20 0 FGADHM CC(C)=CCSC[C@@H](NCc1ccc2c(c1)OCCCCO2)C(=O)[O-] ZINC000417630209 500130174 /nfs/dbraw/zinc/13/01/74/500130174.db2.gz UFSBBFALALGQSO-MRXNPFEDSA-N -1 3 365.495 3.480 20 0 FGADHM CCn1cc(CN[C@@H](c2ccc(Br)cc2)[C@@H](C)C(=O)[O-])cn1 ZINC000417641146 500134062 /nfs/dbraw/zinc/13/40/62/500134062.db2.gz OPLIXILWYUJKCT-IAQYHMDHSA-N -1 3 366.259 3.217 20 0 FGADHM C[C@H]1[C@H](CO)CCCN1C(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000414040295 500134446 /nfs/dbraw/zinc/13/44/46/500134446.db2.gz QTOJPPYEKFKSKU-RDJZCZTQSA-N -1 3 355.434 3.204 20 0 FGADHM Cc1nn(-c2ccc(F)cc2)c(C)c1CNCCc1cccc(C(=O)[O-])n1 ZINC000417640205 500134671 /nfs/dbraw/zinc/13/46/71/500134671.db2.gz WTYWAOICHONSRR-UHFFFAOYSA-N -1 3 368.412 3.054 20 0 FGADHM COCCOCc1ccc(CNCc2cc(F)c(C(=O)[O-])c(F)c2)cc1 ZINC000417647180 500136700 /nfs/dbraw/zinc/13/67/00/500136700.db2.gz KOVJFIAOUZPEQW-UHFFFAOYSA-N -1 3 365.376 3.116 20 0 FGADHM COc1cccc(C[C@@H](CNCc2c(Cl)cccc2OC)C(=O)[O-])c1 ZINC000417657611 500139967 /nfs/dbraw/zinc/13/99/67/500139967.db2.gz YNCQUMPVCZOXIZ-AWEZNQCLSA-N -1 3 363.841 3.390 20 0 FGADHM COc1cc(CN[C@@H](CC(=O)OC(C)(C)C)C(=O)[O-])cc2ccccc21 ZINC000417663101 500141902 /nfs/dbraw/zinc/14/19/02/500141902.db2.gz MKEUDWRUJJRKER-INIZCTEOSA-N -1 3 359.422 3.123 20 0 FGADHM CCc1nc(C2([N-]S(=O)(=O)c3c(C)cc(F)cc3C)CCCC2)no1 ZINC000429810911 500148914 /nfs/dbraw/zinc/14/89/14/500148914.db2.gz CWMQAUVZAORPTR-UHFFFAOYSA-N -1 3 367.446 3.136 20 0 FGADHM O=S(=O)([N-]CCc1ccc2c(c1)CCO2)c1ccc(Cl)cc1Cl ZINC000429834148 500153499 /nfs/dbraw/zinc/15/34/99/500153499.db2.gz VREIAOUQWDYGRF-UHFFFAOYSA-N -1 3 372.273 3.449 20 0 FGADHM Cn1ncc(Cl)c1S(=O)(=O)[N-][C@H](CC(F)(F)F)c1ccccc1 ZINC000429837120 500153571 /nfs/dbraw/zinc/15/35/71/500153571.db2.gz KPTKEQQTQQGPFP-LLVKDONJSA-N -1 3 367.780 3.046 20 0 FGADHM CCOC(=O)CC[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000429841468 500154546 /nfs/dbraw/zinc/15/45/46/500154546.db2.gz XIMIOQMQVOQPHS-VIFPVBQESA-N -1 3 354.255 3.004 20 0 FGADHM CCc1cnc(C[N-]S(=O)(=O)c2ccc(Cl)cc2Cl)s1 ZINC000429844921 500154878 /nfs/dbraw/zinc/15/48/78/500154878.db2.gz BRSWOEYWSCPTNG-UHFFFAOYSA-N -1 3 351.280 3.491 20 0 FGADHM C[C@H](CC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000429855200 500156673 /nfs/dbraw/zinc/15/66/73/500156673.db2.gz BKBCTTQCAQKJBQ-SECBINFHSA-N -1 3 368.282 3.392 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Cl)[C@H](O)Cc1ccccc1 ZINC000429870815 500159291 /nfs/dbraw/zinc/15/92/91/500159291.db2.gz JHGBNKPAWMJWMO-IAQYHMDHSA-N -1 3 374.289 3.264 20 0 FGADHM O=c1cc(C(F)F)nc(SCc2ccc(CN3CCOCC3)cc2)[n-]1 ZINC000421846533 500163554 /nfs/dbraw/zinc/16/35/54/500163554.db2.gz ZZLAMRHHRGXESS-UHFFFAOYSA-N -1 3 367.421 3.244 20 0 FGADHM CC(=O)N(c1ccc(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)cc1)[C@H]1C[C@@H]1C ZINC000576528603 506179770 /nfs/dbraw/zinc/17/97/70/506179770.db2.gz AGRKHLCCLRJIRH-GTNSWQLSSA-N -1 3 366.421 3.073 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCC(F)(F)C2)c(Br)c1 ZINC000429904218 500164877 /nfs/dbraw/zinc/16/48/77/500164877.db2.gz SFWMJYCWLDNQIU-JTQLQIEISA-N -1 3 368.243 3.471 20 0 FGADHM C[C@]1(C[N-]S(=O)(=O)c2ccc(Cl)cc2Cl)CCO[C@@H]1C1CC1 ZINC000429912315 500166060 /nfs/dbraw/zinc/16/60/60/500166060.db2.gz WKZBDCQQZSANBA-HUUCEWRRSA-N -1 3 364.294 3.477 20 0 FGADHM CCOc1ccc(F)c([N-]S(=O)(=O)c2cn3c(n2)CCC[C@H]3C)c1F ZINC000416966443 500168721 /nfs/dbraw/zinc/16/87/21/500168721.db2.gz YHWYWZRMODFEQO-SNVBAGLBSA-N -1 3 371.409 3.258 20 0 FGADHM Cn1[n-]c(=NC(=O)N2CC(C)(C)C[C@H]2c2ccccc2)cc1OC(F)F ZINC000425659344 500173374 /nfs/dbraw/zinc/17/33/74/500173374.db2.gz DUIBAZCOQSIDDN-ZDUSSCGKSA-N -1 3 364.396 3.449 20 0 FGADHM C[C@@H]1[C@H](C(=O)OC(C)(C)C)CCCN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000421919236 500176254 /nfs/dbraw/zinc/17/62/54/500176254.db2.gz IYCABAPMHPIHLP-ZIAGYGMSSA-N -1 3 370.449 3.111 20 0 FGADHM O=S(=O)([N-][C@@H]1C[C@H]1c1ccccc1Br)c1ccccc1F ZINC000430000293 500179247 /nfs/dbraw/zinc/17/92/47/500179247.db2.gz OMVZGKQRVIIBCY-SMDDNHRTSA-N -1 3 370.243 3.423 20 0 FGADHM O=S(=O)([N-][C@@H]1C[C@H]1c1ccccc1)c1cc(Br)ccc1F ZINC000430022753 500181996 /nfs/dbraw/zinc/18/19/96/500181996.db2.gz VSLIMIBVQKNLQY-GXTWGEPZSA-N -1 3 370.243 3.423 20 0 FGADHM CC(C)(CO)[C@@H]([N-]S(=O)(=O)c1cc(F)cc(F)c1)c1cccs1 ZINC000573367453 506181377 /nfs/dbraw/zinc/18/13/77/506181377.db2.gz AHUWRGRYGIMVEA-AWEZNQCLSA-N -1 3 361.435 3.064 20 0 FGADHM O=C(CSc1ccccc1)N=c1cc2ccc(Br)cn2[n-]1 ZINC000430097341 500191766 /nfs/dbraw/zinc/19/17/66/500191766.db2.gz QGQAUPZEJAUQAG-UHFFFAOYSA-N -1 3 362.252 3.250 20 0 FGADHM COc1ccc(C(=O)N2Cc3ccc(OC)cc3OC(C)(C)C2)c([O-])c1 ZINC000422052382 500206693 /nfs/dbraw/zinc/20/66/93/500206693.db2.gz QPDBLYDCSZUYFB-UHFFFAOYSA-N -1 3 357.406 3.223 20 0 FGADHM CC(=O)c1ccc(C(=O)N2C[C@H](C)C[C@H](C(=O)OC(C)(C)C)C2)cc1[O-] ZINC000422126298 500217281 /nfs/dbraw/zinc/21/72/81/500217281.db2.gz QFSPOVKOAJVGOS-DOMZBBRYSA-N -1 3 361.438 3.035 20 0 FGADHM C[C@@H]1CC[C@@H](N(C)C(=O)Cc2csc(NC(=O)c3cccc([O-])c3)n2)C1 ZINC000430474895 500244664 /nfs/dbraw/zinc/24/46/64/500244664.db2.gz UIBNYINDCGXCRV-IUODEOHRSA-N -1 3 373.478 3.291 20 0 FGADHM COc1cc(Br)c(CN(C)[C@@H](CC(C)C)C(=O)[O-])cc1OC ZINC000579483920 506185563 /nfs/dbraw/zinc/18/55/63/506185563.db2.gz AOBPBQSBCBBYDV-ZDUSSCGKSA-N -1 3 374.275 3.397 20 0 FGADHM COC(=O)C12CCC(C(=O)N=c3cc(-c4cc(C)cc(C)c4)[n-][nH]3)(CC1)C2 ZINC000430643106 500265601 /nfs/dbraw/zinc/26/56/01/500265601.db2.gz LLWHGHDMEKUGKU-UHFFFAOYSA-N -1 3 367.449 3.177 20 0 FGADHM CCN(Cc1ccc2ccccc2c1)C(=O)CNC(=O)c1cccc([O-])c1 ZINC000426426318 500271914 /nfs/dbraw/zinc/27/19/14/500271914.db2.gz GYABTKJOIJZROV-UHFFFAOYSA-N -1 3 362.429 3.324 20 0 FGADHM COC(=O)c1ccc(-c2nc([C@H]3CCCc4cc(OC)ccc43)no2)[n-]1 ZINC000426462032 500275271 /nfs/dbraw/zinc/27/52/71/500275271.db2.gz RRFMCBGCEZGCDW-AWEZNQCLSA-N -1 3 353.378 3.328 20 0 FGADHM COc1cc2c(c(CNCC[C@H](Cc3ccccc3)C(=O)[O-])c1)O[C@@H](C)C2 ZINC000426626420 500296779 /nfs/dbraw/zinc/29/67/79/500296779.db2.gz AAXDTUGFJOMFPM-DOTOQJQBSA-N -1 3 369.461 3.442 20 0 FGADHM COc1cc2c(c(CNC[C@H](Cc3ccccc3C)C(=O)[O-])c1)O[C@@H](C)C2 ZINC000426631455 500297611 /nfs/dbraw/zinc/29/76/11/500297611.db2.gz OKWYXVCKUDBEKX-KXBFYZLASA-N -1 3 369.461 3.360 20 0 FGADHM C[C@H](NC(=O)CNC(=O)c1cccc([O-])c1)c1ccccc1C(F)(F)F ZINC000426639784 500299090 /nfs/dbraw/zinc/29/90/90/500299090.db2.gz OXMBVCKUUWGYLL-NSHDSACASA-N -1 3 366.339 3.018 20 0 FGADHM COc1ccc(CNC[C@H](Oc2ccc(F)cc2)C(=O)[O-])c(Cl)c1 ZINC000426647733 500300267 /nfs/dbraw/zinc/30/02/67/500300267.db2.gz OSUPLZMZDCWZMZ-INIZCTEOSA-N -1 3 353.777 3.110 20 0 FGADHM O=C([O-])[C@@H](CNCc1cc(F)cc2cccnc21)Oc1ccc(F)cc1 ZINC000426656421 500302023 /nfs/dbraw/zinc/30/20/23/500302023.db2.gz IJXTVBZRXLCOQH-QGZVFWFLSA-N -1 3 358.344 3.135 20 0 FGADHM COc1ccc(Br)cc1CN[C@H](Cc1ccccc1)C(=O)[O-] ZINC000426690811 500306864 /nfs/dbraw/zinc/30/68/64/500306864.db2.gz CMGGRQXLKFDWGM-OAHLLOKOSA-N -1 3 364.239 3.243 20 0 FGADHM O=C([O-])[C@H](CNCc1cccc2c1OCCO2)Cc1ccc(Cl)cc1 ZINC000426700818 500307967 /nfs/dbraw/zinc/30/79/67/500307967.db2.gz VBPRARVVJJOBEL-HNNXBMFYSA-N -1 3 361.825 3.144 20 0 FGADHM COc1ccc([C@H](CCC(=O)[O-])NCc2cccc3c2OCCO3)cc1 ZINC000426733807 500312919 /nfs/dbraw/zinc/31/29/19/500312919.db2.gz NZPRGSPEWYKGFH-KRWDZBQOSA-N -1 3 357.406 3.162 20 0 FGADHM Cc1cc(CN[C@@H](C(=O)[O-])c2cccc(Cl)c2)ccc1-n1cncn1 ZINC000426747490 500314636 /nfs/dbraw/zinc/31/46/36/500314636.db2.gz PRMIQQSCJOUJOO-QGZVFWFLSA-N -1 3 356.813 3.145 20 0 FGADHM Cc1cc(C)n(C[C@H](NCc2cccc(OC3CCCC3)c2)C(=O)[O-])n1 ZINC000426764483 500317086 /nfs/dbraw/zinc/31/70/86/500317086.db2.gz XBZUBQRQJFMWEZ-IBGZPJMESA-N -1 3 357.454 3.064 20 0 FGADHM Cc1nc(COc2ccc(CN[C@@H](CC(=O)[O-])c3ccccc3)cc2)no1 ZINC000426771780 500318409 /nfs/dbraw/zinc/31/84/09/500318409.db2.gz ANSJTTQIHLMVMP-SFHVURJKSA-N -1 3 367.405 3.263 20 0 FGADHM O=C([O-])[C@H](NCc1ccc(OCc2ccncc2)cc1)c1ccc(O)cc1 ZINC000426775701 500318703 /nfs/dbraw/zinc/31/87/03/500318703.db2.gz UJMXDBFYYFADJV-HXUWFJFHSA-N -1 3 364.401 3.282 20 0 FGADHM COc1cc(CN[C@H](C(=O)[O-])c2cccs2)cc(Br)c1O ZINC000426807381 500323099 /nfs/dbraw/zinc/32/30/99/500323099.db2.gz NMLRLPVVVWSUGC-LBPRGKRZSA-N -1 3 372.240 3.140 20 0 FGADHM O=C([O-])[C@@H](NCc1cc(Cl)c2c(c1)OCCO2)c1cccc(F)c1 ZINC000426810316 500323772 /nfs/dbraw/zinc/32/37/72/500323772.db2.gz YRFDFOOBYXFIFP-HNNXBMFYSA-N -1 3 351.761 3.166 20 0 FGADHM O=C([O-])[C@H](Cc1ccc(OC(F)F)cc1)NCc1cc(F)ccc1F ZINC000426816141 500324410 /nfs/dbraw/zinc/32/44/10/500324410.db2.gz NYUIBNIQJMHNMI-HNNXBMFYSA-N -1 3 357.303 3.352 20 0 FGADHM CCC(CC)N(CC(C)C)C(=O)c1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000426880891 500332282 /nfs/dbraw/zinc/33/22/82/500332282.db2.gz BSNMYWCXWHJCIS-HXUWFJFHSA-N -1 3 359.470 3.028 20 0 FGADHM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc(F)c(NC(N)=O)c2)c1C ZINC000431170407 500344979 /nfs/dbraw/zinc/34/49/79/500344979.db2.gz WCIOEKSSLTWNAS-UHFFFAOYSA-N -1 3 365.430 3.351 20 0 FGADHM COC(=O)c1cccc([N-]S(=O)(=O)c2cc(C)cc(F)c2)c1Cl ZINC000431176354 500346008 /nfs/dbraw/zinc/34/60/08/500346008.db2.gz CQLFAQDUIZQWRB-UHFFFAOYSA-N -1 3 357.790 3.375 20 0 FGADHM CCCOc1cccc([N-]S(=O)(=O)CC2(C(=O)OC)CCCCC2)c1 ZINC000427105176 500354317 /nfs/dbraw/zinc/35/43/17/500354317.db2.gz WAUJUYWVTRBORT-UHFFFAOYSA-N -1 3 369.483 3.341 20 0 FGADHM O=S(=O)([N-]Cc1cnc(C2CC2)o1)c1ccc(C(F)(F)F)cc1F ZINC000582342053 506190848 /nfs/dbraw/zinc/19/08/48/506190848.db2.gz KRCCOIQLOYWPTL-UHFFFAOYSA-N -1 3 364.320 3.188 20 0 FGADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1ccc(Oc2ccncc2)c(Cl)c1 ZINC000427139930 500358275 /nfs/dbraw/zinc/35/82/75/500358275.db2.gz LTLOBKHKJQXLDR-UHFFFAOYSA-N -1 3 372.768 3.289 20 0 FGADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1cccc(OCc2cccs2)c1 ZINC000427137746 500358344 /nfs/dbraw/zinc/35/83/44/500358344.db2.gz UMCCSBZQEPMGPD-UHFFFAOYSA-N -1 3 357.391 3.089 20 0 FGADHM O=S(=O)([N-]Cc1ccc2c(c1)COC2)c1csc(-c2ccccc2)n1 ZINC000431313465 500362477 /nfs/dbraw/zinc/36/24/77/500362477.db2.gz MGPCHXGGUHABDK-UHFFFAOYSA-N -1 3 372.471 3.319 20 0 FGADHM COC(=O)c1ccc(C(=O)Nc2ccc(-c3cn4c(n3)CCCC4)cc2)[n-]1 ZINC000431389150 500371393 /nfs/dbraw/zinc/37/13/93/500371393.db2.gz OGZVDHZBBQWFPF-UHFFFAOYSA-N -1 3 364.405 3.253 20 0 FGADHM Cc1c(COC(C)(C)C)cccc1NC(=O)CNC(=O)c1cccc([O-])c1 ZINC000427239524 500371952 /nfs/dbraw/zinc/37/19/52/500371952.db2.gz QNJYKYIAJSONEB-UHFFFAOYSA-N -1 3 370.449 3.384 20 0 FGADHM CCS[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000427251810 500373943 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Cc1cc(NC(=O)c2cc(-c3ccc(C)o3)n[n-]2)n(Cc2ccccn2)n1 ZINC000431553097 500391382 /nfs/dbraw/zinc/39/13/82/500391382.db2.gz NSCBWQSNQMZERM-UHFFFAOYSA-N -1 3 362.393 3.179 20 0 FGADHM Cc1ncsc1CNc1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000419718975 500391490 /nfs/dbraw/zinc/39/14/90/500391490.db2.gz WPMQYUFQFMQTSQ-UHFFFAOYSA-N -1 3 357.476 3.280 20 0 FGADHM C[N-]S(=O)(=O)c1cc(NCc2cccn2CCC(C)C)ccc1F ZINC000419780505 500396780 /nfs/dbraw/zinc/39/67/80/500396780.db2.gz OQIGYBWVJYBILG-UHFFFAOYSA-N -1 3 353.463 3.194 20 0 FGADHM C[N-]S(=O)(=O)c1cc(NCc2ccc(OCC3CC3)cc2)ccc1F ZINC000419781024 500397217 /nfs/dbraw/zinc/39/72/17/500397217.db2.gz PFCZLYLULNVYPU-UHFFFAOYSA-N -1 3 364.442 3.135 20 0 FGADHM CCOC(=O)C(C)(C)C(=O)[N-]c1cc(-c2ccc(Br)o2)no1 ZINC000419918157 500406685 /nfs/dbraw/zinc/40/66/85/500406685.db2.gz COKCKNGLMKGYJP-UHFFFAOYSA-N -1 3 371.187 3.225 20 0 FGADHM COCc1ccccc1CS(=O)(=O)[N-]c1cc2cccnc2c(OC)c1 ZINC000427654726 500417572 /nfs/dbraw/zinc/41/75/72/500417572.db2.gz 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506200646 /nfs/dbraw/zinc/20/06/46/506200646.db2.gz AQXPBGOXCRBBKQ-CQSZACIVSA-N -1 3 362.389 3.130 20 0 FGADHM O=C(CNC(=O)c1cccc([O-])c1)Nc1ncc(-c2ccc(F)cc2)s1 ZINC000432198647 500482826 /nfs/dbraw/zinc/48/28/26/500482826.db2.gz POIDPFLYXYDBGF-UHFFFAOYSA-N -1 3 371.393 3.023 20 0 FGADHM Cc1cc([N-]S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)ccc1OC(C)C ZINC000432206965 500483801 /nfs/dbraw/zinc/48/38/01/500483801.db2.gz SZENFQXHECEVMR-UHFFFAOYSA-N -1 3 372.446 3.425 20 0 FGADHM CC(C)(CO)CCC[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000420672015 500486285 /nfs/dbraw/zinc/48/62/85/500486285.db2.gz JUBPMYWKXVXSNL-UHFFFAOYSA-N -1 3 371.833 3.018 20 0 FGADHM CO[C@H](CC(C)C)CS(=O)(=O)[N-][C@H](C)c1ncc(-c2ccccc2)o1 ZINC000420679602 500487567 /nfs/dbraw/zinc/48/75/67/500487567.db2.gz VAFVJSJHGGKXDQ-GDBMZVCRSA-N -1 3 366.483 3.383 20 0 FGADHM C[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)F)[C@H](C)O1 ZINC000420704780 500490218 /nfs/dbraw/zinc/49/02/18/500490218.db2.gz WTFOOGRIODQUEY-UTLUCORTSA-N -1 3 369.817 3.033 20 0 FGADHM CCOC(C)(C)C[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000420725390 500492020 /nfs/dbraw/zinc/49/20/20/500492020.db2.gz MJBIOPMEANYPFE-UHFFFAOYSA-N -1 3 357.806 3.035 20 0 FGADHM O=S(=O)([N-]CCCC1(O)CCC1)c1cc(C(F)(F)F)ccc1Cl ZINC000420727219 500492276 /nfs/dbraw/zinc/49/22/76/500492276.db2.gz OFYTWNOKUKUNJR-UHFFFAOYSA-N -1 3 371.808 3.332 20 0 FGADHM C[C@H]1COCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1OCCC1CC1 ZINC000432294329 500494752 /nfs/dbraw/zinc/49/47/52/500494752.db2.gz RBIWWMSJDKKWJK-SWLSCSKDSA-N -1 3 373.902 3.222 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]C(C)(C)c2cn(C(C)C)nn2)c(Cl)cc1F ZINC000420756691 500495422 /nfs/dbraw/zinc/49/54/22/500495422.db2.gz DEGZPYQADXKKJU-UHFFFAOYSA-N -1 3 374.869 3.174 20 0 FGADHM Cc1ncc(CNC(=O)NCC[C@@H](c2ccccc2)C(F)(F)F)c(=O)[n-]1 ZINC000432460976 500518648 /nfs/dbraw/zinc/51/86/48/500518648.db2.gz GNMVELZLAYARKT-AWEZNQCLSA-N -1 3 368.359 3.026 20 0 FGADHM Cc1cc(F)c(CNC2CCN(c3cc(C(=O)[O-])ccn3)CC2)c(F)c1 ZINC000424617492 500529073 /nfs/dbraw/zinc/52/90/73/500529073.db2.gz LFWSOLMRCXBMAS-UHFFFAOYSA-N -1 3 361.392 3.125 20 0 FGADHM COc1cc(C)ccc1-c1noc(-c2ccc([N-]S(C)(=O)=O)cc2)n1 ZINC000432559747 500532474 /nfs/dbraw/zinc/53/24/74/500532474.db2.gz SCVSAGWWNITOGI-UHFFFAOYSA-N -1 3 359.407 3.092 20 0 FGADHM C[C@@H]1C[C@@H](CO)CN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)C1 ZINC000420954723 500540851 /nfs/dbraw/zinc/54/08/51/500540851.db2.gz ZUTRUOBKWWHBGJ-VXGBXAGGSA-N -1 3 359.451 3.107 20 0 FGADHM COCc1cccc(OCC2(CSc3ncc(C(=O)OC)[n-]3)CC2)c1 ZINC000432664288 500545661 /nfs/dbraw/zinc/54/56/61/500545661.db2.gz FNMULBXQKSLKPI-UHFFFAOYSA-N -1 3 362.451 3.294 20 0 FGADHM O=c1nc(CN2CC[C@@]23CCOC3)[n-]c2sc(-c3ccccc3)cc21 ZINC000421010921 500553437 /nfs/dbraw/zinc/55/34/37/500553437.db2.gz CYTGLCVUCFGVHZ-IBGZPJMESA-N -1 3 353.447 3.429 20 0 FGADHM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(N(C)C)cc2)c1 ZINC000432757953 500558752 /nfs/dbraw/zinc/55/87/52/500558752.db2.gz CVEMDFYIKLSSJF-UHFFFAOYSA-N -1 3 361.467 3.292 20 0 FGADHM NC(=O)N1CCc2ccc(NCc3cc([O-])cc(C(F)(F)F)c3)cc21 ZINC000573490993 506203533 /nfs/dbraw/zinc/20/35/33/506203533.db2.gz VNDLOOHZLKYRNJ-UHFFFAOYSA-N -1 3 351.328 3.464 20 0 FGADHM O=C(NCc1cccc(Br)c1)c1c[n-]nc1-c1ccccn1 ZINC000573490802 506203581 /nfs/dbraw/zinc/20/35/81/506203581.db2.gz ZRWSHFOLSMBKRV-UHFFFAOYSA-N -1 3 357.211 3.164 20 0 FGADHM COc1ccc(OC)c([C@H]2CCCN2C(=O)c2cccc(OC)c2[O-])c1 ZINC000436932794 500573200 /nfs/dbraw/zinc/57/32/00/500573200.db2.gz FCPOJSCJCFKLKI-MRXNPFEDSA-N -1 3 357.406 3.395 20 0 FGADHM COc1cccc(C(=O)Nc2cccc(CN3C[C@@H](C)O[C@@H](C)C3)c2)c1[O-] ZINC000436941145 500576200 /nfs/dbraw/zinc/57/62/00/500576200.db2.gz CBEXGFGRFHASKC-GASCZTMLSA-N -1 3 370.449 3.262 20 0 FGADHM COc1cccc(-c2nc(-c3ccc4oc(N(C)C)nc4c3)no2)c1[O-] ZINC000436952221 500577398 /nfs/dbraw/zinc/57/73/98/500577398.db2.gz IKUZAPGATFRRGR-UHFFFAOYSA-N -1 3 352.350 3.325 20 0 FGADHM CC[C@@H]1CC[C@H](C)N1C(=O)C(=O)[N-]c1scc(C2CC2)c1C(=O)OC ZINC000442272131 500577432 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ZINC000433817035 500749411 /nfs/dbraw/zinc/74/94/11/500749411.db2.gz BWRXUHLZTXQFEQ-UHFFFAOYSA-N -1 3 361.872 3.175 20 0 FGADHM COc1ccc(C(C)(C)C[N-]S(=O)(=O)c2sc(C)nc2C)cc1 ZINC000433825655 500750763 /nfs/dbraw/zinc/75/07/63/500750763.db2.gz HJJCYKRWGIGTNA-UHFFFAOYSA-N -1 3 354.497 3.025 20 0 FGADHM COCCN(Cc1cc([O-])ccc1Br)[C@H]1CCCSC1 ZINC000448353069 500751536 /nfs/dbraw/zinc/75/15/36/500751536.db2.gz FSKSDCKEGLNQDA-ZDUSSCGKSA-N -1 3 360.317 3.499 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1cc(Cl)cnc1N)c1nc(C(C)(C)C)cs1 ZINC000443793114 500763956 /nfs/dbraw/zinc/76/39/56/500763956.db2.gz WKFDUMIEEOFYAF-QMMMGPOBSA-N -1 3 374.919 3.111 20 0 FGADHM O=C(N=c1cc(-c2cccc(F)c2)o[n-]1)c1cc(-c2cccnc2)on1 ZINC000448541653 500769704 /nfs/dbraw/zinc/76/97/04/500769704.db2.gz GRHLKNBQPNRBAC-UHFFFAOYSA-N -1 3 350.309 3.205 20 0 FGADHM COCCN(CC[C@H](C(=O)[O-])c1ccccc1)Cc1ccc2c(c1)OCO2 ZINC000570730564 506215600 /nfs/dbraw/zinc/21/56/00/506215600.db2.gz WHOIXFBPDXJCEU-SFHVURJKSA-N -1 3 371.433 3.122 20 0 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/nfs/dbraw/zinc/82/01/15/500820115.db2.gz SRGMIQVFYZEODC-IUCAKERBSA-N -1 3 366.252 3.064 20 0 FGADHM CO[C@H]1C[C@H](NC(=O)c2ccc(C(=O)c3cccc([O-])c3)cc2)C1(C)C ZINC000444244326 500823412 /nfs/dbraw/zinc/82/34/12/500823412.db2.gz MLKJKMRBESXIGV-ROUUACIJSA-N -1 3 353.418 3.167 20 0 FGADHM CCOC(=O)c1cc(C(=O)[N-]c2ccc(OC)cc2C(F)(F)F)on1 ZINC000448752862 500823669 /nfs/dbraw/zinc/82/36/69/500823669.db2.gz OLHUEQJVEQQCDS-UHFFFAOYSA-N -1 3 358.272 3.131 20 0 FGADHM COc1ccccc1-c1nc(NC(=O)C2CC(O)(CCC(C)(C)C)C2)n[n-]1 ZINC000448770717 500829130 /nfs/dbraw/zinc/82/91/30/500829130.db2.gz MRJLXSFSGUBGSF-UHFFFAOYSA-N -1 3 372.469 3.386 20 0 FGADHM COc1nc(NC(=O)c2ccc(-n3ncc4ccccc43)cc2Cl)n[n-]1 ZINC000444341293 500836578 /nfs/dbraw/zinc/83/65/78/500836578.db2.gz KXILDEJYLVCMKT-UHFFFAOYSA-N -1 3 368.784 3.058 20 0 FGADHM COc1nnc(NC(=O)c2ccc(-n3ncc4ccccc43)cc2Cl)[n-]1 ZINC000444341293 500836581 /nfs/dbraw/zinc/83/65/81/500836581.db2.gz KXILDEJYLVCMKT-UHFFFAOYSA-N -1 3 368.784 3.058 20 0 FGADHM COc1n[n-]c(NC(=O)c2ccc(-n3ncc4ccccc43)cc2Cl)n1 ZINC000444341293 500836585 /nfs/dbraw/zinc/83/65/85/500836585.db2.gz KXILDEJYLVCMKT-UHFFFAOYSA-N -1 3 368.784 3.058 20 0 FGADHM C[C@H]1CCN(C(=O)c2c[n-]c3ccc(Br)cc3c2=O)C[C@H]1C ZINC000444352300 500838304 /nfs/dbraw/zinc/83/83/04/500838304.db2.gz NSYVAAFYAHQAJH-WDEREUQCSA-N -1 3 363.255 3.409 20 0 FGADHM CC(C)[C@H]1CCN1C(=O)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O ZINC000444352317 500838492 /nfs/dbraw/zinc/83/84/92/500838492.db2.gz NVSUWXAMHFLXLH-GFCCVEGCSA-N -1 3 354.328 3.297 20 0 FGADHM CCC[C@@]1(CO)CCCN1C(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000444562511 500859424 /nfs/dbraw/zinc/85/94/24/500859424.db2.gz VBVSSMMKEQORER-QFIPXVFZSA-N -1 3 367.445 3.390 20 0 FGADHM CC1(C)CCCN(CCNC(=O)c2ccc(Br)c([O-])c2)C1 ZINC000444618997 500867518 /nfs/dbraw/zinc/86/75/18/500867518.db2.gz KYPWROOMPQLNPG-UHFFFAOYSA-N -1 3 355.276 3.007 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1Br)c1cncs1 ZINC000439202192 500869226 /nfs/dbraw/zinc/86/92/26/500869226.db2.gz LZOQIOSZNNBARS-ZETCQYMHSA-N -1 3 365.249 3.084 20 0 FGADHM CC[C@@H](Cc1ccccc1Br)NC(=O)Cc1cncc([O-])c1 ZINC000582431090 506222330 /nfs/dbraw/zinc/22/23/30/506222330.db2.gz RREQRPDWSMZRHL-AWEZNQCLSA-N -1 3 363.255 3.230 20 0 FGADHM C[C@@H](CN1CCN(C(=O)c2ccccc2[O-])CC1)c1cc(F)cc(F)c1 ZINC000449012485 500896798 /nfs/dbraw/zinc/89/67/98/500896798.db2.gz CZFJGODQNSXHAS-AWEZNQCLSA-N -1 3 360.404 3.232 20 0 FGADHM Cc1ccc(F)c(-c2cc(=NC(=O)c3cccc(CN(C)C)c3)[nH][n-]2)c1 ZINC000444777663 500898536 /nfs/dbraw/zinc/89/85/36/500898536.db2.gz GRNLOTFMWUCGKP-UHFFFAOYSA-N -1 3 352.413 3.260 20 0 FGADHM CCO[C@H](C[N-]S(=O)(=O)c1cc(F)c(C)cc1F)c1ccccc1 ZINC000445001626 500931641 /nfs/dbraw/zinc/93/16/41/500931641.db2.gz RTSIDYOSPAYWNU-MRXNPFEDSA-N -1 3 355.406 3.329 20 0 FGADHM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2cccc(C(C)C)c2)cc1F ZINC000445048130 500937343 /nfs/dbraw/zinc/93/73/43/500937343.db2.gz KKXDZFVIVKVHBS-UHFFFAOYSA-N -1 3 365.426 3.214 20 0 FGADHM COC[C@@H]1CN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])C[C@H](C)O1 ZINC000439934916 500956993 /nfs/dbraw/zinc/95/69/93/500956993.db2.gz LPMPEQLHVGPVAI-LPHOPBHVSA-N -1 3 369.461 3.053 20 0 FGADHM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)CN1C1CC1 ZINC000435428622 500973629 /nfs/dbraw/zinc/97/36/29/500973629.db2.gz RUFWQARDGWOURQ-WCBMZHEXSA-N -1 3 367.273 3.036 20 0 FGADHM CC(C)(C)NC(=O)CC[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000440387589 501002928 /nfs/dbraw/zinc/00/29/28/501002928.db2.gz VJHLPQCBZYQHQV-UHFFFAOYSA-N -1 3 368.886 3.076 20 0 FGADHM COc1ccccc1O[C@H](C)C[N-]S(=O)(=O)c1cc(C)c(F)cc1F ZINC000440400079 501004987 /nfs/dbraw/zinc/00/49/87/501004987.db2.gz UXYYUOOEXOAEDY-GFCCVEGCSA-N -1 3 371.405 3.028 20 0 FGADHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2c(Cl)ccc3ccccc32)CCN1C ZINC000440412146 501006209 /nfs/dbraw/zinc/00/62/09/501006209.db2.gz GTEBLIKXOLXPED-TZMCWYRMSA-N -1 3 352.887 3.254 20 0 FGADHM Cc1c(NC(=O)c2n[n-]nc2-c2ccccc2)cccc1NC(=O)N(C)C ZINC000435910604 501045525 /nfs/dbraw/zinc/04/55/25/501045525.db2.gz FGBYBWYQQNRHAI-UHFFFAOYSA-N -1 3 364.409 3.126 20 0 FGADHM COc1cc(CNCc2cnc(C3CC3)o2)cc(Br)c1[O-] ZINC000449696134 501063931 /nfs/dbraw/zinc/06/39/31/501063931.db2.gz HICAPWPAXLQSOL-UHFFFAOYSA-N -1 3 353.216 3.319 20 0 FGADHM CCOC(=O)c1ccsc1[N-]C(=O)C(=O)N1CCCC[C@H]1CC(C)C ZINC000440964663 501069149 /nfs/dbraw/zinc/06/91/49/501069149.db2.gz YRPVDTFINOYVRW-ZDUSSCGKSA-N -1 3 366.483 3.291 20 0 FGADHM CCCN(CC1CC1)S(=O)(=O)[N-][C@H](C)c1nc(C2CCCCC2)no1 ZINC000436177326 501084531 /nfs/dbraw/zinc/08/45/31/501084531.db2.gz FJWDMQVMQIVHKD-CYBMUJFWSA-N -1 3 370.519 3.135 20 0 FGADHM CC(C)c1n[n-]c(=N[C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)o1 ZINC000450330625 501093003 /nfs/dbraw/zinc/09/30/03/501093003.db2.gz JUTSVOWUFLPWET-CQSZACIVSA-N -1 3 354.376 3.320 20 0 FGADHM CC(=O)c1[n-]c(=N[C@@H]2CCN(c3ccccc3OC(F)F)C2)sc1C ZINC000450339676 501094994 /nfs/dbraw/zinc/09/49/94/501094994.db2.gz RNNNOEFSNXEJKN-GFCCVEGCSA-N -1 3 367.421 3.368 20 0 FGADHM O=C(Cc1ccc([O-])c(F)c1)N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000449914271 501124401 /nfs/dbraw/zinc/12/44/01/501124401.db2.gz PQMSIIWVEMMACZ-HNNXBMFYSA-N -1 3 359.372 3.334 20 0 FGADHM C[C@@H](CS(=O)(=O)[N-]c1ccc(-c2nc[nH]n2)cc1F)c1ccccc1 ZINC000436473797 501134068 /nfs/dbraw/zinc/13/40/68/501134068.db2.gz CFUHAPJSFLKLRL-LBPRGKRZSA-N -1 3 360.414 3.156 20 0 FGADHM COc1ccc(Br)c(CNC(=O)c2cc(C)ccc2[O-])c1 ZINC000436483242 501136172 /nfs/dbraw/zinc/13/61/72/501136172.db2.gz DDOHNHZIVICRLX-UHFFFAOYSA-N -1 3 350.212 3.402 20 0 FGADHM CCOc1ccccc1CN1CCN(C(=O)c2ccc(C)cc2[O-])[C@@H](C)C1 ZINC000441426262 501136736 /nfs/dbraw/zinc/13/67/36/501136736.db2.gz CUGZWZPPPHBERD-KRWDZBQOSA-N -1 3 368.477 3.446 20 0 FGADHM Cc1cc(C)cc([C@H](C)NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])c1 ZINC000436490118 501137996 /nfs/dbraw/zinc/13/79/96/501137996.db2.gz XPHJIGGRZLACOC-QFBILLFUSA-N -1 3 366.461 3.491 20 0 FGADHM Cc1ccc(C(=O)NC2CCN(CCOc3ccc(F)cc3)CC2)c([O-])c1 ZINC000436530916 501148942 /nfs/dbraw/zinc/14/89/42/501148942.db2.gz RJCVIWXMBNSBFW-UHFFFAOYSA-N -1 3 372.440 3.113 20 0 FGADHM CS[C@H]1CN(C(=O)c2cc3ccccc3cc2[O-])C[C@H]1N1CCCC1 ZINC000436536188 501149934 /nfs/dbraw/zinc/14/99/34/501149934.db2.gz PCBYDHNYVMEOOJ-MJGOQNOKSA-N -1 3 356.491 3.197 20 0 FGADHM C[C@@H](F)CCNC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436539945 501151520 /nfs/dbraw/zinc/15/15/20/501151520.db2.gz WZYPOCZLRSEPED-RDTXWAMCSA-N -1 3 358.413 3.118 20 0 FGADHM CCOC(=O)CN(Cc1ccc(F)cc1)C(=O)c1ccc(C)c(C)c1[O-] ZINC000436542457 501151762 /nfs/dbraw/zinc/15/17/62/501151762.db2.gz CHKLAKSNTPPZGS-UHFFFAOYSA-N -1 3 359.397 3.354 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N2CCC[C@H](C(F)(F)F)[C@H]2C)c([O-])c1 ZINC000436549701 501154401 /nfs/dbraw/zinc/15/44/01/501154401.db2.gz VLNNETYNSKJYML-OCCSQVGLSA-N -1 3 372.387 3.010 20 0 FGADHM COc1ccc(C2(CNC(=O)c3ccc(C)c(C)c3[O-])CCOCC2)cc1 ZINC000436548741 501154543 /nfs/dbraw/zinc/15/45/43/501154543.db2.gz USHITJLXGBRIQA-UHFFFAOYSA-N -1 3 369.461 3.496 20 0 FGADHM Cc1ccc(C(=O)Nc2cccc(CN3CCC(O)CC3)c2)c([O-])c1C ZINC000436578585 501161221 /nfs/dbraw/zinc/16/12/21/501161221.db2.gz ROCWCGCCIMELGK-UHFFFAOYSA-N -1 3 354.450 3.218 20 0 FGADHM Cc1ccc(C(=O)NC[C@@H](CO)Cc2c(F)cccc2Cl)c([O-])c1 ZINC000436582751 501161876 /nfs/dbraw/zinc/16/18/76/501161876.db2.gz JGPYPIUBLLQJEO-LBPRGKRZSA-N -1 3 351.805 3.074 20 0 FGADHM CC[C@@H]1Oc2cc([C@H](C)NC(=O)c3cc(C)ccc3[O-])ccc2NC1=O ZINC000436589018 501163781 /nfs/dbraw/zinc/16/37/81/501163781.db2.gz OFTXXTCUSURBNL-SJCJKPOMSA-N -1 3 354.406 3.301 20 0 FGADHM Cc1ccc(C(=O)NCCCOCCOCc2ccccc2)c([O-])c1C ZINC000436594311 501165576 /nfs/dbraw/zinc/16/55/76/501165576.db2.gz DVVDRYFZHNDQFF-UHFFFAOYSA-N -1 3 357.450 3.362 20 0 FGADHM CCOC(=O)C(C)(C)n1cc(NC(=O)c2cc3c(cc2[O-])CCCC3)cn1 ZINC000436595207 501165935 /nfs/dbraw/zinc/16/59/35/501165935.db2.gz IABMVDUEARSEFC-UHFFFAOYSA-N -1 3 371.437 3.018 20 0 FGADHM CC(C)(COc1ncccc1Br)NC(=O)c1ccccc1[O-] ZINC000436604987 501168567 /nfs/dbraw/zinc/16/85/67/501168567.db2.gz OYWIMRYQVKXRDM-UHFFFAOYSA-N -1 3 365.227 3.137 20 0 FGADHM CCn1c(CNC(=O)c2ccccc2[O-])nc2cc(Br)ccc21 ZINC000436611696 501170162 /nfs/dbraw/zinc/17/01/62/501170162.db2.gz VSIKYPHMNIQDQZ-UHFFFAOYSA-N -1 3 374.238 3.454 20 0 FGADHM CC(C)c1ccc(-n2cc([O-])c(C(=O)N[C@@H]3C[C@H](C)N(C4CC4)C3)n2)cc1 ZINC000441773036 501170547 /nfs/dbraw/zinc/17/05/47/501170547.db2.gz DQSVATHNPMTGGW-GOEBONIOSA-N -1 3 368.481 3.056 20 0 FGADHM CC(=O)c1ccc(C(=O)NCCc2ccc(Br)s2)cc1[O-] ZINC000436618126 501170630 /nfs/dbraw/zinc/17/06/30/501170630.db2.gz QEGBCTVEIWOWCP-UHFFFAOYSA-N -1 3 368.252 3.391 20 0 FGADHM Cc1cc(-c2noc([C@@H](C)NC(=O)c3ccc(O)cc3[O-])n2)ccc1F ZINC000436621620 501171850 /nfs/dbraw/zinc/17/18/50/501171850.db2.gz BTZOKHWJDALHAA-SNVBAGLBSA-N -1 3 357.341 3.086 20 0 FGADHM CC(C)(COc1ccc(C(F)(F)F)cn1)NC(=O)c1ccc(O)cc1[O-] ZINC000436629766 501173688 /nfs/dbraw/zinc/17/36/88/501173688.db2.gz KTUDFXYRHDTABY-UHFFFAOYSA-N -1 3 370.327 3.099 20 0 FGADHM Cc1ccc(-c2cc(C(=O)Nc3ccc(N4CCNC4=O)cc3C)n[n-]2)o1 ZINC000441811988 501174234 /nfs/dbraw/zinc/17/42/34/501174234.db2.gz OCUOLKSLZIDZLS-UHFFFAOYSA-N -1 3 365.393 3.068 20 0 FGADHM Cc1ccc(-c2cc(C(=O)Nc3ccc(N4CCNC4=O)cc3C)[n-]n2)o1 ZINC000441811988 501174236 /nfs/dbraw/zinc/17/42/36/501174236.db2.gz OCUOLKSLZIDZLS-UHFFFAOYSA-N -1 3 365.393 3.068 20 0 FGADHM O=C(N[C@H]1CCN(c2ccccc2C(F)(F)F)C1)c1c([O-])cccc1O ZINC000436633625 501174479 /nfs/dbraw/zinc/17/44/79/501174479.db2.gz INCULASWLJMTHR-NSHDSACASA-N -1 3 366.339 3.125 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N[C@H](C)[C@@H](C)c2ccccc2)c([O-])c1 ZINC000436640019 501176488 /nfs/dbraw/zinc/17/64/88/501176488.db2.gz SPTTUAAGFMPTFV-HZPDHXFCSA-N -1 3 354.450 3.129 20 0 FGADHM CCOc1nc2cc(C(=O)N3CCC[C@@H](CC(=O)OC(C)C)C3)ccc2[n-]1 ZINC000450651591 501176935 /nfs/dbraw/zinc/17/69/35/501176935.db2.gz FBZQUSZSDDXPAU-AWEZNQCLSA-N -1 3 373.453 3.156 20 0 FGADHM CCOc1nc2ccc(C(=O)N3CCC[C@@H](CC(=O)OC(C)C)C3)cc2[n-]1 ZINC000450651591 501176938 /nfs/dbraw/zinc/17/69/38/501176938.db2.gz FBZQUSZSDDXPAU-AWEZNQCLSA-N -1 3 373.453 3.156 20 0 FGADHM O=C(Nc1cccc(CN2CC[C@H](O)C2)c1)c1cc2ccccc2cc1[O-] ZINC000436650529 501178734 /nfs/dbraw/zinc/17/87/34/501178734.db2.gz WPSFEFAQNFXING-IBGZPJMESA-N -1 3 362.429 3.364 20 0 FGADHM CC[C@@H](NC(=O)c1cccc(C)c1[O-])[C@H](c1ccc(C)cc1)n1cncn1 ZINC000436649303 501179126 /nfs/dbraw/zinc/17/91/26/501179126.db2.gz OQJIURYPBXHERW-MOPGFXCFSA-N -1 3 364.449 3.399 20 0 FGADHM CC(=O)c1ccc(C(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)cc1[O-] ZINC000436650604 501179170 /nfs/dbraw/zinc/17/91/70/501179170.db2.gz XCJCIZDPOJRBPX-MRXNPFEDSA-N -1 3 366.461 3.331 20 0 FGADHM CCOC(=O)c1sc(NC(=O)c2c([O-])cccc2O)nc1C(C)C ZINC000436649517 501179271 /nfs/dbraw/zinc/17/92/71/501179271.db2.gz VAQAUSFIQFHNRY-UHFFFAOYSA-N -1 3 350.396 3.107 20 0 FGADHM CC(=O)c1ccc(C(=O)N2CC[C@@H](COCc3ccccc3)C2)cc1[O-] ZINC000436653033 501179840 /nfs/dbraw/zinc/17/98/40/501179840.db2.gz BXSCOQLWNRZAER-QGZVFWFLSA-N -1 3 353.418 3.274 20 0 FGADHM C[C@@H]1COCC[C@@H]1CNC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436666610 501182311 /nfs/dbraw/zinc/18/23/11/501182311.db2.gz UQQXORPCYORXFE-NVXWUHKLSA-N -1 3 355.434 3.374 20 0 FGADHM Cc1nc2ccc(NC(=O)CCNC(=O)c3ccc(C)cc3[O-])cc2s1 ZINC000436667716 501182997 /nfs/dbraw/zinc/18/29/97/501182997.db2.gz UXKCZEGDFMWPNQ-UHFFFAOYSA-N -1 3 369.446 3.377 20 0 FGADHM CC1(C)Cc2ccc(C(=O)NCc3cnn(-c4ccccc4)c3)c([O-])c2O1 ZINC000436675223 501185338 /nfs/dbraw/zinc/18/53/38/501185338.db2.gz KDYKMZURAOMRED-UHFFFAOYSA-N -1 3 363.417 3.221 20 0 FGADHM C[C@H](NC(=O)c1cc2c(cc1[O-])CCCC2)c1ccc([S@](C)=O)cc1 ZINC000436689200 501188823 /nfs/dbraw/zinc/18/88/23/501188823.db2.gz WCZMBHGGGMHAOA-CANCMXDXSA-N -1 3 357.475 3.499 20 0 FGADHM CC(C)COc1ccc(CN2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000436693828 501190153 /nfs/dbraw/zinc/19/01/53/501190153.db2.gz DLONBFVBPIZLSQ-UHFFFAOYSA-N -1 3 368.477 3.385 20 0 FGADHM Cc1ccc(Br)cc1-c1n[n-]c(=N[C@@H](C)CN(C)C)s1 ZINC000436704253 501192421 /nfs/dbraw/zinc/19/24/21/501192421.db2.gz JRLLHLXGTVACHL-JTQLQIEISA-N -1 3 355.305 3.060 20 0 FGADHM CCOC(=O)c1cc(C(=O)[N-]c2cccc(-c3noc(C4CC4)n3)c2)on1 ZINC000450148393 501193892 /nfs/dbraw/zinc/19/38/92/501193892.db2.gz ZVLUQSQTHDJRTE-UHFFFAOYSA-N -1 3 368.349 3.031 20 0 FGADHM Cc1oc2ncn(C)c(=O)c2c1C(=O)[N-]c1csnc1-c1ccccc1 ZINC000436720335 501196112 /nfs/dbraw/zinc/19/61/12/501196112.db2.gz SXHMPDASRHQHKD-UHFFFAOYSA-N -1 3 366.402 3.211 20 0 FGADHM CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)c1ccc(Br)cc1[O-] ZINC000447057066 501197992 /nfs/dbraw/zinc/19/79/92/501197992.db2.gz BOTPOOXUORCFNC-UHFFFAOYSA-N -1 3 366.259 3.448 20 0 FGADHM COc1ccc([C@@H](C)NC(=O)c2cc(NC(C)=O)ccc2[O-])c(C)c1OC ZINC000436737415 501200307 /nfs/dbraw/zinc/20/03/07/501200307.db2.gz JBKJSZAGXFZJHI-GFCCVEGCSA-N -1 3 372.421 3.167 20 0 FGADHM CC(C)(C)OC(=O)[C@H](NC(=O)Cc1ccc([O-])c(F)c1)c1ccccc1 ZINC000450185697 501204175 /nfs/dbraw/zinc/20/41/75/501204175.db2.gz SYHIZPSELIKDFA-GOSISDBHSA-N -1 3 359.397 3.273 20 0 FGADHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1CCC(C)(CC)CC1 ZINC000442176409 501205048 /nfs/dbraw/zinc/20/50/48/501205048.db2.gz XFDVCLOPKXKSFQ-UHFFFAOYSA-N -1 3 366.483 3.210 20 0 FGADHM O=C(NCC[C@H]1C(=O)Nc2ccccc21)c1cc2c(cc1[O-])CCCC2 ZINC000436757471 501205574 /nfs/dbraw/zinc/20/55/74/501205574.db2.gz WACCAZCURTWWRP-MRXNPFEDSA-N -1 3 350.418 3.127 20 0 FGADHM COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(C)c(C)c1[O-] ZINC000436756694 501205612 /nfs/dbraw/zinc/20/56/12/501205612.db2.gz DEUOUIJLQDAXOZ-UHFFFAOYSA-N -1 3 359.378 3.065 20 0 FGADHM O=C(Nc1cccc(OCc2nc(-c3ccc([O-])cc3)no2)c1)C1CC1 ZINC000436767668 501207448 /nfs/dbraw/zinc/20/74/48/501207448.db2.gz GXTNVSAWYJCQSG-UHFFFAOYSA-N -1 3 351.362 3.370 20 0 FGADHM O=C(NC1(Cc2ccccc2Br)CC1)c1ccc(O)cc1[O-] ZINC000436792396 501212224 /nfs/dbraw/zinc/21/22/24/501212224.db2.gz NSSSFUFYVICWEV-UHFFFAOYSA-N -1 3 362.223 3.365 20 0 FGADHM O=C(c1cc(Br)ccc1[O-])N1CCCN(CC2CCC2)CC1 ZINC000436798862 501213104 /nfs/dbraw/zinc/21/31/04/501213104.db2.gz WGFBXQLADYKNJF-UHFFFAOYSA-N -1 3 367.287 3.103 20 0 FGADHM CC[C@H](CNC(=O)c1cc(OC)c([O-])c(OC)c1)Oc1cccc(C)c1 ZINC000436808611 501214446 /nfs/dbraw/zinc/21/44/46/501214446.db2.gz METIUILPHVSBDO-OAHLLOKOSA-N -1 3 359.422 3.305 20 0 FGADHM Cc1ccc(C(=O)NCc2ccc(C)nc2-n2cc(Cl)cn2)c([O-])c1 ZINC000436814629 501215332 /nfs/dbraw/zinc/21/53/32/501215332.db2.gz IMEMIOZATAXLKH-UHFFFAOYSA-N -1 3 356.813 3.173 20 0 FGADHM COC(=O)[C@@H]1CN(C(=O)c2ccc(C)cc2[O-])C[C@H]1c1ccc(Cl)cc1 ZINC000436814614 501215590 /nfs/dbraw/zinc/21/55/90/501215590.db2.gz SPWLVORZAWITRW-DLBZAZTESA-N -1 3 373.836 3.383 20 0 FGADHM CC[C@H](CNC(=O)c1cc(OC)c([O-])c(OC)c1)Oc1cccc(F)c1 ZINC000436815178 501215617 /nfs/dbraw/zinc/21/56/17/501215617.db2.gz VADFSCZJBLOFGJ-CQSZACIVSA-N -1 3 363.385 3.136 20 0 FGADHM CCOC(=O)[C@@H](CCOC(C)(C)C)NC(=O)c1ccc(C(C)C)cc1[O-] ZINC000436818867 501216428 /nfs/dbraw/zinc/21/64/28/501216428.db2.gz GHEQHYOZOXKSSF-MRXNPFEDSA-N -1 3 365.470 3.382 20 0 FGADHM COCCN(C(=O)c1cc(Oc2ccccc2)ccc1[O-])[C@@H]1CCO[C@H]1C ZINC000436819141 501216451 /nfs/dbraw/zinc/21/64/51/501216451.db2.gz CQMNSGYWLZAVNY-HNAYVOBHSA-N -1 3 371.433 3.451 20 0 FGADHM COc1cc(Br)ccc1CNC(=O)c1ccc([O-])c(C)c1 ZINC000436823499 501216910 /nfs/dbraw/zinc/21/69/10/501216910.db2.gz BGSMPXSTZMZBJG-UHFFFAOYSA-N -1 3 350.212 3.402 20 0 FGADHM COC(=O)[C@]1(C)CCCN1C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436827349 501217508 /nfs/dbraw/zinc/21/75/08/501217508.db2.gz NNUIGCIVEZZPAO-FQEVSTJZSA-N -1 3 355.390 3.352 20 0 FGADHM CCc1ccc(C(=O)N(Cc2ccccc2)C[C@H](C)C(=O)OC)c([O-])c1 ZINC000436825156 501217674 /nfs/dbraw/zinc/21/76/74/501217674.db2.gz JPJGDKCJVGTIBZ-HNNXBMFYSA-N -1 3 355.434 3.406 20 0 FGADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CCN(c2ccccc2F)CC1 ZINC000436831710 501218655 /nfs/dbraw/zinc/21/86/55/501218655.db2.gz YMWXECQULNGFFN-UHFFFAOYSA-N -1 3 354.425 3.373 20 0 FGADHM CCc1ccc(C(=O)N[C@@H](CO)c2cccc(Br)c2)c([O-])c1 ZINC000436839601 501219548 /nfs/dbraw/zinc/21/95/48/501219548.db2.gz OIKCPXNGVZQEKD-HNNXBMFYSA-N -1 3 364.239 3.181 20 0 FGADHM COC(=O)[C@H](NC(=O)c1cc(C(C)C)cc(C(C)C)c1[O-])c1ccn(C)n1 ZINC000436840490 501219648 /nfs/dbraw/zinc/21/96/48/501219648.db2.gz WUBRHXAJLPNFBN-QGZVFWFLSA-N -1 3 373.453 3.017 20 0 FGADHM CCc1ccc([C@@H](CNC(=O)C(=O)c2ccc([O-])cc2)N(CC)CC)cc1 ZINC000436864900 501223319 /nfs/dbraw/zinc/22/33/19/501223319.db2.gz OWVZBHQABFWMSW-HXUWFJFHSA-N -1 3 368.477 3.337 20 0 FGADHM COc1cc(-c2noc(-c3cc4c(C)nn(C)c4nc3C)n2)ccc1[O-] ZINC000436894769 501229013 /nfs/dbraw/zinc/22/90/13/501229013.db2.gz GUQYBOYBLUHLSS-UHFFFAOYSA-N -1 3 351.366 3.016 20 0 FGADHM Cc1ccc(-c2nnc([C@@H](C)N3CCC(c4n[n-]c(=O)o4)CC3)o2)cc1C ZINC000450920252 501229903 /nfs/dbraw/zinc/22/99/03/501229903.db2.gz VDROTWVMVUHBLS-CYBMUJFWSA-N -1 3 369.425 3.383 20 0 FGADHM CSC[C@@H](CCO)NC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436905131 501230173 /nfs/dbraw/zinc/23/01/73/501230173.db2.gz ZEFTUCBZBIWDDN-QGZVFWFLSA-N -1 3 359.491 3.021 20 0 FGADHM COc1ccccc1[C@H](CNC(=O)c1ccc([O-])c(C)c1)N1CCCC1 ZINC000436904274 501230366 /nfs/dbraw/zinc/23/03/66/501230366.db2.gz WHOREXRBAPTCPU-SFHVURJKSA-N -1 3 354.450 3.276 20 0 FGADHM Cc1csc(S(=O)(=O)[N-]c2ccc(C)cc2OCCN(C)C)c1 ZINC000450967826 501235704 /nfs/dbraw/zinc/23/57/04/501235704.db2.gz IUVZXVJTEVZZMC-UHFFFAOYSA-N -1 3 354.497 3.106 20 0 FGADHM Cc1csc(S(=O)(=O)[N-]Cc2ccc(OCC(F)(F)F)cc2)c1 ZINC000451015122 501239152 /nfs/dbraw/zinc/23/91/52/501239152.db2.gz KSLLOIMLCTWVAJ-UHFFFAOYSA-N -1 3 365.398 3.476 20 0 FGADHM CCOc1ccncc1S(=O)(=O)[N-][C@@H](C)c1ccc(OC(C)C)cc1 ZINC000451072546 501243318 /nfs/dbraw/zinc/24/33/18/501243318.db2.gz XDKRQWVSTYSASX-AWEZNQCLSA-N -1 3 364.467 3.307 20 0 FGADHM Cc1csc(S(=O)(=O)[N-]C[C@H]2CCN(c3ccc(F)cc3)C2)c1 ZINC000451112128 501246601 /nfs/dbraw/zinc/24/66/01/501246601.db2.gz VGMOTGOYQOASGN-CYBMUJFWSA-N -1 3 354.472 3.000 20 0 FGADHM COC[C@H](Cc1ccccc1)[N-]S(=O)(=O)Cc1c(F)cccc1Cl ZINC000451265345 501256168 /nfs/dbraw/zinc/25/61/68/501256168.db2.gz BMVQTMMSIUSDFH-AWEZNQCLSA-N -1 3 371.861 3.156 20 0 FGADHM COC(=O)[C@@H](C)[C@H]([N-]S(=O)(=O)c1sccc1Cl)c1ccccc1 ZINC000451280922 501257224 /nfs/dbraw/zinc/25/72/24/501257224.db2.gz WXXOPFNERMEVGI-GWCFXTLKSA-N -1 3 373.883 3.230 20 0 FGADHM CO[C@H](C)c1nc(C[N-]S(=O)(=O)c2cc3cc(F)ccc3o2)cs1 ZINC000451300164 501259695 /nfs/dbraw/zinc/25/96/95/501259695.db2.gz HOQSQJIVGCARKB-SECBINFHSA-N -1 3 370.427 3.214 20 0 FGADHM CCOC(=O)C1CCC(N(CC)C(=O)Cc2ccc([O-])c(F)c2)CC1 ZINC000451499051 501306896 /nfs/dbraw/zinc/30/68/96/501306896.db2.gz LAYCMJWMZUOAOH-UHFFFAOYSA-N -1 3 351.418 3.044 20 0 FGADHM Cc1noc(C)c1C(C)(C)[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC000451542141 501318517 /nfs/dbraw/zinc/31/85/17/501318517.db2.gz JAYWERJPNDUTMO-UHFFFAOYSA-N -1 3 352.387 3.390 20 0 FGADHM CCC[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1Br)OC ZINC000451639410 501341694 /nfs/dbraw/zinc/34/16/94/501341694.db2.gz LXPCKTRKNTZNPH-SNVBAGLBSA-N -1 3 370.696 3.196 20 0 FGADHM CC(F)(F)CC[N-]S(=O)(=O)c1cnc2onc(-c3ccccc3)c2c1 ZINC000451614441 501336971 /nfs/dbraw/zinc/33/69/71/501336971.db2.gz QNPHULLEESNYBM-UHFFFAOYSA-N -1 3 367.377 3.213 20 0 FGADHM O=C(NC[C@@H]1CCCN(c2ccccc2)C1)c1c[n-]nc1-c1ccccn1 ZINC000582479276 506246987 /nfs/dbraw/zinc/24/69/87/506246987.db2.gz SBWBOAWYKMNKQG-INIZCTEOSA-N -1 3 361.449 3.118 20 0 FGADHM CC[C@H](COCC(F)(F)F)[N-]S(=O)(=O)c1cc(C)c(Cl)s1 ZINC000451647680 501344143 /nfs/dbraw/zinc/34/41/43/501344143.db2.gz NETBEIQLBSMILN-MRVPVSSYSA-N -1 3 365.826 3.346 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2C[C@H]2CC(C)C)c1 ZINC000457986104 501350730 /nfs/dbraw/zinc/35/07/30/501350730.db2.gz FTHPSHROECDMFS-MLGOLLRUSA-N -1 3 357.410 3.105 20 0 FGADHM CC1(C)OCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000451697038 501353959 /nfs/dbraw/zinc/35/39/59/501353959.db2.gz QBSSOHYHMPOXPE-NSHDSACASA-N -1 3 357.781 3.205 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-][C@@H](CCO)c2cccc(C(F)(F)F)c2)o1 ZINC000451733575 501362690 /nfs/dbraw/zinc/36/26/90/501362690.db2.gz VOPAJNBVAIBYHS-ZDUSSCGKSA-N -1 3 363.357 3.009 20 0 FGADHM COCCOc1ccc(F)cc1S(=O)(=O)[N-][C@@H](C)CCC=C(C)C ZINC000451736488 501363105 /nfs/dbraw/zinc/36/31/05/501363105.db2.gz FNOWMVRYFZSPFO-AWEZNQCLSA-N -1 3 359.463 3.264 20 0 FGADHM CC(C)Oc1cccc(NC(=O)NCCCNC(=O)c2cccc([O-])c2)c1 ZINC000455782606 501385416 /nfs/dbraw/zinc/38/54/16/501385416.db2.gz NLMMKLFHAVDNQD-UHFFFAOYSA-N -1 3 371.437 3.121 20 0 FGADHM CCc1cc(=O)[n-]c(CN[C@@](C)(CO)c2cc(Cl)cc(Cl)c2)n1 ZINC000451912198 501399919 /nfs/dbraw/zinc/39/99/19/501399919.db2.gz OUJHCKKXRLIZJF-INIZCTEOSA-N -1 3 356.253 3.049 20 0 FGADHM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H]1C[C@H]1C1CC1 ZINC000452049673 501425099 /nfs/dbraw/zinc/42/50/99/501425099.db2.gz STJCKESYGONIOC-WHOFXGATSA-N -1 3 373.902 3.078 20 0 FGADHM CCOC(=O)c1ccsc1[N-]C(=O)C(=O)N1C[C@@H](C(C)C)[C@@H]1C(C)C ZINC000453962528 501433729 /nfs/dbraw/zinc/43/37/29/501433729.db2.gz WIZJKDRAABCRAX-KBPBESRZSA-N -1 3 366.483 3.002 20 0 FGADHM CCC[C@H](C)C(=O)NCCNC(=O)CCc1ccc2ccccc2c1[O-] ZINC000452134281 501443816 /nfs/dbraw/zinc/44/38/16/501443816.db2.gz KPCIWULKRAMTTD-HNNXBMFYSA-N -1 3 356.466 3.147 20 0 FGADHM CCC(=O)N1CCC[C@H](C(=O)Nc2c([O-])ccc(Br)c2C)C1 ZINC000452747803 501555447 /nfs/dbraw/zinc/55/54/47/501555447.db2.gz ITYGPAZKTWCFSG-NSHDSACASA-N -1 3 369.259 3.050 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NC2(C3(C)CC3)CC2)c1 ZINC000456643817 501565607 /nfs/dbraw/zinc/56/56/07/501565607.db2.gz JLPXPTGSNUYNDP-UHFFFAOYSA-N -1 3 355.394 3.003 20 0 FGADHM CC(C)(C)CC(C)(C)N1CCN(C(=O)c2s[n-]c(=O)c2Cl)CC1 ZINC000456716462 501585111 /nfs/dbraw/zinc/58/51/11/501585111.db2.gz OQGQZHMVKFYQQK-UHFFFAOYSA-N -1 3 359.923 3.475 20 0 FGADHM COCc1ccc(CS(=O)(=O)c2nc(CCC3CCCC3)n[n-]2)cc1 ZINC000453015567 501601736 /nfs/dbraw/zinc/60/17/36/501601736.db2.gz HGMCKTDKRSNBLT-UHFFFAOYSA-N -1 3 363.483 3.048 20 0 FGADHM COCc1ccc(CS(=O)(=O)c2nnc(CCC3CCCC3)[n-]2)cc1 ZINC000453015567 501601738 /nfs/dbraw/zinc/60/17/38/501601738.db2.gz HGMCKTDKRSNBLT-UHFFFAOYSA-N -1 3 363.483 3.048 20 0 FGADHM CC(C)[C@H]([N-]S(C)(=O)=O)C(=O)N(C)c1ccc2c(c1)oc1ccccc12 ZINC000453039611 501606555 /nfs/dbraw/zinc/60/65/55/501606555.db2.gz ILNAYEPTDBWHAH-SFHVURJKSA-N -1 3 374.462 3.123 20 0 FGADHM CC(C)[C@@H]([N-]S(C)(=O)=O)C(=O)N(C)c1ccc2c(c1)oc1ccccc12 ZINC000453039610 501606742 /nfs/dbraw/zinc/60/67/42/501606742.db2.gz ILNAYEPTDBWHAH-GOSISDBHSA-N -1 3 374.462 3.123 20 0 FGADHM CCC[C@H](NC(=O)N1CCN(C(=O)c2cccc([O-])c2)CC1)C1CCCC1 ZINC000459270355 501622651 /nfs/dbraw/zinc/62/26/51/501622651.db2.gz AYBRDVNTQWVMEO-IBGZPJMESA-N -1 3 373.497 3.219 20 0 FGADHM CCCCNC(=O)[C@H]1CCCN(Cc2cccc([O-])c2Br)C1 ZINC000459332903 501632915 /nfs/dbraw/zinc/63/29/15/501632915.db2.gz ZLXIUEHTDXYXSA-AWEZNQCLSA-N -1 3 369.303 3.283 20 0 FGADHM Cc1nc(-c2ccc(NC(=O)N[C@H](C3CC3)C(C)(C)CO)cc2)cc(=O)[n-]1 ZINC000459353046 501637761 /nfs/dbraw/zinc/63/77/61/501637761.db2.gz HZEQOICGIDOAPE-GOSISDBHSA-N -1 3 370.453 3.076 20 0 FGADHM COc1ccc([C@H](CO)N(C)Cc2cccc([O-])c2Br)cc1 ZINC000459354152 501637855 /nfs/dbraw/zinc/63/78/55/501637855.db2.gz RXKSAQSAEVXMLV-HNNXBMFYSA-N -1 3 366.255 3.329 20 0 FGADHM Cc1cccc([C@@H](C)NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])c1 ZINC000457041628 501639417 /nfs/dbraw/zinc/63/94/17/501639417.db2.gz FRHFXNJBRFPNIM-CRAIPNDOSA-N -1 3 352.434 3.183 20 0 FGADHM C[C@H]1CN(Cc2cccc([O-])c2Br)CCN1CC(F)(F)F ZINC000459371722 501641122 /nfs/dbraw/zinc/64/11/22/501641122.db2.gz YRGQAGMTSYLPLM-JTQLQIEISA-N -1 3 367.209 3.223 20 0 FGADHM [O-]c1cccc(CNCCOc2ccc3c(c2)OCO3)c1Br ZINC000459373062 501642030 /nfs/dbraw/zinc/64/20/30/501642030.db2.gz MFACQLUSXAJJPD-UHFFFAOYSA-N -1 3 366.211 3.052 20 0 FGADHM CC(C)C1(NC(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)CC1 ZINC000454861656 501645257 /nfs/dbraw/zinc/64/52/57/501645257.db2.gz WQOHPAFCHKDBFG-UHFFFAOYSA-N -1 3 371.478 3.213 20 0 FGADHM CC(C)[C@@H]1C[C@H]1NC(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000459423249 501651544 /nfs/dbraw/zinc/65/15/44/501651544.db2.gz ZIQXQSDQUXGRKL-GXTWGEPZSA-N -1 3 371.478 3.069 20 0 FGADHM CCOc1cc(CN[C@@H](CC(=O)NC)c2ccccc2)cc(Cl)c1[O-] ZINC000459504625 501665637 /nfs/dbraw/zinc/66/56/37/501665637.db2.gz DAWLVTVDACYWHR-INIZCTEOSA-N -1 3 362.857 3.411 20 0 FGADHM CN(C(=O)N=c1cc(OC(F)F)n(C)[n-]1)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000459504479 501665664 /nfs/dbraw/zinc/66/56/64/501665664.db2.gz ISCVMTJEWZLMMM-UONOGXRCSA-N -1 3 364.396 3.243 20 0 FGADHM Cn1cc([C@@H]2CSCCN2Cc2cccc([O-])c2Br)cn1 ZINC000459516528 501667919 /nfs/dbraw/zinc/66/79/19/501667919.db2.gz HTUPKPAJRKYPHV-ZDUSSCGKSA-N -1 3 368.300 3.178 20 0 FGADHM CCOc1cc(CN2CCN(CC)[C@@H](c3ncc[nH]3)C2)cc(Cl)c1[O-] ZINC000459534005 501671405 /nfs/dbraw/zinc/67/14/05/501671405.db2.gz UADSKYOKVSLVDN-OAHLLOKOSA-N -1 3 364.877 3.046 20 0 FGADHM CCOc1cc(CN2CCC[C@@H](c3ccnc(N)n3)C2)cc(Cl)c1[O-] ZINC000459543537 501673161 /nfs/dbraw/zinc/67/31/61/501673161.db2.gz MNRHBSUFAWRTJL-CYBMUJFWSA-N -1 3 362.861 3.026 20 0 FGADHM CCOc1cc(CN2CCN(c3ccc(F)cn3)CC2)cc(Cl)c1[O-] ZINC000459555930 501676004 /nfs/dbraw/zinc/67/60/04/501676004.db2.gz GYQPDEVHNOPLGV-UHFFFAOYSA-N -1 3 365.836 3.301 20 0 FGADHM Cn1ccnc1[C@@H]1N(Cc2cccc([O-])c2Br)CC1(C)C ZINC000459563947 501677793 /nfs/dbraw/zinc/67/77/93/501677793.db2.gz HRTGBJLMRKOOOZ-AWEZNQCLSA-N -1 3 350.260 3.471 20 0 FGADHM CC[C@H](C)[C@@H](CNC(=O)NCc1ccc([O-])c(Br)c1)OC ZINC000455221722 501710591 /nfs/dbraw/zinc/71/05/91/501710591.db2.gz KCTQZESHKYTYNX-IINYFYTJSA-N -1 3 359.264 3.015 20 0 FGADHM COC[C@@H]([N-]S(=O)(=O)Cc1cc(Cl)ccc1OC)c1ccc(C)o1 ZINC000474187761 501737365 /nfs/dbraw/zinc/73/73/65/501737365.db2.gz FBJPQVYBHPTLBG-CQSZACIVSA-N -1 3 373.858 3.057 20 0 FGADHM COc1nnc(NC(=O)c2ccc(Sc3ccc(Cl)cc3)o2)[n-]1 ZINC000477620053 501740578 /nfs/dbraw/zinc/74/05/78/501740578.db2.gz DVYFVDOFHLDQGI-UHFFFAOYSA-N -1 3 350.787 3.463 20 0 FGADHM COc1n[n-]c(NC(=O)c2ccc(Sc3ccc(Cl)cc3)o2)n1 ZINC000477620053 501740583 /nfs/dbraw/zinc/74/05/83/501740583.db2.gz DVYFVDOFHLDQGI-UHFFFAOYSA-N -1 3 350.787 3.463 20 0 FGADHM COc1nc(NC(=O)c2ccc(Sc3ccc(Cl)cc3)o2)n[n-]1 ZINC000477620053 501740587 /nfs/dbraw/zinc/74/05/87/501740587.db2.gz DVYFVDOFHLDQGI-UHFFFAOYSA-N -1 3 350.787 3.463 20 0 FGADHM CCn1cnc(S(=O)(=O)[N-][C@H](C)c2ccc(-c3cccnc3)cc2)c1 ZINC000474208333 501744734 /nfs/dbraw/zinc/74/47/34/501744734.db2.gz HBPJAGSNMXEEML-CQSZACIVSA-N -1 3 356.451 3.005 20 0 FGADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCC[C@@H](C(C)(C)C)CC2)c(C)o1 ZINC000474266436 501767615 /nfs/dbraw/zinc/76/76/15/501767615.db2.gz JXPKGWGZVQGNQP-ZIAGYGMSSA-N -1 3 370.515 3.221 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)c(Br)c1 ZINC000463611937 501774427 /nfs/dbraw/zinc/77/44/27/501774427.db2.gz IGEAYJLVFRRYIB-UHFFFAOYSA-N -1 3 362.162 3.021 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)c(Br)c1 ZINC000463611937 501774433 /nfs/dbraw/zinc/77/44/33/501774433.db2.gz IGEAYJLVFRRYIB-UHFFFAOYSA-N -1 3 362.162 3.021 20 0 FGADHM Cc1cc(C(=O)N2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)[n-]c(=O)n1 ZINC000470716313 501779402 /nfs/dbraw/zinc/77/94/02/501779402.db2.gz ZFOKVQUDGDUOHG-NSHDSACASA-N -1 3 368.220 3.091 20 0 FGADHM CC(C)CCC[C@H](C)NS(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000470771454 501797210 /nfs/dbraw/zinc/79/72/10/501797210.db2.gz FMXTWDUTMGVUKP-NSHDSACASA-N -1 3 371.894 3.013 20 0 FGADHM CC(C)CCC[C@H](C)NS(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000470771454 501797214 /nfs/dbraw/zinc/79/72/14/501797214.db2.gz FMXTWDUTMGVUKP-NSHDSACASA-N -1 3 371.894 3.013 20 0 FGADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCO[C@@H](COc2ccccc2)C1 ZINC000481535017 501805531 /nfs/dbraw/zinc/80/55/31/501805531.db2.gz UUWXIZLGDOFGSB-GOSISDBHSA-N -1 3 373.424 3.160 20 0 FGADHM CC[C@H]1CN(C(=O)CNC(=O)c2cccc([O-])c2)CC[C@H]1c1ccccc1 ZINC000485401030 501811246 /nfs/dbraw/zinc/81/12/46/501811246.db2.gz DGLDCHCQQIFEGR-OXJNMPFZSA-N -1 3 366.461 3.164 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)N[C@@H](CO)c1c(Cl)cccc1Cl ZINC000474382318 501814950 /nfs/dbraw/zinc/81/49/50/501814950.db2.gz QNVDQFGJKHLXOZ-ZDUSSCGKSA-N -1 3 373.211 3.371 20 0 FGADHM COC(=O)[C@@](C)(CNC(=O)CCCc1ccc([O-])c(F)c1)c1ccccc1 ZINC000470885183 501842746 /nfs/dbraw/zinc/84/27/46/501842746.db2.gz YMAOIENQQKMMQX-NRFANRHFSA-N -1 3 373.424 3.101 20 0 FGADHM CCc1ccc([O-])c(C(=O)Nc2ccc(O[C@@H]3CCN(C)C3=O)cc2C)c1 ZINC000467693507 501847154 /nfs/dbraw/zinc/84/71/54/501847154.db2.gz XEXQXNLGGCHVQT-LJQANCHMSA-N -1 3 368.433 3.125 20 0 FGADHM O=S(=O)([N-]Cc1nccn1-c1ccccc1)c1cc(F)cc(Cl)c1 ZINC000460590107 501869624 /nfs/dbraw/zinc/86/96/24/501869624.db2.gz JCQWLLRPVUVTIV-UHFFFAOYSA-N -1 3 365.817 3.143 20 0 FGADHM COc1cccc2c1n[n-]c2C(=O)Nc1ccccc1NC(=O)NC(C)C ZINC000485599531 501873996 /nfs/dbraw/zinc/87/39/96/501873996.db2.gz ZHEMPWRSAXUSLH-UHFFFAOYSA-N -1 3 367.409 3.354 20 0 FGADHM COc1cccc2c(C(=O)Nc3ccccc3NC(=O)NC(C)C)n[n-]c21 ZINC000485599531 501874001 /nfs/dbraw/zinc/87/40/01/501874001.db2.gz ZHEMPWRSAXUSLH-UHFFFAOYSA-N -1 3 367.409 3.354 20 0 FGADHM COC(=O)c1cc(F)cc([N-]C(=O)c2ncccc2OC(C)C)c1F ZINC000478086002 501877017 /nfs/dbraw/zinc/87/70/17/501877017.db2.gz PFAJCIMYQNAKJQ-UHFFFAOYSA-N -1 3 350.321 3.186 20 0 FGADHM O=C(N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1)c1cc2ccccc2c(=O)[nH]1 ZINC000467804762 501879190 /nfs/dbraw/zinc/87/91/90/501879190.db2.gz ISFCRXRJSAEFIH-UHFFFAOYSA-N -1 3 366.327 3.283 20 0 FGADHM Cc1ccc(F)c(S(=O)(=O)[N-][C@H](C)[C@@H](c2ccccc2)N(C)C)c1 ZINC000474572275 501881008 /nfs/dbraw/zinc/88/10/08/501881008.db2.gz CSVNMBYGXZBVOF-KDOFPFPSSA-N -1 3 350.459 3.104 20 0 FGADHM COc1cc(C(=O)NC[C@H](C)Oc2cccc(Cl)c2)cc(OC)c1[O-] ZINC000485628768 501881027 /nfs/dbraw/zinc/88/10/27/501881027.db2.gz QMSJMAUITWGIRB-NSHDSACASA-N -1 3 365.813 3.260 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)[C@H](c1ccccc1)N(C)C ZINC000474582639 501884187 /nfs/dbraw/zinc/88/41/87/501884187.db2.gz YLSDNUGDPGCGPK-SJKOYZFVSA-N -1 3 370.877 3.449 20 0 FGADHM C[C@@H](C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)C(F)(F)F ZINC000464069556 501888768 /nfs/dbraw/zinc/88/87/68/501888768.db2.gz ZJMKDLNSDZJLMS-QMMMGPOBSA-N -1 3 370.368 3.039 20 0 FGADHM CN(Cc1ccccc1)[C@H](CNC(=O)CC1(CC(=O)[O-])CCCC1)C1CC1 ZINC000478163270 501897950 /nfs/dbraw/zinc/89/79/50/501897950.db2.gz MRBBAIUGQFAAHY-LJQANCHMSA-N -1 3 372.509 3.438 20 0 FGADHM CC(C)[C@H](SCc1ccccc1)C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000481926173 501919985 /nfs/dbraw/zinc/91/99/85/501919985.db2.gz WOESFJCTAHTNJC-ZDUSSCGKSA-N -1 3 372.416 3.398 20 0 FGADHM CC(C)[C@H](SCc1ccccc1)C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000481926173 501919990 /nfs/dbraw/zinc/91/99/90/501919990.db2.gz WOESFJCTAHTNJC-ZDUSSCGKSA-N -1 3 372.416 3.398 20 0 FGADHM CC(C)[C@H](SCc1ccccc1)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000481926173 501919994 /nfs/dbraw/zinc/91/99/94/501919994.db2.gz WOESFJCTAHTNJC-ZDUSSCGKSA-N -1 3 372.416 3.398 20 0 FGADHM COC(=O)c1sccc1[N-]C(=O)c1nc(C)sc1Br ZINC000485747644 501923279 /nfs/dbraw/zinc/92/32/79/501923279.db2.gz XMTIQGVHMRNETD-UHFFFAOYSA-N -1 3 361.242 3.314 20 0 FGADHM Cc1ccc([C@@H]2CCN(C(=O)N=c3cc(OC(F)F)n(C)[n-]3)C2)c(C)c1 ZINC000467998747 501925484 /nfs/dbraw/zinc/92/54/84/501925484.db2.gz RRIMTTBVYZSUOG-CYBMUJFWSA-N -1 3 364.396 3.082 20 0 FGADHM O=S(=O)([N-]c1ccc(OCC(F)F)cc1)c1ccc2c(c1)COC2 ZINC000481951571 501927602 /nfs/dbraw/zinc/92/76/02/501927602.db2.gz GOGUZTQQOWWGNL-UHFFFAOYSA-N -1 3 355.362 3.162 20 0 FGADHM Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NC(=O)c1cnn[n-]1 ZINC000464230872 501928788 /nfs/dbraw/zinc/92/87/88/501928788.db2.gz PUJSWHUIKMQMAF-UHFFFAOYSA-N -1 3 355.785 3.271 20 0 FGADHM Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NC(=O)c1c[n-]nn1 ZINC000464230872 501928795 /nfs/dbraw/zinc/92/87/95/501928795.db2.gz PUJSWHUIKMQMAF-UHFFFAOYSA-N -1 3 355.785 3.271 20 0 FGADHM Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NC(=O)c1cn[n-]n1 ZINC000464230872 501928801 /nfs/dbraw/zinc/92/88/01/501928801.db2.gz PUJSWHUIKMQMAF-UHFFFAOYSA-N -1 3 355.785 3.271 20 0 FGADHM Cc1ccccc1[C@H](NC(=O)CNC(=O)c1cccc([O-])c1)C(C)(C)C ZINC000474724814 501934153 /nfs/dbraw/zinc/93/41/53/501934153.db2.gz AMMNLSWJBULVQC-IBGZPJMESA-N -1 3 354.450 3.334 20 0 FGADHM COC(=O)c1cc(C2CCN(Cc3cccc([O-])c3Cl)CC2)no1 ZINC000602747714 506283464 /nfs/dbraw/zinc/28/34/64/506283464.db2.gz OSFWVLKTECSTPS-UHFFFAOYSA-N -1 3 350.802 3.200 20 0 FGADHM O=C(NCc1ncccc1[O-])Nc1cccc(OCc2cccnc2)c1 ZINC000471213775 501957390 /nfs/dbraw/zinc/95/73/90/501957390.db2.gz URWVORBZTOJSJU-UHFFFAOYSA-N -1 3 350.378 3.083 20 0 FGADHM O=C(CCCc1ccc([O-])c(F)c1)Nc1cccc(C(=O)NC2CC2)c1 ZINC000471249426 501967495 /nfs/dbraw/zinc/96/74/95/501967495.db2.gz IADBXFCMUJSEDQ-UHFFFAOYSA-N -1 3 356.397 3.385 20 0 FGADHM CCc1ncc(S(=O)(=O)[N-]Cc2cccc(COC(C)(C)C)c2)s1 ZINC000460958079 501970994 /nfs/dbraw/zinc/97/09/94/501970994.db2.gz MASNJEHIAIOOJG-UHFFFAOYSA-N -1 3 368.524 3.499 20 0 FGADHM CCc1ncc(S(=O)(=O)[N-][C@H](C)c2nc(C3CCCCC3)no2)s1 ZINC000460965758 501972922 /nfs/dbraw/zinc/97/29/22/501972922.db2.gz FWJXLFCHRVHAQM-SNVBAGLBSA-N -1 3 370.500 3.176 20 0 FGADHM COc1cc(C(=O)N[C@H](CO)c2c(Cl)cccc2Cl)ccc1[O-] ZINC000478438439 501982497 /nfs/dbraw/zinc/98/24/97/501982497.db2.gz YKKJXEIJQOFNJM-GFCCVEGCSA-N -1 3 356.205 3.171 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-][C@H](c1ccc(F)cc1)[C@H]1CCCO1 ZINC000471300458 501983744 /nfs/dbraw/zinc/98/37/44/501983744.db2.gz JBAXGOALALIOCP-UKRRQHHQSA-N -1 3 371.455 3.094 20 0 FGADHM C[C@H](C[N-]S(=O)(=O)c1c(F)cccc1Cl)N(C)Cc1ccccc1 ZINC000464423611 501985114 /nfs/dbraw/zinc/98/51/14/501985114.db2.gz VGWKCFMFUPFXKA-CYBMUJFWSA-N -1 3 370.877 3.278 20 0 FGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)N1CC2(C1)CCCCC2 ZINC000482143170 501988394 /nfs/dbraw/zinc/98/83/94/501988394.db2.gz QULYDOXOPDZSEY-UHFFFAOYSA-N -1 3 363.259 3.317 20 0 FGADHM O=C(CNC(=O)c1cccc([O-])c1)Nc1ccccc1CCC(F)(F)F ZINC000471357798 501997502 /nfs/dbraw/zinc/99/75/02/501997502.db2.gz QIJKDAYGIAXGJI-UHFFFAOYSA-N -1 3 366.339 3.256 20 0 FGADHM CC(C)c1ccccc1OCCC(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000482228572 502013070 /nfs/dbraw/zinc/01/30/70/502013070.db2.gz KOCNFZCAWUHAHG-UHFFFAOYSA-N -1 3 356.348 3.032 20 0 FGADHM CC(C)c1ccccc1OCCC(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000482228572 502013073 /nfs/dbraw/zinc/01/30/73/502013073.db2.gz KOCNFZCAWUHAHG-UHFFFAOYSA-N -1 3 356.348 3.032 20 0 FGADHM CC(C)c1ccccc1OCCC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000482228572 502013077 /nfs/dbraw/zinc/01/30/77/502013077.db2.gz KOCNFZCAWUHAHG-UHFFFAOYSA-N -1 3 356.348 3.032 20 0 FGADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)c1ccccc1Cc1ccccc1 ZINC000482227764 502013111 /nfs/dbraw/zinc/01/31/11/502013111.db2.gz HUFLTEZPWDRWIB-UHFFFAOYSA-N -1 3 360.339 3.344 20 0 FGADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)c1ccccc1Cc1ccccc1 ZINC000482227764 502013113 /nfs/dbraw/zinc/01/31/13/502013113.db2.gz HUFLTEZPWDRWIB-UHFFFAOYSA-N -1 3 360.339 3.344 20 0 FGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1ccccc1Cc1ccccc1 ZINC000482227764 502013116 /nfs/dbraw/zinc/01/31/16/502013116.db2.gz HUFLTEZPWDRWIB-UHFFFAOYSA-N -1 3 360.339 3.344 20 0 FGADHM C[C@@H](NC(=O)CNC(=O)c1cccc([O-])c1)c1ccc(C(F)(F)F)cc1 ZINC000471408524 502016889 /nfs/dbraw/zinc/01/68/89/502016889.db2.gz CYKUTMCIBJSNAK-LLVKDONJSA-N -1 3 366.339 3.018 20 0 FGADHM C[C@@H]1[C@@H](C)CCCN1C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482242239 502017279 /nfs/dbraw/zinc/01/72/79/502017279.db2.gz OKJXGNCBMZPPMU-WDEREUQCSA-N -1 3 351.248 3.171 20 0 FGADHM CCc1cc(C(=O)NCC(C)(C)c2ccc3c(c2)OCCO3)ccc1[O-] ZINC000486008302 502017409 /nfs/dbraw/zinc/01/74/09/502017409.db2.gz VQTHJRNLNQWVGE-UHFFFAOYSA-N -1 3 355.434 3.433 20 0 FGADHM O=C(CCCc1nc2ccccc2s1)NCc1nnc(C(F)(F)F)[n-]1 ZINC000482244419 502018780 /nfs/dbraw/zinc/01/87/80/502018780.db2.gz NNHXNVHXRAARRP-UHFFFAOYSA-N -1 3 369.372 3.072 20 0 FGADHM O=C(CCCc1nc2ccccc2s1)NCc1n[n-]c(C(F)(F)F)n1 ZINC000482244419 502018783 /nfs/dbraw/zinc/01/87/83/502018783.db2.gz NNHXNVHXRAARRP-UHFFFAOYSA-N -1 3 369.372 3.072 20 0 FGADHM O=C(CCCc1nc2ccccc2s1)NCc1nc(C(F)(F)F)n[n-]1 ZINC000482244419 502018787 /nfs/dbraw/zinc/01/87/87/502018787.db2.gz NNHXNVHXRAARRP-UHFFFAOYSA-N -1 3 369.372 3.072 20 0 FGADHM Cc1csc(C(=O)Nc2ccc(F)c([N-]S(C)(=O)=O)c2)c1Cl ZINC000478578234 502023682 /nfs/dbraw/zinc/02/36/82/502023682.db2.gz YCMZXSQTWWQHNF-UHFFFAOYSA-N -1 3 362.835 3.473 20 0 FGADHM CC1(C)CCCc2sc([N-]C(=O)c3ccc(S(C)(=O)=O)o3)nc21 ZINC000461218232 502042905 /nfs/dbraw/zinc/04/29/05/502042905.db2.gz JFXDDUWUKSUTHT-UHFFFAOYSA-N -1 3 354.453 3.006 20 0 FGADHM COCCC1(C[N-]S(=O)(=O)c2cc(Cl)ccc2OC)CCCC1 ZINC000486088242 502043420 /nfs/dbraw/zinc/04/34/20/502043420.db2.gz OKQWFJYRLXDYMW-UHFFFAOYSA-N -1 3 361.891 3.224 20 0 FGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]C1(Cc2ccccc2)CC1 ZINC000486100941 502047205 /nfs/dbraw/zinc/04/72/05/502047205.db2.gz XPNHQOQHXGLFDH-UHFFFAOYSA-N -1 3 351.855 3.402 20 0 FGADHM O=C(Cc1ccc(Br)cc1[O-])NCCC[C@@H]1CCCC[C@@H]1O ZINC000482414472 502062744 /nfs/dbraw/zinc/06/27/44/502062744.db2.gz MRPUYTQYFPMERU-WFASDCNBSA-N -1 3 370.287 3.145 20 0 FGADHM C[C@@H]1CCCCN1C(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000471581917 502073621 /nfs/dbraw/zinc/07/36/21/502073621.db2.gz LBLBSWIOSPLEHS-SNVBAGLBSA-N -1 3 364.389 3.092 20 0 FGADHM COc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCCO[C@@H]2CC(C)C)c1 ZINC000478764166 502079169 /nfs/dbraw/zinc/07/91/69/502079169.db2.gz WRFZXPFGRFWYSR-HUUCEWRRSA-N -1 3 361.891 3.221 20 0 FGADHM Cc1nc(C)c(CC(=O)Nc2ccc(OC3CCCC3)c(F)c2)c(=O)[n-]1 ZINC000461362983 502083129 /nfs/dbraw/zinc/08/31/29/502083129.db2.gz MLGFZLISDZKWBF-UHFFFAOYSA-N -1 3 359.401 3.441 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)c1cscn1 ZINC000582557274 506293586 /nfs/dbraw/zinc/29/35/86/506293586.db2.gz LPXZZZRYYUZNOJ-SSDOTTSWSA-N -1 3 370.349 3.220 20 0 FGADHM C[C@@H](C(=O)Nc1cc(F)ccc1[O-])[C@@H](C)C(=O)Nc1cc(F)ccc1O ZINC000478865346 502106665 /nfs/dbraw/zinc/10/66/65/502106665.db2.gz JXLZRVCXOAZDTC-NXEZZACHSA-N -1 3 364.348 3.225 20 0 FGADHM CO[C@]1(C)C[C@@H](NC(=O)NCc2ccc([O-])c(Br)c2)C1(C)C ZINC000482566015 502112513 /nfs/dbraw/zinc/11/25/13/502112513.db2.gz PBUDNQGJXLLXBE-CZUORRHYSA-N -1 3 371.275 3.158 20 0 FGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]CCc1cccc(F)c1F ZINC000486291658 502113194 /nfs/dbraw/zinc/11/31/94/502113194.db2.gz IJAFGVPXFZTHBA-UHFFFAOYSA-N -1 3 361.797 3.148 20 0 FGADHM CN(C)[C@H](CNC(=O)CCCc1ccc([O-])c(F)c1)c1cccc(F)c1 ZINC000468584025 502114463 /nfs/dbraw/zinc/11/44/63/502114463.db2.gz GUPVDKMPXNNCPQ-GOSISDBHSA-N -1 3 362.420 3.412 20 0 FGADHM CCCCCn1nc(C)cc1NC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000482591587 502119576 /nfs/dbraw/zinc/11/95/76/502119576.db2.gz HROMSYZZQYORIC-UHFFFAOYSA-N -1 3 364.471 3.006 20 0 FGADHM COc1cc([C@@H](C)NC(=O)c2csc(=O)[n-]2)ccc1OCC(C)C ZINC000471727637 502120551 /nfs/dbraw/zinc/12/05/51/502120551.db2.gz PGZPLJGYOWVOHY-LLVKDONJSA-N -1 3 350.440 3.383 20 0 FGADHM Cc1cc(Br)cc(C)c1CNC(=O)c1ccc2n[n-]nc2c1 ZINC000478931083 502124290 /nfs/dbraw/zinc/12/42/90/502124290.db2.gz KZTMGXRDQQZIAN-UHFFFAOYSA-N -1 3 359.227 3.267 20 0 FGADHM C[N-]S(=O)(=O)c1cc(NC(=O)N[C@H]2CCCC[C@@H]2C(C)C)ccc1F ZINC000486342651 502127228 /nfs/dbraw/zinc/12/72/28/502127228.db2.gz HQBLEPJXRVIXQN-HIFRSBDPSA-N -1 3 371.478 3.070 20 0 FGADHM CCC[C@@H](C)[C@H]1CCCN1C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C)c1 ZINC000486344456 502128093 /nfs/dbraw/zinc/12/80/93/502128093.db2.gz LAQVSJODZRWIHI-IUODEOHRSA-N -1 3 371.478 3.166 20 0 FGADHM COc1ccc(C(=O)N(C)C)cc1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000468625936 502129401 /nfs/dbraw/zinc/12/94/01/502129401.db2.gz XKNALKCUDZHXLK-UHFFFAOYSA-N -1 3 374.412 3.203 20 0 FGADHM COc1cccc2c(C(=O)Nc3ccc(Cl)cc3NC(C)=O)[n-]nc21 ZINC000486374245 502136584 /nfs/dbraw/zinc/13/65/84/502136584.db2.gz ZYMZCAWFFFITIQ-UHFFFAOYSA-N -1 3 358.785 3.436 20 0 FGADHM COc1cccc2c(C(=O)Nc3ccc(Cl)cc3NC(C)=O)n[n-]c21 ZINC000486374245 502136588 /nfs/dbraw/zinc/13/65/88/502136588.db2.gz ZYMZCAWFFFITIQ-UHFFFAOYSA-N -1 3 358.785 3.436 20 0 FGADHM C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)NCc1ncccc1[O-] ZINC000475332495 502137809 /nfs/dbraw/zinc/13/78/09/502137809.db2.gz HHUTVJYGFVOMTG-LLVKDONJSA-N -1 3 353.344 3.313 20 0 FGADHM O=C(NCc1ncccc1[O-])N[C@H]1CCc2c1cccc2Br ZINC000471804142 502141085 /nfs/dbraw/zinc/14/10/85/502141085.db2.gz KWELRLTZLHRZHA-ZDUSSCGKSA-N -1 3 362.227 3.036 20 0 FGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@@H](C)CC(C)(C)C)cc1OC ZINC000475383600 502155300 /nfs/dbraw/zinc/15/53/00/502155300.db2.gz NBMMAEZQRGKGSE-LBPRGKRZSA-N -1 3 356.488 3.468 20 0 FGADHM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)Nc2cccc(CN(C)C)c2)n1 ZINC000468732027 502163114 /nfs/dbraw/zinc/16/31/14/502163114.db2.gz FECVWJBWJZZWPV-UHFFFAOYSA-N -1 3 368.412 3.339 20 0 FGADHM CCCCC[C@@H]1CCCN1C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C)c1 ZINC000486491032 502169545 /nfs/dbraw/zinc/16/95/45/502169545.db2.gz RKGOTVZPHKWGQL-CQSZACIVSA-N -1 3 371.478 3.310 20 0 FGADHM CC[C@H](NC(=O)NCc1nnc(C(F)(F)F)[n-]1)c1cccc(Cl)c1 ZINC000482761957 502173617 /nfs/dbraw/zinc/17/36/17/502173617.db2.gz VMNWPEFQZXARGM-JTQLQIEISA-N -1 3 361.755 3.427 20 0 FGADHM CC[C@H](NC(=O)NCc1n[n-]c(C(F)(F)F)n1)c1cccc(Cl)c1 ZINC000482761957 502173622 /nfs/dbraw/zinc/17/36/22/502173622.db2.gz VMNWPEFQZXARGM-JTQLQIEISA-N -1 3 361.755 3.427 20 0 FGADHM CC[C@H](NC(=O)NCc1nc(C(F)(F)F)n[n-]1)c1cccc(Cl)c1 ZINC000482761957 502173626 /nfs/dbraw/zinc/17/36/26/502173626.db2.gz VMNWPEFQZXARGM-JTQLQIEISA-N -1 3 361.755 3.427 20 0 FGADHM C[C@H]1CCN(C(=O)CSCC(=O)OC(C)(C)C)c2c([O-])cccc21 ZINC000468781014 502181338 /nfs/dbraw/zinc/18/13/38/502181338.db2.gz BCZPJYJLHHDOAY-LBPRGKRZSA-N -1 3 351.468 3.307 20 0 FGADHM O=S(=O)(Cc1cc(Cl)ccc1F)[N-]c1nc2cc(F)ccc2[nH]1 ZINC000486547824 502185933 /nfs/dbraw/zinc/18/59/33/502185933.db2.gz JRXBYPSZXAKSMX-UHFFFAOYSA-N -1 3 357.769 3.436 20 0 FGADHM CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000468802965 502188413 /nfs/dbraw/zinc/18/84/13/502188413.db2.gz CMJCWBSFLOSCCU-OWWKKJFISA-N -1 3 355.475 3.050 20 0 FGADHM C[C@H](CC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000479203152 502191735 /nfs/dbraw/zinc/19/17/35/502191735.db2.gz GBUGDFSDJZJULP-SECBINFHSA-N -1 3 368.282 3.392 20 0 FGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1C[C@H]1Cc1ccccc1 ZINC000486586224 502199997 /nfs/dbraw/zinc/19/99/97/502199997.db2.gz NSWSMUXWBPBWEL-UKRRQHHQSA-N -1 3 351.855 3.258 20 0 FGADHM O=S(=O)([N-]C[C@@H](CO)CC1CCCC1)c1c(Cl)cccc1Cl ZINC000461796178 502204769 /nfs/dbraw/zinc/20/47/69/502204769.db2.gz NPUPAHCUAQLYPP-LBPRGKRZSA-N -1 3 366.310 3.461 20 0 FGADHM CCN(C(=O)c1cc(=O)c2ccccc2[n-]1)[C@@H](COC)Cc1ccccc1 ZINC000472042337 502208488 /nfs/dbraw/zinc/20/84/88/502208488.db2.gz QMBAMRVFDMUKBQ-QGZVFWFLSA-N -1 3 364.445 3.248 20 0 FGADHM C[C@@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000461810579 502209601 /nfs/dbraw/zinc/20/96/01/502209601.db2.gz GSFKZPIDHAGGDS-NXEZZACHSA-N -1 3 350.253 3.303 20 0 FGADHM CC[C@H](C)c1nc([C@H](C)[N-]S(=O)(=O)c2cc(C)c(F)cc2Cl)n[nH]1 ZINC000486620763 502211147 /nfs/dbraw/zinc/21/11/47/502211147.db2.gz ONQMUVJNPWRQKQ-WPRPVWTQSA-N -1 3 374.869 3.459 20 0 FGADHM Cc1cccc(O[C@@H]2CCCC[C@@H]2NC(=O)NCc2ncccc2[O-])c1 ZINC000472055095 502213880 /nfs/dbraw/zinc/21/38/80/502213880.db2.gz UWXXQGFBAJRYFY-QFBILLFUSA-N -1 3 355.438 3.285 20 0 FGADHM Cc1cc([N-]S(=O)(=O)c2cc(Cl)ccc2OCC2CCC2)ccn1 ZINC000468892502 502220234 /nfs/dbraw/zinc/22/02/34/502220234.db2.gz IKTHDNOELZZKQD-UHFFFAOYSA-N -1 3 366.870 3.445 20 0 FGADHM CC(=O)Nc1ccc(CCNC(=O)CCCc2ccc([O-])c(F)c2)cc1 ZINC000468948449 502240134 /nfs/dbraw/zinc/24/01/34/502240134.db2.gz MEMLBOGQOPYCGI-UHFFFAOYSA-N -1 3 358.413 3.171 20 0 FGADHM O=c1[n-]c(-c2cccc(Sc3cnccn3)n2)nc2cc(F)ccc21 ZINC000468969186 502247433 /nfs/dbraw/zinc/24/74/33/502247433.db2.gz NEYQXQTUBYSRTK-UHFFFAOYSA-N -1 3 351.366 3.478 20 0 FGADHM C[C@H]1Cc2ccccc2N1CCNC(=O)CCCc1ccc([O-])c(F)c1 ZINC000468975118 502249144 /nfs/dbraw/zinc/24/91/44/502249144.db2.gz KVTQVBBYAPLCOK-HNNXBMFYSA-N -1 3 356.441 3.421 20 0 FGADHM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(C)c(C)c1)c1cc(C)cc(C)c1 ZINC000468986484 502254069 /nfs/dbraw/zinc/25/40/69/502254069.db2.gz PZNCSQHLNXOGSF-SFHVURJKSA-N -1 3 361.463 3.113 20 0 FGADHM CCCc1noc2nc(C3CC3)cc(C(=O)N=c3[nH][n-]c(CC)c3C)c12 ZINC000465431804 502259075 /nfs/dbraw/zinc/25/90/75/502259075.db2.gz VBAUOHXWDHFUIC-UHFFFAOYSA-N -1 3 353.426 3.321 20 0 FGADHM CC(C)(COCC(F)F)C(=O)Nc1cc(Br)ccc1[O-] ZINC000469005625 502260921 /nfs/dbraw/zinc/26/09/21/502260921.db2.gz PSBJEHAHLFFEAV-UHFFFAOYSA-N -1 3 352.175 3.401 20 0 FGADHM CC(C)(CNC(=O)NCc1ncccc1[O-])c1cccc(Cl)c1F ZINC000472194026 502265201 /nfs/dbraw/zinc/26/52/01/502265201.db2.gz WLTVRRIUPHAAKD-UHFFFAOYSA-N -1 3 351.809 3.357 20 0 FGADHM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CC[C@@H](C)C1 ZINC000469017007 502265468 /nfs/dbraw/zinc/26/54/68/502265468.db2.gz PQYFCAWDQBJLNJ-DYEKYZERSA-N -1 3 361.891 3.221 20 0 FGADHM CC(C)[C@@H](C)CNC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000472205335 502269504 /nfs/dbraw/zinc/26/95/04/502269504.db2.gz MPSHPXGVHOEHTE-JTQLQIEISA-N -1 3 366.405 3.099 20 0 FGADHM COC(=O)[C@@H]1c2ccccc2CCN1C(=O)c1cc([O-])c2ccccc2c1 ZINC000472214667 502272364 /nfs/dbraw/zinc/27/23/64/502272364.db2.gz VJIQSUGYBYUIFZ-FQEVSTJZSA-N -1 3 361.397 3.458 20 0 FGADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1-n1cnnn1 ZINC000486818049 502274412 /nfs/dbraw/zinc/27/44/12/502274412.db2.gz DPUQUHYDGGFZRJ-UHFFFAOYSA-N -1 3 371.466 3.069 20 0 FGADHM Cc1cc(C)c2[n-]cc(C(=O)N3CCOC4(CCCCC4)C3)c(=O)c2c1 ZINC000483142587 502290023 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O=S(=O)([N-]CCCOC1CCCC1)c1ccc(C(F)(F)F)s1 ZINC000462104607 502308855 /nfs/dbraw/zinc/30/88/55/502308855.db2.gz RWFGFJZMGJQZSX-UHFFFAOYSA-N -1 3 357.419 3.395 20 0 FGADHM CC[C@@H](C)NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000469133914 502310434 /nfs/dbraw/zinc/31/04/34/502310434.db2.gz JZIIBXYQFYFTSS-SSDOTTSWSA-N -1 3 357.635 3.472 20 0 FGADHM CC[C@@H](C)NC(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000469133914 502310437 /nfs/dbraw/zinc/31/04/37/502310437.db2.gz JZIIBXYQFYFTSS-SSDOTTSWSA-N -1 3 357.635 3.472 20 0 FGADHM C[C@@H](COCC(F)(F)F)[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000462109708 502310779 /nfs/dbraw/zinc/31/07/79/502310779.db2.gz QVYBCUKIKMYDDI-LURJTMIESA-N -1 3 371.324 3.013 20 0 FGADHM O=C(N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1)c1cc2nccnc2cc1F ZINC000472320218 502313349 /nfs/dbraw/zinc/31/33/49/502313349.db2.gz NZMHJUPYXZHSJN-UHFFFAOYSA-N -1 3 369.306 3.111 20 0 FGADHM C[C@@H]1CC[C@H](C)N1C(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000472319496 502313363 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CC[C@H](O)CN(Cc1ccccc1)C(=O)c1c[n-]c2c(C)cccc2c1=O ZINC000483260459 502331350 /nfs/dbraw/zinc/33/13/50/502331350.db2.gz BZIKZZIKANFNRA-KRWDZBQOSA-N -1 3 364.445 3.250 20 0 FGADHM COC(=O)CCSc1ncccc1[N-]C(=O)c1csc(C2CC2)n1 ZINC000487016776 502332242 /nfs/dbraw/zinc/33/22/42/502332242.db2.gz ZWNBNPZUMUITJD-UHFFFAOYSA-N -1 3 363.464 3.323 20 0 FGADHM Cn1c(CCNC(=O)CCCc2ccc([O-])c(F)c2)nc2cc(F)ccc21 ZINC000469204709 502335537 /nfs/dbraw/zinc/33/55/37/502335537.db2.gz JNPJYXMXNPHFHK-UHFFFAOYSA-N -1 3 373.403 3.239 20 0 FGADHM C[C@@H]1c2cccc(Br)c2CCN1C(=O)c1csc(=O)[n-]1 ZINC000472437285 502351448 /nfs/dbraw/zinc/35/14/48/502351448.db2.gz AKFAHAMGCBCTJM-MRVPVSSYSA-N -1 3 353.241 3.371 20 0 FGADHM COCCOc1cccc(C(=O)Nc2nnc(-c3c(F)cccc3F)[n-]2)c1 ZINC000479769909 502372489 /nfs/dbraw/zinc/37/24/89/502372489.db2.gz SATBRBSLOMRSJL-UHFFFAOYSA-N -1 3 374.347 3.027 20 0 FGADHM COCCOc1cccc(C(=O)Nc2nc(-c3c(F)cccc3F)n[n-]2)c1 ZINC000479769909 502372495 /nfs/dbraw/zinc/37/24/95/502372495.db2.gz SATBRBSLOMRSJL-UHFFFAOYSA-N -1 3 374.347 3.027 20 0 FGADHM COCCOc1cccc(C(=O)Nc2n[n-]c(-c3c(F)cccc3F)n2)c1 ZINC000479769909 502372500 /nfs/dbraw/zinc/37/25/00/502372500.db2.gz SATBRBSLOMRSJL-UHFFFAOYSA-N -1 3 374.347 3.027 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]Cc2ncccc2C)c(Cl)c1Cl ZINC000462295376 502383469 /nfs/dbraw/zinc/38/34/69/502383469.db2.gz KSVUXEKPNLUOGB-UHFFFAOYSA-N -1 3 361.250 3.184 20 0 FGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@H]1CCCCC12CCCC2 ZINC000462297510 502384209 /nfs/dbraw/zinc/38/42/09/502384209.db2.gz YHACGZDWEYNJHO-ZDUSSCGKSA-N -1 3 357.497 3.316 20 0 FGADHM C[C@@H](CC(=O)NCc1ncccc1[O-])c1ccc(F)c(Br)c1 ZINC000462314782 502389037 /nfs/dbraw/zinc/38/90/37/502389037.db2.gz OPDJHOSQXGEAMG-JTQLQIEISA-N -1 3 367.218 3.499 20 0 FGADHM CC[C@@](C)([N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)c1nc(C)cs1 ZINC000462313925 502389456 /nfs/dbraw/zinc/38/94/56/502389456.db2.gz MEAIGNDPYBVMOZ-CQSZACIVSA-N -1 3 364.414 3.473 20 0 FGADHM CCC(CC)CS(=O)(=O)[N-][C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000462317146 502390500 /nfs/dbraw/zinc/39/05/00/502390500.db2.gz LNALOWNCZATBQD-HNNXBMFYSA-N -1 3 372.918 3.191 20 0 FGADHM CC(C)(C)[C@H]1OCCC[C@H]1C[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000462339560 502399214 /nfs/dbraw/zinc/39/92/14/502399214.db2.gz YQFNDYMFMQIFGH-BONVTDFDSA-N -1 3 365.417 3.224 20 0 FGADHM O=S(=O)([N-]CC1(CO)CCCC1)c1cc2cc(Cl)ccc2s1 ZINC000472701956 502421686 /nfs/dbraw/zinc/42/16/86/502421686.db2.gz FTHFWCZKDLJRFR-UHFFFAOYSA-N -1 3 359.900 3.386 20 0 FGADHM CO[C@@H](C[N-]S(=O)(=O)c1cc(C)ccc1F)c1ccc(Cl)cc1 ZINC000462410843 502427374 /nfs/dbraw/zinc/42/73/74/502427374.db2.gz UCABZCDSVHDLIE-HNNXBMFYSA-N -1 3 357.834 3.454 20 0 FGADHM CO[C@@H](C[N-]S(=O)(=O)c1ccc(C)cc1F)c1ccc(Cl)cc1 ZINC000462415964 502429430 /nfs/dbraw/zinc/42/94/30/502429430.db2.gz IQPKEXGRWNDEOH-HNNXBMFYSA-N -1 3 357.834 3.454 20 0 FGADHM O=S(=O)([N-]CCc1cccc2cccnc21)c1cc(F)c(F)c(F)c1 ZINC000462453765 502445233 /nfs/dbraw/zinc/44/52/33/502445233.db2.gz FDKZBZMQZMVBCB-UHFFFAOYSA-N -1 3 366.364 3.173 20 0 FGADHM CCOc1nc2cc(C(=O)NCc3ccc(-n4cccn4)cc3)ccc2[n-]1 ZINC000469512449 502447216 /nfs/dbraw/zinc/44/72/16/502447216.db2.gz RPTUKRDZARGEDP-UHFFFAOYSA-N -1 3 361.405 3.077 20 0 FGADHM CCOc1nc2ccc(C(=O)NCc3ccc(-n4cccn4)cc3)cc2[n-]1 ZINC000469512449 502447221 /nfs/dbraw/zinc/44/72/21/502447221.db2.gz RPTUKRDZARGEDP-UHFFFAOYSA-N -1 3 361.405 3.077 20 0 FGADHM O=S(=O)([N-]CCc1nc2ccccc2n1C(F)F)c1cccs1 ZINC000487452698 502448074 /nfs/dbraw/zinc/44/80/74/502448074.db2.gz QQUPEEYBCMKEQC-UHFFFAOYSA-N -1 3 357.407 3.014 20 0 FGADHM CCCN(CC(=O)OC(C)(C)C)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000469561264 502462823 /nfs/dbraw/zinc/46/28/23/502462823.db2.gz YVEQIVNJQWOIEB-UHFFFAOYSA-N -1 3 353.434 3.434 20 0 FGADHM CCOc1nc2ccc(C(=O)Nc3nnc(-c4ccco4)s3)cc2[n-]1 ZINC000469563852 502464024 /nfs/dbraw/zinc/46/40/24/502464024.db2.gz OQBRHBWZVIDMTP-UHFFFAOYSA-N -1 3 355.379 3.325 20 0 FGADHM CCOc1nc2cc(C(=O)Nc3nnc(-c4ccco4)s3)ccc2[n-]1 ZINC000469563852 502464027 /nfs/dbraw/zinc/46/40/27/502464027.db2.gz 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FGADHM COc1ccc(O[C@H](C)C[N-]S(=O)(=O)c2ccc(Cl)cc2F)cc1 ZINC000462607229 502505395 /nfs/dbraw/zinc/50/53/95/502505395.db2.gz OJZGACZKSDZOIK-LLVKDONJSA-N -1 3 373.833 3.234 20 0 FGADHM CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(Cc2cc([O-])cc(F)c2)C1 ZINC000473144992 502528364 /nfs/dbraw/zinc/52/83/64/502528364.db2.gz IZMQVPDVBWDVOO-CYBMUJFWSA-N -1 3 362.367 3.154 20 0 FGADHM CCCCOc1ccccc1NC(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000480295733 502529684 /nfs/dbraw/zinc/52/96/84/502529684.db2.gz SCVGNGCFHLVLAO-UHFFFAOYSA-N -1 3 357.336 3.324 20 0 FGADHM CCCCOc1ccccc1NC(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000480295733 502529686 /nfs/dbraw/zinc/52/96/86/502529686.db2.gz SCVGNGCFHLVLAO-UHFFFAOYSA-N -1 3 357.336 3.324 20 0 FGADHM CCCCOc1ccccc1NC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000480295733 502529688 /nfs/dbraw/zinc/52/96/88/502529688.db2.gz SCVGNGCFHLVLAO-UHFFFAOYSA-N -1 3 357.336 3.324 20 0 FGADHM CO[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1F)c1cccc(Cl)c1 ZINC000462670785 502529852 /nfs/dbraw/zinc/52/98/52/502529852.db2.gz VPEFSTWYQVNKEJ-CQSZACIVSA-N -1 3 361.797 3.284 20 0 FGADHM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)c1cccc(C2CCC2)c1 ZINC000466332397 502539209 /nfs/dbraw/zinc/53/92/09/502539209.db2.gz FEDVPCNDBGFRRM-UHFFFAOYSA-N -1 3 356.378 3.108 20 0 FGADHM Cc1cc(C)nc(NC(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000462711385 502543943 /nfs/dbraw/zinc/54/39/43/502543943.db2.gz PADRYSRSEABCBE-UHFFFAOYSA-N -1 3 350.216 3.488 20 0 FGADHM COc1ccc(OC)c(CNC(=O)c2cc([O-])ccc2C(F)(F)F)c1 ZINC000473276986 502557063 /nfs/dbraw/zinc/55/70/63/502557063.db2.gz AOJUICYLXITCFT-UHFFFAOYSA-N -1 3 355.312 3.358 20 0 FGADHM CCOc1ccccc1[C@](N)(C(=O)Nc1ccc(C)cc1[O-])C(F)(F)F ZINC000484073162 502562979 /nfs/dbraw/zinc/56/29/79/502562979.db2.gz PDPIBBZWKCWOEC-KRWDZBQOSA-N -1 3 368.355 3.454 20 0 FGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]CC2(C)CCC(OC)CC2)c1 ZINC000480432350 502567949 /nfs/dbraw/zinc/56/79/49/502567949.db2.gz BJPXAQYCNCYYCL-UHFFFAOYSA-N -1 3 361.891 3.222 20 0 FGADHM Fc1cc(Br)cc([C@@H](N=c2ncnc3[nH][n-]cc2-3)C2CC2)c1 ZINC000480505702 502586169 /nfs/dbraw/zinc/58/61/69/502586169.db2.gz JHZPCXYDEYGZNG-ZDUSSCGKSA-N -1 3 362.206 3.191 20 0 FGADHM CCOc1nc2cc(C(=O)NCCc3nc4c(s3)CCCC4)ccc2[n-]1 ZINC000469892202 502587099 /nfs/dbraw/zinc/58/70/99/502587099.db2.gz VQFCESASSMYXIO-UHFFFAOYSA-N -1 3 370.478 3.269 20 0 FGADHM CCOc1nc2ccc(C(=O)NCCc3nc4c(s3)CCCC4)cc2[n-]1 ZINC000469892202 502587102 /nfs/dbraw/zinc/58/71/02/502587102.db2.gz VQFCESASSMYXIO-UHFFFAOYSA-N -1 3 370.478 3.269 20 0 FGADHM CCOC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(F)c(F)cc2F)c1 ZINC000473489771 502608343 /nfs/dbraw/zinc/60/83/43/502608343.db2.gz QLGGZUFGUKWFKB-UHFFFAOYSA-N -1 3 373.352 3.390 20 0 FGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)CCc1cncc2ccccc21 ZINC000462911828 502623614 /nfs/dbraw/zinc/62/36/14/502623614.db2.gz OZEVHTHJOORARI-UHFFFAOYSA-N -1 3 369.446 3.178 20 0 FGADHM CC(C)n1ncc2ccc(NC(=O)NCc3nnc(C(F)(F)F)[n-]3)cc21 ZINC000480640680 502630231 /nfs/dbraw/zinc/63/02/31/502630231.db2.gz XYSGWQJLZMUKMH-UHFFFAOYSA-N -1 3 367.335 3.076 20 0 FGADHM CC(C)n1ncc2ccc(NC(=O)NCc3n[n-]c(C(F)(F)F)n3)cc21 ZINC000480640680 502630236 /nfs/dbraw/zinc/63/02/36/502630236.db2.gz XYSGWQJLZMUKMH-UHFFFAOYSA-N -1 3 367.335 3.076 20 0 FGADHM CC(C)n1ncc2ccc(NC(=O)NCc3nc(C(F)(F)F)n[n-]3)cc21 ZINC000480640680 502630240 /nfs/dbraw/zinc/63/02/40/502630240.db2.gz XYSGWQJLZMUKMH-UHFFFAOYSA-N -1 3 367.335 3.076 20 0 FGADHM COc1ccc(S(=O)(=O)[N-][C@H](C)[C@H](OC)c2ccccc2F)c(F)c1 ZINC000480687430 502643081 /nfs/dbraw/zinc/64/30/81/502643081.db2.gz HFGZAHJMDBICHD-DIFFPNOSSA-N -1 3 371.405 3.028 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]C[C@@H]2CCC[C@H](C(F)(F)F)C2)c(F)c1 ZINC000480690029 502643530 /nfs/dbraw/zinc/64/35/30/502643530.db2.gz QHGGDCBXWFCHOP-MNOVXSKESA-N -1 3 369.380 3.481 20 0 FGADHM C[C@@H]1CCC[C@@H]1CNC(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000466707414 502648187 /nfs/dbraw/zinc/64/81/87/502648187.db2.gz YYDWCXGLHFNLFI-GDBMZVCRSA-N -1 3 359.470 3.189 20 0 FGADHM Cc1ccc(C[C@@H](CO)[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000466732348 502656816 /nfs/dbraw/zinc/65/68/16/502656816.db2.gz BDSOUNIKIVJEDC-ZDUSSCGKSA-N -1 3 374.289 3.184 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]C[C@@H](C)Oc2ccccc2Cl)c(F)c1 ZINC000480737153 502657040 /nfs/dbraw/zinc/65/70/40/502657040.db2.gz NOHVZWWHEHLKCY-LLVKDONJSA-N -1 3 373.833 3.234 20 0 FGADHM CC(C)(C)Cc1nc(-c2ccc(C(=O)NCc3ncccc3[O-])cc2)no1 ZINC000473632689 502661479 /nfs/dbraw/zinc/66/14/79/502661479.db2.gz CTCINWPIJMWWNY-UHFFFAOYSA-N -1 3 366.421 3.356 20 0 FGADHM CC(C)(C)Cc1nc(-c2cccc(C(=O)NCc3ncccc3[O-])c2)no1 ZINC000473639063 502663659 /nfs/dbraw/zinc/66/36/59/502663659.db2.gz CPMGPXKWBZRBQN-UHFFFAOYSA-N -1 3 366.421 3.356 20 0 FGADHM O=C(NCc1ncccc1[O-])Nc1cc(F)cc(Br)c1F ZINC000470116674 502665909 /nfs/dbraw/zinc/66/59/09/502665909.db2.gz GZBDZNQOUJQKLY-UHFFFAOYSA-N -1 3 358.142 3.150 20 0 FGADHM CC(C)c1nnc(C[N-]S(=O)(=O)N2CCC3(CCCCC3)CC2)s1 ZINC000480819411 502679778 /nfs/dbraw/zinc/67/97/78/502679778.db2.gz AVZLWPQVHXOXHS-UHFFFAOYSA-N -1 3 372.560 3.042 20 0 FGADHM O=C(Nc1nnc(SCCO)[n-]1)C1(C2CCCCC2)CCCCC1 ZINC000473714726 502683836 /nfs/dbraw/zinc/68/38/36/502683836.db2.gz JMYUYACIOKXUCR-UHFFFAOYSA-N -1 3 352.504 3.358 20 0 FGADHM O=C(Nc1nc(SCCO)n[n-]1)C1(C2CCCCC2)CCCCC1 ZINC000473714726 502683842 /nfs/dbraw/zinc/68/38/42/502683842.db2.gz JMYUYACIOKXUCR-UHFFFAOYSA-N -1 3 352.504 3.358 20 0 FGADHM O=C(Nc1n[n-]c(SCCO)n1)C1(C2CCCCC2)CCCCC1 ZINC000473714726 502683846 /nfs/dbraw/zinc/68/38/46/502683846.db2.gz JMYUYACIOKXUCR-UHFFFAOYSA-N -1 3 352.504 3.358 20 0 FGADHM CC(C)(C)OC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)CC1CCCC1 ZINC000480840666 502685080 /nfs/dbraw/zinc/68/50/80/502685080.db2.gz HVCHYHXBUOBLGL-KRWDZBQOSA-N -1 3 367.511 3.049 20 0 FGADHM CC[C@H](C)Oc1cccc(NC(=O)NCc2nnc(C(F)(F)F)[n-]2)c1 ZINC000480840620 502685260 /nfs/dbraw/zinc/68/52/60/502685260.db2.gz HGYYWTXNAREMTR-VIFPVBQESA-N -1 3 357.336 3.323 20 0 FGADHM CC[C@H](C)Oc1cccc(NC(=O)NCc2n[n-]c(C(F)(F)F)n2)c1 ZINC000480840620 502685268 /nfs/dbraw/zinc/68/52/68/502685268.db2.gz HGYYWTXNAREMTR-VIFPVBQESA-N -1 3 357.336 3.323 20 0 FGADHM CC[C@H](C)Oc1cccc(NC(=O)NCc2nc(C(F)(F)F)n[n-]2)c1 ZINC000480840620 502685274 /nfs/dbraw/zinc/68/52/74/502685274.db2.gz HGYYWTXNAREMTR-VIFPVBQESA-N -1 3 357.336 3.323 20 0 FGADHM C/C=C/C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)C(=O)OCC ZINC000477135487 502687103 /nfs/dbraw/zinc/68/71/03/502687103.db2.gz JWPISHYZLUJVEQ-JOAKQRRISA-N -1 3 366.266 3.170 20 0 FGADHM COc1cccc(Cl)c1CC(=O)Nc1n[n-]c(-c2ccccc2F)n1 ZINC000463113379 502699446 /nfs/dbraw/zinc/69/94/46/502699446.db2.gz ORZLKBMHLZWCNB-UHFFFAOYSA-N -1 3 360.776 3.454 20 0 FGADHM O=C(Cc1ccc(Br)cc1[O-])Nc1ccc2oc(=O)[nH]c2c1 ZINC000477208993 502707749 /nfs/dbraw/zinc/70/77/49/502707749.db2.gz LTJUTWKMXUJMJB-UHFFFAOYSA-N -1 3 363.167 3.183 20 0 FGADHM C[C@H]1CCN(C(=O)c2ccc([N-]S(C)(=O)=O)cc2)CC12CCCCC2 ZINC000463164021 502710279 /nfs/dbraw/zinc/71/02/79/502710279.db2.gz NDFHVUCWWJNCIZ-HNNXBMFYSA-N -1 3 364.511 3.491 20 0 FGADHM O=S(=O)(Cc1ccccc1F)[N-]Cc1c(F)cccc1OC(F)F ZINC000480946517 502711700 /nfs/dbraw/zinc/71/17/00/502711700.db2.gz AVAJNHAOYIUKNS-UHFFFAOYSA-N -1 3 363.332 3.186 20 0 FGADHM CCN(C(=O)N=c1cc(C)c(C)n[n-]1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000473812439 502713610 /nfs/dbraw/zinc/71/36/10/502713610.db2.gz YHKVMEAJQCPXLX-HKUYNNGSSA-N -1 3 367.497 3.205 20 0 FGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCCc3ccc(F)cc32)s1 ZINC000480962360 502714493 /nfs/dbraw/zinc/71/44/93/502714493.db2.gz NAOXCQNOCZEAKO-CYBMUJFWSA-N -1 3 369.439 3.030 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]Cc2c(F)cccc2OC(F)F)c(F)c1 ZINC000480980933 502718803 /nfs/dbraw/zinc/71/88/03/502718803.db2.gz PJGKWAGQPNIVJT-UHFFFAOYSA-N -1 3 363.332 3.353 20 0 FGADHM CS[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)cn2)C1 ZINC000480993434 502722876 /nfs/dbraw/zinc/72/28/76/502722876.db2.gz UUXORLJGWXBQRN-GHMZBOCLSA-N -1 3 354.419 3.053 20 0 FGADHM CCS[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)cn2)C1 ZINC000480993357 502723107 /nfs/dbraw/zinc/72/31/07/502723107.db2.gz WZOFYKQSNPKXKI-NWDGAFQWSA-N -1 3 368.446 3.443 20 0 FGADHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)c1ccccc1C(=O)c1ccccc1 ZINC000473849581 502723884 /nfs/dbraw/zinc/72/38/84/502723884.db2.gz LGNXRDZUARXOGQ-GOSISDBHSA-N -1 3 361.401 3.166 20 0 FGADHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1c[nH]nc1-c1ccc(Cl)s1 ZINC000473851799 502725528 /nfs/dbraw/zinc/72/55/28/502725528.db2.gz SCZZATWPKRXXRX-JTQLQIEISA-N -1 3 363.830 3.040 20 0 FGADHM COc1ccc(CC[N-]S(=O)(=O)c2cc(C)c(Cl)s2)cc1F ZINC000473857632 502727844 /nfs/dbraw/zinc/72/78/44/502727844.db2.gz SWYKKZCASZSHMU-UHFFFAOYSA-N -1 3 363.863 3.379 20 0 FGADHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1ccccc1CCC(F)(F)F ZINC000473858164 502728699 /nfs/dbraw/zinc/72/86/99/502728699.db2.gz QAMOYIIYHSIGLJ-AWEZNQCLSA-N -1 3 353.344 3.430 20 0 FGADHM COc1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)c2cccnc2)c(F)c1 ZINC000481028949 502733485 /nfs/dbraw/zinc/73/34/85/502733485.db2.gz VTBHWJRKZYVYNG-IBGZPJMESA-N -1 3 372.421 3.297 20 0 FGADHM CN(CC[N-]S(=O)(=O)c1ccc(F)cc1Cl)Cc1ccc(F)cc1 ZINC000484778935 502739190 /nfs/dbraw/zinc/73/91/90/502739190.db2.gz RUHKTEDGJIPTPY-UHFFFAOYSA-N -1 3 374.840 3.029 20 0 FGADHM Cc1ccc(Br)cc1S(=O)(=O)[N-]c1ccnc(N(C)C)c1 ZINC000481059786 502743207 /nfs/dbraw/zinc/74/32/07/502743207.db2.gz YIXQBVVGVBUWIN-UHFFFAOYSA-N -1 3 370.272 3.019 20 0 FGADHM Cc1ccc(-c2nnc(NC(=O)COc3ccc4c(c3)CCCC4)[n-]2)o1 ZINC000488531719 502743378 /nfs/dbraw/zinc/74/33/78/502743378.db2.gz YUUKQWZFHXNWDX-UHFFFAOYSA-N -1 3 352.394 3.269 20 0 FGADHM Cc1ccc(-c2n[n-]c(NC(=O)COc3ccc4c(c3)CCCC4)n2)o1 ZINC000488531719 502743384 /nfs/dbraw/zinc/74/33/84/502743384.db2.gz YUUKQWZFHXNWDX-UHFFFAOYSA-N -1 3 352.394 3.269 20 0 FGADHM Cc1ccc(-c2nc(NC(=O)COc3ccc4c(c3)CCCC4)n[n-]2)o1 ZINC000488531719 502743391 /nfs/dbraw/zinc/74/33/91/502743391.db2.gz YUUKQWZFHXNWDX-UHFFFAOYSA-N -1 3 352.394 3.269 20 0 FGADHM CCN1CCC[C@H](C[N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)C1 ZINC000473904229 502744280 /nfs/dbraw/zinc/74/42/80/502744280.db2.gz YRXRTWVEGLKJLJ-SNVBAGLBSA-N -1 3 369.289 3.143 20 0 FGADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)c2ccc3c(c2)OCO3)sc1Cl ZINC000473909646 502746460 /nfs/dbraw/zinc/74/64/60/502746460.db2.gz CUDXKRURROOMOY-VIFPVBQESA-N -1 3 359.856 3.478 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]Cc2ccn(-c3ccccc3)n2)sc1Cl ZINC000473914379 502747227 /nfs/dbraw/zinc/74/72/27/502747227.db2.gz VEOBGWCJXXXASE-UHFFFAOYSA-N -1 3 367.883 3.374 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]CCn2cnc3ccccc32)sc1Cl ZINC000473915977 502747334 /nfs/dbraw/zinc/74/73/34/502747334.db2.gz YFIUFKSZLWJKMD-UHFFFAOYSA-N -1 3 355.872 3.038 20 0 FGADHM CCN(CC(=O)OC(C)(C)C)C1CCN(Cc2cc([O-])cc(F)c2)CC1 ZINC000488549039 502748732 /nfs/dbraw/zinc/74/87/32/502748732.db2.gz WDQFZODYLDMXFQ-UHFFFAOYSA-N -1 3 366.477 3.159 20 0 FGADHM CCOc1ccccc1NC(=O)[C@@H](C)SCc1nc(CC)cc(=O)[n-]1 ZINC000477349674 502749856 /nfs/dbraw/zinc/74/98/56/502749856.db2.gz HKBYGNFNBQTXKL-GFCCVEGCSA-N -1 3 361.467 3.404 20 0 FGADHM CN(C)c1nc(C(=O)N(C)C2c3ccccc3-c3ccccc32)cc(=O)[n-]1 ZINC000463323447 502757020 /nfs/dbraw/zinc/75/70/20/502757020.db2.gz HRIUDWNDMQGIJA-UHFFFAOYSA-N -1 3 360.417 3.090 20 0 FGADHM CCS[C@@H]1CCC[C@H]1NC(=O)Cc1ccc(Br)cc1[O-] ZINC000477374647 502757276 /nfs/dbraw/zinc/75/72/76/502757276.db2.gz NTMIKZOUCZRRBB-TZMCWYRMSA-N -1 3 358.301 3.488 20 0 FGADHM COc1ccccc1C1(C[N-]S(=O)(=O)c2cc(F)ccc2Cl)CC1 ZINC000488672483 502777822 /nfs/dbraw/zinc/77/78/22/502777822.db2.gz WWLZJASZUAGIHG-UHFFFAOYSA-N -1 3 369.845 3.498 20 0 FGADHM COC(=O)[C@H](CS(=O)(=O)[N-]c1cccc(SC)c1)c1ccccc1 ZINC000477501305 502791161 /nfs/dbraw/zinc/79/11/61/502791161.db2.gz HPBKYZDRINXIOK-MRXNPFEDSA-N -1 3 365.476 3.107 20 0 FGADHM Cc1cc(NC(=O)NCc2nnc(C(F)(F)F)[n-]2)ccc1C(F)(F)F ZINC000481232883 502792293 /nfs/dbraw/zinc/79/22/93/502792293.db2.gz WJEYAKSQDHAOEX-UHFFFAOYSA-N -1 3 367.253 3.472 20 0 FGADHM Cc1cc(NC(=O)NCc2n[n-]c(C(F)(F)F)n2)ccc1C(F)(F)F ZINC000481232883 502792300 /nfs/dbraw/zinc/79/23/00/502792300.db2.gz WJEYAKSQDHAOEX-UHFFFAOYSA-N -1 3 367.253 3.472 20 0 FGADHM Cc1cc(NC(=O)NCc2nc(C(F)(F)F)n[n-]2)ccc1C(F)(F)F ZINC000481232883 502792307 /nfs/dbraw/zinc/79/23/07/502792307.db2.gz WJEYAKSQDHAOEX-UHFFFAOYSA-N -1 3 367.253 3.472 20 0 FGADHM O=S(=O)([N-][C@H]1C=CCCC1)c1ccc(Br)cc1Cl ZINC000467123885 502794983 /nfs/dbraw/zinc/79/49/83/502794983.db2.gz DIKHMGKHKMVUFR-JTQLQIEISA-N -1 3 350.665 3.490 20 0 FGADHM Cc1nc(CC(=O)Nc2nnc(-c3cc4ccccc4o3)[n-]2)c(C)s1 ZINC000485116953 502816725 /nfs/dbraw/zinc/81/67/25/502816725.db2.gz BATCEARPPHBPTB-UHFFFAOYSA-N -1 3 353.407 3.472 20 0 FGADHM Cc1nc(CC(=O)Nc2nc(-c3cc4ccccc4o3)n[n-]2)c(C)s1 ZINC000485116953 502816727 /nfs/dbraw/zinc/81/67/27/502816727.db2.gz BATCEARPPHBPTB-UHFFFAOYSA-N -1 3 353.407 3.472 20 0 FGADHM Cc1nc(CC(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)c(C)s1 ZINC000485116953 502816728 /nfs/dbraw/zinc/81/67/28/502816728.db2.gz BATCEARPPHBPTB-UHFFFAOYSA-N -1 3 353.407 3.472 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-][C@@](C)(c2ccc(F)cc2)C(F)(F)F)cn1 ZINC000509221475 502853545 /nfs/dbraw/zinc/85/35/45/502853545.db2.gz AZPCOKZZYNSNDU-AWEZNQCLSA-N -1 3 362.348 3.285 20 0 FGADHM 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O=C(Nc1ccc(OC(F)(F)F)cc1[O-])c1ccc(NCC2CC2)nc1 ZINC000506934799 503197141 /nfs/dbraw/zinc/19/71/41/503197141.db2.gz XGDSBQQDXACGRI-UHFFFAOYSA-N -1 3 367.327 3.182 20 0 FGADHM CCCc1ccc(-c2cc(=NC(=O)c3ccc4nnc(C)n4c3)[nH][n-]2)cc1 ZINC000506944257 503198341 /nfs/dbraw/zinc/19/83/41/503198341.db2.gz KRHPWARPSOAHDH-UHFFFAOYSA-N -1 3 360.421 3.055 20 0 FGADHM CCC(CC)(C[N-]S(=O)(=O)c1cc(F)ccc1Br)OC ZINC000490577078 503198357 /nfs/dbraw/zinc/19/83/57/503198357.db2.gz FCYIBYCLFOLRMI-UHFFFAOYSA-N -1 3 368.268 3.072 20 0 FGADHM CCc1nc(C)c(C[N-]S(=O)(=O)c2cc(C)cc(Br)c2)o1 ZINC000490624630 503205782 /nfs/dbraw/zinc/20/57/82/503205782.db2.gz ILPFZNDJLORNGB-UHFFFAOYSA-N -1 3 373.272 3.095 20 0 FGADHM Cc1cccc(N2C[C@H](C(=O)N3CCCc4cccc([O-])c43)CC2=O)c1C ZINC000490864209 503238294 /nfs/dbraw/zinc/23/82/94/503238294.db2.gz XVSAWOQUVGKPKP-QGZVFWFLSA-N -1 3 364.445 3.341 20 0 FGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCc1c(F)cc(F)cc1F ZINC000511033157 503238756 /nfs/dbraw/zinc/23/87/56/503238756.db2.gz 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COC(=O)c1cc(C(=O)Nc2cccc3c2CN(c2nccs2)C3)c[n-]1 ZINC000491047491 503265194 /nfs/dbraw/zinc/26/51/94/503265194.db2.gz GMNPERUONYCYAJ-UHFFFAOYSA-N -1 3 368.418 3.030 20 0 FGADHM C[C@H](C[N-]S(=O)(=O)c1cc(F)cc(F)c1)COCc1ccccc1 ZINC000507291804 503270307 /nfs/dbraw/zinc/27/03/07/503270307.db2.gz YRBGWUOGWKGLRQ-CYBMUJFWSA-N -1 3 355.406 3.096 20 0 FGADHM O=S(=O)([N-][C@@H](CO)CC1CCCC1)c1cc(C(F)(F)F)ccc1F ZINC000511209788 503280866 /nfs/dbraw/zinc/28/08/66/503280866.db2.gz WYUXDTNMCVZSGH-GFCCVEGCSA-N -1 3 369.380 3.064 20 0 FGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)[C@H]1Cc2ccccc2S1 ZINC000511276133 503291515 /nfs/dbraw/zinc/29/15/15/503291515.db2.gz GVAAVQKEURQEDZ-CQSZACIVSA-N -1 3 374.263 3.174 20 0 FGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)c1cc2ccccc2[nH]1 ZINC000511286401 503293724 /nfs/dbraw/zinc/29/37/24/503293724.db2.gz OTIMOTJYESPEPP-UHFFFAOYSA-N -1 3 355.195 3.252 20 0 FGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)c1ccc2cc[nH]c2c1 ZINC000511303301 503296848 /nfs/dbraw/zinc/29/68/48/503296848.db2.gz GBQIVHAZPBJEKA-UHFFFAOYSA-N -1 3 355.195 3.252 20 0 FGADHM CCN(Cc1cccc(Br)c1)C(=O)c1ccc2n[n-]nc2c1 ZINC000498940260 503299893 /nfs/dbraw/zinc/29/98/93/503299893.db2.gz QGDZKLQLGVUTBY-UHFFFAOYSA-N -1 3 359.227 3.383 20 0 FGADHM CCn1cc(C[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)cn1 ZINC000511362132 503306756 /nfs/dbraw/zinc/30/67/56/503306756.db2.gz OTTKRJKWIOXEIM-UHFFFAOYSA-N -1 3 368.673 3.342 20 0 FGADHM C[C@@H]1C[C@@H](C)CN(S(=O)(=O)[N-][C@@H](c2nccs2)c2ccccc2)C1 ZINC000507525687 503315003 /nfs/dbraw/zinc/31/50/03/503315003.db2.gz FHVAYEHEVCJARK-IIAWOOMASA-N -1 3 365.524 3.045 20 0 FGADHM C[C@H]1CCCN(C(=O)C2CCN(Cc3c(F)ccc([O-])c3F)CC2)C1 ZINC000507553288 503320424 /nfs/dbraw/zinc/32/04/24/503320424.db2.gz RKVDSTDSMOURDJ-ZDUSSCGKSA-N -1 3 352.425 3.141 20 0 FGADHM CSc1nnc(NC(=O)c2cc(-c3ccccc3)nc3onc(C)c32)[n-]1 ZINC000499073020 503327428 /nfs/dbraw/zinc/32/74/28/503327428.db2.gz GGBFKYNWQPQDIX-UHFFFAOYSA-N -1 3 366.406 3.291 20 0 FGADHM CSc1n[n-]c(NC(=O)c2cc(-c3ccccc3)nc3onc(C)c32)n1 ZINC000499073020 503327431 /nfs/dbraw/zinc/32/74/31/503327431.db2.gz GGBFKYNWQPQDIX-UHFFFAOYSA-N -1 3 366.406 3.291 20 0 FGADHM CSc1nc(NC(=O)c2cc(-c3ccccc3)nc3onc(C)c32)n[n-]1 ZINC000499073020 503327434 /nfs/dbraw/zinc/32/74/34/503327434.db2.gz GGBFKYNWQPQDIX-UHFFFAOYSA-N -1 3 366.406 3.291 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(OCCCO)cc2)cc1Cl ZINC000507587298 503327764 /nfs/dbraw/zinc/32/77/64/503327764.db2.gz WQZNKRRBCSZYLE-UHFFFAOYSA-N -1 3 355.843 3.210 20 0 FGADHM Cc1ccc(NC(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)cc1Cl ZINC000511505572 503334170 /nfs/dbraw/zinc/33/41/70/503334170.db2.gz NOANUCWATIFCCH-UHFFFAOYSA-N -1 3 356.806 3.411 20 0 FGADHM CCCCc1nc(C(=O)OCC)c(NC(=O)c2ccnn2CC(C)C)[n-]1 ZINC000515487831 503349097 /nfs/dbraw/zinc/34/90/97/503349097.db2.gz XEKIVRBHKBDINO-UHFFFAOYSA-N -1 3 361.446 3.034 20 0 FGADHM CCCCc1nc(NC(=O)c2ccnn2CC(C)C)c(C(=O)OCC)[n-]1 ZINC000515487831 503349101 /nfs/dbraw/zinc/34/91/01/503349101.db2.gz XEKIVRBHKBDINO-UHFFFAOYSA-N -1 3 361.446 3.034 20 0 FGADHM Cc1cc(C)c(-c2cc(=NC(=O)Cc3ccc4c(c3)OCO4)[nH][n-]2)cc1C ZINC000499174891 503349916 /nfs/dbraw/zinc/34/99/16/503349916.db2.gz KXKDPIILJQVULY-UHFFFAOYSA-N -1 3 363.417 3.334 20 0 FGADHM Cc1nnc([N-]C(=O)c2csc(-c3cnn(-c4ccccc4)c3)n2)s1 ZINC000503151202 503355589 /nfs/dbraw/zinc/35/55/89/503355589.db2.gz JVERETXRMRPADF-UHFFFAOYSA-N -1 3 368.447 3.408 20 0 FGADHM CC[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)CCc2cccs2)cc1 ZINC000515564330 503366595 /nfs/dbraw/zinc/36/65/95/503366595.db2.gz BTSOJWJKMGOLKV-CYBMUJFWSA-N -1 3 366.508 3.261 20 0 FGADHM CC(C)(C)[S@](=O)Cc1cccc(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000515668688 503382187 /nfs/dbraw/zinc/38/21/87/503382187.db2.gz NASMUCBWRUJCNR-AREMUKBSSA-N -1 3 373.478 3.359 20 0 FGADHM COCCSc1ccc([C@@H](C)NC(=O)c2cc(F)cc3nn[n-]c32)cc1 ZINC000503293451 503385595 /nfs/dbraw/zinc/38/55/95/503385595.db2.gz YDNLAPQQTRRKHK-LLVKDONJSA-N -1 3 374.441 3.327 20 0 FGADHM COCCSc1ccc([C@@H](C)NC(=O)c2cc(F)cc3[n-]nnc32)cc1 ZINC000503293451 503385596 /nfs/dbraw/zinc/38/55/96/503385596.db2.gz YDNLAPQQTRRKHK-LLVKDONJSA-N -1 3 374.441 3.327 20 0 FGADHM COCCSc1ccc([C@@H](C)NC(=O)c2cc(F)cc3n[n-]nc32)cc1 ZINC000503293451 503385599 /nfs/dbraw/zinc/38/55/99/503385599.db2.gz YDNLAPQQTRRKHK-LLVKDONJSA-N -1 3 374.441 3.327 20 0 FGADHM O=C(NC[C@H](CO)Cc1cc(F)c(F)c(F)c1)c1cc([O-])ccc1Cl ZINC000507877151 503385981 /nfs/dbraw/zinc/38/59/81/503385981.db2.gz VEGTUATXPVWCQK-SNVBAGLBSA-N -1 3 373.758 3.044 20 0 FGADHM COC(=O)c1cccc([N-]C(=O)c2cc(C3CC3)no2)c1Br ZINC000507998648 503411261 /nfs/dbraw/zinc/41/12/61/503411261.db2.gz IKVKSUSWVUFEAM-UHFFFAOYSA-N -1 3 365.183 3.353 20 0 FGADHM O=C(Cc1csc(NC(=O)c2cccc([O-])c2)n1)N[C@@H]1CC12CCCC2 ZINC000515863143 503413574 /nfs/dbraw/zinc/41/35/74/503413574.db2.gz LFUWXXXEXCSXNG-OAHLLOKOSA-N -1 3 371.462 3.092 20 0 FGADHM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)c(F)c1 ZINC000508111160 503433090 /nfs/dbraw/zinc/43/30/90/503433090.db2.gz SYSIMMAKSWNOFJ-UHFFFAOYSA-N -1 3 363.410 3.292 20 0 FGADHM CCc1c([N-]S(=O)(=O)CCc2cccs2)cnn1-c1ccccc1 ZINC000582697905 506371210 /nfs/dbraw/zinc/37/12/10/506371210.db2.gz ULIHDYRYYOAMNV-UHFFFAOYSA-N -1 3 361.492 3.481 20 0 FGADHM O=S(=O)([N-]Cc1ccco1)c1cccc(Cl)c1Br ZINC000493637562 503437165 /nfs/dbraw/zinc/43/71/65/503437165.db2.gz YVBLMEFGYFHKFF-UHFFFAOYSA-N -1 3 350.621 3.174 20 0 FGADHM O=C(Cc1ccc(Br)cc1[O-])N1CCC[C@@H]1[C@@H]1CCCC1=O ZINC000493617189 503435745 /nfs/dbraw/zinc/43/57/45/503435745.db2.gz ARNQADHCBKZMMG-UONOGXRCSA-N -1 3 366.255 3.057 20 0 FGADHM CN(C)Cc1ccc(S(=O)(=O)[N-]c2csc(-c3ccccn3)n2)cc1 ZINC000508126178 503436939 /nfs/dbraw/zinc/43/69/39/503436939.db2.gz CKYJXQGEOMWDHO-UHFFFAOYSA-N -1 3 374.491 3.068 20 0 FGADHM [O-]c1ccc(F)c(CNCc2nnc3ccc(C(F)(F)F)cn32)c1F ZINC000512028261 503437954 /nfs/dbraw/zinc/43/79/54/503437954.db2.gz WUYXVOSDUTYFJQ-UHFFFAOYSA-N -1 3 358.270 3.022 20 0 FGADHM Cc1ccc(C[C@@H]2CCCN2C(=O)c2ccc([N-]S(C)(=O)=O)cc2)cc1 ZINC000499605013 503440874 /nfs/dbraw/zinc/44/08/74/503440874.db2.gz OKFUVSBCTGKWTC-IBGZPJMESA-N -1 3 372.490 3.214 20 0 FGADHM [O-]c1ccc(F)c(CNCc2cc3c(c(Br)c2)OCO3)c1F ZINC000512056001 503446025 /nfs/dbraw/zinc/44/60/25/503446025.db2.gz DXERAVRVBIIZJO-UHFFFAOYSA-N -1 3 372.165 3.451 20 0 FGADHM O=C(Nc1ccc(Cl)c(N2CCNC2=O)c1)c1cc([O-])ccc1Cl ZINC000512116374 503461245 /nfs/dbraw/zinc/46/12/45/503461245.db2.gz SZTZCEWSKHTLBD-UHFFFAOYSA-N -1 3 366.204 3.481 20 0 FGADHM COc1ccc(S(=O)(=O)[N-][C@H](C)[C@H]2CCCOC2)c(Cl)c1Cl ZINC000503763812 503468534 /nfs/dbraw/zinc/46/85/34/503468534.db2.gz JDGQOXUBGKUOTE-ZJUUUORDSA-N -1 3 368.282 3.095 20 0 FGADHM COc1cc(F)c(S(=O)(=O)[N-]CC[C@H]2CCCC[C@@H]2C)cc1OC ZINC000512143369 503468990 /nfs/dbraw/zinc/46/89/90/503468990.db2.gz QLMIFRKHEDDREK-QWHCGFSZSA-N -1 3 359.463 3.338 20 0 FGADHM Cc1cc(C(=O)NCc2cccc(C(=O)NCc3ccco3)c2)ccc1[O-] ZINC000499777863 503480220 /nfs/dbraw/zinc/48/02/20/503480220.db2.gz OTXOMKIZYBHJAT-UHFFFAOYSA-N -1 3 364.401 3.154 20 0 FGADHM CCC1(CC)CN(C(=O)c2cnc3c(cnn3C)c2[O-])c2ccccc21 ZINC000512191432 503481286 /nfs/dbraw/zinc/48/12/86/503481286.db2.gz LFPGXUVNXJKBPK-UHFFFAOYSA-N -1 3 350.422 3.392 20 0 FGADHM O=S(=O)([N-]CCc1cc(F)c(F)c(F)c1)c1ccc(Cl)s1 ZINC000503888472 503483848 /nfs/dbraw/zinc/48/38/48/503483848.db2.gz YJROKNGJSSZZRD-UHFFFAOYSA-N -1 3 355.790 3.340 20 0 FGADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3ccncc3C(F)(F)F)cc2)n1 ZINC000508412618 503489843 /nfs/dbraw/zinc/48/98/43/503489843.db2.gz RITLCJIVKQLTIE-UHFFFAOYSA-N -1 3 374.322 3.411 20 0 FGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2CCCCC[C@H]2C)cc1OC ZINC000512248337 503498132 /nfs/dbraw/zinc/49/81/32/503498132.db2.gz FSGYHHXPCOXBJF-CYBMUJFWSA-N -1 3 369.487 3.253 20 0 FGADHM COc1ccc2ccccc2c1CNC(=O)c1cc(F)cc2nn[n-]c21 ZINC000503992597 503506420 /nfs/dbraw/zinc/50/64/20/503506420.db2.gz VLJVECATLJCAKU-UHFFFAOYSA-N -1 3 350.353 3.189 20 0 FGADHM COc1ccc2ccccc2c1CNC(=O)c1cc(F)cc2[n-]nnc21 ZINC000503992597 503506425 /nfs/dbraw/zinc/50/64/25/503506425.db2.gz VLJVECATLJCAKU-UHFFFAOYSA-N -1 3 350.353 3.189 20 0 FGADHM COc1ccc2ccccc2c1CNC(=O)c1cc(F)cc2n[n-]nc21 ZINC000503992597 503506429 /nfs/dbraw/zinc/50/64/29/503506429.db2.gz VLJVECATLJCAKU-UHFFFAOYSA-N -1 3 350.353 3.189 20 0 FGADHM CCOc1ccc(OCCCC(=O)N=c2cc(-c3ccncc3)[n-][nH]2)cc1 ZINC000512285331 503509686 /nfs/dbraw/zinc/50/96/86/503509686.db2.gz LVPJWVYDPBEIEO-UHFFFAOYSA-N -1 3 366.421 3.090 20 0 FGADHM O=C(Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1)c1nc[n-]n1 ZINC000512303171 503514046 /nfs/dbraw/zinc/51/40/46/503514046.db2.gz QZUMZJNGXUWVLZ-UHFFFAOYSA-N -1 3 353.329 3.123 20 0 FGADHM O=C(Nc1ccc(Oc2nncc3ccccc32)c(Cl)c1)c1nc[n-]n1 ZINC000512331660 503522265 /nfs/dbraw/zinc/52/22/65/503522265.db2.gz ZTVMKYZBWJFOHO-UHFFFAOYSA-N -1 3 366.768 3.446 20 0 FGADHM O=C(CCCc1ccc(Cl)c(Cl)c1)N1CCc2c(=O)[n-]cnc2C1 ZINC000504150214 503531405 /nfs/dbraw/zinc/53/14/05/503531405.db2.gz VZAZFGGJHZNMPG-UHFFFAOYSA-N -1 3 366.248 3.397 20 0 FGADHM COC(=O)c1cc(C2CCN(Cc3cc([O-])ccc3Cl)CC2)no1 ZINC000603001800 506377560 /nfs/dbraw/zinc/37/75/60/506377560.db2.gz 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/nfs/dbraw/zinc/01/81/62/504018162.db2.gz AYWCNJJSYDQZCG-HXUWFJFHSA-N -1 3 374.356 3.204 20 0 FGADHM Cc1ccc(-c2nnc(NC(=O)c3cc(-c4cnn(C)c4)ccc3F)[n-]2)o1 ZINC000541166188 504028879 /nfs/dbraw/zinc/02/88/79/504028879.db2.gz VWYYXVNFSIYZRD-UHFFFAOYSA-N -1 3 366.356 3.165 20 0 FGADHM Cc1ccc(-c2n[n-]c(NC(=O)c3cc(-c4cnn(C)c4)ccc3F)n2)o1 ZINC000541166188 504028884 /nfs/dbraw/zinc/02/88/84/504028884.db2.gz VWYYXVNFSIYZRD-UHFFFAOYSA-N -1 3 366.356 3.165 20 0 FGADHM Cc1ccc(-c2nc(NC(=O)c3cc(-c4cnn(C)c4)ccc3F)n[n-]2)o1 ZINC000541166188 504028889 /nfs/dbraw/zinc/02/88/89/504028889.db2.gz VWYYXVNFSIYZRD-UHFFFAOYSA-N -1 3 366.356 3.165 20 0 FGADHM CCOc1cc([N-]S(=O)(=O)c2ccc(OC)c(F)c2C)ccc1OC ZINC000541165721 504029016 /nfs/dbraw/zinc/02/90/16/504029016.db2.gz UMHWGFOFIPMDJU-UHFFFAOYSA-N -1 3 369.414 3.351 20 0 FGADHM CC(C)(C)OC(=O)CSCC(=O)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000530637628 504035319 /nfs/dbraw/zinc/03/53/19/504035319.db2.gz KNTAWJFBWCCTIZ-UHFFFAOYSA-N -1 3 365.373 3.424 20 0 FGADHM O=C(Cc1csc(NC(=O)c2ccco2)n1)Nc1cc(F)ccc1[O-] ZINC000530658115 504042393 /nfs/dbraw/zinc/04/23/93/504042393.db2.gz RFEBWTDCPQXFMI-UHFFFAOYSA-N -1 3 361.354 3.014 20 0 FGADHM CCOC(=O)c1ccc(NC(=O)c2cc(C)ccc2-n2ccnc2)c([O-])c1 ZINC000537824371 504054887 /nfs/dbraw/zinc/05/48/87/504054887.db2.gz BGKRZMPJRVDPSN-UHFFFAOYSA-N -1 3 365.389 3.315 20 0 FGADHM CCOC(=O)c1ccc(NC(=O)c2ccc(-c3ccco3)[nH]c2=O)c([O-])c1 ZINC000537826833 504055621 /nfs/dbraw/zinc/05/56/21/504055621.db2.gz UYCKMBLRPNRSHY-UHFFFAOYSA-N -1 3 368.345 3.182 20 0 FGADHM CCCc1csc(NC(=O)c2c[n-]nc2-c2ccc3c(c2)OCO3)n1 ZINC000544240243 504056970 /nfs/dbraw/zinc/05/69/70/504056970.db2.gz AJZDCMHJOHTIKN-UHFFFAOYSA-N -1 3 356.407 3.467 20 0 FGADHM COC(=O)[C@@H](C)[C@H]([N-]S(=O)(=O)c1cc2ccccc2o1)c1ccccc1 ZINC000530771330 504083414 /nfs/dbraw/zinc/08/34/14/504083414.db2.gz UEZZHCJMIIJJAJ-UGSOOPFHSA-N -1 3 373.430 3.262 20 0 FGADHM COc1ccc([C@@H](OC)[C@@H](C)NC(=O)c2cc(=O)c3ccccc3[n-]2)cc1 ZINC000537923473 504083893 /nfs/dbraw/zinc/08/38/93/504083893.db2.gz BIAFAVQVZONIDC-XCLFUZPHSA-N -1 3 366.417 3.043 20 0 FGADHM CCC[C@]1(CO)CCCN1C(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000518886608 504085250 /nfs/dbraw/zinc/08/52/50/504085250.db2.gz HMRFPRFYLWQMFB-HXUWFJFHSA-N -1 3 370.453 3.317 20 0 FGADHM O=C(c1cc(=O)c2cc(Br)ccc2[n-]1)N1CC[C@@H](C2CC2)C1 ZINC000534284791 504095823 /nfs/dbraw/zinc/09/58/23/504095823.db2.gz GSLHGLDPNPASMP-LLVKDONJSA-N -1 3 361.239 3.163 20 0 FGADHM CCCCS[C@@H](C)c1nc(-c2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)no1 ZINC000544372755 504107559 /nfs/dbraw/zinc/10/75/59/504107559.db2.gz HMLYYLRTJIMFDZ-VOJFVSQTSA-N -1 3 374.466 3.386 20 0 FGADHM C[C@@]1(c2cccc(-c3noc(C=Cc4ccsc4)n3)c2)NC(=O)[N-]C1=O ZINC000544377667 504108584 /nfs/dbraw/zinc/10/85/84/504108584.db2.gz AWJDLOSRNAVOFZ-XFHJGTJQSA-N -1 3 366.402 3.023 20 0 FGADHM COc1ccc(-c2nnc([N-]C(=O)c3cccc4nccnc43)s2)cc1 ZINC000544411343 504122743 /nfs/dbraw/zinc/12/27/43/504122743.db2.gz AQBWRFCHRXXKHL-UHFFFAOYSA-N -1 3 363.402 3.409 20 0 FGADHM 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/nfs/dbraw/zinc/16/20/74/504162074.db2.gz HKSGWDFFIWZUAZ-SFHVURJKSA-N -1 3 356.397 3.015 20 0 FGADHM COc1ccc(CCC(=O)Nc2nc(C)ccc2[O-])cc1Br ZINC000541534227 504167135 /nfs/dbraw/zinc/16/71/35/504167135.db2.gz RCLWYVOIKKNYGH-UHFFFAOYSA-N -1 3 365.227 3.438 20 0 FGADHM COc1cccc(OC(F)(F)F)c1S(=O)(=O)[N-][C@@H]1CCC[C@@H]1C ZINC000528323685 504169826 /nfs/dbraw/zinc/16/98/26/504169826.db2.gz QNJSJOQRDQIYCL-VHSXEESVSA-N -1 3 353.362 3.061 20 0 FGADHM CCc1ccnc(C[N-]S(=O)(=O)c2cccc(Br)c2F)c1 ZINC000541555795 504174768 /nfs/dbraw/zinc/17/47/68/504174768.db2.gz JDODSJLZEMJDSC-UHFFFAOYSA-N -1 3 373.247 3.024 20 0 FGADHM CO[C@H](c1ccccc1F)[C@H](C)[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000538282499 504186903 /nfs/dbraw/zinc/18/69/03/504186903.db2.gz GWBRGUKUUUBWLJ-QFYYESIMSA-N -1 3 359.369 3.158 20 0 FGADHM O=C(N=c1cc(-c2ccccc2)o[n-]1)c1cccn(Cc2ccccc2)c1=O ZINC000531118892 504195713 /nfs/dbraw/zinc/19/57/13/504195713.db2.gz MXSYQPXXVRMWSK-UHFFFAOYSA-N -1 3 371.396 3.226 20 0 FGADHM 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c1ccc(-c2nnc(CCCc3nc(-c4ccc5n[n-]nc5c4)no3)o2)cc1 ZINC000519617543 504275053 /nfs/dbraw/zinc/27/50/53/504275053.db2.gz REUCDEDUBWDEPH-UHFFFAOYSA-N -1 3 373.376 3.233 20 0 FGADHM Cn1cnc(S(=O)(=O)[N-][C@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)c1 ZINC000538536922 504277917 /nfs/dbraw/zinc/27/79/17/504277917.db2.gz GNILHDDMYHPAOE-KGLIPLIRSA-N -1 3 373.400 3.054 20 0 FGADHM Cc1nc(CCNC(=O)c2c[n-]nc2-c2ccc(Cl)s2)c(C)o1 ZINC000547978804 504281161 /nfs/dbraw/zinc/28/11/61/504281161.db2.gz KQSVHUOXJRRXJK-UHFFFAOYSA-N -1 3 350.831 3.369 20 0 FGADHM O=C(N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000531373162 504282790 /nfs/dbraw/zinc/28/27/90/504282790.db2.gz GCRQRSPRUJUZOD-JYAVWHMHSA-N -1 3 364.218 3.385 20 0 FGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@@H](C)[C@H]3CCCOC3)s2)cs1 ZINC000541870073 504283036 /nfs/dbraw/zinc/28/30/36/504283036.db2.gz WAAKIMDORZPIFG-JQWIXIFHSA-N -1 3 372.537 3.273 20 0 FGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)c2ccc(SC)cc2)s1 ZINC000544864312 504284676 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/nfs/dbraw/zinc/70/63/25/504706325.db2.gz NOKWHEATOPZYEI-UHFFFAOYSA-N -1 3 360.421 3.135 20 0 FGADHM CCSCC[C@H](C)[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000543070194 504710988 /nfs/dbraw/zinc/71/09/88/504710988.db2.gz VWUTWFTVZUMUQX-VIFPVBQESA-N -1 3 370.309 3.398 20 0 FGADHM CCN1CCN(c2ccc(C(=O)Nc3ccc(F)cc3[O-])cc2F)CC1 ZINC000532621089 504713453 /nfs/dbraw/zinc/71/34/53/504713453.db2.gz VTVOUYFTZOCSNG-UHFFFAOYSA-N -1 3 361.392 3.065 20 0 FGADHM CCc1cccc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C)cc2)c1[O-] ZINC000539841371 504713571 /nfs/dbraw/zinc/71/35/71/504713571.db2.gz YJWVIGUAQUEBCR-QGZVFWFLSA-N -1 3 370.474 3.417 20 0 FGADHM COC(=O)c1ccc(F)c([N-]C(=O)c2cnc(-c3cccnc3)s2)c1 ZINC000536383815 504718403 /nfs/dbraw/zinc/71/84/03/504718403.db2.gz VBEWRUBKLCUGQF-UHFFFAOYSA-N -1 3 357.366 3.383 20 0 FGADHM Cc1noc2ncc(NC(=O)c3c[n-]c4c(C)cc(F)cc4c3=O)cc12 ZINC000532649176 504723400 /nfs/dbraw/zinc/72/34/00/504723400.db2.gz IACWMTIZKTXROX-UHFFFAOYSA-N -1 3 352.325 3.073 20 0 FGADHM O=C(CNC(=O)C1CC1)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000539873739 504724789 /nfs/dbraw/zinc/72/47/89/504724789.db2.gz QGSBCUXKUSINCO-UHFFFAOYSA-N -1 3 367.430 3.134 20 0 FGADHM CC(C)Cc1ccccc1CNC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000529570075 504731359 /nfs/dbraw/zinc/73/13/59/504731359.db2.gz MPVHKALQPRVPBZ-UHFFFAOYSA-N -1 3 360.479 3.187 20 0 FGADHM CCOC(=O)c1[n-]c(C)nc1NC(=O)c1cccc(C(=O)OC(C)(C)C)c1 ZINC000539913182 504737802 /nfs/dbraw/zinc/73/78/02/504737802.db2.gz YSAVVUAVWONDCV-UHFFFAOYSA-N -1 3 373.409 3.102 20 0 FGADHM CCOC(=O)c1nc(C)[n-]c1NC(=O)c1cccc(C(=O)OC(C)(C)C)c1 ZINC000539913182 504737806 /nfs/dbraw/zinc/73/78/06/504737806.db2.gz YSAVVUAVWONDCV-UHFFFAOYSA-N -1 3 373.409 3.102 20 0 FGADHM CCOC(=O)c1nc[n-]c1NC(=O)COc1ccccc1-c1ccccc1 ZINC000539956916 504747805 /nfs/dbraw/zinc/74/78/05/504747805.db2.gz WFBGGVSTONUTCR-UHFFFAOYSA-N -1 3 365.389 3.271 20 0 FGADHM CCOC(=O)c1[n-]cnc1NC(=O)COc1ccccc1-c1ccccc1 ZINC000539956916 504747809 /nfs/dbraw/zinc/74/78/09/504747809.db2.gz WFBGGVSTONUTCR-UHFFFAOYSA-N -1 3 365.389 3.271 20 0 FGADHM COCCc1noc(CC2CCN(Cc3cccc([O-])c3Cl)CC2)n1 ZINC000529642830 504751080 /nfs/dbraw/zinc/75/10/80/504751080.db2.gz OASRNEZNPZWYOC-UHFFFAOYSA-N -1 3 365.861 3.072 20 0 FGADHM COc1ccc(F)cc1[C@@H](C)[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000521557543 504756779 /nfs/dbraw/zinc/75/67/79/504756779.db2.gz LKTXABHLOZNJDT-MRVPVSSYSA-N -1 3 363.332 3.291 20 0 FGADHM COC(=O)c1cc(S(=O)(=O)[N-]CCc2cccc3ccccc32)c(C)o1 ZINC000532853911 504767389 /nfs/dbraw/zinc/76/73/89/504767389.db2.gz PIPDVFLDEWPBBP-UHFFFAOYSA-N -1 3 373.430 3.049 20 0 FGADHM CCOc1nc2cc(C(=O)N3CC(COc4ccccc4)C3)ccc2[n-]1 ZINC000562339446 504788012 /nfs/dbraw/zinc/78/80/12/504788012.db2.gz WKAZTLKVZKEOPY-UHFFFAOYSA-N -1 3 351.406 3.113 20 0 FGADHM CCOc1nc2ccc(C(=O)N3CC(COc4ccccc4)C3)cc2[n-]1 ZINC000562339446 504788015 /nfs/dbraw/zinc/78/80/15/504788015.db2.gz WKAZTLKVZKEOPY-UHFFFAOYSA-N -1 3 351.406 3.113 20 0 FGADHM Cc1cc(S(=O)(=O)[N-][C@H](c2nccs2)C(F)(F)F)cc(C)c1F ZINC000559138680 504789580 /nfs/dbraw/zinc/78/95/80/504789580.db2.gz NBFJGTJPTYFSBH-LLVKDONJSA-N -1 3 368.377 3.481 20 0 FGADHM O=C([O-])[C@@H]1CC12CCN(Cc1ccc(OCc3ccccn3)cc1)CC2 ZINC000565100707 504792902 /nfs/dbraw/zinc/79/29/02/504792902.db2.gz BURBPERDFRICMU-IBGZPJMESA-N -1 3 352.434 3.347 20 0 FGADHM O=C([O-])C1(CN2CCC[C@H]2c2ccccc2I)CC1 ZINC000565105955 504794754 /nfs/dbraw/zinc/79/47/54/504794754.db2.gz VAJUJXUVEWNALG-ZDUSSCGKSA-N -1 3 371.218 3.293 20 0 FGADHM Cn1cc(-c2nc(C(=O)[N-]c3cc(C4(C)CCCC4)on3)cs2)cn1 ZINC000556109646 504798780 /nfs/dbraw/zinc/79/87/80/504798780.db2.gz QNNCFRSSTWGQFQ-UHFFFAOYSA-N -1 3 357.439 3.038 20 0 FGADHM O=C(N=c1cc2ccccn2[n-]1)c1cc(F)c(F)cc1Br ZINC000553000522 504801818 /nfs/dbraw/zinc/80/18/18/504801818.db2.gz LCLADSAIWDLIQI-UHFFFAOYSA-N -1 3 352.138 3.049 20 0 FGADHM O=C(N[C@@H](CCO)c1ccc(Cl)c(Cl)c1)c1cccc2nn[n-]c21 ZINC000553101463 504827622 /nfs/dbraw/zinc/82/76/22/504827622.db2.gz KWRHUXBQHHKOEY-ZDUSSCGKSA-N -1 3 365.220 3.118 20 0 FGADHM O=C(N[C@@H](CCO)c1ccc(Cl)c(Cl)c1)c1cccc2[n-]nnc21 ZINC000553101463 504827624 /nfs/dbraw/zinc/82/76/24/504827624.db2.gz KWRHUXBQHHKOEY-ZDUSSCGKSA-N -1 3 365.220 3.118 20 0 FGADHM O=C(N[C@@H](CCO)c1ccc(Cl)c(Cl)c1)c1cccc2n[n-]nc21 ZINC000553101463 504827627 /nfs/dbraw/zinc/82/76/27/504827627.db2.gz KWRHUXBQHHKOEY-ZDUSSCGKSA-N -1 3 365.220 3.118 20 0 FGADHM [O-]c1cccnc1CSc1nnc(N2CCCCC2)n1Cc1ccco1 ZINC000565237774 504832131 /nfs/dbraw/zinc/83/21/31/504832131.db2.gz LILTVMSHDMPCTA-UHFFFAOYSA-N -1 3 371.466 3.303 20 0 FGADHM C[C@@]1(CN=c2[n-]nc(-c3ccon3)s2)CCCN1Cc1ccccc1 ZINC000553207420 504851850 /nfs/dbraw/zinc/85/18/50/504851850.db2.gz JVXJERFWZWIXEH-SFHVURJKSA-N -1 3 355.467 3.082 20 0 FGADHM COC[C@H]([N-]S(=O)(=O)c1c(C)n(C)c2ccccc21)c1ccc(C)o1 ZINC000556376445 504858400 /nfs/dbraw/zinc/85/84/00/504858400.db2.gz YMACMLOORBFPMB-HNNXBMFYSA-N -1 3 362.451 3.054 20 0 FGADHM CCCS(=O)(=O)[N-]c1cc(NC(=O)[C@]2(C)C[C@H]3C[C@H]3C2)c(F)cc1F ZINC000559449121 504865859 /nfs/dbraw/zinc/86/58/59/504865859.db2.gz MYNLXGJRFOCYTH-YQYWCBKUSA-N -1 3 372.437 3.491 20 0 FGADHM O=C([N-]c1csc(-c2ccncc2)n1)c1csc(-c2cnccn2)n1 ZINC000549726539 504882262 /nfs/dbraw/zinc/88/22/62/504882262.db2.gz XQYOIYCHHOXBSZ-UHFFFAOYSA-N -1 3 366.431 3.371 20 0 FGADHM COCCN(C)CC[C@H](N=c1[n-]nc(C(F)F)s1)c1ccccc1 ZINC000565502003 504905614 /nfs/dbraw/zinc/90/56/14/504905614.db2.gz HUKFHADKGAGXRB-ZDUSSCGKSA-N -1 3 356.442 3.019 20 0 FGADHM O=S(=O)([N-]CC1CCC1)c1cc(Br)cc2cccnc21 ZINC000553436367 504914608 /nfs/dbraw/zinc/91/46/08/504914608.db2.gz XRYVPXUZZLJUDO-UHFFFAOYSA-N -1 3 355.257 3.076 20 0 FGADHM O=S(=O)([N-]C[C@@H]1C[C@H]1c1ccccc1)c1cccnc1C(F)(F)F ZINC000549911451 504931604 /nfs/dbraw/zinc/93/16/04/504931604.db2.gz ZUTWNNKZYJMWKW-STQMWFEESA-N -1 3 356.369 3.182 20 0 FGADHM C[C@H]1CCCc2nc(S(=O)(=O)[N-][C@H]3C[C@H](c4ccc(F)cc4)C3)cn21 ZINC000562783552 504944170 /nfs/dbraw/zinc/94/41/70/504944170.db2.gz MCQHAEQZJKMQMJ-NOLJZWGESA-N -1 3 363.458 3.144 20 0 FGADHM O=S(=O)([N-][C@H]1CC[C@@H](F)C1)c1ccc(Br)cc1Cl ZINC000553548110 504945268 /nfs/dbraw/zinc/94/52/68/504945268.db2.gz VXQTZVNGOLDYJY-BDAKNGLRSA-N -1 3 356.644 3.271 20 0 FGADHM CCOC(=O)CC[C@@H](C)Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000550006680 504950179 /nfs/dbraw/zinc/95/01/79/504950179.db2.gz YTBGSADNONGFMZ-GFCCVEGCSA-N -1 3 372.450 3.345 20 0 FGADHM CC(C)(CNC(=O)c1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1)C1CCCCC1 ZINC000556720302 504953129 /nfs/dbraw/zinc/95/31/29/504953129.db2.gz BZMWHJLRAULTFX-OAQYLSRUSA-N -1 3 371.481 3.078 20 0 FGADHM O=C([O-])[C@@]1(NCc2ccc(OCC(F)F)cc2)CCc2c1cccc2F ZINC000559980268 504963146 /nfs/dbraw/zinc/96/31/46/504963146.db2.gz GUYYGGLSZFZUAK-LJQANCHMSA-N -1 3 365.351 3.486 20 0 FGADHM CC1CCN(CCC[N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)CC1 ZINC000560010605 504969765 /nfs/dbraw/zinc/96/97/65/504969765.db2.gz YHGQLJUMEVWBAD-UHFFFAOYSA-N -1 3 366.861 3.019 20 0 FGADHM CCOc1cc(CNCc2n[nH]cc2Br)cc(Cl)c1[O-] ZINC000556785332 504973848 /nfs/dbraw/zinc/97/38/48/504973848.db2.gz UZZDWYMUJVEGSN-UHFFFAOYSA-N -1 3 360.639 3.220 20 0 FGADHM C[C@@]1(CO)CCCN1Cc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000556814041 504982337 /nfs/dbraw/zinc/98/23/37/504982337.db2.gz CKANWMBLIRJWJY-IBGZPJMESA-N -1 3 355.463 3.411 20 0 FGADHM [O-]c1coc2cc(OC[C@H](O)COc3ccc4ccccc4c3)ccc12 ZINC000550176863 504985557 /nfs/dbraw/zinc/98/55/57/504985557.db2.gz LXTKLRLBTQPXIO-MRXNPFEDSA-N -1 3 350.370 3.234 20 0 FGADHM CC(C)N(C)C[C@H](C)NC(=O)N=c1[n-]nc(-c2cccc(Cl)c2)s1 ZINC000565802984 504991519 /nfs/dbraw/zinc/99/15/19/504991519.db2.gz MCGFQCRHRHNCKH-NSHDSACASA-N -1 3 367.906 3.131 20 0 FGADHM O=C(Nc1cc(Cc2ccccc2)ccc1[O-])c1ccc2[nH]c(=O)[nH]c2n1 ZINC000550280421 505011143 /nfs/dbraw/zinc/01/11/43/505011143.db2.gz MXRGAZZMSFMUHW-UHFFFAOYSA-N -1 3 360.373 3.212 20 0 FGADHM O=S(=O)([N-]C1(c2ccccc2)CCC1)c1cncc(Br)c1 ZINC000553835541 505022195 /nfs/dbraw/zinc/02/21/95/505022195.db2.gz WINNMGRHIOXBCQ-UHFFFAOYSA-N -1 3 367.268 3.202 20 0 FGADHM O=C(Nc1cc(Br)ccc1[O-])c1cnnn1Cc1ccccc1 ZINC000556952292 505028874 /nfs/dbraw/zinc/02/88/74/505028874.db2.gz WHXZVAVIJVVNGD-UHFFFAOYSA-N -1 3 373.210 3.047 20 0 FGADHM Cc1ncc(CNC(=O)N[C@@H](c2ccc(F)c(Cl)c2)C2CC2)c(=O)[n-]1 ZINC000563089696 505045299 /nfs/dbraw/zinc/04/52/99/505045299.db2.gz YKROAXGFLSNZBB-OAHLLOKOSA-N -1 3 364.808 3.234 20 0 FGADHM CC(=O)c1cccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)c1[O-] ZINC000566001354 505051384 /nfs/dbraw/zinc/05/13/84/505051384.db2.gz WEEHGQGZAYWWKI-LBPRGKRZSA-N -1 3 372.808 3.240 20 0 FGADHM CC(=O)c1cccc(NC(=O)[C@@H]2CCc3[nH]nc(C(F)(F)F)c3C2)c1[O-] ZINC000563193938 505072220 /nfs/dbraw/zinc/07/22/20/505072220.db2.gz IXNJBJCDGHAQBW-SECBINFHSA-N -1 3 367.327 3.080 20 0 FGADHM Cc1sc(NC[C@@H](c2ccccc2)N2CCC(C)CC2)nc1C(=O)[O-] ZINC000563205171 505075839 /nfs/dbraw/zinc/07/58/39/505075839.db2.gz AMIAHUQWMATBFH-INIZCTEOSA-N -1 3 359.495 3.457 20 0 FGADHM Cc1nc(C)c(CC(=O)N[C@@H]2C[C@@H](C)C[C@H](c3ccccc3)C2)c(=O)[n-]1 ZINC000563267339 505091637 /nfs/dbraw/zinc/09/16/37/505091637.db2.gz FVYUUVKHGSBDNF-DOPJRALCSA-N -1 3 353.466 3.430 20 0 FGADHM O=C(C[C@H]1CCCN1C(=O)c1cc(=O)[n-]c(C2CC2)n1)c1ccc(F)cc1 ZINC000563376470 505125577 /nfs/dbraw/zinc/12/55/77/505125577.db2.gz ACQQXGVONCULOU-OAHLLOKOSA-N -1 3 369.396 3.076 20 0 FGADHM O=C(Cc1cncc([O-])c1)Nc1cccc(NC(=O)C2CCCCC2)c1 ZINC000563412899 505136205 /nfs/dbraw/zinc/13/62/05/505136205.db2.gz VQNASUFYSKETHQ-UHFFFAOYSA-N -1 3 353.422 3.487 20 0 FGADHM COC(=O)c1cc(C(=O)Nc2cccc3cc(Br)cnc32)c[n-]1 ZINC000560593441 505137478 /nfs/dbraw/zinc/13/74/78/505137478.db2.gz LPUVSUZTMKBGPY-UHFFFAOYSA-N -1 3 374.194 3.364 20 0 FGADHM Cc1[nH]c(=O)c(Br)cc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000560597410 505138969 /nfs/dbraw/zinc/13/89/69/505138969.db2.gz GAGJFYCZGVGVSU-UHFFFAOYSA-N -1 3 357.591 3.469 20 0 FGADHM COc1ccc([O-])c(C(=O)NC[C@@H](NCc2ccccc2)c2ccco2)c1 ZINC000557459703 505140345 /nfs/dbraw/zinc/14/03/45/505140345.db2.gz NBTDESUVTSEHBE-GOSISDBHSA-N -1 3 366.417 3.255 20 0 FGADHM O=C([O-])[C@@H](c1cccnc1)N1CCC(c2nc3c(s2)CCCC3)CC1 ZINC000566363264 505153415 /nfs/dbraw/zinc/15/34/15/505153415.db2.gz ZPQITZFSLSKXRX-QGZVFWFLSA-N -1 3 357.479 3.422 20 0 FGADHM COC(=O)c1c(Cl)cccc1S(=O)(=O)[N-][C@@H](C)Cc1ccsc1 ZINC000563520235 505165540 /nfs/dbraw/zinc/16/55/40/505165540.db2.gz LXIXFIWXBRMZLD-JTQLQIEISA-N -1 3 373.883 3.098 20 0 FGADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H](C2CC2)C2CCC2)cc1Cl ZINC000563527047 505166874 /nfs/dbraw/zinc/16/68/74/505166874.db2.gz PCIOQIHTUWQFGD-MRXNPFEDSA-N -1 3 374.865 3.295 20 0 FGADHM C[C@H](NC(=O)N=c1cc2ccccn2[n-]1)c1ccc(Br)cc1 ZINC000554442192 505175432 /nfs/dbraw/zinc/17/54/32/505175432.db2.gz LQLQVLQOSJICKR-NSHDSACASA-N -1 3 359.227 3.401 20 0 FGADHM CCCCc1nc(C(=O)OCC)c(NC(=O)c2cccnc2OC(C)C)[n-]1 ZINC000551285465 505193165 /nfs/dbraw/zinc/19/31/65/505193165.db2.gz CAUBHKOTGWLMBL-UHFFFAOYSA-N -1 3 374.441 3.364 20 0 FGADHM CCCCc1nc(NC(=O)c2cccnc2OC(C)C)c(C(=O)OCC)[n-]1 ZINC000551285465 505193169 /nfs/dbraw/zinc/19/31/69/505193169.db2.gz CAUBHKOTGWLMBL-UHFFFAOYSA-N -1 3 374.441 3.364 20 0 FGADHM Cc1cc(=O)c(C(=O)Nc2c([O-])cccc2Cl)nn1-c1ccccc1F ZINC000560820511 505194089 /nfs/dbraw/zinc/19/40/89/505194089.db2.gz UZZKKPBMWSKSRP-UHFFFAOYSA-N -1 3 373.771 3.291 20 0 FGADHM Cn1[n-]c(=NC(=O)N[C@@H]2CC[C@@H](c3cccc(F)c3)C2)cc1OC(F)F ZINC000563631687 505197145 /nfs/dbraw/zinc/19/71/45/505197145.db2.gz PMNNXADYDAPSQX-DGCLKSJQSA-N -1 3 368.359 3.040 20 0 FGADHM CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)N=c1cc2ccccn2[n-]1 ZINC000554525902 505197745 /nfs/dbraw/zinc/19/77/45/505197745.db2.gz JARDEVSOVGTXMT-UHFFFAOYSA-N -1 3 364.327 3.319 20 0 FGADHM C[C@](O)(C[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1)C(F)(F)F ZINC000551352160 505206933 /nfs/dbraw/zinc/20/69/33/505206933.db2.gz QISHVSJGYOJZBZ-NSHDSACASA-N -1 3 373.805 3.146 20 0 FGADHM CC1(C)CC(CC(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)C1 ZINC000551404177 505218607 /nfs/dbraw/zinc/21/86/07/505218607.db2.gz IJLBRECCFOEQIV-UHFFFAOYSA-N -1 3 354.447 3.031 20 0 FGADHM CNC(=O)c1ccc(CN[C@@]2(C(=O)[O-])CCC(C)(C)c3ccccc32)cc1 ZINC000551420612 505222103 /nfs/dbraw/zinc/22/21/03/505222103.db2.gz FUTNMSBCNBIJAO-QFIPXVFZSA-N -1 3 366.461 3.187 20 0 FGADHM CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1NC(=O)c1ccc2n[n-]nc2c1 ZINC000557762893 505224346 /nfs/dbraw/zinc/22/43/46/505224346.db2.gz WKUZLBLPXRKHGX-LSBZLQRGSA-N -1 3 350.422 3.039 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3ccccc3-n3ccnc3)c[n-]c12 ZINC000561015831 505230787 /nfs/dbraw/zinc/23/07/87/505230787.db2.gz UHPIYFLNXBFHDO-UHFFFAOYSA-N -1 3 362.364 3.414 20 0 FGADHM CC1(C)CCC[C@]1(O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000561020628 505232466 /nfs/dbraw/zinc/23/24/66/505232466.db2.gz JKDCTYCDCLLBGO-AWEZNQCLSA-N -1 3 352.283 3.213 20 0 FGADHM Cc1cc(NC(=O)CC[N-]S(=O)(=O)c2cccs2)cc(C)c1Cl ZINC000554652165 505232609 /nfs/dbraw/zinc/23/26/09/505232609.db2.gz HKCAKVGIDHPWGE-UHFFFAOYSA-N -1 3 372.899 3.325 20 0 FGADHM CC(C)Oc1ccccc1C[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000557801817 505234349 /nfs/dbraw/zinc/23/43/49/505234349.db2.gz NNMJVZJNMSYVLH-UHFFFAOYSA-N -1 3 374.384 3.366 20 0 FGADHM CCCOc1ccc(-c2nc(C(=O)[N-]c3nc(C)n(C)n3)cs2)cc1 ZINC000557827087 505240031 /nfs/dbraw/zinc/24/00/31/505240031.db2.gz MPWPJIXUPMOVDM-UHFFFAOYSA-N -1 3 357.439 3.288 20 0 FGADHM C[C@@]1([N-]S(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)CC=CCC1 ZINC000561098307 505249658 /nfs/dbraw/zinc/24/96/58/505249658.db2.gz BSEFOUGVKHNECD-MRXNPFEDSA-N -1 3 354.859 3.002 20 0 FGADHM O=C(Nc1ccnc(N2CCc3ccccc3C2)c1)c1cccc2nn[n-]c21 ZINC000561111191 505253399 /nfs/dbraw/zinc/25/33/99/505253399.db2.gz JOSIMCRNTMJDBL-UHFFFAOYSA-N -1 3 370.416 3.168 20 0 FGADHM O=C(Nc1ccnc(N2CCc3ccccc3C2)c1)c1cccc2[n-]nnc21 ZINC000561111191 505253403 /nfs/dbraw/zinc/25/34/03/505253403.db2.gz JOSIMCRNTMJDBL-UHFFFAOYSA-N -1 3 370.416 3.168 20 0 FGADHM O=C(Nc1ccnc(N2CCc3ccccc3C2)c1)c1cccc2n[n-]nc21 ZINC000561111191 505253405 /nfs/dbraw/zinc/25/34/05/505253405.db2.gz JOSIMCRNTMJDBL-UHFFFAOYSA-N -1 3 370.416 3.168 20 0 FGADHM CNc1ccc(Cl)c(C(=O)Nc2n[n-]c(-c3ccccc3OC)n2)c1 ZINC000561140328 505260785 /nfs/dbraw/zinc/26/07/85/505260785.db2.gz ALHWAIVNOZQHKN-UHFFFAOYSA-N -1 3 357.801 3.428 20 0 FGADHM C[C@@H](NC(=O)Cc1cncc([O-])c1)c1cccc(OCc2ccccn2)c1 ZINC000561166328 505269708 /nfs/dbraw/zinc/26/97/08/505269708.db2.gz LPDKUTZUIZHSBC-OAHLLOKOSA-N -1 3 363.417 3.181 20 0 FGADHM COCCCCC[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000563913711 505274451 /nfs/dbraw/zinc/27/44/51/505274451.db2.gz RSHNKQDNZYHKQB-UHFFFAOYSA-N -1 3 370.696 3.198 20 0 FGADHM O=C([N-]c1nncn1-c1cccnc1)c1cc(-c2ccc(Cl)s2)on1 ZINC000557979090 505276849 /nfs/dbraw/zinc/27/68/49/505276849.db2.gz HAOOSXJEMWXFPW-UHFFFAOYSA-N -1 3 372.797 3.285 20 0 FGADHM CCN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2cc(F)ccc2Cl)c1 ZINC000558039751 505294798 /nfs/dbraw/zinc/29/47/98/505294798.db2.gz XQPDMDAILUKOGX-UHFFFAOYSA-N -1 3 370.833 3.372 20 0 FGADHM CCc1nc(C)c([C@H](C)N(C)C(=O)c2c[n-]c3ccncc3c2=O)s1 ZINC000561259884 505296882 /nfs/dbraw/zinc/29/68/82/505296882.db2.gz XDQZZKLWUPZWKL-NSHDSACASA-N -1 3 356.451 3.084 20 0 FGADHM CC(C)[C@H](CNC(=O)CNC(=O)c1cccc([O-])c1)c1ccc(Cl)cc1 ZINC000561323714 505314302 /nfs/dbraw/zinc/31/43/02/505314302.db2.gz IWZNBJBLXLPTTA-SFHVURJKSA-N -1 3 374.868 3.331 20 0 FGADHM O=C(c1c[n-]c2ccncc2c1=O)N1CCc2c1cccc2C(F)(F)F ZINC000561337301 505318522 /nfs/dbraw/zinc/31/85/22/505318522.db2.gz BKOACRHTHLBWSA-UHFFFAOYSA-N -1 3 359.307 3.145 20 0 FGADHM CCC[C@H](CC)[N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1OC ZINC000564075677 505319227 /nfs/dbraw/zinc/31/92/27/505319227.db2.gz ROGSIVBXPFYWED-NSHDSACASA-N -1 3 362.879 3.164 20 0 FGADHM O=C([N-]c1nc2n(n1)CCCC2)c1csc(Cc2ccccc2F)n1 ZINC000566958757 505323316 /nfs/dbraw/zinc/32/33/16/505323316.db2.gz XMMMGCNSIMTTDF-UHFFFAOYSA-N -1 3 357.414 3.053 20 0 FGADHM CCCCc1nc(C(=O)OCC)c(NC(=O)c2nc(C3CC3)oc2C)[n-]1 ZINC000566975460 505328172 /nfs/dbraw/zinc/32/81/72/505328172.db2.gz BXYPAKIZBRLSAF-UHFFFAOYSA-N -1 3 360.414 3.355 20 0 FGADHM CCCCc1nc(NC(=O)c2nc(C3CC3)oc2C)c(C(=O)OCC)[n-]1 ZINC000566975460 505328176 /nfs/dbraw/zinc/32/81/76/505328176.db2.gz BXYPAKIZBRLSAF-UHFFFAOYSA-N -1 3 360.414 3.355 20 0 FGADHM Cc1nc(-c2ccc(NC(=O)Nc3cc(CC(C)C)[nH]n3)cc2)cc(=O)[n-]1 ZINC000561410638 505338735 /nfs/dbraw/zinc/33/87/35/505338735.db2.gz YFIIPMLKCBLTEK-UHFFFAOYSA-N -1 3 366.425 3.145 20 0 FGADHM COCc1ccc(OC)c(S(=O)(=O)[N-][C@H](C(C)(C)C)C(F)(F)F)c1 ZINC000551951494 505352446 /nfs/dbraw/zinc/35/24/46/505352446.db2.gz WWGLUPCIXYNRHC-CYBMUJFWSA-N -1 3 369.405 3.097 20 0 FGADHM Cn1cnc([N-]C(=O)c2csc(-c3ccc(Cl)cc3Cl)n2)n1 ZINC000558350926 505365844 /nfs/dbraw/zinc/36/58/44/505365844.db2.gz BPBSRONDBSLSKT-UHFFFAOYSA-N -1 3 354.222 3.498 20 0 FGADHM C[C@H](C[N-]S(=O)(=O)c1cccnc1C(F)(F)F)Cc1cccs1 ZINC000561520439 505367089 /nfs/dbraw/zinc/36/70/89/505367089.db2.gz BTECXHWHWSNVJT-JTQLQIEISA-N -1 3 364.414 3.319 20 0 FGADHM C[C@H](C1CC1)n1cc([N-]S(=O)(=O)CCc2cccc(Cl)c2)cn1 ZINC000552029299 505375026 /nfs/dbraw/zinc/37/50/26/505375026.db2.gz CMJYOMDIXFPSJN-GFCCVEGCSA-N -1 3 353.875 3.492 20 0 FGADHM COc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2c3ccc(F)cc3O[C@H]2C)c1 ZINC000561556874 505376507 /nfs/dbraw/zinc/37/65/07/505376507.db2.gz XYEBOQVZDFLERF-FVMDXXJSSA-N -1 3 371.817 3.288 20 0 FGADHM Cc1c2ccc([N-]S(=O)(=O)CCC3Cc4ccccc4C3)cc2nn1C ZINC000564334674 505387554 /nfs/dbraw/zinc/38/75/54/505387554.db2.gz JNYKXQANJHPQJP-UHFFFAOYSA-N -1 3 369.490 3.429 20 0 FGADHM O=C(N=c1cc2ccccn2[n-]1)N[C@H]1c2ccccc2CC[C@H]1n1ccnc1 ZINC000558463934 505397542 /nfs/dbraw/zinc/39/75/42/505397542.db2.gz MZKIUILHKGZJQB-QUCCMNQESA-N -1 3 372.432 3.003 20 0 FGADHM C[C@H]1Oc2ccccc2[C@H]1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000564371013 505397794 /nfs/dbraw/zinc/39/77/94/505397794.db2.gz PPQUUJUYAFLLCT-OQPBUACISA-N -1 3 374.281 3.311 20 0 FGADHM COc1ccccc1SC[C@H](C)CNC(=O)N=c1cc2ccccn2[n-]1 ZINC000558464185 505398153 /nfs/dbraw/zinc/39/81/53/505398153.db2.gz WZCRULVRIQJQCQ-CQSZACIVSA-N -1 3 370.478 3.315 20 0 FGADHM C[C@H](NC(=O)N=c1cc2ccccn2[n-]1)c1nc(C(F)(F)F)cs1 ZINC000558465057 505398357 /nfs/dbraw/zinc/39/83/57/505398357.db2.gz MFSAOPZBSRZVNS-QMMMGPOBSA-N -1 3 355.345 3.114 20 0 FGADHM O=S(=O)([N-][C@@H](CO)C1CCCC1)c1cc(Cl)ccc1C(F)(F)F ZINC000564376147 505399832 /nfs/dbraw/zinc/39/98/32/505399832.db2.gz CEWSUYJDOLZMFJ-LBPRGKRZSA-N -1 3 371.808 3.188 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1cscn1)c1ccc(OCC2CC2)c(F)c1 ZINC000567230757 505402232 /nfs/dbraw/zinc/40/22/32/505402232.db2.gz GNAPXOCACOGLRN-SNVBAGLBSA-N -1 3 356.444 3.111 20 0 FGADHM CCOC(=O)c1[n-]c(C)nc1NC(=O)Cc1cccc(C(F)(F)F)c1 ZINC000558500753 505409981 /nfs/dbraw/zinc/40/99/81/505409981.db2.gz SBAZKFBWDKJETF-UHFFFAOYSA-N -1 3 355.316 3.095 20 0 FGADHM CCOC(=O)c1nc(C)[n-]c1NC(=O)Cc1cccc(C(F)(F)F)c1 ZINC000558500753 505409984 /nfs/dbraw/zinc/40/99/84/505409984.db2.gz SBAZKFBWDKJETF-UHFFFAOYSA-N -1 3 355.316 3.095 20 0 FGADHM O=S(=O)([N-][C@H](C1CC1)C(F)(F)F)c1ccc(Br)cc1 ZINC000561730369 505420458 /nfs/dbraw/zinc/42/04/58/505420458.db2.gz RRRHYDFTPNCFPT-SNVBAGLBSA-N -1 3 358.179 3.068 20 0 FGADHM C[C@@H]1CCC[C@@H](OCCCCCC(=O)N2CCc3c(nc[n-]c3=O)C2)C1 ZINC000564501165 505435213 /nfs/dbraw/zinc/43/52/13/505435213.db2.gz XUGUEQMEVFUYRQ-HZPDHXFCSA-N -1 3 361.486 3.223 20 0 FGADHM CC(C)(C)c1ccc(NC(=O)c2ccc(CN3CCOCC3)cn2)c([O-])c1 ZINC000564532837 505444090 /nfs/dbraw/zinc/44/40/90/505444090.db2.gz LUVKMHSUOOHMLH-UHFFFAOYSA-N -1 3 369.465 3.169 20 0 FGADHM O=C(c1cc(F)cc2[n-]nnc21)N1CCCC[C@H]1Cc1ccc(F)cc1 ZINC000558629260 505445136 /nfs/dbraw/zinc/44/51/36/505445136.db2.gz IVVVDFKDULJGHT-HNNXBMFYSA-N -1 3 356.376 3.474 20 0 FGADHM O=C(c1cc(F)cc2nn[n-]c21)N1CCCC[C@H]1Cc1ccc(F)cc1 ZINC000558629260 505445141 /nfs/dbraw/zinc/44/51/41/505445141.db2.gz IVVVDFKDULJGHT-HNNXBMFYSA-N -1 3 356.376 3.474 20 0 FGADHM O=C(c1cc(F)cc2n[n-]nc21)N1CCCC[C@H]1Cc1ccc(F)cc1 ZINC000558629260 505445144 /nfs/dbraw/zinc/44/51/44/505445144.db2.gz IVVVDFKDULJGHT-HNNXBMFYSA-N -1 3 356.376 3.474 20 0 FGADHM CC(=O)c1cccc(NC(=O)c2sc(-c3cnn(C)c3)nc2C)c1[O-] ZINC000552287035 505451196 /nfs/dbraw/zinc/45/11/96/505451196.db2.gz GHNBJIMIORWFKP-UHFFFAOYSA-N -1 3 356.407 3.013 20 0 FGADHM CC[C@@H]([N-]S(=O)(=O)c1cc(C)c(Cl)s1)C(=O)OC(C)(C)C ZINC000564622478 505472993 /nfs/dbraw/zinc/47/29/93/505472993.db2.gz RWQMXGHDDUIDDO-SECBINFHSA-N -1 3 353.893 3.109 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)[C@@H]3CC[C@H](C(F)(F)F)C3)[n-]c21 ZINC000552365688 505473852 /nfs/dbraw/zinc/47/38/52/505473852.db2.gz NSIXQRQCDQXBBZ-BDAKNGLRSA-N -1 3 355.316 3.267 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@@H]3CC[C@H](C(F)(F)F)C3)nc21 ZINC000552365688 505473854 /nfs/dbraw/zinc/47/38/54/505473854.db2.gz NSIXQRQCDQXBBZ-BDAKNGLRSA-N -1 3 355.316 3.267 20 0 FGADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(C)nn(C)c3c2)c(C)c1 ZINC000564630168 505474859 /nfs/dbraw/zinc/47/48/59/505474859.db2.gz PKBZKUMDCRNNPT-UHFFFAOYSA-N -1 3 359.451 3.308 20 0 FGADHM COC(=O)c1cc(C(=O)Nc2cc(F)ccc2Sc2nccn2C)c[n-]1 ZINC000555657426 505487848 /nfs/dbraw/zinc/48/78/48/505487848.db2.gz JTKRUGFGRFRUAD-UHFFFAOYSA-N -1 3 374.397 3.077 20 0 FGADHM Cc1nc(C)c(CCC(=O)N[C@H]2C[C@H](c3ccccc3Cl)C2)c(=O)[n-]1 ZINC000564707026 505497889 /nfs/dbraw/zinc/49/78/89/505497889.db2.gz YOPLUUPNWOHTHH-HDJSIYSDSA-N -1 3 359.857 3.447 20 0 FGADHM CCOc1nc2cc(C(=O)N3CC4(CCC4)[C@@H]3C3CCOCC3)ccc2[n-]1 ZINC000567583125 505506530 /nfs/dbraw/zinc/50/65/30/505506530.db2.gz UUPHRRPKDNQGPX-SFHVURJKSA-N -1 3 369.465 3.383 20 0 FGADHM CCOc1nc2ccc(C(=O)N3CC4(CCC4)[C@@H]3C3CCOCC3)cc2[n-]1 ZINC000567583125 505506532 /nfs/dbraw/zinc/50/65/32/505506532.db2.gz UUPHRRPKDNQGPX-SFHVURJKSA-N -1 3 369.465 3.383 20 0 FGADHM CC[C@@H](C)C[C@H]1NC(=O)N(Cc2ccc([O-])c(Br)c2)C1=O ZINC000567613609 505515035 /nfs/dbraw/zinc/51/50/35/505515035.db2.gz FEOQTQANTKBGLL-BXKDBHETSA-N -1 3 355.232 3.011 20 0 FGADHM O=C([O-])CN(Cc1ccc(Br)cc1Cl)C1CCOCC1 ZINC000564804342 505525313 /nfs/dbraw/zinc/52/53/13/505525313.db2.gz VOAMMRZJFWAPKG-UHFFFAOYSA-N -1 3 362.651 3.168 20 0 FGADHM Cn1[n-]c(-c2ccccc2Cl)nc1=NC(=O)Cc1coc2ccccc12 ZINC000562267191 505556975 /nfs/dbraw/zinc/55/69/75/505556975.db2.gz KVAUWPQAPFASJA-UHFFFAOYSA-N -1 3 366.808 3.485 20 0 FGADHM O=C([O-])[C@]1(c2ccccc2)CCN(Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000582731608 506388667 /nfs/dbraw/zinc/38/86/67/506388667.db2.gz GBSHYNOZTFAHOJ-HXUWFJFHSA-N -1 3 373.836 3.340 20 0 FGADHM CCS[C@H]1CCC[C@@H]1NC(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000603040860 506393816 /nfs/dbraw/zinc/39/38/16/506393816.db2.gz CENODRFFNBCIAF-UWVGGRQHSA-N -1 3 370.828 3.316 20 0 FGADHM CS(=O)(=O)c1ccc(C(=O)[N-]c2cccnc2Oc2ccccc2)o1 ZINC000603053213 506401385 /nfs/dbraw/zinc/40/13/85/506401385.db2.gz LBADQJMOPQHZIZ-UHFFFAOYSA-N -1 3 358.375 3.123 20 0 FGADHM CC(=O)c1ccc(C(=O)N2CCC[C@@H]2CC(=O)c2ccccc2)cc1[O-] ZINC000612123963 506449268 /nfs/dbraw/zinc/44/92/68/506449268.db2.gz HTQZFXDWOIWFMT-QGZVFWFLSA-N -1 3 351.402 3.472 20 0 FGADHM COC(=O)[C@H](NCc1cc([O-])ccc1Cl)c1ccc(OC)cc1OC ZINC000599438596 506456170 /nfs/dbraw/zinc/45/61/70/506456170.db2.gz PRRXWRIFLBHEGL-QGZVFWFLSA-N -1 3 365.813 3.067 20 0 FGADHM O=C(N=c1cc(-c2cccc(Cl)c2)[n-][nH]1)c1ccc(N2CCCC2)nc1 ZINC000589165551 506466356 /nfs/dbraw/zinc/46/63/56/506466356.db2.gz FKMDQBAERRZEBJ-UHFFFAOYSA-N -1 3 367.840 3.400 20 0 FGADHM CCN(CC)C(=O)c1cccc(NC(=O)c2c[n-]nc2-c2ccncc2)c1 ZINC000612173961 506473173 /nfs/dbraw/zinc/47/31/73/506473173.db2.gz YTFUZUDLEYZFSN-UHFFFAOYSA-N -1 3 363.421 3.206 20 0 FGADHM CCN(CC)C(=O)c1cccc(NC(=O)c2cn[n-]c2-c2ccncc2)c1 ZINC000612173961 506473176 /nfs/dbraw/zinc/47/31/76/506473176.db2.gz YTFUZUDLEYZFSN-UHFFFAOYSA-N -1 3 363.421 3.206 20 0 FGADHM CO[C@H](CS(=O)(=O)[N-]c1cccc(Cl)c1Br)C1CC1 ZINC000582905389 506481478 /nfs/dbraw/zinc/48/14/78/506481478.db2.gz NNDPDWGUGGMIHG-LLVKDONJSA-N -1 3 368.680 3.269 20 0 FGADHM Cc1nn(C)c(C)c1C[C@@H](C)C(=O)N=c1cc(-c2cccc(Cl)c2)[n-][nH]1 ZINC000608359763 506525992 /nfs/dbraw/zinc/52/59/92/506525992.db2.gz RPBLCWCVWVCRIJ-LLVKDONJSA-N -1 3 371.872 3.320 20 0 FGADHM O=S(=O)([N-]C[C@@H]1OCCc2ccccc21)c1ccccc1C(F)(F)F ZINC000603506570 506535160 /nfs/dbraw/zinc/53/51/60/506535160.db2.gz UKCJGDNBTGAUCS-HNNXBMFYSA-N -1 3 371.380 3.298 20 0 FGADHM COCCOc1ccc([N-]S(=O)(=O)c2ccccc2C)cc1Cl ZINC000589433588 506547022 /nfs/dbraw/zinc/54/70/22/506547022.db2.gz HNDXGTJKQJDALB-UHFFFAOYSA-N -1 3 355.843 3.474 20 0 FGADHM C[C@@H]1CCN(C[C@@H](O)COc2ccc(C(=O)[O-])cc2)[C@@H]1c1cccc(F)c1 ZINC000583030264 506550922 /nfs/dbraw/zinc/55/09/22/506550922.db2.gz NNIBJESVGNOTQL-DJKXOVBDSA-N -1 3 373.424 3.347 20 0 FGADHM Cc1cc(NC(=O)[C@@H]2CC[C@H](C(F)(F)F)[N-]C2=O)ccc1C(F)(F)F ZINC000608476711 506579547 /nfs/dbraw/zinc/57/95/47/506579547.db2.gz IHGSCCJLJYURIV-GXSJLCMTSA-N -1 3 368.277 3.409 20 0 FGADHM COC(=O)C1C[C@@H](C)N(Cc2cc(=O)[n-]c(-c3ccccc3)n2)[C@H](C)C1 ZINC000599688734 506582506 /nfs/dbraw/zinc/58/25/06/506582506.db2.gz ACLLTVKVCFGVRI-ZIAGYGMSSA-N -1 3 355.438 3.011 20 0 FGADHM CSc1ccc(-c2nsc([N-]C(=O)c3cn4cccnc4n3)n2)cc1 ZINC000608482916 506582918 /nfs/dbraw/zinc/58/29/18/506582918.db2.gz JLQNLMLLTYXUTH-UHFFFAOYSA-N -1 3 368.447 3.222 20 0 FGADHM Cc1ccc(C)c([C@H](C)N(C)C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)c1 ZINC000583097213 506587535 /nfs/dbraw/zinc/58/75/35/506587535.db2.gz XLKYRSIKGJEAOE-ZDUSSCGKSA-N -1 3 351.406 3.412 20 0 FGADHM COc1cccc([C@H]2CN(C(=O)c3cc(SC)ccc3[O-])CCO2)c1 ZINC000612533719 506613728 /nfs/dbraw/zinc/61/37/28/506613728.db2.gz WSZZIBFJBDLAJW-GOSISDBHSA-N -1 3 359.447 3.336 20 0 FGADHM C[C@H](NC(=O)c1c[n-]c2ccccc2c1=O)c1cccc(-n2cccn2)c1 ZINC000608594577 506621135 /nfs/dbraw/zinc/62/11/35/506621135.db2.gz ZSSXAGUSCYSSFJ-AWEZNQCLSA-N -1 3 358.401 3.205 20 0 FGADHM CCOC(=O)CCC1CCN(C(=O)c2ccc3c(c2[O-])CCCC3)CC1 ZINC000612556180 506623559 /nfs/dbraw/zinc/62/35/59/506623559.db2.gz HTZMGYZUZPANJB-UHFFFAOYSA-N -1 3 359.466 3.467 20 0 FGADHM CCCC[C@H](C)N(C)C(=O)C(=O)[N-]c1scc(C2CC2)c1C(=O)OC ZINC000583175328 506629163 /nfs/dbraw/zinc/62/91/63/506629163.db2.gz OPAVQTUSHWWWJV-NSHDSACASA-N -1 3 366.483 3.388 20 0 FGADHM CSc1nnc(NC(=O)c2ccc(-n3cnc4ccccc43)cc2)[n-]1 ZINC000589694015 506632975 /nfs/dbraw/zinc/63/29/75/506632975.db2.gz GUYWNADNXHRXEI-UHFFFAOYSA-N -1 3 350.407 3.118 20 0 FGADHM CSc1n[n-]c(NC(=O)c2ccc(-n3cnc4ccccc43)cc2)n1 ZINC000589694015 506632978 /nfs/dbraw/zinc/63/29/78/506632978.db2.gz GUYWNADNXHRXEI-UHFFFAOYSA-N -1 3 350.407 3.118 20 0 FGADHM CSc1nc(NC(=O)c2ccc(-n3cnc4ccccc43)cc2)n[n-]1 ZINC000589694015 506632980 /nfs/dbraw/zinc/63/29/80/506632980.db2.gz GUYWNADNXHRXEI-UHFFFAOYSA-N -1 3 350.407 3.118 20 0 FGADHM CC[C@@H]1c2ccccc2CCN1C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000603922898 506660398 /nfs/dbraw/zinc/66/03/98/506660398.db2.gz ZPXAOAIZJMQZAZ-GOSISDBHSA-N -1 3 358.463 3.208 20 0 FGADHM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)c2cccs2)c(F)c1 ZINC000593525237 506670837 /nfs/dbraw/zinc/67/08/37/506670837.db2.gz NEXLTHHEJMYZQF-JTQLQIEISA-N -1 3 357.428 3.103 20 0 FGADHM Cn1c2ccc(CNC(=O)Cc3ccc([O-])c(F)c3)cc2nc1C1CC1 ZINC000583249312 506674964 /nfs/dbraw/zinc/67/49/64/506674964.db2.gz HBDPLMZEZFTDFI-UHFFFAOYSA-N -1 3 353.397 3.154 20 0 FGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)C(C)C)s1 ZINC000604022125 506689884 /nfs/dbraw/zinc/68/98/84/506689884.db2.gz IQEKTAIJBKZFDQ-HNNXBMFYSA-N -1 3 353.465 3.210 20 0 FGADHM COC(=O)c1ncc([N-]C(=O)c2cc(-c3ccccc3)no2)cc1Cl ZINC000583298339 506703078 /nfs/dbraw/zinc/70/30/78/506703078.db2.gz XUSBUCJKDDBZBB-UHFFFAOYSA-N -1 3 357.753 3.429 20 0 FGADHM CCN=c1[n-]c(C(=O)N2CCC[C@@H]2CC(=O)c2ccc(F)cc2)cs1 ZINC000612720164 506706765 /nfs/dbraw/zinc/70/67/65/506706765.db2.gz JRKKMXHJUVKULQ-CQSZACIVSA-N -1 3 361.442 3.014 20 0 FGADHM COC(=O)c1cc(Cl)cc(NC(=O)c2cnc3n2[C@H](C)CCC3)c1[O-] ZINC000593704420 506741344 /nfs/dbraw/zinc/74/13/44/506741344.db2.gz KIVJGUMOPFFGKH-SECBINFHSA-N -1 3 363.801 3.178 20 0 FGADHM O=C(c1cc(OCc2ccccc2)ccc1[O-])N1CC[C@@H](O)CC12CCC2 ZINC000583375195 506744664 /nfs/dbraw/zinc/74/46/64/506744664.db2.gz MEHZBMOKKMSOAV-QGZVFWFLSA-N -1 3 367.445 3.491 20 0 FGADHM CC[C@H](C)C[C@@H]([N-]S(=O)(=O)C1CCC(C(F)(F)F)CC1)C(=O)OC ZINC000583438224 506780318 /nfs/dbraw/zinc/78/03/18/506780318.db2.gz YQHDRFSNQSNXDX-YWPUVAFDSA-N -1 3 373.437 3.005 20 0 FGADHM CCc1nc(C)c(C(=O)Nc2cc(I)ccc2[O-])o1 ZINC000590316606 506792622 /nfs/dbraw/zinc/79/26/22/506792622.db2.gz ZZUHENJGYWEQIA-UHFFFAOYSA-N -1 3 372.162 3.108 20 0 FGADHM C[C@H](COC1CCCC1)CS(=O)(=O)[N-]CC(=O)c1ccccc1Cl ZINC000583487700 506807213 /nfs/dbraw/zinc/80/72/13/506807213.db2.gz ADXVBNRNYHOQOZ-CYBMUJFWSA-N -1 3 373.902 3.037 20 0 FGADHM CCn1nnc(C)c1CN(CCc1ccc(Cl)cc1Cl)CC(=O)[O-] ZINC000583570470 506855677 /nfs/dbraw/zinc/85/56/77/506855677.db2.gz SQHYEKMJAFEOOL-UHFFFAOYSA-N -1 3 371.268 3.043 20 0 FGADHM CCN(C[C@H]1CCOC1)C(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000613041752 506877472 /nfs/dbraw/zinc/87/74/72/506877472.db2.gz VVPXYTWWPGRNNA-CQSZACIVSA-N -1 3 356.426 3.048 20 0 FGADHM COc1ccccc1-c1cc(=NC(=O)C[C@@H]2OCCc3ccccc32)[nH][n-]1 ZINC000604601449 506888241 /nfs/dbraw/zinc/88/82/41/506888241.db2.gz LZHAHJXVEHKQJL-IBGZPJMESA-N -1 3 363.417 3.150 20 0 FGADHM Cc1ccc2c(c1)[C@H](NC(=O)c1ccc([N-]S(C)(=O)=O)cc1)CCC2 ZINC000583648616 506893959 /nfs/dbraw/zinc/89/39/59/506893959.db2.gz TZRXPPGHQSOHKQ-GOSISDBHSA-N -1 3 358.463 3.174 20 0 FGADHM COC(=O)C1(CNC(=O)CCc2ccc3ccccc3c2[O-])CCCC1 ZINC000590673016 506903302 /nfs/dbraw/zinc/90/33/02/506903302.db2.gz MUBIVBGPJOIPAH-UHFFFAOYSA-N -1 3 355.434 3.328 20 0 FGADHM C[C@H](CC(C)(C)C)c1nc(-c2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)no1 ZINC000583685933 506916630 /nfs/dbraw/zinc/91/66/30/506916630.db2.gz FLRJJKDOMKMYJJ-WYRIXSBYSA-N -1 3 356.426 3.331 20 0 FGADHM O=C(Cc1cncc([O-])c1)N[C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000583770298 506963561 /nfs/dbraw/zinc/96/35/61/506963561.db2.gz WTSHOGHQAKSZGN-LJQANCHMSA-N -1 3 353.809 3.284 20 0 FGADHM C[C@H](CNC(=O)c1c[n-]nc1-c1ccccn1)Oc1ccccc1Cl ZINC000583783035 506969014 /nfs/dbraw/zinc/96/90/14/506969014.db2.gz MXCCJEPXTMRMHH-GFCCVEGCSA-N -1 3 356.813 3.322 20 0 FGADHM CSc1nnc(NC(=O)c2nc(-c3ccccc3)n3c2CCCCC3)[n-]1 ZINC000590811116 506975324 /nfs/dbraw/zinc/97/53/24/506975324.db2.gz VALQGQDBCSDSCJ-UHFFFAOYSA-N -1 3 368.466 3.369 20 0 FGADHM CSc1n[n-]c(NC(=O)c2nc(-c3ccccc3)n3c2CCCCC3)n1 ZINC000590811116 506975329 /nfs/dbraw/zinc/97/53/29/506975329.db2.gz VALQGQDBCSDSCJ-UHFFFAOYSA-N -1 3 368.466 3.369 20 0 FGADHM CSc1nc(NC(=O)c2nc(-c3ccccc3)n3c2CCCCC3)n[n-]1 ZINC000590811116 506975333 /nfs/dbraw/zinc/97/53/33/506975333.db2.gz VALQGQDBCSDSCJ-UHFFFAOYSA-N -1 3 368.466 3.369 20 0 FGADHM CCCCn1c(=O)[n-]nc1S[C@H](Cc1ccc(F)cc1)C(=O)OCC ZINC000600514265 506978031 /nfs/dbraw/zinc/97/80/31/506978031.db2.gz NEXQCBVGZDWVBV-CQSZACIVSA-N -1 3 367.446 3.189 20 0 FGADHM CCc1ccc([O-])c(C(=O)Nc2n[nH]c(-c3ccc(OC)cc3OC)n2)c1 ZINC000604901167 506982391 /nfs/dbraw/zinc/98/23/91/506982391.db2.gz JWKCGOKLIAZGKI-UHFFFAOYSA-N -1 3 368.393 3.009 20 0 FGADHM Cc1cc(C)cc(-c2cc(=NC(=O)[C@H]3CCCCN3C(=O)C(C)C)[nH][n-]2)c1 ZINC000604901522 506982507 /nfs/dbraw/zinc/98/25/07/506982507.db2.gz UWMLQEDNBURSAB-GOSISDBHSA-N -1 3 368.481 3.091 20 0 FGADHM Cc1cc(C)cc(-c2cc(=NC(=O)c3cc(C(C)(C)C)nn3C)[nH][n-]2)c1 ZINC000604901504 506983170 /nfs/dbraw/zinc/98/31/70/506983170.db2.gz RIBSVGKAIMHTJG-UHFFFAOYSA-N -1 3 351.454 3.399 20 0 FGADHM CC(=O)c1ccc(C(=O)N(Cc2ccccc2)[C@H](CO)C2CC2)cc1[O-] ZINC000613231214 506984534 /nfs/dbraw/zinc/98/45/34/506984534.db2.gz DNVMPOXZQUHOET-LJQANCHMSA-N -1 3 353.418 3.008 20 0 FGADHM CC(=O)Nc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](C(C)C)C2)c(F)c1 ZINC000590948881 507055416 /nfs/dbraw/zinc/05/54/16/507055416.db2.gz GWWYBZXUDCRWJE-UKRRQHHQSA-N -1 3 356.463 3.277 20 0 FGADHM COc1ccc(-c2nc(CN3CC[C@H](C(=O)[O-])[C@H]3C)cs2)cc1OC ZINC000583940157 507060611 /nfs/dbraw/zinc/06/06/11/507060611.db2.gz SGTBHMKYGCWXMN-RISCZKNCSA-N -1 3 362.451 3.122 20 0 FGADHM CCOc1cc(CN[C@H](C(=O)OC)C(C)(C)C)cc(Br)c1[O-] ZINC000590959355 507061403 /nfs/dbraw/zinc/06/14/03/507061403.db2.gz GSRRKBJJFHMLCH-CQSZACIVSA-N -1 3 374.275 3.231 20 0 FGADHM C[C@H](NC(C)(C)C[N-]S(=O)(=O)c1cccc(F)c1F)c1ccccc1 ZINC000591085495 507109318 /nfs/dbraw/zinc/10/93/18/507109318.db2.gz APFOEYWYAXAKIO-ZDUSSCGKSA-N -1 3 368.449 3.373 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1ccnc(Oc2ccccc2)c1 ZINC000591175162 507142196 /nfs/dbraw/zinc/14/21/96/507142196.db2.gz INPGDSIBMQHRIN-UHFFFAOYSA-N -1 3 358.361 3.306 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1ccnc(Oc2ccccc2)c1 ZINC000591175162 507142200 /nfs/dbraw/zinc/14/22/00/507142200.db2.gz INPGDSIBMQHRIN-UHFFFAOYSA-N -1 3 358.361 3.306 20 0 FGADHM C[C@H](C[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)C(=O)OC(C)(C)C ZINC000594477453 507147616 /nfs/dbraw/zinc/14/76/16/507147616.db2.gz MTYLEOQGURCIEP-MRVPVSSYSA-N -1 3 373.418 3.023 20 0 FGADHM CCOC(=O)c1[n-]c(C)nc1NC(=O)CO[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000610232318 507150785 /nfs/dbraw/zinc/15/07/85/507150785.db2.gz NXVJPYBJWMTHPY-NWANDNLSSA-N -1 3 365.474 3.311 20 0 FGADHM CCOC(=O)c1nc(C)[n-]c1NC(=O)CO[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000610232318 507150792 /nfs/dbraw/zinc/15/07/92/507150792.db2.gz NXVJPYBJWMTHPY-NWANDNLSSA-N -1 3 365.474 3.311 20 0 FGADHM C[C@@H]1Cc2ccccc2N(C(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)C1 ZINC000591283263 507185540 /nfs/dbraw/zinc/18/55/40/507185540.db2.gz QMLGKZPCHJXAEL-GFCCVEGCSA-N -1 3 362.426 3.036 20 0 FGADHM CS(=O)(=O)[N-]c1cc(NC(=O)c2cc3occc3s2)ccc1F ZINC000605500880 507219691 /nfs/dbraw/zinc/21/96/91/507219691.db2.gz LPXOWMOGWWEYAH-UHFFFAOYSA-N -1 3 354.384 3.257 20 0 FGADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)c1cccs1 ZINC000591366964 507221605 /nfs/dbraw/zinc/22/16/05/507221605.db2.gz UHZXRAPXZIFYPU-UHFFFAOYSA-N -1 3 364.370 3.391 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCOc3ccc(F)cc32)c(F)c1 ZINC000591389096 507230635 /nfs/dbraw/zinc/23/06/35/507230635.db2.gz KMZHSZBHEIIZGD-OAHLLOKOSA-N -1 3 353.390 3.465 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]CCCc2nc3c(s2)CCCC3)c(F)c1 ZINC000591391122 507231553 /nfs/dbraw/zinc/23/15/53/507231553.db2.gz VRZBFHIFECNSGP-UHFFFAOYSA-N -1 3 368.499 3.381 20 0 FGADHM O=c1cc(C(F)(F)F)nc(C[S@](=O)Cc2ccsc2Cl)[n-]1 ZINC000594678336 507231889 /nfs/dbraw/zinc/23/18/89/507231889.db2.gz XKHYVAUMRFUPLG-OAQYLSRUSA-N -1 3 356.778 3.365 20 0 FGADHM COc1ccccc1OCCC[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000591391503 507232320 /nfs/dbraw/zinc/23/23/20/507232320.db2.gz PNTRWTSHMGHQHQ-UHFFFAOYSA-N -1 3 373.833 3.235 20 0 FGADHM CC(C)n1c(CCNC(=O)c2cc(=O)c3ccccc3[n-]2)nc2ccccc21 ZINC000605554852 507239956 /nfs/dbraw/zinc/23/99/56/507239956.db2.gz QRGKJJADNJKREP-UHFFFAOYSA-N -1 3 374.444 3.431 20 0 FGADHM COc1ccc2c(c1)[n-]cc(C(=O)NCc1ccc3ccccc3n1)c2=O ZINC000613770437 507252016 /nfs/dbraw/zinc/25/20/16/507252016.db2.gz MHGIEHYRMHWXMC-UHFFFAOYSA-N -1 3 359.385 3.015 20 0 FGADHM Cc1cc(C)c(-c2cc(=NC(=O)c3cccc(-n4cccn4)n3)[nH][n-]2)cc1C ZINC000605878181 507291653 /nfs/dbraw/zinc/29/16/53/507291653.db2.gz LFBXXGUIEJBUNW-UHFFFAOYSA-N -1 3 372.432 3.257 20 0 FGADHM COC(=O)[C@@H]1CCN(C(=O)c2cc(SC)ccc2[O-])[C@H]2CCCC[C@H]12 ZINC000598186221 507302403 /nfs/dbraw/zinc/30/24/03/507302403.db2.gz WGZOQQNTNIVUAB-FMKPAKJESA-N -1 3 363.479 3.308 20 0 FGADHM CCOC(=O)c1nc(C2CCN(C(=O)C[C@H](CC)C(C)(C)C)CC2)n[n-]1 ZINC000601537505 507383060 /nfs/dbraw/zinc/38/30/60/507383060.db2.gz AOVHWUDEIWZCAD-AWEZNQCLSA-N -1 3 364.490 3.150 20 0 FGADHM 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/nfs/dbraw/zinc/54/49/62/516544962.db2.gz BFQMQVZRHKYQTE-OAHLLOKOSA-N -1 3 357.458 3.202 20 0 FGADHM O=C(N=c1ccc(-c2ccccc2)n[n-]1)NC[C@@H]1CCN1C1CCCC1 ZINC000529015354 516864310 /nfs/dbraw/zinc/86/43/10/516864310.db2.gz AMDYYZBKBBELOS-KRWDZBQOSA-N -1 3 351.454 3.282 20 0 FGADHM CC1CCN(c2ccc(CNC(=O)c3csc(=NC4CC4)[n-]3)cn2)CC1 ZINC000525369360 517021434 /nfs/dbraw/zinc/02/14/34/517021434.db2.gz FVVNCBHIJSDKSM-UHFFFAOYSA-N -1 3 371.510 3.279 20 0 FGADHM Cc1ccc([C@@H](CNC(=O)N=c2ncn(C(C)(C)C)[n-]2)N2CCCC2)cc1 ZINC000541508388 517084900 /nfs/dbraw/zinc/08/49/00/517084900.db2.gz MXZCRMJFZJTJNG-QGZVFWFLSA-N -1 3 370.501 3.300 20 0 FGADHM CCCc1ccc(-c2cc(=NC(=O)[C@@H]3CC(=O)N[C@H](CC)C3)[nH][n-]2)cc1 ZINC000541774822 517209399 /nfs/dbraw/zinc/20/93/99/517209399.db2.gz LSIHPQQFXUOWLG-JKSUJKDBSA-N -1 3 354.454 3.273 20 0 FGADHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1cccc(OCc2cccnc2)c1 ZINC000525967622 517263041 /nfs/dbraw/zinc/26/30/41/517263041.db2.gz VYBCDHWRCFVPOU-SFHVURJKSA-N -1 3 364.405 3.488 20 0 FGADHM O=C(COc1ccc(C(F)(F)F)cc1)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000525967083 517263132 /nfs/dbraw/zinc/26/31/32/517263132.db2.gz OUHBLRZDDMJGER-CYBMUJFWSA-N -1 3 355.316 3.298 20 0 FGADHM O=C(COc1ccccc1C(F)(F)F)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000526960130 517412216 /nfs/dbraw/zinc/41/22/16/517412216.db2.gz QEGLTJBVAKLQLS-ZDUSSCGKSA-N -1 3 355.316 3.298 20 0 FGADHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1cccc(OCC(F)(F)F)c1 ZINC000527209182 517563027 /nfs/dbraw/zinc/56/30/27/517563027.db2.gz ILGHWQNHNAONID-ZDUSSCGKSA-N -1 3 355.316 3.455 20 0 FGADHM CCC(CC)N1C[C@@H](C(=O)N=c2[nH][n-]c(C)c2-c2ccccc2F)CC1=O ZINC000530276876 517673993 /nfs/dbraw/zinc/67/39/93/517673993.db2.gz WQCIGINZHVBRJO-ZDUSSCGKSA-N -1 3 372.444 3.500 20 0 FGADHM CCCc1ccc(-c2cc(=NC(=O)c3noc4c3COCC4)[nH][n-]2)cc1 ZINC000527597604 517783285 /nfs/dbraw/zinc/78/32/85/517783285.db2.gz JCMANZKZMTUNDZ-UHFFFAOYSA-N -1 3 352.394 3.342 20 0 FGADHM CN1CC[C@@H](NC(=O)N=c2[n-]nc(-c3ccco3)s2)[C@H]1c1ccccc1 ZINC000530462776 517791312 /nfs/dbraw/zinc/79/13/12/517791312.db2.gz YZQFEKBBDPKTAD-UKRRQHHQSA-N -1 3 369.450 3.365 20 0 FGADHM CCN=c1[n-]c(C(=O)N(C)c2ccc(C(=O)NC(C)(C)C)cc2)cs1 ZINC000616261837 519958286 /nfs/dbraw/zinc/95/82/86/519958286.db2.gz SQSZOSFERIYBQI-UHFFFAOYSA-N -1 3 360.483 3.380 20 0 FGADHM O=C(CSc1ccc(C(F)(F)F)cn1)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000616826169 520164110 /nfs/dbraw/zinc/16/41/10/520164110.db2.gz IQINWBJWFROMGQ-NSHDSACASA-N -1 3 372.372 3.406 20 0 FGADHM CCn1nc(C(=O)N=c2cc(-c3ccccc3C)[n-][nH]2)c(=O)c2ccccc21 ZINC000605332085 520838776 /nfs/dbraw/zinc/83/87/76/520838776.db2.gz HUTABSYRWWVTLD-UHFFFAOYSA-N -1 3 373.416 3.367 20 0 FGADHM Cc1cc(C2(C(=O)N=c3cc(-c4ccccc4C)[n-][nH]3)CCOCC2)on1 ZINC000626359653 522132224 /nfs/dbraw/zinc/13/22/24/522132224.db2.gz MRNVJQXEPDAGTL-UHFFFAOYSA-N -1 3 366.421 3.368 20 0 FGADHM COc1cccc(-c2c(C)[n-][nH]c2=NC(=O)c2cnn(CC(C)C)c2)c1 ZINC000629694168 522397883 /nfs/dbraw/zinc/39/78/83/522397883.db2.gz RWERHTILUOQIGH-UHFFFAOYSA-N -1 3 353.426 3.499 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@@H]2CCN(CC(F)(F)F)C2)c1-c1ccc(F)cc1 ZINC000630028862 522591003 /nfs/dbraw/zinc/59/10/03/522591003.db2.gz WKYVWLRMOWJADE-GFCCVEGCSA-N -1 3 370.350 3.347 20 0 FGADHM O=C(C[C@H](O)Cc1ccccc1)N=c1cc2ccc(Br)cn2[n-]1 ZINC000487310969 561367540 /nfs/dbraw/zinc/36/75/40/561367540.db2.gz ZOLQLBRWXTYPOG-OAHLLOKOSA-N -1 3 374.238 3.029 20 0 FGADHM CCOc1ccc(C(=O)N=c2cc(OC(F)F)n(C)[n-]2)cc1OCC ZINC000491035459 561442223 /nfs/dbraw/zinc/44/22/23/561442223.db2.gz LZNZIQULTUNPNX-UHFFFAOYSA-N -1 3 355.341 3.071 20 0 FGADHM CCOC(=O)c1ccc(NC(=O)c2ccc(NCC3CC3)nc2)c([O-])c1 ZINC000507016556 561714106 /nfs/dbraw/zinc/71/41/06/561714106.db2.gz ZFWMKTHNOPOCRS-UHFFFAOYSA-N -1 3 355.394 3.038 20 0 FGADHM CC[C@H](C)Oc1cc(C(=O)N=c2[n-]n(C)cc2Br)ccn1 ZINC000517237553 562081873 /nfs/dbraw/zinc/08/18/73/562081873.db2.gz KKLLHDCDERDVLU-VIFPVBQESA-N -1 3 353.220 3.007 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)C2CCN(c3cnccn3)CC2)c1-c1ccccc1 ZINC000522812872 562204070 /nfs/dbraw/zinc/20/40/70/562204070.db2.gz VDVVUTCVZYWGQP-UHFFFAOYSA-N -1 3 362.437 3.030 20 0 FGADHM O=C(NCCC1CC1)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430656599 567855249 /nfs/dbraw/zinc/85/52/49/567855249.db2.gz WWLHYMQPLKTWMO-UHFFFAOYSA-N -1 3 369.646 3.474 20 0 FGADHM O=C(NCCC1CC1)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000430656599 567855250 /nfs/dbraw/zinc/85/52/50/567855250.db2.gz WWLHYMQPLKTWMO-UHFFFAOYSA-N -1 3 369.646 3.474 20 0 FGADHM CCc1ccc([O-])c(C(=O)N2CCC(NC(=O)c3ccccc3C)CC2)c1 ZINC000522758999 568054491 /nfs/dbraw/zinc/05/44/91/568054491.db2.gz QUWIGQMMJIQCSX-UHFFFAOYSA-N -1 3 366.461 3.298 20 0 FGADHM Cc1csc(C2([N-]S(=O)(=O)c3ccc4c(c3)COC4)CCCC2)n1 ZINC000095396210 568381813 /nfs/dbraw/zinc/38/18/13/568381813.db2.gz HRQFTJKSMYGNTL-UHFFFAOYSA-N -1 3 364.492 3.230 20 0 FGADHM CCc1ocnc1C(=O)N(Cc1ccccc1)c1ccccc1-c1nnn[n-]1 ZINC000736712065 598831104 /nfs/dbraw/zinc/83/11/04/598831104.db2.gz AVUWJVNBIUZLET-UHFFFAOYSA-N -1 3 374.404 3.264 20 0 FGADHM CCc1ocnc1C(=O)N(Cc1ccccc1)c1ccccc1-c1nn[n-]n1 ZINC000736712065 598831106 /nfs/dbraw/zinc/83/11/06/598831106.db2.gz AVUWJVNBIUZLET-UHFFFAOYSA-N -1 3 374.404 3.264 20 0 FGADHM Cc1ccc(C(=O)NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)o1 ZINC000737312355 598834024 /nfs/dbraw/zinc/83/40/24/598834024.db2.gz IFBWBOMZNYNREL-UHFFFAOYSA-N -1 3 365.418 3.427 20 0 FGADHM CSCCCC(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000737180600 598834087 /nfs/dbraw/zinc/83/40/87/598834087.db2.gz GTAJRLXDRNNIKK-UHFFFAOYSA-N -1 3 373.507 3.355 20 0 FGADHM CCCOc1ccccc1NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC000736492370 598851919 /nfs/dbraw/zinc/85/19/19/598851919.db2.gz KVJKOBQTWMAVQP-UHFFFAOYSA-N -1 3 368.397 3.308 20 0 FGADHM CCCOc1ccccc1NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC000736492370 598851920 /nfs/dbraw/zinc/85/19/20/598851920.db2.gz KVJKOBQTWMAVQP-UHFFFAOYSA-N -1 3 368.397 3.308 20 0 FGADHM Fc1cccc(C2(CNc3nc4c(cc3-c3nnn[n-]3)CCC4)CC2)c1 ZINC000737667222 598855904 /nfs/dbraw/zinc/85/59/04/598855904.db2.gz NZFWYCYVDPQHLK-UHFFFAOYSA-N -1 3 350.401 3.033 20 0 FGADHM Fc1cccc(C2(CNc3nc4c(cc3-c3nn[n-]n3)CCC4)CC2)c1 ZINC000737667222 598855906 /nfs/dbraw/zinc/85/59/06/598855906.db2.gz NZFWYCYVDPQHLK-UHFFFAOYSA-N -1 3 350.401 3.033 20 0 FGADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)c1nc(Cc2ccc(F)cc2)no1 ZINC000736168353 598859452 /nfs/dbraw/zinc/85/94/52/598859452.db2.gz JRDRWRCIXAFWTP-NSHDSACASA-N -1 3 366.356 3.120 20 0 FGADHM Cc1ccc2oc(SCC(=O)c3ccc(-c4nnn[n-]4)cc3)nc2c1 ZINC000737381546 598861600 /nfs/dbraw/zinc/86/16/00/598861600.db2.gz ZFVIAGMMJANNSD-UHFFFAOYSA-N -1 3 351.391 3.291 20 0 FGADHM Cc1ccc2oc(SCC(=O)c3ccc(-c4nn[n-]n4)cc3)nc2c1 ZINC000737381546 598861602 /nfs/dbraw/zinc/86/16/02/598861602.db2.gz ZFVIAGMMJANNSD-UHFFFAOYSA-N -1 3 351.391 3.291 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H](C)C1CCCC1 ZINC000736479478 598878251 /nfs/dbraw/zinc/87/82/51/598878251.db2.gz KTGPUKHVBXGGGU-CQSZACIVSA-N -1 3 356.474 3.367 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H](C)C1CCCC1 ZINC000736479478 598878254 /nfs/dbraw/zinc/87/82/54/598878254.db2.gz KTGPUKHVBXGGGU-CQSZACIVSA-N -1 3 356.474 3.367 20 0 FGADHM CCSc1cccc(N[C@@H](C(=O)OC)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736664876 598885589 /nfs/dbraw/zinc/88/55/89/598885589.db2.gz ABUPRENQQPUGHG-MRXNPFEDSA-N -1 3 369.450 3.305 20 0 FGADHM CCSc1cccc(N[C@@H](C(=O)OC)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736664876 598885591 /nfs/dbraw/zinc/88/55/91/598885591.db2.gz ABUPRENQQPUGHG-MRXNPFEDSA-N -1 3 369.450 3.305 20 0 FGADHM S=C(Nc1ccccc1-c1nnn[n-]1)N1CCC[C@@]2(CC=CCC2)C1 ZINC000738408589 598903098 /nfs/dbraw/zinc/90/30/98/598903098.db2.gz NCMHYEWXMDPXAG-SFHVURJKSA-N -1 3 354.483 3.386 20 0 FGADHM S=C(Nc1ccccc1-c1nn[n-]n1)N1CCC[C@@]2(CC=CCC2)C1 ZINC000738408589 598903099 /nfs/dbraw/zinc/90/30/99/598903099.db2.gz NCMHYEWXMDPXAG-SFHVURJKSA-N -1 3 354.483 3.386 20 0 FGADHM C[C@H](NC(=O)NC1(c2cccc(F)c2)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736114624 598903372 /nfs/dbraw/zinc/90/33/72/598903372.db2.gz VEBJRDUNKMPZOI-LBPRGKRZSA-N -1 3 366.400 3.055 20 0 FGADHM C[C@H](NC(=O)NC1(c2cccc(F)c2)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736114624 598903373 /nfs/dbraw/zinc/90/33/73/598903373.db2.gz VEBJRDUNKMPZOI-LBPRGKRZSA-N -1 3 366.400 3.055 20 0 FGADHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H](C)CC1CCCC1 ZINC000736996698 598904776 /nfs/dbraw/zinc/90/47/76/598904776.db2.gz AAHUOHDWOOCOCZ-HNNXBMFYSA-N -1 3 371.485 3.058 20 0 FGADHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@H](C)CC1CCCC1 ZINC000736996698 598904778 /nfs/dbraw/zinc/90/47/78/598904778.db2.gz AAHUOHDWOOCOCZ-HNNXBMFYSA-N -1 3 371.485 3.058 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)NC1C[C@H](C)C[C@@H](C)C1 ZINC000736637120 598904996 /nfs/dbraw/zinc/90/49/96/598904996.db2.gz OSGSQNLQTDLSLQ-VXGBXAGGSA-N -1 3 358.446 3.212 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)NC1C[C@H](C)C[C@@H](C)C1 ZINC000736637120 598904998 /nfs/dbraw/zinc/90/49/98/598904998.db2.gz OSGSQNLQTDLSLQ-VXGBXAGGSA-N -1 3 358.446 3.212 20 0 FGADHM O=C(Nc1cccc(Nc2ccccc2)c1)c1ccc(-c2nnn[n-]2)cn1 ZINC000738184206 598911171 /nfs/dbraw/zinc/91/11/71/598911171.db2.gz DOBBJGXVJKZSPD-UHFFFAOYSA-N -1 3 357.377 3.258 20 0 FGADHM O=C(Nc1cccc(Nc2ccccc2)c1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738184206 598911173 /nfs/dbraw/zinc/91/11/73/598911173.db2.gz DOBBJGXVJKZSPD-UHFFFAOYSA-N -1 3 357.377 3.258 20 0 FGADHM C[C@H](NC(=O)NCc1coc2ccccc12)c1ccc(-c2nnn[n-]2)cc1 ZINC000736119202 598919894 /nfs/dbraw/zinc/91/98/94/598919894.db2.gz RMFCXMSRDFQFTC-LBPRGKRZSA-N -1 3 362.393 3.173 20 0 FGADHM C[C@H](NC(=O)NCc1coc2ccccc12)c1ccc(-c2nn[n-]n2)cc1 ZINC000736119202 598919895 /nfs/dbraw/zinc/91/98/95/598919895.db2.gz RMFCXMSRDFQFTC-LBPRGKRZSA-N -1 3 362.393 3.173 20 0 FGADHM Cc1ccc(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1OC(F)F ZINC000737355570 598929730 /nfs/dbraw/zinc/92/97/30/598929730.db2.gz IQQJNUYWLOLDIE-VQHVLOKHSA-N -1 3 371.347 3.428 20 0 FGADHM Cc1ccc(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1OC(F)F ZINC000737355570 598929732 /nfs/dbraw/zinc/92/97/32/598929732.db2.gz IQQJNUYWLOLDIE-VQHVLOKHSA-N -1 3 371.347 3.428 20 0 FGADHM CCOC(=O)Nc1ccc(Nc2ncc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000736602659 598937371 /nfs/dbraw/zinc/93/73/71/598937371.db2.gz JAOSUEGHBLXWNR-UHFFFAOYSA-N -1 3 359.777 3.227 20 0 FGADHM CCOC(=O)Nc1ccc(Nc2ncc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000736602659 598937373 /nfs/dbraw/zinc/93/73/73/598937373.db2.gz JAOSUEGHBLXWNR-UHFFFAOYSA-N -1 3 359.777 3.227 20 0 FGADHM Clc1cc(-c2nnn[n-]2)cnc1Nc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000737558932 598939219 /nfs/dbraw/zinc/93/92/19/598939219.db2.gz SCDDBQCRAYGTGF-AWEZNQCLSA-N -1 3 372.816 3.217 20 0 FGADHM Clc1cc(-c2nn[n-]n2)cnc1Nc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000737558932 598939221 /nfs/dbraw/zinc/93/92/21/598939221.db2.gz SCDDBQCRAYGTGF-AWEZNQCLSA-N -1 3 372.816 3.217 20 0 FGADHM Clc1cc(-c2nnn[n-]2)cnc1Nc1ccc(NC2CCCC2)nc1 ZINC000737558971 598940422 /nfs/dbraw/zinc/94/04/22/598940422.db2.gz UXPAKWXIQVLRSY-UHFFFAOYSA-N -1 3 356.821 3.408 20 0 FGADHM Clc1cc(-c2nn[n-]n2)cnc1Nc1ccc(NC2CCCC2)nc1 ZINC000737558971 598940424 /nfs/dbraw/zinc/94/04/24/598940424.db2.gz UXPAKWXIQVLRSY-UHFFFAOYSA-N -1 3 356.821 3.408 20 0 FGADHM Cc1ccc(CN(C(=O)Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)cc1C ZINC000737337706 598942871 /nfs/dbraw/zinc/94/28/71/598942871.db2.gz OZVUOHMPKZUFQL-UHFFFAOYSA-N -1 3 361.449 3.217 20 0 FGADHM Cc1ccc(CN(C(=O)Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)cc1C ZINC000737337706 598942872 /nfs/dbraw/zinc/94/28/72/598942872.db2.gz OZVUOHMPKZUFQL-UHFFFAOYSA-N -1 3 361.449 3.217 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)Oc1cccc(C(C)(C)C)c1 ZINC000737301352 598949445 /nfs/dbraw/zinc/94/94/45/598949445.db2.gz KJTJPVDVMPQLQS-UHFFFAOYSA-N -1 3 372.450 3.240 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)Oc1cccc(C(C)(C)C)c1 ZINC000737301352 598949446 /nfs/dbraw/zinc/94/94/46/598949446.db2.gz KJTJPVDVMPQLQS-UHFFFAOYSA-N -1 3 372.450 3.240 20 0 FGADHM CC(C)C[C@@H]1CCCCCN1C(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC000735796088 598952589 /nfs/dbraw/zinc/95/25/89/598952589.db2.gz SXSPAFAOHGLOSV-KRWDZBQOSA-N -1 3 356.474 3.096 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OCCN(C)c1ccc(C)cc1C ZINC000737032756 598983637 /nfs/dbraw/zinc/98/36/37/598983637.db2.gz NETPFMWKQOSCBD-UHFFFAOYSA-N -1 3 353.426 3.007 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OCCN(C)c1ccc(C)cc1C ZINC000737032756 598983638 /nfs/dbraw/zinc/98/36/38/598983638.db2.gz NETPFMWKQOSCBD-UHFFFAOYSA-N -1 3 353.426 3.007 20 0 FGADHM CCCCC[C@@H](NC(=O)COc1ccc(-c2nn[n-]n2)cc1)C(C)(C)C ZINC000736442622 599008496 /nfs/dbraw/zinc/00/84/96/599008496.db2.gz XSMYNYNFTXFXFI-MRXNPFEDSA-N -1 3 359.474 3.357 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)NC1(C(F)(F)F)CCCCC1 ZINC000738151469 599010792 /nfs/dbraw/zinc/01/07/92/599010792.db2.gz KODJUTFBWYLHSY-UHFFFAOYSA-N -1 3 354.336 3.253 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)NC1(C(F)(F)F)CCCCC1 ZINC000738151469 599010794 /nfs/dbraw/zinc/01/07/94/599010794.db2.gz KODJUTFBWYLHSY-UHFFFAOYSA-N -1 3 354.336 3.253 20 0 FGADHM C[C@@H](S[C@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1 ZINC000736189785 599012611 /nfs/dbraw/zinc/01/26/11/599012611.db2.gz QYZDECCAYPOPER-BMIGLBTASA-N -1 3 357.414 3.027 20 0 FGADHM C[C@@H](S[C@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1 ZINC000736189785 599012613 /nfs/dbraw/zinc/01/26/13/599012613.db2.gz QYZDECCAYPOPER-BMIGLBTASA-N -1 3 357.414 3.027 20 0 FGADHM CC[C@@H](NC(=S)NCc1ccc(-c2nnn[n-]2)cc1)c1cccs1 ZINC000736370762 599013607 /nfs/dbraw/zinc/01/36/07/599013607.db2.gz OVWBHGKNUPRJME-CYBMUJFWSA-N -1 3 358.496 3.044 20 0 FGADHM CC[C@@H](NC(=S)NCc1ccc(-c2nn[n-]n2)cc1)c1cccs1 ZINC000736370762 599013608 /nfs/dbraw/zinc/01/36/08/599013608.db2.gz OVWBHGKNUPRJME-CYBMUJFWSA-N -1 3 358.496 3.044 20 0 FGADHM C[C@H]1CN(c2ccc(F)cc2-c2nnn[n-]2)C[C@@H](c2ccc(F)cc2)O1 ZINC000820774387 599039717 /nfs/dbraw/zinc/03/97/17/599039717.db2.gz BSBSXXVJYRYFFI-GTNSWQLSSA-N -1 3 357.364 3.111 20 0 FGADHM C[C@H]1CN(c2ccc(F)cc2-c2nn[n-]n2)C[C@@H](c2ccc(F)cc2)O1 ZINC000820774387 599039719 /nfs/dbraw/zinc/03/97/19/599039719.db2.gz BSBSXXVJYRYFFI-GTNSWQLSSA-N -1 3 357.364 3.111 20 0 FGADHM Fc1cccc(NCc2nc(-c3ccc(Cl)cc3)no2)c1-c1nnn[n-]1 ZINC000737665820 599059139 /nfs/dbraw/zinc/05/91/39/599059139.db2.gz VVUOKJHIYZTHFL-UHFFFAOYSA-N -1 3 371.763 3.321 20 0 FGADHM Fc1cccc(NCc2nc(-c3ccc(Cl)cc3)no2)c1-c1nn[n-]n1 ZINC000737665820 599059141 /nfs/dbraw/zinc/05/91/41/599059141.db2.gz VVUOKJHIYZTHFL-UHFFFAOYSA-N -1 3 371.763 3.321 20 0 FGADHM CCO[C@@H](C)c1nc(CN(C)c2cccc(F)c2-c2nnn[n-]2)cs1 ZINC000821346294 599072339 /nfs/dbraw/zinc/07/23/39/599072339.db2.gz GGSNRGHXVJOEMV-JTQLQIEISA-N -1 3 362.434 3.196 20 0 FGADHM CCO[C@@H](C)c1nc(CN(C)c2cccc(F)c2-c2nn[n-]n2)cs1 ZINC000821346294 599072341 /nfs/dbraw/zinc/07/23/41/599072341.db2.gz GGSNRGHXVJOEMV-JTQLQIEISA-N -1 3 362.434 3.196 20 0 FGADHM CN(C(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F)c1ccc(-c2nnn[n-]2)cc1F ZINC000736731508 599073102 /nfs/dbraw/zinc/07/31/02/599073102.db2.gz HAFRIKVSSXAVRW-DGCLKSJQSA-N -1 3 373.338 3.051 20 0 FGADHM CN(C(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F)c1ccc(-c2nn[n-]n2)cc1F ZINC000736731508 599073105 /nfs/dbraw/zinc/07/31/05/599073105.db2.gz HAFRIKVSSXAVRW-DGCLKSJQSA-N -1 3 373.338 3.051 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000737291099 599073323 /nfs/dbraw/zinc/07/33/23/599073323.db2.gz HXPFRYKFZAHBJP-GXTWGEPZSA-N -1 3 355.348 3.196 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000737291099 599073326 /nfs/dbraw/zinc/07/33/26/599073326.db2.gz HXPFRYKFZAHBJP-GXTWGEPZSA-N -1 3 355.348 3.196 20 0 FGADHM CS[C@H]1CC[C@@H](Nc2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)C1 ZINC000821950355 599075998 /nfs/dbraw/zinc/07/59/98/599075998.db2.gz MQHBUXUTYBAOGC-MNOVXSKESA-N -1 3 360.874 3.186 20 0 FGADHM CS[C@H]1CC[C@@H](Nc2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)C1 ZINC000821950355 599076000 /nfs/dbraw/zinc/07/60/00/599076000.db2.gz MQHBUXUTYBAOGC-MNOVXSKESA-N -1 3 360.874 3.186 20 0 FGADHM O=C(c1sccc1-c1nnn[n-]1)N(Cc1ccoc1)C1CCCCC1 ZINC000738291082 599086252 /nfs/dbraw/zinc/08/62/52/599086252.db2.gz CHYNCOPIHTXOHU-UHFFFAOYSA-N -1 3 357.439 3.496 20 0 FGADHM O=C(c1sccc1-c1nn[n-]n1)N(Cc1ccoc1)C1CCCCC1 ZINC000738291082 599086254 /nfs/dbraw/zinc/08/62/54/599086254.db2.gz CHYNCOPIHTXOHU-UHFFFAOYSA-N -1 3 357.439 3.496 20 0 FGADHM CO[C@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)c1cccc(Cl)c1 ZINC000821678445 599090186 /nfs/dbraw/zinc/09/01/86/599090186.db2.gz NUUYYFVYUWWQLP-CYBMUJFWSA-N -1 3 365.224 3.368 20 0 FGADHM CO[C@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)c1cccc(Cl)c1 ZINC000821678445 599090189 /nfs/dbraw/zinc/09/01/89/599090189.db2.gz NUUYYFVYUWWQLP-CYBMUJFWSA-N -1 3 365.224 3.368 20 0 FGADHM CCO[C@@H]1C[C@H](N(C)C(=O)c2ccc(-c3nnn[n-]3)cc2)C12CCCCC2 ZINC000736614608 599097218 /nfs/dbraw/zinc/09/72/18/599097218.db2.gz HLMIZKAGFRBBOB-DLBZAZTESA-N -1 3 369.469 3.067 20 0 FGADHM CCO[C@@H]1C[C@H](N(C)C(=O)c2ccc(-c3nn[n-]n3)cc2)C12CCCCC2 ZINC000736614608 599097221 /nfs/dbraw/zinc/09/72/21/599097221.db2.gz HLMIZKAGFRBBOB-DLBZAZTESA-N -1 3 369.469 3.067 20 0 FGADHM CCS[C@H]1CC[C@H](N(C)c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)C1 ZINC000821448859 599098601 /nfs/dbraw/zinc/09/86/01/599098601.db2.gz OTRHQBUGBQMIME-UWVGGRQHSA-N -1 3 372.420 3.391 20 0 FGADHM CCS[C@H]1CC[C@H](N(C)c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)C1 ZINC000821448859 599098603 /nfs/dbraw/zinc/09/86/03/599098603.db2.gz OTRHQBUGBQMIME-UWVGGRQHSA-N -1 3 372.420 3.391 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NC[C@H](C)C(C)(C)C ZINC000736482241 599104210 /nfs/dbraw/zinc/10/42/10/599104210.db2.gz YWHGFOXBSQNNGY-AWEZNQCLSA-N -1 3 358.490 3.471 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@H](C)C(C)(C)C ZINC000736482241 599104213 /nfs/dbraw/zinc/10/42/13/599104213.db2.gz YWHGFOXBSQNNGY-AWEZNQCLSA-N -1 3 358.490 3.471 20 0 FGADHM CCOc1ccc(NC(=O)[C@@H](C)Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000736647994 599110012 /nfs/dbraw/zinc/11/00/12/599110012.db2.gz WEYGQDXKUPCQLO-GFCCVEGCSA-N -1 3 369.450 3.385 20 0 FGADHM CCOc1ccc(NC(=O)[C@@H](C)Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000736647994 599110014 /nfs/dbraw/zinc/11/00/14/599110014.db2.gz WEYGQDXKUPCQLO-GFCCVEGCSA-N -1 3 369.450 3.385 20 0 FGADHM C[C@@H]1CCN(C)c2ccccc2N1C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000736276723 599112777 /nfs/dbraw/zinc/11/27/77/599112777.db2.gz OTFIQKIXJCUMQB-QYMJWVLRSA-N -1 3 374.448 3.142 20 0 FGADHM C[C@@H]1CCN(C)c2ccccc2N1C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000736276723 599112780 /nfs/dbraw/zinc/11/27/80/599112780.db2.gz OTFIQKIXJCUMQB-QYMJWVLRSA-N -1 3 374.448 3.142 20 0 FGADHM O=C(/C=C\C1CC1)Nc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822924230 599142997 /nfs/dbraw/zinc/14/29/97/599142997.db2.gz ZHXMBPVUAUPLTR-KTKRTIGZSA-N -1 3 361.405 3.350 20 0 FGADHM O=C(/C=C\C1CC1)Nc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822924230 599142999 /nfs/dbraw/zinc/14/29/99/599142999.db2.gz ZHXMBPVUAUPLTR-KTKRTIGZSA-N -1 3 361.405 3.350 20 0 FGADHM O=C(C[C@@H]1CCc2ccccc21)OCc1cc(-c2nnn[n-]2)ccc1F ZINC000737818289 599146244 /nfs/dbraw/zinc/14/62/44/599146244.db2.gz HQZDTYWZNJAYFM-ZDUSSCGKSA-N -1 3 352.369 3.169 20 0 FGADHM O=C(C[C@@H]1CCc2ccccc21)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000737818289 599146247 /nfs/dbraw/zinc/14/62/47/599146247.db2.gz HQZDTYWZNJAYFM-ZDUSSCGKSA-N -1 3 352.369 3.169 20 0 FGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cccc2cc[nH]c21 ZINC000820120325 599146348 /nfs/dbraw/zinc/14/63/48/599146348.db2.gz BYUOCOJXHYROCB-UHFFFAOYSA-N -1 3 360.421 3.399 20 0 FGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cccc2cc[nH]c21 ZINC000820120325 599146350 /nfs/dbraw/zinc/14/63/50/599146350.db2.gz BYUOCOJXHYROCB-UHFFFAOYSA-N -1 3 360.421 3.399 20 0 FGADHM CCCOc1ccc(CCC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000821134629 599151177 /nfs/dbraw/zinc/15/11/77/599151177.db2.gz ZWHKXURXJAIMLY-UHFFFAOYSA-N -1 3 369.400 3.366 20 0 FGADHM CCCOc1ccc(CCC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000821134629 599151179 /nfs/dbraw/zinc/15/11/79/599151179.db2.gz ZWHKXURXJAIMLY-UHFFFAOYSA-N -1 3 369.400 3.366 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)[C@H]1SCCc2sccc21 ZINC000823332598 599152430 /nfs/dbraw/zinc/15/24/30/599152430.db2.gz OZQQYYCMMSDYRL-ZDUSSCGKSA-N -1 3 361.427 3.036 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)[C@H]1SCCc2sccc21 ZINC000823332598 599152432 /nfs/dbraw/zinc/15/24/32/599152432.db2.gz OZQQYYCMMSDYRL-ZDUSSCGKSA-N -1 3 361.427 3.036 20 0 FGADHM Fc1ccccc1SCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000737670572 599158614 /nfs/dbraw/zinc/15/86/14/599158614.db2.gz VVYHBFZTNCJGGD-UHFFFAOYSA-N -1 3 354.370 3.348 20 0 FGADHM Fc1ccccc1SCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000737670572 599158617 /nfs/dbraw/zinc/15/86/17/599158617.db2.gz VVYHBFZTNCJGGD-UHFFFAOYSA-N -1 3 354.370 3.348 20 0 FGADHM CN(C(=O)[C@@H]1C[C@H]1c1c(F)cccc1F)c1ccc(-c2nnn[n-]2)cc1F ZINC000736730632 599160385 /nfs/dbraw/zinc/16/03/85/599160385.db2.gz BMEBKOUSQCNHNE-GHMZBOCLSA-N -1 3 373.338 3.051 20 0 FGADHM CN(C(=O)[C@@H]1C[C@H]1c1c(F)cccc1F)c1ccc(-c2nn[n-]n2)cc1F ZINC000736730632 599160387 /nfs/dbraw/zinc/16/03/87/599160387.db2.gz BMEBKOUSQCNHNE-GHMZBOCLSA-N -1 3 373.338 3.051 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)C[C@H](C)c1cccc(F)c1 ZINC000737024592 599160701 /nfs/dbraw/zinc/16/07/01/599160701.db2.gz KTQMEVKXPBTLFD-NSHDSACASA-N -1 3 356.357 3.114 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)C[C@H](C)c1cccc(F)c1 ZINC000737024592 599160702 /nfs/dbraw/zinc/16/07/02/599160702.db2.gz KTQMEVKXPBTLFD-NSHDSACASA-N -1 3 356.357 3.114 20 0 FGADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCC[C@H](C(C)(C)C)CC1 ZINC000736170600 599161946 /nfs/dbraw/zinc/16/19/46/599161946.db2.gz QRRYACZLFICGOR-ZBFHGGJFSA-N -1 3 371.485 3.309 20 0 FGADHM COc1ccccc1NC(=O)[C@@H](C)Sc1ccc(-c2nnn[n-]2)cc1F ZINC000737152386 599166375 /nfs/dbraw/zinc/16/63/75/599166375.db2.gz KWGXYVYVRUCCBJ-SNVBAGLBSA-N -1 3 373.413 3.134 20 0 FGADHM COc1ccccc1NC(=O)[C@@H](C)Sc1ccc(-c2nn[n-]n2)cc1F ZINC000737152386 599166378 /nfs/dbraw/zinc/16/63/78/599166378.db2.gz KWGXYVYVRUCCBJ-SNVBAGLBSA-N -1 3 373.413 3.134 20 0 FGADHM CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736352288 599166771 /nfs/dbraw/zinc/16/67/71/599166771.db2.gz KJWVAWYRIUEXPL-INIZCTEOSA-N -1 3 355.829 3.271 20 0 FGADHM CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736352288 599166774 /nfs/dbraw/zinc/16/67/74/599166774.db2.gz KJWVAWYRIUEXPL-INIZCTEOSA-N -1 3 355.829 3.271 20 0 FGADHM C[C@H]1CCCC[C@H]1N(C)C(=O)CSc1ccc(-c2nnn[n-]2)cc1F ZINC000736273208 599171428 /nfs/dbraw/zinc/17/14/28/599171428.db2.gz RCXLEDQSCJPUBB-SMDDNHRTSA-N -1 3 363.462 3.135 20 0 FGADHM C[C@H]1CCCC[C@H]1N(C)C(=O)CSc1ccc(-c2nn[n-]n2)cc1F ZINC000736273208 599171430 /nfs/dbraw/zinc/17/14/30/599171430.db2.gz RCXLEDQSCJPUBB-SMDDNHRTSA-N -1 3 363.462 3.135 20 0 FGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1F)Nc1c(F)cccc1F ZINC000737946817 599172008 /nfs/dbraw/zinc/17/20/08/599172008.db2.gz GAOLJUZPWXKONK-UHFFFAOYSA-N -1 3 365.340 3.015 20 0 FGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1F)Nc1c(F)cccc1F ZINC000737946817 599172009 /nfs/dbraw/zinc/17/20/09/599172009.db2.gz GAOLJUZPWXKONK-UHFFFAOYSA-N -1 3 365.340 3.015 20 0 FGADHM c1cc(Oc2ccc(-c3nnn[n-]3)cc2)ccc1OC[C@H]1CCCOC1 ZINC000823762084 607259399 /nfs/dbraw/zinc/25/93/99/607259399.db2.gz HWLFMQOWKJOXAW-AWEZNQCLSA-N -1 3 352.394 3.464 20 0 FGADHM c1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1OC[C@H]1CCCOC1 ZINC000823762084 607259400 /nfs/dbraw/zinc/25/94/00/607259400.db2.gz HWLFMQOWKJOXAW-AWEZNQCLSA-N -1 3 352.394 3.464 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@H]1CCSc2ccccc21 ZINC000737026007 599179818 /nfs/dbraw/zinc/17/98/18/599179818.db2.gz UCQCLMTXNHOVFQ-ZDUSSCGKSA-N -1 3 368.418 3.060 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@H]1CCSc2ccccc21 ZINC000737026007 599179820 /nfs/dbraw/zinc/17/98/20/599179820.db2.gz UCQCLMTXNHOVFQ-ZDUSSCGKSA-N -1 3 368.418 3.060 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccc(OC)cc1C ZINC000736481749 599182311 /nfs/dbraw/zinc/18/23/11/599182311.db2.gz UPBGRNNIICOPPI-UHFFFAOYSA-N -1 3 365.437 3.236 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccc(OC)cc1C ZINC000736481749 599182314 /nfs/dbraw/zinc/18/23/14/599182314.db2.gz UPBGRNNIICOPPI-UHFFFAOYSA-N -1 3 365.437 3.236 20 0 FGADHM CC1(NC(=O)NCCSCc2ccccc2-c2nnn[n-]2)CCCCC1 ZINC000736222111 599187442 /nfs/dbraw/zinc/18/74/42/599187442.db2.gz DNEGXMTXRXLFIY-UHFFFAOYSA-N -1 3 374.514 3.122 20 0 FGADHM CC1(NC(=O)NCCSCc2ccccc2-c2nn[n-]n2)CCCCC1 ZINC000736222111 599187444 /nfs/dbraw/zinc/18/74/44/599187444.db2.gz DNEGXMTXRXLFIY-UHFFFAOYSA-N -1 3 374.514 3.122 20 0 FGADHM CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000821033591 599194747 /nfs/dbraw/zinc/19/47/47/599194747.db2.gz CDKVJPNXNAWAOJ-IJEWVQPXSA-N -1 3 357.458 3.061 20 0 FGADHM CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000821033591 599194749 /nfs/dbraw/zinc/19/47/49/599194749.db2.gz CDKVJPNXNAWAOJ-IJEWVQPXSA-N -1 3 357.458 3.061 20 0 FGADHM CC[C@@]1(C)CCCN(C(=O)[C@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)C1 ZINC000820950519 599201880 /nfs/dbraw/zinc/20/18/80/599201880.db2.gz OTKULAYCKPPWLH-XLIONFOSSA-N -1 3 371.485 3.309 20 0 FGADHM CC[C@@]1(C)CCCN(C(=O)[C@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)C1 ZINC000820950519 599201882 /nfs/dbraw/zinc/20/18/82/599201882.db2.gz OTKULAYCKPPWLH-XLIONFOSSA-N -1 3 371.485 3.309 20 0 FGADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCCCCC1CCCC1 ZINC000820542649 599206053 /nfs/dbraw/zinc/20/60/53/599206053.db2.gz PSTDQMBHNBAVLO-AWEZNQCLSA-N -1 3 357.458 3.111 20 0 FGADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCCCCC1CCCC1 ZINC000820542649 599206054 /nfs/dbraw/zinc/20/60/54/599206054.db2.gz PSTDQMBHNBAVLO-AWEZNQCLSA-N -1 3 357.458 3.111 20 0 FGADHM Cc1nnc(NCCCc2ccc(C(C)C)cc2)c(-c2nnn[n-]2)c1C ZINC000737519895 599206411 /nfs/dbraw/zinc/20/64/11/599206411.db2.gz FPAIECRLDGYDDH-UHFFFAOYSA-N -1 3 351.458 3.442 20 0 FGADHM Cc1nnc(NCCCc2ccc(C(C)C)cc2)c(-c2nn[n-]n2)c1C ZINC000737519895 599206414 /nfs/dbraw/zinc/20/64/14/599206414.db2.gz FPAIECRLDGYDDH-UHFFFAOYSA-N -1 3 351.458 3.442 20 0 FGADHM COCCN(C(=O)c1cccc(C(F)F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736987786 599203175 /nfs/dbraw/zinc/20/31/75/599203175.db2.gz GFXGFCYTJCAQHM-UHFFFAOYSA-N -1 3 373.363 3.098 20 0 FGADHM COCCN(C(=O)c1cccc(C(F)F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736987786 599203177 /nfs/dbraw/zinc/20/31/77/599203177.db2.gz GFXGFCYTJCAQHM-UHFFFAOYSA-N -1 3 373.363 3.098 20 0 FGADHM CCC(CC)c1cc(CNC(=O)C=Cc2ccccc2-c2nnn[n-]2)on1 ZINC000736350132 599209638 /nfs/dbraw/zinc/20/96/38/599209638.db2.gz LUHOGQGQGRGOJH-KTKRTIGZSA-N -1 3 366.425 3.088 20 0 FGADHM CCC(CC)c1cc(CNC(=O)C=Cc2ccccc2-c2nn[n-]n2)on1 ZINC000736350132 599209640 /nfs/dbraw/zinc/20/96/40/599209640.db2.gz LUHOGQGQGRGOJH-KTKRTIGZSA-N -1 3 366.425 3.088 20 0 FGADHM CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)c2ccc(-c3nnn[n-]3)cn2)o1 ZINC000821481991 599220521 /nfs/dbraw/zinc/22/05/21/599220521.db2.gz PCKDEMHJRNASFT-WBMJQRKESA-N -1 3 366.425 3.031 20 0 FGADHM CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)c2ccc(-c3nn[n-]n3)cn2)o1 ZINC000821481991 599220523 /nfs/dbraw/zinc/22/05/23/599220523.db2.gz PCKDEMHJRNASFT-WBMJQRKESA-N -1 3 366.425 3.031 20 0 FGADHM c1cc(OCCSCCc2ccc3c(c2)CCO3)cc(-c2nnn[n-]2)c1 ZINC000823762102 599224885 /nfs/dbraw/zinc/22/48/85/599224885.db2.gz IOYFVDVGYISHJB-UHFFFAOYSA-N -1 3 368.462 3.156 20 0 FGADHM c1cc(OCCSCCc2ccc3c(c2)CCO3)cc(-c2nn[n-]n2)c1 ZINC000823762102 599224887 /nfs/dbraw/zinc/22/48/87/599224887.db2.gz IOYFVDVGYISHJB-UHFFFAOYSA-N -1 3 368.462 3.156 20 0 FGADHM CC(C)(CNC(=O)C=Cc1ccccc1-c1nnn[n-]1)Cc1ccccc1 ZINC000735665639 599225592 /nfs/dbraw/zinc/22/55/92/599225592.db2.gz IQZYYMFQOUNLLR-OUKQBFOZSA-N -1 3 361.449 3.265 20 0 FGADHM CC(C)(CNC(=O)C=Cc1ccccc1-c1nn[n-]n1)Cc1ccccc1 ZINC000735665639 599225593 /nfs/dbraw/zinc/22/55/93/599225593.db2.gz IQZYYMFQOUNLLR-OUKQBFOZSA-N -1 3 361.449 3.265 20 0 FGADHM CS[C@@H]1CCC[C@H](Nc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)C1 ZINC000737179469 599233226 /nfs/dbraw/zinc/23/32/26/599233226.db2.gz KTDLEYKGQZUOHC-DTWKUNHWSA-N -1 3 358.393 3.367 20 0 FGADHM CS[C@@H]1CCC[C@H](Nc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)C1 ZINC000737179469 599233229 /nfs/dbraw/zinc/23/32/29/599233229.db2.gz KTDLEYKGQZUOHC-DTWKUNHWSA-N -1 3 358.393 3.367 20 0 FGADHM CCc1cccc(NC(=S)NCc2cc(-c3nnn[n-]3)ccc2F)c1 ZINC000821492314 599228126 /nfs/dbraw/zinc/22/81/26/599228126.db2.gz LJFSSELUAYZAFK-UHFFFAOYSA-N -1 3 356.430 3.055 20 0 FGADHM CCc1cccc(NC(=S)NCc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC000821492314 599228128 /nfs/dbraw/zinc/22/81/28/599228128.db2.gz LJFSSELUAYZAFK-UHFFFAOYSA-N -1 3 356.430 3.055 20 0 FGADHM CC[C@@H]1CN(C(=O)C=Cc2ccccc2-c2nnn[n-]2)c2ccccc2O1 ZINC000736413732 599228293 /nfs/dbraw/zinc/22/82/93/599228293.db2.gz ZGAKOFGUJJLJAG-AYJWMTRPSA-N -1 3 361.405 3.084 20 0 FGADHM CC[C@@H]1CN(C(=O)C=Cc2ccccc2-c2nn[n-]n2)c2ccccc2O1 ZINC000736413732 599228296 /nfs/dbraw/zinc/22/82/96/599228296.db2.gz ZGAKOFGUJJLJAG-AYJWMTRPSA-N -1 3 361.405 3.084 20 0 FGADHM FC(F)(F)C1(C(F)(F)F)CCN(c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737627731 599234398 /nfs/dbraw/zinc/23/43/98/599234398.db2.gz PLFTXAWUKLUBOT-UHFFFAOYSA-N -1 3 351.254 3.188 20 0 FGADHM CC1(C)C[C@H](NC(=O)C=Cc2ccccc2-c2nnn[n-]2)c2ccccc21 ZINC000820586698 607265877 /nfs/dbraw/zinc/26/58/77/607265877.db2.gz ZAINBOZRSYXIJX-DXRVJIQQSA-N -1 3 359.433 3.419 20 0 FGADHM CC1(C)C[C@H](NC(=O)C=Cc2ccccc2-c2nn[n-]n2)c2ccccc21 ZINC000820586698 607265878 /nfs/dbraw/zinc/26/58/78/607265878.db2.gz ZAINBOZRSYXIJX-DXRVJIQQSA-N -1 3 359.433 3.419 20 0 FGADHM C[C@@H](NC(=S)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1cccs1 ZINC000820403955 599237343 /nfs/dbraw/zinc/23/73/43/599237343.db2.gz NLRWGYBFTDKHMB-WDEREUQCSA-N -1 3 358.496 3.215 20 0 FGADHM C[C@@H](NC(=S)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1cccs1 ZINC000820403955 599237345 /nfs/dbraw/zinc/23/73/45/599237345.db2.gz NLRWGYBFTDKHMB-WDEREUQCSA-N -1 3 358.496 3.215 20 0 FGADHM C[C@H]1CC[C@H](C)N(C(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000820686145 599238672 /nfs/dbraw/zinc/23/86/72/599238672.db2.gz XMIHGIRMNDSWSG-UWVGGRQHSA-N -1 3 350.879 3.337 20 0 FGADHM C[C@H]1CC[C@H](C)N(C(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000820686145 599238674 /nfs/dbraw/zinc/23/86/74/599238674.db2.gz XMIHGIRMNDSWSG-UWVGGRQHSA-N -1 3 350.879 3.337 20 0 FGADHM Cc1c(NC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)cccc1-c1nnn[n-]1 ZINC000822061546 607267901 /nfs/dbraw/zinc/26/79/01/607267901.db2.gz PTZIFQHOYZEGBI-WDEREUQCSA-N -1 3 353.348 3.482 20 0 FGADHM Cc1c(NC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)cccc1-c1nn[n-]n1 ZINC000822061546 607267902 /nfs/dbraw/zinc/26/79/02/607267902.db2.gz PTZIFQHOYZEGBI-WDEREUQCSA-N -1 3 353.348 3.482 20 0 FGADHM Cc1c(NC(=O)c2ccc(-n3cccc3)c(F)c2)cccc1-c1nnn[n-]1 ZINC000822109329 607270749 /nfs/dbraw/zinc/27/07/49/607270749.db2.gz QOPFKQULEQSMSA-UHFFFAOYSA-N -1 3 362.368 3.357 20 0 FGADHM Cc1c(NC(=O)c2ccc(-n3cccc3)c(F)c2)cccc1-c1nn[n-]n1 ZINC000822109329 607270750 /nfs/dbraw/zinc/27/07/50/607270750.db2.gz QOPFKQULEQSMSA-UHFFFAOYSA-N -1 3 362.368 3.357 20 0 FGADHM Cc1c(NC(=O)Cc2ccc(OCC(C)C)cc2)cccc1-c1nnn[n-]1 ZINC000822076716 607269098 /nfs/dbraw/zinc/26/90/98/607269098.db2.gz RDNOUPHLLIWBEB-UHFFFAOYSA-N -1 3 365.437 3.391 20 0 FGADHM Cc1c(NC(=O)Cc2ccc(OCC(C)C)cc2)cccc1-c1nn[n-]n1 ZINC000822076716 607269099 /nfs/dbraw/zinc/26/90/99/607269099.db2.gz RDNOUPHLLIWBEB-UHFFFAOYSA-N -1 3 365.437 3.391 20 0 FGADHM C[C@@H](CNC(=O)Nc1cccc(-c2nnn[n-]2)c1)Sc1ccccc1 ZINC000820270293 599244583 /nfs/dbraw/zinc/24/45/83/599244583.db2.gz ZJXMLEVBUWBNQW-LBPRGKRZSA-N -1 3 354.439 3.169 20 0 FGADHM C[C@@H](CNC(=O)Nc1cccc(-c2nn[n-]n2)c1)Sc1ccccc1 ZINC000820270293 599244586 /nfs/dbraw/zinc/24/45/86/599244586.db2.gz ZJXMLEVBUWBNQW-LBPRGKRZSA-N -1 3 354.439 3.169 20 0 FGADHM C[C@H](CNC(=O)Nc1cccc(-c2nnn[n-]2)c1)Oc1ccccc1Cl ZINC000820269305 599244908 /nfs/dbraw/zinc/24/49/08/599244908.db2.gz JHXULPQMMWNUCT-LLVKDONJSA-N -1 3 372.816 3.109 20 0 FGADHM C[C@H](CNC(=O)Nc1cccc(-c2nn[n-]n2)c1)Oc1ccccc1Cl ZINC000820269305 599244909 /nfs/dbraw/zinc/24/49/09/599244909.db2.gz JHXULPQMMWNUCT-LLVKDONJSA-N -1 3 372.816 3.109 20 0 FGADHM CC(C)c1csc(NC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000820197965 599248634 /nfs/dbraw/zinc/24/86/34/599248634.db2.gz PVLVQDAISHWYEY-SNVBAGLBSA-N -1 3 357.443 3.329 20 0 FGADHM CC(C)c1csc(NC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000820197965 599248636 /nfs/dbraw/zinc/24/86/36/599248636.db2.gz PVLVQDAISHWYEY-SNVBAGLBSA-N -1 3 357.443 3.329 20 0 FGADHM Cc1c(NC(=O)NCC2(c3cccc(F)c3)CC2)cccc1-c1nnn[n-]1 ZINC000822097401 607282807 /nfs/dbraw/zinc/28/28/07/607282807.db2.gz XZNZQFWTHQIWDF-UHFFFAOYSA-N -1 3 366.400 3.168 20 0 FGADHM Cc1c(NC(=O)NCC2(c3cccc(F)c3)CC2)cccc1-c1nn[n-]n1 ZINC000822097401 607282808 /nfs/dbraw/zinc/28/28/08/607282808.db2.gz XZNZQFWTHQIWDF-UHFFFAOYSA-N -1 3 366.400 3.168 20 0 FGADHM Cc1c(NC(=O)N2CCc3sccc3[C@@H]2C)cccc1-c1nnn[n-]1 ZINC000822091882 607287557 /nfs/dbraw/zinc/28/75/57/607287557.db2.gz ULAITXFQWZLEIZ-NSHDSACASA-N -1 3 354.439 3.388 20 0 FGADHM Cc1c(NC(=O)N2CCc3sccc3[C@@H]2C)cccc1-c1nn[n-]n1 ZINC000822091882 607287558 /nfs/dbraw/zinc/28/75/58/607287558.db2.gz ULAITXFQWZLEIZ-NSHDSACASA-N -1 3 354.439 3.388 20 0 FGADHM CCOCCC1(CNC(=O)Nc2cccc(-c3nnn[n-]3)c2C)CCCC1 ZINC000821374628 607285443 /nfs/dbraw/zinc/28/54/43/607285443.db2.gz YQDIXHWKAIXJFG-UHFFFAOYSA-N -1 3 372.473 3.284 20 0 FGADHM CCOCCC1(CNC(=O)Nc2cccc(-c3nn[n-]n3)c2C)CCCC1 ZINC000821374628 607285444 /nfs/dbraw/zinc/28/54/44/607285444.db2.gz YQDIXHWKAIXJFG-UHFFFAOYSA-N -1 3 372.473 3.284 20 0 FGADHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2N[C@@H]1CCc2ccccc21 ZINC000737262491 599262152 /nfs/dbraw/zinc/26/21/52/599262152.db2.gz HLRIUOINFQHCJH-QGZVFWFLSA-N -1 3 360.396 3.384 20 0 FGADHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2N[C@@H]1CCc2ccccc21 ZINC000737262491 599262155 /nfs/dbraw/zinc/26/21/55/599262155.db2.gz HLRIUOINFQHCJH-QGZVFWFLSA-N -1 3 360.396 3.384 20 0 FGADHM Cc1c(NC(=O)N(C)[C@@H](C)c2cccc(O)c2)cccc1-c1nnn[n-]1 ZINC000822075709 607290488 /nfs/dbraw/zinc/29/04/88/607290488.db2.gz HTEBJYOBHFLKHD-LBPRGKRZSA-N -1 3 352.398 3.106 20 0 FGADHM Cc1c(NC(=O)N(C)[C@@H](C)c2cccc(O)c2)cccc1-c1nn[n-]n1 ZINC000822075709 607290489 /nfs/dbraw/zinc/29/04/89/607290489.db2.gz HTEBJYOBHFLKHD-LBPRGKRZSA-N -1 3 352.398 3.106 20 0 FGADHM COc1ccc([C@@H](C)NC(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1 ZINC000821777228 607292200 /nfs/dbraw/zinc/29/22/00/607292200.db2.gz CLPDNZDPHSHPEY-GFCCVEGCSA-N -1 3 352.398 3.066 20 0 FGADHM COc1ccc([C@@H](C)NC(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1 ZINC000821777228 607292201 /nfs/dbraw/zinc/29/22/01/607292201.db2.gz CLPDNZDPHSHPEY-GFCCVEGCSA-N -1 3 352.398 3.066 20 0 FGADHM Cc1cc(F)cc2[nH]c(C(=O)Nc3cccc(-c4nnn[n-]4)c3C)cc21 ZINC000822108952 607296147 /nfs/dbraw/zinc/29/61/47/607296147.db2.gz NKDNCLRCSLPCOO-UHFFFAOYSA-N -1 3 350.357 3.356 20 0 FGADHM Cc1cc(F)cc2[nH]c(C(=O)Nc3cccc(-c4nn[n-]n4)c3C)cc21 ZINC000822108952 607296148 /nfs/dbraw/zinc/29/61/48/607296148.db2.gz NKDNCLRCSLPCOO-UHFFFAOYSA-N -1 3 350.357 3.356 20 0 FGADHM Cc1c(NC(=O)c2cc(Cl)c(Cl)n2C)cccc1-c1nnn[n-]1 ZINC000822108936 607297602 /nfs/dbraw/zinc/29/76/02/607297602.db2.gz MKRRGMRHYPOMOA-UHFFFAOYSA-N -1 3 351.197 3.073 20 0 FGADHM Cc1c(NC(=O)c2cc(Cl)c(Cl)n2C)cccc1-c1nn[n-]n1 ZINC000822108936 607297603 /nfs/dbraw/zinc/29/76/03/607297603.db2.gz MKRRGMRHYPOMOA-UHFFFAOYSA-N -1 3 351.197 3.073 20 0 FGADHM Cc1ccc2cccc(NC(=O)c3ncc(-c4nnn[n-]4)cc3Cl)c2n1 ZINC000822280034 607300715 /nfs/dbraw/zinc/30/07/15/607300715.db2.gz IAWJBRZUHRDVMS-UHFFFAOYSA-N -1 3 365.784 3.024 20 0 FGADHM Cc1ccc2cccc(NC(=O)c3ncc(-c4nn[n-]n4)cc3Cl)c2n1 ZINC000822280034 607300716 /nfs/dbraw/zinc/30/07/16/607300716.db2.gz IAWJBRZUHRDVMS-UHFFFAOYSA-N -1 3 365.784 3.024 20 0 FGADHM Cc1cc(F)cc(NCC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000822203429 607307436 /nfs/dbraw/zinc/30/74/36/607307436.db2.gz SZFMFRXNFCERBE-UHFFFAOYSA-N -1 3 360.780 3.018 20 0 FGADHM Cc1cc(F)cc(NCC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000822203429 607307437 /nfs/dbraw/zinc/30/74/37/607307437.db2.gz SZFMFRXNFCERBE-UHFFFAOYSA-N -1 3 360.780 3.018 20 0 FGADHM COCc1c(Br)cccc1NCc1cccc(-c2nnn[n-]2)c1 ZINC000821695153 607314300 /nfs/dbraw/zinc/31/43/00/607314300.db2.gz LKFNKCLVASVSAI-UHFFFAOYSA-N -1 3 374.242 3.388 20 0 FGADHM COCc1c(Br)cccc1NCc1cccc(-c2nn[n-]n2)c1 ZINC000821695153 607314301 /nfs/dbraw/zinc/31/43/01/607314301.db2.gz LKFNKCLVASVSAI-UHFFFAOYSA-N -1 3 374.242 3.388 20 0 FGADHM CCCC[C@@H](CC)C(=O)NC1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000736438751 599278877 /nfs/dbraw/zinc/27/88/77/599278877.db2.gz KNKWVVJAGVYAIV-OAHLLOKOSA-N -1 3 370.501 3.168 20 0 FGADHM CCCC[C@@H](CC)C(=O)NC1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000736438751 599278879 /nfs/dbraw/zinc/27/88/79/599278879.db2.gz KNKWVVJAGVYAIV-OAHLLOKOSA-N -1 3 370.501 3.168 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)c1cc2cc(F)ccc2o1 ZINC000738236046 599279826 /nfs/dbraw/zinc/27/98/26/599279826.db2.gz QKCCACPJTFRRRF-UHFFFAOYSA-N -1 3 356.288 3.248 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)c1cc2cc(F)ccc2o1 ZINC000738236046 599279829 /nfs/dbraw/zinc/27/98/29/599279829.db2.gz QKCCACPJTFRRRF-UHFFFAOYSA-N -1 3 356.288 3.248 20 0 FGADHM C[C@@H]1CCCCN1C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820706320 599289323 /nfs/dbraw/zinc/28/93/23/599289323.db2.gz YTWLIRMBROGYLY-SECBINFHSA-N -1 3 354.336 3.292 20 0 FGADHM C[C@@H]1CCCCN1C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820706320 599289326 /nfs/dbraw/zinc/28/93/26/599289326.db2.gz YTWLIRMBROGYLY-SECBINFHSA-N -1 3 354.336 3.292 20 0 FGADHM C[C@@H]1SCCN(C(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)[C@H]1C ZINC000736301095 599290221 /nfs/dbraw/zinc/29/02/21/599290221.db2.gz KTRPCRHBSYZTFC-IUCAKERBSA-N -1 3 368.919 3.043 20 0 FGADHM C[C@@H]1SCCN(C(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)[C@H]1C ZINC000736301095 599290222 /nfs/dbraw/zinc/29/02/22/599290222.db2.gz KTRPCRHBSYZTFC-IUCAKERBSA-N -1 3 368.919 3.043 20 0 FGADHM C[C@H]1CC[C@@H](NC(=O)CNc2ccc(-c3nn[n-]n3)cc2)c2ccccc21 ZINC000824917861 607779966 /nfs/dbraw/zinc/77/99/66/607779966.db2.gz OJETUBPHTUDFOP-SCLBCKFNSA-N -1 3 362.437 3.033 20 0 FGADHM Cc1ocnc1C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737557947 598232145 /nfs/dbraw/zinc/23/21/45/598232145.db2.gz XXVPLAUCAKXSSN-UHFFFAOYSA-N -1 3 362.349 3.208 20 0 FGADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)CCC1CCCCC1 ZINC000736164365 598232555 /nfs/dbraw/zinc/23/25/55/598232555.db2.gz NGDWCDXEWMBUDY-AWEZNQCLSA-N -1 3 357.458 3.063 20 0 FGADHM O=C(CCC1CCCC1)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000737822096 598235442 /nfs/dbraw/zinc/23/54/42/598235442.db2.gz BYCIDVMLSBIIOQ-UHFFFAOYSA-N -1 3 369.469 3.207 20 0 FGADHM O=C(CCC1CCCC1)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000737822096 598235443 /nfs/dbraw/zinc/23/54/43/598235443.db2.gz BYCIDVMLSBIIOQ-UHFFFAOYSA-N -1 3 369.469 3.207 20 0 FGADHM CC(C)NC(=O)Nc1ccc(CNc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000735888511 598237740 /nfs/dbraw/zinc/23/77/40/598237740.db2.gz LLARBZUTGLUXLG-UHFFFAOYSA-N -1 3 369.404 3.148 20 0 FGADHM Fc1ccc(Br)c(CSc2cc(-c3nnn[n-]3)ccn2)c1 ZINC000737650264 598278222 /nfs/dbraw/zinc/27/82/22/598278222.db2.gz OFRHDYNSHFPCDQ-UHFFFAOYSA-N -1 3 366.219 3.456 20 0 FGADHM Fc1ccc(Br)c(CSc2cc(-c3nn[n-]n3)ccn2)c1 ZINC000737650264 598278223 /nfs/dbraw/zinc/27/82/23/598278223.db2.gz OFRHDYNSHFPCDQ-UHFFFAOYSA-N -1 3 366.219 3.456 20 0 FGADHM CN(C(=O)C=Cc1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000736732587 598281270 /nfs/dbraw/zinc/28/12/70/598281270.db2.gz MQNGXZDIFZYJKN-WTKPLQERSA-N -1 3 357.776 3.335 20 0 FGADHM CN(C(=O)C=Cc1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736732587 598281272 /nfs/dbraw/zinc/28/12/72/598281272.db2.gz MQNGXZDIFZYJKN-WTKPLQERSA-N -1 3 357.776 3.335 20 0 FGADHM CN(C(=O)C=Cc1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000736732581 598281503 /nfs/dbraw/zinc/28/15/03/598281503.db2.gz MQNGXZDIFZYJKN-RUDMXATFSA-N -1 3 357.776 3.335 20 0 FGADHM CN(C(=O)C=Cc1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736732581 598281505 /nfs/dbraw/zinc/28/15/05/598281505.db2.gz MQNGXZDIFZYJKN-RUDMXATFSA-N -1 3 357.776 3.335 20 0 FGADHM CCCNC(=O)Nc1cccc(OCc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000736488356 598282573 /nfs/dbraw/zinc/28/25/73/598282573.db2.gz PQBGVTGAFSOPOU-UHFFFAOYSA-N -1 3 370.388 3.116 20 0 FGADHM CCCNC(=O)Nc1cccc(OCc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000736488356 598282574 /nfs/dbraw/zinc/28/25/74/598282574.db2.gz PQBGVTGAFSOPOU-UHFFFAOYSA-N -1 3 370.388 3.116 20 0 FGADHM CSCCNC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000737180695 598302566 /nfs/dbraw/zinc/30/25/66/598302566.db2.gz FQSGABMDNUTXSH-UHFFFAOYSA-N -1 3 370.438 3.144 20 0 FGADHM CSCCNC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000737180695 598302567 /nfs/dbraw/zinc/30/25/67/598302567.db2.gz FQSGABMDNUTXSH-UHFFFAOYSA-N -1 3 370.438 3.144 20 0 FGADHM O=C(c1ccc(-c2nnn[n-]2)cc1)N(Cc1ccsc1)c1cccnc1 ZINC000738255973 598309610 /nfs/dbraw/zinc/30/96/10/598309610.db2.gz VXWVDRDYXCFPHT-UHFFFAOYSA-N -1 3 362.418 3.170 20 0 FGADHM O=C(c1ccc(-c2nn[n-]n2)cc1)N(Cc1ccsc1)c1cccnc1 ZINC000738255973 598309611 /nfs/dbraw/zinc/30/96/11/598309611.db2.gz VXWVDRDYXCFPHT-UHFFFAOYSA-N -1 3 362.418 3.170 20 0 FGADHM CCN(Cc1nc(-c2ccoc2)no1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736556758 598310537 /nfs/dbraw/zinc/31/05/37/598310537.db2.gz SNPSEPCVDILKDX-GFCCVEGCSA-N -1 3 365.397 3.093 20 0 FGADHM S=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)Nc1cccnc1Cl ZINC000738408050 598318241 /nfs/dbraw/zinc/31/82/41/598318241.db2.gz JQGMJZYVNUJAPM-UHFFFAOYSA-N -1 3 366.237 3.377 20 0 FGADHM S=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)Nc1cccnc1Cl ZINC000738408050 598318243 /nfs/dbraw/zinc/31/82/43/598318243.db2.gz JQGMJZYVNUJAPM-UHFFFAOYSA-N -1 3 366.237 3.377 20 0 FGADHM CC(C)CC(CC(C)C)NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000735760883 598320227 /nfs/dbraw/zinc/32/02/27/598320227.db2.gz JEZANPPTGYJXRP-UHFFFAOYSA-N -1 3 362.453 3.266 20 0 FGADHM CC(C)CC(CC(C)C)NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000735760883 598320229 /nfs/dbraw/zinc/32/02/29/598320229.db2.gz JEZANPPTGYJXRP-UHFFFAOYSA-N -1 3 362.453 3.266 20 0 FGADHM C[C@@H](NC(=S)N[C@@H](C)c1cccs1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736125210 598322033 /nfs/dbraw/zinc/32/20/33/598322033.db2.gz IZTHPDDGPDVNAQ-MNOVXSKESA-N -1 3 358.496 3.215 20 0 FGADHM C[C@@H](NC(=S)N[C@@H](C)c1cccs1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736125210 598322034 /nfs/dbraw/zinc/32/20/34/598322034.db2.gz IZTHPDDGPDVNAQ-MNOVXSKESA-N -1 3 358.496 3.215 20 0 FGADHM CCCCN(CC)C(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000736455910 598325524 /nfs/dbraw/zinc/32/55/24/598325524.db2.gz FCAKEMYBFIBJOK-UHFFFAOYSA-N -1 3 369.425 3.301 20 0 FGADHM CCCCN(CC)C(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000736455910 598325525 /nfs/dbraw/zinc/32/55/25/598325525.db2.gz FCAKEMYBFIBJOK-UHFFFAOYSA-N -1 3 369.425 3.301 20 0 FGADHM Cc1ccc([C@@H](C)N(C)C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000737320732 598328467 /nfs/dbraw/zinc/32/84/67/598328467.db2.gz OPSTYAWDHUCJTN-CYBMUJFWSA-N -1 3 368.416 3.217 20 0 FGADHM Cc1ccc([C@@H](C)N(C)C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000737320732 598328469 /nfs/dbraw/zinc/32/84/69/598328469.db2.gz OPSTYAWDHUCJTN-CYBMUJFWSA-N -1 3 368.416 3.217 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N1Cc2ccccc2C(F)(F)C1 ZINC000822928763 607351480 /nfs/dbraw/zinc/35/14/80/607351480.db2.gz MBRJTVVQDMPJLV-MDZDMXLPSA-N -1 3 367.359 3.014 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N1Cc2ccccc2C(F)(F)C1 ZINC000822928763 607351483 /nfs/dbraw/zinc/35/14/83/607351483.db2.gz MBRJTVVQDMPJLV-MDZDMXLPSA-N -1 3 367.359 3.014 20 0 FGADHM Cc1ccc(NC(=O)c2cccc(-c3nnn[n-]3)c2)cc1OCC(F)F ZINC000737360429 598367387 /nfs/dbraw/zinc/36/73/87/598367387.db2.gz NCLTYFRQRXCGHL-UHFFFAOYSA-N -1 3 359.336 3.071 20 0 FGADHM Cc1ccc(NC(=O)c2cccc(-c3nn[n-]n3)c2)cc1OCC(F)F ZINC000737360429 598367389 /nfs/dbraw/zinc/36/73/89/598367389.db2.gz NCLTYFRQRXCGHL-UHFFFAOYSA-N -1 3 359.336 3.071 20 0 FGADHM CC(C=C1N=C(c2ccc(-c3nnn[n-]3)cc2)OC1=O)=Cc1ccccc1 ZINC000735449030 598378181 /nfs/dbraw/zinc/37/81/81/598378181.db2.gz UQWRMRKRCIARRP-RTNVFWHRSA-N -1 3 357.373 3.158 20 0 FGADHM CC(C=C1N=C(c2ccc(-c3nn[n-]n3)cc2)OC1=O)=Cc1ccccc1 ZINC000735449030 598378182 /nfs/dbraw/zinc/37/81/82/598378182.db2.gz UQWRMRKRCIARRP-RTNVFWHRSA-N -1 3 357.373 3.158 20 0 FGADHM Cc1c(Br)cccc1NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737203062 598380072 /nfs/dbraw/zinc/38/00/72/598380072.db2.gz RXBFTCJUZIUJFN-UHFFFAOYSA-N -1 3 358.199 3.190 20 0 FGADHM Cc1c(Br)cccc1NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737203062 598380074 /nfs/dbraw/zinc/38/00/74/598380074.db2.gz RXBFTCJUZIUJFN-UHFFFAOYSA-N -1 3 358.199 3.190 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cccc2cccnc21 ZINC000736482211 598382775 /nfs/dbraw/zinc/38/27/75/598382775.db2.gz XSBFCURMYJKWSD-UHFFFAOYSA-N -1 3 372.432 3.467 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cccc2cccnc21 ZINC000736482211 598382776 /nfs/dbraw/zinc/38/27/76/598382776.db2.gz XSBFCURMYJKWSD-UHFFFAOYSA-N -1 3 372.432 3.467 20 0 FGADHM CN(Cc1c(F)cccc1Cl)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000736815031 598386059 /nfs/dbraw/zinc/38/60/59/598386059.db2.gz PNRIAQDZJAFNJN-UHFFFAOYSA-N -1 3 353.188 3.344 20 0 FGADHM CN(Cc1c(F)cccc1Cl)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000736815031 598386062 /nfs/dbraw/zinc/38/60/62/598386062.db2.gz PNRIAQDZJAFNJN-UHFFFAOYSA-N -1 3 353.188 3.344 20 0 FGADHM Fc1ccc([C@@H](NCc2ccc(-c3nn[n-]n3)cc2)c2cccnc2)cc1 ZINC000737651597 598387249 /nfs/dbraw/zinc/38/72/49/598387249.db2.gz TUFJHIUTZIUWEX-LJQANCHMSA-N -1 3 360.396 3.280 20 0 FGADHM COc1ccc2oc([C@@H](C)Nc3ncccc3-c3nnn[n-]3)c(C)c2c1 ZINC000737120120 598388199 /nfs/dbraw/zinc/38/81/99/598388199.db2.gz JAZURBGYLAOHNF-LLVKDONJSA-N -1 3 350.382 3.498 20 0 FGADHM COc1ccc2oc([C@@H](C)Nc3ncccc3-c3nn[n-]n3)c(C)c2c1 ZINC000737120120 598388202 /nfs/dbraw/zinc/38/82/02/598388202.db2.gz JAZURBGYLAOHNF-LLVKDONJSA-N -1 3 350.382 3.498 20 0 FGADHM Fc1ccc(C2=CCN(c3ncc(-c4nnn[n-]4)cc3Cl)CC2)cc1 ZINC000737649224 598389229 /nfs/dbraw/zinc/38/92/29/598389229.db2.gz KYEHUDIJMNNRBF-UHFFFAOYSA-N -1 3 356.792 3.348 20 0 FGADHM Fc1ccc(C2=CCN(c3ncc(-c4nn[n-]n4)cc3Cl)CC2)cc1 ZINC000737649224 598389230 /nfs/dbraw/zinc/38/92/30/598389230.db2.gz KYEHUDIJMNNRBF-UHFFFAOYSA-N -1 3 356.792 3.348 20 0 FGADHM Cc1ccc2c(c1)[C@@H](NC(=O)N[C@H](C)c1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000737371843 598391561 /nfs/dbraw/zinc/39/15/61/598391561.db2.gz NKRLUZCNWSUMIZ-ACJLOTCBSA-N -1 3 362.437 3.223 20 0 FGADHM Cc1ccc2c(c1)[C@@H](NC(=O)N[C@H](C)c1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000737371843 598391563 /nfs/dbraw/zinc/39/15/63/598391563.db2.gz NKRLUZCNWSUMIZ-ACJLOTCBSA-N -1 3 362.437 3.223 20 0 FGADHM CN(CC(C)(C)C)c1c(-c2nnn[n-]2)cnc2ccc(OC(F)F)cc21 ZINC000736787630 598393269 /nfs/dbraw/zinc/39/32/69/598393269.db2.gz DELHYJQXMJPCTH-UHFFFAOYSA-N -1 3 362.384 3.499 20 0 FGADHM CN(CC(C)(C)C)c1c(-c2nn[n-]n2)cnc2ccc(OC(F)F)cc21 ZINC000736787630 598393271 /nfs/dbraw/zinc/39/32/71/598393271.db2.gz DELHYJQXMJPCTH-UHFFFAOYSA-N -1 3 362.384 3.499 20 0 FGADHM COCCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@@H](C(C)(C)C)C2 ZINC000736977568 598417495 /nfs/dbraw/zinc/41/74/95/598417495.db2.gz XQOLSKULCJPHGF-SNVBAGLBSA-N -1 3 363.487 3.054 20 0 FGADHM COCCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@@H](C(C)(C)C)C2 ZINC000736977568 598417498 /nfs/dbraw/zinc/41/74/98/598417498.db2.gz XQOLSKULCJPHGF-SNVBAGLBSA-N -1 3 363.487 3.054 20 0 FGADHM C[C@@H](NC(=O)N1CCCc2sccc2C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736112996 598429914 /nfs/dbraw/zinc/42/99/14/598429914.db2.gz LNHZZIURTFBEOJ-GFCCVEGCSA-N -1 3 368.466 3.147 20 0 FGADHM C[C@@H](NC(=O)N1CCCc2sccc2C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736112996 598429916 /nfs/dbraw/zinc/42/99/16/598429916.db2.gz LNHZZIURTFBEOJ-GFCCVEGCSA-N -1 3 368.466 3.147 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CC[C@@H](c2ccccc2F)C1 ZINC000737292168 598431773 /nfs/dbraw/zinc/43/17/73/598431773.db2.gz SPWQFRAYXXAUTL-CQSZACIVSA-N -1 3 366.400 3.336 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CC[C@@H](c2ccccc2F)C1 ZINC000737292168 598431775 /nfs/dbraw/zinc/43/17/75/598431775.db2.gz SPWQFRAYXXAUTL-CQSZACIVSA-N -1 3 366.400 3.336 20 0 FGADHM O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccc(-c2nnn[n-]2)cn1 ZINC000738171112 598435387 /nfs/dbraw/zinc/43/53/87/598435387.db2.gz BJWPPAWZPRSUPO-UHFFFAOYSA-N -1 3 372.388 3.093 20 0 FGADHM O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738171112 598435389 /nfs/dbraw/zinc/43/53/89/598435389.db2.gz BJWPPAWZPRSUPO-UHFFFAOYSA-N -1 3 372.388 3.093 20 0 FGADHM C[C@H](CN(C)C(=S)Nc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000735999573 598440367 /nfs/dbraw/zinc/44/03/67/598440367.db2.gz CYYXGABMBZCKPS-CYBMUJFWSA-N -1 3 352.467 3.299 20 0 FGADHM C[C@H](CN(C)C(=S)Nc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000735999573 598440368 /nfs/dbraw/zinc/44/03/68/598440368.db2.gz CYYXGABMBZCKPS-CYBMUJFWSA-N -1 3 352.467 3.299 20 0 FGADHM CC1(C)CO[C@@H](c2ccccc2)CN1Cc1cc(-c2nn[n-]n2)ccc1F ZINC000736213072 598462664 /nfs/dbraw/zinc/46/26/64/598462664.db2.gz FMQXVWQSRDFBBC-GOSISDBHSA-N -1 3 367.428 3.358 20 0 FGADHM Cc1cc(C(=O)OCc2cccc(-c3nnn[n-]3)c2)cc(C)c1OC(F)F ZINC000737241477 598475099 /nfs/dbraw/zinc/47/50/99/598475099.db2.gz KVKUMHUZSVTLJY-UHFFFAOYSA-N -1 3 374.347 3.442 20 0 FGADHM Cc1cc(C(=O)OCc2cccc(-c3nn[n-]n3)c2)cc(C)c1OC(F)F ZINC000737241477 598475101 /nfs/dbraw/zinc/47/51/01/598475101.db2.gz KVKUMHUZSVTLJY-UHFFFAOYSA-N -1 3 374.347 3.442 20 0 FGADHM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)cn1)c1ccc(Cl)c(Cl)c1 ZINC000736157321 598476357 /nfs/dbraw/zinc/47/63/57/598476357.db2.gz KQLIOBBVGYORKK-MRVPVSSYSA-N -1 3 364.192 3.487 20 0 FGADHM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)cn1)c1ccc(Cl)c(Cl)c1 ZINC000736157321 598476359 /nfs/dbraw/zinc/47/63/59/598476359.db2.gz KQLIOBBVGYORKK-MRVPVSSYSA-N -1 3 364.192 3.487 20 0 FGADHM C[C@@H](OC(=O)Cc1c[nH]c2cc(F)ccc12)c1cccc(-c2nnn[n-]2)c1 ZINC000736155404 598483022 /nfs/dbraw/zinc/48/30/22/598483022.db2.gz MQLPRSZDFNLZFX-LLVKDONJSA-N -1 3 365.368 3.334 20 0 FGADHM C[C@@H](OC(=O)Cc1c[nH]c2cc(F)ccc12)c1cccc(-c2nn[n-]n2)c1 ZINC000736155404 598483024 /nfs/dbraw/zinc/48/30/24/598483024.db2.gz MQLPRSZDFNLZFX-LLVKDONJSA-N -1 3 365.368 3.334 20 0 FGADHM C[C@@H](OC(=O)CCCOc1ccccc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000736148321 598483255 /nfs/dbraw/zinc/48/32/55/598483255.db2.gz GYAHLANCFZZONS-CYBMUJFWSA-N -1 3 370.384 3.469 20 0 FGADHM C[C@@H](OC(=O)CCCOc1ccccc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000736148321 598483257 /nfs/dbraw/zinc/48/32/57/598483257.db2.gz GYAHLANCFZZONS-CYBMUJFWSA-N -1 3 370.384 3.469 20 0 FGADHM CC(C)Oc1cccc(OC(=O)CCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735913379 598485101 /nfs/dbraw/zinc/48/51/01/598485101.db2.gz NKSHUUUULATGOF-UHFFFAOYSA-N -1 3 352.394 3.192 20 0 FGADHM CC(C)Oc1cccc(OC(=O)CCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735913379 598485102 /nfs/dbraw/zinc/48/51/02/598485102.db2.gz NKSHUUUULATGOF-UHFFFAOYSA-N -1 3 352.394 3.192 20 0 FGADHM COc1cc(C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc(OC)c1C ZINC000737044030 598488578 /nfs/dbraw/zinc/48/85/78/598488578.db2.gz ZODQTEORLYPCET-LBPRGKRZSA-N -1 3 368.393 3.110 20 0 FGADHM COc1cc(C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc(OC)c1C ZINC000737044030 598488579 /nfs/dbraw/zinc/48/85/79/598488579.db2.gz ZODQTEORLYPCET-LBPRGKRZSA-N -1 3 368.393 3.110 20 0 FGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)c1cc(F)c(F)c(F)c1 ZINC000735662304 598489268 /nfs/dbraw/zinc/48/92/68/598489268.db2.gz UQDNIUUFHYMYRE-UHFFFAOYSA-N -1 3 364.331 3.093 20 0 FGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)c1cc(F)c(F)c(F)c1 ZINC000735662304 598489269 /nfs/dbraw/zinc/48/92/69/598489269.db2.gz UQDNIUUFHYMYRE-UHFFFAOYSA-N -1 3 364.331 3.093 20 0 FGADHM COc1ccccc1CCC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000737150053 598490034 /nfs/dbraw/zinc/49/00/34/598490034.db2.gz LCDNRCRBLOFTKF-UHFFFAOYSA-N -1 3 368.441 3.003 20 0 FGADHM COc1ccccc1CCC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000737150053 598490036 /nfs/dbraw/zinc/49/00/36/598490036.db2.gz LCDNRCRBLOFTKF-UHFFFAOYSA-N -1 3 368.441 3.003 20 0 FGADHM C[C@H](OC(=O)c1ccc(OC(F)F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000736159049 598491901 /nfs/dbraw/zinc/49/19/01/598491901.db2.gz TVCRTCZNSPZQRD-JTQLQIEISA-N -1 3 360.320 3.386 20 0 FGADHM C[C@H](OC(=O)c1ccc(OC(F)F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000736159049 598491904 /nfs/dbraw/zinc/49/19/04/598491904.db2.gz TVCRTCZNSPZQRD-JTQLQIEISA-N -1 3 360.320 3.386 20 0 FGADHM O=C(CSc1ccnc2ccccc21)Nc1sccc1-c1nnn[n-]1 ZINC000737948547 598504725 /nfs/dbraw/zinc/50/47/25/598504725.db2.gz XPSCAIMFRFLBCI-UHFFFAOYSA-N -1 3 368.447 3.207 20 0 FGADHM O=C(CSc1ccnc2ccccc21)Nc1sccc1-c1nn[n-]n1 ZINC000737948547 598504727 /nfs/dbraw/zinc/50/47/27/598504727.db2.gz XPSCAIMFRFLBCI-UHFFFAOYSA-N -1 3 368.447 3.207 20 0 FGADHM Fc1ccc(-c2noc(CSCc3ccc(-c4nnn[n-]4)cc3)n2)cc1 ZINC000737647282 598512264 /nfs/dbraw/zinc/51/22/64/598512264.db2.gz DOZOFCDSEGBAQV-UHFFFAOYSA-N -1 3 368.397 3.489 20 0 FGADHM Fc1ccc(-c2noc(CSCc3ccc(-c4nn[n-]n4)cc3)n2)cc1 ZINC000737647282 598512266 /nfs/dbraw/zinc/51/22/66/598512266.db2.gz DOZOFCDSEGBAQV-UHFFFAOYSA-N -1 3 368.397 3.489 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(SCC)nc1 ZINC000736634079 598514105 /nfs/dbraw/zinc/51/41/05/598514105.db2.gz GFHYGSOAMCUTKC-UHFFFAOYSA-N -1 3 370.438 3.025 20 0 FGADHM CCC[C@H](Cc1ccccc1)NC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736426484 598527107 /nfs/dbraw/zinc/52/71/07/598527107.db2.gz QAIMXHMDDATKML-MRXNPFEDSA-N -1 3 350.426 3.400 20 0 FGADHM CCC[C@H](Cc1ccccc1)NC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736426484 598527108 /nfs/dbraw/zinc/52/71/08/598527108.db2.gz QAIMXHMDDATKML-MRXNPFEDSA-N -1 3 350.426 3.400 20 0 FGADHM CC[C@H](Cc1ccccc1)NC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736351176 598528266 /nfs/dbraw/zinc/52/82/66/598528266.db2.gz OZSWVYHVXVLATA-GOSISDBHSA-N -1 3 364.453 3.029 20 0 FGADHM CC[C@H](Cc1ccccc1)NC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736351176 598528267 /nfs/dbraw/zinc/52/82/67/598528267.db2.gz OZSWVYHVXVLATA-GOSISDBHSA-N -1 3 364.453 3.029 20 0 FGADHM Cc1cc(Oc2ccc(-c3nnn[n-]3)cc2)ccc1NC(=O)N[C@@H]1C[C@@H]1C ZINC000737278617 598533361 /nfs/dbraw/zinc/53/33/61/598533361.db2.gz BXRGWKSIDFULLB-YVEFUNNKSA-N -1 3 364.409 3.497 20 0 FGADHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1NC(=O)N[C@@H]1C[C@@H]1C ZINC000737278617 598533363 /nfs/dbraw/zinc/53/33/63/598533363.db2.gz BXRGWKSIDFULLB-YVEFUNNKSA-N -1 3 364.409 3.497 20 0 FGADHM Cc1nc(CC(C)C)sc1C(=O)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000737474693 598533504 /nfs/dbraw/zinc/53/35/04/598533504.db2.gz QKFCMHZIALDEMM-UHFFFAOYSA-N -1 3 357.439 3.187 20 0 FGADHM Cc1nc(CC(C)C)sc1C(=O)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000737474693 598533507 /nfs/dbraw/zinc/53/35/07/598533507.db2.gz QKFCMHZIALDEMM-UHFFFAOYSA-N -1 3 357.439 3.187 20 0 FGADHM CCCCCCNC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000736446658 598539231 /nfs/dbraw/zinc/53/92/31/598539231.db2.gz LCBDJZGYZOVPRN-UHFFFAOYSA-N -1 3 369.425 3.349 20 0 FGADHM CC[C@@H](C)[C@@H](C)NC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000736335631 598540210 /nfs/dbraw/zinc/54/02/10/598540210.db2.gz ZDCGJNACVIXHBK-CHWSQXEVSA-N -1 3 369.425 3.203 20 0 FGADHM O=C(Nc1sccc1-c1nnn[n-]1)c1ccc(Br)cc1F ZINC000738206118 598540974 /nfs/dbraw/zinc/54/09/74/598540974.db2.gz CPOGZGWSIQRMEE-UHFFFAOYSA-N -1 3 368.191 3.082 20 0 FGADHM O=C(Nc1sccc1-c1nn[n-]n1)c1ccc(Br)cc1F ZINC000738206118 598540976 /nfs/dbraw/zinc/54/09/76/598540976.db2.gz CPOGZGWSIQRMEE-UHFFFAOYSA-N -1 3 368.191 3.082 20 0 FGADHM Fc1cccc(-c2nc(COc3ccc(-c4nnn[n-]4)c(F)c3)co2)c1 ZINC000737668009 598548319 /nfs/dbraw/zinc/54/83/19/598548319.db2.gz UJFITSOWMWLHSK-UHFFFAOYSA-N -1 3 355.304 3.379 20 0 FGADHM Fc1cccc(-c2nc(COc3ccc(-c4nn[n-]n4)c(F)c3)co2)c1 ZINC000737668009 598548320 /nfs/dbraw/zinc/54/83/20/598548320.db2.gz UJFITSOWMWLHSK-UHFFFAOYSA-N -1 3 355.304 3.379 20 0 FGADHM CC(C)CC[C@@H](C)NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000735798094 598559999 /nfs/dbraw/zinc/55/99/99/598559999.db2.gz UXEGMSFQWUPPCA-SNVBAGLBSA-N -1 3 368.388 3.414 20 0 FGADHM CC(C)CC[C@@H](C)NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000735798094 598560000 /nfs/dbraw/zinc/56/00/00/598560000.db2.gz UXEGMSFQWUPPCA-SNVBAGLBSA-N -1 3 368.388 3.414 20 0 FGADHM c1cn(Cc2cc(-c3ccccc3)on2)nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC000738420460 598568673 /nfs/dbraw/zinc/56/86/73/598568673.db2.gz GRMZMSONVMXIOU-UHFFFAOYSA-N -1 3 369.388 3.434 20 0 FGADHM c1cn(Cc2cc(-c3ccccc3)on2)nc1-c1ccc(-c2nn[n-]n2)cc1 ZINC000738420460 598568674 /nfs/dbraw/zinc/56/86/74/598568674.db2.gz GRMZMSONVMXIOU-UHFFFAOYSA-N -1 3 369.388 3.434 20 0 FGADHM CCc1ccc(NC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736690243 598570144 /nfs/dbraw/zinc/57/01/44/598570144.db2.gz HXDKXFNLZQDCSZ-SFHVURJKSA-N -1 3 362.437 3.037 20 0 FGADHM O=C(Oc1ccc(Cl)cc1)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738252218 598571273 /nfs/dbraw/zinc/57/12/73/598571273.db2.gz WWPUFUDASCFPLF-MRXNPFEDSA-N -1 3 369.812 3.095 20 0 FGADHM Cc1ccc2nc(CNc3ccc(-c4nnn[n-]4)c(C(F)(F)F)c3)cn2c1 ZINC000737374657 598576126 /nfs/dbraw/zinc/57/61/26/598576126.db2.gz QXMULJJFJKWYNI-UHFFFAOYSA-N -1 3 373.342 3.454 20 0 FGADHM Cc1ccc2nc(CNc3ccc(-c4nn[n-]n4)c(C(F)(F)F)c3)cn2c1 ZINC000737374657 598576127 /nfs/dbraw/zinc/57/61/27/598576127.db2.gz QXMULJJFJKWYNI-UHFFFAOYSA-N -1 3 373.342 3.454 20 0 FGADHM CC(=O)c1ccc(NC(=S)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000735495349 598580337 /nfs/dbraw/zinc/58/03/37/598580337.db2.gz GELCBTNNLNMUHN-UHFFFAOYSA-N -1 3 356.386 3.017 20 0 FGADHM CC(=O)c1ccc(NC(=S)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000735495349 598580339 /nfs/dbraw/zinc/58/03/39/598580339.db2.gz GELCBTNNLNMUHN-UHFFFAOYSA-N -1 3 356.386 3.017 20 0 FGADHM C[C@]1(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CCCc2ccccc21 ZINC000736205103 598583504 /nfs/dbraw/zinc/58/35/04/598583504.db2.gz XMUCOLCWPMLFPH-IBGZPJMESA-N -1 3 351.385 3.239 20 0 FGADHM C[C@]1(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)CCCc2ccccc21 ZINC000736205103 598583507 /nfs/dbraw/zinc/58/35/07/598583507.db2.gz XMUCOLCWPMLFPH-IBGZPJMESA-N -1 3 351.385 3.239 20 0 FGADHM Clc1cc(-c2nnn[n-]2)ccc1OCc1noc(Cc2ccccc2)n1 ZINC000737560796 598584977 /nfs/dbraw/zinc/58/49/77/598584977.db2.gz CEXWTZNUZWABCY-UHFFFAOYSA-N -1 3 368.784 3.073 20 0 FGADHM Clc1cc(-c2nn[n-]n2)ccc1OCc1noc(Cc2ccccc2)n1 ZINC000737560796 598584979 /nfs/dbraw/zinc/58/49/79/598584979.db2.gz CEXWTZNUZWABCY-UHFFFAOYSA-N -1 3 368.784 3.073 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1cnc(-c2ccccc2)s1 ZINC000738166027 598587107 /nfs/dbraw/zinc/58/71/07/598587107.db2.gz PZEGWFIMUJVEHS-UHFFFAOYSA-N -1 3 366.381 3.382 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1cnc(-c2ccccc2)s1 ZINC000738166027 598587108 /nfs/dbraw/zinc/58/71/08/598587108.db2.gz PZEGWFIMUJVEHS-UHFFFAOYSA-N -1 3 366.381 3.382 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)C1(c2cccc(F)c2)CCC1 ZINC000738161383 598587763 /nfs/dbraw/zinc/58/77/63/598587763.db2.gz DEUOBJRTIBLVRQ-UHFFFAOYSA-N -1 3 355.348 3.205 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)C1(c2cccc(F)c2)CCC1 ZINC000738161383 598587765 /nfs/dbraw/zinc/58/77/65/598587765.db2.gz DEUOBJRTIBLVRQ-UHFFFAOYSA-N -1 3 355.348 3.205 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)C1(c2ccc(F)cc2)CCC1 ZINC000738162787 598588036 /nfs/dbraw/zinc/58/80/36/598588036.db2.gz MPELKTOZDSPEOV-UHFFFAOYSA-N -1 3 355.348 3.205 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)C1(c2ccc(F)cc2)CCC1 ZINC000738162787 598588038 /nfs/dbraw/zinc/58/80/38/598588038.db2.gz MPELKTOZDSPEOV-UHFFFAOYSA-N -1 3 355.348 3.205 20 0 FGADHM Cc1ccccc1CC(C)(C)NC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000737420366 598594156 /nfs/dbraw/zinc/59/41/56/598594156.db2.gz GQGFVRDKCSQMJN-UHFFFAOYSA-N -1 3 363.465 3.245 20 0 FGADHM Cc1ccccc1CC(C)(C)NC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000737420366 598594163 /nfs/dbraw/zinc/59/41/63/598594163.db2.gz GQGFVRDKCSQMJN-UHFFFAOYSA-N -1 3 363.465 3.245 20 0 FGADHM O=C(NCCCc1cccc(F)c1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000738076580 598600052 /nfs/dbraw/zinc/60/00/52/598600052.db2.gz UISUKGSGTNVKJN-UHFFFAOYSA-N -1 3 374.807 3.414 20 0 FGADHM O=C(NCCCc1cccc(F)c1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000738076580 598600053 /nfs/dbraw/zinc/60/00/53/598600053.db2.gz UISUKGSGTNVKJN-UHFFFAOYSA-N -1 3 374.807 3.414 20 0 FGADHM O=C(N[C@H]1CCCC[C@H]1Cc1ccccc1)c1sccc1-c1nnn[n-]1 ZINC000738026380 598609523 /nfs/dbraw/zinc/60/95/23/598609523.db2.gz QTLKABVKYYDSHW-HOCLYGCPSA-N -1 3 367.478 3.460 20 0 FGADHM O=C(N[C@H]1CCCC[C@H]1Cc1ccccc1)c1sccc1-c1nn[n-]n1 ZINC000738026380 598609526 /nfs/dbraw/zinc/60/95/26/598609526.db2.gz QTLKABVKYYDSHW-HOCLYGCPSA-N -1 3 367.478 3.460 20 0 FGADHM CCN(Cc1ccccc1C)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736555751 598624684 /nfs/dbraw/zinc/62/46/84/598624684.db2.gz LMRKOCWZIRMWSS-UHFFFAOYSA-N -1 3 354.389 3.368 20 0 FGADHM CCN(Cc1ccccc1C)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736555751 598624685 /nfs/dbraw/zinc/62/46/85/598624685.db2.gz LMRKOCWZIRMWSS-UHFFFAOYSA-N -1 3 354.389 3.368 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N[C@H]1CCc2cc(Cl)ccc21 ZINC000738167233 598628908 /nfs/dbraw/zinc/62/89/08/598628908.db2.gz PYGJXKLIZCYKCS-HNNXBMFYSA-N -1 3 372.791 3.468 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N[C@H]1CCc2cc(Cl)ccc21 ZINC000738167233 598628910 /nfs/dbraw/zinc/62/89/10/598628910.db2.gz PYGJXKLIZCYKCS-HNNXBMFYSA-N -1 3 372.791 3.468 20 0 FGADHM COc1ccc(F)cc1[C@@H](C)NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737100231 598629312 /nfs/dbraw/zinc/62/93/12/598629312.db2.gz SXXPVCDAZIQTRQ-SECBINFHSA-N -1 3 374.351 3.036 20 0 FGADHM COc1ccc(F)cc1[C@@H](C)NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737100231 598629313 /nfs/dbraw/zinc/62/93/13/598629313.db2.gz SXXPVCDAZIQTRQ-SECBINFHSA-N -1 3 374.351 3.036 20 0 FGADHM Fc1ccc(N2CCC[C@@H]2c2ccc3c(c2)OCCO3)c(-c2nnn[n-]2)c1 ZINC000737658048 598631325 /nfs/dbraw/zinc/63/13/25/598631325.db2.gz BZKYPNLWXIQXOU-OAHLLOKOSA-N -1 3 367.384 3.119 20 0 FGADHM Fc1ccc(N2CCC[C@@H]2c2ccc3c(c2)OCCO3)c(-c2nn[n-]n2)c1 ZINC000737658048 598631327 /nfs/dbraw/zinc/63/13/27/598631327.db2.gz BZKYPNLWXIQXOU-OAHLLOKOSA-N -1 3 367.384 3.119 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000738167839 598632837 /nfs/dbraw/zinc/63/28/37/598632837.db2.gz WBKDODUPQQCMME-JHJVBQTASA-N -1 3 358.421 3.486 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000738167839 598632839 /nfs/dbraw/zinc/63/28/39/598632839.db2.gz WBKDODUPQQCMME-JHJVBQTASA-N -1 3 358.421 3.486 20 0 FGADHM Cc1cc(C)c(NC(=O)CNc2c(Cl)cccc2-c2nnn[n-]2)c(C)c1 ZINC000737246642 598633849 /nfs/dbraw/zinc/63/38/49/598633849.db2.gz NMTRTOLPNWEOOF-UHFFFAOYSA-N -1 3 370.844 3.496 20 0 FGADHM Cc1cc(C)c(NC(=O)CNc2c(Cl)cccc2-c2nn[n-]n2)c(C)c1 ZINC000737246642 598633850 /nfs/dbraw/zinc/63/38/50/598633850.db2.gz NMTRTOLPNWEOOF-UHFFFAOYSA-N -1 3 370.844 3.496 20 0 FGADHM CCCN(CCC)C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000736474288 598647726 /nfs/dbraw/zinc/64/77/26/598647726.db2.gz ZQGOOBGSKOGMDX-UHFFFAOYSA-N -1 3 366.425 3.316 20 0 FGADHM CCCN(CCC)C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000736474288 598647727 /nfs/dbraw/zinc/64/77/27/598647727.db2.gz ZQGOOBGSKOGMDX-UHFFFAOYSA-N -1 3 366.425 3.316 20 0 FGADHM CC(C)N(C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1)C1CC1 ZINC000735857815 598649193 /nfs/dbraw/zinc/64/91/93/598649193.db2.gz ZYSAPRTYJQXENQ-UHFFFAOYSA-N -1 3 364.409 3.067 20 0 FGADHM CC(C)N(C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1)C1CC1 ZINC000735857815 598649195 /nfs/dbraw/zinc/64/91/95/598649195.db2.gz ZYSAPRTYJQXENQ-UHFFFAOYSA-N -1 3 364.409 3.067 20 0 FGADHM C[C@H]1CCCC[C@@H]1N(C)C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736272489 598649652 /nfs/dbraw/zinc/64/96/52/598649652.db2.gz PSFZQTCMEKUEDD-YJBOKZPZSA-N -1 3 371.485 3.453 20 0 FGADHM C[C@H]1CCCC[C@@H]1N(C)C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736272489 598649654 /nfs/dbraw/zinc/64/96/54/598649654.db2.gz PSFZQTCMEKUEDD-YJBOKZPZSA-N -1 3 371.485 3.453 20 0 FGADHM O=C(Cc1cccnc1)N(Cc1ccccc1)c1ccccc1-c1nnn[n-]1 ZINC000737975385 598652203 /nfs/dbraw/zinc/65/22/03/598652203.db2.gz ZZRCWNRKKAHAKH-UHFFFAOYSA-N -1 3 370.416 3.038 20 0 FGADHM O=C(Cc1cccnc1)N(Cc1ccccc1)c1ccccc1-c1nn[n-]n1 ZINC000737975385 598652205 /nfs/dbraw/zinc/65/22/05/598652205.db2.gz ZZRCWNRKKAHAKH-UHFFFAOYSA-N -1 3 370.416 3.038 20 0 FGADHM COc1ccc(CCCCCC(=O)Nc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000737089672 598658881 /nfs/dbraw/zinc/65/88/81/598658881.db2.gz UCXXVAHMOKNMSK-UHFFFAOYSA-N -1 3 366.425 3.012 20 0 FGADHM COc1ccc(CCCCCC(=O)Nc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000737089672 598658882 /nfs/dbraw/zinc/65/88/82/598658882.db2.gz UCXXVAHMOKNMSK-UHFFFAOYSA-N -1 3 366.425 3.012 20 0 FGADHM CC(C)(NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000735671877 598660959 /nfs/dbraw/zinc/66/09/59/598660959.db2.gz PKABSCSETRIZOT-GHXNOFRVSA-N -1 3 351.385 3.071 20 0 FGADHM CC(C)(NC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000735671877 598660960 /nfs/dbraw/zinc/66/09/60/598660960.db2.gz PKABSCSETRIZOT-GHXNOFRVSA-N -1 3 351.385 3.071 20 0 FGADHM COc1ccc(CNc2ncccc2-c2nnn[n-]2)cc1OC1CCCC1 ZINC000737095546 598674626 /nfs/dbraw/zinc/67/46/26/598674626.db2.gz JQACSPPQPVHAOD-UHFFFAOYSA-N -1 3 366.425 3.204 20 0 FGADHM COc1ccc(CNc2ncccc2-c2nn[n-]n2)cc1OC1CCCC1 ZINC000737095546 598674628 /nfs/dbraw/zinc/67/46/28/598674628.db2.gz JQACSPPQPVHAOD-UHFFFAOYSA-N -1 3 366.425 3.204 20 0 FGADHM CCn1c(CN(C)Cc2cccc(-c3nn[n-]n3)c2)nc2c1cccc2F ZINC000736720848 598679886 /nfs/dbraw/zinc/67/98/86/598679886.db2.gz XUWYDRVQJZTCCR-UHFFFAOYSA-N -1 3 365.416 3.007 20 0 FGADHM Fc1ccc(CSCCCOCC(F)(F)F)c(-c2nnn[n-]2)c1 ZINC000737647280 598696844 /nfs/dbraw/zinc/69/68/44/598696844.db2.gz AVTIFZAKVKKDQK-UHFFFAOYSA-N -1 3 350.341 3.208 20 0 FGADHM Fc1ccc(CSCCCOCC(F)(F)F)c(-c2nn[n-]n2)c1 ZINC000737647280 598696845 /nfs/dbraw/zinc/69/68/45/598696845.db2.gz AVTIFZAKVKKDQK-UHFFFAOYSA-N -1 3 350.341 3.208 20 0 FGADHM CCOc1ccccc1COC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736654469 598715243 /nfs/dbraw/zinc/71/52/43/598715243.db2.gz UVJBGVFGBXIPGP-UHFFFAOYSA-N -1 3 370.434 3.101 20 0 FGADHM CCOc1ccccc1COC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736654469 598715245 /nfs/dbraw/zinc/71/52/45/598715245.db2.gz UVJBGVFGBXIPGP-UHFFFAOYSA-N -1 3 370.434 3.101 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N(CC)C1CCCCC1 ZINC000736636564 598729571 /nfs/dbraw/zinc/72/95/71/598729571.db2.gz MIRZLIAHEYQCIS-UHFFFAOYSA-N -1 3 358.446 3.452 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N(CC)C1CCCCC1 ZINC000736636564 598729572 /nfs/dbraw/zinc/72/95/72/598729572.db2.gz MIRZLIAHEYQCIS-UHFFFAOYSA-N -1 3 358.446 3.452 20 0 FGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)N1CCCC2(CCCCC2)C1 ZINC000738101224 598731200 /nfs/dbraw/zinc/73/12/00/598731200.db2.gz HVJIHSLPGRJZRH-UHFFFAOYSA-N -1 3 354.458 3.123 20 0 FGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)N1CCCC2(CCCCC2)C1 ZINC000738101224 598731202 /nfs/dbraw/zinc/73/12/02/598731202.db2.gz HVJIHSLPGRJZRH-UHFFFAOYSA-N -1 3 354.458 3.123 20 0 FGADHM Cc1ccccc1[C@H](NC(=O)CNc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000737421307 598754797 /nfs/dbraw/zinc/75/47/97/598754797.db2.gz LCDUOQJBROXLFY-LJQANCHMSA-N -1 3 364.453 3.101 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1N1CCO[C@@H](c2ccccc2Cl)C1 ZINC000737641727 598756077 /nfs/dbraw/zinc/75/60/77/598756077.db2.gz XHZLCNAGPCWRMW-MRXNPFEDSA-N -1 3 359.792 3.237 20 0 FGADHM Cc1csc(CCNc2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)n1 ZINC000737453460 598770856 /nfs/dbraw/zinc/77/08/56/598770856.db2.gz VEKINJHVLHEJSE-UHFFFAOYSA-N -1 3 373.392 3.113 20 0 FGADHM Cc1csc(CCNc2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)n1 ZINC000737453460 598770857 /nfs/dbraw/zinc/77/08/57/598770857.db2.gz VEKINJHVLHEJSE-UHFFFAOYSA-N -1 3 373.392 3.113 20 0 FGADHM Cc1ccccc1[C@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000737419161 598778631 /nfs/dbraw/zinc/77/86/31/598778631.db2.gz DCMOPZHKSFFMRC-GOSISDBHSA-N -1 3 362.437 3.126 20 0 FGADHM Cc1ccccc1[C@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000737419161 598778633 /nfs/dbraw/zinc/77/86/33/598778633.db2.gz DCMOPZHKSFFMRC-GOSISDBHSA-N -1 3 362.437 3.126 20 0 FGADHM Cc1ccccc1CCC(=O)OCCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000737428514 598780812 /nfs/dbraw/zinc/78/08/12/598780812.db2.gz YWISQLAZPIKHEA-UHFFFAOYSA-N -1 3 366.421 3.120 20 0 FGADHM CCN(C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1)C(C)C ZINC000736505044 598781730 /nfs/dbraw/zinc/78/17/30/598781730.db2.gz GFMRRYORCJKLRA-UHFFFAOYSA-N -1 3 367.413 3.316 20 0 FGADHM CCN(C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1)C(C)C ZINC000736505044 598781731 /nfs/dbraw/zinc/78/17/31/598781731.db2.gz GFMRRYORCJKLRA-UHFFFAOYSA-N -1 3 367.413 3.316 20 0 FGADHM CC1(C)CCCN(C(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000736211579 598789461 /nfs/dbraw/zinc/78/94/61/598789461.db2.gz PFFWMXAJUURDKW-UHFFFAOYSA-N -1 3 350.879 3.339 20 0 FGADHM CC1(C)CCCN(C(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000736211579 598789463 /nfs/dbraw/zinc/78/94/63/598789463.db2.gz PFFWMXAJUURDKW-UHFFFAOYSA-N -1 3 350.879 3.339 20 0 FGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)CO[C@H]1CCC[C@H](C)C1 ZINC000736264743 598791483 /nfs/dbraw/zinc/79/14/83/598791483.db2.gz XSSAOAGSKDILEG-ZFWWWQNUSA-N -1 3 373.457 3.188 20 0 FGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)CO[C@H]1CCC[C@H](C)C1 ZINC000736264743 598791484 /nfs/dbraw/zinc/79/14/84/598791484.db2.gz XSSAOAGSKDILEG-ZFWWWQNUSA-N -1 3 373.457 3.188 20 0 FGADHM CC(C)CN(C(=O)CCCc1ccccn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000735817567 598803706 /nfs/dbraw/zinc/80/37/06/598803706.db2.gz CCEZZPAJSBFXSR-UHFFFAOYSA-N -1 3 364.453 3.274 20 0 FGADHM CC(C)CN(C(=O)CCCc1ccccn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000735817567 598803707 /nfs/dbraw/zinc/80/37/07/598803707.db2.gz CCEZZPAJSBFXSR-UHFFFAOYSA-N -1 3 364.453 3.274 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc(-n2cccc2)c(F)c1 ZINC000737295453 598820637 /nfs/dbraw/zinc/82/06/37/598820637.db2.gz XLUOEEMPXBMOHT-UHFFFAOYSA-N -1 3 362.368 3.357 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(-n2cccc2)c(F)c1 ZINC000737295453 598820639 /nfs/dbraw/zinc/82/06/39/598820639.db2.gz XLUOEEMPXBMOHT-UHFFFAOYSA-N -1 3 362.368 3.357 20 0 FGADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCC2)c1coc2ccccc12 ZINC000738212032 598822378 /nfs/dbraw/zinc/82/23/78/598822378.db2.gz VPMUNHDMAIBCSE-UHFFFAOYSA-N -1 3 351.391 3.415 20 0 FGADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCC2)c1coc2ccccc12 ZINC000738212032 598822379 /nfs/dbraw/zinc/82/23/79/598822379.db2.gz VPMUNHDMAIBCSE-UHFFFAOYSA-N -1 3 351.391 3.415 20 0 FGADHM Cc1sc(NC(=O)[C@@H]2CSc3ccccc32)c(-c2nnn[n-]2)c1C ZINC000737559859 599293293 /nfs/dbraw/zinc/29/32/93/599293293.db2.gz BGFCPBONUDBTGC-LLVKDONJSA-N -1 3 357.464 3.373 20 0 FGADHM Cc1sc(NC(=O)[C@@H]2CSc3ccccc32)c(-c2nn[n-]n2)c1C ZINC000737559859 599293295 /nfs/dbraw/zinc/29/32/95/599293295.db2.gz BGFCPBONUDBTGC-LLVKDONJSA-N -1 3 357.464 3.373 20 0 FGADHM CCN(C(=O)CCc1ccc(OC)c(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736504145 599308754 /nfs/dbraw/zinc/30/87/54/599308754.db2.gz AFBDLBOBQMDXFT-UHFFFAOYSA-N -1 3 369.400 3.000 20 0 FGADHM CCN(C(=O)CCc1ccc(OC)c(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736504145 599308757 /nfs/dbraw/zinc/30/87/57/599308757.db2.gz AFBDLBOBQMDXFT-UHFFFAOYSA-N -1 3 369.400 3.000 20 0 FGADHM CC(=O)Nc1cccc2c1CCCN2[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000735488204 599310870 /nfs/dbraw/zinc/31/08/70/599310870.db2.gz GDLWTIDUISYONQ-CYBMUJFWSA-N -1 3 362.437 3.339 20 0 FGADHM CC(=O)Nc1cccc2c1CCCN2[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000735488204 599310873 /nfs/dbraw/zinc/31/08/73/599310873.db2.gz GDLWTIDUISYONQ-CYBMUJFWSA-N -1 3 362.437 3.339 20 0 FGADHM CC(=O)Nc1nc(CS[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000735489226 599327534 /nfs/dbraw/zinc/32/75/34/599327534.db2.gz XJOKMHWKRFPZLH-SECBINFHSA-N -1 3 360.468 3.276 20 0 FGADHM CC(=O)Nc1nc(CS[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000735489226 599327536 /nfs/dbraw/zinc/32/75/36/599327536.db2.gz XJOKMHWKRFPZLH-SECBINFHSA-N -1 3 360.468 3.276 20 0 FGADHM C[C@H](SCC(=O)NCc1ccccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000736187783 599328123 /nfs/dbraw/zinc/32/81/23/599328123.db2.gz BVLGSODKOGUDMY-LBPRGKRZSA-N -1 3 371.441 3.116 20 0 FGADHM C[C@H](SCC(=O)NCc1ccccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000736187783 599328126 /nfs/dbraw/zinc/32/81/26/599328126.db2.gz BVLGSODKOGUDMY-LBPRGKRZSA-N -1 3 371.441 3.116 20 0 FGADHM COc1ccc(NC(=O)CS[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737100932 599329641 /nfs/dbraw/zinc/32/96/41/599329641.db2.gz ACWOSWACWIORKO-GFCCVEGCSA-N -1 3 369.450 3.308 20 0 FGADHM COc1ccc(NC(=O)CS[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737100932 599329644 /nfs/dbraw/zinc/32/96/44/599329644.db2.gz ACWOSWACWIORKO-GFCCVEGCSA-N -1 3 369.450 3.308 20 0 FGADHM C[C@@H](S[C@H](C)c1ccc(-c2nnn[n-]2)cc1)C(=O)NC1CCCCC1 ZINC000736188564 599330532 /nfs/dbraw/zinc/33/05/32/599330532.db2.gz LDDOLUSJGMUEHR-CHWSQXEVSA-N -1 3 359.499 3.498 20 0 FGADHM C[C@@H](S[C@H](C)c1ccc(-c2nn[n-]n2)cc1)C(=O)NC1CCCCC1 ZINC000736188564 599330534 /nfs/dbraw/zinc/33/05/34/599330534.db2.gz LDDOLUSJGMUEHR-CHWSQXEVSA-N -1 3 359.499 3.498 20 0 FGADHM C[C@@H](S[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCC(C)CC1 ZINC000736278255 599331582 /nfs/dbraw/zinc/33/15/82/599331582.db2.gz QMQCWIDWDRVHBG-UONOGXRCSA-N -1 3 359.499 3.308 20 0 FGADHM C[C@@H](S[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCC(C)CC1 ZINC000736278255 599331585 /nfs/dbraw/zinc/33/15/85/599331585.db2.gz QMQCWIDWDRVHBG-UONOGXRCSA-N -1 3 359.499 3.308 20 0 FGADHM C[C@H](Sc1ccccc1-c1nnn[n-]1)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000820555822 599344388 /nfs/dbraw/zinc/34/43/88/599344388.db2.gz PXDIYNRHEXGVNS-UKTARXLSSA-N -1 3 359.499 3.288 20 0 FGADHM C[C@H](Sc1ccccc1-c1nn[n-]n1)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000820555822 599344390 /nfs/dbraw/zinc/34/43/90/599344390.db2.gz PXDIYNRHEXGVNS-UKTARXLSSA-N -1 3 359.499 3.288 20 0 FGADHM Fc1ccc(Cl)c2c1ncc(-c1nnn[n-]1)c2NCCCC(F)(F)F ZINC000822775650 599359042 /nfs/dbraw/zinc/35/90/42/599359042.db2.gz YYDTYHXQTKHUCW-UHFFFAOYSA-N -1 3 374.729 3.384 20 0 FGADHM Fc1ccc(Cl)c2c1ncc(-c1nn[n-]n1)c2NCCCC(F)(F)F ZINC000822775650 599359043 /nfs/dbraw/zinc/35/90/43/599359043.db2.gz YYDTYHXQTKHUCW-UHFFFAOYSA-N -1 3 374.729 3.384 20 0 FGADHM CCCC[C@H](COC)NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736439625 599369705 /nfs/dbraw/zinc/36/97/05/599369705.db2.gz XVWUBXWLSBYPAH-LLVKDONJSA-N -1 3 368.894 3.012 20 0 FGADHM CCCC[C@H](COC)NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736439625 599369706 /nfs/dbraw/zinc/36/97/06/599369706.db2.gz XVWUBXWLSBYPAH-LLVKDONJSA-N -1 3 368.894 3.012 20 0 FGADHM CSCCCNC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737182772 599377175 /nfs/dbraw/zinc/37/71/75/599377175.db2.gz TUAUITDCABWSGJ-UHFFFAOYSA-N -1 3 369.450 3.142 20 0 FGADHM CSCCCNC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737182772 599377178 /nfs/dbraw/zinc/37/71/78/599377178.db2.gz TUAUITDCABWSGJ-UHFFFAOYSA-N -1 3 369.450 3.142 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)ccc1OCCOc1ccc(SC)cc1 ZINC000821394448 599381593 /nfs/dbraw/zinc/38/15/93/599381593.db2.gz KBODBYVYJIIZJM-UHFFFAOYSA-N -1 3 372.450 3.445 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)ccc1OCCOc1ccc(SC)cc1 ZINC000821394448 599381596 /nfs/dbraw/zinc/38/15/96/599381596.db2.gz KBODBYVYJIIZJM-UHFFFAOYSA-N -1 3 372.450 3.445 20 0 FGADHM Cc1ccc(OCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)c(Cl)c1 ZINC000822263687 599387063 /nfs/dbraw/zinc/38/70/63/599387063.db2.gz WRWVXDROIIWOII-UHFFFAOYSA-N -1 3 368.784 3.458 20 0 FGADHM Cc1ccc(OCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)c(Cl)c1 ZINC000822263687 599387066 /nfs/dbraw/zinc/38/70/66/599387066.db2.gz WRWVXDROIIWOII-UHFFFAOYSA-N -1 3 368.784 3.458 20 0 FGADHM Cc1ccc(OCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)c(Cl)c1 ZINC000822263347 599387163 /nfs/dbraw/zinc/38/71/63/599387163.db2.gz NSIPDINUWNFSQD-UHFFFAOYSA-N -1 3 368.784 3.458 20 0 FGADHM Cc1ccc(OCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)c(Cl)c1 ZINC000822263347 599387164 /nfs/dbraw/zinc/38/71/64/599387164.db2.gz NSIPDINUWNFSQD-UHFFFAOYSA-N -1 3 368.784 3.458 20 0 FGADHM C[C@H](NC(=O)NCc1cccc(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820373889 599399222 /nfs/dbraw/zinc/39/92/22/599399222.db2.gz KUXRVVYJSOZSHS-NSHDSACASA-N -1 3 356.817 3.081 20 0 FGADHM C[C@H](NC(=O)NCc1cccc(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820373889 599399224 /nfs/dbraw/zinc/39/92/24/599399224.db2.gz KUXRVVYJSOZSHS-NSHDSACASA-N -1 3 356.817 3.081 20 0 FGADHM CCC[C@H](NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F)c1ccccc1 ZINC000821020545 599404902 /nfs/dbraw/zinc/40/49/02/599404902.db2.gz DNUBAGDMGHWYOB-KRWDZBQOSA-N -1 3 368.416 3.346 20 0 FGADHM CCC[C@H](NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F)c1ccccc1 ZINC000821020545 599404904 /nfs/dbraw/zinc/40/49/04/599404904.db2.gz DNUBAGDMGHWYOB-KRWDZBQOSA-N -1 3 368.416 3.346 20 0 FGADHM CCCNC(=O)c1cccc(CNc2cc(Cl)ccc2-c2nnn[n-]2)c1 ZINC000736487161 599411254 /nfs/dbraw/zinc/41/12/54/599411254.db2.gz DQCATNVFWSDLHW-UHFFFAOYSA-N -1 3 370.844 3.272 20 0 FGADHM CCCNC(=O)c1cccc(CNc2cc(Cl)ccc2-c2nn[n-]n2)c1 ZINC000736487161 599411257 /nfs/dbraw/zinc/41/12/57/599411257.db2.gz DQCATNVFWSDLHW-UHFFFAOYSA-N -1 3 370.844 3.272 20 0 FGADHM C[C@H](NC(=O)NCCc1ccccc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000820364410 599424177 /nfs/dbraw/zinc/42/41/77/599424177.db2.gz ABFWSCDKGPRDPQ-LBPRGKRZSA-N -1 3 370.844 3.123 20 0 FGADHM C[C@H](NC(=O)NCCc1ccccc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000820364410 599424180 /nfs/dbraw/zinc/42/41/80/599424180.db2.gz ABFWSCDKGPRDPQ-LBPRGKRZSA-N -1 3 370.844 3.123 20 0 FGADHM Cc1cc(C)c(CNC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c(C)c1 ZINC000822194096 599426219 /nfs/dbraw/zinc/42/62/19/599426219.db2.gz IJFHDPNHSWJTSW-OAHLLOKOSA-N -1 3 364.453 3.352 20 0 FGADHM Cc1cc(C)c(CNC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c(C)c1 ZINC000822194096 599426222 /nfs/dbraw/zinc/42/62/22/599426222.db2.gz IJFHDPNHSWJTSW-OAHLLOKOSA-N -1 3 364.453 3.352 20 0 FGADHM Clc1ccc(-c2nnn[n-]2)c(N2CCCO[C@H](c3ccccc3)C2)c1 ZINC000737571104 599430473 /nfs/dbraw/zinc/43/04/73/599430473.db2.gz RTLXVWSVFLEPST-KRWDZBQOSA-N -1 3 355.829 3.488 20 0 FGADHM Clc1ccc(-c2nn[n-]n2)c(N2CCCO[C@H](c3ccccc3)C2)c1 ZINC000737571104 599430475 /nfs/dbraw/zinc/43/04/75/599430475.db2.gz RTLXVWSVFLEPST-KRWDZBQOSA-N -1 3 355.829 3.488 20 0 FGADHM C[C@H](NC(=O)NCC(C)(C)c1cccs1)c1cccc(-c2nnn[n-]2)c1 ZINC000820356703 599441281 /nfs/dbraw/zinc/44/12/81/599441281.db2.gz AUNPNWNEXPCDAT-LBPRGKRZSA-N -1 3 370.482 3.266 20 0 FGADHM C[C@H](NC(=O)NCC(C)(C)c1cccs1)c1cccc(-c2nn[n-]n2)c1 ZINC000820356703 599441284 /nfs/dbraw/zinc/44/12/84/599441284.db2.gz AUNPNWNEXPCDAT-LBPRGKRZSA-N -1 3 370.482 3.266 20 0 FGADHM C[C@H](NC(=O)NCC[C@H]1CCC[C@@H](C)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820697829 599442000 /nfs/dbraw/zinc/44/20/00/599442000.db2.gz MUPTVSNGQMNMKK-QLFBSQMISA-N -1 3 356.474 3.443 20 0 FGADHM C[C@H](NC(=O)NCC[C@H]1CCC[C@@H](C)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820697829 599442001 /nfs/dbraw/zinc/44/20/01/599442001.db2.gz MUPTVSNGQMNMKK-QLFBSQMISA-N -1 3 356.474 3.443 20 0 FGADHM C[C@H](NC(=O)NCc1coc2ccccc12)c1cccc(-c2nnn[n-]2)c1 ZINC000820374511 599442037 /nfs/dbraw/zinc/44/20/37/599442037.db2.gz ONQSVHVIELNYDR-LBPRGKRZSA-N -1 3 362.393 3.173 20 0 FGADHM C[C@H](NC(=O)NCc1coc2ccccc12)c1cccc(-c2nn[n-]n2)c1 ZINC000820374511 599442038 /nfs/dbraw/zinc/44/20/38/599442038.db2.gz ONQSVHVIELNYDR-LBPRGKRZSA-N -1 3 362.393 3.173 20 0 FGADHM CSCC[C@H](C)N(C)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000737178183 599454030 /nfs/dbraw/zinc/45/40/30/599454030.db2.gz YAQHFKFQYSBKRJ-NSHDSACASA-N -1 3 365.507 3.029 20 0 FGADHM CSCC[C@H](C)N(C)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000737178183 599454031 /nfs/dbraw/zinc/45/40/31/599454031.db2.gz YAQHFKFQYSBKRJ-NSHDSACASA-N -1 3 365.507 3.029 20 0 FGADHM CCOC(=O)N[C@H](CNc1c(Cl)cccc1-c1nnn[n-]1)CC(C)C ZINC000821334243 599471925 /nfs/dbraw/zinc/47/19/25/599471925.db2.gz JUMSLZSSZZDUPK-NSHDSACASA-N -1 3 366.853 3.093 20 0 FGADHM CCOC(=O)N[C@H](CNc1c(Cl)cccc1-c1nn[n-]n1)CC(C)C ZINC000821334243 599471926 /nfs/dbraw/zinc/47/19/26/599471926.db2.gz JUMSLZSSZZDUPK-NSHDSACASA-N -1 3 366.853 3.093 20 0 FGADHM Cc1ccc(CN(C)C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822236082 599472556 /nfs/dbraw/zinc/47/25/56/599472556.db2.gz JJKDOGAYDXYPAZ-AWEZNQCLSA-N -1 3 350.426 3.078 20 0 FGADHM Cc1ccc(CN(C)C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822236082 599472559 /nfs/dbraw/zinc/47/25/59/599472559.db2.gz JJKDOGAYDXYPAZ-AWEZNQCLSA-N -1 3 350.426 3.078 20 0 FGADHM Cc1ccc(CNc2c(-c3nnn[n-]3)cnc3c(F)ccc(F)c32)c(C)c1 ZINC000822238785 599482856 /nfs/dbraw/zinc/48/28/56/599482856.db2.gz USVTXXFZTADNEP-UHFFFAOYSA-N -1 3 366.375 3.344 20 0 FGADHM Cc1ccc(CNc2c(-c3nn[n-]n3)cnc3c(F)ccc(F)c32)c(C)c1 ZINC000822238785 599482857 /nfs/dbraw/zinc/48/28/57/599482857.db2.gz USVTXXFZTADNEP-UHFFFAOYSA-N -1 3 366.375 3.344 20 0 FGADHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(N(C)C[C@@H]3CCCCO3)c2c1 ZINC000822195373 599491013 /nfs/dbraw/zinc/49/10/13/599491013.db2.gz PYYVHNQUJXEVDK-AWEZNQCLSA-N -1 3 352.442 3.037 20 0 FGADHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(N(C)C[C@@H]3CCCCO3)c2c1 ZINC000822195373 599491015 /nfs/dbraw/zinc/49/10/15/599491015.db2.gz PYYVHNQUJXEVDK-AWEZNQCLSA-N -1 3 352.442 3.037 20 0 FGADHM Cc1cc(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c(C)n1C(C)C ZINC000822169046 599505381 /nfs/dbraw/zinc/50/53/81/599505381.db2.gz XKTFEUIBRYBLHT-ZDUSSCGKSA-N -1 3 352.442 3.357 20 0 FGADHM Cc1cc(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c(C)n1C(C)C ZINC000822169046 599505384 /nfs/dbraw/zinc/50/53/84/599505384.db2.gz XKTFEUIBRYBLHT-ZDUSSCGKSA-N -1 3 352.442 3.357 20 0 FGADHM C[C@H](NC(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000820321013 599506362 /nfs/dbraw/zinc/50/63/62/599506362.db2.gz ATKZZYWFOBQNEJ-JJMVLAAESA-N -1 3 369.375 3.126 20 0 FGADHM C[C@H](NC(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000820321013 599506365 /nfs/dbraw/zinc/50/63/65/599506365.db2.gz ATKZZYWFOBQNEJ-JJMVLAAESA-N -1 3 369.375 3.126 20 0 FGADHM CCOc1ccccc1CCC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821431247 599517846 /nfs/dbraw/zinc/51/78/46/599517846.db2.gz NMMZIHHZHKSKIP-AWEZNQCLSA-N -1 3 365.437 3.075 20 0 FGADHM CCOc1ccccc1CCC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821431247 599517848 /nfs/dbraw/zinc/51/78/48/599517848.db2.gz NMMZIHHZHKSKIP-AWEZNQCLSA-N -1 3 365.437 3.075 20 0 FGADHM CCOC(=O)c1ccc(-c2nnn[n-]2)c(SCc2c(C)cccc2C)n1 ZINC000736602234 599520221 /nfs/dbraw/zinc/52/02/21/599520221.db2.gz FTRXXZUDZCLAAM-UHFFFAOYSA-N -1 3 369.450 3.348 20 0 FGADHM CCOC(=O)c1ccc(-c2nn[n-]n2)c(SCc2c(C)cccc2C)n1 ZINC000736602234 599520223 /nfs/dbraw/zinc/52/02/23/599520223.db2.gz FTRXXZUDZCLAAM-UHFFFAOYSA-N -1 3 369.450 3.348 20 0 FGADHM C[C@@H](NC(=O)CCOc1cccc(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820329493 599521081 /nfs/dbraw/zinc/52/10/81/599521081.db2.gz WPDXVMYESKLVJL-GFCCVEGCSA-N -1 3 371.828 3.166 20 0 FGADHM C[C@@H](NC(=O)CCOc1cccc(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820329493 599521083 /nfs/dbraw/zinc/52/10/83/599521083.db2.gz WPDXVMYESKLVJL-GFCCVEGCSA-N -1 3 371.828 3.166 20 0 FGADHM CC(=CC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC000819763712 599525458 /nfs/dbraw/zinc/52/54/58/599525458.db2.gz AZQGMEPAAIESFC-KXXVWKPMSA-N -1 3 351.385 3.287 20 0 FGADHM CC(=CC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC000819763712 599525461 /nfs/dbraw/zinc/52/54/61/599525461.db2.gz AZQGMEPAAIESFC-KXXVWKPMSA-N -1 3 351.385 3.287 20 0 FGADHM C[C@@H](CSc1ccccc1)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820295174 599530747 /nfs/dbraw/zinc/53/07/47/599530747.db2.gz ZVVRAWPLTDRIIM-KBPBESRZSA-N -1 3 367.478 3.472 20 0 FGADHM C[C@@H](CSc1ccccc1)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820295174 599530749 /nfs/dbraw/zinc/53/07/49/599530749.db2.gz ZVVRAWPLTDRIIM-KBPBESRZSA-N -1 3 367.478 3.472 20 0 FGADHM Cc1ccc(C[C@@H](C)NC(=S)Nc2ccccc2-c2nnn[n-]2)s1 ZINC000737334848 599537269 /nfs/dbraw/zinc/53/72/69/599537269.db2.gz MZKBFXKXRKCSDW-SNVBAGLBSA-N -1 3 358.496 3.154 20 0 FGADHM Cc1ccc(C[C@@H](C)NC(=S)Nc2ccccc2-c2nn[n-]n2)s1 ZINC000737334848 599537271 /nfs/dbraw/zinc/53/72/71/599537271.db2.gz MZKBFXKXRKCSDW-SNVBAGLBSA-N -1 3 358.496 3.154 20 0 FGADHM Cc1cc(C)n([C@@H]2CCCN(c3c(-c4nnn[n-]4)cnc4ccccc43)C2)n1 ZINC000822197830 599538992 /nfs/dbraw/zinc/53/89/92/599538992.db2.gz QQBXMLVKFOUUTD-OAHLLOKOSA-N -1 3 374.452 3.070 20 0 FGADHM Cc1cc(C)n([C@@H]2CCCN(c3c(-c4nn[n-]n4)cnc4ccccc43)C2)n1 ZINC000822197830 599538994 /nfs/dbraw/zinc/53/89/94/599538994.db2.gz QQBXMLVKFOUUTD-OAHLLOKOSA-N -1 3 374.452 3.070 20 0 FGADHM C[C@@H]1CCN(C(=O)CCc2ccc(-c3nnn[n-]3)cc2)[C@H](c2ccco2)C1 ZINC000820716905 599548072 /nfs/dbraw/zinc/54/80/72/599548072.db2.gz MKWVZCQQJCONEJ-PBHICJAKSA-N -1 3 365.437 3.392 20 0 FGADHM C[C@@H]1CCN(C(=O)CCc2ccc(-c3nn[n-]n3)cc2)[C@H](c2ccco2)C1 ZINC000820716905 599548074 /nfs/dbraw/zinc/54/80/74/599548074.db2.gz MKWVZCQQJCONEJ-PBHICJAKSA-N -1 3 365.437 3.392 20 0 FGADHM Fc1ccc(F)c2c1ncc(-c1nnn[n-]1)c2N1CC[C@H](c2ccco2)C1 ZINC000822775510 599548152 /nfs/dbraw/zinc/54/81/52/599548152.db2.gz XOONCFHHVIONRR-JTQLQIEISA-N -1 3 368.347 3.280 20 0 FGADHM Fc1ccc(F)c2c1ncc(-c1nn[n-]n1)c2N1CC[C@H](c2ccco2)C1 ZINC000822775510 599548155 /nfs/dbraw/zinc/54/81/55/599548155.db2.gz XOONCFHHVIONRR-JTQLQIEISA-N -1 3 368.347 3.280 20 0 FGADHM Cc1ccc(C[C@@H](C)N(C)C(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000737334453 599553551 /nfs/dbraw/zinc/55/35/51/599553551.db2.gz HNPCHDCEPXWZST-CJTWTEFWSA-N -1 3 361.449 3.278 20 0 FGADHM Cc1ccc(C[C@@H](C)N(C)C(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000737334453 599553552 /nfs/dbraw/zinc/55/35/52/599553552.db2.gz HNPCHDCEPXWZST-CJTWTEFWSA-N -1 3 361.449 3.278 20 0 FGADHM CC[C@]1(C)CCCN(C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)C1 ZINC000820950281 599555087 /nfs/dbraw/zinc/55/50/87/599555087.db2.gz LNSFFAINTZPOKT-GOSISDBHSA-N -1 3 359.478 3.467 20 0 FGADHM CC[C@]1(C)CCCN(C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)C1 ZINC000820950281 599555089 /nfs/dbraw/zinc/55/50/89/599555089.db2.gz LNSFFAINTZPOKT-GOSISDBHSA-N -1 3 359.478 3.467 20 0 FGADHM CN(c1c(-c2nnn[n-]2)cnc2ccccc21)[C@@H]1CCc2ccccc2C1 ZINC000821619320 599557967 /nfs/dbraw/zinc/55/79/67/599557967.db2.gz RANVNESIHMCEOT-MRXNPFEDSA-N -1 3 356.433 3.409 20 0 FGADHM CN(c1c(-c2nn[n-]n2)cnc2ccccc21)[C@@H]1CCc2ccccc2C1 ZINC000821619320 599557968 /nfs/dbraw/zinc/55/79/68/599557968.db2.gz RANVNESIHMCEOT-MRXNPFEDSA-N -1 3 356.433 3.409 20 0 FGADHM CC1(C)CN(c2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)CCCO1 ZINC000820607239 599561254 /nfs/dbraw/zinc/56/12/54/599561254.db2.gz NIEYHGWZUJIMEG-UHFFFAOYSA-N -1 3 358.833 3.074 20 0 FGADHM CC1(C)CN(c2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)CCCO1 ZINC000820607239 599561256 /nfs/dbraw/zinc/56/12/56/599561256.db2.gz NIEYHGWZUJIMEG-UHFFFAOYSA-N -1 3 358.833 3.074 20 0 FGADHM CC(C)(C)[C@H]1OCCC[C@@H]1CNc1c(-c2nnn[n-]2)cnc2ccccc21 ZINC000819908123 599563286 /nfs/dbraw/zinc/56/32/86/599563286.db2.gz WOYLGEYNKFILPB-ACJLOTCBSA-N -1 3 366.469 3.090 20 0 FGADHM CC(C)(C)[C@H]1OCCC[C@@H]1CNc1c(-c2nn[n-]n2)cnc2ccccc21 ZINC000819908123 599563287 /nfs/dbraw/zinc/56/32/87/599563287.db2.gz WOYLGEYNKFILPB-ACJLOTCBSA-N -1 3 366.469 3.090 20 0 FGADHM Cc1cc(C)cc(N(C)Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)c1 ZINC000822196832 599565472 /nfs/dbraw/zinc/56/54/72/599565472.db2.gz YEWUZHHENASOND-UHFFFAOYSA-N -1 3 361.409 3.170 20 0 FGADHM Cc1cc(C)cc(N(C)Cc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)c1 ZINC000822196832 599565474 /nfs/dbraw/zinc/56/54/74/599565474.db2.gz YEWUZHHENASOND-UHFFFAOYSA-N -1 3 361.409 3.170 20 0 FGADHM O=C(c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)N1C[C@H]2CCC[C@H]21 ZINC000738274323 599574224 /nfs/dbraw/zinc/57/42/24/599574224.db2.gz RNWVKVSNFUMGSA-CRAIPNDOSA-N -1 3 361.405 3.284 20 0 FGADHM O=C(c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)N1C[C@H]2CCC[C@H]21 ZINC000738274323 599574226 /nfs/dbraw/zinc/57/42/26/599574226.db2.gz RNWVKVSNFUMGSA-CRAIPNDOSA-N -1 3 361.405 3.284 20 0 FGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N1CCC2(CCCC2)CC1 ZINC000737942645 599579240 /nfs/dbraw/zinc/57/92/40/599579240.db2.gz MKWSAOKKNRXGGW-UHFFFAOYSA-N -1 3 357.483 3.142 20 0 FGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N1CCC2(CCCC2)CC1 ZINC000737942645 599579242 /nfs/dbraw/zinc/57/92/42/599579242.db2.gz MKWSAOKKNRXGGW-UHFFFAOYSA-N -1 3 357.483 3.142 20 0 FGADHM Cc1ccc(C[C@@H](C)N(C)C(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737334669 599600071 /nfs/dbraw/zinc/60/00/71/599600071.db2.gz LAFMUHGHZHKINH-CQSZACIVSA-N -1 3 350.426 3.270 20 0 FGADHM Cc1ccc(C[C@@H](C)N(C)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737334669 599600073 /nfs/dbraw/zinc/60/00/73/599600073.db2.gz LAFMUHGHZHKINH-CQSZACIVSA-N -1 3 350.426 3.270 20 0 FGADHM CC[C@@H](Cc1ccc(C)cc1)OC(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000820913496 599625862 /nfs/dbraw/zinc/62/58/62/599625862.db2.gz HBDJSSCGYVNDOY-KRWDZBQOSA-N -1 3 366.421 3.118 20 0 FGADHM CC[C@@H](Cc1ccc(C)cc1)OC(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000820913496 599625863 /nfs/dbraw/zinc/62/58/63/599625863.db2.gz HBDJSSCGYVNDOY-KRWDZBQOSA-N -1 3 366.421 3.118 20 0 FGADHM O=C(OCCc1ccc(C(F)(F)F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000823410206 599625993 /nfs/dbraw/zinc/62/59/93/599625993.db2.gz RRHZVTDYUKCXFU-UHFFFAOYSA-N -1 3 362.311 3.285 20 0 FGADHM O=C(OCCc1ccc(C(F)(F)F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000823410206 599625992 /nfs/dbraw/zinc/62/59/92/599625992.db2.gz RRHZVTDYUKCXFU-UHFFFAOYSA-N -1 3 362.311 3.285 20 0 FGADHM CCN(Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)c1ccc(C)cc1 ZINC000821230862 599636872 /nfs/dbraw/zinc/63/68/72/599636872.db2.gz SWNJCMPYJSRRIB-UHFFFAOYSA-N -1 3 361.409 3.252 20 0 FGADHM CCN(Cc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)c1ccc(C)cc1 ZINC000821230862 599636873 /nfs/dbraw/zinc/63/68/73/599636873.db2.gz SWNJCMPYJSRRIB-UHFFFAOYSA-N -1 3 361.409 3.252 20 0 FGADHM CC(C)CCc1nc(COC(=O)Cc2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000820081451 599659218 /nfs/dbraw/zinc/65/92/18/599659218.db2.gz GVZRAJLIJCCPKF-UHFFFAOYSA-N -1 3 371.466 3.198 20 0 FGADHM CC(C)CCc1nc(COC(=O)Cc2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000820081451 599659219 /nfs/dbraw/zinc/65/92/19/599659219.db2.gz GVZRAJLIJCCPKF-UHFFFAOYSA-N -1 3 371.466 3.198 20 0 FGADHM C[C@H](NC(=O)NC(C)(C)c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820351482 599673171 /nfs/dbraw/zinc/67/31/71/599673171.db2.gz PSHWJTYQOHPPMM-ZDUSSCGKSA-N -1 3 350.426 3.162 20 0 FGADHM C[C@H](NC(=O)NC(C)(C)c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820351482 599673172 /nfs/dbraw/zinc/67/31/72/599673172.db2.gz PSHWJTYQOHPPMM-ZDUSSCGKSA-N -1 3 350.426 3.162 20 0 FGADHM C[C@H](c1cccc(O)c1)N(C)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820342025 599679841 /nfs/dbraw/zinc/67/98/41/599679841.db2.gz SAKKFDFUTNNPLC-QWHCGFSZSA-N -1 3 366.425 3.036 20 0 FGADHM C[C@H](c1cccc(O)c1)N(C)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820342025 599679842 /nfs/dbraw/zinc/67/98/42/599679842.db2.gz SAKKFDFUTNNPLC-QWHCGFSZSA-N -1 3 366.425 3.036 20 0 FGADHM CCS[C@@H]1CCCCN(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000821456870 599681646 /nfs/dbraw/zinc/68/16/46/599681646.db2.gz SIUKXIIEGOTLRN-CZUORRHYSA-N -1 3 374.514 3.245 20 0 FGADHM CCS[C@@H]1CCCCN(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000821456870 599681647 /nfs/dbraw/zinc/68/16/47/599681647.db2.gz SIUKXIIEGOTLRN-CZUORRHYSA-N -1 3 374.514 3.245 20 0 FGADHM CCS[C@H]1CCCCN(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000821456868 599681858 /nfs/dbraw/zinc/68/18/58/599681858.db2.gz SIUKXIIEGOTLRN-CJNGLKHVSA-N -1 3 374.514 3.245 20 0 FGADHM CCS[C@H]1CCCCN(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000821456868 599681859 /nfs/dbraw/zinc/68/18/59/599681859.db2.gz SIUKXIIEGOTLRN-CJNGLKHVSA-N -1 3 374.514 3.245 20 0 FGADHM CCC1(CNc2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)CCOCC1 ZINC000820962646 599688833 /nfs/dbraw/zinc/68/88/33/599688833.db2.gz XGJOYRLYWLCFAC-UHFFFAOYSA-N -1 3 374.395 3.312 20 0 FGADHM CCC1(CNc2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)CCOCC1 ZINC000820962646 599688834 /nfs/dbraw/zinc/68/88/34/599688834.db2.gz XGJOYRLYWLCFAC-UHFFFAOYSA-N -1 3 374.395 3.312 20 0 FGADHM FC(F)Oc1ccc(Cl)cc1CNc1ccc(-c2nnn[n-]2)cn1 ZINC000822733332 599689468 /nfs/dbraw/zinc/68/94/68/599689468.db2.gz YHOJMATZBQHBTN-UHFFFAOYSA-N -1 3 352.732 3.129 20 0 FGADHM FC(F)Oc1ccc(Cl)cc1CNc1ccc(-c2nn[n-]n2)cn1 ZINC000822733332 599689469 /nfs/dbraw/zinc/68/94/69/599689469.db2.gz YHOJMATZBQHBTN-UHFFFAOYSA-N -1 3 352.732 3.129 20 0 FGADHM CCc1ccc([C@@H](CNC(=O)c2ccccc2NC(=O)[O-])N(C)C)cc1 ZINC000737258528 599706315 /nfs/dbraw/zinc/70/63/15/599706315.db2.gz HBDWQIVCHNYIRQ-GOSISDBHSA-N -1 3 355.438 3.372 20 0 FGADHM Cc1oc(C(=O)[O-])cc1CN1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000738957846 599785208 /nfs/dbraw/zinc/78/52/08/599785208.db2.gz PBDQQOALZRAICQ-UHFFFAOYSA-N -1 3 360.385 3.276 20 0 FGADHM CC(C)Oc1ccc(NC(=O)C=Cc2cccs2)cc1-c1nnn[n-]1 ZINC000820161584 607398558 /nfs/dbraw/zinc/39/85/58/607398558.db2.gz XNTXDIMDLLVHBY-SOFGYWHQSA-N -1 3 355.423 3.367 20 0 FGADHM CC(C)Oc1ccc(NC(=O)C=Cc2cccs2)cc1-c1nn[n-]n1 ZINC000820161584 607398559 /nfs/dbraw/zinc/39/85/59/607398559.db2.gz XNTXDIMDLLVHBY-SOFGYWHQSA-N -1 3 355.423 3.367 20 0 FGADHM CC(C)C(=O)N[C@@H]1CCCN(Cc2c3ccccc3sc2C(=O)[O-])C1 ZINC000736345248 599937243 /nfs/dbraw/zinc/93/72/43/599937243.db2.gz MIAMVVZOKSEIMP-CYBMUJFWSA-N -1 3 360.479 3.336 20 0 FGADHM CCOC(=O)N[C@@H]1CCCN(Cc2c3ccccc3sc2C(=O)[O-])C1 ZINC000737147197 599937348 /nfs/dbraw/zinc/93/73/48/599937348.db2.gz UJOKHPQFMXVUSA-GFCCVEGCSA-N -1 3 362.451 3.310 20 0 FGADHM COc1cccc([C@H]2C[C@@H]2C(=O)OCc2ccc(-c3nnn[n-]3)cc2C)c1 ZINC000826215837 607409227 /nfs/dbraw/zinc/40/92/27/607409227.db2.gz ZSNXJSVMDAVYTH-MSOLQXFVSA-N -1 3 364.405 3.031 20 0 FGADHM COc1cccc([C@H]2C[C@@H]2C(=O)OCc2ccc(-c3nn[n-]n3)cc2C)c1 ZINC000826215837 607409228 /nfs/dbraw/zinc/40/92/28/607409228.db2.gz ZSNXJSVMDAVYTH-MSOLQXFVSA-N -1 3 364.405 3.031 20 0 FGADHM COc1cccc([C@@H]2C[C@H]2C(=O)OCc2ccc(-c3nnn[n-]3)cc2C)c1 ZINC000826215840 607409334 /nfs/dbraw/zinc/40/93/34/607409334.db2.gz ZSNXJSVMDAVYTH-ZWKOTPCHSA-N -1 3 364.405 3.031 20 0 FGADHM COc1cccc([C@@H]2C[C@H]2C(=O)OCc2ccc(-c3nn[n-]n3)cc2C)c1 ZINC000826215840 607409336 /nfs/dbraw/zinc/40/93/36/607409336.db2.gz ZSNXJSVMDAVYTH-ZWKOTPCHSA-N -1 3 364.405 3.031 20 0 FGADHM O=C([O-])[C@H](c1ccc(F)cc1)N1CCC(NC(=O)CC2CCCC2)CC1 ZINC000739219274 599977918 /nfs/dbraw/zinc/97/79/18/599977918.db2.gz RTIFNJQXIRIIJG-IBGZPJMESA-N -1 3 362.445 3.112 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)c1sc(C(C)C)nc1C ZINC000821749341 607414038 /nfs/dbraw/zinc/41/40/38/607414038.db2.gz HSGIJSLRIOVMGS-UHFFFAOYSA-N -1 3 373.438 3.121 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)c1sc(C(C)C)nc1C ZINC000821749341 607414039 /nfs/dbraw/zinc/41/40/39/607414039.db2.gz HSGIJSLRIOVMGS-UHFFFAOYSA-N -1 3 373.438 3.121 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)C[C@H](C)c1ccc(F)cc1 ZINC000821741457 607416604 /nfs/dbraw/zinc/41/66/04/607416604.db2.gz LXMSZEKTFNMCNF-LBPRGKRZSA-N -1 3 370.384 3.251 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)C[C@H](C)c1ccc(F)cc1 ZINC000821741457 607416605 /nfs/dbraw/zinc/41/66/05/607416605.db2.gz LXMSZEKTFNMCNF-LBPRGKRZSA-N -1 3 370.384 3.251 20 0 FGADHM C[C@H](CC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1cccc(F)c1 ZINC000824385612 607420593 /nfs/dbraw/zinc/42/05/93/607420593.db2.gz XRUGGSZRSJESEK-CYBMUJFWSA-N -1 3 365.412 3.305 20 0 FGADHM C[C@H](CC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1cccc(F)c1 ZINC000824385612 607420596 /nfs/dbraw/zinc/42/05/96/607420596.db2.gz XRUGGSZRSJESEK-CYBMUJFWSA-N -1 3 365.412 3.305 20 0 FGADHM Cc1occc1CN(C)C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000822553632 607428566 /nfs/dbraw/zinc/42/85/66/607428566.db2.gz NYAPOSOYVSLHOV-UHFFFAOYSA-N -1 3 370.413 3.219 20 0 FGADHM Cc1occc1CN(C)C(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000822553632 607428569 /nfs/dbraw/zinc/42/85/69/607428569.db2.gz NYAPOSOYVSLHOV-UHFFFAOYSA-N -1 3 370.413 3.219 20 0 FGADHM CC(C)N(CCC(=O)[O-])CC(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000736465413 600220847 /nfs/dbraw/zinc/22/08/47/600220847.db2.gz DEZJBXMVWGHPCF-UHFFFAOYSA-N -1 3 364.776 3.065 20 0 FGADHM CC(C)Oc1ccc(NC(=O)N2CCC[C@H]2C2CCC2)cc1-c1nnn[n-]1 ZINC000820164311 607430683 /nfs/dbraw/zinc/43/06/83/607430683.db2.gz HHMMBFWHIPMACM-INIZCTEOSA-N -1 3 370.457 3.450 20 0 FGADHM CC(C)Oc1ccc(NC(=O)N2CCC[C@H]2C2CCC2)cc1-c1nn[n-]n1 ZINC000820164311 607430684 /nfs/dbraw/zinc/43/06/84/607430684.db2.gz HHMMBFWHIPMACM-INIZCTEOSA-N -1 3 370.457 3.450 20 0 FGADHM O=C([O-])CCCN1CCN(c2cccc(OCc3ccc(F)cc3)c2)CC1 ZINC000262173732 600231389 /nfs/dbraw/zinc/23/13/89/600231389.db2.gz CWSVUMUKSWLRHK-UHFFFAOYSA-N -1 3 372.440 3.392 20 0 FGADHM CCCCN(C)c1ccc(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000825282492 607436345 /nfs/dbraw/zinc/43/63/45/607436345.db2.gz UTVLDKZNTFDVIR-UHFFFAOYSA-N -1 3 364.453 3.380 20 0 FGADHM CCCCN(C)c1ccc(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825282492 607436347 /nfs/dbraw/zinc/43/63/47/607436347.db2.gz UTVLDKZNTFDVIR-UHFFFAOYSA-N -1 3 364.453 3.380 20 0 FGADHM CN(C(=O)[C@H]1C[C@]12CCCc1ccccc12)c1ccc(-c2nnn[n-]2)cc1 ZINC000825812292 607433274 /nfs/dbraw/zinc/43/32/74/607433274.db2.gz JTNSRSBCSISVOC-NQIIRXRSSA-N -1 3 359.433 3.124 20 0 FGADHM CN(C(=O)[C@H]1C[C@]12CCCc1ccccc12)c1ccc(-c2nn[n-]n2)cc1 ZINC000825812292 607433277 /nfs/dbraw/zinc/43/32/77/607433277.db2.gz JTNSRSBCSISVOC-NQIIRXRSSA-N -1 3 359.433 3.124 20 0 FGADHM CN(C)Cc1c2ccccc2oc1C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC000737368990 600383509 /nfs/dbraw/zinc/38/35/09/600383509.db2.gz XYQRSYALMWHGGG-UHFFFAOYSA-N -1 3 366.417 3.165 20 0 FGADHM Cc1cc(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)cc(C)c1OC(F)F ZINC000826257978 607440872 /nfs/dbraw/zinc/44/08/72/607440872.db2.gz VRUFVVKPUCAOQL-UHFFFAOYSA-N -1 3 373.363 3.362 20 0 FGADHM Cc1cc(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)cc(C)c1OC(F)F ZINC000826257978 607440874 /nfs/dbraw/zinc/44/08/74/607440874.db2.gz VRUFVVKPUCAOQL-UHFFFAOYSA-N -1 3 373.363 3.362 20 0 FGADHM CC(C)c1ccccc1OCC(=O)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000824352373 607441692 /nfs/dbraw/zinc/44/16/92/607441692.db2.gz BILYXBJFIXFQMF-UHFFFAOYSA-N -1 3 351.410 3.032 20 0 FGADHM CC(C)c1ccccc1OCC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000824352373 607441693 /nfs/dbraw/zinc/44/16/93/607441693.db2.gz BILYXBJFIXFQMF-UHFFFAOYSA-N -1 3 351.410 3.032 20 0 FGADHM CN(C(=O)c1cncc(-c2ccccc2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825834142 607442647 /nfs/dbraw/zinc/44/26/47/607442647.db2.gz PWDULZYJZMBVAN-UHFFFAOYSA-N -1 3 356.389 3.205 20 0 FGADHM CN(C(=O)c1cncc(-c2ccccc2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825834142 607442648 /nfs/dbraw/zinc/44/26/48/607442648.db2.gz PWDULZYJZMBVAN-UHFFFAOYSA-N -1 3 356.389 3.205 20 0 FGADHM Cc1cc(C)n(-c2ccc(C(=O)OCc3ccccc3-c3nnn[n-]3)cc2)n1 ZINC000822197537 607451506 /nfs/dbraw/zinc/45/15/06/607451506.db2.gz FBFKUSHEQIMFFR-UHFFFAOYSA-N -1 3 374.404 3.026 20 0 FGADHM Cc1cc(C)n(-c2ccc(C(=O)OCc3ccccc3-c3nn[n-]n3)cc2)n1 ZINC000822197537 607451507 /nfs/dbraw/zinc/45/15/07/607451507.db2.gz FBFKUSHEQIMFFR-UHFFFAOYSA-N -1 3 374.404 3.026 20 0 FGADHM O=C([O-])c1cc(NC(=O)NC[C@@H]2CCCN2Cc2ccccc2)ccc1F ZINC000390681288 600540990 /nfs/dbraw/zinc/54/09/90/600540990.db2.gz XNUHLKQHQGXYGG-INIZCTEOSA-N -1 3 371.412 3.310 20 0 FGADHM CCCN1CCC[C@@H]1C(=O)NC[C@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000737029501 600602914 /nfs/dbraw/zinc/60/29/14/600602914.db2.gz ADDRGLOYWOURMC-VQTJNVASSA-N -1 3 368.477 3.074 20 0 FGADHM CCN1C(=O)c2cc(Cl)ccc2N[C@@H]1c1ccc(-c2nnn[n-]2)cc1F ZINC000821241443 607461220 /nfs/dbraw/zinc/46/12/20/607461220.db2.gz MUQFKYXPQGHMMO-INIZCTEOSA-N -1 3 372.791 3.246 20 0 FGADHM CCN1C(=O)c2cc(Cl)ccc2N[C@@H]1c1ccc(-c2nn[n-]n2)cc1F ZINC000821241443 607461221 /nfs/dbraw/zinc/46/12/21/607461221.db2.gz MUQFKYXPQGHMMO-INIZCTEOSA-N -1 3 372.791 3.246 20 0 FGADHM Cc1[nH]nc(NC(=O)c2ccc(-c3nnn[n-]3)cc2C)c1-c1ccccc1 ZINC000826249858 607462104 /nfs/dbraw/zinc/46/21/04/607462104.db2.gz YSOBLMXJPMDCTQ-UHFFFAOYSA-N -1 3 359.393 3.126 20 0 FGADHM Cc1[nH]nc(NC(=O)c2ccc(-c3nn[n-]n3)cc2C)c1-c1ccccc1 ZINC000826249858 607462105 /nfs/dbraw/zinc/46/21/05/607462105.db2.gz YSOBLMXJPMDCTQ-UHFFFAOYSA-N -1 3 359.393 3.126 20 0 FGADHM O[C@H](C[C@H]1CCCN1c1ccc(F)cc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000823674014 607468870 /nfs/dbraw/zinc/46/88/70/607468870.db2.gz OQTNPGHNVKNTMS-CRAIPNDOSA-N -1 3 371.391 3.237 20 0 FGADHM O[C@H](C[C@H]1CCCN1c1ccc(F)cc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000823674014 607468871 /nfs/dbraw/zinc/46/88/71/607468871.db2.gz OQTNPGHNVKNTMS-CRAIPNDOSA-N -1 3 371.391 3.237 20 0 FGADHM CC[C@H](C)c1ccc(NC(=O)CN(CCC(=O)[O-])C2CCOCC2)cc1 ZINC000828764708 600857489 /nfs/dbraw/zinc/85/74/89/600857489.db2.gz MEJHODIFMSEWBG-HNNXBMFYSA-N -1 3 362.470 3.094 20 0 FGADHM C[C@](NCc1coc(-c2ccc(Br)cc2)n1)(C(=O)[O-])C1CC1 ZINC000827742020 601034446 /nfs/dbraw/zinc/03/44/46/601034446.db2.gz ZRVSEJCJLHPOKE-MRXNPFEDSA-N -1 3 365.227 3.447 20 0 FGADHM COC[C@@](C)(CC(=O)[O-])NCc1cc(=O)oc2cc(C)c(C(C)C)cc12 ZINC000831578437 601135322 /nfs/dbraw/zinc/13/53/22/601135322.db2.gz NWYXCXMCCMYFRF-HXUWFJFHSA-N -1 3 361.438 3.194 20 0 FGADHM C[C@@H](CSCc1ccccc1)C(=O)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000820294049 607493883 /nfs/dbraw/zinc/49/38/83/607493883.db2.gz QLLGBAGWEQBKRV-ZDUSSCGKSA-N -1 3 354.435 3.342 20 0 FGADHM C[C@@H](CSCc1ccccc1)C(=O)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000820294049 607493884 /nfs/dbraw/zinc/49/38/84/607493884.db2.gz QLLGBAGWEQBKRV-ZDUSSCGKSA-N -1 3 354.435 3.342 20 0 FGADHM C[C@H](C(=O)[O-])[C@H](NCC(=O)Nc1ccc(F)c(Cl)c1)c1ccccc1 ZINC000826054793 601201167 /nfs/dbraw/zinc/20/11/67/601201167.db2.gz QPWJKIDROAYGOQ-GTNSWQLSSA-N -1 3 364.804 3.469 20 0 FGADHM C[C@H](C(=O)[O-])[C@@H](NCC(=O)N[C@H](c1ccccc1)C1CC1)c1ccccc1 ZINC000826044631 601205917 /nfs/dbraw/zinc/20/59/17/601205917.db2.gz JQJFJIBVVOIKRT-IWMITWMQSA-N -1 3 366.461 3.306 20 0 FGADHM CCC(CC)(CC(=O)[O-])NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000828777006 601307922 /nfs/dbraw/zinc/30/79/22/601307922.db2.gz YYKXGHJKAYTQKE-INIZCTEOSA-N -1 3 364.461 3.187 20 0 FGADHM C[C@H]1[C@@H](c2ccccc2)CCN1CC(=O)NCc1ccc(NC(=O)[O-])cc1 ZINC000828150273 601329517 /nfs/dbraw/zinc/32/95/17/601329517.db2.gz PJGYTPLXBPNKJZ-KXBFYZLASA-N -1 3 367.449 3.271 20 0 FGADHM N=C(COc1cccc(C(=O)[O-])c1)NOCc1coc(-c2cccs2)n1 ZINC000833089696 601352819 /nfs/dbraw/zinc/35/28/19/601352819.db2.gz USYCYMPZVJKKMN-UHFFFAOYSA-N -1 3 373.390 3.179 20 0 FGADHM CCCCn1ncc(NC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1C ZINC000821082418 607506561 /nfs/dbraw/zinc/50/65/61/607506561.db2.gz KFXUZENBSRSBDL-UHFFFAOYSA-N -1 3 374.836 3.469 20 0 FGADHM CCCCn1ncc(NC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1C ZINC000821082418 607506562 /nfs/dbraw/zinc/50/65/62/607506562.db2.gz KFXUZENBSRSBDL-UHFFFAOYSA-N -1 3 374.836 3.469 20 0 FGADHM Cc1ccc2cc(C(=O)OCc3ccc(F)cc3-c3nnn[n-]3)ccc2n1 ZINC000822280661 607506939 /nfs/dbraw/zinc/50/69/39/607506939.db2.gz VNHRPZWGCDGVAX-UHFFFAOYSA-N -1 3 363.352 3.219 20 0 FGADHM Cc1ccc2cc(C(=O)OCc3ccc(F)cc3-c3nn[n-]n3)ccc2n1 ZINC000822280661 607506942 /nfs/dbraw/zinc/50/69/42/607506942.db2.gz VNHRPZWGCDGVAX-UHFFFAOYSA-N -1 3 363.352 3.219 20 0 FGADHM CCCCn1ncc(NC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)c1C ZINC000821083081 607507626 /nfs/dbraw/zinc/50/76/26/607507626.db2.gz SYEADPAJQVUGFZ-UHFFFAOYSA-N -1 3 374.836 3.469 20 0 FGADHM CCCCn1ncc(NC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)c1C ZINC000821083081 607507628 /nfs/dbraw/zinc/50/76/28/607507628.db2.gz SYEADPAJQVUGFZ-UHFFFAOYSA-N -1 3 374.836 3.469 20 0 FGADHM C[C@@H]1CN(Cc2cc(Cl)ccc2OCc2cccnc2)C[C@@H]1C(=O)[O-] ZINC000828457581 601535667 /nfs/dbraw/zinc/53/56/67/601535667.db2.gz UXHBTXLPCMCHHL-DYVFJYSZSA-N -1 3 360.841 3.467 20 0 FGADHM COC(=O)c1cc2cc(CN3CCc4ccccc4[C@@H]3C(=O)[O-])ccc2o1 ZINC000831354320 601548148 /nfs/dbraw/zinc/54/81/48/601548148.db2.gz YPRDUTDRFJRJLP-LJQANCHMSA-N -1 3 365.385 3.403 20 0 FGADHM COc1ccc(NC(=O)[C@H](NCC(C)(C)C(=O)[O-])c2ccccc2)cc1 ZINC000832393915 601644417 /nfs/dbraw/zinc/64/44/17/601644417.db2.gz JRKDVNFHNZZPOQ-QGZVFWFLSA-N -1 3 356.422 3.075 20 0 FGADHM C[C@@H]1CCC[C@@H](C(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)C1 ZINC000828232147 601728593 /nfs/dbraw/zinc/72/85/93/601728593.db2.gz BKLOJYPKSZETTG-BLIXFSHQSA-N -1 3 358.482 3.048 20 0 FGADHM Fc1ccc([C@H]2CCCCN2Cc2ccnc(-c3nnn[n-]3)c2)c(F)c1 ZINC000826374063 607524849 /nfs/dbraw/zinc/52/48/49/607524849.db2.gz KBZWGNOYNMCIPK-QGZVFWFLSA-N -1 3 356.380 3.267 20 0 FGADHM Fc1ccc([C@H]2CCCCN2Cc2ccnc(-c3nn[n-]n3)c2)c(F)c1 ZINC000826374063 607524851 /nfs/dbraw/zinc/52/48/51/607524851.db2.gz KBZWGNOYNMCIPK-QGZVFWFLSA-N -1 3 356.380 3.267 20 0 FGADHM C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CN1CCC(CCC(=O)[O-])CC1 ZINC000662218469 601844300 /nfs/dbraw/zinc/84/43/00/601844300.db2.gz OGDVYMKJKBVRIC-CQSZACIVSA-N -1 3 366.889 3.436 20 0 FGADHM COc1cc(-c2nc(CN[C@@H](C(=O)[O-])C(C)(C)C)cs2)ccc1O ZINC000831856448 601870884 /nfs/dbraw/zinc/87/08/84/601870884.db2.gz HFZQHZAICQCVEB-AWEZNQCLSA-N -1 3 350.440 3.113 20 0 FGADHM CCc1ncsc1C(=O)N(CC)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825754773 607531785 /nfs/dbraw/zinc/53/17/85/607531785.db2.gz HIPUNULROYFBNW-NSHDSACASA-N -1 3 356.455 3.109 20 0 FGADHM CCc1ncsc1C(=O)N(CC)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825754773 607531786 /nfs/dbraw/zinc/53/17/86/607531786.db2.gz HIPUNULROYFBNW-NSHDSACASA-N -1 3 356.455 3.109 20 0 FGADHM C[C@@H](CN(CC(=O)N[C@@H](c1cccs1)C(C)(C)C)C1CC1)C(=O)[O-] ZINC000827449688 601917568 /nfs/dbraw/zinc/91/75/68/601917568.db2.gz NUOAOMNPPQXGNO-LRDDRELGSA-N -1 3 352.500 3.137 20 0 FGADHM C[C@H]1C[C@@H](NC(=O)Nc2cc(C(=O)[O-])ccc2F)CN1Cc1ccccc1 ZINC000398231304 601930269 /nfs/dbraw/zinc/93/02/69/601930269.db2.gz ZVZWKDWSKRVLMV-XJKSGUPXSA-N -1 3 371.412 3.308 20 0 FGADHM O=C([O-])c1ccc(CN2CCC(C(=O)NC3CCCCC3)CC2)s1 ZINC000833314535 601945740 /nfs/dbraw/zinc/94/57/40/601945740.db2.gz LFWIPPYENCCVBX-UHFFFAOYSA-N -1 3 350.484 3.107 20 0 FGADHM COc1cccc(CNCC2(NC(=O)[O-])CCCCC2)c1OC(F)F ZINC000739943861 602000316 /nfs/dbraw/zinc/00/03/16/602000316.db2.gz GRSSOJXKJLFTAQ-UHFFFAOYSA-N -1 3 358.385 3.357 20 0 FGADHM COC(=O)[C@H]1CC12CCN([C@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1)CC2 ZINC000831101582 602041955 /nfs/dbraw/zinc/04/19/55/602041955.db2.gz WWIXVLKUPIWGAG-KGLIPLIRSA-N -1 3 372.248 3.394 20 0 FGADHM C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000828431318 602043443 /nfs/dbraw/zinc/04/34/43/602043443.db2.gz HRWBUGSSRYLJKZ-OTYXRUKQSA-N -1 3 371.359 3.008 20 0 FGADHM O=C([O-])[C@H]1CCCCCC[C@H]1NC(=O)c1cccc(CN2CCCC2)c1 ZINC000833132149 602056911 /nfs/dbraw/zinc/05/69/11/602056911.db2.gz VCFUDXKZOOXZRL-RBUKOAKNSA-N -1 3 358.482 3.436 20 0 FGADHM COc1ccc(COc2c(F)c(F)c(F)c(F)c2F)cc1-c1nnn[n-]1 ZINC000826206899 607543723 /nfs/dbraw/zinc/54/37/23/607543723.db2.gz QBSHHEGTGZJCRY-UHFFFAOYSA-N -1 3 372.253 3.150 20 0 FGADHM COc1ccc(COc2c(F)c(F)c(F)c(F)c2F)cc1-c1nn[n-]n1 ZINC000826206899 607543724 /nfs/dbraw/zinc/54/37/24/607543724.db2.gz QBSHHEGTGZJCRY-UHFFFAOYSA-N -1 3 372.253 3.150 20 0 FGADHM Cc1nn(C)c(Oc2ccccc2)c1CNC[C@@H]1CCCCN1C(=O)[O-] ZINC000740247051 602096974 /nfs/dbraw/zinc/09/69/74/602096974.db2.gz UDABGGAUODMDRC-HNNXBMFYSA-N -1 3 358.442 3.143 20 0 FGADHM CCC(C)(C)[C@H]1CCCN1C(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000825039389 607548174 /nfs/dbraw/zinc/54/81/74/607548174.db2.gz RGQMUMJMDHXFJU-CZUORRHYSA-N -1 3 357.458 3.061 20 0 FGADHM CCC(C)(C)[C@H]1CCCN1C(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000825039389 607548175 /nfs/dbraw/zinc/54/81/75/607548175.db2.gz RGQMUMJMDHXFJU-CZUORRHYSA-N -1 3 357.458 3.061 20 0 FGADHM Fc1cnc(Nc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)nc1 ZINC000826378542 607557118 /nfs/dbraw/zinc/55/71/18/607557118.db2.gz OZNPDFNFGJVLEG-UHFFFAOYSA-N -1 3 363.356 3.118 20 0 FGADHM Fc1cnc(Nc2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)nc1 ZINC000826378542 607557120 /nfs/dbraw/zinc/55/71/20/607557120.db2.gz OZNPDFNFGJVLEG-UHFFFAOYSA-N -1 3 363.356 3.118 20 0 FGADHM CN(C(=O)Nc1cccc(C(=O)[O-])c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000311853742 602309285 /nfs/dbraw/zinc/30/92/85/602309285.db2.gz SYQZXCBONIXKNZ-SFHVURJKSA-N -1 3 353.422 3.123 20 0 FGADHM C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)Nc2ccc(C(=O)[O-])c(F)c2)C1 ZINC000827948890 602389025 /nfs/dbraw/zinc/38/90/25/602389025.db2.gz HCPQFLHHTXWPIG-BBRMVZONSA-N -1 3 371.412 3.481 20 0 FGADHM CCCC[C@@H]1CCC[C@@H]1NC(=O)NCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000825267729 607564642 /nfs/dbraw/zinc/56/46/42/607564642.db2.gz LYGWIKGVURECRC-ZBFHGGJFSA-N -1 3 372.473 3.033 20 0 FGADHM CCCC[C@@H]1CCC[C@@H]1NC(=O)NCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000825267729 607564643 /nfs/dbraw/zinc/56/46/43/607564643.db2.gz LYGWIKGVURECRC-ZBFHGGJFSA-N -1 3 372.473 3.033 20 0 FGADHM CCc1ccc2c(CN3CCC([C@@H](C)NC(=O)[O-])CC3)cc(=O)oc2c1 ZINC000739543043 602448998 /nfs/dbraw/zinc/44/89/98/602448998.db2.gz VFCOWPBUQKYRQG-CYBMUJFWSA-N -1 3 358.438 3.224 20 0 FGADHM CC[C@@H](SC)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000825158846 607573502 /nfs/dbraw/zinc/57/35/02/607573502.db2.gz CDGQICLSCAFLPX-SNVBAGLBSA-N -1 3 351.501 3.277 20 0 FGADHM CC[C@@H](SC)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000825158846 607573504 /nfs/dbraw/zinc/57/35/04/607573504.db2.gz CDGQICLSCAFLPX-SNVBAGLBSA-N -1 3 351.501 3.277 20 0 FGADHM CN(C[C@H]1CCN(Cc2c(-c3ccccc3)nc3sccn23)C1)C(=O)[O-] ZINC000739666007 602537438 /nfs/dbraw/zinc/53/74/38/602537438.db2.gz RFRDUMJTXGPNBG-CQSZACIVSA-N -1 3 370.478 3.495 20 0 FGADHM CCC[C@H](C(=O)NCc1ccc(OC)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000825225630 607585665 /nfs/dbraw/zinc/58/56/65/607585665.db2.gz VSQVIHCNISSTRF-INIZCTEOSA-N -1 3 365.437 3.075 20 0 FGADHM CCC[C@H](C(=O)NCc1ccc(OC)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000825225630 607585668 /nfs/dbraw/zinc/58/56/68/607585668.db2.gz VSQVIHCNISSTRF-INIZCTEOSA-N -1 3 365.437 3.075 20 0 FGADHM COc1ccc(COC(=O)c2cc(Cl)ccc2F)cc1-c1nnn[n-]1 ZINC000826205769 607597507 /nfs/dbraw/zinc/59/75/07/607597507.db2.gz LWGUNGASAUOLFB-UHFFFAOYSA-N -1 3 362.748 3.025 20 0 FGADHM COc1ccc(COC(=O)c2cc(Cl)ccc2F)cc1-c1nn[n-]n1 ZINC000826205769 607597509 /nfs/dbraw/zinc/59/75/09/607597509.db2.gz LWGUNGASAUOLFB-UHFFFAOYSA-N -1 3 362.748 3.025 20 0 FGADHM COc1cc(CNC[C@@H](NC(=O)[O-])c2ccccc2)cc(Cl)c1OC ZINC000829124175 603175099 /nfs/dbraw/zinc/17/50/99/603175099.db2.gz AONCADQFRFMFBW-OAHLLOKOSA-N -1 3 364.829 3.456 20 0 FGADHM COc1cc2c(c(CNC[C@H](NC(=O)[O-])c3ccccc3)c1)O[C@H](C)C2 ZINC000829124973 603175310 /nfs/dbraw/zinc/17/53/10/603175310.db2.gz OGPBNVLHZOEFQN-ACJLOTCBSA-N -1 3 356.422 3.117 20 0 FGADHM CN(C(=O)[O-])[C@@H]1CCCN(CCc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000739585959 603410687 /nfs/dbraw/zinc/41/06/87/603410687.db2.gz RIFMZZRNOPUOMF-CQSZACIVSA-N -1 3 364.833 3.007 20 0 FGADHM C[C@@H](NCc1ccc(NC(=O)[O-])nc1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000825502823 603538420 /nfs/dbraw/zinc/53/84/20/603538420.db2.gz LANGQMHWNIDWPY-GFCCVEGCSA-N -1 3 369.425 3.306 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1cccc(Br)c1 ZINC000826250725 607644655 /nfs/dbraw/zinc/64/46/55/607644655.db2.gz PEGIXHKKOHSQQS-UHFFFAOYSA-N -1 3 358.199 3.190 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1cccc(Br)c1 ZINC000826250725 607644657 /nfs/dbraw/zinc/64/46/57/607644657.db2.gz PEGIXHKKOHSQQS-UHFFFAOYSA-N -1 3 358.199 3.190 20 0 FGADHM Cc1ccc(NC(=S)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)cc1C ZINC000826291568 607648067 /nfs/dbraw/zinc/64/80/67/607648067.db2.gz LWAAHTIFQNGFOK-UHFFFAOYSA-N -1 3 364.478 3.459 20 0 FGADHM Cc1ccc(NC(=S)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)cc1C ZINC000826291568 607648068 /nfs/dbraw/zinc/64/80/68/607648068.db2.gz LWAAHTIFQNGFOK-UHFFFAOYSA-N -1 3 364.478 3.459 20 0 FGADHM CN(C(=O)CCSCc1ccc(F)cc1-c1nnn[n-]1)c1ccccc1 ZINC000825818077 607652797 /nfs/dbraw/zinc/65/27/97/607652797.db2.gz VHCHLGQCYOTLEL-UHFFFAOYSA-N -1 3 371.441 3.292 20 0 FGADHM CN(C(=O)CCSCc1ccc(F)cc1-c1nn[n-]n1)c1ccccc1 ZINC000825818077 607652798 /nfs/dbraw/zinc/65/27/98/607652798.db2.gz VHCHLGQCYOTLEL-UHFFFAOYSA-N -1 3 371.441 3.292 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCCCC[C@@H]1c1cccn1C ZINC000826245489 607655108 /nfs/dbraw/zinc/65/51/08/607655108.db2.gz ZMDMZVWTGIGREH-GOSISDBHSA-N -1 3 364.453 3.271 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCCCC[C@@H]1c1cccn1C ZINC000826245489 607655110 /nfs/dbraw/zinc/65/51/10/607655110.db2.gz ZMDMZVWTGIGREH-GOSISDBHSA-N -1 3 364.453 3.271 20 0 FGADHM O=C([O-])N1CCC[C@@H]1[C@H]1CCCN(C[C@H](O)c2cccc(Cl)c2)C1 ZINC000832004086 604038217 /nfs/dbraw/zinc/03/82/17/604038217.db2.gz CRXAQXGMKZLGMU-UAGQMJEPSA-N -1 3 352.862 3.228 20 0 FGADHM C[C@H](NC(=O)[O-])C1CCN(Cc2ccccc2OCC(F)(F)F)CC1 ZINC000825288109 604052681 /nfs/dbraw/zinc/05/26/81/604052681.db2.gz MDVPPAKNQRMFOK-LBPRGKRZSA-N -1 3 360.376 3.496 20 0 FGADHM Cc1ccc(CN(C)C)cc1NC(=O)[C@@H](CNC(=O)[O-])c1ccccc1 ZINC000830307245 604083645 /nfs/dbraw/zinc/08/36/45/604083645.db2.gz AJABWOKUNGSHHX-KRWDZBQOSA-N -1 3 355.438 3.047 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000826246532 607670918 /nfs/dbraw/zinc/67/09/18/607670918.db2.gz GHOJGUBQQAJZRU-JTQLQIEISA-N -1 3 359.792 3.459 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000826246532 607670920 /nfs/dbraw/zinc/67/09/20/607670920.db2.gz GHOJGUBQQAJZRU-JTQLQIEISA-N -1 3 359.792 3.459 20 0 FGADHM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)N(CCN(C)C)C2CCCC2)cc1 ZINC000825423928 604093299 /nfs/dbraw/zinc/09/32/99/604093299.db2.gz WYTMIUJCJNQUCS-CQSZACIVSA-N -1 3 362.474 3.353 20 0 FGADHM Cc1nc(C)c([C@@H](C)N(C)C(=O)c2ccc(-c3nnn[n-]3)cc2C)s1 ZINC000826324248 607687428 /nfs/dbraw/zinc/68/74/28/607687428.db2.gz JTEYFKOHYRWMSS-LLVKDONJSA-N -1 3 356.455 3.082 20 0 FGADHM Cc1nc(C)c([C@@H](C)N(C)C(=O)c2ccc(-c3nn[n-]n3)cc2C)s1 ZINC000826324248 607687429 /nfs/dbraw/zinc/68/74/29/607687429.db2.gz JTEYFKOHYRWMSS-LLVKDONJSA-N -1 3 356.455 3.082 20 0 FGADHM C/C=C(/C=C/C(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1)CC ZINC000828543479 604308847 /nfs/dbraw/zinc/30/88/47/604308847.db2.gz UYGCNZDWXLTRQC-HOMAMHTLSA-N -1 3 356.466 3.135 20 0 FGADHM Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)NCc1ccc(C(=O)[O-])o1 ZINC000832934500 604330721 /nfs/dbraw/zinc/33/07/21/604330721.db2.gz GLSJVZIMFADHDL-LLVKDONJSA-N -1 3 350.802 3.447 20 0 FGADHM Cc1ccc(NC(=O)C[C@@H](C)[C@H]2CCCN(C(=O)[O-])C2)c(CN(C)C)c1 ZINC000830364809 604355256 /nfs/dbraw/zinc/35/52/56/604355256.db2.gz UZOLYDGFVMFCJY-CVEARBPZSA-N -1 3 361.486 3.411 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCc2cccc(F)c2[C@H]1C ZINC000826246000 607694004 /nfs/dbraw/zinc/69/40/04/607694004.db2.gz OISDPCGZWBMYDU-GFCCVEGCSA-N -1 3 351.385 3.074 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCc2cccc(F)c2[C@H]1C ZINC000826246000 607694006 /nfs/dbraw/zinc/69/40/06/607694006.db2.gz OISDPCGZWBMYDU-GFCCVEGCSA-N -1 3 351.385 3.074 20 0 FGADHM CC(C)N1CCN(c2cccc(NC(=O)[C@@H]3CCC[C@H](C(=O)[O-])C3)c2)CC1 ZINC000833499341 604505594 /nfs/dbraw/zinc/50/55/94/604505594.db2.gz NUEZYJUJYNTYDV-SJORKVTESA-N -1 3 373.497 3.047 20 0 FGADHM C[C@H](c1ccc(Cl)cc1)N(C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC000824762316 607702192 /nfs/dbraw/zinc/70/21/92/607702192.db2.gz FSSOFGUUSKZUIV-SNVBAGLBSA-N -1 3 356.817 3.214 20 0 FGADHM C[C@H](c1ccc(Cl)cc1)N(C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC000824762316 607702194 /nfs/dbraw/zinc/70/21/94/607702194.db2.gz FSSOFGUUSKZUIV-SNVBAGLBSA-N -1 3 356.817 3.214 20 0 FGADHM O=C(Nc1ccc(Oc2cccc(F)c2)cc1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826455311 607703443 /nfs/dbraw/zinc/70/34/43/607703443.db2.gz JBANBHJUNJVEII-UHFFFAOYSA-N -1 3 364.340 3.379 20 0 FGADHM O=C(Nc1ccc(Oc2cccc(F)c2)cc1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826455311 607703445 /nfs/dbraw/zinc/70/34/45/607703445.db2.gz JBANBHJUNJVEII-UHFFFAOYSA-N -1 3 364.340 3.379 20 0 FGADHM CCc1cccc(CC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(C)C)c1 ZINC000825722400 607705461 /nfs/dbraw/zinc/70/54/61/607705461.db2.gz FAGJDVPZCNCYLM-UHFFFAOYSA-N -1 3 365.437 3.398 20 0 FGADHM CCc1cccc(CC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(C)C)c1 ZINC000825722400 607705462 /nfs/dbraw/zinc/70/54/62/607705462.db2.gz FAGJDVPZCNCYLM-UHFFFAOYSA-N -1 3 365.437 3.398 20 0 FGADHM Cc1nn(C)c2nc(Cl)c(CN3CCC[C@H](C(C)(C)C(=O)[O-])C3)cc12 ZINC000833756156 604948894 /nfs/dbraw/zinc/94/88/94/604948894.db2.gz BESAVTFVRIUCOB-ZDUSSCGKSA-N -1 3 364.877 3.253 20 0 FGADHM C[C@H]1[C@H](c2ccccc2)c2ccccc2CCN1Cn1cnc(C(=O)[O-])n1 ZINC000828149639 604974629 /nfs/dbraw/zinc/97/46/29/604974629.db2.gz LTHPMCOHRBDVKV-HNAYVOBHSA-N -1 3 362.433 3.013 20 0 FGADHM CC(C)(C(=O)[O-])[C@@H](NCC(=O)Nc1ccc(F)cc1F)c1ccccc1 ZINC000833412830 605177934 /nfs/dbraw/zinc/17/79/34/605177934.db2.gz LQVQMOADBJIBBH-KRWDZBQOSA-N -1 3 362.376 3.345 20 0 FGADHM Cc1cc(OCc2ccccc2)ccc1NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826271740 607740680 /nfs/dbraw/zinc/74/06/80/607740680.db2.gz FMJWPSXXYSSGSL-UHFFFAOYSA-N -1 3 374.404 3.335 20 0 FGADHM Cc1cc(OCc2ccccc2)ccc1NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826271740 607740681 /nfs/dbraw/zinc/74/06/81/607740681.db2.gz FMJWPSXXYSSGSL-UHFFFAOYSA-N -1 3 374.404 3.335 20 0 FGADHM O=C(Nc1ccc(COCc2ccccc2)cc1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826453526 607743137 /nfs/dbraw/zinc/74/31/37/607743137.db2.gz NZKTVPOEBYLAED-UHFFFAOYSA-N -1 3 374.404 3.164 20 0 FGADHM O=C(Nc1ccc(COCc2ccccc2)cc1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826453526 607743138 /nfs/dbraw/zinc/74/31/38/607743138.db2.gz NZKTVPOEBYLAED-UHFFFAOYSA-N -1 3 374.404 3.164 20 0 FGADHM CC1(C)C[C@H]1C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000824796058 607740782 /nfs/dbraw/zinc/74/07/82/607740782.db2.gz LYIHPMXQABIDKE-ZDUSSCGKSA-N -1 3 353.451 3.258 20 0 FGADHM C[C@H]1CN2CCCC[C@@H]2CN1Cc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000833635771 605212655 /nfs/dbraw/zinc/21/26/55/605212655.db2.gz XZULCOSRNQSAMN-KBXCAEBGSA-N -1 3 355.438 3.098 20 0 FGADHM C[C@@]1(NCc2cn(-c3ccc(F)c(Cl)c3)nn2)CCCC[C@H]1C(=O)[O-] ZINC000833569577 605267654 /nfs/dbraw/zinc/26/76/54/605267654.db2.gz NBMIOLMWCVKCJO-SUMWQHHRSA-N -1 3 366.824 3.183 20 0 FGADHM CCSc1ccc(CC(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1 ZINC000825674328 607755201 /nfs/dbraw/zinc/75/52/01/607755201.db2.gz IUCXTSNQMJZWSD-UHFFFAOYSA-N -1 3 353.451 3.468 20 0 FGADHM CCSc1ccc(CC(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1 ZINC000825674328 607755202 /nfs/dbraw/zinc/75/52/02/607755202.db2.gz IUCXTSNQMJZWSD-UHFFFAOYSA-N -1 3 353.451 3.468 20 0 FGADHM O=C([O-])N1CCC[C@H]1[C@H]1CCCN(Cc2ccc(N3CCCC3)nc2)C1 ZINC000834104116 605468038 /nfs/dbraw/zinc/46/80/38/605468038.db2.gz CRHIGDGNSSVGRI-ROUUACIJSA-N -1 3 358.486 3.036 20 0 FGADHM CCOC(=O)Nc1ccc(NC(=O)c2ccc(C)s2)cc1-c1nnn[n-]1 ZINC000825544506 607758331 /nfs/dbraw/zinc/75/83/31/607758331.db2.gz ANTNZIKSTLAXPD-UHFFFAOYSA-N -1 3 372.410 3.057 20 0 FGADHM CCOC(=O)Nc1ccc(NC(=O)c2ccc(C)s2)cc1-c1nn[n-]n1 ZINC000825544506 607758332 /nfs/dbraw/zinc/75/83/32/607758332.db2.gz ANTNZIKSTLAXPD-UHFFFAOYSA-N -1 3 372.410 3.057 20 0 FGADHM C[C@H](C[C@H]1CCCCCN1C(=O)[O-])NCc1nccn1CC(F)(F)F ZINC000824759121 605496495 /nfs/dbraw/zinc/49/64/95/605496495.db2.gz IJFINKXBWFRPCW-CHWSQXEVSA-N -1 3 362.396 3.236 20 0 FGADHM O=C([O-])N1CC[C@@]2(C1)C[C@@H](NC[C@@H](O)c1ccsc1)c1ccccc1O2 ZINC000834085675 605640396 /nfs/dbraw/zinc/64/03/96/605640396.db2.gz MONQLMXMFCCSMD-MDZRGWNJSA-N -1 3 374.462 3.017 20 0 FGADHM C[C@H](NC(=O)[O-])[C@@H]1CCCN(C[C@H]2CC(c3ccc(Cl)cc3)=NO2)C1 ZINC000833815874 605651024 /nfs/dbraw/zinc/65/10/24/605651024.db2.gz XNIFUFDJIWCWHH-JGGQBBKZSA-N -1 3 365.861 3.201 20 0 FGADHM CCc1ccc(NC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1F ZINC000825712168 607768709 /nfs/dbraw/zinc/76/87/09/607768709.db2.gz LLYSTSKDWRCIAE-LLVKDONJSA-N -1 3 354.389 3.451 20 0 FGADHM CCc1ccc(NC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1F ZINC000825712168 607768710 /nfs/dbraw/zinc/76/87/10/607768710.db2.gz LLYSTSKDWRCIAE-LLVKDONJSA-N -1 3 354.389 3.451 20 0 FGADHM C[C@H](C(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)c1ccco1 ZINC000824051715 607770316 /nfs/dbraw/zinc/77/03/16/607770316.db2.gz CMNAFLAZXLDXCS-JTQLQIEISA-N -1 3 366.406 3.325 20 0 FGADHM C[C@H](C(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)c1ccco1 ZINC000824051715 607770317 /nfs/dbraw/zinc/77/03/17/607770317.db2.gz CMNAFLAZXLDXCS-JTQLQIEISA-N -1 3 366.406 3.325 20 0 FGADHM O=C([O-])N[C@@H]1C[C@@H](NCc2ccccc2Cn2cccn2)c2ccccc21 ZINC000834159687 605790226 /nfs/dbraw/zinc/79/02/26/605790226.db2.gz VYDGJGCYLSDAHD-WOJBJXKFSA-N -1 3 362.433 3.475 20 0 FGADHM Cc1ccc([C@@H](CNC(=O)c2ccc(NC(=O)[O-])c(C)c2)N(C)C)cc1 ZINC000830262437 605894070 /nfs/dbraw/zinc/89/40/70/605894070.db2.gz QFQXVUBEEWUZEQ-GOSISDBHSA-N -1 3 355.438 3.426 20 0 FGADHM CCSCC[C@H](C)N(C)c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000821457173 606039983 /nfs/dbraw/zinc/03/99/83/606039983.db2.gz VBPLYGOWEJJZCZ-VIFPVBQESA-N -1 3 360.409 3.248 20 0 FGADHM CCSCC[C@H](C)N(C)c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000821457173 606039987 /nfs/dbraw/zinc/03/99/87/606039987.db2.gz VBPLYGOWEJJZCZ-VIFPVBQESA-N -1 3 360.409 3.248 20 0 FGADHM c1ccc(-c2ccccc2OCCNc2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000823767467 606060191 /nfs/dbraw/zinc/06/01/91/606060191.db2.gz RVHJRRIZJHEZPC-UHFFFAOYSA-N -1 3 358.405 3.420 20 0 FGADHM c1ccc(-c2ccccc2OCCNc2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000823767467 606060198 /nfs/dbraw/zinc/06/01/98/606060198.db2.gz RVHJRRIZJHEZPC-UHFFFAOYSA-N -1 3 358.405 3.420 20 0 FGADHM COc1ccc2oc([C@H](C)Nc3ccc(-c4nnn[n-]4)nc3)c(C)c2c1 ZINC000821854592 606079099 /nfs/dbraw/zinc/07/90/99/606079099.db2.gz OOZYFGARSYSBEP-NSHDSACASA-N -1 3 350.382 3.498 20 0 FGADHM COc1ccc2oc([C@H](C)Nc3ccc(-c4nn[n-]n4)nc3)c(C)c2c1 ZINC000821854592 606079105 /nfs/dbraw/zinc/07/91/05/606079105.db2.gz OOZYFGARSYSBEP-NSHDSACASA-N -1 3 350.382 3.498 20 0 FGADHM C[C@H]1[C@H](Cc2ccccc2)CCN1C(=O)c1sccc1-c1nnn[n-]1 ZINC000820642444 606104234 /nfs/dbraw/zinc/10/42/34/606104234.db2.gz IHVMGUOHLNHXEQ-JSGCOSHPSA-N -1 3 353.451 3.022 20 0 FGADHM C[C@H]1[C@H](Cc2ccccc2)CCN1C(=O)c1sccc1-c1nn[n-]n1 ZINC000820642444 606104236 /nfs/dbraw/zinc/10/42/36/606104236.db2.gz IHVMGUOHLNHXEQ-JSGCOSHPSA-N -1 3 353.451 3.022 20 0 FGADHM CSCc1cc(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)ccc1F ZINC000821971211 606110490 /nfs/dbraw/zinc/11/04/90/606110490.db2.gz YTLQDFWLQPZJMU-NSHDSACASA-N -1 3 371.441 3.360 20 0 FGADHM CSCc1cc(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)ccc1F ZINC000821971211 606110492 /nfs/dbraw/zinc/11/04/92/606110492.db2.gz YTLQDFWLQPZJMU-NSHDSACASA-N -1 3 371.441 3.360 20 0 FGADHM O=C(CSCc1cccc(F)c1F)Nc1cccc(-c2nnn[n-]2)c1 ZINC000823060768 606131386 /nfs/dbraw/zinc/13/13/86/606131386.db2.gz LCAJYESXAZTUNV-UHFFFAOYSA-N -1 3 361.377 3.017 20 0 FGADHM O=C(CSCc1cccc(F)c1F)Nc1cccc(-c2nn[n-]n2)c1 ZINC000823060768 606131387 /nfs/dbraw/zinc/13/13/87/606131387.db2.gz LCAJYESXAZTUNV-UHFFFAOYSA-N -1 3 361.377 3.017 20 0 FGADHM COc1ccc(CNc2ccc(N(C)C(C)C)c(F)c2)cc1-c1nnn[n-]1 ZINC000821821712 606133094 /nfs/dbraw/zinc/13/30/94/606133094.db2.gz SGELDUFLOUFUTG-UHFFFAOYSA-N -1 3 370.432 3.471 20 0 FGADHM COc1ccc(CNc2ccc(N(C)C(C)C)c(F)c2)cc1-c1nn[n-]n1 ZINC000821821712 606133095 /nfs/dbraw/zinc/13/30/95/606133095.db2.gz SGELDUFLOUFUTG-UHFFFAOYSA-N -1 3 370.432 3.471 20 0 FGADHM C[C@H]1[C@H](Cc2ccccc2)CCN1c1ncc(-c2nnn[n-]2)cc1Cl ZINC000820641512 606138779 /nfs/dbraw/zinc/13/87/79/606138779.db2.gz CWSMSTLPJWCTIJ-JSGCOSHPSA-N -1 3 354.845 3.373 20 0 FGADHM C[C@H]1[C@H](Cc2ccccc2)CCN1c1ncc(-c2nn[n-]n2)cc1Cl ZINC000820641512 606138781 /nfs/dbraw/zinc/13/87/81/606138781.db2.gz CWSMSTLPJWCTIJ-JSGCOSHPSA-N -1 3 354.845 3.373 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N[C@H]1CCCc2[nH]ccc21 ZINC000823308734 606151075 /nfs/dbraw/zinc/15/10/75/606151075.db2.gz IVHFNROIJNEMCV-AWEZNQCLSA-N -1 3 357.805 3.047 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N[C@H]1CCCc2[nH]ccc21 ZINC000823308734 606151077 /nfs/dbraw/zinc/15/10/77/606151077.db2.gz IVHFNROIJNEMCV-AWEZNQCLSA-N -1 3 357.805 3.047 20 0 FGADHM CO[C@H](C)c1nc(CN(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)cs1 ZINC000821675975 606160402 /nfs/dbraw/zinc/16/04/02/606160402.db2.gz YFMZWKXPCIDVPX-CYBMUJFWSA-N -1 3 372.498 3.441 20 0 FGADHM CO[C@H](C)c1nc(CN(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)cs1 ZINC000821675975 606160403 /nfs/dbraw/zinc/16/04/03/606160403.db2.gz YFMZWKXPCIDVPX-CYBMUJFWSA-N -1 3 372.498 3.441 20 0 FGADHM Cc1ncoc1C(=O)N(Cc1ccccc1)c1ccccc1-c1nnn[n-]1 ZINC000822481918 606174991 /nfs/dbraw/zinc/17/49/91/606174991.db2.gz HDUMIUZQKWDFII-UHFFFAOYSA-N -1 3 360.377 3.010 20 0 FGADHM Cc1ncoc1C(=O)N(Cc1ccccc1)c1ccccc1-c1nn[n-]n1 ZINC000822481918 606174992 /nfs/dbraw/zinc/17/49/92/606174992.db2.gz HDUMIUZQKWDFII-UHFFFAOYSA-N -1 3 360.377 3.010 20 0 FGADHM O=C1OC(c2ccc(-c3nnn[n-]3)cc2)=NC1=Cc1ccccc1C1CC1 ZINC000823547600 606183891 /nfs/dbraw/zinc/18/38/91/606183891.db2.gz LCDGFUFJMDFRSF-BOPFTXTBSA-N -1 3 357.373 3.089 20 0 FGADHM O=C1OC(c2ccc(-c3nn[n-]n3)cc2)=NC1=Cc1ccccc1C1CC1 ZINC000823547600 606183892 /nfs/dbraw/zinc/18/38/92/606183892.db2.gz LCDGFUFJMDFRSF-BOPFTXTBSA-N -1 3 357.373 3.089 20 0 FGADHM Cc1ncoc1C(=O)OCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000822482494 606192885 /nfs/dbraw/zinc/19/28/85/606192885.db2.gz SHOFILPOBNBWGS-UHFFFAOYSA-N -1 3 361.361 3.187 20 0 FGADHM Cc1ncoc1C(=O)OCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000822482494 606192887 /nfs/dbraw/zinc/19/28/87/606192887.db2.gz SHOFILPOBNBWGS-UHFFFAOYSA-N -1 3 361.361 3.187 20 0 FGADHM Cc1nc(-c2ccccc2)oc1C(=O)OCc1cccc(-c2nnn[n-]2)c1 ZINC000822419637 606193237 /nfs/dbraw/zinc/19/32/37/606193237.db2.gz RSQMVRKJYOVXAA-UHFFFAOYSA-N -1 3 361.361 3.187 20 0 FGADHM Cc1nc(-c2ccccc2)oc1C(=O)OCc1cccc(-c2nn[n-]n2)c1 ZINC000822419637 606193238 /nfs/dbraw/zinc/19/32/38/606193238.db2.gz RSQMVRKJYOVXAA-UHFFFAOYSA-N -1 3 361.361 3.187 20 0 FGADHM Cc1cccc(N(Cc2ccccc2)C(=O)c2cc(-c3nnn[n-]3)cn2C)c1 ZINC000822309412 606213819 /nfs/dbraw/zinc/21/38/19/606213819.db2.gz XUCGAMOYFSHNGJ-UHFFFAOYSA-N -1 3 372.432 3.361 20 0 FGADHM Cc1cccc(N(Cc2ccccc2)C(=O)c2cc(-c3nn[n-]n3)cn2C)c1 ZINC000822309412 606213821 /nfs/dbraw/zinc/21/38/21/606213821.db2.gz XUCGAMOYFSHNGJ-UHFFFAOYSA-N -1 3 372.432 3.361 20 0 FGADHM Cn1c(CCCNc2c(Cl)cccc2-c2nnn[n-]2)nc2ccccc21 ZINC000822596431 606223445 /nfs/dbraw/zinc/22/34/45/606223445.db2.gz JINJGVFAENRBKD-UHFFFAOYSA-N -1 3 367.844 3.452 20 0 FGADHM Cn1c(CCCNc2c(Cl)cccc2-c2nn[n-]n2)nc2ccccc21 ZINC000822596431 606223446 /nfs/dbraw/zinc/22/34/46/606223446.db2.gz JINJGVFAENRBKD-UHFFFAOYSA-N -1 3 367.844 3.452 20 0 FGADHM O=C(Nc1sc(-c2ccccc2)cc1-c1nnn[n-]1)C1CCC(=O)CC1 ZINC000823525908 606231523 /nfs/dbraw/zinc/23/15/23/606231523.db2.gz VPONMSGQRWORAH-UHFFFAOYSA-N -1 3 367.434 3.293 20 0 FGADHM O=C(Nc1sc(-c2ccccc2)cc1-c1nn[n-]n1)C1CCC(=O)CC1 ZINC000823525908 606231525 /nfs/dbraw/zinc/23/15/25/606231525.db2.gz VPONMSGQRWORAH-UHFFFAOYSA-N -1 3 367.434 3.293 20 0 FGADHM C[C@]1(CNc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)CCCC[C@H]1O ZINC000820622987 606242716 /nfs/dbraw/zinc/24/27/16/606242716.db2.gz ATTVOZRAYIIJTA-UKRRQHHQSA-N -1 3 355.364 3.239 20 0 FGADHM COc1cc2ccccc2cc1C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000821728062 606263384 /nfs/dbraw/zinc/26/33/84/606263384.db2.gz RHWZNKRSAIXNPL-UHFFFAOYSA-N -1 3 363.352 3.420 20 0 FGADHM COc1cc2ccccc2cc1C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000821728062 606263386 /nfs/dbraw/zinc/26/33/86/606263386.db2.gz RHWZNKRSAIXNPL-UHFFFAOYSA-N -1 3 363.352 3.420 20 0 FGADHM COc1ccc([C@H](C)CC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000821778259 606264760 /nfs/dbraw/zinc/26/47/60/606264760.db2.gz XJRXPVWUKBANQW-LLVKDONJSA-N -1 3 355.373 3.147 20 0 FGADHM COc1ccc([C@H](C)CC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000821778259 606264761 /nfs/dbraw/zinc/26/47/61/606264761.db2.gz XJRXPVWUKBANQW-LLVKDONJSA-N -1 3 355.373 3.147 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000823337435 606267559 /nfs/dbraw/zinc/26/75/59/606267559.db2.gz LWVAOCCEGYJDGY-PWSUYJOCSA-N -1 3 359.311 3.026 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000823337435 606267562 /nfs/dbraw/zinc/26/75/62/606267562.db2.gz LWVAOCCEGYJDGY-PWSUYJOCSA-N -1 3 359.311 3.026 20 0 FGADHM O=C(Nc1c(-c2ccco2)nc2ccccn21)c1cccc(-c2nnn[n-]2)c1 ZINC000823289151 606274774 /nfs/dbraw/zinc/27/47/74/606274774.db2.gz CXBPVNBBXOALGC-UHFFFAOYSA-N -1 3 371.360 3.027 20 0 FGADHM O=C(Nc1c(-c2ccco2)nc2ccccn21)c1cccc(-c2nn[n-]n2)c1 ZINC000823289151 606274775 /nfs/dbraw/zinc/27/47/75/606274775.db2.gz CXBPVNBBXOALGC-UHFFFAOYSA-N -1 3 371.360 3.027 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(C)n(CC)c1C ZINC000821123184 606282054 /nfs/dbraw/zinc/28/20/54/606282054.db2.gz MEAVYSLYWAENGE-UHFFFAOYSA-N -1 3 367.457 3.379 20 0 FGADHM C/C=C(\C)C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000820827816 606286157 /nfs/dbraw/zinc/28/61/57/606286157.db2.gz YGXFIIXWVJNCGK-KGVSQERTSA-N -1 3 367.384 3.490 20 0 FGADHM C/C=C(\C)C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000820827816 606286159 /nfs/dbraw/zinc/28/61/59/606286159.db2.gz YGXFIIXWVJNCGK-KGVSQERTSA-N -1 3 367.384 3.490 20 0 FGADHM C[C@@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)N1CCCc2ccccc21 ZINC000820556938 606328561 /nfs/dbraw/zinc/32/85/61/606328561.db2.gz WNTDXSFRBMORJY-CYBMUJFWSA-N -1 3 365.462 3.327 20 0 FGADHM C[C@@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)N1CCCc2ccccc21 ZINC000820556938 606328563 /nfs/dbraw/zinc/32/85/63/606328563.db2.gz WNTDXSFRBMORJY-CYBMUJFWSA-N -1 3 365.462 3.327 20 0 FGADHM c1[nH]c(-c2nc(-c3cccnc3Oc3ccccc3)no2)cc1-c1nnn[n-]1 ZINC000823791640 606328871 /nfs/dbraw/zinc/32/88/71/606328871.db2.gz GSJUOJDJUXLXNQ-UHFFFAOYSA-N -1 3 372.348 3.099 20 0 FGADHM c1[nH]c(-c2nc(-c3cccnc3Oc3ccccc3)no2)cc1-c1nn[n-]n1 ZINC000823791640 606328874 /nfs/dbraw/zinc/32/88/74/606328874.db2.gz GSJUOJDJUXLXNQ-UHFFFAOYSA-N -1 3 372.348 3.099 20 0 FGADHM Cc1csc(C2(NC(=O)Nc3cc(-c4nnn[n-]4)ccc3C)CCC2)n1 ZINC000822408616 606345186 /nfs/dbraw/zinc/34/51/86/606345186.db2.gz FWDDHNXWLUQKBG-UHFFFAOYSA-N -1 3 369.454 3.141 20 0 FGADHM Cc1csc(C2(NC(=O)Nc3cc(-c4nn[n-]n4)ccc3C)CCC2)n1 ZINC000822408616 606345188 /nfs/dbraw/zinc/34/51/88/606345188.db2.gz FWDDHNXWLUQKBG-UHFFFAOYSA-N -1 3 369.454 3.141 20 0 FGADHM C[C@H](OC(=O)[C@@H]1CSc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000820487820 606345905 /nfs/dbraw/zinc/34/59/05/606345905.db2.gz JKVZGNCOGRLCHK-XHDPSFHLSA-N -1 3 352.419 3.360 20 0 FGADHM C[C@H](OC(=O)[C@@H]1CSc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000820487820 606345907 /nfs/dbraw/zinc/34/59/07/606345907.db2.gz JKVZGNCOGRLCHK-XHDPSFHLSA-N -1 3 352.419 3.360 20 0 FGADHM C[C@@H](CCNC(=O)Nc1ccc(F)cc1-c1nnn[n-]1)c1ccccc1 ZINC000820241138 606350307 /nfs/dbraw/zinc/35/03/07/606350307.db2.gz DVFLYQKPQWPILK-LBPRGKRZSA-N -1 3 354.389 3.321 20 0 FGADHM C[C@@H](CCNC(=O)Nc1ccc(F)cc1-c1nn[n-]n1)c1ccccc1 ZINC000820241138 606350308 /nfs/dbraw/zinc/35/03/08/606350308.db2.gz DVFLYQKPQWPILK-LBPRGKRZSA-N -1 3 354.389 3.321 20 0 FGADHM C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820643748 606351902 /nfs/dbraw/zinc/35/19/02/606351902.db2.gz YRMFYVGFSLUCAE-IUODEOHRSA-N -1 3 366.400 3.416 20 0 FGADHM C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820643748 606351904 /nfs/dbraw/zinc/35/19/04/606351904.db2.gz YRMFYVGFSLUCAE-IUODEOHRSA-N -1 3 366.400 3.416 20 0 FGADHM C[C@@H](Cc1ccc(F)cc1)C(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820294558 606352528 /nfs/dbraw/zinc/35/25/28/606352528.db2.gz UOPMYAATUGGMHF-STQMWFEESA-N -1 3 354.385 3.489 20 0 FGADHM C[C@@H](Cc1ccc(F)cc1)C(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820294558 606352530 /nfs/dbraw/zinc/35/25/30/606352530.db2.gz UOPMYAATUGGMHF-STQMWFEESA-N -1 3 354.385 3.489 20 0 FGADHM C[C@@H](OC(=O)Cc1csc(C(C)(C)C)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820502731 606352967 /nfs/dbraw/zinc/35/29/67/606352967.db2.gz VDYWTYRRECGVJC-LLVKDONJSA-N -1 3 371.466 3.468 20 0 FGADHM C[C@@H](OC(=O)Cc1csc(C(C)(C)C)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820502731 606352968 /nfs/dbraw/zinc/35/29/68/606352968.db2.gz VDYWTYRRECGVJC-LLVKDONJSA-N -1 3 371.466 3.468 20 0 FGADHM Cc1c(C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cnn1-c1ccccc1 ZINC000822021000 606353252 /nfs/dbraw/zinc/35/32/52/606353252.db2.gz QZICBOJBMBJBRW-AWEZNQCLSA-N -1 3 374.404 3.279 20 0 FGADHM Cc1c(C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cnn1-c1ccccc1 ZINC000822021000 606353255 /nfs/dbraw/zinc/35/32/55/606353255.db2.gz QZICBOJBMBJBRW-AWEZNQCLSA-N -1 3 374.404 3.279 20 0 FGADHM CCC[C@H](NC(=O)Nc1ccc(F)cc1-c1nnn[n-]1)c1ccccn1 ZINC000821023309 606355553 /nfs/dbraw/zinc/35/55/53/606355553.db2.gz XMWQJLAKAGASHV-HNNXBMFYSA-N -1 3 355.377 3.064 20 0 FGADHM CCC[C@H](NC(=O)Nc1ccc(F)cc1-c1nn[n-]n1)c1ccccn1 ZINC000821023309 606355554 /nfs/dbraw/zinc/35/55/54/606355554.db2.gz XMWQJLAKAGASHV-HNNXBMFYSA-N -1 3 355.377 3.064 20 0 FGADHM CO[C@@](C)(C(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000821672689 606359915 /nfs/dbraw/zinc/35/99/15/606359915.db2.gz URZFKQHQQISGEA-ORAYPTAESA-N -1 3 352.394 3.033 20 0 FGADHM CO[C@@](C)(C(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000821672689 606359916 /nfs/dbraw/zinc/35/99/16/606359916.db2.gz URZFKQHQQISGEA-ORAYPTAESA-N -1 3 352.394 3.033 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)N1CCC(C2CCCC2)CC1 ZINC000823344302 606360264 /nfs/dbraw/zinc/36/02/64/606360264.db2.gz UMNXSCLFIVSQOF-UHFFFAOYSA-N -1 3 358.421 3.440 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)N1CCC(C2CCCC2)CC1 ZINC000823344302 606360266 /nfs/dbraw/zinc/36/02/66/606360266.db2.gz UMNXSCLFIVSQOF-UHFFFAOYSA-N -1 3 358.421 3.440 20 0 FGADHM CC[C@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)Oc1ccccc1F ZINC000820908880 606402054 /nfs/dbraw/zinc/40/20/54/606402054.db2.gz QQFIJPOCCQPKNU-LLVKDONJSA-N -1 3 362.796 3.324 20 0 FGADHM CC[C@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)Oc1ccccc1F ZINC000820908880 606402057 /nfs/dbraw/zinc/40/20/57/606402057.db2.gz QQFIJPOCCQPKNU-LLVKDONJSA-N -1 3 362.796 3.324 20 0 FGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N1CCC(c2ccc(F)cc2)CC1 ZINC000823359344 606439497 /nfs/dbraw/zinc/43/94/97/606439497.db2.gz MAXUJCZXZGCYAO-UHFFFAOYSA-N -1 3 366.400 3.417 20 0 FGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N1CCC(c2ccc(F)cc2)CC1 ZINC000823359344 606439498 /nfs/dbraw/zinc/43/94/98/606439498.db2.gz MAXUJCZXZGCYAO-UHFFFAOYSA-N -1 3 366.400 3.417 20 0 FGADHM CC(C)(C)NC(=O)c1ccc(NCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000819921985 606442761 /nfs/dbraw/zinc/44/27/61/606442761.db2.gz CXONXBFNLLFZFO-UHFFFAOYSA-N -1 3 368.416 3.146 20 0 FGADHM CC(C)(C)NC(=O)c1ccc(NCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000819921985 606442762 /nfs/dbraw/zinc/44/27/62/606442762.db2.gz CXONXBFNLLFZFO-UHFFFAOYSA-N -1 3 368.416 3.146 20 0 FGADHM Cc1cc(C)c(CNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c(=O)[nH]1 ZINC000822194326 606443915 /nfs/dbraw/zinc/44/39/15/606443915.db2.gz RYTDQHNEWUHOJD-UHFFFAOYSA-N -1 3 364.331 3.215 20 0 FGADHM Cc1cc(C)c(CNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c(=O)[nH]1 ZINC000822194326 606443916 /nfs/dbraw/zinc/44/39/16/606443916.db2.gz RYTDQHNEWUHOJD-UHFFFAOYSA-N -1 3 364.331 3.215 20 0 FGADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1nnc2ccccn21 ZINC000820456530 606448425 /nfs/dbraw/zinc/44/84/25/606448425.db2.gz UYQDLNDMENUSAO-SECBINFHSA-N -1 3 374.330 3.101 20 0 FGADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1nnc2ccccn21 ZINC000820456530 606448427 /nfs/dbraw/zinc/44/84/27/606448427.db2.gz UYQDLNDMENUSAO-SECBINFHSA-N -1 3 374.330 3.101 20 0 FGADHM O=C(OCCCOc1ccccc1Cl)c1cc(-c2nnn[n-]2)cs1 ZINC000823404620 606463811 /nfs/dbraw/zinc/46/38/11/606463811.db2.gz CIKMDIPXWHNCLX-UHFFFAOYSA-N -1 3 364.814 3.208 20 0 FGADHM O=C(OCCCOc1ccccc1Cl)c1cc(-c2nn[n-]n2)cs1 ZINC000823404620 606463812 /nfs/dbraw/zinc/46/38/12/606463812.db2.gz CIKMDIPXWHNCLX-UHFFFAOYSA-N -1 3 364.814 3.208 20 0 FGADHM CCO[C@@H]1C[C@@H](OC(=O)c2cc(-c3nnn[n-]3)cs2)C12CCCCC2 ZINC000821367207 606466892 /nfs/dbraw/zinc/46/68/92/606466892.db2.gz COSQXLSMJGBXFD-ZIAGYGMSSA-N -1 3 362.455 3.213 20 0 FGADHM CCO[C@@H]1C[C@@H](OC(=O)c2cc(-c3nn[n-]n3)cs2)C12CCCCC2 ZINC000821367207 606466893 /nfs/dbraw/zinc/46/68/93/606466893.db2.gz COSQXLSMJGBXFD-ZIAGYGMSSA-N -1 3 362.455 3.213 20 0 FGADHM Cn1cccc1[C@H]1CCCN1Cc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000822694119 606480537 /nfs/dbraw/zinc/48/05/37/606480537.db2.gz VXCOKPIVONGVQM-OAHLLOKOSA-N -1 3 374.395 3.144 20 0 FGADHM CC(C)N(Cc1ccccn1)Cc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000820121627 606483257 /nfs/dbraw/zinc/48/32/57/606483257.db2.gz SMVZZQNCNPMFBG-UHFFFAOYSA-N -1 3 374.395 3.274 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C1(Cc2ccccc2)CC1 ZINC000821399819 606497415 /nfs/dbraw/zinc/49/74/15/606497415.db2.gz BXSFWAHCXOWVDB-UHFFFAOYSA-N -1 3 363.421 3.227 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C1(Cc2ccccc2)CC1 ZINC000821399819 606497417 /nfs/dbraw/zinc/49/74/17/606497417.db2.gz BXSFWAHCXOWVDB-UHFFFAOYSA-N -1 3 363.421 3.227 20 0 FGADHM O=C(Nc1cccc(COCC2CC2)c1)c1cc(-c2nnn[n-]2)cs1 ZINC000823363573 606499450 /nfs/dbraw/zinc/49/94/50/606499450.db2.gz GPWMMHRNTMDQQR-UHFFFAOYSA-N -1 3 355.423 3.107 20 0 FGADHM O=C(Nc1cccc(COCC2CC2)c1)c1cc(-c2nn[n-]n2)cs1 ZINC000823363573 606499452 /nfs/dbraw/zinc/49/94/52/606499452.db2.gz GPWMMHRNTMDQQR-UHFFFAOYSA-N -1 3 355.423 3.107 20 0 FGADHM O=C(c1cc(-c2nnn[n-]2)cs1)N(Cc1ccoc1)C1CCCCC1 ZINC000823465956 606516813 /nfs/dbraw/zinc/51/68/13/606516813.db2.gz CPPHNWGIUADSGW-UHFFFAOYSA-N -1 3 357.439 3.496 20 0 FGADHM O=C(c1cc(-c2nn[n-]n2)cs1)N(Cc1ccoc1)C1CCCCC1 ZINC000823465956 606516815 /nfs/dbraw/zinc/51/68/15/606516815.db2.gz CPPHNWGIUADSGW-UHFFFAOYSA-N -1 3 357.439 3.496 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)C/C=C/c1cccc(F)c1 ZINC000821699104 606519802 /nfs/dbraw/zinc/51/98/02/606519802.db2.gz BUILAOPAEWGMGP-HWKANZROSA-N -1 3 354.341 3.023 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)C/C=C/c1cccc(F)c1 ZINC000821699104 606519804 /nfs/dbraw/zinc/51/98/04/606519804.db2.gz BUILAOPAEWGMGP-HWKANZROSA-N -1 3 354.341 3.023 20 0 FGADHM CCC(CC)(CNC(=O)c1cc(-c2nnn[n-]2)cs1)c1ccccc1 ZINC000820887728 606520499 /nfs/dbraw/zinc/52/04/99/606520499.db2.gz OCPPODDSHNGDPX-UHFFFAOYSA-N -1 3 355.467 3.416 20 0 FGADHM CCC(CC)(CNC(=O)c1cc(-c2nn[n-]n2)cs1)c1ccccc1 ZINC000820887728 606520501 /nfs/dbraw/zinc/52/05/01/606520501.db2.gz OCPPODDSHNGDPX-UHFFFAOYSA-N -1 3 355.467 3.416 20 0 FGADHM CC(C)C[C@H](NC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1cccs1 ZINC000820055855 606528917 /nfs/dbraw/zinc/52/89/17/606528917.db2.gz KULNYDKXZNRWLU-HNNXBMFYSA-N -1 3 355.467 3.374 20 0 FGADHM CC(C)C[C@H](NC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1cccs1 ZINC000820055855 606528918 /nfs/dbraw/zinc/52/89/18/606528918.db2.gz KULNYDKXZNRWLU-HNNXBMFYSA-N -1 3 355.467 3.374 20 0 FGADHM CCC1(NC(=O)c2ccc(COc3ccccc3-c3nnn[n-]3)o2)CCC1 ZINC000820967880 606529127 /nfs/dbraw/zinc/52/91/27/606529127.db2.gz XUKFIDWDOXMQPZ-UHFFFAOYSA-N -1 3 367.409 3.101 20 0 FGADHM CCC1(NC(=O)c2ccc(COc3ccccc3-c3nn[n-]n3)o2)CCC1 ZINC000820967880 606529128 /nfs/dbraw/zinc/52/91/28/606529128.db2.gz XUKFIDWDOXMQPZ-UHFFFAOYSA-N -1 3 367.409 3.101 20 0 FGADHM Cc1ccc(OCCCOC(=O)c2cc(-c3nnn[n-]3)cs2)cc1C ZINC000822263574 606564025 /nfs/dbraw/zinc/56/40/25/606564025.db2.gz UHBANDYGBXVALH-UHFFFAOYSA-N -1 3 358.423 3.171 20 0 FGADHM Cc1ccc(OCCCOC(=O)c2cc(-c3nn[n-]n3)cs2)cc1C ZINC000822263574 606564026 /nfs/dbraw/zinc/56/40/26/606564026.db2.gz UHBANDYGBXVALH-UHFFFAOYSA-N -1 3 358.423 3.171 20 0 FGADHM C[C@H]1CCN(C(=O)Cc2cccc(-c3nnn[n-]3)c2)[C@@H](c2ccco2)C1 ZINC000820717414 606579130 /nfs/dbraw/zinc/57/91/30/606579130.db2.gz QOZKYFAXVNJKMH-XJKSGUPXSA-N -1 3 351.410 3.002 20 0 FGADHM C[C@H]1CCN(C(=O)Cc2cccc(-c3nn[n-]n3)c2)[C@@H](c2ccco2)C1 ZINC000820717414 606579131 /nfs/dbraw/zinc/57/91/31/606579131.db2.gz QOZKYFAXVNJKMH-XJKSGUPXSA-N -1 3 351.410 3.002 20 0 FGADHM CN(C)C(=O)Sc1ccc(COc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821577867 606589071 /nfs/dbraw/zinc/58/90/71/606589071.db2.gz AMRNJTQDDYMTQA-UHFFFAOYSA-N -1 3 355.423 3.219 20 0 FGADHM CN(C)C(=O)Sc1ccc(COc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821577867 606589073 /nfs/dbraw/zinc/58/90/73/606589073.db2.gz AMRNJTQDDYMTQA-UHFFFAOYSA-N -1 3 355.423 3.219 20 0 FGADHM Cc1nnc(NC[C@H]2CCC[C@@H](C(F)(F)F)C2)c(-c2nnn[n-]2)c1C ZINC000822516363 606594620 /nfs/dbraw/zinc/59/46/20/606594620.db2.gz XBIJOOHDAWYAIK-WDEREUQCSA-N -1 3 355.368 3.054 20 0 FGADHM Cc1nnc(NC[C@H]2CCC[C@@H](C(F)(F)F)C2)c(-c2nn[n-]n2)c1C ZINC000822516363 606594621 /nfs/dbraw/zinc/59/46/21/606594621.db2.gz XBIJOOHDAWYAIK-WDEREUQCSA-N -1 3 355.368 3.054 20 0 FGADHM C[C@@H]1CC(=O)c2c1c(F)ccc2OCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000820641378 606606328 /nfs/dbraw/zinc/60/63/28/606606328.db2.gz BZLYHQQBBWOIDN-LLVKDONJSA-N -1 3 368.368 3.154 20 0 FGADHM Cc1noc(C2CCC(Nc3cc(Cl)ccc3-c3nnn[n-]3)CC2)n1 ZINC000822527826 606609532 /nfs/dbraw/zinc/60/95/32/606609532.db2.gz GGHFQKLXZSMAOX-UHFFFAOYSA-N -1 3 359.821 3.350 20 0 FGADHM Cc1noc(C2CCC(Nc3cc(Cl)ccc3-c3nn[n-]n3)CC2)n1 ZINC000822527826 606609533 /nfs/dbraw/zinc/60/95/33/606609533.db2.gz GGHFQKLXZSMAOX-UHFFFAOYSA-N -1 3 359.821 3.350 20 0 FGADHM COc1cccc([C@H](C)CC(=O)OCc2ccccc2-c2nnn[n-]2)c1 ZINC000821859252 606613061 /nfs/dbraw/zinc/61/30/61/606613061.db2.gz MZJNUQNDLFXTIB-CYBMUJFWSA-N -1 3 352.394 3.112 20 0 FGADHM COc1cccc([C@H](C)CC(=O)OCc2ccccc2-c2nn[n-]n2)c1 ZINC000821859252 606613062 /nfs/dbraw/zinc/61/30/62/606613062.db2.gz MZJNUQNDLFXTIB-CYBMUJFWSA-N -1 3 352.394 3.112 20 0 FGADHM COc1ccc([C@@H](C)CC(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821777674 606626387 /nfs/dbraw/zinc/62/63/87/606626387.db2.gz KVOBFXIQVXRLSY-AWEZNQCLSA-N -1 3 365.437 3.028 20 0 FGADHM COc1ccc([C@@H](C)CC(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821777674 606626388 /nfs/dbraw/zinc/62/63/88/606626388.db2.gz KVOBFXIQVXRLSY-AWEZNQCLSA-N -1 3 365.437 3.028 20 0 FGADHM S=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1C[C@@H]2CCCC[C@H]2C1 ZINC000823732256 606627036 /nfs/dbraw/zinc/62/70/36/606627036.db2.gz JQPNNMIZBALNFU-QWRGUYRKSA-N -1 3 362.890 3.339 20 0 FGADHM S=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1C[C@@H]2CCCC[C@H]2C1 ZINC000823732256 606627037 /nfs/dbraw/zinc/62/70/37/606627037.db2.gz JQPNNMIZBALNFU-QWRGUYRKSA-N -1 3 362.890 3.339 20 0 FGADHM C[C@H](c1ccco1)N(C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000820339842 606657012 /nfs/dbraw/zinc/65/70/12/606657012.db2.gz GWUXUSCPMKBCSI-QWHCGFSZSA-N -1 3 366.425 3.456 20 0 FGADHM C[C@H](c1ccco1)N(C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000820339842 606657013 /nfs/dbraw/zinc/65/70/13/606657013.db2.gz GWUXUSCPMKBCSI-QWHCGFSZSA-N -1 3 366.425 3.456 20 0 FGADHM O=C(OCc1ccc(Cl)cc1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823422645 606664195 /nfs/dbraw/zinc/66/41/95/606664195.db2.gz ZVLYYNLEJRDKHF-UHFFFAOYSA-N -1 3 350.712 3.155 20 0 FGADHM O=C(OCc1ccc(Cl)cc1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823422645 606664196 /nfs/dbraw/zinc/66/41/96/606664196.db2.gz ZVLYYNLEJRDKHF-UHFFFAOYSA-N -1 3 350.712 3.155 20 0 FGADHM O=C(c1c(F)cc(-c2nnn[n-]2)cc1F)N1CCC(c2ccccc2)CC1 ZINC000823453940 606665884 /nfs/dbraw/zinc/66/58/84/606665884.db2.gz FXVHWFCIRXWKGK-UHFFFAOYSA-N -1 3 369.375 3.165 20 0 FGADHM O=C(c1c(F)cc(-c2nn[n-]n2)cc1F)N1CCC(c2ccccc2)CC1 ZINC000823453940 606665885 /nfs/dbraw/zinc/66/58/85/606665885.db2.gz FXVHWFCIRXWKGK-UHFFFAOYSA-N -1 3 369.375 3.165 20 0 FGADHM CC(C)CN(C(=O)Cc1ccc(F)cc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000820081864 606670245 /nfs/dbraw/zinc/67/02/45/606670245.db2.gz YYPYRUZGULLVKR-UHFFFAOYSA-N -1 3 371.391 3.377 20 0 FGADHM CC(C)CN(C(=O)Cc1ccc(F)cc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000820081864 606670246 /nfs/dbraw/zinc/67/02/46/606670246.db2.gz YYPYRUZGULLVKR-UHFFFAOYSA-N -1 3 371.391 3.377 20 0 FGADHM CCC1(C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)cc2)COC1 ZINC000820944048 606672652 /nfs/dbraw/zinc/67/26/52/606672652.db2.gz HCOLQQOUYOQWMD-UHFFFAOYSA-N -1 3 365.393 3.024 20 0 FGADHM CCC1(C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)cc2)COC1 ZINC000820944048 606672653 /nfs/dbraw/zinc/67/26/53/606672653.db2.gz HCOLQQOUYOQWMD-UHFFFAOYSA-N -1 3 365.393 3.024 20 0 FGADHM Cc1ccccc1[C@H]1CCN(C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)C1 ZINC000822352137 606676455 /nfs/dbraw/zinc/67/64/55/606676455.db2.gz UXQKHZWNKPNMHN-LBPRGKRZSA-N -1 3 369.375 3.083 20 0 FGADHM Cc1ccccc1[C@H]1CCN(C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C1 ZINC000822352137 606676456 /nfs/dbraw/zinc/67/64/56/606676456.db2.gz UXQKHZWNKPNMHN-LBPRGKRZSA-N -1 3 369.375 3.083 20 0 FGADHM CSc1cccc(N(C)C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c1 ZINC000821983355 606676981 /nfs/dbraw/zinc/67/69/81/606676981.db2.gz GYVOLEPTNFFNFD-UHFFFAOYSA-N -1 3 361.377 3.143 20 0 FGADHM CSc1cccc(N(C)C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c1 ZINC000821983355 606676982 /nfs/dbraw/zinc/67/69/82/606676982.db2.gz GYVOLEPTNFFNFD-UHFFFAOYSA-N -1 3 361.377 3.143 20 0 FGADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@@H](C)c1cc(F)cc(F)c1 ZINC000820530206 606686484 /nfs/dbraw/zinc/68/64/84/606686484.db2.gz XVSAULSOSLVVBP-WDEREUQCSA-N -1 3 374.347 3.217 20 0 FGADHM C[C@@H]1CN(C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c2ccccc2S1 ZINC000820742980 606692241 /nfs/dbraw/zinc/69/22/41/606692241.db2.gz OULTWIJMAAQIIA-SECBINFHSA-N -1 3 373.388 3.286 20 0 FGADHM C[C@@H]1CN(C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c2ccccc2S1 ZINC000820742980 606692242 /nfs/dbraw/zinc/69/22/42/606692242.db2.gz OULTWIJMAAQIIA-SECBINFHSA-N -1 3 373.388 3.286 20 0 FGADHM Cc1ccc([C@@H](C)NC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)cc1F ZINC000822229389 606697291 /nfs/dbraw/zinc/69/72/91/606697291.db2.gz TUXQRRHXTONOTH-SNVBAGLBSA-N -1 3 358.352 3.336 20 0 FGADHM Cc1ccc([C@@H](C)NC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)cc1F ZINC000822229389 606697292 /nfs/dbraw/zinc/69/72/92/606697292.db2.gz TUXQRRHXTONOTH-SNVBAGLBSA-N -1 3 358.352 3.336 20 0 FGADHM FC(F)(F)c1cc(N[C@@H]2CCC[C@H]3OCC[C@H]32)ccc1-c1nnn[n-]1 ZINC000822723636 606729865 /nfs/dbraw/zinc/72/98/65/606729865.db2.gz IXERQOSHIHQSLN-IACUBPJLSA-N -1 3 353.348 3.255 20 0 FGADHM FC(F)(F)c1cc(N[C@@H]2CCC[C@H]3OCC[C@H]32)ccc1-c1nn[n-]n1 ZINC000822723636 606729867 /nfs/dbraw/zinc/72/98/67/606729867.db2.gz IXERQOSHIHQSLN-IACUBPJLSA-N -1 3 353.348 3.255 20 0 FGADHM CC[C@@H](O)CN(Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1C ZINC000821460725 606748765 /nfs/dbraw/zinc/74/87/65/606748765.db2.gz BENOBBAHNYXRNX-QGZVFWFLSA-N -1 3 355.417 3.092 20 0 FGADHM CC[C@@H](O)CN(Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1C ZINC000821460725 606748768 /nfs/dbraw/zinc/74/87/68/606748768.db2.gz BENOBBAHNYXRNX-QGZVFWFLSA-N -1 3 355.417 3.092 20 0 FGADHM CC(C)CC1CCN(C(=O)CSCc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000820069290 606753201 /nfs/dbraw/zinc/75/32/01/606753201.db2.gz ZEZINQRDORPNOH-UHFFFAOYSA-N -1 3 373.526 3.385 20 0 FGADHM CC(C)CC1CCN(C(=O)CSCc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000820069290 606753203 /nfs/dbraw/zinc/75/32/03/606753203.db2.gz ZEZINQRDORPNOH-UHFFFAOYSA-N -1 3 373.526 3.385 20 0 FGADHM CCC1(C(=O)NCCSCc2ccccc2-c2nnn[n-]2)CCCC1 ZINC000820943962 606775227 /nfs/dbraw/zinc/77/52/27/606775227.db2.gz FELAIFJFQUYWGB-UHFFFAOYSA-N -1 3 359.499 3.187 20 0 FGADHM CCC1(C(=O)NCCSCc2ccccc2-c2nn[n-]n2)CCCC1 ZINC000820943962 606775230 /nfs/dbraw/zinc/77/52/30/606775230.db2.gz FELAIFJFQUYWGB-UHFFFAOYSA-N -1 3 359.499 3.187 20 0 FGADHM Cc1cc(C)cc(NC(=O)COc2cc(Cl)ccc2-c2nnn[n-]2)c1 ZINC000822196397 606782831 /nfs/dbraw/zinc/78/28/31/606782831.db2.gz HVJJACBKXXOPST-UHFFFAOYSA-N -1 3 357.801 3.154 20 0 FGADHM Cc1cc(C)cc(NC(=O)COc2cc(Cl)ccc2-c2nn[n-]n2)c1 ZINC000822196397 606782833 /nfs/dbraw/zinc/78/28/33/606782833.db2.gz HVJJACBKXXOPST-UHFFFAOYSA-N -1 3 357.801 3.154 20 0 FGADHM CCCN(C)C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000821088403 606789233 /nfs/dbraw/zinc/78/92/33/606789233.db2.gz MJGWIFOIHAGBHH-UHFFFAOYSA-N -1 3 351.410 3.449 20 0 FGADHM CCCN(C)C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000821088403 606789235 /nfs/dbraw/zinc/78/92/35/606789235.db2.gz MJGWIFOIHAGBHH-UHFFFAOYSA-N -1 3 351.410 3.449 20 0 FGADHM CCCC[C@H](NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F)C1CCC1 ZINC000821042450 606794898 /nfs/dbraw/zinc/79/48/98/606794898.db2.gz BAIWBCZVGUDFTH-INIZCTEOSA-N -1 3 360.437 3.164 20 0 FGADHM CCCC[C@H](NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F)C1CCC1 ZINC000821042450 606794899 /nfs/dbraw/zinc/79/48/99/606794899.db2.gz BAIWBCZVGUDFTH-INIZCTEOSA-N -1 3 360.437 3.164 20 0 FGADHM O=C(Oc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1)[C@H]1CCSC1 ZINC000823453996 606802062 /nfs/dbraw/zinc/80/20/62/606802062.db2.gz ICGQSICTYRZKAY-ZDUSSCGKSA-N -1 3 368.418 3.318 20 0 FGADHM O=C(Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)[C@H]1CCSC1 ZINC000823453996 606802064 /nfs/dbraw/zinc/80/20/64/606802064.db2.gz ICGQSICTYRZKAY-ZDUSSCGKSA-N -1 3 368.418 3.318 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H]1COc2ccc(Cl)cc21 ZINC000822217580 606806168 /nfs/dbraw/zinc/80/61/68/606806168.db2.gz IFAPTHYOHYPMLY-AWEZNQCLSA-N -1 3 370.800 3.084 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H]1COc2ccc(Cl)cc21 ZINC000822217580 606806170 /nfs/dbraw/zinc/80/61/70/606806170.db2.gz IFAPTHYOHYPMLY-AWEZNQCLSA-N -1 3 370.800 3.084 20 0 FGADHM CC(C)CN(CC(C)(C)C)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000820081281 606810797 /nfs/dbraw/zinc/81/07/97/606810797.db2.gz ALCISWNGJWLCHD-UHFFFAOYSA-N -1 3 362.453 3.220 20 0 FGADHM CC(C)CN(CC(C)(C)C)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000820081281 606810799 /nfs/dbraw/zinc/81/07/99/606810799.db2.gz ALCISWNGJWLCHD-UHFFFAOYSA-N -1 3 362.453 3.220 20 0 FGADHM CC[C@@H]1CCC[C@H]1NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000820972710 606815730 /nfs/dbraw/zinc/81/57/30/606815730.db2.gz QZBPTRRIXYTMJA-RHSMWYFYSA-N -1 3 357.458 3.111 20 0 FGADHM CC[C@@H]1CCC[C@H]1NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000820972710 606815731 /nfs/dbraw/zinc/81/57/31/606815731.db2.gz QZBPTRRIXYTMJA-RHSMWYFYSA-N -1 3 357.458 3.111 20 0 FGADHM Cc1ccc(NC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)c(C)c1O ZINC000822249024 606833485 /nfs/dbraw/zinc/83/34/85/606833485.db2.gz YQUXOYPHJOGGHM-UHFFFAOYSA-N -1 3 369.450 3.061 20 0 FGADHM Cc1ccc(NC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)c(C)c1O ZINC000822249024 606833487 /nfs/dbraw/zinc/83/34/87/606833487.db2.gz YQUXOYPHJOGGHM-UHFFFAOYSA-N -1 3 369.450 3.061 20 0 FGADHM c1cncc(NCc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)c1 ZINC000823816806 606859397 /nfs/dbraw/zinc/85/93/97/606859397.db2.gz YWNFGWPZOJUJHC-UHFFFAOYSA-N -1 3 358.405 3.453 20 0 FGADHM c1cncc(NCc2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)c1 ZINC000823816806 606859399 /nfs/dbraw/zinc/85/93/99/606859399.db2.gz YWNFGWPZOJUJHC-UHFFFAOYSA-N -1 3 358.405 3.453 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N(C)c1ccc(C(C)C)cc1 ZINC000822145139 606870601 /nfs/dbraw/zinc/87/06/01/606870601.db2.gz OCXORNHFHAXFDU-UHFFFAOYSA-N -1 3 371.466 3.124 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N(C)c1ccc(C(C)C)cc1 ZINC000822145139 606870602 /nfs/dbraw/zinc/87/06/02/606870602.db2.gz OCXORNHFHAXFDU-UHFFFAOYSA-N -1 3 371.466 3.124 20 0 FGADHM Cc1ccc(Br)c(C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)c1 ZINC000822225221 606872460 /nfs/dbraw/zinc/87/24/60/606872460.db2.gz SWJMOEDNFCXQDH-UHFFFAOYSA-N -1 3 372.226 3.498 20 0 FGADHM Cc1ccc(Br)c(C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)c1 ZINC000822225221 606872462 /nfs/dbraw/zinc/87/24/62/606872462.db2.gz SWJMOEDNFCXQDH-UHFFFAOYSA-N -1 3 372.226 3.498 20 0 FGADHM CC(C)C[C@H]1CCCCN1C(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000820062440 606880520 /nfs/dbraw/zinc/88/05/20/606880520.db2.gz MCRYOZNMTLGYJW-HUUCEWRRSA-N -1 3 357.458 3.061 20 0 FGADHM CC(C)C[C@H]1CCCCN1C(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000820062440 606880522 /nfs/dbraw/zinc/88/05/22/606880522.db2.gz MCRYOZNMTLGYJW-HUUCEWRRSA-N -1 3 357.458 3.061 20 0 FGADHM CC(C)(C)OCCCOC(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000819949870 606900238 /nfs/dbraw/zinc/90/02/38/606900238.db2.gz AMGGIHZJAFOZAU-UHFFFAOYSA-N -1 3 372.347 3.248 20 0 FGADHM CC(C)(C)OCCCOC(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000819949870 606900239 /nfs/dbraw/zinc/90/02/39/606900239.db2.gz AMGGIHZJAFOZAU-UHFFFAOYSA-N -1 3 372.347 3.248 20 0 FGADHM CCC[C@@H]1CCCN(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OCC)C1 ZINC000821041029 606905928 /nfs/dbraw/zinc/90/59/28/606905928.db2.gz XWIPTDFZMCJAIL-CYBMUJFWSA-N -1 3 358.446 3.309 20 0 FGADHM CCC[C@@H]1CCCN(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OCC)C1 ZINC000821041029 606905929 /nfs/dbraw/zinc/90/59/29/606905929.db2.gz XWIPTDFZMCJAIL-CYBMUJFWSA-N -1 3 358.446 3.309 20 0 FGADHM CCc1nnc(N2CCC[C@H]2c2cccs2)c(-c2nnn[n-]2)c1CC ZINC000821523270 606909167 /nfs/dbraw/zinc/90/91/67/606909167.db2.gz SZKHGURCFACJJP-ZDUSSCGKSA-N -1 3 355.471 3.185 20 0 FGADHM CCc1nnc(N2CCC[C@H]2c2cccs2)c(-c2nn[n-]n2)c1CC ZINC000821523270 606909168 /nfs/dbraw/zinc/90/91/68/606909168.db2.gz SZKHGURCFACJJP-ZDUSSCGKSA-N -1 3 355.471 3.185 20 0 FGADHM CCc1nnc(NCc2ccccc2OC(C)C)c(-c2nnn[n-]2)c1CC ZINC000821541949 606922639 /nfs/dbraw/zinc/92/26/39/606922639.db2.gz FHOZZWLHAKKZRQ-UHFFFAOYSA-N -1 3 367.457 3.181 20 0 FGADHM CCc1nnc(NCc2ccccc2OC(C)C)c(-c2nn[n-]n2)c1CC ZINC000821541949 606922640 /nfs/dbraw/zinc/92/26/40/606922640.db2.gz FHOZZWLHAKKZRQ-UHFFFAOYSA-N -1 3 367.457 3.181 20 0 FGADHM O[C@@H](CN(Cc1ccco1)c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823675145 606925452 /nfs/dbraw/zinc/92/54/52/606925452.db2.gz VGHOHJLWZHZVEO-IBGZPJMESA-N -1 3 361.405 3.200 20 0 FGADHM O[C@@H](CN(Cc1ccco1)c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823675145 606925453 /nfs/dbraw/zinc/92/54/53/606925453.db2.gz VGHOHJLWZHZVEO-IBGZPJMESA-N -1 3 361.405 3.200 20 0 FGADHM O=C(Oc1cc(F)cc(Br)c1)c1cc(-c2nnn[n-]2)cs1 ZINC000823445464 606932072 /nfs/dbraw/zinc/93/20/72/606932072.db2.gz WWRFNDWEEPIXRC-UHFFFAOYSA-N -1 3 369.175 3.049 20 0 FGADHM O=C(Oc1cc(F)cc(Br)c1)c1cc(-c2nn[n-]n2)cs1 ZINC000823445464 606932073 /nfs/dbraw/zinc/93/20/73/606932073.db2.gz WWRFNDWEEPIXRC-UHFFFAOYSA-N -1 3 369.175 3.049 20 0 FGADHM Cc1ccc(CNc2ccc(F)cc2-c2nnn[n-]2)c(O[C@H]2CCOC2)c1 ZINC000822238845 606948125 /nfs/dbraw/zinc/94/81/25/606948125.db2.gz XJOHXKWEPVJQSH-HNNXBMFYSA-N -1 3 369.400 3.094 20 0 FGADHM Cc1ccc(CNc2ccc(F)cc2-c2nn[n-]n2)c(O[C@H]2CCOC2)c1 ZINC000822238845 606948126 /nfs/dbraw/zinc/94/81/26/606948126.db2.gz XJOHXKWEPVJQSH-HNNXBMFYSA-N -1 3 369.400 3.094 20 0 FGADHM C[C@H](CC(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1)c1ccncc1 ZINC000820220181 606960216 /nfs/dbraw/zinc/96/02/16/606960216.db2.gz OJIOIUZIZKSNRX-LLVKDONJSA-N -1 3 356.817 3.072 20 0 FGADHM C[C@H](CC(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1)c1ccncc1 ZINC000820220181 606960217 /nfs/dbraw/zinc/96/02/17/606960217.db2.gz OJIOIUZIZKSNRX-LLVKDONJSA-N -1 3 356.817 3.072 20 0 FGADHM CN(C(=O)Cc1cccc(F)c1F)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821571931 606960730 /nfs/dbraw/zinc/96/07/30/606960730.db2.gz LLCSHYYZLIYZTG-UHFFFAOYSA-N -1 3 363.755 3.004 20 0 FGADHM CN(C(=O)Cc1cccc(F)c1F)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821571931 606960731 /nfs/dbraw/zinc/96/07/31/606960731.db2.gz LLCSHYYZLIYZTG-UHFFFAOYSA-N -1 3 363.755 3.004 20 0 FGADHM Cc1cc(F)ccc1NC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000822206139 606981114 /nfs/dbraw/zinc/98/11/14/606981114.db2.gz VPOAVLGDWQQPFX-UHFFFAOYSA-N -1 3 355.373 3.110 20 0 FGADHM Cc1cc(F)ccc1NC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000822206139 606981116 /nfs/dbraw/zinc/98/11/16/606981116.db2.gz VPOAVLGDWQQPFX-UHFFFAOYSA-N -1 3 355.373 3.110 20 0 FGADHM C[C@H]1c2cc(F)cc(F)c2CCN1Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820819380 606981996 /nfs/dbraw/zinc/98/19/96/606981996.db2.gz ICYNNJHSIYNBFQ-JTQLQIEISA-N -1 3 359.355 3.403 20 0 FGADHM C[C@H]1c2cc(F)cc(F)c2CCN1Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820819380 606981997 /nfs/dbraw/zinc/98/19/97/606981997.db2.gz ICYNNJHSIYNBFQ-JTQLQIEISA-N -1 3 359.355 3.403 20 0 FGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NC[C@]1(C)CCCS1 ZINC000820121609 606986378 /nfs/dbraw/zinc/98/63/78/606986378.db2.gz RQJSWFITNBEPSO-SFHVURJKSA-N -1 3 374.514 3.072 20 0 FGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@]1(C)CCCS1 ZINC000820121609 606986380 /nfs/dbraw/zinc/98/63/80/606986380.db2.gz RQJSWFITNBEPSO-SFHVURJKSA-N -1 3 374.514 3.072 20 0 FGADHM O=C(CCc1ccccc1Cl)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822982349 606991117 /nfs/dbraw/zinc/99/11/17/606991117.db2.gz DQBARWHXPGFQGQ-UHFFFAOYSA-N -1 3 360.776 3.335 20 0 FGADHM O=C(CCc1ccccc1Cl)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822982349 606991119 /nfs/dbraw/zinc/99/11/19/606991119.db2.gz DQBARWHXPGFQGQ-UHFFFAOYSA-N -1 3 360.776 3.335 20 0 FGADHM Cc1ccc(OCCC(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)cc1C ZINC000822262924 606993945 /nfs/dbraw/zinc/99/39/45/606993945.db2.gz GPUMUPKUBVZKQY-UHFFFAOYSA-N -1 3 370.384 3.135 20 0 FGADHM Cc1ccc(OCCC(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)cc1C ZINC000822262924 606993947 /nfs/dbraw/zinc/99/39/47/606993947.db2.gz GPUMUPKUBVZKQY-UHFFFAOYSA-N -1 3 370.384 3.135 20 0 FGADHM C[C@@H](CC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2)c1ccncc1 ZINC000820225191 607006396 /nfs/dbraw/zinc/00/63/96/607006396.db2.gz CTEJXRIFTYOEFZ-NSHDSACASA-N -1 3 368.466 3.334 20 0 FGADHM C[C@@H](CC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2)c1ccncc1 ZINC000820225191 607006398 /nfs/dbraw/zinc/00/63/98/607006398.db2.gz CTEJXRIFTYOEFZ-NSHDSACASA-N -1 3 368.466 3.334 20 0 FGADHM CC(C)CN(CC(F)(F)F)C(=O)CSc1cccc(-c2nnn[n-]2)c1 ZINC000820086815 607011605 /nfs/dbraw/zinc/01/16/05/607011605.db2.gz GCEKGJRQJWNSQN-UHFFFAOYSA-N -1 3 373.404 3.006 20 0 FGADHM CC(C)CN(CC(F)(F)F)C(=O)CSc1cccc(-c2nn[n-]n2)c1 ZINC000820086815 607011606 /nfs/dbraw/zinc/01/16/06/607011606.db2.gz GCEKGJRQJWNSQN-UHFFFAOYSA-N -1 3 373.404 3.006 20 0 FGADHM Fc1ccc(-n2ccc(CSc3cccc(-c4nnn[n-]4)c3)n2)cc1 ZINC000822762194 607015736 /nfs/dbraw/zinc/01/57/36/607015736.db2.gz ZYPBARAXTOKNPY-UHFFFAOYSA-N -1 3 352.398 3.484 20 0 FGADHM Fc1ccc(-n2ccc(CSc3cccc(-c4nn[n-]n4)c3)n2)cc1 ZINC000822762194 607015737 /nfs/dbraw/zinc/01/57/37/607015737.db2.gz ZYPBARAXTOKNPY-UHFFFAOYSA-N -1 3 352.398 3.484 20 0 FGADHM Cc1c([C@H](C)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)nnn1-c1ccccc1 ZINC000822020820 607016064 /nfs/dbraw/zinc/01/60/64/607016064.db2.gz KHVACAFANIMLPV-KBPBESRZSA-N -1 3 374.452 3.168 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)COc1cc(C)c(Cl)c(C)c1 ZINC000822217445 607017675 /nfs/dbraw/zinc/01/76/75/607017675.db2.gz DYJLZZURLNTQJX-UHFFFAOYSA-N -1 3 371.828 3.463 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)COc1cc(C)c(Cl)c(C)c1 ZINC000822217445 607017676 /nfs/dbraw/zinc/01/76/76/607017676.db2.gz DYJLZZURLNTQJX-UHFFFAOYSA-N -1 3 371.828 3.463 20 0 FGADHM COc1ccc(-c2cnc(COc3cc(-c4nnn[n-]4)ccc3C)o2)cc1 ZINC000821731777 607027880 /nfs/dbraw/zinc/02/78/80/607027880.db2.gz GNJLVMNFRRLCSM-UHFFFAOYSA-N -1 3 363.377 3.418 20 0 FGADHM COc1ccc(-c2cnc(COc3cc(-c4nn[n-]n4)ccc3C)o2)cc1 ZINC000821731777 607027882 /nfs/dbraw/zinc/02/78/82/607027882.db2.gz GNJLVMNFRRLCSM-UHFFFAOYSA-N -1 3 363.377 3.418 20 0 FGADHM CC1(C)Cc2cc(NC(=O)Nc3cccc(-c4nnn[n-]4)c3)ccc2O1 ZINC000820607179 607036398 /nfs/dbraw/zinc/03/63/98/607036398.db2.gz LTDMYJCIHAWGDY-UHFFFAOYSA-N -1 3 350.382 3.224 20 0 FGADHM CC1(C)Cc2cc(NC(=O)Nc3cccc(-c4nn[n-]n4)c3)ccc2O1 ZINC000820607179 607036400 /nfs/dbraw/zinc/03/64/00/607036400.db2.gz LTDMYJCIHAWGDY-UHFFFAOYSA-N -1 3 350.382 3.224 20 0 FGADHM Clc1ccc(COc2ccc(Br)cc2-c2nnn[n-]2)cn1 ZINC000822574211 607043472 /nfs/dbraw/zinc/04/34/72/607043472.db2.gz QJYLNIZTDQCLLO-UHFFFAOYSA-N -1 3 366.606 3.257 20 0 FGADHM Clc1ccc(COc2ccc(Br)cc2-c2nn[n-]n2)cn1 ZINC000822574211 607043473 /nfs/dbraw/zinc/04/34/73/607043473.db2.gz QJYLNIZTDQCLLO-UHFFFAOYSA-N -1 3 366.606 3.257 20 0 FGADHM CC(C)CO[C@H]1CCN(c2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)C1 ZINC000820096872 607044195 /nfs/dbraw/zinc/04/41/95/607044195.db2.gz HVAIDWOGHVAJOU-ZDUSSCGKSA-N -1 3 372.860 3.320 20 0 FGADHM CC(C)CO[C@H]1CCN(c2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)C1 ZINC000820096872 607044197 /nfs/dbraw/zinc/04/41/97/607044197.db2.gz HVAIDWOGHVAJOU-ZDUSSCGKSA-N -1 3 372.860 3.320 20 0 FGADHM C[C@H](Nc1ncccc1-c1nnn[n-]1)c1ccc(OCC2CC2)c(F)c1 ZINC000820462087 607045684 /nfs/dbraw/zinc/04/56/84/607045684.db2.gz URGWGDZDPLQBAE-NSHDSACASA-N -1 3 354.389 3.363 20 0 FGADHM C[C@H](Nc1ncccc1-c1nn[n-]n1)c1ccc(OCC2CC2)c(F)c1 ZINC000820462087 607045685 /nfs/dbraw/zinc/04/56/85/607045685.db2.gz URGWGDZDPLQBAE-NSHDSACASA-N -1 3 354.389 3.363 20 0 FGADHM CC(C)C[C@H]1CCCN(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000820067113 607058070 /nfs/dbraw/zinc/05/80/70/607058070.db2.gz CZSVJDFMWMHZAM-LSDHHAIUSA-N -1 3 356.474 3.395 20 0 FGADHM CC(C)C[C@H]1CCCN(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000820067113 607058071 /nfs/dbraw/zinc/05/80/71/607058071.db2.gz CZSVJDFMWMHZAM-LSDHHAIUSA-N -1 3 356.474 3.395 20 0 FGADHM CCS[C@H](C)c1noc(CN(C)[C@H](C)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000821449297 607068364 /nfs/dbraw/zinc/06/83/64/607068364.db2.gz RPYHDLMXDXZZPR-VXGBXAGGSA-N -1 3 373.486 3.257 20 0 FGADHM CCS[C@H](C)c1noc(CN(C)[C@H](C)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000821449297 607068365 /nfs/dbraw/zinc/06/83/65/607068365.db2.gz RPYHDLMXDXZZPR-VXGBXAGGSA-N -1 3 373.486 3.257 20 0 FGADHM Cc1cccc([C@H]2CCCN2C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)n1 ZINC000822299277 607069215 /nfs/dbraw/zinc/06/92/15/607069215.db2.gz DBXOOFVRLFCZNN-MRXNPFEDSA-N -1 3 367.388 3.078 20 0 FGADHM Cc1cccc([C@H]2CCCN2C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)n1 ZINC000822299277 607069217 /nfs/dbraw/zinc/06/92/17/607069217.db2.gz DBXOOFVRLFCZNN-MRXNPFEDSA-N -1 3 367.388 3.078 20 0 FGADHM O=C(CCn1ccc2ccccc21)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000822987359 607075837 /nfs/dbraw/zinc/07/58/37/607075837.db2.gz WGKXQNCNXSKYER-UHFFFAOYSA-N -1 3 365.368 3.094 20 0 FGADHM O=C(CCn1ccc2ccccc21)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000822987359 607075838 /nfs/dbraw/zinc/07/58/38/607075838.db2.gz WGKXQNCNXSKYER-UHFFFAOYSA-N -1 3 365.368 3.094 20 0 FGADHM C[C@H](CSc1ccccc1)C(=O)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000820293490 607082100 /nfs/dbraw/zinc/08/21/00/607082100.db2.gz KTPIHYMMTZJGTR-GFCCVEGCSA-N -1 3 372.425 3.477 20 0 FGADHM C[C@H](CSc1ccccc1)C(=O)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000820293490 607082101 /nfs/dbraw/zinc/08/21/01/607082101.db2.gz KTPIHYMMTZJGTR-GFCCVEGCSA-N -1 3 372.425 3.477 20 0 FGADHM Cc1cc(OC(=O)c2sccc2-c2nnn[n-]2)ccc1Br ZINC000822210473 607093894 /nfs/dbraw/zinc/09/38/94/607093894.db2.gz DBUWUJZIQBFUSB-UHFFFAOYSA-N -1 3 365.212 3.218 20 0 FGADHM CCOc1cc(Cl)ccc1NC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000821393835 607095754 /nfs/dbraw/zinc/09/57/54/607095754.db2.gz CRRLCXSQNZIQKZ-UHFFFAOYSA-N -1 3 372.816 3.241 20 0 FGADHM CCOc1cc(Cl)ccc1NC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000821393835 607095756 /nfs/dbraw/zinc/09/57/56/607095756.db2.gz CRRLCXSQNZIQKZ-UHFFFAOYSA-N -1 3 372.816 3.241 20 0 FGADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H](C)Oc1ccc(C)cc1 ZINC000821292802 607099433 /nfs/dbraw/zinc/09/94/33/607099433.db2.gz DKZOURAXNOIGPO-CYBMUJFWSA-N -1 3 366.425 3.013 20 0 FGADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H](C)Oc1cccc(C)c1 ZINC000821294018 607100738 /nfs/dbraw/zinc/10/07/38/607100738.db2.gz PJPDJWNLUMRSGM-ZDUSSCGKSA-N -1 3 366.425 3.013 20 0 FGADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CCc1ccc(C)cc1 ZINC000821304880 607101106 /nfs/dbraw/zinc/10/11/06/607101106.db2.gz SWLFCVTUIZEUKF-UHFFFAOYSA-N -1 3 350.426 3.178 20 0 FGADHM O=C(/C=C/SCc1ccco1)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822922470 607113989 /nfs/dbraw/zinc/11/39/89/607113989.db2.gz GJTMUZDYUKAPBJ-FNORWQNLSA-N -1 3 360.370 3.089 20 0 FGADHM O=C(/C=C/SCc1ccco1)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822922470 607113990 /nfs/dbraw/zinc/11/39/90/607113990.db2.gz GJTMUZDYUKAPBJ-FNORWQNLSA-N -1 3 360.370 3.089 20 0 FGADHM O=C(Cc1ccco1)OCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000823115605 607115443 /nfs/dbraw/zinc/11/54/43/607115443.db2.gz SEDGWNQKDKJIBZ-UHFFFAOYSA-N -1 3 360.373 3.413 20 0 FGADHM O=C(Cc1ccco1)OCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000823115605 607115445 /nfs/dbraw/zinc/11/54/45/607115445.db2.gz SEDGWNQKDKJIBZ-UHFFFAOYSA-N -1 3 360.373 3.413 20 0 FGADHM Clc1cc(-c2nn[n-]n2)ccc1NCc1noc(-c2ccsc2)n1 ZINC000822563215 607125172 /nfs/dbraw/zinc/12/51/72/607125172.db2.gz HRYIUBGBUQSZRV-UHFFFAOYSA-N -1 3 359.802 3.244 20 0 FGADHM Fc1ccc(F)c2c1ncc(-c1nnn[n-]1)c2N[C@@H]1CCCC(F)(F)C1 ZINC000822774610 607131043 /nfs/dbraw/zinc/13/10/43/607131043.db2.gz NPXMFBKGCJVABH-MRVPVSSYSA-N -1 3 366.322 3.105 20 0 FGADHM Fc1ccc(F)c2c1ncc(-c1nn[n-]n1)c2N[C@@H]1CCCC(F)(F)C1 ZINC000822774610 607131044 /nfs/dbraw/zinc/13/10/44/607131044.db2.gz NPXMFBKGCJVABH-MRVPVSSYSA-N -1 3 366.322 3.105 20 0 FGADHM Cc1cc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2F)c(Cl)cc1F ZINC000822182914 607136386 /nfs/dbraw/zinc/13/63/86/607136386.db2.gz DDHDMGDINQAAHP-UHFFFAOYSA-N -1 3 364.739 3.464 20 0 FGADHM Cc1cc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2F)c(Cl)cc1F ZINC000822182914 607136388 /nfs/dbraw/zinc/13/63/88/607136388.db2.gz DDHDMGDINQAAHP-UHFFFAOYSA-N -1 3 364.739 3.464 20 0 FGADHM COc1ccc(-c2nc(COc3ccc(-c4nnn[n-]4)cc3F)co2)cc1 ZINC000821732911 607139401 /nfs/dbraw/zinc/13/94/01/607139401.db2.gz XAOBNMOYHCVMEV-UHFFFAOYSA-N -1 3 367.340 3.248 20 0 FGADHM COc1ccc(-c2nc(COc3ccc(-c4nn[n-]n4)cc3F)co2)cc1 ZINC000821732911 607139403 /nfs/dbraw/zinc/13/94/03/607139403.db2.gz XAOBNMOYHCVMEV-UHFFFAOYSA-N -1 3 367.340 3.248 20 0 FGADHM Cc1coc(-c2ccc(C)c(NC(=O)c3sccc3-c3nnn[n-]3)c2)n1 ZINC000822402536 607139522 /nfs/dbraw/zinc/13/95/22/607139522.db2.gz DICFUOUPQDYRAI-UHFFFAOYSA-N -1 3 366.406 3.452 20 0 FGADHM Cc1coc(-c2ccc(C)c(NC(=O)c3sccc3-c3nn[n-]n3)c2)n1 ZINC000822402536 607139524 /nfs/dbraw/zinc/13/95/24/607139524.db2.gz DICFUOUPQDYRAI-UHFFFAOYSA-N -1 3 366.406 3.452 20 0 FGADHM Cc1cc(NC(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cnc1Cl ZINC000822208482 607139689 /nfs/dbraw/zinc/13/96/89/607139689.db2.gz UMNKRAGPHYZLOZ-SNVBAGLBSA-N -1 3 357.805 3.106 20 0 FGADHM Cc1cc(NC(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cnc1Cl ZINC000822208482 607139690 /nfs/dbraw/zinc/13/96/90/607139690.db2.gz UMNKRAGPHYZLOZ-SNVBAGLBSA-N -1 3 357.805 3.106 20 0 FGADHM CC[C@H](OC1CCCCC1)C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820939044 607151951 /nfs/dbraw/zinc/15/19/51/607151951.db2.gz PFHWPEMMWMVDKR-GUYCJALGSA-N -1 3 357.458 3.172 20 0 FGADHM CC[C@H](OC1CCCCC1)C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820939044 607151952 /nfs/dbraw/zinc/15/19/52/607151952.db2.gz PFHWPEMMWMVDKR-GUYCJALGSA-N -1 3 357.458 3.172 20 0 FGADHM CCO[C@H](CC(=O)N(CC(C)C)c1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000821352147 607153840 /nfs/dbraw/zinc/15/38/40/607153840.db2.gz XVLVRJSTSRQORX-QGZVFWFLSA-N -1 3 359.474 3.307 20 0 FGADHM CCO[C@H](CC(=O)N(CC(C)C)c1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000821352147 607153842 /nfs/dbraw/zinc/15/38/42/607153842.db2.gz XVLVRJSTSRQORX-QGZVFWFLSA-N -1 3 359.474 3.307 20 0 FGADHM CCC[C@H](C)[C@H]1CCCN1C(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000821016595 607164259 /nfs/dbraw/zinc/16/42/59/607164259.db2.gz XTDGTHRDXCCWRE-GRDNDAEWSA-N -1 3 357.458 3.061 20 0 FGADHM C[C@H](N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1nc(-c2ccccc2)no1 ZINC000820413821 607172069 /nfs/dbraw/zinc/17/20/69/607172069.db2.gz VZUBANUAISHZBG-STQMWFEESA-N -1 3 361.409 3.329 20 0 FGADHM C[C@H](N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1nc(-c2ccccc2)no1 ZINC000820413821 607172070 /nfs/dbraw/zinc/17/20/70/607172070.db2.gz VZUBANUAISHZBG-STQMWFEESA-N -1 3 361.409 3.329 20 0 FGADHM O=C(COc1cccc(Cl)c1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823044678 607191313 /nfs/dbraw/zinc/19/13/13/607191313.db2.gz YWTOCRSORNRYIM-UHFFFAOYSA-N -1 3 364.192 3.191 20 0 FGADHM O=C(COc1cccc(Cl)c1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823044678 607191314 /nfs/dbraw/zinc/19/13/14/607191314.db2.gz YWTOCRSORNRYIM-UHFFFAOYSA-N -1 3 364.192 3.191 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)[C@H]1SCCc2ccccc21 ZINC000823313607 607191322 /nfs/dbraw/zinc/19/13/22/607191322.db2.gz GEEOYYGGGOBXNG-HNNXBMFYSA-N -1 3 371.853 3.489 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)[C@H]1SCCc2ccccc21 ZINC000823313607 607191323 /nfs/dbraw/zinc/19/13/23/607191323.db2.gz GEEOYYGGGOBXNG-HNNXBMFYSA-N -1 3 371.853 3.489 20 0 FGADHM O=C(NCC1Cc2ccccc2C1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823182161 607197643 /nfs/dbraw/zinc/19/76/43/607197643.db2.gz INZGGBLTWGMAJM-UHFFFAOYSA-N -1 3 368.828 3.057 20 0 FGADHM O=C(NCC1Cc2ccccc2C1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823182161 607197644 /nfs/dbraw/zinc/19/76/44/607197644.db2.gz INZGGBLTWGMAJM-UHFFFAOYSA-N -1 3 368.828 3.057 20 0 FGADHM Cc1ccc(CNC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)c(C)c1 ZINC000822237112 607200267 /nfs/dbraw/zinc/20/02/67/607200267.db2.gz FVZRGYZKTPJSGS-UHFFFAOYSA-N -1 3 356.817 3.459 20 0 FGADHM Cc1ccc(CNC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)c(C)c1 ZINC000822237112 607200268 /nfs/dbraw/zinc/20/02/68/607200268.db2.gz FVZRGYZKTPJSGS-UHFFFAOYSA-N -1 3 356.817 3.459 20 0 FGADHM Cc1cccc(OCCNC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000822328143 607200360 /nfs/dbraw/zinc/20/03/60/607200360.db2.gz LSFUOUWSJARHNT-UHFFFAOYSA-N -1 3 372.816 3.029 20 0 FGADHM Cc1cccc(OCCNC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000822328143 607200361 /nfs/dbraw/zinc/20/03/61/607200361.db2.gz LSFUOUWSJARHNT-UHFFFAOYSA-N -1 3 372.816 3.029 20 0 FGADHM Cc1sc(NC(=O)Cc2cc(F)c(F)cc2F)c(-c2nnn[n-]2)c1C ZINC000822564298 607236182 /nfs/dbraw/zinc/23/61/82/607236182.db2.gz YSJNSAOJJFLNNU-UHFFFAOYSA-N -1 3 367.356 3.144 20 0 FGADHM Cc1sc(NC(=O)Cc2cc(F)c(F)cc2F)c(-c2nn[n-]n2)c1C ZINC000822564298 607236183 /nfs/dbraw/zinc/23/61/83/607236183.db2.gz YSJNSAOJJFLNNU-UHFFFAOYSA-N -1 3 367.356 3.144 20 0 FGADHM C[C@@H]1CCC[C@H](C)CN1C(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000820690258 607238843 /nfs/dbraw/zinc/23/88/43/607238843.db2.gz IGWDNKKHZHVHPL-UONOGXRCSA-N -1 3 357.458 3.061 20 0 FGADHM C[C@@H]1CCC[C@H](C)CN1C(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000820690258 607238844 /nfs/dbraw/zinc/23/88/44/607238844.db2.gz IGWDNKKHZHVHPL-UONOGXRCSA-N -1 3 357.458 3.061 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1cnc(Cl)c(Cl)c1 ZINC000823318826 607243260 /nfs/dbraw/zinc/24/32/60/607243260.db2.gz LFZJMUQPEFXQRV-UHFFFAOYSA-N -1 3 369.599 3.474 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1cnc(Cl)c(Cl)c1 ZINC000823318826 607243261 /nfs/dbraw/zinc/24/32/61/607243261.db2.gz LFZJMUQPEFXQRV-UHFFFAOYSA-N -1 3 369.599 3.474 20 0 FGADHM C[C@H](CCc1ccccc1F)C(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000820253152 607246076 /nfs/dbraw/zinc/24/60/76/607246076.db2.gz GIEBCDZKZGKQRO-LLVKDONJSA-N -1 3 358.348 3.319 20 0 FGADHM C[C@H](CCc1ccccc1F)C(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000820253152 607246077 /nfs/dbraw/zinc/24/60/77/607246077.db2.gz GIEBCDZKZGKQRO-LLVKDONJSA-N -1 3 358.348 3.319 20 0 FGADHM CC(C)(C)Oc1ccncc1NC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000824124471 607775550 /nfs/dbraw/zinc/77/55/50/607775550.db2.gz UHIVBGCPPMUUJK-UHFFFAOYSA-N -1 3 366.425 3.010 20 0 FGADHM CC(C)(C)Oc1ccncc1NC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000824124471 607775551 /nfs/dbraw/zinc/77/55/51/607775551.db2.gz UHIVBGCPPMUUJK-UHFFFAOYSA-N -1 3 366.425 3.010 20 0 FGADHM CC(C)(C)Oc1ccncc1NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000824124272 607775625 /nfs/dbraw/zinc/77/56/25/607775625.db2.gz RVVMWUDXVXDTNV-CMDGGOBGSA-N -1 3 364.409 3.091 20 0 FGADHM CC(C)(C)Oc1ccncc1NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000824124272 607775626 /nfs/dbraw/zinc/77/56/26/607775626.db2.gz RVVMWUDXVXDTNV-CMDGGOBGSA-N -1 3 364.409 3.091 20 0 FGADHM Cc1ccc(OCCCC(=O)N(C)c2ccccc2-c2nnn[n-]2)c(C)c1 ZINC000826291905 607788454 /nfs/dbraw/zinc/78/84/54/607788454.db2.gz AVHVRQDYHNSALS-UHFFFAOYSA-N -1 3 365.437 3.306 20 0 FGADHM Cc1ccc(OCCCC(=O)N(C)c2ccccc2-c2nn[n-]n2)c(C)c1 ZINC000826291905 607788455 /nfs/dbraw/zinc/78/84/55/607788455.db2.gz AVHVRQDYHNSALS-UHFFFAOYSA-N -1 3 365.437 3.306 20 0 FGADHM CCOc1ccccc1C(F)(F)C(=O)Nc1sccc1-c1nnn[n-]1 ZINC000825653995 607792869 /nfs/dbraw/zinc/79/28/69/607792869.db2.gz MHGIVTCNKZDGPD-UHFFFAOYSA-N -1 3 365.365 3.057 20 0 FGADHM CCOc1ccccc1C(F)(F)C(=O)Nc1sccc1-c1nn[n-]n1 ZINC000825653995 607792870 /nfs/dbraw/zinc/79/28/70/607792870.db2.gz MHGIVTCNKZDGPD-UHFFFAOYSA-N -1 3 365.365 3.057 20 0 FGADHM Cc1ccc(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)nc2)nc1 ZINC000826282174 607794085 /nfs/dbraw/zinc/79/40/85/607794085.db2.gz BLMDKIUZPQOZQL-UHFFFAOYSA-N -1 3 373.376 3.010 20 0 FGADHM CCN(C(=O)C=Cc1ccnc2ccccc12)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367941 607796294 /nfs/dbraw/zinc/79/62/94/607796294.db2.gz XZBSENYCTQGQQD-XFXZXTDPSA-N -1 3 370.416 3.481 20 0 FGADHM CCN(C(=O)C=Cc1ccnc2ccccc12)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367941 607796295 /nfs/dbraw/zinc/79/62/95/607796295.db2.gz XZBSENYCTQGQQD-XFXZXTDPSA-N -1 3 370.416 3.481 20 0 FGADHM CCN(C(=O)c1cc(F)c(F)cc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000825380881 607796724 /nfs/dbraw/zinc/79/67/24/607796724.db2.gz WWJUQONEAUCHKJ-UHFFFAOYSA-N -1 3 363.755 3.465 20 0 FGADHM CCN(C(=O)c1cc(F)c(F)cc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000825380881 607796725 /nfs/dbraw/zinc/79/67/25/607796725.db2.gz WWJUQONEAUCHKJ-UHFFFAOYSA-N -1 3 363.755 3.465 20 0 FGADHM CCN(C(=O)C[C@@H]1CCc2ccccc2C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825366939 607799710 /nfs/dbraw/zinc/79/97/10/607799710.db2.gz HITREVNSXGCOIS-OAHLLOKOSA-N -1 3 361.449 3.415 20 0 FGADHM CCN(C(=O)C[C@@H]1CCc2ccccc2C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825366939 607799711 /nfs/dbraw/zinc/79/97/11/607799711.db2.gz HITREVNSXGCOIS-OAHLLOKOSA-N -1 3 361.449 3.415 20 0 FGADHM CCN(C(=O)C/C=C\c1cccc(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825371458 607800743 /nfs/dbraw/zinc/80/07/43/607800743.db2.gz GWEOBWNXJANGNK-XQRVVYSFSA-N -1 3 351.385 3.462 20 0 FGADHM CCN(C(=O)C/C=C\c1cccc(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825371458 607800744 /nfs/dbraw/zinc/80/07/44/607800744.db2.gz GWEOBWNXJANGNK-XQRVVYSFSA-N -1 3 351.385 3.462 20 0 FGADHM CCOc1ccccc1C(F)(F)C(=O)OCc1cccc(-c2nnn[n-]2)c1 ZINC000825654367 607805633 /nfs/dbraw/zinc/80/56/33/607805633.db2.gz YTXNQUQLFUDWSL-UHFFFAOYSA-N -1 3 374.347 3.101 20 0 FGADHM CCOc1ccccc1C(F)(F)C(=O)OCc1cccc(-c2nn[n-]n2)c1 ZINC000825654367 607805634 /nfs/dbraw/zinc/80/56/34/607805634.db2.gz YTXNQUQLFUDWSL-UHFFFAOYSA-N -1 3 374.347 3.101 20 0 FGADHM COc1ccc(CSc2nc(C)nc(C)c2-c2nnn[n-]2)cc1Cl ZINC000826208092 607813440 /nfs/dbraw/zinc/81/34/40/607813440.db2.gz SEVZWPBMGAHZAU-UHFFFAOYSA-N -1 3 362.846 3.228 20 0 FGADHM COc1ccc(CSc2nc(C)nc(C)c2-c2nn[n-]n2)cc1Cl ZINC000826208092 607813441 /nfs/dbraw/zinc/81/34/41/607813441.db2.gz SEVZWPBMGAHZAU-UHFFFAOYSA-N -1 3 362.846 3.228 20 0 FGADHM Clc1ccc(COCCNc2ncc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000826352182 607819515 /nfs/dbraw/zinc/81/95/15/607819515.db2.gz QQIPPJUHJYFUFD-UHFFFAOYSA-N -1 3 365.224 3.197 20 0 FGADHM Clc1ccc(COCCNc2ncc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000826352182 607819516 /nfs/dbraw/zinc/81/95/16/607819516.db2.gz QQIPPJUHJYFUFD-UHFFFAOYSA-N -1 3 365.224 3.197 20 0 FGADHM Cc1ccc(CC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCC3)o1 ZINC000826286465 607826362 /nfs/dbraw/zinc/82/63/62/607826362.db2.gz CZOANGCWXQOUCT-UHFFFAOYSA-N -1 3 357.439 3.280 20 0 FGADHM Cc1ccc(CC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCC3)o1 ZINC000826286465 607826363 /nfs/dbraw/zinc/82/63/63/607826363.db2.gz CZOANGCWXQOUCT-UHFFFAOYSA-N -1 3 357.439 3.280 20 0 FGADHM CCCCCNC(=O)[C@H](C)Sc1ccc(-c2nnn[n-]2)cc1Cl ZINC000825276350 607843591 /nfs/dbraw/zinc/84/35/91/607843591.db2.gz WYLACYOKARYMMN-JTQLQIEISA-N -1 3 353.879 3.307 20 0 FGADHM CCCCCNC(=O)[C@H](C)Sc1ccc(-c2nn[n-]n2)cc1Cl ZINC000825276350 607843592 /nfs/dbraw/zinc/84/35/92/607843592.db2.gz WYLACYOKARYMMN-JTQLQIEISA-N -1 3 353.879 3.307 20 0 FGADHM CC(C)c1cn(CN(C)c2ccc(-c3nn[n-]n3)cc2F)c(=S)n1C ZINC000824352810 607847879 /nfs/dbraw/zinc/84/78/79/607847879.db2.gz OTMKEQLIACUWEZ-UHFFFAOYSA-N -1 3 361.450 3.093 20 0 FGADHM C[C@H](Nc1cc(-c2nnn[n-]2)c2ccccc2n1)[C@@H]1COc2ccccc21 ZINC000824650410 607850092 /nfs/dbraw/zinc/85/00/92/607850092.db2.gz RJUZUAKITADRKH-LRDDRELGSA-N -1 3 358.405 3.392 20 0 FGADHM C[C@H](Nc1cc(-c2nn[n-]n2)c2ccccc2n1)[C@@H]1COc2ccccc21 ZINC000824650410 607850093 /nfs/dbraw/zinc/85/00/93/607850093.db2.gz RJUZUAKITADRKH-LRDDRELGSA-N -1 3 358.405 3.392 20 0 FGADHM COc1ccc2ccc(OC[C@H](O)c3ccc(-c4nnn[n-]4)cc3)cc2c1 ZINC000826213502 607872092 /nfs/dbraw/zinc/87/20/92/607872092.db2.gz ZBISSPHAFAYFMU-IBGZPJMESA-N -1 3 362.389 3.141 20 0 FGADHM COc1ccc2ccc(OC[C@H](O)c3ccc(-c4nn[n-]n4)cc3)cc2c1 ZINC000826213502 607872093 /nfs/dbraw/zinc/87/20/93/607872093.db2.gz ZBISSPHAFAYFMU-IBGZPJMESA-N -1 3 362.389 3.141 20 0 FGADHM CCc1ccc([C@H]2CCCN2C(=O)c2ncc(-c3nnn[n-]3)cc2Cl)o1 ZINC000825705099 607879267 /nfs/dbraw/zinc/87/92/67/607879267.db2.gz WBOZJPMIIFIMFM-CYBMUJFWSA-N -1 3 372.816 3.048 20 0 FGADHM CCc1ccc([C@H]2CCCN2C(=O)c2ncc(-c3nn[n-]n3)cc2Cl)o1 ZINC000825705099 607879268 /nfs/dbraw/zinc/87/92/68/607879268.db2.gz WBOZJPMIIFIMFM-CYBMUJFWSA-N -1 3 372.816 3.048 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000826173957 607880613 /nfs/dbraw/zinc/88/06/13/607880613.db2.gz CECYDDUFTCQYJA-UMVBOHGHSA-N -1 3 356.426 3.387 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000826173957 607880614 /nfs/dbraw/zinc/88/06/14/607880614.db2.gz CECYDDUFTCQYJA-UMVBOHGHSA-N -1 3 356.426 3.387 20 0 FGADHM FC(F)(F)c1ccc(-c2nc(Cn3ccc(-c4nnn[n-]4)c3)co2)cc1 ZINC000826368114 607891155 /nfs/dbraw/zinc/89/11/55/607891155.db2.gz CGADGHKQWSNXFZ-UHFFFAOYSA-N -1 3 360.299 3.390 20 0 FGADHM FC(F)(F)c1ccc(-c2nc(Cn3ccc(-c4nn[n-]n4)c3)co2)cc1 ZINC000826368114 607891156 /nfs/dbraw/zinc/89/11/56/607891156.db2.gz CGADGHKQWSNXFZ-UHFFFAOYSA-N -1 3 360.299 3.390 20 0 FGADHM CC(C)CSCCCNC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000824274510 607911757 /nfs/dbraw/zinc/91/17/57/607911757.db2.gz JBEPHUBNOWSAKX-CYBMUJFWSA-N -1 3 362.503 3.006 20 0 FGADHM CC(C)CSCCCNC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000824274510 607911758 /nfs/dbraw/zinc/91/17/58/607911758.db2.gz JBEPHUBNOWSAKX-CYBMUJFWSA-N -1 3 362.503 3.006 20 0 FGADHM CC(C)CSCCCNC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000824276070 607911819 /nfs/dbraw/zinc/91/18/19/607911819.db2.gz ZBWGBMRTYMLCKM-CYBMUJFWSA-N -1 3 362.503 3.006 20 0 FGADHM CC(C)CSCCCNC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000824276070 607911820 /nfs/dbraw/zinc/91/18/20/607911820.db2.gz ZBWGBMRTYMLCKM-CYBMUJFWSA-N -1 3 362.503 3.006 20 0 FGADHM CCCC[C@@H](CC)CNC(=S)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000825259712 607930261 /nfs/dbraw/zinc/93/02/61/607930261.db2.gz KKQRJLBNHSIUKT-CYBMUJFWSA-N -1 3 358.515 3.320 20 0 FGADHM CCCC[C@@H](CC)CNC(=S)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000825259712 607930262 /nfs/dbraw/zinc/93/02/62/607930262.db2.gz KKQRJLBNHSIUKT-CYBMUJFWSA-N -1 3 358.515 3.320 20 0 FGADHM CS[C@H](C)CC(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000826224642 607940111 /nfs/dbraw/zinc/94/01/11/607940111.db2.gz JGGHILPHVDQUQB-LLVKDONJSA-N -1 3 373.507 3.353 20 0 FGADHM O=C(c1[nH]c2ccccc2c1Cl)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826468324 607949117 /nfs/dbraw/zinc/94/91/17/607949117.db2.gz LKVUORWQYHHBCI-UHFFFAOYSA-N -1 3 364.796 3.204 20 0 FGADHM O=C(c1[nH]c2ccccc2c1Cl)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826468324 607949118 /nfs/dbraw/zinc/94/91/18/607949118.db2.gz LKVUORWQYHHBCI-UHFFFAOYSA-N -1 3 364.796 3.204 20 0 FGADHM Cc1ccc2[nH]c(C(=O)N3CCc4ccc(-c5nnn[n-]5)cc43)cc2c1C ZINC000826293688 607951034 /nfs/dbraw/zinc/95/10/34/607951034.db2.gz YKSMPTZRLXQKQL-UHFFFAOYSA-N -1 3 358.405 3.168 20 0 FGADHM Cc1ccc2[nH]c(C(=O)N3CCc4ccc(-c5nn[n-]n5)cc43)cc2c1C ZINC000826293688 607951035 /nfs/dbraw/zinc/95/10/35/607951035.db2.gz YKSMPTZRLXQKQL-UHFFFAOYSA-N -1 3 358.405 3.168 20 0 FGADHM COc1ccc(C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)c2ccccc12 ZINC000826187392 607954110 /nfs/dbraw/zinc/95/41/10/607954110.db2.gz OFTZSMOLZRLFMT-UHFFFAOYSA-N -1 3 371.400 3.231 20 0 FGADHM COc1ccc(C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)c2ccccc12 ZINC000826187392 607954111 /nfs/dbraw/zinc/95/41/11/607954111.db2.gz OFTZSMOLZRLFMT-UHFFFAOYSA-N -1 3 371.400 3.231 20 0 FGADHM Cc1cc(CCCC(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)c(C)s1 ZINC000826266130 607954949 /nfs/dbraw/zinc/95/49/49/607954949.db2.gz CSWGVFDKKFIVJY-UHFFFAOYSA-N -1 3 367.478 3.457 20 0 FGADHM Cc1cc(CCCC(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)c(C)s1 ZINC000826266130 607954950 /nfs/dbraw/zinc/95/49/50/607954950.db2.gz CSWGVFDKKFIVJY-UHFFFAOYSA-N -1 3 367.478 3.457 20 0 FGADHM Cc1cc(C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)cc2)ncn1 ZINC000826260213 607978606 /nfs/dbraw/zinc/97/86/06/607978606.db2.gz BFQQJJFGGWBAGC-UHFFFAOYSA-N -1 3 373.376 3.010 20 0 FGADHM Cc1cc(C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)cc2)ncn1 ZINC000826260213 607978607 /nfs/dbraw/zinc/97/86/07/607978607.db2.gz BFQQJJFGGWBAGC-UHFFFAOYSA-N -1 3 373.376 3.010 20 0 FGADHM CC(C)(C)C1=CCN(Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)CC1 ZINC000824072667 607985984 /nfs/dbraw/zinc/98/59/84/607985984.db2.gz XJPYXXRYXHNHEW-UHFFFAOYSA-N -1 3 365.441 3.095 20 0 FGADHM CC(C)(C)C1=CCN(Cc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)CC1 ZINC000824072667 607985985 /nfs/dbraw/zinc/98/59/85/607985985.db2.gz XJPYXXRYXHNHEW-UHFFFAOYSA-N -1 3 365.441 3.095 20 0 FGADHM C[C@H](NC(=O)N1CC=C(C(C)(C)C)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824492454 607986742 /nfs/dbraw/zinc/98/67/42/607986742.db2.gz ZEFAVUOQMTWRAW-ZDUSSCGKSA-N -1 3 354.458 3.316 20 0 FGADHM C[C@H](NC(=O)N1CC=C(C(C)(C)C)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824492454 607986743 /nfs/dbraw/zinc/98/67/43/607986743.db2.gz ZEFAVUOQMTWRAW-ZDUSSCGKSA-N -1 3 354.458 3.316 20 0 FGADHM Brc1cc(-c2nn[n-]n2)ccc1NCCc1cccs1 ZINC000823827154 607987516 /nfs/dbraw/zinc/98/75/16/607987516.db2.gz VLNLZTZBUDBBSN-UHFFFAOYSA-N -1 3 350.245 3.345 20 0 FGADHM FC(F)Oc1cc(-c2nnn[n-]2)ccc1CN1CCc2ccsc2C1 ZINC000826369595 608045661 /nfs/dbraw/zinc/04/56/61/608045661.db2.gz JNGZNEBWQOKMCX-UHFFFAOYSA-N -1 3 363.393 3.088 20 0 FGADHM FC(F)Oc1cc(-c2nn[n-]n2)ccc1CN1CCc2ccsc2C1 ZINC000826369595 608045662 /nfs/dbraw/zinc/04/56/62/608045662.db2.gz JNGZNEBWQOKMCX-UHFFFAOYSA-N -1 3 363.393 3.088 20 0 FGADHM Brc1cc(-c2nn[n-]n2)ccc1N1CCC[C@H]1c1ccccn1 ZINC000823826559 608047712 /nfs/dbraw/zinc/04/77/12/608047712.db2.gz LHNZYTKPEZREBI-HNNXBMFYSA-N -1 3 371.242 3.366 20 0 FGADHM CCC(CC)[C@H](C)C(=O)OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000825097442 608059573 /nfs/dbraw/zinc/05/95/73/608059573.db2.gz WTXBMUVFUBPDOY-NSHDSACASA-N -1 3 370.413 3.032 20 0 FGADHM CCC(CC)[C@H](C)C(=O)OCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000825097442 608059574 /nfs/dbraw/zinc/05/95/74/608059574.db2.gz WTXBMUVFUBPDOY-NSHDSACASA-N -1 3 370.413 3.032 20 0 FGADHM C[C@H](c1c(F)cccc1F)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824763832 608068210 /nfs/dbraw/zinc/06/82/10/608068210.db2.gz PLRPXANFUPIWPJ-SJKOYZFVSA-N -1 3 371.391 3.279 20 0 FGADHM C[C@H](c1c(F)cccc1F)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824763832 608068211 /nfs/dbraw/zinc/06/82/11/608068211.db2.gz PLRPXANFUPIWPJ-SJKOYZFVSA-N -1 3 371.391 3.279 20 0 FGADHM Clc1cc(N[C@@H]2CC[C@@H]3SCCS[C@@H]23)ccc1-c1nnn[n-]1 ZINC000826350634 608098971 /nfs/dbraw/zinc/09/89/71/608098971.db2.gz FMLMYJLCXWKCPL-AGIUHOORSA-N -1 3 353.904 3.312 20 0 FGADHM Clc1cc(N[C@@H]2CC[C@@H]3SCCS[C@@H]23)ccc1-c1nn[n-]n1 ZINC000826350634 608098972 /nfs/dbraw/zinc/09/89/72/608098972.db2.gz FMLMYJLCXWKCPL-AGIUHOORSA-N -1 3 353.904 3.312 20 0 FGADHM O[C@@H](CNc1ccc(Cl)cc1-c1nnn[n-]1)c1ccc(Cl)c(F)c1 ZINC000826504236 608100018 /nfs/dbraw/zinc/10/00/18/608100018.db2.gz QKPLTIZWAQXHAU-AWEZNQCLSA-N -1 3 368.199 3.458 20 0 FGADHM O[C@@H](CNc1ccc(Cl)cc1-c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000826504236 608100019 /nfs/dbraw/zinc/10/00/19/608100019.db2.gz QKPLTIZWAQXHAU-AWEZNQCLSA-N -1 3 368.199 3.458 20 0 FGADHM CC[C@H](C)n1ncc(NC(=O)Cc2ccc(-c3nnn[n-]3)cc2)c1C1CC1 ZINC000825081902 608102481 /nfs/dbraw/zinc/10/24/81/608102481.db2.gz OFFZYJMTNZFLBH-LBPRGKRZSA-N -1 3 365.441 3.093 20 0 FGADHM CC[C@H](C)n1ncc(NC(=O)Cc2ccc(-c3nn[n-]n3)cc2)c1C1CC1 ZINC000825081902 608102482 /nfs/dbraw/zinc/10/24/82/608102482.db2.gz OFFZYJMTNZFLBH-LBPRGKRZSA-N -1 3 365.441 3.093 20 0 FGADHM C[C@@H]1CCc2ccccc2[C@H]1NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000824968518 608102545 /nfs/dbraw/zinc/10/25/45/608102545.db2.gz QEXAMSDOBHQFKV-QGHHPUGFSA-N -1 3 369.375 3.198 20 0 FGADHM C[C@@H]1CCc2ccccc2[C@H]1NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000824968518 608102546 /nfs/dbraw/zinc/10/25/46/608102546.db2.gz QEXAMSDOBHQFKV-QGHHPUGFSA-N -1 3 369.375 3.198 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@H](C)c1c(F)cccc1F ZINC000825609494 608122852 /nfs/dbraw/zinc/12/28/52/608122852.db2.gz NTDNMWUDUVNPNN-SNVBAGLBSA-N -1 3 374.347 3.253 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@H](C)c1c(F)cccc1F ZINC000825609494 608122853 /nfs/dbraw/zinc/12/28/53/608122853.db2.gz NTDNMWUDUVNPNN-SNVBAGLBSA-N -1 3 374.347 3.253 20 0 FGADHM COc1ccccc1OC[C@@H](C)CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC000826220654 608124146 /nfs/dbraw/zinc/12/41/46/608124146.db2.gz VGSDWSZYBDKZTH-NSHDSACASA-N -1 3 374.832 3.051 20 0 FGADHM COc1ccccc1OC[C@@H](C)CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC000826220654 608124147 /nfs/dbraw/zinc/12/41/47/608124147.db2.gz VGSDWSZYBDKZTH-NSHDSACASA-N -1 3 374.832 3.051 20 0 FGADHM Cc1cc(C)cc([C@@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)cc3C)C2)c1 ZINC000826264093 608131636 /nfs/dbraw/zinc/13/16/36/608131636.db2.gz BPWPFWGGHCGFQE-QGZVFWFLSA-N -1 3 361.449 3.422 20 0 FGADHM Cc1cc(C)cc([C@@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)cc3C)C2)c1 ZINC000826264093 608131637 /nfs/dbraw/zinc/13/16/37/608131637.db2.gz BPWPFWGGHCGFQE-QGZVFWFLSA-N -1 3 361.449 3.422 20 0 FGADHM CC(C)Oc1ccc(NC(=O)CCCC(F)(F)F)cc1-c1nnn[n-]1 ZINC000824323981 608161113 /nfs/dbraw/zinc/16/11/13/608161113.db2.gz FDHZEBIXZJSVIC-UHFFFAOYSA-N -1 3 357.336 3.325 20 0 FGADHM CC(C)Oc1ccc(NC(=O)CCCC(F)(F)F)cc1-c1nn[n-]n1 ZINC000824323981 608161115 /nfs/dbraw/zinc/16/11/15/608161115.db2.gz FDHZEBIXZJSVIC-UHFFFAOYSA-N -1 3 357.336 3.325 20 0 FGADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@H]1CC12CCCCC2 ZINC000824206643 608164244 /nfs/dbraw/zinc/16/42/44/608164244.db2.gz GFQCMBNZPYGCTC-IRXDYDNUSA-N -1 3 369.469 3.109 20 0 FGADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@H]1CC12CCCCC2 ZINC000824206643 608164246 /nfs/dbraw/zinc/16/42/46/608164246.db2.gz GFQCMBNZPYGCTC-IRXDYDNUSA-N -1 3 369.469 3.109 20 0 FGADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)[C@H]1CCC[C@@H](C)C1 ZINC000825789134 608179939 /nfs/dbraw/zinc/17/99/39/608179939.db2.gz WXOZAQBQMBJCQV-YPMHNXCESA-N -1 3 353.430 3.001 20 0 FGADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)[C@H]1CCC[C@@H](C)C1 ZINC000825789134 608179941 /nfs/dbraw/zinc/17/99/41/608179941.db2.gz WXOZAQBQMBJCQV-YPMHNXCESA-N -1 3 353.430 3.001 20 0 FGADHM COc1c(F)ccc(F)c1C(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826166951 608184375 /nfs/dbraw/zinc/18/43/75/608184375.db2.gz IYOAKYVUEZGKFV-SECBINFHSA-N -1 3 360.320 3.072 20 0 FGADHM COc1c(F)ccc(F)c1C(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826166951 608184377 /nfs/dbraw/zinc/18/43/77/608184377.db2.gz IYOAKYVUEZGKFV-SECBINFHSA-N -1 3 360.320 3.072 20 0 FGADHM O=S(=O)(c1ccc(Sc2cccc(-c3nnn[n-]3)c2)cc1)C(F)F ZINC000826495030 608191485 /nfs/dbraw/zinc/19/14/85/608191485.db2.gz AFPSICUQNRQHAJ-UHFFFAOYSA-N -1 3 368.390 3.014 20 0 FGADHM O=S(=O)(c1ccc(Sc2cccc(-c3nn[n-]n3)c2)cc1)C(F)F ZINC000826495030 608191487 /nfs/dbraw/zinc/19/14/87/608191487.db2.gz AFPSICUQNRQHAJ-UHFFFAOYSA-N -1 3 368.390 3.014 20 0 FGADHM CC(C)N(C(=O)CSc1cccc(Cl)c1-c1nnn[n-]1)C(C)C ZINC000824284692 608205888 /nfs/dbraw/zinc/20/58/88/608205888.db2.gz MXDBZSAHUUSOEP-UHFFFAOYSA-N -1 3 353.879 3.258 20 0 FGADHM CC(C)N(C(=O)CSc1cccc(Cl)c1-c1nn[n-]n1)C(C)C ZINC000824284692 608205889 /nfs/dbraw/zinc/20/58/89/608205889.db2.gz MXDBZSAHUUSOEP-UHFFFAOYSA-N -1 3 353.879 3.258 20 0 FGADHM C[C@H](Sc1cccc(Cl)c1-c1nnn[n-]1)C(=O)NCc1ccccc1 ZINC000824753132 608205927 /nfs/dbraw/zinc/20/59/27/608205927.db2.gz CMKZKKJPTIPBJW-NSHDSACASA-N -1 3 373.869 3.317 20 0 FGADHM C[C@H](Sc1cccc(Cl)c1-c1nn[n-]n1)C(=O)NCc1ccccc1 ZINC000824753132 608205928 /nfs/dbraw/zinc/20/59/28/608205928.db2.gz CMKZKKJPTIPBJW-NSHDSACASA-N -1 3 373.869 3.317 20 0 FGADHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1Cc1cccc(F)c1Cl ZINC000826335485 608218898 /nfs/dbraw/zinc/21/88/98/608218898.db2.gz PDICPHBWQNDZAY-UHFFFAOYSA-N -1 3 369.791 3.274 20 0 FGADHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1Cc1cccc(F)c1Cl ZINC000826335485 608218899 /nfs/dbraw/zinc/21/88/99/608218899.db2.gz PDICPHBWQNDZAY-UHFFFAOYSA-N -1 3 369.791 3.274 20 0 FGADHM O[C@@H](CNc1ccc2cc(-c3nnn[n-]3)ccc2n1)c1ccccc1Cl ZINC000826503814 608230944 /nfs/dbraw/zinc/23/09/44/608230944.db2.gz GZJLJIPLWVQUTN-INIZCTEOSA-N -1 3 366.812 3.214 20 0 FGADHM O[C@@H](CNc1ccc2cc(-c3nn[n-]n3)ccc2n1)c1ccccc1Cl ZINC000826503814 608230945 /nfs/dbraw/zinc/23/09/45/608230945.db2.gz GZJLJIPLWVQUTN-INIZCTEOSA-N -1 3 366.812 3.214 20 0 FGADHM CC(C)[C@H]1OCCC[C@H]1CNc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000824230063 608231209 /nfs/dbraw/zinc/23/12/09/608231209.db2.gz ZACCSEICBDBAAA-MAUKXSAKSA-N -1 3 352.442 3.278 20 0 FGADHM CC(C)[C@H]1OCCC[C@H]1CNc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000824230063 608231211 /nfs/dbraw/zinc/23/12/11/608231211.db2.gz ZACCSEICBDBAAA-MAUKXSAKSA-N -1 3 352.442 3.278 20 0 FGADHM c1ccc2c(c1)OC[C@@H](CCNc1ccc3cc(-c4nnn[n-]4)ccc3n1)O2 ZINC000826524049 608233958 /nfs/dbraw/zinc/23/39/58/608233958.db2.gz HGTVRYADOFWKQH-OAHLLOKOSA-N -1 3 374.404 3.057 20 0 FGADHM c1ccc2c(c1)OC[C@@H](CCNc1ccc3cc(-c4nn[n-]n4)ccc3n1)O2 ZINC000826524049 608233960 /nfs/dbraw/zinc/23/39/60/608233960.db2.gz HGTVRYADOFWKQH-OAHLLOKOSA-N -1 3 374.404 3.057 20 0 FGADHM c1ccc(C2CCN(c3ccc4cc(-c5nnn[n-]5)ccc4n3)CC2)nc1 ZINC000826520612 608235530 /nfs/dbraw/zinc/23/55/30/608235530.db2.gz OCUPCQAKUVWTPY-UHFFFAOYSA-N -1 3 357.421 3.194 20 0 FGADHM c1ccc(C2CCN(c3ccc4cc(-c5nn[n-]n5)ccc4n3)CC2)nc1 ZINC000826520612 608235531 /nfs/dbraw/zinc/23/55/31/608235531.db2.gz OCUPCQAKUVWTPY-UHFFFAOYSA-N -1 3 357.421 3.194 20 0 FGADHM Fc1cccc([C@H](NCc2ccc(-c3nn[n-]n3)cc2)c2ccccn2)c1 ZINC000826376972 608243805 /nfs/dbraw/zinc/24/38/05/608243805.db2.gz ZLWXWMAYDXEFNO-IBGZPJMESA-N -1 3 360.396 3.280 20 0 FGADHM CSc1cc(C(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)ccc1F ZINC000826229432 608267642 /nfs/dbraw/zinc/26/76/42/608267642.db2.gz DRSXHGVBQRNLBY-JTQLQIEISA-N -1 3 357.414 3.219 20 0 FGADHM CSc1cc(C(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)ccc1F ZINC000826229432 608267644 /nfs/dbraw/zinc/26/76/44/608267644.db2.gz DRSXHGVBQRNLBY-JTQLQIEISA-N -1 3 357.414 3.219 20 0 FGADHM Cc1c(NC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cnn1CC(C)C ZINC000826241510 608267689 /nfs/dbraw/zinc/26/76/89/608267689.db2.gz GCUZKIIRQHSOTI-UHFFFAOYSA-N -1 3 374.836 3.325 20 0 FGADHM Cc1c(NC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cnn1CC(C)C ZINC000826241510 608267691 /nfs/dbraw/zinc/26/76/91/608267691.db2.gz GCUZKIIRQHSOTI-UHFFFAOYSA-N -1 3 374.836 3.325 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)c(N2CCC(c3cc4ccccc4[nH]3)CC2)n1 ZINC000826274347 608278187 /nfs/dbraw/zinc/27/81/87/608278187.db2.gz OFELQQFKVZLKGH-UHFFFAOYSA-N -1 3 359.437 3.435 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)c(N2CCC(c3cc4ccccc4[nH]3)CC2)n1 ZINC000826274347 608278188 /nfs/dbraw/zinc/27/81/88/608278188.db2.gz OFELQQFKVZLKGH-UHFFFAOYSA-N -1 3 359.437 3.435 20 0 FGADHM CC(C)(C)NC(=S)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000824093440 608289460 /nfs/dbraw/zinc/28/94/60/608289460.db2.gz IFRBCCBKMXFJKA-UHFFFAOYSA-N -1 3 366.494 3.296 20 0 FGADHM CC(C)(C)NC(=S)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000824093440 608289461 /nfs/dbraw/zinc/28/94/61/608289461.db2.gz IFRBCCBKMXFJKA-UHFFFAOYSA-N -1 3 366.494 3.296 20 0 FGADHM COCC1(C)CCN(c2c(-c3nnn[n-]3)cnc3c(C)cc(F)cc32)CC1 ZINC000826152865 608297850 /nfs/dbraw/zinc/29/78/50/608297850.db2.gz QNTUMHIUYJBYCM-UHFFFAOYSA-N -1 3 370.432 3.115 20 0 FGADHM COCC1(C)CCN(c2c(-c3nn[n-]n3)cnc3c(C)cc(F)cc32)CC1 ZINC000826152865 608297851 /nfs/dbraw/zinc/29/78/51/608297851.db2.gz QNTUMHIUYJBYCM-UHFFFAOYSA-N -1 3 370.432 3.115 20 0 FGADHM c1ccc2c(c1)ncc(-c1nnn[n-]1)c2N1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000826523180 608298769 /nfs/dbraw/zinc/29/87/69/608298769.db2.gz DENAYMYZHVLHSQ-LSDHHAIUSA-N -1 3 364.453 3.058 20 0 FGADHM c1ccc2c(c1)ncc(-c1nn[n-]n1)c2N1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000826523180 608298771 /nfs/dbraw/zinc/29/87/71/608298771.db2.gz DENAYMYZHVLHSQ-LSDHHAIUSA-N -1 3 364.453 3.058 20 0 FGADHM O=C(NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)[C@@H]1C[C@H]1C1CC1 ZINC000826440227 608306204 /nfs/dbraw/zinc/30/62/04/608306204.db2.gz DWEVWKRVMIDPSA-RBUKOAKNSA-N -1 3 359.433 3.196 20 0 FGADHM O=C(NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)[C@@H]1C[C@H]1C1CC1 ZINC000826440227 608306205 /nfs/dbraw/zinc/30/62/05/608306205.db2.gz DWEVWKRVMIDPSA-RBUKOAKNSA-N -1 3 359.433 3.196 20 0 FGADHM CCc1cccnc1C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000825727859 608307692 /nfs/dbraw/zinc/30/76/92/608307692.db2.gz BFYISCCJEDJNTD-UHFFFAOYSA-N -1 3 362.315 3.095 20 0 FGADHM CCc1cccnc1C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000825727859 608307694 /nfs/dbraw/zinc/30/76/94/608307694.db2.gz BFYISCCJEDJNTD-UHFFFAOYSA-N -1 3 362.315 3.095 20 0 FGADHM O=C(OCc1cc(-c2nnn[n-]2)ccc1F)c1ccc(F)c(Cl)c1F ZINC000826464101 608321486 /nfs/dbraw/zinc/32/14/86/608321486.db2.gz ITDQPHDCQVMRQP-UHFFFAOYSA-N -1 3 368.702 3.294 20 0 FGADHM O=C(OCc1cc(-c2nn[n-]n2)ccc1F)c1ccc(F)c(Cl)c1F ZINC000826464101 608321488 /nfs/dbraw/zinc/32/14/88/608321488.db2.gz ITDQPHDCQVMRQP-UHFFFAOYSA-N -1 3 368.702 3.294 20 0 FGADHM CCc1cnccc1[C@@H](C)NC(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000825735653 608337201 /nfs/dbraw/zinc/33/72/01/608337201.db2.gz SDVLKJMWUQMZIU-GFCCVEGCSA-N -1 3 351.414 3.015 20 0 FGADHM CCc1cnccc1[C@@H](C)NC(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000825735653 608337203 /nfs/dbraw/zinc/33/72/03/608337203.db2.gz SDVLKJMWUQMZIU-GFCCVEGCSA-N -1 3 351.414 3.015 20 0 FGADHM CCN(C(=O)CC[C@H]1CC[C@@H](C)O1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825371953 608343806 /nfs/dbraw/zinc/34/38/06/608343806.db2.gz OLNOBOIBKJPGIY-DGCLKSJQSA-N -1 3 363.849 3.221 20 0 FGADHM CCN(C(=O)CC[C@H]1CC[C@@H](C)O1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825371953 608343808 /nfs/dbraw/zinc/34/38/08/608343808.db2.gz OLNOBOIBKJPGIY-DGCLKSJQSA-N -1 3 363.849 3.221 20 0 FGADHM CC1(CNC(=O)NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)CC1 ZINC000824824818 608353691 /nfs/dbraw/zinc/35/36/91/608353691.db2.gz XWYKTQQWKQHSHT-UHFFFAOYSA-N -1 3 362.437 3.133 20 0 FGADHM CC1(CNC(=O)NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)CC1 ZINC000824824818 608353693 /nfs/dbraw/zinc/35/36/93/608353693.db2.gz XWYKTQQWKQHSHT-UHFFFAOYSA-N -1 3 362.437 3.133 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)C(C)(C)Cc1ccccc1 ZINC000826170843 608359835 /nfs/dbraw/zinc/35/98/35/608359835.db2.gz RFSBMAMKUUAPTC-UHFFFAOYSA-N -1 3 366.421 3.187 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)C(C)(C)Cc1ccccc1 ZINC000826170843 608359837 /nfs/dbraw/zinc/35/98/37/608359837.db2.gz RFSBMAMKUUAPTC-UHFFFAOYSA-N -1 3 366.421 3.187 20 0 FGADHM CC(C)n1cnnc1[C@H]1CCCN(c2ccc(Cl)cc2-c2nnn[n-]2)C1 ZINC000824378154 608378535 /nfs/dbraw/zinc/37/85/35/608378535.db2.gz ZZCKAOXHIOMOIU-LBPRGKRZSA-N -1 3 372.864 3.077 20 0 FGADHM CC(C)n1cnnc1[C@H]1CCCN(c2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC000824378154 608378537 /nfs/dbraw/zinc/37/85/37/608378537.db2.gz ZZCKAOXHIOMOIU-LBPRGKRZSA-N -1 3 372.864 3.077 20 0 FGADHM C[C@@H](N[C@@H](C)c1ccccc1Cl)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000824650351 608389767 /nfs/dbraw/zinc/38/97/67/608389767.db2.gz QYZSROYRWPKUNV-NWDGAFQWSA-N -1 3 370.844 3.198 20 0 FGADHM C[C@@H](N[C@@H](C)c1ccccc1Cl)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000824650351 608389769 /nfs/dbraw/zinc/38/97/69/608389769.db2.gz QYZSROYRWPKUNV-NWDGAFQWSA-N -1 3 370.844 3.198 20 0 FGADHM Cc1ccccc1[C@H]1CN(Cc2cccc(-c3nnn[n-]3)c2F)[C@@H](C)CO1 ZINC000826307018 608397241 /nfs/dbraw/zinc/39/72/41/608397241.db2.gz UCZQNFVZQBTXEJ-KBXCAEBGSA-N -1 3 367.428 3.276 20 0 FGADHM Cc1ccccc1[C@H]1CN(Cc2cccc(-c3nn[n-]n3)c2F)[C@@H](C)CO1 ZINC000826307018 608397243 /nfs/dbraw/zinc/39/72/43/608397243.db2.gz UCZQNFVZQBTXEJ-KBXCAEBGSA-N -1 3 367.428 3.276 20 0 FGADHM C[C@H](NC(=O)NCc1cccc(-c2nnn[n-]2)c1)c1ccccc1Cl ZINC000826232047 608406557 /nfs/dbraw/zinc/40/65/57/608406557.db2.gz HEYHXDVRSWJXCH-NSHDSACASA-N -1 3 356.817 3.081 20 0 FGADHM C[C@H](NC(=O)NCc1cccc(-c2nn[n-]n2)c1)c1ccccc1Cl ZINC000826232047 608406558 /nfs/dbraw/zinc/40/65/58/608406558.db2.gz HEYHXDVRSWJXCH-NSHDSACASA-N -1 3 356.817 3.081 20 0 FGADHM C[C@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1Cl ZINC000736116229 608423078 /nfs/dbraw/zinc/42/30/78/608423078.db2.gz FCXNNUWRVDREAG-JTQLQIEISA-N -1 3 374.807 3.220 20 0 FGADHM C[C@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1Cl ZINC000736116229 608423080 /nfs/dbraw/zinc/42/30/80/608423080.db2.gz FCXNNUWRVDREAG-JTQLQIEISA-N -1 3 374.807 3.220 20 0 FGADHM CSc1cccc(NC(=O)CCc2ccc(-c3nnn[n-]3)cc2)c1C ZINC000826230679 608432399 /nfs/dbraw/zinc/43/23/99/608432399.db2.gz FINKBCBZVUNLSU-UHFFFAOYSA-N -1 3 353.451 3.468 20 0 FGADHM CSc1cccc(NC(=O)CCc2ccc(-c3nn[n-]n3)cc2)c1C ZINC000826230679 608432400 /nfs/dbraw/zinc/43/24/00/608432400.db2.gz FINKBCBZVUNLSU-UHFFFAOYSA-N -1 3 353.451 3.468 20 0 FGADHM COc1ccc(Cl)cc1C(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826208674 608435108 /nfs/dbraw/zinc/43/51/08/608435108.db2.gz VLOOEUPBTPPJLK-UHFFFAOYSA-N -1 3 362.748 3.025 20 0 FGADHM COc1ccc(Cl)cc1C(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826208674 608435110 /nfs/dbraw/zinc/43/51/10/608435110.db2.gz VLOOEUPBTPPJLK-UHFFFAOYSA-N -1 3 362.748 3.025 20 0 FGADHM Cc1ccc(C)c(OCCC(=O)OCc2cccc(-c3nnn[n-]3)c2F)c1 ZINC000826285140 608436648 /nfs/dbraw/zinc/43/66/48/608436648.db2.gz QDAXDYFGTVIZNL-UHFFFAOYSA-N -1 3 370.384 3.135 20 0 FGADHM Cc1ccc(C)c(OCCC(=O)OCc2cccc(-c3nn[n-]n3)c2F)c1 ZINC000826285140 608436649 /nfs/dbraw/zinc/43/66/49/608436649.db2.gz QDAXDYFGTVIZNL-UHFFFAOYSA-N -1 3 370.384 3.135 20 0 FGADHM CC(C)(C)c1nccc(N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)n1 ZINC000824141029 608441494 /nfs/dbraw/zinc/44/14/94/608441494.db2.gz AMRHPAFDVFBVQZ-UHFFFAOYSA-N -1 3 361.453 3.248 20 0 FGADHM CC(C)(C)c1nccc(N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)n1 ZINC000824141029 608441495 /nfs/dbraw/zinc/44/14/95/608441495.db2.gz AMRHPAFDVFBVQZ-UHFFFAOYSA-N -1 3 361.453 3.248 20 0 FGADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1CCc2cccc(F)c2C1 ZINC000826304198 608446589 /nfs/dbraw/zinc/44/65/89/608446589.db2.gz BRIDXJKKBJAJBH-UHFFFAOYSA-N -1 3 360.396 3.425 20 0 FGADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N1CCc2cccc(F)c2C1 ZINC000826304198 608446592 /nfs/dbraw/zinc/44/65/92/608446592.db2.gz BRIDXJKKBJAJBH-UHFFFAOYSA-N -1 3 360.396 3.425 20 0 FGADHM COc1ccc(NCc2ccc(-c3nnn[n-]3)s2)c(Br)c1 ZINC000826210025 608451123 /nfs/dbraw/zinc/45/11/23/608451123.db2.gz AZTRIDUEBSJLRM-UHFFFAOYSA-N -1 3 366.244 3.311 20 0 FGADHM CC(C)c1noc([C@H](C)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)n1 ZINC000824364477 608459759 /nfs/dbraw/zinc/45/97/59/608459759.db2.gz IHNVMMSJBIZHIJ-ZDUSSCGKSA-N -1 3 365.441 3.223 20 0 FGADHM CC(C)c1noc([C@H](C)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)n1 ZINC000824364477 608459760 /nfs/dbraw/zinc/45/97/60/608459760.db2.gz IHNVMMSJBIZHIJ-ZDUSSCGKSA-N -1 3 365.441 3.223 20 0 FGADHM O=C(c1ccc(F)cc1F)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826473386 608482465 /nfs/dbraw/zinc/48/24/65/608482465.db2.gz WHPFICREMSNKIP-UHFFFAOYSA-N -1 3 367.359 3.074 20 0 FGADHM O=C(c1ccc(F)cc1F)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826473386 608482466 /nfs/dbraw/zinc/48/24/66/608482466.db2.gz WHPFICREMSNKIP-UHFFFAOYSA-N -1 3 367.359 3.074 20 0 FGADHM CCc1cc(C)c(C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)o1 ZINC000825700854 608483081 /nfs/dbraw/zinc/48/30/81/608483081.db2.gz WJPIDRSFRPDHHL-UHFFFAOYSA-N -1 3 363.421 3.260 20 0 FGADHM CCc1cc(C)c(C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)o1 ZINC000825700854 608483082 /nfs/dbraw/zinc/48/30/82/608483082.db2.gz WJPIDRSFRPDHHL-UHFFFAOYSA-N -1 3 363.421 3.260 20 0 FGADHM CCS[C@H](C(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1)C(C)C ZINC000825669136 608486215 /nfs/dbraw/zinc/48/62/15/608486215.db2.gz QSVUUKJCNHCPGJ-KRWDZBQOSA-N -1 3 371.510 3.260 20 0 FGADHM CCS[C@H](C(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1)C(C)C ZINC000825669136 608486217 /nfs/dbraw/zinc/48/62/17/608486217.db2.gz QSVUUKJCNHCPGJ-KRWDZBQOSA-N -1 3 371.510 3.260 20 0 FGADHM CCCc1csc(NC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000825348164 608489825 /nfs/dbraw/zinc/48/98/25/608489825.db2.gz DNCHZEQZCRGFAE-UHFFFAOYSA-N -1 3 372.454 3.072 20 0 FGADHM OC1(COc2ccccc2Oc2ccc(-c3nnn[n-]3)cc2F)CCCC1 ZINC000826506330 608491192 /nfs/dbraw/zinc/49/11/92/608491192.db2.gz RXIZAYOQGKTGJE-UHFFFAOYSA-N -1 3 370.384 3.482 20 0 FGADHM OC1(COc2ccccc2Oc2ccc(-c3nn[n-]n3)cc2F)CCCC1 ZINC000826506330 608491193 /nfs/dbraw/zinc/49/11/93/608491193.db2.gz RXIZAYOQGKTGJE-UHFFFAOYSA-N -1 3 370.384 3.482 20 0 FGADHM c1cc(-c2nnn[n-]2)oc1CN1CCC[C@H]1c1nc2ccccc2s1 ZINC000826524135 608499113 /nfs/dbraw/zinc/49/91/13/608499113.db2.gz KUCCPPVNZMDHCO-ZDUSSCGKSA-N -1 3 352.423 3.407 20 0 FGADHM c1cc(-c2nn[n-]n2)oc1CN1CCC[C@H]1c1nc2ccccc2s1 ZINC000826524135 608499114 /nfs/dbraw/zinc/49/91/14/608499114.db2.gz KUCCPPVNZMDHCO-ZDUSSCGKSA-N -1 3 352.423 3.407 20 0 FGADHM CC[C@@H](OC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1cccc(OC)c1 ZINC000825153159 608499863 /nfs/dbraw/zinc/49/98/63/608499863.db2.gz GNWUXHQMXPMEKM-QGZVFWFLSA-N -1 3 352.394 3.112 20 0 FGADHM CC[C@@H](OC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1cccc(OC)c1 ZINC000825153159 608499864 /nfs/dbraw/zinc/49/98/64/608499864.db2.gz GNWUXHQMXPMEKM-QGZVFWFLSA-N -1 3 352.394 3.112 20 0 FGADHM FC(F)(F)c1csc(CNC2(c3cccc(-c4nnn[n-]4)c3)CC2)n1 ZINC000826369105 608534212 /nfs/dbraw/zinc/53/42/12/608534212.db2.gz MXWLDHBQEQKRRG-UHFFFAOYSA-N -1 3 366.372 3.121 20 0 FGADHM FC(F)(F)c1csc(CNC2(c3cccc(-c4nn[n-]n4)c3)CC2)n1 ZINC000826369105 608534214 /nfs/dbraw/zinc/53/42/14/608534214.db2.gz MXWLDHBQEQKRRG-UHFFFAOYSA-N -1 3 366.372 3.121 20 0 FGADHM C[C@H]1C[C@@H](C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCC3)CCC1=O ZINC000824869369 608539078 /nfs/dbraw/zinc/53/90/78/608539078.db2.gz ZTYDMJYBSHHCFI-QWRGUYRKSA-N -1 3 373.482 3.141 20 0 FGADHM C[C@H]1C[C@@H](C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCC3)CCC1=O ZINC000824869369 608539079 /nfs/dbraw/zinc/53/90/79/608539079.db2.gz ZTYDMJYBSHHCFI-QWRGUYRKSA-N -1 3 373.482 3.141 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)c1cc(CC)ccn1 ZINC000825609714 608540112 /nfs/dbraw/zinc/54/01/12/608540112.db2.gz RURBTDNSMIHTBW-UHFFFAOYSA-N -1 3 373.800 3.095 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)c1cc(CC)ccn1 ZINC000825609714 608540113 /nfs/dbraw/zinc/54/01/13/608540113.db2.gz RURBTDNSMIHTBW-UHFFFAOYSA-N -1 3 373.800 3.095 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NCc1cccc(OC(C)(C)C)n1 ZINC000826186894 608542339 /nfs/dbraw/zinc/54/23/39/608542339.db2.gz OIWBUPWNIOWHAQ-UHFFFAOYSA-N -1 3 354.414 3.060 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NCc1cccc(OC(C)(C)C)n1 ZINC000826186894 608542341 /nfs/dbraw/zinc/54/23/41/608542341.db2.gz OIWBUPWNIOWHAQ-UHFFFAOYSA-N -1 3 354.414 3.060 20 0 FGADHM Fc1ccc(COC2CCN(c3ccc(-c4nn[n-]n4)cc3F)CC2)cc1 ZINC000826374631 608560289 /nfs/dbraw/zinc/56/02/89/608560289.db2.gz GOCSJSAPGFHFFG-UHFFFAOYSA-N -1 3 371.391 3.331 20 0 FGADHM O=C(NOC1CCCC1)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826449697 608569249 /nfs/dbraw/zinc/56/92/49/608569249.db2.gz FWGFHKOOAWKWSM-UHFFFAOYSA-N -1 3 364.409 3.214 20 0 FGADHM Cc1cc(C(=O)Nc2nc3c(cc2-c2nnn[n-]2)CCCC3)c(C)s1 ZINC000826261164 608569748 /nfs/dbraw/zinc/56/97/48/608569748.db2.gz UEUOKMBCIBDSFI-UHFFFAOYSA-N -1 3 354.439 3.071 20 0 FGADHM Cc1cc(C(=O)Nc2nc3c(cc2-c2nn[n-]n2)CCCC3)c(C)s1 ZINC000826261164 608569750 /nfs/dbraw/zinc/56/97/50/608569750.db2.gz UEUOKMBCIBDSFI-UHFFFAOYSA-N -1 3 354.439 3.071 20 0 FGADHM CC(C)c1cc(C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc(=O)[nH]1 ZINC000824342064 608576431 /nfs/dbraw/zinc/57/64/31/608576431.db2.gz LSGMSROPKGLYKB-LLVKDONJSA-N -1 3 353.382 3.009 20 0 FGADHM CC(C)c1cc(C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc(=O)[nH]1 ZINC000824342064 608576433 /nfs/dbraw/zinc/57/64/33/608576433.db2.gz LSGMSROPKGLYKB-LLVKDONJSA-N -1 3 353.382 3.009 20 0 FGADHM C[C@@H]1CO[C@@H](c2ccccc2)[C@H](C)N1Cc1cccc(-c2nnn[n-]2)c1F ZINC000825005900 608647499 /nfs/dbraw/zinc/64/74/99/608647499.db2.gz DZAODLCULPCOFF-BIENJYKASA-N -1 3 367.428 3.356 20 0 FGADHM C[C@@H]1CO[C@@H](c2ccccc2)[C@H](C)N1Cc1cccc(-c2nn[n-]n2)c1F ZINC000825005900 608647500 /nfs/dbraw/zinc/64/75/00/608647500.db2.gz DZAODLCULPCOFF-BIENJYKASA-N -1 3 367.428 3.356 20 0 FGADHM CCn1c2ccccc2nc1[C@@H]1CCCN1Cc1ccc(-c2nnn[n-]2)o1 ZINC000825787566 608659630 /nfs/dbraw/zinc/65/96/30/608659630.db2.gz HZXLUSUTIDRFPB-INIZCTEOSA-N -1 3 363.425 3.166 20 0 FGADHM CCn1c2ccccc2nc1[C@@H]1CCCN1Cc1ccc(-c2nn[n-]n2)o1 ZINC000825787566 608659632 /nfs/dbraw/zinc/65/96/32/608659632.db2.gz HZXLUSUTIDRFPB-INIZCTEOSA-N -1 3 363.425 3.166 20 0 FGADHM Fc1c(CSc2nnc(C3CC3)n2C2CC2)cccc1-c1nnn[n-]1 ZINC000826371484 608670116 /nfs/dbraw/zinc/67/01/16/608670116.db2.gz HSSFMHBAUVNCEN-UHFFFAOYSA-N -1 3 357.418 3.102 20 0 FGADHM Fc1c(CSc2nnc(C3CC3)n2C2CC2)cccc1-c1nn[n-]n1 ZINC000826371484 608670117 /nfs/dbraw/zinc/67/01/17/608670117.db2.gz HSSFMHBAUVNCEN-UHFFFAOYSA-N -1 3 357.418 3.102 20 0 FGADHM CCc1ccc(N[C@H](C)C(=O)Nc2ccccc2-c2nnn[n-]2)cc1C ZINC000825718102 608753643 /nfs/dbraw/zinc/75/36/43/608753643.db2.gz VZUVAESMNXWUAQ-CYBMUJFWSA-N -1 3 350.426 3.177 20 0 FGADHM CCc1ccc(N[C@H](C)C(=O)Nc2ccccc2-c2nn[n-]n2)cc1C ZINC000825718102 608753647 /nfs/dbraw/zinc/75/36/47/608753647.db2.gz VZUVAESMNXWUAQ-CYBMUJFWSA-N -1 3 350.426 3.177 20 0 FGADHM Cc1csc(=Nc2ccccc2-c2nnn[n-]2)n1[C@H]1CCO[C@@H](C)C1 ZINC000826320461 608754393 /nfs/dbraw/zinc/75/43/93/608754393.db2.gz RLDKTXJKXUWUEH-STQMWFEESA-N -1 3 356.455 3.011 20 0 FGADHM Cc1csc(=Nc2ccccc2-c2nn[n-]n2)n1[C@H]1CCO[C@@H](C)C1 ZINC000826320461 608754395 /nfs/dbraw/zinc/75/43/95/608754395.db2.gz RLDKTXJKXUWUEH-STQMWFEESA-N -1 3 356.455 3.011 20 0 FGADHM c1ccc(OCc2ccc(CNc3cnccc3-c3nnn[n-]3)cc2)cc1 ZINC000826522762 608776197 /nfs/dbraw/zinc/77/61/97/608776197.db2.gz NCLGTYAOULSCGX-UHFFFAOYSA-N -1 3 358.405 3.453 20 0 FGADHM c1ccc(OCc2ccc(CNc3cnccc3-c3nn[n-]n3)cc2)cc1 ZINC000826522762 608776199 /nfs/dbraw/zinc/77/61/99/608776199.db2.gz NCLGTYAOULSCGX-UHFFFAOYSA-N -1 3 358.405 3.453 20 0 FGADHM C[C@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000825012164 608825189 /nfs/dbraw/zinc/82/51/89/608825189.db2.gz DRVCFZVOQFRRGB-STQMWFEESA-N -1 3 365.412 3.083 20 0 FGADHM C[C@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000825012164 608825192 /nfs/dbraw/zinc/82/51/92/608825192.db2.gz DRVCFZVOQFRRGB-STQMWFEESA-N -1 3 365.412 3.083 20 0 FGADHM Clc1cscc1CN1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826354080 608854289 /nfs/dbraw/zinc/85/42/89/608854289.db2.gz OWACBKZGWIEQTG-OAHLLOKOSA-N -1 3 361.858 3.155 20 0 FGADHM Clc1cscc1CN1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826354080 608854292 /nfs/dbraw/zinc/85/42/92/608854292.db2.gz OWACBKZGWIEQTG-OAHLLOKOSA-N -1 3 361.858 3.155 20 0 FGADHM Cc1nn(-c2ccc(F)cc2)c(C)c1CNc1ccc(-c2nn[n-]n2)cc1 ZINC000826332347 608865746 /nfs/dbraw/zinc/86/57/46/608865746.db2.gz QZJPWJXVGUCLSV-UHFFFAOYSA-N -1 3 363.400 3.420 20 0 FGADHM c1[nH]c(CNc2nc3ccccc3s2)nc1-c1cccc(-c2nnn[n-]2)c1 ZINC000826512755 608866359 /nfs/dbraw/zinc/86/63/59/608866359.db2.gz MOALYBKJJFVNLJ-UHFFFAOYSA-N -1 3 374.433 3.479 20 0 FGADHM c1[nH]c(CNc2nc3ccccc3s2)nc1-c1cccc(-c2nn[n-]n2)c1 ZINC000826512755 608866360 /nfs/dbraw/zinc/86/63/60/608866360.db2.gz MOALYBKJJFVNLJ-UHFFFAOYSA-N -1 3 374.433 3.479 20 0 FGADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)N1CCC[C@@H]1/C=C\c1ccccc1 ZINC000826422179 609137997 /nfs/dbraw/zinc/13/79/97/609137997.db2.gz PDFUSBWGVFSRTB-QTJNJRLBSA-N -1 3 359.433 3.114 20 0 FGADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)N1CCC[C@@H]1/C=C\c1ccccc1 ZINC000826422179 609138000 /nfs/dbraw/zinc/13/80/00/609138000.db2.gz PDFUSBWGVFSRTB-QTJNJRLBSA-N -1 3 359.433 3.114 20 0 FGADHM O=C(c1cc(-c2nnn[n-]2)cs1)N1CCC[C@H]1/C=C/c1ccccc1 ZINC000826470508 609139956 /nfs/dbraw/zinc/13/99/56/609139956.db2.gz SKTGNMQREMUOOG-HVHJFMEUSA-N -1 3 351.435 3.246 20 0 FGADHM O=C(c1cc(-c2nn[n-]n2)cs1)N1CCC[C@H]1/C=C/c1ccccc1 ZINC000826470508 609139958 /nfs/dbraw/zinc/13/99/58/609139958.db2.gz SKTGNMQREMUOOG-HVHJFMEUSA-N -1 3 351.435 3.246 20 0 FGADHM C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000824906946 609158207 /nfs/dbraw/zinc/15/82/07/609158207.db2.gz FSRYMUKRYJVANT-RKDXNWHRSA-N -1 3 372.326 3.201 20 0 FGADHM C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000824906946 609158208 /nfs/dbraw/zinc/15/82/08/609158208.db2.gz FSRYMUKRYJVANT-RKDXNWHRSA-N -1 3 372.326 3.201 20 0 FGADHM COc1ccc(N[C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)cc1OC ZINC000826210371 609161517 /nfs/dbraw/zinc/16/15/17/609161517.db2.gz ONUNENWAPLKBOG-INIZCTEOSA-N -1 3 351.410 3.373 20 0 FGADHM COc1ccc(N[C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)cc1OC ZINC000826210371 609161519 /nfs/dbraw/zinc/16/15/19/609161519.db2.gz ONUNENWAPLKBOG-INIZCTEOSA-N -1 3 351.410 3.373 20 0 FGADHM COCCCCC(=O)Nc1c(-c2nnn[n-]2)c(C)c(C)n1-c1ccccc1 ZINC000826156260 609167660 /nfs/dbraw/zinc/16/76/60/609167660.db2.gz VZCBWXAGHMEWNF-UHFFFAOYSA-N -1 3 368.441 3.029 20 0 FGADHM COCCCCC(=O)Nc1c(-c2nn[n-]n2)c(C)c(C)n1-c1ccccc1 ZINC000826156260 609167661 /nfs/dbraw/zinc/16/76/61/609167661.db2.gz VZCBWXAGHMEWNF-UHFFFAOYSA-N -1 3 368.441 3.029 20 0 FGADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)c2ncccc2C)c1-c1nnn[n-]1 ZINC000826307927 609169060 /nfs/dbraw/zinc/16/90/60/609169060.db2.gz BUJUGZGCXKJBNT-UHFFFAOYSA-N -1 3 373.420 3.230 20 0 FGADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)c2ncccc2C)c1-c1nn[n-]n1 ZINC000826307927 609169061 /nfs/dbraw/zinc/16/90/61/609169061.db2.gz BUJUGZGCXKJBNT-UHFFFAOYSA-N -1 3 373.420 3.230 20 0 FGADHM CC(C)C[C@H]1C[C@H](Nc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)CCO1 ZINC000824245308 609171144 /nfs/dbraw/zinc/17/11/44/609171144.db2.gz XQWFYHPTQSGKKI-MNOVXSKESA-N -1 3 370.379 3.286 20 0 FGADHM CC(C)C[C@H]1C[C@H](Nc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)CCO1 ZINC000824245308 609171145 /nfs/dbraw/zinc/17/11/45/609171145.db2.gz XQWFYHPTQSGKKI-MNOVXSKESA-N -1 3 370.379 3.286 20 0 FGADHM CCNc1ccc(-c2nn[n-]n2)cc1NCc1noc(-c2cccs2)n1 ZINC000825481430 609178194 /nfs/dbraw/zinc/17/81/94/609178194.db2.gz YTISHCYMRQNMNI-UHFFFAOYSA-N -1 3 368.426 3.022 20 0 FGADHM Fc1ccc(-c2nnn[n-]2)cc1COc1cc(Br)ccc1F ZINC000826373475 609182506 /nfs/dbraw/zinc/18/25/06/609182506.db2.gz NMYOVAFMDUMVQE-UHFFFAOYSA-N -1 3 367.153 3.486 20 0 FGADHM Fc1ccc(-c2nn[n-]n2)cc1COc1cc(Br)ccc1F ZINC000826373475 609182508 /nfs/dbraw/zinc/18/25/08/609182508.db2.gz NMYOVAFMDUMVQE-UHFFFAOYSA-N -1 3 367.153 3.486 20 0 FGADHM COc1c(C)cnc(CSCc2ccc(F)cc2-c2nnn[n-]2)c1C ZINC000826166887 609183440 /nfs/dbraw/zinc/18/34/40/609183440.db2.gz GJKWAMBMRWFURX-UHFFFAOYSA-N -1 3 359.430 3.460 20 0 FGADHM COc1c(C)cnc(CSCc2ccc(F)cc2-c2nn[n-]n2)c1C ZINC000826166887 609183442 /nfs/dbraw/zinc/18/34/42/609183442.db2.gz GJKWAMBMRWFURX-UHFFFAOYSA-N -1 3 359.430 3.460 20 0 FGADHM C[C@@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1c(Cl)ccc(F)c1Cl ZINC000824506263 609199142 /nfs/dbraw/zinc/19/91/42/609199142.db2.gz NBWJYMPEVRTJMO-ZCFIWIBFSA-N -1 3 369.187 3.132 20 0 FGADHM C[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1c(Cl)ccc(F)c1Cl ZINC000824506263 609199143 /nfs/dbraw/zinc/19/91/43/609199143.db2.gz NBWJYMPEVRTJMO-ZCFIWIBFSA-N -1 3 369.187 3.132 20 0 FGADHM CC[C@@H](C)Oc1cc(C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)ccn1 ZINC000825075292 609234197 /nfs/dbraw/zinc/23/41/97/609234197.db2.gz OJJWQWHUWWKEGU-OLZOCXBDSA-N -1 3 367.409 3.357 20 0 FGADHM CC[C@@H](C)Oc1cc(C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)ccn1 ZINC000825075292 609234199 /nfs/dbraw/zinc/23/41/99/609234199.db2.gz OJJWQWHUWWKEGU-OLZOCXBDSA-N -1 3 367.409 3.357 20 0 FGADHM Cc1cc(C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)nn1[C@H](C)C1CC1 ZINC000826260936 609256247 /nfs/dbraw/zinc/25/62/47/609256247.db2.gz KKNLDYKWKXXVSV-OLZOCXBDSA-N -1 3 366.425 3.261 20 0 FGADHM Cc1cc(C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)nn1[C@H](C)C1CC1 ZINC000826260936 609256249 /nfs/dbraw/zinc/25/62/49/609256249.db2.gz KKNLDYKWKXXVSV-OLZOCXBDSA-N -1 3 366.425 3.261 20 0 FGADHM CC[C@H](C)Oc1cc(C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)ccn1 ZINC000825075556 609256281 /nfs/dbraw/zinc/25/62/81/609256281.db2.gz PQGAVEJKQWTOFP-STQMWFEESA-N -1 3 367.409 3.357 20 0 FGADHM CC[C@H](C)Oc1cc(C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)ccn1 ZINC000825075556 609256283 /nfs/dbraw/zinc/25/62/83/609256283.db2.gz PQGAVEJKQWTOFP-STQMWFEESA-N -1 3 367.409 3.357 20 0 FGADHM O=C(NC1CC1)c1cccc(N[C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)c1 ZINC000826428594 609274553 /nfs/dbraw/zinc/27/45/53/609274553.db2.gz GNLCEOUUWPIHRY-IBGZPJMESA-N -1 3 374.448 3.248 20 0 FGADHM O=C(NC1CC1)c1cccc(N[C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)c1 ZINC000826428594 609274554 /nfs/dbraw/zinc/27/45/54/609274554.db2.gz GNLCEOUUWPIHRY-IBGZPJMESA-N -1 3 374.448 3.248 20 0 FGADHM Cn1nccc1CNc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000826366306 609276555 /nfs/dbraw/zinc/27/65/55/609276555.db2.gz BJBUJNNCTADBGJ-UHFFFAOYSA-N -1 3 365.372 3.144 20 0 FGADHM Cn1nccc1CNc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000826366306 609276557 /nfs/dbraw/zinc/27/65/57/609276557.db2.gz BJBUJNNCTADBGJ-UHFFFAOYSA-N -1 3 365.372 3.144 20 0 FGADHM C[C@@H](Nc1ccc(N2CCOCC2)c(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824657928 609277662 /nfs/dbraw/zinc/27/76/62/609277662.db2.gz SQHLTEQYNRBJHT-CYBMUJFWSA-N -1 3 368.416 3.016 20 0 FGADHM C[C@@H](Nc1ccc(N2CCOCC2)c(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824657928 609277664 /nfs/dbraw/zinc/27/76/64/609277664.db2.gz SQHLTEQYNRBJHT-CYBMUJFWSA-N -1 3 368.416 3.016 20 0 FGADHM Cc1ccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1C(=O)N(C)C ZINC000826291632 609280291 /nfs/dbraw/zinc/28/02/91/609280291.db2.gz OLYMFJTXTSYHEF-ZDUSSCGKSA-N -1 3 350.426 3.050 20 0 FGADHM Cc1ccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1C(=O)N(C)C ZINC000826291632 609280292 /nfs/dbraw/zinc/28/02/92/609280292.db2.gz OLYMFJTXTSYHEF-ZDUSSCGKSA-N -1 3 350.426 3.050 20 0 FGADHM Cc1ccc(N2CCOC2=O)cc1N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826290559 609280339 /nfs/dbraw/zinc/28/03/39/609280339.db2.gz QHGULLGCIMUQBG-ZDUSSCGKSA-N -1 3 364.409 3.305 20 0 FGADHM Cc1ccc(N2CCOC2=O)cc1N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826290559 609280340 /nfs/dbraw/zinc/28/03/40/609280340.db2.gz QHGULLGCIMUQBG-ZDUSSCGKSA-N -1 3 364.409 3.305 20 0 FGADHM O=C(N[C@H]1CCC[C@H](C(F)(F)F)C1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826430040 609287354 /nfs/dbraw/zinc/28/73/54/609287354.db2.gz SBVCEJGMQYVASS-UWVGGRQHSA-N -1 3 373.766 3.371 20 0 FGADHM O=C(N[C@H]1CCC[C@H](C(F)(F)F)C1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826430040 609287355 /nfs/dbraw/zinc/28/73/55/609287355.db2.gz SBVCEJGMQYVASS-UWVGGRQHSA-N -1 3 373.766 3.371 20 0 FGADHM O=C(c1ccc(Cl)c(-c2nnn[n-]2)c1)N1CCC[C@@H]1Cc1ccccc1 ZINC000826473312 609287752 /nfs/dbraw/zinc/28/77/52/609287752.db2.gz SKMJCKACUGLIEY-OAHLLOKOSA-N -1 3 367.840 3.367 20 0 FGADHM O=C(c1ccc(Cl)c(-c2nn[n-]n2)c1)N1CCC[C@@H]1Cc1ccccc1 ZINC000826473312 609287754 /nfs/dbraw/zinc/28/77/54/609287754.db2.gz SKMJCKACUGLIEY-OAHLLOKOSA-N -1 3 367.840 3.367 20 0 FGADHM CN(CCCOc1ccccc1)C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000825923629 609288616 /nfs/dbraw/zinc/28/86/16/609288616.db2.gz PFTHZNKTHGAHBK-UHFFFAOYSA-N -1 3 371.828 3.061 20 0 FGADHM CN(CCCOc1ccccc1)C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000825923629 609288617 /nfs/dbraw/zinc/28/86/17/609288617.db2.gz PFTHZNKTHGAHBK-UHFFFAOYSA-N -1 3 371.828 3.061 20 0 FGADHM O=C(N[C@H]1CCCOc2ccccc21)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826430867 609290276 /nfs/dbraw/zinc/29/02/76/609290276.db2.gz LWEHRXGDUINCFC-HNNXBMFYSA-N -1 3 369.812 3.164 20 0 FGADHM O=C(N[C@H]1CCCOc2ccccc21)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826430867 609290277 /nfs/dbraw/zinc/29/02/77/609290277.db2.gz LWEHRXGDUINCFC-HNNXBMFYSA-N -1 3 369.812 3.164 20 0 FGADHM C[C@@H]1CN(C(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)[C@H]1c1ccccc1 ZINC000824974529 609291474 /nfs/dbraw/zinc/29/14/74/609291474.db2.gz APFNKIQTPFOSSW-BDJLRTHQSA-N -1 3 353.813 3.353 20 0 FGADHM C[C@@H]1CN(C(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)[C@H]1c1ccccc1 ZINC000824974529 609291475 /nfs/dbraw/zinc/29/14/75/609291475.db2.gz APFNKIQTPFOSSW-BDJLRTHQSA-N -1 3 353.813 3.353 20 0 FGADHM C[C@H]1CN(C(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)[C@H]1c1ccccc1 ZINC000824974531 609291527 /nfs/dbraw/zinc/29/15/27/609291527.db2.gz APFNKIQTPFOSSW-MEDUHNTESA-N -1 3 353.813 3.353 20 0 FGADHM C[C@H]1CN(C(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)[C@H]1c1ccccc1 ZINC000824974531 609291528 /nfs/dbraw/zinc/29/15/28/609291528.db2.gz APFNKIQTPFOSSW-MEDUHNTESA-N -1 3 353.813 3.353 20 0 FGADHM O=C(OCc1cccnc1)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826467496 609303724 /nfs/dbraw/zinc/30/37/24/609303724.db2.gz YTQJWHOKWWFXQW-UHFFFAOYSA-N -1 3 373.372 3.411 20 0 FGADHM O=C(OCc1cccnc1)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826467496 609303725 /nfs/dbraw/zinc/30/37/25/609303725.db2.gz YTQJWHOKWWFXQW-UHFFFAOYSA-N -1 3 373.372 3.411 20 0 FGADHM CC(C)(C)OC(=O)N1CCC(Sc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824103727 609308404 /nfs/dbraw/zinc/30/84/04/609308404.db2.gz IXCQILFTXZICMK-UHFFFAOYSA-N -1 3 361.471 3.358 20 0 FGADHM CC(C)(C)OC(=O)N1CCC(Sc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824103727 609308406 /nfs/dbraw/zinc/30/84/06/609308406.db2.gz IXCQILFTXZICMK-UHFFFAOYSA-N -1 3 361.471 3.358 20 0 FGADHM CC(C)(C)OCC(=O)Nc1sc(-c2ccccc2)cc1-c1nnn[n-]1 ZINC000824119070 609313951 /nfs/dbraw/zinc/31/39/51/609313951.db2.gz AZSAQBITNSJNBN-UHFFFAOYSA-N -1 3 357.439 3.349 20 0 FGADHM CC(C)(C)OCC(=O)Nc1sc(-c2ccccc2)cc1-c1nn[n-]n1 ZINC000824119070 609313953 /nfs/dbraw/zinc/31/39/53/609313953.db2.gz AZSAQBITNSJNBN-UHFFFAOYSA-N -1 3 357.439 3.349 20 0 FGADHM CC1(C)C[C@@H](Nc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)C(C)(C)O1 ZINC000824788857 609318833 /nfs/dbraw/zinc/31/88/33/609318833.db2.gz COYYNAUXWFAVSG-SNVBAGLBSA-N -1 3 356.352 3.039 20 0 FGADHM CC1(C)C[C@@H](Nc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)C(C)(C)O1 ZINC000824788857 609318835 /nfs/dbraw/zinc/31/88/35/609318835.db2.gz COYYNAUXWFAVSG-SNVBAGLBSA-N -1 3 356.352 3.039 20 0 FGADHM CCC(CC)[C@@H]1C[C@H](Nc2c(-c3nnn[n-]3)cnc3ccccc32)CCO1 ZINC000825107074 609322468 /nfs/dbraw/zinc/32/24/68/609322468.db2.gz KTHBOFUVLMTZKN-KDOFPFPSSA-N -1 3 366.469 3.233 20 0 FGADHM CCC(CC)[C@@H]1C[C@H](Nc2c(-c3nn[n-]n3)cnc3ccccc32)CCO1 ZINC000825107074 609322470 /nfs/dbraw/zinc/32/24/70/609322470.db2.gz KTHBOFUVLMTZKN-KDOFPFPSSA-N -1 3 366.469 3.233 20 0 FGADHM CN(C[C@H]1CCCC[C@@H]1O)c1c(-c2nnn[n-]2)cnc2ccc(Cl)cc21 ZINC000825908356 609324054 /nfs/dbraw/zinc/32/40/54/609324054.db2.gz GVSSAAIQRJQSEW-BZNIZROVSA-N -1 3 372.860 3.056 20 0 FGADHM CN(C[C@H]1CCCC[C@@H]1O)c1c(-c2nn[n-]n2)cnc2ccc(Cl)cc21 ZINC000825908356 609324056 /nfs/dbraw/zinc/32/40/56/609324056.db2.gz GVSSAAIQRJQSEW-BZNIZROVSA-N -1 3 372.860 3.056 20 0 FGADHM C[C@@H]1CN(C(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)C[C@H]1C ZINC000824977844 609325554 /nfs/dbraw/zinc/32/55/54/609325554.db2.gz SKDAITJLLCJCGG-ZIAGYGMSSA-N -1 3 363.421 3.387 20 0 FGADHM C[C@@H]1CN(C(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)C[C@H]1C ZINC000824977844 609325556 /nfs/dbraw/zinc/32/55/56/609325556.db2.gz SKDAITJLLCJCGG-ZIAGYGMSSA-N -1 3 363.421 3.387 20 0 FGADHM CCN(C(=O)[C@H](F)Cc1ccccc1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825366841 609332562 /nfs/dbraw/zinc/33/25/62/609332562.db2.gz GUWVYFFDJCZZDC-MRXNPFEDSA-N -1 3 373.819 3.454 20 0 FGADHM CCN(C(=O)[C@H](F)Cc1ccccc1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825366841 609332564 /nfs/dbraw/zinc/33/25/64/609332564.db2.gz GUWVYFFDJCZZDC-MRXNPFEDSA-N -1 3 373.819 3.454 20 0 FGADHM CCCCCC(=O)OCc1ccc(-c2nnn[n-]2)cc1Br ZINC000825267754 609336965 /nfs/dbraw/zinc/33/69/65/609336965.db2.gz MWHBNVLJHCXHSW-UHFFFAOYSA-N -1 3 353.220 3.253 20 0 FGADHM CCCCCC(=O)OCc1ccc(-c2nn[n-]n2)cc1Br ZINC000825267754 609336966 /nfs/dbraw/zinc/33/69/66/609336966.db2.gz MWHBNVLJHCXHSW-UHFFFAOYSA-N -1 3 353.220 3.253 20 0 FGADHM C[C@@H](N[C@H]1CCOc2ccc(F)cc21)c1ccc(-c2nnn[n-]2)cc1F ZINC000824554161 609340976 /nfs/dbraw/zinc/34/09/76/609340976.db2.gz NFHCGTXABMVWRD-HWPZZCPQSA-N -1 3 357.364 3.319 20 0 FGADHM C[C@@H](N[C@H]1CCOc2ccc(F)cc21)c1ccc(-c2nn[n-]n2)cc1F ZINC000824554161 609340977 /nfs/dbraw/zinc/34/09/77/609340977.db2.gz NFHCGTXABMVWRD-HWPZZCPQSA-N -1 3 357.364 3.319 20 0 FGADHM C[C@@H](N[C@@H]1COc2c1cccc2Cl)c1ccc(-c2nnn[n-]2)cc1F ZINC000824555531 609343923 /nfs/dbraw/zinc/34/39/23/609343923.db2.gz XENMHOKBWUTMNJ-RFAUZJTJSA-N -1 3 359.792 3.444 20 0 FGADHM C[C@@H](N[C@@H]1COc2c1cccc2Cl)c1ccc(-c2nn[n-]n2)cc1F ZINC000824555531 609343924 /nfs/dbraw/zinc/34/39/24/609343924.db2.gz XENMHOKBWUTMNJ-RFAUZJTJSA-N -1 3 359.792 3.444 20 0 FGADHM C[C@@H]1CCC[C@H](Nc2ccc(N3CCC(O)CC3)c(-c3nnn[n-]3)c2)[C@H]1C ZINC000824927076 609347797 /nfs/dbraw/zinc/34/77/97/609347797.db2.gz LZJUWBRWMIPDQL-GLJUWKHASA-N -1 3 370.501 3.064 20 0 FGADHM C[C@@H]1CCC[C@H](Nc2ccc(N3CCC(O)CC3)c(-c3nn[n-]n3)c2)[C@H]1C ZINC000824927076 609347799 /nfs/dbraw/zinc/34/77/99/609347799.db2.gz LZJUWBRWMIPDQL-GLJUWKHASA-N -1 3 370.501 3.064 20 0 FGADHM COc1cc(OC)c(OC)cc1N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1F ZINC000826181246 609349416 /nfs/dbraw/zinc/34/94/16/609349416.db2.gz QYMZZXNIYPPRRZ-JTQLQIEISA-N -1 3 373.388 3.205 20 0 FGADHM COc1cc(OC)c(OC)cc1N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1F ZINC000826181246 609349418 /nfs/dbraw/zinc/34/94/18/609349418.db2.gz QYMZZXNIYPPRRZ-JTQLQIEISA-N -1 3 373.388 3.205 20 0 FGADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)N[C@H](CC1CCC1)c1ccccc1 ZINC000826422453 609350777 /nfs/dbraw/zinc/35/07/77/609350777.db2.gz ZJKYRIGHWMILKO-LJQANCHMSA-N -1 3 361.449 3.457 20 0 FGADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)N[C@H](CC1CCC1)c1ccccc1 ZINC000826422453 609350780 /nfs/dbraw/zinc/35/07/80/609350780.db2.gz ZJKYRIGHWMILKO-LJQANCHMSA-N -1 3 361.449 3.457 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C[C@@H]1CCO[C@H](C(C)C)C1 ZINC000825621867 609378340 /nfs/dbraw/zinc/37/83/40/609378340.db2.gz ZQQKFYFXDRNAJY-DYVFJYSZSA-N -1 3 373.457 3.045 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C[C@@H]1CCO[C@H](C(C)C)C1 ZINC000825621867 609378341 /nfs/dbraw/zinc/37/83/41/609378341.db2.gz ZQQKFYFXDRNAJY-DYVFJYSZSA-N -1 3 373.457 3.045 20 0 FGADHM CC(C)[C@@H]1C[C@@H](CC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)CCO1 ZINC000824213895 609393136 /nfs/dbraw/zinc/39/31/36/609393136.db2.gz DGLQJYXPMSDMDW-NHYWBVRUSA-N -1 3 363.849 3.300 20 0 FGADHM CC(C)[C@@H]1C[C@@H](CC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)CCO1 ZINC000824213895 609393138 /nfs/dbraw/zinc/39/31/38/609393138.db2.gz DGLQJYXPMSDMDW-NHYWBVRUSA-N -1 3 363.849 3.300 20 0 FGADHM CC[C@H]1C[C@@H](CC(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)CCO1 ZINC000825181116 609394110 /nfs/dbraw/zinc/39/41/10/609394110.db2.gz CBSGZNYJHLJLIH-ZFWWWQNUSA-N -1 3 373.457 3.188 20 0 FGADHM CC[C@H]1C[C@@H](CC(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)CCO1 ZINC000825181116 609394111 /nfs/dbraw/zinc/39/41/11/609394111.db2.gz CBSGZNYJHLJLIH-ZFWWWQNUSA-N -1 3 373.457 3.188 20 0 FGADHM CC(=O)c1ccc(-c2nnn[n-]2)cc1N(C)CCOc1ccc(Cl)cc1 ZINC000824015191 609419212 /nfs/dbraw/zinc/41/92/12/609419212.db2.gz SDGXSFJJITWMKM-UHFFFAOYSA-N -1 3 371.828 3.238 20 0 FGADHM CC(=O)c1ccc(-c2nn[n-]n2)cc1N(C)CCOc1ccc(Cl)cc1 ZINC000824015191 609419214 /nfs/dbraw/zinc/41/92/14/609419214.db2.gz SDGXSFJJITWMKM-UHFFFAOYSA-N -1 3 371.828 3.238 20 0 FGADHM CCc1csc([C@@H]2CCCN(c3ccc(F)cc3-c3nnn[n-]3)C2)n1 ZINC000825740207 609425288 /nfs/dbraw/zinc/42/52/88/609425288.db2.gz RBSPXLUVXGZEDX-LLVKDONJSA-N -1 3 358.446 3.409 20 0 FGADHM CCc1csc([C@@H]2CCCN(c3ccc(F)cc3-c3nn[n-]n3)C2)n1 ZINC000825740207 609425290 /nfs/dbraw/zinc/42/52/90/609425290.db2.gz RBSPXLUVXGZEDX-LLVKDONJSA-N -1 3 358.446 3.409 20 0 FGADHM O=C(Nc1ccccc1)c1ccc(Oc2ncccc2-c2nnn[n-]2)cc1 ZINC000826457287 609435555 /nfs/dbraw/zinc/43/55/55/609435555.db2.gz VBXQXQQFRVBDJZ-UHFFFAOYSA-N -1 3 358.361 3.306 20 0 FGADHM O=C(Nc1ccc(OCC2CCCCC2)cc1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826454989 609451640 /nfs/dbraw/zinc/45/16/40/609451640.db2.gz UTMJHDPRHCUMLN-UHFFFAOYSA-N -1 3 366.425 3.406 20 0 FGADHM O=C(Nc1ccc(OCC2CCCCC2)cc1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826454989 609451641 /nfs/dbraw/zinc/45/16/41/609451641.db2.gz UTMJHDPRHCUMLN-UHFFFAOYSA-N -1 3 366.425 3.406 20 0 FGADHM C[C@@H]1CN(C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)[C@@H]2CCCC[C@H]21 ZINC000824975789 609454215 /nfs/dbraw/zinc/45/42/15/609454215.db2.gz LHIMOYUOEHFYTP-VHDGCEQUSA-N -1 3 371.489 3.466 20 0 FGADHM C[C@@H]1CN(C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)[C@@H]2CCCC[C@H]21 ZINC000824975789 609454216 /nfs/dbraw/zinc/45/42/16/609454216.db2.gz LHIMOYUOEHFYTP-VHDGCEQUSA-N -1 3 371.489 3.466 20 0 FGADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1csc2ccccc12 ZINC000824753037 609456187 /nfs/dbraw/zinc/45/61/87/609456187.db2.gz BJPVYKJMMFVRTC-LLVKDONJSA-N -1 3 365.418 3.487 20 0 FGADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1csc2ccccc12 ZINC000824753037 609456189 /nfs/dbraw/zinc/45/61/89/609456189.db2.gz BJPVYKJMMFVRTC-LLVKDONJSA-N -1 3 365.418 3.487 20 0 FGADHM CC(C)Oc1cccc([C@H](C)Nc2nc3ccccn3c2-c2nnn[n-]2)c1 ZINC000824333420 609461378 /nfs/dbraw/zinc/46/13/78/609461378.db2.gz JMGPKRMWVILOAD-ZDUSSCGKSA-N -1 3 363.425 3.475 20 0 FGADHM CC(C)Oc1cccc([C@H](C)Nc2nc3ccccn3c2-c2nn[n-]n2)c1 ZINC000824333420 609461380 /nfs/dbraw/zinc/46/13/80/609461380.db2.gz JMGPKRMWVILOAD-ZDUSSCGKSA-N -1 3 363.425 3.475 20 0 FGADHM CCOC(=O)C=Cc1ccc(NCc2cccc(-c3nnn[n-]3)c2F)cc1 ZINC000825499893 609475871 /nfs/dbraw/zinc/47/58/71/609475871.db2.gz XERBFDHRESZXMZ-FLIBITNWSA-N -1 3 367.384 3.194 20 0 FGADHM CCOC(=O)C=Cc1ccc(NCc2cccc(-c3nn[n-]n3)c2F)cc1 ZINC000825499893 609475873 /nfs/dbraw/zinc/47/58/73/609475873.db2.gz XERBFDHRESZXMZ-FLIBITNWSA-N -1 3 367.384 3.194 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1CNc1cc(F)c(SC)c(F)c1 ZINC000826170456 609480968 /nfs/dbraw/zinc/48/09/68/609480968.db2.gz ALZZKHWPFTUNGB-UHFFFAOYSA-N -1 3 363.393 3.488 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1CNc1cc(F)c(SC)c(F)c1 ZINC000826170456 609480970 /nfs/dbraw/zinc/48/09/70/609480970.db2.gz ALZZKHWPFTUNGB-UHFFFAOYSA-N -1 3 363.393 3.488 20 0 FGADHM Fc1ccc(OC(F)F)c(NCc2cccc(-c3nnn[n-]3)c2F)c1 ZINC000826375118 609481974 /nfs/dbraw/zinc/48/19/74/609481974.db2.gz AKRIWQWWORYCOM-UHFFFAOYSA-N -1 3 353.279 3.358 20 0 FGADHM Fc1ccc(OC(F)F)c(NCc2cccc(-c3nn[n-]n3)c2F)c1 ZINC000826375118 609481977 /nfs/dbraw/zinc/48/19/77/609481977.db2.gz AKRIWQWWORYCOM-UHFFFAOYSA-N -1 3 353.279 3.358 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NCc1ccc(OC(F)F)c(F)c1 ZINC000826186854 609482219 /nfs/dbraw/zinc/48/22/19/609482219.db2.gz MUXLAWCCSOWUJL-UHFFFAOYSA-N -1 3 365.315 3.228 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NCc1ccc(OC(F)F)c(F)c1 ZINC000826186854 609482221 /nfs/dbraw/zinc/48/22/21/609482221.db2.gz MUXLAWCCSOWUJL-UHFFFAOYSA-N -1 3 365.315 3.228 20 0 FGADHM CCOC(=O)Nc1ccc(NCc2sccc2OC)cc1-c1nnn[n-]1 ZINC000825552961 609490457 /nfs/dbraw/zinc/49/04/57/609490457.db2.gz GOGYWNLHHHGMAC-UHFFFAOYSA-N -1 3 374.426 3.117 20 0 FGADHM CCOC(=O)Nc1ccc(NCc2sccc2OC)cc1-c1nn[n-]n1 ZINC000825552961 609490458 /nfs/dbraw/zinc/49/04/58/609490458.db2.gz GOGYWNLHHHGMAC-UHFFFAOYSA-N -1 3 374.426 3.117 20 0 FGADHM Cc1cc(F)ccc1CSCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000826268975 609490840 /nfs/dbraw/zinc/49/08/40/609490840.db2.gz WDLCNADSDFDUOM-UHFFFAOYSA-N -1 3 357.414 3.186 20 0 FGADHM Cc1cc(F)ccc1CSCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000826268975 609490843 /nfs/dbraw/zinc/49/08/43/609490843.db2.gz WDLCNADSDFDUOM-UHFFFAOYSA-N -1 3 357.414 3.186 20 0 FGADHM CCN(C(=O)c1ncc(C)cc1C)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825390298 609523798 /nfs/dbraw/zinc/52/37/98/609523798.db2.gz CTTJHDXQAPJJEN-CQSZACIVSA-N -1 3 350.426 3.102 20 0 FGADHM CCN(C(=O)c1ncc(C)cc1C)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825390298 609523799 /nfs/dbraw/zinc/52/37/99/609523799.db2.gz CTTJHDXQAPJJEN-CQSZACIVSA-N -1 3 350.426 3.102 20 0 FGADHM Cc1c(Cl)cnc(NC[C@H]2CCCO[C@H]2C(C)(C)C)c1-c1nnn[n-]1 ZINC000826239645 609557258 /nfs/dbraw/zinc/55/72/58/609557258.db2.gz MURFLTZSMDMXKQ-BXUZGUMPSA-N -1 3 364.881 3.477 20 0 FGADHM Cc1c(Cl)cnc(NC[C@H]2CCCO[C@H]2C(C)(C)C)c1-c1nn[n-]n1 ZINC000826239645 609557260 /nfs/dbraw/zinc/55/72/60/609557260.db2.gz MURFLTZSMDMXKQ-BXUZGUMPSA-N -1 3 364.881 3.477 20 0 FGADHM O=C(Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1)C1=CCC1 ZINC000826454902 609558754 /nfs/dbraw/zinc/55/87/54/609558754.db2.gz PZEMWZMSCLCKEA-UHFFFAOYSA-N -1 3 365.368 3.244 20 0 FGADHM O=C(Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1)C1=CCC1 ZINC000826454902 609558756 /nfs/dbraw/zinc/55/87/56/609558756.db2.gz PZEMWZMSCLCKEA-UHFFFAOYSA-N -1 3 365.368 3.244 20 0 FGADHM Cc1cc(Nc2cccc(-c3nnn[n-]3)n2)cnc1N1CCCC[C@@H]1C ZINC000826271378 609563299 /nfs/dbraw/zinc/56/32/99/609563299.db2.gz OQBZKLNIGALMCI-ZDUSSCGKSA-N -1 3 350.430 3.088 20 0 FGADHM Cc1cc(Nc2cccc(-c3nn[n-]n3)n2)cnc1N1CCCC[C@@H]1C ZINC000826271378 609563300 /nfs/dbraw/zinc/56/33/00/609563300.db2.gz OQBZKLNIGALMCI-ZDUSSCGKSA-N -1 3 350.430 3.088 20 0 FGADHM Cc1nc2c(s1)[C@@H](Nc1nc3c(cc1-c1nnn[n-]1)CCC3)CCC2 ZINC000826328532 609566091 /nfs/dbraw/zinc/56/60/91/609566091.db2.gz UXOJTCVGQQZALD-AWEZNQCLSA-N -1 3 353.455 3.005 20 0 FGADHM Cc1nc2c(s1)[C@@H](Nc1nc3c(cc1-c1nn[n-]n1)CCC3)CCC2 ZINC000826328532 609566093 /nfs/dbraw/zinc/56/60/93/609566093.db2.gz UXOJTCVGQQZALD-AWEZNQCLSA-N -1 3 353.455 3.005 20 0 FGADHM CCCN(CCc1ccccn1)c1ncc(Cl)c(C)c1-c1nnn[n-]1 ZINC000825313500 609568076 /nfs/dbraw/zinc/56/80/76/609568076.db2.gz HUKVNNAUTHKEHW-UHFFFAOYSA-N -1 3 357.849 3.078 20 0 FGADHM CCCN(CCc1ccccn1)c1ncc(Cl)c(C)c1-c1nn[n-]n1 ZINC000825313500 609568078 /nfs/dbraw/zinc/56/80/78/609568078.db2.gz HUKVNNAUTHKEHW-UHFFFAOYSA-N -1 3 357.849 3.078 20 0 FGADHM Cc1c(Cl)cnc(NCc2c(F)c(F)cc(F)c2F)c1-c1nnn[n-]1 ZINC000826240309 609572503 /nfs/dbraw/zinc/57/25/03/609572503.db2.gz MIBDJULCEDHUFO-UHFFFAOYSA-N -1 3 372.713 3.392 20 0 FGADHM Cc1c(Cl)cnc(NCc2c(F)c(F)cc(F)c2F)c1-c1nn[n-]n1 ZINC000826240309 609572505 /nfs/dbraw/zinc/57/25/05/609572505.db2.gz MIBDJULCEDHUFO-UHFFFAOYSA-N -1 3 372.713 3.392 20 0 FGADHM Cc1ccc(CNc2nccc(C)c2-c2nnn[n-]2)c(OCC2CC2)c1 ZINC000826288482 609574213 /nfs/dbraw/zinc/57/42/13/609574213.db2.gz IVHNLFDGVZTFST-UHFFFAOYSA-N -1 3 350.426 3.279 20 0 FGADHM Cc1ccc(CNc2nccc(C)c2-c2nn[n-]n2)c(OCC2CC2)c1 ZINC000826288482 609574215 /nfs/dbraw/zinc/57/42/15/609574215.db2.gz IVHNLFDGVZTFST-UHFFFAOYSA-N -1 3 350.426 3.279 20 0 FGADHM Cc1c(Cl)cnc(NCC(C)(C)[C@H]2CCCCO2)c1-c1nnn[n-]1 ZINC000826239591 609575262 /nfs/dbraw/zinc/57/52/62/609575262.db2.gz LGJLZFBFCXLQJD-GFCCVEGCSA-N -1 3 350.854 3.231 20 0 FGADHM Cc1c(Cl)cnc(NCC(C)(C)[C@H]2CCCCO2)c1-c1nn[n-]n1 ZINC000826239591 609575265 /nfs/dbraw/zinc/57/52/65/609575265.db2.gz LGJLZFBFCXLQJD-GFCCVEGCSA-N -1 3 350.854 3.231 20 0 FGADHM Cc1c(Cl)cnc(NCc2ccc(OC(C)(C)C)nc2)c1-c1nnn[n-]1 ZINC000826240504 609586598 /nfs/dbraw/zinc/58/65/98/609586598.db2.gz WXRNCKPKWLDFPQ-UHFFFAOYSA-N -1 3 373.848 3.408 20 0 FGADHM Cc1c(Cl)cnc(NCc2ccc(OC(C)(C)C)nc2)c1-c1nn[n-]n1 ZINC000826240504 609586600 /nfs/dbraw/zinc/58/66/00/609586600.db2.gz WXRNCKPKWLDFPQ-UHFFFAOYSA-N -1 3 373.848 3.408 20 0 FGADHM C[C@@H]1C[C@H](CCNc2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)CCO1 ZINC000824886402 609596594 /nfs/dbraw/zinc/59/65/94/609596594.db2.gz YHSOQBKJSVMTKZ-GHMZBOCLSA-N -1 3 374.395 3.310 20 0 FGADHM C[C@@H]1C[C@H](CCNc2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)CCO1 ZINC000824886402 609596597 /nfs/dbraw/zinc/59/65/97/609596597.db2.gz YHSOQBKJSVMTKZ-GHMZBOCLSA-N -1 3 374.395 3.310 20 0 FGADHM Cc1cccc(N2CCN(c3cccc(Cl)c3-c3nnn[n-]3)CC2)c1 ZINC000826298635 609607062 /nfs/dbraw/zinc/60/70/62/609607062.db2.gz BHZJVVOPCOYVKI-UHFFFAOYSA-N -1 3 354.845 3.155 20 0 FGADHM Cc1cccc(N2CCN(c3cccc(Cl)c3-c3nn[n-]n3)CC2)c1 ZINC000826298635 609607064 /nfs/dbraw/zinc/60/70/64/609607064.db2.gz BHZJVVOPCOYVKI-UHFFFAOYSA-N -1 3 354.845 3.155 20 0 FGADHM COc1cccc([C@H](C)C(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000826214594 609612937 /nfs/dbraw/zinc/61/29/37/609612937.db2.gz QQIHMGZAVUAFAK-NSHDSACASA-N -1 3 372.812 3.376 20 0 FGADHM COc1cccc([C@H](C)C(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000826214594 609612939 /nfs/dbraw/zinc/61/29/39/609612939.db2.gz QQIHMGZAVUAFAK-NSHDSACASA-N -1 3 372.812 3.376 20 0 FGADHM O=C(OCc1ccc(Cl)cc1-c1nnn[n-]1)c1cccc(F)c1F ZINC000826465369 609616865 /nfs/dbraw/zinc/61/68/65/609616865.db2.gz JYJJXRXXIXAALT-UHFFFAOYSA-N -1 3 350.712 3.155 20 0 FGADHM O=C(OCc1ccc(Cl)cc1-c1nn[n-]n1)c1cccc(F)c1F ZINC000826465369 609616866 /nfs/dbraw/zinc/61/68/66/609616866.db2.gz JYJJXRXXIXAALT-UHFFFAOYSA-N -1 3 350.712 3.155 20 0 FGADHM C[C@@H](OC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)c1ccc2ccccc2c1 ZINC000824713690 609635781 /nfs/dbraw/zinc/63/57/81/609635781.db2.gz JXRGUYNKKQXODP-BFUOFWGJSA-N -1 3 374.400 3.358 20 0 FGADHM C[C@@H](OC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)c1ccc2ccccc2c1 ZINC000824713690 609635783 /nfs/dbraw/zinc/63/57/83/609635783.db2.gz JXRGUYNKKQXODP-BFUOFWGJSA-N -1 3 374.400 3.358 20 0 FGADHM CCCCNc1ccccc1C(=O)OCC(=O)[N-]C(=O)c1cccs1 ZINC000006983073 695561305 /nfs/dbraw/zinc/56/13/05/695561305.db2.gz VQFOMCNJPKUSIH-UHFFFAOYSA-N -1 3 360.435 3.074 20 0 FGADHM O=C(COC(=O)c1cc2cc(F)ccc2s1)[N-]C(=O)c1cccs1 ZINC000007164478 695564069 /nfs/dbraw/zinc/56/40/69/695564069.db2.gz UMNSSUJMPWIERW-UHFFFAOYSA-N -1 3 363.391 3.215 20 0 FGADHM CCCCOc1ccc(C(=O)OCC(=O)[N-]C(=O)c2cccs2)cc1 ZINC000007158935 695564080 /nfs/dbraw/zinc/56/40/80/695564080.db2.gz XEXQARWPDDTFLG-UHFFFAOYSA-N -1 3 361.419 3.040 20 0 FGADHM O=S(=O)([N-]N=c1[nH]cc(C(F)(F)F)cc1Cl)c1cccs1 ZINC000007428395 695568944 /nfs/dbraw/zinc/56/89/44/695568944.db2.gz CWSLBQOITZVYMI-UHFFFAOYSA-N -1 3 357.766 3.121 20 0 FGADHM CCCCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)cc1 ZINC000014898261 695615371 /nfs/dbraw/zinc/61/53/71/695615371.db2.gz VYATYBVXYSPIFS-UHFFFAOYSA-N -1 3 360.435 3.161 20 0 FGADHM C[C@@H](Oc1ccccc1F)C(=O)N[N-]C(=O)c1cc(Cl)ccc1Cl ZINC000018054408 695635851 /nfs/dbraw/zinc/63/58/51/695635851.db2.gz QHRGXHMSVNMMGY-SECBINFHSA-N -1 3 371.195 3.361 20 0 FGADHM O=C(COC(=O)c1cc(Cl)c(Cl)[n-]1)NCCCc1ccccc1 ZINC000021729918 695647469 /nfs/dbraw/zinc/64/74/69/695647469.db2.gz UCNPOMBEWPLECM-UHFFFAOYSA-N -1 3 355.221 3.227 20 0 FGADHM CC(C)NS(=O)(=O)c1cccc(C/N=C/c2cc(Cl)ccc2[O-])c1 ZINC000026431906 695683832 /nfs/dbraw/zinc/68/38/32/695683832.db2.gz PYBBRPPGJBPRJV-YBFXNURJSA-N -1 3 366.870 3.351 20 0 FGADHM C[C@H](Sc1ccc(Cl)cc1)C(=O)N[N-]C(=O)c1ccccc1F ZINC000026691185 695686605 /nfs/dbraw/zinc/68/66/05/695686605.db2.gz SETPJNUFJSOSEM-JTQLQIEISA-N -1 3 352.818 3.421 20 0 FGADHM CCOc1ncccc1C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000028041888 695699696 /nfs/dbraw/zinc/69/96/96/695699696.db2.gz AAKQHWZPPUYVND-UHFFFAOYSA-N -1 3 361.250 3.266 20 0 FGADHM O=C([N-]NC(=O)c1cc(-c2ccco2)n[nH]1)c1ccc(Cl)cc1Cl ZINC000028431923 695703677 /nfs/dbraw/zinc/70/36/77/695703677.db2.gz 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ZINC000078354838 700277449 /nfs/dbraw/zinc/27/74/49/700277449.db2.gz RCEPARPFXLEPHV-AWEZNQCLSA-N -1 3 356.838 3.203 20 0 FGADHM CSC(C)(C)C[N-]S(=O)(=O)c1cc(C)c(Br)s1 ZINC000081060067 700328736 /nfs/dbraw/zinc/32/87/36/700328736.db2.gz XBRSUSGTIKQAFC-UHFFFAOYSA-N -1 3 358.348 3.239 20 0 FGADHM O=C(c1c([O-])cccc1O)N1CCc2sc(Br)cc2C1 ZINC000092125638 700432019 /nfs/dbraw/zinc/43/20/19/700432019.db2.gz FBNKJCWEOOMHSR-UHFFFAOYSA-N -1 3 354.225 3.120 20 0 FGADHM Cc1ccc(Br)cc1NC(=O)c1nnc2ccccc2c1[O-] ZINC000111570599 700549240 /nfs/dbraw/zinc/54/92/40/700549240.db2.gz GVYVVQAYFFRMLG-UHFFFAOYSA-N -1 3 358.195 3.246 20 0 FGADHM COC(=O)CCN(Cn1c(CCC2CCCC2)n[n-]c1=S)C(C)C ZINC000112959455 700566169 /nfs/dbraw/zinc/56/61/69/700566169.db2.gz XIKMMAINAXAAPP-UHFFFAOYSA-N -1 3 354.520 3.294 20 0 FGADHM CSc1ccc(S(=O)(=O)[N-]c2cccnc2Br)cc1 ZINC000121395823 700671643 /nfs/dbraw/zinc/67/16/43/700671643.db2.gz RFXDNHKSQGNGFE-UHFFFAOYSA-N -1 3 359.270 3.367 20 0 FGADHM O=C([N-]c1cc(F)c(F)c(F)c1)c1sccc1S(=O)(=O)C(F)F ZINC000127613611 700763841 /nfs/dbraw/zinc/76/38/41/700763841.db2.gz IINZNUKLCSIVAA-UHFFFAOYSA-N -1 3 371.308 3.414 20 0 FGADHM CC[C@@H]([N-]S(=O)(=O)c1cc(C(C)=O)ccc1Cl)c1nccs1 ZINC000132089319 700823515 /nfs/dbraw/zinc/82/35/15/700823515.db2.gz YAZIGHYASFNTIQ-GFCCVEGCSA-N -1 3 358.872 3.429 20 0 FGADHM Cc1sc2[n-]c([C@@H](C)OC(=O)[C@H](C)OCC3CC3)nc(=O)c2c1C ZINC000142375760 704883908 /nfs/dbraw/zinc/88/39/08/704883908.db2.gz GTAKBWTWSUZQIV-ZJUUUORDSA-N -1 3 350.440 3.021 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)nc1)c1ncc(-c2ccccc2)o1 ZINC000151566141 704928993 /nfs/dbraw/zinc/92/89/93/704928993.db2.gz VOUJMUAYQQSMRW-NSHDSACASA-N -1 3 363.826 3.430 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)NC[C@H](O)c1cc2ccccc2s1 ZINC000151811990 704938772 /nfs/dbraw/zinc/93/87/72/704938772.db2.gz FMEMDOIOSBXFEA-HNNXBMFYSA-N -1 3 360.410 3.279 20 0 FGADHM O=C(Nc1ccc(Cl)cc1[O-])[C@H]1CCCN(C(=O)NC2CCCC2)C1 ZINC000153512798 705002351 /nfs/dbraw/zinc/00/23/51/705002351.db2.gz QCEKUWSTQJUDEX-LBPRGKRZSA-N -1 3 365.861 3.348 20 0 FGADHM Cc1ncsc1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000158035136 705170543 /nfs/dbraw/zinc/17/05/43/705170543.db2.gz UAIJQKPKICKOPJ-AWEZNQCLSA-N -1 3 365.886 3.205 20 0 FGADHM O=S(=O)([N-]C[C@@H](O)c1ccccc1F)c1cccc(Cl)c1Cl ZINC000159127001 705211619 /nfs/dbraw/zinc/21/16/19/705211619.db2.gz HMHIIMYVKIBNTN-GFCCVEGCSA-N -1 3 364.225 3.144 20 0 FGADHM CC(C)OC1CCC([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)CC1 ZINC000159405223 705222686 /nfs/dbraw/zinc/22/26/86/705222686.db2.gz IEOGSELXYABNGJ-UHFFFAOYSA-N -1 3 367.298 3.403 20 0 FGADHM O=S(=O)([N-]C[C@@H]1Cc2ccccc21)c1ccc(Br)cc1F ZINC000161962840 705286487 /nfs/dbraw/zinc/28/64/87/705286487.db2.gz LCANODIRRLBIFF-NSHDSACASA-N -1 3 370.243 3.206 20 0 FGADHM O=S(=O)([N-]C[C@]1(O)CCc2ccccc21)c1cccc(Cl)c1Cl ZINC000162167624 705290594 /nfs/dbraw/zinc/29/05/94/705290594.db2.gz XZBLSGOJZVAINP-MRXNPFEDSA-N -1 3 372.273 3.106 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)NC[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000163707558 705318717 /nfs/dbraw/zinc/31/87/17/705318717.db2.gz OMPSVZKIHRZNTO-OAHLLOKOSA-N -1 3 373.211 3.371 20 0 FGADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3ccnc(Cl)c3F)cc2)n1 ZINC000163966664 705322841 /nfs/dbraw/zinc/32/28/41/705322841.db2.gz CJEIPQWFOBGDFA-UHFFFAOYSA-N -1 3 358.760 3.185 20 0 FGADHM C[C@H](NC(=O)c1nnc2ccccc2c1[O-])c1ccc(Br)cc1 ZINC000171797457 705395665 /nfs/dbraw/zinc/39/56/65/705395665.db2.gz RHPDHDMLVFLHDU-JTQLQIEISA-N -1 3 372.222 3.177 20 0 FGADHM Cc1cccc(-n2cc(C(=O)[N-]c3c4nsnc4ccc3Cl)nn2)c1 ZINC000173265501 705450449 /nfs/dbraw/zinc/45/04/49/705450449.db2.gz UTAAILPTEMWODI-UHFFFAOYSA-N -1 3 370.825 3.486 20 0 FGADHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]CCC1CC1 ZINC000173768379 705470956 /nfs/dbraw/zinc/47/09/56/705470956.db2.gz GIICAFASRIHBQS-UHFFFAOYSA-N -1 3 368.680 3.190 20 0 FGADHM O=S(=O)([N-]c1cccnc1Cl)c1ccc(F)c(Br)c1 ZINC000174608530 705510474 /nfs/dbraw/zinc/51/04/74/705510474.db2.gz WVTYIIJCWJJUDS-UHFFFAOYSA-N -1 3 365.611 3.437 20 0 FGADHM CSc1ccccc1NC(=O)[C@@H](C)O[N-]C(=O)Cc1ccc(C)cc1 ZINC000178158791 705656775 /nfs/dbraw/zinc/65/67/75/705656775.db2.gz MKJCQPAVRUDWCM-CQSZACIVSA-N -1 3 358.463 3.334 20 0 FGADHM O=C(Nc1cc(F)ccc1[O-])c1sccc1NC(=O)c1ccncc1 ZINC000179650088 705708684 /nfs/dbraw/zinc/70/86/84/705708684.db2.gz REKGDIWARQKHDZ-UHFFFAOYSA-N -1 3 357.366 3.492 20 0 FGADHM CC[C@H](CSC)NC(=O)N[N-]C(=O)c1ccc(Cl)cc1Cl ZINC000179978390 705722739 /nfs/dbraw/zinc/72/27/39/705722739.db2.gz OPELOTYADYETKB-SECBINFHSA-N -1 3 350.271 3.079 20 0 FGADHM O=C([N-]NC(=O)NCc1ccc(Cl)cn1)c1ccc(Cl)cc1Cl ZINC000180849817 705760523 /nfs/dbraw/zinc/76/05/23/705760523.db2.gz CLXODFFQADYQGB-UHFFFAOYSA-N -1 3 373.627 3.186 20 0 FGADHM Cc1cccnc1C(=O)[N-]NC(=O)Nc1ccc(Cl)cc1OC(F)F ZINC000184385511 712671673 /nfs/dbraw/zinc/67/16/73/712671673.db2.gz ZWEVVRHCEVUHJH-UHFFFAOYSA-N -1 3 370.743 3.111 20 0 FGADHM C[C@@H](OC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C)c1cccc(Cl)c1F ZINC000186346916 712716012 /nfs/dbraw/zinc/71/60/12/712716012.db2.gz BGYQNQMMCZSHER-RNCFNFMXSA-N -1 3 365.854 3.047 20 0 FGADHM Cc1csc([C@@H](C)C[N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)n1 ZINC000186480073 712720629 /nfs/dbraw/zinc/72/06/29/712720629.db2.gz SVWXSYGUVFEZPW-ZETCQYMHSA-N -1 3 366.295 3.235 20 0 FGADHM Cc1cnc([C@H](C)C[N-]S(=O)(=O)c2ccc(Cl)nc2Cl)s1 ZINC000186726052 712725454 /nfs/dbraw/zinc/72/54/54/712725454.db2.gz IZCVVEQUNNCHOD-SSDOTTSWSA-N -1 3 366.295 3.235 20 0 FGADHM O=S(=O)([N-]CC1(c2ccccn2)CC1)c1cccc(Cl)c1Cl ZINC000187956942 712757470 /nfs/dbraw/zinc/75/74/70/712757470.db2.gz YAXULKDCIPJJGG-UHFFFAOYSA-N -1 3 357.262 3.399 20 0 FGADHM Cc1cc(S(=O)(=O)[N-][C@H](C)[C@@H](O)c2ccc(F)cc2)sc1Cl ZINC000188039614 712759866 /nfs/dbraw/zinc/75/98/66/712759866.db2.gz FIDAPMBFNFYUOA-NOZJJQNGSA-N -1 3 363.863 3.249 20 0 FGADHM CCCCOc1ccc(C(=O)NCc2ccc([S@@](C)=O)cc2)c([O-])c1 ZINC000190595291 712817783 /nfs/dbraw/zinc/81/77/83/712817783.db2.gz CVFIIZJFZBILQS-RUZDIDTESA-N -1 3 361.463 3.239 20 0 FGADHM 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O=C(CSCc1cccc(Cl)c1)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000619423652 714834631 /nfs/dbraw/zinc/83/46/31/714834631.db2.gz PQXINONBRWPGOR-CQSZACIVSA-N -1 3 351.859 3.208 20 0 FGADHM CCCCOc1ccc(C(=O)N2C[C@H](C)O[C@@](C)(C(F)F)C2)c([O-])c1 ZINC000621123254 714962230 /nfs/dbraw/zinc/96/22/30/714962230.db2.gz KVESHXSUJDVFGX-KPZWWZAWSA-N -1 3 357.397 3.456 20 0 FGADHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000621974979 715042947 /nfs/dbraw/zinc/04/29/47/715042947.db2.gz OBFPYTOUMZUYMI-PRHODGIISA-N -1 3 371.277 3.186 20 0 FGADHM O=C(N[C@H](CO)c1c(F)cccc1F)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622480013 715076850 /nfs/dbraw/zinc/07/68/50/715076850.db2.gz CJDUPMGVINPISN-CYBMUJFWSA-N -1 3 361.266 3.153 20 0 FGADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)COc2cc(Cl)ccc2Cl)n1 ZINC000622739200 715087303 /nfs/dbraw/zinc/08/73/03/715087303.db2.gz YPNIWYFZXLLFCK-UHFFFAOYSA-N -1 3 370.236 3.228 20 0 FGADHM CO[C@@H](C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl)C1CCCCC1 ZINC000622887670 715103293 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FGADHM Cc1ncc(-c2ccc([N-]S(=O)(=O)CCOCC3CCC3)cc2)o1 ZINC000634786079 717114727 /nfs/dbraw/zinc/11/47/27/717114727.db2.gz OFRDTUZOMYKJRB-UHFFFAOYSA-N -1 3 350.440 3.208 20 0 FGADHM CC(C)O[C@@]1(CS(=O)(=O)[N-]c2ccc(-c3ccc[nH]3)cc2)CCOC1 ZINC000634790900 717116147 /nfs/dbraw/zinc/11/61/47/717116147.db2.gz BSWCOVLEXBDCTP-SFHVURJKSA-N -1 3 364.467 3.008 20 0 FGADHM C[C@](CC(=O)[O-])(C(=O)NC[C@H]1CCN1C1CCCC1)C1CCCCC1 ZINC000634850254 717124379 /nfs/dbraw/zinc/12/43/79/717124379.db2.gz VGNOJEFFSALUKS-YLJYHZDGSA-N -1 3 350.503 3.181 20 0 FGADHM Cc1c(Br)csc1C(=O)NC(C)(C)c1nc(C)cc(=O)[n-]1 ZINC000636112576 717233262 /nfs/dbraw/zinc/23/32/62/717233262.db2.gz ROYYXVLCRKDHSD-UHFFFAOYSA-N -1 3 370.272 3.288 20 0 FGADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)[C@@H]1CC[C@H]1c1ccc(Cl)cc1F)C2 ZINC000636286596 717257550 /nfs/dbraw/zinc/25/75/50/717257550.db2.gz NFNNPFWEQIZJFU-WCQYABFASA-N -1 3 361.804 3.319 20 0 FGADHM Cc1nc(-c2ccc(C(=O)N3Cc4nc(C)[n-]c(=O)c4C3)s2)cs1 ZINC000636288328 717257788 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Cc1ccc([C@H](O)[C@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2F)cc1 ZINC000796103344 723621444 /nfs/dbraw/zinc/62/14/44/723621444.db2.gz JKBGUYONHKGCJD-MEDUHNTESA-N -1 3 357.834 3.188 20 0 FGADHM Cc1ccc(CC(=O)[N-]OCCOc2ccccc2Br)cc1 ZINC000768299337 723653321 /nfs/dbraw/zinc/65/33/21/723653321.db2.gz KVXZVCORVZKQOY-UHFFFAOYSA-N -1 3 364.239 3.427 20 0 FGADHM O=S(=O)(/C=C\c1cccc(Cl)c1)[N-][C@H](CO)c1c(F)cccc1F ZINC000768845319 723669241 /nfs/dbraw/zinc/66/92/41/723669241.db2.gz CLYPULHIBAQHTM-ZPIQOJFGSA-N -1 3 373.808 3.242 20 0 FGADHM CC[C@H](Cc1ccc(Cl)cc1)[N-]S(=O)(=O)c1cn(C)c(Cl)n1 ZINC000769900294 723699784 /nfs/dbraw/zinc/69/97/84/723699784.db2.gz PGVPECAKCRBEBW-GFCCVEGCSA-N -1 3 362.282 3.027 20 0 FGADHM CCCN(Cc1ccc(C)cc1)C(=O)CSCc1nc(C)cc(=O)[n-]1 ZINC000773447616 723786926 /nfs/dbraw/zinc/78/69/26/723786926.db2.gz MPQYQDOGSZTBQF-UHFFFAOYSA-N -1 3 359.495 3.471 20 0 FGADHM O=C1[N-]C(=O)C(=CN[C@@H]2C[C@H]2c2ccc(Cl)c(F)c2)c2ccccc21 ZINC000797785731 723860948 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CC(C)Oc1ccc([N-]S(=O)(=O)CC(=O)O[C@@H]2CCCC2(C)C)cc1 ZINC000799634417 724072540 /nfs/dbraw/zinc/07/25/40/724072540.db2.gz XKBPFUCJPCWJMH-MRXNPFEDSA-N -1 3 369.483 3.337 20 0 FGADHM CC(=O)Nc1ncccc1[N-]S(=O)(=O)/C=C/c1ccc(Cl)cc1 ZINC000776311688 724131415 /nfs/dbraw/zinc/13/14/15/724131415.db2.gz SICSUJQTIWMCQD-CSKARUKUSA-N -1 3 351.815 3.106 20 0 FGADHM Cc1c(Cl)cccc1NC(=O)[C@@H](C)OC(=O)c1cccc2nn[n-]c21 ZINC000800205457 724166360 /nfs/dbraw/zinc/16/63/60/724166360.db2.gz ILMUIRYIZDVKBY-SNVBAGLBSA-N -1 3 358.785 3.104 20 0 FGADHM Cc1c(Cl)cccc1NC(=O)[C@@H](C)OC(=O)c1cccc2[n-]nnc21 ZINC000800205457 724166361 /nfs/dbraw/zinc/16/63/61/724166361.db2.gz ILMUIRYIZDVKBY-SNVBAGLBSA-N -1 3 358.785 3.104 20 0 FGADHM Cc1c(Cl)cccc1NC(=O)[C@@H](C)OC(=O)c1cccc2n[n-]nc21 ZINC000800205457 724166363 /nfs/dbraw/zinc/16/63/63/724166363.db2.gz ILMUIRYIZDVKBY-SNVBAGLBSA-N -1 3 358.785 3.104 20 0 FGADHM Cc1ccc(-c2nc(COC(=O)c3cc(F)cc4[n-]nnc43)cs2)o1 ZINC000800262975 724172086 /nfs/dbraw/zinc/17/20/86/724172086.db2.gz CMSHONAFNLMSOF-UHFFFAOYSA-N -1 3 358.354 3.479 20 0 FGADHM Cc1ccc(-c2nc(COC(=O)c3cc(F)cc4nn[n-]c43)cs2)o1 ZINC000800262975 724172089 /nfs/dbraw/zinc/17/20/89/724172089.db2.gz CMSHONAFNLMSOF-UHFFFAOYSA-N -1 3 358.354 3.479 20 0 FGADHM Cc1ccc(-c2nc(COC(=O)c3cc(F)cc4n[n-]nc43)cs2)o1 ZINC000800262975 724172092 /nfs/dbraw/zinc/17/20/92/724172092.db2.gz CMSHONAFNLMSOF-UHFFFAOYSA-N -1 3 358.354 3.479 20 0 FGADHM CCc1ccc(C(=O)NC[C@H](O)c2cccc(Br)c2)c([O-])c1 ZINC000800585017 724216391 /nfs/dbraw/zinc/21/63/91/724216391.db2.gz AIMXVXXMXNGAFP-INIZCTEOSA-N -1 3 364.239 3.181 20 0 FGADHM Cc1ccc(N2C[C@@H](C(=O)[N-]OCCC(F)(F)F)CCC2=O)cc1C ZINC000777973136 724277834 /nfs/dbraw/zinc/27/78/34/724277834.db2.gz GRSXNXPOAYVPDP-ZDUSSCGKSA-N -1 3 358.360 3.047 20 0 FGADHM Cc1ccc(Br)cc1COC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000785175293 724899882 /nfs/dbraw/zinc/89/98/82/724899882.db2.gz VHMAPQXBRPQWTM-UHFFFAOYSA-N -1 3 365.227 3.156 20 0 FGADHM Cc1ccc(CCCOC(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)cc1 ZINC000785279135 724905332 /nfs/dbraw/zinc/90/53/32/724905332.db2.gz AYUUZBBQMRBWNM-UHFFFAOYSA-N -1 3 365.426 3.295 20 0 FGADHM Cc1sc2[n-]c([C@H](C)OC(=O)CN3[C@H](C)CC[C@@H]3C)nc(=O)c2c1C ZINC000785731033 724933045 /nfs/dbraw/zinc/93/30/45/724933045.db2.gz MSGKXZFRYAXTKB-UMNHJUIQSA-N -1 3 363.483 3.491 20 0 FGADHM COCCO[N-]C(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000787115980 725016811 /nfs/dbraw/zinc/01/68/11/725016811.db2.gz PXOOHELXZOVQSN-UHFFFAOYSA-N -1 3 374.224 3.060 20 0 FGADHM Cc1nc(C)c(CC(=O)O[C@H](C)Cc2cccc(Cl)c2F)c(=O)[n-]1 ZINC000788415792 725063300 /nfs/dbraw/zinc/06/33/00/725063300.db2.gz GNQWKLZKFFTOCA-SECBINFHSA-N -1 3 352.793 3.308 20 0 FGADHM COc1cc(C(=O)OCCOc2ccc(SC)cc2)cc(OC)c1[O-] ZINC000805515470 725076955 /nfs/dbraw/zinc/07/69/55/725076955.db2.gz UKVPNQORHPUFOI-UHFFFAOYSA-N -1 3 364.419 3.367 20 0 FGADHM O=C(OCc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1cnn[n-]1 ZINC000805603757 725082438 /nfs/dbraw/zinc/08/24/38/725082438.db2.gz VAHYSTGAIQKICA-UHFFFAOYSA-N -1 3 354.313 3.304 20 0 FGADHM O=C(OCc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1c[n-]nn1 ZINC000805603757 725082439 /nfs/dbraw/zinc/08/24/39/725082439.db2.gz VAHYSTGAIQKICA-UHFFFAOYSA-N -1 3 354.313 3.304 20 0 FGADHM O=S(=O)([N-]c1cc2c(cc1Cl)OCO2)C1=Cc2ccccc2OC1 ZINC000788735919 725084595 /nfs/dbraw/zinc/08/45/95/725084595.db2.gz BAMTTZNZLRBYPO-UHFFFAOYSA-N -1 3 365.794 3.244 20 0 FGADHM CCOC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(N(C)C)cc2)c1 ZINC000788843052 725090778 /nfs/dbraw/zinc/09/07/78/725090778.db2.gz NYUFFQCEEJRXNK-UHFFFAOYSA-N -1 3 362.451 3.039 20 0 FGADHM O=C(O[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O)c1cncc([O-])c1 ZINC000789051754 725105091 /nfs/dbraw/zinc/10/50/91/725105091.db2.gz ZBENSBNJHDFNGC-CQSZACIVSA-N -1 3 367.188 3.056 20 0 FGADHM O=C(OCC1(F)CC1)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000789591750 725137628 /nfs/dbraw/zinc/13/76/28/725137628.db2.gz UBPLGWRZWIMILG-UHFFFAOYSA-N -1 3 367.373 3.285 20 0 FGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCn2c(Cl)ccc2[C@H]1C ZINC000808249413 725189538 /nfs/dbraw/zinc/18/95/38/725189538.db2.gz CZYZBUPSDKBDHR-LLVKDONJSA-N -1 3 362.861 3.460 20 0 FGADHM COc1cc(S(=O)(=O)[N-]c2cccc(F)c2Cl)cnc1Cl ZINC000808568580 725207477 /nfs/dbraw/zinc/20/74/77/725207477.db2.gz MOGKKZOSQSBEDA-UHFFFAOYSA-N -1 3 351.186 3.337 20 0 FGADHM COc1cccc2c(C(=O)OCc3nc(-c4ccsc4)no3)n[n-]c21 ZINC000808674620 725213070 /nfs/dbraw/zinc/21/30/70/725213070.db2.gz VORZDYDYTNDLHV-UHFFFAOYSA-N -1 3 356.363 3.040 20 0 FGADHM COc1cccc2c(C(=O)OCc3nc(-c4ccsc4)no3)[n-]nc21 ZINC000808674620 725213071 /nfs/dbraw/zinc/21/30/71/725213071.db2.gz VORZDYDYTNDLHV-UHFFFAOYSA-N -1 3 356.363 3.040 20 0 FGADHM O=S(=O)([N-]Cc1cnc(Cl)s1)c1cc(C(F)(F)F)ccc1F ZINC000809849968 725273372 /nfs/dbraw/zinc/27/33/72/725273372.db2.gz JBMGXZUQIQHHOI-UHFFFAOYSA-N -1 3 374.768 3.433 20 0 FGADHM C[C@H](c1ccc(F)cc1F)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000810068127 725286300 /nfs/dbraw/zinc/28/63/00/725286300.db2.gz ISOHPXNSZOLIAQ-GHMZBOCLSA-N -1 3 350.331 3.416 20 0 FGADHM C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1cc([O-])ccc1Cl ZINC000810709687 725324462 /nfs/dbraw/zinc/32/44/62/725324462.db2.gz GXFTXMPJWUDBMV-NWDGAFQWSA-N -1 3 368.861 3.421 20 0 FGADHM COc1cccc(C(=O)COC(=O)c2cc3cc(Cl)sc3[n-]2)n1 ZINC000811394983 725361698 /nfs/dbraw/zinc/36/16/98/725361698.db2.gz OUSLHISUTIZAHQ-UHFFFAOYSA-N -1 3 350.783 3.326 20 0 FGADHM O=C([N-][C@@H]1COc2ccccc2[C@@H]1O)C(F)(F)c1cccc(Cl)c1 ZINC000811577716 725373976 /nfs/dbraw/zinc/37/39/76/725373976.db2.gz CWHCIIPFJLRWCO-HIFRSBDPSA-N -1 3 353.752 3.043 20 0 FGADHM Cc1cc(C)cc(NC(=S)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)c1 ZINC000811712731 725377835 /nfs/dbraw/zinc/37/78/35/725377835.db2.gz YQJHTTIVSVEDJK-ZDUSSCGKSA-N -1 3 373.444 3.391 20 0 FGADHM Cn1ncc(CSCc2nc(=O)c3c(-c4ccco4)csc3[n-]2)n1 ZINC000811804757 725380860 /nfs/dbraw/zinc/38/08/60/725380860.db2.gz ACWVPSWUQGJHMR-UHFFFAOYSA-N -1 3 359.436 3.219 20 0 FGADHM Cc1cc(=O)[n-]c(CSCC(=O)NC[C@@H](c2ccccc2)C(C)C)n1 ZINC000811807072 725380910 /nfs/dbraw/zinc/38/09/10/725380910.db2.gz NMJAOQMOXXSFAQ-MRXNPFEDSA-N -1 3 359.495 3.280 20 0 FGADHM Cc1cc2ccccc2nc1N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000811856631 725383176 /nfs/dbraw/zinc/38/31/76/725383176.db2.gz RTHLYZWDZZICHY-CYBMUJFWSA-N -1 3 351.372 3.438 20 0 FGADHM CC(C)OCCO[N-]C(=O)Cc1ccc(Br)c(Cl)c1 ZINC000812809498 726814268 /nfs/dbraw/zinc/81/42/68/726814268.db2.gz YITNNSKIBSPRMU-UHFFFAOYSA-N -1 3 350.640 3.118 20 0 FGADHM COC(=O)c1cc(C(=O)OCc2coc(-c3ccc(Cl)cc3)n2)c[n-]1 ZINC000814529883 726978458 /nfs/dbraw/zinc/97/84/58/726978458.db2.gz BHXGLMCTINKKPS-UHFFFAOYSA-N -1 3 360.753 3.467 20 0 FGADHM O=C(CCC(=O)N1CCOc2ccccc21)Nc1c([O-])cccc1Cl ZINC000816768956 727193805 /nfs/dbraw/zinc/19/38/05/727193805.db2.gz OEWLMNTZHWOYHZ-UHFFFAOYSA-N -1 3 360.797 3.190 20 0 FGADHM CC[C@@H](C)CO[N-]C(=O)CCc1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000816978702 727212500 /nfs/dbraw/zinc/21/25/00/727212500.db2.gz ZVGDKYHAMUHNJH-LLVKDONJSA-N -1 3 363.483 3.302 20 0 FGADHM CN(C)Cc1ccccc1[N-]S(=O)(=O)c1cc(F)ccc1OC(F)F ZINC000817389955 727246212 /nfs/dbraw/zinc/24/62/12/727246212.db2.gz BJEYZBHOUYGZLQ-UHFFFAOYSA-N -1 3 374.384 3.290 20 0 FGADHM Nc1ccc(C(=O)N2CCC(c3nc4c(s3)CCCC4)CC2)c([O-])c1 ZINC000818289243 727305769 /nfs/dbraw/zinc/30/57/69/727305769.db2.gz NLSKMAJBUVXSBD-UHFFFAOYSA-N -1 3 357.479 3.330 20 0 FGADHM C[C@@H](OCc1ccccc1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820518826 729000916 /nfs/dbraw/zinc/00/09/16/729000916.db2.gz LPWOROPMYZOLRW-LLVKDONJSA-N -1 3 357.801 3.064 20 0 FGADHM C[C@@H](OCc1ccccc1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820518826 729000918 /nfs/dbraw/zinc/00/09/18/729000918.db2.gz LPWOROPMYZOLRW-LLVKDONJSA-N -1 3 357.801 3.064 20 0 FGADHM Cc1ccccc1[C@H](O)C[N-]S(=O)(=O)c1csnc1-c1ccccc1 ZINC000820792428 729031174 /nfs/dbraw/zinc/03/11/74/729031174.db2.gz XPBLTXJVSRIZSX-MRXNPFEDSA-N -1 3 374.487 3.130 20 0 FGADHM O=C(Cc1csc(C2CC2)n1)NCc1ccc([O-])c(Br)c1 ZINC000821070411 729055038 /nfs/dbraw/zinc/05/50/38/729055038.db2.gz BCTJHTPNGDTRLQ-UHFFFAOYSA-N -1 3 367.268 3.348 20 0 FGADHM C[C@]1(CNC(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)CC1(Cl)Cl ZINC000821422264 729085963 /nfs/dbraw/zinc/08/59/63/729085963.db2.gz BSMZKAWQWUXXOQ-CQSZACIVSA-N -1 3 361.175 3.120 20 0 FGADHM Cc1cc(C)cc(NC(=O)CNc2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000822196704 729153600 /nfs/dbraw/zinc/15/36/00/729153600.db2.gz TZGZNFAFETZQKD-UHFFFAOYSA-N -1 3 356.817 3.188 20 0 FGADHM Cc1ccc(NC(=O)CNc2ccc(-c3nn[n-]n3)cc2Cl)c(C)c1 ZINC000822242546 729156280 /nfs/dbraw/zinc/15/62/80/729156280.db2.gz OWXMUYXVXSKJIQ-UHFFFAOYSA-N -1 3 356.817 3.188 20 0 FGADHM C[C@@H](NC(=O)c1sccc1C(F)F)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000822919445 729232566 /nfs/dbraw/zinc/23/25/66/729232566.db2.gz UIHZUBWZGFVZAF-RKDXNWHRSA-N -1 3 369.393 3.179 20 0 FGADHM C[C@@H]1CCCN(Cc2csc(NC(=O)c3[n-]cnc3C(F)(F)F)n2)C1 ZINC000823214670 729263868 /nfs/dbraw/zinc/26/38/68/729263868.db2.gz HHVXJSOQGAKHLC-SECBINFHSA-N -1 3 373.404 3.369 20 0 FGADHM C[C@@H]1CCCN(Cc2csc(NC(=O)c3nc[n-]c3C(F)(F)F)n2)C1 ZINC000823214670 729263871 /nfs/dbraw/zinc/26/38/71/729263871.db2.gz HHVXJSOQGAKHLC-SECBINFHSA-N -1 3 373.404 3.369 20 0 FGADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)Cc2csc(C3CCCC3)n2)n1 ZINC000824154986 729322036 /nfs/dbraw/zinc/32/20/36/729322036.db2.gz WBRUWXHBNOZULZ-UHFFFAOYSA-N -1 3 360.483 3.199 20 0 FGADHM CC(C)(C)OC(=O)c1ccc([N-]C(=O)c2ncoc2C(F)(F)F)nc1 ZINC000824163274 729322259 /nfs/dbraw/zinc/32/22/59/729322259.db2.gz ILVZKUJZGPTNNG-UHFFFAOYSA-N -1 3 357.288 3.296 20 0 FGADHM CC(C)[C@H](Sc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C(=O)N(C)C ZINC000824207695 729324203 /nfs/dbraw/zinc/32/42/03/729324203.db2.gz ZMOKXCQIIRJSDH-LBPRGKRZSA-N -1 3 373.404 3.090 20 0 FGADHM CC(C)[C@H](Sc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C(=O)N(C)C ZINC000824207695 729324204 /nfs/dbraw/zinc/32/42/04/729324204.db2.gz ZMOKXCQIIRJSDH-LBPRGKRZSA-N -1 3 373.404 3.090 20 0 FGADHM C[C@@H](CN(C)c1cc(-c2nnn[n-]2)c2ccccc2n1)c1nccs1 ZINC000824413473 729336740 /nfs/dbraw/zinc/33/67/40/729336740.db2.gz LXVWUHXAYMACSW-NSHDSACASA-N -1 3 351.439 3.111 20 0 FGADHM C[C@@H](CN(C)c1cc(-c2nn[n-]n2)c2ccccc2n1)c1nccs1 ZINC000824413473 729336741 /nfs/dbraw/zinc/33/67/41/729336741.db2.gz LXVWUHXAYMACSW-NSHDSACASA-N -1 3 351.439 3.111 20 0 FGADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1cnn(Cc2cc(F)ccc2Cl)c1 ZINC000824461472 729340764 /nfs/dbraw/zinc/34/07/64/729340764.db2.gz WRQPDKVXXNZSLE-OAHLLOKOSA-N -1 3 368.796 3.304 20 0 FGADHM O=C([N-]O[C@@H]1CCCCO1)Nc1cnn(Cc2cc(F)ccc2Cl)c1 ZINC000824461472 729340766 /nfs/dbraw/zinc/34/07/66/729340766.db2.gz WRQPDKVXXNZSLE-OAHLLOKOSA-N -1 3 368.796 3.304 20 0 FGADHM Cc1ccc([O-])c(CN[C@@H](CCNC(=O)OC(C)(C)C)C(F)(F)F)n1 ZINC000825269103 729376330 /nfs/dbraw/zinc/37/63/30/729376330.db2.gz DEFQHAVKIAMLTM-ZDUSSCGKSA-N -1 3 363.380 3.031 20 0 FGADHM CCCCCCNC(=O)CSc1cccc(Cl)c1-c1nnn[n-]1 ZINC000825272178 729376487 /nfs/dbraw/zinc/37/64/87/729376487.db2.gz YFGQNBIGKKNOLE-UHFFFAOYSA-N -1 3 353.879 3.309 20 0 FGADHM CCCCCCNC(=O)CSc1cccc(Cl)c1-c1nn[n-]n1 ZINC000825272178 729376488 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/nfs/dbraw/zinc/60/68/62/505606862.db2.gz OJIDPPKWLOTXPW-CYBMUJFWSA-N -1 3 361.463 3.239 20 0 FGADHM C[C@@H]1CCN(Cc2nn(-c3ccc(F)cc3)c3c2CCC3)[C@H](C(=O)[O-])C1 ZINC000568075172 505610620 /nfs/dbraw/zinc/61/06/20/505610620.db2.gz ZVKMNWZBEFOXIQ-YJYMSZOUSA-N -1 3 357.429 3.185 20 0 FGADHM CN(C)c1nc(-c2nc(Cc3c[nH]c4ccc(Cl)cc34)no2)cc(=O)[n-]1 ZINC000579760944 505614026 /nfs/dbraw/zinc/61/40/26/505614026.db2.gz CBAGNTVDZAYDLJ-UHFFFAOYSA-N -1 3 370.800 3.024 20 0 FGADHM COC(=O)[C@H](NC(=O)c1cc([O-])c2ccccc2c1)[C@@H]1CCC[C@@H](OC)C1 ZINC000568135621 505624899 /nfs/dbraw/zinc/62/48/99/505624899.db2.gz HHWYFBQYIBSNHH-IDHHARJASA-N -1 3 371.433 3.022 20 0 FGADHM CC(=O)N(c1ccc(NC(=O)c2cc(C(F)(F)F)n[n-]2)cc1)[C@H]1C[C@H]1C ZINC000573831409 505631080 /nfs/dbraw/zinc/63/10/80/505631080.db2.gz GHLPLWGAQWDERG-OTYXRUKQSA-N -1 3 366.343 3.442 20 0 FGADHM CC(=O)N(c1ccc(NC(=O)c2cc(C(F)(F)F)[n-]n2)cc1)[C@H]1C[C@H]1C ZINC000573831409 505631084 /nfs/dbraw/zinc/63/10/84/505631084.db2.gz 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COC[C@H]([N-]S(=O)(=O)c1ccc(C)c(C(F)(F)F)c1)c1ccco1 ZINC000080790697 493778792 /nfs/dbraw/zinc/77/87/92/493778792.db2.gz VKKXOGSORVYKIX-ZDUSSCGKSA-N -1 3 363.357 3.273 20 0 FGADHM Cc1nc(C)c(CCC(=O)N(C)[C@@H](C)c2nc3ccccc3s2)c(=O)[n-]1 ZINC000057813708 493801847 /nfs/dbraw/zinc/80/18/47/493801847.db2.gz OKXHALSAIPMGDX-LBPRGKRZSA-N -1 3 370.478 3.149 20 0 FGADHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)CS3)c(C)c1 ZINC000028810148 493802459 /nfs/dbraw/zinc/80/24/59/493802459.db2.gz KSQSROLDZIPUSY-UHFFFAOYSA-N -1 3 362.476 3.457 20 0 FGADHM CC(C)c1ccc(C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)c([O-])c1 ZINC000048382231 493823352 /nfs/dbraw/zinc/82/33/52/493823352.db2.gz QDBPJXBRSABALW-UHFFFAOYSA-N -1 3 366.339 3.301 20 0 FGADHM Cc1ccc(-c2csc([N-]C(=O)c3nc4nc(C)cc(C)n4n3)n2)s1 ZINC000029311271 493833202 /nfs/dbraw/zinc/83/32/02/493833202.db2.gz KYOFWYAMLXTMKN-UHFFFAOYSA-N -1 3 370.463 3.487 20 0 FGADHM CC(C)(C)[C@@H](NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)c1ccccc1 ZINC000068625768 493846877 /nfs/dbraw/zinc/84/68/77/493846877.db2.gz BJNLEEFESDBWIW-INIZCTEOSA-N -1 3 351.406 3.479 20 0 FGADHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N(C)C1CCC(C)CC1 ZINC000076241709 493851613 /nfs/dbraw/zinc/85/16/13/493851613.db2.gz ALHHQVHCFJHJJE-UHFFFAOYSA-N -1 3 366.483 3.209 20 0 FGADHM C[C@H](NC(=O)c1ccc2n[n-]nc2c1)c1ccc(OC(F)(F)F)cc1 ZINC000029878852 493864746 /nfs/dbraw/zinc/86/47/46/493864746.db2.gz LBYHCUMQTXEZCL-VIFPVBQESA-N -1 3 350.300 3.348 20 0 FGADHM O=S(=O)([N-][C@@H](CN1CCCC1)c1ccccc1)c1cc(F)cc(F)c1 ZINC000030008233 493873560 /nfs/dbraw/zinc/87/35/60/493873560.db2.gz YIXBKTJGPHGMHI-SFHVURJKSA-N -1 3 366.433 3.080 20 0 FGADHM CN(C)[C@@H](C[N-]S(=O)(=O)c1cc(F)cc(F)c1)c1ccccc1Cl ZINC000049490184 493874870 /nfs/dbraw/zinc/87/48/70/493874870.db2.gz MNIQQZOVYGNYGM-INIZCTEOSA-N -1 3 374.840 3.199 20 0 FGADHM COc1ccccc1-c1noc([C@@H](C)[N-]S(=O)(=O)c2ccc(C)cc2)n1 ZINC000068933225 493896662 /nfs/dbraw/zinc/89/66/62/493896662.db2.gz HZRSRKVGRPDCSW-CYBMUJFWSA-N -1 3 373.434 3.093 20 0 FGADHM O=C(CNC(=O)CC1CCCCC1)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000081458305 493897069 /nfs/dbraw/zinc/89/70/69/493897069.db2.gz VUUZLMOQRBPNSO-UHFFFAOYSA-N -1 3 358.360 3.436 20 0 FGADHM COc1ccccc1-c1nc(C(=O)Nc2nnc(-c3ccco3)[n-]2)cs1 ZINC000058988564 493899053 /nfs/dbraw/zinc/89/90/53/493899053.db2.gz OKRIEDNLKFYYRP-UHFFFAOYSA-N -1 3 367.390 3.449 20 0 FGADHM COc1ccccc1-c1nc(C(=O)Nc2nc(-c3ccco3)n[n-]2)cs1 ZINC000058988564 493899058 /nfs/dbraw/zinc/89/90/58/493899058.db2.gz OKRIEDNLKFYYRP-UHFFFAOYSA-N -1 3 367.390 3.449 20 0 FGADHM Cc1ccc2c(CC(=O)NCc3ccc(-c4nnn[n-]4)cc3)coc2c1C ZINC000068961630 493900274 /nfs/dbraw/zinc/90/02/74/493900274.db2.gz OODOJRRNNDKXCL-UHFFFAOYSA-N -1 3 361.405 3.089 20 0 FGADHM Cc1ccc2c(CC(=O)NCc3ccc(-c4nn[n-]n4)cc3)coc2c1C ZINC000068961630 493900277 /nfs/dbraw/zinc/90/02/77/493900277.db2.gz OODOJRRNNDKXCL-UHFFFAOYSA-N -1 3 361.405 3.089 20 0 FGADHM O=C(CCc1ccc(-c2ccccc2)o1)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000068962760 493900740 /nfs/dbraw/zinc/90/07/40/493900740.db2.gz YHSVRTZXHHJILE-UHFFFAOYSA-N -1 3 373.416 3.376 20 0 FGADHM O=C(CCc1ccc(-c2ccccc2)o1)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000068962760 493900746 /nfs/dbraw/zinc/90/07/46/493900746.db2.gz YHSVRTZXHHJILE-UHFFFAOYSA-N -1 3 373.416 3.376 20 0 FGADHM CN(C)[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1F)c1ccc(F)cc1 ZINC000059747019 493908218 /nfs/dbraw/zinc/90/82/18/493908218.db2.gz PQRASIMUXKVARZ-OAHLLOKOSA-N -1 3 374.840 3.199 20 0 FGADHM CN(C)[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1F)c1ccc(F)cc1 ZINC000059747014 493908434 /nfs/dbraw/zinc/90/84/34/493908434.db2.gz PQRASIMUXKVARZ-HNNXBMFYSA-N -1 3 374.840 3.199 20 0 FGADHM O=S(=O)([N-][C@H]1CCC[C@H](C(F)(F)F)C1)c1cnn(-c2ccccc2)c1 ZINC000069039210 493910621 /nfs/dbraw/zinc/91/06/21/493910621.db2.gz KXRDDUPIACXKML-STQMWFEESA-N -1 3 373.400 3.272 20 0 FGADHM O=C(Nc1ccccc1[O-])C1CCN(C(=O)NCc2ccc(F)cc2)CC1 ZINC000030993659 493917124 /nfs/dbraw/zinc/91/71/24/493917124.db2.gz DXVJJACEQHXBRV-UHFFFAOYSA-N -1 3 371.412 3.092 20 0 FGADHM C[C@H](C[N-]S(=O)(=O)c1ccccc1C(F)(F)F)N1CCC(C)CC1 ZINC000060198923 493918656 /nfs/dbraw/zinc/91/86/56/493918656.db2.gz XMYQKGWRUGMVNX-CYBMUJFWSA-N -1 3 364.433 3.104 20 0 FGADHM CCC(C)(C)C1CCC(NC(=O)c2cc(S(=O)(=O)[N-]C)oc2C)CC1 ZINC000081568457 493919367 /nfs/dbraw/zinc/91/93/67/493919367.db2.gz ITSVUSPJMVRTBT-UHFFFAOYSA-N -1 3 370.515 3.221 20 0 FGADHM O=S(=O)([N-]CCc1ccccc1)c1cc(Br)ccc1F ZINC000060320927 493922367 /nfs/dbraw/zinc/92/23/67/493922367.db2.gz KEUHXTQTHUOBDG-UHFFFAOYSA-N -1 3 358.232 3.109 20 0 FGADHM CCc1ccc([C@@H](C[N-]S(=O)(=O)c2cccc(F)c2F)N(C)C)cc1 ZINC000060357134 493926158 /nfs/dbraw/zinc/92/61/58/493926158.db2.gz ZOOAVAGYXWXEQX-MRXNPFEDSA-N -1 3 368.449 3.108 20 0 FGADHM C[N-]S(=O)(=O)c1cc(C(=O)N(CCC(C)C)CCC(C)C)c(C)o1 ZINC000081612592 493930112 /nfs/dbraw/zinc/93/01/12/493930112.db2.gz CVJPXUCCJASZHY-UHFFFAOYSA-N -1 3 358.504 3.031 20 0 FGADHM CCCC(C)(C)NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000050808160 493935773 /nfs/dbraw/zinc/93/57/73/493935773.db2.gz QAXXWLTWLHHNGQ-UHFFFAOYSA-N -1 3 367.446 3.263 20 0 FGADHM CCN(CC)[C@H](C[N-]S(=O)(=O)c1c(F)cccc1F)c1ccccc1 ZINC000060950210 493960562 /nfs/dbraw/zinc/96/05/62/493960562.db2.gz LCILEOQJUMLYEF-QGZVFWFLSA-N -1 3 368.449 3.326 20 0 FGADHM O=C(NCC1(N2CCSCC2)CCCC1)c1ccc([O-])c(Cl)c1 ZINC000031961418 493968186 /nfs/dbraw/zinc/96/81/86/493968186.db2.gz KIZVOTFOIYIFGU-UHFFFAOYSA-N -1 3 354.903 3.137 20 0 FGADHM COc1ccc(C(=O)NCc2nccn2CCCc2ccccc2)c([O-])c1 ZINC000081933029 493968551 /nfs/dbraw/zinc/96/85/51/493968551.db2.gz SPSXAKIOLSLFSH-UHFFFAOYSA-N -1 3 365.433 3.160 20 0 FGADHM CCc1cccc(C(=O)Nc2ccc(NS(=O)(=O)CC)c(C)c2)c1[O-] ZINC000081944452 493971488 /nfs/dbraw/zinc/97/14/88/493971488.db2.gz ICNYAWBMEXPVPI-UHFFFAOYSA-N -1 3 362.451 3.277 20 0 FGADHM CCc1ccc([C@H](C[N-]S(=O)(=O)c2cc(F)ccc2F)N(C)C)cc1 ZINC000069604165 493985051 /nfs/dbraw/zinc/98/50/51/493985051.db2.gz BPWWXNPERPWSEP-KRWDZBQOSA-N -1 3 368.449 3.108 20 0 FGADHM COC(=O)C[C@H]([N-]S(=O)(=O)c1ccc(C)c(Cl)c1)c1cccs1 ZINC000032412425 493986984 /nfs/dbraw/zinc/98/69/84/493986984.db2.gz ZZRSVRGTTQONGH-ZDUSSCGKSA-N -1 3 373.883 3.293 20 0 FGADHM Cc1cc(C)n(-c2ccc(C(=O)Nc3nnc(-c4ccco4)[n-]3)cc2F)n1 ZINC000069701989 493999125 /nfs/dbraw/zinc/99/91/25/493999125.db2.gz RROSWLHGAJEXBH-UHFFFAOYSA-N -1 3 366.356 3.259 20 0 FGADHM Cc1cc(C)n(-c2ccc(C(=O)Nc3nc(-c4ccco4)n[n-]3)cc2F)n1 ZINC000069701989 493999132 /nfs/dbraw/zinc/99/91/32/493999132.db2.gz RROSWLHGAJEXBH-UHFFFAOYSA-N -1 3 366.356 3.259 20 0 FGADHM Cc1cc(C)n(-c2ccc(C(=O)Nc3n[n-]c(-c4ccco4)n3)cc2F)n1 ZINC000069701989 493999138 /nfs/dbraw/zinc/99/91/38/493999138.db2.gz RROSWLHGAJEXBH-UHFFFAOYSA-N -1 3 366.356 3.259 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C3=Cc4ccccc4OC3)c2)n1 ZINC000061967965 494000681 /nfs/dbraw/zinc/00/06/81/494000681.db2.gz MKBGHRAEMAJPSG-UHFFFAOYSA-N -1 3 373.412 3.414 20 0 FGADHM CN(Cc1ccc(OC(F)F)cc1)C(=O)c1c[n-]c2ccccc2c1=O ZINC000032680566 494004992 /nfs/dbraw/zinc/00/49/92/494004992.db2.gz UKYJWKGEDAORRZ-UHFFFAOYSA-N -1 3 358.344 3.402 20 0 FGADHM CCc1ccc([C@H](CNC(=O)c2c[n-]c3ccccc3c2=O)N(C)C)cc1 ZINC000032735053 494009922 /nfs/dbraw/zinc/00/99/22/494009922.db2.gz SAFRYRJOBHMHDH-FQEVSTJZSA-N -1 3 363.461 3.123 20 0 FGADHM O=C(NN=c1ccc(Cl)n[n-]1)N[C@H](c1ccc(F)cc1)c1ccccn1 ZINC000069878687 494024031 /nfs/dbraw/zinc/02/40/31/494024031.db2.gz BZNZVEJLKNAGNI-MRXNPFEDSA-N -1 3 372.791 3.080 20 0 FGADHM CC(C)c1csc2[n-]c(CC(=O)NCCc3ccccc3)nc(=O)c12 ZINC000069980335 494034317 /nfs/dbraw/zinc/03/43/17/494034317.db2.gz ZHAWOFASRCXPMV-UHFFFAOYSA-N -1 3 355.463 3.009 20 0 FGADHM CCOCCOc1ccc(S(=O)(=O)[N-]c2ccc(C)c(F)c2)cc1 ZINC000063442334 494054095 /nfs/dbraw/zinc/05/40/95/494054095.db2.gz VBZPXVGSVNLKHI-UHFFFAOYSA-N -1 3 353.415 3.350 20 0 FGADHM COc1cccc(C(C)(C)CNC(=O)c2c[n-]nc2-c2ccccn2)c1 ZINC000568455818 505697601 /nfs/dbraw/zinc/69/76/01/505697601.db2.gz FCUAFSMUHNUVGI-UHFFFAOYSA-N -1 3 350.422 3.188 20 0 FGADHM CCC[C@H](C)N(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000052902300 494074031 /nfs/dbraw/zinc/07/40/31/494074031.db2.gz CLJCMUMSRDFKDA-LBPRGKRZSA-N -1 3 367.446 3.215 20 0 FGADHM CC(=O)Nc1ccc(F)c(C(=O)[N-]c2nnc(Cc3ccccc3)s2)c1 ZINC000052938998 494077940 /nfs/dbraw/zinc/07/79/40/494077940.db2.gz HOFVHWXZNJOHTH-UHFFFAOYSA-N -1 3 370.409 3.479 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2cccc(-c3noc(C)n3)c2)c(C)c1 ZINC000063849585 494093385 /nfs/dbraw/zinc/09/33/85/494093385.db2.gz PIOBYABUCIVWLM-UHFFFAOYSA-N -1 3 359.407 3.163 20 0 FGADHM C[C@@H](OCCCNC(=O)c1cc(=O)c2ccccc2[n-]1)c1ccccc1 ZINC000053143892 494097715 /nfs/dbraw/zinc/09/77/15/494097715.db2.gz UIZSCNPNUKQERW-OAHLLOKOSA-N -1 3 350.418 3.426 20 0 FGADHM COc1cc(CNc2ccc(N(C)C)nc2)cc(Br)c1[O-] ZINC000036988816 494100710 /nfs/dbraw/zinc/10/07/10/494100710.db2.gz DQMDVNBFZMHNLQ-UHFFFAOYSA-N -1 3 352.232 3.236 20 0 FGADHM COc1cccc([C@@H](CNC(=O)c2cc(C)ccc2[O-])N2CCCC2)c1 ZINC000071798478 494101743 /nfs/dbraw/zinc/10/17/43/494101743.db2.gz YBQNLXNFKDGFSU-LJQANCHMSA-N -1 3 354.450 3.276 20 0 FGADHM CC(C)N(CC[N-]S(=O)(=O)c1cc(Cl)sc1Cl)C(C)C ZINC000038638097 494115598 /nfs/dbraw/zinc/11/55/98/494115598.db2.gz OLMXTFJUSQUQEM-UHFFFAOYSA-N -1 3 359.344 3.452 20 0 FGADHM O=C(CCC(=O)c1ccc2ccccc2c1)Nc1nc(-c2ccccn2)n[n-]1 ZINC000053525627 494142690 /nfs/dbraw/zinc/14/26/90/494142690.db2.gz JBTBBDJYJWRVFP-UHFFFAOYSA-N -1 3 371.400 3.043 20 0 FGADHM CO[C@H](C)C(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C)cc2C)c1 ZINC000064938199 494159983 /nfs/dbraw/zinc/15/99/83/494159983.db2.gz JTUCISXJDQKTQC-CQSZACIVSA-N -1 3 362.451 3.078 20 0 FGADHM CN(CCCC[N-]S(=O)(=O)c1ccc(F)c(F)c1)c1ccccc1 ZINC000064953205 494161188 /nfs/dbraw/zinc/16/11/88/494161188.db2.gz ZKROBXNDBTYMMY-UHFFFAOYSA-N -1 3 354.422 3.160 20 0 FGADHM CC(C)Oc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])cc1 ZINC000053820031 494168825 /nfs/dbraw/zinc/16/88/25/494168825.db2.gz UQMUFVVXKVWCAI-GOSISDBHSA-N -1 3 368.433 3.423 20 0 FGADHM CCCCc1nnc([N-]C(=O)c2ccccc2S(=O)(=O)C(C)C)s1 ZINC000041760372 494174570 /nfs/dbraw/zinc/17/45/70/494174570.db2.gz VFUWFXOEASLTDV-UHFFFAOYSA-N -1 3 367.496 3.315 20 0 FGADHM CCN(CC)[C@@H](CNC(=O)c1cc(=O)c2ccccc2[n-]1)c1ccccc1 ZINC000041801063 494179142 /nfs/dbraw/zinc/17/91/42/494179142.db2.gz MSBXSMYPFGQBAK-FQEVSTJZSA-N -1 3 363.461 3.341 20 0 FGADHM Cc1cc(C(=O)[N-]c2nc3c(s2)CN(Cc2ccccc2)CC3)on1 ZINC000011765789 494189823 /nfs/dbraw/zinc/18/98/23/494189823.db2.gz ZEYVZWGWWULZBD-UHFFFAOYSA-N -1 3 354.435 3.250 20 0 FGADHM O=S(=O)([N-]C1CCN(Cc2cccc(Cl)c2)CC1)c1cccs1 ZINC000054146364 494199729 /nfs/dbraw/zinc/19/97/29/494199729.db2.gz NSYXXRPNKIUEOQ-UHFFFAOYSA-N -1 3 370.927 3.344 20 0 FGADHM COc1cccc(C(=O)N(C)Cc2ccc(Br)cc2)c1[O-] ZINC000042252404 494212893 /nfs/dbraw/zinc/21/28/93/494212893.db2.gz DGOGOMUCEITVBA-UHFFFAOYSA-N -1 3 350.212 3.436 20 0 FGADHM CCOC(=O)c1c(C(C)C)csc1[N-]C(=O)C(=O)N(C)C[C@@H](C)CC ZINC000072619061 494218259 /nfs/dbraw/zinc/21/82/59/494218259.db2.gz PAPSRTJCFPSHBH-LBPRGKRZSA-N -1 3 368.499 3.491 20 0 FGADHM O=S(=O)([N-][C@H]1CCCC[C@@H]1n1cccn1)c1ccc(Cl)cc1F ZINC000072729176 494242704 /nfs/dbraw/zinc/24/27/04/494242704.db2.gz YPAGWDZJHBXPBY-KBPBESRZSA-N -1 3 357.838 3.138 20 0 FGADHM CC(C)OCc1cccc(NC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)c1 ZINC000065828127 494243336 /nfs/dbraw/zinc/24/33/36/494243336.db2.gz QCGXVNAOVWTTTN-UHFFFAOYSA-N -1 3 353.378 3.139 20 0 FGADHM Cc1c(C(=O)[N-]c2nnc(-c3ccco3)s2)nnn1-c1cccc(C)c1 ZINC000054516844 494243430 /nfs/dbraw/zinc/24/34/30/494243430.db2.gz SZBWTOMTIRHOSL-UHFFFAOYSA-N -1 3 366.406 3.248 20 0 FGADHM CCN1CCN(c2ccc(NC(=O)c3cccc(OC)c3[O-])c(C)c2)CC1 ZINC000078282284 494269958 /nfs/dbraw/zinc/26/99/58/494269958.db2.gz PLJGPAJIMCHFKP-UHFFFAOYSA-N -1 3 369.465 3.103 20 0 FGADHM Cc1ccc([O-])c(C(=O)N2CCC(NC(=O)Nc3ccc(F)cc3)CC2)c1 ZINC000078286603 494270448 /nfs/dbraw/zinc/27/04/48/494270448.db2.gz IMTBMCKSVYRGEY-UHFFFAOYSA-N -1 3 371.412 3.266 20 0 FGADHM C[C@@H](c1ccc(F)cc1)N(C)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000055199497 494313155 /nfs/dbraw/zinc/31/31/55/494313155.db2.gz SCECRNRRJOVCHR-LBPRGKRZSA-N -1 3 350.415 3.030 20 0 FGADHM COc1ccc([C@@H](NC(=O)c2cc(NC(C)=O)ccc2[O-])C2CC2)cc1 ZINC000055219395 494315906 /nfs/dbraw/zinc/31/59/06/494315906.db2.gz VOILIADRPKKTCH-IBGZPJMESA-N -1 3 354.406 3.240 20 0 FGADHM O=C(NC[C@H](c1ccco1)N1CCCCC1)c1cc(=O)c2ccccc2[n-]1 ZINC000055415947 494341178 /nfs/dbraw/zinc/34/11/78/494341178.db2.gz JJPMIZIOWCXOFZ-GOSISDBHSA-N -1 3 365.433 3.078 20 0 FGADHM CC[C@@H](C)Cc1c(C)sc2[n-]c(CC(=O)NC3CCCC3)nc(=O)c12 ZINC000055503346 494353762 /nfs/dbraw/zinc/35/37/62/494353762.db2.gz OHSDYWJUGQFIQK-LLVKDONJSA-N -1 3 361.511 3.483 20 0 FGADHM O=C(Cc1nc(=O)c2c3c(sc2[n-]1)CCCCC3)Nc1ccccc1 ZINC000055502382 494353940 /nfs/dbraw/zinc/35/39/40/494353940.db2.gz DPSFUCPSHRHJDE-UHFFFAOYSA-N -1 3 353.447 3.435 20 0 FGADHM C[C@@]1(c2nc(-c3ccc4n[n-]nc4c3)no2)CCCN1C(=O)c1ccccc1 ZINC000577378249 505716642 /nfs/dbraw/zinc/71/66/42/505716642.db2.gz OZDZVZCTKXJQAZ-FQEVSTJZSA-N -1 3 374.404 3.159 20 0 FGADHM CCCc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NC)ccc2Cl)cc1 ZINC000055620476 494374243 /nfs/dbraw/zinc/37/42/43/494374243.db2.gz ZRHYGRHOTYIMQW-UHFFFAOYSA-N -1 3 366.870 3.453 20 0 FGADHM CCN(Cc1cccc(F)c1)C(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000044915965 494388076 /nfs/dbraw/zinc/38/80/76/494388076.db2.gz WZPWVSHJZNZSHG-SFHVURJKSA-N -1 3 370.424 3.185 20 0 FGADHM C[C@@H](COc1ccc(F)cc1F)NC(=O)c1c[n-]c2ccccc2c1=O ZINC000055699181 494392535 /nfs/dbraw/zinc/39/25/35/494392535.db2.gz ULUZDJNLMNAELF-NSHDSACASA-N -1 3 358.344 3.004 20 0 FGADHM CCc1nnc([N-]C(=O)c2nc(-n3nc(C)cc3C)ccc2Cl)s1 ZINC000073569626 494393365 /nfs/dbraw/zinc/39/33/65/494393365.db2.gz NVDSPICYPGWMHI-UHFFFAOYSA-N -1 3 362.846 3.204 20 0 FGADHM CCNC(=O)CSCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000045165104 494403047 /nfs/dbraw/zinc/40/30/47/494403047.db2.gz QJQMBNGLSWBUDZ-UHFFFAOYSA-N -1 3 359.476 3.021 20 0 FGADHM O=C(c1cc(=O)c2ccccc2[n-]1)N(Cc1ccccc1)C[C@@H]1CCCO1 ZINC000056148987 494461258 /nfs/dbraw/zinc/46/12/58/494461258.db2.gz YLZWDXRHYDNMSO-KRWDZBQOSA-N -1 3 362.429 3.350 20 0 FGADHM CC(C)c1ccc(OCCC(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000067141636 494483247 /nfs/dbraw/zinc/48/32/47/494483247.db2.gz YMPYADOGGPOBDG-UHFFFAOYSA-N -1 3 351.410 3.398 20 0 FGADHM CC(C)c1ccc(OCCC(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000067141636 494483250 /nfs/dbraw/zinc/48/32/50/494483250.db2.gz YMPYADOGGPOBDG-UHFFFAOYSA-N -1 3 351.410 3.398 20 0 FGADHM Cc1nnc(NC(=O)c2c[n-]nc2-c2cccc(OC(F)F)c2)s1 ZINC000079685116 494506672 /nfs/dbraw/zinc/50/66/72/494506672.db2.gz XPTIXSBXFZLGOJ-UHFFFAOYSA-N -1 3 351.338 3.090 20 0 FGADHM Cc1nnc(NC(=O)c2cn[n-]c2-c2cccc(OC(F)F)c2)s1 ZINC000079685116 494506676 /nfs/dbraw/zinc/50/66/76/494506676.db2.gz XPTIXSBXFZLGOJ-UHFFFAOYSA-N -1 3 351.338 3.090 20 0 FGADHM COC[C@H]([N-]S(=O)(=O)c1ccc(OC(C)C)cc1)c1ccc(C)o1 ZINC000091043762 494517170 /nfs/dbraw/zinc/51/71/70/494517170.db2.gz RLTGORZLDBZAGC-INIZCTEOSA-N -1 3 353.440 3.041 20 0 FGADHM C[C@H]1CN(C(=O)NCc2ccc([O-])c(F)c2)C[C@H](c2ccc(F)cc2)O1 ZINC000074374700 494526003 /nfs/dbraw/zinc/52/60/03/494526003.db2.gz 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20 0 FGADHM O=C(Cc1ccc2c(c1)OCCO2)Nc1cc(Br)ccc1[O-] ZINC000126546469 494786717 /nfs/dbraw/zinc/78/67/17/494786717.db2.gz FLWAMLPFOSCLJI-UHFFFAOYSA-N -1 3 364.195 3.107 20 0 FGADHM Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)o1 ZINC000075544018 494791290 /nfs/dbraw/zinc/79/12/90/494791290.db2.gz JTXVPRPXTBOSCV-ZBEGNZNMSA-N -1 3 367.405 3.477 20 0 FGADHM O=C(Nc1cc(Cl)ccc1[O-])[C@@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 ZINC000108821775 494792315 /nfs/dbraw/zinc/79/23/15/494792315.db2.gz KKNYZCQOMGOEFW-SECBINFHSA-N -1 3 366.751 3.315 20 0 FGADHM CS(=O)(=O)[N-]c1ccc(C(=O)N(CC2CC2)C2CCCCC2)cc1 ZINC000075560455 494795184 /nfs/dbraw/zinc/79/51/84/494795184.db2.gz RUFKPAMSMXTICS-UHFFFAOYSA-N -1 3 350.484 3.243 20 0 FGADHM O=C(c1c([O-])cccc1O)N1CCN(c2ccc(C(F)(F)F)cc2)CC1 ZINC000092125988 494797225 /nfs/dbraw/zinc/79/72/25/494797225.db2.gz WONRLIUVQAPXJQ-UHFFFAOYSA-N -1 3 366.339 3.079 20 0 FGADHM COc1ccc([O-])c(C(=O)Nc2cc(Cl)ccc2N2CCOCC2)c1 ZINC000121558473 494802497 /nfs/dbraw/zinc/80/24/97/494802497.db2.gz AQQAZOHBXSHMCS-UHFFFAOYSA-N -1 3 362.813 3.143 20 0 FGADHM CCCc1nc(=NC(=O)NCC(C)(C)N[C@@H](C)c2ccccc2)s[n-]1 ZINC000571485387 505743856 /nfs/dbraw/zinc/74/38/56/505743856.db2.gz OWJNSIQTVLDUJJ-ZDUSSCGKSA-N -1 3 361.515 3.163 20 0 FGADHM Cc1sc2[n-]c(CN3CCOC[C@@H]3C)nc(=O)c2c1-c1ccc(C)cc1 ZINC000026451353 494825848 /nfs/dbraw/zinc/82/58/48/494825848.db2.gz RKJZKVMIRLFSTL-ZDUSSCGKSA-N -1 3 369.490 3.489 20 0 FGADHM CC(=O)NCc1ccc(S(=O)(=O)[N-][C@H]2CCCC[C@H]2C(C)(C)C)s1 ZINC000026837450 494841571 /nfs/dbraw/zinc/84/15/71/494841571.db2.gz XXUPYAWUPFSHNP-CABCVRRESA-N -1 3 372.556 3.267 20 0 FGADHM O=C(NCCN1CCc2sccc2C1)c1cc2c(cc1[O-])CCCC2 ZINC000109191099 494843428 /nfs/dbraw/zinc/84/34/28/494843428.db2.gz HJROPBJYSZMWEK-UHFFFAOYSA-N -1 3 356.491 3.121 20 0 FGADHM Cc1cccc(NC(=O)[C@H]2CSCN2C(=O)c2ccccc2[O-])c1C ZINC000109213689 494847089 /nfs/dbraw/zinc/84/70/89/494847089.db2.gz CGOVVTVTKXDSCZ-MRXNPFEDSA-N -1 3 356.447 3.163 20 0 FGADHM Cc1ccc(C(=O)N2CSC[C@H]2C(=O)Nc2cccc(C)c2C)c([O-])c1 ZINC000109213646 494847202 /nfs/dbraw/zinc/84/72/02/494847202.db2.gz STEOAFKNMKTZPS-KRWDZBQOSA-N -1 3 370.474 3.471 20 0 FGADHM Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2ccc(C)cc2[O-])cc1 ZINC000109216446 494847696 /nfs/dbraw/zinc/84/76/96/494847696.db2.gz BODMTNDABGUXSU-MRXNPFEDSA-N -1 3 356.447 3.163 20 0 FGADHM Cc1cc([N-]C(=O)[C@H](C)Nc2ccc(NC(=O)c3ccco3)cc2)on1 ZINC000026988922 494847939 /nfs/dbraw/zinc/84/79/39/494847939.db2.gz VFKVAUOPNCTPFR-LBPRGKRZSA-N -1 3 354.366 3.267 20 0 FGADHM CCc1nc(-c2ccccc2NC(=O)c2cc(C)cc(OC)c2[O-])n[nH]1 ZINC000093247387 494852475 /nfs/dbraw/zinc/85/24/75/494852475.db2.gz YCBPRHZGTZTCFT-UHFFFAOYSA-N -1 3 352.394 3.309 20 0 FGADHM O=c1[n-]c(CN(Cc2ccccc2)C2CC2)nc2c1cnn2-c1ccccc1 ZINC000116792270 494854458 /nfs/dbraw/zinc/85/44/58/494854458.db2.gz LVNHUWHTXUTUMV-UHFFFAOYSA-N -1 3 371.444 3.273 20 0 FGADHM O=S(=O)([N-]C[C@@H]1CCC[C@H](O)C1)c1ccc(Cl)cc1C(F)(F)F ZINC000121762595 494855362 /nfs/dbraw/zinc/85/53/62/494855362.db2.gz HGGUUXDFBMWTPK-KOLCDFICSA-N -1 3 371.808 3.188 20 0 FGADHM Cc1cc(Cl)cc(NC(=O)CCCc2ccc3[nH]c(=O)[nH]c3c2)c1[O-] ZINC000116978821 494878289 /nfs/dbraw/zinc/87/82/89/494878289.db2.gz ALBURQAPLOESGQ-UHFFFAOYSA-N -1 3 359.813 3.485 20 0 FGADHM Cc1cc(Cl)cc(NC(=O)CNC(=O)c2cc(F)cc(F)c2)c1[O-] ZINC000116978870 494878412 /nfs/dbraw/zinc/87/84/12/494878412.db2.gz FQKWVNPLRXIENW-UHFFFAOYSA-N -1 3 354.740 3.001 20 0 FGADHM Cc1nc(C)c(Cc2nc(-c3cccc(C(F)(F)F)c3)no2)c(=O)[n-]1 ZINC000109489078 494882315 /nfs/dbraw/zinc/88/23/15/494882315.db2.gz KZUUUIBEVSWLSX-UHFFFAOYSA-N -1 3 350.300 3.046 20 0 FGADHM CC(C)N(Cc1ccccc1)C(=O)CSc1n[n-]c(-c2ccccn2)n1 ZINC000117115962 494893460 /nfs/dbraw/zinc/89/34/60/494893460.db2.gz NHFKHSADHHQHFL-UHFFFAOYSA-N -1 3 367.478 3.396 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(NC(C)=O)c2)c(C)c1C ZINC000117228405 494902004 /nfs/dbraw/zinc/90/20/04/494902004.db2.gz UPKHNWNTFQVHOI-UHFFFAOYSA-N -1 3 362.451 3.380 20 0 FGADHM O=S(=O)(CCOc1ccc(F)cc1)[N-]c1cccc(-c2ncco2)c1 ZINC000132758805 494920534 /nfs/dbraw/zinc/92/05/34/494920534.db2.gz CRWRCVHFYPIWGC-UHFFFAOYSA-N -1 3 362.382 3.301 20 0 FGADHM Cc1noc(C)c1S(=O)(=O)[N-]CC1(c2ccc(F)cc2Cl)CC1 ZINC000132794506 494925726 /nfs/dbraw/zinc/92/57/26/494925726.db2.gz MEYYUEKOLGQYCM-UHFFFAOYSA-N -1 3 358.822 3.094 20 0 FGADHM Cc1c2cc(F)ccc2sc1C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000109875014 494928849 /nfs/dbraw/zinc/92/88/49/494928849.db2.gz DUGSIJQUMFMGSX-UHFFFAOYSA-N -1 3 367.409 3.459 20 0 FGADHM Cc1c2cc(F)ccc2sc1C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000109875014 494928852 /nfs/dbraw/zinc/92/88/52/494928852.db2.gz DUGSIJQUMFMGSX-UHFFFAOYSA-N -1 3 367.409 3.459 20 0 FGADHM CCc1ccc([O-])c(C(=O)N[C@H](c2nccn2C)c2ccc(OC)cc2)c1 ZINC000093910626 494934388 /nfs/dbraw/zinc/93/43/88/494934388.db2.gz LAGCRNBKKXALQR-IBGZPJMESA-N -1 3 365.433 3.216 20 0 FGADHM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCC1(C)C ZINC000568678195 505750632 /nfs/dbraw/zinc/75/06/32/505750632.db2.gz ZONSRZYXHFDZHO-IAQYHMDHSA-N -1 3 361.891 3.221 20 0 FGADHM CCc1cccc(C(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C(C)C)c1[O-] ZINC000094035319 494941846 /nfs/dbraw/zinc/94/18/46/494941846.db2.gz HYCIPHGDQHJCNZ-UHFFFAOYSA-N -1 3 365.433 3.242 20 0 FGADHM CC(C)(C)OC(=O)C1CCC(NC(=O)NCc2ccc([O-])c(F)c2)CC1 ZINC000094062721 494945146 /nfs/dbraw/zinc/94/51/46/494945146.db2.gz GOBYENZXTRCBBQ-UHFFFAOYSA-N -1 3 366.433 3.231 20 0 FGADHM O=C(Nc1ccccc1[O-])C1CCN(c2ccc(OC(F)F)cn2)CC1 ZINC000094132808 494953228 /nfs/dbraw/zinc/95/32/28/494953228.db2.gz UPBZWWIFFRGPPD-UHFFFAOYSA-N -1 3 363.364 3.244 20 0 FGADHM CCc1cccc(C(=O)Nc2cc(CN3CCOCC3)ccc2C)c1[O-] ZINC000094162747 494955709 /nfs/dbraw/zinc/95/57/09/494955709.db2.gz VNTRXITZPKXDJX-UHFFFAOYSA-N -1 3 354.450 3.348 20 0 FGADHM Cc1cc(C(=O)NCc2ccc([O-])c(F)c2)c(C)n1Cc1ccccn1 ZINC000133035408 494959239 /nfs/dbraw/zinc/95/92/39/494959239.db2.gz CSYOYEGUAXIMOZ-UHFFFAOYSA-N -1 3 353.397 3.323 20 0 FGADHM O=C(Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)c1ccc2[nH]ccc2c1 ZINC000133054839 494962229 /nfs/dbraw/zinc/96/22/29/494962229.db2.gz SIABXYCQOQDMOL-UHFFFAOYSA-N -1 3 373.409 3.000 20 0 FGADHM CCCCN1CCCC[C@@H]1C[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000110266462 494963109 /nfs/dbraw/zinc/96/31/09/494963109.db2.gz YNQMYRDVITZYNN-GFCCVEGCSA-N -1 3 364.433 3.037 20 0 FGADHM C[C@@H](CNC(=O)c1ccc(Br)c([O-])c1)N1CCC[C@@H](C)C1 ZINC000133108303 494970478 /nfs/dbraw/zinc/97/04/78/494970478.db2.gz FSEBXMGDBRUWTK-NEPJUHHUSA-N -1 3 355.276 3.005 20 0 FGADHM CCCCS[C@@H](C)C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000133107222 494970613 /nfs/dbraw/zinc/97/06/13/494970613.db2.gz GZYFRDGOARZHMT-NSHDSACASA-N -1 3 374.503 3.127 20 0 FGADHM Cn1c2ccccc2c(Cl)c1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000122475537 494981665 /nfs/dbraw/zinc/98/16/65/494981665.db2.gz RGJKATYRBXPQAE-UHFFFAOYSA-N -1 3 352.785 3.264 20 0 FGADHM Cn1c2ccccc2c(Cl)c1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000122475537 494981669 /nfs/dbraw/zinc/98/16/69/494981669.db2.gz RGJKATYRBXPQAE-UHFFFAOYSA-N -1 3 352.785 3.264 20 0 FGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(NC(=O)Cc2cccs2)ccc1F ZINC000133239272 494988518 /nfs/dbraw/zinc/98/85/18/494988518.db2.gz UURMEWVOVKQICK-UHFFFAOYSA-N -1 3 370.471 3.145 20 0 FGADHM C[C@H](CNC(=O)c1ccc(Br)c([O-])c1)N1CCC(C)CC1 ZINC000133311143 494999119 /nfs/dbraw/zinc/99/91/19/494999119.db2.gz NKQWMWSIPOYNCT-GFCCVEGCSA-N -1 3 355.276 3.005 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)[C@H]1CCCN(C2CCC2)C1 ZINC000133357958 495005139 /nfs/dbraw/zinc/00/51/39/495005139.db2.gz XSYLUOQTQPMRQO-OLZOCXBDSA-N -1 3 374.909 3.410 20 0 FGADHM COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)c1cc(C)ccc1[O-] ZINC000127832750 495005609 /nfs/dbraw/zinc/00/56/09/495005609.db2.gz RRYRJPQFLNMNNO-UHFFFAOYSA-N -1 3 362.813 3.073 20 0 FGADHM CC[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1)OC ZINC000574369018 505756901 /nfs/dbraw/zinc/75/69/01/505756901.db2.gz YZORFEPOQKBODV-AWEZNQCLSA-N -1 3 361.891 3.222 20 0 FGADHM O=C(Cc1cc(F)ccc1Br)Nc1nnc(-c2ccco2)[n-]1 ZINC000128055074 495038063 /nfs/dbraw/zinc/03/80/63/495038063.db2.gz FBRAMVRSUPGHSG-UHFFFAOYSA-N -1 3 365.162 3.148 20 0 FGADHM O=C(Cc1cc(F)ccc1Br)Nc1nc(-c2ccco2)n[n-]1 ZINC000128055074 495038066 /nfs/dbraw/zinc/03/80/66/495038066.db2.gz FBRAMVRSUPGHSG-UHFFFAOYSA-N -1 3 365.162 3.148 20 0 FGADHM O=C(Cc1cc(F)ccc1Br)Nc1n[n-]c(-c2ccco2)n1 ZINC000128055074 495038070 /nfs/dbraw/zinc/03/80/70/495038070.db2.gz FBRAMVRSUPGHSG-UHFFFAOYSA-N -1 3 365.162 3.148 20 0 FGADHM COc1cc(C)cc(C(=O)Nc2ccc(CN(C(C)=O)C3CC3)cc2)c1[O-] ZINC000128124610 495049084 /nfs/dbraw/zinc/04/90/84/495049084.db2.gz MNDCWXIZPOCBQI-UHFFFAOYSA-N -1 3 368.433 3.472 20 0 FGADHM CNC(=O)c1ccc(OC)c(NCc2cc([O-])ccc2Br)c1 ZINC000118941220 495053659 /nfs/dbraw/zinc/05/36/59/495053659.db2.gz PJRCKIHOZPOWMP-UHFFFAOYSA-N -1 3 365.227 3.135 20 0 FGADHM CC(C)c1nc(S(=O)(=O)[N-][C@H](C)c2cccc(OC(F)F)c2)c[nH]1 ZINC000122934428 495055777 /nfs/dbraw/zinc/05/57/77/495055777.db2.gz IFLROAHQDODBFA-SNVBAGLBSA-N -1 3 359.398 3.174 20 0 FGADHM CO[C@@H](CNC(=O)NCc1ccc([O-])c(Br)c1)C(C)(C)C ZINC000133922940 495081400 /nfs/dbraw/zinc/08/14/00/495081400.db2.gz KHEDVXNDOCSKAY-ZDUSSCGKSA-N -1 3 359.264 3.015 20 0 FGADHM O=S(=O)([N-]C1CCSCC1)c1ccc(Br)cc1Cl ZINC000133987684 495089901 /nfs/dbraw/zinc/08/99/01/495089901.db2.gz YZLYRSTYUBGTEJ-UHFFFAOYSA-N -1 3 370.721 3.276 20 0 FGADHM COc1ccc([O-])c(C(=O)NCCC(=O)Nc2cccc(Cl)c2C)c1 ZINC000101671433 495090447 /nfs/dbraw/zinc/09/04/47/495090447.db2.gz BIMIOXWBPYOQPC-UHFFFAOYSA-N -1 3 362.813 3.121 20 0 FGADHM Cc1cccc(-c2cncc(C(=O)NCc3ccc(-c4nnn[n-]4)cc3)c2)c1 ZINC000133993926 495091578 /nfs/dbraw/zinc/09/15/78/495091578.db2.gz FLAAAVSDARYYGL-UHFFFAOYSA-N -1 3 370.416 3.167 20 0 FGADHM Cc1cccc(-c2cncc(C(=O)NCc3ccc(-c4nn[n-]n4)cc3)c2)c1 ZINC000133993926 495091582 /nfs/dbraw/zinc/09/15/82/495091582.db2.gz FLAAAVSDARYYGL-UHFFFAOYSA-N -1 3 370.416 3.167 20 0 FGADHM Cc1ccc(C(=O)NCCCC(=O)N2Cc3ccccc3C2)c([O-])c1C ZINC000111655967 495091762 /nfs/dbraw/zinc/09/17/62/495091762.db2.gz BJQBUIVFJRFHPH-UHFFFAOYSA-N -1 3 352.434 3.061 20 0 FGADHM O=C(c1cc(OCc2ccccc2)ccc1[O-])N1CCOC2(CCC2)C1 ZINC000134135126 495111059 /nfs/dbraw/zinc/11/10/59/495111059.db2.gz UUMYJJLFQNVGBU-UHFFFAOYSA-N -1 3 353.418 3.366 20 0 FGADHM COC(=O)c1c(C)nc(=O)[n-]c1S[C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000123336955 495117113 /nfs/dbraw/zinc/11/71/13/495117113.db2.gz MAWSHRSFFHTTFW-NSHDSACASA-N -1 3 371.418 3.373 20 0 FGADHM O=C(COc1ccccc1OCC(F)(F)F)Nc1cccc([O-])c1F ZINC000128627020 495125970 /nfs/dbraw/zinc/12/59/70/495125970.db2.gz ASMKLKURDMESLJ-UHFFFAOYSA-N -1 3 359.275 3.490 20 0 FGADHM O=C(Nc1ccc([O-])cc1F)c1csc(I)c1 ZINC000123427987 495131262 /nfs/dbraw/zinc/13/12/62/495131262.db2.gz BEBRRLZNLAYZGW-UHFFFAOYSA-N -1 3 363.151 3.450 20 0 FGADHM Cc1ccc(-c2nc(C)c(C(=O)Nc3cc(-c4nccn4C)[n-]n3)s2)o1 ZINC000119395415 495157820 /nfs/dbraw/zinc/15/78/20/495157820.db2.gz KOVXJXFCNXWIOD-UHFFFAOYSA-N -1 3 368.422 3.396 20 0 FGADHM Cc1ccc(-c2nc(C)c(C(=O)Nc3cc(-c4nccn4C)n[n-]3)s2)o1 ZINC000119395415 495157823 /nfs/dbraw/zinc/15/78/23/495157823.db2.gz KOVXJXFCNXWIOD-UHFFFAOYSA-N -1 3 368.422 3.396 20 0 FGADHM Cc1oc(-c2cccs2)nc1CC(=O)Nc1cc(-c2nccn2C)[n-]n1 ZINC000119403531 495160162 /nfs/dbraw/zinc/16/01/62/495160162.db2.gz LRQJEIDQIDRBGX-UHFFFAOYSA-N -1 3 368.422 3.016 20 0 FGADHM Cc1oc(-c2cccs2)nc1CC(=O)Nc1cc(-c2nccn2C)n[n-]1 ZINC000119403531 495160164 /nfs/dbraw/zinc/16/01/64/495160164.db2.gz LRQJEIDQIDRBGX-UHFFFAOYSA-N -1 3 368.422 3.016 20 0 FGADHM COC(=O)C[C@H]([N-]S(=O)(=O)Cc1ccccc1Cl)c1cccs1 ZINC000102775796 495161323 /nfs/dbraw/zinc/16/13/23/495161323.db2.gz FSEFTEVIRUYBGF-ZDUSSCGKSA-N -1 3 373.883 3.125 20 0 FGADHM O=C1[C@@H](Sc2n[n-]c(-c3ccccn3)n2)CCN1c1ccc(Cl)cc1 ZINC000128866513 495161338 /nfs/dbraw/zinc/16/13/38/495161338.db2.gz FJHQJNKTILYAHD-AWEZNQCLSA-N -1 3 371.853 3.418 20 0 FGADHM O=C([O-])[C@H](c1ccc(F)cc1)N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000574406053 505766052 /nfs/dbraw/zinc/76/60/52/505766052.db2.gz HWEMMGTUCIXIMX-ROUUACIJSA-N -1 3 351.418 3.002 20 0 FGADHM Cc1nc(-c2cccc(C(=O)Nc3cc(-c4nccn4C)[n-]n3)c2)cs1 ZINC000119528569 495183592 /nfs/dbraw/zinc/18/35/92/495183592.db2.gz ZJZTWESCUBWUTF-UHFFFAOYSA-N -1 3 364.434 3.494 20 0 FGADHM Cc1nc(-c2cccc(C(=O)Nc3cc(-c4nccn4C)n[n-]3)c2)cs1 ZINC000119528569 495183597 /nfs/dbraw/zinc/18/35/97/495183597.db2.gz ZJZTWESCUBWUTF-UHFFFAOYSA-N -1 3 364.434 3.494 20 0 FGADHM Cc1nc(C)c(CCC(=O)N(C)[C@@H](c2ccccc2)C(F)(F)F)c(=O)[n-]1 ZINC000103050359 495187284 /nfs/dbraw/zinc/18/72/84/495187284.db2.gz JRFHGYPKNJNUAO-INIZCTEOSA-N -1 3 367.371 3.081 20 0 FGADHM O=C(NCCNC(=O)c1ccc([O-])cc1)Nc1cccc(Cl)c1Cl ZINC000119555542 495190176 /nfs/dbraw/zinc/19/01/76/495190176.db2.gz QLQBVWUOUNXKFR-UHFFFAOYSA-N -1 3 368.220 3.251 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCO[C@@H](c3ccc(F)c(C)c3)C2)c1 ZINC000134820607 495206032 /nfs/dbraw/zinc/20/60/32/495206032.db2.gz YOPIZQJPRNOLFB-LJQANCHMSA-N -1 3 372.396 3.012 20 0 FGADHM C[C@H](SCC(=O)Nc1ccc(F)cc1)C(=O)Nc1cccc([O-])c1F ZINC000129230186 495214509 /nfs/dbraw/zinc/21/45/09/495214509.db2.gz UMLLNMUUYQIKFA-JTQLQIEISA-N -1 3 366.389 3.369 20 0 FGADHM Cn1ccnc1-c1cc(NC(=O)c2ccc(OCc3ccccn3)cc2)n[n-]1 ZINC000119701196 495221350 /nfs/dbraw/zinc/22/13/50/495221350.db2.gz GHNHMVJVRNNEGA-UHFFFAOYSA-N -1 3 374.404 3.037 20 0 FGADHM Cn1ccnc1-c1cc(NC(=O)c2ccc(OCc3ccccn3)cc2)[n-]n1 ZINC000119701196 495221354 /nfs/dbraw/zinc/22/13/54/495221354.db2.gz GHNHMVJVRNNEGA-UHFFFAOYSA-N -1 3 374.404 3.037 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-]Cc1cc(C)ccc1OC(F)F ZINC000124246569 495257171 /nfs/dbraw/zinc/25/71/71/495257171.db2.gz QBJDSBUEHAMPDI-UHFFFAOYSA-N -1 3 363.407 3.145 20 0 FGADHM CC(=O)N[C@@H](CC(=O)Nc1cccc([O-])c1F)c1c(F)cccc1F ZINC000129546835 495260464 /nfs/dbraw/zinc/26/04/64/495260464.db2.gz LHGQVNJIYBFTMY-ZDUSSCGKSA-N -1 3 352.312 3.016 20 0 FGADHM Cn1ccnc1-c1cc(NC(=O)c2cccc3c4c([nH]c32)CCCC4)n[n-]1 ZINC000119888377 495263167 /nfs/dbraw/zinc/26/31/67/495263167.db2.gz QOVOKZWGCABJSB-UHFFFAOYSA-N -1 3 360.421 3.423 20 0 FGADHM Cn1ccnc1-c1cc(NC(=O)c2cccc3c4c([nH]c32)CCCC4)[n-]n1 ZINC000119888377 495263173 /nfs/dbraw/zinc/26/31/73/495263173.db2.gz QOVOKZWGCABJSB-UHFFFAOYSA-N -1 3 360.421 3.423 20 0 FGADHM COc1ccc(C(=O)N2CCN([C@@H](C)c3cccc(F)c3)CC2)c([O-])c1 ZINC000104121321 495268385 /nfs/dbraw/zinc/26/83/85/495268385.db2.gz DGXCVGTTWTWHBO-AWEZNQCLSA-N -1 3 358.413 3.059 20 0 FGADHM O=C(NCC(c1ccccc1)c1ccccc1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000104144446 495270118 /nfs/dbraw/zinc/27/01/18/495270118.db2.gz KYNGZDHQJNDTTA-UHFFFAOYSA-N -1 3 370.408 3.132 20 0 FGADHM CCn1c(SCC(=O)Nc2cccc([O-])c2F)nnc1-c1ccco1 ZINC000129657194 495276668 /nfs/dbraw/zinc/27/66/68/495276668.db2.gz OHOKBDWJVVLIQM-UHFFFAOYSA-N -1 3 362.386 3.134 20 0 FGADHM CC1(C)Cc2ccc(C(=O)Nc3ccc(-c4nnco4)cc3)c([O-])c2O1 ZINC000124426887 495285199 /nfs/dbraw/zinc/28/51/99/495285199.db2.gz QRNRXPYJTSHEBA-UHFFFAOYSA-N -1 3 351.362 3.408 20 0 FGADHM Cc1nc(-c2ccc(NC(=O)N[C@@H]3C[C@H](C)n4ccnc43)cc2)cc(=O)[n-]1 ZINC000571614782 505773024 /nfs/dbraw/zinc/77/30/24/505773024.db2.gz WNPYJDAKIXIBJZ-MEDUHNTESA-N -1 3 364.409 3.182 20 0 FGADHM C[C@H](OC1CCCCCC1)C(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000120068312 495299866 /nfs/dbraw/zinc/29/98/66/495299866.db2.gz XFBLEXLSAOEFAH-ZDUSSCGKSA-N -1 3 354.472 3.125 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2C[C@@H]2c2c(F)cccc2Cl)c1 ZINC000129830678 495301566 /nfs/dbraw/zinc/30/15/66/495301566.db2.gz SXNCNOYEHNKPOF-XHDPSFHLSA-N -1 3 362.788 3.429 20 0 FGADHM CC[C@H](NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)c1cc(F)ccc1F ZINC000124532062 495302743 /nfs/dbraw/zinc/30/27/43/495302743.db2.gz GAWOWMFZBBDXTE-HNNXBMFYSA-N -1 3 359.332 3.121 20 0 FGADHM Cc1nc(-c2ccc(NC(=O)N[C@H]3C[C@H](C)n4ccnc43)cc2)cc(=O)[n-]1 ZINC000571614783 505773494 /nfs/dbraw/zinc/77/34/94/505773494.db2.gz WNPYJDAKIXIBJZ-ZBEGNZNMSA-N -1 3 364.409 3.182 20 0 FGADHM CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000104872858 495311836 /nfs/dbraw/zinc/31/18/36/495311836.db2.gz BQENJLNMGQFTNX-APWZRJJASA-N -1 3 362.429 3.369 20 0 FGADHM Cc1cccc2c1CC[C@@H]2NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000104927699 495316578 /nfs/dbraw/zinc/31/65/78/495316578.db2.gz SMFRAQLRQSTNQO-OALUTQOASA-N -1 3 364.445 3.109 20 0 FGADHM CC[C@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)c1csc(=O)[n-]1 ZINC000571622184 505775569 /nfs/dbraw/zinc/77/55/69/505775569.db2.gz OHPRTLDHRAKTRA-LBPRGKRZSA-N -1 3 361.467 3.345 20 0 FGADHM C[C@]1(C[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)CCCC[C@@H]1O ZINC000124845515 495353107 /nfs/dbraw/zinc/35/31/07/495353107.db2.gz WIIKTFWHSGLAHL-UONOGXRCSA-N -1 3 369.380 3.064 20 0 FGADHM COc1cc(Cl)c(S(=O)(=O)[N-]Cc2csc(C)n2)cc1Cl ZINC000105618243 495377529 /nfs/dbraw/zinc/37/75/29/495377529.db2.gz FOMMHFQQQCGFKC-UHFFFAOYSA-N -1 3 367.279 3.245 20 0 FGADHM Cc1ccc(C(=O)N2CCC(C(=O)N3CCc4ccccc43)CC2)c([O-])c1 ZINC000120524928 495397972 /nfs/dbraw/zinc/39/79/72/495397972.db2.gz MJEDJBMGFKRACJ-UHFFFAOYSA-N -1 3 364.445 3.142 20 0 FGADHM COc1cccc(C(=O)NCCc2nc(-c3cccc(Cl)c3)no2)c1[O-] ZINC000114647620 495404770 /nfs/dbraw/zinc/40/47/70/495404770.db2.gz UYTAZSCOBXXQON-UHFFFAOYSA-N -1 3 373.796 3.077 20 0 FGADHM Cc1ccsc1[C@H](CO)[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000125210246 495406607 /nfs/dbraw/zinc/40/66/07/495406607.db2.gz GDVUFBGSCRPOBY-NSHDSACASA-N -1 3 365.398 3.087 20 0 FGADHM O=C(Cc1c[nH]c2cc(Cl)ccc12)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000137001129 495416840 /nfs/dbraw/zinc/41/68/40/495416840.db2.gz IEZVQUIFQGWSAS-UHFFFAOYSA-N -1 3 366.812 3.106 20 0 FGADHM O=C(Cc1c[nH]c2cc(Cl)ccc12)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000137001129 495416842 /nfs/dbraw/zinc/41/68/42/495416842.db2.gz IEZVQUIFQGWSAS-UHFFFAOYSA-N -1 3 366.812 3.106 20 0 FGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)[C@H]1CCCc2sccc21 ZINC000137178843 495427929 /nfs/dbraw/zinc/42/79/29/495427929.db2.gz QXWMGUDRUYHKLG-LBPRGKRZSA-N -1 3 350.465 3.178 20 0 FGADHM O=C(CNC(=O)c1ccc(F)c(F)c1)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000125401012 495438779 /nfs/dbraw/zinc/43/87/79/495438779.db2.gz HQEKYYDRCOCAFF-UHFFFAOYSA-N -1 3 374.265 3.058 20 0 FGADHM Cc1cc(C)cc(-c2nnc([N-]C(=O)c3ccc(C(N)=O)s3)s2)c1 ZINC000115150289 495468755 /nfs/dbraw/zinc/46/87/55/495468755.db2.gz DGPCRDVLEWPSOO-UHFFFAOYSA-N -1 3 358.448 3.235 20 0 FGADHM CCc1cc(=O)[n-]c(CSCC(=O)NCc2ccc(Cl)s2)n1 ZINC000125614305 495471251 /nfs/dbraw/zinc/47/12/51/495471251.db2.gz GRXOAHVFVSFTNI-UHFFFAOYSA-N -1 3 357.888 3.009 20 0 FGADHM CC1(c2ccccc2)CCN(C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)CC1 ZINC000120887734 495479160 /nfs/dbraw/zinc/47/91/60/495479160.db2.gz LDRKVYPHJMCHQQ-UHFFFAOYSA-N -1 3 363.417 3.156 20 0 FGADHM CCc1ccc([C@@H](C)NC(=O)CSCc2nc(CC)cc(=O)[n-]2)cc1 ZINC000125687723 495482582 /nfs/dbraw/zinc/48/25/82/495482582.db2.gz NNNZFQDWOOQKKV-CYBMUJFWSA-N -1 3 359.495 3.418 20 0 FGADHM CC(C)(c1nnc([N-]C(=O)c2ccc(C(N)=O)s2)s1)c1ccccc1 ZINC000106685534 495485782 /nfs/dbraw/zinc/48/57/82/495485782.db2.gz ISZYDDQWVYIASK-UHFFFAOYSA-N -1 3 372.475 3.277 20 0 FGADHM C[C@H](NC(=O)NCc1ccc([O-])c(Br)c1)c1cccc(O)c1 ZINC000140177200 495489894 /nfs/dbraw/zinc/48/98/94/495489894.db2.gz IZWXKBNVRCCWQA-JTQLQIEISA-N -1 3 365.227 3.421 20 0 FGADHM O=C(NC[C@H]1CCCO[C@H]1c1ccccc1)c1cc(=O)c2ccccc2[n-]1 ZINC000140297226 495493046 /nfs/dbraw/zinc/49/30/46/495493046.db2.gz IBZKIAGYSNNXBL-IERDGZPVSA-N -1 3 362.429 3.426 20 0 FGADHM O=C(c1c([O-])cccc1F)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000131113331 495493860 /nfs/dbraw/zinc/49/38/60/495493860.db2.gz JHKRTUVPUPFQIQ-CQSZACIVSA-N -1 3 352.369 3.294 20 0 FGADHM CN(CCc1ccc(Br)cc1)C(=O)c1ccc2n[n-]nc2c1 ZINC000106784447 495496693 /nfs/dbraw/zinc/49/66/93/495496693.db2.gz XLWQKFSKBRWVSN-UHFFFAOYSA-N -1 3 359.227 3.035 20 0 FGADHM O=C(Nc1nnc(-c2ccccn2)[n-]1)c1c[nH]nc1-c1ccccc1Cl ZINC000125808823 495502383 /nfs/dbraw/zinc/50/23/83/495502383.db2.gz QHZVOMICELMUQF-UHFFFAOYSA-N -1 3 365.784 3.163 20 0 FGADHM Cc1ccc(NC(=O)[C@H](C)[N-]S(=O)(=O)c2cccs2)c(Cl)c1 ZINC000141596768 495508109 /nfs/dbraw/zinc/50/81/09/495508109.db2.gz GBQWZYYPRDBZRV-JTQLQIEISA-N -1 3 358.872 3.015 20 0 FGADHM COc1cc(C)cc(C(=O)Nc2ccc(CC(=O)NC(C)C)cc2)c1[O-] ZINC000106905440 495508975 /nfs/dbraw/zinc/50/89/75/495508975.db2.gz QYBCGSVIXSMUML-UHFFFAOYSA-N -1 3 356.422 3.029 20 0 FGADHM CCC[C@H](NC(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1)c1ccccc1 ZINC000141695478 495508966 /nfs/dbraw/zinc/50/89/66/495508966.db2.gz DLMBEQQPNRAEFN-ZFWWWQNUSA-N -1 3 366.508 3.073 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N(C)Cc2ccc(F)cc2Cl)c1 ZINC000107353861 495525740 /nfs/dbraw/zinc/52/57/40/495525740.db2.gz BLPZFLSFZJCUIE-UHFFFAOYSA-N -1 3 350.777 3.415 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-]CCSc1ccc(Cl)cc1 ZINC000154157936 495530867 /nfs/dbraw/zinc/53/08/67/495530867.db2.gz ZWMWWVJWCRPDCR-UHFFFAOYSA-N -1 3 363.913 3.481 20 0 FGADHM CN(CC1(CC(=O)[O-])CC1)[C@H]1CCOc2ccc(Br)cc21 ZINC000580574624 505789349 /nfs/dbraw/zinc/78/93/49/505789349.db2.gz DSIYJTSFOFDCGC-ZDUSSCGKSA-N -1 3 354.244 3.459 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NC[C@@H]2CCCC[C@H]2C)c1 ZINC000185441585 495578322 /nfs/dbraw/zinc/57/83/22/495578322.db2.gz YPZDIQVBKZBRLL-OCCSQVGLSA-N -1 3 371.437 3.497 20 0 FGADHM O=C(NCCCc1nc2c(s1)CCCC2)NCc1ccc([O-])c(F)c1 ZINC000158742855 495580680 /nfs/dbraw/zinc/58/06/80/495580680.db2.gz KTLKXAWZGNSNRU-UHFFFAOYSA-N -1 3 363.458 3.299 20 0 FGADHM O=S(=O)([N-][C@H]1CCCC[C@H]1n1cccn1)c1ccccc1C(F)(F)F ZINC000173542159 495580727 /nfs/dbraw/zinc/58/07/27/495580727.db2.gz TUNBYEAVRMGNQI-UONOGXRCSA-N -1 3 373.400 3.364 20 0 FGADHM COc1cc(OC)cc([C@@H](NCc2cc([O-])cc(F)c2)c2nccn2C)c1 ZINC000185460732 495585346 /nfs/dbraw/zinc/58/53/46/495585346.db2.gz LLIIKOSMLUTAOU-LJQANCHMSA-N -1 3 371.412 3.161 20 0 FGADHM CC[C@H](NCc1cc([O-])cc(F)c1)c1ccccc1OCC(=O)N(C)C ZINC000185473502 495590805 /nfs/dbraw/zinc/59/08/05/495590805.db2.gz JPOVUQYYXLWWFO-SFHVURJKSA-N -1 3 360.429 3.239 20 0 FGADHM Cc1noc(C)c1[C@@H](C)C[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000158819473 495595234 /nfs/dbraw/zinc/59/52/34/495595234.db2.gz YPXWBQXYVYEISY-VIFPVBQESA-N -1 3 362.373 3.392 20 0 FGADHM COc1ccc(-c2nnc([N-]C(=O)c3cnc4n[nH]c(C)c4c3)s2)cc1 ZINC000154376294 495597958 /nfs/dbraw/zinc/59/79/58/495597958.db2.gz TZRSWEKDJCNHSO-UHFFFAOYSA-N -1 3 366.406 3.046 20 0 FGADHM O=c1[n-]c(=O)n(CCCCOc2cccc(C(F)(F)F)c2)cc1Cl ZINC000154391929 495602053 /nfs/dbraw/zinc/60/20/53/495602053.db2.gz ASVYNKYAHOVMNX-UHFFFAOYSA-N -1 3 362.735 3.068 20 0 FGADHM CNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2Cl)c(Cl)c1 ZINC000158880035 495607340 /nfs/dbraw/zinc/60/73/40/495607340.db2.gz ADKVMJRSKZTVLO-UHFFFAOYSA-N -1 3 359.234 3.154 20 0 FGADHM O=C(c1ccc(O)cc1[O-])N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000179508142 495621435 /nfs/dbraw/zinc/62/14/35/495621435.db2.gz GLQUFWGHARJUJO-GOSISDBHSA-N -1 3 361.825 3.337 20 0 FGADHM Cc1cnc(C[N-]S(=O)(=O)Cc2c(Cl)cccc2Cl)s1 ZINC000173635835 495625572 /nfs/dbraw/zinc/62/55/72/495625572.db2.gz ADRFPQDDENHCLX-UHFFFAOYSA-N -1 3 351.280 3.378 20 0 FGADHM Cn1cc(C(=O)[N-]c2nnc(-c3ccccn3)s2)c(-c2cccs2)n1 ZINC000154478013 495628746 /nfs/dbraw/zinc/62/87/46/495628746.db2.gz VMDZCYAFNAZTKE-UHFFFAOYSA-N -1 3 368.447 3.314 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2C[C@@H]3CCCC[C@@H]3C2)c1 ZINC000179538221 495633056 /nfs/dbraw/zinc/63/30/56/495633056.db2.gz QVCNYKHEJRYSGH-OKILXGFUSA-N -1 3 369.421 3.203 20 0 FGADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)C1(c2c(F)cccc2F)CCC1 ZINC000568855054 505794009 /nfs/dbraw/zinc/79/40/09/505794009.db2.gz VKVZIAZMQJJANT-UHFFFAOYSA-N -1 3 369.375 3.129 20 0 FGADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)C1(c2c(F)cccc2F)CCC1 ZINC000568855054 505794012 /nfs/dbraw/zinc/79/40/12/505794012.db2.gz VKVZIAZMQJJANT-UHFFFAOYSA-N -1 3 369.375 3.129 20 0 FGADHM CCOc1ccccc1N1C[C@H](C(=O)Nc2c(C)cccc2[O-])CC1=O ZINC000179561101 495641553 /nfs/dbraw/zinc/64/15/53/495641553.db2.gz RGVDFAHWNYWKMI-CQSZACIVSA-N -1 3 354.406 3.091 20 0 FGADHM Cc1nc(-c2cccc([N-]S(=O)(=O)C[C@@H]3CCCCO3)c2)cs1 ZINC000150839155 495652126 /nfs/dbraw/zinc/65/21/26/495652126.db2.gz TZKUNMWOHWXECX-HNNXBMFYSA-N -1 3 352.481 3.429 20 0 FGADHM Cc1ccc(Oc2ccc([N-]S(=O)(=O)C[C@H]3CCCCO3)cn2)cc1 ZINC000150845463 495654052 /nfs/dbraw/zinc/65/40/52/495654052.db2.gz OKSAYNIJRBEQFT-QGZVFWFLSA-N -1 3 362.451 3.493 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1ccc(Br)o1)c1cccc(F)c1F ZINC000580604002 505795350 /nfs/dbraw/zinc/79/53/50/505795350.db2.gz FCQQICALKYVBMP-ZETCQYMHSA-N -1 3 366.183 3.360 20 0 FGADHM CC(C)[C@@H](C(=O)Nc1cc(F)ccc1[O-])n1nnc(-c2ccccc2)n1 ZINC000179650364 495675983 /nfs/dbraw/zinc/67/59/83/495675983.db2.gz ZRNDCLLQIDLLKJ-INIZCTEOSA-N -1 3 355.373 3.021 20 0 FGADHM COC(=O)c1ccnc([N-]C(=O)c2ncoc2-c2ccccc2Cl)c1 ZINC000173761306 495680469 /nfs/dbraw/zinc/68/04/69/495680469.db2.gz UDGYVHNTAPDLOG-UHFFFAOYSA-N -1 3 357.753 3.429 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)Nc2cc(C)c(O)c(C)c2C)c([O-])c1 ZINC000185693698 495681708 /nfs/dbraw/zinc/68/17/08/495681708.db2.gz WNQPDPQDOGKAEQ-UHFFFAOYSA-N -1 3 356.422 3.090 20 0 FGADHM Cc1cc(C)c2[n-]cc(C(=O)N3CC[C@H](C(=O)OC(C)(C)C)C3)c(=O)c2c1 ZINC000185697405 495684904 /nfs/dbraw/zinc/68/49/04/495684904.db2.gz IQHGGBYDPMAELR-AWEZNQCLSA-N -1 3 370.449 3.361 20 0 FGADHM CCCCNC(=O)[C@@H]1CCCN(C(=O)c2ccc3c(c2[O-])CCCC3)C1 ZINC000185697196 495685484 /nfs/dbraw/zinc/68/54/84/495685484.db2.gz LXCBYWQJAKBJRA-MRXNPFEDSA-N -1 3 358.482 3.040 20 0 FGADHM O=C(NCc1ccccc1)c1cccc(NC(=O)c2ccc3n[n-]nc3c2)c1 ZINC000154692887 495697164 /nfs/dbraw/zinc/69/71/64/495697164.db2.gz RWPWGOBZXLFHKJ-UHFFFAOYSA-N -1 3 371.400 3.140 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)C[C@@H]1CCCCO1)c1nc(C(F)(F)F)cs1 ZINC000173838001 495713545 /nfs/dbraw/zinc/71/35/45/495713545.db2.gz SPODCPBKDIUOPB-UWVGGRQHSA-N -1 3 372.434 3.102 20 0 FGADHM C[C@H](NC(=O)c1cccc([O-])c1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000182857683 495730116 /nfs/dbraw/zinc/73/01/16/495730116.db2.gz DNWPUYNZBHYMCQ-YWZLYKJASA-N -1 3 355.434 3.447 20 0 FGADHM CC(C)(CNC(=O)Cc1cncc([O-])c1)c1cccc(Br)c1 ZINC000568882598 505800063 /nfs/dbraw/zinc/80/00/63/505800063.db2.gz WTYPNYRTNJFTKP-UHFFFAOYSA-N -1 3 363.255 3.186 20 0 FGADHM Cc1ccc(SC2CCCC2)c(C(=O)N2CCc3nc[n-]c(=O)c3C2)c1 ZINC000179782940 495732627 /nfs/dbraw/zinc/73/26/27/495732627.db2.gz ULLHWPNSYBRFSX-UHFFFAOYSA-N -1 3 369.490 3.312 20 0 FGADHM Cc1nnc(CSCc2nc(=O)c3c(-c4ccco4)csc3[n-]2)n1C ZINC000179806766 495741068 /nfs/dbraw/zinc/74/10/68/495741068.db2.gz HEKIATIGYMJWAM-UHFFFAOYSA-N -1 3 373.463 3.115 20 0 FGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)CCC(=O)c2cccs2)c1 ZINC000173971467 495769204 /nfs/dbraw/zinc/76/92/04/495769204.db2.gz PHGUVXKSQLDNOI-UHFFFAOYSA-N -1 3 366.464 3.030 20 0 FGADHM Cc1ccc(OCC(=O)Nc2cc(C)ccc2[N-]S(C)(=O)=O)c(C)c1 ZINC000173981269 495774167 /nfs/dbraw/zinc/77/41/67/495774167.db2.gz JBBGSRPJZDEGOY-UHFFFAOYSA-N -1 3 362.451 3.001 20 0 FGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)c2cc3c(s2)CCC3)c1 ZINC000173981079 495774244 /nfs/dbraw/zinc/77/42/44/495774244.db2.gz UUJYBXXNKZAOHG-UHFFFAOYSA-N -1 3 350.465 3.169 20 0 FGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)c2ccc3ncsc3c2)c1 ZINC000173985043 495776418 /nfs/dbraw/zinc/77/64/18/495776418.db2.gz GBFQMFPBNOHASG-UHFFFAOYSA-N -1 3 361.448 3.229 20 0 FGADHM O=C([N-]c1ncccc1Cl)c1ncoc1-c1ccc2c(c1)OCCO2 ZINC000179920590 495784184 /nfs/dbraw/zinc/78/41/84/495784184.db2.gz AHFPQNXGUFTDLS-UHFFFAOYSA-N -1 3 357.753 3.414 20 0 FGADHM COc1nnc(NC(=O)c2ccc3c(c2)nc(C(F)(F)F)n3C(C)C)[n-]1 ZINC000182984188 495784612 /nfs/dbraw/zinc/78/46/12/495784612.db2.gz DTIMVGCXURXGJP-UHFFFAOYSA-N -1 3 368.319 3.015 20 0 FGADHM COc1nc(NC(=O)c2ccc3c(c2)nc(C(F)(F)F)n3C(C)C)n[n-]1 ZINC000182984188 495784619 /nfs/dbraw/zinc/78/46/19/495784619.db2.gz DTIMVGCXURXGJP-UHFFFAOYSA-N -1 3 368.319 3.015 20 0 FGADHM COc1n[n-]c(NC(=O)c2ccc3c(c2)nc(C(F)(F)F)n3C(C)C)n1 ZINC000182984188 495784627 /nfs/dbraw/zinc/78/46/27/495784627.db2.gz DTIMVGCXURXGJP-UHFFFAOYSA-N -1 3 368.319 3.015 20 0 FGADHM Cc1cnc([C@H](C)NC(=O)NCc2ccc([O-])c(Br)c2)s1 ZINC000151304800 495799953 /nfs/dbraw/zinc/79/99/53/495799953.db2.gz NLGGDACBOCVKBW-VIFPVBQESA-N -1 3 370.272 3.480 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-][C@H]1CCCOc2c(F)cccc21 ZINC000179985124 495810614 /nfs/dbraw/zinc/81/06/14/495810614.db2.gz PKWURLFQAHAWCG-LBPRGKRZSA-N -1 3 357.428 3.088 20 0 FGADHM Cc1c(C(=O)Nc2c(C)cccc2[O-])cnn1CCO[C@H]1CCCCO1 ZINC000183077574 495825613 /nfs/dbraw/zinc/82/56/13/495825613.db2.gz MCNPQJWOKDNOHV-KRWDZBQOSA-N -1 3 359.426 3.001 20 0 FGADHM Cc1c([O-])ccc2c(CN[C@@H](C[S@@](C)=O)c3ccccc3)cc(=O)oc12 ZINC000183147390 495854205 /nfs/dbraw/zinc/85/42/05/495854205.db2.gz VKTCQZNYMKTKHF-MRDQGFSESA-N -1 3 371.458 3.016 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)Nc2cccc(OC(F)F)c2)c([O-])c1 ZINC000171399979 495856263 /nfs/dbraw/zinc/85/62/63/495856263.db2.gz PVXSNRHBGGYZRS-UHFFFAOYSA-N -1 3 364.348 3.061 20 0 FGADHM CC[C@H](NC(=O)c1cccc2nn[n-]c21)c1nc(C(F)(F)F)cs1 ZINC000180107580 495861761 /nfs/dbraw/zinc/86/17/61/495861761.db2.gz RQAKNIIVTQVQAN-QMMMGPOBSA-N -1 3 355.345 3.314 20 0 FGADHM CC[C@H](NC(=O)c1cccc2[n-]nnc21)c1nc(C(F)(F)F)cs1 ZINC000180107580 495861768 /nfs/dbraw/zinc/86/17/68/495861768.db2.gz RQAKNIIVTQVQAN-QMMMGPOBSA-N -1 3 355.345 3.314 20 0 FGADHM CC[C@H](NC(=O)c1cccc2n[n-]nc21)c1nc(C(F)(F)F)cs1 ZINC000180107580 495861774 /nfs/dbraw/zinc/86/17/74/495861774.db2.gz RQAKNIIVTQVQAN-QMMMGPOBSA-N -1 3 355.345 3.314 20 0 FGADHM Cc1nc([C@](C)([N-]S(=O)(=O)c2csc3ccccc32)C2CC2)no1 ZINC000574588483 505808420 /nfs/dbraw/zinc/80/84/20/505808420.db2.gz WDYPEAKXSNXTFN-MRXNPFEDSA-N -1 3 363.464 3.196 20 0 FGADHM C[C@@H]1C[C@H](C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)CC(C)(C)C1 ZINC000183208891 495880610 /nfs/dbraw/zinc/88/06/10/495880610.db2.gz ONRACGGGLMMUJG-WBVHZDCISA-N -1 3 358.482 3.139 20 0 FGADHM CCOc1ccc(CC(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000151583569 495885537 /nfs/dbraw/zinc/88/55/37/495885537.db2.gz AELULRZOPDKUIN-UHFFFAOYSA-N -1 3 364.239 3.412 20 0 FGADHM Cc1cccc(C)c1OCC(=O)NCc1ccc([O-])c(Br)c1 ZINC000151604301 495891510 /nfs/dbraw/zinc/89/15/10/495891510.db2.gz BYBVXDUWHDDSAQ-UHFFFAOYSA-N -1 3 364.239 3.467 20 0 FGADHM Cc1ccc(CS(=O)(=O)[N-]Cc2cc(COC(C)(C)C)on2)cc1F ZINC000186224470 495903960 /nfs/dbraw/zinc/90/39/60/495903960.db2.gz YSMKYKFGRGHPTQ-UHFFFAOYSA-N -1 3 370.446 3.057 20 0 FGADHM C[C@H]1CCCC[C@H]1OCC(=O)NCc1ccc([O-])c(Br)c1 ZINC000151647684 495905552 /nfs/dbraw/zinc/90/55/52/495905552.db2.gz FBBWMXWBQOEYGL-XHDPSFHLSA-N -1 3 356.260 3.366 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3ccc(-n4ccnc4)cc3)c[n-]c12 ZINC000155295115 495908932 /nfs/dbraw/zinc/90/89/32/495908932.db2.gz GNWUWOKXZCWIHH-UHFFFAOYSA-N -1 3 362.364 3.414 20 0 FGADHM CCOC(=O)c1cc(NC(=O)c2ccc(Br)c(Cl)c2)n[n-]1 ZINC000183273263 495910572 /nfs/dbraw/zinc/91/05/72/495910572.db2.gz HENTVRLJAUBGSF-UHFFFAOYSA-N -1 3 372.606 3.255 20 0 FGADHM CCOC(=O)c1cc(NC(=O)c2ccc(Br)c(Cl)c2)[n-]n1 ZINC000183273263 495910578 /nfs/dbraw/zinc/91/05/78/495910578.db2.gz HENTVRLJAUBGSF-UHFFFAOYSA-N -1 3 372.606 3.255 20 0 FGADHM COC(=O)[C@@H](c1cc(F)c(F)c(F)c1)N(C)Cc1cc([O-])cc(F)c1 ZINC000186253530 495915339 /nfs/dbraw/zinc/91/53/39/495915339.db2.gz BHYONROBDKLSIS-MRXNPFEDSA-N -1 3 357.303 3.295 20 0 FGADHM Cc1ccc(-c2nnc(NC(=O)Cc3coc(-c4cccs4)n3)[n-]2)o1 ZINC000160248340 495917263 /nfs/dbraw/zinc/91/72/63/495917263.db2.gz WYPBMWOTUSMTFV-UHFFFAOYSA-N -1 3 355.379 3.271 20 0 FGADHM Cc1ccc(-c2n[n-]c(NC(=O)Cc3coc(-c4cccs4)n3)n2)o1 ZINC000160248340 495917266 /nfs/dbraw/zinc/91/72/66/495917266.db2.gz WYPBMWOTUSMTFV-UHFFFAOYSA-N -1 3 355.379 3.271 20 0 FGADHM Cc1ccc(-c2nc(NC(=O)Cc3coc(-c4cccs4)n3)n[n-]2)o1 ZINC000160248340 495917271 /nfs/dbraw/zinc/91/72/71/495917271.db2.gz WYPBMWOTUSMTFV-UHFFFAOYSA-N -1 3 355.379 3.271 20 0 FGADHM CC(C)CNC(=O)N1CCC[C@H](C(=O)N2CC[C@H](C)c3cccc([O-])c32)C1 ZINC000186271487 495923040 /nfs/dbraw/zinc/92/30/40/495923040.db2.gz UQLJJSVOYTZGBG-HOTGVXAUSA-N -1 3 373.497 3.310 20 0 FGADHM O=c1cc(C(F)(F)F)nc(C[S@@](=O)Cc2ccccc2Cl)[n-]1 ZINC000155343125 495926782 /nfs/dbraw/zinc/92/67/82/495926782.db2.gz CZFKLBDGRXIMCE-JOCHJYFZSA-N -1 3 350.749 3.303 20 0 FGADHM O=C(Nc1ccc(Br)cc1[O-])c1cccc(-c2nc[nH]n2)c1 ZINC000160311610 495932896 /nfs/dbraw/zinc/93/28/96/495932896.db2.gz ZHKNXYZWNNNGIO-UHFFFAOYSA-N -1 3 359.183 3.192 20 0 FGADHM Cc1ccc(OCCCC(=O)Nc2cccc(-c3nnn[n-]3)c2)c(C)c1 ZINC000160349964 495942120 /nfs/dbraw/zinc/94/21/20/495942120.db2.gz UPPOOLJUELFEFI-UHFFFAOYSA-N -1 3 351.410 3.281 20 0 FGADHM Cc1ccc(OCCCC(=O)Nc2cccc(-c3nn[n-]n3)c2)c(C)c1 ZINC000160349964 495942122 /nfs/dbraw/zinc/94/21/22/495942122.db2.gz UPPOOLJUELFEFI-UHFFFAOYSA-N -1 3 351.410 3.281 20 0 FGADHM COCc1ccc(CNC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)cc1 ZINC000155445346 495958972 /nfs/dbraw/zinc/95/89/72/495958972.db2.gz QHHXSRKQXLAPMM-UHFFFAOYSA-N -1 3 354.381 3.052 20 0 FGADHM O=S(=O)([N-]CC1CCC1)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000186354024 495962179 /nfs/dbraw/zinc/96/21/79/495962179.db2.gz RIQLSSFTGLKGCO-HNNXBMFYSA-N -1 3 373.902 3.366 20 0 FGADHM Cc1nc(C)c(CCC(=O)N2CC[C@@H](C)[C@H]2c2cccc(F)c2)c(=O)[n-]1 ZINC000174447783 495963317 /nfs/dbraw/zinc/96/33/17/495963317.db2.gz OVTVOXKMLAALDA-BLVKFPJESA-N -1 3 357.429 3.068 20 0 FGADHM Cc1cc(C(=O)Nc2nnc(-c3ccco3)[n-]2)nn1-c1ccccc1Cl ZINC000180363362 495966509 /nfs/dbraw/zinc/96/65/09/495966509.db2.gz IWXULVMTCVDBNC-UHFFFAOYSA-N -1 3 368.784 3.465 20 0 FGADHM Cc1cc(C(=O)Nc2nc(-c3ccco3)n[n-]2)nn1-c1ccccc1Cl ZINC000180363362 495966513 /nfs/dbraw/zinc/96/65/13/495966513.db2.gz IWXULVMTCVDBNC-UHFFFAOYSA-N -1 3 368.784 3.465 20 0 FGADHM Cc1cc(C(=O)Nc2n[n-]c(-c3ccco3)n2)nn1-c1ccccc1Cl ZINC000180363362 495966520 /nfs/dbraw/zinc/96/65/20/495966520.db2.gz IWXULVMTCVDBNC-UHFFFAOYSA-N -1 3 368.784 3.465 20 0 FGADHM CCOc1ccccc1C(=O)NCC(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000186392518 495980031 /nfs/dbraw/zinc/98/00/31/495980031.db2.gz NGNGDQJWQBDILW-CQSZACIVSA-N -1 3 368.433 3.061 20 0 FGADHM C[C@@H]1C[C@H]1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2F)cc1 ZINC000155531169 495985857 /nfs/dbraw/zinc/98/58/57/495985857.db2.gz BBJSVYSOMXUCBK-QMTHXVAHSA-N -1 3 366.389 3.360 20 0 FGADHM Cc1cc2c([n-]c(CC(=O)c3ccccc3OC(F)F)nc2=O)s1 ZINC000183447169 495987862 /nfs/dbraw/zinc/98/78/62/495987862.db2.gz OQRTUUGIQPOAQP-UHFFFAOYSA-N -1 3 350.346 3.320 20 0 FGADHM Cc1nc(-c2ccccc2)oc1C(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000174528828 495996212 /nfs/dbraw/zinc/99/62/12/495996212.db2.gz OZBADFXSNPBRRN-UHFFFAOYSA-N -1 3 371.418 3.274 20 0 FGADHM CN(C)CCN(Cc1ccccc1F)C(=O)c1cc(F)c(F)c([O-])c1F ZINC000183478675 496002514 /nfs/dbraw/zinc/00/25/14/496002514.db2.gz UIUHGERHLKRNHO-UHFFFAOYSA-N -1 3 370.346 3.153 20 0 FGADHM C[C@@]1(C(=O)Nc2ccc([O-])cc2F)CCCN(C(=O)c2ccccc2)C1 ZINC000180465071 496006472 /nfs/dbraw/zinc/00/64/72/496006472.db2.gz BXRWEACWCHJCSB-HXUWFJFHSA-N -1 3 356.397 3.412 20 0 FGADHM O=C(N[C@@H]1CCCc2cc(OC(F)F)ccc21)c1cccc2nn[n-]c21 ZINC000183511836 496015389 /nfs/dbraw/zinc/01/53/89/496015389.db2.gz WRJNAQCYBLSOQA-CQSZACIVSA-N -1 3 358.348 3.367 20 0 FGADHM O=C(N[C@@H]1CCCc2cc(OC(F)F)ccc21)c1cccc2[n-]nnc21 ZINC000183511836 496015391 /nfs/dbraw/zinc/01/53/91/496015391.db2.gz WRJNAQCYBLSOQA-CQSZACIVSA-N -1 3 358.348 3.367 20 0 FGADHM O=C(N[C@@H]1CCCc2cc(OC(F)F)ccc21)c1cccc2n[n-]nc21 ZINC000183511836 496015393 /nfs/dbraw/zinc/01/53/93/496015393.db2.gz WRJNAQCYBLSOQA-CQSZACIVSA-N -1 3 358.348 3.367 20 0 FGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H](C)c2nc(C)cs2)c1 ZINC000186483239 496015626 /nfs/dbraw/zinc/01/56/26/496015626.db2.gz MFPYNBKHSPNSDF-VIFPVBQESA-N -1 3 360.888 3.196 20 0 FGADHM C[C@@H]1C[C@H]1CC(=O)Nc1n[n-]c(-c2ccc(Br)cc2F)n1 ZINC000577923054 505818335 /nfs/dbraw/zinc/81/83/35/505818335.db2.gz SIUQQMXYINVLNK-SFYZADRCSA-N -1 3 353.195 3.358 20 0 FGADHM O=C(NC[C@H](O)C1CCCCC1)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000186509450 496025246 /nfs/dbraw/zinc/02/52/46/496025246.db2.gz QZBFJODBHCPQIE-LBPRGKRZSA-N -1 3 353.875 3.463 20 0 FGADHM C[C@H]1CCC[C@@H](NC(=O)Cc2csc(NC(=O)c3cccc([O-])c3)n2)C1 ZINC000177395917 496044992 /nfs/dbraw/zinc/04/49/92/496044992.db2.gz FQAQNNRRNUSBFQ-GXTWGEPZSA-N -1 3 373.478 3.338 20 0 FGADHM CC[C@H]1CCCN(C(=O)Cc2csc(NC(=O)c3cccc([O-])c3)n2)C1 ZINC000177396785 496046274 /nfs/dbraw/zinc/04/62/74/496046274.db2.gz HLGSWEWMIWTGCB-ZDUSSCGKSA-N -1 3 373.478 3.292 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CC[C@@H]3CC[C@@H](C)O3)c2)n1 ZINC000174650871 496047269 /nfs/dbraw/zinc/04/72/69/496047269.db2.gz AVMJSTUAAXGQIU-DYVFJYSZSA-N -1 3 355.438 3.286 20 0 FGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]CCc2ccc(OC)c(F)c2)c1 ZINC000171835421 496056471 /nfs/dbraw/zinc/05/64/71/496056471.db2.gz RKFJQOBXRLSUAU-UHFFFAOYSA-N -1 3 373.833 3.017 20 0 FGADHM O=C(CCc1ccc2ccccc2c1[O-])NCCc1cn2c(n1)CCCC2 ZINC000574636563 505821022 /nfs/dbraw/zinc/82/10/22/505821022.db2.gz IVBKJIUJRXFBAV-UHFFFAOYSA-N -1 3 363.461 3.370 20 0 FGADHM CCN(C(=O)c1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1)c1cc(C)cc(C)c1 ZINC000177524823 496097251 /nfs/dbraw/zinc/09/72/51/496097251.db2.gz WITXJZCDYWMMRU-NRFANRHFSA-N -1 3 365.433 3.025 20 0 FGADHM CC(C)OCCS(=O)(=O)[N-]c1ccc2nc(N3CCCC3)sc2c1 ZINC000177540045 496103519 /nfs/dbraw/zinc/10/35/19/496103519.db2.gz AWBTZAJYNAOTHP-UHFFFAOYSA-N -1 3 369.512 3.063 20 0 FGADHM CCNc1nc(SCC(=O)Nc2ccccc2[O-])nc2ccccc21 ZINC000180686330 496103932 /nfs/dbraw/zinc/10/39/32/496103932.db2.gz HCAWLLNBZQGBHB-UHFFFAOYSA-N -1 3 354.435 3.498 20 0 FGADHM CC(C)(C)[S@@](=O)Cc1cccc(NC([O-])=NO[C@@H]2CCCCO2)c1 ZINC000156049397 496142643 /nfs/dbraw/zinc/14/26/43/496142643.db2.gz PNXNCHPVQDGJGT-OYLFLEFRSA-N -1 3 354.472 3.314 20 0 FGADHM CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)[N-]O[C@@H]2CCCCO2)c1 ZINC000156049397 496142646 /nfs/dbraw/zinc/14/26/46/496142646.db2.gz PNXNCHPVQDGJGT-OYLFLEFRSA-N -1 3 354.472 3.314 20 0 FGADHM Cc1c(C(=O)Nc2cc(F)ccc2[O-])nnn1-c1cccc2cnccc21 ZINC000174877054 496144870 /nfs/dbraw/zinc/14/48/70/496144870.db2.gz XLAYZMYUBYQOFR-UHFFFAOYSA-N -1 3 363.352 3.221 20 0 FGADHM CC(=O)NCc1ccc(C(=O)[N-]c2nnc(/C=C/c3ccco3)s2)s1 ZINC000152419936 496145837 /nfs/dbraw/zinc/14/58/37/496145837.db2.gz KEFVMRMKDNLJLO-QPJJXVBHSA-N -1 3 374.447 3.251 20 0 FGADHM Cc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3cc(F)ccc3[O-])C2)cc1 ZINC000174878744 496146445 /nfs/dbraw/zinc/14/64/45/496146445.db2.gz GKRYZVWPHCTENT-OAHLLOKOSA-N -1 3 356.397 3.331 20 0 FGADHM CC(C)c1cccc(N(C)C(=O)c2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)c1 ZINC000177653001 496147342 /nfs/dbraw/zinc/14/73/42/496147342.db2.gz GFNIWCBPFUODLM-OAQYLSRUSA-N -1 3 365.433 3.141 20 0 FGADHM O=C(Nc1cc(F)ccc1[O-])c1cn(-c2cccc(C(F)(F)F)c2)nn1 ZINC000174899132 496154516 /nfs/dbraw/zinc/15/45/16/496154516.db2.gz FOCCMCATEJCXGL-UHFFFAOYSA-N -1 3 366.274 3.383 20 0 FGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(C)c(C(F)(F)F)c1 ZINC000174926922 496168395 /nfs/dbraw/zinc/16/83/95/496168395.db2.gz ZXGMKWDMMFXJIV-UHFFFAOYSA-N -1 3 357.357 3.380 20 0 FGADHM O=C(CS(=O)(=O)c1cccc([O-])c1)Nc1cccc(Cl)c1Cl ZINC000184000015 496194931 /nfs/dbraw/zinc/19/49/31/496194931.db2.gz CLPPBAQNUFXZAU-UHFFFAOYSA-N -1 3 360.218 3.111 20 0 FGADHM COc1ccc(N[C@@H]2CCc3ccc(F)cc32)cc1[N-]S(C)(=O)=O ZINC000174987950 496195567 /nfs/dbraw/zinc/19/55/67/496195567.db2.gz VZROMUOIHPYZGN-OAHLLOKOSA-N -1 3 350.415 3.305 20 0 FGADHM Cc1cccc(NC(=O)NCCCNC(=O)c2cccc([O-])c2)c1Cl ZINC000161561237 496198051 /nfs/dbraw/zinc/19/80/51/496198051.db2.gz OUIRNLVXAWXVRB-UHFFFAOYSA-N -1 3 361.829 3.296 20 0 FGADHM CCOC(=O)c1cc(NC(=O)[C@@H]2C[C@H]2c2ccc(C(F)(F)F)cc2)n[n-]1 ZINC000180935200 496205410 /nfs/dbraw/zinc/20/54/10/496205410.db2.gz DCTIKFLGWJIVDS-NWDGAFQWSA-N -1 3 367.327 3.347 20 0 FGADHM CCOC(=O)c1cc(NC(=O)[C@@H]2C[C@H]2c2ccc(C(F)(F)F)cc2)[n-]n1 ZINC000180935200 496205416 /nfs/dbraw/zinc/20/54/16/496205416.db2.gz DCTIKFLGWJIVDS-NWDGAFQWSA-N -1 3 367.327 3.347 20 0 FGADHM O=[S@](Cc1nc(-c2cc(F)c(F)c(F)c2)no1)c1cccc([O-])c1 ZINC000184049715 496219239 /nfs/dbraw/zinc/21/92/39/496219239.db2.gz DSYBUYYIFGLBMN-XMMPIXPASA-N -1 3 354.309 3.167 20 0 FGADHM O=[S@](Cc1cc2c(cc1Br)OCCO2)c1cccc([O-])c1 ZINC000184056563 496220945 /nfs/dbraw/zinc/22/09/45/496220945.db2.gz DOFBFBFGIGUFCE-OAQYLSRUSA-N -1 3 369.236 3.234 20 0 FGADHM C[C@H](C(=O)Nc1ccccc1[N-]S(C)(=O)=O)c1c(F)cccc1F ZINC000156377694 496228752 /nfs/dbraw/zinc/22/87/52/496228752.db2.gz OXQQTSVFYHYSEZ-JTQLQIEISA-N -1 3 354.378 3.079 20 0 FGADHM C[C@H](NC(=O)c1ccc2n[n-]nc2c1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000175101431 496247111 /nfs/dbraw/zinc/24/71/11/496247111.db2.gz AICKWOUBKSUYET-VIFPVBQESA-N -1 3 368.784 3.152 20 0 FGADHM COc1ccc(CN(C)[C@H](C)c2nc(C)cc(=O)[n-]2)cc1OC(F)F ZINC000177917306 496250681 /nfs/dbraw/zinc/25/06/81/496250681.db2.gz WXJIDSJPJUGINS-LLVKDONJSA-N -1 3 353.369 3.294 20 0 FGADHM Cc1ccc(-c2cc(C(=O)Nc3cccc(C[S@](C)=O)c3C)n[n-]2)o1 ZINC000172320048 496252600 /nfs/dbraw/zinc/25/26/00/496252600.db2.gz XBTGBCGHTJTJJU-VWLOTQADSA-N -1 3 357.435 3.417 20 0 FGADHM Cc1ccc(-c2cc(C(=O)Nc3cccc(C[S@](C)=O)c3C)[n-]n2)o1 ZINC000172320048 496252605 /nfs/dbraw/zinc/25/26/05/496252605.db2.gz XBTGBCGHTJTJJU-VWLOTQADSA-N -1 3 357.435 3.417 20 0 FGADHM COc1cccc2c1nc(NC(=O)c1c[n-]nc1-c1ccc(F)cc1)n2C ZINC000184144657 496256560 /nfs/dbraw/zinc/25/65/60/496256560.db2.gz ZATSLCMNALHERY-UHFFFAOYSA-N -1 3 365.368 3.363 20 0 FGADHM Cc1cccc(C(C)C)c1NC(=O)C[N-]S(=O)(=O)c1cccs1 ZINC000177940768 496259556 /nfs/dbraw/zinc/25/95/56/496259556.db2.gz KMMKMZVICYYQCK-UHFFFAOYSA-N -1 3 352.481 3.097 20 0 FGADHM C[C@@H]1CN(Cc2ccc(CNC(=O)c3ccc([O-])cc3F)cc2)C[C@H](C)O1 ZINC000181123346 496279393 /nfs/dbraw/zinc/27/93/93/496279393.db2.gz KHPSIUVYAOUYGW-GASCZTMLSA-N -1 3 372.440 3.071 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@H]2CCCC[C@H]2C)c1-c1ccc2c(c1)OCCO2 ZINC000580770011 505834658 /nfs/dbraw/zinc/83/46/58/505834658.db2.gz LBRBHJHMWJKPNG-DOMZBBRYSA-N -1 3 355.438 3.343 20 0 FGADHM CC[C@@H](Cc1ccccc1)N(CC)C(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000162145654 496302370 /nfs/dbraw/zinc/30/23/70/496302370.db2.gz ZBKHVLWTIDSMEV-INIZCTEOSA-N -1 3 350.418 3.054 20 0 FGADHM O=C(Cc1cc(F)ccc1Br)NCc1ccc([O-])c(F)c1 ZINC000156667992 496306544 /nfs/dbraw/zinc/30/65/44/496306544.db2.gz NIUYGBQZTFWQRD-UHFFFAOYSA-N -1 3 356.166 3.292 20 0 FGADHM O=S(=O)(Cc1ccc(Cl)cc1Cl)[N-][C@@H](CCO)c1ccco1 ZINC000184265657 496310354 /nfs/dbraw/zinc/31/03/54/496310354.db2.gz VHFWWMXNDAYBAP-ZDUSSCGKSA-N -1 3 364.250 3.130 20 0 FGADHM COc1cccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3CC2CC2)c1[O-] ZINC000187144437 496311338 /nfs/dbraw/zinc/31/13/38/496311338.db2.gz LGKJYBJVSXJJFF-UHFFFAOYSA-N -1 3 366.417 3.342 20 0 FGADHM CC[C@H]1CN(c2ccccc2)CCN1C(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000184273913 496314183 /nfs/dbraw/zinc/31/41/83/496314183.db2.gz VUMZPSUJHZHDLP-INIZCTEOSA-N -1 3 370.449 3.150 20 0 FGADHM C[C@H](O)C[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1F)c1ccccc1 ZINC000156716684 496318501 /nfs/dbraw/zinc/31/85/01/496318501.db2.gz FEAOAVGHTMKTTP-JSGCOSHPSA-N -1 3 371.861 3.312 20 0 FGADHM CS[C@@H](C(=O)Nc1ccc(F)c([N-]S(C)(=O)=O)c1)c1ccccc1 ZINC000172503109 496318929 /nfs/dbraw/zinc/31/89/29/496318929.db2.gz FYYXFGBUCNSUNQ-OAHLLOKOSA-N -1 3 368.455 3.240 20 0 FGADHM C[C@H](SCc1ncnn1C)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000175277619 496319610 /nfs/dbraw/zinc/31/96/10/496319610.db2.gz MLZHBGAPUJSGRB-VIFPVBQESA-N -1 3 373.463 3.368 20 0 FGADHM O=C(NCCSCc1ccccc1F)NCc1ccc([O-])c(F)c1 ZINC000172522614 496325776 /nfs/dbraw/zinc/32/57/76/496325776.db2.gz QFHYSLYNPMSSPK-UHFFFAOYSA-N -1 3 352.406 3.403 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N3CCC(OCC(C)C)CC3)c[n-]c12 ZINC000178108253 496332816 /nfs/dbraw/zinc/33/28/16/496332816.db2.gz MCUJEUGJPMWYBH-UHFFFAOYSA-N -1 3 360.429 3.253 20 0 FGADHM Cc1cccc(S(=O)(=O)[N-][C@@H](c2nc(C3CC3)no2)C(C)C)c1F ZINC000181268973 496334011 /nfs/dbraw/zinc/33/40/11/496334011.db2.gz VDNPAXWHHCRXMC-CQSZACIVSA-N -1 3 353.419 3.070 20 0 FGADHM C[C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O)C1CC1 ZINC000175313532 496335215 /nfs/dbraw/zinc/33/52/15/496335215.db2.gz FVIVDGSTYRVFJG-MRVPVSSYSA-N -1 3 350.362 3.062 20 0 FGADHM O=C(NCc1cccc(Br)c1)NCc1ccc([O-])c(F)c1 ZINC000172570812 496345479 /nfs/dbraw/zinc/34/54/79/496345479.db2.gz BKEXUJJDPCGDHK-UHFFFAOYSA-N -1 3 353.191 3.293 20 0 FGADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CC[C@@](O)(C(F)(F)F)C1 ZINC000156832170 496342780 /nfs/dbraw/zinc/34/27/80/496342780.db2.gz VMFGRZCGYCZSMQ-SFHVURJKSA-N -1 3 365.351 3.122 20 0 FGADHM CC[C@H]1CCCCCN1C(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000172577495 496347895 /nfs/dbraw/zinc/34/78/95/496347895.db2.gz KFLMCDGTQMIVLV-KRWDZBQOSA-N -1 3 368.481 3.254 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)[C@H](C)Sc3ccccc3)[n-]c21 ZINC000162441861 496353181 /nfs/dbraw/zinc/35/31/81/496353181.db2.gz RPIOKYWDJBBVCA-NSHDSACASA-N -1 3 355.419 3.469 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@H](C)Sc3ccccc3)nc21 ZINC000162441861 496353188 /nfs/dbraw/zinc/35/31/88/496353188.db2.gz RPIOKYWDJBBVCA-NSHDSACASA-N -1 3 355.419 3.469 20 0 FGADHM O=S(=O)([N-]c1cn[nH]c1-c1ccccc1)c1ccc(C(F)(F)F)nc1 ZINC000181325451 496354699 /nfs/dbraw/zinc/35/46/99/496354699.db2.gz WWRYDGUDSJAMAG-UHFFFAOYSA-N -1 3 368.340 3.291 20 0 FGADHM COC[C@H]([N-]S(=O)(=O)c1ccc(Br)c(C)c1)c1ccco1 ZINC000175357008 496354913 /nfs/dbraw/zinc/35/49/13/496354913.db2.gz RBGIOUNWWRHBRU-ZDUSSCGKSA-N -1 3 374.256 3.017 20 0 FGADHM O=C(Nc1ccc2c(c1)NC(=O)CS2)c1cn[n-]c1-c1ccsc1 ZINC000187286217 496377434 /nfs/dbraw/zinc/37/74/34/496377434.db2.gz OFVANINATFLCCE-UHFFFAOYSA-N -1 3 356.432 3.435 20 0 FGADHM O=C(Nc1ccc2c(c1)NC(=O)CS2)c1c[n-]nc1-c1ccsc1 ZINC000187286217 496377439 /nfs/dbraw/zinc/37/74/39/496377439.db2.gz OFVANINATFLCCE-UHFFFAOYSA-N -1 3 356.432 3.435 20 0 FGADHM CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)c1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000178278260 496396400 /nfs/dbraw/zinc/39/64/00/496396400.db2.gz QFHZXYLBTYPWAW-XXHMAFKTSA-N -1 3 371.481 3.076 20 0 FGADHM CC(C)CC[C@@H]1CCC[C@H]1NC(=O)c1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000178278289 496396756 /nfs/dbraw/zinc/39/67/56/496396756.db2.gz QFHZXYLBTYPWAW-AVBTWRTFSA-N -1 3 371.481 3.076 20 0 FGADHM Cc1cc(C)c(NC(=O)C[N-]S(=O)(=O)C[C@@H](C)c2ccccc2)c(C)c1 ZINC000157061634 496397657 /nfs/dbraw/zinc/39/76/57/496397657.db2.gz FZLOFCQEDDHRSE-QGZVFWFLSA-N -1 3 374.506 3.273 20 0 FGADHM COc1cc(CN2Cc3ccccc3C[C@H]2C(=O)[O-])ccc1OC(F)F ZINC000569061257 505841996 /nfs/dbraw/zinc/84/19/96/505841996.db2.gz POWVFZRINXNKOC-HNNXBMFYSA-N -1 3 363.360 3.308 20 0 FGADHM COc1ccc(Br)cc1CC(=O)[N-]OCCC(F)(F)F ZINC000162947784 496438835 /nfs/dbraw/zinc/43/88/35/496438835.db2.gz YAFMPGWENJUCLB-UHFFFAOYSA-N -1 3 356.138 3.000 20 0 FGADHM CCc1noc(C)c1C[S@@](=O)Cc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000574741327 505844968 /nfs/dbraw/zinc/84/49/68/505844968.db2.gz VEKPGMKNFLLFSJ-VWLOTQADSA-N -1 3 357.435 3.157 20 0 FGADHM CC[C@H]1[C@H](C)CCN1C(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000187469129 496454614 /nfs/dbraw/zinc/45/46/14/496454614.db2.gz GTXZOBLOTRZVPJ-BZNIZROVSA-N -1 3 357.410 3.202 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N3CCC[C@H](C(F)(F)F)C3)c[n-]c12 ZINC000178451931 496462295 /nfs/dbraw/zinc/46/22/95/496462295.db2.gz SMWMFOJEOMTZHL-JTQLQIEISA-N -1 3 356.319 3.390 20 0 FGADHM C[C@H]1CCC[C@@H](C(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)C1 ZINC000157422974 496474810 /nfs/dbraw/zinc/47/48/10/496474810.db2.gz HPVLNFIHQJOQMO-NWDGAFQWSA-N -1 3 354.447 3.031 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3C)cc(C)c1F ZINC000172893168 496479784 /nfs/dbraw/zinc/47/97/84/496479784.db2.gz SMXXHPLIMYAVIB-UHFFFAOYSA-N -1 3 362.426 3.152 20 0 FGADHM O=C(Cc1ccc([O-])cc1Cl)N1CCCN2c3ccccc3C[C@@H]2C1 ZINC000580826264 505846896 /nfs/dbraw/zinc/84/68/96/505846896.db2.gz WXJPMHJGORVMOP-MRXNPFEDSA-N -1 3 356.853 3.252 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N3CCO[C@@H](c4cccs4)C3)c[n-]c12 ZINC000163243638 496486644 /nfs/dbraw/zinc/48/66/44/496486644.db2.gz ZKHFPQXENJCXEF-OAHLLOKOSA-N -1 3 372.421 3.251 20 0 FGADHM CCc1cc(=O)[n-]c(CNC(C)(C)COc2ccc(C(F)(F)F)cn2)n1 ZINC000181666265 496494984 /nfs/dbraw/zinc/49/49/84/496494984.db2.gz KTCIFEPGLRFAJF-UHFFFAOYSA-N -1 3 370.375 3.106 20 0 FGADHM COC(=O)c1cnc(SCC(=O)N[C@@H](C)c2ccc3ccccc3c2)[n-]1 ZINC000187587595 496500298 /nfs/dbraw/zinc/50/02/98/496500298.db2.gz VWSYAHIICDLIPS-LBPRGKRZSA-N -1 3 369.446 3.319 20 0 FGADHM C[C@@H](Cc1ccccc1Cl)C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000153594077 496511102 /nfs/dbraw/zinc/51/11/02/496511102.db2.gz ZLSVRJHPBFQJRY-LBPRGKRZSA-N -1 3 355.829 3.015 20 0 FGADHM C[C@@H](Cc1ccccc1Cl)C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000153594077 496511104 /nfs/dbraw/zinc/51/11/04/496511104.db2.gz ZLSVRJHPBFQJRY-LBPRGKRZSA-N -1 3 355.829 3.015 20 0 FGADHM C[C@H](C(=O)Nc1nnc(C(F)(F)F)[n-]1)c1ccc(Br)cc1 ZINC000163484872 496521048 /nfs/dbraw/zinc/52/10/48/496521048.db2.gz HREJKKKXDORSKF-LURJTMIESA-N -1 3 363.137 3.328 20 0 FGADHM C[C@H](C(=O)Nc1nc(C(F)(F)F)n[n-]1)c1ccc(Br)cc1 ZINC000163484872 496521052 /nfs/dbraw/zinc/52/10/52/496521052.db2.gz HREJKKKXDORSKF-LURJTMIESA-N -1 3 363.137 3.328 20 0 FGADHM COc1cc(N[C@H]2CCCN(C(=O)c3cccc(C)c3[O-])C2)cc(OC)c1 ZINC000163510244 496525569 /nfs/dbraw/zinc/52/55/69/496525569.db2.gz DKLLTEIGEGUMJD-HNNXBMFYSA-N -1 3 370.449 3.435 20 0 FGADHM CC[C@@H]([N-]S(=O)(=O)c1cc(C)c(Br)s1)[C@H]1CCCO1 ZINC000157711278 496535142 /nfs/dbraw/zinc/53/51/42/496535142.db2.gz KYMGAIMTSQGYQA-NXEZZACHSA-N -1 3 368.318 3.055 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000163642856 496541815 /nfs/dbraw/zinc/54/18/15/496541815.db2.gz QIESGRLUXLLQFW-MRXNPFEDSA-N -1 3 372.396 3.349 20 0 FGADHM Cc1ccccc1O[C@H]1CCCC[C@@H]1NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000571940775 505851208 /nfs/dbraw/zinc/85/12/08/505851208.db2.gz RTHYBTLMDZUBNP-YJBOKZPZSA-N -1 3 367.449 3.488 20 0 FGADHM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccccc1)c1ccc2ccccc2c1 ZINC000181816869 496557035 /nfs/dbraw/zinc/55/70/35/496557035.db2.gz VHPJODPBXUPIFI-SFHVURJKSA-N -1 3 355.415 3.032 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)[C@@H]3CSc4ccccc43)[n-]c21 ZINC000157806189 496558554 /nfs/dbraw/zinc/55/85/54/496558554.db2.gz BIPLULNRQCKSMA-GFCCVEGCSA-N -1 3 353.403 3.178 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@@H]3CSc4ccccc43)nc21 ZINC000157806189 496558562 /nfs/dbraw/zinc/55/85/62/496558562.db2.gz BIPLULNRQCKSMA-GFCCVEGCSA-N -1 3 353.403 3.178 20 0 FGADHM COc1cc(C(=O)N2CCN(CC3CC3)c3ccccc32)cc(OC)c1[O-] ZINC000163832472 496562891 /nfs/dbraw/zinc/56/28/91/496562891.db2.gz JNLLZRNTBFZPQP-UHFFFAOYSA-N -1 3 368.433 3.286 20 0 FGADHM Cc1cc(Cl)cc(NC(=O)c2ccccc2SCC(N)=O)c1[O-] ZINC000175837096 496566585 /nfs/dbraw/zinc/56/65/85/496566585.db2.gz NDDNYIVLKHCTFR-UHFFFAOYSA-N -1 3 350.827 3.184 20 0 FGADHM FC(F)(F)Cn1ccnc1C[N-]c1nnc(CCOc2ccccc2)o1 ZINC000181837564 496566842 /nfs/dbraw/zinc/56/68/42/496566842.db2.gz SXTBZNIYFLVXRK-UHFFFAOYSA-N -1 3 367.331 3.062 20 0 FGADHM CC[C@@H]([N-]S(=O)(=O)c1ccc(-c2csc(C)n2)s1)[C@H]1CCCO1 ZINC000157847862 496569610 /nfs/dbraw/zinc/56/96/10/496569610.db2.gz XWVXOIHWYCLAPX-DGCLKSJQSA-N -1 3 372.537 3.416 20 0 FGADHM CC(=O)N1CCC[C@@H](C(=O)Nc2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000175847267 496571185 /nfs/dbraw/zinc/57/11/85/496571185.db2.gz ROPVPTFGPDDMSI-GOSISDBHSA-N -1 3 352.434 3.180 20 0 FGADHM Cc1noc(C)c1[C@H](C)C[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000178790260 496571738 /nfs/dbraw/zinc/57/17/38/496571738.db2.gz BCIUHLQGLWTPFP-SSDOTTSWSA-N -1 3 364.254 3.075 20 0 FGADHM CS[C@H](C)C[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000157891889 496578251 /nfs/dbraw/zinc/57/82/51/496578251.db2.gz SALWKVPFPGDPPC-SSDOTTSWSA-N -1 3 358.710 3.132 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)C1=Cc2ccccc2OC1)c1nc(C)cs1 ZINC000187849696 496594572 /nfs/dbraw/zinc/59/45/72/496594572.db2.gz NXRPQVDXYODZCT-AWEZNQCLSA-N -1 3 350.465 3.256 20 0 FGADHM Cc1ccc(-c2nnc(NC(=O)c3cccc(Nc4cnn(C)c4)c3)[n-]2)o1 ZINC000164234868 496597353 /nfs/dbraw/zinc/59/73/53/496597353.db2.gz TZRWSWZYUIZQJX-UHFFFAOYSA-N -1 3 363.381 3.103 20 0 FGADHM Cc1ccc(-c2n[n-]c(NC(=O)c3cccc(Nc4cnn(C)c4)c3)n2)o1 ZINC000164234868 496597357 /nfs/dbraw/zinc/59/73/57/496597357.db2.gz TZRWSWZYUIZQJX-UHFFFAOYSA-N -1 3 363.381 3.103 20 0 FGADHM Cc1ccc(-c2nc(NC(=O)c3cccc(Nc4cnn(C)c4)c3)n[n-]2)o1 ZINC000164234868 496597366 /nfs/dbraw/zinc/59/73/66/496597366.db2.gz TZRWSWZYUIZQJX-UHFFFAOYSA-N -1 3 363.381 3.103 20 0 FGADHM COC(=O)C(C)(C)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)cc1 ZINC000157980574 496600112 /nfs/dbraw/zinc/60/01/12/496600112.db2.gz RSUPNDROIUISJS-UHFFFAOYSA-N -1 3 365.426 3.386 20 0 FGADHM Cc1nc(C[N-]S(=O)(=O)c2sccc2Br)sc1C ZINC000173226723 496602291 /nfs/dbraw/zinc/60/22/91/496602291.db2.gz FPLNZKFQEASENN-UHFFFAOYSA-N -1 3 367.315 3.062 20 0 FGADHM Fc1ccccc1-c1noc(CSc2n[n-]c(-c3ccccn3)n2)n1 ZINC000187883944 496608450 /nfs/dbraw/zinc/60/84/50/496608450.db2.gz MHOMQMGCEVGNQY-UHFFFAOYSA-N -1 3 354.370 3.348 20 0 FGADHM C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)N1CCC[C@H](C(=O)[O-])C1 ZINC000164625668 496623052 /nfs/dbraw/zinc/62/30/52/496623052.db2.gz DYLIWAWQYSUFGW-UXLLHSPISA-N -1 3 354.450 3.202 20 0 FGADHM Cc1nn(C)c2sc(C(=O)Nc3nc(-c4ccccc4F)n[n-]3)cc12 ZINC000175970532 496623150 /nfs/dbraw/zinc/62/31/50/496623150.db2.gz IODVHHYZOBTVRK-UHFFFAOYSA-N -1 3 356.386 3.120 20 0 FGADHM Cc1cc(Cl)c([N-]S(=O)(=O)c2cccc(C(N)=O)c2)cc1Cl ZINC000178947299 496626253 /nfs/dbraw/zinc/62/62/53/496626253.db2.gz ASBNNLNZBZIJEI-UHFFFAOYSA-N -1 3 359.234 3.202 20 0 FGADHM C[C@@H](CN1CCCCC1)NC(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000187980243 496638053 /nfs/dbraw/zinc/63/80/53/496638053.db2.gz KFURPOIWPAQCSV-INIZCTEOSA-N -1 3 366.461 3.227 20 0 FGADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2n2cccn2)sc1Cl ZINC000188073593 496672899 /nfs/dbraw/zinc/67/28/99/496672899.db2.gz GBOPDIUGAPMPOQ-NEPJUHHUSA-N -1 3 359.904 3.369 20 0 FGADHM COc1cc(Cl)c(S(=O)(=O)[N-]Cc2ccc(O)cc2)cc1Cl ZINC000158328224 496677704 /nfs/dbraw/zinc/67/77/04/496677704.db2.gz FIHXHSJXAMDHEQ-UHFFFAOYSA-N -1 3 362.234 3.186 20 0 FGADHM O=C(/C=C/c1cncc([O-])c1)N1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000182139994 496685435 /nfs/dbraw/zinc/68/54/35/496685435.db2.gz YWPDHCGPVAQSRT-ZKDANVMZSA-N -1 3 356.397 3.054 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)[C@H]3C[C@H]3c3cc(F)ccc3F)[n-]c21 ZINC000158444795 496703632 /nfs/dbraw/zinc/70/36/32/496703632.db2.gz CMOFGSFIKJAKMY-AAEUAGOBSA-N -1 3 371.343 3.370 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@H]3C[C@H]3c3cc(F)ccc3F)nc21 ZINC000158444795 496703637 /nfs/dbraw/zinc/70/36/37/496703637.db2.gz CMOFGSFIKJAKMY-AAEUAGOBSA-N -1 3 371.343 3.370 20 0 FGADHM CC(C)n1cnc(S(=O)(=O)[N-]Cc2ccc(Oc3ccccc3)nc2)c1 ZINC000179230109 496717741 /nfs/dbraw/zinc/71/77/41/496717741.db2.gz AWJHZDGHVHIACC-UHFFFAOYSA-N -1 3 372.450 3.130 20 0 FGADHM COc1ccc(C(=O)C2CCN([C@@H](C(=O)[O-])c3ccsc3)CC2)cc1 ZINC000574816146 505861862 /nfs/dbraw/zinc/86/18/62/505861862.db2.gz GNSXFHKLAIZOND-QGZVFWFLSA-N -1 3 359.447 3.477 20 0 FGADHM CCOC(=O)[C@H](CC(C)C)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000182251234 496720111 /nfs/dbraw/zinc/72/01/11/496720111.db2.gz IEFNNKNAZMGQQL-KRWDZBQOSA-N -1 3 362.470 3.021 20 0 FGADHM O=c1nc(COc2nnc(-c3ccccc3)o2)[n-]c2sc3c(c21)CCC3 ZINC000182287171 496726365 /nfs/dbraw/zinc/72/63/65/496726365.db2.gz XIJSTRPXFKQHFC-UHFFFAOYSA-N -1 3 366.402 3.102 20 0 FGADHM Cc1cc(Br)c(F)cc1[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000185320000 496728709 /nfs/dbraw/zinc/72/87/09/496728709.db2.gz KKPCETNIAJOCKZ-JTQLQIEISA-N -1 3 366.252 3.207 20 0 FGADHM O=C([C@H]1C[C@H]1c1ccc(Cl)cc1Cl)N1CCc2c(=O)[n-]cnc2C1 ZINC000273186301 496734870 /nfs/dbraw/zinc/73/48/70/496734870.db2.gz FVBFRHLVOWBSKR-STQMWFEESA-N -1 3 364.232 3.177 20 0 FGADHM Cc1cc(C(=O)N2CCC(c3nc4ccccc4s3)CC2)[n-]c(=O)n1 ZINC000268582981 496740776 /nfs/dbraw/zinc/74/07/76/496740776.db2.gz FAHDHLFFRHIZMM-UHFFFAOYSA-N -1 3 354.435 3.120 20 0 FGADHM O=C(c1cc(F)cc2[n-]nnc21)N(Cc1ccccc1)CC1CCOCC1 ZINC000277345361 496743251 /nfs/dbraw/zinc/74/32/51/496743251.db2.gz DVGYSXBPILSNBW-UHFFFAOYSA-N -1 3 368.412 3.166 20 0 FGADHM O=C(c1cc(F)cc2nn[n-]c21)N(Cc1ccccc1)CC1CCOCC1 ZINC000277345361 496743257 /nfs/dbraw/zinc/74/32/57/496743257.db2.gz DVGYSXBPILSNBW-UHFFFAOYSA-N -1 3 368.412 3.166 20 0 FGADHM O=C(c1cc(F)cc2n[n-]nc21)N(Cc1ccccc1)CC1CCOCC1 ZINC000277345361 496743264 /nfs/dbraw/zinc/74/32/64/496743264.db2.gz DVGYSXBPILSNBW-UHFFFAOYSA-N -1 3 368.412 3.166 20 0 FGADHM COc1ccc(CN2CCC[C@@](CO)(C(C)C)C2)c(Br)c1[O-] ZINC000569151646 505863431 /nfs/dbraw/zinc/86/34/31/505863431.db2.gz RHYCLDPTSYDLOE-QGZVFWFLSA-N -1 3 372.303 3.394 20 0 FGADHM CSc1ccccc1NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000268635177 496750942 /nfs/dbraw/zinc/75/09/42/496750942.db2.gz NGKWFHODAJITHD-UHFFFAOYSA-N -1 3 371.462 3.104 20 0 FGADHM O=C(CCC(=O)c1ccc(-c2ccccc2)cc1)[N-]OC[C@H]1CCOC1 ZINC000188329942 496754471 /nfs/dbraw/zinc/75/44/71/496754471.db2.gz NTQDHPDACVXSIJ-INIZCTEOSA-N -1 3 353.418 3.401 20 0 FGADHM CN(C(=O)c1c[n-]c2ccccc2c1=O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000268700949 496763396 /nfs/dbraw/zinc/76/33/96/496763396.db2.gz KIUJPPDJIFVHKG-QGZVFWFLSA-N -1 3 361.445 3.287 20 0 FGADHM CCOC(=O)c1ccc(NC(=O)c2ccc3c(C)cc(=O)[nH]c3c2)c([O-])c1 ZINC000574844540 505866665 /nfs/dbraw/zinc/86/66/65/505866665.db2.gz MENHKQLBJCCLJY-UHFFFAOYSA-N -1 3 366.373 3.383 20 0 FGADHM COc1cc(CN[C@@H]2CCCc3c[nH]nc32)cc(Br)c1[O-] ZINC000268889012 496815464 /nfs/dbraw/zinc/81/54/64/496815464.db2.gz ZMFQPKITLPVSHI-GFCCVEGCSA-N -1 3 352.232 3.054 20 0 FGADHM CC[C@H](NC(=O)c1cc(F)cc2nn[n-]c21)c1nc(C(F)(F)F)cs1 ZINC000277614278 496829819 /nfs/dbraw/zinc/82/98/19/496829819.db2.gz IASPUKKAXJNPJZ-QMMMGPOBSA-N -1 3 373.335 3.453 20 0 FGADHM CC[C@H](NC(=O)c1cc(F)cc2[n-]nnc21)c1nc(C(F)(F)F)cs1 ZINC000277614278 496829824 /nfs/dbraw/zinc/82/98/24/496829824.db2.gz IASPUKKAXJNPJZ-QMMMGPOBSA-N -1 3 373.335 3.453 20 0 FGADHM CC[C@H](NC(=O)c1cc(F)cc2n[n-]nc21)c1nc(C(F)(F)F)cs1 ZINC000277614278 496829829 /nfs/dbraw/zinc/82/98/29/496829829.db2.gz IASPUKKAXJNPJZ-QMMMGPOBSA-N -1 3 373.335 3.453 20 0 FGADHM C[C@H](CON=C([O-])Nc1ccc2ccn(C)c2c1)NC(=O)OC(C)(C)C ZINC000273535847 496832921 /nfs/dbraw/zinc/83/29/21/496832921.db2.gz XHMHBYDHDCTELQ-GFCCVEGCSA-N -1 3 362.430 3.145 20 0 FGADHM C[C@H](CO[N-]C(=O)Nc1ccc2ccn(C)c2c1)NC(=O)OC(C)(C)C ZINC000273535847 496832927 /nfs/dbraw/zinc/83/29/27/496832927.db2.gz XHMHBYDHDCTELQ-GFCCVEGCSA-N -1 3 362.430 3.145 20 0 FGADHM O=S(=O)([N-][C@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1cncc(Cl)c1 ZINC000273561910 496840688 /nfs/dbraw/zinc/84/06/88/496840688.db2.gz YJSKWUCAELPCNI-GOEBONIOSA-N -1 3 370.833 3.073 20 0 FGADHM COc1cc(F)c(C(=O)[N-]c2nnc(CC(F)(F)F)s2)cc1OC ZINC000268981019 496841504 /nfs/dbraw/zinc/84/15/04/496841504.db2.gz NHORHVLONVQNHF-UHFFFAOYSA-N -1 3 365.308 3.052 20 0 FGADHM C[C@H]1CN(Cc2cc([O-])ccc2Br)c2ccccc2C(=O)N1 ZINC000580923086 505869264 /nfs/dbraw/zinc/86/92/64/505869264.db2.gz JRHMTFBLXHCKBK-NSHDSACASA-N -1 3 361.239 3.293 20 0 FGADHM Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1ccc(OC(C)C)cc1Cl ZINC000188599845 496847513 /nfs/dbraw/zinc/84/75/13/496847513.db2.gz UWINAVSKXGSFMV-UHFFFAOYSA-N -1 3 357.863 3.278 20 0 FGADHM COC(=O)CCSc1ncccc1[N-]C(=O)c1cc(C(C)=O)cs1 ZINC000273596098 496850178 /nfs/dbraw/zinc/85/01/78/496850178.db2.gz WDZJVTZBEBTXHE-UHFFFAOYSA-N -1 3 364.448 3.253 20 0 FGADHM CCSCCSCc1nc(=O)c2c(C)c(C(=O)OC)sc2[n-]1 ZINC000273627520 496857357 /nfs/dbraw/zinc/85/73/57/496857357.db2.gz PUJOSMIYFKETCT-UHFFFAOYSA-N -1 3 358.510 3.478 20 0 FGADHM O=C(Nc1cccc2c1CN(CC(F)(F)F)C2)c1ccc2n[n-]nc2c1 ZINC000188630436 496858160 /nfs/dbraw/zinc/85/81/60/496858160.db2.gz GBFPABAIOWYOHX-UHFFFAOYSA-N -1 3 361.327 3.088 20 0 FGADHM CCc1cc2c(CSc3nc(=O)ccn3C3CC3)cc(=O)oc2cc1[O-] ZINC000264330137 496873968 /nfs/dbraw/zinc/87/39/68/496873968.db2.gz PJPKFAHRSMMHNE-UHFFFAOYSA-N -1 3 370.430 3.245 20 0 FGADHM COc1cccc(N2CC[C@@H](CNC(=O)c3cc([O-])ccc3Cl)C2)c1 ZINC000277780157 496884215 /nfs/dbraw/zinc/88/42/15/496884215.db2.gz 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ZINC000269341089 496922925 /nfs/dbraw/zinc/92/29/25/496922925.db2.gz PSRFKTDAVQYURF-UHFFFAOYSA-N -1 3 374.412 3.003 20 0 FGADHM O=C(Nc1cc(Cl)ccc1OC[C@@H]1CCOC1)c1cccc2nn[n-]c21 ZINC000188877157 496934859 /nfs/dbraw/zinc/93/48/59/496934859.db2.gz XFXWNXJVNSFTAA-LLVKDONJSA-N -1 3 372.812 3.279 20 0 FGADHM O=C(Nc1cc(Cl)ccc1OC[C@@H]1CCOC1)c1cccc2[n-]nnc21 ZINC000188877157 496934866 /nfs/dbraw/zinc/93/48/66/496934866.db2.gz XFXWNXJVNSFTAA-LLVKDONJSA-N -1 3 372.812 3.279 20 0 FGADHM O=C(Nc1cc(Cl)ccc1OC[C@@H]1CCOC1)c1cccc2n[n-]nc21 ZINC000188877157 496934875 /nfs/dbraw/zinc/93/48/75/496934875.db2.gz XFXWNXJVNSFTAA-LLVKDONJSA-N -1 3 372.812 3.279 20 0 FGADHM CC(C)(C)c1ccc(-c2nc([N-]C(=O)c3ccc(C(N)=O)s3)n[nH]2)cc1 ZINC000195494708 496939652 /nfs/dbraw/zinc/93/96/52/496939652.db2.gz HSAFISBTVAWXTQ-UHFFFAOYSA-N -1 3 369.450 3.182 20 0 FGADHM CCCCc1nc(C(=O)OCC)c(NC(=O)CCC2CCOCC2)[n-]1 ZINC000191962058 496944387 /nfs/dbraw/zinc/94/43/87/496944387.db2.gz FRNOFVFRPPQNGH-UHFFFAOYSA-N -1 3 351.447 3.074 20 0 FGADHM CCCCc1nc(NC(=O)CCC2CCOCC2)c(C(=O)OCC)[n-]1 ZINC000191962058 496944390 /nfs/dbraw/zinc/94/43/90/496944390.db2.gz FRNOFVFRPPQNGH-UHFFFAOYSA-N -1 3 351.447 3.074 20 0 FGADHM O=C(Nc1nnc(-c2ccccn2)[n-]1)c1cccc(Br)c1F ZINC000191960106 496945144 /nfs/dbraw/zinc/94/51/44/496945144.db2.gz MGFHXZHRALDWEI-UHFFFAOYSA-N -1 3 362.162 3.021 20 0 FGADHM O=C(Nc1nc(-c2ccccn2)n[n-]1)c1cccc(Br)c1F ZINC000191960106 496945147 /nfs/dbraw/zinc/94/51/47/496945147.db2.gz MGFHXZHRALDWEI-UHFFFAOYSA-N -1 3 362.162 3.021 20 0 FGADHM CCCCc1nc(C(=O)OCC)c(NC(=O)Cc2noc3ccccc23)[n-]1 ZINC000191962212 496945191 /nfs/dbraw/zinc/94/51/91/496945191.db2.gz HTUODYBOGOPLLM-UHFFFAOYSA-N -1 3 370.409 3.251 20 0 FGADHM CCCCc1nc(NC(=O)Cc2noc3ccccc23)c(C(=O)OCC)[n-]1 ZINC000191962212 496945194 /nfs/dbraw/zinc/94/51/94/496945194.db2.gz HTUODYBOGOPLLM-UHFFFAOYSA-N -1 3 370.409 3.251 20 0 FGADHM O=C([N-]c1cnns1)C(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000191971011 496948716 /nfs/dbraw/zinc/94/87/16/496948716.db2.gz FKTQLJZQWDPFFO-HNNXBMFYSA-N -1 3 372.837 3.036 20 0 FGADHM CCC(CC)(CNC(=O)C(=O)[N-]c1cnns1)c1ccc(Cl)cc1 ZINC000192008061 496961292 /nfs/dbraw/zinc/96/12/92/496961292.db2.gz KMIJPQNUWHSHEU-UHFFFAOYSA-N -1 3 366.874 3.004 20 0 FGADHM CC(C)(CO)[C@@H](CNC(=O)c1cc(=O)c2ccccc2[n-]1)c1ccccc1 ZINC000269587487 496975241 /nfs/dbraw/zinc/97/52/41/496975241.db2.gz IQITVRSBPCDIJZ-KRWDZBQOSA-N -1 3 364.445 3.473 20 0 FGADHM CCc1cc(=O)[n-]c(CN[C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)n1 ZINC000192096869 496994341 /nfs/dbraw/zinc/99/43/41/496994341.db2.gz PMJVILJBTHMANE-WMLDXEAASA-N -1 3 351.809 3.157 20 0 FGADHM O=C([N-]c1cnns1)C(=O)N1CCCCC[C@@H]1/C=C/c1cccs1 ZINC000192098635 496994617 /nfs/dbraw/zinc/99/46/17/496994617.db2.gz ACJLFBNTPUMADV-ABZNLYFFSA-N -1 3 362.480 3.023 20 0 FGADHM COC(=O)c1ccc(CCNC(=O)c2cc([O-])ccc2C(F)(F)F)cc1 ZINC000189065152 496996139 /nfs/dbraw/zinc/99/61/39/496996139.db2.gz GFWMGKHXWZRBFT-UHFFFAOYSA-N -1 3 367.323 3.170 20 0 FGADHM CN1c2ccc([N-]S(=O)(=O)c3ccc(C4CC4)cc3)cc2CCC1=O ZINC000574898532 505878779 /nfs/dbraw/zinc/87/87/79/505878779.db2.gz WMWPKEMCGBPBLP-UHFFFAOYSA-N -1 3 356.447 3.274 20 0 FGADHM O=S(=O)([N-]Cc1nccs1)c1ccc(Cl)c(Br)c1 ZINC000192187976 497027065 /nfs/dbraw/zinc/02/70/65/497027065.db2.gz WYVJBWKLGCZLPB-UHFFFAOYSA-N -1 3 367.677 3.038 20 0 FGADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1ccccc1OC[C@@H]1CCCCO1 ZINC000274223366 497044845 /nfs/dbraw/zinc/04/48/45/497044845.db2.gz QURGPIDLZRBFTB-WMLDXEAASA-N -1 3 350.415 3.214 20 0 FGADHM O=C([N-]O[C@@H]1CCCCO1)Nc1ccccc1OC[C@@H]1CCCCO1 ZINC000274223366 497044851 /nfs/dbraw/zinc/04/48/51/497044851.db2.gz QURGPIDLZRBFTB-WMLDXEAASA-N -1 3 350.415 3.214 20 0 FGADHM [O-]C(=NO[C@H]1CCCCO1)Nc1ccc(N2CCSCC2)c(Cl)c1 ZINC000274237249 497048162 /nfs/dbraw/zinc/04/81/62/497048162.db2.gz SXNZVQBBIMMDHZ-HNNXBMFYSA-N -1 3 371.890 3.473 20 0 FGADHM O=C([N-]O[C@H]1CCCCO1)Nc1ccc(N2CCSCC2)c(Cl)c1 ZINC000274237249 497048165 /nfs/dbraw/zinc/04/81/65/497048165.db2.gz SXNZVQBBIMMDHZ-HNNXBMFYSA-N -1 3 371.890 3.473 20 0 FGADHM CCCC1CCC(N(C)C(=O)c2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)CC1 ZINC000192268930 497057503 /nfs/dbraw/zinc/05/75/03/497057503.db2.gz YTGXUZJVWLECQU-FXMMLYEBSA-N -1 3 371.481 3.172 20 0 FGADHM Cc1[nH]c(-c2cccc(C(F)(F)F)c2)nc1C(=O)[N-]N1CCCCC1=O ZINC000270187250 497073295 /nfs/dbraw/zinc/07/32/95/497073295.db2.gz HIVJPVSIVSELLK-UHFFFAOYSA-N -1 3 366.343 3.061 20 0 FGADHM CCOC(=O)c1sc([N-]C(=O)c2cc(CSCC)on2)nc1C ZINC000274411296 497092020 /nfs/dbraw/zinc/09/20/20/497092020.db2.gz GYXDOLZCJOKADF-UHFFFAOYSA-N -1 3 355.441 3.122 20 0 FGADHM CCc1ccc(CS(=O)(=O)[N-][C@@H](c2nc(C3CC3)no2)C(C)C)cc1 ZINC000274430161 497096108 /nfs/dbraw/zinc/09/61/08/497096108.db2.gz GDDSQBAKURQLMN-MRXNPFEDSA-N -1 3 363.483 3.326 20 0 FGADHM Cc1ccccc1CC[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000230589189 497106032 /nfs/dbraw/zinc/10/60/32/497106032.db2.gz WKBGZTIZZYOTLL-UHFFFAOYSA-N -1 3 372.259 3.418 20 0 FGADHM Cc1cccc(C(=O)Nc2cccc(C(=O)NCc3ccccn3)c2)c1[O-] ZINC000192570446 497152163 /nfs/dbraw/zinc/15/21/63/497152163.db2.gz HGRKTXZRKWCWMH-UHFFFAOYSA-N -1 3 361.401 3.278 20 0 FGADHM CC(C)c1ccc(C(=O)N2CCC(CN3CCCCC3=O)CC2)c([O-])c1 ZINC000265638727 497152345 /nfs/dbraw/zinc/15/23/45/497152345.db2.gz VCKCISNTBQYZFB-UHFFFAOYSA-N -1 3 358.482 3.380 20 0 FGADHM O=S(=O)(C[C@H]1CCCO1)[N-]c1ccc(Oc2cccc(F)c2F)nc1 ZINC000278585315 497158315 /nfs/dbraw/zinc/15/83/15/497158315.db2.gz SKWPINZQMJRGSL-GFCCVEGCSA-N -1 3 370.377 3.073 20 0 FGADHM O=C(Nc1ccc(Cn2cncn2)cc1)c1cc([O-])ccc1C(F)(F)F ZINC000192608327 497162446 /nfs/dbraw/zinc/16/24/46/497162446.db2.gz CQQBPBNIKHTLTQ-UHFFFAOYSA-N -1 3 362.311 3.303 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@@H]2CC3CCC2CC3)c1-c1ccc2c(c1)OCCO2 ZINC000578217347 505888820 /nfs/dbraw/zinc/88/88/20/505888820.db2.gz GKBFTTVMVROJSI-ZBCRRDGASA-N -1 3 367.449 3.343 20 0 FGADHM O=S(=O)(CCc1cccs1)[N-][C@@H](c1nccs1)c1ccccc1 ZINC000189593022 497175832 /nfs/dbraw/zinc/17/58/32/497175832.db2.gz RDICAXPDROWTCK-OAHLLOKOSA-N -1 3 364.517 3.456 20 0 FGADHM CCN1CCN(c2ccc(C(=O)Nc3ccc(C(=O)[O-])c(C)c3)cc2)CC1 ZINC000236997893 497179131 /nfs/dbraw/zinc/17/91/31/497179131.db2.gz GICFBRHNKZMACK-UHFFFAOYSA-N -1 3 367.449 3.087 20 0 FGADHM CCn1nc(C)c(S(=O)(=O)[N-]c2ccccc2Br)c1C ZINC000265901438 497204084 /nfs/dbraw/zinc/20/40/84/497204084.db2.gz DYIZGQYJNAVSBT-UHFFFAOYSA-N -1 3 358.261 3.083 20 0 FGADHM O=C(c1ccccc1[O-])N1CCN(Cc2ccc(Cl)nc2Cl)CC1 ZINC000278765522 497212759 /nfs/dbraw/zinc/21/27/59/497212759.db2.gz YHFGRMBMGJOISK-UHFFFAOYSA-N -1 3 366.248 3.052 20 0 FGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)c1ccoc1Br ZINC000192788135 497214044 /nfs/dbraw/zinc/21/40/44/497214044.db2.gz ZREPFPIYCZGDBR-UHFFFAOYSA-N -1 3 357.160 3.022 20 0 FGADHM CC1(C)[C@H](NC(=O)c2c[n-]nc2-c2ccc(Cl)s2)[C@H]2CCO[C@H]21 ZINC000249526309 497217440 /nfs/dbraw/zinc/21/74/40/497217440.db2.gz ABMHHZRMNIWPKI-GFWSLJDESA-N -1 3 351.859 3.335 20 0 FGADHM Cc1cccc2c(=O)c(C(=O)N3CCn4c(C(C)C)nnc4[C@H]3C)c[n-]c12 ZINC000189845829 497265237 /nfs/dbraw/zinc/26/52/37/497265237.db2.gz WEAXRSNOVBCEHE-CYBMUJFWSA-N -1 3 365.437 3.181 20 0 FGADHM C[C@@H]1CN(C(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)[C@@H]1c1ccccc1 ZINC000266324739 497305417 /nfs/dbraw/zinc/30/54/17/497305417.db2.gz SBQJBCXGLXLSFO-PXAZEXFGSA-N -1 3 362.426 3.030 20 0 FGADHM CCCS(=O)(=O)Cc1nc(=O)c2c(-c3ccc(F)cc3)csc2[n-]1 ZINC000193261276 497335649 /nfs/dbraw/zinc/33/56/49/497335649.db2.gz DGMCYSAZWUUXEG-UHFFFAOYSA-N -1 3 366.439 3.116 20 0 FGADHM CCc1cccc(Oc2ccc([N-]S(=O)(=O)C[C@@H](C)OC)cn2)c1 ZINC000193313912 497346481 /nfs/dbraw/zinc/34/64/81/497346481.db2.gz CJVOBSMDJQZGFM-CYBMUJFWSA-N -1 3 350.440 3.213 20 0 FGADHM CC(C)c1ccc(C(=O)N2CCC[C@@H]2CC(=O)c2cnn(C)c2)c([O-])c1 ZINC000271464999 497355924 /nfs/dbraw/zinc/35/59/24/497355924.db2.gz UEJIWSXNZZFGJY-MRXNPFEDSA-N -1 3 355.438 3.127 20 0 FGADHM CCCCOc1ccc(C(=O)NCc2nncn2-c2ccccc2)c([O-])c1 ZINC000190113378 497362653 /nfs/dbraw/zinc/36/26/53/497362653.db2.gz DBXABDWCQLAYJE-UHFFFAOYSA-N -1 3 366.421 3.082 20 0 FGADHM Cc1ccc(/C=C\CC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000255630567 497372824 /nfs/dbraw/zinc/37/28/24/497372824.db2.gz HDDOMZODZGNWBV-IHWYPQMZSA-N -1 3 364.445 3.089 20 0 FGADHM CCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N3C)cc1CC ZINC000193455677 497384320 /nfs/dbraw/zinc/38/43/20/497384320.db2.gz CVFWXSGGTSAEKB-UHFFFAOYSA-N -1 3 358.463 3.131 20 0 FGADHM CCOC(=O)c1csc([C@H]2CCCN2C(=O)c2ccc(C)cc2[O-])n1 ZINC000190216252 497403437 /nfs/dbraw/zinc/40/34/37/497403437.db2.gz XLNCWWHEUIPJPN-CQSZACIVSA-N -1 3 360.435 3.311 20 0 FGADHM CN(Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1)[C@H]1CC[C@H](O)CC1 ZINC000275782661 497430122 /nfs/dbraw/zinc/43/01/22/497430122.db2.gz CEHBUKDAPVLSMO-HAQNSBGRSA-N -1 3 359.451 3.392 20 0 FGADHM CC(C)[C@H]1CC[C@H](C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)CC1 ZINC000245544569 497448505 /nfs/dbraw/zinc/44/85/05/497448505.db2.gz MHVDDACWJUMOAQ-QAQDUYKDSA-N -1 3 358.482 3.139 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]Cc2noc(-c3ccccc3)n2)sc1Cl ZINC000193708887 497454486 /nfs/dbraw/zinc/45/44/86/497454486.db2.gz CEKFRQJSMNHTLJ-UHFFFAOYSA-N -1 3 369.855 3.238 20 0 FGADHM COc1cc(C(=O)N[C@H](C)c2ccc(NC(=O)NC3CC3)cc2)ccc1[O-] ZINC000276153393 497510092 /nfs/dbraw/zinc/51/00/92/497510092.db2.gz FEVZCHWEKOCLNF-GFCCVEGCSA-N -1 3 369.421 3.176 20 0 FGADHM [O-]C(=NO[C@H]1CCCCO1)Nc1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000276157026 497511339 /nfs/dbraw/zinc/51/13/39/497511339.db2.gz FVMHPZRKZUZGTJ-LRDDRELGSA-N -1 3 370.833 3.335 20 0 FGADHM O=C([N-]O[C@H]1CCCCO1)Nc1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000276157026 497511341 /nfs/dbraw/zinc/51/13/41/497511341.db2.gz FVMHPZRKZUZGTJ-LRDDRELGSA-N -1 3 370.833 3.335 20 0 FGADHM COC[C@H](C)Oc1ccc(Cl)cc1NC([O-])=NO[C@@H]1CCCCO1 ZINC000276188152 497516615 /nfs/dbraw/zinc/51/66/15/497516615.db2.gz LZFCJXWNOQBMAM-XHDPSFHLSA-N -1 3 358.822 3.333 20 0 FGADHM COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)[N-]O[C@@H]1CCCCO1 ZINC000276188152 497516619 /nfs/dbraw/zinc/51/66/19/497516619.db2.gz LZFCJXWNOQBMAM-XHDPSFHLSA-N -1 3 358.822 3.333 20 0 FGADHM CC(=O)CCCc1nc(Cc2nc(=O)c3c(C4CC4)csc3[n-]2)no1 ZINC000276296437 497538408 /nfs/dbraw/zinc/53/84/08/497538408.db2.gz IYZNLOOMUCCOCL-UHFFFAOYSA-N -1 3 358.423 3.160 20 0 FGADHM CCCCOCCOCc1cccc(NC(=O)[N-]OC[C@@H]2CCOC2)c1 ZINC000276323458 497544926 /nfs/dbraw/zinc/54/49/26/497544926.db2.gz DRGSKWWGHLGIAA-QGZVFWFLSA-N -1 3 366.458 3.110 20 0 FGADHM CCCCOc1ccc(C(=O)Nc2cc(Cl)c(=O)n(C)c2)c([O-])c1 ZINC000190645252 497557852 /nfs/dbraw/zinc/55/78/52/497557852.db2.gz FINOMLMRYCGGGS-UHFFFAOYSA-N -1 3 350.802 3.176 20 0 FGADHM CO[C@H]1CCC[C@@H](CC(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)C1 ZINC000279861853 497567835 /nfs/dbraw/zinc/56/78/35/497567835.db2.gz IZVZJIUYCZSFOV-WBVHZDCISA-N -1 3 374.481 3.165 20 0 FGADHM Cc1cccc2c1CN(C(=O)c1c[n-]c3c(C)cc(F)cc3c1=O)CC2 ZINC000575080907 505915619 /nfs/dbraw/zinc/91/56/19/505915619.db2.gz BNWIWIKMGGJSMY-UHFFFAOYSA-N -1 3 350.393 3.483 20 0 FGADHM O=C([N-]OC[C@H]1CCOC1)Nc1cccc(NC(=O)Nc2ccccc2)c1 ZINC000276471740 497582324 /nfs/dbraw/zinc/58/23/24/497582324.db2.gz YTWOUNXXKTXFRA-AWEZNQCLSA-N -1 3 370.409 3.420 20 0 FGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N(C)[C@@H](C)C2(C)CC2)cc1OC ZINC000267640279 497592716 /nfs/dbraw/zinc/59/27/16/497592716.db2.gz QTUKDIPESQZAKG-LBPRGKRZSA-N -1 3 369.487 3.109 20 0 FGADHM CCc1cc(=O)c2cc(NC(=O)c3n[n-]nc3-c3ccccc3)ccc2[nH]1 ZINC000194226367 497607983 /nfs/dbraw/zinc/60/79/83/497607983.db2.gz PKHOJPZJLCEGNO-UHFFFAOYSA-N -1 3 359.389 3.128 20 0 FGADHM O=C([O-])c1ccc(CN2CC[C@@H](C3CCOCC3)C2)c(Br)c1 ZINC000581137649 505917731 /nfs/dbraw/zinc/91/77/31/505917731.db2.gz YGLOAUWUZBDLJH-CQSZACIVSA-N -1 3 368.271 3.396 20 0 FGADHM CCc1nnc(C2CCN(C(=O)c3cc([O-])ccc3C(F)(F)F)CC2)[nH]1 ZINC000194344828 497640360 /nfs/dbraw/zinc/64/03/60/497640360.db2.gz ULXZKDWMRIESMM-UHFFFAOYSA-N -1 3 368.359 3.111 20 0 FGADHM CCc1ccc(C(=O)N2CCC[C@@H]2c2nc(C(=O)OC)c(C)s2)c([O-])c1 ZINC000280096508 497648446 /nfs/dbraw/zinc/64/84/46/497648446.db2.gz RBEWEQLCQIZBFU-CQSZACIVSA-N -1 3 374.462 3.483 20 0 FGADHM COC(=O)c1nc([C@@H]2CCCN2C(=O)c2ccc([O-])c(C)c2)sc1C ZINC000280113749 497653671 /nfs/dbraw/zinc/65/36/71/497653671.db2.gz RUPATMMQCNKQHF-ZDUSSCGKSA-N -1 3 360.435 3.229 20 0 FGADHM Cc1ccc(C(=O)N2CCC(NC(=O)c3ccc([O-])c(C)c3)CC2)cc1 ZINC000272546270 497657673 /nfs/dbraw/zinc/65/76/73/497657673.db2.gz YLBDTEIYFKNREG-UHFFFAOYSA-N -1 3 352.434 3.044 20 0 FGADHM CCOc1cc(C[NH2+]C[C@H](CC(C)C)C(=O)[O-])cc(Br)c1[O-] ZINC000263012905 497681209 /nfs/dbraw/zinc/68/12/09/497681209.db2.gz CKCNHPITVLKXEW-LBPRGKRZSA-N -1 3 374.275 3.390 20 0 FGADHM COc1cc(C(=O)N2Cc3ccccc3C[C@H]2c2nnc(C)o2)ccc1[O-] ZINC000276910967 497685535 /nfs/dbraw/zinc/68/55/35/497685535.db2.gz KQUZKKAMEDXUOA-INIZCTEOSA-N -1 3 365.389 3.032 20 0 FGADHM COc1cc(S(=O)(=O)[N-]c2cc(CN(C)C)ccc2C)ccc1F ZINC000191029877 497687055 /nfs/dbraw/zinc/68/70/55/497687055.db2.gz GEQTUUZWOXDSLD-UHFFFAOYSA-N -1 3 352.431 3.005 20 0 FGADHM COc1ccc(OCc2ccccn2)c(CN2C[C@H](C)C[C@H](C(=O)[O-])C2)c1 ZINC000263050153 497691307 /nfs/dbraw/zinc/69/13/07/497691307.db2.gz KRDVGFDMVPLREO-WBVHZDCISA-N -1 3 370.449 3.212 20 0 FGADHM O=C([O-])[C@H]1CC[C@H](CNCc2cn(-c3ccc(F)cc3Cl)nn2)CC1 ZINC000276941320 497693080 /nfs/dbraw/zinc/69/30/80/497693080.db2.gz CRVMSJBAQRDCCC-HAQNSBGRSA-N -1 3 366.824 3.040 20 0 FGADHM COc1cc(C(=O)N[C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)ccc1[O-] ZINC000277021062 497717527 /nfs/dbraw/zinc/71/75/27/497717527.db2.gz CJOSQSKCHONTKQ-WMLDXEAASA-N -1 3 365.788 3.453 20 0 FGADHM C[C@@H](NC(C)(C)CNC(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1)c1ccccc1 ZINC000263164670 497722031 /nfs/dbraw/zinc/72/20/31/497722031.db2.gz CKJXCJQAAKOGAQ-LDBYXDLTSA-N -1 3 373.497 3.012 20 0 FGADHM CC(C)[C@@H](NC(=O)C(=O)[N-]c1cnns1)c1ccc(C(C)(C)C)cc1 ZINC000277053923 497728126 /nfs/dbraw/zinc/72/81/26/497728126.db2.gz ITANPHHJPZDZMH-OAHLLOKOSA-N -1 3 360.483 3.288 20 0 FGADHM O=C(c1c([O-])cccc1O)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000272805767 497734444 /nfs/dbraw/zinc/73/44/44/497734444.db2.gz GZALPIIBSFEXTK-OAHLLOKOSA-N -1 3 367.323 3.330 20 0 FGADHM Cn1nc(-c2ccccc2)nc1[N-]C(=O)c1csc([C@@H]2CCCO2)n1 ZINC000280375204 497734475 /nfs/dbraw/zinc/73/44/75/497734475.db2.gz VBUCXFRWKIIFQO-ZDUSSCGKSA-N -1 3 355.423 3.042 20 0 FGADHM CN1CC[C@@H]([N-]S(=O)(=O)c2cccs2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246459877 497741274 /nfs/dbraw/zinc/74/12/74/497741274.db2.gz JDRBXDJGIVARBL-UKRRQHHQSA-N -1 3 374.890 3.264 20 0 FGADHM Cc1cc(C)cc(C[C@H](NCc2cccc3c2OCCCO3)C(=O)[O-])c1 ZINC000277111688 497745539 /nfs/dbraw/zinc/74/55/39/497745539.db2.gz AKMSYIVGKYKSFT-SFHVURJKSA-N -1 3 355.434 3.250 20 0 FGADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2ccc(OCC3CC3)cc2)CC1 ZINC000191247718 497756518 /nfs/dbraw/zinc/75/65/18/497756518.db2.gz GAHUABBOPPPMHI-UHFFFAOYSA-N -1 3 366.461 3.139 20 0 FGADHM C[C@@H](c1ccccc1)N1CCC(N=c2[n-]nc(C3CCOCC3)s2)CC1 ZINC000581179227 505927423 /nfs/dbraw/zinc/92/74/23/505927423.db2.gz PQBFTBNMLHLBBV-HNNXBMFYSA-N -1 3 372.538 3.492 20 0 FGADHM C[C@@H](NC(=O)[C@@H](C)N1C[C@H](C)C[C@H](C(=O)[O-])C1)c1ccc2c(c1)CCCC2 ZINC000263331259 497760073 /nfs/dbraw/zinc/76/00/73/497760073.db2.gz LOLOGBPOTARDLM-NLDJYOPPSA-N -1 3 372.509 3.174 20 0 FGADHM COCc1nc(S[C@H](C)C(=O)Nc2cccc(Cl)c2Cl)n[n-]1 ZINC000268481662 497762682 /nfs/dbraw/zinc/76/26/82/497762682.db2.gz LDKQZMXWANDLBH-SSDOTTSWSA-N -1 3 361.254 3.377 20 0 FGADHM CCC[C@@H](NC(=O)c1cc(OC)c([O-])c(OC)c1)[C@@H](O)c1ccccc1 ZINC000280493965 497771305 /nfs/dbraw/zinc/77/13/05/497771305.db2.gz HFMFEMZSDHYCER-QAPCUYQASA-N -1 3 359.422 3.042 20 0 FGADHM C[C@@H]1CN(CC(=O)N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)[O-] ZINC000263379732 497771543 /nfs/dbraw/zinc/77/15/43/497771543.db2.gz XAXXICZTHUXOCQ-ATZDWAIDSA-N -1 3 372.509 3.300 20 0 FGADHM C[C@@H](NC(=O)[C@@H](C)N1C[C@H](C)C[C@H](C(=O)[O-])C1)c1ccc2ccccc2c1 ZINC000263389001 497773549 /nfs/dbraw/zinc/77/35/49/497773549.db2.gz YJYMPZLJEIVKRC-NLDJYOPPSA-N -1 3 368.477 3.448 20 0 FGADHM O=C([O-])c1ccc(CNC(=O)NCCN2CCC3(CCCCC3)CC2)cc1 ZINC000263398907 497776063 /nfs/dbraw/zinc/77/60/63/497776063.db2.gz RUTLVJZITVGUEU-UHFFFAOYSA-N -1 3 373.497 3.230 20 0 FGADHM CN(C)CCN(CCCc1ccccc1)C(=O)c1cccc(C(=O)[O-])c1 ZINC000263402902 497777195 /nfs/dbraw/zinc/77/71/95/497777195.db2.gz HARVQMCWRNGKAC-UHFFFAOYSA-N -1 3 354.450 3.021 20 0 FGADHM CC(C)(C)OC(=O)NC[C@@H](NC(=O)c1cc([O-])ccc1Cl)C1CC1 ZINC000277295390 497797117 /nfs/dbraw/zinc/79/71/17/497797117.db2.gz AQRJLDBWKAMYMC-CQSZACIVSA-N -1 3 354.834 3.079 20 0 FGADHM Cc1c([O-])ccc2c(CN3CCC[C@@H]3C[C@@H](O)c3ccco3)cc(=O)oc12 ZINC000246814824 497813231 /nfs/dbraw/zinc/81/32/31/497813231.db2.gz YVHCOHIDUDQAGO-CRAIPNDOSA-N -1 3 369.417 3.488 20 0 FGADHM CCCc1ccc(-c2cc(=NC(=O)c3nnc4ccccc4n3)[nH][n-]2)cc1 ZINC000572290826 505934807 /nfs/dbraw/zinc/93/48/07/505934807.db2.gz MMXNWRPEWFKCCN-UHFFFAOYSA-N -1 3 358.405 3.042 20 0 FGADHM COc1ccc(CNC[C@@H](CO)C2CCCCC2)c(Br)c1[O-] ZINC000575154584 505932097 /nfs/dbraw/zinc/93/20/97/505932097.db2.gz SOTYVLGGGSIVMI-AWEZNQCLSA-N -1 3 372.303 3.442 20 0 FGADHM COc1cc(C(=O)N2CCCC[C@H]2c2nnc(C3CCC3)o2)ccc1[O-] ZINC000291985852 497826140 /nfs/dbraw/zinc/82/61/40/497826140.db2.gz XLSRDMVERNRHKA-AWEZNQCLSA-N -1 3 357.410 3.419 20 0 FGADHM CC1(C)CCN(C(=O)CCc2ccc3ccccc3c2[O-])CC[S@@]1=O ZINC000333965907 497832955 /nfs/dbraw/zinc/83/29/55/497832955.db2.gz QMAMMKORVGVSDL-VWLOTQADSA-N -1 3 359.491 3.238 20 0 FGADHM Cn1[n-]c(=NC(=O)[C@@H]2CC[C@H]2c2ccc(Cl)cc2F)cc1OC(F)F ZINC000575211600 505943313 /nfs/dbraw/zinc/94/33/13/505943313.db2.gz IIPKPQJZOPUABR-GXSJLCMTSA-N -1 3 373.762 3.368 20 0 FGADHM Cc1nc(C)c(CCC(=O)N[C@@H]2CC[C@H](c3cccc(F)c3)C2)c(=O)[n-]1 ZINC000280958440 497965439 /nfs/dbraw/zinc/96/54/39/497965439.db2.gz URSYMTVDIVCSAZ-DOTOQJQBSA-N -1 3 357.429 3.323 20 0 FGADHM Cc1nc(CN2CCC(c3nc(=O)[n-][nH]3)CC2)oc1-c1ccc(Cl)cc1 ZINC000280972185 497971039 /nfs/dbraw/zinc/97/10/39/497971039.db2.gz KPVMWLLXOQZLGK-UHFFFAOYSA-N -1 3 373.844 3.094 20 0 FGADHM O=S(=O)([N-]CCC(F)(F)F)c1cnc2onc(-c3ccccc3)c2c1 ZINC000569533549 505956912 /nfs/dbraw/zinc/95/69/12/505956912.db2.gz JNGNJKAQTBSGII-UHFFFAOYSA-N -1 3 371.340 3.121 20 0 FGADHM Cc1cc(-c2nc(-c3cc(=O)[n-]cn3)no2)ccc1NC(=O)CC(C)C ZINC000575311429 505958374 /nfs/dbraw/zinc/95/83/74/505958374.db2.gz FXSXJXIJPYWFIH-UHFFFAOYSA-N -1 3 353.382 3.192 20 0 FGADHM CCOc1cc(-c2noc(CC3CCN(C)CC3)n2)cc(Cl)c1[O-] ZINC000289081407 498007716 /nfs/dbraw/zinc/00/77/16/498007716.db2.gz IYKLGHLTWUDNQA-UHFFFAOYSA-N -1 3 351.834 3.379 20 0 FGADHM CCSc1cccc(F)c1[N-]S(=O)(=O)c1ccc(N(C)C)nc1 ZINC000581342742 505965121 /nfs/dbraw/zinc/96/51/21/505965121.db2.gz GDSVYJHQYRJLJO-UHFFFAOYSA-N -1 3 355.460 3.200 20 0 FGADHM Cc1cc(=O)[n-]c([C@@H](C)N(C)Cc2cc3c(cc2OC(F)F)OCO3)n1 ZINC000581350495 505968015 /nfs/dbraw/zinc/96/80/15/505968015.db2.gz ZWKMTEZUKOKNQR-SNVBAGLBSA-N -1 3 367.352 3.014 20 0 FGADHM O=S(=O)([N-]C[C@@H]1CCCOC1)c1cc(Cl)ccc1C(F)(F)F ZINC000285290140 498042932 /nfs/dbraw/zinc/04/29/32/498042932.db2.gz SYDJPRRYXYUFNA-VIFPVBQESA-N -1 3 357.781 3.064 20 0 FGADHM O=S(=O)([N-][C@@H](c1ccncc1)c1cc(F)ccc1F)c1ccco1 ZINC000364602198 498045756 /nfs/dbraw/zinc/04/57/56/498045756.db2.gz AARHQSMAPCVMNM-INIZCTEOSA-N -1 3 350.346 3.021 20 0 FGADHM O=C(Cc1ccccc1OC1CCCC1)N=c1cc(-c2ccncc2)[n-][nH]1 ZINC000581356335 505969782 /nfs/dbraw/zinc/96/97/82/505969782.db2.gz TTZBNYRHHOZXHS-UHFFFAOYSA-N -1 3 362.433 3.396 20 0 FGADHM O=S(=O)([N-][C@@H]1CCOC2(CCC2)C1)c1cc(Cl)cc(Cl)c1 ZINC000330171368 498048773 /nfs/dbraw/zinc/04/87/73/498048773.db2.gz FISHMXILPUWCNG-GFCCVEGCSA-N -1 3 350.267 3.373 20 0 FGADHM O=S(=O)([N-][C@H]1CCOC2(CCC2)C1)c1ccc(Cl)c(Cl)c1 ZINC000330181452 498051417 /nfs/dbraw/zinc/05/14/17/498051417.db2.gz OCEAGDCDMUAYRL-JTQLQIEISA-N -1 3 350.267 3.373 20 0 FGADHM Cc1cnc([C@@H]([N-]S(=O)(=O)C[C@@H]2CCCC2(F)F)C2CC2)s1 ZINC000572472778 505977119 /nfs/dbraw/zinc/97/71/19/505977119.db2.gz PRQZIQMFIOLRHQ-RYUDHWBXSA-N -1 3 350.456 3.257 20 0 FGADHM Cc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)CCC3CCC3)n2)cc1F ZINC000572471486 505977313 /nfs/dbraw/zinc/97/73/13/505977313.db2.gz ZVALRDQJYVYQTD-GFCCVEGCSA-N -1 3 367.446 3.355 20 0 FGADHM CC[C@H](C)CON=C([O-])Nc1ccn(-c2ncccc2C(F)(F)F)n1 ZINC000292660485 498097806 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FGADHM CCOc1ccncc1S(=O)(=O)[N-]C[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000331338518 498305126 /nfs/dbraw/zinc/30/51/26/498305126.db2.gz RJKKQKOZGOJZAC-NWDGAFQWSA-N -1 3 366.405 3.127 20 0 FGADHM CO[C@@H](C)CS(=O)(=O)[N-]c1c(F)cc(Br)cc1Cl ZINC000331347874 498306531 /nfs/dbraw/zinc/30/65/31/498306531.db2.gz WWFSSOMCRKULGW-LURJTMIESA-N -1 3 360.632 3.018 20 0 FGADHM CC(=O)N(c1ccc(NC(=O)[N-]OCCC(F)(F)F)cc1)[C@H]1C[C@H]1C ZINC000297168879 498342435 /nfs/dbraw/zinc/34/24/35/498342435.db2.gz TUMYOTDOTDQTDF-YGRLFVJLSA-N -1 3 359.348 3.453 20 0 FGADHM CC(C)(C)Oc1ccc(C(=O)[N-]c2nnc(CC(F)(F)F)s2)nc1 ZINC000293318952 498345585 /nfs/dbraw/zinc/34/55/85/498345585.db2.gz JVFFERGAYHUEDX-UHFFFAOYSA-N -1 3 360.361 3.468 20 0 FGADHM COC(=O)c1ccc(C(=O)Nc2ccccc2NC(=O)C[C@@H]2C=CCC2)[n-]1 ZINC000293370495 498362396 /nfs/dbraw/zinc/36/23/96/498362396.db2.gz KPPDJXHNMTZOPB-CYBMUJFWSA-N -1 3 367.405 3.348 20 0 FGADHM Cc1ccc2c(ncc(C(=O)[O-])c2N2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)c1C ZINC000569814231 506023156 /nfs/dbraw/zinc/02/31/56/506023156.db2.gz UKDLCNSXARFWSU-YHQOMNDMSA-N -1 3 370.449 3.323 20 0 FGADHM c1cc2c(cc1-c1nc(Sc3nc(C4CC4)ns3)n[n-]1)OCCO2 ZINC000302033253 498376972 /nfs/dbraw/zinc/37/69/72/498376972.db2.gz OCIVAVOJYHVSCV-UHFFFAOYSA-N -1 3 359.436 3.123 20 0 FGADHM CC1(C)CC[C@H](NC(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)C1 ZINC000331596859 498386978 /nfs/dbraw/zinc/38/69/78/498386978.db2.gz HYZNEWOKTMRYLL-HNNXBMFYSA-N -1 3 359.470 3.331 20 0 FGADHM CC[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2 ZINC000578828123 506029643 /nfs/dbraw/zinc/02/96/43/506029643.db2.gz MHCBPIHKOHJJPF-ZWNOBZJWSA-N -1 3 356.875 3.082 20 0 FGADHM Cc1ccc([C@@H]2CCCCN2C(=O)N=c2cc(OC(F)F)n(C)[n-]2)o1 ZINC000331679670 498418568 /nfs/dbraw/zinc/41/85/68/498418568.db2.gz VWIHFMAHLGEMIH-NSHDSACASA-N -1 3 354.357 3.104 20 0 FGADHM CCc1nc([N-]C(=O)c2scnc2C(F)(F)F)sc1C(=O)OC ZINC000293612278 498428376 /nfs/dbraw/zinc/42/83/76/498428376.db2.gz DCNCESISIWDWSX-UHFFFAOYSA-N -1 3 365.358 3.220 20 0 FGADHM CCc1cc(C(=O)Nc2ccc(F)c(N3CCCNC3=O)c2)ccc1[O-] ZINC000293625555 498432106 /nfs/dbraw/zinc/43/21/06/498432106.db2.gz ZCSWWZDOFZOTIN-UHFFFAOYSA-N -1 3 357.385 3.266 20 0 FGADHM Cc1ccccc1[C@H]([C@@H](C)N=c1[n-]nc(-c2ccccn2)s1)N(C)C ZINC000569881518 506037514 /nfs/dbraw/zinc/03/75/14/506037514.db2.gz DRSAWLOKJHSUDX-PBHICJAKSA-N -1 3 353.495 3.434 20 0 FGADHM Cc1cc([N-]C(=O)[C@@H](C)N2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)on1 ZINC000362138331 498468871 /nfs/dbraw/zinc/46/88/71/498468871.db2.gz RGLRDMHQDRMJDH-CHWSQXEVSA-N -1 3 372.400 3.470 20 0 FGADHM CCOCc1nc([C@H](C)NCc2cc(Cl)c([O-])c(OCC)c2)no1 ZINC000297547745 498489113 /nfs/dbraw/zinc/48/91/13/498489113.db2.gz ZHEZBMXKSWUSMI-JTQLQIEISA-N -1 3 355.822 3.215 20 0 FGADHM O=C(N[C@@H]1CCN(c2ccccc2Cl)C1=O)c1cc([O-])ccc1Cl ZINC000365483632 498490911 /nfs/dbraw/zinc/49/09/11/498490911.db2.gz ZATFSAGOKVIWOQ-CQSZACIVSA-N -1 3 365.216 3.234 20 0 FGADHM CC(C)(C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1)C1CCCC1 ZINC000331903224 498493842 /nfs/dbraw/zinc/49/38/42/498493842.db2.gz KQUQHNHOKHROEM-UHFFFAOYSA-N -1 3 358.482 3.329 20 0 FGADHM CSc1ccccc1[C@H](C)[N-]S(=O)(=O)c1c(C)nn(C)c1Cl ZINC000282395899 498494835 /nfs/dbraw/zinc/49/48/35/498494835.db2.gz DGEOHZYKNBFDJD-VIFPVBQESA-N -1 3 359.904 3.143 20 0 FGADHM O=C(c1cc([O-])ccc1Cl)N1CCOC[C@H]1C[C@@H](O)c1cccs1 ZINC000290314204 498506449 /nfs/dbraw/zinc/50/64/49/498506449.db2.gz GIVPIXJNKCNCHQ-IAQYHMDHSA-N -1 3 367.854 3.072 20 0 FGADHM CCc1ccc(CCC(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)cc1 ZINC000290329289 498510819 /nfs/dbraw/zinc/51/08/19/498510819.db2.gz JIQATWIVBQYYFN-INIZCTEOSA-N -1 3 370.415 3.099 20 0 FGADHM COc1cccc2c1ncc(C)c2NCCNC(=O)c1ccc([O-])cc1 ZINC000302661929 498525724 /nfs/dbraw/zinc/52/57/24/498525724.db2.gz PGCBZBRKLSMRPW-UHFFFAOYSA-N -1 3 351.406 3.099 20 0 FGADHM CSc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3ccccn3)C2)c([O-])c1 ZINC000365547064 498526348 /nfs/dbraw/zinc/52/63/48/498526348.db2.gz NDUTXQUEPSYAPD-ZDUSSCGKSA-N -1 3 371.462 3.000 20 0 FGADHM Cc1ccc(-c2cnc(C[N-]S(=O)(=O)CCc3cccs3)o2)cc1 ZINC000365551532 498528639 /nfs/dbraw/zinc/52/86/39/498528639.db2.gz HMYPNIWNSIAGGB-UHFFFAOYSA-N -1 3 362.476 3.374 20 0 FGADHM CC[C@@H]1CCN1C(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000293939102 498539753 /nfs/dbraw/zinc/53/97/53/498539753.db2.gz IEMWRFMTLAKXNA-GFCCVEGCSA-N -1 3 358.891 3.041 20 0 FGADHM Cc1cccc(C(C)C)c1NC(=O)N1CCC[C@@H]1C[C@]1(C)NC(=O)[N-]C1=O ZINC000286891223 498542387 /nfs/dbraw/zinc/54/23/87/498542387.db2.gz IYHRAIZDUWGRQN-VLIAUNLRSA-N -1 3 372.469 3.103 20 0 FGADHM O=C(c1cc(F)cc2[n-]nnc21)N1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000282543753 498552216 /nfs/dbraw/zinc/55/22/16/498552216.db2.gz RRJFBESZEBIZIG-LBPRGKRZSA-N -1 3 356.323 3.292 20 0 FGADHM O=C(c1cc(F)cc2nn[n-]c21)N1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000282543753 498552221 /nfs/dbraw/zinc/55/22/21/498552221.db2.gz RRJFBESZEBIZIG-LBPRGKRZSA-N -1 3 356.323 3.292 20 0 FGADHM O=C(c1cc(F)cc2n[n-]nc21)N1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000282543753 498552228 /nfs/dbraw/zinc/55/22/28/498552228.db2.gz RRJFBESZEBIZIG-LBPRGKRZSA-N -1 3 356.323 3.292 20 0 FGADHM Cc1ncc(C(=O)NCc2ccc([O-])c(Br)c2)c(C2CC2)n1 ZINC000282549608 498554992 /nfs/dbraw/zinc/55/49/92/498554992.db2.gz AMFFTZQTWQIHJS-UHFFFAOYSA-N -1 3 362.227 3.061 20 0 FGADHM O=C(/C=C/c1ccc(Cl)cc1)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000290460144 498560785 /nfs/dbraw/zinc/56/07/85/498560785.db2.gz VFDNYEXFLXGYLP-LJLILKBBSA-N -1 3 374.790 3.270 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F)c1ccc(Cl)cc1 ZINC000294019930 498564277 /nfs/dbraw/zinc/56/42/77/498564277.db2.gz KQQPNBSMNIPTSL-QMMMGPOBSA-N -1 3 367.780 3.132 20 0 FGADHM Cc1cc([N-]C(=O)[C@@H](C)N2CCc3ccc(Br)cc3C2)on1 ZINC000332127839 498572200 /nfs/dbraw/zinc/57/22/00/498572200.db2.gz MWTDMXJLUSFDQK-LLVKDONJSA-N -1 3 364.243 3.131 20 0 FGADHM COc1ccc([O-])c(C(=O)NCc2nnc(-c3ccc(Cl)cc3)o2)c1 ZINC000365664169 498586306 /nfs/dbraw/zinc/58/63/06/498586306.db2.gz FDJQOWOJBCLZJO-UHFFFAOYSA-N -1 3 359.769 3.034 20 0 FGADHM O=C(CC1CCCC1)N1CCCN(Cc2nc3ccsc3c(=O)[n-]2)CC1 ZINC000362965366 498590602 /nfs/dbraw/zinc/59/06/02/498590602.db2.gz WHDHOSFNJVNCJK-UHFFFAOYSA-N -1 3 374.510 3.012 20 0 FGADHM O=C(c1c[n-]c2ccccc2c1=O)N1CCCN2c3ccccc3C[C@H]2C1 ZINC000290554155 498594960 /nfs/dbraw/zinc/59/49/60/498594960.db2.gz MRPQZBGMXUDHHC-INIZCTEOSA-N -1 3 359.429 3.218 20 0 FGADHM Cc1nc(C)c(CCC(=O)N2C[C@@H]3CCCCN3c3ccccc32)c(=O)[n-]1 ZINC000297888345 498598900 /nfs/dbraw/zinc/59/89/00/498598900.db2.gz VQGJLTLMFWXCLZ-INIZCTEOSA-N -1 3 366.465 3.137 20 0 FGADHM CC(C)(C)C(=O)c1ccsc1[N-]C(=O)c1cc(Cn2cccn2)on1 ZINC000297907127 498605538 /nfs/dbraw/zinc/60/55/38/498605538.db2.gz YRCLZVYNUGOJJI-UHFFFAOYSA-N -1 3 358.423 3.462 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H](c3nc(C)c(C)s3)C2)c1 ZINC000332241666 498615243 /nfs/dbraw/zinc/61/52/43/498615243.db2.gz AKUXHLCIXVWZKI-CQSZACIVSA-N -1 3 373.478 3.444 20 0 FGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1cccc(NCC(F)(F)F)c1 ZINC000576042322 506062739 /nfs/dbraw/zinc/06/27/39/506062739.db2.gz IIVRLIWHZVQEPX-UHFFFAOYSA-N -1 3 372.372 3.439 20 0 FGADHM O=S(=O)([N-]Cc1cnc(C2CC2)o1)c1ccc(C(F)(F)F)s1 ZINC000572830709 506063130 /nfs/dbraw/zinc/06/31/30/506063130.db2.gz YNIHTGHIIUGIJK-UHFFFAOYSA-N -1 3 352.359 3.111 20 0 FGADHM O=S(=O)(C[C@H]1CCCC1(F)F)[N-]Cc1ncoc1-c1ccccc1 ZINC000581767501 506063845 /nfs/dbraw/zinc/06/38/45/506063845.db2.gz GIAYALSHMUHSRB-CYBMUJFWSA-N -1 3 356.394 3.196 20 0 FGADHM COc1cccc(C(=O)NCCc2cc(Br)ccc2F)c1[O-] ZINC000302954192 498632774 /nfs/dbraw/zinc/63/27/74/498632774.db2.gz BAHNGNLDBXIWQK-UHFFFAOYSA-N -1 3 368.202 3.275 20 0 FGADHM Cn1cnc(C(=O)[N-]c2ccccc2SC[C@@H]2CC2(Cl)Cl)n1 ZINC000290659479 498635971 /nfs/dbraw/zinc/63/59/71/498635971.db2.gz GDOOSUCBEJMGJU-VIFPVBQESA-N -1 3 357.266 3.353 20 0 FGADHM O=C(c1cccc([N-]S(=O)(=O)[C@@H]2C[C@H]2c2ccccc2)c1)N1CCCC1 ZINC000578976610 506066241 /nfs/dbraw/zinc/06/62/41/506066241.db2.gz SPNGZWYLSQFLPD-RBUKOAKNSA-N -1 3 370.474 3.220 20 0 FGADHM C[C@H]1CC([N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)F)C[C@H](C)O1 ZINC000578989859 506068523 /nfs/dbraw/zinc/06/85/23/506068523.db2.gz VXBGHDBHQNYKKH-IUCAKERBSA-N -1 3 369.817 3.176 20 0 FGADHM O=C([N-]c1nnc(C2CCOCC2)s1)c1ccc(-c2cc[nH]n2)s1 ZINC000294336270 498660866 /nfs/dbraw/zinc/66/08/66/498660866.db2.gz QASOGDZRAAXKTD-UHFFFAOYSA-N -1 3 361.452 3.136 20 0 FGADHM Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc([N-]S(C)(=O)=O)cc1)CCC2 ZINC000332376240 498667854 /nfs/dbraw/zinc/66/78/54/498667854.db2.gz TZRXPPGHQSOHKQ-SFHVURJKSA-N -1 3 358.463 3.174 20 0 FGADHM Cc1c([C@@H]2CCCN2Cc2cc(=O)oc3c(C)c([O-])ccc23)cnn1C ZINC000363151912 498675593 /nfs/dbraw/zinc/67/55/93/498675593.db2.gz NYCGJGJFKRFYKV-KRWDZBQOSA-N -1 3 353.422 3.186 20 0 FGADHM CCN1CCO[C@@H](CNC(=O)c2cc([O-])ccc2Cl)[C@@H]1c1ccccc1 ZINC000290783419 498677200 /nfs/dbraw/zinc/67/72/00/498677200.db2.gz DBAKIQVSDUCQMY-OALUTQOASA-N -1 3 374.868 3.237 20 0 FGADHM CC(C)(C)C1CCC(O)(CNC(=O)c2c[n-]c3ccccc3c2=O)CC1 ZINC000332450439 498691886 /nfs/dbraw/zinc/69/18/86/498691886.db2.gz FELAVJULIVIZKO-UHFFFAOYSA-N -1 3 356.466 3.225 20 0 FGADHM Cc1ccc([O-])c(C(=O)N[C@@H]2CCN(c3ccccc3OC(F)F)C2)c1 ZINC000303671888 498703175 /nfs/dbraw/zinc/70/31/75/498703175.db2.gz PHPHLPLYHUAQJS-CYBMUJFWSA-N -1 3 362.376 3.311 20 0 FGADHM CCN(CCNC(=O)c1cc(Br)cc(Cl)c1[O-])C1CC1 ZINC000303826502 498719377 /nfs/dbraw/zinc/71/93/77/498719377.db2.gz GMFDICGBRIBZPN-UHFFFAOYSA-N -1 3 361.667 3.022 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CN(CC(F)F)C3)cc1 ZINC000290922788 498724427 /nfs/dbraw/zinc/72/44/27/498724427.db2.gz INRXLSLFFLDPBT-UHFFFAOYSA-N -1 3 368.405 3.077 20 0 FGADHM CC(C)(C)C(=O)N[C@H]1CCCN(C(=O)c2ccc3c(c2[O-])CCCC3)C1 ZINC000332562096 498726222 /nfs/dbraw/zinc/72/62/22/498726222.db2.gz XELQDTXZBDVSPG-HNNXBMFYSA-N -1 3 358.482 3.038 20 0 FGADHM CC(C)(CN=c1[n-]nc(-c2ccccn2)s1)N1CCc2ccccc2C1 ZINC000581905109 506086425 /nfs/dbraw/zinc/08/64/25/506086425.db2.gz RHHNNKSVCXLFDZ-UHFFFAOYSA-N -1 3 365.506 3.271 20 0 FGADHM Cc1cccc(S(=O)(=O)[N-][C@@H]2CC(C)(C)Oc3ccc(N)cc32)c1F ZINC000313217552 498766177 /nfs/dbraw/zinc/76/61/77/498766177.db2.gz MMPZYBTYQLKPTQ-CQSZACIVSA-N -1 3 364.442 3.297 20 0 FGADHM CCc1cc(=O)[n-]c(CN2CCC3(C[C@H]3c3nnc(C(C)C)o3)CC2)n1 ZINC000366101058 498776311 /nfs/dbraw/zinc/77/63/11/498776311.db2.gz CMYPQVVTCSVIPD-AWEZNQCLSA-N -1 3 357.458 3.021 20 0 FGADHM COC(=O)c1cccc(Cl)c1S(=O)(=O)[N-]c1c(F)cccc1F ZINC000570110951 506093328 /nfs/dbraw/zinc/09/33/28/506093328.db2.gz GCIXTLLUYDABSF-UHFFFAOYSA-N -1 3 361.753 3.206 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@H]1CCCCC12CCCC2 ZINC000332867490 498819016 /nfs/dbraw/zinc/81/90/16/498819016.db2.gz KJIGVDHQSHKXAA-KGLIPLIRSA-N -1 3 370.540 3.034 20 0 FGADHM O=S(=O)([N-][C@H](c1nccs1)c1ccccc1)c1cncc(Cl)c1 ZINC000363446113 498825294 /nfs/dbraw/zinc/82/52/94/498825294.db2.gz GJJZOJOSWFPBNN-AWEZNQCLSA-N -1 3 365.867 3.259 20 0 FGADHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-][C@H](C)c1ccccc1Cl ZINC000570130446 506096956 /nfs/dbraw/zinc/09/69/56/506096956.db2.gz OJYIJQLJKVYIOF-SECBINFHSA-N -1 3 371.842 3.376 20 0 FGADHM Cc1cccc2c(=O)c(C(=O)N3CCCN4c5ccccc5C[C@@H]4C3)c[n-]c12 ZINC000332898595 498827779 /nfs/dbraw/zinc/82/77/79/498827779.db2.gz SPEQEWQUYURKDC-QGZVFWFLSA-N -1 3 373.456 3.114 20 0 FGADHM COc1ccc(C[C@@H](C)c2nc(-c3ccc4n[n-]nc4c3)no2)cc1OC ZINC000581947220 506097541 /nfs/dbraw/zinc/09/75/41/506097541.db2.gz RFBAJTSDACUNRF-LLVKDONJSA-N -1 3 365.393 3.371 20 0 FGADHM CCCCS(=O)(=O)[N-]Cc1nc([C@@H](c2ccc(C)cc2)C(C)C)no1 ZINC000579161206 506106892 /nfs/dbraw/zinc/10/68/92/506106892.db2.gz ASAQMSKOIYWEGQ-QGZVFWFLSA-N -1 3 365.499 3.385 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)c1-c1ccncc1 ZINC000366260448 498847305 /nfs/dbraw/zinc/84/73/05/498847305.db2.gz YBPJZKLSKWAEEH-DZGCQCFKSA-N -1 3 354.360 3.222 20 0 FGADHM O=C([O-])c1cnc2ccccc2c1N1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000327768677 498862507 /nfs/dbraw/zinc/86/25/07/498862507.db2.gz RVXZQAZRLDNNPC-INIZCTEOSA-N -1 3 354.328 3.217 20 0 FGADHM C[C@H]1CCC[C@]1(O)C[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000328059769 498864938 /nfs/dbraw/zinc/86/49/38/498864938.db2.gz BAZVDZAYPWBJLH-ZANVPECISA-N -1 3 371.808 3.188 20 0 FGADHM O=S(=O)([N-]Cc1ccc(F)cc1)c1c(F)cccc1OC(F)(F)F ZINC000579145987 506103968 /nfs/dbraw/zinc/10/39/68/506103968.db2.gz QFXVKBGDDMOWST-UHFFFAOYSA-N -1 3 367.295 3.342 20 0 FGADHM Cc1cc(C2CCN(C(=O)c3ccc4c(c3[O-])OC(C)(C)C4)CC2)[nH]n1 ZINC000333034761 498876214 /nfs/dbraw/zinc/87/62/14/498876214.db2.gz IIBASSCAVHNBAG-UHFFFAOYSA-N -1 3 355.438 3.157 20 0 FGADHM Cc1cc(CN2CCN(Cc3cc([O-])cc(C(F)(F)F)c3)CC2)no1 ZINC000573051260 506105617 /nfs/dbraw/zinc/10/56/17/506105617.db2.gz IBRMQZDMDRZDJB-UHFFFAOYSA-N -1 3 355.360 3.025 20 0 FGADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CCC2(C1)Oc1ccccc1O2 ZINC000333071589 498890856 /nfs/dbraw/zinc/89/08/56/498890856.db2.gz OVKWVGJSOWSIDN-UHFFFAOYSA-N -1 3 351.402 3.285 20 0 FGADHM O=S(=O)([N-][C@@H]1CCO[C@H](c2ccccc2)C1)c1cnc(Cl)c(F)c1 ZINC000287946938 498909529 /nfs/dbraw/zinc/90/95/29/498909529.db2.gz WGWNEOKRGYNQQF-DOMZBBRYSA-N -1 3 370.833 3.073 20 0 FGADHM COC[C@H]([N-]S(=O)(=O)C1CCC(C(F)(F)F)CC1)c1ccco1 ZINC000295155159 498927408 /nfs/dbraw/zinc/92/74/08/498927408.db2.gz DQEKCVVZOAAYHM-MCIGGMRASA-N -1 3 355.378 3.008 20 0 FGADHM C[C@@H]1C[C@@H](N=c2[n-]nc(-c3ccon3)s2)CCN1Cc1ccccc1 ZINC000573078092 506113166 /nfs/dbraw/zinc/11/31/66/506113166.db2.gz WXNMYQCPSISYGZ-HIFRSBDPSA-N -1 3 355.467 3.080 20 0 FGADHM O=S(=O)([N-]CCc1ccc(Cl)cc1)c1cccnc1C(F)(F)F ZINC000582020357 506113912 /nfs/dbraw/zinc/11/39/12/506113912.db2.gz GUEYREZODUOWSJ-UHFFFAOYSA-N -1 3 364.776 3.275 20 0 FGADHM Cc1csc([C@H]([N-]S(=O)(=O)c2ccc(C)cc2)C(F)(F)F)n1 ZINC000295205841 498942626 /nfs/dbraw/zinc/94/26/26/498942626.db2.gz OGAOMILDNQFVHB-NSHDSACASA-N -1 3 350.387 3.342 20 0 FGADHM Cc1nc(-c2ccc(NC(=O)N(C)C[C@@H]3CCCCO3)cc2)cc(=O)[n-]1 ZINC000328815085 498947669 /nfs/dbraw/zinc/94/76/69/498947669.db2.gz GHGQKEJGAZVKRL-INIZCTEOSA-N -1 3 356.426 3.190 20 0 FGADHM Cc1ncc(CNC(=O)N[C@H]2CC[C@@H](c3cccc(Cl)c3)C2)c(=O)[n-]1 ZINC000579203211 506117495 /nfs/dbraw/zinc/11/74/95/506117495.db2.gz ICQMACVZZWZQLO-CJNGLKHVSA-N -1 3 360.845 3.280 20 0 FGADHM COCCOC1CCN(C(=O)CCc2ccc3ccccc3c2[O-])CC1 ZINC000295293385 498968718 /nfs/dbraw/zinc/96/87/18/498968718.db2.gz QKQAOVDBLRBGST-UHFFFAOYSA-N -1 3 357.450 3.132 20 0 FGADHM COCCCN(C(=O)c1ccc2ccccc2c1[O-])C1CCN(C)CC1 ZINC000291522755 498976973 /nfs/dbraw/zinc/97/69/73/498976973.db2.gz YLFBMRWKBKOPCP-UHFFFAOYSA-N -1 3 356.466 3.118 20 0 FGADHM C[C@@H]([N-]C(=O)C(=O)Nc1ccc(Cl)cc1C(F)(F)F)C(F)(F)F ZINC000288250811 498977233 /nfs/dbraw/zinc/97/72/33/498977233.db2.gz BQBFKJJSGSHNQE-RXMQYKEDSA-N -1 3 362.657 3.364 20 0 FGADHM O=S(=O)([N-][C@@H]1CCC[C@@H]2OCC[C@@H]21)c1ccc(C(F)(F)F)cc1F ZINC000333320759 498978299 /nfs/dbraw/zinc/97/82/99/498978299.db2.gz LCOFAMLULVJTJN-RTXFEEFZSA-N -1 3 367.364 3.080 20 0 FGADHM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1ccc2c(c1)CN(C)C(=O)N2 ZINC000366572741 498983998 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Cc1ccc(C)c([C@@H]2CN(C(=O)c3cc(F)cc4nn[n-]c43)[C@H](C)CO2)c1 ZINC000333481322 499014136 /nfs/dbraw/zinc/01/41/36/499014136.db2.gz SKDOMKPKKFLTEZ-ACJLOTCBSA-N -1 3 368.412 3.316 20 0 FGADHM Cc1ccc(C)c([C@@H]2CN(C(=O)c3cc(F)cc4n[n-]nc43)[C@H](C)CO2)c1 ZINC000333481322 499014137 /nfs/dbraw/zinc/01/41/37/499014137.db2.gz SKDOMKPKKFLTEZ-ACJLOTCBSA-N -1 3 368.412 3.316 20 0 FGADHM CC[C@@H](COCC(F)(F)F)NC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000295492404 499033261 /nfs/dbraw/zinc/03/32/61/499033261.db2.gz SHXTWSGTQKOFSK-QMMMGPOBSA-N -1 3 359.266 3.498 20 0 FGADHM C[C@]1(C[C@H]2CCCN2C(=O)C2C3CC4CC(C3)CC2C4)NC(=O)[N-]C1=O ZINC000329180546 499064509 /nfs/dbraw/zinc/06/45/09/499064509.db2.gz DMXYRDASGADOCY-IUHOTOBDSA-N -1 3 359.470 3.083 20 0 FGADHM C[C@@H]1CCN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)C[C@H]1n1ccnc1 ZINC000329188328 499066420 /nfs/dbraw/zinc/06/64/20/499066420.db2.gz PHWSPJOCXGBJAR-UKRRQHHQSA-N -1 3 363.421 3.361 20 0 FGADHM Cn1ncc2c1ncc(C(=O)N1CC[C@](F)(c3ccccc3Cl)C1)c2[O-] ZINC000367305165 499177010 /nfs/dbraw/zinc/17/70/10/499177010.db2.gz KTJCZLIURLNYLH-GOSISDBHSA-N -1 3 374.803 3.038 20 0 FGADHM CN(C(=O)c1cc(-c2ccco2)n[n-]1)c1nnc(-c2ccccc2)s1 ZINC000370139306 499186847 /nfs/dbraw/zinc/18/68/47/499186847.db2.gz WAMCBPREQHKRQQ-UHFFFAOYSA-N -1 3 351.391 3.465 20 0 FGADHM CN(C(=O)c1cc(-c2ccco2)[n-]n1)c1nnc(-c2ccccc2)s1 ZINC000370139306 499186850 /nfs/dbraw/zinc/18/68/50/499186850.db2.gz WAMCBPREQHKRQQ-UHFFFAOYSA-N -1 3 351.391 3.465 20 0 FGADHM O=C(c1cc(OCc2ccccc2)ccc1[O-])N1CCCC[C@H](CO)C1 ZINC000367536032 499210247 /nfs/dbraw/zinc/21/02/47/499210247.db2.gz OOWMIKRXUGSJIF-KRWDZBQOSA-N -1 3 355.434 3.206 20 0 FGADHM C/C(=C\C(=O)NC1CCN(C(=O)c2cccc([O-])c2)CC1)c1ccccc1 ZINC000370722097 499248243 /nfs/dbraw/zinc/24/82/43/499248243.db2.gz LPRDYVYWHHSURZ-JQIJEIRASA-N -1 3 364.445 3.217 20 0 FGADHM CON(C(=O)c1c[n-]c2ccccc2c1=O)[C@H]1CCCOc2ccccc21 ZINC000370727510 499248872 /nfs/dbraw/zinc/24/88/72/499248872.db2.gz ZBHWSHZSKOTQDK-SFHVURJKSA-N -1 3 364.401 3.446 20 0 FGADHM CON(C(=O)c1cnc2ccccc2c1[O-])[C@H]1CCCOc2ccccc21 ZINC000370727510 499248873 /nfs/dbraw/zinc/24/88/73/499248873.db2.gz ZBHWSHZSKOTQDK-SFHVURJKSA-N -1 3 364.401 3.446 20 0 FGADHM Cc1c(-c2ccncc2)[n-][nH]c1=NC(=O)[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000368225521 499275668 /nfs/dbraw/zinc/27/56/68/499275668.db2.gz XIBLVYLZDGWSIQ-IEBWSBKVSA-N -1 3 362.433 3.308 20 0 FGADHM CCc1cc(C(=O)N[C@@H](c2noc(C)n2)c2ccccc2F)ccc1[O-] ZINC000368276986 499280861 /nfs/dbraw/zinc/28/08/61/499280861.db2.gz PCKGCZWGYDFZPI-QGZVFWFLSA-N -1 3 355.369 3.305 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H]3CCCc4nn(C)cc43)nc2)n1 ZINC000368486139 499300907 /nfs/dbraw/zinc/30/09/07/499300907.db2.gz BFEUEXUUUMVNSF-HNNXBMFYSA-N -1 3 350.426 3.030 20 0 FGADHM Cc1nc(C)c(CCC(=O)N2CC=C(c3c(F)cccc3F)CC2)c(=O)[n-]1 ZINC000368679257 499321634 /nfs/dbraw/zinc/32/16/34/499321634.db2.gz XLQNXOBAUZLXQS-UHFFFAOYSA-N -1 3 373.403 3.326 20 0 FGADHM CSc1ccc(C(=O)N2CCC(NC(=O)c3ccccc3)CC2)c([O-])c1 ZINC000368911768 499345719 /nfs/dbraw/zinc/34/57/19/499345719.db2.gz BBJOQMJUZFFEIJ-UHFFFAOYSA-N -1 3 370.474 3.149 20 0 FGADHM CCC(=O)N1CCC[C@@H]1[C@H]1CCCN1C(=O)c1ccc(SC)cc1[O-] ZINC000368939108 499348870 /nfs/dbraw/zinc/34/88/70/499348870.db2.gz ALCUKNSTPZXNBZ-HZPDHXFCSA-N -1 3 362.495 3.120 20 0 FGADHM O=C(CCCc1cccs1)NC1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000372026449 499391076 /nfs/dbraw/zinc/39/10/76/499391076.db2.gz QCOWRRBYYFNNJU-UHFFFAOYSA-N -1 3 372.490 3.197 20 0 FGADHM CCOc1cc(-c2noc([C@@H]3CCCN(c4ncccn4)C3)n2)ccc1[O-] ZINC000373213429 499457745 /nfs/dbraw/zinc/45/77/45/499457745.db2.gz AKPPRXLNCUFBAM-CQSZACIVSA-N -1 3 367.409 3.015 20 0 FGADHM CCOc1cc(-c2noc(C[C@@H]3C(=O)Nc4ccccc43)n2)ccc1[O-] ZINC000373222446 499458265 /nfs/dbraw/zinc/45/82/65/499458265.db2.gz SGLNROKEUZLDEN-ZDUSSCGKSA-N -1 3 351.362 3.119 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC[C@@H](OCC4CC4)C3)nc2)n1 ZINC000373593560 499478725 /nfs/dbraw/zinc/47/87/25/499478725.db2.gz CXGJDPDDKZYTFB-QGZVFWFLSA-N -1 3 354.454 3.202 20 0 FGADHM CS(=O)(=O)[N-]c1cc(C(=O)N2CCC=C(c3ccccc3)C2)ccc1F ZINC000375373901 499511684 /nfs/dbraw/zinc/51/16/84/499511684.db2.gz RCESVIZAICOPCV-UHFFFAOYSA-N -1 3 374.437 3.127 20 0 FGADHM CC(=O)N1Cc2ccc([N-]S(=O)(=O)c3ccc(OC(C)C)cc3)cc2C1 ZINC000378407793 499513144 /nfs/dbraw/zinc/51/31/44/499513144.db2.gz XSIGGCRODKULBO-UHFFFAOYSA-N -1 3 374.462 3.137 20 0 FGADHM O=C(Nc1ccccc1SC(F)(F)F)[C@H]1[N-]C(=O)C[C@@H]1C(F)(F)F ZINC000375428974 499517826 /nfs/dbraw/zinc/51/78/26/499517826.db2.gz WEUQTMUTKFFJRJ-WKEGUHRASA-N -1 3 372.290 3.304 20 0 FGADHM O=C(c1cc([O-])ccc1C(F)(F)F)N1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375539175 499530141 /nfs/dbraw/zinc/53/01/41/499530141.db2.gz IKHTWPVQZJDKAI-JTQLQIEISA-N -1 3 367.327 3.301 20 0 FGADHM COc1cc2c(cc1OC)[C@H](C)N(C(=O)c1csc(=O)[n-]1)C[C@@H](C)C2 ZINC000375625683 499538801 /nfs/dbraw/zinc/53/88/01/499538801.db2.gz DRVCCMANFOLHNB-QWRGUYRKSA-N -1 3 362.451 3.262 20 0 FGADHM O=C([N-]c1nnc(Cc2cccc(F)c2)s1)c1occ2c1CCOC2 ZINC000375629351 499539455 /nfs/dbraw/zinc/53/94/55/499539455.db2.gz HLKQEOCRLUJARZ-UHFFFAOYSA-N -1 3 359.382 3.186 20 0 FGADHM CCC[C@]1([N-]S(=O)(=O)c2cc(C)c(Br)s2)CCOC1 ZINC000378669352 499541413 /nfs/dbraw/zinc/54/14/13/499541413.db2.gz CGWBKJBEBBJQTH-LBPRGKRZSA-N -1 3 368.318 3.057 20 0 FGADHM CCCCOCC[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000381725429 499545352 /nfs/dbraw/zinc/54/53/52/499545352.db2.gz KQMBVMZFMBNUTQ-UHFFFAOYSA-N -1 3 370.696 3.198 20 0 FGADHM O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@@H]2CCCN(Cc3ccccc3)C2)n1 ZINC000383699372 499546990 /nfs/dbraw/zinc/54/69/90/499546990.db2.gz ARSJMPDTAJTQLP-HNNXBMFYSA-N -1 3 370.409 3.012 20 0 FGADHM CN(C(=O)c1cccc(C(=O)[O-])c1)C1CCN(Cc2ccccc2)CC1 ZINC000388890483 499551889 /nfs/dbraw/zinc/55/18/89/499551889.db2.gz FRXJCKPZESZKGQ-UHFFFAOYSA-N -1 3 352.434 3.121 20 0 FGADHM O=S(=O)([N-]C[C@H]1CCCC1(F)F)c1ccc(F)cc1Br ZINC000391033996 499556485 /nfs/dbraw/zinc/55/64/85/499556485.db2.gz OEGYOMFAJNSSNH-MRVPVSSYSA-N -1 3 372.206 3.302 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)c1c(C)csc1C(=O)OC)c1ccccc1 ZINC000391500134 499557029 /nfs/dbraw/zinc/55/70/29/499557029.db2.gz VQOKGOHCZWLMCY-ZDUSSCGKSA-N -1 3 353.465 3.273 20 0 FGADHM C[C@@H](C[N-]S(=O)(=O)c1cccc(Br)c1)CC(F)(F)F ZINC000396905439 499563570 /nfs/dbraw/zinc/56/35/70/499563570.db2.gz DSLIBKHBWLXMGZ-MRVPVSSYSA-N -1 3 360.195 3.316 20 0 FGADHM CCc1ccc([O-])c(C(=O)N2CCC(C(=O)N3CCC[C@H](C)C3)CC2)c1 ZINC000408075898 499575834 /nfs/dbraw/zinc/57/58/34/499575834.db2.gz YWNOLUOYBWDZDQ-HNNXBMFYSA-N -1 3 358.482 3.065 20 0 FGADHM CS(=O)(=O)[N-]c1ccc(C(=O)N[C@@H]2CC[C@H]3CCCC[C@H]3C2)cc1 ZINC000408118535 499577309 /nfs/dbraw/zinc/57/73/09/499577309.db2.gz SYNDTDOTKYHOED-UKPHBRMFSA-N -1 3 350.484 3.147 20 0 FGADHM CC(C)c1ccc(C(=O)N2CCC(C(=O)N3CCCCC3)CC2)c([O-])c1 ZINC000408410637 499587287 /nfs/dbraw/zinc/58/72/87/499587287.db2.gz VWYBRHDEGUEMDT-UHFFFAOYSA-N -1 3 358.482 3.380 20 0 FGADHM O=C(Nc1nnc(-c2c(F)cccc2F)[n-]1)[C@@H]1CCC(=O)c2ccccc21 ZINC000376676326 499627950 /nfs/dbraw/zinc/62/79/50/499627950.db2.gz ACCUIBNGQPVMJE-GFCCVEGCSA-N -1 3 368.343 3.449 20 0 FGADHM O=C(Nc1nc(-c2c(F)cccc2F)n[n-]1)[C@@H]1CCC(=O)c2ccccc21 ZINC000376676326 499627951 /nfs/dbraw/zinc/62/79/51/499627951.db2.gz ACCUIBNGQPVMJE-GFCCVEGCSA-N -1 3 368.343 3.449 20 0 FGADHM O=C(Nc1n[n-]c(-c2c(F)cccc2F)n1)[C@@H]1CCC(=O)c2ccccc21 ZINC000376676326 499627952 /nfs/dbraw/zinc/62/79/52/499627952.db2.gz ACCUIBNGQPVMJE-GFCCVEGCSA-N -1 3 368.343 3.449 20 0 FGADHM Cc1cc(Br)c([O-])c(NC(=O)[C@H]2CCCc3cn[nH]c32)c1 ZINC000376823347 499637747 /nfs/dbraw/zinc/63/77/47/499637747.db2.gz OTSBWGJVBBOLRN-JTQLQIEISA-N -1 3 350.216 3.245 20 0 FGADHM Cc1cc(C)cc(CS(=O)(=O)[N-][C@@H](c2nc(C3CC3)no2)C(C)C)c1 ZINC000410121270 499643261 /nfs/dbraw/zinc/64/32/61/499643261.db2.gz WGHZGPDJUUMEAJ-MRXNPFEDSA-N -1 3 363.483 3.381 20 0 FGADHM COC(=O)c1csc(S(=O)(=O)[N-]CCCc2cccc(Cl)c2)c1 ZINC000410128697 499643781 /nfs/dbraw/zinc/64/37/81/499643781.db2.gz UOKGDJAMKMPWFV-UHFFFAOYSA-N -1 3 373.883 3.099 20 0 FGADHM CC[C@H](Oc1ccccc1Cl)C(=O)[N-]c1nncn1-c1cccnc1 ZINC000377191417 499669355 /nfs/dbraw/zinc/66/93/55/499669355.db2.gz RLVUEHIHSVVHGS-AWEZNQCLSA-N -1 3 357.801 3.112 20 0 FGADHM CCOC(=O)CC(C)(C)CC(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000377297914 499677900 /nfs/dbraw/zinc/67/79/00/499677900.db2.gz FICFOFXWVJSMAP-UHFFFAOYSA-N -1 3 371.437 3.053 20 0 FGADHM O=C([N-]c1nccn1-c1ccccc1)C(=O)NCCCCC1CCCC1 ZINC000411274841 499720514 /nfs/dbraw/zinc/72/05/14/499720514.db2.gz XQHKYDWYJBNIET-UHFFFAOYSA-N -1 3 354.454 3.288 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)c2ccc3c(c2)SCC(=O)N3)c1-c1ccccc1 ZINC000377778876 499732199 /nfs/dbraw/zinc/73/21/99/499732199.db2.gz OPDWEWSNNKNTOP-UHFFFAOYSA-N -1 3 364.430 3.104 20 0 FGADHM CC[C@H]1CCCC[C@@H]1N(C)C(=O)C(=O)[N-]c1nccn1-c1ccccc1 ZINC000411423735 499738266 /nfs/dbraw/zinc/73/82/66/499738266.db2.gz YMWGZHKTIHAULR-RDJZCZTQSA-N -1 3 354.454 3.238 20 0 FGADHM C[C@@H](CC1CCCCC1)NC(=O)C(=O)[N-]c1nccn1-c1ccccc1 ZINC000411482320 499746014 /nfs/dbraw/zinc/74/60/14/499746014.db2.gz YXLPAFSAKPMNOK-HNNXBMFYSA-N -1 3 354.454 3.286 20 0 FGADHM Cc1c(C(=O)[N-]c2n[nH]c(-c3c(F)cccc3F)n2)oc2c1C(=O)CCC2 ZINC000377949256 499750373 /nfs/dbraw/zinc/75/03/73/499750373.db2.gz IIFHKXHMZZUITF-UHFFFAOYSA-N -1 3 372.331 3.423 20 0 FGADHM O=c1cc(C[S@@](=O)Cc2cccc(OC(F)F)c2)nc(C2CC2)[n-]1 ZINC000414250635 499771435 /nfs/dbraw/zinc/77/14/35/499771435.db2.gz RGRPKUMTSVOTHQ-DEOSSOPVSA-N -1 3 354.378 3.110 20 0 FGADHM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1ccc(OCCN(C)C)cc1 ZINC000414384821 499784518 /nfs/dbraw/zinc/78/45/18/499784518.db2.gz TWDSHUJWXYFXAZ-UHFFFAOYSA-N -1 3 368.886 3.390 20 0 FGADHM COC(C)(C)CS(=O)(=O)[N-]c1c(F)ccc(C)c1Br ZINC000414386486 499784988 /nfs/dbraw/zinc/78/49/88/499784988.db2.gz UMUXBVFFRMITHF-UHFFFAOYSA-N -1 3 354.241 3.063 20 0 FGADHM COC(=O)[C@@H](C)c1cccc([N-]S(=O)(=O)c2ccc(OC)cc2C)c1 ZINC000414399768 499786975 /nfs/dbraw/zinc/78/69/75/499786975.db2.gz VZUVAOCSOGSOER-ZDUSSCGKSA-N -1 3 363.435 3.081 20 0 FGADHM O=C(c1c[n-]c2c(Cl)cccc2c1=O)N1CCCC[C@@H]1c1ncc[nH]1 ZINC000411766839 499788297 /nfs/dbraw/zinc/78/82/97/499788297.db2.gz LPQLNNJIBQFBOF-CQSZACIVSA-N -1 3 356.813 3.272 20 0 FGADHM CC[C@H](CN[C@@H]1CCN([C@@H](C(=O)[O-])c2ccccc2)C1=O)c1ccccc1 ZINC000414649332 499817047 /nfs/dbraw/zinc/81/70/47/499817047.db2.gz DVOCNCIMECBPIL-NSISKUIASA-N -1 3 366.461 3.197 20 0 FGADHM C[C@H](CCN[C@@H]1CCN([C@H](C(=O)[O-])c2ccccc2)C1=O)c1ccccc1 ZINC000414658958 499817729 /nfs/dbraw/zinc/81/77/29/499817729.db2.gz NNPYIEQNIDZYAY-AHRSYUTCSA-N -1 3 366.461 3.197 20 0 FGADHM CC[C@H](Cc1ccccc1)N[C@H]1CCN([C@@H](C(=O)[O-])c2ccccc2)C1=O ZINC000414659670 499818024 /nfs/dbraw/zinc/81/80/24/499818024.db2.gz OGKDSAMXQUDALJ-HSALFYBXSA-N -1 3 366.461 3.024 20 0 FGADHM C[C@]1(C(=O)[O-])CCN(Cc2cc(Cl)ccc2OC[C@H]2CCCO2)C1 ZINC000414660247 499818160 /nfs/dbraw/zinc/81/81/60/499818160.db2.gz UYNZHCCEWCGFNQ-QAPCUYQASA-N -1 3 353.846 3.194 20 0 FGADHM CC(C)[C@H](C(=O)[O-])N1CC[C@@H](N[C@H](C)CCc2ccc(Cl)s2)C1=O ZINC000414665562 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ZIHJVWIVXPQRBO-FQEVSTJZSA-N -1 3 371.433 3.500 20 0 FGADHM O=C(c1c[n-]c2c(Cl)cccc2c1=O)N1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000412321325 499844824 /nfs/dbraw/zinc/84/48/24/499844824.db2.gz YHSKQLHXVLTWTO-CSMYWGQOSA-N -1 3 374.868 3.337 20 0 FGADHM CC(C)c1ccc([C@@H](N)CNC(=O)N=c2[n-]nc(-c3ccco3)s2)cc1 ZINC000414935231 499846073 /nfs/dbraw/zinc/84/60/73/499846073.db2.gz UZKPECXRUCPZGL-AWEZNQCLSA-N -1 3 371.466 3.165 20 0 FGADHM CC(C)[C@H](Oc1ccc(Cl)cc1)C(=O)N=c1[nH][n-]cc1Br ZINC000412342548 499846816 /nfs/dbraw/zinc/84/68/16/499846816.db2.gz UNGXGYHTMAUCGD-LBPRGKRZSA-N -1 3 372.650 3.290 20 0 FGADHM Cc1csc2ncnc(NC3CCN(C(=O)c4ccccc4[O-])CC3)c12 ZINC000413108970 499914978 /nfs/dbraw/zinc/91/49/78/499914978.db2.gz SEYPHTZWRYUOJH-UHFFFAOYSA-N -1 3 368.462 3.422 20 0 FGADHM CCO[C@@H](C)c1ncc(C(=O)[N-]c2cccc(F)c2S(C)(=O)=O)s1 ZINC000416012490 499940918 /nfs/dbraw/zinc/94/09/18/499940918.db2.gz APPHFFZVPALBLK-VIFPVBQESA-N -1 3 372.443 3.036 20 0 FGADHM CC[C@@H](CS(=O)(=O)[N-]c1cc(Br)ccc1Cl)OC ZINC000421154916 499974169 /nfs/dbraw/zinc/97/41/69/499974169.db2.gz NFASPRHEOLJMBP-VIFPVBQESA-N -1 3 356.669 3.269 20 0 FGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)[C@@H]2C[C@@]2(F)c2ccccc2)c1 ZINC000413513870 499977087 /nfs/dbraw/zinc/97/70/87/499977087.db2.gz JBDUSMXARRVZLU-KBXCAEBGSA-N -1 3 362.426 3.190 20 0 FGADHM CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1cccc(-c2ncc(C)o2)c1 ZINC000421161281 499978021 /nfs/dbraw/zinc/97/80/21/499978021.db2.gz WQHIOAJGLQSTIJ-INIZCTEOSA-N -1 3 352.456 3.453 20 0 FGADHM CC[C@@H](OC1CCCC1)C(=O)Nc1cc(C)ccc1[N-]S(C)(=O)=O ZINC000413518582 499978414 /nfs/dbraw/zinc/97/84/14/499978414.db2.gz NODVMHQWQOZISW-MRXNPFEDSA-N -1 3 354.472 3.043 20 0 FGADHM CSc1nsc([N-]C(=O)c2cnn(-c3ccncc3)c2C(F)F)n1 ZINC000429061577 499997003 /nfs/dbraw/zinc/99/70/03/499997003.db2.gz CRVXYAVWUSQIEI-UHFFFAOYSA-N -1 3 368.394 3.031 20 0 FGADHM CC[C@@H](CS(=O)(=O)[N-]c1cccc(Cl)c1Br)OC ZINC000421252492 500002878 /nfs/dbraw/zinc/00/28/78/500002878.db2.gz TZBDYLZNYKDCQI-QMMMGPOBSA-N -1 3 356.669 3.269 20 0 FGADHM CCOC(=O)c1nnsc1[N-]C(=O)COc1cc(C)c(Cl)c(C)c1 ZINC000429253848 500035407 /nfs/dbraw/zinc/03/54/07/500035407.db2.gz LOPYXMFUHZWDHQ-UHFFFAOYSA-N -1 3 369.830 3.003 20 0 FGADHM COc1cc(OC)c(S(=O)(=O)[N-]C[C@@H]2CCCC2(F)F)cc1Cl ZINC000416491877 500052392 /nfs/dbraw/zinc/05/23/92/500052392.db2.gz ALDIDIPWLSLSFU-VIFPVBQESA-N -1 3 369.817 3.071 20 0 FGADHM C[C@H](CCCc1cccnc1)[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000416539958 500059370 /nfs/dbraw/zinc/05/93/70/500059370.db2.gz SVYYNZWPXHUBRA-LLVKDONJSA-N -1 3 358.385 3.189 20 0 FGADHM CO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)C12CCC2 ZINC000416553085 500061415 /nfs/dbraw/zinc/06/14/15/500061415.db2.gz CIHPWMZLBFWKCN-RKDXNWHRSA-N -1 3 355.403 3.003 20 0 FGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@@H](C)c1ccn(C)n1 ZINC000416555330 500061831 /nfs/dbraw/zinc/06/18/31/500061831.db2.gz DYRODLVZGQCUAH-JTQLQIEISA-N -1 3 353.831 3.168 20 0 FGADHM CCC[C@@H]([N-]S(=O)(=O)c1ccc(CCNC(C)=O)s1)C1CCCC1 ZINC000416574706 500065531 /nfs/dbraw/zinc/06/55/31/500065531.db2.gz ZCRBVJYGZUZQIH-MRXNPFEDSA-N -1 3 372.556 3.064 20 0 FGADHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cccc(Br)c2Cl)CS1 ZINC000416582098 500066062 /nfs/dbraw/zinc/06/60/62/500066062.db2.gz GFJYXUKPTXRXIR-SFYZADRCSA-N -1 3 370.721 3.275 20 0 FGADHM COCC[C@H](C)C[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000416595057 500069568 /nfs/dbraw/zinc/06/95/68/500069568.db2.gz XWWYGZIBBCFYBL-VIFPVBQESA-N -1 3 370.696 3.053 20 0 FGADHM CO[C@](C)([C@@H](C)[N-]S(=O)(=O)c1cccc(Cl)c1Cl)C1CC1 ZINC000416600127 500070151 /nfs/dbraw/zinc/07/01/51/500070151.db2.gz PSNJLFGQKYCMJG-YMTOWFKASA-N -1 3 352.283 3.475 20 0 FGADHM C[C@@H](C[N-]S(=O)(=O)c1ccc(OC(F)F)c(F)c1)CC(F)(F)F ZINC000416604322 500070873 /nfs/dbraw/zinc/07/08/73/500070873.db2.gz LJMDZLNUCMZZDG-SSDOTTSWSA-N -1 3 365.295 3.294 20 0 FGADHM CO[C@](C)([C@@H](C)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)C1CC1 ZINC000416602682 500071023 /nfs/dbraw/zinc/07/10/23/500071023.db2.gz RUHCMYBHMSJVKG-YMTOWFKASA-N -1 3 369.380 3.326 20 0 FGADHM COCCOc1c(Cl)cccc1NC(=O)c1cc(C(F)(F)F)n[n-]1 ZINC000570466732 506174180 /nfs/dbraw/zinc/17/41/80/506174180.db2.gz HLIGQZVPZBZYLN-UHFFFAOYSA-N -1 3 363.723 3.359 20 0 FGADHM COCCOc1c(Cl)cccc1NC(=O)c1cc(C(F)(F)F)[n-]n1 ZINC000570466732 506174182 /nfs/dbraw/zinc/17/41/82/506174182.db2.gz HLIGQZVPZBZYLN-UHFFFAOYSA-N -1 3 363.723 3.359 20 0 FGADHM CC(C)[C@H]([N-]S(=O)(=O)c1c[nH]c2nccc(Cl)c21)C(F)(F)F ZINC000416638041 500076741 /nfs/dbraw/zinc/07/67/41/500076741.db2.gz VOYBCXVGIPLOSM-JTQLQIEISA-N -1 3 355.769 3.082 20 0 FGADHM CSCc1cnc(CNC[C@H](Cc2cccc(C)c2)C(=O)[O-])s1 ZINC000417554661 500107231 /nfs/dbraw/zinc/10/72/31/500107231.db2.gz CSXRPGDXHPKAPI-AWEZNQCLSA-N -1 3 350.509 3.348 20 0 FGADHM COc1ccc(F)cc1CN[C@H](Cc1ccc(OC(F)F)cc1)C(=O)[O-] ZINC000417560172 500109701 /nfs/dbraw/zinc/10/97/01/500109701.db2.gz JVBQAWYRFJQCGY-OAHLLOKOSA-N -1 3 369.339 3.221 20 0 FGADHM Cc1ccccc1C[C@H](CNCc1ccc(Br)cn1)C(=O)[O-] ZINC000417566920 500111320 /nfs/dbraw/zinc/11/13/20/500111320.db2.gz NRAWJVWDZSJXSM-CQSZACIVSA-N -1 3 363.255 3.186 20 0 FGADHM CCCC[C@@H](C)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Br ZINC000421678701 500113899 /nfs/dbraw/zinc/11/38/99/500113899.db2.gz CNPPOVOQVIHHOZ-MRVPVSSYSA-N -1 3 356.186 3.395 20 0 FGADHM CC(C)[C@@]1(C)C[C@@H]1C(=O)N=c1[n-]n(CC(F)(F)F)cc1Br ZINC000421680342 500114873 /nfs/dbraw/zinc/11/48/73/500114873.db2.gz RAXSJFDECVQBER-PRHODGIISA-N -1 3 368.197 3.251 20 0 FGADHM Cc1ccc([C@H](C)N(C)C(=O)N=c2cc(OC(F)F)n(C)[n-]2)c(C)c1 ZINC000429643938 500117671 /nfs/dbraw/zinc/11/76/71/500117671.db2.gz GCXGELZZLKEFGP-LBPRGKRZSA-N -1 3 352.385 3.285 20 0 FGADHM CC[C@@H](NC(=O)N=c1cc(OC(F)F)n(C)[n-]1)C(C)(C)c1ccccc1 ZINC000429645163 500117724 /nfs/dbraw/zinc/11/77/24/500117724.db2.gz QRNDKEJIZRTEAD-CYBMUJFWSA-N -1 3 366.412 3.321 20 0 FGADHM CCOc1ccc(CN[C@H](CN2CCCc3ccccc32)C(=O)[O-])cc1F ZINC000417585272 500117962 /nfs/dbraw/zinc/11/79/62/500117962.db2.gz ZFNVKKPXYWKLDZ-GOSISDBHSA-N -1 3 372.440 3.220 20 0 FGADHM CC(C)[C@H](NC(=O)N=c1cc(OC(F)F)n(C)[n-]1)c1ccc(F)cc1F ZINC000429659027 500120146 /nfs/dbraw/zinc/12/01/46/500120146.db2.gz JGKKXHLPYHZSBL-AWEZNQCLSA-N -1 3 374.338 3.240 20 0 FGADHM C[C@@H](C(=O)[O-])[C@H](C)NCc1cc(Br)ccc1OC(F)F ZINC000417599571 500122015 /nfs/dbraw/zinc/12/20/15/500122015.db2.gz CGXQVVIXZUECSV-SFYZADRCSA-N -1 3 352.175 3.249 20 0 FGADHM COc1cc(CN[C@@H](CCC(=O)[O-])c2ccccc2)cc2c1OCCO2 ZINC000417600497 500122139 /nfs/dbraw/zinc/12/21/39/500122139.db2.gz JUVHHXONRQIGPR-INIZCTEOSA-N -1 3 357.406 3.162 20 0 FGADHM CC(C)=CCSC[C@H](NCc1cc(Cl)c2c(c1)OCCO2)C(=O)[O-] ZINC000417603717 500122624 /nfs/dbraw/zinc/12/26/24/500122624.db2.gz ACBAFMVTSXAKPK-AWEZNQCLSA-N -1 3 371.886 3.353 20 0 FGADHM O=C([O-])[C@H]1C=C[C@H](NCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000417611077 500124520 /nfs/dbraw/zinc/12/45/20/500124520.db2.gz AHRAKTHBIWYDQE-STQMWFEESA-N -1 3 351.328 3.010 20 0 FGADHM COc1ccc(CN[C@H](CCC(=O)OC(C)(C)C)C(=O)[O-])c(Cl)c1 ZINC000417622244 500127727 /nfs/dbraw/zinc/12/77/27/500127727.db2.gz LWSOTXSAWRCIPK-CQSZACIVSA-N -1 3 357.834 3.013 20 0 FGADHM Cc1nn(-c2ccc(F)cc2)c(C)c1CNC[C@H](CC(=O)[O-])C(F)(F)F ZINC000417628539 500129265 /nfs/dbraw/zinc/12/92/65/500129265.db2.gz PJLQMDKKERQXMU-LBPRGKRZSA-N -1 3 373.350 3.371 20 0 FGADHM CCCOc1ccc(Br)cc1CN[C@H]1C=C[C@H](C(=O)[O-])C1 ZINC000417626516 500129437 /nfs/dbraw/zinc/12/94/37/500129437.db2.gz SYOJXOCZIQAKBP-FZMZJTMJSA-N -1 3 354.244 3.357 20 0 FGADHM CO[C@H](CNCc1ccc(-c2cccc(Br)c2)s1)C(=O)[O-] ZINC000417637464 500132801 /nfs/dbraw/zinc/13/28/01/500132801.db2.gz YXCFHZIRCZTASD-CYBMUJFWSA-N -1 3 370.268 3.367 20 0 FGADHM COc1cccc(CNC[C@@H](Oc2ccccc2)C(=O)[O-])c1OC(C)C ZINC000417637753 500132827 /nfs/dbraw/zinc/13/28/27/500132827.db2.gz ILKWHBZFINKZSK-GOSISDBHSA-N -1 3 359.422 3.104 20 0 FGADHM Cc1cc(CNC[C@H](Oc2ccccc2)C(=O)[O-])sc1Br ZINC000417641869 500135198 /nfs/dbraw/zinc/13/51/98/500135198.db2.gz SHKPBUSIZKNCJA-ZDUSSCGKSA-N -1 3 370.268 3.441 20 0 FGADHM O=S(=O)([N-]Cc1cn2ccsc2n1)c1ccc(Cl)cc1Cl ZINC000429865055 500158396 /nfs/dbraw/zinc/15/83/96/500158396.db2.gz JSRAYUKONMXJSJ-UHFFFAOYSA-N -1 3 362.263 3.181 20 0 FGADHM Cc1cccc(S(=O)(=O)[N-]Cc2c(F)cc(F)c(F)c2F)c1F ZINC000429877661 500161037 /nfs/dbraw/zinc/16/10/37/500161037.db2.gz PCAXYMXOTVRNPZ-UHFFFAOYSA-N -1 3 351.296 3.169 20 0 FGADHM C[C@@]1(C[N-]S(=O)(=O)c2ccc(Cl)cc2Cl)CCO[C@@H]1C1CC1 ZINC000429912311 500165923 /nfs/dbraw/zinc/16/59/23/500165923.db2.gz WKZBDCQQZSANBA-CABCVRRESA-N -1 3 364.294 3.477 20 0 FGADHM C[C@@H](NC(=O)N=c1cc2ccc(Br)cn2[n-]1)c1ccccc1 ZINC000429928294 500168033 /nfs/dbraw/zinc/16/80/33/500168033.db2.gz SXARVOOSWQPOLR-LLVKDONJSA-N -1 3 359.227 3.401 20 0 FGADHM C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)CN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000421912794 500175100 /nfs/dbraw/zinc/17/51/00/500175100.db2.gz CMORMZHZBZVGKC-ZIAGYGMSSA-N -1 3 370.449 3.111 20 0 FGADHM CCn1cc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2cccc3ccccc32)nc1C ZINC000430022011 500181909 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FGADHM CC(C)[C@H](O)CNC(=O)c1c[n-]c2ccc(Oc3ccccc3)cc2c1=O ZINC000430585910 500258474 /nfs/dbraw/zinc/25/84/74/500258474.db2.gz RSRNHSJCCDDGIY-LJQANCHMSA-N -1 3 366.417 3.067 20 0 FGADHM CCN(C(=O)c1cccc([C@]2(C)NC(=O)[N-]C2=O)c1)c1cccc(Cl)c1 ZINC000426468556 500276484 /nfs/dbraw/zinc/27/64/84/500276484.db2.gz KCYPEPAOWFUAIP-IBGZPJMESA-N -1 3 371.824 3.061 20 0 FGADHM C[C@@H]1CN(CC(=O)N[C@@H](CC(C)(C)C)c2ccc(F)cc2)C[C@H]1C(=O)[O-] ZINC000422586456 500278208 /nfs/dbraw/zinc/27/82/08/500278208.db2.gz FXSDOMSVBXVAIZ-XYPHTWIQSA-N -1 3 364.461 3.072 20 0 FGADHM C[C@@H]1CN(CC(=O)N[C@H](CC(C)(C)C)c2ccc(F)cc2)C[C@H]1C(=O)[O-] ZINC000422586455 500278450 /nfs/dbraw/zinc/27/84/50/500278450.db2.gz FXSDOMSVBXVAIZ-KBRIMQKVSA-N -1 3 364.461 3.072 20 0 FGADHM O=C([O-])[C@H](Cc1ccc(O)cc1)NCc1csc(-c2ccc(F)cc2)n1 ZINC000426649329 500300830 /nfs/dbraw/zinc/30/08/30/500300830.db2.gz XHVAFBPERQWIAZ-KRWDZBQOSA-N -1 3 372.421 3.440 20 0 FGADHM Cc1ccc(-c2n[nH]cc2CNC[C@H](Oc2ccc(F)cc2)C(=O)[O-])cc1 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COc1ccc(S(=O)(=O)[N-]c2cc(OC)c(C)c(OC)c2)c(C)c1C ZINC000431146316 500340937 /nfs/dbraw/zinc/34/09/37/500340937.db2.gz NRWAPLLDRCQMSP-UHFFFAOYSA-N -1 3 365.451 3.438 20 0 FGADHM CC[C@@H](CN(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)OC ZINC000419188198 500342781 /nfs/dbraw/zinc/34/27/81/500342781.db2.gz KBPJUMNXFAUGRM-SFHVURJKSA-N -1 3 362.495 3.344 20 0 FGADHM Cc1cc(-c2csc(NC(=O)CNC(=O)c3cccc([O-])c3)n2)c(C)o1 ZINC000427002936 500343787 /nfs/dbraw/zinc/34/37/87/500343787.db2.gz SICGVHOQMGHXHK-UHFFFAOYSA-N -1 3 371.418 3.094 20 0 FGADHM O=C(CNC(=O)c1cccc([O-])c1)N[C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000427081720 500351504 /nfs/dbraw/zinc/35/15/04/500351504.db2.gz TZXDIVLKGKEXSD-IBGZPJMESA-N -1 3 372.852 3.433 20 0 FGADHM O=c1cc(CSCCCS(=O)(=O)c2ccccc2)nc(C2CC2)[n-]1 ZINC000419400341 500361608 /nfs/dbraw/zinc/36/16/08/500361608.db2.gz LWBIAJDHDLEEHU-UHFFFAOYSA-N -1 3 364.492 3.157 20 0 FGADHM CCOCc1cccc([N-]S(=O)(=O)CC2(C(=O)OC)CCCCC2)c1 ZINC000427203618 500367146 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FGADHM CNC(=O)Nc1cc(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)ccc1F ZINC000436602077 501167872 /nfs/dbraw/zinc/16/78/72/501167872.db2.gz JSEWHPNOFNKEGD-UHFFFAOYSA-N -1 3 373.384 3.248 20 0 FGADHM Cc1cc(Br)cc2c1CN(C(=O)c1ccc(O)cc1[O-])CC2 ZINC000436607093 501168199 /nfs/dbraw/zinc/16/81/99/501168199.db2.gz SFIJXWZCEHKRAL-UHFFFAOYSA-N -1 3 362.223 3.367 20 0 FGADHM [O-]c1ccc(-c2noc(-c3cn(Cc4ccccn4)nn3)n2)c2ccccc12 ZINC000436614985 501169891 /nfs/dbraw/zinc/16/98/91/501169891.db2.gz BVIAADIOSPPIGA-UHFFFAOYSA-N -1 3 370.372 3.297 20 0 FGADHM O=c1cnn(Cc2nc(-c3ccc([O-])c4ccccc34)no2)c2ccccc12 ZINC000436612249 501170003 /nfs/dbraw/zinc/17/00/03/501170003.db2.gz MBJKACYANCIEPF-UHFFFAOYSA-N -1 3 370.368 3.354 20 0 FGADHM CC(C)(C)c1cnc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])s1 ZINC000436620409 501170749 /nfs/dbraw/zinc/17/07/49/501170749.db2.gz SWRIXIHZIXYHPO-ZDUSSCGKSA-N -1 3 373.478 3.390 20 0 FGADHM C[C@@H]1C[C@H](NC(=O)c2cc(Br)cc(Cl)c2[O-])CN1C1CC1 ZINC000441786538 501171554 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CC(=O)c1ccc(C(=O)Nc2ccn(-c3ccccc3Cl)n2)cc1[O-] ZINC000436660142 501181531 /nfs/dbraw/zinc/18/15/31/501181531.db2.gz BLRIJDKPULMALF-UHFFFAOYSA-N -1 3 355.781 3.108 20 0 FGADHM Cc1cccc([C@H]2CCCN2C(=O)CCNC(=O)c2ccc(C)cc2[O-])c1 ZINC000436668611 501183061 /nfs/dbraw/zinc/18/30/61/501183061.db2.gz YLHUCBDKWZYUFJ-LJQANCHMSA-N -1 3 366.461 3.493 20 0 FGADHM Cc1c2cc(F)ccc2oc1C(=O)NCCCNC(=O)c1cccc([O-])c1 ZINC000588218931 506239342 /nfs/dbraw/zinc/23/93/42/506239342.db2.gz UYDBPBXCRVOCNV-UHFFFAOYSA-N -1 3 370.380 3.136 20 0 FGADHM Cc1ccccc1-c1cc(=NC(=O)C(=O)Nc2cccc(Cl)c2C)[nH][n-]1 ZINC000436688323 501189042 /nfs/dbraw/zinc/18/90/42/501189042.db2.gz BHWKCTWOWXRJIY-UHFFFAOYSA-N -1 3 368.824 3.346 20 0 FGADHM Cc1ccc(C(=O)NCCc2nc(Cc3cc(C)cc(C)c3)no2)c([O-])c1 ZINC000436692253 501189772 /nfs/dbraw/zinc/18/97/72/501189772.db2.gz WHCCHHHQKUQWIZ-UHFFFAOYSA-N -1 3 365.433 3.264 20 0 FGADHM CCCNC(=O)c1ccc(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)cc1 ZINC000436700564 501191534 /nfs/dbraw/zinc/19/15/34/501191534.db2.gz WIWLPBLQPDPRDZ-UHFFFAOYSA-N -1 3 368.433 3.498 20 0 FGADHM CCOC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)c1ccc([O-])c(CC)c1 ZINC000436699051 501191836 /nfs/dbraw/zinc/19/18/36/501191836.db2.gz SOGFFTXHRRCZGO-GOSISDBHSA-N -1 3 355.434 3.201 20 0 FGADHM COc1ccc2c(c1)OCCN(C(=O)c1ccc3c(c1[O-])OC(C)(C)C3)C2 ZINC000436713361 501194885 /nfs/dbraw/zinc/19/48/85/501194885.db2.gz DXWGWDBIQMJSKT-UHFFFAOYSA-N -1 3 369.417 3.149 20 0 FGADHM Cc1cccc(C(=O)N[C@H](CCO)c2ccccc2Br)c1[O-] ZINC000436715103 501195225 /nfs/dbraw/zinc/19/52/25/501195225.db2.gz HWDDFTNGXWMOTO-OAHLLOKOSA-N -1 3 364.239 3.317 20 0 FGADHM CN(C)CCN(Cc1cccc(F)c1)C(=O)c1ccc(Cl)cc1[O-] ZINC000436716483 501195745 /nfs/dbraw/zinc/19/57/45/501195745.db2.gz BIKNTPVSYSULMA-UHFFFAOYSA-N -1 3 350.821 3.389 20 0 FGADHM CCCC1CCC(NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)CC1 ZINC000436717367 501195850 /nfs/dbraw/zinc/19/58/50/501195850.db2.gz CAICYLYATJKJCH-UHFFFAOYSA-N -1 3 373.497 3.219 20 0 FGADHM CCS(=O)(=O)c1ccc([C@H](C)NC(=O)c2ccc(C)c(C)c2[O-])cc1 ZINC000436737236 501200856 /nfs/dbraw/zinc/20/08/56/501200856.db2.gz PSWOENNRDYMPOJ-AWEZNQCLSA-N -1 3 361.463 3.294 20 0 FGADHM CCCCOc1ccc(C(=O)NCc2ncn(-c3ccccc3)n2)c([O-])c1 ZINC000436753056 501204899 /nfs/dbraw/zinc/20/48/99/501204899.db2.gz ZTBVGMNDQSKOTG-UHFFFAOYSA-N -1 3 366.421 3.082 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)c3ccc(C4CC4)nc3C)[n-]c21 ZINC000450190937 501205906 /nfs/dbraw/zinc/20/59/06/501205906.db2.gz VTCNJDZJQANQQI-UHFFFAOYSA-N -1 3 350.378 3.183 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccc(C4CC4)nc3C)nc21 ZINC000450190937 501205909 /nfs/dbraw/zinc/20/59/09/501205909.db2.gz VTCNJDZJQANQQI-UHFFFAOYSA-N -1 3 350.378 3.183 20 0 FGADHM O=C(NC1CCN(CCc2ccccc2)CC1)c1cc(Cl)ccc1[O-] ZINC000436758692 501205997 /nfs/dbraw/zinc/20/59/97/501205997.db2.gz NGNRZUVYLRPTDT-UHFFFAOYSA-N -1 3 358.869 3.483 20 0 FGADHM COc1ccc(OC)c(CN(C(=O)c2cc(OC)ccc2[O-])C2CC2)c1 ZINC000436760297 501207053 /nfs/dbraw/zinc/20/70/53/501207053.db2.gz AMQWRAAAWMYQAO-UHFFFAOYSA-N -1 3 357.406 3.223 20 0 FGADHM CC1(C)Cc2ccc(C(=O)Nc3cccc(C(=O)NC4CC4)c3)c([O-])c2O1 ZINC000436772470 501209400 /nfs/dbraw/zinc/20/94/00/501209400.db2.gz FCYRGCDVKZKNNT-UHFFFAOYSA-N -1 3 366.417 3.250 20 0 FGADHM COc1ccc(CCNC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)cc1OC ZINC000436777394 501210070 /nfs/dbraw/zinc/21/00/70/501210070.db2.gz MPOPLFQVCVSATN-UHFFFAOYSA-N -1 3 371.433 3.095 20 0 FGADHM COc1ccc(C(=O)NCCOc2ccccc2C(F)(F)F)c([O-])c1 ZINC000436816102 501215627 /nfs/dbraw/zinc/21/56/27/501215627.db2.gz ZUNGRZYWUKSQCE-UHFFFAOYSA-N -1 3 355.312 3.228 20 0 FGADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)c1csc(Cl)c1 ZINC000436817078 501215804 /nfs/dbraw/zinc/21/58/04/501215804.db2.gz QPOWEXBNWWAXKU-UHFFFAOYSA-N -1 3 364.854 3.142 20 0 FGADHM Cc1cccc(C(=O)NCc2cccc(NC(=O)c3ccccn3)c2)c1[O-] ZINC000436816678 501216152 /nfs/dbraw/zinc/21/61/52/501216152.db2.gz UFHJQWVPZOUCIN-UHFFFAOYSA-N -1 3 361.401 3.278 20 0 FGADHM CCc1ccc(C(=O)NC[C@@H]2CCN(c3ccccc3OC)C2)c([O-])c1 ZINC000436823767 501216974 /nfs/dbraw/zinc/21/69/74/501216974.db2.gz CVIXDRQPBZTGHA-INIZCTEOSA-N -1 3 354.450 3.220 20 0 FGADHM CCOc1nc2cc(C(=O)N[C@H](C)c3ccc([S@@](C)=O)cc3)ccc2[n-]1 ZINC000450245955 501218570 /nfs/dbraw/zinc/21/85/70/501218570.db2.gz SNERVSFUGHNGPE-MZHQLVBMSA-N -1 3 371.462 3.190 20 0 FGADHM CCOc1nc2ccc(C(=O)N[C@H](C)c3ccc([S@@](C)=O)cc3)cc2[n-]1 ZINC000450245955 501218573 /nfs/dbraw/zinc/21/85/73/501218573.db2.gz SNERVSFUGHNGPE-MZHQLVBMSA-N -1 3 371.462 3.190 20 0 FGADHM COc1ccc(C(=O)N[C@H]2CCCN(c3ccc(F)cc3C)C2)c([O-])c1 ZINC000436838092 501218979 /nfs/dbraw/zinc/21/89/79/501218979.db2.gz JQDHYLMUKMOEMB-HNNXBMFYSA-N -1 3 358.413 3.247 20 0 FGADHM CCc1ccc(C(=O)N[C@H](c2cnn(C)c2)c2ccc(F)cc2)c([O-])c1 ZINC000436838039 501218995 /nfs/dbraw/zinc/21/89/95/501218995.db2.gz LWXVVEIWAXZNSE-IBGZPJMESA-N -1 3 353.397 3.347 20 0 FGADHM CCOc1cc(-c2noc(-c3cnnn3-c3cccc(F)c3)n2)ccc1[O-] ZINC000436875354 501225343 /nfs/dbraw/zinc/22/53/43/501225343.db2.gz CTZWFIHQYNAGQN-UHFFFAOYSA-N -1 3 367.340 3.228 20 0 FGADHM CCOc1cc(-c2noc(-c3cc4ccccc4c(=O)n3C)n2)ccc1[O-] ZINC000436878833 501225920 /nfs/dbraw/zinc/22/59/20/501225920.db2.gz VAONKUWGWKERIJ-UHFFFAOYSA-N -1 3 363.373 3.360 20 0 FGADHM CCc1ccc(-c2nc(CC(=O)NCc3cccc(C)c3)no2)c([O-])c1 ZINC000436876811 501226194 /nfs/dbraw/zinc/22/61/94/501226194.db2.gz KWCGLFGVNIIRET-UHFFFAOYSA-N -1 3 351.406 3.172 20 0 FGADHM CCc1ccc(-c2nc(-c3cccc(N4CCNC4=O)c3)no2)c([O-])c1 ZINC000436880867 501226602 /nfs/dbraw/zinc/22/66/02/501226602.db2.gz UBDQACSEYGZMFQ-UHFFFAOYSA-N -1 3 350.378 3.201 20 0 FGADHM Cc1ccc(F)c(C(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)c1F ZINC000436884297 501226993 /nfs/dbraw/zinc/22/69/93/501226993.db2.gz BBEGDRHGFIJVSM-UHFFFAOYSA-N -1 3 374.387 3.013 20 0 FGADHM COc1cc(-c2noc(-c3ccc4c(c3)NC(=O)CS4)n2)ccc1[O-] ZINC000436895630 501229039 /nfs/dbraw/zinc/22/90/39/501229039.db2.gz JPKXDKUPPUSZLT-UHFFFAOYSA-N -1 3 355.375 3.162 20 0 FGADHM CN(CCNC(=O)c1cc(Cc2ccccc2)ccc1[O-])CC(F)(F)F ZINC000436908515 501230897 /nfs/dbraw/zinc/23/08/97/501230897.db2.gz VRHUAQACJTYIDW-UHFFFAOYSA-N -1 3 366.383 3.207 20 0 FGADHM O=S(=O)([N-]C1CCN(Cc2ccccc2)CC1)c1sccc1Cl ZINC000450970022 501235788 /nfs/dbraw/zinc/23/57/88/501235788.db2.gz MFOVXHYFTPBACK-UHFFFAOYSA-N -1 3 370.927 3.344 20 0 FGADHM Cc1csc(S(=O)(=O)[N-]Cc2ccc(NC(=O)C(C)C)cc2)c1 ZINC000451013291 501239035 /nfs/dbraw/zinc/23/90/35/501239035.db2.gz GCSPIDBUSIRUBD-UHFFFAOYSA-N -1 3 352.481 3.130 20 0 FGADHM Cc1nccn1CCC[N-]S(=O)(=O)c1sc2ccccc2c1Cl ZINC000451097367 501245443 /nfs/dbraw/zinc/24/54/43/501245443.db2.gz ZDCPDZWZXVOYSM-UHFFFAOYSA-N -1 3 369.899 3.428 20 0 FGADHM CCOc1ccncc1S(=O)(=O)[N-][C@H]1CCc2c1cccc2Cl ZINC000451106534 501246141 /nfs/dbraw/zinc/24/61/41/501246141.db2.gz LWOYZDHDSUPOBL-AWEZNQCLSA-N -1 3 352.843 3.100 20 0 FGADHM COC(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)c1F ZINC000451112381 501246654 /nfs/dbraw/zinc/24/66/54/501246654.db2.gz VTMIBWVWVUIJKP-UHFFFAOYSA-N -1 3 363.410 3.292 20 0 FGADHM Cc1csc(S(=O)(=O)[N-][C@@H](C)c2cccc(N3CCCC3=O)c2)c1 ZINC000451119665 501247013 /nfs/dbraw/zinc/24/70/13/501247013.db2.gz HKYNZBBMEYMYRU-ZDUSSCGKSA-N -1 3 364.492 3.223 20 0 FGADHM Cc1csc(S(=O)(=O)[N-]C[C@H](c2ccc(C)o2)N2CCCC2)c1 ZINC000451155261 501248766 /nfs/dbraw/zinc/24/87/66/501248766.db2.gz OZLNHBWVGVBVGD-CQSZACIVSA-N -1 3 354.497 3.073 20 0 FGADHM COc1cccc(N2CCC[C@H]([N-]S(=O)(=O)c3cc(C)cs3)C2)c1 ZINC000451206394 501252209 /nfs/dbraw/zinc/25/22/09/501252209.db2.gz FAPRGVPAPJHXSK-AWEZNQCLSA-N -1 3 366.508 3.012 20 0 FGADHM CCOc1cc(CCC[N-]S(=O)(=O)c2cc(C)cs2)ccc1OC ZINC000451214158 501252694 /nfs/dbraw/zinc/25/26/94/501252694.db2.gz HDBRFFSJPZQSAO-UHFFFAOYSA-N -1 3 369.508 3.375 20 0 FGADHM CCOc1ccncc1S(=O)(=O)[N-]C1(c2cccc(Cl)c2)CC1 ZINC000451238275 501254088 /nfs/dbraw/zinc/25/40/88/501254088.db2.gz DBQSEBPACDZRTH-UHFFFAOYSA-N -1 3 352.843 3.101 20 0 FGADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)[C@H]3CCC[C@@H]3CC)c2)[n-]1 ZINC000451283035 501257438 /nfs/dbraw/zinc/25/74/38/501257438.db2.gz FDAXSLKSYPCDEL-HOCLYGCPSA-N -1 3 370.453 3.091 20 0 FGADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)[C@H]3CCC[C@@H]3CC)c2)n[n-]1 ZINC000451283035 501257439 /nfs/dbraw/zinc/25/74/39/501257439.db2.gz FDAXSLKSYPCDEL-HOCLYGCPSA-N -1 3 370.453 3.091 20 0 FGADHM CC(C)[C@H]([N-]S(=O)(=O)c1sccc1Cl)c1nnc2ccccn21 ZINC000451296832 501259344 /nfs/dbraw/zinc/25/93/44/501259344.db2.gz NJTOMAYLSDEOSA-LBPRGKRZSA-N -1 3 370.887 3.120 20 0 FGADHM CO[C@@H](C)c1nc(C[N-]S(=O)(=O)c2cc3cc(F)ccc3o2)cs1 ZINC000451300165 501260087 /nfs/dbraw/zinc/26/00/87/501260087.db2.gz HOQSQJIVGCARKB-VIFPVBQESA-N -1 3 370.427 3.214 20 0 FGADHM Cc1ccnc([C@@H]([N-]S(=O)(=O)c2cc3cc(F)ccc3o2)C2CC2)n1 ZINC000451364487 501275779 /nfs/dbraw/zinc/27/57/79/501275779.db2.gz DFMGEYHKYASJDQ-INIZCTEOSA-N -1 3 361.398 3.100 20 0 FGADHM C[C@H]1CC[C@@](C)(C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)C1(C)C ZINC000457653727 501278526 /nfs/dbraw/zinc/27/85/26/501278526.db2.gz OKUMFJVQPMVOGH-BTYIYWSLSA-N -1 3 358.482 3.139 20 0 FGADHM O=S(=O)([N-]C[C@H]1CCC[C@@H](CO)C1)c1ccc2ccccc2c1F ZINC000451554171 501322356 /nfs/dbraw/zinc/32/23/56/501322356.db2.gz DMKRNDBKBNTLSP-UONOGXRCSA-N -1 3 351.443 3.056 20 0 FGADHM CC[C@]1(C[N-]S(=O)(=O)C[C@@H]2CCCC2(F)F)OCCc2ccccc21 ZINC000451568474 501326470 /nfs/dbraw/zinc/32/64/70/501326470.db2.gz RDIIXKIYROMRCY-DOTOQJQBSA-N -1 3 373.465 3.219 20 0 FGADHM CCc1nc(C(C)(C)NC(=O)CCc2ccc3ccccc3c2[O-])no1 ZINC000451650826 501344834 /nfs/dbraw/zinc/34/48/34/501344834.db2.gz FMPWPYYTYIESGM-UHFFFAOYSA-N -1 3 353.422 3.475 20 0 FGADHM O=C([O-])[C@@H]1CN(CCOc2ccc(Cl)c(F)c2)C[C@H]1C(F)(F)F ZINC000455645273 501354985 /nfs/dbraw/zinc/35/49/85/501354985.db2.gz XLXASQDTCJITGN-NXEZZACHSA-N -1 3 355.715 3.053 20 0 FGADHM CC[C@H](CC(F)(F)F)C(=O)N=c1nc(-c2ccccc2Cl)[n-]n1C ZINC000451837470 501382907 /nfs/dbraw/zinc/38/29/07/501382907.db2.gz LVVGNDJLYVUFLU-SECBINFHSA-N -1 3 360.767 3.475 20 0 FGADHM CCOC(=O)c1ccsc1[N-]C(=O)C(=O)Nc1ccc2c(c1)CCCC2 ZINC000453828163 501409372 /nfs/dbraw/zinc/40/93/72/501409372.db2.gz HSBBEHROMUGWSR-UHFFFAOYSA-N -1 3 372.446 3.381 20 0 FGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@@H](C)Cc1cnn(C)c1 ZINC000451972261 501410995 /nfs/dbraw/zinc/41/09/95/501410995.db2.gz VMPLQKBAPQBBMB-JTQLQIEISA-N -1 3 367.858 3.038 20 0 FGADHM COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-]C1(C2(C)CC2)CC1 ZINC000451979165 501412092 /nfs/dbraw/zinc/41/20/92/501412092.db2.gz AYVZBIOLPJAKNR-UHFFFAOYSA-N -1 3 373.902 3.366 20 0 FGADHM CCO[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000452068096 501427972 /nfs/dbraw/zinc/42/79/72/501427972.db2.gz NNIWHNHBSPQOOF-NXEZZACHSA-N -1 3 368.318 3.137 20 0 FGADHM C[C@H]1C[C@H](O)CN(Cc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)C1 ZINC000452065877 501428059 /nfs/dbraw/zinc/42/80/59/501428059.db2.gz IVAPEVBFKWVAPH-JSGCOSHPSA-N -1 3 355.463 3.267 20 0 FGADHM C[C@@H]1C[C@@H](O)CN(Cc2nc(=O)c3cc(-c4ccccc4)sc3[n-]2)C1 ZINC000452067730 501428138 /nfs/dbraw/zinc/42/81/38/501428138.db2.gz MXVIBHMBLFAPSK-TZMCWYRMSA-N -1 3 355.463 3.267 20 0 FGADHM Cc1csc(S(=O)(=O)[N-][C@H](c2cccs2)C2(CO)CCC2)c1 ZINC000452094141 501433538 /nfs/dbraw/zinc/43/35/38/501433538.db2.gz VCWJXECKTGKRSQ-CQSZACIVSA-N -1 3 357.522 3.300 20 0 FGADHM C[C@@H](c1ccc(C(=O)N2CCc3c(nc[n-]c3=O)C2)cc1)C(F)(F)F ZINC000456011697 501437581 /nfs/dbraw/zinc/43/75/81/501437581.db2.gz SBQCFWVSALAMSO-JTQLQIEISA-N -1 3 351.328 3.047 20 0 FGADHM COc1cc(C(=O)N[C@@H](CCO)c2cccc(C(F)(F)F)c2)ccc1[O-] ZINC000456061999 501446598 /nfs/dbraw/zinc/44/65/98/501446598.db2.gz NQTRMJRMQOZXOV-AWEZNQCLSA-N -1 3 369.339 3.273 20 0 FGADHM COc1ccc(C(=O)N[C@H](CCO)c2cccc(C(F)(F)F)c2)c([O-])c1 ZINC000456066606 501447411 /nfs/dbraw/zinc/44/74/11/501447411.db2.gz UGOPBJWZMYBUJN-OAHLLOKOSA-N -1 3 369.339 3.273 20 0 FGADHM CC[C@@H]1CCCC[C@H]1CNC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000452424867 501497567 /nfs/dbraw/zinc/49/75/67/501497567.db2.gz RDLXORXLIYSDKP-OCCSQVGLSA-N -1 3 356.463 3.143 20 0 FGADHM Cc1cc(F)ccc1[C@@H]1CCCN1C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000458649925 501499037 /nfs/dbraw/zinc/49/90/37/501499037.db2.gz HQSKYNOFJNEIEP-LBPRGKRZSA-N -1 3 371.338 3.318 20 0 FGADHM Cc1cc(F)ccc1[C@@H]1CCCN1C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000458649925 501499039 /nfs/dbraw/zinc/49/90/39/501499039.db2.gz HQSKYNOFJNEIEP-LBPRGKRZSA-N -1 3 371.338 3.318 20 0 FGADHM Cc1cc(F)ccc1[C@@H]1CCCN1C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000458649925 501499040 /nfs/dbraw/zinc/49/90/40/501499040.db2.gz HQSKYNOFJNEIEP-LBPRGKRZSA-N -1 3 371.338 3.318 20 0 FGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)NCC(C)(C)C1CCC1 ZINC000452787792 501562176 /nfs/dbraw/zinc/56/21/76/501562176.db2.gz WYLIIZRAVIPXOT-UHFFFAOYSA-N -1 3 368.481 3.015 20 0 FGADHM CC(C)(c1ccccc1)C1(NC(=O)c2ccc([N-]S(C)(=O)=O)cc2)CC1 ZINC000456804307 501601869 /nfs/dbraw/zinc/60/18/69/501601869.db2.gz IRWNNJJNILFNSG-UHFFFAOYSA-N -1 3 372.490 3.298 20 0 FGADHM COc1cccc(CN(Cc2cc(=O)[n-]c(C3CC3)n2)C[C@@H]2CCCO2)c1 ZINC000459306942 501628414 /nfs/dbraw/zinc/62/84/14/501628414.db2.gz QKIODFRXSHGWAS-IBGZPJMESA-N -1 3 369.465 3.249 20 0 FGADHM CCOc1cc(CN2CCC[C@@H](C(=O)NCC3CC3)C2)cc(Cl)c1[O-] ZINC000459309757 501628903 /nfs/dbraw/zinc/62/89/03/501628903.db2.gz VRUNNASHUIYQHX-OAHLLOKOSA-N -1 3 366.889 3.183 20 0 FGADHM CC(C)(C)OC(=O)[C@H]1CCN(Cc2cccc([O-])c2Br)C1 ZINC000459382870 501643481 /nfs/dbraw/zinc/64/34/81/501643481.db2.gz WNGVXAGFWJCIFD-LBPRGKRZSA-N -1 3 356.260 3.318 20 0 FGADHM CCOc1cc(CN2CCNC(=O)[C@H]2c2cccs2)cc(Cl)c1[O-] ZINC000459385993 501643914 /nfs/dbraw/zinc/64/39/14/501643914.db2.gz ZWWKELZYKBKBLH-OAHLLOKOSA-N -1 3 366.870 3.179 20 0 FGADHM CCc1ccc([C@@H](COC)NCc2cc(=O)[n-]c(-c3ccccc3)n2)o1 ZINC000459396090 501646208 /nfs/dbraw/zinc/64/62/08/501646208.db2.gz BUFLRQKULVRESA-QGZVFWFLSA-N -1 3 353.422 3.482 20 0 FGADHM CC(C)OC(=O)C[C@@H](NCc1cc(=O)[n-]c(C2CC2)n1)c1ccccc1 ZINC000459414420 501650138 /nfs/dbraw/zinc/65/01/38/501650138.db2.gz SIGLYFORARVYNM-QGZVFWFLSA-N -1 3 355.438 3.232 20 0 FGADHM O=C(Cc1ccc(Br)cc1[O-])NCCOCC1CCCC1 ZINC000457124913 501654792 /nfs/dbraw/zinc/65/47/92/501654792.db2.gz ADBMWAWYYXANHF-UHFFFAOYSA-N -1 3 356.260 3.020 20 0 FGADHM C[S@](=O)C[C@H](NCc1cccc([O-])c1Br)c1ccccc1 ZINC000459491144 501663362 /nfs/dbraw/zinc/66/33/62/501663362.db2.gz ZQDORSYRMXNRFE-QKKBWIMNSA-N -1 3 368.296 3.364 20 0 FGADHM CCOc1cc(CN2CCOC[C@H]2[C@@H]2CCCC2=O)cc(Cl)c1[O-] ZINC000459499415 501664728 /nfs/dbraw/zinc/66/47/28/501664728.db2.gz AMBBVIZJAHLIPZ-ZFWWWQNUSA-N -1 3 353.846 3.014 20 0 FGADHM COCCN(Cc1cccc([O-])c1Br)[C@@H]1CCCSC1 ZINC000459502135 501665264 /nfs/dbraw/zinc/66/52/64/501665264.db2.gz JPMBWICAYCZWKY-CYBMUJFWSA-N -1 3 360.317 3.499 20 0 FGADHM CCOc1cc(CN2CCN(C(=O)NC(C)(C)C)CC2)cc(Cl)c1[O-] ZINC000459532897 501671288 /nfs/dbraw/zinc/67/12/88/501671288.db2.gz OHUHSQQOSKUMDA-UHFFFAOYSA-N -1 3 369.893 3.070 20 0 FGADHM CC[C@@]1(C(C)C)C[C@@H]1NC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000457281656 501675467 /nfs/dbraw/zinc/67/54/67/501675467.db2.gz MPINZBUUSGAJOH-UWJYYQICSA-N -1 3 368.481 3.014 20 0 FGADHM CCOc1cc(CN2CCC[C@H](CCNC(C)=O)C2)cc(Cl)c1[O-] ZINC000459554781 501675664 /nfs/dbraw/zinc/67/56/64/501675664.db2.gz AWJKIVNBWRMPTG-CQSZACIVSA-N -1 3 354.878 3.183 20 0 FGADHM CCOc1cc(CN2CC[C@H](CCCO)C2)cc(Br)c1[O-] ZINC000459560586 501677096 /nfs/dbraw/zinc/67/70/96/501677096.db2.gz KYCMZTRIILQOKL-LBPRGKRZSA-N -1 3 358.276 3.148 20 0 FGADHM CN(Cc1cccc([O-])c1Br)C[C@H](O)Cc1ccccc1 ZINC000459593748 501683571 /nfs/dbraw/zinc/68/35/71/501683571.db2.gz QWBCEPSPVPQOAY-OAHLLOKOSA-N -1 3 350.256 3.190 20 0 FGADHM CC[C@H](CC(F)F)C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000457449000 501700491 /nfs/dbraw/zinc/70/04/91/501700491.db2.gz GEPZIQBPCHASKF-SNVBAGLBSA-N -1 3 364.414 3.077 20 0 FGADHM CO[C@H](C(=O)N=c1cc(-c2cc(C)cc(C)c2)[n-][nH]1)c1ccc(O)cc1 ZINC000463452623 501727746 /nfs/dbraw/zinc/72/77/46/501727746.db2.gz CRRGKLVIJVYDPU-IBGZPJMESA-N -1 3 351.406 3.147 20 0 FGADHM CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)Nc2nnc(-c3ccco3)[n-]2)c1 ZINC000463483196 501736357 /nfs/dbraw/zinc/73/63/57/501736357.db2.gz GFGLAVCVBVBCGX-UHFFFAOYSA-N -1 3 371.372 3.441 20 0 FGADHM CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)Nc2nc(-c3ccco3)n[n-]2)c1 ZINC000463483196 501736362 /nfs/dbraw/zinc/73/63/62/501736362.db2.gz GFGLAVCVBVBCGX-UHFFFAOYSA-N -1 3 371.372 3.441 20 0 FGADHM CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)Nc2n[n-]c(-c3ccco3)n2)c1 ZINC000463483196 501736364 /nfs/dbraw/zinc/73/63/64/501736364.db2.gz GFGLAVCVBVBCGX-UHFFFAOYSA-N -1 3 371.372 3.441 20 0 FGADHM Cc1csc([C@@H](C)NC(=O)Cc2ccc(Br)cc2[O-])n1 ZINC000477610566 501736834 /nfs/dbraw/zinc/73/68/34/501736834.db2.gz JGEORMSQJWAJAA-SECBINFHSA-N -1 3 355.257 3.340 20 0 FGADHM CCn1cnc(S(=O)(=O)[N-]CCCc2ccc(Cl)cc2Cl)c1 ZINC000474189437 501737959 /nfs/dbraw/zinc/73/79/59/501737959.db2.gz NFWOMCUJCOCGCU-UHFFFAOYSA-N -1 3 362.282 3.121 20 0 FGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000470599491 501738675 /nfs/dbraw/zinc/73/86/75/501738675.db2.gz JBQCIUPSKBKHDS-GLQYFDAESA-N -1 3 369.870 3.486 20 0 FGADHM COC(=O)C(C)(C)c1csc([N-]C(=O)c2c(F)ccc(F)c2OC)n1 ZINC000485168926 501746162 /nfs/dbraw/zinc/74/61/62/501746162.db2.gz QYDHPHOUTYEGFJ-UHFFFAOYSA-N -1 3 370.377 3.133 20 0 FGADHM O=C(Nc1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1)c1cnn[n-]1 ZINC000463547808 501758284 /nfs/dbraw/zinc/75/82/84/501758284.db2.gz OQIQSILAMKEPOM-UHFFFAOYSA-N -1 3 359.748 3.102 20 0 FGADHM O=C(Nc1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1)c1c[n-]nn1 ZINC000463547808 501758291 /nfs/dbraw/zinc/75/82/91/501758291.db2.gz OQIQSILAMKEPOM-UHFFFAOYSA-N -1 3 359.748 3.102 20 0 FGADHM O=C(Nc1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1)c1cn[n-]n1 ZINC000463547808 501758295 /nfs/dbraw/zinc/75/82/95/501758295.db2.gz OQIQSILAMKEPOM-UHFFFAOYSA-N -1 3 359.748 3.102 20 0 FGADHM O=S(=O)(CC1CCCC1)[N-][C@H](CO)c1c(Cl)cccc1Cl ZINC000481491835 501790364 /nfs/dbraw/zinc/79/03/64/501790364.db2.gz LXLFIWFAQMUNCF-CYBMUJFWSA-N -1 3 352.283 3.136 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000463723920 501803876 /nfs/dbraw/zinc/80/38/76/501803876.db2.gz GTCQHEMXYQLGJP-NEPJUHHUSA-N -1 3 359.311 3.026 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000463723920 501803880 /nfs/dbraw/zinc/80/38/80/501803880.db2.gz GTCQHEMXYQLGJP-NEPJUHHUSA-N -1 3 359.311 3.026 20 0 FGADHM CCOC[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F)C(C)C ZINC000474391988 501818242 /nfs/dbraw/zinc/81/82/42/501818242.db2.gz MYGBNBMGLXZBGH-LBPRGKRZSA-N -1 3 357.369 3.184 20 0 FGADHM CCc1cc(C(=O)N2CCN(C/C=C\c3ccccc3)CC2)ccc1[O-] ZINC000485434676 501819565 /nfs/dbraw/zinc/81/95/65/501819565.db2.gz FNYOHGCOFQMIBY-TWGQIWQCSA-N -1 3 350.462 3.426 20 0 FGADHM Cc1ncc(S(=O)(=O)[N-]C2CC(F)(c3cccc(Cl)c3)C2)s1 ZINC000481581750 501822082 /nfs/dbraw/zinc/82/20/82/501822082.db2.gz XUDCFMLFIYQZSE-UHFFFAOYSA-N -1 3 360.863 3.411 20 0 FGADHM CCOC(=O)c1c(C(C)C)csc1[N-]C(=O)C(=O)N1CCC(C)(C)C1 ZINC000467669641 501841648 /nfs/dbraw/zinc/84/16/48/501841648.db2.gz YQPIZXLUMPOAOY-UHFFFAOYSA-N -1 3 366.483 3.245 20 0 FGADHM O=C(N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1)c1cccc(-n2cccn2)c1 ZINC000467719591 501854686 /nfs/dbraw/zinc/85/46/86/501854686.db2.gz COWXORYDNXRSLI-UHFFFAOYSA-N -1 3 365.343 3.215 20 0 FGADHM CCO[C@@H](C)c1nc(CN(C)C(=O)c2c[n-]c3ccccc3c2=O)cs1 ZINC000463972013 501867959 /nfs/dbraw/zinc/86/79/59/501867959.db2.gz DNDPLMUVBDRCEY-LBPRGKRZSA-N -1 3 371.462 3.354 20 0 FGADHM CC(C)(C)CC[C@H](CO)NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000474536835 501869779 /nfs/dbraw/zinc/86/97/79/501869779.db2.gz GAUSLEYXEPRHAF-GFCCVEGCSA-N -1 3 373.291 3.141 20 0 FGADHM Cc1ccc([C@@H]2OCCC[C@@H]2[N-]S(=O)(=O)c2cc(F)cc(F)c2)cc1 ZINC000467792524 501874706 /nfs/dbraw/zinc/87/47/06/501874706.db2.gz HAKCMUSNOQXYJK-ROUUACIJSA-N -1 3 367.417 3.472 20 0 FGADHM COc1ccc(C2CCN(C(=O)c3ccc4[nH][n-]c(=O)c4c3)CC2)cc1 ZINC000611728826 506274821 /nfs/dbraw/zinc/27/48/21/506274821.db2.gz CQWRNOANXZKZSB-UHFFFAOYSA-N -1 3 351.406 3.297 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)[C@@H](c1ccccc1)N(C)C ZINC000474573547 501880394 /nfs/dbraw/zinc/88/03/94/501880394.db2.gz IHFXMWAPZYJKMV-DIFFPNOSSA-N -1 3 372.412 3.074 20 0 FGADHM CC(C)N1CCC[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000474572563 501880661 /nfs/dbraw/zinc/88/06/61/501880661.db2.gz GFTTVTFNHIGICW-NSHDSACASA-N -1 3 351.299 3.145 20 0 FGADHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N(CC)CC(C)(C)C ZINC000464034647 501880852 /nfs/dbraw/zinc/88/08/52/501880852.db2.gz XHZPJXYVNYTJJD-UHFFFAOYSA-N -1 3 354.472 3.066 20 0 FGADHM COc1cc(F)c([N-]S(=O)(=O)c2ccc3c(c2)CC(C)(C)O3)cc1F ZINC000467935203 501909613 /nfs/dbraw/zinc/90/96/13/501909613.db2.gz KGLTWCQWSGHGLD-UHFFFAOYSA-N -1 3 369.389 3.488 20 0 FGADHM CCn1cnnc1-c1ccccc1NC(=O)c1[n-]nc2c1cccc2OC ZINC000485718426 501913792 /nfs/dbraw/zinc/91/37/92/501913792.db2.gz JRPYRTTZVSEXLN-UHFFFAOYSA-N -1 3 362.393 3.102 20 0 FGADHM CCn1cnnc1-c1ccccc1NC(=O)c1n[n-]c2c1cccc2OC ZINC000485718426 501913795 /nfs/dbraw/zinc/91/37/95/501913795.db2.gz JRPYRTTZVSEXLN-UHFFFAOYSA-N -1 3 362.393 3.102 20 0 FGADHM CCCOc1ccc(C(=O)C[N-]S(=O)(=O)c2cccc(C)c2F)cc1 ZINC000464185113 501916349 /nfs/dbraw/zinc/91/63/49/501916349.db2.gz HWHAYVKFQCPEIQ-UHFFFAOYSA-N -1 3 365.426 3.084 20 0 FGADHM C[C@H](CN(C)Cc1ccccc1)[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000464192583 501918350 /nfs/dbraw/zinc/91/83/50/501918350.db2.gz MBVRYIDEPGXSSP-CYBMUJFWSA-N -1 3 370.877 3.278 20 0 FGADHM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccncc2Br)c1C ZINC000481920226 501918992 /nfs/dbraw/zinc/91/89/92/501918992.db2.gz JOOIIMXVOORONE-UHFFFAOYSA-N -1 3 369.284 3.300 20 0 FGADHM O=C(C[N-]S(=O)(=O)c1cc(F)ccc1Cl)c1ccccc1Cl ZINC000464202685 501920777 /nfs/dbraw/zinc/92/07/77/501920777.db2.gz DCVNFESNBHUBDV-UHFFFAOYSA-N -1 3 362.209 3.294 20 0 FGADHM CN(C)c1ccc(C(F)(F)F)cc1NC(=O)NCc1ncccc1[O-] ZINC000471144690 501933288 /nfs/dbraw/zinc/93/32/88/501933288.db2.gz XRDDQAUUASPHHL-UHFFFAOYSA-N -1 3 354.332 3.194 20 0 FGADHM C[C@H]1CCCC[C@@H]1OCC(=O)Nc1nnc(-c2c(F)cccc2F)[n-]1 ZINC000478316008 501939839 /nfs/dbraw/zinc/93/98/39/501939839.db2.gz QMWVCKRFEGFOIC-GWCFXTLKSA-N -1 3 350.369 3.284 20 0 FGADHM C[C@H]1CCCC[C@@H]1OCC(=O)Nc1nc(-c2c(F)cccc2F)n[n-]1 ZINC000478316008 501939843 /nfs/dbraw/zinc/93/98/43/501939843.db2.gz QMWVCKRFEGFOIC-GWCFXTLKSA-N -1 3 350.369 3.284 20 0 FGADHM C[C@H]1CCCC[C@@H]1OCC(=O)Nc1n[n-]c(-c2c(F)cccc2F)n1 ZINC000478316008 501939847 /nfs/dbraw/zinc/93/98/47/501939847.db2.gz QMWVCKRFEGFOIC-GWCFXTLKSA-N -1 3 350.369 3.284 20 0 FGADHM CCc1ncc(S(=O)(=O)[N-]CCc2c[nH]c3ccc(Cl)cc23)s1 ZINC000460887979 501951956 /nfs/dbraw/zinc/95/19/56/501951956.db2.gz BDZOOIHVPNSHSY-UHFFFAOYSA-N -1 3 369.899 3.361 20 0 FGADHM CCc1cc(C(=O)Nc2ccc(OC)c(N3CCCC3=O)c2)ccc1[O-] ZINC000485826852 501952014 /nfs/dbraw/zinc/95/20/14/501952014.db2.gz JPAKBYDLLKTKOP-UHFFFAOYSA-N -1 3 354.406 3.342 20 0 FGADHM CCc1ncc(S(=O)(=O)[N-][C@@H](C)Cc2nc3ccccc3s2)s1 ZINC000460894482 501953269 /nfs/dbraw/zinc/95/32/69/501953269.db2.gz AYCYEIBTHAMZHA-JTQLQIEISA-N -1 3 367.521 3.225 20 0 FGADHM CCc1ncc(S(=O)(=O)[N-]Cc2cc(C)ccc2OC(F)F)s1 ZINC000460900137 501954173 /nfs/dbraw/zinc/95/41/73/501954173.db2.gz MIQXZYMMAOTHDO-UHFFFAOYSA-N -1 3 362.423 3.094 20 0 FGADHM C[C@@]1(CNC(=O)Cc2ccc([O-])cc2Cl)OCCc2sccc21 ZINC000460984090 501981704 /nfs/dbraw/zinc/98/17/04/501981704.db2.gz WDIFTMZUKQRFBY-KRWDZBQOSA-N -1 3 351.855 3.254 20 0 FGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)c2cncc3ccccc32)c1 ZINC000461023033 501992239 /nfs/dbraw/zinc/99/22/39/501992239.db2.gz BUNSZAYGEWXKLS-UHFFFAOYSA-N -1 3 355.419 3.167 20 0 FGADHM COc1ccc([O-])c(C(=O)N[C@@H](CO)c2c(Cl)cccc2Cl)c1 ZINC000478475976 501994790 /nfs/dbraw/zinc/99/47/90/501994790.db2.gz WSHPSHNXTYMWOF-ZDUSSCGKSA-N -1 3 356.205 3.171 20 0 FGADHM C[C@H]1CC[C@@H](N(C)C(=O)N=c2cc3ccc(Br)cn3[n-]2)C1 ZINC000482212796 502009821 /nfs/dbraw/zinc/00/98/21/502009821.db2.gz PYLGJTSEOOFUSQ-CMPLNLGQSA-N -1 3 351.248 3.171 20 0 FGADHM O=C(CNC(=O)c1cccc([O-])c1)N1Cc2ccccc2-c2ccccc2C1 ZINC000471392233 502009553 /nfs/dbraw/zinc/00/95/53/502009553.db2.gz UODXOBGDARBBKW-UHFFFAOYSA-N -1 3 372.424 3.331 20 0 FGADHM CCc1cc(=O)[n-]c(CN(C)Cc2cc(OC)c(OC)cc2SC)n1 ZINC000468271190 502013693 /nfs/dbraw/zinc/01/36/93/502013693.db2.gz 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ZINC000461394695 502092736 /nfs/dbraw/zinc/09/27/36/502092736.db2.gz NVIVIFUPWAMRPO-LBPRGKRZSA-N -1 3 356.809 3.379 20 0 FGADHM O=C(NCc1ccccc1OCc1ccccc1)NCc1ncccc1[O-] ZINC000471654063 502099637 /nfs/dbraw/zinc/09/96/37/502099637.db2.gz QICKRLGOHJPPQB-UHFFFAOYSA-N -1 3 363.417 3.366 20 0 FGADHM CCc1nc([C@@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2OC)cs1 ZINC000486260887 502102847 /nfs/dbraw/zinc/10/28/47/502102847.db2.gz SOMIHCOZVIBYDE-SECBINFHSA-N -1 3 360.888 3.407 20 0 FGADHM C[C@@H](COc1ccc(C(C)(C)C)cc1)NC(=O)NCc1ncccc1[O-] ZINC000471712760 502115046 /nfs/dbraw/zinc/11/50/46/502115046.db2.gz DHFYGOYNMLOBRS-AWEZNQCLSA-N -1 3 357.454 3.351 20 0 FGADHM CC[C@@H]1CN(c2ccccc2)CCN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000461513742 502134020 /nfs/dbraw/zinc/13/40/20/502134020.db2.gz GLDRZLZWNWJULQ-MRXNPFEDSA-N -1 3 361.445 3.269 20 0 FGADHM CC[C@H](NC(=O)NCc1nnc(C(F)(F)F)[n-]1)c1ccc(Cl)cc1 ZINC000482662466 502142901 /nfs/dbraw/zinc/14/29/01/502142901.db2.gz AEWRGAUEYOWKCP-JTQLQIEISA-N -1 3 361.755 3.427 20 0 FGADHM CC[C@H](NC(=O)NCc1n[n-]c(C(F)(F)F)n1)c1ccc(Cl)cc1 ZINC000482662466 502142907 /nfs/dbraw/zinc/14/29/07/502142907.db2.gz AEWRGAUEYOWKCP-JTQLQIEISA-N -1 3 361.755 3.427 20 0 FGADHM CC[C@H](NC(=O)NCc1nc(C(F)(F)F)n[n-]1)c1ccc(Cl)cc1 ZINC000482662466 502142913 /nfs/dbraw/zinc/14/29/13/502142913.db2.gz AEWRGAUEYOWKCP-JTQLQIEISA-N -1 3 361.755 3.427 20 0 FGADHM C[N-]S(=O)(=O)c1cc(NC(=O)NCC[C@H]2CCCC[C@H]2C)ccc1F ZINC000486404669 502144891 /nfs/dbraw/zinc/14/48/91/502144891.db2.gz KJFPGSOIFUHKNK-CHWSQXEVSA-N -1 3 371.478 3.072 20 0 FGADHM [O-]c1cccnc1CNCc1ccc(OC(F)F)c(Br)c1 ZINC000475351919 502144978 /nfs/dbraw/zinc/14/49/78/502144978.db2.gz BJONJDNMJHICLE-UHFFFAOYSA-N -1 3 359.170 3.441 20 0 FGADHM CC[C@@H](C)[C@@H](C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C)c1ccccc1 ZINC000461619068 502155809 /nfs/dbraw/zinc/15/58/09/502155809.db2.gz QLFSPECHDKQUQF-BFUOFWGJSA-N -1 3 367.449 3.351 20 0 FGADHM CCOC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000471856743 502156189 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O=C(NCCCNc1cncc(OC2CCCCC2)n1)c1cccc([O-])c1 ZINC000475425154 502167727 /nfs/dbraw/zinc/16/77/27/502167727.db2.gz WKXWCPIXWOKLIK-UHFFFAOYSA-N -1 3 370.453 3.126 20 0 FGADHM COC(=O)c1ccc([C@H]([N-]C(=O)[C@@H](C)C(F)(F)F)C(F)(F)F)cc1 ZINC000479114191 502167814 /nfs/dbraw/zinc/16/78/14/502167814.db2.gz GIECBUALBXVKBT-XCBNKYQSSA-N -1 3 357.250 3.391 20 0 FGADHM CC(C)Oc1cccc([C@H](C)NC(=O)NCc2nnc(C(F)(F)F)[n-]2)c1 ZINC000482750378 502169160 /nfs/dbraw/zinc/16/91/60/502169160.db2.gz VXQNXKMMWWGYAA-JTQLQIEISA-N -1 3 371.363 3.171 20 0 FGADHM CC(C)Oc1cccc([C@H](C)NC(=O)NCc2n[n-]c(C(F)(F)F)n2)c1 ZINC000482750378 502169167 /nfs/dbraw/zinc/16/91/67/502169167.db2.gz VXQNXKMMWWGYAA-JTQLQIEISA-N -1 3 371.363 3.171 20 0 FGADHM CC(C)Oc1cccc([C@H](C)NC(=O)NCc2nc(C(F)(F)F)n[n-]2)c1 ZINC000482750378 502169174 /nfs/dbraw/zinc/16/91/74/502169174.db2.gz VXQNXKMMWWGYAA-JTQLQIEISA-N -1 3 371.363 3.171 20 0 FGADHM COC[C@](C)([N-]S(=O)(=O)c1ccc(CC(C)C)cc1)C(F)(F)F ZINC000479161543 502180753 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O=C(NCc1ccnc(Oc2ccccc2F)c1)NCc1ncccc1[O-] ZINC000472222746 502274958 /nfs/dbraw/zinc/27/49/58/502274958.db2.gz OAHIPRKYBVLGKR-UHFFFAOYSA-N -1 3 368.368 3.113 20 0 FGADHM CCOc1nc2ccc(C(=O)Nc3ccc4c(c3)NC(=O)CS4)cc2[n-]1 ZINC000469045584 502276865 /nfs/dbraw/zinc/27/68/65/502276865.db2.gz UZQWSOGXGKIBOI-UHFFFAOYSA-N -1 3 368.418 3.258 20 0 FGADHM CCOc1nc2cc(C(=O)Nc3ccc4c(c3)NC(=O)CS4)ccc2[n-]1 ZINC000469045584 502276866 /nfs/dbraw/zinc/27/68/66/502276866.db2.gz UZQWSOGXGKIBOI-UHFFFAOYSA-N -1 3 368.418 3.258 20 0 FGADHM O=S(=O)([N-]C1CC(C(F)(F)F)C1)c1ccc(C(F)(F)F)s1 ZINC000462067560 502292408 /nfs/dbraw/zinc/29/24/08/502292408.db2.gz NQFUGPLCZAXBQX-UHFFFAOYSA-N -1 3 353.309 3.386 20 0 FGADHM C[C@H]1CCCN(S(=O)(=O)[N-]c2ccc(OC(F)F)c3cccnc23)C1 ZINC000479549809 502293527 /nfs/dbraw/zinc/29/35/27/502293527.db2.gz AIVGESHRINTYJE-NSHDSACASA-N -1 3 371.409 3.225 20 0 FGADHM C[C@]1([N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)CCO[C@@H]1C1CC1 ZINC000462072881 502295353 /nfs/dbraw/zinc/29/53/53/502295353.db2.gz 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ZINC000472496605 502369258 /nfs/dbraw/zinc/36/92/58/502369258.db2.gz JIFODGTZOBPPOF-VIFPVBQESA-N -1 3 368.283 3.484 20 0 FGADHM O=C(COc1cccc(Cl)c1)Nc1nnc(-c2c(F)cccc2F)[n-]1 ZINC000479765188 502370437 /nfs/dbraw/zinc/37/04/37/502370437.db2.gz UUHJJGRNRADSGQ-UHFFFAOYSA-N -1 3 364.739 3.421 20 0 FGADHM O=C(COc1cccc(Cl)c1)Nc1nc(-c2c(F)cccc2F)n[n-]1 ZINC000479765188 502370443 /nfs/dbraw/zinc/37/04/43/502370443.db2.gz UUHJJGRNRADSGQ-UHFFFAOYSA-N -1 3 364.739 3.421 20 0 FGADHM O=C(COc1cccc(Cl)c1)Nc1n[n-]c(-c2c(F)cccc2F)n1 ZINC000479765188 502370448 /nfs/dbraw/zinc/37/04/48/502370448.db2.gz UUHJJGRNRADSGQ-UHFFFAOYSA-N -1 3 364.739 3.421 20 0 FGADHM C[C@@H](NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)C1(c2ccccc2)CCCC1 ZINC000479780329 502376378 /nfs/dbraw/zinc/37/63/78/502376378.db2.gz RIYVEHYEGIVZIE-CQSZACIVSA-N -1 3 362.429 3.201 20 0 FGADHM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)c2ccc(OC)c(C)c2C)o1 ZINC000462309037 502387519 /nfs/dbraw/zinc/38/75/19/502387519.db2.gz AILVKLWGCZRJAA-OAHLLOKOSA-N -1 3 367.467 3.133 20 0 FGADHM Cc1cc(C(F)(F)F)nn1CC(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000487199568 502387719 /nfs/dbraw/zinc/38/77/19/502387719.db2.gz LRFYNSBOZBZHHS-JTQLQIEISA-N -1 3 353.344 3.456 20 0 FGADHM CCc1ccc([C@H](COC)[N-]S(=O)(=O)c2ccc(Cl)cc2C)o1 ZINC000462314047 502388953 /nfs/dbraw/zinc/38/89/53/502388953.db2.gz MVKHPWMIXAOZBC-AWEZNQCLSA-N -1 3 357.859 3.470 20 0 FGADHM CC(C)NC(=O)[C@H]1CCC[C@H](NC(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000469378199 502392901 /nfs/dbraw/zinc/39/29/01/502392901.db2.gz BYHBRYIOJMZALF-HOTGVXAUSA-N -1 3 364.461 3.054 20 0 FGADHM CN1CCC[C@H](C[N-]S(=O)(=O)c2ccccc2F)[C@@H]1c1cccs1 ZINC000462325249 502393467 /nfs/dbraw/zinc/39/34/67/502393467.db2.gz MYPSQWIXDOPIKM-CXAGYDPISA-N -1 3 368.499 3.249 20 0 FGADHM Cc1nc(S(=O)(=O)[N-][C@@H](CC(C)C)c2ccc(Cl)cc2)cn1C ZINC000462345597 502401505 /nfs/dbraw/zinc/40/15/05/502401505.db2.gz HQNKJBMUVKCIAU-HNNXBMFYSA-N -1 3 355.891 3.448 20 0 FGADHM Cc1nn(C(C)(C)C)cc1[C@H](C)[N-]S(=O)(=O)c1c(C)cccc1F ZINC000476215436 502416562 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CCc1cc(C(=O)N[C@@](C)(CC(=O)OC)c2cccc(OC)c2)ccc1[O-] ZINC000487398462 502434362 /nfs/dbraw/zinc/43/43/62/502434362.db2.gz WIIGYVHSFSPMSE-NRFANRHFSA-N -1 3 371.433 3.172 20 0 FGADHM O=C(NCc1ccc([O-])c(Br)c1)[C@@H]1CC(=O)c2ccccc21 ZINC000476329723 502458560 /nfs/dbraw/zinc/45/85/60/502458560.db2.gz WEFPPTPCRXFTPV-CYBMUJFWSA-N -1 3 360.207 3.141 20 0 FGADHM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CCN1C ZINC000462498278 502465431 /nfs/dbraw/zinc/46/54/31/502465431.db2.gz CYLTYOCRBCTCPD-ONGXEEELSA-N -1 3 370.824 3.120 20 0 FGADHM Cc1cc(C)cc(OCC[N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)c1 ZINC000462506160 502468354 /nfs/dbraw/zinc/46/83/54/502468354.db2.gz AOCXXYJLVRPOQU-UHFFFAOYSA-N -1 3 359.369 3.078 20 0 FGADHM Cc1cc(C(=O)NCCCNC(=O)c2cccc([O-])c2)c(C)cc1Cl ZINC000476363878 502469228 /nfs/dbraw/zinc/46/92/28/502469228.db2.gz JODMZHLPKSCRGU-UHFFFAOYSA-N -1 3 360.841 3.212 20 0 FGADHM CCOc1nc2cc(C(=O)N3CC[C@H](Nc4ccccc4)C3)ccc2[n-]1 ZINC000469652435 502492377 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CCOc1nc2cc(C(=O)Nc3ccc(C)c(C(=O)N(C)C)c3)ccc2[n-]1 ZINC000469721303 502516769 /nfs/dbraw/zinc/51/67/69/502516769.db2.gz PECXUGXSMSWHHE-UHFFFAOYSA-N -1 3 366.421 3.224 20 0 FGADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)CC(C)(C)CC(C)=O)[nH][n-]1 ZINC000473138753 502524696 /nfs/dbraw/zinc/52/46/96/502524696.db2.gz KAMBYJFMWLVTAY-UHFFFAOYSA-N -1 3 363.845 3.495 20 0 FGADHM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2F)C12CCCC2 ZINC000462664377 502527821 /nfs/dbraw/zinc/52/78/21/502527821.db2.gz XAKLQHJFCBFGGO-GJZGRUSLSA-N -1 3 361.866 3.495 20 0 FGADHM CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)C12CCCC2 ZINC000462687407 502534910 /nfs/dbraw/zinc/53/49/10/502534910.db2.gz ZCFKEKVPIKFMQM-KGLIPLIRSA-N -1 3 363.401 3.120 20 0 FGADHM C[C@@H](NC(=O)CC[N-]S(=O)(=O)c1cccs1)[C@@H](C)C1CCCCC1 ZINC000480353438 502544285 /nfs/dbraw/zinc/54/42/85/502544285.db2.gz LGUJLHZQTLXJSW-ZIAGYGMSSA-N -1 3 372.556 3.138 20 0 FGADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCC[C@]1(CO)Cc1ccccc1 ZINC000476643460 502548402 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COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)c1cc(C)c(Cl)cc1C ZINC000484141045 502581716 /nfs/dbraw/zinc/58/17/16/502581716.db2.gz VKOCVHILDVLVJV-UHFFFAOYSA-N -1 3 364.785 3.110 20 0 FGADHM C[C@@H]1C[C@@H](NC(=O)N=c2[n-]nc(C(C)(C)C)s2)CN1Cc1ccccc1 ZINC000466544111 502601602 /nfs/dbraw/zinc/60/16/02/502601602.db2.gz VYAIDMONVFHLIC-UKRRQHHQSA-N -1 3 373.526 3.042 20 0 FGADHM O=C(NCc1ncccc1[O-])N[C@@H](CCc1ccccc1)C(F)(F)F ZINC000469934189 502602343 /nfs/dbraw/zinc/60/23/43/502602343.db2.gz VKOUTJKGMZOZJV-HNNXBMFYSA-N -1 3 353.344 3.150 20 0 FGADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)c2c[nH]nc2C2CC2)[nH][n-]1 ZINC000476948543 502631094 /nfs/dbraw/zinc/63/10/94/502631094.db2.gz CPGHYFCVIMYHDT-UHFFFAOYSA-N -1 3 357.801 3.013 20 0 FGADHM O=S(=O)([N-][C@@H]1CC[C@@H](c2ccc(F)cc2)C1)c1cncc(Cl)c1 ZINC000480725869 502653902 /nfs/dbraw/zinc/65/39/02/502653902.db2.gz FOFHWETYNFNGSF-IUODEOHRSA-N -1 3 354.834 3.489 20 0 FGADHM CCn1c(NC(=O)c2c[n-]nc2-c2ccc(F)cc2)nc2cccnc21 ZINC000477030167 502654073 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C[C@H](Oc1cnc2ccccc2c1)C(=O)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000473676880 502675673 /nfs/dbraw/zinc/67/56/73/502675673.db2.gz NWYRKBABWXOESA-AWEZNQCLSA-N -1 3 358.401 3.453 20 0 FGADHM C[C@@H]1CN(C2CC2)C[C@H]1[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000480843034 502685919 /nfs/dbraw/zinc/68/59/19/502685919.db2.gz VNAFWMSYRKFRHK-QMTHXVAHSA-N -1 3 370.927 3.316 20 0 FGADHM CO[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1F)c1ccc(F)cc1 ZINC000466859243 502705071 /nfs/dbraw/zinc/70/50/71/502705071.db2.gz NQMITACFJPEIGV-AWEZNQCLSA-N -1 3 361.797 3.284 20 0 FGADHM Cc1cc2c(cc1S(=O)(=O)[N-][C@@H](C1CCCC1)C(F)(F)F)OCO2 ZINC000480923755 502706981 /nfs/dbraw/zinc/70/69/81/502706981.db2.gz DYNSUCKLUXKYSV-AWEZNQCLSA-N -1 3 365.373 3.123 20 0 FGADHM O=S(=O)([N-]c1ccc(F)c(-c2nc[nH]n2)c1)c1cccc(Cl)c1 ZINC000470238027 502712413 /nfs/dbraw/zinc/71/24/13/502712413.db2.gz SOWPDRXNHAQBHK-UHFFFAOYSA-N -1 3 352.778 3.065 20 0 FGADHM CSc1ccc(F)cc1C[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000466882977 502713218 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3 356.426 3.016 20 0 FGADHM Cc1cc(NC(=O)c2cc3c(cc2[O-])CCCC3)n(C2CCOCC2)n1 ZINC000536711995 503694192 /nfs/dbraw/zinc/69/41/92/503694192.db2.gz XEIYSSIFPZYMQP-UHFFFAOYSA-N -1 3 355.438 3.380 20 0 FGADHM CS(=O)(=O)[N-]c1ccc(-c2noc(-c3cc(F)c(F)cc3F)n2)cc1 ZINC000546334499 503715998 /nfs/dbraw/zinc/71/59/98/503715998.db2.gz DRAMSYOMXSCCIW-UHFFFAOYSA-N -1 3 369.324 3.192 20 0 FGADHM Cn1cc(C(=O)Nc2ccc(OC(F)(F)F)cc2[O-])c(C(F)F)n1 ZINC000527202715 503718699 /nfs/dbraw/zinc/71/86/99/503718699.db2.gz XJYUHNOEUREZJC-UHFFFAOYSA-N -1 3 351.231 3.214 20 0 FGADHM C[C@]1(c2cccc(-c3noc(C4CCC(C)(C)CC4)n3)c2)NC(=O)[N-]C1=O ZINC000546360043 503724124 /nfs/dbraw/zinc/72/41/24/503724124.db2.gz RRFPTQXGWDDDNW-HXUWFJFHSA-N -1 3 368.437 3.475 20 0 FGADHM COC(=O)COc1cccc(NC(=O)c2cc([O-])ccc2C(F)(F)F)c1 ZINC000527237455 503733847 /nfs/dbraw/zinc/73/38/47/503733847.db2.gz RPLYPHNCTYBQCI-UHFFFAOYSA-N -1 3 369.295 3.215 20 0 FGADHM O=C(NC12CCC(C(F)(F)F)(CC1)CC2)c1cc(F)cc2nn[n-]c21 ZINC000517393959 503734437 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C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)CN1CCC[C@H](CC(=O)[O-])C1 ZINC000533202710 503760221 /nfs/dbraw/zinc/76/02/21/503760221.db2.gz KRBGCSXDMAKNQA-UONOGXRCSA-N -1 3 352.862 3.046 20 0 FGADHM Cc1ccccc1-c1cc(=NC(=O)[C@H](CC(C)C)N2CCCCC2=O)[nH][n-]1 ZINC000540422085 503766556 /nfs/dbraw/zinc/76/65/56/503766556.db2.gz MDUQJDUMYIQFBU-SFHVURJKSA-N -1 3 368.481 3.173 20 0 FGADHM CCCC(=O)Nc1nc2ccc([N-]C(=O)c3cc(OC)no3)cc2s1 ZINC000543429797 503766658 /nfs/dbraw/zinc/76/66/58/503766658.db2.gz SBPPSXRDJONCFY-UHFFFAOYSA-N -1 3 360.395 3.284 20 0 FGADHM CCN(Cc1nc(=O)n(C)[n-]1)[C@H](C)c1ccc(-c2cccc(OC)c2)cc1 ZINC000543435405 503768558 /nfs/dbraw/zinc/76/85/58/503768558.db2.gz GUNHMMRCRJSGGJ-OAHLLOKOSA-N -1 3 366.465 3.367 20 0 FGADHM Cc1nc(S(=O)(=O)[N-][C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)C2)cn1C ZINC000546606450 503805713 /nfs/dbraw/zinc/80/57/13/503805713.db2.gz KXYUDGPRMQVERJ-HAQNSBGRSA-N -1 3 374.293 3.260 20 0 FGADHM CN(C)C[C@H](NC(=O)c1cncc([O-])c1)c1ccc(Cl)c(Cl)c1 ZINC000530035073 503808127 /nfs/dbraw/zinc/80/81/27/503808127.db2.gz YNAMZQXMGJKGCP-HNNXBMFYSA-N -1 3 354.237 3.127 20 0 FGADHM CC1(C)[C@@H](c2cccc(F)c2)CCN1C(=O)CNC(=O)c1cccc([O-])c1 ZINC000530039754 503810411 /nfs/dbraw/zinc/81/04/11/503810411.db2.gz SJLABNDFLCBPKP-GOSISDBHSA-N -1 3 370.424 3.056 20 0 FGADHM CC(C)c1ccccc1OCC[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000517707168 503813241 /nfs/dbraw/zinc/81/32/41/503813241.db2.gz MCJGHOACAPPJMA-UHFFFAOYSA-N -1 3 355.406 3.446 20 0 FGADHM COc1cc(C(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)ccc1OC1CCCC1 ZINC000527499648 503813759 /nfs/dbraw/zinc/81/37/59/503813759.db2.gz PEXQVHLMUNFJED-MRXNPFEDSA-N -1 3 371.437 3.265 20 0 FGADHM COC(=O)[C@H](CC(C)C)[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000517712982 503815431 /nfs/dbraw/zinc/81/54/31/503815431.db2.gz CCDJDOYUKBQTOS-NSHDSACASA-N -1 3 368.282 3.168 20 0 FGADHM O=S(=O)([N-]CC1(c2ccccn2)CCC1)c1cc(F)ccc1Cl ZINC000517748030 503824533 /nfs/dbraw/zinc/82/45/33/503824533.db2.gz ADPNFLVZMPYSTA-UHFFFAOYSA-N -1 3 354.834 3.274 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]C[C@@H](c2cccs2)N2CCCC2)c(F)c1 ZINC000517871188 503854594 /nfs/dbraw/zinc/85/45/94/503854594.db2.gz YTMYHFNSJDYVAC-HNNXBMFYSA-N -1 3 368.499 3.311 20 0 FGADHM O=C([O-])c1ccc(F)c2c1CN(CCCOc1ccc3c(c1)OCO3)CC2 ZINC000530167615 503861127 /nfs/dbraw/zinc/86/11/27/503861127.db2.gz FFQITWIHGMHZRZ-UHFFFAOYSA-N -1 3 373.380 3.080 20 0 FGADHM O=C([O-])c1ccc(F)c2c1CN(CCN1CCCc3ccccc31)CC2 ZINC000530168514 503861814 /nfs/dbraw/zinc/86/18/14/503861814.db2.gz JWDAJFXQFIOCCL-UHFFFAOYSA-N -1 3 354.425 3.335 20 0 FGADHM CC(C)N1CC[C@@H](N=c2ncnc3[nH][n-]cc2-3)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540709402 503864121 /nfs/dbraw/zinc/86/41/21/503864121.db2.gz BWZUOURQZYPMFN-HZPDHXFCSA-N -1 3 374.851 3.155 20 0 FGADHM Cc1cccc(S(=O)(=O)[N-]CCCOc2cccc3cccnc32)c1F ZINC000543794711 503896181 /nfs/dbraw/zinc/89/61/81/503896181.db2.gz XGZOXIKWAJCDHH-UHFFFAOYSA-N -1 3 374.437 3.430 20 0 FGADHM CC(C)[C@@H]1CN(C(=O)c2c([O-])cccc2O)CCN1Cc1ccccc1 ZINC000530273815 503903517 /nfs/dbraw/zinc/90/35/17/503903517.db2.gz OHCOOVNXCLVLIF-KRWDZBQOSA-N -1 3 354.450 3.080 20 0 FGADHM Cc1nn(C)c(C)c1C[C@H](C)C(=O)N=c1[nH][n-]c(C)c1-c1ccccc1F ZINC000530275991 503904534 /nfs/dbraw/zinc/90/45/34/503904534.db2.gz OXIOAKODPSRMFO-NSHDSACASA-N -1 3 369.444 3.114 20 0 FGADHM Cc1cc(C(=O)[O-])ccc1N1C(=O)C[C@H](N2CCC[C@H](C(C)(C)C)C2)C1=O ZINC000530321833 503925469 /nfs/dbraw/zinc/92/54/69/503925469.db2.gz AWQMPTRAUKJEHN-RDJZCZTQSA-N -1 3 372.465 3.083 20 0 FGADHM COc1ccc(CN2CCc3ccc(O)cc3C2)c(Br)c1[O-] ZINC000546963097 503939769 /nfs/dbraw/zinc/93/97/69/503939769.db2.gz CWPOLAUGOKHYBE-UHFFFAOYSA-N -1 3 364.239 3.427 20 0 FGADHM CC(C)(c1nc(-c2ccc([N-]S(C)(=O)=O)cc2)no1)c1ccccc1 ZINC000547042976 503965508 /nfs/dbraw/zinc/96/55/08/503965508.db2.gz FVLGYGDIYZUTNU-UHFFFAOYSA-N -1 3 357.435 3.434 20 0 FGADHM CC(C)n1cnc(S(=O)(=O)[N-][C@@H]2CC[C@@H](c3ccc(F)cc3)C2)c1 ZINC000530479776 503980491 /nfs/dbraw/zinc/98/04/91/503980491.db2.gz BCXCQPGGUXPZHC-GDBMZVCRSA-N -1 3 351.447 3.218 20 0 FGADHM CCC(CC)c1cc(C[N-]S(=O)(=O)c2cc3c(cc2C)OCO3)on1 ZINC000530480358 503980972 /nfs/dbraw/zinc/98/09/72/503980972.db2.gz GWCHULYLZZDZCX-UHFFFAOYSA-N -1 3 366.439 3.094 20 0 FGADHM Cc1ccc(CS(=O)(=O)[N-]Cc2nc(C)c3ccccc3n2)c(F)c1 ZINC000530481546 503981515 /nfs/dbraw/zinc/98/15/15/503981515.db2.gz CQRGKCWEMDHVDK-UHFFFAOYSA-N -1 3 359.426 3.005 20 0 FGADHM COC(=O)c1csc(S(=O)(=O)[N-][C@H]2CCC[C@H]2c2ccccc2)c1 ZINC000518441327 503986271 /nfs/dbraw/zinc/98/62/71/503986271.db2.gz DDYRVWZTAMRZKL-GJZGRUSLSA-N -1 3 365.476 3.149 20 0 FGADHM Cc1nc(CC2CC2)oc1C(=O)[N-]c1ncn(Cc2ccc(Cl)cc2)n1 ZINC000530510902 503992953 /nfs/dbraw/zinc/99/29/53/503992953.db2.gz MFLBXBVCZKPOKE-UHFFFAOYSA-N -1 3 371.828 3.481 20 0 FGADHM Cc1ncc(CNC(=O)N[C@@H](C)c2nc(-c3ccccc3)cs2)c(=O)[n-]1 ZINC000544131542 504020419 /nfs/dbraw/zinc/02/04/19/504020419.db2.gz QGRYECJFEQOFJQ-NSHDSACASA-N -1 3 369.450 3.175 20 0 FGADHM CO[C@@H](c1ccc(F)cc1)[C@@H](C)[N-]S(=O)(=O)c1cc(F)c(C)cc1F ZINC000537739711 504023512 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CC(=O)Nc1ccc([O-])c(C(=O)NC[C@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000530754387 504076348 /nfs/dbraw/zinc/07/63/48/504076348.db2.gz RWGFBVRJRDUSPW-NWDGAFQWSA-N -1 3 358.360 3.449 20 0 FGADHM NC(=O)c1ccc(F)c([N-]C(=O)c2nccnc2Sc2ccccc2)c1 ZINC000541292462 504077485 /nfs/dbraw/zinc/07/74/85/504077485.db2.gz MNWYGTDKXZWVJO-UHFFFAOYSA-N -1 3 368.393 3.118 20 0 FGADHM Cc1ccc([O-])c(NC(=O)[C@@H](C)Oc2cccc(Br)c2)n1 ZINC000544324738 504087859 /nfs/dbraw/zinc/08/78/59/504087859.db2.gz AWXQBUPZFHDEEK-SNVBAGLBSA-N -1 3 351.200 3.264 20 0 FGADHM O=S(=O)([N-]CC[C@H]1CCOC1)c1ccc(Cl)cc1C(F)(F)F ZINC000541320980 504088042 /nfs/dbraw/zinc/08/80/42/504088042.db2.gz DDHLJJSGRLCMAM-VIFPVBQESA-N -1 3 357.781 3.064 20 0 FGADHM Cc1ccc([O-])c(NC(=O)COc2ccc(F)cc2Br)n1 ZINC000544324885 504088074 /nfs/dbraw/zinc/08/80/74/504088074.db2.gz LRSIEKHGXACYJH-UHFFFAOYSA-N -1 3 355.163 3.015 20 0 FGADHM COCCC(C)(C)[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000544347696 504097355 /nfs/dbraw/zinc/09/73/55/504097355.db2.gz 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CC(C)(C)c1ccc(S(=O)(=O)[N-]C2(C(N)=O)CCC(C)(C)CC2)s1 ZINC000534628037 504194932 /nfs/dbraw/zinc/19/49/32/504194932.db2.gz CZISFSYLAPNHBE-UHFFFAOYSA-N -1 3 372.556 3.148 20 0 FGADHM COc1ccc2ncc(C(=O)[O-])c(N3CCSC4(CCOCC4)C3)c2c1 ZINC000519407295 504214023 /nfs/dbraw/zinc/21/40/23/504214023.db2.gz FFEYCYSNGHEQDG-UHFFFAOYSA-N -1 3 374.462 3.044 20 0 FGADHM Cc1cc(Cl)cc(NC(=O)[C@@H](C)n2nnc(-c3ccccc3)n2)c1[O-] ZINC000534704521 504219202 /nfs/dbraw/zinc/21/92/02/504219202.db2.gz HKRGUFGITYCBEK-LLVKDONJSA-N -1 3 357.801 3.207 20 0 FGADHM Cc1ccc(CCCC(=O)Nc2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)s1 ZINC000531187617 504219591 /nfs/dbraw/zinc/21/95/91/504219591.db2.gz DFQAVXHDEJDNFL-IBGZPJMESA-N -1 3 371.462 3.073 20 0 FGADHM COc1cccc([C@H](C[N-]S(=O)(=O)c2ccc(F)cc2Cl)OC)c1 ZINC000528450592 504229888 /nfs/dbraw/zinc/22/98/88/504229888.db2.gz VKJZHICSUHECAA-HNNXBMFYSA-N -1 3 373.833 3.154 20 0 FGADHM CC[C@@](C)([N-]S(=O)(=O)c1ccc(Br)o1)c1nccs1 ZINC000544714295 504232157 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Cc1ccc([O-])c(NC(=O)c2cn(-c3ccc(Br)cc3)cn2)n1 ZINC000542461434 504499430 /nfs/dbraw/zinc/49/94/30/504499430.db2.gz BNGZGYACEVYNPW-UHFFFAOYSA-N -1 3 373.210 3.296 20 0 FGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)c2c(C)cccc2C)s1 ZINC000545476494 504500903 /nfs/dbraw/zinc/50/09/03/504500903.db2.gz JZHONCONTQMCHC-LBPRGKRZSA-N -1 3 353.465 3.191 20 0 FGADHM O=C(NCc1ccc([O-])c(Br)c1)c1ccc(NC2CC2)nc1 ZINC000532019410 504506558 /nfs/dbraw/zinc/50/65/58/504506558.db2.gz GMENVPWLAIMIRM-UHFFFAOYSA-N -1 3 362.227 3.054 20 0 FGADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)NC(C)(C)C3CC3)cs2)c1 ZINC000545499941 504506674 /nfs/dbraw/zinc/50/66/74/504506674.db2.gz KCJLDTWOVWMIEK-UHFFFAOYSA-N -1 3 373.478 3.257 20 0 FGADHM Cc1cc(C)c2[n-]cc(C(=O)N3CCC[C@@H](OCC4CC4)C3)c(=O)c2c1 ZINC000548651194 504509182 /nfs/dbraw/zinc/50/91/82/504509182.db2.gz PBTQDTAREDNGFR-MRXNPFEDSA-N -1 3 354.450 3.176 20 0 FGADHM COc1cc(=NC(=O)N2CC=C(c3ccc(Cl)cc3C)CC2)[n-]n1C ZINC000529069628 504519881 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20 0 FGADHM C[C@H]1CCN(C(=O)[C@H](CS(C)(=O)=O)c2ccccc2)c2c([O-])cccc21 ZINC000613576833 507163434 /nfs/dbraw/zinc/16/34/34/507163434.db2.gz MEZMJHUOHXRSSE-WMLDXEAASA-N -1 3 373.474 3.061 20 0 FGADHM CC(C)N(C(=O)CN1CCC(C(=O)c2ccc([O-])cc2)CC1)C1CCCC1 ZINC000613578705 507165730 /nfs/dbraw/zinc/16/57/30/507165730.db2.gz RELBMCVEGJXFKV-UHFFFAOYSA-N -1 3 372.509 3.467 20 0 FGADHM C[C@H](NCC[N-]S(=O)(=O)c1ccc(F)cc1F)c1ccc(Cl)cc1 ZINC000584139756 507173670 /nfs/dbraw/zinc/17/36/70/507173670.db2.gz AYICDHIICCSKOK-NSHDSACASA-N -1 3 374.840 3.247 20 0 FGADHM O=C(c1ccc2[nH][n-]c(=O)c2c1)N1CCN(C2CC2)c2ccc(F)cc21 ZINC000613629249 507189401 /nfs/dbraw/zinc/18/94/01/507189401.db2.gz YZALMPGNTODPTF-UHFFFAOYSA-N -1 3 352.369 3.037 20 0 FGADHM Cc1ccc(CN[C@@H](CSCCOc2ccccc2)C(=O)[O-])c(F)c1 ZINC000600941822 507202601 /nfs/dbraw/zinc/20/26/01/507202601.db2.gz KRTKUSHCHPOOJP-SFHVURJKSA-N -1 3 363.454 3.489 20 0 FGADHM COc1cccc(CN[C@H](CSCCc2ccccc2)C(=O)[O-])c1F ZINC000591351658 507217092 /nfs/dbraw/zinc/21/70/92/507217092.db2.gz IPLOOTFGZRQDJU-MRXNPFEDSA-N -1 3 363.454 3.353 20 0 FGADHM CC(C)n1cc2cc(NC(=O)c3ccc([N-]S(C)(=O)=O)cc3)ccc2n1 ZINC000605523861 507230003 /nfs/dbraw/zinc/23/00/03/507230003.db2.gz HOVHDUOWVTXUKE-UHFFFAOYSA-N -1 3 372.450 3.241 20 0 FGADHM CCCCOc1ncccc1C[N-]S(=O)(=O)c1ccc(C)cc1F ZINC000591389477 507230234 /nfs/dbraw/zinc/23/02/34/507230234.db2.gz WANRUQQKONNIIR-UHFFFAOYSA-N -1 3 352.431 3.187 20 0 FGADHM CC(C)(C)OC(=O)c1cccc(CN[C@@H](CC(=O)[O-])c2ccncc2)c1 ZINC000594691897 507239793 /nfs/dbraw/zinc/23/97/93/507239793.db2.gz ZHRNYGJOYBAJIA-KRWDZBQOSA-N -1 3 356.422 3.343 20 0 FGADHM COc1ccc2cc(CN(C)C(=O)c3ccc4c(c3)C(=O)[N-]C4=O)ccc2c1 ZINC000591421590 507242915 /nfs/dbraw/zinc/24/29/15/507242915.db2.gz FAEPUNWRURZTLQ-UHFFFAOYSA-N -1 3 374.396 3.004 20 0 FGADHM CCCCO[C@@H](C)C(=O)Nc1cc(I)ccc1[O-] ZINC000610485687 507258472 /nfs/dbraw/zinc/25/84/72/507258472.db2.gz ZFKFYWOQCBRUPR-VIFPVBQESA-N -1 3 363.195 3.141 20 0 FGADHM O=C(Nc1cc(I)ccc1[O-])C1CCSCC1 ZINC000610490098 507259885 /nfs/dbraw/zinc/25/98/85/507259885.db2.gz AAKGSDNNRUXUNX-UHFFFAOYSA-N -1 3 363.220 3.079 20 0 FGADHM COc1ccc([O-])c(C(=O)Nc2cccc([C@@H](C)N3CCOCC3)c2)c1 ZINC000591463287 507260128 /nfs/dbraw/zinc/26/01/28/507260128.db2.gz GWTZWUICDCOLDR-CQSZACIVSA-N -1 3 356.422 3.046 20 0 FGADHM CCS[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(NC(C)=O)cc1F ZINC000610550262 507288333 /nfs/dbraw/zinc/28/83/33/507288333.db2.gz PJWNABBAISGXAI-GJZGRUSLSA-N -1 3 374.503 3.127 20 0 FGADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]CCC(C)(C)F ZINC000594844049 507296464 /nfs/dbraw/zinc/29/64/64/507296464.db2.gz APRKDRAYCFWNGK-UHFFFAOYSA-N -1 3 359.444 3.104 20 0 FGADHM COC(=O)[C@](C)(CCF)[N-]S(=O)(=O)c1cc(C(C)C)ccc1Cl ZINC000594865069 507299398 /nfs/dbraw/zinc/29/93/98/507299398.db2.gz GUPPQEIHRFJZAK-HNNXBMFYSA-N -1 3 365.854 3.033 20 0 FGADHM CC(C)(C)OC(=O)[C@H]1CCN(C(=O)Cc2cncc([O-])c2)c2ccccc21 ZINC000598204186 507313766 /nfs/dbraw/zinc/31/37/66/507313766.db2.gz VGAGCKJZESCZHT-KRWDZBQOSA-N -1 3 368.433 3.192 20 0 FGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H]1C[C@H]1c1ccccc1 ZINC000584415105 507331613 /nfs/dbraw/zinc/33/16/13/507331613.db2.gz UPWAFQNIENZBGI-ZFWWWQNUSA-N -1 3 351.855 3.431 20 0 FGADHM COC(=O)C(C)(C)[C@@H](NC(=O)NCc1ccc([O-])c(F)c1)c1ccccc1 ZINC000610846423 507412226 /nfs/dbraw/zinc/41/22/26/507412226.db2.gz UHJMMTNVHCUSFE-KRWDZBQOSA-N -1 3 374.412 3.271 20 0 FGADHM O=C(NCCCCn1ccnc1)c1cc(OCc2ccccc2)ccc1[O-] ZINC000606530849 507436479 /nfs/dbraw/zinc/43/64/79/507436479.db2.gz BLXBTRCIKBBLCU-UHFFFAOYSA-N -1 3 365.433 3.378 20 0 FGADHM CSc1ncc(C(=O)NCc2ccc([O-])c(F)c2)n1-c1ccccc1 ZINC000606537453 507437905 /nfs/dbraw/zinc/43/79/05/507437905.db2.gz XPLFIIPXQMUJSC-UHFFFAOYSA-N -1 3 357.410 3.369 20 0 FGADHM C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCCN2C(=O)c2cc(=O)c3ccccc3[n-]2)C1 ZINC000614327817 507463100 /nfs/dbraw/zinc/46/31/00/507463100.db2.gz NPYINSBBIRNNAA-NLCWTHGUSA-N -1 3 368.477 3.320 20 0 FGADHM CCc1cc(C(=O)N2CCC[C@H](c3ncc(C(=O)OC)s3)C2)ccc1[O-] ZINC000598552990 507481997 /nfs/dbraw/zinc/48/19/97/507481997.db2.gz HKZQKLHBLYNKBD-AWEZNQCLSA-N -1 3 374.462 3.218 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)Cc1ccc(C(F)F)cc1)C(=O)OC(C)(C)C ZINC000592099137 507482510 /nfs/dbraw/zinc/48/25/10/507482510.db2.gz KUIRMUGQJROMKE-ZDUSSCGKSA-N -1 3 363.426 3.164 20 0 FGADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]C[C@@H](C)C1CC1 ZINC000611016293 507483558 /nfs/dbraw/zinc/48/35/58/507483558.db2.gz QNQBOGFXRLCWTL-SNVBAGLBSA-N -1 3 353.465 3.012 20 0 FGADHM COc1cccc(N2CCC[C@@H](NC(=O)NCc3ccc([O-])c(F)c3)C2)c1 ZINC000606693036 507484294 /nfs/dbraw/zinc/48/42/94/507484294.db2.gz PRBDCPGZPLYKDN-OAHLLOKOSA-N -1 3 373.428 3.008 20 0 FGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@@]1(c2ccccc2)CC1(C)C ZINC000595412986 507485047 /nfs/dbraw/zinc/48/50/47/507485047.db2.gz VFYIFYBPBSKYJM-QGZVFWFLSA-N -1 3 365.476 3.138 20 0 FGADHM CCOC(=O)c1ccccc1S(=O)(=O)[N-]CC(C)(C)CC(F)(F)F ZINC000595417934 507488306 /nfs/dbraw/zinc/48/83/06/507488306.db2.gz KXZZKRGIINBIIP-UHFFFAOYSA-N -1 3 367.389 3.120 20 0 FGADHM COC(=O)c1cc(S(=O)(=O)[N-][C@@H](c2ccccc2)C2CCC2)c(C)o1 ZINC000611105446 507517606 /nfs/dbraw/zinc/51/76/06/507517606.db2.gz PLSFIEQPAIALCZ-KRWDZBQOSA-N -1 3 363.435 3.194 20 0 FGADHM O=S(=O)([N-][C@H]([C@H](CO)C1CC1)C1CC1)c1ccc(Cl)c(Cl)c1 ZINC000584820729 507522149 /nfs/dbraw/zinc/52/21/49/507522149.db2.gz VJXMJPAYLRXEQS-DOMZBBRYSA-N -1 3 364.294 3.069 20 0 FGADHM COC(=O)c1cc(Cl)c(Cl)c([N-]S(=O)(=O)CCCCF)c1 ZINC000601970434 507533724 /nfs/dbraw/zinc/53/37/24/507533724.db2.gz ZJMCOBFUHSNIBA-UHFFFAOYSA-N -1 3 358.218 3.271 20 0 FGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]C2(c3cccc(F)c3)CC2)c1 ZINC000606911042 507554139 /nfs/dbraw/zinc/55/41/39/507554139.db2.gz SSZPWDZXWKUNJC-UHFFFAOYSA-N -1 3 355.818 3.455 20 0 FGADHM CCOC(=O)c1sc([N-]C(=O)c2cc(OC)ns2)nc1C(C)C ZINC000598696507 507556910 /nfs/dbraw/zinc/55/69/10/507556910.db2.gz ZOYNDQQHGSAMCA-UHFFFAOYSA-N -1 3 355.441 3.161 20 0 FGADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCO[C@H](C(F)(F)F)C1 ZINC000606931522 507560016 /nfs/dbraw/zinc/56/00/16/507560016.db2.gz BFRKEUGRHADVQQ-KRWDZBQOSA-N -1 3 365.351 3.386 20 0 FGADHM O=S(=O)([N-][C@@H]1COc2ccccc2C1)c1cc(Cl)ccc1Cl ZINC000614619583 507588670 /nfs/dbraw/zinc/58/86/70/507588670.db2.gz WAMUQWDWWDUAJN-LBPRGKRZSA-N -1 3 358.246 3.275 20 0 FGADHM O=C(NC1CC1)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2Cl)c1 ZINC000614736964 507640996 /nfs/dbraw/zinc/64/09/96/507640996.db2.gz WXDPFKFZQVZBHA-UHFFFAOYSA-N -1 3 368.817 3.172 20 0 FGADHM CCOc1ccc(Br)cc1S(=O)(=O)[N-]C[C@H]1CC1(C)C ZINC000602270940 507649522 /nfs/dbraw/zinc/64/95/22/507649522.db2.gz KEYJLCGFOLJVRS-SNVBAGLBSA-N -1 3 362.289 3.172 20 0 FGADHM CCOc1ccc(Br)cc1S(=O)(=O)[N-]C[C@@H]1CC1(C)C ZINC000602270939 507650137 /nfs/dbraw/zinc/65/01/37/507650137.db2.gz KEYJLCGFOLJVRS-JTQLQIEISA-N -1 3 362.289 3.172 20 0 FGADHM Cc1nc2ccccc2n1CC(=O)N=c1cc(-c2cc(C)cc(C)c2)[n-][nH]1 ZINC000586758922 507662702 /nfs/dbraw/zinc/66/27/02/507662702.db2.gz OEQKMGAOQVZZFQ-UHFFFAOYSA-N -1 3 359.433 3.412 20 0 FGADHM COc1ccc(CNCCSC[C@H](C)C(=O)[O-])cc1Br ZINC000592460864 507664170 /nfs/dbraw/zinc/66/41/70/507664170.db2.gz BTMLXJNLAAPYBU-JTQLQIEISA-N -1 3 362.289 3.001 20 0 FGADHM Cc1cccc2c(C(=O)N[C@@H](C)[C@H](C)C(=O)Nc3ncccc3[O-])coc21 ZINC000614818641 507664428 /nfs/dbraw/zinc/66/44/28/507664428.db2.gz UQHCKXFRZNPXBR-STQMWFEESA-N -1 3 367.405 3.235 20 0 FGADHM C[C@@H](NC(=O)C(C1CCC1)C1CCC1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000614826074 507667299 /nfs/dbraw/zinc/66/72/99/507667299.db2.gz QOJOFMHNKAYQEQ-QWHCGFSZSA-N -1 3 359.470 3.083 20 0 FGADHM COc1ccc(-c2nc([N-]C(=O)c3cc(C(C)=O)cs3)n[nH]2)c(OC)c1 ZINC000592617901 507733060 /nfs/dbraw/zinc/73/30/60/507733060.db2.gz GEFFTTMYHKUGHH-UHFFFAOYSA-N -1 3 372.406 3.005 20 0 FGADHM Cn1c2cc([O-])c(NC(=O)C3(C(F)(F)F)CCCCC3)cc2n(C)c1=O ZINC000615063278 507738884 /nfs/dbraw/zinc/73/88/84/507738884.db2.gz IVXZHQLBXMWBQV-UHFFFAOYSA-N -1 3 371.359 3.034 20 0 FGADHM CO[C@@H]1CCC[C@H](C(=O)Nc2nnc(-c3ccc4ccccc4n3)[n-]2)C1 ZINC000615119334 507759028 /nfs/dbraw/zinc/75/90/28/507759028.db2.gz JGLSHPREWRYNKR-UONOGXRCSA-N -1 3 351.410 3.164 20 0 FGADHM CO[C@@H]1CCC[C@H](C(=O)Nc2nc(-c3ccc4ccccc4n3)n[n-]2)C1 ZINC000615119334 507759032 /nfs/dbraw/zinc/75/90/32/507759032.db2.gz JGLSHPREWRYNKR-UONOGXRCSA-N -1 3 351.410 3.164 20 0 FGADHM CO[C@@H]1CCC[C@H](C(=O)Nc2n[n-]c(-c3ccc4ccccc4n3)n2)C1 ZINC000615119334 507759040 /nfs/dbraw/zinc/75/90/40/507759040.db2.gz JGLSHPREWRYNKR-UONOGXRCSA-N -1 3 351.410 3.164 20 0 FGADHM CO[C@H]1CCC[C@H](C(=O)Nc2nnc(-c3ccc4ccccc4n3)[n-]2)C1 ZINC000615119331 507759263 /nfs/dbraw/zinc/75/92/63/507759263.db2.gz JGLSHPREWRYNKR-KBPBESRZSA-N -1 3 351.410 3.164 20 0 FGADHM CO[C@H]1CCC[C@H](C(=O)Nc2nc(-c3ccc4ccccc4n3)n[n-]2)C1 ZINC000615119331 507759267 /nfs/dbraw/zinc/75/92/67/507759267.db2.gz JGLSHPREWRYNKR-KBPBESRZSA-N -1 3 351.410 3.164 20 0 FGADHM CO[C@H]1CCC[C@H](C(=O)Nc2n[n-]c(-c3ccc4ccccc4n3)n2)C1 ZINC000615119331 507759271 /nfs/dbraw/zinc/75/92/71/507759271.db2.gz JGLSHPREWRYNKR-KBPBESRZSA-N -1 3 351.410 3.164 20 0 FGADHM COC(=O)c1cc(Cl)cc(NC(=O)CCSc2ccccn2)c1[O-] ZINC000588095415 507759632 /nfs/dbraw/zinc/75/96/32/507759632.db2.gz QSJAFKJOCSNYER-UHFFFAOYSA-N -1 3 366.826 3.348 20 0 FGADHM COC(=O)c1cc(Cl)cc(NC(=O)C(C)(C)c2c(C)noc2C)c1[O-] ZINC000588097251 507760921 /nfs/dbraw/zinc/76/09/21/507760921.db2.gz CZZVLKUHZMGUHN-UHFFFAOYSA-N -1 3 366.801 3.353 20 0 FGADHM CC[C@H](C)c1nc(C)c(CC(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)c(C)n1 ZINC000615136333 507765390 /nfs/dbraw/zinc/76/53/90/507765390.db2.gz SJKJFNOWHUERNX-JTQLQIEISA-N -1 3 353.426 3.370 20 0 FGADHM Cc1cc(NC(=O)c2cc(F)cc3[n-]nnc32)nn1-c1cccc(Cl)c1 ZINC000503518149 515064816 /nfs/dbraw/zinc/06/48/16/515064816.db2.gz JEQDGTICISTFMQ-UHFFFAOYSA-N -1 3 370.775 3.497 20 0 FGADHM Cc1cc(NC(=O)c2cc(F)cc3nn[n-]c32)nn1-c1cccc(Cl)c1 ZINC000503518149 515064829 /nfs/dbraw/zinc/06/48/29/515064829.db2.gz JEQDGTICISTFMQ-UHFFFAOYSA-N -1 3 370.775 3.497 20 0 FGADHM Cc1cc(NC(=O)c2cc(F)cc3n[n-]nc32)nn1-c1cccc(Cl)c1 ZINC000503518149 515064839 /nfs/dbraw/zinc/06/48/39/515064839.db2.gz JEQDGTICISTFMQ-UHFFFAOYSA-N -1 3 370.775 3.497 20 0 FGADHM O=C(c1csc(=NC2CC2)[n-]1)N(Cc1ccncc1)Cc1cccnc1 ZINC000476870920 515230356 /nfs/dbraw/zinc/23/03/56/515230356.db2.gz BIDIJWSNIBGWCY-UHFFFAOYSA-N -1 3 365.462 3.350 20 0 FGADHM C[C@@H](c1ccc(NC(=O)c2csc(=NC3CC3)[n-]2)cc1)N1CCOCC1 ZINC000476884676 515234982 /nfs/dbraw/zinc/23/49/82/515234982.db2.gz USNQQDKHGIDBFE-ZDUSSCGKSA-N -1 3 372.494 3.363 20 0 FGADHM C[C@H](NC(=O)CC1CCCCC1)C(=O)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000504636065 515343682 /nfs/dbraw/zinc/34/36/82/515343682.db2.gz CKTJFYFHUWYVRC-AWEZNQCLSA-N -1 3 354.454 3.490 20 0 FGADHM Cn1[n-]c(=NC(=O)CCc2cccc(OC(C)(C)C)n2)cc1OC(F)F ZINC000490973951 515346410 /nfs/dbraw/zinc/34/64/10/515346410.db2.gz SKWUWKSAYXNOFD-UHFFFAOYSA-N -1 3 368.384 3.165 20 0 FGADHM Cn1[n-]c(=NC(=O)c2cc(F)cc(Br)c2)cc1OC(F)F ZINC000491071423 515369376 /nfs/dbraw/zinc/36/93/76/515369376.db2.gz WZWTUHGSAMQUOI-UHFFFAOYSA-N -1 3 364.121 3.175 20 0 FGADHM CCC[C@H](NC(C)C)C(=O)N=c1[nH][n-]c(CC)c1-c1ccc2c(c1)OCO2 ZINC000499876346 515488991 /nfs/dbraw/zinc/48/89/91/515488991.db2.gz MRTZZCUKDGYPEJ-HNNXBMFYSA-N -1 3 372.469 3.473 20 0 FGADHM CCc1ccnc(CNC(=O)N=c2cc3ccc(Br)cn3[n-]2)c1 ZINC000482231013 515617706 /nfs/dbraw/zinc/61/77/06/515617706.db2.gz KCHKPLSWILNYKN-UHFFFAOYSA-N -1 3 374.242 3.376 20 0 FGADHM O=C(Cc1ccc(Br)c(F)c1)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000473844108 515771679 /nfs/dbraw/zinc/77/16/79/515771679.db2.gz AYLBGSNGFKGMLA-CYBMUJFWSA-N -1 3 368.206 3.344 20 0 FGADHM COc1ccc(C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)c(OCC2CC2)c1 ZINC000473847015 515772211 /nfs/dbraw/zinc/77/22/11/515772211.db2.gz LFFQSSQQVMYROY-INIZCTEOSA-N -1 3 357.410 3.311 20 0 FGADHM O=C(Cc1ccc(F)c(Br)c1)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000473849187 515772854 /nfs/dbraw/zinc/77/28/54/515772854.db2.gz JKQDHDSZJMNGCV-CYBMUJFWSA-N -1 3 368.206 3.344 20 0 FGADHM CCOc1ccc(C(=O)CCC(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)cc1 ZINC000473854429 515778510 /nfs/dbraw/zinc/77/85/10/515778510.db2.gz GRFANNBRPWSKDU-KRWDZBQOSA-N -1 3 357.410 3.262 20 0 FGADHM CCN=c1[n-]c(C(=O)NC[C@@H](c2ccccc2Cl)N(C)C)cs1 ZINC000494797025 515966292 /nfs/dbraw/zinc/96/62/92/515966292.db2.gz VQOPEJBRGKDUBX-AWEZNQCLSA-N -1 3 352.891 3.261 20 0 FGADHM CCCc1ccc(-c2cc(=NC(=O)COCc3ncc(C)o3)[nH][n-]2)cc1 ZINC000483222946 515991886 /nfs/dbraw/zinc/99/18/86/515991886.db2.gz RBTVGWZUYUNIMM-UHFFFAOYSA-N -1 3 354.410 3.481 20 0 FGADHM COc1cc(OC2CC2)ccc1C(=O)N=c1cc(-c2cccnc2)[n-][nH]1 ZINC000484046038 516286325 /nfs/dbraw/zinc/28/63/25/516286325.db2.gz CPYDOIQNNDMOAL-UHFFFAOYSA-N -1 3 350.378 3.274 20 0 FGADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)c2cccc(C(N)=O)c2)[nH][n-]1 ZINC000512842953 516383670 /nfs/dbraw/zinc/38/36/70/516383670.db2.gz ABQXRRYKVBSGAO-UHFFFAOYSA-N -1 3 370.796 3.090 20 0 FGADHM C[C@@H](CNC(=O)N=c1[n-]nc(-c2ccco2)s1)N(C)Cc1ccccc1 ZINC000523632835 516523805 /nfs/dbraw/zinc/52/38/05/516523805.db2.gz LPBXDMUNURSZPE-ZDUSSCGKSA-N -1 3 371.466 3.440 20 0 FGADHM Cc1cc(C)n(-c2ccc(CC(=O)N=c3cc(-c4ccncc4)[n-][nH]3)cc2)n1 ZINC000523774290 516575745 /nfs/dbraw/zinc/57/57/45/516575745.db2.gz MGHJFFTXAMCMQP-UHFFFAOYSA-N -1 3 372.432 3.455 20 0 FGADHM Cc1cnn(Cc2cc(C(=O)N=c3[nH][n-]c(C)c3-c3ccccc3)no2)c1 ZINC000535974389 516575783 /nfs/dbraw/zinc/57/57/83/516575783.db2.gz WRNPHFOMJRWLOR-UHFFFAOYSA-N -1 3 362.393 3.179 20 0 FGADHM CN1CC=C(CNC(=O)N=c2[n-]nc(C(C)(C)c3ccccc3)s2)CC1 ZINC000540557972 516617993 /nfs/dbraw/zinc/61/79/93/516617993.db2.gz LIGWZGSRHKSFQG-UHFFFAOYSA-N -1 3 371.510 3.247 20 0 FGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)c1c[nH]nc1-c1ccoc1 ZINC000513755891 516741588 /nfs/dbraw/zinc/74/15/88/516741588.db2.gz BWCCCSAKOVLCLX-UHFFFAOYSA-N -1 3 372.182 3.332 20 0 FGADHM O=C(N=c1[n-]nc(-c2ccsc2)s1)NC[C@H]1CCN1C1CCCC1 ZINC000528936320 516810402 /nfs/dbraw/zinc/81/04/02/516810402.db2.gz QHGNRBAIWGAOQG-CYBMUJFWSA-N -1 3 363.512 3.405 20 0 FGADHM CC[C@@H](C(=O)N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1)N(C)C ZINC000532813696 517157622 /nfs/dbraw/zinc/15/76/22/517157622.db2.gz HQKVZIBLTQRXIU-ZDUSSCGKSA-N -1 3 369.238 3.257 20 0 FGADHM COc1ccc(C2(C(=O)N=c3cc([C@H]4CCCO4)[n-][nH]3)CCC2)cc1OC ZINC000525968091 517262509 /nfs/dbraw/zinc/26/25/09/517262509.db2.gz ALYLKTBICBUWQQ-OAHLLOKOSA-N -1 3 371.437 3.339 20 0 FGADHM CCSc1n[n-]c(=NC(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)s1 ZINC000515320767 517296908 /nfs/dbraw/zinc/29/69/08/517296908.db2.gz WRRVUWAYFMJBAF-AAEUAGOBSA-N -1 3 365.528 3.463 20 0 FGADHM O=C(c1csc(=NC2CC2)[n-]1)N1CCC(CCCn2ccnc2)CC1 ZINC000542165445 517414621 /nfs/dbraw/zinc/41/46/21/517414621.db2.gz BHLAMVOTASZGPY-UHFFFAOYSA-N -1 3 359.499 3.247 20 0 FGADHM COc1cc(=NC(=O)C2(Cc3ccc(OC(F)(F)F)cc3)CC2)[n-]n1C ZINC000527120684 517512273 /nfs/dbraw/zinc/51/22/73/517512273.db2.gz YZBFPMJLIHHKIO-UHFFFAOYSA-N -1 3 369.343 3.289 20 0 FGADHM COc1nc(NC[C@H]2CCCN(C)[C@H]2c2cccs2)ccc1C(=O)[O-] ZINC000521050441 517593293 /nfs/dbraw/zinc/59/32/93/517593293.db2.gz OPPZAIUBPRYVHK-MLGOLLRUSA-N -1 3 361.467 3.345 20 0 FGADHM Cc1cc(C(=O)N=c2cc(-c3cccnc3)[n-][nH]2)c(C)n1[C@@H]1CCOC1 ZINC000530262747 517664443 /nfs/dbraw/zinc/66/44/43/517664443.db2.gz YYTBCGXZRLWZMY-OAHLLOKOSA-N -1 3 351.410 3.104 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@@H]2CCCc3nn(C)cc32)c1-c1ccc(F)cc1 ZINC000530276335 517674102 /nfs/dbraw/zinc/67/41/02/517674102.db2.gz HETYQVYORRKJOI-CQSZACIVSA-N -1 3 353.401 3.316 20 0 FGADHM Cc1cc(C)c(-c2cc(=NC(=O)CN3CCCCCC3=O)[nH][n-]2)cc1C ZINC000516396173 517680086 /nfs/dbraw/zinc/68/00/86/517680086.db2.gz ZSFDIFGAVUNDDJ-UHFFFAOYSA-N -1 3 354.454 3.343 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@H]2CCC(=O)[C@@H](C)C2)c1-c1ccc2c(c1)OCCO2 ZINC000535012156 518121354 /nfs/dbraw/zinc/12/13/54/518121354.db2.gz KYGCAVXTQNVTRD-FZMZJTMJSA-N -1 3 369.421 3.100 20 0 FGADHM CCN(CC)C[C@H](C)NC(=O)N=c1[n-]nc(Cc2ccc(F)cc2)s1 ZINC000517372978 518131484 /nfs/dbraw/zinc/13/14/84/518131484.db2.gz JVZDUCZYKVHFJI-LBPRGKRZSA-N -1 3 365.478 3.120 20 0 FGADHM O=C(N=c1[n-]nc([C@H]2CCCO2)s1)c1ccc(CN2CCCC2)cc1 ZINC000636352415 522939805 /nfs/dbraw/zinc/93/98/05/522939805.db2.gz JSTXKFXASBGMGT-OAHLLOKOSA-N -1 3 358.467 3.238 20 0 FGADHM Cc1cc(C(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)c(C)n1[C@@H]1CCCOC1 ZINC000628032370 523282213 /nfs/dbraw/zinc/28/22/13/523282213.db2.gz YBVNKZGMVPQLJL-RHSMWYFYSA-N -1 3 358.442 3.283 20 0 FGADHM CCC(=O)N1CC[C@@H](N=c2nc[n-]c3c(-c4ccccc4)nsc32)C1 ZINC000631166660 523431340 /nfs/dbraw/zinc/43/13/40/523431340.db2.gz KUXYPIVSDJYZEZ-CYBMUJFWSA-N -1 3 353.451 3.176 20 0 FGADHM Cn1ncc(C2CCC2)c1C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000622887663 523530051 /nfs/dbraw/zinc/53/00/51/523530051.db2.gz DCCYILGXILOMBA-UHFFFAOYSA-N -1 3 361.755 3.352 20 0 FGADHM CCCc1nccnc1[N-]C(=O)c1cc(-c2ccc3c(c2)CCO3)no1 ZINC000622965981 523587622 /nfs/dbraw/zinc/58/76/22/523587622.db2.gz FLQWHPCQORORCM-UHFFFAOYSA-N -1 3 350.378 3.271 20 0 FGADHM CCC[C@H](CCO)CNC(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482168545 561249501 /nfs/dbraw/zinc/24/95/01/561249501.db2.gz JWJYBNJYDLSIMK-LLVKDONJSA-N -1 3 369.263 3.017 20 0 FGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)C1C[C@H]2CC[C@@H](C1)C2=O ZINC000511337069 561865885 /nfs/dbraw/zinc/86/58/85/561865885.db2.gz DFNORYPQNVKHGA-ZACCUICWSA-N -1 3 362.227 3.041 20 0 FGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)c1cn2ccnc2s1 ZINC000511391120 561867634 /nfs/dbraw/zinc/86/76/34/561867634.db2.gz NJVXPFPFPMIYDT-UHFFFAOYSA-N -1 3 362.212 3.058 20 0 FGADHM Cc1cc(C)c2ncc(C(=O)N=c3cc([C@@H]4CCCOC4)[nH][nH]3)c([O-])c2c1 ZINC000473836657 561058576 /nfs/dbraw/zinc/05/85/76/561058576.db2.gz PDJCEUPRWVHVAY-CYBMUJFWSA-N -1 3 366.421 3.014 20 0 FGADHM CCOCCn1cc(C(=O)N=c2[nH][n-]c(C)c2-c2ccc(F)cc2)cn1 ZINC000530277599 562404934 /nfs/dbraw/zinc/40/49/34/562404934.db2.gz UQDHQEQOZKOEAR-UHFFFAOYSA-N -1 3 357.389 3.010 20 0 FGADHM CN1CC[C@@H](N=c2ccc(C(=O)NC3CCCC3)n[n-]2)[C@@H]1c1ccccc1 ZINC000535358145 562556688 /nfs/dbraw/zinc/55/66/88/562556688.db2.gz HVHSPIVIEYUAOK-XLIONFOSSA-N -1 3 365.481 3.006 20 0 FGADHM O=C(NCc1ccc([O-])c(Br)c1)N1CCCC(F)(F)CC1 ZINC000636942175 568216026 /nfs/dbraw/zinc/21/60/26/568216026.db2.gz FYYBTOKLEWIQLX-UHFFFAOYSA-N -1 3 363.202 3.486 20 0 FGADHM O=C(NCc1ccc([O-])c(Br)c1)N1CC[C@H]2CC[C@@H](C1)S2 ZINC000636943447 568216774 /nfs/dbraw/zinc/21/67/74/568216774.db2.gz MEPUEXJQIWXIJQ-NEPJUHHUSA-N -1 3 371.300 3.334 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1cc(Br)cc2cccnc21)C1CCC1 ZINC000672392475 568271824 /nfs/dbraw/zinc/27/18/24/568271824.db2.gz AWPYQANFLZKAND-SNVBAGLBSA-N -1 3 369.284 3.464 20 0 FGADHM COc1cccc(S(=O)(=O)[N-]C[C@H]2CCC[C@@H](C(F)(F)F)C2)c1F ZINC000655532752 568393592 /nfs/dbraw/zinc/39/35/92/568393592.db2.gz ISGCRGKUWYFFEO-WDEREUQCSA-N -1 3 369.380 3.481 20 0 FGADHM CO[C@@H](Cc1ccccc1)CS(=O)(=O)[N-]c1ccc2[nH]c(C)cc2c1 ZINC000643269106 568457218 /nfs/dbraw/zinc/45/72/18/568457218.db2.gz VNMRFACLQOBXCC-SFHVURJKSA-N -1 3 358.463 3.476 20 0 FGADHM Cc1ccc(Oc2ccc(NC(=O)c3ccc(-c4nnn[n-]4)cn3)cc2)nc1 ZINC000737366907 598823414 /nfs/dbraw/zinc/82/34/14/598823414.db2.gz ZAYIDJAJQOULSD-UHFFFAOYSA-N -1 3 373.376 3.010 20 0 FGADHM Cc1ccc(Oc2ccc(NC(=O)c3ccc(-c4nn[n-]n4)cn3)cc2)nc1 ZINC000737366907 598823416 /nfs/dbraw/zinc/82/34/16/598823416.db2.gz ZAYIDJAJQOULSD-UHFFFAOYSA-N -1 3 373.376 3.010 20 0 FGADHM CC[C@@H](OC(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1F ZINC000736382658 598823756 /nfs/dbraw/zinc/82/37/56/598823756.db2.gz NEPORKDZQSCSHH-MRXNPFEDSA-N -1 3 358.348 3.382 20 0 FGADHM CC[C@@H](OC(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1F ZINC000736382658 598823757 /nfs/dbraw/zinc/82/37/57/598823757.db2.gz NEPORKDZQSCSHH-MRXNPFEDSA-N -1 3 358.348 3.382 20 0 FGADHM C[C@]1(c2ccccc2)CCCN(C(=O)C=Cc2ccccc2-c2nnn[n-]2)C1 ZINC000736227428 598826999 /nfs/dbraw/zinc/82/69/99/598826999.db2.gz DGMOQQSJSCDSBY-MLUDITRGSA-N -1 3 373.460 3.460 20 0 FGADHM C[C@]1(c2ccccc2)CCCN(C(=O)C=Cc2ccccc2-c2nn[n-]n2)C1 ZINC000736227428 598827000 /nfs/dbraw/zinc/82/70/00/598827000.db2.gz DGMOQQSJSCDSBY-MLUDITRGSA-N -1 3 373.460 3.460 20 0 FGADHM Fc1ccc(CCNc2ncc(-c3nnn[n-]3)cc2Cl)c(Cl)c1 ZINC000737646880 598830454 /nfs/dbraw/zinc/83/04/54/598830454.db2.gz APUNLUCEQVZXQB-UHFFFAOYSA-N -1 3 353.188 3.362 20 0 FGADHM Fc1ccc(CCNc2ncc(-c3nn[n-]n3)cc2Cl)c(Cl)c1 ZINC000737646880 598830456 /nfs/dbraw/zinc/83/04/56/598830456.db2.gz APUNLUCEQVZXQB-UHFFFAOYSA-N -1 3 353.188 3.362 20 0 FGADHM O=C(C[C@H]1CCOC1)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737824513 598832705 /nfs/dbraw/zinc/83/27/05/598832705.db2.gz WSAPVVXOVNOLGR-CYBMUJFWSA-N -1 3 365.393 3.024 20 0 FGADHM O=C(C[C@H]1CCOC1)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737824513 598832706 /nfs/dbraw/zinc/83/27/06/598832706.db2.gz WSAPVVXOVNOLGR-CYBMUJFWSA-N -1 3 365.393 3.024 20 0 FGADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NC1C[C@H](C)C[C@@H](C)C1 ZINC000736222537 598838418 /nfs/dbraw/zinc/83/84/18/598838418.db2.gz DFWLTOUMPGKLKN-LBTNJELSSA-N -1 3 371.485 3.211 20 0 FGADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NC1C[C@H](C)C[C@@H](C)C1 ZINC000736222537 598838420 /nfs/dbraw/zinc/83/84/20/598838420.db2.gz DFWLTOUMPGKLKN-LBTNJELSSA-N -1 3 371.485 3.211 20 0 FGADHM Cc1ccc(C[C@H]2CCCN2C(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737333952 598838748 /nfs/dbraw/zinc/83/87/48/598838748.db2.gz DBGBXQOGHFEESG-GOSISDBHSA-N -1 3 362.437 3.414 20 0 FGADHM Cc1ccc(C[C@H]2CCCN2C(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737333952 598838751 /nfs/dbraw/zinc/83/87/51/598838751.db2.gz DBGBXQOGHFEESG-GOSISDBHSA-N -1 3 362.437 3.414 20 0 FGADHM Cc1nnc(N[C@H](C)c2ncc(-c3ccccc3)o2)c(-c2nnn[n-]2)c1C ZINC000737521845 598855268 /nfs/dbraw/zinc/85/52/68/598855268.db2.gz RPHXGGPYHNBFBH-GFCCVEGCSA-N -1 3 362.397 3.102 20 0 FGADHM Cc1nnc(N[C@H](C)c2ncc(-c3ccccc3)o2)c(-c2nn[n-]n2)c1C ZINC000737521845 598855269 /nfs/dbraw/zinc/85/52/69/598855269.db2.gz RPHXGGPYHNBFBH-GFCCVEGCSA-N -1 3 362.397 3.102 20 0 FGADHM C[C@@H]1CCCC[C@H]1CCNC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000736259967 598921949 /nfs/dbraw/zinc/92/19/49/598921949.db2.gz GLQQRDLTNXRRHG-OLZOCXBDSA-N -1 3 360.437 3.021 20 0 FGADHM C[C@@H]1CCCC[C@H]1CCNC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000736259967 598921951 /nfs/dbraw/zinc/92/19/51/598921951.db2.gz GLQQRDLTNXRRHG-OLZOCXBDSA-N -1 3 360.437 3.021 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N(CC(C)C)c1ccccc1 ZINC000737297397 598931621 /nfs/dbraw/zinc/93/16/21/598931621.db2.gz XDVRSAKJBDUREW-UHFFFAOYSA-N -1 3 371.466 3.026 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N(CC(C)C)c1ccccc1 ZINC000737297397 598931622 /nfs/dbraw/zinc/93/16/22/598931622.db2.gz XDVRSAKJBDUREW-UHFFFAOYSA-N -1 3 371.466 3.026 20 0 FGADHM CC(C)C[C@H]1CCCCCN1C(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000735794937 598943612 /nfs/dbraw/zinc/94/36/12/598943612.db2.gz IRAIVEWEERRVAX-NVXWUHKLSA-N -1 3 371.485 3.451 20 0 FGADHM C[C@@H]1C[C@H](C)N(C(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)C1 ZINC000736231244 598951445 /nfs/dbraw/zinc/95/14/45/598951445.db2.gz WMJWXOWCTOYMBX-KGLIPLIRSA-N -1 3 362.437 3.481 20 0 FGADHM c1cc(COc2cccc(NC[C@@H]3CCCOC3)c2)cc(-c2nnn[n-]2)c1 ZINC000823756712 607256122 /nfs/dbraw/zinc/25/61/22/607256122.db2.gz FSGLABWXTVLTQJ-INIZCTEOSA-N -1 3 365.437 3.284 20 0 FGADHM c1cc(COc2cccc(NC[C@@H]3CCCOC3)c2)cc(-c2nn[n-]n2)c1 ZINC000823756712 607256123 /nfs/dbraw/zinc/25/61/23/607256123.db2.gz FSGLABWXTVLTQJ-INIZCTEOSA-N -1 3 365.437 3.284 20 0 FGADHM CC(C)CC[C@@](C)(O)CNc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000735796329 598974584 /nfs/dbraw/zinc/97/45/84/598974584.db2.gz AAPLZJIXJZDXQD-OAHLLOKOSA-N -1 3 357.380 3.485 20 0 FGADHM Cc1cc(Oc2ncccc2-c2nnn[n-]2)ccc1NC(=O)CCC1CC1 ZINC000737280363 598990940 /nfs/dbraw/zinc/99/09/40/598990940.db2.gz QUORGIOPGLJLED-UHFFFAOYSA-N -1 3 364.409 3.491 20 0 FGADHM CC(C)c1ccc(S[C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735929001 599012914 /nfs/dbraw/zinc/01/29/14/599012914.db2.gz VKRHWVYDVQDVDN-INIZCTEOSA-N -1 3 353.451 3.309 20 0 FGADHM CC(C)c1ccc(S[C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735929001 599012916 /nfs/dbraw/zinc/01/29/16/599012916.db2.gz VKRHWVYDVQDVDN-INIZCTEOSA-N -1 3 353.451 3.309 20 0 FGADHM CC[C@H](NC(=S)N(C)Cc1ccc(-c2nnn[n-]2)cc1)c1cccs1 ZINC000736369214 599013907 /nfs/dbraw/zinc/01/39/07/599013907.db2.gz HAYAIOPQCYGNNG-AWEZNQCLSA-N -1 3 372.523 3.386 20 0 FGADHM CC[C@H](NC(=S)N(C)Cc1ccc(-c2nn[n-]n2)cc1)c1cccs1 ZINC000736369214 599013908 /nfs/dbraw/zinc/01/39/08/599013908.db2.gz HAYAIOPQCYGNNG-AWEZNQCLSA-N -1 3 372.523 3.386 20 0 FGADHM CSc1ccc(O[C@H](C)C(=O)OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000737190526 599016470 /nfs/dbraw/zinc/01/64/70/599016470.db2.gz HTQWZRTYTJCOIM-GFCCVEGCSA-N -1 3 370.434 3.099 20 0 FGADHM CSc1ccc(O[C@H](C)C(=O)OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000737190526 599016472 /nfs/dbraw/zinc/01/64/72/599016472.db2.gz HTQWZRTYTJCOIM-GFCCVEGCSA-N -1 3 370.434 3.099 20 0 FGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)NC1(c2cccc(Cl)c2)CC1 ZINC000738101998 599023364 /nfs/dbraw/zinc/02/33/64/599023364.db2.gz OIXGZXPJZMZLIC-UHFFFAOYSA-N -1 3 368.828 3.009 20 0 FGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)NC1(c2cccc(Cl)c2)CC1 ZINC000738101998 599023366 /nfs/dbraw/zinc/02/33/66/599023366.db2.gz OIXGZXPJZMZLIC-UHFFFAOYSA-N -1 3 368.828 3.009 20 0 FGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)C[C@@H](C)c1cccnc1 ZINC000735903992 599024383 /nfs/dbraw/zinc/02/43/83/599024383.db2.gz JWIAHCYCETZQCQ-CYBMUJFWSA-N -1 3 366.425 3.181 20 0 FGADHM Cc1ccccc1[C@H]1CN(c2c(-c3nnn[n-]3)cnc3ccccc32)CCO1 ZINC000822352346 599036590 /nfs/dbraw/zinc/03/65/90/599036590.db2.gz XMWAZYYFDCSVIN-LJQANCHMSA-N -1 3 372.432 3.301 20 0 FGADHM Cc1ccccc1[C@H]1CN(c2c(-c3nn[n-]n3)cnc3ccccc32)CCO1 ZINC000822352346 599036592 /nfs/dbraw/zinc/03/65/92/599036592.db2.gz XMWAZYYFDCSVIN-LJQANCHMSA-N -1 3 372.432 3.301 20 0 FGADHM C[C@@H]1c2ccsc2CCN1c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000736301429 599038844 /nfs/dbraw/zinc/03/88/44/599038844.db2.gz BLINTBXKUHSRID-MRVPVSSYSA-N -1 3 366.372 3.466 20 0 FGADHM C[C@@H]1c2ccsc2CCN1c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000736301429 599038847 /nfs/dbraw/zinc/03/88/47/599038847.db2.gz BLINTBXKUHSRID-MRVPVSSYSA-N -1 3 366.372 3.466 20 0 FGADHM C[C@@H]1CN(c2cccc(F)c2-c2nnn[n-]2)C[C@@H](c2ccc(F)cc2)O1 ZINC000820775547 599040027 /nfs/dbraw/zinc/04/00/27/599040027.db2.gz IWAZGTWEZXPCSC-BZNIZROVSA-N -1 3 357.364 3.111 20 0 FGADHM C[C@@H]1CN(c2cccc(F)c2-c2nn[n-]n2)C[C@@H](c2ccc(F)cc2)O1 ZINC000820775547 599040030 /nfs/dbraw/zinc/04/00/30/599040030.db2.gz IWAZGTWEZXPCSC-BZNIZROVSA-N -1 3 357.364 3.111 20 0 FGADHM CC1(C)[C@H](Nc2cc(-c3nnn[n-]3)c3ccccc3n2)[C@H]2CCCO[C@@H]21 ZINC000820585440 599043327 /nfs/dbraw/zinc/04/33/27/599043327.db2.gz NGCXLDQWMLFPHO-JLZZUVOBSA-N -1 3 350.426 3.030 20 0 FGADHM CC1(C)[C@H](Nc2cc(-c3nn[n-]n3)c3ccccc3n2)[C@H]2CCCO[C@@H]21 ZINC000820585440 599043329 /nfs/dbraw/zinc/04/33/29/599043329.db2.gz NGCXLDQWMLFPHO-JLZZUVOBSA-N -1 3 350.426 3.030 20 0 FGADHM Cc1cccc(C2(O)CCN(c3ccc(-c4nn[n-]n4)cc3F)CC2)c1C ZINC000822299770 599048092 /nfs/dbraw/zinc/04/80/92/599048092.db2.gz UTYPFUMSZXBCRF-UHFFFAOYSA-N -1 3 367.428 3.111 20 0 FGADHM CCN(CCC(F)(F)F)c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000736536424 599050759 /nfs/dbraw/zinc/05/07/59/599050759.db2.gz CULJLBMFFGJGGQ-UHFFFAOYSA-N -1 3 354.258 3.059 20 0 FGADHM CCN(CCC(F)(F)F)c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000736536424 599050762 /nfs/dbraw/zinc/05/07/62/599050762.db2.gz CULJLBMFFGJGGQ-UHFFFAOYSA-N -1 3 354.258 3.059 20 0 FGADHM C[C@@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(=O)N[C@@H](C)c1ccccc1 ZINC000736194224 599066750 /nfs/dbraw/zinc/06/67/50/599066750.db2.gz YDYLEXCVTXELBR-NWDGAFQWSA-N -1 3 371.441 3.364 20 0 FGADHM C[C@@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(=O)N[C@@H](C)c1ccccc1 ZINC000736194224 599066753 /nfs/dbraw/zinc/06/67/53/599066753.db2.gz YDYLEXCVTXELBR-NWDGAFQWSA-N -1 3 371.441 3.364 20 0 FGADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H](C)c1ccco1 ZINC000735830163 599070716 /nfs/dbraw/zinc/07/07/16/599070716.db2.gz SMGRCHCEZOPCGA-CQSZACIVSA-N -1 3 353.426 3.248 20 0 FGADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H](C)c1ccco1 ZINC000735830163 599070719 /nfs/dbraw/zinc/07/07/19/599070719.db2.gz SMGRCHCEZOPCGA-CQSZACIVSA-N -1 3 353.426 3.248 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000736633481 599072537 /nfs/dbraw/zinc/07/25/37/599072537.db2.gz BRSSZHSGWGDQSL-LSDHHAIUSA-N -1 3 355.442 3.420 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000736633481 599072539 /nfs/dbraw/zinc/07/25/39/599072539.db2.gz BRSSZHSGWGDQSL-LSDHHAIUSA-N -1 3 355.442 3.420 20 0 FGADHM COc1ccccc1O[C@@H](C)CNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000821904470 599077248 /nfs/dbraw/zinc/07/72/48/599077248.db2.gz WCPNHCXQABTZOL-NSHDSACASA-N -1 3 359.817 3.408 20 0 FGADHM COc1ccccc1O[C@@H](C)CNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000821904470 599077251 /nfs/dbraw/zinc/07/72/51/599077251.db2.gz WCPNHCXQABTZOL-NSHDSACASA-N -1 3 359.817 3.408 20 0 FGADHM C[C@@H](CNc1nc2c(cc1-c1nnn[n-]1)CCC2)Sc1ccccc1 ZINC000820280969 599080123 /nfs/dbraw/zinc/08/01/23/599080123.db2.gz QGOHBEHJDXOHOD-LBPRGKRZSA-N -1 3 352.467 3.343 20 0 FGADHM C[C@@H](CNc1nc2c(cc1-c1nn[n-]n1)CCC2)Sc1ccccc1 ZINC000820280969 599080125 /nfs/dbraw/zinc/08/01/25/599080125.db2.gz QGOHBEHJDXOHOD-LBPRGKRZSA-N -1 3 352.467 3.343 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1CN1CCSC[C@@H]1c1ccccc1 ZINC000737639009 599081699 /nfs/dbraw/zinc/08/16/99/599081699.db2.gz MIGPCXYJUIKJHM-QGZVFWFLSA-N -1 3 355.442 3.296 20 0 FGADHM CO[C@H](CNc1nc2c(cc1-c1nnn[n-]1)CCC2)c1cccc(Cl)c1 ZINC000821678942 599090270 /nfs/dbraw/zinc/09/02/70/599090270.db2.gz UWVOQYWGZZDSCF-MRXNPFEDSA-N -1 3 370.844 3.203 20 0 FGADHM CO[C@H](CNc1nc2c(cc1-c1nn[n-]n1)CCC2)c1cccc(Cl)c1 ZINC000821678942 599090273 /nfs/dbraw/zinc/09/02/73/599090273.db2.gz UWVOQYWGZZDSCF-MRXNPFEDSA-N -1 3 370.844 3.203 20 0 FGADHM Cc1cc(C)c(-c2nnn[n-]2)c(NC[C@H](C)Oc2ccc(Cl)cc2)n1 ZINC000822193059 599093434 /nfs/dbraw/zinc/09/34/34/599093434.db2.gz JWGMAUYFMNERSE-LBPRGKRZSA-N -1 3 358.833 3.411 20 0 FGADHM Cc1cc(C)c(-c2nn[n-]n2)c(NC[C@H](C)Oc2ccc(Cl)cc2)n1 ZINC000822193059 599093438 /nfs/dbraw/zinc/09/34/38/599093438.db2.gz JWGMAUYFMNERSE-LBPRGKRZSA-N -1 3 358.833 3.411 20 0 FGADHM C[C@@H](CNC(=O)CSc1ccc(-c2nnn[n-]2)cc1)Cc1cccs1 ZINC000736014342 599095482 /nfs/dbraw/zinc/09/54/82/599095482.db2.gz MAGQHYLVJGPVRR-GFCCVEGCSA-N -1 3 373.507 3.015 20 0 FGADHM C[C@@H](CNC(=O)CSc1ccc(-c2nn[n-]n2)cc1)Cc1cccs1 ZINC000736014342 599095483 /nfs/dbraw/zinc/09/54/83/599095483.db2.gz MAGQHYLVJGPVRR-GFCCVEGCSA-N -1 3 373.507 3.015 20 0 FGADHM Cc1cccnc1[C@H](NC(=O)Nc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000737434575 599102282 /nfs/dbraw/zinc/10/22/82/599102282.db2.gz KWVCJPBLUISMHT-OAHLLOKOSA-N -1 3 351.414 3.089 20 0 FGADHM Cc1cccnc1[C@H](NC(=O)Nc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000737434575 599102284 /nfs/dbraw/zinc/10/22/84/599102284.db2.gz KWVCJPBLUISMHT-OAHLLOKOSA-N -1 3 351.414 3.089 20 0 FGADHM Cc1nc(-c2ccccc2)oc1C(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000737463646 599117964 /nfs/dbraw/zinc/11/79/64/599117964.db2.gz XZYUKOKBVMMVTR-UHFFFAOYSA-N -1 3 374.404 3.102 20 0 FGADHM Cc1nc(-c2ccccc2)oc1C(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000737463646 599117966 /nfs/dbraw/zinc/11/79/66/599117966.db2.gz XZYUKOKBVMMVTR-UHFFFAOYSA-N -1 3 374.404 3.102 20 0 FGADHM O=S(=O)(Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000823566544 599122559 /nfs/dbraw/zinc/12/25/59/599122559.db2.gz IXTZSIGENOJPLI-UHFFFAOYSA-N -1 3 369.233 3.147 20 0 FGADHM O=S(=O)(Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000823566544 599122562 /nfs/dbraw/zinc/12/25/62/599122562.db2.gz IXTZSIGENOJPLI-UHFFFAOYSA-N -1 3 369.233 3.147 20 0 FGADHM Cc1cc(F)cc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)c1 ZINC000822203078 599151158 /nfs/dbraw/zinc/15/11/58/599151158.db2.gz CXUNQNIUYLVUAD-UHFFFAOYSA-N -1 3 363.299 3.168 20 0 FGADHM Cc1cc(F)cc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)c1 ZINC000822203078 599151160 /nfs/dbraw/zinc/15/11/60/599151160.db2.gz CXUNQNIUYLVUAD-UHFFFAOYSA-N -1 3 363.299 3.168 20 0 FGADHM CC[C@H](C)C[C@@H](C)NC(=O)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC000820870779 599159983 /nfs/dbraw/zinc/15/99/83/599159983.db2.gz ZHQPGSGJASFUKH-VBQJREDUSA-N -1 3 359.474 3.211 20 0 FGADHM CC[C@H](C)C[C@@H](C)NC(=O)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(C)C ZINC000820870779 599159984 /nfs/dbraw/zinc/15/99/84/599159984.db2.gz ZHQPGSGJASFUKH-VBQJREDUSA-N -1 3 359.474 3.211 20 0 FGADHM Cc1cc(C)cc(C[C@H](C)NC(=S)Nc2ccccc2-c2nnn[n-]2)c1 ZINC000737253935 599176746 /nfs/dbraw/zinc/17/67/46/599176746.db2.gz VFDDWMFGCDDHSX-AWEZNQCLSA-N -1 3 366.494 3.401 20 0 FGADHM Cc1cc(C)cc(C[C@H](C)NC(=S)Nc2ccccc2-c2nn[n-]n2)c1 ZINC000737253935 599176749 /nfs/dbraw/zinc/17/67/49/599176749.db2.gz VFDDWMFGCDDHSX-AWEZNQCLSA-N -1 3 366.494 3.401 20 0 FGADHM C[C@@H](NC(=O)[C@@H]1CCSc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000736102730 599182120 /nfs/dbraw/zinc/18/21/20/599182120.db2.gz UNEPGMBSNAUXIU-MLGOLLRUSA-N -1 3 365.462 3.324 20 0 FGADHM C[C@@H](NC(=O)[C@@H]1CCSc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000736102730 599182123 /nfs/dbraw/zinc/18/21/23/599182123.db2.gz UNEPGMBSNAUXIU-MLGOLLRUSA-N -1 3 365.462 3.324 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NC1(c2nccs2)CCCC1 ZINC000737293658 599188058 /nfs/dbraw/zinc/18/80/58/599188058.db2.gz HIAFSRUJDLZBAW-UHFFFAOYSA-N -1 3 369.454 3.223 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NC1(c2nccs2)CCCC1 ZINC000737293658 599188060 /nfs/dbraw/zinc/18/80/60/599188060.db2.gz HIAFSRUJDLZBAW-UHFFFAOYSA-N -1 3 369.454 3.223 20 0 FGADHM CN(C(=O)c1cc2cccc(F)c2o1)c1ccc(-c2nnn[n-]2)cc1F ZINC000736749821 599187626 /nfs/dbraw/zinc/18/76/26/599187626.db2.gz SNBXDYVBNYJASN-UHFFFAOYSA-N -1 3 355.304 3.168 20 0 FGADHM CN(C(=O)c1cc2cccc(F)c2o1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736749821 599187629 /nfs/dbraw/zinc/18/76/29/599187629.db2.gz SNBXDYVBNYJASN-UHFFFAOYSA-N -1 3 355.304 3.168 20 0 FGADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1ncc(C(C)(C)C)s1 ZINC000820550820 599194110 /nfs/dbraw/zinc/19/41/10/599194110.db2.gz ZFLNBIAVYJFJRW-JTQLQIEISA-N -1 3 372.454 3.027 20 0 FGADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1ncc(C(C)(C)C)s1 ZINC000820550820 599194111 /nfs/dbraw/zinc/19/41/11/599194111.db2.gz ZFLNBIAVYJFJRW-JTQLQIEISA-N -1 3 372.454 3.027 20 0 FGADHM CCC[C@H]1[C@@H](C)CCCN1C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000821033686 599194119 /nfs/dbraw/zinc/19/41/19/599194119.db2.gz DJTLDNOZCKRMJL-BBRMVZONSA-N -1 3 359.499 3.386 20 0 FGADHM CCC[C@H]1[C@@H](C)CCCN1C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000821033686 599194120 /nfs/dbraw/zinc/19/41/20/599194120.db2.gz DJTLDNOZCKRMJL-BBRMVZONSA-N -1 3 359.499 3.386 20 0 FGADHM CCOC(=O)c1ccc(-c2nnn[n-]2)c(SC[C@@H](C)c2ccccc2)n1 ZINC000736603355 599192596 /nfs/dbraw/zinc/19/25/96/599192596.db2.gz OBAXSDNUVCFEBN-GFCCVEGCSA-N -1 3 369.450 3.334 20 0 FGADHM CCOC(=O)c1ccc(-c2nn[n-]n2)c(SC[C@@H](C)c2ccccc2)n1 ZINC000736603355 599192597 /nfs/dbraw/zinc/19/25/97/599192597.db2.gz OBAXSDNUVCFEBN-GFCCVEGCSA-N -1 3 369.450 3.334 20 0 FGADHM CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000821034056 599195298 /nfs/dbraw/zinc/19/52/98/599195298.db2.gz ICSWKGMKHUUEMH-JKIFEVAISA-N -1 3 357.458 3.061 20 0 FGADHM CCc1cnc(NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)s1 ZINC000821499030 599195477 /nfs/dbraw/zinc/19/54/77/599195477.db2.gz BHHYCLOQPHMUFU-UHFFFAOYSA-N -1 3 372.454 3.073 20 0 FGADHM CCc1cnc(NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)s1 ZINC000821499030 599195478 /nfs/dbraw/zinc/19/54/78/599195478.db2.gz BHHYCLOQPHMUFU-UHFFFAOYSA-N -1 3 372.454 3.073 20 0 FGADHM CCCC[C@@H](CC)CC(=O)N(CCOC)c1ccc(-c2nnn[n-]2)cc1 ZINC000736436978 599204969 /nfs/dbraw/zinc/20/49/69/599204969.db2.gz BWVMBYISLBDHQG-OAHLLOKOSA-N -1 3 359.474 3.453 20 0 FGADHM CCCC[C@@H](CC)CC(=O)N(CCOC)c1ccc(-c2nn[n-]n2)cc1 ZINC000736436978 599204970 /nfs/dbraw/zinc/20/49/70/599204970.db2.gz BWVMBYISLBDHQG-OAHLLOKOSA-N -1 3 359.474 3.453 20 0 FGADHM COCCCCCSCC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000736977739 599210074 /nfs/dbraw/zinc/21/00/74/599210074.db2.gz BWHSINMRKFCZCZ-UHFFFAOYSA-N -1 3 369.878 3.009 20 0 FGADHM COCCCCCSCC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000736977739 599210077 /nfs/dbraw/zinc/21/00/77/599210077.db2.gz BWHSINMRKFCZCZ-UHFFFAOYSA-N -1 3 369.878 3.009 20 0 FGADHM CC(C)[C@@H](Cc1ccc(F)cc1)N(C)C(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820021061 599210608 /nfs/dbraw/zinc/21/06/08/599210608.db2.gz OXEWQAYJSVLPKZ-GOSISDBHSA-N -1 3 367.428 3.345 20 0 FGADHM CC(C)[C@@H](Cc1ccc(F)cc1)N(C)C(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820021061 599210610 /nfs/dbraw/zinc/21/06/10/599210610.db2.gz OXEWQAYJSVLPKZ-GOSISDBHSA-N -1 3 367.428 3.345 20 0 FGADHM Cc1cc(F)cc2[nH]c(C(=O)OCc3ccc(-c4nnn[n-]4)cc3)cc21 ZINC000737263126 599216566 /nfs/dbraw/zinc/21/65/66/599216566.db2.gz LDLJUPRUHRNHGE-UHFFFAOYSA-N -1 3 351.341 3.153 20 0 FGADHM Cc1cc(F)cc2[nH]c(C(=O)OCc3ccc(-c4nn[n-]n4)cc3)cc21 ZINC000737263126 599216568 /nfs/dbraw/zinc/21/65/68/599216568.db2.gz LDLJUPRUHRNHGE-UHFFFAOYSA-N -1 3 351.341 3.153 20 0 FGADHM CC[C@@H](OC)C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000820939485 599218129 /nfs/dbraw/zinc/21/81/29/599218129.db2.gz VQGYRSXQXFEMNP-CQSZACIVSA-N -1 3 371.372 3.162 20 0 FGADHM CC[C@@H](OC)C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000820939485 599218132 /nfs/dbraw/zinc/21/81/32/599218132.db2.gz VQGYRSXQXFEMNP-CQSZACIVSA-N -1 3 371.372 3.162 20 0 FGADHM CC[C@@H]1CCCN(C(=O)[C@@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)CC1 ZINC000736400142 599224513 /nfs/dbraw/zinc/22/45/13/599224513.db2.gz MJLQGYIQSSKCIV-QAPCUYQASA-N -1 3 371.485 3.309 20 0 FGADHM CC[C@@H]1CCCN(C(=O)[C@@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)CC1 ZINC000736400142 599224515 /nfs/dbraw/zinc/22/45/15/599224515.db2.gz MJLQGYIQSSKCIV-QAPCUYQASA-N -1 3 371.485 3.309 20 0 FGADHM CCOc1cccc(NC(=S)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821431108 599225444 /nfs/dbraw/zinc/22/54/44/599225444.db2.gz MLPRULJMCLZNHD-LBPRGKRZSA-N -1 3 368.466 3.313 20 0 FGADHM CCOc1cccc(NC(=S)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821431108 599225445 /nfs/dbraw/zinc/22/54/45/599225445.db2.gz MLPRULJMCLZNHD-LBPRGKRZSA-N -1 3 368.466 3.313 20 0 FGADHM O=C(Nc1cccc(C(F)(F)F)c1)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000823364006 607262473 /nfs/dbraw/zinc/26/24/73/607262473.db2.gz WDPYCTJKIQWWCX-UHFFFAOYSA-N -1 3 368.706 3.186 20 0 FGADHM O=C(Nc1cccc(C(F)(F)F)c1)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000823364006 607262474 /nfs/dbraw/zinc/26/24/74/607262474.db2.gz WDPYCTJKIQWWCX-UHFFFAOYSA-N -1 3 368.706 3.186 20 0 FGADHM C[S@@](=O)Cc1ccc(Cl)c(NCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737173763 599232927 /nfs/dbraw/zinc/23/29/27/599232927.db2.gz PTLHXUZRPMUCTO-XMMPIXPASA-N -1 3 361.858 3.011 20 0 FGADHM C[S@@](=O)Cc1ccc(Cl)c(NCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737173763 599232930 /nfs/dbraw/zinc/23/29/30/599232930.db2.gz PTLHXUZRPMUCTO-XMMPIXPASA-N -1 3 361.858 3.011 20 0 FGADHM CS[C@@H]1CC[C@H](NC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000821951278 599228151 /nfs/dbraw/zinc/22/81/51/599228151.db2.gz VVSSHAGYSZMUAW-WCBMZHEXSA-N -1 3 368.919 3.091 20 0 FGADHM CS[C@@H]1CC[C@H](NC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000821951278 599228153 /nfs/dbraw/zinc/22/81/53/599228153.db2.gz VVSSHAGYSZMUAW-WCBMZHEXSA-N -1 3 368.919 3.091 20 0 FGADHM CCc1ccccc1NC(=S)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821497732 599239531 /nfs/dbraw/zinc/23/95/31/599239531.db2.gz YNRURTAWFBOEBX-LBPRGKRZSA-N -1 3 352.467 3.477 20 0 FGADHM CCc1ccccc1NC(=S)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821497732 599239533 /nfs/dbraw/zinc/23/95/33/599239533.db2.gz YNRURTAWFBOEBX-LBPRGKRZSA-N -1 3 352.467 3.477 20 0 FGADHM CC[C@@H](Cc1ccccc1)N(C)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000820913688 599240494 /nfs/dbraw/zinc/24/04/94/599240494.db2.gz JJIFPJRXBDSQLJ-KRWDZBQOSA-N -1 3 350.426 3.352 20 0 FGADHM CC[C@@H](Cc1ccccc1)N(C)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000820913688 599240496 /nfs/dbraw/zinc/24/04/96/599240496.db2.gz JJIFPJRXBDSQLJ-KRWDZBQOSA-N -1 3 350.426 3.352 20 0 FGADHM CCC(CC)c1cc(CNC(=O)Nc2ccc(-c3nnn[n-]3)cc2)on1 ZINC000820897498 599240585 /nfs/dbraw/zinc/24/05/85/599240585.db2.gz HJFHGMYCSSZJHM-UHFFFAOYSA-N -1 3 355.402 3.080 20 0 FGADHM CCC(CC)c1cc(CNC(=O)Nc2ccc(-c3nn[n-]n3)cc2)on1 ZINC000820897498 599240587 /nfs/dbraw/zinc/24/05/87/599240587.db2.gz HJFHGMYCSSZJHM-UHFFFAOYSA-N -1 3 355.402 3.080 20 0 FGADHM Cc1c(NC(=O)C=Cc2ccc3ccccc3n2)cccc1-c1nnn[n-]1 ZINC000822068703 607270693 /nfs/dbraw/zinc/27/06/93/607270693.db2.gz TZXHVHNJXXGIOG-VAWYXSNFSA-N -1 3 356.389 3.375 20 0 FGADHM Cc1c(NC(=O)C=Cc2ccc3ccccc3n2)cccc1-c1nn[n-]n1 ZINC000822068703 607270694 /nfs/dbraw/zinc/27/06/94/607270694.db2.gz TZXHVHNJXXGIOG-VAWYXSNFSA-N -1 3 356.389 3.375 20 0 FGADHM Cc1c(NC(=O)Cc2c[nH]c3cc(Cl)ccc23)cccc1-c1nnn[n-]1 ZINC000822076743 607270848 /nfs/dbraw/zinc/27/08/48/607270848.db2.gz RMUKLERDSLZQPP-UHFFFAOYSA-N -1 3 366.812 3.491 20 0 FGADHM Cc1c(NC(=O)Cc2c[nH]c3cc(Cl)ccc23)cccc1-c1nn[n-]n1 ZINC000822076743 607270849 /nfs/dbraw/zinc/27/08/49/607270849.db2.gz RMUKLERDSLZQPP-UHFFFAOYSA-N -1 3 366.812 3.491 20 0 FGADHM COc1ccc2oc(C(=O)Nc3cccc(-c4nnn[n-]4)c3C)c(C)c2c1 ZINC000821854865 607271567 /nfs/dbraw/zinc/27/15/67/607271567.db2.gz YSBOEJZSSGWERV-UHFFFAOYSA-N -1 3 363.377 3.491 20 0 FGADHM COc1ccc2oc(C(=O)Nc3cccc(-c4nn[n-]n4)c3C)c(C)c2c1 ZINC000821854865 607271568 /nfs/dbraw/zinc/27/15/68/607271568.db2.gz YSBOEJZSSGWERV-UHFFFAOYSA-N -1 3 363.377 3.491 20 0 FGADHM Cc1c(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)cnn1-c1ccc(C)cc1 ZINC000822225350 607271791 /nfs/dbraw/zinc/27/17/91/607271791.db2.gz ZQTTXULXDMQJAO-UHFFFAOYSA-N -1 3 373.420 3.230 20 0 FGADHM Cc1c(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)cnn1-c1ccc(C)cc1 ZINC000822225350 607271792 /nfs/dbraw/zinc/27/17/92/607271792.db2.gz ZQTTXULXDMQJAO-UHFFFAOYSA-N -1 3 373.420 3.230 20 0 FGADHM O=C([O-])Cc1cccc(NC(=O)NC[C@@H](c2cccs2)N2CCCC2)c1 ZINC000738626870 597184189 /nfs/dbraw/zinc/18/41/89/597184189.db2.gz XOTMMSIGCOXOTH-INIZCTEOSA-N -1 3 373.478 3.334 20 0 FGADHM CN(C(=O)C=Cc1ccnc2ccccc12)c1cccc(-c2nnn[n-]2)c1 ZINC000736733591 599248811 /nfs/dbraw/zinc/24/88/11/599248811.db2.gz VZLFBBKMGYAKRI-MDZDMXLPSA-N -1 3 356.389 3.091 20 0 FGADHM CN(C(=O)C=Cc1ccnc2ccccc12)c1cccc(-c2nn[n-]n2)c1 ZINC000736733591 599248813 /nfs/dbraw/zinc/24/88/13/599248813.db2.gz VZLFBBKMGYAKRI-MDZDMXLPSA-N -1 3 356.389 3.091 20 0 FGADHM Cc1cccc([C@@H](C)CNC(=O)Nc2cccc(-c3nnn[n-]3)c2C)c1 ZINC000822288914 607282746 /nfs/dbraw/zinc/28/27/46/607282746.db2.gz NAMYABLZIJESSU-ZDUSSCGKSA-N -1 3 350.426 3.409 20 0 FGADHM Cc1cccc([C@@H](C)CNC(=O)Nc2cccc(-c3nn[n-]n3)c2C)c1 ZINC000822288914 607282747 /nfs/dbraw/zinc/28/27/47/607282747.db2.gz NAMYABLZIJESSU-ZDUSSCGKSA-N -1 3 350.426 3.409 20 0 FGADHM CC[C@H](Cc1ccccc1)NC(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000820916164 607282837 /nfs/dbraw/zinc/28/28/37/607282837.db2.gz ZWQZYUXENOPFQS-OAHLLOKOSA-N -1 3 350.426 3.318 20 0 FGADHM CC[C@H](Cc1ccccc1)NC(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000820916164 607282838 /nfs/dbraw/zinc/28/28/38/607282838.db2.gz ZWQZYUXENOPFQS-OAHLLOKOSA-N -1 3 350.426 3.318 20 0 FGADHM Cc1c(NC(=O)NC[C@H](C)c2ccc(F)cc2F)cccc1-c1nnn[n-]1 ZINC000822097554 607288446 /nfs/dbraw/zinc/28/84/46/607288446.db2.gz ZZDLYNWPGPDDSY-JTQLQIEISA-N -1 3 372.379 3.379 20 0 FGADHM Cc1c(NC(=O)NC[C@H](C)c2ccc(F)cc2F)cccc1-c1nn[n-]n1 ZINC000822097554 607288447 /nfs/dbraw/zinc/28/84/47/607288447.db2.gz ZZDLYNWPGPDDSY-JTQLQIEISA-N -1 3 372.379 3.379 20 0 FGADHM Cc1c(NC(=O)N2CCc3[nH]c4ccccc4c3C2)cccc1-c1nnn[n-]1 ZINC000822091131 607289230 /nfs/dbraw/zinc/28/92/30/607289230.db2.gz OQHRZAXRJVYRLN-UHFFFAOYSA-N -1 3 373.420 3.247 20 0 FGADHM Cc1c(NC(=O)N2CCc3[nH]c4ccccc4c3C2)cccc1-c1nn[n-]n1 ZINC000822091131 607289231 /nfs/dbraw/zinc/28/92/31/607289231.db2.gz OQHRZAXRJVYRLN-UHFFFAOYSA-N -1 3 373.420 3.247 20 0 FGADHM O=C([O-])Cc1ccccc1NC(=O)N1CCN(CC2CCCCC2)CC1 ZINC000819608817 597328352 /nfs/dbraw/zinc/32/83/52/597328352.db2.gz CJWVNIGUNMKDNM-UHFFFAOYSA-N -1 3 359.470 3.044 20 0 FGADHM Fc1ccccc1CNc1c(-c2nnn[n-]2)cnc2ccc(Cl)cc21 ZINC000737670382 599256577 /nfs/dbraw/zinc/25/65/77/599256577.db2.gz VMJFMOHCLWHXLW-UHFFFAOYSA-N -1 3 354.776 3.241 20 0 FGADHM Fc1ccccc1CNc1c(-c2nn[n-]n2)cnc2ccc(Cl)cc21 ZINC000737670382 599256578 /nfs/dbraw/zinc/25/65/78/599256578.db2.gz VMJFMOHCLWHXLW-UHFFFAOYSA-N -1 3 354.776 3.241 20 0 FGADHM CCS[C@H]1CCC[C@H](NC(=O)Nc2cccc(-c3nnn[n-]3)c2C)C1 ZINC000821456635 607285363 /nfs/dbraw/zinc/28/53/63/607285363.db2.gz RIPXRWHDRHYXLU-STQMWFEESA-N -1 3 360.487 3.361 20 0 FGADHM CCS[C@H]1CCC[C@H](NC(=O)Nc2cccc(-c3nn[n-]n3)c2C)C1 ZINC000821456635 607285364 /nfs/dbraw/zinc/28/53/64/607285364.db2.gz RIPXRWHDRHYXLU-STQMWFEESA-N -1 3 360.487 3.361 20 0 FGADHM C[C@H](NC(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820357703 599262196 /nfs/dbraw/zinc/26/21/96/599262196.db2.gz IURWIEDMOVVILZ-GUDXXQAFSA-N -1 3 354.458 3.196 20 0 FGADHM C[C@H](NC(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820357703 599262199 /nfs/dbraw/zinc/26/21/99/599262199.db2.gz IURWIEDMOVVILZ-GUDXXQAFSA-N -1 3 354.458 3.196 20 0 FGADHM Cc1cc(CNc2c(-c3nnn[n-]3)cnc3c(F)ccc(F)c32)ccc1F ZINC000737265571 599262818 /nfs/dbraw/zinc/26/28/18/599262818.db2.gz XSXSOEYGIWVZBR-UHFFFAOYSA-N -1 3 370.338 3.175 20 0 FGADHM Cc1cc(CNc2c(-c3nn[n-]n3)cnc3c(F)ccc(F)c32)ccc1F ZINC000737265571 599262819 /nfs/dbraw/zinc/26/28/19/599262819.db2.gz XSXSOEYGIWVZBR-UHFFFAOYSA-N -1 3 370.338 3.175 20 0 FGADHM CN(Cc1ccc(F)cc1F)c1c(-c2nnn[n-]2)cnc2ccccc21 ZINC000736819726 599264814 /nfs/dbraw/zinc/26/48/14/599264814.db2.gz OAXOHQJUVJYMMS-UHFFFAOYSA-N -1 3 352.348 3.330 20 0 FGADHM CN(Cc1ccc(F)cc1F)c1c(-c2nn[n-]n2)cnc2ccccc21 ZINC000736819726 599264817 /nfs/dbraw/zinc/26/48/17/599264817.db2.gz OAXOHQJUVJYMMS-UHFFFAOYSA-N -1 3 352.348 3.330 20 0 FGADHM FC(F)(F)c1cc(N(Cc2cccnc2)C2CC2)ccc1-c1nnn[n-]1 ZINC000822723905 607303880 /nfs/dbraw/zinc/30/38/80/607303880.db2.gz SHENEQBHLNAVPY-UHFFFAOYSA-N -1 3 360.343 3.450 20 0 FGADHM FC(F)(F)c1cc(N(Cc2cccnc2)C2CC2)ccc1-c1nn[n-]n1 ZINC000822723905 607303881 /nfs/dbraw/zinc/30/38/81/607303881.db2.gz SHENEQBHLNAVPY-UHFFFAOYSA-N -1 3 360.343 3.450 20 0 FGADHM Cc1cccc(CNc2c(-c3nnn[n-]3)cnc3c(F)ccc(F)c32)c1 ZINC000737393293 599268079 /nfs/dbraw/zinc/26/80/79/599268079.db2.gz HIZOGPSWVYTXSW-UHFFFAOYSA-N -1 3 352.348 3.036 20 0 FGADHM Cc1cccc(CNc2c(-c3nn[n-]n3)cnc3c(F)ccc(F)c32)c1 ZINC000737393293 599268080 /nfs/dbraw/zinc/26/80/80/599268080.db2.gz HIZOGPSWVYTXSW-UHFFFAOYSA-N -1 3 352.348 3.036 20 0 FGADHM Cc1cccc(O[C@@H](C)CNC(=O)Nc2cc(-c3nnn[n-]3)ccc2C)c1 ZINC000822327382 599271210 /nfs/dbraw/zinc/27/12/10/599271210.db2.gz HJUHGWOMWWOCFG-AWEZNQCLSA-N -1 3 366.425 3.073 20 0 FGADHM Cc1cccc(O[C@@H](C)CNC(=O)Nc2cc(-c3nn[n-]n3)ccc2C)c1 ZINC000822327382 599271212 /nfs/dbraw/zinc/27/12/12/599271212.db2.gz HJUHGWOMWWOCFG-AWEZNQCLSA-N -1 3 366.425 3.073 20 0 FGADHM CCCCCC[C@H](C)CC(=O)Nc1nc2n(c1-c1nnn[n-]1)CCS2 ZINC000736444657 599296589 /nfs/dbraw/zinc/29/65/89/599296589.db2.gz IBFDPCCNCVROBR-NSHDSACASA-N -1 3 363.491 3.104 20 0 FGADHM CCCCCC[C@H](C)CC(=O)Nc1nc2n(c1-c1nn[n-]n1)CCS2 ZINC000736444657 599296591 /nfs/dbraw/zinc/29/65/91/599296591.db2.gz IBFDPCCNCVROBR-NSHDSACASA-N -1 3 363.491 3.104 20 0 FGADHM CCC[C@H]1[C@H](C)CCCN1C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC000821033483 599273524 /nfs/dbraw/zinc/27/35/24/599273524.db2.gz BTLIWLNSUHWKCC-DOMZBBRYSA-N -1 3 358.446 3.308 20 0 FGADHM CCC[C@H]1[C@H](C)CCCN1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC000821033483 599273527 /nfs/dbraw/zinc/27/35/27/599273527.db2.gz BTLIWLNSUHWKCC-DOMZBBRYSA-N -1 3 358.446 3.308 20 0 FGADHM c1nc2ccc(-c3nnn[n-]3)cn2c1CNc1ccc2nc(C3CC3)oc2c1 ZINC000823767797 607319030 /nfs/dbraw/zinc/31/90/30/607319030.db2.gz XJOSNRDPCBDSLE-UHFFFAOYSA-N -1 3 372.392 3.145 20 0 FGADHM c1nc2ccc(-c3nn[n-]n3)cn2c1CNc1ccc2nc(C3CC3)oc2c1 ZINC000823767797 607319031 /nfs/dbraw/zinc/31/90/31/607319031.db2.gz XJOSNRDPCBDSLE-UHFFFAOYSA-N -1 3 372.392 3.145 20 0 FGADHM CC(C)(Cc1ccccc1)C(=O)OCc1cc(-c2nnn[n-]2)ccc1F ZINC000735671493 599277954 /nfs/dbraw/zinc/27/79/54/599277954.db2.gz XABSECAKDLLILL-UHFFFAOYSA-N -1 3 354.385 3.318 20 0 FGADHM CC(C)(Cc1ccccc1)C(=O)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000735671493 599277957 /nfs/dbraw/zinc/27/79/57/599277957.db2.gz XABSECAKDLLILL-UHFFFAOYSA-N -1 3 354.385 3.318 20 0 FGADHM O=C(C=Cc1ccnc2ccccc12)OCc1cccc(-c2nnn[n-]2)c1 ZINC000737807528 599278514 /nfs/dbraw/zinc/27/85/14/599278514.db2.gz PCJHECGFFPBEIO-HJWRWDBZSA-N -1 3 357.373 3.172 20 0 FGADHM O=C(C=Cc1ccnc2ccccc12)OCc1cccc(-c2nn[n-]n2)c1 ZINC000737807528 599278516 /nfs/dbraw/zinc/27/85/16/599278516.db2.gz PCJHECGFFPBEIO-HJWRWDBZSA-N -1 3 357.373 3.172 20 0 FGADHM CSc1cccc(NC(=O)COc2c(C)cc(-c3nn[n-]n3)cc2C)c1 ZINC000737192609 599283142 /nfs/dbraw/zinc/28/31/42/599283142.db2.gz USCQIZXIOACXGK-UHFFFAOYSA-N -1 3 369.450 3.223 20 0 FGADHM Cc1c(NC(=O)Cc2cc(-c3ccccc3)on2)cccc1-c1nnn[n-]1 ZINC000822077517 607321091 /nfs/dbraw/zinc/32/10/91/607321091.db2.gz WFDAWADSPPPXRV-UHFFFAOYSA-N -1 3 360.377 3.011 20 0 FGADHM Cc1c(NC(=O)Cc2cc(-c3ccccc3)on2)cccc1-c1nn[n-]n1 ZINC000822077517 607321092 /nfs/dbraw/zinc/32/10/92/607321092.db2.gz WFDAWADSPPPXRV-UHFFFAOYSA-N -1 3 360.377 3.011 20 0 FGADHM CC1(C)C[C@@H]1CNC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820589401 599291055 /nfs/dbraw/zinc/29/10/55/599291055.db2.gz DMEAAZDFBNPWHV-MRVPVSSYSA-N -1 3 354.336 3.053 20 0 FGADHM CC1(C)C[C@@H]1CNC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820589401 599291057 /nfs/dbraw/zinc/29/10/57/599291057.db2.gz DMEAAZDFBNPWHV-MRVPVSSYSA-N -1 3 354.336 3.053 20 0 FGADHM CCN(CC(C)C)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000821169795 599291620 /nfs/dbraw/zinc/29/16/20/599291620.db2.gz DQZBPMZTBGFOOD-UHFFFAOYSA-N -1 3 356.352 3.395 20 0 FGADHM CCN(CC(C)C)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821169795 599291621 /nfs/dbraw/zinc/29/16/21/599291621.db2.gz DQZBPMZTBGFOOD-UHFFFAOYSA-N -1 3 356.352 3.395 20 0 FGADHM Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)c1ccc(C(=O)[O-])cc1 ZINC000821103848 598154824 /nfs/dbraw/zinc/15/48/24/598154824.db2.gz RZYDQVKDPKJWEM-IEBWSBKVSA-N -1 3 350.418 3.141 20 0 FGADHM CCO[C@H]1C[C@@H]1C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736609897 598231882 /nfs/dbraw/zinc/23/18/82/598231882.db2.gz GWNYEBMWZFAZSY-IRXDYDNUSA-N -1 3 365.393 3.023 20 0 FGADHM CCO[C@H]1C[C@@H]1C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736609897 598231883 /nfs/dbraw/zinc/23/18/83/598231883.db2.gz GWNYEBMWZFAZSY-IRXDYDNUSA-N -1 3 365.393 3.023 20 0 FGADHM Fc1ccc(N2CC[C@H](CNc3ccc(-c4nn[n-]n4)cc3F)C2)cc1F ZINC000737660848 598242478 /nfs/dbraw/zinc/24/24/78/598242478.db2.gz SMNMQATZEIOXOH-LLVKDONJSA-N -1 3 374.370 3.222 20 0 FGADHM COc1ccccc1CC(C)(C)NC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000737153345 598255146 /nfs/dbraw/zinc/25/51/46/598255146.db2.gz SEEQBUAZBPVIRL-UHFFFAOYSA-N -1 3 366.425 3.018 20 0 FGADHM COc1ccccc1CC(C)(C)NC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000737153345 598255147 /nfs/dbraw/zinc/25/51/47/598255147.db2.gz SEEQBUAZBPVIRL-UHFFFAOYSA-N -1 3 366.425 3.018 20 0 FGADHM Cc1ccc([C@@H](C)NC(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)o1 ZINC000737319915 598276765 /nfs/dbraw/zinc/27/67/65/598276765.db2.gz HGALNEUFIHHDMA-LLVKDONJSA-N -1 3 357.418 3.207 20 0 FGADHM Cc1ccc([C@@H](C)NC(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)o1 ZINC000737319915 598276766 /nfs/dbraw/zinc/27/67/66/598276766.db2.gz HGALNEUFIHHDMA-LLVKDONJSA-N -1 3 357.418 3.207 20 0 FGADHM Cc1sc(NC(=O)c2sccc2OC(F)F)c(-c2nnn[n-]2)c1C ZINC000737563740 598278300 /nfs/dbraw/zinc/27/83/00/598278300.db2.gz PTZYZIXIPMQHLX-UHFFFAOYSA-N -1 3 371.394 3.460 20 0 FGADHM Cc1sc(NC(=O)c2sccc2OC(F)F)c(-c2nn[n-]n2)c1C ZINC000737563740 598278303 /nfs/dbraw/zinc/27/83/03/598278303.db2.gz PTZYZIXIPMQHLX-UHFFFAOYSA-N -1 3 371.394 3.460 20 0 FGADHM CSc1cccc(N(C)C(=S)Nc2ccccc2-c2nnn[n-]2)c1 ZINC000737189716 598295908 /nfs/dbraw/zinc/29/59/08/598295908.db2.gz BCZCPXODQFEYAI-UHFFFAOYSA-N -1 3 356.480 3.422 20 0 FGADHM CSc1cccc(N(C)C(=S)Nc2ccccc2-c2nn[n-]n2)c1 ZINC000737189716 598295910 /nfs/dbraw/zinc/29/59/10/598295910.db2.gz BCZCPXODQFEYAI-UHFFFAOYSA-N -1 3 356.480 3.422 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc(-c2ccco2)nc1C ZINC000737293307 598296232 /nfs/dbraw/zinc/29/62/32/598296232.db2.gz BBKGXFRIGSHPPZ-UHFFFAOYSA-N -1 3 360.377 3.391 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(-c2ccco2)nc1C ZINC000737293307 598296234 /nfs/dbraw/zinc/29/62/34/598296234.db2.gz BBKGXFRIGSHPPZ-UHFFFAOYSA-N -1 3 360.377 3.391 20 0 FGADHM Cc1sc2ncnc(NCc3ccc(-c4nnn[n-]4)cc3F)c2c1C ZINC000737561764 598310521 /nfs/dbraw/zinc/31/05/21/598310521.db2.gz IEBIZSOYWHZCEB-UHFFFAOYSA-N -1 3 355.402 3.239 20 0 FGADHM Cc1sc2ncnc(NCc3ccc(-c4nn[n-]n4)cc3F)c2c1C ZINC000737561764 598310523 /nfs/dbraw/zinc/31/05/23/598310523.db2.gz IEBIZSOYWHZCEB-UHFFFAOYSA-N -1 3 355.402 3.239 20 0 FGADHM c1ccc2[nH]c(CSCCOc3ccccc3-c3nnn[n-]3)nc2c1 ZINC000738425912 598314793 /nfs/dbraw/zinc/31/47/93/598314793.db2.gz PKXOBMNCSJCWKR-UHFFFAOYSA-N -1 3 352.423 3.055 20 0 FGADHM c1ccc2[nH]c(CSCCOc3ccccc3-c3nn[n-]n3)nc2c1 ZINC000738425912 598314795 /nfs/dbraw/zinc/31/47/95/598314795.db2.gz PKXOBMNCSJCWKR-UHFFFAOYSA-N -1 3 352.423 3.055 20 0 FGADHM CN(Cc1ccccc1)C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736828344 598315899 /nfs/dbraw/zinc/31/58/99/598315899.db2.gz NJOPBAMQDLRSBV-UHFFFAOYSA-N -1 3 358.858 3.349 20 0 FGADHM CN(Cc1ccccc1)C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736828344 598315901 /nfs/dbraw/zinc/31/59/01/598315901.db2.gz NJOPBAMQDLRSBV-UHFFFAOYSA-N -1 3 358.858 3.349 20 0 FGADHM CC(C)c1ccc(CNC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000735928642 598318650 /nfs/dbraw/zinc/31/86/50/598318650.db2.gz NRLFRWIWAJLLEH-UHFFFAOYSA-N -1 3 368.416 3.129 20 0 FGADHM CC(C)c1ccc(CNC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000735928642 598318651 /nfs/dbraw/zinc/31/86/51/598318651.db2.gz NRLFRWIWAJLLEH-UHFFFAOYSA-N -1 3 368.416 3.129 20 0 FGADHM Cc1ccc([C@H](C)NC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)o1 ZINC000737320881 598318769 /nfs/dbraw/zinc/31/87/69/598318769.db2.gz PZPAWKCVSADZTG-VIFPVBQESA-N -1 3 362.846 3.469 20 0 FGADHM Cc1ccc([C@H](C)NC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)o1 ZINC000737320881 598318771 /nfs/dbraw/zinc/31/87/71/598318771.db2.gz PZPAWKCVSADZTG-VIFPVBQESA-N -1 3 362.846 3.469 20 0 FGADHM CC(C)c1ccc(NC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000735928402 598321684 /nfs/dbraw/zinc/32/16/84/598321684.db2.gz LGLCUAZVKBFGKW-UHFFFAOYSA-N -1 3 354.389 3.451 20 0 FGADHM CC(C)c1ccc(NC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000735928402 598321685 /nfs/dbraw/zinc/32/16/85/598321685.db2.gz LGLCUAZVKBFGKW-UHFFFAOYSA-N -1 3 354.389 3.451 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)c1ccc(C(F)F)cc1 ZINC000736626326 598325703 /nfs/dbraw/zinc/32/57/03/598325703.db2.gz GPVIKCSHLZRWKJ-UHFFFAOYSA-N -1 3 360.320 3.422 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)c1ccc(C(F)F)cc1 ZINC000736626326 598325704 /nfs/dbraw/zinc/32/57/04/598325704.db2.gz GPVIKCSHLZRWKJ-UHFFFAOYSA-N -1 3 360.320 3.422 20 0 FGADHM C[C@H](NC(=O)c1csc(C(C)(C)C)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736128530 598326886 /nfs/dbraw/zinc/32/68/86/598326886.db2.gz XXXZJIMNFLVKCG-JTQLQIEISA-N -1 3 356.455 3.112 20 0 FGADHM C[C@H](NC(=O)c1csc(C(C)(C)C)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736128530 598326888 /nfs/dbraw/zinc/32/68/88/598326888.db2.gz XXXZJIMNFLVKCG-JTQLQIEISA-N -1 3 356.455 3.112 20 0 FGADHM FC(F)COc1cccc(CNc2nc3c(cc2-c2nnn[n-]2)CCC3)c1 ZINC000737638103 598353381 /nfs/dbraw/zinc/35/33/81/598353381.db2.gz DDCXGIFOFVOOGO-UHFFFAOYSA-N -1 3 372.379 3.006 20 0 FGADHM FC(F)COc1cccc(CNc2nc3c(cc2-c2nn[n-]n2)CCC3)c1 ZINC000737638103 598353383 /nfs/dbraw/zinc/35/33/83/598353383.db2.gz DDCXGIFOFVOOGO-UHFFFAOYSA-N -1 3 372.379 3.006 20 0 FGADHM Cc1ccc(Cl)cc1N1CC[C@H](CNc2ncccc2-c2nnn[n-]2)C1 ZINC000737342507 598353433 /nfs/dbraw/zinc/35/34/33/598353433.db2.gz GFFBDBMXGNZJSC-CYBMUJFWSA-N -1 3 369.860 3.162 20 0 FGADHM Cc1ccc(Cl)cc1N1CC[C@H](CNc2ncccc2-c2nn[n-]n2)C1 ZINC000737342507 598353437 /nfs/dbraw/zinc/35/34/37/598353437.db2.gz GFFBDBMXGNZJSC-CYBMUJFWSA-N -1 3 369.860 3.162 20 0 FGADHM CCOCc1cccc(NC(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736627917 598360506 /nfs/dbraw/zinc/36/05/06/598360506.db2.gz WYGJEBRQNFMKJC-ZDUSSCGKSA-N -1 3 366.425 3.286 20 0 FGADHM CCOCc1cccc(NC(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736627917 598360509 /nfs/dbraw/zinc/36/05/09/598360509.db2.gz WYGJEBRQNFMKJC-ZDUSSCGKSA-N -1 3 366.425 3.286 20 0 FGADHM CCOCc1cccc(NC(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736627265 598360542 /nfs/dbraw/zinc/36/05/42/598360542.db2.gz RTNRDLCXZGUKQZ-UHFFFAOYSA-N -1 3 366.425 3.067 20 0 FGADHM CCOCc1cccc(NC(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736627265 598360544 /nfs/dbraw/zinc/36/05/44/598360544.db2.gz RTNRDLCXZGUKQZ-UHFFFAOYSA-N -1 3 366.425 3.067 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)NC1(c2ccccc2)CC1 ZINC000738152367 598361231 /nfs/dbraw/zinc/36/12/31/598361231.db2.gz RDIRDCPJSYGLKP-UHFFFAOYSA-N -1 3 354.801 3.331 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)NC1(c2ccccc2)CC1 ZINC000738152367 598361234 /nfs/dbraw/zinc/36/12/34/598361234.db2.gz RDIRDCPJSYGLKP-UHFFFAOYSA-N -1 3 354.801 3.331 20 0 FGADHM C[C@@H](NC(=O)Cc1csc(C(C)(C)C)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736110299 598364527 /nfs/dbraw/zinc/36/45/27/598364527.db2.gz HYVPZTWMLWIYQW-LLVKDONJSA-N -1 3 370.482 3.041 20 0 FGADHM C[C@@H](NC(=O)Cc1csc(C(C)(C)C)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736110299 598364529 /nfs/dbraw/zinc/36/45/29/598364529.db2.gz HYVPZTWMLWIYQW-LLVKDONJSA-N -1 3 370.482 3.041 20 0 FGADHM Cc1cccc(C2(C(=O)NCc3ccc(-c4nnn[n-]4)cc3)CCCC2)c1 ZINC000521994420 598364764 /nfs/dbraw/zinc/36/47/64/598364764.db2.gz UKONGHXMWGQROH-UHFFFAOYSA-N -1 3 361.449 3.303 20 0 FGADHM Cc1cccc(C2(C(=O)NCc3ccc(-c4nn[n-]n4)cc3)CCCC2)c1 ZINC000521994420 598364767 /nfs/dbraw/zinc/36/47/67/598364767.db2.gz UKONGHXMWGQROH-UHFFFAOYSA-N -1 3 361.449 3.303 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)Cc1cccc(C)c1 ZINC000736626272 598365214 /nfs/dbraw/zinc/36/52/14/598365214.db2.gz FVKNINDDKAUZMT-UHFFFAOYSA-N -1 3 372.812 3.375 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)Cc1cccc(C)c1 ZINC000736626272 598365216 /nfs/dbraw/zinc/36/52/16/598365216.db2.gz FVKNINDDKAUZMT-UHFFFAOYSA-N -1 3 372.812 3.375 20 0 FGADHM Cc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1OCC(F)F ZINC000737359444 598367404 /nfs/dbraw/zinc/36/74/04/598367404.db2.gz FJLZMEPKIKCVGL-UHFFFAOYSA-N -1 3 359.336 3.071 20 0 FGADHM Cc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1OCC(F)F ZINC000737359444 598367406 /nfs/dbraw/zinc/36/74/06/598367406.db2.gz FJLZMEPKIKCVGL-UHFFFAOYSA-N -1 3 359.336 3.071 20 0 FGADHM CC(C)c1ccc(C=C2N=C(c3ccc(-c4nnn[n-]4)cc3)OC2=O)cc1 ZINC000735922298 598379415 /nfs/dbraw/zinc/37/94/15/598379415.db2.gz FLYSVEATPPMSLT-GZTJUZNOSA-N -1 3 359.389 3.335 20 0 FGADHM CC(C)c1ccc(C=C2N=C(c3ccc(-c4nn[n-]n4)cc3)OC2=O)cc1 ZINC000735922298 598379417 /nfs/dbraw/zinc/37/94/17/598379417.db2.gz FLYSVEATPPMSLT-GZTJUZNOSA-N -1 3 359.389 3.335 20 0 FGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cccc2cccnc21 ZINC000735906338 598382699 /nfs/dbraw/zinc/38/26/99/598382699.db2.gz SBFXZAHINXKJMG-UHFFFAOYSA-N -1 3 374.404 3.454 20 0 FGADHM Clc1cccc(-c2nnc(COc3ccc(-c4nn[n-]n4)cc3)o2)c1 ZINC000737574593 598383457 /nfs/dbraw/zinc/38/34/57/598383457.db2.gz MJPFURJABHHUKZ-UHFFFAOYSA-N -1 3 354.757 3.149 20 0 FGADHM CC(C)C(=O)Nc1ccc(CNc2ncc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000735684753 598387625 /nfs/dbraw/zinc/38/76/25/598387625.db2.gz JAXBKPWMBMOYJS-UHFFFAOYSA-N -1 3 371.832 3.122 20 0 FGADHM CC(C)C(=O)Nc1ccc(CNc2ncc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000735684753 598387627 /nfs/dbraw/zinc/38/76/27/598387627.db2.gz JAXBKPWMBMOYJS-UHFFFAOYSA-N -1 3 371.832 3.122 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N[C@@H]1CCc2ccc(F)cc21 ZINC000738151382 598393367 /nfs/dbraw/zinc/39/33/67/598393367.db2.gz HLWBOBAJUAFUFG-OAHLLOKOSA-N -1 3 372.791 3.468 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N[C@@H]1CCc2ccc(F)cc21 ZINC000738151382 598393369 /nfs/dbraw/zinc/39/33/69/598393369.db2.gz HLWBOBAJUAFUFG-OAHLLOKOSA-N -1 3 372.791 3.468 20 0 FGADHM CO[C@H](C)c1cccc(N[C@H](C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)c1 ZINC000736963416 598397341 /nfs/dbraw/zinc/39/73/41/598397341.db2.gz SRNDNZAKTMSXSR-CHWSQXEVSA-N -1 3 366.425 3.013 20 0 FGADHM CO[C@H](C)c1cccc(N[C@H](C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)c1 ZINC000736963416 598397343 /nfs/dbraw/zinc/39/73/43/598397343.db2.gz SRNDNZAKTMSXSR-CHWSQXEVSA-N -1 3 366.425 3.013 20 0 FGADHM Clc1ncccc1CSc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC000737583868 598414659 /nfs/dbraw/zinc/41/46/59/598414659.db2.gz MSCLRDOHDKCURQ-UHFFFAOYSA-N -1 3 358.858 3.481 20 0 FGADHM Clc1ncccc1CSc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC000737583868 598414660 /nfs/dbraw/zinc/41/46/60/598414660.db2.gz MSCLRDOHDKCURQ-UHFFFAOYSA-N -1 3 358.858 3.481 20 0 FGADHM CC(C)C[C@H](NC(=O)CNc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000735782332 598419174 /nfs/dbraw/zinc/41/91/74/598419174.db2.gz HHZBPWFIBLUTPI-SFHVURJKSA-N -1 3 364.453 3.182 20 0 FGADHM CC(C)C[C@H](NC(=O)CNc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000735782332 598419176 /nfs/dbraw/zinc/41/91/76/598419176.db2.gz HHZBPWFIBLUTPI-SFHVURJKSA-N -1 3 364.453 3.182 20 0 FGADHM Cc1cc(C)cc([C@H](C)NC(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)c1 ZINC000737252847 598423073 /nfs/dbraw/zinc/42/30/73/598423073.db2.gz MOXUSMPPHFXJCH-GJZGRUSLSA-N -1 3 365.437 3.128 20 0 FGADHM Cc1cc(C)cc([C@H](C)NC(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)c1 ZINC000737252847 598423075 /nfs/dbraw/zinc/42/30/75/598423075.db2.gz MOXUSMPPHFXJCH-GJZGRUSLSA-N -1 3 365.437 3.128 20 0 FGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCC1CCCCC1 ZINC000735874999 598428068 /nfs/dbraw/zinc/42/80/68/598428068.db2.gz OJLHGINDXZRZOG-UHFFFAOYSA-N -1 3 356.474 3.367 20 0 FGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCC1CCCCC1 ZINC000735874999 598428070 /nfs/dbraw/zinc/42/80/70/598428070.db2.gz OJLHGINDXZRZOG-UHFFFAOYSA-N -1 3 356.474 3.367 20 0 FGADHM Fc1cccc(NCc2ccnc(N3CCCCCC3)c2)c1-c1nnn[n-]1 ZINC000737663902 598428215 /nfs/dbraw/zinc/42/82/15/598428215.db2.gz KUUMLSMQLHYIPF-UHFFFAOYSA-N -1 3 367.432 3.393 20 0 FGADHM Fc1cccc(NCc2ccnc(N3CCCCCC3)c2)c1-c1nn[n-]n1 ZINC000737663902 598428216 /nfs/dbraw/zinc/42/82/16/598428216.db2.gz KUUMLSMQLHYIPF-UHFFFAOYSA-N -1 3 367.432 3.393 20 0 FGADHM CC(=CC(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1Cl ZINC000732085712 598441788 /nfs/dbraw/zinc/44/17/88/598441788.db2.gz NWHWHUPCJYLZTC-ZRDIBKRKSA-N -1 3 353.813 3.240 20 0 FGADHM CC(=CC(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1Cl ZINC000732085712 598441789 /nfs/dbraw/zinc/44/17/89/598441789.db2.gz NWHWHUPCJYLZTC-ZRDIBKRKSA-N -1 3 353.813 3.240 20 0 FGADHM CCCCOc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)cn2)c(C)c1 ZINC000736462610 598446650 /nfs/dbraw/zinc/44/66/50/598446650.db2.gz FBXRCPXMLBZSPI-UHFFFAOYSA-N -1 3 352.398 3.001 20 0 FGADHM CCCCOc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)cn2)c(C)c1 ZINC000736462610 598446651 /nfs/dbraw/zinc/44/66/51/598446651.db2.gz FBXRCPXMLBZSPI-UHFFFAOYSA-N -1 3 352.398 3.001 20 0 FGADHM CC[C@](C)(NC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000736313255 598455031 /nfs/dbraw/zinc/45/50/31/598455031.db2.gz GWYWBQWPWUSXMI-XOBRGWDASA-N -1 3 365.437 3.076 20 0 FGADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)NCCCc1c[nH]c2ccccc12 ZINC000737853220 598466902 /nfs/dbraw/zinc/46/69/02/598466902.db2.gz QTUFYNSEWUPQSY-UHFFFAOYSA-N -1 3 374.448 3.030 20 0 FGADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)NCCCc1c[nH]c2ccccc12 ZINC000737853220 598466903 /nfs/dbraw/zinc/46/69/03/598466903.db2.gz QTUFYNSEWUPQSY-UHFFFAOYSA-N -1 3 374.448 3.030 20 0 FGADHM C[C@@H](NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1)c1cccs1 ZINC000736111672 598477737 /nfs/dbraw/zinc/47/77/37/598477737.db2.gz NIDLTGIPCMYCRA-GFCCVEGCSA-N -1 3 368.466 3.363 20 0 FGADHM C[C@@H](NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1)c1cccs1 ZINC000736111672 598477739 /nfs/dbraw/zinc/47/77/39/598477739.db2.gz NIDLTGIPCMYCRA-GFCCVEGCSA-N -1 3 368.466 3.363 20 0 FGADHM C[C@@H](OC(=O)CCOCc1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000736150575 598483192 /nfs/dbraw/zinc/48/31/92/598483192.db2.gz OMHLAWQNFNOWCY-CQSZACIVSA-N -1 3 352.394 3.078 20 0 FGADHM C[C@@H](OC(=O)CCOCc1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000736150575 598483194 /nfs/dbraw/zinc/48/31/94/598483194.db2.gz OMHLAWQNFNOWCY-CQSZACIVSA-N -1 3 352.394 3.078 20 0 FGADHM C[C@@H](OC(=O)c1coc(Br)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000736162050 598486605 /nfs/dbraw/zinc/48/66/05/598486605.db2.gz FTKUCDNAPVUOBT-MRVPVSSYSA-N -1 3 363.171 3.140 20 0 FGADHM C[C@@H](OC(=O)c1coc(Br)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000736162050 598486607 /nfs/dbraw/zinc/48/66/07/598486607.db2.gz FTKUCDNAPVUOBT-MRVPVSSYSA-N -1 3 363.171 3.140 20 0 FGADHM CCOc1c(C)cc(COC(=O)c2cccc(-c3nnn[n-]3)c2)cc1C ZINC000736629605 598492446 /nfs/dbraw/zinc/49/24/46/598492446.db2.gz XPCKAGXUPNFMPA-UHFFFAOYSA-N -1 3 352.394 3.239 20 0 FGADHM CCOc1c(C)cc(COC(=O)c2cccc(-c3nn[n-]n3)c2)cc1C ZINC000736629605 598492448 /nfs/dbraw/zinc/49/24/48/598492448.db2.gz XPCKAGXUPNFMPA-UHFFFAOYSA-N -1 3 352.394 3.239 20 0 FGADHM COc1cc2c(cc1OC)CN(c1cccc(Cl)c1-c1nnn[n-]1)CC2 ZINC000737056698 598493419 /nfs/dbraw/zinc/49/34/19/598493419.db2.gz YKYAAXKAPOVJOG-UHFFFAOYSA-N -1 3 371.828 3.100 20 0 FGADHM COc1cc2c(cc1OC)CN(c1cccc(Cl)c1-c1nn[n-]n1)CC2 ZINC000737056698 598493420 /nfs/dbraw/zinc/49/34/20/598493420.db2.gz YKYAAXKAPOVJOG-UHFFFAOYSA-N -1 3 371.828 3.100 20 0 FGADHM CC(C)C[C@@H](C)CC(=O)NCCSCc1ccccc1-c1nnn[n-]1 ZINC000735761843 598494586 /nfs/dbraw/zinc/49/45/86/598494586.db2.gz QABGKOHDMTWIES-CQSZACIVSA-N -1 3 361.515 3.288 20 0 FGADHM CC(C)C[C@@H](C)CC(=O)NCCSCc1ccccc1-c1nn[n-]n1 ZINC000735761843 598494587 /nfs/dbraw/zinc/49/45/87/598494587.db2.gz QABGKOHDMTWIES-CQSZACIVSA-N -1 3 361.515 3.288 20 0 FGADHM CC(C)c1nc(CSCCCOc2ccc(-c3nn[n-]n3)cc2)no1 ZINC000735941072 598511218 /nfs/dbraw/zinc/51/12/18/598511218.db2.gz WIGNLFBFPFTRAE-UHFFFAOYSA-N -1 3 360.443 3.075 20 0 FGADHM CCC[C@H](Cc1ccccc1)NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000736426057 598517929 /nfs/dbraw/zinc/51/79/29/598517929.db2.gz NWRYXLGUALUVBH-KAUXGEHWSA-N -1 3 361.449 3.408 20 0 FGADHM CCC[C@H](Cc1ccccc1)NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000736426057 598517930 /nfs/dbraw/zinc/51/79/30/598517930.db2.gz NWRYXLGUALUVBH-KAUXGEHWSA-N -1 3 361.449 3.408 20 0 FGADHM O=C(COC(=O)c1ccc2ccccc2c1)c1cccc(-c2nnn[n-]2)c1 ZINC000826416299 607359810 /nfs/dbraw/zinc/35/98/10/607359810.db2.gz SBPLJMBSPOWZRW-UHFFFAOYSA-N -1 3 358.357 3.060 20 0 FGADHM O=C(COC(=O)c1ccc2ccccc2c1)c1cccc(-c2nn[n-]n2)c1 ZINC000826416299 607359812 /nfs/dbraw/zinc/35/98/12/607359812.db2.gz SBPLJMBSPOWZRW-UHFFFAOYSA-N -1 3 358.357 3.060 20 0 FGADHM C[C@@H]1C[C@H]1NC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000736235878 598532672 /nfs/dbraw/zinc/53/26/72/598532672.db2.gz HRMYLZJRFYENOF-IAQYHMDHSA-N -1 3 350.382 3.189 20 0 FGADHM C[C@@H]1C[C@H]1NC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000736235878 598532674 /nfs/dbraw/zinc/53/26/74/598532674.db2.gz HRMYLZJRFYENOF-IAQYHMDHSA-N -1 3 350.382 3.189 20 0 FGADHM CC[C@@H](C)N(Cc1ccccc1)C(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC000736327191 598536355 /nfs/dbraw/zinc/53/63/55/598536355.db2.gz PFVPSULWUWKFID-OAHLLOKOSA-N -1 3 364.453 3.106 20 0 FGADHM Brc1cccc(CCCNc2ncccc2-c2nnn[n-]2)c1 ZINC000735369524 598537178 /nfs/dbraw/zinc/53/71/78/598537178.db2.gz VYKAPYIVBYFBTD-UHFFFAOYSA-N -1 3 359.231 3.069 20 0 FGADHM Brc1cccc(CCCNc2ncccc2-c2nn[n-]n2)c1 ZINC000735369524 598537180 /nfs/dbraw/zinc/53/71/80/598537180.db2.gz VYKAPYIVBYFBTD-UHFFFAOYSA-N -1 3 359.231 3.069 20 0 FGADHM O=C(COc1ccc(-c2nn[n-]n2)cc1)O[C@H]1CCc2ccc(Cl)cc21 ZINC000737918779 598538229 /nfs/dbraw/zinc/53/82/29/598538229.db2.gz LBBUSCNHUDXLOR-INIZCTEOSA-N -1 3 370.796 3.130 20 0 FGADHM Cc1cc(NCc2ccc(-c3nnn[n-]3)cc2F)ccc1C(=O)NC(C)C ZINC000737279938 598538239 /nfs/dbraw/zinc/53/82/39/598538239.db2.gz GVGKQQSKBYDJSO-UHFFFAOYSA-N -1 3 368.416 3.065 20 0 FGADHM Cc1cc(NCc2ccc(-c3nn[n-]n3)cc2F)ccc1C(=O)NC(C)C ZINC000737279938 598538241 /nfs/dbraw/zinc/53/82/41/598538241.db2.gz GVGKQQSKBYDJSO-UHFFFAOYSA-N -1 3 368.416 3.065 20 0 FGADHM C[C@@H]1CCCCN1C(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000736266441 598538347 /nfs/dbraw/zinc/53/83/47/598538347.db2.gz HSDHLLUXGAXRCP-CYBMUJFWSA-N -1 3 367.409 3.053 20 0 FGADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1cc(F)ccc1Cl ZINC000736182967 598543686 /nfs/dbraw/zinc/54/36/86/598543686.db2.gz IFONLFASIWCVGZ-VIFPVBQESA-N -1 3 361.764 3.065 20 0 FGADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1cc(F)ccc1Cl ZINC000736182967 598543687 /nfs/dbraw/zinc/54/36/87/598543687.db2.gz IFONLFASIWCVGZ-VIFPVBQESA-N -1 3 361.764 3.065 20 0 FGADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)Nc1ccc(F)cc1C(F)(F)F ZINC000737962090 598543943 /nfs/dbraw/zinc/54/39/43/598543943.db2.gz OCFVHHFOYMLPGQ-UHFFFAOYSA-N -1 3 365.290 3.206 20 0 FGADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)Nc1ccc(F)cc1C(F)(F)F ZINC000737962090 598543946 /nfs/dbraw/zinc/54/39/46/598543946.db2.gz OCFVHHFOYMLPGQ-UHFFFAOYSA-N -1 3 365.290 3.206 20 0 FGADHM Cc1nn(C)c(Cl)c1[C@H]1CCCN1c1cccc(F)c1-c1nnn[n-]1 ZINC000737509918 598545183 /nfs/dbraw/zinc/54/51/83/598545183.db2.gz AEPOBWULDOJBMR-LLVKDONJSA-N -1 3 361.812 3.043 20 0 FGADHM Cc1nn(C)c(Cl)c1[C@H]1CCCN1c1cccc(F)c1-c1nn[n-]n1 ZINC000737509918 598545185 /nfs/dbraw/zinc/54/51/85/598545185.db2.gz AEPOBWULDOJBMR-LLVKDONJSA-N -1 3 361.812 3.043 20 0 FGADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)c1ccc2c(c1)CCC2 ZINC000738144948 598547722 /nfs/dbraw/zinc/54/77/22/598547722.db2.gz HUCFDGRLMKAJLP-UHFFFAOYSA-N -1 3 371.347 3.209 20 0 FGADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)c1ccc2c(c1)CCC2 ZINC000738144948 598547724 /nfs/dbraw/zinc/54/77/24/598547724.db2.gz HUCFDGRLMKAJLP-UHFFFAOYSA-N -1 3 371.347 3.209 20 0 FGADHM CC/C=C/COC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000736408175 598565196 /nfs/dbraw/zinc/56/51/96/598565196.db2.gz CMWWVJKJBMRTNY-ONEGZZNKSA-N -1 3 354.366 3.162 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000738162704 598569968 /nfs/dbraw/zinc/56/99/68/598569968.db2.gz LLMGNGFFEKPMCY-QWRGUYRKSA-N -1 3 359.311 3.026 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000738162704 598569969 /nfs/dbraw/zinc/56/99/69/598569969.db2.gz LLMGNGFFEKPMCY-QWRGUYRKSA-N -1 3 359.311 3.026 20 0 FGADHM Cc1ccc(OC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000737364513 598570715 /nfs/dbraw/zinc/57/07/15/598570715.db2.gz LEEHKHLNBBIIJA-GOSISDBHSA-N -1 3 363.421 3.058 20 0 FGADHM S=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CCC[C@@H]1C1CCC1 ZINC000738400270 598581541 /nfs/dbraw/zinc/58/15/41/598581541.db2.gz CKBFDJBFZAJDEZ-CQSZACIVSA-N -1 3 362.890 3.481 20 0 FGADHM S=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CCC[C@@H]1C1CCC1 ZINC000738400270 598581542 /nfs/dbraw/zinc/58/15/42/598581542.db2.gz CKBFDJBFZAJDEZ-CQSZACIVSA-N -1 3 362.890 3.481 20 0 FGADHM c1ccc(Cc2nc(CSc3ccc(-c4nnn[n-]4)cc3)no2)cc1 ZINC000738433903 598585641 /nfs/dbraw/zinc/58/56/41/598585641.db2.gz YFPMVGIHXZZVEN-UHFFFAOYSA-N -1 3 350.407 3.133 20 0 FGADHM c1ccc(Cc2nc(CSc3ccc(-c4nn[n-]n4)cc3)no2)cc1 ZINC000738433903 598585643 /nfs/dbraw/zinc/58/56/43/598585643.db2.gz YFPMVGIHXZZVEN-UHFFFAOYSA-N -1 3 350.407 3.133 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000738163706 598586894 /nfs/dbraw/zinc/58/68/94/598586894.db2.gz STMUMSJWEOPULR-RKDXNWHRSA-N -1 3 357.311 3.313 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000738163706 598586896 /nfs/dbraw/zinc/58/68/96/598586896.db2.gz STMUMSJWEOPULR-RKDXNWHRSA-N -1 3 357.311 3.313 20 0 FGADHM CC(C)N(C)c1cccc(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)c1 ZINC000735859253 598587376 /nfs/dbraw/zinc/58/73/76/598587376.db2.gz QEHXUTQRCADVBM-VAWYXSNFSA-N -1 3 362.437 3.363 20 0 FGADHM CC(C)N(C)c1cccc(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)c1 ZINC000735859253 598587378 /nfs/dbraw/zinc/58/73/78/598587378.db2.gz QEHXUTQRCADVBM-VAWYXSNFSA-N -1 3 362.437 3.363 20 0 FGADHM O=C(CCSc1ccccc1F)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737849411 598587889 /nfs/dbraw/zinc/58/78/89/598587889.db2.gz DFRPBAZZIBHQOC-UHFFFAOYSA-N -1 3 361.377 3.266 20 0 FGADHM O=C(CCSc1ccccc1F)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737849411 598587891 /nfs/dbraw/zinc/58/78/91/598587891.db2.gz DFRPBAZZIBHQOC-UHFFFAOYSA-N -1 3 361.377 3.266 20 0 FGADHM Cc1c2cc(F)ccc2oc1C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737210227 598588883 /nfs/dbraw/zinc/58/88/83/598588883.db2.gz ZAXXETLTKYXKOP-UHFFFAOYSA-N -1 3 355.304 3.452 20 0 FGADHM Cc1c2cc(F)ccc2oc1C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737210227 598588885 /nfs/dbraw/zinc/58/88/85/598588885.db2.gz ZAXXETLTKYXKOP-UHFFFAOYSA-N -1 3 355.304 3.452 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1c2c(nc3ccccc31)CCC2 ZINC000738165328 598591648 /nfs/dbraw/zinc/59/16/48/598591648.db2.gz CFIWTGFXLGNNDK-UHFFFAOYSA-N -1 3 374.379 3.295 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1c2c(nc3ccccc31)CCC2 ZINC000738165328 598591649 /nfs/dbraw/zinc/59/16/49/598591649.db2.gz CFIWTGFXLGNNDK-UHFFFAOYSA-N -1 3 374.379 3.295 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1cc(F)c(F)cc1Cl ZINC000738165220 598592614 /nfs/dbraw/zinc/59/26/14/598592614.db2.gz AACHVEHKOMHBRH-UHFFFAOYSA-N -1 3 353.691 3.190 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1cc(F)c(F)cc1Cl ZINC000738165220 598592615 /nfs/dbraw/zinc/59/26/15/598592615.db2.gz AACHVEHKOMHBRH-UHFFFAOYSA-N -1 3 353.691 3.190 20 0 FGADHM Cc1c(NC(=O)[C@@H](c2cccc(Cl)c2)N(C)C)cccc1-c1nn[n-]n1 ZINC000822059669 607362118 /nfs/dbraw/zinc/36/21/18/607362118.db2.gz DVPIZOUJIXILJY-MRXNPFEDSA-N -1 3 370.844 3.070 20 0 FGADHM COc1cc(COC(=O)c2sccc2-c2nnn[n-]2)ccc1SC ZINC000737046950 598598754 /nfs/dbraw/zinc/59/87/54/598598754.db2.gz IHQLZCINITUKAT-UHFFFAOYSA-N -1 3 362.436 3.016 20 0 FGADHM CC(C)c1ccccc1NC(=O)CNc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000735933490 598603048 /nfs/dbraw/zinc/60/30/48/598603048.db2.gz XILPAYDYUGVSQI-UHFFFAOYSA-N -1 3 354.389 3.180 20 0 FGADHM CC(C)c1ccccc1NC(=O)CNc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000735933490 598603050 /nfs/dbraw/zinc/60/30/50/598603050.db2.gz XILPAYDYUGVSQI-UHFFFAOYSA-N -1 3 354.389 3.180 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N[C@H]1CCc2c1cccc2Cl ZINC000738168310 598625759 /nfs/dbraw/zinc/62/57/59/598625759.db2.gz ZGSFWVWEIYPJSR-HNNXBMFYSA-N -1 3 372.791 3.468 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N[C@H]1CCc2c1cccc2Cl ZINC000738168310 598625761 /nfs/dbraw/zinc/62/57/61/598625761.db2.gz ZGSFWVWEIYPJSR-HNNXBMFYSA-N -1 3 372.791 3.468 20 0 FGADHM CC[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736350684 598625783 /nfs/dbraw/zinc/62/57/83/598625783.db2.gz NBYPMIFDRZLZDD-ZDUSSCGKSA-N -1 3 354.389 3.149 20 0 FGADHM CC[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736350684 598625785 /nfs/dbraw/zinc/62/57/85/598625785.db2.gz NBYPMIFDRZLZDD-ZDUSSCGKSA-N -1 3 354.389 3.149 20 0 FGADHM Cc1ccccc1C1(CNC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000737424384 598626457 /nfs/dbraw/zinc/62/64/57/598626457.db2.gz XWPGWZWAVPZPPU-UHFFFAOYSA-N -1 3 366.400 3.168 20 0 FGADHM Cc1ccccc1C1(CNC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000737424384 598626458 /nfs/dbraw/zinc/62/64/58/598626458.db2.gz XWPGWZWAVPZPPU-UHFFFAOYSA-N -1 3 366.400 3.168 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)NC1CC(c2ccccc2)C1 ZINC000738167708 598626963 /nfs/dbraw/zinc/62/69/63/598626963.db2.gz RLUYNUCXZYZVBL-UHFFFAOYSA-N -1 3 352.373 3.074 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)NC1CC(c2ccccc2)C1 ZINC000738167708 598626964 /nfs/dbraw/zinc/62/69/64/598626964.db2.gz RLUYNUCXZYZVBL-UHFFFAOYSA-N -1 3 352.373 3.074 20 0 FGADHM CCN(CCc1ccccc1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736541767 598629437 /nfs/dbraw/zinc/62/94/37/598629437.db2.gz JPYSGYQYCKNCGD-UHFFFAOYSA-N -1 3 354.389 3.102 20 0 FGADHM CCN(CCc1ccccc1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736541767 598629439 /nfs/dbraw/zinc/62/94/39/598629439.db2.gz JPYSGYQYCKNCGD-UHFFFAOYSA-N -1 3 354.389 3.102 20 0 FGADHM CCOc1ccc([C@H](C)NC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000736638157 598630373 /nfs/dbraw/zinc/63/03/73/598630373.db2.gz VRQULTWTGJXMQZ-NSHDSACASA-N -1 3 370.388 3.287 20 0 FGADHM CCOc1ccc([C@H](C)NC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000736638157 598630375 /nfs/dbraw/zinc/63/03/75/598630375.db2.gz VRQULTWTGJXMQZ-NSHDSACASA-N -1 3 370.388 3.287 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)NC1CCC(C(F)(F)F)CC1 ZINC000738166566 598631643 /nfs/dbraw/zinc/63/16/43/598631643.db2.gz KDYJMPXMKATOHM-UHFFFAOYSA-N -1 3 372.326 3.248 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)NC1CCC(C(F)(F)F)CC1 ZINC000738166566 598631644 /nfs/dbraw/zinc/63/16/44/598631644.db2.gz KDYJMPXMKATOHM-UHFFFAOYSA-N -1 3 372.326 3.248 20 0 FGADHM C[C@H]1c2ccsc2CCN1C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736305102 598632098 /nfs/dbraw/zinc/63/20/98/598632098.db2.gz SVNLJLNNIQISEK-VIFPVBQESA-N -1 3 358.402 3.219 20 0 FGADHM C[C@H]1c2ccsc2CCN1C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736305102 598632099 /nfs/dbraw/zinc/63/20/99/598632099.db2.gz SVNLJLNNIQISEK-VIFPVBQESA-N -1 3 358.402 3.219 20 0 FGADHM CC(=O)Nc1cccc2c1CCN(c1cc(Cl)ccc1-c1nnn[n-]1)C2 ZINC000735489103 598634296 /nfs/dbraw/zinc/63/42/96/598634296.db2.gz VZLZIECQPPEOJY-UHFFFAOYSA-N -1 3 368.828 3.041 20 0 FGADHM CC(=O)Nc1cccc2c1CCN(c1cc(Cl)ccc1-c1nn[n-]n1)C2 ZINC000735489103 598634297 /nfs/dbraw/zinc/63/42/97/598634297.db2.gz VZLZIECQPPEOJY-UHFFFAOYSA-N -1 3 368.828 3.041 20 0 FGADHM CC(C)c1cc(NCCSCc2ccccc2-c2nnn[n-]2)ncn1 ZINC000735923480 598637174 /nfs/dbraw/zinc/63/71/74/598637174.db2.gz VLWGXFAAQVLIFS-UHFFFAOYSA-N -1 3 355.471 3.125 20 0 FGADHM CC(C)c1cc(NCCSCc2ccccc2-c2nn[n-]n2)ncn1 ZINC000735923480 598637176 /nfs/dbraw/zinc/63/71/76/598637176.db2.gz VLWGXFAAQVLIFS-UHFFFAOYSA-N -1 3 355.471 3.125 20 0 FGADHM Fc1ccc(CSc2ccc3c(c2)OCCCO3)c(-c2nnn[n-]2)c1 ZINC000737650324 598643802 /nfs/dbraw/zinc/64/38/02/598643802.db2.gz QSBGESWFHJWALM-UHFFFAOYSA-N -1 3 358.398 3.459 20 0 FGADHM Fc1ccc(CSc2ccc3c(c2)OCCCO3)c(-c2nn[n-]n2)c1 ZINC000737650324 598643804 /nfs/dbraw/zinc/64/38/04/598643804.db2.gz QSBGESWFHJWALM-UHFFFAOYSA-N -1 3 358.398 3.459 20 0 FGADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)OC[C@@H]1CC=CCC1 ZINC000737842817 598645824 /nfs/dbraw/zinc/64/58/24/598645824.db2.gz WXIDZHLUGUPXIX-OAHLLOKOSA-N -1 3 356.426 3.315 20 0 FGADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)OC[C@@H]1CC=CCC1 ZINC000737842817 598645825 /nfs/dbraw/zinc/64/58/25/598645825.db2.gz WXIDZHLUGUPXIX-OAHLLOKOSA-N -1 3 356.426 3.315 20 0 FGADHM C[C@H](CSc1ccccc1)C(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736048420 598649659 /nfs/dbraw/zinc/64/96/59/598649659.db2.gz WEPOKODZDWGCEH-CQSZACIVSA-N -1 3 367.478 3.254 20 0 FGADHM C[C@H](CSc1ccccc1)C(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736048420 598649660 /nfs/dbraw/zinc/64/96/60/598649660.db2.gz WEPOKODZDWGCEH-CQSZACIVSA-N -1 3 367.478 3.254 20 0 FGADHM C[C@@H](CSc1ccccc1)C(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736045892 598649707 /nfs/dbraw/zinc/64/97/07/598649707.db2.gz DDRMLMOMYHBXQA-AWEZNQCLSA-N -1 3 367.478 3.254 20 0 FGADHM C[C@@H](CSc1ccccc1)C(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736045892 598649709 /nfs/dbraw/zinc/64/97/09/598649709.db2.gz DDRMLMOMYHBXQA-AWEZNQCLSA-N -1 3 367.478 3.254 20 0 FGADHM C[C@H](Nc1cc(N2CCC[C@@H](C)C2)ncn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736278316 598649911 /nfs/dbraw/zinc/64/99/11/598649911.db2.gz RNYBIVFHJHZXNP-KGLIPLIRSA-N -1 3 364.457 3.066 20 0 FGADHM CC(=O)c1ccc(C(=O)N(CC(C)C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735496871 598651026 /nfs/dbraw/zinc/65/10/26/598651026.db2.gz KUTFTNXMNJUVLU-UHFFFAOYSA-N -1 3 363.421 3.372 20 0 FGADHM CC(=O)c1ccc(C(=O)N(CC(C)C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735496871 598651028 /nfs/dbraw/zinc/65/10/28/598651028.db2.gz KUTFTNXMNJUVLU-UHFFFAOYSA-N -1 3 363.421 3.372 20 0 FGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ncoc1C(C)C ZINC000735905621 598653977 /nfs/dbraw/zinc/65/39/77/598653977.db2.gz MEBCEPTVKJNXRD-UHFFFAOYSA-N -1 3 356.386 3.018 20 0 FGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)NCc1cc2ccccc2o1 ZINC000737942371 598654324 /nfs/dbraw/zinc/65/43/24/598654324.db2.gz ZCXOOKWDBCZCKC-UHFFFAOYSA-N -1 3 365.418 3.021 20 0 FGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)NCc1cc2ccccc2o1 ZINC000737942371 598654326 /nfs/dbraw/zinc/65/43/26/598654326.db2.gz ZCXOOKWDBCZCKC-UHFFFAOYSA-N -1 3 365.418 3.021 20 0 FGADHM CC[C@H](C)[C@@H](C)NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000736328699 598654444 /nfs/dbraw/zinc/65/44/44/598654444.db2.gz HWRZHLGWLQBGDI-QWHCGFSZSA-N -1 3 366.425 3.218 20 0 FGADHM CC[C@H](C)[C@@H](C)NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000736328699 598654446 /nfs/dbraw/zinc/65/44/46/598654446.db2.gz HWRZHLGWLQBGDI-QWHCGFSZSA-N -1 3 366.425 3.218 20 0 FGADHM CCCC[C@@H]1CCC[C@@H]1NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736441306 598658010 /nfs/dbraw/zinc/65/80/10/598658010.db2.gz PGIHAYHULHOSPF-CJNGLKHVSA-N -1 3 359.499 3.434 20 0 FGADHM CCCC[C@@H]1CCC[C@@H]1NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736441306 598658012 /nfs/dbraw/zinc/65/80/12/598658012.db2.gz PGIHAYHULHOSPF-CJNGLKHVSA-N -1 3 359.499 3.434 20 0 FGADHM CC(C)(CNC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000735666578 598660724 /nfs/dbraw/zinc/66/07/24/598660724.db2.gz PBLGULSWZUEFPZ-KPKJPENVSA-N -1 3 365.412 3.113 20 0 FGADHM CC(C)(CNC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000735666578 598660726 /nfs/dbraw/zinc/66/07/26/598660726.db2.gz PBLGULSWZUEFPZ-KPKJPENVSA-N -1 3 365.412 3.113 20 0 FGADHM CC(C)(NC(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1 ZINC000735671855 598661036 /nfs/dbraw/zinc/66/10/36/598661036.db2.gz OBSNZZMUDAIITB-UHFFFAOYSA-N -1 3 371.441 3.149 20 0 FGADHM CC(C)(NC(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1 ZINC000735671855 598661038 /nfs/dbraw/zinc/66/10/38/598661038.db2.gz OBSNZZMUDAIITB-UHFFFAOYSA-N -1 3 371.441 3.149 20 0 FGADHM O=C(Nc1ccnn1-c1cccc(Cl)c1)c1sccc1-c1nnn[n-]1 ZINC000738195734 598661136 /nfs/dbraw/zinc/66/11/36/598661136.db2.gz RNWWYWBAVKTEBD-UHFFFAOYSA-N -1 3 371.813 3.020 20 0 FGADHM O=C(Nc1ccnn1-c1cccc(Cl)c1)c1sccc1-c1nn[n-]n1 ZINC000738195734 598661137 /nfs/dbraw/zinc/66/11/37/598661137.db2.gz RNWWYWBAVKTEBD-UHFFFAOYSA-N -1 3 371.813 3.020 20 0 FGADHM O=C(Nc1cc(Br)ccc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000738146913 598685725 /nfs/dbraw/zinc/68/57/25/598685725.db2.gz TYNIHMOVVDGLRO-UHFFFAOYSA-N -1 3 362.162 3.021 20 0 FGADHM O=C(Nc1cc(Br)ccc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000738146913 598685727 /nfs/dbraw/zinc/68/57/27/598685727.db2.gz TYNIHMOVVDGLRO-UHFFFAOYSA-N -1 3 362.162 3.021 20 0 FGADHM Cc1ccc(C(C)(C)CNC(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737317975 598697995 /nfs/dbraw/zinc/69/79/95/598697995.db2.gz QYENHKTZJJOBRX-UHFFFAOYSA-N -1 3 350.426 3.274 20 0 FGADHM Cc1ccc(C(C)(C)CNC(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737317975 598697998 /nfs/dbraw/zinc/69/79/98/598697998.db2.gz QYENHKTZJJOBRX-UHFFFAOYSA-N -1 3 350.426 3.274 20 0 FGADHM CC(C)c1ccccc1OCC(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000735933373 598702265 /nfs/dbraw/zinc/70/22/65/598702265.db2.gz VOEINIFWGVDXPR-UHFFFAOYSA-N -1 3 370.384 3.251 20 0 FGADHM CC(C)c1ccccc1OCC(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000735933373 598702268 /nfs/dbraw/zinc/70/22/68/598702268.db2.gz VOEINIFWGVDXPR-UHFFFAOYSA-N -1 3 370.384 3.251 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)c1ccc(-n2cccc2)cc1 ZINC000738234373 598707570 /nfs/dbraw/zinc/70/75/70/598707570.db2.gz DNUUNUCIXFFHHZ-UHFFFAOYSA-N -1 3 363.352 3.154 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)c1ccc(-n2cccc2)cc1 ZINC000738234373 598707571 /nfs/dbraw/zinc/70/75/71/598707571.db2.gz DNUUNUCIXFFHHZ-UHFFFAOYSA-N -1 3 363.352 3.154 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)C1(c2cccc(Cl)c2)CC1 ZINC000738229795 598708439 /nfs/dbraw/zinc/70/84/39/598708439.db2.gz AJCNFMVODBGCKT-UHFFFAOYSA-N -1 3 372.787 3.434 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)C1(c2cccc(Cl)c2)CC1 ZINC000738229795 598708441 /nfs/dbraw/zinc/70/84/41/598708441.db2.gz AJCNFMVODBGCKT-UHFFFAOYSA-N -1 3 372.787 3.434 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)c1cc(-c2ccccc2)no1 ZINC000738229882 598708553 /nfs/dbraw/zinc/70/85/53/598708553.db2.gz BEFKPFUBWJTKLZ-UHFFFAOYSA-N -1 3 365.324 3.018 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)c1cc(-c2ccccc2)no1 ZINC000738229882 598708554 /nfs/dbraw/zinc/70/85/54/598708554.db2.gz BEFKPFUBWJTKLZ-UHFFFAOYSA-N -1 3 365.324 3.018 20 0 FGADHM COc1ccccc1C(C)=CC(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737140852 598711004 /nfs/dbraw/zinc/71/10/04/598711004.db2.gz GFWICOMYCXBAOC-XFXZXTDPSA-N -1 3 368.368 3.161 20 0 FGADHM COc1ccccc1C(C)=CC(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737140852 598711006 /nfs/dbraw/zinc/71/10/06/598711006.db2.gz GFWICOMYCXBAOC-XFXZXTDPSA-N -1 3 368.368 3.161 20 0 FGADHM Cc1ccc(C(=O)OCCOc2ccccc2-c2nnn[n-]2)cc1Cl ZINC000737316515 598714257 /nfs/dbraw/zinc/71/42/57/598714257.db2.gz DMDYTQOKXFINGV-UHFFFAOYSA-N -1 3 358.785 3.064 20 0 FGADHM Cc1ccc(C(=O)OCCOc2ccccc2-c2nn[n-]n2)cc1Cl ZINC000737316515 598714260 /nfs/dbraw/zinc/71/42/60/598714260.db2.gz DMDYTQOKXFINGV-UHFFFAOYSA-N -1 3 358.785 3.064 20 0 FGADHM COc1ccc(CN(C)C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)cc1C ZINC000737090070 598716866 /nfs/dbraw/zinc/71/68/66/598716866.db2.gz GXURPIRHONHLLQ-UHFFFAOYSA-N -1 3 366.425 3.156 20 0 FGADHM COc1ccc(CN(C)C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)cc1C ZINC000737090070 598716868 /nfs/dbraw/zinc/71/68/68/598716868.db2.gz GXURPIRHONHLLQ-UHFFFAOYSA-N -1 3 366.425 3.156 20 0 FGADHM CC(=CC(=O)OCc1ccc(F)cc1-c1nnn[n-]1)c1cccc(F)c1 ZINC000735447451 598723943 /nfs/dbraw/zinc/72/39/43/598723943.db2.gz KAMDNCMWWOAZLH-YRNVUSSQSA-N -1 3 356.332 3.292 20 0 FGADHM CC(=CC(=O)OCc1ccc(F)cc1-c1nn[n-]n1)c1cccc(F)c1 ZINC000735447451 598723945 /nfs/dbraw/zinc/72/39/45/598723945.db2.gz KAMDNCMWWOAZLH-YRNVUSSQSA-N -1 3 356.332 3.292 20 0 FGADHM COc1cccc(-c2nnc(SCc3ccccc3-c3nnn[n-]3)o2)c1 ZINC000737122009 598729158 /nfs/dbraw/zinc/72/91/58/598729158.db2.gz QBDYSZMHQKANNO-UHFFFAOYSA-N -1 3 366.406 3.218 20 0 FGADHM COc1cccc(-c2nnc(SCc3ccccc3-c3nn[n-]n3)o2)c1 ZINC000737122009 598729159 /nfs/dbraw/zinc/72/91/59/598729159.db2.gz QBDYSZMHQKANNO-UHFFFAOYSA-N -1 3 366.406 3.218 20 0 FGADHM CC[C@H](CC(=O)Oc1ccc(-c2nnn[n-]2)cc1OC)c1ccccc1 ZINC000736335420 598734698 /nfs/dbraw/zinc/73/46/98/598734698.db2.gz RNQYSVLLQZQUIN-CYBMUJFWSA-N -1 3 352.394 3.365 20 0 FGADHM CC[C@H](CC(=O)Oc1ccc(-c2nn[n-]n2)cc1OC)c1ccccc1 ZINC000736335420 598734699 /nfs/dbraw/zinc/73/46/99/598734699.db2.gz RNQYSVLLQZQUIN-CYBMUJFWSA-N -1 3 352.394 3.365 20 0 FGADHM CC(C)CC(CC(C)C)NC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000735760648 598748516 /nfs/dbraw/zinc/74/85/16/598748516.db2.gz FXRNZQIJZHSWQM-CQSZACIVSA-N -1 3 359.474 3.211 20 0 FGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)NC1(c2ccc(Cl)cc2)CC1 ZINC000738179301 598758596 /nfs/dbraw/zinc/75/85/96/598758596.db2.gz QKYLIUHERHOJKC-UHFFFAOYSA-N -1 3 354.801 3.331 20 0 FGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)NC1(c2ccc(Cl)cc2)CC1 ZINC000738179301 598758598 /nfs/dbraw/zinc/75/85/98/598758598.db2.gz QKYLIUHERHOJKC-UHFFFAOYSA-N -1 3 354.801 3.331 20 0 FGADHM Cc1ccccc1[C@@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)C1CC1 ZINC000737420683 598764602 /nfs/dbraw/zinc/76/46/02/598764602.db2.gz IYLXVKLXESHIDK-CBUFDYBVSA-N -1 3 359.433 3.456 20 0 FGADHM Cc1ccccc1[C@@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)C1CC1 ZINC000737420683 598764603 /nfs/dbraw/zinc/76/46/03/598764603.db2.gz IYLXVKLXESHIDK-CBUFDYBVSA-N -1 3 359.433 3.456 20 0 FGADHM Fc1cc(-c2nnn[n-]2)ccc1CN1CCO[C@H](c2ccccc2Cl)C1 ZINC000737638913 598765417 /nfs/dbraw/zinc/76/54/17/598765417.db2.gz KKOOFQPTLJOUPZ-KRWDZBQOSA-N -1 3 373.819 3.233 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1CN1CCO[C@H](c2ccccc2Cl)C1 ZINC000737638913 598765420 /nfs/dbraw/zinc/76/54/20/598765420.db2.gz KKOOFQPTLJOUPZ-KRWDZBQOSA-N -1 3 373.819 3.233 20 0 FGADHM CC[C@@H](Cc1ccccc1)C(=O)OCCOc1ccccc1-c1nnn[n-]1 ZINC000736352031 598779169 /nfs/dbraw/zinc/77/91/69/598779169.db2.gz RLJYCXUCGAZCEL-INIZCTEOSA-N -1 3 366.421 3.058 20 0 FGADHM CC[C@@H](Cc1ccccc1)C(=O)OCCOc1ccccc1-c1nn[n-]n1 ZINC000736352031 598779171 /nfs/dbraw/zinc/77/91/71/598779171.db2.gz RLJYCXUCGAZCEL-INIZCTEOSA-N -1 3 366.421 3.058 20 0 FGADHM Cc1cccc2[nH]cc(CC(=O)OCc3ccc(-c4nnn[n-]4)cc3F)c21 ZINC000737408425 598779699 /nfs/dbraw/zinc/77/96/99/598779699.db2.gz MFSRUQOCHCTNAH-UHFFFAOYSA-N -1 3 365.368 3.081 20 0 FGADHM Cc1cccc2[nH]cc(CC(=O)OCc3ccc(-c4nn[n-]n4)cc3F)c21 ZINC000737408425 598779700 /nfs/dbraw/zinc/77/97/00/598779700.db2.gz MFSRUQOCHCTNAH-UHFFFAOYSA-N -1 3 365.368 3.081 20 0 FGADHM CC(C)n1cc([C@@H](C)NC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cn1 ZINC000736116816 598781019 /nfs/dbraw/zinc/78/10/19/598781019.db2.gz NIHWSLGDORQDPD-SNVBAGLBSA-N -1 3 374.836 3.180 20 0 FGADHM CC(C)n1cc([C@@H](C)NC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cn1 ZINC000736116816 598781020 /nfs/dbraw/zinc/78/10/20/598781020.db2.gz NIHWSLGDORQDPD-SNVBAGLBSA-N -1 3 374.836 3.180 20 0 FGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)CO[C@H]1CCC[C@H](C)C1 ZINC000736263781 598789798 /nfs/dbraw/zinc/78/97/98/598789798.db2.gz SDZPATSSMQRJAA-YJBOKZPZSA-N -1 3 371.485 3.199 20 0 FGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)CO[C@H]1CCC[C@H](C)C1 ZINC000736263781 598789799 /nfs/dbraw/zinc/78/97/99/598789799.db2.gz SDZPATSSMQRJAA-YJBOKZPZSA-N -1 3 371.485 3.199 20 0 FGADHM O=C(c1ccc(-c2nnn[n-]2)cc1)N1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000738255392 598794377 /nfs/dbraw/zinc/79/43/77/598794377.db2.gz RYAXNLOGSVFUQE-INIZCTEOSA-N -1 3 355.348 3.122 20 0 FGADHM O=C(c1ccc(-c2nn[n-]n2)cc1)N1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000738255392 598794380 /nfs/dbraw/zinc/79/43/80/598794380.db2.gz RYAXNLOGSVFUQE-INIZCTEOSA-N -1 3 355.348 3.122 20 0 FGADHM CC[C@@H](OC1CCCC1)C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000736375564 598802483 /nfs/dbraw/zinc/80/24/83/598802483.db2.gz IBXZAXWKYXWSAJ-GOSISDBHSA-N -1 3 371.485 3.342 20 0 FGADHM CC[C@@H](OC1CCCC1)C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000736375564 598802484 /nfs/dbraw/zinc/80/24/84/598802484.db2.gz IBXZAXWKYXWSAJ-GOSISDBHSA-N -1 3 371.485 3.342 20 0 FGADHM CC(C)c1cc(C(=O)Nc2ccc(-c3nnn[n-]3)cn2)c2ccccc2n1 ZINC000735920952 598804639 /nfs/dbraw/zinc/80/46/39/598804639.db2.gz BZARABLCLVQKQE-UHFFFAOYSA-N -1 3 359.393 3.186 20 0 FGADHM CC(C)c1cc(C(=O)Nc2ccc(-c3nn[n-]n3)cn2)c2ccccc2n1 ZINC000735920952 598804641 /nfs/dbraw/zinc/80/46/41/598804641.db2.gz BZARABLCLVQKQE-UHFFFAOYSA-N -1 3 359.393 3.186 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N1CCCC[C@@H]1c1nccs1 ZINC000737796480 598807527 /nfs/dbraw/zinc/80/75/27/598807527.db2.gz HAKDUHGKWNRFON-XVJNWHFHSA-N -1 3 366.450 3.090 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N1CCCC[C@@H]1c1nccs1 ZINC000737796480 598807528 /nfs/dbraw/zinc/80/75/28/598807528.db2.gz HAKDUHGKWNRFON-XVJNWHFHSA-N -1 3 366.450 3.090 20 0 FGADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@H]1CC[C@@H](C)C[C@@H]1C ZINC000736242096 598808078 /nfs/dbraw/zinc/80/80/78/598808078.db2.gz PPDOYNUYVFCPJW-OAOQPFQOSA-N -1 3 371.485 3.211 20 0 FGADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@H]1CC[C@@H](C)C[C@@H]1C ZINC000736242096 598808079 /nfs/dbraw/zinc/80/80/79/598808079.db2.gz PPDOYNUYVFCPJW-OAOQPFQOSA-N -1 3 371.485 3.211 20 0 FGADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCC2)[C@H]1CSc2ccccc21 ZINC000738206147 599293318 /nfs/dbraw/zinc/29/33/18/599293318.db2.gz DPSNCLWRGWVNBF-NSHDSACASA-N -1 3 369.475 3.245 20 0 FGADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCC2)[C@H]1CSc2ccccc21 ZINC000738206147 599293320 /nfs/dbraw/zinc/29/33/20/599293320.db2.gz DPSNCLWRGWVNBF-NSHDSACASA-N -1 3 369.475 3.245 20 0 FGADHM CC(C)c1csc([C@H]2CCCN(c3ccc(-c4nnn[n-]4)cn3)C2)n1 ZINC000735939760 599295319 /nfs/dbraw/zinc/29/53/19/599295319.db2.gz RTTDGXJFFJFNPT-ZDUSSCGKSA-N -1 3 355.471 3.226 20 0 FGADHM CC(C)c1csc([C@H]2CCCN(c3ccc(-c4nn[n-]n4)cn3)C2)n1 ZINC000735939760 599295321 /nfs/dbraw/zinc/29/53/21/599295321.db2.gz RTTDGXJFFJFNPT-ZDUSSCGKSA-N -1 3 355.471 3.226 20 0 FGADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H]1C[C@]12CCCc1ccccc12 ZINC000821612403 599313725 /nfs/dbraw/zinc/31/37/25/599313725.db2.gz UDJYTFFRKOOBTO-KNQAVFIVSA-N -1 3 373.460 3.119 20 0 FGADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H]1C[C@]12CCCc1ccccc12 ZINC000821612403 599313728 /nfs/dbraw/zinc/31/37/28/599313728.db2.gz UDJYTFFRKOOBTO-KNQAVFIVSA-N -1 3 373.460 3.119 20 0 FGADHM O=C(Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1)[C@@H]1CCCS1 ZINC000823356415 599317225 /nfs/dbraw/zinc/31/72/25/599317225.db2.gz LNAOVCSVPISRIU-INIZCTEOSA-N -1 3 367.434 3.493 20 0 FGADHM O=C(Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1)[C@@H]1CCCS1 ZINC000823356415 599317227 /nfs/dbraw/zinc/31/72/27/599317227.db2.gz LNAOVCSVPISRIU-INIZCTEOSA-N -1 3 367.434 3.493 20 0 FGADHM C[C@@H]1C[C@H]2CCCC[C@H]2N1c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000736239145 599322529 /nfs/dbraw/zinc/32/25/29/599322529.db2.gz SVIZLGZTQMZUOC-CKYFFXLPSA-N -1 3 352.364 3.438 20 0 FGADHM C[C@@H]1C[C@H]2CCCC[C@H]2N1c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000736239145 599322532 /nfs/dbraw/zinc/32/25/32/599322532.db2.gz SVIZLGZTQMZUOC-CKYFFXLPSA-N -1 3 352.364 3.438 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NCc1cc(Br)cs1 ZINC000737063279 599328621 /nfs/dbraw/zinc/32/86/21/599328621.db2.gz UIHCWFKDYZNTRU-UHFFFAOYSA-N -1 3 366.244 3.311 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NCc1cc(Br)cs1 ZINC000737063279 599328624 /nfs/dbraw/zinc/32/86/24/599328624.db2.gz UIHCWFKDYZNTRU-UHFFFAOYSA-N -1 3 366.244 3.311 20 0 FGADHM Cc1cccc(OC(F)F)c1NCCOc1cccc(-c2nnn[n-]2)c1 ZINC000737402765 599329660 /nfs/dbraw/zinc/32/96/60/599329660.db2.gz ZOCBLGATARQNNQ-UHFFFAOYSA-N -1 3 361.352 3.267 20 0 FGADHM Cc1cccc(OC(F)F)c1NCCOc1cccc(-c2nn[n-]n2)c1 ZINC000737402765 599329661 /nfs/dbraw/zinc/32/96/61/599329661.db2.gz ZOCBLGATARQNNQ-UHFFFAOYSA-N -1 3 361.352 3.267 20 0 FGADHM FC(F)(F)Cc1ccc(NCCOc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737626017 599331202 /nfs/dbraw/zinc/33/12/02/599331202.db2.gz GAFNQPNETFNJFF-UHFFFAOYSA-N -1 3 363.343 3.462 20 0 FGADHM Cc1c2c(nc(SCc3cccc(Cl)n3)c1-c1nnn[n-]1)CCC2 ZINC000822129182 599342879 /nfs/dbraw/zinc/34/28/79/599342879.db2.gz IOCSFFMMZVDZMM-UHFFFAOYSA-N -1 3 358.858 3.400 20 0 FGADHM Cc1c2c(nc(SCc3cccc(Cl)n3)c1-c1nn[n-]n1)CCC2 ZINC000822129182 599342882 /nfs/dbraw/zinc/34/28/82/599342882.db2.gz IOCSFFMMZVDZMM-UHFFFAOYSA-N -1 3 358.858 3.400 20 0 FGADHM Fc1cccc(-c2nnc(CSc3ccccc3-c3nnn[n-]3)o2)c1 ZINC000822786756 599347800 /nfs/dbraw/zinc/34/78/00/599347800.db2.gz ONCBFBVHVASJBL-UHFFFAOYSA-N -1 3 354.370 3.348 20 0 FGADHM Fc1cccc(-c2nnc(CSc3ccccc3-c3nn[n-]n3)o2)c1 ZINC000822786756 599347803 /nfs/dbraw/zinc/34/78/03/599347803.db2.gz ONCBFBVHVASJBL-UHFFFAOYSA-N -1 3 354.370 3.348 20 0 FGADHM Cc1cc(N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)nc(-c2cccnc2)n1 ZINC000822209552 599352703 /nfs/dbraw/zinc/35/27/03/599352703.db2.gz NPVFRJFLKWNYRJ-ZDUSSCGKSA-N -1 3 358.409 3.200 20 0 FGADHM Cc1cc(N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)nc(-c2cccnc2)n1 ZINC000822209552 599352705 /nfs/dbraw/zinc/35/27/05/599352705.db2.gz NPVFRJFLKWNYRJ-ZDUSSCGKSA-N -1 3 358.409 3.200 20 0 FGADHM C[C@@H](Nc1cnc2cc(F)c(F)cc2n1)c1cccc(-c2nnn[n-]2)c1 ZINC000820461010 599354849 /nfs/dbraw/zinc/35/48/49/599354849.db2.gz DOFAGAFXHRJUTN-SECBINFHSA-N -1 3 353.336 3.261 20 0 FGADHM C[C@@H](Nc1cnc2cc(F)c(F)cc2n1)c1cccc(-c2nn[n-]n2)c1 ZINC000820461010 599354854 /nfs/dbraw/zinc/35/48/54/599354854.db2.gz DOFAGAFXHRJUTN-SECBINFHSA-N -1 3 353.336 3.261 20 0 FGADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)CC[C@@H]1CC[C@H](C)O1 ZINC000820087732 599364287 /nfs/dbraw/zinc/36/42/87/599364287.db2.gz YMWHHINBYVAYHP-YJBOKZPZSA-N -1 3 371.485 3.199 20 0 FGADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)CC[C@@H]1CC[C@H](C)O1 ZINC000820087732 599364290 /nfs/dbraw/zinc/36/42/90/599364290.db2.gz YMWHHINBYVAYHP-YJBOKZPZSA-N -1 3 371.485 3.199 20 0 FGADHM CSCCCC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000737181035 599372520 /nfs/dbraw/zinc/37/25/20/599372520.db2.gz JRIZAUOCADKAEU-UHFFFAOYSA-N -1 3 370.438 3.136 20 0 FGADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)C[C@H](C)c1cccnc1 ZINC000737023706 599372893 /nfs/dbraw/zinc/37/28/93/599372893.db2.gz ANKPZFWCMXBYSM-JTQLQIEISA-N -1 3 373.800 3.023 20 0 FGADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)C[C@H](C)c1cccnc1 ZINC000737023706 599372896 /nfs/dbraw/zinc/37/28/96/599372896.db2.gz ANKPZFWCMXBYSM-JTQLQIEISA-N -1 3 373.800 3.023 20 0 FGADHM COC[C@@H](C)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000821683216 599373801 /nfs/dbraw/zinc/37/38/01/599373801.db2.gz YGRWGEKWPLTXSU-GFCCVEGCSA-N -1 3 357.389 3.032 20 0 FGADHM COC[C@@H](C)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000821683216 599373804 /nfs/dbraw/zinc/37/38/04/599373804.db2.gz YGRWGEKWPLTXSU-GFCCVEGCSA-N -1 3 357.389 3.032 20 0 FGADHM CC[C@@H](CC(=O)OCC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000825081663 607371749 /nfs/dbraw/zinc/37/17/49/607371749.db2.gz LPKFJXAQCQYEOK-AWEZNQCLSA-N -1 3 364.405 3.177 20 0 FGADHM CC[C@@H](CC(=O)OCC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000825081663 607371751 /nfs/dbraw/zinc/37/17/51/607371751.db2.gz LPKFJXAQCQYEOK-AWEZNQCLSA-N -1 3 364.405 3.177 20 0 FGADHM Cc1ccc(C)c(OCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)c1C ZINC000822232009 599382965 /nfs/dbraw/zinc/38/29/65/599382965.db2.gz QIJDQDYDSSBBKE-UHFFFAOYSA-N -1 3 362.393 3.421 20 0 FGADHM Cc1ccc(C)c(OCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)c1C ZINC000822232009 599382968 /nfs/dbraw/zinc/38/29/68/599382968.db2.gz QIJDQDYDSSBBKE-UHFFFAOYSA-N -1 3 362.393 3.421 20 0 FGADHM Cc1cc(-c2nn[n-]n2)cc(C)c1OCc1cn2cc(Cl)ccc2n1 ZINC000822136712 599387435 /nfs/dbraw/zinc/38/74/35/599387435.db2.gz OOOSLUHTCFNKDL-UHFFFAOYSA-N -1 3 354.801 3.364 20 0 FGADHM C[C@@H](NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F)c1cccc(Cl)c1 ZINC000820368317 599399066 /nfs/dbraw/zinc/39/90/66/599399066.db2.gz ZZWYAMZFQUKWAS-SNVBAGLBSA-N -1 3 374.807 3.220 20 0 FGADHM C[C@@H](NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F)c1cccc(Cl)c1 ZINC000820368317 599399069 /nfs/dbraw/zinc/39/90/69/599399069.db2.gz ZZWYAMZFQUKWAS-SNVBAGLBSA-N -1 3 374.807 3.220 20 0 FGADHM Clc1ccc(-c2nnn[n-]2)c(NCc2ccnc(N3CCCC3)c2)c1 ZINC000737571292 599402560 /nfs/dbraw/zinc/40/25/60/599402560.db2.gz ZVHKPONKBOQCPY-UHFFFAOYSA-N -1 3 355.833 3.127 20 0 FGADHM Clc1ccc(-c2nn[n-]n2)c(NCc2ccnc(N3CCCC3)c2)c1 ZINC000737571292 599402562 /nfs/dbraw/zinc/40/25/62/599402562.db2.gz ZVHKPONKBOQCPY-UHFFFAOYSA-N -1 3 355.833 3.127 20 0 FGADHM COc1ccc(OC)c(CCNc2cc(Cl)ccc2-c2nnn[n-]2)c1 ZINC000737109924 599417040 /nfs/dbraw/zinc/41/70/40/599417040.db2.gz PNHKHGXCAJINMH-UHFFFAOYSA-N -1 3 359.817 3.192 20 0 FGADHM COc1ccc(OC)c(CCNc2cc(Cl)ccc2-c2nn[n-]n2)c1 ZINC000737109924 599417042 /nfs/dbraw/zinc/41/70/42/599417042.db2.gz PNHKHGXCAJINMH-UHFFFAOYSA-N -1 3 359.817 3.192 20 0 FGADHM C[C@@H](NC(=O)N[C@H]1CCc2c1cccc2F)c1cccc(-c2nnn[n-]2)c1 ZINC000820356616 599421999 /nfs/dbraw/zinc/42/19/99/599421999.db2.gz ALDDJDIRUXXKIR-DIFFPNOSSA-N -1 3 366.400 3.054 20 0 FGADHM C[C@@H](NC(=O)N[C@H]1CCc2c1cccc2F)c1cccc(-c2nn[n-]n2)c1 ZINC000820356616 599422002 /nfs/dbraw/zinc/42/20/02/599422002.db2.gz ALDDJDIRUXXKIR-DIFFPNOSSA-N -1 3 366.400 3.054 20 0 FGADHM Cc1nc(CNc2cc(-c3nnn[n-]3)c3ccccc3n2)nc2ccccc12 ZINC000737476817 599425114 /nfs/dbraw/zinc/42/51/14/599425114.db2.gz FFDZPRLWRXDCJG-UHFFFAOYSA-N -1 3 368.404 3.279 20 0 FGADHM Cc1nc(CNc2cc(-c3nn[n-]n3)c3ccccc3n2)nc2ccccc12 ZINC000737476817 599425116 /nfs/dbraw/zinc/42/51/16/599425116.db2.gz FFDZPRLWRXDCJG-UHFFFAOYSA-N -1 3 368.404 3.279 20 0 FGADHM CN(C[C@H]1OCCc2ccccc21)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000736790439 599425196 /nfs/dbraw/zinc/42/51/96/599425196.db2.gz HWYIPDWRXYAWGT-QGZVFWFLSA-N -1 3 355.829 3.270 20 0 FGADHM CN(C[C@H]1OCCc2ccccc21)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000736790439 599425198 /nfs/dbraw/zinc/42/51/98/599425198.db2.gz HWYIPDWRXYAWGT-QGZVFWFLSA-N -1 3 355.829 3.270 20 0 FGADHM c1ccc(N2CC[C@@H](Nc3cc(-c4nnn[n-]4)c4ccccc4n3)C2)cc1 ZINC000738436559 599432416 /nfs/dbraw/zinc/43/24/16/599432416.db2.gz SZGBXZUCTOSDHZ-CQSZACIVSA-N -1 3 357.421 3.106 20 0 FGADHM c1ccc(N2CC[C@@H](Nc3cc(-c4nn[n-]n4)c4ccccc4n3)C2)cc1 ZINC000738436559 599432417 /nfs/dbraw/zinc/43/24/17/599432417.db2.gz SZGBXZUCTOSDHZ-CQSZACIVSA-N -1 3 357.421 3.106 20 0 FGADHM C[C@@H](NC(=O)NC1CC(c2ccccc2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820358833 599433402 /nfs/dbraw/zinc/43/34/02/599433402.db2.gz PFSOBOAVAHJRKJ-NLNFPOJYSA-N -1 3 362.437 3.173 20 0 FGADHM C[C@@H](NC(=O)NC1CC(c2ccccc2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820358833 599433403 /nfs/dbraw/zinc/43/34/03/599433403.db2.gz PFSOBOAVAHJRKJ-NLNFPOJYSA-N -1 3 362.437 3.173 20 0 FGADHM COc1ccc(CNc2ccc(OCC3CC3)cc2)cc1-c1nnn[n-]1 ZINC000821821742 599437739 /nfs/dbraw/zinc/43/77/39/599437739.db2.gz USWZDXYHSQFAEN-UHFFFAOYSA-N -1 3 351.410 3.276 20 0 FGADHM COc1ccc(CNc2ccc(OCC3CC3)cc2)cc1-c1nn[n-]n1 ZINC000821821742 599437741 /nfs/dbraw/zinc/43/77/41/599437741.db2.gz USWZDXYHSQFAEN-UHFFFAOYSA-N -1 3 351.410 3.276 20 0 FGADHM C[C@@H](COC(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1)C(F)(F)F ZINC000824442149 607379102 /nfs/dbraw/zinc/37/91/02/607379102.db2.gz VBOYUWNVSPKRTA-LURJTMIESA-N -1 3 368.237 3.241 20 0 FGADHM C[C@@H](COC(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1)C(F)(F)F ZINC000824442149 607379104 /nfs/dbraw/zinc/37/91/04/607379104.db2.gz VBOYUWNVSPKRTA-LURJTMIESA-N -1 3 368.237 3.241 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N1CCC(c2ccccc2F)CC1 ZINC000738150942 599452087 /nfs/dbraw/zinc/45/20/87/599452087.db2.gz DKRKOXCYRHMCOK-UHFFFAOYSA-N -1 3 366.400 3.417 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N1CCC(c2ccccc2F)CC1 ZINC000738150942 599452090 /nfs/dbraw/zinc/45/20/90/599452090.db2.gz DKRKOXCYRHMCOK-UHFFFAOYSA-N -1 3 366.400 3.417 20 0 FGADHM CC[C@@H]1CCC[C@H](Nc2ccc(N3CCC(O)CC3)c(-c3nnn[n-]3)c2)C1 ZINC000820971837 599459933 /nfs/dbraw/zinc/45/99/33/599459933.db2.gz GVOVBNJMTZLKHH-CABCVRRESA-N -1 3 370.501 3.209 20 0 FGADHM CC[C@@H]1CCC[C@H](Nc2ccc(N3CCC(O)CC3)c(-c3nn[n-]n3)c2)C1 ZINC000820971837 599459936 /nfs/dbraw/zinc/45/99/36/599459936.db2.gz GVOVBNJMTZLKHH-CABCVRRESA-N -1 3 370.501 3.209 20 0 FGADHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)N1CCCCC[C@@H]1c1ccco1 ZINC000737894737 599471675 /nfs/dbraw/zinc/47/16/75/599471675.db2.gz JUOKPDZGXLVFIG-MRXNPFEDSA-N -1 3 366.425 3.016 20 0 FGADHM C[C@@H](NC(=O)N1CC[C@H](c2ccccc2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820340928 599475632 /nfs/dbraw/zinc/47/56/32/599475632.db2.gz NSTAQYPQCBODNK-KDOFPFPSSA-N -1 3 362.437 3.127 20 0 FGADHM C[C@@H](NC(=O)N1CC[C@H](c2ccccc2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820340928 599475633 /nfs/dbraw/zinc/47/56/33/599475633.db2.gz NSTAQYPQCBODNK-KDOFPFPSSA-N -1 3 362.437 3.127 20 0 FGADHM CC[C@H](NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000820919966 599485893 /nfs/dbraw/zinc/48/58/93/599485893.db2.gz IKNHOXNUJANRFG-GUYCJALGSA-N -1 3 350.426 3.378 20 0 FGADHM CC[C@H](NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000820919966 599485895 /nfs/dbraw/zinc/48/58/95/599485895.db2.gz IKNHOXNUJANRFG-GUYCJALGSA-N -1 3 350.426 3.378 20 0 FGADHM CSCC[C@@H](C)N(C)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737177558 599498657 /nfs/dbraw/zinc/49/86/57/599498657.db2.gz SYWQXXCYFDJHKT-SECBINFHSA-N -1 3 354.867 3.125 20 0 FGADHM CSCC[C@@H](C)N(C)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737177558 599498658 /nfs/dbraw/zinc/49/86/58/599498658.db2.gz SYWQXXCYFDJHKT-SECBINFHSA-N -1 3 354.867 3.125 20 0 FGADHM COc1ccc(CC[C@@H](C)Nc2c(-c3nnn[n-]3)cnc3ccccc32)cc1 ZINC000821790790 599500841 /nfs/dbraw/zinc/50/08/41/599500841.db2.gz UGMHVPHZYNPAPR-CQSZACIVSA-N -1 3 374.448 3.279 20 0 FGADHM COc1ccc(CC[C@@H](C)Nc2c(-c3nn[n-]n3)cnc3ccccc32)cc1 ZINC000821790790 599500844 /nfs/dbraw/zinc/50/08/44/599500844.db2.gz UGMHVPHZYNPAPR-CQSZACIVSA-N -1 3 374.448 3.279 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H](Cc1ccccc1)C1CC1 ZINC000737289971 599502534 /nfs/dbraw/zinc/50/25/34/599502534.db2.gz AOJFCCHPZYERIN-GOSISDBHSA-N -1 3 362.437 3.318 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H](Cc1ccccc1)C1CC1 ZINC000737289971 599502537 /nfs/dbraw/zinc/50/25/37/599502537.db2.gz AOJFCCHPZYERIN-GOSISDBHSA-N -1 3 362.437 3.318 20 0 FGADHM COc1ccccc1[C@H](C)CC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821883606 599508041 /nfs/dbraw/zinc/50/80/41/599508041.db2.gz YCZZAELDVXOZIK-ZIAGYGMSSA-N -1 3 365.437 3.246 20 0 FGADHM COc1ccccc1[C@H](C)CC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821883606 599508044 /nfs/dbraw/zinc/50/80/44/599508044.db2.gz YCZZAELDVXOZIK-ZIAGYGMSSA-N -1 3 365.437 3.246 20 0 FGADHM CC(C)c1nc([C@@H]2CCCN(c3ccc(-c4nnn[n-]4)c(Cl)c3)C2)no1 ZINC000820203607 599508313 /nfs/dbraw/zinc/50/83/13/599508313.db2.gz WEPYYKVPJIIUCN-LLVKDONJSA-N -1 3 373.848 3.411 20 0 FGADHM CC(C)c1nc([C@@H]2CCCN(c3ccc(-c4nn[n-]n4)c(Cl)c3)C2)no1 ZINC000820203607 599508314 /nfs/dbraw/zinc/50/83/14/599508314.db2.gz WEPYYKVPJIIUCN-LLVKDONJSA-N -1 3 373.848 3.411 20 0 FGADHM Cc1ccc2cccc(C(=O)N[C@@H](C)c3cccc(-c4nnn[n-]4)c3)c2n1 ZINC000822280568 599510340 /nfs/dbraw/zinc/51/03/40/599510340.db2.gz RZHFFUNUPZVMDI-ZDUSSCGKSA-N -1 3 358.405 3.214 20 0 FGADHM Cc1ccc2cccc(C(=O)N[C@@H](C)c3cccc(-c4nn[n-]n4)c3)c2n1 ZINC000822280568 599510344 /nfs/dbraw/zinc/51/03/44/599510344.db2.gz RZHFFUNUPZVMDI-ZDUSSCGKSA-N -1 3 358.405 3.214 20 0 FGADHM Cc1cc(C)c(OCC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c(C)c1 ZINC000822194105 599510818 /nfs/dbraw/zinc/51/08/18/599510818.db2.gz IQRTUIBIXYAFMW-HNNXBMFYSA-N -1 3 365.437 3.048 20 0 FGADHM Cc1cc(C)c(OCC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c(C)c1 ZINC000822194105 599510820 /nfs/dbraw/zinc/51/08/20/599510820.db2.gz IQRTUIBIXYAFMW-HNNXBMFYSA-N -1 3 365.437 3.048 20 0 FGADHM CCCN(C)c1ccc(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821087958 599522201 /nfs/dbraw/zinc/52/22/01/599522201.db2.gz IGBJYZYKFQPVHP-CQSZACIVSA-N -1 3 364.453 3.204 20 0 FGADHM CCCN(C)c1ccc(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821087958 599522202 /nfs/dbraw/zinc/52/22/02/599522202.db2.gz IGBJYZYKFQPVHP-CQSZACIVSA-N -1 3 364.453 3.204 20 0 FGADHM CC(=CC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1cccc(F)c1 ZINC000819765956 599525520 /nfs/dbraw/zinc/52/55/20/599525520.db2.gz TURLWBKHFHWNSV-SUIFULHWSA-N -1 3 351.385 3.287 20 0 FGADHM CC(=CC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1cccc(F)c1 ZINC000819765956 599525522 /nfs/dbraw/zinc/52/55/22/599525522.db2.gz TURLWBKHFHWNSV-SUIFULHWSA-N -1 3 351.385 3.287 20 0 FGADHM CC(=CC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC000819763714 599525597 /nfs/dbraw/zinc/52/55/97/599525597.db2.gz AZQGMEPAAIESFC-UKVQZPPCSA-N -1 3 351.385 3.287 20 0 FGADHM CC(=CC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC000819763714 599525599 /nfs/dbraw/zinc/52/55/99/599525599.db2.gz AZQGMEPAAIESFC-UKVQZPPCSA-N -1 3 351.385 3.287 20 0 FGADHM Cc1ccccc1OCCCC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822366276 599527826 /nfs/dbraw/zinc/52/78/26/599527826.db2.gz FZVBPGMIIYRPHH-HNNXBMFYSA-N -1 3 365.437 3.212 20 0 FGADHM Cc1ccccc1OCCCC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822366276 599527827 /nfs/dbraw/zinc/52/78/27/599527827.db2.gz FZVBPGMIIYRPHH-HNNXBMFYSA-N -1 3 365.437 3.212 20 0 FGADHM C[C@@H](NC(=O)c1csc2c1CCCC2)c1cccc(-c2nnn[n-]2)c1 ZINC000820403429 599531379 /nfs/dbraw/zinc/53/13/79/599531379.db2.gz KBVZSVCZMSSPSN-LLVKDONJSA-N -1 3 353.451 3.298 20 0 FGADHM C[C@@H](NC(=O)c1csc2c1CCCC2)c1cccc(-c2nn[n-]n2)c1 ZINC000820403429 599531381 /nfs/dbraw/zinc/53/13/81/599531381.db2.gz KBVZSVCZMSSPSN-LLVKDONJSA-N -1 3 353.451 3.298 20 0 FGADHM C[C@@H](NC(=O)C(C)(C)c1cccc(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820313339 599538021 /nfs/dbraw/zinc/53/80/21/599538021.db2.gz CXNSZVZMXQEKMK-GFCCVEGCSA-N -1 3 353.401 3.161 20 0 FGADHM C[C@@H](NC(=O)C(C)(C)c1cccc(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820313339 599538024 /nfs/dbraw/zinc/53/80/24/599538024.db2.gz CXNSZVZMXQEKMK-GFCCVEGCSA-N -1 3 353.401 3.161 20 0 FGADHM C[C@@H](NC(=O)Cc1c(F)cccc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000820333661 599538704 /nfs/dbraw/zinc/53/87/04/599538704.db2.gz FRULROYDTKVXJE-SNVBAGLBSA-N -1 3 359.792 3.079 20 0 FGADHM C[C@@H](NC(=O)Cc1c(F)cccc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000820333661 599538708 /nfs/dbraw/zinc/53/87/08/599538708.db2.gz FRULROYDTKVXJE-SNVBAGLBSA-N -1 3 359.792 3.079 20 0 FGADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)[C@@H](C)c1ccsc1 ZINC000737025783 599539925 /nfs/dbraw/zinc/53/99/25/599539925.db2.gz NABSWRFRLACSKK-QMMMGPOBSA-N -1 3 364.814 3.299 20 0 FGADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)[C@@H](C)c1ccsc1 ZINC000737025783 599539929 /nfs/dbraw/zinc/53/99/29/599539929.db2.gz NABSWRFRLACSKK-QMMMGPOBSA-N -1 3 364.814 3.299 20 0 FGADHM CC(C)Oc1ccccc1C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820178243 599541068 /nfs/dbraw/zinc/54/10/68/599541068.db2.gz MMCOBLZPLNIJNB-CYBMUJFWSA-N -1 3 351.410 3.145 20 0 FGADHM CC(C)Oc1ccccc1C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820178243 599541070 /nfs/dbraw/zinc/54/10/70/599541070.db2.gz MMCOBLZPLNIJNB-CYBMUJFWSA-N -1 3 351.410 3.145 20 0 FGADHM C[C@@H](NC(=O)[C@H](C)SCc1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820549120 599542436 /nfs/dbraw/zinc/54/24/36/599542436.db2.gz KMUYFYBRBAVVFL-KGLIPLIRSA-N -1 3 367.478 3.366 20 0 FGADHM C[C@@H](NC(=O)[C@H](C)SCc1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820549120 599542438 /nfs/dbraw/zinc/54/24/38/599542438.db2.gz KMUYFYBRBAVVFL-KGLIPLIRSA-N -1 3 367.478 3.366 20 0 FGADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2NC[C@H]1CCOc2ccccc21 ZINC000822336896 599547049 /nfs/dbraw/zinc/54/70/49/599547049.db2.gz STVMEJONDPOHFE-CQSZACIVSA-N -1 3 372.432 3.123 20 0 FGADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2NC[C@H]1CCOc2ccccc21 ZINC000822336896 599547051 /nfs/dbraw/zinc/54/70/51/599547051.db2.gz STVMEJONDPOHFE-CQSZACIVSA-N -1 3 372.432 3.123 20 0 FGADHM CC[C@@H]1CN(c2c(-c3nnn[n-]3)cnc3c(C)cc(C)cc32)C[C@@H](C)O1 ZINC000820995190 599549327 /nfs/dbraw/zinc/54/93/27/599549327.db2.gz NPZYIBVABMJHJP-ZIAGYGMSSA-N -1 3 352.442 3.035 20 0 FGADHM CC[C@@H]1CN(c2c(-c3nn[n-]n3)cnc3c(C)cc(C)cc32)C[C@@H](C)O1 ZINC000820995190 599549329 /nfs/dbraw/zinc/54/93/29/599549329.db2.gz NPZYIBVABMJHJP-ZIAGYGMSSA-N -1 3 352.442 3.035 20 0 FGADHM COc1ccccc1[C@@H]1CCN(c2c(-c3nnn[n-]3)cnc3ccccc32)C1 ZINC000821891231 599566383 /nfs/dbraw/zinc/56/63/83/599566383.db2.gz XPRIQVQDSJZCLV-CQSZACIVSA-N -1 3 372.432 3.417 20 0 FGADHM COc1ccccc1[C@@H]1CCN(c2c(-c3nn[n-]n3)cnc3ccccc32)C1 ZINC000821891231 599566385 /nfs/dbraw/zinc/56/63/85/599566385.db2.gz XPRIQVQDSJZCLV-CQSZACIVSA-N -1 3 372.432 3.417 20 0 FGADHM O[C@@H](CNc1c(Cl)cccc1-c1nnn[n-]1)c1c(F)cccc1Cl ZINC000823690540 599572342 /nfs/dbraw/zinc/57/23/42/599572342.db2.gz PFLWFAVOFDZVHD-LBPRGKRZSA-N -1 3 368.199 3.458 20 0 FGADHM O[C@@H](CNc1c(Cl)cccc1-c1nn[n-]n1)c1c(F)cccc1Cl ZINC000823690540 599572345 /nfs/dbraw/zinc/57/23/45/599572345.db2.gz PFLWFAVOFDZVHD-LBPRGKRZSA-N -1 3 368.199 3.458 20 0 FGADHM Cc1cccc2c1CCCN2Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000822340929 599577360 /nfs/dbraw/zinc/57/73/60/599577360.db2.gz NOBAAJINBCAGRR-UHFFFAOYSA-N -1 3 373.420 3.178 20 0 FGADHM Cc1cccc2c1CCCN2Cc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822340929 599577363 /nfs/dbraw/zinc/57/73/63/599577363.db2.gz NOBAAJINBCAGRR-UHFFFAOYSA-N -1 3 373.420 3.178 20 0 FGADHM C[C@H](C(=O)OCCCOc1ccc(-c2nn[n-]n2)cc1)c1cccs1 ZINC000735571757 599606580 /nfs/dbraw/zinc/60/65/80/599606580.db2.gz JCBLLWDAJRXXKH-LBPRGKRZSA-N -1 3 358.423 3.044 20 0 FGADHM CC[C@H](C)[C@H]1CCCCN1C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC000736329166 599609756 /nfs/dbraw/zinc/60/97/56/599609756.db2.gz ILIRJFSCHYLMRR-SWLSCSKDSA-N -1 3 358.446 3.308 20 0 FGADHM CC[C@H](C)[C@H]1CCCCN1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC000736329166 599609757 /nfs/dbraw/zinc/60/97/57/599609757.db2.gz ILIRJFSCHYLMRR-SWLSCSKDSA-N -1 3 358.446 3.308 20 0 FGADHM C[C@@H](OC(=O)[C@@H](C)Cc1ccccc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000736056637 599617435 /nfs/dbraw/zinc/61/74/35/599617435.db2.gz BXOCQHZHNPBMDD-QWHCGFSZSA-N -1 3 354.385 3.489 20 0 FGADHM C[C@@H](OC(=O)[C@@H](C)Cc1ccccc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000736056637 599617437 /nfs/dbraw/zinc/61/74/37/599617437.db2.gz BXOCQHZHNPBMDD-QWHCGFSZSA-N -1 3 354.385 3.489 20 0 FGADHM C[C@H](C(=O)Nc1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1)C(F)(F)F ZINC000819877012 599628590 /nfs/dbraw/zinc/62/85/90/599628590.db2.gz MZVOABUOCPWIOP-SSDOTTSWSA-N -1 3 368.344 3.127 20 0 FGADHM CCOc1c(F)cccc1C(=O)Nc1sc(C)c(C)c1-c1nnn[n-]1 ZINC000821389355 599628728 /nfs/dbraw/zinc/62/87/28/599628728.db2.gz JWXNDAOXKBNUKE-UHFFFAOYSA-N -1 3 361.402 3.335 20 0 FGADHM CCOc1c(F)cccc1C(=O)Nc1sc(C)c(C)c1-c1nn[n-]n1 ZINC000821389355 599628729 /nfs/dbraw/zinc/62/87/29/599628729.db2.gz JWXNDAOXKBNUKE-UHFFFAOYSA-N -1 3 361.402 3.335 20 0 FGADHM O=C(CCC1CCOCC1)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000822950325 599633072 /nfs/dbraw/zinc/63/30/72/599633072.db2.gz KAESCVPTDGATPA-UHFFFAOYSA-N -1 3 369.347 3.031 20 0 FGADHM O=C(CCC1CCOCC1)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000822950325 599633073 /nfs/dbraw/zinc/63/30/73/599633073.db2.gz KAESCVPTDGATPA-UHFFFAOYSA-N -1 3 369.347 3.031 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccccc1F ZINC000823303562 599634348 /nfs/dbraw/zinc/63/43/48/599634348.db2.gz MYZCVUKFLRDMTI-UHFFFAOYSA-N -1 3 351.263 3.277 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccccc1F ZINC000823303562 599634349 /nfs/dbraw/zinc/63/43/49/599634349.db2.gz MYZCVUKFLRDMTI-UHFFFAOYSA-N -1 3 351.263 3.277 20 0 FGADHM CC(C)CCc1nc(COC(=O)c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000820081314 599648790 /nfs/dbraw/zinc/64/87/90/599648790.db2.gz BKLWKPNUAWTGML-UHFFFAOYSA-N -1 3 357.439 3.269 20 0 FGADHM CC(C)CCc1nc(COC(=O)c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000820081314 599648791 /nfs/dbraw/zinc/64/87/91/599648791.db2.gz 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C[C@H](NC(=O)N(Cc1cccs1)C1CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820342072 599679881 /nfs/dbraw/zinc/67/98/81/599679881.db2.gz SUDZXIVZZXRDKI-LBPRGKRZSA-N -1 3 368.466 3.363 20 0 FGADHM CC(C)(C)OC(=O)NC(C)(C)CNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000819984049 599685921 /nfs/dbraw/zinc/68/59/21/599685921.db2.gz OWONLKWTZKYLHP-UHFFFAOYSA-N -1 3 366.853 3.235 20 0 FGADHM CC(C)(C)OC(=O)NC(C)(C)CNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000819984049 599685922 /nfs/dbraw/zinc/68/59/22/599685922.db2.gz OWONLKWTZKYLHP-UHFFFAOYSA-N -1 3 366.853 3.235 20 0 FGADHM FC(F)Oc1ccc(Cl)cc1CNc1ncccc1-c1nnn[n-]1 ZINC000822732577 599689483 /nfs/dbraw/zinc/68/94/83/599689483.db2.gz KRCVROSYSOBUOF-UHFFFAOYSA-N -1 3 352.732 3.129 20 0 FGADHM FC(F)Oc1ccc(Cl)cc1CNc1ncccc1-c1nn[n-]n1 ZINC000822732577 599689484 /nfs/dbraw/zinc/68/94/84/599689484.db2.gz KRCVROSYSOBUOF-UHFFFAOYSA-N -1 3 352.732 3.129 20 0 FGADHM O=C(Nc1ccccc1-c1nnn[n-]1)c1cc(Oc2ccccc2)ccn1 ZINC000823367710 599690488 /nfs/dbraw/zinc/69/04/88/599690488.db2.gz 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ZINC000826456768 607392162 /nfs/dbraw/zinc/39/21/62/607392162.db2.gz WIUBFXXDHGPNMK-UHFFFAOYSA-N -1 3 372.791 3.470 20 0 FGADHM CCCN(Cc1cc(C(=O)[O-])co1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000737019275 599793827 /nfs/dbraw/zinc/79/38/27/599793827.db2.gz BIEYPAIDBCXDHU-CQSZACIVSA-N -1 3 352.431 3.199 20 0 FGADHM Cc1c(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000822068021 607395757 /nfs/dbraw/zinc/39/57/57/607395757.db2.gz NRQUPYWQJNQPRE-VAWYXSNFSA-N -1 3 371.404 3.013 20 0 FGADHM Cc1c(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000822068021 607395758 /nfs/dbraw/zinc/39/57/58/607395758.db2.gz NRQUPYWQJNQPRE-VAWYXSNFSA-N -1 3 371.404 3.013 20 0 FGADHM CC(C)Oc1ccc(NC(=O)C[C@H](C)n2cccc2)cc1-c1nnn[n-]1 ZINC000820160427 607399507 /nfs/dbraw/zinc/39/95/07/607399507.db2.gz JURDRNCLDHLNOD-ZDUSSCGKSA-N -1 3 354.414 3.045 20 0 FGADHM CC(C)Oc1ccc(NC(=O)C[C@H](C)n2cccc2)cc1-c1nn[n-]n1 ZINC000820160427 607399510 /nfs/dbraw/zinc/39/95/10/607399510.db2.gz JURDRNCLDHLNOD-ZDUSSCGKSA-N -1 3 354.414 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CC(C)Oc1ccc(NC(=O)N(C)C(C2CC2)C2CC2)cc1-c1nnn[n-]1 ZINC000820165434 607426096 /nfs/dbraw/zinc/42/60/96/607426096.db2.gz PYFVLUNINGIZQS-UHFFFAOYSA-N -1 3 370.457 3.306 20 0 FGADHM CC(C)Oc1ccc(NC(=O)N(C)C(C2CC2)C2CC2)cc1-c1nn[n-]n1 ZINC000820165434 607426098 /nfs/dbraw/zinc/42/60/98/607426098.db2.gz PYFVLUNINGIZQS-UHFFFAOYSA-N -1 3 370.457 3.306 20 0 FGADHM Cc1ccc([C@@H](CNC(=O)Nc2cccc(CN(C)C)c2)C(=O)[O-])cc1 ZINC000738557943 600172114 /nfs/dbraw/zinc/17/21/14/600172114.db2.gz ADUCYEAUUSFBSH-GOSISDBHSA-N -1 3 355.438 3.047 20 0 FGADHM CC(C)Oc1ccc(NC(=O)N2C[C@H](C)CC2(C)C)cc1-c1nnn[n-]1 ZINC000820743407 607426744 /nfs/dbraw/zinc/42/67/44/607426744.db2.gz UDCQDZYGZOKBCW-GFCCVEGCSA-N -1 3 358.446 3.306 20 0 FGADHM CC(C)Oc1ccc(NC(=O)N2C[C@H](C)CC2(C)C)cc1-c1nn[n-]n1 ZINC000820743407 607426745 /nfs/dbraw/zinc/42/67/45/607426745.db2.gz UDCQDZYGZOKBCW-GFCCVEGCSA-N -1 3 358.446 3.306 20 0 FGADHM CC[C@@H]1C[C@@H](C)CN1C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000820966384 607428514 /nfs/dbraw/zinc/42/85/14/607428514.db2.gz DNCBHMZFLSTVLG-TZMCWYRMSA-N -1 3 358.446 3.306 20 0 FGADHM CC[C@@H]1C[C@@H](C)CN1C(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000820966384 607428515 /nfs/dbraw/zinc/42/85/15/607428515.db2.gz DNCBHMZFLSTVLG-TZMCWYRMSA-N -1 3 358.446 3.306 20 0 FGADHM CC(C)Oc1ccc(NC(=O)N2C[C@H](C)C[C@@H](C)C2)cc1-c1nnn[n-]1 ZINC000820650446 607429634 /nfs/dbraw/zinc/42/96/34/607429634.db2.gz VGAZLVSCMMRHFO-CHWSQXEVSA-N -1 3 358.446 3.164 20 0 FGADHM CC(C)Oc1ccc(NC(=O)N2C[C@H](C)C[C@@H](C)C2)cc1-c1nn[n-]n1 ZINC000820650446 607429636 /nfs/dbraw/zinc/42/96/36/607429636.db2.gz VGAZLVSCMMRHFO-CHWSQXEVSA-N -1 3 358.446 3.164 20 0 FGADHM Cc1ccsc1CNC(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000822378915 607430032 /nfs/dbraw/zinc/43/00/32/607430032.db2.gz HMUDTBVHHYUJQO-UHFFFAOYSA-N -1 3 372.454 3.346 20 0 FGADHM Cc1ccsc1CNC(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000822378915 607430033 /nfs/dbraw/zinc/43/00/33/607430033.db2.gz HMUDTBVHHYUJQO-UHFFFAOYSA-N -1 3 372.454 3.346 20 0 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SSXPTSFWXXEHOL-UHFFFAOYSA-N -1 3 362.393 3.493 20 0 FGADHM CC1=C(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)nc2)CCC1 ZINC000824852894 607577224 /nfs/dbraw/zinc/57/72/24/607577224.db2.gz SSXPTSFWXXEHOL-UHFFFAOYSA-N -1 3 362.393 3.493 20 0 FGADHM Cc1nn(Cc2ccc(F)cc2)c(Cl)c1CNCCCN(C)C(=O)[O-] ZINC000740253631 602648825 /nfs/dbraw/zinc/64/88/25/602648825.db2.gz TVORMMQFUKDACD-UHFFFAOYSA-N -1 3 368.840 3.122 20 0 FGADHM CN(CCc1nccs1)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000825950302 607810963 /nfs/dbraw/zinc/81/09/63/607810963.db2.gz NBOBLFOKMFNYGB-UHFFFAOYSA-N -1 3 354.361 3.021 20 0 FGADHM CN(CCc1nccs1)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000825950302 607810964 /nfs/dbraw/zinc/81/09/64/607810964.db2.gz NBOBLFOKMFNYGB-UHFFFAOYSA-N -1 3 354.361 3.021 20 0 FGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)c1cc(F)c(F)cc1F ZINC000824148464 607577540 /nfs/dbraw/zinc/57/75/40/607577540.db2.gz VZXJNLYZGZXGEK-UHFFFAOYSA-N -1 3 364.331 3.093 20 0 FGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)c1cc(F)c(F)cc1F ZINC000824148464 607577542 /nfs/dbraw/zinc/57/75/42/607577542.db2.gz VZXJNLYZGZXGEK-UHFFFAOYSA-N -1 3 364.331 3.093 20 0 FGADHM O=C([O-])N1CCC[C@H](CN2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)C1 ZINC000740512066 602704374 /nfs/dbraw/zinc/70/43/74/602704374.db2.gz NBHVEGNALQGVAZ-VWYCJHECSA-N -1 3 362.314 3.439 20 0 FGADHM CC[C@H](C)c1ccc(C(=O)NCc2ccc(OC)c(-c3nnn[n-]3)c2)cc1 ZINC000825074002 607582104 /nfs/dbraw/zinc/58/21/04/607582104.db2.gz CESMJXNPSXHHAY-ZDUSSCGKSA-N -1 3 365.437 3.319 20 0 FGADHM CC[C@H](C)c1ccc(C(=O)NCc2ccc(OC)c(-c3nn[n-]n3)c2)cc1 ZINC000825074002 607582106 /nfs/dbraw/zinc/58/21/06/607582106.db2.gz CESMJXNPSXHHAY-ZDUSSCGKSA-N -1 3 365.437 3.319 20 0 FGADHM O=C([O-])NCc1cccc(OC(=O)C2CCN(Cc3ccccc3)CC2)c1 ZINC000740678236 602730753 /nfs/dbraw/zinc/73/07/53/602730753.db2.gz BUWYEZIPSAUPRR-UHFFFAOYSA-N -1 3 368.433 3.272 20 0 FGADHM C[C@@H]1CN(Cc2ccc(C(=O)Nc3ccccc3)cc2)CC[C@@H]1NC(=O)[O-] ZINC000739184341 602771216 /nfs/dbraw/zinc/77/12/16/602771216.db2.gz KFMBZNXXHRQLJT-BEFAXECRSA-N -1 3 367.449 3.417 20 0 FGADHM Cc1nn(-c2ccc(F)cc2F)c(C)c1CNC[C@@H](NC(=O)[O-])C(C)C ZINC000740247518 602792121 /nfs/dbraw/zinc/79/21/21/602792121.db2.gz VLFZCAADGGAXTM-MRXNPFEDSA-N -1 3 366.412 3.149 20 0 FGADHM O=C([O-])N1CC[C@H](NCc2cccc(NC(=O)c3ccccc3Cl)c2)C1 ZINC000740470604 602878479 /nfs/dbraw/zinc/87/84/79/602878479.db2.gz RJTMOQYDEYOKED-HNNXBMFYSA-N -1 3 373.840 3.434 20 0 FGADHM COc1ccc(COC(=O)C[C@H]2CCc3ccccc32)cc1-c1nnn[n-]1 ZINC000826205405 607607978 /nfs/dbraw/zinc/60/79/78/607607978.db2.gz VHIJARBWWLEJGW-OAHLLOKOSA-N -1 3 364.405 3.039 20 0 FGADHM COc1ccc(COC(=O)C[C@H]2CCc3ccccc32)cc1-c1nn[n-]n1 ZINC000826205405 607607980 /nfs/dbraw/zinc/60/79/80/607607980.db2.gz VHIJARBWWLEJGW-OAHLLOKOSA-N -1 3 364.405 3.039 20 0 FGADHM O=C([O-])Nc1cc(C(=O)NC[C@H]2CCCN2Cc2ccccc2)ccc1F ZINC000740695215 603176125 /nfs/dbraw/zinc/17/61/25/603176125.db2.gz FGRJLQLBRNUEGK-MRXNPFEDSA-N -1 3 371.412 3.310 20 0 FGADHM Cc1ccc(C(=O)NCCCN2CCc3ccccc3C2)cc1NC(=O)[O-] ZINC000830216350 603312479 /nfs/dbraw/zinc/31/24/79/603312479.db2.gz HQBJZUWZLZBTMF-UHFFFAOYSA-N -1 3 367.449 3.263 20 0 FGADHM Cc1ccc(C(=O)N(CCc2ccccc2)CCN(C)C)cc1NC(=O)[O-] ZINC000830186865 603358110 /nfs/dbraw/zinc/35/81/10/603358110.db2.gz LLTHSVLDFIQERJ-UHFFFAOYSA-N -1 3 369.465 3.331 20 0 FGADHM C[C@@H](NC[C@H](O)[C@H](Cc1ccccc1)NC(=O)[O-])c1ccccc1Cl ZINC000825501416 603395664 /nfs/dbraw/zinc/39/56/64/603395664.db2.gz DLBHTYYEDNQAFF-BVGQSLNGSA-N -1 3 362.857 3.230 20 0 FGADHM Cc1nccn1-c1ccc(CNCc2ccc(NC(=O)[O-])nc2)cc1F ZINC000830823311 603542712 /nfs/dbraw/zinc/54/27/12/603542712.db2.gz FBNQDLVWZJLZBJ-UHFFFAOYSA-N -1 3 355.373 3.095 20 0 FGADHM CCN(CC(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1)c1cccc(C)c1C ZINC000825399171 607641905 /nfs/dbraw/zinc/64/19/05/607641905.db2.gz LOYREXUYWGENRA-UHFFFAOYSA-N -1 3 368.441 3.158 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1CN[C@H](c1ccccc1)C(F)(F)F ZINC000826184024 607643192 /nfs/dbraw/zinc/64/31/92/607643192.db2.gz IGVOTZFHKVHURJ-OAHLLOKOSA-N -1 3 363.343 3.269 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1CN[C@H](c1ccccc1)C(F)(F)F ZINC000826184024 607643194 /nfs/dbraw/zinc/64/31/94/607643194.db2.gz IGVOTZFHKVHURJ-OAHLLOKOSA-N -1 3 363.343 3.269 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1CN[C@H](c1ccccc1)c1ccccn1 ZINC000826184120 607643485 /nfs/dbraw/zinc/64/34/85/607643485.db2.gz LRCPUKVKUJOIIU-HXUWFJFHSA-N -1 3 372.432 3.150 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NC1CCC(C(F)(F)F)CC1 ZINC000826247285 607655010 /nfs/dbraw/zinc/65/50/10/607655010.db2.gz YNRVPVRBVCJDPY-UHFFFAOYSA-N -1 3 353.348 3.026 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NC1CCC(C(F)(F)F)CC1 ZINC000826247285 607655012 /nfs/dbraw/zinc/65/50/12/607655012.db2.gz YNRVPVRBVCJDPY-UHFFFAOYSA-N -1 3 353.348 3.026 20 0 FGADHM O=C([O-])N1CCc2cccc(CNCc3ccccc3Cn3ccnc3)c21 ZINC000832086655 603850460 /nfs/dbraw/zinc/85/04/60/603850460.db2.gz HNGPMKVANQSYDJ-UHFFFAOYSA-N -1 3 362.433 3.262 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@H](C)c1ccc(OC(C)C)cc1 ZINC000826247150 607661028 /nfs/dbraw/zinc/66/10/28/607661028.db2.gz VJSCRNPUXYJVNZ-CQSZACIVSA-N -1 3 365.437 3.453 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@H](C)c1ccc(OC(C)C)cc1 ZINC000826247150 607661029 /nfs/dbraw/zinc/66/10/29/607661029.db2.gz VJSCRNPUXYJVNZ-CQSZACIVSA-N -1 3 365.437 3.453 20 0 FGADHM CC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(-c3nnn[n-]3)cc2C)c1 ZINC000824000030 607667715 /nfs/dbraw/zinc/66/77/15/607667715.db2.gz RETRTVMNFVRJGX-UHFFFAOYSA-N -1 3 370.800 3.039 20 0 FGADHM CC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(-c3nn[n-]n3)cc2C)c1 ZINC000824000030 607667718 /nfs/dbraw/zinc/66/77/18/607667718.db2.gz RETRTVMNFVRJGX-UHFFFAOYSA-N -1 3 370.800 3.039 20 0 FGADHM CN(C[C@@H]1CCCN1Cc1ccc(OCc2ccccn2)cc1)C(=O)[O-] ZINC000828230498 604108847 /nfs/dbraw/zinc/10/88/47/604108847.db2.gz QHOSVRGWYLGINR-SFHVURJKSA-N -1 3 355.438 3.235 20 0 FGADHM O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826453431 607681634 /nfs/dbraw/zinc/68/16/34/607681634.db2.gz KOFMFSSJNITCHI-UHFFFAOYSA-N -1 3 356.695 3.119 20 0 FGADHM O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826453431 607681635 /nfs/dbraw/zinc/68/16/35/607681635.db2.gz KOFMFSSJNITCHI-UHFFFAOYSA-N -1 3 356.695 3.119 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NCc1nc(C(F)(F)F)cs1 ZINC000825632283 607685800 /nfs/dbraw/zinc/68/58/00/607685800.db2.gz NXBCNJJCUYRAOI-UHFFFAOYSA-N -1 3 370.360 3.353 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NCc1nc(C(F)(F)F)cs1 ZINC000825632283 607685802 /nfs/dbraw/zinc/68/58/02/607685802.db2.gz NXBCNJJCUYRAOI-UHFFFAOYSA-N -1 3 370.360 3.353 20 0 FGADHM Cc1nc2c(s1)[C@@H](N(C)C(=O)c1ccc(-c3nnn[n-]3)cc1C)CCC2 ZINC000826328550 607689072 /nfs/dbraw/zinc/68/90/72/607689072.db2.gz VKBSOSQTKCIRNI-HNNXBMFYSA-N -1 3 368.466 3.090 20 0 FGADHM Cc1nc2c(s1)[C@@H](N(C)C(=O)c1ccc(-c3nn[n-]n3)cc1C)CCC2 ZINC000826328550 607689074 /nfs/dbraw/zinc/68/90/74/607689074.db2.gz VKBSOSQTKCIRNI-HNNXBMFYSA-N -1 3 368.466 3.090 20 0 FGADHM Cc1ccc(CN(C)C)cc1NC(=O)C[C@@H](C)[C@H]1CCCN(C(=O)[O-])C1 ZINC000830307241 604391492 /nfs/dbraw/zinc/39/14/92/604391492.db2.gz AGRSVUXQQWXPFC-WBVHZDCISA-N -1 3 361.486 3.411 20 0 FGADHM CCSc1ccc(CC(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000825673781 607693611 /nfs/dbraw/zinc/69/36/11/607693611.db2.gz BUAODJFVEWYFCT-ZDUSSCGKSA-N -1 3 367.478 3.399 20 0 FGADHM CCSc1ccc(CC(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825673781 607693614 /nfs/dbraw/zinc/69/36/14/607693614.db2.gz BUAODJFVEWYFCT-ZDUSSCGKSA-N -1 3 367.478 3.399 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1c2ccccc2N(C)CC[C@@H]1C ZINC000826245535 607694528 /nfs/dbraw/zinc/69/45/28/607694528.db2.gz ARMBUPQLPWGJRU-AWEZNQCLSA-N -1 3 362.437 3.050 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1c2ccccc2N(C)CC[C@@H]1C ZINC000826245535 607694530 /nfs/dbraw/zinc/69/45/30/607694530.db2.gz ARMBUPQLPWGJRU-AWEZNQCLSA-N -1 3 362.437 3.050 20 0 FGADHM CCc1nc(C)c([C@H](C)N(C)C(=O)c2ccc(-c3nnn[n-]3)cc2C)s1 ZINC000825744798 607694602 /nfs/dbraw/zinc/69/46/02/607694602.db2.gz FGCAQZIXFJZGLR-LBPRGKRZSA-N -1 3 370.482 3.336 20 0 FGADHM CCc1nc(C)c([C@H](C)N(C)C(=O)c2ccc(-c3nn[n-]n3)cc2C)s1 ZINC000825744798 607694605 /nfs/dbraw/zinc/69/46/05/607694605.db2.gz FGCAQZIXFJZGLR-LBPRGKRZSA-N -1 3 370.482 3.336 20 0 FGADHM CN(Cc1cccc2nsnc21)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830853162 604490104 /nfs/dbraw/zinc/49/01/04/604490104.db2.gz YPXFUHAIZLAFAH-HNNXBMFYSA-N -1 3 367.352 3.366 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NC[C@H](C)Oc1ccccc1Cl ZINC000826247678 607696619 /nfs/dbraw/zinc/69/66/19/607696619.db2.gz KXFWDPVQAMKYKU-LBPRGKRZSA-N -1 3 371.828 3.026 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NC[C@H](C)Oc1ccccc1Cl ZINC000826247678 607696620 /nfs/dbraw/zinc/69/66/20/607696620.db2.gz KXFWDPVQAMKYKU-LBPRGKRZSA-N -1 3 371.828 3.026 20 0 FGADHM C[C@H]1C[C@H](Nc2ccc(N3CCC(O)CC3)c(-c3nnn[n-]3)c2)C[C@@H](C)C1 ZINC000824875630 607701067 /nfs/dbraw/zinc/70/10/67/607701067.db2.gz NTQKXWBBTPJNKD-FOLVSLTJSA-N -1 3 370.501 3.064 20 0 FGADHM C[C@H]1C[C@H](Nc2ccc(N3CCC(O)CC3)c(-c3nn[n-]n3)c2)C[C@@H](C)C1 ZINC000824875630 607701069 /nfs/dbraw/zinc/70/10/69/607701069.db2.gz NTQKXWBBTPJNKD-FOLVSLTJSA-N -1 3 370.501 3.064 20 0 FGADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(CN2C(=O)C(C)(C)[C@H]2c2ccccc2)C1 ZINC000833421248 604867177 /nfs/dbraw/zinc/86/71/77/604867177.db2.gz KWTPWJWTKGKDSO-IAGOWNOFSA-N -1 3 358.482 3.376 20 0 FGADHM CC[C@H](C)OCC(=O)OCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000825074855 607723627 /nfs/dbraw/zinc/72/36/27/607723627.db2.gz KINPAFAEKCRPIX-AWEZNQCLSA-N -1 3 366.421 3.392 20 0 FGADHM CC[C@H](C)OCC(=O)OCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000825074855 607723629 /nfs/dbraw/zinc/72/36/29/607723629.db2.gz KINPAFAEKCRPIX-AWEZNQCLSA-N -1 3 366.421 3.392 20 0 FGADHM CN(C(=O)CN[C@@H](c1ccccc1)C1CCC1)c1ccccc1C(=O)[O-] ZINC000833685175 604948585 /nfs/dbraw/zinc/94/85/85/604948585.db2.gz BVDOBRZJHVYQBH-FQEVSTJZSA-N -1 3 352.434 3.479 20 0 FGADHM CCOc1ccc([C@H](C)NCc2cc(C(=O)[O-])cc(C(=O)OC)c2)cc1 ZINC000833664608 605068535 /nfs/dbraw/zinc/06/85/35/605068535.db2.gz ZDBVBVBELMZEQC-ZDUSSCGKSA-N -1 3 357.406 3.421 20 0 FGADHM CCOc1ccccc1[C@H](CC(C)C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000825654127 607745802 /nfs/dbraw/zinc/74/58/02/607745802.db2.gz OZMCDFLBZSYHJZ-INIZCTEOSA-N -1 3 368.441 3.111 20 0 FGADHM CCOc1ccccc1[C@H](CC(C)C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000825654127 607745803 /nfs/dbraw/zinc/74/58/03/607745803.db2.gz OZMCDFLBZSYHJZ-INIZCTEOSA-N -1 3 368.441 3.111 20 0 FGADHM Cc1cccc([C@H]2CC(=O)N(CN3CCC[C@H](C(C)(C)C(=O)[O-])C3)C2)c1 ZINC000833752360 605346716 /nfs/dbraw/zinc/34/67/16/605346716.db2.gz HVYYIJSLLNBRFR-ROUUACIJSA-N -1 3 358.482 3.091 20 0 FGADHM Cn1cc(CN2CCC[C@@H](CNC(=O)[O-])C2)c(-c2cc3ccccc3o2)n1 ZINC000833949742 605553322 /nfs/dbraw/zinc/55/33/22/605553322.db2.gz WOGGPEFSKVHKBP-AWEZNQCLSA-N -1 3 368.437 3.313 20 0 FGADHM O=C([O-])NC[C@H]1CCCN(Cc2cccc(OCc3ccccn3)c2)C1 ZINC000834215471 605558939 /nfs/dbraw/zinc/55/89/39/605558939.db2.gz NBXXRIOICHQVMP-QGZVFWFLSA-N -1 3 355.438 3.140 20 0 FGADHM O=C([O-])Nc1ccc(CN2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)cn1 ZINC000834259486 605674068 /nfs/dbraw/zinc/67/40/68/605674068.db2.gz ATSLNQXWRVVVPZ-SJORKVTESA-N -1 3 359.401 3.399 20 0 FGADHM O=C(Cc1ccsc1)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000826423953 607770832 /nfs/dbraw/zinc/77/08/32/607770832.db2.gz PFQCWVADCYAPHQ-UHFFFAOYSA-N -1 3 368.447 3.233 20 0 FGADHM O=C(Cc1ccsc1)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826423953 607770833 /nfs/dbraw/zinc/77/08/33/607770833.db2.gz PFQCWVADCYAPHQ-UHFFFAOYSA-N -1 3 368.447 3.233 20 0 FGADHM O=C([O-])N[C@H]1C[C@@H](NCc2ccccc2Cn2cccn2)c2ccccc21 ZINC000834159671 605789858 /nfs/dbraw/zinc/78/98/58/605789858.db2.gz VYDGJGCYLSDAHD-UXHICEINSA-N -1 3 362.433 3.475 20 0 FGADHM C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1Cc1cc(C(=O)[O-])ccc1F ZINC000833597554 605840551 /nfs/dbraw/zinc/84/05/51/605840551.db2.gz SVRRATYXEBJBJV-CHWSQXEVSA-N -1 3 366.433 3.259 20 0 FGADHM CCO[C@H](CCNc1c(-c2nnn[n-]2)cnc2c(C)cccc21)C(C)C ZINC000821351437 606040372 /nfs/dbraw/zinc/04/03/72/606040372.db2.gz PTEWRLLPJFKHPJ-MRXNPFEDSA-N -1 3 354.458 3.008 20 0 FGADHM CCO[C@H](CCNc1c(-c2nn[n-]n2)cnc2c(C)cccc21)C(C)C ZINC000821351437 606040375 /nfs/dbraw/zinc/04/03/75/606040375.db2.gz PTEWRLLPJFKHPJ-MRXNPFEDSA-N -1 3 354.458 3.008 20 0 FGADHM O=C([O-])Nc1ccccc1CC(=O)N1CCN(CC2CCCCC2)CC1 ZINC000834270956 606055013 /nfs/dbraw/zinc/05/50/13/606055013.db2.gz OJQUUWCIDMMJNE-UHFFFAOYSA-N -1 3 359.470 3.044 20 0 FGADHM Clc1cc(Br)ccc1CNc1ccc(-c2nnn[n-]2)nc1 ZINC000822568047 606058193 /nfs/dbraw/zinc/05/81/93/606058193.db2.gz KTDFHNCNCMBREH-UHFFFAOYSA-N -1 3 365.622 3.290 20 0 FGADHM Clc1cc(Br)ccc1CNc1ccc(-c2nn[n-]n2)nc1 ZINC000822568047 606058197 /nfs/dbraw/zinc/05/81/97/606058197.db2.gz KTDFHNCNCMBREH-UHFFFAOYSA-N -1 3 365.622 3.290 20 0 FGADHM Fc1cccc(Oc2ccc(CNc3ccc(-c4nnn[n-]4)nc3)cn2)c1 ZINC000822791245 606064059 /nfs/dbraw/zinc/06/40/59/606064059.db2.gz GCHGJUHHBMWPPP-UHFFFAOYSA-N -1 3 363.356 3.200 20 0 FGADHM Fc1cccc(Oc2ccc(CNc3ccc(-c4nn[n-]n4)nc3)cn2)c1 ZINC000822791245 606064066 /nfs/dbraw/zinc/06/40/66/606064066.db2.gz GCHGJUHHBMWPPP-UHFFFAOYSA-N -1 3 363.356 3.200 20 0 FGADHM CC1(C(=O)NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)CCC1 ZINC000820577049 606068427 /nfs/dbraw/zinc/06/84/27/606068427.db2.gz HRORUMJCYUTCFH-UHFFFAOYSA-N -1 3 353.451 3.402 20 0 FGADHM Brc1ccccc1C1(CNc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000819689208 606089903 /nfs/dbraw/zinc/08/99/03/606089903.db2.gz XTLBFFVVJAMYHC-UHFFFAOYSA-N -1 3 371.242 3.168 20 0 FGADHM Brc1ccccc1C1(CNc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000819689208 606089906 /nfs/dbraw/zinc/08/99/06/606089906.db2.gz XTLBFFVVJAMYHC-UHFFFAOYSA-N -1 3 371.242 3.168 20 0 FGADHM C[C@H](C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F)c1ccc(Cl)s1 ZINC000819857964 606126099 /nfs/dbraw/zinc/12/60/99/606126099.db2.gz WTKGHNATXQCNLO-QMMMGPOBSA-N -1 3 365.821 3.487 20 0 FGADHM C[C@H](C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F)c1ccc(Cl)s1 ZINC000819857964 606126100 /nfs/dbraw/zinc/12/61/00/606126100.db2.gz WTKGHNATXQCNLO-QMMMGPOBSA-N -1 3 365.821 3.487 20 0 FGADHM CC[C@@H](C)Oc1ccc(NCc2cnc3ccc(-c4nnn[n-]4)cn23)cc1 ZINC000820876665 606132236 /nfs/dbraw/zinc/13/22/36/606132236.db2.gz RJNZOAGTSOYPGD-CYBMUJFWSA-N -1 3 363.425 3.304 20 0 FGADHM CC[C@@H](C)Oc1ccc(NCc2cnc3ccc(-c4nn[n-]n4)cn23)cc1 ZINC000820876665 606132238 /nfs/dbraw/zinc/13/22/38/606132238.db2.gz RJNZOAGTSOYPGD-CYBMUJFWSA-N -1 3 363.425 3.304 20 0 FGADHM C[C@H]1[C@@H](Cc2ccccc2)CCN1c1ncc(-c2nnn[n-]2)cc1Cl ZINC000820641497 606138490 /nfs/dbraw/zinc/13/84/90/606138490.db2.gz CWSMSTLPJWCTIJ-GXTWGEPZSA-N -1 3 354.845 3.373 20 0 FGADHM C[C@H]1[C@@H](Cc2ccccc2)CCN1c1ncc(-c2nn[n-]n2)cc1Cl ZINC000820641497 606138493 /nfs/dbraw/zinc/13/84/93/606138493.db2.gz CWSMSTLPJWCTIJ-GXTWGEPZSA-N -1 3 354.845 3.373 20 0 FGADHM CC[C@@H](Oc1cccc(C)c1)C(=O)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000820937841 606140440 /nfs/dbraw/zinc/14/04/40/606140440.db2.gz DSUYUVDLKILIAW-QGZVFWFLSA-N -1 3 352.394 3.076 20 0 FGADHM CC[C@@H](Oc1cccc(C)c1)C(=O)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000820937841 606140442 /nfs/dbraw/zinc/14/04/42/606140442.db2.gz DSUYUVDLKILIAW-QGZVFWFLSA-N -1 3 352.394 3.076 20 0 FGADHM Cc1ccc(OCCCOC(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000822262957 606144166 /nfs/dbraw/zinc/14/41/66/606144166.db2.gz GYVUPHYDHXJGFC-UHFFFAOYSA-N -1 3 366.421 3.038 20 0 FGADHM Cc1ccc(OCCCOC(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000822262957 606144168 /nfs/dbraw/zinc/14/41/68/606144168.db2.gz GYVUPHYDHXJGFC-UHFFFAOYSA-N -1 3 366.421 3.038 20 0 FGADHM COc1ccc([C@@H](C)CC(=O)OCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000821777251 606150758 /nfs/dbraw/zinc/15/07/58/606150758.db2.gz CMIUKJAKMBJWHM-LBPRGKRZSA-N -1 3 370.384 3.251 20 0 FGADHM COc1ccc([C@@H](C)CC(=O)OCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000821777251 606150759 /nfs/dbraw/zinc/15/07/59/606150759.db2.gz CMIUKJAKMBJWHM-LBPRGKRZSA-N -1 3 370.384 3.251 20 0 FGADHM COc1cc(C)cc(OC)c1OCc1cn2ccccc2c1-c1nnn[n-]1 ZINC000821708372 606175601 /nfs/dbraw/zinc/17/56/01/606175601.db2.gz ODBIQPWKWFYODC-UHFFFAOYSA-N -1 3 365.393 3.024 20 0 FGADHM COc1cc(C)cc(OC)c1OCc1cn2ccccc2c1-c1nn[n-]n1 ZINC000821708372 606175603 /nfs/dbraw/zinc/17/56/03/606175603.db2.gz ODBIQPWKWFYODC-UHFFFAOYSA-N -1 3 365.393 3.024 20 0 FGADHM Cc1ccccc1Cc1noc(CSc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000822361471 606204237 /nfs/dbraw/zinc/20/42/37/606204237.db2.gz BWBCBNXCZGLHSX-UHFFFAOYSA-N -1 3 364.434 3.441 20 0 FGADHM Cc1ccccc1Cc1noc(CSc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000822361471 606204239 /nfs/dbraw/zinc/20/42/39/606204239.db2.gz BWBCBNXCZGLHSX-UHFFFAOYSA-N -1 3 364.434 3.441 20 0 FGADHM CC(=O)[C@@H](C)OC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000819781962 606236469 /nfs/dbraw/zinc/23/64/69/606236469.db2.gz FUVNKRYXQMXVFZ-GFCCVEGCSA-N -1 3 368.418 3.152 20 0 FGADHM CC(=O)[C@@H](C)OC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000819781962 606236470 /nfs/dbraw/zinc/23/64/70/606236470.db2.gz FUVNKRYXQMXVFZ-GFCCVEGCSA-N -1 3 368.418 3.152 20 0 FGADHM COc1ccnc(Oc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)n1 ZINC000821903699 606241705 /nfs/dbraw/zinc/24/17/05/606241705.db2.gz LGHSKZRHHSDQJU-UHFFFAOYSA-N -1 3 362.349 3.250 20 0 FGADHM O=C(NCC1(c2ccc(Cl)cc2)CCCC1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823170557 606262462 /nfs/dbraw/zinc/26/24/62/606262462.db2.gz DSTXXADEEGSUQY-UHFFFAOYSA-N -1 3 370.844 3.090 20 0 FGADHM O=C(NCC1(c2ccc(Cl)cc2)CCCC1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823170557 606262464 /nfs/dbraw/zinc/26/24/64/606262464.db2.gz DSTXXADEEGSUQY-UHFFFAOYSA-N -1 3 370.844 3.090 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)[C@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000823344002 606269177 /nfs/dbraw/zinc/26/91/77/606269177.db2.gz NNAZBEGYYXSLIO-OLZOCXBDSA-N -1 3 357.776 3.401 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)[C@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000823344002 606269178 /nfs/dbraw/zinc/26/91/78/606269178.db2.gz NNAZBEGYYXSLIO-OLZOCXBDSA-N -1 3 357.776 3.401 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)[C@H]1SCCc2sccc21 ZINC000823344284 606269394 /nfs/dbraw/zinc/26/93/94/606269394.db2.gz TXJCEXZLPLURCH-ZDUSSCGKSA-N -1 3 361.427 3.036 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)[C@H]1SCCc2sccc21 ZINC000823344284 606269396 /nfs/dbraw/zinc/26/93/96/606269396.db2.gz TXJCEXZLPLURCH-ZDUSSCGKSA-N -1 3 361.427 3.036 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)c1cc(Cl)nc2ccccc21 ZINC000823343644 606271280 /nfs/dbraw/zinc/27/12/80/606271280.db2.gz CJPRXFHLUMIPLR-UHFFFAOYSA-N -1 3 368.759 3.460 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)c1cc(Cl)nc2ccccc21 ZINC000823343644 606271282 /nfs/dbraw/zinc/27/12/82/606271282.db2.gz CJPRXFHLUMIPLR-UHFFFAOYSA-N -1 3 368.759 3.460 20 0 FGADHM CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820939503 606271546 /nfs/dbraw/zinc/27/15/46/606271546.db2.gz VVRSEDNOTAYKEP-OAHLLOKOSA-N -1 3 355.373 3.110 20 0 FGADHM CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820939503 606271548 /nfs/dbraw/zinc/27/15/48/606271548.db2.gz VVRSEDNOTAYKEP-OAHLLOKOSA-N -1 3 355.373 3.110 20 0 FGADHM CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000820939235 606283175 /nfs/dbraw/zinc/28/31/75/606283175.db2.gz RIZWOHHTHLYTHT-IAGOWNOFSA-N -1 3 364.453 3.004 20 0 FGADHM CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000820939235 606283177 /nfs/dbraw/zinc/28/31/77/606283177.db2.gz RIZWOHHTHLYTHT-IAGOWNOFSA-N -1 3 364.453 3.004 20 0 FGADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CCC[C@@H]1c1cccc2ccccc21 ZINC000823459714 606317285 /nfs/dbraw/zinc/31/72/85/606317285.db2.gz BPHFSHBDXZZXAI-GOSISDBHSA-N -1 3 358.405 3.325 20 0 FGADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CCC[C@@H]1c1cccc2ccccc21 ZINC000823459714 606317286 /nfs/dbraw/zinc/31/72/86/606317286.db2.gz BPHFSHBDXZZXAI-GOSISDBHSA-N -1 3 358.405 3.325 20 0 FGADHM CCC[C@@H](Cc1ccccc1)N(CCC)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000821021275 606319832 /nfs/dbraw/zinc/31/98/32/606319832.db2.gz MVUZMGRMGAKVJF-KRWDZBQOSA-N -1 3 366.469 3.458 20 0 FGADHM CCC[C@@H](Cc1ccccc1)N(CCC)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000821021275 606319835 /nfs/dbraw/zinc/31/98/35/606319835.db2.gz MVUZMGRMGAKVJF-KRWDZBQOSA-N -1 3 366.469 3.458 20 0 FGADHM C[C@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccc(N(C)C)cc1 ZINC000820555060 606323766 /nfs/dbraw/zinc/32/37/66/606323766.db2.gz FQUGPRNZECQGQY-LBPRGKRZSA-N -1 3 368.466 3.052 20 0 FGADHM C[C@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccc(N(C)C)cc1 ZINC000820555060 606323767 /nfs/dbraw/zinc/32/37/67/606323767.db2.gz FQUGPRNZECQGQY-LBPRGKRZSA-N -1 3 368.466 3.052 20 0 FGADHM C[C@@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H](C)c1ccccc1 ZINC000820555912 606326971 /nfs/dbraw/zinc/32/69/71/606326971.db2.gz QSNWDDATEWWKDD-QWHCGFSZSA-N -1 3 353.451 3.225 20 0 FGADHM C[C@@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H](C)c1ccccc1 ZINC000820555912 606326973 /nfs/dbraw/zinc/32/69/73/606326973.db2.gz QSNWDDATEWWKDD-QWHCGFSZSA-N -1 3 353.451 3.225 20 0 FGADHM C[C@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000820556685 606327118 /nfs/dbraw/zinc/32/71/18/606327118.db2.gz VJHHBAZLEYVFDR-STQMWFEESA-N -1 3 365.462 3.325 20 0 FGADHM C[C@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000820556685 606327120 /nfs/dbraw/zinc/32/71/20/606327120.db2.gz VJHHBAZLEYVFDR-STQMWFEESA-N -1 3 365.462 3.325 20 0 FGADHM O=C(Nc1ccc(OCC(F)F)cc1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000823350269 606335251 /nfs/dbraw/zinc/33/52/51/606335251.db2.gz GUGIGCBSFOMDLB-UHFFFAOYSA-N -1 3 360.324 3.155 20 0 FGADHM O=C(Nc1ccc(OCC(F)F)cc1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000823350269 606335252 /nfs/dbraw/zinc/33/52/52/606335252.db2.gz GUGIGCBSFOMDLB-UHFFFAOYSA-N -1 3 360.324 3.155 20 0 FGADHM C[C@H](OC(=O)c1ccc(-c2cnco2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820506631 606342837 /nfs/dbraw/zinc/34/28/37/606342837.db2.gz BZVMYEQELWQGGH-LBPRGKRZSA-N -1 3 361.361 3.440 20 0 FGADHM C[C@H](OC(=O)c1ccc(-c2cnco2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820506631 606342839 /nfs/dbraw/zinc/34/28/39/606342839.db2.gz BZVMYEQELWQGGH-LBPRGKRZSA-N -1 3 361.361 3.440 20 0 FGADHM CCS[C@H]1CCCCN(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000821456923 606345939 /nfs/dbraw/zinc/34/59/39/606345939.db2.gz SOANRVRJFJASCW-LBPRGKRZSA-N -1 3 364.450 3.145 20 0 FGADHM CCS[C@H]1CCCCN(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000821456923 606345941 /nfs/dbraw/zinc/34/59/41/606345941.db2.gz SOANRVRJFJASCW-LBPRGKRZSA-N -1 3 364.450 3.145 20 0 FGADHM C[C@@H](OC(=O)c1ccccc1OC(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000820512520 606346442 /nfs/dbraw/zinc/34/64/42/606346442.db2.gz LUIMNZAVGKEITP-SNVBAGLBSA-N -1 3 360.320 3.386 20 0 FGADHM C[C@@H](OC(=O)c1ccccc1OC(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000820512520 606346444 /nfs/dbraw/zinc/34/64/44/606346444.db2.gz LUIMNZAVGKEITP-SNVBAGLBSA-N -1 3 360.320 3.386 20 0 FGADHM C[C@H](OC(=O)Cc1csc(C(C)(C)C)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820502732 606353150 /nfs/dbraw/zinc/35/31/50/606353150.db2.gz VDYWTYRRECGVJC-NSHDSACASA-N -1 3 371.466 3.468 20 0 FGADHM C[C@H](OC(=O)Cc1csc(C(C)(C)C)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820502732 606353152 /nfs/dbraw/zinc/35/31/52/606353152.db2.gz VDYWTYRRECGVJC-NSHDSACASA-N -1 3 371.466 3.468 20 0 FGADHM Cc1cccc(C)c1OCC(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000822294230 606353465 /nfs/dbraw/zinc/35/34/65/606353465.db2.gz WKDAGKUNMOYTKT-AWEZNQCLSA-N -1 3 352.394 3.167 20 0 FGADHM Cc1cccc(C)c1OCC(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000822294230 606353467 /nfs/dbraw/zinc/35/34/67/606353467.db2.gz WKDAGKUNMOYTKT-AWEZNQCLSA-N -1 3 352.394 3.167 20 0 FGADHM C[C@H](OC(=O)[C@H]1C[C@H]1c1ccc(F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820488809 606354209 /nfs/dbraw/zinc/35/42/09/606354209.db2.gz URCYNSRLXUARHF-GOPGUHFVSA-N -1 3 352.369 3.414 20 0 FGADHM C[C@H](OC(=O)[C@H]1C[C@H]1c1ccc(F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820488809 606354210 /nfs/dbraw/zinc/35/42/10/606354210.db2.gz URCYNSRLXUARHF-GOPGUHFVSA-N -1 3 352.369 3.414 20 0 FGADHM C[C@H](OC(=O)c1coc(-c2ccccc2)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820518291 606354464 /nfs/dbraw/zinc/35/44/64/606354464.db2.gz AFOUCTGHKYGCOT-LBPRGKRZSA-N -1 3 361.361 3.440 20 0 FGADHM C[C@H](OC(=O)c1coc(-c2ccccc2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820518291 606354467 /nfs/dbraw/zinc/35/44/67/606354467.db2.gz AFOUCTGHKYGCOT-LBPRGKRZSA-N -1 3 361.361 3.440 20 0 FGADHM Fc1cc(CSc2ccc(-c3nnn[n-]3)cn2)ccc1Br ZINC000822748158 606367981 /nfs/dbraw/zinc/36/79/81/606367981.db2.gz KPSFKWDZVXNENS-UHFFFAOYSA-N -1 3 366.219 3.456 20 0 FGADHM Fc1cc(CSc2ccc(-c3nn[n-]n3)cn2)ccc1Br ZINC000822748158 606367982 /nfs/dbraw/zinc/36/79/82/606367982.db2.gz KPSFKWDZVXNENS-UHFFFAOYSA-N -1 3 366.219 3.456 20 0 FGADHM Cc1c(C(=O)OCc2ccc(-c3nnn[n-]3)cc2F)cnc2ccccc12 ZINC000822020955 606380984 /nfs/dbraw/zinc/38/09/84/606380984.db2.gz OZOQZTGLXCBYIU-UHFFFAOYSA-N -1 3 363.352 3.219 20 0 FGADHM Cc1c(C(=O)OCc2ccc(-c3nn[n-]n3)cc2F)cnc2ccccc12 ZINC000822020955 606380986 /nfs/dbraw/zinc/38/09/86/606380986.db2.gz OZOQZTGLXCBYIU-UHFFFAOYSA-N -1 3 363.352 3.219 20 0 FGADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)cn1)[C@H](O)c1c(Cl)cccc1Cl ZINC000820456000 606419112 /nfs/dbraw/zinc/41/91/12/606419112.db2.gz PAUIURDGTOHMON-CLAHSXSESA-N -1 3 365.224 3.103 20 0 FGADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cn1)[C@H](O)c1c(Cl)cccc1Cl ZINC000820456000 606419114 /nfs/dbraw/zinc/41/91/14/606419114.db2.gz PAUIURDGTOHMON-CLAHSXSESA-N -1 3 365.224 3.103 20 0 FGADHM CC[C@@H](Nc1cccc(F)c1-c1nnn[n-]1)[C@H](O)c1c(F)cccc1F ZINC000820925959 606419235 /nfs/dbraw/zinc/41/92/35/606419235.db2.gz NPZHZSNZCBDMKI-WBMJQRKESA-N -1 3 363.343 3.208 20 0 FGADHM CC[C@@H](Nc1cccc(F)c1-c1nn[n-]n1)[C@H](O)c1c(F)cccc1F ZINC000820925959 606419237 /nfs/dbraw/zinc/41/92/37/606419237.db2.gz NPZHZSNZCBDMKI-WBMJQRKESA-N -1 3 363.343 3.208 20 0 FGADHM CO[C@@H](C)c1nc(CNc2cc(-c3nnn[n-]3)ccc2OC(C)C)cs1 ZINC000821675800 606430494 /nfs/dbraw/zinc/43/04/94/606430494.db2.gz UDYHMEGQDKDIOE-NSHDSACASA-N -1 3 374.470 3.430 20 0 FGADHM CO[C@@H](C)c1nc(CNc2cc(-c3nn[n-]n3)ccc2OC(C)C)cs1 ZINC000821675800 606430497 /nfs/dbraw/zinc/43/04/97/606430497.db2.gz UDYHMEGQDKDIOE-NSHDSACASA-N -1 3 374.470 3.430 20 0 FGADHM Cc1cc(C)c(-c2nnn[n-]2)c(NCc2c(F)c(F)cc(F)c2F)n1 ZINC000822193499 606430938 /nfs/dbraw/zinc/43/09/38/606430938.db2.gz ZPCGFFDUJGYZFM-UHFFFAOYSA-N -1 3 352.295 3.047 20 0 FGADHM Cc1cc(C)c(-c2nn[n-]n2)c(NCc2c(F)c(F)cc(F)c2F)n1 ZINC000822193499 606430940 /nfs/dbraw/zinc/43/09/40/606430940.db2.gz ZPCGFFDUJGYZFM-UHFFFAOYSA-N -1 3 352.295 3.047 20 0 FGADHM C[C@@H](NC(=O)NCc1cccc(-c2nnn[n-]2)c1)c1c(F)cccc1Cl ZINC000820374654 606440106 /nfs/dbraw/zinc/44/01/06/606440106.db2.gz PQSKSKMMQOCBLU-SNVBAGLBSA-N -1 3 374.807 3.220 20 0 FGADHM C[C@@H](NC(=O)NCc1cccc(-c2nn[n-]n2)c1)c1c(F)cccc1Cl ZINC000820374654 606440108 /nfs/dbraw/zinc/44/01/08/606440108.db2.gz PQSKSKMMQOCBLU-SNVBAGLBSA-N -1 3 374.807 3.220 20 0 FGADHM C[C@H](NC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1c(F)cccc1Cl ZINC000820333646 606444000 /nfs/dbraw/zinc/44/40/00/606444000.db2.gz FPJCMNXLSWMNIO-JTQLQIEISA-N -1 3 359.792 3.079 20 0 FGADHM C[C@H](NC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1c(F)cccc1Cl ZINC000820333646 606444002 /nfs/dbraw/zinc/44/40/02/606444002.db2.gz FPJCMNXLSWMNIO-JTQLQIEISA-N -1 3 359.792 3.079 20 0 FGADHM Cc1cc([C@@H](C)NC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)ccc1F ZINC000822191351 606444071 /nfs/dbraw/zinc/44/40/71/606444071.db2.gz IYFRULUMYVSPKZ-LLVKDONJSA-N -1 3 372.379 3.014 20 0 FGADHM Cc1cc([C@@H](C)NC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)ccc1F ZINC000822191351 606444073 /nfs/dbraw/zinc/44/40/73/606444073.db2.gz IYFRULUMYVSPKZ-LLVKDONJSA-N -1 3 372.379 3.014 20 0 FGADHM CCOc1cc2c(cc1NCc1cccc(-c3nnn[n-]3)c1)O[C@H](C)C2 ZINC000821400479 606451850 /nfs/dbraw/zinc/45/18/50/606451850.db2.gz KHJITPUGNKFYEL-GFCCVEGCSA-N -1 3 351.410 3.201 20 0 FGADHM CCOc1cc2c(cc1NCc1cccc(-c3nn[n-]n3)c1)O[C@H](C)C2 ZINC000821400479 606451851 /nfs/dbraw/zinc/45/18/51/606451851.db2.gz KHJITPUGNKFYEL-GFCCVEGCSA-N -1 3 351.410 3.201 20 0 FGADHM O=C(Nc1ccccc1OCC(F)(F)F)c1cc(-c2nnn[n-]2)cs1 ZINC000823372409 606488297 /nfs/dbraw/zinc/48/82/97/606488297.db2.gz BODRSXVAZJDPHC-UHFFFAOYSA-N -1 3 369.328 3.122 20 0 FGADHM O=C(Nc1ccccc1OCC(F)(F)F)c1cc(-c2nn[n-]n2)cs1 ZINC000823372409 606488298 /nfs/dbraw/zinc/48/82/98/606488298.db2.gz BODRSXVAZJDPHC-UHFFFAOYSA-N -1 3 369.328 3.122 20 0 FGADHM O=C(Nc1cc(Cl)cc2cccnc21)c1cc(-c2nnn[n-]2)cs1 ZINC000823299444 606489414 /nfs/dbraw/zinc/48/94/14/606489414.db2.gz XOKSVSAJTXLVQY-UHFFFAOYSA-N -1 3 356.798 3.382 20 0 FGADHM O=C(Nc1cc(Cl)cc2cccnc21)c1cc(-c2nn[n-]n2)cs1 ZINC000823299444 606489416 /nfs/dbraw/zinc/48/94/16/606489416.db2.gz XOKSVSAJTXLVQY-UHFFFAOYSA-N -1 3 356.798 3.382 20 0 FGADHM O=C(Nc1cccc(OCC(F)(F)F)c1)c1cc(-c2nnn[n-]2)cs1 ZINC000823366996 606493808 /nfs/dbraw/zinc/49/38/08/606493808.db2.gz CITVEMKXRDOTNK-UHFFFAOYSA-N -1 3 369.328 3.122 20 0 FGADHM O=C(Nc1cccc(OCC(F)(F)F)c1)c1cc(-c2nn[n-]n2)cs1 ZINC000823366996 606493809 /nfs/dbraw/zinc/49/38/09/606493809.db2.gz CITVEMKXRDOTNK-UHFFFAOYSA-N -1 3 369.328 3.122 20 0 FGADHM C[C@H]1CCN(C(=O)Cc2cccc(-c3nnn[n-]3)c2)c2ccccc2S1 ZINC000820717129 606498142 /nfs/dbraw/zinc/49/81/42/606498142.db2.gz NZCPJDBUZLKKRY-ZDUSSCGKSA-N -1 3 365.462 3.327 20 0 FGADHM C[C@H]1CCN(C(=O)Cc2cccc(-c3nn[n-]n3)c2)c2ccccc2S1 ZINC000820717129 606498143 /nfs/dbraw/zinc/49/81/43/606498143.db2.gz NZCPJDBUZLKKRY-ZDUSSCGKSA-N -1 3 365.462 3.327 20 0 FGADHM Cc1ccc(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)c(F)c1 ZINC000822226456 606504223 /nfs/dbraw/zinc/50/42/23/606504223.db2.gz SWZYJMCJEDSNRE-UHFFFAOYSA-N -1 3 351.385 3.119 20 0 FGADHM Cc1ccc(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)c(F)c1 ZINC000822226456 606504224 /nfs/dbraw/zinc/50/42/24/606504224.db2.gz SWZYJMCJEDSNRE-UHFFFAOYSA-N -1 3 351.385 3.119 20 0 FGADHM CCCOc1ccc(Cl)cc1NC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821134255 606514784 /nfs/dbraw/zinc/51/47/84/606514784.db2.gz QJDYSLUKVLCDHX-UHFFFAOYSA-N -1 3 371.828 3.490 20 0 FGADHM CCCOc1ccc(Cl)cc1NC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821134255 606514785 /nfs/dbraw/zinc/51/47/85/606514785.db2.gz QJDYSLUKVLCDHX-UHFFFAOYSA-N -1 3 371.828 3.490 20 0 FGADHM CC(C)(C)c1nc2cc(NC(=O)c3ccc(-c4nnn[n-]4)s3)ccc2[nH]1 ZINC000819965678 606520757 /nfs/dbraw/zinc/52/07/57/606520757.db2.gz MOZLKROUMZWZSR-UHFFFAOYSA-N -1 3 367.438 3.354 20 0 FGADHM CC(C)(C)c1nc2cc(NC(=O)c3ccc(-c4nn[n-]n4)s3)ccc2[nH]1 ZINC000819965678 606520758 /nfs/dbraw/zinc/52/07/58/606520758.db2.gz MOZLKROUMZWZSR-UHFFFAOYSA-N -1 3 367.438 3.354 20 0 FGADHM COc1ccccc1[C@H](CC(C)C)NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000821883359 606525468 /nfs/dbraw/zinc/52/54/68/606525468.db2.gz UGXAATBICIAFRC-AWEZNQCLSA-N -1 3 371.466 3.454 20 0 FGADHM COc1ccccc1[C@H](CC(C)C)NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000821883359 606525469 /nfs/dbraw/zinc/52/54/69/606525469.db2.gz UGXAATBICIAFRC-AWEZNQCLSA-N -1 3 371.466 3.454 20 0 FGADHM Cc1nc(-c2ccc(NC(=O)Cc3cccc(-c4nnn[n-]4)c3)cc2)oc1C ZINC000822418658 606529362 /nfs/dbraw/zinc/52/93/62/606529362.db2.gz BZECAMIPGKAKDM-UHFFFAOYSA-N -1 3 374.404 3.320 20 0 FGADHM Cc1nc(-c2ccc(NC(=O)Cc3cccc(-c4nn[n-]n4)c3)cc2)oc1C ZINC000822418658 606529364 /nfs/dbraw/zinc/52/93/64/606529364.db2.gz BZECAMIPGKAKDM-UHFFFAOYSA-N -1 3 374.404 3.320 20 0 FGADHM CCOc1ccccc1[C@@H](CC)NC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821431289 606544427 /nfs/dbraw/zinc/54/44/27/606544427.db2.gz OMSBOHINBIWRKT-QGZVFWFLSA-N -1 3 365.437 3.075 20 0 FGADHM CCOc1ccccc1[C@@H](CC)NC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821431289 606544429 /nfs/dbraw/zinc/54/44/29/606544429.db2.gz OMSBOHINBIWRKT-QGZVFWFLSA-N -1 3 365.437 3.075 20 0 FGADHM C[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)cs2)[C@H]1c1cccc(F)c1 ZINC000820716051 606545820 /nfs/dbraw/zinc/54/58/20/606545820.db2.gz GTCAUPKYZMENSP-ZUZCIYMTSA-N -1 3 357.414 3.291 20 0 FGADHM C[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)cs2)[C@H]1c1cccc(F)c1 ZINC000820716051 606545822 /nfs/dbraw/zinc/54/58/22/606545822.db2.gz GTCAUPKYZMENSP-ZUZCIYMTSA-N -1 3 357.414 3.291 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1ccc(CC(F)(F)F)cc1 ZINC000823103323 606571903 /nfs/dbraw/zinc/57/19/03/606571903.db2.gz FTIWCCGVDYETTH-UHFFFAOYSA-N -1 3 361.327 3.153 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1ccc(CC(F)(F)F)cc1 ZINC000823103323 606571905 /nfs/dbraw/zinc/57/19/05/606571905.db2.gz FTIWCCGVDYETTH-UHFFFAOYSA-N -1 3 361.327 3.153 20 0 FGADHM C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000820668803 606575134 /nfs/dbraw/zinc/57/51/34/606575134.db2.gz WUCCDEQTDMPIJJ-UGSOOPFHSA-N -1 3 365.412 3.158 20 0 FGADHM C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000820668803 606575136 /nfs/dbraw/zinc/57/51/36/606575136.db2.gz WUCCDEQTDMPIJJ-UGSOOPFHSA-N -1 3 365.412 3.158 20 0 FGADHM C[C@@H]1CN(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C[C@H]1C ZINC000820743386 606577881 /nfs/dbraw/zinc/57/78/81/606577881.db2.gz TWAKAUXZGYUHEB-RKDXNWHRSA-N -1 3 354.336 3.005 20 0 FGADHM C[C@@H]1CN(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C[C@H]1C ZINC000820743386 606577883 /nfs/dbraw/zinc/57/78/83/606577883.db2.gz TWAKAUXZGYUHEB-RKDXNWHRSA-N -1 3 354.336 3.005 20 0 FGADHM Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)Cc2cccc(-c3nnn[n-]3)c2)o1 ZINC000822233060 606579781 /nfs/dbraw/zinc/57/97/81/606579781.db2.gz HKYFEUPAWSCKMU-GUYCJALGSA-N -1 3 365.437 3.310 20 0 FGADHM Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)Cc2cccc(-c3nn[n-]n3)c2)o1 ZINC000822233060 606579782 /nfs/dbraw/zinc/57/97/82/606579782.db2.gz HKYFEUPAWSCKMU-GUYCJALGSA-N -1 3 365.437 3.310 20 0 FGADHM Fc1cccc(F)c1OCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000822790969 606589870 /nfs/dbraw/zinc/58/98/70/606589870.db2.gz BQBGHGQWIAUYQP-UHFFFAOYSA-N -1 3 354.263 3.325 20 0 FGADHM Fc1cccc(F)c1OCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000822790969 606589871 /nfs/dbraw/zinc/58/98/71/606589871.db2.gz BQBGHGQWIAUYQP-UHFFFAOYSA-N -1 3 354.263 3.325 20 0 FGADHM CC[C@H](CC(=O)NC1CCN(c2ccccc2-c2nnn[n-]2)CC1)C(C)C ZINC000820881999 606594490 /nfs/dbraw/zinc/59/44/90/606594490.db2.gz HJCJDYVEWIKABS-OAHLLOKOSA-N -1 3 370.501 3.024 20 0 FGADHM CC[C@H](CC(=O)NC1CCN(c2ccccc2-c2nn[n-]n2)CC1)C(C)C ZINC000820881999 606594491 /nfs/dbraw/zinc/59/44/91/606594491.db2.gz HJCJDYVEWIKABS-OAHLLOKOSA-N -1 3 370.501 3.024 20 0 FGADHM O=C(c1ccc(-c2nnn[n-]2)cc1)N1CCCC[C@H]1c1ccc(F)cc1 ZINC000823478796 606602554 /nfs/dbraw/zinc/60/25/54/606602554.db2.gz SRVYJYJOAFYJAY-KRWDZBQOSA-N -1 3 351.385 3.373 20 0 FGADHM O=C(c1ccc(-c2nn[n-]n2)cc1)N1CCCC[C@H]1c1ccc(F)cc1 ZINC000823478796 606602555 /nfs/dbraw/zinc/60/25/55/606602555.db2.gz SRVYJYJOAFYJAY-KRWDZBQOSA-N -1 3 351.385 3.373 20 0 FGADHM CSc1nc(C2CC2)cc(C(=O)NCC2(C(C)C)CC2)c1-c1nnn[n-]1 ZINC000821990921 606606825 /nfs/dbraw/zinc/60/68/25/606606825.db2.gz ZESANWVEGMQUHR-UHFFFAOYSA-N -1 3 372.498 3.027 20 0 FGADHM COc1cccc([C@@H](C)CC(=O)OCc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000821858933 606615534 /nfs/dbraw/zinc/61/55/34/606615534.db2.gz ITDCNIWKELTOPN-LBPRGKRZSA-N -1 3 370.384 3.251 20 0 FGADHM COc1cccc([C@@H](C)CC(=O)OCc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000821858933 606615535 /nfs/dbraw/zinc/61/55/35/606615535.db2.gz ITDCNIWKELTOPN-LBPRGKRZSA-N -1 3 370.384 3.251 20 0 FGADHM C[C@@H](NCc1ccc(-c2nnn[n-]2)o1)c1cccc(OC(F)(F)F)c1 ZINC000820433313 606634989 /nfs/dbraw/zinc/63/49/89/606634989.db2.gz XMLCXOUEMPUSGI-SECBINFHSA-N -1 3 353.304 3.209 20 0 FGADHM CCCN(C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)C(C)(C)C ZINC000821081812 606660589 /nfs/dbraw/zinc/66/05/89/606660589.db2.gz ARZXZAIPRUYCFC-UHFFFAOYSA-N -1 3 359.474 3.453 20 0 FGADHM CCCN(C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)C(C)(C)C ZINC000821081812 606660590 /nfs/dbraw/zinc/66/05/90/606660590.db2.gz ARZXZAIPRUYCFC-UHFFFAOYSA-N -1 3 359.474 3.453 20 0 FGADHM C[C@]1(C(=O)Oc2ccc(-c3ccc(-c4nnn[n-]4)cc3)cc2)CCCO1 ZINC000820576987 606662649 /nfs/dbraw/zinc/66/26/49/606662649.db2.gz FXLIZXUZGPDRNO-LJQANCHMSA-N -1 3 350.378 3.008 20 0 FGADHM C[C@]1(C(=O)Oc2ccc(-c3ccc(-c4nn[n-]n4)cc3)cc2)CCCO1 ZINC000820576987 606662650 /nfs/dbraw/zinc/66/26/50/606662650.db2.gz FXLIZXUZGPDRNO-LJQANCHMSA-N -1 3 350.378 3.008 20 0 FGADHM COC[C@@H](C)CC(=O)Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821681483 606663061 /nfs/dbraw/zinc/66/30/61/606663061.db2.gz LTCBEKSXZLQCGM-ZDUSSCGKSA-N -1 3 352.394 3.112 20 0 FGADHM COC[C@@H](C)CC(=O)Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821681483 606663062 /nfs/dbraw/zinc/66/30/62/606663062.db2.gz LTCBEKSXZLQCGM-ZDUSSCGKSA-N -1 3 352.394 3.112 20 0 FGADHM Cc1ccc(Cl)c(OC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c1 ZINC000822240080 606665288 /nfs/dbraw/zinc/66/52/88/606665288.db2.gz RJRXPTBPYWVQHZ-UHFFFAOYSA-N -1 3 350.712 3.326 20 0 FGADHM Cc1ccc(Cl)c(OC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c1 ZINC000822240080 606665289 /nfs/dbraw/zinc/66/52/89/606665289.db2.gz RJRXPTBPYWVQHZ-UHFFFAOYSA-N -1 3 350.712 3.326 20 0 FGADHM Cc1ccc([C@@H](C)NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c(C)c1 ZINC000822229360 606668080 /nfs/dbraw/zinc/66/80/80/606668080.db2.gz SEQDRFGEKNIBEC-LLVKDONJSA-N -1 3 357.364 3.253 20 0 FGADHM Cc1ccc([C@@H](C)NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c(C)c1 ZINC000822229360 606668081 /nfs/dbraw/zinc/66/80/81/606668081.db2.gz SEQDRFGEKNIBEC-LLVKDONJSA-N -1 3 357.364 3.253 20 0 FGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Cc1cccc(F)c1F ZINC000820117056 606670119 /nfs/dbraw/zinc/67/01/19/606670119.db2.gz SIBGHZXRLUMLQZ-UHFFFAOYSA-N -1 3 371.391 3.125 20 0 FGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Cc1cccc(F)c1F ZINC000820117056 606670120 /nfs/dbraw/zinc/67/01/20/606670120.db2.gz SIBGHZXRLUMLQZ-UHFFFAOYSA-N -1 3 371.391 3.125 20 0 FGADHM CCN(C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1cccc(C)c1C ZINC000821154123 606671073 /nfs/dbraw/zinc/67/10/73/606671073.db2.gz JVIMFRKFBIPRBV-UHFFFAOYSA-N -1 3 357.364 3.428 20 0 FGADHM CCN(C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1cccc(C)c1C ZINC000821154123 606671074 /nfs/dbraw/zinc/67/10/74/606671074.db2.gz JVIMFRKFBIPRBV-UHFFFAOYSA-N -1 3 357.364 3.428 20 0 FGADHM CCC[C@@H](Cc1ccccc1)NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821021322 606676745 /nfs/dbraw/zinc/67/67/45/606676745.db2.gz NDMMGGXMIOUBEN-AWEZNQCLSA-N -1 3 371.391 3.286 20 0 FGADHM CCC[C@@H](Cc1ccccc1)NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821021322 606676746 /nfs/dbraw/zinc/67/67/46/606676746.db2.gz NDMMGGXMIOUBEN-AWEZNQCLSA-N -1 3 371.391 3.286 20 0 FGADHM CC(C)(C)[C@@H]1CCCN(C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)CC1 ZINC000819907913 606679621 /nfs/dbraw/zinc/67/96/21/606679621.db2.gz SSKSQSYAPWGBGW-GFCCVEGCSA-N -1 3 363.412 3.433 20 0 FGADHM CC(C)(C)[C@@H]1CCCN(C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CC1 ZINC000819907913 606679622 /nfs/dbraw/zinc/67/96/22/606679622.db2.gz SSKSQSYAPWGBGW-GFCCVEGCSA-N -1 3 363.412 3.433 20 0 FGADHM C[C@@H]1c2ccc(F)cc2CCN1C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820827014 606681687 /nfs/dbraw/zinc/68/16/87/606681687.db2.gz PXMYKYYHHMLFFD-SECBINFHSA-N -1 3 373.338 3.044 20 0 FGADHM C[C@@H]1c2ccc(F)cc2CCN1C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820827014 606681688 /nfs/dbraw/zinc/68/16/88/606681688.db2.gz PXMYKYYHHMLFFD-SECBINFHSA-N -1 3 373.338 3.044 20 0 FGADHM C[C@]1(C(=O)Oc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)CCCO1 ZINC000820576976 606684874 /nfs/dbraw/zinc/68/48/74/606684874.db2.gz FNMSYOWUBUJUTA-LJQANCHMSA-N -1 3 366.377 3.134 20 0 FGADHM C[C@]1(C(=O)Oc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)CCCO1 ZINC000820576976 606684875 /nfs/dbraw/zinc/68/48/75/606684875.db2.gz FNMSYOWUBUJUTA-LJQANCHMSA-N -1 3 366.377 3.134 20 0 FGADHM CCC1(CC)CCN(C(=O)CSCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820956996 606691198 /nfs/dbraw/zinc/69/11/98/606691198.db2.gz LSKUXOMIJIFQSB-UHFFFAOYSA-N -1 3 359.499 3.139 20 0 FGADHM CCC1(CC)CCN(C(=O)CSCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820956996 606691199 /nfs/dbraw/zinc/69/11/99/606691199.db2.gz LSKUXOMIJIFQSB-UHFFFAOYSA-N -1 3 359.499 3.139 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CCO[C@@H](C)CC(C)C ZINC000821118224 606697104 /nfs/dbraw/zinc/69/71/04/606697104.db2.gz JEKSVSDBPYCSBO-AWEZNQCLSA-N -1 3 374.489 3.468 20 0 FGADHM Cn1ccc2c1cccc2NCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000822689151 606703391 /nfs/dbraw/zinc/70/33/91/606703391.db2.gz FVAAFRUBKVQXAC-UHFFFAOYSA-N -1 3 372.392 3.021 20 0 FGADHM Cn1ccc2c1cccc2NCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822689151 606703392 /nfs/dbraw/zinc/70/33/92/606703392.db2.gz FVAAFRUBKVQXAC-UHFFFAOYSA-N -1 3 372.392 3.021 20 0 FGADHM Clc1ccc(CCNc2cc(-c3nnn[n-]3)c3ccccc3n2)cn1 ZINC000822574677 606722069 /nfs/dbraw/zinc/72/20/69/606722069.db2.gz XKTOQFUROHBDCV-UHFFFAOYSA-N -1 3 351.801 3.118 20 0 FGADHM Clc1ccc(CCNc2cc(-c3nn[n-]n3)c3ccccc3n2)cn1 ZINC000822574677 606722071 /nfs/dbraw/zinc/72/20/71/606722071.db2.gz XKTOQFUROHBDCV-UHFFFAOYSA-N -1 3 351.801 3.118 20 0 FGADHM CC(C)CC1CCN(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000820067460 606744442 /nfs/dbraw/zinc/74/44/42/606744442.db2.gz IUEYHBLJSNRYEC-AWEZNQCLSA-N -1 3 356.474 3.395 20 0 FGADHM CC(C)CC1CCN(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000820067460 606744444 /nfs/dbraw/zinc/74/44/44/606744444.db2.gz IUEYHBLJSNRYEC-AWEZNQCLSA-N -1 3 356.474 3.395 20 0 FGADHM CC(C)Sc1ccccc1NC(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000820183996 606744714 /nfs/dbraw/zinc/74/47/14/606744714.db2.gz RRJNAYZVRGMASS-UHFFFAOYSA-N -1 3 369.450 3.385 20 0 FGADHM CC(C)Sc1ccccc1NC(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000820183996 606744716 /nfs/dbraw/zinc/74/47/16/606744716.db2.gz RRJNAYZVRGMASS-UHFFFAOYSA-N -1 3 369.450 3.385 20 0 FGADHM Cc1nc(CC(C)C)c(C(=O)OCc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000822436446 606749576 /nfs/dbraw/zinc/74/95/76/606749576.db2.gz MPASWMBAIRTPHE-UHFFFAOYSA-N -1 3 357.439 3.187 20 0 FGADHM Cc1nc(CC(C)C)c(C(=O)OCc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000822436446 606749577 /nfs/dbraw/zinc/74/95/77/606749577.db2.gz MPASWMBAIRTPHE-UHFFFAOYSA-N -1 3 357.439 3.187 20 0 FGADHM CCN(CC)C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000821175413 606773326 /nfs/dbraw/zinc/77/33/26/606773326.db2.gz MEHZHPZPEOARKH-UHFFFAOYSA-N -1 3 351.410 3.449 20 0 FGADHM CCN(CC)C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000821175413 606773327 /nfs/dbraw/zinc/77/33/27/606773327.db2.gz MEHZHPZPEOARKH-UHFFFAOYSA-N -1 3 351.410 3.449 20 0 FGADHM Fc1cccc(-c2nnc(COc3cc(Cl)ccc3-c3nnn[n-]3)o2)c1 ZINC000822787332 606781698 /nfs/dbraw/zinc/78/16/98/606781698.db2.gz YTUKSAFTANRJQF-UHFFFAOYSA-N -1 3 372.747 3.288 20 0 FGADHM Fc1cccc(-c2nnc(COc3cc(Cl)ccc3-c3nn[n-]n3)o2)c1 ZINC000822787332 606781699 /nfs/dbraw/zinc/78/16/99/606781699.db2.gz YTUKSAFTANRJQF-UHFFFAOYSA-N -1 3 372.747 3.288 20 0 FGADHM C[C@H](Sc1ncc(C(C)(C)C)o1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000820554981 606786589 /nfs/dbraw/zinc/78/65/89/606786589.db2.gz CVIAQJZBHKIHAG-JTQLQIEISA-N -1 3 372.454 3.272 20 0 FGADHM C[C@H](Sc1ncc(C(C)(C)C)o1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000820554981 606786590 /nfs/dbraw/zinc/78/65/90/606786590.db2.gz CVIAQJZBHKIHAG-JTQLQIEISA-N -1 3 372.454 3.272 20 0 FGADHM c1cc(OCCCSCc2noc3c2CCCC3)cc(-c2nnn[n-]2)c1 ZINC000823763094 606841744 /nfs/dbraw/zinc/84/17/44/606841744.db2.gz ZETJAZOZVATBGA-UHFFFAOYSA-N -1 3 371.466 3.436 20 0 FGADHM c1cc(OCCCSCc2noc3c2CCCC3)cc(-c2nn[n-]n2)c1 ZINC000823763094 606841745 /nfs/dbraw/zinc/84/17/45/606841745.db2.gz ZETJAZOZVATBGA-UHFFFAOYSA-N -1 3 371.466 3.436 20 0 FGADHM O=C1CCCc2ccc(NCCCOc3cccc(-c4nnn[n-]4)c3)cc21 ZINC000823530264 606866096 /nfs/dbraw/zinc/86/60/96/606866096.db2.gz GPIWYJMTNSUVBS-UHFFFAOYSA-N -1 3 363.421 3.267 20 0 FGADHM O=C1CCCc2ccc(NCCCOc3cccc(-c4nn[n-]n4)c3)cc21 ZINC000823530264 606866098 /nfs/dbraw/zinc/86/60/98/606866098.db2.gz GPIWYJMTNSUVBS-UHFFFAOYSA-N -1 3 363.421 3.267 20 0 FGADHM C[C@H](NC(=O)N1[C@H](C)C[C@@H]2CCCC[C@H]21)c1cccc(-c2nnn[n-]2)c1 ZINC000820341312 606870313 /nfs/dbraw/zinc/87/03/13/606870313.db2.gz PUDBWQRPVSJECG-RPCCPQHDSA-N -1 3 354.458 3.290 20 0 FGADHM C[C@H](NC(=O)N1[C@H](C)C[C@@H]2CCCC[C@H]21)c1cccc(-c2nn[n-]n2)c1 ZINC000820341312 606870314 /nfs/dbraw/zinc/87/03/14/606870314.db2.gz PUDBWQRPVSJECG-RPCCPQHDSA-N -1 3 354.458 3.290 20 0 FGADHM CCS[C@@H]1CC[C@@H](N(C)C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000821449112 606871302 /nfs/dbraw/zinc/87/13/02/606871302.db2.gz QCEAFYIVGVVMCI-DAXOMENPSA-N -1 3 374.514 3.243 20 0 FGADHM CCS[C@@H]1CC[C@@H](N(C)C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000821449112 606871303 /nfs/dbraw/zinc/87/13/03/606871303.db2.gz QCEAFYIVGVVMCI-DAXOMENPSA-N -1 3 374.514 3.243 20 0 FGADHM Fc1ccc(Cl)c2c1ncc(-c1nnn[n-]1)c2N[C@H]1CCC(F)(F)C1 ZINC000822774584 606882243 /nfs/dbraw/zinc/88/22/43/606882243.db2.gz MSSSWJMRGROSRB-ZETCQYMHSA-N -1 3 368.750 3.229 20 0 FGADHM Fc1ccc(Cl)c2c1ncc(-c1nn[n-]n1)c2N[C@H]1CCC(F)(F)C1 ZINC000822774584 606882245 /nfs/dbraw/zinc/88/22/45/606882245.db2.gz MSSSWJMRGROSRB-ZETCQYMHSA-N -1 3 368.750 3.229 20 0 FGADHM C[C@@H](COC(=O)CCc1ccc(-c2nnn[n-]2)cc1)COc1ccccc1 ZINC000820287029 606896531 /nfs/dbraw/zinc/89/65/31/606896531.db2.gz JFLHVGKDAFOKQC-OAHLLOKOSA-N -1 3 366.421 3.058 20 0 FGADHM C[C@@H](COC(=O)CCc1ccc(-c2nn[n-]n2)cc1)COc1ccccc1 ZINC000820287029 606896533 /nfs/dbraw/zinc/89/65/33/606896533.db2.gz JFLHVGKDAFOKQC-OAHLLOKOSA-N -1 3 366.421 3.058 20 0 FGADHM C[C@H](c1ccccc1)n1ccc(NCc2cc(-c3nnn[n-]3)cs2)n1 ZINC000820571476 606918743 /nfs/dbraw/zinc/91/87/43/606918743.db2.gz ZFRCXSXDBNEJCK-GFCCVEGCSA-N -1 3 351.439 3.346 20 0 FGADHM C[C@H](c1ccccc1)n1ccc(NCc2cc(-c3nn[n-]n3)cs2)n1 ZINC000820571476 606918745 /nfs/dbraw/zinc/91/87/45/606918745.db2.gz ZFRCXSXDBNEJCK-GFCCVEGCSA-N -1 3 351.439 3.346 20 0 FGADHM CCc1nnc(N[C@H](C)c2c(F)cccc2F)c(-c2nnn[n-]2)c1CC ZINC000821529138 606922684 /nfs/dbraw/zinc/92/26/84/606922684.db2.gz TXYNTLMANVWQKY-SECBINFHSA-N -1 3 359.384 3.233 20 0 FGADHM CCc1nnc(N[C@H](C)c2c(F)cccc2F)c(-c2nn[n-]n2)c1CC ZINC000821529138 606922686 /nfs/dbraw/zinc/92/26/86/606922686.db2.gz TXYNTLMANVWQKY-SECBINFHSA-N -1 3 359.384 3.233 20 0 FGADHM CCc1nnc(N[C@H]2CCc3c2cccc3F)c(-c2nnn[n-]2)c1CC ZINC000821529308 606923593 /nfs/dbraw/zinc/92/35/93/606923593.db2.gz WISWCHVITRPODE-HNNXBMFYSA-N -1 3 353.405 3.020 20 0 FGADHM CCc1nnc(N[C@H]2CCc3c2cccc3F)c(-c2nn[n-]n2)c1CC ZINC000821529308 606923595 /nfs/dbraw/zinc/92/35/95/606923595.db2.gz WISWCHVITRPODE-HNNXBMFYSA-N -1 3 353.405 3.020 20 0 FGADHM CC(C)C1CCC(NC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)CC1 ZINC000820037565 606931249 /nfs/dbraw/zinc/93/12/49/606931249.db2.gz DTTCRQVZIPNZPZ-UHFFFAOYSA-N -1 3 360.437 3.020 20 0 FGADHM CC(C)C1CCC(NC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)CC1 ZINC000820037565 606931251 /nfs/dbraw/zinc/93/12/51/606931251.db2.gz DTTCRQVZIPNZPZ-UHFFFAOYSA-N -1 3 360.437 3.020 20 0 FGADHM CCc1nnc(N[C@H]2CSc3ccccc32)c(-c2nnn[n-]2)c1CC ZINC000821527056 606937033 /nfs/dbraw/zinc/93/70/33/606937033.db2.gz BIIDHEICEJJLST-ZDUSSCGKSA-N -1 3 353.455 3.040 20 0 FGADHM CCc1nnc(N[C@H]2CSc3ccccc32)c(-c2nn[n-]n2)c1CC ZINC000821527056 606937034 /nfs/dbraw/zinc/93/70/34/606937034.db2.gz BIIDHEICEJJLST-ZDUSSCGKSA-N -1 3 353.455 3.040 20 0 FGADHM c1nc2nc(-c3ccccc3)cc(Sc3cccc(-c4nnn[n-]4)c3)n2n1 ZINC000823766862 606945641 /nfs/dbraw/zinc/94/56/41/606945641.db2.gz KVXSQVPJLPURES-UHFFFAOYSA-N -1 3 372.417 3.123 20 0 FGADHM c1nc2nc(-c3ccccc3)cc(Sc3cccc(-c4nn[n-]n4)c3)n2n1 ZINC000823766862 606945642 /nfs/dbraw/zinc/94/56/42/606945642.db2.gz KVXSQVPJLPURES-UHFFFAOYSA-N -1 3 372.417 3.123 20 0 FGADHM C[C@H](C(=O)OCCCOc1cccc(-c2nnn[n-]2)c1)c1ccsc1 ZINC000819884638 606949576 /nfs/dbraw/zinc/94/95/76/606949576.db2.gz YCMYKSHPGYBEMO-LBPRGKRZSA-N -1 3 358.423 3.044 20 0 FGADHM C[C@H](C(=O)OCCCOc1cccc(-c2nn[n-]n2)c1)c1ccsc1 ZINC000819884638 606949577 /nfs/dbraw/zinc/94/95/77/606949577.db2.gz YCMYKSHPGYBEMO-LBPRGKRZSA-N -1 3 358.423 3.044 20 0 FGADHM Cc1ccc(Br)c(C(=O)OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822224825 606953416 /nfs/dbraw/zinc/95/34/16/606953416.db2.gz BNNPDZNDJVWFLW-UHFFFAOYSA-N -1 3 373.210 3.295 20 0 FGADHM Cc1ccc(Br)c(C(=O)OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822224825 606953417 /nfs/dbraw/zinc/95/34/17/606953417.db2.gz BNNPDZNDJVWFLW-UHFFFAOYSA-N -1 3 373.210 3.295 20 0 FGADHM CC(C)COc1ccc([C@@H](C)NC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000820103328 606957058 /nfs/dbraw/zinc/95/70/58/606957058.db2.gz UZLRFVPDZNNNGE-CQSZACIVSA-N -1 3 365.437 3.393 20 0 FGADHM CC(C)COc1ccc([C@@H](C)NC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000820103328 606957060 /nfs/dbraw/zinc/95/70/60/606957060.db2.gz UZLRFVPDZNNNGE-CQSZACIVSA-N -1 3 365.437 3.393 20 0 FGADHM Cc1cc(F)c(C(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)cc1F ZINC000822202296 606961710 /nfs/dbraw/zinc/96/17/10/606961710.db2.gz UYKPJLLKMBHGCJ-UHFFFAOYSA-N -1 3 363.755 3.383 20 0 FGADHM Cc1cc(F)c(C(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)cc1F ZINC000822202296 606961711 /nfs/dbraw/zinc/96/17/11/606961711.db2.gz UYKPJLLKMBHGCJ-UHFFFAOYSA-N -1 3 363.755 3.383 20 0 FGADHM C[C@H](OCc1ccccc1)C(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000820518587 606961921 /nfs/dbraw/zinc/96/19/21/606961921.db2.gz HGSUNGIDMCLQHY-LBPRGKRZSA-N -1 3 371.828 3.088 20 0 FGADHM C[C@H](OCc1ccccc1)C(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000820518587 606961923 /nfs/dbraw/zinc/96/19/23/606961923.db2.gz HGSUNGIDMCLQHY-LBPRGKRZSA-N -1 3 371.828 3.088 20 0 FGADHM CN(C(=O)Cc1ccc(Cl)c(Cl)c1)c1ccccc1-c1nnn[n-]1 ZINC000821571031 606973303 /nfs/dbraw/zinc/97/33/03/606973303.db2.gz WMHRDGQBDGWLLB-UHFFFAOYSA-N -1 3 362.220 3.379 20 0 FGADHM CN(C(=O)Cc1ccc(Cl)c(Cl)c1)c1ccccc1-c1nn[n-]n1 ZINC000821571031 606973305 /nfs/dbraw/zinc/97/33/05/606973305.db2.gz WMHRDGQBDGWLLB-UHFFFAOYSA-N -1 3 362.220 3.379 20 0 FGADHM CCS[C@@H](C)c1noc(COc2cc(Cl)ccc2-c2nnn[n-]2)n1 ZINC000821449355 606982255 /nfs/dbraw/zinc/98/22/55/606982255.db2.gz SGBSSZDSCWUVNG-QMMMGPOBSA-N -1 3 366.834 3.296 20 0 FGADHM CCS[C@@H](C)c1noc(COc2cc(Cl)ccc2-c2nn[n-]n2)n1 ZINC000821449355 606982256 /nfs/dbraw/zinc/98/22/56/606982256.db2.gz SGBSSZDSCWUVNG-QMMMGPOBSA-N -1 3 366.834 3.296 20 0 FGADHM Cc1ccc2c(CC(=O)OCc3ccc(F)c(-c4nnn[n-]4)c3)c[nH]c2c1 ZINC000822275373 606999237 /nfs/dbraw/zinc/99/92/37/606999237.db2.gz SDQPFHCJOZXYIG-UHFFFAOYSA-N -1 3 365.368 3.081 20 0 FGADHM Cc1ccc2c(CC(=O)OCc3ccc(F)c(-c4nn[n-]n4)c3)c[nH]c2c1 ZINC000822275373 606999238 /nfs/dbraw/zinc/99/92/38/606999238.db2.gz SDQPFHCJOZXYIG-UHFFFAOYSA-N -1 3 365.368 3.081 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)c1cc(Cl)nc(Cl)c1 ZINC000823422622 607001057 /nfs/dbraw/zinc/00/10/57/607001057.db2.gz YVOPSBHGDVRTSH-UHFFFAOYSA-N -1 3 368.155 3.065 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)c1cc(Cl)nc(Cl)c1 ZINC000823422622 607001058 /nfs/dbraw/zinc/00/10/58/607001058.db2.gz YVOPSBHGDVRTSH-UHFFFAOYSA-N -1 3 368.155 3.065 20 0 FGADHM Cc1ccc2cccc(C(=O)OCc3ccc(F)c(-c4nnn[n-]4)c3)c2n1 ZINC000822280864 607001708 /nfs/dbraw/zinc/00/17/08/607001708.db2.gz ZNEPJEJWFYMJFN-UHFFFAOYSA-N -1 3 363.352 3.219 20 0 FGADHM Cc1ccc2cccc(C(=O)OCc3ccc(F)c(-c4nn[n-]n4)c3)c2n1 ZINC000822280864 607001710 /nfs/dbraw/zinc/00/17/10/607001710.db2.gz ZNEPJEJWFYMJFN-UHFFFAOYSA-N -1 3 363.352 3.219 20 0 FGADHM COc1cccc(C(C)=CC(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000821859237 607003992 /nfs/dbraw/zinc/00/39/92/607003992.db2.gz MVRPQYUKSHNKGX-XYOKQWHBSA-N -1 3 368.368 3.161 20 0 FGADHM COc1cccc(C(C)=CC(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000821859237 607003993 /nfs/dbraw/zinc/00/39/93/607003993.db2.gz MVRPQYUKSHNKGX-XYOKQWHBSA-N -1 3 368.368 3.161 20 0 FGADHM c1cc(-c2nnn[n-]2)oc1CN[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000823802482 607008610 /nfs/dbraw/zinc/00/86/10/607008610.db2.gz QDWVJLKRICYUSJ-HNNXBMFYSA-N -1 3 351.410 3.386 20 0 FGADHM c1cc(-c2nn[n-]n2)oc1CN[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000823802482 607008611 /nfs/dbraw/zinc/00/86/11/607008611.db2.gz QDWVJLKRICYUSJ-HNNXBMFYSA-N -1 3 351.410 3.386 20 0 FGADHM CC(C)(C)OC(=O)N1CC[C@@H](CSc2cccc(-c3nnn[n-]3)c2)C1 ZINC000819933422 607009938 /nfs/dbraw/zinc/00/99/38/607009938.db2.gz RETKZTMWBWWTPK-GFCCVEGCSA-N -1 3 361.471 3.216 20 0 FGADHM CC(C)(C)OC(=O)N1CC[C@@H](CSc2cccc(-c3nn[n-]n3)c2)C1 ZINC000819933422 607009940 /nfs/dbraw/zinc/00/99/40/607009940.db2.gz RETKZTMWBWWTPK-GFCCVEGCSA-N -1 3 361.471 3.216 20 0 FGADHM Cc1ccccc1CN(C)C(=O)[C@H](C)Sc1cccc(-c2nnn[n-]2)c1 ZINC000822356460 607013827 /nfs/dbraw/zinc/01/38/27/607013827.db2.gz TYZDESGGVQTJDZ-AWEZNQCLSA-N -1 3 367.478 3.314 20 0 FGADHM Cc1ccccc1CN(C)C(=O)[C@H](C)Sc1cccc(-c2nn[n-]n2)c1 ZINC000822356460 607013829 /nfs/dbraw/zinc/01/38/29/607013829.db2.gz TYZDESGGVQTJDZ-AWEZNQCLSA-N -1 3 367.478 3.314 20 0 FGADHM O=C(CSc1cccc(-c2nnn[n-]2)c1)Nc1nc2ccccc2s1 ZINC000823070670 607014354 /nfs/dbraw/zinc/01/43/54/607014354.db2.gz JPHGTSUGOKJDNZ-UHFFFAOYSA-N -1 3 368.447 3.207 20 0 FGADHM O=C(CSc1cccc(-c2nn[n-]n2)c1)Nc1nc2ccccc2s1 ZINC000823070670 607014357 /nfs/dbraw/zinc/01/43/57/607014357.db2.gz JPHGTSUGOKJDNZ-UHFFFAOYSA-N -1 3 368.447 3.207 20 0 FGADHM CC(C)[C@@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)NC1CCCCC1 ZINC000820032631 607014628 /nfs/dbraw/zinc/01/46/28/607014628.db2.gz PDTCHNXVOJABCV-MRXNPFEDSA-N -1 3 359.499 3.432 20 0 FGADHM CC(C)[C@@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)NC1CCCCC1 ZINC000820032631 607014629 /nfs/dbraw/zinc/01/46/29/607014629.db2.gz PDTCHNXVOJABCV-MRXNPFEDSA-N -1 3 359.499 3.432 20 0 FGADHM c1cc(SCCCOc2ccc3c(c2)OCO3)cc(-c2nnn[n-]2)c1 ZINC000823762088 607016320 /nfs/dbraw/zinc/01/63/20/607016320.db2.gz IFZLVVJPSBHTES-UHFFFAOYSA-N -1 3 356.407 3.157 20 0 FGADHM c1cc(SCCCOc2ccc3c(c2)OCO3)cc(-c2nn[n-]n2)c1 ZINC000823762088 607016321 /nfs/dbraw/zinc/01/63/21/607016321.db2.gz IFZLVVJPSBHTES-UHFFFAOYSA-N -1 3 356.407 3.157 20 0 FGADHM Cc1cn(CC(=O)N[C@H](C)c2ccc3ccccc3c2)cc1-c1nnn[n-]1 ZINC000822383777 607021617 /nfs/dbraw/zinc/02/16/17/607021617.db2.gz BXTJLXAIICHDPD-CQSZACIVSA-N -1 3 360.421 3.007 20 0 FGADHM Cc1cn(CC(=O)N[C@H](C)c2ccc3ccccc3c2)cc1-c1nn[n-]n1 ZINC000822383777 607021619 /nfs/dbraw/zinc/02/16/19/607021619.db2.gz BXTJLXAIICHDPD-CQSZACIVSA-N -1 3 360.421 3.007 20 0 FGADHM O=C(Cc1ccco1)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000823115574 607025318 /nfs/dbraw/zinc/02/53/18/607025318.db2.gz QSVHZFLNZZJITL-UHFFFAOYSA-N -1 3 365.418 3.047 20 0 FGADHM Fc1ccc(-c2nnn[n-]2)c(CSc2nc3cc(F)c(F)cc3[nH]2)c1 ZINC000822758705 607040462 /nfs/dbraw/zinc/04/04/62/607040462.db2.gz WQVXVUBBOCFGMV-UHFFFAOYSA-N -1 3 362.340 3.453 20 0 FGADHM Fc1ccc(-c2nn[n-]n2)c(CSc2nc3cc(F)c(F)cc3[nH]2)c1 ZINC000822758705 607040464 /nfs/dbraw/zinc/04/04/64/607040464.db2.gz WQVXVUBBOCFGMV-UHFFFAOYSA-N -1 3 362.340 3.453 20 0 FGADHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2N1CC[C@H](OCC(C)C)C1 ZINC000822204132 607044915 /nfs/dbraw/zinc/04/49/15/607044915.db2.gz FTNOXVHBNQTYRO-AWEZNQCLSA-N -1 3 370.432 3.114 20 0 FGADHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2N1CC[C@H](OCC(C)C)C1 ZINC000822204132 607044917 /nfs/dbraw/zinc/04/49/17/607044917.db2.gz FTNOXVHBNQTYRO-AWEZNQCLSA-N -1 3 370.432 3.114 20 0 FGADHM CC(C)C[C@@H]1CCCN(C(=O)CSCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820067840 607051954 /nfs/dbraw/zinc/05/19/54/607051954.db2.gz MNJJFCVQMXYHTG-INIZCTEOSA-N -1 3 373.526 3.385 20 0 FGADHM CC(C)C[C@@H]1CCCN(C(=O)CSCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820067840 607051955 /nfs/dbraw/zinc/05/19/55/607051955.db2.gz MNJJFCVQMXYHTG-INIZCTEOSA-N -1 3 373.526 3.385 20 0 FGADHM CCCc1nc(C)c(C(=O)OCc2cc(F)ccc2-c2nnn[n-]2)s1 ZINC000821143395 607079091 /nfs/dbraw/zinc/07/90/91/607079091.db2.gz USCVWOOEMTVUJI-UHFFFAOYSA-N -1 3 361.402 3.080 20 0 FGADHM CCCc1nc(C)c(C(=O)OCc2cc(F)ccc2-c2nn[n-]n2)s1 ZINC000821143395 607079093 /nfs/dbraw/zinc/07/90/93/607079093.db2.gz USCVWOOEMTVUJI-UHFFFAOYSA-N -1 3 361.402 3.080 20 0 FGADHM O=C(CCc1ccc(Cl)s1)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000822979089 607079676 /nfs/dbraw/zinc/07/96/76/607079676.db2.gz WOFYMPBHHVZCBE-UHFFFAOYSA-N -1 3 366.805 3.397 20 0 FGADHM O=C(CCc1ccc(Cl)s1)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000822979089 607079677 /nfs/dbraw/zinc/07/96/77/607079677.db2.gz WOFYMPBHHVZCBE-UHFFFAOYSA-N -1 3 366.805 3.397 20 0 FGADHM COc1ccc(CCCC(=O)OCc2cc(F)ccc2-c2nnn[n-]2)cc1 ZINC000821790474 607080739 /nfs/dbraw/zinc/08/07/39/607080739.db2.gz OLRWELPSXBAFKT-UHFFFAOYSA-N -1 3 370.384 3.081 20 0 FGADHM COc1ccc(CCCC(=O)OCc2cc(F)ccc2-c2nn[n-]n2)cc1 ZINC000821790474 607080740 /nfs/dbraw/zinc/08/07/40/607080740.db2.gz OLRWELPSXBAFKT-UHFFFAOYSA-N -1 3 370.384 3.081 20 0 FGADHM CC1(C)C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)cs2)c2ccc(F)cc2O1 ZINC000820590358 607099297 /nfs/dbraw/zinc/09/92/97/607099297.db2.gz STMWHSXRUWUUIS-GFCCVEGCSA-N -1 3 373.413 3.100 20 0 FGADHM CC1(C)C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)cs2)c2ccc(F)cc2O1 ZINC000820590358 607099299 /nfs/dbraw/zinc/09/92/99/607099299.db2.gz STMWHSXRUWUUIS-GFCCVEGCSA-N -1 3 373.413 3.100 20 0 FGADHM Cc1cc(C)n(-c2ccc([C@@H](C)Nc3ccc(-c4nnn[n-]4)cn3)cc2)n1 ZINC000822197696 607110156 /nfs/dbraw/zinc/11/01/56/607110156.db2.gz LJNWRDNPMAHWDG-CQSZACIVSA-N -1 3 360.425 3.237 20 0 FGADHM Cc1cc(C)n(-c2ccc([C@@H](C)Nc3ccc(-c4nn[n-]n4)cn3)cc2)n1 ZINC000822197696 607110157 /nfs/dbraw/zinc/11/01/57/607110157.db2.gz LJNWRDNPMAHWDG-CQSZACIVSA-N -1 3 360.425 3.237 20 0 FGADHM C[C@H](Cc1ccccc1Br)Nc1ncccc1-c1nnn[n-]1 ZINC000820301106 607114084 /nfs/dbraw/zinc/11/40/84/607114084.db2.gz UTTQFIFINGTVEQ-SNVBAGLBSA-N -1 3 359.231 3.067 20 0 FGADHM C[C@H](Cc1ccccc1Br)Nc1ncccc1-c1nn[n-]n1 ZINC000820301106 607114085 /nfs/dbraw/zinc/11/40/85/607114085.db2.gz UTTQFIFINGTVEQ-SNVBAGLBSA-N -1 3 359.231 3.067 20 0 FGADHM C[C@H](c1ccccc1)n1ccc(Nc2ncc(-c3nnn[n-]3)cc2Cl)n1 ZINC000820570008 607118785 /nfs/dbraw/zinc/11/87/85/607118785.db2.gz BSVAWKWDVCSSSQ-LLVKDONJSA-N -1 3 366.816 3.465 20 0 FGADHM C[C@H](c1ccccc1)n1ccc(Nc2ncc(-c3nn[n-]n3)cc2Cl)n1 ZINC000820570008 607118787 /nfs/dbraw/zinc/11/87/87/607118787.db2.gz BSVAWKWDVCSSSQ-LLVKDONJSA-N -1 3 366.816 3.465 20 0 FGADHM Fc1ccc(-c2nc(COc3ccc(-c4nnn[n-]4)cc3F)co2)cc1 ZINC000822754002 607136915 /nfs/dbraw/zinc/13/69/15/607136915.db2.gz VUXJNMWOZRACPV-UHFFFAOYSA-N -1 3 355.304 3.379 20 0 FGADHM Fc1ccc(-c2nc(COc3ccc(-c4nn[n-]n4)cc3F)co2)cc1 ZINC000822754002 607136917 /nfs/dbraw/zinc/13/69/17/607136917.db2.gz VUXJNMWOZRACPV-UHFFFAOYSA-N -1 3 355.304 3.379 20 0 FGADHM CC(C)c1ccccc1NC(=O)COc1ccc(-c2nnn[n-]2)cc1F ZINC000820197512 607136970 /nfs/dbraw/zinc/13/69/70/607136970.db2.gz KOEDEZKVKHJNKH-UHFFFAOYSA-N -1 3 355.373 3.147 20 0 FGADHM CC(C)c1ccccc1NC(=O)COc1ccc(-c2nn[n-]n2)cc1F ZINC000820197512 607136973 /nfs/dbraw/zinc/13/69/73/607136973.db2.gz KOEDEZKVKHJNKH-UHFFFAOYSA-N -1 3 355.373 3.147 20 0 FGADHM Fc1cccc(-c2cnc(COc3ccc(-c4nnn[n-]4)cc3F)o2)c1 ZINC000822787280 607137243 /nfs/dbraw/zinc/13/72/43/607137243.db2.gz WURUWPGWBKQYQR-UHFFFAOYSA-N -1 3 355.304 3.379 20 0 FGADHM Fc1cccc(-c2cnc(COc3ccc(-c4nn[n-]n4)cc3F)o2)c1 ZINC000822787280 607137245 /nfs/dbraw/zinc/13/72/45/607137245.db2.gz WURUWPGWBKQYQR-UHFFFAOYSA-N -1 3 355.304 3.379 20 0 FGADHM CCc1cc(C)c(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)o1 ZINC000821470445 607145530 /nfs/dbraw/zinc/14/55/30/607145530.db2.gz PGZQLKDOUSUODQ-UHFFFAOYSA-N -1 3 351.410 3.135 20 0 FGADHM CCc1cc(C)c(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)o1 ZINC000821470445 607145531 /nfs/dbraw/zinc/14/55/31/607145531.db2.gz PGZQLKDOUSUODQ-UHFFFAOYSA-N -1 3 351.410 3.135 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)NCCCF)cc1 ZINC000822145190 607162662 /nfs/dbraw/zinc/16/26/62/607162662.db2.gz OQEUOHIBEKDIPG-UHFFFAOYSA-N -1 3 355.373 3.057 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)NCCCF)cc1 ZINC000822145190 607162664 /nfs/dbraw/zinc/16/26/64/607162664.db2.gz OQEUOHIBEKDIPG-UHFFFAOYSA-N -1 3 355.373 3.057 20 0 FGADHM CC(C)CC[C@@H]1CCCN1C(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000820073782 607163711 /nfs/dbraw/zinc/16/37/11/607163711.db2.gz VPOBVOFCNXWLNX-ZBFHGGJFSA-N -1 3 357.458 3.061 20 0 FGADHM Cc1ccc(Cl)cc1NCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000822239785 607165943 /nfs/dbraw/zinc/16/59/43/607165943.db2.gz DNSCJBSFBPCEKL-UHFFFAOYSA-N -1 3 367.800 3.491 20 0 FGADHM Cc1ccc(Cl)cc1NCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000822239785 607165944 /nfs/dbraw/zinc/16/59/44/607165944.db2.gz DNSCJBSFBPCEKL-UHFFFAOYSA-N -1 3 367.800 3.491 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N[C@@H]1CCOC2(CCCCC2)C1 ZINC000823337506 607194776 /nfs/dbraw/zinc/19/47/76/607194776.db2.gz MQSHMQVKAMLXRC-CYBMUJFWSA-N -1 3 374.420 3.009 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N[C@@H]1CCOC2(CCCCC2)C1 ZINC000823337506 607194777 /nfs/dbraw/zinc/19/47/77/607194777.db2.gz MQSHMQVKAMLXRC-CYBMUJFWSA-N -1 3 374.420 3.009 20 0 FGADHM Cc1cc([C@@H]2CCCN2C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)on1 ZINC000822198814 607197721 /nfs/dbraw/zinc/19/77/21/607197721.db2.gz LAASHZFOAMECIN-ZDUSSCGKSA-N -1 3 373.804 3.186 20 0 FGADHM Cc1cc([C@@H]2CCCN2C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)on1 ZINC000822198814 607197722 /nfs/dbraw/zinc/19/77/22/607197722.db2.gz LAASHZFOAMECIN-ZDUSSCGKSA-N -1 3 373.804 3.186 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N1CCCC[C@@H]1c1ncc[nH]1 ZINC000823315005 607204919 /nfs/dbraw/zinc/20/49/19/607204919.db2.gz WHMMVFWWHNIZQY-CYBMUJFWSA-N -1 3 372.820 3.002 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N1CCCC[C@@H]1c1ncc[nH]1 ZINC000823315005 607204920 /nfs/dbraw/zinc/20/49/20/607204920.db2.gz WHMMVFWWHNIZQY-CYBMUJFWSA-N -1 3 372.820 3.002 20 0 FGADHM O=C(c1cc(-c2nnn[n-]2)cs1)N1CCCCC[C@H]1[C@@H]1CCCCC1=O ZINC000823525407 607222586 /nfs/dbraw/zinc/22/25/86/607222586.db2.gz MXISTRXTEKNKAJ-KBPBESRZSA-N -1 3 373.482 3.072 20 0 FGADHM O=C(c1cc(-c2nn[n-]n2)cs1)N1CCCCC[C@H]1[C@@H]1CCCCC1=O ZINC000823525407 607222587 /nfs/dbraw/zinc/22/25/87/607222587.db2.gz MXISTRXTEKNKAJ-KBPBESRZSA-N -1 3 373.482 3.072 20 0 FGADHM Cc1noc(C)c1CN(C)c1cc(-c2nnn[n-]2)ccc1C(F)(F)F ZINC000822523100 607227728 /nfs/dbraw/zinc/22/77/28/607227728.db2.gz PPFRRJQIZSTJKZ-UHFFFAOYSA-N -1 3 352.320 3.127 20 0 FGADHM Cc1noc(C)c1CN(C)c1cc(-c2nn[n-]n2)ccc1C(F)(F)F ZINC000822523100 607227729 /nfs/dbraw/zinc/22/77/29/607227729.db2.gz PPFRRJQIZSTJKZ-UHFFFAOYSA-N -1 3 352.320 3.127 20 0 FGADHM CCc1cc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCC3)oc1CC ZINC000821469552 607235512 /nfs/dbraw/zinc/23/55/12/607235512.db2.gz FDCHMFVHBSJZOO-UHFFFAOYSA-N -1 3 357.439 3.387 20 0 FGADHM CCc1cc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)oc1CC ZINC000821469552 607235513 /nfs/dbraw/zinc/23/55/13/607235513.db2.gz FDCHMFVHBSJZOO-UHFFFAOYSA-N -1 3 357.439 3.387 20 0 FGADHM Cc1sc(NC(=O)c2ccnn2C2CCCC2)c(-c2nnn[n-]2)c1C ZINC000822564331 607236083 /nfs/dbraw/zinc/23/60/83/607236083.db2.gz ZZBCSZWEELOYFD-UHFFFAOYSA-N -1 3 357.443 3.109 20 0 FGADHM Cc1sc(NC(=O)c2ccnn2C2CCCC2)c(-c2nn[n-]n2)c1C ZINC000822564331 607236084 /nfs/dbraw/zinc/23/60/84/607236084.db2.gz ZZBCSZWEELOYFD-UHFFFAOYSA-N -1 3 357.443 3.109 20 0 FGADHM O=C(Nc1sccc1-c1nnn[n-]1)c1ccc(F)cc1C(F)(F)F ZINC000823387328 607236167 /nfs/dbraw/zinc/23/61/67/607236167.db2.gz IKYUXOZTPLTDHP-UHFFFAOYSA-N -1 3 357.292 3.338 20 0 FGADHM O=C(Nc1sccc1-c1nn[n-]n1)c1ccc(F)cc1C(F)(F)F ZINC000823387328 607236168 /nfs/dbraw/zinc/23/61/68/607236168.db2.gz IKYUXOZTPLTDHP-UHFFFAOYSA-N -1 3 357.292 3.338 20 0 FGADHM O=C(CCCOc1ccccc1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000822958835 607240884 /nfs/dbraw/zinc/24/08/84/607240884.db2.gz JGEQNVANOUPMJU-UHFFFAOYSA-N -1 3 357.801 3.318 20 0 FGADHM O=C(CCCOc1ccccc1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822958835 607240885 /nfs/dbraw/zinc/24/08/85/607240885.db2.gz JGEQNVANOUPMJU-UHFFFAOYSA-N -1 3 357.801 3.318 20 0 FGADHM CC(C)COc1ncccc1C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820102803 607242160 /nfs/dbraw/zinc/24/21/60/607242160.db2.gz LIISDKQARZPJAS-UHFFFAOYSA-N -1 3 372.816 3.202 20 0 FGADHM CC(C)COc1ncccc1C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820102803 607242161 /nfs/dbraw/zinc/24/21/61/607242161.db2.gz LIISDKQARZPJAS-UHFFFAOYSA-N -1 3 372.816 3.202 20 0 FGADHM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000820938179 607246799 /nfs/dbraw/zinc/24/67/99/607246799.db2.gz HHSNRNPPOPKASE-KYOSRNDESA-N -1 3 362.405 3.285 20 0 FGADHM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000820938179 607246800 /nfs/dbraw/zinc/24/68/00/607246800.db2.gz HHSNRNPPOPKASE-KYOSRNDESA-N -1 3 362.405 3.285 20 0 FGADHM COc1ccccc1C[C@@H](C)CC(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000821889825 607249537 /nfs/dbraw/zinc/24/95/37/607249537.db2.gz GMPBOOFWWBLLQJ-GFCCVEGCSA-N -1 3 370.384 3.189 20 0 FGADHM COc1ccccc1C[C@@H](C)CC(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000821889825 607249538 /nfs/dbraw/zinc/24/95/38/607249538.db2.gz GMPBOOFWWBLLQJ-GFCCVEGCSA-N -1 3 370.384 3.189 20 0 FGADHM CCOc1ccc(NC(=S)Nc2cccc(-c3nnn[n-]3)c2C)cc1 ZINC000821421989 607251976 /nfs/dbraw/zinc/25/19/76/607251976.db2.gz JDMJKSMFLCTFSH-UHFFFAOYSA-N -1 3 354.439 3.383 20 0 FGADHM CCOc1ccc(NC(=S)Nc2cccc(-c3nn[n-]n3)c2C)cc1 ZINC000821421989 607251977 /nfs/dbraw/zinc/25/19/77/607251977.db2.gz JDMJKSMFLCTFSH-UHFFFAOYSA-N -1 3 354.439 3.383 20 0 FGADHM c1ccc(-c2nnn[n-]2)c(OCCSCc2nc(C3CCCC3)no2)c1 ZINC000826519741 607785250 /nfs/dbraw/zinc/78/52/50/607785250.db2.gz LYQYRCUVKCBQMC-UHFFFAOYSA-N -1 3 372.454 3.220 20 0 FGADHM c1ccc(-c2nn[n-]n2)c(OCCSCc2nc(C3CCCC3)no2)c1 ZINC000826519741 607785251 /nfs/dbraw/zinc/78/52/51/607785251.db2.gz LYQYRCUVKCBQMC-UHFFFAOYSA-N -1 3 372.454 3.220 20 0 FGADHM c1cc(-c2nn[n-]n2)ccc1OCCSCc1nc(C2CCCC2)no1 ZINC000826514004 607785285 /nfs/dbraw/zinc/78/52/85/607785285.db2.gz CURANGIVAVONEA-UHFFFAOYSA-N -1 3 372.454 3.220 20 0 FGADHM CN(C(=O)c1ccc(F)c(C(F)(F)F)c1)c1ccccc1-c1nnn[n-]1 ZINC000825829383 607788448 /nfs/dbraw/zinc/78/84/48/607788448.db2.gz DMDZQYSMGHOBBI-UHFFFAOYSA-N -1 3 365.290 3.301 20 0 FGADHM CN(C(=O)c1ccc(F)c(C(F)(F)F)c1)c1ccccc1-c1nn[n-]n1 ZINC000825829383 607788449 /nfs/dbraw/zinc/78/84/49/607788449.db2.gz DMDZQYSMGHOBBI-UHFFFAOYSA-N -1 3 365.290 3.301 20 0 FGADHM C[C@H](NC(=O)NCC(C)(C)C1CCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824498616 607792843 /nfs/dbraw/zinc/79/28/43/607792843.db2.gz IYHGHWVQMXTFJH-ZDUSSCGKSA-N -1 3 356.474 3.443 20 0 FGADHM C[C@H](NC(=O)NCC(C)(C)C1CCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824498616 607792844 /nfs/dbraw/zinc/79/28/44/607792844.db2.gz IYHGHWVQMXTFJH-ZDUSSCGKSA-N -1 3 356.474 3.443 20 0 FGADHM Cc1ccc(C(=O)N(Cc2ccccc2)c2ccccc2-c2nnn[n-]2)nc1 ZINC000826282023 607794203 /nfs/dbraw/zinc/79/42/03/607794203.db2.gz UYTYRTLIZZBBBY-UHFFFAOYSA-N -1 3 370.416 3.417 20 0 FGADHM Cc1ccc(C(=O)N(Cc2ccccc2)c2ccccc2-c2nn[n-]n2)nc1 ZINC000826282023 607794204 /nfs/dbraw/zinc/79/42/04/607794204.db2.gz UYTYRTLIZZBBBY-UHFFFAOYSA-N -1 3 370.416 3.417 20 0 FGADHM CCN(C(=O)c1cnn(CCC(C)C)c1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825390647 607800362 /nfs/dbraw/zinc/80/03/62/607800362.db2.gz JBNUCGZLXPTWEG-UHFFFAOYSA-N -1 3 367.457 3.084 20 0 FGADHM CCN(C(=O)c1cnn(CCC(C)C)c1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825390647 607800363 /nfs/dbraw/zinc/80/03/63/607800363.db2.gz JBNUCGZLXPTWEG-UHFFFAOYSA-N -1 3 367.457 3.084 20 0 FGADHM CCN(C(=O)c1nc(C(C)C)ncc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000825390468 607800440 /nfs/dbraw/zinc/80/04/40/607800440.db2.gz FYSZYHMHFFFVLG-UHFFFAOYSA-N -1 3 371.832 3.100 20 0 FGADHM CCN(C(=O)c1nc(C(C)C)ncc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000825390468 607800441 /nfs/dbraw/zinc/80/04/41/607800441.db2.gz FYSZYHMHFFFVLG-UHFFFAOYSA-N -1 3 371.832 3.100 20 0 FGADHM C[C@H](OC(=O)c1cc(-c2nnn[n-]2)cn1C)c1ccc(C(F)(F)F)cc1 ZINC000820506927 607800971 /nfs/dbraw/zinc/80/09/71/607800971.db2.gz DOYRTGMJGPXQDY-VIFPVBQESA-N -1 3 365.315 3.142 20 0 FGADHM C[C@H](OC(=O)c1cc(-c2nn[n-]n2)cn1C)c1ccc(C(F)(F)F)cc1 ZINC000820506927 607800972 /nfs/dbraw/zinc/80/09/72/607800972.db2.gz DOYRTGMJGPXQDY-VIFPVBQESA-N -1 3 365.315 3.142 20 0 FGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)NCCC1=CCCC1 ZINC000824319379 607802767 /nfs/dbraw/zinc/80/27/67/607802767.db2.gz OBDQPZHMUYZDSF-UHFFFAOYSA-N -1 3 356.430 3.276 20 0 FGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)NCCC1=CCCC1 ZINC000824319379 607802768 /nfs/dbraw/zinc/80/27/68/607802768.db2.gz OBDQPZHMUYZDSF-UHFFFAOYSA-N -1 3 356.430 3.276 20 0 FGADHM O=C1OC(c2ccc(-c3nnn[n-]3)cc2)=NC1=Cc1cc(Cl)ccc1F ZINC000826483425 607807552 /nfs/dbraw/zinc/80/75/52/607807552.db2.gz NCTGPYRYEGLPOO-ZSOIEALJSA-N -1 3 369.743 3.004 20 0 FGADHM O=C1OC(c2ccc(-c3nn[n-]n3)cc2)=NC1=Cc1cc(Cl)ccc1F ZINC000826483425 607807553 /nfs/dbraw/zinc/80/75/53/607807553.db2.gz NCTGPYRYEGLPOO-ZSOIEALJSA-N -1 3 369.743 3.004 20 0 FGADHM C[C@H](Cc1ccccc1Cl)C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000824457375 607816009 /nfs/dbraw/zinc/81/60/09/607816009.db2.gz KOQSRAKAZXFEJA-GFCCVEGCSA-N -1 3 355.829 3.015 20 0 FGADHM C[C@H](Cc1ccccc1Cl)C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000824457375 607816010 /nfs/dbraw/zinc/81/60/10/607816010.db2.gz KOQSRAKAZXFEJA-GFCCVEGCSA-N -1 3 355.829 3.015 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H](C)Cc1ccccc1Cl ZINC000826185404 607817991 /nfs/dbraw/zinc/81/79/91/607817991.db2.gz JGVSVSCHUYBULI-LLVKDONJSA-N -1 3 371.828 3.346 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H](C)Cc1ccccc1Cl ZINC000826185404 607817992 /nfs/dbraw/zinc/81/79/92/607817992.db2.gz JGVSVSCHUYBULI-LLVKDONJSA-N -1 3 371.828 3.346 20 0 FGADHM FC(F)(F)c1cc(N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)ccc1-c1nnn[n-]1 ZINC000826368625 607822077 /nfs/dbraw/zinc/82/20/77/607822077.db2.gz WZLYRDXYLZFRFV-IACUBPJLSA-N -1 3 365.359 3.255 20 0 FGADHM FC(F)(F)c1cc(N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)ccc1-c1nn[n-]n1 ZINC000826368625 607822078 /nfs/dbraw/zinc/82/20/78/607822078.db2.gz WZLYRDXYLZFRFV-IACUBPJLSA-N -1 3 365.359 3.255 20 0 FGADHM C[C@@H]1CCC[C@@H](NC(=O)c2c(Cl)cc(-c3nnn[n-]3)cc2Cl)C1 ZINC000824927103 607833038 /nfs/dbraw/zinc/83/30/38/607833038.db2.gz MPASKHPUSZCDQX-PSASIEDQSA-N -1 3 354.241 3.482 20 0 FGADHM C[C@@H]1CCC[C@@H](NC(=O)c2c(Cl)cc(-c3nn[n-]n3)cc2Cl)C1 ZINC000824927103 607833039 /nfs/dbraw/zinc/83/30/39/607833039.db2.gz MPASKHPUSZCDQX-PSASIEDQSA-N -1 3 354.241 3.482 20 0 FGADHM CCN(C(=O)[C@H](OC)c1ccccc1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367928 607834057 /nfs/dbraw/zinc/83/40/57/607834057.db2.gz XRJSAFBCAOIZHM-RDTXWAMCSA-N -1 3 365.437 3.164 20 0 FGADHM CCN(C(=O)[C@H](OC)c1ccccc1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367928 607834058 /nfs/dbraw/zinc/83/40/58/607834058.db2.gz XRJSAFBCAOIZHM-RDTXWAMCSA-N -1 3 365.437 3.164 20 0 FGADHM c1ccc(N2CC[C@@H](CNc3ccc4cc(-c5nnn[n-]5)ccc4n3)C2)cc1 ZINC000826522286 607840814 /nfs/dbraw/zinc/84/08/14/607840814.db2.gz UQFAQKYAGGNFRR-HNNXBMFYSA-N -1 3 371.448 3.353 20 0 FGADHM c1ccc(N2CC[C@@H](CNc3ccc4cc(-c5nn[n-]n5)ccc4n3)C2)cc1 ZINC000826522286 607840815 /nfs/dbraw/zinc/84/08/15/607840815.db2.gz UQFAQKYAGGNFRR-HNNXBMFYSA-N -1 3 371.448 3.353 20 0 FGADHM CCCCCCNC(=O)CSc1ccc(-c2nnn[n-]2)cc1Cl ZINC000825271902 607844357 /nfs/dbraw/zinc/84/43/57/607844357.db2.gz QAHNFEYFQPJMRJ-UHFFFAOYSA-N -1 3 353.879 3.309 20 0 FGADHM CCCCCCNC(=O)CSc1ccc(-c2nn[n-]n2)cc1Cl ZINC000825271902 607844358 /nfs/dbraw/zinc/84/43/58/607844358.db2.gz QAHNFEYFQPJMRJ-UHFFFAOYSA-N -1 3 353.879 3.309 20 0 FGADHM Cc1cccc(CNC(=O)CSc2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000826298203 607845669 /nfs/dbraw/zinc/84/56/69/607845669.db2.gz IKNHEFGQKLCJAS-UHFFFAOYSA-N -1 3 373.869 3.237 20 0 FGADHM Cc1cccc(CNC(=O)CSc2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000826298203 607845670 /nfs/dbraw/zinc/84/56/70/607845670.db2.gz IKNHEFGQKLCJAS-UHFFFAOYSA-N -1 3 373.869 3.237 20 0 FGADHM CN(Cn1ccc(-c2ccc(-c3nnn[n-]3)cc2)n1)c1ccc(F)c(F)c1 ZINC000825999310 607846182 /nfs/dbraw/zinc/84/61/82/607846182.db2.gz WDEJOZRRPMKTRP-UHFFFAOYSA-N -1 3 367.363 3.102 20 0 FGADHM CN(Cn1ccc(-c2ccc(-c3nn[n-]n3)cc2)n1)c1ccc(F)c(F)c1 ZINC000825999310 607846183 /nfs/dbraw/zinc/84/61/83/607846183.db2.gz WDEJOZRRPMKTRP-UHFFFAOYSA-N -1 3 367.363 3.102 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1OC[C@H](O)COc1ccccc1C(C)C ZINC000826278886 607877425 /nfs/dbraw/zinc/87/74/25/607877425.db2.gz XENURJSJLYQPKE-MRXNPFEDSA-N -1 3 368.437 3.117 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1OC[C@H](O)COc1ccccc1C(C)C ZINC000826278886 607877426 /nfs/dbraw/zinc/87/74/26/607877426.db2.gz XENURJSJLYQPKE-MRXNPFEDSA-N -1 3 368.437 3.117 20 0 FGADHM CCN(C(=O)Cc1ccc(C)cc1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825376884 607877976 /nfs/dbraw/zinc/87/79/76/607877976.db2.gz PBEOLRGYRXJFBM-UHFFFAOYSA-N -1 3 355.829 3.424 20 0 FGADHM CCN(C(=O)Cc1ccc(C)cc1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825376884 607877977 /nfs/dbraw/zinc/87/79/77/607877977.db2.gz PBEOLRGYRXJFBM-UHFFFAOYSA-N -1 3 355.829 3.424 20 0 FGADHM Cc1ccnc(CNc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)n1 ZINC000826308649 607879934 /nfs/dbraw/zinc/87/99/34/607879934.db2.gz JMIFNCRHBKAESS-UHFFFAOYSA-N -1 3 373.420 3.156 20 0 FGADHM Cc1ccnc(CNc2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)n1 ZINC000826308649 607879935 /nfs/dbraw/zinc/87/99/35/607879935.db2.gz JMIFNCRHBKAESS-UHFFFAOYSA-N -1 3 373.420 3.156 20 0 FGADHM CC(=Cc1ccccc1Cl)C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000755881884 607880933 /nfs/dbraw/zinc/88/09/33/607880933.db2.gz IBKQSWYJBNGETP-ZRDIBKRKSA-N -1 3 353.813 3.240 20 0 FGADHM CC(=Cc1ccccc1Cl)C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000755881884 607880934 /nfs/dbraw/zinc/88/09/34/607880934.db2.gz IBKQSWYJBNGETP-ZRDIBKRKSA-N -1 3 353.813 3.240 20 0 FGADHM CC(=Cc1ccccc1Cl)C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000823943184 607881075 /nfs/dbraw/zinc/88/10/75/607881075.db2.gz OUYJAIRPDJGEQK-FMIVXFBMSA-N -1 3 353.813 3.240 20 0 FGADHM CC(=Cc1ccccc1Cl)C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000823943184 607881076 /nfs/dbraw/zinc/88/10/76/607881076.db2.gz OUYJAIRPDJGEQK-FMIVXFBMSA-N -1 3 353.813 3.240 20 0 FGADHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H]1CCCC(C)(C)C1 ZINC000826158639 607882015 /nfs/dbraw/zinc/88/20/15/607882015.db2.gz WZKXFMLLTKFDHV-KRWDZBQOSA-N -1 3 371.485 3.058 20 0 FGADHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H]1CCCC(C)(C)C1 ZINC000826158639 607882016 /nfs/dbraw/zinc/88/20/16/607882016.db2.gz WZKXFMLLTKFDHV-KRWDZBQOSA-N -1 3 371.485 3.058 20 0 FGADHM C[C@H](Nc1cc(Cl)ccc1-c1nnn[n-]1)c1ccc([S@@](C)=O)cc1 ZINC000824649096 607902571 /nfs/dbraw/zinc/90/25/71/607902571.db2.gz LGUODSCJZDTRAO-CCGUKBGLSA-N -1 3 361.858 3.431 20 0 FGADHM C[C@H](Nc1cc(Cl)ccc1-c1nn[n-]n1)c1ccc([S@@](C)=O)cc1 ZINC000824649096 607902572 /nfs/dbraw/zinc/90/25/72/607902572.db2.gz LGUODSCJZDTRAO-CCGUKBGLSA-N -1 3 361.858 3.431 20 0 FGADHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C(C)(C)C1CCCC1 ZINC000826158544 607931870 /nfs/dbraw/zinc/93/18/70/607931870.db2.gz TYONBIBJWWCKBZ-UHFFFAOYSA-N -1 3 371.485 3.058 20 0 FGADHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C(C)(C)C1CCCC1 ZINC000826158544 607931871 /nfs/dbraw/zinc/93/18/71/607931871.db2.gz TYONBIBJWWCKBZ-UHFFFAOYSA-N -1 3 371.485 3.058 20 0 FGADHM O=C(Cc1ccc(C(F)(F)F)cc1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826422831 607945802 /nfs/dbraw/zinc/94/58/02/607945802.db2.gz NUDNCZZAMLHXCX-UHFFFAOYSA-N -1 3 373.338 3.017 20 0 FGADHM O=C(Cc1ccc(C(F)(F)F)cc1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826422831 607945803 /nfs/dbraw/zinc/94/58/03/607945803.db2.gz NUDNCZZAMLHXCX-UHFFFAOYSA-N -1 3 373.338 3.017 20 0 FGADHM CCc1ccc(C(C)(C)C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)cc1 ZINC000825704083 607946394 /nfs/dbraw/zinc/94/63/94/607946394.db2.gz CNYXMUUWDUMMHA-UHFFFAOYSA-N -1 3 361.449 3.296 20 0 FGADHM CCc1ccc(C(C)(C)C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)cc1 ZINC000825704083 607946395 /nfs/dbraw/zinc/94/63/95/607946395.db2.gz CNYXMUUWDUMMHA-UHFFFAOYSA-N -1 3 361.449 3.296 20 0 FGADHM Cc1oc(-c2ccccc2)nc1C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826340316 607947247 /nfs/dbraw/zinc/94/72/47/607947247.db2.gz RZRRTZGVGUIGOU-UHFFFAOYSA-N -1 3 372.388 3.033 20 0 FGADHM Cc1oc(-c2ccccc2)nc1C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826340316 607947248 /nfs/dbraw/zinc/94/72/48/607947248.db2.gz RZRRTZGVGUIGOU-UHFFFAOYSA-N -1 3 372.388 3.033 20 0 FGADHM Cc1ccc(-c2cc(C(=O)N3CCc4ccc(-c5nnn[n-]5)cc43)on2)cc1 ZINC000826273196 607949400 /nfs/dbraw/zinc/94/94/00/607949400.db2.gz TXBUHVQFDYSUER-UHFFFAOYSA-N -1 3 372.388 3.033 20 0 FGADHM Cc1ccc(-c2cc(C(=O)N3CCc4ccc(-c5nn[n-]n5)cc43)on2)cc1 ZINC000826273196 607949401 /nfs/dbraw/zinc/94/94/01/607949401.db2.gz TXBUHVQFDYSUER-UHFFFAOYSA-N -1 3 372.388 3.033 20 0 FGADHM O=C(C=Cc1ccc(Cl)s1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826401220 607949471 /nfs/dbraw/zinc/94/94/71/607949471.db2.gz SRFNGBYUURNUTN-GQCTYLIASA-N -1 3 357.826 3.184 20 0 FGADHM O=C(C=Cc1ccc(Cl)s1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826401220 607949472 /nfs/dbraw/zinc/94/94/72/607949472.db2.gz SRFNGBYUURNUTN-GQCTYLIASA-N -1 3 357.826 3.184 20 0 FGADHM O=C(c1cc(F)c(F)cc1Cl)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826470342 607951942 /nfs/dbraw/zinc/95/19/42/607951942.db2.gz MPBXUUMRGSQITD-UHFFFAOYSA-N -1 3 361.739 3.001 20 0 FGADHM O=C(c1cc(F)c(F)cc1Cl)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826470342 607951943 /nfs/dbraw/zinc/95/19/43/607951943.db2.gz MPBXUUMRGSQITD-UHFFFAOYSA-N -1 3 361.739 3.001 20 0 FGADHM CCSc1ccccc1C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000825673773 607953015 /nfs/dbraw/zinc/95/30/15/607953015.db2.gz BNVJVPCXOBZLEA-UHFFFAOYSA-N -1 3 351.435 3.182 20 0 FGADHM CCSc1ccccc1C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000825673773 607953016 /nfs/dbraw/zinc/95/30/16/607953016.db2.gz BNVJVPCXOBZLEA-UHFFFAOYSA-N -1 3 351.435 3.182 20 0 FGADHM CC[C@@H](C)Oc1ccc(C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)cc1 ZINC000825076544 607954190 /nfs/dbraw/zinc/95/41/90/607954190.db2.gz WLTSBHMOBNHVQR-CYBMUJFWSA-N -1 3 363.421 3.247 20 0 FGADHM CC[C@@H](C)Oc1ccc(C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)cc1 ZINC000825076544 607954191 /nfs/dbraw/zinc/95/41/91/607954191.db2.gz WLTSBHMOBNHVQR-CYBMUJFWSA-N -1 3 363.421 3.247 20 0 FGADHM COc1cc(C(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)ccc1Cl ZINC000826176869 607969769 /nfs/dbraw/zinc/96/97/69/607969769.db2.gz HYFQTGSWUAOUIH-JTQLQIEISA-N -1 3 357.801 3.020 20 0 FGADHM COc1cc(C(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)ccc1Cl ZINC000826176869 607969770 /nfs/dbraw/zinc/96/97/70/607969770.db2.gz HYFQTGSWUAOUIH-JTQLQIEISA-N -1 3 357.801 3.020 20 0 FGADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1F)c1cnc2ccc(F)cc2c1 ZINC000826464538 607978193 /nfs/dbraw/zinc/97/81/93/607978193.db2.gz AVZGQFALAVJLFO-UHFFFAOYSA-N -1 3 367.315 3.050 20 0 FGADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1F)c1cnc2ccc(F)cc2c1 ZINC000826464538 607978194 /nfs/dbraw/zinc/97/81/94/607978194.db2.gz AVZGQFALAVJLFO-UHFFFAOYSA-N -1 3 367.315 3.050 20 0 FGADHM c1sc(C2CC2)nc1CN(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000826513156 607984031 /nfs/dbraw/zinc/98/40/31/607984031.db2.gz BMFSCYMIKFUVSY-UHFFFAOYSA-N -1 3 352.467 3.365 20 0 FGADHM c1sc(C2CC2)nc1CN(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000826513156 607984032 /nfs/dbraw/zinc/98/40/32/607984032.db2.gz BMFSCYMIKFUVSY-UHFFFAOYSA-N -1 3 352.467 3.365 20 0 FGADHM CC(=O)c1ccc(NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1C ZINC000824024569 608009547 /nfs/dbraw/zinc/00/95/47/608009547.db2.gz KCQPPOSRGTZNDQ-LBPRGKRZSA-N -1 3 364.409 3.260 20 0 FGADHM CC(=O)c1ccc(NC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1C ZINC000824024569 608009548 /nfs/dbraw/zinc/00/95/48/608009548.db2.gz KCQPPOSRGTZNDQ-LBPRGKRZSA-N -1 3 364.409 3.260 20 0 FGADHM CC(C)[C@H]1CCc2ccccc2N1C(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000824225641 608029421 /nfs/dbraw/zinc/02/94/21/608029421.db2.gz VDGYEBJIQNSWTB-GOSISDBHSA-N -1 3 361.449 3.413 20 0 FGADHM CC(C)[C@H]1CCc2ccccc2N1C(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000824225641 608029422 /nfs/dbraw/zinc/02/94/22/608029422.db2.gz VDGYEBJIQNSWTB-GOSISDBHSA-N -1 3 361.449 3.413 20 0 FGADHM CC[C@@H](C)n1ncc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2)c1C1CC1 ZINC000825083287 608029855 /nfs/dbraw/zinc/02/98/55/608029855.db2.gz ZILPRZVNIGBPBB-GFCCVEGCSA-N -1 3 366.425 3.269 20 0 FGADHM CC[C@@H](C)n1ncc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2)c1C1CC1 ZINC000825083287 608029856 /nfs/dbraw/zinc/02/98/56/608029856.db2.gz ZILPRZVNIGBPBB-GFCCVEGCSA-N -1 3 366.425 3.269 20 0 FGADHM CS[C@H]1CC[C@@H](Nc2ccc(-c3nn[n-]n3)cc2Br)C1 ZINC000826227533 608050839 /nfs/dbraw/zinc/05/08/39/608050839.db2.gz SPLUIDGIGUSWBU-ZJUUUORDSA-N -1 3 354.277 3.325 20 0 FGADHM O=C(CCCc1cc(F)ccc1F)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000826406913 608071822 /nfs/dbraw/zinc/07/18/22/608071822.db2.gz SHPJRRXVNMHYEP-UHFFFAOYSA-N -1 3 362.311 3.212 20 0 FGADHM O=C(CCCc1cc(F)ccc1F)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000826406913 608071823 /nfs/dbraw/zinc/07/18/23/608071823.db2.gz SHPJRRXVNMHYEP-UHFFFAOYSA-N -1 3 362.311 3.212 20 0 FGADHM Cc1ccc(Br)c(NC(=O)c2cc(-c3nnn[n-]3)cs2)c1 ZINC000826281483 608072893 /nfs/dbraw/zinc/07/28/93/608072893.db2.gz URCJZENBKNXHFT-UHFFFAOYSA-N -1 3 364.228 3.251 20 0 FGADHM Cc1ccc(Br)c(NC(=O)c2cc(-c3nn[n-]n3)cs2)c1 ZINC000826281483 608072894 /nfs/dbraw/zinc/07/28/94/608072894.db2.gz URCJZENBKNXHFT-UHFFFAOYSA-N -1 3 364.228 3.251 20 0 FGADHM C[C@@H]1CC[C@H](COC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)O1 ZINC000824907285 608076320 /nfs/dbraw/zinc/07/63/20/608076320.db2.gz HUOAPBKHEBDVSK-ZIAGYGMSSA-N -1 3 364.405 3.258 20 0 FGADHM C[C@@H]1CC[C@H](COC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)O1 ZINC000824907285 608076321 /nfs/dbraw/zinc/07/63/21/608076321.db2.gz HUOAPBKHEBDVSK-ZIAGYGMSSA-N -1 3 364.405 3.258 20 0 FGADHM CCCC[C@H](CC)CC(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000825259271 608081605 /nfs/dbraw/zinc/08/16/05/608081605.db2.gz HYUHFENQDLNAOI-YJBOKZPZSA-N -1 3 371.485 3.373 20 0 FGADHM CCCC[C@H](CC)CC(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000825259271 608081606 /nfs/dbraw/zinc/08/16/06/608081606.db2.gz HYUHFENQDLNAOI-YJBOKZPZSA-N -1 3 371.485 3.373 20 0 FGADHM CCN(C)[C@H](C(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000825391158 608091054 /nfs/dbraw/zinc/09/10/54/608091054.db2.gz VWJUCFLPSDWYAC-KDOFPFPSSA-N -1 3 365.437 3.164 20 0 FGADHM CCN(C)[C@H](C(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000825391158 608091055 /nfs/dbraw/zinc/09/10/55/608091055.db2.gz VWJUCFLPSDWYAC-KDOFPFPSSA-N -1 3 365.437 3.164 20 0 FGADHM CN(Cc1ccc(Cl)c(F)c1)C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000825966073 608098039 /nfs/dbraw/zinc/09/80/39/608098039.db2.gz MUKFETNUOHPWDK-UHFFFAOYSA-N -1 3 374.807 3.001 20 0 FGADHM CN(Cc1ccc(Cl)c(F)c1)C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000825966073 608098040 /nfs/dbraw/zinc/09/80/40/608098040.db2.gz MUKFETNUOHPWDK-UHFFFAOYSA-N -1 3 374.807 3.001 20 0 FGADHM COc1cc(NCc2ccc(-c3nnn[n-]3)s2)c(OC)cc1Cl ZINC000826181263 608101155 /nfs/dbraw/zinc/10/11/55/608101155.db2.gz RSMDSHNERPVIDI-UHFFFAOYSA-N -1 3 351.819 3.211 20 0 FGADHM O=C1[C@H](Sc2ccc(-c3nnn[n-]3)cc2)CCCN1c1ccccc1F ZINC000826477329 608111354 /nfs/dbraw/zinc/11/13/54/608111354.db2.gz ADDRQKJAJCUQEA-MRXNPFEDSA-N -1 3 369.425 3.294 20 0 FGADHM O=C1[C@H](Sc2ccc(-c3nn[n-]n3)cc2)CCCN1c1ccccc1F ZINC000826477329 608111355 /nfs/dbraw/zinc/11/13/55/608111355.db2.gz ADDRQKJAJCUQEA-MRXNPFEDSA-N -1 3 369.425 3.294 20 0 FGADHM C[C@H](NC(=O)[C@@H](C)c1c(F)cccc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000824471203 608114374 /nfs/dbraw/zinc/11/43/74/608114374.db2.gz PIFDOQVGWAKFIZ-QWRGUYRKSA-N -1 3 357.364 3.126 20 0 FGADHM C[C@H](NC(=O)[C@@H](C)c1c(F)cccc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000824471203 608114375 /nfs/dbraw/zinc/11/43/75/608114375.db2.gz PIFDOQVGWAKFIZ-QWRGUYRKSA-N -1 3 357.364 3.126 20 0 FGADHM Cc1ccc([C@@H]2CCN(C(=O)CCc3ccc(-c4nnn[n-]4)cc3)C2)cc1 ZINC000826285690 608129583 /nfs/dbraw/zinc/12/95/83/608129583.db2.gz HKTBKHLRTZEULO-LJQANCHMSA-N -1 3 361.449 3.124 20 0 FGADHM Cc1ccc([C@@H]2CCN(C(=O)CCc3ccc(-c4nn[n-]n4)cc3)C2)cc1 ZINC000826285690 608129584 /nfs/dbraw/zinc/12/95/84/608129584.db2.gz HKTBKHLRTZEULO-LJQANCHMSA-N -1 3 361.449 3.124 20 0 FGADHM Cc1cccc([C@H]2CCN(C(=O)C=Cc3ccccc3-c3nnn[n-]3)C2)c1 ZINC000826297603 608129899 /nfs/dbraw/zinc/12/98/99/608129899.db2.gz MPZZQZSJGDHFHH-LPADLIQXSA-N -1 3 359.433 3.204 20 0 FGADHM Cc1cccc([C@H]2CCN(C(=O)C=Cc3ccccc3-c3nn[n-]n3)C2)c1 ZINC000826297603 608129900 /nfs/dbraw/zinc/12/99/00/608129900.db2.gz MPZZQZSJGDHFHH-LPADLIQXSA-N -1 3 359.433 3.204 20 0 FGADHM Cc1ccnn1-c1ccccc1NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000826315773 608136836 /nfs/dbraw/zinc/13/68/36/608136836.db2.gz SVEDXEVOBUUGNF-ZHACJKMWSA-N -1 3 371.404 3.013 20 0 FGADHM Cc1ccnn1-c1ccccc1NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000826315773 608136837 /nfs/dbraw/zinc/13/68/37/608136837.db2.gz SVEDXEVOBUUGNF-ZHACJKMWSA-N -1 3 371.404 3.013 20 0 FGADHM O=C(OCC[C@H]1CCCCO1)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000826462514 608143624 /nfs/dbraw/zinc/14/36/24/608143624.db2.gz AAPOOPKPRKFRNO-LLVKDONJSA-N -1 3 370.331 3.002 20 0 FGADHM O=C(OCC[C@H]1CCCCO1)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826462514 608143625 /nfs/dbraw/zinc/14/36/25/608143625.db2.gz AAPOOPKPRKFRNO-LLVKDONJSA-N -1 3 370.331 3.002 20 0 FGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N[C@H]1CC12CCCCC2 ZINC000824148475 608156760 /nfs/dbraw/zinc/15/67/60/608156760.db2.gz WLFHUFBGGOIBJR-ZDUSSCGKSA-N -1 3 357.462 3.268 20 0 FGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N[C@H]1CC12CCCCC2 ZINC000824148475 608156761 /nfs/dbraw/zinc/15/67/61/608156761.db2.gz WLFHUFBGGOIBJR-ZDUSSCGKSA-N -1 3 357.462 3.268 20 0 FGADHM CCN(C(=O)CSc1ccccc1OC)c1ccc(-c2nnn[n-]2)cc1 ZINC000825376482 608157913 /nfs/dbraw/zinc/15/79/13/608157913.db2.gz HSUOVCHSHIIWQV-UHFFFAOYSA-N -1 3 369.450 3.021 20 0 FGADHM CCN(C(=O)CSc1ccccc1OC)c1ccc(-c2nn[n-]n2)cc1 ZINC000825376482 608157915 /nfs/dbraw/zinc/15/79/15/608157915.db2.gz HSUOVCHSHIIWQV-UHFFFAOYSA-N -1 3 369.450 3.021 20 0 FGADHM C[C@H]1OCC[C@H]1C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000825019317 608158047 /nfs/dbraw/zinc/15/80/47/608158047.db2.gz DCBNEKXVOVTGLF-SJKOYZFVSA-N -1 3 365.393 3.023 20 0 FGADHM C[C@H]1OCC[C@H]1C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000825019317 608158048 /nfs/dbraw/zinc/15/80/48/608158048.db2.gz DCBNEKXVOVTGLF-SJKOYZFVSA-N -1 3 365.393 3.023 20 0 FGADHM C[C@H](NC(=O)N1CC[C@@H](C)C2(CCC2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824487931 608161381 /nfs/dbraw/zinc/16/13/81/608161381.db2.gz CZZRRCOEUMTKSN-KGLIPLIRSA-N -1 3 354.458 3.149 20 0 FGADHM C[C@H](NC(=O)N1CC[C@@H](C)C2(CCC2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824487931 608161383 /nfs/dbraw/zinc/16/13/83/608161383.db2.gz CZZRRCOEUMTKSN-KGLIPLIRSA-N -1 3 354.458 3.149 20 0 FGADHM COc1ccccc1SCC(=O)OCc1ccc(-c2nnn[n-]2)cc1C ZINC000826220820 608164625 /nfs/dbraw/zinc/16/46/25/608164625.db2.gz BHIXEQCXWPPMFQ-UHFFFAOYSA-N -1 3 370.434 3.019 20 0 FGADHM COc1ccccc1SCC(=O)OCc1ccc(-c2nn[n-]n2)cc1C ZINC000826220820 608164627 /nfs/dbraw/zinc/16/46/27/608164627.db2.gz BHIXEQCXWPPMFQ-UHFFFAOYSA-N -1 3 370.434 3.019 20 0 FGADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)c1cc(C)ccc1C ZINC000825793353 608176278 /nfs/dbraw/zinc/17/62/78/608176278.db2.gz RIBBFFBGDIRTNL-UHFFFAOYSA-N -1 3 361.409 3.105 20 0 FGADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)c1cc(C)ccc1C ZINC000825793353 608176279 /nfs/dbraw/zinc/17/62/79/608176279.db2.gz RIBBFFBGDIRTNL-UHFFFAOYSA-N -1 3 361.409 3.105 20 0 FGADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)C[C@H]1CC[C@@H](C)C1 ZINC000825787456 608178317 /nfs/dbraw/zinc/17/83/17/608178317.db2.gz GLUGIDGDOWSLDR-NEPJUHHUSA-N -1 3 353.430 3.001 20 0 FGADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)C[C@H]1CC[C@@H](C)C1 ZINC000825787456 608178318 /nfs/dbraw/zinc/17/83/18/608178318.db2.gz GLUGIDGDOWSLDR-NEPJUHHUSA-N -1 3 353.430 3.001 20 0 FGADHM C[C@H](OC(=O)c1c(F)c(F)cc(F)c1F)c1cccc(-c2nnn[n-]2)c1 ZINC000824714939 608183416 /nfs/dbraw/zinc/18/34/16/608183416.db2.gz PIZIYDCPPWUAMG-ZETCQYMHSA-N -1 3 366.274 3.341 20 0 FGADHM C[C@H](OC(=O)c1c(F)c(F)cc(F)c1F)c1cccc(-c2nn[n-]n2)c1 ZINC000824714939 608183417 /nfs/dbraw/zinc/18/34/17/608183417.db2.gz PIZIYDCPPWUAMG-ZETCQYMHSA-N -1 3 366.274 3.341 20 0 FGADHM C[C@@H]1CCN(C(=O)CSCc2ccc(-c3nnn[n-]3)cc2)CC12CCC2 ZINC000824946714 608200236 /nfs/dbraw/zinc/20/02/36/608200236.db2.gz JYDSDHSJWUGTJT-CQSZACIVSA-N -1 3 371.510 3.139 20 0 FGADHM C[C@@H]1CCN(C(=O)CSCc2ccc(-c3nn[n-]n3)cc2)CC12CCC2 ZINC000824946714 608200237 /nfs/dbraw/zinc/20/02/37/608200237.db2.gz JYDSDHSJWUGTJT-CQSZACIVSA-N -1 3 371.510 3.139 20 0 FGADHM c1cnn(-c2ccc(CNc3ccc4cc(-c5nnn[n-]5)ccc4n3)cc2)c1 ZINC000826526028 608224466 /nfs/dbraw/zinc/22/44/66/608224466.db2.gz IKUQGXQBNRINQL-UHFFFAOYSA-N -1 3 368.404 3.213 20 0 FGADHM c1cnn(-c2ccc(CNc3ccc4cc(-c5nn[n-]n5)ccc4n3)cc2)c1 ZINC000826526028 608224467 /nfs/dbraw/zinc/22/44/67/608224467.db2.gz IKUQGXQBNRINQL-UHFFFAOYSA-N -1 3 368.404 3.213 20 0 FGADHM OCCC1(CNc2ccc3cc(-c4nnn[n-]4)ccc3n2)CCCCC1 ZINC000826509457 608232672 /nfs/dbraw/zinc/23/26/72/608232672.db2.gz WDXZVHSIXHUWHE-UHFFFAOYSA-N -1 3 352.442 3.160 20 0 FGADHM OCCC1(CNc2ccc3cc(-c4nn[n-]n4)ccc3n2)CCCCC1 ZINC000826509457 608232674 /nfs/dbraw/zinc/23/26/74/608232674.db2.gz WDXZVHSIXHUWHE-UHFFFAOYSA-N -1 3 352.442 3.160 20 0 FGADHM Cc1nnc(NCC2(c3ccc(F)cc3Cl)CC2)c(-c2nnn[n-]2)c1C ZINC000826336011 608234800 /nfs/dbraw/zinc/23/48/00/608234800.db2.gz KAIYZDOXBNYWQI-UHFFFAOYSA-N -1 3 373.823 3.210 20 0 FGADHM Cc1nnc(NCC2(c3ccc(F)cc3Cl)CC2)c(-c2nn[n-]n2)c1C ZINC000826336011 608234802 /nfs/dbraw/zinc/23/48/02/608234802.db2.gz KAIYZDOXBNYWQI-UHFFFAOYSA-N -1 3 373.823 3.210 20 0 FGADHM CC(C)C[C@@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)C(=O)OC(C)(C)C ZINC000824237721 608235777 /nfs/dbraw/zinc/23/57/77/608235777.db2.gz UWXYMELORYGBOA-GFCCVEGCSA-N -1 3 366.853 3.083 20 0 FGADHM CC(C)C[C@@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)C(=O)OC(C)(C)C ZINC000824237721 608235779 /nfs/dbraw/zinc/23/57/79/608235779.db2.gz UWXYMELORYGBOA-GFCCVEGCSA-N -1 3 366.853 3.083 20 0 FGADHM COc1ccc([C@@H](OC)[C@@H](C)Nc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000826190316 608239983 /nfs/dbraw/zinc/23/99/83/608239983.db2.gz XIHXEKOGNQJZOO-DIFFPNOSSA-N -1 3 357.389 3.203 20 0 FGADHM COc1ccc([C@@H](OC)[C@@H](C)Nc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000826190316 608239985 /nfs/dbraw/zinc/23/99/85/608239985.db2.gz XIHXEKOGNQJZOO-DIFFPNOSSA-N -1 3 357.389 3.203 20 0 FGADHM O=C(C=Cc1ccc2[nH]ccc2c1)OCc1cc(-c2nnn[n-]2)ccc1F ZINC000826401161 608249352 /nfs/dbraw/zinc/24/93/52/608249352.db2.gz RCDRRUMIYLWUKS-QHHAFSJGSA-N -1 3 363.352 3.244 20 0 FGADHM O=C(C=Cc1ccc2[nH]ccc2c1)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000826401161 608249354 /nfs/dbraw/zinc/24/93/54/608249354.db2.gz RCDRRUMIYLWUKS-QHHAFSJGSA-N -1 3 363.352 3.244 20 0 FGADHM O=C(Nc1sccc1-c1nnn[n-]1)c1cccc([C@H]2CCCOC2)c1 ZINC000826461423 608266371 /nfs/dbraw/zinc/26/63/71/608266371.db2.gz UKQFMGSGTLQTKE-ZDUSSCGKSA-N -1 3 355.423 3.075 20 0 FGADHM O=C(Nc1sccc1-c1nn[n-]n1)c1cccc([C@H]2CCCOC2)c1 ZINC000826461423 608266373 /nfs/dbraw/zinc/26/63/73/608266373.db2.gz UKQFMGSGTLQTKE-ZDUSSCGKSA-N -1 3 355.423 3.075 20 0 FGADHM CCc1ccc(C2=CCN(C(=O)c3sccc3-c3nnn[n-]3)CC2)cc1 ZINC000825704917 608271380 /nfs/dbraw/zinc/27/13/80/608271380.db2.gz QCHVMTPZWMVIMD-UHFFFAOYSA-N -1 3 365.462 3.420 20 0 FGADHM CCc1ccc(C2=CCN(C(=O)c3sccc3-c3nn[n-]n3)CC2)cc1 ZINC000825704917 608271382 /nfs/dbraw/zinc/27/13/82/608271382.db2.gz QCHVMTPZWMVIMD-UHFFFAOYSA-N -1 3 365.462 3.420 20 0 FGADHM COc1cc(CNc2nc3c(cc2-c2nnn[n-]2)CCCC3)ccc1C ZINC000826179536 608276350 /nfs/dbraw/zinc/27/63/50/608276350.db2.gz SDJZAJODYCGWSE-UHFFFAOYSA-N -1 3 350.426 3.070 20 0 FGADHM COc1cc(CNc2nc3c(cc2-c2nn[n-]n2)CCCC3)ccc1C ZINC000826179536 608276352 /nfs/dbraw/zinc/27/63/52/608276352.db2.gz SDJZAJODYCGWSE-UHFFFAOYSA-N -1 3 350.426 3.070 20 0 FGADHM Fc1cccc2c1CC[C@H]2Nc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC000826377801 608277562 /nfs/dbraw/zinc/27/75/62/608277562.db2.gz GOVJIJZPLSXCJP-QGZVFWFLSA-N -1 3 350.401 3.379 20 0 FGADHM Fc1cccc2c1CC[C@H]2Nc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC000826377801 608277564 /nfs/dbraw/zinc/27/75/64/608277564.db2.gz GOVJIJZPLSXCJP-QGZVFWFLSA-N -1 3 350.401 3.379 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)c(NCCc2c[nH]c3cc(Cl)ccc23)n1 ZINC000826276321 608279116 /nfs/dbraw/zinc/27/91/16/608279116.db2.gz AILSCSWGMXGQGM-UHFFFAOYSA-N -1 3 353.817 3.359 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)c(NCCc2c[nH]c3cc(Cl)ccc23)n1 ZINC000826276321 608279118 /nfs/dbraw/zinc/27/91/18/608279118.db2.gz AILSCSWGMXGQGM-UHFFFAOYSA-N -1 3 353.817 3.359 20 0 FGADHM COc1ccc(CC2CCN(c3nc(C)ccc3-c3nnn[n-]3)CC2)cc1 ZINC000826191268 608280101 /nfs/dbraw/zinc/28/01/01/608280101.db2.gz BEWBCOGOMPXUNY-UHFFFAOYSA-N -1 3 364.453 3.038 20 0 FGADHM COc1ccc(CC2CCN(c3nc(C)ccc3-c3nn[n-]n3)CC2)cc1 ZINC000826191268 608280103 /nfs/dbraw/zinc/28/01/03/608280103.db2.gz BEWBCOGOMPXUNY-UHFFFAOYSA-N -1 3 364.453 3.038 20 0 FGADHM C[C@H](NCc1cc(-c2nn[n-]n2)ccc1F)c1nc2c(s1)CCCC2 ZINC000824611756 608282587 /nfs/dbraw/zinc/28/25/87/608282587.db2.gz DMHVUAABLVVWPG-JTQLQIEISA-N -1 3 358.446 3.192 20 0 FGADHM c1ccc2nc(N3CCC[C@H](C[C@@H]4CCOC4)C3)c(-c3nnn[n-]3)cc2c1 ZINC000826523867 608296748 /nfs/dbraw/zinc/29/67/48/608296748.db2.gz AMDKVXJCGDMAAR-CABCVRRESA-N -1 3 364.453 3.058 20 0 FGADHM c1ccc2nc(N3CCC[C@H](C[C@@H]4CCOC4)C3)c(-c3nn[n-]n3)cc2c1 ZINC000826523867 608296749 /nfs/dbraw/zinc/29/67/49/608296749.db2.gz AMDKVXJCGDMAAR-CABCVRRESA-N -1 3 364.453 3.058 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)c(N[C@@H](c2cccc(F)c2)c2ccccn2)n1 ZINC000826275041 608302167 /nfs/dbraw/zinc/30/21/67/608302167.db2.gz MFAIXXWIGYZHFD-KRWDZBQOSA-N -1 3 361.384 3.306 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)c(N[C@@H](c2cccc(F)c2)c2ccccn2)n1 ZINC000826275041 608302170 /nfs/dbraw/zinc/30/21/70/608302170.db2.gz MFAIXXWIGYZHFD-KRWDZBQOSA-N -1 3 361.384 3.306 20 0 FGADHM C(=Cc1ccncn1)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000823861408 608317548 /nfs/dbraw/zinc/31/75/48/608317548.db2.gz HJGPNHQHPUHGGR-CMDGGOBGSA-N -1 3 356.389 3.406 20 0 FGADHM C(=Cc1ccncn1)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000823861408 608317550 /nfs/dbraw/zinc/31/75/50/608317550.db2.gz HJGPNHQHPUHGGR-CMDGGOBGSA-N -1 3 356.389 3.406 20 0 FGADHM COc1c(C)cc(C(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)cc1C ZINC000826167074 608342737 /nfs/dbraw/zinc/34/27/37/608342737.db2.gz OEBYNBHGCCFTCI-UHFFFAOYSA-N -1 3 371.828 3.422 20 0 FGADHM COc1c(C)cc(C(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)cc1C ZINC000826167074 608342738 /nfs/dbraw/zinc/34/27/38/608342738.db2.gz OEBYNBHGCCFTCI-UHFFFAOYSA-N -1 3 371.828 3.422 20 0 FGADHM CCN(C(=O)CCc1c(C)noc1C)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825371150 608344687 /nfs/dbraw/zinc/34/46/87/608344687.db2.gz CQMNPLOXVMLBFS-UHFFFAOYSA-N -1 3 374.832 3.111 20 0 FGADHM CCN(C(=O)CCc1c(C)noc1C)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825371150 608344688 /nfs/dbraw/zinc/34/46/88/608344688.db2.gz CQMNPLOXVMLBFS-UHFFFAOYSA-N -1 3 374.832 3.111 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1CN(Cc1ccco1)Cc1ccco1 ZINC000826168254 608350216 /nfs/dbraw/zinc/35/02/16/608350216.db2.gz HIECUSMLZNQVMS-UHFFFAOYSA-N -1 3 365.393 3.264 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1CN(Cc1ccco1)Cc1ccco1 ZINC000826168254 608350217 /nfs/dbraw/zinc/35/02/17/608350217.db2.gz HIECUSMLZNQVMS-UHFFFAOYSA-N -1 3 365.393 3.264 20 0 FGADHM CC[C@@H](OC1CCCCC1)C(=O)OCc1ccc(-c2nnn[n-]2)cc1OC ZINC000825154740 608362945 /nfs/dbraw/zinc/36/29/45/608362945.db2.gz SOEPBRNVQQIIJK-MRXNPFEDSA-N -1 3 374.441 3.046 20 0 FGADHM CC[C@@H](OC1CCCCC1)C(=O)OCc1ccc(-c2nn[n-]n2)cc1OC ZINC000825154740 608362947 /nfs/dbraw/zinc/36/29/47/608362947.db2.gz SOEPBRNVQQIIJK-MRXNPFEDSA-N -1 3 374.441 3.046 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1CN(C)Cc1ccc(Cl)c(F)c1 ZINC000826167913 608375465 /nfs/dbraw/zinc/37/54/65/608375465.db2.gz VXRSMBYJAYTYMK-UHFFFAOYSA-N -1 3 361.808 3.300 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1CN(C)Cc1ccc(Cl)c(F)c1 ZINC000826167913 608375467 /nfs/dbraw/zinc/37/54/67/608375467.db2.gz VXRSMBYJAYTYMK-UHFFFAOYSA-N -1 3 361.808 3.300 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)c1ccc(F)c(SC)c1 ZINC000826183936 608381070 /nfs/dbraw/zinc/38/10/70/608381070.db2.gz FRMHLRIGYJDATE-UHFFFAOYSA-N -1 3 374.397 3.093 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)c1ccc(F)c(SC)c1 ZINC000826183936 608381071 /nfs/dbraw/zinc/38/10/71/608381071.db2.gz FRMHLRIGYJDATE-UHFFFAOYSA-N -1 3 374.397 3.093 20 0 FGADHM CSc1cccc(N[C@@H](C)C(=O)Nc2ccccc2-c2nnn[n-]2)c1C ZINC000826230871 608385054 /nfs/dbraw/zinc/38/50/54/608385054.db2.gz MXRRSKIEOIVBRN-LBPRGKRZSA-N -1 3 368.466 3.336 20 0 FGADHM CSc1cccc(N[C@@H](C)C(=O)Nc2ccccc2-c2nn[n-]n2)c1C ZINC000826230871 608385055 /nfs/dbraw/zinc/38/50/55/608385055.db2.gz MXRRSKIEOIVBRN-LBPRGKRZSA-N -1 3 368.466 3.336 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1CNc1c(F)cc(Cl)cc1F ZINC000826170175 608388825 /nfs/dbraw/zinc/38/88/25/608388825.db2.gz QTSJUVOUIXAJMV-UHFFFAOYSA-N -1 3 351.744 3.419 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1CNc1c(F)cc(Cl)cc1F ZINC000826170175 608388827 /nfs/dbraw/zinc/38/88/27/608388827.db2.gz QTSJUVOUIXAJMV-UHFFFAOYSA-N -1 3 351.744 3.419 20 0 FGADHM C[C@H]1CCCC[C@H]1NC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824938157 608389192 /nfs/dbraw/zinc/38/91/92/608389192.db2.gz UCQSQUOZOQHFHZ-KBXCAEBGSA-N -1 3 366.469 3.244 20 0 FGADHM C[C@H]1CCCC[C@H]1NC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824938157 608389194 /nfs/dbraw/zinc/38/91/94/608389194.db2.gz UCQSQUOZOQHFHZ-KBXCAEBGSA-N -1 3 366.469 3.244 20 0 FGADHM Cc1ccccc1[C@@H]1CN(Cc2cccc(-c3nnn[n-]3)c2F)[C@H](C)CO1 ZINC000826307019 608397336 /nfs/dbraw/zinc/39/73/36/608397336.db2.gz UCZQNFVZQBTXEJ-KDOFPFPSSA-N -1 3 367.428 3.276 20 0 FGADHM Cc1ccccc1[C@@H]1CN(Cc2cccc(-c3nn[n-]n3)c2F)[C@H](C)CO1 ZINC000826307019 608397338 /nfs/dbraw/zinc/39/73/38/608397338.db2.gz UCZQNFVZQBTXEJ-KDOFPFPSSA-N -1 3 367.428 3.276 20 0 FGADHM CCc1ccc(NC(=O)COc2ccccc2-c2nnn[n-]2)cc1CC ZINC000825712170 608430839 /nfs/dbraw/zinc/43/08/39/608430839.db2.gz LNSQGXYDAJWDSH-UHFFFAOYSA-N -1 3 351.410 3.009 20 0 FGADHM CCc1ccc(NC(=O)COc2ccccc2-c2nn[n-]n2)cc1CC ZINC000825712170 608430841 /nfs/dbraw/zinc/43/08/41/608430841.db2.gz LNSQGXYDAJWDSH-UHFFFAOYSA-N -1 3 351.410 3.009 20 0 FGADHM C[C@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccccc1Cl ZINC000826232128 608433937 /nfs/dbraw/zinc/43/39/37/608433937.db2.gz QKFWUWLUXVAFGG-IIANPFDCSA-N -1 3 353.813 3.411 20 0 FGADHM C[C@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ccccc1Cl ZINC000826232128 608433940 /nfs/dbraw/zinc/43/39/40/608433940.db2.gz QKFWUWLUXVAFGG-IIANPFDCSA-N -1 3 353.813 3.411 20 0 FGADHM O=C(CCc1c[nH]c2ccccc12)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826408058 608435553 /nfs/dbraw/zinc/43/55/53/608435553.db2.gz NZAZAQUXYBARSM-UHFFFAOYSA-N -1 3 365.368 3.163 20 0 FGADHM O=C(CCc1c[nH]c2ccccc12)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826408058 608435555 /nfs/dbraw/zinc/43/55/55/608435555.db2.gz NZAZAQUXYBARSM-UHFFFAOYSA-N -1 3 365.368 3.163 20 0 FGADHM O=C(CCSc1ccccc1)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826407791 608435901 /nfs/dbraw/zinc/43/59/01/608435901.db2.gz BDIDTHDLSNIFNM-UHFFFAOYSA-N -1 3 358.398 3.231 20 0 FGADHM O=C(CCSc1ccccc1)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826407791 608435903 /nfs/dbraw/zinc/43/59/03/608435903.db2.gz BDIDTHDLSNIFNM-UHFFFAOYSA-N -1 3 358.398 3.231 20 0 FGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)c1cc(F)c(F)cc1Cl ZINC000826466049 608440859 /nfs/dbraw/zinc/44/08/59/608440859.db2.gz NNMXISJTFUVJNH-UHFFFAOYSA-N -1 3 368.702 3.294 20 0 FGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)c1cc(F)c(F)cc1Cl ZINC000826466049 608440861 /nfs/dbraw/zinc/44/08/61/608440861.db2.gz NNMXISJTFUVJNH-UHFFFAOYSA-N -1 3 368.702 3.294 20 0 FGADHM Cc1ccccc1OCCCC(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826307478 608441575 /nfs/dbraw/zinc/44/15/75/608441575.db2.gz KBHPEWXUTQOAKD-UHFFFAOYSA-N -1 3 370.384 3.217 20 0 FGADHM Cc1ccccc1OCCCC(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826307478 608441576 /nfs/dbraw/zinc/44/15/76/608441576.db2.gz KBHPEWXUTQOAKD-UHFFFAOYSA-N -1 3 370.384 3.217 20 0 FGADHM Cn1c2ccccc2nc1N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826356046 608442585 /nfs/dbraw/zinc/44/25/85/608442585.db2.gz YLKISAMSCNCKEV-UHFFFAOYSA-N -1 3 357.421 3.047 20 0 FGADHM Cn1c2ccccc2nc1N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826356046 608442587 /nfs/dbraw/zinc/44/25/87/608442587.db2.gz YLKISAMSCNCKEV-UHFFFAOYSA-N -1 3 357.421 3.047 20 0 FGADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@H](C(C)(C)C)C(F)(F)F ZINC000824737672 608455414 /nfs/dbraw/zinc/45/54/14/608455414.db2.gz KDQPEYAPPHTIBB-YMTOWFKASA-N -1 3 372.347 3.154 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)CCC(=O)c1cccc(F)c1 ZINC000826253472 608456390 /nfs/dbraw/zinc/45/63/90/608456390.db2.gz RMVWSZMVTSYKLL-UHFFFAOYSA-N -1 3 368.368 3.021 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)CCC(=O)c1cccc(F)c1 ZINC000826253472 608456391 /nfs/dbraw/zinc/45/63/91/608456391.db2.gz RMVWSZMVTSYKLL-UHFFFAOYSA-N -1 3 368.368 3.021 20 0 FGADHM C[C@@H]1CC[C@@H](CC(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)C1 ZINC000824909434 608484288 /nfs/dbraw/zinc/48/42/88/608484288.db2.gz TWZWDDSQRBQGKD-HUUCEWRRSA-N -1 3 351.454 3.309 20 0 FGADHM C[C@@H]1CC[C@@H](CC(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC000824909434 608484290 /nfs/dbraw/zinc/48/42/90/608484290.db2.gz TWZWDDSQRBQGKD-HUUCEWRRSA-N -1 3 351.454 3.309 20 0 FGADHM CCO[C@H](C)c1nc(CN[C@H](C)c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000825575941 608488825 /nfs/dbraw/zinc/48/88/25/608488825.db2.gz AJDMOWXNRXQAFU-VXGBXAGGSA-N -1 3 358.471 3.272 20 0 FGADHM C[C@H](NCc1ncc(-c2cccs2)o1)c1cccc(-c2nn[n-]n2)c1 ZINC000824634688 608490801 /nfs/dbraw/zinc/49/08/01/608490801.db2.gz XEMUJPQANKZGLJ-NSHDSACASA-N -1 3 352.423 3.434 20 0 FGADHM O=C(NC[C@@H]1CC=CCC1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826434661 608492167 /nfs/dbraw/zinc/49/21/67/608492167.db2.gz UAIRTBJFGMDMCT-OAHLLOKOSA-N -1 3 364.453 3.022 20 0 FGADHM O=C(NC[C@@H]1CC=CCC1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826434661 608492168 /nfs/dbraw/zinc/49/21/68/608492168.db2.gz UAIRTBJFGMDMCT-OAHLLOKOSA-N -1 3 364.453 3.022 20 0 FGADHM CCc1ccc(NC(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc1CC ZINC000825712434 608506921 /nfs/dbraw/zinc/50/69/21/608506921.db2.gz RUSQFHGPPFKRJW-UHFFFAOYSA-N -1 3 350.426 3.313 20 0 FGADHM CCc1ccc(NC(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1CC ZINC000825712434 608506922 /nfs/dbraw/zinc/50/69/22/608506922.db2.gz RUSQFHGPPFKRJW-UHFFFAOYSA-N -1 3 350.426 3.313 20 0 FGADHM C[C@H]1C[C@H](C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCC3)CCC1=O ZINC000824869370 608539290 /nfs/dbraw/zinc/53/92/90/608539290.db2.gz ZTYDMJYBSHHCFI-WDEREUQCSA-N -1 3 373.482 3.141 20 0 FGADHM C[C@H]1C[C@H](C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCC3)CCC1=O ZINC000824869370 608539292 /nfs/dbraw/zinc/53/92/92/608539292.db2.gz ZTYDMJYBSHHCFI-WDEREUQCSA-N -1 3 373.482 3.141 20 0 FGADHM CCc1ccnc(C(=O)N(CC)[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000825728691 608540038 /nfs/dbraw/zinc/54/00/38/608540038.db2.gz WGSSLCBXVYPZTD-CYBMUJFWSA-N -1 3 350.426 3.047 20 0 FGADHM CCc1ccnc(C(=O)N(CC)[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000825728691 608540041 /nfs/dbraw/zinc/54/00/41/608540041.db2.gz WGSSLCBXVYPZTD-CYBMUJFWSA-N -1 3 350.426 3.047 20 0 FGADHM CCCN(Cc1c(CC)nn(C)c1Cl)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000825318213 608545772 /nfs/dbraw/zinc/54/57/72/608545772.db2.gz JOCDRTAYMTVAGZ-UHFFFAOYSA-N -1 3 373.892 3.228 20 0 FGADHM CCS[C@@H]1CC[C@H](N(C)C(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)C1 ZINC000825669282 608576673 /nfs/dbraw/zinc/57/66/73/608576673.db2.gz UKWFNEADURQFEO-NWDGAFQWSA-N -1 3 365.890 3.266 20 0 FGADHM CCS[C@@H]1CC[C@H](N(C)C(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)C1 ZINC000825669282 608576674 /nfs/dbraw/zinc/57/66/74/608576674.db2.gz UKWFNEADURQFEO-NWDGAFQWSA-N -1 3 365.890 3.266 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H]1CCC(C)(C)C1 ZINC000825317842 608588288 /nfs/dbraw/zinc/58/82/88/608588288.db2.gz DJSMBEKEIYYCFU-MRXNPFEDSA-N -1 3 356.474 3.367 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1CCC(C)(C)C1 ZINC000825317842 608588290 /nfs/dbraw/zinc/58/82/90/608588290.db2.gz DJSMBEKEIYYCFU-MRXNPFEDSA-N -1 3 356.474 3.367 20 0 FGADHM CCCOc1ccc(NC(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000825338837 608615237 /nfs/dbraw/zinc/61/52/37/608615237.db2.gz ISEUMULWLQLZSB-UHFFFAOYSA-N -1 3 366.425 3.319 20 0 FGADHM CCCOc1ccc(NC(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825338837 608615240 /nfs/dbraw/zinc/61/52/40/608615240.db2.gz ISEUMULWLQLZSB-UHFFFAOYSA-N -1 3 366.425 3.319 20 0 FGADHM C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)N1Cc1cccc(-c2nnn[n-]2)c1F ZINC000825005904 608646780 /nfs/dbraw/zinc/64/67/80/608646780.db2.gz DZAODLCULPCOFF-LPMFXHHGSA-N -1 3 367.428 3.356 20 0 FGADHM C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)N1Cc1cccc(-c2nn[n-]n2)c1F ZINC000825005904 608646781 /nfs/dbraw/zinc/64/67/81/608646781.db2.gz DZAODLCULPCOFF-LPMFXHHGSA-N -1 3 367.428 3.356 20 0 FGADHM Cc1csc(=Nc2ccccc2-c2nnn[n-]2)n1[C@@H]1CCO[C@@H](C)C1 ZINC000826320460 608755165 /nfs/dbraw/zinc/75/51/65/608755165.db2.gz RLDKTXJKXUWUEH-QWHCGFSZSA-N -1 3 356.455 3.011 20 0 FGADHM Cc1csc(=Nc2ccccc2-c2nn[n-]n2)n1[C@@H]1CCO[C@@H](C)C1 ZINC000826320460 608755167 /nfs/dbraw/zinc/75/51/67/608755167.db2.gz RLDKTXJKXUWUEH-QWHCGFSZSA-N -1 3 356.455 3.011 20 0 FGADHM CON(Cc1ccccc1)Cc1ccc(-c2nnn[n-]2)cc1Br ZINC000826166481 609145017 /nfs/dbraw/zinc/14/50/17/609145017.db2.gz MMOIQCBBINSEMW-UHFFFAOYSA-N -1 3 374.242 3.193 20 0 FGADHM CON(Cc1ccccc1)Cc1ccc(-c2nn[n-]n2)cc1Br ZINC000826166481 609145018 /nfs/dbraw/zinc/14/50/18/609145018.db2.gz MMOIQCBBINSEMW-UHFFFAOYSA-N -1 3 374.242 3.193 20 0 FGADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)CC(F)(F)F)c1-c1nnn[n-]1 ZINC000826233736 609168410 /nfs/dbraw/zinc/16/84/10/609168410.db2.gz UFYRFJYBZJVDFM-UHFFFAOYSA-N -1 3 364.331 3.165 20 0 FGADHM CCNc1ccc(-c2nn[n-]n2)cc1NCc1ccn(C2CCCC2)n1 ZINC000825480790 609177955 /nfs/dbraw/zinc/17/79/55/609177955.db2.gz LBKYBVRFDQRINY-UHFFFAOYSA-N -1 3 352.446 3.222 20 0 FGADHM CCC(C)(C)C1CCC(NC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000825038531 609185854 /nfs/dbraw/zinc/18/58/54/609185854.db2.gz DYHGGWOHBDXCJF-OFLPRAFFSA-N -1 3 371.485 3.011 20 0 FGADHM CCC(C)(C)C1CCC(NC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825038531 609185855 /nfs/dbraw/zinc/18/58/55/609185855.db2.gz DYHGGWOHBDXCJF-OFLPRAFFSA-N -1 3 371.485 3.011 20 0 FGADHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N1CC=C(c2cccc3ccccc32)CC1 ZINC000826468658 609204455 /nfs/dbraw/zinc/20/44/55/609204455.db2.gz CEPAONHSDAXDCF-UHFFFAOYSA-N -1 3 370.416 3.278 20 0 FGADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1CC=C(c2cccc3ccccc32)CC1 ZINC000826468658 609204457 /nfs/dbraw/zinc/20/44/57/609204457.db2.gz CEPAONHSDAXDCF-UHFFFAOYSA-N -1 3 370.416 3.278 20 0 FGADHM COCc1nc2cc(N[C@H](C)c3cccc(-c4nnn[n-]4)c3)ccc2o1 ZINC000826165819 609243366 /nfs/dbraw/zinc/24/33/66/609243366.db2.gz LFQJPQSVCMCXCK-LLVKDONJSA-N -1 3 350.382 3.327 20 0 FGADHM COCc1nc2cc(N[C@H](C)c3cccc(-c4nn[n-]n4)c3)ccc2o1 ZINC000826165819 609243367 /nfs/dbraw/zinc/24/33/67/609243367.db2.gz LFQJPQSVCMCXCK-LLVKDONJSA-N -1 3 350.382 3.327 20 0 FGADHM CC(C)[C@H](N[C@H](C)c1ccc(-c2nnn[n-]2)c(F)c1)C(=O)OC(C)(C)C ZINC000824650231 609248549 /nfs/dbraw/zinc/24/85/49/609248549.db2.gz QHDPVDOYHUIAMZ-ABAIWWIYSA-N -1 3 363.437 3.023 20 0 FGADHM CC(C)[C@H](N[C@H](C)c1ccc(-c2nn[n-]n2)c(F)c1)C(=O)OC(C)(C)C ZINC000824650231 609248551 /nfs/dbraw/zinc/24/85/51/609248551.db2.gz QHDPVDOYHUIAMZ-ABAIWWIYSA-N -1 3 363.437 3.023 20 0 FGADHM CC(C)[C@@H](N[C@H]1CCCc2cc(-c3nnn[n-]3)ccc21)C(=O)OC(C)(C)C ZINC000824337563 609254179 /nfs/dbraw/zinc/25/41/79/609254179.db2.gz AXAJINLGWQXXFX-DLBZAZTESA-N -1 3 371.485 3.200 20 0 FGADHM CC(C)[C@@H](N[C@H]1CCCc2cc(-c3nn[n-]n3)ccc21)C(=O)OC(C)(C)C ZINC000824337563 609254180 /nfs/dbraw/zinc/25/41/80/609254180.db2.gz AXAJINLGWQXXFX-DLBZAZTESA-N -1 3 371.485 3.200 20 0 FGADHM CCN(C(=O)C=Cc1cccc(O)c1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367465 609268545 /nfs/dbraw/zinc/26/85/45/609268545.db2.gz QKRLQBHGWRRUEX-WEKMIXOTSA-N -1 3 363.421 3.195 20 0 FGADHM CCN(C(=O)C=Cc1cccc(O)c1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367465 609268547 /nfs/dbraw/zinc/26/85/47/609268547.db2.gz QKRLQBHGWRRUEX-WEKMIXOTSA-N -1 3 363.421 3.195 20 0 FGADHM CCNC(=O)c1cccc(N[C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)c1 ZINC000825476356 609272050 /nfs/dbraw/zinc/27/20/50/609272050.db2.gz HHWYIPBAIRGIEP-SFHVURJKSA-N -1 3 362.437 3.106 20 0 FGADHM CCNC(=O)c1cccc(N[C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)c1 ZINC000825476356 609272051 /nfs/dbraw/zinc/27/20/51/609272051.db2.gz HHWYIPBAIRGIEP-SFHVURJKSA-N -1 3 362.437 3.106 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1CNc1ccc2sc(C)nc2c1 ZINC000826184356 609280378 /nfs/dbraw/zinc/28/03/78/609280378.db2.gz ULEMORHDYPNXBH-UHFFFAOYSA-N -1 3 352.423 3.406 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1CNc1ccc2sc(C)nc2c1 ZINC000826184356 609280380 /nfs/dbraw/zinc/28/03/80/609280380.db2.gz ULEMORHDYPNXBH-UHFFFAOYSA-N -1 3 352.423 3.406 20 0 FGADHM CC1(C(=O)N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)CCCCCC1 ZINC000824783954 609283783 /nfs/dbraw/zinc/28/37/83/609283783.db2.gz LEPKGQDGWLFFBL-QGZVFWFLSA-N -1 3 369.469 3.127 20 0 FGADHM CC1(C(=O)N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)CCCCCC1 ZINC000824783954 609283784 /nfs/dbraw/zinc/28/37/84/609283784.db2.gz LEPKGQDGWLFFBL-QGZVFWFLSA-N -1 3 369.469 3.127 20 0 FGADHM O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826430041 609287474 /nfs/dbraw/zinc/28/74/74/609287474.db2.gz SBVCEJGMQYVASS-VHSXEESVSA-N -1 3 373.766 3.371 20 0 FGADHM O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826430041 609287476 /nfs/dbraw/zinc/28/74/76/609287476.db2.gz SBVCEJGMQYVASS-VHSXEESVSA-N -1 3 373.766 3.371 20 0 FGADHM Cc1ccc(OCCCNC(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)cc1 ZINC000826292487 609290221 /nfs/dbraw/zinc/29/02/21/609290221.db2.gz WPCMHSLVCLDCCR-UHFFFAOYSA-N -1 3 371.828 3.027 20 0 FGADHM Cc1ccc(OCCCNC(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)cc1 ZINC000826292487 609290223 /nfs/dbraw/zinc/29/02/23/609290223.db2.gz WPCMHSLVCLDCCR-UHFFFAOYSA-N -1 3 371.828 3.027 20 0 FGADHM O=C(N[C@@H](Cc1ccccc1)C1CC1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826427138 609292304 /nfs/dbraw/zinc/29/23/04/609292304.db2.gz GZEHJYPUCUVIBI-KRWDZBQOSA-N -1 3 367.840 3.271 20 0 FGADHM O=C(N[C@@H](Cc1ccccc1)C1CC1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826427138 609292306 /nfs/dbraw/zinc/29/23/06/609292306.db2.gz GZEHJYPUCUVIBI-KRWDZBQOSA-N -1 3 367.840 3.271 20 0 FGADHM C[C@H](c1ccco1)N(C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)C1CC1 ZINC000824773219 609297593 /nfs/dbraw/zinc/29/75/93/609297593.db2.gz ZXXHGASQIJMNDU-SNVBAGLBSA-N -1 3 357.801 3.479 20 0 FGADHM C[C@H](c1ccco1)N(C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)C1CC1 ZINC000824773219 609297595 /nfs/dbraw/zinc/29/75/95/609297595.db2.gz ZXXHGASQIJMNDU-SNVBAGLBSA-N -1 3 357.801 3.479 20 0 FGADHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CCCc1cccc(C)c1 ZINC000826297331 609311342 /nfs/dbraw/zinc/31/13/42/609311342.db2.gz CINCCAZPIFQGEI-UHFFFAOYSA-N -1 3 359.437 3.375 20 0 FGADHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CCCc1cccc(C)c1 ZINC000826297331 609311344 /nfs/dbraw/zinc/31/13/44/609311344.db2.gz CINCCAZPIFQGEI-UHFFFAOYSA-N -1 3 359.437 3.375 20 0 FGADHM Cc1ccsc1CNc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000826316635 609320003 /nfs/dbraw/zinc/32/00/03/609320003.db2.gz UFXHOIMSHYRQPL-UHFFFAOYSA-N -1 3 355.402 3.174 20 0 FGADHM CC(=O)c1cccc(OCc2ccc(-c3nnn[n-]3)cc2Br)c1 ZINC000824029731 609325332 /nfs/dbraw/zinc/32/53/32/609325332.db2.gz QOTJZTHCBDCUPN-UHFFFAOYSA-N -1 3 373.210 3.411 20 0 FGADHM CC(=O)c1cccc(OCc2ccc(-c3nn[n-]n3)cc2Br)c1 ZINC000824029731 609325333 /nfs/dbraw/zinc/32/53/33/609325333.db2.gz QOTJZTHCBDCUPN-UHFFFAOYSA-N -1 3 373.210 3.411 20 0 FGADHM Cc1cnc(NC(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)nc1 ZINC000826319085 609329702 /nfs/dbraw/zinc/32/97/02/609329702.db2.gz NTJOQAJXDCKVIQ-UHFFFAOYSA-N -1 3 373.376 3.010 20 0 FGADHM Cc1cnc(NC(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)nc1 ZINC000826319085 609329704 /nfs/dbraw/zinc/32/97/04/609329704.db2.gz NTJOQAJXDCKVIQ-UHFFFAOYSA-N -1 3 373.376 3.010 20 0 FGADHM C[C@@H](NCc1ccn(-c2ccccc2)n1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824627033 609331119 /nfs/dbraw/zinc/33/11/19/609331119.db2.gz SOFGDCDISGAIHA-CYBMUJFWSA-N -1 3 363.400 3.042 20 0 FGADHM C[C@@H](NCc1ccn(-c2ccccc2)n1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824627033 609331121 /nfs/dbraw/zinc/33/11/21/609331121.db2.gz SOFGDCDISGAIHA-CYBMUJFWSA-N -1 3 363.400 3.042 20 0 FGADHM Cc1ccsc1COC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000826316802 609339887 /nfs/dbraw/zinc/33/98/87/609339887.db2.gz ZGPQLUVBMMBHCF-UHFFFAOYSA-N -1 3 360.464 3.213 20 0 FGADHM Cc1ccsc1COC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000826316802 609339889 /nfs/dbraw/zinc/33/98/89/609339889.db2.gz ZGPQLUVBMMBHCF-UHFFFAOYSA-N -1 3 360.464 3.213 20 0 FGADHM C[C@@H](N[C@H]1COc2ccc(Cl)cc21)c1ccc(-c2nnn[n-]2)cc1F ZINC000824554495 609344049 /nfs/dbraw/zinc/34/40/49/609344049.db2.gz PSMJQZAHJPEMRS-PSLIRLAXSA-N -1 3 359.792 3.444 20 0 FGADHM C[C@@H](N[C@H]1COc2ccc(Cl)cc21)c1ccc(-c2nn[n-]n2)cc1F ZINC000824554495 609344052 /nfs/dbraw/zinc/34/40/52/609344052.db2.gz PSMJQZAHJPEMRS-PSLIRLAXSA-N -1 3 359.792 3.444 20 0 FGADHM C[C@@H](Nc1cccc(N2CCOCC2)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824662560 609346090 /nfs/dbraw/zinc/34/60/90/609346090.db2.gz NCHWITDJDPAEJU-CYBMUJFWSA-N -1 3 368.416 3.016 20 0 FGADHM C[C@@H](Nc1cccc(N2CCOCC2)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824662560 609346091 /nfs/dbraw/zinc/34/60/91/609346091.db2.gz NCHWITDJDPAEJU-CYBMUJFWSA-N -1 3 368.416 3.016 20 0 FGADHM C[C@H](NCc1ccc(OC(C)(C)C)nc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824619370 609348343 /nfs/dbraw/zinc/34/83/43/609348343.db2.gz XFFGTMWOEQVIFR-LBPRGKRZSA-N -1 3 370.432 3.429 20 0 FGADHM CCCNC(=O)c1cccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000825332536 609349838 /nfs/dbraw/zinc/34/98/38/609349838.db2.gz HNXCULJUFAKBNM-LBPRGKRZSA-N -1 3 368.416 3.319 20 0 FGADHM CCCNC(=O)c1cccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000825332536 609349839 /nfs/dbraw/zinc/34/98/39/609349839.db2.gz HNXCULJUFAKBNM-LBPRGKRZSA-N -1 3 368.416 3.319 20 0 FGADHM Brc1cc(-c2nn[n-]n2)ccc1CN1CCC[C@H]1c1ccc[nH]1 ZINC000823821727 609363797 /nfs/dbraw/zinc/36/37/97/609363797.db2.gz YMBFSAXZMHGLOG-HNNXBMFYSA-N -1 3 373.258 3.294 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C[C@H]1CCO[C@@H](CC)C1 ZINC000825318100 609375539 /nfs/dbraw/zinc/37/55/39/609375539.db2.gz IPESZQRTGRVNAI-WMZOPIPTSA-N -1 3 371.485 3.201 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C[C@H]1CCO[C@@H](CC)C1 ZINC000825318100 609375541 /nfs/dbraw/zinc/37/55/41/609375541.db2.gz IPESZQRTGRVNAI-WMZOPIPTSA-N -1 3 371.485 3.201 20 0 FGADHM CC[C@H]1C[C@@H](CC(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)CCO1 ZINC000825184694 609394543 /nfs/dbraw/zinc/39/45/43/609394543.db2.gz YHUCOYYQSAEUSW-AAEUAGOBSA-N -1 3 363.849 3.078 20 0 FGADHM CC[C@H]1C[C@@H](CC(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)CCO1 ZINC000825184694 609394544 /nfs/dbraw/zinc/39/45/44/609394544.db2.gz YHUCOYYQSAEUSW-AAEUAGOBSA-N -1 3 363.849 3.078 20 0 FGADHM O=C(N[C@]1(C(F)(F)F)CCc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000826427562 609406813 /nfs/dbraw/zinc/40/68/13/609406813.db2.gz UFQQTGGMOGSFDY-QGZVFWFLSA-N -1 3 373.338 3.001 20 0 FGADHM O=C(N[C@]1(C(F)(F)F)CCc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000826427562 609406814 /nfs/dbraw/zinc/40/68/14/609406814.db2.gz UFQQTGGMOGSFDY-QGZVFWFLSA-N -1 3 373.338 3.001 20 0 FGADHM CCc1ccc(N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)cc1 ZINC000825717153 609410621 /nfs/dbraw/zinc/41/06/21/609410621.db2.gz HQGZHQODYFKFDQ-SFHVURJKSA-N -1 3 362.437 3.037 20 0 FGADHM CCc1ccc(N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)cc1 ZINC000825717153 609410622 /nfs/dbraw/zinc/41/06/22/609410622.db2.gz HQGZHQODYFKFDQ-SFHVURJKSA-N -1 3 362.437 3.037 20 0 FGADHM C[C@H]1CC[C@@]2(CCN(C(=O)C(C)(C)Oc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC000824915210 609412278 /nfs/dbraw/zinc/41/22/78/609412278.db2.gz CJRJQBFWKUSCTF-VBKZILBWSA-N -1 3 369.469 3.063 20 0 FGADHM C[C@H]1CC[C@@]2(CCN(C(=O)C(C)(C)Oc3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC000824915210 609412281 /nfs/dbraw/zinc/41/22/81/609412281.db2.gz CJRJQBFWKUSCTF-VBKZILBWSA-N -1 3 369.469 3.063 20 0 FGADHM O=C1[C@H](SCc2ccccc2)CCCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000826477776 609416217 /nfs/dbraw/zinc/41/62/17/609416217.db2.gz LLDVTABSGZORTE-QGZVFWFLSA-N -1 3 365.462 3.296 20 0 FGADHM O=C1[C@H](SCc2ccccc2)CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826477776 609416220 /nfs/dbraw/zinc/41/62/20/609416220.db2.gz LLDVTABSGZORTE-QGZVFWFLSA-N -1 3 365.462 3.296 20 0 FGADHM O=C(Nc1ccccc1SCC(F)(F)F)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826457901 609424075 /nfs/dbraw/zinc/42/40/75/609424075.db2.gz VIOIIXADVTUILI-UHFFFAOYSA-N -1 3 368.344 3.102 20 0 FGADHM O=C(Nc1ccccc1SCC(F)(F)F)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826457901 609424076 /nfs/dbraw/zinc/42/40/76/609424076.db2.gz VIOIIXADVTUILI-UHFFFAOYSA-N -1 3 368.344 3.102 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1CNc1c(F)cccc1NC(C)C ZINC000826170933 609440034 /nfs/dbraw/zinc/44/00/34/609440034.db2.gz VYDIVTFRVAXIFG-UHFFFAOYSA-N -1 3 356.405 3.447 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1CNc1c(F)cccc1NC(C)C ZINC000826170933 609440036 /nfs/dbraw/zinc/44/00/36/609440036.db2.gz VYDIVTFRVAXIFG-UHFFFAOYSA-N -1 3 356.405 3.447 20 0 FGADHM CN(C(=O)c1ccnc(SC(C)(C)C)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000825833255 609446190 /nfs/dbraw/zinc/44/61/90/609446190.db2.gz DKSFCARZPFPHFT-UHFFFAOYSA-N -1 3 368.466 3.429 20 0 FGADHM CN(C(=O)c1ccnc(SC(C)(C)C)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000825833255 609446192 /nfs/dbraw/zinc/44/61/92/609446192.db2.gz DKSFCARZPFPHFT-UHFFFAOYSA-N -1 3 368.466 3.429 20 0 FGADHM CCCCNC(=O)[C@H](C)Sc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000825285372 609452248 /nfs/dbraw/zinc/45/22/48/609452248.db2.gz SOTACKTUMAUSOE-VIFPVBQESA-N -1 3 373.404 3.282 20 0 FGADHM CCCCNC(=O)[C@H](C)Sc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000825285372 609452250 /nfs/dbraw/zinc/45/22/50/609452250.db2.gz SOTACKTUMAUSOE-VIFPVBQESA-N -1 3 373.404 3.282 20 0 FGADHM FC(F)(F)c1cc(SCCOC[C@H]2CCCO2)ccc1-c1nnn[n-]1 ZINC000826368264 609453951 /nfs/dbraw/zinc/45/39/51/609453951.db2.gz JKJBFVBVCSOHHS-SNVBAGLBSA-N -1 3 374.388 3.173 20 0 FGADHM FC(F)(F)c1cc(SCCOC[C@H]2CCCO2)ccc1-c1nn[n-]n1 ZINC000826368264 609453953 /nfs/dbraw/zinc/45/39/53/609453953.db2.gz JKJBFVBVCSOHHS-SNVBAGLBSA-N -1 3 374.388 3.173 20 0 FGADHM FC(F)(F)[C@@H]1CCC[C@@H](Nc2nc3ccccn3c2-c2nnn[n-]2)C1 ZINC000826367169 609460215 /nfs/dbraw/zinc/46/02/15/609460215.db2.gz OJZCTNTZGFULNA-NXEZZACHSA-N -1 3 351.336 3.047 20 0 FGADHM FC(F)(F)[C@@H]1CCC[C@@H](Nc2nc3ccccn3c2-c2nn[n-]n2)C1 ZINC000826367169 609460217 /nfs/dbraw/zinc/46/02/17/609460217.db2.gz OJZCTNTZGFULNA-NXEZZACHSA-N -1 3 351.336 3.047 20 0 FGADHM Cc1noc(C2CC2)c1C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000826339739 609479095 /nfs/dbraw/zinc/47/90/95/609479095.db2.gz REDPJLXLWIYNIG-UHFFFAOYSA-N -1 3 366.425 3.091 20 0 FGADHM Cc1noc(C2CC2)c1C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000826339739 609479097 /nfs/dbraw/zinc/47/90/97/609479097.db2.gz REDPJLXLWIYNIG-UHFFFAOYSA-N -1 3 366.425 3.091 20 0 FGADHM CCOC(=O)Nc1ccc(N[C@H]2CCO[C@H](C(C)C)C2)cc1-c1nnn[n-]1 ZINC000825552741 609487579 /nfs/dbraw/zinc/48/75/79/609487579.db2.gz DHSBWUPIRTYBRP-BBRMVZONSA-N -1 3 374.445 3.051 20 0 FGADHM CCOC(=O)Nc1ccc(N[C@H]2CCO[C@H](C(C)C)C2)cc1-c1nn[n-]n1 ZINC000825552741 609487581 /nfs/dbraw/zinc/48/75/81/609487581.db2.gz DHSBWUPIRTYBRP-BBRMVZONSA-N -1 3 374.445 3.051 20 0 FGADHM CCOC(=O)Nc1ccc(NCc2ccc(C)cc2)cc1-c1nnn[n-]1 ZINC000825553215 609490737 /nfs/dbraw/zinc/49/07/37/609490737.db2.gz NBKBNEJFRWRLFL-UHFFFAOYSA-N -1 3 352.398 3.356 20 0 FGADHM CCOC(=O)Nc1ccc(NCc2ccc(C)cc2)cc1-c1nn[n-]n1 ZINC000825553215 609490739 /nfs/dbraw/zinc/49/07/39/609490739.db2.gz NBKBNEJFRWRLFL-UHFFFAOYSA-N -1 3 352.398 3.356 20 0 FGADHM Cc1cn(Cc2ccc(Br)c3cccnc23)cc1-c1nnn[n-]1 ZINC000826316841 609503108 /nfs/dbraw/zinc/50/31/08/609503108.db2.gz AUNJYJJTOAJRRF-UHFFFAOYSA-N -1 3 369.226 3.336 20 0 FGADHM Cc1cn(Cc2ccc(Br)c3cccnc23)cc1-c1nn[n-]n1 ZINC000826316841 609503109 /nfs/dbraw/zinc/50/31/09/609503109.db2.gz AUNJYJJTOAJRRF-UHFFFAOYSA-N -1 3 369.226 3.336 20 0 FGADHM Cc1cc(C(=O)O[C@H](C)c2ccccc2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826260752 609511587 /nfs/dbraw/zinc/51/15/87/609511587.db2.gz CXITWCBEPGNNSM-CQSZACIVSA-N -1 3 374.404 3.279 20 0 FGADHM Cc1cc(C(=O)O[C@H](C)c2ccccc2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826260752 609511588 /nfs/dbraw/zinc/51/15/88/609511588.db2.gz CXITWCBEPGNNSM-CQSZACIVSA-N -1 3 374.404 3.279 20 0 FGADHM COc1ccc(CN(C)c2ncc(Cl)c(C)c2-c2nnn[n-]2)cc1F ZINC000826193042 609521566 /nfs/dbraw/zinc/52/15/66/609521566.db2.gz NNLONIILVHJZIY-UHFFFAOYSA-N -1 3 362.796 3.008 20 0 FGADHM COc1ccc(CN(C)c2ncc(Cl)c(C)c2-c2nn[n-]n2)cc1F ZINC000826193042 609521569 /nfs/dbraw/zinc/52/15/69/609521569.db2.gz NNLONIILVHJZIY-UHFFFAOYSA-N -1 3 362.796 3.008 20 0 FGADHM Cc1c(Cl)cnc(Nc2ccc(N3CCCCC3)nc2)c1-c1nnn[n-]1 ZINC000826240160 609527069 /nfs/dbraw/zinc/52/70/69/609527069.db2.gz GPAMJZCQSOEJJQ-UHFFFAOYSA-N -1 3 370.848 3.352 20 0 FGADHM Cc1c(Cl)cnc(Nc2ccc(N3CCCCC3)nc2)c1-c1nn[n-]n1 ZINC000826240160 609527071 /nfs/dbraw/zinc/52/70/71/609527071.db2.gz GPAMJZCQSOEJJQ-UHFFFAOYSA-N -1 3 370.848 3.352 20 0 FGADHM CCC[C@H]1C[C@H](C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(C)C)CCO1 ZINC000825255163 609532195 /nfs/dbraw/zinc/53/21/95/609532195.db2.gz VZPLINNMAPVTRT-CABCVRRESA-N -1 3 373.457 3.188 20 0 FGADHM CCC[C@H]1C[C@H](C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(C)C)CCO1 ZINC000825255163 609532197 /nfs/dbraw/zinc/53/21/97/609532197.db2.gz VZPLINNMAPVTRT-CABCVRRESA-N -1 3 373.457 3.188 20 0 FGADHM Cc1ccnc(NC[C@H]2CCCO[C@@H]2c2ccccc2)c1-c1nnn[n-]1 ZINC000826313699 609540558 /nfs/dbraw/zinc/54/05/58/609540558.db2.gz QHXYMWJTMONDGX-NVXWUHKLSA-N -1 3 350.426 3.150 20 0 FGADHM Cc1ccnc(NC[C@H]2CCCO[C@@H]2c2ccccc2)c1-c1nn[n-]n1 ZINC000826313699 609540559 /nfs/dbraw/zinc/54/05/59/609540559.db2.gz QHXYMWJTMONDGX-NVXWUHKLSA-N -1 3 350.426 3.150 20 0 FGADHM Cc1c(Cl)cnc(NC[C@@H]2CCCO[C@H]2C(C)(C)C)c1-c1nnn[n-]1 ZINC000826239648 609556933 /nfs/dbraw/zinc/55/69/33/609556933.db2.gz MURFLTZSMDMXKQ-SMDDNHRTSA-N -1 3 364.881 3.477 20 0 FGADHM Cc1c(Cl)cnc(NC[C@@H]2CCCO[C@H]2C(C)(C)C)c1-c1nn[n-]n1 ZINC000826239648 609556935 /nfs/dbraw/zinc/55/69/35/609556935.db2.gz MURFLTZSMDMXKQ-SMDDNHRTSA-N -1 3 364.881 3.477 20 0 FGADHM Cc1c(Cl)cnc(NC[C@H](C[C@@H](C)O)c2ccccc2)c1-c1nnn[n-]1 ZINC000826239351 609575887 /nfs/dbraw/zinc/57/58/87/609575887.db2.gz DWBLYLJWSWYEBB-RISCZKNCSA-N -1 3 372.860 3.190 20 0 FGADHM Cc1c(Cl)cnc(NC[C@H](C[C@@H](C)O)c2ccccc2)c1-c1nn[n-]n1 ZINC000826239351 609575889 /nfs/dbraw/zinc/57/58/89/609575889.db2.gz DWBLYLJWSWYEBB-RISCZKNCSA-N -1 3 372.860 3.190 20 0 FGADHM Cc1c(Cl)cnc(N[C@H](C)C[C@H](O)c2ccccc2)c1-c1nnn[n-]1 ZINC000826239165 609575910 /nfs/dbraw/zinc/57/59/10/609575910.db2.gz ZDBRVNOQYSJWEQ-YGRLFVJLSA-N -1 3 358.833 3.148 20 0 FGADHM Cc1c(Cl)cnc(N[C@H](C)C[C@H](O)c2ccccc2)c1-c1nn[n-]n1 ZINC000826239165 609575913 /nfs/dbraw/zinc/57/59/13/609575913.db2.gz ZDBRVNOQYSJWEQ-YGRLFVJLSA-N -1 3 358.833 3.148 20 0 FGADHM C[C@@H]1CC(C(=O)Nc2ccnn2-c2ccc(-c3nn[n-]n3)cc2)C[C@@H](C)C1 ZINC000824875722 609578685 /nfs/dbraw/zinc/57/86/85/609578685.db2.gz NZXYDTJZUVOPLA-STQMWFEESA-N -1 3 365.441 3.063 20 0 FGADHM Cc1c(Cl)cnc(N[C@@H]2CC[C@H]3SCCS[C@@H]23)c1-c1nnn[n-]1 ZINC000826239099 609582626 /nfs/dbraw/zinc/58/26/26/609582626.db2.gz XVCBYDDUDFJQKL-FOGDFJRCSA-N -1 3 368.919 3.015 20 0 FGADHM Cc1c(Cl)cnc(N[C@@H]2CC[C@H]3SCCS[C@@H]23)c1-c1nn[n-]n1 ZINC000826239099 609582628 /nfs/dbraw/zinc/58/26/28/609582628.db2.gz XVCBYDDUDFJQKL-FOGDFJRCSA-N -1 3 368.919 3.015 20 0 FGADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)N1CCC[C@@H]1/C=C\c1ccccc1 ZINC000826442266 609594209 /nfs/dbraw/zinc/59/42/09/609594209.db2.gz OXMBQVCNUKRBTP-YAINUAMHSA-N -1 3 374.448 3.254 20 0 FGADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)N1CCC[C@@H]1/C=C\c1ccccc1 ZINC000826442266 609594210 /nfs/dbraw/zinc/59/42/10/609594210.db2.gz OXMBQVCNUKRBTP-YAINUAMHSA-N -1 3 374.448 3.254 20 0 FGADHM CSCCCCCCNC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826228106 609602772 /nfs/dbraw/zinc/60/27/72/609602772.db2.gz FAJHWRRYMMYQFE-ZDUSSCGKSA-N -1 3 362.503 3.150 20 0 FGADHM CSCCCCCCNC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826228106 609602774 /nfs/dbraw/zinc/60/27/74/609602774.db2.gz FAJHWRRYMMYQFE-ZDUSSCGKSA-N -1 3 362.503 3.150 20 0 FGADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N(C)C[C@@H]1CC=CCC1 ZINC000824207116 609607964 /nfs/dbraw/zinc/60/79/64/609607964.db2.gz PXVZJHVJKIGWMH-CRAIPNDOSA-N -1 3 369.469 3.085 20 0 FGADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N(C)C[C@@H]1CC=CCC1 ZINC000824207116 609607967 /nfs/dbraw/zinc/60/79/67/609607967.db2.gz PXVZJHVJKIGWMH-CRAIPNDOSA-N -1 3 369.469 3.085 20 0 FGADHM O=C(OCc1ccc(Cl)cc1-c1nnn[n-]1)[C@H]1CSc2ccccc21 ZINC000826465680 609613847 /nfs/dbraw/zinc/61/38/47/609613847.db2.gz XBAGPDARMRPCNY-AWEZNQCLSA-N -1 3 372.837 3.453 20 0 FGADHM O=C(OCc1ccc(Cl)cc1-c1nn[n-]n1)[C@H]1CSc2ccccc21 ZINC000826465680 609613849 /nfs/dbraw/zinc/61/38/49/609613849.db2.gz XBAGPDARMRPCNY-AWEZNQCLSA-N -1 3 372.837 3.453 20 0 FGADHM O=C(OCc1ccc(Cl)cc1-c1nnn[n-]1)c1ccnn1C1CCCC1 ZINC000826465732 609613897 /nfs/dbraw/zinc/61/38/97/609613897.db2.gz ZXDQQOHCXGPTIK-UHFFFAOYSA-N -1 3 372.816 3.189 20 0 FGADHM O=C(OCc1ccc(Cl)cc1-c1nn[n-]n1)c1ccnn1C1CCCC1 ZINC000826465732 609613899 /nfs/dbraw/zinc/61/38/99/609613899.db2.gz ZXDQQOHCXGPTIK-UHFFFAOYSA-N -1 3 372.816 3.189 20 0 FGADHM Cc1ccc2c(c1)[C@H](NC(=O)c1c(F)cc(-c3nnn[n-]3)cc1F)[C@@H](C)C2 ZINC000826294592 609625961 /nfs/dbraw/zinc/62/59/61/609625961.db2.gz WHRLTNVKILUPSL-DYZYQPBXSA-N -1 3 369.375 3.117 20 0 FGADHM Cc1ccc2c(c1)[C@H](NC(=O)c1c(F)cc(-c3nn[n-]n3)cc1F)[C@@H](C)C2 ZINC000826294592 609625962 /nfs/dbraw/zinc/62/59/62/609625962.db2.gz WHRLTNVKILUPSL-DYZYQPBXSA-N -1 3 369.375 3.117 20 0 FGADHM Cc1ccc(NC(=O)COC(=O)c2ccc([O-])cc2)c(Br)c1 ZINC000003508041 695540578 /nfs/dbraw/zinc/54/05/78/695540578.db2.gz BBJIIZBNQKBDNU-UHFFFAOYSA-N -1 3 364.195 3.259 20 0 FGADHM O=C(OCc1cc2c(cc1Br)OCCO2)c1ccc([O-])cc1 ZINC000005693867 695550806 /nfs/dbraw/zinc/55/08/06/695550806.db2.gz DPLLNWBEOXJRDJ-UHFFFAOYSA-N -1 3 365.179 3.283 20 0 FGADHM CC[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)cc(Br)c1OC ZINC000024224142 695666641 /nfs/dbraw/zinc/66/66/41/695666641.db2.gz PYTJURWDORQURY-SSDOTTSWSA-N -1 3 356.669 3.188 20 0 FGADHM COCCOc1ccc(S(=O)(=O)[N-]c2ccc(SC)cc2)cc1 ZINC000026535642 695684842 /nfs/dbraw/zinc/68/48/42/695684842.db2.gz VJYHNHLGSIGCRL-UHFFFAOYSA-N -1 3 353.465 3.235 20 0 FGADHM Cc1cc(C)cc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)c1 ZINC000028999129 695707560 /nfs/dbraw/zinc/70/75/60/695707560.db2.gz VHUFFZPMTSLDDH-UHFFFAOYSA-N -1 3 362.426 3.136 20 0 FGADHM CC(C)CC[C@@H](C)NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000046122301 695833168 /nfs/dbraw/zinc/83/31/68/695833168.db2.gz RJYGKMZBIXQDJF-CYBMUJFWSA-N -1 3 358.479 3.067 20 0 FGADHM O=C([N-]c1ccc(Cl)cc1F)c1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000046305946 695837071 /nfs/dbraw/zinc/83/70/71/695837071.db2.gz ZGILTRFDUKFJME-UHFFFAOYSA-N -1 3 372.805 3.109 20 0 FGADHM C[C@H](Sc1ccccc1Cl)C(=O)N[N-]C(=O)c1ccccc1F ZINC000048185265 695874419 /nfs/dbraw/zinc/87/44/19/695874419.db2.gz SIVWWTAIVYQHEF-JTQLQIEISA-N -1 3 352.818 3.421 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2ccc3oc(=O)ccc3c2)cc1Cl ZINC000054294273 695939045 /nfs/dbraw/zinc/93/90/45/695939045.db2.gz SKFBIDPAYLEKST-UHFFFAOYSA-N -1 3 365.794 3.256 20 0 FGADHM CCN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)C1CCCCC1 ZINC000071863314 695958411 /nfs/dbraw/zinc/95/84/11/695958411.db2.gz ZUUYDOJXQKDQMC-UHFFFAOYSA-N -1 3 368.474 3.061 20 0 FGADHM C[C@@H](NC(=O)N[N-]C(=O)c1ccccc1Br)C1CCCCC1 ZINC000074504420 700194762 /nfs/dbraw/zinc/19/47/62/700194762.db2.gz BYMJCCVPQXGZTP-LLVKDONJSA-N -1 3 368.275 3.362 20 0 FGADHM CO[C@H](CNC(=O)NN=c1[n-]c(Cl)c(Cl)cc1Cl)C(C)C ZINC000074932337 700202110 /nfs/dbraw/zinc/20/21/10/700202110.db2.gz RZFLRBCMDMFIKJ-SECBINFHSA-N -1 3 355.653 3.339 20 0 FGADHM COC(=O)N(C)c1ccc([N-]S(=O)(=O)c2cc(C)c(F)c(C)c2)cc1 ZINC000078239707 700274832 /nfs/dbraw/zinc/27/48/32/700274832.db2.gz CIMKBHOAZFFXBI-UHFFFAOYSA-N -1 3 366.414 3.446 20 0 FGADHM COc1ccc(Cl)cc1CN(C)C(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC000078805040 700288801 /nfs/dbraw/zinc/28/88/01/700288801.db2.gz GYDARBLLDIHUQZ-UHFFFAOYSA-N -1 3 363.845 3.136 20 0 FGADHM C/C(=C\C(=O)N[N-]C(=O)c1ccc(F)cc1Br)C(C)(C)C ZINC000079649168 700302749 /nfs/dbraw/zinc/30/27/49/700302749.db2.gz QQLPOLUCMOJRMF-VQHVLOKHSA-N -1 3 357.223 3.342 20 0 FGADHM COC(=O)c1sc2[n-]c(CN(C)c3ccc(C)cc3)nc(=O)c2c1C ZINC000101562237 700468023 /nfs/dbraw/zinc/46/80/23/700468023.db2.gz KFYLAENWYVSRTO-UHFFFAOYSA-N -1 3 357.435 3.024 20 0 FGADHM O=S(=O)([N-]c1ccc(N2CCOCC2)c(F)c1)c1ccc(Cl)cc1 ZINC000102748104 700477736 /nfs/dbraw/zinc/47/77/36/700477736.db2.gz ZOSHFHFKJUSSHT-UHFFFAOYSA-N -1 3 370.833 3.117 20 0 FGADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H](c1ccc(F)cc1)C1CCC1 ZINC000104743085 700496039 /nfs/dbraw/zinc/49/60/39/700496039.db2.gz NCLLFJWGWOOJPF-AWEZNQCLSA-N -1 3 371.865 3.341 20 0 FGADHM CCCCC[C@H](C)NC(=O)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F ZINC000105594450 700502510 /nfs/dbraw/zinc/50/25/10/700502510.db2.gz DVOWRGZMLCSGLR-NSHDSACASA-N -1 3 374.453 3.104 20 0 FGADHM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3cccc(-c4cn[nH]c4)c3)ccc2O1 ZINC000121093258 700665778 /nfs/dbraw/zinc/66/57/78/700665778.db2.gz JVXVKQRXFMCKOQ-GFCCVEGCSA-N -1 3 355.419 3.201 20 0 FGADHM Cc1c([O-])ccc2c(CN3CCN(c4cccs4)CC3)cc(=O)oc12 ZINC000121450073 700672757 /nfs/dbraw/zinc/67/27/57/700672757.db2.gz MJUSLAGQBCUDFH-UHFFFAOYSA-N -1 3 356.447 3.191 20 0 FGADHM O=S(=O)([N-]C[C@@H](O)c1ccc(Cl)c(F)c1)c1ccc(Cl)s1 ZINC000135014081 704836396 /nfs/dbraw/zinc/83/63/96/704836396.db2.gz HBVBRFJFLMWVED-SNVBAGLBSA-N -1 3 370.254 3.206 20 0 FGADHM O=C(Nc1ccc(Br)cc1[O-])c1cccc(C2OCCO2)c1 ZINC000135886065 704854769 /nfs/dbraw/zinc/85/47/69/704854769.db2.gz HRYWSCSBIUCMJA-UHFFFAOYSA-N -1 3 364.195 3.452 20 0 FGADHM O=C(Nc1cc(Cl)ccc1NC1CC1)c1nnc2ccccc2c1[O-] ZINC000136166576 704858876 /nfs/dbraw/zinc/85/88/76/704858876.db2.gz NDPVEELMEGXLQQ-UHFFFAOYSA-N -1 3 354.797 3.403 20 0 FGADHM O=C(N[C@H]1C[C@H]1c1c(F)cccc1Cl)c1nnc2ccccc2c1[O-] ZINC000153410548 704997770 /nfs/dbraw/zinc/99/77/70/704997770.db2.gz LTABNPYFPMWKEW-YGRLFVJLSA-N -1 3 357.772 3.002 20 0 FGADHM O=C(CN1C(=S)N=NC1c1cccs1)Nc1ccc(Cl)cc1[O-] ZINC000153615609 705005822 /nfs/dbraw/zinc/00/58/22/705005822.db2.gz PYTZUXKEBROUPQ-UHFFFAOYSA-N -1 3 366.855 3.293 20 0 FGADHM CSCC[C@H](C)[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000156249507 705108117 /nfs/dbraw/zinc/10/81/17/705108117.db2.gz YXHLPKFEFHQOSE-QMMMGPOBSA-N -1 3 356.282 3.008 20 0 FGADHM Cc1nn(C)c(C)c1CCC(=O)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000160709761 705259591 /nfs/dbraw/zinc/25/95/91/705259591.db2.gz 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705858685 /nfs/dbraw/zinc/85/86/85/705858685.db2.gz JIDQWZJJMZTHQE-HZPDHXFCSA-N -1 3 356.488 3.072 20 0 FGADHM CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)[N-]OCc2ccc(F)cc2)C1 ZINC000184245567 705925444 /nfs/dbraw/zinc/92/54/44/705925444.db2.gz QHVHRKATLSZTFD-CQSZACIVSA-N -1 3 352.406 3.021 20 0 FGADHM O=C(NCc1ccc([O-])c(Br)c1)NOCc1ccc(F)cc1 ZINC000184685296 712675010 /nfs/dbraw/zinc/67/50/10/712675010.db2.gz WHXVJBUSBSZNRF-UHFFFAOYSA-N -1 3 369.190 3.225 20 0 FGADHM Cc1cc(C)[n-]c(=NNC(=O)Nc2cc(F)c(Br)cc2C)n1 ZINC000184826583 712676737 /nfs/dbraw/zinc/67/67/37/712676737.db2.gz FXKLBRFWECXPOF-UHFFFAOYSA-N -1 3 368.210 3.452 20 0 FGADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)[C@@H](O)c2ccc(F)cc2)sc1Cl ZINC000188039592 712760111 /nfs/dbraw/zinc/76/01/11/712760111.db2.gz FIDAPMBFNFYUOA-TVQRCGJNSA-N -1 3 363.863 3.249 20 0 FGADHM O=C1CCCc2ccc([N-]S(=O)(=O)C3=Cc4ccccc4OC3)cc21 ZINC000190314453 712811543 /nfs/dbraw/zinc/81/15/43/712811543.db2.gz AMSXECJAQIWWAG-UHFFFAOYSA-N -1 3 355.415 3.381 20 0 FGADHM CCOC(=O)N[N-]C(=O)c1cnn(-c2ccccc2Cl)c1C(C)C ZINC000190375264 712813212 /nfs/dbraw/zinc/81/32/12/712813212.db2.gz GGKYOTXGOFEOIA-UHFFFAOYSA-N -1 3 350.806 3.040 20 0 FGADHM O=S(=O)(CCCCCl)[N-]c1cnn(Cc2ccc(Cl)cc2)c1 ZINC000190786934 712822714 /nfs/dbraw/zinc/82/27/14/712822714.db2.gz PZUDRRWTYSFNPW-UHFFFAOYSA-N -1 3 362.282 3.346 20 0 FGADHM Cc1cc(NCc2cc(=O)[n-]c(C3CCC3)n2)nc(-c2cccs2)n1 ZINC000641681265 717919695 /nfs/dbraw/zinc/91/96/95/717919695.db2.gz KOVLLJGJFDWEFO-UHFFFAOYSA-N -1 3 353.451 3.311 20 0 FGADHM COCC1(S(=O)(=O)[N-]c2cc(F)c(Br)cc2Cl)CC1 ZINC000641685432 717920471 /nfs/dbraw/zinc/92/04/71/717920471.db2.gz FOUYGBYISNAKHC-UHFFFAOYSA-N -1 3 372.643 3.162 20 0 FGADHM C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000263065557 713735325 /nfs/dbraw/zinc/73/53/25/713735325.db2.gz GECSHLMWDCATFF-RRFJBIMHSA-N -1 3 366.889 3.483 20 0 FGADHM COc1cc(-n2c([O-])c(CC(F)(F)F)[nH]c2=O)ccc1C(F)(F)F ZINC000348583290 713847732 /nfs/dbraw/zinc/84/77/32/713847732.db2.gz SFLKCENBVSZGSU-QMMMGPOBSA-N -1 3 356.222 3.091 20 0 FGADHM O=C(NCc1ncccc1[O-])N[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000641838521 717933333 /nfs/dbraw/zinc/93/33/33/717933333.db2.gz ZYDJJZREPLQIGX-QWHCGFSZSA-N -1 3 351.328 3.161 20 0 FGADHM O=C(c1c([O-])cnc2ccc(Cl)cc21)N1CCC(c2c[nH]cn2)CC1 ZINC000374556517 713930452 /nfs/dbraw/zinc/93/04/52/713930452.db2.gz MTFLFQHYHTVHGY-UHFFFAOYSA-N -1 3 356.813 3.337 20 0 FGADHM O=C(c1c([O-])cnc2ccc(Cl)cc21)N1CCC(c2cnc[nH]2)CC1 ZINC000374556517 713930454 /nfs/dbraw/zinc/93/04/54/713930454.db2.gz MTFLFQHYHTVHGY-UHFFFAOYSA-N -1 3 356.813 3.337 20 0 FGADHM O=S(=O)([N-][C@@H](CO)C1CCCC1)c1ccc(Cl)cc1C(F)(F)F ZINC000386008126 713984199 /nfs/dbraw/zinc/98/41/99/713984199.db2.gz MAPNYYBVTUGTJC-LBPRGKRZSA-N -1 3 371.808 3.188 20 0 FGADHM O=C(C[C@H]1CCCN1C(=O)c1cc2c(cc1[O-])OCO2)c1cccs1 ZINC000436571114 714026710 /nfs/dbraw/zinc/02/67/10/714026710.db2.gz ABIWYIYMLAOOAN-LLVKDONJSA-N -1 3 359.403 3.060 20 0 FGADHM CN(Cc1cccc(Br)c1)C(=O)c1cc2c(cc1[O-])OCO2 ZINC000436757591 714027237 /nfs/dbraw/zinc/02/72/37/714027237.db2.gz JGSLSSJKRSWOTD-UHFFFAOYSA-N -1 3 364.195 3.156 20 0 FGADHM COc1cc(NC(=O)c2cc3c(cc2[O-])OCO3)c(OC)cc1Cl ZINC000436752481 714027245 /nfs/dbraw/zinc/02/72/45/714027245.db2.gz BHXAJGKRVUAPNS-UHFFFAOYSA-N -1 3 351.742 3.044 20 0 FGADHM CC(C)(C)OCC[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000524312485 714277707 /nfs/dbraw/zinc/27/77/07/714277707.db2.gz UQMACYIIUMBJNI-UHFFFAOYSA-N -1 3 370.696 3.196 20 0 FGADHM Cc1[n-][nH]c(=O)c1CCNc1ncnc2scc(-c3ccccc3)c21 ZINC000524368000 714280565 /nfs/dbraw/zinc/28/05/65/714280565.db2.gz KLMXOYNMIZHCGJ-ZDUSSCGKSA-N -1 3 351.435 3.282 20 0 FGADHM CCC(CC)c1cc(C[N-]S(=O)(=O)c2c(C)nn(C(C)C)c2C)on1 ZINC000525699140 714369277 /nfs/dbraw/zinc/36/92/77/714369277.db2.gz PCTOFRMSSQXUDR-UHFFFAOYSA-N -1 3 368.503 3.451 20 0 FGADHM Cc1nccc([N-]S(=O)(=O)c2ccccc2Cl)c1Br ZINC000525870719 714384923 /nfs/dbraw/zinc/38/49/23/714384923.db2.gz FURBPSPLKHFTLQ-UHFFFAOYSA-N -1 3 361.648 3.029 20 0 FGADHM C[C@@H]1C[C@H]1c1ccc(C[N-]S(=O)(=O)c2cnccc2C(F)(F)F)o1 ZINC000526946281 714413903 /nfs/dbraw/zinc/41/39/03/714413903.db2.gz QXABFAZONVPMFN-MWLCHTKSSA-N -1 3 360.357 3.295 20 0 FGADHM CC[C@H](C)CCNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000617637404 714677760 /nfs/dbraw/zinc/67/77/60/714677760.db2.gz VKIYNTIOIPFGAE-JTQLQIEISA-N -1 3 351.244 3.457 20 0 FGADHM CCOC(=O)c1ncc(NC(=O)[C@@H](C)CC(=O)c2ccc(Cl)cc2)[n-]1 ZINC000619449517 714836691 /nfs/dbraw/zinc/83/66/91/714836691.db2.gz LABSTMFEXLNUFK-JTQLQIEISA-N -1 3 363.801 3.087 20 0 FGADHM CCOC(=O)c1nc(NC(=O)[C@@H](C)CC(=O)c2ccc(Cl)cc2)c[n-]1 ZINC000619449517 714836695 /nfs/dbraw/zinc/83/66/95/714836695.db2.gz LABSTMFEXLNUFK-JTQLQIEISA-N -1 3 363.801 3.087 20 0 FGADHM CCOC(=O)c1ncc(NC(=O)[C@@H](C)c2ccccc2C(F)(F)F)[n-]1 ZINC000619448300 714836800 /nfs/dbraw/zinc/83/68/00/714836800.db2.gz LKWIVUFBZSYUBM-VIFPVBQESA-N -1 3 355.316 3.347 20 0 FGADHM CCOC(=O)c1nc(NC(=O)[C@@H](C)c2ccccc2C(F)(F)F)c[n-]1 ZINC000619448300 714836801 /nfs/dbraw/zinc/83/68/01/714836801.db2.gz LKWIVUFBZSYUBM-VIFPVBQESA-N -1 3 355.316 3.347 20 0 FGADHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc(N(C)C(C)=O)cc2)cc1 ZINC000620877570 714947481 /nfs/dbraw/zinc/94/74/81/714947481.db2.gz SVRDXPJUFCEGMD-UHFFFAOYSA-N -1 3 362.451 3.259 20 0 FGADHM Cc1nn(C)c(S(=O)(=O)[N-][C@H](C(F)F)C2CCCCC2)c1C(F)F ZINC000621322732 714981126 /nfs/dbraw/zinc/98/11/26/714981126.db2.gz GCKQAMNZLHCUJD-NSHDSACASA-N -1 3 371.400 3.158 20 0 FGADHM C[C@@H]1CCN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)C[C@H]1CO ZINC000621367670 714985767 /nfs/dbraw/zinc/98/57/67/714985767.db2.gz CKGPFDROTNTNTA-NEPJUHHUSA-N -1 3 359.451 3.107 20 0 FGADHM C[C@@H]1CCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)C[C@@H]1n1ccnc1 ZINC000621912179 715035974 /nfs/dbraw/zinc/03/59/74/715035974.db2.gz BMOFLCDFNWTOSE-ABAIWWIYSA-N -1 3 353.344 3.331 20 0 FGADHM Cn1ncc(C2CCC2)c1CNC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622176487 715058899 /nfs/dbraw/zinc/05/88/99/715058899.db2.gz VVVYIBAWCNWALG-UHFFFAOYSA-N -1 3 353.344 3.342 20 0 FGADHM CC(C)(C)n1nnc(C(=O)[N-]c2nc3c(cccc3C(F)(F)F)s2)n1 ZINC000622772364 715090295 /nfs/dbraw/zinc/09/02/95/715090295.db2.gz NFSXRXCEJJQOQD-UHFFFAOYSA-N -1 3 370.360 3.309 20 0 FGADHM C[C@@H]1Cc2cc(C(=O)N=c3[n-]n(CC(F)(F)F)cc3Cl)ccc2O1 ZINC000622887791 715103436 /nfs/dbraw/zinc/10/34/36/715103436.db2.gz IDJSZMIOUJCCSF-MRVPVSSYSA-N -1 3 359.735 3.096 20 0 FGADHM O=C(N=c1cc(-c2cccc(Cl)c2)[n-][nH]1)[C@H]1COc2ccccc2C1 ZINC000622893575 715104110 /nfs/dbraw/zinc/10/41/10/715104110.db2.gz VTBAZGPFBREWMC-CQSZACIVSA-N -1 3 353.809 3.342 20 0 FGADHM CCC(F)(F)C(C)(C)CS(=O)(=O)[N-]Cc1noc(-c2ccccc2)n1 ZINC000624916503 715622915 /nfs/dbraw/zinc/62/29/15/715622915.db2.gz CVTBNQZSQPSJDR-UHFFFAOYSA-N -1 3 373.425 3.228 20 0 FGADHM O=c1nc(CN2CC[C@@H]3CC[C@@H](O)[C@@H]32)[n-]c2scc(-c3ccco3)c21 ZINC000626138658 715857711 /nfs/dbraw/zinc/85/77/11/715857711.db2.gz DJUASYKTOVXQPI-KANYHAFZSA-N -1 3 357.435 3.002 20 0 FGADHM Cn1ncc(C(F)(F)F)c1CNC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000628354695 716145616 /nfs/dbraw/zinc/14/56/16/716145616.db2.gz STFRZRORJZRWIS-UHFFFAOYSA-N -1 3 367.249 3.093 20 0 FGADHM O=C(NC[C@@H]1Cc2ccccc2CO1)c1cc([O-])cc(C(F)(F)F)c1 ZINC000628359953 716147156 /nfs/dbraw/zinc/14/71/56/716147156.db2.gz ZTOUCAHKROUJLZ-INIZCTEOSA-N -1 3 351.324 3.282 20 0 FGADHM CO[C@H](Cc1ccc(F)cc1)CS(=O)(=O)[N-]c1cccc(C(C)=O)c1 ZINC000629283687 716250435 /nfs/dbraw/zinc/25/04/35/716250435.db2.gz XOZGQKBFBOJWQQ-GOSISDBHSA-N -1 3 365.426 3.028 20 0 FGADHM CCOC1(CS(=O)(=O)[N-]c2cccc(OCC(C)C)c2)CCOCC1 ZINC000629287295 716252294 /nfs/dbraw/zinc/25/22/94/716252294.db2.gz IUKADTLBKIKJME-UHFFFAOYSA-N -1 3 371.499 3.049 20 0 FGADHM CCOc1ccc([N-]S(=O)(=O)C[C@H](OC)c2ccc(F)cc2)cc1F ZINC000629287845 716252549 /nfs/dbraw/zinc/25/25/49/716252549.db2.gz ZTXJKBLHGOSEAP-KRWDZBQOSA-N -1 3 371.405 3.493 20 0 FGADHM CCO[C@@H](CS(=O)(=O)[N-]c1cc(F)ccc1Br)C1CC1 ZINC000629290222 716254098 /nfs/dbraw/zinc/25/40/98/716254098.db2.gz QXASKVZRDVJOBZ-ZDUSSCGKSA-N -1 3 366.252 3.145 20 0 FGADHM CCO[C@H](CS(=O)(=O)[N-]c1cc(F)ccc1Br)C1CC1 ZINC000629290221 716254208 /nfs/dbraw/zinc/25/42/08/716254208.db2.gz QXASKVZRDVJOBZ-CYBMUJFWSA-N -1 3 366.252 3.145 20 0 FGADHM CC(C)C[C@@H](C(=O)[O-])N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000629484808 716296407 /nfs/dbraw/zinc/29/64/07/716296407.db2.gz ZFRUIUZENHCKQK-AWEZNQCLSA-N -1 3 373.280 3.251 20 0 FGADHM CCO[C@H](C(=O)N=c1cc(-c2cc(Cl)ccc2OC)[n-][nH]1)C(C)C ZINC000629955318 716369854 /nfs/dbraw/zinc/36/98/54/716369854.db2.gz VULMHSNJKYMVES-INIZCTEOSA-N -1 3 351.834 3.160 20 0 FGADHM Cc1cc(Br)c(CN[C@@H](C(=O)[O-])[C@@H]2CCCO2)cc1Cl ZINC000630464849 716460552 /nfs/dbraw/zinc/46/05/52/716460552.db2.gz AARQHYVWVXJYPR-QWHCGFSZSA-N -1 3 362.651 3.133 20 0 FGADHM O=S(=O)([N-]C[C@@H](c1ccccc1)N1CCCC1)c1ccc(C(F)F)o1 ZINC000631658944 716655287 /nfs/dbraw/zinc/65/52/87/716655287.db2.gz JFXOVKYNDQPVLH-AWEZNQCLSA-N -1 3 370.421 3.333 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1c[nH]c(=O)s1)C1(c2ccccc2)CCCC1 ZINC000632234674 716749189 /nfs/dbraw/zinc/74/91/89/716749189.db2.gz COGMSQYQHGSROK-LBPRGKRZSA-N -1 3 352.481 3.028 20 0 FGADHM O=S(=O)([N-]C[C@@H]1CCCC1(F)F)c1cscc1Br ZINC000632410925 716771290 /nfs/dbraw/zinc/77/12/90/716771290.db2.gz QDMHZRIJMUDGAB-ZETCQYMHSA-N -1 3 360.245 3.224 20 0 FGADHM O=c1[nH]cc(S(=O)(=O)[N-]CCCc2c(Cl)cccc2Cl)s1 ZINC000632538142 716786756 /nfs/dbraw/zinc/78/67/56/716786756.db2.gz FXKKYKRCJKGUMC-UHFFFAOYSA-N -1 3 367.279 3.067 20 0 FGADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)c2ccc(Br)c(C)c2)n1 ZINC000636110101 717232165 /nfs/dbraw/zinc/23/21/65/717232165.db2.gz JFCPPMNQNOTSHQ-UHFFFAOYSA-N -1 3 364.243 3.227 20 0 FGADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)CC1(CSc3ccccc3)CC1)C2 ZINC000636285038 717257261 /nfs/dbraw/zinc/25/72/61/717257261.db2.gz DVNOQGMPOHGOHX-UHFFFAOYSA-N -1 3 355.463 3.295 20 0 FGADHM O=C(CCOc1cccc(Cl)c1)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000636318896 717261671 /nfs/dbraw/zinc/26/16/71/717261671.db2.gz IPNRTCFBGWJHCM-UHFFFAOYSA-N -1 3 361.829 3.188 20 0 FGADHM O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)c1ccc(F)c(Cl)c1F ZINC000636320227 717262623 /nfs/dbraw/zinc/26/26/23/717262623.db2.gz JWSHMIMHOONHSD-UHFFFAOYSA-N -1 3 353.756 3.311 20 0 FGADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(Cc2ccns2)CC1 ZINC000637947472 717393255 /nfs/dbraw/zinc/39/32/55/717393255.db2.gz YVLMRFCGWPWSDH-UHFFFAOYSA-N -1 3 351.859 3.353 20 0 FGADHM CCCn1c(=O)[n-]nc1S[C@H](C(=O)N[C@H]1CCCC[C@H]1C)C(C)C ZINC000639400371 717552914 /nfs/dbraw/zinc/55/29/14/717552914.db2.gz PZJFDXRGISLOBC-RDBSUJKOSA-N -1 3 354.520 3.205 20 0 FGADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)N[C@H]1C[C@H]1Cc1ccccc1 ZINC000640291986 717712724 /nfs/dbraw/zinc/71/27/24/717712724.db2.gz HGAXUVAUEZSDMO-YPMHNXCESA-N -1 3 372.778 3.273 20 0 FGADHM C[C@@]1(c2ccccc2)C[C@@H]1NC(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000640293974 717715076 /nfs/dbraw/zinc/71/50/76/717715076.db2.gz ZIWVKGGFJKRIKX-WFASDCNBSA-N -1 3 372.778 3.372 20 0 FGADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)NC[C@H]1CCCC12CC2 ZINC000640301037 717717866 /nfs/dbraw/zinc/71/78/66/717717866.db2.gz XZZYUAGTBBSCLL-SECBINFHSA-N -1 3 350.772 3.223 20 0 FGADHM Cn1cc(Br)c(=NC(=O)N[C@@H]2CCc3cc(Cl)ccc32)[n-]1 ZINC000640307875 717719891 /nfs/dbraw/zinc/71/98/91/717719891.db2.gz AGISBMTXOASMGM-GFCCVEGCSA-N -1 3 369.650 3.067 20 0 FGADHM COc1ccc(-c2cn(Cc3cc(=O)[n-]c(C4CC4)n3)nn2)c(Cl)c1 ZINC000641048512 717849126 /nfs/dbraw/zinc/84/91/26/717849126.db2.gz QNGUWMJZFRABMO-UHFFFAOYSA-N -1 3 357.801 3.028 20 0 FGADHM CC[C@](C)([N-]S(=O)(=O)c1ncccc1C(F)(F)F)c1nccs1 ZINC000645559228 718223087 /nfs/dbraw/zinc/22/30/87/718223087.db2.gz YXOLJZYFBYETBT-LBPRGKRZSA-N -1 3 365.402 3.161 20 0 FGADHM CN[C@H](CC(C)(C)C)C(=O)N=c1cc(-c2cc(Cl)ccc2OC)[n-][nH]1 ZINC000645847686 718246306 /nfs/dbraw/zinc/24/63/06/718246306.db2.gz SCZANXXYWJHZFY-CQSZACIVSA-N -1 3 364.877 3.123 20 0 FGADHM C[C@@H](NC(=O)c1sccc1C1CC1)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000646201580 718270494 /nfs/dbraw/zinc/27/04/94/718270494.db2.gz XXAYWLLCOGODMI-GHMZBOCLSA-N -1 3 359.451 3.119 20 0 FGADHM CNC(=O)Nc1cccc(NC(=O)c2cc([O-])cc(C(F)(F)F)c2)c1 ZINC000646629834 718302483 /nfs/dbraw/zinc/30/24/83/718302483.db2.gz DDLAFEQGNSLGHN-UHFFFAOYSA-N -1 3 353.300 3.415 20 0 FGADHM CC(=O)Nc1cccc(CNC(=O)c2cc([O-])cc(C(F)(F)F)c2)c1 ZINC000646680005 718305431 /nfs/dbraw/zinc/30/54/31/718305431.db2.gz LNGIHKPOAJXDNC-UHFFFAOYSA-N -1 3 352.312 3.299 20 0 FGADHM O=C(Nc1cc(Br)ccc1[O-])c1ncoc1C(F)(F)F ZINC000646898445 718320339 /nfs/dbraw/zinc/32/03/39/718320339.db2.gz VGEPLTLADITXJL-UHFFFAOYSA-N -1 3 351.078 3.414 20 0 FGADHM O=c1[n-]c(SCCC[C@H]2CCOC2)nc2c1cnn2-c1ccccc1 ZINC000647113864 718331614 /nfs/dbraw/zinc/33/16/14/718331614.db2.gz KDIASXGHFPVIHL-ZDUSSCGKSA-N -1 3 356.451 3.430 20 0 FGADHM O=S(=O)(CCCC1CCOCC1)[N-]c1cnc(-c2ccccc2)nc1 ZINC000647272403 718345508 /nfs/dbraw/zinc/34/55/08/718345508.db2.gz OJWQBMCBQOACLF-UHFFFAOYSA-N -1 3 361.467 3.092 20 0 FGADHM O=C(Cc1cccc(OC(F)(F)F)c1)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000647803237 718378825 /nfs/dbraw/zinc/37/88/25/718378825.db2.gz HEBLBCLIBYUSAH-UHFFFAOYSA-N -1 3 351.284 3.348 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1c[nH]nc1C(F)(F)F)c1cc2ccccc2o1 ZINC000647892765 718383950 /nfs/dbraw/zinc/38/39/50/718383950.db2.gz UHZGPJVLROXYMQ-MRVPVSSYSA-N -1 3 359.329 3.214 20 0 FGADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)c1scnc1C1CC1 ZINC000648431949 718425960 /nfs/dbraw/zinc/42/59/60/718425960.db2.gz KNRZGWQTPQOWQT-UHFFFAOYSA-N -1 3 350.753 3.107 20 0 FGADHM Cc1cc2c(cc1C)O[C@H](C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl)C2 ZINC000648432879 718426327 /nfs/dbraw/zinc/42/63/27/718426327.db2.gz KXXNVNUHSIGCLB-ZDUSSCGKSA-N -1 3 373.762 3.080 20 0 FGADHM C[C@@H](Oc1ccccc1F)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000648433842 718426561 /nfs/dbraw/zinc/42/65/61/718426561.db2.gz QNPPUVJJLBXLSO-MRVPVSSYSA-N -1 3 365.714 3.066 20 0 FGADHM O=C1Cc2cc(S(=O)(=O)[N-]c3ccc4c(c3)CCCCC4)ccc2N1 ZINC000650218133 718643236 /nfs/dbraw/zinc/64/32/36/718643236.db2.gz RSBQFBBRGHRGIJ-UHFFFAOYSA-N -1 3 356.447 3.251 20 0 FGADHM O=C(Oc1ccc2c(c1)NC(=O)CC2)c1cccc(Br)c1[O-] ZINC000781155921 724532961 /nfs/dbraw/zinc/53/29/61/724532961.db2.gz KVILYHWTANSVRC-UHFFFAOYSA-N -1 3 362.179 3.259 20 0 FGADHM Cc1cc(Br)sc1S(=O)(=O)[N-]Cc1ccoc1C ZINC000651529455 718826246 /nfs/dbraw/zinc/82/62/46/718826246.db2.gz LTIQZTWJFANIND-UHFFFAOYSA-N -1 3 350.259 3.199 20 0 FGADHM O=S(=O)(Cc1cc(Cl)sc1Cl)[N-][C@@H](CCO)c1ccco1 ZINC000651646431 718845680 /nfs/dbraw/zinc/84/56/80/718845680.db2.gz CTTUMKPAODKTHU-VIFPVBQESA-N -1 3 370.279 3.191 20 0 FGADHM COC1([C@H](C)[N-]S(=O)(=O)c2sc(Br)cc2C)CCC1 ZINC000651741923 718859311 /nfs/dbraw/zinc/85/93/11/718859311.db2.gz YLSIJPOTRUALTL-VIFPVBQESA-N -1 3 368.318 3.055 20 0 FGADHM C[C@H](COCC1CC1)[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000651885902 718884056 /nfs/dbraw/zinc/88/40/56/718884056.db2.gz AEKOJJXDBMLSGK-SECBINFHSA-N -1 3 371.808 3.452 20 0 FGADHM O=C([O-])[C@@]1(c2ccccc2)CCN(Cc2cn3cc(Cl)ccc3n2)C1 ZINC000652501755 718952280 /nfs/dbraw/zinc/95/22/80/718952280.db2.gz MOVGSKMSIZCWQH-IBGZPJMESA-N -1 3 355.825 3.216 20 0 FGADHM COc1ccccc1C(C)(C)C[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000804972616 724570103 /nfs/dbraw/zinc/57/01/03/724570103.db2.gz HXZUANWNAFSEES-UHFFFAOYSA-N -1 3 372.849 3.139 20 0 FGADHM COc1ccc(C)cc1S(=O)(=O)[N-][C@H](c1ccc(C)o1)C(F)(F)F ZINC000655660485 719320345 /nfs/dbraw/zinc/32/03/45/719320345.db2.gz DZUZJNWOYAMRME-CQSZACIVSA-N -1 3 363.357 3.487 20 0 FGADHM Cc1cc(S(=O)(=O)[N-][C@@H](C[C@H]2CCCO2)C(F)(F)F)cc(C)c1F ZINC000655661500 719320731 /nfs/dbraw/zinc/32/07/31/719320731.db2.gz FIBWOEFBRPMUBP-YPMHNXCESA-N -1 3 369.380 3.221 20 0 FGADHM CO[C@H](CS(=O)(=O)[N-]c1cc(Cl)c(C)c(Cl)c1)[C@H]1CCOC1 ZINC000656619733 719421389 /nfs/dbraw/zinc/42/13/89/719421389.db2.gz TUXRNRDKKGCSKH-IINYFYTJSA-N -1 3 368.282 3.095 20 0 FGADHM CO[C@@H](CS(=O)(=O)[N-]c1cc2c[nH]nc2cc1C)C1CCCCC1 ZINC000656732937 719455185 /nfs/dbraw/zinc/45/51/85/719455185.db2.gz CJJDKSPAMCRVTC-KRWDZBQOSA-N -1 3 351.472 3.208 20 0 FGADHM C[C@@]12COC[C@]1(C)CN(Cc1c(Br)cccc1C(=O)[O-])C2 ZINC000656761595 719465699 /nfs/dbraw/zinc/46/56/99/719465699.db2.gz SAALYAUKFUVUEL-IYBDPMFKSA-N -1 3 354.244 3.006 20 0 FGADHM COc1cc(F)c(Br)cc1S(=O)(=O)[N-]CCC(C)(C)F ZINC000657143010 719574110 /nfs/dbraw/zinc/57/41/10/719574110.db2.gz KDTJRUBWYGRBMW-UHFFFAOYSA-N -1 3 372.231 3.013 20 0 FGADHM C[C@@]1(C[N-]S(=O)(=O)c2cccc(Cl)c2Br)CC1(F)F ZINC000657158013 719578870 /nfs/dbraw/zinc/57/88/70/719578870.db2.gz ZCHCDWRGXHUNJG-JTQLQIEISA-N -1 3 374.634 3.426 20 0 FGADHM CO[C@@H]1CCC[C@@H]1Sc1nc2c(cnn2Cc2ccccc2)c(=O)[n-]1 ZINC000657283952 719617199 /nfs/dbraw/zinc/61/71/99/719617199.db2.gz IUQDMMVSJBZXCY-CABCVRRESA-N -1 3 356.451 3.240 20 0 FGADHM CC(C)[C@@H]1CN([C@@H](C(=O)[O-])c2ccccc2Br)CCCO1 ZINC000659795775 719936851 /nfs/dbraw/zinc/93/68/51/719936851.db2.gz NXWJVKXYZIYZTF-LSDHHAIUSA-N -1 3 356.260 3.322 20 0 FGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H]2CCOC2(C)C)c1Cl ZINC000660095801 719988331 /nfs/dbraw/zinc/98/83/31/719988331.db2.gz RYNUYTQCYGJZMO-SNVBAGLBSA-N -1 3 352.283 3.395 20 0 FGADHM O=c1cc(CN[C@@H](CO)c2cccc(Cl)c2Cl)nc(C2CC2)[n-]1 ZINC000662050517 720365153 /nfs/dbraw/zinc/36/51/53/720365153.db2.gz GSDHQXPUVMQEPR-ZDUSSCGKSA-N -1 3 354.237 3.190 20 0 FGADHM C[C@H]1CN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)C[C@@]1(C)CO ZINC000662140139 720381845 /nfs/dbraw/zinc/38/18/45/720381845.db2.gz FZUGPBBIOACPLD-VOJFVSQTSA-N -1 3 359.451 3.107 20 0 FGADHM CCCc1cc(=O)[n-]c(C(=Cc2cccc(NS(C)(=O)=O)c2)CC)n1 ZINC000663225321 720487872 /nfs/dbraw/zinc/48/78/72/720487872.db2.gz DWQNYJUASVJCES-GXDHUFHOSA-N -1 3 361.467 3.045 20 0 FGADHM Cn1nccc1[C@@H]1OCCC[C@H]1C=Cc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000663231565 720489356 /nfs/dbraw/zinc/48/93/56/720489356.db2.gz LHCYBVLQMFKDJI-LQRZNIRHSA-N -1 3 354.332 3.116 20 0 FGADHM CCOc1cc([C@@H]2NC(=O)[C@H]3c4ccccc4CCN23)cc(Cl)c1[O-] ZINC000666180618 720901138 /nfs/dbraw/zinc/90/11/38/720901138.db2.gz OKUWVBDVFGPSMA-SJLPKXTDSA-N -1 3 358.825 3.172 20 0 FGADHM Cc1ccsc1CCCC(=O)[N-]OC[C@@H](C)NC(=O)OC(C)(C)C ZINC000783660717 724775814 /nfs/dbraw/zinc/77/58/14/724775814.db2.gz MMTVMSNKRYLOJM-CYBMUJFWSA-N -1 3 356.488 3.340 20 0 FGADHM CCOc1c(OC)cc(CN[C@H](CC(=O)[O-])c2cccs2)cc1OC ZINC000671162155 721569620 /nfs/dbraw/zinc/56/96/20/721569620.db2.gz MYOZOOAIFPEVSY-CYBMUJFWSA-N -1 3 365.451 3.470 20 0 FGADHM C[C@@H]1C[C@H]1[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000671188310 721573158 /nfs/dbraw/zinc/57/31/58/721573158.db2.gz WNUMLZRATXLZAJ-HZGVNTEJSA-N -1 3 358.179 3.155 20 0 FGADHM O=S(=O)([N-][C@@H](CCO)c1ccc(Cl)cc1)c1ccc(F)cc1F ZINC000672426029 721633243 /nfs/dbraw/zinc/63/32/43/721633243.db2.gz SHGWCPOELROUNC-AWEZNQCLSA-N -1 3 361.797 3.020 20 0 FGADHM O=C(CCCc1ccc([O-])c(F)c1)NC[C@H](CO)c1ccc(Cl)cc1 ZINC000673372166 721660057 /nfs/dbraw/zinc/66/00/57/721660057.db2.gz YGGAAFJLJCYHPZ-OAHLLOKOSA-N -1 3 365.832 3.400 20 0 FGADHM O=S(=O)(Cc1c(F)cccc1F)[N-][C@@H]1COc2c1cccc2Cl ZINC000678037090 721934758 /nfs/dbraw/zinc/93/47/58/721934758.db2.gz HGHZBTZMADQFGY-CQSZACIVSA-N -1 3 359.781 3.171 20 0 FGADHM CCC1(O)CCC([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)CC1 ZINC000678494426 721960860 /nfs/dbraw/zinc/96/08/60/721960860.db2.gz UVJRWQIQHUHGSG-UHFFFAOYSA-N -1 3 369.380 3.207 20 0 FGADHM CCC1(O)CCC([N-]S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000678493592 721960938 /nfs/dbraw/zinc/96/09/38/721960938.db2.gz NPMUDHRFVMJZJT-UHFFFAOYSA-N -1 3 352.283 3.355 20 0 FGADHM O=C(c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)N1CC=CCC1 ZINC000679300716 722020778 /nfs/dbraw/zinc/02/07/78/722020778.db2.gz NBQSQJBZTPMQSH-UHFFFAOYSA-N -1 3 360.410 3.029 20 0 FGADHM COc1cccc2cc(C(=O)[N-]c3nnc(-c4c[nH]nc4C)s3)oc21 ZINC000682013067 722231288 /nfs/dbraw/zinc/23/12/88/722231288.db2.gz HMUZQZRVYUZXLE-UHFFFAOYSA-N -1 3 355.379 3.244 20 0 FGADHM CC(=O)Nc1ccc(S(=O)(=O)[N-][C@H](CC(F)(F)F)C(C)C)c(F)c1 ZINC000682084498 722236404 /nfs/dbraw/zinc/23/64/04/722236404.db2.gz MUDBEYBXAUSCML-GFCCVEGCSA-N -1 3 370.368 3.039 20 0 FGADHM CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc(N3CCC3=O)cc2)cc1 ZINC000685002417 722370752 /nfs/dbraw/zinc/37/07/52/722370752.db2.gz PDQXVDXYFMKMLQ-UHFFFAOYSA-N -1 3 360.435 3.011 20 0 FGADHM CCN1C[C@@H](CN(C)C(=O)c2cc([O-])ccc2Cl)Oc2ccccc21 ZINC000685571861 722391068 /nfs/dbraw/zinc/39/10/68/722391068.db2.gz GIRLSIGGSJQNCY-CQSZACIVSA-N -1 3 360.841 3.405 20 0 FGADHM CCCCC[N-]S(=O)(=O)c1cc(Br)cc(F)c1OC ZINC000730808125 722470999 /nfs/dbraw/zinc/47/09/99/722470999.db2.gz HYPDSIZKFFIYJJ-UHFFFAOYSA-N -1 3 354.241 3.065 20 0 FGADHM C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)c1cccc(Br)c1[O-] ZINC000730365602 722467940 /nfs/dbraw/zinc/46/79/40/722467940.db2.gz VKTGKYHUQFGTHX-MFKMUULPSA-N -1 3 370.243 3.006 20 0 FGADHM CCC[C@H](CC)[N-]S(=O)(=O)c1cc(Br)cc(F)c1OC ZINC000730811973 722471069 /nfs/dbraw/zinc/47/10/69/722471069.db2.gz QUMGIPGUIASDJJ-JTQLQIEISA-N -1 3 368.268 3.454 20 0 FGADHM O=C(COC(=O)CCCCCc1cccs1)[N-]C(=O)c1cccs1 ZINC000731527703 722476162 /nfs/dbraw/zinc/47/61/62/722476162.db2.gz MOBGCQAGUYLYKQ-UHFFFAOYSA-N -1 3 365.476 3.412 20 0 FGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CC[C@@H](C)C[C@@H]2C)ccc1F ZINC000733113938 722492875 /nfs/dbraw/zinc/49/28/75/722492875.db2.gz KOBMMSKSXPLKML-DVOMOZLQSA-N -1 3 370.490 3.067 20 0 FGADHM COC(=O)c1cc(Cl)cc(NC(=O)c2c[n-]c3ccccc3c2=O)c1 ZINC000736258334 722522437 /nfs/dbraw/zinc/52/24/37/722522437.db2.gz LDFIVVRIRBNRMI-UHFFFAOYSA-N -1 3 356.765 3.220 20 0 FGADHM C[C@@H]1Cc2ccccc2CN1C(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000736296240 722522597 /nfs/dbraw/zinc/52/25/97/722522597.db2.gz GWXYEDCVMCGVTG-GFCCVEGCSA-N -1 3 350.451 3.010 20 0 FGADHM C[C@@H]1Cc2ccccc2CN1C(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000736296240 722522598 /nfs/dbraw/zinc/52/25/98/722522598.db2.gz GWXYEDCVMCGVTG-GFCCVEGCSA-N -1 3 350.451 3.010 20 0 FGADHM O=C(OCc1cc(=O)c([O-])co1)c1cc(Cl)ccc1Br ZINC000736773285 722524493 /nfs/dbraw/zinc/52/44/93/722524493.db2.gz YRFTVXPYMZPVNO-UHFFFAOYSA-N -1 3 359.559 3.118 20 0 FGADHM COc1ccc(C(=O)Nc2sc(C)c(C)c2-c2nnn[n-]2)c(Cl)c1 ZINC000737071211 722525947 /nfs/dbraw/zinc/52/59/47/722525947.db2.gz GCMJLSGHHNAMGT-UHFFFAOYSA-N -1 3 363.830 3.459 20 0 FGADHM COc1ccc(C(=O)Nc2sc(C)c(C)c2-c2nn[n-]n2)c(Cl)c1 ZINC000737071211 722525948 /nfs/dbraw/zinc/52/59/48/722525948.db2.gz GCMJLSGHHNAMGT-UHFFFAOYSA-N -1 3 363.830 3.459 20 0 FGADHM COc1ccc(C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000737070747 722525994 /nfs/dbraw/zinc/52/59/94/722525994.db2.gz CDXOWQXNCPYHMM-UHFFFAOYSA-N -1 3 364.192 3.434 20 0 FGADHM COc1ccc(C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000737070747 722525995 /nfs/dbraw/zinc/52/59/95/722525995.db2.gz CDXOWQXNCPYHMM-UHFFFAOYSA-N -1 3 364.192 3.434 20 0 FGADHM C[C@H]1CCCC[C@H]1OCC[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000738354447 722529862 /nfs/dbraw/zinc/52/98/62/722529862.db2.gz OPEVFMDSVMBCFL-GXFFZTMASA-N -1 3 367.298 3.262 20 0 FGADHM O=S(=O)([N-][C@H]1CCCOc2ccc(F)cc21)c1cccnc1Cl ZINC000738364626 722529961 /nfs/dbraw/zinc/52/99/61/722529961.db2.gz UCYWREGYLATHKV-LBPRGKRZSA-N -1 3 356.806 3.066 20 0 FGADHM O=S(=O)([N-][C@@H](c1ccccc1)c1ccncc1)c1cccnc1Cl ZINC000738364730 722529992 /nfs/dbraw/zinc/52/99/92/722529992.db2.gz CFKOKKSJYPGVIM-INIZCTEOSA-N -1 3 359.838 3.198 20 0 FGADHM O=S(=O)([N-][C@H](c1ccccc1)C1CCOCC1)c1cccnc1Cl ZINC000738381515 722530198 /nfs/dbraw/zinc/53/01/98/722530198.db2.gz QTQCCCWRZRILIH-MRXNPFEDSA-N -1 3 366.870 3.181 20 0 FGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)NCCCC(C)(C)C)ccc1F ZINC000739783404 722533943 /nfs/dbraw/zinc/53/39/43/722533943.db2.gz YRGMGYKNBXBVEL-UHFFFAOYSA-N -1 3 358.479 3.069 20 0 FGADHM O=C([N-]Cc1noc(-c2cccs2)n1)C(F)(F)c1ccc(F)cc1 ZINC000745061453 722582715 /nfs/dbraw/zinc/58/27/15/722582715.db2.gz LYKRJCIOWZOLIK-UHFFFAOYSA-N -1 3 353.325 3.345 20 0 FGADHM COC(=O)Nc1ccc(C(=O)OCCO[C@H]2CCCC[C@H]2C)cc1[O-] ZINC000745653643 722589164 /nfs/dbraw/zinc/58/91/64/722589164.db2.gz RXCNKNNQDQWMIT-WBMJQRKESA-N -1 3 351.399 3.323 20 0 FGADHM CN(Cc1cccs1)C(=O)COC(=O)c1cc(F)cc(Cl)c1[O-] ZINC000748476497 722693039 /nfs/dbraw/zinc/69/30/39/722693039.db2.gz PRXLWFXLMSGXRV-UHFFFAOYSA-N -1 3 357.790 3.062 20 0 FGADHM O=C(Nc1cc(F)ccc1[O-])c1nc(NCc2ccco2)ncc1Cl ZINC000748854395 722706648 /nfs/dbraw/zinc/70/66/48/722706648.db2.gz SEGNQBDDDDLSDW-UHFFFAOYSA-N -1 3 362.748 3.432 20 0 FGADHM CCCC[C@H](CCC)[N-]S(=O)(=O)c1ccc(F)c(C(=O)OC)c1F ZINC000749182746 722719329 /nfs/dbraw/zinc/71/93/29/722719329.db2.gz IPIUAOKSUPVTKK-NSHDSACASA-N -1 3 363.426 3.389 20 0 FGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCCC2(C)C)ccc1F ZINC000750140547 722755606 /nfs/dbraw/zinc/75/56/06/722755606.db2.gz WRTYNBALFFNHFP-HNNXBMFYSA-N -1 3 370.490 3.211 20 0 FGADHM Cc1cnc(C(C)(C)[N-]C(=O)C(F)(F)Oc2ccc(C=O)cc2)s1 ZINC000751053685 722792938 /nfs/dbraw/zinc/79/29/38/722792938.db2.gz SCGLOONYTPEMLW-UHFFFAOYSA-N -1 3 354.378 3.287 20 0 FGADHM COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-]CCCCC(C)(C)C ZINC000751075259 722793682 /nfs/dbraw/zinc/79/36/82/722793682.db2.gz MMELBUQRFBZPLP-UHFFFAOYSA-N -1 3 362.879 3.016 20 0 FGADHM COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-][C@H]1CCC[C@H](C(C)C)C1 ZINC000751075300 722793749 /nfs/dbraw/zinc/79/37/49/722793749.db2.gz OMDDGPFXBQTLJN-RYUDHWBXSA-N -1 3 374.890 3.015 20 0 FGADHM O=S(=O)(/C=C/c1ccc(Cl)cc1)[N-][C@H](CO)c1c(F)cccc1F ZINC000751425243 722805366 /nfs/dbraw/zinc/80/53/66/722805366.db2.gz XRFDMJRNMJVFLO-XVJNWHFHSA-N -1 3 373.808 3.242 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1ccccc1C=O)c1ncc(-c2ccccc2)o1 ZINC000751428083 722805552 /nfs/dbraw/zinc/80/55/52/722805552.db2.gz ACWYDVPDWAXQTM-CYBMUJFWSA-N -1 3 356.403 3.194 20 0 FGADHM O=S(=O)([N-][C@@H](CCO)c1cccs1)c1cc(Cl)ccc1Cl ZINC000751434329 722805787 /nfs/dbraw/zinc/80/57/87/722805787.db2.gz FRYAOIBZZMMIHT-NSHDSACASA-N -1 3 366.291 3.457 20 0 FGADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H](CCO)c1cccs1 ZINC000751434740 722806117 /nfs/dbraw/zinc/80/61/17/722806117.db2.gz GTEWXGZODCJPNX-CYBMUJFWSA-N -1 3 369.439 3.344 20 0 FGADHM CC[C@H](C[N-]S(=O)(=O)c1cccnc1Cl)Oc1ccccc1C ZINC000751985713 722839527 /nfs/dbraw/zinc/83/95/27/722839527.db2.gz FKMYMSDSSPEEMR-CYBMUJFWSA-N -1 3 354.859 3.179 20 0 FGADHM O=C1[N-]C(=O)C(=CNc2c(F)cccc2Br)c2ccccc21 ZINC000752230950 722850136 /nfs/dbraw/zinc/85/01/36/722850136.db2.gz 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/nfs/dbraw/zinc/15/31/70/729153170.db2.gz YSEVKXYAUFLNCJ-CYBMUJFWSA-N -1 3 361.858 3.358 20 0 FGADHM Cc1cc(C)c(-c2nn[n-]n2)c(SC[C@@H](O)c2cccc(Cl)c2)n1 ZINC000822193460 729153172 /nfs/dbraw/zinc/15/31/72/729153172.db2.gz YSEVKXYAUFLNCJ-CYBMUJFWSA-N -1 3 361.858 3.358 20 0 FGADHM O=C(Nc1ccc(OC[C@H]2CCCO2)cc1)c1[n-]cnc1C(F)(F)F ZINC000822549621 729193183 /nfs/dbraw/zinc/19/31/83/729193183.db2.gz VPRVWYABIOWVNC-GFCCVEGCSA-N -1 3 355.316 3.239 20 0 FGADHM O=C(Nc1ccc(OC[C@H]2CCCO2)cc1)c1nc[n-]c1C(F)(F)F ZINC000822549621 729193189 /nfs/dbraw/zinc/19/31/89/729193189.db2.gz VPRVWYABIOWVNC-GFCCVEGCSA-N -1 3 355.316 3.239 20 0 FGADHM O=C(c1ncc(-c2nnn[n-]2)cc1Cl)N1CCC[C@H]1C1CCCCC1 ZINC000823498534 729285217 /nfs/dbraw/zinc/28/52/17/729285217.db2.gz TWILSZJHOUJIMA-AWEZNQCLSA-N -1 3 360.849 3.100 20 0 FGADHM O=C(c1ncc(-c2nn[n-]n2)cc1Cl)N1CCC[C@H]1C1CCCCC1 ZINC000823498534 729285220 /nfs/dbraw/zinc/28/52/20/729285220.db2.gz TWILSZJHOUJIMA-AWEZNQCLSA-N -1 3 360.849 3.100 20 0 FGADHM CN(C)c1cccc2sc(C(=O)N3CC[C@H](c4cc(=O)[nH][n-]4)C3)cc21 ZINC000823806542 729305791 /nfs/dbraw/zinc/30/57/91/729305791.db2.gz ZVNSZIJJKHIHHD-NSHDSACASA-N -1 3 356.451 3.026 20 0 FGADHM Brc1ccc(-c2noc(-c3ccc(-c4nnn[n-]4)cc3)n2)cc1 ZINC000823826662 729307075 /nfs/dbraw/zinc/30/70/75/729307075.db2.gz MJQWEBRRJNXHPN-UHFFFAOYSA-N -1 3 369.182 3.346 20 0 FGADHM Brc1ccc(-c2noc(-c3ccc(-c4nn[n-]n4)cc3)n2)cc1 ZINC000823826662 729307077 /nfs/dbraw/zinc/30/70/77/729307077.db2.gz MJQWEBRRJNXHPN-UHFFFAOYSA-N -1 3 369.182 3.346 20 0 FGADHM Brc1ccc(N[C@H]2CCOC3(CCC3)C2)c(-c2nnn[n-]2)c1 ZINC000823832350 729307498 /nfs/dbraw/zinc/30/74/98/729307498.db2.gz NEFZVNMMLXOVCF-NSHDSACASA-N -1 3 364.247 3.143 20 0 FGADHM Brc1ccc(N[C@H]2CCOC3(CCC3)C2)c(-c2nn[n-]n2)c1 ZINC000823832350 729307499 /nfs/dbraw/zinc/30/74/99/729307499.db2.gz NEFZVNMMLXOVCF-NSHDSACASA-N -1 3 364.247 3.143 20 0 FGADHM Brc1cccc2c1CC[C@H]2Nc1cnccc1-c1nnn[n-]1 ZINC000823831856 729307631 /nfs/dbraw/zinc/30/76/31/729307631.db2.gz FQGJTBFXXGJRPC-CYBMUJFWSA-N -1 3 357.215 3.124 20 0 FGADHM Brc1cccc2c1CC[C@H]2Nc1cnccc1-c1nn[n-]n1 ZINC000823831856 729307634 /nfs/dbraw/zinc/30/76/34/729307634.db2.gz FQGJTBFXXGJRPC-CYBMUJFWSA-N -1 3 357.215 3.124 20 0 FGADHM CC(C)(C)Cc1csc(NC(=O)Cc2cccc(-c3nnn[n-]3)c2)n1 ZINC000824093695 729319225 /nfs/dbraw/zinc/31/92/25/729319225.db2.gz JUUQJQCDOBFYCW-UHFFFAOYSA-N -1 3 356.455 3.093 20 0 FGADHM CC(C)(C)Cc1csc(NC(=O)Cc2cccc(-c3nn[n-]n3)c2)n1 ZINC000824093695 729319226 /nfs/dbraw/zinc/31/92/26/729319226.db2.gz JUUQJQCDOBFYCW-UHFFFAOYSA-N -1 3 356.455 3.093 20 0 FGADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)c2cc(Cl)c(Cl)nc2C)n1 ZINC000824154828 729321845 /nfs/dbraw/zinc/32/18/45/729321845.db2.gz SPZMNWHGYDFQPM-UHFFFAOYSA-N -1 3 355.225 3.166 20 0 FGADHM CC(C)(C)OC(=O)c1ccc([N-]C(=O)c2conc2C(F)(F)F)nc1 ZINC000824162992 729322200 /nfs/dbraw/zinc/32/22/00/729322200.db2.gz BCDOKTMJEBNWAJ-UHFFFAOYSA-N -1 3 357.288 3.296 20 0 FGADHM CC(C)[C@H]1OCC[C@H]1CNc1ccc(Br)cc1-c1nnn[n-]1 ZINC000824227954 729325892 /nfs/dbraw/zinc/32/58/92/729325892.db2.gz CKHYXMUTZLGAMP-IINYFYTJSA-N -1 3 366.263 3.102 20 0 FGADHM CC(C)[C@H]1OCC[C@H]1CNc1ccc(Br)cc1-c1nn[n-]n1 ZINC000824227954 729325895 /nfs/dbraw/zinc/32/58/95/729325895.db2.gz CKHYXMUTZLGAMP-IINYFYTJSA-N -1 3 366.263 3.102 20 0 FGADHM CC(C)OCCCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000824309836 729330068 /nfs/dbraw/zinc/33/00/68/729330068.db2.gz WWEBGDQQWACNIA-UHFFFAOYSA-N -1 3 363.487 3.341 20 0 FGADHM CC(C)OCCCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000824309836 729330070 /nfs/dbraw/zinc/33/00/70/729330070.db2.gz WWEBGDQQWACNIA-UHFFFAOYSA-N -1 3 363.487 3.341 20 0 FGADHM CSCC1(CCNC(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)CC1 ZINC000824932754 729365578 /nfs/dbraw/zinc/36/55/78/729365578.db2.gz JKDACUFLBXOGSS-UHFFFAOYSA-N -1 3 352.406 3.069 20 0 FGADHM CCC/C=C/C(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000825260825 729376046 /nfs/dbraw/zinc/37/60/46/729376046.db2.gz RQZJUSZJQQMOGP-SNAWJCMRSA-N -1 3 357.805 3.001 20 0 FGADHM CCC/C=C/C(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000825260825 729376047 /nfs/dbraw/zinc/37/60/47/729376047.db2.gz RQZJUSZJQQMOGP-SNAWJCMRSA-N -1 3 357.805 3.001 20 0 FGADHM CCN(C(=O)c1ccc(OC)cc1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825386130 729381356 /nfs/dbraw/zinc/38/13/56/729381356.db2.gz YLLBQYSSFAMHLU-UHFFFAOYSA-N -1 3 357.801 3.195 20 0 FGADHM CCN(C(=O)c1ccc(OC)cc1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825386130 729381358 /nfs/dbraw/zinc/38/13/58/729381358.db2.gz YLLBQYSSFAMHLU-UHFFFAOYSA-N -1 3 357.801 3.195 20 0 FGADHM CCc1cc(OCC(=O)Nc2ccc(-c3nnn[n-]3)cc2)ccc1Cl ZINC000825700376 729391967 /nfs/dbraw/zinc/39/19/67/729391967.db2.gz CYHUQUBNNATRRT-UHFFFAOYSA-N -1 3 357.801 3.100 20 0 FGADHM CCc1cc(OCC(=O)Nc2ccc(-c3nn[n-]n3)cc2)ccc1Cl ZINC000825700376 729391969 /nfs/dbraw/zinc/39/19/69/729391969.db2.gz CYHUQUBNNATRRT-UHFFFAOYSA-N -1 3 357.801 3.100 20 0 FGADHM CO[C@@H]1CCCN(c2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)CC1 ZINC000826147221 729406110 /nfs/dbraw/zinc/40/61/10/729406110.db2.gz QFWACCKKYZERQT-GFCCVEGCSA-N -1 3 358.833 3.074 20 0 FGADHM CO[C@@H]1CCCN(c2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)CC1 ZINC000826147221 729406111 /nfs/dbraw/zinc/40/61/11/729406111.db2.gz QFWACCKKYZERQT-GFCCVEGCSA-N -1 3 358.833 3.074 20 0 FGADHM Cc1ccnc(N[C@H]2C[C@H]2c2cccc(Br)c2)c1-c1nnn[n-]1 ZINC000826312809 729407121 /nfs/dbraw/zinc/40/71/21/729407121.db2.gz OWDREYZJMAQHOT-STQMWFEESA-N -1 3 371.242 3.301 20 0 FGADHM Cc1ccnc(N[C@H]2C[C@H]2c2cccc(Br)c2)c1-c1nn[n-]n1 ZINC000826312809 729407123 /nfs/dbraw/zinc/40/71/23/729407123.db2.gz OWDREYZJMAQHOT-STQMWFEESA-N -1 3 371.242 3.301 20 0 FGADHM Cc1cn(C2CCCCC2)nc1NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000826317355 729407171 /nfs/dbraw/zinc/40/71/71/729407171.db2.gz ZMIQACUKHHYQPP-UHFFFAOYSA-N -1 3 357.443 3.191 20 0 FGADHM Cc1cn(C2CCCCC2)nc1NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000826317355 729407172 /nfs/dbraw/zinc/40/71/72/729407172.db2.gz ZMIQACUKHHYQPP-UHFFFAOYSA-N -1 3 357.443 3.191 20 0 FGADHM Cc1ncc(CN[C@H](c2cccc(-c3nnn[n-]3)c2)C(F)(F)F)s1 ZINC000826329429 729407340 /nfs/dbraw/zinc/40/73/40/729407340.db2.gz COGQQDICUPECHS-GFCCVEGCSA-N -1 3 354.361 3.025 20 0 FGADHM Cc1ncc(CN[C@H](c2cccc(-c3nn[n-]n3)c2)C(F)(F)F)s1 ZINC000826329429 729407341 /nfs/dbraw/zinc/40/73/41/729407341.db2.gz COGQQDICUPECHS-GFCCVEGCSA-N -1 3 354.361 3.025 20 0 FGADHM Fc1cccc(CN[C@@H](c2cccc(-c3nnn[n-]3)c2)C(F)(F)F)c1 ZINC000826376711 729407670 /nfs/dbraw/zinc/40/76/70/729407670.db2.gz OPZLDNRLJJUQNY-AWEZNQCLSA-N -1 3 351.307 3.399 20 0 FGADHM Fc1cccc(CN[C@@H](c2cccc(-c3nn[n-]n3)c2)C(F)(F)F)c1 ZINC000826376711 729407671 /nfs/dbraw/zinc/40/76/71/729407671.db2.gz OPZLDNRLJJUQNY-AWEZNQCLSA-N -1 3 351.307 3.399 20 0 FGADHM O=C([N-]OCc1ccc(F)cc1Br)[C@@H]1C[C@H]1C(F)(F)F ZINC000829748110 729508747 /nfs/dbraw/zinc/50/87/47/729508747.db2.gz FECWULKSQNQKFQ-RKDXNWHRSA-N -1 3 356.113 3.334 20 0 FGADHM C[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2ccc(N)cc2[O-])CC1 ZINC000830597601 729574728 /nfs/dbraw/zinc/57/47/28/729574728.db2.gz PTXPZVWJPTZSBR-CYBMUJFWSA-N -1 3 359.857 3.147 20 0 FGADHM CC1(C(=O)[N-]OCc2ccc(F)cc2Br)CCC(=O)CC1 ZINC000830598996 729575012 /nfs/dbraw/zinc/57/50/12/729575012.db2.gz DQIHLTYDTQDMRN-UHFFFAOYSA-N -1 3 358.207 3.285 20 0 FGADHM CCOC(=O)c1cc(S(=O)(=O)[N-]CCCC(C)(F)F)c(F)cc1C ZINC000831682962 729660858 /nfs/dbraw/zinc/66/08/58/729660858.db2.gz GSGRKXXKSJXLGI-UHFFFAOYSA-N -1 3 367.389 3.025 20 0 FGADHM COc1cccc([O-])c1C(=O)N1CCC(c2nc3c(s2)CCC3)CC1 ZINC000834521176 729809928 /nfs/dbraw/zinc/80/99/28/729809928.db2.gz XYPCARXQBPKXPE-UHFFFAOYSA-N -1 3 358.463 3.366 20 0 FGADHM O=C(OCc1cc(=O)[n-]c(C2CC2)n1)c1csc(Br)c1 ZINC000837413807 730027004 /nfs/dbraw/zinc/02/70/04/730027004.db2.gz SAGKIKOIVADNPJ-UHFFFAOYSA-N -1 3 355.213 3.241 20 0 FGADHM O=C(OCc1cc(=O)[n-]c(C2CC2)n1)c1cccnc1SC(F)(F)F ZINC000837467011 730032771 /nfs/dbraw/zinc/03/27/71/730032771.db2.gz COLOEPHMPJHDKB-UHFFFAOYSA-N -1 3 371.340 3.424 20 0 FGADHM O=C(OCc1cc(=O)[n-]c(C2CC2)n1)c1c(F)cccc1Br ZINC000837560431 730042078 /nfs/dbraw/zinc/04/20/78/730042078.db2.gz HGCFCMJDVPCITA-UHFFFAOYSA-N -1 3 367.174 3.318 20 0 FGADHM CC(C)N(CCCOC(=O)Cc1ccc([O-])c(F)c1)CC(F)(F)F ZINC000838142818 730093239 /nfs/dbraw/zinc/09/32/39/730093239.db2.gz BQZFDVFXJRUXED-UHFFFAOYSA-N -1 3 351.340 3.280 20 0 FGADHM COC(=O)c1cc(C(=O)OC2CCN(c3cccc(Cl)c3)CC2)c[n-]1 ZINC000842456047 730504176 /nfs/dbraw/zinc/50/41/76/730504176.db2.gz PCFFKJJLCBUJIZ-UHFFFAOYSA-N -1 3 362.813 3.281 20 0 FGADHM Cc1sc2[n-]c([C@H](C)OC(=O)C[C@@H](C)n3ccnc3)nc(=O)c2c1C ZINC000845280189 730826487 /nfs/dbraw/zinc/82/64/87/730826487.db2.gz GXNNXFWDNXWTHX-KOLCDFICSA-N -1 3 360.439 3.466 20 0 FGADHM O=C([O-])c1cccc(Cl)c1CN1CCC(OC[C@H]2CCCO2)CC1 ZINC000846243931 730939651 /nfs/dbraw/zinc/93/96/51/730939651.db2.gz QQIUDDJWQBTYFZ-CQSZACIVSA-N -1 3 353.846 3.198 20 0 FGADHM O=C([O-])CC[C@H]1CCCN(C[C@H](O)c2ccccc2Br)C1 ZINC000846281738 730943321 /nfs/dbraw/zinc/94/33/21/730943321.db2.gz QHFJYGLHQIQHPZ-DOMZBBRYSA-N -1 3 356.260 3.059 20 0 FGADHM [O-]C(=NO[C@H]1CCCCO1)Nc1cnn(-c2ccccc2)c1C(F)F ZINC000847205997 731033184 /nfs/dbraw/zinc/03/31/84/731033184.db2.gz RLWVAIHFUVGQSZ-ZDUSSCGKSA-N -1 3 352.341 3.390 20 0 FGADHM O=C([N-]O[C@H]1CCCCO1)Nc1cnn(-c2ccccc2)c1C(F)F ZINC000847205997 731033186 /nfs/dbraw/zinc/03/31/86/731033186.db2.gz RLWVAIHFUVGQSZ-ZDUSSCGKSA-N -1 3 352.341 3.390 20 0 FGADHM CCC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C[C@]2(C)CC2(F)F)c1 ZINC000849460848 731262317 /nfs/dbraw/zinc/26/23/17/731262317.db2.gz QKRLUGXKXZYSRV-ZDUSSCGKSA-N -1 3 351.802 3.256 20 0 FGADHM C[C@]1(CC[N-]S(=O)(=O)c2cc3c(cc2Cl)CCC3=O)CC1(F)F ZINC000849461569 731262565 /nfs/dbraw/zinc/26/25/65/731262565.db2.gz SVQQGWXCEMXESK-AWEZNQCLSA-N -1 3 363.813 3.183 20 0 FGADHM CO[C@H](C(=O)O[C@@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1)C1CCC1 ZINC000850173692 731329110 /nfs/dbraw/zinc/32/91/10/731329110.db2.gz MFSSGIPRIUYLOD-ZANVPECISA-N -1 3 350.440 3.433 20 0 FGADHM O=C([N-][C@@H]1CN(CCCCF)CC[C@@H]1c1ccc(F)cc1)C(F)(F)F ZINC000852504512 731594328 /nfs/dbraw/zinc/59/43/28/731594328.db2.gz ILTZYHKMAKKJFK-HUUCEWRRSA-N -1 3 364.358 3.412 20 0 FGADHM C[C@@H]1CCN(CCCC(=O)c2ccccc2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000852756475 731630439 /nfs/dbraw/zinc/63/04/39/731630439.db2.gz KGUKSNBBJBSQKH-HIFRSBDPSA-N -1 3 356.388 3.038 20 0 FGADHM C[C@@H]1CCN(Cc2cccc3cccnc32)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000852757572 731630458 /nfs/dbraw/zinc/63/04/58/731630458.db2.gz WBOFIGDQNDGRDR-DOMZBBRYSA-N -1 3 351.372 3.124 20 0 FGADHM CCOc1ccc([N-]S(=O)(=O)C2=Cc3ccccc3OCC2)nc1C ZINC000853076983 731661423 /nfs/dbraw/zinc/66/14/23/731661423.db2.gz RKNYISKWTMGNHY-UHFFFAOYSA-N -1 3 360.435 3.354 20 0 FGADHM CC[C@@H](C(=O)Nc1cccc(C(C)=O)c1[O-])N(C)C(=O)OC(C)(C)C ZINC000854469206 731831542 /nfs/dbraw/zinc/83/15/42/731831542.db2.gz XWINWOIERNQCKK-AWEZNQCLSA-N -1 3 350.415 3.179 20 0 FGADHM CC(C)Cc1nsc([N-]C(=O)c2cnc(F)c(Br)c2)n1 ZINC000855707968 731948417 /nfs/dbraw/zinc/94/84/17/731948417.db2.gz WSKWMNLBNIALQJ-UHFFFAOYSA-N -1 3 359.224 3.286 20 0 FGADHM O=C([N-]C[C@]12OCCC[C@H]1C2(F)F)C(F)(F)c1cccc(Cl)c1 ZINC000855786526 731954894 /nfs/dbraw/zinc/95/48/94/731954894.db2.gz RDUONECOGCKOQD-YPMHNXCESA-N -1 3 351.727 3.362 20 0 FGADHM COc1cc(CSCc2nc(C)cc(=O)[n-]2)c(Br)cn1 ZINC000857249348 732115317 /nfs/dbraw/zinc/11/53/17/732115317.db2.gz XCRGSBNHNSTYEM-UHFFFAOYSA-N -1 3 356.245 3.090 20 0 FGADHM COc1c(C)cnc(CNC(=O)c2cc([O-])cc(Br)c2)c1C ZINC000858928715 732259838 /nfs/dbraw/zinc/25/98/38/732259838.db2.gz ZROIJXQNICXNDG-UHFFFAOYSA-N -1 3 365.227 3.105 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]CC2(C(F)(F)F)CCCC2)c(Cl)n1 ZINC000859392878 732321864 /nfs/dbraw/zinc/32/18/64/732321864.db2.gz KSNIEBMBYDPYMI-UHFFFAOYSA-N -1 3 356.797 3.444 20 0 FGADHM Cc1ccc(-c2cc(C(=O)OCCn3ccc(C(F)(F)F)n3)n[n-]2)o1 ZINC000861411445 732677742 /nfs/dbraw/zinc/67/77/42/732677742.db2.gz NRTKVHKOSZVFBF-UHFFFAOYSA-N -1 3 354.288 3.050 20 0 FGADHM Cc1ccc(-c2cc(C(=O)OCCn3ccc(C(F)(F)F)n3)[n-]n2)o1 ZINC000861411445 732677746 /nfs/dbraw/zinc/67/77/46/732677746.db2.gz NRTKVHKOSZVFBF-UHFFFAOYSA-N -1 3 354.288 3.050 20 0 FGADHM CCSc1ccc(CC(=O)[N-]OCCCOC)c(Br)c1 ZINC000861695567 732721104 /nfs/dbraw/zinc/72/11/04/732721104.db2.gz UJKJIHDCBZZYSO-UHFFFAOYSA-N -1 3 362.289 3.188 20 0 FGADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCC(=O)c1cccc(F)c1Cl ZINC000862947594 732893980 /nfs/dbraw/zinc/89/39/80/732893980.db2.gz OGQXXUXYUPMAQV-UHFFFAOYSA-N -1 3 365.792 3.019 20 0 FGADHM COc1cnc(F)c([N-]S(=O)(=O)c2ccc(OC3CCCC3)cc2)c1 ZINC000863449603 732964596 /nfs/dbraw/zinc/96/45/96/732964596.db2.gz PIJJPVAZZHGURB-UHFFFAOYSA-N -1 3 366.414 3.352 20 0 FGADHM COc1cc(Br)c(CN[C@H](CC=C(C)C)C(=O)[O-])cc1OC ZINC000864528115 733073450 /nfs/dbraw/zinc/07/34/50/733073450.db2.gz KZKYKADFELYJFO-CYBMUJFWSA-N -1 3 372.259 3.365 20 0 FGADHM COc1ccc(NCc2ccc(C(F)F)nc2)cc1[N-]S(C)(=O)=O ZINC000865496518 733213424 /nfs/dbraw/zinc/21/34/24/733213424.db2.gz BHOFHZWKVQFDFE-UHFFFAOYSA-N -1 3 357.382 3.011 20 0 FGADHM C[C@@H](NCc1nc2c(c(=O)[n-]1)COCC2)c1ccc(SC(F)F)cc1 ZINC000866628562 733376495 /nfs/dbraw/zinc/37/64/95/733376495.db2.gz PEEQGNNNLVALOO-SNVBAGLBSA-N -1 3 367.421 3.420 20 0 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FGADHM Cc1noc2ncc([N-]S(=O)(=O)CCC3Cc4ccccc4C3)cc12 ZINC000576995995 505641491 /nfs/dbraw/zinc/64/14/91/505641491.db2.gz IZBKQPFEEQRUAV-UHFFFAOYSA-N -1 3 357.435 3.078 20 0 FGADHM Cc1ccccc1[C@H]1CCN([C@@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)C1 ZINC000580084318 505674716 /nfs/dbraw/zinc/67/47/16/505674716.db2.gz QBTODHCBAABBRQ-LPHOPBHVSA-N -1 3 366.461 3.187 20 0 FGADHM CCc1ccc([C@H](CN=c2[n-]nc(C3CCOCC3)s2)N(C)C)cc1 ZINC000568369546 505677291 /nfs/dbraw/zinc/67/72/91/505677291.db2.gz PJLRGYJBXKPNDC-KRWDZBQOSA-N -1 3 360.527 3.131 20 0 FGADHM CSc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])cc1 ZINC000048029820 493776315 /nfs/dbraw/zinc/77/63/15/493776315.db2.gz NLJPEZOVABWVRE-MRXNPFEDSA-N -1 3 356.447 3.357 20 0 FGADHM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(C(N)=O)cc2F)cc1 ZINC000080781967 493777671 /nfs/dbraw/zinc/77/76/71/493777671.db2.gz TVMMOPRJJYDBEX-UHFFFAOYSA-N -1 3 350.415 3.023 20 0 FGADHM COC[C@H]([N-]S(=O)(=O)Cc1cccc(C(F)(F)F)c1)c1ccco1 ZINC000080790035 493778893 /nfs/dbraw/zinc/77/88/93/493778893.db2.gz SYUPYZWQXROYMX-ZDUSSCGKSA-N -1 3 363.357 3.106 20 0 FGADHM COC[C@H]([N-]S(=O)(=O)c1cccc2cc(C)cnc21)c1ccc(C)o1 ZINC000080788333 493779087 /nfs/dbraw/zinc/77/90/87/493779087.db2.gz DEOIKCJNYRWVCS-HNNXBMFYSA-N -1 3 360.435 3.111 20 0 FGADHM COc1cc(F)c(S(=O)(=O)[N-][C@@H](C)[C@@H](C)c2ccccc2)cc1OC ZINC000080802042 493781430 /nfs/dbraw/zinc/78/14/30/493781430.db2.gz XJDMJFSBLXKQRU-OLZOCXBDSA-N -1 3 367.442 3.313 20 0 FGADHM CS(=O)(=O)[N-]c1ccc(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)cc1 ZINC000028329324 493785864 /nfs/dbraw/zinc/78/58/64/493785864.db2.gz SYNDTDOTKYHOED-YSVLISHTSA-N -1 3 350.484 3.147 20 0 FGADHM COc1cc(NC(=O)c2cc(-c3ccco3)[n-]n2)ccc1N1CCCC1=O ZINC000028505161 493792399 /nfs/dbraw/zinc/79/23/99/493792399.db2.gz QGFBOIIYHYWZBR-UHFFFAOYSA-N -1 3 366.377 3.057 20 0 FGADHM COc1cc(NC(=O)c2cc(-c3ccco3)n[n-]2)ccc1N1CCCC1=O ZINC000028505161 493792403 /nfs/dbraw/zinc/79/24/03/493792403.db2.gz QGFBOIIYHYWZBR-UHFFFAOYSA-N -1 3 366.377 3.057 20 0 FGADHM Cc1ccc(-c2csc(NC(=O)CCc3c(C)nc(C)[n-]c3=O)n2)s1 ZINC000057809898 493800472 /nfs/dbraw/zinc/80/04/72/493800472.db2.gz FEVYAIDPRGVUKF-UHFFFAOYSA-N -1 3 374.491 3.451 20 0 FGADHM Cc1cccc(NC(=O)CS(=O)(=O)[N-]c2ccc(OC(C)C)cc2)c1 ZINC000048244226 493806351 /nfs/dbraw/zinc/80/63/51/493806351.db2.gz ZNXQDBHWPCUVII-UHFFFAOYSA-N -1 3 362.451 3.163 20 0 FGADHM Cc1c(C(=O)[O-])cnn1C1CCN(Cc2cccc3cccnc32)CC1 ZINC000577185302 505682172 /nfs/dbraw/zinc/68/21/72/505682172.db2.gz ISYLEWSDMUZQDI-UHFFFAOYSA-N -1 3 350.422 3.275 20 0 FGADHM Cc1cc(C)c2ncc(C(=O)[O-])c(N3CC[S@](=O)C(C)(C)CC3)c2c1 ZINC000577183380 505682311 /nfs/dbraw/zinc/68/23/11/505682311.db2.gz YGNJBLXJFKQNPE-VWLOTQADSA-N -1 3 360.479 3.287 20 0 FGADHM CO[C@@H](C)C(=O)Nc1cccc(NC(=O)c2c[n-]nc2-c2ccccc2)c1 ZINC000068461896 493825121 /nfs/dbraw/zinc/82/51/21/493825121.db2.gz WWFWYQGYEBUBSW-ZDUSSCGKSA-N -1 3 364.405 3.302 20 0 FGADHM O=S(=O)([N-]C[C@@H](c1ccccc1)N1CCCC1)c1cc(F)ccc1F ZINC000048438604 493828395 /nfs/dbraw/zinc/82/83/95/493828395.db2.gz MRLWKBPLMQYYLC-KRWDZBQOSA-N -1 3 366.433 3.080 20 0 FGADHM O=C([N-]c1nnc(C(F)(F)F)s1)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000029284456 493831011 /nfs/dbraw/zinc/83/10/11/493831011.db2.gz DOOUDGPXHZMCIB-UHFFFAOYSA-N -1 3 357.292 3.338 20 0 FGADHM CC(C)c1ccc(OCCNC(=O)c2c[n-]c3ccccc3c2=O)cc1 ZINC000058347249 493845509 /nfs/dbraw/zinc/84/55/09/493845509.db2.gz NJLNDSDYAGNEIL-UHFFFAOYSA-N -1 3 350.418 3.460 20 0 FGADHM COC(=O)c1ccsc1[N-]C(=O)C(=O)N(C)[C@H](C)c1ccc(C)cc1 ZINC000076253663 493854550 /nfs/dbraw/zinc/85/45/50/493854550.db2.gz QDOFOONXIIWLRL-GFCCVEGCSA-N -1 3 360.435 3.001 20 0 FGADHM CCCOc1ncccc1CNc1ccc(-c2nc(CC)cc(=O)[n-]2)cn1 ZINC000068692424 493858493 /nfs/dbraw/zinc/85/84/93/493858493.db2.gz CJRJIYJCKCITTC-UHFFFAOYSA-N -1 3 365.437 3.190 20 0 FGADHM O=S(=O)([N-][C@@H](CN1CCCC1)c1ccccc1)c1ccc(F)cc1F ZINC000030008127 493874012 /nfs/dbraw/zinc/87/40/12/493874012.db2.gz FZIMQJSEAPNMCZ-KRWDZBQOSA-N -1 3 366.433 3.080 20 0 FGADHM CNC(=O)c1cc(Oc2cccc(NC(=O)c3cccc([O-])c3)c2)ccn1 ZINC000577203254 505686421 /nfs/dbraw/zinc/68/64/21/505686421.db2.gz XJKJEUGESUZPOD-UHFFFAOYSA-N -1 3 363.373 3.191 20 0 FGADHM C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1[O-])NC(=O)C1CCCC1 ZINC000081458536 493896681 /nfs/dbraw/zinc/89/66/81/493896681.db2.gz SBJSIEXHXVIULR-SNVBAGLBSA-N -1 3 358.360 3.435 20 0 FGADHM Cc1cccc2nc(C[N-]S(=O)(=O)c3c(Cl)cccc3Cl)cn21 ZINC000068944296 493898259 /nfs/dbraw/zinc/89/82/59/493898259.db2.gz CYRSODFQUPUCKS-UHFFFAOYSA-N -1 3 370.261 3.428 20 0 FGADHM O=C(CCOc1ccccc1)N1CCC[C@@H](C(=O)Nc2ccccc2[O-])C1 ZINC000050170739 493905181 /nfs/dbraw/zinc/90/51/81/493905181.db2.gz LYWXZYKZZSOTBT-MRXNPFEDSA-N -1 3 368.433 3.038 20 0 FGADHM CCOC(=O)c1ccsc1[N-]C(=O)C(=O)N1CCC2(C1)CCCCC2 ZINC000076510376 493911246 /nfs/dbraw/zinc/91/12/46/493911246.db2.gz PQJUEJBPMMISGZ-UHFFFAOYSA-N -1 3 364.467 3.046 20 0 FGADHM O=c1cc(CN2CCOc3c(Cl)cc(Br)cc32)occ1[O-] ZINC000571248364 505688329 /nfs/dbraw/zinc/68/83/29/505688329.db2.gz 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3.290 20 0 FGADHM Cc1nc(C2([N-]S(=O)(=O)c3ccc(F)cc3C)CCCCCC2)no1 ZINC000024689246 494654108 /nfs/dbraw/zinc/65/41/08/494654108.db2.gz FZPNELIUQPISFB-UHFFFAOYSA-N -1 3 367.446 3.354 20 0 FGADHM Cc1cc(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)ccc1C(=O)N(C)C ZINC000091732795 494660914 /nfs/dbraw/zinc/66/09/14/494660914.db2.gz MLKHICXYSXNEAU-UHFFFAOYSA-N -1 3 368.433 3.368 20 0 FGADHM CO[C@@H](C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)C(C)(C)C ZINC000074973903 494666164 /nfs/dbraw/zinc/66/61/64/494666164.db2.gz ZDJMBRFYKIMQDM-LBPRGKRZSA-N -1 3 357.369 3.184 20 0 FGADHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc(-c4ccccc4)[nH]n3)c2)n1 ZINC000047329197 494682040 /nfs/dbraw/zinc/68/20/40/494682040.db2.gz IULRYMMKCWMJMR-UHFFFAOYSA-N -1 3 371.400 3.388 20 0 FGADHM O=c1cc(C[S@](=O)Cc2nnc(C3CC3)s2)nc(-c2ccccc2)[n-]1 ZINC000568608457 505735926 /nfs/dbraw/zinc/73/59/26/505735926.db2.gz XEDAWJLYLQKFMQ-VWLOTQADSA-N -1 3 372.475 3.027 20 0 FGADHM Cc1nc(C)c(CC[N-]S(=O)(=O)c2ccccc2C(F)(F)F)s1 ZINC000108404814 494699108 /nfs/dbraw/zinc/69/91/08/494699108.db2.gz KPBAVEYHHQMRTI-UHFFFAOYSA-N -1 3 364.414 3.300 20 0 FGADHM CCO[C@@H](C)c1noc(CN(C)C(=O)c2cc3c(cc2[O-])CCCC3)n1 ZINC000075177714 494700732 /nfs/dbraw/zinc/70/07/32/494700732.db2.gz ZDBLPBDTNFEBGQ-LBPRGKRZSA-N -1 3 359.426 3.024 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)NC[C@H](C)Oc2ccc(Cl)cc2)c1 ZINC000075229711 494712551 /nfs/dbraw/zinc/71/25/51/494712551.db2.gz SLPWHUHNOZLWPO-NSHDSACASA-N -1 3 362.813 3.201 20 0 FGADHM Cn1cc(-c2csc(NC(=O)c3c[n-]nc3-c3ccccc3)n2)cn1 ZINC000080473745 494715052 /nfs/dbraw/zinc/71/50/52/494715052.db2.gz REHLXZOYSNQKBJ-UHFFFAOYSA-N -1 3 350.407 3.186 20 0 FGADHM Cn1cc(-c2csc(NC(=O)c3cn[n-]c3-c3ccccc3)n2)cn1 ZINC000080473745 494715057 /nfs/dbraw/zinc/71/50/57/494715057.db2.gz REHLXZOYSNQKBJ-UHFFFAOYSA-N -1 3 350.407 3.186 20 0 FGADHM NC(=O)Cc1ccc(NC(=O)c2c[n-]nc2-c2ccc(Cl)cc2)cc1 ZINC000047525501 494726664 /nfs/dbraw/zinc/72/66/64/494726664.db2.gz AXBBHCVGSVWGAG-UHFFFAOYSA-N -1 3 354.797 3.010 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-][C@H](C)c1ncc(-c2ccccc2)o1 ZINC000121382847 494729533 /nfs/dbraw/zinc/72/95/33/494729533.db2.gz UZNNSJANCBGOAB-LLVKDONJSA-N -1 3 364.448 3.451 20 0 FGADHM CCC(C)(C)[C@@H](NCc1cn(-c2ccc(F)cc2Cl)nn1)C(=O)[O-] ZINC000577492883 505739327 /nfs/dbraw/zinc/73/93/27/505739327.db2.gz PHHGCBVBUVBWCT-AWEZNQCLSA-N -1 3 354.813 3.039 20 0 FGADHM O=C([N-]c1cc(F)c(N2CCOCC2)cc1F)c1c(F)cc(F)cc1F ZINC000580358960 505740267 /nfs/dbraw/zinc/74/02/67/505740267.db2.gz NACUIYGHEUYPLG-UHFFFAOYSA-N -1 3 372.293 3.471 20 0 FGADHM CCn1cc(C2CCN(C(=O)c3ccc4c(c3[O-])OC(C)(C)C4)CC2)cn1 ZINC000131890352 494763888 /nfs/dbraw/zinc/76/38/88/494763888.db2.gz PIJSOUDASCCUHN-UHFFFAOYSA-N -1 3 369.465 3.342 20 0 FGADHM CCc1ccc([C@H](C)C(=O)Nc2nc(-c3ccccc3OC)n[n-]2)cc1 ZINC000068110824 494764966 /nfs/dbraw/zinc/76/49/66/494764966.db2.gz PFLHEEUVNJOYNR-ZDUSSCGKSA-N -1 3 350.422 3.207 20 0 FGADHM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)CO3)cc1 ZINC000025694710 494769489 /nfs/dbraw/zinc/76/94/89/494769489.db2.gz UWJYPSSDNPSVJR-GFCCVEGCSA-N -1 3 360.435 3.332 20 0 FGADHM O=C(Nc1cc(Br)ccc1[O-])c1ccc(-c2ncon2)cc1 ZINC000126636697 494807254 /nfs/dbraw/zinc/80/72/54/494807254.db2.gz VCBCQFAMYFPLPP-UHFFFAOYSA-N -1 3 360.167 3.457 20 0 FGADHM O=C(CSC[C@H]1CCCCO1)Nc1cc(Br)ccc1[O-] ZINC000126644692 494809710 /nfs/dbraw/zinc/80/97/10/494809710.db2.gz CNRUJVBQNLRZCO-LLVKDONJSA-N -1 3 360.273 3.396 20 0 FGADHM CC(=O)N1CCC(CCC(=O)Nc2cc(Br)ccc2[O-])CC1 ZINC000126724731 494827198 /nfs/dbraw/zinc/82/71/98/494827198.db2.gz SYPNNABUXCNMIN-UHFFFAOYSA-N -1 3 369.259 3.132 20 0 FGADHM COc1ccc(CN(C(=O)c2cc(NC(C)=O)ccc2[O-])C2CC2)cc1 ZINC000121681525 494837543 /nfs/dbraw/zinc/83/75/43/494837543.db2.gz MXZIDVWGSRZOCB-UHFFFAOYSA-N -1 3 354.406 3.164 20 0 FGADHM O=S(=O)([N-][C@H](c1cccs1)c1ccc(Cl)cc1)c1c[nH]cn1 ZINC000121693253 494839245 /nfs/dbraw/zinc/83/92/45/494839245.db2.gz OOXKQMDJJSIEDG-AWEZNQCLSA-N -1 3 353.856 3.193 20 0 FGADHM Cc1ccc2[nH]c(C(=O)Nc3ccccc3[N-]S(C)(=O)=O)cc2c1C ZINC000116721890 494843593 /nfs/dbraw/zinc/84/35/93/494843593.db2.gz UHPREGGHAIOGJY-UHFFFAOYSA-N -1 3 357.435 3.409 20 0 FGADHM CCOC(=O)CC[C@H](C)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000121768000 494856026 /nfs/dbraw/zinc/85/60/26/494856026.db2.gz WVCBUFHKYCLSHC-VIFPVBQESA-N -1 3 354.255 3.004 20 0 FGADHM CCC[N-]S(=O)(=O)c1cc(Br)c(C)cc1Br ZINC000126904631 494859173 /nfs/dbraw/zinc/85/91/73/494859173.db2.gz DTBHPNFYMNFDJM-UHFFFAOYSA-N -1 3 371.094 3.208 20 0 FGADHM COc1ccccc1[C@H](CNC(=O)c1cc(C)ccc1[O-])N1CCCC1 ZINC000027570051 494874782 /nfs/dbraw/zinc/87/47/82/494874782.db2.gz SSIJBDGEOZZEBE-SFHVURJKSA-N -1 3 354.450 3.276 20 0 FGADHM Cc1ccc(CCC(=O)NCC(=O)Nc2cc(Cl)cc(C)c2[O-])cc1 ZINC000116979952 494878878 /nfs/dbraw/zinc/87/88/78/494878878.db2.gz PXFLMPFCKHWNQF-UHFFFAOYSA-N -1 3 360.841 3.350 20 0 FGADHM Cc1cccc([C@H](CC(=O)Nc2cc(Cl)cc(C)c2[O-])NC(N)=O)c1 ZINC000116980287 494879526 /nfs/dbraw/zinc/87/95/26/494879526.db2.gz LMOMTURELTZRDE-AWEZNQCLSA-N -1 3 361.829 3.401 20 0 FGADHM Cc1cccc([C@@H](CC(=O)Nc2cc(Cl)cc(C)c2[O-])NC(N)=O)c1 ZINC000116980285 494879660 /nfs/dbraw/zinc/87/96/60/494879660.db2.gz LMOMTURELTZRDE-CQSZACIVSA-N -1 3 361.829 3.401 20 0 FGADHM CC[C@@H](Sc1n[n-]c(-c2ccccn2)n1)C(=O)NCc1ccccc1 ZINC000117115244 494893383 /nfs/dbraw/zinc/89/33/83/494893383.db2.gz NMTCRJDXODNFDA-OAHLLOKOSA-N -1 3 353.451 3.054 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3cc(-c4cccnc4)[nH]n3)c[n-]c12 ZINC000132563888 494893425 /nfs/dbraw/zinc/89/34/25/494893425.db2.gz JEFSFJSSAVXTIO-UHFFFAOYSA-N -1 3 363.352 3.013 20 0 FGADHM O=C(CSc1n[n-]c(-c2ccccn2)n1)N[C@H]1CCCc2ccccc21 ZINC000117116662 494893514 /nfs/dbraw/zinc/89/35/14/494893514.db2.gz CZUBGBKEAVFZNI-HNNXBMFYSA-N -1 3 365.462 3.153 20 0 FGADHM Cc1nc(C)c(CC(=O)Nc2ccccc2N2CCc3ccccc32)c(=O)[n-]1 ZINC000127115417 494895617 /nfs/dbraw/zinc/89/56/17/494895617.db2.gz UMIODQKMQAWNPT-UHFFFAOYSA-N -1 3 374.444 3.262 20 0 FGADHM COc1ccc(C(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)c([O-])c1 ZINC000117205837 494900062 /nfs/dbraw/zinc/90/00/62/494900062.db2.gz QUDWWPDQMAOYPK-UHFFFAOYSA-N -1 3 357.250 3.358 20 0 FGADHM [O-]c1ccc(Br)c(CN2CCN(c3ncccc3F)CC2)c1 ZINC000093687621 494912347 /nfs/dbraw/zinc/91/23/47/494912347.db2.gz XHYLXMNCEVMSCF-UHFFFAOYSA-N -1 3 366.234 3.011 20 0 FGADHM Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(OCCN(C)C)cc2)cc1F ZINC000093867989 494928429 /nfs/dbraw/zinc/92/84/29/494928429.db2.gz BGXMZDGTCUBDGL-UHFFFAOYSA-N -1 3 370.421 3.014 20 0 FGADHM Cc1cc(F)c(S(=O)(=O)[N-][C@@H](c2nc(C3CC3)no2)C(C)C)cc1F ZINC000122144800 494930854 /nfs/dbraw/zinc/93/08/54/494930854.db2.gz JMHXHATZUXZACQ-CQSZACIVSA-N -1 3 371.409 3.209 20 0 FGADHM Cc1cnc([C@@H]([N-]S(=O)(=O)Cc2ccc(F)cc2F)C2CC2)s1 ZINC000127351550 494932217 /nfs/dbraw/zinc/93/22/17/494932217.db2.gz VEPAEUJYYLXVMH-AWEZNQCLSA-N -1 3 358.435 3.300 20 0 FGADHM CC(=O)Nc1cc(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)ccc1F ZINC000093912527 494934808 /nfs/dbraw/zinc/93/48/08/494934808.db2.gz VPCYMZUHNQOXRI-UHFFFAOYSA-N -1 3 358.369 3.456 20 0 FGADHM CCCN(CC(=O)Nc1ccccc1OC)C(=O)c1cc(CC)ccc1[O-] ZINC000093918753 494934936 /nfs/dbraw/zinc/93/49/36/494934936.db2.gz PFRFZZALKQOVFA-UHFFFAOYSA-N -1 3 370.449 3.454 20 0 FGADHM CCOc1cn(-c2ccccc2)nc1C(=O)NCc1ccc([O-])c(F)c1 ZINC000132881341 494937376 /nfs/dbraw/zinc/93/73/76/494937376.db2.gz NPCOCCWUXDSQEL-UHFFFAOYSA-N -1 3 355.369 3.046 20 0 FGADHM CCCN1Cc2cccc(NC(=O)c3cc(NC(C)=O)ccc3[O-])c2C1 ZINC000122194184 494938580 /nfs/dbraw/zinc/93/85/80/494938580.db2.gz FEMDGMOIXVDIKM-UHFFFAOYSA-N -1 3 353.422 3.329 20 0 FGADHM Cc1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2)c(OCCN(C)C)c1 ZINC000127398726 494939312 /nfs/dbraw/zinc/93/93/12/494939312.db2.gz FIZQWNLQRJFYTC-UHFFFAOYSA-N -1 3 370.421 3.014 20 0 FGADHM CN(C)CCN(Cc1ccc(F)cc1F)C(=O)c1cc(F)ccc1[O-] ZINC000094068131 494945635 /nfs/dbraw/zinc/94/56/35/494945635.db2.gz QQDFFBXPXGOAEY-UHFFFAOYSA-N -1 3 352.356 3.014 20 0 FGADHM O=C([N-]c1c(F)cccc1F)c1cn(-c2ccc(C(F)(F)F)cn2)nn1 ZINC000132969748 494949993 /nfs/dbraw/zinc/94/99/93/494949993.db2.gz VNEVQKQHZNCQLE-UHFFFAOYSA-N -1 3 369.253 3.212 20 0 FGADHM CN1CCN(C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)c2ccccc2C1 ZINC000094119053 494951132 /nfs/dbraw/zinc/95/11/32/494951132.db2.gz LPLFBGGHTSLAPV-UHFFFAOYSA-N -1 3 352.434 3.198 20 0 FGADHM CCc1cccc(C(=O)N(C)[C@H]2CCN(c3ccccc3Cl)C2=O)c1[O-] ZINC000094128409 494952682 /nfs/dbraw/zinc/95/26/82/494952682.db2.gz IHHFPIVXBOJKMI-KRWDZBQOSA-N -1 3 372.852 3.486 20 0 FGADHM NC(=O)CN(Cc1ccccc1)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000094132454 494952886 /nfs/dbraw/zinc/95/28/86/494952886.db2.gz VJFVOZWVBPOTOQ-UHFFFAOYSA-N -1 3 374.440 3.111 20 0 FGADHM CC(=O)N(C)c1ccccc1NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000094156811 494955398 /nfs/dbraw/zinc/95/53/98/494955398.db2.gz ONXVBPXETGKNSL-UHFFFAOYSA-N -1 3 354.406 3.341 20 0 FGADHM C[C@H](CNC(=O)c1cc(OCc2ccccc2)ccc1[O-])Cn1ccnc1 ZINC000094167204 494956037 /nfs/dbraw/zinc/95/60/37/494956037.db2.gz ITYUACFIXRGBIJ-MRXNPFEDSA-N -1 3 365.433 3.234 20 0 FGADHM CCc1nc(C(=O)NCc2ccc([O-])c(F)c2)nn1-c1ccccc1Cl ZINC000133037122 494959261 /nfs/dbraw/zinc/95/92/61/494959261.db2.gz SIPREVZJSPWQMS-UHFFFAOYSA-N -1 3 374.803 3.258 20 0 FGADHM C[C@H](CN1CCC[C@H](C)C1)NC(=O)c1ccc(Br)c([O-])c1 ZINC000133251723 494990904 /nfs/dbraw/zinc/99/09/04/494990904.db2.gz NUBPXZYJVHEVRX-NWDGAFQWSA-N -1 3 355.276 3.005 20 0 FGADHM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)cc2)cc1 ZINC000133260952 494991434 /nfs/dbraw/zinc/99/14/34/494991434.db2.gz OBNPBABDHBHZKW-UHFFFAOYSA-N -1 3 370.434 3.022 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N(C)[C@@H]2CCCN(c3ccccc3)C2)c1 ZINC000122557034 494994195 /nfs/dbraw/zinc/99/41/95/494994195.db2.gz ZIVKHYZPHMIIFZ-GOSISDBHSA-N -1 3 367.449 3.092 20 0 FGADHM C[C@@H](CNC(=O)c1ccc(Br)c([O-])c1)N1CCC(C)CC1 ZINC000133310917 494998551 /nfs/dbraw/zinc/99/85/51/494998551.db2.gz NKQWMWSIPOYNCT-LBPRGKRZSA-N -1 3 355.276 3.005 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)c1ccc(C(=O)OC)c(Cl)c1)c1nccs1 ZINC000133325736 495000781 /nfs/dbraw/zinc/00/07/81/495000781.db2.gz QXGKPZFUDJVVBH-LBPRGKRZSA-N -1 3 374.871 3.013 20 0 FGADHM COc1ccccc1S(=O)(=O)[N-][C@H](c1ccc(F)cc1)C(F)(F)F ZINC000118435401 495001816 /nfs/dbraw/zinc/00/18/16/495001816.db2.gz LCSUIAQQDLOWBF-CQSZACIVSA-N -1 3 363.332 3.416 20 0 FGADHM O=C(Cc1ccc(O)cc1Cl)NCc1ccc([O-])c(Br)c1 ZINC000122686046 495016033 /nfs/dbraw/zinc/01/60/33/495016033.db2.gz LXXVZWXGIGNWAD-UHFFFAOYSA-N -1 3 370.630 3.373 20 0 FGADHM C[C@@H](CS(=O)(=O)[N-]c1ccccc1N1CCCC1=O)c1ccccc1 ZINC000133438786 495014195 /nfs/dbraw/zinc/01/41/95/495014195.db2.gz UHTYVCOWKOOKCM-HNNXBMFYSA-N -1 3 358.463 3.359 20 0 FGADHM CC(C)n1cnnc1[C@@H]1CCCN(C(=O)Cc2ccc([O-])cc2Cl)C1 ZINC000133803856 495063921 /nfs/dbraw/zinc/06/39/21/495063921.db2.gz NDNGVKPCXKTFMO-CQSZACIVSA-N -1 3 362.861 3.167 20 0 FGADHM Cc1nc(C)c(CC(=O)N(C)Cc2ccccc2-c2ccccc2)c(=O)[n-]1 ZINC000101524424 495070877 /nfs/dbraw/zinc/07/08/77/495070877.db2.gz UXEKGYHPKKCFHD-UHFFFAOYSA-N -1 3 361.445 3.255 20 0 FGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C[C@H]2CC[C@H](C)C2)cc1OC ZINC000123043741 495072427 /nfs/dbraw/zinc/07/24/27/495072427.db2.gz RSSJCTXKOQYURH-STQMWFEESA-N -1 3 354.472 3.222 20 0 FGADHM CC(C)(C)c1ccc(C(=O)NCC(=O)N2CCCc3cccc([O-])c32)cc1 ZINC000128325460 495079879 /nfs/dbraw/zinc/07/98/79/495079879.db2.gz RUDQXDXOWYEQCY-UHFFFAOYSA-N -1 3 366.461 3.399 20 0 FGADHM CC1(C[N-]S(=O)(=O)c2ccc(F)cc2Br)CCCC1 ZINC000111618021 495090098 /nfs/dbraw/zinc/09/00/98/495090098.db2.gz RXWVVJPKIIPZPP-UHFFFAOYSA-N -1 3 350.253 3.447 20 0 FGADHM COc1c(C)cc(CN(C)C(=O)c2cc(NC(C)=O)ccc2[O-])cc1C ZINC000101680581 495091248 /nfs/dbraw/zinc/09/12/48/495091248.db2.gz OONKAQQJACZHAJ-UHFFFAOYSA-N -1 3 356.422 3.248 20 0 FGADHM COCCOc1cc(C(=O)Nc2cccc([O-])c2F)nc2ccccc21 ZINC000128455128 495099289 /nfs/dbraw/zinc/09/92/89/495099289.db2.gz LPAAUMBTCJYBOO-UHFFFAOYSA-N -1 3 356.353 3.357 20 0 FGADHM O=c1cc(CN2CCC3(CCC(O)CC3)CC2)nc(-c2ccccc2)[n-]1 ZINC000577596523 505761189 /nfs/dbraw/zinc/76/11/89/505761189.db2.gz IJVYHCIUSUSMII-UHFFFAOYSA-N -1 3 353.466 3.366 20 0 FGADHM Cc1cc(C)n(-c2ccccc2CNC(=O)NCc2ccc([O-])c(F)c2)n1 ZINC000128523513 495110832 /nfs/dbraw/zinc/11/08/32/495110832.db2.gz HWQGEFDZJOFZPQ-UHFFFAOYSA-N -1 3 368.412 3.333 20 0 FGADHM CC[C@H](C)[C@@](C)(O)C[N-]S(=O)(=O)c1ccc(-c2csc(C)n2)s1 ZINC000119195511 495115623 /nfs/dbraw/zinc/11/56/23/495115623.db2.gz SLOOQKJTOPWMFJ-BONVTDFDSA-N -1 3 374.553 3.255 20 0 FGADHM COC(=O)c1ccc(C(=O)[N-]c2nc(CN3CCC[C@H](C)C3)cs2)o1 ZINC000123389336 495125099 /nfs/dbraw/zinc/12/50/99/495125099.db2.gz LEIZXHHJETYBCL-NSHDSACASA-N -1 3 363.439 3.007 20 0 FGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)CCOc1ccc(C)cc1C ZINC000134288401 495130714 /nfs/dbraw/zinc/13/07/14/495130714.db2.gz HYXHRRNWFHSKGG-UHFFFAOYSA-N -1 3 360.410 3.438 20 0 FGADHM CCCCN(Cc1ccccc1Cl)C(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000102647367 495150258 /nfs/dbraw/zinc/15/02/58/495150258.db2.gz UFCKJKZZBAUINH-UHFFFAOYSA-N -1 3 361.873 3.412 20 0 FGADHM COc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C)c(NC(C)=O)c2)c1 ZINC000134455556 495152082 /nfs/dbraw/zinc/15/20/82/495152082.db2.gz CNHSLRHROHPSCF-UHFFFAOYSA-N -1 3 368.842 3.416 20 0 FGADHM CCCS(=O)(=O)[N-]c1ccc(C(=O)N2CCCc3ccccc32)cc1 ZINC000102749103 495158879 /nfs/dbraw/zinc/15/88/79/495158879.db2.gz PELHUUUGHKZGCV-UHFFFAOYSA-N -1 3 358.463 3.431 20 0 FGADHM C[C@@H](CNC(=O)NCc1ccc([O-])c(F)c1)c1nc(-c2ccccc2)no1 ZINC000134574519 495170295 /nfs/dbraw/zinc/17/02/95/495170295.db2.gz JAKLPJUIUNYXJE-LBPRGKRZSA-N -1 3 370.384 3.184 20 0 FGADHM CCc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])cc1F ZINC000123729788 495177845 /nfs/dbraw/zinc/17/78/45/495177845.db2.gz WTPMEQAHFCSBJP-KRWDZBQOSA-N -1 3 356.397 3.337 20 0 FGADHM O=C(CNC(=O)CC12CC3CC(CC(C3)C1)C2)Nc1cccc([O-])c1F ZINC000128996853 495179465 /nfs/dbraw/zinc/17/94/65/495179465.db2.gz KAQFLGBXUFXISS-UHFFFAOYSA-N -1 3 360.429 3.193 20 0 FGADHM O=C(N[C@H]1C=CCCC1)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000134649365 495181851 /nfs/dbraw/zinc/18/18/51/495181851.db2.gz ZBYWJWDDWDJDOI-HNNXBMFYSA-N -1 3 374.437 3.465 20 0 FGADHM CCc1ccc([C@H](COC)[N-]S(=O)(=O)C[C@@H](C)c2ccccc2)o1 ZINC000119545349 495187471 /nfs/dbraw/zinc/18/74/71/495187471.db2.gz MHFNFBOZGQOFPA-PBHICJAKSA-N -1 3 351.468 3.253 20 0 FGADHM NC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cc(F)ccc2Cl)c1 ZINC000103058275 495187786 /nfs/dbraw/zinc/18/77/86/495187786.db2.gz IOHCREZGSBKVOI-UHFFFAOYSA-N -1 3 363.197 3.032 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N[C@H]3CCOC4(CCCC4)C3)c[n-]c12 ZINC000123926796 495208228 /nfs/dbraw/zinc/20/82/28/495208228.db2.gz DUIYMYDHVKHGBX-AWEZNQCLSA-N -1 3 358.413 3.197 20 0 FGADHM Cc1cc(Br)ccc1C(=O)Nc1cc(-c2nccn2C)[n-]n1 ZINC000119645809 495209459 /nfs/dbraw/zinc/20/94/59/495209459.db2.gz DXOTZXYBIBEMIQ-UHFFFAOYSA-N -1 3 360.215 3.133 20 0 FGADHM Cc1cc(Br)ccc1C(=O)Nc1cc(-c2nccn2C)n[n-]1 ZINC000119645809 495209462 /nfs/dbraw/zinc/20/94/62/495209462.db2.gz DXOTZXYBIBEMIQ-UHFFFAOYSA-N -1 3 360.215 3.133 20 0 FGADHM 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ZINC000129689266 495281136 /nfs/dbraw/zinc/28/11/36/495281136.db2.gz QHWGZFSFRLJOKS-ZDUSSCGKSA-N -1 3 368.418 3.053 20 0 FGADHM CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1cccc([O-])c1F ZINC000129730552 495287176 /nfs/dbraw/zinc/28/71/76/495287176.db2.gz CDPFIEQASGKZJI-SUMWQHHRSA-N -1 3 370.424 3.469 20 0 FGADHM COc1ccc([O-])c(C(=O)N2CCN(c3ccc(F)cc3Cl)CC2)c1 ZINC000129764532 495292129 /nfs/dbraw/zinc/29/21/29/495292129.db2.gz ISTQSNYBWPTVPX-UHFFFAOYSA-N -1 3 364.804 3.156 20 0 FGADHM C[C@H]([N-]S(=O)(=O)Cc1ccccc1C(F)(F)F)c1nccs1 ZINC000113290192 495294079 /nfs/dbraw/zinc/29/40/79/495294079.db2.gz HUFZNTQBUXDHEX-VIFPVBQESA-N -1 3 350.387 3.343 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]CC(=O)Nc2ccc(C)cc2Cl)c(F)c1 ZINC000104739048 495301981 /nfs/dbraw/zinc/30/19/81/495301981.db2.gz OVSLARMMDFCFRU-UHFFFAOYSA-N -1 3 370.833 3.013 20 0 FGADHM O=C(N[C@H](c1ccc(Cl)cc1)C1CC1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000104836374 495309563 /nfs/dbraw/zinc/30/95/63/495309563.db2.gz RQUKLMXVNIEODD-INIZCTEOSA-N -1 3 354.793 3.105 20 0 FGADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)[C@H]1C[C@H]1c1ccccc1Cl ZINC000135566074 495312364 /nfs/dbraw/zinc/31/23/64/495312364.db2.gz IEOVGPNAMUKMRD-GJZGRUSLSA-N -1 3 353.813 3.186 20 0 FGADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)[C@H]1C[C@H]1c1ccccc1Cl ZINC000135566074 495312369 /nfs/dbraw/zinc/31/23/69/495312369.db2.gz IEOVGPNAMUKMRD-GJZGRUSLSA-N -1 3 353.813 3.186 20 0 FGADHM O=C(c1ccc[nH]1)c1cc(Cl)ccc1NC([O-])=NO[C@H]1CCCCO1 ZINC000120144788 495315472 /nfs/dbraw/zinc/31/54/72/495315472.db2.gz RCRBUMODOZJCFG-HNNXBMFYSA-N -1 3 363.801 3.479 20 0 FGADHM O=C([N-]O[C@H]1CCCCO1)Nc1ccc(Cl)cc1C(=O)c1ccc[nH]1 ZINC000120144788 495315478 /nfs/dbraw/zinc/31/54/78/495315478.db2.gz RCRBUMODOZJCFG-HNNXBMFYSA-N -1 3 363.801 3.479 20 0 FGADHM COc1cccc(C(=O)N2CCN(Cc3ccccc3)C(C)(C)C2)c1[O-] ZINC000104943076 495317391 /nfs/dbraw/zinc/31/73/91/495317391.db2.gz AQXMZJACHZGGGF-UHFFFAOYSA-N -1 3 354.450 3.137 20 0 FGADHM Cc1nc(S(=O)(=O)CCOCCC(C)C)[n-]c1Cc1ccccc1 ZINC000113636627 495323923 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Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)C1 ZINC000120784700 495456760 /nfs/dbraw/zinc/45/67/60/495456760.db2.gz HYLLGURBOZPNBM-KGLIPLIRSA-N -1 3 363.417 3.289 20 0 FGADHM O=C(NCc1ccc(COCC(F)(F)F)cc1)c1c([O-])cccc1O ZINC000125613004 495471068 /nfs/dbraw/zinc/47/10/68/495471068.db2.gz MSGSXCSWKMMWGQ-UHFFFAOYSA-N -1 3 355.312 3.107 20 0 FGADHM C[C@@H](c1ncc(C(C)(C)C)o1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000131021888 495480765 /nfs/dbraw/zinc/48/07/65/495480765.db2.gz GSHKGTFDYBYZHW-AWEZNQCLSA-N -1 3 357.454 3.197 20 0 FGADHM CC1(C)CCC(CC(=O)N2CCN(C(=O)c3cccc([O-])c3)CC2)CC1 ZINC000120912478 495484241 /nfs/dbraw/zinc/48/42/41/495484241.db2.gz PHBRNLCCVDCTIX-UHFFFAOYSA-N -1 3 358.482 3.283 20 0 FGADHM Cc1ccc(NCc2nc(C(F)(F)F)cc(=O)[n-]2)cc1N1CCOC1=O ZINC000125700369 495485369 /nfs/dbraw/zinc/48/53/69/495485369.db2.gz FRLDYLIUTHPZNT-UHFFFAOYSA-N -1 3 368.315 3.078 20 0 FGADHM CO[C@@](C)(C(=O)Nc1cccc(-c2nc(C)cc(=O)[n-]2)c1)c1ccccc1 ZINC000106743301 495491682 /nfs/dbraw/zinc/49/16/82/495491682.db2.gz AQELMRAUZLHEEW-OAQYLSRUSA-N -1 3 363.417 3.246 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)CCC1CC1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000120981270 495496280 /nfs/dbraw/zinc/49/62/80/495496280.db2.gz CLNRJMWPNDHAFB-SNVBAGLBSA-N -1 3 355.847 3.171 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)C(=O)Nc1cccc(Cl)c1Cl ZINC000121008025 495502381 /nfs/dbraw/zinc/50/23/81/495502381.db2.gz UQJHGURMMWTSRH-UHFFFAOYSA-N -1 3 357.168 3.093 20 0 FGADHM O=C(Nc1ccc(Br)cc1[O-])c1ccc(-c2ncon2)cc1 ZINC000107218844 495523661 /nfs/dbraw/zinc/52/36/61/495523661.db2.gz WVVOFCDJTMRPIM-UHFFFAOYSA-N -1 3 360.167 3.457 20 0 FGADHM COc1cc(F)c(S(=O)(=O)[N-]C[C@H](C)Cc2cccs2)cc1OC ZINC000173447740 495533841 /nfs/dbraw/zinc/53/38/41/495533841.db2.gz YSRWGWLDFVRNRJ-LLVKDONJSA-N -1 3 373.471 3.062 20 0 FGADHM CCCC[C@H](NC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)C1CCC1 ZINC000158541088 495534526 /nfs/dbraw/zinc/53/45/26/495534526.db2.gz LLWZATPXUZMTPI-HNNXBMFYSA-N -1 3 356.463 3.286 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]Cc2ccc(O)cc2)sc1Br ZINC000158563970 495539885 /nfs/dbraw/zinc/53/98/85/495539885.db2.gz UNUBCXHQSLAWNK-UHFFFAOYSA-N -1 3 362.270 3.003 20 0 FGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)Nc2ccc(F)cc2)cc1OC ZINC000144153148 495542088 /nfs/dbraw/zinc/54/20/88/495542088.db2.gz QLTQJZVMJCPCBD-UHFFFAOYSA-N -1 3 367.402 3.240 20 0 FGADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)c1cccc(O)c1 ZINC000182388391 495544415 /nfs/dbraw/zinc/54/44/15/495544415.db2.gz NZDYDFCTSWBZIZ-UHFFFAOYSA-N -1 3 374.340 3.035 20 0 FGADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000144959818 495550149 /nfs/dbraw/zinc/55/01/49/495550149.db2.gz OFGUHTJIYCUOAT-MRXNPFEDSA-N -1 3 369.808 3.496 20 0 FGADHM Cc1nc(C)c(CC(=O)N[C@@H](CC2CCCC2)c2ccccc2)c(=O)[n-]1 ZINC000154233401 495552501 /nfs/dbraw/zinc/55/25/01/495552501.db2.gz JGXOELZNQJFTON-IBGZPJMESA-N -1 3 353.466 3.367 20 0 FGADHM O=S(=O)([N-]C[C@H]1CCCO[C@H]1c1ccccc1)c1ccc(F)c(F)c1 ZINC000146341130 495565223 /nfs/dbraw/zinc/56/52/23/495565223.db2.gz JXQHTFMNDKCQLY-KDOFPFPSSA-N -1 3 367.417 3.411 20 0 FGADHM O=C(N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1cccc([O-])c1 ZINC000182449014 495567903 /nfs/dbraw/zinc/56/79/03/495567903.db2.gz SZMCLGBNGQZDNA-INIZCTEOSA-N -1 3 364.367 3.415 20 0 FGADHM O=C(Nc1ccccc1Cl)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000170706200 495574859 /nfs/dbraw/zinc/57/48/59/495574859.db2.gz FKQFMEOLOUFRMH-UHFFFAOYSA-N -1 3 359.813 3.036 20 0 FGADHM CCOC(=O)c1sc2[n-]c(Cc3ccc(F)c(F)c3)nc(=O)c2c1C ZINC000148380164 495584062 /nfs/dbraw/zinc/58/40/62/495584062.db2.gz BPEPMAJIVLXRIP-UHFFFAOYSA-N -1 3 364.373 3.339 20 0 FGADHM COC[C@H]([N-]S(=O)(=O)c1ccccc1C(F)(F)F)c1ccccc1 ZINC000170735867 495584342 /nfs/dbraw/zinc/58/43/42/495584342.db2.gz SWXSBKIEERZBCP-AWEZNQCLSA-N -1 3 359.369 3.371 20 0 FGADHM COc1ccc(C[C@H](C)C(=O)Nc2cccc(C(C)=O)c2[O-])cc1OC ZINC000571686029 505790704 /nfs/dbraw/zinc/79/07/04/505790704.db2.gz WRCFLDWZTUAAHN-LBPRGKRZSA-N -1 3 357.406 3.429 20 0 FGADHM O=C(NCCOc1ncc(C(F)(F)F)cc1Cl)c1cccc([O-])c1 ZINC000182501214 495588743 /nfs/dbraw/zinc/58/87/43/495588743.db2.gz FESVXJWSEBSHTB-UHFFFAOYSA-N -1 3 360.719 3.268 20 0 FGADHM CSC1(C[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)CCOCC1 ZINC000173569378 495592648 /nfs/dbraw/zinc/59/26/48/495592648.db2.gz AWBGCCBDJVBHMY-UHFFFAOYSA-N -1 3 370.323 3.184 20 0 FGADHM O=C(Nc1cccc(CNCc2cc([O-])cc(F)c2)c1)c1ccncc1 ZINC000185483867 495594334 /nfs/dbraw/zinc/59/43/34/495594334.db2.gz NYFIZMQTSGKFQJ-UHFFFAOYSA-N -1 3 351.381 3.468 20 0 FGADHM COc1ccccc1[C@@H](CC(C)C)NC(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000173584144 495598675 /nfs/dbraw/zinc/59/86/75/495598675.db2.gz VUOYFCZAQNUUAD-GOSISDBHSA-N -1 3 371.481 3.232 20 0 FGADHM O=C(NCCCNC(=O)C1(c2ccccc2)CCCC1)c1cccc([O-])c1 ZINC000154452792 495620726 /nfs/dbraw/zinc/62/07/26/495620726.db2.gz KSWRNCUPHUHGBJ-UHFFFAOYSA-N -1 3 366.461 3.140 20 0 FGADHM O=C(Cc1ccc(NCc2cc([O-])cc(F)c2)cc1)N1CCSCC1 ZINC000185593051 495635195 /nfs/dbraw/zinc/63/51/95/495635195.db2.gz KYXDJDBKZPNFSC-UHFFFAOYSA-N -1 3 360.454 3.261 20 0 FGADHM CCc1cc(=O)[n-]c(CSCC2CCN(C(=O)C(C)(C)C)CC2)n1 ZINC000185597018 495637522 /nfs/dbraw/zinc/63/75/22/495637522.db2.gz QFXSUMDSLPGIQN-UHFFFAOYSA-N -1 3 351.516 3.263 20 0 FGADHM COc1cc(Cl)c(S(=O)(=O)[N-]CCCOC(C)C)cc1Cl ZINC000170939310 495659831 /nfs/dbraw/zinc/65/98/31/495659831.db2.gz UDNJSPKMPVHGCZ-UHFFFAOYSA-N -1 3 356.271 3.095 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-]Cc1c(OC)ccc2ccccc21 ZINC000154583037 495661342 /nfs/dbraw/zinc/66/13/42/495661342.db2.gz FFBULKJSQOTGPL-UHFFFAOYSA-N -1 3 363.460 3.397 20 0 FGADHM O=C(Nc1cc(F)ccc1[O-])[C@H]1COc2ccc(Br)cc21 ZINC000179646861 495676192 /nfs/dbraw/zinc/67/61/92/495676192.db2.gz SZATZZSDQHIPSP-NSHDSACASA-N -1 3 352.159 3.409 20 0 FGADHM C[C@H](Cc1ccc(Br)cc1)NC(=O)c1cccc2nn[n-]c21 ZINC000182721209 495676732 /nfs/dbraw/zinc/67/67/32/495676732.db2.gz LPCKJKPCGQDRRF-SNVBAGLBSA-N -1 3 359.227 3.081 20 0 FGADHM C[C@H](Cc1ccc(Br)cc1)NC(=O)c1cccc2[n-]nnc21 ZINC000182721209 495676738 /nfs/dbraw/zinc/67/67/38/495676738.db2.gz LPCKJKPCGQDRRF-SNVBAGLBSA-N -1 3 359.227 3.081 20 0 FGADHM C[C@H](Cc1ccc(Br)cc1)NC(=O)c1cccc2n[n-]nc21 ZINC000182721209 495676741 /nfs/dbraw/zinc/67/67/41/495676741.db2.gz LPCKJKPCGQDRRF-SNVBAGLBSA-N -1 3 359.227 3.081 20 0 FGADHM CC[C@@H](c1ccc(F)cc1)S(=O)(=O)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000574543936 505797651 /nfs/dbraw/zinc/79/76/51/505797651.db2.gz ZEXGZIICSWVEHQ-HNNXBMFYSA-N -1 3 350.415 3.265 20 0 FGADHM CS(=O)(=O)c1ccc(F)c([N-]C(=O)c2ccc(F)c(Cl)c2F)c1 ZINC000182774561 495697823 /nfs/dbraw/zinc/69/78/23/495697823.db2.gz BAAXIEORNUYHCF-UHFFFAOYSA-N -1 3 363.744 3.413 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]c2cc(C(=O)N(C)C)ccc2Cl)c(C)o1 ZINC000182778298 495698759 /nfs/dbraw/zinc/69/87/59/495698759.db2.gz WKXNLWGQTIVWLQ-UHFFFAOYSA-N -1 3 356.831 3.052 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)c3cc(C)n(C4CC4)c3C)[n-]c21 ZINC000159297495 495704549 /nfs/dbraw/zinc/70/45/49/495704549.db2.gz DCTZXPZNILXJMY-UHFFFAOYSA-N -1 3 352.394 3.355 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cc(C)n(C4CC4)c3C)nc21 ZINC000159297495 495704558 /nfs/dbraw/zinc/70/45/58/495704558.db2.gz DCTZXPZNILXJMY-UHFFFAOYSA-N -1 3 352.394 3.355 20 0 FGADHM CCC(CC)(CC)CNC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000154720485 495706301 /nfs/dbraw/zinc/70/63/01/495706301.db2.gz TVFMRDSVGKHVTE-UHFFFAOYSA-N -1 3 361.486 3.076 20 0 FGADHM CC(C)OCCCC[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000185746496 495707554 /nfs/dbraw/zinc/70/75/54/495707554.db2.gz SFMXGEVERKEADQ-UHFFFAOYSA-N -1 3 368.268 3.072 20 0 FGADHM O=S(=O)(Cc1noc2ccccc21)[N-][C@H](c1ccccc1)[C@H]1CCCO1 ZINC000185751044 495710178 /nfs/dbraw/zinc/71/01/78/495710178.db2.gz BSZMCJKQLRSJKG-RTBURBONSA-N -1 3 372.446 3.168 20 0 FGADHM Cc1nncn1-c1cccc([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)c1 ZINC000179752576 495718260 /nfs/dbraw/zinc/71/82/60/495718260.db2.gz LQLJUEIXHAUKCK-UHFFFAOYSA-N -1 3 372.450 3.164 20 0 FGADHM Cc1coc2ccc(NC(=O)[C@H](C)[N-]S(=O)(=O)c3cccs3)cc12 ZINC000185802630 495730647 /nfs/dbraw/zinc/73/06/47/495730647.db2.gz OPAHGFHNSDLJFX-NSHDSACASA-N -1 3 364.448 3.108 20 0 FGADHM COc1cccc(C(=O)N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c1[O-] ZINC000182863223 495732500 /nfs/dbraw/zinc/73/25/00/495732500.db2.gz SWZBPDLOGPQTSE-NSHDSACASA-N -1 3 369.343 3.093 20 0 FGADHM Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)c1ccc(OCC2CC2)c(F)c1 ZINC000151107457 495739782 /nfs/dbraw/zinc/73/97/82/495739782.db2.gz RJKSIVSSLAISIC-SNVBAGLBSA-N -1 3 368.430 3.259 20 0 FGADHM C[C@H](Sc1nncn1C)C(=O)Nc1cc(Cc2ccccc2)ccc1[O-] ZINC000179807920 495742493 /nfs/dbraw/zinc/74/24/93/495742493.db2.gz DCUXGXRSXMCLKG-ZDUSSCGKSA-N -1 3 368.462 3.231 20 0 FGADHM COc1c(C(=O)Nc2cc(Cc3ccccc3)ccc2[O-])c(C)nn1C ZINC000179808641 495742698 /nfs/dbraw/zinc/74/26/98/495742698.db2.gz NZGJYECOGANVMN-UHFFFAOYSA-N -1 3 351.406 3.286 20 0 FGADHM CCC[C@H]1C[C@H](C(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)CCO1 ZINC000182916215 495757179 /nfs/dbraw/zinc/75/71/79/495757179.db2.gz HGFQJCXNOHTIJV-SJORKVTESA-N -1 3 374.481 3.165 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3ccc(-c4nc[nH]n4)cc3)c[n-]c12 ZINC000151181375 495763813 /nfs/dbraw/zinc/76/38/13/495763813.db2.gz KNSFTBZALUAQQG-UHFFFAOYSA-N -1 3 363.352 3.013 20 0 FGADHM C[C@H](CSc1nnc([N-]c2ccccc2F)s1)CS(C)(=O)=O ZINC000154915072 495770580 /nfs/dbraw/zinc/77/05/80/495770580.db2.gz QFSMGBKEVOXKLB-SECBINFHSA-N -1 3 361.489 3.194 20 0 FGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)c2nccc3ccccc32)c1 ZINC000173982012 495775438 /nfs/dbraw/zinc/77/54/38/495775438.db2.gz UMPUEFDWGCUIJU-UHFFFAOYSA-N -1 3 355.419 3.167 20 0 FGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)CCc2cccc(F)c2F)c1 ZINC000173981919 495775468 /nfs/dbraw/zinc/77/54/68/495775468.db2.gz VSMVZHQVNWHYMV-UHFFFAOYSA-N -1 3 368.405 3.216 20 0 FGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)Cc2c[nH]c3cccc(C)c23)c1 ZINC000173983591 495775630 /nfs/dbraw/zinc/77/56/30/495775630.db2.gz FJHBCYXFHPSUIW-UHFFFAOYSA-N -1 3 371.462 3.337 20 0 FGADHM Cc1cccc(O[C@H](C)C(=O)Nc2cc(C)ccc2[N-]S(C)(=O)=O)c1 ZINC000173984990 495777177 /nfs/dbraw/zinc/77/71/77/495777177.db2.gz RYSHVUSLLKPPSN-CQSZACIVSA-N -1 3 362.451 3.081 20 0 FGADHM CCN(CC)[C@H](C[N-]S(=O)(=O)c1sccc1OC)c1ccsc1 ZINC000154945188 495781752 /nfs/dbraw/zinc/78/17/52/495781752.db2.gz PDBZSHHKHOQYFN-CYBMUJFWSA-N -1 3 374.553 3.180 20 0 FGADHM Cc1ccc(CC(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)s1 ZINC000151246919 495782691 /nfs/dbraw/zinc/78/26/91/495782691.db2.gz YPFCQBJFENDDNA-UHFFFAOYSA-N -1 3 358.463 3.182 20 0 FGADHM C[C@H](CC(=O)Nc1ccccc1[N-]S(C)(=O)=O)c1ccc(F)cc1F ZINC000154994629 495798117 /nfs/dbraw/zinc/79/81/17/495798117.db2.gz ZOGSKUCWFCVHKE-LLVKDONJSA-N -1 3 368.405 3.469 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)Cc1ccc(F)cc1)c1nc(C2CCCCC2)no1 ZINC000174066746 495808371 /nfs/dbraw/zinc/80/83/71/495808371.db2.gz QPRFNIOVFFMDGE-GFCCVEGCSA-N -1 3 367.446 3.437 20 0 FGADHM Cc1nn(-c2ccccc2)cc1C[N-]S(=O)(=O)c1cc(C)ccc1F ZINC000183041875 495810084 /nfs/dbraw/zinc/81/00/84/495810084.db2.gz PVXWIDLDURUAGR-UHFFFAOYSA-N -1 3 359.426 3.107 20 0 FGADHM Cc1ccc(-n2cnnc2SCC(=O)Nc2c(C)cccc2[O-])cc1 ZINC000183048431 495812505 /nfs/dbraw/zinc/81/25/05/495812505.db2.gz PSLZEFDLCHQRPJ-UHFFFAOYSA-N -1 3 354.435 3.321 20 0 FGADHM Cc1cccc([O-])c1NC(=O)C[C@H](C)S(=O)(=O)c1ccc(F)cc1 ZINC000183047243 495812517 /nfs/dbraw/zinc/81/25/17/495812517.db2.gz OSGQNRXPWKPCPF-LBPRGKRZSA-N -1 3 351.399 3.031 20 0 FGADHM CCc1cccc2c(CCNC(=O)c3cc(OC)c([O-])c(OC)c3)c[nH]c21 ZINC000155046683 495815771 /nfs/dbraw/zinc/81/57/71/495815771.db2.gz GIRIKDUMEYNMTB-UHFFFAOYSA-N -1 3 368.433 3.426 20 0 FGADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCc3cnn(C(C)C)c3C2)sc1Cl ZINC000574573745 505805724 /nfs/dbraw/zinc/80/57/24/505805724.db2.gz ICBZIFAINFKPMT-GFCCVEGCSA-N -1 3 373.931 3.323 20 0 FGADHM O=C(c1ccc2c(c1[O-])CCCC2)N1CCC(OC[C@@H]2CCCO2)CC1 ZINC000183070724 495821880 /nfs/dbraw/zinc/82/18/80/495821880.db2.gz LDPYNWLCDKJSFK-KRWDZBQOSA-N -1 3 359.466 3.071 20 0 FGADHM COc1ccc(C)cc1N1C[C@H](C(=O)Nc2c(C)cccc2[O-])CC1=O ZINC000183075191 495824448 /nfs/dbraw/zinc/82/44/48/495824448.db2.gz YADHMHZUQYVTCP-CQSZACIVSA-N -1 3 354.406 3.009 20 0 FGADHM N=c1nc(N2CC=C(c3ccc(Cl)c(Cl)c3)CC2)nc2[nH][n-]cc1-2 ZINC000580654435 505806560 /nfs/dbraw/zinc/80/65/60/505806560.db2.gz YPZPNSMNHXOMLO-UHFFFAOYSA-N -1 3 361.236 3.318 20 0 FGADHM COc1ccc(Br)cc1CC(=O)NCc1ccc([O-])c(F)c1 ZINC000174208403 495863867 /nfs/dbraw/zinc/86/38/67/495863867.db2.gz NQULQGVRFQVCAY-UHFFFAOYSA-N -1 3 368.202 3.161 20 0 FGADHM C[C@]1(C(=O)NCc2ccc([O-])c(F)c2)CCCN(C(=O)c2ccccc2)C1 ZINC000174210379 495865311 /nfs/dbraw/zinc/86/53/11/495865311.db2.gz VKRXFYNLSUAXRE-NRFANRHFSA-N -1 3 370.424 3.090 20 0 FGADHM CC(C)c1nn(C)c(Cl)c1C(=O)[N-]c1nnc(-c2ccccn2)s1 ZINC000151543427 495872760 /nfs/dbraw/zinc/87/27/60/495872760.db2.gz PEPHYMPCLKKTPQ-UHFFFAOYSA-N -1 3 362.846 3.363 20 0 FGADHM O=C(NCc1ccc([O-])c(Br)c1)C1C[C@H]2CCC[C@@H](C1)C2=O ZINC000151549860 495874845 /nfs/dbraw/zinc/87/48/45/495874845.db2.gz ZTBXCJXWCIDWKK-FUNVUKJBSA-N -1 3 366.255 3.166 20 0 FGADHM CC(C)n1cnc(S(=O)(=O)[N-][C@H]2CCSc3ccc(F)cc32)c1 ZINC000151591202 495888097 /nfs/dbraw/zinc/88/80/97/495888097.db2.gz SKSVKRNAUQYQPY-ZDUSSCGKSA-N -1 3 355.460 3.119 20 0 FGADHM O=C(Nc1ccc([O-])cc1F)[C@H]1COc2ccc(Br)cc21 ZINC000183247302 495898202 /nfs/dbraw/zinc/89/82/02/495898202.db2.gz QDTQCLHCHSUFBB-NSHDSACASA-N -1 3 352.159 3.409 20 0 FGADHM Cc1cc(C(=O)CSc2n[n-]c(COc3ccc(Cl)cc3)n2)on1 ZINC000186220629 495901408 /nfs/dbraw/zinc/90/14/08/495901408.db2.gz QSFQXISJZLLLNW-UHFFFAOYSA-N -1 3 364.814 3.309 20 0 FGADHM COc1ccc(C)cc1NC(=O)[C@H]1CCCN1Cc1cc([O-])cc(F)c1 ZINC000186232160 495906477 /nfs/dbraw/zinc/90/64/77/495906477.db2.gz HEQDADXFKJZSOZ-GOSISDBHSA-N -1 3 358.413 3.451 20 0 FGADHM C[C@@H](CNC(=O)c1cc(F)c(F)c([O-])c1F)N(C)Cc1ccccc1 ZINC000186282478 495927400 /nfs/dbraw/zinc/92/74/00/495927400.db2.gz RXZVNWTXFZDMTO-NSHDSACASA-N -1 3 352.356 3.060 20 0 FGADHM COc1ccccc1[C@H]([N-]S(=O)(=O)c1cc(C)oc1C)c1ccccn1 ZINC000183331348 495933833 /nfs/dbraw/zinc/93/38/33/495933833.db2.gz IQOZZXHUBDYPIL-IBGZPJMESA-N -1 3 372.446 3.368 20 0 FGADHM C[C@@H]1CCN(C(=O)c2cccc3c2O[C@H](C)C(=O)N3)c2c([O-])cccc21 ZINC000186319652 495945987 /nfs/dbraw/zinc/94/59/87/495945987.db2.gz AJVWWINENLTTQG-VXGBXAGGSA-N -1 3 352.390 3.266 20 0 FGADHM CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1Cc1ncccc1[O-] ZINC000577900786 505814491 /nfs/dbraw/zinc/81/44/91/505814491.db2.gz NSYVUSWMQYTZHQ-JXFKEZNVSA-N -1 3 354.498 3.223 20 0 FGADHM C[C@H](CCC1CCCCC1)NC(=O)c1cccc([C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000151928254 495994939 /nfs/dbraw/zinc/99/49/39/495994939.db2.gz NYERQEFELXOJDV-SZNDQCEHSA-N -1 3 371.481 3.220 20 0 FGADHM CC(C)CC[C@@H](NC(=O)c1cccc([C@]2(C)NC(=O)[N-]C2=O)c1)C(C)(C)C ZINC000151991493 496015087 /nfs/dbraw/zinc/01/50/87/496015087.db2.gz HZPROTNRQXRUKT-IERDGZPVSA-N -1 3 373.497 3.322 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3cccc(C[S@@](C)=O)c3)c[n-]c12 ZINC000151998353 496016830 /nfs/dbraw/zinc/01/68/30/496016830.db2.gz FEVSOSIHMDYNNI-SANMLTNESA-N -1 3 372.421 3.106 20 0 FGADHM CCn1cnc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)c1 ZINC000574628180 505818771 /nfs/dbraw/zinc/81/87/71/505818771.db2.gz GDTRUQQEOXPWHD-GXFFZTMASA-N -1 3 360.266 3.044 20 0 FGADHM CN1CCC(N(Cc2ccco2)C(=O)c2cc(F)c([O-])c(F)c2)CC1 ZINC000183612236 496048985 /nfs/dbraw/zinc/04/89/85/496048985.db2.gz LAYSYDWPYCETLK-UHFFFAOYSA-N -1 3 350.365 3.000 20 0 FGADHM Cc1cc(N2CCOCC2)ccc1[N-]S(=O)(=O)c1cccc(F)c1C ZINC000174674064 496056003 /nfs/dbraw/zinc/05/60/03/496056003.db2.gz GZLKRTHFOXPZRS-UHFFFAOYSA-N -1 3 364.442 3.080 20 0 FGADHM Cc1ccc(F)c(S(=O)(=O)[N-]Cc2nc3ccccc3n2C2CC2)c1 ZINC000183638904 496058395 /nfs/dbraw/zinc/05/83/95/496058395.db2.gz INJWERWMFLHKIV-UHFFFAOYSA-N -1 3 359.426 3.297 20 0 FGADHM CC1(C)CCC[C@H](CC(=O)N2CCN(C(=O)c3cccc([O-])c3)CC2)C1 ZINC000155796959 496070693 /nfs/dbraw/zinc/07/06/93/496070693.db2.gz RGFOVCCIWZWURV-MRXNPFEDSA-N -1 3 358.482 3.283 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)[C@@H]3COc4cc(C)c(C)cc43)[n-]c21 ZINC000186609431 496071831 /nfs/dbraw/zinc/07/18/31/496071831.db2.gz WYEVQBYPDSAZOK-CQSZACIVSA-N -1 3 365.389 3.081 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@@H]3COc4cc(C)c(C)cc43)nc21 ZINC000186609431 496071833 /nfs/dbraw/zinc/07/18/33/496071833.db2.gz WYEVQBYPDSAZOK-CQSZACIVSA-N -1 3 365.389 3.081 20 0 FGADHM COc1ccc(CCCN(C)C(=O)c2c[n-]c3ccccc3c2=O)cc1 ZINC000155838416 496083932 /nfs/dbraw/zinc/08/39/32/496083932.db2.gz PNMPFBFZSQJJGO-UHFFFAOYSA-N -1 3 350.418 3.242 20 0 FGADHM O=C(NCCC[C@@H]1CCCCO1)NCc1ccc([O-])c(Br)c1 ZINC000186640131 496085717 /nfs/dbraw/zinc/08/57/17/496085717.db2.gz VIFKSNOOBKJKNA-ZDUSSCGKSA-N -1 3 371.275 3.303 20 0 FGADHM CC(C)C[C@@H](CO)N(C)C(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000186662112 496096127 /nfs/dbraw/zinc/09/61/27/496096127.db2.gz KEMNOBAWXWXPEE-KRWDZBQOSA-N -1 3 357.450 3.450 20 0 FGADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(OCC3CC3)cc2)cc1 ZINC000171955849 496108193 /nfs/dbraw/zinc/10/81/93/496108193.db2.gz ZDQZOUZHJNLJJR-UHFFFAOYSA-N -1 3 360.435 3.235 20 0 FGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@H]1CC[C@H](C)C[C@@H]1C ZINC000171985786 496118515 /nfs/dbraw/zinc/11/85/15/496118515.db2.gz BMUQBIIMWVAXNQ-DEYYWGMASA-N -1 3 368.481 3.014 20 0 FGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H](C)c2ncc(C)s2)c1 ZINC000186736351 496129450 /nfs/dbraw/zinc/12/94/50/496129450.db2.gz CGBFRKCEXGZMFC-VIFPVBQESA-N -1 3 360.888 3.196 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-][C@@H](c1ccccc1)c1ccncc1 ZINC000156077567 496151489 /nfs/dbraw/zinc/15/14/89/496151489.db2.gz BVMJUXIKJSOWHJ-INIZCTEOSA-N -1 3 360.460 3.220 20 0 FGADHM CCCN(C[C@@H]1CCCCO1)C(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000156083563 496153304 /nfs/dbraw/zinc/15/33/04/496153304.db2.gz VOOOPWUZLPCGQL-HNNXBMFYSA-N -1 3 360.429 3.397 20 0 FGADHM CCCN(C[C@H]1CCCCO1)C(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000156083695 496153865 /nfs/dbraw/zinc/15/38/65/496153865.db2.gz VOOOPWUZLPCGQL-OAHLLOKOSA-N -1 3 360.429 3.397 20 0 FGADHM CCSc1cccc(NC(=O)CC[N-]S(=O)(=O)c2cccs2)c1 ZINC000172140695 496182148 /nfs/dbraw/zinc/18/21/48/496182148.db2.gz ZHHYCBNNFXHXFE-UHFFFAOYSA-N -1 3 370.521 3.167 20 0 FGADHM CC(C)Cn1cnc(S(=O)(=O)[N-][C@H](c2ccccc2)c2ccncc2)c1 ZINC000174989615 496196063 /nfs/dbraw/zinc/19/60/63/496196063.db2.gz JFLKNFMYKAJZNN-LJQANCHMSA-N -1 3 370.478 3.002 20 0 FGADHM O=C(c1c[n-]c2ccccc2c1=O)N1CCO[C@H](c2ccc(F)cc2F)C1 ZINC000186893320 496198173 /nfs/dbraw/zinc/19/81/73/496198173.db2.gz QDADRXAZIPVQAU-SFHVURJKSA-N -1 3 370.355 3.020 20 0 FGADHM CCOC(=O)c1cc(NC(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)n[n-]1 ZINC000180934735 496206369 /nfs/dbraw/zinc/20/63/69/496206369.db2.gz ZJXDNVVDHVPWRP-LBPRGKRZSA-N -1 3 367.405 3.490 20 0 FGADHM CCOC(=O)c1cc(NC(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)[n-]n1 ZINC000180934735 496206374 /nfs/dbraw/zinc/20/63/74/496206374.db2.gz ZJXDNVVDHVPWRP-LBPRGKRZSA-N -1 3 367.405 3.490 20 0 FGADHM CCOC(=O)c1cc(NC(=O)CCC(=O)c2ccc3c(c2)CCCC3)n[n-]1 ZINC000180939888 496208881 /nfs/dbraw/zinc/20/88/81/496208881.db2.gz ZXEDWYTYJYMWSK-UHFFFAOYSA-N -1 3 369.421 3.067 20 0 FGADHM CCOC(=O)c1cc(NC(=O)CCC(=O)c2ccc3c(c2)CCCC3)[n-]n1 ZINC000180939888 496208885 /nfs/dbraw/zinc/20/88/85/496208885.db2.gz ZXEDWYTYJYMWSK-UHFFFAOYSA-N -1 3 369.421 3.067 20 0 FGADHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(-n3ccnc3)c2)c(C)c1 ZINC000172212785 496210902 /nfs/dbraw/zinc/21/09/02/496210902.db2.gz WIHZOSSIXDHWKX-UHFFFAOYSA-N -1 3 357.435 3.380 20 0 FGADHM O=[S@@](Cc1nc(-c2cc(F)c(F)c(F)c2)no1)c1cccc([O-])c1 ZINC000184049697 496218802 /nfs/dbraw/zinc/21/88/02/496218802.db2.gz DSYBUYYIFGLBMN-DEOSSOPVSA-N -1 3 354.309 3.167 20 0 FGADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N(C)CCC3CC3)cs2)c1 ZINC000184065502 496224898 /nfs/dbraw/zinc/22/48/98/496224898.db2.gz HJKCZWBQFSKMKK-UHFFFAOYSA-N -1 3 373.478 3.210 20 0 FGADHM CC1(CO)CCN(Cc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)CC1 ZINC000186956321 496228630 /nfs/dbraw/zinc/22/86/30/496228630.db2.gz AHEZTGGQVLXYIA-UHFFFAOYSA-N -1 3 369.490 3.246 20 0 FGADHM CC(C)CO[N-]C(=O)CCC[S@](=O)c1ccc(Br)cc1 ZINC000156421945 496241450 /nfs/dbraw/zinc/24/14/50/496241450.db2.gz KMTXVXQMVMMWRJ-HXUWFJFHSA-N -1 3 362.289 3.041 20 0 FGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)CCC(=O)c1ccc(C)s1 ZINC000181016485 496242252 /nfs/dbraw/zinc/24/22/52/496242252.db2.gz ARTHEULCOZLMDJ-UHFFFAOYSA-N -1 3 364.423 3.385 20 0 FGADHM Cc1ccc(CS(=O)(=O)[N-][C@H](c2nc(C3CC3)no2)C(C)C)cc1F ZINC000184136647 496253548 /nfs/dbraw/zinc/25/35/48/496253548.db2.gz YFXSJQVNEAQBKZ-HNNXBMFYSA-N -1 3 367.446 3.211 20 0 FGADHM C[C@H](NC(=O)[C@H](C)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1)c1cccc2ccccc21 ZINC000574691189 505832873 /nfs/dbraw/zinc/83/28/73/505832873.db2.gz RRLKNEZGAFKFLM-OLPIVMHESA-N -1 3 368.477 3.448 20 0 FGADHM O=S(=O)(C[C@H]1CCCO1)[N-]c1ccc(Oc2ccc(Cl)cc2)nc1 ZINC000172367343 496270812 /nfs/dbraw/zinc/27/08/12/496270812.db2.gz IQIJINLRMBXCIC-OAHLLOKOSA-N -1 3 368.842 3.448 20 0 FGADHM CCc1ccc([C@H](CO)[N-]S(=O)(=O)c2cc(F)ccc2Cl)cc1 ZINC000156535715 496272317 /nfs/dbraw/zinc/27/23/17/496272317.db2.gz BMEOHANWURRXGJ-HNNXBMFYSA-N -1 3 357.834 3.053 20 0 FGADHM CC[C@H]1CCCC[C@@H]1OCC(=O)Nc1cc(C)ccc1[N-]S(C)(=O)=O ZINC000184184658 496276244 /nfs/dbraw/zinc/27/62/44/496276244.db2.gz ZRCVBHHWKLGVPW-YOEHRIQHSA-N -1 3 368.499 3.290 20 0 FGADHM O=C(NCCNC(=O)C1(c2cccs2)CCCCC1)c1ccc([O-])cc1 ZINC000156550328 496276435 /nfs/dbraw/zinc/27/64/35/496276435.db2.gz VMRVEQAZEMQMJJ-UHFFFAOYSA-N -1 3 372.490 3.202 20 0 FGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@H](C)CCC(C)(C)C ZINC000172387842 496278547 /nfs/dbraw/zinc/27/85/47/496278547.db2.gz GWIDTCOGLNEGDO-CQSZACIVSA-N -1 3 370.497 3.404 20 0 FGADHM C[C@H](NC(=O)c1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1)[C@@H](C)C1CCCCC1 ZINC000178001801 496282869 /nfs/dbraw/zinc/28/28/69/496282869.db2.gz CWZVURBOPQFKAL-HKZYLEAXSA-N -1 3 371.481 3.076 20 0 FGADHM COc1ccc2[nH]cc(C3=CCN(C(=O)c4cccc5[n-]nnc54)CC3)c2c1 ZINC000187139777 496310226 /nfs/dbraw/zinc/31/02/26/496310226.db2.gz AFIJRRDCVBUKCA-UHFFFAOYSA-N -1 3 373.416 3.377 20 0 FGADHM COc1ccc2[nH]cc(C3=CCN(C(=O)c4cccc5nn[n-]c54)CC3)c2c1 ZINC000187139777 496310231 /nfs/dbraw/zinc/31/02/31/496310231.db2.gz AFIJRRDCVBUKCA-UHFFFAOYSA-N -1 3 373.416 3.377 20 0 FGADHM COc1ccc2[nH]cc(C3=CCN(C(=O)c4cccc5n[n-]nc54)CC3)c2c1 ZINC000187139777 496310235 /nfs/dbraw/zinc/31/02/35/496310235.db2.gz AFIJRRDCVBUKCA-UHFFFAOYSA-N -1 3 373.416 3.377 20 0 FGADHM CCCN(CCN(C)C)C(=O)c1cc(Br)cc(Cl)c1[O-] ZINC000156717846 496318679 /nfs/dbraw/zinc/31/86/79/496318679.db2.gz WTGCYWBIQPGNJU-UHFFFAOYSA-N -1 3 363.683 3.222 20 0 FGADHM COC(=O)Cc1nnc(NC(=O)c2cc3sc4ccccc4c3s2)[n-]1 ZINC000172516329 496323629 /nfs/dbraw/zinc/32/36/29/496323629.db2.gz PREMTMJSOCACKW-UHFFFAOYSA-N -1 3 372.431 3.202 20 0 FGADHM CC(=O)Nc1ccc(F)c([N-]S(=O)(=O)c2ccc3ncccc3c2)c1 ZINC000569046204 505837714 /nfs/dbraw/zinc/83/77/14/505837714.db2.gz SBVIPAYCWWAMGY-UHFFFAOYSA-N -1 3 359.382 3.133 20 0 FGADHM Cc1cc(C(=O)[N-]c2nnc(C34CC5CC(CC(C5)C3)C4)s2)ncn1 ZINC000156795776 496335968 /nfs/dbraw/zinc/33/59/68/496335968.db2.gz RDXDOWYSZNGOTP-UHFFFAOYSA-N -1 3 355.467 3.357 20 0 FGADHM CCOCCC1(C[N-]S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000156813456 496339593 /nfs/dbraw/zinc/33/95/93/496339593.db2.gz ZIOFRBGQQOVRLL-UHFFFAOYSA-N -1 3 352.283 3.479 20 0 FGADHM CCOC(=O)C[C@@H](C)N(C)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000184352323 496348238 /nfs/dbraw/zinc/34/82/38/496348238.db2.gz OHFRSODUVHHJOC-OAHLLOKOSA-N -1 3 355.434 3.397 20 0 FGADHM COc1cccc(C(=O)Nc2c(C)cnn2Cc2ccccc2F)c1[O-] ZINC000187227556 496349831 /nfs/dbraw/zinc/34/98/31/496349831.db2.gz JERDBEOWGDVIQF-UHFFFAOYSA-N -1 3 355.369 3.345 20 0 FGADHM CN(C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)C1CCCC1 ZINC000172584951 496352355 /nfs/dbraw/zinc/35/23/55/496352355.db2.gz QZKVNRSUZKANHA-UHFFFAOYSA-N -1 3 371.478 3.309 20 0 FGADHM CSc1ccc(Cl)c(C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)c1 ZINC000178188498 496362915 /nfs/dbraw/zinc/36/29/15/496362915.db2.gz YQGYLTORRVYTSI-UHFFFAOYSA-N -1 3 359.842 3.418 20 0 FGADHM CSc1ccc(Cl)c(C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)c1 ZINC000178188498 496362922 /nfs/dbraw/zinc/36/29/22/496362922.db2.gz YQGYLTORRVYTSI-UHFFFAOYSA-N -1 3 359.842 3.418 20 0 FGADHM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(-c4ncc[nH]4)cc3)ccc2O1 ZINC000178191583 496363833 /nfs/dbraw/zinc/36/38/33/496363833.db2.gz FHAOCZRVABCVFT-GFCCVEGCSA-N -1 3 355.419 3.201 20 0 FGADHM CC1(C)[C@H](NC(=O)c2ccc(C(=O)c3cccc([O-])c3)cc2)[C@@H]2CCO[C@@H]21 ZINC000187261379 496366229 /nfs/dbraw/zinc/36/62/29/496366229.db2.gz OYEHPIMMWNCKFB-SXLOBPIMSA-N -1 3 365.429 3.167 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)CCc3ccc(F)cc3F)[n-]c21 ZINC000162537019 496369004 /nfs/dbraw/zinc/36/90/04/496369004.db2.gz DYOHOPUJBMJQPK-UHFFFAOYSA-N -1 3 359.332 3.199 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)CCc3ccc(F)cc3F)nc21 ZINC000162537019 496369007 /nfs/dbraw/zinc/36/90/07/496369007.db2.gz DYOHOPUJBMJQPK-UHFFFAOYSA-N -1 3 359.332 3.199 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)C(=O)Nc1ccc2c3c(cccc31)CC2 ZINC000172657144 496376725 /nfs/dbraw/zinc/37/67/25/496376725.db2.gz FJTGPXIBFBRSKJ-UHFFFAOYSA-N -1 3 364.376 3.038 20 0 FGADHM Cc1onc(-c2ccccc2Cl)c1C(=O)[N-]c1nnc2n1CCCC2 ZINC000162621044 496385128 /nfs/dbraw/zinc/38/51/28/496385128.db2.gz VSWFSOHAJOAPRK-UHFFFAOYSA-N -1 3 357.801 3.484 20 0 FGADHM CCOc1ccc(-c2noc(CCC(=O)[N-]OCCC(F)(F)F)n2)cc1 ZINC000162862060 496424462 /nfs/dbraw/zinc/42/44/62/496424462.db2.gz NSFMOWNZPCYYDO-UHFFFAOYSA-N -1 3 373.331 3.068 20 0 FGADHM O=C(N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1)c1cccc([O-])c1 ZINC000187430570 496437789 /nfs/dbraw/zinc/43/77/89/496437789.db2.gz YSORYFZKYCGAKI-CYBMUJFWSA-N -1 3 350.340 3.420 20 0 FGADHM COc1cc(C(=O)[N-]c2nc3ccccc3n2-c2cccc(OC)c2)on1 ZINC000153403352 496444574 /nfs/dbraw/zinc/44/45/74/496444574.db2.gz SVDGRKMSLVFOCT-UHFFFAOYSA-N -1 3 364.361 3.283 20 0 FGADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@H](C)[C@@H](N)c3ccccc3)cc2)n1 ZINC000153413520 496448087 /nfs/dbraw/zinc/44/80/87/496448087.db2.gz XNKQZYGRPUVPSF-AUUYWEPGSA-N -1 3 362.433 3.020 20 0 FGADHM Cc1cnc(C[N-]S(=O)(=O)c2ccc(OCC3CCCCC3)cc2)o1 ZINC000175603152 496460712 /nfs/dbraw/zinc/46/07/12/496460712.db2.gz OBCNJKHFGBYPGY-UHFFFAOYSA-N -1 3 364.467 3.421 20 0 FGADHM CC(C)C(=O)Nc1nc(CC(=O)Nc2ccc(Cl)cc2[O-])cs1 ZINC000153454964 496461165 /nfs/dbraw/zinc/46/11/65/496461165.db2.gz DHDTZOVNIMOGTL-UHFFFAOYSA-N -1 3 353.831 3.278 20 0 FGADHM O=S(=O)([N-][C@H]1CCO[C@H]1c1ccc(Cl)cc1)c1ccc(F)c(F)c1 ZINC000181597853 496463034 /nfs/dbraw/zinc/46/30/34/496463034.db2.gz SNNIBMDJVZDNIZ-HOTGVXAUSA-N -1 3 373.808 3.427 20 0 FGADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@H](C)c1cccc(Cl)c1 ZINC000178495732 496475045 /nfs/dbraw/zinc/47/50/45/496475045.db2.gz CLMIQYHIZXUYET-SNVBAGLBSA-N -1 3 371.817 3.305 20 0 FGADHM Cn1cc2c(n1)ncnc2[N-]c1nc(-c2ccc3c(c2)CCO3)cs1 ZINC000163184849 496478203 /nfs/dbraw/zinc/47/82/03/496478203.db2.gz SZVRVHICYVHEEI-UHFFFAOYSA-N -1 3 350.407 3.165 20 0 FGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@@H](CCO)C(C)(C)C)cc1Cl ZINC000178566079 496501324 /nfs/dbraw/zinc/50/13/24/496501324.db2.gz PIKJGXCQRZPOKF-ZDUSSCGKSA-N -1 3 370.298 3.077 20 0 FGADHM CCC[C@@H](C)CS(=O)(=O)[N-][C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000175706277 496508250 /nfs/dbraw/zinc/50/82/50/496508250.db2.gz HFGMTYLHGBVFDG-KGLIPLIRSA-N -1 3 351.472 3.077 20 0 FGADHM COC(=O)[C@H](C)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)s1)c1ccccc1 ZINC000175704902 496508321 /nfs/dbraw/zinc/50/83/21/496508321.db2.gz JRTISNDOQTZIDG-QMTHXVAHSA-N -1 3 373.883 3.230 20 0 FGADHM Cc1cc(N2CCSCC2)ccc1NC(=O)c1cccc2nn[n-]c21 ZINC000187622411 496512737 /nfs/dbraw/zinc/51/27/37/496512737.db2.gz MRXYTXMPAHHHST-UHFFFAOYSA-N -1 3 353.451 3.072 20 0 FGADHM Cc1cc(N2CCSCC2)ccc1NC(=O)c1cccc2[n-]nnc21 ZINC000187622411 496512743 /nfs/dbraw/zinc/51/27/43/496512743.db2.gz MRXYTXMPAHHHST-UHFFFAOYSA-N -1 3 353.451 3.072 20 0 FGADHM Cc1cc(N2CCSCC2)ccc1NC(=O)c1cccc2n[n-]nc21 ZINC000187622411 496512749 /nfs/dbraw/zinc/51/27/49/496512749.db2.gz MRXYTXMPAHHHST-UHFFFAOYSA-N -1 3 353.451 3.072 20 0 FGADHM CN(C)C(=O)c1ccnc(NC(=O)c2c[n-]nc2-c2ccc(Cl)cc2)c1 ZINC000163477326 496520268 /nfs/dbraw/zinc/52/02/68/496520268.db2.gz GGZATGNLLCCLHG-UHFFFAOYSA-N -1 3 369.812 3.079 20 0 FGADHM Cc1cc(CN2C[C@H]3CCC[C@@]3(c3nc(CC4CC4)no3)C2)oc1C(=O)[O-] ZINC000580838283 505849963 /nfs/dbraw/zinc/84/99/63/505849963.db2.gz BZQRSEQWHNEVOW-JLTOFOAXSA-N -1 3 371.437 3.175 20 0 FGADHM O=C(CCC(=O)N1CCc2sccc2C1)Nc1ccc(Cl)cc1[O-] ZINC000153674692 496541162 /nfs/dbraw/zinc/54/11/62/496541162.db2.gz OFTRCEUSXWDTPE-UHFFFAOYSA-N -1 3 364.854 3.411 20 0 FGADHM C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)Cc1ccc([O-])cc1Cl ZINC000181782427 496541991 /nfs/dbraw/zinc/54/19/91/496541991.db2.gz JFLXOEGYBVMZMP-CYBMUJFWSA-N -1 3 370.840 3.388 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)N(Cc1cccs1)C[C@H]1CCCO1 ZINC000163651908 496542117 /nfs/dbraw/zinc/54/21/17/496542117.db2.gz YZZSGYNGXWPIRZ-CQSZACIVSA-N -1 3 364.442 3.484 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)c3ccccc3Br)[n-]c21 ZINC000157782325 496553381 /nfs/dbraw/zinc/55/33/81/496553381.db2.gz PRSLWMFKYXBJHV-UHFFFAOYSA-N -1 3 374.194 3.364 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccccc3Br)nc21 ZINC000157782325 496553384 /nfs/dbraw/zinc/55/33/84/496553384.db2.gz PRSLWMFKYXBJHV-UHFFFAOYSA-N -1 3 374.194 3.364 20 0 FGADHM CCN(CC)C(=O)[C@H]1CCCN1C(=O)c1c[n-]c2c(C)cc(C)cc2c1=O ZINC000163773374 496556209 /nfs/dbraw/zinc/55/62/09/496556209.db2.gz BWZRCQZKIPBYLZ-QGZVFWFLSA-N -1 3 369.465 3.030 20 0 FGADHM COc1ccc(Cc2noc(-c3cc(C)cc(OC)c3[O-])n2)cc1OC ZINC000184853678 496558925 /nfs/dbraw/zinc/55/89/25/496558925.db2.gz CHSYQFBSGWKFHL-UHFFFAOYSA-N -1 3 356.378 3.367 20 0 FGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)C1CCC(c2ccccc2)CC1 ZINC000173130973 496561692 /nfs/dbraw/zinc/56/16/92/496561692.db2.gz WMSQYJGLTJJDTL-UHFFFAOYSA-N -1 3 361.449 3.457 20 0 FGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)C1CCC(c2ccccc2)CC1 ZINC000173130973 496561696 /nfs/dbraw/zinc/56/16/96/496561696.db2.gz WMSQYJGLTJJDTL-UHFFFAOYSA-N -1 3 361.449 3.457 20 0 FGADHM COc1cc(C(=O)N2CCCN(CC3CCC3)CC2)cc(Cl)c1[O-] ZINC000574769307 505851974 /nfs/dbraw/zinc/85/19/74/505851974.db2.gz VPKMFZJLTDODEB-UHFFFAOYSA-N -1 3 352.862 3.002 20 0 FGADHM O=C(Nc1cc(Cc2ccccc2)ccc1[O-])c1cnc2ccccn2c1=O ZINC000175846156 496570832 /nfs/dbraw/zinc/57/08/32/496570832.db2.gz QXNAQYZTOYHPJA-UHFFFAOYSA-N -1 3 371.396 3.243 20 0 FGADHM NC(=O)c1ccc(C(=O)Nc2cc(Cc3ccccc3)ccc2[O-])s1 ZINC000175847616 496571372 /nfs/dbraw/zinc/57/13/72/496571372.db2.gz NZFPLMKLDSHFLZ-UHFFFAOYSA-N -1 3 352.415 3.396 20 0 FGADHM C[C@@H](CCc1ccccc1F)C(=O)NCCCNC(=O)c1cccc([O-])c1 ZINC000175857636 496575820 /nfs/dbraw/zinc/57/58/20/496575820.db2.gz HNSPIORAQTVMPE-HNNXBMFYSA-N -1 3 372.440 3.036 20 0 FGADHM COc1cccc(-c2cc(C(=O)[N-]c3nnc(C(F)F)s3)n[nH]2)c1 ZINC000163984392 496576430 /nfs/dbraw/zinc/57/64/30/496576430.db2.gz AFRMYZHVPMUDGD-UHFFFAOYSA-N -1 3 351.338 3.127 20 0 FGADHM CC(C)(CCO)C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000178830084 496586807 /nfs/dbraw/zinc/58/68/07/496586807.db2.gz HBFRNZKGXYBOOG-UHFFFAOYSA-N -1 3 359.797 3.046 20 0 FGADHM Cc1ccc(-c2nnc(NC(=O)c3cc(C)n(-c4ccc(F)cc4)n3)[n-]2)o1 ZINC000181900727 496591803 /nfs/dbraw/zinc/59/18/03/496591803.db2.gz UBSNJILPCSTDGT-UHFFFAOYSA-N -1 3 366.356 3.259 20 0 FGADHM Cc1ccc(-c2n[n-]c(NC(=O)c3cc(C)n(-c4ccc(F)cc4)n3)n2)o1 ZINC000181900727 496591808 /nfs/dbraw/zinc/59/18/08/496591808.db2.gz UBSNJILPCSTDGT-UHFFFAOYSA-N -1 3 366.356 3.259 20 0 FGADHM Cc1ccc(-c2nc(NC(=O)c3cc(C)n(-c4ccc(F)cc4)n3)n[n-]2)o1 ZINC000181900727 496591813 /nfs/dbraw/zinc/59/18/13/496591813.db2.gz UBSNJILPCSTDGT-UHFFFAOYSA-N -1 3 366.356 3.259 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1c(F)cccc1F)c1ccc(-n2cccn2)cc1 ZINC000173232297 496604848 /nfs/dbraw/zinc/60/48/48/496604848.db2.gz LWVFWTLSOIOUQD-GFCCVEGCSA-N -1 3 363.389 3.190 20 0 FGADHM Cc1ccc(F)c(S(=O)(=O)[N-][C@H](C)c2ccc(-n3cccn3)cc2)c1 ZINC000173234280 496605875 /nfs/dbraw/zinc/60/58/75/496605875.db2.gz XMONSNFOQVPTCM-CQSZACIVSA-N -1 3 359.426 3.359 20 0 FGADHM CC(C)OCCCCNC(=O)NCc1ccc([O-])c(Br)c1 ZINC000181951770 496610735 /nfs/dbraw/zinc/61/07/35/496610735.db2.gz MLEURXNLTNIPIP-UHFFFAOYSA-N -1 3 359.264 3.159 20 0 FGADHM CCOC(=O)c1ccc(C[N-]c2nnc([C@@H]3Cc4ccccc4O3)o2)o1 ZINC000187899592 496613182 /nfs/dbraw/zinc/61/31/82/496613182.db2.gz FHYGVJNSXYGEJQ-HNNXBMFYSA-N -1 3 355.350 3.128 20 0 FGADHM CCOCc1nnc([N-]Cc2ccc(-c3ccccc3C(=O)OC)o2)o1 ZINC000187904941 496615445 /nfs/dbraw/zinc/61/54/45/496615445.db2.gz RFIIYPWEZUNUMP-UHFFFAOYSA-N -1 3 357.366 3.265 20 0 FGADHM CN(C)CCN(Cc1cccs1)C(=O)c1cc(F)cc(Cl)c1[O-] ZINC000158146093 496637850 /nfs/dbraw/zinc/63/78/50/496637850.db2.gz FQNDWNGQDNHBKO-UHFFFAOYSA-N -1 3 356.850 3.450 20 0 FGADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)[C@H]1C[C@@H]1C1CC1 ZINC000176005942 496639282 /nfs/dbraw/zinc/63/92/82/496639282.db2.gz LLEHUNIQKVHFAZ-MNOVXSKESA-N -1 3 362.373 3.062 20 0 FGADHM CC(=O)c1csc([N-]C(=O)c2cc(COc3ccccc3F)on2)n1 ZINC000185061961 496643327 /nfs/dbraw/zinc/64/33/27/496643327.db2.gz PRMVHVWYLOAKFI-UHFFFAOYSA-N -1 3 361.354 3.304 20 0 FGADHM O=C([N-]OC[C@@H]1CCOC1)[C@@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000188018222 496652942 /nfs/dbraw/zinc/65/29/42/496652942.db2.gz HIOCUEWUUQMTJU-DUXKGJEZSA-N -1 3 367.445 3.453 20 0 FGADHM CC(C)c1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C(N)=O)cc2)cc1 ZINC000158225788 496654295 /nfs/dbraw/zinc/65/42/95/496654295.db2.gz NKMBVEGZBFXDQZ-UHFFFAOYSA-N -1 3 360.479 3.374 20 0 FGADHM O=C(CN1CCCCCC1)Nc1ccc(NC(=O)c2cccc([O-])c2)cc1 ZINC000182084342 496662826 /nfs/dbraw/zinc/66/28/26/496662826.db2.gz OGWWUNLLSFBVIX-UHFFFAOYSA-N -1 3 367.449 3.459 20 0 FGADHM C[C@]1(CNC(=O)c2ccc(C(=O)c3cccc([O-])c3)cc2)CCCC[C@H]1O ZINC000188050488 496664406 /nfs/dbraw/zinc/66/44/06/496664406.db2.gz JFGAZODLRAVIRO-DENIHFKCSA-N -1 3 367.445 3.294 20 0 FGADHM O=S(=O)([N-]c1ccc(O[C@H]2CCOC2)cc1)c1ccc(F)c(Cl)c1 ZINC000158269715 496664763 /nfs/dbraw/zinc/66/47/63/496664763.db2.gz CIILWINNWGHGTK-ZDUSSCGKSA-N -1 3 371.817 3.448 20 0 FGADHM Cc1cc(NC(=O)c2cccc3nn[n-]c32)ccc1OCC(F)(F)F ZINC000188082717 496676170 /nfs/dbraw/zinc/67/61/70/496676170.db2.gz MYKPZMMCOXIHRA-UHFFFAOYSA-N -1 3 350.300 3.460 20 0 FGADHM Cc1cc(NC(=O)c2cccc3[n-]nnc32)ccc1OCC(F)(F)F ZINC000188082717 496676174 /nfs/dbraw/zinc/67/61/74/496676174.db2.gz MYKPZMMCOXIHRA-UHFFFAOYSA-N -1 3 350.300 3.460 20 0 FGADHM Cc1cc(NC(=O)c2cccc3n[n-]nc32)ccc1OCC(F)(F)F ZINC000188082717 496676178 /nfs/dbraw/zinc/67/61/78/496676178.db2.gz MYKPZMMCOXIHRA-UHFFFAOYSA-N -1 3 350.300 3.460 20 0 FGADHM O=C(Cc1ccc([O-])cc1Cl)Nc1ccccc1N1CCC(O)CC1 ZINC000182149932 496689100 /nfs/dbraw/zinc/68/91/00/496689100.db2.gz QHIVORBYYFDUIZ-UHFFFAOYSA-N -1 3 360.841 3.188 20 0 FGADHM O=S(=O)([N-][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1cc(F)ccc1Cl ZINC000167302208 496699553 /nfs/dbraw/zinc/69/95/53/496699553.db2.gz ILGNFLWSMXYOEE-GLQYFDAESA-N -1 3 359.850 3.105 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)[C@@H]1COc2ccccc21 ZINC000167589899 496704125 /nfs/dbraw/zinc/70/41/25/496704125.db2.gz OIWWEBPUNXTLMP-PWSUYJOCSA-N -1 3 355.818 3.322 20 0 FGADHM Cc1ccc([C@@H](CNC(=O)NCc2ccc([O-])c(F)c2)N2CCCC2)o1 ZINC000158477402 496710220 /nfs/dbraw/zinc/71/02/20/496710220.db2.gz FDOWXDOHZFALIR-MRXNPFEDSA-N -1 3 361.417 3.069 20 0 FGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc2[nH]c(C3CCC3)nc2c1 ZINC000176165955 496711117 /nfs/dbraw/zinc/71/11/17/496711117.db2.gz FOAINRHMHDBLSA-UHFFFAOYSA-N -1 3 369.450 3.196 20 0 FGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1 ZINC000176165955 496711120 /nfs/dbraw/zinc/71/11/20/496711120.db2.gz FOAINRHMHDBLSA-UHFFFAOYSA-N -1 3 369.450 3.196 20 0 FGADHM Cc1ccc(F)c(S(=O)(=O)[N-]Cc2cn(C)nc2-c2ccccc2)c1 ZINC000182329691 496729876 /nfs/dbraw/zinc/72/98/76/496729876.db2.gz FEZKJQGQCXMIRP-UHFFFAOYSA-N -1 3 359.426 3.013 20 0 FGADHM CCc1ccc(C(=O)N2CCOC[C@H]2CC(=O)c2cccs2)c([O-])c1 ZINC000188291679 496743466 /nfs/dbraw/zinc/74/34/66/496743466.db2.gz AGQLPJZPQBNIGB-CQSZACIVSA-N -1 3 359.447 3.130 20 0 FGADHM COc1ccc2cc(CN[C@H](CC(=O)OC(C)(C)C)C(=O)[O-])ccc2c1 ZINC000277369901 496751222 /nfs/dbraw/zinc/75/12/22/496751222.db2.gz QGMWTTMEFJOJFW-QGZVFWFLSA-N -1 3 359.422 3.123 20 0 FGADHM O=S(=O)([N-]C1CCN(C2CCCC2)CC1)c1cc2cc(F)ccc2o1 ZINC000578114078 505864074 /nfs/dbraw/zinc/86/40/74/505864074.db2.gz STIBSYFZNVIBKO-UHFFFAOYSA-N -1 3 366.458 3.257 20 0 FGADHM CN(C(=O)c1c[n-]c2ccccc2c1=O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000268700942 496763158 /nfs/dbraw/zinc/76/31/58/496763158.db2.gz KIUJPPDJIFVHKG-KRWDZBQOSA-N -1 3 361.445 3.287 20 0 FGADHM C[C@@H](c1cccc(NC([O-])=NOCc2ccc(F)cc2)c1)N1CCOCC1 ZINC000273370080 496786256 /nfs/dbraw/zinc/78/62/56/496786256.db2.gz FXRYXWHVBZAFGT-HNNXBMFYSA-N -1 3 373.428 3.472 20 0 FGADHM C[C@@H](c1cccc(NC(=O)[N-]OCc2ccc(F)cc2)c1)N1CCOCC1 ZINC000273370080 496786259 /nfs/dbraw/zinc/78/62/59/496786259.db2.gz FXRYXWHVBZAFGT-HNNXBMFYSA-N -1 3 373.428 3.472 20 0 FGADHM COc1cccc(-c2nc([C@@H]3CN(Cc4ccccc4)CCO3)no2)c1[O-] ZINC000273374496 496787829 /nfs/dbraw/zinc/78/78/29/496787829.db2.gz DMNUYKUOIRQSAR-KRWDZBQOSA-N -1 3 367.405 3.024 20 0 FGADHM CC(C)(C)[C@H](CNCc1cn(-c2ccc(F)cc2Cl)nn1)CC(=O)[O-] ZINC000277491496 496790889 /nfs/dbraw/zinc/79/08/89/496790889.db2.gz XBXXCLJGEXTEFX-NSHDSACASA-N -1 3 368.840 3.286 20 0 FGADHM COC(=O)c1sc2[n-]c(CNC3(c4ccccc4)CC3)nc(=O)c2c1C ZINC000264019897 496791010 /nfs/dbraw/zinc/79/10/10/496791010.db2.gz WAEVRLZFBVEFQX-UHFFFAOYSA-N -1 3 369.446 3.271 20 0 FGADHM CCOC(=O)c1oc2ccc(S(=O)(=O)[N-]c3ccncc3C)cc2c1C ZINC000191542608 496804916 /nfs/dbraw/zinc/80/49/16/496804916.db2.gz RVNBTCBIWZDZDG-UHFFFAOYSA-N -1 3 374.418 3.422 20 0 FGADHM C[C@@H]1C[C@@H](CC(=O)Nc2ccc(C[C@@H]3NC(=O)[N-]C3=O)cc2)CC(C)(C)C1 ZINC000247273582 496821527 /nfs/dbraw/zinc/82/15/27/496821527.db2.gz YFFRZNCDQYHHJT-KMFMINBZSA-N -1 3 371.481 3.228 20 0 FGADHM CCOc1ncc(C(=O)[N-]c2nnc(CC(F)(F)F)s2)cc1Cl ZINC000268916187 496822961 /nfs/dbraw/zinc/82/29/61/496822961.db2.gz BUYVUFWJVPWFLH-UHFFFAOYSA-N -1 3 366.752 3.342 20 0 FGADHM C[C@H]1CN(Cc2cccc(CNC(=O)c3cc([O-])ccc3Cl)c2)CCO1 ZINC000277616273 496829752 /nfs/dbraw/zinc/82/97/52/496829752.db2.gz IGJUZJWDEPLJPX-AWEZNQCLSA-N -1 3 374.868 3.196 20 0 FGADHM Cc1nc(C)c(S(=O)(=O)[N-][C@H]2CCO[C@H](c3ccc(F)cc3)C2)s1 ZINC000273538007 496833342 /nfs/dbraw/zinc/83/33/42/496833342.db2.gz SLXLFSKBWOOSFL-GJZGRUSLSA-N -1 3 370.471 3.098 20 0 FGADHM CCc1ccc(C(=O)N2CCN(Cc3ccc(OC)c(F)c3)CC2)c([O-])c1 ZINC000188614820 496851280 /nfs/dbraw/zinc/85/12/80/496851280.db2.gz BYELUCSXLRKNNM-UHFFFAOYSA-N -1 3 372.440 3.060 20 0 FGADHM CCOC(=O)CCc1ccc(NC(=O)c2n[n-]nc2-c2ccccc2)cc1 ZINC000574858831 505870771 /nfs/dbraw/zinc/87/07/71/505870771.db2.gz FJJLZZYRGXPRSS-UHFFFAOYSA-N -1 3 364.405 3.220 20 0 FGADHM CC(C)(C[N-]S(=O)(=O)c1ccco1)c1ccccc1Br ZINC000188779990 496906896 /nfs/dbraw/zinc/90/68/96/496906896.db2.gz JJGNKSWGHRBFEQ-UHFFFAOYSA-N -1 3 358.257 3.298 20 0 FGADHM O=C(Nc1cnn(-c2ccccc2)c1C(F)(F)F)c1cccc2nn[n-]c21 ZINC000574873100 505872887 /nfs/dbraw/zinc/87/28/87/505872887.db2.gz YIDRFRYYSDYUNL-UHFFFAOYSA-N -1 3 372.310 3.415 20 0 FGADHM O=C(Nc1cnn(-c2ccccc2)c1C(F)(F)F)c1cccc2[n-]nnc21 ZINC000574873100 505872890 /nfs/dbraw/zinc/87/28/90/505872890.db2.gz YIDRFRYYSDYUNL-UHFFFAOYSA-N -1 3 372.310 3.415 20 0 FGADHM O=C(Nc1cnn(-c2ccccc2)c1C(F)(F)F)c1cccc2n[n-]nc21 ZINC000574873100 505872894 /nfs/dbraw/zinc/87/28/94/505872894.db2.gz YIDRFRYYSDYUNL-UHFFFAOYSA-N -1 3 372.310 3.415 20 0 FGADHM O=C(N[C@H]1c2ccccc2C[C@@H]1O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000188788423 496909669 /nfs/dbraw/zinc/90/96/69/496909669.db2.gz FHEMOWBJHCXFRG-SFTDATJTSA-N -1 3 373.408 3.011 20 0 FGADHM CO[C@@H](C)C(=O)Nc1cccc(NC(=O)c2cn[n-]c2-c2ccsc2)c1 ZINC000188808506 496914935 /nfs/dbraw/zinc/91/49/35/496914935.db2.gz NLUHZOZNBAAPKO-NSHDSACASA-N -1 3 370.434 3.364 20 0 FGADHM CO[C@@H](C)C(=O)Nc1cccc(NC(=O)c2c[n-]nc2-c2ccsc2)c1 ZINC000188808506 496914939 /nfs/dbraw/zinc/91/49/39/496914939.db2.gz NLUHZOZNBAAPKO-NSHDSACASA-N -1 3 370.434 3.364 20 0 FGADHM Cc1ccc(-n2c3ccc(C)cc3nc2[N-]C(=O)C(=O)NCC2CC2)cc1 ZINC000191886664 496920977 /nfs/dbraw/zinc/92/09/77/496920977.db2.gz DPBUXJGLXXCIGJ-UHFFFAOYSA-N -1 3 362.433 3.107 20 0 FGADHM CCCS(=O)(=O)[N-]c1ccc(-c2nc(CCCOC(C)C)no2)cc1 ZINC000273836071 496926841 /nfs/dbraw/zinc/92/68/41/496926841.db2.gz JDRXEDXGHMUFAT-UHFFFAOYSA-N -1 3 367.471 3.246 20 0 FGADHM CN(Cc1ccc2c(c1)OCO2)C(=O)c1cc([O-])ccc1C(F)(F)F ZINC000188883941 496936902 /nfs/dbraw/zinc/93/69/02/496936902.db2.gz CDQQCUKXRMWFTR-UHFFFAOYSA-N -1 3 353.296 3.412 20 0 FGADHM CC(=O)Nc1ccc(CCNC(=O)c2cc([O-])ccc2C(F)(F)F)cc1 ZINC000188917863 496946755 /nfs/dbraw/zinc/94/67/55/496946755.db2.gz XQBLCQFIGWCBHS-UHFFFAOYSA-N -1 3 366.339 3.342 20 0 FGADHM CCCCc1nc(C(=O)OCC)c(NC(=O)c2sccc2COC)[n-]1 ZINC000191964494 496946995 /nfs/dbraw/zinc/94/69/95/496946995.db2.gz RNYPMNWWHYLXEH-UHFFFAOYSA-N -1 3 365.455 3.389 20 0 FGADHM CCCCc1nc(NC(=O)c2sccc2COC)c(C(=O)OCC)[n-]1 ZINC000191964494 496947001 /nfs/dbraw/zinc/94/70/01/496947001.db2.gz RNYPMNWWHYLXEH-UHFFFAOYSA-N -1 3 365.455 3.389 20 0 FGADHM COc1cc(-c2noc(C[C@H](C)NC(=O)C3CCCCC3)n2)ccc1[O-] ZINC000264657667 496955572 /nfs/dbraw/zinc/95/55/72/496955572.db2.gz YOAVCVIKJXTUAW-LBPRGKRZSA-N -1 3 359.426 3.078 20 0 FGADHM Cc1ccc(N(C)C2CCN(C(=O)c3ccc(C(C)C)cc3[O-])CC2)nn1 ZINC000264672787 496959224 /nfs/dbraw/zinc/95/92/24/496959224.db2.gz MEOHGONHGBYMOQ-UHFFFAOYSA-N -1 3 368.481 3.355 20 0 FGADHM CCCS(=O)(=O)[N-]c1ccc(-c2nc(Cc3ccc(C)nc3)no2)cc1 ZINC000273948376 496968563 /nfs/dbraw/zinc/96/85/63/496968563.db2.gz NSPAYDACCPMDCW-UHFFFAOYSA-N -1 3 372.450 3.183 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3cnn([C@H](C)C4CC4)c3)c[n-]c12 ZINC000189036798 496986738 /nfs/dbraw/zinc/98/67/38/496986738.db2.gz IECKPROWVAPECM-LLVKDONJSA-N -1 3 354.385 3.395 20 0 FGADHM Cn1cnnc1-c1cccc(NC(=O)c2cc([O-])ccc2C(F)(F)F)c1 ZINC000189056618 496992984 /nfs/dbraw/zinc/99/29/84/496992984.db2.gz IARHMEXDIHKTKB-UHFFFAOYSA-N -1 3 362.311 3.459 20 0 FGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2CCCC(C)(C)C2)cc1OC ZINC000264836246 496995542 /nfs/dbraw/zinc/99/55/42/496995542.db2.gz SOWQMWBOSXUDDY-UHFFFAOYSA-N -1 3 369.487 3.111 20 0 FGADHM CN(CCOc1ccc(C(F)(F)F)cc1)C(=O)c1ccc2n[n-]nc2c1 ZINC000189070854 496998922 /nfs/dbraw/zinc/99/89/22/496998922.db2.gz OOIBYSVHOOWXLI-UHFFFAOYSA-N -1 3 364.327 3.128 20 0 FGADHM CSc1ccc(NC(=O)c2c[n-]nc2-c2ccc3c(c2)OCO3)cn1 ZINC000578171860 505878675 /nfs/dbraw/zinc/87/86/75/505878675.db2.gz KHKHBAPLEUZJTP-UHFFFAOYSA-N -1 3 354.391 3.175 20 0 FGADHM O=c1cc(CN[C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)c2ccc([O-])cc2o1 ZINC000192132752 497005063 /nfs/dbraw/zinc/00/50/63/497005063.db2.gz RRTYDRRZABVNJG-XLIONFOSSA-N -1 3 373.355 3.397 20 0 FGADHM CCOC(=O)Cc1nnc([N-]C(=O)c2oc3ccc(F)cc3c2C)s1 ZINC000269820288 497007320 /nfs/dbraw/zinc/00/73/20/497007320.db2.gz VFUUKTLEUBFYHK-UHFFFAOYSA-N -1 3 363.370 3.090 20 0 FGADHM COc1cc(C(=O)N(Cc2ccccc2)C[C@H]2CCCO2)cc(OC)c1[O-] ZINC000269925722 497026159 /nfs/dbraw/zinc/02/61/59/497026159.db2.gz JXWLERSQANCRCC-QGZVFWFLSA-N -1 3 371.433 3.231 20 0 FGADHM [O-]C(=NO[C@H]1CCCCO1)Nc1ccc(OC(F)F)c2ncccc12 ZINC000274189544 497036061 /nfs/dbraw/zinc/03/60/61/497036061.db2.gz LLWVPZYYZOALFQ-ZDUSSCGKSA-N -1 3 353.325 3.416 20 0 FGADHM O=C([N-]O[C@H]1CCCCO1)Nc1ccc(OC(F)F)c2ncccc12 ZINC000274189544 497036067 /nfs/dbraw/zinc/03/60/67/497036067.db2.gz LLWVPZYYZOALFQ-ZDUSSCGKSA-N -1 3 353.325 3.416 20 0 FGADHM O=C(NC[C@H]1CCN(CC(F)(F)F)C1)c1cc([O-])ccc1C(F)(F)F ZINC000189200330 497041863 /nfs/dbraw/zinc/04/18/63/497041863.db2.gz QYGSVYLLDHTWDM-SECBINFHSA-N -1 3 370.293 3.025 20 0 FGADHM CC(C)(C)OC(=O)C1CCN(C(=O)c2cc(=O)c3ccccc3[n-]2)CC1 ZINC000265146356 497057761 /nfs/dbraw/zinc/05/77/61/497057761.db2.gz PDGGDZGGAIMJKN-UHFFFAOYSA-N -1 3 356.422 3.134 20 0 FGADHM CC(=O)c1cccc(NC(=O)c2ccc(Cl)c(N3CCNC3=O)c2)c1[O-] ZINC000569219243 505882036 /nfs/dbraw/zinc/88/20/36/505882036.db2.gz PGRFBLIQAKQPJU-UHFFFAOYSA-N -1 3 373.796 3.030 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1ccccc1F)c1nc(C(F)(F)F)cs1 ZINC000278292207 497064508 /nfs/dbraw/zinc/06/45/08/497064508.db2.gz BWCQGXSGPRTGFT-SSDOTTSWSA-N -1 3 354.350 3.341 20 0 FGADHM [O-]c1ccc(Br)c(CN2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)c1 ZINC000278335589 497078526 /nfs/dbraw/zinc/07/85/26/497078526.db2.gz HFKPHCQDGNLCBM-NOZJJQNGSA-N -1 3 368.193 3.290 20 0 FGADHM CCOC(C)(C)C[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000233733451 497111996 /nfs/dbraw/zinc/11/19/96/497111996.db2.gz UDRKVSAWPKCCKZ-UHFFFAOYSA-N -1 3 370.696 3.196 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)Cc1ccccc1F)c1nc(C(F)(F)F)cs1 ZINC000278370015 497091166 /nfs/dbraw/zinc/09/11/66/497091166.db2.gz KFACZNQSYMPGLF-MRVPVSSYSA-N -1 3 368.377 3.482 20 0 FGADHM C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1cc(F)c(F)c([O-])c1F ZINC000248732159 497091491 /nfs/dbraw/zinc/09/14/91/497091491.db2.gz DGMRNGLYDWBANH-IAQYHMDHSA-N -1 3 364.367 3.060 20 0 FGADHM CSC1(C[N-]S(=O)(=O)c2cc(C)c(Br)s2)CCC1 ZINC000228066315 497093936 /nfs/dbraw/zinc/09/39/36/497093936.db2.gz GTZYCNUGNBPIFJ-UHFFFAOYSA-N -1 3 370.359 3.383 20 0 FGADHM Cc1cc(=O)[n-]c([C@H](C)N2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)n1 ZINC000248767901 497101415 /nfs/dbraw/zinc/10/14/15/497101415.db2.gz RZUDXFZWRNEQIO-XHDPSFHLSA-N -1 3 351.809 3.418 20 0 FGADHM O=S(=O)([N-]C[C@@H]1Cc2ccccc21)c1ccc(Br)c(F)c1 ZINC000230601495 497105487 /nfs/dbraw/zinc/10/54/87/497105487.db2.gz SWPBNSHAZATBNR-NSHDSACASA-N -1 3 370.243 3.206 20 0 FGADHM C[C@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000230710905 497106920 /nfs/dbraw/zinc/10/69/20/497106920.db2.gz APLXNARKAJLTCN-VHSXEESVSA-N -1 3 350.253 3.303 20 0 FGADHM O=C(c1cc(F)cc2[n-]nnc21)N1CCCCC[C@H]1[C@H]1CCCCC1=O ZINC000278461199 497123331 /nfs/dbraw/zinc/12/33/31/497123331.db2.gz VPVLUIQDRNKDKZ-CJNGLKHVSA-N -1 3 358.417 3.241 20 0 FGADHM O=C(c1cc(F)cc2nn[n-]c21)N1CCCCC[C@H]1[C@H]1CCCCC1=O ZINC000278461199 497123336 /nfs/dbraw/zinc/12/33/36/497123336.db2.gz VPVLUIQDRNKDKZ-CJNGLKHVSA-N -1 3 358.417 3.241 20 0 FGADHM O=C(c1cc(F)cc2n[n-]nc21)N1CCCCC[C@H]1[C@H]1CCCCC1=O ZINC000278461199 497123342 /nfs/dbraw/zinc/12/33/42/497123342.db2.gz VPVLUIQDRNKDKZ-CJNGLKHVSA-N -1 3 358.417 3.241 20 0 FGADHM O=C(C[C@@H]1CCCCCN1C(=O)c1cc(=O)[n-]c(C2CC2)n1)c1ccco1 ZINC000569236226 505886539 /nfs/dbraw/zinc/88/65/39/505886539.db2.gz YUJHELRLJBSUQP-AWEZNQCLSA-N -1 3 369.421 3.310 20 0 FGADHM Cc1ccc([C@@H]2C[C@H](C)N(C(=O)CCc3c(C)nc(C)[n-]c3=O)C2)cc1 ZINC000278602268 497163584 /nfs/dbraw/zinc/16/35/84/497163584.db2.gz CICSCGIVQKIXIO-KBXCAEBGSA-N -1 3 353.466 3.445 20 0 FGADHM CC[C@H]1[C@H](C)CCN1C(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000274791821 497166780 /nfs/dbraw/zinc/16/67/80/497166780.db2.gz MNZHCTALNUEOSA-DYVFJYSZSA-N -1 3 354.454 3.132 20 0 FGADHM Cc1cnccc1OC1CCN(C(=O)c2c[n-]c3ccccc3c2=O)CC1 ZINC000278624517 497171295 /nfs/dbraw/zinc/17/12/95/497171295.db2.gz KTZLWWGMMHATJG-UHFFFAOYSA-N -1 3 363.417 3.327 20 0 FGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)c2cccc([C@H]3CCOC3)c2)c1 ZINC000270710125 497183801 /nfs/dbraw/zinc/18/38/01/497183801.db2.gz WUEXKFKXVFVYRH-INIZCTEOSA-N -1 3 374.462 3.123 20 0 FGADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCC2(CC1)OCCO2 ZINC000265817969 497188500 /nfs/dbraw/zinc/18/85/00/497188500.db2.gz NTXJPKDRTKSBGU-UHFFFAOYSA-N -1 3 355.390 3.164 20 0 FGADHM COC[C@H]([N-]S(=O)(=O)Cc1ccc(Cl)c(F)c1)c1ccc(C)o1 ZINC000192749929 497203614 /nfs/dbraw/zinc/20/36/14/497203614.db2.gz SIESRCKYCKODLB-AWEZNQCLSA-N -1 3 361.822 3.188 20 0 FGADHM O=C(Nc1ccc2nc(N3CCCC3)sc2c1)c1cccc2nn[n-]c21 ZINC000189678058 497208367 /nfs/dbraw/zinc/20/83/67/497208367.db2.gz DBNPRUZBZKPHPG-UHFFFAOYSA-N -1 3 364.434 3.420 20 0 FGADHM O=C(Nc1ccc2nc(N3CCCC3)sc2c1)c1cccc2[n-]nnc21 ZINC000189678058 497208369 /nfs/dbraw/zinc/20/83/69/497208369.db2.gz DBNPRUZBZKPHPG-UHFFFAOYSA-N -1 3 364.434 3.420 20 0 FGADHM O=C(Nc1ccc2nc(N3CCCC3)sc2c1)c1cccc2n[n-]nc21 ZINC000189678058 497208371 /nfs/dbraw/zinc/20/83/71/497208371.db2.gz DBNPRUZBZKPHPG-UHFFFAOYSA-N -1 3 364.434 3.420 20 0 FGADHM Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)N[C@H](C)c1nc(C)cc(=O)[n-]1 ZINC000192778396 497211523 /nfs/dbraw/zinc/21/15/23/497211523.db2.gz HDGQPBVZRVYCCC-MWLCHTKSSA-N -1 3 357.380 3.278 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N3CCCC[C@H]3c3ncon3)c[n-]c12 ZINC000270948180 497232007 /nfs/dbraw/zinc/23/20/07/497232007.db2.gz WUUUMZMVGBPKRL-AWEZNQCLSA-N -1 3 356.357 3.138 20 0 FGADHM CCn1c(SCC(=O)Nc2ncccc2[O-])nnc1-c1ccccc1C ZINC000192916050 497245031 /nfs/dbraw/zinc/24/50/31/497245031.db2.gz CJEKEMNQXYJMGU-UHFFFAOYSA-N -1 3 369.450 3.105 20 0 FGADHM CN1CCN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)C(C)(C)C1 ZINC000271047296 497253333 /nfs/dbraw/zinc/25/33/33/497253333.db2.gz ONYHKXMFUAODKE-UHFFFAOYSA-N -1 3 358.467 3.183 20 0 FGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]C(C)(C)c1ncc(C)s1 ZINC000278882574 497254615 /nfs/dbraw/zinc/25/46/15/497254615.db2.gz WLAOCHCTDYKJJG-UHFFFAOYSA-N -1 3 360.888 3.327 20 0 FGADHM COCCC[C@H](Cc1ccccc1)NC(=O)c1c[n-]nc1-c1ccccn1 ZINC000581042714 505896624 /nfs/dbraw/zinc/89/66/24/505896624.db2.gz LLAGWHPXOUAAIG-QGZVFWFLSA-N -1 3 364.449 3.239 20 0 FGADHM COc1cc(CN(C)C(=O)c2c([O-])cccc2O)c(SC)cc1OC ZINC000271253277 497303633 /nfs/dbraw/zinc/30/36/33/497303633.db2.gz FFOWWXPDVVBBOW-UHFFFAOYSA-N -1 3 363.435 3.109 20 0 FGADHM O=C([N-]c1nnc(-c2cccc(Cl)c2)s1)c1cnn2ccncc12 ZINC000193123571 497308438 /nfs/dbraw/zinc/30/84/38/497308438.db2.gz DLYCPBKBTMKVJY-UHFFFAOYSA-N -1 3 356.798 3.154 20 0 FGADHM O=C(Nc1ccc(NC(=O)C2CC2)nc1)c1cc([O-])ccc1C(F)(F)F ZINC000193206309 497323968 /nfs/dbraw/zinc/32/39/68/497323968.db2.gz XAUMNRZZIXVICI-UHFFFAOYSA-N -1 3 365.311 3.407 20 0 FGADHM CC(C)c1ccccc1NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000253445448 497333891 /nfs/dbraw/zinc/33/38/91/497333891.db2.gz SDQMODRXGWYPQV-UHFFFAOYSA-N -1 3 372.899 3.442 20 0 FGADHM O=C(c1cc(F)ccc1F)C1CCN(C(=O)c2c([O-])cccc2O)CC1 ZINC000271410482 497341098 /nfs/dbraw/zinc/34/10/98/497341098.db2.gz XQEDQYNQAZPYRZ-UHFFFAOYSA-N -1 3 361.344 3.111 20 0 FGADHM CCc1cccc(Oc2ccc([N-]S(=O)(=O)C[C@H](C)OC)cn2)c1 ZINC000193313922 497347136 /nfs/dbraw/zinc/34/71/36/497347136.db2.gz CJVOBSMDJQZGFM-ZDUSSCGKSA-N -1 3 350.440 3.213 20 0 FGADHM C[C@@]1(CNC(=O)c2c[n-]nc2-c2ccc(Cl)s2)CCCC[C@H]1O ZINC000190090916 497353410 /nfs/dbraw/zinc/35/34/10/497353410.db2.gz 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ZINC000261690002 497433634 /nfs/dbraw/zinc/43/36/34/497433634.db2.gz KNZYTCFHYHASLT-AWEZNQCLSA-N -1 3 360.870 3.197 20 0 FGADHM O=S(=O)([N-][C@@H]1CCCc2c(O)cccc21)c1cc(F)c(F)c(F)c1 ZINC000190344410 497443735 /nfs/dbraw/zinc/44/37/35/497443735.db2.gz YPKLWIRHWATZKK-CQSZACIVSA-N -1 3 357.353 3.165 20 0 FGADHM CCc1ccc(C(=O)NCc2cccc(NC(=O)[C@H]3CCCO3)c2)c([O-])c1 ZINC000190357187 497448960 /nfs/dbraw/zinc/44/89/60/497448960.db2.gz VFHYCWDZKMFFMQ-LJQANCHMSA-N -1 3 368.433 3.002 20 0 FGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(OC2CCCC2)nc1 ZINC000266984394 497461906 /nfs/dbraw/zinc/46/19/06/497461906.db2.gz GYVUWNZURWNJCD-UHFFFAOYSA-N -1 3 360.439 3.181 20 0 FGADHM C[C@@H]1CCN(Cc2nn(-c3ccc(F)cc3)c3c2CCC3)C[C@@H]1C(=O)[O-] ZINC000569339952 505911787 /nfs/dbraw/zinc/91/17/87/505911787.db2.gz XGAJODGWZLFGBE-DYVFJYSZSA-N -1 3 357.429 3.043 20 0 FGADHM Nc1ccc(C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)cc1 ZINC000262156775 497517381 /nfs/dbraw/zinc/51/73/81/497517381.db2.gz BKKXWFKKDOHMIX-UHFFFAOYSA-N -1 3 373.840 3.119 20 0 FGADHM C[C@@H](NC(=O)CN1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1)c1cccc2ccccc21 ZINC000262209388 497525109 /nfs/dbraw/zinc/52/51/09/497525109.db2.gz TXLUAHNOGPXSPR-ULYRPOKDSA-N -1 3 366.461 3.204 20 0 FGADHM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1CC(=O)Nc1cccc2c1N=S=N2 ZINC000262224191 497526126 /nfs/dbraw/zinc/52/61/26/497526126.db2.gz NAMZLFLUSMIQBG-HONMWMINSA-N -1 3 360.439 3.069 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N(CCC(F)(F)F)CC(F)(F)F)c1 ZINC000279739943 497527223 /nfs/dbraw/zinc/52/72/23/497527223.db2.gz KBHFJPYRHAQQKK-UHFFFAOYSA-N -1 3 372.265 3.308 20 0 FGADHM CC(C)(C)OC(=O)Nc1ccc(NC(=O)[N-]OC[C@@H]2CCOC2)cc1 ZINC000276396971 497563490 /nfs/dbraw/zinc/56/34/90/497563490.db2.gz NXKBQWRLVYKOFU-GFCCVEGCSA-N -1 3 351.403 3.123 20 0 FGADHM Cc1nc(C)c(NC(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)s1 ZINC000267553754 497577231 /nfs/dbraw/zinc/57/72/31/497577231.db2.gz BVTCHCQXCKXMMB-UHFFFAOYSA-N -1 3 369.450 3.197 20 0 FGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000190705705 497579118 /nfs/dbraw/zinc/57/91/18/497579118.db2.gz HBHWJWNGPYLXFP-NSHDSACASA-N -1 3 373.419 3.426 20 0 FGADHM COC(=O)[C@H]1CC[C@@H]([N-]S(=O)(=O)c2cc3cc(Cl)ccc3s2)C1 ZINC000194144905 497586514 /nfs/dbraw/zinc/58/65/14/497586514.db2.gz ITWXWDXHDVRYSS-JOYOIKCWSA-N -1 3 373.883 3.175 20 0 FGADHM CCCC[C@H](NCc1cn(-c2cccc(Cl)c2Cl)nn1)C(=O)[O-] ZINC000262725598 497609441 /nfs/dbraw/zinc/60/94/41/497609441.db2.gz YUPTUMKJNZTWBQ-LBPRGKRZSA-N -1 3 357.241 3.307 20 0 FGADHM CCCC[C@H](NCc1cn(-c2ccc(Cl)cc2Cl)nn1)C(=O)[O-] ZINC000262725208 497609470 /nfs/dbraw/zinc/60/94/70/497609470.db2.gz YPESTIWZEIHGLC-ZDUSSCGKSA-N -1 3 357.241 3.307 20 0 FGADHM Cc1cc(C(=O)N2CCC[C@@H](C3N=NC(=S)N3C(C)C)C2)ccc1[O-] ZINC000272393370 497615674 /nfs/dbraw/zinc/61/56/74/497615674.db2.gz HBHMPCHPXGHKOK-CQSZACIVSA-N -1 3 360.483 3.182 20 0 FGADHM CCc1nc(C(=O)N2CCCc3cccc([O-])c32)nn1-c1ccccc1F ZINC000272397496 497617576 /nfs/dbraw/zinc/61/75/76/497617576.db2.gz DKIQBRGMDKPUOG-UHFFFAOYSA-N -1 3 366.396 3.267 20 0 FGADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2cnc(-c3ccco3)s2)CC1 ZINC000194343036 497640288 /nfs/dbraw/zinc/64/02/88/497640288.db2.gz AOIFWQQIXGMUGZ-UHFFFAOYSA-N -1 3 369.446 3.067 20 0 FGADHM CCc1c(NC([O-])=NOC[C@@H]2CCOC2)cnn1-c1ccc(Cl)cc1 ZINC000276796655 497656241 /nfs/dbraw/zinc/65/62/41/497656241.db2.gz VHNOKNHWMCITIP-GFCCVEGCSA-N -1 3 364.833 3.178 20 0 FGADHM CCc1c(NC(=O)[N-]OC[C@@H]2CCOC2)cnn1-c1ccc(Cl)cc1 ZINC000276796655 497656247 /nfs/dbraw/zinc/65/62/47/497656247.db2.gz VHNOKNHWMCITIP-GFCCVEGCSA-N -1 3 364.833 3.178 20 0 FGADHM CCN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2Cl)c1 ZINC000569382343 505921427 /nfs/dbraw/zinc/92/14/27/505921427.db2.gz KUQULOFWUGZOFM-UHFFFAOYSA-N -1 3 370.833 3.372 20 0 FGADHM O=C([O-])C1(CNC(=O)C2CCN(Cc3ccccc3)CC2)CCCCC1 ZINC000262948568 497663973 /nfs/dbraw/zinc/66/39/73/497663973.db2.gz MFQWARBERYXOMM-UHFFFAOYSA-N -1 3 358.482 3.050 20 0 FGADHM CC(C)(CCNCc1nc(-c2ccc(Br)cc2)c[nH]1)C(=O)[O-] ZINC000263008778 497680104 /nfs/dbraw/zinc/68/01/04/497680104.db2.gz BCQXCOFGCRRJNM-UHFFFAOYSA-N -1 3 366.259 3.430 20 0 FGADHM COc1ccc(CCS(=O)(=O)c2nc(C)c(Cc3ccccc3)[n-]2)cc1 ZINC000191046270 497692932 /nfs/dbraw/zinc/69/29/32/497692932.db2.gz SOEVNYFOYKYNOS-UHFFFAOYSA-N -1 3 370.474 3.334 20 0 FGADHM COc1ccc(CCS(=O)(=O)c2nc(Cc3ccccc3)c(C)[n-]2)cc1 ZINC000191046270 497692935 /nfs/dbraw/zinc/69/29/35/497692935.db2.gz SOEVNYFOYKYNOS-UHFFFAOYSA-N -1 3 370.474 3.334 20 0 FGADHM [O-]c1cccnc1CNC1(c2cccc(OC(F)(F)F)c2)CCOCC1 ZINC000569391249 505923317 /nfs/dbraw/zinc/92/33/17/505923317.db2.gz GXMRTMFAWREPDS-UHFFFAOYSA-N -1 3 368.355 3.481 20 0 FGADHM C[C@H](NC(=O)CN1C[C@H](C)C[C@@H](C(=O)[O-])C1)c1cccc2ccccc21 ZINC000263136237 497715015 /nfs/dbraw/zinc/71/50/15/497715015.db2.gz DGDRZBGAZPDKCY-HLLBOEOZSA-N -1 3 354.450 3.060 20 0 FGADHM Cc1ccc(C(=O)N2CCCC[C@@H]2c2nnc(C3CCOCC3)o2)c([O-])c1 ZINC000277016649 497716649 /nfs/dbraw/zinc/71/66/49/497716649.db2.gz WGWAQGPMRILOCW-MRXNPFEDSA-N -1 3 371.437 3.345 20 0 FGADHM Cc1c(Br)cccc1CC(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000191157843 497726695 /nfs/dbraw/zinc/72/66/95/497726695.db2.gz UKZJPKDLLINALR-UHFFFAOYSA-N -1 3 361.199 3.317 20 0 FGADHM Cc1c(Br)cccc1CC(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000191157843 497726699 /nfs/dbraw/zinc/72/66/99/497726699.db2.gz UKZJPKDLLINALR-UHFFFAOYSA-N -1 3 361.199 3.317 20 0 FGADHM Cc1c(Br)cccc1CC(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000191157843 497726706 /nfs/dbraw/zinc/72/67/06/497726706.db2.gz UKZJPKDLLINALR-UHFFFAOYSA-N -1 3 361.199 3.317 20 0 FGADHM CC[C@@H]1CCC[C@@H]1NC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000268338058 497728842 /nfs/dbraw/zinc/72/88/42/497728842.db2.gz GIRZPGHGXQXLLT-PBHICJAKSA-N -1 3 354.454 3.180 20 0 FGADHM CC[C@H]1CCC[C@H]1NC(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000268350401 497731267 /nfs/dbraw/zinc/73/12/67/497731267.db2.gz WIUDDPOCZWPPPB-GOEBONIOSA-N -1 3 359.470 3.331 20 0 FGADHM CC1CCC(N(C(=O)CN2CCC[C@H](CCC(=O)[O-])C2)C2CC2)CC1 ZINC000263208608 497733296 /nfs/dbraw/zinc/73/32/96/497733296.db2.gz 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497759968 /nfs/dbraw/zinc/75/99/68/497759968.db2.gz DAYITTDRYKMOFE-QGZVFWFLSA-N -1 3 367.417 3.450 20 0 FGADHM CCC[C@H](NC(=O)c1cc(OC)c([O-])c(OC)c1)[C@@H](O)c1ccccc1 ZINC000280493969 497770958 /nfs/dbraw/zinc/77/09/58/497770958.db2.gz HFMFEMZSDHYCER-YJBOKZPZSA-N -1 3 359.422 3.042 20 0 FGADHM COc1ccccc1[C@H](CNC(=O)c1ccc([O-])c(OC)c1)OC(C)C ZINC000277217558 497779615 /nfs/dbraw/zinc/77/96/15/497779615.db2.gz ZZWMDUMMVBNIKG-IBGZPJMESA-N -1 3 359.422 3.306 20 0 FGADHM CN1C(=O)C[C@@H](NCc2ccc(C(=O)[O-])cc2)[C@H]1c1ccc(Cl)cc1 ZINC000263430460 497781425 /nfs/dbraw/zinc/78/14/25/497781425.db2.gz RXSGKJQSKAMCRN-SJLPKXTDSA-N -1 3 358.825 3.100 20 0 FGADHM O=C([O-])[C@@H]1CCN(Cc2cnc(-c3ccc(Br)cc3)s2)C1 ZINC000263437838 497781809 /nfs/dbraw/zinc/78/18/09/497781809.db2.gz VEDIGZSHVTYLJX-LLVKDONJSA-N -1 3 367.268 3.479 20 0 FGADHM COc1ccc(NC([O-])=NOCCSC)cc1NC(=O)OC(C)(C)C ZINC000280534741 497783047 /nfs/dbraw/zinc/78/30/47/497783047.db2.gz NWFRCQLBQXUHRC-UHFFFAOYSA-N -1 3 371.459 3.458 20 0 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O=C(CCC(=O)c1ccc2c(c1)OCCO2)Nc1c([O-])cccc1Cl ZINC000578561023 505968151 /nfs/dbraw/zinc/96/81/51/505968151.db2.gz NUHZGTGVBJHKHL-UHFFFAOYSA-N -1 3 361.781 3.418 20 0 FGADHM Cc1oc(C(C)C)nc1C(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000285294307 498044812 /nfs/dbraw/zinc/04/48/12/498044812.db2.gz CSDGDDSIFMCBFX-UHFFFAOYSA-N -1 3 371.437 3.303 20 0 FGADHM C[C@@H]1C[C@H]1c1noc(-c2cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c2)n1 ZINC000350143248 498050204 /nfs/dbraw/zinc/05/02/04/498050204.db2.gz NRXWHDNHMLRCIE-RDDDGLTNSA-N -1 3 361.345 3.250 20 0 FGADHM Cc1nc(-c2ccc(NC[C@@H](c3ccco3)N(C)C)nc2)[n-]c(=O)c1C ZINC000301329078 498058631 /nfs/dbraw/zinc/05/86/31/498058631.db2.gz AEUYYRKLOPEKCW-HNNXBMFYSA-N -1 3 353.426 3.169 20 0 FGADHM CN(C)c1ccccc1CN(C)C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000578584746 505972961 /nfs/dbraw/zinc/97/29/61/505972961.db2.gz BEFPQKBCBRCZEQ-UHFFFAOYSA-N -1 3 371.387 3.145 20 0 FGADHM O=C(c1ccc(C(=O)N2CCCO[C@H]3CCC[C@@H]32)cc1)c1cccc([O-])c1 ZINC000364652358 498068865 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COc1cccc2c(C(=O)Nc3cc(NC(=O)C4CC4)ccc3C)n[n-]c21 ZINC000289331666 498108372 /nfs/dbraw/zinc/10/83/72/498108372.db2.gz UZGWVHZYRBNPOQ-UHFFFAOYSA-N -1 3 364.405 3.481 20 0 FGADHM CCC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]Cc2c(C)onc2CC)c1 ZINC000292684344 498108413 /nfs/dbraw/zinc/10/84/13/498108413.db2.gz CADQBSLWSYFZRP-UHFFFAOYSA-N -1 3 370.858 3.270 20 0 FGADHM [O-]c1cccc(CN[C@@H]2CCN(c3ncccc3F)C2)c1Br ZINC000578615169 505981472 /nfs/dbraw/zinc/98/14/72/505981472.db2.gz MTSMKVKSTRJJDQ-GFCCVEGCSA-N -1 3 366.234 3.057 20 0 FGADHM O=C([N-]C[C@H]1CCCN(Cc2csc(-c3ccoc3)n2)C1)C(F)(F)F ZINC000289400262 498133050 /nfs/dbraw/zinc/13/30/50/498133050.db2.gz FRUNGJCOFBFAQC-LLVKDONJSA-N -1 3 373.400 3.294 20 0 FGADHM COc1ccc([C@H]2[C@@H](C(=O)Nc3ccccc3[O-])CC(=O)N2C2CC2)cc1 ZINC000364827282 498162524 /nfs/dbraw/zinc/16/25/24/498162524.db2.gz SKPMUOOLIOSSTQ-JXFKEZNVSA-N -1 3 366.417 3.092 20 0 FGADHM CO[C@@H]1[C@H]2C[C@H]3CN(Cc4csc(-c5ccc(C(=O)[O-])cc5)n4)[C@H]1[C@H]3C2 ZINC000572532745 505990895 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RLULDLLMMABQNF-UHFFFAOYSA-N -1 3 353.419 3.166 20 0 FGADHM Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)[N-]OCC(C)(C)O ZINC000286029936 498272169 /nfs/dbraw/zinc/27/21/69/498272169.db2.gz RLULDLLMMABQNF-UHFFFAOYSA-N -1 3 353.419 3.166 20 0 FGADHM O=S(=O)(C[C@H]1CCCCO1)[N-]c1ccc(OCC(F)(F)F)c(F)c1 ZINC000281810083 498277227 /nfs/dbraw/zinc/27/72/27/498277227.db2.gz FZIUITGHNUCZHX-LLVKDONJSA-N -1 3 371.352 3.078 20 0 FGADHM Cc1nc(C)c(S(=O)(=O)[N-]C[C@@H]2CCCC[C@H]2C(F)(F)F)s1 ZINC000331219087 498277384 /nfs/dbraw/zinc/27/73/84/498277384.db2.gz SJFIQSAQSLOTJN-WDEREUQCSA-N -1 3 356.435 3.407 20 0 FGADHM Cc1cccc([C@H](C)N2CCC[C@H](c3n[nH]cc3[N-]S(C)(=O)=O)C2)c1 ZINC000360660936 498293842 /nfs/dbraw/zinc/29/38/42/498293842.db2.gz IBZCESWHFNIZAI-HOCLYGCPSA-N -1 3 362.499 3.030 20 0 FGADHM CCOC(=O)[C@H]([N-]S(=O)(=O)CCC1CCC1)c1cccc(C)c1C ZINC000569770261 506011762 /nfs/dbraw/zinc/01/17/62/506011762.db2.gz QOHDIUQPOSISMS-QGZVFWFLSA-N -1 3 353.484 3.017 20 0 FGADHM CCOC(=O)[C@@H]([N-]S(=O)(=O)CCC1CCC1)c1cccc(C)c1C ZINC000569770260 506011793 /nfs/dbraw/zinc/01/17/93/506011793.db2.gz QOHDIUQPOSISMS-KRWDZBQOSA-N -1 3 353.484 3.017 20 0 FGADHM O=S(=O)([N-]C[C@H]1CCCCC1(F)F)c1cnc(-c2ccccc2)nc1 ZINC000575833344 506013752 /nfs/dbraw/zinc/01/37/52/506013752.db2.gz OVJHNBMNMSEFNA-CQSZACIVSA-N -1 3 367.421 3.247 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)C1(Cc2cccc(F)c2)CCOCC1 ZINC000572624941 506014677 /nfs/dbraw/zinc/01/46/77/506014677.db2.gz TZKREGSTKPVRFW-UHFFFAOYSA-N -1 3 361.388 3.326 20 0 FGADHM C[C@H](CON=C([O-])Nc1cc(F)cc(F)c1F)NC(=O)OC(C)(C)C ZINC000297084114 498317989 /nfs/dbraw/zinc/31/79/89/498317989.db2.gz OETXZRUAPRTDKY-MRVPVSSYSA-N -1 3 363.336 3.070 20 0 FGADHM C[C@H](CO[N-]C(=O)Nc1cc(F)cc(F)c1F)NC(=O)OC(C)(C)C ZINC000297084114 498317992 /nfs/dbraw/zinc/31/79/92/498317992.db2.gz OETXZRUAPRTDKY-MRVPVSSYSA-N -1 3 363.336 3.070 20 0 FGADHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)Cc3csc4nccn34)c2)n1 ZINC000360890697 498319826 /nfs/dbraw/zinc/31/98/26/498319826.db2.gz ZLGLDCWSNXDMCT-UHFFFAOYSA-N -1 3 365.418 3.048 20 0 FGADHM CC(C)(CO)ON=C([O-])Nc1cc(F)c(Br)c(Cl)c1 ZINC000297133828 498328665 /nfs/dbraw/zinc/32/86/65/498328665.db2.gz SMDBXBNTOMHURD-UHFFFAOYSA-N -1 3 355.591 3.066 20 0 FGADHM CC(C)(CO)O[N-]C(=O)Nc1cc(F)c(Br)c(Cl)c1 ZINC000297133828 498328668 /nfs/dbraw/zinc/32/86/68/498328668.db2.gz SMDBXBNTOMHURD-UHFFFAOYSA-N -1 3 355.591 3.066 20 0 FGADHM C[C@H]1C[C@H](c2ccccc2F)N(C(=O)NCc2nnc(C(F)(F)F)[n-]2)C1 ZINC000331432882 498330347 /nfs/dbraw/zinc/33/03/47/498330347.db2.gz BYUZLSWGKXXXSX-JOYOIKCWSA-N -1 3 371.338 3.255 20 0 FGADHM C[C@H]1C[C@H](c2ccccc2F)N(C(=O)NCc2n[n-]c(C(F)(F)F)n2)C1 ZINC000331432882 498330350 /nfs/dbraw/zinc/33/03/50/498330350.db2.gz BYUZLSWGKXXXSX-JOYOIKCWSA-N -1 3 371.338 3.255 20 0 FGADHM C[C@H]1C[C@H](c2ccccc2F)N(C(=O)NCc2nc(C(F)(F)F)n[n-]2)C1 ZINC000331432882 498330354 /nfs/dbraw/zinc/33/03/54/498330354.db2.gz BYUZLSWGKXXXSX-JOYOIKCWSA-N -1 3 371.338 3.255 20 0 FGADHM CSc1ccc(C(=O)N2CCCN(c3cncc(F)c3)CC2)c([O-])c1 ZINC000365194976 498345360 /nfs/dbraw/zinc/34/53/60/498345360.db2.gz DELSHOXSYINKMJ-UHFFFAOYSA-N -1 3 361.442 3.001 20 0 FGADHM Cc1ccc([C@@H]2OCCC[C@@H]2[N-]S(=O)(=O)c2cncc(Cl)c2)cc1 ZINC000331481867 498345793 /nfs/dbraw/zinc/34/57/93/498345793.db2.gz XKZSPZCHUDQIQP-IRXDYDNUSA-N -1 3 366.870 3.242 20 0 FGADHM Cc1ccccc1[C@H]1CCCN1C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000331513737 498356894 /nfs/dbraw/zinc/35/68/94/498356894.db2.gz LISGQYWIEZUBAF-GFCCVEGCSA-N -1 3 353.348 3.179 20 0 FGADHM Cc1ccccc1[C@H]1CCCN1C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000331513737 498356899 /nfs/dbraw/zinc/35/68/99/498356899.db2.gz LISGQYWIEZUBAF-GFCCVEGCSA-N -1 3 353.348 3.179 20 0 FGADHM Cc1ccccc1[C@H]1CCCN1C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000331513737 498356909 /nfs/dbraw/zinc/35/69/09/498356909.db2.gz LISGQYWIEZUBAF-GFCCVEGCSA-N -1 3 353.348 3.179 20 0 FGADHM COc1cc(C(=O)N2CCSC[C@H]2c2ccc(C)o2)cc(OC)c1[O-] ZINC000361198837 498357953 /nfs/dbraw/zinc/35/79/53/498357953.db2.gz AGFHOQDGBDDESV-ZDUSSCGKSA-N -1 3 363.435 3.241 20 0 FGADHM NC(=O)[C@H]1CCCN1Cc1cccc(NCc2cccc([O-])c2Cl)c1 ZINC000293390415 498369036 /nfs/dbraw/zinc/36/90/36/498369036.db2.gz WYFRUZRVEJILIA-MRXNPFEDSA-N -1 3 359.857 3.107 20 0 FGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000286348644 498370965 /nfs/dbraw/zinc/37/09/65/498370965.db2.gz SJGWMJRFQPDXMI-MGPLVRAMSA-N -1 3 372.296 3.444 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@@H]3COC4(CCCCC4)O3)nc2)n1 ZINC000302031164 498375431 /nfs/dbraw/zinc/37/54/31/498375431.db2.gz SDSQBJRCZSYABY-MRXNPFEDSA-N -1 3 370.453 3.294 20 0 FGADHM CCN(CC)[C@H](CNC(=O)N1CCC[C@@H](CC(=O)[O-])C1)c1ccsc1 ZINC000581595395 506024130 /nfs/dbraw/zinc/02/41/30/506024130.db2.gz PUOODMMINCSUGG-GOEBONIOSA-N -1 3 367.515 3.027 20 0 FGADHM CC(C)(C)n1ncnc1CNC(=O)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000282092680 498380204 /nfs/dbraw/zinc/38/02/04/498380204.db2.gz JKEUBQWDONBCDS-UHFFFAOYSA-N -1 3 364.862 3.068 20 0 FGADHM COc1ccc(C(=O)N2CCCC[C@H]2c2nnc(C3CCC3)o2)c([O-])c1 ZINC000286373941 498380345 /nfs/dbraw/zinc/38/03/45/498380345.db2.gz SEAVMIMYGAVXMQ-HNNXBMFYSA-N -1 3 357.410 3.419 20 0 FGADHM Cc1c(S(=O)(=O)[N-][C@@](C)(C2CC2)C(F)(F)F)c2ccccc2n1C ZINC000581622163 506030114 /nfs/dbraw/zinc/03/01/14/506030114.db2.gz VTTWJQVUUZKMQN-HNNXBMFYSA-N -1 3 360.401 3.496 20 0 FGADHM CCOc1cc(CNCc2snnc2C)cc(Br)c1[O-] ZINC000297422585 498444222 /nfs/dbraw/zinc/44/42/22/498444222.db2.gz MLEGLDBAZKCBDL-UHFFFAOYSA-N -1 3 358.261 3.003 20 0 FGADHM C[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)CCO1 ZINC000286600272 498449094 /nfs/dbraw/zinc/44/90/94/498449094.db2.gz XSSRDRVZZXHCAY-WCBMZHEXSA-N -1 3 357.781 3.205 20 0 FGADHM Cc1c(-c2ccncc2)[n-][nH]c1=NC(=O)c1cccc(Oc2cnccn2)c1 ZINC000365417728 498456985 /nfs/dbraw/zinc/45/69/85/498456985.db2.gz BGGOXOLEIDROLI-UHFFFAOYSA-N -1 3 372.388 3.037 20 0 FGADHM Cn1ncc(CN2C[C@@H](C3CCCCC3)C[C@@H]2C(=O)[O-])c1C(F)(F)F ZINC000575936504 506036864 /nfs/dbraw/zinc/03/68/64/506036864.db2.gz WLIBOHSUMAZOFL-GXTWGEPZSA-N -1 3 359.392 3.294 20 0 FGADHM CCOCc1ccccc1C[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000286672052 498470856 /nfs/dbraw/zinc/47/08/56/498470856.db2.gz POBDYWMIFOOUCD-UHFFFAOYSA-N -1 3 374.384 3.115 20 0 FGADHM Cc1ccc([O-])c(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)n1 ZINC000331848590 498475296 /nfs/dbraw/zinc/47/52/96/498475296.db2.gz VURAXTCNRLCNMZ-CQSZACIVSA-N -1 3 373.840 3.240 20 0 FGADHM CCc1nocc1CN(C)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000297514615 498477720 /nfs/dbraw/zinc/47/77/20/498477720.db2.gz ZDKOVEAPYQFLBH-UHFFFAOYSA-N -1 3 368.231 3.047 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@H]3CCCCN3C3CC3)nc2)n1 ZINC000365465443 498480343 /nfs/dbraw/zinc/48/03/43/498480343.db2.gz PMESMVAEBWPRGS-QGZVFWFLSA-N -1 3 353.470 3.235 20 0 FGADHM CC[C@H]1CCC[C@@H](NC(=O)NC2CCN(C(=O)c3cccc([O-])c3)CC2)C1 ZINC000365477892 498487190 /nfs/dbraw/zinc/48/71/90/498487190.db2.gz KKRXBXIFYBKMNM-MAUKXSAKSA-N -1 3 373.497 3.265 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1ccc(OCc2ccccn2)cc1 ZINC000365503209 498500332 /nfs/dbraw/zinc/50/03/32/498500332.db2.gz QTNOBNDAPPGPOT-UHFFFAOYSA-N -1 3 372.388 3.093 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1ccc(OCc2ccccn2)cc1 ZINC000365503209 498500339 /nfs/dbraw/zinc/50/03/39/498500339.db2.gz QTNOBNDAPPGPOT-UHFFFAOYSA-N -1 3 372.388 3.093 20 0 FGADHM Cc1nc([N-]C(=O)c2csc(-c3ccc(OC(C)C)cc3)n2)nn1C ZINC000293833799 498504342 /nfs/dbraw/zinc/50/43/42/498504342.db2.gz CWUSXARONHUOQX-UHFFFAOYSA-N -1 3 357.439 3.287 20 0 FGADHM Cc1ccc([C@H]2C[C@@H]2C(=O)Nc2cc(C)ccc2[N-]S(C)(=O)=O)s1 ZINC000365570546 498537752 /nfs/dbraw/zinc/53/77/52/498537752.db2.gz WOVLGAAHPSFFQY-STQMWFEESA-N -1 3 364.492 3.479 20 0 FGADHM O=C(c1cccc([O-])c1)N1CCN(c2ccnc3c(F)cccc23)CC1 ZINC000302702686 498538574 /nfs/dbraw/zinc/53/85/74/498538574.db2.gz VIVOSKAILLJOBV-UHFFFAOYSA-N -1 3 351.381 3.042 20 0 FGADHM O=S(=O)([N-]CCc1c[nH]c2ccc(F)cc12)c1cc(F)cc(F)c1 ZINC000572799738 506054259 /nfs/dbraw/zinc/05/42/59/506054259.db2.gz YGSHRLCJPWHGKP-UHFFFAOYSA-N -1 3 354.353 3.106 20 0 FGADHM Cc1nc([C@H]([N-]C(=O)C(F)C(F)(F)F)c2ccc(Cl)c(F)c2)no1 ZINC000365639717 498572797 /nfs/dbraw/zinc/57/27/97/498572797.db2.gz AYYAKXKKBGOPCF-NXEZZACHSA-N -1 3 369.677 3.277 20 0 FGADHM Cc1nc([C@@H]([N-]C(=O)C(F)C(F)(F)F)c2ccc(Cl)c(F)c2)no1 ZINC000365639726 498573872 /nfs/dbraw/zinc/57/38/72/498573872.db2.gz AYYAKXKKBGOPCF-VHSXEESVSA-N -1 3 369.677 3.277 20 0 FGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1nc2cc(F)ccc2n1C ZINC000332155126 498582470 /nfs/dbraw/zinc/58/24/70/498582470.db2.gz JKOONPDFTGVEIO-UHFFFAOYSA-N -1 3 357.389 3.066 20 0 FGADHM Cc1cc(C)cc([C@H]2CCN(C(=O)N=c3cc(OC(F)F)n(C)[n-]3)C2)c1 ZINC000332166789 498586323 /nfs/dbraw/zinc/58/63/23/498586323.db2.gz KFQWCDCAHMJBAU-ZDUSSCGKSA-N -1 3 364.396 3.082 20 0 FGADHM CC[C@@](C)(OC)c1noc([C@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000290555711 498595876 /nfs/dbraw/zinc/59/58/76/498595876.db2.gz TTWXXKZKRJSYRQ-ZUZCIYMTSA-N -1 3 373.862 3.034 20 0 FGADHM C[C@@H](CNC(=O)c1c[n-]nc1-c1ccccn1)Oc1ccc(Cl)cc1 ZINC000576035883 506060894 /nfs/dbraw/zinc/06/08/94/506060894.db2.gz VMWTUJWPSLNSGD-LBPRGKRZSA-N -1 3 356.813 3.322 20 0 FGADHM Cc1nc(C(C)C)ccc1CN1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000294194201 498617177 /nfs/dbraw/zinc/61/71/77/498617177.db2.gz REWALPJBWNGQSA-UHFFFAOYSA-N -1 3 357.420 3.404 20 0 FGADHM CC(=O)Nc1c[nH]nc1[C@H]1CCCN(C(=O)c2ccc(C(C)C)cc2[O-])C1 ZINC000332250812 498618918 /nfs/dbraw/zinc/61/89/18/498618918.db2.gz CHGHFCIYXSXEEV-HNNXBMFYSA-N -1 3 370.453 3.217 20 0 FGADHM CC(C)([N-]S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2)C1CCC1 ZINC000572830892 506063418 /nfs/dbraw/zinc/06/34/18/506063418.db2.gz NYJDUVIEFUICEL-UHFFFAOYSA-N -1 3 356.875 3.082 20 0 FGADHM O=S(=O)(C[C@@H]1CCCC1(F)F)[N-]Cc1ncoc1-c1ccccc1 ZINC000581767502 506064075 /nfs/dbraw/zinc/06/40/75/506064075.db2.gz GIAYALSHMUHSRB-ZDUSSCGKSA-N -1 3 356.394 3.196 20 0 FGADHM COCC[S@](=O)Cc1cccc(NCc2c(F)ccc([O-])c2F)c1 ZINC000294250223 498633471 /nfs/dbraw/zinc/63/34/71/498633471.db2.gz NHFCMLXLPPHGNF-DEOSSOPVSA-N -1 3 355.406 3.178 20 0 FGADHM CCOC(=O)N1CCC(NC(=O)CCc2ccc3ccccc3c2[O-])CC1 ZINC000294251353 498634214 /nfs/dbraw/zinc/63/42/14/498634214.db2.gz FSYPVWICKRHZBS-UHFFFAOYSA-N -1 3 370.449 3.215 20 0 FGADHM O=C(c1cccs1)C1CCN(C(=O)c2cc(=O)c3ccccc3[n-]2)CC1 ZINC000365794333 498643659 /nfs/dbraw/zinc/64/36/59/498643659.db2.gz QVWMZIONNALRCW-UHFFFAOYSA-N -1 3 366.442 3.325 20 0 FGADHM C[C@@H]1Cc2ccccc2[C@H]1[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000332327031 498650584 /nfs/dbraw/zinc/65/05/84/498650584.db2.gz PSCQJOCJGUUJBJ-YGRLFVJLSA-N -1 3 356.369 3.312 20 0 FGADHM C[C@@H]1CC([N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)F)C[C@@H](C)O1 ZINC000578989860 506068642 /nfs/dbraw/zinc/06/86/42/506068642.db2.gz VXBGHDBHQNYKKH-RKDXNWHRSA-N -1 3 369.817 3.176 20 0 FGADHM COc1ccc([C@@H]2CCCN2C(=O)c2cccc(OC)c2[O-])cc1OC ZINC000298071404 498655452 /nfs/dbraw/zinc/65/54/52/498655452.db2.gz GFDTZALSWYQDHZ-HNNXBMFYSA-N -1 3 357.406 3.395 20 0 FGADHM CC(=O)c1ccc(C(=O)N2CCN(c3cc(C)ccc3C)CC2)cc1[O-] ZINC000332364804 498663972 /nfs/dbraw/zinc/66/39/72/498663972.db2.gz KKFVSMBIGORYGX-UHFFFAOYSA-N -1 3 352.434 3.174 20 0 FGADHM O=S(=O)([N-]CCOc1ccc(F)c(F)c1)c1ccc(F)cc1Cl ZINC000303341259 498665549 /nfs/dbraw/zinc/66/55/49/498665549.db2.gz WCSKYRMTDFBEGX-UHFFFAOYSA-N -1 3 365.760 3.115 20 0 FGADHM CCCS(=O)(=O)Nc1cccc(NCc2c(F)ccc([O-])c2F)c1 ZINC000294388685 498678340 /nfs/dbraw/zinc/67/83/40/498678340.db2.gz VFIQAROJWOFLPQ-UHFFFAOYSA-N -1 3 356.394 3.434 20 0 FGADHM O=C(CCc1ccc2ccccc2c1[O-])N1CCN(c2ccccn2)CC1 ZINC000294390354 498680425 /nfs/dbraw/zinc/68/04/25/498680425.db2.gz OOALINDGJLOYEF-UHFFFAOYSA-N -1 3 361.445 3.222 20 0 FGADHM CC[C@@H](NC(=O)NCc1ccc([O-])c(F)c1)c1ccc(OC)c(OC)c1 ZINC000287266316 498694750 /nfs/dbraw/zinc/69/47/50/498694750.db2.gz BFNJVJPFNSYTRG-OAHLLOKOSA-N -1 3 362.401 3.499 20 0 FGADHM NC(=O)CCSc1ccccc1[N-]C(=O)c1coc2c1C(=O)CCC2 ZINC000294464747 498701084 /nfs/dbraw/zinc/70/10/84/498701084.db2.gz DWNARODTSOXXHE-UHFFFAOYSA-N -1 3 358.419 3.018 20 0 FGADHM O=C([C@H]1CCCN(Cc2nc3ccsc3c(=O)[n-]2)C1)N1CCCCCC1 ZINC000363239553 498721819 /nfs/dbraw/zinc/72/18/19/498721819.db2.gz XYHWNRDPQPFMON-AWEZNQCLSA-N -1 3 374.510 3.012 20 0 FGADHM O=C(NCCOc1ncc(C(F)(F)F)cc1Cl)c1ccccc1[O-] ZINC000303904781 498727263 /nfs/dbraw/zinc/72/72/63/498727263.db2.gz QKYWQJRLRJIQNO-UHFFFAOYSA-N -1 3 360.719 3.268 20 0 FGADHM O=C(CCCc1csc2ccccc12)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000294555257 498728644 /nfs/dbraw/zinc/72/86/44/498728644.db2.gz WUFYOHKEJSSGBH-CYBMUJFWSA-N -1 3 370.478 3.042 20 0 FGADHM COc1ccc([C@H](C)NC(=O)NCc2ccc([O-])c(F)c2)c(C)c1OC ZINC000287359491 498728950 /nfs/dbraw/zinc/72/89/50/498728950.db2.gz HHPZLCAZDOIHRB-LBPRGKRZSA-N -1 3 362.401 3.417 20 0 FGADHM Cc1c(-c2ccncc2)[n-][nH]c1=NC(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000363255705 498730028 /nfs/dbraw/zinc/73/00/28/498730028.db2.gz BHFQQMKKQXNZKO-DZGCQCFKSA-N -1 3 354.360 3.222 20 0 FGADHM CCC(CC)C(=O)N1CCC(NC(=O)c2cc3c(cc2[O-])CCCC3)CC1 ZINC000332579091 498730609 /nfs/dbraw/zinc/73/06/09/498730609.db2.gz DYQXJPKWHZVPCX-UHFFFAOYSA-N -1 3 372.509 3.428 20 0 FGADHM C[C@@H]1C[C@@H]1C(=O)Nc1ccc(-c2nc(-c3ccc4n[n-]nc4c3)no2)cc1 ZINC000572908986 506081153 /nfs/dbraw/zinc/08/11/53/506081153.db2.gz MNFLKSAZXPWBIC-YGRLFVJLSA-N -1 3 360.377 3.269 20 0 FGADHM COc1ccc(CN2CC[C@H](n3cc(C)cn3)C2)c(Br)c1[O-] ZINC000290975843 498742561 /nfs/dbraw/zinc/74/25/61/498742561.db2.gz SXRQNIUPOWDXBY-ZDUSSCGKSA-N -1 3 366.259 3.115 20 0 FGADHM O=C(Nc1ccccc1[O-])[C@H]1CN(C(=O)c2ccco2)c2ccccc2O1 ZINC000363283949 498746000 /nfs/dbraw/zinc/74/60/00/498746000.db2.gz BZXQCKQXBMTDFN-GOSISDBHSA-N -1 3 364.357 3.032 20 0 FGADHM Cc1cccc(S(=O)(=O)[N-]Cc2ccc(Br)cc2)c1F ZINC000313212801 498765681 /nfs/dbraw/zinc/76/56/81/498765681.db2.gz UWZAVTPSPNTCSF-UHFFFAOYSA-N -1 3 358.232 3.375 20 0 FGADHM O=C(N[C@@H](c1ccccc1)c1cccnc1)c1cc(=O)c2ccccc2[n-]1 ZINC000363335822 498768278 /nfs/dbraw/zinc/76/82/78/498768278.db2.gz WNLJZUQRMVTIMB-NRFANRHFSA-N -1 3 355.397 3.443 20 0 FGADHM C[C@H]1CN(C(=O)NCc2ccc([O-])c(Br)c2)CCC1(F)F ZINC000291061889 498776877 /nfs/dbraw/zinc/77/68/77/498776877.db2.gz PUJMYIOVDPFBIX-VIFPVBQESA-N -1 3 363.202 3.341 20 0 FGADHM Cc1cc(C[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)nc(C)n1 ZINC000572945705 506090002 /nfs/dbraw/zinc/09/00/02/506090002.db2.gz AWJVFXWNWPACDJ-UHFFFAOYSA-N -1 3 364.229 3.018 20 0 FGADHM COCCS(=O)(=O)[N-][C@H](c1nc(C(C)(C)C)cs1)c1ccccc1 ZINC000363386782 498793295 /nfs/dbraw/zinc/79/32/95/498793295.db2.gz USXUYASHANJNPO-HNNXBMFYSA-N -1 3 368.524 3.096 20 0 FGADHM Cc1ccccc1S(=O)(=O)[N-]c1cc(C(=O)N(C)C)ccc1Cl ZINC000320889235 498811052 /nfs/dbraw/zinc/81/10/52/498811052.db2.gz HNTYPMIDUYQQDM-UHFFFAOYSA-N -1 3 352.843 3.151 20 0 FGADHM COc1ccc(COCCC[N-]S(=O)(=O)c2cccc(C)c2F)cc1 ZINC000573004812 506097423 /nfs/dbraw/zinc/09/74/23/506097423.db2.gz SEHDVWHAFANQSJ-UHFFFAOYSA-N -1 3 367.442 3.028 20 0 FGADHM COc1cccc2c(C(=O)Nc3cccc4c3OCC[C@H]4OC)[n-]nc21 ZINC000581968370 506102010 /nfs/dbraw/zinc/10/20/10/506102010.db2.gz FZYKRWICAAZMMH-CQSZACIVSA-N -1 3 353.378 3.294 20 0 FGADHM COc1cccc2c(C(=O)Nc3cccc4c3OCC[C@H]4OC)n[n-]c21 ZINC000581968370 506102012 /nfs/dbraw/zinc/10/20/12/506102012.db2.gz FZYKRWICAAZMMH-CQSZACIVSA-N -1 3 353.378 3.294 20 0 FGADHM CC[C@@H](C(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1)c1ccc(F)cc1 ZINC000291256380 498865631 /nfs/dbraw/zinc/86/56/31/498865631.db2.gz YJDYEMSONDAMCS-IUODEOHRSA-N -1 3 374.378 3.236 20 0 FGADHM C[C@@H]1CCC[C@@]1(O)C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000328232120 498866793 /nfs/dbraw/zinc/86/67/93/498866793.db2.gz DMSGFXIEASJQTQ-NOZJJQNGSA-N -1 3 371.808 3.188 20 0 FGADHM C[C@H]1CC(O)C[C@H](C)N1Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000298815472 498886616 /nfs/dbraw/zinc/88/66/16/498886616.db2.gz AZECCKLPHWUJKO-QWRGUYRKSA-N -1 3 359.451 3.391 20 0 FGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2C[C@@H](C)n3ccnc32)c1Cl ZINC000333079982 498892817 /nfs/dbraw/zinc/89/28/17/498892817.db2.gz LSVFRSMPCPJQQH-MWLCHTKSSA-N -1 3 360.266 3.483 20 0 FGADHM CCN1CCc2c(cccc2[N-]S(=O)(=O)c2ccc(CCOC)cc2)C1 ZINC000366366907 498893634 /nfs/dbraw/zinc/89/36/34/498893634.db2.gz QEXQZJBQNBITBN-UHFFFAOYSA-N -1 3 374.506 3.054 20 0 FGADHM O=C(c1ccccc1[O-])N1CCC[C@H]1C(=O)N1CC[C@@H]1c1ccccc1F ZINC000363596647 498895307 /nfs/dbraw/zinc/89/53/07/498895307.db2.gz FVQFJADZVGXRKQ-MSOLQXFVSA-N -1 3 368.408 3.110 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N3CC[C@H](Oc4ccccc4)C3)c[n-]c12 ZINC000366382620 498902727 /nfs/dbraw/zinc/90/27/27/498902727.db2.gz BBXWWPRNMLHGIF-INIZCTEOSA-N -1 3 366.392 3.269 20 0 FGADHM CC(C)C(=O)c1ccc([C@@H](C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000283514028 498909798 /nfs/dbraw/zinc/90/97/98/498909798.db2.gz QBWRCRXOERYJGK-CYBMUJFWSA-N -1 3 363.421 3.448 20 0 FGADHM CC(C)C(=O)c1ccc([C@@H](C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000283514028 498909806 /nfs/dbraw/zinc/90/98/06/498909806.db2.gz QBWRCRXOERYJGK-CYBMUJFWSA-N -1 3 363.421 3.448 20 0 FGADHM CCc1cc(C(=O)Nc2ccc(NC(=O)[C@@H]3CCCO3)cc2)ccc1[O-] ZINC000291372837 498914835 /nfs/dbraw/zinc/91/48/35/498914835.db2.gz ASIKICARRYVDTQ-SFHVURJKSA-N -1 3 354.406 3.324 20 0 FGADHM CCc1c([N-]C(=O)c2cnc(C3OCCO3)s2)onc1C(F)(F)F ZINC000288052727 498933564 /nfs/dbraw/zinc/93/35/64/498933564.db2.gz XQFFBTPGVWESHY-UHFFFAOYSA-N -1 3 363.317 3.010 20 0 FGADHM C[C@@H]1CC[C@]2(CCN(C(=O)[C@H]3CCCN3C(=O)c3ccccc3[O-])C2)C1 ZINC000333213876 498939669 /nfs/dbraw/zinc/93/96/69/498939669.db2.gz CASDUDBCFSDHBA-CEQIKUNHSA-N -1 3 356.466 3.036 20 0 FGADHM Cc1cc(C)c(C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)cc1Br ZINC000579196223 506115584 /nfs/dbraw/zinc/11/55/84/506115584.db2.gz UEJVRNZWVHXNPT-AWEZNQCLSA-N -1 3 364.243 3.315 20 0 FGADHM CCn1ccnc1[C@H]1OCCC[C@@H]1NC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000333263937 498958638 /nfs/dbraw/zinc/95/86/38/498958638.db2.gz MLQOGOZJSRUTBW-HKUYNNGSSA-N -1 3 369.465 3.138 20 0 FGADHM Cc1ccc(CS(=O)(=O)[N-]Cc2ncoc2-c2ccccc2)c(F)c1 ZINC000366511828 498958912 /nfs/dbraw/zinc/95/89/12/498958912.db2.gz XCXKIOTXZHKVFZ-UHFFFAOYSA-N -1 3 360.410 3.409 20 0 FGADHM Cc1cccc2c(=O)c(C(=O)N3CC[C@H](n4cc(Cl)cn4)C3)c[n-]c12 ZINC000291483904 498959236 /nfs/dbraw/zinc/95/92/36/498959236.db2.gz GFXVMQPQLOOEGJ-ZDUSSCGKSA-N -1 3 356.813 3.186 20 0 FGADHM COC(=O)c1c(C)csc1[N-]C(=O)C(=O)N(C)C[C@H](C)c1ccccc1 ZINC000288179563 498961408 /nfs/dbraw/zinc/96/14/08/498961408.db2.gz XCRWZWGEHKFKDI-LBPRGKRZSA-N -1 3 374.462 3.044 20 0 FGADHM C[C@@H](c1ccc2ccccc2c1)N(C(=O)c1cn(C)c(=O)[n-]c1=O)C1CC1 ZINC000299092446 498962150 /nfs/dbraw/zinc/96/21/50/498962150.db2.gz AHABOVXNTYLOMC-ZDUSSCGKSA-N -1 3 363.417 3.005 20 0 FGADHM O=C1CC[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)[C@@H](C2CC2)N1 ZINC000328889337 498975018 /nfs/dbraw/zinc/97/50/18/498975018.db2.gz QTRRYRSQERVYKE-SMDDNHRTSA-N -1 3 363.266 3.169 20 0 FGADHM CCC(=O)N1CCC[C@@H]1[C@H]1CCCN1C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000363792379 498995411 /nfs/dbraw/zinc/99/54/11/498995411.db2.gz FWXLDWNKVDOMTP-RTBURBONSA-N -1 3 370.493 3.277 20 0 FGADHM C[C@@H]1C[C@@]2(CCO1)CN(C(=O)c1cc([O-])ccc1C(F)(F)F)C[C@H](C)O2 ZINC000366620900 499007154 /nfs/dbraw/zinc/00/71/54/499007154.db2.gz KUGJIRJBWDIBIB-PEBVRCNWSA-N -1 3 373.371 3.210 20 0 FGADHM C[C@@H]1CN(C(=O)c2cc([O-])ccc2C(F)(F)F)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000366620904 499007852 /nfs/dbraw/zinc/00/78/52/499007852.db2.gz KUGJIRJBWDIBIB-QFSBIZTOSA-N -1 3 373.371 3.210 20 0 FGADHM Cc1cc(=O)cc(C)n1CCCC(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000291641026 499020074 /nfs/dbraw/zinc/02/00/74/499020074.db2.gz ITPZHVUYGFDOGE-CQSZACIVSA-N -1 3 354.450 3.491 20 0 FGADHM O=C(CC1(C(=O)[O-])CCCC1)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000299460382 499065815 /nfs/dbraw/zinc/06/58/15/499065815.db2.gz YMBYVVIYJBDKBA-HNNXBMFYSA-N -1 3 364.511 3.111 20 0 FGADHM Cc1nc([C@@H](C)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)oc1-c1ccc(Cl)cc1 ZINC000329227839 499078088 /nfs/dbraw/zinc/07/80/88/499078088.db2.gz BISCLOHVZRZJSL-BXUZGUMPSA-N -1 3 374.828 3.441 20 0 FGADHM O=S(=O)(C[C@H]1CCCC1(F)F)[N-]Cc1cc(-c2ccccc2)on1 ZINC000295740659 499091885 /nfs/dbraw/zinc/09/18/85/499091885.db2.gz PSGTWQBAUVBVGY-CYBMUJFWSA-N -1 3 356.394 3.196 20 0 FGADHM Cc1ccc(N2C[C@@H](c3nc(-c4ccc([O-])cc4)no3)CC2=O)c(F)c1 ZINC000364161007 499125951 /nfs/dbraw/zinc/12/59/51/499125951.db2.gz KGIFURKYRVGRAD-ZDUSSCGKSA-N -1 3 353.353 3.410 20 0 FGADHM COc1cc(C(=O)N2CCSC[C@H]2c2cccs2)cc(OC)c1[O-] ZINC000367039467 499138049 /nfs/dbraw/zinc/13/80/49/499138049.db2.gz XQAFCYGBMDHSLG-LBPRGKRZSA-N -1 3 365.476 3.401 20 0 FGADHM COc1ccc(C[C@H]2CCCN2C(=O)c2cc(OC)c([O-])c(OC)c2)cc1 ZINC000367054431 499140784 /nfs/dbraw/zinc/14/07/84/499140784.db2.gz XXJGOEZRRWVOPY-MRXNPFEDSA-N -1 3 371.433 3.265 20 0 FGADHM CC[C@]1(C)CCCN(C(=O)NC2CCN(C(=O)c3cccc([O-])c3)CC2)C1 ZINC000369873705 499143034 /nfs/dbraw/zinc/14/30/34/499143034.db2.gz UROAYKHKHDZKBR-OAQYLSRUSA-N -1 3 373.497 3.219 20 0 FGADHM CCc1onc(C)c1C(=O)[N-]c1n[nH]c(-c2cccc(OC(F)F)c2)n1 ZINC000369976823 499160146 /nfs/dbraw/zinc/16/01/46/499160146.db2.gz XQJGQNONPBCDMZ-UHFFFAOYSA-N -1 3 363.324 3.184 20 0 FGADHM CCc1cc2c(CN3CCC[C@@H](c4nccn4C)C3)cc(=O)oc2cc1[O-] ZINC000370063181 499173551 /nfs/dbraw/zinc/17/35/51/499173551.db2.gz PNGNEUFITVMFFY-OAHLLOKOSA-N -1 3 367.449 3.174 20 0 FGADHM C/C(=C\c1ccccc1)CN1CCC[C@@H](c2n[nH]cc2[N-]S(C)(=O)=O)C1 ZINC000370071741 499174425 /nfs/dbraw/zinc/17/44/25/499174425.db2.gz IOPBEHGYPXOYJK-GSPCDJLXSA-N -1 3 374.510 3.064 20 0 FGADHM Cc1ccc(C(=O)N2C[C@H]3CCC[C@@]3(c3nc(CC4CC4)no3)C2)c([O-])c1 ZINC000372813367 499178609 /nfs/dbraw/zinc/17/86/09/499178609.db2.gz GQXQERBQDSHOFW-QVKFZJNVSA-N -1 3 367.449 3.230 20 0 FGADHM O=C([N-]CCCN1CCCC[C@H]1c1nc2ccccc2o1)C(F)(F)F ZINC000367622995 499218917 /nfs/dbraw/zinc/21/89/17/499218917.db2.gz LCWDJUSYPJWKIK-ZDUSSCGKSA-N -1 3 355.360 3.423 20 0 FGADHM Cc1cccc(C(=O)N2CCC(n3cc(Br)cn3)CC2)c1[O-] ZINC000370649870 499239909 /nfs/dbraw/zinc/23/99/09/499239909.db2.gz IDJYOIFYVDZONZ-UHFFFAOYSA-N -1 3 364.243 3.137 20 0 FGADHM COc1ccc([O-])c(C(=O)N2CCC3(C[C@H]3c3nnc(C(C)C)o3)CC2)c1 ZINC000370840905 499260985 /nfs/dbraw/zinc/26/09/85/499260985.db2.gz XXCRAFKPCWTCGE-HNNXBMFYSA-N -1 3 371.437 3.317 20 0 FGADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCCC[C@@H]1c1noc(C2CC2)n1 ZINC000370947188 499273095 /nfs/dbraw/zinc/27/30/95/499273095.db2.gz KDSIPPXIUZDBRK-MRXNPFEDSA-N -1 3 364.405 3.156 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@@]3(C)CCO[C@H]3C3CC3)nc2)n1 ZINC000368366844 499289342 /nfs/dbraw/zinc/28/93/42/499289342.db2.gz ITHRCWHWZXLXOO-AZUAARDMSA-N -1 3 354.454 3.424 20 0 FGADHM COc1cc(OC)cc(C2(O)CCN(Cc3cc([O-])cc(F)c3)CC2)c1 ZINC000368367214 499289355 /nfs/dbraw/zinc/28/93/55/499289355.db2.gz NJDKXILHJIYERV-UHFFFAOYSA-N -1 3 361.413 3.032 20 0 FGADHM Cc1ccc(C(=O)NC2CCN(C(=O)c3cccc([O-])c3)CC2)cc1Cl ZINC000371241540 499301406 /nfs/dbraw/zinc/30/14/06/499301406.db2.gz CULFQAWOUIJDBV-UHFFFAOYSA-N -1 3 372.852 3.389 20 0 FGADHM COCc1noc(-c2cccc(NC(=O)c3cccc(OC)c3[O-])c2C)n1 ZINC000371312603 499308923 /nfs/dbraw/zinc/30/89/23/499308923.db2.gz GEJCTJGROOBLDP-UHFFFAOYSA-N -1 3 369.377 3.158 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)c3ccc4c(c3)C(C)(C)CO4)[n-]c21 ZINC000570324770 506142059 /nfs/dbraw/zinc/14/20/59/506142059.db2.gz UFFGAWVOEKAFOH-UHFFFAOYSA-N -1 3 365.389 3.272 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccc4c(c3)C(C)(C)CO4)nc21 ZINC000570324770 506142062 /nfs/dbraw/zinc/14/20/62/506142062.db2.gz UFFGAWVOEKAFOH-UHFFFAOYSA-N -1 3 365.389 3.272 20 0 FGADHM Cc1nnc([C@H]2CC23CCN(C(=O)Cc2ccc([O-])cc2Cl)CC3)o1 ZINC000372029810 499391216 /nfs/dbraw/zinc/39/12/16/499391216.db2.gz AAJTVNDMSATHAV-CQSZACIVSA-N -1 3 361.829 3.076 20 0 FGADHM C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1cc([O-])ccc1Cl ZINC000369347923 499394274 /nfs/dbraw/zinc/39/42/74/499394274.db2.gz YSUSDHLAOINEHA-GFCCVEGCSA-N -1 3 356.813 3.460 20 0 FGADHM Cc1nc(C)c(CCC(=O)N[C@H]2CC[C@@H](c3ccccc3F)C2)c(=O)[n-]1 ZINC000369533533 499413996 /nfs/dbraw/zinc/41/39/96/499413996.db2.gz SZNDPYZPJDDYTC-CABCVRRESA-N -1 3 357.429 3.323 20 0 FGADHM Cc1nc2c(s1)CCC[C@H]2CN(C)C(=O)c1c[n-]c2ccccc2c1=O ZINC000372999649 499446847 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20 0 FGADHM CC(C)[C@@H](NC(=O)CN1CCCC[C@H]1CCC(=O)[O-])c1ccc(F)cc1 ZINC000424258721 500476467 /nfs/dbraw/zinc/47/64/67/500476467.db2.gz MAZNDQTXIHGJDJ-FXAWDEMLSA-N -1 3 364.461 3.358 20 0 FGADHM CCOCCCN1CC[C@H](N=c2nc(C3CCCC3)[n-]s2)[C@H](C)C1 ZINC000420605151 500476770 /nfs/dbraw/zinc/47/67/70/500476770.db2.gz UFIVXQLHTVSYEK-ZBFHGGJFSA-N -1 3 352.548 3.167 20 0 FGADHM C[C@H](c1ccc(F)cc1)N(C)C(=O)CN1CCCC[C@@H]1CCC(=O)[O-] ZINC000424260578 500476996 /nfs/dbraw/zinc/47/69/96/500476996.db2.gz OHFSTRJLOXKLIQ-RHSMWYFYSA-N -1 3 350.434 3.064 20 0 FGADHM C[C@H](NC(=O)CN1CCCC[C@H]1CCC(=O)[O-])c1ccc2c(c1)CCCC2 ZINC000424263658 500477952 /nfs/dbraw/zinc/47/79/52/500477952.db2.gz RYVUNGWIVRWCRO-JXFKEZNVSA-N -1 3 372.509 3.462 20 0 FGADHM Cn1ncc2c1ncc(C(=O)Nc1ncc(-c3ccc(F)cc3)s1)c2[O-] ZINC000432207116 500483787 /nfs/dbraw/zinc/48/37/87/500483787.db2.gz VALPRCWQMLNPNB-UHFFFAOYSA-N -1 3 369.381 3.189 20 0 FGADHM CCS[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(F)ccc1OC(F)F ZINC000420665772 500485506 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O=C(Nc1n[n-]c(-c2ccccn2)n1)c1cccc(F)c1Br ZINC000432424528 500514614 /nfs/dbraw/zinc/51/46/14/500514614.db2.gz JIDMFBUTMUWXNI-UHFFFAOYSA-N -1 3 362.162 3.021 20 0 FGADHM CC(C)[C@H](C(=O)[O-])[C@H](C)NCc1nc2cc(C(F)(F)F)ccc2n1C ZINC000424614496 500528553 /nfs/dbraw/zinc/52/85/53/500528553.db2.gz CKRUPVYXKLWBRN-BONVTDFDSA-N -1 3 357.376 3.427 20 0 FGADHM CCc1ccccc1NC(=O)NC[C@H](Cc1ccc([O-])c(F)c1)C(=O)OC ZINC000421043127 500562688 /nfs/dbraw/zinc/56/26/88/500562688.db2.gz PXKGDLHSTOGCRJ-HNNXBMFYSA-N -1 3 374.412 3.247 20 0 FGADHM COC(=O)C[C@H](NC(=O)c1ccc([O-])c(C)c1)c1ccc(SC)cc1 ZINC000436930323 500572375 /nfs/dbraw/zinc/57/23/75/500572375.db2.gz WYHWKEWCTOUQBM-INIZCTEOSA-N -1 3 359.447 3.457 20 0 FGADHM COc1cccc(C(=O)N[C@H](c2ccc3c(c2)OCCO3)C(C)C)c1[O-] ZINC000436935398 500574034 /nfs/dbraw/zinc/57/40/34/500574034.db2.gz PEPQZYWWCKMXAU-SFHVURJKSA-N -1 3 357.406 3.299 20 0 FGADHM COc1cccc(-c2nc(-c3cccc(OCC(F)(F)F)n3)no2)c1[O-] ZINC000436945262 500575954 /nfs/dbraw/zinc/57/59/54/500575954.db2.gz MTOVUAJKPLHRJI-UHFFFAOYSA-N -1 3 367.283 3.454 20 0 FGADHM CC(C)CNS(=O)(=O)c1ccc(-c2noc(-c3ccccc3[O-])n2)cc1 ZINC000436941913 500575975 /nfs/dbraw/zinc/57/59/75/500575975.db2.gz FFXQTBSTGGLZSK-UHFFFAOYSA-N -1 3 373.434 3.044 20 0 FGADHM CCN(CC)CCN(Cc1cccs1)C(=O)C(=O)c1ccc([O-])cc1 ZINC000436948751 500576804 /nfs/dbraw/zinc/57/68/04/500576804.db2.gz VEQYCAHMJGYPFD-UHFFFAOYSA-N -1 3 360.479 3.007 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N(Cc2ccc(F)cc2)C(C)C)c([O-])c1 ZINC000436955672 500578128 /nfs/dbraw/zinc/57/81/28/500578128.db2.gz HWQNBFJIYKJDNP-UHFFFAOYSA-N -1 3 372.440 3.397 20 0 FGADHM CC(C)OC[C@H](CO)N(C)C(=O)c1cc(C(C)C)cc(C(C)C)c1[O-] ZINC000436953470 500578441 /nfs/dbraw/zinc/57/84/41/500578441.db2.gz PSCSYZGALUBTMV-INIZCTEOSA-N -1 3 351.487 3.497 20 0 FGADHM CC[C@H]1C[C@H](C)CN1C(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000436964027 500580985 /nfs/dbraw/zinc/58/09/85/500580985.db2.gz LGEVVBIYRJAVRH-FZMZJTMJSA-N -1 3 357.410 3.202 20 0 FGADHM 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O=S(=O)([N-][C@H]1C[C@H]1c1cccc(F)c1)c1cnccc1C(F)(F)F ZINC000435433552 500975398 /nfs/dbraw/zinc/97/53/98/500975398.db2.gz OJHUJMOCHJNZGL-AAEUAGOBSA-N -1 3 360.332 3.074 20 0 FGADHM CCOc1cc(-c2noc(Cn3cnc(-c4ccccc4)n3)n2)ccc1[O-] ZINC000445428164 500983790 /nfs/dbraw/zinc/98/37/90/500983790.db2.gz URKVECPNPHEVCB-UHFFFAOYSA-N -1 3 363.377 3.148 20 0 FGADHM CCOc1cc(-c2noc(-c3cccc4c3O[C@@H](C)C(=O)N4)n2)ccc1[O-] ZINC000445433289 500984821 /nfs/dbraw/zinc/98/48/21/500984821.db2.gz XZJBRMSOKZIZLS-JTQLQIEISA-N -1 3 367.361 3.227 20 0 FGADHM O=C(NCCc1nnc(-c2ccccc2)[nH]1)c1ccc2ccccc2c1[O-] ZINC000440312800 500995989 /nfs/dbraw/zinc/99/59/89/500995989.db2.gz OTOBSACPHYRAAL-UHFFFAOYSA-N -1 3 358.401 3.303 20 0 FGADHM COc1ccccc1O[C@@H](C)CNC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000440320724 500996605 /nfs/dbraw/zinc/99/66/05/500996605.db2.gz ZTSJUFLJPSLDON-ZDUSSCGKSA-N -1 3 371.433 3.312 20 0 FGADHM COc1ccc(O[C@H](C)C[N-]S(=O)(=O)c2cc(C)c(F)cc2F)cc1 ZINC000440400020 501005250 /nfs/dbraw/zinc/00/52/50/501005250.db2.gz UMYHQMNUUXRCET-GFCCVEGCSA-N -1 3 371.405 3.028 20 0 FGADHM COC(=O)c1ccsc1[N-]C(=O)C(=O)Nc1csc2ccccc12 ZINC000440501654 501016297 /nfs/dbraw/zinc/01/62/97/501016297.db2.gz FSHRCQWOCUNOAN-UHFFFAOYSA-N -1 3 360.416 3.327 20 0 FGADHM Cc1ccc(-c2nc(CC(=O)N(C)Cc3ccccc3)no2)c([O-])c1C ZINC000445680648 501019069 /nfs/dbraw/zinc/01/90/69/501019069.db2.gz HUNGBELMAQIUKM-UHFFFAOYSA-N -1 3 351.406 3.260 20 0 FGADHM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(C)c(OC)cc2C)c1 ZINC000435737928 501020846 /nfs/dbraw/zinc/02/08/46/501020846.db2.gz NBOKVHXSTRSQHE-UHFFFAOYSA-N -1 3 363.435 3.208 20 0 FGADHM Cc1c(NCc2cc([O-])ccc2Br)cnn1[C@@H]1CCOC1 ZINC000449539428 501028474 /nfs/dbraw/zinc/02/84/74/501028474.db2.gz VNJYEJIZPQWFMW-GFCCVEGCSA-N -1 3 352.232 3.233 20 0 FGADHM COc1nnc(NC(=O)c2c(C)onc2-c2cccc(Cl)c2Cl)[n-]1 ZINC000435807206 501031432 /nfs/dbraw/zinc/03/14/32/501031432.db2.gz HXUAKAQAQIZSDS-UHFFFAOYSA-N -1 3 368.180 3.336 20 0 FGADHM COc1n[n-]c(NC(=O)c2c(C)onc2-c2cccc(Cl)c2Cl)n1 ZINC000435807206 501031435 /nfs/dbraw/zinc/03/14/35/501031435.db2.gz HXUAKAQAQIZSDS-UHFFFAOYSA-N -1 3 368.180 3.336 20 0 FGADHM CCNC(=O)Nc1ccc(C)c(NC(=O)c2n[n-]nc2-c2ccccc2)c1 ZINC000435919051 501046288 /nfs/dbraw/zinc/04/62/88/501046288.db2.gz VKCALQYWHZQMNA-UHFFFAOYSA-N -1 3 364.409 3.174 20 0 FGADHM CO[C@@H]1CCN(C(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)[C@H](C)C1 ZINC000440931058 501065278 /nfs/dbraw/zinc/06/52/78/501065278.db2.gz IUQVIRGHMVLZBS-MLGOLLRUSA-N -1 3 356.426 3.189 20 0 FGADHM CO[C@H]1CCN(C(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)[C@@H](C)C1 ZINC000440931057 501065468 /nfs/dbraw/zinc/06/54/68/501065468.db2.gz IUQVIRGHMVLZBS-LRDDRELGSA-N -1 3 356.426 3.189 20 0 FGADHM COC[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1Cl)c1ccc(F)cc1 ZINC000436177517 501084516 /nfs/dbraw/zinc/08/45/16/501084516.db2.gz RADVKHKZVQIJKJ-CQSZACIVSA-N -1 3 361.797 3.284 20 0 FGADHM COC[C@H]([N-]S(=O)(=O)c1ccc(F)cc1Cl)c1ccc(F)cc1 ZINC000436177515 501084608 /nfs/dbraw/zinc/08/46/08/501084608.db2.gz RADVKHKZVQIJKJ-AWEZNQCLSA-N -1 3 361.797 3.284 20 0 FGADHM COC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)c1ccc(F)cc1 ZINC000436182895 501085309 /nfs/dbraw/zinc/08/53/09/501085309.db2.gz QYJSLKMAVMFJGE-CQSZACIVSA-N -1 3 361.797 3.284 20 0 FGADHM CC(=O)[C@H](Cc1ccc(F)cc1F)Sc1n[n-]c(-c2ccccn2)n1 ZINC000436199511 501088242 /nfs/dbraw/zinc/08/82/42/501088242.db2.gz UDVPXBWZCZWKJG-HNNXBMFYSA-N -1 3 360.389 3.437 20 0 FGADHM CCOc1nc2cc(C(=O)NC3CCN(c4ccccc4)CC3)ccc2[n-]1 ZINC000449820652 501096785 /nfs/dbraw/zinc/09/67/85/501096785.db2.gz MYRVJUOTQKNWAI-UHFFFAOYSA-N -1 3 364.449 3.360 20 0 FGADHM CCOc1nc2ccc(C(=O)NC3CCN(c4ccccc4)CC3)cc2[n-]1 ZINC000449820652 501096787 /nfs/dbraw/zinc/09/67/87/501096787.db2.gz MYRVJUOTQKNWAI-UHFFFAOYSA-N -1 3 364.449 3.360 20 0 FGADHM CCOCc1nc(C)c(C(=O)Nc2ccc(C(=O)OCC)cc2[O-])s1 ZINC000449874634 501114391 /nfs/dbraw/zinc/11/43/91/501114391.db2.gz BUVGREKKKDCUMK-UHFFFAOYSA-N -1 3 364.423 3.123 20 0 FGADHM CCOC(=O)c1ccc(NC(=O)[C@H](C)OCCc2ccccc2)c([O-])c1 ZINC000449874621 501114647 /nfs/dbraw/zinc/11/46/47/501114647.db2.gz BSYHWLAZCQOWDF-AWEZNQCLSA-N -1 3 357.406 3.155 20 0 FGADHM CCOC(=O)CC1(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)CC1 ZINC000436478374 501134382 /nfs/dbraw/zinc/13/43/82/501134382.db2.gz PXCAZTJUQKFOMO-UHFFFAOYSA-N -1 3 352.239 3.221 20 0 FGADHM COCC[C@]1(NC(=O)c2cc(CCc3ccccc3)ccc2[O-])CCOC1 ZINC000446577470 501136511 /nfs/dbraw/zinc/13/65/11/501136511.db2.gz MCQLKVWEEYDWCK-QFIPXVFZSA-N -1 3 369.461 3.103 20 0 FGADHM CCOC(=O)c1cc(C(=O)[N-]c2ccc(F)cc2OC(C)(C)C)on1 ZINC000450511373 501140464 /nfs/dbraw/zinc/14/04/64/501140464.db2.gz QHHWYOMNOGXBSM-UHFFFAOYSA-N -1 3 350.346 3.420 20 0 FGADHM CC(C)c1ccc(C(=O)N(C)C[C@@H](O)COCc2ccccc2)c([O-])c1 ZINC000436510561 501144015 /nfs/dbraw/zinc/14/40/15/501144015.db2.gz DSTNDDZMNKXMTP-GOSISDBHSA-N -1 3 357.450 3.165 20 0 FGADHM COc1ccc(C(=O)N[C@@]2(Cc3ccc(Cl)cc3)CCOC2)c([O-])c1 ZINC000436519791 501146822 /nfs/dbraw/zinc/14/68/22/501146822.db2.gz YORCJJUIOBPDCI-LJQANCHMSA-N -1 3 361.825 3.186 20 0 FGADHM C[C@@H](NC(=O)c1cc(Oc2ccccc2)ccc1[O-])C(=O)NC(C)(C)C ZINC000436532551 501149100 /nfs/dbraw/zinc/14/91/00/501149100.db2.gz KNAYUTYQBXSMRH-CYBMUJFWSA-N -1 3 356.422 3.218 20 0 FGADHM COC(=O)COc1c(C)cc(-c2nc(-c3ccc([O-])cc3)no2)cc1C ZINC000436532595 501149221 /nfs/dbraw/zinc/14/92/21/501149221.db2.gz KVOBSNWHBPSDIC-UHFFFAOYSA-N -1 3 354.362 3.278 20 0 FGADHM C[C@@H](CNC(=O)c1cc(Oc2ccccc2)ccc1[O-])Cn1ccnc1 ZINC000436535433 501149862 /nfs/dbraw/zinc/14/98/62/501149862.db2.gz KNBNEFCNCHTSRS-HNNXBMFYSA-N -1 3 351.406 3.447 20 0 FGADHM C[C@@H](CS(=O)(=O)c1ccc(F)cc1)c1nc(-c2ccc([O-])cc2)no1 ZINC000436533776 501150107 /nfs/dbraw/zinc/15/01/07/501150107.db2.gz NLJARWCKBNTCMQ-NSHDSACASA-N -1 3 362.382 3.159 20 0 FGADHM Cc1ccc(C(=O)Nc2ccc(CC(=O)N3CCSCC3)cc2)c([O-])c1 ZINC000436533641 501150299 /nfs/dbraw/zinc/15/02/99/501150299.db2.gz MUSWCCINVXOSCV-UHFFFAOYSA-N -1 3 370.474 3.071 20 0 FGADHM Cc1ccc(C(=O)N(C)[C@@H](c2cnn(C)c2)c2cccc(F)c2)c([O-])c1 ZINC000436536450 501150337 /nfs/dbraw/zinc/15/03/37/501150337.db2.gz QJLZMEWPJUYCJI-LJQANCHMSA-N -1 3 353.397 3.435 20 0 FGADHM CC[C@H](CNC(=O)c1cc(F)c([O-])c(F)c1)N1CCc2ccccc2C1 ZINC000436534231 501150472 /nfs/dbraw/zinc/15/04/72/501150472.db2.gz WHXOIECGKACLRW-MRXNPFEDSA-N -1 3 360.404 3.237 20 0 FGADHM COc1ccc(C(=O)NCC2CCN(Cc3cccs3)CC2)c([O-])c1 ZINC000436538715 501150854 /nfs/dbraw/zinc/15/08/54/501150854.db2.gz JJNPGULMZPIAIZ-UHFFFAOYSA-N -1 3 360.479 3.104 20 0 FGADHM CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436537338 501151177 /nfs/dbraw/zinc/15/11/77/501151177.db2.gz DXKQLGIHLZVDES-ZIAGYGMSSA-N -1 3 356.422 3.218 20 0 FGADHM CCCC[C@@H](CCC)C[N-]S(=O)(=O)c1ccc(CNC(C)=O)s1 ZINC000441536458 501152669 /nfs/dbraw/zinc/15/26/69/501152669.db2.gz QOZRQZRUCCMVJF-CQSZACIVSA-N -1 3 360.545 3.269 20 0 FGADHM CCc1ccc2c(c1)[C@@H](CCNC(=O)c1ccc(C)c(C)c1[O-])C(=O)N2 ZINC000436548097 501153353 /nfs/dbraw/zinc/15/33/53/501153353.db2.gz RURCERWRNCJXEZ-OAHLLOKOSA-N -1 3 352.434 3.427 20 0 FGADHM CCOC(=O)CN(CCc1ccccc1)C(=O)c1ccc(C)c(C)c1[O-] ZINC000436550783 501155471 /nfs/dbraw/zinc/15/54/71/501155471.db2.gz UTVRSMYKIVECPI-UHFFFAOYSA-N -1 3 355.434 3.257 20 0 FGADHM O=C(N[C@@H]1CCc2c[nH]nc2C1)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436585194 501163298 /nfs/dbraw/zinc/16/32/98/501163298.db2.gz PHINERYVQKXFLC-GOSISDBHSA-N -1 3 361.445 3.188 20 0 FGADHM C[C@@H]1CCC[C@H](CNC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])[C@H]1C ZINC000436600078 501166940 /nfs/dbraw/zinc/16/69/40/501166940.db2.gz ZSBJMQFIIUCMFA-HPFXQQBRSA-N -1 3 358.482 3.185 20 0 FGADHM CC[C@@H]1CN(c2ccccc2)CCN1C(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000436609366 501169105 /nfs/dbraw/zinc/16/91/05/501169105.db2.gz KYAGLTKHXAMEHH-QGZVFWFLSA-N -1 3 367.449 3.092 20 0 FGADHM O=C(Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)[C@@H]1CCCC(=O)N1 ZINC000436609110 501169310 /nfs/dbraw/zinc/16/93/10/501169310.db2.gz RJRDQXQTTZLWEX-AWEZNQCLSA-N -1 3 367.430 3.276 20 0 FGADHM C[C@H]1C[C@@H](NC(=O)c2cc(Cl)cc(Br)c2[O-])CN1C1CC1 ZINC000436640976 501176216 /nfs/dbraw/zinc/17/62/16/501176216.db2.gz SFSKLDMAGTZWSW-WCBMZHEXSA-N -1 3 373.678 3.163 20 0 FGADHM Cc1ccc(NC(=O)c2c([O-])cccc2O)cc1OCC1CCOCC1 ZINC000436647104 501177999 /nfs/dbraw/zinc/17/79/99/501177999.db2.gz KGLODEONVRVMKA-UHFFFAOYSA-N -1 3 357.406 3.464 20 0 FGADHM Cc1ccc([C@H]2CCCN2C(=O)CCNC(=O)c2ccc(C)cc2[O-])cc1 ZINC000436661583 501181510 /nfs/dbraw/zinc/18/15/10/501181510.db2.gz DFHDJQCSSKKYPD-LJQANCHMSA-N -1 3 366.461 3.493 20 0 FGADHM Cc1ccc(C(=O)N[C@@H]2CC(=O)N(c3ccccc3Cl)C2)c([O-])c1C ZINC000436676406 501186452 /nfs/dbraw/zinc/18/64/52/501186452.db2.gz ZXQBWAPZDXUETO-CYBMUJFWSA-N -1 3 358.825 3.198 20 0 FGADHM O=C(c1ccccc1[O-])N(CCCOc1ccccc1)C1CCOCC1 ZINC000436680533 501187038 /nfs/dbraw/zinc/18/70/38/501187038.db2.gz JZDHQQUCLVVKDL-UHFFFAOYSA-N -1 3 355.434 3.483 20 0 FGADHM Cc1ccc(C(=O)NCCc2nc(-c3ccc4cc[nH]c4c3)no2)c([O-])c1 ZINC000436686130 501188690 /nfs/dbraw/zinc/18/86/90/501188690.db2.gz CYSIXKDTWGUMRC-UHFFFAOYSA-N -1 3 362.389 3.204 20 0 FGADHM Cc1ccc(C(=O)N[C@@H]2CCCN([C@H](C)c3ccc(F)cc3)C2=O)c([O-])c1 ZINC000436697475 501190437 /nfs/dbraw/zinc/19/04/37/501190437.db2.gz TUEUZYVZGBBWET-RDTXWAMCSA-N -1 3 370.424 3.322 20 0 FGADHM Cc1ccc([O-])c(C(=O)N[C@H]2CCCN([C@@H](C)c3ccc(F)cc3)C2=O)c1 ZINC000436699096 501191719 /nfs/dbraw/zinc/19/17/19/501191719.db2.gz QCRILORIDXQZPY-KSSFIOAISA-N -1 3 370.424 3.322 20 0 FGADHM CCc1cc(C(=O)Nc2cccc(N3C(=O)N[C@H](CC)C3=O)c2)ccc1[O-] ZINC000436712325 501194581 /nfs/dbraw/zinc/19/45/81/501194581.db2.gz FVTDPZJMCCWIOZ-MRXNPFEDSA-N -1 3 367.405 3.042 20 0 FGADHM O=C(c1c([O-])cccc1O)N1CCO[C@H](c2ccccc2C(F)(F)F)C1 ZINC000436715695 501195263 /nfs/dbraw/zinc/19/52/63/501195263.db2.gz MACISSCVXJWYNX-HNNXBMFYSA-N -1 3 367.323 3.330 20 0 FGADHM CCOC(=O)c1c(C(C)C)csc1[N-]C(=O)C(=O)N1[C@@H](C)CC[C@@H]1C ZINC000442079264 501195912 /nfs/dbraw/zinc/19/59/12/501195912.db2.gz LBIXKOUDLWBTPH-RYUDHWBXSA-N -1 3 366.483 3.386 20 0 FGADHM C[C@@H](CNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])c1ccc(F)cc1 ZINC000436722451 501197100 /nfs/dbraw/zinc/19/71/00/501197100.db2.gz NMRFXAMRTVUPOJ-KSSFIOAISA-N -1 3 370.424 3.056 20 0 FGADHM Cc1ccc(C(=O)N[C@@H](c2nccn2C)c2ccc(F)cc2)c([O-])c1C ZINC000436755722 501204773 /nfs/dbraw/zinc/20/47/73/501204773.db2.gz MMHPZTQBVVKSRU-QGZVFWFLSA-N -1 3 353.397 3.401 20 0 FGADHM O=C(NCc1ccccc1Cn1ccnc1)c1cc2c(cc1[O-])CCCC2 ZINC000436755677 501204883 /nfs/dbraw/zinc/20/48/83/501204883.db2.gz OHTFSMLVXACZDK-UHFFFAOYSA-N -1 3 361.445 3.446 20 0 FGADHM COc1cc(C)cc(C(=O)Nc2ccc(C(=O)NC(C)(C)C)cc2)c1[O-] ZINC000436756529 501205704 /nfs/dbraw/zinc/20/57/04/501205704.db2.gz QYRCPHSXEOXHOG-UHFFFAOYSA-N -1 3 356.422 3.490 20 0 FGADHM O=C(Nc1cccc(Cl)c1)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436777968 501209913 /nfs/dbraw/zinc/20/99/13/501209913.db2.gz ORTWUXLFGBFMLA-UHFFFAOYSA-N -1 3 373.840 3.472 20 0 FGADHM CCn1cnc(S(=O)(=O)[N-][C@H](c2ccccc2F)C2CCCC2)c1 ZINC000447157350 501210105 /nfs/dbraw/zinc/21/01/05/501210105.db2.gz MXIUALSUGZYCTO-KRWDZBQOSA-N -1 3 351.447 3.252 20 0 FGADHM Cc1cc(CS(=O)(=O)[N-][C@@H](c2ccccc2)c2cccc(F)c2)on1 ZINC000447161763 501210639 /nfs/dbraw/zinc/21/06/39/501210639.db2.gz BLODRDHBOWADGQ-SFHVURJKSA-N -1 3 360.410 3.331 20 0 FGADHM COc1cc(-c2noc(CN3c4ccccc4CCCC3=O)n2)ccc1[O-] ZINC000436788518 501211751 /nfs/dbraw/zinc/21/17/51/501211751.db2.gz GXLKBJOTFSCKMZ-UHFFFAOYSA-N -1 3 365.389 3.320 20 0 FGADHM Cc1cccc(CN(C)C(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])c1C ZINC000436803040 501214118 /nfs/dbraw/zinc/21/41/18/501214118.db2.gz MCLLHTJPQCNNTE-LJQANCHMSA-N -1 3 366.461 3.272 20 0 FGADHM CCOCCCNC(=O)c1cccc(NC(=O)c2ccc(CC)cc2[O-])c1 ZINC000436810360 501215077 /nfs/dbraw/zinc/21/50/77/501215077.db2.gz ABQZHZNDHRRAKI-UHFFFAOYSA-N -1 3 370.449 3.363 20 0 FGADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)Nc1ccc(Cl)cc1O ZINC000436812844 501215422 /nfs/dbraw/zinc/21/54/22/501215422.db2.gz NXBTXKMSDKBSRG-UHFFFAOYSA-N -1 3 358.785 3.163 20 0 FGADHM Cn1[nH]c(=O)c2c1nc(C1CC1)cc2C(=O)Nc1ccc(Cl)cc1[O-] ZINC000436812844 501215423 /nfs/dbraw/zinc/21/54/23/501215423.db2.gz NXBTXKMSDKBSRG-UHFFFAOYSA-N -1 3 358.785 3.163 20 0 FGADHM CCc1ccc(C(=O)NCCc2nc(-c3ccncc3)cs2)c([O-])c1 ZINC000436817222 501215647 /nfs/dbraw/zinc/21/56/47/501215647.db2.gz AAUJFOKAYBJKEG-UHFFFAOYSA-N -1 3 353.447 3.446 20 0 FGADHM CCc1ccc(C(=O)NCc2ccc(NC(=O)NC(C)C)cc2)c([O-])c1 ZINC000436818613 501216456 /nfs/dbraw/zinc/21/64/56/501216456.db2.gz KSJBUSDSHGKWFB-UHFFFAOYSA-N -1 3 355.438 3.415 20 0 FGADHM COc1ccc(C(=O)NCc2ccncc2OCc2ccccc2)c([O-])c1 ZINC000436823483 501217021 /nfs/dbraw/zinc/21/70/21/501217021.db2.gz BCFLTESPKHKELJ-UHFFFAOYSA-N -1 3 364.401 3.305 20 0 FGADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CCN(c2ccc(F)cc2)CC1 ZINC000436828466 501217893 /nfs/dbraw/zinc/21/78/93/501217893.db2.gz YKXIRRFGAMFMRX-UHFFFAOYSA-N -1 3 354.425 3.373 20 0 FGADHM CCNC(=O)N1CCc2ccc(NC(=O)c3ccc(CC)cc3[O-])cc21 ZINC000436830405 501218173 /nfs/dbraw/zinc/21/81/73/501218173.db2.gz CWLHDFYCPNQWQI-UHFFFAOYSA-N -1 3 353.422 3.299 20 0 FGADHM O=C(Nc1cc(F)cc(F)c1F)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436838137 501218820 /nfs/dbraw/zinc/21/88/20/501218820.db2.gz QFMYTJOMYHAFCG-AWEZNQCLSA-N -1 3 364.323 3.053 20 0 FGADHM CC(C)COc1ccccc1CN1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436845187 501219980 /nfs/dbraw/zinc/21/99/80/501219980.db2.gz RVFPOBUBHPRIIY-UHFFFAOYSA-N -1 3 368.477 3.385 20 0 FGADHM CC(C)c1ccc(C(=O)N2CCNC(=O)[C@H]2c2ccccc2Cl)c([O-])c1 ZINC000436842991 501220232 /nfs/dbraw/zinc/22/02/32/501220232.db2.gz ZREVDEOWPLMUMX-GOSISDBHSA-N -1 3 372.852 3.482 20 0 FGADHM CN(CCOc1ccc(C(F)(F)F)cc1)C(=O)c1c([O-])cccc1O ZINC000436853561 501221747 /nfs/dbraw/zinc/22/17/47/501221747.db2.gz KIXGYAGPMQDKIY-UHFFFAOYSA-N -1 3 355.312 3.268 20 0 FGADHM COC(=O)[C@H]1CCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])[C@@H]1C ZINC000436864357 501223529 /nfs/dbraw/zinc/22/35/29/501223529.db2.gz YOEVWCVGTAUJNR-QAPCUYQASA-N -1 3 367.445 3.201 20 0 FGADHM COC(=O)[C@H]1CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])[C@H]1C ZINC000436866894 501224145 /nfs/dbraw/zinc/22/41/45/501224145.db2.gz ZMAIDSQVLWEFPA-BBRMVZONSA-N -1 3 355.390 3.208 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N(C)Cc2cc(C)ccc2C)c([O-])c1 ZINC000436872407 501224838 /nfs/dbraw/zinc/22/48/38/501224838.db2.gz WHWCELXPFAQVSS-UHFFFAOYSA-N -1 3 354.450 3.096 20 0 FGADHM CCC1(CC)[C@H](OC)C[C@H]1N(C)C(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000436878426 501226272 /nfs/dbraw/zinc/22/62/72/501226272.db2.gz CPOVCTUYDKPAIR-HZPDHXFCSA-N -1 3 351.443 3.075 20 0 FGADHM COc1cccc([C@H]2[C@H](NC(=O)c3cccc(C)c3[O-])CCN2C2CC2)c1 ZINC000436884512 501227061 /nfs/dbraw/zinc/22/70/61/501227061.db2.gz AMGGDBBLLYCWMY-UXHICEINSA-N -1 3 366.461 3.417 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N[C@@H](CC(C)(C)C)C(F)(F)F)c([O-])c1 ZINC000436889743 501228091 /nfs/dbraw/zinc/22/80/91/501228091.db2.gz XMKZHDWCDCVNCA-AWEZNQCLSA-N -1 3 374.403 3.304 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N[C@H]2CCCc3ccc(F)cc32)c([O-])c1 ZINC000436891293 501228658 /nfs/dbraw/zinc/22/86/58/501228658.db2.gz FRTFWMXAUNWPJI-SFHVURJKSA-N -1 3 370.424 3.153 20 0 FGADHM CN(C)CCOc1ccccc1CNC(=O)c1cc2ccccc2cc1[O-] ZINC000436892608 501228720 /nfs/dbraw/zinc/22/87/20/501228720.db2.gz KPDREIRZEWTGKB-UHFFFAOYSA-N -1 3 364.445 3.416 20 0 FGADHM Cc1c2ccc(F)cc2sc1C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000436901036 501229717 /nfs/dbraw/zinc/22/97/17/501229717.db2.gz LCPVFMPLELYHSO-UHFFFAOYSA-N -1 3 372.421 3.214 20 0 FGADHM Cc1c(Br)cccc1CN1CCC(c2n[n-]c(=O)o2)CC1 ZINC000450918863 501229873 /nfs/dbraw/zinc/22/98/73/501229873.db2.gz KUWYFRVRKPVTPA-UHFFFAOYSA-N -1 3 352.232 3.226 20 0 FGADHM CCCCSCCC(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436903202 501230317 /nfs/dbraw/zinc/23/03/17/501230317.db2.gz SKXQWHPJBIMYLI-UHFFFAOYSA-N -1 3 364.511 3.036 20 0 FGADHM CCC[C@H](NC(=O)c1ccc([O-])c(C)c1)C(=O)N1CCc2sccc2C1 ZINC000436902146 501230404 /nfs/dbraw/zinc/23/04/04/501230404.db2.gz JBMJMSQHJRSJOV-INIZCTEOSA-N -1 3 372.490 3.246 20 0 FGADHM CC(=O)c1[n-]c(=NC2CCN(C(=O)c3ccc(C)cc3)CC2)sc1C ZINC000450307659 501230656 /nfs/dbraw/zinc/23/06/56/501230656.db2.gz ZCMRLHLVJBNGNI-UHFFFAOYSA-N -1 3 357.479 3.101 20 0 FGADHM COc1ccc(C(=O)N(CCc2ccccn2)Cc2cccnc2)c([O-])c1 ZINC000436909927 501230724 /nfs/dbraw/zinc/23/07/24/501230724.db2.gz ZWQFGIJVGJGBJD-UHFFFAOYSA-N -1 3 363.417 3.076 20 0 FGADHM O=C(NC[C@@H]1CCCCN1C1CC1)c1cc(F)cc(Br)c1[O-] ZINC000436908632 501230754 /nfs/dbraw/zinc/23/07/54/501230754.db2.gz WDVZUVVNDKJKGF-LBPRGKRZSA-N -1 3 371.250 3.041 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NC[C@H]2CC[C@@H](C)C2)c1 ZINC000436915687 501231876 /nfs/dbraw/zinc/23/18/76/501231876.db2.gz RVVQJBNWZPGRDB-YPMHNXCESA-N -1 3 357.410 3.107 20 0 FGADHM Cc1cc(F)ccc1NC(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436918933 501232484 /nfs/dbraw/zinc/23/24/84/501232484.db2.gz LETFXGQIFAYVAY-UHFFFAOYSA-N -1 3 371.412 3.266 20 0 FGADHM O=C(NCc1noc(C2CC2)n1)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436918439 501232618 /nfs/dbraw/zinc/23/26/18/501232618.db2.gz ILJCNPFBGJROST-UHFFFAOYSA-N -1 3 363.417 3.368 20 0 FGADHM CC(C)c1ccc(C(=O)N[C@H](C)Cn2ncc3ccccc3c2=O)c([O-])c1 ZINC000436920781 501233013 /nfs/dbraw/zinc/23/30/13/501233013.db2.gz SUTZZHMOZJVRKB-CQSZACIVSA-N -1 3 365.433 3.044 20 0 FGADHM COc1cccc(-c2nc(-c3ccc4c(c3)[C@H](SC)C(=O)N4)no2)c1[O-] ZINC000436926897 501233650 /nfs/dbraw/zinc/23/36/50/501233650.db2.gz MCCIKMPPQSXXSZ-HNNXBMFYSA-N -1 3 369.402 3.474 20 0 FGADHM CCOc1ccc([N-]S(=O)(=O)C[C@@H](OC)c2ccccc2)cc1OC ZINC000450975507 501236204 /nfs/dbraw/zinc/23/62/04/501236204.db2.gz XHBFQVZMINSWTB-GOSISDBHSA-N -1 3 365.451 3.223 20 0 FGADHM CC[C@@H](CC(F)(F)F)C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000451125463 501247182 /nfs/dbraw/zinc/24/71/82/501247182.db2.gz MLGTWUPKKCRPTJ-QMMMGPOBSA-N -1 3 364.165 3.436 20 0 FGADHM Cc1sc(C[N-]S(=O)(=O)C[C@H]2CCCC2(F)F)nc1C(C)C ZINC000451189826 501250919 /nfs/dbraw/zinc/25/09/19/501250919.db2.gz PWGMQPZPSUBBJK-LLVKDONJSA-N -1 3 352.472 3.430 20 0 FGADHM Cc1csc(S(=O)(=O)[N-]C[C@H]2CCCN(C)[C@@H]2c2cccs2)c1 ZINC000451241175 501254248 /nfs/dbraw/zinc/25/42/48/501254248.db2.gz KGONPMDTJFPSII-CJNGLKHVSA-N -1 3 370.565 3.479 20 0 FGADHM O=C(Nc1ccc(OC(F)(F)F)cc1[O-])c1ccc(N2CCC2)nc1 ZINC000451243010 501254299 /nfs/dbraw/zinc/25/42/99/501254299.db2.gz AJJGTQUJYNUNPE-UHFFFAOYSA-N -1 3 353.300 3.148 20 0 FGADHM C[C@@H]1CN(CCN(C)C(=O)CCc2ccc3ccccc3c2[O-])C[C@H](C)O1 ZINC000451289282 501257756 /nfs/dbraw/zinc/25/77/56/501257756.db2.gz VJHVYNDAGFLPPP-CALCHBBNSA-N -1 3 370.493 3.046 20 0 FGADHM C[N-]S(=O)(=O)c1cc(NC(=O)N2CC[C@H](CC(C)(C)C)C2)ccc1F ZINC000455410119 501295115 /nfs/dbraw/zinc/29/51/15/501295115.db2.gz ZWHDQYPEUKOXBW-GFCCVEGCSA-N -1 3 371.478 3.024 20 0 FGADHM Cc1csc(S(=O)(=O)[N-]C[C@H]2CCCN(c3ccccc3)C2)c1 ZINC000451480032 501302120 /nfs/dbraw/zinc/30/21/20/501302120.db2.gz NZRWIYPCLOHTBY-OAHLLOKOSA-N -1 3 350.509 3.251 20 0 FGADHM C[N-]S(=O)(=O)c1cc(NC(=O)Cc2cccc(C(C)C)c2)ccc1F ZINC000457804676 501312940 /nfs/dbraw/zinc/31/29/40/501312940.db2.gz KBMMFCUONXMUOT-UHFFFAOYSA-N -1 3 364.442 3.038 20 0 FGADHM CN(C)C[C@@H]([N-]S(=O)(=O)c1sccc1Cl)c1ccc(F)cc1 ZINC000451550304 501320558 /nfs/dbraw/zinc/32/05/58/501320558.db2.gz IKZDCBOXNRPIGD-CYBMUJFWSA-N -1 3 362.879 3.122 20 0 FGADHM COC(=O)c1sccc1S(=O)(=O)[N-]Cc1cc(C2CC2)ccc1F ZINC000451644870 501342565 /nfs/dbraw/zinc/34/25/65/501342565.db2.gz WITUATFRYSCAEJ-UHFFFAOYSA-N -1 3 369.439 3.030 20 0 FGADHM COc1cccc(NC(=O)[C@@H](c2ccccc2)N2CC[C@@](C)(C(=O)[O-])C2)c1 ZINC000455639275 501353472 /nfs/dbraw/zinc/35/34/72/501353472.db2.gz OJWCEDYNFPXHQH-WIYYLYMNSA-N -1 3 368.433 3.172 20 0 FGADHM CC(C)[C@@H]1C[C@H]1NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000458109672 501373885 /nfs/dbraw/zinc/37/38/85/501373885.db2.gz GDKJOWMKRSKGOW-XUVXKRRUSA-N -1 3 366.461 3.414 20 0 FGADHM CC[C@@H]1C[C@H]1C[N-]S(=O)(=O)c1c2ccccc2sc1C(=O)OC ZINC000451830341 501381300 /nfs/dbraw/zinc/38/13/00/501381300.db2.gz VBLGVVJSCNIBQN-MNOVXSKESA-N -1 3 353.465 3.012 20 0 FGADHM CCCc1ncc(C[N-]S(=O)(=O)c2ccc(OCC(C)C)cc2)o1 ZINC000451957740 501408640 /nfs/dbraw/zinc/40/86/40/501408640.db2.gz JYGGDMJQPUSBDX-UHFFFAOYSA-N -1 3 352.456 3.140 20 0 FGADHM CCO[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000452054734 501426144 /nfs/dbraw/zinc/42/61/44/501426144.db2.gz AKRPFBYUMXQERB-NXEZZACHSA-N -1 3 368.282 3.238 20 0 FGADHM Cc1csc([C@@H]([N-]C(=O)c2cnc(C(F)(F)F)nc2)C(F)(F)F)n1 ZINC000452235208 501464432 /nfs/dbraw/zinc/46/44/32/501464432.db2.gz KUEUHERGRRVKJO-SSDOTTSWSA-N -1 3 370.278 3.294 20 0 FGADHM COCC[C@H](NC(=O)c1cc(C)nc(=O)[n-]1)c1cccc(C(F)(F)F)c1 ZINC000456302490 501492915 /nfs/dbraw/zinc/49/29/15/501492915.db2.gz VBBZURYAGCTZFE-ZDUSSCGKSA-N -1 3 369.343 3.017 20 0 FGADHM O=C(c1cc2c(cc1[O-])CCCC2)N1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000452505738 501515909 /nfs/dbraw/zinc/51/59/09/501515909.db2.gz SHMNHYPCIJLYKL-KNQAVFIVSA-N -1 3 369.436 3.211 20 0 FGADHM CS(=O)(=O)[N-]c1ccc(C(=O)N2CC3(CCC3)[C@@H]2c2ccco2)cc1 ZINC000456550702 501546961 /nfs/dbraw/zinc/54/69/61/501546961.db2.gz CKGVPRFCHZVNFR-INIZCTEOSA-N -1 3 360.435 3.019 20 0 FGADHM C[C@H](NC(=O)c1cc([O-])ccc1Cl)C(=O)N1c2ccccc2C[C@H]1C ZINC000456646349 501565910 /nfs/dbraw/zinc/56/59/10/501565910.db2.gz OMXFVBNGJRBOAN-NEPJUHHUSA-N -1 3 358.825 3.142 20 0 FGADHM CC[C@H](NC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O)C1CCCC1 ZINC000456667856 501571172 /nfs/dbraw/zinc/57/11/72/501571172.db2.gz UUGJHYJGBMYUQB-SFHVURJKSA-N -1 3 368.481 3.158 20 0 FGADHM CC[C@H]1[C@@H](CO)CCN1C(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000452964275 501593683 /nfs/dbraw/zinc/59/36/83/501593683.db2.gz UWGBOVAVBZUWBU-APWZRJJASA-N -1 3 355.434 3.204 20 0 FGADHM O=C(c1ccc2n[n-]nc2c1)N1CCC(Cc2c(F)cccc2F)CC1 ZINC000456815161 501604393 /nfs/dbraw/zinc/60/43/93/501604393.db2.gz WLMPERBIHUCEOV-UHFFFAOYSA-N -1 3 356.376 3.331 20 0 FGADHM CC(=O)Nc1ccc(S(=O)(=O)[N-][C@@H]2CCc3ccc(C)cc32)c(F)c1 ZINC000592822139 506263233 /nfs/dbraw/zinc/26/32/33/506263233.db2.gz VBVDAXBHVXUJTL-QGZVFWFLSA-N -1 3 362.426 3.058 20 0 FGADHM CCOC(=O)C[C@H](NC(=O)c1ccc(C(C)C)cc1[O-])c1ccncc1 ZINC000456918218 501619295 /nfs/dbraw/zinc/61/92/95/501619295.db2.gz MYZFPJNAKHPQDV-KRWDZBQOSA-N -1 3 356.422 3.335 20 0 FGADHM COc1ccc(C(=O)C2CCN(Cc3cc(=O)[n-]c(C4CC4)n3)CC2)cc1 ZINC000459299033 501627114 /nfs/dbraw/zinc/62/71/14/501627114.db2.gz UIRAMVMSIHQRHX-UHFFFAOYSA-N -1 3 367.449 3.163 20 0 FGADHM CC(C)N(C)C(=O)C1CCN(Cc2cccc([O-])c2Br)CC1 ZINC000459328906 501631819 /nfs/dbraw/zinc/63/18/19/501631819.db2.gz PKMDHOVNQAVTFS-UHFFFAOYSA-N -1 3 369.303 3.234 20 0 FGADHM COCCCOC1CCN(Cc2cccc([O-])c2Br)CC1 ZINC000459351839 501637079 /nfs/dbraw/zinc/63/70/79/501637079.db2.gz ULKKBPCXTLMNCX-UHFFFAOYSA-N -1 3 358.276 3.172 20 0 FGADHM COC(=O)[C@@H]1CCCC[C@@]1(C)NCc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000459379666 501642994 /nfs/dbraw/zinc/64/29/94/501642994.db2.gz SSNCYRNYAFKVGN-OXJNMPFZSA-N -1 3 355.438 3.061 20 0 FGADHM C[C@H](NCc1cc(=O)[n-]c(C2CC2)n1)c1cccc(N2CCCC2=O)c1 ZINC000459386920 501644129 /nfs/dbraw/zinc/64/41/29/501644129.db2.gz CAOQLLRHBBLCEB-ZDUSSCGKSA-N -1 3 352.438 3.037 20 0 FGADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CC[C@H](CCCO)C1 ZINC000457116874 501653414 /nfs/dbraw/zinc/65/34/14/501653414.db2.gz NYEJYTPXPRWCCC-IBGZPJMESA-N -1 3 353.462 3.412 20 0 FGADHM Cn1ccnc1C[C@@H]1CCCN(Cc2cccc([O-])c2Br)C1 ZINC000459468209 501658948 /nfs/dbraw/zinc/65/89/48/501658948.db2.gz BOMLLNTYPVCGTA-ZDUSSCGKSA-N -1 3 364.287 3.343 20 0 FGADHM C[C@H](NCc1cc(=O)[n-]c(C2CC2)n1)c1ccc(-n2cccn2)c(F)c1 ZINC000459487916 501662773 /nfs/dbraw/zinc/66/27/73/501662773.db2.gz NWKLOIKKSSZQLJ-LBPRGKRZSA-N -1 3 353.401 3.235 20 0 FGADHM CCC(=O)c1cccc(S(=O)(=O)[N-]CC(F)(F)c2ccccc2)c1 ZINC000582515857 506267236 /nfs/dbraw/zinc/26/72/36/506267236.db2.gz KPWYFNAXEAQVSN-UHFFFAOYSA-N -1 3 353.390 3.350 20 0 FGADHM COC(=O)[C@H]1CCN(Cc2cccc([O-])c2Br)[C@H]1C(C)C ZINC000459558559 501676393 /nfs/dbraw/zinc/67/63/93/501676393.db2.gz OAJHTMCVHAMICT-WFASDCNBSA-N -1 3 356.260 3.174 20 0 FGADHM CCOc1cc(CNCc2cnccc2OC)cc(Br)c1[O-] ZINC000459564372 501677788 /nfs/dbraw/zinc/67/77/88/501677788.db2.gz WFGJAOCLQXPXGL-UHFFFAOYSA-N -1 3 367.243 3.247 20 0 FGADHM Cn1[n-]c(=NC(=O)N2CCC[C@@H]2c2ccc(F)cc2F)cc1OC(F)F ZINC000455216222 501709274 /nfs/dbraw/zinc/70/92/74/501709274.db2.gz UUTXDCPYEFLWPW-GFCCVEGCSA-N -1 3 372.322 3.091 20 0 FGADHM COC(=O)C1([N-]S(=O)(=O)c2oc3ccc(Cl)cc3c2C)CCCC1 ZINC000470559999 501726912 /nfs/dbraw/zinc/72/69/12/501726912.db2.gz SRQFMMVDEXJUCA-UHFFFAOYSA-N -1 3 371.842 3.159 20 0 FGADHM CC[C@H](Cc1cccc(Br)c1)C(=O)Nc1nnc(SC)[n-]1 ZINC000467176763 501728145 /nfs/dbraw/zinc/72/81/45/501728145.db2.gz QPXIADSRBWGOIS-SNVBAGLBSA-N -1 3 369.288 3.497 20 0 FGADHM CC[C@H](Cc1cccc(Br)c1)C(=O)Nc1nc(SC)n[n-]1 ZINC000467176763 501728147 /nfs/dbraw/zinc/72/81/47/501728147.db2.gz QPXIADSRBWGOIS-SNVBAGLBSA-N -1 3 369.288 3.497 20 0 FGADHM CC[C@H](Cc1cccc(Br)c1)C(=O)Nc1n[n-]c(SC)n1 ZINC000467176763 501728149 /nfs/dbraw/zinc/72/81/49/501728149.db2.gz QPXIADSRBWGOIS-SNVBAGLBSA-N -1 3 369.288 3.497 20 0 FGADHM Cc1nc(C)c(Cc2nc(-c3ccccc3Br)no2)c(=O)[n-]1 ZINC000460136404 501736666 /nfs/dbraw/zinc/73/66/66/501736666.db2.gz BJQVUGFYEIIDBF-UHFFFAOYSA-N -1 3 361.199 3.202 20 0 FGADHM CC(C)C[C@@H]([N-]S(=O)(=O)Cc1cccc(F)c1)C(=O)OC(C)(C)C ZINC000470599034 501738459 /nfs/dbraw/zinc/73/84/59/501738459.db2.gz CUBJLVKGHCIFKI-OAHLLOKOSA-N -1 3 359.463 3.002 20 0 FGADHM CCN1CCC[C@@H]([N-]S(=O)(=O)c2oc3ccc(Cl)cc3c2C)C1 ZINC000470600820 501740247 /nfs/dbraw/zinc/74/02/47/501740247.db2.gz JKBHLRSZKKNWTF-CYBMUJFWSA-N -1 3 356.875 3.157 20 0 FGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]C[C@@H](C)N(C)C1CC1 ZINC000470611677 501743392 /nfs/dbraw/zinc/74/33/92/501743392.db2.gz PEFNSLBYDHDDNN-SNVBAGLBSA-N -1 3 356.875 3.156 20 0 FGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]C[C@@H](C)C(=O)OC(C)C ZINC000470615750 501744441 /nfs/dbraw/zinc/74/44/41/501744441.db2.gz ZHYDEVFXCAYGPV-SNVBAGLBSA-N -1 3 373.858 3.261 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1cncc(Br)c1)[C@@H](C)c1ccccc1 ZINC000474213588 501747200 /nfs/dbraw/zinc/74/72/00/501747200.db2.gz ZLGGPAAWNSPDKK-VXGBXAGGSA-N -1 3 369.284 3.315 20 0 FGADHM CCCn1nc(C)c(C(=O)N=c2cc(-c3cc(F)cc(F)c3)[n-][nH]2)c1C ZINC000470638453 501752737 /nfs/dbraw/zinc/75/27/37/501752737.db2.gz ROYICTIHHYOPHC-UHFFFAOYSA-N -1 3 359.380 3.252 20 0 FGADHM CCc1c(C(=O)Nc2nc(C)ccc2[O-])cnn1-c1ccccc1OC ZINC000470645406 501754579 /nfs/dbraw/zinc/75/45/79/501754579.db2.gz VPPKVLTZGPOIAQ-UHFFFAOYSA-N -1 3 352.394 3.105 20 0 FGADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)COc3cc(F)cc(F)c3)cc2)n1 ZINC000463578606 501766508 /nfs/dbraw/zinc/76/65/08/501766508.db2.gz PJAMSAQMEGCVSO-UHFFFAOYSA-N -1 3 371.343 3.041 20 0 FGADHM Cc1cc(C)cc(-c2cc(=NC(=O)[C@@H]3CCCN3c3nccs3)[nH][n-]2)c1 ZINC000460279294 501779087 /nfs/dbraw/zinc/77/90/87/501779087.db2.gz GHQCCSQYWZIZHN-INIZCTEOSA-N -1 3 367.478 3.179 20 0 FGADHM CCCS(=O)(=O)[N-]c1ccc(C(=O)Nc2cccc3c2CCO3)cc1 ZINC000477759920 501780155 /nfs/dbraw/zinc/78/01/55/501780155.db2.gz NUESVCJEZQRXGJ-UHFFFAOYSA-N -1 3 360.435 3.026 20 0 FGADHM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1ccc(OCC(C)(C)O)cc1 ZINC000485392005 501806722 /nfs/dbraw/zinc/80/67/22/501806722.db2.gz SFTCPZQVYWWJGT-UHFFFAOYSA-N -1 3 367.442 3.393 20 0 FGADHM Cc1ccncc1N1CCN(Cc2cc([O-])ccc2Br)CC1 ZINC000467549608 501823665 /nfs/dbraw/zinc/82/36/65/501823665.db2.gz BJKKIRHFZKLRDT-UHFFFAOYSA-N -1 3 362.271 3.180 20 0 FGADHM COCc1nc(S[C@@H](C(=O)OC)c2ccc(Cl)cc2Cl)n[n-]1 ZINC000474409526 501826556 /nfs/dbraw/zinc/82/65/56/501826556.db2.gz MEKIMORKWZRNEP-LLVKDONJSA-N -1 3 362.238 3.264 20 0 FGADHM Cc1c(C(=O)N=c2cc(-c3cc(F)cc(F)c3)[n-][nH]2)cnn1C(C)(C)C ZINC000467709220 501849747 /nfs/dbraw/zinc/84/97/47/501849747.db2.gz RKDJPKHKGZFRDG-UHFFFAOYSA-N -1 3 359.380 3.289 20 0 FGADHM O=C(N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1)c1ccc2c(c1)OCCCO2 ZINC000467713852 501850269 /nfs/dbraw/zinc/85/02/69/501850269.db2.gz FXSATRFBGBAYQJ-UHFFFAOYSA-N -1 3 371.343 3.190 20 0 FGADHM CCc1cc(C(=O)N2CCC(C(=O)NCc3ccccc3)CC2)ccc1[O-] ZINC000485544705 501853671 /nfs/dbraw/zinc/85/36/71/501853671.db2.gz KWHLKVRLXSPREN-UHFFFAOYSA-N -1 3 366.461 3.123 20 0 FGADHM CCc1cc(C(=O)N(C)[C@@H](C)c2ccc(-n3cncn3)cc2)ccc1[O-] ZINC000485560552 501860946 /nfs/dbraw/zinc/86/09/46/501860946.db2.gz QDUQXOMVYWJQBV-AWEZNQCLSA-N -1 3 350.422 3.369 20 0 FGADHM CCOc1ccc(Oc2ccccc2[N-]S(=O)(=O)N(C)CC)cc1 ZINC000467765325 501864836 /nfs/dbraw/zinc/86/48/36/501864836.db2.gz CLMDDFBRQUDBQE-UHFFFAOYSA-N -1 3 350.440 3.486 20 0 FGADHM COC(=O)c1cc(F)cc([N-]C(=O)c2coc(Br)c2)c1F ZINC000478093502 501879021 /nfs/dbraw/zinc/87/90/21/501879021.db2.gz YEMFAGYFMVVXFO-UHFFFAOYSA-N -1 3 360.110 3.359 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)[C@@H](c1ccccc1)N(C)C ZINC000474582637 501884290 /nfs/dbraw/zinc/88/42/90/501884290.db2.gz YLSDNUGDPGCGPK-PXAZEXFGSA-N -1 3 370.877 3.449 20 0 FGADHM CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2ccccc2[O-])CC1 ZINC000588371517 506279830 /nfs/dbraw/zinc/27/98/30/506279830.db2.gz HLLOWOXTKXSTHF-HNNXBMFYSA-N -1 3 371.456 3.164 20 0 FGADHM Cc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)c(Br)s1 ZINC000471027420 501896436 /nfs/dbraw/zinc/89/64/36/501896436.db2.gz FJIDIXVZHCUHTK-UHFFFAOYSA-N -1 3 364.228 3.251 20 0 FGADHM Cc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)c(Br)s1 ZINC000471027420 501896440 /nfs/dbraw/zinc/89/64/40/501896440.db2.gz FJIDIXVZHCUHTK-UHFFFAOYSA-N -1 3 364.228 3.251 20 0 FGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)[C@@H]1CCSc2ccccc21 ZINC000460691038 501897354 /nfs/dbraw/zinc/89/73/54/501897354.db2.gz PZXWPCVGARSFAS-CYBMUJFWSA-N -1 3 362.476 3.276 20 0 FGADHM Cc1nc(C)c(S(=O)(=O)[N-][C@@H](C)c2cccc(OC(F)F)c2)s1 ZINC000481856416 501900236 /nfs/dbraw/zinc/90/02/36/501900236.db2.gz GDWLPHYFTOIIMK-QMMMGPOBSA-N -1 3 362.423 3.401 20 0 FGADHM Cc1ccc(-c2csc(NC(=O)CNC(=O)c3cccc([O-])c3)n2)s1 ZINC000474630906 501901232 /nfs/dbraw/zinc/90/12/32/501901232.db2.gz RQONIUOESNPGML-UHFFFAOYSA-N -1 3 373.459 3.254 20 0 FGADHM CCCC(C)(C)CC(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000485691704 501903645 /nfs/dbraw/zinc/90/36/45/501903645.db2.gz JCCDIEFVINKLKE-UHFFFAOYSA-N -1 3 356.463 3.421 20 0 FGADHM CCN(CC)[C@@H](C[N-]S(=O)(=O)c1sc(C)nc1C)c1ccsc1 ZINC000481866685 501903700 /nfs/dbraw/zinc/90/37/00/501903700.db2.gz KLYYRGSHVJTLRS-AWEZNQCLSA-N -1 3 373.569 3.183 20 0 FGADHM CCCCc1nc(C(=O)OCC)c(NC(=O)c2ccc3nsnc3c2)[n-]1 ZINC000485703139 501907891 /nfs/dbraw/zinc/90/78/91/501907891.db2.gz FQBIABVZAQDMGT-UHFFFAOYSA-N -1 3 373.438 3.186 20 0 FGADHM CCCCc1nc(NC(=O)c2ccc3nsnc3c2)c(C(=O)OCC)[n-]1 ZINC000485703139 501907898 /nfs/dbraw/zinc/90/78/98/501907898.db2.gz FQBIABVZAQDMGT-UHFFFAOYSA-N -1 3 373.438 3.186 20 0 FGADHM C[C@H](CSc1ccc(F)cc1)C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000481906159 501914310 /nfs/dbraw/zinc/91/43/10/501914310.db2.gz CUOPDKADFQIFSH-MRVPVSSYSA-N -1 3 362.352 3.007 20 0 FGADHM C[C@H](CSc1ccc(F)cc1)C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000481906159 501914315 /nfs/dbraw/zinc/91/43/15/501914315.db2.gz CUOPDKADFQIFSH-MRVPVSSYSA-N -1 3 362.352 3.007 20 0 FGADHM C[C@H](CSc1ccc(F)cc1)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000481906159 501914318 /nfs/dbraw/zinc/91/43/18/501914318.db2.gz CUOPDKADFQIFSH-MRVPVSSYSA-N -1 3 362.352 3.007 20 0 FGADHM COC(=O)c1ccc(F)c([N-]C(=O)c2nc(C)sc2Br)c1 ZINC000485725387 501915808 /nfs/dbraw/zinc/91/58/08/501915808.db2.gz NUMSOKMTDPLSCW-UHFFFAOYSA-N -1 3 373.203 3.392 20 0 FGADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)[C@@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000481911009 501916407 /nfs/dbraw/zinc/91/64/07/501916407.db2.gz PFIAXILKUZEEOX-NKWVEPMBSA-N -1 3 362.714 3.036 20 0 FGADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)[C@@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000481911009 501916409 /nfs/dbraw/zinc/91/64/09/501916409.db2.gz PFIAXILKUZEEOX-NKWVEPMBSA-N -1 3 362.714 3.036 20 0 FGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)[C@@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000481911009 501916414 /nfs/dbraw/zinc/91/64/14/501916414.db2.gz PFIAXILKUZEEOX-NKWVEPMBSA-N -1 3 362.714 3.036 20 0 FGADHM Cc1ccc(NC(=O)NCc2ncccc2[O-])c(-c2nc(C3CC3)no2)c1 ZINC000467971632 501917304 /nfs/dbraw/zinc/91/73/04/501917304.db2.gz WXLWWNBKNVBNAN-UHFFFAOYSA-N -1 3 365.393 3.345 20 0 FGADHM COc1ccccc1C(=O)C[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000464199167 501919633 /nfs/dbraw/zinc/91/96/33/501919633.db2.gz PZQHDEPSYWAHOU-UHFFFAOYSA-N -1 3 374.245 3.163 20 0 FGADHM O=C(CC1(CSc2ccccc2)CC1)NCc1nnc(C(F)(F)F)[n-]1 ZINC000481933103 501922614 /nfs/dbraw/zinc/92/26/14/501922614.db2.gz FXXWQJABMUKMGA-UHFFFAOYSA-N -1 3 370.400 3.402 20 0 FGADHM O=C(CC1(CSc2ccccc2)CC1)NCc1n[n-]c(C(F)(F)F)n1 ZINC000481933103 501922620 /nfs/dbraw/zinc/92/26/20/501922620.db2.gz FXXWQJABMUKMGA-UHFFFAOYSA-N -1 3 370.400 3.402 20 0 FGADHM O=C(CC1(CSc2ccccc2)CC1)NCc1nc(C(F)(F)F)n[n-]1 ZINC000481933103 501922624 /nfs/dbraw/zinc/92/26/24/501922624.db2.gz FXXWQJABMUKMGA-UHFFFAOYSA-N -1 3 370.400 3.402 20 0 FGADHM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(OCC(F)F)cc3)ccc2O1 ZINC000481961786 501930816 /nfs/dbraw/zinc/93/08/16/501930816.db2.gz VQWGWWISSKHGAL-NSHDSACASA-N -1 3 369.389 3.455 20 0 FGADHM COc1ccc(O[C@@H](C)C(=O)Nc2nnc(-c3c(F)cccc3F)[n-]2)cc1 ZINC000478309232 501938430 /nfs/dbraw/zinc/93/84/30/501938430.db2.gz CXFHYRPHJABOEI-JTQLQIEISA-N -1 3 374.347 3.165 20 0 FGADHM COc1ccc(O[C@@H](C)C(=O)Nc2nc(-c3c(F)cccc3F)n[n-]2)cc1 ZINC000478309232 501938436 /nfs/dbraw/zinc/93/84/36/501938436.db2.gz CXFHYRPHJABOEI-JTQLQIEISA-N -1 3 374.347 3.165 20 0 FGADHM COc1ccc(O[C@@H](C)C(=O)Nc2n[n-]c(-c3c(F)cccc3F)n2)cc1 ZINC000478309232 501938441 /nfs/dbraw/zinc/93/84/41/501938441.db2.gz CXFHYRPHJABOEI-JTQLQIEISA-N -1 3 374.347 3.165 20 0 FGADHM Nc1c(=O)[n-]c(=O)[nH]c1C(=O)Nc1ccccc1Oc1ccc(Cl)cc1 ZINC000468061428 501943800 /nfs/dbraw/zinc/94/38/00/501943800.db2.gz WKPWJVCXLOAMHS-UHFFFAOYSA-N -1 3 372.768 3.168 20 0 FGADHM CC[C@H]1CCCN(C(=O)N=c2cc3ccc(Br)cn3[n-]2)C1 ZINC000482085705 501969277 /nfs/dbraw/zinc/96/92/77/501969277.db2.gz UMLUMKWSSTWAPV-NSHDSACASA-N -1 3 351.248 3.173 20 0 FGADHM CCc1nc(NC(=O)CCCc2ccc([O-])c(F)c2)sc1C(=O)OC ZINC000471301092 501983859 /nfs/dbraw/zinc/98/38/59/501983859.db2.gz NXOZXHYZWNKAEG-UHFFFAOYSA-N -1 3 366.414 3.298 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)Cc3ccc4n[nH]cc4c3)c2)n1 ZINC000474903477 501986153 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O=C(NCc1n[n-]c(C(F)(F)F)n1)C1(c2ccccc2F)CCCC1 ZINC000482243743 502018008 /nfs/dbraw/zinc/01/80/08/502018008.db2.gz PENDPDORZMCICX-UHFFFAOYSA-N -1 3 356.323 3.091 20 0 FGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)C1(c2ccccc2F)CCCC1 ZINC000482243743 502018011 /nfs/dbraw/zinc/01/80/11/502018011.db2.gz PENDPDORZMCICX-UHFFFAOYSA-N -1 3 356.323 3.091 20 0 FGADHM C[C@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1ccc2c(c1)NC(=O)CO2 ZINC000468323499 502024557 /nfs/dbraw/zinc/02/45/57/502024557.db2.gz MPJMLEOBYGQOQL-LBPRGKRZSA-N -1 3 372.396 3.062 20 0 FGADHM COC(=O)c1ccc(CN(C)C(=O)CCCc2ccc([O-])c(F)c2)cc1 ZINC000468330930 502026830 /nfs/dbraw/zinc/02/68/30/502026830.db2.gz IRIACNVQIJLCCA-UHFFFAOYSA-N -1 3 359.397 3.299 20 0 FGADHM C[C@H](Oc1cccc(F)c1)C(=O)N=c1nc(-c2ccccc2Cl)[n-]n1C ZINC000461234307 502046903 /nfs/dbraw/zinc/04/69/03/502046903.db2.gz CBDGGCGOVLXWMT-NSHDSACASA-N -1 3 374.803 3.103 20 0 FGADHM COC(=O)c1ccc(Cl)c(C=Cc2cc(=O)[n-]c(-c3ccncc3)n2)c1 ZINC000486103064 502047474 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CCOc1nc2ccc(C(=O)Nc3ccc(N4CCCC4)cn3)cc2[n-]1 ZINC000469891822 502586213 /nfs/dbraw/zinc/58/62/13/502586213.db2.gz GYVYYJGYDHORPK-UHFFFAOYSA-N -1 3 351.410 3.209 20 0 FGADHM CCOc1nc2cc(C(=O)Nc3ccc(N4CCCC4)cn3)ccc2[n-]1 ZINC000469891822 502586216 /nfs/dbraw/zinc/58/62/16/502586216.db2.gz GYVYYJGYDHORPK-UHFFFAOYSA-N -1 3 351.410 3.209 20 0 FGADHM CC(C)c1nnc(NC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)s1 ZINC000484254459 502608790 /nfs/dbraw/zinc/60/87/90/502608790.db2.gz LGUCFYPJMLUCNU-UHFFFAOYSA-N -1 3 350.350 3.034 20 0 FGADHM CC(C)c1nnc([N-]C(=O)c2cnc3c(F)cc(F)cc3c2O)s1 ZINC000484254459 502608795 /nfs/dbraw/zinc/60/87/95/502608795.db2.gz LGUCFYPJMLUCNU-UHFFFAOYSA-N -1 3 350.350 3.034 20 0 FGADHM CC(C)c1nnc(NC(=O)c2cnc3c(F)cc(F)cc3c2[O-])s1 ZINC000484254459 502608802 /nfs/dbraw/zinc/60/88/02/502608802.db2.gz LGUCFYPJMLUCNU-UHFFFAOYSA-N -1 3 350.350 3.034 20 0 FGADHM C[C@@]1(C[N-]S(=O)(=O)c2cccc(Cl)c2Cl)CCO[C@@H]1C1CC1 ZINC000466586235 502617195 /nfs/dbraw/zinc/61/71/95/502617195.db2.gz NCYFSUOPBUCOGW-CABCVRRESA-N -1 3 364.294 3.477 20 0 FGADHM COCCC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000480631570 502628687 /nfs/dbraw/zinc/62/86/87/502628687.db2.gz PLLCLCZXTDUGKJ-OAHLLOKOSA-N -1 3 369.433 3.281 20 0 FGADHM O=C(NCc1ncccc1[O-])c1cc(-c2ccco2)nn1-c1ccccc1 ZINC000473645619 502665752 /nfs/dbraw/zinc/66/57/52/502665752.db2.gz VTGOSZCNMNPVMP-UHFFFAOYSA-N -1 3 360.373 3.163 20 0 FGADHM CC(C)n1cc2c(n1)C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1Cl)CC2 ZINC000480822188 502679847 /nfs/dbraw/zinc/67/98/47/502679847.db2.gz HHNLCQMFSWTGJE-CYBMUJFWSA-N -1 3 371.865 3.092 20 0 FGADHM O=C(CCCc1ccc([O-])c(F)c1)NCc1noc(-c2ccccc2F)n1 ZINC000477125699 502685289 /nfs/dbraw/zinc/68/52/89/502685289.db2.gz HJGFLQQLDQPVSN-UHFFFAOYSA-N -1 3 373.359 3.360 20 0 FGADHM O=S(=O)([N-]Cc1ccc(C2CC2)cc1)c1cncc(Br)c1 ZINC000480854332 502689858 /nfs/dbraw/zinc/68/98/58/502689858.db2.gz DZODVKKBNIUSID-UHFFFAOYSA-N -1 3 367.268 3.200 20 0 FGADHM O=S(=O)([N-]CCc1c[nH]c2cc(Cl)cc(Cl)c12)c1ccccn1 ZINC000480873375 502695581 /nfs/dbraw/zinc/69/55/81/502695581.db2.gz PBIFCNKQQQPSHZ-UHFFFAOYSA-N -1 3 370.261 3.391 20 0 FGADHM CO[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000473749738 502696224 /nfs/dbraw/zinc/69/62/24/502696224.db2.gz ZIGSGKKPRQAENZ-RBUKOAKNSA-N -1 3 353.418 3.311 20 0 FGADHM CCOCCCn1c([C@H]2CCO[C@@H]2C(C)(C)C)n[n-]c1=NC(C)(C)C ZINC000463111585 502697685 /nfs/dbraw/zinc/69/76/85/502697685.db2.gz ZGXWUNAECVBBSN-GJZGRUSLSA-N -1 3 352.523 3.256 20 0 FGADHM CCOC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2c(C)cccc2F)c1 ZINC000473761578 502699691 /nfs/dbraw/zinc/69/96/91/502699691.db2.gz JBQOOIZDXCKAES-UHFFFAOYSA-N -1 3 351.399 3.420 20 0 FGADHM O=C([N-]c1nnc(-c2ccccc2Cl)s1)c1cnn2ncccc12 ZINC000463131188 502703096 /nfs/dbraw/zinc/70/30/96/502703096.db2.gz JZFRSIJNISZOOG-UHFFFAOYSA-N -1 3 356.798 3.154 20 0 FGADHM Cc1cc(=O)c(C(=O)Nc2n[n-]c(-c3cc(Cl)ccc3Cl)n2)c[nH]1 ZINC000463163848 502710175 /nfs/dbraw/zinc/71/01/75/502710175.db2.gz UBIKDWLKMUEFSK-UHFFFAOYSA-N -1 3 364.192 3.028 20 0 FGADHM O=C([N-]c1nc(-c2ccccc2)no1)c1cc(Cl)c2c(c1)OCCCO2 ZINC000588760499 506329551 /nfs/dbraw/zinc/32/95/51/506329551.db2.gz SBHBHSJHMAGRED-UHFFFAOYSA-N -1 3 371.780 3.226 20 0 FGADHM Cc1noc2nc(C3CC3)cc(C(=O)[N-]c3nc(-c4ccccc4)no3)c12 ZINC000588758628 506329568 /nfs/dbraw/zinc/32/95/68/506329568.db2.gz DHEWZFCKYMGNSS-UHFFFAOYSA-N -1 3 361.361 3.133 20 0 FGADHM COC(=O)c1csc(S(=O)(=O)[N-][C@@H]2CCCc3ccc(F)cc32)c1 ZINC000480948830 502711734 /nfs/dbraw/zinc/71/17/34/502711734.db2.gz BXIZJQJVPOCLIW-CQSZACIVSA-N -1 3 369.439 3.030 20 0 FGADHM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc(-c2nc[nH]n2)cc1F ZINC000470250785 502716699 /nfs/dbraw/zinc/71/66/99/502716699.db2.gz QKFJWAKSGGFNAW-UHFFFAOYSA-N -1 3 366.805 3.373 20 0 FGADHM O=S(=O)([N-]c1ccc(Oc2ccccn2)cc1)c1ccc2c(c1)OCO2 ZINC000477257282 502721034 /nfs/dbraw/zinc/72/10/34/502721034.db2.gz ZQGRYUUYVRFWIA-UHFFFAOYSA-N -1 3 370.386 3.403 20 0 FGADHM O=C(CCc1cccc(C(F)(F)F)c1)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000473850069 502723761 /nfs/dbraw/zinc/72/37/61/502723761.db2.gz MNJBVHMYCSZYLI-CQSZACIVSA-N -1 3 353.344 3.273 20 0 FGADHM O=C(CCC(=O)c1csc2ccccc12)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000473851853 502725037 /nfs/dbraw/zinc/72/50/37/502725037.db2.gz CQTUJFBLXFDGAW-MRXNPFEDSA-N -1 3 369.446 3.499 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)Cc3ccc4c[nH]nc4c3)c2)n1 ZINC000477276029 502727120 /nfs/dbraw/zinc/72/71/20/502727120.db2.gz ABHWLTQEJUZGLA-UHFFFAOYSA-N -1 3 373.416 3.469 20 0 FGADHM O=C(CCSc1ccccc1Cl)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000473855634 502727862 /nfs/dbraw/zinc/72/78/62/502727862.db2.gz JBPZDSMFLZWGHF-ZDUSSCGKSA-N -1 3 351.859 3.457 20 0 FGADHM COc1ccc(NC(=O)Cc2ccc(Br)cc2[O-])cc1OC ZINC000477288776 502730672 /nfs/dbraw/zinc/73/06/72/502730672.db2.gz CLPMYVWLJFNIMV-UHFFFAOYSA-N -1 3 366.211 3.353 20 0 FGADHM O=S(=O)([N-]C1CCN(C2CCCC2)CC1)c1cccc(Cl)c1F ZINC000484774389 502737707 /nfs/dbraw/zinc/73/77/07/502737707.db2.gz FHUVJQHLOYJIBR-UHFFFAOYSA-N -1 3 360.882 3.164 20 0 FGADHM 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ZINC000512996021 502828602 /nfs/dbraw/zinc/82/86/02/502828602.db2.gz JGWUHHODUGTTDL-ZDUSSCGKSA-N -1 3 360.841 3.337 20 0 FGADHM C[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000500622845 502829085 /nfs/dbraw/zinc/82/90/85/502829085.db2.gz FBJVVWLBTCZIRK-JOYOIKCWSA-N -1 3 350.253 3.445 20 0 FGADHM CCc1nc(C2([N-]S(=O)(=O)c3cccc(SC)c3)CCCC2)no1 ZINC000509161111 502836965 /nfs/dbraw/zinc/83/69/65/502836965.db2.gz JDAAHGSBSYILOW-UHFFFAOYSA-N -1 3 367.496 3.102 20 0 FGADHM COC(=O)CCCCCNC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000505029506 502841496 /nfs/dbraw/zinc/84/14/96/502841496.db2.gz ODTUJHFNRWCUIU-UHFFFAOYSA-N -1 3 372.425 3.013 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-][C@H](CCc2ccccc2)C(F)(F)F)cn1 ZINC000509219082 502851833 /nfs/dbraw/zinc/85/18/33/502851833.db2.gz RDCVEUZFZXFZBM-OAHLLOKOSA-N -1 3 358.385 3.232 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(CN(C)C)c2)cc1F ZINC000500782537 502862552 /nfs/dbraw/zinc/86/25/52/502862552.db2.gz VIQKLYQSWVLMGC-UHFFFAOYSA-N -1 3 372.849 3.350 20 0 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CCc1ccc(NC(=O)[C@@H](C)[N-]S(=O)(=O)c2cccs2)cc1CC ZINC000538273113 504183466 /nfs/dbraw/zinc/18/34/66/504183466.db2.gz CEXWFDAXCCMMPD-GFCCVEGCSA-N -1 3 366.508 3.178 20 0 FGADHM C[C@@H]1C[C@H]1c1ccc(C[N-]S(=O)(=O)c2cnc(-c3ccccc3)nc2)o1 ZINC000547715959 504198064 /nfs/dbraw/zinc/19/80/64/504198064.db2.gz HOKNDIMNWOZFMM-CXAGYDPISA-N -1 3 369.446 3.339 20 0 FGADHM C[C@@H]1C[C@@H]1c1ccc(C[N-]S(=O)(=O)c2cncc(Br)c2)o1 ZINC000519411412 504215878 /nfs/dbraw/zinc/21/58/78/504215878.db2.gz ZIBOSDSXKWQDSV-RNCFNFMXSA-N -1 3 371.256 3.039 20 0 FGADHM COc1cc(=NC(=O)c2cnn(-c3cccc(Cl)c3)c2C(C)C)[n-]n1C ZINC000547815909 504234808 /nfs/dbraw/zinc/23/48/08/504234808.db2.gz YSCMWNSFRRUQKJ-UHFFFAOYSA-N -1 3 373.844 3.065 20 0 FGADHM CCCCCS(=O)(=O)[N-][C@@H](C)c1nc(-c2ccc(CC)cc2)no1 ZINC000544721945 504235093 /nfs/dbraw/zinc/23/50/93/504235093.db2.gz BBQLJFAWSDXHQV-ZDUSSCGKSA-N -1 3 351.472 3.470 20 0 FGADHM CCOc1ccc(S(=O)(=O)[N-][C@@](C)(CC)C(F)(F)F)cc1OCC ZINC000547819262 504235671 /nfs/dbraw/zinc/23/56/71/504235671.db2.gz OGBGQBTUJOHJCJ-AWEZNQCLSA-N -1 3 369.405 3.493 20 0 FGADHM COc1cc(=NC(=O)N[C@H](Cc2ccccc2)c2ccccc2F)[n-]n1C ZINC000547840071 504244889 /nfs/dbraw/zinc/24/48/89/504244889.db2.gz IVVWNLXTUMIYDQ-QGZVFWFLSA-N -1 3 368.412 3.095 20 0 FGADHM Cc1noc(CCC(=O)N=c2cc(-c3cc(Cl)cc(Cl)c3)[n-][nH]2)n1 ZINC000531275463 504249166 /nfs/dbraw/zinc/24/91/66/504249166.db2.gz CYHNBTWZYAUGOA-UHFFFAOYSA-N -1 3 366.208 3.068 20 0 FGADHM Cc1noc(C)c1S(=O)(=O)[N-]C1(c2ccc(F)cc2F)CCCC1 ZINC000534820272 504251130 /nfs/dbraw/zinc/25/11/30/504251130.db2.gz GHQIDHGMAIHEIZ-UHFFFAOYSA-N -1 3 356.394 3.317 20 0 FGADHM CCOC(=O)c1ccc(NC(=O)[C@H](c2ccccc2)N(C)CC)c([O-])c1 ZINC000534828461 504253707 /nfs/dbraw/zinc/25/37/07/504253707.db2.gz XLPUXZMDFZGZST-SFHVURJKSA-N -1 3 356.422 3.200 20 0 FGADHM C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[N-]S(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000528544909 504266998 /nfs/dbraw/zinc/26/69/98/504266998.db2.gz BOGRWFDGAGUPAA-RZGXBDKHSA-N -1 3 352.283 3.225 20 0 FGADHM COc1ccc(CN[C@@H]2C[C@](C)(OC)C2(C)C)c(Br)c1[O-] ZINC000544839609 504275842 /nfs/dbraw/zinc/27/58/42/504275842.db2.gz BHKKOMOIKILEHT-WBMJQRKESA-N -1 3 358.276 3.457 20 0 FGADHM C[C@@H]1CCN(c2nc3[nH][n-]cc-3c(=N)n2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000544847218 504278678 /nfs/dbraw/zinc/27/86/78/504278678.db2.gz XYKSBFFOIUEAAX-RNCFNFMXSA-N -1 3 362.359 3.323 20 0 FGADHM CN(C)CC1([N-]S(=O)(=O)c2cc3cc(Cl)ccc3s2)CCC1 ZINC000544864000 504284330 /nfs/dbraw/zinc/28/43/30/504284330.db2.gz MBBNVKSHLIAIIO-UHFFFAOYSA-N -1 3 358.916 3.317 20 0 FGADHM Cc1c(Br)cccc1S(=O)(=O)[N-]c1c(F)cccc1CO ZINC000534972311 504298189 /nfs/dbraw/zinc/29/81/89/504298189.db2.gz MVOBRILJRFILNV-UHFFFAOYSA-N -1 3 374.231 3.190 20 0 FGADHM CCc1cccnc1-c1noc([C@@H](C)[N-]S(=O)(=O)c2ccc(C)cc2)n1 ZINC000544932302 504304116 /nfs/dbraw/zinc/30/41/16/504304116.db2.gz DPVQAFBAOSNQTC-CYBMUJFWSA-N -1 3 372.450 3.042 20 0 FGADHM COc1ccc(CN(C)C)cc1[N-]S(=O)(=O)c1cc(F)ccc1C ZINC000548041245 504307690 /nfs/dbraw/zinc/30/76/90/504307690.db2.gz WZDYFLGKENBBSZ-UHFFFAOYSA-N -1 3 352.431 3.005 20 0 FGADHM CCc1cc(=O)[n-]c(CN2CCC[C@@H](c3nnc(C4CCCCC4)[nH]3)C2)n1 ZINC000538663562 504318866 /nfs/dbraw/zinc/31/88/66/504318866.db2.gz ACWGDESZRNTULU-OAHLLOKOSA-N -1 3 370.501 3.290 20 0 FGADHM CC1(C)[C@H](NC(=O)c2cc([O-])cc(Br)c2)[C@H]2CCCO[C@H]21 ZINC000528664818 504320550 /nfs/dbraw/zinc/32/05/50/504320550.db2.gz XQBQNHAUCLEJFT-MGPQQGTHSA-N -1 3 354.244 3.088 20 0 FGADHM Cc1cnc([C@H]([N-]S(=O)(=O)c2ccc3ncsc3c2)C2CC2)s1 ZINC000548122370 504338126 /nfs/dbraw/zinc/33/81/26/504338126.db2.gz PFRKTEWVSROXDN-CQSZACIVSA-N -1 3 365.505 3.491 20 0 FGADHM NC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)c1 ZINC000535138856 504353525 /nfs/dbraw/zinc/35/35/25/504353525.db2.gz QWGNLIVFQSFQHA-UHFFFAOYSA-N -1 3 363.197 3.032 20 0 FGADHM O=S(=O)([N-][C@@H](CCCO)c1ccccc1)c1cc(F)cc(Cl)c1 ZINC000535141627 504354401 /nfs/dbraw/zinc/35/44/01/504354401.db2.gz IYAGDJFJASOHEC-INIZCTEOSA-N -1 3 357.834 3.271 20 0 FGADHM CCc1cccc(C(=O)N(CC)CC(=O)Nc2c(F)cccc2F)c1[O-] ZINC000538745982 504355411 /nfs/dbraw/zinc/35/54/11/504355411.db2.gz OHUCURSCJSYFHO-UHFFFAOYSA-N -1 3 362.376 3.334 20 0 FGADHM CCOc1cc(C(=O)NC[C@H](C)N2CCCC[C@@H]2C)cc(Cl)c1[O-] ZINC000545168939 504383810 /nfs/dbraw/zinc/38/38/10/504383810.db2.gz UAMAYIOBDZJMSW-STQMWFEESA-N -1 3 354.878 3.437 20 0 FGADHM COc1ccccc1-c1csc([N-]C(=O)c2nnc3ccccc3n2)n1 ZINC000538834429 504386855 /nfs/dbraw/zinc/38/68/55/504386855.db2.gz TXUKUDRCUPBGFE-UHFFFAOYSA-N -1 3 363.402 3.409 20 0 FGADHM CC(C)COc1ncc(C(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1Cl ZINC000542162321 504387214 /nfs/dbraw/zinc/38/72/14/504387214.db2.gz CNRUALNCOFRDIW-UHFFFAOYSA-N -1 3 372.816 3.202 20 0 FGADHM CC(C)COc1ncc(C(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1Cl ZINC000542162321 504387219 /nfs/dbraw/zinc/38/72/19/504387219.db2.gz CNRUALNCOFRDIW-UHFFFAOYSA-N -1 3 372.816 3.202 20 0 FGADHM COCCN(Cc1ccc(C)o1)C(=O)c1cc([O-])cc(Br)c1 ZINC000528831136 504403447 /nfs/dbraw/zinc/40/34/47/504403447.db2.gz SBZNYNPQMCEJIX-UHFFFAOYSA-N -1 3 368.227 3.345 20 0 FGADHM Cc1nc(C)c(CC(=O)NC2(Cc3ccccc3)CCCCC2)c(=O)[n-]1 ZINC000545245759 504414076 /nfs/dbraw/zinc/41/40/76/504414076.db2.gz VMYGTYQYCOWGBZ-UHFFFAOYSA-N -1 3 353.466 3.403 20 0 FGADHM CCN=c1[n-]c(C(=O)N[C@@H]2C[C@H]2c2cccc(Br)c2)cs1 ZINC000531766326 504417895 /nfs/dbraw/zinc/41/78/95/504417895.db2.gz QQOHGFDMFKIUED-NWDGAFQWSA-N -1 3 366.284 3.045 20 0 FGADHM Cn1nc([C@@H]2CCCOC2)cc1NC(=O)c1c[n-]nc1-c1ccc(F)cc1 ZINC000548397363 504429838 /nfs/dbraw/zinc/42/98/38/504429838.db2.gz ISXVRUJVKUBFEM-CYBMUJFWSA-N -1 3 369.400 3.096 20 0 FGADHM C[C@@H]1[C@H](NC(=O)c2cc([O-])c3ccccc3c2)CC(=O)N1Cc1ccccc1 ZINC000545287070 504430317 /nfs/dbraw/zinc/43/03/17/504430317.db2.gz ULYNWBSFBHKZBT-FOIQADDNSA-N -1 3 374.440 3.465 20 0 FGADHM COc1cc(C)ccc1CNC(=O)Cc1ccc(Br)cc1[O-] ZINC000548405023 504433423 /nfs/dbraw/zinc/43/34/23/504433423.db2.gz DARDUHQCNLUUTA-UHFFFAOYSA-N -1 3 364.239 3.331 20 0 FGADHM CCOc1nc2ccc(C(=O)Nc3ccccc3O[C@H]3CCOC3)cc2[n-]1 ZINC000548415140 504436624 /nfs/dbraw/zinc/43/66/24/504436624.db2.gz XKBHTJXAAOPMTF-AWEZNQCLSA-N -1 3 367.405 3.382 20 0 FGADHM CCOc1nc2cc(C(=O)Nc3ccccc3O[C@H]3CCOC3)ccc2[n-]1 ZINC000548415140 504436628 /nfs/dbraw/zinc/43/66/28/504436628.db2.gz XKBHTJXAAOPMTF-AWEZNQCLSA-N -1 3 367.405 3.382 20 0 FGADHM Cc1cc(Cl)cc(NC(=O)c2ccc(C(=O)N3CCOCC3)cc2)c1[O-] ZINC000528905010 504444128 /nfs/dbraw/zinc/44/41/28/504444128.db2.gz IYBJRKZSFKBCDV-UHFFFAOYSA-N -1 3 374.824 3.079 20 0 FGADHM O=C(NC[C@H](CO)Cc1ccco1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000531873948 504454626 /nfs/dbraw/zinc/45/46/26/504454626.db2.gz XHCAEEPZDLBRFO-OAHLLOKOSA-N -1 3 367.401 3.359 20 0 FGADHM CC(C)(C)[C@@H]1C[C@@H](NC(=O)c2cc([O-])cc(Br)c2)CCO1 ZINC000528935303 504458519 /nfs/dbraw/zinc/45/85/19/504458519.db2.gz WQJIQIQGHSVOMT-JSGCOSHPSA-N -1 3 356.260 3.478 20 0 FGADHM Cc1ncc(CNC(=O)Nc2ccccc2N2CCCCCC2)c(=O)[n-]1 ZINC000542361005 504461915 /nfs/dbraw/zinc/46/19/15/504461915.db2.gz UCCBNGGAAXKKSD-UHFFFAOYSA-N -1 3 355.442 3.193 20 0 FGADHM COc1ccccc1Oc1ccc(CNC(=O)c2cc(C)nc(=O)[n-]2)cc1 ZINC000531900404 504464223 /nfs/dbraw/zinc/46/42/23/504464223.db2.gz YJZASOJQFPJBLR-UHFFFAOYSA-N -1 3 365.389 3.222 20 0 FGADHM COCc1nc(C(=O)[N-]c2nc(-c3cc(F)ccc3OC)cs2)co1 ZINC000548496623 504468100 /nfs/dbraw/zinc/46/81/00/504468100.db2.gz DIBQNRKXFBIERJ-UHFFFAOYSA-N -1 3 363.370 3.345 20 0 FGADHM CC(C)c1cc(C(=O)NC[C@H]2CCCCS2(=O)=O)c([O-])c(C(C)C)c1 ZINC000542382048 504468415 /nfs/dbraw/zinc/46/84/15/504468415.db2.gz WWKDVIBWKYNQRH-OAHLLOKOSA-N -1 3 367.511 3.336 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC=C(c4ccncc4)C3)nc2)n1 ZINC000520441922 504500541 /nfs/dbraw/zinc/50/05/41/504500541.db2.gz CROAKGPDYXVVPR-UHFFFAOYSA-N -1 3 359.433 3.495 20 0 FGADHM CN(C(=O)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O)c1nccs1 ZINC000542504632 504516558 /nfs/dbraw/zinc/51/65/58/504516558.db2.gz PSCGYQOZNZHWAR-UHFFFAOYSA-N -1 3 369.324 3.160 20 0 FGADHM CN(C(=O)c1cnc2c(OC(F)(F)F)cccc2c1[O-])c1nccs1 ZINC000542504632 504516565 /nfs/dbraw/zinc/51/65/65/504516565.db2.gz PSCGYQOZNZHWAR-UHFFFAOYSA-N -1 3 369.324 3.160 20 0 FGADHM C[C@@H](CC1CCCC1)c1nc(-c2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)no1 ZINC000545526928 504516520 /nfs/dbraw/zinc/51/65/20/504516520.db2.gz GZKCSKRDTPHKKZ-YUNKPMOVSA-N -1 3 368.437 3.475 20 0 FGADHM C[C@H](c1ccsc1)c1nc(-c2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)no1 ZINC000545527113 504517218 /nfs/dbraw/zinc/51/72/18/504517218.db2.gz GWLUMFXZIHTSIM-MGNBDDOMSA-N -1 3 368.418 3.005 20 0 FGADHM O=C(NC[C@@H](O)C1CCCCC1)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000548699054 504532712 /nfs/dbraw/zinc/53/27/12/504532712.db2.gz GZGHGZBMWIKVDV-HXUWFJFHSA-N -1 3 367.445 3.294 20 0 FGADHM Cc1c(C(=O)[O-])sc2nc(C)nc(N3CCN(C4CCCCC4)CC3)c12 ZINC000520588002 504536036 /nfs/dbraw/zinc/53/60/36/504536036.db2.gz ASGAYUJPUINYJV-UHFFFAOYSA-N -1 3 374.510 3.461 20 0 FGADHM CS(=O)(=O)[N-]c1ccc(-c2noc(-c3cc4c(cccc4F)[nH]3)n2)cc1 ZINC000545600239 504537413 /nfs/dbraw/zinc/53/74/13/504537413.db2.gz YRXCFTHDZDRIEU-UHFFFAOYSA-N -1 3 372.381 3.396 20 0 FGADHM CS(=O)(=O)[N-]c1ccc(-c2noc(-c3csc(C4CC4)n3)n2)cc1 ZINC000545598553 504537823 /nfs/dbraw/zinc/53/78/23/504537823.db2.gz NOUVQFDKBRLZCK-UHFFFAOYSA-N -1 3 362.436 3.109 20 0 FGADHM CS(=O)(=O)[N-]c1ccc(-c2noc(-c3cc(F)cc(F)c3)n2)cc1 ZINC000545629239 504547299 /nfs/dbraw/zinc/54/72/99/504547299.db2.gz ULDQYRTUODYSOY-UHFFFAOYSA-N -1 3 351.334 3.053 20 0 FGADHM CS(=O)(=O)[N-]c1ccc(-c2nc(-c3ccc4ncccc4c3)no2)cc1 ZINC000545635731 504549138 /nfs/dbraw/zinc/54/91/38/504549138.db2.gz XGYSYHZTJXDQKR-UHFFFAOYSA-N -1 3 366.402 3.323 20 0 FGADHM CC[C@@H](Cc1nc(-c2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)no1)C(C)C ZINC000545655691 504553971 /nfs/dbraw/zinc/55/39/71/504553971.db2.gz BPTTWBSFVQLDME-HXPMCKFVSA-N -1 3 356.426 3.016 20 0 FGADHM CCc1cccc(C(=O)N[C@H](CC(C)C)C(=O)Nc2nccs2)c1[O-] ZINC000535818807 504553942 /nfs/dbraw/zinc/55/39/42/504553942.db2.gz GQUBIMVTNGCWCO-CQSZACIVSA-N -1 3 361.467 3.194 20 0 FGADHM Cc1cc(C)cc(-c2nc(-c3cccc([C@@]4(C)NC(=O)[N-]C4=O)c3)no2)c1 ZINC000545654729 504554127 /nfs/dbraw/zinc/55/41/27/504554127.db2.gz KTNAWQIUAGYYCL-HXUWFJFHSA-N -1 3 362.389 3.075 20 0 FGADHM Cc1ncc(CNC(=O)Nc2ccc3c(c2)CCC2(CCC2)O3)c(=O)[n-]1 ZINC000529174734 504567302 /nfs/dbraw/zinc/56/73/02/504567302.db2.gz MNWKEFHPJGAWSA-UHFFFAOYSA-N -1 3 354.410 3.060 20 0 FGADHM CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)c1cc([O-])cc(Br)c1 ZINC000529184817 504572183 /nfs/dbraw/zinc/57/21/83/504572183.db2.gz AVIJONYKGZZPIQ-UHFFFAOYSA-N -1 3 366.259 3.448 20 0 FGADHM CCCc1ccc(-c2cc(=NC(=O)c3cn(C)nc3C(F)F)[nH][n-]2)cc1 ZINC000535889363 504572670 /nfs/dbraw/zinc/57/26/70/504572670.db2.gz LPTTWQWZAFTCDS-UHFFFAOYSA-N -1 3 359.380 3.375 20 0 FGADHM CCS[C@H]1CCC[C@@H]1NC(=O)c1c[n-]c2cc(F)c(OC)cc2c1=O ZINC000539489304 504587979 /nfs/dbraw/zinc/58/79/79/504587979.db2.gz UCGSZPFSMVKCAE-BBRMVZONSA-N -1 3 364.442 3.080 20 0 FGADHM C[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)C[C@H]1C ZINC000542738438 504591510 /nfs/dbraw/zinc/59/15/10/504591510.db2.gz GIYRNDOPHLBDRP-NQBHXWOUSA-N -1 3 370.902 3.328 20 0 FGADHM C[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)C[C@@H]1C ZINC000542738440 504591979 /nfs/dbraw/zinc/59/19/79/504591979.db2.gz GIYRNDOPHLBDRP-NTZNESFSSA-N -1 3 370.902 3.328 20 0 FGADHM CN1CCc2ccc(S(=O)(=O)[N-][C@@H](C3CCCC3)C(F)(F)F)cc21 ZINC000542754169 504596284 /nfs/dbraw/zinc/59/62/84/504596284.db2.gz VWDFHPCVHJPCJK-HNNXBMFYSA-N -1 3 362.417 3.078 20 0 FGADHM CC(=O)Nc1cc(S(=O)(=O)[N-][C@@H](C(C)(C)C)C(F)(F)F)ccc1C ZINC000542755130 504597312 /nfs/dbraw/zinc/59/73/12/504597312.db2.gz JCSZEJADRQEUTK-ZDUSSCGKSA-N -1 3 366.405 3.209 20 0 FGADHM Cc1ccc(-c2nc(-c3cccc([C@@]4(C)NC(=O)[N-]C4=O)c3)no2)c(C)c1 ZINC000545795300 504598425 /nfs/dbraw/zinc/59/84/25/504598425.db2.gz BHXNTIOBGPEDNX-HXUWFJFHSA-N -1 3 362.389 3.075 20 0 FGADHM COc1ccc([O-])c(C(=O)NCc2ccc(C)cc2OC[C@@H]2CCCO2)c1 ZINC000532335388 504615557 /nfs/dbraw/zinc/61/55/57/504615557.db2.gz HXLAMFSUNZDZQA-KRWDZBQOSA-N -1 3 371.433 3.197 20 0 FGADHM COc1cc(C(=O)Nc2ccc(-c3cncnc3)cc2)cc(OC)c1[O-] ZINC000545856634 504617297 /nfs/dbraw/zinc/61/72/97/504617297.db2.gz FOTMHMVNEMPOAI-UHFFFAOYSA-N -1 3 351.362 3.119 20 0 FGADHM COCc1cccc2sc(NC(=O)c3n[n-]nc3-c3ccccc3)nc21 ZINC000548941823 504630150 /nfs/dbraw/zinc/63/01/50/504630150.db2.gz KAVKHNHNBJKVGK-UHFFFAOYSA-N -1 3 365.418 3.480 20 0 FGADHM CC(C)Cn1cnc(S(=O)(=O)[N-]Cc2cccc(-c3cccnc3)c2)c1 ZINC000545919233 504637759 /nfs/dbraw/zinc/63/77/59/504637759.db2.gz CTTXEOWDOFWXQP-UHFFFAOYSA-N -1 3 370.478 3.080 20 0 FGADHM CCc1oc(C(=O)[N-]c2csc(-c3ccncc3)n2)cc1C(=O)OC ZINC000549006867 504652956 /nfs/dbraw/zinc/65/29/56/504652956.db2.gz PUQZSZISFPLRRI-UHFFFAOYSA-N -1 3 357.391 3.399 20 0 FGADHM C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1C(=O)Nc1nnc(-c2ccc3ccccc3n2)[n-]1 ZINC000529414183 504663999 /nfs/dbraw/zinc/66/39/99/504663999.db2.gz UEHASQDCDQODAY-OVZMXSCWSA-N -1 3 351.410 3.018 20 0 FGADHM C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1C(=O)Nc1nc(-c2ccc3ccccc3n2)n[n-]1 ZINC000529414183 504664003 /nfs/dbraw/zinc/66/40/03/504664003.db2.gz UEHASQDCDQODAY-OVZMXSCWSA-N -1 3 351.410 3.018 20 0 FGADHM C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1C(=O)Nc1n[n-]c(-c2ccc3ccccc3n2)n1 ZINC000529414183 504664009 /nfs/dbraw/zinc/66/40/09/504664009.db2.gz UEHASQDCDQODAY-OVZMXSCWSA-N -1 3 351.410 3.018 20 0 FGADHM CC(C)[C@H](NC(=O)c1cc([O-])cc(Br)c1)C1(CO)CCC1 ZINC000529415974 504664468 /nfs/dbraw/zinc/66/44/68/504664468.db2.gz FUCVWDCNRINMEL-AWEZNQCLSA-N -1 3 356.260 3.072 20 0 FGADHM CC(C)[C@@H](NC(=O)c1cc([O-])cc(Br)c1)[C@@H](CO)C(C)C ZINC000529456217 504682265 /nfs/dbraw/zinc/68/22/65/504682265.db2.gz XLVIGWBOBIUWHM-LSDHHAIUSA-N -1 3 358.276 3.174 20 0 FGADHM O=C(Nc1ccc(Br)cc1[O-])c1ccc(-c2nc[nH]n2)cc1 ZINC000546035756 504682677 /nfs/dbraw/zinc/68/26/77/504682677.db2.gz MGJOYTWRZTWJOR-UHFFFAOYSA-N -1 3 359.183 3.192 20 0 FGADHM CC(C)(CO)[C@@H]([N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)C1CC1 ZINC000521319177 504708710 /nfs/dbraw/zinc/70/87/10/504708710.db2.gz HODLNOXHZURSJF-ZDUSSCGKSA-N -1 3 352.283 3.069 20 0 FGADHM Cc1cc(Br)c(S(=O)(=O)[N-]c2cc(C)ncc2C)s1 ZINC000532619037 504712239 /nfs/dbraw/zinc/71/22/39/504712239.db2.gz MDFFKOXDALCLFD-UHFFFAOYSA-N -1 3 361.286 3.054 20 0 FGADHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC000539843364 504715779 /nfs/dbraw/zinc/71/57/79/504715779.db2.gz YMGIKIMRTOKCJK-AWEZNQCLSA-N -1 3 373.497 3.229 20 0 FGADHM O=S(=O)([N-]CCSCC(F)(F)F)c1cc(F)cc(Cl)c1 ZINC000539861149 504720554 /nfs/dbraw/zinc/72/05/54/504720554.db2.gz ZDHYEUGTVWNIOA-UHFFFAOYSA-N -1 3 351.774 3.053 20 0 FGADHM Cc1ccc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)c2n[nH]cc21 ZINC000532663590 504728998 /nfs/dbraw/zinc/72/89/98/504728998.db2.gz MCZLUCICEOORQJ-UHFFFAOYSA-N -1 3 350.353 3.413 20 0 FGADHM CC[C@@H](C)n1ncc(NC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)c1C1CC1 ZINC000536500726 504749129 /nfs/dbraw/zinc/74/91/29/504749129.db2.gz BCHWESPIUJHMKE-SNVBAGLBSA-N -1 3 367.409 3.259 20 0 FGADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H](CO)C1CCCCC1 ZINC000532773991 504755849 /nfs/dbraw/zinc/75/58/49/504755849.db2.gz FWTAONWKTRLFPR-OAHLLOKOSA-N -1 3 355.431 3.100 20 0 FGADHM COc1ccc(OCCS(=O)(=O)[N-]c2cncc3ccccc32)cc1 ZINC000540041877 504764108 /nfs/dbraw/zinc/76/41/08/504764108.db2.gz UZGWLONGXOWRDR-UHFFFAOYSA-N -1 3 358.419 3.064 20 0 FGADHM Cc1ncc(S(=O)(=O)[N-][C@@H](C)c2ccc(OCC3CC3)c(F)c2)s1 ZINC000532853131 504767445 /nfs/dbraw/zinc/76/74/45/504767445.db2.gz HZTVLFYOAMBUTN-JTQLQIEISA-N -1 3 370.471 3.419 20 0 FGADHM Cc1ncc(S(=O)(=O)[N-][C@H]2C[C@H]2c2ccccc2C(F)(F)F)s1 ZINC000532854065 504767525 /nfs/dbraw/zinc/76/75/25/504767525.db2.gz FQRVGEYNRUGCIS-JQWIXIFHSA-N -1 3 362.398 3.305 20 0 FGADHM CCOC(=O)c1ccc(NC(=O)c2cc3c([nH]c2=O)CCCCC3)c([O-])c1 ZINC000536620394 504770626 /nfs/dbraw/zinc/77/06/26/504770626.db2.gz BGVUHILEZBTGIN-UHFFFAOYSA-N -1 3 370.405 3.191 20 0 FGADHM CCOC(=O)c1ccc(NC(=O)c2cc(=O)[nH]c3ccc(F)cc32)c([O-])c1 ZINC000536622632 504770886 /nfs/dbraw/zinc/77/08/86/504770886.db2.gz LSXPSJBDANWFIZ-UHFFFAOYSA-N -1 3 370.336 3.214 20 0 FGADHM CCn1c2ccccc2nc1[C@@H]1CCCN1C(=O)N=c1cc2ccccn2[n-]1 ZINC000562295216 504775614 /nfs/dbraw/zinc/77/56/14/504775614.db2.gz WNXIRDQNIDXUDM-SFHVURJKSA-N -1 3 374.448 3.495 20 0 FGADHM O=C(N=c1cc2ccccn2[n-]1)N1CCC(Cc2ccccc2F)CC1 ZINC000562295349 504775873 /nfs/dbraw/zinc/77/58/73/504775873.db2.gz FTKNDTASXCMXNO-UHFFFAOYSA-N -1 3 352.413 3.382 20 0 FGADHM COc1ccc(CNC(=O)N=c2cc3ccccn3[n-]2)c(C(F)(F)F)c1 ZINC000562296620 504776770 /nfs/dbraw/zinc/77/67/70/504776770.db2.gz SSPIJQLXYRLYAK-UHFFFAOYSA-N -1 3 364.327 3.105 20 0 FGADHM O=C([O-])c1cnc2ccccc2c1N1CC[C@@H](n2cnc3c2CCCC3)C1 ZINC000565041002 504778976 /nfs/dbraw/zinc/77/89/76/504778976.db2.gz JYOKEGJABWTQGC-CQSZACIVSA-N -1 3 362.433 3.460 20 0 FGADHM C[C@@H](C(=O)Nc1cccc2ccccc21)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000556086126 504793411 /nfs/dbraw/zinc/79/34/11/504793411.db2.gz ABGXDKAGHVFJIE-ZFWWWQNUSA-N -1 3 366.421 3.135 20 0 FGADHM COc1cc(OC)cc([C@H](C(=O)[O-])N(C)Cc2ccc(F)c(F)c2)c1 ZINC000565101666 504794196 /nfs/dbraw/zinc/79/41/96/504794196.db2.gz SBKUVESWPPSJKC-QGZVFWFLSA-N -1 3 351.349 3.240 20 0 FGADHM COCCOC[C@@H]1CCN([C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)C1 ZINC000565105138 504794948 /nfs/dbraw/zinc/79/49/48/504794948.db2.gz NZVBOGDLTCJMIU-ABAIWWIYSA-N -1 3 362.253 3.104 20 0 FGADHM CCc1cc(C(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)c2c(C(C)C)noc2n1 ZINC000549371885 504803398 /nfs/dbraw/zinc/80/33/98/504803398.db2.gz NSHJHSQGCRMJPO-CQSZACIVSA-N -1 3 369.425 3.157 20 0 FGADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N[C@@H]1[C@@H]2CCC[C@@H]21 ZINC000559231171 504804621 /nfs/dbraw/zinc/80/46/21/504804621.db2.gz KCVHKEKVAQFQBD-RCLSDMTESA-N -1 3 364.445 3.168 20 0 FGADHM Cc1nc([C@](C)([N-]S(=O)(=O)c2cccc3ccccc32)C2CC2)no1 ZINC000562411440 504811554 /nfs/dbraw/zinc/81/15/54/504811554.db2.gz HVBKLHREEXDWJE-GOSISDBHSA-N -1 3 357.435 3.135 20 0 FGADHM Cc1cc(=O)[n-]c([C@@H](C)Sc2nnc3ccc(Br)cn32)n1 ZINC000549408829 504813999 /nfs/dbraw/zinc/81/39/99/504813999.db2.gz NBQQAVHPNCAHLT-MRVPVSSYSA-N -1 3 366.244 3.149 20 0 FGADHM Cc1nc(C)c(S(=O)(=O)[N-][C@H]2C[C@H](c3cc(F)cc(F)c3)C2)s1 ZINC000562434828 504820131 /nfs/dbraw/zinc/82/01/31/504820131.db2.gz SSAADSMIOURVHH-YEORSEQZSA-N -1 3 358.435 3.263 20 0 FGADHM CCn1c2ccccc2nc1[C@H]1CCCN1C(=O)Cc1cncc([O-])c1 ZINC000553085007 504823433 /nfs/dbraw/zinc/82/34/33/504823433.db2.gz JNEQRSBDVMVAID-GOSISDBHSA-N -1 3 350.422 3.063 20 0 FGADHM CCc1noc(C)c1C[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000549464482 504829462 /nfs/dbraw/zinc/82/94/62/504829462.db2.gz DOKQAYAYNDBCCS-UHFFFAOYSA-N -1 3 367.229 3.470 20 0 FGADHM CCOC(=O)c1[n-]c(C)nc1NC(=O)[C@H](CC)O[C@@H]1CCC[C@H](C)C1 ZINC000562467497 504829955 /nfs/dbraw/zinc/82/99/55/504829955.db2.gz FWFARZXXIRUAGF-YUTCNCBUSA-N -1 3 351.447 3.207 20 0 FGADHM CCOC(=O)c1nc(C)[n-]c1NC(=O)[C@H](CC)O[C@@H]1CCC[C@H](C)C1 ZINC000562467497 504829958 /nfs/dbraw/zinc/82/99/58/504829958.db2.gz FWFARZXXIRUAGF-YUTCNCBUSA-N -1 3 351.447 3.207 20 0 FGADHM COc1ccc(CN(C)C2(C(=O)[O-])CCCC2)c(Br)c1OC ZINC000565252334 504835470 /nfs/dbraw/zinc/83/54/70/504835470.db2.gz AUCGLQGMKIVNGU-UHFFFAOYSA-N -1 3 372.259 3.296 20 0 FGADHM Cc1cc(C)c(-c2cc(=NC(=O)[C@H]3CCC(=O)c4cccn43)[nH][n-]2)cc1C ZINC000562507363 504840367 /nfs/dbraw/zinc/84/03/67/504840367.db2.gz APRGRMSKZAJSHY-GOSISDBHSA-N -1 3 362.433 3.382 20 0 FGADHM COc1ccc(CN(C)C)cc1[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000556303051 504840532 /nfs/dbraw/zinc/84/05/32/504840532.db2.gz AAKVRIDJPUHEIO-UHFFFAOYSA-N -1 3 372.849 3.350 20 0 FGADHM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(O[C@@H]3CC(=O)N3)cc2)cc1 ZINC000565286371 504843226 /nfs/dbraw/zinc/84/32/26/504843226.db2.gz OLSZDQMRERQCLL-GOSISDBHSA-N -1 3 374.462 3.010 20 0 FGADHM CCC[C@@](C)(NCc1csc(COc2ccc(OC)cc2)n1)C(=O)[O-] ZINC000556323328 504844604 /nfs/dbraw/zinc/84/46/04/504844604.db2.gz DFIBVKYQTWUCAD-GOSISDBHSA-N -1 3 364.467 3.464 20 0 FGADHM CC(C)c1ccccc1S(=O)(=O)[N-]c1ccc2c(c1F)CCNC2=O ZINC000556351216 504852653 /nfs/dbraw/zinc/85/26/53/504852653.db2.gz ITWFFGGTIIZPTG-UHFFFAOYSA-N -1 3 362.426 3.036 20 0 FGADHM Cc1cccnc1[C@@H]([N-]S(=O)(=O)Cc1cc(C(C)(C)C)on1)C(C)C ZINC000556363010 504854780 /nfs/dbraw/zinc/85/47/80/504854780.db2.gz BTSLWIKPYDMLER-INIZCTEOSA-N -1 3 365.499 3.492 20 0 FGADHM CSCCC[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000556367458 504855695 /nfs/dbraw/zinc/85/56/95/504855695.db2.gz KHAVZSQGDKUYNV-UHFFFAOYSA-N -1 3 358.710 3.134 20 0 FGADHM COc1ccc(C[C@H](C)CN(C)C(=O)c2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC000565372613 504868015 /nfs/dbraw/zinc/86/80/15/504868015.db2.gz LWXBAHSVOKFFAZ-ZDUSSCGKSA-N -1 3 355.438 3.019 20 0 FGADHM O=C(N=c1cc2ccccn2[n-]1)c1cc(Br)c(F)cc1F ZINC000553323334 504882886 /nfs/dbraw/zinc/88/28/86/504882886.db2.gz KLRPCGNSAOAWJL-UHFFFAOYSA-N -1 3 352.138 3.049 20 0 FGADHM Cc1ccc(OCC[N-]S(=O)(=O)c2cccnc2C(F)(F)F)c(C)c1 ZINC000553437789 504915323 /nfs/dbraw/zinc/91/53/23/504915323.db2.gz IYGZTFPICUUHMV-UHFFFAOYSA-N -1 3 374.384 3.075 20 0 FGADHM C[C@H](NC(=O)CN1CC[C@H](C)[C@H](C(=O)[O-])C1)c1ccc(Cl)c(Cl)c1 ZINC000565539416 504917118 /nfs/dbraw/zinc/91/71/18/504917118.db2.gz NTJZPQMYWRHIQX-GMXVVIOVSA-N -1 3 373.280 3.213 20 0 FGADHM C[C@@H]1C[C@@H](NC(=O)CNC(=O)c2cccc([O-])c2)C[C@@H](c2ccccc2)C1 ZINC000562711491 504917858 /nfs/dbraw/zinc/91/78/58/504917858.db2.gz LISQVIMEANNZCO-ZYSHUDEJSA-N -1 3 366.461 3.211 20 0 FGADHM COC(=O)c1cccc(CC(=O)Nc2cc(C(F)(F)F)ccc2[O-])c1 ZINC000559802924 504929851 /nfs/dbraw/zinc/92/98/51/504929851.db2.gz PWESKCKXLVSUKN-UHFFFAOYSA-N -1 3 353.296 3.379 20 0 FGADHM CCOC(=O)CC1(CNC(=O)c2cc(=O)c3ccccc3[n-]2)CCCCC1 ZINC000559813258 504930844 /nfs/dbraw/zinc/93/08/44/504930844.db2.gz ACYATZRJJSOEFN-UHFFFAOYSA-N -1 3 370.449 3.162 20 0 FGADHM Cc1cc(C)cc(-c2nnc([N-]C(=O)c3cnn4c3OCCC4)s2)c1 ZINC000559852904 504938384 /nfs/dbraw/zinc/93/83/84/504938384.db2.gz JKEOBFVDKUJFMY-UHFFFAOYSA-N -1 3 355.423 3.053 20 0 FGADHM CSc1nnc(NC(=O)CCSc2ccccc2Br)[n-]1 ZINC000559887675 504943961 /nfs/dbraw/zinc/94/39/61/504943961.db2.gz HGGLZTNDKZAOKX-UHFFFAOYSA-N -1 3 373.301 3.410 20 0 FGADHM CSc1n[n-]c(NC(=O)CCSc2ccccc2Br)n1 ZINC000559887675 504943966 /nfs/dbraw/zinc/94/39/66/504943966.db2.gz 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ZINC000555066344 505340010 /nfs/dbraw/zinc/34/00/10/505340010.db2.gz VFMOEDCTXXFRBU-UHFFFAOYSA-N -1 3 364.796 3.244 20 0 FGADHM CN(CCc1cccc(Br)c1)C(=O)N=c1cc2ccccn2[n-]1 ZINC000561419655 505340976 /nfs/dbraw/zinc/34/09/76/505340976.db2.gz VCLSMYHFNCGCED-UHFFFAOYSA-N -1 3 373.254 3.225 20 0 FGADHM CN(C)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)CC(C)(C)O3)cc1 ZINC000551949748 505351345 /nfs/dbraw/zinc/35/13/45/505351345.db2.gz HSRJQFLTNHLZIV-UHFFFAOYSA-N -1 3 374.462 3.297 20 0 FGADHM C[C@H]1CCN(C(=O)c2c[n-]c3ccncc3c2=O)[C@@H]1c1cccc(F)c1 ZINC000567089498 505360093 /nfs/dbraw/zinc/36/00/93/505360093.db2.gz CDGVNXHSQDRAFD-SGTLLEGYSA-N -1 3 351.381 3.286 20 0 FGADHM O=S(=O)([N-][C@H](Cc1ccccc1)C1CC1)c1cccnc1C(F)(F)F ZINC000561513223 505365742 /nfs/dbraw/zinc/36/57/42/505365742.db2.gz XIAJUHCWTXJCBJ-CQSZACIVSA-N -1 3 370.396 3.400 20 0 FGADHM CC(C)c1ccc([C@@H](C)CC(=O)N2CCC[C@H]2c2nc(=N)n(C)[n-]2)cc1 ZINC000558401980 505378270 /nfs/dbraw/zinc/37/82/70/505378270.db2.gz XKUATVMLIFJUJI-YOEHRIQHSA-N 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/nfs/dbraw/zinc/39/53/65/505395365.db2.gz OZMNYJOZRFZXBR-UHFFFAOYSA-N -1 3 364.373 3.464 20 0 FGADHM COc1cccc(C(=O)Nc2ccc(N(C(C)=O)[C@@H]3C[C@H]3C)cc2)c1[O-] ZINC000561648804 505399607 /nfs/dbraw/zinc/39/96/07/505399607.db2.gz LBFYDOPNXFEXPQ-SJKOYZFVSA-N -1 3 354.406 3.414 20 0 FGADHM CCC[N@H+](CC)C[C@@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000558480743 505403137 /nfs/dbraw/zinc/40/31/37/505403137.db2.gz PWLQVUDRJZTUFO-LLVKDONJSA-N -1 3 353.315 3.392 20 0 FGADHM CCCN(CC)C[C@@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000558480743 505403146 /nfs/dbraw/zinc/40/31/46/505403146.db2.gz PWLQVUDRJZTUFO-LLVKDONJSA-N -1 3 353.315 3.392 20 0 FGADHM Cc1ccc(CN2CC[C@H](CN(C)C(=O)c3ccc(F)cc3[O-])C2)s1 ZINC000552133642 505411229 /nfs/dbraw/zinc/41/12/29/505411229.db2.gz POECWFNYNDGVOS-CQSZACIVSA-N -1 3 362.470 3.495 20 0 FGADHM Cc1cccc([O-])c1NC(=O)CCCCN1C(=O)c2ccccc2C1=O ZINC000552138226 505412381 /nfs/dbraw/zinc/41/23/81/505412381.db2.gz JGTMUDCUAMRLCG-UHFFFAOYSA-N -1 3 352.390 3.106 20 0 FGADHM Cc1noc(C(C)(C)[N-]S(=O)(=O)c2ccc(CCC(C)C)cc2)n1 ZINC000567297059 505421287 /nfs/dbraw/zinc/42/12/87/505421287.db2.gz IUZBFFCPCABAIX-UHFFFAOYSA-N -1 3 351.472 3.180 20 0 FGADHM CCOc1cc(CN2CCC(OC[C@@H]3CCOC3)CC2)cc(Cl)c1[O-] ZINC000567330383 505431103 /nfs/dbraw/zinc/43/11/03/505431103.db2.gz ZFVITXPRIJYRJP-CQSZACIVSA-N -1 3 369.889 3.462 20 0 FGADHM COCC1(C[N-]S(=O)(=O)c2ccc(-c3csc(C)n3)s2)CCC1 ZINC000558594485 505433107 /nfs/dbraw/zinc/43/31/07/505433107.db2.gz JTLHQZUOZGJENX-UHFFFAOYSA-N -1 3 372.537 3.275 20 0 FGADHM COC(=O)c1c(F)ccc([N-]S(=O)(=O)c2ccccc2SC)c1F ZINC000558593454 505433192 /nfs/dbraw/zinc/43/31/92/505433192.db2.gz XUAPEXDKXVFBLT-UHFFFAOYSA-N -1 3 373.402 3.274 20 0 FGADHM O=S(=O)([N-][C@H]1CCC[C@H]1F)c1ccc(Br)c(Cl)c1 ZINC000555454835 505434938 /nfs/dbraw/zinc/43/49/38/505434938.db2.gz WOCDSYGMUCEPTI-MNOVXSKESA-N -1 3 356.644 3.271 20 0 FGADHM CC(=O)c1cccc(NC(=O)c2cccnc2OCC(F)(F)F)c1[O-] ZINC000552286711 505451122 /nfs/dbraw/zinc/45/11/22/505451122.db2.gz WSMCQKUGKFSWFA-UHFFFAOYSA-N -1 3 354.284 3.183 20 0 FGADHM CC(C)(Oc1cccc(Cl)c1)C(=O)N=c1[nH][n-]cc1Br ZINC000552288188 505451213 /nfs/dbraw/zinc/45/12/13/505451213.db2.gz HCWQNZUHMBXBLH-UHFFFAOYSA-N -1 3 358.623 3.044 20 0 FGADHM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21 ZINC000564607364 505467569 /nfs/dbraw/zinc/46/75/69/505467569.db2.gz KLOQZNKPIJSNDP-JHJVBQTASA-N -1 3 362.426 3.133 20 0 FGADHM CCOC(=O)[C@@H](NCc1ccc([O-])c2nc(C)ccc12)c1cccc(O)c1 ZINC000558723557 505474100 /nfs/dbraw/zinc/47/41/00/505474100.db2.gz PUGUATPQSMUQRC-IBGZPJMESA-N -1 3 366.417 3.348 20 0 FGADHM COC(=O)COc1c(C)cc(C(=O)Nc2cccc(C(C)=O)c2[O-])cc1C ZINC000567474652 505475587 /nfs/dbraw/zinc/47/55/87/505475587.db2.gz NCKFJPHQZYSRGL-UHFFFAOYSA-N -1 3 371.389 3.016 20 0 FGADHM O=C(c1c([O-])cnc2ccc(Cl)cc21)N1CCN(C2CCCC2)CC1 ZINC000558734320 505477043 /nfs/dbraw/zinc/47/70/43/505477043.db2.gz LFHCKIJKVGXVQV-UHFFFAOYSA-N -1 3 359.857 3.294 20 0 FGADHM Cc1cc(C)c(Cc2noc(-c3cncc([N-]S(C)(=O)=O)c3)n2)c(C)c1 ZINC000567528774 505489036 /nfs/dbraw/zinc/48/90/36/505489036.db2.gz OZLVRZCDXXCTDP-UHFFFAOYSA-N -1 3 372.450 3.019 20 0 FGADHM Cn1cnc2c1nccc2C(=O)[N-]c1nnc(CC2CCCCC2)s1 ZINC000567535888 505491342 /nfs/dbraw/zinc/49/13/42/505491342.db2.gz UAUUURSICLORTN-UHFFFAOYSA-N -1 3 356.455 3.195 20 0 FGADHM O=c1cc(C(F)(F)F)nc(CS(=O)(=O)CCC2=CCCCC2)[n-]1 ZINC000567588528 505507795 /nfs/dbraw/zinc/50/77/95/505507795.db2.gz QCQVDTYBNNCPKF-UHFFFAOYSA-N -1 3 350.362 3.006 20 0 FGADHM CCOc1ccc(N(CC)C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)cc1 ZINC000555957537 505547846 /nfs/dbraw/zinc/54/78/46/505547846.db2.gz HHYGWMHBPLCKBP-UHFFFAOYSA-N -1 3 353.378 3.027 20 0 FGADHM O=C([O-])CCN(Cc1csc(-c2cccs2)n1)C1CCOCC1 ZINC000564965535 505564148 /nfs/dbraw/zinc/56/41/48/505564148.db2.gz IVQLWKJKBFUGGA-UHFFFAOYSA-N -1 3 352.481 3.327 20 0 FGADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)Nc1cc(F)cc(F)c1F ZINC000582743437 506394319 /nfs/dbraw/zinc/39/43/19/506394319.db2.gz 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ZINC000599517448 506482953 /nfs/dbraw/zinc/48/29/53/506482953.db2.gz WLWLDUSVSUIVNV-UHFFFAOYSA-N -1 3 370.434 3.102 20 0 FGADHM O=C(N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1)[C@H]1CCCS1 ZINC000608359092 506525657 /nfs/dbraw/zinc/52/56/57/506525657.db2.gz IMGLSWNZTKDSER-GFCCVEGCSA-N -1 3 370.247 3.234 20 0 FGADHM CC(=O)c1ccc(C(=O)Nc2ccccc2N2CCC(CO)CC2)cc1[O-] ZINC000612434395 506578524 /nfs/dbraw/zinc/57/85/24/506578524.db2.gz OXUPJCKNHZDNFP-UHFFFAOYSA-N -1 3 368.433 3.056 20 0 FGADHM COC(=O)c1cc(Cl)cc(NC(=O)c2cccc3ccc(=O)[nH]c32)c1[O-] ZINC000589528088 506579152 /nfs/dbraw/zinc/57/91/52/506579152.db2.gz NINVMDJPVXOKHZ-UHFFFAOYSA-N -1 3 372.764 3.338 20 0 FGADHM COC(=O)c1c(F)ccc([N-]S(=O)(=O)c2cccc(Cl)c2)c1F ZINC000589559536 506587105 /nfs/dbraw/zinc/58/71/05/506587105.db2.gz BWIKGGDAPWVHQQ-UHFFFAOYSA-N -1 3 361.753 3.206 20 0 FGADHM [O-]c1ccc(F)c(CNc2ccc(I)cn2)c1F ZINC000589596817 506595985 /nfs/dbraw/zinc/59/59/85/506595985.db2.gz SXOLHAPYVQXHMF-UHFFFAOYSA-N -1 3 362.117 3.282 20 0 FGADHM CCOC(=O)[C@H](CC)N(C(=O)c1cc([O-])cc(Br)c1)C1CC1 ZINC000599806856 506648379 /nfs/dbraw/zinc/64/83/79/506648379.db2.gz AGBLBZDXLXQBAC-AWEZNQCLSA-N -1 3 370.243 3.101 20 0 FGADHM CCOc1nc2cc(C(=O)NCc3noc(-c4cccs4)n3)ccc2[n-]1 ZINC000583289068 506698246 /nfs/dbraw/zinc/69/82/46/506698246.db2.gz ICXBZLUVUXMUEA-UHFFFAOYSA-N -1 3 369.406 3.003 20 0 FGADHM CCOc1nc2ccc(C(=O)NCc3noc(-c4cccs4)n3)cc2[n-]1 ZINC000583289068 506698254 /nfs/dbraw/zinc/69/82/54/506698254.db2.gz ICXBZLUVUXMUEA-UHFFFAOYSA-N -1 3 369.406 3.003 20 0 FGADHM O=C(N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1)c1ccc(O)cc1[O-] ZINC000604250155 506764708 /nfs/dbraw/zinc/76/47/08/506764708.db2.gz NAZWYTSFLRUGEL-LBPRGKRZSA-N -1 3 366.339 3.125 20 0 FGADHM Cc1csc(CCNC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)n1 ZINC000612819902 506766057 /nfs/dbraw/zinc/76/60/57/506766057.db2.gz VUANOVWMIFLMFI-UHFFFAOYSA-N -1 3 369.450 3.287 20 0 FGADHM C[C@@H]1CC[C@H](C(=O)[O-])CN1CC(=O)N[C@H](c1ccccc1)C1CCCC1 ZINC000583499437 506814306 /nfs/dbraw/zinc/81/43/06/506814306.db2.gz GTTBZNNJFHAPGO-MOXGXCLJSA-N -1 3 358.482 3.219 20 0 FGADHM Cc1ccc(-c2nnc(NC(=O)[C@]3(C(=O)OC(C)(C)C)CC=CCC3)[n-]2)o1 ZINC000593894424 506823970 /nfs/dbraw/zinc/82/39/70/506823970.db2.gz HZIVUNBSNGPGEM-IBGZPJMESA-N -1 3 372.425 3.380 20 0 FGADHM Cc1ccc(-c2n[n-]c(NC(=O)[C@]3(C(=O)OC(C)(C)C)CC=CCC3)n2)o1 ZINC000593894424 506823977 /nfs/dbraw/zinc/82/39/77/506823977.db2.gz HZIVUNBSNGPGEM-IBGZPJMESA-N -1 3 372.425 3.380 20 0 FGADHM Cc1ccc(-c2nc(NC(=O)[C@]3(C(=O)OC(C)(C)C)CC=CCC3)n[n-]2)o1 ZINC000593894424 506823983 /nfs/dbraw/zinc/82/39/83/506823983.db2.gz HZIVUNBSNGPGEM-IBGZPJMESA-N -1 3 372.425 3.380 20 0 FGADHM COc1cc(F)c(S(=O)(=O)[N-][C@H](C)c2cccc(C)c2C)cc1OC ZINC000604411631 506824267 /nfs/dbraw/zinc/82/42/67/506824267.db2.gz HZFXYXJOAAWXLC-CYBMUJFWSA-N -1 3 367.442 3.499 20 0 FGADHM CCOC(=O)Cc1c2ccccc2[nH]c1C(=O)Nc1cc(F)ccc1[O-] ZINC000590441644 506824752 /nfs/dbraw/zinc/82/47/52/506824752.db2.gz MFYLKFXIDFIDHV-UHFFFAOYSA-N -1 3 356.353 3.371 20 0 FGADHM CC(=O)N[C@@H](CCC(C)C)C(=O)Nc1cc(Br)ccc1[O-] ZINC000613026870 506871793 /nfs/dbraw/zinc/87/17/93/506871793.db2.gz IKGRMJOLINDPLR-LBPRGKRZSA-N -1 3 357.248 3.034 20 0 FGADHM CCn1c2ccccc2c2cc([N-]S(=O)(=O)CCC(=O)OC)ccc21 ZINC000609387695 506872937 /nfs/dbraw/zinc/87/29/37/506872937.db2.gz GKWUUMSQBUOKIC-UHFFFAOYSA-N -1 3 360.435 3.119 20 0 FGADHM C[C@H](C1CC1)N(Cc1ccccc1)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000600254089 506874799 /nfs/dbraw/zinc/87/47/99/506874799.db2.gz UNHNMKMYBPEVGE-OAHLLOKOSA-N -1 3 372.490 3.499 20 0 FGADHM CCOc1ncccc1C(=O)[N-]c1nc(-c2ccc(OC)cc2)ns1 ZINC000590683044 506906790 /nfs/dbraw/zinc/90/67/90/506906790.db2.gz IDTIKZBIWSHEPP-UHFFFAOYSA-N -1 3 356.407 3.260 20 0 FGADHM C[C@H]1C[C@@H]1c1ccc(C[N-]S(=O)(=O)c2cnc3onc(C4CC4)c3c2)o1 ZINC000583682160 506913208 /nfs/dbraw/zinc/91/32/08/506913208.db2.gz AJTXTJRNACQTTJ-HZMBPMFUSA-N -1 3 373.434 3.295 20 0 FGADHM CC(C)([N-]S(=O)(=O)c1csc(-c2ccccc2)n1)c1nccs1 ZINC000604772101 506936217 /nfs/dbraw/zinc/93/62/17/506936217.db2.gz BVLYUQCUBLPJSW-UHFFFAOYSA-N -1 3 365.505 3.480 20 0 FGADHM CCCCn1c(=O)[n-]nc1S[C@@H](Cc1ccc(F)cc1)C(=O)OCC ZINC000600514264 506978329 /nfs/dbraw/zinc/97/83/29/506978329.db2.gz NEXQCBVGZDWVBV-AWEZNQCLSA-N -1 3 367.446 3.189 20 0 FGADHM COC(=O)[C@@H]1CCN(C(=O)CCCc2ccc([O-])c(F)c2)[C@@H]2CCC[C@H]21 ZINC000600553938 506996323 /nfs/dbraw/zinc/99/63/23/506996323.db2.gz UKSRCZFGCBAMGX-ZMSDIMECSA-N -1 3 363.429 3.044 20 0 FGADHM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(-c4cncnc4)cc3)ccc2O1 ZINC000605118867 507082946 /nfs/dbraw/zinc/08/29/46/507082946.db2.gz KRRNSPFBTQOKON-ZDUSSCGKSA-N -1 3 367.430 3.268 20 0 FGADHM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(Cl)c2F)ccc1OC ZINC000610056792 507084008 /nfs/dbraw/zinc/08/40/08/507084008.db2.gz WYSCBAOIDMEZLV-UHFFFAOYSA-N -1 3 373.789 3.075 20 0 FGADHM CCCS(=O)(=O)[N-]c1cc(NC(=O)c2cccc(C)n2)c(F)cc1F ZINC000591045513 507092604 /nfs/dbraw/zinc/09/26/04/507092604.db2.gz OAAPMBCSLCBKAC-UHFFFAOYSA-N -1 3 369.393 3.072 20 0 FGADHM 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507286336 /nfs/dbraw/zinc/28/63/36/507286336.db2.gz RJNYOUVFQXQMIT-IEBWSBKVSA-N -1 3 372.490 3.372 20 0 FGADHM COC(=O)[C@@](C)(CCF)NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000598287830 507360578 /nfs/dbraw/zinc/36/05/78/507360578.db2.gz WPYISRZNVRDHOE-HXUWFJFHSA-N -1 3 359.397 3.004 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)c1cc(F)ccc1F ZINC000591813958 507375104 /nfs/dbraw/zinc/37/51/04/507375104.db2.gz SQSLOYCTAQIEFV-ZETCQYMHSA-N -1 3 351.296 3.422 20 0 FGADHM O=C(Nc1cccc(-c2ncc3n2CCCC3)c1)c1cccc2nn[n-]c21 ZINC000584508690 507382931 /nfs/dbraw/zinc/38/29/31/507382931.db2.gz GFSWBHSXYOPLQO-UHFFFAOYSA-N -1 3 358.405 3.410 20 0 FGADHM O=C(Nc1cccc(-c2ncc3n2CCCC3)c1)c1cccc2[n-]nnc21 ZINC000584508690 507382937 /nfs/dbraw/zinc/38/29/37/507382937.db2.gz GFSWBHSXYOPLQO-UHFFFAOYSA-N -1 3 358.405 3.410 20 0 FGADHM O=C(Nc1cccc(-c2ncc3n2CCCC3)c1)c1cccc2n[n-]nc21 ZINC000584508690 507382941 /nfs/dbraw/zinc/38/29/41/507382941.db2.gz GFSWBHSXYOPLQO-UHFFFAOYSA-N -1 3 358.405 3.410 20 0 FGADHM 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357.360 3.427 20 0 FGADHM CCc1ncc(S(=O)(=O)[N-][C@@H]2CCCOc3ccc(F)cc32)s1 ZINC000584871752 507551202 /nfs/dbraw/zinc/55/12/02/507551202.db2.gz CPVJLPKHAXPMAV-GFCCVEGCSA-N -1 3 356.444 3.037 20 0 FGADHM COc1ccc(C)cc1C[N-]S(=O)(=O)Cc1cc(-c2ccccc2)no1 ZINC000585775500 507624141 /nfs/dbraw/zinc/62/41/41/507624141.db2.gz SLQZOYVSPQRBIW-UHFFFAOYSA-N -1 3 372.446 3.278 20 0 FGADHM COC(=O)c1ccccc1-c1ccc(CN2CCC(C)(C(=O)[O-])CC2)o1 ZINC000592423061 507652135 /nfs/dbraw/zinc/65/21/35/507652135.db2.gz ITCBYLLPCFORGL-UHFFFAOYSA-N -1 3 357.406 3.420 20 0 FGADHM CC[C@@H](NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)C1CCCCC1 ZINC000586271559 507652327 /nfs/dbraw/zinc/65/23/27/507652327.db2.gz SYLYDAFKGXMARV-GOSISDBHSA-N -1 3 373.497 3.219 20 0 FGADHM CCCCc1ccc(C(=O)N2CCN(C(=O)c3cccc([O-])c3)CC2)cc1 ZINC000586761257 507662354 /nfs/dbraw/zinc/66/23/54/507662354.db2.gz MNVCKFZQDKZNFO-UHFFFAOYSA-N -1 3 366.461 3.333 20 0 FGADHM O=C([N-]c1nnc(SCc2cccs2)s1)c1nccn2ccnc12 ZINC000607283898 507678007 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COC(=O)c1cc(Cl)cc([N-]C(=O)c2c(F)ccc(F)c2OC)c1O ZINC000588098726 507761683 /nfs/dbraw/zinc/76/16/83/507761683.db2.gz ZJGNKAFIVVNHDK-UHFFFAOYSA-N -1 3 371.723 3.371 20 0 FGADHM COC(=O)c1cc(Cl)cc(NC(=O)Cc2cc(C)ccc2OC)c1[O-] ZINC000588101028 507762387 /nfs/dbraw/zinc/76/23/87/507762387.db2.gz UUCMHPDNSHTCAF-UHFFFAOYSA-N -1 3 363.797 3.330 20 0 FGADHM CCN(C(=O)N=c1cc(C)c(C)n[n-]1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475012379 514522846 /nfs/dbraw/zinc/52/28/46/514522846.db2.gz FDFFJWLFCVNEPQ-GOSISDBHSA-N -1 3 353.470 3.222 20 0 FGADHM O=C(N=c1cc(-c2ccncc2)[n-][nH]1)[C@H]1COc2ccc(Cl)cc2C1 ZINC000502976799 514864647 /nfs/dbraw/zinc/86/46/47/514864647.db2.gz BOKQOLGIPMGIAF-CYBMUJFWSA-N -1 3 354.797 3.315 20 0 FGADHM Cc1ccc(OCC(=O)N=c2cc3ccc(Br)cn3[n-]2)cc1 ZINC000509080094 515014181 /nfs/dbraw/zinc/01/41/81/515014181.db2.gz KADIOXUGBSBGHO-UHFFFAOYSA-N -1 3 360.211 3.423 20 0 FGADHM CO[C@@H](C)c1noc(CCC(=O)N=c2cc(-c3cc(C)cc(C)c3)[n-][nH]2)n1 ZINC000489963194 515048871 /nfs/dbraw/zinc/04/88/71/515048871.db2.gz ZBKCVMKROJGXAV-ZDUSSCGKSA-N -1 3 369.425 3.355 20 0 FGADHM CC(=O)c1ccc(SCC(=O)N=c2cc(OC(F)F)n(C)[n-]2)cc1F ZINC000490912967 515333041 /nfs/dbraw/zinc/33/30/41/515333041.db2.gz ALNGOTAPXNWJHI-UHFFFAOYSA-N -1 3 373.356 3.094 20 0 FGADHM Cn1[n-]c(=NC(=O)c2cnc(-c3ccsc3)s2)cc1OC(F)F ZINC000490926122 515334590 /nfs/dbraw/zinc/33/45/90/515334590.db2.gz KVLVAILEZRMRDD-UHFFFAOYSA-N -1 3 356.379 3.459 20 0 FGADHM Cc1ccccc1-c1cc(=NC(=O)[C@@H](C)Oc2cccc(CO)c2)[nH][n-]1 ZINC000486208464 515380716 /nfs/dbraw/zinc/38/07/16/515380716.db2.gz TVHRWYIMCLZXBV-CQSZACIVSA-N -1 3 351.406 3.283 20 0 FGADHM CCc1n[n-]c(=NC(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)s1 ZINC000472763035 515387441 /nfs/dbraw/zinc/38/74/41/515387441.db2.gz OGVRYIJRQRJHST-OAHLLOKOSA-N -1 3 359.499 3.229 20 0 FGADHM O=C(Cc1ccc(F)cc1Br)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000473848121 515773821 /nfs/dbraw/zinc/77/38/21/515773821.db2.gz GPXKMULAWMESKG-ZDUSSCGKSA-N -1 3 368.206 3.344 20 0 FGADHM CC(=O)c1ccc(OCCCC(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)cc1 ZINC000473852276 515775727 /nfs/dbraw/zinc/77/57/27/515775727.db2.gz SUPVXMAQKFFCDO-KRWDZBQOSA-N -1 3 357.410 3.262 20 0 FGADHM CCN=c1[n-]c(C(=O)NCc2c(C)nn(Cc3ccccc3)c2C)cs1 ZINC000478485716 515844389 /nfs/dbraw/zinc/84/43/89/515844389.db2.gz URQRPDYZKKFENU-UHFFFAOYSA-N -1 3 369.494 3.367 20 0 FGADHM [O-]c1ccc(F)c(CNCCNc2ccc(-c3ccccc3)nn2)c1F ZINC000512068855 516139225 /nfs/dbraw/zinc/13/92/25/516139225.db2.gz UNLKRYFMWAHMLN-UHFFFAOYSA-N -1 3 356.376 3.329 20 0 FGADHM CCN(CC)C[C@H](C)NC(=O)N=c1[n-]nc(Cc2ccccc2F)s1 ZINC000518168803 516565266 /nfs/dbraw/zinc/56/52/66/516565266.db2.gz LEMQCOXZIQKWFR-LBPRGKRZSA-N -1 3 365.478 3.120 20 0 FGADHM C[C@@H](C(=O)N=c1cc2ccc(Br)cn2[n-]1)N1[C@H](C)CC[C@H]1C ZINC000513741756 516736953 /nfs/dbraw/zinc/73/69/53/516736953.db2.gz CTMMIEFZXHXCHI-UTUOFQBUSA-N -1 3 365.275 3.297 20 0 FGADHM Cn1cc(-c2ccc(F)c(C(=O)N=c3cc(-c4cccnc4)[n-][nH]3)c2)cn1 ZINC000541169434 516910526 /nfs/dbraw/zinc/91/05/26/516910526.db2.gz GLORWOSAIKNWKR-UHFFFAOYSA-N -1 3 362.368 3.264 20 0 FGADHM CC(C)N(C)C[C@@H](O)CSc1n[n-]c(=Nc2ccccc2F)s1 ZINC000514734819 517031796 /nfs/dbraw/zinc/03/17/96/517031796.db2.gz MRDFJHFYAKEDIF-LLVKDONJSA-N -1 3 356.492 3.214 20 0 FGADHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1cc(Cl)c2c(c1)OCCCO2 ZINC000526960796 517412938 /nfs/dbraw/zinc/41/29/38/517412938.db2.gz OONSXRCSTHKCQC-ZDUSSCGKSA-N -1 3 363.801 3.328 20 0 FGADHM Cc1ccccc1-c1cc(=NC(=O)Cn2cc(-c3ccccc3)nn2)[nH][n-]1 ZINC000538221058 517511241 /nfs/dbraw/zinc/51/12/41/517511241.db2.gz VSWYUXJVMHHFRO-UHFFFAOYSA-N -1 3 358.405 3.282 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)C2C[C@H](C)O[C@@H](C)C2)c1-c1ccc2c(c1)OCCO2 ZINC000538822283 517793968 /nfs/dbraw/zinc/79/39/68/517793968.db2.gz NAIAZAYBZKOKHD-RYUDHWBXSA-N -1 3 371.437 3.298 20 0 FGADHM O=C(N=c1cc(-c2ccccc2)[n-][nH]1)[C@H]1CC(=O)N(C2CCCCC2)C1 ZINC000522108562 517988848 /nfs/dbraw/zinc/98/88/48/517988848.db2.gz VPKSJMRBLVZBKB-HNNXBMFYSA-N -1 3 352.438 3.196 20 0 FGADHM COc1ccc2c(c1)c(C(=O)N=c1cc([C@@H]3CCCO3)[n-][nH]1)c(C)n2C ZINC000616823460 520162354 /nfs/dbraw/zinc/16/23/54/520162354.db2.gz OBMHFYXGZLMXCR-INIZCTEOSA-N -1 3 354.410 3.322 20 0 FGADHM CCN=c1[n-]c(C(=O)N[C@H](c2cccs2)C2(CO)CCC2)cs1 ZINC000616888772 520211687 /nfs/dbraw/zinc/21/16/87/520211687.db2.gz OWHHINHACBHYFW-CYBMUJFWSA-N -1 3 351.497 3.270 20 0 FGADHM CCN=c1[n-]c(C(=O)N(Cc2ccccc2)C[C@H](O)C(F)(F)F)cs1 ZINC000613370376 520466112 /nfs/dbraw/zinc/46/61/12/520466112.db2.gz MZPMFYNXNLNAKI-ZDUSSCGKSA-N -1 3 373.400 3.141 20 0 FGADHM CCC1(C(=O)N=c2[n-]n(C)cc2I)CCCCC1 ZINC000602382803 521310697 /nfs/dbraw/zinc/31/06/97/521310697.db2.gz XQYJNCXXIOHNAF-UHFFFAOYSA-N -1 3 361.227 3.324 20 0 FGADHM CC1=CC[C@](C)(C(=O)N=c2[n-]n(C)cc2I)CC1 ZINC000602389240 521315685 /nfs/dbraw/zinc/31/56/85/521315685.db2.gz FIEQOUSPFBCJCA-ZDUSSCGKSA-N -1 3 359.211 3.100 20 0 FGADHM COc1cc(=NC(=O)N2CCC[C@@H](c3ccc(F)c(F)c3)C2)[n-]n1C ZINC000626509791 522242349 /nfs/dbraw/zinc/24/23/49/522242349.db2.gz YCVBZRDSVMHCPF-GFCCVEGCSA-N -1 3 350.369 3.118 20 0 FGADHM CC(C)(C)N1C[C@@H](C(=O)N=c2cc(-c3cccc(Cl)c3)[n-][nH]2)CC1=O ZINC000622891128 523531958 /nfs/dbraw/zinc/53/19/58/523531958.db2.gz GUUZXDMUKVAYRB-LBPRGKRZSA-N -1 3 360.845 3.316 20 0 FGADHM Cn1[n-]c(=NC(=O)COc2ccc(C(F)(F)F)cc2)cc1OC(F)F ZINC000490978974 561441197 /nfs/dbraw/zinc/44/11/97/561441197.db2.gz ZTZIMOSKADAFJS-UHFFFAOYSA-N -1 3 365.258 3.058 20 0 FGADHM CN(C)[C@@H](C(=O)N=c1[n-]n(C)cc1Br)c1cccc(Cl)c1 ZINC000517032504 562072489 /nfs/dbraw/zinc/07/24/89/562072489.db2.gz ZRODLRJSEGUQHJ-GFCCVEGCSA-N -1 3 371.666 3.077 20 0 FGADHM CNC(=O)c1ccc(=NC[C@H](CC(C)C)N[C@@H](C)c2ccccc2)[n-]n1 ZINC000470859087 560991970 /nfs/dbraw/zinc/99/19/70/560991970.db2.gz IRAJCWFIYRGLOX-RDJZCZTQSA-N -1 3 355.486 3.014 20 0 FGADHM Cc1cccc(F)c1S(=O)(=O)[N-]CCNc1ccc2ccccc2n1 ZINC000475777495 561105033 /nfs/dbraw/zinc/10/50/33/561105033.db2.gz IWKZPXGJHJRPFY-UHFFFAOYSA-N -1 3 359.426 3.073 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@@H]2CCc3ncncc3C2)c1-c1ccc(F)cc1 ZINC000530277774 562405106 /nfs/dbraw/zinc/40/51/06/562405106.db2.gz XHCIUCMZZYQTSI-CYBMUJFWSA-N -1 3 351.385 3.058 20 0 FGADHM CC[C@@H](NC(=O)c1c(C)cccc1[O-])[C@H](c1ccc(C)cc1)n1cncn1 ZINC000626270676 568535765 /nfs/dbraw/zinc/53/57/65/568535765.db2.gz JJNNDNWJEBFGRH-XLIONFOSSA-N -1 3 364.449 3.399 20 0 FGADHM Cc1ccccc1-n1nccc1NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000737414935 598825127 /nfs/dbraw/zinc/82/51/27/598825127.db2.gz HQYPCIVSIZGKRH-KHPPLWFESA-N -1 3 371.404 3.013 20 0 FGADHM Cc1ccccc1-n1nccc1NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000737414935 598825128 /nfs/dbraw/zinc/82/51/28/598825128.db2.gz HQYPCIVSIZGKRH-KHPPLWFESA-N -1 3 371.404 3.013 20 0 FGADHM CC(C)[C@@H](Cc1ccccc1)C(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000735710112 598830616 /nfs/dbraw/zinc/83/06/16/598830616.db2.gz MPSZTNZTKLLCDG-LJQANCHMSA-N -1 3 363.465 3.340 20 0 FGADHM CC(C)[C@@H](Cc1ccccc1)C(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000735710112 598830619 /nfs/dbraw/zinc/83/06/19/598830619.db2.gz MPSZTNZTKLLCDG-LJQANCHMSA-N -1 3 363.465 3.340 20 0 FGADHM CCC[C@H](C)C(=O)Nc1c(C)c(C)nn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000736420146 598839362 /nfs/dbraw/zinc/83/93/62/598839362.db2.gz QRBNJUOPSVZJPB-NSHDSACASA-N -1 3 353.430 3.044 20 0 FGADHM CCSc1cccc(NC(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)c1 ZINC000736666567 598865268 /nfs/dbraw/zinc/86/52/68/598865268.db2.gz LWOJNZDFQDUCJU-GFCCVEGCSA-N -1 3 369.450 3.385 20 0 FGADHM CCSc1cccc(NC(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)c1 ZINC000736666567 598865269 /nfs/dbraw/zinc/86/52/69/598865269.db2.gz LWOJNZDFQDUCJU-GFCCVEGCSA-N -1 3 369.450 3.385 20 0 FGADHM CCCCC1CCC(N[C@@H](C(=O)OC)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736440703 598882169 /nfs/dbraw/zinc/88/21/69/598882169.db2.gz FPCDANBWMXRBDZ-IUPXNIOVSA-N -1 3 371.485 3.419 20 0 FGADHM CCCCC1CCC(N[C@@H](C(=O)OC)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736440703 598882171 /nfs/dbraw/zinc/88/21/71/598882171.db2.gz FPCDANBWMXRBDZ-IUPXNIOVSA-N -1 3 371.485 3.419 20 0 FGADHM CC[C@H](N[C@@H](C(=O)OC)c1ccc(-c2nnn[n-]2)cc1)C1CCCCC1 ZINC000736371645 598883892 /nfs/dbraw/zinc/88/38/92/598883892.db2.gz REWKXXFELVJYGF-DLBZAZTESA-N -1 3 357.458 3.029 20 0 FGADHM CC[C@H](N[C@@H](C(=O)OC)c1ccc(-c2nn[n-]n2)cc1)C1CCCCC1 ZINC000736371645 598883894 /nfs/dbraw/zinc/88/38/94/598883894.db2.gz REWKXXFELVJYGF-DLBZAZTESA-N -1 3 357.458 3.029 20 0 FGADHM COC(=O)[C@@H](N[C@H](C)c1cccc(C)c1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736899691 598886121 /nfs/dbraw/zinc/88/61/21/598886121.db2.gz ZAXWSVKMROERLQ-KDOFPFPSSA-N -1 3 365.437 3.048 20 0 FGADHM COC(=O)[C@@H](N[C@H](C)c1cccc(C)c1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736899691 598886123 /nfs/dbraw/zinc/88/61/23/598886123.db2.gz ZAXWSVKMROERLQ-KDOFPFPSSA-N -1 3 365.437 3.048 20 0 FGADHM CC(C)CN(C)C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000735827355 598889793 /nfs/dbraw/zinc/88/97/93/598889793.db2.gz LIPPYEBKWRPAOT-UHFFFAOYSA-N -1 3 370.482 3.393 20 0 FGADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cc2ccccn2c1 ZINC000735831027 598904093 /nfs/dbraw/zinc/90/40/93/598904093.db2.gz MEZWOMOHYRTPOC-UHFFFAOYSA-N -1 3 374.448 3.418 20 0 FGADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cc2ccccn2c1 ZINC000735831027 598904094 /nfs/dbraw/zinc/90/40/94/598904094.db2.gz MEZWOMOHYRTPOC-UHFFFAOYSA-N -1 3 374.448 3.418 20 0 FGADHM CS[C@@H](C(=O)OCc1ccc(F)cc1-c1nnn[n-]1)c1ccccc1 ZINC000737173517 598904214 /nfs/dbraw/zinc/90/42/14/598904214.db2.gz ZBQMAMKGXJJAEG-OAHLLOKOSA-N -1 3 358.398 3.153 20 0 FGADHM CS[C@@H](C(=O)OCc1ccc(F)cc1-c1nn[n-]n1)c1ccccc1 ZINC000737173517 598904215 /nfs/dbraw/zinc/90/42/15/598904215.db2.gz ZBQMAMKGXJJAEG-OAHLLOKOSA-N -1 3 358.398 3.153 20 0 FGADHM CCN(C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1)C1CC1 ZINC000736504628 598906069 /nfs/dbraw/zinc/90/60/69/598906069.db2.gz CBRKDOOVPOMNSG-UHFFFAOYSA-N -1 3 368.466 3.289 20 0 FGADHM Cc1nc(SCC(=O)N2CCCCC[C@@H]2C)c(-c2nnn[n-]2)c(C)c1C ZINC000737481863 598907912 /nfs/dbraw/zinc/90/79/12/598907912.db2.gz BVXPPMGJOZLDGI-NSHDSACASA-N -1 3 374.514 3.070 20 0 FGADHM Cc1nc(SCC(=O)N2CCCCC[C@@H]2C)c(-c2nn[n-]n2)c(C)c1C ZINC000737481863 598907915 /nfs/dbraw/zinc/90/79/15/598907915.db2.gz BVXPPMGJOZLDGI-NSHDSACASA-N -1 3 374.514 3.070 20 0 FGADHM CC[C@@H]1c2ccccc2CCN1C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000736408207 598907948 /nfs/dbraw/zinc/90/79/48/598907948.db2.gz QXRQENAYGLIHBB-LJQANCHMSA-N -1 3 361.449 3.335 20 0 FGADHM CC[C@@H]1c2ccccc2CCN1C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000736408207 598907950 /nfs/dbraw/zinc/90/79/50/598907950.db2.gz QXRQENAYGLIHBB-LJQANCHMSA-N -1 3 361.449 3.335 20 0 FGADHM CC(C)c1ccc([C@@H]2C[C@H]2C(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000525375648 598910638 /nfs/dbraw/zinc/91/06/38/598910638.db2.gz YWZGTQPEWIRLSB-RBUKOAKNSA-N -1 3 361.449 3.410 20 0 FGADHM CC(C)c1ccc([C@@H]2C[C@H]2C(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000525375648 598910639 /nfs/dbraw/zinc/91/06/39/598910639.db2.gz YWZGTQPEWIRLSB-RBUKOAKNSA-N -1 3 361.449 3.410 20 0 FGADHM CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)NCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735924032 598911174 /nfs/dbraw/zinc/91/11/74/598911174.db2.gz OGHILGDJPCIPDC-OALUTQOASA-N -1 3 361.449 3.410 20 0 FGADHM CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)NCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735924032 598911176 /nfs/dbraw/zinc/91/11/76/598911176.db2.gz OGHILGDJPCIPDC-OALUTQOASA-N -1 3 361.449 3.410 20 0 FGADHM CC[C@@H]1c2ccccc2CCN1C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000736406042 598923220 /nfs/dbraw/zinc/92/32/20/598923220.db2.gz ICJYVMXCDFWTPD-GOSISDBHSA-N -1 3 362.437 3.086 20 0 FGADHM CC[C@@H]1c2ccccc2CCN1C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000736406042 598923221 /nfs/dbraw/zinc/92/32/21/598923221.db2.gz ICJYVMXCDFWTPD-GOSISDBHSA-N -1 3 362.437 3.086 20 0 FGADHM CC1CCC(=CC(=O)Nc2ccnn2-c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736237655 598927552 /nfs/dbraw/zinc/92/75/52/598927552.db2.gz RZEYQRNKKLUPHX-UHFFFAOYSA-N -1 3 363.425 3.127 20 0 FGADHM Cc1cc(Oc2ccc(-c3nnn[n-]3)cc2)ccc1NC(=O)C1=COCC1 ZINC000737279283 598933389 /nfs/dbraw/zinc/93/33/89/598933389.db2.gz ISTWCYUGSUHFAU-UHFFFAOYSA-N -1 3 363.377 3.210 20 0 FGADHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1NC(=O)C1=COCC1 ZINC000737279283 598933391 /nfs/dbraw/zinc/93/33/91/598933391.db2.gz ISTWCYUGSUHFAU-UHFFFAOYSA-N -1 3 363.377 3.210 20 0 FGADHM CC[C@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1cc(F)ccc1F ZINC000736355909 598944189 /nfs/dbraw/zinc/94/41/89/598944189.db2.gz KQZWFVOMUHXRHY-JEZWAEDTSA-N -1 3 369.375 3.426 20 0 FGADHM CC[C@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1cc(F)ccc1F ZINC000736355909 598944190 /nfs/dbraw/zinc/94/41/90/598944190.db2.gz KQZWFVOMUHXRHY-JEZWAEDTSA-N -1 3 369.375 3.426 20 0 FGADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)NC1(c2cccc(Cl)c2)CC1 ZINC000737851864 598946094 /nfs/dbraw/zinc/94/60/94/598946094.db2.gz KZUZPYFIQMCNNS-UHFFFAOYSA-N -1 3 367.840 3.258 20 0 FGADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)NC1(c2cccc(Cl)c2)CC1 ZINC000737851864 598946095 /nfs/dbraw/zinc/94/60/95/598946095.db2.gz KZUZPYFIQMCNNS-UHFFFAOYSA-N -1 3 367.840 3.258 20 0 FGADHM O=C(Nc1ccc(F)cc1OCC1CC1)c1sccc1-c1nnn[n-]1 ZINC000738165212 598946796 /nfs/dbraw/zinc/94/67/96/598946796.db2.gz GTYPHFRDLBSKCS-UHFFFAOYSA-N -1 3 359.386 3.108 20 0 FGADHM O=C(Nc1ccc(F)cc1OCC1CC1)c1sccc1-c1nn[n-]n1 ZINC000738165212 598946797 /nfs/dbraw/zinc/94/67/97/598946797.db2.gz GTYPHFRDLBSKCS-UHFFFAOYSA-N -1 3 359.386 3.108 20 0 FGADHM O=C(OCC1CC1)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000738220203 598969273 /nfs/dbraw/zinc/96/92/73/598969273.db2.gz PYPSLNJPACUNBM-UHFFFAOYSA-N -1 3 350.378 3.013 20 0 FGADHM O=C(OCC1CC1)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000738220203 598969276 /nfs/dbraw/zinc/96/92/76/598969276.db2.gz PYPSLNJPACUNBM-UHFFFAOYSA-N -1 3 350.378 3.013 20 0 FGADHM CCO[C@@H]1C[C@@H](N(C)c2ncc(-c3nnn[n-]3)cc2Cl)C12CCCC2 ZINC000736608172 598977755 /nfs/dbraw/zinc/97/77/55/598977755.db2.gz AMZSTBHRHIISFN-ZIAGYGMSSA-N -1 3 362.865 3.089 20 0 FGADHM CCO[C@@H]1C[C@@H](N(C)c2ncc(-c3nn[n-]n3)cc2Cl)C12CCCC2 ZINC000736608172 598977757 /nfs/dbraw/zinc/97/77/57/598977757.db2.gz AMZSTBHRHIISFN-ZIAGYGMSSA-N -1 3 362.865 3.089 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OCCN(C)c1cccc(C)c1C ZINC000737031016 598982503 /nfs/dbraw/zinc/98/25/03/598982503.db2.gz CUUZOOQRYYRZFX-UHFFFAOYSA-N -1 3 353.426 3.007 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OCCN(C)c1cccc(C)c1C ZINC000737031016 598982508 /nfs/dbraw/zinc/98/25/08/598982508.db2.gz CUUZOOQRYYRZFX-UHFFFAOYSA-N -1 3 353.426 3.007 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)Oc1ccc(C(C)C)cc1 ZINC000737226272 598996666 /nfs/dbraw/zinc/99/66/66/598996666.db2.gz SRUMMSLBARNLRS-UHFFFAOYSA-N -1 3 358.423 3.066 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)Oc1ccc(C(C)C)cc1 ZINC000737226272 598996668 /nfs/dbraw/zinc/99/66/68/598996668.db2.gz SRUMMSLBARNLRS-UHFFFAOYSA-N -1 3 358.423 3.066 20 0 FGADHM C[C@H](CCC1CCCCC1)NC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000735984384 599008056 /nfs/dbraw/zinc/00/80/56/599008056.db2.gz DFMTZJZPBISIOL-CQSZACIVSA-N -1 3 357.458 3.111 20 0 FGADHM C[C@H](CCC1CCCCC1)NC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000735984384 599008058 /nfs/dbraw/zinc/00/80/58/599008058.db2.gz DFMTZJZPBISIOL-CQSZACIVSA-N -1 3 357.458 3.111 20 0 FGADHM C[C@@H](CCC1CCCCC1)NC(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000735985973 599008215 /nfs/dbraw/zinc/00/82/15/599008215.db2.gz OMRHDSHWBHXPFL-AWEZNQCLSA-N -1 3 357.458 3.111 20 0 FGADHM C[C@@H](CCC1CCCCC1)NC(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000735985973 599008217 /nfs/dbraw/zinc/00/82/17/599008217.db2.gz OMRHDSHWBHXPFL-AWEZNQCLSA-N -1 3 357.458 3.111 20 0 FGADHM Cc1cccnc1[C@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)C(C)C ZINC000737436338 599009438 /nfs/dbraw/zinc/00/94/38/599009438.db2.gz RMSFOTDWXAQGTO-DOJUMQAQSA-N -1 3 362.437 3.097 20 0 FGADHM Cc1cccnc1[C@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)C(C)C ZINC000737436338 599009439 /nfs/dbraw/zinc/00/94/39/599009439.db2.gz RMSFOTDWXAQGTO-DOJUMQAQSA-N -1 3 362.437 3.097 20 0 FGADHM CC(C)c1ccc(S[C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735929002 599012710 /nfs/dbraw/zinc/01/27/10/599012710.db2.gz VKRHWVYDVQDVDN-MRXNPFEDSA-N -1 3 353.451 3.309 20 0 FGADHM CC(C)c1ccc(S[C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735929002 599012712 /nfs/dbraw/zinc/01/27/12/599012712.db2.gz VKRHWVYDVQDVDN-MRXNPFEDSA-N -1 3 353.451 3.309 20 0 FGADHM C[C@@H]1CCC[C@@H](CCNC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736253261 599016937 /nfs/dbraw/zinc/01/69/37/599016937.db2.gz UFPBBVIZXDCDLV-CABCVRRESA-N -1 3 373.526 3.433 20 0 FGADHM C[C@@H]1CCC[C@@H](CCNC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736253261 599016938 /nfs/dbraw/zinc/01/69/38/599016938.db2.gz UFPBBVIZXDCDLV-CABCVRRESA-N -1 3 373.526 3.433 20 0 FGADHM CCO[C@@H]1C[C@@H](OC(=O)C=Cc2ccccc2-c2nnn[n-]2)C12CCCC2 ZINC000736612292 599028068 /nfs/dbraw/zinc/02/80/68/599028068.db2.gz NFARGIGEZZSOFT-VEUZHWNKSA-N -1 3 368.437 3.161 20 0 FGADHM CCO[C@@H]1C[C@@H](OC(=O)C=Cc2ccccc2-c2nn[n-]n2)C12CCCC2 ZINC000736612292 599028070 /nfs/dbraw/zinc/02/80/70/599028070.db2.gz NFARGIGEZZSOFT-VEUZHWNKSA-N -1 3 368.437 3.161 20 0 FGADHM CCOCC(=O)N(Cc1ccccc1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000736607880 599029567 /nfs/dbraw/zinc/02/95/67/599029567.db2.gz BSGCTTBQUJUUNO-UHFFFAOYSA-N -1 3 371.828 3.090 20 0 FGADHM CCOCC(=O)N(Cc1ccccc1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000736607880 599029568 /nfs/dbraw/zinc/02/95/68/599029568.db2.gz BSGCTTBQUJUUNO-UHFFFAOYSA-N -1 3 371.828 3.090 20 0 FGADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)Cc2c[nH]c3c2cccc3C)s1 ZINC000736679243 599034338 /nfs/dbraw/zinc/03/43/38/599034338.db2.gz PHOBNURJZHBTKU-UHFFFAOYSA-N -1 3 366.450 3.462 20 0 FGADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)Cc2c[nH]c3c2cccc3C)s1 ZINC000736679243 599034340 /nfs/dbraw/zinc/03/43/40/599034340.db2.gz PHOBNURJZHBTKU-UHFFFAOYSA-N -1 3 366.450 3.462 20 0 FGADHM CCN(C(=O)CSc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000736504153 599063112 /nfs/dbraw/zinc/06/31/12/599063112.db2.gz AKSWLYWGMXRISV-UHFFFAOYSA-N -1 3 357.414 3.151 20 0 FGADHM CCN(C(=O)CSc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000736504153 599063115 /nfs/dbraw/zinc/06/31/15/599063115.db2.gz AKSWLYWGMXRISV-UHFFFAOYSA-N -1 3 357.414 3.151 20 0 FGADHM Cc1ccccc1O[C@@H](C)CNc1c(-c2nnn[n-]2)cnc2ccccc21 ZINC000822366790 599065695 /nfs/dbraw/zinc/06/56/95/599065695.db2.gz SPOHNTKFIQHQDQ-AWEZNQCLSA-N -1 3 360.421 3.025 20 0 FGADHM Cc1ccccc1O[C@@H](C)CNc1c(-c2nn[n-]n2)cnc2ccccc21 ZINC000822366790 599065697 /nfs/dbraw/zinc/06/56/97/599065697.db2.gz SPOHNTKFIQHQDQ-AWEZNQCLSA-N -1 3 360.421 3.025 20 0 FGADHM CCCn1cc(Nc2cc(C)c(-c3nnn[n-]3)c3nc4ccccc4n32)cn1 ZINC000821149367 599067794 /nfs/dbraw/zinc/06/77/94/599067794.db2.gz WYCQPFWRSOEEHL-UHFFFAOYSA-N -1 3 373.424 3.326 20 0 FGADHM CCCn1cc(Nc2cc(C)c(-c3nn[n-]n3)c3nc4ccccc4n32)cn1 ZINC000821149367 599067797 /nfs/dbraw/zinc/06/77/97/599067797.db2.gz WYCQPFWRSOEEHL-UHFFFAOYSA-N -1 3 373.424 3.326 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000737291101 599073332 /nfs/dbraw/zinc/07/33/32/599073332.db2.gz HXPFRYKFZAHBJP-JSGCOSHPSA-N -1 3 355.348 3.196 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000737291101 599073335 /nfs/dbraw/zinc/07/33/35/599073335.db2.gz HXPFRYKFZAHBJP-JSGCOSHPSA-N -1 3 355.348 3.196 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000738161540 599076708 /nfs/dbraw/zinc/07/67/08/599076708.db2.gz FIHXVYKBNSSGHR-PWSUYJOCSA-N -1 3 359.311 3.026 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000738161540 599076711 /nfs/dbraw/zinc/07/67/11/599076711.db2.gz FIHXVYKBNSSGHR-PWSUYJOCSA-N -1 3 359.311 3.026 20 0 FGADHM CC(C)(C)OC(=O)CCCCCNc1ncc(-c2nnn[n-]2)cc1Cl ZINC000819927996 599089797 /nfs/dbraw/zinc/08/97/97/599089797.db2.gz FPBMRKJRHVHYMN-UHFFFAOYSA-N -1 3 366.853 3.229 20 0 FGADHM CC(C)(C)OC(=O)CCCCCNc1ncc(-c2nn[n-]n2)cc1Cl ZINC000819927996 599089800 /nfs/dbraw/zinc/08/98/00/599089800.db2.gz FPBMRKJRHVHYMN-UHFFFAOYSA-N -1 3 366.853 3.229 20 0 FGADHM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)N[C@@H]1C[C@@H]1C1CCCCC1 ZINC000737931574 599096471 /nfs/dbraw/zinc/09/64/71/599096471.db2.gz IBOWPFGMGDXCMR-IAGOWNOFSA-N -1 3 371.510 3.185 20 0 FGADHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)N[C@@H]1C[C@@H]1C1CCCCC1 ZINC000737931574 599096474 /nfs/dbraw/zinc/09/64/74/599096474.db2.gz IBOWPFGMGDXCMR-IAGOWNOFSA-N -1 3 371.510 3.185 20 0 FGADHM CCO[C@@H]1C[C@@H](N(C)C(=O)c2cccc(-c3nnn[n-]3)c2)C12CCCCC2 ZINC000736616361 599097999 /nfs/dbraw/zinc/09/79/99/599097999.db2.gz NZFSXQXQBRJCDE-IAGOWNOFSA-N -1 3 369.469 3.067 20 0 FGADHM CCO[C@@H]1C[C@@H](N(C)C(=O)c2cccc(-c3nn[n-]n3)c2)C12CCCCC2 ZINC000736616361 599098002 /nfs/dbraw/zinc/09/80/02/599098002.db2.gz NZFSXQXQBRJCDE-IAGOWNOFSA-N -1 3 369.469 3.067 20 0 FGADHM CCS[C@H]1CC[C@@H](N(C)c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)C1 ZINC000821448862 599098181 /nfs/dbraw/zinc/09/81/81/599098181.db2.gz OTRHQBUGBQMIME-ZJUUUORDSA-N -1 3 372.420 3.391 20 0 FGADHM CCS[C@H]1CC[C@@H](N(C)c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)C1 ZINC000821448862 599098184 /nfs/dbraw/zinc/09/81/84/599098184.db2.gz OTRHQBUGBQMIME-ZJUUUORDSA-N -1 3 372.420 3.391 20 0 FGADHM Cc1cccc2c(=O)[nH]c(CSc3ccccc3-c3nnn[n-]3)nc12 ZINC000737410614 599110042 /nfs/dbraw/zinc/11/00/42/599110042.db2.gz VZVGRSVCMDBMJC-UHFFFAOYSA-N -1 3 350.407 3.116 20 0 FGADHM Cc1cccc2c(=O)[nH]c(CSc3ccccc3-c3nn[n-]n3)nc12 ZINC000737410614 599110044 /nfs/dbraw/zinc/11/00/44/599110044.db2.gz VZVGRSVCMDBMJC-UHFFFAOYSA-N -1 3 350.407 3.116 20 0 FGADHM CCCOC(=O)[C@H](C)Sc1nc(-c2ccccc2)ccc1-c1nnn[n-]1 ZINC000821127829 599127250 /nfs/dbraw/zinc/12/72/50/599127250.db2.gz LOONKECTAWWTDW-LBPRGKRZSA-N -1 3 369.450 3.363 20 0 FGADHM CCCOC(=O)[C@H](C)Sc1nc(-c2ccccc2)ccc1-c1nn[n-]n1 ZINC000821127829 599127252 /nfs/dbraw/zinc/12/72/52/599127252.db2.gz LOONKECTAWWTDW-LBPRGKRZSA-N -1 3 369.450 3.363 20 0 FGADHM C[C@H]1CN(Cc2ccc(F)cc2-c2nnn[n-]2)C[C@H](c2ccc(F)cc2)O1 ZINC000736288542 599141513 /nfs/dbraw/zinc/14/15/13/599141513.db2.gz IXQRBGGZGKAJFZ-KPZWWZAWSA-N -1 3 371.391 3.107 20 0 FGADHM C[C@H]1CN(Cc2ccc(F)cc2-c2nn[n-]n2)C[C@H](c2ccc(F)cc2)O1 ZINC000736288542 599141514 /nfs/dbraw/zinc/14/15/14/599141514.db2.gz IXQRBGGZGKAJFZ-KPZWWZAWSA-N -1 3 371.391 3.107 20 0 FGADHM O=C(C[C@H]1CCc2ccccc21)OCc1cn2ccccc2c1-c1nnn[n-]1 ZINC000737817505 599146299 /nfs/dbraw/zinc/14/62/99/599146299.db2.gz AWIUYTWWDWIAOJ-OAHLLOKOSA-N -1 3 373.416 3.283 20 0 FGADHM O=C(C[C@H]1CCc2ccccc21)OCc1cn2ccccc2c1-c1nn[n-]n1 ZINC000737817505 599146303 /nfs/dbraw/zinc/14/63/03/599146303.db2.gz AWIUYTWWDWIAOJ-OAHLLOKOSA-N -1 3 373.416 3.283 20 0 FGADHM O=C(/C=C\C1CC1)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000822924139 599154142 /nfs/dbraw/zinc/15/41/42/599154142.db2.gz YICRVXOMKPHVNF-TWGQIWQCSA-N -1 3 351.435 3.178 20 0 FGADHM c1cc(Oc2ccc(-c3nnn[n-]3)cc2)ccc1OC[C@@H]1CCCOC1 ZINC000823762085 607259204 /nfs/dbraw/zinc/25/92/04/607259204.db2.gz HWLFMQOWKJOXAW-CQSZACIVSA-N -1 3 352.394 3.464 20 0 FGADHM c1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1OC[C@@H]1CCCOC1 ZINC000823762085 607259205 /nfs/dbraw/zinc/25/92/05/607259205.db2.gz HWLFMQOWKJOXAW-CQSZACIVSA-N -1 3 352.394 3.464 20 0 FGADHM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)N1CCC[C@H]1c1ccco1 ZINC000737932861 599162667 /nfs/dbraw/zinc/16/26/67/599162667.db2.gz RISXYMMBMKBEJZ-HNNXBMFYSA-N -1 3 369.450 3.057 20 0 FGADHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)N1CCC[C@H]1c1ccco1 ZINC000737932861 599162670 /nfs/dbraw/zinc/16/26/70/599162670.db2.gz RISXYMMBMKBEJZ-HNNXBMFYSA-N -1 3 369.450 3.057 20 0 FGADHM CC[C@H](Cc1ccc(Cl)cc1)NC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736351312 599166376 /nfs/dbraw/zinc/16/63/76/599166376.db2.gz FIWRSNULEVAVCI-QGZVFWFLSA-N -1 3 369.856 3.200 20 0 FGADHM CC[C@H](Cc1ccc(Cl)cc1)NC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736351312 599166379 /nfs/dbraw/zinc/16/63/79/599166379.db2.gz FIWRSNULEVAVCI-QGZVFWFLSA-N -1 3 369.856 3.200 20 0 FGADHM Cc1ccc(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2F)cc1F ZINC000737358194 599169502 /nfs/dbraw/zinc/16/95/02/599169502.db2.gz ZGFVQSNQMCSEAD-UHFFFAOYSA-N -1 3 361.377 3.184 20 0 FGADHM Cc1ccc(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2F)cc1F ZINC000737358194 599169504 /nfs/dbraw/zinc/16/95/04/599169504.db2.gz ZGFVQSNQMCSEAD-UHFFFAOYSA-N -1 3 361.377 3.184 20 0 FGADHM C[C@H]1CCCC[C@@H]1N(C)C(=O)CSc1ccc(-c2nnn[n-]2)cc1F ZINC000736273198 599171292 /nfs/dbraw/zinc/17/12/92/599171292.db2.gz RCXLEDQSCJPUBB-FZMZJTMJSA-N -1 3 363.462 3.135 20 0 FGADHM C[C@H]1CCCC[C@@H]1N(C)C(=O)CSc1ccc(-c2nn[n-]n2)cc1F ZINC000736273198 599171293 /nfs/dbraw/zinc/17/12/93/599171293.db2.gz RCXLEDQSCJPUBB-FZMZJTMJSA-N -1 3 363.462 3.135 20 0 FGADHM Fc1cccc(N2CCC[C@@H](Nc3ccc(-c4nn[n-]n4)cc3F)C2)c1 ZINC000737659200 599171621 /nfs/dbraw/zinc/17/16/21/599171621.db2.gz AKAMIRGVURDORD-CQSZACIVSA-N -1 3 356.380 3.226 20 0 FGADHM O=C(CC/C=C/c1ccccc1)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822955458 599174245 /nfs/dbraw/zinc/17/42/45/599174245.db2.gz VXGLIJQBAYLYDF-XBXARRHUSA-N -1 3 351.385 3.116 20 0 FGADHM O=C(CC/C=C/c1ccccc1)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822955458 599174246 /nfs/dbraw/zinc/17/42/46/599174246.db2.gz VXGLIJQBAYLYDF-XBXARRHUSA-N -1 3 351.385 3.116 20 0 FGADHM Cc1ccc([C@@H]2CCCN2C(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000737329647 599183727 /nfs/dbraw/zinc/18/37/27/599183727.db2.gz HGCBOGGBAGPDBN-CJNGLKHVSA-N -1 3 366.425 3.376 20 0 FGADHM Cc1ccc([C@@H]2CCCN2C(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000737329647 599183730 /nfs/dbraw/zinc/18/37/30/599183730.db2.gz HGCBOGGBAGPDBN-CJNGLKHVSA-N -1 3 366.425 3.376 20 0 FGADHM Cc1ccccc1[C@H](C)CC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822345395 599184370 /nfs/dbraw/zinc/18/43/70/599184370.db2.gz HYJJEXUVAZEXRR-CYBMUJFWSA-N -1 3 353.401 3.124 20 0 FGADHM Cc1ccccc1[C@H](C)CC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822345395 599184372 /nfs/dbraw/zinc/18/43/72/599184372.db2.gz HYJJEXUVAZEXRR-CYBMUJFWSA-N -1 3 353.401 3.124 20 0 FGADHM C[C@@H](CC(=O)OCCOc1ccccc1-c1nnn[n-]1)c1cccc(F)c1 ZINC000735977317 599184749 /nfs/dbraw/zinc/18/47/49/599184749.db2.gz NNTKBSLPRCIXFG-ZDUSSCGKSA-N -1 3 370.384 3.122 20 0 FGADHM C[C@@H](CC(=O)OCCOc1ccccc1-c1nn[n-]n1)c1cccc(F)c1 ZINC000735977317 599184751 /nfs/dbraw/zinc/18/47/51/599184751.db2.gz NNTKBSLPRCIXFG-ZDUSSCGKSA-N -1 3 370.384 3.122 20 0 FGADHM Cc1ccncc1C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000737445545 599185525 /nfs/dbraw/zinc/18/55/25/599185525.db2.gz QYYYFWKAAWBKCS-UHFFFAOYSA-N -1 3 373.376 3.010 20 0 FGADHM Cc1ccncc1C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000737445545 599185527 /nfs/dbraw/zinc/18/55/27/599185527.db2.gz QYYYFWKAAWBKCS-UHFFFAOYSA-N -1 3 373.376 3.010 20 0 FGADHM C[C@H](NC(=O)c1cc2cccc(F)c2o1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736116485 599182261 /nfs/dbraw/zinc/18/22/61/599182261.db2.gz ATRJXZTVQYTXIZ-JTQLQIEISA-N -1 3 351.341 3.243 20 0 FGADHM C[C@H](NC(=O)c1cc2cccc(F)c2o1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736116485 599182262 /nfs/dbraw/zinc/18/22/62/599182262.db2.gz ATRJXZTVQYTXIZ-JTQLQIEISA-N -1 3 351.341 3.243 20 0 FGADHM Cc1ccccc1[C@@H](C)CC(=O)OCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000737419841 599186831 /nfs/dbraw/zinc/18/68/31/599186831.db2.gz FEYZQJNXCXSEPK-HNNXBMFYSA-N -1 3 366.421 3.291 20 0 FGADHM Cc1ccc2[nH]c(C(=O)Nc3ccc(F)c(-c4nnn[n-]4)c3)cc2c1C ZINC000737374149 599200660 /nfs/dbraw/zinc/20/06/60/599200660.db2.gz YAPUBHXAJFJPSF-UHFFFAOYSA-N -1 3 350.357 3.356 20 0 FGADHM Cc1ccc2[nH]c(C(=O)Nc3ccc(F)c(-c4nn[n-]n4)c3)cc2c1C ZINC000737374149 599200662 /nfs/dbraw/zinc/20/06/62/599200662.db2.gz YAPUBHXAJFJPSF-UHFFFAOYSA-N -1 3 350.357 3.356 20 0 FGADHM CC[C@H]1CCCN(C(=O)[C@@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)CC1 ZINC000736400143 599223873 /nfs/dbraw/zinc/22/38/73/599223873.db2.gz MJLQGYIQSSKCIV-YJBOKZPZSA-N -1 3 371.485 3.309 20 0 FGADHM CC[C@H]1CCCN(C(=O)[C@@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)CC1 ZINC000736400143 599223875 /nfs/dbraw/zinc/22/38/75/599223875.db2.gz MJLQGYIQSSKCIV-YJBOKZPZSA-N -1 3 371.485 3.309 20 0 FGADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1C2CCCC1CCC2 ZINC000735736870 599225965 /nfs/dbraw/zinc/22/59/65/599225965.db2.gz ZULGJQBXWWUQTK-JMLCCBQJSA-N -1 3 369.469 3.204 20 0 FGADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1C2CCCC1CCC2 ZINC000735736870 599225968 /nfs/dbraw/zinc/22/59/68/599225968.db2.gz ZULGJQBXWWUQTK-JMLCCBQJSA-N -1 3 369.469 3.204 20 0 FGADHM Cc1cc(F)ccc1N1CCC[C@H](Nc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737269336 599231487 /nfs/dbraw/zinc/23/14/87/599231487.db2.gz DKLVISAPEJWNIT-KRWDZBQOSA-N -1 3 352.417 3.395 20 0 FGADHM O=C(Nc1ccc(Cl)cc1Cl)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000823331835 607262506 /nfs/dbraw/zinc/26/25/06/607262506.db2.gz HQJQKCNCTFOXCP-UHFFFAOYSA-N -1 3 369.599 3.474 20 0 FGADHM O=C(Nc1ccc(Cl)cc1Cl)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000823331835 607262507 /nfs/dbraw/zinc/26/25/07/607262507.db2.gz HQJQKCNCTFOXCP-UHFFFAOYSA-N -1 3 369.599 3.474 20 0 FGADHM S=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CCC2(CCCC2)C1 ZINC000823731840 599232153 /nfs/dbraw/zinc/23/21/53/599232153.db2.gz FJUKNUCACUAERO-UHFFFAOYSA-N -1 3 362.890 3.483 20 0 FGADHM S=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CCC2(CCCC2)C1 ZINC000823731840 599232156 /nfs/dbraw/zinc/23/21/56/599232156.db2.gz FJUKNUCACUAERO-UHFFFAOYSA-N -1 3 362.890 3.483 20 0 FGADHM CCc1cccc2c1N(C(=O)c1ncc(-c3nnn[n-]3)cc1Cl)CCC2 ZINC000821491930 607263919 /nfs/dbraw/zinc/26/39/19/607263919.db2.gz CZUBRUNCEUZUTL-UHFFFAOYSA-N -1 3 368.828 3.071 20 0 FGADHM CCc1cccc2c1N(C(=O)c1ncc(-c3nn[n-]n3)cc1Cl)CCC2 ZINC000821491930 607263920 /nfs/dbraw/zinc/26/39/20/607263920.db2.gz CZUBRUNCEUZUTL-UHFFFAOYSA-N -1 3 368.828 3.071 20 0 FGADHM CCc1ccccc1NC(=S)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000821497249 599228537 /nfs/dbraw/zinc/22/85/37/599228537.db2.gz RIUVGBWXIFJSIX-UHFFFAOYSA-N -1 3 356.430 3.055 20 0 FGADHM CCc1ccccc1NC(=S)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000821497249 599228540 /nfs/dbraw/zinc/22/85/40/599228540.db2.gz RIUVGBWXIFJSIX-UHFFFAOYSA-N -1 3 356.430 3.055 20 0 FGADHM CS[C@H]1CC[C@H](NC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000821951279 599229138 /nfs/dbraw/zinc/22/91/38/599229138.db2.gz VVSSHAGYSZMUAW-WPRPVWTQSA-N -1 3 368.919 3.091 20 0 FGADHM CS[C@H]1CC[C@H](NC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000821951279 599229140 /nfs/dbraw/zinc/22/91/40/599229140.db2.gz VVSSHAGYSZMUAW-WPRPVWTQSA-N -1 3 368.919 3.091 20 0 FGADHM Cc1cc(C)c(NC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)c(C)c1 ZINC000822194406 599235940 /nfs/dbraw/zinc/23/59/40/599235940.db2.gz WGOUDBZMVNNEBS-UHFFFAOYSA-N -1 3 354.389 3.253 20 0 FGADHM Cc1cc(C)c(NC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)c(C)c1 ZINC000822194406 599235943 /nfs/dbraw/zinc/23/59/43/599235943.db2.gz WGOUDBZMVNNEBS-UHFFFAOYSA-N -1 3 354.389 3.253 20 0 FGADHM Cc1c(NC(=O)c2cncc(-c3ccccc3)c2)cccc1-c1nnn[n-]1 ZINC000822115373 607268096 /nfs/dbraw/zinc/26/80/96/607268096.db2.gz DOCDHCFTFLNPFY-UHFFFAOYSA-N -1 3 356.389 3.489 20 0 FGADHM Cc1c(NC(=O)c2cncc(-c3ccccc3)c2)cccc1-c1nn[n-]n1 ZINC000822115373 607268097 /nfs/dbraw/zinc/26/80/97/607268097.db2.gz DOCDHCFTFLNPFY-UHFFFAOYSA-N -1 3 356.389 3.489 20 0 FGADHM O=C(/C=C/C1CCCCC1)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000737796171 599247029 /nfs/dbraw/zinc/24/70/29/599247029.db2.gz MUXLQUFLSGZEAB-MDWZMJQESA-N -1 3 351.454 3.494 20 0 FGADHM O=C(/C=C/C1CCCCC1)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000737796171 599247031 /nfs/dbraw/zinc/24/70/31/599247031.db2.gz MUXLQUFLSGZEAB-MDWZMJQESA-N -1 3 351.454 3.494 20 0 FGADHM C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736235883 599249293 /nfs/dbraw/zinc/24/92/93/599249293.db2.gz PNTHMJUOBCKAQW-UGSOOPFHSA-N -1 3 365.412 3.158 20 0 FGADHM C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736235883 599249294 /nfs/dbraw/zinc/24/92/94/599249294.db2.gz PNTHMJUOBCKAQW-UGSOOPFHSA-N -1 3 365.412 3.158 20 0 FGADHM Cc1c(NC(=O)N(CCc2ccccc2)C2CC2)cccc1-c1nnn[n-]1 ZINC000822084304 607281254 /nfs/dbraw/zinc/28/12/54/607281254.db2.gz IGHIGVIDECKQDE-UHFFFAOYSA-N -1 3 362.437 3.414 20 0 FGADHM Cc1c(NC(=O)N(CCc2ccccc2)C2CC2)cccc1-c1nn[n-]n1 ZINC000822084304 607281255 /nfs/dbraw/zinc/28/12/55/607281255.db2.gz IGHIGVIDECKQDE-UHFFFAOYSA-N -1 3 362.437 3.414 20 0 FGADHM Cc1ccc(CCNC(=O)Nc2cccc(-c3nnn[n-]3)c2C)c(C)c1 ZINC000822236367 607281892 /nfs/dbraw/zinc/28/18/92/607281892.db2.gz WIFGNHJBXONDLH-UHFFFAOYSA-N -1 3 350.426 3.156 20 0 FGADHM Cc1ccc(CCNC(=O)Nc2cccc(-c3nn[n-]n3)c2C)c(C)c1 ZINC000822236367 607281893 /nfs/dbraw/zinc/28/18/93/607281893.db2.gz WIFGNHJBXONDLH-UHFFFAOYSA-N -1 3 350.426 3.156 20 0 FGADHM COc1ccccc1C(C)(C)NC(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821882998 607283168 /nfs/dbraw/zinc/28/31/68/607283168.db2.gz PNZYBLLQXHNMCN-UHFFFAOYSA-N -1 3 366.425 3.241 20 0 FGADHM COc1ccccc1C(C)(C)NC(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821882998 607283169 /nfs/dbraw/zinc/28/31/69/607283169.db2.gz PNZYBLLQXHNMCN-UHFFFAOYSA-N -1 3 366.425 3.241 20 0 FGADHM O=C([O-])Cc1ccccc1NC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000819618282 597342727 /nfs/dbraw/zinc/34/27/27/597342727.db2.gz SEFYEBGYKCLLMP-IBGZPJMESA-N -1 3 367.449 3.272 20 0 FGADHM Cc1c(NC(=O)N[C@@H](C)c2cc(F)ccc2F)cccc1-c1nnn[n-]1 ZINC000822091125 607284847 /nfs/dbraw/zinc/28/48/47/607284847.db2.gz OMNGGQIEBJWKHZ-JTQLQIEISA-N -1 3 358.352 3.336 20 0 FGADHM Cc1c(NC(=O)N[C@@H](C)c2cc(F)ccc2F)cccc1-c1nn[n-]n1 ZINC000822091125 607284848 /nfs/dbraw/zinc/28/48/48/607284848.db2.gz OMNGGQIEBJWKHZ-JTQLQIEISA-N -1 3 358.352 3.336 20 0 FGADHM CCS[C@H]1CCC[C@@H](NC(=O)Nc2cccc(-c3nnn[n-]3)c2C)C1 ZINC000821456633 607285357 /nfs/dbraw/zinc/28/53/57/607285357.db2.gz RIPXRWHDRHYXLU-OLZOCXBDSA-N -1 3 360.487 3.361 20 0 FGADHM CCS[C@H]1CCC[C@@H](NC(=O)Nc2cccc(-c3nn[n-]n3)c2C)C1 ZINC000821456633 607285358 /nfs/dbraw/zinc/28/53/58/607285358.db2.gz RIPXRWHDRHYXLU-OLZOCXBDSA-N -1 3 360.487 3.361 20 0 FGADHM CCOc1cccc(NC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000821430845 599257542 /nfs/dbraw/zinc/25/75/42/599257542.db2.gz GDLKUYAJEHAELH-GFCCVEGCSA-N -1 3 352.398 3.148 20 0 FGADHM CCOc1cccc(NC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000821430845 599257544 /nfs/dbraw/zinc/25/75/44/599257544.db2.gz GDLKUYAJEHAELH-GFCCVEGCSA-N -1 3 352.398 3.148 20 0 FGADHM Cc1ccccc1O[C@H](C)CNC(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000822361983 607291682 /nfs/dbraw/zinc/29/16/82/607291682.db2.gz MFFWHBCXVJXIPU-CYBMUJFWSA-N -1 3 366.425 3.073 20 0 FGADHM Cc1ccccc1O[C@H](C)CNC(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000822361983 607291683 /nfs/dbraw/zinc/29/16/83/607291683.db2.gz MFFWHBCXVJXIPU-CYBMUJFWSA-N -1 3 366.425 3.073 20 0 FGADHM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000820939262 607295384 /nfs/dbraw/zinc/29/53/84/607295384.db2.gz RZVSTXLKJYXQRD-MRRJBJDNSA-N -1 3 357.458 3.488 20 0 FGADHM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000820939262 607295385 /nfs/dbraw/zinc/29/53/85/607295385.db2.gz RZVSTXLKJYXQRD-MRRJBJDNSA-N -1 3 357.458 3.488 20 0 FGADHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(NCc3ccc(Cl)o3)c2c1 ZINC000737248864 599259794 /nfs/dbraw/zinc/25/97/94/599259794.db2.gz NPZJXYHLYHWJHE-UHFFFAOYSA-N -1 3 354.801 3.312 20 0 FGADHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(NCc3ccc(Cl)o3)c2c1 ZINC000737248864 599259796 /nfs/dbraw/zinc/25/97/96/599259796.db2.gz NPZJXYHLYHWJHE-UHFFFAOYSA-N -1 3 354.801 3.312 20 0 FGADHM O=C(/C=C/C1CCCCC1)Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737795750 599260539 /nfs/dbraw/zinc/26/05/39/599260539.db2.gz LLUBVANMTACSHF-IZZDOVSWSA-N -1 3 363.425 3.127 20 0 FGADHM c1cn(C2CCCC2)nc1CNc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000823792251 607307550 /nfs/dbraw/zinc/30/75/50/607307550.db2.gz QRVFTCGFALPFRT-UHFFFAOYSA-N -1 3 360.425 3.339 20 0 FGADHM c1cn(C2CCCC2)nc1CNc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000823792251 607307551 /nfs/dbraw/zinc/30/75/51/607307551.db2.gz QRVFTCGFALPFRT-UHFFFAOYSA-N -1 3 360.425 3.339 20 0 FGADHM COc1ccc(CNc2ccc(-c3csnn3)cc2)cc1-c1nnn[n-]1 ZINC000821821632 607312390 /nfs/dbraw/zinc/31/23/90/607312390.db2.gz OGAMEDXOMHQOJM-UHFFFAOYSA-N -1 3 365.422 3.006 20 0 FGADHM COc1ccc(CNc2ccc(-c3csnn3)cc2)cc1-c1nn[n-]n1 ZINC000821821632 607312391 /nfs/dbraw/zinc/31/23/91/607312391.db2.gz OGAMEDXOMHQOJM-UHFFFAOYSA-N -1 3 365.422 3.006 20 0 FGADHM O=C(c1cccc(NCc2ccc(-c3nnn[n-]3)s2)c1)N1CCCCC1 ZINC000823493697 607313559 /nfs/dbraw/zinc/31/35/59/607313559.db2.gz SKQBHPSGGIMKMY-UHFFFAOYSA-N -1 3 368.466 3.166 20 0 FGADHM FC(F)(F)c1cc(N(Cc2ccccn2)C2CC2)ccc1-c1nnn[n-]1 ZINC000822723293 607303940 /nfs/dbraw/zinc/30/39/40/607303940.db2.gz CUJPOGIYOXUQNZ-UHFFFAOYSA-N -1 3 360.343 3.450 20 0 FGADHM FC(F)(F)c1cc(N(Cc2ccccn2)C2CC2)ccc1-c1nn[n-]n1 ZINC000822723293 607303941 /nfs/dbraw/zinc/30/39/41/607303941.db2.gz CUJPOGIYOXUQNZ-UHFFFAOYSA-N -1 3 360.343 3.450 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)c1c(F)c(F)nc(F)c1F ZINC000821104772 607305137 /nfs/dbraw/zinc/30/51/37/607305137.db2.gz QAKKGSDTNSCOFV-UHFFFAOYSA-N -1 3 366.322 3.235 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)c1c(F)c(F)nc(F)c1F ZINC000821104772 607305138 /nfs/dbraw/zinc/30/51/38/607305138.db2.gz QAKKGSDTNSCOFV-UHFFFAOYSA-N -1 3 366.322 3.235 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC2(C1)CCCCC2 ZINC000821406173 599267222 /nfs/dbraw/zinc/26/72/22/599267222.db2.gz BCZGXPGQCQJQGX-UHFFFAOYSA-N -1 3 370.457 3.454 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC2(C1)CCCCC2 ZINC000821406173 599267224 /nfs/dbraw/zinc/26/72/24/599267224.db2.gz BCZGXPGQCQJQGX-UHFFFAOYSA-N -1 3 370.457 3.454 20 0 FGADHM Cc1cccc(O[C@H](C)CNC(=O)Nc2cc(-c3nnn[n-]3)ccc2C)c1 ZINC000822327386 599270890 /nfs/dbraw/zinc/27/08/90/599270890.db2.gz HJUHGWOMWWOCFG-CQSZACIVSA-N -1 3 366.425 3.073 20 0 FGADHM Cc1cccc(O[C@H](C)CNC(=O)Nc2cc(-c3nn[n-]n3)ccc2C)c1 ZINC000822327386 599270892 /nfs/dbraw/zinc/27/08/92/599270892.db2.gz HJUHGWOMWWOCFG-CQSZACIVSA-N -1 3 366.425 3.073 20 0 FGADHM CCO[C@@H]1C[C@@H](NC(=O)Nc2cc(-c3nnn[n-]3)ccc2C)C12CCCC2 ZINC000821361154 599272120 /nfs/dbraw/zinc/27/21/20/599272120.db2.gz TUKIZHOGKWPOBB-HZPDHXFCSA-N -1 3 370.457 3.034 20 0 FGADHM CCO[C@@H]1C[C@@H](NC(=O)Nc2cc(-c3nn[n-]n3)ccc2C)C12CCCC2 ZINC000821361154 599272121 /nfs/dbraw/zinc/27/21/21/599272121.db2.gz TUKIZHOGKWPOBB-HZPDHXFCSA-N -1 3 370.457 3.034 20 0 FGADHM Cc1cnn(-c2ccc(NCc3ccc(-c4nnn[n-]4)s3)cc2F)c1 ZINC000822403493 607317997 /nfs/dbraw/zinc/31/79/97/607317997.db2.gz POTVZHOUJUUAAK-UHFFFAOYSA-N -1 3 355.402 3.174 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N[C@@H]1CSc2ccccc21 ZINC000738151415 599279448 /nfs/dbraw/zinc/27/94/48/599279448.db2.gz IDUYQVJZSHYCAE-CYBMUJFWSA-N -1 3 372.841 3.489 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N[C@@H]1CSc2ccccc21 ZINC000738151415 599279451 /nfs/dbraw/zinc/27/94/51/599279451.db2.gz IDUYQVJZSHYCAE-CYBMUJFWSA-N -1 3 372.841 3.489 20 0 FGADHM Cc1cc(-c2nn[n-]n2)cc(C)c1OCC(=O)N(CC(C)C)CC(C)C ZINC000737221352 599282986 /nfs/dbraw/zinc/28/29/86/599282986.db2.gz JWFHXMXAJRIEKJ-UHFFFAOYSA-N -1 3 359.474 3.003 20 0 FGADHM CSCCCCNC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000821962938 599287274 /nfs/dbraw/zinc/28/72/74/599287274.db2.gz ZDGKOMVRKSUSGZ-UHFFFAOYSA-N -1 3 374.392 3.150 20 0 FGADHM CSCCCCNC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821962938 599287276 /nfs/dbraw/zinc/28/72/76/599287276.db2.gz ZDGKOMVRKSUSGZ-UHFFFAOYSA-N -1 3 374.392 3.150 20 0 FGADHM CC(C)[C@@H](C)CNC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820016976 599288340 /nfs/dbraw/zinc/28/83/40/599288340.db2.gz RPXQNDBIVGEJNE-VIFPVBQESA-N -1 3 356.352 3.299 20 0 FGADHM CC(C)[C@@H](C)CNC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820016976 599288341 /nfs/dbraw/zinc/28/83/41/599288341.db2.gz RPXQNDBIVGEJNE-VIFPVBQESA-N -1 3 356.352 3.299 20 0 FGADHM CCCc1c(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)[nH]c(C)c1C(C)=O ZINC000821138572 607321797 /nfs/dbraw/zinc/32/17/97/607321797.db2.gz BSERAHSMBNQADO-UHFFFAOYSA-N -1 3 366.425 3.219 20 0 FGADHM CCCc1c(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)[nH]c(C)c1C(C)=O ZINC000821138572 607321798 /nfs/dbraw/zinc/32/17/98/607321798.db2.gz BSERAHSMBNQADO-UHFFFAOYSA-N -1 3 366.425 3.219 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)OCc1cc(-c2ccccc2)n[nH]1 ZINC000822936101 607323603 /nfs/dbraw/zinc/32/36/03/607323603.db2.gz RVUREAWBOBDKQF-KHPPLWFESA-N -1 3 372.388 3.013 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)OCc1cc(-c2ccccc2)n[nH]1 ZINC000822936101 607323604 /nfs/dbraw/zinc/32/36/04/607323604.db2.gz RVUREAWBOBDKQF-KHPPLWFESA-N -1 3 372.388 3.013 20 0 FGADHM CCC[C@@](C)(O)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821007977 607323935 /nfs/dbraw/zinc/32/39/35/607323935.db2.gz FZUHYTOGLVUUKT-LJQANCHMSA-N -1 3 367.409 3.149 20 0 FGADHM CCC[C@@](C)(O)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821007977 607323936 /nfs/dbraw/zinc/32/39/36/607323936.db2.gz FZUHYTOGLVUUKT-LJQANCHMSA-N -1 3 367.409 3.149 20 0 FGADHM CCC(CC)n1ccc(CSc2nc(C)nc(C)c2-c2nnn[n-]2)n1 ZINC000820903731 607326344 /nfs/dbraw/zinc/32/63/44/607326344.db2.gz XBBFNKOHZQDGIY-UHFFFAOYSA-N -1 3 358.475 3.123 20 0 FGADHM COc1cc(CNCc2cccc(C(=O)[O-])c2)cc(Br)c1O ZINC000683176672 598194446 /nfs/dbraw/zinc/19/44/46/598194446.db2.gz NUYSVJJOPKONPD-UHFFFAOYSA-N -1 3 366.211 3.151 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1NCc1cc(Br)cs1 ZINC000737645429 598239468 /nfs/dbraw/zinc/23/94/68/598239468.db2.gz XYIYASMXCOGGNY-UHFFFAOYSA-N -1 3 354.208 3.442 20 0 FGADHM CSc1nc2ncnc(N[C@H](C)c3ccc(-c4nnn[n-]4)cc3)c2s1 ZINC000737189183 598241651 /nfs/dbraw/zinc/24/16/51/598241651.db2.gz LBWHIGXKWKJCEN-MRVPVSSYSA-N -1 3 370.467 3.161 20 0 FGADHM CSc1nc2ncnc(N[C@H](C)c3ccc(-c4nn[n-]n4)cc3)c2s1 ZINC000737189183 598241652 /nfs/dbraw/zinc/24/16/52/598241652.db2.gz LBWHIGXKWKJCEN-MRVPVSSYSA-N -1 3 370.467 3.161 20 0 FGADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cc1F)c1cccc(N2CCCC2=O)c1 ZINC000736140010 598241851 /nfs/dbraw/zinc/24/18/51/598241851.db2.gz SYIVWNZJMZPHJQ-GFCCVEGCSA-N -1 3 366.400 3.306 20 0 FGADHM Cc1nc([C@H]2CCCN(c3cccc(F)c3-c3nnn[n-]3)C2)sc1C ZINC000737474707 598244135 /nfs/dbraw/zinc/24/41/35/598244135.db2.gz QUXSGLGBCZYZBB-LBPRGKRZSA-N -1 3 358.446 3.463 20 0 FGADHM Cc1nc([C@H]2CCCN(c3cccc(F)c3-c3nn[n-]n3)C2)sc1C ZINC000737474707 598244136 /nfs/dbraw/zinc/24/41/36/598244136.db2.gz QUXSGLGBCZYZBB-LBPRGKRZSA-N -1 3 358.446 3.463 20 0 FGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)NCc1ccc(Cl)cc1 ZINC000735660585 598275989 /nfs/dbraw/zinc/27/59/89/598275989.db2.gz DMWNXIVFMAMWJO-UHFFFAOYSA-N -1 3 373.848 3.398 20 0 FGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)NCc1ccc(Cl)cc1 ZINC000735660585 598275990 /nfs/dbraw/zinc/27/59/90/598275990.db2.gz DMWNXIVFMAMWJO-UHFFFAOYSA-N -1 3 373.848 3.398 20 0 FGADHM Cc1cccc(OC(F)F)c1NC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000737402375 598277055 /nfs/dbraw/zinc/27/70/55/598277055.db2.gz VEGOJQUTCYHLRM-UHFFFAOYSA-N -1 3 374.351 3.098 20 0 FGADHM Cc1cccc(OC(F)F)c1NC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000737402375 598277057 /nfs/dbraw/zinc/27/70/57/598277057.db2.gz VEGOJQUTCYHLRM-UHFFFAOYSA-N -1 3 374.351 3.098 20 0 FGADHM C[C@H](c1ccccn1)N(C)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736201767 598280944 /nfs/dbraw/zinc/28/09/44/598280944.db2.gz HSSAQUXDBXSZAK-GFCCVEGCSA-N -1 3 368.445 3.043 20 0 FGADHM C[C@H](c1ccccn1)N(C)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736201767 598280946 /nfs/dbraw/zinc/28/09/46/598280946.db2.gz HSSAQUXDBXSZAK-GFCCVEGCSA-N -1 3 368.445 3.043 20 0 FGADHM Cc1cc(Oc2ccc(-c3nnn[n-]3)cc2)ccc1NC(=O)C(F)(F)F ZINC000737281415 598286792 /nfs/dbraw/zinc/28/67/92/598286792.db2.gz XYHLVNJNHYYATD-UHFFFAOYSA-N -1 3 363.299 3.468 20 0 FGADHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1NC(=O)C(F)(F)F ZINC000737281415 598286794 /nfs/dbraw/zinc/28/67/94/598286794.db2.gz XYHLVNJNHYYATD-UHFFFAOYSA-N -1 3 363.299 3.468 20 0 FGADHM Cc1cc(C)c(C=CC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1C ZINC000737247229 598301897 /nfs/dbraw/zinc/30/18/97/598301897.db2.gz SWMCXFNVKKXDBG-SREVYHEPSA-N -1 3 365.412 3.261 20 0 FGADHM Cc1cc(C)c(C=CC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1C ZINC000737247229 598301899 /nfs/dbraw/zinc/30/18/99/598301899.db2.gz SWMCXFNVKKXDBG-SREVYHEPSA-N -1 3 365.412 3.261 20 0 FGADHM Cc1cc2[nH]c(C(=O)NCc3ccc(-c4nnn[n-]4)cc3F)cc2c(C)c1 ZINC000737249447 598309018 /nfs/dbraw/zinc/30/90/18/598309018.db2.gz ZUHRWSZEQCISQJ-UHFFFAOYSA-N -1 3 364.384 3.034 20 0 FGADHM Cc1cc2[nH]c(C(=O)NCc3ccc(-c4nn[n-]n4)cc3F)cc2c(C)c1 ZINC000737249447 598309020 /nfs/dbraw/zinc/30/90/20/598309020.db2.gz ZUHRWSZEQCISQJ-UHFFFAOYSA-N -1 3 364.384 3.034 20 0 FGADHM CN(C(=O)c1cc2ccccc2s1)c1ccc(-c2nnn[n-]2)cc1F ZINC000736750481 598310031 /nfs/dbraw/zinc/31/00/31/598310031.db2.gz YRSKHDRMTAUCSQ-UHFFFAOYSA-N -1 3 353.382 3.497 20 0 FGADHM CN(C(=O)c1cc2ccccc2s1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736750481 598310034 /nfs/dbraw/zinc/31/00/34/598310034.db2.gz YRSKHDRMTAUCSQ-UHFFFAOYSA-N -1 3 353.382 3.497 20 0 FGADHM COc1ccccc1CNC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737151215 598317925 /nfs/dbraw/zinc/31/79/25/598317925.db2.gz DKZDVYGAVIDPOB-UHFFFAOYSA-N -1 3 374.857 3.015 20 0 FGADHM COc1ccccc1CNC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737151215 598317928 /nfs/dbraw/zinc/31/79/28/598317928.db2.gz DKZDVYGAVIDPOB-UHFFFAOYSA-N -1 3 374.857 3.015 20 0 FGADHM S=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N[C@@H]1CCCc2occc21 ZINC000738409552 598321223 /nfs/dbraw/zinc/32/12/23/598321223.db2.gz RQCYYBGHAIHKCY-CYBMUJFWSA-N -1 3 374.857 3.477 20 0 FGADHM S=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N[C@@H]1CCCc2occc21 ZINC000738409552 598321225 /nfs/dbraw/zinc/32/12/25/598321225.db2.gz RQCYYBGHAIHKCY-CYBMUJFWSA-N -1 3 374.857 3.477 20 0 FGADHM CSc1ccccc1NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737193164 598321979 /nfs/dbraw/zinc/32/19/79/598321979.db2.gz YJMXSUPUIGTTTG-UHFFFAOYSA-N -1 3 358.402 3.049 20 0 FGADHM CSc1ccccc1NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737193164 598321981 /nfs/dbraw/zinc/32/19/81/598321981.db2.gz YJMXSUPUIGTTTG-UHFFFAOYSA-N -1 3 358.402 3.049 20 0 FGADHM C[C@@H]1CCCN(C(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000736266735 598324077 /nfs/dbraw/zinc/32/40/77/598324077.db2.gz ORVDRYOHIDULKK-SNVBAGLBSA-N -1 3 350.879 3.339 20 0 FGADHM C[C@@H]1CCCN(C(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000736266735 598324079 /nfs/dbraw/zinc/32/40/79/598324079.db2.gz ORVDRYOHIDULKK-SNVBAGLBSA-N -1 3 350.879 3.339 20 0 FGADHM Cc1cccc(OC(F)F)c1NC(=O)c1sccc1-c1nnn[n-]1 ZINC000737402817 598328812 /nfs/dbraw/zinc/32/88/12/598328812.db2.gz ZWKCJVSKKDPJFE-UHFFFAOYSA-N -1 3 351.338 3.090 20 0 FGADHM Cc1cccc(OC(F)F)c1NC(=O)c1sccc1-c1nn[n-]n1 ZINC000737402817 598328814 /nfs/dbraw/zinc/32/88/14/598328814.db2.gz ZWKCJVSKKDPJFE-UHFFFAOYSA-N -1 3 351.338 3.090 20 0 FGADHM CC1(C(=O)Oc2ccc(-c3ccc(-c4nnn[n-]4)cc3)cc2)CCOCC1 ZINC000736207373 598364552 /nfs/dbraw/zinc/36/45/52/598364552.db2.gz RRUYHHYQDIFSGM-UHFFFAOYSA-N -1 3 364.405 3.256 20 0 FGADHM CC1(C(=O)Oc2ccc(-c3ccc(-c4nn[n-]n4)cc3)cc2)CCOCC1 ZINC000736207373 598364553 /nfs/dbraw/zinc/36/45/53/598364553.db2.gz RRUYHHYQDIFSGM-UHFFFAOYSA-N -1 3 364.405 3.256 20 0 FGADHM C[C@@H](NC(=O)C[C@H](C)c1ccccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000735977974 598364752 /nfs/dbraw/zinc/36/47/52/598364752.db2.gz XUKKINFPMAXZRP-QWHCGFSZSA-N -1 3 353.401 3.377 20 0 FGADHM C[C@@H](NC(=O)C[C@H](C)c1ccccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000735977974 598364754 /nfs/dbraw/zinc/36/47/54/598364754.db2.gz XUKKINFPMAXZRP-QWHCGFSZSA-N -1 3 353.401 3.377 20 0 FGADHM C[C@@H](CC(=O)OCc1cc(-c2nnn[n-]2)ccc1F)c1ccccc1F ZINC000735977935 598371056 /nfs/dbraw/zinc/37/10/56/598371056.db2.gz SGDTUBAPRYYTPZ-NSHDSACASA-N -1 3 358.348 3.382 20 0 FGADHM C[C@@H](CC(=O)OCc1cc(-c2nn[n-]n2)ccc1F)c1ccccc1F ZINC000735977935 598371058 /nfs/dbraw/zinc/37/10/58/598371058.db2.gz SGDTUBAPRYYTPZ-NSHDSACASA-N -1 3 358.348 3.382 20 0 FGADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1)[C@H](OC1CCCC1)c1ccccc1 ZINC000738250992 598380483 /nfs/dbraw/zinc/38/04/83/598380483.db2.gz KARWVJMWHAVHRC-GOSISDBHSA-N -1 3 364.405 3.473 20 0 FGADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1)[C@H](OC1CCCC1)c1ccccc1 ZINC000738250992 598380485 /nfs/dbraw/zinc/38/04/85/598380485.db2.gz KARWVJMWHAVHRC-GOSISDBHSA-N -1 3 364.405 3.473 20 0 FGADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1)[C@@H](OC1CCCC1)c1ccccc1 ZINC000738250993 598380941 /nfs/dbraw/zinc/38/09/41/598380941.db2.gz KARWVJMWHAVHRC-SFHVURJKSA-N -1 3 364.405 3.473 20 0 FGADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1)[C@@H](OC1CCCC1)c1ccccc1 ZINC000738250993 598380943 /nfs/dbraw/zinc/38/09/43/598380943.db2.gz KARWVJMWHAVHRC-SFHVURJKSA-N -1 3 364.405 3.473 20 0 FGADHM CN(C(=O)CNc1ccc(-c2nn[n-]n2)cc1)c1ccc(C(C)(C)C)cc1 ZINC000736733089 598382829 /nfs/dbraw/zinc/38/28/29/598382829.db2.gz LAYIWBDBXLDFKC-UHFFFAOYSA-N -1 3 364.453 3.239 20 0 FGADHM CSc1nc(C2CC2)cc(C(=O)N2CCC(C)(C)CC2)c1-c1nnn[n-]1 ZINC000737190715 598385228 /nfs/dbraw/zinc/38/52/28/598385228.db2.gz ZZGLJCHCEHKYBZ-UHFFFAOYSA-N -1 3 372.498 3.123 20 0 FGADHM FC(F)Oc1ccc(CNc2ncc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000737638594 598387221 /nfs/dbraw/zinc/38/72/21/598387221.db2.gz GCQWZCFDLROPEH-UHFFFAOYSA-N -1 3 352.732 3.129 20 0 FGADHM FC(F)Oc1ccc(CNc2ncc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000737638594 598387222 /nfs/dbraw/zinc/38/72/22/598387222.db2.gz GCQWZCFDLROPEH-UHFFFAOYSA-N -1 3 352.732 3.129 20 0 FGADHM FC(F)(F)Oc1ccccc1CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC000737627355 598388402 /nfs/dbraw/zinc/38/84/02/598388402.db2.gz QEUBDIFWUSBDHM-UHFFFAOYSA-N -1 3 370.722 3.426 20 0 FGADHM FC(F)(F)Oc1ccccc1CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC000737627355 598388404 /nfs/dbraw/zinc/38/84/04/598388404.db2.gz QEUBDIFWUSBDHM-UHFFFAOYSA-N -1 3 370.722 3.426 20 0 FGADHM C[C@@H](NC(=O)N[C@H]1CCc2ccc(F)cc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000736112538 598390765 /nfs/dbraw/zinc/39/07/65/598390765.db2.gz JCTNDKKCLKWFFU-DIFFPNOSSA-N -1 3 366.400 3.054 20 0 FGADHM C[C@@H](NC(=O)N[C@H]1CCc2ccc(F)cc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000736112538 598390768 /nfs/dbraw/zinc/39/07/68/598390768.db2.gz JCTNDKKCLKWFFU-DIFFPNOSSA-N -1 3 366.400 3.054 20 0 FGADHM Cc1ccc2c(c1)[C@@H](NC(=O)N[C@@H](C)c1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000737371846 598391595 /nfs/dbraw/zinc/39/15/95/598391595.db2.gz NKRLUZCNWSUMIZ-UGSOOPFHSA-N -1 3 362.437 3.223 20 0 FGADHM Cc1ccc2c(c1)[C@@H](NC(=O)N[C@@H](C)c1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000737371846 598391597 /nfs/dbraw/zinc/39/15/97/598391597.db2.gz NKRLUZCNWSUMIZ-UGSOOPFHSA-N -1 3 362.437 3.223 20 0 FGADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)[C@H]2C[C@H]2c2cccc(OC)c2)s1 ZINC000736679061 598395538 /nfs/dbraw/zinc/39/55/38/598395538.db2.gz JSXAMZGEEOLDIP-KBPBESRZSA-N -1 3 369.450 3.241 20 0 FGADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)[C@H]2C[C@H]2c2cccc(OC)c2)s1 ZINC000736679061 598395540 /nfs/dbraw/zinc/39/55/40/598395540.db2.gz JSXAMZGEEOLDIP-KBPBESRZSA-N -1 3 369.450 3.241 20 0 FGADHM Cc1[nH]c2ccccc2c1CCNC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000737200487 598397509 /nfs/dbraw/zinc/39/75/09/598397509.db2.gz UXBAOMRDJQJTFY-UHFFFAOYSA-N -1 3 361.409 3.021 20 0 FGADHM Cc1[nH]c2ccccc2c1CCNC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000737200487 598397510 /nfs/dbraw/zinc/39/75/10/598397510.db2.gz UXBAOMRDJQJTFY-UHFFFAOYSA-N -1 3 361.409 3.021 20 0 FGADHM CCC(=O)c1cccc(NC(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC000820841596 607356025 /nfs/dbraw/zinc/35/60/25/607356025.db2.gz ALTVVCMSFNBWMQ-UHFFFAOYSA-N -1 3 364.409 3.123 20 0 FGADHM CCC(=O)c1cccc(NC(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC000820841596 607356027 /nfs/dbraw/zinc/35/60/27/607356027.db2.gz ALTVVCMSFNBWMQ-UHFFFAOYSA-N -1 3 364.409 3.123 20 0 FGADHM C[C@H](Sc1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1ccccc1Cl ZINC000736191285 598414200 /nfs/dbraw/zinc/41/42/00/598414200.db2.gz HXAGGNHGPHMAFJ-NSHDSACASA-N -1 3 373.869 3.317 20 0 FGADHM C[C@H](Sc1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1ccccc1Cl ZINC000736191285 598414202 /nfs/dbraw/zinc/41/42/02/598414202.db2.gz HXAGGNHGPHMAFJ-NSHDSACASA-N -1 3 373.869 3.317 20 0 FGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N1CC[C@@H](c2ccccc2F)C1 ZINC000738178897 598429395 /nfs/dbraw/zinc/42/93/95/598429395.db2.gz MTPAYXGUWHBZID-CYBMUJFWSA-N -1 3 352.373 3.027 20 0 FGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N1CC[C@@H](c2ccccc2F)C1 ZINC000738178897 598429396 /nfs/dbraw/zinc/42/93/96/598429396.db2.gz MTPAYXGUWHBZID-CYBMUJFWSA-N -1 3 352.373 3.027 20 0 FGADHM COc1ccccc1C[C@@H](C)CC(=O)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000737154068 598431438 /nfs/dbraw/zinc/43/14/38/598431438.db2.gz XNUGAQSIJWCUII-CQSZACIVSA-N -1 3 366.421 3.187 20 0 FGADHM COc1ccccc1C[C@@H](C)CC(=O)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000737154068 598431440 /nfs/dbraw/zinc/43/14/40/598431440.db2.gz XNUGAQSIJWCUII-CQSZACIVSA-N -1 3 366.421 3.187 20 0 FGADHM CSc1ccsc1C(=O)OCc1cn2ccccc2c1-c1nnn[n-]1 ZINC000737191572 598431745 /nfs/dbraw/zinc/43/17/45/598431745.db2.gz OWKVDMQXQCUSAK-UHFFFAOYSA-N -1 3 371.447 3.260 20 0 FGADHM CSc1ccsc1C(=O)OCc1cn2ccccc2c1-c1nn[n-]n1 ZINC000737191572 598431747 /nfs/dbraw/zinc/43/17/47/598431747.db2.gz OWKVDMQXQCUSAK-UHFFFAOYSA-N -1 3 371.447 3.260 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H](C)c1cc(C)cc(C)c1 ZINC000737064181 598431819 /nfs/dbraw/zinc/43/18/19/598431819.db2.gz VSBRPHRCZYMKCP-CYBMUJFWSA-N -1 3 366.425 3.375 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H](C)c1cc(C)cc(C)c1 ZINC000737064181 598431822 /nfs/dbraw/zinc/43/18/22/598431822.db2.gz VSBRPHRCZYMKCP-CYBMUJFWSA-N -1 3 366.425 3.375 20 0 FGADHM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)cn1)c1cc(Cl)ccc1Cl ZINC000736119337 598442561 /nfs/dbraw/zinc/44/25/61/598442561.db2.gz OBGUIKLTHTYYSK-QMMMGPOBSA-N -1 3 363.208 3.060 20 0 FGADHM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)cn1)c1cc(Cl)ccc1Cl ZINC000736119337 598442562 /nfs/dbraw/zinc/44/25/62/598442562.db2.gz OBGUIKLTHTYYSK-QMMMGPOBSA-N -1 3 363.208 3.060 20 0 FGADHM CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000736390711 598461553 /nfs/dbraw/zinc/46/15/53/598461553.db2.gz JKKUQIVUYNNICI-SJLPKXTDSA-N -1 3 362.437 3.060 20 0 FGADHM CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000736390711 598461555 /nfs/dbraw/zinc/46/15/55/598461555.db2.gz JKKUQIVUYNNICI-SJLPKXTDSA-N -1 3 362.437 3.060 20 0 FGADHM C[C@H](OC(=O)CCc1cc(F)ccc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000736150542 598483003 /nfs/dbraw/zinc/48/30/03/598483003.db2.gz OHZWGRQAPMNZBY-NSHDSACASA-N -1 3 358.348 3.382 20 0 FGADHM C[C@H](OC(=O)CCc1cc(F)ccc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000736150542 598483004 /nfs/dbraw/zinc/48/30/04/598483004.db2.gz OHZWGRQAPMNZBY-NSHDSACASA-N -1 3 358.348 3.382 20 0 FGADHM O=C(OCc1csc(C2CCCCC2)n1)c1ccc(-c2nnn[n-]2)cn1 ZINC000738245819 598483123 /nfs/dbraw/zinc/48/31/23/598483123.db2.gz XISFMGTZEWSGMT-UHFFFAOYSA-N -1 3 370.438 3.123 20 0 FGADHM O=C(OCc1csc(C2CCCCC2)n1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738245819 598483125 /nfs/dbraw/zinc/48/31/25/598483125.db2.gz XISFMGTZEWSGMT-UHFFFAOYSA-N -1 3 370.438 3.123 20 0 FGADHM Cc1nn(-c2ccccc2)cc1C(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000737508981 598483363 /nfs/dbraw/zinc/48/33/63/598483363.db2.gz JOXICPUSOHACKQ-CQSZACIVSA-N -1 3 374.404 3.279 20 0 FGADHM Cc1nn(-c2ccccc2)cc1C(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000737508981 598483364 /nfs/dbraw/zinc/48/33/64/598483364.db2.gz JOXICPUSOHACKQ-CQSZACIVSA-N -1 3 374.404 3.279 20 0 FGADHM CC[C@](C)(NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC)c1ccccc1 ZINC000736315956 598483930 /nfs/dbraw/zinc/48/39/30/598483930.db2.gz SQEOYJMIURHGDQ-IBGZPJMESA-N -1 3 366.425 3.322 20 0 FGADHM CC[C@](C)(NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC)c1ccccc1 ZINC000736315956 598483931 /nfs/dbraw/zinc/48/39/31/598483931.db2.gz SQEOYJMIURHGDQ-IBGZPJMESA-N -1 3 366.425 3.322 20 0 FGADHM CCc1c(C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)[nH]c(C)c1C(C)=O ZINC000736669350 598484969 /nfs/dbraw/zinc/48/49/69/598484969.db2.gz FNFGMVNKVBFRMU-LBPRGKRZSA-N -1 3 367.409 3.186 20 0 FGADHM CCc1c(C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)[nH]c(C)c1C(C)=O ZINC000736669350 598484971 /nfs/dbraw/zinc/48/49/71/598484971.db2.gz FNFGMVNKVBFRMU-LBPRGKRZSA-N -1 3 367.409 3.186 20 0 FGADHM Cc1cc(C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)nn1C(C)(C)C ZINC000737238799 598485360 /nfs/dbraw/zinc/48/53/60/598485360.db2.gz UIMMIMBDANLMKF-LBPRGKRZSA-N -1 3 354.414 3.045 20 0 FGADHM Cc1cc(C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)nn1C(C)(C)C ZINC000737238799 598485362 /nfs/dbraw/zinc/48/53/62/598485362.db2.gz UIMMIMBDANLMKF-LBPRGKRZSA-N -1 3 354.414 3.045 20 0 FGADHM Cc1ccnn1-c1ccc(C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737444538 598491525 /nfs/dbraw/zinc/49/15/25/598491525.db2.gz NCQCPOYPSIGJMA-AWEZNQCLSA-N -1 3 374.404 3.279 20 0 FGADHM Cc1ccnn1-c1ccc(C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737444538 598491526 /nfs/dbraw/zinc/49/15/26/598491526.db2.gz NCQCPOYPSIGJMA-AWEZNQCLSA-N -1 3 374.404 3.279 20 0 FGADHM COc1ccc(COCCOc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000737098232 598492696 /nfs/dbraw/zinc/49/26/96/598492696.db2.gz RTEGCYXESMXYBG-UHFFFAOYSA-N -1 3 360.801 3.124 20 0 FGADHM COc1ccc(COCCOc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000737098232 598492697 /nfs/dbraw/zinc/49/26/97/598492697.db2.gz RTEGCYXESMXYBG-UHFFFAOYSA-N -1 3 360.801 3.124 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C[C@@H]1CCCc2ccccc21 ZINC000737056365 598494983 /nfs/dbraw/zinc/49/49/83/598494983.db2.gz DBZBSJLBPMLZMZ-AWEZNQCLSA-N -1 3 363.421 3.324 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C[C@@H]1CCCc2ccccc21 ZINC000737056365 598494984 /nfs/dbraw/zinc/49/49/84/598494984.db2.gz DBZBSJLBPMLZMZ-AWEZNQCLSA-N -1 3 363.421 3.324 20 0 FGADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1F)c1csc(-c2ccoc2)n1 ZINC000738231492 598513664 /nfs/dbraw/zinc/51/36/64/598513664.db2.gz NHKDRVDUPDJWBQ-UHFFFAOYSA-N -1 3 371.353 3.079 20 0 FGADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1F)c1csc(-c2ccoc2)n1 ZINC000738231492 598513665 /nfs/dbraw/zinc/51/36/65/598513665.db2.gz NHKDRVDUPDJWBQ-UHFFFAOYSA-N -1 3 371.353 3.079 20 0 FGADHM CCCC[C@H]1CCC[C@H]1NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC000736440771 598534666 /nfs/dbraw/zinc/53/46/66/598534666.db2.gz GXPGEEOEJLCIRI-GXTWGEPZSA-N -1 3 358.446 3.356 20 0 FGADHM CCCC[C@H]1CCC[C@H]1NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC000736440771 598534669 /nfs/dbraw/zinc/53/46/69/598534669.db2.gz GXPGEEOEJLCIRI-GXTWGEPZSA-N -1 3 358.446 3.356 20 0 FGADHM CCCN(CCC)C(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000736472964 598539245 /nfs/dbraw/zinc/53/92/45/598539245.db2.gz DVZXSOOHTCJVAC-UHFFFAOYSA-N -1 3 369.425 3.301 20 0 FGADHM Cc1nn(C)c(Cl)c1[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1F ZINC000737510948 598544998 /nfs/dbraw/zinc/54/49/98/598544998.db2.gz HVOQWUYTGXGNKJ-CYBMUJFWSA-N -1 3 361.812 3.043 20 0 FGADHM O=C(CC1CCCCC1)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000737824484 598546829 /nfs/dbraw/zinc/54/68/29/598546829.db2.gz VPKPPWBTNWXXLJ-UHFFFAOYSA-N -1 3 351.357 3.377 20 0 FGADHM O=C(CC1CCCCC1)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000737824484 598546831 /nfs/dbraw/zinc/54/68/31/598546831.db2.gz VPKPPWBTNWXXLJ-UHFFFAOYSA-N -1 3 351.357 3.377 20 0 FGADHM Fc1cc(OCCOc2ccc(C(F)(F)F)cc2)ccc1-c1nnn[n-]1 ZINC000737651600 598550296 /nfs/dbraw/zinc/55/02/96/598550296.db2.gz LMHONRPCMVIUCZ-UHFFFAOYSA-N -1 3 368.290 3.482 20 0 FGADHM Fc1cc(OCCOc2ccc(C(F)(F)F)cc2)ccc1-c1nn[n-]n1 ZINC000737651600 598550297 /nfs/dbraw/zinc/55/02/97/598550297.db2.gz LMHONRPCMVIUCZ-UHFFFAOYSA-N -1 3 368.290 3.482 20 0 FGADHM Fc1cc(OCc2nnc(-c3cccc(Cl)c3)o2)ccc1-c1nnn[n-]1 ZINC000737651630 598550388 /nfs/dbraw/zinc/55/03/88/598550388.db2.gz LVWUEMFGLOGVPW-UHFFFAOYSA-N -1 3 372.747 3.288 20 0 FGADHM Fc1cc(OCc2nnc(-c3cccc(Cl)c3)o2)ccc1-c1nn[n-]n1 ZINC000737651630 598550389 /nfs/dbraw/zinc/55/03/89/598550389.db2.gz LVWUEMFGLOGVPW-UHFFFAOYSA-N -1 3 372.747 3.288 20 0 FGADHM C[C@@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2)c1ccccc1F ZINC000735570947 598551706 /nfs/dbraw/zinc/55/17/06/598551706.db2.gz QGOPACUKKXZTMX-SECBINFHSA-N -1 3 357.414 3.298 20 0 FGADHM C[C@@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2)c1ccccc1F ZINC000735570947 598551708 /nfs/dbraw/zinc/55/17/08/598551708.db2.gz QGOPACUKKXZTMX-SECBINFHSA-N -1 3 357.414 3.298 20 0 FGADHM CSC[C@@H](C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000737179826 598552160 /nfs/dbraw/zinc/55/21/60/598552160.db2.gz MTXRUPLGEFWFRS-SECBINFHSA-N -1 3 351.501 3.135 20 0 FGADHM CSC[C@@H](C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000737179826 598552161 /nfs/dbraw/zinc/55/21/61/598552161.db2.gz MTXRUPLGEFWFRS-SECBINFHSA-N -1 3 351.501 3.135 20 0 FGADHM CCOCCC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736611168 598552550 /nfs/dbraw/zinc/55/25/50/598552550.db2.gz NEKJLQHLWIBBRG-UHFFFAOYSA-N -1 3 353.382 3.024 20 0 FGADHM CCOCCC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736611168 598552552 /nfs/dbraw/zinc/55/25/52/598552552.db2.gz NEKJLQHLWIBBRG-UHFFFAOYSA-N -1 3 353.382 3.024 20 0 FGADHM CCO[C@H](CC)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736615205 598552762 /nfs/dbraw/zinc/55/27/62/598552762.db2.gz JBKLCYBUMHVLMO-QGZVFWFLSA-N -1 3 367.409 3.413 20 0 FGADHM CCO[C@H](CC)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736615205 598552764 /nfs/dbraw/zinc/55/27/64/598552764.db2.gz JBKLCYBUMHVLMO-QGZVFWFLSA-N -1 3 367.409 3.413 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1OCc1noc(-c2ccc(Cl)cc2)n1 ZINC000737220484 598566841 /nfs/dbraw/zinc/56/68/41/598566841.db2.gz AZLUVMNCYGNOMC-UHFFFAOYSA-N -1 3 368.784 3.458 20 0 FGADHM CCCN(CC)c1ccc(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000736472050 598583355 /nfs/dbraw/zinc/58/33/55/598583355.db2.gz SMZAFZKOELUIKO-UHFFFAOYSA-N -1 3 368.416 3.494 20 0 FGADHM CCCN(CC)c1ccc(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000736472050 598583356 /nfs/dbraw/zinc/58/33/56/598583356.db2.gz SMZAFZKOELUIKO-UHFFFAOYSA-N -1 3 368.416 3.494 20 0 FGADHM CCc1cccc2c(CC(=O)Nc3cc(-c4nnn[n-]4)ccc3C)c[nH]c21 ZINC000736694712 598586304 /nfs/dbraw/zinc/58/63/04/598586304.db2.gz AQRUJOPAZXOHLN-UHFFFAOYSA-N -1 3 360.421 3.400 20 0 FGADHM CCc1cccc2c(CC(=O)Nc3cc(-c4nn[n-]n4)ccc3C)c[nH]c21 ZINC000736694712 598586306 /nfs/dbraw/zinc/58/63/06/598586306.db2.gz AQRUJOPAZXOHLN-UHFFFAOYSA-N -1 3 360.421 3.400 20 0 FGADHM CC(C)N(C)c1cccc(NC(=O)CCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735859543 598587282 /nfs/dbraw/zinc/58/72/82/598587282.db2.gz WDBWUFBIOOEFNS-UHFFFAOYSA-N -1 3 364.453 3.283 20 0 FGADHM CC(C)N(C)c1cccc(NC(=O)CCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735859543 598587283 /nfs/dbraw/zinc/58/72/83/598587283.db2.gz WDBWUFBIOOEFNS-UHFFFAOYSA-N -1 3 364.453 3.283 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(Br)cc1 ZINC000738167767 598592567 /nfs/dbraw/zinc/59/25/67/598592567.db2.gz UWODPAOWEUPNLC-UHFFFAOYSA-N -1 3 362.162 3.021 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(Br)cc1 ZINC000738167767 598592569 /nfs/dbraw/zinc/59/25/69/598592569.db2.gz UWODPAOWEUPNLC-UHFFFAOYSA-N -1 3 362.162 3.021 20 0 FGADHM O=C(Cc1cccc(C(F)(F)F)c1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737966785 598592656 /nfs/dbraw/zinc/59/26/56/598592656.db2.gz FLKCVBVNSHJTGB-UHFFFAOYSA-N -1 3 365.290 3.206 20 0 FGADHM O=C(Cc1cccc(C(F)(F)F)c1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737966785 598592659 /nfs/dbraw/zinc/59/26/59/598592659.db2.gz FLKCVBVNSHJTGB-UHFFFAOYSA-N -1 3 365.290 3.206 20 0 FGADHM CCC[C@@H](NC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1)C1CCCCC1 ZINC000736425183 598593267 /nfs/dbraw/zinc/59/32/67/598593267.db2.gz DTRPCNDHHZJRPO-RDTXWAMCSA-N -1 3 371.485 3.499 20 0 FGADHM CCC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000736435530 598608378 /nfs/dbraw/zinc/60/83/78/598608378.db2.gz MOWYKICDRHQIOQ-CPUCHLNUSA-N -1 3 357.458 3.109 20 0 FGADHM CCC[C@H]1CCCC[C@@H]1NC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736434349 598617222 /nfs/dbraw/zinc/61/72/22/598617222.db2.gz DYUQJTXVTOJCTM-RDJZCZTQSA-N -1 3 356.474 3.367 20 0 FGADHM CCC[C@H]1CCCC[C@@H]1NC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736434349 598617223 /nfs/dbraw/zinc/61/72/23/598617223.db2.gz DYUQJTXVTOJCTM-RDJZCZTQSA-N -1 3 356.474 3.367 20 0 FGADHM Cc1occc1-c1nnc(SCc2ccc(F)cc2-c2nnn[n-]2)o1 ZINC000737551880 598643421 /nfs/dbraw/zinc/64/34/21/598643421.db2.gz KQQVPSSWLLPJCS-UHFFFAOYSA-N -1 3 358.358 3.250 20 0 FGADHM Cc1occc1-c1nnc(SCc2ccc(F)cc2-c2nn[n-]n2)o1 ZINC000737551880 598643423 /nfs/dbraw/zinc/64/34/23/598643423.db2.gz KQQVPSSWLLPJCS-UHFFFAOYSA-N -1 3 358.358 3.250 20 0 FGADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)OC[C@H]1CC=CCC1 ZINC000737842814 598645757 /nfs/dbraw/zinc/64/57/57/598645757.db2.gz WXIDZHLUGUPXIX-HNNXBMFYSA-N -1 3 356.426 3.315 20 0 FGADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)OC[C@H]1CC=CCC1 ZINC000737842814 598645759 /nfs/dbraw/zinc/64/57/59/598645759.db2.gz WXIDZHLUGUPXIX-HNNXBMFYSA-N -1 3 356.426 3.315 20 0 FGADHM CCN(C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000736503692 598647967 /nfs/dbraw/zinc/64/79/67/598647967.db2.gz ZTFYPVOIXJYTHA-UHFFFAOYSA-N -1 3 365.437 3.469 20 0 FGADHM CCN(C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000736503692 598647969 /nfs/dbraw/zinc/64/79/69/598647969.db2.gz ZTFYPVOIXJYTHA-UHFFFAOYSA-N -1 3 365.437 3.469 20 0 FGADHM CC(C)[C@H](C)NC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735707589 598648515 /nfs/dbraw/zinc/64/85/15/598648515.db2.gz JDTMGJZMFXKPPW-ZDUSSCGKSA-N -1 3 351.410 3.433 20 0 FGADHM CC(C)[C@H](C)NC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735707589 598648517 /nfs/dbraw/zinc/64/85/17/598648517.db2.gz JDTMGJZMFXKPPW-ZDUSSCGKSA-N -1 3 351.410 3.433 20 0 FGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)Nc1cccc(Cl)c1F ZINC000737948293 598649564 /nfs/dbraw/zinc/64/95/64/598649564.db2.gz SKIVFNDDZWJOFR-UHFFFAOYSA-N -1 3 363.805 3.390 20 0 FGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)Nc1cccc(Cl)c1F ZINC000737948293 598649566 /nfs/dbraw/zinc/64/95/66/598649566.db2.gz SKIVFNDDZWJOFR-UHFFFAOYSA-N -1 3 363.805 3.390 20 0 FGADHM C[C@H]1CCC[C@H](NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)C1 ZINC000736254466 598649812 /nfs/dbraw/zinc/64/98/12/598649812.db2.gz RVCCRTSKEUGUCY-HOCLYGCPSA-N -1 3 357.458 3.111 20 0 FGADHM C[C@H]1CCC[C@H](NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)C1 ZINC000736254466 598649813 /nfs/dbraw/zinc/64/98/13/598649813.db2.gz RVCCRTSKEUGUCY-HOCLYGCPSA-N -1 3 357.458 3.111 20 0 FGADHM CCN(Cc1ccc(C)cc1)C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736554904 598652258 /nfs/dbraw/zinc/65/22/58/598652258.db2.gz FAHRQGUCURXTPP-UHFFFAOYSA-N -1 3 367.478 3.316 20 0 FGADHM CCN(Cc1ccc(C)cc1)C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736554904 598652260 /nfs/dbraw/zinc/65/22/60/598652260.db2.gz FAHRQGUCURXTPP-UHFFFAOYSA-N -1 3 367.478 3.316 20 0 FGADHM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)c(Cl)c2)C[C@H](c2ccccc2)O1 ZINC000736289476 598657537 /nfs/dbraw/zinc/65/75/37/598657537.db2.gz MCDFUNXAVYDHOT-SJKOYZFVSA-N -1 3 355.829 3.487 20 0 FGADHM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)c(Cl)c2)C[C@H](c2ccccc2)O1 ZINC000736289476 598657539 /nfs/dbraw/zinc/65/75/39/598657539.db2.gz MCDFUNXAVYDHOT-SJKOYZFVSA-N -1 3 355.829 3.487 20 0 FGADHM C[C@@H](CN(C)C(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000735997156 598658259 /nfs/dbraw/zinc/65/82/59/598658259.db2.gz YMQLSZNCHDSCBV-AWEZNQCLSA-N -1 3 367.478 3.221 20 0 FGADHM C[C@@H](CN(C)C(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000735997156 598658261 /nfs/dbraw/zinc/65/82/61/598658261.db2.gz YMQLSZNCHDSCBV-AWEZNQCLSA-N -1 3 367.478 3.221 20 0 FGADHM CCC1(C)CCN(C(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736394197 598686251 /nfs/dbraw/zinc/68/62/51/598686251.db2.gz BHAIVADIFZEWRS-UHFFFAOYSA-N -1 3 371.485 3.455 20 0 FGADHM CCC1(C)CCN(C(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736394197 598686253 /nfs/dbraw/zinc/68/62/53/598686253.db2.gz BHAIVADIFZEWRS-UHFFFAOYSA-N -1 3 371.485 3.455 20 0 FGADHM C[C@H](SCc1ccccc1)C(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000736189858 598707290 /nfs/dbraw/zinc/70/72/90/598707290.db2.gz CQXHTPDAFYWEAF-LBPRGKRZSA-N -1 3 372.425 3.371 20 0 FGADHM C[C@H](SCc1ccccc1)C(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000736189858 598707292 /nfs/dbraw/zinc/70/72/92/598707292.db2.gz CQXHTPDAFYWEAF-LBPRGKRZSA-N -1 3 372.425 3.371 20 0 FGADHM Cc1nc2c(s1)[C@H](N(C)Cc1ccc(-c3nn[n-]n3)cc1F)CCC2 ZINC000737488590 598707909 /nfs/dbraw/zinc/70/79/09/598707909.db2.gz RNPAULQVMWOALP-OAHLLOKOSA-N -1 3 358.446 3.280 20 0 FGADHM Cc1nc2c(s1)[C@@H](N(C)C(=O)Nc1ccc(-c3nnn[n-]3)cc1)CCC2 ZINC000737487341 598715573 /nfs/dbraw/zinc/71/55/73/598715573.db2.gz HTRWEURWEBQXAU-AWEZNQCLSA-N -1 3 369.454 3.173 20 0 FGADHM Cc1nc2c(s1)[C@@H](N(C)C(=O)Nc1ccc(-c3nn[n-]n3)cc1)CCC2 ZINC000737487341 598715574 /nfs/dbraw/zinc/71/55/74/598715574.db2.gz HTRWEURWEBQXAU-AWEZNQCLSA-N -1 3 369.454 3.173 20 0 FGADHM CC[C@@H](Sc1ccccc1)C(=O)OCc1ccccc1-c1nnn[n-]1 ZINC000736393401 598735109 /nfs/dbraw/zinc/73/51/09/598735109.db2.gz YAYGQQPOHRFKBY-MRXNPFEDSA-N -1 3 354.435 3.481 20 0 FGADHM CC[C@@H](Sc1ccccc1)C(=O)OCc1ccccc1-c1nn[n-]n1 ZINC000736393401 598735111 /nfs/dbraw/zinc/73/51/11/598735111.db2.gz YAYGQQPOHRFKBY-MRXNPFEDSA-N -1 3 354.435 3.481 20 0 FGADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)Cc2c[nH]c3cccc(C)c23)s1 ZINC000736679480 598736220 /nfs/dbraw/zinc/73/62/20/598736220.db2.gz UVAIQAJBBJDRNY-UHFFFAOYSA-N -1 3 366.450 3.462 20 0 FGADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)Cc2c[nH]c3cccc(C)c23)s1 ZINC000736679480 598736221 /nfs/dbraw/zinc/73/62/21/598736221.db2.gz UVAIQAJBBJDRNY-UHFFFAOYSA-N -1 3 366.450 3.462 20 0 FGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1)c1ccc2[nH]c(C(F)F)nc2c1 ZINC000738232474 598740400 /nfs/dbraw/zinc/74/04/00/598740400.db2.gz JYJNOURZAQJXJX-UHFFFAOYSA-N -1 3 370.319 3.038 20 0 FGADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)O[C@H]1CCc2c1cccc2Cl ZINC000737955227 598740622 /nfs/dbraw/zinc/74/06/22/598740622.db2.gz BQAFDOSQBYMGGJ-INIZCTEOSA-N -1 3 354.797 3.293 20 0 FGADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)O[C@H]1CCc2c1cccc2Cl ZINC000737955227 598740623 /nfs/dbraw/zinc/74/06/23/598740623.db2.gz BQAFDOSQBYMGGJ-INIZCTEOSA-N -1 3 354.797 3.293 20 0 FGADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C[C@H]1CCc2ccccc2C1 ZINC000736812017 598741633 /nfs/dbraw/zinc/74/16/33/598741633.db2.gz AHGQBEPHZZXOCI-INIZCTEOSA-N -1 3 361.449 3.020 20 0 FGADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C[C@H]1CCc2ccccc2C1 ZINC000736812017 598741635 /nfs/dbraw/zinc/74/16/35/598741635.db2.gz AHGQBEPHZZXOCI-INIZCTEOSA-N -1 3 361.449 3.020 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)NC1(c2ccc(Cl)cc2)CC1 ZINC000737799481 598755509 /nfs/dbraw/zinc/75/55/09/598755509.db2.gz OWDKPZHFPNPWNE-YHYXMXQVSA-N -1 3 365.824 3.339 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)NC1(c2ccc(Cl)cc2)CC1 ZINC000737799481 598755510 /nfs/dbraw/zinc/75/55/10/598755510.db2.gz OWDKPZHFPNPWNE-YHYXMXQVSA-N -1 3 365.824 3.339 20 0 FGADHM CSc1ccc(C(=O)N(CC(C)C)c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000737192892 598763672 /nfs/dbraw/zinc/76/36/72/598763672.db2.gz LOKHXZNYGWRGGD-UHFFFAOYSA-N -1 3 357.439 3.484 20 0 FGADHM CSc1ccc(C(=O)N(CC(C)C)c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000737192892 598763674 /nfs/dbraw/zinc/76/36/74/598763674.db2.gz LOKHXZNYGWRGGD-UHFFFAOYSA-N -1 3 357.439 3.484 20 0 FGADHM Cc1ncc(C=CC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)s1 ZINC000737489934 598763754 /nfs/dbraw/zinc/76/37/54/598763754.db2.gz ODWKZJFRBLCIMA-HJWRWDBZSA-N -1 3 368.466 3.082 20 0 FGADHM Cc1ncc(C=CC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)s1 ZINC000737489934 598763756 /nfs/dbraw/zinc/76/37/56/598763756.db2.gz ODWKZJFRBLCIMA-HJWRWDBZSA-N -1 3 368.466 3.082 20 0 FGADHM Fc1cccc(CCNc2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)c1 ZINC000737667898 598771012 /nfs/dbraw/zinc/77/10/12/598771012.db2.gz RPBBWEFIMXUWGQ-UHFFFAOYSA-N -1 3 370.338 3.487 20 0 FGADHM Fc1cccc(CCNc2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)c1 ZINC000737667898 598771014 /nfs/dbraw/zinc/77/10/14/598771014.db2.gz RPBBWEFIMXUWGQ-UHFFFAOYSA-N -1 3 370.338 3.487 20 0 FGADHM Fc1cc(F)c2ncc(-c3nnn[n-]3)c(N3Cc4ccccc4C3)c2c1 ZINC000737643126 598773650 /nfs/dbraw/zinc/77/36/50/598773650.db2.gz BBXFIKZLZSWEIE-UHFFFAOYSA-N -1 3 350.332 3.213 20 0 FGADHM Fc1cc(F)c2ncc(-c3nn[n-]n3)c(N3Cc4ccccc4C3)c2c1 ZINC000737643126 598773651 /nfs/dbraw/zinc/77/36/51/598773651.db2.gz BBXFIKZLZSWEIE-UHFFFAOYSA-N -1 3 350.332 3.213 20 0 FGADHM Cc1nn(C)c(C)c1[C@H]1CCCN1c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737508990 598787634 /nfs/dbraw/zinc/78/76/34/598787634.db2.gz FBXBQWPPECNDNR-OAHLLOKOSA-N -1 3 357.849 3.212 20 0 FGADHM Cc1nn(C)c(C)c1[C@H]1CCCN1c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737508990 598787635 /nfs/dbraw/zinc/78/76/35/598787635.db2.gz FBXBQWPPECNDNR-OAHLLOKOSA-N -1 3 357.849 3.212 20 0 FGADHM Cc1cc(Nc2ccc(OCc3cccc(-c4nnn[n-]4)c3)cc2)ncn1 ZINC000737279878 598788116 /nfs/dbraw/zinc/78/81/16/598788116.db2.gz FRWYKCUMSCICGA-UHFFFAOYSA-N -1 3 359.393 3.288 20 0 FGADHM Cc1cc(Nc2ccc(OCc3cccc(-c4nn[n-]n4)c3)cc2)ncn1 ZINC000737279878 598788117 /nfs/dbraw/zinc/78/81/17/598788117.db2.gz FRWYKCUMSCICGA-UHFFFAOYSA-N -1 3 359.393 3.288 20 0 FGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1)c1ccc(-n2cccc2)c(F)c1 ZINC000738233029 598788488 /nfs/dbraw/zinc/78/84/88/598788488.db2.gz PEXVNTZILKDMPZ-UHFFFAOYSA-N -1 3 363.352 3.154 20 0 FGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1)c1ccc(-n2cccc2)c(F)c1 ZINC000738233029 598788490 /nfs/dbraw/zinc/78/84/90/598788490.db2.gz PEXVNTZILKDMPZ-UHFFFAOYSA-N -1 3 363.352 3.154 20 0 FGADHM COc1ccccc1OCCN(C)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000737152042 598794793 /nfs/dbraw/zinc/79/47/93/598794793.db2.gz LDBFORMSCZSSTQ-UHFFFAOYSA-N -1 3 359.817 3.044 20 0 FGADHM COc1ccccc1OCCN(C)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000737152042 598794795 /nfs/dbraw/zinc/79/47/95/598794795.db2.gz LDBFORMSCZSSTQ-UHFFFAOYSA-N -1 3 359.817 3.044 20 0 FGADHM CC(C)(Oc1cccc(Cl)c1)C(=O)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000735679246 598799441 /nfs/dbraw/zinc/79/94/41/598799441.db2.gz GWDRPPTVBGFGKI-UHFFFAOYSA-N -1 3 372.812 3.421 20 0 FGADHM CC(C)(Oc1cccc(Cl)c1)C(=O)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000735679246 598799442 /nfs/dbraw/zinc/79/94/42/598799442.db2.gz GWDRPPTVBGFGKI-UHFFFAOYSA-N -1 3 372.812 3.421 20 0 FGADHM CC(C)(C)[C@@H]1OCCC[C@H]1CNc1nc2c(cc1-c1nnn[n-]1)CCC2 ZINC000735597987 599304743 /nfs/dbraw/zinc/30/47/43/599304743.db2.gz VQYBQZSAUBUAJI-XJKSGUPXSA-N -1 3 356.474 3.004 20 0 FGADHM CC(C)(C)[C@@H]1OCCC[C@H]1CNc1nc2c(cc1-c1nn[n-]n1)CCC2 ZINC000735597987 599304747 /nfs/dbraw/zinc/30/47/47/599304747.db2.gz VQYBQZSAUBUAJI-XJKSGUPXSA-N -1 3 356.474 3.004 20 0 FGADHM O=C(COC(=O)c1cc2sccc2s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826416417 607368381 /nfs/dbraw/zinc/36/83/81/607368381.db2.gz YUVYRDNKKKXDFI-UHFFFAOYSA-N -1 3 370.415 3.183 20 0 FGADHM O=C(COC(=O)c1cc2sccc2s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826416417 607368383 /nfs/dbraw/zinc/36/83/83/607368383.db2.gz YUVYRDNKKKXDFI-UHFFFAOYSA-N -1 3 370.415 3.183 20 0 FGADHM CC(C)(C)OC(=O)c1ccc(CNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000819945879 607368480 /nfs/dbraw/zinc/36/84/80/607368480.db2.gz HKEJJFIVCYQEIL-UHFFFAOYSA-N -1 3 351.410 3.434 20 0 FGADHM CC(C)(C)OC(=O)c1ccc(CNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000819945879 607368482 /nfs/dbraw/zinc/36/84/82/607368482.db2.gz HKEJJFIVCYQEIL-UHFFFAOYSA-N -1 3 351.410 3.434 20 0 FGADHM COCCOc1ccc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c(C)c1 ZINC000737015232 599323880 /nfs/dbraw/zinc/32/38/80/599323880.db2.gz NDPDVHYJWTYMQN-CQSZACIVSA-N -1 3 353.426 3.373 20 0 FGADHM COCCOc1ccc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c(C)c1 ZINC000737015232 599323883 /nfs/dbraw/zinc/32/38/83/599323883.db2.gz NDPDVHYJWTYMQN-CQSZACIVSA-N -1 3 353.426 3.373 20 0 FGADHM CN(C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C1CCCC1 ZINC000736739848 599324380 /nfs/dbraw/zinc/32/43/80/599324380.db2.gz VBVRVURTUSNXMZ-UHFFFAOYSA-N -1 3 354.336 3.292 20 0 FGADHM CN(C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C1CCCC1 ZINC000736739848 599324383 /nfs/dbraw/zinc/32/43/83/599324383.db2.gz VBVRVURTUSNXMZ-UHFFFAOYSA-N -1 3 354.336 3.292 20 0 FGADHM CC(C)(C)OC(=O)Cc1cccc(NCc2ccccc2-c2nnn[n-]2)c1 ZINC000735624020 599331858 /nfs/dbraw/zinc/33/18/58/599331858.db2.gz PWSUALPPXWFSDB-UHFFFAOYSA-N -1 3 365.437 3.363 20 0 FGADHM CC(C)(C)OC(=O)Cc1cccc(NCc2ccccc2-c2nn[n-]n2)c1 ZINC000735624020 599331861 /nfs/dbraw/zinc/33/18/61/599331861.db2.gz PWSUALPPXWFSDB-UHFFFAOYSA-N -1 3 365.437 3.363 20 0 FGADHM CCCC[C@@H](Sc1ccccc1-c1nnn[n-]1)C(=O)Nc1cc(C)on1 ZINC000821043631 599344356 /nfs/dbraw/zinc/34/43/56/599344356.db2.gz QWTYWMFHHJUANU-CQSZACIVSA-N -1 3 372.454 3.453 20 0 FGADHM CCCC[C@@H](Sc1ccccc1-c1nn[n-]n1)C(=O)Nc1cc(C)on1 ZINC000821043631 599344357 /nfs/dbraw/zinc/34/43/57/599344357.db2.gz QWTYWMFHHJUANU-CQSZACIVSA-N -1 3 372.454 3.453 20 0 FGADHM c1ccc(CCc2noc(CSc3ccccc3-c3nnn[n-]3)n2)cc1 ZINC000823780970 599351515 /nfs/dbraw/zinc/35/15/15/599351515.db2.gz XTTRQGXTXQUBQW-UHFFFAOYSA-N -1 3 364.434 3.327 20 0 FGADHM c1ccc(CCc2noc(CSc3ccccc3-c3nn[n-]n3)n2)cc1 ZINC000823780970 599351519 /nfs/dbraw/zinc/35/15/19/599351519.db2.gz XTTRQGXTXQUBQW-UHFFFAOYSA-N -1 3 364.434 3.327 20 0 FGADHM Fc1cccc(CCNc2ccc(Br)cc2-c2nnn[n-]2)c1 ZINC000737669052 599362040 /nfs/dbraw/zinc/36/20/40/599362040.db2.gz YWOUUFHHOOXWIC-UHFFFAOYSA-N -1 3 362.206 3.423 20 0 FGADHM Fc1cccc(CCNc2ccc(Br)cc2-c2nn[n-]n2)c1 ZINC000737669052 599362043 /nfs/dbraw/zinc/36/20/43/599362043.db2.gz YWOUUFHHOOXWIC-UHFFFAOYSA-N -1 3 362.206 3.423 20 0 FGADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)CC[C@@H]1CC[C@@H](C)O1 ZINC000820087731 599364303 /nfs/dbraw/zinc/36/43/03/599364303.db2.gz YMWHHINBYVAYHP-QAPCUYQASA-N -1 3 371.485 3.199 20 0 FGADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)CC[C@@H]1CC[C@@H](C)O1 ZINC000820087731 599364306 /nfs/dbraw/zinc/36/43/06/599364306.db2.gz YMWHHINBYVAYHP-QAPCUYQASA-N -1 3 371.485 3.199 20 0 FGADHM COC(=O)[C@H](C)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)c(Cl)c1 ZINC000821638590 599369339 /nfs/dbraw/zinc/36/93/39/599369339.db2.gz CJBCIRFHSRFSCC-JTQLQIEISA-N -1 3 373.800 3.286 20 0 FGADHM COC(=O)[C@H](C)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC000821638590 599369341 /nfs/dbraw/zinc/36/93/41/599369341.db2.gz CJBCIRFHSRFSCC-JTQLQIEISA-N -1 3 373.800 3.286 20 0 FGADHM COc1ccc(CN(C)c2cc(Cl)ccc2-c2nnn[n-]2)cc1OC ZINC000737091567 599395539 /nfs/dbraw/zinc/39/55/39/599395539.db2.gz WBZYSRQLUTYYEB-UHFFFAOYSA-N -1 3 359.817 3.174 20 0 FGADHM COc1ccc(CN(C)c2cc(Cl)ccc2-c2nn[n-]n2)cc1OC ZINC000737091567 599395542 /nfs/dbraw/zinc/39/55/42/599395542.db2.gz WBZYSRQLUTYYEB-UHFFFAOYSA-N -1 3 359.817 3.174 20 0 FGADHM C[C@@H](NC(=O)NCc1cccc(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820373888 599399164 /nfs/dbraw/zinc/39/91/64/599399164.db2.gz KUXRVVYJSOZSHS-LLVKDONJSA-N -1 3 356.817 3.081 20 0 FGADHM C[C@@H](NC(=O)NCc1cccc(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820373888 599399167 /nfs/dbraw/zinc/39/91/67/599399167.db2.gz KUXRVVYJSOZSHS-LLVKDONJSA-N -1 3 356.817 3.081 20 0 FGADHM Cc1ccccc1[C@@H](C)CC(=O)OCC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826305610 607373604 /nfs/dbraw/zinc/37/36/04/607373604.db2.gz CVBOHWXPWIWQML-AWEZNQCLSA-N -1 3 364.405 3.095 20 0 FGADHM Cc1ccccc1[C@@H](C)CC(=O)OCC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826305610 607373606 /nfs/dbraw/zinc/37/36/06/607373606.db2.gz CVBOHWXPWIWQML-AWEZNQCLSA-N -1 3 364.405 3.095 20 0 FGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)N[C@@H](CC1CC1)c1ccccc1 ZINC000823246121 599410331 /nfs/dbraw/zinc/41/03/31/599410331.db2.gz CIHXSNFOCAAILA-SFHVURJKSA-N -1 3 362.437 3.207 20 0 FGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)N[C@@H](CC1CC1)c1ccccc1 ZINC000823246121 599410333 /nfs/dbraw/zinc/41/03/33/599410333.db2.gz CIHXSNFOCAAILA-SFHVURJKSA-N -1 3 362.437 3.207 20 0 FGADHM Clc1ccc(-c2nnn[n-]2)c(N2CCCN(c3ccccc3)CC2)c1 ZINC000737570417 599414386 /nfs/dbraw/zinc/41/43/86/599414386.db2.gz GZJRVXMCOIVHSK-UHFFFAOYSA-N -1 3 354.845 3.237 20 0 FGADHM Clc1ccc(-c2nn[n-]n2)c(N2CCCN(c3ccccc3)CC2)c1 ZINC000737570417 599414389 /nfs/dbraw/zinc/41/43/89/599414389.db2.gz GZJRVXMCOIVHSK-UHFFFAOYSA-N -1 3 354.845 3.237 20 0 FGADHM CC[C@H](Cc1ccccc1)N(C)C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000820914636 599414850 /nfs/dbraw/zinc/41/48/50/599414850.db2.gz QJZIEJJAPYGDAK-GOSISDBHSA-N -1 3 364.453 3.029 20 0 FGADHM CC[C@H](Cc1ccccc1)N(C)C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000820914636 599414853 /nfs/dbraw/zinc/41/48/53/599414853.db2.gz QJZIEJJAPYGDAK-GOSISDBHSA-N -1 3 364.453 3.029 20 0 FGADHM Fc1ccccc1[C@H]1CN(c2cc(Cl)ccc2-c2nnn[n-]2)CCO1 ZINC000737668514 599428322 /nfs/dbraw/zinc/42/83/22/599428322.db2.gz GUJBHRXMIYTZBX-MRXNPFEDSA-N -1 3 359.792 3.237 20 0 FGADHM Fc1ccccc1[C@H]1CN(c2cc(Cl)ccc2-c2nn[n-]n2)CCO1 ZINC000737668514 599428324 /nfs/dbraw/zinc/42/83/24/599428324.db2.gz GUJBHRXMIYTZBX-MRXNPFEDSA-N -1 3 359.792 3.237 20 0 FGADHM Cc1ccc2c(c1)[C@@H](NC(=O)N[C@H](C)c1cccc(-c3nnn[n-]3)c1)CC2 ZINC000822275403 599437357 /nfs/dbraw/zinc/43/73/57/599437357.db2.gz UENKFEMDHLKZOJ-ACJLOTCBSA-N -1 3 362.437 3.223 20 0 FGADHM Cc1ccc2c(c1)[C@@H](NC(=O)N[C@H](C)c1cccc(-c3nn[n-]n3)c1)CC2 ZINC000822275403 599437359 /nfs/dbraw/zinc/43/73/59/599437359.db2.gz UENKFEMDHLKZOJ-ACJLOTCBSA-N -1 3 362.437 3.223 20 0 FGADHM CCCCc1noc([C@@H](C)SCCOc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000736467173 599451150 /nfs/dbraw/zinc/45/11/50/599451150.db2.gz XDIACDPDUVZJCS-GFCCVEGCSA-N -1 3 374.470 3.466 20 0 FGADHM CC(C)[C@@H]1CCC[C@@H](NC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC000820037579 599459767 /nfs/dbraw/zinc/45/97/67/599459767.db2.gz FFLKPDMWJAYLOL-IUODEOHRSA-N -1 3 360.437 3.020 20 0 FGADHM CC(C)[C@@H]1CCC[C@@H](NC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC000820037579 599459770 /nfs/dbraw/zinc/45/97/70/599459770.db2.gz FFLKPDMWJAYLOL-IUODEOHRSA-N -1 3 360.437 3.020 20 0 FGADHM Cc1ccc([C@H](C)N(C)C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000822228915 599461703 /nfs/dbraw/zinc/46/17/03/599461703.db2.gz ISGAJYQBAPJJFW-ZDUSSCGKSA-N -1 3 368.416 3.217 20 0 FGADHM Cc1ccc([C@H](C)N(C)C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000822228915 599461706 /nfs/dbraw/zinc/46/17/06/599461706.db2.gz ISGAJYQBAPJJFW-ZDUSSCGKSA-N -1 3 368.416 3.217 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H]1CC[C@@H](SC)C1 ZINC000821104514 599466516 /nfs/dbraw/zinc/46/65/16/599466516.db2.gz GXNJRZQXOZMNNJ-JKSUJKDBSA-N -1 3 374.514 3.072 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H]1CC[C@@H](SC)C1 ZINC000821104514 599466519 /nfs/dbraw/zinc/46/65/19/599466519.db2.gz GXNJRZQXOZMNNJ-JKSUJKDBSA-N -1 3 374.514 3.072 20 0 FGADHM C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)c1sccc1-c1nnn[n-]1 ZINC000736056249 599467897 /nfs/dbraw/zinc/46/78/97/599467897.db2.gz MHYIGFHCVASWSL-JTQLQIEISA-N -1 3 361.858 3.285 20 0 FGADHM C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)c1sccc1-c1nn[n-]n1 ZINC000736056249 599467899 /nfs/dbraw/zinc/46/78/99/599467899.db2.gz MHYIGFHCVASWSL-JTQLQIEISA-N -1 3 361.858 3.285 20 0 FGADHM Cc1nc(C(C)(C)NC(=O)C=Cc2ccccc2-c2nnn[n-]2)sc1C ZINC000737468305 599468862 /nfs/dbraw/zinc/46/88/62/599468862.db2.gz UHNYZKIDFVPTOI-MDZDMXLPSA-N -1 3 368.466 3.005 20 0 FGADHM Cc1nc(C(C)(C)NC(=O)C=Cc2ccccc2-c2nn[n-]n2)sc1C ZINC000737468305 599468864 /nfs/dbraw/zinc/46/88/64/599468864.db2.gz UHNYZKIDFVPTOI-MDZDMXLPSA-N -1 3 368.466 3.005 20 0 FGADHM C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736234165 599470162 /nfs/dbraw/zinc/47/01/62/599470162.db2.gz IJFMLMRPFCNONN-BLLLJJGKSA-N -1 3 351.385 3.024 20 0 FGADHM C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736234165 599470165 /nfs/dbraw/zinc/47/01/65/599470165.db2.gz IJFMLMRPFCNONN-BLLLJJGKSA-N -1 3 351.385 3.024 20 0 FGADHM C[C@H](NC(=O)N1CCC[C@@H]1C1CCCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820348168 599483464 /nfs/dbraw/zinc/48/34/64/599483464.db2.gz APLFZDKKMFBFNY-SUMWQHHRSA-N -1 3 354.458 3.292 20 0 FGADHM C[C@H](NC(=O)N1CCC[C@@H]1C1CCCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820348168 599483467 /nfs/dbraw/zinc/48/34/67/599483467.db2.gz APLFZDKKMFBFNY-SUMWQHHRSA-N -1 3 354.458 3.292 20 0 FGADHM C[C@H](NC(=O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820357507 599485932 /nfs/dbraw/zinc/48/59/32/599485932.db2.gz HKFQRXMKTWJFDC-GZIXRCOHSA-N -1 3 354.458 3.196 20 0 FGADHM C[C@H](NC(=O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820357507 599485934 /nfs/dbraw/zinc/48/59/34/599485934.db2.gz HKFQRXMKTWJFDC-GZIXRCOHSA-N -1 3 354.458 3.196 20 0 FGADHM Cc1ncc(CN(C)c2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)s1 ZINC000822467897 599486321 /nfs/dbraw/zinc/48/63/21/599486321.db2.gz UGHHIHVABMDXHS-UHFFFAOYSA-N -1 3 371.857 3.470 20 0 FGADHM Cc1ncc(CN(C)c2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)s1 ZINC000822467897 599486322 /nfs/dbraw/zinc/48/63/22/599486322.db2.gz UGHHIHVABMDXHS-UHFFFAOYSA-N -1 3 371.857 3.470 20 0 FGADHM Cc1ccc(N2CCCN(c3ccc(F)cc3-c3nnn[n-]3)CC2)cc1 ZINC000822242465 599488338 /nfs/dbraw/zinc/48/83/38/599488338.db2.gz LYHYNCJLFLSZQG-UHFFFAOYSA-N -1 3 352.417 3.031 20 0 FGADHM Cc1ccc(N2CCCN(c3ccc(F)cc3-c3nn[n-]n3)CC2)cc1 ZINC000822242465 599488341 /nfs/dbraw/zinc/48/83/41/599488341.db2.gz LYHYNCJLFLSZQG-UHFFFAOYSA-N -1 3 352.417 3.031 20 0 FGADHM C[C@H]1CN(c2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)CC(C)(C)O1 ZINC000820768617 599495244 /nfs/dbraw/zinc/49/52/44/599495244.db2.gz OWWIOWACMOBKRF-JTQLQIEISA-N -1 3 358.833 3.072 20 0 FGADHM C[C@H]1CN(c2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)CC(C)(C)O1 ZINC000820768617 599495245 /nfs/dbraw/zinc/49/52/45/599495245.db2.gz OWWIOWACMOBKRF-JTQLQIEISA-N -1 3 358.833 3.072 20 0 FGADHM C[C@H](NC(=O)NC1(c2ccccc2F)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736110731 599500910 /nfs/dbraw/zinc/50/09/10/599500910.db2.gz BYJUVCBTDQIMRS-LBPRGKRZSA-N -1 3 366.400 3.055 20 0 FGADHM C[C@H](NC(=O)NC1(c2ccccc2F)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736110731 599500912 /nfs/dbraw/zinc/50/09/12/599500912.db2.gz BYJUVCBTDQIMRS-LBPRGKRZSA-N -1 3 366.400 3.055 20 0 FGADHM CC(C)Oc1ccc(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000820154897 599506033 /nfs/dbraw/zinc/50/60/33/599506033.db2.gz BYYMUJLTIWXTEC-ZDUSSCGKSA-N -1 3 351.410 3.145 20 0 FGADHM CC(C)Oc1ccc(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000820154897 599506034 /nfs/dbraw/zinc/50/60/34/599506034.db2.gz BYYMUJLTIWXTEC-ZDUSSCGKSA-N -1 3 351.410 3.145 20 0 FGADHM CC(=CC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1cccc(F)c1 ZINC000819765955 599525215 /nfs/dbraw/zinc/52/52/15/599525215.db2.gz TURLWBKHFHWNSV-SRXBQZRASA-N -1 3 351.385 3.287 20 0 FGADHM CC(=CC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1cccc(F)c1 ZINC000819765955 599525218 /nfs/dbraw/zinc/52/52/18/599525218.db2.gz TURLWBKHFHWNSV-SRXBQZRASA-N -1 3 351.385 3.287 20 0 FGADHM c1ccc2c(c1)CC[C@@H](CNc1cc(-c3nnn[n-]3)c3ccccc3n1)N2 ZINC000823796813 599525678 /nfs/dbraw/zinc/52/56/78/599525678.db2.gz HKOQNURATXYZMQ-AWEZNQCLSA-N -1 3 357.421 3.254 20 0 FGADHM c1ccc2c(c1)CC[C@@H](CNc1cc(-c3nn[n-]n3)c3ccccc3n1)N2 ZINC000823796813 599525679 /nfs/dbraw/zinc/52/56/79/599525679.db2.gz HKOQNURATXYZMQ-AWEZNQCLSA-N -1 3 357.421 3.254 20 0 FGADHM Cc1cccc2c(CCC(=O)N[C@H](C)c3cccc(-c4nnn[n-]4)c3)c[nH]c21 ZINC000822331413 599528192 /nfs/dbraw/zinc/52/81/92/599528192.db2.gz GATWVIOGOFALHI-CQSZACIVSA-N -1 3 374.448 3.466 20 0 FGADHM Cc1cccc2c(CCC(=O)N[C@H](C)c3cccc(-c4nn[n-]n4)c3)c[nH]c21 ZINC000822331413 599528196 /nfs/dbraw/zinc/52/81/96/599528196.db2.gz GATWVIOGOFALHI-CQSZACIVSA-N -1 3 374.448 3.466 20 0 FGADHM CCc1nccn1[C@H]1CCCN(c2c(Cl)cccc2-c2nn[n-]n2)C1 ZINC000821518265 599538308 /nfs/dbraw/zinc/53/83/08/599538308.db2.gz SGZAJSRLONNBJW-LBPRGKRZSA-N -1 3 357.849 3.121 20 0 FGADHM Cc1oc(-c2ccccc2F)nc1C(=O)Nc1sccc1-c1nnn[n-]1 ZINC000737546709 599540226 /nfs/dbraw/zinc/54/02/26/599540226.db2.gz GAKPBKSVFVKTEV-UHFFFAOYSA-N -1 3 370.369 3.283 20 0 FGADHM Cc1oc(-c2ccccc2F)nc1C(=O)Nc1sccc1-c1nn[n-]n1 ZINC000737546709 599540228 /nfs/dbraw/zinc/54/02/28/599540228.db2.gz GAKPBKSVFVKTEV-UHFFFAOYSA-N -1 3 370.369 3.283 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H](C)Cc1ccccc1F ZINC000736636696 599543870 /nfs/dbraw/zinc/54/38/70/599543870.db2.gz QMLGHFFUOIAJND-LBPRGKRZSA-N -1 3 369.400 3.222 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H](C)Cc1ccccc1F ZINC000736636696 599543873 /nfs/dbraw/zinc/54/38/73/599543873.db2.gz QMLGHFFUOIAJND-LBPRGKRZSA-N -1 3 369.400 3.222 20 0 FGADHM CC[C@H](C)[C@@H]1CCCCN1C(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000736330283 599547903 /nfs/dbraw/zinc/54/79/03/599547903.db2.gz MEPOFLSSCJOJMJ-ZQIUZPCESA-N -1 3 357.458 3.061 20 0 FGADHM O=C(c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1)N1C[C@@H]2CCC[C@H]21 ZINC000738273014 599574144 /nfs/dbraw/zinc/57/41/44/599574144.db2.gz JJJXXFRXHCVQLF-MAUKXSAKSA-N -1 3 360.421 3.235 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N[C@H]1CCC[C@H]1Cc1ccccc1 ZINC000738152062 599600463 /nfs/dbraw/zinc/60/04/63/599600463.db2.gz QPFHIAQPGSDAHQ-WMZOPIPTSA-N -1 3 362.437 3.400 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N[C@H]1CCC[C@H]1Cc1ccccc1 ZINC000738152062 599600465 /nfs/dbraw/zinc/60/04/65/599600465.db2.gz QPFHIAQPGSDAHQ-WMZOPIPTSA-N -1 3 362.437 3.400 20 0 FGADHM CC[C@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1F ZINC000736366095 599601370 /nfs/dbraw/zinc/60/13/70/599601370.db2.gz YGNFMBLJMMYUKJ-INIZCTEOSA-N -1 3 372.379 3.095 20 0 FGADHM CC[C@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1F ZINC000736366095 599601371 /nfs/dbraw/zinc/60/13/71/599601371.db2.gz YGNFMBLJMMYUKJ-INIZCTEOSA-N -1 3 372.379 3.095 20 0 FGADHM C[C@@H](C(=O)OCCCOc1ccc(-c2nn[n-]n2)cc1)c1cccs1 ZINC000735571756 599607097 /nfs/dbraw/zinc/60/70/97/599607097.db2.gz JCBLLWDAJRXXKH-GFCCVEGCSA-N -1 3 358.423 3.044 20 0 FGADHM C[C@@H](CCc1cccc(F)c1)C(=O)OCc1ccccc1-c1nnn[n-]1 ZINC000820254382 599621418 /nfs/dbraw/zinc/62/14/18/599621418.db2.gz OYEAHTWVXMJBGA-ZDUSSCGKSA-N -1 3 354.385 3.318 20 0 FGADHM C[C@@H](CCc1cccc(F)c1)C(=O)OCc1ccccc1-c1nn[n-]n1 ZINC000820254382 599621419 /nfs/dbraw/zinc/62/14/19/599621419.db2.gz OYEAHTWVXMJBGA-ZDUSSCGKSA-N -1 3 354.385 3.318 20 0 FGADHM Cc1cccc2c(CCC(=O)OCc3ccccc3-c3nnn[n-]3)c[nH]c21 ZINC000822332001 599621670 /nfs/dbraw/zinc/62/16/70/599621670.db2.gz KNBBATPVCKWBLL-UHFFFAOYSA-N -1 3 361.405 3.332 20 0 FGADHM Cc1cccc2c(CCC(=O)OCc3ccccc3-c3nn[n-]n3)c[nH]c21 ZINC000822332001 599621671 /nfs/dbraw/zinc/62/16/71/599621671.db2.gz KNBBATPVCKWBLL-UHFFFAOYSA-N -1 3 361.405 3.332 20 0 FGADHM CC(C)(C)c1ncc(C=CC(=O)OCc2cccc(-c3nnn[n-]3)c2)s1 ZINC000819965362 599622703 /nfs/dbraw/zinc/62/27/03/599622703.db2.gz CWLCFYGDYCKYGQ-BQYQJAHWSA-N -1 3 369.450 3.377 20 0 FGADHM CC(C)(C)c1ncc(C=CC(=O)OCc2cccc(-c3nn[n-]n3)c2)s1 ZINC000819965362 599622704 /nfs/dbraw/zinc/62/27/04/599622704.db2.gz CWLCFYGDYCKYGQ-BQYQJAHWSA-N -1 3 369.450 3.377 20 0 FGADHM C[C@@H]1CCc2c(sc(NC(=O)CCC(F)(F)F)c2-c2nnn[n-]2)C1 ZINC000820727182 599628475 /nfs/dbraw/zinc/62/84/75/599628475.db2.gz IFDJRCCIXKCZTJ-SSDOTTSWSA-N -1 3 359.377 3.334 20 0 FGADHM C[C@@H]1CCc2c(sc(NC(=O)CCC(F)(F)F)c2-c2nn[n-]n2)C1 ZINC000820727182 599628476 /nfs/dbraw/zinc/62/84/76/599628476.db2.gz IFDJRCCIXKCZTJ-SSDOTTSWSA-N -1 3 359.377 3.334 20 0 FGADHM Cc1ccc([C@H](C)C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)o1 ZINC000822227687 599628755 /nfs/dbraw/zinc/62/87/55/599628755.db2.gz RNFBBBQSOUADFP-JTQLQIEISA-N -1 3 357.439 3.451 20 0 FGADHM Cc1ccc([C@H](C)C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)o1 ZINC000822227687 599628756 /nfs/dbraw/zinc/62/87/56/599628756.db2.gz RNFBBBQSOUADFP-JTQLQIEISA-N -1 3 357.439 3.451 20 0 FGADHM CC(C)c1nn(C)c2sc(C(=O)Nc3sccc3-c3nn[n-]n3)cc12 ZINC000820206443 599629471 /nfs/dbraw/zinc/62/94/71/599629471.db2.gz KYJPEPPQWKDJEM-UHFFFAOYSA-N -1 3 373.467 3.252 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H](c1ccccc1)C(C)C ZINC000821755976 599630789 /nfs/dbraw/zinc/63/07/89/599630789.db2.gz LBGFVDNWCGUKTD-KRWDZBQOSA-N -1 3 351.410 3.254 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H](c1ccccc1)C(C)C ZINC000821755976 599630790 /nfs/dbraw/zinc/63/07/90/599630790.db2.gz LBGFVDNWCGUKTD-KRWDZBQOSA-N -1 3 351.410 3.254 20 0 FGADHM CCCCO[C@H](C)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821071524 599632911 /nfs/dbraw/zinc/63/29/11/599632911.db2.gz HHOFDRLLTQEDNX-SECBINFHSA-N -1 3 357.336 3.029 20 0 FGADHM CCCCO[C@H](C)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000821071524 599632910 /nfs/dbraw/zinc/63/29/10/599632910.db2.gz HHOFDRLLTQEDNX-SECBINFHSA-N -1 3 357.336 3.029 20 0 FGADHM CCCCC[C@@H](C)CC(=O)O[C@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000821049299 599668185 /nfs/dbraw/zinc/66/81/85/599668185.db2.gz KILYKXISBLCWKE-ZIAGYGMSSA-N -1 3 373.457 3.343 20 0 FGADHM CCCCC[C@@H](C)CC(=O)O[C@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000821049299 599668186 /nfs/dbraw/zinc/66/81/86/599668186.db2.gz KILYKXISBLCWKE-ZIAGYGMSSA-N -1 3 373.457 3.343 20 0 FGADHM CCCCC[C@H](C)CC(=O)O[C@@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000821051082 599668414 /nfs/dbraw/zinc/66/84/14/599668414.db2.gz XVFTUYLOILEKGH-KBPBESRZSA-N -1 3 373.457 3.343 20 0 FGADHM CCCCC[C@H](C)CC(=O)O[C@@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000821051082 599668415 /nfs/dbraw/zinc/66/84/15/599668415.db2.gz XVFTUYLOILEKGH-KBPBESRZSA-N -1 3 373.457 3.343 20 0 FGADHM CC(C)[C@H](C(=O)OCCOc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000820017525 599669617 /nfs/dbraw/zinc/66/96/17/599669617.db2.gz ZDJQWRXYHZEGOY-SFHVURJKSA-N -1 3 366.421 3.229 20 0 FGADHM CC(C)[C@H](C(=O)OCCOc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000820017525 599669618 /nfs/dbraw/zinc/66/96/18/599669618.db2.gz ZDJQWRXYHZEGOY-SFHVURJKSA-N -1 3 366.421 3.229 20 0 FGADHM CCCC1CCC(NC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)CC1 ZINC000821040887 599672794 /nfs/dbraw/zinc/67/27/94/599672794.db2.gz USIVAUNVRDNZKW-UHFFFAOYSA-N -1 3 360.437 3.164 20 0 FGADHM CCCC1CCC(NC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)CC1 ZINC000821040887 599672795 /nfs/dbraw/zinc/67/27/95/599672795.db2.gz USIVAUNVRDNZKW-UHFFFAOYSA-N -1 3 360.437 3.164 20 0 FGADHM CC(C)CN(C(=O)NCc1cc(-c2nnn[n-]2)ccc1F)C1CCCC1 ZINC000820081673 599679299 /nfs/dbraw/zinc/67/92/99/599679299.db2.gz QHCKIWTUBMUADB-UHFFFAOYSA-N -1 3 360.437 3.116 20 0 FGADHM CC(C)CN(C(=O)NCc1cc(-c2nn[n-]n2)ccc1F)C1CCCC1 ZINC000820081673 599679300 /nfs/dbraw/zinc/67/93/00/599679300.db2.gz QHCKIWTUBMUADB-UHFFFAOYSA-N -1 3 360.437 3.116 20 0 FGADHM CC[C@H]1Oc2cc([C@H](C)Nc3ccc(-c4nn[n-]n4)cc3)ccc2NC1=O ZINC000821001917 599689106 /nfs/dbraw/zinc/68/91/06/599689106.db2.gz TUDQBNQLVNODBE-MEDUHNTESA-N -1 3 364.409 3.149 20 0 FGADHM CCc1ccc([C@H](CNC(=O)c2ccccc2NC(=O)[O-])N(C)C)cc1 ZINC000737258529 599706339 /nfs/dbraw/zinc/70/63/39/599706339.db2.gz HBDWQIVCHNYIRQ-SFHVURJKSA-N -1 3 355.438 3.372 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)O[C@@H](C(=O)c1ccccc1)C(C)C ZINC000826251771 607388527 /nfs/dbraw/zinc/38/85/27/607388527.db2.gz ZXUNWWXVUGLBCK-GOSISDBHSA-N -1 3 364.405 3.239 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)O[C@@H](C(=O)c1ccccc1)C(C)C ZINC000826251771 607388529 /nfs/dbraw/zinc/38/85/29/607388529.db2.gz ZXUNWWXVUGLBCK-GOSISDBHSA-N -1 3 364.405 3.239 20 0 FGADHM Cc1ccsc1CCCC(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000826316277 607391630 /nfs/dbraw/zinc/39/16/30/607391630.db2.gz IWUHQNOZIIPRHH-UHFFFAOYSA-N -1 3 360.414 3.442 20 0 FGADHM Cc1ccsc1CCCC(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000826316277 607391632 /nfs/dbraw/zinc/39/16/32/607391632.db2.gz IWUHQNOZIIPRHH-UHFFFAOYSA-N -1 3 360.414 3.442 20 0 FGADHM O=C([O-])[C@@H](NCc1cc2c(c(Br)c1)OCO2)c1ccccc1 ZINC000315635930 599787170 /nfs/dbraw/zinc/78/71/70/599787170.db2.gz QNFIUXIPLQBSRG-AWEZNQCLSA-N -1 3 364.195 3.093 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc(C(C)C)nc1 ZINC000821411793 607393871 /nfs/dbraw/zinc/39/38/71/607393871.db2.gz BKOBVUNHMIJQJI-UHFFFAOYSA-N -1 3 352.398 3.036 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(C(C)C)nc1 ZINC000821411793 607393873 /nfs/dbraw/zinc/39/38/73/607393873.db2.gz BKOBVUNHMIJQJI-UHFFFAOYSA-N -1 3 352.398 3.036 20 0 FGADHM O=C([O-])C1(NC(=O)CN[C@@H](c2ccc(F)cc2)C2CCC2)CCCCC1 ZINC000739309329 599793306 /nfs/dbraw/zinc/79/33/06/599793306.db2.gz WQLSIWJPQQBNHL-GOSISDBHSA-N -1 3 362.445 3.160 20 0 FGADHM CN(C)[C@H](CNC(=O)Nc1ccc(CCC(=O)[O-])cc1)c1ccccc1 ZINC000737360389 599827424 /nfs/dbraw/zinc/82/74/24/599827424.db2.gz XOLUIXCOACOCCI-GOSISDBHSA-N -1 3 355.438 3.128 20 0 FGADHM Cc1ccc([C@H](CNC(=O)Nc2ccc(C(=O)[O-])cc2F)N(C)C)cc1 ZINC000738560226 599837144 /nfs/dbraw/zinc/83/71/44/599837144.db2.gz KRFRBZATOPKIEH-KRWDZBQOSA-N -1 3 359.401 3.257 20 0 FGADHM Cc1nc2c(s1)[C@@H](OC(=O)c1ccc(-c3nnn[n-]3)cc1C)CCC2 ZINC000826328047 607402377 /nfs/dbraw/zinc/40/23/77/607402377.db2.gz DSHBTXVFLQLKLL-AWEZNQCLSA-N -1 3 355.423 3.174 20 0 FGADHM Cc1nc2c(s1)[C@@H](OC(=O)c1ccc(-c3nn[n-]n3)cc1C)CCC2 ZINC000826328047 607402378 /nfs/dbraw/zinc/40/23/78/607402378.db2.gz DSHBTXVFLQLKLL-AWEZNQCLSA-N -1 3 355.423 3.174 20 0 FGADHM O=C([O-])c1cccc(OCCN2CCC([C@H](O)c3ccc(F)cc3)CC2)c1 ZINC000740232846 599867890 /nfs/dbraw/zinc/86/78/90/599867890.db2.gz YHUOMYBPCIIUBN-HXUWFJFHSA-N -1 3 373.424 3.348 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000826253626 607403343 /nfs/dbraw/zinc/40/33/43/607403343.db2.gz XMGSTTSONWNVFT-GJZGRUSLSA-N -1 3 370.359 3.300 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000826253626 607403344 /nfs/dbraw/zinc/40/33/44/607403344.db2.gz XMGSTTSONWNVFT-GJZGRUSLSA-N -1 3 370.359 3.300 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)[C@@H](C)Oc1cccc(Cl)c1 ZINC000826252530 607403778 /nfs/dbraw/zinc/40/37/78/607403778.db2.gz GRDKQGAZQPROLX-GFCCVEGCSA-N -1 3 372.812 3.339 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)[C@@H](C)Oc1cccc(Cl)c1 ZINC000826252530 607403780 /nfs/dbraw/zinc/40/37/80/607403780.db2.gz GRDKQGAZQPROLX-GFCCVEGCSA-N -1 3 372.812 3.339 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)C1(c2cccc(F)c2)CC1 ZINC000826253629 607405390 /nfs/dbraw/zinc/40/53/90/607405390.db2.gz XMXIOXPVERNIJQ-UHFFFAOYSA-N -1 3 352.369 3.089 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)C1(c2cccc(F)c2)CC1 ZINC000826253629 607405391 /nfs/dbraw/zinc/40/53/91/607405391.db2.gz XMXIOXPVERNIJQ-UHFFFAOYSA-N -1 3 352.369 3.089 20 0 FGADHM Cc1cncc(C=CC(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)c1 ZINC000822399384 607407421 /nfs/dbraw/zinc/40/74/21/607407421.db2.gz FTXILPNNJNTHFM-QPJJXVBHSA-N -1 3 364.409 3.009 20 0 FGADHM Cc1cncc(C=CC(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)c1 ZINC000822399384 607407423 /nfs/dbraw/zinc/40/74/23/607407423.db2.gz FTXILPNNJNTHFM-QPJJXVBHSA-N -1 3 364.409 3.009 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)c1ccc(F)cc1Cl ZINC000821745312 607409600 /nfs/dbraw/zinc/40/96/00/607409600.db2.gz PAFMICRTTBMUNM-UHFFFAOYSA-N -1 3 362.748 3.025 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)c1ccc(F)cc1Cl ZINC000821745312 607409601 /nfs/dbraw/zinc/40/96/01/607409601.db2.gz PAFMICRTTBMUNM-UHFFFAOYSA-N -1 3 362.748 3.025 20 0 FGADHM CCc1ccc(CCC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC000825711353 607414222 /nfs/dbraw/zinc/41/42/22/607414222.db2.gz ACGDEUPGTQHKKQ-UHFFFAOYSA-N -1 3 361.449 3.167 20 0 FGADHM CCc1ccc(CCC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000825711353 607414223 /nfs/dbraw/zinc/41/42/23/607414223.db2.gz ACGDEUPGTQHKKQ-UHFFFAOYSA-N -1 3 361.449 3.167 20 0 FGADHM C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)CCc2ccc(C(=O)[O-])cc2)C1 ZINC000736722140 600041339 /nfs/dbraw/zinc/04/13/39/600041339.db2.gz AMLCJSGTUCPLRD-OXQOHEQNSA-N -1 3 366.461 3.269 20 0 FGADHM Cc1ccc(CCCC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)s1 ZINC000826287061 607417864 /nfs/dbraw/zinc/41/78/64/607417864.db2.gz BACWBQYSFBKCNX-UHFFFAOYSA-N -1 3 367.478 3.365 20 0 FGADHM Cc1ccc(CCCC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)s1 ZINC000826287061 607417866 /nfs/dbraw/zinc/41/78/66/607417866.db2.gz BACWBQYSFBKCNX-UHFFFAOYSA-N -1 3 367.478 3.365 20 0 FGADHM CC[C@@H]1CCCN(C(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)C1 ZINC000820978366 607428463 /nfs/dbraw/zinc/42/84/63/607428463.db2.gz ALSNBBMFTWPKOO-CYBMUJFWSA-N -1 3 358.446 3.308 20 0 FGADHM CC[C@@H]1CCCN(C(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)C1 ZINC000820978366 607428464 /nfs/dbraw/zinc/42/84/64/607428464.db2.gz ALSNBBMFTWPKOO-CYBMUJFWSA-N -1 3 358.446 3.308 20 0 FGADHM Cc1oc(NC(=O)CN(c2ccc(C)cc2)C(C)C)c(-c2nnn[n-]2)c1C ZINC000826289478 607430826 /nfs/dbraw/zinc/43/08/26/607430826.db2.gz BWELJBKIFLVTDX-UHFFFAOYSA-N -1 3 368.441 3.238 20 0 FGADHM O=C([O-])/C=C1\SCC(=O)N1CCCN1CCCCC[C@@H]1c1ccco1 ZINC000739625223 600263523 /nfs/dbraw/zinc/26/35/23/600263523.db2.gz NQECRQGEKKFCNT-MTOJCTJASA-N -1 3 364.467 3.088 20 0 FGADHM CN(C(=O)c1cc(Oc2ccccc2)ccn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825825974 607436700 /nfs/dbraw/zinc/43/67/00/607436700.db2.gz QKQOOAOAJGPQJW-UHFFFAOYSA-N -1 3 372.388 3.331 20 0 FGADHM CN(C(=O)c1cc(Oc2ccccc2)ccn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825825974 607436702 /nfs/dbraw/zinc/43/67/02/607436702.db2.gz QKQOOAOAJGPQJW-UHFFFAOYSA-N -1 3 372.388 3.331 20 0 FGADHM C[C@@H]1CCc2c(C(=O)N(C)c3ccc(-c4nnn[n-]4)cc3)csc2C1 ZINC000824967678 607433642 /nfs/dbraw/zinc/43/36/42/607433642.db2.gz MOSGSPWGOVSXRY-LLVKDONJSA-N -1 3 353.451 3.330 20 0 FGADHM C[C@@H]1CCc2c(C(=O)N(C)c3ccc(-c4nn[n-]n4)cc3)csc2C1 ZINC000824967678 607433644 /nfs/dbraw/zinc/43/36/44/607433644.db2.gz MOSGSPWGOVSXRY-LLVKDONJSA-N -1 3 353.451 3.330 20 0 FGADHM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825154451 607439715 /nfs/dbraw/zinc/43/97/15/607439715.db2.gz PFWDLGRGWBABHI-XKQJLSEDSA-N -1 3 357.458 3.203 20 0 FGADHM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825154451 607439717 /nfs/dbraw/zinc/43/97/17/607439717.db2.gz PFWDLGRGWBABHI-XKQJLSEDSA-N -1 3 357.458 3.203 20 0 FGADHM C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)Nc2ccc(C(=O)[O-])cc2F)C1 ZINC000736723987 600398526 /nfs/dbraw/zinc/39/85/26/600398526.db2.gz HYWBAPBOEORXFW-CZUORRHYSA-N -1 3 371.412 3.481 20 0 FGADHM CN(C)CCN(Cc1ccccc1)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000737370775 600401227 /nfs/dbraw/zinc/40/12/27/600401227.db2.gz SYZGCBIYCDYBJA-UHFFFAOYSA-N -1 3 359.401 3.120 20 0 FGADHM O=C([O-])[C@@H](NCc1ccc(N2CCCC2=O)cc1)c1cccc(Cl)c1 ZINC000739501253 600419877 /nfs/dbraw/zinc/41/98/77/600419877.db2.gz UWGHRVPPPILPLR-SFHVURJKSA-N -1 3 358.825 3.382 20 0 FGADHM Cc1ccc(Br)c(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826281221 607444211 /nfs/dbraw/zinc/44/42/11/607444211.db2.gz JOBLYRNJJLAOKR-UHFFFAOYSA-N -1 3 372.226 3.214 20 0 FGADHM Cc1ccc(Br)c(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826281221 607444212 /nfs/dbraw/zinc/44/42/12/607444212.db2.gz JOBLYRNJJLAOKR-UHFFFAOYSA-N -1 3 372.226 3.214 20 0 FGADHM CC(C)[C@@H]1CCC[C@H](NC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)C1 ZINC000824216231 607454933 /nfs/dbraw/zinc/45/49/33/607454933.db2.gz PHPLYPAZLKRPCZ-PBHICJAKSA-N -1 3 368.485 3.370 20 0 FGADHM CC(C)[C@@H]1CCC[C@H](NC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)C1 ZINC000824216231 607454935 /nfs/dbraw/zinc/45/49/35/607454935.db2.gz PHPLYPAZLKRPCZ-PBHICJAKSA-N -1 3 368.485 3.370 20 0 FGADHM CC[C@H]1CCC[C@@H](NC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)C1 ZINC000825194447 607456784 /nfs/dbraw/zinc/45/67/84/607456784.db2.gz QVAMFQHQPNSCPZ-XJKSGUPXSA-N -1 3 354.458 3.124 20 0 FGADHM CC[C@H]1CCC[C@@H](NC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)C1 ZINC000825194447 607456785 /nfs/dbraw/zinc/45/67/85/607456785.db2.gz QVAMFQHQPNSCPZ-XJKSGUPXSA-N -1 3 354.458 3.124 20 0 FGADHM CCN1CCCC[C@@H]1C(=O)NC[C@@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000737117136 600606267 /nfs/dbraw/zinc/60/62/67/600606267.db2.gz WZZCUVIOWPILBP-WOJBJXKFSA-N -1 3 368.477 3.074 20 0 FGADHM CCc1ccc([C@@H](C)N[C@H]2CCN(c3sccc3C(=O)[O-])C2=O)cc1 ZINC000830237030 600690926 /nfs/dbraw/zinc/69/09/26/600690926.db2.gz GDHRNCYOFVBLGZ-WBMJQRKESA-N -1 3 358.463 3.465 20 0 FGADHM CC[C@@H]1Oc2cc([C@@H](C)N[C@@H](C(=O)[O-])c3ccccc3)ccc2NC1=O ZINC000829169506 600695078 /nfs/dbraw/zinc/69/50/78/600695078.db2.gz FCHIWUHJZBGYAC-PZPSRYQVSA-N -1 3 354.406 3.273 20 0 FGADHM CC(C)(CC(=O)[O-])NCc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000736317316 600800505 /nfs/dbraw/zinc/80/05/05/600800505.db2.gz UCTUGHUEWZQJOM-UHFFFAOYSA-N -1 3 352.232 3.182 20 0 FGADHM C[C@@H](CN(CC(=O)N(Cc1cccc(F)c1)C(C)(C)C)C1CC1)C(=O)[O-] ZINC000827450382 600823535 /nfs/dbraw/zinc/82/35/35/600823535.db2.gz WKOCHFIBYJKRJC-AWEZNQCLSA-N -1 3 364.461 3.138 20 0 FGADHM Cc1nccn1[C@H]1CCCN(CCOc2ccc(C(=O)[O-])cc2Cl)C1 ZINC000833010047 600827470 /nfs/dbraw/zinc/82/74/70/600827470.db2.gz BDSMEMCEAOTQOF-HNNXBMFYSA-N -1 3 363.845 3.259 20 0 FGADHM CC(=O)Nc1ccc(NCc2ccc(-c3nnn[n-]3)cc2F)cc1Cl ZINC000819817342 607474369 /nfs/dbraw/zinc/47/43/69/607474369.db2.gz BCCNTQCNLIYMJV-UHFFFAOYSA-N -1 3 360.780 3.230 20 0 FGADHM CC(=O)Nc1ccc(NCc2ccc(-c3nn[n-]n3)cc2F)cc1Cl ZINC000819817342 607474370 /nfs/dbraw/zinc/47/43/70/607474370.db2.gz BCCNTQCNLIYMJV-UHFFFAOYSA-N -1 3 360.780 3.230 20 0 FGADHM CCCCCC(=O)NC1CCN([C@H](C(=O)[O-])c2ccccc2F)CC1 ZINC000829304773 600993065 /nfs/dbraw/zinc/99/30/65/600993065.db2.gz KUZMOTKWICUCID-SFHVURJKSA-N -1 3 350.434 3.112 20 0 FGADHM CCN(C(=O)[C@@H]1CCCN(Cc2ccccc2)C1)c1ncc(C(=O)[O-])s1 ZINC000737052965 601125249 /nfs/dbraw/zinc/12/52/49/601125249.db2.gz OHDFVGBJDHXGJH-OAHLLOKOSA-N -1 3 373.478 3.106 20 0 FGADHM CC(C)N(C(=O)CN[C@@H](c1ccccc1)[C@@H](C)C(=O)[O-])c1ccccc1 ZINC000826044036 601201283 /nfs/dbraw/zinc/20/12/83/601201283.db2.gz BGGSVVVMZPELCF-OXQOHEQNSA-N -1 3 354.450 3.480 20 0 FGADHM CC(C)N(C(=O)CN[C@H](c1ccccc1)[C@@H](C)C(=O)[O-])c1ccccc1 ZINC000826044037 601201302 /nfs/dbraw/zinc/20/13/02/601201302.db2.gz BGGSVVVMZPELCF-UZLBHIALSA-N -1 3 354.450 3.480 20 0 FGADHM C[C@@H](C(=O)[O-])[C@@H](NCC(=O)Nc1ccc(F)c(Cl)c1)c1ccccc1 ZINC000826054794 601201357 /nfs/dbraw/zinc/20/13/57/601201357.db2.gz QPWJKIDROAYGOQ-PIGZYNQJSA-N -1 3 364.804 3.469 20 0 FGADHM C[C@@H](C(=O)[O-])[C@@H](NCC(=O)N1CCCc2ccccc21)c1ccccc1 ZINC000826044526 601204572 /nfs/dbraw/zinc/20/45/72/601204572.db2.gz IAUJUPVSBBOEES-FOIQADDNSA-N -1 3 352.434 3.017 20 0 FGADHM C[C@@H](C(=O)[O-])[C@@H](NCC(=O)Nc1ccc(F)cc1Cl)c1ccccc1 ZINC000826052346 601204853 /nfs/dbraw/zinc/20/48/53/601204853.db2.gz GCUZWRPJAQWNLA-PIGZYNQJSA-N -1 3 364.804 3.469 20 0 FGADHM CC(C)(C)OC(=O)Nc1ccc(NCc2cc(-c3nnn[n-]3)cs2)cn1 ZINC000819947003 607491783 /nfs/dbraw/zinc/49/17/83/607491783.db2.gz YRTKGAAZZDIIHK-UHFFFAOYSA-N -1 3 373.442 3.282 20 0 FGADHM CC(C)(C)OC(=O)Nc1ccc(NCc2cc(-c3nn[n-]n3)cs2)cn1 ZINC000819947003 607491785 /nfs/dbraw/zinc/49/17/85/607491785.db2.gz YRTKGAAZZDIIHK-UHFFFAOYSA-N -1 3 373.442 3.282 20 0 FGADHM CCC[C@H](C)NC(=O)[C@@H]1CCCN(Cc2cc(C(=O)[O-])oc2CC)C1 ZINC000829216450 601414397 /nfs/dbraw/zinc/41/43/97/601414397.db2.gz NCPQLGBXTKHAPD-UONOGXRCSA-N -1 3 350.459 3.057 20 0 FGADHM Cc1sc(C(=O)[O-])cc1CN1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000833032672 601620091 /nfs/dbraw/zinc/62/00/91/601620091.db2.gz LKKUCTDYXISSGM-UHFFFAOYSA-N -1 3 354.472 3.244 20 0 FGADHM C[C@H](c1ccc(F)cc1)N(C)C(=O)CN[C@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000826045410 601655288 /nfs/dbraw/zinc/65/52/88/601655288.db2.gz TUOJDNNRVDYZRS-MDOVXXIYSA-N -1 3 372.440 3.397 20 0 FGADHM C[C@H](C(=O)[O-])[C@@H](NCC(=O)NCc1cccc(Cl)c1)c1ccccc1 ZINC000826055185 601657032 /nfs/dbraw/zinc/65/70/32/601657032.db2.gz WPSOPFJSOXQOSH-SCLBCKFNSA-N -1 3 360.841 3.008 20 0 FGADHM Cc1ccccc1CN(C)C(=O)CN[C@@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000832979403 601657165 /nfs/dbraw/zinc/65/71/65/601657165.db2.gz LTYFFPSSEMULCA-OXJNMPFZSA-N -1 3 354.450 3.005 20 0 FGADHM CCCCNC(=O)C1(NCc2ccc(C(=O)[O-])c(F)c2)CCCCC1 ZINC000829396622 601659242 /nfs/dbraw/zinc/65/92/42/601659242.db2.gz RRQJJJOWIYNDLW-UHFFFAOYSA-N -1 3 350.434 3.233 20 0 FGADHM CC(C)CN(CN1C(=O)CN(c2cccc(C(=O)[O-])c2)C1=O)C1CCCC1 ZINC000826881365 601875214 /nfs/dbraw/zinc/87/52/14/601875214.db2.gz QKRUCXBUXPJZFO-UHFFFAOYSA-N -1 3 373.453 3.012 20 0 FGADHM C[C@H](CN(CC(=O)N[C@H](c1cccs1)C(C)(C)C)C1CC1)C(=O)[O-] ZINC000827449689 601917844 /nfs/dbraw/zinc/91/78/44/601917844.db2.gz NUOAOMNPPQXGNO-MLGOLLRUSA-N -1 3 352.500 3.137 20 0 FGADHM C[C@@H]1C[C@@H](NC(=O)Nc2ccc(CC(=O)[O-])cc2)CN1Cc1ccccc1 ZINC000398055494 601930709 /nfs/dbraw/zinc/93/07/09/601930709.db2.gz VGXVIXRKROONJL-DNVCBOLYSA-N -1 3 367.449 3.098 20 0 FGADHM C[C@@H]1CN(Cc2ccc(C(=O)[O-])s2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000828455759 601957739 /nfs/dbraw/zinc/95/77/39/601957739.db2.gz GJFQGJKACNLVJX-DGCLKSJQSA-N -1 3 354.472 3.181 20 0 FGADHM C[C@H](CCC(=O)NCc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000824401603 607538859 /nfs/dbraw/zinc/53/88/59/607538859.db2.gz RCSIZMPLOOKKCC-CYBMUJFWSA-N -1 3 353.401 3.206 20 0 FGADHM C[C@H](CCC(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000824401603 607538861 /nfs/dbraw/zinc/53/88/61/607538861.db2.gz RCSIZMPLOOKKCC-CYBMUJFWSA-N -1 3 353.401 3.206 20 0 FGADHM O=C([O-])c1cccc(CNC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)c1 ZINC000678934011 602057332 /nfs/dbraw/zinc/05/73/32/602057332.db2.gz ZCBRUGXFCGZEEF-SFHVURJKSA-N -1 3 370.424 3.052 20 0 FGADHM O=C([O-])NC[C@H]1CCCCN1CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000740623874 602379240 /nfs/dbraw/zinc/37/92/40/602379240.db2.gz OFRZOHBZRUCJOQ-GFCCVEGCSA-N -1 3 374.268 3.444 20 0 FGADHM CC1CCC(N2CCN(C(=O)Nc3ccc(C(=O)[O-])c(F)c3)CC2)CC1 ZINC000828225637 602379755 /nfs/dbraw/zinc/37/97/55/602379755.db2.gz IMSUNOATNOYHKH-UHFFFAOYSA-N -1 3 363.433 3.252 20 0 FGADHM COc1cc(CN2CCC([C@H](C)NC(=O)[O-])CC2)ccc1OC(F)F ZINC000739860036 602464041 /nfs/dbraw/zinc/46/40/41/602464041.db2.gz MUMMIULJXCJCRT-NSHDSACASA-N -1 3 358.385 3.165 20 0 FGADHM Cc1ccc([C@H](CNC(=O)c2ccc(F)c(NC(=O)[O-])c2)N(C)C)cc1 ZINC000740117610 602507323 /nfs/dbraw/zinc/50/73/23/602507323.db2.gz KSYUYBNFVMZINI-KRWDZBQOSA-N -1 3 359.401 3.257 20 0 FGADHM Cc1nn(C)c(Oc2ccccc2)c1CNCC[C@H]1CCCN(C(=O)[O-])C1 ZINC000740245457 602650430 /nfs/dbraw/zinc/65/04/30/602650430.db2.gz HZGONAXCSMSASD-MRXNPFEDSA-N -1 3 372.469 3.391 20 0 FGADHM Cc1nn(Cc2ccc(F)cc2)c(Cl)c1CNCC[C@H](C)NC(=O)[O-] ZINC000740254513 602650727 /nfs/dbraw/zinc/65/07/27/602650727.db2.gz XNDHWDQIOJKRNF-NSHDSACASA-N -1 3 368.840 3.168 20 0 FGADHM Cc1nn(Cc2ccccc2)c(Cl)c1CNCC[C@@H](C)NC(=O)[O-] ZINC000740252127 602650748 /nfs/dbraw/zinc/65/07/48/602650748.db2.gz JEPXJIGZQPVPHA-GFCCVEGCSA-N -1 3 350.850 3.029 20 0 FGADHM COc1ccc(COC(=O)C[C@@H](C)c2ccccc2)cc1-c1nnn[n-]1 ZINC000826205483 607593396 /nfs/dbraw/zinc/59/33/96/607593396.db2.gz XXPLDTGVORZWGD-CYBMUJFWSA-N -1 3 352.394 3.112 20 0 FGADHM COc1ccc(COC(=O)C[C@@H](C)c2ccccc2)cc1-c1nn[n-]n1 ZINC000826205483 607593398 /nfs/dbraw/zinc/59/33/98/607593398.db2.gz XXPLDTGVORZWGD-CYBMUJFWSA-N -1 3 352.394 3.112 20 0 FGADHM O=C([O-])NC1(CNCc2ccc(Br)cn2)CCCCCC1 ZINC000740548844 603036849 /nfs/dbraw/zinc/03/68/49/603036849.db2.gz XECKFKVOSHWXPB-UHFFFAOYSA-N -1 3 356.264 3.294 20 0 FGADHM Cc1cc(C)c(NC(=O)CN[C@](C)(CNC(=O)[O-])C(C)C)c(Cl)c1 ZINC000740065760 603078842 /nfs/dbraw/zinc/07/88/42/603078842.db2.gz NGPFLDPUFMIDKX-QGZVFWFLSA-N -1 3 355.866 3.167 20 0 FGADHM O=C([O-])Nc1cc(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)ccc1F ZINC000740695214 603176198 /nfs/dbraw/zinc/17/61/98/603176198.db2.gz FGRJLQLBRNUEGK-INIZCTEOSA-N -1 3 371.412 3.310 20 0 FGADHM CN(C)C[C@H](NC(=O)Nc1ccccc1CN(C)C(=O)[O-])c1ccccc1 ZINC000739608998 603341485 /nfs/dbraw/zinc/34/14/85/603341485.db2.gz ZAOYXFSDXAGBRA-SFHVURJKSA-N -1 3 370.453 3.221 20 0 FGADHM Cc1ccc(C(=O)N(CCN(C)C)Cc2ccccc2)cc1NC(=O)[O-] ZINC000830188092 603428629 /nfs/dbraw/zinc/42/86/29/603428629.db2.gz VPNKYWRJOICTIK-UHFFFAOYSA-N -1 3 355.438 3.289 20 0 FGADHM O=C([O-])N[C@H]1CCN(CCC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000832386885 603559415 /nfs/dbraw/zinc/55/94/15/603559415.db2.gz QVRIAGQHWRJICL-INIZCTEOSA-N -1 3 369.421 3.149 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1CN1CC[C@@H]1c1ccc(Cl)cc1 ZINC000826182139 607637570 /nfs/dbraw/zinc/63/75/70/607637570.db2.gz AVFNUAOEUYFHFQ-MRXNPFEDSA-N -1 3 355.829 3.476 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NCCCSc1ccccc1 ZINC000826248586 607650371 /nfs/dbraw/zinc/65/03/71/607650371.db2.gz OLWABKGPHQVNSZ-UHFFFAOYSA-N -1 3 353.451 3.087 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NCCCSc1ccccc1 ZINC000826248586 607650373 /nfs/dbraw/zinc/65/03/73/607650373.db2.gz OLWABKGPHQVNSZ-UHFFFAOYSA-N -1 3 353.451 3.087 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(C)[C@@H](C)c1c(F)cccc1F ZINC000826243305 607660306 /nfs/dbraw/zinc/66/03/06/607660306.db2.gz CDPHEMRRVRAQMT-NSHDSACASA-N -1 3 357.364 3.287 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(C)[C@@H](C)c1c(F)cccc1F ZINC000826243305 607660308 /nfs/dbraw/zinc/66/03/08/607660308.db2.gz CDPHEMRRVRAQMT-NSHDSACASA-N -1 3 357.364 3.287 20 0 FGADHM CCOc1ccc(N(CC)C(=O)c2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000825638374 607661533 /nfs/dbraw/zinc/66/15/33/607661533.db2.gz KHMXXLPWHPUMPL-UHFFFAOYSA-N -1 3 351.410 3.241 20 0 FGADHM CCOc1ccc(N(CC)C(=O)c2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000825638374 607661535 /nfs/dbraw/zinc/66/15/35/607661535.db2.gz KHMXXLPWHPUMPL-UHFFFAOYSA-N -1 3 351.410 3.241 20 0 FGADHM CN(C)[C@@H](CNC(=O)Nc1cccc2c1CCN2C(=O)[O-])c1ccccc1 ZINC000827996211 603977398 /nfs/dbraw/zinc/97/73/98/603977398.db2.gz VVHAAMHWEMFXMC-SFHVURJKSA-N -1 3 368.437 3.152 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(Cc1ccco1)C1CCCC1 ZINC000826244118 607667945 /nfs/dbraw/zinc/66/79/45/607667945.db2.gz HRAYIXRJUNRJSS-UHFFFAOYSA-N -1 3 351.410 3.353 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(Cc1ccco1)C1CCCC1 ZINC000826244118 607667946 /nfs/dbraw/zinc/66/79/46/607667946.db2.gz HRAYIXRJUNRJSS-UHFFFAOYSA-N -1 3 351.410 3.353 20 0 FGADHM COc1ccc(NC(=O)N(CCN(C)C)C2CCCC2)cc1NC(=O)[O-] ZINC000829460842 604072521 /nfs/dbraw/zinc/07/25/21/604072521.db2.gz PHOBHFLXOSYCKK-UHFFFAOYSA-N -1 3 364.446 3.123 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@@H]1CCc2cc(Cl)ccc21 ZINC000826247961 607670684 /nfs/dbraw/zinc/67/06/84/607670684.db2.gz RVGHWCGOZNJYJI-MRXNPFEDSA-N -1 3 353.813 3.246 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@@H]1CCc2cc(Cl)ccc21 ZINC000826247961 607670686 /nfs/dbraw/zinc/67/06/86/607670686.db2.gz RVGHWCGOZNJYJI-MRXNPFEDSA-N -1 3 353.813 3.246 20 0 FGADHM O=C(Nc1ccc(Cl)cc1)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826453658 607674365 /nfs/dbraw/zinc/67/43/65/607674365.db2.gz UQQJVHSODWOCCH-UHFFFAOYSA-N -1 3 354.801 3.331 20 0 FGADHM O=C(Nc1ccc(Cl)cc1)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826453658 607674367 /nfs/dbraw/zinc/67/43/67/607674367.db2.gz UQQJVHSODWOCCH-UHFFFAOYSA-N -1 3 354.801 3.331 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CC2(CCC2)c2c1cccc2F ZINC000826244358 607680150 /nfs/dbraw/zinc/68/01/50/607680150.db2.gz PFLYXDLMTXTZEF-UHFFFAOYSA-N -1 3 363.396 3.396 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CC2(CCC2)c2c1cccc2F ZINC000826244358 607680153 /nfs/dbraw/zinc/68/01/53/607680153.db2.gz PFLYXDLMTXTZEF-UHFFFAOYSA-N -1 3 363.396 3.396 20 0 FGADHM Clc1cc(C=Cc2cn[nH]c2)c(-c2nnn[n-]2)c2nc3ccccc3n21 ZINC000826350936 607681748 /nfs/dbraw/zinc/68/17/48/607681748.db2.gz QUNLHXJXNWSFCR-WAYWQWQTSA-N -1 3 362.784 3.215 20 0 FGADHM Clc1cc(C=Cc2cn[nH]c2)c(-c2nn[n-]n2)c2nc3ccccc3n21 ZINC000826350936 607681750 /nfs/dbraw/zinc/68/17/50/607681750.db2.gz QUNLHXJXNWSFCR-WAYWQWQTSA-N -1 3 362.784 3.215 20 0 FGADHM Cc1ccc(CN(C)C)cc1NC(=O)C[C@H](C)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000830307238 604391560 /nfs/dbraw/zinc/39/15/60/604391560.db2.gz AGRSVUXQQWXPFC-DOTOQJQBSA-N -1 3 361.486 3.411 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1c2ccccc2N(C)CC[C@H]1C ZINC000826245536 607694679 /nfs/dbraw/zinc/69/46/79/607694679.db2.gz ARMBUPQLPWGJRU-CQSZACIVSA-N -1 3 362.437 3.050 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1c2ccccc2N(C)CC[C@H]1C ZINC000826245536 607694680 /nfs/dbraw/zinc/69/46/80/607694680.db2.gz ARMBUPQLPWGJRU-CQSZACIVSA-N -1 3 362.437 3.050 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccc(OC2CCC2)c(F)c1 ZINC000826250018 607700772 /nfs/dbraw/zinc/70/07/72/607700772.db2.gz GITIVFGGQDBNAW-UHFFFAOYSA-N -1 3 367.384 3.498 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccc(OC2CCC2)c(F)c1 ZINC000826250018 607700773 /nfs/dbraw/zinc/70/07/73/607700773.db2.gz GITIVFGGQDBNAW-UHFFFAOYSA-N -1 3 367.384 3.498 20 0 FGADHM Cc1cnn(-c2ccc(C)cc2NC(=O)c2ccc(-c3nnn[n-]3)cc2C)c1 ZINC000826280742 607711262 /nfs/dbraw/zinc/71/12/62/607711262.db2.gz NZAANOOLARRIEY-UHFFFAOYSA-N -1 3 373.420 3.230 20 0 FGADHM Cc1cnn(-c2ccc(C)cc2NC(=O)c2ccc(-c3nn[n-]n3)cc2C)c1 ZINC000826280742 607711265 /nfs/dbraw/zinc/71/12/65/607711265.db2.gz NZAANOOLARRIEY-UHFFFAOYSA-N -1 3 373.420 3.230 20 0 FGADHM C[C@@H](CN(CC(=O)N(C)[C@@H](C)c1cc2ccccc2o1)C1CC1)C(=O)[O-] ZINC000827449865 604745382 /nfs/dbraw/zinc/74/53/82/604745382.db2.gz PDQRQCNBKBIKHN-KBPBESRZSA-N -1 3 358.438 3.137 20 0 FGADHM O=C([O-])[C@@H](O)C1CCN(Cc2c(OC(F)F)ccc3ccccc32)CC1 ZINC000833770702 604759947 /nfs/dbraw/zinc/75/99/47/604759947.db2.gz LVBJNVFNRRYUQO-KRWDZBQOSA-N -1 3 365.376 3.099 20 0 FGADHM COc1ccccc1[C@@H](CN[C@@H](C)c1cccc(NC(C)=O)c1)NC(=O)[O-] ZINC000829597101 604760411 /nfs/dbraw/zinc/76/04/11/604760411.db2.gz FIGFLKJMTVMSJI-SCLBCKFNSA-N -1 3 371.437 3.313 20 0 FGADHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CCCCC(F)(F)F ZINC000826335031 607713689 /nfs/dbraw/zinc/71/36/89/607713689.db2.gz UWPZSLDAHAXVLC-UHFFFAOYSA-N -1 3 351.336 3.166 20 0 FGADHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CCCCC(F)(F)F ZINC000826335031 607713691 /nfs/dbraw/zinc/71/36/91/607713691.db2.gz UWPZSLDAHAXVLC-UHFFFAOYSA-N -1 3 351.336 3.166 20 0 FGADHM CCc1oc(C(=O)[O-])cc1CN1CCC2(C[C@@H]2C(=O)N2CCCCC2)CC1 ZINC000833679216 604855913 /nfs/dbraw/zinc/85/59/13/604855913.db2.gz WTABPWQLBOGFDG-MRXNPFEDSA-N -1 3 374.481 3.155 20 0 FGADHM C[C@@H]1[C@H](c2ccccc2)c2ccccc2CCN1Cn1cnc(C(=O)[O-])n1 ZINC000828149638 604974508 /nfs/dbraw/zinc/97/45/08/604974508.db2.gz LTHPMCOHRBDVKV-DNVCBOLYSA-N -1 3 362.433 3.013 20 0 FGADHM C[C@H](c1ccc(C(=O)[O-])o1)N1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000833546484 605037167 /nfs/dbraw/zinc/03/71/67/605037167.db2.gz HFEKLZOTWWRIDE-KGLIPLIRSA-N -1 3 358.442 3.236 20 0 FGADHM C[C@]1(NCc2nc(-c3cc(F)c(F)c(F)c3)no2)CCCC[C@H]1C(=O)[O-] ZINC000833570465 605071390 /nfs/dbraw/zinc/07/13/90/605071390.db2.gz TXVVAIAPQAWUAK-BTDLBPIBSA-N -1 3 369.343 3.277 20 0 FGADHM C[C@]1(NCc2nc(-c3cc(F)c(F)c(F)c3)no2)CCCC[C@@H]1C(=O)[O-] ZINC000833570469 605071542 /nfs/dbraw/zinc/07/15/42/605071542.db2.gz TXVVAIAPQAWUAK-QGHHPUGFSA-N -1 3 369.343 3.277 20 0 FGADHM COc1cccc(CN(Cc2ccc(C(=O)[O-])[nH]2)C2CCC(O)CC2)c1 ZINC000833735751 605108318 /nfs/dbraw/zinc/10/83/18/605108318.db2.gz UXOXCZSAUZCHMS-UHFFFAOYSA-N -1 3 358.438 3.027 20 0 FGADHM Clc1ccccc1OCCNc1ncc(-c2nnn[n-]2)cc1Cl ZINC000826353780 607736648 /nfs/dbraw/zinc/73/66/48/607736648.db2.gz DBWMWFVXYAHKDW-UHFFFAOYSA-N -1 3 351.197 3.059 20 0 FGADHM Clc1ccccc1OCCNc1ncc(-c2nn[n-]n2)cc1Cl ZINC000826353780 607736649 /nfs/dbraw/zinc/73/66/49/607736649.db2.gz DBWMWFVXYAHKDW-UHFFFAOYSA-N -1 3 351.197 3.059 20 0 FGADHM c1cc(-c2nnn[n-]2)ccc1CN(Cc1nc(C2CCCC2)no1)C1CC1 ZINC000826513695 607739296 /nfs/dbraw/zinc/73/92/96/607739296.db2.gz TUCBGGQIRFCUFI-UHFFFAOYSA-N -1 3 365.441 3.072 20 0 FGADHM c1cc(-c2nn[n-]n2)ccc1CN(Cc1nc(C2CCCC2)no1)C1CC1 ZINC000826513695 607739297 /nfs/dbraw/zinc/73/92/97/607739297.db2.gz TUCBGGQIRFCUFI-UHFFFAOYSA-N -1 3 365.441 3.072 20 0 FGADHM O=C([O-])N(CC(=O)NC[C@@H](c1cccs1)N1CCCC1)c1ccccc1 ZINC000831446781 605239333 /nfs/dbraw/zinc/23/93/33/605239333.db2.gz VZKLQUDIXDYAOT-INIZCTEOSA-N -1 3 373.478 3.186 20 0 FGADHM CC(C)C[C@H](NCC(=O)Nc1nc(CC(=O)[O-])cs1)c1ccccc1 ZINC000833482810 605258615 /nfs/dbraw/zinc/25/86/15/605258615.db2.gz IKECTORBPCYTJW-HNNXBMFYSA-N -1 3 361.467 3.086 20 0 FGADHM CC1=C(C(=O)[O-])C[C@@H](CN(Cc2ccccc2)C[C@@H](O)c2ccsc2)O1 ZINC000833585173 605353077 /nfs/dbraw/zinc/35/30/77/605353077.db2.gz VFXACXFPZBLMCZ-PKOBYXMFSA-N -1 3 373.474 3.431 20 0 FGADHM CC1=C(C(=O)[O-])C[C@H](CN2CCC(Oc3ccccc3Cl)CC2)O1 ZINC000833586071 605375504 /nfs/dbraw/zinc/37/55/04/605375504.db2.gz WSIBLFPBQYERLV-CQSZACIVSA-N -1 3 351.830 3.331 20 0 FGADHM CCCN(Cc1nc(-c2ccc(OC)cc2)no1)C1CCN(C(=O)[O-])CC1 ZINC000826916130 605474755 /nfs/dbraw/zinc/47/47/55/605474755.db2.gz GDUJNROQYFCZDV-UHFFFAOYSA-N -1 3 374.441 3.100 20 0 FGADHM CCN(CCC1CCN(C(=O)[O-])CC1)CC(=O)Nc1c(C)cccc1C ZINC000833857227 605606638 /nfs/dbraw/zinc/60/66/38/605606638.db2.gz HEJANPFRJWYSNW-UHFFFAOYSA-N -1 3 361.486 3.344 20 0 FGADHM CCc1ccc(NC(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1F ZINC000825711718 607768781 /nfs/dbraw/zinc/76/87/81/607768781.db2.gz FPFFODZPRUVZAO-LLVKDONJSA-N -1 3 354.389 3.451 20 0 FGADHM CCc1ccc(NC(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000825711718 607768782 /nfs/dbraw/zinc/76/87/82/607768782.db2.gz FPFFODZPRUVZAO-LLVKDONJSA-N -1 3 354.389 3.451 20 0 FGADHM Cc1ccoc1C(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000826315240 607771430 /nfs/dbraw/zinc/77/14/30/607771430.db2.gz CZXYKDRCXFPCLY-UHFFFAOYSA-N -1 3 352.379 3.144 20 0 FGADHM Cc1ccoc1C(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826315240 607771431 /nfs/dbraw/zinc/77/14/31/607771431.db2.gz CZXYKDRCXFPCLY-UHFFFAOYSA-N -1 3 352.379 3.144 20 0 FGADHM O=C([O-])Nc1ccccc1CC(=O)OCC1CCN(Cc2ccco2)CC1 ZINC000834273974 605828884 /nfs/dbraw/zinc/82/88/84/605828884.db2.gz DRHHSKDDXZDDED-UHFFFAOYSA-N -1 3 372.421 3.367 20 0 FGADHM CCOc1ccccc1Oc1ccc(CN[C@H]2CCN(C(=O)[O-])C2)cn1 ZINC000827466143 605837714 /nfs/dbraw/zinc/83/77/14/605837714.db2.gz XKEBMEDINGLGCG-HNNXBMFYSA-N -1 3 357.410 3.115 20 0 FGADHM C[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)cc2)[C@H]1c1cccc(F)c1 ZINC000820716709 606109950 /nfs/dbraw/zinc/10/99/50/606109950.db2.gz KMLWPRMGVQXJMG-SJKOYZFVSA-N -1 3 351.385 3.229 20 0 FGADHM C[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)cc2)[C@H]1c1cccc(F)c1 ZINC000820716709 606109951 /nfs/dbraw/zinc/10/99/51/606109951.db2.gz KMLWPRMGVQXJMG-SJKOYZFVSA-N -1 3 351.385 3.229 20 0 FGADHM C[C@@H](NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)[C@H](C)c1ccccc1 ZINC000820379772 606120411 /nfs/dbraw/zinc/12/04/11/606120411.db2.gz GWFXILDQHKHMDV-NWDGAFQWSA-N -1 3 354.389 3.320 20 0 FGADHM C[C@@H](NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)[C@H](C)c1ccccc1 ZINC000820379772 606120413 /nfs/dbraw/zinc/12/04/13/606120413.db2.gz GWFXILDQHKHMDV-NWDGAFQWSA-N -1 3 354.389 3.320 20 0 FGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N1CCCC[C@H]1c1nccs1 ZINC000823359188 606121143 /nfs/dbraw/zinc/12/11/43/606121143.db2.gz JVGJJHOMRZDGPM-ZDUSSCGKSA-N -1 3 355.427 3.082 20 0 FGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N1CCCC[C@H]1c1nccs1 ZINC000823359188 606121144 /nfs/dbraw/zinc/12/11/44/606121144.db2.gz JVGJJHOMRZDGPM-ZDUSSCGKSA-N -1 3 355.427 3.082 20 0 FGADHM Cc1cccn2cc(CCNc3cc(Cl)ccc3-c3nnn[n-]3)nc12 ZINC000822366509 606139381 /nfs/dbraw/zinc/13/93/81/606139381.db2.gz KUUQVHIOGRHBLI-UHFFFAOYSA-N -1 3 353.817 3.131 20 0 FGADHM Cc1cccn2cc(CCNc3cc(Cl)ccc3-c3nn[n-]n3)nc12 ZINC000822366509 606139382 /nfs/dbraw/zinc/13/93/82/606139382.db2.gz KUUQVHIOGRHBLI-UHFFFAOYSA-N -1 3 353.817 3.131 20 0 FGADHM C[C@@H](OC(=O)CC1CCCCCC1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000820488727 606149866 /nfs/dbraw/zinc/14/98/66/606149866.db2.gz SJUOBHXOICAQHN-CYBMUJFWSA-N -1 3 371.441 3.097 20 0 FGADHM C[C@@H](OC(=O)CC1CCCCCC1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000820488727 606149869 /nfs/dbraw/zinc/14/98/69/606149869.db2.gz SJUOBHXOICAQHN-CYBMUJFWSA-N -1 3 371.441 3.097 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C/C=C/c1ccc(F)cc1 ZINC000821406569 606150864 /nfs/dbraw/zinc/15/08/64/606150864.db2.gz IDUUXEWVEJQUMU-ONEGZZNKSA-N -1 3 367.384 3.447 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C/C=C/c1ccc(F)cc1 ZINC000821406569 606150865 /nfs/dbraw/zinc/15/08/65/606150865.db2.gz IDUUXEWVEJQUMU-ONEGZZNKSA-N -1 3 367.384 3.447 20 0 FGADHM O=C(OC1(C2CC2)CC1)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000823393312 606170348 /nfs/dbraw/zinc/17/03/48/606170348.db2.gz WVHSIYYUTDSUHU-UHFFFAOYSA-N -1 3 366.377 3.138 20 0 FGADHM c1cc2c(c(OCc3nnc(-c4ccc(-c5nnn[n-]5)cc4)o3)c1)CCCC2 ZINC000823766597 606179094 /nfs/dbraw/zinc/17/90/94/606179094.db2.gz FXAQQECRDFJISD-UHFFFAOYSA-N -1 3 374.404 3.375 20 0 FGADHM c1cc2c(c(OCc3nnc(-c4ccc(-c5nn[n-]n5)cc4)o3)c1)CCCC2 ZINC000823766597 606179095 /nfs/dbraw/zinc/17/90/95/606179095.db2.gz FXAQQECRDFJISD-UHFFFAOYSA-N -1 3 374.404 3.375 20 0 FGADHM Cc1cncc(NC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)c1 ZINC000822399392 606188785 /nfs/dbraw/zinc/18/87/85/606188785.db2.gz GCNBMPHNBQRYCX-UHFFFAOYSA-N -1 3 356.389 3.489 20 0 FGADHM Cc1cncc(NC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)c1 ZINC000822399392 606188788 /nfs/dbraw/zinc/18/87/88/606188788.db2.gz GCNBMPHNBQRYCX-UHFFFAOYSA-N -1 3 356.389 3.489 20 0 FGADHM Cc1ccc(CCCC(=O)OCc2ccc(F)cc2-c2nnn[n-]2)s1 ZINC000822236245 606193117 /nfs/dbraw/zinc/19/31/17/606193117.db2.gz QGOMNKUVCJRDRS-UHFFFAOYSA-N -1 3 360.414 3.442 20 0 FGADHM Cc1ccc(CCCC(=O)OCc2ccc(F)cc2-c2nn[n-]n2)s1 ZINC000822236245 606193119 /nfs/dbraw/zinc/19/31/19/606193119.db2.gz QGOMNKUVCJRDRS-UHFFFAOYSA-N -1 3 360.414 3.442 20 0 FGADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N(Cc1ccsc1)c1ccccc1 ZINC000822622633 606241811 /nfs/dbraw/zinc/24/18/11/606241811.db2.gz GDWLOQOTOBETNG-UHFFFAOYSA-N -1 3 364.434 3.114 20 0 FGADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N(Cc1ccsc1)c1ccccc1 ZINC000822622633 606241812 /nfs/dbraw/zinc/24/18/12/606241812.db2.gz GDWLOQOTOBETNG-UHFFFAOYSA-N -1 3 364.434 3.114 20 0 FGADHM C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000820561910 606254027 /nfs/dbraw/zinc/25/40/27/606254027.db2.gz BNSDCKILDPXAJA-SECBINFHSA-N -1 3 364.331 3.047 20 0 FGADHM C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000820561910 606254028 /nfs/dbraw/zinc/25/40/28/606254028.db2.gz BNSDCKILDPXAJA-SECBINFHSA-N -1 3 364.331 3.047 20 0 FGADHM C[C@H]1C[C@@H]1CNC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000820668588 606256359 /nfs/dbraw/zinc/25/63/59/606256359.db2.gz VCRVIAOXWKFSIM-GXTWGEPZSA-N -1 3 365.462 3.404 20 0 FGADHM C[C@H]1C[C@@H]1CNC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000820668588 606256360 /nfs/dbraw/zinc/25/63/60/606256360.db2.gz VCRVIAOXWKFSIM-GXTWGEPZSA-N -1 3 365.462 3.404 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)c1cc(-c2cccc(F)c2)no1 ZINC000823344572 606269286 /nfs/dbraw/zinc/26/92/86/606269286.db2.gz XTVRXDXDVXWSJG-UHFFFAOYSA-N -1 3 368.303 3.052 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)c1cc(-c2cccc(F)c2)no1 ZINC000823344572 606269289 /nfs/dbraw/zinc/26/92/89/606269289.db2.gz XTVRXDXDVXWSJG-UHFFFAOYSA-N -1 3 368.303 3.052 20 0 FGADHM CC(C)c1ccccc1OCC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820197551 606269684 /nfs/dbraw/zinc/26/96/84/606269684.db2.gz LOVWIXDRHQPESE-UHFFFAOYSA-N -1 3 355.373 3.147 20 0 FGADHM CC(C)c1ccccc1OCC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820197551 606269685 /nfs/dbraw/zinc/26/96/85/606269685.db2.gz LOVWIXDRHQPESE-UHFFFAOYSA-N -1 3 355.373 3.147 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H](C)c1cccs1 ZINC000821118130 606281411 /nfs/dbraw/zinc/28/14/11/606281411.db2.gz HZVZPDPDWLCOTI-LLVKDONJSA-N -1 3 356.455 3.492 20 0 FGADHM COC(=O)[C@H](NCc1cccc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000821645197 606304049 /nfs/dbraw/zinc/30/40/49/606304049.db2.gz TYZJGFIVUAGDLT-LJQANCHMSA-N -1 3 373.416 3.024 20 0 FGADHM COC(=O)[C@H](NCc1cccc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000821645197 606304051 /nfs/dbraw/zinc/30/40/51/606304051.db2.gz TYZJGFIVUAGDLT-LJQANCHMSA-N -1 3 373.416 3.024 20 0 FGADHM Cc1ccc(S[C@@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)cc1C ZINC000822267459 606310621 /nfs/dbraw/zinc/31/06/21/606310621.db2.gz ULXHUKXUUTWPBV-CQSZACIVSA-N -1 3 371.491 3.443 20 0 FGADHM Cc1ccc(S[C@@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)cc1C ZINC000822267459 606310622 /nfs/dbraw/zinc/31/06/22/606310622.db2.gz ULXHUKXUUTWPBV-CQSZACIVSA-N -1 3 371.491 3.443 20 0 FGADHM Cc1nc(Cl)sc1C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000822449708 606313779 /nfs/dbraw/zinc/31/37/79/606313779.db2.gz LBSHJDVOEPGHKH-UHFFFAOYSA-N -1 3 374.857 3.090 20 0 FGADHM Cc1nc(Cl)sc1C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000822449708 606313781 /nfs/dbraw/zinc/31/37/81/606313781.db2.gz LBSHJDVOEPGHKH-UHFFFAOYSA-N -1 3 374.857 3.090 20 0 FGADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N(CCc1ccccc1)Cc1ccccc1 ZINC000823460036 606314652 /nfs/dbraw/zinc/31/46/52/606314652.db2.gz GJILYWRMOGOGET-UHFFFAOYSA-N -1 3 372.432 3.080 20 0 FGADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N(CCc1ccccc1)Cc1ccccc1 ZINC000823460036 606314653 /nfs/dbraw/zinc/31/46/53/606314653.db2.gz GJILYWRMOGOGET-UHFFFAOYSA-N -1 3 372.432 3.080 20 0 FGADHM C[C@@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)NCCC1=CCCCC1 ZINC000820555838 606323785 /nfs/dbraw/zinc/32/37/85/606323785.db2.gz QBAYYSRBKLESOT-CYBMUJFWSA-N -1 3 357.483 3.354 20 0 FGADHM C[C@@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)NCCC1=CCCCC1 ZINC000820555838 606323788 /nfs/dbraw/zinc/32/37/88/606323788.db2.gz QBAYYSRBKLESOT-CYBMUJFWSA-N -1 3 357.483 3.354 20 0 FGADHM O=C(NC1CC1)[C@H](Sc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC000823144391 606326392 /nfs/dbraw/zinc/32/63/92/606326392.db2.gz GKDKETBXLUJEHU-MRXNPFEDSA-N -1 3 369.425 3.118 20 0 FGADHM O=C(NC1CC1)[C@H](Sc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC000823144391 606326394 /nfs/dbraw/zinc/32/63/94/606326394.db2.gz GKDKETBXLUJEHU-MRXNPFEDSA-N -1 3 369.425 3.118 20 0 FGADHM C[C@@H](OC(=O)CCC(=O)c1cccs1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820488765 606338483 /nfs/dbraw/zinc/33/84/83/606338483.db2.gz UBEWZNFKVVGIEF-LLVKDONJSA-N -1 3 356.407 3.196 20 0 FGADHM C[C@@H](OC(=O)CCC(=O)c1cccs1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820488765 606338484 /nfs/dbraw/zinc/33/84/84/606338484.db2.gz UBEWZNFKVVGIEF-LLVKDONJSA-N -1 3 356.407 3.196 20 0 FGADHM Cc1ncc(C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c(C(C)C)n1 ZINC000822468067 606343680 /nfs/dbraw/zinc/34/36/80/606343680.db2.gz WTUBHNCLPNGTLQ-LLVKDONJSA-N -1 3 352.398 3.007 20 0 FGADHM Cc1ncc(C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c(C(C)C)n1 ZINC000822468067 606343682 /nfs/dbraw/zinc/34/36/82/606343682.db2.gz WTUBHNCLPNGTLQ-LLVKDONJSA-N -1 3 352.398 3.007 20 0 FGADHM COc1ccc(Cl)cc1C(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821825286 606344901 /nfs/dbraw/zinc/34/49/01/606344901.db2.gz VRZFZTVIDPETFO-JTQLQIEISA-N -1 3 358.785 3.447 20 0 FGADHM COc1ccc(Cl)cc1C(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821825286 606344902 /nfs/dbraw/zinc/34/49/02/606344902.db2.gz VRZFZTVIDPETFO-JTQLQIEISA-N -1 3 358.785 3.447 20 0 FGADHM C[C@H](OC(=O)[C@H]1C[C@@]12CCc1ccccc12)c1ccc(-c2nnn[n-]2)cc1 ZINC000820486350 606350707 /nfs/dbraw/zinc/35/07/07/606350707.db2.gz AQDHYXICCVBKHS-WMHILYHISA-N -1 3 360.417 3.375 20 0 FGADHM C[C@H](OC(=O)[C@H]1C[C@@]12CCc1ccccc12)c1ccc(-c2nn[n-]n2)cc1 ZINC000820486350 606350709 /nfs/dbraw/zinc/35/07/09/606350709.db2.gz AQDHYXICCVBKHS-WMHILYHISA-N -1 3 360.417 3.375 20 0 FGADHM C[C@H](OC(=O)[C@@H]1C[C@@]12CCc1ccccc12)c1ccc(-c2nnn[n-]2)cc1 ZINC000820486347 606350741 /nfs/dbraw/zinc/35/07/41/606350741.db2.gz AQDHYXICCVBKHS-LTBCBRHQSA-N -1 3 360.417 3.375 20 0 FGADHM C[C@H](OC(=O)[C@@H]1C[C@@]12CCc1ccccc12)c1ccc(-c2nn[n-]n2)cc1 ZINC000820486347 606350742 /nfs/dbraw/zinc/35/07/42/606350742.db2.gz AQDHYXICCVBKHS-LTBCBRHQSA-N -1 3 360.417 3.375 20 0 FGADHM CC[C@@H](NC(=O)Nc1ccc(F)cc1-c1nnn[n-]1)c1nc(C)cs1 ZINC000820921049 606352777 /nfs/dbraw/zinc/35/27/77/606352777.db2.gz VHWSOSCOUFQCLK-LLVKDONJSA-N -1 3 361.406 3.044 20 0 FGADHM CC[C@@H](NC(=O)Nc1ccc(F)cc1-c1nn[n-]n1)c1nc(C)cs1 ZINC000820921049 606352779 /nfs/dbraw/zinc/35/27/79/606352779.db2.gz VHWSOSCOUFQCLK-LLVKDONJSA-N -1 3 361.406 3.044 20 0 FGADHM C[C@H](OC(=O)c1ccc(Cl)nc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000820512933 606352893 /nfs/dbraw/zinc/35/28/93/606352893.db2.gz PWUIZCVDXPSECG-QMMMGPOBSA-N -1 3 364.192 3.487 20 0 FGADHM C[C@H](OC(=O)c1ccc(Cl)nc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000820512933 606352894 /nfs/dbraw/zinc/35/28/94/606352894.db2.gz PWUIZCVDXPSECG-QMMMGPOBSA-N -1 3 364.192 3.487 20 0 FGADHM Cc1cccc(C)c1OCC(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000822294231 606353567 /nfs/dbraw/zinc/35/35/67/606353567.db2.gz WKDAGKUNMOYTKT-CQSZACIVSA-N -1 3 352.394 3.167 20 0 FGADHM Cc1cccc(C)c1OCC(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000822294231 606353568 /nfs/dbraw/zinc/35/35/68/606353568.db2.gz WKDAGKUNMOYTKT-CQSZACIVSA-N -1 3 352.394 3.167 20 0 FGADHM C[C@@H](OC(=O)c1cnc(Cl)c(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820518530 606354696 /nfs/dbraw/zinc/35/46/96/606354696.db2.gz GIZNPWVXOZCIRF-MRVPVSSYSA-N -1 3 364.192 3.487 20 0 FGADHM C[C@@H](OC(=O)c1cnc(Cl)c(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820518530 606354698 /nfs/dbraw/zinc/35/46/98/606354698.db2.gz GIZNPWVXOZCIRF-MRVPVSSYSA-N -1 3 364.192 3.487 20 0 FGADHM C[C@H]1c2ccccc2CCN1C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820825779 606355578 /nfs/dbraw/zinc/35/55/78/606355578.db2.gz DCEBUDGCOPDBIA-NSHDSACASA-N -1 3 352.373 3.157 20 0 FGADHM C[C@H]1c2ccccc2CCN1C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820825779 606355579 /nfs/dbraw/zinc/35/55/79/606355579.db2.gz DCEBUDGCOPDBIA-NSHDSACASA-N -1 3 352.373 3.157 20 0 FGADHM C[C@H](OC(=O)Cc1c[nH]c2ccc(F)cc12)c1ccc(-c2nnn[n-]2)cc1 ZINC000820495656 606356066 /nfs/dbraw/zinc/35/60/66/606356066.db2.gz IQQTWFCHBFTDON-NSHDSACASA-N -1 3 365.368 3.334 20 0 FGADHM C[C@H](OC(=O)Cc1c[nH]c2ccc(F)cc12)c1ccc(-c2nn[n-]n2)cc1 ZINC000820495656 606356067 /nfs/dbraw/zinc/35/60/67/606356067.db2.gz IQQTWFCHBFTDON-NSHDSACASA-N -1 3 365.368 3.334 20 0 FGADHM CSc1ccc(CNC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000821979330 606356329 /nfs/dbraw/zinc/35/63/29/606356329.db2.gz QVZOZDWOSHLPFC-UHFFFAOYSA-N -1 3 358.402 3.049 20 0 FGADHM CSc1ccc(CNC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000821979330 606356331 /nfs/dbraw/zinc/35/63/31/606356331.db2.gz QVZOZDWOSHLPFC-UHFFFAOYSA-N -1 3 358.402 3.049 20 0 FGADHM CS/C=C\C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821955724 606360803 /nfs/dbraw/zinc/36/08/03/606360803.db2.gz AEFNHYXVMXRHBQ-KTKRTIGZSA-N -1 3 353.407 3.474 20 0 FGADHM CS/C=C\C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821955724 606360805 /nfs/dbraw/zinc/36/08/05/606360805.db2.gz AEFNHYXVMXRHBQ-KTKRTIGZSA-N -1 3 353.407 3.474 20 0 FGADHM O=C(N[C@H]1CCCSC1)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000823150702 606365168 /nfs/dbraw/zinc/36/51/68/606365168.db2.gz SCLMHUULIORUTR-ZDUSSCGKSA-N -1 3 365.462 3.159 20 0 FGADHM O=C(N[C@H]1CCCSC1)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000823150702 606365169 /nfs/dbraw/zinc/36/51/69/606365169.db2.gz SCLMHUULIORUTR-ZDUSSCGKSA-N -1 3 365.462 3.159 20 0 FGADHM CCS[C@H]1CCC[C@H](NC(=O)Nc2cc(-c3nnn[n-]3)ccc2C)C1 ZINC000821455836 606382528 /nfs/dbraw/zinc/38/25/28/606382528.db2.gz MANFIDBDOUMBGA-KBPBESRZSA-N -1 3 360.487 3.361 20 0 FGADHM CCS[C@H]1CCC[C@H](NC(=O)Nc2cc(-c3nn[n-]n3)ccc2C)C1 ZINC000821455836 606382530 /nfs/dbraw/zinc/38/25/30/606382530.db2.gz MANFIDBDOUMBGA-KBPBESRZSA-N -1 3 360.487 3.361 20 0 FGADHM COc1ccc2cc(C(=O)O[C@H](C)c3ccc(-c4nnn[n-]4)cc3)[nH]c2c1 ZINC000821854625 606397160 /nfs/dbraw/zinc/39/71/60/606397160.db2.gz PNVYOCNXWUBOTH-LLVKDONJSA-N -1 3 363.377 3.275 20 0 FGADHM COc1ccc2cc(C(=O)O[C@H](C)c3ccc(-c4nn[n-]n4)cc3)[nH]c2c1 ZINC000821854625 606397162 /nfs/dbraw/zinc/39/71/62/606397162.db2.gz PNVYOCNXWUBOTH-LLVKDONJSA-N -1 3 363.377 3.275 20 0 FGADHM Cc1c2ccccc2oc1[C@H](C)OC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000822020374 606407837 /nfs/dbraw/zinc/40/78/37/606407837.db2.gz AZRRDLSCEARNKY-NSHDSACASA-N -1 3 351.366 3.178 20 0 FGADHM Cc1c2ccccc2oc1[C@H](C)OC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000822020374 606407839 /nfs/dbraw/zinc/40/78/39/606407839.db2.gz AZRRDLSCEARNKY-NSHDSACASA-N -1 3 351.366 3.178 20 0 FGADHM CCSc1cc(C(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)ccn1 ZINC000821461010 606414367 /nfs/dbraw/zinc/41/43/67/606414367.db2.gz JDLVTZVCMCOBKE-UHFFFAOYSA-N -1 3 374.857 3.304 20 0 FGADHM CCSc1cc(C(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)ccn1 ZINC000821461010 606414369 /nfs/dbraw/zinc/41/43/69/606414369.db2.gz JDLVTZVCMCOBKE-UHFFFAOYSA-N -1 3 374.857 3.304 20 0 FGADHM Fc1cccc(OC(F)F)c1CNc1cccc(F)c1-c1nnn[n-]1 ZINC000822791016 606420388 /nfs/dbraw/zinc/42/03/88/606420388.db2.gz DQCWXEFOZFGWJS-UHFFFAOYSA-N -1 3 353.279 3.358 20 0 FGADHM Fc1cccc(OC(F)F)c1CNc1cccc(F)c1-c1nn[n-]n1 ZINC000822791016 606420390 /nfs/dbraw/zinc/42/03/90/606420390.db2.gz DQCWXEFOZFGWJS-UHFFFAOYSA-N -1 3 353.279 3.358 20 0 FGADHM Fc1cccc(OC(F)F)c1CNc1c(F)cc(-c2nnn[n-]2)cc1F ZINC000822791975 606420530 /nfs/dbraw/zinc/42/05/30/606420530.db2.gz OWLGJKMUYCUDQB-UHFFFAOYSA-N -1 3 371.269 3.498 20 0 FGADHM Fc1cccc(OC(F)F)c1CNc1c(F)cc(-c2nn[n-]n2)cc1F ZINC000822791975 606420532 /nfs/dbraw/zinc/42/05/32/606420532.db2.gz OWLGJKMUYCUDQB-UHFFFAOYSA-N -1 3 371.269 3.498 20 0 FGADHM O=C(Nc1ccccc1)c1cccc(Oc2ncccc2-c2nnn[n-]2)c1 ZINC000823368039 606430911 /nfs/dbraw/zinc/43/09/11/606430911.db2.gz SHVBWMZYVMJNJK-UHFFFAOYSA-N -1 3 358.361 3.306 20 0 FGADHM Cc1cc([C@@H](C)NC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)ccc1F ZINC000822191984 606442361 /nfs/dbraw/zinc/44/23/61/606442361.db2.gz WFORUUVJVSSZNV-CHWSQXEVSA-N -1 3 368.416 3.436 20 0 FGADHM Cc1cc([C@@H](C)NC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)ccc1F ZINC000822191984 606442363 /nfs/dbraw/zinc/44/23/63/606442363.db2.gz WFORUUVJVSSZNV-CHWSQXEVSA-N -1 3 368.416 3.436 20 0 FGADHM COc1ccc([C@H]2CCCN2c2ccc(F)cc2-c2nnn[n-]2)c(OC)c1 ZINC000821787692 606443357 /nfs/dbraw/zinc/44/33/57/606443357.db2.gz YBPMGDCRPKHEKQ-MRXNPFEDSA-N -1 3 369.400 3.365 20 0 FGADHM COc1ccc([C@H]2CCCN2c2ccc(F)cc2-c2nn[n-]n2)c(OC)c1 ZINC000821787692 606443358 /nfs/dbraw/zinc/44/33/58/606443358.db2.gz YBPMGDCRPKHEKQ-MRXNPFEDSA-N -1 3 369.400 3.365 20 0 FGADHM C[C@H](NC(=O)CCc1ccc(-c2nnn[n-]2)cc1)c1c(F)cccc1Cl ZINC000820327777 606444278 /nfs/dbraw/zinc/44/42/78/606444278.db2.gz KAKSDZTYRYJZOB-NSHDSACASA-N -1 3 373.819 3.469 20 0 FGADHM C[C@H](NC(=O)CCc1ccc(-c2nn[n-]n2)cc1)c1c(F)cccc1Cl ZINC000820327777 606444281 /nfs/dbraw/zinc/44/42/81/606444281.db2.gz KAKSDZTYRYJZOB-NSHDSACASA-N -1 3 373.819 3.469 20 0 FGADHM O=C(c1cccc(-c2nnn[n-]2)c1)N1CCC(c2cccc(F)c2)CC1 ZINC000823488693 606449053 /nfs/dbraw/zinc/44/90/53/606449053.db2.gz SFUSSINCTZRKFU-UHFFFAOYSA-N -1 3 351.385 3.026 20 0 FGADHM O=C(c1cccc(-c2nn[n-]n2)c1)N1CCC(c2cccc(F)c2)CC1 ZINC000823488693 606449055 /nfs/dbraw/zinc/44/90/55/606449055.db2.gz SFUSSINCTZRKFU-UHFFFAOYSA-N -1 3 351.385 3.026 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NCc1cnn(-c2ccccc2)c1 ZINC000821412159 606450151 /nfs/dbraw/zinc/45/01/51/606450151.db2.gz IWPOOHUNIZFEPE-UHFFFAOYSA-N -1 3 361.409 3.063 20 0 FGADHM Fc1ccc(OC[C@@H]2CCCO2)c(NCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822782751 606459319 /nfs/dbraw/zinc/45/93/19/606459319.db2.gz FIMYXKKIDJEVNV-INIZCTEOSA-N -1 3 369.400 3.176 20 0 FGADHM Fc1ccc(OC[C@@H]2CCCO2)c(NCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822782751 606459320 /nfs/dbraw/zinc/45/93/20/606459320.db2.gz FIMYXKKIDJEVNV-INIZCTEOSA-N -1 3 369.400 3.176 20 0 FGADHM CCO[C@@H]1C[C@@H](OC(=O)c2cc(-c3nnn[n-]3)cs2)C1(CC)CC ZINC000821358963 606468808 /nfs/dbraw/zinc/46/88/08/606468808.db2.gz LWPLDAQWGJOSNC-CHWSQXEVSA-N -1 3 350.444 3.069 20 0 FGADHM CCO[C@@H]1C[C@@H](OC(=O)c2cc(-c3nn[n-]n3)cs2)C1(CC)CC ZINC000821358963 606468810 /nfs/dbraw/zinc/46/88/10/606468810.db2.gz LWPLDAQWGJOSNC-CHWSQXEVSA-N -1 3 350.444 3.069 20 0 FGADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)O[C@@H](C1CCCC1)C(F)(F)F ZINC000822977861 606471051 /nfs/dbraw/zinc/47/10/51/606471051.db2.gz AHVZHQHTOVNHNJ-HNNXBMFYSA-N -1 3 368.359 3.464 20 0 FGADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)O[C@@H](C1CCCC1)C(F)(F)F ZINC000822977861 606471053 /nfs/dbraw/zinc/47/10/53/606471053.db2.gz AHVZHQHTOVNHNJ-HNNXBMFYSA-N -1 3 368.359 3.464 20 0 FGADHM CC(C)[C@H]1OCC[C@@H]1CNc1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21 ZINC000820043918 606473333 /nfs/dbraw/zinc/47/33/33/606473333.db2.gz CONZPQUEMJPUGK-BMLIUANNSA-N -1 3 374.395 3.166 20 0 FGADHM CC(C)[C@H]1OCC[C@@H]1CNc1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21 ZINC000820043918 606473334 /nfs/dbraw/zinc/47/33/34/606473334.db2.gz CONZPQUEMJPUGK-BMLIUANNSA-N -1 3 374.395 3.166 20 0 FGADHM CN(Cc1cccc(F)c1)Cc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000821613686 606480185 /nfs/dbraw/zinc/48/01/85/606480185.db2.gz YTLAUFGERLWRSA-UHFFFAOYSA-N -1 3 363.343 3.239 20 0 FGADHM C[C@H](NC(=O)c1cc(-c2nnn[n-]2)cs1)c1ccc2c(c1)CCCC2 ZINC000820390504 606483014 /nfs/dbraw/zinc/48/30/14/606483014.db2.gz HTCGEWJLLAEPFD-NSHDSACASA-N -1 3 353.451 3.298 20 0 FGADHM C[C@H](NC(=O)c1cc(-c2nn[n-]n2)cs1)c1ccc2c(c1)CCCC2 ZINC000820390504 606483015 /nfs/dbraw/zinc/48/30/15/606483015.db2.gz HTCGEWJLLAEPFD-NSHDSACASA-N -1 3 353.451 3.298 20 0 FGADHM CCCN(C(=O)c1cc(-c2nnn[n-]2)cs1)[C@H]1CCc2ccccc21 ZINC000821083278 606491893 /nfs/dbraw/zinc/49/18/93/606491893.db2.gz WRYQMRDBTZQIRL-HNNXBMFYSA-N -1 3 353.451 3.468 20 0 FGADHM CCCN(C(=O)c1cc(-c2nn[n-]n2)cs1)[C@H]1CCc2ccccc21 ZINC000821083278 606491895 /nfs/dbraw/zinc/49/18/95/606491895.db2.gz WRYQMRDBTZQIRL-HNNXBMFYSA-N -1 3 353.451 3.468 20 0 FGADHM Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000822213219 606494970 /nfs/dbraw/zinc/49/49/70/606494970.db2.gz ZLSVVHAAMXZUBB-GFCCVEGCSA-N -1 3 357.439 3.273 20 0 FGADHM Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000822213219 606494971 /nfs/dbraw/zinc/49/49/71/606494971.db2.gz ZLSVVHAAMXZUBB-GFCCVEGCSA-N -1 3 357.439 3.273 20 0 FGADHM CCc1ccc([C@H](NC(=O)Cc2cccc(-c3nnn[n-]3)c2)C(C)C)cc1 ZINC000821481032 606496666 /nfs/dbraw/zinc/49/66/66/606496666.db2.gz HLMYNQXSHWUZKC-HXUWFJFHSA-N -1 3 363.465 3.485 20 0 FGADHM CCc1ccc([C@H](NC(=O)Cc2cccc(-c3nn[n-]n3)c2)C(C)C)cc1 ZINC000821481032 606496668 /nfs/dbraw/zinc/49/66/68/606496668.db2.gz HLMYNQXSHWUZKC-HXUWFJFHSA-N -1 3 363.465 3.485 20 0 FGADHM O=C(c1cc(-c2nnn[n-]2)cs1)N(Cc1ccccc1)CC1CCC1 ZINC000823466363 606499944 /nfs/dbraw/zinc/49/99/44/606499944.db2.gz JXVLQDGHKHMPKQ-UHFFFAOYSA-N -1 3 353.451 3.371 20 0 FGADHM O=C(c1cc(-c2nn[n-]n2)cs1)N(Cc1ccccc1)CC1CCC1 ZINC000823466363 606499946 /nfs/dbraw/zinc/49/99/46/606499946.db2.gz JXVLQDGHKHMPKQ-UHFFFAOYSA-N -1 3 353.451 3.371 20 0 FGADHM COc1ccc(N(C(=O)c2cc(-c3nnn[n-]3)cs2)[C@H](C)C2CC2)cc1 ZINC000821827463 606500803 /nfs/dbraw/zinc/50/08/03/606500803.db2.gz BRYIMGSWWDQZDF-LLVKDONJSA-N -1 3 369.450 3.382 20 0 FGADHM COc1ccc(N(C(=O)c2cc(-c3nn[n-]n3)cs2)[C@H](C)C2CC2)cc1 ZINC000821827463 606500804 /nfs/dbraw/zinc/50/08/04/606500804.db2.gz BRYIMGSWWDQZDF-LLVKDONJSA-N -1 3 369.450 3.382 20 0 FGADHM CC(C)(C)OCc1cccc(CNC(=O)c2cc(-c3nnn[n-]3)cs2)c1 ZINC000819951876 606501377 /nfs/dbraw/zinc/50/13/77/606501377.db2.gz ZCBQJVZJMGHMOK-UHFFFAOYSA-N -1 3 371.466 3.173 20 0 FGADHM CC(C)(C)OCc1cccc(CNC(=O)c2cc(-c3nn[n-]n3)cs2)c1 ZINC000819951876 606501378 /nfs/dbraw/zinc/50/13/78/606501378.db2.gz ZCBQJVZJMGHMOK-UHFFFAOYSA-N -1 3 371.466 3.173 20 0 FGADHM CC[C@@H](Oc1cccc(C)c1)C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820939756 606503517 /nfs/dbraw/zinc/50/35/17/606503517.db2.gz XRRSNDOHSGZUDQ-RDTXWAMCSA-N -1 3 365.437 3.210 20 0 FGADHM CC[C@@H](Oc1cccc(C)c1)C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820939756 606503518 /nfs/dbraw/zinc/50/35/18/606503518.db2.gz XRRSNDOHSGZUDQ-RDTXWAMCSA-N -1 3 365.437 3.210 20 0 FGADHM Cc1ccccc1C1CCN(C(=O)c2cc(-c3nnn[n-]3)cs2)CC1 ZINC000822350496 606509394 /nfs/dbraw/zinc/50/93/94/606509394.db2.gz DMGXHVJHODSECC-UHFFFAOYSA-N -1 3 353.451 3.256 20 0 FGADHM Cc1ccccc1C1CCN(C(=O)c2cc(-c3nn[n-]n3)cs2)CC1 ZINC000822350496 606509396 /nfs/dbraw/zinc/50/93/96/606509396.db2.gz DMGXHVJHODSECC-UHFFFAOYSA-N -1 3 353.451 3.256 20 0 FGADHM CC(C)c1ccc(CCCNC(=O)c2cc(-c3nnn[n-]3)cs2)cc1 ZINC000820192491 606514071 /nfs/dbraw/zinc/51/40/71/606514071.db2.gz QDRKDAKLVYEWBV-UHFFFAOYSA-N -1 3 355.467 3.414 20 0 FGADHM CC(C)c1ccc(CCCNC(=O)c2cc(-c3nn[n-]n3)cs2)cc1 ZINC000820192491 606514072 /nfs/dbraw/zinc/51/40/72/606514072.db2.gz QDRKDAKLVYEWBV-UHFFFAOYSA-N -1 3 355.467 3.414 20 0 FGADHM C[C@@H]1[C@H](Cc2ccccc2)CCN1C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820642704 606525036 /nfs/dbraw/zinc/52/50/36/606525036.db2.gz KZUCFKODIFRESV-OCCSQVGLSA-N -1 3 353.451 3.022 20 0 FGADHM C[C@@H]1[C@H](Cc2ccccc2)CCN1C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820642704 606525038 /nfs/dbraw/zinc/52/50/38/606525038.db2.gz KZUCFKODIFRESV-OCCSQVGLSA-N -1 3 353.451 3.022 20 0 FGADHM C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)cs1)c1c(F)cccc1Cl ZINC000820392208 606528967 /nfs/dbraw/zinc/52/89/67/606528967.db2.gz SLHLBLJZXADWLU-SSDOTTSWSA-N -1 3 351.794 3.212 20 0 FGADHM C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)cs1)c1c(F)cccc1Cl ZINC000820392208 606528969 /nfs/dbraw/zinc/52/89/69/606528969.db2.gz SLHLBLJZXADWLU-SSDOTTSWSA-N -1 3 351.794 3.212 20 0 FGADHM Cc1c(Br)cccc1NC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000822015206 606545833 /nfs/dbraw/zinc/54/58/33/606545833.db2.gz FTNQNEGKXHZBRS-UHFFFAOYSA-N -1 3 372.226 3.119 20 0 FGADHM Cc1c(Br)cccc1NC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000822015206 606545835 /nfs/dbraw/zinc/54/58/35/606545835.db2.gz FTNQNEGKXHZBRS-UHFFFAOYSA-N -1 3 372.226 3.119 20 0 FGADHM CC(C)(Cc1ccccc1Cl)NC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000819987895 606550308 /nfs/dbraw/zinc/55/03/08/606550308.db2.gz OYXLYKPAHSVAFJ-UHFFFAOYSA-N -1 3 369.856 3.200 20 0 FGADHM CC(C)(Cc1ccccc1Cl)NC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000819987895 606550309 /nfs/dbraw/zinc/55/03/09/606550309.db2.gz OYXLYKPAHSVAFJ-UHFFFAOYSA-N -1 3 369.856 3.200 20 0 FGADHM Cc1ccccc1C1CCN(C(=O)Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000822350103 606553657 /nfs/dbraw/zinc/55/36/57/606553657.db2.gz AGGOSRYNSQWFPS-UHFFFAOYSA-N -1 3 361.449 3.124 20 0 FGADHM Cc1ccccc1C1CCN(C(=O)Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000822350103 606553659 /nfs/dbraw/zinc/55/36/59/606553659.db2.gz AGGOSRYNSQWFPS-UHFFFAOYSA-N -1 3 361.449 3.124 20 0 FGADHM CC(C)Nc1cc(F)ccc1NC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820137455 606570618 /nfs/dbraw/zinc/57/06/18/606570618.db2.gz KYGGCLPYMXMRSL-UHFFFAOYSA-N -1 3 354.389 3.007 20 0 FGADHM CC(C)Nc1cc(F)ccc1NC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820137455 606570620 /nfs/dbraw/zinc/57/06/20/606570620.db2.gz KYGGCLPYMXMRSL-UHFFFAOYSA-N -1 3 354.389 3.007 20 0 FGADHM Cc1c2c(sc1NC(=O)Cc1cccc(-c3nnn[n-]3)c1)CCCC2 ZINC000822077436 606572744 /nfs/dbraw/zinc/57/27/44/606572744.db2.gz VFAMMQNQCWMFPC-UHFFFAOYSA-N -1 3 353.451 3.297 20 0 FGADHM Cc1c2c(sc1NC(=O)Cc1cccc(-c3nn[n-]n3)c1)CCCC2 ZINC000822077436 606572745 /nfs/dbraw/zinc/57/27/45/606572745.db2.gz VFAMMQNQCWMFPC-UHFFFAOYSA-N -1 3 353.451 3.297 20 0 FGADHM C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000820668161 606574326 /nfs/dbraw/zinc/57/43/26/606574326.db2.gz QPEGOWVGZCFTQT-UGSOOPFHSA-N -1 3 365.412 3.158 20 0 FGADHM C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000820668161 606574327 /nfs/dbraw/zinc/57/43/27/606574327.db2.gz QPEGOWVGZCFTQT-UGSOOPFHSA-N -1 3 365.412 3.158 20 0 FGADHM C[C@@H]1CCN(C(=O)Cc2cccc(-c3nnn[n-]3)c2)[C@H]1c1cccc(F)c1 ZINC000820716281 606580893 /nfs/dbraw/zinc/58/08/93/606580893.db2.gz IGUGYFHSNLWPFZ-BFUOFWGJSA-N -1 3 365.412 3.158 20 0 FGADHM C[C@@H]1CCN(C(=O)Cc2cccc(-c3nn[n-]n3)c2)[C@H]1c1cccc(F)c1 ZINC000820716281 606580894 /nfs/dbraw/zinc/58/08/94/606580894.db2.gz IGUGYFHSNLWPFZ-BFUOFWGJSA-N -1 3 365.412 3.158 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1O[C@@H](C)c1nc(-c2ccccc2)no1 ZINC000821700804 606587406 /nfs/dbraw/zinc/58/74/06/606587406.db2.gz YUHNUNVIISNGKZ-NSHDSACASA-N -1 3 364.365 3.065 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1O[C@@H](C)c1nc(-c2ccccc2)no1 ZINC000821700804 606587408 /nfs/dbraw/zinc/58/74/08/606587408.db2.gz YUHNUNVIISNGKZ-NSHDSACASA-N -1 3 364.365 3.065 20 0 FGADHM CCC(C)(C)OCc1cccc(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)c1C ZINC000820847809 606589933 /nfs/dbraw/zinc/58/99/33/606589933.db2.gz MOTUXLHKZCHSPD-UHFFFAOYSA-N -1 3 368.441 3.461 20 0 FGADHM CCC(C)(C)OCc1cccc(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)c1C ZINC000820847809 606589936 /nfs/dbraw/zinc/58/99/36/606589936.db2.gz MOTUXLHKZCHSPD-UHFFFAOYSA-N -1 3 368.441 3.461 20 0 FGADHM CN(C)C(=O)Sc1ccc(CNc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000821578144 606596647 /nfs/dbraw/zinc/59/66/47/606596647.db2.gz PKOCNDBULHZGLQ-UHFFFAOYSA-N -1 3 372.429 3.392 20 0 FGADHM CN(C)C(=O)Sc1ccc(CNc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000821578144 606596649 /nfs/dbraw/zinc/59/66/49/606596649.db2.gz PKOCNDBULHZGLQ-UHFFFAOYSA-N -1 3 372.429 3.392 20 0 FGADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)c1cc2cccc(Cl)c2o1 ZINC000823257836 606603468 /nfs/dbraw/zinc/60/34/68/606603468.db2.gz VECUVQNSUNYJIJ-UHFFFAOYSA-N -1 3 353.769 3.196 20 0 FGADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)c1cc2cccc(Cl)c2o1 ZINC000823257836 606603469 /nfs/dbraw/zinc/60/34/69/606603469.db2.gz VECUVQNSUNYJIJ-UHFFFAOYSA-N -1 3 353.769 3.196 20 0 FGADHM O=C(N[C@H](C1CCCCC1)C(F)(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000823140516 606605721 /nfs/dbraw/zinc/60/57/21/606605721.db2.gz VOWIFQGEIXQEIN-CYBMUJFWSA-N -1 3 353.348 3.108 20 0 FGADHM O=C(N[C@H](C1CCCCC1)C(F)(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000823140516 606605723 /nfs/dbraw/zinc/60/57/23/606605723.db2.gz VOWIFQGEIXQEIN-CYBMUJFWSA-N -1 3 353.348 3.108 20 0 FGADHM NC(=NOCc1ccc(-c2nn[n-]n2)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000822845797 606608638 /nfs/dbraw/zinc/60/86/38/606608638.db2.gz HVUCEYAADUGOCQ-UHFFFAOYSA-N -1 3 352.442 3.082 20 0 FGADHM C[C@H](Sc1ccc(Cl)cc1-c1nnn[n-]1)C(=O)N1CCCCCC1 ZINC000820548680 606630429 /nfs/dbraw/zinc/63/04/29/606630429.db2.gz FFOBKRNPLNPRPL-NSHDSACASA-N -1 3 365.890 3.403 20 0 FGADHM C[C@H](Sc1ccc(Cl)cc1-c1nn[n-]n1)C(=O)N1CCCCCC1 ZINC000820548680 606630430 /nfs/dbraw/zinc/63/04/30/606630430.db2.gz FFOBKRNPLNPRPL-NSHDSACASA-N -1 3 365.890 3.403 20 0 FGADHM Cc1ccc(-c2nc(CNCc3ccc(-c4nnn[n-]4)cc3F)co2)cc1 ZINC000822213782 606640403 /nfs/dbraw/zinc/64/04/03/606640403.db2.gz ALYLRXXUINLMRD-UHFFFAOYSA-N -1 3 364.384 3.259 20 0 FGADHM Cc1ccc(-c2nc(CNCc3ccc(-c4nn[n-]n4)cc3F)co2)cc1 ZINC000822213782 606640404 /nfs/dbraw/zinc/64/04/04/606640404.db2.gz ALYLRXXUINLMRD-UHFFFAOYSA-N -1 3 364.384 3.259 20 0 FGADHM Clc1ccc(NCc2noc(-c3ccccc3)n2)cc1-c1nnn[n-]1 ZINC000822578700 606656637 /nfs/dbraw/zinc/65/66/37/606656637.db2.gz ODLCPQKFEYYBMX-UHFFFAOYSA-N -1 3 353.773 3.182 20 0 FGADHM Clc1ccc(NCc2noc(-c3ccccc3)n2)cc1-c1nn[n-]n1 ZINC000822578700 606656638 /nfs/dbraw/zinc/65/66/38/606656638.db2.gz ODLCPQKFEYYBMX-UHFFFAOYSA-N -1 3 353.773 3.182 20 0 FGADHM CCc1ccc([C@@H](C)NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1 ZINC000821481410 606662279 /nfs/dbraw/zinc/66/22/79/606662279.db2.gz JQWPCYVBIBWNGU-SNVBAGLBSA-N -1 3 357.364 3.198 20 0 FGADHM CCc1ccc([C@@H](C)NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1 ZINC000821481410 606662280 /nfs/dbraw/zinc/66/22/80/606662280.db2.gz JQWPCYVBIBWNGU-SNVBAGLBSA-N -1 3 357.364 3.198 20 0 FGADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1)c1cc(F)cc(C(F)(F)F)c1 ZINC000823443874 606663337 /nfs/dbraw/zinc/66/33/37/606663337.db2.gz GFSYMBOTEAKKAA-UHFFFAOYSA-N -1 3 352.247 3.244 20 0 FGADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1)c1cc(F)cc(C(F)(F)F)c1 ZINC000823443874 606663338 /nfs/dbraw/zinc/66/33/38/606663338.db2.gz GFSYMBOTEAKKAA-UHFFFAOYSA-N -1 3 352.247 3.244 20 0 FGADHM O=C(C[C@@H]1CCCCO1)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000822941515 606664819 /nfs/dbraw/zinc/66/48/19/606664819.db2.gz YGIITOKSUGXPFT-NSHDSACASA-N -1 3 361.471 3.095 20 0 FGADHM O=C(C[C@@H]1CCCCO1)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000822941515 606664820 /nfs/dbraw/zinc/66/48/20/606664820.db2.gz YGIITOKSUGXPFT-NSHDSACASA-N -1 3 361.471 3.095 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Cc1cccc(F)c1F ZINC000821104751 606667598 /nfs/dbraw/zinc/66/75/98/606667598.db2.gz PAEQMYPZTKNPOG-UHFFFAOYSA-N -1 3 371.391 3.126 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Cc1cccc(F)c1F ZINC000821104751 606667599 /nfs/dbraw/zinc/66/75/99/606667599.db2.gz PAEQMYPZTKNPOG-UHFFFAOYSA-N -1 3 371.391 3.126 20 0 FGADHM Cc1cc([C@@H](C)NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c(C)s1 ZINC000822191779 606668538 /nfs/dbraw/zinc/66/85/38/606668538.db2.gz QGLGZZZJPRTQHG-MRVPVSSYSA-N -1 3 363.393 3.314 20 0 FGADHM Cc1cc([C@@H](C)NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c(C)s1 ZINC000822191779 606668539 /nfs/dbraw/zinc/66/85/39/606668539.db2.gz QGLGZZZJPRTQHG-MRVPVSSYSA-N -1 3 363.393 3.314 20 0 FGADHM Cc1sc(NC(=O)CN(c2ccccc2)C(C)C)c(-c2nnn[n-]2)c1C ZINC000822558202 606668814 /nfs/dbraw/zinc/66/88/14/606668814.db2.gz MVAMNOYTSQAKOE-UHFFFAOYSA-N -1 3 370.482 3.399 20 0 FGADHM Cc1sc(NC(=O)CN(c2ccccc2)C(C)C)c(-c2nn[n-]n2)c1C ZINC000822558202 606668815 /nfs/dbraw/zinc/66/88/15/606668815.db2.gz MVAMNOYTSQAKOE-UHFFFAOYSA-N -1 3 370.482 3.399 20 0 FGADHM CC(C)[C@@H](CNC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000820020316 606669288 /nfs/dbraw/zinc/66/92/88/606669288.db2.gz DPYSNYKMXWCAIE-CQSZACIVSA-N -1 3 371.391 3.315 20 0 FGADHM CC(C)[C@@H](CNC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000820020316 606669289 /nfs/dbraw/zinc/66/92/89/606669289.db2.gz DPYSNYKMXWCAIE-CQSZACIVSA-N -1 3 371.391 3.315 20 0 FGADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)[C@H]2C[C@@H]2Cc2ccccc2)s1 ZINC000821465832 606674289 /nfs/dbraw/zinc/67/42/89/606674289.db2.gz RBOOVEJVXUDZEV-JSGCOSHPSA-N -1 3 353.451 3.308 20 0 FGADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)[C@H]2C[C@@H]2Cc2ccccc2)s1 ZINC000821465832 606674290 /nfs/dbraw/zinc/67/42/90/606674290.db2.gz RBOOVEJVXUDZEV-JSGCOSHPSA-N -1 3 353.451 3.308 20 0 FGADHM C[C@@H](NC(=O)CCc1cn(C)c2ccccc12)c1cccc(-c2nnn[n-]2)c1 ZINC000820329320 606683944 /nfs/dbraw/zinc/68/39/44/606683944.db2.gz VJQASLZDDWBXHP-CQSZACIVSA-N -1 3 374.448 3.168 20 0 FGADHM C[C@@H](NC(=O)CCc1cn(C)c2ccccc12)c1cccc(-c2nn[n-]n2)c1 ZINC000820329320 606683945 /nfs/dbraw/zinc/68/39/45/606683945.db2.gz VJQASLZDDWBXHP-CQSZACIVSA-N -1 3 374.448 3.168 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CC[C@](C)(c2ccccc2)C1 ZINC000822217745 606696638 /nfs/dbraw/zinc/69/66/38/606696638.db2.gz MMJZYBVTUSWAHC-FQEVSTJZSA-N -1 3 362.437 3.371 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CC[C@](C)(c2ccccc2)C1 ZINC000822217745 606696639 /nfs/dbraw/zinc/69/66/39/606696639.db2.gz MMJZYBVTUSWAHC-FQEVSTJZSA-N -1 3 362.437 3.371 20 0 FGADHM Cn1ccc2c1cccc2NCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000822689568 606703429 /nfs/dbraw/zinc/70/34/29/606703429.db2.gz MUKOJNPVGNYAGP-UHFFFAOYSA-N -1 3 372.392 3.021 20 0 FGADHM Cn1ccc2c1cccc2NCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000822689568 606703430 /nfs/dbraw/zinc/70/34/30/606703430.db2.gz MUKOJNPVGNYAGP-UHFFFAOYSA-N -1 3 372.392 3.021 20 0 FGADHM C[C@@H](OC1CCCCCC1)C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000820520082 606724120 /nfs/dbraw/zinc/72/41/20/606724120.db2.gz YIOOYJKCLQOFLV-GFCCVEGCSA-N -1 3 361.421 3.097 20 0 FGADHM C[C@@H](OC1CCCCCC1)C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000820520082 606724122 /nfs/dbraw/zinc/72/41/22/606724122.db2.gz YIOOYJKCLQOFLV-GFCCVEGCSA-N -1 3 361.421 3.097 20 0 FGADHM CCO[C@@H](CC(=O)Nc1sc(C)c(CC)c1-c1nnn[n-]1)C(C)C ZINC000821352252 606725888 /nfs/dbraw/zinc/72/58/88/606725888.db2.gz ZWBOFADABFIOGO-LBPRGKRZSA-N -1 3 351.476 3.189 20 0 FGADHM CCO[C@@H](CC(=O)Nc1sc(C)c(CC)c1-c1nn[n-]n1)C(C)C ZINC000821352252 606725890 /nfs/dbraw/zinc/72/58/90/606725890.db2.gz ZWBOFADABFIOGO-LBPRGKRZSA-N -1 3 351.476 3.189 20 0 FGADHM Brc1ccccc1[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)cn1 ZINC000819689174 606726869 /nfs/dbraw/zinc/72/68/69/606726869.db2.gz WTLCZFLBXKVLSD-AWEZNQCLSA-N -1 3 371.242 3.366 20 0 FGADHM Brc1ccccc1[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cn1 ZINC000819689174 606726870 /nfs/dbraw/zinc/72/68/70/606726870.db2.gz WTLCZFLBXKVLSD-AWEZNQCLSA-N -1 3 371.242 3.366 20 0 FGADHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1N[C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000822718186 606727656 /nfs/dbraw/zinc/72/76/56/606727656.db2.gz BVYPQDMIYHRFPY-QKCSRTOESA-N -1 3 353.348 3.255 20 0 FGADHM Fc1cc(F)c2ncc(-c3nnn[n-]3)c(N[C@@H]3CCC[C@H]4OCC[C@H]43)c2c1 ZINC000822753148 606729875 /nfs/dbraw/zinc/72/98/75/606729875.db2.gz GQXLPRGOZANMNL-COLVAYQJSA-N -1 3 372.379 3.063 20 0 FGADHM Fc1cc(F)c2ncc(-c3nn[n-]n3)c(N[C@@H]3CCC[C@H]4OCC[C@H]43)c2c1 ZINC000822753148 606729876 /nfs/dbraw/zinc/72/98/76/606729876.db2.gz GQXLPRGOZANMNL-COLVAYQJSA-N -1 3 372.379 3.063 20 0 FGADHM C[C@@H](c1ccccc1)N(C)C(=O)COc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000820562328 606780134 /nfs/dbraw/zinc/78/01/34/606780134.db2.gz FKIJAFBXRUTQKH-LBPRGKRZSA-N -1 3 371.828 3.119 20 0 FGADHM C[C@@H](c1ccccc1)N(C)C(=O)COc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000820562328 606780135 /nfs/dbraw/zinc/78/01/35/606780135.db2.gz FKIJAFBXRUTQKH-LBPRGKRZSA-N -1 3 371.828 3.119 20 0 FGADHM CC(C)CC1(CNC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)CCC1 ZINC000820062478 606799395 /nfs/dbraw/zinc/79/93/95/606799395.db2.gz MQTBORYCMKWTJX-UHFFFAOYSA-N -1 3 360.437 3.021 20 0 FGADHM CC(C)CC1(CNC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)CCC1 ZINC000820062478 606799396 /nfs/dbraw/zinc/79/93/96/606799396.db2.gz MQTBORYCMKWTJX-UHFFFAOYSA-N -1 3 360.437 3.021 20 0 FGADHM Cc1nnc(N2CCC(=Cc3ccccc3F)CC2)c(-c2nnn[n-]2)c1C ZINC000822510627 606802325 /nfs/dbraw/zinc/80/23/25/606802325.db2.gz SDGJIIATCXSTBJ-UHFFFAOYSA-N -1 3 365.416 3.096 20 0 FGADHM Cc1nnc(N2CCC(=Cc3ccccc3F)CC2)c(-c2nn[n-]n2)c1C ZINC000822510627 606802328 /nfs/dbraw/zinc/80/23/28/606802328.db2.gz SDGJIIATCXSTBJ-UHFFFAOYSA-N -1 3 365.416 3.096 20 0 FGADHM CCc1noc(C)c1CSCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000821552886 606841176 /nfs/dbraw/zinc/84/11/76/606841176.db2.gz AGWPCKLIRCTJHR-UHFFFAOYSA-N -1 3 359.455 3.428 20 0 FGADHM CCc1noc(C)c1CSCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000821552886 606841177 /nfs/dbraw/zinc/84/11/77/606841177.db2.gz AGWPCKLIRCTJHR-UHFFFAOYSA-N -1 3 359.455 3.428 20 0 FGADHM COc1c(Cl)cccc1NCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000821698331 606863699 /nfs/dbraw/zinc/86/36/99/606863699.db2.gz FSTVRNOVOKZNMC-UHFFFAOYSA-N -1 3 359.817 3.410 20 0 FGADHM COc1c(Cl)cccc1NCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000821698331 606863701 /nfs/dbraw/zinc/86/37/01/606863701.db2.gz FSTVRNOVOKZNMC-UHFFFAOYSA-N -1 3 359.817 3.410 20 0 FGADHM C[C@@H]1CC[C@@H](C(=O)Nc2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)O1 ZINC000820675806 606874727 /nfs/dbraw/zinc/87/47/27/606874727.db2.gz KXTVLLYFNWVICB-PXAZEXFGSA-N -1 3 365.393 3.165 20 0 FGADHM C[C@@H]1CC[C@@H](C(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)O1 ZINC000820675806 606874728 /nfs/dbraw/zinc/87/47/28/606874728.db2.gz KXTVLLYFNWVICB-PXAZEXFGSA-N -1 3 365.393 3.165 20 0 FGADHM O[C@H](CNc1ccc(-c2nn[n-]n2)cc1F)c1cc2ccccc2s1 ZINC000823689732 606878063 /nfs/dbraw/zinc/87/80/63/606878063.db2.gz IWZLWBIGAXEIIV-CQSZACIVSA-N -1 3 355.398 3.366 20 0 FGADHM CO[C@H](CNc1nc2c(cc1-c1nnn[n-]1)CCC2)c1ccccc1Cl ZINC000821678928 606880824 /nfs/dbraw/zinc/88/08/24/606880824.db2.gz UVUQNJDGLRVTBA-MRXNPFEDSA-N -1 3 370.844 3.203 20 0 FGADHM CO[C@H](CNc1nc2c(cc1-c1nn[n-]n1)CCC2)c1ccccc1Cl ZINC000821678928 606880825 /nfs/dbraw/zinc/88/08/25/606880825.db2.gz UVUQNJDGLRVTBA-MRXNPFEDSA-N -1 3 370.844 3.203 20 0 FGADHM COc1cccc(N(CC(C)C)C[C@H](O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821873726 606923004 /nfs/dbraw/zinc/92/30/04/606923004.db2.gz XFURNQLGBJXKKP-IBGZPJMESA-N -1 3 367.453 3.071 20 0 FGADHM COc1cccc(N(CC(C)C)C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821873726 606923006 /nfs/dbraw/zinc/92/30/06/606923006.db2.gz XFURNQLGBJXKKP-IBGZPJMESA-N -1 3 367.453 3.071 20 0 FGADHM Cn1ccc(C(=O)Oc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)c1 ZINC000822690182 606925407 /nfs/dbraw/zinc/92/54/07/606925407.db2.gz UZDGJYIZFHLMPN-UHFFFAOYSA-N -1 3 361.361 3.217 20 0 FGADHM Cn1ccc(C(=O)Oc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)c1 ZINC000822690182 606925408 /nfs/dbraw/zinc/92/54/08/606925408.db2.gz UZDGJYIZFHLMPN-UHFFFAOYSA-N -1 3 361.361 3.217 20 0 FGADHM CC[C@H](OC(=O)c1ccc(-c2nnn[n-]2)cn1)c1c(F)cccc1Cl ZINC000820939109 606929644 /nfs/dbraw/zinc/92/96/44/606929644.db2.gz QSHIVAJPNUWDJZ-ZDUSSCGKSA-N -1 3 361.764 3.362 20 0 FGADHM CC[C@H](OC(=O)c1ccc(-c2nn[n-]n2)cn1)c1c(F)cccc1Cl ZINC000820939109 606929646 /nfs/dbraw/zinc/92/96/46/606929646.db2.gz QSHIVAJPNUWDJZ-ZDUSSCGKSA-N -1 3 361.764 3.362 20 0 FGADHM CC(C)c1ccc(N(C)C(=O)COc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000820192358 606935858 /nfs/dbraw/zinc/93/58/58/606935858.db2.gz KZGXRYGEBXOGOJ-UHFFFAOYSA-N -1 3 351.410 3.032 20 0 FGADHM CC(C)c1ccc(N(C)C(=O)COc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000820192358 606935860 /nfs/dbraw/zinc/93/58/60/606935860.db2.gz KZGXRYGEBXOGOJ-UHFFFAOYSA-N -1 3 351.410 3.032 20 0 FGADHM CCc1nc2c(s1)[C@H](N(C)C(=O)c1cccc(-c3nnn[n-]3)c1)CCC2 ZINC000821510038 606937870 /nfs/dbraw/zinc/93/78/70/606937870.db2.gz TWKKNLDKWIRXMR-CQSZACIVSA-N -1 3 368.466 3.035 20 0 FGADHM CCc1nc2c(s1)[C@H](N(C)C(=O)c1cccc(-c3nn[n-]n3)c1)CCC2 ZINC000821510038 606937872 /nfs/dbraw/zinc/93/78/72/606937872.db2.gz TWKKNLDKWIRXMR-CQSZACIVSA-N -1 3 368.466 3.035 20 0 FGADHM CCC(CC)(CCO)CNc1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000820887575 606940016 /nfs/dbraw/zinc/94/00/16/606940016.db2.gz HJRUHSDSNPQDFH-UHFFFAOYSA-N -1 3 357.380 3.486 20 0 FGADHM CCC(CC)(CCO)CNc1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000820887575 606940017 /nfs/dbraw/zinc/94/00/17/606940017.db2.gz HJRUHSDSNPQDFH-UHFFFAOYSA-N -1 3 357.380 3.486 20 0 FGADHM Cc1ccc(-c2cccc(CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)c2)cc1 ZINC000822214003 606950571 /nfs/dbraw/zinc/95/05/71/606950571.db2.gz LBINORFBQZFEFN-UHFFFAOYSA-N -1 3 358.405 3.100 20 0 FGADHM Cc1ccc(-c2cccc(CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)c2)cc1 ZINC000822214003 606950574 /nfs/dbraw/zinc/95/05/74/606950574.db2.gz LBINORFBQZFEFN-UHFFFAOYSA-N -1 3 358.405 3.100 20 0 FGADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1cc(F)cc(Cl)c1 ZINC000821611974 606955270 /nfs/dbraw/zinc/95/52/70/606955270.db2.gz CQTUXRFVEFCFSA-UHFFFAOYSA-N -1 3 360.780 3.323 20 0 FGADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1cc(F)cc(Cl)c1 ZINC000821611974 606955271 /nfs/dbraw/zinc/95/52/71/606955271.db2.gz CQTUXRFVEFCFSA-UHFFFAOYSA-N -1 3 360.780 3.323 20 0 FGADHM Cc1sc(NC(=O)COC/C=C\c2ccccc2)c(-c2nnn[n-]2)c1C ZINC000822562622 606955868 /nfs/dbraw/zinc/95/58/68/606955868.db2.gz CCUAQEVYZJUENS-TWGQIWQCSA-N -1 3 369.450 3.214 20 0 FGADHM Cc1sc(NC(=O)COC/C=C\c2ccccc2)c(-c2nn[n-]n2)c1C ZINC000822562622 606955871 /nfs/dbraw/zinc/95/58/71/606955871.db2.gz CCUAQEVYZJUENS-TWGQIWQCSA-N -1 3 369.450 3.214 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccn(C2CCCC2)n1 ZINC000823308951 606957883 /nfs/dbraw/zinc/95/78/83/606957883.db2.gz NMBJPALKASVQJX-UHFFFAOYSA-N -1 3 357.805 3.084 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccn(C2CCCC2)n1 ZINC000823308951 606957885 /nfs/dbraw/zinc/95/78/85/606957885.db2.gz NMBJPALKASVQJX-UHFFFAOYSA-N -1 3 357.805 3.084 20 0 FGADHM C[C@@H](CC(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1)c1ccncc1 ZINC000820220183 606960306 /nfs/dbraw/zinc/96/03/06/606960306.db2.gz OJIOIUZIZKSNRX-NSHDSACASA-N -1 3 356.817 3.072 20 0 FGADHM C[C@@H](CC(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1)c1ccncc1 ZINC000820220183 606960308 /nfs/dbraw/zinc/96/03/08/606960308.db2.gz OJIOIUZIZKSNRX-NSHDSACASA-N -1 3 356.817 3.072 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)c1cccc(OC(F)(F)F)c1 ZINC000823346108 606960386 /nfs/dbraw/zinc/96/03/86/606960386.db2.gz ISOBGHNVVOTWAQ-UHFFFAOYSA-N -1 3 367.262 3.157 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)c1cccc(OC(F)(F)F)c1 ZINC000823346108 606960388 /nfs/dbraw/zinc/96/03/88/606960388.db2.gz ISOBGHNVVOTWAQ-UHFFFAOYSA-N -1 3 367.262 3.157 20 0 FGADHM CN(C(=O)CC1CCSCC1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821569677 606962913 /nfs/dbraw/zinc/96/29/13/606962913.db2.gz RSEWSAKZJHGFGF-UHFFFAOYSA-N -1 3 351.863 3.016 20 0 FGADHM CN(C(=O)CC1CCSCC1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821569677 606962915 /nfs/dbraw/zinc/96/29/15/606962915.db2.gz RSEWSAKZJHGFGF-UHFFFAOYSA-N -1 3 351.863 3.016 20 0 FGADHM Fc1ccc(CN[C@@H](c2ccccc2)C(F)(F)F)cc1-c1nnn[n-]1 ZINC000822772408 606966624 /nfs/dbraw/zinc/96/66/24/606966624.db2.gz XRNLJRFMTCKCMX-AWEZNQCLSA-N -1 3 351.307 3.399 20 0 FGADHM Fc1ccc(CN[C@@H](c2ccccc2)C(F)(F)F)cc1-c1nn[n-]n1 ZINC000822772408 606966626 /nfs/dbraw/zinc/96/66/26/606966626.db2.gz XRNLJRFMTCKCMX-AWEZNQCLSA-N -1 3 351.307 3.399 20 0 FGADHM CCC[C@@H](NC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1F ZINC000821020827 606981779 /nfs/dbraw/zinc/98/17/79/606981779.db2.gz IMOSMZNNRFSUQO-QGZVFWFLSA-N -1 3 371.391 3.345 20 0 FGADHM CCC[C@@H](NC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1F ZINC000821020827 606981781 /nfs/dbraw/zinc/98/17/81/606981781.db2.gz IMOSMZNNRFSUQO-QGZVFWFLSA-N -1 3 371.391 3.345 20 0 FGADHM CCS[C@H](C)c1noc(CSCc2ccccc2-c2nnn[n-]2)n1 ZINC000821447792 606986930 /nfs/dbraw/zinc/98/69/30/606986930.db2.gz LAOIMZJFXHEXNS-SNVBAGLBSA-N -1 3 362.484 3.497 20 0 FGADHM CCS[C@H](C)c1noc(CSCc2ccccc2-c2nn[n-]n2)n1 ZINC000821447792 606986932 /nfs/dbraw/zinc/98/69/32/606986932.db2.gz LAOIMZJFXHEXNS-SNVBAGLBSA-N -1 3 362.484 3.497 20 0 FGADHM C[C@@H](c1cccc(Cl)c1)S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000820563529 606989922 /nfs/dbraw/zinc/98/99/22/606989922.db2.gz RSMYEINKHVLUJV-NSHDSACASA-N -1 3 362.842 3.196 20 0 FGADHM C[C@@H](c1cccc(Cl)c1)S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000820563529 606989923 /nfs/dbraw/zinc/98/99/23/606989923.db2.gz RSMYEINKHVLUJV-NSHDSACASA-N -1 3 362.842 3.196 20 0 FGADHM C[C@H](c1cccc(Cl)c1)S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820563639 606989991 /nfs/dbraw/zinc/98/99/91/606989991.db2.gz SJGXIBNSRIUHQA-LLVKDONJSA-N -1 3 362.842 3.196 20 0 FGADHM C[C@H](c1cccc(Cl)c1)S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820563639 606989993 /nfs/dbraw/zinc/98/99/93/606989993.db2.gz SJGXIBNSRIUHQA-LLVKDONJSA-N -1 3 362.842 3.196 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1OCC(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000822221522 607030477 /nfs/dbraw/zinc/03/04/77/607030477.db2.gz SAVZVGIIYRJAPM-GFCCVEGCSA-N -1 3 371.828 3.085 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1OCC(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000822221522 607030480 /nfs/dbraw/zinc/03/04/80/607030480.db2.gz SAVZVGIIYRJAPM-GFCCVEGCSA-N -1 3 371.828 3.085 20 0 FGADHM Cc1ccccc1-n1cnnc1SCc1cc(F)ccc1-c1nnn[n-]1 ZINC000822345446 607037748 /nfs/dbraw/zinc/03/77/48/607037748.db2.gz JFUPMGBQUQBCBH-UHFFFAOYSA-N -1 3 367.413 3.187 20 0 FGADHM Cc1ccccc1-n1cnnc1SCc1cc(F)ccc1-c1nn[n-]n1 ZINC000822345446 607037750 /nfs/dbraw/zinc/03/77/50/607037750.db2.gz JFUPMGBQUQBCBH-UHFFFAOYSA-N -1 3 367.413 3.187 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)Nc1c(F)cccc1NC1CC1 ZINC000822927974 607044964 /nfs/dbraw/zinc/04/49/64/607044964.db2.gz BWZJFPGRUFTWTP-FLIBITNWSA-N -1 3 364.384 3.232 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)Nc1c(F)cccc1NC1CC1 ZINC000822927974 607044966 /nfs/dbraw/zinc/04/49/66/607044966.db2.gz BWZJFPGRUFTWTP-FLIBITNWSA-N -1 3 364.384 3.232 20 0 FGADHM O=C(C/C=C/c1cccc(F)c1)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000822945715 607086329 /nfs/dbraw/zinc/08/63/29/607086329.db2.gz OPMSHSXMUBNZEA-DUXPYHPUSA-N -1 3 356.332 3.292 20 0 FGADHM O=C(C/C=C/c1cccc(F)c1)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000822945715 607086330 /nfs/dbraw/zinc/08/63/30/607086330.db2.gz OPMSHSXMUBNZEA-DUXPYHPUSA-N -1 3 356.332 3.292 20 0 FGADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H]1C[C@H]1c1ccc(F)cc1 ZINC000821294703 607098361 /nfs/dbraw/zinc/09/83/61/607098361.db2.gz XNGAQPZLRMEMMX-GJZGRUSLSA-N -1 3 366.400 3.180 20 0 FGADHM C[C@]1(c2ccccc2)CN(c2c(Cl)cccc2-c2nnn[n-]2)CCO1 ZINC000820635744 607115418 /nfs/dbraw/zinc/11/54/18/607115418.db2.gz MTHSRELCLFKNSC-GOSISDBHSA-N -1 3 355.829 3.272 20 0 FGADHM C[C@]1(c2ccccc2)CN(c2c(Cl)cccc2-c2nn[n-]n2)CCO1 ZINC000820635744 607115420 /nfs/dbraw/zinc/11/54/20/607115420.db2.gz MTHSRELCLFKNSC-GOSISDBHSA-N -1 3 355.829 3.272 20 0 FGADHM Cc1cc(CNc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)nn1C ZINC000822201153 607123757 /nfs/dbraw/zinc/12/37/57/607123757.db2.gz SUSBCHPSVGOJQT-UHFFFAOYSA-N -1 3 361.409 3.313 20 0 FGADHM CCc1nnc(N[C@H]2CCOC3(CCCCC3)C2)c(-c2nnn[n-]2)c1CC ZINC000821529620 607130534 /nfs/dbraw/zinc/13/05/34/607130534.db2.gz XZXPKJZMJOAWEX-ZDUSSCGKSA-N -1 3 371.489 3.075 20 0 FGADHM CCc1nnc(N[C@H]2CCOC3(CCCCC3)C2)c(-c2nn[n-]n2)c1CC ZINC000821529620 607130535 /nfs/dbraw/zinc/13/05/35/607130535.db2.gz XZXPKJZMJOAWEX-ZDUSSCGKSA-N -1 3 371.489 3.075 20 0 FGADHM Cc1ccc(C)c(NC(=O)[C@H](C)Oc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000822231830 607135003 /nfs/dbraw/zinc/13/50/03/607135003.db2.gz ITUPSBWXPLTBML-LBPRGKRZSA-N -1 3 355.373 3.029 20 0 FGADHM Cc1ccc(C)c(NC(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000822231830 607135004 /nfs/dbraw/zinc/13/50/04/607135004.db2.gz ITUPSBWXPLTBML-LBPRGKRZSA-N -1 3 355.373 3.029 20 0 FGADHM C[C@H](Oc1ccc(-c2nnn[n-]2)cc1F)c1nnc(-c2cccs2)o1 ZINC000820535273 607139395 /nfs/dbraw/zinc/13/93/95/607139395.db2.gz PAQJLFGOEOYNST-QMMMGPOBSA-N -1 3 358.358 3.257 20 0 FGADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1F)c1nnc(-c2cccs2)o1 ZINC000820535273 607139397 /nfs/dbraw/zinc/13/93/97/607139397.db2.gz PAQJLFGOEOYNST-QMMMGPOBSA-N -1 3 358.358 3.257 20 0 FGADHM Fc1ccc(NCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)c(Cl)c1 ZINC000822783048 607165598 /nfs/dbraw/zinc/16/55/98/607165598.db2.gz SBFAEHSBYSBKCZ-UHFFFAOYSA-N -1 3 371.763 3.321 20 0 FGADHM Fc1ccc(NCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)c(Cl)c1 ZINC000822783048 607165600 /nfs/dbraw/zinc/16/56/00/607165600.db2.gz SBFAEHSBYSBKCZ-UHFFFAOYSA-N -1 3 371.763 3.321 20 0 FGADHM CCn1c(COc2ccc(-c3nnn[n-]3)cc2F)nc2cc(F)ccc21 ZINC000821563832 607171443 /nfs/dbraw/zinc/17/14/43/607171443.db2.gz HNYPOROLEXVXCD-UHFFFAOYSA-N -1 3 356.336 3.094 20 0 FGADHM CCn1c(COc2ccc(-c3nn[n-]n3)cc2F)nc2cc(F)ccc21 ZINC000821563832 607171444 /nfs/dbraw/zinc/17/14/44/607171444.db2.gz HNYPOROLEXVXCD-UHFFFAOYSA-N -1 3 356.336 3.094 20 0 FGADHM Cn1c(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc2ccccc21 ZINC000822596703 607189237 /nfs/dbraw/zinc/18/92/37/607189237.db2.gz QFGBJOAAPDETNO-UHFFFAOYSA-N -1 3 352.785 3.264 20 0 FGADHM Cn1c(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc2ccccc21 ZINC000822596703 607189238 /nfs/dbraw/zinc/18/92/38/607189238.db2.gz QFGBJOAAPDETNO-UHFFFAOYSA-N -1 3 352.785 3.264 20 0 FGADHM COc1ccc(CCC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000821790819 607191824 /nfs/dbraw/zinc/19/18/24/607191824.db2.gz VKRYRTBFUHXGKN-UHFFFAOYSA-N -1 3 357.801 3.100 20 0 FGADHM COc1ccc(CCC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000821790819 607191825 /nfs/dbraw/zinc/19/18/25/607191825.db2.gz VKRYRTBFUHXGKN-UHFFFAOYSA-N -1 3 357.801 3.100 20 0 FGADHM CCCCC[C@H]1CCCN1C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC000821050756 607194135 /nfs/dbraw/zinc/19/41/35/607194135.db2.gz UDIAYKWDXGCCMB-AWEZNQCLSA-N -1 3 358.446 3.452 20 0 FGADHM CCCCC[C@H]1CCCN1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC000821050756 607194136 /nfs/dbraw/zinc/19/41/36/607194136.db2.gz UDIAYKWDXGCCMB-AWEZNQCLSA-N -1 3 358.446 3.452 20 0 FGADHM Cc1cc(CNC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc(C)c1O ZINC000822200216 607198579 /nfs/dbraw/zinc/19/85/79/607198579.db2.gz YSJGQGOXBPLVBG-UHFFFAOYSA-N -1 3 372.816 3.164 20 0 FGADHM Cc1cc(CNC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc(C)c1O ZINC000822200216 607198580 /nfs/dbraw/zinc/19/85/80/607198580.db2.gz YSJGQGOXBPLVBG-UHFFFAOYSA-N -1 3 372.816 3.164 20 0 FGADHM CSCC[C@@H](C)N(C)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821961193 607200873 /nfs/dbraw/zinc/20/08/73/607200873.db2.gz HLNHFSARUNIKEU-SECBINFHSA-N -1 3 354.867 3.125 20 0 FGADHM CSCC[C@@H](C)N(C)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821961193 607200874 /nfs/dbraw/zinc/20/08/74/607200874.db2.gz HLNHFSARUNIKEU-SECBINFHSA-N -1 3 354.867 3.125 20 0 FGADHM Cc1nc([C@@H](C)NC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cs1 ZINC000822427166 607201362 /nfs/dbraw/zinc/20/13/62/607201362.db2.gz DFTAZRHFQUJCSY-SSDOTTSWSA-N -1 3 363.834 3.168 20 0 FGADHM Cc1nc([C@@H](C)NC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cs1 ZINC000822427166 607201363 /nfs/dbraw/zinc/20/13/63/607201363.db2.gz DFTAZRHFQUJCSY-SSDOTTSWSA-N -1 3 363.834 3.168 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N1CCc2ccccc2C1 ZINC000823319642 607204074 /nfs/dbraw/zinc/20/40/74/607204074.db2.gz WYQKVDBJRSPQFU-UHFFFAOYSA-N -1 3 354.801 3.110 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N1CCc2ccccc2C1 ZINC000823319642 607204075 /nfs/dbraw/zinc/20/40/75/607204075.db2.gz WYQKVDBJRSPQFU-UHFFFAOYSA-N -1 3 354.801 3.110 20 0 FGADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cccc2ncccc21 ZINC000820001226 607235601 /nfs/dbraw/zinc/23/56/01/607235601.db2.gz FOYMCBVYMMUQDJ-UHFFFAOYSA-N -1 3 374.404 3.211 20 0 FGADHM O=C(Cc1ccc2c(c1)CCC2)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823082420 607241826 /nfs/dbraw/zinc/24/18/26/607241826.db2.gz HYIQNZSYVGDPKS-UHFFFAOYSA-N -1 3 353.813 3.190 20 0 FGADHM O=C(Cc1ccc2c(c1)CCC2)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823082420 607241827 /nfs/dbraw/zinc/24/18/27/607241827.db2.gz HYIQNZSYVGDPKS-UHFFFAOYSA-N -1 3 353.813 3.190 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)[C@H]1CSc2ccccc21 ZINC000823313423 607244092 /nfs/dbraw/zinc/24/40/92/607244092.db2.gz AIUBPHSPDCYEHI-NSHDSACASA-N -1 3 357.826 3.348 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)[C@H]1CSc2ccccc21 ZINC000823313423 607244093 /nfs/dbraw/zinc/24/40/93/607244093.db2.gz AIUBPHSPDCYEHI-NSHDSACASA-N -1 3 357.826 3.348 20 0 FGADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)c1ccc(F)cc1C(F)(F)F ZINC000823451567 607245094 /nfs/dbraw/zinc/24/50/94/607245094.db2.gz WFLNKOGSUWOIGH-UHFFFAOYSA-N -1 3 370.237 3.383 20 0 FGADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)c1ccc(F)cc1C(F)(F)F ZINC000823451567 607245095 /nfs/dbraw/zinc/24/50/95/607245095.db2.gz WFLNKOGSUWOIGH-UHFFFAOYSA-N -1 3 370.237 3.383 20 0 FGADHM C[C@@H](CCc1cccc(F)c1)C(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000820252537 607250058 /nfs/dbraw/zinc/25/00/58/607250058.db2.gz BRSHSFHMYXZNQW-NSHDSACASA-N -1 3 358.348 3.319 20 0 FGADHM C[C@@H](CCc1cccc(F)c1)C(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000820252537 607250059 /nfs/dbraw/zinc/25/00/59/607250059.db2.gz BRSHSFHMYXZNQW-NSHDSACASA-N -1 3 358.348 3.319 20 0 FGADHM CC1(C)CCc2ccccc2[C@@H]1NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000824806804 607774266 /nfs/dbraw/zinc/77/42/66/607774266.db2.gz CADKZRDNQKNNKG-HNNXBMFYSA-N -1 3 353.451 3.372 20 0 FGADHM CC1(C)CCc2ccccc2[C@@H]1NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000824806804 607774267 /nfs/dbraw/zinc/77/42/67/607774267.db2.gz CADKZRDNQKNNKG-HNNXBMFYSA-N -1 3 353.451 3.372 20 0 FGADHM CN(C(=O)Cc1c[nH]c2cc(Cl)ccc12)c1ccccc1-c1nnn[n-]1 ZINC000825820795 607790060 /nfs/dbraw/zinc/79/00/60/607790060.db2.gz UAEZPCCDZWCCGL-UHFFFAOYSA-N -1 3 366.812 3.207 20 0 FGADHM CN(C(=O)Cc1c[nH]c2cc(Cl)ccc12)c1ccccc1-c1nn[n-]n1 ZINC000825820795 607790061 /nfs/dbraw/zinc/79/00/61/607790061.db2.gz UAEZPCCDZWCCGL-UHFFFAOYSA-N -1 3 366.812 3.207 20 0 FGADHM Cc1ccc(C(=O)N(C)c2ccccc2-c2nnn[n-]2)cc1-n1cccc1 ZINC000826281994 607790240 /nfs/dbraw/zinc/79/02/40/607790240.db2.gz SOLKTFGNCILCNN-UHFFFAOYSA-N -1 3 358.405 3.242 20 0 FGADHM Cc1ccc(C(=O)N(C)c2ccccc2-c2nn[n-]n2)cc1-n1cccc1 ZINC000826281994 607790241 /nfs/dbraw/zinc/79/02/41/607790241.db2.gz SOLKTFGNCILCNN-UHFFFAOYSA-N -1 3 358.405 3.242 20 0 FGADHM CN(C(=O)c1ccc(F)cc1C(F)(F)F)c1ccccc1-c1nnn[n-]1 ZINC000825829975 607790827 /nfs/dbraw/zinc/79/08/27/607790827.db2.gz MXJSVRXNZRJOPW-UHFFFAOYSA-N -1 3 365.290 3.301 20 0 FGADHM CN(C(=O)c1ccc(F)cc1C(F)(F)F)c1ccccc1-c1nn[n-]n1 ZINC000825829975 607790828 /nfs/dbraw/zinc/79/08/28/607790828.db2.gz MXJSVRXNZRJOPW-UHFFFAOYSA-N -1 3 365.290 3.301 20 0 FGADHM CCN(C(=O)c1cnc(C(C)(C)C)s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825385661 607800088 /nfs/dbraw/zinc/80/00/88/607800088.db2.gz PNKVYHDKPYAPOH-UHFFFAOYSA-N -1 3 356.455 3.287 20 0 FGADHM CCN(C(=O)c1cnc(C(C)(C)C)s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825385661 607800089 /nfs/dbraw/zinc/80/00/89/607800089.db2.gz PNKVYHDKPYAPOH-UHFFFAOYSA-N -1 3 356.455 3.287 20 0 FGADHM Cc1noc(C)c1[C@@H](C)CC(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826337846 607815638 /nfs/dbraw/zinc/81/56/38/607815638.db2.gz CERGDNCKLNOEEP-QMMMGPOBSA-N -1 3 360.805 3.257 20 0 FGADHM Cc1noc(C)c1[C@@H](C)CC(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826337846 607815639 /nfs/dbraw/zinc/81/56/39/607815639.db2.gz CERGDNCKLNOEEP-QMMMGPOBSA-N -1 3 360.805 3.257 20 0 FGADHM C[C@@H](Cc1ccccc1Cl)C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000824457376 607815938 /nfs/dbraw/zinc/81/59/38/607815938.db2.gz KOQSRAKAZXFEJA-LBPRGKRZSA-N -1 3 355.829 3.015 20 0 FGADHM C[C@@H](Cc1ccccc1Cl)C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000824457376 607815939 /nfs/dbraw/zinc/81/59/39/607815939.db2.gz KOQSRAKAZXFEJA-LBPRGKRZSA-N -1 3 355.829 3.015 20 0 FGADHM C[C@@H](Cc1ccccc1Cl)C(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000824458644 607815948 /nfs/dbraw/zinc/81/59/48/607815948.db2.gz VTELJCZSLIDUKR-ZDUSSCGKSA-N -1 3 369.856 3.357 20 0 FGADHM C[C@@H](Cc1ccccc1Cl)C(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000824458644 607815949 /nfs/dbraw/zinc/81/59/49/607815949.db2.gz VTELJCZSLIDUKR-ZDUSSCGKSA-N -1 3 369.856 3.357 20 0 FGADHM CC(C)(C)SCCCC(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000824123301 607826235 /nfs/dbraw/zinc/82/62/35/607826235.db2.gz CSEFGBNVTFLPOE-UHFFFAOYSA-N -1 3 352.435 3.361 20 0 FGADHM CC(C)(C)SCCCC(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000824123301 607826236 /nfs/dbraw/zinc/82/62/36/607826236.db2.gz CSEFGBNVTFLPOE-UHFFFAOYSA-N -1 3 352.435 3.361 20 0 FGADHM Cc1csc(NC(=O)c2c(Cl)cc(-c3nnn[n-]3)cc2Cl)n1 ZINC000826321264 607834367 /nfs/dbraw/zinc/83/43/67/607834367.db2.gz XRAGZNDEKVIUPU-UHFFFAOYSA-N -1 3 355.210 3.191 20 0 FGADHM Cc1csc(NC(=O)c2c(Cl)cc(-c3nn[n-]n3)cc2Cl)n1 ZINC000826321264 607834368 /nfs/dbraw/zinc/83/43/68/607834368.db2.gz XRAGZNDEKVIUPU-UHFFFAOYSA-N -1 3 355.210 3.191 20 0 FGADHM Clc1cc(-c2nnn[n-]2)ccc1SCc1cn(-c2ccccc2)nn1 ZINC000826350620 607844812 /nfs/dbraw/zinc/84/48/12/607844812.db2.gz DSALMPIVGVYVGN-UHFFFAOYSA-N -1 3 369.841 3.393 20 0 FGADHM Clc1cc(-c2nn[n-]n2)ccc1SCc1cn(-c2ccccc2)nn1 ZINC000826350620 607844813 /nfs/dbraw/zinc/84/48/13/607844813.db2.gz DSALMPIVGVYVGN-UHFFFAOYSA-N -1 3 369.841 3.393 20 0 FGADHM COc1ccc(OC[C@H](O)c2ccc(-c3nnn[n-]3)cc2)c2ccccc12 ZINC000826211151 607873238 /nfs/dbraw/zinc/87/32/38/607873238.db2.gz QZVYXPWTLYKZAQ-KRWDZBQOSA-N -1 3 362.389 3.141 20 0 FGADHM COc1ccc(OC[C@H](O)c2ccc(-c3nn[n-]n3)cc2)c2ccccc12 ZINC000826211151 607873239 /nfs/dbraw/zinc/87/32/39/607873239.db2.gz QZVYXPWTLYKZAQ-KRWDZBQOSA-N -1 3 362.389 3.141 20 0 FGADHM CCN(C(=O)[C@H]1CC1(Cl)Cl)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825367422 607877814 /nfs/dbraw/zinc/87/78/14/607877814.db2.gz PTOJMPVNERKLHC-SECBINFHSA-N -1 3 360.632 3.067 20 0 FGADHM CCN(C(=O)[C@H]1CC1(Cl)Cl)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825367422 607877815 /nfs/dbraw/zinc/87/78/15/607877815.db2.gz PTOJMPVNERKLHC-SECBINFHSA-N -1 3 360.632 3.067 20 0 FGADHM CCc1c(C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)cnn1CC(C)C ZINC000825687413 607881435 /nfs/dbraw/zinc/88/14/35/607881435.db2.gz IZVBFIBDXAPDKE-UHFFFAOYSA-N -1 3 373.848 3.187 20 0 FGADHM CCc1c(C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)cnn1CC(C)C ZINC000825687413 607881436 /nfs/dbraw/zinc/88/14/36/607881436.db2.gz IZVBFIBDXAPDKE-UHFFFAOYSA-N -1 3 373.848 3.187 20 0 FGADHM O=C(Cn1ccc(-c2nnn[n-]2)c1)N[C@H](c1ccccc1)C1CCCCC1 ZINC000826424470 607892852 /nfs/dbraw/zinc/89/28/52/607892852.db2.gz NLMNIBXDFGWYLJ-LJQANCHMSA-N -1 3 364.453 3.106 20 0 FGADHM O=C(Cn1ccc(-c2nn[n-]n2)c1)N[C@H](c1ccccc1)C1CCCCC1 ZINC000826424470 607892853 /nfs/dbraw/zinc/89/28/53/607892853.db2.gz NLMNIBXDFGWYLJ-LJQANCHMSA-N -1 3 364.453 3.106 20 0 FGADHM C[C@H](Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccc([S@](C)=O)cc1 ZINC000824650378 607902781 /nfs/dbraw/zinc/90/27/81/607902781.db2.gz RDFSWSJMCQIDID-JUZXBQNTSA-N -1 3 361.858 3.431 20 0 FGADHM C[C@H](Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc([S@](C)=O)cc1 ZINC000824650378 607902782 /nfs/dbraw/zinc/90/27/82/607902782.db2.gz RDFSWSJMCQIDID-JUZXBQNTSA-N -1 3 361.858 3.431 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1N1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000826372331 607905662 /nfs/dbraw/zinc/90/56/62/607905662.db2.gz RTIYSPCELUDJHT-CQSZACIVSA-N -1 3 363.400 3.025 20 0 FGADHM C[C@@H](NCc1ccccc1-c1nnn[n-]1)c1nc(C2CCCCC2)no1 ZINC000824627284 607909725 /nfs/dbraw/zinc/90/97/25/607909725.db2.gz VZKIAPKMAPQEGP-GFCCVEGCSA-N -1 3 353.430 3.148 20 0 FGADHM C[C@@H](NCc1ccccc1-c1nn[n-]n1)c1nc(C2CCCCC2)no1 ZINC000824627284 607909726 /nfs/dbraw/zinc/90/97/26/607909726.db2.gz VZKIAPKMAPQEGP-GFCCVEGCSA-N -1 3 353.430 3.148 20 0 FGADHM O=C(COC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826415501 607918284 /nfs/dbraw/zinc/91/82/84/607918284.db2.gz IIFVXAFMJUBBLE-KBRIMQKVSA-N -1 3 368.437 3.199 20 0 FGADHM O=C(COC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826415501 607918285 /nfs/dbraw/zinc/91/82/85/607918285.db2.gz IIFVXAFMJUBBLE-KBRIMQKVSA-N -1 3 368.437 3.199 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@@H](c1ccc(F)cc1)C(C)C ZINC000826174187 607921833 /nfs/dbraw/zinc/92/18/33/607921833.db2.gz LZJLATXGCYOLES-QGZVFWFLSA-N -1 3 370.384 3.360 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@@H](c1ccc(F)cc1)C(C)C ZINC000826174187 607921834 /nfs/dbraw/zinc/92/18/34/607921834.db2.gz LZJLATXGCYOLES-QGZVFWFLSA-N -1 3 370.384 3.360 20 0 FGADHM CCc1c(NC(=S)Nc2ccccc2-c2nnn[n-]2)cnn1CC(C)C ZINC000825694578 607930300 /nfs/dbraw/zinc/93/03/00/607930300.db2.gz UVZWVIQFAKJGPH-UHFFFAOYSA-N -1 3 370.486 3.091 20 0 FGADHM CCc1c(NC(=S)Nc2ccccc2-c2nn[n-]n2)cnn1CC(C)C ZINC000825694578 607930301 /nfs/dbraw/zinc/93/03/01/607930301.db2.gz UVZWVIQFAKJGPH-UHFFFAOYSA-N -1 3 370.486 3.091 20 0 FGADHM O=C(CCCc1c[nH]c2ccccc12)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826406618 607946842 /nfs/dbraw/zinc/94/68/42/607946842.db2.gz FMOBXVYFQGJOFP-UHFFFAOYSA-N -1 3 372.432 3.260 20 0 FGADHM O=C(CCCc1c[nH]c2ccccc12)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826406618 607946843 /nfs/dbraw/zinc/94/68/43/607946843.db2.gz FMOBXVYFQGJOFP-UHFFFAOYSA-N -1 3 372.432 3.260 20 0 FGADHM O=C([C@@H]1CC[C@@H]2CCCC[C@H]2C1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826398749 607950066 /nfs/dbraw/zinc/95/00/66/607950066.db2.gz FBYXIWOAIVKUCW-JLJPHGGASA-N -1 3 351.454 3.362 20 0 FGADHM O=C([C@@H]1CC[C@@H]2CCCC[C@H]2C1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826398749 607950067 /nfs/dbraw/zinc/95/00/67/607950067.db2.gz FBYXIWOAIVKUCW-JLJPHGGASA-N -1 3 351.454 3.362 20 0 FGADHM Cc1cc2occ(CC(=O)N3CCc4ccc(-c5nnn[n-]5)cc43)c2cc1C ZINC000826272901 607951698 /nfs/dbraw/zinc/95/16/98/607951698.db2.gz GQNQUPOECIIJOJ-UHFFFAOYSA-N -1 3 373.416 3.362 20 0 FGADHM Cc1cc2occ(CC(=O)N3CCc4ccc(-c5nn[n-]n5)cc43)c2cc1C ZINC000826272901 607951699 /nfs/dbraw/zinc/95/16/99/607951699.db2.gz GQNQUPOECIIJOJ-UHFFFAOYSA-N -1 3 373.416 3.362 20 0 FGADHM CCC(=O)c1cc(C(=O)OCc2cc(-c3nnn[n-]3)ccc2F)ccc1F ZINC000825035132 607960892 /nfs/dbraw/zinc/96/08/92/607960892.db2.gz VUYMSOAEBSQLQN-UHFFFAOYSA-N -1 3 372.331 3.095 20 0 FGADHM CCC(=O)c1cc(C(=O)OCc2cc(-c3nn[n-]n3)ccc2F)ccc1F ZINC000825035132 607960893 /nfs/dbraw/zinc/96/08/93/607960893.db2.gz VUYMSOAEBSQLQN-UHFFFAOYSA-N -1 3 372.331 3.095 20 0 FGADHM CN(CC1CCCC1)C(=O)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000825909359 607964057 /nfs/dbraw/zinc/96/40/57/607964057.db2.gz XBWWLWKGNLNROZ-UHFFFAOYSA-N -1 3 354.241 3.436 20 0 FGADHM CN(CC1CCCC1)C(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000825909359 607964058 /nfs/dbraw/zinc/96/40/58/607964058.db2.gz XBWWLWKGNLNROZ-UHFFFAOYSA-N -1 3 354.241 3.436 20 0 FGADHM O=C(N[C@H]1C[C@@H]1c1ccccc1)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000826429065 607964130 /nfs/dbraw/zinc/96/41/30/607964130.db2.gz TVDVOPUMPMQLMA-RISCZKNCSA-N -1 3 374.231 3.459 20 0 FGADHM O=C(N[C@H]1C[C@@H]1c1ccccc1)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000826429065 607964131 /nfs/dbraw/zinc/96/41/31/607964131.db2.gz TVDVOPUMPMQLMA-RISCZKNCSA-N -1 3 374.231 3.459 20 0 FGADHM CCc1nc2sccc2c(N(C)Cc2cccc(-c3nnn[n-]3)c2)n1 ZINC000825749273 607964858 /nfs/dbraw/zinc/96/48/58/607964858.db2.gz AVKJROPQUWRVRX-UHFFFAOYSA-N -1 3 351.439 3.070 20 0 FGADHM CCc1nc2sccc2c(N(C)Cc2cccc(-c3nn[n-]n3)c2)n1 ZINC000825749273 607964859 /nfs/dbraw/zinc/96/48/59/607964859.db2.gz AVKJROPQUWRVRX-UHFFFAOYSA-N -1 3 351.439 3.070 20 0 FGADHM CC(C)COCCCNc1ccc(-c2nn[n-]n2)cc1Br ZINC000824271451 607988477 /nfs/dbraw/zinc/98/84/77/607988477.db2.gz NWMWWSYFWLIDKK-UHFFFAOYSA-N -1 3 354.252 3.104 20 0 FGADHM O[C@H](COc1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)cc1Cl ZINC000826505159 607982499 /nfs/dbraw/zinc/98/24/99/607982499.db2.gz OELRGIBNTQZJFG-CQSZACIVSA-N -1 3 351.193 3.286 20 0 FGADHM O[C@H](COc1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)cc1Cl ZINC000826505159 607982500 /nfs/dbraw/zinc/98/25/00/607982500.db2.gz OELRGIBNTQZJFG-CQSZACIVSA-N -1 3 351.193 3.286 20 0 FGADHM COc1ccc(CSCCC(=O)Nc2ccccc2)cc1-c1nnn[n-]1 ZINC000826207681 607984597 /nfs/dbraw/zinc/98/45/97/607984597.db2.gz XYGVYHBWPKLWQV-UHFFFAOYSA-N -1 3 369.450 3.137 20 0 FGADHM COc1ccc(CSCCC(=O)Nc2ccccc2)cc1-c1nn[n-]n1 ZINC000826207681 607984598 /nfs/dbraw/zinc/98/45/98/607984598.db2.gz XYGVYHBWPKLWQV-UHFFFAOYSA-N -1 3 369.450 3.137 20 0 FGADHM Brc1cc(-c2nn[n-]n2)ccc1N(Cc1ccccn1)C1CC1 ZINC000823827006 608046944 /nfs/dbraw/zinc/04/69/44/608046944.db2.gz SFDSVBADTAKODD-UHFFFAOYSA-N -1 3 371.242 3.193 20 0 FGADHM Cc1cc(C)n(C[C@@H]2CCCCN2c2ccc(-c3nnn[n-]3)c(Cl)c2)n1 ZINC000826265157 608049552 /nfs/dbraw/zinc/04/95/52/608049552.db2.gz NVMSILYXPGNIAL-HNNXBMFYSA-N -1 3 371.876 3.393 20 0 FGADHM Cc1cc(C)n(C[C@@H]2CCCCN2c2ccc(-c3nn[n-]n3)c(Cl)c2)n1 ZINC000826265157 608049553 /nfs/dbraw/zinc/04/95/53/608049553.db2.gz NVMSILYXPGNIAL-HNNXBMFYSA-N -1 3 371.876 3.393 20 0 FGADHM C[C@H](Cc1ccncc1)Nc1ccc(-c2nn[n-]n2)cc1Br ZINC000824465755 608050486 /nfs/dbraw/zinc/05/04/86/608050486.db2.gz RYJSMSIFAUFUPW-SNVBAGLBSA-N -1 3 359.231 3.067 20 0 FGADHM FC(F)CN(CC1CCC1)Cn1ccc(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826369940 608054208 /nfs/dbraw/zinc/05/42/08/608054208.db2.gz WFYWJJHFXLTNGZ-UHFFFAOYSA-N -1 3 373.411 3.055 20 0 FGADHM FC(F)CN(CC1CCC1)Cn1ccc(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826369940 608054209 /nfs/dbraw/zinc/05/42/09/608054209.db2.gz WFYWJJHFXLTNGZ-UHFFFAOYSA-N -1 3 373.411 3.055 20 0 FGADHM Cc1cc2c(ncnc2SCCOc2cccc(-c3nnn[n-]3)c2)s1 ZINC000826272797 608055698 /nfs/dbraw/zinc/05/56/98/608055698.db2.gz BLLDEJMUXRDAGJ-UHFFFAOYSA-N -1 3 370.463 3.351 20 0 FGADHM Cc1cc2c(ncnc2SCCOc2cccc(-c3nn[n-]n3)c2)s1 ZINC000826272797 608055699 /nfs/dbraw/zinc/05/56/99/608055699.db2.gz BLLDEJMUXRDAGJ-UHFFFAOYSA-N -1 3 370.463 3.351 20 0 FGADHM Cc1cnn(-c2ccc(C)cc2NCc2ccc(-c3nnn[n-]3)s2)c1 ZINC000826280573 608055796 /nfs/dbraw/zinc/05/57/96/608055796.db2.gz HOPVXAHNJKXJPV-UHFFFAOYSA-N -1 3 351.439 3.343 20 0 FGADHM CC(=O)COC(=O)c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000823966824 608059518 /nfs/dbraw/zinc/05/95/18/608059518.db2.gz BHDCUAFBLNCTRA-UHFFFAOYSA-N -1 3 372.768 3.058 20 0 FGADHM CC(=O)COC(=O)c1ccc(Oc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000823966824 608059519 /nfs/dbraw/zinc/05/95/19/608059519.db2.gz BHDCUAFBLNCTRA-UHFFFAOYSA-N -1 3 372.768 3.058 20 0 FGADHM CCC(CC)[C@@H](C)C(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000825095078 608062746 /nfs/dbraw/zinc/06/27/46/608062746.db2.gz CVRNWAAFVDFBIE-CQSZACIVSA-N -1 3 371.485 3.309 20 0 FGADHM CCC(CC)[C@@H](C)C(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000825095078 608062747 /nfs/dbraw/zinc/06/27/47/608062747.db2.gz CVRNWAAFVDFBIE-CQSZACIVSA-N -1 3 371.485 3.309 20 0 FGADHM C[C@H](c1cc(F)ccc1F)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824763014 608067066 /nfs/dbraw/zinc/06/70/66/608067066.db2.gz JKTJADRGHQLBPF-KZULUSFZSA-N -1 3 371.391 3.279 20 0 FGADHM C[C@H](c1cc(F)ccc1F)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824763014 608067067 /nfs/dbraw/zinc/06/70/67/608067067.db2.gz JKTJADRGHQLBPF-KZULUSFZSA-N -1 3 371.391 3.279 20 0 FGADHM Cc1c(Cl)cc(F)c(NC(=O)Cc2ccc(-c3nnn[n-]3)cc2)c1F ZINC000826236260 608074172 /nfs/dbraw/zinc/07/41/72/608074172.db2.gz FKJPMJDKVCTMIL-UHFFFAOYSA-N -1 3 363.755 3.288 20 0 FGADHM Cc1c(Cl)cc(F)c(NC(=O)Cc2ccc(-c3nn[n-]n3)cc2)c1F ZINC000826236260 608074173 /nfs/dbraw/zinc/07/41/73/608074173.db2.gz FKJPMJDKVCTMIL-UHFFFAOYSA-N -1 3 363.755 3.288 20 0 FGADHM CC(C)c1cc(=O)n(Cc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)cn1 ZINC000824343123 608076759 /nfs/dbraw/zinc/07/67/59/608076759.db2.gz XTAKALYBYXTVKT-UHFFFAOYSA-N -1 3 372.432 3.262 20 0 FGADHM CC(C)c1cc(=O)n(Cc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)cn1 ZINC000824343123 608076760 /nfs/dbraw/zinc/07/67/60/608076760.db2.gz XTAKALYBYXTVKT-UHFFFAOYSA-N -1 3 372.432 3.262 20 0 FGADHM CCCC[C@@H](CC)CC(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000825259268 608081494 /nfs/dbraw/zinc/08/14/94/608081494.db2.gz HYUHFENQDLNAOI-CRAIPNDOSA-N -1 3 371.485 3.373 20 0 FGADHM CCCC[C@@H](CC)CC(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000825259268 608081495 /nfs/dbraw/zinc/08/14/95/608081495.db2.gz HYUHFENQDLNAOI-CRAIPNDOSA-N -1 3 371.485 3.373 20 0 FGADHM Cc1cc(C)cc([C@@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)cs3)C2)c1 ZINC000826264543 608130543 /nfs/dbraw/zinc/13/05/43/608130543.db2.gz RRSHPJJJEOSCMA-CYBMUJFWSA-N -1 3 353.451 3.175 20 0 FGADHM Cc1cc(C)cc([C@@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)cs3)C2)c1 ZINC000826264543 608130544 /nfs/dbraw/zinc/13/05/44/608130544.db2.gz RRSHPJJJEOSCMA-CYBMUJFWSA-N -1 3 353.451 3.175 20 0 FGADHM Cc1nn(C(C)(C)C)cc1C(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826333081 608142036 /nfs/dbraw/zinc/14/20/36/608142036.db2.gz SPESSABRXNJLGC-GFCCVEGCSA-N -1 3 354.414 3.045 20 0 FGADHM Cc1nn(C(C)(C)C)cc1C(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826333081 608142037 /nfs/dbraw/zinc/14/20/37/608142037.db2.gz SPESSABRXNJLGC-GFCCVEGCSA-N -1 3 354.414 3.045 20 0 FGADHM O=C(NCC1(Cc2ccc(F)cc2)CC1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000826433488 608155558 /nfs/dbraw/zinc/15/55/58/608155558.db2.gz HZVCOVCPIHZSOT-UHFFFAOYSA-N -1 3 366.400 3.150 20 0 FGADHM O=C(NCC1(Cc2ccc(F)cc2)CC1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000826433488 608155559 /nfs/dbraw/zinc/15/55/59/608155559.db2.gz HZVCOVCPIHZSOT-UHFFFAOYSA-N -1 3 366.400 3.150 20 0 FGADHM c1cc(CNc2ccc3cc(-c4nnn[n-]4)ccc3n2)cc(N2CCCC2)n1 ZINC000826516591 608222266 /nfs/dbraw/zinc/22/22/66/608222266.db2.gz QVNDXBNQUMVABN-UHFFFAOYSA-N -1 3 372.436 3.022 20 0 FGADHM c1cc(CNc2ccc3cc(-c4nn[n-]n4)ccc3n2)cc(N2CCCC2)n1 ZINC000826516591 608222268 /nfs/dbraw/zinc/22/22/68/608222268.db2.gz QVNDXBNQUMVABN-UHFFFAOYSA-N -1 3 372.436 3.022 20 0 FGADHM COc1ccccc1[C@@H]1CCN(c2ccc3cc(-c4nnn[n-]4)ccc3n2)C1 ZINC000826219354 608229007 /nfs/dbraw/zinc/22/90/07/608229007.db2.gz ZGUAUTZZNPCKOX-MRXNPFEDSA-N -1 3 372.432 3.417 20 0 FGADHM COc1ccccc1[C@@H]1CCN(c2ccc3cc(-c4nn[n-]n4)ccc3n2)C1 ZINC000826219354 608229009 /nfs/dbraw/zinc/22/90/09/608229009.db2.gz ZGUAUTZZNPCKOX-MRXNPFEDSA-N -1 3 372.432 3.417 20 0 FGADHM Fc1cc(-c2nnn[n-]2)cc(F)c1NCCc1nc2c(s1)CCCC2 ZINC000826371841 608232906 /nfs/dbraw/zinc/23/29/06/608232906.db2.gz WNTQFNSHXIDMNA-UHFFFAOYSA-N -1 3 362.409 3.135 20 0 FGADHM Fc1cc(-c2nn[n-]n2)cc(F)c1NCCc1nc2c(s1)CCCC2 ZINC000826371841 608232908 /nfs/dbraw/zinc/23/29/08/608232908.db2.gz WNTQFNSHXIDMNA-UHFFFAOYSA-N -1 3 362.409 3.135 20 0 FGADHM COc1cc(F)cc(CNc2ccc3cc(-c4nnn[n-]4)ccc3n2)c1 ZINC000826180293 608236412 /nfs/dbraw/zinc/23/64/12/608236412.db2.gz AMMSNKZLKPTLNS-UHFFFAOYSA-N -1 3 350.357 3.175 20 0 FGADHM COc1cc(F)cc(CNc2ccc3cc(-c4nn[n-]n4)ccc3n2)c1 ZINC000826180293 608236414 /nfs/dbraw/zinc/23/64/14/608236414.db2.gz AMMSNKZLKPTLNS-UHFFFAOYSA-N -1 3 350.357 3.175 20 0 FGADHM C[C@@H](NC(=O)C=Cc1ccc2[nH]ccc2c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824477939 608242285 /nfs/dbraw/zinc/24/22/85/608242285.db2.gz DCGAYFKSESZEFR-STMXVASLSA-N -1 3 358.405 3.239 20 0 FGADHM C[C@@H](NC(=O)C=Cc1ccc2[nH]ccc2c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824477939 608242286 /nfs/dbraw/zinc/24/22/86/608242286.db2.gz DCGAYFKSESZEFR-STMXVASLSA-N -1 3 358.405 3.239 20 0 FGADHM Fc1cccc([C@H](NCc2cc(-c3nnn[n-]3)cs2)c2ccccn2)c1 ZINC000826376645 608243706 /nfs/dbraw/zinc/24/37/06/608243706.db2.gz MFZQUUOOJVYCJB-KRWDZBQOSA-N -1 3 366.425 3.342 20 0 FGADHM Fc1cccc([C@H](NCc2cc(-c3nn[n-]n3)cs2)c2ccccn2)c1 ZINC000826376645 608243708 /nfs/dbraw/zinc/24/37/08/608243708.db2.gz MFZQUUOOJVYCJB-KRWDZBQOSA-N -1 3 366.425 3.342 20 0 FGADHM Cc1cccc(C)c1[C@H](C)OC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000826297146 608249005 /nfs/dbraw/zinc/24/90/05/608249005.db2.gz XDQUAQKSBZIQIB-AWEZNQCLSA-N -1 3 352.394 3.167 20 0 FGADHM CC[C@@H](OC(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1cc(C)ccc1OC ZINC000825153741 608272568 /nfs/dbraw/zinc/27/25/68/608272568.db2.gz JCHPOCXAIINTGM-QGZVFWFLSA-N -1 3 366.421 3.421 20 0 FGADHM CC[C@@H](OC(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1cc(C)ccc1OC ZINC000825153741 608272569 /nfs/dbraw/zinc/27/25/69/608272569.db2.gz JCHPOCXAIINTGM-QGZVFWFLSA-N -1 3 366.421 3.421 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)c(NC[C@H]2CCCO[C@H]2c2ccccc2)n1 ZINC000826276246 608278748 /nfs/dbraw/zinc/27/87/48/608278748.db2.gz YKURSLFFLMBDGY-WBVHZDCISA-N -1 3 350.426 3.150 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)c(NC[C@H]2CCCO[C@H]2c2ccccc2)n1 ZINC000826276246 608278749 /nfs/dbraw/zinc/27/87/49/608278749.db2.gz YKURSLFFLMBDGY-WBVHZDCISA-N -1 3 350.426 3.150 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)c(N[C@@H]2C[C@@H]2c2cccc(Br)c2)n1 ZINC000826274786 608281863 /nfs/dbraw/zinc/28/18/63/608281863.db2.gz FDMRJPDOUNTOPO-ZIAGYGMSSA-N -1 3 371.242 3.301 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)c(N[C@@H]2C[C@@H]2c2cccc(Br)c2)n1 ZINC000826274786 608281865 /nfs/dbraw/zinc/28/18/65/608281865.db2.gz FDMRJPDOUNTOPO-ZIAGYGMSSA-N -1 3 371.242 3.301 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)c(N2CCC(OC3CCC(C)CC3)CC2)n1 ZINC000826274616 608286565 /nfs/dbraw/zinc/28/65/65/608286565.db2.gz XGSCLUYUDHDOQH-UHFFFAOYSA-N -1 3 356.474 3.134 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)c(N2CCC(OC3CCC(C)CC3)CC2)n1 ZINC000826274616 608286566 /nfs/dbraw/zinc/28/65/66/608286566.db2.gz XGSCLUYUDHDOQH-UHFFFAOYSA-N -1 3 356.474 3.134 20 0 FGADHM Cc1ccc([C@@H]2OCCC[C@H]2CNc2nc(C)ccc2-c2nnn[n-]2)cc1 ZINC000826286265 608292656 /nfs/dbraw/zinc/29/26/56/608292656.db2.gz WYUUWARMTSDGTA-WMZOPIPTSA-N -1 3 364.453 3.458 20 0 FGADHM Cc1ccc([C@@H]2OCCC[C@H]2CNc2nc(C)ccc2-c2nn[n-]n2)cc1 ZINC000826286265 608292658 /nfs/dbraw/zinc/29/26/58/608292658.db2.gz WYUUWARMTSDGTA-WMZOPIPTSA-N -1 3 364.453 3.458 20 0 FGADHM CCc1cc(NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)ncn1 ZINC000825700384 608295811 /nfs/dbraw/zinc/29/58/11/608295811.db2.gz DOSVSBZYOHHIHN-UHFFFAOYSA-N -1 3 357.421 3.498 20 0 FGADHM CCc1cc(NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)ncn1 ZINC000825700384 608295813 /nfs/dbraw/zinc/29/58/13/608295813.db2.gz DOSVSBZYOHHIHN-UHFFFAOYSA-N -1 3 357.421 3.498 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1CNc1ccccc1OC(F)(F)F ZINC000826170599 608319439 /nfs/dbraw/zinc/31/94/39/608319439.db2.gz HPBOBRIYSCKCOV-UHFFFAOYSA-N -1 3 365.315 3.386 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1CNc1ccccc1OC(F)(F)F ZINC000826170599 608319441 /nfs/dbraw/zinc/31/94/41/608319441.db2.gz HPBOBRIYSCKCOV-UHFFFAOYSA-N -1 3 365.315 3.386 20 0 FGADHM Cc1ccncc1[C@@H](C)OC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000826315774 608334418 /nfs/dbraw/zinc/33/44/18/608334418.db2.gz SVLBWRAZCYJXDA-CYBMUJFWSA-N -1 3 369.450 3.108 20 0 FGADHM Cc1ccncc1[C@@H](C)OC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000826315774 608334419 /nfs/dbraw/zinc/33/44/19/608334419.db2.gz SVLBWRAZCYJXDA-CYBMUJFWSA-N -1 3 369.450 3.108 20 0 FGADHM CS[C@H](C)CCC(=O)Nc1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000826225736 608338948 /nfs/dbraw/zinc/33/89/48/608338948.db2.gz JOYDWMIZXDNZQI-SNVBAGLBSA-N -1 3 374.495 3.460 20 0 FGADHM CS[C@H](C)CCC(=O)Nc1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000826225736 608338949 /nfs/dbraw/zinc/33/89/49/608338949.db2.gz JOYDWMIZXDNZQI-SNVBAGLBSA-N -1 3 374.495 3.460 20 0 FGADHM Cc1ccsc1CCNC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000826316693 608339897 /nfs/dbraw/zinc/33/98/97/608339897.db2.gz VZAVPVQBHZPOGU-UHFFFAOYSA-N -1 3 362.846 3.254 20 0 FGADHM Cc1ccsc1CCNC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000826316693 608339899 /nfs/dbraw/zinc/33/98/99/608339899.db2.gz VZAVPVQBHZPOGU-UHFFFAOYSA-N -1 3 362.846 3.254 20 0 FGADHM CCN(C(=O)C[C@H](C)c1cccnc1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825367793 608345160 /nfs/dbraw/zinc/34/51/60/608345160.db2.gz WTPUHBCMKMYYKE-LBPRGKRZSA-N -1 3 370.844 3.462 20 0 FGADHM CCN(C(=O)C[C@H](C)c1cccnc1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825367793 608345162 /nfs/dbraw/zinc/34/51/62/608345162.db2.gz WTPUHBCMKMYYKE-LBPRGKRZSA-N -1 3 370.844 3.462 20 0 FGADHM CCN(C(=O)CC[C@@H](C)SC)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825372386 608345282 /nfs/dbraw/zinc/34/52/82/608345282.db2.gz WQPSZIUTJNHCFS-SNVBAGLBSA-N -1 3 353.879 3.405 20 0 FGADHM CCN(C(=O)CC[C@@H](C)SC)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825372386 608345283 /nfs/dbraw/zinc/34/52/83/608345283.db2.gz WQPSZIUTJNHCFS-SNVBAGLBSA-N -1 3 353.879 3.405 20 0 FGADHM CCN(C(=O)C[C@H](C)c1ccncc1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825367909 608346504 /nfs/dbraw/zinc/34/65/04/608346504.db2.gz XHCWNPQCAIGHNT-LBPRGKRZSA-N -1 3 370.844 3.462 20 0 FGADHM CCN(C(=O)C[C@H](C)c1ccncc1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825367909 608346505 /nfs/dbraw/zinc/34/65/05/608346505.db2.gz XHCWNPQCAIGHNT-LBPRGKRZSA-N -1 3 370.844 3.462 20 0 FGADHM CCO[C@@H](CC(=O)N(CC)c1ccc(-c2nnn[n-]2)c(Cl)c1)C(C)C ZINC000825577384 608347412 /nfs/dbraw/zinc/34/74/12/608347412.db2.gz VWHPSLOQJXTIAU-HNNXBMFYSA-N -1 3 365.865 3.324 20 0 FGADHM CCO[C@@H](CC(=O)N(CC)c1ccc(-c2nn[n-]n2)c(Cl)c1)C(C)C ZINC000825577384 608347414 /nfs/dbraw/zinc/34/74/14/608347414.db2.gz VWHPSLOQJXTIAU-HNNXBMFYSA-N -1 3 365.865 3.324 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1CN(CC1CCC1)CC(F)(F)F ZINC000826168132 608368235 /nfs/dbraw/zinc/36/82/35/608368235.db2.gz CZFDLNJINGHSPU-UHFFFAOYSA-N -1 3 355.364 3.040 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1CN(CC1CCC1)CC(F)(F)F ZINC000826168132 608368237 /nfs/dbraw/zinc/36/82/37/608368237.db2.gz CZFDLNJINGHSPU-UHFFFAOYSA-N -1 3 355.364 3.040 20 0 FGADHM Cc1ccc(F)c(C(=O)OCc2cn3ccccc3c2-c2nnn[n-]2)c1F ZINC000826288880 608378426 /nfs/dbraw/zinc/37/84/26/608378426.db2.gz ASVQZYZUFRFMHJ-UHFFFAOYSA-N -1 3 369.331 3.063 20 0 FGADHM Cc1ccc(F)c(C(=O)OCc2cn3ccccc3c2-c2nn[n-]n2)c1F ZINC000826288880 608378427 /nfs/dbraw/zinc/37/84/27/608378427.db2.gz ASVQZYZUFRFMHJ-UHFFFAOYSA-N -1 3 369.331 3.063 20 0 FGADHM C[C@H]1CCC[C@H](NC(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)C1 ZINC000824927086 608396692 /nfs/dbraw/zinc/39/66/92/608396692.db2.gz MDOQQLRABZJUKN-KSSFIOAISA-N -1 3 366.469 3.244 20 0 FGADHM C[C@H]1CCC[C@H](NC(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC000824927086 608396693 /nfs/dbraw/zinc/39/66/93/608396693.db2.gz MDOQQLRABZJUKN-KSSFIOAISA-N -1 3 366.469 3.244 20 0 FGADHM Fc1c(CSc2nccn2-c2ccccc2)cccc1-c1nnn[n-]1 ZINC000826371811 608396848 /nfs/dbraw/zinc/39/68/48/608396848.db2.gz VFUPGPOGDBGOBV-UHFFFAOYSA-N -1 3 352.398 3.484 20 0 FGADHM Fc1c(CSc2nccn2-c2ccccc2)cccc1-c1nn[n-]n1 ZINC000826371811 608396850 /nfs/dbraw/zinc/39/68/50/608396850.db2.gz VFUPGPOGDBGOBV-UHFFFAOYSA-N -1 3 352.398 3.484 20 0 FGADHM Cc1ccc(S(=O)(=O)CCCSc2ccccc2-c2nnn[n-]2)cc1 ZINC000826292872 608397718 /nfs/dbraw/zinc/39/77/18/608397718.db2.gz PSAYPGXEIGYIQK-UHFFFAOYSA-N -1 3 374.491 3.131 20 0 FGADHM Cc1ccc(S(=O)(=O)CCCSc2ccccc2-c2nn[n-]n2)cc1 ZINC000826292872 608397720 /nfs/dbraw/zinc/39/77/20/608397720.db2.gz PSAYPGXEIGYIQK-UHFFFAOYSA-N -1 3 374.491 3.131 20 0 FGADHM Cc1nc(C2(NCc3cccc(-c4nnn[n-]4)c3F)CCCCCC2)no1 ZINC000826324564 608403229 /nfs/dbraw/zinc/40/32/29/608403229.db2.gz WRGQKSQLHASZKD-UHFFFAOYSA-N -1 3 371.420 3.037 20 0 FGADHM Cc1nc(C2(NCc3cccc(-c4nn[n-]n4)c3F)CCCCCC2)no1 ZINC000826324564 608403230 /nfs/dbraw/zinc/40/32/30/608403230.db2.gz WRGQKSQLHASZKD-UHFFFAOYSA-N -1 3 371.420 3.037 20 0 FGADHM COCc1nc(CSCc2cccc(-c3nnn[n-]3)c2F)cs1 ZINC000826166044 608403970 /nfs/dbraw/zinc/40/39/70/608403970.db2.gz TWYLNCCKDDYXTA-UHFFFAOYSA-N -1 3 351.432 3.042 20 0 FGADHM COCc1nc(CSCc2cccc(-c3nn[n-]n3)c2F)cs1 ZINC000826166044 608403972 /nfs/dbraw/zinc/40/39/72/608403972.db2.gz TWYLNCCKDDYXTA-UHFFFAOYSA-N -1 3 351.432 3.042 20 0 FGADHM Fc1ccc2[nH]c3c(c2c1)CN(Cc1cccc(-c2nnn[n-]2)c1F)CC3 ZINC000826375921 608404713 /nfs/dbraw/zinc/40/47/13/608404713.db2.gz HKMKUDUVCIUHEP-UHFFFAOYSA-N -1 3 366.375 3.185 20 0 FGADHM Fc1ccc2[nH]c3c(c2c1)CN(Cc1cccc(-c2nn[n-]n2)c1F)CC3 ZINC000826375921 608404714 /nfs/dbraw/zinc/40/47/14/608404714.db2.gz HKMKUDUVCIUHEP-UHFFFAOYSA-N -1 3 366.375 3.185 20 0 FGADHM CN(Cc1nc(-c2ccccc2)c[nH]1)Cc1cccc(-c2nnn[n-]2)c1F ZINC000825991503 608408338 /nfs/dbraw/zinc/40/83/38/608408338.db2.gz CKELIYCDQDIUMG-UHFFFAOYSA-N -1 3 363.400 3.028 20 0 FGADHM CN(Cc1nc(-c2ccccc2)c[nH]1)Cc1cccc(-c2nn[n-]n2)c1F ZINC000825991503 608408339 /nfs/dbraw/zinc/40/83/39/608408339.db2.gz CKELIYCDQDIUMG-UHFFFAOYSA-N -1 3 363.400 3.028 20 0 FGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)c1ccc(-c2cnco2)cc1 ZINC000826466655 608443857 /nfs/dbraw/zinc/44/38/57/608443857.db2.gz NOEHNOZGUBRVIU-UHFFFAOYSA-N -1 3 365.324 3.018 20 0 FGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)c1ccc(-c2cnco2)cc1 ZINC000826466655 608443858 /nfs/dbraw/zinc/44/38/58/608443858.db2.gz NOEHNOZGUBRVIU-UHFFFAOYSA-N -1 3 365.324 3.018 20 0 FGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)c1c[nH]nc1C1CCCCC1 ZINC000826465785 608446935 /nfs/dbraw/zinc/44/69/35/608446935.db2.gz BZHGKGBHPCVRRX-UHFFFAOYSA-N -1 3 370.388 3.134 20 0 FGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)c1c[nH]nc1C1CCCCC1 ZINC000826465785 608446937 /nfs/dbraw/zinc/44/69/37/608446937.db2.gz BZHGKGBHPCVRRX-UHFFFAOYSA-N -1 3 370.388 3.134 20 0 FGADHM CC(=CC(=O)OCc1cccc(-c2nnn[n-]2)c1F)c1cccc(F)c1 ZINC000823942957 608447815 /nfs/dbraw/zinc/44/78/15/608447815.db2.gz LWAKQFWWXPQBFI-DHZHZOJOSA-N -1 3 356.332 3.292 20 0 FGADHM CC(=CC(=O)OCc1cccc(-c2nn[n-]n2)c1F)c1cccc(F)c1 ZINC000823942957 608447817 /nfs/dbraw/zinc/44/78/17/608447817.db2.gz LWAKQFWWXPQBFI-DHZHZOJOSA-N -1 3 356.332 3.292 20 0 FGADHM COc1cccc([C@H](C)CC(=O)OCc2cccc(-c3nnn[n-]3)c2F)c1 ZINC000826214838 608451100 /nfs/dbraw/zinc/45/11/00/608451100.db2.gz YLEMKAJUSORISU-GFCCVEGCSA-N -1 3 370.384 3.251 20 0 FGADHM COc1cccc([C@H](C)CC(=O)OCc2cccc(-c3nn[n-]n3)c2F)c1 ZINC000826214838 608451102 /nfs/dbraw/zinc/45/11/02/608451102.db2.gz YLEMKAJUSORISU-GFCCVEGCSA-N -1 3 370.384 3.251 20 0 FGADHM O=C(/C=C/SCc1ccco1)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826399823 608451810 /nfs/dbraw/zinc/45/18/10/608451810.db2.gz HEVIKTANOCNOPE-SOFGYWHQSA-N -1 3 360.370 3.089 20 0 FGADHM O=C(/C=C/SCc1ccco1)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826399823 608451811 /nfs/dbraw/zinc/45/18/11/608451811.db2.gz HEVIKTANOCNOPE-SOFGYWHQSA-N -1 3 360.370 3.089 20 0 FGADHM CC(C)(C)[C@@H](OC(=O)C=Cc1ccccc1-c1nnn[n-]1)C(F)(F)F ZINC000824071522 608454513 /nfs/dbraw/zinc/45/45/13/608454513.db2.gz JNZIGACWMFMVCQ-QIAWRQBBSA-N -1 3 354.332 3.400 20 0 FGADHM CC(C)(C)[C@@H](OC(=O)C=Cc1ccccc1-c1nn[n-]n1)C(F)(F)F ZINC000824071522 608454514 /nfs/dbraw/zinc/45/45/14/608454514.db2.gz JNZIGACWMFMVCQ-QIAWRQBBSA-N -1 3 354.332 3.400 20 0 FGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)[C@H](c1ccccc1)C1CC1 ZINC000826466131 608455624 /nfs/dbraw/zinc/45/56/24/608455624.db2.gz PSUKWKGTAHKWSH-MRXNPFEDSA-N -1 3 352.369 3.243 20 0 FGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)[C@H](c1ccccc1)C1CC1 ZINC000826466131 608455626 /nfs/dbraw/zinc/45/56/26/608455626.db2.gz PSUKWKGTAHKWSH-MRXNPFEDSA-N -1 3 352.369 3.243 20 0 FGADHM Cn1c2ccccc2nc1CN1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826355393 608465769 /nfs/dbraw/zinc/46/57/69/608465769.db2.gz XQFQKPDPBWKCCN-UHFFFAOYSA-N -1 3 371.448 3.043 20 0 FGADHM C[C@H](NCc1coc(-c2cccs2)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000824624591 608484749 /nfs/dbraw/zinc/48/47/49/608484749.db2.gz AMIGTBVXHNPKEL-NSHDSACASA-N -1 3 352.423 3.434 20 0 FGADHM c1sc(C2CC2)nc1CN[C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000826518115 608511874 /nfs/dbraw/zinc/51/18/74/608511874.db2.gz CDGCTZAVKGAOKC-INIZCTEOSA-N -1 3 352.467 3.368 20 0 FGADHM CC(C)c1nnc(CN[C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)s1 ZINC000824364387 608515861 /nfs/dbraw/zinc/51/58/61/608515861.db2.gz DPAPXXTUQBLPEY-CQSZACIVSA-N -1 3 355.471 3.009 20 0 FGADHM Brc1ccoc1CN(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000823832433 608518275 /nfs/dbraw/zinc/51/82/75/608518275.db2.gz OBFSSUXPBJNPGO-UHFFFAOYSA-N -1 3 374.242 3.387 20 0 FGADHM Brc1ccoc1CN(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000823832433 608518276 /nfs/dbraw/zinc/51/82/76/608518276.db2.gz OBFSSUXPBJNPGO-UHFFFAOYSA-N -1 3 374.242 3.387 20 0 FGADHM Cc1ccc(-c2nnc(CNC3(c4cccc(-c5nnn[n-]5)c4)CC3)o2)cc1 ZINC000826273377 608532574 /nfs/dbraw/zinc/53/25/74/608532574.db2.gz AYGBGTMNHAOWAD-UHFFFAOYSA-N -1 3 373.420 3.004 20 0 FGADHM Cc1ccc(-c2nnc(CNC3(c4cccc(-c5nn[n-]n5)c4)CC3)o2)cc1 ZINC000826273377 608532575 /nfs/dbraw/zinc/53/25/75/608532575.db2.gz AYGBGTMNHAOWAD-UHFFFAOYSA-N -1 3 373.420 3.004 20 0 FGADHM CC(C)(C)OC(=O)c1ccccc1NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824113851 608546643 /nfs/dbraw/zinc/54/66/43/608546643.db2.gz FSRHXHORTHLHDH-UHFFFAOYSA-N -1 3 365.393 3.074 20 0 FGADHM CC(C)(C)OC(=O)c1ccccc1NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824113851 608546644 /nfs/dbraw/zinc/54/66/44/608546644.db2.gz FSRHXHORTHLHDH-UHFFFAOYSA-N -1 3 365.393 3.074 20 0 FGADHM C[C@H](NC(=O)c1ccc(F)c(Cl)c1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000824521227 608574707 /nfs/dbraw/zinc/57/47/07/608574707.db2.gz IJXLUFBFFFKEDU-QMMMGPOBSA-N -1 3 363.755 3.289 20 0 FGADHM C[C@H](NC(=O)c1ccc(F)c(Cl)c1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000824521227 608574708 /nfs/dbraw/zinc/57/47/08/608574708.db2.gz IJXLUFBFFFKEDU-QMMMGPOBSA-N -1 3 363.755 3.289 20 0 FGADHM O=C(N[C@H](c1ccccc1)C1CC1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826427462 608575800 /nfs/dbraw/zinc/57/58/00/608575800.db2.gz QEOSFAVFPWRZEO-MRXNPFEDSA-N -1 3 353.813 3.401 20 0 FGADHM O=C(N[C@H](c1ccccc1)C1CC1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826427462 608575801 /nfs/dbraw/zinc/57/58/01/608575801.db2.gz QEOSFAVFPWRZEO-MRXNPFEDSA-N -1 3 353.813 3.401 20 0 FGADHM Cc1cc(N(C)C)ccc1NC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826268860 608575828 /nfs/dbraw/zinc/57/58/28/608575828.db2.gz QHEHLGUQCNLRLR-UHFFFAOYSA-N -1 3 356.817 3.147 20 0 FGADHM Cc1cc(N(C)C)ccc1NC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826268860 608575829 /nfs/dbraw/zinc/57/58/29/608575829.db2.gz QHEHLGUQCNLRLR-UHFFFAOYSA-N -1 3 356.817 3.147 20 0 FGADHM Cc1cn(Cc2cccc(NC(=O)OC(C)(C)C)c2)cc1-c1nnn[n-]1 ZINC000826317017 608584608 /nfs/dbraw/zinc/58/46/08/608584608.db2.gz JGXFEYKSKWAYNM-UHFFFAOYSA-N -1 3 354.414 3.372 20 0 FGADHM Cc1cn(Cc2cccc(NC(=O)OC(C)(C)C)c2)cc1-c1nn[n-]n1 ZINC000826317017 608584611 /nfs/dbraw/zinc/58/46/11/608584611.db2.gz JGXFEYKSKWAYNM-UHFFFAOYSA-N -1 3 354.414 3.372 20 0 FGADHM O=C(N[C@H]1CCCOc2cc(Cl)ccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000826430827 608593114 /nfs/dbraw/zinc/59/31/14/608593114.db2.gz LHKOHBMDMQEGCN-HNNXBMFYSA-N -1 3 369.812 3.164 20 0 FGADHM O=C(N[C@H]1CCCOc2cc(Cl)ccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000826430827 608593118 /nfs/dbraw/zinc/59/31/18/608593118.db2.gz LHKOHBMDMQEGCN-HNNXBMFYSA-N -1 3 369.812 3.164 20 0 FGADHM O=C(c1ccc(-c2nnn[n-]2)cc1)N1CC=C(c2ccccc2Cl)CC1 ZINC000826471768 608601461 /nfs/dbraw/zinc/60/14/61/608601461.db2.gz MGIANTJQLVQZSO-UHFFFAOYSA-N -1 3 365.824 3.450 20 0 FGADHM O=C(c1ccc(-c2nn[n-]n2)cc1)N1CC=C(c2ccccc2Cl)CC1 ZINC000826471768 608601463 /nfs/dbraw/zinc/60/14/63/608601463.db2.gz MGIANTJQLVQZSO-UHFFFAOYSA-N -1 3 365.824 3.450 20 0 FGADHM Fc1cccc(F)c1CN1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826377040 608603830 /nfs/dbraw/zinc/60/38/30/608603830.db2.gz BGYQDBXNCOBZPM-UHFFFAOYSA-N -1 3 371.391 3.188 20 0 FGADHM Fc1cccc(F)c1CN1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826377040 608603833 /nfs/dbraw/zinc/60/38/33/608603833.db2.gz BGYQDBXNCOBZPM-UHFFFAOYSA-N -1 3 371.391 3.188 20 0 FGADHM CC(C)Oc1ccc(NC(=O)N2C[C@@H](C)CC[C@@H]2C)cc1-c1nnn[n-]1 ZINC000824907559 608608016 /nfs/dbraw/zinc/60/80/16/608608016.db2.gz IYCRUAOXTPTOSI-STQMWFEESA-N -1 3 358.446 3.306 20 0 FGADHM CC(C)Oc1ccc(NC(=O)N2C[C@@H](C)CC[C@@H]2C)cc1-c1nn[n-]n1 ZINC000824907559 608608018 /nfs/dbraw/zinc/60/80/18/608608018.db2.gz IYCRUAOXTPTOSI-STQMWFEESA-N -1 3 358.446 3.306 20 0 FGADHM Cn1c2ccccc2nc1[C@@H]1CCCN1Cc1cc(-c2nnn[n-]2)cs1 ZINC000826355011 608612305 /nfs/dbraw/zinc/61/23/05/608612305.db2.gz GQLXZACIJBRZBA-INIZCTEOSA-N -1 3 365.466 3.152 20 0 FGADHM Cn1c2ccccc2nc1[C@@H]1CCCN1Cc1cc(-c2nn[n-]n2)cs1 ZINC000826355011 608612309 /nfs/dbraw/zinc/61/23/09/608612309.db2.gz GQLXZACIJBRZBA-INIZCTEOSA-N -1 3 365.466 3.152 20 0 FGADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Oc1c(F)cccc1Cl ZINC000824738495 608670722 /nfs/dbraw/zinc/67/07/22/608670722.db2.gz PIBQWKDVYWQDFS-SECBINFHSA-N -1 3 362.748 3.032 20 0 FGADHM CC1(C)CO[C@@H](c2ccccc2)CN1Cc1cc(-c2nnn[n-]2)cs1 ZINC000824812468 608673884 /nfs/dbraw/zinc/67/38/84/608673884.db2.gz NGBXOZGCUANKST-MRXNPFEDSA-N -1 3 355.467 3.280 20 0 FGADHM CC1(C)CO[C@@H](c2ccccc2)CN1Cc1cc(-c2nn[n-]n2)cs1 ZINC000824812468 608673885 /nfs/dbraw/zinc/67/38/85/608673885.db2.gz NGBXOZGCUANKST-MRXNPFEDSA-N -1 3 355.467 3.280 20 0 FGADHM CC1(C)CO[C@H](c2ccccc2)CN1Cc1ccc(-c2nnn[n-]2)s1 ZINC000824811812 608673955 /nfs/dbraw/zinc/67/39/55/608673955.db2.gz CZTGBKSIOHANLG-HNNXBMFYSA-N -1 3 355.467 3.280 20 0 FGADHM c1ccc(OCc2cccc(CNc3cnccc3-c3nnn[n-]3)c2)cc1 ZINC000826522449 608778733 /nfs/dbraw/zinc/77/87/33/608778733.db2.gz BDVAPZPTAMCALP-UHFFFAOYSA-N -1 3 358.405 3.453 20 0 FGADHM c1ccc(OCc2cccc(CNc3cnccc3-c3nn[n-]n3)c2)cc1 ZINC000826522449 608778736 /nfs/dbraw/zinc/77/87/36/608778736.db2.gz BDVAPZPTAMCALP-UHFFFAOYSA-N -1 3 358.405 3.453 20 0 FGADHM Clc1cscc1CN1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826354079 608854651 /nfs/dbraw/zinc/85/46/51/608854651.db2.gz OWACBKZGWIEQTG-HNNXBMFYSA-N -1 3 361.858 3.155 20 0 FGADHM Clc1cscc1CN1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826354079 608854654 /nfs/dbraw/zinc/85/46/54/608854654.db2.gz OWACBKZGWIEQTG-HNNXBMFYSA-N -1 3 361.858 3.155 20 0 FGADHM OC1CCN(c2ccc(NC3CCCCCCC3)cc2-c2nnn[n-]2)CC1 ZINC000826507429 608861554 /nfs/dbraw/zinc/86/15/54/608861554.db2.gz OGNHAHALYXIERI-UHFFFAOYSA-N -1 3 370.501 3.353 20 0 FGADHM OC1CCN(c2ccc(NC3CCCCCCC3)cc2-c2nn[n-]n2)CC1 ZINC000826507429 608861555 /nfs/dbraw/zinc/86/15/55/608861555.db2.gz OGNHAHALYXIERI-UHFFFAOYSA-N -1 3 370.501 3.353 20 0 FGADHM c1cc(NCc2ccc(OCc3ccncc3)cc2)cc(-c2nnn[n-]2)c1 ZINC000826516998 608869401 /nfs/dbraw/zinc/86/94/01/608869401.db2.gz LOZBELSIZFLHKI-UHFFFAOYSA-N -1 3 358.405 3.453 20 0 FGADHM c1cc(NCc2ccc(OCc3ccncc3)cc2)cc(-c2nn[n-]n2)c1 ZINC000826516998 608869402 /nfs/dbraw/zinc/86/94/02/608869402.db2.gz LOZBELSIZFLHKI-UHFFFAOYSA-N -1 3 358.405 3.453 20 0 FGADHM COc1cc(CNc2cccc(-c3nnn[n-]3)c2)c(SC)cc1OC ZINC000393395616 608870841 /nfs/dbraw/zinc/87/08/41/608870841.db2.gz MJODWJZYSQOAHA-UHFFFAOYSA-N -1 3 357.439 3.218 20 0 FGADHM COc1cc(CNc2cccc(-c3nn[n-]n3)c2)c(SC)cc1OC ZINC000393395616 608870843 /nfs/dbraw/zinc/87/08/43/608870843.db2.gz MJODWJZYSQOAHA-UHFFFAOYSA-N -1 3 357.439 3.218 20 0 FGADHM C[C@@H](NCc1cccc2c1OCCCO2)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824619748 609153436 /nfs/dbraw/zinc/15/34/36/609153436.db2.gz ZRTMDVNTZFRVNK-GFCCVEGCSA-N -1 3 369.400 3.018 20 0 FGADHM CC(=O)Nc1cc(N[C@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)ccc1C ZINC000824000209 609165195 /nfs/dbraw/zinc/16/51/95/609165195.db2.gz ZPMWPGWTIVNFFO-LLVKDONJSA-N -1 3 354.389 3.446 20 0 FGADHM CC(=O)Nc1cc(N[C@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)ccc1C ZINC000824000209 609165197 /nfs/dbraw/zinc/16/51/97/609165197.db2.gz ZPMWPGWTIVNFFO-LLVKDONJSA-N -1 3 354.389 3.446 20 0 FGADHM Cn1cc(CN2CCCc3ccccc32)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826360861 609170966 /nfs/dbraw/zinc/17/09/66/609170966.db2.gz AZHOVSVNNSXYBR-UHFFFAOYSA-N -1 3 371.448 3.220 20 0 FGADHM Cn1cc(CN2CCCc3ccccc32)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826360861 609170968 /nfs/dbraw/zinc/17/09/68/609170968.db2.gz AZHOVSVNNSXYBR-UHFFFAOYSA-N -1 3 371.448 3.220 20 0 FGADHM COCCOc1cccc(N[C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)c1 ZINC000826163215 609176456 /nfs/dbraw/zinc/17/64/56/609176456.db2.gz KUXBCBXFGVDART-IBGZPJMESA-N -1 3 365.437 3.381 20 0 FGADHM COCCOc1cccc(N[C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)c1 ZINC000826163215 609176457 /nfs/dbraw/zinc/17/64/57/609176457.db2.gz KUXBCBXFGVDART-IBGZPJMESA-N -1 3 365.437 3.381 20 0 FGADHM C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000824771159 609204029 /nfs/dbraw/zinc/20/40/29/609204029.db2.gz PSWMGLMSQOZDDE-SECBINFHSA-N -1 3 364.331 3.047 20 0 FGADHM C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000824771159 609204030 /nfs/dbraw/zinc/20/40/30/609204030.db2.gz PSWMGLMSQOZDDE-SECBINFHSA-N -1 3 364.331 3.047 20 0 FGADHM COc1ccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)cc1NC(C)=O ZINC000826210242 609237794 /nfs/dbraw/zinc/23/77/94/609237794.db2.gz JYPHLCQTMRTPSA-JTQLQIEISA-N -1 3 370.388 3.146 20 0 FGADHM COc1ccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)cc1NC(C)=O ZINC000826210242 609237796 /nfs/dbraw/zinc/23/77/96/609237796.db2.gz JYPHLCQTMRTPSA-JTQLQIEISA-N -1 3 370.388 3.146 20 0 FGADHM C[C@@H](OC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000824716284 609256320 /nfs/dbraw/zinc/25/63/20/609256320.db2.gz XPDVRCLBCHWGHP-KDOFPFPSSA-N -1 3 363.421 3.140 20 0 FGADHM COCCOc1ccccc1N[C@H](C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826163506 609276718 /nfs/dbraw/zinc/27/67/18/609276718.db2.gz XPOAYCKNVGAJOF-GFCCVEGCSA-N -1 3 357.389 3.204 20 0 FGADHM COCCOc1ccccc1N[C@H](C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826163506 609276719 /nfs/dbraw/zinc/27/67/19/609276719.db2.gz XPOAYCKNVGAJOF-GFCCVEGCSA-N -1 3 357.389 3.204 20 0 FGADHM Fc1ccc(CNc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)c(F)c1 ZINC000826375017 609279203 /nfs/dbraw/zinc/27/92/03/609279203.db2.gz WRQWVQCUKWDGQX-UHFFFAOYSA-N -1 3 371.326 3.082 20 0 FGADHM COc1cc(OC)c(OC)cc1N[C@H](C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826181274 609280007 /nfs/dbraw/zinc/28/00/07/609280007.db2.gz SFJNYTNZDPPPOI-SNVBAGLBSA-N -1 3 373.388 3.205 20 0 FGADHM COc1cc(OC)c(OC)cc1N[C@H](C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826181274 609280009 /nfs/dbraw/zinc/28/00/09/609280009.db2.gz SFJNYTNZDPPPOI-SNVBAGLBSA-N -1 3 373.388 3.205 20 0 FGADHM CSc1ccccc1CSCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000826231584 609282500 /nfs/dbraw/zinc/28/25/00/609282500.db2.gz QPGFJSVQTJFYAC-UHFFFAOYSA-N -1 3 371.491 3.461 20 0 FGADHM CSc1ccccc1CSCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000826231584 609282503 /nfs/dbraw/zinc/28/25/03/609282503.db2.gz QPGFJSVQTJFYAC-UHFFFAOYSA-N -1 3 371.491 3.461 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)O[C@@H](C)c1nc(C2CC2)cs1 ZINC000826251594 609286429 /nfs/dbraw/zinc/28/64/29/609286429.db2.gz UZUIFBQIAXJQTB-JTQLQIEISA-N -1 3 355.423 3.427 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)O[C@@H](C)c1nc(C2CC2)cs1 ZINC000826251594 609286430 /nfs/dbraw/zinc/28/64/30/609286430.db2.gz UZUIFBQIAXJQTB-JTQLQIEISA-N -1 3 355.423 3.427 20 0 FGADHM CC(C)(C)Cc1cc(NC(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)n[nH]1 ZINC000824094301 609290929 /nfs/dbraw/zinc/29/09/29/609290929.db2.gz QXLTZWRAZFWAGQ-UHFFFAOYSA-N -1 3 359.821 3.084 20 0 FGADHM CC(C)(C)Cc1cc(NC(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)n[nH]1 ZINC000824094301 609290930 /nfs/dbraw/zinc/29/09/30/609290930.db2.gz QXLTZWRAZFWAGQ-UHFFFAOYSA-N -1 3 359.821 3.084 20 0 FGADHM C[C@H]1CN(C(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)[C@@H]1c1ccccc1 ZINC000824974532 609291705 /nfs/dbraw/zinc/29/17/05/609291705.db2.gz APFNKIQTPFOSSW-ZBEGNZNMSA-N -1 3 353.813 3.353 20 0 FGADHM C[C@H]1CN(C(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)[C@@H]1c1ccccc1 ZINC000824974532 609291707 /nfs/dbraw/zinc/29/17/07/609291707.db2.gz APFNKIQTPFOSSW-ZBEGNZNMSA-N -1 3 353.813 3.353 20 0 FGADHM Cc1c(C(=O)OCc2ccc(-c3nnn[n-]3)cc2)cnn1C1CCCCC1 ZINC000826234603 609295675 /nfs/dbraw/zinc/29/56/75/609295675.db2.gz FKAGFTLKXHHTNC-UHFFFAOYSA-N -1 3 366.425 3.234 20 0 FGADHM Cc1c(C(=O)OCc2ccc(-c3nn[n-]n3)cc2)cnn1C1CCCCC1 ZINC000826234603 609295677 /nfs/dbraw/zinc/29/56/77/609295677.db2.gz FKAGFTLKXHHTNC-UHFFFAOYSA-N -1 3 366.425 3.234 20 0 FGADHM Cc1cccnc1[C@@H](NC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)C(C)C ZINC000826308220 609300313 /nfs/dbraw/zinc/30/03/13/609300313.db2.gz OWCBJABXVCYIES-HNNXBMFYSA-N -1 3 370.844 3.351 20 0 FGADHM Cc1cccnc1[C@@H](NC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)C(C)C ZINC000826308220 609300314 /nfs/dbraw/zinc/30/03/14/609300314.db2.gz OWCBJABXVCYIES-HNNXBMFYSA-N -1 3 370.844 3.351 20 0 FGADHM Cn1cc(CNc2nc3ccccc3o2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826362359 609303165 /nfs/dbraw/zinc/30/31/65/609303165.db2.gz OYJIEQJWNPQYGZ-UHFFFAOYSA-N -1 3 372.392 3.021 20 0 FGADHM Cn1cc(CNc2nc3ccccc3o2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826362359 609303167 /nfs/dbraw/zinc/30/31/67/609303167.db2.gz OYJIEQJWNPQYGZ-UHFFFAOYSA-N -1 3 372.392 3.021 20 0 FGADHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(N3CCC[C@H](OC(F)F)C3)c2c1 ZINC000826263808 609316956 /nfs/dbraw/zinc/31/69/56/609316956.db2.gz RIDOIPUHJJQWJI-LBPRGKRZSA-N -1 3 374.395 3.240 20 0 FGADHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(N3CCC[C@H](OC(F)F)C3)c2c1 ZINC000826263808 609316958 /nfs/dbraw/zinc/31/69/58/609316958.db2.gz RIDOIPUHJJQWJI-LBPRGKRZSA-N -1 3 374.395 3.240 20 0 FGADHM Fc1cccc(-n2ccc(NC/C=C\c3ccccc3)n2)c1-c1nnn[n-]1 ZINC000826376686 609320743 /nfs/dbraw/zinc/32/07/43/609320743.db2.gz NTUWQEHRYIUCIG-YVMONPNESA-N -1 3 361.384 3.317 20 0 FGADHM CCC(CC)[C@@H]1C[C@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)CCO1 ZINC000825106624 609322126 /nfs/dbraw/zinc/32/21/26/609322126.db2.gz GSVIPXHBDZQOPX-OCCSQVGLSA-N -1 3 350.854 3.311 20 0 FGADHM CCC(CC)[C@@H]1C[C@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)CCO1 ZINC000825106624 609322127 /nfs/dbraw/zinc/32/21/27/609322127.db2.gz GSVIPXHBDZQOPX-OCCSQVGLSA-N -1 3 350.854 3.311 20 0 FGADHM C[C@@H](CSCC(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000824447742 609329961 /nfs/dbraw/zinc/32/99/61/609329961.db2.gz BZZDUFNSHASANG-ZDUSSCGKSA-N -1 3 353.451 3.342 20 0 FGADHM C[C@@H](CSCC(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000824447742 609329963 /nfs/dbraw/zinc/32/99/63/609329963.db2.gz BZZDUFNSHASANG-ZDUSSCGKSA-N -1 3 353.451 3.342 20 0 FGADHM Cc1cc(NC(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)ccn1 ZINC000826270644 609332531 /nfs/dbraw/zinc/33/25/31/609332531.db2.gz JBUQXVPMOPLUEN-UHFFFAOYSA-N -1 3 372.388 3.037 20 0 FGADHM Cc1cc(NC(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)ccn1 ZINC000826270644 609332533 /nfs/dbraw/zinc/33/25/33/609332533.db2.gz JBUQXVPMOPLUEN-UHFFFAOYSA-N -1 3 372.388 3.037 20 0 FGADHM CCC(CC)C(=O)OCc1ccc(-c2nnn[n-]2)cc1Br ZINC000825095930 609342385 /nfs/dbraw/zinc/34/23/85/609342385.db2.gz KRFOURQWKWRBIB-UHFFFAOYSA-N -1 3 353.220 3.109 20 0 FGADHM CCC(CC)C(=O)OCc1ccc(-c2nn[n-]n2)cc1Br ZINC000825095930 609342387 /nfs/dbraw/zinc/34/23/87/609342387.db2.gz KRFOURQWKWRBIB-UHFFFAOYSA-N -1 3 353.220 3.109 20 0 FGADHM C[C@@H](NCc1c(F)c(F)cc(F)c1F)c1ccc(-c2nnn[n-]2)cc1F ZINC000824607503 609342784 /nfs/dbraw/zinc/34/27/84/609342784.db2.gz ZIETZLVBBZPCMQ-SSDOTTSWSA-N -1 3 369.297 3.413 20 0 FGADHM C[C@@H](NCc1c(F)c(F)cc(F)c1F)c1ccc(-c2nn[n-]n2)cc1F ZINC000824607503 609342785 /nfs/dbraw/zinc/34/27/85/609342785.db2.gz ZIETZLVBBZPCMQ-SSDOTTSWSA-N -1 3 369.297 3.413 20 0 FGADHM C[C@H](NCc1ccn(C2CCCC2)n1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824626502 609343767 /nfs/dbraw/zinc/34/37/67/609343767.db2.gz PHKCNBDLFGPOKA-LBPRGKRZSA-N -1 3 355.421 3.168 20 0 FGADHM C[C@H](NCc1ccn(C2CCCC2)n1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824626502 609343769 /nfs/dbraw/zinc/34/37/69/609343769.db2.gz PHKCNBDLFGPOKA-LBPRGKRZSA-N -1 3 355.421 3.168 20 0 FGADHM CC(C)[C@@H](N[C@H](C)c1ccc(-c2nnn[n-]2)cc1F)C(=O)OC(C)(C)C ZINC000824648605 609347542 /nfs/dbraw/zinc/34/75/42/609347542.db2.gz HFEYUHQYJIPUQY-IAQYHMDHSA-N -1 3 363.437 3.023 20 0 FGADHM CC(C)[C@@H](N[C@H](C)c1ccc(-c2nn[n-]n2)cc1F)C(=O)OC(C)(C)C ZINC000824648605 609347544 /nfs/dbraw/zinc/34/75/44/609347544.db2.gz HFEYUHQYJIPUQY-IAQYHMDHSA-N -1 3 363.437 3.023 20 0 FGADHM C[C@@H]1CCC[C@@H](Nc2ccc(N3CCC(O)CC3)c(-c3nnn[n-]3)c2)[C@@H]1C ZINC000824927077 609348062 /nfs/dbraw/zinc/34/80/62/609348062.db2.gz LZJUWBRWMIPDQL-HBUWYVDXSA-N -1 3 370.501 3.064 20 0 FGADHM C[C@@H]1CCC[C@@H](Nc2ccc(N3CCC(O)CC3)c(-c3nn[n-]n3)c2)[C@@H]1C ZINC000824927077 609348063 /nfs/dbraw/zinc/34/80/63/609348063.db2.gz LZJUWBRWMIPDQL-HBUWYVDXSA-N -1 3 370.501 3.064 20 0 FGADHM CC[C@@H]1C[C@@H](CC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)CCO1 ZINC000825182732 609375962 /nfs/dbraw/zinc/37/59/62/609375962.db2.gz LYIQUGKBQCFJAX-FUHWJXTLSA-N -1 3 371.485 3.199 20 0 FGADHM CC[C@@H]1C[C@@H](CC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)CCO1 ZINC000825182732 609375965 /nfs/dbraw/zinc/37/59/65/609375965.db2.gz LYIQUGKBQCFJAX-FUHWJXTLSA-N -1 3 371.485 3.199 20 0 FGADHM CC(C)(C)C[C@@H](NC(=O)Nc1ccc(F)cc1-c1nnn[n-]1)C(F)(F)F ZINC000824087485 609380404 /nfs/dbraw/zinc/38/04/04/609380404.db2.gz VPFXTZODLYAIQY-LLVKDONJSA-N -1 3 374.342 3.494 20 0 FGADHM CC(C)(C)C[C@@H](NC(=O)Nc1ccc(F)cc1-c1nn[n-]n1)C(F)(F)F ZINC000824087485 609380406 /nfs/dbraw/zinc/38/04/06/609380406.db2.gz VPFXTZODLYAIQY-LLVKDONJSA-N -1 3 374.342 3.494 20 0 FGADHM COc1ccc2c(c1)C[C@@H](C)N(C(=O)c1ccc(-c3nnn[n-]3)cc1)[C@H]2C ZINC000826212344 609408578 /nfs/dbraw/zinc/40/85/78/609408578.db2.gz NOZWBMZKVMIHPG-OLZOCXBDSA-N -1 3 363.421 3.023 20 0 FGADHM COc1ccc2c(c1)C[C@@H](C)N(C(=O)c1ccc(-c3nn[n-]n3)cc1)[C@H]2C ZINC000826212344 609408581 /nfs/dbraw/zinc/40/85/81/609408581.db2.gz NOZWBMZKVMIHPG-OLZOCXBDSA-N -1 3 363.421 3.023 20 0 FGADHM CCc1csc([C@H]2CCCN(c3ccc(F)cc3-c3nnn[n-]3)C2)n1 ZINC000825740208 609425433 /nfs/dbraw/zinc/42/54/33/609425433.db2.gz RBSPXLUVXGZEDX-NSHDSACASA-N -1 3 358.446 3.409 20 0 FGADHM CCc1csc([C@H]2CCCN(c3ccc(F)cc3-c3nn[n-]n3)C2)n1 ZINC000825740208 609425435 /nfs/dbraw/zinc/42/54/35/609425435.db2.gz RBSPXLUVXGZEDX-NSHDSACASA-N -1 3 358.446 3.409 20 0 FGADHM Cc1onc(-c2ccccc2)c1C(=O)OCc1cccc(-c2nnn[n-]2)c1 ZINC000826343045 609437275 /nfs/dbraw/zinc/43/72/75/609437275.db2.gz KFOXJEXVEHFQAC-UHFFFAOYSA-N -1 3 361.361 3.187 20 0 FGADHM Cc1onc(-c2ccccc2)c1C(=O)OCc1cccc(-c2nn[n-]n2)c1 ZINC000826343045 609437277 /nfs/dbraw/zinc/43/72/77/609437277.db2.gz KFOXJEXVEHFQAC-UHFFFAOYSA-N -1 3 361.361 3.187 20 0 FGADHM O=C(Nc1cccc(OCCc2ccccc2)c1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826456925 609442552 /nfs/dbraw/zinc/44/25/52/609442552.db2.gz DYFQTZBSTSQGGS-UHFFFAOYSA-N -1 3 374.404 3.069 20 0 FGADHM O=C(Nc1cccc(OCCc2ccccc2)c1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826456925 609442553 /nfs/dbraw/zinc/44/25/53/609442553.db2.gz DYFQTZBSTSQGGS-UHFFFAOYSA-N -1 3 374.404 3.069 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H](C)Cc1ccc(C)cc1 ZINC000826185496 609450443 /nfs/dbraw/zinc/45/04/43/609450443.db2.gz LJKQVOFMBRFQAU-ZDUSSCGKSA-N -1 3 351.410 3.001 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H](C)Cc1ccc(C)cc1 ZINC000826185496 609450445 /nfs/dbraw/zinc/45/04/45/609450445.db2.gz LJKQVOFMBRFQAU-ZDUSSCGKSA-N -1 3 351.410 3.001 20 0 FGADHM Cn1cccc1C(=O)CSc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826363537 609451369 /nfs/dbraw/zinc/45/13/69/609451369.db2.gz QXQQXDRVBCCRCQ-UHFFFAOYSA-N -1 3 367.356 3.199 20 0 FGADHM Cn1cccc1C(=O)CSc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826363537 609451372 /nfs/dbraw/zinc/45/13/72/609451372.db2.gz QXQQXDRVBCCRCQ-UHFFFAOYSA-N -1 3 367.356 3.199 20 0 FGADHM c1ccn2c(c1)nc(NCCNc1cccc3ccccc31)c2-c1nnn[n-]1 ZINC000826523560 609458369 /nfs/dbraw/zinc/45/83/69/609458369.db2.gz QCZKMVSDEHJFGG-UHFFFAOYSA-N -1 3 370.420 3.192 20 0 FGADHM c1ccn2c(c1)nc(NCCNc1cccc3ccccc31)c2-c1nn[n-]n1 ZINC000826523560 609458370 /nfs/dbraw/zinc/45/83/70/609458370.db2.gz QCZKMVSDEHJFGG-UHFFFAOYSA-N -1 3 370.420 3.192 20 0 FGADHM Fc1cccc2c1SCC[C@H]2Nc1nc2ccccn2c1-c1nnn[n-]1 ZINC000826378057 609462150 /nfs/dbraw/zinc/46/21/50/609462150.db2.gz SORJYQIRBDCJHT-GFCCVEGCSA-N -1 3 367.413 3.303 20 0 FGADHM Fc1cccc2c1SCC[C@H]2Nc1nc2ccccn2c1-c1nn[n-]n1 ZINC000826378057 609462152 /nfs/dbraw/zinc/46/21/52/609462152.db2.gz SORJYQIRBDCJHT-GFCCVEGCSA-N -1 3 367.413 3.303 20 0 FGADHM COc1ccc2c(c1)CCC[C@H]2Nc1nc2ccccn2c1-c1nnn[n-]1 ZINC000826212515 609466206 /nfs/dbraw/zinc/46/62/06/609466206.db2.gz TVVWBGDJEQQHEL-OAHLLOKOSA-N -1 3 361.409 3.013 20 0 FGADHM COc1ccc2c(c1)CCC[C@H]2Nc1nc2ccccn2c1-c1nn[n-]n1 ZINC000826212515 609466209 /nfs/dbraw/zinc/46/62/09/609466209.db2.gz TVVWBGDJEQQHEL-OAHLLOKOSA-N -1 3 361.409 3.013 20 0 FGADHM Cc1c(NCc2cc(O)ccc2Br)cccc1-c1nn[n-]n1 ZINC000826242620 609486631 /nfs/dbraw/zinc/48/66/31/609486631.db2.gz XWGKSLRCMZYZIW-UHFFFAOYSA-N -1 3 360.215 3.255 20 0 FGADHM Cc1ccc2oc(SCCCOc3ccc(-c4nn[n-]n4)cc3)nc2n1 ZINC000826295497 609490682 /nfs/dbraw/zinc/49/06/82/609490682.db2.gz JPWIDJDNAJMMSW-UHFFFAOYSA-N -1 3 368.422 3.273 20 0 FGADHM CC(C)Oc1ccc(NCc2ccccc2N(C)C)cc1-c1nnn[n-]1 ZINC000824329382 609492266 /nfs/dbraw/zinc/49/22/66/609492266.db2.gz OBFUKWYPRAJLOG-UHFFFAOYSA-N -1 3 352.442 3.332 20 0 FGADHM CC(C)Oc1ccc(NCc2ccccc2N(C)C)cc1-c1nn[n-]n1 ZINC000824329382 609492267 /nfs/dbraw/zinc/49/22/67/609492267.db2.gz OBFUKWYPRAJLOG-UHFFFAOYSA-N -1 3 352.442 3.332 20 0 FGADHM CCc1cccc(NC(=O)c2cc(C)n(-c3cccc(-c4nnn[n-]4)c3)n2)c1 ZINC000825722401 609506272 /nfs/dbraw/zinc/50/62/72/609506272.db2.gz FCNYONFFBUYQLN-UHFFFAOYSA-N -1 3 373.420 3.176 20 0 FGADHM CCc1cccc(NC(=O)c2cc(C)n(-c3cccc(-c4nn[n-]n4)c3)n2)c1 ZINC000825722401 609506274 /nfs/dbraw/zinc/50/62/74/609506274.db2.gz FCNYONFFBUYQLN-UHFFFAOYSA-N -1 3 373.420 3.176 20 0 FGADHM CCC[C@@H]1C[C@@H](C(=O)N(CC)[C@H](C)c2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000825251248 609523493 /nfs/dbraw/zinc/52/34/93/609523493.db2.gz BJGAQMNNJMNKJO-FHLIZLRMSA-N -1 3 371.485 3.372 20 0 FGADHM CCC[C@@H]1C[C@@H](C(=O)N(CC)[C@H](C)c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000825251248 609523496 /nfs/dbraw/zinc/52/34/96/609523496.db2.gz BJGAQMNNJMNKJO-FHLIZLRMSA-N -1 3 371.485 3.372 20 0 FGADHM CC[C@H]1C[C@H](C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)CC(C)C)CCO1 ZINC000825182439 609523616 /nfs/dbraw/zinc/52/36/16/609523616.db2.gz JGMUNXINZSSZRS-MSOLQXFVSA-N -1 3 371.485 3.057 20 0 FGADHM CC[C@H]1C[C@H](C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)CC(C)C)CCO1 ZINC000825182439 609523618 /nfs/dbraw/zinc/52/36/18/609523618.db2.gz JGMUNXINZSSZRS-MSOLQXFVSA-N -1 3 371.485 3.057 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(F)(F)c1ccc(C)cc1 ZINC000825621153 609534180 /nfs/dbraw/zinc/53/41/80/609534180.db2.gz NRLLDAYPTHZNDV-UHFFFAOYSA-N -1 3 373.363 3.304 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(F)(F)c1ccc(C)cc1 ZINC000825621153 609534182 /nfs/dbraw/zinc/53/41/82/609534182.db2.gz NRLLDAYPTHZNDV-UHFFFAOYSA-N -1 3 373.363 3.304 20 0 FGADHM Cc1c(Cl)cnc(NCc2cc(-c3ccccc3)no2)c1-c1nnn[n-]1 ZINC000826240321 609535121 /nfs/dbraw/zinc/53/51/21/609535121.db2.gz MYGYIYSYLJFLQP-UHFFFAOYSA-N -1 3 367.800 3.491 20 0 FGADHM Cc1c(Cl)cnc(NCc2cc(-c3ccccc3)no2)c1-c1nn[n-]n1 ZINC000826240321 609535123 /nfs/dbraw/zinc/53/51/23/609535123.db2.gz MYGYIYSYLJFLQP-UHFFFAOYSA-N -1 3 367.800 3.491 20 0 FGADHM Cc1ccnc(N(C)CCCc2cc(-c3ccccc3)n[nH]2)c1-c1nnn[n-]1 ZINC000826309316 609537408 /nfs/dbraw/zinc/53/74/08/609537408.db2.gz LCIFPJBSIJUVCO-UHFFFAOYSA-N -1 3 374.452 3.029 20 0 FGADHM Cc1ccnc(N(C)CCCc2cc(-c3ccccc3)n[nH]2)c1-c1nn[n-]n1 ZINC000826309316 609537410 /nfs/dbraw/zinc/53/74/10/609537410.db2.gz LCIFPJBSIJUVCO-UHFFFAOYSA-N -1 3 374.452 3.029 20 0 FGADHM CCCO[C@H]1CCCN(c2ncc(Cl)c(C)c2-c2nnn[n-]2)CC1 ZINC000825339110 609549501 /nfs/dbraw/zinc/54/95/01/609549501.db2.gz NKRCQQFSBKBGAW-LBPRGKRZSA-N -1 3 350.854 3.009 20 0 FGADHM CCCO[C@H]1CCCN(c2ncc(Cl)c(C)c2-c2nn[n-]n2)CC1 ZINC000825339110 609549502 /nfs/dbraw/zinc/54/95/02/609549502.db2.gz NKRCQQFSBKBGAW-LBPRGKRZSA-N -1 3 350.854 3.009 20 0 FGADHM CCS[C@@H]1CCCCN(c2ncc(Cl)c(C)c2-c2nnn[n-]2)C1 ZINC000825668656 609550161 /nfs/dbraw/zinc/55/01/61/609550161.db2.gz IDRAGWQIAGDKRO-LLVKDONJSA-N -1 3 352.895 3.336 20 0 FGADHM CCS[C@@H]1CCCCN(c2ncc(Cl)c(C)c2-c2nn[n-]n2)C1 ZINC000825668656 609550162 /nfs/dbraw/zinc/55/01/62/609550162.db2.gz IDRAGWQIAGDKRO-LLVKDONJSA-N -1 3 352.895 3.336 20 0 FGADHM CCS[C@H]1CCCCN(c2ncc(Cl)c(C)c2-c2nnn[n-]2)C1 ZINC000825668657 609550623 /nfs/dbraw/zinc/55/06/23/609550623.db2.gz IDRAGWQIAGDKRO-NSHDSACASA-N -1 3 352.895 3.336 20 0 FGADHM CCS[C@H]1CCCCN(c2ncc(Cl)c(C)c2-c2nn[n-]n2)C1 ZINC000825668657 609550626 /nfs/dbraw/zinc/55/06/26/609550626.db2.gz IDRAGWQIAGDKRO-NSHDSACASA-N -1 3 352.895 3.336 20 0 FGADHM Cc1nc2c(s1)[C@@H](Nc1nc3c(cc1-c1nnn[n-]1)CCCC3)CCC2 ZINC000826328413 609566417 /nfs/dbraw/zinc/56/64/17/609566417.db2.gz QIUMZRPCTLLMJM-HNNXBMFYSA-N -1 3 367.482 3.395 20 0 FGADHM Cc1nc2c(s1)[C@@H](Nc1nc3c(cc1-c1nn[n-]n1)CCCC3)CCC2 ZINC000826328413 609566418 /nfs/dbraw/zinc/56/64/18/609566418.db2.gz QIUMZRPCTLLMJM-HNNXBMFYSA-N -1 3 367.482 3.395 20 0 FGADHM CCOC(=O)Nc1ccc(NC(=O)[C@@H](C)[C@@H](C)CC)cc1-c1nnn[n-]1 ZINC000825523752 609579156 /nfs/dbraw/zinc/57/91/56/609579156.db2.gz UAHDENIDCRWJAO-QWRGUYRKSA-N -1 3 360.418 3.056 20 0 FGADHM CCOC(=O)Nc1ccc(NC(=O)[C@@H](C)[C@@H](C)CC)cc1-c1nn[n-]n1 ZINC000825523752 609579158 /nfs/dbraw/zinc/57/91/58/609579158.db2.gz UAHDENIDCRWJAO-QWRGUYRKSA-N -1 3 360.418 3.056 20 0 FGADHM CC[C@H](C)[C@@H](C)C(=O)Nc1c(C)c(C)nn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000825051480 609586565 /nfs/dbraw/zinc/58/65/65/609586565.db2.gz QCFCUAXMLKYZEF-NWDGAFQWSA-N -1 3 367.457 3.290 20 0 FGADHM Brc1cc(-c2nn[n-]n2)ccc1NC[C@@H]1CCCCS1 ZINC000823826491 609587395 /nfs/dbraw/zinc/58/73/95/609587395.db2.gz KAYMMJPZMYFPMU-JTQLQIEISA-N -1 3 354.277 3.327 20 0 FGADHM CCN(C(=O)C(F)(F)c1ccc(C)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825366666 609588834 /nfs/dbraw/zinc/58/88/34/609588834.db2.gz DGBYBNDQIWSEOH-UHFFFAOYSA-N -1 3 357.364 3.320 20 0 FGADHM CCN(C(=O)C(F)(F)c1ccc(C)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825366666 609588837 /nfs/dbraw/zinc/58/88/37/609588837.db2.gz DGBYBNDQIWSEOH-UHFFFAOYSA-N -1 3 357.364 3.320 20 0 FGADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)N1CCC[C@@H]1/C=C/c1ccccc1 ZINC000826442265 609593912 /nfs/dbraw/zinc/59/39/12/609593912.db2.gz OXMBQVCNUKRBTP-TZZQJPOUSA-N -1 3 374.448 3.254 20 0 FGADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)N1CCC[C@@H]1/C=C/c1ccccc1 ZINC000826442265 609593915 /nfs/dbraw/zinc/59/39/15/609593915.db2.gz OXMBQVCNUKRBTP-TZZQJPOUSA-N -1 3 374.448 3.254 20 0 FGADHM C[C@H]1C[C@H](CCNc2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)CCO1 ZINC000824886405 609596347 /nfs/dbraw/zinc/59/63/47/609596347.db2.gz YHSOQBKJSVMTKZ-WDEREUQCSA-N -1 3 374.395 3.310 20 0 FGADHM C[C@H]1C[C@H](CCNc2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)CCO1 ZINC000824886405 609596350 /nfs/dbraw/zinc/59/63/50/609596350.db2.gz YHSOQBKJSVMTKZ-WDEREUQCSA-N -1 3 374.395 3.310 20 0 FGADHM CS[C@@H](CNC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1)C(C)(C)C ZINC000826225463 609602760 /nfs/dbraw/zinc/60/27/60/609602760.db2.gz CURRDBRTBLINHA-RISCZKNCSA-N -1 3 362.503 3.005 20 0 FGADHM CS[C@@H](CNC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1)C(C)(C)C ZINC000826225463 609602762 /nfs/dbraw/zinc/60/27/62/609602762.db2.gz CURRDBRTBLINHA-RISCZKNCSA-N -1 3 362.503 3.005 20 0 FGADHM Cc1ccc(C(F)(F)C(=O)OCc2cc(F)ccc2-c2nnn[n-]2)cc1 ZINC000826284630 609625780 /nfs/dbraw/zinc/62/57/80/609625780.db2.gz ZOVLTAGXSODCPY-UHFFFAOYSA-N -1 3 362.311 3.149 20 0 FGADHM Cc1ccc(C(F)(F)C(=O)OCc2cc(F)ccc2-c2nn[n-]n2)cc1 ZINC000826284630 609625782 /nfs/dbraw/zinc/62/57/82/609625782.db2.gz ZOVLTAGXSODCPY-UHFFFAOYSA-N -1 3 362.311 3.149 20 0 FGADHM CCOC(=O)c1cnc(NCc2ccc([O-])c(Br)c2)nc1C ZINC000537566025 673394362 /nfs/dbraw/zinc/39/43/62/673394362.db2.gz ABSOMBAGPIADNB-UHFFFAOYSA-N -1 3 366.215 3.042 20 0 FGADHM CCCn1c(S[C@H](C)c2nc3sc(C)c(C)c3c(N)n2)n[n-]c1=O ZINC000010550783 695591368 /nfs/dbraw/zinc/59/13/68/695591368.db2.gz BWEXANIXQIHIRW-SECBINFHSA-N -1 3 364.500 3.451 20 0 FGADHM C[C@@H](OC(=O)c1cc(Cl)c(Cl)[n-]1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000011809559 695602851 /nfs/dbraw/zinc/60/28/51/695602851.db2.gz YIFZIJBFDJUOGH-SSDOTTSWSA-N -1 3 371.176 3.234 20 0 FGADHM O=C([N-]NC(=S)Nc1ccc(OC(F)F)cc1)c1ccccc1F ZINC000016184970 695625869 /nfs/dbraw/zinc/62/58/69/695625869.db2.gz NHAOOGRWEGBZEJ-UHFFFAOYSA-N -1 3 355.341 3.059 20 0 FGADHM O=C(/C=C/c1ccccc1Cl)N[N-]C(=O)c1ccc2ccccc2n1 ZINC000027683364 695695995 /nfs/dbraw/zinc/69/59/95/695695995.db2.gz ZBGZFOUBBZIMGZ-ZRDIBKRKSA-N -1 3 351.793 3.363 20 0 FGADHM CS(=O)(=O)[N-]c1ccc(C(=O)OCc2ccccc2C(F)(F)F)cc1 ZINC000029008348 695707993 /nfs/dbraw/zinc/70/79/93/695707993.db2.gz JSIBMVLAEXLKCW-UHFFFAOYSA-N -1 3 373.352 3.434 20 0 FGADHM CCC[C@@H](C)N(C)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000041988207 695770859 /nfs/dbraw/zinc/77/08/59/695770859.db2.gz VMQLSPOFNUSVAS-GFCCVEGCSA-N -1 3 358.479 3.163 20 0 FGADHM O=S(=O)([N-]C[C@H]1Cc2ccccc21)c1ccc(Br)s1 ZINC000048445661 695878003 /nfs/dbraw/zinc/87/80/03/695878003.db2.gz JHBDISXXCVIMQU-SNVBAGLBSA-N -1 3 358.282 3.129 20 0 FGADHM Cc1ccc([C@@H](C)NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])s1 ZINC000054260767 695938609 /nfs/dbraw/zinc/93/86/09/695938609.db2.gz BQYZXMWPTKKVRR-UKRRQHHQSA-N -1 3 358.463 3.244 20 0 FGADHM CCc1nc2c(s1)[C@@H](N(C)C(=O)c1cc3c(cc1[O-])OCO3)CCC2 ZINC000092605647 700438814 /nfs/dbraw/zinc/43/88/14/700438814.db2.gz LGGVSKJAEVEIGV-LBPRGKRZSA-N -1 3 360.435 3.289 20 0 FGADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccnc2Cl)cc1Cl ZINC000107345077 700515862 /nfs/dbraw/zinc/51/58/62/700515862.db2.gz PEUZXGVIHDGYBO-UHFFFAOYSA-N -1 3 360.222 3.148 20 0 FGADHM CCN(CC(=O)[N-]C(=O)c1ccc(OC)cc1)Cc1ccc(Cl)s1 ZINC000120038154 700646433 /nfs/dbraw/zinc/64/64/33/700646433.db2.gz SIWUMPYXYQIFSC-UHFFFAOYSA-N -1 3 366.870 3.189 20 0 FGADHM Cc1cc(F)c(S(=O)(=O)[N-]C2(c3nccs3)CCCC2)cc1F ZINC000122255877 700686897 /nfs/dbraw/zinc/68/68/97/700686897.db2.gz NGZGJAJHIRADJC-UHFFFAOYSA-N -1 3 358.435 3.478 20 0 FGADHM Cc1cccc([C@@H](C)OC(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)c1 ZINC000128171939 700771663 /nfs/dbraw/zinc/77/16/63/700771663.db2.gz WPARMUBIZFTEBP-GFCCVEGCSA-N -1 3 351.399 3.424 20 0 FGADHM CCS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc([O-])c2F)c1 ZINC000128841250 700780377 /nfs/dbraw/zinc/78/03/77/700780377.db2.gz RGASNEAWCQFMIS-UHFFFAOYSA-N -1 3 357.790 3.231 20 0 FGADHM CO[C@H](CNC(=O)c1c[n-]c2ccccc2c1=O)c1ccccc1Cl ZINC000133270269 700836739 /nfs/dbraw/zinc/83/67/39/700836739.db2.gz LFSHKRDFRGOTKR-QGZVFWFLSA-N -1 3 356.809 3.299 20 0 FGADHM O=S(=O)([N-]c1c(F)cccc1CO)c1ccc(OC2CCCC2)cc1 ZINC000134665282 704829620 /nfs/dbraw/zinc/82/96/20/704829620.db2.gz GKDZEXJUQMCLDP-UHFFFAOYSA-N -1 3 365.426 3.440 20 0 FGADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)C1(c2cccc(Cl)c2)CC1 ZINC000135568836 704849344 /nfs/dbraw/zinc/84/93/44/704849344.db2.gz 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355.353 3.080 20 0 FGADHM C[C@H]1CC[C@H](CSc2nc3c(cnn3Cc3ccccc3)c(=O)[n-]2)O1 ZINC000657285054 719616951 /nfs/dbraw/zinc/61/69/51/719616951.db2.gz VRZIVKKIISIDIK-GXTWGEPZSA-N -1 3 356.451 3.240 20 0 FGADHM CC(C)[C@H](O)[C@H]([N-]S(=O)(=O)c1sccc1Cl)c1ccccc1 ZINC000660025542 719975022 /nfs/dbraw/zinc/97/50/22/719975022.db2.gz BCLHWEPAQUOIAO-KGLIPLIRSA-N -1 3 359.900 3.438 20 0 FGADHM CC(C)[C@@H](O)[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1F)c1ccccc1 ZINC000660031066 719976720 /nfs/dbraw/zinc/97/67/20/719976720.db2.gz VOLOHVMAAFAOLM-DLBZAZTESA-N -1 3 355.406 3.001 20 0 FGADHM Cc1cc(=O)[n-]c(C(C)(C)NCc2ncc(Br)cc2Cl)n1 ZINC000660749163 720112150 /nfs/dbraw/zinc/11/21/50/720112150.db2.gz GTKSRMYFOBNIOW-UHFFFAOYSA-N -1 3 371.666 3.326 20 0 FGADHM C[C@]12COC[C@@H]1CN(Cc1nc(=O)c3c(-c4ccco4)csc3[n-]1)C2 ZINC000661704624 720306206 /nfs/dbraw/zinc/30/62/06/720306206.db2.gz JQIQMOMOFRJZFO-VOJFVSQTSA-N -1 3 357.435 3.125 20 0 FGADHM COC[C@@](C)(NCc1nc2c3ccccc3oc2c(=O)[n-]1)C(F)(F)F ZINC000662183673 720389515 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CCC(CC)c1cc(C[N-]S(=O)(=O)c2cn3c(n2)CCC[C@@H]3C)on1 ZINC000668139372 721245476 /nfs/dbraw/zinc/24/54/76/721245476.db2.gz OITQGRGRRYHDFC-LBPRGKRZSA-N -1 3 366.487 3.151 20 0 FGADHM CC(C)c1ccc([C@H](C)OC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C)cc1 ZINC000783452919 724755495 /nfs/dbraw/zinc/75/54/95/724755495.db2.gz HKXOKQKWTXOVNC-BBRMVZONSA-N -1 3 355.500 3.378 20 0 FGADHM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)c2ccc(C(F)F)cc2)o1 ZINC000672386466 721632142 /nfs/dbraw/zinc/63/21/42/721632142.db2.gz CXXJEJDFQHFBPX-CQSZACIVSA-N -1 3 359.394 3.446 20 0 FGADHM O=C(NCCCc1cc(=O)[nH][n-]1)C1(c2cccc(Cl)c2)CCCCC1 ZINC000673545993 721665130 /nfs/dbraw/zinc/66/51/30/721665130.db2.gz MSCVTXDOJGQVBV-UHFFFAOYSA-N -1 3 361.873 3.314 20 0 FGADHM O=S(=O)([N-]C1(C(F)F)CCCC1)c1ccccc1Br ZINC000673586907 721667242 /nfs/dbraw/zinc/66/72/42/721667242.db2.gz ZDBOOZDUKISPIO-UHFFFAOYSA-N -1 3 354.216 3.305 20 0 FGADHM Cn1ncc(C(=O)Nc2cc(Br)ccc2[O-])c1C(F)(F)F ZINC000674745039 721709062 /nfs/dbraw/zinc/70/90/62/721709062.db2.gz 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ZINC000680321061 722105354 /nfs/dbraw/zinc/10/53/54/722105354.db2.gz HIYVXTYYRIZXAI-UHFFFAOYSA-N -1 3 374.194 3.364 20 0 FGADHM CCOC(=O)c1ccc(C(=O)COC(=O)c2cccc(Cl)c2[O-])cc1 ZINC000784241617 724835365 /nfs/dbraw/zinc/83/53/65/724835365.db2.gz MKAGSHMXSIHPFS-UHFFFAOYSA-N -1 3 362.765 3.262 20 0 FGADHM O=S(=O)([N-]CCCCc1ccccc1)c1cnccc1C(F)(F)F ZINC000682368243 722243524 /nfs/dbraw/zinc/24/35/24/722243524.db2.gz LLOFSDBPQIYNES-UHFFFAOYSA-N -1 3 358.385 3.402 20 0 FGADHM CO[C@@]1(C(F)(F)F)CCCN(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000682533871 722254230 /nfs/dbraw/zinc/25/42/30/722254230.db2.gz IJOVWCYFKXOFJO-INIZCTEOSA-N -1 3 363.351 3.424 20 0 FGADHM CC[C@]1([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CCOC1 ZINC000682939037 722274258 /nfs/dbraw/zinc/27/42/58/722274258.db2.gz YHFKCRIYEQCJDZ-LBPRGKRZSA-N -1 3 357.781 3.206 20 0 FGADHM O=C([O-])[C@H](CNCc1nc2c(s1)CCC2)Cc1ccc(Cl)cc1 ZINC000683176098 722284262 /nfs/dbraw/zinc/28/42/62/722284262.db2.gz GKEBAHFGDRWIAO-LBPRGKRZSA-N -1 3 350.871 3.318 20 0 FGADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCc3cc(O)ccc3C2)sc1Cl ZINC000683465212 722297359 /nfs/dbraw/zinc/29/73/59/722297359.db2.gz BIDMUADEQWIPNH-GFCCVEGCSA-N -1 3 357.884 3.251 20 0 FGADHM CC(C)C1CN(C(=O)c2c[n-]c3c(OC(F)(F)F)cccc3c2=O)C1 ZINC000683494673 722298169 /nfs/dbraw/zinc/29/81/69/722298169.db2.gz QJBVXKGUPZVNRJ-UHFFFAOYSA-N -1 3 354.328 3.155 20 0 FGADHM O=S(=O)([N-]C[C@@H]1Cc2ccccc21)c1cccc(Br)c1F ZINC000684903400 722366927 /nfs/dbraw/zinc/36/69/27/722366927.db2.gz GDQZIYBINRPPKV-NSHDSACASA-N -1 3 370.243 3.206 20 0 FGADHM O=C(NCc1cc(Cl)c2c(c1)OCCO2)c1cc([O-])ccc1Cl ZINC000685606531 722393877 /nfs/dbraw/zinc/39/38/77/722393877.db2.gz BTBILBRVEVXCAY-UHFFFAOYSA-N -1 3 354.189 3.400 20 0 FGADHM O=S(=O)(CCOCC(F)(F)F)[N-]c1ccc(Cl)c(Cl)c1 ZINC000685899059 722407161 /nfs/dbraw/zinc/40/71/61/722407161.db2.gz IBZBOCORUWHNLH-UHFFFAOYSA-N -1 3 352.161 3.314 20 0 FGADHM Cc1cccc(OCC[N-]S(=O)(=O)c2ccc(Cl)nc2Cl)c1 ZINC000725818155 722423423 /nfs/dbraw/zinc/42/34/23/722423423.db2.gz WQUDQKINVLYMLO-UHFFFAOYSA-N -1 3 361.250 3.054 20 0 FGADHM O=S(=O)([N-][C@@H]1C[C@@H]1c1cccc(F)c1)c1ccc(Cl)nc1Cl ZINC000725828103 722424183 /nfs/dbraw/zinc/42/41/83/722424183.db2.gz VWZCACUZZVUPPN-GHMZBOCLSA-N -1 3 361.225 3.362 20 0 FGADHM COC(=O)[C@@H](Cc1ccccc1)[N-]C(=O)C(F)(F)c1cccc(Cl)c1 ZINC000728216413 722450608 /nfs/dbraw/zinc/45/06/08/722450608.db2.gz SSXXNZZKZPKXCN-OAHLLOKOSA-N -1 3 367.779 3.332 20 0 FGADHM COc1ccc([C@@H](C)OC(=O)Cc2c(C)nc(C)[n-]c2=O)cc1Cl ZINC000728777926 722454414 /nfs/dbraw/zinc/45/44/14/722454414.db2.gz UWHYJJZCGOWCAG-SNVBAGLBSA-N -1 3 350.802 3.308 20 0 FGADHM O=S(=O)([N-]c1c(F)cccc1-n1cccn1)c1cccc(Cl)c1 ZINC000730204074 722466064 /nfs/dbraw/zinc/46/60/64/722466064.db2.gz INESGHFHRWWVBL-UHFFFAOYSA-N -1 3 351.790 3.466 20 0 FGADHM CCOc1ccc(S(=O)(=O)[N-]c2c(F)cccc2-n2cccn2)cc1 ZINC000730204393 722466146 /nfs/dbraw/zinc/46/61/46/722466146.db2.gz SUWNPUSRERMVLR-UHFFFAOYSA-N -1 3 361.398 3.211 20 0 FGADHM C[C@@H]1CCC[C@H](C)N1C(=O)COC(=O)c1cccc(Br)c1[O-] ZINC000730364859 722467802 /nfs/dbraw/zinc/46/78/02/722467802.db2.gz JRRZTMTYROUADW-PHIMTYICSA-N -1 3 370.243 3.101 20 0 FGADHM CCCCCCNC(=O)COC(=O)c1cccc(Br)c1[O-] ZINC000730365548 722467900 /nfs/dbraw/zinc/46/79/00/722467900.db2.gz UMNVMDHXHFVASG-UHFFFAOYSA-N -1 3 358.232 3.008 20 0 FGADHM O=C(COC(=O)c1cccc(Br)c1[O-])NCC1CCCCC1 ZINC000730365726 722467932 /nfs/dbraw/zinc/46/79/32/722467932.db2.gz PJCRHRBYWDMIJC-UHFFFAOYSA-N -1 3 370.243 3.008 20 0 FGADHM O=C(CCOc1ccccc1)[N-]OCc1cc(Cl)c2c(c1)OCCO2 ZINC000732194295 722482267 /nfs/dbraw/zinc/48/22/67/722482267.db2.gz KILRMQFNKIDVKU-UHFFFAOYSA-N -1 3 363.797 3.128 20 0 FGADHM CN(CCOc1ccccc1Cl)C(=O)c1nnc2ccccc2c1[O-] ZINC000732258681 722483216 /nfs/dbraw/zinc/48/32/16/722483216.db2.gz FQWVKGOCEGONPC-UHFFFAOYSA-N -1 3 357.797 3.140 20 0 FGADHM O=C(C[N-]C(=O)C(F)(F)c1ccccc1)OCc1ccccc1Cl ZINC000733282237 722494910 /nfs/dbraw/zinc/49/49/10/722494910.db2.gz DIIHVACEBDSHDA-UHFFFAOYSA-N -1 3 353.752 3.291 20 0 FGADHM CC(C)C[C@H]([N-]S(=O)(=O)C1=Cc2ccccc2CC1)C(=O)OC(C)C ZINC000734003343 722503252 /nfs/dbraw/zinc/50/32/52/722503252.db2.gz LAMYBTDHFUOEPW-SFHVURJKSA-N -1 3 365.495 3.259 20 0 FGADHM C[C@@H](CNC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)C(C)(C)C ZINC000734339671 722506323 /nfs/dbraw/zinc/50/63/23/722506323.db2.gz MCCHIVQCORTIKS-LBPRGKRZSA-N -1 3 372.506 3.315 20 0 FGADHM C[C@H]1CCCN(C(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)[C@H]1C ZINC000736265413 722522502 /nfs/dbraw/zinc/52/25/02/722522502.db2.gz JKIPTXKSLFLNPM-UWVGGRQHSA-N -1 3 350.879 3.337 20 0 FGADHM C[C@H]1CCCN(C(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)[C@H]1C ZINC000736265413 722522503 /nfs/dbraw/zinc/52/25/03/722522503.db2.gz JKIPTXKSLFLNPM-UWVGGRQHSA-N -1 3 350.879 3.337 20 0 FGADHM Cc1ccc(Cl)cc1NC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000737343681 722526288 /nfs/dbraw/zinc/52/62/88/722526288.db2.gz SJYKMNBPTLFCTG-LLVKDONJSA-N -1 3 357.801 3.235 20 0 FGADHM Cc1ccc(Cl)cc1NC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000737343681 722526289 /nfs/dbraw/zinc/52/62/89/722526289.db2.gz SJYKMNBPTLFCTG-LLVKDONJSA-N -1 3 357.801 3.235 20 0 FGADHM Cc1ccc(OCCCC[N-]S(=O)(=O)c2cccnc2Cl)cc1 ZINC000738353618 722529873 /nfs/dbraw/zinc/52/98/73/722529873.db2.gz LTRKSGPZCQAHLE-UHFFFAOYSA-N -1 3 354.859 3.181 20 0 FGADHM O=S(=O)([N-][C@H]1C[C@H]1c1cccc(F)c1)c1cnc(Cl)c(Cl)c1 ZINC000738365490 722529987 /nfs/dbraw/zinc/52/99/87/722529987.db2.gz JQZFXGSQCFNSKB-AAEUAGOBSA-N -1 3 361.225 3.362 20 0 FGADHM O=S(=O)([N-][C@@H]1C[C@@H]1c1cccc(F)c1)c1cnc(Cl)c(Cl)c1 ZINC000738365491 722530015 /nfs/dbraw/zinc/53/00/15/722530015.db2.gz JQZFXGSQCFNSKB-DGCLKSJQSA-N -1 3 361.225 3.362 20 0 FGADHM O=S(=O)([N-]c1ccc2nccn2c1)c1ccc(OC2CCCC2)cc1 ZINC000739385357 722532871 /nfs/dbraw/zinc/53/28/71/722532871.db2.gz UZXUVWWRPMPDDO-UHFFFAOYSA-N -1 3 357.435 3.457 20 0 FGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2C3CCCC2CCC3)ccc1F ZINC000741994781 722551179 /nfs/dbraw/zinc/55/11/79/722551179.db2.gz VYMREDXFKYGBMK-UHFFFAOYSA-N -1 3 368.474 3.060 20 0 FGADHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)C12CCC2 ZINC000742306453 722554871 /nfs/dbraw/zinc/55/48/71/722554871.db2.gz FCNDMYHRRLZYGN-NWDGAFQWSA-N -1 3 365.282 3.014 20 0 FGADHM COc1ccc([N-]S(=O)(=O)/C=C/c2ccc(Br)cc2)nc1 ZINC000743050432 722563504 /nfs/dbraw/zinc/56/35/04/722563504.db2.gz RZURWOZUSKVECK-CMDGGOBGSA-N -1 3 369.240 3.265 20 0 FGADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)OCCCC1CCCC1 ZINC000744911008 722581475 /nfs/dbraw/zinc/58/14/75/722581475.db2.gz RNOFJCTWJCCVCC-UHFFFAOYSA-N -1 3 365.904 3.193 20 0 FGADHM CCN1CCc2nc([N-]C(=O)c3c(C)noc3C(F)(F)F)sc2C1 ZINC000746015266 722592428 /nfs/dbraw/zinc/59/24/28/722592428.db2.gz RFCINCNXISKZLT-UHFFFAOYSA-N -1 3 360.361 3.089 20 0 FGADHM CC[C@](C)(CNC(=O)OC(C)(C)C)C(=O)NCc1ccc([O-])c(F)c1 ZINC000747976790 722670159 /nfs/dbraw/zinc/67/01/59/722670159.db2.gz VWTLYPLFQGCZNP-GOSISDBHSA-N -1 3 354.422 3.089 20 0 FGADHM CCOC(=O)c1sc(C[N-]C(=O)C(F)(F)c2ccc(F)cc2)nc1C ZINC000750116544 722754809 /nfs/dbraw/zinc/75/48/09/722754809.db2.gz CUBSGRDXAASPHM-UHFFFAOYSA-N -1 3 372.368 3.176 20 0 FGADHM CCc1ccc(C(C)(C)C(=O)OCC(=O)[N-]C(=O)c2cccs2)cc1 ZINC000750561884 722773134 /nfs/dbraw/zinc/77/31/34/722773134.db2.gz KLPYTYNUIQNOGS-UHFFFAOYSA-N -1 3 359.447 3.088 20 0 FGADHM CCc1ccc(C(C)(C)C[N-]S(=O)(=O)c2c(C)nn(C)c2Cl)cc1 ZINC000751123977 722795494 /nfs/dbraw/zinc/79/54/94/722795494.db2.gz HBPLZNKDZWJRHS-UHFFFAOYSA-N -1 3 369.918 3.200 20 0 FGADHM C[C@@H](Cc1cccc(O)c1)[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000751250038 722799619 /nfs/dbraw/zinc/79/96/19/722799619.db2.gz VXGGCEGVKPLANP-VIFPVBQESA-N -1 3 361.250 3.004 20 0 FGADHM Cc1sc2[n-]c([C@@H](C)OC(=O)CCOCC3CC3)nc(=O)c2c1C ZINC000751718567 722822901 /nfs/dbraw/zinc/82/29/01/722822901.db2.gz BMSKLPDORLPMMV-SNVBAGLBSA-N -1 3 350.440 3.435 20 0 FGADHM CCN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C)c1)c1cccc(Cl)c1 ZINC000752405213 722856734 /nfs/dbraw/zinc/85/67/34/722856734.db2.gz UYQLLTWFANLOAS-UHFFFAOYSA-N -1 3 370.833 3.054 20 0 FGADHM Nc1c(Cl)cc(NC(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1Cl ZINC000753064371 722883859 /nfs/dbraw/zinc/88/38/59/722883859.db2.gz UVFWCTXGLBOOGL-UHFFFAOYSA-N -1 3 369.134 3.034 20 0 FGADHM COc1cc(C(=O)OCC(=O)c2cc(C)sc2C)cc(OC)c1[O-] ZINC000754267132 722933160 /nfs/dbraw/zinc/93/31/60/722933160.db2.gz KERFRQSRUNSJQY-UHFFFAOYSA-N -1 3 350.392 3.127 20 0 FGADHM CC(C)(C)OC(=O)N1CC[C@](F)(C(=O)Nc2ccc(Cl)cc2[O-])C1 ZINC000754488473 722940094 /nfs/dbraw/zinc/94/00/94/722940094.db2.gz PYRRACNNNXMXEH-MRXNPFEDSA-N -1 3 358.797 3.333 20 0 FGADHM CCCCC[C@H]([N-]S(=O)(=O)Cc1ccc(F)c(Cl)c1)C(=O)OC ZINC000755954094 722958991 /nfs/dbraw/zinc/95/89/91/722958991.db2.gz BKDBSSLFXUJBML-AWEZNQCLSA-N -1 3 365.854 3.020 20 0 FGADHM COc1ccccc1N1CC[C@@H](OC(=O)c2cc3ccsc3[n-]2)C1=O ZINC000757029112 722973413 /nfs/dbraw/zinc/97/34/13/722973413.db2.gz BQGANWLFJQRILT-OAHLLOKOSA-N -1 3 356.403 3.200 20 0 FGADHM O=C([N-]N1Cc2ccccc2C1=O)c1cc(F)c(C(F)(F)F)c(F)c1 ZINC000760492295 723059439 /nfs/dbraw/zinc/05/94/39/723059439.db2.gz OCASFRLQQGNBRR-UHFFFAOYSA-N -1 3 356.250 3.284 20 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Cc1cc(-c2nnn[n-]2)ccc1C(=O)NC1(c2cccc(Cl)c2)CC1 ZINC000826246582 729406528 /nfs/dbraw/zinc/40/65/28/729406528.db2.gz HFWRNKWWMKRUAB-UHFFFAOYSA-N -1 3 353.813 3.248 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NC1(c2cccc(Cl)c2)CC1 ZINC000826246582 729406529 /nfs/dbraw/zinc/40/65/29/729406529.db2.gz HFWRNKWWMKRUAB-UHFFFAOYSA-N -1 3 353.813 3.248 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)c(NCc2cc(Br)cs2)n1 ZINC000826276624 729406809 /nfs/dbraw/zinc/40/68/09/729406809.db2.gz ONTPQGKOCLHWRC-UHFFFAOYSA-N -1 3 351.233 3.006 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)c(NCc2cc(Br)cs2)n1 ZINC000826276624 729406810 /nfs/dbraw/zinc/40/68/10/729406810.db2.gz ONTPQGKOCLHWRC-UHFFFAOYSA-N -1 3 351.233 3.006 20 0 FGADHM Cc1ccnc(N[C@H](C)Cc2nc3ccccc3s2)c1-c1nnn[n-]1 ZINC000826311438 729407243 /nfs/dbraw/zinc/40/72/43/729407243.db2.gz FBEZPDHDCWBCMH-LLVKDONJSA-N -1 3 351.439 3.223 20 0 FGADHM Cc1ccnc(N[C@H](C)Cc2nc3ccccc3s2)c1-c1nn[n-]n1 ZINC000826311438 729407244 /nfs/dbraw/zinc/40/72/44/729407244.db2.gz FBEZPDHDCWBCMH-LLVKDONJSA-N 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CC(C)(CO)O[N-]C(=O)Nc1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC000836490882 729957634 /nfs/dbraw/zinc/95/76/34/729957634.db2.gz OFUPPBQMSJRTJI-UHFFFAOYSA-N -1 3 359.213 3.003 20 0 FGADHM CC(C)=CCC[C@@H](C)NC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000836564622 729960574 /nfs/dbraw/zinc/96/05/74/729960574.db2.gz NTLNBCWADVXFGB-CYBMUJFWSA-N -1 3 363.424 3.221 20 0 FGADHM CC(C)(CO)O[N-]C(=O)CCCSc1ccc(Br)cc1 ZINC000836804188 729970677 /nfs/dbraw/zinc/97/06/77/729970677.db2.gz WBJXZMAPAMEWRA-UHFFFAOYSA-N -1 3 362.289 3.140 20 0 FGADHM CC(C)[C@H](CO)O[N-]C(=O)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1 ZINC000836899947 729973438 /nfs/dbraw/zinc/97/34/38/729973438.db2.gz ATLTUVLKYZXCEZ-DZKIICNBSA-N -1 3 360.479 3.411 20 0 FGADHM O=C(c1cc([O-])ccc1Cl)N1CCC[C@@H]2CC3(CC[C@@H]21)OCCO3 ZINC000836963964 729983020 /nfs/dbraw/zinc/98/30/20/729983020.db2.gz QVWRVTLNYXVIRP-WBMJQRKESA-N -1 3 351.830 3.193 20 0 FGADHM O=C(OCc1cc(=O)[n-]c(C2CC2)n1)c1cc(Br)ccc1F ZINC000837381949 730023786 /nfs/dbraw/zinc/02/37/86/730023786.db2.gz 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FGADHM CC(C)[C@H]([N-]S(=O)(=O)C[C@H](C)CC(F)(F)F)c1nc(C2CC2)no1 ZINC000849373925 731253450 /nfs/dbraw/zinc/25/34/50/731253450.db2.gz VSEVRBZFADVNTO-KOLCDFICSA-N -1 3 369.409 3.152 20 0 FGADHM O=S(=O)([N-][C@@H]1COC2(CCC2)C1)c1cc(Cl)ccc1C(F)(F)F ZINC000849448972 731260532 /nfs/dbraw/zinc/26/05/32/731260532.db2.gz RKADCHFUQAEKGU-JTQLQIEISA-N -1 3 369.792 3.349 20 0 FGADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3c(Cl)cnn3C)nc(=O)c2c1C ZINC000850318053 731342711 /nfs/dbraw/zinc/34/27/11/731342711.db2.gz OLFXQGFXWMDWDN-ZETCQYMHSA-N -1 3 366.830 3.319 20 0 FGADHM Cc1cccc2c1CCC[C@@H]2NC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000854004918 731784125 /nfs/dbraw/zinc/78/41/25/731784125.db2.gz LGLSUGWFYMEFCU-LBPRGKRZSA-N -1 3 353.348 3.009 20 0 FGADHM CC[C@@H](C)NC(=O)c1ccc(NC(=O)c2[n-]cnc2C(F)(F)F)cc1 ZINC000855009226 731886127 /nfs/dbraw/zinc/88/61/27/731886127.db2.gz MWHYRMAIIOQAHM-SECBINFHSA-N -1 3 354.332 3.209 20 0 FGADHM CC[C@@H](C)NC(=O)c1ccc(NC(=O)c2nc[n-]c2C(F)(F)F)cc1 ZINC000855009226 731886135 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494678021 /nfs/dbraw/zinc/67/80/21/494678021.db2.gz JIPREPDNWJUILP-UHFFFAOYSA-N -1 3 368.397 3.100 20 0 FGADHM COc1ccccc1CN(CCO)Cc1cc([O-])ccc1Br ZINC000091790640 494681004 /nfs/dbraw/zinc/68/10/04/494681004.db2.gz ABRHSKVJOYSDRL-UHFFFAOYSA-N -1 3 366.255 3.158 20 0 FGADHM COc1cccc(C(=O)Nc2cccc(-c3nc(C)cc(=O)[n-]3)c2)c1OC ZINC000047329138 494682842 /nfs/dbraw/zinc/68/28/42/494682842.db2.gz SSBWNZYFIFNUPN-UHFFFAOYSA-N -1 3 365.389 3.015 20 0 FGADHM Cc1ccc(Cl)cc1NC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000047327815 494683097 /nfs/dbraw/zinc/68/30/97/494683097.db2.gz FXNDLKMTIWGAIE-UHFFFAOYSA-N -1 3 368.824 3.283 20 0 FGADHM Cc1ccc(C(=O)N2CCN(C(=O)c3ccc(C)c(F)c3)CC2)c([O-])c1C ZINC000080364853 494685861 /nfs/dbraw/zinc/68/58/61/494685861.db2.gz VFLFEPUNAXCMKN-UHFFFAOYSA-N -1 3 370.424 3.055 20 0 FGADHM CCCO[C@@H]1CCCN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)CC1 ZINC000108391229 494694310 /nfs/dbraw/zinc/69/43/10/494694310.db2.gz LEBKXJXNVKGKBV-CQSZACIVSA-N -1 3 355.438 3.450 20 0 FGADHM Cc1csc([C@@H](C)[N-]S(=O)(=O)c2ccccc2OC(F)(F)F)n1 ZINC000067950979 494707200 /nfs/dbraw/zinc/70/72/00/494707200.db2.gz CSCPHWHOIQTBAW-SECBINFHSA-N -1 3 366.386 3.390 20 0 FGADHM CN(C)S(=O)(=O)c1ccc(C(=O)[N-]c2cc(Cl)ccc2Cl)o1 ZINC000047439553 494708640 /nfs/dbraw/zinc/70/86/40/494708640.db2.gz ADMHWPXTNMTVKK-UHFFFAOYSA-N -1 3 363.222 3.089 20 0 FGADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCS[C@H]2COCC[C@@H]21 ZINC000092762686 494739985 /nfs/dbraw/zinc/73/99/85/494739985.db2.gz NDVHPRGMZHIUJJ-ICSRJNTNSA-N -1 3 369.486 3.330 20 0 FGADHM C[C@@H]1CCN(C(=O)c2ccc([N-]S(C)(=O)=O)cc2)[C@H](c2ccco2)C1 ZINC000075390624 494754242 /nfs/dbraw/zinc/75/42/42/494754242.db2.gz XCYOSAOLVBUBRG-CJNGLKHVSA-N -1 3 362.451 3.265 20 0 FGADHM C[C@H]1CCN(C(=O)c2ccc([N-]S(C)(=O)=O)cc2)[C@@H](c2ccco2)C1 ZINC000075390627 494754284 /nfs/dbraw/zinc/75/42/84/494754284.db2.gz XCYOSAOLVBUBRG-XJKSGUPXSA-N -1 3 362.451 3.265 20 0 FGADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cn(C)nc3C(C)(C)C)cc2)n1 ZINC000092813646 494761225 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O=C(c1c([O-])cccc1O)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000092125444 494797320 /nfs/dbraw/zinc/79/73/20/494797320.db2.gz YONJAKCDVBPORH-GFCCVEGCSA-N -1 3 358.463 3.453 20 0 FGADHM CC[C@H]1CN(Cc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)CCO1 ZINC000026130280 494802736 /nfs/dbraw/zinc/80/27/36/494802736.db2.gz AEZMSYGGISGBMY-AWEZNQCLSA-N -1 3 355.463 3.262 20 0 FGADHM O=C([N-]c1nc[nH]n1)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1 ZINC000026258846 494814428 /nfs/dbraw/zinc/81/44/28/494814428.db2.gz MNPPQRJNBWOWCP-UHFFFAOYSA-N -1 3 354.757 3.156 20 0 FGADHM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-][C@@H](C)c1cccc(C)c1C ZINC000132127224 494824871 /nfs/dbraw/zinc/82/48/71/494824871.db2.gz IJCPVOXYAOPJRD-ZDUSSCGKSA-N -1 3 365.426 3.269 20 0 FGADHM O=S(=O)([N-][C@H](c1cccc(F)c1)c1ccccn1)c1ccccc1F ZINC000132140597 494827029 /nfs/dbraw/zinc/82/70/29/494827029.db2.gz APFUVADPYHIAOB-GOSISDBHSA-N -1 3 360.385 3.428 20 0 FGADHM O=C(Nc1ccc(Br)cc1[O-])c1ccc(OCC(F)F)nc1 ZINC000121640475 494827628 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COC(=O)c1sc2[n-]c(CN(CCC(C)C)C3CC3)nc(=O)c2c1C ZINC000027110807 494853361 /nfs/dbraw/zinc/85/33/61/494853361.db2.gz MCLQVBDYQLWITE-UHFFFAOYSA-N -1 3 363.483 3.090 20 0 FGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)Cc1cccc(OC(C)C)c1 ZINC000093313445 494866458 /nfs/dbraw/zinc/86/64/58/494866458.db2.gz DOHUJSCZTFPUCH-UHFFFAOYSA-N -1 3 360.410 3.382 20 0 FGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)CCCc1ccc(OC)cc1 ZINC000093312752 494866473 /nfs/dbraw/zinc/86/64/73/494866473.db2.gz ZYUBPWAPZAWRQH-UHFFFAOYSA-N -1 3 360.410 3.384 20 0 FGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)[C@@H]1SCCc2ccccc21 ZINC000093316074 494867645 /nfs/dbraw/zinc/86/76/45/494867645.db2.gz DPBSWTJBFUICDG-OAHLLOKOSA-N -1 3 360.435 3.383 20 0 FGADHM COc1ccc(C(=O)Nc2ccc(CCN3CCSCC3)cc2)c([O-])c1 ZINC000109498935 494881875 /nfs/dbraw/zinc/88/18/75/494881875.db2.gz XHMZXXCNJONSFZ-UHFFFAOYSA-N -1 3 372.490 3.244 20 0 FGADHM CS(=O)(=O)[N-]c1cc(NC(=O)Cc2cccc(C3CC3)c2)ccc1F ZINC000571501701 505748085 /nfs/dbraw/zinc/74/80/85/505748085.db2.gz 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ZINC000121942775 494896183 /nfs/dbraw/zinc/89/61/83/494896183.db2.gz PKVQLHQNZDEAAK-UHFFFAOYSA-N -1 3 363.299 3.146 20 0 FGADHM COc1ccc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)cc1-c1ccccn1 ZINC000121942775 494896186 /nfs/dbraw/zinc/89/61/86/494896186.db2.gz PKVQLHQNZDEAAK-UHFFFAOYSA-N -1 3 363.299 3.146 20 0 FGADHM COCCCCN(Cc1ccccc1)C(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000121972463 494901587 /nfs/dbraw/zinc/90/15/87/494901587.db2.gz NDXWUALEDLVKFO-UHFFFAOYSA-N -1 3 370.449 3.420 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2cc(NC(C)=O)ccc2F)c(C)c1C ZINC000117227871 494902018 /nfs/dbraw/zinc/90/20/18/494902018.db2.gz RMLVYLCIBWAYSL-UHFFFAOYSA-N -1 3 366.414 3.210 20 0 FGADHM Cc1cc([N-]C(=O)[C@H](C)N2CCC(C(F)(F)F)(C(F)(F)F)C2)on1 ZINC000117354207 494913283 /nfs/dbraw/zinc/91/32/83/494913283.db2.gz HAGVZUKKPOZZTC-QMMMGPOBSA-N -1 3 359.270 3.127 20 0 FGADHM Cc1nc(S(=O)(=O)[N-][C@@H](c2ccc(F)cc2F)C(C)(C)C)cn1C ZINC000127253579 494917188 /nfs/dbraw/zinc/91/71/88/494917188.db2.gz IWRKVOOOZDJIBB-HNNXBMFYSA-N -1 3 357.426 3.072 20 0 FGADHM Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)c2cnc3c(cnn3C)c2[O-])C1 ZINC000132741106 494917313 /nfs/dbraw/zinc/91/73/13/494917313.db2.gz UYEQSBIYFHUPRW-KBPBESRZSA-N -1 3 350.422 3.001 20 0 FGADHM Cc1ccc(CN2CCSCC2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000127314513 494926835 /nfs/dbraw/zinc/92/68/35/494926835.db2.gz DNWYEHQICFBXQD-UHFFFAOYSA-N -1 3 362.520 3.345 20 0 FGADHM CCc1cccc(C(=O)N(C)[C@H](C)c2ccc(-n3cncn3)cc2)c1[O-] ZINC000093905966 494933139 /nfs/dbraw/zinc/93/31/39/494933139.db2.gz SPVNDHACYZJBJN-CQSZACIVSA-N -1 3 350.422 3.369 20 0 FGADHM O=C(CSCc1cccc(Cl)c1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000127472364 494949014 /nfs/dbraw/zinc/94/90/14/494949014.db2.gz WHHIPPMKEFMQEG-UHFFFAOYSA-N -1 3 359.842 3.392 20 0 FGADHM O=C(CSCc1cccc(Cl)c1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000127472364 494949018 /nfs/dbraw/zinc/94/90/18/494949018.db2.gz WHHIPPMKEFMQEG-UHFFFAOYSA-N -1 3 359.842 3.392 20 0 FGADHM CCCOc1ccc(OCC(=O)[N-]c2nncn2Cc2ccccc2)cc1 ZINC000117733507 494950434 /nfs/dbraw/zinc/95/04/34/494950434.db2.gz HZUOCCPVJIURAY-UHFFFAOYSA-N -1 3 366.421 3.133 20 0 FGADHM COc1ccccc1-c1nc([N-]C(=O)c2nc(C(C)C)ncc2Cl)n[nH]1 ZINC000127484356 494951323 /nfs/dbraw/zinc/95/13/23/494951323.db2.gz VPEQSLKNZJTPEE-UHFFFAOYSA-N -1 3 372.816 3.299 20 0 FGADHM C[C@@H](Oc1ccccc1Cl)C(=O)[N-]c1nncn1Cc1ccccc1 ZINC000117736008 494951686 /nfs/dbraw/zinc/95/16/86/494951686.db2.gz UHNVGTQXBJMUTM-CYBMUJFWSA-N -1 3 356.813 3.386 20 0 FGADHM CCc1ccc([O-])c(C(=O)Nc2cc(C(C)C)nn2-c2ncccn2)c1 ZINC000094132346 494953070 /nfs/dbraw/zinc/95/30/70/494953070.db2.gz QQLOCJOEDHGEFV-UHFFFAOYSA-N -1 3 351.410 3.306 20 0 FGADHM Cc1cccc(C(=O)Nc2ccc(C(N)=O)c(N3CCCCC3)c2)c1[O-] ZINC000094138036 494953838 /nfs/dbraw/zinc/95/38/38/494953838.db2.gz GREGOUWWNNOYDW-UHFFFAOYSA-N -1 3 353.422 3.042 20 0 FGADHM CCCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)cc1 ZINC000133034212 494959331 /nfs/dbraw/zinc/95/93/31/494959331.db2.gz USCRJMAADSTVIA-UHFFFAOYSA-N -1 3 374.462 3.185 20 0 FGADHM COC(=O)c1ccsc1[N-]C(=O)C(=O)N(CC(C)C)CC(C)(C)C ZINC000127561376 494962554 /nfs/dbraw/zinc/96/25/54/494962554.db2.gz NWBGRPUIETYXSQ-UHFFFAOYSA-N -1 3 354.472 3.004 20 0 FGADHM Cc1cc(S(=O)(=O)[N-][C@@H](C2CC2)C(F)(F)F)ccc1OC(C)C ZINC000568687749 505752296 /nfs/dbraw/zinc/75/22/96/505752296.db2.gz IKTPTFQOVVVDIF-AWEZNQCLSA-N -1 3 351.390 3.401 20 0 FGADHM O=C(Nc1nncn1Cc1ccccc1)c1c[n-]nc1-c1ccc(F)cc1 ZINC000117990411 494969128 /nfs/dbraw/zinc/96/91/28/494969128.db2.gz XQMLYCYYAHYKLM-UHFFFAOYSA-N -1 3 362.368 3.108 20 0 FGADHM COCCC1(C(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)CCCC1 ZINC000127641788 494974722 /nfs/dbraw/zinc/97/47/22/494974722.db2.gz ZRWIFMUJKSIGFQ-UHFFFAOYSA-N -1 3 355.438 3.281 20 0 FGADHM O=C(CCOc1ccc(F)cc1Cl)Nc1cccc(-c2nnn[n-]2)c1 ZINC000122488244 494984080 /nfs/dbraw/zinc/98/40/80/494984080.db2.gz XGUFOMULFUXARM-UHFFFAOYSA-N -1 3 361.764 3.067 20 0 FGADHM O=C(CCOc1ccc(F)cc1Cl)Nc1cccc(-c2nn[n-]n2)c1 ZINC000122488244 494984083 /nfs/dbraw/zinc/98/40/83/494984083.db2.gz XGUFOMULFUXARM-UHFFFAOYSA-N -1 3 361.764 3.067 20 0 FGADHM O=C(c1ccccc1[O-])N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000133300209 494996842 /nfs/dbraw/zinc/99/68/42/494996842.db2.gz JADVEGGIIGAJRP-INIZCTEOSA-N -1 3 362.223 3.368 20 0 FGADHM O=C([N-]c1ccncc1F)c1occc1CS(=O)(=O)c1ccccc1 ZINC000122639863 495008383 /nfs/dbraw/zinc/00/83/83/495008383.db2.gz AENBPKUFFPGFOP-UHFFFAOYSA-N -1 3 360.366 3.040 20 0 FGADHM CC[C@H](CC(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1ccc(OC)cc1 ZINC000127984770 495026920 /nfs/dbraw/zinc/02/69/20/495026920.db2.gz HQPXQGZEGGQSIT-OAHLLOKOSA-N -1 3 365.437 3.075 20 0 FGADHM CC[C@H](CC(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1ccc(OC)cc1 ZINC000127984770 495026923 /nfs/dbraw/zinc/02/69/23/495026923.db2.gz HQPXQGZEGGQSIT-OAHLLOKOSA-N -1 3 365.437 3.075 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N2C[C@@H](c3ccccc3C)OC[C@@H]2C)c1 ZINC000122823344 495036947 /nfs/dbraw/zinc/03/69/47/495036947.db2.gz BWYXCENTQNBLGX-XOBRGWDASA-N -1 3 368.433 3.261 20 0 FGADHM CC(=O)Nc1ccc(Cl)c(C(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)c1 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O=C(c1c[n-]c2ccccc2c1=O)N1CCC(OC2CCCCC2)CC1 ZINC000124295229 495264690 /nfs/dbraw/zinc/26/46/90/495264690.db2.gz NUZWMUMVIPCBPV-UHFFFAOYSA-N -1 3 354.450 3.482 20 0 FGADHM COc1ccc([O-])c(C(=O)Nc2cccc(C)c2C(=O)N2CCCC2)c1 ZINC000129643585 495274380 /nfs/dbraw/zinc/27/43/80/495274380.db2.gz XYKHSEBVKQBJOU-UHFFFAOYSA-N -1 3 354.406 3.198 20 0 FGADHM CC[C@@H](CC(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1)C(C)C ZINC000104288651 495275742 /nfs/dbraw/zinc/27/57/42/495275742.db2.gz WYZGWAXRRVHRBB-ZDUSSCGKSA-N -1 3 356.488 3.468 20 0 FGADHM CCOc1cc(C(=O)Nc2n[n-]c(-c3ccccc3OC)n2)ccc1C ZINC000113154248 495279178 /nfs/dbraw/zinc/27/91/78/495279178.db2.gz BEYGFOSIEGNZCN-UHFFFAOYSA-N -1 3 352.394 3.440 20 0 FGADHM CCSc1ccc(Cl)cc1NC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000104482408 495286203 /nfs/dbraw/zinc/28/62/03/495286203.db2.gz XUMHHDILAGAJMT-UHFFFAOYSA-N -1 3 351.859 3.333 20 0 FGADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]C[C@H]2CC=CCC2)cc1Cl ZINC000104738485 495301734 /nfs/dbraw/zinc/30/17/34/495301734.db2.gz OMBDDMMXKUOQTD-NSHDSACASA-N -1 3 360.838 3.072 20 0 FGADHM Cc1csc(-c2ccc(NC(=O)c3ccc4c(c3)C(=O)[N-]C4=O)cc2)n1 ZINC000104881101 495312312 /nfs/dbraw/zinc/31/23/12/495312312.db2.gz DGTMODFCAGLSPC-UHFFFAOYSA-N -1 3 363.398 3.254 20 0 FGADHM CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000104872865 495312361 /nfs/dbraw/zinc/31/23/61/495312361.db2.gz BQENJLNMGQFTNX-VQIMIIECSA-N -1 3 362.429 3.369 20 0 FGADHM COc1ccc(N(C(=O)CCc2c(C)nc(C)[n-]c2=O)[C@@H](C)C2CC2)cc1 ZINC000124593591 495313116 /nfs/dbraw/zinc/31/31/16/495313116.db2.gz DWYMPVUITAYAKE-AWEZNQCLSA-N -1 3 369.465 3.160 20 0 FGADHM Cc1ccc(CN2C(=O)CC[C@H]2c2nc(-c3ccc4n[n-]nc4c3)no2)cc1 ZINC000580509930 505774549 /nfs/dbraw/zinc/77/45/49/505774549.db2.gz IZJXTUWFPNUHKV-KRWDZBQOSA-N -1 3 374.404 3.180 20 0 FGADHM Cc1oc2ccccc2c1CN1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000130031785 495331230 /nfs/dbraw/zinc/33/12/30/495331230.db2.gz MZSIWKDGRSETDU-UHFFFAOYSA-N -1 3 350.418 3.405 20 0 FGADHM CC(C)c1cccc(O[C@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000130090832 495339673 /nfs/dbraw/zinc/33/96/73/495339673.db2.gz FBDHAGIOCZIXNW-CYBMUJFWSA-N -1 3 351.410 3.396 20 0 FGADHM CC(C)c1cccc(O[C@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000130090832 495339677 /nfs/dbraw/zinc/33/96/77/495339677.db2.gz FBDHAGIOCZIXNW-CYBMUJFWSA-N -1 3 351.410 3.396 20 0 FGADHM C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000124828956 495349892 /nfs/dbraw/zinc/34/98/92/495349892.db2.gz XLBQMEBIQYFSNT-LLVKDONJSA-N -1 3 371.824 3.319 20 0 FGADHM C[C@H](CC1CCCCC1)C(=O)Nc1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000114241848 495356811 /nfs/dbraw/zinc/35/68/11/495356811.db2.gz RWPIBBVROMATPC-ZUOKHONESA-N -1 3 357.454 3.286 20 0 FGADHM C[C@H](CC1CCCCC1)C(=O)Nc1cccc([C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000114241853 495356865 /nfs/dbraw/zinc/35/68/65/495356865.db2.gz RWPIBBVROMATPC-XCLFUZPHSA-N -1 3 357.454 3.286 20 0 FGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@H](C)c2ccccc2)cc1OC ZINC000120347195 495357904 /nfs/dbraw/zinc/35/79/04/495357904.db2.gz AULPHQDIWVJHTK-CYBMUJFWSA-N -1 3 362.451 3.199 20 0 FGADHM Cc1cc(C)n(-c2ccc(NC(=O)Cc3ccc([O-])cc3Cl)cn2)n1 ZINC000136152006 495359909 /nfs/dbraw/zinc/35/99/09/495359909.db2.gz VRIBNMIVUYQFTM-UHFFFAOYSA-N -1 3 356.813 3.424 20 0 FGADHM CN(C(=O)c1ccccc1[O-])C1CCN(c2ncnc3ccccc32)CC1 ZINC000105381162 495360655 /nfs/dbraw/zinc/36/06/55/495360655.db2.gz RFYXRRRAYHYFFU-UHFFFAOYSA-N -1 3 362.433 3.076 20 0 FGADHM Cc1n[nH]c(C)c1[C@H](C)CC(=O)Nc1cccc(-c2nc(C)cc(=O)[n-]2)c1 ZINC000136244203 495367184 /nfs/dbraw/zinc/36/71/84/495367184.db2.gz ITBSZOSJDUHNTI-LLVKDONJSA-N -1 3 365.437 3.218 20 0 FGADHM CN(C)CCOc1ccc(NC(=O)c2c([O-])cccc2F)cc1Cl ZINC000125015158 495378032 /nfs/dbraw/zinc/37/80/32/495378032.db2.gz HCBPZKDDJKCQJQ-UHFFFAOYSA-N -1 3 352.793 3.377 20 0 FGADHM CC(C)c1cc(C[N-]S(=O)(=O)c2ccccc2OC(F)(F)F)on1 ZINC000114499472 495386207 /nfs/dbraw/zinc/38/62/07/495386207.db2.gz BAXLEWCDNPTTCX-UHFFFAOYSA-N -1 3 364.345 3.175 20 0 FGADHM CCC(CC)N(CC(C)C)C(=O)C(=O)[N-]c1sccc1C(=O)OC ZINC000130420072 495389300 /nfs/dbraw/zinc/38/93/00/495389300.db2.gz ZJJCWBHFDIBLGU-UHFFFAOYSA-N -1 3 354.472 3.146 20 0 FGADHM Cn1ccnc1SCc1ccc(C(=O)[N-]c2nnc(C3CC3)s2)o1 ZINC000105830560 495394051 /nfs/dbraw/zinc/39/40/51/495394051.db2.gz BANKWWUWRYSAHN-UHFFFAOYSA-N -1 3 361.452 3.287 20 0 FGADHM Cc1c(Cl)cccc1NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000136700062 495395832 /nfs/dbraw/zinc/39/58/32/495395832.db2.gz HBLOZQFAZMBNOF-UHFFFAOYSA-N -1 3 373.840 3.344 20 0 FGADHM O=c1[n-]nc(SCCOc2ccc3ccccc3c2)n1C[C@@H]1CCCO1 ZINC000106062971 495408512 /nfs/dbraw/zinc/40/85/12/495408512.db2.gz HAOMYAGFSYFRLT-KRWDZBQOSA-N -1 3 371.462 3.075 20 0 FGADHM CCCOc1nc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)cc2ccccc21 ZINC000114681118 495408665 /nfs/dbraw/zinc/40/86/65/495408665.db2.gz NQLSCMSZLPQDGX-UHFFFAOYSA-N -1 3 365.315 3.413 20 0 FGADHM CCCOc1nc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)cc2ccccc21 ZINC000114681118 495408668 /nfs/dbraw/zinc/40/86/68/495408668.db2.gz NQLSCMSZLPQDGX-UHFFFAOYSA-N -1 3 365.315 3.413 20 0 FGADHM CCCN(C)C(=O)c1sccc1S(=O)(=O)[N-]C1CCCCCC1 ZINC000125248073 495413733 /nfs/dbraw/zinc/41/37/33/495413733.db2.gz MYBWBIVZPHOVSP-UHFFFAOYSA-N -1 3 358.529 3.231 20 0 FGADHM C[C@@H](CC(=O)Nc1ccc([O-])c(C(F)(F)F)c1)NC(=O)C1CCCC1 ZINC000125304604 495423927 /nfs/dbraw/zinc/42/39/27/495423927.db2.gz URBKPIIHPNGPCV-JTQLQIEISA-N -1 3 358.360 3.435 20 0 FGADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)[C@H]1C[C@@]12CCCc1ccccc12 ZINC000120660837 495429271 /nfs/dbraw/zinc/42/92/71/495429271.db2.gz IKTIHGKBDSRVGP-WIYYLYMNSA-N -1 3 359.433 3.023 20 0 FGADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)[C@H]1C[C@@]12CCCc1ccccc12 ZINC000120660837 495429275 /nfs/dbraw/zinc/42/92/75/495429275.db2.gz IKTIHGKBDSRVGP-WIYYLYMNSA-N -1 3 359.433 3.023 20 0 FGADHM O=C(CNC(=O)c1cccc(Cl)c1)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000125347384 495430356 /nfs/dbraw/zinc/43/03/56/495430356.db2.gz JANDMLWXXSMXCY-UHFFFAOYSA-N -1 3 372.730 3.433 20 0 FGADHM C[C@@H](CSc1ccccc1)C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000120685387 495434513 /nfs/dbraw/zinc/43/45/13/495434513.db2.gz VQNFLICEMAEQRH-ZDUSSCGKSA-N -1 3 353.451 3.157 20 0 FGADHM C[C@@H](CSc1ccccc1)C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000120685387 495434517 /nfs/dbraw/zinc/43/45/17/495434517.db2.gz VQNFLICEMAEQRH-ZDUSSCGKSA-N -1 3 353.451 3.157 20 0 FGADHM Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)c1c[n-]c2ccccc2c1=O ZINC000137310407 495436150 /nfs/dbraw/zinc/43/61/50/495436150.db2.gz LTKHTCYUGAKZSE-LBPRGKRZSA-N -1 3 352.438 3.279 20 0 FGADHM COC(=O)c1c(F)ccc([N-]S(=O)(=O)c2cc(C)c(F)c(C)c2)c1C ZINC000568821217 505784091 /nfs/dbraw/zinc/78/40/91/505784091.db2.gz WPEDBBAZJRMWAF-UHFFFAOYSA-N -1 3 369.389 3.477 20 0 FGADHM CCc1noc(C)c1[N-]C(=O)c1nnn(-c2cccc3cccnc32)c1C ZINC000120832753 495467042 /nfs/dbraw/zinc/46/70/42/495467042.db2.gz XUJAYUMRKJZJTI-UHFFFAOYSA-N -1 3 362.393 3.235 20 0 FGADHM O=S(=O)([N-]Cc1ccn(C2CCCC2)n1)c1ccc(F)cc1Cl ZINC000125698377 495484603 /nfs/dbraw/zinc/48/46/03/495484603.db2.gz UGIWBZPMQKIRAS-UHFFFAOYSA-N -1 3 357.838 3.269 20 0 FGADHM O=C(NCc1cccc(NC(=O)C2CCCC2)c1)c1c([O-])cccc1O ZINC000125707461 495486055 /nfs/dbraw/zinc/48/60/55/495486055.db2.gz CWGRZHBLRZTYIW-UHFFFAOYSA-N -1 3 354.406 3.157 20 0 FGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]CCc3cscn3)s2)cs1 ZINC000120923154 495486717 /nfs/dbraw/zinc/48/67/17/495486717.db2.gz FFPOUPBCEHENMW-UHFFFAOYSA-N -1 3 371.534 3.158 20 0 FGADHM Cc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1ccc(OC(F)F)c(F)c1)CO2 ZINC000568830976 505786555 /nfs/dbraw/zinc/78/65/55/505786555.db2.gz YPWHYJMHISGBPG-ZDUSSCGKSA-N -1 3 373.352 3.148 20 0 FGADHM C[C@H](Cc1nc2ccccc2s1)[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000121056376 495514202 /nfs/dbraw/zinc/51/42/02/495514202.db2.gz XEHSRJHAJGKIKB-SNVBAGLBSA-N -1 3 368.430 3.484 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CNCc3ccco3)c2)cc1 ZINC000115627093 495521419 /nfs/dbraw/zinc/52/14/19/495521419.db2.gz QJVPLVNGBGFLLZ-UHFFFAOYSA-N -1 3 372.446 3.379 20 0 FGADHM CCCCN(C)c1ccc(NC(=O)CCc2c(C)nc(C)[n-]c2=O)cc1 ZINC000107181735 495523410 /nfs/dbraw/zinc/52/34/10/495523410.db2.gz ZPWILZXARHMVDH-UHFFFAOYSA-N -1 3 356.470 3.194 20 0 FGADHM O=C(Nc1nc(Cc2ccccc2)ns1)c1c[n-]c2ccccc2c1=O ZINC000107356447 495525973 /nfs/dbraw/zinc/52/59/73/495525973.db2.gz MBMUHTGOWZDUHT-UHFFFAOYSA-N -1 3 362.414 3.223 20 0 FGADHM O=C(Nc1nc(Cc2ccccc2)ns1)c1cnc2ccccc2c1[O-] ZINC000107356447 495525974 /nfs/dbraw/zinc/52/59/74/495525974.db2.gz MBMUHTGOWZDUHT-UHFFFAOYSA-N -1 3 362.414 3.223 20 0 FGADHM COCCOc1ccc(Cl)cc1C(=O)[N-]c1nnc(C(F)F)s1 ZINC000176175585 495532378 /nfs/dbraw/zinc/53/23/78/495532378.db2.gz CMMAVFHFYVPLIL-UHFFFAOYSA-N -1 3 363.773 3.407 20 0 FGADHM C[C@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1cc(Br)ccc1[O-] ZINC000176190702 495538565 /nfs/dbraw/zinc/53/85/65/495538565.db2.gz MITQNVMLAJDGCV-PSLIRLAXSA-N -1 3 364.195 3.322 20 0 FGADHM O=S(=O)([N-]C[C@@H]1CCCCO1)c1ccc(Cl)cc1C(F)(F)F ZINC000145387633 495554974 /nfs/dbraw/zinc/55/49/74/495554974.db2.gz YOVPJWWHVHCELT-JTQLQIEISA-N -1 3 357.781 3.206 20 0 FGADHM Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(F)(F)F)nc2)c1F ZINC000182419855 495556262 /nfs/dbraw/zinc/55/62/62/495556262.db2.gz DWMHFLILGADFLR-UHFFFAOYSA-N -1 3 364.320 3.271 20 0 FGADHM CO[C@@H](CS(=O)(=O)[N-]c1cc(C)c(Br)c(C)c1)C1CC1 ZINC000571681204 505789843 /nfs/dbraw/zinc/78/98/43/505789843.db2.gz JIAOYEXKMHOBDX-ZDUSSCGKSA-N -1 3 362.289 3.233 20 0 FGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H](C)Cc1cccs1 ZINC000158714932 495574677 /nfs/dbraw/zinc/57/46/77/495574677.db2.gz MHBJSYMAVQNSEB-JTQLQIEISA-N -1 3 373.883 3.098 20 0 FGADHM CC(C)(C)c1csc(CN2CCN(C(=O)c3ccc([O-])cc3)CC2)n1 ZINC000154366586 495595045 /nfs/dbraw/zinc/59/50/45/495595045.db2.gz OYLVWACULNZJGL-UHFFFAOYSA-N -1 3 359.495 3.104 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N([C@H](C)C2CC2)C2CC2)c1 ZINC000179456929 495599142 /nfs/dbraw/zinc/59/91/42/495599142.db2.gz HZUVJEPWUUSFLT-LLVKDONJSA-N -1 3 369.421 3.344 20 0 FGADHM CCOC(=O)c1nnc([N-]C(=O)c2ccc(F)cc2C(F)(F)F)s1 ZINC000150730617 495615392 /nfs/dbraw/zinc/61/53/92/495615392.db2.gz ZULFVRATKCNGLP-UHFFFAOYSA-N -1 3 363.292 3.125 20 0 FGADHM Cc1ccc(-c2cc(C(=O)Nc3ccc(C)c(C(=O)N(C)C)c3)n[n-]2)o1 ZINC000176367721 495622944 /nfs/dbraw/zinc/62/29/44/495622944.db2.gz AGRQGGRIUNPHQA-UHFFFAOYSA-N -1 3 352.394 3.241 20 0 FGADHM Cc1ccc(-c2cc(C(=O)Nc3ccc(C)c(C(=O)N(C)C)c3)[n-]n2)o1 ZINC000176367721 495622950 /nfs/dbraw/zinc/62/29/50/495622950.db2.gz AGRQGGRIUNPHQA-UHFFFAOYSA-N -1 3 352.394 3.241 20 0 FGADHM COc1cc2[nH]c(CCCNC(=O)c3cccc([O-])c3)cc2c(OC)c1 ZINC000182583054 495624256 /nfs/dbraw/zinc/62/42/56/495624256.db2.gz VVDQKWZVWIHOOT-UHFFFAOYSA-N -1 3 354.406 3.253 20 0 FGADHM Cc1occc1C(=O)Nc1nc(CC(=O)Nc2c(C)cccc2[O-])cs1 ZINC000179550566 495636630 /nfs/dbraw/zinc/63/66/30/495636630.db2.gz DPYSYLULSNVBGX-UHFFFAOYSA-N -1 3 371.418 3.492 20 0 FGADHM Cc1cc(Cl)cc(NC(=O)c2cn(Cc3cccc(F)c3)nn2)c1[O-] ZINC000150798717 495637803 /nfs/dbraw/zinc/63/78/03/495637803.db2.gz KQMYLCJCIHRQJM-UHFFFAOYSA-N -1 3 360.776 3.385 20 0 FGADHM O=C(CSCc1ccccn1)Nc1cc(Br)ccc1[O-] ZINC000176431657 495648257 /nfs/dbraw/zinc/64/82/57/495648257.db2.gz SWYWFRUGWRQGDV-UHFFFAOYSA-N -1 3 353.241 3.422 20 0 FGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NC[C@H](C)c1ccc(F)cc1F ZINC000176483272 495668331 /nfs/dbraw/zinc/66/83/31/495668331.db2.gz HCZIYRARCJQWSB-JTQLQIEISA-N -1 3 363.408 3.188 20 0 FGADHM COc1ccc(-c2nc([N-]C(=O)c3csc(C(C)C)n3)n[nH]2)c(OC)c1 ZINC000171003658 495684327 /nfs/dbraw/zinc/68/43/27/495684327.db2.gz WHBUIZCEHUISRV-UHFFFAOYSA-N -1 3 373.438 3.321 20 0 FGADHM O=C(N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)c1ccc(O)cc1[O-] ZINC000179689767 495692058 /nfs/dbraw/zinc/69/20/58/495692058.db2.gz LHIGOLCRXYWEQM-GOEBONIOSA-N -1 3 351.761 3.150 20 0 FGADHM CCc1ccc(NC(=O)NCCNC(=O)c2ccc([O-])cc2)cc1CC ZINC000182761639 495693255 /nfs/dbraw/zinc/69/32/55/495693255.db2.gz UMOXGMXQPWBQCO-UHFFFAOYSA-N -1 3 355.438 3.069 20 0 FGADHM O=S(=O)([N-][C@H](c1ccccc1)[C@@H]1CCCO1)c1cc(F)cc(F)c1 ZINC000171041900 495700471 /nfs/dbraw/zinc/70/04/71/495700471.db2.gz YORWYXFLGLGZLV-DLBZAZTESA-N -1 3 353.390 3.163 20 0 FGADHM C[C@@H](c1nc(-c2ccccc2)no1)[S@](=O)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000574546827 505798443 /nfs/dbraw/zinc/79/84/43/505798443.db2.gz UEDIATUXHCAKDF-KPHLJTLVSA-N -1 3 370.434 3.120 20 0 FGADHM O=C(Nc1ccc(-c2noc(C(F)(F)F)n2)cc1)c1ccc2n[n-]nc2c1 ZINC000171054544 495704609 /nfs/dbraw/zinc/70/46/09/495704609.db2.gz ZUMHAUAPNHQDAV-UHFFFAOYSA-N -1 3 374.282 3.279 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)c3cnc4ccc(F)cc4c3)[n-]c21 ZINC000179775386 495730494 /nfs/dbraw/zinc/73/04/94/495730494.db2.gz KIENMYBZLSTJFE-UHFFFAOYSA-N -1 3 364.336 3.289 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cnc4ccc(F)cc4c3)nc21 ZINC000179775386 495730500 /nfs/dbraw/zinc/73/05/00/495730500.db2.gz KIENMYBZLSTJFE-UHFFFAOYSA-N -1 3 364.336 3.289 20 0 FGADHM COc1cc(C(=O)[N-]c2cccc(C(=O)Nc3cccc(F)c3)c2)on1 ZINC000182861721 495732519 /nfs/dbraw/zinc/73/25/19/495732519.db2.gz LJNKCTMYIMJLLO-UHFFFAOYSA-N -1 3 355.325 3.327 20 0 FGADHM C[C@@H](NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)c1ccc(-c2cccnc2)cc1 ZINC000176658926 495737516 /nfs/dbraw/zinc/73/75/16/495737516.db2.gz AIRBDBXDKVAIPH-CYBMUJFWSA-N -1 3 371.396 3.123 20 0 FGADHM CCOCCO[C@H](C)C(=O)[N-]c1cc(-c2ccc(OC(F)F)cc2)no1 ZINC000176667458 495741052 /nfs/dbraw/zinc/74/10/52/495741052.db2.gz QZTFQILHWJLOLZ-LLVKDONJSA-N -1 3 370.352 3.323 20 0 FGADHM C[C@H](SCc1nncn1C)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000179807442 495741226 /nfs/dbraw/zinc/74/12/26/495741226.db2.gz WQGNNYUVHFWNOV-VIFPVBQESA-N -1 3 373.463 3.368 20 0 FGADHM CCCC[C@H](NC(N)=O)C(=O)Nc1cc(Cc2ccccc2)ccc1[O-] ZINC000179808541 495742821 /nfs/dbraw/zinc/74/28/21/495742821.db2.gz VLOYCCFSAMMPHJ-INIZCTEOSA-N -1 3 355.438 3.149 20 0 FGADHM C[C@@H](Sc1nncn1C)C(=O)Nc1cc(Cc2ccccc2)ccc1[O-] ZINC000179807936 495743244 /nfs/dbraw/zinc/74/32/44/495743244.db2.gz DCUXGXRSXMCLKG-CYBMUJFWSA-N -1 3 368.462 3.231 20 0 FGADHM CCc1oc(C(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)cc1C ZINC000151202403 495769968 /nfs/dbraw/zinc/76/99/68/495769968.db2.gz GRSFRHWSBALHGK-UHFFFAOYSA-N -1 3 356.422 3.347 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)NC[C@@H](c3cccs3)N(C)C)c[n-]c12 ZINC000154915518 495770464 /nfs/dbraw/zinc/77/04/64/495770464.db2.gz QAJJBTHPBBKMAI-HNNXBMFYSA-N -1 3 373.453 3.070 20 0 FGADHM O=C(N[C@@H]1CCCN(c2ccccc2F)C1)c1c[n-]c2ccccc2c1=O ZINC000154913228 495770839 /nfs/dbraw/zinc/77/08/39/495770839.db2.gz PUSCVVLIEPPOAP-CQSZACIVSA-N -1 3 365.408 3.066 20 0 FGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H](OC)c2ccccc2)c1 ZINC000173978171 495772919 /nfs/dbraw/zinc/77/29/19/495772919.db2.gz VSKPXJUYMHELAW-HNNXBMFYSA-N -1 3 355.843 3.015 20 0 FGADHM COC(=O)[C@H](C)N(Cc1ccccc1)C(=O)Cc1ccc([O-])cc1Cl ZINC000182963960 495777404 /nfs/dbraw/zinc/77/74/04/495777404.db2.gz DAHZKAGACAFOQL-ZDUSSCGKSA-N -1 3 361.825 3.178 20 0 FGADHM COc1cc(C)c(S(=O)(=O)[N-]c2cc(OC)c(C)c(OC)c2)c(C)c1 ZINC000580637545 505803224 /nfs/dbraw/zinc/80/32/24/505803224.db2.gz YRTIRRQFBQDESK-UHFFFAOYSA-N -1 3 365.451 3.438 20 0 FGADHM CNC(=O)C1(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)CC1 ZINC000179937651 495791423 /nfs/dbraw/zinc/79/14/23/495791423.db2.gz GDLRPVVKKVQARX-UHFFFAOYSA-N -1 3 367.430 3.134 20 0 FGADHM COc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C)c2nc(C(C)(C)C)no2)c1 ZINC000174042002 495800980 /nfs/dbraw/zinc/80/09/80/495800980.db2.gz GPMTVPPQJBQUTK-VIFPVBQESA-N -1 3 373.862 3.069 20 0 FGADHM CC(C)(C)CCC(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000155036642 495811970 /nfs/dbraw/zinc/81/19/70/495811970.db2.gz WKKBLVFDAJSWCU-UHFFFAOYSA-N -1 3 366.405 3.292 20 0 FGADHM Cc1cccc([O-])c1NC(=O)C[C@@H](C)S(=O)(=O)c1ccc(F)cc1 ZINC000183047222 495812600 /nfs/dbraw/zinc/81/26/00/495812600.db2.gz OSGQNRXPWKPCPF-GFCCVEGCSA-N -1 3 351.399 3.031 20 0 FGADHM Cc1nn(-c2ccccc2)cc1CNC(=O)Cc1ccc([O-])cc1Cl ZINC000183051032 495814716 /nfs/dbraw/zinc/81/47/16/495814716.db2.gz LJKKRWJDWLHCNA-UHFFFAOYSA-N -1 3 355.825 3.399 20 0 FGADHM Cc1cccc(F)c1S(=O)(=O)[N-]C1CCN(Cc2ccccc2)CC1 ZINC000186007387 495818464 /nfs/dbraw/zinc/81/84/64/495818464.db2.gz LDVOSHMGWNYCPG-UHFFFAOYSA-N -1 3 362.470 3.077 20 0 FGADHM CCS(=O)(=O)[N-]C1(c2noc(CC3CCCC3)n2)CCCCCC1 ZINC000155062755 495821246 /nfs/dbraw/zinc/82/12/46/495821246.db2.gz QCOODASRQVZPIH-UHFFFAOYSA-N -1 3 355.504 3.291 20 0 FGADHM COC(=O)c1ccc(CN2CCC(C(=O)Nc3ccccc3[O-])CC2)s1 ZINC000176955407 495855944 /nfs/dbraw/zinc/85/59/44/495855944.db2.gz AYPDYPLXRAGDFQ-UHFFFAOYSA-N -1 3 374.462 3.091 20 0 FGADHM Cc1cc2cc(NC(=O)CCNC(=O)c3ccc(C)cc3[O-])ccc2[nH]1 ZINC000171399293 495856339 /nfs/dbraw/zinc/85/63/39/495856339.db2.gz KYEZJVFPWCMCEO-UHFFFAOYSA-N -1 3 351.406 3.249 20 0 FGADHM Cc1c(Br)scc1C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000186105782 495857376 /nfs/dbraw/zinc/85/73/76/495857376.db2.gz FFHQDBVLCZBTDI-UHFFFAOYSA-N -1 3 355.139 3.208 20 0 FGADHM Cc1c(Br)scc1C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000186105782 495857379 /nfs/dbraw/zinc/85/73/79/495857379.db2.gz FFHQDBVLCZBTDI-UHFFFAOYSA-N -1 3 355.139 3.208 20 0 FGADHM NC(=O)CSc1ccccc1[N-]C(=O)c1cnc(-c2ccccn2)s1 ZINC000171404582 495858892 /nfs/dbraw/zinc/85/88/92/495858892.db2.gz YBRVDXFFYBHMLO-UHFFFAOYSA-N -1 3 370.459 3.035 20 0 FGADHM O=S(=O)([N-]C1(c2cccc(C(F)(F)F)c2)CCC1)c1ccccn1 ZINC000574588517 505808437 /nfs/dbraw/zinc/80/84/37/505808437.db2.gz ICXMGGGWEUJLSU-UHFFFAOYSA-N -1 3 356.369 3.458 20 0 FGADHM Cc1nc([C@@](C)([N-]S(=O)(=O)c2csc3ccccc32)C2CC2)no1 ZINC000574588481 505808502 /nfs/dbraw/zinc/80/85/02/505808502.db2.gz WDYPEAKXSNXTFN-INIZCTEOSA-N -1 3 363.464 3.196 20 0 FGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000186174976 495884855 /nfs/dbraw/zinc/88/48/55/495884855.db2.gz WDUMPRONIAWPKT-ZDUSSCGKSA-N -1 3 361.891 3.365 20 0 FGADHM CCO[C@H](C(=O)Nc1n[n-]c(-c2ccccc2OC)n1)c1ccccc1 ZINC000171477420 495892988 /nfs/dbraw/zinc/89/29/88/495892988.db2.gz CELORBUVAATNEQ-INIZCTEOSA-N -1 3 352.394 3.197 20 0 FGADHM O=C(Nc1ccc([O-])cc1F)[C@H]1CCCN1c1ncnc2sccc21 ZINC000183240551 495893894 /nfs/dbraw/zinc/89/38/94/495893894.db2.gz SYCFPUZJCIKVIF-CQSZACIVSA-N -1 3 358.398 3.144 20 0 FGADHM COc1ccc(C(=O)NCc2ccc([O-])c(Br)c2)cc1OC ZINC000151616393 495894672 /nfs/dbraw/zinc/89/46/72/495894672.db2.gz ZUXFIBIZQGXHIK-UHFFFAOYSA-N -1 3 366.211 3.102 20 0 FGADHM CCOC(=O)c1cc(NC(=O)c2ccc(N(C)c3ccccc3)nc2)n[n-]1 ZINC000183278637 495913406 /nfs/dbraw/zinc/91/34/06/495913406.db2.gz IGPKMJUZNHWICE-UHFFFAOYSA-N -1 3 365.393 3.002 20 0 FGADHM CCOC(=O)c1cc(NC(=O)c2ccc(N(C)c3ccccc3)nc2)[n-]n1 ZINC000183278637 495913408 /nfs/dbraw/zinc/91/34/08/495913408.db2.gz IGPKMJUZNHWICE-UHFFFAOYSA-N -1 3 365.393 3.002 20 0 FGADHM O=C(c1ccc2n[n-]nc2c1)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000171539581 495919801 /nfs/dbraw/zinc/91/98/01/495919801.db2.gz RMVFORVZNJBFER-QGZVFWFLSA-N -1 3 374.404 3.375 20 0 FGADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N3CCCC[C@H]3C)cs2)c1 ZINC000183304277 495922835 /nfs/dbraw/zinc/92/28/35/495922835.db2.gz HGOXAXJRDJEZJT-CYBMUJFWSA-N -1 3 373.478 3.353 20 0 FGADHM C[C@@H]1CCN(C(=O)c2cccc(N3CCCNC3=O)c2)c2c([O-])cccc21 ZINC000186284117 495928118 /nfs/dbraw/zinc/92/81/18/495928118.db2.gz JSJWJOOLMIUDSC-CQSZACIVSA-N -1 3 365.433 3.466 20 0 FGADHM O=C(N[C@@H]1CCCOc2c(F)cccc21)c1c[n-]c2ccccc2c1=O ZINC000183318013 495929345 /nfs/dbraw/zinc/92/93/45/495929345.db2.gz FKSTXIFYDAOCFD-QGZVFWFLSA-N -1 3 352.365 3.311 20 0 FGADHM C[C@H]1CCN(C(=O)[C@@H]2CN(Cc3ccccc3)CCO2)c2c([O-])cccc21 ZINC000186294510 495933108 /nfs/dbraw/zinc/93/31/08/495933108.db2.gz OFZWQMPBJNURMI-JXFKEZNVSA-N -1 3 366.461 3.133 20 0 FGADHM CCNc1nc(C(=O)[N-]c2nc(-c3cccc(OC)c3)ns2)cs1 ZINC000177148873 495949188 /nfs/dbraw/zinc/94/91/88/495949188.db2.gz YEZCQMPZDXJOFK-UHFFFAOYSA-N -1 3 361.452 3.354 20 0 FGADHM O=C(N[C@H](CN1CCCC1)c1ccccc1)c1cc(F)c(F)c([O-])c1F ZINC000183366339 495949581 /nfs/dbraw/zinc/94/95/81/495949581.db2.gz CMGRWELQHQJDTI-OAHLLOKOSA-N -1 3 364.367 3.376 20 0 FGADHM CC(C)(C)C(=O)NC[C@H]1CCCN(C(=O)c2ccc3c(c2[O-])CCCC3)C1 ZINC000186334110 495953294 /nfs/dbraw/zinc/95/32/94/495953294.db2.gz VIXBTFRGGOQAMG-OAHLLOKOSA-N -1 3 372.509 3.286 20 0 FGADHM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(Cl)c2)c(F)c1 ZINC000171639265 495959648 /nfs/dbraw/zinc/95/96/48/495959648.db2.gz BIOFWBAIYMJHBJ-UHFFFAOYSA-N -1 3 357.790 3.375 20 0 FGADHM O=C([N-]c1nccs1)c1nccnc1C(=O)Nc1ccc(Cl)cc1 ZINC000174465534 495971337 /nfs/dbraw/zinc/97/13/37/495971337.db2.gz KOGWJFZEGPXEFI-UHFFFAOYSA-N -1 3 359.798 3.091 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)Cc1cc(Cl)cc(Cl)c1)C(=O)OC(C)(C)C ZINC000151882650 495980374 /nfs/dbraw/zinc/98/03/74/495980374.db2.gz YTGVVNXDWDLZMD-SECBINFHSA-N -1 3 368.282 3.143 20 0 FGADHM C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000183441665 495985100 /nfs/dbraw/zinc/98/51/00/495985100.db2.gz ZMAINAHCQNLIIB-SSDOTTSWSA-N -1 3 360.723 3.325 20 0 FGADHM C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000183441665 495985105 /nfs/dbraw/zinc/98/51/05/495985105.db2.gz ZMAINAHCQNLIIB-SSDOTTSWSA-N -1 3 360.723 3.325 20 0 FGADHM COC(=O)c1coc(C(=O)[N-]c2nc(CN3CCC(C)CC3)cs2)c1 ZINC000183442108 495985359 /nfs/dbraw/zinc/98/53/59/495985359.db2.gz FFQXOPONWMYJKL-UHFFFAOYSA-N -1 3 363.439 3.007 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N([C@@H](C)c2ccco2)C2CC2)c([O-])c1 ZINC000183469699 495998497 /nfs/dbraw/zinc/99/84/97/495998497.db2.gz HPKAAMRJOUSTDY-AWEZNQCLSA-N -1 3 356.422 3.166 20 0 FGADHM O=S(=O)(Cc1ccccc1F)[N-][C@H](c1nccs1)c1ccccc1 ZINC000171713012 496002426 /nfs/dbraw/zinc/00/24/26/496002426.db2.gz GVZRDCYCNOFTDI-INIZCTEOSA-N -1 3 362.451 3.491 20 0 FGADHM Cc1nc(C)c(CCC(=O)N[C@H](C)c2cc3ccccc3s2)c(=O)[n-]1 ZINC000171723157 496008395 /nfs/dbraw/zinc/00/83/95/496008395.db2.gz ADGBYJUYXOBEME-GFCCVEGCSA-N -1 3 355.463 3.411 20 0 FGADHM CC[C@@H](C)N(C)C(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000183528982 496020834 /nfs/dbraw/zinc/02/08/34/496020834.db2.gz CDDODWVAMOVMSN-GFCCVEGCSA-N -1 3 361.467 3.209 20 0 FGADHM Cc1nc(C)c(CCC(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[C@@H]2C)c(=O)[n-]1 ZINC000174642394 496043796 /nfs/dbraw/zinc/04/37/96/496043796.db2.gz GZVGERIBNBZDQI-OWOPXTPDSA-N -1 3 373.884 3.486 20 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/nfs/dbraw/zinc/18/22/98/498182298.db2.gz UPYPQIDSUDPNHA-CMPLNLGQSA-N -1 3 372.537 3.131 20 0 FGADHM Cc1ccc(NC([O-])=NOC/C=C/Cl)cc1C(=O)N1CCCCC1 ZINC000289542739 498187197 /nfs/dbraw/zinc/18/71/97/498187197.db2.gz BSDPKPFPNQIBHQ-VMPITWQZSA-N -1 3 351.834 3.427 20 0 FGADHM Cc1ccc(NC(=O)[N-]OC/C=C/Cl)cc1C(=O)N1CCCCC1 ZINC000289542739 498187202 /nfs/dbraw/zinc/18/72/02/498187202.db2.gz BSDPKPFPNQIBHQ-VMPITWQZSA-N -1 3 351.834 3.427 20 0 FGADHM Cc1c(Cl)cccc1S(=O)(=O)[N-]C1(C(F)(F)F)CCOCC1 ZINC000330770180 498190097 /nfs/dbraw/zinc/19/00/97/498190097.db2.gz NNRMCOKKCTWBIJ-UHFFFAOYSA-N -1 3 357.781 3.038 20 0 FGADHM CC(=O)c1cccc(CN2CCC(C(=O)Nc3ccccc3[O-])CC2)c1 ZINC000296776275 498191571 /nfs/dbraw/zinc/19/15/71/498191571.db2.gz NBDJFJXPFKGEEE-UHFFFAOYSA-N -1 3 352.434 3.446 20 0 FGADHM O=C(N[C@@H]1CC[C@@H](c2cccc(Cl)c2)C1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000581472951 505996233 /nfs/dbraw/zinc/99/62/33/505996233.db2.gz MOXKTTCROJRJQD-IUODEOHRSA-N -1 3 368.820 3.290 20 0 FGADHM C[C@H]1CN(c2c(C(=O)[O-])cnc3ccccc32)CCN1CC(F)(F)F ZINC000575753369 505996513 /nfs/dbraw/zinc/99/65/13/505996513.db2.gz YTGBPKMPTYLBHT-NSHDSACASA-N -1 3 353.344 3.006 20 0 FGADHM C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)C[C@@H]1C ZINC000330853002 498206385 /nfs/dbraw/zinc/20/63/85/498206385.db2.gz OCYLUWFLXHSPTN-MDZLAQPJSA-N -1 3 374.890 3.357 20 0 FGADHM CCc1cc(=O)[n-]c(CSCc2cccc(N(CC)CCOC)n2)n1 ZINC000578688202 505997198 /nfs/dbraw/zinc/99/71/98/505997198.db2.gz JXIOFDLKVGDXLR-UHFFFAOYSA-N -1 3 362.499 3.046 20 0 FGADHM Cc1ccsc1[C@H]1C[C@@H]1C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000281619222 498215784 /nfs/dbraw/zinc/21/57/84/498215784.db2.gz FRMZVMARMGJZNQ-STQMWFEESA-N -1 3 374.428 3.077 20 0 FGADHM Cc1cn(-c2ccc(Cl)cc2)nc1-n1c([O-])c(CC(F)(F)F)[nH]c1=O ZINC000285862476 498223446 /nfs/dbraw/zinc/22/34/46/498223446.db2.gz AJQRTIVVOZCWNZ-NSHDSACASA-N -1 3 372.734 3.211 20 0 FGADHM CC(C)c1nc(C2CCN(C(=O)NCc3ccc([O-])c(F)c3)CC2)no1 ZINC000293036905 498245344 /nfs/dbraw/zinc/24/53/44/498245344.db2.gz PTHUDJRFLAKOTE-UHFFFAOYSA-N -1 3 362.405 3.127 20 0 FGADHM CCc1cccc(C(=O)N2CC[C@@]3(C2)CC(=O)c2ccccc2O3)c1[O-] ZINC000572581299 506003026 /nfs/dbraw/zinc/00/30/26/506003026.db2.gz GWRUPQKUBUFUCM-NRFANRHFSA-N -1 3 351.402 3.205 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)c1ccc2c(c1)C(=O)CCC2)c1nc(C)cs1 ZINC000289690928 498249224 /nfs/dbraw/zinc/24/92/24/498249224.db2.gz GXNXDTYQIISICK-HNNXBMFYSA-N -1 3 364.492 3.400 20 0 FGADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCO[C@@]2(CCCOC2)C1 ZINC000285953443 498251048 /nfs/dbraw/zinc/25/10/48/498251048.db2.gz NQUKGUOZRFDLKR-NRFANRHFSA-N -1 3 369.417 3.206 20 0 FGADHM [O-]C(=NOCc1ccc(F)cc1)Nc1ncc(C2CCOCC2)s1 ZINC000296924860 498253637 /nfs/dbraw/zinc/25/36/37/498253637.db2.gz CJJYGOYLAIQIQP-UHFFFAOYSA-N -1 3 351.403 3.430 20 0 FGADHM O=C([N-]OCc1ccc(F)cc1)Nc1ncc(C2CCOCC2)s1 ZINC000296924860 498253645 /nfs/dbraw/zinc/25/36/45/498253645.db2.gz CJJYGOYLAIQIQP-UHFFFAOYSA-N -1 3 351.403 3.430 20 0 FGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)[C@H]1C2CCC(CC2)[C@@H]1C(F)(F)F ZINC000572595208 506007177 /nfs/dbraw/zinc/00/71/77/506007177.db2.gz ZQWBMIMFKOYGHA-FMPDERDJSA-N -1 3 365.359 3.420 20 0 FGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)[C@H]1C2CCC(CC2)[C@@H]1C(F)(F)F ZINC000572595208 506007179 /nfs/dbraw/zinc/00/71/79/506007179.db2.gz ZQWBMIMFKOYGHA-FMPDERDJSA-N -1 3 365.359 3.420 20 0 FGADHM COC(=O)c1ccc(C(=O)Nc2ccc(C)c(OCC3CCOCC3)c2)[n-]1 ZINC000293106939 498271221 /nfs/dbraw/zinc/27/12/21/498271221.db2.gz GNAGCMQKXDKHBQ-UHFFFAOYSA-N -1 3 372.421 3.167 20 0 FGADHM COc1cc(C(=O)N2CCN(CCC(C)(C)C)CC2)cc(Cl)c1[O-] ZINC000331306861 498298111 /nfs/dbraw/zinc/29/81/11/498298111.db2.gz ZVMSRFUBGATPRG-UHFFFAOYSA-N -1 3 354.878 3.248 20 0 FGADHM CN([C@@H]1CCO[C@@H](c2ccc(F)cc2)C1)S(=O)(=O)c1ccc([O-])cc1 ZINC000581544610 506012461 /nfs/dbraw/zinc/01/24/61/506012461.db2.gz FBBIOTAISYIBBS-CRAIPNDOSA-N -1 3 365.426 3.072 20 0 FGADHM CO[C@@H](C)CS(=O)(=O)[N-]Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000281903376 498312044 /nfs/dbraw/zinc/31/20/44/498312044.db2.gz ZHFJGAJJBLEPMO-NSHDSACASA-N -1 3 366.464 3.011 20 0 FGADHM CN1C(=O)C[C@H]([N-]c2nnc(C(F)F)o2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000293306955 498339192 /nfs/dbraw/zinc/33/91/92/498339192.db2.gz ZASYXKBYBVGDEG-ONGXEEELSA-N -1 3 360.723 3.184 20 0 FGADHM Cn1cc(-c2nc(-c3ccc([O-])c4ccccc34)no2)c([C@@H]2CCOC2)n1 ZINC000293351718 498356022 /nfs/dbraw/zinc/35/60/22/498356022.db2.gz FUCWTWHOENTGHN-GFCCVEGCSA-N -1 3 362.389 3.500 20 0 FGADHM [O-]c1ccc(F)c(CNc2nc3cc(Br)ccc3[nH]2)c1F ZINC000572656829 506022616 /nfs/dbraw/zinc/02/26/16/506022616.db2.gz USUQMNGQQUWKNV-UHFFFAOYSA-N -1 3 354.154 3.343 20 0 FGADHM [O-]c1ccc(F)c(CNc2nc3ccc(Br)cc3[nH]2)c1F ZINC000572656829 506022618 /nfs/dbraw/zinc/02/26/18/506022618.db2.gz USUQMNGQQUWKNV-UHFFFAOYSA-N -1 3 354.154 3.343 20 0 FGADHM CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3CN2Cc1cc(=O)oc2cc([O-])c(Cl)cc12 ZINC000286366884 498378112 /nfs/dbraw/zinc/37/81/12/498378112.db2.gz GEAMFXYJJUBCAJ-RHNPSTNYSA-N -1 3 361.825 3.007 20 0 FGADHM C[C@H]1CCN(C(=O)N=c2cc(OC(F)F)n(C)[n-]2)[C@H]1c1cccc(F)c1 ZINC000331576530 498379215 /nfs/dbraw/zinc/37/92/15/498379215.db2.gz RNALQKGGAJTAGF-ZUZCIYMTSA-N -1 3 368.359 3.198 20 0 FGADHM CO[C@@H](C)CS(=O)(=O)[N-]c1cccc(C(=O)Nc2ccccc2)c1C ZINC000282134078 498395225 /nfs/dbraw/zinc/39/52/25/498395225.db2.gz CURFOQFVOFNSIG-ZDUSSCGKSA-N -1 3 362.451 3.024 20 0 FGADHM Cn1c2ccc(-c3nc(-c4ccc5n[n-]nc5c4)no3)cc2nc1C(F)F ZINC000572695688 506030722 /nfs/dbraw/zinc/03/07/22/506030722.db2.gz WXHGQDVREZQIGK-UHFFFAOYSA-N -1 3 367.319 3.499 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N[C@@H]3CCCC34CCOCC4)c[n-]c12 ZINC000282272819 498448231 /nfs/dbraw/zinc/44/82/31/498448231.db2.gz SRZVVXHAIPWIRJ-MRXNPFEDSA-N -1 3 358.413 3.467 20 0 FGADHM O=C(c1cc(F)cc2[n-]nnc21)N1CCC(Cc2c(F)cccc2F)CC1 ZINC000581651435 506037337 /nfs/dbraw/zinc/03/73/37/506037337.db2.gz VIQKOSOOZIPAOV-UHFFFAOYSA-N -1 3 374.366 3.470 20 0 FGADHM O=C(c1cc(F)cc2nn[n-]c21)N1CCC(Cc2c(F)cccc2F)CC1 ZINC000581651435 506037338 /nfs/dbraw/zinc/03/73/38/506037338.db2.gz VIQKOSOOZIPAOV-UHFFFAOYSA-N -1 3 374.366 3.470 20 0 FGADHM O=C(c1cc(F)cc2n[n-]nc21)N1CCC(Cc2c(F)cccc2F)CC1 ZINC000581651435 506037340 /nfs/dbraw/zinc/03/73/40/506037340.db2.gz VIQKOSOOZIPAOV-UHFFFAOYSA-N -1 3 374.366 3.470 20 0 FGADHM COC[C@H](NC(=O)c1cc(Oc2ccccc2)ccc1[O-])[C@H]1CCCO1 ZINC000569897941 506041710 /nfs/dbraw/zinc/04/17/10/506041710.db2.gz OVMFOERNIFPBCJ-PKOBYXMFSA-N -1 3 357.406 3.108 20 0 FGADHM COC[C@@H](NC(=O)c1cc(Oc2ccccc2)ccc1[O-])[C@@H]1CCCO1 ZINC000569897940 506041985 /nfs/dbraw/zinc/04/19/85/506041985.db2.gz OVMFOERNIFPBCJ-MJGOQNOKSA-N -1 3 357.406 3.108 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCCC[C@H]2c2nc(C)cs2)c1 ZINC000331927983 498502735 /nfs/dbraw/zinc/50/27/35/498502735.db2.gz PHNYRDMUBMHOTB-HNNXBMFYSA-N -1 3 359.451 3.483 20 0 FGADHM O=C(N[C@@H]1CCO[C@@]2(CCOC2)C1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000362362177 498503900 /nfs/dbraw/zinc/50/39/00/498503900.db2.gz TYCCOIRTALPDCT-VFNWGFHPSA-N -1 3 369.417 3.252 20 0 FGADHM O=C([N-]C[C@@H]1CCCN(C(=O)c2csc3ccccc23)C1)C(F)(F)F ZINC000290330813 498511411 /nfs/dbraw/zinc/51/14/11/498511411.db2.gz JKOJFDPZDOOFDB-NSHDSACASA-N -1 3 370.396 3.432 20 0 FGADHM CCN(CC)[C@H](C[N-]S(=O)(=O)c1ccccc1F)c1ccccc1 ZINC000302599433 498515399 /nfs/dbraw/zinc/51/53/99/498515399.db2.gz WXXQZPOPCUEUJU-QGZVFWFLSA-N -1 3 350.459 3.187 20 0 FGADHM COc1cc(C(=O)NC2(Cc3cccc(F)c3)CCOCC2)ccc1[O-] ZINC000293905439 498529383 /nfs/dbraw/zinc/52/93/83/498529383.db2.gz KODCYDPPLSPDOY-UHFFFAOYSA-N -1 3 359.397 3.062 20 0 FGADHM O=S(=O)(C[C@@H]1CCCC1(F)F)[N-]Cc1ncc(-c2ccccc2)o1 ZINC000581707607 506049270 /nfs/dbraw/zinc/04/92/70/506049270.db2.gz HLHNILNGSXUSPM-ZDUSSCGKSA-N -1 3 356.394 3.196 20 0 FGADHM O=C([N-]C[C@@H]1CCCN(C(=O)c2cccc(C3CCC3)c2)C1)C(F)(F)F ZINC000290422055 498546237 /nfs/dbraw/zinc/54/62/37/498546237.db2.gz RTTMSNYKUCXSST-ZDUSSCGKSA-N -1 3 368.399 3.485 20 0 FGADHM O=C(C[C@H]1CCCCCN1C(=O)c1cc(F)cc2[n-]nnc21)c1ccco1 ZINC000282535966 498548861 /nfs/dbraw/zinc/54/88/61/498548861.db2.gz QONOKLSTENAFSE-CYBMUJFWSA-N -1 3 370.384 3.348 20 0 FGADHM O=C(C[C@H]1CCCCCN1C(=O)c1cc(F)cc2nn[n-]c21)c1ccco1 ZINC000282535966 498548866 /nfs/dbraw/zinc/54/88/66/498548866.db2.gz QONOKLSTENAFSE-CYBMUJFWSA-N -1 3 370.384 3.348 20 0 FGADHM O=C(C[C@H]1CCCCCN1C(=O)c1cc(F)cc2n[n-]nc21)c1ccco1 ZINC000282535966 498548871 /nfs/dbraw/zinc/54/88/71/498548871.db2.gz QONOKLSTENAFSE-CYBMUJFWSA-N -1 3 370.384 3.348 20 0 FGADHM O=C(CNC(=O)c1cccc([O-])c1)N1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000282548564 498554774 /nfs/dbraw/zinc/55/47/74/498554774.db2.gz SFUJWWPFIHMVJA-REPLKXPHSA-N -1 3 364.445 3.059 20 0 FGADHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)CCC(=O)OC(C)(C)C)c2)n1 ZINC000365608480 498555532 /nfs/dbraw/zinc/55/55/32/498555532.db2.gz KSTUMTCZLQEVPM-UHFFFAOYSA-N -1 3 357.410 3.218 20 0 FGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)NCCC(C)(C)C1CC1 ZINC000294005463 498558549 /nfs/dbraw/zinc/55/85/49/498558549.db2.gz AWIFTEBHBQQWNY-UHFFFAOYSA-N -1 3 368.481 3.428 20 0 FGADHM Cn1cc([C@H](NC(=O)c2ccc3c(c2[O-])CCCC3)C(F)(F)F)cn1 ZINC000332164483 498584397 /nfs/dbraw/zinc/58/43/97/498584397.db2.gz WIEKNBZZKNIIOU-HNNXBMFYSA-N -1 3 353.344 3.038 20 0 FGADHM CN(C(=O)c1cccc2[n-]nnc21)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000578950951 506058275 /nfs/dbraw/zinc/05/82/75/506058275.db2.gz YNONLECFRKWCAW-IAGOWNOFSA-N -1 3 350.422 3.276 20 0 FGADHM CN(C(=O)c1cccc2nn[n-]c21)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000578950951 506058279 /nfs/dbraw/zinc/05/82/79/506058279.db2.gz YNONLECFRKWCAW-IAGOWNOFSA-N -1 3 350.422 3.276 20 0 FGADHM CN(C(=O)c1cccc2n[n-]nc21)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000578950951 506058281 /nfs/dbraw/zinc/05/82/81/506058281.db2.gz YNONLECFRKWCAW-IAGOWNOFSA-N -1 3 350.422 3.276 20 0 FGADHM COCCCON=C([O-])Nc1ccnn1Cc1c(Cl)cccc1Cl ZINC000287010467 498589512 /nfs/dbraw/zinc/58/95/12/498589512.db2.gz DRFJOPPROXCVPD-UHFFFAOYSA-N -1 3 373.240 3.328 20 0 FGADHM COCCCO[N-]C(=O)Nc1ccnn1Cc1c(Cl)cccc1Cl ZINC000287010467 498589518 /nfs/dbraw/zinc/58/95/18/498589518.db2.gz DRFJOPPROXCVPD-UHFFFAOYSA-N -1 3 373.240 3.328 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)c1ccc2c(c1)C(=O)CCC2)c1nccs1 ZINC000576032001 506060092 /nfs/dbraw/zinc/06/00/92/506060092.db2.gz ZLNAKBFTSAHVMV-AWEZNQCLSA-N -1 3 350.465 3.092 20 0 FGADHM Cc1nc(C)c(CCC(=O)N2C[C@H]3CCCCN3c3ccccc32)c(=O)[n-]1 ZINC000297888351 498599638 /nfs/dbraw/zinc/59/96/38/498599638.db2.gz VQGJLTLMFWXCLZ-MRXNPFEDSA-N -1 3 366.465 3.137 20 0 FGADHM CCOC(=O)C1CCN(C(=O)CCc2ccc3ccccc3c2[O-])CC1 ZINC000294157703 498605543 /nfs/dbraw/zinc/60/55/43/498605543.db2.gz AVCNGAJCVWREKP-UHFFFAOYSA-N -1 3 355.434 3.280 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H](c3nc(C)c(C)s3)C2)c1 ZINC000332241662 498614827 /nfs/dbraw/zinc/61/48/27/498614827.db2.gz AKUXHLCIXVWZKI-AWEZNQCLSA-N -1 3 373.478 3.444 20 0 FGADHM C[C@H]1Cc2ccccc2[C@@H]1[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000332247974 498617233 /nfs/dbraw/zinc/61/72/33/498617233.db2.gz BDQVJMYQVVVSNK-ZUZCIYMTSA-N -1 3 356.369 3.312 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1c(F)cccc1Br ZINC000363044346 498620540 /nfs/dbraw/zinc/62/05/40/498620540.db2.gz OYIRIWFHPORQAY-UHFFFAOYSA-N -1 3 362.162 3.021 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1c(F)cccc1Br ZINC000363044346 498620546 /nfs/dbraw/zinc/62/05/46/498620546.db2.gz OYIRIWFHPORQAY-UHFFFAOYSA-N -1 3 362.162 3.021 20 0 FGADHM Cc1ccc([C@H]2CSCCN2C(=O)c2c[n-]c3ccccc3c2=O)o1 ZINC000365765401 498630370 /nfs/dbraw/zinc/63/03/70/498630370.db2.gz PNPCFWZWZKIHHF-MRXNPFEDSA-N -1 3 354.431 3.360 20 0 FGADHM COc1ccc(NC(=O)c2cccc(C)c2[O-])cc1N1CCCCC1=O ZINC000302956051 498632929 /nfs/dbraw/zinc/63/29/29/498632929.db2.gz PCLKGNHLOLLRFN-UHFFFAOYSA-N -1 3 354.406 3.478 20 0 FGADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000363070876 498634494 /nfs/dbraw/zinc/63/44/94/498634494.db2.gz AEYLGHBKUNHOLW-KRWDZBQOSA-N -1 3 362.385 3.234 20 0 FGADHM Cc1oc2ncn(C)c(=O)c2c1C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000332311462 498645370 /nfs/dbraw/zinc/64/53/70/498645370.db2.gz XNDNWJVWKVZGJU-UHFFFAOYSA-N -1 3 355.394 3.090 20 0 FGADHM O=S(=O)(Cc1c(Cl)cccc1Cl)[N-]c1cnc2c(c1)COCC2 ZINC000365798430 498646150 /nfs/dbraw/zinc/64/61/50/498646150.db2.gz USAJGJHLZDVWBQ-UHFFFAOYSA-N -1 3 373.261 3.403 20 0 FGADHM O=C1Cc2cc(S(=O)(=O)[N-]c3ccccc3Cl)c(Cl)cc2N1 ZINC000303168757 498652310 /nfs/dbraw/zinc/65/23/10/498652310.db2.gz QTCYGBKCCMKAIX-UHFFFAOYSA-N -1 3 357.218 3.289 20 0 FGADHM C[C@H]1CCCc2nc(S(=O)(=O)[N-][C@H]3C[C@H](c4ccccc4F)C3)cn21 ZINC000572855323 506068705 /nfs/dbraw/zinc/06/87/05/506068705.db2.gz JPUBMMAMPOQMCA-IHRRRGAJSA-N -1 3 363.458 3.144 20 0 FGADHM O=S(=O)([N-][C@H]1CCCc2ccccc21)c1cccnc1C(F)(F)F ZINC000332337618 498654733 /nfs/dbraw/zinc/65/47/33/498654733.db2.gz LCBLCIGGXQDCTC-ZDUSSCGKSA-N -1 3 356.369 3.456 20 0 FGADHM [O-]c1cccc(CNC[C@H](c2cccs2)N2CCOCC2)c1Cl ZINC000294326220 498658238 /nfs/dbraw/zinc/65/82/38/498658238.db2.gz YEYQMSBAGKJXEP-CQSZACIVSA-N -1 3 352.887 3.270 20 0 FGADHM COc1cc(C)cc2c1OCC[C@H]2NC(=O)c1c[n-]c2ccccc2c1=O ZINC000363118826 498659057 /nfs/dbraw/zinc/65/90/57/498659057.db2.gz DMABTPGWDBZPBP-QGZVFWFLSA-N -1 3 364.401 3.099 20 0 FGADHM O=C(Cc1ccc([O-])cc1Cl)N1C[C@@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000572861001 506069900 /nfs/dbraw/zinc/06/99/00/506069900.db2.gz DDYXFEUVCHJRPD-HOTGVXAUSA-N -1 3 356.853 3.183 20 0 FGADHM COc1cccc2c1n[n-]c2C(=O)Nc1c(-c2ccc(F)cc2)ncn1C ZINC000365876427 498683702 /nfs/dbraw/zinc/68/37/02/498683702.db2.gz IOQBSFXGTWORFM-UHFFFAOYSA-N -1 3 365.368 3.363 20 0 FGADHM COc1cccc2c(C(=O)Nc3c(-c4ccc(F)cc4)ncn3C)n[n-]c21 ZINC000365876427 498683707 /nfs/dbraw/zinc/68/37/07/498683707.db2.gz IOQBSFXGTWORFM-UHFFFAOYSA-N -1 3 365.368 3.363 20 0 FGADHM CCc1cc(C(=O)N2CCC[C@H](C(=O)Nc3ncccc3C)C2)ccc1[O-] ZINC000365880210 498684812 /nfs/dbraw/zinc/68/48/12/498684812.db2.gz DKRVOIBWWKOZBC-KRWDZBQOSA-N -1 3 367.449 3.149 20 0 FGADHM C[C@@H](CCO)C1(C[N-]S(=O)(=O)c2ccc(Cl)cc2Cl)CCC1 ZINC000332484913 498701458 /nfs/dbraw/zinc/70/14/58/498701458.db2.gz QZAVUCMLUYZKMC-NSHDSACASA-N -1 3 366.310 3.461 20 0 FGADHM Cc1ccc(Cc2nnc([N-]C(=O)c3cnc(C4CC4)nc3)s2)cc1 ZINC000294478715 498704530 /nfs/dbraw/zinc/70/45/30/498704530.db2.gz DGHUNTRCPCPMEO-UHFFFAOYSA-N -1 3 351.435 3.357 20 0 FGADHM CCOCCOc1ccc(Cl)cc1[N-]C(=O)c1cc(OCC)no1 ZINC000294500615 498710514 /nfs/dbraw/zinc/71/05/14/498710514.db2.gz GYSLNLUERHFSDU-UHFFFAOYSA-N -1 3 354.790 3.394 20 0 FGADHM O=C(NCc1coc(-c2cccs2)n1)c1c[n-]nc1-c1ccccn1 ZINC000579044036 506081291 /nfs/dbraw/zinc/08/12/91/506081291.db2.gz QMJLXKFMHSPACM-UHFFFAOYSA-N -1 3 351.391 3.118 20 0 FGADHM CC(C)NC(=O)[C@@H]1CCC[C@@H](NC(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000332602130 498738227 /nfs/dbraw/zinc/73/82/27/498738227.db2.gz MUEKZBRZBLRLSZ-NVXWUHKLSA-N -1 3 354.450 3.359 20 0 FGADHM CCc1cc(C(=O)NC2CCN(C(=O)Nc3ccccc3)CC2)ccc1[O-] ZINC000366045070 498747160 /nfs/dbraw/zinc/74/71/60/498747160.db2.gz FVDBGRJOEAXFQJ-UHFFFAOYSA-N -1 3 367.449 3.381 20 0 FGADHM O=C(COc1c(Cl)cc(Cl)cc1Cl)[N-]N1CCCCC1=O ZINC000294623628 498752598 /nfs/dbraw/zinc/75/25/98/498752598.db2.gz RRGDDYQASBKYAF-UHFFFAOYSA-N -1 3 351.617 3.069 20 0 FGADHM CN(C)CCc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)CCC2 ZINC000291023596 498761474 /nfs/dbraw/zinc/76/14/74/498761474.db2.gz YAXNZXKGFZIVTG-UHFFFAOYSA-N -1 3 372.490 3.111 20 0 FGADHM CCN(Cc1nc(=O)c2sc(-c3ccc(OC)cc3)cc2[n-]1)[C@@H](C)CO ZINC000298465234 498779969 /nfs/dbraw/zinc/77/99/69/498779969.db2.gz RYZOATLEQWESLC-LBPRGKRZSA-N -1 3 373.478 3.275 20 0 FGADHM CC(C)OCc1nc([C@@H](C)NC(=O)c2cc([O-])ccc2C(F)(F)F)no1 ZINC000291111816 498799831 /nfs/dbraw/zinc/79/98/31/498799831.db2.gz BVVGSOHRGJIIRS-SECBINFHSA-N -1 3 373.331 3.210 20 0 FGADHM CS[C@@H](C(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1)c1ccccc1 ZINC000291131920 498809103 /nfs/dbraw/zinc/80/91/03/498809103.db2.gz OGPKDEOCERJZBW-GXTWGEPZSA-N -1 3 374.428 3.008 20 0 FGADHM Cc1cc(C)c2[n-]cc(C(=O)N3CC(C)(C)[C@@H]3[C@H]3CCCO3)c(=O)c2c1 ZINC000332847846 498812717 /nfs/dbraw/zinc/81/27/17/498812717.db2.gz ITEFIIUXDOBZRY-APWZRJJASA-N -1 3 354.450 3.175 20 0 FGADHM Cc1c(-c2ccncc2)[n-][nH]c1=NC(=O)c1cnn(-c2ccccc2C)c1C ZINC000363462424 498833745 /nfs/dbraw/zinc/83/37/45/498833745.db2.gz MUXTWJZQYXOYHL-UHFFFAOYSA-N -1 3 372.432 3.257 20 0 FGADHM CCOc1ccccc1C(F)(F)C(=O)[N-]Cc1csc(COC)n1 ZINC000291186215 498834032 /nfs/dbraw/zinc/83/40/32/498834032.db2.gz SXOVTQNZDTXYSC-UHFFFAOYSA-N -1 3 356.394 3.096 20 0 FGADHM O=C(Nc1cc(CSCCO)ccn1)c1cc([O-])ccc1C(F)(F)F ZINC000283291549 498841603 /nfs/dbraw/zinc/84/16/03/498841603.db2.gz OIYJLTWPWXPVDX-UHFFFAOYSA-N -1 3 372.368 3.284 20 0 FGADHM Cc1nc2ccc(S(=O)(=O)[N-]c3ccccc3-c3nnc[nH]3)cc2s1 ZINC000366285450 498857993 /nfs/dbraw/zinc/85/79/93/498857993.db2.gz LOMDTBVCROYXBG-UHFFFAOYSA-N -1 3 371.447 3.191 20 0 FGADHM COC(=O)c1cc([N-]S(=O)(=O)c2c(C)cc(F)cc2C)c(F)cc1F ZINC000327967170 498865191 /nfs/dbraw/zinc/86/51/91/498865191.db2.gz WRYMQZVNLLYNSG-UHFFFAOYSA-N -1 3 373.352 3.308 20 0 FGADHM C[C@@H](NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2)c1ccc2c(c1)CC(=O)N2 ZINC000333009438 498867062 /nfs/dbraw/zinc/86/70/62/498867062.db2.gz AVYWMVPYZPJCEL-LLVKDONJSA-N -1 3 366.417 3.091 20 0 FGADHM COc1cccc(C(=O)N2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)c1[O-] ZINC000287808992 498869518 /nfs/dbraw/zinc/86/95/18/498869518.db2.gz JPYUVEBZXQAXAM-KZNAEPCWSA-N -1 3 353.418 3.046 20 0 FGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@H]3CC34CCOCC4)s2)cs1 ZINC000333023589 498872910 /nfs/dbraw/zinc/87/29/10/498872910.db2.gz ABZGTGUMWWXBMI-ZDUSSCGKSA-N -1 3 370.521 3.027 20 0 FGADHM O=S(=O)([N-]CC(F)(F)c1ccccc1)c1c[nH]c2nccc(Cl)c12 ZINC000573048171 506104962 /nfs/dbraw/zinc/10/49/62/506104962.db2.gz RSEVBJGIVCLLTG-UHFFFAOYSA-N -1 3 371.796 3.287 20 0 FGADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCC(F)(F)[C@@H](CO)C1 ZINC000291343614 498903455 /nfs/dbraw/zinc/90/34/55/498903455.db2.gz VMYLVATVUYKPTN-MRXNPFEDSA-N -1 3 361.388 3.073 20 0 FGADHM O=c1[n-]c(CN2CC[C@H](C3CCOCC3)C2)nc2c3ccccc3oc21 ZINC000328722597 498914827 /nfs/dbraw/zinc/91/48/27/498914827.db2.gz AEGOAHQACRHOLH-AWEZNQCLSA-N -1 3 353.422 3.330 20 0 FGADHM COc1cc2c(cc1F)[n-]cc(C(=O)NC[C@@H]1CCC[C@H]1C1CC1)c2=O ZINC000573069994 506111438 /nfs/dbraw/zinc/11/14/38/506111438.db2.gz BGTMMPSMHRIVQM-STQMWFEESA-N -1 3 358.413 3.232 20 0 FGADHM O=C([N-]CC1CCN(C(=O)c2cccc3c2CCCC3)CC1)C(F)(F)F ZINC000295143084 498923451 /nfs/dbraw/zinc/92/34/51/498923451.db2.gz MPSOAKBKVKNHCL-UHFFFAOYSA-N -1 3 368.399 3.096 20 0 FGADHM CCOc1nc2cc(C(=O)N3CCO[C@@H](c4ccccc4)C3)ccc2[n-]1 ZINC000576245090 506112214 /nfs/dbraw/zinc/11/22/14/506112214.db2.gz MPYWJRAZIOCWOZ-GOSISDBHSA-N -1 3 351.406 3.175 20 0 FGADHM CCOc1nc2ccc(C(=O)N3CCO[C@@H](c4ccccc4)C3)cc2[n-]1 ZINC000576245090 506112217 /nfs/dbraw/zinc/11/22/17/506112217.db2.gz MPYWJRAZIOCWOZ-GOSISDBHSA-N -1 3 351.406 3.175 20 0 FGADHM CO[C@@H](CS(=O)(=O)[N-]c1ccc(C)c(NC(C)=O)c1)c1ccccc1 ZINC000295156669 498928209 /nfs/dbraw/zinc/92/82/09/498928209.db2.gz GAAVUSKOZPGTTP-SFHVURJKSA-N -1 3 362.451 3.083 20 0 FGADHM CCc1cc(C(=O)N2CCC(NC(=O)Nc3ccccc3)CC2)ccc1[O-] ZINC000291409451 498928325 /nfs/dbraw/zinc/92/83/25/498928325.db2.gz CBVVQZQMCLGRFT-UHFFFAOYSA-N -1 3 367.449 3.381 20 0 FGADHM COc1ccc2c(c1)C[C@H](C)N(C(=O)c1cc(F)cc3[n-]nnc31)[C@H]2C ZINC000328784597 498937540 /nfs/dbraw/zinc/93/75/40/498937540.db2.gz KFUPVWCOJBSTOY-QWRGUYRKSA-N -1 3 354.385 3.254 20 0 FGADHM COc1ccc2c(c1)C[C@H](C)N(C(=O)c1cc(F)cc3nn[n-]c31)[C@H]2C ZINC000328784597 498937546 /nfs/dbraw/zinc/93/75/46/498937546.db2.gz KFUPVWCOJBSTOY-QWRGUYRKSA-N -1 3 354.385 3.254 20 0 FGADHM COc1ccc2c(c1)C[C@H](C)N(C(=O)c1cc(F)cc3n[n-]nc31)[C@H]2C ZINC000328784597 498937552 /nfs/dbraw/zinc/93/75/52/498937552.db2.gz KFUPVWCOJBSTOY-QWRGUYRKSA-N -1 3 354.385 3.254 20 0 FGADHM CCOc1cc(C(=O)N2CCC[C@@H](c3cc(C)[nH]n3)C2)cc(Cl)c1[O-] ZINC000283631226 498942704 /nfs/dbraw/zinc/94/27/04/498942704.db2.gz SDQVDPVAJPOCEF-GFCCVEGCSA-N -1 3 363.845 3.496 20 0 FGADHM Cc1cccc2c(=O)c(C(=O)N3CC[C@@H](n4cc(Cl)cn4)C3)c[n-]c12 ZINC000291483903 498959871 /nfs/dbraw/zinc/95/98/71/498959871.db2.gz GFXVMQPQLOOEGJ-CYBMUJFWSA-N -1 3 356.813 3.186 20 0 FGADHM CO[C@H](CS(=O)(=O)[N-]c1cccc(NC(=O)C2CC2)c1)c1ccccc1 ZINC000295289509 498967720 /nfs/dbraw/zinc/96/77/20/498967720.db2.gz LJNGEWIOKDGVNT-GOSISDBHSA-N -1 3 374.462 3.165 20 0 FGADHM COc1ccccc1[C@H](NC(=O)/C=C/c1cncc([O-])c1)c1ccco1 ZINC000366531951 498968456 /nfs/dbraw/zinc/96/84/56/498968456.db2.gz RQKRIIYCUDKVFG-IBDYFIJFSA-N -1 3 350.374 3.308 20 0 FGADHM COc1cc2c(cc1CNC[C@H](Cc1cccc(C)c1)C(=O)[O-])O[C@H](C)C2 ZINC000582051768 506122565 /nfs/dbraw/zinc/12/25/65/506122565.db2.gz FBTBWSDQAIXKKM-BEFAXECRSA-N -1 3 369.461 3.360 20 0 FGADHM C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CN1C[C@H](C(=O)[O-])CC[C@H]1C ZINC000582062647 506124621 /nfs/dbraw/zinc/12/46/21/506124621.db2.gz SQWSNNTTZWSLKZ-UMVBOHGHSA-N -1 3 352.862 3.045 20 0 FGADHM COC(=O)c1ccsc1[N-]C(=O)c1oc(COC(C)(C)C)nc1C ZINC000579236831 506126598 /nfs/dbraw/zinc/12/65/98/506126598.db2.gz KZNQSXDIXNLEEF-UHFFFAOYSA-N -1 3 352.412 3.399 20 0 FGADHM Cc1cc([N-]C(=O)[C@H](C)Nc2cccc(COCCOC(C)C)c2)on1 ZINC000299332707 499026745 /nfs/dbraw/zinc/02/67/45/499026745.db2.gz LEZKQVZQKZWHNI-HNNXBMFYSA-N -1 3 361.442 3.364 20 0 FGADHM Cc1cn2c(n1)[C@H](C[N-]S(=O)(=O)c1cccc(Cl)c1Cl)CCC2 ZINC000366699904 499038904 /nfs/dbraw/zinc/03/89/04/499038904.db2.gz HTGDEKNTBUNLPB-NSHDSACASA-N -1 3 374.293 3.354 20 0 FGADHM O=c1nc(CN2CC[C@@H](n3cccn3)C2)[n-]c2scc(-c3ccco3)c21 ZINC000291728288 499049674 /nfs/dbraw/zinc/04/96/74/499049674.db2.gz JLTVCAWGNABDSN-GFCCVEGCSA-N -1 3 367.434 3.300 20 0 FGADHM CCOC(=O)Cc1nnc([N-]C(=O)c2oc3ccccc3c2CC)s1 ZINC000295566039 499053023 /nfs/dbraw/zinc/05/30/23/499053023.db2.gz VTMXLLRBQMLOPW-UHFFFAOYSA-N -1 3 359.407 3.205 20 0 FGADHM O=S(=O)(CCC(F)(F)F)[N-]C[C@H](O)c1ccc(-c2ccccc2)cc1 ZINC000284260351 499077639 /nfs/dbraw/zinc/07/76/39/499077639.db2.gz KVAMHJUVSYHFCU-INIZCTEOSA-N -1 3 373.396 3.259 20 0 FGADHM COc1cc(C(=O)N2CC=C(c3cnccc3C)CC2)cc(OC)c1[O-] ZINC000363999281 499080047 /nfs/dbraw/zinc/08/00/47/499080047.db2.gz IWJFKMIQNJNYRB-UHFFFAOYSA-N -1 3 354.406 3.042 20 0 FGADHM Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1CNCCC(=O)[O-] ZINC000284364237 499095343 /nfs/dbraw/zinc/09/53/43/499095343.db2.gz WXANADPIDQMJIZ-UHFFFAOYSA-N -1 3 361.751 3.417 20 0 FGADHM O=S(=O)([N-]C1(C2CC2)CCOCC1)c1ccc(F)cc1C(F)(F)F ZINC000364068440 499106516 /nfs/dbraw/zinc/10/65/16/499106516.db2.gz SFADGARITYLDBQ-UHFFFAOYSA-N -1 3 367.364 3.082 20 0 FGADHM COc1cc(C(=O)N2CCCC[C@@H]2c2nnc([C@H]3CCCO3)o2)ccc1[O-] ZINC000291964188 499112268 /nfs/dbraw/zinc/11/22/68/499112268.db2.gz VNZUGFBBSPFZMA-UKRRQHHQSA-N -1 3 373.409 3.003 20 0 FGADHM CC(C)Oc1ccc2ccccc2c1CN1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000329424919 499119670 /nfs/dbraw/zinc/11/96/70/499119670.db2.gz IHJKATXTWSYTRA-KRWDZBQOSA-N -1 3 353.422 3.203 20 0 FGADHM Cc1cccnc1C(F)(F)C(=O)[N-][C@H](c1cnn(C)c1)c1ccccc1 ZINC000369795863 499130207 /nfs/dbraw/zinc/13/02/07/499130207.db2.gz LTJHBUZRDBUJTG-INIZCTEOSA-N -1 3 356.376 3.121 20 0 FGADHM C[C@@H]1CCC[C@@H](C)N(C(=O)NC2CCN(C(=O)c3cccc([O-])c3)CC2)C1 ZINC000369870740 499142426 /nfs/dbraw/zinc/14/24/26/499142426.db2.gz GZDQVJRWZVTOEP-HZPDHXFCSA-N -1 3 373.497 3.217 20 0 FGADHM COC(=O)[C@H]1CC[C@H](C(=O)Nc2cccc(-c3nc(C)cc(=O)[n-]3)c2)CC1 ZINC000367098927 499148240 /nfs/dbraw/zinc/14/82/40/499148240.db2.gz ITACBHYYDAVBIV-HDJSIYSDSA-N -1 3 369.421 3.076 20 0 FGADHM CC(C)c1nccn1[C@@H]1CCCN(C(=O)c2cc(=O)c3ccccc3[n-]2)C1 ZINC000369936556 499154414 /nfs/dbraw/zinc/15/44/14/499154414.db2.gz QKRLJNTWKYDYHR-OAHLLOKOSA-N -1 3 364.449 3.325 20 0 FGADHM Cc1c(-c2ccncc2)[n-][nH]c1=NC(=O)C1(Cc2ccccc2F)CC1 ZINC000372705560 499163765 /nfs/dbraw/zinc/16/37/65/499163765.db2.gz LHFSSKPHSXJNEI-UHFFFAOYSA-N -1 3 350.397 3.303 20 0 FGADHM Cc1n[n-]c(=NC[C@H]2CCCN(C)[C@@H]2c2ccc(C(F)(F)F)cc2)o1 ZINC000367328557 499182159 /nfs/dbraw/zinc/18/21/59/499182159.db2.gz ZRRBITBAPQWXJI-UKRRQHHQSA-N -1 3 354.376 3.314 20 0 FGADHM CN(C(=O)c1ccc(Cl)cc1[O-])C1CCN(CCc2ccncc2)CC1 ZINC000367525141 499208928 /nfs/dbraw/zinc/20/89/28/499208928.db2.gz RRCMHAQIDVGECR-UHFFFAOYSA-N -1 3 373.884 3.220 20 0 FGADHM CCc1cc(=O)[n-]c(CN[C@@H](C)c2ccc(-n3cc(C)cn3)c(F)c2)n1 ZINC000367634445 499220043 /nfs/dbraw/zinc/22/00/43/499220043.db2.gz OWLFSSWEILWIFL-ZDUSSCGKSA-N -1 3 355.417 3.229 20 0 FGADHM O=C(c1ccc(C(=O)N2CCC[C@]23CCOC3)cc1)c1cccc([O-])c1 ZINC000367648521 499221197 /nfs/dbraw/zinc/22/11/97/499221197.db2.gz JOBHUNPIBJNWRY-OAQYLSRUSA-N -1 3 351.402 3.018 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)c2cc(N(C)C)c3ccccc3n2)c1-c1ccncc1 ZINC000370686888 499244421 /nfs/dbraw/zinc/24/44/21/499244421.db2.gz AOJYHNSAGWVGRA-UHFFFAOYSA-N -1 3 372.432 3.069 20 0 FGADHM CC(C)c1cc(C(=O)N2CCOC[C@@H]2c2ncon2)c([O-])c(C(C)C)c1 ZINC000368033599 499257468 /nfs/dbraw/zinc/25/74/68/499257468.db2.gz GUWAXZHPWCFINF-MRXNPFEDSA-N -1 3 359.426 3.236 20 0 FGADHM COc1cccc(C(=O)N2CCC3(C[C@H]3c3nnc(C(C)C)o3)CC2)c1[O-] ZINC000370851022 499261968 /nfs/dbraw/zinc/26/19/68/499261968.db2.gz AAARHAQUMRKFSW-AWEZNQCLSA-N -1 3 371.437 3.317 20 0 FGADHM O=C(/C=C/c1cncc([O-])c1)N[C@H]1c2ccccc2CC12CCOCC2 ZINC000368140375 499268493 /nfs/dbraw/zinc/26/84/93/499268493.db2.gz KTEGCZRXKDFGFF-XJDXJNMNSA-N -1 3 350.418 3.011 20 0 FGADHM CCc1cc(C(=O)N2CCC[C@H]2c2ccc(CNC(C)=O)o2)ccc1[O-] ZINC000368276895 499280629 /nfs/dbraw/zinc/28/06/29/499280629.db2.gz OCIFUINAGBFXGO-KRWDZBQOSA-N -1 3 356.422 3.161 20 0 FGADHM CCOc1cc(C(=O)N2CCCC[C@@H]2c2n[nH]c(C)n2)cc(Cl)c1[O-] ZINC000368337774 499286624 /nfs/dbraw/zinc/28/66/24/499286624.db2.gz CVAVMMZSXJSLQW-CYBMUJFWSA-N -1 3 364.833 3.238 20 0 FGADHM C[C@H]1CCC[C@H](CC(=O)NC2CCN(C(=O)c3cccc([O-])c3)CC2)C1 ZINC000371252619 499302894 /nfs/dbraw/zinc/30/28/94/499302894.db2.gz DNQCXVIMJYFDIZ-HOTGVXAUSA-N -1 3 358.482 3.329 20 0 FGADHM Cc1cnccc1OC1CCN(Cc2nc3ccsc3c(=O)[n-]2)CC1 ZINC000368594769 499311706 /nfs/dbraw/zinc/31/17/06/499311706.db2.gz URIUVDBIIZXVAY-UHFFFAOYSA-N -1 3 356.451 3.144 20 0 FGADHM O=S(=O)([N-]C1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccco1 ZINC000368883246 499343177 /nfs/dbraw/zinc/34/31/77/499343177.db2.gz YBNTWFSEYJORIQ-UHFFFAOYSA-N -1 3 374.384 3.246 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)Cn3ncc4ccccc43)c2)n1 ZINC000369088866 499364477 /nfs/dbraw/zinc/36/44/77/499364477.db2.gz WOAYBEYVZBABCQ-UHFFFAOYSA-N -1 3 373.416 3.400 20 0 FGADHM Cc1ccc([C@@H](NCCC[N-]C(=O)C(F)(F)F)c2ccccn2)cc1 ZINC000369312352 499390529 /nfs/dbraw/zinc/39/05/29/499390529.db2.gz NVAMNYYBFOIZKK-MRXNPFEDSA-N -1 3 351.372 3.138 20 0 FGADHM O=C([O-])c1ccccc1OCCN1CCC(Sc2ccccn2)CC1 ZINC000372193294 499407408 /nfs/dbraw/zinc/40/74/08/499407408.db2.gz PHIUJUAKUMWUAU-UHFFFAOYSA-N -1 3 358.463 3.415 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCOc4c(F)cccc4C3)nc2)n1 ZINC000369631616 499428783 /nfs/dbraw/zinc/42/87/83/499428783.db2.gz PFFFDJOISVSUEJ-UHFFFAOYSA-N -1 3 366.396 3.345 20 0 FGADHM COc1cccc([C@H]2CN(C(=O)c3ccc(SC)cc3[O-])CCO2)c1 ZINC000373070603 499449892 /nfs/dbraw/zinc/44/98/92/499449892.db2.gz OXILZMCYFPJPSQ-GOSISDBHSA-N -1 3 359.447 3.336 20 0 FGADHM CCOc1cc(-c2noc([C@@H]3CC(=O)Nc4ccccc43)n2)ccc1[O-] ZINC000373214323 499457804 /nfs/dbraw/zinc/45/78/04/499457804.db2.gz FXEYEVUYEJLVGU-CYBMUJFWSA-N -1 3 351.362 3.315 20 0 FGADHM COc1cc(-c2noc([C@@H]3CCCN3C(=O)c3ccccc3)n2)ccc1[O-] ZINC000373611534 499479867 /nfs/dbraw/zinc/47/98/67/499479867.db2.gz PPHRIWVJMINMHQ-HNNXBMFYSA-N -1 3 365.389 3.428 20 0 FGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)Nc1ccsc1Cl ZINC000373677944 499483074 /nfs/dbraw/zinc/48/30/74/499483074.db2.gz AHAVSBKHFHIZOU-UHFFFAOYSA-N -1 3 360.826 3.036 20 0 FGADHM CN(C)c1noc([C@H]2CCCN(C(=O)c3cc([O-])c4ccccc4c3)C2)n1 ZINC000373695202 499483808 /nfs/dbraw/zinc/48/38/08/499483808.db2.gz LRLHLEXBSWZBQR-AWEZNQCLSA-N -1 3 366.421 3.014 20 0 FGADHM O=S(=O)([N-][C@@H]1C[C@H](CO)c2ccccc21)c1ccccc1C(F)(F)F ZINC000373728684 499485225 /nfs/dbraw/zinc/48/52/25/499485225.db2.gz OYFBKEAGMQXKOY-IAQYHMDHSA-N -1 3 371.380 3.205 20 0 FGADHM CC1(C)CN(C(=O)c2cc([O-])c3ccccc3c2)C[C@]2(CCCOC2)O1 ZINC000373777461 499487565 /nfs/dbraw/zinc/48/75/65/499487565.db2.gz LYKJHQPQOQYKGS-NRFANRHFSA-N -1 3 355.434 3.346 20 0 FGADHM O=S(=O)([N-][C@H](c1ccccc1)[C@H]1CCOC1)c1ccc(F)cc1F ZINC000378375972 499508931 /nfs/dbraw/zinc/50/89/31/499508931.db2.gz HQKSMCCWXHTZEG-SUMWQHHRSA-N -1 3 353.390 3.021 20 0 FGADHM O=C(Nc1ccccc1SC(F)(F)F)[C@@H]1[N-]C(=O)C[C@@H]1C(F)(F)F ZINC000375428972 499517862 /nfs/dbraw/zinc/51/78/62/499517862.db2.gz WEUQTMUTKFFJRJ-QUBYGPBYSA-N -1 3 372.290 3.304 20 0 FGADHM CSc1ccc(C(=O)N2CCCN(C(=O)c3ccccc3)CC2)c([O-])c1 ZINC000375520159 499527982 /nfs/dbraw/zinc/52/79/82/499527982.db2.gz DBBMLNHPRQYQDS-UHFFFAOYSA-N -1 3 370.474 3.102 20 0 FGADHM O=S(=O)([N-]C[C@@H]1CCCS1)c1c(Cl)cccc1Br ZINC000381070627 499544574 /nfs/dbraw/zinc/54/45/74/499544574.db2.gz BTNBUCALWPZHAI-QMMMGPOBSA-N -1 3 370.721 3.276 20 0 FGADHM CO[C@H](C)c1nsc(=NC[C@H]2CCCN(Cc3cccs3)C2)[n-]1 ZINC000375698662 499546818 /nfs/dbraw/zinc/54/68/18/499546818.db2.gz ULHWZQUJUWOKOA-CHWSQXEVSA-N -1 3 352.529 3.053 20 0 FGADHM CO[C@H](C)c1nc(=NC[C@H]2CCCN(Cc3cccs3)C2)s[n-]1 ZINC000375698662 499546819 /nfs/dbraw/zinc/54/68/19/499546819.db2.gz ULHWZQUJUWOKOA-CHWSQXEVSA-N -1 3 352.529 3.053 20 0 FGADHM O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@H]2CCCN(Cc3ccccc3)C2)n1 ZINC000383699374 499547045 /nfs/dbraw/zinc/54/70/45/499547045.db2.gz ARSJMPDTAJTQLP-OAHLLOKOSA-N -1 3 370.409 3.012 20 0 FGADHM CN(C(=O)c1ccc(C(=O)[O-])cc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000388946567 499552028 /nfs/dbraw/zinc/55/20/28/499552028.db2.gz YFXVPICUBWKFCY-IBGZPJMESA-N -1 3 352.434 3.121 20 0 FGADHM CC(C)(C)C[C@@H](CO)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000393498946 499560463 /nfs/dbraw/zinc/56/04/63/499560463.db2.gz JHANGVPJBFWSAM-JTQLQIEISA-N -1 3 373.824 3.434 20 0 FGADHM CC1(C)SC[C@@H]1[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000393830843 499560806 /nfs/dbraw/zinc/56/08/06/499560806.db2.gz ZSVVXBNFCRUSRA-VIFPVBQESA-N -1 3 370.721 3.275 20 0 FGADHM C[C@H]1CSC[C@H]1[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000397831708 499565139 /nfs/dbraw/zinc/56/51/39/499565139.db2.gz CYWLWCNTBXVYFF-OIBJUYFYSA-N -1 3 370.721 3.132 20 0 FGADHM C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[N-]S(=O)(=O)c1ccccc1F ZINC000398148089 499566880 /nfs/dbraw/zinc/56/68/80/499566880.db2.gz MFZZRILOCCQQMH-QAPCUYQASA-N -1 3 362.470 3.015 20 0 FGADHM Cc1nc([C@H]2CCCCN2C(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)no1 ZINC000376159691 499587546 /nfs/dbraw/zinc/58/75/46/499587546.db2.gz YFOJNZABKSVVIM-OAHLLOKOSA-N -1 3 370.384 3.034 20 0 FGADHM COc1ccc(C(=O)N2CCC[C@@H]2C(=O)Nc2ccc(Cl)cc2[O-])cc1 ZINC000409856724 499625682 /nfs/dbraw/zinc/62/56/82/499625682.db2.gz GXWYJXVZJQVOMZ-MRXNPFEDSA-N -1 3 374.824 3.298 20 0 FGADHM O=C(NC1CC(N2CCC(C(F)(F)F)CC2)C1)c1cc(F)ccc1[O-] ZINC000376971264 499650719 /nfs/dbraw/zinc/65/07/19/499650719.db2.gz HKSQRPBJWWCFLE-UHFFFAOYSA-N -1 3 360.351 3.066 20 0 FGADHM CCCCOc1ccc(C(=O)N2CCC[C@@H](N3CCCCC3=O)C2)c([O-])c1 ZINC000377001583 499653111 /nfs/dbraw/zinc/65/31/11/499653111.db2.gz QEXRAMQWNJPBAE-MRXNPFEDSA-N -1 3 374.481 3.188 20 0 FGADHM C[C@@H]1c2nnc(C3CCCC3)n2CCN1C(=O)Cc1ccc([O-])cc1Cl ZINC000377106737 499662642 /nfs/dbraw/zinc/66/26/42/499662642.db2.gz UWRZDWKWCSRHBS-GFCCVEGCSA-N -1 3 374.872 3.441 20 0 FGADHM C[C@]1(O)CCCN(C(=O)c2ccc(C(=O)c3cccc([O-])c3)cc2)CC1 ZINC000377267641 499675446 /nfs/dbraw/zinc/67/54/46/499675446.db2.gz QFZXPUTVLOJCNW-NRFANRHFSA-N -1 3 353.418 3.000 20 0 FGADHM COc1ccc([O-])c(C(=O)N2CCCC[C@H]2c2nnc(C3CCC3)o2)c1 ZINC000377423085 499689195 /nfs/dbraw/zinc/68/91/95/499689195.db2.gz IBEOMZFZUDYPAW-HNNXBMFYSA-N -1 3 357.410 3.419 20 0 FGADHM COc1ccc(CN[C@]2(C(=O)[O-])CCCc3cc(OC)ccc32)c(F)c1 ZINC000579359385 506156160 /nfs/dbraw/zinc/15/61/60/506156160.db2.gz LHYJHTFBTJOIQV-HXUWFJFHSA-N -1 3 359.397 3.249 20 0 FGADHM CCOC(=O)CCN(C)Cc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000411227847 499713939 /nfs/dbraw/zinc/71/39/39/499713939.db2.gz PQESHCNCXBDBRZ-UHFFFAOYSA-N -1 3 371.462 3.449 20 0 FGADHM CC(C)(C)C1CCN(C(=O)C(=O)[N-]c2nccn2-c2ccccc2)CC1 ZINC000411240369 499716055 /nfs/dbraw/zinc/71/60/55/499716055.db2.gz OPFLAPDCNLNDPU-UHFFFAOYSA-N -1 3 354.454 3.096 20 0 FGADHM COc1ccc(-n2c(CN[C@@H](C)[C@H](C)C(=O)[O-])nc3ccccc32)cc1 ZINC000579365036 506156813 /nfs/dbraw/zinc/15/68/13/506156813.db2.gz KFFPLURZQYLLQD-KBPBESRZSA-N -1 3 353.422 3.233 20 0 FGADHM O=C(N=c1cc(-c2cccc(Cl)c2)o[n-]1)c1n[nH]c(=O)c2ccccc21 ZINC000377720830 499724943 /nfs/dbraw/zinc/72/49/43/499724943.db2.gz JQHHISKKHRBBKO-UHFFFAOYSA-N -1 3 366.764 3.318 20 0 FGADHM Cc1ccc2ncc(CN3CCN(C(=O)c4ccc([O-])cc4)CC3)cc2c1 ZINC000411336034 499727060 /nfs/dbraw/zinc/72/70/60/499727060.db2.gz HQSQSJPRQHIHLI-UHFFFAOYSA-N -1 3 361.445 3.207 20 0 FGADHM C[C@]1(C[N-]S(=O)(=O)c2ccc(Cl)s2)OCCc2sccc21 ZINC000576435279 506157182 /nfs/dbraw/zinc/15/71/82/506157182.db2.gz MYIGZSNCYFSJHF-CYBMUJFWSA-N -1 3 363.913 3.229 20 0 FGADHM Cc1cncc(-c2cc([N-]C(=O)c3csc(-c4ccccn4)n3)no2)c1 ZINC000377836954 499740723 /nfs/dbraw/zinc/74/07/23/499740723.db2.gz HNVQOLJROZUCAC-UHFFFAOYSA-N -1 3 363.402 3.238 20 0 FGADHM O=C(N[C@H]1CCN(c2ncccc2Cl)C1)c1cc([O-])ccc1Cl ZINC000378034446 499755571 /nfs/dbraw/zinc/75/55/71/499755571.db2.gz GGCOLKUBZAJYJW-JTQLQIEISA-N -1 3 352.221 3.103 20 0 FGADHM COC(C)(C)CS(=O)(=O)[N-]c1cccc(NC(=O)c2ccccc2)c1 ZINC000414366001 499781518 /nfs/dbraw/zinc/78/15/18/499781518.db2.gz ATAQOFVTUAIKCT-UHFFFAOYSA-N -1 3 362.451 3.106 20 0 FGADHM CCOC(=O)CC1(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)CC1 ZINC000414372886 499782715 /nfs/dbraw/zinc/78/27/15/499782715.db2.gz QESAGBMYWZWOCU-UHFFFAOYSA-N -1 3 352.239 3.221 20 0 FGADHM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(OCCN(C)C)c(F)c1 ZINC000414383785 499784277 /nfs/dbraw/zinc/78/42/77/499784277.db2.gz AZWQGHBOFOTIRT-UHFFFAOYSA-N -1 3 370.421 3.014 20 0 FGADHM Cc1csc(C(=O)Nc2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)c1Cl ZINC000576444749 506160513 /nfs/dbraw/zinc/16/05/13/506160513.db2.gz WYCITBJEYGOLCH-INIZCTEOSA-N -1 3 363.826 3.017 20 0 FGADHM C[C@H](c1ccccc1)[C@H](C)N[C@@H]1CCN([C@H](C(=O)[O-])c2ccccc2)C1=O ZINC000414657004 499817703 /nfs/dbraw/zinc/81/77/03/499817703.db2.gz LIRJEYCSCXJHJP-FEHORTKBSA-N -1 3 366.461 3.195 20 0 FGADHM CCc1[n-][nH]c(=NC(=O)[C@@H](C)Cc2ccc(OC(F)(F)F)cc2)c1C ZINC000412081215 499821509 /nfs/dbraw/zinc/82/15/09/499821509.db2.gz RNOMXVOCSHZARD-JTQLQIEISA-N -1 3 355.360 3.418 20 0 FGADHM CCO[C@H](C)c1nc(CN(C)C(=O)c2ccc(C(C)=O)c([O-])c2)cs1 ZINC000412151040 499828401 /nfs/dbraw/zinc/82/84/01/499828401.db2.gz SQGYFLMROPPJKQ-GFCCVEGCSA-N -1 3 362.451 3.421 20 0 FGADHM COc1ccccc1OC[C@@H](C)CNC(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000412220897 499835302 /nfs/dbraw/zinc/83/53/02/499835302.db2.gz ASXBSBGHSMXXJW-ZDUSSCGKSA-N -1 3 357.406 3.048 20 0 FGADHM CC(=O)c1ccc(C(=O)NCC2CCN(c3ccccc3)CC2)cc1[O-] ZINC000412300478 499842693 /nfs/dbraw/zinc/84/26/93/499842693.db2.gz ISCWKXWOGZUVKA-UHFFFAOYSA-N -1 3 352.434 3.241 20 0 FGADHM CC(=O)c1ccc(C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)OC(C)(C)C)C2)cc1[O-] ZINC000412316900 499844275 /nfs/dbraw/zinc/84/42/75/499844275.db2.gz NRTMHDBMPPGPNF-YCRPNKLZSA-N -1 3 373.449 3.179 20 0 FGADHM CC(=O)c1ccc(C(=O)NCc2ccc3c(c2)nc(C2CC2)n3C)cc1[O-] ZINC000412330879 499845524 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SPENGAKTTMQUGA-MRXNPFEDSA-N -1 3 363.255 3.246 20 0 FGADHM CC[C@@H](CCNCc1cc(Cl)ccc1OC[C@H]1CCCO1)C(=O)[O-] ZINC000417671835 500145327 /nfs/dbraw/zinc/14/53/27/500145327.db2.gz RJHWMMYKEKRRIK-XJKSGUPXSA-N -1 3 355.862 3.488 20 0 FGADHM C[C@@H]1C[C@H](CC[N-]S(=O)(=O)c2ccc(Cl)cc2Cl)CCO1 ZINC000429883429 500161530 /nfs/dbraw/zinc/16/15/30/500161530.db2.gz HYVPWVSFVLHXLG-GHMZBOCLSA-N -1 3 352.283 3.477 20 0 FGADHM O=S(=O)([N-][C@@H]1C[C@H]1c1cccc2ccccc21)c1cn2c(n1)CCCC2 ZINC000430036531 500184301 /nfs/dbraw/zinc/18/43/01/500184301.db2.gz FKKDFEBZIIBQQF-ZWKOTPCHSA-N -1 3 367.474 3.207 20 0 FGADHM COC(=O)[C@H](CNC(=O)C[C@H](C)CC(C)C)Cc1ccc([O-])c(F)c1 ZINC000422032948 500202470 /nfs/dbraw/zinc/20/24/70/500202470.db2.gz ARJYYTMAZJSRLS-HIFRSBDPSA-N -1 3 353.434 3.052 20 0 FGADHM COc1ccc2c(c1)OC(C)(C)CN(C(=O)c1cccc(OC)c1[O-])C2 ZINC000422055233 500206967 /nfs/dbraw/zinc/20/69/67/500206967.db2.gz YVKKPPUKOMFBAB-UHFFFAOYSA-N -1 3 357.406 3.223 20 0 FGADHM 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COc1cccc(NC(=O)Cc2noc(-c3ccc(C)c(C)c3[O-])n2)c1 ZINC000445284223 500965932 /nfs/dbraw/zinc/96/59/32/500965932.db2.gz RNMFGRSHWHOADF-UHFFFAOYSA-N -1 3 353.378 3.249 20 0 FGADHM CCOc1ccc(NC(=O)Cc2noc(-c3cc(C)ccc3[O-])n2)cc1 ZINC000445347459 500976266 /nfs/dbraw/zinc/97/62/66/500976266.db2.gz BMLMKENYAXTQMH-UHFFFAOYSA-N -1 3 353.378 3.331 20 0 FGADHM CCOc1cccc([C@@H]2C[C@H]2[N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000435438385 500977335 /nfs/dbraw/zinc/97/73/35/500977335.db2.gz PKEUMIATXWNGPG-WMLDXEAASA-N -1 3 353.390 3.198 20 0 FGADHM COc1cccc(C(=O)N2CCN(C3CCC(C(C)C)CC3)CC2)c1[O-] ZINC000440126188 500978117 /nfs/dbraw/zinc/97/81/17/500978117.db2.gz DKVKEMGJCLTZOM-UHFFFAOYSA-N -1 3 360.498 3.373 20 0 FGADHM CCOc1cc(-c2noc(Cc3ccc(NC(C)=O)cc3)n2)ccc1[O-] ZINC000445427205 500983750 /nfs/dbraw/zinc/98/37/50/500983750.db2.gz NYSACBQQTSQKTA-UHFFFAOYSA-N -1 3 353.378 3.390 20 0 FGADHM CCOc1cc(-c2noc(-c3cc(OC)c4c(c3)OCCO4)n2)ccc1[O-] ZINC000445431536 500984687 /nfs/dbraw/zinc/98/46/87/500984687.db2.gz OUZLERPVVZLKOS-UHFFFAOYSA-N -1 3 370.361 3.288 20 0 FGADHM CCOc1cc(-c2noc(-c3cn(Cc4cccs4)nn3)n2)ccc1[O-] ZINC000445430279 500984857 /nfs/dbraw/zinc/98/48/57/500984857.db2.gz IURDKVNJVOEQMW-UHFFFAOYSA-N -1 3 369.406 3.209 20 0 FGADHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CC(C)(C)O3)cc1OC ZINC000440297154 500994422 /nfs/dbraw/zinc/99/44/22/500994422.db2.gz UVFVRVSMOZQYDA-UHFFFAOYSA-N -1 3 363.435 3.218 20 0 FGADHM Cn1ccnc1[C@H]1N(Cc2cc([O-])ccc2Br)CC1(C)C ZINC000449413946 500998302 /nfs/dbraw/zinc/99/83/02/500998302.db2.gz KRWXAEPVAQKGLZ-CQSZACIVSA-N -1 3 350.260 3.471 20 0 FGADHM CC(C)OC(=O)[C@@H](C)CNC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000440371456 501000856 /nfs/dbraw/zinc/00/08/56/501000856.db2.gz DODOXMLYZUAANL-HNNXBMFYSA-N -1 3 371.433 3.289 20 0 FGADHM O=S(=O)([N-]C[C@H]1CCCN1C1CCCCC1)c1cccc(F)c1F ZINC000435633075 501005463 /nfs/dbraw/zinc/00/54/63/501005463.db2.gz AVADKIKEZNZOBC-CQSZACIVSA-N -1 3 358.454 3.040 20 0 FGADHM CCc1[n-][nH]c(=NC(=O)c2sccc2C)c1-c1ccc2c(c1)OCO2 ZINC000440466907 501010697 /nfs/dbraw/zinc/01/06/97/501010697.db2.gz QFSJGQUBHXSYCS-UHFFFAOYSA-N -1 3 355.419 3.412 20 0 FGADHM CCc1[n-][nH]c(=NC(=O)c2sc(C)nc2C)c1-c1ccc2c(c1)OCO2 ZINC000440465882 501010709 /nfs/dbraw/zinc/01/07/09/501010709.db2.gz PCWQQGCINFBUQX-UHFFFAOYSA-N -1 3 370.434 3.115 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)c2cc(C)ccc2F)c1-c1ccc2c(c1)OCCO2 ZINC000435713553 501016027 /nfs/dbraw/zinc/01/60/27/501016027.db2.gz LGSAMIBVTXEQBE-UHFFFAOYSA-N -1 3 367.380 3.278 20 0 FGADHM Cc1cscc1C(=O)N=c1[nH][n-]c(C)c1-c1ccc2c(c1)OCCO2 ZINC000435712801 501016193 /nfs/dbraw/zinc/01/61/93/501016193.db2.gz GRELRTQWRBAGOC-UHFFFAOYSA-N -1 3 355.419 3.200 20 0 FGADHM CC1(C)CCC[C@@](O)(C[N-]S(=O)(=O)c2ccccc2C(F)(F)F)C1 ZINC000445738370 501026704 /nfs/dbraw/zinc/02/67/04/501026704.db2.gz GZKWBNREUJQTEZ-HNNXBMFYSA-N -1 3 365.417 3.315 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-]Cc1ccccc1N(C)C(C)C ZINC000445753108 501028156 /nfs/dbraw/zinc/02/81/56/501028156.db2.gz RWCGRNJJAASORH-UHFFFAOYSA-N -1 3 354.497 3.080 20 0 FGADHM Cc1ccc([O-])c(-c2nc(-c3cnc(OCC(F)(F)F)cn3)no2)c1 ZINC000445768362 501029852 /nfs/dbraw/zinc/02/98/52/501029852.db2.gz RKCHEQDJPPVLNE-UHFFFAOYSA-N -1 3 352.272 3.149 20 0 FGADHM O=c1[nH]c(CC(F)(F)F)c([O-])n1-c1ccc(OCc2ccncc2)cc1 ZINC000445958198 501055158 /nfs/dbraw/zinc/05/51/58/501055158.db2.gz UZWWRGYQRIJMAC-AWEZNQCLSA-N -1 3 365.311 3.038 20 0 FGADHM Cn1cc(CN(Cc2ccc(Cl)cc2)C(=O)c2csc(=O)[n-]2)cn1 ZINC000435997178 501055513 /nfs/dbraw/zinc/05/55/13/501055513.db2.gz RRBNIHJGHOPSOS-UHFFFAOYSA-N -1 3 362.842 3.078 20 0 FGADHM CC(C)[C@@H](C(=O)Nc1ccc([O-])c(C(F)(F)F)c1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000440990546 501072624 /nfs/dbraw/zinc/07/26/24/501072624.db2.gz WEFAPJRPRFNLQH-OZVIIMIRSA-N -1 3 374.403 3.483 20 0 FGADHM COC(=O)c1cccc(F)c1[N-]C(=O)c1cn(-c2ccccc2Cl)nn1 ZINC000446106837 501076013 /nfs/dbraw/zinc/07/60/13/501076013.db2.gz DKTFJAJZNARAIP-UHFFFAOYSA-N -1 3 374.759 3.099 20 0 FGADHM CCCN(CC1CC1)S(=O)(=O)[N-][C@@H](C)c1nc(C2CCCCC2)no1 ZINC000436177327 501084438 /nfs/dbraw/zinc/08/44/38/501084438.db2.gz FJWDMQVMQIVHKD-ZDUSSCGKSA-N -1 3 370.519 3.135 20 0 FGADHM COC(=O)c1cccc(F)c1[N-]S(=O)(=O)c1ccc(OC)c(C)c1C ZINC000436195655 501087912 /nfs/dbraw/zinc/08/79/12/501087912.db2.gz GRVKDXWSALBKSV-UHFFFAOYSA-N -1 3 367.398 3.039 20 0 FGADHM COc1ccc(CN=c2[n-]nc(SCCCN3CCCC3)s2)cc1 ZINC000436210578 501089861 /nfs/dbraw/zinc/08/98/61/501089861.db2.gz NQWWUBVFUIDHLN-UHFFFAOYSA-N -1 3 364.540 3.159 20 0 FGADHM CCOc1nc2cc(C(=O)N(C)CCCC(=O)OC(C)(C)C)ccc2[n-]1 ZINC000449843702 501105042 /nfs/dbraw/zinc/10/50/42/501105042.db2.gz RXBMURYPGZOOTA-UHFFFAOYSA-N -1 3 361.442 3.156 20 0 FGADHM CCOc1nc2ccc(C(=O)N(C)CCCC(=O)OC(C)(C)C)cc2[n-]1 ZINC000449843702 501105045 /nfs/dbraw/zinc/10/50/45/501105045.db2.gz RXBMURYPGZOOTA-UHFFFAOYSA-N -1 3 361.442 3.156 20 0 FGADHM Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)Cc2ccc([O-])c(F)c2)C1 ZINC000449884826 501117249 /nfs/dbraw/zinc/11/72/49/501117249.db2.gz QIEXTCGZXKIKQX-MRXNPFEDSA-N -1 3 360.404 3.307 20 0 FGADHM COC(=O)[C@@H](CNC(=O)CCc1ccc2ccccc2c1[O-])CC(C)C ZINC000449940148 501131899 /nfs/dbraw/zinc/13/18/99/501131899.db2.gz LFXABHNRIDLOQI-QGZVFWFLSA-N -1 3 357.450 3.430 20 0 FGADHM O=C(NCCCC1CCCCC1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436488473 501136849 /nfs/dbraw/zinc/13/68/49/501136849.db2.gz RNZXMLUFJMKFDX-UHFFFAOYSA-N -1 3 373.497 3.220 20 0 FGADHM COc1ccccc1[C@H]1CN(C(=O)c2ccc3c(c2[O-])CCCC3)CCN1 ZINC000436506484 501142022 /nfs/dbraw/zinc/14/20/22/501142022.db2.gz CFOUVERYFGYKCJ-LJQANCHMSA-N -1 3 366.461 3.066 20 0 FGADHM CC(=O)c1ccc(C(=O)N(Cc2cccs2)C[C@@H]2CCCO2)cc1[O-] ZINC000436525913 501148029 /nfs/dbraw/zinc/14/80/29/501148029.db2.gz PIKVBOZOWFUKPM-HNNXBMFYSA-N -1 3 359.447 3.478 20 0 FGADHM CC(C)[C@@H](CNC(=O)c1cc(F)c([O-])c(F)c1)N1CCc2ccccc2C1 ZINC000436527214 501148424 /nfs/dbraw/zinc/14/84/24/501148424.db2.gz CTTBRWZQRIMNIZ-LJQANCHMSA-N -1 3 374.431 3.483 20 0 FGADHM O=C(NCc1ccc(=O)[nH]c1)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436530344 501148831 /nfs/dbraw/zinc/14/88/31/501148831.db2.gz QIWQEZCDIHHFKC-UHFFFAOYSA-N -1 3 350.374 3.002 20 0 FGADHM CS[C@@H]1CN(C(=O)c2cc3ccccc3cc2[O-])C[C@H]1N1CCCC1 ZINC000436535860 501149734 /nfs/dbraw/zinc/14/97/34/501149734.db2.gz PCBYDHNYVMEOOJ-IEBWSBKVSA-N -1 3 356.491 3.197 20 0 FGADHM Cc1[nH]n(C)c2nnc(NC(=O)c3cc(Oc4ccccc4)ccc3[O-])c1-2 ZINC000436543034 501152786 /nfs/dbraw/zinc/15/27/86/501152786.db2.gz CIHLGSYUDYLHEF-UHFFFAOYSA-N -1 3 363.377 3.355 20 0 FGADHM Cc1ccc(NC(=O)c2ccc(C)c(C)c2[O-])c(OCC(=O)N(C)C)c1 ZINC000436548031 501153641 /nfs/dbraw/zinc/15/36/41/501153641.db2.gz LFCKWDMXRFXJSG-UHFFFAOYSA-N -1 3 356.422 3.037 20 0 FGADHM COc1ccc(C(=O)NCc2nc(-c3cccc(Cl)c3)no2)c([O-])c1 ZINC000436548326 501154468 /nfs/dbraw/zinc/15/44/68/501154468.db2.gz QPHVNBAGGOSBFG-UHFFFAOYSA-N -1 3 359.769 3.034 20 0 FGADHM CCCc1ccc([C@H](C)N(CC(N)=O)C(=O)c2ccc(C)cc2[O-])cc1 ZINC000436551075 501155343 /nfs/dbraw/zinc/15/53/43/501155343.db2.gz WSZOILCNKFQKPP-HNNXBMFYSA-N -1 3 354.450 3.342 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N2CCc3cc(Cl)ccc32)c([O-])c1 ZINC000436555734 501156176 /nfs/dbraw/zinc/15/61/76/501156176.db2.gz NQJDQODDDYRPLJ-UHFFFAOYSA-N -1 3 358.825 3.063 20 0 FGADHM Cc1cccc(C(=O)N2CSC[C@H]2C(=O)N[C@@H](C)CCC(C)C)c1[O-] ZINC000436560517 501156702 /nfs/dbraw/zinc/15/67/02/501156702.db2.gz DIEXBGGEJDEBOC-HOCLYGCPSA-N -1 3 364.511 3.157 20 0 FGADHM CC(C)Oc1ccc(S(C)(=O)=O)cc1-c1nc(-c2ccc([O-])cc2)no1 ZINC000436561919 501156912 /nfs/dbraw/zinc/15/69/12/501156912.db2.gz DJSMHKBWICATAI-UHFFFAOYSA-N -1 3 374.418 3.300 20 0 FGADHM COCCN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(C)c(C)c1[O-] ZINC000436559278 501157304 /nfs/dbraw/zinc/15/73/04/501157304.db2.gz UJNUQVPKYHQURW-UHFFFAOYSA-N -1 3 357.406 3.027 20 0 FGADHM CNC(=O)CCOc1ccc(NC(=O)c2cc3c(cc2[O-])CCCC3)cc1 ZINC000436562455 501157650 /nfs/dbraw/zinc/15/76/50/501157650.db2.gz KKBBQKVRQWACDI-UHFFFAOYSA-N -1 3 368.433 3.038 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N2CC[C@H]2c2ccc(Cl)cc2)c([O-])c1 ZINC000436562605 501158001 /nfs/dbraw/zinc/15/80/01/501158001.db2.gz BGTRLCCUQUIIAL-KRWDZBQOSA-N -1 3 372.852 3.448 20 0 FGADHM C[C@](O)(CNC(=O)c1cc(OCc2ccccc2)ccc1[O-])C(F)(F)F ZINC000436579070 501161180 /nfs/dbraw/zinc/16/11/80/501161180.db2.gz BIFGLVXLIVPNEK-KRWDZBQOSA-N -1 3 369.339 3.014 20 0 FGADHM COc1ccc(C(=O)NCCCOc2ccc(C(F)(F)F)cn2)c([O-])c1 ZINC000436593448 501165601 /nfs/dbraw/zinc/16/56/01/501165601.db2.gz CBCMWZNBTCCTPB-UHFFFAOYSA-N -1 3 370.327 3.014 20 0 FGADHM CC(=O)c1ccc(C(=O)N[C@@H](c2ccc3c(c2)OCCO3)C2CC2)cc1[O-] ZINC000436608150 501169288 /nfs/dbraw/zinc/16/92/88/501169288.db2.gz PINXSSLEDOTAAF-HXUWFJFHSA-N -1 3 367.401 3.247 20 0 FGADHM CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436611690 501169902 /nfs/dbraw/zinc/16/99/02/501169902.db2.gz LLTKGSOPBANDRY-HUUCEWRRSA-N -1 3 354.450 3.016 20 0 FGADHM Cc1cccc([C@H](C)NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])c1C ZINC000436626214 501172657 /nfs/dbraw/zinc/17/26/57/501172657.db2.gz ONLCXKYNZWEWLI-QFBILLFUSA-N -1 3 366.461 3.491 20 0 FGADHM CC(C)c1ccc(C(=O)NC[C@H](c2ccccc2)N2CCOCC2)c([O-])c1 ZINC000436639693 501176380 /nfs/dbraw/zinc/17/63/80/501176380.db2.gz LXAWUDGNPFPBLM-HXUWFJFHSA-N -1 3 368.477 3.319 20 0 FGADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCCCCF ZINC000436641575 501176743 /nfs/dbraw/zinc/17/67/43/501176743.db2.gz OMJGAYFKOIYVNX-SFHVURJKSA-N -1 3 358.413 3.119 20 0 FGADHM COc1cccc(C(C)(C)C[N-]S(=O)(=O)c2ccc(F)cc2F)c1 ZINC000441878878 501179541 /nfs/dbraw/zinc/17/95/41/501179541.db2.gz ZVZVPCJPAJSPAI-UHFFFAOYSA-N -1 3 355.406 3.230 20 0 FGADHM CC(=O)NCCN(Cc1ccsc1)C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000436654547 501180624 /nfs/dbraw/zinc/18/06/24/501180624.db2.gz AQCHKOBWIVICQN-UHFFFAOYSA-N -1 3 372.490 3.111 20 0 FGADHM CCOC(=O)c1ccsc1[N-]C(=O)C(=O)N1CCC[C@H](C(C)C)CC1 ZINC000441886796 501181008 /nfs/dbraw/zinc/18/10/08/501181008.db2.gz RSDAAVMQEBTGBV-ZDUSSCGKSA-N -1 3 366.483 3.148 20 0 FGADHM CC1CCN([C@@H](CNC(=O)C(=O)c2ccc([O-])cc2)c2cccs2)CC1 ZINC000436664842 501182625 /nfs/dbraw/zinc/18/26/25/501182625.db2.gz MFYIADKNGQELSP-KRWDZBQOSA-N -1 3 372.490 3.226 20 0 FGADHM CC(C)(C)NC(=O)CCNC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436676041 501186349 /nfs/dbraw/zinc/18/63/49/501186349.db2.gz ZQUZPCZLHDNIBU-UHFFFAOYSA-N -1 3 354.450 3.018 20 0 FGADHM COC(=O)c1ccnc(NC(=O)c2cc(Cc3ccccc3)ccc2[O-])c1 ZINC000436676443 501186410 /nfs/dbraw/zinc/18/64/10/501186410.db2.gz PKOBKWFBGMSJNX-UHFFFAOYSA-N -1 3 362.385 3.417 20 0 FGADHM Cc1ccc(C(=O)NCCc2nc(-c3cc4ccccc4o3)no2)c([O-])c1 ZINC000436685617 501188155 /nfs/dbraw/zinc/18/81/55/501188155.db2.gz BZVPTHXASAYLNT-UHFFFAOYSA-N -1 3 363.373 3.469 20 0 FGADHM Cc1cc(C)cc(-c2cc(=NC(=O)CNC(=O)CCC3CCCC3)[nH][n-]2)c1 ZINC000588219343 506239438 /nfs/dbraw/zinc/23/94/38/506239438.db2.gz JEKYLEUUMANRAY-UHFFFAOYSA-N -1 3 368.481 3.141 20 0 FGADHM CCC[C@H](C(=O)NCCCNC(=O)c1cccc([O-])c1)c1ccccc1 ZINC000588218775 506239551 /nfs/dbraw/zinc/23/95/51/506239551.db2.gz DJIQLZYWHQALQA-IBGZPJMESA-N -1 3 354.450 3.212 20 0 FGADHM CC(C)[C@H]1CCC[C@@H](NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)C1 ZINC000436701409 501191697 /nfs/dbraw/zinc/19/16/97/501191697.db2.gz AHCCHYXOIABBKI-DLBZAZTESA-N -1 3 373.497 3.074 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N2CCC[C@@H]2Cc2ccccc2)c([O-])c1 ZINC000436710432 501193933 /nfs/dbraw/zinc/19/39/33/501193933.db2.gz UFFNELSHVRLSGM-GOSISDBHSA-N -1 3 366.461 3.054 20 0 FGADHM COc1ccc([C@H](C)NC(=O)c2cc(NC(C)=O)ccc2[O-])c(C)c1OC ZINC000436737416 501200447 /nfs/dbraw/zinc/20/04/47/501200447.db2.gz JBKJSZAGXFZJHI-LBPRGKRZSA-N -1 3 372.421 3.167 20 0 FGADHM C[C@H](C(=O)NC(C)(C)C)N(C)C(=O)CCc1ccc2ccccc2c1[O-] ZINC000450771966 501205320 /nfs/dbraw/zinc/20/53/20/501205320.db2.gz OVOBIJBZOCHQKP-CQSZACIVSA-N -1 3 356.466 3.240 20 0 FGADHM NC(=O)[C@@H](NC(=O)c1cc(Oc2ccccc2)ccc1[O-])c1ccccc1 ZINC000436758248 501205676 /nfs/dbraw/zinc/20/56/76/501205676.db2.gz YFMZBKKOGWSZNH-IBGZPJMESA-N -1 3 362.385 3.141 20 0 FGADHM COc1ccc(OCCN(C)C(=O)c2cc3c(cc2[O-])CCCC3)cc1 ZINC000436757679 501206062 /nfs/dbraw/zinc/20/60/62/501206062.db2.gz WKRANTXKPIAYEL-UHFFFAOYSA-N -1 3 355.434 3.431 20 0 FGADHM CCOc1c(Cl)cccc1CN1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436766050 501207522 /nfs/dbraw/zinc/20/75/22/501207522.db2.gz CBVIHPCSKQIHDY-UHFFFAOYSA-N -1 3 374.868 3.402 20 0 FGADHM COc1ccc([C@H](CNC(=O)c2ccc(O)cc2[O-])N2CCCCC2)cc1 ZINC000436766103 501207725 /nfs/dbraw/zinc/20/77/25/501207725.db2.gz ZXSAIERIJJTLGL-IBGZPJMESA-N -1 3 370.449 3.063 20 0 FGADHM Cc1ccc(NC(=O)CN(C)C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)cc1 ZINC000436771579 501208351 /nfs/dbraw/zinc/20/83/51/501208351.db2.gz AAVXZGRISWLARE-UHFFFAOYSA-N -1 3 368.433 3.125 20 0 FGADHM COC(=O)c1nc(NC(=O)c2cc(C)cc(OC)c2[O-])sc1C(C)C ZINC000436786725 501211769 /nfs/dbraw/zinc/21/17/69/501211769.db2.gz YSHFGNSXHGMJFC-UHFFFAOYSA-N -1 3 364.423 3.328 20 0 FGADHM CCOc1cc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])ccc1C ZINC000436798090 501213238 /nfs/dbraw/zinc/21/32/38/501213238.db2.gz RBURTNBYPJKSAH-QGZVFWFLSA-N -1 3 368.433 3.343 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N[C@H](C)CCCC(F)(F)F)c([O-])c1 ZINC000436821941 501216235 /nfs/dbraw/zinc/21/62/35/501216235.db2.gz NAFBRJXOODBXJD-GFCCVEGCSA-N -1 3 360.376 3.058 20 0 FGADHM COC(=O)[C@]1(C)CCCN1C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436825682 501217565 /nfs/dbraw/zinc/21/75/65/501217565.db2.gz HFOZGTDWZXXJGO-QFIPXVFZSA-N -1 3 367.445 3.345 20 0 FGADHM CC(=O)c1ccc(C(=O)NC[C@@H](c2ccco2)N2CCCCC2)cc1[O-] ZINC000436849120 501221132 /nfs/dbraw/zinc/22/11/32/501221132.db2.gz CVTIPIMIXXPXSX-KRWDZBQOSA-N -1 3 356.422 3.145 20 0 FGADHM COc1cccc(C(=O)NC[C@H](NCc2ccccc2)c2ccco2)c1[O-] ZINC000436857600 501222365 /nfs/dbraw/zinc/22/23/65/501222365.db2.gz QMPYKNNFOVMSMR-KRWDZBQOSA-N -1 3 366.417 3.255 20 0 FGADHM CC(C)c1ccc(C(=O)NCCCNC(=O)c2cccc(F)c2)c([O-])c1 ZINC000436856907 501222378 /nfs/dbraw/zinc/22/23/78/501222378.db2.gz ZSELDXSCQKPHQL-UHFFFAOYSA-N -1 3 358.413 3.205 20 0 FGADHM O=C(C[C@@H]1CCCN1C(=O)Cc1ccc([O-])c(F)c1)c1ccc(F)cc1 ZINC000450276964 501224072 /nfs/dbraw/zinc/22/40/72/501224072.db2.gz KFFQPMNJUFHIHN-INIZCTEOSA-N -1 3 359.372 3.477 20 0 FGADHM CCOc1cc(-c2noc(CCCNC(=O)[C@@H]3CC=CCC3)n2)ccc1[O-] ZINC000436876117 501225374 /nfs/dbraw/zinc/22/53/74/501225374.db2.gz GMFRTECAZVCCPI-CQSZACIVSA-N -1 3 371.437 3.246 20 0 FGADHM O=c1[n-]nc([C@H]2CCCN(CCOc3ccc(C(F)(F)F)cc3)C2)o1 ZINC000450895878 501225480 /nfs/dbraw/zinc/22/54/80/501225480.db2.gz KUSQHBJDXZKONI-NSHDSACASA-N -1 3 357.332 3.052 20 0 FGADHM COc1ccc(Br)c(CN(C)C(=O)c2c([O-])cccc2O)c1 ZINC000436885017 501227294 /nfs/dbraw/zinc/22/72/94/501227294.db2.gz MHMIXGSWXNLADJ-UHFFFAOYSA-N -1 3 366.211 3.141 20 0 FGADHM COc1cc(C)cc(-c2nc(-c3ccc(Cn4cncn4)cc3)no2)c1[O-] ZINC000436893816 501228654 /nfs/dbraw/zinc/22/86/54/501228654.db2.gz BXQUQAJZGYEWJT-UHFFFAOYSA-N -1 3 363.377 3.066 20 0 FGADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)N[C@H]1CCc2ccc(F)cc21 ZINC000592782824 506242172 /nfs/dbraw/zinc/24/21/72/506242172.db2.gz ZHCKHQXGGRKVLB-HNNXBMFYSA-N -1 3 366.396 3.108 20 0 FGADHM CCc1cnc(CNC(=O)c2cc(OCc3ccccc3)ccc2[O-])o1 ZINC000436919159 501232396 /nfs/dbraw/zinc/23/23/96/501232396.db2.gz MFKUCKDTXOVZLY-UHFFFAOYSA-N -1 3 352.390 3.452 20 0 FGADHM CCOC(=O)c1cnc(C)c([N-]S(=O)(=O)CCC2CCCCC2)c1 ZINC000450994576 501237628 /nfs/dbraw/zinc/23/76/28/501237628.db2.gz ZSCIBRJGSUQUTK-UHFFFAOYSA-N -1 3 354.472 3.279 20 0 FGADHM Cc1cc(Br)ccc1S(=O)(=O)[N-]C(C)(C)C(F)(F)F ZINC000451030873 501240577 /nfs/dbraw/zinc/24/05/77/501240577.db2.gz JXMLRIKRNDBIBQ-UHFFFAOYSA-N -1 3 360.195 3.377 20 0 FGADHM CCOC(=O)[C@H]([N-]S(=O)(=O)c1ccc(C2CC2)cc1)c1ccccc1 ZINC000451264502 501256165 /nfs/dbraw/zinc/25/61/65/501256165.db2.gz UAISTIDTMWVLNL-GOSISDBHSA-N -1 3 359.447 3.147 20 0 FGADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)[C@@H]3CCC[C@H]3CC)c2)[n-]1 ZINC000451283033 501257397 /nfs/dbraw/zinc/25/73/97/501257397.db2.gz FDAXSLKSYPCDEL-GDBMZVCRSA-N -1 3 370.453 3.091 20 0 FGADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)[C@@H]3CCC[C@H]3CC)c2)n[n-]1 ZINC000451283033 501257398 /nfs/dbraw/zinc/25/73/98/501257398.db2.gz FDAXSLKSYPCDEL-GDBMZVCRSA-N -1 3 370.453 3.091 20 0 FGADHM CCc1noc(CC)c1C[N-]S(=O)(=O)C[C@@H]1CCCCC1(F)F ZINC000451296689 501259160 /nfs/dbraw/zinc/25/91/60/501259160.db2.gz MSNKOUAGYKTMFA-NSHDSACASA-N -1 3 350.431 3.044 20 0 FGADHM CC(C)c1cccc(CC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000457644657 501275838 /nfs/dbraw/zinc/27/58/38/501275838.db2.gz HEGSHNIXDOMTDX-UHFFFAOYSA-N -1 3 366.461 3.043 20 0 FGADHM CC(C)[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc3ccccc3c2F)CCO1 ZINC000451373746 501277881 /nfs/dbraw/zinc/27/78/81/501277881.db2.gz HTRAKDOWKUQIMF-HOCLYGCPSA-N -1 3 351.443 3.461 20 0 FGADHM CCCOc1ccc(C(=O)C[N-]S(=O)(=O)c2cc(C)cs2)cc1 ZINC000451408633 501285452 /nfs/dbraw/zinc/28/54/52/501285452.db2.gz YSBDBPZTHQLYKO-UHFFFAOYSA-N -1 3 353.465 3.007 20 0 FGADHM CCOc1nc2cc(C(=O)N3CCC[C@@H]3[C@@H]3C[C@H](C)CC[C@H]3O)ccc2[n-]1 ZINC000451429667 501291967 /nfs/dbraw/zinc/29/19/67/501291967.db2.gz MOSPRMJPSKOGCB-ALQDCCJHSA-N -1 3 371.481 3.363 20 0 FGADHM CCOc1nc2ccc(C(=O)N3CCC[C@@H]3[C@@H]3C[C@H](C)CC[C@H]3O)cc2[n-]1 ZINC000451429667 501291970 /nfs/dbraw/zinc/29/19/70/501291970.db2.gz MOSPRMJPSKOGCB-ALQDCCJHSA-N -1 3 371.481 3.363 20 0 FGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(-c2nc(C3(C)CC3)no2)ccc1F ZINC000453315480 501313311 /nfs/dbraw/zinc/31/33/11/501313311.db2.gz GXIUFERNBFPWIR-UHFFFAOYSA-N -1 3 353.419 3.004 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]C[C@H]2CSc3ccccc32)c(F)c1 ZINC000451612472 501336481 /nfs/dbraw/zinc/33/64/81/501336481.db2.gz KNUXWMFRRQRJTD-NSHDSACASA-N -1 3 353.440 3.002 20 0 FGADHM CC(F)(F)CC[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000451611581 501336510 /nfs/dbraw/zinc/33/65/10/501336510.db2.gz JERBVCSQPASHOV-UHFFFAOYSA-N -1 3 362.623 3.426 20 0 FGADHM CCC[C@@H](C[N-]S(=O)(=O)c1ccc(OC)c(Cl)c1Cl)OC ZINC000451637337 501341651 /nfs/dbraw/zinc/34/16/51/501341651.db2.gz DCSCCBUWAXFYDJ-VIFPVBQESA-N -1 3 356.271 3.095 20 0 FGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H]2CCO[C@H](C(C)C)C2)c1 ZINC000451813520 501378144 /nfs/dbraw/zinc/37/81/44/501378144.db2.gz DZPWAZQVOZJNKT-WFASDCNBSA-N -1 3 361.891 3.078 20 0 FGADHM Cc1c(Cl)cc(S(=O)(=O)[N-]CC2(CF)CCOCC2)cc1Cl ZINC000451816198 501378637 /nfs/dbraw/zinc/37/86/37/501378637.db2.gz NZMVJVRYUYLZTI-UHFFFAOYSA-N -1 3 370.273 3.346 20 0 FGADHM O=S(=O)([N-]CC1(CF)CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000451816564 501378858 /nfs/dbraw/zinc/37/88/58/501378858.db2.gz OSKKCHYGFVBHCC-UHFFFAOYSA-N -1 3 356.246 3.038 20 0 FGADHM CCCc1ncc(C[N-]S(=O)(=O)c2ccc(OC(C)C)c(C)c2)o1 ZINC000451958807 501408381 /nfs/dbraw/zinc/40/83/81/501408381.db2.gz MJODNOHPRVLHDG-UHFFFAOYSA-N -1 3 352.456 3.201 20 0 FGADHM CO[C@@H]([C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)C1CC1 ZINC000451966161 501410521 /nfs/dbraw/zinc/41/05/21/501410521.db2.gz DRORYDJPXPTBHV-OQPBUACISA-N -1 3 371.808 3.451 20 0 FGADHM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]C1(C2(C)CC2)CC1 ZINC000451991959 501414546 /nfs/dbraw/zinc/41/45/46/501414546.db2.gz SFDZGLJDNMGPDZ-LBPRGKRZSA-N -1 3 373.902 3.365 20 0 FGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]CCC[C@@H]1CCOC1 ZINC000452023693 501420328 /nfs/dbraw/zinc/42/03/28/501420328.db2.gz WYJKNXJCZGALCE-GFCCVEGCSA-N -1 3 357.859 3.490 20 0 FGADHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-][C@@H](C)c1cccc(C)c1 ZINC000452097918 501434518 /nfs/dbraw/zinc/43/45/18/501434518.db2.gz FFQDXSVZQNVBDU-NSHDSACASA-N -1 3 351.424 3.031 20 0 FGADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)C3=CC[C@H](C)CC3)c2)[n-]1 ZINC000456021467 501439607 /nfs/dbraw/zinc/43/96/07/501439607.db2.gz HNBKLBVKMRYEKF-ZDUSSCGKSA-N -1 3 368.437 3.011 20 0 FGADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)C3=CC[C@H](C)CC3)c2)n[n-]1 ZINC000456021467 501439610 /nfs/dbraw/zinc/43/96/10/501439610.db2.gz HNBKLBVKMRYEKF-ZDUSSCGKSA-N -1 3 368.437 3.011 20 0 FGADHM COC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1CC[C@@H](CC(C)(C)C)C1 ZINC000454090016 501458448 /nfs/dbraw/zinc/45/84/48/501458448.db2.gz JBGIMMKHYSXAAG-LBPRGKRZSA-N -1 3 366.483 3.066 20 0 FGADHM Cc1ccc(C2(CNC(=O)c3ccc([N-]S(C)(=O)=O)cc3)CC2)c(C)c1 ZINC000452292531 501472739 /nfs/dbraw/zinc/47/27/39/501472739.db2.gz CJEAEGSNHQJGTO-UHFFFAOYSA-N -1 3 372.490 3.137 20 0 FGADHM CC(C)(CNC(=O)Cc1ccc(Br)cc1[O-])c1ccccn1 ZINC000452383714 501488049 /nfs/dbraw/zinc/48/80/49/501488049.db2.gz DMMOWSOZLOYYQW-UHFFFAOYSA-N -1 3 363.255 3.186 20 0 FGADHM CC[C@H](C)[C@H](CNC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1)OC ZINC000454274296 501499293 /nfs/dbraw/zinc/49/92/93/501499293.db2.gz GNWOHAJMXWANQX-SJCJKPOMSA-N -1 3 358.442 3.340 20 0 FGADHM NC(=O)c1cccc(CN(C(=O)CCCc2ccc([O-])c(F)c2)C2CC2)c1 ZINC000452435337 501499761 /nfs/dbraw/zinc/49/97/61/501499761.db2.gz VNKNYETXFTWSCL-UHFFFAOYSA-N -1 3 370.424 3.144 20 0 FGADHM CC(C)[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])[C@@H]1C(C)C ZINC000456360945 501508787 /nfs/dbraw/zinc/50/87/87/501508787.db2.gz ZIYRWCHLRLEGAN-JENIJYKNSA-N -1 3 358.482 3.136 20 0 FGADHM Cc1nc(-c2ccc(NC(=O)NCCOCC3CCCC3)cc2)cc(=O)[n-]1 ZINC000454369120 501525266 /nfs/dbraw/zinc/52/52/66/501525266.db2.gz XJQAVZBMTDMNGI-UHFFFAOYSA-N -1 3 370.453 3.486 20 0 FGADHM CC[C@@H](C)n1c2ccc(NC(=O)c3nc[n-]n3)cc2nc1C(F)(F)F ZINC000452578682 501526389 /nfs/dbraw/zinc/52/63/89/501526389.db2.gz PWDGZEGUQGZVQV-MRVPVSSYSA-N -1 3 352.320 3.397 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N2CC[C@@H](C(F)(F)F)C[C@H]2C)c([O-])c1 ZINC000452652773 501538433 /nfs/dbraw/zinc/53/84/33/501538433.db2.gz NMBGBKOIRNUKRN-CHWSQXEVSA-N -1 3 372.387 3.010 20 0 FGADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)NC[C@H]1CCCCC1(F)F ZINC000452711464 501549800 /nfs/dbraw/zinc/54/98/00/501549800.db2.gz HVDXDSLPBLZLRS-LLVKDONJSA-N -1 3 364.396 3.107 20 0 FGADHM CCC(=O)N1CCC[C@@H](C(=O)Nc2c([O-])ccc(Br)c2C)C1 ZINC000452747802 501555504 /nfs/dbraw/zinc/55/55/04/501555504.db2.gz ITYGPAZKTWCFSG-LLVKDONJSA-N -1 3 369.259 3.050 20 0 FGADHM CCc1cc(C(=O)N[C@@H]2C[C@@H](OC(C)(C)C)[C@H]2n2cccn2)ccc1[O-] ZINC000456701437 501581175 /nfs/dbraw/zinc/58/11/75/501581175.db2.gz PZHOXMGRBYPXFV-NXHRZFHOSA-N -1 3 357.454 3.078 20 0 FGADHM C[C@H](NC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)[C@@H]1CCC[C@@H](C)C1 ZINC000456992408 501631562 /nfs/dbraw/zinc/63/15/62/501631562.db2.gz GEXWMUBQBWLGSR-FRRDWIJNSA-N -1 3 356.463 3.142 20 0 FGADHM Cc1nnc([C@H]2CCCCN2Cc2cc(=O)[n-]c(-c3ccccc3)n2)[nH]1 ZINC000459370087 501640677 /nfs/dbraw/zinc/64/06/77/501640677.db2.gz HDZJEYZVLJBMMN-MRXNPFEDSA-N -1 3 350.426 3.003 20 0 FGADHM Cc1nc([C@H]2CCCCN2Cc2cc(=O)[n-]c(-c3ccccc3)n2)n[nH]1 ZINC000459370087 501640679 /nfs/dbraw/zinc/64/06/79/501640679.db2.gz HDZJEYZVLJBMMN-MRXNPFEDSA-N -1 3 350.426 3.003 20 0 FGADHM CCOc1cc(CN2CCC[C@@H]2CC(=O)OC)cc(Br)c1[O-] ZINC000459371292 501641504 /nfs/dbraw/zinc/64/15/04/501641504.db2.gz JAVZSIKQIKYSAL-GFCCVEGCSA-N -1 3 372.259 3.081 20 0 FGADHM COC(=O)[C@H]1CCCC[C@@]1(C)NCc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000459379668 501643000 /nfs/dbraw/zinc/64/30/00/501643000.db2.gz SSNCYRNYAFKVGN-OXQOHEQNSA-N -1 3 355.438 3.061 20 0 FGADHM C[C@H]1CN(C(C)(C)CNCc2cccc([O-])c2Br)C[C@H](C)O1 ZINC000459383046 501643515 /nfs/dbraw/zinc/64/35/15/501643515.db2.gz ULNWPTFEMIWFCD-STQMWFEESA-N -1 3 371.319 3.132 20 0 FGADHM CC(C)c1cccc(-n2cc([O-])c(C(=O)N(C)[C@@H]3CCN(C(C)C)C3)n2)c1 ZINC000457084260 501647671 /nfs/dbraw/zinc/64/76/71/501647671.db2.gz GGQPJHPBTGVHBT-GOSISDBHSA-N -1 3 370.497 3.256 20 0 FGADHM CCOc1cc(CNc2n[nH]c(CC)c2C)cc(Br)c1[O-] ZINC000459442052 501654650 /nfs/dbraw/zinc/65/46/50/501654650.db2.gz LWOZINKSEURRKL-UHFFFAOYSA-N -1 3 354.248 3.181 20 0 FGADHM Cc1ccc(CN(CCO)Cc2cccc([O-])c2Br)cc1 ZINC000459488348 501662570 /nfs/dbraw/zinc/66/25/70/501662570.db2.gz UGBOOYPNUQDLEJ-UHFFFAOYSA-N -1 3 350.256 3.458 20 0 FGADHM Cc1cccc(C[C@H](CO)NCc2cccc([O-])c2Br)c1 ZINC000459494279 501663529 /nfs/dbraw/zinc/66/35/29/501663529.db2.gz JCLCRNFYCBNOGO-OAHLLOKOSA-N -1 3 350.256 3.156 20 0 FGADHM O=c1cc(CN[C@@H](CCO)c2cccc(C(F)(F)F)c2)nc(C2CC2)[n-]1 ZINC000459524949 501669454 /nfs/dbraw/zinc/66/94/54/501669454.db2.gz WWIWEPSUEVNLFS-HNNXBMFYSA-N -1 3 367.371 3.292 20 0 FGADHM CC[C@@]1(C(C)C)C[C@@H]1NC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000457256737 501672904 /nfs/dbraw/zinc/67/29/04/501672904.db2.gz BHFOGGOXCBVZOF-PXNSSMCTSA-N -1 3 371.437 3.495 20 0 FGADHM COc1cccc(C(F)(F)CNCc2cccc([O-])c2Br)n1 ZINC000459547458 501674062 /nfs/dbraw/zinc/67/40/62/501674062.db2.gz JTKAHNJILJSDRI-UHFFFAOYSA-N -1 3 373.197 3.440 20 0 FGADHM CON1CCC(N(C)C(=O)c2cc(CCc3ccccc3)ccc2[O-])CC1 ZINC000457298638 501677850 /nfs/dbraw/zinc/67/78/50/501677850.db2.gz AILJDTMLOPRLNQ-UHFFFAOYSA-N -1 3 368.477 3.275 20 0 FGADHM CCOc1cc(CN[C@@H](C)C(=O)Nc2cccnc2C)cc(Cl)c1[O-] ZINC000459600267 501684969 /nfs/dbraw/zinc/68/49/69/501684969.db2.gz SVKVCIUSHISAFS-LBPRGKRZSA-N -1 3 363.845 3.265 20 0 FGADHM C[C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O)C1CCC1 ZINC000457541241 501718870 /nfs/dbraw/zinc/71/88/70/501718870.db2.gz KBIULHONEOOFTQ-SECBINFHSA-N -1 3 364.389 3.452 20 0 FGADHM COC[C@@H]([N-]S(=O)(=O)c1c(C)c(C)c(C)c(C)c1C)c1ccco1 ZINC000474178387 501732530 /nfs/dbraw/zinc/73/25/30/501732530.db2.gz ULERBLXIHXFEES-MRXNPFEDSA-N -1 3 351.468 3.488 20 0 FGADHM Cc1ccccc1-c1cc(=NC(=O)CCC(=O)c2ccc(Cl)cn2)[nH][n-]1 ZINC000470581874 501735446 /nfs/dbraw/zinc/73/54/46/501735446.db2.gz HQXZEPYRHDBWDR-UHFFFAOYSA-N -1 3 368.824 3.457 20 0 FGADHM Cc1nc(C)c(CC(=O)N2CCC(=Cc3ccc(F)c(F)c3)CC2)c(=O)[n-]1 ZINC000470588634 501737341 /nfs/dbraw/zinc/73/73/41/501737341.db2.gz RYKQCUGNFVBZOG-UHFFFAOYSA-N -1 3 373.403 3.326 20 0 FGADHM CO[C@@H](CNC(=O)Cc1ccc(Br)cc1[O-])c1ccccc1 ZINC000477616853 501739028 /nfs/dbraw/zinc/73/90/28/501739028.db2.gz KODJSFUNYIHEDG-INIZCTEOSA-N -1 3 364.239 3.201 20 0 FGADHM O=S(=O)([N-]CCOCc1ccccc1)c1cccc(Cl)c1Cl ZINC000474211016 501745602 /nfs/dbraw/zinc/74/56/02/501745602.db2.gz CXBVIMSGZITRIN-UHFFFAOYSA-N -1 3 360.262 3.489 20 0 FGADHM CCc1[n-][nH]c(=NC(=O)N[C@@H](c2ccc(OC)cc2)C(F)(F)F)c1C ZINC000481332540 501747903 /nfs/dbraw/zinc/74/79/03/501747903.db2.gz ULKXJFVQYXCGJF-ZDUSSCGKSA-N -1 3 356.348 3.136 20 0 FGADHM CC(=O)NCc1ccc(S(=O)(=O)[N-][C@@H](C)[C@H](C)C2CCCCC2)s1 ZINC000481338822 501749210 /nfs/dbraw/zinc/74/92/10/501749210.db2.gz LVGHURMFIBTJMN-STQMWFEESA-N -1 3 372.556 3.267 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)N[C@@H]1CCOc2c(F)ccc(F)c21 ZINC000463623950 501777549 /nfs/dbraw/zinc/77/75/49/501777549.db2.gz YKNLRSUYOVGRNS-CYBMUJFWSA-N -1 3 352.312 3.133 20 0 FGADHM O=S(=O)(Cc1cccc2cccnc21)[N-][C@@H]1COc2ccc(Cl)cc21 ZINC000474296743 501780520 /nfs/dbraw/zinc/78/05/20/501780520.db2.gz JGRPPOXQSNCSBV-MRXNPFEDSA-N -1 3 374.849 3.441 20 0 FGADHM O=C(COC/C=C/c1ccccc1)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1 ZINC000477773511 501784073 /nfs/dbraw/zinc/78/40/73/501784073.db2.gz HXYATDLVUUHORP-QPJJXVBHSA-N -1 3 369.371 3.445 20 0 FGADHM CCOC(=O)c1c(C(C)C)csc1[N-]C(=O)C(=O)N1CCCC[C@@H]1C ZINC000467397164 501785361 /nfs/dbraw/zinc/78/53/61/501785361.db2.gz RIEWVOOPZUHDKM-LBPRGKRZSA-N -1 3 366.483 3.388 20 0 FGADHM Cc1cn(-c2cccc(NC(=O)c3cc(-c4ccc(C)o4)[n-]n3)c2)c(=O)[nH]1 ZINC000477808503 501793612 /nfs/dbraw/zinc/79/36/12/501793612.db2.gz LUUKPIYFIZIFFK-UHFFFAOYSA-N -1 3 363.377 3.430 20 0 FGADHM Cc1cn(-c2cccc(NC(=O)c3cc(-c4ccc(C)o4)n[n-]3)c2)c(=O)[nH]1 ZINC000477808503 501793615 /nfs/dbraw/zinc/79/36/15/501793615.db2.gz LUUKPIYFIZIFFK-UHFFFAOYSA-N -1 3 363.377 3.430 20 0 FGADHM CCOC(=O)COc1ccc(-c2nc3cc(F)c(F)cc3c(=O)[n-]2)cc1 ZINC000481515280 501797718 /nfs/dbraw/zinc/79/77/18/501797718.db2.gz DCRDSXYHDQXALX-UHFFFAOYSA-N -1 3 360.316 3.223 20 0 FGADHM CC[C@H]1CN(C(=O)CNC(=O)c2cccc([O-])c2)CC[C@@H]1c1ccccc1 ZINC000485401027 501811002 /nfs/dbraw/zinc/81/10/02/501811002.db2.gz DGLDCHCQQIFEGR-JXFKEZNVSA-N -1 3 366.461 3.164 20 0 FGADHM COCc1nc(SCC(=O)N[C@@H](c2cccs2)c2ccccc2)n[n-]1 ZINC000474388964 501817218 /nfs/dbraw/zinc/81/72/18/501817218.db2.gz GVAWBSRRCXXBJA-MRXNPFEDSA-N -1 3 374.491 3.011 20 0 FGADHM CS(=O)(=O)[N-]c1cc(C(=O)NCc2ccc(C3CC3)cc2)ccc1F ZINC000481658383 501841807 /nfs/dbraw/zinc/84/18/07/501841807.db2.gz OFMJZBONSDBHJF-UHFFFAOYSA-N -1 3 362.426 3.005 20 0 FGADHM O=C(N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1)c1cc(-c2cccnc2)on1 ZINC000467718290 501853507 /nfs/dbraw/zinc/85/35/07/501853507.db2.gz NSORJQNOZBUOKM-UHFFFAOYSA-N -1 3 367.315 3.079 20 0 FGADHM COC(=O)c1cc(F)cc([N-]C(=O)c2cn3cc(C)nc3s2)c1F ZINC000478056826 501868241 /nfs/dbraw/zinc/86/82/41/501868241.db2.gz GTKRXVYEKHICEB-UHFFFAOYSA-N -1 3 351.334 3.021 20 0 FGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(NC(=O)C(C)(C)C(F)F)ccc1F ZINC000470965016 501872745 /nfs/dbraw/zinc/87/27/45/501872745.db2.gz DPBQJMOHPGOJQO-UHFFFAOYSA-N -1 3 366.405 3.132 20 0 FGADHM COc1ccc(CNc2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)c(F)c1 ZINC000467788844 501873804 /nfs/dbraw/zinc/87/38/04/501873804.db2.gz RGCYOGSZUUGACO-UHFFFAOYSA-N -1 3 354.385 3.043 20 0 FGADHM COC(=O)c1cc(F)cc([N-]C(=O)c2cc(C)nc3onc(C)c32)c1F ZINC000478084209 501876040 /nfs/dbraw/zinc/87/60/40/501876040.db2.gz KPBQDOFOIGCUNM-UHFFFAOYSA-N -1 3 361.304 3.157 20 0 FGADHM COC(=O)c1ccc(NC(=O)c2c[n-]nc2-c2ccccc2)cc1OC ZINC000478086542 501877575 /nfs/dbraw/zinc/87/75/75/501877575.db2.gz PWGUDVFYEWMJCK-UHFFFAOYSA-N -1 3 351.362 3.124 20 0 FGADHM Cc1cc(C)n2nc(C(=O)[N-]c3nc4cc(F)c(C)cc4s3)nc2n1 ZINC000478090072 501877873 /nfs/dbraw/zinc/87/78/73/501877873.db2.gz VGKVVBFILWCRIU-UHFFFAOYSA-N -1 3 356.386 3.051 20 0 FGADHM O=C(N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1)c1cccnc1N1CCCC1 ZINC000467804823 501878594 /nfs/dbraw/zinc/87/85/94/501878594.db2.gz ZTQAZMLNKVUNJQ-UHFFFAOYSA-N -1 3 369.375 3.024 20 0 FGADHM COC(=O)c1cc(F)cc([N-]C(=O)c2cc(F)cc3nccnc32)c1F ZINC000478102045 501881033 /nfs/dbraw/zinc/88/10/33/501881033.db2.gz NDNAVUDEUBGKLF-UHFFFAOYSA-N -1 3 361.279 3.086 20 0 FGADHM O=C(NC1CC(c2ccc(F)c(Cl)c2)C1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000467865016 501893434 /nfs/dbraw/zinc/89/34/34/501893434.db2.gz DKMDFTDKBLKLQH-UHFFFAOYSA-N -1 3 372.783 3.039 20 0 FGADHM CCCCc1nc(C(=O)OCC)c(NC(=O)COc2cccc(C)c2)[n-]1 ZINC000485667022 501894016 /nfs/dbraw/zinc/89/40/16/501894016.db2.gz PIWQWDUVDFVCJV-UHFFFAOYSA-N -1 3 359.426 3.255 20 0 FGADHM CCCCc1nc(NC(=O)COc2cccc(C)c2)c(C(=O)OCC)[n-]1 ZINC000485667022 501894019 /nfs/dbraw/zinc/89/40/19/501894019.db2.gz PIWQWDUVDFVCJV-UHFFFAOYSA-N -1 3 359.426 3.255 20 0 FGADHM CCCCc1nc(C(=O)OCC)c(NC(=O)[C@@H]2COc3ccccc3C2)[n-]1 ZINC000485668334 501895331 /nfs/dbraw/zinc/89/53/31/501895331.db2.gz RMQBKAOPOMTFKU-AWEZNQCLSA-N -1 3 371.437 3.119 20 0 FGADHM CCCCc1nc(NC(=O)[C@@H]2COc3ccccc3C2)c(C(=O)OCC)[n-]1 ZINC000485668334 501895336 /nfs/dbraw/zinc/89/53/36/501895336.db2.gz RMQBKAOPOMTFKU-AWEZNQCLSA-N -1 3 371.437 3.119 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)c3ccc4oc(C)nc4c3)[n-]c21 ZINC000471038745 501898934 /nfs/dbraw/zinc/89/89/34/501898934.db2.gz RHRSVBSYAKQBLE-UHFFFAOYSA-N -1 3 350.334 3.051 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccc4oc(C)nc4c3)nc21 ZINC000471038745 501898939 /nfs/dbraw/zinc/89/89/39/501898939.db2.gz RHRSVBSYAKQBLE-UHFFFAOYSA-N -1 3 350.334 3.051 20 0 FGADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000481911010 501916590 /nfs/dbraw/zinc/91/65/90/501916590.db2.gz PFIAXILKUZEEOX-RNFRBKRXSA-N -1 3 362.714 3.036 20 0 FGADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000481911010 501916595 /nfs/dbraw/zinc/91/65/95/501916595.db2.gz PFIAXILKUZEEOX-RNFRBKRXSA-N -1 3 362.714 3.036 20 0 FGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000481911010 501916599 /nfs/dbraw/zinc/91/65/99/501916599.db2.gz PFIAXILKUZEEOX-RNFRBKRXSA-N -1 3 362.714 3.036 20 0 FGADHM CCc1cc2c(nc(-c3cnc(OCC(F)(F)F)cn3)[n-]c2=O)s1 ZINC000478232578 501916648 /nfs/dbraw/zinc/91/66/48/501916648.db2.gz QVGDRYPEVLUNQI-UHFFFAOYSA-N -1 3 356.329 3.357 20 0 FGADHM CNC(=O)c1ccc(Cl)c([N-]C(=O)c2scnc2C(F)(F)F)c1 ZINC000485744679 501922417 /nfs/dbraw/zinc/92/24/17/501922417.db2.gz GLMRPMIQKSBQDY-UHFFFAOYSA-N -1 3 363.748 3.427 20 0 FGADHM CN(C)[C@H](C(=O)NCc1ccc([O-])c(F)c1)c1c(F)cccc1Cl ZINC000478284454 501931976 /nfs/dbraw/zinc/93/19/76/501931976.db2.gz UAMTYOUHBJBNFQ-INIZCTEOSA-N -1 3 354.784 3.243 20 0 FGADHM Cc1cccc(O[C@@H](C)C(=O)Nc2nnc(-c3c(F)cccc3F)[n-]2)c1 ZINC000478315434 501939712 /nfs/dbraw/zinc/93/97/12/501939712.db2.gz PAYUNHLOWDUNJF-NSHDSACASA-N -1 3 358.348 3.464 20 0 FGADHM Cc1cccc(O[C@@H](C)C(=O)Nc2nc(-c3c(F)cccc3F)n[n-]2)c1 ZINC000478315434 501939718 /nfs/dbraw/zinc/93/97/18/501939718.db2.gz PAYUNHLOWDUNJF-NSHDSACASA-N -1 3 358.348 3.464 20 0 FGADHM Cc1cccc(O[C@@H](C)C(=O)Nc2n[n-]c(-c3c(F)cccc3F)n2)c1 ZINC000478315434 501939724 /nfs/dbraw/zinc/93/97/24/501939724.db2.gz PAYUNHLOWDUNJF-NSHDSACASA-N -1 3 358.348 3.464 20 0 FGADHM O=C(Nc1nnc(-c2c(F)cccc2F)[n-]1)[C@@H]1Cc2ccccc2S1 ZINC000478313063 501940279 /nfs/dbraw/zinc/94/02/79/501940279.db2.gz JXFKIGGXBRRBIK-ZDUSSCGKSA-N -1 3 358.373 3.405 20 0 FGADHM O=C(Nc1nc(-c2c(F)cccc2F)n[n-]1)[C@@H]1Cc2ccccc2S1 ZINC000478313063 501940283 /nfs/dbraw/zinc/94/02/83/501940283.db2.gz JXFKIGGXBRRBIK-ZDUSSCGKSA-N -1 3 358.373 3.405 20 0 FGADHM O=C(Nc1n[n-]c(-c2c(F)cccc2F)n1)[C@@H]1Cc2ccccc2S1 ZINC000478313063 501940289 /nfs/dbraw/zinc/94/02/89/501940289.db2.gz JXFKIGGXBRRBIK-ZDUSSCGKSA-N -1 3 358.373 3.405 20 0 FGADHM COc1cc(C(=O)Nc2nnc(-c3ccccc3)s2)cc(OC)c1[O-] ZINC000482026386 501951315 /nfs/dbraw/zinc/95/13/15/501951315.db2.gz RCUMICHIJFELHY-UHFFFAOYSA-N -1 3 357.391 3.180 20 0 FGADHM COc1cccc2c1nc(NC(=O)c1cc(-c3ccc(C)o3)[n-]n1)n2C ZINC000474787880 501952965 /nfs/dbraw/zinc/95/29/65/501952965.db2.gz CDCKTMAQCGHUPH-UHFFFAOYSA-N -1 3 351.366 3.126 20 0 FGADHM COc1cccc2c1nc(NC(=O)c1cc(-c3ccc(C)o3)n[n-]1)n2C ZINC000474787880 501952972 /nfs/dbraw/zinc/95/29/72/501952972.db2.gz CDCKTMAQCGHUPH-UHFFFAOYSA-N -1 3 351.366 3.126 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H]2CCCOc3c(F)cccc32)c1 ZINC000482042094 501955162 /nfs/dbraw/zinc/95/51/62/501955162.db2.gz NODLLZHDFCOVDE-INIZCTEOSA-N -1 3 358.369 3.133 20 0 FGADHM CC(C)[C@H](c1ccc(F)cc1)N(C)C(=O)CNC(=O)c1cccc([O-])c1 ZINC000468124273 501965475 /nfs/dbraw/zinc/96/54/75/501965475.db2.gz AASQTYXDNADBBW-LJQANCHMSA-N -1 3 358.413 3.117 20 0 FGADHM Cc1oc2ccccc2c1CC[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000464380902 501972229 /nfs/dbraw/zinc/97/22/29/501972229.db2.gz WCRRYEKIWRJVLK-UHFFFAOYSA-N -1 3 350.827 3.311 20 0 FGADHM CC[C@@H](C)[C@@H](C)NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000602753805 506285673 /nfs/dbraw/zinc/28/56/73/506285673.db2.gz BAEUNMMAUQMNIZ-NXEZZACHSA-N -1 3 351.244 3.455 20 0 FGADHM CC[C@@H](NCc1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1)c1ccc(F)cc1F ZINC000482096824 501973865 /nfs/dbraw/zinc/97/38/65/501973865.db2.gz HIPBVYJLSKBAEL-YLJYHZDGSA-N -1 3 373.403 3.260 20 0 FGADHM C[C@H](CC(F)(F)F)NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000464389235 501974480 /nfs/dbraw/zinc/97/44/80/501974480.db2.gz UESPAGGDDBUVLR-SSDOTTSWSA-N -1 3 355.154 3.295 20 0 FGADHM C[C@]1(CNC(=O)Cc2ccc([O-])cc2Cl)OCCc2sccc21 ZINC000460984092 501981299 /nfs/dbraw/zinc/98/12/99/501981299.db2.gz WDIFTMZUKQRFBY-QGZVFWFLSA-N -1 3 351.855 3.254 20 0 FGADHM O=S(=O)([N-]CCc1c[nH]c2ccc(Cl)cc12)c1ccccc1F ZINC000485902401 501983349 /nfs/dbraw/zinc/98/33/49/501983349.db2.gz WSZFOJANDGZBFT-UHFFFAOYSA-N -1 3 352.818 3.481 20 0 FGADHM C[C@@H]1C[C@@H](C)[C@@H](C)N(C(=O)N=c2cc3ccc(Br)cn3[n-]2)C1 ZINC000482126663 501983580 /nfs/dbraw/zinc/98/35/80/501983580.db2.gz AOBVTBNPUDJYTI-IJLUTSLNSA-N -1 3 365.275 3.417 20 0 FGADHM CC(C)c1ncc(Cl)c(C(=O)[N-]c2cc(-c3nc[nH]n3)ccc2F)n1 ZINC000468193694 501983814 /nfs/dbraw/zinc/98/38/14/501983814.db2.gz YDMWZVLWEMVHNA-UHFFFAOYSA-N -1 3 360.780 3.430 20 0 FGADHM C[C@H]1CCN(C(=O)N=c2cc3ccc(Br)cn3[n-]2)C[C@H](C)C1 ZINC000482180816 502000184 /nfs/dbraw/zinc/00/01/84/502000184.db2.gz CWSMNSPKAMSEQR-NWDGAFQWSA-N -1 3 365.275 3.419 20 0 FGADHM CC(C)(C)OCc1ccccc1C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000482208637 502007803 /nfs/dbraw/zinc/00/78/03/502007803.db2.gz HDJUSLSUDYBSKN-UHFFFAOYSA-N -1 3 356.348 3.069 20 0 FGADHM CC(C)(C)OCc1ccccc1C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000482208637 502007808 /nfs/dbraw/zinc/00/78/08/502007808.db2.gz HDJUSLSUDYBSKN-UHFFFAOYSA-N -1 3 356.348 3.069 20 0 FGADHM CC(C)(C)OCc1ccccc1C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000482208637 502007812 /nfs/dbraw/zinc/00/78/12/502007812.db2.gz HDJUSLSUDYBSKN-UHFFFAOYSA-N -1 3 356.348 3.069 20 0 FGADHM CCCc1ccc(C(=O)CCC(=O)NCc2nnc(C(F)(F)F)[n-]2)cc1 ZINC000482220881 502011910 /nfs/dbraw/zinc/01/19/10/502011910.db2.gz YLVMJVPYURTHQH-UHFFFAOYSA-N -1 3 368.359 3.055 20 0 FGADHM CCCc1ccc(C(=O)CCC(=O)NCc2n[n-]c(C(F)(F)F)n2)cc1 ZINC000482220881 502011914 /nfs/dbraw/zinc/01/19/14/502011914.db2.gz YLVMJVPYURTHQH-UHFFFAOYSA-N -1 3 368.359 3.055 20 0 FGADHM CCCc1ccc(C(=O)CCC(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000482220881 502011916 /nfs/dbraw/zinc/01/19/16/502011916.db2.gz YLVMJVPYURTHQH-UHFFFAOYSA-N -1 3 368.359 3.055 20 0 FGADHM CC(C)=CCOc1cccc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000461104564 502013507 /nfs/dbraw/zinc/01/35/07/502013507.db2.gz XMWRBLWPNKCDHM-UHFFFAOYSA-N -1 3 363.421 3.142 20 0 FGADHM CC(C)=CCOc1cccc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000461104564 502013511 /nfs/dbraw/zinc/01/35/11/502013511.db2.gz XMWRBLWPNKCDHM-UHFFFAOYSA-N -1 3 363.421 3.142 20 0 FGADHM Cc1cc(C(=O)Nc2cccc(-c3nnn[n-]3)c2)c(Br)s1 ZINC000471407057 502015629 /nfs/dbraw/zinc/01/56/29/502015629.db2.gz 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502048161 /nfs/dbraw/zinc/04/81/61/502048161.db2.gz GMGMFIOJWJTADQ-UHFFFAOYSA-N -1 3 363.808 3.358 20 0 FGADHM Cn1[n-]c(-c2ccccc2Cl)nc1=NC(=O)Cc1c[nH]c2ccccc12 ZINC000461236572 502048538 /nfs/dbraw/zinc/04/85/38/502048538.db2.gz WKVGVCXRYFTLTE-UHFFFAOYSA-N -1 3 365.824 3.220 20 0 FGADHM Cn1[n-]c(-c2ccccc2Cl)nc1=NC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC000461243907 502050247 /nfs/dbraw/zinc/05/02/47/502050247.db2.gz SKHOYWZYDINPGB-CABCVRRESA-N -1 3 370.815 3.439 20 0 FGADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000461338310 502075384 /nfs/dbraw/zinc/07/53/84/502075384.db2.gz LMPSJDMXTXCAGI-IACUBPJLSA-N -1 3 354.454 3.250 20 0 FGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCc2cc(F)ccc21 ZINC000486239421 502095053 /nfs/dbraw/zinc/09/50/53/502095053.db2.gz AEQIUNINMJOOBN-CQSZACIVSA-N -1 3 355.818 3.454 20 0 FGADHM Cc1nc(-c2ccc(CCNC(=O)c3csc(=O)[n-]3)s2)cs1 ZINC000471650631 502098828 /nfs/dbraw/zinc/09/88/28/502098828.db2.gz VYMNCTVPWUOBKW-UHFFFAOYSA-N -1 3 351.478 3.315 20 0 FGADHM COc1cccc(C[C@@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2OC)c1 ZINC000486260170 502102339 /nfs/dbraw/zinc/10/23/39/502102339.db2.gz RQSWMSCSUBVOAR-GFCCVEGCSA-N -1 3 369.870 3.267 20 0 FGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1C[C@@H]1c1c(F)cccc1F ZINC000486257992 502102544 /nfs/dbraw/zinc/10/25/44/502102544.db2.gz ATWMGQLDSPYLHC-GWCFXTLKSA-N -1 3 373.808 3.461 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)c1cscn1 ZINC000582557276 506293678 /nfs/dbraw/zinc/29/36/78/506293678.db2.gz LPXZZZRYYUZNOJ-ZETCQYMHSA-N -1 3 370.349 3.220 20 0 FGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)NC[C@@H]2CC[C@H](C)C2)cc1OC ZINC000478909148 502118282 /nfs/dbraw/zinc/11/82/82/502118282.db2.gz LPAWPRNGAVJAFH-QWHCGFSZSA-N -1 3 369.487 3.015 20 0 FGADHM CN(C)C(=O)C[C@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1ccccc1 ZINC000468608200 502122795 /nfs/dbraw/zinc/12/27/95/502122795.db2.gz LKBMHDFHJUQKOF-SFHVURJKSA-N -1 3 372.440 3.190 20 0 FGADHM O=C(CCCc1ccc([O-])c(F)c1)NCc1cccc(Cn2cccn2)c1 ZINC000468634310 502132775 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Cc1cc(Cl)ccc1NC(=O)[C@H](C)S(=O)(=O)c1cccc([O-])c1 ZINC000461736033 502185035 /nfs/dbraw/zinc/18/50/35/502185035.db2.gz JTBJQJDXZZXFLJ-NSHDSACASA-N -1 3 353.827 3.155 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)c1ccc(OCC(F)(F)F)cc1)C(F)(F)F ZINC000468794956 502186605 /nfs/dbraw/zinc/18/66/05/502186605.db2.gz CGROCKYTCSBXTR-JTQLQIEISA-N -1 3 365.295 3.247 20 0 FGADHM CC(C)n1ccc(=NC(=O)c2[n-]nc(-c3ccccc3)c2Br)[nH]1 ZINC000482820080 502188423 /nfs/dbraw/zinc/18/84/23/502188423.db2.gz JJOXQGJRNZDMAZ-UHFFFAOYSA-N -1 3 374.242 3.291 20 0 FGADHM CC(C)n1ccc(=NC(=O)c2n[n-]c(-c3ccccc3)c2Br)[nH]1 ZINC000482820080 502188430 /nfs/dbraw/zinc/18/84/30/502188430.db2.gz JJOXQGJRNZDMAZ-UHFFFAOYSA-N -1 3 374.242 3.291 20 0 FGADHM O=C(NCCc1ccc2ccccc2c1)NCc1nnc(C(F)(F)F)[n-]1 ZINC000482831776 502191133 /nfs/dbraw/zinc/19/11/33/502191133.db2.gz OKBKIUVCBUUFLK-UHFFFAOYSA-N -1 3 363.343 3.019 20 0 FGADHM O=C(NCCc1ccc2ccccc2c1)NCc1n[n-]c(C(F)(F)F)n1 ZINC000482831776 502191137 /nfs/dbraw/zinc/19/11/37/502191137.db2.gz 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502203365 /nfs/dbraw/zinc/20/33/65/502203365.db2.gz VZXGINUQMJDXCA-UHFFFAOYSA-N -1 3 373.858 3.405 20 0 FGADHM O=c1cc(CN2CCOc3cc(Br)c(Cl)cc32)occ1[O-] ZINC000482872067 502203886 /nfs/dbraw/zinc/20/38/86/502203886.db2.gz ILLRMEBJXSSWOG-UHFFFAOYSA-N -1 3 372.602 3.160 20 0 FGADHM CC(C)[C@@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1nnc2ccccn21 ZINC000468846216 502203944 /nfs/dbraw/zinc/20/39/44/502203944.db2.gz HIZYTXDFNPFPLO-LJQANCHMSA-N -1 3 370.428 3.410 20 0 FGADHM CC[C@@H](C)c1nc([C@@H](C)[N-]S(=O)(=O)c2cc(F)cc(Cl)c2)n[nH]1 ZINC000486606579 502205783 /nfs/dbraw/zinc/20/57/83/502205783.db2.gz QSKPZNNAMCOPTK-RKDXNWHRSA-N -1 3 360.842 3.150 20 0 FGADHM COc1ccccc1[C@H](CC(C)C)NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000472039773 502207467 /nfs/dbraw/zinc/20/74/67/502207467.db2.gz WBVHFCKEVMBUBK-KRWDZBQOSA-N -1 3 366.417 3.096 20 0 FGADHM CC[C@H](C)c1nc([C@H](C)[N-]S(=O)(=O)c2c(F)cccc2Cl)n[nH]1 ZINC000486612194 502208846 /nfs/dbraw/zinc/20/88/46/502208846.db2.gz VJIMMJSHXRVBGN-IUCAKERBSA-N -1 3 360.842 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/nfs/dbraw/zinc/29/58/69/503295869.db2.gz CIBAYBWKLQJXIM-UHFFFAOYSA-N -1 3 358.239 3.398 20 0 FGADHM O=S(=O)(Cc1ccccc1F)[N-]C[C@@H](c1ccco1)N1CCCCC1 ZINC000507518717 503314340 /nfs/dbraw/zinc/31/43/40/503314340.db2.gz TWXPTTXVUBVRCU-KRWDZBQOSA-N -1 3 366.458 3.065 20 0 FGADHM Cc1cc(CC[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)on1 ZINC000511412394 503316400 /nfs/dbraw/zinc/31/64/00/503316400.db2.gz FGYSSDFYEXQXSB-UHFFFAOYSA-N -1 3 368.764 3.176 20 0 FGADHM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2ccc(C)c(F)c2)c(Cl)c1 ZINC000507543152 503318454 /nfs/dbraw/zinc/31/84/54/503318454.db2.gz TXHULBRABPKGMY-UHFFFAOYSA-N -1 3 371.817 3.053 20 0 FGADHM Cc1ccccc1-c1cc(NC(=O)c2cc(F)cc3[n-]nnc32)n(C)n1 ZINC000502986545 503319212 /nfs/dbraw/zinc/31/92/12/503319212.db2.gz FCQCQQCVKIDBIR-UHFFFAOYSA-N -1 3 350.357 3.058 20 0 FGADHM Cc1ccccc1-c1cc(NC(=O)c2cc(F)cc3nn[n-]c32)n(C)n1 ZINC000502986545 503319217 /nfs/dbraw/zinc/31/92/17/503319217.db2.gz FCQCQQCVKIDBIR-UHFFFAOYSA-N -1 3 350.357 3.058 20 0 FGADHM Cc1ccccc1-c1cc(NC(=O)c2cc(F)cc3n[n-]nc32)n(C)n1 ZINC000502986545 503319221 /nfs/dbraw/zinc/31/92/21/503319221.db2.gz FCQCQQCVKIDBIR-UHFFFAOYSA-N -1 3 350.357 3.058 20 0 FGADHM CCCCCc1n[n-]c(=NC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)s1 ZINC000503004112 503322111 /nfs/dbraw/zinc/32/21/11/503322111.db2.gz IMGUEYMNZYBXMC-MRXNPFEDSA-N -1 3 373.526 3.089 20 0 FGADHM O=S(=O)([N-][C@H](CN1CCCC1)c1ccccc1)c1cccc(F)c1F ZINC000507560098 503322722 /nfs/dbraw/zinc/32/27/22/503322722.db2.gz KRZSOWRBYFLWHF-MRXNPFEDSA-N -1 3 366.433 3.080 20 0 FGADHM COc1cccc(C2=CCN(C(=O)c3cc(F)cc4[n-]nnc43)CC2)c1 ZINC000503025748 503328515 /nfs/dbraw/zinc/32/85/15/503328515.db2.gz TWSSVLQDALLBRE-UHFFFAOYSA-N -1 3 352.369 3.035 20 0 FGADHM COc1cccc(C2=CCN(C(=O)c3cc(F)cc4nn[n-]c43)CC2)c1 ZINC000503025748 503328519 /nfs/dbraw/zinc/32/85/19/503328519.db2.gz TWSSVLQDALLBRE-UHFFFAOYSA-N -1 3 352.369 3.035 20 0 FGADHM COc1cccc(C2=CCN(C(=O)c3cc(F)cc4n[n-]nc43)CC2)c1 ZINC000503025748 503328522 /nfs/dbraw/zinc/32/85/22/503328522.db2.gz TWSSVLQDALLBRE-UHFFFAOYSA-N -1 3 352.369 3.035 20 0 FGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@H]2CCC(C)(C)C2)cc1OC ZINC000507602067 503329640 /nfs/dbraw/zinc/32/96/40/503329640.db2.gz GQXWDRDVEFBVOJ-ZDUSSCGKSA-N -1 3 369.487 3.157 20 0 FGADHM COc1ccc(CN2CCC(C(=O)Nc3ccccc3[O-])CC2)c(F)c1 ZINC000515417607 503334743 /nfs/dbraw/zinc/33/47/43/503334743.db2.gz ZYAVKHJKRLDVBC-UHFFFAOYSA-N -1 3 358.413 3.391 20 0 FGADHM COC(=O)CCSc1ncccc1[N-]C(=O)c1ncccc1Cl ZINC000499254924 503366776 /nfs/dbraw/zinc/36/67/76/503366776.db2.gz KMRNJMNUNIBPQK-UHFFFAOYSA-N -1 3 351.815 3.038 20 0 FGADHM COc1ccc(-c2cc(NCc3cc([O-])cc(F)c3)n(CCO)n2)cc1 ZINC000492434373 503369016 /nfs/dbraw/zinc/36/90/16/503369016.db2.gz CHGNITQKRLAEFM-UHFFFAOYSA-N -1 3 357.385 3.008 20 0 FGADHM CC(C)(C)Oc1cccc(C[N-]S(=O)(=O)c2cc(F)c(F)cc2F)n1 ZINC000503221410 503370644 /nfs/dbraw/zinc/37/06/44/503370644.db2.gz SDIOMOVISSCRLM-UHFFFAOYSA-N -1 3 374.384 3.155 20 0 FGADHM C[C@@H]1CN(CC2CCN(Cc3cccc([O-])c3Cl)CC2)C[C@@H](C)O1 ZINC000507833866 503376387 /nfs/dbraw/zinc/37/63/87/503376387.db2.gz PFILJPVBHZDPCA-HUUCEWRRSA-N -1 3 352.906 3.367 20 0 FGADHM CCOC(=O)c1nnsc1[N-]C(=O)[C@@H](C)Oc1ccc(Cl)c(C)c1 ZINC000515652198 503380013 /nfs/dbraw/zinc/38/00/13/503380013.db2.gz AWNBMSXHFBLYDA-SECBINFHSA-N -1 3 369.830 3.083 20 0 FGADHM Cc1ncc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2cccc(Br)c2)s1 ZINC000515750166 503394873 /nfs/dbraw/zinc/39/48/73/503394873.db2.gz GWBFWVZSHCRDKQ-NWDGAFQWSA-N -1 3 373.297 3.048 20 0 FGADHM O=S(=O)([N-]c1ccc2n[nH]nc2c1)c1cccc(-c2ccccc2)c1 ZINC000507941616 503401200 /nfs/dbraw/zinc/40/12/00/503401200.db2.gz YULSYZWPELWQTH-UHFFFAOYSA-N -1 3 350.403 3.426 20 0 FGADHM O=S(=O)([N-]c1ccc2[nH]nnc2c1)c1cccc(-c2ccccc2)c1 ZINC000507941616 503401205 /nfs/dbraw/zinc/40/12/05/503401205.db2.gz YULSYZWPELWQTH-UHFFFAOYSA-N -1 3 350.403 3.426 20 0 FGADHM CC(C)C(=O)N1CCCC[C@@H]1C(=O)Nc1ccc(Br)cc1[O-] ZINC000515808572 503405229 /nfs/dbraw/zinc/40/52/29/503405229.db2.gz VINVKHSVLPLVCD-CYBMUJFWSA-N -1 3 369.259 3.130 20 0 FGADHM CCCN(C(=O)c1cnc2c(cnn2C)c1[O-])[C@H](C)c1ccccc1OC ZINC000511915312 503414869 /nfs/dbraw/zinc/41/48/69/503414869.db2.gz GARMCWRSZRHCAP-CYBMUJFWSA-N -1 3 368.437 3.296 20 0 FGADHM O=C(N[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F)c1cc(F)cc2nn[n-]c21 ZINC000503488118 503419474 /nfs/dbraw/zinc/41/94/74/503419474.db2.gz PUBNRTRQPFEUFC-ZWNOBZJWSA-N -1 3 364.302 3.402 20 0 FGADHM O=C(N[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F)c1cc(F)cc2[n-]nnc21 ZINC000503488118 503419477 /nfs/dbraw/zinc/41/94/77/503419477.db2.gz PUBNRTRQPFEUFC-ZWNOBZJWSA-N -1 3 364.302 3.402 20 0 FGADHM O=C(N[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F)c1cc(F)cc2n[n-]nc21 ZINC000503488118 503419479 /nfs/dbraw/zinc/41/94/79/503419479.db2.gz PUBNRTRQPFEUFC-ZWNOBZJWSA-N -1 3 364.302 3.402 20 0 FGADHM CCc1c(C(=O)Nc2ccc(C)cc2[O-])nnn1Cc1ccc(F)cc1 ZINC000493312375 503419715 /nfs/dbraw/zinc/41/97/15/503419715.db2.gz XPSQSCFPEGRPKW-UHFFFAOYSA-N -1 3 354.385 3.294 20 0 FGADHM COC(=O)CCSc1cccc(NC(=O)c2cc(F)cc3[n-]nnc32)c1 ZINC000503513773 503424863 /nfs/dbraw/zinc/42/48/63/503424863.db2.gz ZQYINVZPWXWHDP-UHFFFAOYSA-N -1 3 374.397 3.005 20 0 FGADHM COC(=O)CCSc1cccc(NC(=O)c2cc(F)cc3nn[n-]c32)c1 ZINC000503513773 503424868 /nfs/dbraw/zinc/42/48/68/503424868.db2.gz ZQYINVZPWXWHDP-UHFFFAOYSA-N -1 3 374.397 3.005 20 0 FGADHM COC(=O)CCSc1cccc(NC(=O)c2cc(F)cc3n[n-]nc32)c1 ZINC000503513773 503424871 /nfs/dbraw/zinc/42/48/71/503424871.db2.gz ZQYINVZPWXWHDP-UHFFFAOYSA-N -1 3 374.397 3.005 20 0 FGADHM Cc1noc(CCCC(=O)N=c2cc(-c3cc(C)c(C)cc3C)[n-][nH]2)n1 ZINC000515984637 503427690 /nfs/dbraw/zinc/42/76/90/503427690.db2.gz PNKQQDJOBHNCSE-UHFFFAOYSA-N -1 3 353.426 3.077 20 0 FGADHM COC(=O)c1cc(C)c([N-]S(=O)(=O)CCc2ccccc2)c(Cl)c1 ZINC000508098749 503430815 /nfs/dbraw/zinc/43/08/15/503430815.db2.gz WWEILHORONHXTL-UHFFFAOYSA-N -1 3 367.854 3.419 20 0 FGADHM CC(C)CCc1ccc(S(=O)(=O)[N-][C@]2(C(F)(F)F)CCOC2)cc1 ZINC000508108278 503432153 /nfs/dbraw/zinc/43/21/53/503432153.db2.gz BCBJJINLURCBFE-OAHLLOKOSA-N -1 3 365.417 3.275 20 0 FGADHM CCN=c1[n-]c(C(=O)N[C@@H](c2ccc(OC)cc2)C(F)(F)F)cs1 ZINC000508107652 503432345 /nfs/dbraw/zinc/43/23/45/503432345.db2.gz YHTBPPOTJXYKCV-LBPRGKRZSA-N -1 3 359.373 3.039 20 0 FGADHM CC(C)C[C@@H](C)Oc1cc(CNC(=O)c2cc(F)cc3nn[n-]c32)ccn1 ZINC000503622498 503447812 /nfs/dbraw/zinc/44/78/12/503447812.db2.gz OJHGHGWHHKUUNA-GFCCVEGCSA-N -1 3 371.416 3.235 20 0 FGADHM CC(C)C[C@@H](C)Oc1cc(CNC(=O)c2cc(F)cc3[n-]nnc32)ccn1 ZINC000503622498 503447816 /nfs/dbraw/zinc/44/78/16/503447816.db2.gz OJHGHGWHHKUUNA-GFCCVEGCSA-N -1 3 371.416 3.235 20 0 FGADHM CC(C)C[C@@H](C)Oc1cc(CNC(=O)c2cc(F)cc3n[n-]nc32)ccn1 ZINC000503622498 503447820 /nfs/dbraw/zinc/44/78/20/503447820.db2.gz OJHGHGWHHKUUNA-GFCCVEGCSA-N -1 3 371.416 3.235 20 0 FGADHM Cc1ccccc1[C@@H](C(C)C)N(C)C(=O)c1cnc2c(cnn2C)c1[O-] ZINC000512067443 503448523 /nfs/dbraw/zinc/44/85/23/503448523.db2.gz GVLNPZYKNLDKAD-QGZVFWFLSA-N -1 3 352.438 3.452 20 0 FGADHM C[C@@H]1SCCN(C(=O)c2cc(F)cc3[n-]nnc32)[C@H]1c1ccccc1 ZINC000503634370 503449138 /nfs/dbraw/zinc/44/91/38/503449138.db2.gz HZDOKADUHDDHGX-APPDUMDISA-N -1 3 356.426 3.416 20 0 FGADHM C[C@@H]1SCCN(C(=O)c2cc(F)cc3nn[n-]c32)[C@H]1c1ccccc1 ZINC000503634370 503449140 /nfs/dbraw/zinc/44/91/40/503449140.db2.gz HZDOKADUHDDHGX-APPDUMDISA-N -1 3 356.426 3.416 20 0 FGADHM C[C@@H]1SCCN(C(=O)c2cc(F)cc3n[n-]nc32)[C@H]1c1ccccc1 ZINC000503634370 503449145 /nfs/dbraw/zinc/44/91/45/503449145.db2.gz HZDOKADUHDDHGX-APPDUMDISA-N -1 3 356.426 3.416 20 0 FGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)c2ccccc2SC)s1 ZINC000499649425 503449719 /nfs/dbraw/zinc/44/97/19/503449719.db2.gz QIZIKRPWNQZQOC-SNVBAGLBSA-N -1 3 371.505 3.296 20 0 FGADHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-][C@@H]2C[C@@H]2C2CCCCC2)s1 ZINC000608032395 506384555 /nfs/dbraw/zinc/38/45/55/506384555.db2.gz QOVOYSRGTOIMJM-KCPJHIHWSA-N -1 3 370.540 3.192 20 0 FGADHM COCC1(C[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CCC1 ZINC000499692769 503459478 /nfs/dbraw/zinc/45/94/78/503459478.db2.gz JHVJPYSKUBJMLE-UHFFFAOYSA-N -1 3 371.808 3.454 20 0 FGADHM O=C(CCc1ncc[nH]1)N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1 ZINC000493956606 503465470 /nfs/dbraw/zinc/46/54/70/503465470.db2.gz CZUMQNVFUJVCPH-UHFFFAOYSA-N -1 3 350.209 3.100 20 0 FGADHM COCC[C@H]([N-]S(=O)(=O)c1cccc(Br)c1)c1ccco1 ZINC000503777152 503470852 /nfs/dbraw/zinc/47/08/52/503470852.db2.gz UEIDOOZLBHKSMZ-ZDUSSCGKSA-N -1 3 374.256 3.098 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)[C@@H](C)c3ccc(F)c(F)c3)[n-]c21 ZINC000494121986 503491272 /nfs/dbraw/zinc/49/12/72/503491272.db2.gz UMNXBQMSQZXGOB-VIFPVBQESA-N -1 3 359.332 3.370 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@@H](C)c3ccc(F)c(F)c3)nc21 ZINC000494121986 503491278 /nfs/dbraw/zinc/49/12/78/503491278.db2.gz UMNXBQMSQZXGOB-VIFPVBQESA-N -1 3 359.332 3.370 20 0 FGADHM COCC[C@H](NC(=O)NCc1ccc([O-])c(Br)c1)C(C)(C)C ZINC000512230608 503492983 /nfs/dbraw/zinc/49/29/83/503492983.db2.gz RQXZBZPRKOPSTP-AWEZNQCLSA-N -1 3 373.291 3.405 20 0 FGADHM O=C(c1c[n-]c2c(F)cc(F)cc2c1=O)N1CC[C@H](CC(F)(F)F)C1 ZINC000508437101 503493531 /nfs/dbraw/zinc/49/35/31/503493531.db2.gz RKFBNLPGHATLCQ-MRVPVSSYSA-N -1 3 360.282 3.221 20 0 FGADHM CC(C)[C@@H]1C[C@H]1C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000499855722 503495408 /nfs/dbraw/zinc/49/54/08/503495408.db2.gz NAQVRURYPCNZMH-QWHCGFSZSA-N -1 3 356.463 3.133 20 0 FGADHM CC(C)(C)OC(=O)c1ccc(CNc2ccc3c(c2)C(=O)[N-]C3=O)cc1 ZINC000508468430 503499567 /nfs/dbraw/zinc/49/95/67/503499567.db2.gz TYDXDQBWRJSXEG-UHFFFAOYSA-N -1 3 352.390 3.138 20 0 FGADHM O=C(COc1cccc(NC(=O)C2CC2)c1)Nc1cc(Cl)ccc1[O-] ZINC000516395265 503507120 /nfs/dbraw/zinc/50/71/20/503507120.db2.gz WVGVLYYJLQCWIK-UHFFFAOYSA-N -1 3 360.797 3.412 20 0 FGADHM O=S(=O)([N-]CC1(c2c(F)cccc2F)CCCC1)c1cncc(F)c1 ZINC000588905921 506376584 /nfs/dbraw/zinc/37/65/84/506376584.db2.gz CBUUGIQHTSPLLL-UHFFFAOYSA-N -1 3 370.396 3.289 20 0 FGADHM CCC(CC)(CNC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1)OC ZINC000494373017 503532513 /nfs/dbraw/zinc/53/25/13/503532513.db2.gz DFGGZXPKIOFCAI-UHFFFAOYSA-N -1 3 358.442 3.484 20 0 FGADHM CSc1ccccc1[C@@H](C)NC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000500053662 503542032 /nfs/dbraw/zinc/54/20/32/503542032.db2.gz JBTOFWXRIMUBOY-GFCCVEGCSA-N -1 3 364.492 3.271 20 0 FGADHM Cc1nc(C)c(CC(=O)Nc2ccc(OCC(F)(F)F)c(F)c2)c(=O)[n-]1 ZINC000504277403 503547469 /nfs/dbraw/zinc/54/74/69/503547469.db2.gz SNYZZYAQIRUMFT-UHFFFAOYSA-N -1 3 373.306 3.060 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)[C@H]1CCCN(C2CCC2)C1 ZINC000512454212 503557683 /nfs/dbraw/zinc/55/76/83/503557683.db2.gz PUMKJNCTFLLVBK-OLZOCXBDSA-N -1 3 374.909 3.410 20 0 FGADHM O=C(NCc1ccc([O-])c(Br)c1)NC1CC(C(F)(F)F)C1 ZINC000500159642 503567329 /nfs/dbraw/zinc/56/73/29/503567329.db2.gz VEKMLPCGYOWPHQ-UHFFFAOYSA-N -1 3 367.165 3.295 20 0 FGADHM COc1cccc(C2(F)CCN([C@@H](C)C(=O)[N-]c3cc(C)no3)CC2)c1 ZINC000500172330 503570859 /nfs/dbraw/zinc/57/08/59/503570859.db2.gz QCVKSENHGJCOFD-AWEZNQCLSA-N -1 3 361.417 3.279 20 0 FGADHM COc1ccc(-c2nc(-c3ccc4n[n-]nc4c3)no2)cc1OC(F)F ZINC000516699032 503572205 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/nfs/dbraw/zinc/32/98/14/504329814.db2.gz NMHUGUCMDCYUNB-RYUDHWBXSA-N -1 3 364.467 3.416 20 0 FGADHM CCc1cccc(C(=O)N2CC[C@@H](C(=O)N(C)c3ccccc3)C2)c1[O-] ZINC000519797408 504341902 /nfs/dbraw/zinc/34/19/02/504341902.db2.gz HKVYDBICRUUZJT-MRXNPFEDSA-N -1 3 352.434 3.080 20 0 FGADHM Cc1cc([N-]S(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)cc2n[nH]cc21 ZINC000548149582 504348444 /nfs/dbraw/zinc/34/84/44/504348444.db2.gz UFKYALYZYWJLPP-SGTLLEGYSA-N -1 3 361.467 3.008 20 0 FGADHM O=C(NC[C@@H](CO)Cc1ccco1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000538746739 504354949 /nfs/dbraw/zinc/35/49/49/504354949.db2.gz XEASFCUSFPDINL-SFHVURJKSA-N -1 3 365.429 3.157 20 0 FGADHM CCc1cccc(C(=O)N(CC)[C@@H]2CCN(c3ccccc3)C2=O)c1[O-] ZINC000538745744 504355345 /nfs/dbraw/zinc/35/53/45/504355345.db2.gz WNIGHTJDTTXIDQ-GOSISDBHSA-N -1 3 352.434 3.222 20 0 FGADHM O=S(=O)([N-]C[C@@H]1CCOc2ccccc21)c1cc(F)cc(Cl)c1 ZINC000535159645 504359040 /nfs/dbraw/zinc/35/90/40/504359040.db2.gz YJFBASAIHWLHAT-NSHDSACASA-N -1 3 355.818 3.324 20 0 FGADHM C[C@@]1(c2ccc(-c3noc(C4=CCCCCC4)n3)cc2)NC(=O)[N-]C1=O ZINC000519851747 504364678 /nfs/dbraw/zinc/36/46/78/504364678.db2.gz XAGZBZUZDDTCIO-IBGZPJMESA-N -1 3 352.394 3.139 20 0 FGADHM C[C@@H]1CC(F)(F)CCN1Cc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000528771105 504372543 /nfs/dbraw/zinc/37/25/43/504372543.db2.gz SENONRGCMFPVOG-GFCCVEGCSA-N -1 3 359.380 3.141 20 0 FGADHM O=C(Cc1cc(Cl)c2c(c1)OCCO2)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000519997849 504396905 /nfs/dbraw/zinc/39/69/05/504396905.db2.gz KJQSNMKIKMZWOI-UHFFFAOYSA-N -1 3 369.808 3.104 20 0 FGADHM CCOC(=O)c1ccc(NC(=O)c2coc(-c3ccccc3)n2)c([O-])c1 ZINC000538870223 504399952 /nfs/dbraw/zinc/39/99/52/504399952.db2.gz NYJXZZBOSAWNBP-UHFFFAOYSA-N -1 3 352.346 3.476 20 0 FGADHM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3cccc(F)c3F)cc2C[C@@H]1C ZINC000520038180 504402671 /nfs/dbraw/zinc/40/26/71/504402671.db2.gz MOCUYNJSOLUVTN-JTQLQIEISA-N -1 3 366.389 3.063 20 0 FGADHM O=C(c1cc([O-])cc(Br)c1)N1CCO[C@@H](c2cccs2)C1 ZINC000528831595 504404211 /nfs/dbraw/zinc/40/42/11/504404211.db2.gz HRYCGBMOUXORQO-CYBMUJFWSA-N -1 3 368.252 3.430 20 0 FGADHM Cc1ccc(C(=O)N[C@@H](CO)c2ccc(C(F)(F)F)cc2)c([O-])c1C ZINC000538926814 504419563 /nfs/dbraw/zinc/41/95/63/504419563.db2.gz JKEDNYDKOVNHBJ-HNNXBMFYSA-N -1 3 353.340 3.491 20 0 FGADHM COc1ccc(CN(C)C)cc1[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000548368779 504420272 /nfs/dbraw/zinc/42/02/72/504420272.db2.gz SBJXZGDDISEHIV-UHFFFAOYSA-N -1 3 360.435 3.304 20 0 FGADHM O=C(NCc1ccccc1CO)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000548370989 504420600 /nfs/dbraw/zinc/42/06/00/504420600.db2.gz ITIRECBAVBKWSG-UHFFFAOYSA-N -1 3 361.397 3.046 20 0 FGADHM C[C@@H](NC(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1)[C@H]1CCCOC1 ZINC000548376103 504422633 /nfs/dbraw/zinc/42/26/33/504422633.db2.gz OHTDEGIVZGFTIG-KDOFPFPSSA-N -1 3 353.418 3.168 20 0 FGADHM O=S(=O)([N-]c1cccc(-c2cc[nH]n2)c1)c1ccc2c(c1)CCCO2 ZINC000538940095 504422834 /nfs/dbraw/zinc/42/28/34/504422834.db2.gz HWUDCNRQDQEOCM-UHFFFAOYSA-N -1 3 355.419 3.203 20 0 FGADHM 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ZINC000539296406 504522265 /nfs/dbraw/zinc/52/22/65/504522265.db2.gz HUIWCYZDRGFTLT-UHFFFAOYSA-N -1 3 353.329 3.210 20 0 FGADHM C[C@H]1OCC[C@@H]1c1nc(Cc2nc(=O)c3c(C4CC4)csc3[n-]2)no1 ZINC000545573577 504530716 /nfs/dbraw/zinc/53/07/16/504530716.db2.gz XQZIPACCVLAHRL-SCZZXKLOSA-N -1 3 358.423 3.141 20 0 FGADHM C[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)N1CCCC1 ZINC000548698324 504532607 /nfs/dbraw/zinc/53/26/07/504532607.db2.gz TUGJFIJXCLOSME-SNVBAGLBSA-N -1 3 370.824 3.121 20 0 FGADHM Cc1ccc(Cc2nc(-c3ccc([N-]S(C)(=O)=O)cc3)no2)cc1C ZINC000545604051 504539535 /nfs/dbraw/zinc/53/95/35/504539535.db2.gz AJRWYOGPTYIWBP-UHFFFAOYSA-N -1 3 357.435 3.316 20 0 FGADHM CSc1cccc(NC(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)c1C ZINC000539369141 504543622 /nfs/dbraw/zinc/54/36/22/504543622.db2.gz OKRAVNJIPTWIDC-UHFFFAOYSA-N -1 3 368.455 3.480 20 0 FGADHM CC(C)C[C@]1(CO)CCCN1C(=O)c1cc([O-])cc(Br)c1 ZINC000529134484 504548249 /nfs/dbraw/zinc/54/82/49/504548249.db2.gz ARQXTINBBYICFM-INIZCTEOSA-N -1 3 356.260 3.168 20 0 FGADHM Cc1nc(-c2ccc(NC(=O)NCC3([C@@H](O)C(C)C)CC3)cc2)cc(=O)[n-]1 ZINC000539385209 504550444 /nfs/dbraw/zinc/55/04/44/504550444.db2.gz OTMSOHRMCQEVSH-SFHVURJKSA-N -1 3 370.453 3.076 20 0 FGADHM CCN(CC)[C@H](CNC(=O)N=c1cc2ccccn2[n-]1)c1ccsc1 ZINC000548772616 504561201 /nfs/dbraw/zinc/56/12/01/504561201.db2.gz VHLGKTFTAKCGEQ-MRXNPFEDSA-N -1 3 357.483 3.022 20 0 FGADHM CCCCSc1ccc(Cl)cc1C(=O)NCCc1c(C)[n-][nH]c1=O ZINC000542661099 504567743 /nfs/dbraw/zinc/56/77/43/504567743.db2.gz WXENYLCBTRWMLZ-ZDUSSCGKSA-N -1 3 367.902 3.474 20 0 FGADHM O=S(=O)([N-][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1cc(F)cc(Cl)c1 ZINC000535907381 504578858 /nfs/dbraw/zinc/57/88/58/504578858.db2.gz QYYZCKDOFAAGQA-ZNMIVQPWSA-N -1 3 359.850 3.105 20 0 FGADHM COc1cc(C(=O)Nc2cccc(-c3nccc(C)n3)c2)cc(OC)c1[O-] ZINC000545853249 504616547 /nfs/dbraw/zinc/61/65/47/504616547.db2.gz FCMBCJSUNWDGCS-UHFFFAOYSA-N -1 3 365.389 3.427 20 0 FGADHM CC[C@@H](NC(=O)c1c[n-]c2cc(OC)ccc2c1=O)c1c(C)noc1C ZINC000536081029 504627213 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Cc1cc(C)nc(-n2cc(C(=O)Nc3cc(F)ccc3[O-])c(C(C)C)n2)n1 ZINC000536211884 504667253 /nfs/dbraw/zinc/66/72/53/504667253.db2.gz CFYOGLAVIZWYRN-UHFFFAOYSA-N -1 3 369.400 3.500 20 0 FGADHM C[C@H](C[N-]S(=O)(=O)c1cc(F)ccc1Cl)N(C)Cc1ccccc1 ZINC000521170324 504668661 /nfs/dbraw/zinc/66/86/61/504668661.db2.gz LIKLMZYYSOECTJ-CYBMUJFWSA-N -1 3 370.877 3.278 20 0 FGADHM CC[C@@H](C)n1nc(C(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)cc1C ZINC000539754656 504675123 /nfs/dbraw/zinc/67/51/23/504675123.db2.gz GWUYWWRIYHTJQE-CYBMUJFWSA-N -1 3 365.437 3.474 20 0 FGADHM Cc1cc(C(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)[n-]c(=O)n1 ZINC000536237043 504676902 /nfs/dbraw/zinc/67/69/02/504676902.db2.gz DNGLQUKNOKXXDV-UHFFFAOYSA-N -1 3 374.853 3.240 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2cc(OC)c(OC)cc2C)c(C)c1F ZINC000543022329 504694726 /nfs/dbraw/zinc/69/47/26/504694726.db2.gz ZHLCYCNSLKGCEX-UHFFFAOYSA-N -1 3 369.414 3.269 20 0 FGADHM COC(=O)C1(NCc2nc3c4ccccc4oc3c(=O)[n-]2)CCCCC1 ZINC000532571763 504696607 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CCOC(=O)c1nc(C)[n-]c1NC(=O)Cc1cccc2ccc(OC)cc21 ZINC000532810233 504763155 /nfs/dbraw/zinc/76/31/55/504763155.db2.gz ZNGXKGRIBSKDID-UHFFFAOYSA-N -1 3 367.405 3.238 20 0 FGADHM CCOC(=O)c1ccc(NC(=O)c2ccc(NC(=O)C(C)C)cc2)c([O-])c1 ZINC000536617099 504770341 /nfs/dbraw/zinc/77/03/41/504770341.db2.gz PJGJDQAODZDQCE-UHFFFAOYSA-N -1 3 370.405 3.416 20 0 FGADHM CCN(CC)[C@@H](C[N-]S(=O)(=O)c1ccccn1)c1ccccc1Cl ZINC000555963882 504773629 /nfs/dbraw/zinc/77/36/29/504773629.db2.gz XVCHVTREUFMMER-INIZCTEOSA-N -1 3 367.902 3.096 20 0 FGADHM O=C(N[C@@H]1CCC[C@H](c2nc3ccccc3[nH]2)C1)c1ccc2n[n-]nc2c1 ZINC000565027884 504774864 /nfs/dbraw/zinc/77/48/64/504774864.db2.gz BNHBAJGNFCXAST-GXTWGEPZSA-N -1 3 360.421 3.290 20 0 FGADHM COc1ccc2c(c1)[n-]cc(C(=O)N1CCC(C)=C(c3ccco3)C1)c2=O ZINC000559077865 504776804 /nfs/dbraw/zinc/77/68/04/504776804.db2.gz IWRUJZIVNCEJOA-UHFFFAOYSA-N -1 3 364.401 3.449 20 0 FGADHM O=C(c1cc(=O)c2cc(Br)ccc2[n-]1)N1CC(C2CCC2)C1 ZINC000552889024 504782651 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C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)c1cc(F)cc2[n-]nnc21 ZINC000554584495 505213432 /nfs/dbraw/zinc/21/34/32/505213432.db2.gz LQUAHHDHNUVGGQ-QFYYESIMSA-N -1 3 374.803 3.353 20 0 FGADHM C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)c1cc(F)cc2nn[n-]c21 ZINC000554584495 505213437 /nfs/dbraw/zinc/21/34/37/505213437.db2.gz LQUAHHDHNUVGGQ-QFYYESIMSA-N -1 3 374.803 3.353 20 0 FGADHM C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)c1cc(F)cc2n[n-]nc21 ZINC000554584495 505213441 /nfs/dbraw/zinc/21/34/41/505213441.db2.gz LQUAHHDHNUVGGQ-QFYYESIMSA-N -1 3 374.803 3.353 20 0 FGADHM CC(C)(NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)c1cccc(Cl)c1F ZINC000566595651 505216435 /nfs/dbraw/zinc/21/64/35/505216435.db2.gz ISLYAYTYUISBDD-UHFFFAOYSA-N -1 3 360.772 3.028 20 0 FGADHM COC[C@](C)(NCc1cc(Br)cc(C(F)(F)F)c1)C(=O)[O-] ZINC000551422960 505222979 /nfs/dbraw/zinc/22/29/79/505222979.db2.gz LTVMUMYMLXMDKY-LBPRGKRZSA-N -1 3 370.165 3.047 20 0 FGADHM O=C(N=c1cc2ccccn2[n-]1)N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000563742672 505226395 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O=C(NC[C@@]1(CO)C[C@@H]1c1ccccc1)c1cc([O-])ccc1C(F)(F)F ZINC000566769653 505267281 /nfs/dbraw/zinc/26/72/81/505267281.db2.gz MEZVXVKXBIUARS-SJLPKXTDSA-N -1 3 365.351 3.307 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F)c1cscn1 ZINC000563974702 505292037 /nfs/dbraw/zinc/29/20/37/505292037.db2.gz BGMUGNJOZUESPZ-SSDOTTSWSA-N -1 3 370.349 3.220 20 0 FGADHM O=C([N-]c1nncn1-c1cccnc1)c1coc(-c2ccccc2Cl)n1 ZINC000566876159 505297701 /nfs/dbraw/zinc/29/77/01/505297701.db2.gz BXTCEKPKQNWBCQ-UHFFFAOYSA-N -1 3 366.768 3.223 20 0 FGADHM CN(C)C[C@H]([N-]S(=O)(=O)c1cccc(F)c1F)c1ccc(Cl)cc1 ZINC000554915894 505298845 /nfs/dbraw/zinc/29/88/45/505298845.db2.gz DFBXACWBCJHJFN-AWEZNQCLSA-N -1 3 374.840 3.199 20 0 FGADHM C[C@@H]1C[C@H]1C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC000558080931 505303110 /nfs/dbraw/zinc/30/31/10/505303110.db2.gz DPTJKJDGSXONEA-SFYZADRCSA-N -1 3 372.206 3.402 20 0 FGADHM CC(C)NC(=O)c1ccc([N-]S(=O)(=O)[C@@H]2C[C@H]2c2ccccc2)cc1 ZINC000564058655 505314622 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C[C@@H]1CCN(C(=O)c2c[n-]c3ccncc3c2=O)[C@@H]1c1cccc(F)c1 ZINC000567089499 505360669 /nfs/dbraw/zinc/36/06/69/505360669.db2.gz CDGVNXHSQDRAFD-XIKOKIGWSA-N -1 3 351.381 3.286 20 0 FGADHM COC(=O)c1ccc(C[N-]S(=O)(=O)c2ccccc2-c2ccccc2)o1 ZINC000561591418 505385214 /nfs/dbraw/zinc/38/52/14/505385214.db2.gz WPNILLAGNHQJGH-UHFFFAOYSA-N -1 3 371.414 3.212 20 0 FGADHM O=S(=O)([N-]CC1(c2ccccn2)CCC1)c1cccc(Cl)c1F ZINC000552127332 505408673 /nfs/dbraw/zinc/40/86/73/505408673.db2.gz AOBRGNZOKPRGRO-UHFFFAOYSA-N -1 3 354.834 3.274 20 0 FGADHM O=S(=O)([N-]CC(F)(F)F)c1ccc2cc(Br)ccc2c1 ZINC000567272648 505414952 /nfs/dbraw/zinc/41/49/52/505414952.db2.gz PYJQNDXGCQGGTM-UHFFFAOYSA-N -1 3 368.174 3.443 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)C1(c2ccccc2F)CCCC1 ZINC000552160321 505418581 /nfs/dbraw/zinc/41/85/81/505418581.db2.gz KHCHKLZDGJAUCV-UHFFFAOYSA-N -1 3 351.385 3.456 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)C1(c2ccccc2F)CCCC1 ZINC000552160321 505418584 /nfs/dbraw/zinc/41/85/84/505418584.db2.gz KHCHKLZDGJAUCV-UHFFFAOYSA-N -1 3 351.385 3.456 20 0 FGADHM C[C@@H]1C[C@H]1N1CCN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)C[C@@H](C)C1 ZINC000561762968 505431217 /nfs/dbraw/zinc/43/12/17/505431217.db2.gz RXTYHXIJWCCLCR-OGHNNQOOSA-N -1 3 373.884 3.396 20 0 FGADHM O=c1[nH]cccc1[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000558591322 505432412 /nfs/dbraw/zinc/43/24/12/505432412.db2.gz PLRYHJULCSXYDV-UHFFFAOYSA-N -1 3 363.620 3.004 20 0 FGADHM CC[C@H](C)[C@H](NC(=O)c1cc(F)cc2nn[n-]c21)c1nc2ccccc2[nH]1 ZINC000558624665 505443865 /nfs/dbraw/zinc/44/38/65/505443865.db2.gz KLNIFRRUZCLALU-QFYYESIMSA-N -1 3 366.400 3.491 20 0 FGADHM CC[C@H](C)[C@H](NC(=O)c1cc(F)cc2[n-]nnc21)c1nc2ccccc2[nH]1 ZINC000558624665 505443869 /nfs/dbraw/zinc/44/38/69/505443869.db2.gz KLNIFRRUZCLALU-QFYYESIMSA-N -1 3 366.400 3.491 20 0 FGADHM CC[C@H](C)[C@H](NC(=O)c1cc(F)cc2n[n-]nc21)c1nc2ccccc2[nH]1 ZINC000558624665 505443873 /nfs/dbraw/zinc/44/38/73/505443873.db2.gz KLNIFRRUZCLALU-QFYYESIMSA-N -1 3 366.400 3.491 20 0 FGADHM CC[C@@H](C)c1nc([C@H](C)[N-]S(=O)(=O)c2cc(C)c(Cl)s2)n[nH]1 ZINC000555514536 505444408 /nfs/dbraw/zinc/44/44/08/505444408.db2.gz DYHWKJJMEJARMX-APPZFPTMSA-N -1 3 362.908 3.381 20 0 FGADHM O=C1CCCN1c1ccccc1[N-]S(=O)(=O)Cc1cccc(Cl)c1 ZINC000555529374 505447425 /nfs/dbraw/zinc/44/74/25/505447425.db2.gz AUUNMQRFVGCBFK-UHFFFAOYSA-N -1 3 364.854 3.409 20 0 FGADHM CC(=O)c1cccc(NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c1[O-] ZINC000552286357 505451160 /nfs/dbraw/zinc/45/11/60/505451160.db2.gz NPEQLHAVKSCOLG-LBPRGKRZSA-N -1 3 372.808 3.240 20 0 FGADHM CCSc1cccc([N-]S(=O)(=O)CC2(C(=O)OC)CCCC2)c1 ZINC000567435704 505460936 /nfs/dbraw/zinc/46/09/36/505460936.db2.gz WSZJOIZIPTUMDI-UHFFFAOYSA-N -1 3 357.497 3.274 20 0 FGADHM C[C@H](O)[C@H]([N-]S(=O)(=O)CCc1cccc(Cl)c1)c1ccccc1F ZINC000567477364 505476111 /nfs/dbraw/zinc/47/61/11/505476111.db2.gz OFBOIIKDZGSIMS-SJCJKPOMSA-N -1 3 371.861 3.063 20 0 FGADHM O=S(=O)(Cc1ncc(-c2cccc(Cl)c2)o1)c1nc2c([n-]1)CCC2 ZINC000555617898 505476550 /nfs/dbraw/zinc/47/65/50/505476550.db2.gz JDAJCLNFYQQXQB-UHFFFAOYSA-N -1 3 363.826 3.181 20 0 FGADHM Cn1cc(Nc2cccc(NC(=O)c3n[n-]nc3-c3ccccc3)c2)cn1 ZINC000558757427 505484834 /nfs/dbraw/zinc/48/48/34/505484834.db2.gz HRMXMOCWJOWLKF-UHFFFAOYSA-N -1 3 359.393 3.201 20 0 FGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]CCC1C[C@@H](C)O[C@H](C)C1 ZINC000558777401 505489937 /nfs/dbraw/zinc/48/99/37/505489937.db2.gz RXAQIKUIEPICSD-VXGBXAGGSA-N -1 3 361.891 3.221 20 0 FGADHM Cc1ccc(CN2C[C@@H](C(=O)Nc3c([O-])cccc3Cl)CC2=O)cc1 ZINC000552435479 505490939 /nfs/dbraw/zinc/49/09/39/505490939.db2.gz JBZAQHTZETVILH-AWEZNQCLSA-N -1 3 358.825 3.341 20 0 FGADHM COc1ccc(C(=O)N[C@H]2c3ccccc3CC23CCOCC3)c([O-])c1 ZINC000564698628 505495136 /nfs/dbraw/zinc/49/51/36/505495136.db2.gz OSHOALRMDKVIML-IBGZPJMESA-N -1 3 353.418 3.225 20 0 FGADHM COc1cccc(C(=O)N2CCC(Oc3cncc(Cl)c3)CC2)c1[O-] ZINC000552474014 505499268 /nfs/dbraw/zinc/49/92/68/505499268.db2.gz MPFQRWCNAXQFDC-UHFFFAOYSA-N -1 3 362.813 3.133 20 0 FGADHM Cc1occc1-c1noc(-c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)n1 ZINC000564762494 505512388 /nfs/dbraw/zinc/51/23/88/505512388.db2.gz YBSVSRJPRYMPGM-UHFFFAOYSA-N -1 3 365.386 3.131 20 0 FGADHM CC(C)c1noc(Cc2ccc(NC(=O)c3cccc4nn[n-]c43)cc2)n1 ZINC000558907930 505527263 /nfs/dbraw/zinc/52/72/63/505527263.db2.gz OYKCPRWRLZBLDJ-UHFFFAOYSA-N -1 3 362.393 3.307 20 0 FGADHM CC(C)c1noc(Cc2ccc(NC(=O)c3cccc4[n-]nnc43)cc2)n1 ZINC000558907930 505527268 /nfs/dbraw/zinc/52/72/68/505527268.db2.gz OYKCPRWRLZBLDJ-UHFFFAOYSA-N -1 3 362.393 3.307 20 0 FGADHM CC(C)c1noc(Cc2ccc(NC(=O)c3cccc4n[n-]nc43)cc2)n1 ZINC000558907930 505527271 /nfs/dbraw/zinc/52/72/71/505527271.db2.gz OYKCPRWRLZBLDJ-UHFFFAOYSA-N -1 3 362.393 3.307 20 0 FGADHM Cc1ncc([N-]S(=O)(=O)CCc2ccc(Cl)cc2)c(C2CC2)n1 ZINC000564831045 505532172 /nfs/dbraw/zinc/53/21/72/505532172.db2.gz UGZDMUZMVAIKLC-UHFFFAOYSA-N -1 3 351.859 3.300 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N[C@H]1CC12CC2 ZINC000567704385 505543004 /nfs/dbraw/zinc/54/30/04/505543004.db2.gz IWWHYJHYTRCTJB-KRWDZBQOSA-N -1 3 374.437 3.217 20 0 FGADHM CC(C)COc1cccc([N-]S(=O)(=O)CCOCC(F)(F)F)c1 ZINC000562226957 505544966 /nfs/dbraw/zinc/54/49/66/505544966.db2.gz LUZRJBBTFDLART-UHFFFAOYSA-N -1 3 355.378 3.042 20 0 FGADHM Cc1cccc(C)c1CS(=O)(=O)[N-][C@@H](C)c1nc(C(C)(C)C)no1 ZINC000559050860 505557514 /nfs/dbraw/zinc/55/75/14/505557514.db2.gz QNACNPQRTVRVSW-ZDUSSCGKSA-N -1 3 351.472 3.165 20 0 FGADHM Cc1cc(C)cc(-c2cc(=NC(=O)c3ccc(N4CCCC4)nc3)[nH][n-]2)c1 ZINC000589166079 506465886 /nfs/dbraw/zinc/46/58/86/506465886.db2.gz PZVAVKDLEDZIEN-UHFFFAOYSA-N -1 3 361.449 3.363 20 0 FGADHM Cc1ccc(CN(CCC(=O)[O-])C[C@H]2CCCO2)cc1Br ZINC000582909598 506485164 /nfs/dbraw/zinc/48/51/64/506485164.db2.gz PKEWFCHCUDFPAR-CQSZACIVSA-N -1 3 356.260 3.213 20 0 FGADHM O=S(=O)([N-]c1c(O)cccc1F)c1ccc(OCC(F)(F)F)cc1 ZINC000608342155 506516253 /nfs/dbraw/zinc/51/62/53/506516253.db2.gz MSLXPGCPWXCIMA-UHFFFAOYSA-N -1 3 365.304 3.273 20 0 FGADHM CCc1c(C(=O)Nc2nnc(-c3ccccn3)[n-]2)cnn1-c1ccc(C)cc1 ZINC000608353447 506521037 /nfs/dbraw/zinc/52/10/37/506521037.db2.gz DJVXNGPNWAMETM-UHFFFAOYSA-N -1 3 373.420 3.176 20 0 FGADHM CCc1c(C(=O)Nc2nc(-c3ccccn3)n[n-]2)cnn1-c1ccc(C)cc1 ZINC000608353447 506521046 /nfs/dbraw/zinc/52/10/46/506521046.db2.gz DJVXNGPNWAMETM-UHFFFAOYSA-N -1 3 373.420 3.176 20 0 FGADHM CCc1c(C(=O)Nc2n[n-]c(-c3ccccn3)n2)cnn1-c1ccc(C)cc1 ZINC000608353447 506521052 /nfs/dbraw/zinc/52/10/52/506521052.db2.gz DJVXNGPNWAMETM-UHFFFAOYSA-N -1 3 373.420 3.176 20 0 FGADHM COc1ccc(OCCCS(=O)(=O)[N-]c2cccc3c2ccn3C)cc1 ZINC000589436354 506548574 /nfs/dbraw/zinc/54/85/74/506548574.db2.gz FUESJNPRUWDYBK-UHFFFAOYSA-N -1 3 374.462 3.398 20 0 FGADHM COC(=O)c1cccc(NC2CCN(C(=O)c3c(C)cccc3[O-])CC2)c1 ZINC000599700911 506591282 /nfs/dbraw/zinc/59/12/82/506591282.db2.gz XFZHJCXUONJTQL-UHFFFAOYSA-N -1 3 368.433 3.204 20 0 FGADHM COC[C@@]1(C(=O)[O-])CCN([C@H](C)c2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000583146589 506615081 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355.456 3.176 20 0 FGADHM COc1cccc(S(=O)(=O)[N-]Cc2ccc(F)cc2CSC)c1F ZINC000594463250 507143140 /nfs/dbraw/zinc/14/31/40/507143140.db2.gz LUBBKQXNEXECLJ-UHFFFAOYSA-N -1 3 373.446 3.315 20 0 FGADHM C[C@@H]1CCN(C(=O)[C@@H](CS(C)(=O)=O)c2ccccc2)c2c([O-])cccc21 ZINC000613576831 507163476 /nfs/dbraw/zinc/16/34/76/507163476.db2.gz MEZMJHUOHXRSSE-PBHICJAKSA-N -1 3 373.474 3.061 20 0 FGADHM CC(C)(C)OC(=O)c1cncc([N-]S(=O)(=O)Cc2cccc(F)c2)c1 ZINC000594581952 507193881 /nfs/dbraw/zinc/19/38/81/507193881.db2.gz KJGMYRJIPCZYCO-UHFFFAOYSA-N -1 3 366.414 3.118 20 0 FGADHM CC(C)(C)OC(=O)[C@@H](Cc1ccncc1)N=c1[n-]c(C(F)(F)F)cs1 ZINC000594599682 507203317 /nfs/dbraw/zinc/20/33/17/507203317.db2.gz NETRIHOCMRXVCE-LLVKDONJSA-N -1 3 373.400 3.344 20 0 FGADHM CCc1cccc(CC)c1S(=O)(=O)[N-]c1ccc2c(c1)NC(=O)[C@H](C)O2 ZINC000605496840 507216190 /nfs/dbraw/zinc/21/61/90/507216190.db2.gz WWRJXGPUUWYZIF-LBPRGKRZSA-N -1 3 374.462 3.332 20 0 FGADHM Cc1noc(C)c1S(=O)(=O)[N-]C1(C(C)(C)c2ccc(F)cc2)CC1 ZINC000584273439 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C[C@H]1Oc2ccccc2[C@H]1[N-]S(=O)(=O)c1ccccc1-c1ccno1 ZINC000584343195 507291959 /nfs/dbraw/zinc/29/19/59/507291959.db2.gz CXPSIDAXSDXMPH-XIKOKIGWSA-N -1 3 356.403 3.142 20 0 FGADHM C[C@H](NC(=O)CN1CC[C@@H](C)[C@@H](C(=O)[O-])C1)c1ccc(Cl)cc1Cl ZINC000584350622 507297064 /nfs/dbraw/zinc/29/70/64/507297064.db2.gz UUXGXZOUDWAMNM-SUNKGSAMSA-N -1 3 373.280 3.213 20 0 FGADHM COC(=O)C(C)(C)CS(=O)(=O)[N-]c1ccc(Cl)c(C(F)(F)F)c1 ZINC000584372118 507309145 /nfs/dbraw/zinc/30/91/45/507309145.db2.gz JNLLCBVBZHIGKU-UHFFFAOYSA-N -1 3 373.780 3.300 20 0 FGADHM C[C@@H]1CCN(C(=O)c2cc(C(=O)OC(C)(C)C)nn2C)c2c([O-])cccc21 ZINC000601453508 507365364 /nfs/dbraw/zinc/36/53/64/507365364.db2.gz LQHWTQIIPZBUIK-GFCCVEGCSA-N -1 3 371.437 3.235 20 0 FGADHM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]CC[C@H](C)[S@](C)=O)c1Cl ZINC000610802639 507395354 /nfs/dbraw/zinc/39/53/54/507395354.db2.gz PKSNNLOVAXMKBS-LXGOIASLSA-N -1 3 372.339 3.046 20 0 FGADHM COC(=O)c1ccc(C(=O)Nc2ccc(Br)cc2[O-])cc1F ZINC000610874202 507425288 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FGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]CC(C)(C)CC(F)(F)F ZINC000595416373 507486944 /nfs/dbraw/zinc/48/69/44/507486944.db2.gz AWCUOWYHARVMSS-UHFFFAOYSA-N -1 3 373.418 3.100 20 0 FGADHM CN(CCOc1ccccc1Cl)C(=O)NCc1ccc([O-])c(F)c1 ZINC000606720534 507492763 /nfs/dbraw/zinc/49/27/63/507492763.db2.gz SCUKSVPZNMFXAK-UHFFFAOYSA-N -1 3 352.793 3.405 20 0 FGADHM CCc1cccc(C(=O)N2CCC(CO)(Cc3ccccc3)CC2)c1[O-] ZINC000584819040 507521223 /nfs/dbraw/zinc/52/12/23/507521223.db2.gz KPMFONIGOHGPKO-UHFFFAOYSA-N -1 3 353.462 3.412 20 0 FGADHM O=C(N[C@]1(Cc2ccc(Cl)cc2)CCOC1)c1ccc2[nH][n-]c(=O)c2c1 ZINC000614497679 507542768 /nfs/dbraw/zinc/54/27/68/507542768.db2.gz CYJVAFNWPIGGLD-IBGZPJMESA-N -1 3 371.824 3.054 20 0 FGADHM CCOC(=O)c1ccc(CNC(=O)c2cc([O-])cc(C(F)(F)F)c2)o1 ZINC000598691370 507555675 /nfs/dbraw/zinc/55/56/75/507555675.db2.gz PBXSOKZDUGUMEO-UHFFFAOYSA-N -1 3 357.284 3.111 20 0 FGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccc(N(C)C)nc2)c1Cl ZINC000614605814 507583993 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/nfs/dbraw/zinc/76/22/28/507762228.db2.gz LTSCGTFTEMEQBJ-UHFFFAOYSA-N -1 3 357.753 3.028 20 0 FGADHM COC(=O)c1cc(Cl)cc(NC(=O)[C@@H]2CCN(C)c3ccccc32)c1[O-] ZINC000588100888 507762274 /nfs/dbraw/zinc/76/22/74/507762274.db2.gz OMYLORBEPWXRKK-CYBMUJFWSA-N -1 3 374.824 3.394 20 0 FGADHM COC(=O)c1cc(Cl)cc(NC(=O)[C@H](C)c2ncccc2F)c1[O-] ZINC000588099815 507763043 /nfs/dbraw/zinc/76/30/43/507763043.db2.gz BUNLTNASACPZSB-MRVPVSSYSA-N -1 3 352.749 3.109 20 0 FGADHM COC(=O)c1cc(Cl)cc(NC(=O)Cc2ccc(C)c(OC)c2)c1[O-] ZINC000588100990 507763088 /nfs/dbraw/zinc/76/30/88/507763088.db2.gz SAEAOUTTWFPQNL-UHFFFAOYSA-N -1 3 363.797 3.330 20 0 FGADHM O=S(=O)([N-]Cc1ccc(F)cc1C(F)(F)F)c1ccccc1F ZINC000615224177 507780501 /nfs/dbraw/zinc/78/05/01/507780501.db2.gz ODNXSQKOTGOQOW-UHFFFAOYSA-N -1 3 351.296 3.462 20 0 FGADHM Cn1[n-]c(=NC(=O)C2(CCOCc3ccccc3)CC2)cc1OC(F)F ZINC000490955971 515341236 /nfs/dbraw/zinc/34/12/36/515341236.db2.gz QXWJNXQBYPHYNZ-UHFFFAOYSA-N -1 3 365.380 3.347 20 0 FGADHM Cn1[n-]c(=NC(=O)Cc2c[nH]c3cc(Cl)ccc23)cc1OC(F)F ZINC000490974558 515345248 /nfs/dbraw/zinc/34/52/48/515345248.db2.gz TWKOZBPYAZCPFO-UHFFFAOYSA-N -1 3 354.744 3.337 20 0 FGADHM Cn1[n-]c(=NC(=O)c2csc(Br)c2)cc1OC(F)F ZINC000491037021 515363295 /nfs/dbraw/zinc/36/32/95/515363295.db2.gz PRSGHFXBIYDKEK-UHFFFAOYSA-N -1 3 352.160 3.098 20 0 FGADHM Cn1[n-]c(=NC(=O)[C@H]2C[C@@H]2c2cc(F)c(F)c(F)c2)cc1OC(F)F ZINC000491071718 515372439 /nfs/dbraw/zinc/37/24/39/515372439.db2.gz XXIDZGDOZSGUJD-SFYZADRCSA-N -1 3 361.270 3.181 20 0 FGADHM Cc1cc(C)cc(-c2n[n-]c(=NC(=O)N[C@@H]3CCCN(C)[C@@H]3C)s2)c1 ZINC000481966705 515530268 /nfs/dbraw/zinc/53/02/68/515530268.db2.gz HVSCMQCJELDYJL-UKRRQHHQSA-N -1 3 359.499 3.426 20 0 FGADHM CO[C@@H]1CCCC[C@@H]1NC(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482106202 515577491 /nfs/dbraw/zinc/57/74/91/515577491.db2.gz SQEHOGXOLOREOS-QWHCGFSZSA-N -1 3 367.247 3.176 20 0 FGADHM CO[C@H](CNC(=O)N=c1cc2ccc(Br)cn2[n-]1)C(C)(C)C ZINC000482201670 515606672 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FGADHM Cn1[n-]c(=NC(=O)c2cnc3c(F)ccc(F)c3c2)cc1OC(F)F ZINC000501526889 516140099 /nfs/dbraw/zinc/14/00/99/516140099.db2.gz DEJRBENIENRJAL-UHFFFAOYSA-N -1 3 354.263 3.100 20 0 FGADHM C[C@@H]1CN(Cc2ccccc2)[C@@H](C)CN1C(=O)c1csc(=NC2CC2)[n-]1 ZINC000501861437 516245640 /nfs/dbraw/zinc/24/56/40/516245640.db2.gz KBIBCAXPZPRJMZ-LSDHHAIUSA-N -1 3 370.522 3.452 20 0 FGADHM COc1cc(OC2CC2)ccc1C(=O)N=c1cc(-c2ccncc2)[n-][nH]1 ZINC000484054221 516288011 /nfs/dbraw/zinc/28/80/11/516288011.db2.gz DEFZCNQSYHFUPC-UHFFFAOYSA-N -1 3 350.378 3.274 20 0 FGADHM O[C@H]1C[C@@H](CN=c2[n-]nc(-c3ccccc3)s2)N(Cc2ccccc2)C1 ZINC000535512195 516381321 /nfs/dbraw/zinc/38/13/21/516381321.db2.gz WSGLHGFGCZBHGP-ROUUACIJSA-N -1 3 366.490 3.252 20 0 FGADHM COc1ccc(C(=O)N=c2cc(-c3cc(Cl)ccc3OC)[n-][nH]2)cn1 ZINC000512854552 516387187 /nfs/dbraw/zinc/38/71/87/516387187.db2.gz KAUZNKHCMZULDC-UHFFFAOYSA-N -1 3 358.785 3.395 20 0 FGADHM O=C(C[C@@H]1CCC(=O)NC1)N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1 ZINC000517696571 516413471 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O=C(CNCC(F)(F)F)N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1 ZINC000519662768 517111794 /nfs/dbraw/zinc/11/17/94/517111794.db2.gz OBRMSKXVQOSHMN-UHFFFAOYSA-N -1 3 367.158 3.474 20 0 FGADHM CCSc1n[n-]c(=NC(=O)N(CCN(C)C)Cc2ccccc2)s1 ZINC000515108997 517213180 /nfs/dbraw/zinc/21/31/80/517213180.db2.gz SKBWMFSZCCZHSW-UHFFFAOYSA-N -1 3 365.528 3.246 20 0 FGADHM COc1ccccc1C(=O)C(=O)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1 ZINC000545458336 517248249 /nfs/dbraw/zinc/24/82/49/517248249.db2.gz SSJKKQMOPJVAJA-UHFFFAOYSA-N -1 3 357.316 3.185 20 0 FGADHM O=C(CCC(=O)c1ccc2c(c1)CCC2)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000527208789 517561655 /nfs/dbraw/zinc/56/16/55/517561655.db2.gz YWPMIEURQQAOCC-GOSISDBHSA-N -1 3 353.422 3.352 20 0 FGADHM COc1ccc(Br)c(C(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)c1 ZINC000527208761 517561849 /nfs/dbraw/zinc/56/18/49/517561849.db2.gz GWDXFYGDGQSGEP-CYBMUJFWSA-N -1 3 366.215 3.285 20 0 FGADHM CCCCc1n[n-]c(=NC(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)s1 ZINC000530461641 517791443 /nfs/dbraw/zinc/79/14/43/517791443.db2.gz ZILRGLGDSBMWDN-ZBFHGGJFSA-N -1 3 359.499 3.448 20 0 FGADHM Cc1cc(C)c(-c2cc(=NC(=O)CCC(=O)c3cnn(C)c3)[nH][n-]2)cc1C ZINC000530527820 517830849 /nfs/dbraw/zinc/83/08/49/517830849.db2.gz HPRDXYRWNGVHOZ-UHFFFAOYSA-N -1 3 365.437 3.337 20 0 FGADHM COC(C)(C)c1nc(C)c(C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)s1 ZINC000516822427 517856950 /nfs/dbraw/zinc/85/69/50/517856950.db2.gz RPYBBEVWAMZLGT-NSHDSACASA-N -1 3 350.444 3.160 20 0 FGADHM Cc1nc(C(=O)N=c2cc(-c3ccncc3)[n-][nH]2)c(Br)s1 ZINC000516883675 517891144 /nfs/dbraw/zinc/89/11/44/517891144.db2.gz GDCXHZZJWKYTPY-UHFFFAOYSA-N -1 3 364.228 3.251 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@H](C)C2CCOCC2)c1-c1ccc2c(c1)OCCO2 ZINC000534494314 517913658 /nfs/dbraw/zinc/91/36/58/517913658.db2.gz XLOVRZYMDHBCGZ-GFCCVEGCSA-N -1 3 371.437 3.158 20 0 FGADHM CCS[C@H]1CCCC[C@@H]1NC(=O)N=c1[n-]n(C)cc1Br ZINC000603044365 520044483 /nfs/dbraw/zinc/04/44/83/520044483.db2.gz PHJBREGUSGAWFU-QWRGUYRKSA-N -1 3 361.309 3.368 20 0 FGADHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)c1cccn2cc(C(F)(F)F)nc12 ZINC000616824457 520163707 /nfs/dbraw/zinc/16/37/07/520163707.db2.gz GUVDQXIOQMWYJU-LLVKDONJSA-N -1 3 365.315 3.180 20 0 FGADHM Cc1cc(C)c(-c2cc(=NC(=O)Cc3c(C)nc(C)[n-]c3=O)[nH][nH]2)cc1C ZINC000617357345 520454289 /nfs/dbraw/zinc/45/42/89/520454289.db2.gz JLXIQXNZKPVEEI-UHFFFAOYSA-N -1 3 365.437 3.296 20 0 FGADHM COC(=O)[C@H]1CCC[C@H](C(=O)N=c2[nH][n-]c(C)c2-c2ccc(F)cc2)C1 ZINC000600837499 520494489 /nfs/dbraw/zinc/49/44/89/520494489.db2.gz KDQCQZQIFJQSFF-KBPBESRZSA-N -1 3 359.401 3.442 20 0 FGADHM COC(=O)[C@H]1CC[C@H](C(=O)N=c2[nH][n-]c(C)c2-c2ccc(F)cc2)CC1 ZINC000600836526 520494992 /nfs/dbraw/zinc/49/49/92/520494992.db2.gz AABANOQHGFKKER-OKILXGFUSA-N -1 3 359.401 3.442 20 0 FGADHM O=C(N=c1cc(-c2ccncc2)[n-][nH]1)c1csc(Nc2ccccn2)n1 ZINC000605884036 520961916 /nfs/dbraw/zinc/96/19/16/520961916.db2.gz XDLFJKONCXOSFK-UHFFFAOYSA-N -1 3 363.406 3.319 20 0 FGADHM CC(=O)N[C@@H](CCC(C)C)C(=O)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1 ZINC000612300172 521566934 /nfs/dbraw/zinc/56/69/34/521566934.db2.gz BJMRMQPKCYFWQQ-HNNXBMFYSA-N -1 3 364.396 3.234 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)c2ccn(C3CCOCC3)n2)c1-c1ccccc1 ZINC000629954328 522544752 /nfs/dbraw/zinc/54/47/52/522544752.db2.gz LIYOSPUPYZQDPA-UHFFFAOYSA-N -1 3 351.410 3.185 20 0 FGADHM Cc1cn2c(n1)C[C@@H](C(=O)N=c1cc(-c3cccc(Cl)c3)[n-][nH]1)CC2 ZINC000629953733 522544977 /nfs/dbraw/zinc/54/49/77/522544977.db2.gz SHXZSAVQAMOVTO-ZDUSSCGKSA-N -1 3 355.829 3.436 20 0 FGADHM COc1nc(C)ccc1C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000511391514 561867689 /nfs/dbraw/zinc/86/76/89/561867689.db2.gz PMOFWRCWETXRPH-UHFFFAOYSA-N -1 3 361.199 3.061 20 0 FGADHM Cc1cc(C)cc(-c2cc(=NC(=O)Cn3ncc4ccccc4c3=O)[nH][n-]2)c1 ZINC000512536195 561908573 /nfs/dbraw/zinc/90/85/73/561908573.db2.gz PGNUOGSWGNLBAU-UHFFFAOYSA-N -1 3 373.416 3.042 20 0 FGADHM CNC(=O)c1ccc(=NC[C@@H](CC(C)C)N[C@H](C)c2ccccc2)[n-]n1 ZINC000470859086 560991960 /nfs/dbraw/zinc/99/19/60/560991960.db2.gz IRAJCWFIYRGLOX-NVXWUHKLSA-N -1 3 355.486 3.014 20 0 FGADHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)C(=O)Nc1csc2ccccc12 ZINC000472980468 561039371 /nfs/dbraw/zinc/03/93/71/561039371.db2.gz VZZFBRMLRRNONE-CYBMUJFWSA-N -1 3 356.407 3.053 20 0 FGADHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)c1nc(C(F)(F)F)n2c1CCCC2 ZINC000529516564 562376105 /nfs/dbraw/zinc/37/61/05/562376105.db2.gz FUJNDEQENZCGDL-LLVKDONJSA-N -1 3 369.347 3.065 20 0 FGADHM Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1csc(=NC2CC2)[n-]1 ZINC000531766012 562456000 /nfs/dbraw/zinc/45/60/00/562456000.db2.gz CVXZCXCJQBUAEI-UHFFFAOYSA-N -1 3 371.510 3.030 20 0 FGADHM CN1CC[C@H](N=c2ccc(C(=O)NC3CCCC3)n[n-]2)[C@@H]1c1ccccc1 ZINC000535358144 562556777 /nfs/dbraw/zinc/55/67/77/562556777.db2.gz HVHSPIVIEYUAOK-PXNSSMCTSA-N -1 3 365.481 3.006 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1cc(Br)cc2cccnc21)C1CCC1 ZINC000672392474 568271841 /nfs/dbraw/zinc/27/18/41/568271841.db2.gz AWPYQANFLZKAND-JTQLQIEISA-N -1 3 369.284 3.464 20 0 FGADHM C[C@H]1CN(C(=O)c2ccc3[nH][n-]c(=O)c3c2)C[C@@H](c2ccc(F)cc2)O1 ZINC000669182056 568308906 /nfs/dbraw/zinc/30/89/06/568308906.db2.gz DUKHJGDEGIXHPA-GTNSWQLSSA-N -1 3 355.369 3.010 20 0 FGADHM CCC(=O)c1ccc(Cl)c([N-]C(=O)c2cc(S(C)(=O)=O)c(C)o2)c1 ZINC000637198531 568590321 /nfs/dbraw/zinc/59/03/21/568590321.db2.gz DRRBGHBXLQRSGN-UHFFFAOYSA-N -1 3 369.826 3.490 20 0 FGADHM COc1ccc([C@@H]2C[C@H]2C(=O)Nc2cc(C)ccc2[N-]S(C)(=O)=O)cc1 ZINC000669205359 568649516 /nfs/dbraw/zinc/64/95/16/568649516.db2.gz WXJJQGRZJZYWPD-JKSUJKDBSA-N -1 3 374.462 3.117 20 0 FGADHM CCCCOCC(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000736461829 598835783 /nfs/dbraw/zinc/83/57/83/598835783.db2.gz ZBUNHIPEDKBSSD-UHFFFAOYSA-N -1 3 371.466 3.028 20 0 FGADHM CC(C)[C@@H](C)CNC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000735699625 598836551 /nfs/dbraw/zinc/83/65/51/598836551.db2.gz BHQIINNOMGMDPO-ZDUSSCGKSA-N -1 3 366.425 3.076 20 0 FGADHM CC(C)[C@@H](C)CNC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000735699625 598836553 /nfs/dbraw/zinc/83/65/53/598836553.db2.gz BHQIINNOMGMDPO-ZDUSSCGKSA-N -1 3 366.425 3.076 20 0 FGADHM C[C@H](NC(=O)c1cccc(-c2nnn[n-]2)c1)c1ncc(-c2ccccc2)o1 ZINC000736122047 598848135 /nfs/dbraw/zinc/84/81/35/598848135.db2.gz IDLCMCJIBVLZGE-LBPRGKRZSA-N -1 3 360.377 3.013 20 0 FGADHM C[C@H](NC(=O)c1cccc(-c2nn[n-]n2)c1)c1ncc(-c2ccccc2)o1 ZINC000736122047 598848136 /nfs/dbraw/zinc/84/81/36/598848136.db2.gz IDLCMCJIBVLZGE-LBPRGKRZSA-N -1 3 360.377 3.013 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)Nc1cccc2[nH]ccc21 ZINC000736635057 598850754 /nfs/dbraw/zinc/85/07/54/598850754.db2.gz SIDSNEGAEOSABH-UHFFFAOYSA-N -1 3 363.381 3.391 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)Nc1cccc2[nH]ccc21 ZINC000736635057 598850755 /nfs/dbraw/zinc/85/07/55/598850755.db2.gz SIDSNEGAEOSABH-UHFFFAOYSA-N -1 3 363.381 3.391 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H]1CC[C@H](C)C[C@H]1C ZINC000736637917 598850759 /nfs/dbraw/zinc/85/07/59/598850759.db2.gz UWSBKTLFRLLWES-OUCADQQQSA-N -1 3 358.446 3.212 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@H]1CC[C@H](C)C[C@H]1C ZINC000736637917 598850761 /nfs/dbraw/zinc/85/07/61/598850761.db2.gz UWSBKTLFRLLWES-OUCADQQQSA-N -1 3 358.446 3.212 20 0 FGADHM CCc1nc2ccccc2n1CCNc1c(F)cc(-c2nnn[n-]2)cc1F ZINC000736705731 598852715 /nfs/dbraw/zinc/85/27/15/598852715.db2.gz NEPCUIUIYDZBMN-UHFFFAOYSA-N -1 3 369.379 3.169 20 0 FGADHM CCc1nc2ccccc2n1CCNc1c(F)cc(-c2nn[n-]n2)cc1F ZINC000736705731 598852717 /nfs/dbraw/zinc/85/27/17/598852717.db2.gz NEPCUIUIYDZBMN-UHFFFAOYSA-N -1 3 369.379 3.169 20 0 FGADHM CCc1nc2ccccc2n1CCNc1ccc(-c2nn[n-]n2)cc1F ZINC000736704637 598853081 /nfs/dbraw/zinc/85/30/81/598853081.db2.gz ACGMLTHFKITILA-UHFFFAOYSA-N -1 3 351.389 3.030 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)OCc1ccc2ncccc2c1 ZINC000737801206 598857412 /nfs/dbraw/zinc/85/74/12/598857412.db2.gz MRVIBKHGWSTNMP-CSKARUKUSA-N -1 3 357.373 3.172 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)OCc1ccc2ncccc2c1 ZINC000737801206 598857413 /nfs/dbraw/zinc/85/74/13/598857413.db2.gz MRVIBKHGWSTNMP-CSKARUKUSA-N -1 3 357.373 3.172 20 0 FGADHM COC(=O)[C@@H](N[C@@H](C)c1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736899781 598857491 /nfs/dbraw/zinc/85/74/91/598857491.db2.gz ZWTGNZBNYCWEPP-ZBEGNZNMSA-N -1 3 371.828 3.085 20 0 FGADHM COC(=O)[C@@H](N[C@@H](C)c1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736899781 598857493 /nfs/dbraw/zinc/85/74/93/598857493.db2.gz ZWTGNZBNYCWEPP-ZBEGNZNMSA-N -1 3 371.828 3.085 20 0 FGADHM COC(=O)[C@H](N[C@@H](c1ccccc1)C(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736898619 598858873 /nfs/dbraw/zinc/85/88/73/598858873.db2.gz VONFXASUYCJBQL-QZTJIDSGSA-N -1 3 365.437 3.068 20 0 FGADHM COC(=O)[C@H](N[C@@H](c1ccccc1)C(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736898619 598858875 /nfs/dbraw/zinc/85/88/75/598858875.db2.gz VONFXASUYCJBQL-QZTJIDSGSA-N -1 3 365.437 3.068 20 0 FGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H](C)C1CCCC1 ZINC000736113324 598879394 /nfs/dbraw/zinc/87/93/94/598879394.db2.gz YEYJADVWVNCKOX-AWEZNQCLSA-N -1 3 356.474 3.365 20 0 FGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H](C)C1CCCC1 ZINC000736113324 598879395 /nfs/dbraw/zinc/87/93/95/598879395.db2.gz YEYJADVWVNCKOX-AWEZNQCLSA-N -1 3 356.474 3.365 20 0 FGADHM CC(C)[C@H](C)NC(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000735707501 598888303 /nfs/dbraw/zinc/88/83/03/598888303.db2.gz HTRBITXUEFPAJE-LBPRGKRZSA-N -1 3 370.482 3.439 20 0 FGADHM CC(=O)OCCCCSc1nc(-c2ccccc2)ccc1-c1nnn[n-]1 ZINC000735496615 598901712 /nfs/dbraw/zinc/90/17/12/598901712.db2.gz CVORTYXVCCFPDZ-UHFFFAOYSA-N -1 3 369.450 3.364 20 0 FGADHM CC(=O)OCCCCSc1nc(-c2ccccc2)ccc1-c1nn[n-]n1 ZINC000735496615 598901714 /nfs/dbraw/zinc/90/17/14/598901714.db2.gz CVORTYXVCCFPDZ-UHFFFAOYSA-N -1 3 369.450 3.364 20 0 FGADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCCCC[C@@H]1C ZINC000735734485 598906626 /nfs/dbraw/zinc/90/66/26/598906626.db2.gz LWADWISSVBNVPU-YOEHRIQHSA-N -1 3 357.458 3.061 20 0 FGADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCCCC[C@@H]1C ZINC000735734485 598906627 /nfs/dbraw/zinc/90/66/27/598906627.db2.gz LWADWISSVBNVPU-YOEHRIQHSA-N -1 3 357.458 3.061 20 0 FGADHM CSc1ccc(O[C@H](C)C(=O)N(C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737189318 598911402 /nfs/dbraw/zinc/91/14/02/598911402.db2.gz FDMWJXKLRMAMQK-GFCCVEGCSA-N -1 3 369.450 3.019 20 0 FGADHM CSc1ccc(O[C@H](C)C(=O)N(C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737189318 598911404 /nfs/dbraw/zinc/91/14/04/598911404.db2.gz FDMWJXKLRMAMQK-GFCCVEGCSA-N -1 3 369.450 3.019 20 0 FGADHM COc1cc(F)c([C@H](C)Nc2ccc(-c3nn[n-]n3)cc2F)cc1OC ZINC000737053751 598914230 /nfs/dbraw/zinc/91/42/30/598914230.db2.gz LSJJZJDQEJSAAC-VIFPVBQESA-N -1 3 361.352 3.335 20 0 FGADHM CC[C@@H]1c2ccccc2CCN1C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000736404982 598923179 /nfs/dbraw/zinc/92/31/79/598923179.db2.gz CLTJUSAIKXHLLD-GOSISDBHSA-N -1 3 362.437 3.086 20 0 FGADHM CC[C@@H]1c2ccccc2CCN1C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000736404982 598923180 /nfs/dbraw/zinc/92/31/80/598923180.db2.gz CLTJUSAIKXHLLD-GOSISDBHSA-N -1 3 362.437 3.086 20 0 FGADHM C[C@@H](COc1ccc(F)cc1F)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC000736036455 598937922 /nfs/dbraw/zinc/93/79/22/598937922.db2.gz AVGKMHWWEBJPHG-QMMMGPOBSA-N -1 3 366.759 3.073 20 0 FGADHM C[C@@H](COc1ccc(F)cc1F)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC000736036455 598937923 /nfs/dbraw/zinc/93/79/23/598937923.db2.gz AVGKMHWWEBJPHG-QMMMGPOBSA-N -1 3 366.759 3.073 20 0 FGADHM CC(C)C[C@H]1CCCCCN1C(=O)COc1ccccc1-c1nnn[n-]1 ZINC000735794852 598941666 /nfs/dbraw/zinc/94/16/66/598941666.db2.gz GLQZMMQDDQDRAS-OAHLLOKOSA-N -1 3 357.458 3.063 20 0 FGADHM CC(C)C[C@H]1CCCCCN1C(=O)COc1ccccc1-c1nn[n-]n1 ZINC000735794852 598941668 /nfs/dbraw/zinc/94/16/68/598941668.db2.gz GLQZMMQDDQDRAS-OAHLLOKOSA-N -1 3 357.458 3.063 20 0 FGADHM CCOC(=O)[C@H](C)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736587435 598960978 /nfs/dbraw/zinc/96/09/78/598960978.db2.gz VRKNABNNKBRYSI-LBPRGKRZSA-N -1 3 353.382 3.023 20 0 FGADHM CCOC(=O)[C@H](C)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736587435 598960979 /nfs/dbraw/zinc/96/09/79/598960979.db2.gz VRKNABNNKBRYSI-LBPRGKRZSA-N -1 3 353.382 3.023 20 0 FGADHM CC(C)CN(C)C(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735827446 598988718 /nfs/dbraw/zinc/98/87/18/598988718.db2.gz NIUYJCCVEVMZOK-UHFFFAOYSA-N -1 3 365.437 3.174 20 0 FGADHM NC(=O)[C@H](S[C@H]1CCCc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000737743036 599013180 /nfs/dbraw/zinc/01/31/80/599013180.db2.gz SLHNTNSMZJNMBE-DLBZAZTESA-N -1 3 365.462 3.204 20 0 FGADHM NC(=O)[C@H](S[C@H]1CCCc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000737743036 599013183 /nfs/dbraw/zinc/01/31/83/599013183.db2.gz SLHNTNSMZJNMBE-DLBZAZTESA-N -1 3 365.462 3.204 20 0 FGADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1Oc1ccccn1 ZINC000738230578 599017021 /nfs/dbraw/zinc/01/70/21/599017021.db2.gz HGGZPXLGGFDHPD-UHFFFAOYSA-N -1 3 373.372 3.411 20 0 FGADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1Oc1ccccn1 ZINC000738230578 599017023 /nfs/dbraw/zinc/01/70/23/599017023.db2.gz HGGZPXLGGFDHPD-UHFFFAOYSA-N -1 3 373.372 3.411 20 0 FGADHM C[C@@H](CCc1ccco1)Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000735992699 599038723 /nfs/dbraw/zinc/03/87/23/599038723.db2.gz LFZWXHYFORXJTK-VIFPVBQESA-N -1 3 352.320 3.307 20 0 FGADHM C[C@@H](CCc1ccco1)Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000735992699 599038726 /nfs/dbraw/zinc/03/87/26/599038726.db2.gz LFZWXHYFORXJTK-VIFPVBQESA-N -1 3 352.320 3.307 20 0 FGADHM Cc1ccc(CNc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)cc1F ZINC000737343301 599041996 /nfs/dbraw/zinc/04/19/96/599041996.db2.gz UGMOCHUPHYREPO-UHFFFAOYSA-N -1 3 352.295 3.340 20 0 FGADHM Cc1ccc(CNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)cc1F ZINC000737343301 599041999 /nfs/dbraw/zinc/04/19/99/599041999.db2.gz UGMOCHUPHYREPO-UHFFFAOYSA-N -1 3 352.295 3.340 20 0 FGADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(N2CCC[C@@H]2C2CCCC2)n1 ZINC000737633258 599048160 /nfs/dbraw/zinc/04/81/60/599048160.db2.gz PPGCDPURLNLJGV-GFCCVEGCSA-N -1 3 352.364 3.440 20 0 FGADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(N2CCC[C@@H]2C2CCCC2)n1 ZINC000737633258 599048163 /nfs/dbraw/zinc/04/81/63/599048163.db2.gz PPGCDPURLNLJGV-GFCCVEGCSA-N -1 3 352.364 3.440 20 0 FGADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(NCc2cccc3cccnc32)n1 ZINC000737635638 599049927 /nfs/dbraw/zinc/04/99/27/599049927.db2.gz KJMFCUMRMGUYIP-UHFFFAOYSA-N -1 3 371.326 3.441 20 0 FGADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(NCc2cccc3cccnc32)n1 ZINC000737635638 599049930 /nfs/dbraw/zinc/04/99/30/599049930.db2.gz KJMFCUMRMGUYIP-UHFFFAOYSA-N -1 3 371.326 3.441 20 0 FGADHM Cc1cccc([C@H](C)CNC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000737389999 599059060 /nfs/dbraw/zinc/05/90/60/599059060.db2.gz RDHCBFNGDQSNIQ-GFCCVEGCSA-N -1 3 354.389 3.239 20 0 FGADHM Cc1cccc([C@H](C)CNC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000737389999 599059063 /nfs/dbraw/zinc/05/90/63/599059063.db2.gz RDHCBFNGDQSNIQ-GFCCVEGCSA-N -1 3 354.389 3.239 20 0 FGADHM Fc1ccc(OC2CCN(c3cccc(F)c3-c3nnn[n-]3)CC2)cc1 ZINC000737656918 599064172 /nfs/dbraw/zinc/06/41/72/599064172.db2.gz QVKCYOLRWGXUKY-UHFFFAOYSA-N -1 3 357.364 3.193 20 0 FGADHM Fc1ccc(OC2CCN(c3cccc(F)c3-c3nn[n-]n3)CC2)cc1 ZINC000737656918 599064175 /nfs/dbraw/zinc/06/41/75/599064175.db2.gz QVKCYOLRWGXUKY-UHFFFAOYSA-N -1 3 357.364 3.193 20 0 FGADHM CC(C)(C)Oc1ccccc1NCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000735643339 599064451 /nfs/dbraw/zinc/06/44/51/599064451.db2.gz NDSRYYYFCXYARU-UHFFFAOYSA-N -1 3 366.425 3.095 20 0 FGADHM CC(C)(C)Oc1ccccc1NCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000735643339 599064452 /nfs/dbraw/zinc/06/44/52/599064452.db2.gz NDSRYYYFCXYARU-UHFFFAOYSA-N -1 3 366.425 3.095 20 0 FGADHM Cc1ccc(N2CCC[C@H](Nc3ccc(-c4nn[n-]n4)cc3F)C2)cc1 ZINC000822242248 599064852 /nfs/dbraw/zinc/06/48/52/599064852.db2.gz FUCVVCHPYGQUHH-HNNXBMFYSA-N -1 3 352.417 3.395 20 0 FGADHM CCO[C@H](C)c1nc(CN(C)c2ccc(-c3nn[n-]n3)cc2F)cs1 ZINC000821347673 599072078 /nfs/dbraw/zinc/07/20/78/599072078.db2.gz ZLMRHMXRCPXCTM-SNVBAGLBSA-N -1 3 362.434 3.196 20 0 FGADHM COc1ccc(O[C@@H](C)CNc2c(Cl)cccc2-c2nnn[n-]2)cc1 ZINC000821839536 599076071 /nfs/dbraw/zinc/07/60/71/599076071.db2.gz WBXVPVBXJPRGGC-NSHDSACASA-N -1 3 359.817 3.408 20 0 FGADHM COc1ccc(O[C@@H](C)CNc2c(Cl)cccc2-c2nn[n-]n2)cc1 ZINC000821839536 599076073 /nfs/dbraw/zinc/07/60/73/599076073.db2.gz WBXVPVBXJPRGGC-NSHDSACASA-N -1 3 359.817 3.408 20 0 FGADHM COc1ccccc1O[C@@H](C)CNc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821903169 599077241 /nfs/dbraw/zinc/07/72/41/599077241.db2.gz CFDMWUBXVQCGDP-NSHDSACASA-N -1 3 359.817 3.408 20 0 FGADHM COc1ccccc1O[C@@H](C)CNc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821903169 599077243 /nfs/dbraw/zinc/07/72/43/599077243.db2.gz CFDMWUBXVQCGDP-NSHDSACASA-N -1 3 359.817 3.408 20 0 FGADHM COc1ccccc1O[C@H](C)CNc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821903168 599077747 /nfs/dbraw/zinc/07/77/47/599077747.db2.gz CFDMWUBXVQCGDP-LLVKDONJSA-N -1 3 359.817 3.408 20 0 FGADHM COc1ccccc1O[C@H](C)CNc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821903168 599077751 /nfs/dbraw/zinc/07/77/51/599077751.db2.gz CFDMWUBXVQCGDP-LLVKDONJSA-N -1 3 359.817 3.408 20 0 FGADHM CCc1nc(C)c([C@@H](C)N(C)C(=O)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000736698657 599078358 /nfs/dbraw/zinc/07/83/58/599078358.db2.gz HUEKBYVZYKMRDG-LLVKDONJSA-N -1 3 356.455 3.027 20 0 FGADHM CCc1nc(C)c([C@@H](C)N(C)C(=O)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000736698657 599078361 /nfs/dbraw/zinc/07/83/61/599078361.db2.gz HUEKBYVZYKMRDG-LLVKDONJSA-N -1 3 356.455 3.027 20 0 FGADHM C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)N1C(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736236025 599091432 /nfs/dbraw/zinc/09/14/32/599091432.db2.gz QPZAMFULAIDMKE-ZRGWGRIASA-N -1 3 361.449 3.202 20 0 FGADHM C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)N1C(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736236025 599091436 /nfs/dbraw/zinc/09/14/36/599091436.db2.gz QPZAMFULAIDMKE-ZRGWGRIASA-N -1 3 361.449 3.202 20 0 FGADHM C[C@@H](c1ccc(F)cc1)N(C)C(=O)CSc1ccccc1-c1nnn[n-]1 ZINC000736199092 599109421 /nfs/dbraw/zinc/10/94/21/599109421.db2.gz NKLNWLPXZGVGLL-LBPRGKRZSA-N -1 3 371.441 3.318 20 0 FGADHM C[C@@H](c1ccc(F)cc1)N(C)C(=O)CSc1ccccc1-c1nn[n-]n1 ZINC000736199092 599109423 /nfs/dbraw/zinc/10/94/23/599109423.db2.gz NKLNWLPXZGVGLL-LBPRGKRZSA-N -1 3 371.441 3.318 20 0 FGADHM CC(C)(C)c1ccc(CS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000819958493 599117996 /nfs/dbraw/zinc/11/79/96/599117996.db2.gz MGXBXJVTTZUBPC-UHFFFAOYSA-N -1 3 374.441 3.277 20 0 FGADHM CC(C)(C)c1ccc(CS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000819958493 599117998 /nfs/dbraw/zinc/11/79/98/599117998.db2.gz MGXBXJVTTZUBPC-UHFFFAOYSA-N -1 3 374.441 3.277 20 0 FGADHM CCO[C@@H]1C[C@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)C12CCCCC2 ZINC000736612543 599119467 /nfs/dbraw/zinc/11/94/67/599119467.db2.gz QAHCRKLWFGVFJU-UONOGXRCSA-N -1 3 362.865 3.455 20 0 FGADHM CCO[C@@H]1C[C@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)C12CCCCC2 ZINC000736612543 599119469 /nfs/dbraw/zinc/11/94/69/599119469.db2.gz QAHCRKLWFGVFJU-UONOGXRCSA-N -1 3 362.865 3.455 20 0 FGADHM CCOCc1ccccc1CNc1c(-c2nnn[n-]2)cnc2c(C)cccc21 ZINC000736625810 599120797 /nfs/dbraw/zinc/12/07/97/599120797.db2.gz MSLGTEUMGCKORC-UHFFFAOYSA-N -1 3 374.448 3.294 20 0 FGADHM CCOCc1ccccc1CNc1c(-c2nn[n-]n2)cnc2c(C)cccc21 ZINC000736625810 599120800 /nfs/dbraw/zinc/12/08/00/599120800.db2.gz MSLGTEUMGCKORC-UHFFFAOYSA-N -1 3 374.448 3.294 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@H](C)CCc1ccccc1F ZINC000821699088 599134747 /nfs/dbraw/zinc/13/47/47/599134747.db2.gz BDLIBLCIJIHSBQ-GFCCVEGCSA-N -1 3 370.384 3.189 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@H](C)CCc1ccccc1F ZINC000821699088 599134749 /nfs/dbraw/zinc/13/47/49/599134749.db2.gz BDLIBLCIJIHSBQ-GFCCVEGCSA-N -1 3 370.384 3.189 20 0 FGADHM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000820938499 599147896 /nfs/dbraw/zinc/14/78/96/599147896.db2.gz KJNHFAIMUXLBLZ-VMGRFDJRSA-N -1 3 357.458 3.488 20 0 FGADHM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000820938499 599147898 /nfs/dbraw/zinc/14/78/98/599147898.db2.gz KJNHFAIMUXLBLZ-VMGRFDJRSA-N -1 3 357.458 3.488 20 0 FGADHM CC(C)CN(C(=O)Cc1cc(F)ccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000820081679 599146074 /nfs/dbraw/zinc/14/60/74/599146074.db2.gz QTMBUVVEFFWXDG-UHFFFAOYSA-N -1 3 371.391 3.377 20 0 FGADHM CC(C)CN(C(=O)Cc1cc(F)ccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000820081679 599146077 /nfs/dbraw/zinc/14/60/77/599146077.db2.gz QTMBUVVEFFWXDG-UHFFFAOYSA-N -1 3 371.391 3.377 20 0 FGADHM CC(C)[C@@H](C(=O)NCc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000820015823 599152300 /nfs/dbraw/zinc/15/23/00/599152300.db2.gz GPPQYYDLDHCAFF-QGZVFWFLSA-N -1 3 353.401 3.062 20 0 FGADHM CC(C)[C@@H](C(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000820015823 599152303 /nfs/dbraw/zinc/15/23/03/599152303.db2.gz GPPQYYDLDHCAFF-QGZVFWFLSA-N -1 3 353.401 3.062 20 0 FGADHM CC(C)[C@@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(=O)NC(C)(C)C ZINC000735733437 599165378 /nfs/dbraw/zinc/16/53/78/599165378.db2.gz AKTYNHOCIJUWRZ-CYBMUJFWSA-N -1 3 351.451 3.037 20 0 FGADHM CC(C)[C@@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(=O)NC(C)(C)C ZINC000735733437 599165380 /nfs/dbraw/zinc/16/53/80/599165380.db2.gz AKTYNHOCIJUWRZ-CYBMUJFWSA-N -1 3 351.451 3.037 20 0 FGADHM Fc1cccc(N2CCC[C@H](Nc3c(F)cc(-c4nnn[n-]4)cc3F)C2)c1 ZINC000737661227 599171795 /nfs/dbraw/zinc/17/17/95/599171795.db2.gz NQVCZCSLGITSDP-ZDUSSCGKSA-N -1 3 374.370 3.365 20 0 FGADHM Fc1cccc(N2CCC[C@H](Nc3c(F)cc(-c4nn[n-]n4)cc3F)C2)c1 ZINC000737661227 599171797 /nfs/dbraw/zinc/17/17/97/599171797.db2.gz NQVCZCSLGITSDP-ZDUSSCGKSA-N -1 3 374.370 3.365 20 0 FGADHM COC(C)(C)C[C@H](C)NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736957778 599173679 /nfs/dbraw/zinc/17/36/79/599173679.db2.gz KSABRVONNFEAFR-VIFPVBQESA-N -1 3 368.894 3.010 20 0 FGADHM COC(C)(C)C[C@H](C)NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736957778 599173682 /nfs/dbraw/zinc/17/36/82/599173682.db2.gz KSABRVONNFEAFR-VIFPVBQESA-N -1 3 368.894 3.010 20 0 FGADHM Cc1nc(SCCC(=O)Nc2cccc(-c3nnn[n-]3)c2)sc1C ZINC000737482614 599173838 /nfs/dbraw/zinc/17/38/38/599173838.db2.gz JQKGYTPHZXPSRO-UHFFFAOYSA-N -1 3 360.468 3.061 20 0 FGADHM Cc1nc(SCCC(=O)Nc2cccc(-c3nn[n-]n3)c2)sc1C ZINC000737482614 599173839 /nfs/dbraw/zinc/17/38/39/599173839.db2.gz JQKGYTPHZXPSRO-UHFFFAOYSA-N -1 3 360.468 3.061 20 0 FGADHM CC[C@@H](C)[C@@H](C(=O)NCc1cc(-c2nnn[n-]2)ccc1F)c1ccccc1 ZINC000820863482 599176296 /nfs/dbraw/zinc/17/62/96/599176296.db2.gz UGQNRELUINEVNI-FZKQIMNGSA-N -1 3 367.428 3.452 20 0 FGADHM CC[C@@H](C)[C@@H](C(=O)NCc1cc(-c2nn[n-]n2)ccc1F)c1ccccc1 ZINC000820863482 599176298 /nfs/dbraw/zinc/17/62/98/599176298.db2.gz UGQNRELUINEVNI-FZKQIMNGSA-N -1 3 367.428 3.452 20 0 FGADHM Cc1ccc(Br)cc1C(=O)N(C)c1cccc(-c2nnn[n-]2)c1 ZINC000737306745 599185894 /nfs/dbraw/zinc/18/58/94/599185894.db2.gz RPYJRGGATYSEJG-UHFFFAOYSA-N -1 3 372.226 3.214 20 0 FGADHM Cc1ccc(Br)cc1C(=O)N(C)c1cccc(-c2nn[n-]n2)c1 ZINC000737306745 599185897 /nfs/dbraw/zinc/18/58/97/599185897.db2.gz RPYJRGGATYSEJG-UHFFFAOYSA-N -1 3 372.226 3.214 20 0 FGADHM CC(C)(C)C(=O)c1ccsc1NC(=O)c1sccc1-c1nnn[n-]1 ZINC000735590303 599189256 /nfs/dbraw/zinc/18/92/56/599189256.db2.gz XLANDUWAFUXBSC-UHFFFAOYSA-N -1 3 361.452 3.471 20 0 FGADHM CC(C)(C)C(=O)c1ccsc1NC(=O)c1sccc1-c1nn[n-]n1 ZINC000735590303 599189258 /nfs/dbraw/zinc/18/92/58/599189258.db2.gz XLANDUWAFUXBSC-UHFFFAOYSA-N -1 3 361.452 3.471 20 0 FGADHM COCCCCCSc1nc(C)cc(C(F)(F)F)c1-c1nnn[n-]1 ZINC000736978185 599193029 /nfs/dbraw/zinc/19/30/29/599193029.db2.gz HGRKRUFFQADKNA-UHFFFAOYSA-N -1 3 361.393 3.498 20 0 FGADHM CC(C)OC(=O)NCc1ccc(Nc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000735894633 599205135 /nfs/dbraw/zinc/20/51/35/599205135.db2.gz JEHLXDNIEZFVLS-UHFFFAOYSA-N -1 3 370.388 3.384 20 0 FGADHM CC(C)OC(=O)NCc1ccc(Nc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000735894633 599205138 /nfs/dbraw/zinc/20/51/38/599205138.db2.gz JEHLXDNIEZFVLS-UHFFFAOYSA-N -1 3 370.388 3.384 20 0 FGADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCCCCC1CCCC1 ZINC000820542650 599206039 /nfs/dbraw/zinc/20/60/39/599206039.db2.gz PSTDQMBHNBAVLO-CQSZACIVSA-N -1 3 357.458 3.111 20 0 FGADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCCCCC1CCCC1 ZINC000820542650 599206041 /nfs/dbraw/zinc/20/60/41/599206041.db2.gz PSTDQMBHNBAVLO-CQSZACIVSA-N -1 3 357.458 3.111 20 0 FGADHM CCS[C@@H]1CC[C@H](N(C)C(=O)C=Cc2ccccc2-c2nnn[n-]2)C1 ZINC000821447007 599212346 /nfs/dbraw/zinc/21/23/46/599212346.db2.gz HAOLDPWZUTWBFF-QBKVNLCDSA-N -1 3 357.483 3.013 20 0 FGADHM CCS[C@@H]1CC[C@H](N(C)C(=O)C=Cc2ccccc2-c2nn[n-]n2)C1 ZINC000821447007 599212348 /nfs/dbraw/zinc/21/23/48/599212348.db2.gz HAOLDPWZUTWBFF-QBKVNLCDSA-N -1 3 357.483 3.013 20 0 FGADHM CC[C@@H]1CCCN(C(=O)[C@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)CC1 ZINC000736400140 599224491 /nfs/dbraw/zinc/22/44/91/599224491.db2.gz MJLQGYIQSSKCIV-CRAIPNDOSA-N -1 3 371.485 3.309 20 0 FGADHM CC[C@@H]1CCCN(C(=O)[C@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)CC1 ZINC000736400140 599224494 /nfs/dbraw/zinc/22/44/94/599224494.db2.gz MJLQGYIQSSKCIV-CRAIPNDOSA-N -1 3 371.485 3.309 20 0 FGADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1C2CCCC1CCC2 ZINC000735736872 599225855 /nfs/dbraw/zinc/22/58/55/599225855.db2.gz ZULGJQBXWWUQTK-JTTJXQCZSA-N -1 3 369.469 3.204 20 0 FGADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1C2CCCC1CCC2 ZINC000735736872 599225856 /nfs/dbraw/zinc/22/58/56/599225856.db2.gz ZULGJQBXWWUQTK-JTTJXQCZSA-N -1 3 369.469 3.204 20 0 FGADHM CC1(C)C[C@@H](NC(=O)NCc2cccc(-c3nnn[n-]3)c2)c2ccccc21 ZINC000820590522 607261076 /nfs/dbraw/zinc/26/10/76/607261076.db2.gz VSQRJNFQNDCJIJ-QGZVFWFLSA-N -1 3 362.437 3.089 20 0 FGADHM CC1(C)C[C@@H](NC(=O)NCc2cccc(-c3nn[n-]n3)c2)c2ccccc21 ZINC000820590522 607261077 /nfs/dbraw/zinc/26/10/77/607261077.db2.gz VSQRJNFQNDCJIJ-QGZVFWFLSA-N -1 3 362.437 3.089 20 0 FGADHM CCSCC[C@@H](C)NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000821460848 599231188 /nfs/dbraw/zinc/23/11/88/599231188.db2.gz FCLVLAXZCQGHMV-SECBINFHSA-N -1 3 370.935 3.338 20 0 FGADHM CCSCC[C@@H](C)NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000821460848 599231191 /nfs/dbraw/zinc/23/11/91/599231191.db2.gz FCLVLAXZCQGHMV-SECBINFHSA-N -1 3 370.935 3.338 20 0 FGADHM O=C(COc1ccc(-c2nn[n-]n2)cc1)N1CCCCCc2ccccc21 ZINC000737921418 599232019 /nfs/dbraw/zinc/23/20/19/599232019.db2.gz WOJMULUXNUYMSA-UHFFFAOYSA-N -1 3 363.421 3.005 20 0 FGADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(NC[C@@H]2CCc3ccccc3C2)n1 ZINC000737635633 599232590 /nfs/dbraw/zinc/23/25/90/599232590.db2.gz KCMCJESCGVKION-LLVKDONJSA-N -1 3 374.370 3.498 20 0 FGADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(NC[C@@H]2CCc3ccccc3C2)n1 ZINC000737635633 599232591 /nfs/dbraw/zinc/23/25/91/599232591.db2.gz KCMCJESCGVKION-LLVKDONJSA-N -1 3 374.370 3.498 20 0 FGADHM CS[C@@H]1CCC[C@@H](Nc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)C1 ZINC000737179475 599233498 /nfs/dbraw/zinc/23/34/98/599233498.db2.gz KTDLEYKGQZUOHC-RKDXNWHRSA-N -1 3 358.393 3.367 20 0 FGADHM CS[C@@H]1CCC[C@@H](Nc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)C1 ZINC000737179475 599233499 /nfs/dbraw/zinc/23/34/99/599233499.db2.gz KTDLEYKGQZUOHC-RKDXNWHRSA-N -1 3 358.393 3.367 20 0 FGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000737944269 599227903 /nfs/dbraw/zinc/22/79/03/599227903.db2.gz ZSDMMHDOKUODEZ-NWANDNLSSA-N -1 3 357.483 3.044 20 0 FGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000737944269 599227905 /nfs/dbraw/zinc/22/79/05/599227905.db2.gz ZSDMMHDOKUODEZ-NWANDNLSSA-N -1 3 357.483 3.044 20 0 FGADHM CCC[C@@](C)(O)C(=O)OCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000821009396 607265366 /nfs/dbraw/zinc/26/53/66/607265366.db2.gz QLSHMZWIDPGFFQ-HXUWFJFHSA-N -1 3 366.421 3.128 20 0 FGADHM CCC[C@@](C)(O)C(=O)OCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000821009396 607265367 /nfs/dbraw/zinc/26/53/67/607265367.db2.gz QLSHMZWIDPGFFQ-HXUWFJFHSA-N -1 3 366.421 3.128 20 0 FGADHM Cc1cccc(CSCC(=O)Nc2cccc(-c3nnn[n-]3)c2C)c1 ZINC000822303487 607271693 /nfs/dbraw/zinc/27/16/93/607271693.db2.gz CHVUBRGWBWATRR-UHFFFAOYSA-N -1 3 353.451 3.355 20 0 FGADHM Cc1cccc(CSCC(=O)Nc2cccc(-c3nn[n-]n3)c2C)c1 ZINC000822303487 607271694 /nfs/dbraw/zinc/27/16/94/607271694.db2.gz CHVUBRGWBWATRR-UHFFFAOYSA-N -1 3 353.451 3.355 20 0 FGADHM Cc1ccc(C(=O)CCC(=O)Nc2cccc(-c3nnn[n-]3)c2C)s1 ZINC000822225101 607269410 /nfs/dbraw/zinc/26/94/10/607269410.db2.gz OCGCXYYHIDFPSQ-UHFFFAOYSA-N -1 3 355.423 3.147 20 0 FGADHM Cc1ccc(C(=O)CCC(=O)Nc2cccc(-c3nn[n-]n3)c2C)s1 ZINC000822225101 607269411 /nfs/dbraw/zinc/26/94/11/607269411.db2.gz OCGCXYYHIDFPSQ-UHFFFAOYSA-N -1 3 355.423 3.147 20 0 FGADHM Cc1cc(C)cc(C[C@H](C)NC(=O)Nc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822196209 599246461 /nfs/dbraw/zinc/24/64/61/599246461.db2.gz ACMLPCPGYKHSJB-AWEZNQCLSA-N -1 3 350.426 3.236 20 0 FGADHM Cc1cc(C)cc(C[C@H](C)NC(=O)Nc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822196209 599246464 /nfs/dbraw/zinc/24/64/64/599246464.db2.gz ACMLPCPGYKHSJB-AWEZNQCLSA-N -1 3 350.426 3.236 20 0 FGADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C=Cc1ccnc2ccccc12 ZINC000736819292 599248629 /nfs/dbraw/zinc/24/86/29/599248629.db2.gz DJMQRFLUUPPVHZ-KTKRTIGZSA-N -1 3 370.416 3.087 20 0 FGADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C=Cc1ccnc2ccccc12 ZINC000736819292 599248631 /nfs/dbraw/zinc/24/86/31/599248631.db2.gz DJMQRFLUUPPVHZ-KTKRTIGZSA-N -1 3 370.416 3.087 20 0 FGADHM Cc1ccc(NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)CC(C)C)cn1 ZINC000822248808 607274670 /nfs/dbraw/zinc/27/46/70/607274670.db2.gz OSXPQBQDUZQQQV-UHFFFAOYSA-N -1 3 365.441 3.260 20 0 FGADHM Cc1ccc(NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)CC(C)C)cn1 ZINC000822248808 607274671 /nfs/dbraw/zinc/27/46/71/607274671.db2.gz OSXPQBQDUZQQQV-UHFFFAOYSA-N -1 3 365.441 3.260 20 0 FGADHM C[C@H](NC(=O)Nc1cccc2cccnc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820379790 599248826 /nfs/dbraw/zinc/24/88/26/599248826.db2.gz HGFHFGVOTZRFQF-LBPRGKRZSA-N -1 3 359.393 3.298 20 0 FGADHM C[C@H](NC(=O)Nc1cccc2cccnc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820379790 599248828 /nfs/dbraw/zinc/24/88/28/599248828.db2.gz HGFHFGVOTZRFQF-LBPRGKRZSA-N -1 3 359.393 3.298 20 0 FGADHM CCSCC[C@H](C)NC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000821461532 599249700 /nfs/dbraw/zinc/24/97/00/599249700.db2.gz QBSCWGDRAMEGCG-VIFPVBQESA-N -1 3 354.867 3.173 20 0 FGADHM CCSCC[C@H](C)NC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000821461532 599249701 /nfs/dbraw/zinc/24/97/01/599249701.db2.gz QBSCWGDRAMEGCG-VIFPVBQESA-N -1 3 354.867 3.173 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N[C@H]1C[C@H]1Cc1ccccc1 ZINC000823303940 599251326 /nfs/dbraw/zinc/25/13/26/599251326.db2.gz ZJLHIBZPUNTPIW-WBMJQRKESA-N -1 3 368.828 3.273 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N[C@H]1C[C@H]1Cc1ccccc1 ZINC000823303940 599251328 /nfs/dbraw/zinc/25/13/28/599251328.db2.gz ZJLHIBZPUNTPIW-WBMJQRKESA-N -1 3 368.828 3.273 20 0 FGADHM COc1ccc(CNc2c(-c3nnn[n-]3)cnc3c(C)cc(C)cc32)cc1 ZINC000737095781 599253168 /nfs/dbraw/zinc/25/31/68/599253168.db2.gz NJLVFCOPGQSUPQ-UHFFFAOYSA-N -1 3 360.421 3.074 20 0 FGADHM COc1ccc(CNc2c(-c3nn[n-]n3)cnc3c(C)cc(C)cc32)cc1 ZINC000737095781 599253171 /nfs/dbraw/zinc/25/31/71/599253171.db2.gz NJLVFCOPGQSUPQ-UHFFFAOYSA-N -1 3 360.421 3.074 20 0 FGADHM COc1ccccc1CNc1c(-c2nnn[n-]2)cnc2c(C)cc(C)cc21 ZINC000737152637 599253705 /nfs/dbraw/zinc/25/37/05/599253705.db2.gz MVYSBZAJCJZJOH-UHFFFAOYSA-N -1 3 360.421 3.074 20 0 FGADHM COc1ccccc1CNc1c(-c2nn[n-]n2)cnc2c(C)cc(C)cc21 ZINC000737152637 599253707 /nfs/dbraw/zinc/25/37/07/599253707.db2.gz MVYSBZAJCJZJOH-UHFFFAOYSA-N -1 3 360.421 3.074 20 0 FGADHM CN(Cc1cccnc1)c1c(-c2nnn[n-]2)cnc2ccc(Cl)cc21 ZINC000736828007 599255246 /nfs/dbraw/zinc/25/52/46/599255246.db2.gz FNVODRRNMNBFLG-UHFFFAOYSA-N -1 3 351.801 3.100 20 0 FGADHM CN(Cc1cccnc1)c1c(-c2nn[n-]n2)cnc2ccc(Cl)cc21 ZINC000736828007 599255247 /nfs/dbraw/zinc/25/52/47/599255247.db2.gz FNVODRRNMNBFLG-UHFFFAOYSA-N -1 3 351.801 3.100 20 0 FGADHM CN(Cc1cccc(F)c1)c1c(-c2nnn[n-]2)cnc2c(F)ccc(F)c21 ZINC000736828264 599255633 /nfs/dbraw/zinc/25/56/33/599255633.db2.gz MIQRDFKIWKQBLU-UHFFFAOYSA-N -1 3 370.338 3.469 20 0 FGADHM CN(Cc1cccc(F)c1)c1c(-c2nn[n-]n2)cnc2c(F)ccc(F)c21 ZINC000736828264 599255635 /nfs/dbraw/zinc/25/56/35/599255635.db2.gz MIQRDFKIWKQBLU-UHFFFAOYSA-N -1 3 370.338 3.469 20 0 FGADHM COc1ccc(C2(C(=O)Nc3cccc(-c4nnn[n-]4)c3C)CCC2)cc1 ZINC000821782636 607295597 /nfs/dbraw/zinc/29/55/97/607295597.db2.gz IRNFURWDFHIZOP-UHFFFAOYSA-N -1 3 363.421 3.244 20 0 FGADHM COc1ccc(C2(C(=O)Nc3cccc(-c4nn[n-]n4)c3C)CCC2)cc1 ZINC000821782636 607295598 /nfs/dbraw/zinc/29/55/98/607295598.db2.gz IRNFURWDFHIZOP-UHFFFAOYSA-N -1 3 363.421 3.244 20 0 FGADHM Cc1cc(C)c(NC(=O)c2ccc(-c3nnn[n-]3)cc2)c(Br)c1 ZINC000822194371 607298191 /nfs/dbraw/zinc/29/81/91/607298191.db2.gz UNBDUPPTIFUHRU-UHFFFAOYSA-N -1 3 372.226 3.498 20 0 FGADHM Cc1cc(C)c(NC(=O)c2ccc(-c3nn[n-]n3)cc2)c(Br)c1 ZINC000822194371 607298192 /nfs/dbraw/zinc/29/81/92/607298192.db2.gz UNBDUPPTIFUHRU-UHFFFAOYSA-N -1 3 372.226 3.498 20 0 FGADHM FC(F)(F)COc1ccc(NCc2cc(-c3nnn[n-]3)cs2)cc1 ZINC000822718191 607309351 /nfs/dbraw/zinc/30/93/51/607309351.db2.gz BWURSIIOGRRUDJ-UHFFFAOYSA-N -1 3 355.345 3.481 20 0 FGADHM FC(F)(F)COc1ccc(NCc2cc(-c3nn[n-]n3)cs2)cc1 ZINC000822718191 607309352 /nfs/dbraw/zinc/30/93/52/607309352.db2.gz BWURSIIOGRRUDJ-UHFFFAOYSA-N -1 3 355.345 3.481 20 0 FGADHM FC(F)Sc1ccc(NCc2cnc3ccc(-c4nnn[n-]4)cn23)cc1 ZINC000822737473 607310933 /nfs/dbraw/zinc/31/09/33/607310933.db2.gz WVYNFTZYPRBPKD-UHFFFAOYSA-N -1 3 373.392 3.441 20 0 FGADHM FC(F)Sc1ccc(NCc2cnc3ccc(-c4nn[n-]n4)cn23)cc1 ZINC000822737473 607310934 /nfs/dbraw/zinc/31/09/34/607310934.db2.gz WVYNFTZYPRBPKD-UHFFFAOYSA-N -1 3 373.392 3.441 20 0 FGADHM CCC(CC)n1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)n1 ZINC000820898060 607303505 /nfs/dbraw/zinc/30/35/05/607303505.db2.gz TWTLVMMGOYORGF-UHFFFAOYSA-N -1 3 359.821 3.330 20 0 FGADHM CCC(CC)n1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)n1 ZINC000820898060 607303506 /nfs/dbraw/zinc/30/35/06/607303506.db2.gz TWTLVMMGOYORGF-UHFFFAOYSA-N -1 3 359.821 3.330 20 0 FGADHM Fc1cc(-c2nnn[n-]2)cc(F)c1N1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000737639400 599267729 /nfs/dbraw/zinc/26/77/29/599267729.db2.gz QMVTULGFCIHBBA-AWEZNQCLSA-N -1 3 371.347 3.215 20 0 FGADHM Fc1cc(-c2nn[n-]n2)cc(F)c1N1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000737639400 599267730 /nfs/dbraw/zinc/26/77/30/599267730.db2.gz QMVTULGFCIHBBA-AWEZNQCLSA-N -1 3 371.347 3.215 20 0 FGADHM Cc1cnc([C@@H](NC(=O)Nc2cc(-c3nnn[n-]3)ccc2C)C2CC2)s1 ZINC000822389059 599270974 /nfs/dbraw/zinc/27/09/74/599270974.db2.gz KAFMZZMYUSTZIQ-AWEZNQCLSA-N -1 3 369.454 3.213 20 0 FGADHM Cc1cnc([C@@H](NC(=O)Nc2cc(-c3nn[n-]n3)ccc2C)C2CC2)s1 ZINC000822389059 599270976 /nfs/dbraw/zinc/27/09/76/599270976.db2.gz KAFMZZMYUSTZIQ-AWEZNQCLSA-N -1 3 369.454 3.213 20 0 FGADHM FC(F)(F)Cc1cccc(NCc2cnc3ccc(-c4nnn[n-]4)cn23)c1 ZINC000822718719 607319225 /nfs/dbraw/zinc/31/92/25/607319225.db2.gz PQHUOAJYHPIBDX-UHFFFAOYSA-N -1 3 373.342 3.231 20 0 FGADHM FC(F)(F)Cc1cccc(NCc2cnc3ccc(-c4nn[n-]n4)cn23)c1 ZINC000822718719 607319226 /nfs/dbraw/zinc/31/92/26/607319226.db2.gz PQHUOAJYHPIBDX-UHFFFAOYSA-N -1 3 373.342 3.231 20 0 FGADHM C[C@@H](Sc1nnc(-c2ccco2)n1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736192287 599284878 /nfs/dbraw/zinc/28/48/78/599284878.db2.gz KZXHTTVJWMWSPY-SNVBAGLBSA-N -1 3 353.411 3.109 20 0 FGADHM C[C@@H](Sc1nnc(-c2ccco2)n1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736192287 599284881 /nfs/dbraw/zinc/28/48/81/599284881.db2.gz KZXHTTVJWMWSPY-SNVBAGLBSA-N -1 3 353.411 3.109 20 0 FGADHM Cc1occc1-c1nnc(S[C@H](C)c2ccc(-c3nnn[n-]3)cc2)n1C ZINC000737551165 599288494 /nfs/dbraw/zinc/28/84/94/599288494.db2.gz GEAGTUFPOOPNPA-LLVKDONJSA-N -1 3 367.438 3.417 20 0 FGADHM Cc1occc1-c1nnc(S[C@H](C)c2ccc(-c3nn[n-]n3)cc2)n1C ZINC000737551165 599288497 /nfs/dbraw/zinc/28/84/97/599288497.db2.gz GEAGTUFPOOPNPA-LLVKDONJSA-N -1 3 367.438 3.417 20 0 FGADHM CC(C)Cc1noc(CSc2ccc(-c3nnn[n-]3)cc2Cl)n1 ZINC000824280325 607844277 /nfs/dbraw/zinc/84/42/77/607844277.db2.gz JZFLZBLHDBHGAM-UHFFFAOYSA-N -1 3 350.835 3.394 20 0 FGADHM CC(C)Cc1noc(CSc2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000824280325 607844278 /nfs/dbraw/zinc/84/42/78/607844278.db2.gz JZFLZBLHDBHGAM-UHFFFAOYSA-N -1 3 350.835 3.394 20 0 FGADHM CN(CC(C)(C)C)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000821593640 599292000 /nfs/dbraw/zinc/29/20/00/599292000.db2.gz CPUANTBVOJGHRF-UHFFFAOYSA-N -1 3 356.352 3.395 20 0 FGADHM CN(CC(C)(C)C)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821593640 599292001 /nfs/dbraw/zinc/29/20/01/599292001.db2.gz CPUANTBVOJGHRF-UHFFFAOYSA-N -1 3 356.352 3.395 20 0 FGADHM Clc1cccc(-c2nnn[n-]2)c1NCCc1nnc(-c2ccccc2)o1 ZINC000822586347 607327562 /nfs/dbraw/zinc/32/75/62/607327562.db2.gz WFAVPQVSZJFJFS-UHFFFAOYSA-N -1 3 367.800 3.225 20 0 FGADHM Clc1cccc(-c2nn[n-]n2)c1NCCc1nnc(-c2ccccc2)o1 ZINC000822586347 607327563 /nfs/dbraw/zinc/32/75/63/607327563.db2.gz WFAVPQVSZJFJFS-UHFFFAOYSA-N -1 3 367.800 3.225 20 0 FGADHM O=C(Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)c1ccc[nH]c1=O ZINC000738183009 598232784 /nfs/dbraw/zinc/23/27/84/598232784.db2.gz HEYLOMANAUKOKN-UHFFFAOYSA-N -1 3 374.360 3.012 20 0 FGADHM O=C(Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)c1ccc[nH]c1=O ZINC000738183009 598232786 /nfs/dbraw/zinc/23/27/86/598232786.db2.gz HEYLOMANAUKOKN-UHFFFAOYSA-N -1 3 374.360 3.012 20 0 FGADHM Fc1cccc(Nc2cccc(OC[C@@H]3CCCO3)c2)c1-c1nnn[n-]1 ZINC000737663985 598237376 /nfs/dbraw/zinc/23/73/76/598237376.db2.gz LIOFXWZQZOVLAZ-AWEZNQCLSA-N -1 3 355.373 3.307 20 0 FGADHM Fc1cccc(Nc2cccc(OC[C@@H]3CCCO3)c2)c1-c1nn[n-]n1 ZINC000737663985 598237378 /nfs/dbraw/zinc/23/73/78/598237378.db2.gz LIOFXWZQZOVLAZ-AWEZNQCLSA-N -1 3 355.373 3.307 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1NCc1ccc(N2CCCCC2)nc1 ZINC000737645289 598239483 /nfs/dbraw/zinc/23/94/83/598239483.db2.gz VYYCPDWGUBPEQM-UHFFFAOYSA-N -1 3 353.405 3.003 20 0 FGADHM O=C(c1sccc1-c1nnn[n-]1)N1CCCC[C@H]1Cc1ccc(F)cc1 ZINC000738291093 598240439 /nfs/dbraw/zinc/24/04/39/598240439.db2.gz SBMFXCHZUMFJHR-AWEZNQCLSA-N -1 3 371.441 3.305 20 0 FGADHM O=C(c1sccc1-c1nn[n-]n1)N1CCCC[C@H]1Cc1ccc(F)cc1 ZINC000738291093 598240440 /nfs/dbraw/zinc/24/04/40/598240440.db2.gz SBMFXCHZUMFJHR-AWEZNQCLSA-N -1 3 371.441 3.305 20 0 FGADHM CC(C)(CNc1ccc(-c2nn[n-]n2)cc1F)c1ccc2c(c1)OCO2 ZINC000735671568 598242383 /nfs/dbraw/zinc/24/23/83/598242383.db2.gz ZRSFGCMJLMACKP-UHFFFAOYSA-N -1 3 355.373 3.124 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N1CC[C@H](c2cccc(F)c2)C1 ZINC000738152704 598256838 /nfs/dbraw/zinc/25/68/38/598256838.db2.gz YINUHFSGCQARAO-AWEZNQCLSA-N -1 3 352.373 3.027 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N1CC[C@H](c2cccc(F)c2)C1 ZINC000738152704 598256840 /nfs/dbraw/zinc/25/68/40/598256840.db2.gz YINUHFSGCQARAO-AWEZNQCLSA-N -1 3 352.373 3.027 20 0 FGADHM C[C@@](O)(CNc1ccc(C(F)(F)F)c(-c2nnn[n-]2)c1)c1ccsc1 ZINC000820469255 607346377 /nfs/dbraw/zinc/34/63/77/607346377.db2.gz YTEOBZXREIFVFP-CQSZACIVSA-N -1 3 369.372 3.267 20 0 FGADHM C[C@@](O)(CNc1ccc(C(F)(F)F)c(-c2nn[n-]n2)c1)c1ccsc1 ZINC000820469255 607346379 /nfs/dbraw/zinc/34/63/79/607346379.db2.gz YTEOBZXREIFVFP-CQSZACIVSA-N -1 3 369.372 3.267 20 0 FGADHM O=C(NCC1CC1)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000738045388 598267715 /nfs/dbraw/zinc/26/77/15/598267715.db2.gz OZUNRTDMUVAHFS-UHFFFAOYSA-N -1 3 350.382 3.191 20 0 FGADHM O=C(NCC1CC1)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738045388 598267716 /nfs/dbraw/zinc/26/77/16/598267716.db2.gz OZUNRTDMUVAHFS-UHFFFAOYSA-N -1 3 350.382 3.191 20 0 FGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)NCc1ccc2ccccc2c1 ZINC000738100665 598269768 /nfs/dbraw/zinc/26/97/68/598269768.db2.gz DAEMBQIHNPQADF-UHFFFAOYSA-N -1 3 358.405 3.019 20 0 FGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)NCc1ccc2ccccc2c1 ZINC000738100665 598269769 /nfs/dbraw/zinc/26/97/69/598269769.db2.gz DAEMBQIHNPQADF-UHFFFAOYSA-N -1 3 358.405 3.019 20 0 FGADHM Cc1noc(C)c1CN(C)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000737538543 598277110 /nfs/dbraw/zinc/27/71/10/598277110.db2.gz SUEADQYRABEFOZ-UHFFFAOYSA-N -1 3 352.320 3.127 20 0 FGADHM Cc1noc(C)c1CN(C)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000737538543 598277112 /nfs/dbraw/zinc/27/71/12/598277112.db2.gz SUEADQYRABEFOZ-UHFFFAOYSA-N -1 3 352.320 3.127 20 0 FGADHM CCOc1ccc(CCC(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000736644048 598279641 /nfs/dbraw/zinc/27/96/41/598279641.db2.gz QRKVRDQISYHWOX-UHFFFAOYSA-N -1 3 369.400 3.000 20 0 FGADHM CCOc1ccc(CCC(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000736644048 598279642 /nfs/dbraw/zinc/27/96/42/598279642.db2.gz QRKVRDQISYHWOX-UHFFFAOYSA-N -1 3 369.400 3.000 20 0 FGADHM C[C@H](c1ccco1)N(C)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736202704 598281212 /nfs/dbraw/zinc/28/12/12/598281212.db2.gz JIZBTOPEELOQIN-LLVKDONJSA-N -1 3 357.418 3.241 20 0 FGADHM C[C@H](c1ccco1)N(C)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736202704 598281213 /nfs/dbraw/zinc/28/12/13/598281213.db2.gz JIZBTOPEELOQIN-LLVKDONJSA-N -1 3 357.418 3.241 20 0 FGADHM Cc1nc2ccccc2cc1C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000737489489 598282570 /nfs/dbraw/zinc/28/25/70/598282570.db2.gz IVXTZRWVZLCRGN-UHFFFAOYSA-N -1 3 362.368 3.139 20 0 FGADHM Cc1nc2ccccc2cc1C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000737489489 598282571 /nfs/dbraw/zinc/28/25/71/598282571.db2.gz IVXTZRWVZLCRGN-UHFFFAOYSA-N -1 3 362.368 3.139 20 0 FGADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)N[C@@H]1CCCCc2ccccc21 ZINC000738117900 598284270 /nfs/dbraw/zinc/28/42/70/598284270.db2.gz YKEYMRQUISMAKX-GOSISDBHSA-N -1 3 362.437 3.134 20 0 FGADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)N[C@@H]1CCCCc2ccccc21 ZINC000738117900 598284271 /nfs/dbraw/zinc/28/42/71/598284271.db2.gz YKEYMRQUISMAKX-GOSISDBHSA-N -1 3 362.437 3.134 20 0 FGADHM COCCCOc1ccccc1NCc1ccc(-c2nnn[n-]2)cc1F ZINC000736987875 598284780 /nfs/dbraw/zinc/28/47/80/598284780.db2.gz LWLQMBOEWMLVBP-UHFFFAOYSA-N -1 3 357.389 3.033 20 0 FGADHM COCCCOc1ccccc1NCc1ccc(-c2nn[n-]n2)cc1F ZINC000736987875 598284782 /nfs/dbraw/zinc/28/47/82/598284782.db2.gz LWLQMBOEWMLVBP-UHFFFAOYSA-N -1 3 357.389 3.033 20 0 FGADHM Cc1ccc(NC(=S)NCc2ccc(-c3nnn[n-]3)cc2F)cc1C ZINC000737358924 598298130 /nfs/dbraw/zinc/29/81/30/598298130.db2.gz BJVOLBMRTUXJFP-UHFFFAOYSA-N -1 3 356.430 3.109 20 0 FGADHM Cc1ccc(NC(=S)NCc2ccc(-c3nn[n-]n3)cc2F)cc1C ZINC000737358924 598298132 /nfs/dbraw/zinc/29/81/32/598298132.db2.gz BJVOLBMRTUXJFP-UHFFFAOYSA-N -1 3 356.430 3.109 20 0 FGADHM Cc1ccc(CN(C)C(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)o1 ZINC000737343129 598317962 /nfs/dbraw/zinc/31/79/62/598317962.db2.gz VGVYFYLJLBQEBW-UHFFFAOYSA-N -1 3 362.846 3.250 20 0 FGADHM Cc1ccc(CN(C)C(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)o1 ZINC000737343129 598317964 /nfs/dbraw/zinc/31/79/64/598317964.db2.gz VGVYFYLJLBQEBW-UHFFFAOYSA-N -1 3 362.846 3.250 20 0 FGADHM S=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CCCc2ncccc21 ZINC000738401781 598319734 /nfs/dbraw/zinc/31/97/34/598319734.db2.gz UGUSILSBSIMTQM-UHFFFAOYSA-N -1 3 371.857 3.065 20 0 FGADHM S=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CCCc2ncccc21 ZINC000738401781 598319736 /nfs/dbraw/zinc/31/97/36/598319736.db2.gz UGUSILSBSIMTQM-UHFFFAOYSA-N -1 3 371.857 3.065 20 0 FGADHM CC(C)Oc1ccc(NC(=S)N(C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735912401 598321111 /nfs/dbraw/zinc/32/11/11/598321111.db2.gz BNGKSBBFIJEZCE-UHFFFAOYSA-N -1 3 368.466 3.487 20 0 FGADHM CC(C)Oc1ccc(NC(=S)N(C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735912401 598321113 /nfs/dbraw/zinc/32/11/13/598321113.db2.gz BNGKSBBFIJEZCE-UHFFFAOYSA-N -1 3 368.466 3.487 20 0 FGADHM CC(C)Oc1ccccc1NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000735914839 598323254 /nfs/dbraw/zinc/32/32/54/598323254.db2.gz ULKGATPLXOVTKP-UHFFFAOYSA-N -1 3 370.388 3.115 20 0 FGADHM CC(C)Oc1ccccc1NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000735914839 598323256 /nfs/dbraw/zinc/32/32/56/598323256.db2.gz ULKGATPLXOVTKP-UHFFFAOYSA-N -1 3 370.388 3.115 20 0 FGADHM CN(CC1CCCC1)C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736794434 598323731 /nfs/dbraw/zinc/32/37/31/598323731.db2.gz SSJFPEXKMUUANP-UHFFFAOYSA-N -1 3 350.879 3.339 20 0 FGADHM CN(CC1CCCC1)C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736794434 598323732 /nfs/dbraw/zinc/32/37/32/598323732.db2.gz SSJFPEXKMUUANP-UHFFFAOYSA-N -1 3 350.879 3.339 20 0 FGADHM CC(C)c1nc(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)cs1 ZINC000735940450 598325311 /nfs/dbraw/zinc/32/53/11/598325311.db2.gz ZKCDLQLPUJAAHR-UHFFFAOYSA-N -1 3 368.466 3.251 20 0 FGADHM CC(C)c1nc(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)cs1 ZINC000735940450 598325312 /nfs/dbraw/zinc/32/53/12/598325312.db2.gz ZKCDLQLPUJAAHR-UHFFFAOYSA-N -1 3 368.466 3.251 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)c1csc(C(C)(C)C)n1 ZINC000736625320 598325832 /nfs/dbraw/zinc/32/58/32/598325832.db2.gz ALGADJKWFSOUKZ-UHFFFAOYSA-N -1 3 373.438 3.239 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)c1csc(C(C)(C)C)n1 ZINC000736625320 598325833 /nfs/dbraw/zinc/32/58/33/598325833.db2.gz ALGADJKWFSOUKZ-UHFFFAOYSA-N -1 3 373.438 3.239 20 0 FGADHM CCC1CCC(N(C)C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000736395723 598326296 /nfs/dbraw/zinc/32/62/96/598326296.db2.gz KTWAKRZLKUEZOQ-UHFFFAOYSA-N -1 3 360.437 3.116 20 0 FGADHM CCC1CCC(N(C)C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000736395723 598326298 /nfs/dbraw/zinc/32/62/98/598326298.db2.gz KTWAKRZLKUEZOQ-UHFFFAOYSA-N -1 3 360.437 3.116 20 0 FGADHM C[C@@H](NC(=O)c1csc(C(C)(C)C)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736128532 598326782 /nfs/dbraw/zinc/32/67/82/598326782.db2.gz XXXZJIMNFLVKCG-SNVBAGLBSA-N -1 3 356.455 3.112 20 0 FGADHM C[C@@H](NC(=O)c1csc(C(C)(C)C)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736128532 598326783 /nfs/dbraw/zinc/32/67/83/598326783.db2.gz XXXZJIMNFLVKCG-SNVBAGLBSA-N -1 3 356.455 3.112 20 0 FGADHM CN(CCC1CCCCC1)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000736791821 598328293 /nfs/dbraw/zinc/32/82/93/598328293.db2.gz HYMDREUDWXCPOS-UHFFFAOYSA-N -1 3 360.437 3.118 20 0 FGADHM CN(CCC1CCCCC1)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000736791821 598328295 /nfs/dbraw/zinc/32/82/95/598328295.db2.gz HYMDREUDWXCPOS-UHFFFAOYSA-N -1 3 360.437 3.118 20 0 FGADHM Cc1ccccc1C1(CNC(=O)C=Cc2ccccc2-c2nnn[n-]2)CC1 ZINC000737420164 598328622 /nfs/dbraw/zinc/32/86/22/598328622.db2.gz JDHFMXJJEHTYKL-KHPPLWFESA-N -1 3 359.433 3.036 20 0 FGADHM Cc1ccccc1C1(CNC(=O)C=Cc2ccccc2-c2nn[n-]n2)CC1 ZINC000737420164 598328624 /nfs/dbraw/zinc/32/86/24/598328624.db2.gz JDHFMXJJEHTYKL-KHPPLWFESA-N -1 3 359.433 3.036 20 0 FGADHM C[C@@H](OC(=O)c1ccc(Br)o1)c1cccc(-c2nnn[n-]2)c1 ZINC000736159064 598331442 /nfs/dbraw/zinc/33/14/42/598331442.db2.gz UCCMIXVAGMBXDJ-MRVPVSSYSA-N -1 3 363.171 3.140 20 0 FGADHM C[C@@H](OC(=O)c1ccc(Br)o1)c1cccc(-c2nn[n-]n2)c1 ZINC000736159064 598331443 /nfs/dbraw/zinc/33/14/43/598331443.db2.gz UCCMIXVAGMBXDJ-MRVPVSSYSA-N -1 3 363.171 3.140 20 0 FGADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)N1CCCC[C@H]1Cc1ccccc1 ZINC000737960863 598332368 /nfs/dbraw/zinc/33/23/68/598332368.db2.gz IQPWQINHJKMDHM-IBGZPJMESA-N -1 3 361.449 3.033 20 0 FGADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)N1CCCC[C@H]1Cc1ccccc1 ZINC000737960863 598332370 /nfs/dbraw/zinc/33/23/70/598332370.db2.gz IQPWQINHJKMDHM-IBGZPJMESA-N -1 3 361.449 3.033 20 0 FGADHM CCN(C(=O)c1sccc1OC)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736509169 598358722 /nfs/dbraw/zinc/35/87/22/598358722.db2.gz TZXXEQJCNIYRDP-LLVKDONJSA-N -1 3 357.439 3.160 20 0 FGADHM CCN(C(=O)c1sccc1OC)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736509169 598358724 /nfs/dbraw/zinc/35/87/24/598358724.db2.gz TZXXEQJCNIYRDP-LLVKDONJSA-N -1 3 357.439 3.160 20 0 FGADHM S=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1Cc2ccccc2C1 ZINC000738410300 598360111 /nfs/dbraw/zinc/36/01/11/598360111.db2.gz YOYKJPSOIZIEBB-UHFFFAOYSA-N -1 3 356.842 3.233 20 0 FGADHM S=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1Cc2ccccc2C1 ZINC000738410300 598360113 /nfs/dbraw/zinc/36/01/13/598360113.db2.gz YOYKJPSOIZIEBB-UHFFFAOYSA-N -1 3 356.842 3.233 20 0 FGADHM C[C@@H](CC(=O)OCCOc1cccc(-c2nnn[n-]2)c1)c1ccccc1F ZINC000735974953 598370927 /nfs/dbraw/zinc/37/09/27/598370927.db2.gz DWXMIGMQQJQDOI-ZDUSSCGKSA-N -1 3 370.384 3.122 20 0 FGADHM C[C@@H](CC(=O)OCCOc1cccc(-c2nn[n-]n2)c1)c1ccccc1F ZINC000735974953 598370928 /nfs/dbraw/zinc/37/09/28/598370928.db2.gz DWXMIGMQQJQDOI-ZDUSSCGKSA-N -1 3 370.384 3.122 20 0 FGADHM Cc1oc(-c2ccsc2)nc1COC(=O)c1sccc1-c1nnn[n-]1 ZINC000737548199 598371329 /nfs/dbraw/zinc/37/13/29/598371329.db2.gz OGYUXTACBVXNCF-UHFFFAOYSA-N -1 3 373.419 3.310 20 0 FGADHM CCN(C(=O)CNc1ccc(-c2nn[n-]n2)cc1)[C@@H](C)c1ccc(F)cc1 ZINC000736505683 598382723 /nfs/dbraw/zinc/38/27/23/598382723.db2.gz QWFQKUXZVPWOKL-ZDUSSCGKSA-N -1 3 368.416 3.027 20 0 FGADHM CN(CCCCNc1ncc(-c2nnn[n-]2)cc1Cl)c1ccccc1 ZINC000736791279 598390540 /nfs/dbraw/zinc/39/05/40/598390540.db2.gz DCOPLGLTCJSVQU-UHFFFAOYSA-N -1 3 357.849 3.244 20 0 FGADHM CN(CCCCNc1ncc(-c2nn[n-]n2)cc1Cl)c1ccccc1 ZINC000736791279 598390542 /nfs/dbraw/zinc/39/05/42/598390542.db2.gz DCOPLGLTCJSVQU-UHFFFAOYSA-N -1 3 357.849 3.244 20 0 FGADHM CCc1cccc2c1OCC[C@H]2Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC000736695314 598393172 /nfs/dbraw/zinc/39/31/72/598393172.db2.gz LEBUJARHIQKJTG-CQSZACIVSA-N -1 3 356.817 3.413 20 0 FGADHM CCc1cccc2c1OCC[C@H]2Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC000736695314 598393175 /nfs/dbraw/zinc/39/31/75/598393175.db2.gz LEBUJARHIQKJTG-CQSZACIVSA-N -1 3 356.817 3.413 20 0 FGADHM CO[C@](C)(C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccccc1 ZINC000736957347 598394524 /nfs/dbraw/zinc/39/45/24/598394524.db2.gz QQIXDFHILKOLAH-KRWDZBQOSA-N -1 3 357.801 3.020 20 0 FGADHM CO[C@](C)(C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccccc1 ZINC000736957347 598394525 /nfs/dbraw/zinc/39/45/25/598394525.db2.gz QQIXDFHILKOLAH-KRWDZBQOSA-N -1 3 357.801 3.020 20 0 FGADHM CCc1c(C)sc(NC(=O)c2cc(C(C)=O)cs2)c1-c1nnn[n-]1 ZINC000736676922 598396823 /nfs/dbraw/zinc/39/68/23/598396823.db2.gz VYWFGRWYZWUXEZ-UHFFFAOYSA-N -1 3 361.452 3.315 20 0 FGADHM CCc1c(C)sc(NC(=O)c2cc(C(C)=O)cs2)c1-c1nn[n-]n1 ZINC000736676922 598396824 /nfs/dbraw/zinc/39/68/24/598396824.db2.gz VYWFGRWYZWUXEZ-UHFFFAOYSA-N -1 3 361.452 3.315 20 0 FGADHM COc1ccc(OC(C)C)c(NCCOc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737107372 598403646 /nfs/dbraw/zinc/40/36/46/598403646.db2.gz CCCJPNZGVJIKNJ-UHFFFAOYSA-N -1 3 369.425 3.153 20 0 FGADHM CC/C=C/COC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000736411570 598414177 /nfs/dbraw/zinc/41/41/77/598414177.db2.gz OUXIJYYFNRNSDI-ONEGZZNKSA-N -1 3 354.366 3.162 20 0 FGADHM CC/C=C/COC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000736411570 598414179 /nfs/dbraw/zinc/41/41/79/598414179.db2.gz OUXIJYYFNRNSDI-ONEGZZNKSA-N -1 3 354.366 3.162 20 0 FGADHM Cc1ccc(F)c(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(C)C)c1 ZINC000737343855 598418556 /nfs/dbraw/zinc/41/85/56/598418556.db2.gz WECLEXXXRWFXGL-UHFFFAOYSA-N -1 3 355.373 3.354 20 0 FGADHM Cc1ccc(F)c(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(C)C)c1 ZINC000737343855 598418557 /nfs/dbraw/zinc/41/85/57/598418557.db2.gz WECLEXXXRWFXGL-UHFFFAOYSA-N -1 3 355.373 3.354 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)c1sccc1SC ZINC000736628209 598418874 /nfs/dbraw/zinc/41/88/74/598418874.db2.gz UJAHOZPOIZPVKY-UHFFFAOYSA-N -1 3 362.436 3.268 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)c1sccc1SC ZINC000736628209 598418876 /nfs/dbraw/zinc/41/88/76/598418876.db2.gz UJAHOZPOIZPVKY-UHFFFAOYSA-N -1 3 362.436 3.268 20 0 FGADHM Cc1cc(C)cc([C@@H](C)NC(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)c1 ZINC000737252848 598422975 /nfs/dbraw/zinc/42/29/75/598422975.db2.gz MOXUSMPPHFXJCH-HUUCEWRRSA-N -1 3 365.437 3.128 20 0 FGADHM Cc1cc(C)cc([C@@H](C)NC(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)c1 ZINC000737252848 598422977 /nfs/dbraw/zinc/42/29/77/598422977.db2.gz MOXUSMPPHFXJCH-HUUCEWRRSA-N -1 3 365.437 3.128 20 0 FGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N1CC[C@H](c2ccccc2F)C1 ZINC000738178898 598429231 /nfs/dbraw/zinc/42/92/31/598429231.db2.gz MTPAYXGUWHBZID-ZDUSSCGKSA-N -1 3 352.373 3.027 20 0 FGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N1CC[C@H](c2ccccc2F)C1 ZINC000738178898 598429233 /nfs/dbraw/zinc/42/92/33/598429233.db2.gz MTPAYXGUWHBZID-ZDUSSCGKSA-N -1 3 352.373 3.027 20 0 FGADHM Cc1cccc(N(Cc2ccccc2)C(=O)c2ccc(-c3nnn[n-]3)cn2)c1 ZINC000737395683 598438981 /nfs/dbraw/zinc/43/89/81/598438981.db2.gz FBZLGJSREXPQLX-UHFFFAOYSA-N -1 3 370.416 3.417 20 0 FGADHM Cc1cccc(N(Cc2ccccc2)C(=O)c2ccc(-c3nn[n-]n3)cn2)c1 ZINC000737395683 598438983 /nfs/dbraw/zinc/43/89/83/598438983.db2.gz FBZLGJSREXPQLX-UHFFFAOYSA-N -1 3 370.416 3.417 20 0 FGADHM O=C(OCc1sc2ccccc2c1Cl)c1ccc(-c2nnn[n-]2)cn1 ZINC000738250968 598442047 /nfs/dbraw/zinc/44/20/47/598442047.db2.gz JHFXGUDOYQELIX-UHFFFAOYSA-N -1 3 371.809 3.487 20 0 FGADHM O=C(OCc1sc2ccccc2c1Cl)c1ccc(-c2nn[n-]n2)cn1 ZINC000738250968 598442048 /nfs/dbraw/zinc/44/20/48/598442048.db2.gz JHFXGUDOYQELIX-UHFFFAOYSA-N -1 3 371.809 3.487 20 0 FGADHM CCC(CC)[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)cn1)c1cccs1 ZINC000736337676 598446632 /nfs/dbraw/zinc/44/66/32/598446632.db2.gz MXSOQIKUPPJNSN-OAHLLOKOSA-N -1 3 356.455 3.231 20 0 FGADHM CCC(CC)[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)cn1)c1cccs1 ZINC000736337676 598446634 /nfs/dbraw/zinc/44/66/34/598446634.db2.gz MXSOQIKUPPJNSN-OAHLLOKOSA-N -1 3 356.455 3.231 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)ccc1OCc1cc(-c2ccccc2)on1 ZINC000736625980 598471591 /nfs/dbraw/zinc/47/15/91/598471591.db2.gz JCHYVWKCOOVMIY-UHFFFAOYSA-N -1 3 363.377 3.499 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)ccc1OCc1cc(-c2ccccc2)on1 ZINC000736625980 598471592 /nfs/dbraw/zinc/47/15/92/598471592.db2.gz JCHYVWKCOOVMIY-UHFFFAOYSA-N -1 3 363.377 3.499 20 0 FGADHM O=C(NCC1CCCCC1)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000738044516 598476830 /nfs/dbraw/zinc/47/68/30/598476830.db2.gz KQRUNTOEANWUDQ-UHFFFAOYSA-N -1 3 354.458 3.121 20 0 FGADHM O=C(NCC1CCCCC1)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000738044516 598476831 /nfs/dbraw/zinc/47/68/31/598476831.db2.gz KQRUNTOEANWUDQ-UHFFFAOYSA-N -1 3 354.458 3.121 20 0 FGADHM O=C(NCCC1CCCC1)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000738055305 598479077 /nfs/dbraw/zinc/47/90/77/598479077.db2.gz KFOZGNJFLUOEOT-UHFFFAOYSA-N -1 3 354.458 3.121 20 0 FGADHM O=C(NCCC1CCCC1)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000738055305 598479079 /nfs/dbraw/zinc/47/90/79/598479079.db2.gz KFOZGNJFLUOEOT-UHFFFAOYSA-N -1 3 354.458 3.121 20 0 FGADHM CCSCCOC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000736667509 598481620 /nfs/dbraw/zinc/48/16/20/598481620.db2.gz SBDJHVVWJRMGGB-UHFFFAOYSA-N -1 3 354.435 3.444 20 0 FGADHM CCSCCOC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000736667509 598481621 /nfs/dbraw/zinc/48/16/21/598481621.db2.gz SBDJHVVWJRMGGB-UHFFFAOYSA-N -1 3 354.435 3.444 20 0 FGADHM C[C@@H](OC(=O)c1ccc(-c2cnco2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000736158405 598482886 /nfs/dbraw/zinc/48/28/86/598482886.db2.gz HMKROUIDCTYYBE-GFCCVEGCSA-N -1 3 361.361 3.440 20 0 FGADHM C[C@@H](OC(=O)c1ccc(-c2cnco2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000736158405 598482888 /nfs/dbraw/zinc/48/28/88/598482888.db2.gz HMKROUIDCTYYBE-GFCCVEGCSA-N -1 3 361.361 3.440 20 0 FGADHM C[C@@H](OC(=O)c1cnc(-c2ccccc2)nc1)c1cccc(-c2nnn[n-]2)c1 ZINC000736164170 598482962 /nfs/dbraw/zinc/48/29/62/598482962.db2.gz UXEINEXYPDGSAJ-CYBMUJFWSA-N -1 3 372.388 3.242 20 0 FGADHM C[C@@H](OC(=O)c1cnc(-c2ccccc2)nc1)c1cccc(-c2nn[n-]n2)c1 ZINC000736164170 598482964 /nfs/dbraw/zinc/48/29/64/598482964.db2.gz UXEINEXYPDGSAJ-CYBMUJFWSA-N -1 3 372.388 3.242 20 0 FGADHM CC(C)Oc1cccc(OC(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)c1 ZINC000735913833 598485110 /nfs/dbraw/zinc/48/51/10/598485110.db2.gz RVWGUVVWVHHIIU-CYBMUJFWSA-N -1 3 368.393 3.027 20 0 FGADHM CC(C)Oc1cccc(OC(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)c1 ZINC000735913833 598485111 /nfs/dbraw/zinc/48/51/11/598485111.db2.gz RVWGUVVWVHHIIU-CYBMUJFWSA-N -1 3 368.393 3.027 20 0 FGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)[C@H]1CCc2ccccc21 ZINC000735654243 598488941 /nfs/dbraw/zinc/48/89/41/598488941.db2.gz CCYGMAXFQBRSSB-HNNXBMFYSA-N -1 3 350.426 3.092 20 0 FGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)[C@H]1CCc2ccccc21 ZINC000735654243 598488942 /nfs/dbraw/zinc/48/89/42/598488942.db2.gz CCYGMAXFQBRSSB-HNNXBMFYSA-N -1 3 350.426 3.092 20 0 FGADHM CC(C)Cc1nc(C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)cs1 ZINC000735851308 598489241 /nfs/dbraw/zinc/48/92/41/598489241.db2.gz PJXXDPCPXONPQR-UHFFFAOYSA-N -1 3 373.486 3.331 20 0 FGADHM CC(C)Cc1nc(C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)cs1 ZINC000735851308 598489242 /nfs/dbraw/zinc/48/92/42/598489242.db2.gz PJXXDPCPXONPQR-UHFFFAOYSA-N -1 3 373.486 3.331 20 0 FGADHM O=C(c1ccc(-c2nnn[n-]2)cn1)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000738261581 598496822 /nfs/dbraw/zinc/49/68/22/598496822.db2.gz PJKLSHCAXVTDNO-GOSISDBHSA-N -1 3 373.420 3.110 20 0 FGADHM O=C(c1ccc(-c2nn[n-]n2)cn1)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000738261581 598496823 /nfs/dbraw/zinc/49/68/23/598496823.db2.gz PJKLSHCAXVTDNO-GOSISDBHSA-N -1 3 373.420 3.110 20 0 FGADHM COc1ccccc1[C@@H](Nc1ccc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC000737149009 598502824 /nfs/dbraw/zinc/50/28/24/598502824.db2.gz UTLWBPCFFOSUKF-IBGZPJMESA-N -1 3 358.405 3.472 20 0 FGADHM COc1ccccc1[C@@H](Nc1ccc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC000737149009 598502825 /nfs/dbraw/zinc/50/28/25/598502825.db2.gz UTLWBPCFFOSUKF-IBGZPJMESA-N -1 3 358.405 3.472 20 0 FGADHM CC(C)N(C(=O)CSCc1ccc(-c2nnn[n-]2)cc1)C1CCCC1 ZINC000735851523 598503563 /nfs/dbraw/zinc/50/35/63/598503563.db2.gz YKDGQZJMKZDIMX-UHFFFAOYSA-N -1 3 359.499 3.280 20 0 FGADHM CC(C)N(C(=O)CSCc1ccc(-c2nn[n-]n2)cc1)C1CCCC1 ZINC000735851523 598503564 /nfs/dbraw/zinc/50/35/64/598503564.db2.gz YKDGQZJMKZDIMX-UHFFFAOYSA-N -1 3 359.499 3.280 20 0 FGADHM O[C@H](c1ccc(F)cc1)C1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000738387975 598504699 /nfs/dbraw/zinc/50/46/99/598504699.db2.gz QYPHCWRRQSQHQZ-GOSISDBHSA-N -1 3 371.391 3.095 20 0 FGADHM CC(=O)Nc1cccc2c1CCN(c1ccc(-c3nnn[n-]3)c(Cl)c1)C2 ZINC000735489232 598507056 /nfs/dbraw/zinc/50/70/56/598507056.db2.gz XMBHGEQOQPBVMB-UHFFFAOYSA-N -1 3 368.828 3.041 20 0 FGADHM CC(=O)Nc1cccc2c1CCN(c1ccc(-c3nn[n-]n3)c(Cl)c1)C2 ZINC000735489232 598507057 /nfs/dbraw/zinc/50/70/57/598507057.db2.gz XMBHGEQOQPBVMB-UHFFFAOYSA-N -1 3 368.828 3.041 20 0 FGADHM CCc1c(C)sc(NC(=O)COc2ccccc2CC)c1-c1nnn[n-]1 ZINC000736702892 598518051 /nfs/dbraw/zinc/51/80/51/598518051.db2.gz YECBXGVKDGZCMU-UHFFFAOYSA-N -1 3 371.466 3.379 20 0 FGADHM CCc1c(C)sc(NC(=O)COc2ccccc2CC)c1-c1nn[n-]n1 ZINC000736702892 598518053 /nfs/dbraw/zinc/51/80/53/598518053.db2.gz YECBXGVKDGZCMU-UHFFFAOYSA-N -1 3 371.466 3.379 20 0 FGADHM Fc1ccc([C@H](NCc2ccc(-c3nn[n-]n3)cc2)c2ccccn2)cc1 ZINC000737650177 598526837 /nfs/dbraw/zinc/52/68/37/598526837.db2.gz NZIWLRYOCJTHKD-IBGZPJMESA-N -1 3 360.396 3.280 20 0 FGADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)c1ccc(Cl)s1 ZINC000738146185 598547280 /nfs/dbraw/zinc/54/72/80/598547280.db2.gz QSUHDMQVYLTAOO-UHFFFAOYSA-N -1 3 371.756 3.435 20 0 FGADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)c1ccc(Cl)s1 ZINC000738146185 598547282 /nfs/dbraw/zinc/54/72/82/598547282.db2.gz QSUHDMQVYLTAOO-UHFFFAOYSA-N -1 3 371.756 3.435 20 0 FGADHM Cc1[nH]c2ccccc2c1C(=O)COc1ccc(-c2nnn[n-]2)c(F)c1 ZINC000737200891 598548298 /nfs/dbraw/zinc/54/82/98/598548298.db2.gz VUTUOXOVIBYXSD-UHFFFAOYSA-N -1 3 351.341 3.057 20 0 FGADHM Cc1[nH]c2ccccc2c1C(=O)COc1ccc(-c2nn[n-]n2)c(F)c1 ZINC000737200891 598548299 /nfs/dbraw/zinc/54/82/99/598548299.db2.gz VUTUOXOVIBYXSD-UHFFFAOYSA-N -1 3 351.341 3.057 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ncnc2c1cnn2-c1ccccc1 ZINC000737221579 598551087 /nfs/dbraw/zinc/55/10/87/598551087.db2.gz PAAFHNIRJUZIQQ-UHFFFAOYSA-N -1 3 370.376 3.096 20 0 FGADHM O=C(COCC1CC1)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737915281 598555526 /nfs/dbraw/zinc/55/55/26/598555526.db2.gz BHKIXHTXDPKKCF-UHFFFAOYSA-N -1 3 365.393 3.024 20 0 FGADHM O=C(COCC1CC1)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737915281 598555528 /nfs/dbraw/zinc/55/55/28/598555528.db2.gz BHKIXHTXDPKKCF-UHFFFAOYSA-N -1 3 365.393 3.024 20 0 FGADHM O=C(Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)c1ccncc1 ZINC000738171635 598555912 /nfs/dbraw/zinc/55/59/12/598555912.db2.gz IBWZUDLKNABCKX-UHFFFAOYSA-N -1 3 358.361 3.306 20 0 FGADHM O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)c1ccncc1 ZINC000738171635 598555914 /nfs/dbraw/zinc/55/59/14/598555914.db2.gz IBWZUDLKNABCKX-UHFFFAOYSA-N -1 3 358.361 3.306 20 0 FGADHM C[C@@H](NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)c1ccccc1 ZINC000736116137 598559769 /nfs/dbraw/zinc/55/97/69/598559769.db2.gz CSHIGQFXGDXBOY-SNVBAGLBSA-N -1 3 374.351 3.351 20 0 FGADHM C[C@@H](NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)c1ccccc1 ZINC000736116137 598559770 /nfs/dbraw/zinc/55/97/70/598559770.db2.gz CSHIGQFXGDXBOY-SNVBAGLBSA-N -1 3 374.351 3.351 20 0 FGADHM C[C@H]1CCC[C@H](NC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)C1 ZINC000736261297 598561385 /nfs/dbraw/zinc/56/13/85/598561385.db2.gz NIKVUQPYPKANCL-ONGXEEELSA-N -1 3 366.372 3.168 20 0 FGADHM C[C@H]1CCC[C@H](NC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)C1 ZINC000736261297 598561387 /nfs/dbraw/zinc/56/13/87/598561387.db2.gz NIKVUQPYPKANCL-ONGXEEELSA-N -1 3 366.372 3.168 20 0 FGADHM O=C(Oc1ccccc1Cl)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738246089 598571175 /nfs/dbraw/zinc/57/11/75/598571175.db2.gz ARMXSGVJUQXVDK-HNNXBMFYSA-N -1 3 369.812 3.095 20 0 FGADHM O[C@H](CNc1nc2c(cc1-c1nnn[n-]1)CCC2)c1ccc2ccccc2c1 ZINC000738382074 598580733 /nfs/dbraw/zinc/58/07/33/598580733.db2.gz JXRAIOAJNMYHFX-LJQANCHMSA-N -1 3 372.432 3.049 20 0 FGADHM O[C@H](CNc1nc2c(cc1-c1nn[n-]n1)CCC2)c1ccc2ccccc2c1 ZINC000738382074 598580734 /nfs/dbraw/zinc/58/07/34/598580734.db2.gz JXRAIOAJNMYHFX-LJQANCHMSA-N -1 3 372.432 3.049 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1cc(Cl)cc2cccnc21 ZINC000738167299 598585446 /nfs/dbraw/zinc/58/54/46/598585446.db2.gz QTCNNPVVGILMFF-UHFFFAOYSA-N -1 3 368.759 3.460 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1cc(Cl)cc2cccnc21 ZINC000738167299 598585448 /nfs/dbraw/zinc/58/54/48/598585448.db2.gz QTCNNPVVGILMFF-UHFFFAOYSA-N -1 3 368.759 3.460 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1nc(-c2ccccc2)cs1 ZINC000738165723 598586947 /nfs/dbraw/zinc/58/69/47/598586947.db2.gz NAOQERSRZKJIFA-UHFFFAOYSA-N -1 3 366.381 3.382 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1nc(-c2ccccc2)cs1 ZINC000738165723 598586949 /nfs/dbraw/zinc/58/69/49/598586949.db2.gz NAOQERSRZKJIFA-UHFFFAOYSA-N -1 3 366.381 3.382 20 0 FGADHM O=C(CCSc1ccc(F)cc1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737849855 598591030 /nfs/dbraw/zinc/59/10/30/598591030.db2.gz KAXUBGXWEPVJFR-UHFFFAOYSA-N -1 3 361.377 3.266 20 0 FGADHM O=C(CCSc1ccc(F)cc1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737849855 598591032 /nfs/dbraw/zinc/59/10/32/598591032.db2.gz KAXUBGXWEPVJFR-UHFFFAOYSA-N -1 3 361.377 3.266 20 0 FGADHM CCC[C@@H](NC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1)C1CCCCC1 ZINC000736426033 598593015 /nfs/dbraw/zinc/59/30/15/598593015.db2.gz NIBGWZUZMAJLRI-WMLDXEAASA-N -1 3 371.485 3.499 20 0 FGADHM CCC[C@@H](NC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1)C1CCCCC1 ZINC000736426033 598593017 /nfs/dbraw/zinc/59/30/17/598593017.db2.gz NIBGWZUZMAJLRI-WMLDXEAASA-N -1 3 371.485 3.499 20 0 FGADHM O=C(NCc1cccc2ccccc21)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738116698 598628047 /nfs/dbraw/zinc/62/80/47/598628047.db2.gz LSEYTWMNZNHGAA-UHFFFAOYSA-N -1 3 362.368 3.481 20 0 FGADHM O=C(NCc1cccc2ccccc21)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738116698 598628048 /nfs/dbraw/zinc/62/80/48/598628048.db2.gz LSEYTWMNZNHGAA-UHFFFAOYSA-N -1 3 362.368 3.481 20 0 FGADHM Clc1cccc(-c2nnn[n-]2)c1NCc1ccccc1Cn1cccn1 ZINC000737575216 598632580 /nfs/dbraw/zinc/63/25/80/598632580.db2.gz NOEHZUYRDQSBTC-UHFFFAOYSA-N -1 3 365.828 3.377 20 0 FGADHM Clc1cccc(-c2nn[n-]n2)c1NCc1ccccc1Cn1cccn1 ZINC000737575216 598632582 /nfs/dbraw/zinc/63/25/82/598632582.db2.gz NOEHZUYRDQSBTC-UHFFFAOYSA-N -1 3 365.828 3.377 20 0 FGADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)Nc1c(F)cccc1F ZINC000737832733 598645538 /nfs/dbraw/zinc/64/55/38/598645538.db2.gz KVSQNYFSNBFFQQ-UHFFFAOYSA-N -1 3 373.363 3.333 20 0 FGADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)Nc1c(F)cccc1F ZINC000737832733 598645539 /nfs/dbraw/zinc/64/55/39/598645539.db2.gz KVSQNYFSNBFFQQ-UHFFFAOYSA-N -1 3 373.363 3.333 20 0 FGADHM CC(C)(C)c1csc(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000735657068 598648491 /nfs/dbraw/zinc/64/84/91/598648491.db2.gz OAZWDGHNBOUOQD-UHFFFAOYSA-N -1 3 374.495 3.352 20 0 FGADHM CC(C)(C)c1csc(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000735657068 598648493 /nfs/dbraw/zinc/64/84/93/598648493.db2.gz OAZWDGHNBOUOQD-UHFFFAOYSA-N -1 3 374.495 3.352 20 0 FGADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)N(C1CC1)C1CCCC1 ZINC000737831662 598650164 /nfs/dbraw/zinc/65/01/64/598650164.db2.gz CHFVPOPBDSNOCJ-UHFFFAOYSA-N -1 3 369.469 3.349 20 0 FGADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)N(C1CC1)C1CCCC1 ZINC000737831662 598650166 /nfs/dbraw/zinc/65/01/66/598650166.db2.gz CHFVPOPBDSNOCJ-UHFFFAOYSA-N -1 3 369.469 3.349 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(C)(C)c1ccc(C)cc1 ZINC000736635285 598656520 /nfs/dbraw/zinc/65/65/20/598656520.db2.gz LOPKAAIUKOSVIK-UHFFFAOYSA-N -1 3 365.437 3.490 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(C)(C)c1ccc(C)cc1 ZINC000736635285 598656521 /nfs/dbraw/zinc/65/65/21/598656521.db2.gz LOPKAAIUKOSVIK-UHFFFAOYSA-N -1 3 365.437 3.490 20 0 FGADHM CC(=O)c1ccc(OC(=O)CSc2ccc(-c3nnn[n-]3)cc2)c(C)c1 ZINC000735495565 598659714 /nfs/dbraw/zinc/65/97/14/598659714.db2.gz KUUFDDWXRZQBCT-UHFFFAOYSA-N -1 3 368.418 3.075 20 0 FGADHM CC(=O)c1ccc(OC(=O)CSc2ccc(-c3nn[n-]n3)cc2)c(C)c1 ZINC000735495565 598659716 /nfs/dbraw/zinc/65/97/16/598659716.db2.gz KUUFDDWXRZQBCT-UHFFFAOYSA-N -1 3 368.418 3.075 20 0 FGADHM Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)cn2)c1 ZINC000737316485 598661349 /nfs/dbraw/zinc/66/13/49/598661349.db2.gz DCTSUNXDJLIWEW-CYBMUJFWSA-N -1 3 366.425 3.100 20 0 FGADHM Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)cn2)c1 ZINC000737316485 598661351 /nfs/dbraw/zinc/66/13/51/598661351.db2.gz DCTSUNXDJLIWEW-CYBMUJFWSA-N -1 3 366.425 3.100 20 0 FGADHM CC(C)c1ccccc1OCCNc1nc2c(cc1-c1nnn[n-]1)CCC2 ZINC000735932695 598681353 /nfs/dbraw/zinc/68/13/53/598681353.db2.gz PWAMYLNITVUORT-UHFFFAOYSA-N -1 3 364.453 3.365 20 0 FGADHM CC(C)c1ccccc1OCCNc1nc2c(cc1-c1nn[n-]n1)CCC2 ZINC000735932695 598681357 /nfs/dbraw/zinc/68/13/57/598681357.db2.gz PWAMYLNITVUORT-UHFFFAOYSA-N -1 3 364.453 3.365 20 0 FGADHM CC[C@@H]1CCCN1C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000736402874 598686852 /nfs/dbraw/zinc/68/68/52/598686852.db2.gz PGIZPRPXBOOHDV-OAHLLOKOSA-N -1 3 364.409 3.069 20 0 FGADHM CC[C@@H]1CCCN1C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000736402874 598686853 /nfs/dbraw/zinc/68/68/53/598686853.db2.gz PGIZPRPXBOOHDV-OAHLLOKOSA-N -1 3 364.409 3.069 20 0 FGADHM O=C(C=Cc1ccc(Cl)cc1)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737795723 598702959 /nfs/dbraw/zinc/70/29/59/598702959.db2.gz LEWXIFDXPCBRQK-FPYGCLRLSA-N -1 3 358.760 3.416 20 0 FGADHM O=C(C=Cc1ccc(Cl)cc1)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737795723 598702960 /nfs/dbraw/zinc/70/29/60/598702960.db2.gz LEWXIFDXPCBRQK-FPYGCLRLSA-N -1 3 358.760 3.416 20 0 FGADHM O=C(/C=C\Sc1ccccc1)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737794179 598704732 /nfs/dbraw/zinc/70/47/32/598704732.db2.gz BUKFJPVZOWGVEJ-HJWRWDBZSA-N -1 3 356.382 3.355 20 0 FGADHM O=C(/C=C\Sc1ccccc1)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737794179 598704733 /nfs/dbraw/zinc/70/47/33/598704733.db2.gz BUKFJPVZOWGVEJ-HJWRWDBZSA-N -1 3 356.382 3.355 20 0 FGADHM C[C@@H]1CO[C@@H](c2ccccc2)[C@H](C)N1Cc1cc(-c2nn[n-]n2)ccc1F ZINC000736295329 598706082 /nfs/dbraw/zinc/70/60/82/598706082.db2.gz UKKKWJQUWQWBBF-BIENJYKASA-N -1 3 367.428 3.356 20 0 FGADHM C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)N1Cc1cc(-c2nn[n-]n2)ccc1F ZINC000736295334 598706690 /nfs/dbraw/zinc/70/66/90/598706690.db2.gz UKKKWJQUWQWBBF-PJIJBLCYSA-N -1 3 367.428 3.356 20 0 FGADHM Cc1ccc(CCCC(=O)OCc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000737338148 598707964 /nfs/dbraw/zinc/70/79/64/598707964.db2.gz NXTBJVOXOFWAFY-UHFFFAOYSA-N -1 3 354.385 3.380 20 0 FGADHM Cc1ccc(CCCC(=O)OCc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000737338148 598707966 /nfs/dbraw/zinc/70/79/66/598707966.db2.gz NXTBJVOXOFWAFY-UHFFFAOYSA-N -1 3 354.385 3.380 20 0 FGADHM O=C(CCCOc1cccc(F)c1)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737834966 598709608 /nfs/dbraw/zinc/70/96/08/598709608.db2.gz AQTGYDGEGFAHAW-UHFFFAOYSA-N -1 3 374.347 3.047 20 0 FGADHM O=C(CCCOc1cccc(F)c1)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737834966 598709609 /nfs/dbraw/zinc/70/96/09/598709609.db2.gz AQTGYDGEGFAHAW-UHFFFAOYSA-N -1 3 374.347 3.047 20 0 FGADHM C[C@H](OC(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1ccccc1F ZINC000736156053 598713394 /nfs/dbraw/zinc/71/33/94/598713394.db2.gz SOLSLCNZHLTRAL-NSHDSACASA-N -1 3 358.398 3.402 20 0 FGADHM C[C@H](OC(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1ccccc1F ZINC000736156053 598713396 /nfs/dbraw/zinc/71/33/96/598713396.db2.gz SOLSLCNZHLTRAL-NSHDSACASA-N -1 3 358.398 3.402 20 0 FGADHM CC(C)[C@H]1CCCC[C@H]1NC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736113237 598716670 /nfs/dbraw/zinc/71/66/70/598716670.db2.gz LSQSXOPYFRCGKX-IAOVAPTHSA-N -1 3 356.474 3.442 20 0 FGADHM CC(C)[C@H]1CCCC[C@H]1NC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736113237 598716671 /nfs/dbraw/zinc/71/66/71/598716671.db2.gz LSQSXOPYFRCGKX-IAOVAPTHSA-N -1 3 356.474 3.442 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CC[C@H](c2ccco2)C1 ZINC000738151618 598728350 /nfs/dbraw/zinc/72/83/50/598728350.db2.gz JVEOWQBDBUINQF-JTQLQIEISA-N -1 3 358.789 3.135 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CC[C@H](c2ccco2)C1 ZINC000738151618 598728351 /nfs/dbraw/zinc/72/83/51/598728351.db2.gz JVEOWQBDBUINQF-JTQLQIEISA-N -1 3 358.789 3.135 20 0 FGADHM COc1ccc([C@@H](C)OC(=O)c2cccc(-c3nnn[n-]3)c2)cc1Cl ZINC000737075811 598729362 /nfs/dbraw/zinc/72/93/62/598729362.db2.gz OUXGJPBHHQPZLR-SNVBAGLBSA-N -1 3 358.785 3.447 20 0 FGADHM COc1ccc([C@@H](C)OC(=O)c2cccc(-c3nn[n-]n3)c2)cc1Cl ZINC000737075811 598729364 /nfs/dbraw/zinc/72/93/64/598729364.db2.gz OUXGJPBHHQPZLR-SNVBAGLBSA-N -1 3 358.785 3.447 20 0 FGADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)OCCc1cccs1 ZINC000737840679 598735912 /nfs/dbraw/zinc/73/59/12/598735912.db2.gz CWSUZBAPYOYCOB-UHFFFAOYSA-N -1 3 372.450 3.263 20 0 FGADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)OCCc1cccs1 ZINC000737840679 598735913 /nfs/dbraw/zinc/73/59/13/598735913.db2.gz CWSUZBAPYOYCOB-UHFFFAOYSA-N -1 3 372.450 3.263 20 0 FGADHM C[C@@H](CCCOCc1ccccc1)OC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000735986323 598739443 /nfs/dbraw/zinc/73/94/43/598739443.db2.gz RGJHORNAHPOUOP-HNNXBMFYSA-N -1 3 366.421 3.409 20 0 FGADHM C[C@@H](CCCOCc1ccccc1)OC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000735986323 598739444 /nfs/dbraw/zinc/73/94/44/598739444.db2.gz RGJHORNAHPOUOP-HNNXBMFYSA-N -1 3 366.421 3.409 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C[C@H]1CCc2ccccc2C1 ZINC000737056313 598741825 /nfs/dbraw/zinc/74/18/25/598741825.db2.gz CPPNQVNQYRPXCU-ZDUSSCGKSA-N -1 3 363.421 3.009 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C[C@H]1CCc2ccccc2C1 ZINC000737056313 598741826 /nfs/dbraw/zinc/74/18/26/598741826.db2.gz CPPNQVNQYRPXCU-ZDUSSCGKSA-N -1 3 363.421 3.009 20 0 FGADHM C[C@H](SCc1ccco1)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736191311 598748304 /nfs/dbraw/zinc/74/83/04/598748304.db2.gz HYVOCLUCFXEMBN-VIFPVBQESA-N -1 3 363.830 3.374 20 0 FGADHM C[C@H](SCc1ccco1)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736191311 598748306 /nfs/dbraw/zinc/74/83/06/598748306.db2.gz HYVOCLUCFXEMBN-VIFPVBQESA-N -1 3 363.830 3.374 20 0 FGADHM CCS[C@H]1CCCCN(C(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736664999 598750380 /nfs/dbraw/zinc/75/03/80/598750380.db2.gz NJIOJYXFIOIYEZ-BBRMVZONSA-N -1 3 374.514 3.245 20 0 FGADHM CCS[C@H]1CCCCN(C(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736664999 598750381 /nfs/dbraw/zinc/75/03/81/598750381.db2.gz NJIOJYXFIOIYEZ-BBRMVZONSA-N -1 3 374.514 3.245 20 0 FGADHM C[C@@H](Cc1ccccc1)C(=O)OCCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000736059869 598750430 /nfs/dbraw/zinc/75/04/30/598750430.db2.gz XJIIGPZAEBSVMI-HNNXBMFYSA-N -1 3 366.421 3.058 20 0 FGADHM CC(C)Oc1ccc(NC(=S)NC(C2CC2)C2CC2)cc1-c1nnn[n-]1 ZINC000820173393 607366997 /nfs/dbraw/zinc/36/69/97/607366997.db2.gz DDBJGUNZNJFMFE-UHFFFAOYSA-N -1 3 372.498 3.129 20 0 FGADHM CC(C)Oc1ccc(NC(=S)NC(C2CC2)C2CC2)cc1-c1nn[n-]n1 ZINC000820173393 607366999 /nfs/dbraw/zinc/36/69/99/607366999.db2.gz DDBJGUNZNJFMFE-UHFFFAOYSA-N -1 3 372.498 3.129 20 0 FGADHM C[C@@H]1CN(C(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)CCS1 ZINC000736290393 598754638 /nfs/dbraw/zinc/75/46/38/598754638.db2.gz ITVFDFRFHFHKBG-CYBMUJFWSA-N -1 3 365.462 3.111 20 0 FGADHM C[C@@H]1CN(C(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)CCS1 ZINC000736290393 598754639 /nfs/dbraw/zinc/75/46/39/598754639.db2.gz ITVFDFRFHFHKBG-CYBMUJFWSA-N -1 3 365.462 3.111 20 0 FGADHM C[C@@H](Oc1ccc(F)cc1Cl)C(=O)Nc1sccc1-c1nnn[n-]1 ZINC000736174240 598760232 /nfs/dbraw/zinc/76/02/32/598760232.db2.gz MCJSZNQWPFWQNK-SSDOTTSWSA-N -1 3 367.793 3.127 20 0 FGADHM C[C@@H](Oc1ccc(F)cc1Cl)C(=O)Nc1sccc1-c1nn[n-]n1 ZINC000736174240 598760233 /nfs/dbraw/zinc/76/02/33/598760233.db2.gz MCJSZNQWPFWQNK-SSDOTTSWSA-N -1 3 367.793 3.127 20 0 FGADHM Cc1ccccc1[C@@H](C(C)C)N(C)C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000737415713 598764808 /nfs/dbraw/zinc/76/48/08/598764808.db2.gz SNDQKUVAKGZKBC-QGZVFWFLSA-N -1 3 350.426 3.039 20 0 FGADHM Cc1ccccc1[C@@H](C(C)C)N(C)C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000737415713 598764810 /nfs/dbraw/zinc/76/48/10/598764810.db2.gz SNDQKUVAKGZKBC-QGZVFWFLSA-N -1 3 350.426 3.039 20 0 FGADHM Cc1ccc2oc(C(=O)Nc3ccc(Cl)c(-c4nnn[n-]4)c3)cc2n1 ZINC000737373369 598790535 /nfs/dbraw/zinc/79/05/35/598790535.db2.gz GUABICPYIPAWFK-UHFFFAOYSA-N -1 3 354.757 3.222 20 0 FGADHM Cc1ccc2oc(C(=O)Nc3ccc(Cl)c(-c4nn[n-]n4)c3)cc2n1 ZINC000737373369 598790536 /nfs/dbraw/zinc/79/05/36/598790536.db2.gz GUABICPYIPAWFK-UHFFFAOYSA-N -1 3 354.757 3.222 20 0 FGADHM Clc1ccc(NCc2ccnc(N3CCCC3)c2)c(-c2nnn[n-]2)c1 ZINC000737574725 598791673 /nfs/dbraw/zinc/79/16/73/598791673.db2.gz OQJMDXCIOONCSZ-UHFFFAOYSA-N -1 3 355.833 3.127 20 0 FGADHM Clc1ccc(NCc2ccnc(N3CCCC3)c2)c(-c2nn[n-]n2)c1 ZINC000737574725 598791674 /nfs/dbraw/zinc/79/16/74/598791674.db2.gz OQJMDXCIOONCSZ-UHFFFAOYSA-N -1 3 355.833 3.127 20 0 FGADHM COc1ccccc1CC(C)(C)C(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000737152956 598791651 /nfs/dbraw/zinc/79/16/51/598791651.db2.gz NHVIEJUGODCMOP-UHFFFAOYSA-N -1 3 365.437 3.391 20 0 FGADHM COc1ccccc1CC(C)(C)C(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000737152956 598791652 /nfs/dbraw/zinc/79/16/52/598791652.db2.gz NHVIEJUGODCMOP-UHFFFAOYSA-N -1 3 365.437 3.391 20 0 FGADHM CCN(C(=O)CO[C@@H]1CCCC[C@H]1C)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736505384 598802468 /nfs/dbraw/zinc/80/24/68/598802468.db2.gz MOTQZDFBGJVNNB-IIDMSEBBSA-N -1 3 371.485 3.372 20 0 FGADHM CCN(C(=O)CO[C@@H]1CCCC[C@H]1C)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736505384 598802469 /nfs/dbraw/zinc/80/24/69/598802469.db2.gz MOTQZDFBGJVNNB-IIDMSEBBSA-N -1 3 371.485 3.372 20 0 FGADHM O=C(CSc1ccc2ccccc2c1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000737946292 598804928 /nfs/dbraw/zinc/80/49/28/598804928.db2.gz DWVLFHWOJOPPBA-UHFFFAOYSA-N -1 3 362.418 3.146 20 0 FGADHM O=C(CSc1ccc2ccccc2c1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000737946292 598804929 /nfs/dbraw/zinc/80/49/29/598804929.db2.gz DWVLFHWOJOPPBA-UHFFFAOYSA-N -1 3 362.418 3.146 20 0 FGADHM CC(C)Oc1ccc(NC(=S)Nc2ccccc2)cc1-c1nnn[n-]1 ZINC000820174285 607367184 /nfs/dbraw/zinc/36/71/84/607367184.db2.gz QOKUHWDCQRMSLA-UHFFFAOYSA-N -1 3 354.439 3.463 20 0 FGADHM CC(C)Oc1ccc(NC(=S)Nc2ccccc2)cc1-c1nn[n-]n1 ZINC000820174285 607367186 /nfs/dbraw/zinc/36/71/86/607367186.db2.gz QOKUHWDCQRMSLA-UHFFFAOYSA-N -1 3 354.439 3.463 20 0 FGADHM C[C@H]1CCC[C@H](CC(=O)Nc2ccnn2-c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736247462 598807413 /nfs/dbraw/zinc/80/74/13/598807413.db2.gz DNWHDXPPFJLMSO-KBPBESRZSA-N -1 3 365.441 3.207 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1sccc1OC(F)F ZINC000737295769 598820842 /nfs/dbraw/zinc/82/08/42/598820842.db2.gz ZPLUKHAHCINBQN-UHFFFAOYSA-N -1 3 351.338 3.090 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1sccc1OC(F)F ZINC000737295769 598820844 /nfs/dbraw/zinc/82/08/44/598820844.db2.gz ZPLUKHAHCINBQN-UHFFFAOYSA-N -1 3 351.338 3.090 20 0 FGADHM CCCCc1noc(CSCc2cc(-c3nnn[n-]3)ccc2OC)n1 ZINC000821082029 607367566 /nfs/dbraw/zinc/36/75/66/607367566.db2.gz FJSZWXWWLHPUBK-UHFFFAOYSA-N -1 3 360.443 3.034 20 0 FGADHM CCCCc1noc(CSCc2cc(-c3nn[n-]n3)ccc2OC)n1 ZINC000821082029 607367568 /nfs/dbraw/zinc/36/75/68/607367568.db2.gz FJSZWXWWLHPUBK-UHFFFAOYSA-N -1 3 360.443 3.034 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[C@H]1CSc2ccccc21 ZINC000738146736 599293163 /nfs/dbraw/zinc/29/31/63/599293163.db2.gz ZRQYPJFOVXOENH-LBPRGKRZSA-N -1 3 357.826 3.348 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)[C@H]1CSc2ccccc21 ZINC000738146736 599293165 /nfs/dbraw/zinc/29/31/65/599293165.db2.gz ZRQYPJFOVXOENH-LBPRGKRZSA-N -1 3 357.826 3.348 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1CSC[C@@H]1OCCc2ccccc21 ZINC000821749782 607367640 /nfs/dbraw/zinc/36/76/40/607367640.db2.gz XUIAYRZOLFMEMJ-SFHVURJKSA-N -1 3 368.462 3.423 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1CSC[C@@H]1OCCc2ccccc21 ZINC000821749782 607367641 /nfs/dbraw/zinc/36/76/41/607367641.db2.gz XUIAYRZOLFMEMJ-SFHVURJKSA-N -1 3 368.462 3.423 20 0 FGADHM C[C@H](NC(=O)Nc1c(F)cc(F)cc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000820374801 599296582 /nfs/dbraw/zinc/29/65/82/599296582.db2.gz QBFVLOWRLLHWCH-QMMMGPOBSA-N -1 3 362.315 3.167 20 0 FGADHM C[C@H](NC(=O)Nc1c(F)cc(F)cc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000820374801 599296584 /nfs/dbraw/zinc/29/65/84/599296584.db2.gz QBFVLOWRLLHWCH-QMMMGPOBSA-N -1 3 362.315 3.167 20 0 FGADHM CCN(C(=O)c1ccc(Br)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736505504 599311504 /nfs/dbraw/zinc/31/15/04/599311504.db2.gz KMURIAPXALTRQH-UHFFFAOYSA-N -1 3 372.226 3.296 20 0 FGADHM CCN(C(=O)c1ccc(Br)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736505504 599311506 /nfs/dbraw/zinc/31/15/06/599311506.db2.gz KMURIAPXALTRQH-UHFFFAOYSA-N -1 3 372.226 3.296 20 0 FGADHM C[C@@H]1C[C@@H]2CCCC[C@H]2N1c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000736239635 599321981 /nfs/dbraw/zinc/32/19/81/599321981.db2.gz SVIZLGZTQMZUOC-JFGNBEQYSA-N -1 3 352.364 3.438 20 0 FGADHM C[C@@H]1C[C@@H]2CCCC[C@H]2N1c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000736239635 599321984 /nfs/dbraw/zinc/32/19/84/599321984.db2.gz SVIZLGZTQMZUOC-JFGNBEQYSA-N -1 3 352.364 3.438 20 0 FGADHM COc1ccc(NC(C)=O)cc1N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737106388 599323777 /nfs/dbraw/zinc/32/37/77/599323777.db2.gz RXPACIFLNCUUDZ-LLVKDONJSA-N -1 3 352.398 3.007 20 0 FGADHM COc1ccc(NC(C)=O)cc1N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737106388 599323779 /nfs/dbraw/zinc/32/37/79/599323779.db2.gz RXPACIFLNCUUDZ-LLVKDONJSA-N -1 3 352.398 3.007 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NCCCOc1ccc(F)cc1 ZINC000736635490 599327638 /nfs/dbraw/zinc/32/76/38/599327638.db2.gz VBTZBEVUQSKXCH-UHFFFAOYSA-N -1 3 357.389 3.286 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NCCCOc1ccc(F)cc1 ZINC000736635490 599327641 /nfs/dbraw/zinc/32/76/41/599327641.db2.gz VBTZBEVUQSKXCH-UHFFFAOYSA-N -1 3 357.389 3.286 20 0 FGADHM C[C@@H](S[C@H](C)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCC(C)CC1 ZINC000736278256 599331014 /nfs/dbraw/zinc/33/10/14/599331014.db2.gz QMQCWIDWDRVHBG-ZIAGYGMSSA-N -1 3 359.499 3.308 20 0 FGADHM C[C@@H](S[C@H](C)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCC(C)CC1 ZINC000736278256 599331017 /nfs/dbraw/zinc/33/10/17/599331017.db2.gz QMQCWIDWDRVHBG-ZIAGYGMSSA-N -1 3 359.499 3.308 20 0 FGADHM CC(C)(C)OC(=O)N1CC[C@@H](CSc2ccccc2-c2nnn[n-]2)C1 ZINC000819933147 599341817 /nfs/dbraw/zinc/34/18/17/599341817.db2.gz HUJJYURNZNCKIS-GFCCVEGCSA-N -1 3 361.471 3.216 20 0 FGADHM CC(C)(C)OC(=O)N1CC[C@@H](CSc2ccccc2-c2nn[n-]n2)C1 ZINC000819933147 599341820 /nfs/dbraw/zinc/34/18/20/599341820.db2.gz HUJJYURNZNCKIS-GFCCVEGCSA-N -1 3 361.471 3.216 20 0 FGADHM Cc1ccc(Cl)cc1OCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000822239928 599389384 /nfs/dbraw/zinc/38/93/84/599389384.db2.gz LAMGSMNGTGBNFW-UHFFFAOYSA-N -1 3 368.784 3.458 20 0 FGADHM Cc1ccc(Cl)cc1OCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822239928 599389388 /nfs/dbraw/zinc/38/93/88/599389388.db2.gz LAMGSMNGTGBNFW-UHFFFAOYSA-N -1 3 368.784 3.458 20 0 FGADHM Cc1ccccc1N1CCN(c2cc(-c3nnn[n-]3)c3ccccc3n2)CC1 ZINC000737435221 599395823 /nfs/dbraw/zinc/39/58/23/599395823.db2.gz JHJRFDPWEPWCAV-UHFFFAOYSA-N -1 3 371.448 3.050 20 0 FGADHM Cc1ccccc1N1CCN(c2cc(-c3nn[n-]n3)c3ccccc3n2)CC1 ZINC000737435221 599395827 /nfs/dbraw/zinc/39/58/27/599395827.db2.gz JHJRFDPWEPWCAV-UHFFFAOYSA-N -1 3 371.448 3.050 20 0 FGADHM Cc1ccccc1OCCN(C)c1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000737432466 599399905 /nfs/dbraw/zinc/39/99/05/599399905.db2.gz ZFMLKTIZCGOJLX-UHFFFAOYSA-N -1 3 360.421 3.239 20 0 FGADHM Cc1ccccc1OCCN(C)c1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000737432466 599399907 /nfs/dbraw/zinc/39/99/07/599399907.db2.gz ZFMLKTIZCGOJLX-UHFFFAOYSA-N -1 3 360.421 3.239 20 0 FGADHM CCC(=O)Nc1cccc(CNc2cc(-c3nnn[n-]3)c3ccccc3n2)c1 ZINC000736309800 599411345 /nfs/dbraw/zinc/41/13/45/599411345.db2.gz RJDQRGILRVRSQK-UHFFFAOYSA-N -1 3 373.420 3.376 20 0 FGADHM CCC(=O)Nc1cccc(CNc2cc(-c3nn[n-]n3)c3ccccc3n2)c1 ZINC000736309800 599411348 /nfs/dbraw/zinc/41/13/48/599411348.db2.gz RJDQRGILRVRSQK-UHFFFAOYSA-N -1 3 373.420 3.376 20 0 FGADHM C[C@@H](NC(=O)N[C@H](C)c1cc(F)ccc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000820351447 599416873 /nfs/dbraw/zinc/41/68/73/599416873.db2.gz PEPNRRVWYWANQI-GHMZBOCLSA-N -1 3 372.379 3.266 20 0 FGADHM C[C@@H](NC(=O)N[C@H](C)c1cc(F)ccc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000820351447 599416876 /nfs/dbraw/zinc/41/68/76/599416876.db2.gz PEPNRRVWYWANQI-GHMZBOCLSA-N -1 3 372.379 3.266 20 0 FGADHM C[C@H](CCNC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000820240496 599427493 /nfs/dbraw/zinc/42/74/93/599427493.db2.gz BZCGKTYCMMGBNF-HUUCEWRRSA-N -1 3 364.453 3.421 20 0 FGADHM C[C@H](CCNC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000820240496 599427494 /nfs/dbraw/zinc/42/74/94/599427494.db2.gz BZCGKTYCMMGBNF-HUUCEWRRSA-N -1 3 364.453 3.421 20 0 FGADHM COc1ccc2oc([C@@H](C)NCc3ccc(-c4nnn[n-]4)o3)c(C)c2c1 ZINC000821854749 599431658 /nfs/dbraw/zinc/43/16/58/599431658.db2.gz UGPGAFGGGUBPAV-LLVKDONJSA-N -1 3 353.382 3.374 20 0 FGADHM COc1ccc2oc([C@@H](C)NCc3ccc(-c4nn[n-]n4)o3)c(C)c2c1 ZINC000821854749 599431660 /nfs/dbraw/zinc/43/16/60/599431660.db2.gz UGPGAFGGGUBPAV-LLVKDONJSA-N -1 3 353.382 3.374 20 0 FGADHM C[C@@H]1CCC[C@H](CCNC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC000820697568 599442126 /nfs/dbraw/zinc/44/21/26/599442126.db2.gz JBBVYSYQTZJZSR-CHWSQXEVSA-N -1 3 360.437 3.021 20 0 FGADHM C[C@@H]1CCC[C@H](CCNC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC000820697568 599442129 /nfs/dbraw/zinc/44/21/29/599442129.db2.gz JBBVYSYQTZJZSR-CHWSQXEVSA-N -1 3 360.437 3.021 20 0 FGADHM CSCCCCNc1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21 ZINC000737180754 599443341 /nfs/dbraw/zinc/44/33/41/599443341.db2.gz CWSSSYSNWTWQAB-UHFFFAOYSA-N -1 3 350.398 3.248 20 0 FGADHM CSCCCCNc1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21 ZINC000737180754 599443345 /nfs/dbraw/zinc/44/33/45/599443345.db2.gz CWSSSYSNWTWQAB-UHFFFAOYSA-N -1 3 350.398 3.248 20 0 FGADHM C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736055563 599467707 /nfs/dbraw/zinc/46/77/07/599467707.db2.gz HBZXFXDXUIGLNH-ZDUSSCGKSA-N -1 3 369.856 3.152 20 0 FGADHM C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736055563 599467708 /nfs/dbraw/zinc/46/77/08/599467708.db2.gz HBZXFXDXUIGLNH-ZDUSSCGKSA-N -1 3 369.856 3.152 20 0 FGADHM C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1sccc1-c1nnn[n-]1 ZINC000736238269 599470671 /nfs/dbraw/zinc/47/06/71/599470671.db2.gz YLHNZGOALMCGCC-JQWIXIFHSA-N -1 3 357.414 3.086 20 0 FGADHM C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1sccc1-c1nn[n-]n1 ZINC000736238269 599470674 /nfs/dbraw/zinc/47/06/74/599470674.db2.gz YLHNZGOALMCGCC-JQWIXIFHSA-N -1 3 357.414 3.086 20 0 FGADHM C[C@@H](NC(=O)N(C)CCCc1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820343098 599473219 /nfs/dbraw/zinc/47/32/19/599473219.db2.gz ZZOMJEPRSDAVJE-OAHLLOKOSA-N -1 3 364.453 3.202 20 0 FGADHM C[C@@H](NC(=O)N(C)CCCc1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820343098 599473222 /nfs/dbraw/zinc/47/32/22/599473222.db2.gz ZZOMJEPRSDAVJE-OAHLLOKOSA-N -1 3 364.453 3.202 20 0 FGADHM CCO[C@@H](C)c1nc(COc2ccc(-c3nnn[n-]3)cc2OC)cs1 ZINC000736618526 599475043 /nfs/dbraw/zinc/47/50/43/599475043.db2.gz UQOFAXHRGOKYCA-JTQLQIEISA-N -1 3 361.427 3.008 20 0 FGADHM CCO[C@@H](C)c1nc(COc2ccc(-c3nn[n-]n3)cc2OC)cs1 ZINC000736618526 599475046 /nfs/dbraw/zinc/47/50/46/599475046.db2.gz UQOFAXHRGOKYCA-JTQLQIEISA-N -1 3 361.427 3.008 20 0 FGADHM O=C(CN1CCCCC[C@H]1c1ccco1)Nc1sccc1-c1nnn[n-]1 ZINC000737871913 599478332 /nfs/dbraw/zinc/47/83/32/599478332.db2.gz DJLKYRMVZJHCQF-ZDUSSCGKSA-N -1 3 372.454 3.077 20 0 FGADHM O=C(CN1CCCCC[C@H]1c1ccco1)Nc1sccc1-c1nn[n-]n1 ZINC000737871913 599478333 /nfs/dbraw/zinc/47/83/33/599478333.db2.gz DJLKYRMVZJHCQF-ZDUSSCGKSA-N -1 3 372.454 3.077 20 0 FGADHM C[C@H](NC(=O)N1CCC[C@H]1c1ccco1)c1cccc(-c2nnn[n-]2)c1 ZINC000820353035 599479015 /nfs/dbraw/zinc/47/90/15/599479015.db2.gz XHKNDUIKYFKDPK-WFASDCNBSA-N -1 3 352.398 3.067 20 0 FGADHM C[C@H](NC(=O)N1CCC[C@H]1c1ccco1)c1cccc(-c2nn[n-]n2)c1 ZINC000820353035 599479017 /nfs/dbraw/zinc/47/90/17/599479017.db2.gz XHKNDUIKYFKDPK-WFASDCNBSA-N -1 3 352.398 3.067 20 0 FGADHM c1ccc2nc(CCNc3c(-c4nnn[n-]4)cnc4ccccc43)ccc2c1 ZINC000823802637 599502988 /nfs/dbraw/zinc/50/29/88/599502988.db2.gz VTNJGXAGNDRILN-UHFFFAOYSA-N -1 3 367.416 3.040 20 0 FGADHM c1ccc2nc(CCNc3c(-c4nn[n-]n4)cnc4ccccc43)ccc2c1 ZINC000823802637 599502991 /nfs/dbraw/zinc/50/29/91/599502991.db2.gz VTNJGXAGNDRILN-UHFFFAOYSA-N -1 3 367.416 3.040 20 0 FGADHM C[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820321420 599503249 /nfs/dbraw/zinc/50/32/49/599503249.db2.gz FZPCQKHQEYWTGQ-COLVAYQJSA-N -1 3 369.375 3.126 20 0 FGADHM C[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820321420 599503251 /nfs/dbraw/zinc/50/32/51/599503251.db2.gz FZPCQKHQEYWTGQ-COLVAYQJSA-N -1 3 369.375 3.126 20 0 FGADHM Cc1ccc(SCC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c(C)c1 ZINC000822267447 599504981 /nfs/dbraw/zinc/50/49/81/599504981.db2.gz UCTZYJRTCLHVFA-CQSZACIVSA-N -1 3 367.478 3.453 20 0 FGADHM Cc1ccc(SCC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c(C)c1 ZINC000822267447 599504982 /nfs/dbraw/zinc/50/49/82/599504982.db2.gz UCTZYJRTCLHVFA-CQSZACIVSA-N -1 3 367.478 3.453 20 0 FGADHM Cc1cccc(OCCC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1C ZINC000822327730 599508121 /nfs/dbraw/zinc/50/81/21/599508121.db2.gz JNVOALUFMATWNF-HNNXBMFYSA-N -1 3 365.437 3.130 20 0 FGADHM Cc1cccc(OCCC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1C ZINC000822327730 599508123 /nfs/dbraw/zinc/50/81/23/599508123.db2.gz JNVOALUFMATWNF-HNNXBMFYSA-N -1 3 365.437 3.130 20 0 FGADHM C[C@H](NC(=O)/C=C/Sc1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820323280 599508692 /nfs/dbraw/zinc/50/86/92/599508692.db2.gz WYMOYGZXUCLQLP-NHAQELONSA-N -1 3 351.435 3.350 20 0 FGADHM C[C@H](NC(=O)/C=C/Sc1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820323280 599508693 /nfs/dbraw/zinc/50/86/93/599508693.db2.gz WYMOYGZXUCLQLP-NHAQELONSA-N -1 3 351.435 3.350 20 0 FGADHM CC(C)Cc1ccc(CC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000820108976 599513522 /nfs/dbraw/zinc/51/35/22/599513522.db2.gz XLTZPIILEWJIPG-HNNXBMFYSA-N -1 3 363.465 3.485 20 0 FGADHM CC(C)Cc1ccc(CC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000820108976 599513523 /nfs/dbraw/zinc/51/35/23/599513523.db2.gz XLTZPIILEWJIPG-HNNXBMFYSA-N -1 3 363.465 3.485 20 0 FGADHM C[C@@H](NC(=O)CCc1cccc(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820329317 599516584 /nfs/dbraw/zinc/51/65/84/599516584.db2.gz VHRYHSBMKBZFHI-GFCCVEGCSA-N -1 3 355.829 3.330 20 0 FGADHM C[C@@H](NC(=O)CCc1cccc(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820329317 599516587 /nfs/dbraw/zinc/51/65/87/599516587.db2.gz VHRYHSBMKBZFHI-GFCCVEGCSA-N -1 3 355.829 3.330 20 0 FGADHM C[C@H](NC(=O)c1cccn1Cc1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820396903 599516921 /nfs/dbraw/zinc/51/69/21/599516921.db2.gz JJNSTSGLKXJJHP-HNNXBMFYSA-N -1 3 372.432 3.208 20 0 FGADHM C[C@H](NC(=O)c1cccn1Cc1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820396903 599516923 /nfs/dbraw/zinc/51/69/23/599516923.db2.gz JJNSTSGLKXJJHP-HNNXBMFYSA-N -1 3 372.432 3.208 20 0 FGADHM COc1cc(Cl)ccc1C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821716915 599517480 /nfs/dbraw/zinc/51/74/80/599517480.db2.gz HAAVMVZSMZHSAX-SNVBAGLBSA-N -1 3 357.801 3.020 20 0 FGADHM COc1cc(Cl)ccc1C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821716915 599517483 /nfs/dbraw/zinc/51/74/83/599517483.db2.gz HAAVMVZSMZHSAX-SNVBAGLBSA-N -1 3 357.801 3.020 20 0 FGADHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1NC[C@@H]1CC1(Cl)Cl ZINC000737625508 599519524 /nfs/dbraw/zinc/51/95/24/599519524.db2.gz AZUBWVQRBCVNST-ZETCQYMHSA-N -1 3 352.147 3.491 20 0 FGADHM C[C@H](CCc1ccccc1F)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820254198 599525270 /nfs/dbraw/zinc/52/52/70/599525270.db2.gz NPYPBZWBLUEMHT-KGLIPLIRSA-N -1 3 367.428 3.452 20 0 FGADHM C[C@H](CCc1ccccc1F)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820254198 599525273 /nfs/dbraw/zinc/52/52/73/599525273.db2.gz NPYPBZWBLUEMHT-KGLIPLIRSA-N -1 3 367.428 3.452 20 0 FGADHM C[C@](O)(CNc1ccc(-c2nn[n-]n2)cc1C(F)(F)F)c1ccccc1 ZINC000736142894 599525864 /nfs/dbraw/zinc/52/58/64/599525864.db2.gz PVLHKLFMZIALAB-INIZCTEOSA-N -1 3 363.343 3.205 20 0 FGADHM COC(=O)Nc1ccc(CCNc2ccc(Cl)cc2-c2nnn[n-]2)cc1 ZINC000736939772 599526654 /nfs/dbraw/zinc/52/66/54/599526654.db2.gz MZYHAMOVDQRNCM-UHFFFAOYSA-N -1 3 372.816 3.353 20 0 FGADHM COC(=O)Nc1ccc(CCNc2ccc(Cl)cc2-c2nn[n-]n2)cc1 ZINC000736939772 599526656 /nfs/dbraw/zinc/52/66/56/599526656.db2.gz MZYHAMOVDQRNCM-UHFFFAOYSA-N -1 3 372.816 3.353 20 0 FGADHM C[C@@H](NC(=O)C=Cc1ccnc2ccccc12)c1cccc(-c2nnn[n-]2)c1 ZINC000820321202 599527996 /nfs/dbraw/zinc/52/79/96/599527996.db2.gz COCDMMUCNZSSCX-CFYYFVFUSA-N -1 3 370.416 3.306 20 0 FGADHM C[C@@H](NC(=O)C=Cc1ccnc2ccccc12)c1cccc(-c2nn[n-]n2)c1 ZINC000820321202 599527999 /nfs/dbraw/zinc/52/79/99/599527999.db2.gz COCDMMUCNZSSCX-CFYYFVFUSA-N -1 3 370.416 3.306 20 0 FGADHM O=C(c1ccc(F)cc1)[C@H]1CCCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000738266738 599532756 /nfs/dbraw/zinc/53/27/56/599532756.db2.gz KCZBYJZMZPOCCD-ZDUSSCGKSA-N -1 3 369.375 3.244 20 0 FGADHM O=C(c1ccc(F)cc1)[C@H]1CCCN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000738266738 599532759 /nfs/dbraw/zinc/53/27/59/599532759.db2.gz KCZBYJZMZPOCCD-ZDUSSCGKSA-N -1 3 369.375 3.244 20 0 FGADHM C[C@H](NC(=O)Cc1cccc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820333864 599532973 /nfs/dbraw/zinc/53/29/73/599532973.db2.gz HSAAOGYBGMICRQ-AWEZNQCLSA-N -1 3 357.417 3.440 20 0 FGADHM C[C@H](NC(=O)Cc1cccc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820333864 599532974 /nfs/dbraw/zinc/53/29/74/599532974.db2.gz HSAAOGYBGMICRQ-AWEZNQCLSA-N -1 3 357.417 3.440 20 0 FGADHM Cc1cc(C)n([C@@H]2CCCN(c3ccc(Cl)cc3-c3nnn[n-]3)C2)n1 ZINC000822197449 599539148 /nfs/dbraw/zinc/53/91/48/599539148.db2.gz BLWGHJCFGPBWPZ-CQSZACIVSA-N -1 3 357.849 3.175 20 0 FGADHM Cc1cc(C)n([C@@H]2CCCN(c3ccc(Cl)cc3-c3nn[n-]n3)C2)n1 ZINC000822197449 599539151 /nfs/dbraw/zinc/53/91/51/599539151.db2.gz BLWGHJCFGPBWPZ-CQSZACIVSA-N -1 3 357.849 3.175 20 0 FGADHM COc1ccc(C[C@@H](C)Nc2ccc(F)cc2-c2nnn[n-]2)cc1OC ZINC000821787672 599541984 /nfs/dbraw/zinc/54/19/84/599541984.db2.gz XNRFRMFXLJBNFH-LLVKDONJSA-N -1 3 357.389 3.066 20 0 FGADHM COc1ccc(C[C@@H](C)Nc2ccc(F)cc2-c2nn[n-]n2)cc1OC ZINC000821787672 599541987 /nfs/dbraw/zinc/54/19/87/599541987.db2.gz XNRFRMFXLJBNFH-LLVKDONJSA-N -1 3 357.389 3.066 20 0 FGADHM Cc1ccc(C)c(OCCC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000822232022 599543799 /nfs/dbraw/zinc/54/37/99/599543799.db2.gz QWCVNONPOSYARI-OAHLLOKOSA-N -1 3 365.437 3.130 20 0 FGADHM Cc1ccc(C)c(OCCC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000822232022 599543801 /nfs/dbraw/zinc/54/38/01/599543801.db2.gz QWCVNONPOSYARI-OAHLLOKOSA-N -1 3 365.437 3.130 20 0 FGADHM Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)c2sccc2-c2nnn[n-]2)C1 ZINC000737420027 599548732 /nfs/dbraw/zinc/54/87/32/599548732.db2.gz GSWCRPAOEYJGIF-OLZOCXBDSA-N -1 3 353.451 3.255 20 0 FGADHM Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)c2sccc2-c2nn[n-]n2)C1 ZINC000737420027 599548734 /nfs/dbraw/zinc/54/87/34/599548734.db2.gz GSWCRPAOEYJGIF-OLZOCXBDSA-N -1 3 353.451 3.255 20 0 FGADHM Cc1cccc(F)c1CNC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000822308216 599555907 /nfs/dbraw/zinc/55/59/07/599555907.db2.gz AHOMUFFFRAMSGX-UHFFFAOYSA-N -1 3 371.420 3.192 20 0 FGADHM Cc1cccc(F)c1CNC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000822308216 599555910 /nfs/dbraw/zinc/55/59/10/599555910.db2.gz AHOMUFFFRAMSGX-UHFFFAOYSA-N -1 3 371.420 3.192 20 0 FGADHM CCCCN(C)C(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736452168 599562057 /nfs/dbraw/zinc/56/20/57/599562057.db2.gz ATWYPYGAKBYKPO-UHFFFAOYSA-N -1 3 350.426 3.482 20 0 FGADHM CS[C@@H]1CCC[C@@H](Nc2c(-c3nnn[n-]3)cnc3c(C)cccc32)C1 ZINC000821949141 599562070 /nfs/dbraw/zinc/56/20/70/599562070.db2.gz FNOBTGDHFYYPTM-CHWSQXEVSA-N -1 3 354.483 3.231 20 0 FGADHM CS[C@@H]1CCC[C@@H](Nc2c(-c3nn[n-]n3)cnc3c(C)cccc32)C1 ZINC000821949141 599562071 /nfs/dbraw/zinc/56/20/71/599562071.db2.gz FNOBTGDHFYYPTM-CHWSQXEVSA-N -1 3 354.483 3.231 20 0 FGADHM CCN(Cc1csc(COC)n1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821230527 599567708 /nfs/dbraw/zinc/56/77/08/599567708.db2.gz MNNGCPPXFAHCMT-LBPRGKRZSA-N -1 3 358.471 3.053 20 0 FGADHM CCN(Cc1csc(COC)n1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821230527 599567710 /nfs/dbraw/zinc/56/77/10/599567710.db2.gz MNNGCPPXFAHCMT-LBPRGKRZSA-N -1 3 358.471 3.053 20 0 FGADHM CC1(C)C[C@@H]1CNC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736211967 599569195 /nfs/dbraw/zinc/56/91/95/599569195.db2.gz SVXWZRMUNLCDOK-OAHLLOKOSA-N -1 3 362.437 3.386 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCc1ncc(-c2cccs2)o1 ZINC000826252568 607385333 /nfs/dbraw/zinc/38/53/33/607385333.db2.gz IIKIAIKXJIOUQE-UHFFFAOYSA-N -1 3 367.390 3.249 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCc1ncc(-c2cccs2)o1 ZINC000826252568 607385334 /nfs/dbraw/zinc/38/53/34/607385334.db2.gz IIKIAIKXJIOUQE-UHFFFAOYSA-N -1 3 367.390 3.249 20 0 FGADHM COc1ccc([C@@H](C)CCNc2nc(C)cc(C)c2-c2nnn[n-]2)cc1 ZINC000821777912 599588797 /nfs/dbraw/zinc/58/87/97/599588797.db2.gz OOGBXFUAFWBUSR-LBPRGKRZSA-N -1 3 352.442 3.493 20 0 FGADHM COc1ccc([C@@H](C)CCNc2nc(C)cc(C)c2-c2nn[n-]n2)cc1 ZINC000821777912 599588799 /nfs/dbraw/zinc/58/87/99/599588799.db2.gz OOGBXFUAFWBUSR-LBPRGKRZSA-N -1 3 352.442 3.493 20 0 FGADHM COc1ccc(C[C@H]2CCCN(c3ccc(F)cc3-c3nnn[n-]3)C2)cc1 ZINC000821790042 599591344 /nfs/dbraw/zinc/59/13/44/599591344.db2.gz FRXCLDWDGZKCEH-OAHLLOKOSA-N -1 3 367.428 3.474 20 0 FGADHM COc1ccc(C[C@H]2CCCN(c3ccc(F)cc3-c3nn[n-]n3)C2)cc1 ZINC000821790042 599591346 /nfs/dbraw/zinc/59/13/46/599591346.db2.gz FRXCLDWDGZKCEH-OAHLLOKOSA-N -1 3 367.428 3.474 20 0 FGADHM CC(C)CO[C@H]1C[C@H](OC(=O)CCc2ccc(-c3nnn[n-]3)cc2)C1(C)C ZINC000735839578 599619049 /nfs/dbraw/zinc/61/90/49/599619049.db2.gz YZJVGGBCZKLHSW-IRXDYDNUSA-N -1 3 372.469 3.182 20 0 FGADHM CC(C)CO[C@H]1C[C@H](OC(=O)CCc2ccc(-c3nn[n-]n3)cc2)C1(C)C ZINC000735839578 599619051 /nfs/dbraw/zinc/61/90/51/599619051.db2.gz YZJVGGBCZKLHSW-IRXDYDNUSA-N -1 3 372.469 3.182 20 0 FGADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000823417907 599623425 /nfs/dbraw/zinc/62/34/25/599623425.db2.gz LNQMLFADVGOQGV-GHTZIAJQSA-N -1 3 360.417 3.204 20 0 FGADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000823417907 599623426 /nfs/dbraw/zinc/62/34/26/599623426.db2.gz LNQMLFADVGOQGV-GHTZIAJQSA-N -1 3 360.417 3.204 20 0 FGADHM O=C(OCC1CCC1)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000823395997 599625989 /nfs/dbraw/zinc/62/59/89/599625989.db2.gz BTIPVQKBQVRJET-UHFFFAOYSA-N -1 3 351.366 3.011 20 0 FGADHM O=C(OCC1CCC1)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000823395997 599625990 /nfs/dbraw/zinc/62/59/90/599625990.db2.gz BTIPVQKBQVRJET-UHFFFAOYSA-N -1 3 351.366 3.011 20 0 FGADHM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)N(C)c1cccc(-c2nnn[n-]2)c1 ZINC000820939118 599628017 /nfs/dbraw/zinc/62/80/17/599628017.db2.gz QTJSEVNJXCTTOJ-XKQJLSEDSA-N -1 3 357.458 3.203 20 0 FGADHM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)N(C)c1cccc(-c2nn[n-]n2)c1 ZINC000820939118 599628018 /nfs/dbraw/zinc/62/80/18/599628018.db2.gz QTJSEVNJXCTTOJ-XKQJLSEDSA-N -1 3 357.458 3.203 20 0 FGADHM Cc1c(Br)cccc1C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000822015655 599628800 /nfs/dbraw/zinc/62/88/00/599628800.db2.gz MTBGUYJKELAHBQ-UHFFFAOYSA-N -1 3 358.199 3.190 20 0 FGADHM Cc1c(Br)cccc1C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000822015655 599628801 /nfs/dbraw/zinc/62/88/01/599628801.db2.gz MTBGUYJKELAHBQ-UHFFFAOYSA-N -1 3 358.199 3.190 20 0 FGADHM Cc1cncc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CC[C@H](C)C3)c1 ZINC000822399215 599628803 /nfs/dbraw/zinc/62/88/03/599628803.db2.gz CKBHEKMWHCCUEN-VIFPVBQESA-N -1 3 354.439 3.009 20 0 FGADHM Cc1cncc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CC[C@H](C)C3)c1 ZINC000822399215 599628804 /nfs/dbraw/zinc/62/88/04/599628804.db2.gz CKBHEKMWHCCUEN-VIFPVBQESA-N -1 3 354.439 3.009 20 0 FGADHM CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC000820938889 599630195 /nfs/dbraw/zinc/63/01/95/599630195.db2.gz OELXENLUMQAPJC-INWMFGNUSA-N -1 3 373.457 3.188 20 0 FGADHM CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC000820938889 599630196 /nfs/dbraw/zinc/63/01/96/599630196.db2.gz OELXENLUMQAPJC-INWMFGNUSA-N -1 3 373.457 3.188 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1cc(Cl)ccn1 ZINC000823303676 599634200 /nfs/dbraw/zinc/63/42/00/599634200.db2.gz QPPNZAAHZGMSIL-UHFFFAOYSA-N -1 3 368.706 3.186 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1cc(Cl)ccn1 ZINC000823303676 599634201 /nfs/dbraw/zinc/63/42/01/599634201.db2.gz QPPNZAAHZGMSIL-UHFFFAOYSA-N -1 3 368.706 3.186 20 0 FGADHM CCN(Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)c1ccccc1F ZINC000821230754 599636544 /nfs/dbraw/zinc/63/65/44/599636544.db2.gz QBUGZRWHHGVEEX-UHFFFAOYSA-N -1 3 365.372 3.082 20 0 FGADHM CCN(Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)c1ccccc1F ZINC000821230754 599636545 /nfs/dbraw/zinc/63/65/45/599636545.db2.gz QBUGZRWHHGVEEX-UHFFFAOYSA-N -1 3 365.372 3.082 20 0 FGADHM Cc1cc(-c2nn[n-]n2)cc(C)c1OCc1nc([C@@H](C)OCC(C)C)no1 ZINC000822136322 599646855 /nfs/dbraw/zinc/64/68/55/599646855.db2.gz LMDKYLQZSYBQQB-CYBMUJFWSA-N -1 3 372.429 3.179 20 0 FGADHM CC(C)C[C@@H](C)CC(=O)OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000820056734 599659847 /nfs/dbraw/zinc/65/98/47/599659847.db2.gz RHHMOXWYLQXXJY-GFCCVEGCSA-N -1 3 370.413 3.032 20 0 FGADHM CC(C)C[C@@H](C)CC(=O)OCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000820056734 599659848 /nfs/dbraw/zinc/65/98/48/599659848.db2.gz RHHMOXWYLQXXJY-GFCCVEGCSA-N -1 3 370.413 3.032 20 0 FGADHM CC[C@H](CC(=O)OCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)C(C)C ZINC000820882583 599660492 /nfs/dbraw/zinc/66/04/92/599660492.db2.gz UQFUJQMBYXVDNA-GFCCVEGCSA-N -1 3 370.413 3.032 20 0 FGADHM CC[C@H](CC(=O)OCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)C(C)C ZINC000820882583 599660493 /nfs/dbraw/zinc/66/04/93/599660493.db2.gz UQFUJQMBYXVDNA-GFCCVEGCSA-N -1 3 370.413 3.032 20 0 FGADHM CCCCCC[C@H](C)C(=O)O[C@@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000821051197 599665042 /nfs/dbraw/zinc/66/50/42/599665042.db2.gz ZJWHFPDHQNHANL-KBPBESRZSA-N -1 3 373.457 3.343 20 0 FGADHM CCCCCC[C@H](C)C(=O)O[C@@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000821051197 599665043 /nfs/dbraw/zinc/66/50/43/599665043.db2.gz ZJWHFPDHQNHANL-KBPBESRZSA-N -1 3 373.457 3.343 20 0 FGADHM C[C@H](C(=O)OCCCOc1ccc(-c2nn[n-]n2)cc1)c1cccc(F)c1 ZINC000819883672 599666629 /nfs/dbraw/zinc/66/66/29/599666629.db2.gz KLPNNDNMEQGKJS-ZDUSSCGKSA-N -1 3 370.384 3.122 20 0 FGADHM CC(C)(C)[C@H]1CCCC[C@@H]1NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000819908184 599667658 /nfs/dbraw/zinc/66/76/58/599667658.db2.gz XFZLGZHNJOFXPH-HOCLYGCPSA-N -1 3 374.464 3.410 20 0 FGADHM CC(C)(C)[C@H]1CCCC[C@@H]1NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000819908184 599667659 /nfs/dbraw/zinc/66/76/59/599667659.db2.gz XFZLGZHNJOFXPH-HOCLYGCPSA-N -1 3 374.464 3.410 20 0 FGADHM Cc1cccc(C(C)(C)NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000822289533 599681584 /nfs/dbraw/zinc/68/15/84/599681584.db2.gz YVJPFQTWLGZUFQ-AWEZNQCLSA-N -1 3 364.453 3.471 20 0 FGADHM Cc1cccc(C(C)(C)NC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000822289533 599681585 /nfs/dbraw/zinc/68/15/85/599681585.db2.gz YVJPFQTWLGZUFQ-AWEZNQCLSA-N -1 3 364.453 3.471 20 0 FGADHM CC(C)[C@@H]1CCCN(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000820348933 599682030 /nfs/dbraw/zinc/68/20/30/599682030.db2.gz GVTGSMMQNACCDW-HUUCEWRRSA-N -1 3 356.474 3.395 20 0 FGADHM CC(C)[C@@H]1CCCN(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000820348933 599682031 /nfs/dbraw/zinc/68/20/31/599682031.db2.gz GVTGSMMQNACCDW-HUUCEWRRSA-N -1 3 356.474 3.395 20 0 FGADHM CC(C)[C@H]1CCCN(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000820348928 599682165 /nfs/dbraw/zinc/68/21/65/599682165.db2.gz GVTGSMMQNACCDW-CABCVRRESA-N -1 3 356.474 3.395 20 0 FGADHM CC(C)[C@H]1CCCN(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000820348928 599682166 /nfs/dbraw/zinc/68/21/66/599682166.db2.gz GVTGSMMQNACCDW-CABCVRRESA-N -1 3 356.474 3.395 20 0 FGADHM CCC(CC)(CCO)CNc1c(-c2nnn[n-]2)cnc2c(C)cc(C)cc21 ZINC000820887906 599688228 /nfs/dbraw/zinc/68/82/28/599688228.db2.gz XDWZPSLRPLEFFG-UHFFFAOYSA-N -1 3 368.485 3.054 20 0 FGADHM CCC(CC)(CCO)CNc1c(-c2nn[n-]n2)cnc2c(C)cc(C)cc21 ZINC000820887906 599688229 /nfs/dbraw/zinc/68/82/29/599688229.db2.gz XDWZPSLRPLEFFG-UHFFFAOYSA-N -1 3 368.485 3.054 20 0 FGADHM Cc1oc(C(=O)[O-])cc1CN1CCC(C(=O)Nc2cccc(F)c2)CC1 ZINC000738956764 599717009 /nfs/dbraw/zinc/71/70/09/599717009.db2.gz GJXWRRFKJMSFKC-UHFFFAOYSA-N -1 3 360.385 3.276 20 0 FGADHM Cc1ccc(NC(=O)NC[C@H]2CCCN(Cc3ccoc3C(=O)[O-])C2)cc1 ZINC000738625022 599772046 /nfs/dbraw/zinc/77/20/46/599772046.db2.gz OCZYXJAXJMDCSZ-OAHLLOKOSA-N -1 3 371.437 3.320 20 0 FGADHM O=C([O-])CCc1ccc(NC(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000312484613 599828164 /nfs/dbraw/zinc/82/81/64/599828164.db2.gz OIOMKTKXVTZQER-IBGZPJMESA-N -1 3 367.449 3.100 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)O[C@H](C1CCCC1)C(F)(F)F ZINC000826251128 607402517 /nfs/dbraw/zinc/40/25/17/607402517.db2.gz GDHWATRYHHGUOZ-CYBMUJFWSA-N -1 3 354.332 3.453 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)O[C@H](C1CCCC1)C(F)(F)F ZINC000826251128 607402519 /nfs/dbraw/zinc/40/25/19/607402519.db2.gz GDHWATRYHHGUOZ-CYBMUJFWSA-N -1 3 354.332 3.453 20 0 FGADHM Cc1ccc([C@@H](C)C(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)o1 ZINC000822227866 607402682 /nfs/dbraw/zinc/40/26/82/607402682.db2.gz YTZAVUUTCFHFSP-GFCCVEGCSA-N -1 3 355.398 3.298 20 0 FGADHM Cc1ccc([C@@H](C)C(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)o1 ZINC000822227866 607402683 /nfs/dbraw/zinc/40/26/83/607402683.db2.gz YTZAVUUTCFHFSP-GFCCVEGCSA-N -1 3 355.398 3.298 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)C[C@H]1CCOc2ccccc21 ZINC000826253455 607403551 /nfs/dbraw/zinc/40/35/51/607403551.db2.gz RCAHIQBXESUYJE-CQSZACIVSA-N -1 3 364.405 3.175 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)C[C@H]1CCOc2ccccc21 ZINC000826253455 607403553 /nfs/dbraw/zinc/40/35/53/607403553.db2.gz RCAHIQBXESUYJE-CQSZACIVSA-N -1 3 364.405 3.175 20 0 FGADHM O=C([O-])Nc1cccc(C(=O)NC[C@H](c2ccccc2)N2CCCC2)c1 ZINC000740028874 599928810 /nfs/dbraw/zinc/92/88/10/599928810.db2.gz JOGQWLMLIOBOMR-GOSISDBHSA-N -1 3 353.422 3.343 20 0 FGADHM Cc1cncc(C=CC(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)c1 ZINC000822399383 607407467 /nfs/dbraw/zinc/40/74/67/607407467.db2.gz FTXILPNNJNTHFM-DAXSKMNVSA-N -1 3 364.409 3.009 20 0 FGADHM Cc1cncc(C=CC(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)c1 ZINC000822399383 607407470 /nfs/dbraw/zinc/40/74/70/607407470.db2.gz FTXILPNNJNTHFM-DAXSKMNVSA-N -1 3 364.409 3.009 20 0 FGADHM Cc1ccsc1[C@H]1C[C@H]1C(=O)OCc1ccc(-c2nnn[n-]2)cc1C ZINC000826253165 607407940 /nfs/dbraw/zinc/40/79/40/607407940.db2.gz HDJWBOSSGYQQNQ-LSDHHAIUSA-N -1 3 354.435 3.392 20 0 FGADHM Cc1ccsc1[C@H]1C[C@H]1C(=O)OCc1ccc(-c2nn[n-]n2)cc1C ZINC000826253165 607407941 /nfs/dbraw/zinc/40/79/41/607407941.db2.gz HDJWBOSSGYQQNQ-LSDHHAIUSA-N -1 3 354.435 3.392 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000826253657 607409735 /nfs/dbraw/zinc/40/97/35/607409735.db2.gz YBFADKWBJFXUQA-GOEBONIOSA-N -1 3 370.359 3.300 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000826253657 607409736 /nfs/dbraw/zinc/40/97/36/607409736.db2.gz YBFADKWBJFXUQA-GOEBONIOSA-N -1 3 370.359 3.300 20 0 FGADHM C[C@H](C(=O)Nc1cccc(CSCC(=O)[O-])c1)N1[C@H](C)CC[C@@H]1C ZINC000736760740 599991596 /nfs/dbraw/zinc/99/15/96/599991596.db2.gz DSEIURSLSLYOIC-HZSPNIEDSA-N -1 3 350.484 3.204 20 0 FGADHM O=C([O-])c1ccc(CCC(=O)N[C@H](CN2CCCC2)c2ccccc2)cc1 ZINC000739251086 600038350 /nfs/dbraw/zinc/03/83/50/600038350.db2.gz GUFMKVBQSWEEOW-HXUWFJFHSA-N -1 3 366.461 3.271 20 0 FGADHM Cc1ccc2[nH]c(C(=O)NC3(c4cccc(-c5nnn[n-]5)c4)CC3)cc2c1 ZINC000826293510 607415870 /nfs/dbraw/zinc/41/58/70/607415870.db2.gz RMPUSLNAGLFFAL-UHFFFAOYSA-N -1 3 358.405 3.076 20 0 FGADHM Cc1ccc2[nH]c(C(=O)NC3(c4cccc(-c5nn[n-]n5)c4)CC3)cc2c1 ZINC000826293510 607415871 /nfs/dbraw/zinc/41/58/71/607415871.db2.gz RMPUSLNAGLFFAL-UHFFFAOYSA-N -1 3 358.405 3.076 20 0 FGADHM Cc1ccc(/C=C/CC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC000826285517 607417693 /nfs/dbraw/zinc/41/76/93/607417693.db2.gz BPNWOJNELGPXLW-DUXPYHPUSA-N -1 3 359.433 3.384 20 0 FGADHM Cc1ccc(/C=C/CC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000826285517 607417695 /nfs/dbraw/zinc/41/76/95/607417695.db2.gz BPNWOJNELGPXLW-DUXPYHPUSA-N -1 3 359.433 3.384 20 0 FGADHM CC(C)(C)OC(=O)N1CCC(CN2Cc3ccc(C(=O)[O-])cc3C2)CC1 ZINC000736272898 600089155 /nfs/dbraw/zinc/08/91/55/600089155.db2.gz GZBZVNAMBKGPMK-UHFFFAOYSA-N -1 3 360.454 3.348 20 0 FGADHM O=C(NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000826428244 607420034 /nfs/dbraw/zinc/42/00/34/607420034.db2.gz ULHUEYITNVFOAC-UHFFFAOYSA-N -1 3 373.338 3.305 20 0 FGADHM O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000826428244 607420036 /nfs/dbraw/zinc/42/00/36/607420036.db2.gz ULHUEYITNVFOAC-UHFFFAOYSA-N -1 3 373.338 3.305 20 0 FGADHM CC(C)Oc1ccc(NC(=O)N2CCC3(CCC3)C2)cc1-c1nnn[n-]1 ZINC000820165424 607429149 /nfs/dbraw/zinc/42/91/49/607429149.db2.gz PSXBRUQLRUWMIM-UHFFFAOYSA-N -1 3 356.430 3.062 20 0 FGADHM CC(C)Oc1ccc(NC(=O)N2CCC3(CCC3)C2)cc1-c1nn[n-]n1 ZINC000820165424 607429150 /nfs/dbraw/zinc/42/91/50/607429150.db2.gz PSXBRUQLRUWMIM-UHFFFAOYSA-N -1 3 356.430 3.062 20 0 FGADHM COc1ccc([C@@H](NCc2cc(Br)cs2)C(=O)[O-])cc1 ZINC000737968670 600261874 /nfs/dbraw/zinc/26/18/74/600261874.db2.gz CRVBKHFGBSOLON-CYBMUJFWSA-N -1 3 356.241 3.435 20 0 FGADHM Cc1cccc(CNC(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)c1 ZINC000822303769 607433929 /nfs/dbraw/zinc/43/39/29/607433929.db2.gz IPKDTCKYSXLTRS-UHFFFAOYSA-N -1 3 366.425 3.284 20 0 FGADHM Cc1cccc(CNC(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)c1 ZINC000822303769 607433930 /nfs/dbraw/zinc/43/39/30/607433930.db2.gz IPKDTCKYSXLTRS-UHFFFAOYSA-N -1 3 366.425 3.284 20 0 FGADHM CN(C(=O)Cc1c[nH]c2cc(Cl)ccc12)c1ccc(-c2nnn[n-]2)cc1 ZINC000825820438 607434205 /nfs/dbraw/zinc/43/42/05/607434205.db2.gz FNRFANPSMQXIRK-UHFFFAOYSA-N -1 3 366.812 3.207 20 0 FGADHM CN(C(=O)Cc1c[nH]c2cc(Cl)ccc12)c1ccc(-c2nn[n-]n2)cc1 ZINC000825820438 607434207 /nfs/dbraw/zinc/43/42/07/607434207.db2.gz FNRFANPSMQXIRK-UHFFFAOYSA-N -1 3 366.812 3.207 20 0 FGADHM O=C([O-])CCN(Cc1ccc(F)c(F)c1)C[C@H]1COc2ccccc2O1 ZINC000739720035 600375580 /nfs/dbraw/zinc/37/55/80/600375580.db2.gz GUGOZPLVRYASDV-AWEZNQCLSA-N -1 3 363.360 3.082 20 0 FGADHM Cc1oc(CN(C)C(=O)c2oc3ccccc3c2CN(C)C)cc1C(=O)[O-] ZINC000738967496 600387147 /nfs/dbraw/zinc/38/71/47/600387147.db2.gz VGIHHGUEPBDPCX-UHFFFAOYSA-N -1 3 370.405 3.366 20 0 FGADHM Cc1cccc(CN(CCN(C)C)C(=O)Nc2ccc(C(=O)[O-])cc2F)c1 ZINC000738708901 600402472 /nfs/dbraw/zinc/40/24/72/600402472.db2.gz NYLUXSDSBQAILW-UHFFFAOYSA-N -1 3 373.428 3.428 20 0 FGADHM CCN(c1ccc(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)cc1)C(C)C ZINC000825445182 607441400 /nfs/dbraw/zinc/44/14/00/607441400.db2.gz WXXDGYDGFDTHQF-UHFFFAOYSA-N -1 3 364.453 3.378 20 0 FGADHM CCN(c1ccc(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)cc1)C(C)C ZINC000825445182 607441402 /nfs/dbraw/zinc/44/14/02/607441402.db2.gz WXXDGYDGFDTHQF-UHFFFAOYSA-N -1 3 364.453 3.378 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)c1ccc(Cl)nc1Cl ZINC000826253887 607445621 /nfs/dbraw/zinc/44/56/21/607445621.db2.gz JTEDFQHBSAIAIZ-UHFFFAOYSA-N -1 3 364.192 3.234 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)c1ccc(Cl)nc1Cl ZINC000826253887 607445622 /nfs/dbraw/zinc/44/56/22/607445622.db2.gz JTEDFQHBSAIAIZ-UHFFFAOYSA-N -1 3 364.192 3.234 20 0 FGADHM O=C([O-])c1ccc(NC(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1Cl ZINC000389364564 600508138 /nfs/dbraw/zinc/50/81/38/600508138.db2.gz CUQSDYCQUJOHGA-HNNXBMFYSA-N -1 3 373.840 3.434 20 0 FGADHM CCN1CCCC[C@H]1C(=O)NC[C@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC000737117216 600600842 /nfs/dbraw/zinc/60/08/42/600600842.db2.gz YYFDSTSYROJLTR-ICSRJNTNSA-N -1 3 368.477 3.074 20 0 FGADHM O=C(N[C@@H]1CC[C@H]2CCC[C@H]2C1)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826429395 607460057 /nfs/dbraw/zinc/46/00/57/607460057.db2.gz BHBVWVJOZYIBQS-JKIFEVAISA-N -1 3 366.469 3.124 20 0 FGADHM O=C(N[C@@H]1CC[C@H]2CCC[C@H]2C1)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826429395 607460058 /nfs/dbraw/zinc/46/00/58/607460058.db2.gz BHBVWVJOZYIBQS-JKIFEVAISA-N -1 3 366.469 3.124 20 0 FGADHM Cc1[nH]c(C(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)c(C)c1C(=O)[O-] ZINC000738158953 600702062 /nfs/dbraw/zinc/70/20/62/600702062.db2.gz JXWCPNBZUXBRML-AWEZNQCLSA-N -1 3 369.465 3.066 20 0 FGADHM O=C([O-])N1CCC[C@@H](NCc2cc(Cl)ccc2OC[C@@H]2CCCO2)C1 ZINC000833279154 600762779 /nfs/dbraw/zinc/76/27/79/600762779.db2.gz IIWZGSCERZCQNQ-CVEARBPZSA-N -1 3 368.861 3.130 20 0 FGADHM Fc1cc(CNCc2ccc(-c3nn[n-]n3)cc2F)cc(C(F)(F)F)c1 ZINC000822748172 607481043 /nfs/dbraw/zinc/48/10/43/607481043.db2.gz LDVDICNAIACOOT-UHFFFAOYSA-N -1 3 369.297 3.454 20 0 FGADHM Cc1ccc([C@@H]2CCCCN2C[C@@H](O)COc2ccc(C(=O)[O-])cc2)o1 ZINC000738583794 600968924 /nfs/dbraw/zinc/96/89/24/600968924.db2.gz RRRWEYPWHIWWKR-AEFFLSMTSA-N -1 3 359.422 3.253 20 0 FGADHM CC[C@H](C)[C@H](NC(=O)CN[C@@H](c1ccc(Cl)cc1)C(C)C)C(=O)[O-] ZINC000828720707 600985071 /nfs/dbraw/zinc/98/50/71/600985071.db2.gz YQXUFVGPHVSONB-VUCTXSBTSA-N -1 3 354.878 3.242 20 0 FGADHM CCCC[C@@H](C(=O)[O-])N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000829277301 600985284 /nfs/dbraw/zinc/98/52/84/600985284.db2.gz UHTZJVJSBOZTPV-HNNXBMFYSA-N -1 3 372.387 3.107 20 0 FGADHM Fc1cc(-c2nnn[n-]2)ccc1CN[C@@H](c1ccccc1)c1cccnc1 ZINC000822740736 607479359 /nfs/dbraw/zinc/47/93/59/607479359.db2.gz MXKZPIYFROPMQV-IBGZPJMESA-N -1 3 360.396 3.280 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1CN[C@@H](c1ccccc1)c1cccnc1 ZINC000822740736 607479361 /nfs/dbraw/zinc/47/93/61/607479361.db2.gz MXKZPIYFROPMQV-IBGZPJMESA-N -1 3 360.396 3.280 20 0 FGADHM CC(C)c1cnc(CN(C)[C@H]2CCN(Cc3cccc(C(=O)[O-])c3)C2)o1 ZINC000643434777 601114343 /nfs/dbraw/zinc/11/43/43/601114343.db2.gz GBGNRROVKBHPQD-KRWDZBQOSA-N -1 3 357.454 3.203 20 0 FGADHM CC(C)c1cnc(CN(C)[C@H]2CCN(Cc3ccc(C(=O)[O-])cc3)C2)o1 ZINC000653372082 601114737 /nfs/dbraw/zinc/11/47/37/601114737.db2.gz POMJOPWASUKQGS-KRWDZBQOSA-N -1 3 357.454 3.203 20 0 FGADHM Cc1ccc(CN(C)C)cc1NC(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC000832932492 601148483 /nfs/dbraw/zinc/14/84/83/601148483.db2.gz ZKIXQHGDQRAPAY-UHFFFAOYSA-N -1 3 365.433 3.348 20 0 FGADHM CCN(Cc1ccc(OC)c(-c2nnn[n-]2)c1)Cc1c(F)cccc1F ZINC000825435219 607492482 /nfs/dbraw/zinc/49/24/82/607492482.db2.gz PXALHARYTTVYNB-UHFFFAOYSA-N -1 3 359.380 3.176 20 0 FGADHM CCN(Cc1ccc(OC)c(-c2nn[n-]n2)c1)Cc1c(F)cccc1F ZINC000825435219 607492483 /nfs/dbraw/zinc/49/24/83/607492483.db2.gz PXALHARYTTVYNB-UHFFFAOYSA-N -1 3 359.380 3.176 20 0 FGADHM Clc1cc(-c2nnn[n-]2)cnc1N(Cc1ccccc1)C[C@@H]1CCCO1 ZINC000822564223 607495084 /nfs/dbraw/zinc/49/50/84/607495084.db2.gz WNHWERPUAYLYJZ-HNNXBMFYSA-N -1 3 370.844 3.101 20 0 FGADHM Clc1cc(-c2nn[n-]n2)cnc1N(Cc1ccccc1)C[C@@H]1CCCO1 ZINC000822564223 607495085 /nfs/dbraw/zinc/49/50/85/607495085.db2.gz WNHWERPUAYLYJZ-HNNXBMFYSA-N -1 3 370.844 3.101 20 0 FGADHM Cc1ccc(CNC(=O)C2CCN([C@H](C)c3ccc(C(=O)[O-])o3)CC2)cc1 ZINC000832932340 601354562 /nfs/dbraw/zinc/35/45/62/601354562.db2.gz HMXQIPYGIORRHL-OAHLLOKOSA-N -1 3 370.449 3.376 20 0 FGADHM CN(C)Cc1ccc(-c2noc(CCc3ccc(C(=O)[O-])cc3)n2)cc1 ZINC000830620592 601367842 /nfs/dbraw/zinc/36/78/42/601367842.db2.gz XGQRECCUHXSZOR-UHFFFAOYSA-N -1 3 351.406 3.282 20 0 FGADHM CCc1oc(C(=O)[O-])cc1CN1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000830369152 601420558 /nfs/dbraw/zinc/42/05/58/601420558.db2.gz KMYLRGMYERSHPQ-TZMCWYRMSA-N -1 3 366.458 3.275 20 0 FGADHM COC[C@@](C)(CC(=O)[O-])NCc1ccc(Br)cc1Cl ZINC000831579301 601490546 /nfs/dbraw/zinc/49/05/46/601490546.db2.gz ZKMQGWWAFHPBAZ-CYBMUJFWSA-N -1 3 350.640 3.072 20 0 FGADHM C[C@@H]1CN(Cc2ncc(-c3ccccc3Br)o2)C[C@H]1C(=O)[O-] ZINC000828462174 601505362 /nfs/dbraw/zinc/50/53/62/601505362.db2.gz HQVGVDSTZNTKAF-ZYHUDNBSSA-N -1 3 365.227 3.257 20 0 FGADHM COc1ccc(C2(NCc3ccc(C(=O)[O-])c(F)c3)CCOCC2)cc1 ZINC000832266241 601632996 /nfs/dbraw/zinc/63/29/96/601632996.db2.gz WZNWSNPHXSZBEB-UHFFFAOYSA-N -1 3 359.397 3.328 20 0 FGADHM CCc1ccc(CN(C)C(=O)CN[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])cc1 ZINC000830245183 601655781 /nfs/dbraw/zinc/65/57/81/601655781.db2.gz RZLZYJDIGQYLQA-HRAATJIYSA-N -1 3 368.477 3.259 20 0 FGADHM C[C@H](C(=O)[O-])[C@H](NCC(=O)NCc1cccc(Cl)c1)c1ccccc1 ZINC000826055186 601656888 /nfs/dbraw/zinc/65/68/88/601656888.db2.gz WPSOPFJSOXQOSH-UGSOOPFHSA-N -1 3 360.841 3.008 20 0 FGADHM C[C@@H](NC(=O)[C@@H](C)N1CCC(CCC(=O)[O-])CC1)c1ccc(Cl)cc1 ZINC000662218108 601840130 /nfs/dbraw/zinc/84/01/30/601840130.db2.gz LUAPPIFUHSEDOX-ZIAGYGMSSA-N -1 3 366.889 3.483 20 0 FGADHM CN(CCOc1ccccc1F)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830795521 601906249 /nfs/dbraw/zinc/90/62/49/601906249.db2.gz WLPXDDPMQXTLES-INIZCTEOSA-N -1 3 357.303 3.380 20 0 FGADHM Cc1cc(F)ccc1[C@@H](O)CN(C)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000832890547 601907200 /nfs/dbraw/zinc/90/72/00/601907200.db2.gz WMTMSZDDOFDQEA-RDJZCZTQSA-N -1 3 371.330 3.343 20 0 FGADHM COCc1cccc(CSCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826164749 607533964 /nfs/dbraw/zinc/53/39/64/607533964.db2.gz OEPJXJTWWQLUIB-UHFFFAOYSA-N -1 3 356.451 3.325 20 0 FGADHM COCc1cccc(CSCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826164749 607533966 /nfs/dbraw/zinc/53/39/66/607533966.db2.gz OEPJXJTWWQLUIB-UHFFFAOYSA-N -1 3 356.451 3.325 20 0 FGADHM CC(C)N1CCCN(C(=O)c2cc(NC(=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000826966092 601995264 /nfs/dbraw/zinc/99/52/64/601995264.db2.gz KOQLRZGXQPGYQE-UHFFFAOYSA-N -1 3 373.375 3.352 20 0 FGADHM Fc1cccc([C@H](NCc2ccnc(-c3nnn[n-]3)c2)c2ccccc2)c1 ZINC000826376547 607552487 /nfs/dbraw/zinc/55/24/87/607552487.db2.gz IQTLJVQZKQALTA-LJQANCHMSA-N -1 3 360.396 3.280 20 0 FGADHM COc1ccc(-c2nc(CN[C@H](C(=O)[O-])C(C)(C)C)cs2)cc1OC ZINC000832129541 602225128 /nfs/dbraw/zinc/22/51/28/602225128.db2.gz AYGMFPDDVBGAJX-OAHLLOKOSA-N -1 3 364.467 3.416 20 0 FGADHM COc1cc(-c2nc(CN[C@H](C(=O)[O-])C(C)(C)C)cs2)ccc1O ZINC000831856449 602227234 /nfs/dbraw/zinc/22/72/34/602227234.db2.gz HFZQHZAICQCVEB-CQSZACIVSA-N -1 3 350.440 3.113 20 0 FGADHM Fc1cc(-c2nnn[n-]2)ccc1CNc1ccc2c(cnn2C(F)F)c1 ZINC000826371368 607553602 /nfs/dbraw/zinc/55/36/02/607553602.db2.gz CYULXCAGEJRJRD-UHFFFAOYSA-N -1 3 359.315 3.363 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1CNc1ccc2c(cnn2C(F)F)c1 ZINC000826371368 607553604 /nfs/dbraw/zinc/55/36/04/607553604.db2.gz CYULXCAGEJRJRD-UHFFFAOYSA-N -1 3 359.315 3.363 20 0 FGADHM CC(C)[C@@H](O)CC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000824207086 607555832 /nfs/dbraw/zinc/55/58/32/607555832.db2.gz PJYCTBKBYRPBHS-INIZCTEOSA-N -1 3 367.409 3.005 20 0 FGADHM CC(C)[C@@H](O)CC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000824207086 607555835 /nfs/dbraw/zinc/55/58/35/607555835.db2.gz PJYCTBKBYRPBHS-INIZCTEOSA-N -1 3 367.409 3.005 20 0 FGADHM CC(C)[C@H](O)CC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000824207403 607557613 /nfs/dbraw/zinc/55/76/13/607557613.db2.gz VTHZJZJTCPCSCI-QGZVFWFLSA-N -1 3 367.409 3.005 20 0 FGADHM CC(C)[C@H](O)CC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000824207403 607557615 /nfs/dbraw/zinc/55/76/15/607557615.db2.gz VTHZJZJTCPCSCI-QGZVFWFLSA-N -1 3 367.409 3.005 20 0 FGADHM CN(C(=O)Nc1ccc(C(=O)[O-])cc1F)[C@H]1CCN(Cc2ccccc2)C1 ZINC000312664623 602364061 /nfs/dbraw/zinc/36/40/61/602364061.db2.gz IAYAVYSGJPFNMG-INIZCTEOSA-N -1 3 371.412 3.262 20 0 FGADHM CN(C)CCN(CCc1ccccc1)C(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000739606403 602484614 /nfs/dbraw/zinc/48/46/14/602484614.db2.gz QTAUBORBJOEKRV-UHFFFAOYSA-N -1 3 373.428 3.162 20 0 FGADHM C[C@H](C(=O)N(CCN(C)C)c1ccccc1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823653594 602766372 /nfs/dbraw/zinc/76/63/72/602766372.db2.gz CDOZNWWNXOACSF-QFBILLFUSA-N -1 3 369.465 3.226 20 0 FGADHM C[C@H]1CN(Cc2ccc(C(=O)Nc3ccccc3)cc2)CC[C@H]1NC(=O)[O-] ZINC000739184345 602771536 /nfs/dbraw/zinc/77/15/36/602771536.db2.gz KFMBZNXXHRQLJT-HNAYVOBHSA-N -1 3 367.449 3.417 20 0 FGADHM COc1ccc(COC(=O)C/C=C\c2ccc(F)cc2)cc1-c1nnn[n-]1 ZINC000826204815 607612006 /nfs/dbraw/zinc/61/20/06/607612006.db2.gz ALWFRVLELCXADU-IHWYPQMZSA-N -1 3 368.368 3.161 20 0 FGADHM COc1ccc(COC(=O)C/C=C\c2ccc(F)cc2)cc1-c1nn[n-]n1 ZINC000826204815 607612008 /nfs/dbraw/zinc/61/20/08/607612008.db2.gz ALWFRVLELCXADU-IHWYPQMZSA-N -1 3 368.368 3.161 20 0 FGADHM Cc1c(Cl)cccc1NC(=O)CCNCc1ccc(NC(=O)[O-])nc1 ZINC000829867117 603547806 /nfs/dbraw/zinc/54/78/06/603547806.db2.gz JIEFESMIWKIZHS-UHFFFAOYSA-N -1 3 362.817 3.252 20 0 FGADHM C[C@H](NCc1ccc(NC(=O)[O-])nc1)[C@@H](O)c1c(F)cccc1Cl ZINC000825501090 603559868 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20 0 FGADHM CN(Cc1ccc(NC(=O)OC(C)(C)C)nc1)C1CCN(C(=O)[O-])CC1 ZINC000833874416 605531079 /nfs/dbraw/zinc/53/10/79/605531079.db2.gz LVWVVJMBPPOWAB-UHFFFAOYSA-N -1 3 364.446 3.003 20 0 FGADHM O=C([O-])NC[C@H]1CCCN(Cc2ccccc2OCc2ccncc2)C1 ZINC000834216653 605554948 /nfs/dbraw/zinc/55/49/48/605554948.db2.gz UIYLWRRLNBOTGV-QGZVFWFLSA-N -1 3 355.438 3.140 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCC1(C2CC2)CCC1 ZINC000825317981 607761858 /nfs/dbraw/zinc/76/18/58/607761858.db2.gz GCVHQMMPMZYONT-UHFFFAOYSA-N -1 3 368.485 3.369 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCC1(C2CC2)CCC1 ZINC000825317981 607761859 /nfs/dbraw/zinc/76/18/59/607761859.db2.gz GCVHQMMPMZYONT-UHFFFAOYSA-N -1 3 368.485 3.369 20 0 FGADHM CCOc1cc(Cl)ccc1CNC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000825616110 607767944 /nfs/dbraw/zinc/76/79/44/607767944.db2.gz WUMJIKIWDDUWGY-UHFFFAOYSA-N -1 3 371.828 3.157 20 0 FGADHM CCOc1cc(Cl)ccc1CNC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000825616110 607767945 /nfs/dbraw/zinc/76/79/45/607767945.db2.gz WUMJIKIWDDUWGY-UHFFFAOYSA-N -1 3 371.828 3.157 20 0 FGADHM CC(C)SCC(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000824338358 607770181 /nfs/dbraw/zinc/77/01/81/607770181.db2.gz YETANYFUZTUCIM-UHFFFAOYSA-N -1 3 360.468 3.070 20 0 FGADHM CC(C)SCC(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000824338358 607770182 /nfs/dbraw/zinc/77/01/82/607770182.db2.gz YETANYFUZTUCIM-UHFFFAOYSA-N -1 3 360.468 3.070 20 0 FGADHM Cc1nccn1-c1ccc(CN[C@@H]2C[C@H](NC(=O)[O-])c3ccccc32)cn1 ZINC000833919368 605791179 /nfs/dbraw/zinc/79/11/79/605791179.db2.gz WPZNJXHSZWJODQ-MSOLQXFVSA-N -1 3 363.421 3.119 20 0 FGADHM COc1ccc(OC)c(CNc2nc3ccccc3cc2-c2nnn[n-]2)c1 ZINC000821842630 606035491 /nfs/dbraw/zinc/03/54/91/606035491.db2.gz URVPWSQDDOHDAE-UHFFFAOYSA-N -1 3 362.393 3.044 20 0 FGADHM COc1ccc(OC)c(CNc2nc3ccccc3cc2-c2nn[n-]n2)c1 ZINC000821842630 606035495 /nfs/dbraw/zinc/03/54/95/606035495.db2.gz URVPWSQDDOHDAE-UHFFFAOYSA-N -1 3 362.393 3.044 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)[C@H](C)c1cccnc1 ZINC000821389515 606053877 /nfs/dbraw/zinc/05/38/77/606053877.db2.gz MPHQUNNWRWDWII-SNVBAGLBSA-N -1 3 373.800 3.023 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)[C@H](C)c1cccnc1 ZINC000821389515 606053884 /nfs/dbraw/zinc/05/38/84/606053884.db2.gz MPHQUNNWRWDWII-SNVBAGLBSA-N -1 3 373.800 3.023 20 0 FGADHM FC(F)Oc1ccc2c(c1)CCC[C@@H]2Nc1ccc(-c2nnn[n-]2)nc1 ZINC000822737420 606064492 /nfs/dbraw/zinc/06/44/92/606064492.db2.gz UZRWVDFXNHEZMZ-AWEZNQCLSA-N -1 3 358.352 3.353 20 0 FGADHM FC(F)Oc1ccc2c(c1)CCC[C@@H]2Nc1ccc(-c2nn[n-]n2)nc1 ZINC000822737420 606064497 /nfs/dbraw/zinc/06/44/97/606064497.db2.gz UZRWVDFXNHEZMZ-AWEZNQCLSA-N -1 3 358.352 3.353 20 0 FGADHM Cc1ccc([C@H]2OCCC[C@@H]2CNc2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000822233685 606097615 /nfs/dbraw/zinc/09/76/15/606097615.db2.gz STUFANWPMKFZKT-CRAIPNDOSA-N -1 3 350.426 3.150 20 0 FGADHM Cc1ccc([C@H]2OCCC[C@@H]2CNc2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000822233685 606097619 /nfs/dbraw/zinc/09/76/19/606097619.db2.gz STUFANWPMKFZKT-CRAIPNDOSA-N -1 3 350.426 3.150 20 0 FGADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000820529315 606104140 /nfs/dbraw/zinc/10/41/40/606104140.db2.gz QKGHZVOBVTYIQE-HDEZJCGLSA-N -1 3 369.469 3.109 20 0 FGADHM Fc1cc(F)c2ncc(-c3nnn[n-]3)c(N3C[C@@H]4CCCC[C@@H]4C3)c2c1 ZINC000822753482 606106466 /nfs/dbraw/zinc/10/64/66/606106466.db2.gz NUHIQZVMJFTKOK-PHIMTYICSA-N -1 3 356.380 3.320 20 0 FGADHM Fc1cc(F)c2ncc(-c3nn[n-]n3)c(N3C[C@@H]4CCCC[C@@H]4C3)c2c1 ZINC000822753482 606106468 /nfs/dbraw/zinc/10/64/68/606106468.db2.gz NUHIQZVMJFTKOK-PHIMTYICSA-N -1 3 356.380 3.320 20 0 FGADHM C[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)cc2)[C@@H]1c1cccc(F)c1 ZINC000820716706 606110042 /nfs/dbraw/zinc/11/00/42/606110042.db2.gz KMLWPRMGVQXJMG-PXAZEXFGSA-N -1 3 351.385 3.229 20 0 FGADHM C[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)cc2)[C@@H]1c1cccc(F)c1 ZINC000820716706 606110044 /nfs/dbraw/zinc/11/00/44/606110044.db2.gz KMLWPRMGVQXJMG-PXAZEXFGSA-N -1 3 351.385 3.229 20 0 FGADHM CC(=CC(=O)NCc1cc(-c2nnn[n-]2)ccc1F)c1cccc(Cl)c1 ZINC000819766462 606112439 /nfs/dbraw/zinc/11/24/39/606112439.db2.gz ZDJLPVJLQXDHBC-YRNVUSSQSA-N -1 3 371.803 3.379 20 0 FGADHM CC(=CC(=O)NCc1cc(-c2nn[n-]n2)ccc1F)c1cccc(Cl)c1 ZINC000819766462 606112441 /nfs/dbraw/zinc/11/24/41/606112441.db2.gz ZDJLPVJLQXDHBC-YRNVUSSQSA-N -1 3 371.803 3.379 20 0 FGADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000822955316 606120662 /nfs/dbraw/zinc/12/06/62/606120662.db2.gz PRUSNNXBEMUNSF-CALCHBBNSA-N -1 3 369.469 3.064 20 0 FGADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000822955316 606120663 /nfs/dbraw/zinc/12/06/63/606120663.db2.gz PRUSNNXBEMUNSF-CALCHBBNSA-N -1 3 369.469 3.064 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H](C)[C@@H](C)c1ccccc1 ZINC000822218115 606120681 /nfs/dbraw/zinc/12/06/81/606120681.db2.gz XNPNTDKHBLSJJC-KGLIPLIRSA-N -1 3 350.426 3.489 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@H](C)[C@@H](C)c1ccccc1 ZINC000822218115 606120682 /nfs/dbraw/zinc/12/06/82/606120682.db2.gz XNPNTDKHBLSJJC-KGLIPLIRSA-N -1 3 350.426 3.489 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N1CCCC[C@H]1c1nccs1 ZINC000823308814 606121433 /nfs/dbraw/zinc/12/14/33/606121433.db2.gz KAPYMYOMYFQLSJ-ZDUSSCGKSA-N -1 3 355.427 3.082 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N1CCCC[C@H]1c1nccs1 ZINC000823308814 606121435 /nfs/dbraw/zinc/12/14/35/606121435.db2.gz KAPYMYOMYFQLSJ-ZDUSSCGKSA-N -1 3 355.427 3.082 20 0 FGADHM Cc1noc(C(F)(F)F)c1C(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000822519646 606127902 /nfs/dbraw/zinc/12/79/02/606127902.db2.gz KEBHMUGVULPNSP-QMMMGPOBSA-N -1 3 367.287 3.100 20 0 FGADHM Cc1noc(C(F)(F)F)c1C(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000822519646 606127904 /nfs/dbraw/zinc/12/79/04/606127904.db2.gz KEBHMUGVULPNSP-QMMMGPOBSA-N -1 3 367.287 3.100 20 0 FGADHM COc1cc(F)c([C@H](C)OC(=O)Cc2ccc(-c3nnn[n-]3)cc2)c(F)c1 ZINC000821720744 606131350 /nfs/dbraw/zinc/13/13/50/606131350.db2.gz WZOURXGBDSFPCE-JTQLQIEISA-N -1 3 374.347 3.000 20 0 FGADHM COc1cc(F)c([C@H](C)OC(=O)Cc2ccc(-c3nn[n-]n3)cc2)c(F)c1 ZINC000821720744 606131351 /nfs/dbraw/zinc/13/13/51/606131351.db2.gz WZOURXGBDSFPCE-JTQLQIEISA-N -1 3 374.347 3.000 20 0 FGADHM CCCCOc1cccc(NCc2cnc3ccc(-c4nnn[n-]4)cn23)c1 ZINC000821077418 606132421 /nfs/dbraw/zinc/13/24/21/606132421.db2.gz FKGGGWHJHJUHKF-UHFFFAOYSA-N -1 3 363.425 3.305 20 0 FGADHM CCCCOc1cccc(NCc2cnc3ccc(-c4nn[n-]n4)cn23)c1 ZINC000821077418 606132423 /nfs/dbraw/zinc/13/24/23/606132423.db2.gz FKGGGWHJHJUHKF-UHFFFAOYSA-N -1 3 363.425 3.305 20 0 FGADHM CC1(C)CCC[C@@H]1NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000820589667 606151232 /nfs/dbraw/zinc/15/12/32/606151232.db2.gz JYNWUIZSJOQGQY-LBPRGKRZSA-N -1 3 366.372 3.168 20 0 FGADHM CC1(C)CCC[C@@H]1NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000820589667 606151233 /nfs/dbraw/zinc/15/12/33/606151233.db2.gz JYNWUIZSJOQGQY-LBPRGKRZSA-N -1 3 366.372 3.168 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cnc(C2CC2)s1 ZINC000821123243 606192980 /nfs/dbraw/zinc/19/29/80/606192980.db2.gz NSHRTVMPFKKCSX-UHFFFAOYSA-N -1 3 369.454 3.275 20 0 FGADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Oc1ccccc1Cc1ccccc1 ZINC000822665722 606209677 /nfs/dbraw/zinc/20/96/77/606209677.db2.gz WWBYAIURDJKOGW-UHFFFAOYSA-N -1 3 359.389 3.015 20 0 FGADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Oc1ccccc1Cc1ccccc1 ZINC000822665722 606209678 /nfs/dbraw/zinc/20/96/78/606209678.db2.gz WWBYAIURDJKOGW-UHFFFAOYSA-N -1 3 359.389 3.015 20 0 FGADHM Clc1cccc(-c2nnn[n-]2)c1NCCCc1nc2ccccc2[nH]1 ZINC000822581176 606215403 /nfs/dbraw/zinc/21/54/03/606215403.db2.gz CYQNASUNFBYVBN-UHFFFAOYSA-N -1 3 353.817 3.441 20 0 FGADHM Clc1cccc(-c2nn[n-]n2)c1NCCCc1nc2ccccc2[nH]1 ZINC000822581176 606215405 /nfs/dbraw/zinc/21/54/05/606215405.db2.gz CYQNASUNFBYVBN-UHFFFAOYSA-N -1 3 353.817 3.441 20 0 FGADHM COc1ccc(NCc2cc(-c3nnn[n-]3)cs2)cc1Br ZINC000821835535 606218290 /nfs/dbraw/zinc/21/82/90/606218290.db2.gz MKNYWWCVWYBMOF-UHFFFAOYSA-N -1 3 366.244 3.311 20 0 FGADHM COc1ccc(NCc2cc(-c3nn[n-]n3)cs2)cc1Br ZINC000821835535 606218291 /nfs/dbraw/zinc/21/82/91/606218291.db2.gz MKNYWWCVWYBMOF-UHFFFAOYSA-N -1 3 366.244 3.311 20 0 FGADHM CN(Cc1nc2ccccc2n1C)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000821617941 606221637 /nfs/dbraw/zinc/22/16/37/606221637.db2.gz JBLRJEHEMPPXAB-UHFFFAOYSA-N -1 3 353.817 3.043 20 0 FGADHM CN(Cc1nc2ccccc2n1C)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000821617941 606221638 /nfs/dbraw/zinc/22/16/38/606221638.db2.gz JBLRJEHEMPPXAB-UHFFFAOYSA-N -1 3 353.817 3.043 20 0 FGADHM CCC(CC)[C@@H](NC(=O)c1cc(-c2nnn[n-]2)cn1C)c1cccs1 ZINC000820892658 606234084 /nfs/dbraw/zinc/23/40/84/606234084.db2.gz DUTYIHJMIJLRLI-OAHLLOKOSA-N -1 3 358.471 3.174 20 0 FGADHM CCC(CC)[C@@H](NC(=O)c1cc(-c2nn[n-]n2)cn1C)c1cccs1 ZINC000820892658 606234086 /nfs/dbraw/zinc/23/40/86/606234086.db2.gz DUTYIHJMIJLRLI-OAHLLOKOSA-N -1 3 358.471 3.174 20 0 FGADHM C[C@@]1(CNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CCCC[C@@H]1O ZINC000820623281 606243017 /nfs/dbraw/zinc/24/30/17/606243017.db2.gz KQNRIVDJBVAFCC-ZFWWWQNUSA-N -1 3 355.364 3.239 20 0 FGADHM C[C@@]1(CNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CCCC[C@@H]1O ZINC000820623281 606243018 /nfs/dbraw/zinc/24/30/18/606243018.db2.gz KQNRIVDJBVAFCC-ZFWWWQNUSA-N -1 3 355.364 3.239 20 0 FGADHM Cc1ccc(Cl)cc1N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000822239723 606243978 /nfs/dbraw/zinc/24/39/78/606243978.db2.gz BFXQVFFYBNHEIX-OAHLLOKOSA-N -1 3 368.828 3.046 20 0 FGADHM Cc1ccc(Cl)cc1N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000822239723 606243979 /nfs/dbraw/zinc/24/39/79/606243979.db2.gz BFXQVFFYBNHEIX-OAHLLOKOSA-N -1 3 368.828 3.046 20 0 FGADHM Cc1cc(C)c(N[C@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)c(C)c1 ZINC000822194021 606245572 /nfs/dbraw/zinc/24/55/72/606245572.db2.gz FTVQMMNGCIMASJ-KRWDZBQOSA-N -1 3 362.437 3.009 20 0 FGADHM Cc1cc(C)c(N[C@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)c(C)c1 ZINC000822194021 606245573 /nfs/dbraw/zinc/24/55/73/606245573.db2.gz FTVQMMNGCIMASJ-KRWDZBQOSA-N -1 3 362.437 3.009 20 0 FGADHM C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(c1ccccc1)c1ccccc1 ZINC000820385126 606255187 /nfs/dbraw/zinc/25/51/87/606255187.db2.gz PLDZPVHXWGPYDF-CQSZACIVSA-N -1 3 372.432 3.145 20 0 FGADHM C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(c1ccccc1)c1ccccc1 ZINC000820385126 606255188 /nfs/dbraw/zinc/25/51/88/606255188.db2.gz PLDZPVHXWGPYDF-CQSZACIVSA-N -1 3 372.432 3.145 20 0 FGADHM Cc1cccc([C@@H](NC(=O)c2cc(-c3nnn[n-]3)cn2C)C(C)(C)C)c1 ZINC000822288764 606262215 /nfs/dbraw/zinc/26/22/15/606262215.db2.gz IVSRIFGPVFINJV-MRXNPFEDSA-N -1 3 352.442 3.031 20 0 FGADHM Cc1cccc([C@@H](NC(=O)c2cc(-c3nn[n-]n3)cn2C)C(C)(C)C)c1 ZINC000822288764 606262217 /nfs/dbraw/zinc/26/22/17/606262217.db2.gz IVSRIFGPVFINJV-MRXNPFEDSA-N -1 3 352.442 3.031 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)c1cc(F)c(Cl)nc1Cl ZINC000823344299 606265395 /nfs/dbraw/zinc/26/53/95/606265395.db2.gz UKKPUIIVXUOKCN-UHFFFAOYSA-N -1 3 371.134 3.099 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)c1cc(F)c(Cl)nc1Cl ZINC000823344299 606265396 /nfs/dbraw/zinc/26/53/96/606265396.db2.gz UKKPUIIVXUOKCN-UHFFFAOYSA-N -1 3 371.134 3.099 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)[C@H]1C[C@H]1c1cccc(F)c1F ZINC000823343802 606269035 /nfs/dbraw/zinc/26/90/35/606269035.db2.gz HPZVCZXTVSWXJM-QWRGUYRKSA-N -1 3 359.311 3.026 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)[C@H]1C[C@H]1c1cccc(F)c1F ZINC000823343802 606269037 /nfs/dbraw/zinc/26/90/37/606269037.db2.gz HPZVCZXTVSWXJM-QWRGUYRKSA-N -1 3 359.311 3.026 20 0 FGADHM CC(C)Sc1ccc([C@H](C)NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)cc1 ZINC000820183931 606269428 /nfs/dbraw/zinc/26/94/28/606269428.db2.gz NNNOGMNNSQTJJP-NSHDSACASA-N -1 3 356.455 3.186 20 0 FGADHM CC(C)Sc1ccc([C@H](C)NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)cc1 ZINC000820183931 606269430 /nfs/dbraw/zinc/26/94/30/606269430.db2.gz NNNOGMNNSQTJJP-NSHDSACASA-N -1 3 356.455 3.186 20 0 FGADHM CC(C)c1cc(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)nn1C(C)(C)C ZINC000820187908 606271885 /nfs/dbraw/zinc/27/18/85/606271885.db2.gz YJLWVIZICHEQNI-UHFFFAOYSA-N -1 3 371.420 3.333 20 0 FGADHM CC(C)c1cc(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)nn1C(C)(C)C ZINC000820187908 606271887 /nfs/dbraw/zinc/27/18/87/606271887.db2.gz YJLWVIZICHEQNI-UHFFFAOYSA-N -1 3 371.420 3.333 20 0 FGADHM CC(C)Cc1ccc(CC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000820108561 606272029 /nfs/dbraw/zinc/27/20/29/606272029.db2.gz MZFNSDSRYAPZAC-UHFFFAOYSA-N -1 3 353.401 3.386 20 0 FGADHM CC(C)Cc1ccc(CC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000820108561 606272031 /nfs/dbraw/zinc/27/20/31/606272031.db2.gz MZFNSDSRYAPZAC-UHFFFAOYSA-N -1 3 353.401 3.386 20 0 FGADHM O=C(Nc1nc(C=Cc2ccccc2)cs1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823380498 606277758 /nfs/dbraw/zinc/27/77/58/606277758.db2.gz ZLHVIZXKLZTAGM-SREVYHEPSA-N -1 3 363.406 3.074 20 0 FGADHM O=C(Nc1nc(C=Cc2ccccc2)cs1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823380498 606277760 /nfs/dbraw/zinc/27/77/60/606277760.db2.gz ZLHVIZXKLZTAGM-SREVYHEPSA-N -1 3 363.406 3.074 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(C)cc(F)c1 ZINC000821123213 606282178 /nfs/dbraw/zinc/28/21/78/606282178.db2.gz MYMAKTIXWKBEPM-UHFFFAOYSA-N -1 3 354.389 3.388 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1scnc1Cl ZINC000821127572 606282236 /nfs/dbraw/zinc/28/22/36/606282236.db2.gz JNVCGFNXKUVNLI-UHFFFAOYSA-N -1 3 363.834 3.051 20 0 FGADHM Cc1c(CSC(C)C)cccc1NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000822034469 606284481 /nfs/dbraw/zinc/28/44/81/606284481.db2.gz DYYCROHRMDWFPC-UHFFFAOYSA-N -1 3 356.455 3.397 20 0 FGADHM Cc1c(CSC(C)C)cccc1NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000822034469 606284482 /nfs/dbraw/zinc/28/44/82/606284482.db2.gz DYYCROHRMDWFPC-UHFFFAOYSA-N -1 3 356.455 3.397 20 0 FGADHM CS/C=C/C(=O)Nc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000821955829 606310406 /nfs/dbraw/zinc/31/04/06/606310406.db2.gz CCOIETNQSDCLLJ-CMDGGOBGSA-N -1 3 367.434 3.261 20 0 FGADHM CS/C=C/C(=O)Nc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000821955829 606310408 /nfs/dbraw/zinc/31/04/08/606310408.db2.gz CCOIETNQSDCLLJ-CMDGGOBGSA-N -1 3 367.434 3.261 20 0 FGADHM C[C@H](NC(=O)N1[C@H](C)C[C@H]2CCCC[C@@H]21)c1ccc(-c2nnn[n-]2)cc1 ZINC000820340208 606342137 /nfs/dbraw/zinc/34/21/37/606342137.db2.gz IKQASHLPWQOENW-GFOFROLCSA-N -1 3 354.458 3.290 20 0 FGADHM C[C@H](NC(=O)N1[C@H](C)C[C@H]2CCCC[C@@H]21)c1ccc(-c2nn[n-]n2)cc1 ZINC000820340208 606342138 /nfs/dbraw/zinc/34/21/38/606342138.db2.gz IKQASHLPWQOENW-GFOFROLCSA-N -1 3 354.458 3.290 20 0 FGADHM Cc1c2ccccc2oc1CNC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000822027042 606345605 /nfs/dbraw/zinc/34/56/05/606345605.db2.gz CPURVDNXKNWTCF-UHFFFAOYSA-N -1 3 366.356 3.382 20 0 FGADHM Cc1c2ccccc2oc1CNC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000822027042 606345607 /nfs/dbraw/zinc/34/56/07/606345607.db2.gz CPURVDNXKNWTCF-UHFFFAOYSA-N -1 3 366.356 3.382 20 0 FGADHM C[C@H](OC(=O)Cc1ccccc1OC(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000820500384 606345738 /nfs/dbraw/zinc/34/57/38/606345738.db2.gz FBFUPWWMGFSARP-NSHDSACASA-N -1 3 374.347 3.315 20 0 FGADHM C[C@H](OC(=O)Cc1ccccc1OC(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000820500384 606345740 /nfs/dbraw/zinc/34/57/40/606345740.db2.gz FBFUPWWMGFSARP-NSHDSACASA-N -1 3 374.347 3.315 20 0 FGADHM C[C@@H](OC(=O)[C@H]1Cc2ccccc2S1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820486374 606352121 /nfs/dbraw/zinc/35/21/21/606352121.db2.gz ARYYBHBLDHVTLN-BDJLRTHQSA-N -1 3 352.419 3.188 20 0 FGADHM C[C@@H](OC(=O)[C@H]1Cc2ccccc2S1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820486374 606352123 /nfs/dbraw/zinc/35/21/23/606352123.db2.gz ARYYBHBLDHVTLN-BDJLRTHQSA-N -1 3 352.419 3.188 20 0 FGADHM C[C@H](OC(=O)[C@H]1Cc2ccccc2S1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820486378 606352153 /nfs/dbraw/zinc/35/21/53/606352153.db2.gz ARYYBHBLDHVTLN-MEDUHNTESA-N -1 3 352.419 3.188 20 0 FGADHM C[C@H](OC(=O)[C@H]1Cc2ccccc2S1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820486378 606352155 /nfs/dbraw/zinc/35/21/55/606352155.db2.gz ARYYBHBLDHVTLN-MEDUHNTESA-N -1 3 352.419 3.188 20 0 FGADHM C[C@@H](Oc1cccc(F)c1)C(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820533036 606352940 /nfs/dbraw/zinc/35/29/40/606352940.db2.gz BEBPLBAJHIWPFL-VXGBXAGGSA-N -1 3 356.357 3.078 20 0 FGADHM C[C@@H](Oc1cccc(F)c1)C(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820533036 606352941 /nfs/dbraw/zinc/35/29/41/606352941.db2.gz BEBPLBAJHIWPFL-VXGBXAGGSA-N -1 3 356.357 3.078 20 0 FGADHM CCOc1c(F)cccc1C(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821390206 606355371 /nfs/dbraw/zinc/35/53/71/606355371.db2.gz SZQPGSZFNCQEQH-LLVKDONJSA-N -1 3 356.357 3.323 20 0 FGADHM CCOc1c(F)cccc1C(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821390206 606355372 /nfs/dbraw/zinc/35/53/72/606355372.db2.gz SZQPGSZFNCQEQH-LLVKDONJSA-N -1 3 356.357 3.323 20 0 FGADHM CC[C@H]1CCc2ccccc2N1C(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000820989392 606373954 /nfs/dbraw/zinc/37/39/54/606373954.db2.gz RMUPNCIZUXFYSZ-INIZCTEOSA-N -1 3 363.421 3.004 20 0 FGADHM CC[C@H]1CCc2ccccc2N1C(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000820989392 606373955 /nfs/dbraw/zinc/37/39/55/606373955.db2.gz RMUPNCIZUXFYSZ-INIZCTEOSA-N -1 3 363.421 3.004 20 0 FGADHM C[C@@H]1CN(Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)[C@@H]1c1ccccc1 ZINC000820761274 606375287 /nfs/dbraw/zinc/37/52/87/606375287.db2.gz WQHNYZHRVQMCRR-ACJLOTCBSA-N -1 3 373.420 3.110 20 0 FGADHM C[C@@H]1CN(Cc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)[C@@H]1c1ccccc1 ZINC000820761274 606375288 /nfs/dbraw/zinc/37/52/88/606375288.db2.gz WQHNYZHRVQMCRR-ACJLOTCBSA-N -1 3 373.420 3.110 20 0 FGADHM CC[C@H](C)CN(CC)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000820870405 606382268 /nfs/dbraw/zinc/38/22/68/606382268.db2.gz SDGLKFIHFCYCQX-JTQLQIEISA-N -1 3 368.388 3.368 20 0 FGADHM CC[C@H](C)CN(CC)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000820870405 606382269 /nfs/dbraw/zinc/38/22/69/606382269.db2.gz SDGLKFIHFCYCQX-JTQLQIEISA-N -1 3 368.388 3.368 20 0 FGADHM CCS[C@H]1CCC[C@H](NC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000821456433 606382886 /nfs/dbraw/zinc/38/28/86/606382886.db2.gz PWBQHDKOGPAECC-JQWIXIFHSA-N -1 3 364.450 3.192 20 0 FGADHM CCS[C@H]1CCC[C@H](NC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000821456433 606382887 /nfs/dbraw/zinc/38/28/87/606382887.db2.gz PWBQHDKOGPAECC-JQWIXIFHSA-N -1 3 364.450 3.192 20 0 FGADHM COC[C@@H](C)OC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000821682427 606396708 /nfs/dbraw/zinc/39/67/08/606396708.db2.gz FDYMFNBPQIZHLF-GFCCVEGCSA-N -1 3 370.434 3.210 20 0 FGADHM COC[C@@H](C)OC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000821682427 606396709 /nfs/dbraw/zinc/39/67/09/606396709.db2.gz FDYMFNBPQIZHLF-GFCCVEGCSA-N -1 3 370.434 3.210 20 0 FGADHM Cc1ccc(C(=O)CCC(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822225117 606398655 /nfs/dbraw/zinc/39/86/55/606398655.db2.gz PAUUHOOGSBVFMV-CQSZACIVSA-N -1 3 364.405 3.442 20 0 FGADHM Cc1ccc(C(=O)CCC(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822225117 606398657 /nfs/dbraw/zinc/39/86/57/606398657.db2.gz PAUUHOOGSBVFMV-CQSZACIVSA-N -1 3 364.405 3.442 20 0 FGADHM Cc1cc([C@@H](C)NC(=S)Nc2ccccc2-c2nnn[n-]2)ccc1F ZINC000822192054 606417177 /nfs/dbraw/zinc/41/71/77/606417177.db2.gz XQOPBBRNIFKCSJ-LLVKDONJSA-N -1 3 356.430 3.362 20 0 FGADHM Cc1cc([C@@H](C)NC(=S)Nc2ccccc2-c2nn[n-]n2)ccc1F ZINC000822192054 606417179 /nfs/dbraw/zinc/41/71/79/606417179.db2.gz XQOPBBRNIFKCSJ-LLVKDONJSA-N -1 3 356.430 3.362 20 0 FGADHM CCC[C@H]1C[C@@H]1NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC000821034585 606441844 /nfs/dbraw/zinc/44/18/44/606441844.db2.gz PLCUANDZAMAAOT-IRXDYDNUSA-N -1 3 356.474 3.223 20 0 FGADHM CCC[C@H]1C[C@@H]1NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC000821034585 606441846 /nfs/dbraw/zinc/44/18/46/606441846.db2.gz PLCUANDZAMAAOT-IRXDYDNUSA-N -1 3 356.474 3.223 20 0 FGADHM Fc1ccc(-c2nnn[n-]2)cc1CNc1cccc(OC[C@H]2CCCO2)c1 ZINC000822761253 606445247 /nfs/dbraw/zinc/44/52/47/606445247.db2.gz DXZNWEMZVHAJSY-QGZVFWFLSA-N -1 3 369.400 3.176 20 0 FGADHM Fc1ccc(-c2nn[n-]n2)cc1CNc1cccc(OC[C@H]2CCCO2)c1 ZINC000822761253 606445248 /nfs/dbraw/zinc/44/52/48/606445248.db2.gz DXZNWEMZVHAJSY-QGZVFWFLSA-N -1 3 369.400 3.176 20 0 FGADHM COCCOc1c(Cl)cccc1NCc1cccc(-c2nnn[n-]2)c1 ZINC000821692864 606451922 /nfs/dbraw/zinc/45/19/22/606451922.db2.gz GLUIPMIIFPGWFI-UHFFFAOYSA-N -1 3 359.817 3.157 20 0 FGADHM COCCOc1c(Cl)cccc1NCc1cccc(-c2nn[n-]n2)c1 ZINC000821692864 606451923 /nfs/dbraw/zinc/45/19/23/606451923.db2.gz GLUIPMIIFPGWFI-UHFFFAOYSA-N -1 3 359.817 3.157 20 0 FGADHM C[C@H](NC(=S)Nc1ccccc1-c1nnn[n-]1)c1ccc(F)cc1F ZINC000822000742 606470519 /nfs/dbraw/zinc/47/05/19/606470519.db2.gz XPRGJORZTCZVEA-VIFPVBQESA-N -1 3 360.393 3.193 20 0 FGADHM C[C@H](NC(=S)Nc1ccccc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC000822000742 606470521 /nfs/dbraw/zinc/47/05/21/606470521.db2.gz XPRGJORZTCZVEA-VIFPVBQESA-N -1 3 360.393 3.193 20 0 FGADHM CCCCOC(=O)c1ccc(NC(=O)c2cc(-c3nnn[n-]3)cs2)cc1 ZINC000821071936 606476815 /nfs/dbraw/zinc/47/68/15/606476815.db2.gz NZNKSBLNHIOKPO-UHFFFAOYSA-N -1 3 371.422 3.137 20 0 FGADHM CCCCOC(=O)c1ccc(NC(=O)c2cc(-c3nn[n-]n3)cs2)cc1 ZINC000821071936 606476817 /nfs/dbraw/zinc/47/68/17/606476817.db2.gz NZNKSBLNHIOKPO-UHFFFAOYSA-N -1 3 371.422 3.137 20 0 FGADHM c1ccc2c(c1)CCS[C@@H]2CNc1nc2c(cc1-c1nnn[n-]1)CCC2 ZINC000823796967 606478399 /nfs/dbraw/zinc/47/83/99/606478399.db2.gz JDGNMEKFUUWYBD-QGZVFWFLSA-N -1 3 364.478 3.193 20 0 FGADHM c1ccc2c(c1)CCS[C@@H]2CNc1nc2c(cc1-c1nn[n-]n1)CCC2 ZINC000823796967 606478400 /nfs/dbraw/zinc/47/84/00/606478400.db2.gz JDGNMEKFUUWYBD-QGZVFWFLSA-N -1 3 364.478 3.193 20 0 FGADHM O=C(N[C@@H](c1ccc(Cl)cc1)C1CC1)c1cc(-c2nnn[n-]2)cs1 ZINC000823140566 606484538 /nfs/dbraw/zinc/48/45/38/606484538.db2.gz WSXHQBWLTXNHPI-CQSZACIVSA-N -1 3 359.842 3.463 20 0 FGADHM O=C(N[C@@H](c1ccc(Cl)cc1)C1CC1)c1cc(-c2nn[n-]n2)cs1 ZINC000823140566 606484541 /nfs/dbraw/zinc/48/45/41/606484541.db2.gz WSXHQBWLTXNHPI-CQSZACIVSA-N -1 3 359.842 3.463 20 0 FGADHM O=C(NC[C@H]1SCCc2ccccc21)Nc1cccc(-c2nnn[n-]2)c1 ZINC000823181544 606486233 /nfs/dbraw/zinc/48/62/33/606486233.db2.gz ASLLMMAMJXBGJP-MRXNPFEDSA-N -1 3 366.450 3.019 20 0 FGADHM O=C(NC[C@H]1SCCc2ccccc21)Nc1cccc(-c2nn[n-]n2)c1 ZINC000823181544 606486234 /nfs/dbraw/zinc/48/62/34/606486234.db2.gz ASLLMMAMJXBGJP-MRXNPFEDSA-N -1 3 366.450 3.019 20 0 FGADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)C1(Cc2ccccc2)CC1 ZINC000823332470 606486388 /nfs/dbraw/zinc/48/63/88/606486388.db2.gz NPWPRRYJSYGIAY-UHFFFAOYSA-N -1 3 353.813 3.482 20 0 FGADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)C1(Cc2ccccc2)CC1 ZINC000823332470 606486390 /nfs/dbraw/zinc/48/63/90/606486390.db2.gz NPWPRRYJSYGIAY-UHFFFAOYSA-N -1 3 353.813 3.482 20 0 FGADHM Cc1nc(-c2ccc(NC(=O)c3cc(-c4nnn[n-]4)cs3)cc2)co1 ZINC000822418792 606489553 /nfs/dbraw/zinc/48/95/53/606489553.db2.gz GHTQRNWQNGRHNZ-UHFFFAOYSA-N -1 3 352.379 3.144 20 0 FGADHM Cc1nc(-c2ccc(NC(=O)c3cc(-c4nn[n-]n4)cs3)cc2)co1 ZINC000822418792 606489554 /nfs/dbraw/zinc/48/95/54/606489554.db2.gz GHTQRNWQNGRHNZ-UHFFFAOYSA-N -1 3 352.379 3.144 20 0 FGADHM O=C(NCc1cccc(Cl)c1Cl)c1cc(-c2nnn[n-]2)cs1 ZINC000823257399 606491360 /nfs/dbraw/zinc/49/13/60/606491360.db2.gz LJYAXALVVOOAPZ-UHFFFAOYSA-N -1 3 354.222 3.165 20 0 FGADHM O=C(NCc1cccc(Cl)c1Cl)c1cc(-c2nn[n-]n2)cs1 ZINC000823257399 606491361 /nfs/dbraw/zinc/49/13/61/606491361.db2.gz LJYAXALVVOOAPZ-UHFFFAOYSA-N -1 3 354.222 3.165 20 0 FGADHM Cc1nc(-c2cccc(NC(=O)c3cc(-c4nnn[n-]4)cs3)c2)oc1C ZINC000822420054 606496124 /nfs/dbraw/zinc/49/61/24/606496124.db2.gz ZJLWHILYDGPTAA-UHFFFAOYSA-N -1 3 366.406 3.452 20 0 FGADHM Cc1nc(-c2cccc(NC(=O)c3cc(-c4nn[n-]n4)cs3)c2)oc1C ZINC000822420054 606496126 /nfs/dbraw/zinc/49/61/26/606496126.db2.gz ZJLWHILYDGPTAA-UHFFFAOYSA-N -1 3 366.406 3.452 20 0 FGADHM Cc1c(CNC(=O)c2cc(-c3nnn[n-]3)cs2)oc2ccc(F)cc12 ZINC000822029099 606498768 /nfs/dbraw/zinc/49/87/68/606498768.db2.gz VQABLVHCFRCHFA-UHFFFAOYSA-N -1 3 357.370 3.052 20 0 FGADHM Cc1c(CNC(=O)c2cc(-c3nn[n-]n3)cs2)oc2ccc(F)cc12 ZINC000822029099 606498770 /nfs/dbraw/zinc/49/87/70/606498770.db2.gz VQABLVHCFRCHFA-UHFFFAOYSA-N -1 3 357.370 3.052 20 0 FGADHM Cc1csc([C@H]2CCCCN2C(=O)c2cc(-c3nnn[n-]3)cs2)n1 ZINC000822409328 606506674 /nfs/dbraw/zinc/50/66/74/606506674.db2.gz QADFPUAAMVKQSG-LLVKDONJSA-N -1 3 360.468 3.061 20 0 FGADHM Cc1csc([C@H]2CCCCN2C(=O)c2cc(-c3nn[n-]n3)cs2)n1 ZINC000822409328 606506676 /nfs/dbraw/zinc/50/66/76/606506676.db2.gz QADFPUAAMVKQSG-LLVKDONJSA-N -1 3 360.468 3.061 20 0 FGADHM CC(C)Oc1cccc([C@H](C)NC(=O)Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC000820178329 606511010 /nfs/dbraw/zinc/51/10/10/606511010.db2.gz NCPXQAXCUYMZFB-AWEZNQCLSA-N -1 3 365.437 3.074 20 0 FGADHM CC(C)Oc1cccc([C@H](C)NC(=O)Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC000820178329 606511011 /nfs/dbraw/zinc/51/10/11/606511011.db2.gz NCPXQAXCUYMZFB-AWEZNQCLSA-N -1 3 365.437 3.074 20 0 FGADHM CC(C)(C)c1cccc(OCCNC(=O)c2cc(-c3nnn[n-]3)cs2)c1 ZINC000819959066 606511749 /nfs/dbraw/zinc/51/17/49/606511749.db2.gz XCYIIIODPCFEII-UHFFFAOYSA-N -1 3 371.466 3.035 20 0 FGADHM CC(C)(C)c1cccc(OCCNC(=O)c2cc(-c3nn[n-]n3)cs2)c1 ZINC000819959066 606511751 /nfs/dbraw/zinc/51/17/51/606511751.db2.gz XCYIIIODPCFEII-UHFFFAOYSA-N -1 3 371.466 3.035 20 0 FGADHM CCOc1ccc(NC(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1Cl ZINC000821421864 606513014 /nfs/dbraw/zinc/51/30/14/606513014.db2.gz HGWJGHXGJBVMJX-UHFFFAOYSA-N -1 3 357.801 3.100 20 0 FGADHM CCOc1ccc(NC(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1Cl ZINC000821421864 606513016 /nfs/dbraw/zinc/51/30/16/606513016.db2.gz HGWJGHXGJBVMJX-UHFFFAOYSA-N -1 3 357.801 3.100 20 0 FGADHM C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820291986 606513972 /nfs/dbraw/zinc/51/39/72/606513972.db2.gz BQJITBYECDTEBZ-JTQLQIEISA-N -1 3 361.858 3.285 20 0 FGADHM C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820291986 606513973 /nfs/dbraw/zinc/51/39/73/606513973.db2.gz BQJITBYECDTEBZ-JTQLQIEISA-N -1 3 361.858 3.285 20 0 FGADHM CCCCOc1cccc(NC(=O)Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC000821077947 606531318 /nfs/dbraw/zinc/53/13/18/606531318.db2.gz YCZASRIVUZAIET-UHFFFAOYSA-N -1 3 351.410 3.227 20 0 FGADHM CCCCOc1cccc(NC(=O)Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC000821077947 606531320 /nfs/dbraw/zinc/53/13/20/606531320.db2.gz YCZASRIVUZAIET-UHFFFAOYSA-N -1 3 351.410 3.227 20 0 FGADHM CC(C)(C)c1ccc2c(c1)CCN2C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000819959088 606541869 /nfs/dbraw/zinc/54/18/69/606541869.db2.gz XTXNDWDPWQDIOC-UHFFFAOYSA-N -1 3 361.449 3.296 20 0 FGADHM CC(C)(C)c1ccc2c(c1)CCN2C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000819959088 606541871 /nfs/dbraw/zinc/54/18/71/606541871.db2.gz XTXNDWDPWQDIOC-UHFFFAOYSA-N -1 3 361.449 3.296 20 0 FGADHM CC(C)(C)SCC(=O)OCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000819950303 606556407 /nfs/dbraw/zinc/55/64/07/606556407.db2.gz IBYHXYSEMFMNLS-UHFFFAOYSA-N -1 3 372.397 3.043 20 0 FGADHM CC(C)(C)SCC(=O)OCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000819950303 606556408 /nfs/dbraw/zinc/55/64/08/606556408.db2.gz IBYHXYSEMFMNLS-UHFFFAOYSA-N -1 3 372.397 3.043 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1cccc(Oc2ccncc2)c1 ZINC000823108493 606559228 /nfs/dbraw/zinc/55/92/28/606559228.db2.gz OVZBCBCMZWISRL-UHFFFAOYSA-N -1 3 372.388 3.235 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1cccc(Oc2ccncc2)c1 ZINC000823108493 606559230 /nfs/dbraw/zinc/55/92/30/606559230.db2.gz OVZBCBCMZWISRL-UHFFFAOYSA-N -1 3 372.388 3.235 20 0 FGADHM C[C@H](C(=O)OCc1ccc(-c2nnn[n-]2)cc1OC(F)F)C1CCCC1 ZINC000819884766 606559938 /nfs/dbraw/zinc/55/99/38/606559938.db2.gz ZGTCUXJKAJPWJG-JTQLQIEISA-N -1 3 366.368 3.338 20 0 FGADHM C[C@H](C(=O)OCc1ccc(-c2nn[n-]n2)cc1OC(F)F)C1CCCC1 ZINC000819884766 606559941 /nfs/dbraw/zinc/55/99/41/606559941.db2.gz ZGTCUXJKAJPWJG-JTQLQIEISA-N -1 3 366.368 3.338 20 0 FGADHM C[C@@H](C(=O)OCc1ccc(-c2nnn[n-]2)cc1OC(F)F)C1CCCC1 ZINC000819884767 606560253 /nfs/dbraw/zinc/56/02/53/606560253.db2.gz ZGTCUXJKAJPWJG-SNVBAGLBSA-N -1 3 366.368 3.338 20 0 FGADHM C[C@@H](C(=O)OCc1ccc(-c2nn[n-]n2)cc1OC(F)F)C1CCCC1 ZINC000819884767 606560254 /nfs/dbraw/zinc/56/02/54/606560254.db2.gz ZGTCUXJKAJPWJG-SNVBAGLBSA-N -1 3 366.368 3.338 20 0 FGADHM Cc1cc(C(=O)COC(=O)c2cc(-c3nnn[n-]3)cs2)c(C)c(C)c1C ZINC000822168881 606563929 /nfs/dbraw/zinc/56/39/29/606563929.db2.gz UXAFBSHZJWPPOV-UHFFFAOYSA-N -1 3 370.434 3.202 20 0 FGADHM Cc1cc(C(=O)COC(=O)c2cc(-c3nn[n-]n3)cs2)c(C)c(C)c1C ZINC000822168881 606563931 /nfs/dbraw/zinc/56/39/31/606563931.db2.gz UXAFBSHZJWPPOV-UHFFFAOYSA-N -1 3 370.434 3.202 20 0 FGADHM O=C(OCc1csc(-c2ccoc2)n1)c1cc(-c2nnn[n-]2)cs1 ZINC000823440072 606568414 /nfs/dbraw/zinc/56/84/14/606568414.db2.gz BBSUNYCIIOOAAY-UHFFFAOYSA-N -1 3 359.392 3.002 20 0 FGADHM O=C(OCc1csc(-c2ccoc2)n1)c1cc(-c2nn[n-]n2)cs1 ZINC000823440072 606568415 /nfs/dbraw/zinc/56/84/15/606568415.db2.gz BBSUNYCIIOOAAY-UHFFFAOYSA-N -1 3 359.392 3.002 20 0 FGADHM O=C(OCCCOc1ccc(Cl)cc1)c1cc(-c2nnn[n-]2)cs1 ZINC000823401139 606569402 /nfs/dbraw/zinc/56/94/02/606569402.db2.gz QACQVSBHPMTXIZ-UHFFFAOYSA-N -1 3 364.814 3.208 20 0 FGADHM O=C(OCCCOc1ccc(Cl)cc1)c1cc(-c2nn[n-]n2)cs1 ZINC000823401139 606569404 /nfs/dbraw/zinc/56/94/04/606569404.db2.gz QACQVSBHPMTXIZ-UHFFFAOYSA-N -1 3 364.814 3.208 20 0 FGADHM CC(=Cc1ccc(F)cc1)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000819765985 606578449 /nfs/dbraw/zinc/57/84/49/606578449.db2.gz UAVALDYZMVESKF-XSNHNAGMSA-N -1 3 351.385 3.287 20 0 FGADHM CC(=Cc1ccc(F)cc1)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000819765985 606578450 /nfs/dbraw/zinc/57/84/50/606578450.db2.gz UAVALDYZMVESKF-XSNHNAGMSA-N -1 3 351.385 3.287 20 0 FGADHM Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)Cc2cccc(-c3nnn[n-]3)c2)o1 ZINC000822233058 606579398 /nfs/dbraw/zinc/57/93/98/606579398.db2.gz HKYFEUPAWSCKMU-CXAGYDPISA-N -1 3 365.437 3.310 20 0 FGADHM Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)Cc2cccc(-c3nn[n-]n3)c2)o1 ZINC000822233058 606579400 /nfs/dbraw/zinc/57/94/00/606579400.db2.gz HKYFEUPAWSCKMU-CXAGYDPISA-N -1 3 365.437 3.310 20 0 FGADHM CN(C)C(=O)Sc1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821577915 606588953 /nfs/dbraw/zinc/58/89/53/606588953.db2.gz DIADVLAQRCRPDK-UHFFFAOYSA-N -1 3 355.423 3.219 20 0 FGADHM Fc1ccc(F)c2c1CCN(c1cc(-c3nnn[n-]3)c3ccccc3n1)C2 ZINC000822774192 606592400 /nfs/dbraw/zinc/59/24/00/606592400.db2.gz GVUZIWWUEYPFOL-UHFFFAOYSA-N -1 3 364.359 3.256 20 0 FGADHM Fc1ccc(F)c2c1CCN(c1cc(-c3nn[n-]n3)c3ccccc3n1)C2 ZINC000822774192 606592402 /nfs/dbraw/zinc/59/24/02/606592402.db2.gz GVUZIWWUEYPFOL-UHFFFAOYSA-N -1 3 364.359 3.256 20 0 FGADHM CC(C)(C)CCCC(=O)NC1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000819906334 606592888 /nfs/dbraw/zinc/59/28/88/606592888.db2.gz FAAFSKQDHAXRAY-UHFFFAOYSA-N -1 3 370.501 3.168 20 0 FGADHM CC(C)(C)CCCC(=O)NC1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000819906334 606592889 /nfs/dbraw/zinc/59/28/89/606592889.db2.gz FAAFSKQDHAXRAY-UHFFFAOYSA-N -1 3 370.501 3.168 20 0 FGADHM CO[C@H](C)c1nc(CNc2ccc(Cl)cc2-c2nnn[n-]2)cs1 ZINC000821675609 606593742 /nfs/dbraw/zinc/59/37/42/606593742.db2.gz PJAKKDUNCHANGO-MRVPVSSYSA-N -1 3 350.835 3.296 20 0 FGADHM CO[C@H](C)c1nc(CNc2ccc(Cl)cc2-c2nn[n-]n2)cs1 ZINC000821675609 606593743 /nfs/dbraw/zinc/59/37/43/606593743.db2.gz PJAKKDUNCHANGO-MRVPVSSYSA-N -1 3 350.835 3.296 20 0 FGADHM O=C(N[C@@H](C1CCCCC1)C(F)(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000823140517 606605695 /nfs/dbraw/zinc/60/56/95/606605695.db2.gz VOWIFQGEIXQEIN-ZDUSSCGKSA-N -1 3 353.348 3.108 20 0 FGADHM O=C(N[C@@H](C1CCCCC1)C(F)(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000823140517 606605697 /nfs/dbraw/zinc/60/56/97/606605697.db2.gz VOWIFQGEIXQEIN-ZDUSSCGKSA-N -1 3 353.348 3.108 20 0 FGADHM O=C(Nc1cnccc1-c1cccc(F)c1)c1cc(-c2nnn[n-]2)cs1 ZINC000823375780 606607073 /nfs/dbraw/zinc/60/70/73/606607073.db2.gz JXOHJENIEICBCL-UHFFFAOYSA-N -1 3 366.381 3.382 20 0 FGADHM O=C(Nc1cnccc1-c1cccc(F)c1)c1cc(-c2nn[n-]n2)cs1 ZINC000823375780 606607075 /nfs/dbraw/zinc/60/70/75/606607075.db2.gz JXOHJENIEICBCL-UHFFFAOYSA-N -1 3 366.381 3.382 20 0 FGADHM CO[C@@H]1C[C@H](n2c(C)csc2=Nc2ccccc2-c2nnn[n-]2)C1(C)C ZINC000821677910 606611492 /nfs/dbraw/zinc/61/14/92/606611492.db2.gz GOAUAUNQYWJOHV-LSDHHAIUSA-N -1 3 370.482 3.257 20 0 FGADHM CO[C@@H]1C[C@H](n2c(C)csc2=Nc2ccccc2-c2nn[n-]n2)C1(C)C ZINC000821677910 606611494 /nfs/dbraw/zinc/61/14/94/606611494.db2.gz GOAUAUNQYWJOHV-LSDHHAIUSA-N -1 3 370.482 3.257 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N[C@@H](C1CCCCC1)C(F)(F)F ZINC000823308822 606613001 /nfs/dbraw/zinc/61/30/01/606613001.db2.gz KHHYAGXCPPGRNO-ZDUSSCGKSA-N -1 3 368.363 3.499 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N[C@@H](C1CCCCC1)C(F)(F)F ZINC000823308822 606613002 /nfs/dbraw/zinc/61/30/02/606613002.db2.gz KHHYAGXCPPGRNO-ZDUSSCGKSA-N -1 3 368.363 3.499 20 0 FGADHM Cc1cccnc1C(=O)Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822369673 606625429 /nfs/dbraw/zinc/62/54/29/606625429.db2.gz LHRVESXYSXVYIF-UHFFFAOYSA-N -1 3 357.373 3.456 20 0 FGADHM Cc1cccnc1C(=O)Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822369673 606625430 /nfs/dbraw/zinc/62/54/30/606625430.db2.gz LHRVESXYSXVYIF-UHFFFAOYSA-N -1 3 357.373 3.456 20 0 FGADHM CC1(C)CCC[C@@H]1NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820590315 606626416 /nfs/dbraw/zinc/62/64/16/606626416.db2.gz SAHJOXOJOQRMEE-LBPRGKRZSA-N -1 3 350.879 3.385 20 0 FGADHM CC1(C)CCC[C@@H]1NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820590315 606626418 /nfs/dbraw/zinc/62/64/18/606626418.db2.gz SAHJOXOJOQRMEE-LBPRGKRZSA-N -1 3 350.879 3.385 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)ccc1OCC(=O)c1cc(F)c(C)cc1F ZINC000821394868 606626936 /nfs/dbraw/zinc/62/69/36/606626936.db2.gz OXOIKEPAIZZCMQ-UHFFFAOYSA-N -1 3 374.347 3.114 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)ccc1OCC(=O)c1cc(F)c(C)cc1F ZINC000821394868 606626938 /nfs/dbraw/zinc/62/69/38/606626938.db2.gz OXOIKEPAIZZCMQ-UHFFFAOYSA-N -1 3 374.347 3.114 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H](C)c1ccc(Cl)s1 ZINC000821756569 606630426 /nfs/dbraw/zinc/63/04/26/606630426.db2.gz PQDRYQFYFCNCPS-MRVPVSSYSA-N -1 3 363.830 3.332 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H](C)c1ccc(Cl)s1 ZINC000821756569 606630428 /nfs/dbraw/zinc/63/04/28/606630428.db2.gz PQDRYQFYFCNCPS-MRVPVSSYSA-N -1 3 363.830 3.332 20 0 FGADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)cn1)c1cccc(OC(F)(F)F)c1 ZINC000820456470 606634381 /nfs/dbraw/zinc/63/43/81/606634381.db2.gz ULQAUZSOCITYTQ-SECBINFHSA-N -1 3 350.304 3.333 20 0 FGADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cn1)c1cccc(OC(F)(F)F)c1 ZINC000820456470 606634382 /nfs/dbraw/zinc/63/43/82/606634382.db2.gz ULQAUZSOCITYTQ-SECBINFHSA-N -1 3 350.304 3.333 20 0 FGADHM CC(C)[C@H](NCc1ccc(-c2nnn[n-]2)s1)c1nc2ccccc2[nH]1 ZINC000820026427 606639000 /nfs/dbraw/zinc/63/90/00/606639000.db2.gz KCTSCCMNYNWLHL-HNNXBMFYSA-N -1 3 353.455 3.291 20 0 FGADHM CCN(CC(=O)c1cc(C)n(C)c1C)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821169671 606646422 /nfs/dbraw/zinc/64/64/22/606646422.db2.gz AJNXFYSVKXRIQJ-CQSZACIVSA-N -1 3 366.469 3.088 20 0 FGADHM C[C@@H](NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1ccc(Cl)cc1 ZINC000820384401 606661812 /nfs/dbraw/zinc/66/18/12/606661812.db2.gz DFTJNMHFAFSEMK-MRVPVSSYSA-N -1 3 363.755 3.289 20 0 FGADHM C[C@@H](NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccc(Cl)cc1 ZINC000820384401 606661813 /nfs/dbraw/zinc/66/18/13/606661813.db2.gz DFTJNMHFAFSEMK-MRVPVSSYSA-N -1 3 363.755 3.289 20 0 FGADHM Cc1nc2ccc(NC(=O)c3c(F)cc(-c4nnn[n-]4)cc3F)cc2s1 ZINC000822458129 606662305 /nfs/dbraw/zinc/66/23/05/606662305.db2.gz CWYRMGVLTFGRPM-UHFFFAOYSA-N -1 3 372.360 3.315 20 0 FGADHM Cc1nc2ccc(NC(=O)c3c(F)cc(-c4nn[n-]n4)cc3F)cc2s1 ZINC000822458129 606662306 /nfs/dbraw/zinc/66/23/06/606662306.db2.gz CWYRMGVLTFGRPM-UHFFFAOYSA-N -1 3 372.360 3.315 20 0 FGADHM CC(C)C[C@H](C)OCCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000820054574 606664239 /nfs/dbraw/zinc/66/42/39/606664239.db2.gz BTJYXKQACCQHFK-NSHDSACASA-N -1 3 363.487 3.197 20 0 FGADHM CC(C)C[C@H](C)OCCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000820054574 606664240 /nfs/dbraw/zinc/66/42/40/606664240.db2.gz BTJYXKQACCQHFK-NSHDSACASA-N -1 3 363.487 3.197 20 0 FGADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCC2)[C@@H]1C[C@H]1Cc1ccccc1 ZINC000823382652 606665013 /nfs/dbraw/zinc/66/50/13/606665013.db2.gz BWQFMUZVFBFOGK-TZMCWYRMSA-N -1 3 365.462 3.234 20 0 FGADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCC2)[C@@H]1C[C@H]1Cc1ccccc1 ZINC000823382652 606665014 /nfs/dbraw/zinc/66/50/14/606665014.db2.gz BWQFMUZVFBFOGK-TZMCWYRMSA-N -1 3 365.462 3.234 20 0 FGADHM C[C@@H](NC(=O)CCCc1ccc(F)c(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820321542 606666863 /nfs/dbraw/zinc/66/68/63/606666863.db2.gz HZUGOJAKHBYUFO-GFCCVEGCSA-N -1 3 371.391 3.345 20 0 FGADHM C[C@@H](NC(=O)CCCc1ccc(F)c(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820321542 606666864 /nfs/dbraw/zinc/66/68/64/606666864.db2.gz HZUGOJAKHBYUFO-GFCCVEGCSA-N -1 3 371.391 3.345 20 0 FGADHM O=C([C@@H]1C[C@H]1Cc1ccccc1)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000822917279 606667252 /nfs/dbraw/zinc/66/72/52/606667252.db2.gz RLYGYXCTEDDPCR-UYAOXDASSA-N -1 3 373.460 3.237 20 0 FGADHM O=C([C@@H]1C[C@H]1Cc1ccccc1)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000822917279 606667253 /nfs/dbraw/zinc/66/72/53/606667253.db2.gz RLYGYXCTEDDPCR-UYAOXDASSA-N -1 3 373.460 3.237 20 0 FGADHM Cc1cccc2c1N(C(=O)c1c(F)cc(-c3nnn[n-]3)cc1F)CCC2 ZINC000822340717 606668990 /nfs/dbraw/zinc/66/89/90/606668990.db2.gz DMCVWOYUQHEKBO-UHFFFAOYSA-N -1 3 355.348 3.046 20 0 FGADHM Cc1cccc2c1N(C(=O)c1c(F)cc(-c3nn[n-]n3)cc1F)CCC2 ZINC000822340717 606668991 /nfs/dbraw/zinc/66/89/91/606668991.db2.gz DMCVWOYUQHEKBO-UHFFFAOYSA-N -1 3 355.348 3.046 20 0 FGADHM O=C(N[C@H](c1cccs1)C1CC1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823140381 606669008 /nfs/dbraw/zinc/66/90/08/606669008.db2.gz USXCGYDUJWIWRD-AWEZNQCLSA-N -1 3 361.377 3.088 20 0 FGADHM O=C(N[C@H](c1cccs1)C1CC1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823140381 606669009 /nfs/dbraw/zinc/66/90/09/606669009.db2.gz USXCGYDUJWIWRD-AWEZNQCLSA-N -1 3 361.377 3.088 20 0 FGADHM C[C@]1(NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)CCCc2ccccc21 ZINC000820623195 606675882 /nfs/dbraw/zinc/67/58/82/606675882.db2.gz HRHSGEMHXJWSBK-IBGZPJMESA-N -1 3 369.375 3.126 20 0 FGADHM C[C@]1(NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CCCc2ccccc21 ZINC000820623195 606675883 /nfs/dbraw/zinc/67/58/83/606675883.db2.gz HRHSGEMHXJWSBK-IBGZPJMESA-N -1 3 369.375 3.126 20 0 FGADHM Cc1cccc(Cl)c1NCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000822304389 606705597 /nfs/dbraw/zinc/70/55/97/606705597.db2.gz WONNCHVJSLNAKD-UHFFFAOYSA-N -1 3 367.800 3.491 20 0 FGADHM Cc1cccc(Cl)c1NCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000822304389 606705599 /nfs/dbraw/zinc/70/55/99/606705599.db2.gz WONNCHVJSLNAKD-UHFFFAOYSA-N -1 3 367.800 3.491 20 0 FGADHM Cc1cc(C)cc(CSC[C@H](O)COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822196579 606706702 /nfs/dbraw/zinc/70/67/02/606706702.db2.gz OGNMCPVDWZQGGF-QGZVFWFLSA-N -1 3 370.478 3.157 20 0 FGADHM C[C@H](COc1ccccc1)C(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820295119 606735576 /nfs/dbraw/zinc/73/55/76/606735576.db2.gz YPZAGLDWKIKPTJ-KGLIPLIRSA-N -1 3 352.394 3.186 20 0 FGADHM C[C@H](COc1ccccc1)C(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820295119 606735577 /nfs/dbraw/zinc/73/55/77/606735577.db2.gz YPZAGLDWKIKPTJ-KGLIPLIRSA-N -1 3 352.394 3.186 20 0 FGADHM CC(C)CC1CCN(C(=O)CSc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000820067470 606753193 /nfs/dbraw/zinc/75/31/93/606753193.db2.gz IVSFNMLNRCKILA-UHFFFAOYSA-N -1 3 359.499 3.244 20 0 FGADHM CC(C)CC1CCN(C(=O)CSc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000820067470 606753195 /nfs/dbraw/zinc/75/31/95/606753195.db2.gz IVSFNMLNRCKILA-UHFFFAOYSA-N -1 3 359.499 3.244 20 0 FGADHM C[C@H](OC1CCCCCC1)C(=O)OCc1ccc(-c2nnn[n-]2)cc1F ZINC000820518941 606763742 /nfs/dbraw/zinc/76/37/42/606763742.db2.gz OAYVZDFHFXAEMN-LBPRGKRZSA-N -1 3 362.405 3.177 20 0 FGADHM C[C@H](OC1CCCCCC1)C(=O)OCc1ccc(-c2nn[n-]n2)cc1F ZINC000820518941 606763743 /nfs/dbraw/zinc/76/37/43/606763743.db2.gz OAYVZDFHFXAEMN-LBPRGKRZSA-N -1 3 362.405 3.177 20 0 FGADHM CSc1cc(C)ccc1CNC(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000821977584 606765190 /nfs/dbraw/zinc/76/51/90/606765190.db2.gz IDFANEDXGQWDDQ-UHFFFAOYSA-N -1 3 370.507 3.384 20 0 FGADHM CSc1cc(C)ccc1CNC(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000821977584 606765192 /nfs/dbraw/zinc/76/51/92/606765192.db2.gz IDFANEDXGQWDDQ-UHFFFAOYSA-N -1 3 370.507 3.384 20 0 FGADHM CC[C@@H](OC1CCCCC1)C(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000820939769 606767721 /nfs/dbraw/zinc/76/77/21/606767721.db2.gz XYQTURHAKWDALC-MRXNPFEDSA-N -1 3 362.405 3.177 20 0 FGADHM CC[C@@H](OC1CCCCC1)C(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000820939769 606767723 /nfs/dbraw/zinc/76/77/23/606767723.db2.gz XYQTURHAKWDALC-MRXNPFEDSA-N -1 3 362.405 3.177 20 0 FGADHM COc1ccc(-c2cnc(COc3ccc(-c4nn[n-]n4)cc3C)o2)cc1 ZINC000821731903 606769567 /nfs/dbraw/zinc/76/95/67/606769567.db2.gz IKGMKDAQUGRQAA-UHFFFAOYSA-N -1 3 363.377 3.418 20 0 FGADHM O=C(c1cccc(-c2nnn[n-]2)c1)N1CCC(=Cc2ccccc2F)CC1 ZINC000823488924 606813674 /nfs/dbraw/zinc/81/36/74/606813674.db2.gz YUKFATRXESZJDA-UHFFFAOYSA-N -1 3 363.396 3.325 20 0 FGADHM O=C(c1cccc(-c2nn[n-]n2)c1)N1CCC(=Cc2ccccc2F)CC1 ZINC000823488924 606813676 /nfs/dbraw/zinc/81/36/76/606813676.db2.gz YUKFATRXESZJDA-UHFFFAOYSA-N -1 3 363.396 3.325 20 0 FGADHM c1ccc2c(c1)ncnc2SCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000823762025 606836833 /nfs/dbraw/zinc/83/68/33/606836833.db2.gz FGVIKZAOGPRXPD-UHFFFAOYSA-N -1 3 364.434 3.371 20 0 FGADHM c1ccc2c(c1)ncnc2SCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000823762025 606836834 /nfs/dbraw/zinc/83/68/34/606836834.db2.gz FGVIKZAOGPRXPD-UHFFFAOYSA-N -1 3 364.434 3.371 20 0 FGADHM CC(=O)c1ccc(Br)cc1OCc1ccc(-c2nnn[n-]2)cc1 ZINC000819834022 606849327 /nfs/dbraw/zinc/84/93/27/606849327.db2.gz LAEXCJYCIZTITG-UHFFFAOYSA-N -1 3 373.210 3.411 20 0 FGADHM CC(=O)c1ccc(Br)cc1OCc1ccc(-c2nn[n-]n2)cc1 ZINC000819834022 606849329 /nfs/dbraw/zinc/84/93/29/606849329.db2.gz LAEXCJYCIZTITG-UHFFFAOYSA-N -1 3 373.210 3.411 20 0 FGADHM COc1ccc(NCCCOc2cccc(-c3nnn[n-]3)c2)cc1Cl ZINC000821835944 606862210 /nfs/dbraw/zinc/86/22/10/606862210.db2.gz UOLHJVXSDKISCB-UHFFFAOYSA-N -1 3 359.817 3.410 20 0 FGADHM COc1ccc(NCCCOc2cccc(-c3nn[n-]n3)c2)cc1Cl ZINC000821835944 606862212 /nfs/dbraw/zinc/86/22/12/606862212.db2.gz UOLHJVXSDKISCB-UHFFFAOYSA-N -1 3 359.817 3.410 20 0 FGADHM C[C@@H](OC(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1)c1cccnc1 ZINC000820513254 606891571 /nfs/dbraw/zinc/89/15/71/606891571.db2.gz YIHVJIRBVBCUNX-SECBINFHSA-N -1 3 363.299 3.199 20 0 FGADHM C[C@@H](OC(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1)c1cccnc1 ZINC000820513254 606891573 /nfs/dbraw/zinc/89/15/73/606891573.db2.gz YIHVJIRBVBCUNX-SECBINFHSA-N -1 3 363.299 3.199 20 0 FGADHM CC(C)[C@@H](C)OC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000820015290 606925930 /nfs/dbraw/zinc/92/59/30/606925930.db2.gz CVDHWKWOMREPDW-GFCCVEGCSA-N -1 3 356.382 3.240 20 0 FGADHM CC(C)[C@@H](C)OC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000820015290 606925931 /nfs/dbraw/zinc/92/59/31/606925931.db2.gz CVDHWKWOMREPDW-GFCCVEGCSA-N -1 3 356.382 3.240 20 0 FGADHM CCc1nc2c(s1)[C@@H](N(C)C(=O)c1ccc(-c3nnn[n-]3)cc1)CCC2 ZINC000821510138 606938516 /nfs/dbraw/zinc/93/85/16/606938516.db2.gz XPFQXAXDHPURPM-AWEZNQCLSA-N -1 3 368.466 3.035 20 0 FGADHM CCc1nc2c(s1)[C@@H](N(C)C(=O)c1ccc(-c3nn[n-]n3)cc1)CCC2 ZINC000821510138 606938517 /nfs/dbraw/zinc/93/85/17/606938517.db2.gz XPFQXAXDHPURPM-AWEZNQCLSA-N -1 3 368.466 3.035 20 0 FGADHM FC(F)(F)c1ccc(N2CCC[C@@]3(CCCOC3)C2)c(-c2nnn[n-]2)c1 ZINC000822724085 606942063 /nfs/dbraw/zinc/94/20/63/606942063.db2.gz YQNTYWXCAVQZTN-MRXNPFEDSA-N -1 3 367.375 3.283 20 0 FGADHM FC(F)(F)c1ccc(N2CCC[C@@]3(CCCOC3)C2)c(-c2nn[n-]n2)c1 ZINC000822724085 606942064 /nfs/dbraw/zinc/94/20/64/606942064.db2.gz YQNTYWXCAVQZTN-MRXNPFEDSA-N -1 3 367.375 3.283 20 0 FGADHM FC(F)(F)c1ccc(N2CCC[C@]3(CCCOC3)C2)c(-c2nnn[n-]2)c1 ZINC000822724084 606942247 /nfs/dbraw/zinc/94/22/47/606942247.db2.gz YQNTYWXCAVQZTN-INIZCTEOSA-N -1 3 367.375 3.283 20 0 FGADHM FC(F)(F)c1ccc(N2CCC[C@]3(CCCOC3)C2)c(-c2nn[n-]n2)c1 ZINC000822724084 606942249 /nfs/dbraw/zinc/94/22/49/606942249.db2.gz YQNTYWXCAVQZTN-INIZCTEOSA-N -1 3 367.375 3.283 20 0 FGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)c1cccc(Cl)c1F ZINC000819976545 606956864 /nfs/dbraw/zinc/95/68/64/606956864.db2.gz WNSIAEBSZJOVRD-UHFFFAOYSA-N -1 3 362.796 3.468 20 0 FGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)c1cccc(Cl)c1F ZINC000819976545 606956865 /nfs/dbraw/zinc/95/68/65/606956865.db2.gz WNSIAEBSZJOVRD-UHFFFAOYSA-N -1 3 362.796 3.468 20 0 FGADHM C[C@@H]1CCCC[C@H]1OCC(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000820703956 606961998 /nfs/dbraw/zinc/96/19/98/606961998.db2.gz KRMMZUYRHPVOTK-IAQYHMDHSA-N -1 3 363.849 3.078 20 0 FGADHM C[C@@H]1CCCC[C@H]1OCC(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000820703956 606962000 /nfs/dbraw/zinc/96/20/00/606962000.db2.gz KRMMZUYRHPVOTK-IAQYHMDHSA-N -1 3 363.849 3.078 20 0 FGADHM CC(C)c1ccc(OCC(=O)N(C)c2ccccc2-c2nnn[n-]2)cc1 ZINC000820192458 606970300 /nfs/dbraw/zinc/97/03/00/606970300.db2.gz OQCFHUCUEIUSRY-UHFFFAOYSA-N -1 3 351.410 3.032 20 0 FGADHM CC(C)c1ccc(OCC(=O)N(C)c2ccccc2-c2nn[n-]n2)cc1 ZINC000820192458 606970302 /nfs/dbraw/zinc/97/03/02/606970302.db2.gz OQCFHUCUEIUSRY-UHFFFAOYSA-N -1 3 351.410 3.032 20 0 FGADHM Cc1cc(-c2noc(CSc3ccc(-c4nnn[n-]4)cn3)n2)ccc1F ZINC000822154287 606981092 /nfs/dbraw/zinc/98/10/92/606981092.db2.gz UYJLTESUIHTDBG-UHFFFAOYSA-N -1 3 369.385 3.052 20 0 FGADHM Cc1cc(-c2noc(CSc3ccc(-c4nn[n-]n4)cn3)n2)ccc1F ZINC000822154287 606981094 /nfs/dbraw/zinc/98/10/94/606981094.db2.gz UYJLTESUIHTDBG-UHFFFAOYSA-N -1 3 369.385 3.052 20 0 FGADHM Cc1coc(-c2cccc(NC(=O)C=Cc3ccccc3-c3nnn[n-]3)c2)n1 ZINC000822402787 606989304 /nfs/dbraw/zinc/98/93/04/606989304.db2.gz GQZAZTHXSVYLHU-MDZDMXLPSA-N -1 3 372.388 3.482 20 0 FGADHM Cc1coc(-c2cccc(NC(=O)C=Cc3ccccc3-c3nn[n-]n3)c2)n1 ZINC000822402787 606989306 /nfs/dbraw/zinc/98/93/06/606989306.db2.gz GQZAZTHXSVYLHU-MDZDMXLPSA-N -1 3 372.388 3.482 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(C(F)(F)F)cc1 ZINC000823426875 606991622 /nfs/dbraw/zinc/99/16/22/606991622.db2.gz PNTPBIIXTIISPA-UHFFFAOYSA-N -1 3 366.274 3.382 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(C(F)(F)F)cc1 ZINC000823426875 606991623 /nfs/dbraw/zinc/99/16/23/606991623.db2.gz PNTPBIIXTIISPA-UHFFFAOYSA-N -1 3 366.274 3.382 20 0 FGADHM COc1ccccc1[C@@H](C)CC(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000821882790 606998574 /nfs/dbraw/zinc/99/85/74/606998574.db2.gz KUQFWFHMUDHXBW-LBPRGKRZSA-N -1 3 370.384 3.251 20 0 FGADHM COc1ccccc1[C@@H](C)CC(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821882790 606998575 /nfs/dbraw/zinc/99/85/75/606998575.db2.gz KUQFWFHMUDHXBW-LBPRGKRZSA-N -1 3 370.384 3.251 20 0 FGADHM COc1cccc([C@@H](C)CC(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000821860043 607003882 /nfs/dbraw/zinc/00/38/82/607003882.db2.gz WTDUQOBNOKBKPP-LBPRGKRZSA-N -1 3 370.384 3.251 20 0 FGADHM COc1cccc([C@@H](C)CC(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000821860043 607003883 /nfs/dbraw/zinc/00/38/83/607003883.db2.gz WTDUQOBNOKBKPP-LBPRGKRZSA-N -1 3 370.384 3.251 20 0 FGADHM CCCC[C@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1cc(C)on1 ZINC000821043046 607011729 /nfs/dbraw/zinc/01/17/29/607011729.db2.gz LEJJDFMVAQVNKC-AWEZNQCLSA-N -1 3 372.454 3.453 20 0 FGADHM CCCC[C@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1cc(C)on1 ZINC000821043046 607011730 /nfs/dbraw/zinc/01/17/30/607011730.db2.gz LEJJDFMVAQVNKC-AWEZNQCLSA-N -1 3 372.454 3.453 20 0 FGADHM COc1ccc(C(=O)[C@H](C)Sc2cccc(-c3nnn[n-]3)c2)c(OC)c1 ZINC000821769984 607012264 /nfs/dbraw/zinc/01/22/64/607012264.db2.gz MMMSWRDKTKUGGR-NSHDSACASA-N -1 3 370.434 3.247 20 0 FGADHM COc1ccc(C(=O)[C@H](C)Sc2cccc(-c3nn[n-]n3)c2)c(OC)c1 ZINC000821769984 607012266 /nfs/dbraw/zinc/01/22/66/607012266.db2.gz MMMSWRDKTKUGGR-NSHDSACASA-N -1 3 370.434 3.247 20 0 FGADHM Cc1c([C@H](C)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)nnn1-c1ccccc1 ZINC000822020821 607015994 /nfs/dbraw/zinc/01/59/94/607015994.db2.gz KHVACAFANIMLPV-KGLIPLIRSA-N -1 3 374.452 3.168 20 0 FGADHM Cc1ccccc1Cc1noc(CSc2cccc(-c3nnn[n-]3)c2)n1 ZINC000822362194 607017335 /nfs/dbraw/zinc/01/73/35/607017335.db2.gz NVCNERFHPRCLJR-UHFFFAOYSA-N -1 3 364.434 3.441 20 0 FGADHM Cc1ccccc1Cc1noc(CSc2cccc(-c3nn[n-]n3)c2)n1 ZINC000822362194 607017336 /nfs/dbraw/zinc/01/73/36/607017336.db2.gz NVCNERFHPRCLJR-UHFFFAOYSA-N -1 3 364.434 3.441 20 0 FGADHM Cc1cn(CC(=O)c2cc(C)n(Cc3ccccc3)c2C)cc1-c1nnn[n-]1 ZINC000822384932 607022584 /nfs/dbraw/zinc/02/25/84/607022584.db2.gz VNLYONRKTCWVNR-UHFFFAOYSA-N -1 3 374.448 3.326 20 0 FGADHM Cc1cn(CC(=O)c2cc(C)n(Cc3ccccc3)c2C)cc1-c1nn[n-]n1 ZINC000822384932 607022586 /nfs/dbraw/zinc/02/25/86/607022586.db2.gz VNLYONRKTCWVNR-UHFFFAOYSA-N -1 3 374.448 3.326 20 0 FGADHM CCc1noc(C)c1COc1ccc(Br)cc1-c1nnn[n-]1 ZINC000821553803 607031363 /nfs/dbraw/zinc/03/13/63/607031363.db2.gz KFLLJCIWVKPGEH-UHFFFAOYSA-N -1 3 364.203 3.067 20 0 FGADHM CCc1noc(C)c1COc1ccc(Br)cc1-c1nn[n-]n1 ZINC000821553803 607031365 /nfs/dbraw/zinc/03/13/65/607031365.db2.gz KFLLJCIWVKPGEH-UHFFFAOYSA-N -1 3 364.203 3.067 20 0 FGADHM COC(=O)c1ccc(CSCc2cc(F)ccc2-c2nnn[n-]2)cc1 ZINC000821669563 607033102 /nfs/dbraw/zinc/03/31/02/607033102.db2.gz RRYYDVIAQSVKAD-UHFFFAOYSA-N -1 3 358.398 3.226 20 0 FGADHM COC(=O)c1ccc(CSCc2cc(F)ccc2-c2nn[n-]n2)cc1 ZINC000821669563 607033105 /nfs/dbraw/zinc/03/31/05/607033105.db2.gz RRYYDVIAQSVKAD-UHFFFAOYSA-N -1 3 358.398 3.226 20 0 FGADHM COc1ccc(COCCSCc2cc(F)ccc2-c2nnn[n-]2)cc1 ZINC000821825331 607034953 /nfs/dbraw/zinc/03/49/53/607034953.db2.gz WYQBUBXGTICENL-UHFFFAOYSA-N -1 3 374.441 3.464 20 0 FGADHM COc1ccc(COCCSCc2cc(F)ccc2-c2nn[n-]n2)cc1 ZINC000821825331 607034955 /nfs/dbraw/zinc/03/49/55/607034955.db2.gz WYQBUBXGTICENL-UHFFFAOYSA-N -1 3 374.441 3.464 20 0 FGADHM CCC(CC)CC(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000820892496 607036304 /nfs/dbraw/zinc/03/63/04/607036304.db2.gz AEPKUGUTMNNZOQ-UHFFFAOYSA-N -1 3 357.458 3.063 20 0 FGADHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2N1CCC(C(F)F)CC1 ZINC000822204713 607040295 /nfs/dbraw/zinc/04/02/95/607040295.db2.gz YHYLGCDNVYCSNA-UHFFFAOYSA-N -1 3 362.359 3.344 20 0 FGADHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2N1CCC(C(F)F)CC1 ZINC000822204713 607040296 /nfs/dbraw/zinc/04/02/96/607040296.db2.gz YHYLGCDNVYCSNA-UHFFFAOYSA-N -1 3 362.359 3.344 20 0 FGADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000822332627 607048018 /nfs/dbraw/zinc/04/80/18/607048018.db2.gz QGRWILJAQQPYMT-SUMWQHHRSA-N -1 3 374.452 3.007 20 0 FGADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000822332627 607048019 /nfs/dbraw/zinc/04/80/19/607048019.db2.gz QGRWILJAQQPYMT-SUMWQHHRSA-N -1 3 374.452 3.007 20 0 FGADHM C[C@@H]1c2ccccc2CN1C(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000820825826 607052714 /nfs/dbraw/zinc/05/27/14/607052714.db2.gz FCYQKWZUUAVBQR-CYBMUJFWSA-N -1 3 363.421 3.128 20 0 FGADHM C[C@@H]1c2ccccc2CN1C(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000820825826 607052716 /nfs/dbraw/zinc/05/27/16/607052716.db2.gz FCYQKWZUUAVBQR-CYBMUJFWSA-N -1 3 363.421 3.128 20 0 FGADHM Cc1cc(NC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)cnc1Cl ZINC000822207062 607053398 /nfs/dbraw/zinc/05/33/98/607053398.db2.gz JSUHRWICCXKPMT-UHFFFAOYSA-N -1 3 372.816 3.020 20 0 FGADHM Fc1cc(-c2nnn[n-]2)ccc1CN[C@H](Cc1ccccc1)C(F)(F)F ZINC000822739625 607060002 /nfs/dbraw/zinc/06/00/02/607060002.db2.gz ARCOHRMODHUSRG-OAHLLOKOSA-N -1 3 365.334 3.269 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1CN[C@H](Cc1ccccc1)C(F)(F)F ZINC000822739625 607060004 /nfs/dbraw/zinc/06/00/04/607060004.db2.gz ARCOHRMODHUSRG-OAHLLOKOSA-N -1 3 365.334 3.269 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N(C1CC1)C1CCCCC1 ZINC000821755188 607066814 /nfs/dbraw/zinc/06/68/14/607066814.db2.gz AQHJXIUYRSAOFY-UHFFFAOYSA-N -1 3 356.430 3.204 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N(C1CC1)C1CCCCC1 ZINC000821755188 607066816 /nfs/dbraw/zinc/06/68/16/607066816.db2.gz AQHJXIUYRSAOFY-UHFFFAOYSA-N -1 3 356.430 3.204 20 0 FGADHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)C12CC3CC(CC(C3)C1)C2 ZINC000823413795 607074531 /nfs/dbraw/zinc/07/45/31/607074531.db2.gz NJSVTTILESHZRV-UHFFFAOYSA-N -1 3 356.401 3.265 20 0 FGADHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)C12CC3CC(CC(C3)C1)C2 ZINC000823413795 607074533 /nfs/dbraw/zinc/07/45/33/607074533.db2.gz NJSVTTILESHZRV-UHFFFAOYSA-N -1 3 356.401 3.265 20 0 FGADHM COc1cccc([C@H]2CN([C@H](C)c3ccc(-c4nn[n-]n4)cc3)CCO2)c1 ZINC000821862602 607076160 /nfs/dbraw/zinc/07/61/60/607076160.db2.gz DEINFEDYMZYGAU-AUUYWEPGSA-N -1 3 365.437 3.010 20 0 FGADHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)O[C@@H]1CCc2ccccc21 ZINC000820001486 607082417 /nfs/dbraw/zinc/08/24/17/607082417.db2.gz ORJWMBHIZKQYBT-QGZVFWFLSA-N -1 3 364.405 3.255 20 0 FGADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@@H]1CCc2ccccc21 ZINC000820001486 607082418 /nfs/dbraw/zinc/08/24/18/607082418.db2.gz ORJWMBHIZKQYBT-QGZVFWFLSA-N -1 3 364.405 3.255 20 0 FGADHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)c1coc(-c2ccccc2)n1 ZINC000823418915 607084805 /nfs/dbraw/zinc/08/48/05/607084805.db2.gz YSVJXKWRCBRJHR-UHFFFAOYSA-N -1 3 365.324 3.018 20 0 FGADHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)c1coc(-c2ccccc2)n1 ZINC000823418915 607084806 /nfs/dbraw/zinc/08/48/06/607084806.db2.gz YSVJXKWRCBRJHR-UHFFFAOYSA-N -1 3 365.324 3.018 20 0 FGADHM COc1ccc([C@@H](C)CC(=O)OCc2cc(F)ccc2-c2nnn[n-]2)cc1 ZINC000821778295 607085714 /nfs/dbraw/zinc/08/57/14/607085714.db2.gz XTGXULJQUQXGPG-LBPRGKRZSA-N -1 3 370.384 3.251 20 0 FGADHM COc1ccc([C@@H](C)CC(=O)OCc2cc(F)ccc2-c2nn[n-]n2)cc1 ZINC000821778295 607085716 /nfs/dbraw/zinc/08/57/16/607085716.db2.gz XTGXULJQUQXGPG-LBPRGKRZSA-N -1 3 370.384 3.251 20 0 FGADHM CC[C@H](Cc1ccccc1)N(CC)C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820914295 607087475 /nfs/dbraw/zinc/08/74/75/607087475.db2.gz NSOSVSYZTBGXKO-LJQANCHMSA-N -1 3 363.465 3.279 20 0 FGADHM CC[C@H](Cc1ccccc1)N(CC)C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820914295 607087476 /nfs/dbraw/zinc/08/74/76/607087476.db2.gz NSOSVSYZTBGXKO-LJQANCHMSA-N -1 3 363.465 3.279 20 0 FGADHM O=C(O[C@H]1CCc2sc(Cl)cc21)c1sccc1-c1nnn[n-]1 ZINC000823396993 607094277 /nfs/dbraw/zinc/09/42/77/607094277.db2.gz QCFJCLAWOXUOBU-QMMMGPOBSA-N -1 3 352.828 3.487 20 0 FGADHM C[C@@H](Nc1ccccc1O[C@@H]1CCOC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820461869 607110872 /nfs/dbraw/zinc/11/08/72/607110872.db2.gz RTBWVWDVXMGUJY-CZUORRHYSA-N -1 3 351.410 3.208 20 0 FGADHM C[C@@H](Nc1ccccc1O[C@@H]1CCOC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820461869 607110874 /nfs/dbraw/zinc/11/08/74/607110874.db2.gz RTBWVWDVXMGUJY-CZUORRHYSA-N -1 3 351.410 3.208 20 0 FGADHM C[C@@H](Cc1ccccc1Br)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000820301128 607114038 /nfs/dbraw/zinc/11/40/38/607114038.db2.gz VGBDNMADPBMEPW-JTQLQIEISA-N -1 3 359.231 3.067 20 0 FGADHM C[C@@H](Cc1ccccc1Br)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000820301128 607114039 /nfs/dbraw/zinc/11/40/39/607114039.db2.gz VGBDNMADPBMEPW-JTQLQIEISA-N -1 3 359.231 3.067 20 0 FGADHM Cc1cccc([C@H](O)CNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c1 ZINC000822288832 607127618 /nfs/dbraw/zinc/12/76/18/607127618.db2.gz KQRDDELBAXRGKN-OAHLLOKOSA-N -1 3 363.343 3.339 20 0 FGADHM Cc1cccc([C@H](O)CNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c1 ZINC000822288832 607127619 /nfs/dbraw/zinc/12/76/19/607127619.db2.gz KQRDDELBAXRGKN-OAHLLOKOSA-N -1 3 363.343 3.339 20 0 FGADHM FC(F)(F)c1ccc(N[C@H]2CCOC3(CCC3)C2)c(-c2nnn[n-]2)c1 ZINC000822723447 607132867 /nfs/dbraw/zinc/13/28/67/607132867.db2.gz FKUQWEUBHUQGAP-NSHDSACASA-N -1 3 353.348 3.399 20 0 FGADHM FC(F)(F)c1ccc(N[C@H]2CCOC3(CCC3)C2)c(-c2nn[n-]n2)c1 ZINC000822723447 607132869 /nfs/dbraw/zinc/13/28/69/607132869.db2.gz FKUQWEUBHUQGAP-NSHDSACASA-N -1 3 353.348 3.399 20 0 FGADHM Fc1cccc(-c2nc(COc3ccc(-c4nnn[n-]4)cc3F)co2)c1 ZINC000822786494 607137452 /nfs/dbraw/zinc/13/74/52/607137452.db2.gz LJQVXAJKLMJKKA-UHFFFAOYSA-N -1 3 355.304 3.379 20 0 FGADHM Fc1cccc(-c2nc(COc3ccc(-c4nn[n-]n4)cc3F)co2)c1 ZINC000822786494 607137453 /nfs/dbraw/zinc/13/74/53/607137453.db2.gz LJQVXAJKLMJKKA-UHFFFAOYSA-N -1 3 355.304 3.379 20 0 FGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N[C@@H]1CCCC(F)(F)C1 ZINC000819976008 607140882 /nfs/dbraw/zinc/14/08/82/607140882.db2.gz HSODGSNWQNFMDG-LLVKDONJSA-N -1 3 367.404 3.123 20 0 FGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N[C@@H]1CCCC(F)(F)C1 ZINC000819976008 607140884 /nfs/dbraw/zinc/14/08/84/607140884.db2.gz HSODGSNWQNFMDG-LLVKDONJSA-N -1 3 367.404 3.123 20 0 FGADHM O=C(Nc1sccc1-c1nnn[n-]1)c1cc(C(F)(F)F)ccc1F ZINC000823387657 607151466 /nfs/dbraw/zinc/15/14/66/607151466.db2.gz SMWFWLKHCADHBB-UHFFFAOYSA-N -1 3 357.292 3.338 20 0 FGADHM O=C(Nc1sccc1-c1nn[n-]n1)c1cc(C(F)(F)F)ccc1F ZINC000823387657 607151467 /nfs/dbraw/zinc/15/14/67/607151467.db2.gz SMWFWLKHCADHBB-UHFFFAOYSA-N -1 3 357.292 3.338 20 0 FGADHM CCC[C@H](C)[C@@H]1CCCN1C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000821014388 607152929 /nfs/dbraw/zinc/15/29/29/607152929.db2.gz FXCGNYMJQOQOPF-LRDDRELGSA-N -1 3 360.437 3.116 20 0 FGADHM CCC[C@H](C)[C@@H]1CCCN1C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000821014388 607152930 /nfs/dbraw/zinc/15/29/30/607152930.db2.gz FXCGNYMJQOQOPF-LRDDRELGSA-N -1 3 360.437 3.116 20 0 FGADHM CCO[C@@H](CC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C)C(C)C ZINC000821351444 607153749 /nfs/dbraw/zinc/15/37/49/607153749.db2.gz PYVGUHUJIJIGGE-KRWDZBQOSA-N -1 3 359.474 3.055 20 0 FGADHM CCO[C@@H](CC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C)C(C)C ZINC000821351444 607153750 /nfs/dbraw/zinc/15/37/50/607153750.db2.gz PYVGUHUJIJIGGE-KRWDZBQOSA-N -1 3 359.474 3.055 20 0 FGADHM Fc1ccc(NCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)cc1Cl ZINC000822782781 607164689 /nfs/dbraw/zinc/16/46/89/607164689.db2.gz GPZLMKHDUBPWQA-UHFFFAOYSA-N -1 3 371.763 3.321 20 0 FGADHM Fc1ccc(NCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)cc1Cl ZINC000822782781 607164691 /nfs/dbraw/zinc/16/46/91/607164691.db2.gz GPZLMKHDUBPWQA-UHFFFAOYSA-N -1 3 371.763 3.321 20 0 FGADHM c1cc(-c2nnn[n-]2)cc(-c2nnc(CNc3cccc4c3CCCC4)o2)c1 ZINC000823738141 607165434 /nfs/dbraw/zinc/16/54/34/607165434.db2.gz NOKPYXRIONYKHU-UHFFFAOYSA-N -1 3 373.420 3.408 20 0 FGADHM c1cc(-c2nn[n-]n2)cc(-c2nnc(CNc3cccc4c3CCCC4)o2)c1 ZINC000823738141 607165435 /nfs/dbraw/zinc/16/54/35/607165435.db2.gz NOKPYXRIONYKHU-UHFFFAOYSA-N -1 3 373.420 3.408 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1OCc1nnc(-c2ccc(Cl)cc2)o1 ZINC000822222891 607173149 /nfs/dbraw/zinc/17/31/49/607173149.db2.gz XICLAAZQHIODPS-UHFFFAOYSA-N -1 3 368.784 3.458 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1OCc1nnc(-c2ccc(Cl)cc2)o1 ZINC000822222891 607173150 /nfs/dbraw/zinc/17/31/50/607173150.db2.gz XICLAAZQHIODPS-UHFFFAOYSA-N -1 3 368.784 3.458 20 0 FGADHM COc1ccc([C@@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000821777175 607190656 /nfs/dbraw/zinc/19/06/56/607190656.db2.gz BREXBLSVHFBHBI-SNVBAGLBSA-N -1 3 357.801 3.271 20 0 FGADHM COc1ccc([C@@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000821777175 607190657 /nfs/dbraw/zinc/19/06/57/607190657.db2.gz BREXBLSVHFBHBI-SNVBAGLBSA-N -1 3 357.801 3.271 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1coc(Br)c1 ZINC000823319580 607192230 /nfs/dbraw/zinc/19/22/30/607192230.db2.gz VRGJRJLLNWMKBK-UHFFFAOYSA-N -1 3 368.578 3.128 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1coc(Br)c1 ZINC000823319580 607192231 /nfs/dbraw/zinc/19/22/31/607192231.db2.gz VRGJRJLLNWMKBK-UHFFFAOYSA-N -1 3 368.578 3.128 20 0 FGADHM CCc1cc(C)c(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)o1 ZINC000821470429 607192467 /nfs/dbraw/zinc/19/24/67/607192467.db2.gz OXRJTRKCNVKCGE-UHFFFAOYSA-N -1 3 363.324 3.184 20 0 FGADHM CCc1cc(C)c(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)o1 ZINC000821470429 607192468 /nfs/dbraw/zinc/19/24/68/607192468.db2.gz OXRJTRKCNVKCGE-UHFFFAOYSA-N -1 3 363.324 3.184 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N[C@@H]1CCCc2occc21 ZINC000823318854 607196098 /nfs/dbraw/zinc/19/60/98/607196098.db2.gz LXDDSDISARDAAB-GFCCVEGCSA-N -1 3 358.789 3.312 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N[C@@H]1CCCc2occc21 ZINC000823318854 607196099 /nfs/dbraw/zinc/19/60/99/607196099.db2.gz LXDDSDISARDAAB-GFCCVEGCSA-N -1 3 358.789 3.312 20 0 FGADHM C[C@]1(c2ccccc2)C[C@H]1NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820637480 607196255 /nfs/dbraw/zinc/19/62/55/607196255.db2.gz XTUHAFZUTOGKGJ-CRAIPNDOSA-N -1 3 368.828 3.372 20 0 FGADHM C[C@]1(c2ccccc2)C[C@H]1NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820637480 607196256 /nfs/dbraw/zinc/19/62/56/607196256.db2.gz XTUHAFZUTOGKGJ-CRAIPNDOSA-N -1 3 368.828 3.372 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N1CCC[C@@H]1c1ccccn1 ZINC000823313476 607197920 /nfs/dbraw/zinc/19/79/20/607197920.db2.gz CBWISXXFMZDXKB-OAHLLOKOSA-N -1 3 369.816 3.284 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N1CCC[C@@H]1c1ccccn1 ZINC000823313476 607197921 /nfs/dbraw/zinc/19/79/21/607197921.db2.gz CBWISXXFMZDXKB-OAHLLOKOSA-N -1 3 369.816 3.284 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N[C@@H]1CCc2c1cccc2O ZINC000823318589 607197946 /nfs/dbraw/zinc/19/79/46/607197946.db2.gz FLKNCONMOWXHQS-CYBMUJFWSA-N -1 3 370.800 3.035 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N[C@@H]1CCc2c1cccc2O ZINC000823318589 607197947 /nfs/dbraw/zinc/19/79/47/607197947.db2.gz FLKNCONMOWXHQS-CYBMUJFWSA-N -1 3 370.800 3.035 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N1CCC[C@H]1c1cccnc1 ZINC000823314579 607198486 /nfs/dbraw/zinc/19/84/86/607198486.db2.gz RAJFQVICHKGFAA-HNNXBMFYSA-N -1 3 369.816 3.284 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N1CCC[C@H]1c1cccnc1 ZINC000823314579 607198487 /nfs/dbraw/zinc/19/84/87/607198487.db2.gz RAJFQVICHKGFAA-HNNXBMFYSA-N -1 3 369.816 3.284 20 0 FGADHM CC(C)(C)SCCNC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000819950788 607198867 /nfs/dbraw/zinc/19/88/67/607198867.db2.gz MXGDNTZPUWXCGA-UHFFFAOYSA-N -1 3 354.867 3.173 20 0 FGADHM CC(C)(C)SCCNC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000819950788 607198868 /nfs/dbraw/zinc/19/88/68/607198868.db2.gz MXGDNTZPUWXCGA-UHFFFAOYSA-N -1 3 354.867 3.173 20 0 FGADHM Cc1nc(CC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)c(C)s1 ZINC000822435693 607235927 /nfs/dbraw/zinc/23/59/27/607235927.db2.gz AJDJTAKZRMUDCI-UHFFFAOYSA-N -1 3 374.495 3.062 20 0 FGADHM Cc1nc(CC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)c(C)s1 ZINC000822435693 607235928 /nfs/dbraw/zinc/23/59/28/607235928.db2.gz AJDJTAKZRMUDCI-UHFFFAOYSA-N -1 3 374.495 3.062 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)c1ccc(F)cc1C(F)(F)F ZINC000823346330 607239486 /nfs/dbraw/zinc/23/94/86/607239486.db2.gz LRJHUXJVONKBIP-UHFFFAOYSA-N -1 3 369.253 3.416 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)c1ccc(F)cc1C(F)(F)F ZINC000823346330 607239487 /nfs/dbraw/zinc/23/94/87/607239487.db2.gz LRJHUXJVONKBIP-UHFFFAOYSA-N -1 3 369.253 3.416 20 0 FGADHM CN(C)c1ccc(CCC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000821589236 607243561 /nfs/dbraw/zinc/24/35/61/607243561.db2.gz DPBMSMWANUQTQB-UHFFFAOYSA-N -1 3 370.844 3.157 20 0 FGADHM CN(C)c1ccc(CCC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000821589236 607243562 /nfs/dbraw/zinc/24/35/62/607243562.db2.gz DPBMSMWANUQTQB-UHFFFAOYSA-N -1 3 370.844 3.157 20 0 FGADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)c1cccc(C(F)(F)F)c1F ZINC000823449810 607245660 /nfs/dbraw/zinc/24/56/60/607245660.db2.gz DNOVWROHTCQOEG-UHFFFAOYSA-N -1 3 370.237 3.383 20 0 FGADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)c1cccc(C(F)(F)F)c1F ZINC000823449810 607245661 /nfs/dbraw/zinc/24/56/61/607245661.db2.gz DNOVWROHTCQOEG-UHFFFAOYSA-N -1 3 370.237 3.383 20 0 FGADHM Cc1nc(CC(C)C)sc1C(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000822436213 607247157 /nfs/dbraw/zinc/24/71/57/607247157.db2.gz IWTTVORWLBJPFB-UHFFFAOYSA-N -1 3 361.402 3.188 20 0 FGADHM Cc1nc(CC(C)C)sc1C(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000822436213 607247158 /nfs/dbraw/zinc/24/71/58/607247158.db2.gz IWTTVORWLBJPFB-UHFFFAOYSA-N -1 3 361.402 3.188 20 0 FGADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)c1csc(Br)c1 ZINC000823450314 607247349 /nfs/dbraw/zinc/24/73/49/607247349.db2.gz OBFHEGVGKYOOFD-UHFFFAOYSA-N -1 3 369.175 3.049 20 0 FGADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)c1csc(Br)c1 ZINC000823450314 607247350 /nfs/dbraw/zinc/24/73/50/607247350.db2.gz OBFHEGVGKYOOFD-UHFFFAOYSA-N -1 3 369.175 3.049 20 0 FGADHM COCC[C@H](OC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000826154930 607780483 /nfs/dbraw/zinc/78/04/83/607780483.db2.gz AUYOMWLPRLHDOV-JYBLJSLWSA-N -1 3 364.405 3.201 20 0 FGADHM COCC[C@H](OC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000826154930 607780484 /nfs/dbraw/zinc/78/04/84/607780484.db2.gz AUYOMWLPRLHDOV-JYBLJSLWSA-N -1 3 364.405 3.201 20 0 FGADHM S=C(NCC1(C2CC2)CCC1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826511377 607784254 /nfs/dbraw/zinc/78/42/54/607784254.db2.gz MXMGKPWBPVZKAN-UHFFFAOYSA-N -1 3 362.890 3.387 20 0 FGADHM S=C(NCC1(C2CC2)CCC1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826511377 607784255 /nfs/dbraw/zinc/78/42/55/607784255.db2.gz MXMGKPWBPVZKAN-UHFFFAOYSA-N -1 3 362.890 3.387 20 0 FGADHM CCCOc1ccc(CCC(=O)N(C)c2ccccc2-c2nnn[n-]2)cc1 ZINC000825339208 607788172 /nfs/dbraw/zinc/78/81/72/607788172.db2.gz RLXWCRLZBLWEJF-UHFFFAOYSA-N -1 3 365.437 3.251 20 0 FGADHM CCCOc1ccc(CCC(=O)N(C)c2ccccc2-c2nn[n-]n2)cc1 ZINC000825339208 607788173 /nfs/dbraw/zinc/78/81/73/607788173.db2.gz RLXWCRLZBLWEJF-UHFFFAOYSA-N -1 3 365.437 3.251 20 0 FGADHM CN(C(=O)c1cncc(-c2ccccc2)c1)c1ccccc1-c1nnn[n-]1 ZINC000825833319 607790120 /nfs/dbraw/zinc/79/01/20/607790120.db2.gz GGJYHZFCTMTTRN-UHFFFAOYSA-N -1 3 356.389 3.205 20 0 FGADHM CN(C(=O)c1cncc(-c2ccccc2)c1)c1ccccc1-c1nn[n-]n1 ZINC000825833319 607790121 /nfs/dbraw/zinc/79/01/21/607790121.db2.gz GGJYHZFCTMTTRN-UHFFFAOYSA-N -1 3 356.389 3.205 20 0 FGADHM CC1(C)C[C@@H]1C(=O)Nc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000824795627 607793732 /nfs/dbraw/zinc/79/37/32/607793732.db2.gz BCTYGKHPTYPBHK-QGZVFWFLSA-N -1 3 363.421 3.430 20 0 FGADHM CC1(C)C[C@@H]1C(=O)Nc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000824795627 607793733 /nfs/dbraw/zinc/79/37/33/607793733.db2.gz BCTYGKHPTYPBHK-QGZVFWFLSA-N -1 3 363.421 3.430 20 0 FGADHM CCN(C(=O)[C@@H]1C[C@H]1c1sccc1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367548 607797271 /nfs/dbraw/zinc/79/72/71/607797271.db2.gz SKJOPIZQTAFZKZ-HUUCEWRRSA-N -1 3 353.451 3.393 20 0 FGADHM CCN(C(=O)[C@@H]1C[C@H]1c1sccc1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367548 607797272 /nfs/dbraw/zinc/79/72/72/607797272.db2.gz SKJOPIZQTAFZKZ-HUUCEWRRSA-N -1 3 353.451 3.393 20 0 FGADHM CCN(C(=O)COc1cccc(C(C)C)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825371561 607799845 /nfs/dbraw/zinc/79/98/45/607799845.db2.gz INYDHDUDRSFGNU-UHFFFAOYSA-N -1 3 365.437 3.422 20 0 FGADHM CCN(C(=O)COc1cccc(C(C)C)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825371561 607799846 /nfs/dbraw/zinc/79/98/46/607799846.db2.gz INYDHDUDRSFGNU-UHFFFAOYSA-N -1 3 365.437 3.422 20 0 FGADHM CN(CCc1nccs1)c1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000825950153 607811032 /nfs/dbraw/zinc/81/10/32/607811032.db2.gz JVNRVWNGDLSLRH-UHFFFAOYSA-N -1 3 354.361 3.021 20 0 FGADHM Clc1ccc(N2CCO[C@@]3(CCc4ccccc43)C2)c(-c2nnn[n-]2)c1 ZINC000826352211 607811176 /nfs/dbraw/zinc/81/11/76/607811176.db2.gz SGMKPJOYAHXAPO-IBGZPJMESA-N -1 3 367.840 3.198 20 0 FGADHM Clc1ccc(N2CCO[C@@]3(CCc4ccccc43)C2)c(-c2nn[n-]n2)c1 ZINC000826352211 607811177 /nfs/dbraw/zinc/81/11/77/607811177.db2.gz SGMKPJOYAHXAPO-IBGZPJMESA-N -1 3 367.840 3.198 20 0 FGADHM FC(F)(F)c1ccc(N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)c(-c2nnn[n-]2)c1 ZINC000826368821 607821965 /nfs/dbraw/zinc/82/19/65/607821965.db2.gz CDVFVJPFFCULFV-LERXQTSPSA-N -1 3 365.359 3.255 20 0 FGADHM FC(F)(F)c1ccc(N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)c(-c2nn[n-]n2)c1 ZINC000826368821 607821966 /nfs/dbraw/zinc/82/19/66/607821966.db2.gz CDVFVJPFFCULFV-LERXQTSPSA-N -1 3 365.359 3.255 20 0 FGADHM CN(Cn1ccc(-c2ccsc2)n1)c1ccc(-c2nn[n-]n2)cc1F ZINC000825998936 607848196 /nfs/dbraw/zinc/84/81/96/607848196.db2.gz GATHSTCDZQUKSC-UHFFFAOYSA-N -1 3 355.402 3.025 20 0 FGADHM C[C@@H](Nc1cc(-c2nnn[n-]2)c2ccccc2n1)[C@@H]1COc2ccccc21 ZINC000824650412 607850163 /nfs/dbraw/zinc/85/01/63/607850163.db2.gz RJUZUAKITADRKH-WBMJQRKESA-N -1 3 358.405 3.392 20 0 FGADHM C[C@@H](Nc1cc(-c2nn[n-]n2)c2ccccc2n1)[C@@H]1COc2ccccc21 ZINC000824650412 607850164 /nfs/dbraw/zinc/85/01/64/607850164.db2.gz RJUZUAKITADRKH-WBMJQRKESA-N -1 3 358.405 3.392 20 0 FGADHM CCc1c(C)sc(NC(=O)c2cccc(OC(C)C)n2)c1-c1nnn[n-]1 ZINC000825687292 607861221 /nfs/dbraw/zinc/86/12/21/607861221.db2.gz FKNYSEMIRINGAI-UHFFFAOYSA-N -1 3 372.454 3.234 20 0 FGADHM CCc1c(C)sc(NC(=O)c2cccc(OC(C)C)n2)c1-c1nn[n-]n1 ZINC000825687292 607861222 /nfs/dbraw/zinc/86/12/22/607861222.db2.gz FKNYSEMIRINGAI-UHFFFAOYSA-N -1 3 372.454 3.234 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1nc2ccccc2n1C1CC1 ZINC000826251273 607861636 /nfs/dbraw/zinc/86/16/36/607861636.db2.gz KIJMPSJFLLNMJI-UHFFFAOYSA-N -1 3 359.393 3.112 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1nc2ccccc2n1C1CC1 ZINC000826251273 607861637 /nfs/dbraw/zinc/86/16/37/607861637.db2.gz KIJMPSJFLLNMJI-UHFFFAOYSA-N -1 3 359.393 3.112 20 0 FGADHM C[C@@H]1CCN(C(=O)c2ncc(-c3nnn[n-]3)cc2Cl)[C@H](c2ccco2)C1 ZINC000824953289 607878631 /nfs/dbraw/zinc/87/86/31/607878631.db2.gz DIEGNDJVFQNWRO-MFKMUULPSA-N -1 3 372.816 3.122 20 0 FGADHM C[C@@H]1CCN(C(=O)c2ncc(-c3nn[n-]n3)cc2Cl)[C@H](c2ccco2)C1 ZINC000824953289 607878632 /nfs/dbraw/zinc/87/86/32/607878632.db2.gz DIEGNDJVFQNWRO-MFKMUULPSA-N -1 3 372.816 3.122 20 0 FGADHM Clc1ccc(Cc2nc(Cn3ccc(-c4nnn[n-]4)c3)cs2)cc1 ZINC000826352247 607890530 /nfs/dbraw/zinc/89/05/30/607890530.db2.gz UQHYXLZVTJPVNX-UHFFFAOYSA-N -1 3 356.842 3.417 20 0 FGADHM Clc1ccc(Cc2nc(Cn3ccc(-c4nn[n-]n4)c3)cs2)cc1 ZINC000826352247 607890531 /nfs/dbraw/zinc/89/05/31/607890531.db2.gz UQHYXLZVTJPVNX-UHFFFAOYSA-N -1 3 356.842 3.417 20 0 FGADHM COc1ccc(C(F)(F)C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826189406 607924215 /nfs/dbraw/zinc/92/42/15/607924215.db2.gz UZVHUVMRTUEMEL-NSHDSACASA-N -1 3 374.347 3.272 20 0 FGADHM COc1ccc(C(F)(F)C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826189406 607924216 /nfs/dbraw/zinc/92/42/16/607924216.db2.gz UZVHUVMRTUEMEL-NSHDSACASA-N -1 3 374.347 3.272 20 0 FGADHM COc1cc(C)nc(CSc2nc3c(cc2-c2nnn[n-]2)CCCC3)c1 ZINC000826178519 607931639 /nfs/dbraw/zinc/93/16/39/607931639.db2.gz AXYCVRAWKNKQCG-UHFFFAOYSA-N -1 3 368.466 3.145 20 0 FGADHM COc1cc(C)nc(CSc2nc3c(cc2-c2nn[n-]n2)CCCC3)c1 ZINC000826178519 607931640 /nfs/dbraw/zinc/93/16/40/607931640.db2.gz AXYCVRAWKNKQCG-UHFFFAOYSA-N -1 3 368.466 3.145 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(F)(F)c1c(F)cccc1F ZINC000826277029 607936783 /nfs/dbraw/zinc/93/67/83/607936783.db2.gz GHSODDNIWHWOAM-UHFFFAOYSA-N -1 3 365.290 3.184 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(F)(F)c1c(F)cccc1F ZINC000826277029 607936784 /nfs/dbraw/zinc/93/67/84/607936784.db2.gz GHSODDNIWHWOAM-UHFFFAOYSA-N -1 3 365.290 3.184 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCC12CCC(CC1)C2 ZINC000825318592 607940663 /nfs/dbraw/zinc/94/06/63/607940663.db2.gz QEYGEZWWPKOLTD-UHFFFAOYSA-N -1 3 368.485 3.369 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCC12CCC(CC1)C2 ZINC000825318592 607940664 /nfs/dbraw/zinc/94/06/64/607940664.db2.gz QEYGEZWWPKOLTD-UHFFFAOYSA-N -1 3 368.485 3.369 20 0 FGADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)NCC12CCC(CC1)C2 ZINC000826406254 607944958 /nfs/dbraw/zinc/94/49/58/607944958.db2.gz OMDULLPGGGAZCO-UHFFFAOYSA-N -1 3 369.469 3.112 20 0 FGADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)NCC12CCC(CC1)C2 ZINC000826406254 607944959 /nfs/dbraw/zinc/94/49/59/607944959.db2.gz OMDULLPGGGAZCO-UHFFFAOYSA-N -1 3 369.469 3.112 20 0 FGADHM Cc1c2cccc(F)c2oc1C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826234143 607947951 /nfs/dbraw/zinc/94/79/51/607947951.db2.gz JPWYJWYCAUGXBJ-UHFFFAOYSA-N -1 3 363.352 3.263 20 0 FGADHM Cc1c2cccc(F)c2oc1C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826234143 607947952 /nfs/dbraw/zinc/94/79/52/607947952.db2.gz JPWYJWYCAUGXBJ-UHFFFAOYSA-N -1 3 363.352 3.263 20 0 FGADHM O=C(c1c[nH]c2cc(Cl)ccc12)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826469737 607949522 /nfs/dbraw/zinc/94/95/22/607949522.db2.gz PSKAKHKZTLVHEF-UHFFFAOYSA-N -1 3 364.796 3.204 20 0 FGADHM O=C(c1c[nH]c2cc(Cl)ccc12)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826469737 607949523 /nfs/dbraw/zinc/94/95/23/607949523.db2.gz PSKAKHKZTLVHEF-UHFFFAOYSA-N -1 3 364.796 3.204 20 0 FGADHM CC(C)(C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21)c1ccc(Cl)cc1 ZINC000824059048 607950384 /nfs/dbraw/zinc/95/03/84/607950384.db2.gz LNMYRRVHPKPPDN-UHFFFAOYSA-N -1 3 367.840 3.387 20 0 FGADHM CC(C)(C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21)c1ccc(Cl)cc1 ZINC000824059048 607950385 /nfs/dbraw/zinc/95/03/85/607950385.db2.gz LNMYRRVHPKPPDN-UHFFFAOYSA-N -1 3 367.840 3.387 20 0 FGADHM O=C([C@H]1CCC[C@@H](C(F)(F)F)C1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826398967 607953382 /nfs/dbraw/zinc/95/33/82/607953382.db2.gz JKIGRDVZWUIJOM-QWHCGFSZSA-N -1 3 365.359 3.125 20 0 FGADHM O=C([C@H]1CCC[C@@H](C(F)(F)F)C1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826398967 607953383 /nfs/dbraw/zinc/95/33/83/607953383.db2.gz JKIGRDVZWUIJOM-QWHCGFSZSA-N -1 3 365.359 3.125 20 0 FGADHM O=C(c1c[nH]cc1-c1ccc(F)cc1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826469753 607954274 /nfs/dbraw/zinc/95/42/74/607954274.db2.gz QKZZCSYRJMYMDW-UHFFFAOYSA-N -1 3 374.379 3.204 20 0 FGADHM O=C(c1c[nH]cc1-c1ccc(F)cc1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826469753 607954275 /nfs/dbraw/zinc/95/42/75/607954275.db2.gz QKZZCSYRJMYMDW-UHFFFAOYSA-N -1 3 374.379 3.204 20 0 FGADHM C[C@H](NC(=O)c1cnc2ccc(F)cc2c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824520715 607969481 /nfs/dbraw/zinc/96/94/81/607969481.db2.gz BXIXQHDGRNAWBJ-NSHDSACASA-N -1 3 362.368 3.045 20 0 FGADHM C[C@H](NC(=O)c1cnc2ccc(F)cc2c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824520715 607969482 /nfs/dbraw/zinc/96/94/82/607969482.db2.gz BXIXQHDGRNAWBJ-NSHDSACASA-N -1 3 362.368 3.045 20 0 FGADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1-c1cnn(Cc2ccccc2)c1 ZINC000825782674 607975864 /nfs/dbraw/zinc/97/58/64/607975864.db2.gz LEJDCIGSPJSTRL-UHFFFAOYSA-N -1 3 370.420 3.148 20 0 FGADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1cnn(Cc2ccccc2)c1 ZINC000825782674 607975865 /nfs/dbraw/zinc/97/58/65/607975865.db2.gz LEJDCIGSPJSTRL-UHFFFAOYSA-N -1 3 370.420 3.148 20 0 FGADHM CC(=Cc1ccc(Cl)cc1)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000823943178 607981715 /nfs/dbraw/zinc/98/17/15/607981715.db2.gz OTVAHLJWMFBFHK-FLIBITNWSA-N -1 3 371.803 3.379 20 0 FGADHM CC(=Cc1ccc(Cl)cc1)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000823943178 607981716 /nfs/dbraw/zinc/98/17/16/607981716.db2.gz OTVAHLJWMFBFHK-FLIBITNWSA-N -1 3 371.803 3.379 20 0 FGADHM Cc1ccccc1CN(Cc1cccnc1)c1ccc(-c2nnn[n-]2)cn1 ZINC000826307175 607987317 /nfs/dbraw/zinc/98/73/17/607987317.db2.gz YGSXIJHXMJWRNQ-UHFFFAOYSA-N -1 3 357.421 3.172 20 0 FGADHM Cc1ccccc1CN(Cc1cccnc1)c1ccc(-c2nn[n-]n2)cn1 ZINC000826307175 607987318 /nfs/dbraw/zinc/98/73/18/607987318.db2.gz YGSXIJHXMJWRNQ-UHFFFAOYSA-N -1 3 357.421 3.172 20 0 FGADHM COc1cccc(CNc2ccc(-c3nn[n-]n3)cc2Br)c1 ZINC000826216137 607987752 /nfs/dbraw/zinc/98/77/52/607987752.db2.gz LZATVIQJBVDYMB-UHFFFAOYSA-N -1 3 360.215 3.250 20 0 FGADHM c1cc2c(cc1CNc1ccc3cc(-c4nnn[n-]4)ccc3n1)OCCCO2 ZINC000826518163 607990918 /nfs/dbraw/zinc/99/09/18/607990918.db2.gz DGLJYXXNRKLARN-UHFFFAOYSA-N -1 3 374.404 3.188 20 0 FGADHM c1cc2c(cc1CNc1ccc3cc(-c4nn[n-]n4)ccc3n1)OCCCO2 ZINC000826518163 607990919 /nfs/dbraw/zinc/99/09/19/607990919.db2.gz DGLJYXXNRKLARN-UHFFFAOYSA-N -1 3 374.404 3.188 20 0 FGADHM c1ccc2c(c1)[nH]c1c2CCN(CCCOc2cccc(-c3nnn[n-]3)c2)C1 ZINC000826517811 607992599 /nfs/dbraw/zinc/99/25/99/607992599.db2.gz PKKFWOLJHAUFRG-UHFFFAOYSA-N -1 3 374.448 3.175 20 0 FGADHM c1ccc2c(c1)[nH]c1c2CCN(CCCOc2cccc(-c3nn[n-]n3)c2)C1 ZINC000826517811 607992600 /nfs/dbraw/zinc/99/26/00/607992600.db2.gz PKKFWOLJHAUFRG-UHFFFAOYSA-N -1 3 374.448 3.175 20 0 FGADHM C[C@@H](NC(=O)N1CCCC12CCCCC2)c1cccc(-c2nnn[n-]2)c1 ZINC000824487328 607993238 /nfs/dbraw/zinc/99/32/38/607993238.db2.gz AJGULRTZJQHARG-CQSZACIVSA-N -1 3 354.458 3.436 20 0 FGADHM C[C@@H](NC(=O)N1CCCC12CCCCC2)c1cccc(-c2nn[n-]n2)c1 ZINC000824487328 607993239 /nfs/dbraw/zinc/99/32/39/607993239.db2.gz AJGULRTZJQHARG-CQSZACIVSA-N -1 3 354.458 3.436 20 0 FGADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)C=Cc2ccc(Cl)nc2)s1 ZINC000825694150 608004003 /nfs/dbraw/zinc/00/40/03/608004003.db2.gz LUQSYWUGWVFMGH-GQCTYLIASA-N -1 3 360.830 3.191 20 0 FGADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)C=Cc2ccc(Cl)nc2)s1 ZINC000825694150 608004004 /nfs/dbraw/zinc/00/40/04/608004004.db2.gz LUQSYWUGWVFMGH-GQCTYLIASA-N -1 3 360.830 3.191 20 0 FGADHM CC(C)c1ccc([C@@H]2CCCN2C(=O)c2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000824347884 608008274 /nfs/dbraw/zinc/00/82/74/608008274.db2.gz QQIBQAVDIZUJHW-SFHVURJKSA-N -1 3 362.437 3.362 20 0 FGADHM CC(C)c1ccc([C@@H]2CCCN2C(=O)c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000824347884 608008275 /nfs/dbraw/zinc/00/82/75/608008275.db2.gz QQIBQAVDIZUJHW-SFHVURJKSA-N -1 3 362.437 3.362 20 0 FGADHM CC(=O)c1ccc(NC(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000824024792 608009818 /nfs/dbraw/zinc/00/98/18/608009818.db2.gz PVHBBBFSSDIIND-GFCCVEGCSA-N -1 3 364.409 3.260 20 0 FGADHM CC(=O)c1ccc(NC(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000824024792 608009819 /nfs/dbraw/zinc/00/98/19/608009819.db2.gz PVHBBBFSSDIIND-GFCCVEGCSA-N -1 3 364.409 3.260 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1NC1CCC(OC(=O)[C@@H]2C[C@@H]2C)CC1 ZINC000826254646 608012318 /nfs/dbraw/zinc/01/23/18/608012318.db2.gz VJXWDFHSFQPNPL-IWNGFBJFSA-N -1 3 355.442 3.097 20 0 FGADHM Cc1cc(C)n(C[C@@H]2CCCCN2c2c(F)cc(-c3nnn[n-]3)cc2F)n1 ZINC000826265382 608049385 /nfs/dbraw/zinc/04/93/85/608049385.db2.gz WWLIBNRZLLZJMN-AWEZNQCLSA-N -1 3 373.411 3.017 20 0 FGADHM Cc1cc(C)n(C[C@@H]2CCCCN2c2c(F)cc(-c3nn[n-]n3)cc2F)n1 ZINC000826265382 608049386 /nfs/dbraw/zinc/04/93/86/608049386.db2.gz WWLIBNRZLLZJMN-AWEZNQCLSA-N -1 3 373.411 3.017 20 0 FGADHM Clc1ccc(Cn2cc(NCc3cccc(-c4nnn[n-]4)c3)cn2)cc1 ZINC000826352006 608055754 /nfs/dbraw/zinc/05/57/54/608055754.db2.gz JNZPBANKAFBKBZ-UHFFFAOYSA-N -1 3 365.828 3.377 20 0 FGADHM Clc1ccc(Cn2cc(NCc3cccc(-c4nn[n-]n4)c3)cn2)cc1 ZINC000826352006 608055755 /nfs/dbraw/zinc/05/57/55/608055755.db2.gz JNZPBANKAFBKBZ-UHFFFAOYSA-N -1 3 365.828 3.377 20 0 FGADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2cccc([C@@H]3CCOC3)c2)s1 ZINC000825694639 608061428 /nfs/dbraw/zinc/06/14/28/608061428.db2.gz XPFQGIXKNJMHRO-CYBMUJFWSA-N -1 3 369.450 3.247 20 0 FGADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2cccc([C@@H]3CCOC3)c2)s1 ZINC000825694639 608061429 /nfs/dbraw/zinc/06/14/29/608061429.db2.gz XPFQGIXKNJMHRO-CYBMUJFWSA-N -1 3 369.450 3.247 20 0 FGADHM C[C@@H](c1ccc(F)c(F)c1)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824763206 608067011 /nfs/dbraw/zinc/06/70/11/608067011.db2.gz LCOYNIGLUANOBV-KPZWWZAWSA-N -1 3 371.391 3.279 20 0 FGADHM C[C@@H](c1ccc(F)c(F)c1)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824763206 608067012 /nfs/dbraw/zinc/06/70/12/608067012.db2.gz LCOYNIGLUANOBV-KPZWWZAWSA-N -1 3 371.391 3.279 20 0 FGADHM CN(Cc1ccc(Cl)c(F)c1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000825966268 608100561 /nfs/dbraw/zinc/10/05/61/608100561.db2.gz VTKLYIOLHKLJOZ-UHFFFAOYSA-N -1 3 360.780 3.323 20 0 FGADHM CN(Cc1ccc(Cl)c(F)c1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000825966268 608100562 /nfs/dbraw/zinc/10/05/62/608100562.db2.gz VTKLYIOLHKLJOZ-UHFFFAOYSA-N -1 3 360.780 3.323 20 0 FGADHM C[C@H](NC(=O)Nc1scnc1C1CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824506731 608106395 /nfs/dbraw/zinc/10/63/95/608106395.db2.gz QBCNPVUTKLXWFW-VIFPVBQESA-N -1 3 355.427 3.083 20 0 FGADHM C[C@H](NC(=O)Nc1scnc1C1CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824506731 608106396 /nfs/dbraw/zinc/10/63/96/608106396.db2.gz QBCNPVUTKLXWFW-VIFPVBQESA-N -1 3 355.427 3.083 20 0 FGADHM C[C@@H](NC(=O)Nc1scnc1C1CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824506729 608106507 /nfs/dbraw/zinc/10/65/07/608106507.db2.gz QBCNPVUTKLXWFW-SECBINFHSA-N -1 3 355.427 3.083 20 0 FGADHM C[C@@H](NC(=O)Nc1scnc1C1CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824506729 608106506 /nfs/dbraw/zinc/10/65/06/608106506.db2.gz QBCNPVUTKLXWFW-SECBINFHSA-N -1 3 355.427 3.083 20 0 FGADHM C[C@@H](C(=O)OCc1ccc(F)cc1-c1nnn[n-]1)c1c(F)cccc1F ZINC000824051767 608117038 /nfs/dbraw/zinc/11/70/38/608117038.db2.gz DKBICHRNOYHYRX-SECBINFHSA-N -1 3 362.311 3.131 20 0 FGADHM C[C@@H](C(=O)OCc1ccc(F)cc1-c1nn[n-]n1)c1c(F)cccc1F ZINC000824051767 608117039 /nfs/dbraw/zinc/11/70/39/608117039.db2.gz DKBICHRNOYHYRX-SECBINFHSA-N -1 3 362.311 3.131 20 0 FGADHM COc1ccc(COC(=O)[C@@H](C)c2c(F)cccc2F)cc1-c1nnn[n-]1 ZINC000826204210 608117614 /nfs/dbraw/zinc/11/76/14/608117614.db2.gz BZSNGRRZJVNRIR-JTQLQIEISA-N -1 3 374.347 3.000 20 0 FGADHM COc1ccc(COC(=O)[C@@H](C)c2c(F)cccc2F)cc1-c1nn[n-]n1 ZINC000826204210 608117615 /nfs/dbraw/zinc/11/76/15/608117615.db2.gz BZSNGRRZJVNRIR-JTQLQIEISA-N -1 3 374.347 3.000 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cc(F)c(Cl)cc1F ZINC000826186386 608119932 /nfs/dbraw/zinc/11/99/32/608119932.db2.gz QIDHAZGCEOPDMS-UHFFFAOYSA-N -1 3 365.727 3.059 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(F)c(Cl)cc1F ZINC000826186386 608119933 /nfs/dbraw/zinc/11/99/33/608119933.db2.gz QIDHAZGCEOPDMS-UHFFFAOYSA-N -1 3 365.727 3.059 20 0 FGADHM C[C@H](OC(=O)c1cc(-c2nnn[n-]2)cn1C)c1ccc2c(c1)CCCC2 ZINC000824724033 608129568 /nfs/dbraw/zinc/12/95/68/608129568.db2.gz XLRWUISSFCYOTH-LBPRGKRZSA-N -1 3 351.410 3.002 20 0 FGADHM C[C@H](OC(=O)c1cc(-c2nn[n-]n2)cn1C)c1ccc2c(c1)CCCC2 ZINC000824724033 608129569 /nfs/dbraw/zinc/12/95/69/608129569.db2.gz XLRWUISSFCYOTH-LBPRGKRZSA-N -1 3 351.410 3.002 20 0 FGADHM Cc1ccc([C@@H]2CCN(C(=O)C=Cc3ccccc3-c3nnn[n-]3)C2)cc1 ZINC000826286048 608129979 /nfs/dbraw/zinc/12/99/79/608129979.db2.gz QVBOLISVGPGREP-DOJUMQAQSA-N -1 3 359.433 3.204 20 0 FGADHM Cc1ccc([C@@H]2CCN(C(=O)C=Cc3ccccc3-c3nn[n-]n3)C2)cc1 ZINC000826286048 608129980 /nfs/dbraw/zinc/12/99/80/608129980.db2.gz QVBOLISVGPGREP-DOJUMQAQSA-N -1 3 359.433 3.204 20 0 FGADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CC[C@H](C(C)(C)C)C1 ZINC000824207393 608131107 /nfs/dbraw/zinc/13/11/07/608131107.db2.gz VOMQSEXFEMGCGI-YOEHRIQHSA-N -1 3 371.485 3.165 20 0 FGADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CC[C@H](C(C)(C)C)C1 ZINC000824207393 608131108 /nfs/dbraw/zinc/13/11/08/608131108.db2.gz VOMQSEXFEMGCGI-YOEHRIQHSA-N -1 3 371.485 3.165 20 0 FGADHM O=C(NC1CCCC1)c1ccccc1OCc1cccc(-c2nnn[n-]2)c1 ZINC000826429501 608151079 /nfs/dbraw/zinc/15/10/79/608151079.db2.gz FNLWDFAIFQTKRF-UHFFFAOYSA-N -1 3 363.421 3.118 20 0 FGADHM O=C(NC1CCCC1)c1ccccc1OCc1cccc(-c2nn[n-]n2)c1 ZINC000826429501 608151081 /nfs/dbraw/zinc/15/10/81/608151081.db2.gz FNLWDFAIFQTKRF-UHFFFAOYSA-N -1 3 363.421 3.118 20 0 FGADHM Fc1ccc(Cl)c2c1ncc(-c1nnn[n-]1)c2N1CC[C@@H](C2CC2)C1 ZINC000826374540 608152252 /nfs/dbraw/zinc/15/22/52/608152252.db2.gz CVYLQKIELOWTHM-SNVBAGLBSA-N -1 3 358.808 3.444 20 0 FGADHM Fc1ccc(Cl)c2c1ncc(-c1nn[n-]n1)c2N1CC[C@@H](C2CC2)C1 ZINC000826374540 608152253 /nfs/dbraw/zinc/15/22/53/608152253.db2.gz CVYLQKIELOWTHM-SNVBAGLBSA-N -1 3 358.808 3.444 20 0 FGADHM C[C@@H](SCc1ncn(-c2ccccc2)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824757419 608153467 /nfs/dbraw/zinc/15/34/67/608153467.db2.gz WIDJTJPNPMAICT-CYBMUJFWSA-N -1 3 363.450 3.442 20 0 FGADHM C[C@@H](SCc1ncn(-c2ccccc2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824757419 608153468 /nfs/dbraw/zinc/15/34/68/608153468.db2.gz WIDJTJPNPMAICT-CYBMUJFWSA-N -1 3 363.450 3.442 20 0 FGADHM COc1ccccc1SCC(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826220880 608160012 /nfs/dbraw/zinc/16/00/12/608160012.db2.gz FDVUSEJKKSHBLR-LBPRGKRZSA-N -1 3 370.434 3.272 20 0 FGADHM COc1ccccc1SCC(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826220880 608160014 /nfs/dbraw/zinc/16/00/14/608160014.db2.gz FDVUSEJKKSHBLR-LBPRGKRZSA-N -1 3 370.434 3.272 20 0 FGADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)N[C@@H]1CC12CCCCC2 ZINC000826406174 608165340 /nfs/dbraw/zinc/16/53/40/608165340.db2.gz LFYXZPFQVIGSDA-QGZVFWFLSA-N -1 3 369.469 3.255 20 0 FGADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)N[C@@H]1CC12CCCCC2 ZINC000826406174 608165342 /nfs/dbraw/zinc/16/53/42/608165342.db2.gz LFYXZPFQVIGSDA-QGZVFWFLSA-N -1 3 369.469 3.255 20 0 FGADHM CCCCNc1ccccc1C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000825290721 608167739 /nfs/dbraw/zinc/16/77/39/608167739.db2.gz GMWVICZBUSLAMB-UHFFFAOYSA-N -1 3 368.416 3.148 20 0 FGADHM CCCCNc1ccccc1C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000825290721 608167740 /nfs/dbraw/zinc/16/77/40/608167740.db2.gz GMWVICZBUSLAMB-UHFFFAOYSA-N -1 3 368.416 3.148 20 0 FGADHM Cc1cc([C@H]2CN(Cc3ccc(-c4nnn[n-]4)cc3F)CCO2)ccc1F ZINC000826266727 608172977 /nfs/dbraw/zinc/17/29/77/608172977.db2.gz ZGNFCWRWKAWBNE-GOSISDBHSA-N -1 3 371.391 3.027 20 0 FGADHM Cc1cc([C@H]2CN(Cc3ccc(-c4nn[n-]n4)cc3F)CCO2)ccc1F ZINC000826266727 608172980 /nfs/dbraw/zinc/17/29/80/608172980.db2.gz ZGNFCWRWKAWBNE-GOSISDBHSA-N -1 3 371.391 3.027 20 0 FGADHM O=C(OCc1ccccc1-c1nnn[n-]1)c1cc(F)c(Cl)cc1F ZINC000826466739 608183111 /nfs/dbraw/zinc/18/31/11/608183111.db2.gz QZQPMOYRLCUIJH-UHFFFAOYSA-N -1 3 350.712 3.155 20 0 FGADHM O=C(OCc1ccccc1-c1nn[n-]n1)c1cc(F)c(Cl)cc1F ZINC000826466739 608183112 /nfs/dbraw/zinc/18/31/12/608183112.db2.gz QZQPMOYRLCUIJH-UHFFFAOYSA-N -1 3 350.712 3.155 20 0 FGADHM COc1ccccc1C1(C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826218680 608185988 /nfs/dbraw/zinc/18/59/88/608185988.db2.gz IUBDHDITZSOJKH-ZDUSSCGKSA-N -1 3 364.405 3.211 20 0 FGADHM COc1ccccc1C1(C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826218680 608185989 /nfs/dbraw/zinc/18/59/89/608185989.db2.gz IUBDHDITZSOJKH-ZDUSSCGKSA-N -1 3 364.405 3.211 20 0 FGADHM CSc1nc2ncnc(Sc3cccc(-c4nnn[n-]4)c3)c2s1 ZINC000826231700 608191191 /nfs/dbraw/zinc/19/11/91/608191191.db2.gz WKAGSHUKWXUYGK-UHFFFAOYSA-N -1 3 359.465 3.140 20 0 FGADHM CSc1nc2ncnc(Sc3cccc(-c4nn[n-]n4)c3)c2s1 ZINC000826231700 608191192 /nfs/dbraw/zinc/19/11/92/608191192.db2.gz WKAGSHUKWXUYGK-UHFFFAOYSA-N -1 3 359.465 3.140 20 0 FGADHM CCN(CC(F)(F)F)C(=O)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000825399535 608196919 /nfs/dbraw/zinc/19/69/19/608196919.db2.gz XFAKNPWTNIFTJG-UHFFFAOYSA-N -1 3 368.146 3.198 20 0 FGADHM CCN(CC(F)(F)F)C(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000825399535 608196921 /nfs/dbraw/zinc/19/69/21/608196921.db2.gz XFAKNPWTNIFTJG-UHFFFAOYSA-N -1 3 368.146 3.198 20 0 FGADHM CC[C@H]1CCCCN1C(=O)CSc1cccc(Cl)c1-c1nnn[n-]1 ZINC000825193804 608205815 /nfs/dbraw/zinc/20/58/15/608205815.db2.gz NWLCJTAZOHBURA-NSHDSACASA-N -1 3 365.890 3.403 20 0 FGADHM CC[C@H]1CCCCN1C(=O)CSc1cccc(Cl)c1-c1nn[n-]n1 ZINC000825193804 608205819 /nfs/dbraw/zinc/20/58/19/608205819.db2.gz NWLCJTAZOHBURA-NSHDSACASA-N -1 3 365.890 3.403 20 0 FGADHM C[C@H]1CCCC[C@@H]1NC(=O)CSc1cccc(Cl)c1-c1nnn[n-]1 ZINC000824936488 608205939 /nfs/dbraw/zinc/20/59/39/608205939.db2.gz IABQXDBVMKSIRC-JQWIXIFHSA-N -1 3 365.890 3.307 20 0 FGADHM C[C@H]1CCCC[C@@H]1NC(=O)CSc1cccc(Cl)c1-c1nn[n-]n1 ZINC000824936488 608205940 /nfs/dbraw/zinc/20/59/40/608205940.db2.gz IABQXDBVMKSIRC-JQWIXIFHSA-N -1 3 365.890 3.307 20 0 FGADHM O=C1[C@@H](Sc2cccc(Cl)c2-c2nnn[n-]2)CCN1c1ccccc1 ZINC000826478020 608208012 /nfs/dbraw/zinc/20/80/12/608208012.db2.gz RWXCAHKQLAWNJX-AWEZNQCLSA-N -1 3 371.853 3.418 20 0 FGADHM O=C1[C@@H](Sc2cccc(Cl)c2-c2nn[n-]n2)CCN1c1ccccc1 ZINC000826478020 608208014 /nfs/dbraw/zinc/20/80/14/608208014.db2.gz RWXCAHKQLAWNJX-AWEZNQCLSA-N -1 3 371.853 3.418 20 0 FGADHM OC[C@H](Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccc(Cl)cc1 ZINC000826508467 608240207 /nfs/dbraw/zinc/24/02/07/608240207.db2.gz PVJBCPUPZNYLBH-AWEZNQCLSA-N -1 3 350.209 3.319 20 0 FGADHM OC[C@H](Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc(Cl)cc1 ZINC000826508467 608240208 /nfs/dbraw/zinc/24/02/08/608240208.db2.gz PVJBCPUPZNYLBH-AWEZNQCLSA-N -1 3 350.209 3.319 20 0 FGADHM Fc1cccc([C@H](NCc2ccc(-c3nnn[n-]3)s2)c2ccccn2)c1 ZINC000826376595 608243752 /nfs/dbraw/zinc/24/37/52/608243752.db2.gz KMXOEOQTXHCELI-KRWDZBQOSA-N -1 3 366.425 3.342 20 0 FGADHM Fc1cccc([C@H](NCc2ccc(-c3nn[n-]n3)s2)c2ccccn2)c1 ZINC000826376595 608243753 /nfs/dbraw/zinc/24/37/53/608243753.db2.gz KMXOEOQTXHCELI-KRWDZBQOSA-N -1 3 366.425 3.342 20 0 FGADHM CC[C@H]1CC[C@@H](C)N1C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000825192319 608245980 /nfs/dbraw/zinc/24/59/80/608245980.db2.gz GHZPWRKRTIQNOM-ZBFHGGJFSA-N -1 3 357.458 3.205 20 0 FGADHM CC[C@H]1CC[C@@H](C)N1C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000825192319 608245982 /nfs/dbraw/zinc/24/59/82/608245982.db2.gz GHZPWRKRTIQNOM-ZBFHGGJFSA-N -1 3 357.458 3.205 20 0 FGADHM Cc1cccc([C@@H](NC(=O)c2ccc(-c3nnn[n-]3)cc2)c2ccccn2)c1 ZINC000826296590 608246047 /nfs/dbraw/zinc/24/60/47/608246047.db2.gz BPKZUJWIAHMDFN-LJQANCHMSA-N -1 3 370.416 3.090 20 0 FGADHM Cc1cccc([C@@H](NC(=O)c2ccc(-c3nn[n-]n3)cc2)c2ccccn2)c1 ZINC000826296590 608246050 /nfs/dbraw/zinc/24/60/50/608246050.db2.gz BPKZUJWIAHMDFN-LJQANCHMSA-N -1 3 370.416 3.090 20 0 FGADHM Cc1cccc(C)c1[C@@H](C)OC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000826297185 608249002 /nfs/dbraw/zinc/24/90/02/608249002.db2.gz YGSUUNOSINIDRY-CQSZACIVSA-N -1 3 352.394 3.167 20 0 FGADHM Cc1cccc(C)c1[C@@H](C)OC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000826297185 608249003 /nfs/dbraw/zinc/24/90/03/608249003.db2.gz YGSUUNOSINIDRY-CQSZACIVSA-N -1 3 352.394 3.167 20 0 FGADHM Cc1cccc(C)c1[C@H](C)OC(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000826296940 608249021 /nfs/dbraw/zinc/24/90/21/608249021.db2.gz PEHCGDHFENAXEF-AWEZNQCLSA-N -1 3 352.394 3.167 20 0 FGADHM Cc1cccc(C)c1[C@H](C)OC(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000826296940 608249023 /nfs/dbraw/zinc/24/90/23/608249023.db2.gz PEHCGDHFENAXEF-AWEZNQCLSA-N -1 3 352.394 3.167 20 0 FGADHM O=C(C=Cc1ccc2[nH]ccc2c1)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000826401332 608252647 /nfs/dbraw/zinc/25/26/47/608252647.db2.gz VTTYACGJIMYBKI-KXFIGUGUSA-N -1 3 363.352 3.244 20 0 FGADHM O=C(C=Cc1ccc2[nH]ccc2c1)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000826401332 608252649 /nfs/dbraw/zinc/25/26/49/608252649.db2.gz VTTYACGJIMYBKI-KXFIGUGUSA-N -1 3 363.352 3.244 20 0 FGADHM CC[C@H]1CC[C@@H](C)N1C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC000825191542 608260310 /nfs/dbraw/zinc/26/03/10/608260310.db2.gz BYCCLYBORPMHRN-OCCSQVGLSA-N -1 3 358.446 3.449 20 0 FGADHM CC[C@H]1CC[C@@H](C)N1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC000825191542 608260311 /nfs/dbraw/zinc/26/03/11/608260311.db2.gz BYCCLYBORPMHRN-OCCSQVGLSA-N -1 3 358.446 3.449 20 0 FGADHM CC[C@@H]1CC[C@@H](C)N1C(=O)CSc1nc(C)c(C)c(C)c1-c1nnn[n-]1 ZINC000825191362 608270622 /nfs/dbraw/zinc/27/06/22/608270622.db2.gz ARVKSGKOKNTXML-QMTHXVAHSA-N -1 3 374.514 3.069 20 0 FGADHM CC[C@@H]1CC[C@@H](C)N1C(=O)CSc1nc(C)c(C)c(C)c1-c1nn[n-]n1 ZINC000825191362 608270623 /nfs/dbraw/zinc/27/06/23/608270623.db2.gz ARVKSGKOKNTXML-QMTHXVAHSA-N -1 3 374.514 3.069 20 0 FGADHM COc1ccc(C)cc1CNc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC000826189835 608272051 /nfs/dbraw/zinc/27/20/51/608272051.db2.gz GTXISLUWRHKQEY-UHFFFAOYSA-N -1 3 350.426 3.070 20 0 FGADHM COc1ccc(C)cc1CNc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC000826189835 608272052 /nfs/dbraw/zinc/27/20/52/608272052.db2.gz GTXISLUWRHKQEY-UHFFFAOYSA-N -1 3 350.426 3.070 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1c(F)ccc(C)c1F ZINC000825627190 608278190 /nfs/dbraw/zinc/27/81/90/608278190.db2.gz VUHHPNOUYVRMGU-UHFFFAOYSA-N -1 3 359.336 3.104 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1c(F)ccc(C)c1F ZINC000825627190 608278191 /nfs/dbraw/zinc/27/81/91/608278191.db2.gz VUHHPNOUYVRMGU-UHFFFAOYSA-N -1 3 359.336 3.104 20 0 FGADHM Fc1ccc([C@H]2CCN(c3nc4c(cc3-c3nnn[n-]3)CCCC4)C2)cc1 ZINC000826374366 608295853 /nfs/dbraw/zinc/29/58/53/608295853.db2.gz WRZCLMXEJGXWSF-HNNXBMFYSA-N -1 3 364.428 3.274 20 0 FGADHM Fc1ccc([C@H]2CCN(c3nc4c(cc3-c3nn[n-]n3)CCCC4)C2)cc1 ZINC000826374366 608295855 /nfs/dbraw/zinc/29/58/55/608295855.db2.gz WRZCLMXEJGXWSF-HNNXBMFYSA-N -1 3 364.428 3.274 20 0 FGADHM COC[C@@H](Nc1c(F)cc(-c2nnn[n-]2)cc1F)c1ccc(F)c(F)c1 ZINC000826151421 608297689 /nfs/dbraw/zinc/29/76/89/608297689.db2.gz APZBDYQDVJXIFC-CQSZACIVSA-N -1 3 367.306 3.223 20 0 FGADHM COC[C@@H](Nc1c(F)cc(-c2nn[n-]n2)cc1F)c1ccc(F)c(F)c1 ZINC000826151421 608297690 /nfs/dbraw/zinc/29/76/90/608297690.db2.gz APZBDYQDVJXIFC-CQSZACIVSA-N -1 3 367.306 3.223 20 0 FGADHM Cc1ccc(C(=O)NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)o1 ZINC000826281686 608305569 /nfs/dbraw/zinc/30/55/69/608305569.db2.gz FWTIWCYRKJEVBL-UHFFFAOYSA-N -1 3 359.389 3.365 20 0 FGADHM Cc1ccc(C(=O)NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)o1 ZINC000826281686 608305571 /nfs/dbraw/zinc/30/55/71/608305571.db2.gz FWTIWCYRKJEVBL-UHFFFAOYSA-N -1 3 359.389 3.365 20 0 FGADHM CCN(C(=O)c1ccc(F)c(SC)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825385353 608309417 /nfs/dbraw/zinc/30/94/17/608309417.db2.gz CXDGBWMUDCBPSL-UHFFFAOYSA-N -1 3 357.414 3.394 20 0 FGADHM CCN(C(=O)c1ccc(F)c(SC)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825385353 608309419 /nfs/dbraw/zinc/30/94/19/608309419.db2.gz CXDGBWMUDCBPSL-UHFFFAOYSA-N -1 3 357.414 3.394 20 0 FGADHM CCCN1C(=O)CCc2cc(NCc3ccc(-c4nnn[n-]4)cc3)ccc21 ZINC000825322327 608311417 /nfs/dbraw/zinc/31/14/17/608311417.db2.gz ASMRGLXDJKSXCJ-UHFFFAOYSA-N -1 3 362.437 3.168 20 0 FGADHM CCCN1C(=O)CCc2cc(NCc3ccc(-c4nn[n-]n4)cc3)ccc21 ZINC000825322327 608311418 /nfs/dbraw/zinc/31/14/18/608311418.db2.gz ASMRGLXDJKSXCJ-UHFFFAOYSA-N -1 3 362.437 3.168 20 0 FGADHM CC(C)c1ccc(C[C@H](C)NC(=O)c2sccc2-c2nnn[n-]2)cc1 ZINC000824457252 608314499 /nfs/dbraw/zinc/31/44/99/608314499.db2.gz IEWMGZYXCALKKH-LBPRGKRZSA-N -1 3 355.467 3.413 20 0 FGADHM CC(C)c1ccc(C[C@H](C)NC(=O)c2sccc2-c2nn[n-]n2)cc1 ZINC000824457252 608314500 /nfs/dbraw/zinc/31/45/00/608314500.db2.gz IEWMGZYXCALKKH-LBPRGKRZSA-N -1 3 355.467 3.413 20 0 FGADHM Cc1nn(-c2ccccc2)c(CN2CC[C@@H]2c2ccccc2)c1-c1nnn[n-]1 ZINC000826332553 608315459 /nfs/dbraw/zinc/31/54/59/608315459.db2.gz XIYNGCKWTJJGKU-GOSISDBHSA-N -1 3 371.448 3.308 20 0 FGADHM Cc1nn(-c2ccccc2)c(CN2CC[C@H]2c2ccccc2)c1-c1nnn[n-]1 ZINC000826332554 608315748 /nfs/dbraw/zinc/31/57/48/608315748.db2.gz XIYNGCKWTJJGKU-SFHVURJKSA-N -1 3 371.448 3.308 20 0 FGADHM C[C@@H](CO)CNc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000824440854 608319910 /nfs/dbraw/zinc/31/99/10/608319910.db2.gz JYIUOGSEIISEQC-GFCCVEGCSA-N -1 3 373.844 3.139 20 0 FGADHM C[C@@H](CO)CNc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000824440854 608319912 /nfs/dbraw/zinc/31/99/12/608319912.db2.gz JYIUOGSEIISEQC-GFCCVEGCSA-N -1 3 373.844 3.139 20 0 FGADHM CCCCc1noc(CSCc2ccc(-c3nnn[n-]3)cc2OC)n1 ZINC000825296592 608322030 /nfs/dbraw/zinc/32/20/30/608322030.db2.gz PNNXNMHVPFTGTL-UHFFFAOYSA-N -1 3 360.443 3.034 20 0 FGADHM CCCCc1noc(CSCc2ccc(-c3nn[n-]n3)cc2OC)n1 ZINC000825296592 608322032 /nfs/dbraw/zinc/32/20/32/608322032.db2.gz PNNXNMHVPFTGTL-UHFFFAOYSA-N -1 3 360.443 3.034 20 0 FGADHM O=C(CCn1cccc1)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000826409999 608329647 /nfs/dbraw/zinc/32/96/47/608329647.db2.gz XQERAWDIVGSLIK-UHFFFAOYSA-N -1 3 372.432 3.042 20 0 FGADHM O=C(CCn1cccc1)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000826409999 608329649 /nfs/dbraw/zinc/32/96/49/608329649.db2.gz XQERAWDIVGSLIK-UHFFFAOYSA-N -1 3 372.432 3.042 20 0 FGADHM CCc1cccnc1C(=O)N(CC)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825728043 608344111 /nfs/dbraw/zinc/34/41/11/608344111.db2.gz GKEQCONKEANDRW-UHFFFAOYSA-N -1 3 356.817 3.144 20 0 FGADHM CCc1cccnc1C(=O)N(CC)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825728043 608344112 /nfs/dbraw/zinc/34/41/12/608344112.db2.gz GKEQCONKEANDRW-UHFFFAOYSA-N -1 3 356.817 3.144 20 0 FGADHM CCN(C(=O)C[C@@H](C)c1cccnc1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825367792 608345122 /nfs/dbraw/zinc/34/51/22/608345122.db2.gz WTPUHBCMKMYYKE-GFCCVEGCSA-N -1 3 370.844 3.462 20 0 FGADHM CCN(C(=O)C[C@@H](C)c1cccnc1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825367792 608345123 /nfs/dbraw/zinc/34/51/23/608345123.db2.gz WTPUHBCMKMYYKE-GFCCVEGCSA-N -1 3 370.844 3.462 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)C=C(C)c1ccc(F)cc1 ZINC000826171321 608349076 /nfs/dbraw/zinc/34/90/76/608349076.db2.gz JQABSBXQMLVFPU-XFXZXTDPSA-N -1 3 368.368 3.161 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)C=C(C)c1ccc(F)cc1 ZINC000826171321 608349079 /nfs/dbraw/zinc/34/90/79/608349079.db2.gz JQABSBXQMLVFPU-XFXZXTDPSA-N -1 3 368.368 3.161 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)C(C)=Cc1ccc(F)cc1 ZINC000826170962 608361517 /nfs/dbraw/zinc/36/15/17/608361517.db2.gz WXLHBDPEAPHJRT-XFXZXTDPSA-N -1 3 368.368 3.161 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)C(C)=Cc1ccc(F)cc1 ZINC000826170962 608361518 /nfs/dbraw/zinc/36/15/18/608361518.db2.gz WXLHBDPEAPHJRT-XFXZXTDPSA-N -1 3 368.368 3.161 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1CN1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000826169614 608363114 /nfs/dbraw/zinc/36/31/14/608363114.db2.gz YKBVOLAKPVATIF-QGZVFWFLSA-N -1 3 371.391 3.491 20 0 FGADHM CC(C)n1cnnc1[C@H]1CCCN(c2c(Cl)cccc2-c2nnn[n-]2)C1 ZINC000824377623 608378944 /nfs/dbraw/zinc/37/89/44/608378944.db2.gz IXPSXGCOZKJIEZ-LBPRGKRZSA-N -1 3 372.864 3.077 20 0 FGADHM CC(C)n1cnnc1[C@H]1CCCN(c2c(Cl)cccc2-c2nn[n-]n2)C1 ZINC000824377623 608378946 /nfs/dbraw/zinc/37/89/46/608378946.db2.gz IXPSXGCOZKJIEZ-LBPRGKRZSA-N -1 3 372.864 3.077 20 0 FGADHM CSc1cc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2F)ccc1F ZINC000826230060 608381373 /nfs/dbraw/zinc/38/13/73/608381373.db2.gz BUEBRGJOHBVLOZ-UHFFFAOYSA-N -1 3 362.361 3.224 20 0 FGADHM CSc1cc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2F)ccc1F ZINC000826230060 608381375 /nfs/dbraw/zinc/38/13/75/608381375.db2.gz BUEBRGJOHBVLOZ-UHFFFAOYSA-N -1 3 362.361 3.224 20 0 FGADHM C[C@@H]1CCN(C(=O)c2c(Cl)cc(-c3nnn[n-]3)cc2Cl)C[C@H]1C ZINC000824946436 608383458 /nfs/dbraw/zinc/38/34/58/608383458.db2.gz JJQWFPJOOUQGRD-RKDXNWHRSA-N -1 3 354.241 3.292 20 0 FGADHM C[C@@H]1CCN(C(=O)c2c(Cl)cc(-c3nn[n-]n3)cc2Cl)C[C@H]1C ZINC000824946436 608383463 /nfs/dbraw/zinc/38/34/63/608383463.db2.gz JJQWFPJOOUQGRD-RKDXNWHRSA-N -1 3 354.241 3.292 20 0 FGADHM Fc1ccccc1-n1cnnc1SCc1cccc(-c2nnn[n-]2)c1F ZINC000826377813 608394974 /nfs/dbraw/zinc/39/49/74/608394974.db2.gz GYQGFTVHQIHCSZ-UHFFFAOYSA-N -1 3 371.376 3.018 20 0 FGADHM Fc1ccccc1-n1cnnc1SCc1cccc(-c2nn[n-]n2)c1F ZINC000826377813 608394975 /nfs/dbraw/zinc/39/49/75/608394975.db2.gz GYQGFTVHQIHCSZ-UHFFFAOYSA-N -1 3 371.376 3.018 20 0 FGADHM C[C@H](NC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1)C1CCCC1 ZINC000824491192 608410281 /nfs/dbraw/zinc/41/02/81/608410281.db2.gz SHMAJBYFQAMNPJ-AWEZNQCLSA-N -1 3 366.469 3.244 20 0 FGADHM C[C@H](NC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1)C1CCCC1 ZINC000824491192 608410283 /nfs/dbraw/zinc/41/02/83/608410283.db2.gz SHMAJBYFQAMNPJ-AWEZNQCLSA-N -1 3 366.469 3.244 20 0 FGADHM CC[C@H](C)C[C@@H](C)NC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000825060192 608414968 /nfs/dbraw/zinc/41/49/68/608414968.db2.gz OFXFASKTAZODFF-LSDHHAIUSA-N -1 3 368.485 3.490 20 0 FGADHM CC[C@H](C)C[C@@H](C)NC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825060192 608414971 /nfs/dbraw/zinc/41/49/71/608414971.db2.gz OFXFASKTAZODFF-LSDHHAIUSA-N -1 3 368.485 3.490 20 0 FGADHM O=C(NOC1CCCC1)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826449596 608434643 /nfs/dbraw/zinc/43/46/43/608434643.db2.gz AGIFKVJUBMIRDA-UHFFFAOYSA-N -1 3 365.393 3.263 20 0 FGADHM O=C(CCn1ccc2ccccc21)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826409862 608440648 /nfs/dbraw/zinc/44/06/48/608440648.db2.gz RSEZSBCCYBUKBG-UHFFFAOYSA-N -1 3 365.368 3.094 20 0 FGADHM O=C(CCn1ccc2ccccc21)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826409862 608440650 /nfs/dbraw/zinc/44/06/50/608440650.db2.gz RSEZSBCCYBUKBG-UHFFFAOYSA-N -1 3 365.368 3.094 20 0 FGADHM CC(C)Cc1nc(C(=O)OCc2cccc(-c3nnn[n-]3)c2F)cs1 ZINC000824280055 608443885 /nfs/dbraw/zinc/44/38/85/608443885.db2.gz BWGPWGOZSAWKSL-UHFFFAOYSA-N -1 3 361.402 3.018 20 0 FGADHM CC(C)Cc1nc(C(=O)OCc2cccc(-c3nn[n-]n3)c2F)cs1 ZINC000824280055 608443886 /nfs/dbraw/zinc/44/38/86/608443886.db2.gz BWGPWGOZSAWKSL-UHFFFAOYSA-N -1 3 361.402 3.018 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)CCc1cc2ccccc2[nH]c1=O ZINC000826277740 608448389 /nfs/dbraw/zinc/44/83/89/608448389.db2.gz FHANTGALAKSSPH-UHFFFAOYSA-N -1 3 374.404 3.000 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)CCc1cc2ccccc2[nH]c1=O ZINC000826277740 608448392 /nfs/dbraw/zinc/44/83/92/608448392.db2.gz FHANTGALAKSSPH-UHFFFAOYSA-N -1 3 374.404 3.000 20 0 FGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)[C@H]1C[C@H]1c1cccc(F)c1F ZINC000826465816 608449803 /nfs/dbraw/zinc/44/98/03/608449803.db2.gz DRPDMBWTDUOSRZ-STQMWFEESA-N -1 3 374.322 3.131 20 0 FGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)[C@H]1C[C@H]1c1cccc(F)c1F ZINC000826465816 608449804 /nfs/dbraw/zinc/44/98/04/608449804.db2.gz DRPDMBWTDUOSRZ-STQMWFEESA-N -1 3 374.322 3.131 20 0 FGADHM COc1ccc(Br)c(NCc2cc(-c3nnn[n-]3)cs2)c1 ZINC000826186770 608451247 /nfs/dbraw/zinc/45/12/47/608451247.db2.gz KAIZPKYEUQGXAZ-UHFFFAOYSA-N -1 3 366.244 3.311 20 0 FGADHM COc1ccc(Br)c(NCc2cc(-c3nn[n-]n3)cs2)c1 ZINC000826186770 608451249 /nfs/dbraw/zinc/45/12/49/608451249.db2.gz KAIZPKYEUQGXAZ-UHFFFAOYSA-N -1 3 366.244 3.311 20 0 FGADHM COc1cccc(C(C)=CC(=O)OCc2cccc(-c3nnn[n-]3)c2F)c1 ZINC000826214422 608451230 /nfs/dbraw/zinc/45/12/30/608451230.db2.gz LREANKHAVBYVBQ-FMIVXFBMSA-N -1 3 368.368 3.161 20 0 FGADHM COc1cccc(C(C)=CC(=O)OCc2cccc(-c3nn[n-]n3)c2F)c1 ZINC000826214422 608451232 /nfs/dbraw/zinc/45/12/32/608451232.db2.gz LREANKHAVBYVBQ-FMIVXFBMSA-N -1 3 368.368 3.161 20 0 FGADHM Fc1ccc(F)c(CN2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000826375084 608464808 /nfs/dbraw/zinc/46/48/08/608464808.db2.gz YWFJKDWPHICLIH-UHFFFAOYSA-N -1 3 353.376 3.434 20 0 FGADHM Cc1ccccc1NC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826307771 608469278 /nfs/dbraw/zinc/46/92/78/608469278.db2.gz WHTWUAHSYIRGGD-UHFFFAOYSA-N -1 3 360.421 3.496 20 0 FGADHM Cc1ccccc1NC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826307771 608469279 /nfs/dbraw/zinc/46/92/79/608469279.db2.gz WHTWUAHSYIRGGD-UHFFFAOYSA-N -1 3 360.421 3.496 20 0 FGADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OCCCSC(C)(C)C ZINC000824757252 608476333 /nfs/dbraw/zinc/47/63/33/608476333.db2.gz VBDMLBYYOKVWCJ-LBPRGKRZSA-N -1 3 364.471 3.099 20 0 FGADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)OCCCSC(C)(C)C ZINC000824757252 608476335 /nfs/dbraw/zinc/47/63/35/608476335.db2.gz VBDMLBYYOKVWCJ-LBPRGKRZSA-N -1 3 364.471 3.099 20 0 FGADHM C[C@@H](C(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1)c1ccsc1 ZINC000824040686 608484061 /nfs/dbraw/zinc/48/40/61/608484061.db2.gz SXIYKWCOHLTUOX-CYBMUJFWSA-N -1 3 365.462 3.348 20 0 FGADHM C[C@@H](C(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1)c1ccsc1 ZINC000824040686 608484063 /nfs/dbraw/zinc/48/40/63/608484063.db2.gz SXIYKWCOHLTUOX-CYBMUJFWSA-N -1 3 365.462 3.348 20 0 FGADHM C[C@H](NCc1ccn(-c2cccc(F)c2)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000824627263 608487619 /nfs/dbraw/zinc/48/76/19/608487619.db2.gz VMPBBQLMQRKDID-ZDUSSCGKSA-N -1 3 363.400 3.042 20 0 FGADHM Cc1ccccc1-c1nc(CN[C@H](C)c2cccc(-c3nnn[n-]3)c2)no1 ZINC000826305322 608491332 /nfs/dbraw/zinc/49/13/32/608491332.db2.gz RYPNENQEGFQYBB-CYBMUJFWSA-N -1 3 361.409 3.076 20 0 FGADHM Cc1ccccc1-c1nc(CN[C@H](C)c2cccc(-c3nn[n-]n3)c2)no1 ZINC000826305322 608491333 /nfs/dbraw/zinc/49/13/33/608491333.db2.gz RYPNENQEGFQYBB-CYBMUJFWSA-N -1 3 361.409 3.076 20 0 FGADHM CC[C@@H](NCc1ccc(-c2nn[n-]n2)cc1OC)c1ccc(F)cc1F ZINC000825139998 608535529 /nfs/dbraw/zinc/53/55/29/608535529.db2.gz IGGGAMCMTMPWQH-MRXNPFEDSA-N -1 3 359.380 3.394 20 0 FGADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)Cc1cccc(OC(C)(C)C)n1 ZINC000825961223 608571727 /nfs/dbraw/zinc/57/17/27/608571727.db2.gz CRJJUQJJRZZVJR-UHFFFAOYSA-N -1 3 352.442 3.071 20 0 FGADHM CC[C@](C)(NC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)c1nccs1 ZINC000825043158 608576705 /nfs/dbraw/zinc/57/67/05/608576705.db2.gz FKXIRHRIKDGVAW-HNNXBMFYSA-N -1 3 362.846 3.032 20 0 FGADHM CC[C@](C)(NC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)c1nccs1 ZINC000825043158 608576707 /nfs/dbraw/zinc/57/67/07/608576707.db2.gz FKXIRHRIKDGVAW-HNNXBMFYSA-N -1 3 362.846 3.032 20 0 FGADHM CCOc1cccc([C@@H]2C[C@H]2Nc2nc3c(cc2-c2nnn[n-]2)CCC3)c1 ZINC000825649024 608588946 /nfs/dbraw/zinc/58/89/46/608588946.db2.gz JPPNMRSJJUBSBX-MAUKXSAKSA-N -1 3 362.437 3.117 20 0 FGADHM CCOc1cccc([C@@H]2C[C@H]2Nc2nc3c(cc2-c2nn[n-]n2)CCC3)c1 ZINC000825649024 608588948 /nfs/dbraw/zinc/58/89/48/608588948.db2.gz JPPNMRSJJUBSBX-MAUKXSAKSA-N -1 3 362.437 3.117 20 0 FGADHM Fc1cc(F)cc(CN2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)c1 ZINC000826372735 608603118 /nfs/dbraw/zinc/60/31/18/608603118.db2.gz JLIJZQJMIBQXGR-UHFFFAOYSA-N -1 3 371.391 3.188 20 0 FGADHM COC[C@@H](C)n1c(C)csc1=Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826164370 608753918 /nfs/dbraw/zinc/75/39/18/608753918.db2.gz VCHSHVQFFVWFQC-SECBINFHSA-N -1 3 364.862 3.131 20 0 FGADHM COC[C@@H](C)n1c(C)csc1=Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826164370 608753920 /nfs/dbraw/zinc/75/39/20/608753920.db2.gz VCHSHVQFFVWFQC-SECBINFHSA-N -1 3 364.862 3.131 20 0 FGADHM CC(C)C[C@@H](C)Oc1cc(CNc2cnccc2-c2nnn[n-]2)ccn1 ZINC000824228003 608783358 /nfs/dbraw/zinc/78/33/58/608783358.db2.gz CULZWLFFYLZONP-CYBMUJFWSA-N -1 3 353.430 3.082 20 0 FGADHM CC(C)C[C@@H](C)Oc1cc(CNc2cnccc2-c2nn[n-]n2)ccn1 ZINC000824228003 608783359 /nfs/dbraw/zinc/78/33/59/608783359.db2.gz CULZWLFFYLZONP-CYBMUJFWSA-N -1 3 353.430 3.082 20 0 FGADHM CC(C)COc1ncccc1C(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000824271552 608819098 /nfs/dbraw/zinc/81/90/98/608819098.db2.gz OXNAWTAPTDBSDE-CYBMUJFWSA-N -1 3 367.409 3.215 20 0 FGADHM CC(C)COc1ncccc1C(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000824271552 608819099 /nfs/dbraw/zinc/81/90/99/608819099.db2.gz OXNAWTAPTDBSDE-CYBMUJFWSA-N -1 3 367.409 3.215 20 0 FGADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)O[C@@H](C1CCCCC1)C(F)(F)F ZINC000826422191 608826271 /nfs/dbraw/zinc/82/62/71/608826271.db2.gz PSDGZZYSYGNOHQ-HNNXBMFYSA-N -1 3 368.359 3.464 20 0 FGADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)O[C@@H](C1CCCCC1)C(F)(F)F ZINC000826422191 608826274 /nfs/dbraw/zinc/82/62/74/608826274.db2.gz PSDGZZYSYGNOHQ-HNNXBMFYSA-N -1 3 368.359 3.464 20 0 FGADHM Fc1cc(CN2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)ccc1Cl ZINC000826372135 608854362 /nfs/dbraw/zinc/85/43/62/608854362.db2.gz JKVLBUIGRYIVJZ-KRWDZBQOSA-N -1 3 373.819 3.233 20 0 FGADHM Fc1cc(CN2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)ccc1Cl ZINC000826372135 608854366 /nfs/dbraw/zinc/85/43/66/608854366.db2.gz JKVLBUIGRYIVJZ-KRWDZBQOSA-N -1 3 373.819 3.233 20 0 FGADHM O=C(Nc1ccc(CO)cc1)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000826453613 608874753 /nfs/dbraw/zinc/87/47/53/608874753.db2.gz RMRLBYVZONNFNZ-UHFFFAOYSA-N -1 3 371.400 3.278 20 0 FGADHM O=C(Nc1ccc(CO)cc1)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000826453613 608874756 /nfs/dbraw/zinc/87/47/56/608874756.db2.gz RMRLBYVZONNFNZ-UHFFFAOYSA-N -1 3 371.400 3.278 20 0 FGADHM CCCCOc1ncccc1CN[C@H](C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000825296258 609137222 /nfs/dbraw/zinc/13/72/22/609137222.db2.gz ATHVIRVRYMNTLI-CYBMUJFWSA-N -1 3 370.432 3.431 20 0 FGADHM CCCCOc1ncccc1CN[C@H](C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000825296258 609137223 /nfs/dbraw/zinc/13/72/23/609137223.db2.gz ATHVIRVRYMNTLI-CYBMUJFWSA-N -1 3 370.432 3.431 20 0 FGADHM CCc1ccc([C@@H](COC)N[C@@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)o1 ZINC000825704055 609146933 /nfs/dbraw/zinc/14/69/33/609146933.db2.gz BWHDANWCJDCURG-MEDUHNTESA-N -1 3 359.405 3.200 20 0 FGADHM CCc1ccc([C@@H](COC)N[C@@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)o1 ZINC000825704055 609146936 /nfs/dbraw/zinc/14/69/36/609146936.db2.gz BWHDANWCJDCURG-MEDUHNTESA-N -1 3 359.405 3.200 20 0 FGADHM Cc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)nn1[C@H](C)C1CC1 ZINC000826260291 609149315 /nfs/dbraw/zinc/14/93/15/609149315.db2.gz GQZBKISGZXOLJJ-SNVBAGLBSA-N -1 3 371.832 3.248 20 0 FGADHM Cc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)nn1[C@H](C)C1CC1 ZINC000826260291 609149317 /nfs/dbraw/zinc/14/93/17/609149317.db2.gz GQZBKISGZXOLJJ-SNVBAGLBSA-N -1 3 371.832 3.248 20 0 FGADHM COc1cccc(CCC(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000826216096 609154946 /nfs/dbraw/zinc/15/49/46/609154946.db2.gz KNKFPIDEJLUGMA-UHFFFAOYSA-N -1 3 372.812 3.205 20 0 FGADHM COc1cccc(CCC(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000826216096 609154947 /nfs/dbraw/zinc/15/49/47/609154947.db2.gz KNKFPIDEJLUGMA-UHFFFAOYSA-N -1 3 372.812 3.205 20 0 FGADHM C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000824908937 609159396 /nfs/dbraw/zinc/15/93/96/609159396.db2.gz RUHYLZOSLQLVDW-BDAKNGLRSA-N -1 3 372.326 3.201 20 0 FGADHM C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000824908937 609159397 /nfs/dbraw/zinc/15/93/97/609159397.db2.gz RUHYLZOSLQLVDW-BDAKNGLRSA-N -1 3 372.326 3.201 20 0 FGADHM Cc1nc2c(s1)[C@H](NC(=O)Nc1cccc(-c3nnn[n-]3)c1C)CCC2 ZINC000826328441 609160244 /nfs/dbraw/zinc/16/02/44/609160244.db2.gz RHFRLSRZIOWCCR-CQSZACIVSA-N -1 3 369.454 3.139 20 0 FGADHM Cc1nc2c(s1)[C@H](NC(=O)Nc1cccc(-c3nn[n-]n3)c1C)CCC2 ZINC000826328441 609160246 /nfs/dbraw/zinc/16/02/46/609160246.db2.gz RHFRLSRZIOWCCR-CQSZACIVSA-N -1 3 369.454 3.139 20 0 FGADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)c2ccc(C)nc2)c1-c1nnn[n-]1 ZINC000826282206 609165366 /nfs/dbraw/zinc/16/53/66/609165366.db2.gz CTNMYBUHNVNSFQ-UHFFFAOYSA-N -1 3 373.420 3.230 20 0 FGADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)c2ccc(C)nc2)c1-c1nn[n-]n1 ZINC000826282206 609165367 /nfs/dbraw/zinc/16/53/67/609165367.db2.gz CTNMYBUHNVNSFQ-UHFFFAOYSA-N -1 3 373.420 3.230 20 0 FGADHM COCCOCc1cccc(N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000826160849 609176398 /nfs/dbraw/zinc/17/63/98/609176398.db2.gz JLKBIKVHUALLGE-AWEZNQCLSA-N -1 3 353.426 3.203 20 0 FGADHM COCCOCc1cccc(N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000826160849 609176401 /nfs/dbraw/zinc/17/64/01/609176401.db2.gz JLKBIKVHUALLGE-AWEZNQCLSA-N -1 3 353.426 3.203 20 0 FGADHM Fc1ccc(Br)cc1OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826373489 609182488 /nfs/dbraw/zinc/18/24/88/609182488.db2.gz NXQXNSIKOHIFFW-UHFFFAOYSA-N -1 3 367.153 3.486 20 0 FGADHM Fc1ccc(Br)cc1OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826373489 609182490 /nfs/dbraw/zinc/18/24/90/609182490.db2.gz NXQXNSIKOHIFFW-UHFFFAOYSA-N -1 3 367.153 3.486 20 0 FGADHM C[C@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1c(Cl)ccc(F)c1Cl ZINC000824506259 609199250 /nfs/dbraw/zinc/19/92/50/609199250.db2.gz NBWJYMPEVRTJMO-LURJTMIESA-N -1 3 369.187 3.132 20 0 FGADHM C[C@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1c(Cl)ccc(F)c1Cl ZINC000824506259 609199252 /nfs/dbraw/zinc/19/92/52/609199252.db2.gz NBWJYMPEVRTJMO-LURJTMIESA-N -1 3 369.187 3.132 20 0 FGADHM Cn1c(Cl)nc(Cl)c1CNc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826355470 609199878 /nfs/dbraw/zinc/19/98/78/609199878.db2.gz BAXIYGWASTVEPC-UHFFFAOYSA-N -1 3 358.620 3.173 20 0 FGADHM Cn1c(Cl)nc(Cl)c1CNc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826355470 609199880 /nfs/dbraw/zinc/19/98/80/609199880.db2.gz BAXIYGWASTVEPC-UHFFFAOYSA-N -1 3 358.620 3.173 20 0 FGADHM C[C@@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1ccccc1Oc1ccccc1 ZINC000824513698 609206239 /nfs/dbraw/zinc/20/62/39/609206239.db2.gz GEXNXXJCFFIEJI-CYBMUJFWSA-N -1 3 374.404 3.478 20 0 FGADHM C[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccccc1Oc1ccccc1 ZINC000824513698 609206240 /nfs/dbraw/zinc/20/62/40/609206240.db2.gz GEXNXXJCFFIEJI-CYBMUJFWSA-N -1 3 374.404 3.478 20 0 FGADHM COc1ccc(N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1NC(C)=O ZINC000826210567 609237760 /nfs/dbraw/zinc/23/77/60/609237760.db2.gz WTMLDTHGRYCXDP-LLVKDONJSA-N -1 3 352.398 3.007 20 0 FGADHM COc1ccc(N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1NC(C)=O ZINC000826210567 609237762 /nfs/dbraw/zinc/23/77/62/609237762.db2.gz WTMLDTHGRYCXDP-LLVKDONJSA-N -1 3 352.398 3.007 20 0 FGADHM CC[C@@H](C)C[C@@H](CC)Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1 ZINC000825059395 609242135 /nfs/dbraw/zinc/24/21/35/609242135.db2.gz FEMMXBWVQRYPRH-HUUCEWRRSA-N -1 3 372.517 3.455 20 0 FGADHM CC[C@@H](C)C[C@@H](CC)Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1 ZINC000825059395 609242136 /nfs/dbraw/zinc/24/21/36/609242136.db2.gz FEMMXBWVQRYPRH-HUUCEWRRSA-N -1 3 372.517 3.455 20 0 FGADHM O=C(Oc1cc(Br)ccc1F)c1sccc1-c1nnn[n-]1 ZINC000826468302 609252322 /nfs/dbraw/zinc/25/23/22/609252322.db2.gz KOZOUJKUVQBQLD-UHFFFAOYSA-N -1 3 369.175 3.049 20 0 FGADHM C[C@H](Nc1cc(N2CCCC2=O)ccc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000824650990 609254347 /nfs/dbraw/zinc/25/43/47/609254347.db2.gz WQYAROVABCZWHN-LBPRGKRZSA-N -1 3 366.400 3.306 20 0 FGADHM C[C@H](Nc1cc(N2CCCC2=O)ccc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000824650990 609254348 /nfs/dbraw/zinc/25/43/48/609254348.db2.gz WQYAROVABCZWHN-LBPRGKRZSA-N -1 3 366.400 3.306 20 0 FGADHM CC(=O)Nc1ccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)cc1C ZINC000823999848 609266754 /nfs/dbraw/zinc/26/67/54/609266754.db2.gz JIRREOOUKRLLMQ-NSHDSACASA-N -1 3 354.389 3.446 20 0 FGADHM CC(=O)Nc1ccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)cc1C ZINC000823999848 609266756 /nfs/dbraw/zinc/26/67/56/609266756.db2.gz JIRREOOUKRLLMQ-NSHDSACASA-N -1 3 354.389 3.446 20 0 FGADHM c1cc(-c2nnn[n-]2)sc1CNc1ccc(Oc2cccnc2)nc1 ZINC000826525822 609268393 /nfs/dbraw/zinc/26/83/93/609268393.db2.gz AMMCPHNZIOOWGB-UHFFFAOYSA-N -1 3 351.395 3.123 20 0 FGADHM CCNC(=O)c1ccc(C)c(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000825476497 609274016 /nfs/dbraw/zinc/27/40/16/609274016.db2.gz LSGLZZHTABVXPP-CYBMUJFWSA-N -1 3 350.426 3.098 20 0 FGADHM CCNC(=O)c1ccc(C)c(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000825476497 609274018 /nfs/dbraw/zinc/27/40/18/609274018.db2.gz LSGLZZHTABVXPP-CYBMUJFWSA-N -1 3 350.426 3.098 20 0 FGADHM C[C@@H](Nc1ccc2oc(N(C)C)nc2c1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824662505 609280131 /nfs/dbraw/zinc/28/01/31/609280131.db2.gz LUOOGDNKRYPAOD-SNVBAGLBSA-N -1 3 367.388 3.386 20 0 FGADHM C[C@@H](Nc1ccc2oc(N(C)C)nc2c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824662505 609280132 /nfs/dbraw/zinc/28/01/32/609280132.db2.gz LUOOGDNKRYPAOD-SNVBAGLBSA-N -1 3 367.388 3.386 20 0 FGADHM Cc1ccc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1C(=O)N(C)C ZINC000826291631 609280509 /nfs/dbraw/zinc/28/05/09/609280509.db2.gz OLYMFJTXTSYHEF-CYBMUJFWSA-N -1 3 350.426 3.050 20 0 FGADHM Cc1ccc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1C(=O)N(C)C ZINC000826291631 609280511 /nfs/dbraw/zinc/28/05/11/609280511.db2.gz OLYMFJTXTSYHEF-CYBMUJFWSA-N -1 3 350.426 3.050 20 0 FGADHM Cc1c(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)cnn1C1CCCCC1 ZINC000826242550 609282420 /nfs/dbraw/zinc/28/24/20/609282420.db2.gz UCFRBKADGZNWJU-UHFFFAOYSA-N -1 3 365.441 3.438 20 0 FGADHM Cc1c(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)cnn1C1CCCCC1 ZINC000826242550 609282422 /nfs/dbraw/zinc/28/24/22/609282422.db2.gz UCFRBKADGZNWJU-UHFFFAOYSA-N -1 3 365.441 3.438 20 0 FGADHM CCN(CCc1ccccc1)C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000825424831 609289758 /nfs/dbraw/zinc/28/97/58/609289758.db2.gz RRGCASDCDSFILK-UHFFFAOYSA-N -1 3 355.829 3.225 20 0 FGADHM CCN(CCc1ccccc1)C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000825424831 609289759 /nfs/dbraw/zinc/28/97/59/609289759.db2.gz RRGCASDCDSFILK-UHFFFAOYSA-N -1 3 355.829 3.225 20 0 FGADHM CSc1ccccc1CN1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826231495 609296140 /nfs/dbraw/zinc/29/61/40/609296140.db2.gz NLOJOPOONSGIMV-QGZVFWFLSA-N -1 3 367.478 3.162 20 0 FGADHM CCN(C(=O)C=Cc1ccc(C)nc1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367437 609298523 /nfs/dbraw/zinc/29/85/23/609298523.db2.gz PXGYBYPPNVQBPU-XCHKQJEOSA-N -1 3 362.437 3.193 20 0 FGADHM CCN(C(=O)C=Cc1ccc(C)nc1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367437 609298525 /nfs/dbraw/zinc/29/85/25/609298525.db2.gz PXGYBYPPNVQBPU-XCHKQJEOSA-N -1 3 362.437 3.193 20 0 FGADHM CC[C@@H](NC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)c1nc(C)cs1 ZINC000825133067 609299689 /nfs/dbraw/zinc/29/96/89/609299689.db2.gz IJGWZXWKOURYOS-GFCCVEGCSA-N -1 3 362.846 3.166 20 0 FGADHM CC[C@@H](NC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)c1nc(C)cs1 ZINC000825133067 609299690 /nfs/dbraw/zinc/29/96/90/609299690.db2.gz IJGWZXWKOURYOS-GFCCVEGCSA-N -1 3 362.846 3.166 20 0 FGADHM O=C(c1ccc(Cl)c(-c2nnn[n-]2)c1)N1CC[C@H](Cc2ccccc2)C1 ZINC000826473163 609300684 /nfs/dbraw/zinc/30/06/84/609300684.db2.gz MWULNNWIAVGTGP-CQSZACIVSA-N -1 3 367.840 3.225 20 0 FGADHM O=C(c1ccc(Cl)c(-c2nn[n-]n2)c1)N1CC[C@H](Cc2ccccc2)C1 ZINC000826473163 609300686 /nfs/dbraw/zinc/30/06/86/609300686.db2.gz MWULNNWIAVGTGP-CQSZACIVSA-N -1 3 367.840 3.225 20 0 FGADHM Cc1nnc(SCC(=O)c2ccc(C(C)C)cc2)c(-c2nnn[n-]2)c1C ZINC000826336891 609305934 /nfs/dbraw/zinc/30/59/34/609305934.db2.gz SRXNLICTLSGRRT-UHFFFAOYSA-N -1 3 368.466 3.372 20 0 FGADHM Cc1nnc(SCC(=O)c2ccc(C(C)C)cc2)c(-c2nn[n-]n2)c1C ZINC000826336891 609305936 /nfs/dbraw/zinc/30/59/36/609305936.db2.gz SRXNLICTLSGRRT-UHFFFAOYSA-N -1 3 368.466 3.372 20 0 FGADHM Cc1nnc(SCc2ccccc2OC(F)F)c(-c2nnn[n-]2)c1C ZINC000826337151 609307244 /nfs/dbraw/zinc/30/72/44/609307244.db2.gz DMUUKBLISBKKFB-UHFFFAOYSA-N -1 3 364.381 3.167 20 0 FGADHM Cc1nnc(SCc2ccccc2OC(F)F)c(-c2nn[n-]n2)c1C ZINC000826337151 609307245 /nfs/dbraw/zinc/30/72/45/609307245.db2.gz DMUUKBLISBKKFB-UHFFFAOYSA-N -1 3 364.381 3.167 20 0 FGADHM Cc1cc(CNc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)c(C)o1 ZINC000826267195 609320411 /nfs/dbraw/zinc/32/04/11/609320411.db2.gz VYRUVQHJUJFGCW-UHFFFAOYSA-N -1 3 353.361 3.013 20 0 FGADHM COc1ccc(OC)c([C@@H](C)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000826211026 609324028 /nfs/dbraw/zinc/32/40/28/609324028.db2.gz MTBVCHSFGUEHAB-NWDGAFQWSA-N -1 3 371.416 3.435 20 0 FGADHM CN(C[C@@H]1CCCC[C@@H]1O)c1c(-c2nnn[n-]2)cnc2ccc(Cl)cc21 ZINC000825908358 609324037 /nfs/dbraw/zinc/32/40/37/609324037.db2.gz GVSSAAIQRJQSEW-ZBEGNZNMSA-N -1 3 372.860 3.056 20 0 FGADHM CN(C[C@@H]1CCCC[C@@H]1O)c1c(-c2nn[n-]n2)cnc2ccc(Cl)cc21 ZINC000825908358 609324039 /nfs/dbraw/zinc/32/40/39/609324039.db2.gz GVSSAAIQRJQSEW-ZBEGNZNMSA-N -1 3 372.860 3.056 20 0 FGADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OCCc1ccc(F)c(F)c1 ZINC000826167534 609325905 /nfs/dbraw/zinc/32/59/05/609325905.db2.gz IFNIIGUNNBRZGA-UHFFFAOYSA-N -1 3 366.755 3.428 20 0 FGADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OCCc1ccc(F)c(F)c1 ZINC000826167534 609325907 /nfs/dbraw/zinc/32/59/07/609325907.db2.gz IFNIIGUNNBRZGA-UHFFFAOYSA-N -1 3 366.755 3.428 20 0 FGADHM CC[C@@H](C)n1nc(C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000825081130 609326823 /nfs/dbraw/zinc/32/68/23/609326823.db2.gz GPQQJTIYXBZVKV-DGCLKSJQSA-N -1 3 354.414 3.261 20 0 FGADHM CC[C@@H](C)n1nc(C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000825081130 609326825 /nfs/dbraw/zinc/32/68/25/609326825.db2.gz GPQQJTIYXBZVKV-DGCLKSJQSA-N -1 3 354.414 3.261 20 0 FGADHM COCCOc1cccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000826163498 609346349 /nfs/dbraw/zinc/34/63/49/609346349.db2.gz XGRWOSSKZGAPIW-LBPRGKRZSA-N -1 3 357.389 3.204 20 0 FGADHM COCCOc1cccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000826163498 609346351 /nfs/dbraw/zinc/34/63/51/609346351.db2.gz XGRWOSSKZGAPIW-LBPRGKRZSA-N -1 3 357.389 3.204 20 0 FGADHM COc1ccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2F)c(OC)c1OC ZINC000826210663 609348226 /nfs/dbraw/zinc/34/82/26/609348226.db2.gz ZRMXFRBUIIBYKS-JTQLQIEISA-N -1 3 373.388 3.205 20 0 FGADHM COc1ccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2F)c(OC)c1OC ZINC000826210663 609348227 /nfs/dbraw/zinc/34/82/27/609348227.db2.gz ZRMXFRBUIIBYKS-JTQLQIEISA-N -1 3 373.388 3.205 20 0 FGADHM C[C@@H](Nc1cccc(C(=O)NC2CC2)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824662650 609349236 /nfs/dbraw/zinc/34/92/36/609349236.db2.gz OYTJMNAMRZYOKB-LLVKDONJSA-N -1 3 366.400 3.071 20 0 FGADHM C[C@@H](Nc1cccc(C(=O)NC2CC2)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824662650 609349238 /nfs/dbraw/zinc/34/92/38/609349238.db2.gz OYTJMNAMRZYOKB-LLVKDONJSA-N -1 3 366.400 3.071 20 0 FGADHM C[C@@H]1CC[C@@]2(CCN(C(=O)Nc3cc(-c4nnn[n-]4)cn3C(C)(C)C)C2)C1 ZINC000824919161 609377351 /nfs/dbraw/zinc/37/73/51/609377351.db2.gz SGAMUFCBVICJNE-BFUOFWGJSA-N -1 3 371.489 3.467 20 0 FGADHM C[C@@H]1CC[C@@]2(CCN(C(=O)Nc3cc(-c4nn[n-]n4)cn3C(C)(C)C)C2)C1 ZINC000824919161 609377354 /nfs/dbraw/zinc/37/73/54/609377354.db2.gz SGAMUFCBVICJNE-BFUOFWGJSA-N -1 3 371.489 3.467 20 0 FGADHM CC(C)[C@@H]1C[C@H](CC(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)CCO1 ZINC000824216358 609379948 /nfs/dbraw/zinc/37/99/48/609379948.db2.gz QEFMNYNTRIMUQP-HIFRSBDPSA-N -1 3 374.489 3.203 20 0 FGADHM CC(C)[C@@H]1C[C@H](CC(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)CCO1 ZINC000824216358 609379949 /nfs/dbraw/zinc/37/99/49/609379949.db2.gz QEFMNYNTRIMUQP-HIFRSBDPSA-N -1 3 374.489 3.203 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H](F)Cc1ccccc1 ZINC000825332812 609382999 /nfs/dbraw/zinc/38/29/99/609382999.db2.gz MLPNFCAKCKOAST-OAHLLOKOSA-N -1 3 368.416 3.208 20 0 FGADHM COc1cc(Br)ccc1CNc1cccc(-c2nnn[n-]2)c1 ZINC000826177089 609407882 /nfs/dbraw/zinc/40/78/82/609407882.db2.gz QWIHJTVZERYTDX-UHFFFAOYSA-N -1 3 360.215 3.250 20 0 FGADHM COc1cc(Br)ccc1CNc1cccc(-c2nn[n-]n2)c1 ZINC000826177089 609407885 /nfs/dbraw/zinc/40/78/85/609407885.db2.gz QWIHJTVZERYTDX-UHFFFAOYSA-N -1 3 360.215 3.250 20 0 FGADHM COc1ccc2c(c1)C[C@H](C)N(C(=O)c1sccc1-c1nnn[n-]1)[C@H]2C ZINC000826212382 609408190 /nfs/dbraw/zinc/40/81/90/609408190.db2.gz OQNUIWPJOCVAEV-QWRGUYRKSA-N -1 3 369.450 3.085 20 0 FGADHM COc1ccc2c(c1)C[C@H](C)N(C(=O)c1sccc1-c1nn[n-]n1)[C@H]2C ZINC000826212382 609408192 /nfs/dbraw/zinc/40/81/92/609408192.db2.gz OQNUIWPJOCVAEV-QWRGUYRKSA-N -1 3 369.450 3.085 20 0 FGADHM Fc1ccc(-c2nnc(SCc3ccccc3-c3nnn[n-]3)o2)cc1 ZINC000826372900 609414587 /nfs/dbraw/zinc/41/45/87/609414587.db2.gz QLZLHCJJOVQKFE-UHFFFAOYSA-N -1 3 354.370 3.348 20 0 FGADHM Fc1ccc(-c2nnc(SCc3ccccc3-c3nn[n-]n3)o2)cc1 ZINC000826372900 609414588 /nfs/dbraw/zinc/41/45/88/609414588.db2.gz QLZLHCJJOVQKFE-UHFFFAOYSA-N -1 3 354.370 3.348 20 0 FGADHM O=C1[C@H](Nc2ccc(C3CC3)cc2)CCCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000826478033 609417349 /nfs/dbraw/zinc/41/73/49/609417349.db2.gz SGUIINAUTHEJKW-LJQANCHMSA-N -1 3 374.448 3.352 20 0 FGADHM O=C1[C@H](Nc2ccc(C3CC3)cc2)CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826478033 609417351 /nfs/dbraw/zinc/41/73/51/609417351.db2.gz SGUIINAUTHEJKW-LJQANCHMSA-N -1 3 374.448 3.352 20 0 FGADHM CCOc1cc(Cl)ccc1C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825615789 609425129 /nfs/dbraw/zinc/42/51/29/609425129.db2.gz KVLOVSVZZBYXQD-NSHDSACASA-N -1 3 371.828 3.410 20 0 FGADHM CCOc1cc(Cl)ccc1C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825615789 609425131 /nfs/dbraw/zinc/42/51/31/609425131.db2.gz KVLOVSVZZBYXQD-NSHDSACASA-N -1 3 371.828 3.410 20 0 FGADHM CC(C)(C)Oc1ccc(CNc2ncc(-c3nnn[n-]3)cc2Cl)cn1 ZINC000824123310 609431414 /nfs/dbraw/zinc/43/14/14/609431414.db2.gz DCIGFHQTHLQBRP-UHFFFAOYSA-N -1 3 359.821 3.100 20 0 FGADHM CC(C)(C)Oc1ccc(CNc2ncc(-c3nn[n-]n3)cc2Cl)cn1 ZINC000824123310 609431417 /nfs/dbraw/zinc/43/14/17/609431417.db2.gz DCIGFHQTHLQBRP-UHFFFAOYSA-N -1 3 359.821 3.100 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NCc1nn(-c2ccccc2)c2c1CCC2 ZINC000826278716 609437941 /nfs/dbraw/zinc/43/79/41/609437941.db2.gz PISPMNOAWZKISM-UHFFFAOYSA-N -1 3 371.448 3.462 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NCc1nn(-c2ccccc2)c2c1CCC2 ZINC000826278716 609437943 /nfs/dbraw/zinc/43/79/43/609437943.db2.gz PISPMNOAWZKISM-UHFFFAOYSA-N -1 3 371.448 3.462 20 0 FGADHM CCCNC(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825332608 609441366 /nfs/dbraw/zinc/44/13/66/609441366.db2.gz JUYWPHSTNWPRGW-ZDUSSCGKSA-N -1 3 350.426 3.304 20 0 FGADHM CCCNC(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825332608 609441367 /nfs/dbraw/zinc/44/13/67/609441367.db2.gz JUYWPHSTNWPRGW-ZDUSSCGKSA-N -1 3 350.426 3.304 20 0 FGADHM O=C(Nc1ccccc1COc1ccccc1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826457884 609442716 /nfs/dbraw/zinc/44/27/16/609442716.db2.gz UTBDGFFZVINBIR-UHFFFAOYSA-N -1 3 360.377 3.026 20 0 FGADHM O=C(Nc1ccccc1COc1ccccc1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826457884 609442718 /nfs/dbraw/zinc/44/27/18/609442718.db2.gz UTBDGFFZVINBIR-UHFFFAOYSA-N -1 3 360.377 3.026 20 0 FGADHM CC(C)NC(=S)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824305427 609443740 /nfs/dbraw/zinc/44/37/40/609443740.db2.gz PRMHYDJKPVFZQX-ZDUSSCGKSA-N -1 3 366.494 3.467 20 0 FGADHM CC(C)NC(=S)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824305427 609443741 /nfs/dbraw/zinc/44/37/41/609443741.db2.gz PRMHYDJKPVFZQX-ZDUSSCGKSA-N -1 3 366.494 3.467 20 0 FGADHM C[C@@H]1CN(C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)[C@H]2CCCC[C@@H]12 ZINC000824975787 609454218 /nfs/dbraw/zinc/45/42/18/609454218.db2.gz LHIMOYUOEHFYTP-SNPRPXQTSA-N -1 3 371.489 3.466 20 0 FGADHM C[C@@H]1CN(C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)[C@H]2CCCC[C@@H]12 ZINC000824975787 609454219 /nfs/dbraw/zinc/45/42/19/609454219.db2.gz LHIMOYUOEHFYTP-SNPRPXQTSA-N -1 3 371.489 3.466 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NCc1ccc(OCC)c(OC)c1 ZINC000825632273 609477471 /nfs/dbraw/zinc/47/74/71/609477471.db2.gz NTFQOBHZFIVQQB-UHFFFAOYSA-N -1 3 369.425 3.285 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NCc1ccc(OCC)c(OC)c1 ZINC000825632273 609477473 /nfs/dbraw/zinc/47/74/73/609477473.db2.gz NTFQOBHZFIVQQB-UHFFFAOYSA-N -1 3 369.425 3.285 20 0 FGADHM Cc1ccnc(-c2cccc(NCc3cccc(-c4nnn[n-]4)c3F)c2)n1 ZINC000826308484 609479395 /nfs/dbraw/zinc/47/93/95/609479395.db2.gz BJJMEUVRZAFRQR-UHFFFAOYSA-N -1 3 361.384 3.383 20 0 FGADHM Cc1ccnc(-c2cccc(NCc3cccc(-c4nn[n-]n4)c3F)c2)n1 ZINC000826308484 609479397 /nfs/dbraw/zinc/47/93/97/609479397.db2.gz BJJMEUVRZAFRQR-UHFFFAOYSA-N -1 3 361.384 3.383 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NCc1nc2ccc(Cl)cc2n1C ZINC000826186991 609481818 /nfs/dbraw/zinc/48/18/18/609481818.db2.gz UEBGZGPWDPEBNR-UHFFFAOYSA-N -1 3 369.816 3.028 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NCc1nc2ccc(Cl)cc2n1C ZINC000826186991 609481820 /nfs/dbraw/zinc/48/18/20/609481820.db2.gz UEBGZGPWDPEBNR-UHFFFAOYSA-N -1 3 369.816 3.028 20 0 FGADHM Fc1cc(NC2CCOCC2)ccc1OCc1cccc(-c2nnn[n-]2)c1 ZINC000826372806 609484611 /nfs/dbraw/zinc/48/46/11/609484611.db2.gz MKZXBRAFLZAEAH-UHFFFAOYSA-N -1 3 369.400 3.176 20 0 FGADHM Fc1cc(NC2CCOCC2)ccc1OCc1cccc(-c2nn[n-]n2)c1 ZINC000826372806 609484614 /nfs/dbraw/zinc/48/46/14/609484614.db2.gz MKZXBRAFLZAEAH-UHFFFAOYSA-N -1 3 369.400 3.176 20 0 FGADHM CCn1c(SCc2cccc(-c3nnn[n-]3)c2)nnc1-c1ccccc1 ZINC000825796939 609485498 /nfs/dbraw/zinc/48/54/98/609485498.db2.gz QORSUONPPJVEPY-UHFFFAOYSA-N -1 3 363.450 3.437 20 0 FGADHM CCn1c(SCc2cccc(-c3nn[n-]n3)c2)nnc1-c1ccccc1 ZINC000825796939 609485500 /nfs/dbraw/zinc/48/55/00/609485500.db2.gz QORSUONPPJVEPY-UHFFFAOYSA-N -1 3 363.450 3.437 20 0 FGADHM COCCOc1ccc(-c2nnn[n-]2)cc1NCc1cccc(Cl)c1 ZINC000826162491 609485878 /nfs/dbraw/zinc/48/58/78/609485878.db2.gz DTYXKESUCZMIRX-UHFFFAOYSA-N -1 3 359.817 3.157 20 0 FGADHM COCCOc1ccc(-c2nn[n-]n2)cc1NCc1cccc(Cl)c1 ZINC000826162491 609485880 /nfs/dbraw/zinc/48/58/80/609485880.db2.gz DTYXKESUCZMIRX-UHFFFAOYSA-N -1 3 359.817 3.157 20 0 FGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H](C)c1ccccc1 ZINC000824319692 609491452 /nfs/dbraw/zinc/49/14/52/609491452.db2.gz YVMMJYUCUJFSPK-CYBMUJFWSA-N -1 3 351.410 3.396 20 0 FGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H](C)c1ccccc1 ZINC000824319692 609491455 /nfs/dbraw/zinc/49/14/55/609491455.db2.gz YVMMJYUCUJFSPK-CYBMUJFWSA-N -1 3 351.410 3.396 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1CSc1nc2nc(C)ccc2o1 ZINC000826173532 609491706 /nfs/dbraw/zinc/49/17/06/609491706.db2.gz ILALJEZEQONQEC-UHFFFAOYSA-N -1 3 354.395 3.012 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1CSc1nc2nc(C)ccc2o1 ZINC000826173532 609491708 /nfs/dbraw/zinc/49/17/08/609491708.db2.gz ILALJEZEQONQEC-UHFFFAOYSA-N -1 3 354.395 3.012 20 0 FGADHM Cc1cc(-c2nc(-c3ccccc3)no2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826243090 609510740 /nfs/dbraw/zinc/51/07/40/609510740.db2.gz TWMCKZCPDDDLDA-UHFFFAOYSA-N -1 3 370.376 3.078 20 0 FGADHM Cc1cc(-c2nc(-c3ccccc3)no2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826243090 609510742 /nfs/dbraw/zinc/51/07/42/609510742.db2.gz TWMCKZCPDDDLDA-UHFFFAOYSA-N -1 3 370.376 3.078 20 0 FGADHM Cc1c(Cl)cnc(NCCc2nc3ccccc3s2)c1-c1nnn[n-]1 ZINC000826240524 609524689 /nfs/dbraw/zinc/52/46/89/609524689.db2.gz YBJTUYNBIZZORI-UHFFFAOYSA-N -1 3 371.857 3.488 20 0 FGADHM Cc1c(Cl)cnc(NCCc2nc3ccccc3s2)c1-c1nn[n-]n1 ZINC000826240524 609524690 /nfs/dbraw/zinc/52/46/90/609524690.db2.gz YBJTUYNBIZZORI-UHFFFAOYSA-N -1 3 371.857 3.488 20 0 FGADHM COc1ccc(N(C#N)Cc2ccc(-c3nnn[n-]3)cc2F)cc1Cl ZINC000826209115 609525745 /nfs/dbraw/zinc/52/57/45/609525745.db2.gz NDEOOHDKXLWRFB-UHFFFAOYSA-N -1 3 358.764 3.155 20 0 FGADHM COc1ccc(N(C#N)Cc2ccc(-c3nn[n-]n3)cc2F)cc1Cl ZINC000826209115 609525747 /nfs/dbraw/zinc/52/57/47/609525747.db2.gz NDEOOHDKXLWRFB-UHFFFAOYSA-N -1 3 358.764 3.155 20 0 FGADHM C[C@@H](Nc1nnc(Cc2ccccc2)s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824670497 609532451 /nfs/dbraw/zinc/53/24/51/609532451.db2.gz QBHOVSMFVNAULD-GFCCVEGCSA-N -1 3 363.450 3.482 20 0 FGADHM C[C@@H](Nc1nnc(Cc2ccccc2)s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824670497 609532453 /nfs/dbraw/zinc/53/24/53/609532453.db2.gz QBHOVSMFVNAULD-GFCCVEGCSA-N -1 3 363.450 3.482 20 0 FGADHM CCC[C@@H]1C[C@@H](C(=O)Nc2sc(C)c(CC)c2-c2nnn[n-]2)CCO1 ZINC000825253067 609555632 /nfs/dbraw/zinc/55/56/32/609555632.db2.gz LFRYXNRGMWNBDG-NWDGAFQWSA-N -1 3 363.487 3.333 20 0 FGADHM CCC[C@@H]1C[C@@H](C(=O)Nc2sc(C)c(CC)c2-c2nn[n-]n2)CCO1 ZINC000825253067 609555635 /nfs/dbraw/zinc/55/56/35/609555635.db2.gz LFRYXNRGMWNBDG-NWDGAFQWSA-N -1 3 363.487 3.333 20 0 FGADHM C[C@H]1CC(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)C[C@H](C)C1 ZINC000824877652 609557073 /nfs/dbraw/zinc/55/70/73/609557073.db2.gz ZSCZZHCKCDWYGV-NXEZZACHSA-N -1 3 365.384 3.479 20 0 FGADHM C[C@H]1CC(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)C[C@H](C)C1 ZINC000824877652 609557075 /nfs/dbraw/zinc/55/70/75/609557075.db2.gz ZSCZZHCKCDWYGV-NXEZZACHSA-N -1 3 365.384 3.479 20 0 FGADHM Cc1cc(Nc2cccc(-c3nnn[n-]3)n2)cnc1N1CCCC[C@H]1C ZINC000826271377 609563894 /nfs/dbraw/zinc/56/38/94/609563894.db2.gz OQBZKLNIGALMCI-CYBMUJFWSA-N -1 3 350.430 3.088 20 0 FGADHM Cc1cc(Nc2cccc(-c3nn[n-]n3)n2)cnc1N1CCCC[C@H]1C ZINC000826271377 609563895 /nfs/dbraw/zinc/56/38/95/609563895.db2.gz OQBZKLNIGALMCI-CYBMUJFWSA-N -1 3 350.430 3.088 20 0 FGADHM Cc1nc2c(s1)[C@H](Nc1c(-c3nnn[n-]3)cnc3ccccc31)CCC2 ZINC000826328396 609565902 /nfs/dbraw/zinc/56/59/02/609565902.db2.gz PXTWKEFZUMWMSG-OAHLLOKOSA-N -1 3 363.450 3.091 20 0 FGADHM Cc1nc2c(s1)[C@H](Nc1c(-c3nn[n-]n3)cnc3ccccc31)CCC2 ZINC000826328396 609565904 /nfs/dbraw/zinc/56/59/04/609565904.db2.gz PXTWKEFZUMWMSG-OAHLLOKOSA-N -1 3 363.450 3.091 20 0 FGADHM Cc1ccnc(N(C)Cc2cccc(OC(F)(F)F)c2)c1-c1nnn[n-]1 ZINC000826309464 609575614 /nfs/dbraw/zinc/57/56/14/609575614.db2.gz PYWZEPJIWYIKDG-UHFFFAOYSA-N -1 3 364.331 3.105 20 0 FGADHM Cc1ccnc(N(C)Cc2cccc(OC(F)(F)F)c2)c1-c1nn[n-]n1 ZINC000826309464 609575617 /nfs/dbraw/zinc/57/56/17/609575617.db2.gz PYWZEPJIWYIKDG-UHFFFAOYSA-N -1 3 364.331 3.105 20 0 FGADHM Cc1noc(C(C)C)c1C(=O)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826338264 609619399 /nfs/dbraw/zinc/61/93/99/609619399.db2.gz PPSAOXSHRKMLBK-UHFFFAOYSA-N -1 3 361.789 3.297 20 0 FGADHM Cc1noc(C(C)C)c1C(=O)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826338264 609619400 /nfs/dbraw/zinc/61/94/00/609619400.db2.gz PPSAOXSHRKMLBK-UHFFFAOYSA-N -1 3 361.789 3.297 20 0 FGADHM CC(=O)c1c[nH]c(C(=O)O[C@@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)c1 ZINC000007179650 695564403 /nfs/dbraw/zinc/56/44/03/695564403.db2.gz IDBONQXCVLEVLI-VIFPVBQESA-N -1 3 359.407 3.050 20 0 FGADHM CCOCCSc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[n-]1 ZINC000009521201 695586558 /nfs/dbraw/zinc/58/65/58/695586558.db2.gz SVXRJJHBBDKDDN-UHFFFAOYSA-N -1 3 350.831 3.303 20 0 FGADHM Cc1noc(C)c1S(=O)(=O)[N-]CCCCOc1ccc(Cl)cc1 ZINC000010517901 695590806 /nfs/dbraw/zinc/59/08/06/695590806.db2.gz QRKIBFWJIDGHNE-UHFFFAOYSA-N -1 3 358.847 3.082 20 0 FGADHM Cc1ccccc1-n1ncc(C(=O)[N-]c2nncs2)c1C(F)(F)F ZINC000031273411 695733120 /nfs/dbraw/zinc/73/31/20/695733120.db2.gz OHXQGGOEKFEVSK-UHFFFAOYSA-N -1 3 353.329 3.303 20 0 FGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)NC2CCCCCCC2)ccc1F ZINC000031874148 695740011 /nfs/dbraw/zinc/74/00/11/695740011.db2.gz HNUVMYXXXCBCRD-UHFFFAOYSA-N -1 3 370.490 3.355 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)C(C)C)c2)cc1C ZINC000032591608 695746669 /nfs/dbraw/zinc/74/66/69/695746669.db2.gz JSGVYTUGHMMWQR-UHFFFAOYSA-N -1 3 362.451 3.399 20 0 FGADHM Cc1csc(CC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)n1 ZINC000045808167 695826706 /nfs/dbraw/zinc/82/67/06/695826706.db2.gz HMVFAZHYDFURPN-UHFFFAOYSA-N -1 3 351.280 3.279 20 0 FGADHM CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1Cl ZINC000047654948 695865026 /nfs/dbraw/zinc/86/50/26/695865026.db2.gz GXNVENNURFVJKJ-UHFFFAOYSA-N -1 3 356.806 3.030 20 0 FGADHM CC(C)(C(=O)OCC(=O)[N-]C(=O)c1cccs1)c1ccc(Cl)cc1 ZINC000052143297 695920055 /nfs/dbraw/zinc/92/00/55/695920055.db2.gz SKPLNUSNHZMFHC-UHFFFAOYSA-N -1 3 365.838 3.179 20 0 FGADHM CC(C)OCCOC(=O)c1n[n-]c(-c2ccccc2)c1Br ZINC000069581929 695951088 /nfs/dbraw/zinc/95/10/88/695951088.db2.gz ASPSNKZHAPFGBH-UHFFFAOYSA-N -1 3 353.216 3.421 20 0 FGADHM CC[C@@H]1CCC[C@@H](NC(=O)N[N-]C(=O)c2ccccc2Br)C1 ZINC000077856273 700267310 /nfs/dbraw/zinc/26/73/10/700267310.db2.gz SSQZFPKXLKKXEK-VXGBXAGGSA-N -1 3 368.275 3.362 20 0 FGADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@H]1CCSc2ccc(F)cc21 ZINC000078805269 700288660 /nfs/dbraw/zinc/28/86/60/700288660.db2.gz GQPMRRMJPTWADD-ZDUSSCGKSA-N -1 3 361.442 3.308 20 0 FGADHM CNc1cc(C(=O)Nc2cc(Br)ccc2[O-])cc(Cl)n1 ZINC000085591284 700367869 /nfs/dbraw/zinc/36/78/69/700367869.db2.gz VYUCAKMRKOXXJS-UHFFFAOYSA-N -1 3 356.607 3.497 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)c1c(Cl)nc2ccccn21)c1nc(C)cs1 ZINC000104760167 700496190 /nfs/dbraw/zinc/49/61/90/700496190.db2.gz RQWHXQJSIGXZQL-JTQLQIEISA-N -1 3 370.887 3.182 20 0 FGADHM COc1ccc(C(=O)NC[C@H](O)c2ccc(Cl)cc2Cl)c([O-])c1 ZINC000111640665 700549839 /nfs/dbraw/zinc/54/98/39/700549839.db2.gz RCZXRVDXHJQVHL-HNNXBMFYSA-N -1 3 356.205 3.171 20 0 FGADHM CC(C)(C)[S@@](=O)CCNC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000112394282 700559146 /nfs/dbraw/zinc/55/91/46/700559146.db2.gz VZRWLMNHTUIFOR-RUZDIDTESA-N -1 3 359.491 3.260 20 0 FGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(F)c2)ccc1F ZINC000119413556 700628369 /nfs/dbraw/zinc/62/83/69/700628369.db2.gz YLOVRBDYEQUURM-UHFFFAOYSA-N -1 3 368.405 3.294 20 0 FGADHM Cn1cc(S(=O)(=O)[N-]C(c2cccs2)c2cccs2)nc1Cl ZINC000124213793 700716758 /nfs/dbraw/zinc/71/67/58/700716758.db2.gz VBMOJVHLQZYLET-UHFFFAOYSA-N -1 3 373.912 3.264 20 0 FGADHM CCc1nc(C)c([C@@H](C)N(C)C(=O)c2nnc3ccccc3c2[O-])s1 ZINC000125345772 700734786 /nfs/dbraw/zinc/73/47/86/700734786.db2.gz HVBMPUJGRBAIHD-LLVKDONJSA-N -1 3 356.451 3.084 20 0 FGADHM O=C(Nc1cc(Br)ccc1[O-])c1cc(F)cc2nc[nH]c21 ZINC000126686629 700751502 /nfs/dbraw/zinc/75/15/02/700751502.db2.gz MNGLINYFQJQMCY-UHFFFAOYSA-N -1 3 350.147 3.422 20 0 FGADHM Cc1ccc(CC(=O)[N-]OCc2nnc(-c3ccccc3Cl)o2)cc1 ZINC000132132884 700823998 /nfs/dbraw/zinc/82/39/98/700823998.db2.gz ZFFAPIBVHCGYLM-UHFFFAOYSA-N -1 3 357.797 3.489 20 0 FGADHM CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc([O-])c(F)c1 ZINC000132842582 700831853 /nfs/dbraw/zinc/83/18/53/700831853.db2.gz LCPFWDMOCVVYKA-AWEZNQCLSA-N -1 3 354.422 3.087 20 0 FGADHM CS[C@H]1CC[C@@H](NC(=O)NCc2ccc([O-])c(Br)c2)C1 ZINC000132851075 700832229 /nfs/dbraw/zinc/83/22/29/700832229.db2.gz RJVSPVHCBPKCLV-MNOVXSKESA-N -1 3 359.289 3.238 20 0 FGADHM CC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000153585634 705005151 /nfs/dbraw/zinc/00/51/51/705005151.db2.gz HYVIQDFXQIEKRH-GOSISDBHSA-N -1 3 360.841 3.368 20 0 FGADHM CSC(C)(C)C[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000154542722 705038444 /nfs/dbraw/zinc/03/84/44/705038444.db2.gz NMZYGHSEVNKRNL-UHFFFAOYSA-N -1 3 356.282 3.008 20 0 FGADHM O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)[C@@H]1CCCS1 ZINC000158053085 705171444 /nfs/dbraw/zinc/17/14/44/705171444.db2.gz LYBXLNJGZOKBDJ-HOCLYGCPSA-N -1 3 354.903 3.022 20 0 FGADHM CCCOC(=O)[C@H](C)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000159329422 705220269 /nfs/dbraw/zinc/22/02/69/705220269.db2.gz UBHAVEULQNDFHP-LBPRGKRZSA-N -1 3 368.861 3.038 20 0 FGADHM CSc1ccccc1[N-]C(=O)c1cc(S(N)(=O)=O)cc(Cl)c1F ZINC000161259810 705271907 /nfs/dbraw/zinc/27/19/07/705271907.db2.gz GSOSBIIVRPZBMU-UHFFFAOYSA-N -1 3 374.846 3.101 20 0 FGADHM C[C@](O)(C[N-]S(=O)(=O)c1ccc(Cl)s1)c1ccccc1Cl ZINC000162305653 705293636 /nfs/dbraw/zinc/29/36/36/705293636.db2.gz HAABBTRPSXVYRT-ZDUSSCGKSA-N -1 3 366.291 3.241 20 0 FGADHM C[C@@H]([N-]C(=O)C(F)(F)C1(O)CCC1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000162431844 705295941 /nfs/dbraw/zinc/29/59/41/705295941.db2.gz CPKASNBMQFLLLL-SECBINFHSA-N -1 3 371.771 3.118 20 0 FGADHM O=C(Nc1cc(F)ccc1[O-])c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000174883865 705523719 /nfs/dbraw/zinc/52/37/19/705523719.db2.gz IOGOYNXVJWQMCB-UHFFFAOYSA-N -1 3 363.288 3.077 20 0 FGADHM Cc1ncc(C([O-])=C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)c(C)n1 ZINC000179880293 705719737 /nfs/dbraw/zinc/71/97/37/705719737.db2.gz BKTZEMQSIUGNAX-CYBMUJFWSA-N -1 3 363.204 3.361 20 0 FGADHM Cc1cc(C)[n-]c(=NNC(=O)N[C@@H]2CCCOc3c(Cl)cccc32)n1 ZINC000181372194 705791034 /nfs/dbraw/zinc/79/10/34/705791034.db2.gz YXCZPJTVPMQSPM-CQSZACIVSA-N -1 3 361.833 3.287 20 0 FGADHM C[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)NN=c1cncc(Cl)[n-]1 ZINC000181885837 705813964 /nfs/dbraw/zinc/81/39/64/705813964.db2.gz OHNCOJYWIOCCIA-VIFPVBQESA-N -1 3 373.766 3.406 20 0 FGADHM CC[C@](C)([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C)c1nccs1 ZINC000182946419 705869585 /nfs/dbraw/zinc/86/95/85/705869585.db2.gz KSZYKAXAVOBFJQ-AWEZNQCLSA-N -1 3 373.431 3.103 20 0 FGADHM O=C(CC1CCCC1)N[N-]C(=O)c1cccc(Br)c1Cl ZINC000183556490 705890702 /nfs/dbraw/zinc/89/07/02/705890702.db2.gz VWLWMPNLGOFXHL-UHFFFAOYSA-N -1 3 359.651 3.444 20 0 FGADHM CC1(C)C[C@@H](NC(=O)N[N-]C(=O)c2ccc(Cl)cc2Cl)C(C)(C)O1 ZINC000183586006 705892007 /nfs/dbraw/zinc/89/20/07/705892007.db2.gz BXXSJGCKMIOCNK-GFCCVEGCSA-N -1 3 374.268 3.284 20 0 FGADHM COc1ccc2c(c1)C=C(S(=O)(=O)[N-]c1cnc(C3CC3)nc1)CC2 ZINC000184492034 712672442 /nfs/dbraw/zinc/67/24/42/712672442.db2.gz WRGVNULRYSYULT-UHFFFAOYSA-N -1 3 357.435 3.092 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)NNc1ccc(Br)c(F)c1 ZINC000185431490 712694248 /nfs/dbraw/zinc/69/42/48/712694248.db2.gz QGJQCSWWGLKUKP-UHFFFAOYSA-N -1 3 372.169 3.259 20 0 FGADHM Cc1cccc(F)c1NNC(=O)NCc1ccc([O-])c(Br)c1 ZINC000185566208 712696726 /nfs/dbraw/zinc/69/67/26/712696726.db2.gz VGRALBWHUJJDKC-UHFFFAOYSA-N -1 3 368.206 3.429 20 0 FGADHM O=S(=O)([N-]CCC[C@H]1CCCCO1)c1cnc(Cl)c(Cl)c1 ZINC000186169542 712711002 /nfs/dbraw/zinc/71/10/02/712711002.db2.gz PJWOLMWWUVVHAN-SNVBAGLBSA-N -1 3 353.271 3.016 20 0 FGADHM N#C/C(=C\c1ccc([O-])cc1)C(=O)NCc1ccccc1Br ZINC000188621076 712773352 /nfs/dbraw/zinc/77/33/52/712773352.db2.gz ICTDDKDWMKDMMI-NTEUORMPSA-N -1 3 357.207 3.378 20 0 FGADHM CCOC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccnc2Cl)c1 ZINC000190184358 712808149 /nfs/dbraw/zinc/80/81/49/712808149.db2.gz JIUIEHPIGWIERZ-UHFFFAOYSA-N 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ZINC000648433935 718426525 /nfs/dbraw/zinc/42/65/25/718426525.db2.gz VJGVJPLRTNCPHU-MRVPVSSYSA-N -1 3 365.714 3.066 20 0 FGADHM Cc1c(Br)ccc([O-])c1NC(=O)c1cn(C2CCC2)nn1 ZINC000648917126 718459247 /nfs/dbraw/zinc/45/92/47/718459247.db2.gz BRSGHPMJUJRTRG-UHFFFAOYSA-N -1 3 351.204 3.032 20 0 FGADHM C[C@H](C(=O)[O-])C1(NCc2cc(OC(F)F)ccc2Br)CC1 ZINC000649510235 718522878 /nfs/dbraw/zinc/52/28/78/718522878.db2.gz WFBODLMDURFSKX-MRVPVSSYSA-N -1 3 364.186 3.393 20 0 FGADHM COC(=O)c1cc(S(=O)(=O)[N-][C@H]2CC[C@@H](C)C2)c(Cl)cc1Cl ZINC000780912197 724514349 /nfs/dbraw/zinc/51/43/49/724514349.db2.gz AKIZWNHRFKLTKR-BDAKNGLRSA-N -1 3 366.266 3.247 20 0 FGADHM O=c1[nH]c2c(cc1[N-]S(=O)(=O)c1ccc(F)cc1Cl)CCCC2 ZINC000650484728 718684731 /nfs/dbraw/zinc/68/47/31/718684731.db2.gz GRMGCQILWKCMLB-UHFFFAOYSA-N -1 3 356.806 3.259 20 0 FGADHM C[C@@H](NC(=O)CN1CCCC[C@H]1CC(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000650504460 718689480 /nfs/dbraw/zinc/68/94/80/718689480.db2.gz NXDMLILPEWVDDV-YPMHNXCESA-N -1 3 373.280 3.500 20 0 FGADHM C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CN1CCCC[C@@H]1CC(=O)[O-] ZINC000650504839 718689568 /nfs/dbraw/zinc/68/95/68/718689568.db2.gz GFLIOJNMPGBXEZ-CZUORRHYSA-N -1 3 352.862 3.189 20 0 FGADHM O=C(Nc1ccc(Br)cc1[O-])[C@@H]1CCO[C@H]1c1ccncc1 ZINC000651098143 718767097 /nfs/dbraw/zinc/76/70/97/718767097.db2.gz ISXZKBCOQHPXGC-DOMZBBRYSA-N -1 3 363.211 3.266 20 0 FGADHM CCC[C@@H](C(=O)[O-])N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000652372501 718938100 /nfs/dbraw/zinc/93/81/00/718938100.db2.gz PEDNUANSXACLOJ-LBPRGKRZSA-N -1 3 365.783 3.129 20 0 FGADHM CCOC[C@@H]1CCCN(Cc2c(Br)cccc2C(=O)[O-])C1 ZINC000652414257 718942005 /nfs/dbraw/zinc/94/20/05/718942005.db2.gz KSSBNDRTROZAMU-GFCCVEGCSA-N -1 3 356.260 3.396 20 0 FGADHM CC(C)C[C@H](C(=O)[O-])N(C)Cc1nc2ccc(Br)cc2n1C ZINC000652484765 718950055 /nfs/dbraw/zinc/95/00/55/718950055.db2.gz QUBMGMHXOCGWPT-CQSZACIVSA-N -1 3 368.275 3.267 20 0 FGADHM COc1ccc(C(C)(C)C[N-]S(=O)(=O)c2cnc(Cl)c(F)c2)cc1 ZINC000804976605 724570495 /nfs/dbraw/zinc/57/04/95/724570495.db2.gz HOYGABLVFZVNAP-UHFFFAOYSA-N -1 3 372.849 3.139 20 0 FGADHM CC[C@H](NC(=O)c1cc(=O)[n-]c(C2CC2)n1)c1nc(C(F)(F)F)cs1 ZINC000654849843 719239937 /nfs/dbraw/zinc/23/99/37/719239937.db2.gz NLFLEEAHYUHTGG-QMMMGPOBSA-N -1 3 372.372 3.416 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]c2cccc3c2CCN(C)C3)ccc1Cl ZINC000655559494 719305495 /nfs/dbraw/zinc/30/54/95/719305495.db2.gz CQRJAGBFQRGILQ-UHFFFAOYSA-N -1 3 350.871 3.437 20 0 FGADHM O=S(=O)([N-][C@H](C[C@@H]1CCCO1)C(F)(F)F)c1ccc(Cl)cc1 ZINC000655664760 719322557 /nfs/dbraw/zinc/32/25/57/719322557.db2.gz VWJKPQNXHRKDQQ-CMPLNLGQSA-N -1 3 357.781 3.118 20 0 FGADHM O=C1CCc2ccc(S(=O)(=O)[N-]C3(C(F)(F)F)CCCCC3)cc21 ZINC000656183568 719370506 /nfs/dbraw/zinc/37/05/06/719370506.db2.gz HEJFOOLZNSREAR-UHFFFAOYSA-N -1 3 361.385 3.359 20 0 FGADHM COC(C)(C)CS(=O)(=O)[N-]c1ccc(Br)c(F)c1C ZINC000656633283 719428944 /nfs/dbraw/zinc/42/89/44/719428944.db2.gz BAMOSFXDPUADDY-UHFFFAOYSA-N -1 3 354.241 3.063 20 0 FGADHM CO[C@H](CS(=O)(=O)[N-]c1cccc(C(F)F)c1Cl)[C@H]1CCOC1 ZINC000656629220 719426637 /nfs/dbraw/zinc/42/66/37/719426637.db2.gz TYKODPBCQRJJDQ-JOYOIKCWSA-N -1 3 369.817 3.071 20 0 FGADHM Cc1c(Br)cccc1CS(=O)(=O)[N-]c1c[nH]nc1C1CC1 ZINC000656739311 719459338 /nfs/dbraw/zinc/45/93/38/719459338.db2.gz JJCHRZNFQJUUJZ-UHFFFAOYSA-N -1 3 370.272 3.300 20 0 FGADHM COC1CC(CC[N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)C1 ZINC000657036397 719549254 /nfs/dbraw/zinc/54/92/54/719549254.db2.gz GPRKQHQIRKJRHO-UHFFFAOYSA-N -1 3 352.283 3.395 20 0 FGADHM C[C@]1(C[N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)CC1(F)F ZINC000657156349 719577767 /nfs/dbraw/zinc/57/77/67/719577767.db2.gz OBXPQRWUAHYOGU-SNVBAGLBSA-N -1 3 363.279 3.048 20 0 FGADHM COc1cc(Cl)c(S(=O)(=O)[N-]C[C@]2(C)CC2(F)F)cc1Cl ZINC000657158245 719578819 /nfs/dbraw/zinc/57/88/19/719578819.db2.gz YAICNYUHPVFIMB-NSHDSACASA-N -1 3 360.209 3.326 20 0 FGADHM O=S(=O)([N-]C[C@H](CO)CC1CC1)c1cc(Cl)ccc1C(F)(F)F ZINC000657181204 719587052 /nfs/dbraw/zinc/58/70/52/719587052.db2.gz FSKFODWUSDGBHG-SNVBAGLBSA-N -1 3 371.808 3.046 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1ccc(Br)cn1)C1CCC(F)CC1 ZINC000660034819 719978320 /nfs/dbraw/zinc/97/83/20/719978320.db2.gz PWTHWBXYCAROME-BMQDGWLCSA-N -1 3 365.268 3.039 20 0 FGADHM CC[C@@H](Cc1ccc(Br)cc1)[N-]S(=O)(=O)c1ccco1 ZINC000660069896 719984100 /nfs/dbraw/zinc/98/41/00/719984100.db2.gz BJUZBOBTRCMDNR-ZDUSSCGKSA-N -1 3 358.257 3.342 20 0 FGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]2CCOC2(C)C)c1Cl ZINC000660095797 719988340 /nfs/dbraw/zinc/98/83/40/719988340.db2.gz RYNUYTQCYGJZMO-JTQLQIEISA-N -1 3 352.283 3.395 20 0 FGADHM COc1ccc([N-]S(=O)(=O)c2ccccc2-c2ccno2)c(Cl)n1 ZINC000782258351 724644693 /nfs/dbraw/zinc/64/46/93/724644693.db2.gz IVYPAIQQFYAFGY-UHFFFAOYSA-N -1 3 365.798 3.199 20 0 FGADHM C[C@@]12COC[C@@H]1CN(Cc1nc(=O)c3c(-c4ccco4)csc3[n-]1)C2 ZINC000661704622 720306625 /nfs/dbraw/zinc/30/66/25/720306625.db2.gz JQIQMOMOFRJZFO-BBATYDOGSA-N -1 3 357.435 3.125 20 0 FGADHM COCc1ccc(S(=O)(=O)[N-]c2ccc(O[C@H]3CC3(F)F)cc2)cc1 ZINC000663262449 720494948 /nfs/dbraw/zinc/49/49/48/720494948.db2.gz WDOANQFJNKYWBG-INIZCTEOSA-N -1 3 369.389 3.420 20 0 FGADHM CS(=O)(=O)[N-]c1cc(C(=O)OCCCc2ccsc2)ccc1F ZINC000782677305 724692754 /nfs/dbraw/zinc/69/27/54/724692754.db2.gz DDSMIJFHORBQKB-UHFFFAOYSA-N -1 3 357.428 3.048 20 0 FGADHM CSc1ccc([O-])c(C(=O)N(C)CC(=O)Nc2c(C)cccc2C)c1 ZINC000665306192 720752399 /nfs/dbraw/zinc/75/23/99/720752399.db2.gz KPTFQDFOTOIFIY-UHFFFAOYSA-N -1 3 358.463 3.442 20 0 FGADHM O=C([O-])[C@H](CNCc1csc(-c2ccc3c(c2)OCO3)n1)C1CCC1 ZINC000665362122 720759927 /nfs/dbraw/zinc/75/99/27/720759927.db2.gz ZYIHHVMTFSEAQO-CQSZACIVSA-N -1 3 360.435 3.129 20 0 FGADHM CC(=O)N[C@H](CCC(C)C)C(=O)Nc1ccc(Br)cc1[O-] ZINC000666329406 720918366 /nfs/dbraw/zinc/91/83/66/720918366.db2.gz MKILDCFDNABOOR-CYBMUJFWSA-N -1 3 357.248 3.034 20 0 FGADHM O=c1cc(CS(=O)(=O)Cc2cccc(C(F)(F)F)c2)nc(C2CC2)[n-]1 ZINC000666334302 720919375 /nfs/dbraw/zinc/91/93/75/720919375.db2.gz RRFPSZPZEBFOHB-UHFFFAOYSA-N -1 3 372.368 3.193 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1ccc(OC(F)(F)Cl)cc1 ZINC000783110327 724725350 /nfs/dbraw/zinc/72/53/50/724725350.db2.gz FUGQNJGUQWMUNA-UHFFFAOYSA-N -1 3 365.727 3.287 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1ccc(OC(F)(F)Cl)cc1 ZINC000783110327 724725354 /nfs/dbraw/zinc/72/53/54/724725354.db2.gz FUGQNJGUQWMUNA-UHFFFAOYSA-N -1 3 365.727 3.287 20 0 FGADHM CCC[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)c2cc(SC)ccc2[O-])C1 ZINC000667631931 721144714 /nfs/dbraw/zinc/14/47/14/721144714.db2.gz NGSKXPXLTLMYPR-UONOGXRCSA-N -1 3 364.511 3.271 20 0 FGADHM O=C(OCc1nnc(-c2ccco2)o1)c1cccc(Br)c1[O-] ZINC000783529801 724761720 /nfs/dbraw/zinc/76/17/20/724761720.db2.gz JJPFWJORHMXUIX-UHFFFAOYSA-N -1 3 365.139 3.155 20 0 FGADHM C[C@H](CO[N-]C(=O)CCc1cccc(Cl)c1)NC(=O)OC(C)(C)C ZINC000783663954 724776754 /nfs/dbraw/zinc/77/67/54/724776754.db2.gz VZAUJMIMDAAKFG-GFCCVEGCSA-N -1 3 356.850 3.234 20 0 FGADHM C[C@H](C[C@@H]1CCOC1)[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000671679146 721607504 /nfs/dbraw/zinc/60/75/04/721607504.db2.gz OXYLUCYWFNPZDR-ZJUUUORDSA-N -1 3 371.808 3.452 20 0 FGADHM CCC[C@H]([N-]S(=O)(=O)c1cccnc1C(F)(F)F)c1ccccn1 ZINC000672383443 721631930 /nfs/dbraw/zinc/63/19/30/721631930.db2.gz ZYTWZKXKIKZDHY-LBPRGKRZSA-N -1 3 359.373 3.315 20 0 FGADHM C[C@@]1(c2ccccc2)C[C@@H]1[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000672386754 721632087 /nfs/dbraw/zinc/63/20/87/721632087.db2.gz JPNODZXBHJHYTQ-ZFWWWQNUSA-N -1 3 356.369 3.109 20 0 FGADHM COC[C@H]([N-]S(=O)(=O)c1cc(F)ccc1F)c1cccc(Cl)c1 ZINC000673589523 721667359 /nfs/dbraw/zinc/66/73/59/721667359.db2.gz RYFQTRCBRQFFMC-AWEZNQCLSA-N -1 3 361.797 3.284 20 0 FGADHM COc1ccc(S(=O)(=O)[N-][C@@H]2CCC(F)(F)C2)c(Cl)c1Cl ZINC000675637218 721764245 /nfs/dbraw/zinc/76/42/45/721764245.db2.gz VFEVXYVKAJOARC-SSDOTTSWSA-N -1 3 360.209 3.468 20 0 FGADHM O=C(OCc1noc(-c2ccccc2[O-])n1)c1c(F)cc(F)cc1F ZINC000783854001 724796465 /nfs/dbraw/zinc/79/64/65/724796465.db2.gz VKPZZNQQENKPPQ-UHFFFAOYSA-N -1 3 350.252 3.217 20 0 FGADHM C[C@@H](c1ccccc1)[C@@H](CO)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000676857679 721837012 /nfs/dbraw/zinc/83/70/12/721837012.db2.gz LAJMJDDBAFYUFR-XHDPSFHLSA-N -1 3 374.289 3.436 20 0 FGADHM Cc1[nH]nc(C(F)(F)F)c1C(=O)Nc1cc(Br)ccc1[O-] ZINC000677591168 721903290 /nfs/dbraw/zinc/90/32/90/721903290.db2.gz MPZIHMZYCUCMJD-UHFFFAOYSA-N -1 3 364.121 3.457 20 0 FGADHM O=C(Nc1cc(F)ccc1[O-])C1(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000677590261 721903275 /nfs/dbraw/zinc/90/32/75/721903275.db2.gz SITVFIDZGOWQHC-UHFFFAOYSA-N -1 3 369.801 3.130 20 0 FGADHM Cc1ccc(Br)cc1CN/C=C1/C(=O)[N-]C(=O)c2ccccc21 ZINC000783935677 724804826 /nfs/dbraw/zinc/80/48/26/724804826.db2.gz RBZVMXMLAYLVFL-MHWRWJLKSA-N -1 3 371.234 3.158 20 0 FGADHM CCCn1cc(C(=O)[N-]c2nc(Sc3ccc(C)cc3)ns2)nn1 ZINC000678057584 721936253 /nfs/dbraw/zinc/93/62/53/721936253.db2.gz RGAJFLNEYZPAKU-UHFFFAOYSA-N -1 3 360.468 3.252 20 0 FGADHM O=C(c1c([O-])cccc1O)N1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000678342909 721953004 /nfs/dbraw/zinc/95/30/04/721953004.db2.gz GUZDLYPUQWNQHT-OCAPTIKFSA-N -1 3 357.250 3.301 20 0 FGADHM C[C@]1([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)CCO[C@@H]1C1CC1 ZINC000680108799 722072366 /nfs/dbraw/zinc/07/23/66/722072366.db2.gz INQQZLZRXIKGTL-KGLIPLIRSA-N -1 3 367.364 3.080 20 0 FGADHM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(OCC(F)F)cc2)cc1O ZINC000680809889 722158791 /nfs/dbraw/zinc/15/87/91/722158791.db2.gz UHYWOVZEYMOIST-UHFFFAOYSA-N -1 3 357.378 3.454 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]C[C@@H](c2ccnn2C)C(C)C)sc1Cl ZINC000682725064 722263033 /nfs/dbraw/zinc/26/30/33/722263033.db2.gz FCBUNAJQHFSKBV-LLVKDONJSA-N -1 3 361.920 3.162 20 0 FGADHM O=C([O-])[C@H](CNCc1nc2c(s1)CCC2)Cc1cccc(Cl)c1 ZINC000683176792 722284302 /nfs/dbraw/zinc/28/43/02/722284302.db2.gz RTIBKYRENGCKIY-LBPRGKRZSA-N -1 3 350.871 3.318 20 0 FGADHM Cn1cnc2cc(CN[C@@H](C(=O)[O-])c3cccc(Br)c3)ccc21 ZINC000683175588 722284318 /nfs/dbraw/zinc/28/43/18/722284318.db2.gz XXRUTZYJLSUQQP-MRXNPFEDSA-N -1 3 374.238 3.251 20 0 FGADHM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)C[C@@H]2CCCC(F)(F)C2)o1 ZINC000685297340 722380803 /nfs/dbraw/zinc/38/08/03/722380803.db2.gz NBTQBPSJIVGMMW-TZMCWYRMSA-N -1 3 365.442 3.274 20 0 FGADHM COc1cc(C(=O)O[C@@H](C)C(=O)c2cccc(Cl)c2)cc(OC)c1[O-] ZINC000784360635 724846415 /nfs/dbraw/zinc/84/64/15/724846415.db2.gz MMPIZHADBXDKIU-JTQLQIEISA-N -1 3 364.781 3.491 20 0 FGADHM CC1([N-]S(=O)(=O)c2ccc(F)cc2Br)CC(F)(F)C1 ZINC000720931351 722419601 /nfs/dbraw/zinc/41/96/01/722419601.db2.gz NVOHBTHONAPQHJ-UHFFFAOYSA-N -1 3 358.179 3.054 20 0 FGADHM CCC[C@@H](CC)[N-]S(=O)(=O)c1cc(Br)cc(F)c1OC ZINC000730811974 722471066 /nfs/dbraw/zinc/47/10/66/722471066.db2.gz QUMGIPGUIASDJJ-SNVBAGLBSA-N -1 3 368.268 3.454 20 0 FGADHM CC(C)[C@@H](CC(=O)OCC(=O)[N-]C(=O)c1cccs1)c1ccccc1 ZINC000728636676 722453444 /nfs/dbraw/zinc/45/34/44/722453444.db2.gz DKCCTUOJAODQSC-OAHLLOKOSA-N -1 3 359.447 3.378 20 0 FGADHM CCC(C)(C)NC(=O)[C@H](C)OC(=O)c1cccc(Br)c1[O-] ZINC000730364363 722467887 /nfs/dbraw/zinc/46/78/87/722467887.db2.gz KINILIRTKVNWTP-VIFPVBQESA-N -1 3 358.232 3.005 20 0 FGADHM C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)c1cccc(Br)c1[O-] ZINC000730365600 722467935 /nfs/dbraw/zinc/46/79/35/722467935.db2.gz VKTGKYHUQFGTHX-GWCFXTLKSA-N -1 3 370.243 3.006 20 0 FGADHM CCC[C@@H](C)[N-]S(=O)(=O)c1cc(Br)cc(F)c1OC ZINC000730808784 722470956 /nfs/dbraw/zinc/47/09/56/722470956.db2.gz GXFSAXWQAPMODV-MRVPVSSYSA-N -1 3 354.241 3.064 20 0 FGADHM CCC(CC)[N-]S(=O)(=O)c1cc(Br)cc(F)c1OC ZINC000730808794 722470972 /nfs/dbraw/zinc/47/09/72/722470972.db2.gz HKEKDIWWLQXZIY-UHFFFAOYSA-N -1 3 354.241 3.064 20 0 FGADHM O=Cc1ccc(OCCC(=O)Nc2ccc(Br)cc2[O-])cc1 ZINC000731607087 722476836 /nfs/dbraw/zinc/47/68/36/722476836.db2.gz AGWMOULRYQXEJH-UHFFFAOYSA-N -1 3 364.195 3.375 20 0 FGADHM CC(C)[C@@H](C)C(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000735700227 722518415 /nfs/dbraw/zinc/51/84/15/722518415.db2.gz FWUVRIJBOYWAJX-LLVKDONJSA-N -1 3 356.455 3.145 20 0 FGADHM CC(C)[C@@H](C)C(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000735700227 722518416 /nfs/dbraw/zinc/51/84/16/722518416.db2.gz FWUVRIJBOYWAJX-LLVKDONJSA-N -1 3 356.455 3.145 20 0 FGADHM COC(=O)[C@H](Sc1cc(C)ccc1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736901805 722525230 /nfs/dbraw/zinc/52/52/30/722525230.db2.gz OXWGTONASFGFTB-MRXNPFEDSA-N -1 3 354.435 3.490 20 0 FGADHM COC(=O)[C@H](Sc1cc(C)ccc1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736901805 722525231 /nfs/dbraw/zinc/52/52/31/722525231.db2.gz OXWGTONASFGFTB-MRXNPFEDSA-N -1 3 354.435 3.490 20 0 FGADHM Cc1ccc(N2CC[C@@H](Sc3ccc(-c4nnn[n-]4)cc3)C2=O)cc1 ZINC000737351061 722526327 /nfs/dbraw/zinc/52/63/27/722526327.db2.gz JSTCFTGVHGBHIJ-MRXNPFEDSA-N -1 3 351.435 3.073 20 0 FGADHM Cc1ccc(N2CC[C@@H](Sc3ccc(-c4nn[n-]n4)cc3)C2=O)cc1 ZINC000737351061 722526328 /nfs/dbraw/zinc/52/63/28/722526328.db2.gz JSTCFTGVHGBHIJ-MRXNPFEDSA-N -1 3 351.435 3.073 20 0 FGADHM O=C(OCc1cc(Br)cs1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738236264 722529326 /nfs/dbraw/zinc/52/93/26/722529326.db2.gz HDUZOAOSLRYXTR-UHFFFAOYSA-N -1 3 365.212 3.048 20 0 FGADHM O=C(OCc1cc(Br)cs1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738236264 722529327 /nfs/dbraw/zinc/52/93/27/722529327.db2.gz HDUZOAOSLRYXTR-UHFFFAOYSA-N -1 3 365.212 3.048 20 0 FGADHM O=S(=O)([N-]CCOc1cccc2ccccc21)c1cccnc1Cl ZINC000738359874 722529894 /nfs/dbraw/zinc/52/98/94/722529894.db2.gz DNFNVUSGUNHWBX-UHFFFAOYSA-N -1 3 362.838 3.246 20 0 FGADHM O=S(=O)([N-]C[C@H]1CCc2ccccc21)c1cnc(Cl)c(Cl)c1 ZINC000738376770 722530146 /nfs/dbraw/zinc/53/01/46/722530146.db2.gz BZUWWBSJZNEJAI-LLVKDONJSA-N -1 3 357.262 3.397 20 0 FGADHM O=S(=O)([N-]CCc1cccc(F)c1F)c1cnc(Cl)c(Cl)c1 ZINC000738377690 722530163 /nfs/dbraw/zinc/53/01/63/722530163.db2.gz ZBDPVXQIOGSYJY-UHFFFAOYSA-N -1 3 367.204 3.188 20 0 FGADHM CCC[C@](C)(NC(=O)OC(C)(C)C)C(=O)NCc1ccc([O-])c(F)c1 ZINC000738550893 722530744 /nfs/dbraw/zinc/53/07/44/722530744.db2.gz BCKRBEDBWSVIJI-SFHVURJKSA-N -1 3 354.422 3.231 20 0 FGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)NC2CCC(C)(C)CC2)ccc1F ZINC000741593543 722547557 /nfs/dbraw/zinc/54/75/57/722547557.db2.gz MLUPSURYWUODSP-UHFFFAOYSA-N -1 3 370.490 3.211 20 0 FGADHM CCO[C@@H](C)c1ncc(C(=O)[N-]c2c3ccccc3oc2C(N)=O)s1 ZINC000744355266 722576162 /nfs/dbraw/zinc/57/61/62/722576162.db2.gz MMSOXTPBNMHLDY-VIFPVBQESA-N -1 3 359.407 3.338 20 0 FGADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3ccc(C)[nH]c3=O)nc(=O)c2c1C ZINC000744535794 722578140 /nfs/dbraw/zinc/57/81/40/722578140.db2.gz MDOHTVAVJMVQJO-VIFPVBQESA-N -1 3 359.407 3.341 20 0 FGADHM O=C(CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)OCC1CCC1 ZINC000744572644 722578451 /nfs/dbraw/zinc/57/84/51/722578451.db2.gz FEJBCORROKPADU-UHFFFAOYSA-N -1 3 366.266 3.005 20 0 FGADHM O=C(OCCC1CCCC1)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000744689501 722579658 /nfs/dbraw/zinc/57/96/58/722579658.db2.gz RZNGYXZUKNMUJU-UHFFFAOYSA-N -1 3 355.431 3.004 20 0 FGADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)OCCC1CCCCC1 ZINC000744909728 722581497 /nfs/dbraw/zinc/58/14/97/722581497.db2.gz KNBWXTYMUUNGLF-UHFFFAOYSA-N -1 3 365.904 3.193 20 0 FGADHM COC(=O)Nc1ccc(C(=O)OCCOc2ccc(Cl)cc2)cc1[O-] ZINC000745650808 722589107 /nfs/dbraw/zinc/58/91/07/722589107.db2.gz XGNVSNHRYPYANX-UHFFFAOYSA-N -1 3 365.769 3.460 20 0 FGADHM CCO[C@@H](CC[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)C(C)C ZINC000746052554 722592795 /nfs/dbraw/zinc/59/27/95/722592795.db2.gz KGNAWZSLMPQAJB-LBPRGKRZSA-N -1 3 355.287 3.118 20 0 FGADHM C[C@H](CNC(=O)c1ccc2[n-]c(=S)oc2c1)N(C)Cc1ccccc1 ZINC000746247386 722596088 /nfs/dbraw/zinc/59/60/88/722596088.db2.gz MTJLHFFDJJRWRS-CYBMUJFWSA-N -1 3 355.463 3.367 20 0 FGADHM CC(C)C[C@H]([N-]S(=O)(=O)/C=C\c1ccc(F)cc1)C(=O)OC(C)C ZINC000747271884 722641414 /nfs/dbraw/zinc/64/14/14/722641414.db2.gz XSSLBFCWWGXIDX-YDZSZYSISA-N -1 3 357.447 3.082 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1cccc2c1CCCC2)c1nc(C(C)(C)C)no1 ZINC000748063185 722673929 /nfs/dbraw/zinc/67/39/29/722673929.db2.gz TZFSSCZZVDGTJF-GFCCVEGCSA-N -1 3 363.483 3.285 20 0 FGADHM O=C(COC(=O)c1cc(F)cc(Cl)c1[O-])NCc1ccc(Cl)cc1 ZINC000748476803 722692981 /nfs/dbraw/zinc/69/29/81/722692981.db2.gz HVSXGZFHYJQBBY-UHFFFAOYSA-N -1 3 372.179 3.311 20 0 FGADHM Cc1ccc(C)c(COC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000750216557 722758743 /nfs/dbraw/zinc/75/87/43/722758743.db2.gz JLGGXMPAEAUQLX-UHFFFAOYSA-N -1 3 373.883 3.040 20 0 FGADHM CC[C@@H](C)Oc1ccc(C(=O)OCC(=O)[N-]C(=O)c2cccs2)cc1 ZINC000750522408 722770820 /nfs/dbraw/zinc/77/08/20/722770820.db2.gz ISTCPOLOCNHYSD-GFCCVEGCSA-N -1 3 361.419 3.039 20 0 FGADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]C[C@@H](O)c1cccc(F)c1 ZINC000751261501 722800051 /nfs/dbraw/zinc/80/00/51/722800051.db2.gz FIHQGVGMYCCRQX-OAHLLOKOSA-N -1 3 367.373 3.031 20 0 FGADHM O=S(=O)([N-][C@@H]1CCc2c1cccc2O)c1cnc(Cl)c(Cl)c1 ZINC000751307115 722801384 /nfs/dbraw/zinc/80/13/84/722801384.db2.gz YWNLLPWGHCCPDG-GFCCVEGCSA-N -1 3 359.234 3.060 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)[C@H](O)c1ccc(F)cc1 ZINC000751406201 722804524 /nfs/dbraw/zinc/80/45/24/722804524.db2.gz RVUNLRCAEQBRHE-PSLIRLAXSA-N -1 3 361.797 3.019 20 0 FGADHM CC(C)(C)c1ccc([C@H](O)C[N-]S(=O)(=O)c2cccnc2Cl)cc1 ZINC000751420480 722805258 /nfs/dbraw/zinc/80/52/58/722805258.db2.gz RVCDGKUONXPPGA-CQSZACIVSA-N -1 3 368.886 3.044 20 0 FGADHM C[C@H](NC(=O)COC(=O)c1cc(F)cc(Cl)c1[O-])c1ccc(F)cc1 ZINC000751731923 722823921 /nfs/dbraw/zinc/82/39/21/722823921.db2.gz PZGWNNMWGBOFQQ-VIFPVBQESA-N -1 3 369.751 3.358 20 0 FGADHM O=C(COC(=O)c1cc(F)cc(Cl)c1[O-])Nc1ccc(F)cc1F ZINC000751731454 722824070 /nfs/dbraw/zinc/82/40/70/722824070.db2.gz NNFDCCOTSJMVST-UHFFFAOYSA-N -1 3 359.687 3.258 20 0 FGADHM CC(=O)c1ccc(NC(=O)COC(=O)c2cc(F)cc(Cl)c2[O-])cc1 ZINC000751732581 722824271 /nfs/dbraw/zinc/82/42/71/722824271.db2.gz QXMQCNMZRFNSDR-UHFFFAOYSA-N -1 3 365.744 3.183 20 0 FGADHM CCOC(=O)[C@@H](CC1CC1)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000751983236 722839500 /nfs/dbraw/zinc/83/95/00/722839500.db2.gz VJEIIHRJZULUEI-LLVKDONJSA-N -1 3 366.266 3.004 20 0 FGADHM CCC1(CC)CCN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)C1 ZINC000755563377 722954487 /nfs/dbraw/zinc/95/44/87/722954487.db2.gz JIEDWIDWHBMCED-UHFFFAOYSA-N -1 3 370.490 3.165 20 0 FGADHM O=C([O-])[C@H](CC(=O)OCc1ccccc1)NCc1cc(F)cc(Cl)c1 ZINC000756338473 722963048 /nfs/dbraw/zinc/96/30/48/722963048.db2.gz LKMBLNAOIUNMTB-INIZCTEOSA-N -1 3 365.788 3.155 20 0 FGADHM O=C([N-]C[C@@H]1COc2ccccc2O1)C(F)(F)c1c(F)cccc1F ZINC000756868760 722971029 /nfs/dbraw/zinc/97/10/29/722971029.db2.gz XTHOIXICAFOXBU-SNVBAGLBSA-N -1 3 355.287 3.013 20 0 FGADHM Cc1nc2cc([N-]S(=O)(=O)c3ccc4c(c3)N(C)CCC4)ccc2[nH]1 ZINC000759147375 723000435 /nfs/dbraw/zinc/00/04/35/723000435.db2.gz KTMAYWPCKRNPTG-UHFFFAOYSA-N -1 3 356.451 3.055 20 0 FGADHM CC(C)(C)OC(=O)N[C@H](CCC(=O)[N-]OCC(F)F)c1ccccc1 ZINC000759338047 723003248 /nfs/dbraw/zinc/00/32/48/723003248.db2.gz OYVXOWZZYBQIAK-CYBMUJFWSA-N -1 3 358.385 3.346 20 0 FGADHM CC[C@@H](OC(=O)c1cc(S(=O)(=O)[N-]C)oc1C)c1ccc(C)cc1 ZINC000761109857 723123114 /nfs/dbraw/zinc/12/31/14/723123114.db2.gz SNFFXGCPGNAOSI-OAHLLOKOSA-N -1 3 351.424 3.113 20 0 FGADHM CCc1cc(N)nc(SCc2cc(=O)oc3cc([O-])c(CC)cc23)n1 ZINC000790326309 723127135 /nfs/dbraw/zinc/12/71/35/723127135.db2.gz WYKHUIWNPPLLAX-UHFFFAOYSA-N -1 3 357.435 3.288 20 0 FGADHM Cc1cc(=O)[n-]c(CSCC(=O)Nc2ccccc2C(F)(F)F)n1 ZINC000763207899 723322337 /nfs/dbraw/zinc/32/23/37/723322337.db2.gz FBGXIULUBZLWGL-UHFFFAOYSA-N -1 3 357.357 3.381 20 0 FGADHM CSc1nc(NC(=O)c2cc(NC(=O)OC(C)(C)C)ccc2C)n[n-]1 ZINC000793292824 723421594 /nfs/dbraw/zinc/42/15/94/723421594.db2.gz HPMZCJCBYXGAKY-UHFFFAOYSA-N -1 3 363.443 3.434 20 0 FGADHM [O-]c1ccc(CNC(=S)NCCc2cccs2)cc1Br ZINC000764525375 723421654 /nfs/dbraw/zinc/42/16/54/723421654.db2.gz PQVXJJBTFIKMKG-UHFFFAOYSA-N -1 3 371.325 3.423 20 0 FGADHM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc3c(c2)CCC3)c(C)cc1F ZINC000793351291 723427975 /nfs/dbraw/zinc/42/79/75/723427975.db2.gz VLRPRZQPNHOKLT-UHFFFAOYSA-N -1 3 363.410 3.210 20 0 FGADHM Cc1nc(SC(F)F)sc1CC(=O)NCc1ccc([O-])c(F)c1 ZINC000793689143 723461126 /nfs/dbraw/zinc/46/11/26/723461126.db2.gz KIFSMBVVEDRURN-UHFFFAOYSA-N -1 3 362.398 3.470 20 0 FGADHM O=C(CC1OCCO1)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000793704510 723462024 /nfs/dbraw/zinc/46/20/24/723462024.db2.gz IHQIVFFDSWYJMR-UHFFFAOYSA-N -1 3 356.403 3.370 20 0 FGADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H]1c2ccccc2CCC[C@H]1C ZINC000765157121 723486205 /nfs/dbraw/zinc/48/62/05/723486205.db2.gz AEQZNKBIJFDAMZ-ABAIWWIYSA-N -1 3 367.902 3.374 20 0 FGADHM CSCCO[N-]C(=O)C[C@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000794194665 723496979 /nfs/dbraw/zinc/49/69/79/723496979.db2.gz UXKAAXPYMHGXFT-ZDUSSCGKSA-N -1 3 360.520 3.071 20 0 FGADHM CSCCO[N-]C(=O)CCCCOc1ccc(Br)cc1 ZINC000794193315 723497092 /nfs/dbraw/zinc/49/70/92/723497092.db2.gz KKYMZMGZSBMHNX-UHFFFAOYSA-N -1 3 362.289 3.409 20 0 FGADHM CCN(CC1CCC1)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000794287625 723505598 /nfs/dbraw/zinc/50/55/98/723505598.db2.gz RJWDLQQPSAGDNU-UHFFFAOYSA-N -1 3 370.490 3.165 20 0 FGADHM CCC[C@@H](CC)OC(=O)CS(=O)(=O)[N-]c1ccc(OC(C)C)cc1 ZINC000766404177 723572389 /nfs/dbraw/zinc/57/23/89/723572389.db2.gz PZXXTDRVOYBDGA-OAHLLOKOSA-N -1 3 357.472 3.337 20 0 FGADHM O=S(=O)([N-][C@@H]1CC[C@@H](c2ccc(F)cc2)C1)c1cccnc1Cl ZINC000795250014 723575758 /nfs/dbraw/zinc/57/57/58/723575758.db2.gz CWWJXSRIAUVOIS-TZMCWYRMSA-N -1 3 354.834 3.489 20 0 FGADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000795251559 723576009 /nfs/dbraw/zinc/57/60/09/723576009.db2.gz JQRQHGOPNLJEMO-TZMCWYRMSA-N -1 3 371.865 3.136 20 0 FGADHM O=C(OCc1cc(Br)no1)c1cc(F)cc(Cl)c1[O-] ZINC000795440013 723591474 /nfs/dbraw/zinc/59/14/74/723591474.db2.gz VPWNQAGEJSOEAD-UHFFFAOYSA-N -1 3 350.527 3.292 20 0 FGADHM CS(=O)(=O)[N-]c1cc(C(=O)OC2(C3CC3)CC2)cc(C(F)(F)F)c1 ZINC000796739653 723652844 /nfs/dbraw/zinc/65/28/44/723652844.db2.gz OGRBZZLLKDESCT-UHFFFAOYSA-N -1 3 363.357 3.176 20 0 FGADHM COC(=O)c1[nH]c(C)cc1[N-]S(=O)(=O)/C=C\c1cccc(Cl)c1 ZINC000768882378 723670786 /nfs/dbraw/zinc/67/07/86/723670786.db2.gz SYOXAFWFMAHZAI-SREVYHEPSA-N -1 3 354.815 3.176 20 0 FGADHM O=C(Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)[C@H]1CSC(=O)N1 ZINC000770081655 723705189 /nfs/dbraw/zinc/70/51/89/723705189.db2.gz KHDGKMVSYMAIGQ-GFCCVEGCSA-N -1 3 371.443 3.432 20 0 FGADHM Cc1cc2occ(C(=O)OCC(=O)[N-]C(=O)c3cccs3)c2cc1C ZINC000770491970 723715016 /nfs/dbraw/zinc/71/50/16/723715016.db2.gz SKFRHBPHTNUTIR-UHFFFAOYSA-N -1 3 357.387 3.225 20 0 FGADHM CCOC(=O)c1ccc(NC(=O)c2c(C)noc2C(F)(F)F)c([O-])c1 ZINC000770867191 723722242 /nfs/dbraw/zinc/72/22/42/723722242.db2.gz JDHFEDJPAQLSRP-UHFFFAOYSA-N -1 3 358.272 3.136 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]CCc2ccc(Br)cc2F)o1 ZINC000773297191 723781669 /nfs/dbraw/zinc/78/16/69/723781669.db2.gz LXUVJRBJJXHLJT-UHFFFAOYSA-N -1 3 362.220 3.011 20 0 FGADHM Cc1ccc(NC(=S)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)cc1 ZINC000798373584 723926453 /nfs/dbraw/zinc/92/64/53/723926453.db2.gz HRMFTSDHONYFJM-UHFFFAOYSA-N -1 3 359.417 3.082 20 0 FGADHM O=C(COC(=O)c1cccc(Cl)c1[O-])N1CCC[C@@H](C(F)(F)F)C1 ZINC000775931380 724084747 /nfs/dbraw/zinc/08/47/47/724084747.db2.gz WEBSGVUBUJXWGQ-SECBINFHSA-N -1 3 365.735 3.003 20 0 FGADHM C[C@H](OC(=O)c1cccc(Cl)c1[O-])C(=O)NCCc1ccc(F)cc1 ZINC000775931817 724084850 /nfs/dbraw/zinc/08/48/50/724084850.db2.gz YIGZBEZBQIMPSJ-NSHDSACASA-N -1 3 365.788 3.089 20 0 FGADHM O=C(COC(=O)c1cccc(Cl)c1[O-])Nc1ccccc1OC(F)F ZINC000775934587 724086283 /nfs/dbraw/zinc/08/62/83/724086283.db2.gz AABKKVMZFYXLHN-UHFFFAOYSA-N -1 3 371.723 3.443 20 0 FGADHM O=S(=O)([N-]CCCc1c[nH]c2ccc(F)cc12)c1cccnc1Cl ZINC000800184685 724162344 /nfs/dbraw/zinc/16/23/44/724162344.db2.gz ZQVSOMNKAMRPMN-UHFFFAOYSA-N -1 3 367.833 3.267 20 0 FGADHM CCO[C@@H](C)c1nc(COC(=O)c2cc(F)cc3[n-]nnc32)cs1 ZINC000800262493 724172221 /nfs/dbraw/zinc/17/22/21/724172221.db2.gz LOYALWOGRMAMOL-QMMMGPOBSA-N -1 3 350.375 3.008 20 0 FGADHM CCO[C@@H](C)c1nc(COC(=O)c2cc(F)cc3nn[n-]c32)cs1 ZINC000800262493 724172225 /nfs/dbraw/zinc/17/22/25/724172225.db2.gz LOYALWOGRMAMOL-QMMMGPOBSA-N -1 3 350.375 3.008 20 0 FGADHM CCO[C@@H](C)c1nc(COC(=O)c2cc(F)cc3n[n-]nc32)cs1 ZINC000800262493 724172246 /nfs/dbraw/zinc/17/22/46/724172246.db2.gz LOYALWOGRMAMOL-QMMMGPOBSA-N -1 3 350.375 3.008 20 0 FGADHM O=C(OCc1ccc(Br)cc1F)c1cc(F)cc2[n-]nnc21 ZINC000800264420 724172634 /nfs/dbraw/zinc/17/26/34/724172634.db2.gz SWXUYHJSLFKTHQ-UHFFFAOYSA-N -1 3 368.137 3.356 20 0 FGADHM O=C(OCc1ccc(Br)cc1F)c1cc(F)cc2nn[n-]c21 ZINC000800264420 724172637 /nfs/dbraw/zinc/17/26/37/724172637.db2.gz SWXUYHJSLFKTHQ-UHFFFAOYSA-N -1 3 368.137 3.356 20 0 FGADHM O=C(OCc1ccc(Br)cc1F)c1cc(F)cc2n[n-]nc21 ZINC000800264420 724172640 /nfs/dbraw/zinc/17/26/40/724172640.db2.gz SWXUYHJSLFKTHQ-UHFFFAOYSA-N -1 3 368.137 3.356 20 0 FGADHM CC(C)C[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)CCO1 ZINC000776871565 724191391 /nfs/dbraw/zinc/19/13/91/724191391.db2.gz IXLANEBATYWCGO-GHMZBOCLSA-N -1 3 367.298 3.260 20 0 FGADHM CC(C)(C)OC(=O)N1CC(OCCC(=O)Nc2cc(Cl)ccc2[O-])C1 ZINC000777421749 724224212 /nfs/dbraw/zinc/22/42/12/724224212.db2.gz MXIMVNSWTDKJQX-UHFFFAOYSA-N -1 3 370.833 3.010 20 0 FGADHM COC(=O)c1cc(C)nc2nc(SCCSC(C)C)[n-]c(=O)c12 ZINC000800834350 724233849 /nfs/dbraw/zinc/23/38/49/724233849.db2.gz BCMCXTWQVVIPIN-UHFFFAOYSA-N -1 3 353.469 3.059 20 0 FGADHM CCOC(=O)c1cc(NC(=O)c2ccc(SC(F)(F)F)cc2)[n-]n1 ZINC000777779274 724256186 /nfs/dbraw/zinc/25/61/86/724256186.db2.gz INUGRSDSLRDTKL-UHFFFAOYSA-N -1 3 359.329 3.451 20 0 FGADHM CCOC(=O)c1cc(NC(=O)c2ccc(SC(F)(F)F)cc2)n[n-]1 ZINC000777779274 724256190 /nfs/dbraw/zinc/25/61/90/724256190.db2.gz INUGRSDSLRDTKL-UHFFFAOYSA-N -1 3 359.329 3.451 20 0 FGADHM O=S(=O)([N-]Cc1ccccc1N1CCCCC1)c1cccnc1Cl ZINC000778050551 724290898 /nfs/dbraw/zinc/29/08/98/724290898.db2.gz QRXDTMLPXXGWQC-UHFFFAOYSA-N -1 3 365.886 3.204 20 0 FGADHM Cc1cc(CO)oc1C(=O)O[C@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000801419648 724301033 /nfs/dbraw/zinc/30/10/33/724301033.db2.gz GAMONMXMEWCKEL-SECBINFHSA-N -1 3 362.407 3.325 20 0 FGADHM O=C(CCCc1ccc([O-])c(F)c1)NCCC(=O)OC1CCCCC1 ZINC000801554343 724313262 /nfs/dbraw/zinc/31/32/62/724313262.db2.gz 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725068311 /nfs/dbraw/zinc/06/83/11/725068311.db2.gz AXDHOPAQHSUCPX-UHFFFAOYSA-N -1 3 370.243 3.417 20 0 FGADHM COC(=O)c1cnc(SCC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)[n-]1 ZINC000788504784 725068465 /nfs/dbraw/zinc/06/84/65/725068465.db2.gz HLMZFJUCTCJGLI-GFCCVEGCSA-N -1 3 369.487 3.326 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]C[C@@]2(O)CCCc3ccccc32)sc1Cl ZINC000788900194 725094447 /nfs/dbraw/zinc/09/44/47/725094447.db2.gz KBTRGGWJSRGFBF-INIZCTEOSA-N -1 3 371.911 3.212 20 0 FGADHM CC(=O)c1cccc(NC(=O)c2ccc(C3N=NC(=S)O3)cc2)c1[O-] ZINC000808189626 725187490 /nfs/dbraw/zinc/18/74/90/725187490.db2.gz WDIVVLGYEBJDSV-UHFFFAOYSA-N -1 3 355.375 3.186 20 0 FGADHM O=C(NC[C@@](O)(c1ccccc1)C(F)(F)F)c1cc([O-])ccc1Cl ZINC000810315490 725303878 /nfs/dbraw/zinc/30/38/78/725303878.db2.gz DZKIPCHZXLHFDU-OAHLLOKOSA-N -1 3 359.731 3.226 20 0 FGADHM O=C(OCN1C(=O)c2ccccc2C1=O)c1cc2cc(Cl)sc2[n-]1 ZINC000811393898 725361474 /nfs/dbraw/zinc/36/14/74/725361474.db2.gz HCAAPRGNCJSUFZ-UHFFFAOYSA-N -1 3 360.778 3.293 20 0 FGADHM CC1(C)CCCC[C@H]1NC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000811894402 725384215 /nfs/dbraw/zinc/38/42/15/725384215.db2.gz SKINIZJWPAZKRV-CHWSQXEVSA-N -1 3 363.424 3.055 20 0 FGADHM O=C(CCC(=O)Nc1nnc(C2CCCCC2)s1)[N-]OC/C=C\Cl ZINC000812400158 725395738 /nfs/dbraw/zinc/39/57/38/725395738.db2.gz GHYWQBOIILUMRF-WTKPLQERSA-N -1 3 372.878 3.105 20 0 FGADHM Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)[N-]OC/C=C\Cl ZINC000812407908 725396223 /nfs/dbraw/zinc/39/62/23/725396223.db2.gz FEORPYUSUHGFBB-BAQGIRSFSA-N -1 3 354.237 3.485 20 0 FGADHM C[C@H](CC(=O)[N-]OC1CCOCC1)c1ccc(F)c(Br)c1 ZINC000812545061 725399897 /nfs/dbraw/zinc/39/98/97/725399897.db2.gz WBALTMRPHRZQRR-SNVBAGLBSA-N -1 3 360.223 3.309 20 0 FGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(C3CCC3)c2)ccc1F ZINC000812560381 725400049 /nfs/dbraw/zinc/40/00/49/725400049.db2.gz FFHKRDNLMMCAQI-UHFFFAOYSA-N -1 3 362.426 3.254 20 0 FGADHM Cc1ccc2c(c1)[C@H](NC(=O)NCc1nc(C(F)(F)F)n[n-]1)CCC2 ZINC000813722171 726909038 /nfs/dbraw/zinc/90/90/38/726909038.db2.gz MHPWIJFLDRUEAA-GFCCVEGCSA-N -1 3 353.348 3.009 20 0 FGADHM COc1cc(Br)ccc1OC(=O)c1cc(C(F)(F)F)n[n-]1 ZINC000813811283 726915907 /nfs/dbraw/zinc/91/59/07/726915907.db2.gz XEUMQACKLXVICA-UHFFFAOYSA-N -1 3 365.105 3.419 20 0 FGADHM COc1cc(Br)ccc1OC(=O)c1cc(C(F)(F)F)[n-]n1 ZINC000813811283 726915908 /nfs/dbraw/zinc/91/59/08/726915908.db2.gz XEUMQACKLXVICA-UHFFFAOYSA-N -1 3 365.105 3.419 20 0 FGADHM O=S(=O)([N-][C@H]1CSc2ccccc21)c1ccc(Cl)c2nonc21 ZINC000814383745 726960793 /nfs/dbraw/zinc/96/07/93/726960793.db2.gz VXMGCDJOVAJXKG-JTQLQIEISA-N -1 3 367.839 3.002 20 0 FGADHM COC(=O)c1cc(C(=O)OCc2cc(Cl)ccc2OC(F)F)c[n-]1 ZINC000814531658 726978443 /nfs/dbraw/zinc/97/84/43/726978443.db2.gz LRPWGJAVTDXFNG-UHFFFAOYSA-N -1 3 359.712 3.413 20 0 FGADHM C[C@H]1CN(Cc2c(F)ccc([O-])c2F)CC[C@H]1NC(=O)OC(C)(C)C ZINC000816510907 727169832 /nfs/dbraw/zinc/16/98/32/727169832.db2.gz JGNFGEKOEFOZQM-SMDDNHRTSA-N -1 3 356.413 3.406 20 0 FGADHM CC1([C@@H]2CCCN(C(=O)c3cc([O-])cc(C(F)(F)F)c3)C2)OCCO1 ZINC000816970278 727211023 /nfs/dbraw/zinc/21/10/23/727211023.db2.gz VDIYQGYCGOTSNL-GFCCVEGCSA-N -1 3 359.344 3.026 20 0 FGADHM O=C([N-]Cc1n[nH]c(C2CC2)n1)C(F)(F)c1cc(Cl)ccc1Cl ZINC000817609096 727270774 /nfs/dbraw/zinc/27/07/74/727270774.db2.gz SJGIYEFONCSBLG-UHFFFAOYSA-N -1 3 361.179 3.397 20 0 FGADHM Brc1cccc2c1CC[C@@H]2Nc1ccc(-c2nnn[n-]2)nc1 ZINC000819689133 727389069 /nfs/dbraw/zinc/38/90/69/727389069.db2.gz VZZJDGQEBCQDER-ZDUSSCGKSA-N -1 3 357.215 3.124 20 0 FGADHM Brc1cccc2c1CC[C@@H]2Nc1ccc(-c2nn[n-]n2)nc1 ZINC000819689133 727389071 /nfs/dbraw/zinc/38/90/71/727389071.db2.gz VZZJDGQEBCQDER-ZDUSSCGKSA-N -1 3 357.215 3.124 20 0 FGADHM COc1cccc(S([O-])=CC(=O)Oc2ccc(N3CCCC3)cc2)c1 ZINC000820210305 728974949 /nfs/dbraw/zinc/97/49/49/728974949.db2.gz ZSXWROQDEVRQEV-RUZDIDTESA-N -1 3 359.447 3.009 20 0 FGADHM O=S(=O)(N=S1(=O)CCCC1)[N-]c1ccccc1CCC(F)(F)F ZINC000821184484 729066918 /nfs/dbraw/zinc/06/69/18/729066918.db2.gz BVRVYPXXINLRJT-UHFFFAOYSA-N -1 3 370.418 3.100 20 0 FGADHM FC(F)(F)CCN(Cc1ccc(-c2nnn[n-]2)cc1)CC(F)(F)F ZINC000822714615 729212592 /nfs/dbraw/zinc/21/25/92/729212592.db2.gz QMGVANMTLPXVAD-UHFFFAOYSA-N -1 3 353.270 3.183 20 0 FGADHM FC(F)(F)CCN(Cc1ccc(-c2nn[n-]n2)cc1)CC(F)(F)F ZINC000822714615 729212597 /nfs/dbraw/zinc/21/25/97/729212597.db2.gz QMGVANMTLPXVAD-UHFFFAOYSA-N -1 3 353.270 3.183 20 0 FGADHM CC(C)(C)OC(=O)Nc1ncc(CCC(=O)[N-]OC/C=C/Cl)s1 ZINC000823046143 729247412 /nfs/dbraw/zinc/24/74/12/729247412.db2.gz GVKQYFYRUSNBMQ-QPJJXVBHSA-N -1 3 361.851 3.223 20 0 FGADHM CC(C)[C@@H](Sc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C(=O)N(C)C ZINC000824207694 729324298 /nfs/dbraw/zinc/32/42/98/729324298.db2.gz ZMOKXCQIIRJSDH-GFCCVEGCSA-N -1 3 373.404 3.090 20 0 FGADHM CC(C)[C@@H](Sc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C(=O)N(C)C ZINC000824207694 729324302 /nfs/dbraw/zinc/32/43/02/729324302.db2.gz ZMOKXCQIIRJSDH-GFCCVEGCSA-N -1 3 373.404 3.090 20 0 FGADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H]1CCCCS1 ZINC000824255415 729327211 /nfs/dbraw/zinc/32/72/11/729327211.db2.gz IOUZZPYYZFPLEQ-INIZCTEOSA-N -1 3 359.499 3.137 20 0 FGADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@H]1CCCCS1 ZINC000824255415 729327212 /nfs/dbraw/zinc/32/72/12/729327212.db2.gz IOUZZPYYZFPLEQ-INIZCTEOSA-N -1 3 359.499 3.137 20 0 FGADHM C[C@@H](OC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1cc(Cl)ccc1Cl ZINC000824714566 729356186 /nfs/dbraw/zinc/35/61/86/729356186.db2.gz NWYQWBYJABMYJY-SSDOTTSWSA-N -1 3 352.181 3.420 20 0 FGADHM C[C@@H](OC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1cc(Cl)ccc1Cl ZINC000824714566 729356189 /nfs/dbraw/zinc/35/61/89/729356189.db2.gz NWYQWBYJABMYJY-SSDOTTSWSA-N -1 3 352.181 3.420 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)[C@@H]1CCC[C@@H]1C ZINC000825604693 729389245 /nfs/dbraw/zinc/38/92/45/729389245.db2.gz JXHDVKIYCGYPNK-GXSJLCMTSA-N -1 3 350.806 3.260 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)[C@@H]1CCC[C@@H]1C ZINC000825604693 729389248 /nfs/dbraw/zinc/38/92/48/729389248.db2.gz JXHDVKIYCGYPNK-GXSJLCMTSA-N -1 3 350.806 3.260 20 0 FGADHM Cc1c(Cl)cnc(N(CCC(F)(F)F)CC2CC2)c1-c1nnn[n-]1 ZINC000826237041 729406264 /nfs/dbraw/zinc/40/62/64/729406264.db2.gz LUMYZELPMODCLP-UHFFFAOYSA-N -1 3 360.771 3.392 20 0 FGADHM Cc1c(Cl)cnc(N(CCC(F)(F)F)CC2CC2)c1-c1nn[n-]n1 ZINC000826237041 729406265 /nfs/dbraw/zinc/40/62/65/729406265.db2.gz LUMYZELPMODCLP-UHFFFAOYSA-N -1 3 360.771 3.392 20 0 FGADHM C[S@@](=O)Cc1cc(NCc2ccc(-c3nnn[n-]3)s2)ccc1Cl ZINC000826224855 729406370 /nfs/dbraw/zinc/40/63/70/729406370.db2.gz NNSHEKQFOZZFCP-HSZRJFAPSA-N -1 3 367.887 3.072 20 0 FGADHM Cc1cccc([C@@H](O)CNc2ccc(Br)cc2-c2nnn[n-]2)c1 ZINC000826296720 729406893 /nfs/dbraw/zinc/40/68/93/729406893.db2.gz HDBZEEDWNDNIIJ-HNNXBMFYSA-N -1 3 374.242 3.083 20 0 FGADHM Cc1cccc([C@@H](O)CNc2ccc(Br)cc2-c2nn[n-]n2)c1 ZINC000826296720 729406895 /nfs/dbraw/zinc/40/68/95/729406895.db2.gz HDBZEEDWNDNIIJ-HNNXBMFYSA-N -1 3 374.242 3.083 20 0 FGADHM Fc1cc(F)c2ncc(-c3nnn[n-]3)c(NC[C@@H]3CCCCS3)c2c1 ZINC000826372866 729407605 /nfs/dbraw/zinc/40/76/05/729407605.db2.gz 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CC(C)[C@@H](OC(=O)c1ccc(N)c(Cl)c1[O-])C(=O)N1CCCC[C@@H]1C ZINC000845193765 730818521 /nfs/dbraw/zinc/81/85/21/730818521.db2.gz KQJCYNNWKKZKDZ-MEDUHNTESA-N -1 3 368.861 3.210 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)[C@](C)(O)c1ccccc1 ZINC000845980700 730915066 /nfs/dbraw/zinc/91/50/66/730915066.db2.gz QOZGXQXKRMIJEE-BZNIZROVSA-N -1 3 357.834 3.054 20 0 FGADHM O=C([N-]CC1CCN(C(=O)c2ccc(C3CC3)cc2)CC1)C(F)(F)F ZINC000847099884 731020908 /nfs/dbraw/zinc/02/09/08/731020908.db2.gz RANJJLVMWVPADX-UHFFFAOYSA-N -1 3 354.372 3.095 20 0 FGADHM O=S(=O)([N-]C[C@@H]1CCC2(CCCC2)O1)c1cnc(Cl)c(Cl)c1 ZINC000848512684 731173501 /nfs/dbraw/zinc/17/35/01/731173501.db2.gz LNIHUFIJDDOCCG-JTQLQIEISA-N -1 3 365.282 3.159 20 0 FGADHM O=C([O-])[C@@H](NCc1ccc(O[C@H]2CCOC2)cc1)c1ccc(Cl)cc1 ZINC000849230410 731236896 /nfs/dbraw/zinc/23/68/96/731236896.db2.gz GBBDFLLMKTYASO-ROUUACIJSA-N -1 3 361.825 3.423 20 0 FGADHM CC[C@@H](COC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])CC(F)F ZINC000849684425 731272331 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CCCOc1cncc([N-]S(=O)(=O)C2=Cc3ccccc3OCC2)c1 ZINC000863448735 732964640 /nfs/dbraw/zinc/96/46/40/732964640.db2.gz AQXAWCMLYIXMIJ-UHFFFAOYSA-N -1 3 360.435 3.436 20 0 FGADHM C[C@H](NCc1nc2c(c(=O)[n-]1)COCC2)c1cc(Cl)ccc1Cl ZINC000866628242 733376453 /nfs/dbraw/zinc/37/64/53/733376453.db2.gz LYMXRUQAAJDWLJ-VIFPVBQESA-N -1 3 354.237 3.413 20 0 FGADHM CCC(C)(C)CCS(=O)(=O)[N-]C1(c2noc(C(F)F)n2)CCC1 ZINC000867297602 733465901 /nfs/dbraw/zinc/46/59/01/733465901.db2.gz FIKRJUGGMBVQCF-UHFFFAOYSA-N -1 3 351.419 3.132 20 0 FGADHM Cc1ncc([C@@H](C)[N-]S(=O)(=O)c2cc(Cl)cnc2Cl)s1 ZINC000867618941 733501180 /nfs/dbraw/zinc/50/11/80/733501180.db2.gz AJFNSFNCGBZTNR-ZCFIWIBFSA-N -1 3 352.268 3.193 20 0 FGADHM Cc1cccc2cc(S(=O)(=O)[N-]Cc3nn(C)cc3C(F)F)sc21 ZINC000867793567 733518511 /nfs/dbraw/zinc/51/85/11/733518511.db2.gz IKVVZTYLCWDQEC-UHFFFAOYSA-N -1 3 371.434 3.359 20 0 FGADHM O=C(CCCc1nnc(-c2ccccc2)o1)[N-]OCCCC(F)(F)F ZINC000871211471 733923225 /nfs/dbraw/zinc/92/32/25/733923225.db2.gz 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20 0 FGADHM Cc1ccc(-c2cc(C(=O)[N-]c3nc4c(s3)CN(C)CC4)on2)cc1 ZINC000031214807 493932687 /nfs/dbraw/zinc/93/26/87/493932687.db2.gz SIJQGLHFCHAPHI-UHFFFAOYSA-N -1 3 354.435 3.347 20 0 FGADHM Cc1nc(C)c(CC(=O)N(C)[C@H](C)c2ccc(Cl)cc2Cl)c(=O)[n-]1 ZINC000031285434 493936509 /nfs/dbraw/zinc/93/65/09/493936509.db2.gz ZEEGWPQVDKZEEP-SNVBAGLBSA-N -1 3 368.264 3.456 20 0 FGADHM CN(C[C@H]1CCCO[C@@H]1c1ccccc1)C(=O)c1ccc2n[n-]nc2c1 ZINC000050866949 493937618 /nfs/dbraw/zinc/93/76/18/493937618.db2.gz ISQDAQMWAHIOQD-VQIMIIECSA-N -1 3 350.422 3.198 20 0 FGADHM O=S(=O)([N-]C1CCN(Cc2ccccc2)CC1)c1ccc(Cl)s1 ZINC000005773344 493942742 /nfs/dbraw/zinc/94/27/42/493942742.db2.gz VCPLIHOJHHMILR-UHFFFAOYSA-N -1 3 370.927 3.344 20 0 FGADHM O=S(=O)([N-]Cc1cscn1)c1cc(C(F)(F)F)ccc1Cl ZINC000051159962 493952264 /nfs/dbraw/zinc/95/22/64/493952264.db2.gz WUOVONKVUAWQNO-UHFFFAOYSA-N -1 3 356.778 3.294 20 0 FGADHM O=C(NCc1cccc(COCc2ccco2)c1)c1ccc2n[n-]nc2c1 ZINC000031955512 493966992 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494029591 /nfs/dbraw/zinc/02/95/91/494029591.db2.gz FXUPDWFQEQSSPS-UHFFFAOYSA-N -1 3 352.847 3.061 20 0 FGADHM O=C(c1c[n-]c2ccccc2c1=O)N1CCN(c2ccccc2Cl)CC1 ZINC000032978218 494034353 /nfs/dbraw/zinc/03/43/53/494034353.db2.gz APPPZMYNMZBLFW-UHFFFAOYSA-N -1 3 367.836 3.144 20 0 FGADHM CCOCCOc1ccc(S(=O)(=O)[N-]c2ccc(C)c(O)c2C)cc1 ZINC000063442993 494053955 /nfs/dbraw/zinc/05/39/55/494053955.db2.gz LFUIEBQJVKWGDJ-UHFFFAOYSA-N -1 3 365.451 3.225 20 0 FGADHM CC(C)(C)OC(=O)CCC[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000034254016 494065336 /nfs/dbraw/zinc/06/53/36/494065336.db2.gz YXCKFFAMXMCAJO-UHFFFAOYSA-N -1 3 368.282 3.394 20 0 FGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N(CCC(F)(F)F)CC1CC1 ZINC000084373141 494067837 /nfs/dbraw/zinc/06/78/37/494067837.db2.gz OMZFODNJHMYDHF-UHFFFAOYSA-N -1 3 359.392 3.180 20 0 FGADHM CCCOc1ncccc1C[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000063629323 494071955 /nfs/dbraw/zinc/07/19/55/494071955.db2.gz DHJXDNKZFOFUOR-UHFFFAOYSA-N -1 3 358.822 3.141 20 0 FGADHM CC(C)CC(C)(C)C(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000084522175 494077839 /nfs/dbraw/zinc/07/78/39/494077839.db2.gz SXSCIJOKMIGCSA-UHFFFAOYSA-N -1 3 372.556 3.090 20 0 FGADHM Cc1ccc(C(=O)NC2CCN(C(=O)c3ccccc3F)CC2)c([O-])c1C ZINC000053019768 494084367 /nfs/dbraw/zinc/08/43/67/494084367.db2.gz SIBMUUCGGLDZAG-UHFFFAOYSA-N -1 3 370.424 3.183 20 0 FGADHM COc1ccc(C(C)(C)C[N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000063773750 494086210 /nfs/dbraw/zinc/08/62/10/494086210.db2.gz MILLQRWTNZYECM-UHFFFAOYSA-N -1 3 355.406 3.230 20 0 FGADHM CCCC[C@H](CCC)CNC(=O)c1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000084827061 494100740 /nfs/dbraw/zinc/10/07/40/494100740.db2.gz LWCDEHUWKMMJCF-VBKZILBWSA-N -1 3 359.470 3.078 20 0 FGADHM C[C@H](Cc1ccc(Br)cc1)NC(=O)c1ccc2n[n-]nc2c1 ZINC000053416727 494128603 /nfs/dbraw/zinc/12/86/03/494128603.db2.gz KUOAZDIKNWYTRF-SNVBAGLBSA-N -1 3 359.227 3.081 20 0 FGADHM O=C(Nc1ccc(C2=NNC(=O)CC2)cc1)c1cc2c(cc1[O-])CCCC2 ZINC000085573720 494131818 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/nfs/dbraw/zinc/85/43/34/494854334.db2.gz SUKVYPCQBKKQNM-VXGBXAGGSA-N -1 3 372.537 3.009 20 0 FGADHM CCN(Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[n-]1)C1CCCCC1 ZINC000027285215 494861058 /nfs/dbraw/zinc/86/10/58/494861058.db2.gz YVCSEQIVDMHHQQ-UHFFFAOYSA-N -1 3 363.483 3.234 20 0 FGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)CCc1cc(F)ccc1F ZINC000093312730 494866300 /nfs/dbraw/zinc/86/63/00/494866300.db2.gz AJUWFDXIYZVVFA-UHFFFAOYSA-N -1 3 352.337 3.263 20 0 FGADHM COc1ccc([O-])c(C(=O)N2CCC[C@H](C(=O)c3ccc(F)cc3)C2)c1 ZINC000132398643 494867640 /nfs/dbraw/zinc/86/76/40/494867640.db2.gz LWQLIQIFRINBLO-AWEZNQCLSA-N -1 3 357.381 3.275 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC(Oc3ccc(C)cc3)CC2)c1 ZINC000116980952 494879540 /nfs/dbraw/zinc/87/95/40/494879540.db2.gz RSTDDXCMQQPZMR-UHFFFAOYSA-N -1 3 368.433 3.343 20 0 FGADHM O=C(NC1CC1)[C@H](Sc1nnc(-c2ccccn2)[n-]1)c1ccc(F)cc1 ZINC000117113485 494891680 /nfs/dbraw/zinc/89/16/80/494891680.db2.gz ROHKBAPDKLEOEM-OAHLLOKOSA-N -1 3 369.425 3.118 20 0 FGADHM O=C(NC1CC1)[C@H](Sc1n[n-]c(-c2ccccn2)n1)c1ccc(F)cc1 ZINC000117113485 494891683 /nfs/dbraw/zinc/89/16/83/494891683.db2.gz ROHKBAPDKLEOEM-OAHLLOKOSA-N -1 3 369.425 3.118 20 0 FGADHM CC(C)[C@H](Sc1n[n-]c(-c2ccccn2)n1)C(=O)N1CCCC[C@@H]1C ZINC000117114018 494892285 /nfs/dbraw/zinc/89/22/85/494892285.db2.gz WIUZVSDKQUNYEO-ZFWWWQNUSA-N -1 3 359.499 3.384 20 0 FGADHM Cc1ccc(Cn2cccc(NC(=O)c3cc(-c4ccco4)[n-]n3)c2=O)cc1 ZINC000132690121 494910116 /nfs/dbraw/zinc/91/01/16/494910116.db2.gz RXUKJFISIQCWOW-UHFFFAOYSA-N -1 3 374.400 3.440 20 0 FGADHM Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NCc1ccc([O-])c(F)c1 ZINC000132710026 494912852 /nfs/dbraw/zinc/91/28/52/494912852.db2.gz LSKYEHHAVDQFCU-UHFFFAOYSA-N -1 3 357.360 3.403 20 0 FGADHM COCCOC(=O)c1sc2[n-]c(-c3cscc3C)nc(=O)c2c1C ZINC000132811437 494927855 /nfs/dbraw/zinc/92/78/55/494927855.db2.gz RMGRXUVIBXTARP-UHFFFAOYSA-N -1 3 364.448 3.133 20 0 FGADHM Cc1ccc(C(=O)N(C)[C@H]2CCN(c3ccccc3Cl)C2=O)c([O-])c1 ZINC000109967313 494934939 /nfs/dbraw/zinc/93/49/39/494934939.db2.gz BNVZUKIKELGLTL-INIZCTEOSA-N -1 3 358.825 3.232 20 0 FGADHM O=C(c1cc(OCc2ccccc2)ccc1[O-])N1CCCC[C@@H]1CCO ZINC000093940997 494937470 /nfs/dbraw/zinc/93/74/70/494937470.db2.gz NRVZWYQOVMGACI-QGZVFWFLSA-N -1 3 355.434 3.348 20 0 FGADHM Cc1ccc(-n2nc(C(=O)NCc3ccc([O-])c(F)c3)c3c2CCC3)cc1 ZINC000132915299 494942314 /nfs/dbraw/zinc/94/23/14/494942314.db2.gz JQFTWGJXPOFWOL-UHFFFAOYSA-N -1 3 365.408 3.444 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](c2ccccc2)c2ccncc2)c1 ZINC000122247255 494946332 /nfs/dbraw/zinc/94/63/32/494946332.db2.gz CLKMSBYOHCAXBD-HXUWFJFHSA-N -1 3 361.401 3.265 20 0 FGADHM COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1C(=O)c1ccc(C)cc1[O-] ZINC000117708176 494947625 /nfs/dbraw/zinc/94/76/25/494947625.db2.gz DNDBTKQTMGIDME-KRWDZBQOSA-N -1 3 368.433 3.261 20 0 FGADHM CC(=O)Nc1ccc(S[C@H](C)C(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000132972912 494950643 /nfs/dbraw/zinc/95/06/43/494950643.db2.gz YNMLRJLUFCNPGJ-LLVKDONJSA-N -1 3 362.426 3.287 20 0 FGADHM CC(C)c1cc(C(=O)N(C)[C@@H](C)CS(C)(=O)=O)c([O-])c(C(C)C)c1 ZINC000094132123 494952762 /nfs/dbraw/zinc/95/27/62/494952762.db2.gz OBBJYMDQEGCKAF-ZDUSSCGKSA-N -1 3 355.500 3.144 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-]C[C@@H](C)Oc1ccc(Cl)cc1 ZINC000122333837 494959400 /nfs/dbraw/zinc/95/94/00/494959400.db2.gz XQPCBCGDKCRABL-SNVBAGLBSA-N -1 3 361.872 3.156 20 0 FGADHM Cc1nc(C(C)(C)[N-]S(=O)(=O)c2cc(F)c(F)cc2F)sc1C ZINC000122400297 494969185 /nfs/dbraw/zinc/96/91/85/494969185.db2.gz GVXVLDYQPULPEL-UHFFFAOYSA-N -1 3 364.414 3.391 20 0 FGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1ccc(Oc2ccccc2)nc1 ZINC000122488984 494984298 /nfs/dbraw/zinc/98/42/98/494984298.db2.gz MRFJZBMHOLQPHE-UHFFFAOYSA-N -1 3 358.361 3.306 20 0 FGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1ccc(Oc2ccccc2)nc1 ZINC000122488984 494984301 /nfs/dbraw/zinc/98/43/01/494984301.db2.gz MRFJZBMHOLQPHE-UHFFFAOYSA-N -1 3 358.361 3.306 20 0 FGADHM Cc1ccc(NC(=O)c2ccc(Br)cc2-n2cncn2)c([O-])c1 ZINC000122527816 494988469 /nfs/dbraw/zinc/98/84/69/494988469.db2.gz YPBASCGIZGTFDV-UHFFFAOYSA-N -1 3 373.210 3.296 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)NCc2ccccc2OC2CCC2)c1 ZINC000118528916 495007136 /nfs/dbraw/zinc/00/71/36/495007136.db2.gz QVVDEZMNGCEFKY-UHFFFAOYSA-N -1 3 354.406 3.212 20 0 FGADHM COc1cccc(NC2CCN(C(=O)c3cccc(OC)c3[O-])CC2)c1 ZINC000127891702 495013452 /nfs/dbraw/zinc/01/34/52/495013452.db2.gz AWUWEZRKRWGLPM-UHFFFAOYSA-N -1 3 356.422 3.126 20 0 FGADHM CC[C@H](NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)c1cccs1 ZINC000128047588 495036386 /nfs/dbraw/zinc/03/63/86/495036386.db2.gz WEXITHZPFJUDMQ-HNNXBMFYSA-N -1 3 373.478 3.072 20 0 FGADHM Cc1nc(C)c(CCC(=O)Nc2nc3c(s2)CCCCCC3)c(=O)[n-]1 ZINC000097667095 495041032 /nfs/dbraw/zinc/04/10/32/495041032.db2.gz BLTWLTQOYGDNAJ-UHFFFAOYSA-N -1 3 360.483 3.074 20 0 FGADHM COc1cccc(C(=O)NCC2(c3ccccc3C)CCOCC2)c1[O-] ZINC000097681058 495041834 /nfs/dbraw/zinc/04/18/34/495041834.db2.gz IJRNHXXHAHASAG-UHFFFAOYSA-N -1 3 355.434 3.187 20 0 FGADHM Cc1csc([C@H]([N-]S(=O)(=O)Cc2c(F)cccc2F)C2CC2)n1 ZINC000122884690 495045936 /nfs/dbraw/zinc/04/59/36/495045936.db2.gz AZFPIWQELLDLFF-CQSZACIVSA-N -1 3 358.435 3.300 20 0 FGADHM Cc1nc(C(C)(C)[N-]S(=O)(=O)Cc2c(F)cccc2F)sc1C ZINC000122881128 495046000 /nfs/dbraw/zinc/04/60/00/495046000.db2.gz LIZNGIDNRBBGAH-UHFFFAOYSA-N -1 3 360.451 3.393 20 0 FGADHM Cc1[nH]nc2cc([N-]S(=O)(=O)C[C@]34CC[C@H](CC3=O)C4(C)C)ccc12 ZINC000133685118 495046260 /nfs/dbraw/zinc/04/62/60/495046260.db2.gz LNWBPYDTAYNDOK-KZULUSFZSA-N -1 3 361.467 3.008 20 0 FGADHM Cc1n[nH]c2cc([N-]S(=O)(=O)C[C@]34CC[C@H](CC3=O)C4(C)C)ccc12 ZINC000133685118 495046265 /nfs/dbraw/zinc/04/62/65/495046265.db2.gz LNWBPYDTAYNDOK-KZULUSFZSA-N -1 3 361.467 3.008 20 0 FGADHM Cc1cccc(C(=O)Nc2nc(CN3C[C@H](C)O[C@@H](C)C3)cs2)c1[O-] ZINC000122983233 495063360 /nfs/dbraw/zinc/06/33/60/495063360.db2.gz CPGXOYNBEQOJTF-STQMWFEESA-N -1 3 361.467 3.019 20 0 FGADHM Cc1ccc2ncc(C(=O)[O-])c(N3CC[C@H](Cc4cnn(C)c4)C3)c2c1 ZINC000580434434 505758833 /nfs/dbraw/zinc/75/88/33/505758833.db2.gz LEZWQHGVMWRZQG-CQSZACIVSA-N -1 3 350.422 3.044 20 0 FGADHM O=C(CCCNC(=O)c1ccc(Cl)cc1)Nc1cccc([O-])c1F ZINC000128326723 495079920 /nfs/dbraw/zinc/07/99/20/495079920.db2.gz ZFPUYMRGMJTSBT-UHFFFAOYSA-N -1 3 350.777 3.333 20 0 FGADHM CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000123116362 495082986 /nfs/dbraw/zinc/08/29/86/495082986.db2.gz ZMRXFOOFPFFDSQ-HKUYNNGSSA-N -1 3 353.466 3.114 20 0 FGADHM CC(C)c1cc(C(=O)N2CCO[C@@H](Cn3cccn3)C2)c([O-])c(C(C)C)c1 ZINC000111650005 495091932 /nfs/dbraw/zinc/09/19/32/495091932.db2.gz VLVGDZNBGFSZDB-QGZVFWFLSA-N -1 3 371.481 3.377 20 0 FGADHM Cc1ccc(C(=O)N2CCC[C@@H](C3N=NC(=S)N3C(C)C)C2)c([O-])c1C ZINC000111657753 495092824 /nfs/dbraw/zinc/09/28/24/495092824.db2.gz PRUIIIBHWNWWQF-CQSZACIVSA-N -1 3 374.510 3.490 20 0 FGADHM O=C(c1ccc([O-])cc1)N1CCN([C@@H]2CCCc3ccc(F)cc32)CC1 ZINC000134013015 495094054 /nfs/dbraw/zinc/09/40/54/495094054.db2.gz PYRNXLHMKMLYCC-HXUWFJFHSA-N -1 3 354.425 3.367 20 0 FGADHM CCc1nc(CC[N-]S(=O)(=O)c2cc(C)c(F)cc2Cl)cs1 ZINC000119114010 495095835 /nfs/dbraw/zinc/09/58/35/495095835.db2.gz PXQYUYXMRZFBNA-UHFFFAOYSA-N -1 3 362.879 3.327 20 0 FGADHM Cn1ncc2c1ncc(C(=O)N1CCC[C@H]1c1cccc(Cl)c1)c2[O-] ZINC000119162409 495108049 /nfs/dbraw/zinc/10/80/49/495108049.db2.gz QQQLXUBUHZHROO-HNNXBMFYSA-N -1 3 356.813 3.305 20 0 FGADHM CSc1ccc(N2C[C@@H](C(=O)Nc3cccc([O-])c3F)CC2=O)cc1 ZINC000128536933 495112880 /nfs/dbraw/zinc/11/28/80/495112880.db2.gz ICODCKFCNBSLQJ-NSHDSACASA-N -1 3 360.410 3.245 20 0 FGADHM CCN(CC)Cc1nc(C2(NC(=O)c3cc(C)ccc3[O-])CCCC2)no1 ZINC000119221059 495120203 /nfs/dbraw/zinc/12/02/03/495120203.db2.gz VBRJCCLWSAVOMX-UHFFFAOYSA-N -1 3 372.469 3.125 20 0 FGADHM O=C(CCNC(=O)C1CCCCC1)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000134219153 495123101 /nfs/dbraw/zinc/12/31/01/495123101.db2.gz JIBMCVJYIZBCIS-UHFFFAOYSA-N -1 3 358.360 3.436 20 0 FGADHM O=C(Nc1ccn(-c2cccc(C(F)(F)F)c2)n1)c1cccc2nn[n-]c21 ZINC000119238266 495124560 /nfs/dbraw/zinc/12/45/60/495124560.db2.gz YPAPCHOEWMJGHM-UHFFFAOYSA-N -1 3 372.310 3.415 20 0 FGADHM O=C(Nc1ccn(-c2cccc(C(F)(F)F)c2)n1)c1cccc2[n-]nnc21 ZINC000119238266 495124563 /nfs/dbraw/zinc/12/45/63/495124563.db2.gz YPAPCHOEWMJGHM-UHFFFAOYSA-N -1 3 372.310 3.415 20 0 FGADHM O=C(Nc1ccn(-c2cccc(C(F)(F)F)c2)n1)c1cccc2n[n-]nc21 ZINC000119238266 495124566 /nfs/dbraw/zinc/12/45/66/495124566.db2.gz YPAPCHOEWMJGHM-UHFFFAOYSA-N -1 3 372.310 3.415 20 0 FGADHM CCOc1ccc(OCCCC(=O)Nc2cc(-c3nccn3C)[n-]n2)cc1 ZINC000119342242 495146708 /nfs/dbraw/zinc/14/67/08/495146708.db2.gz UJEODJFRJRRUNO-UHFFFAOYSA-N -1 3 369.425 3.007 20 0 FGADHM CCOc1ccc(OCCCC(=O)Nc2cc(-c3nccn3C)n[n-]2)cc1 ZINC000119342242 495146711 /nfs/dbraw/zinc/14/67/11/495146711.db2.gz UJEODJFRJRRUNO-UHFFFAOYSA-N -1 3 369.425 3.007 20 0 FGADHM CC(C)C[C@@H](C(=O)Nc1ccc([O-])cc1F)N1C(=O)c2ccccc2C1=O ZINC000119361564 495150715 /nfs/dbraw/zinc/15/07/15/495150715.db2.gz WKLFBIGUANWCER-KRWDZBQOSA-N -1 3 370.380 3.181 20 0 FGADHM Cc1cccc(-c2cccc(CNC(=O)Cc3c(C)nc(C)[n-]c3=O)c2)c1 ZINC000102651095 495151174 /nfs/dbraw/zinc/15/11/74/495151174.db2.gz DAWPWQKDRJRLTN-UHFFFAOYSA-N -1 3 361.445 3.221 20 0 FGADHM COc1cc(Cl)c(S(=O)(=O)[N-]CCCCSC)cc1Cl ZINC000128830892 495156385 /nfs/dbraw/zinc/15/63/85/495156385.db2.gz CDWLQMXBFIQTBN-UHFFFAOYSA-N -1 3 358.312 3.424 20 0 FGADHM Cc1nc(C)c(CCC(=O)NCC(C)(C)c2ccccc2Cl)c(=O)[n-]1 ZINC000102747131 495158371 /nfs/dbraw/zinc/15/83/71/495158371.db2.gz XPBCNXDADCJOGU-UHFFFAOYSA-N -1 3 361.873 3.067 20 0 FGADHM CC(C)(C)c1ccc(C(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000128862212 495160598 /nfs/dbraw/zinc/16/05/98/495160598.db2.gz RXPCRDHXHDBQNP-UHFFFAOYSA-N -1 3 366.381 3.325 20 0 FGADHM CC(C)(C)c1ccc(C(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000128862212 495160599 /nfs/dbraw/zinc/16/05/99/495160599.db2.gz RXPCRDHXHDBQNP-UHFFFAOYSA-N -1 3 366.381 3.325 20 0 FGADHM O=C(c1ccc(F)cc1[O-])N1CCCN(CCCc2ccccc2)CC1 ZINC000123626233 495162339 /nfs/dbraw/zinc/16/23/39/495162339.db2.gz KUYQLGZZVRHXGI-UHFFFAOYSA-N -1 3 356.441 3.312 20 0 FGADHM Cn1ccnc1-c1cc(NC(=O)c2ccc(Oc3cccnc3)cc2)n[n-]1 ZINC000119549559 495188428 /nfs/dbraw/zinc/18/84/28/495188428.db2.gz PKIHCEVYYGPFOV-UHFFFAOYSA-N -1 3 360.377 3.250 20 0 FGADHM Cn1ccnc1-c1cc(NC(=O)c2ccc(Oc3cccnc3)cc2)[n-]n1 ZINC000119549559 495188429 /nfs/dbraw/zinc/18/84/29/495188429.db2.gz PKIHCEVYYGPFOV-UHFFFAOYSA-N -1 3 360.377 3.250 20 0 FGADHM COc1cccc(C(=O)NCCCc2nc(-c3ccncc3)cs2)c1[O-] ZINC000103278025 495211509 /nfs/dbraw/zinc/21/15/09/495211509.db2.gz JSVCSXNADZPCPZ-UHFFFAOYSA-N -1 3 369.446 3.282 20 0 FGADHM COc1ccccc1[C@@H](NC(=O)c1ccc(O)cc1[O-])c1ccccn1 ZINC000129255257 495218444 /nfs/dbraw/zinc/21/84/44/495218444.db2.gz OJGYDRYOJGXPRV-LJQANCHMSA-N -1 3 350.374 3.021 20 0 FGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]Cc3nccs3)s2)cs1 ZINC000119706908 495223398 /nfs/dbraw/zinc/22/33/98/495223398.db2.gz OTUHAWUXDOLJNX-UHFFFAOYSA-N -1 3 357.507 3.115 20 0 FGADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)c2nccs2)sc1Br ZINC000124088104 495232152 /nfs/dbraw/zinc/23/21/52/495232152.db2.gz IIASOPGHGNJNET-ZETCQYMHSA-N -1 3 367.315 3.315 20 0 FGADHM C[C@H](CSCc1ccccc1)C(=O)Nc1cc(-c2nccn2C)[n-]n1 ZINC000119820673 495248277 /nfs/dbraw/zinc/24/82/77/495248277.db2.gz YRGWSPOSBQQQCW-CYBMUJFWSA-N -1 3 355.467 3.318 20 0 FGADHM C[C@H](CSCc1ccccc1)C(=O)Nc1cc(-c2nccn2C)n[n-]1 ZINC000119820673 495248278 /nfs/dbraw/zinc/24/82/78/495248278.db2.gz YRGWSPOSBQQQCW-CYBMUJFWSA-N -1 3 355.467 3.318 20 0 FGADHM Cc1ccc(C(C)C)c(OCC(=O)Nc2cc(-c3nccn3C)[n-]n2)c1 ZINC000119840516 495252406 /nfs/dbraw/zinc/25/24/06/495252406.db2.gz GENSGLMRUQDFOX-UHFFFAOYSA-N -1 3 353.426 3.260 20 0 FGADHM Cc1ccc(C(C)C)c(OCC(=O)Nc2cc(-c3nccn3C)n[n-]2)c1 ZINC000119840516 495252408 /nfs/dbraw/zinc/25/24/08/495252408.db2.gz GENSGLMRUQDFOX-UHFFFAOYSA-N -1 3 353.426 3.260 20 0 FGADHM O=S(=O)([N-][C@@H]1C[C@H]1c1ccccc1Br)c1cccs1 ZINC000104756544 495303233 /nfs/dbraw/zinc/30/32/33/495303233.db2.gz HFAZWNLHNVMEAW-CMPLNLGQSA-N -1 3 358.282 3.345 20 0 FGADHM CS(=O)(=O)c1ccsc1[N-]C(=O)c1csc(-c2ccoc2)n1 ZINC000135520412 495306156 /nfs/dbraw/zinc/30/61/56/495306156.db2.gz YNAJYNVMQGLESD-UHFFFAOYSA-N -1 3 354.434 3.120 20 0 FGADHM O=C(CCSc1ccccc1F)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000135556023 495310510 /nfs/dbraw/zinc/31/05/10/495310510.db2.gz UEKXEFJCHFLENI-UHFFFAOYSA-N -1 3 357.414 3.051 20 0 FGADHM O=C(CCSc1ccccc1F)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000135556023 495310516 /nfs/dbraw/zinc/31/05/16/495310516.db2.gz UEKXEFJCHFLENI-UHFFFAOYSA-N -1 3 357.414 3.051 20 0 FGADHM O=C(c1ccc2c(c1)C(=O)[N-]C2=O)N1CCC[C@H]1c1cccc(Cl)c1 ZINC000104854832 495310575 /nfs/dbraw/zinc/31/05/75/495310575.db2.gz YTYBQVKVFHBVPE-INIZCTEOSA-N -1 3 354.793 3.201 20 0 FGADHM O=C(Cc1csc(NC(=O)c2ccccc2)n1)Nc1ccc([O-])cc1F ZINC000124640259 495321085 /nfs/dbraw/zinc/32/10/85/495321085.db2.gz DCVKNZGKGOVPIZ-UHFFFAOYSA-N -1 3 371.393 3.421 20 0 FGADHM CCn1c(CNC[C@@H](Cc2ccccc2OC)C(=O)[O-])nc2ccccc21 ZINC000580507897 505774446 /nfs/dbraw/zinc/77/44/46/505774446.db2.gz GARUBRFSRGUPTO-MRXNPFEDSA-N -1 3 367.449 3.098 20 0 FGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@H](C)C[C@@H]3CCCO3)s2)cs1 ZINC000120213336 495329129 /nfs/dbraw/zinc/32/91/29/495329129.db2.gz XIBBZPHWBCHZBE-PWSUYJOCSA-N -1 3 372.537 3.416 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)cc(COC)c1)c1nccs1 ZINC000577683166 505775205 /nfs/dbraw/zinc/77/52/05/505775205.db2.gz AQYYCGFERULJJI-ZDUSSCGKSA-N -1 3 360.888 3.373 20 0 FGADHM C[C@H](c1ccccc1F)N(C)C(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000124814962 495348541 /nfs/dbraw/zinc/34/85/41/495348541.db2.gz NEUUBHLPDKFOOC-LLVKDONJSA-N -1 3 368.405 3.170 20 0 FGADHM O=C(Cc1ccc([O-])cc1Cl)NCc1ccccc1Cn1cccn1 ZINC000136096223 495355558 /nfs/dbraw/zinc/35/55/58/495355558.db2.gz CQHXPGLIZJKSGP-UHFFFAOYSA-N -1 3 355.825 3.149 20 0 FGADHM COc1cc(NC(=O)Cc2ccc([O-])cc2Cl)ccc1N1CCCC1=O ZINC000136112003 495356679 /nfs/dbraw/zinc/35/66/79/495356679.db2.gz RYHIKBJGPVDEHM-UHFFFAOYSA-N -1 3 374.824 3.362 20 0 FGADHM CC(=O)c1cccc(NC(=O)c2ccccc2S(=O)(=O)C(C)C)c1[O-] ZINC000568794960 505778744 /nfs/dbraw/zinc/77/87/44/505778744.db2.gz YUBSDJSGYRBCLQ-UHFFFAOYSA-N -1 3 361.419 3.029 20 0 FGADHM Cc1ccc(C(=O)N[C@@H](CC(=O)[N-]C2=NCCS2)c2ccccc2)cc1 ZINC000105577881 495372958 /nfs/dbraw/zinc/37/29/58/495372958.db2.gz CRAOOVJGLYVKMA-KRWDZBQOSA-N -1 3 367.474 3.075 20 0 FGADHM COc1ccc2c(c1)[n-]cc(C(=O)N1CCC[C@H](c3nccs3)C1)c2=O ZINC000114630611 495400507 /nfs/dbraw/zinc/40/05/07/495400507.db2.gz QCOWMKLZBMOZFL-LBPRGKRZSA-N -1 3 369.446 3.425 20 0 FGADHM COc1ccccc1S(=O)(=O)[N-]c1cc(F)ccc1Br ZINC000130509104 495403430 /nfs/dbraw/zinc/40/34/30/495403430.db2.gz UZUJJLAPEJUDCK-UHFFFAOYSA-N -1 3 360.204 3.398 20 0 FGADHM O=C(Cn1ccc(=O)c2ccccc21)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000125265349 495416051 /nfs/dbraw/zinc/41/60/51/495416051.db2.gz AHEYYJSGEFAXFR-UHFFFAOYSA-N -1 3 362.307 3.365 20 0 FGADHM Cc1cc2occ(CC(=O)Nc3ccc(Cc4nnn[n-]4)cc3)c2cc1C ZINC000136995362 495416762 /nfs/dbraw/zinc/41/67/62/495416762.db2.gz SRQJNBXGRSWIDF-UHFFFAOYSA-N -1 3 361.405 3.335 20 0 FGADHM Cc1cc2occ(CC(=O)Nc3ccc(Cc4nn[n-]n4)cc3)c2cc1C ZINC000136995362 495416763 /nfs/dbraw/zinc/41/67/63/495416763.db2.gz SRQJNBXGRSWIDF-UHFFFAOYSA-N -1 3 361.405 3.335 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](C)c2cn(C(C)(C)C)nc2C)c1 ZINC000137296882 495435300 /nfs/dbraw/zinc/43/53/00/495435300.db2.gz JPNGUROIUFIADS-LLVKDONJSA-N -1 3 358.442 3.102 20 0 FGADHM Cc1nn2c(nnc2SCc2csc(-c3ccccc3F)n2)[n-]c1=O ZINC000114860915 495436399 /nfs/dbraw/zinc/43/63/99/495436399.db2.gz IYSNMXIXOPZKBU-UHFFFAOYSA-N -1 3 374.426 3.088 20 0 FGADHM O=C(CCn1c(=O)oc2ccccc21)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000125391123 495436707 /nfs/dbraw/zinc/43/67/07/495436707.db2.gz RGHDCFUJWHACQE-UHFFFAOYSA-N -1 3 366.295 3.348 20 0 FGADHM Cc1ccc2[nH]cc(CCC(=O)Nc3ccc(Cc4nnn[n-]4)cc3)c2c1 ZINC000120694359 495437255 /nfs/dbraw/zinc/43/72/55/495437255.db2.gz QCRAQWYAOLSPIF-UHFFFAOYSA-N -1 3 360.421 3.152 20 0 FGADHM Cc1ccc2[nH]cc(CCC(=O)Nc3ccc(Cc4nn[n-]n4)cc3)c2c1 ZINC000120694359 495437257 /nfs/dbraw/zinc/43/72/57/495437257.db2.gz QCRAQWYAOLSPIF-UHFFFAOYSA-N -1 3 360.421 3.152 20 0 FGADHM O=S(=O)([N-]C[C@H](CO)c1ccccc1)c1cccc(Cl)c1Cl ZINC000125467572 495449325 /nfs/dbraw/zinc/44/93/25/495449325.db2.gz PYZHTNZSFDTQAU-GFCCVEGCSA-N -1 3 360.262 3.048 20 0 FGADHM O=C(C[N-]S(=O)(=O)Cc1ccccc1F)Nc1cccc2ccccc21 ZINC000137799197 495451226 /nfs/dbraw/zinc/45/12/26/495451226.db2.gz VEIGXENIXHCZBJ-UHFFFAOYSA-N -1 3 372.421 3.037 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1cc(F)cc(C(F)(F)F)c1 ZINC000130832823 495453081 /nfs/dbraw/zinc/45/30/81/495453081.db2.gz FDKFJRNSDJDYEZ-UHFFFAOYSA-N -1 3 351.263 3.277 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cc(F)cc(C(F)(F)F)c1 ZINC000130832823 495453085 /nfs/dbraw/zinc/45/30/85/495453085.db2.gz FDKFJRNSDJDYEZ-UHFFFAOYSA-N -1 3 351.263 3.277 20 0 FGADHM Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)C1 ZINC000120784249 495457011 /nfs/dbraw/zinc/45/70/11/495457011.db2.gz HYLLGURBOZPNBM-UONOGXRCSA-N -1 3 363.417 3.289 20 0 FGADHM CC(C)C[C@@H]1CCCCN1C(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000138352199 495459506 /nfs/dbraw/zinc/45/95/06/495459506.db2.gz CKZZJGFAVOBGCA-AWEZNQCLSA-N -1 3 356.463 3.238 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CN3CCc4ccccc43)c2)n1 ZINC000138605369 495464448 /nfs/dbraw/zinc/46/44/48/495464448.db2.gz PBBXKZBFANZBJG-UHFFFAOYSA-N -1 3 374.444 3.001 20 0 FGADHM CCc1cc(=O)[n-]c(CS[C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)n1 ZINC000125598239 495468623 /nfs/dbraw/zinc/46/86/23/495468623.db2.gz JYLKBDHJRSSCCD-QWHCGFSZSA-N -1 3 357.479 3.344 20 0 FGADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N[C@@H]1CCc2c1cccc2Cl ZINC000139097360 495472799 /nfs/dbraw/zinc/47/27/99/495472799.db2.gz ZAIMIWNVUUSZTR-OAHLLOKOSA-N -1 3 355.781 3.033 20 0 FGADHM O=C(c1c[n-]c2ccccc2c1=O)N(Cc1cccs1)C[C@H]1CCCO1 ZINC000125638461 495475097 /nfs/dbraw/zinc/47/50/97/495475097.db2.gz YJEKPFRCRXAUKZ-CQSZACIVSA-N -1 3 368.458 3.411 20 0 FGADHM Cc1cccc(C(=O)Nc2ccc(OCC(=O)N(C)C)c(Cl)c2)c1[O-] ZINC000115231357 495477687 /nfs/dbraw/zinc/47/76/87/495477687.db2.gz HAPSCKSQFVLVJK-UHFFFAOYSA-N -1 3 362.813 3.073 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)NC[C@@H]2CCCO[C@H]2c2ccccc2)c1 ZINC000131001591 495478242 /nfs/dbraw/zinc/47/82/42/495478242.db2.gz OMJNFTAOYRYSAB-JXFKEZNVSA-N -1 3 368.433 3.248 20 0 FGADHM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(C[S@](C)=O)c2)c(C)c1 ZINC000115313022 495488599 /nfs/dbraw/zinc/48/85/99/495488599.db2.gz ORRMOWUFLAKWRH-JOCHJYFZSA-N -1 3 351.493 3.291 20 0 FGADHM CCCC(=O)N1CCCC[C@@H]1C(=O)Nc1ccc(Br)cc1[O-] ZINC000106741420 495491887 /nfs/dbraw/zinc/49/18/87/495491887.db2.gz IRQGKBMKZQGTQY-CYBMUJFWSA-N -1 3 369.259 3.274 20 0 FGADHM CCc1cc(=O)[n-]c(CS[C@@H](C)C(=O)N2CCCc3ccccc32)n1 ZINC000125735830 495490572 /nfs/dbraw/zinc/49/05/72/495490572.db2.gz XJVIJMQIMMPKBH-ZDUSSCGKSA-N -1 3 357.479 3.346 20 0 FGADHM C[C@H](O)[C@H]1CCCCN1Cc1nc(=O)c2cc(-c3ccccc3)sc2[n-]1 ZINC000106863916 495502559 /nfs/dbraw/zinc/50/25/59/495502559.db2.gz ZOUHPLKQQHSCSD-XJKSGUPXSA-N -1 3 369.490 3.387 20 0 FGADHM CCC[C@H](NC(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1)c1ccccc1 ZINC000141695088 495508772 /nfs/dbraw/zinc/50/87/72/495508772.db2.gz DLMBEQQPNRAEFN-HIFRSBDPSA-N -1 3 366.508 3.073 20 0 FGADHM C[C@@H]1Oc2ccccc2O[C@H]1C(=O)Nc1cc(Br)ccc1[O-] ZINC000176190685 495538870 /nfs/dbraw/zinc/53/88/70/495538870.db2.gz MITQNVMLAJDGCV-BJOHPYRUSA-N -1 3 364.195 3.322 20 0 FGADHM Cc1csc([C@H]([N-]S(=O)(=O)c2cccc3cnccc32)C2CC2)n1 ZINC000173462141 495540079 /nfs/dbraw/zinc/54/00/79/495540079.db2.gz FLRMWFLFDBCTRN-MRXNPFEDSA-N -1 3 359.476 3.429 20 0 FGADHM Cc1nc(C)c(CC(=O)N([C@@H](C)c2ccc(Cl)cc2)C2CC2)c(=O)[n-]1 ZINC000154194806 495540567 /nfs/dbraw/zinc/54/05/67/495540567.db2.gz WCHGYTYGYUCFDL-LBPRGKRZSA-N -1 3 359.857 3.335 20 0 FGADHM Cc1cnc([C@H]([N-]S(=O)(=O)c2cnn(-c3ccccc3)c2)C2CC2)s1 ZINC000173490746 495554782 /nfs/dbraw/zinc/55/47/82/495554782.db2.gz JTTWPOYZQKKSMG-MRXNPFEDSA-N -1 3 374.491 3.067 20 0 FGADHM O=C(N[C@@H]1CCN(c2ccccc2Br)C1)c1cccc([O-])c1 ZINC000182427575 495559950 /nfs/dbraw/zinc/55/99/50/495559950.db2.gz PBLYJLOQOVJNKE-CYBMUJFWSA-N -1 3 361.239 3.163 20 0 FGADHM O=S(=O)([N-]C[C@H]1CCCO[C@H]1c1ccccc1)c1ccc(F)cc1F ZINC000146316414 495564659 /nfs/dbraw/zinc/56/46/59/495564659.db2.gz ZWKIUCJGFWKMPI-KDOFPFPSSA-N -1 3 367.417 3.411 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)NCc2ccc(C(F)F)cc2)c([O-])c1 ZINC000185410294 495567804 /nfs/dbraw/zinc/56/78/04/495567804.db2.gz GJKFGEZOXQTYCD-UHFFFAOYSA-N -1 3 362.376 3.075 20 0 FGADHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N(CC)C[C@H](C)CC ZINC000176264704 495569311 /nfs/dbraw/zinc/56/93/11/495569311.db2.gz UWSNIUCDIAKABE-LLVKDONJSA-N -1 3 354.472 3.066 20 0 FGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@@H](C)CC(C)(C)OC)cc1Cl ZINC000173521280 495570234 /nfs/dbraw/zinc/57/02/34/495570234.db2.gz LGYSZFXITHMSLD-VIFPVBQESA-N -1 3 370.298 3.484 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-]Cc1ccc(-c2csc(C)n2)o1 ZINC000154297313 495573119 /nfs/dbraw/zinc/57/31/19/495573119.db2.gz HMDGUWAIHKNWDW-UHFFFAOYSA-N -1 3 370.477 3.260 20 0 FGADHM Cc1nc(S(=O)(=O)[N-][C@@H](C)c2cc(F)c(Cl)cc2Cl)cn1C ZINC000170731183 495582197 /nfs/dbraw/zinc/58/21/97/495582197.db2.gz KMXRNJSQRXPVHU-ZETCQYMHSA-N -1 3 366.245 3.214 20 0 FGADHM Cc1nc2sccc2c(=O)n1[N-]C(=O)c1ccnc(SC(C)(C)C)c1 ZINC000182494538 495585355 /nfs/dbraw/zinc/58/53/55/495585355.db2.gz UUSSYPYDKLXUMJ-UHFFFAOYSA-N -1 3 374.491 3.436 20 0 FGADHM O=C(NCC1(c2cccc(Cl)c2)CCOCC1)c1ccc(O)cc1[O-] ZINC000179449892 495596771 /nfs/dbraw/zinc/59/67/71/495596771.db2.gz JPYDAOANHJNSFI-UHFFFAOYSA-N -1 3 361.825 3.229 20 0 FGADHM [O-]c1cc(F)cc(CNC[C@H](O)COc2cccc(C(F)(F)F)c2)c1 ZINC000185490522 495596923 /nfs/dbraw/zinc/59/69/23/495596923.db2.gz AXXLZIONXCIJJR-HNNXBMFYSA-N -1 3 359.319 3.080 20 0 FGADHM C[C@@H]1CN(Cc2nc(=O)c3cc(-c4ccccc4)sc3[n-]2)CCCO1 ZINC000170772006 495598256 /nfs/dbraw/zinc/59/82/56/495598256.db2.gz UWBXJUDLOKYXQD-CYBMUJFWSA-N -1 3 355.463 3.262 20 0 FGADHM O=c1[n-]c(=O)n(Cc2ccc(Oc3ccccc3F)c(F)c2)cc1Cl ZINC000154402455 495606296 /nfs/dbraw/zinc/60/62/96/495606296.db2.gz LQKBTAGEUQNBBZ-UHFFFAOYSA-N -1 3 364.735 3.309 20 0 FGADHM CCOC(=O)c1sc2[n-]c(CC(=O)c3ccc(C)cc3)nc(=O)c2c1C ZINC000154408353 495608482 /nfs/dbraw/zinc/60/84/82/495608482.db2.gz YHWCXOZONDGQOW-UHFFFAOYSA-N -1 3 370.430 3.204 20 0 FGADHM COCc1nc(C(=O)[N-]c2c(SC)cnn2-c2ccccc2)cs1 ZINC000150718331 495613063 /nfs/dbraw/zinc/61/30/63/495613063.db2.gz KLGPCRNQOXTGQC-UHFFFAOYSA-N -1 3 360.464 3.449 20 0 FGADHM COc1cc(N[C@@H]2CCCN(C(=O)c3cccc([O-])c3)C2)cc(OC)c1 ZINC000182624704 495640170 /nfs/dbraw/zinc/64/01/70/495640170.db2.gz DZSDNAKGZVICQP-OAHLLOKOSA-N -1 3 356.422 3.126 20 0 FGADHM CS(=O)(=O)[N-]c1cc(NC(=O)c2cccc(C(F)F)c2)ccc1F ZINC000170922103 495652397 /nfs/dbraw/zinc/65/23/97/495652397.db2.gz GNKIWNNZRKOGIN-UHFFFAOYSA-N -1 3 358.341 3.387 20 0 FGADHM O=C(Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)c1cccc2cc[nH]c21 ZINC000173718277 495661998 /nfs/dbraw/zinc/66/19/98/495661998.db2.gz IVHJYAUCKYNWSV-UHFFFAOYSA-N -1 3 373.409 3.000 20 0 FGADHM CC(C)Sc1ccccc1C(=O)NCCCNC(=O)c1cccc([O-])c1 ZINC000154605518 495670207 /nfs/dbraw/zinc/67/02/07/495670207.db2.gz SPJPGKRAJXENMQ-UHFFFAOYSA-N -1 3 372.490 3.443 20 0 FGADHM Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)c2cccc3nn[n-]c32)C1 ZINC000182758564 495691369 /nfs/dbraw/zinc/69/13/69/495691369.db2.gz PXYSZZPGYOULSV-ZDUSSCGKSA-N -1 3 369.856 3.176 20 0 FGADHM Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)c2cccc3[n-]nnc32)C1 ZINC000182758564 495691374 /nfs/dbraw/zinc/69/13/74/495691374.db2.gz PXYSZZPGYOULSV-ZDUSSCGKSA-N -1 3 369.856 3.176 20 0 FGADHM Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)c2cccc3n[n-]nc32)C1 ZINC000182758564 495691380 /nfs/dbraw/zinc/69/13/80/495691380.db2.gz PXYSZZPGYOULSV-ZDUSSCGKSA-N -1 3 369.856 3.176 20 0 FGADHM CN1CC[C@@H](CNC(=O)c2cncc([O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179709761 495699391 /nfs/dbraw/zinc/69/93/91/495699391.db2.gz RQPHPHLOBNXQQC-SJCJKPOMSA-N -1 3 363.820 3.003 20 0 FGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)CCc1ccc2[nH]ccc2c1 ZINC000179709426 495699780 /nfs/dbraw/zinc/69/97/80/495699780.db2.gz KMCNTSRGQIHJFF-UHFFFAOYSA-N -1 3 357.435 3.111 20 0 FGADHM CN(C[C@@H]1CCC[C@H]1O)C(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000154749184 495716084 /nfs/dbraw/zinc/71/60/84/495716084.db2.gz UCIAYLOTHPLZOL-QFBILLFUSA-N -1 3 355.434 3.204 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N(C)C1CC1 ZINC000171116909 495731334 /nfs/dbraw/zinc/73/13/34/495731334.db2.gz DVZBWCRSSPFUNX-UHFFFAOYSA-N -1 3 362.426 3.169 20 0 FGADHM CC[C@](C)([N-]S(=O)(=O)Cc1noc2ccccc21)c1nccs1 ZINC000185834618 495743684 /nfs/dbraw/zinc/74/36/84/495743684.db2.gz SEMIZXHSZISTEL-HNNXBMFYSA-N -1 3 351.453 3.029 20 0 FGADHM O=S(=O)([N-]C1(Cc2ccc(F)cc2)CCOCC1)c1ccccc1F ZINC000577851490 505804821 /nfs/dbraw/zinc/80/48/21/505804821.db2.gz CUCNVCQDLMJTKZ-UHFFFAOYSA-N -1 3 367.417 3.035 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2[C@@H](C)CCC[C@@H]2C)c1 ZINC000185864846 495755689 /nfs/dbraw/zinc/75/56/89/495755689.db2.gz FEPUXJHFWFPWJF-RYUDHWBXSA-N -1 3 357.410 3.344 20 0 FGADHM O=C(c1cn(-c2ccccc2Cl)nn1)N1CCCc2cccc([O-])c21 ZINC000182916736 495756276 /nfs/dbraw/zinc/75/62/76/495756276.db2.gz RNRVAQNLEWGTHX-UHFFFAOYSA-N -1 3 354.797 3.219 20 0 FGADHM Cc1cc(S(C)(=O)=O)cc(C(=O)N2CCCc3cccc([O-])c32)c1C ZINC000182941609 495767131 /nfs/dbraw/zinc/76/71/31/495767131.db2.gz UTRNUIAUZJNGIY-UHFFFAOYSA-N -1 3 359.447 3.006 20 0 FGADHM CC(C)(C)c1cc(C(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)no1 ZINC000151212231 495773889 /nfs/dbraw/zinc/77/38/89/495773889.db2.gz ZPBXSXMWJMBKJJ-UHFFFAOYSA-N -1 3 371.437 3.169 20 0 FGADHM COc1cccc(C(=O)N2CCC(n3ccc(C(F)(F)F)n3)CC2)c1[O-] ZINC000179918803 495783222 /nfs/dbraw/zinc/78/32/22/495783222.db2.gz AVQZMNWLRXYYGO-UHFFFAOYSA-N -1 3 369.343 3.093 20 0 FGADHM O=C(Nc1ccccc1[O-])C1CCN(C(=O)c2cccc3[nH]ccc32)CC1 ZINC000151254470 495786123 /nfs/dbraw/zinc/78/61/23/495786123.db2.gz SWQBBKNRZHSMMP-UHFFFAOYSA-N -1 3 363.417 3.364 20 0 FGADHM CC[C@@H](C)c1cc(C(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)on1 ZINC000151258290 495787188 /nfs/dbraw/zinc/78/71/88/495787188.db2.gz BNOHPNOKRBLTAQ-CYBMUJFWSA-N -1 3 371.437 3.385 20 0 FGADHM COc1nnc(NC(=O)c2cc(NC(=O)CC(C)(C)C)ccc2Cl)[n-]1 ZINC000182987993 495787532 /nfs/dbraw/zinc/78/75/32/495787532.db2.gz BTMPOZSAKGEXBY-UHFFFAOYSA-N -1 3 365.821 3.094 20 0 FGADHM COc1nc(NC(=O)c2cc(NC(=O)CC(C)(C)C)ccc2Cl)n[n-]1 ZINC000182987993 495787538 /nfs/dbraw/zinc/78/75/38/495787538.db2.gz BTMPOZSAKGEXBY-UHFFFAOYSA-N -1 3 365.821 3.094 20 0 FGADHM COc1n[n-]c(NC(=O)c2cc(NC(=O)CC(C)(C)C)ccc2Cl)n1 ZINC000182987993 495787543 /nfs/dbraw/zinc/78/75/43/495787543.db2.gz BTMPOZSAKGEXBY-UHFFFAOYSA-N -1 3 365.821 3.094 20 0 FGADHM COc1nnc(NC(=O)c2csc(-c3cccc(C(F)(F)F)c3)n2)[n-]1 ZINC000183004314 495795676 /nfs/dbraw/zinc/79/56/76/495795676.db2.gz GHEDJPUUUQROPW-UHFFFAOYSA-N -1 3 369.328 3.208 20 0 FGADHM COc1nc(NC(=O)c2csc(-c3cccc(C(F)(F)F)c3)n2)n[n-]1 ZINC000183004314 495795678 /nfs/dbraw/zinc/79/56/78/495795678.db2.gz GHEDJPUUUQROPW-UHFFFAOYSA-N -1 3 369.328 3.208 20 0 FGADHM COc1n[n-]c(NC(=O)c2csc(-c3cccc(C(F)(F)F)c3)n2)n1 ZINC000183004314 495795679 /nfs/dbraw/zinc/79/56/79/495795679.db2.gz GHEDJPUUUQROPW-UHFFFAOYSA-N -1 3 369.328 3.208 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)CC1CCCCC1)c1nc(-c2cccc(F)c2)no1 ZINC000174044506 495801984 /nfs/dbraw/zinc/80/19/84/495801984.db2.gz GTWOFWSGSLDAHX-GFCCVEGCSA-N -1 3 367.446 3.436 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CCCC2(C)C)c1 ZINC000183059748 495818674 /nfs/dbraw/zinc/81/86/74/495818674.db2.gz PQGYSDSVSNTKHK-MRXNPFEDSA-N -1 3 357.410 3.249 20 0 FGADHM Cc1sc(NC[C@@H]2CCCN(C)[C@H]2c2cccs2)nc1C(=O)[O-] ZINC000580650492 505805983 /nfs/dbraw/zinc/80/59/83/505805983.db2.gz SFFLNZGVGSTWKM-SMDDNHRTSA-N -1 3 351.497 3.128 20 0 FGADHM O=C(N[C@@H]1CCCN(c2ccccc2Cl)C1)c1cccc2nn[n-]c21 ZINC000180062002 495841404 /nfs/dbraw/zinc/84/14/04/495841404.db2.gz ZLFZVYMHPFSVHV-GFCCVEGCSA-N -1 3 355.829 3.010 20 0 FGADHM O=C(N[C@@H]1CCCN(c2ccccc2Cl)C1)c1cccc2[n-]nnc21 ZINC000180062002 495841409 /nfs/dbraw/zinc/84/14/09/495841409.db2.gz ZLFZVYMHPFSVHV-GFCCVEGCSA-N -1 3 355.829 3.010 20 0 FGADHM O=C(N[C@@H]1CCCN(c2ccccc2Cl)C1)c1cccc2n[n-]nc21 ZINC000180062002 495841413 /nfs/dbraw/zinc/84/14/13/495841413.db2.gz ZLFZVYMHPFSVHV-GFCCVEGCSA-N -1 3 355.829 3.010 20 0 FGADHM CC[C@](C)([N-]S(=O)(=O)c1cc(OC)ccc1Cl)c1nccs1 ZINC000151465987 495849618 /nfs/dbraw/zinc/84/96/18/495849618.db2.gz KUOKZBFJBFYNGW-AWEZNQCLSA-N -1 3 360.888 3.409 20 0 FGADHM COC(C)(C)C[C@H](C)[N-]S(=O)(=O)c1cc(C)c(Br)s1 ZINC000176942665 495851147 /nfs/dbraw/zinc/85/11/47/495851147.db2.gz HLPSUBKOJYLTLP-VIFPVBQESA-N -1 3 370.334 3.301 20 0 FGADHM C[C@H]1CCN(C(=O)c2cc(F)c([O-])c(F)c2)CCN1Cc1ccccc1 ZINC000180096296 495856700 /nfs/dbraw/zinc/85/67/00/495856700.db2.gz GLIYXERKUQSRQX-AWEZNQCLSA-N -1 3 360.404 3.407 20 0 FGADHM O=C(c1cc(OCc2ccccc2)ccc1[O-])N1CC[C@@]2(CCOC2)C1 ZINC000155196686 495871283 /nfs/dbraw/zinc/87/12/83/495871283.db2.gz BQGXYFVIOXRSBX-OAQYLSRUSA-N -1 3 353.418 3.224 20 0 FGADHM COc1cccc(CC(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000151547141 495874208 /nfs/dbraw/zinc/87/42/08/495874208.db2.gz BNNZFVLYBSSATH-UHFFFAOYSA-N -1 3 350.212 3.022 20 0 FGADHM COc1cccc(CCC(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000151553826 495876288 /nfs/dbraw/zinc/87/62/88/495876288.db2.gz OLPULCGFRJMEOM-UHFFFAOYSA-N -1 3 364.239 3.412 20 0 FGADHM COc1cc(C)cc(C(=O)NCc2ccc([O-])c(Br)c2)c1O ZINC000151559057 495878861 /nfs/dbraw/zinc/87/88/61/495878861.db2.gz SEMRWBCGDSNJJD-UHFFFAOYSA-N -1 3 366.211 3.107 20 0 FGADHM C[C@H]1C[C@@H](C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)CC(C)(C)C1 ZINC000183208949 495880466 /nfs/dbraw/zinc/88/04/66/495880466.db2.gz ONRACGGGLMMUJG-DOTOQJQBSA-N -1 3 358.482 3.139 20 0 FGADHM CC[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000186168597 495881069 /nfs/dbraw/zinc/88/10/69/495881069.db2.gz JKWCZAOJCJMZQB-JSGCOSHPSA-N -1 3 361.891 3.365 20 0 FGADHM O=C(NCc1ccc([O-])c(Br)c1)c1cc(-c2ccco2)n[nH]1 ZINC000151567596 495881176 /nfs/dbraw/zinc/88/11/76/495881176.db2.gz FSOCZUKARVJGMJ-UHFFFAOYSA-N -1 3 362.183 3.068 20 0 FGADHM CC(C)Nc1ccc(C(=O)NCc2ccc([O-])c(Br)c2)cn1 ZINC000151593100 495887594 /nfs/dbraw/zinc/88/75/94/495887594.db2.gz WXEZHSSDLPWGPH-UHFFFAOYSA-N -1 3 364.243 3.300 20 0 FGADHM O=C(NCc1ccc([O-])c(Br)c1)c1cc(-c2cccnc2)on1 ZINC000151599859 495890264 /nfs/dbraw/zinc/89/02/64/495890264.db2.gz SPQXSRGUJGVFPZ-UHFFFAOYSA-N -1 3 374.194 3.135 20 0 FGADHM O=S(=O)([N-][C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)c1ccccc1F ZINC000180178579 495893749 /nfs/dbraw/zinc/89/37/49/495893749.db2.gz NBHWLRCYUJUJAM-ZBFHGGJFSA-N -1 3 373.808 3.427 20 0 FGADHM CCOC(=O)c1cc(NC(=O)[C@@H]2C[C@H]2c2c(F)cccc2Cl)n[n-]1 ZINC000183284159 495914651 /nfs/dbraw/zinc/91/46/51/495914651.db2.gz GBGXPSKCRGJNTP-RKDXNWHRSA-N -1 3 351.765 3.121 20 0 FGADHM CCOC(=O)c1cc(NC(=O)[C@@H]2C[C@H]2c2c(F)cccc2Cl)[n-]n1 ZINC000183284159 495914653 /nfs/dbraw/zinc/91/46/53/495914653.db2.gz GBGXPSKCRGJNTP-RKDXNWHRSA-N -1 3 351.765 3.121 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)NC[C@H](C)Oc3ccccc3)c[n-]c12 ZINC000151675188 495915563 /nfs/dbraw/zinc/91/55/63/495915563.db2.gz PCGCINKBAJSIRN-ZDUSSCGKSA-N -1 3 354.381 3.173 20 0 FGADHM CN(Cc1cc([O-])cc(F)c1)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000186271300 495922448 /nfs/dbraw/zinc/92/24/48/495922448.db2.gz DISOARWEARTHGY-HNNXBMFYSA-N -1 3 355.818 3.145 20 0 FGADHM C[C@H]1CCN(C(=O)CNC(=O)c2cccc(Cl)c2)c2c([O-])cccc21 ZINC000186276451 495925193 /nfs/dbraw/zinc/92/51/93/495925193.db2.gz KNUHIUFPTUECPE-LBPRGKRZSA-N -1 3 358.825 3.316 20 0 FGADHM CC(C)c1cc(C(=O)N[C@@H](C)C2(S(C)(=O)=O)CC2)c([O-])c(C(C)C)c1 ZINC000571771547 505812374 /nfs/dbraw/zinc/81/23/74/505812374.db2.gz UQIAUZSXZNPLIV-ZDUSSCGKSA-N -1 3 367.511 3.335 20 0 FGADHM CCS(=O)(=O)c1cccc(C(=O)N2CC[C@H](C)c3cccc([O-])c32)c1 ZINC000186309534 495941816 /nfs/dbraw/zinc/94/18/16/495941816.db2.gz LRODBECQFNHRJD-ZDUSSCGKSA-N -1 3 359.447 3.340 20 0 FGADHM C[C@@H](CC(=O)Nc1nnc(SCCO)[n-]1)c1cccc(C(F)(F)F)c1 ZINC000155405919 495948202 /nfs/dbraw/zinc/94/82/02/495948202.db2.gz FRLXQSQQGNTRAE-VIFPVBQESA-N -1 3 374.388 3.040 20 0 FGADHM C[C@@H](CC(=O)Nc1nc(SCCO)n[n-]1)c1cccc(C(F)(F)F)c1 ZINC000155405919 495948210 /nfs/dbraw/zinc/94/82/10/495948210.db2.gz FRLXQSQQGNTRAE-VIFPVBQESA-N -1 3 374.388 3.040 20 0 FGADHM C[C@@H](CC(=O)Nc1n[n-]c(SCCO)n1)c1cccc(C(F)(F)F)c1 ZINC000155405919 495948215 /nfs/dbraw/zinc/94/82/15/495948215.db2.gz FRLXQSQQGNTRAE-VIFPVBQESA-N -1 3 374.388 3.040 20 0 FGADHM CC[C@@H](C)NC(=O)c1ccc(NC(=O)c2cc(C)cc(OC)c2[O-])cc1 ZINC000171612563 495948771 /nfs/dbraw/zinc/94/87/71/495948771.db2.gz ZTJLSVNXGZXFPG-CYBMUJFWSA-N -1 3 356.422 3.490 20 0 FGADHM C[C@H]1CCN(C(=O)c2cn(Cc3cccc(F)c3)nn2)c2c([O-])cccc21 ZINC000186341984 495956168 /nfs/dbraw/zinc/95/61/68/495956168.db2.gz JHWKXBKEQLADFY-ZDUSSCGKSA-N -1 3 366.396 3.325 20 0 FGADHM CC1(C)[C@H](NCc2nc3c4ccccc4oc3c(=O)[n-]2)[C@H]2CCCO[C@H]21 ZINC000568946546 505814262 /nfs/dbraw/zinc/81/42/62/505814262.db2.gz GBSXVWFEUGYELC-NXOUGTEYSA-N -1 3 353.422 3.375 20 0 FGADHM Cc1nc(CCCC(=O)Nc2cc(C)ccc2[N-]S(C)(=O)=O)cs1 ZINC000177177406 495961987 /nfs/dbraw/zinc/96/19/87/495961987.db2.gz FJPSPAVVVIMIEL-UHFFFAOYSA-N -1 3 367.496 3.093 20 0 FGADHM CC(C)n1cnnc1[C@@H]1CCCN(Cc2cc(=O)oc3cc([O-])ccc23)C1 ZINC000177183923 495965392 /nfs/dbraw/zinc/96/53/92/495965392.db2.gz BMTYIIIJRCOWHW-CQSZACIVSA-N -1 3 368.437 3.051 20 0 FGADHM O=C([N-]c1nc2ccc(F)cn2n1)c1occc1COc1ccccc1 ZINC000174466859 495972605 /nfs/dbraw/zinc/97/26/05/495972605.db2.gz QNXYONFGDXUZOH-UHFFFAOYSA-N -1 3 352.325 3.293 20 0 FGADHM CC(C)n1cnc(S(=O)(=O)[N-][C@@H](C)c2cccc(OC(F)F)c2)c1 ZINC000151860759 495973022 /nfs/dbraw/zinc/97/30/22/495973022.db2.gz SMWRZOUXTXCQCC-NSHDSACASA-N -1 3 359.398 3.105 20 0 FGADHM Cc1nc(S(=O)(=O)[N-][C@@H](C)c2ccc(SC(C)C)cc2)cn1C ZINC000171709918 495999945 /nfs/dbraw/zinc/99/99/45/495999945.db2.gz QHLFPTIQFBCVJE-LBPRGKRZSA-N -1 3 353.513 3.269 20 0 FGADHM O=S(=O)([N-][C@H](c1nccs1)c1ccccc1)c1cc(F)cc(F)c1 ZINC000171713405 496001625 /nfs/dbraw/zinc/00/16/25/496001625.db2.gz SKNNPPHTXPGTER-HNNXBMFYSA-N -1 3 366.414 3.489 20 0 FGADHM O=C([N-]N1CCCCC1=O)c1ccc(Br)cc1C(F)(F)F ZINC000180475555 496010727 /nfs/dbraw/zinc/01/07/27/496010727.db2.gz WKAVXNVFRQSVJZ-UHFFFAOYSA-N -1 3 365.149 3.125 20 0 FGADHM O=C([C@H]1C[C@@H]1c1ccc2c(c1)OCCO2)N1CCCc2cccc([O-])c21 ZINC000155614030 496014054 /nfs/dbraw/zinc/01/40/54/496014054.db2.gz CDBWJVFCEIPXTM-CVEARBPZSA-N -1 3 351.402 3.246 20 0 FGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H](C)c2nc(C)cs2)c1 ZINC000186483261 496015370 /nfs/dbraw/zinc/01/53/70/496015370.db2.gz MFPYNBKHSPNSDF-SECBINFHSA-N -1 3 360.888 3.196 20 0 FGADHM Cc1ccc(NC(=O)CSCC(=O)N2CCCc3cccc([O-])c32)cc1 ZINC000155674927 496032167 /nfs/dbraw/zinc/03/21/67/496032167.db2.gz OOSODELBPAAEBB-UHFFFAOYSA-N -1 3 370.474 3.352 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CC[C@@H]3CC[C@H](C)O3)c2)n1 ZINC000174650840 496047433 /nfs/dbraw/zinc/04/74/33/496047433.db2.gz AVMJSTUAAXGQIU-GUYCJALGSA-N -1 3 355.438 3.286 20 0 FGADHM O=C(c1cccc([O-])c1)N1CCN(Cc2ncc(-c3cccs3)o2)CC1 ZINC000174673173 496055201 /nfs/dbraw/zinc/05/52/01/496055201.db2.gz XIAPILMTWWHAEP-UHFFFAOYSA-N -1 3 369.446 3.067 20 0 FGADHM CCOC(=O)c1ccsc1[N-]C(=O)C(=O)N(Cc1ccccc1)C1CC1 ZINC000174684790 496060548 /nfs/dbraw/zinc/06/05/48/496060548.db2.gz GGNAOPKLHPLKJD-UHFFFAOYSA-N -1 3 372.446 3.055 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)NCc3ncc(C(C)(C)C)o3)c[n-]c12 ZINC000155782922 496066991 /nfs/dbraw/zinc/06/69/91/496066991.db2.gz SFYCJEXNCXMCQP-UHFFFAOYSA-N -1 3 357.385 3.191 20 0 FGADHM Cc1cc(S(=O)(=O)[N-][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c(Cl)cc1F ZINC000155792854 496069971 /nfs/dbraw/zinc/06/99/71/496069971.db2.gz MZWAJXCQHDKYFT-KMUNFCNLSA-N -1 3 359.850 3.023 20 0 FGADHM Cc1noc(C)c1C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1Cl ZINC000152217563 496083622 /nfs/dbraw/zinc/08/36/22/496083622.db2.gz RDMGCUJYKQJAPD-UHFFFAOYSA-N -1 3 368.764 3.442 20 0 FGADHM Cc1cc(=O)[n-]c([C@H](C)Sc2ncnc3c2cnn3-c2ccccc2)n1 ZINC000155850117 496087274 /nfs/dbraw/zinc/08/72/74/496087274.db2.gz UJMLRSPBUKVELO-LBPRGKRZSA-N -1 3 364.434 3.473 20 0 FGADHM CCCCc1nc(C(=O)OCC)c(NC(=O)c2ncccc2SC)[n-]1 ZINC000593138912 506418359 /nfs/dbraw/zinc/41/83/59/506418359.db2.gz BLSQNNBNUPPTJH-UHFFFAOYSA-N -1 3 362.455 3.298 20 0 FGADHM Cc1nnc(SCC(=O)Nc2ccccc2[O-])n1-c1ccccc1C ZINC000180669145 496096751 /nfs/dbraw/zinc/09/67/51/496096751.db2.gz AILFJNFWFSVOOX-UHFFFAOYSA-N -1 3 354.435 3.321 20 0 FGADHM CC(C)COc1ncc(C(=O)Nc2nnc(-c3ccco3)[n-]2)cc1Cl ZINC000180669568 496097032 /nfs/dbraw/zinc/09/70/32/496097032.db2.gz CBEHWHMVVKZTCU-UHFFFAOYSA-N -1 3 361.789 3.400 20 0 FGADHM CC(C)COc1ncc(C(=O)Nc2nc(-c3ccco3)n[n-]2)cc1Cl ZINC000180669568 496097039 /nfs/dbraw/zinc/09/70/39/496097039.db2.gz CBEHWHMVVKZTCU-UHFFFAOYSA-N -1 3 361.789 3.400 20 0 FGADHM CC(C)COc1ncc(C(=O)Nc2n[n-]c(-c3ccco3)n2)cc1Cl ZINC000180669568 496097043 /nfs/dbraw/zinc/09/70/43/496097043.db2.gz CBEHWHMVVKZTCU-UHFFFAOYSA-N -1 3 361.789 3.400 20 0 FGADHM CCCn1c(SCC(=O)Nc2ccccc2[O-])nc2ccccc2c1=O ZINC000180672497 496098321 /nfs/dbraw/zinc/09/83/21/496098321.db2.gz WGROTGKBROBRRF-UHFFFAOYSA-N -1 3 369.446 3.243 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-][C@@H](C)COc1c(C)cccc1C ZINC000177547728 496107857 /nfs/dbraw/zinc/10/78/57/496107857.db2.gz XQWCEJLAKAEXJF-ZDUSSCGKSA-N -1 3 355.481 3.119 20 0 FGADHM CCCCc1nc(NC(=O)c2ncccc2SC)c(C(=O)OCC)[n-]1 ZINC000593138912 506418369 /nfs/dbraw/zinc/41/83/69/506418369.db2.gz BLSQNNBNUPPTJH-UHFFFAOYSA-N -1 3 362.455 3.298 20 0 FGADHM C[C@H](CC(=O)c1cccs1)[N-]S(=O)(=O)c1cccc2c1N=S=N2 ZINC000152304786 496110632 /nfs/dbraw/zinc/11/06/32/496110632.db2.gz ZLHIRFNMVWGGDX-SECBINFHSA-N -1 3 367.477 3.414 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]C[C@H]2CCCS2)c(Cl)c1Cl ZINC000152303974 496110972 /nfs/dbraw/zinc/11/09/72/496110972.db2.gz XESDSJDJEFVEIZ-MRVPVSSYSA-N -1 3 356.296 3.176 20 0 FGADHM O=S(=O)([N-][C@@H]1CCO[C@@H](C2CC2)C1)c1cccc(Cl)c1Cl ZINC000183809860 496123781 /nfs/dbraw/zinc/12/37/81/496123781.db2.gz YEGOQUNDDNKJMF-ZYHUDNBSSA-N -1 3 350.267 3.229 20 0 FGADHM CCOC(=O)c1ccc(NC(=O)c2cn(C)nc2-c2cccs2)c([O-])c1 ZINC000180779244 496143184 /nfs/dbraw/zinc/14/31/84/496143184.db2.gz FQUWJQFQBXTKCH-UHFFFAOYSA-N -1 3 371.418 3.283 20 0 FGADHM CCCCN(C)C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000152414945 496145120 /nfs/dbraw/zinc/14/51/20/496145120.db2.gz OKQLJWOSJOTSQT-UHFFFAOYSA-N -1 3 359.467 3.166 20 0 FGADHM CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)Nc1cc(F)ccc1[O-] ZINC000174878760 496145719 /nfs/dbraw/zinc/14/57/19/496145719.db2.gz MROPKZJZWONHSK-MRXNPFEDSA-N -1 3 372.396 3.173 20 0 FGADHM O=C([N-]c1n[nH]c(Cc2cccc(F)c2)n1)c1coc(Br)c1 ZINC000180877052 496182518 /nfs/dbraw/zinc/18/25/18/496182518.db2.gz NEEQVVVLUFQZKA-UHFFFAOYSA-N -1 3 365.162 3.142 20 0 FGADHM CCOc1ccc(-c2nc(CS(=O)(=O)c3cccc([O-])c3)co2)cc1 ZINC000183991802 496191308 /nfs/dbraw/zinc/19/13/08/496191308.db2.gz UBELFJLDHNBTCE-UHFFFAOYSA-N -1 3 359.403 3.420 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)NCc1cc(Cl)cc2c1OCC2 ZINC000183995375 496192360 /nfs/dbraw/zinc/19/23/60/496192360.db2.gz OEIUIDCPFOXWRS-UHFFFAOYSA-N -1 3 350.777 3.119 20 0 FGADHM Cc1c(Cl)cccc1NC(=O)[C@H](C)S(=O)(=O)c1cccc([O-])c1 ZINC000184001762 496195523 /nfs/dbraw/zinc/19/55/23/496195523.db2.gz HKMSNUXBQYZFPO-NSHDSACASA-N -1 3 353.827 3.155 20 0 FGADHM O=C(Cc1cncc([O-])c1)NCC1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000577963319 505829431 /nfs/dbraw/zinc/82/94/31/505829431.db2.gz VXVAXQSGWVVZJT-UHFFFAOYSA-N -1 3 350.340 3.197 20 0 FGADHM CCOC(=O)c1cc(NC(=O)[C@@H]2C[C@@H]2c2ccc(C(F)(F)F)cc2)n[n-]1 ZINC000180935160 496205451 /nfs/dbraw/zinc/20/54/51/496205451.db2.gz DCTIKFLGWJIVDS-VXGBXAGGSA-N -1 3 367.327 3.347 20 0 FGADHM CCOC(=O)c1cc(NC(=O)[C@@H]2C[C@@H]2c2ccc(C(F)(F)F)cc2)[n-]n1 ZINC000180935160 496205458 /nfs/dbraw/zinc/20/54/58/496205458.db2.gz DCTIKFLGWJIVDS-VXGBXAGGSA-N -1 3 367.327 3.347 20 0 FGADHM C[C@H](C(=O)Nc1ccccc1Br)[S@](=O)c1cccc([O-])c1 ZINC000184035876 496212255 /nfs/dbraw/zinc/21/22/55/496212255.db2.gz ZSNAGEHHLFFLJH-UZJPJQLHSA-N -1 3 368.252 3.290 20 0 FGADHM CCn1c2ccc(F)cc2nc1NC(=O)c1c[n-]c2ccccc2c1=O ZINC000184038736 496213296 /nfs/dbraw/zinc/21/32/96/496213296.db2.gz JFDIACBVNCKDGV-UHFFFAOYSA-N -1 3 350.353 3.289 20 0 FGADHM CCn1c2ccc(F)cc2nc1NC(=O)c1cnc2ccccc2c1[O-] ZINC000184038736 496213301 /nfs/dbraw/zinc/21/33/01/496213301.db2.gz JFDIACBVNCKDGV-UHFFFAOYSA-N -1 3 350.353 3.289 20 0 FGADHM CC(C)CC[C@@H](NC(=O)c1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1)C(C)(C)C ZINC000177861928 496228025 /nfs/dbraw/zinc/22/80/25/496228025.db2.gz WBVRAHHZOTWHJS-IERDGZPVSA-N -1 3 373.497 3.322 20 0 FGADHM Cc1ccc(C(=O)Nc2ccc(C(=O)N3CCSCC3)cc2C)c([O-])c1 ZINC000156411028 496238060 /nfs/dbraw/zinc/23/80/60/496238060.db2.gz ITVZFXMXNUFCMT-UHFFFAOYSA-N -1 3 370.474 3.450 20 0 FGADHM O=C(Cc1csc(NC(=O)c2cccc([O-])c2)n1)N1CCCC2(CC2)C1 ZINC000184110536 496242350 /nfs/dbraw/zinc/24/23/50/496242350.db2.gz YGQDEIXISNFIRN-UHFFFAOYSA-N -1 3 371.462 3.046 20 0 FGADHM Cc1cc(=O)[n-]c([C@@H](C)N(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)n1 ZINC000177913418 496249656 /nfs/dbraw/zinc/24/96/56/496249656.db2.gz XFCGGQRKHAGGKG-SNVBAGLBSA-N -1 3 369.252 3.429 20 0 FGADHM Cc1cccc(F)c1S(=O)(=O)[N-]c1cccn(Cc2ccccc2)c1=O ZINC000187021166 496255737 /nfs/dbraw/zinc/25/57/37/496255737.db2.gz ZUOOSTRJFSLYOR-UHFFFAOYSA-N -1 3 372.421 3.145 20 0 FGADHM C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)c1ccc2n[n-]nc2c1 ZINC000187025470 496256905 /nfs/dbraw/zinc/25/69/05/496256905.db2.gz LZOAYYSILIWZFG-GTNSWQLSSA-N -1 3 356.813 3.214 20 0 FGADHM Cc1ocnc1C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1Cl ZINC000161966240 496271424 /nfs/dbraw/zinc/27/14/24/496271424.db2.gz NIQJEOSMVKEQRQ-UHFFFAOYSA-N -1 3 354.737 3.134 20 0 FGADHM CCc1cc(=O)[n-]c(CS[C@H](C)C(=O)Nc2c(F)cccc2F)n1 ZINC000177971933 496271609 /nfs/dbraw/zinc/27/16/09/496271609.db2.gz MCCJUCJCFUXDTF-SECBINFHSA-N -1 3 353.394 3.283 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N2C[C@H](C)[C@@H]2c2ccccc2)c([O-])c1 ZINC000175175940 496278747 /nfs/dbraw/zinc/27/87/47/496278747.db2.gz DPZUAKLVAXITCJ-MGPUTAFESA-N -1 3 352.434 3.040 20 0 FGADHM Cc1sc2[n-]c(CN3CC[C@](C)(O)C3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000177999927 496281844 /nfs/dbraw/zinc/28/18/44/496281844.db2.gz PDFJFCZDNNJXNV-FQEVSTJZSA-N -1 3 369.490 3.225 20 0 FGADHM CN(CCCNC(=O)c1cc(F)c([O-])c(Cl)c1)Cc1ccccc1 ZINC000184198804 496282503 /nfs/dbraw/zinc/28/25/03/496282503.db2.gz XOFKZEIFZQATAQ-UHFFFAOYSA-N -1 3 350.821 3.437 20 0 FGADHM CC[C@H](CNC(=O)c1c[n-]c2ccccc2c1=O)Oc1cccc(C)c1 ZINC000178025655 496292937 /nfs/dbraw/zinc/29/29/37/496292937.db2.gz QNRKRPKDPNSILL-OAHLLOKOSA-N -1 3 350.418 3.424 20 0 FGADHM O=C(NCC1(O)CCCCCC1)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000187100033 496293393 /nfs/dbraw/zinc/29/33/93/496293393.db2.gz BACQMROSDQNHRT-UHFFFAOYSA-N -1 3 367.445 3.438 20 0 FGADHM Cc1nn2c(nnc2S[C@H](C)c2cccc(Br)c2)[n-]c1=O ZINC000162121380 496299260 /nfs/dbraw/zinc/29/92/60/496299260.db2.gz KZLLBGSRMGTNRB-MRVPVSSYSA-N -1 3 366.244 3.149 20 0 FGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@@H]1CCc2cc(Cl)ccc21 ZINC000156737037 496323218 /nfs/dbraw/zinc/32/32/18/496323218.db2.gz BJILSSLHVZVULO-GFCCVEGCSA-N -1 3 371.867 3.154 20 0 FGADHM Cc1ccc(Cl)c(NC(=O)[C@@H](C)[N-]S(=O)(=O)c2cccs2)c1 ZINC000162270786 496326717 /nfs/dbraw/zinc/32/67/17/496326717.db2.gz GKQJKZNMACKLOW-SNVBAGLBSA-N -1 3 358.872 3.015 20 0 FGADHM CCCc1cnc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])s1 ZINC000181276199 496336537 /nfs/dbraw/zinc/33/65/37/496336537.db2.gz WSURKRAZVZNSQA-AWEZNQCLSA-N -1 3 359.451 3.045 20 0 FGADHM O=C(NCc1sccc1Br)NCc1ccc([O-])c(F)c1 ZINC000172571923 496345550 /nfs/dbraw/zinc/34/55/50/496345550.db2.gz LBBGTXIQHYLNKA-UHFFFAOYSA-N -1 3 359.220 3.355 20 0 FGADHM Cc1noc([C@@H]2CCCN(C(=O)c3c[n-]c4c(C)cc(C)cc4c3=O)C2)n1 ZINC000162457114 496355541 /nfs/dbraw/zinc/35/55/41/496355541.db2.gz LIZHJOZBSPRJMB-CQSZACIVSA-N -1 3 366.421 3.268 20 0 FGADHM C[C@H](C(=O)NCCCNC(=O)c1cccc([O-])c1)c1cc2ccccc2o1 ZINC000178178943 496357747 /nfs/dbraw/zinc/35/77/47/496357747.db2.gz RBHCTQLPCGPALI-AWEZNQCLSA-N -1 3 366.417 3.178 20 0 FGADHM CCOC(=O)c1c(C2CC2)csc1[N-]C(=O)C(=O)N(C)C1CCCC1 ZINC000187251053 496361020 /nfs/dbraw/zinc/36/10/20/496361020.db2.gz UUVQILLODIFQFY-UHFFFAOYSA-N -1 3 364.467 3.142 20 0 FGADHM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(-c4ncc[nH]4)cc3)ccc2O1 ZINC000178191601 496364596 /nfs/dbraw/zinc/36/45/96/496364596.db2.gz FHAOCZRVABCVFT-LBPRGKRZSA-N -1 3 355.419 3.201 20 0 FGADHM COc1c(F)ccc(F)c1C(=O)[N-]c1nc(-c2cnn(C)c2)cs1 ZINC000153151634 496368339 /nfs/dbraw/zinc/36/83/39/496368339.db2.gz PMDOVADTTHTDQR-UHFFFAOYSA-N -1 3 350.350 3.083 20 0 FGADHM O=C(c1c[n-]c2c(OC(F)(F)F)cccc2c1=O)N1CCC[C@H](F)C1 ZINC000571890985 505839928 /nfs/dbraw/zinc/83/99/28/505839928.db2.gz KPAHOIZLFVXRJR-VIFPVBQESA-N -1 3 358.291 3.001 20 0 FGADHM O=C(Nc1cnn(-c2ncc(Cl)cc2Cl)c1)c1ccc2n[n-]nc2c1 ZINC000156953762 496373186 /nfs/dbraw/zinc/37/31/86/496373186.db2.gz ZIMQKTNCJUVYEW-UHFFFAOYSA-N -1 3 374.191 3.098 20 0 FGADHM O=C(Nc1ccccc1[O-])C1CCN(Cc2cnc(Cl)s2)CC1 ZINC000175404896 496377694 /nfs/dbraw/zinc/37/76/94/496377694.db2.gz CJKJHZGYMAVXAK-UHFFFAOYSA-N -1 3 351.859 3.353 20 0 FGADHM C[C@@H]1Oc2ccc(NC(=O)c3cn[n-]c3-c3ccsc3)cc2NC1=O ZINC000187328219 496395406 /nfs/dbraw/zinc/39/54/06/496395406.db2.gz GLLYPUZMHXTBFG-VIFPVBQESA-N -1 3 354.391 3.110 20 0 FGADHM C[C@@H]1Oc2ccc(NC(=O)c3c[n-]nc3-c3ccsc3)cc2NC1=O ZINC000187328219 496395409 /nfs/dbraw/zinc/39/54/09/496395409.db2.gz GLLYPUZMHXTBFG-VIFPVBQESA-N -1 3 354.391 3.110 20 0 FGADHM O=C(Nc1nnc(-c2ccccn2)[n-]1)c1cccc2c3c([nH]c21)CCCC3 ZINC000175473749 496406728 /nfs/dbraw/zinc/40/67/28/496406728.db2.gz JEEDEHKJZLZUJA-UHFFFAOYSA-N -1 3 358.405 3.479 20 0 FGADHM O=C(Nc1nc(-c2ccccn2)n[n-]1)c1cccc2c3c([nH]c21)CCCC3 ZINC000175473749 496406733 /nfs/dbraw/zinc/40/67/33/496406733.db2.gz JEEDEHKJZLZUJA-UHFFFAOYSA-N -1 3 358.405 3.479 20 0 FGADHM O=C(Nc1n[n-]c(-c2ccccn2)n1)c1cccc2c3c([nH]c21)CCCC3 ZINC000175473749 496406740 /nfs/dbraw/zinc/40/67/40/496406740.db2.gz JEEDEHKJZLZUJA-UHFFFAOYSA-N -1 3 358.405 3.479 20 0 FGADHM CN(C)CCN(Cc1cccs1)C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000184486061 496406798 /nfs/dbraw/zinc/40/67/98/496406798.db2.gz GMXXAGKBTZNKBI-UHFFFAOYSA-N -1 3 356.850 3.450 20 0 FGADHM Cc1cc(OC[C@H](O)CN2CCC(C(=O)[O-])CC2)c(C(C)C)cc1Cl ZINC000578019350 505842815 /nfs/dbraw/zinc/84/28/15/505842815.db2.gz TWEXXEXKMLWVPY-OAHLLOKOSA-N -1 3 369.889 3.308 20 0 FGADHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)Nc1ccc(C)c(C)c1 ZINC000157225227 496432768 /nfs/dbraw/zinc/43/27/68/496432768.db2.gz WXTMCSUEHSQHQQ-UHFFFAOYSA-N -1 3 360.435 3.427 20 0 FGADHM C[C@H](Oc1ccc(C(F)(F)F)cc1)C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000187420822 496433876 /nfs/dbraw/zinc/43/38/76/496433876.db2.gz IBTRXWRNECAKQF-LURJTMIESA-N -1 3 368.237 3.248 20 0 FGADHM C[C@H](Oc1ccc(C(F)(F)F)cc1)C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000187420822 496433882 /nfs/dbraw/zinc/43/38/82/496433882.db2.gz IBTRXWRNECAKQF-LURJTMIESA-N -1 3 368.237 3.248 20 0 FGADHM COc1cccc(-c2noc([C@H](C)NC(=O)c3cccc(C)c3[O-])n2)c1 ZINC000175548470 496437107 /nfs/dbraw/zinc/43/71/07/496437107.db2.gz XBNYZORXVZVMKP-LBPRGKRZSA-N -1 3 353.378 3.250 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)N1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000175566913 496445610 /nfs/dbraw/zinc/44/56/10/496445610.db2.gz WWPVWYHMVGZURA-BBRMVZONSA-N -1 3 364.442 3.391 20 0 FGADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@H]1CCC[C@H]1C ZINC000157293814 496447356 /nfs/dbraw/zinc/44/73/56/496447356.db2.gz GVYRVMDNJDTREL-PWSUYJOCSA-N -1 3 353.465 3.155 20 0 FGADHM CN1CCN(Cc2ccc(C(=O)Nc3ccc(Cl)cc3[O-])cc2)CC1 ZINC000153450327 496460120 /nfs/dbraw/zinc/46/01/20/496460120.db2.gz PFISOJHXFPTRPJ-UHFFFAOYSA-N -1 3 359.857 3.045 20 0 FGADHM COc1cc2c(cc1CNCC[C@H](Cc1ccccc1)C(=O)[O-])O[C@@H](C)C2 ZINC000580823338 505846031 /nfs/dbraw/zinc/84/60/31/505846031.db2.gz KOZPIQHEIPZWLY-DOTOQJQBSA-N -1 3 369.461 3.442 20 0 FGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@H]1CCc2c1cccc2Cl ZINC000178521263 496486273 /nfs/dbraw/zinc/48/62/73/496486273.db2.gz PYZHHKYRNQVRCI-LBPRGKRZSA-N -1 3 371.867 3.154 20 0 FGADHM COc1ccc(CN(CCC(=O)[O-])CC(C)C)c(Br)c1OC ZINC000571930047 505847348 /nfs/dbraw/zinc/84/73/48/505847348.db2.gz MSUAQCMPRQWILP-UHFFFAOYSA-N -1 3 374.275 3.399 20 0 FGADHM COc1ccc([C@H]2[C@@H](C(=O)Nc3ccc(Cl)cc3[O-])CC(=O)N2C)cc1 ZINC000153552949 496495973 /nfs/dbraw/zinc/49/59/73/496495973.db2.gz ALGVEXMTBJXBAP-KSSFIOAISA-N -1 3 374.824 3.212 20 0 FGADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]C[C@H](C)c1ccc(C)cc1 ZINC000178549781 496496470 /nfs/dbraw/zinc/49/64/70/496496470.db2.gz OQKZZHDZMKAJQH-ZDUSSCGKSA-N -1 3 365.426 3.003 20 0 FGADHM COC(=O)[C@@H](C)[C@H]([N-]S(=O)(=O)c1ccc(Cl)s1)c1ccccc1 ZINC000175704841 496508115 /nfs/dbraw/zinc/50/81/15/496508115.db2.gz JRTISNDOQTZIDG-HZMBPMFUSA-N -1 3 373.883 3.230 20 0 FGADHM O=S(=O)(Cc1ccc(Cl)cc1Cl)[N-][C@H]1c2ccccc2C[C@@H]1O ZINC000181708494 496512331 /nfs/dbraw/zinc/51/23/31/496512331.db2.gz DNJLQCSERCKBOM-HOTGVXAUSA-N -1 3 372.273 3.071 20 0 FGADHM C[C@H]([N-]S(=O)(=O)Cc1ccc(Cl)cc1Cl)C(=O)OC(C)(C)C ZINC000181708710 496512470 /nfs/dbraw/zinc/51/24/70/496512470.db2.gz ZZKVJQDGUIQKDJ-VIFPVBQESA-N -1 3 368.282 3.143 20 0 FGADHM CC(=O)Nc1ccc(F)c([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)c1 ZINC000157606427 496514371 /nfs/dbraw/zinc/51/43/71/496514371.db2.gz HVVVRPZAAQVJNC-UHFFFAOYSA-N -1 3 362.304 3.002 20 0 FGADHM Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)c1cccc(OC(F)(F)F)c1 ZINC000175742781 496525414 /nfs/dbraw/zinc/52/54/14/496525414.db2.gz JBQHVYKZEDSHOO-MRVPVSSYSA-N -1 3 364.345 3.230 20 0 FGADHM C[C@H](C(=O)Nc1nnc(-c2ccccn2)[n-]1)c1ccc(Br)cc1 ZINC000163513944 496525938 /nfs/dbraw/zinc/52/59/38/496525938.db2.gz KQNINXLDHULBMD-JTQLQIEISA-N -1 3 372.226 3.371 20 0 FGADHM C[C@H](C(=O)Nc1nc(-c2ccccn2)n[n-]1)c1ccc(Br)cc1 ZINC000163513944 496525942 /nfs/dbraw/zinc/52/59/42/496525942.db2.gz KQNINXLDHULBMD-JTQLQIEISA-N -1 3 372.226 3.371 20 0 FGADHM C[C@H](C(=O)Nc1n[n-]c(-c2ccccn2)n1)c1ccc(Br)cc1 ZINC000163513944 496525950 /nfs/dbraw/zinc/52/59/50/496525950.db2.gz KQNINXLDHULBMD-JTQLQIEISA-N -1 3 372.226 3.371 20 0 FGADHM O=C(NCCOc1ccccc1-c1ccccc1)c1cccc2nn[n-]c21 ZINC000163583730 496535266 /nfs/dbraw/zinc/53/52/66/496535266.db2.gz DDTPJRJEDKFGGF-UHFFFAOYSA-N -1 3 358.401 3.434 20 0 FGADHM O=C(NCCOc1ccccc1-c1ccccc1)c1cccc2[n-]nnc21 ZINC000163583730 496535268 /nfs/dbraw/zinc/53/52/68/496535268.db2.gz DDTPJRJEDKFGGF-UHFFFAOYSA-N -1 3 358.401 3.434 20 0 FGADHM O=C(NCCOc1ccccc1-c1ccccc1)c1cccc2n[n-]nc21 ZINC000163583730 496535272 /nfs/dbraw/zinc/53/52/72/496535272.db2.gz DDTPJRJEDKFGGF-UHFFFAOYSA-N -1 3 358.401 3.434 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC(Nc3cccc(C)c3)CC2)c1 ZINC000157773192 496550581 /nfs/dbraw/zinc/55/05/81/496550581.db2.gz CLHAWDUPLRHKJF-UHFFFAOYSA-N -1 3 367.449 3.376 20 0 FGADHM CN(CCc1nccs1)Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000157787991 496555364 /nfs/dbraw/zinc/55/53/64/496555364.db2.gz MMBHHCFMZYLECU-UHFFFAOYSA-N -1 3 372.475 3.376 20 0 FGADHM NC(=O)c1csc(C(=O)Nc2cc(Cc3ccccc3)ccc2[O-])c1 ZINC000175844236 496570323 /nfs/dbraw/zinc/57/03/23/496570323.db2.gz RZABZDQTEXRRLM-UHFFFAOYSA-N -1 3 352.415 3.396 20 0 FGADHM CC(C)CC(=O)NCCC(=O)Nc1cc(Cc2ccccc2)ccc1[O-] ZINC000175849105 496571972 /nfs/dbraw/zinc/57/19/72/496571972.db2.gz NFUOINIALGIUDP-UHFFFAOYSA-N -1 3 354.450 3.474 20 0 FGADHM CC[C@@H](C)c1cc(C(=O)[N-]c2cc(-n3nnnc3C3CC3)ccc2F)on1 ZINC000173152790 496572030 /nfs/dbraw/zinc/57/20/30/496572030.db2.gz QEHXFPOXTGJIBA-SNVBAGLBSA-N -1 3 370.388 3.433 20 0 FGADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1ccc(-c2nc(C3CC3)no2)cc1 ZINC000175849988 496572287 /nfs/dbraw/zinc/57/22/87/496572287.db2.gz ZODKMNWETLZPOA-UHFFFAOYSA-N -1 3 364.287 3.003 20 0 FGADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1ccc(-c2nc(C3CC3)no2)cc1 ZINC000175849988 496572293 /nfs/dbraw/zinc/57/22/93/496572293.db2.gz ZODKMNWETLZPOA-UHFFFAOYSA-N -1 3 364.287 3.003 20 0 FGADHM CC(C)[C@@H](C(=O)NCCCNC(=O)c1cccc([O-])c1)c1ccccc1 ZINC000175857560 496576001 /nfs/dbraw/zinc/57/60/01/496576001.db2.gz FIUZONRPSRBXST-LJQANCHMSA-N -1 3 354.450 3.068 20 0 FGADHM O=c1[n-]nc(SCCCc2ccccc2Cl)n1C[C@@H]1CCCO1 ZINC000181896766 496590474 /nfs/dbraw/zinc/59/04/74/496590474.db2.gz CYJIUOFMLGDMEI-ZDUSSCGKSA-N -1 3 353.875 3.129 20 0 FGADHM CC[C@@H](SC)C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000178896314 496608585 /nfs/dbraw/zinc/60/85/85/496608585.db2.gz ZPTQCDVJOUUJLN-OAHLLOKOSA-N -1 3 370.902 3.364 20 0 FGADHM Cc1cccc(F)c1S(=O)(=O)[N-][C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000184999756 496616375 /nfs/dbraw/zinc/61/63/75/496616375.db2.gz JUYXOUUAXZVPLQ-AWEZNQCLSA-N -1 3 359.426 3.359 20 0 FGADHM CCc1noc(-c2ccc(C)c([N-]S(=O)(=O)c3ccc(OC)cc3)c2)n1 ZINC000175969661 496623397 /nfs/dbraw/zinc/62/33/97/496623397.db2.gz GLRFYLIZHUXECK-UHFFFAOYSA-N -1 3 373.434 3.417 20 0 FGADHM Cc1cn(-c2ccccc2)nc1C(=O)[N-]c1nnc(C(F)(F)F)s1 ZINC000185026501 496627876 /nfs/dbraw/zinc/62/78/76/496627876.db2.gz SVPJNNALERJAQO-UHFFFAOYSA-N -1 3 353.329 3.303 20 0 FGADHM Cc1ccc(C(C)C)cc1OCC(=O)[N-]c1nncn1-c1cccnc1 ZINC000574791469 505856891 /nfs/dbraw/zinc/85/68/91/505856891.db2.gz RWFGFIHOUONLDQ-UHFFFAOYSA-N -1 3 351.410 3.112 20 0 FGADHM CCC[C@@H](C)c1cc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])n[nH]1 ZINC000173333936 496646855 /nfs/dbraw/zinc/64/68/55/496646855.db2.gz WWVNLICESWZYDS-CJNGLKHVSA-N -1 3 370.453 3.262 20 0 FGADHM Cc1cc(C(=O)Nc2cc(-c3nccn3C)[n-]n2)c2c(n1)onc2C(C)C ZINC000179050738 496657583 /nfs/dbraw/zinc/65/75/83/496657583.db2.gz PKDPJXZUTVGUPW-UHFFFAOYSA-N -1 3 365.397 3.031 20 0 FGADHM Cc1cc(C(=O)Nc2cc(-c3nccn3C)n[n-]2)c2c(n1)onc2C(C)C ZINC000179050738 496657588 /nfs/dbraw/zinc/65/75/88/496657588.db2.gz PKDPJXZUTVGUPW-UHFFFAOYSA-N -1 3 365.397 3.031 20 0 FGADHM CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)c1ccc(O)cc1[O-] ZINC000182158016 496691742 /nfs/dbraw/zinc/69/17/42/496691742.db2.gz UKQXQHMWPAQCGP-UHFFFAOYSA-N -1 3 369.396 3.332 20 0 FGADHM Cn1ccc2cccc(NC(=O)[C@@H]3CCCN3C(=O)c3ccccc3[O-])c21 ZINC000188124137 496693477 /nfs/dbraw/zinc/69/34/77/496693477.db2.gz DLKOXXAGAIFTNL-KRWDZBQOSA-N -1 3 363.417 3.127 20 0 FGADHM Cc1noc(C2CC2)c1[N-]C(=O)c1cn(-c2cccc(Cl)c2F)nn1 ZINC000154142587 496694132 /nfs/dbraw/zinc/69/41/32/496694132.db2.gz KFTGLSVBASWXIC-UHFFFAOYSA-N -1 3 361.764 3.486 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)C(C)(C)c3ccccc3F)[n-]c21 ZINC000158441373 496702604 /nfs/dbraw/zinc/70/26/04/496702604.db2.gz YKUOQHIFFUBFMW-UHFFFAOYSA-N -1 3 355.369 3.405 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)C(C)(C)c3ccccc3F)nc21 ZINC000158441373 496702608 /nfs/dbraw/zinc/70/26/08/496702608.db2.gz YKUOQHIFFUBFMW-UHFFFAOYSA-N -1 3 355.369 3.405 20 0 FGADHM COc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C)[C@H]2COc3ccccc32)c1 ZINC000167573141 496702662 /nfs/dbraw/zinc/70/26/62/496702662.db2.gz PCPAOLGLRLTCSB-SMDDNHRTSA-N -1 3 367.854 3.192 20 0 FGADHM CC(C)c1cc(Br)ccc1[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000179263977 496722798 /nfs/dbraw/zinc/72/27/98/496722798.db2.gz LZKMLCIWZQTBMH-GFCCVEGCSA-N -1 3 362.289 3.493 20 0 FGADHM CC[C@@H](C(=O)N1CCC(NC(=O)c2cccc([O-])c2)CC1)c1ccccc1 ZINC000182273867 496724678 /nfs/dbraw/zinc/72/46/78/496724678.db2.gz RMVWTRRXSAYWGS-HXUWFJFHSA-N -1 3 366.461 3.307 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]Cc2cn(C)nc2-c2ccccc2)c(F)c1 ZINC000182325000 496729774 /nfs/dbraw/zinc/72/97/74/496729774.db2.gz QBDRPUHFLMRBTB-UHFFFAOYSA-N -1 3 359.426 3.013 20 0 FGADHM COCc1nc(S[C@@H](C)C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)n[n-]1 ZINC000268550832 496733654 /nfs/dbraw/zinc/73/36/54/496733654.db2.gz PPJONCBJJLAMQY-OLZOCXBDSA-N -1 3 374.510 3.188 20 0 FGADHM COCc1nc(SCC(=O)N(c2ccccc2)C2CCCCC2)n[n-]1 ZINC000268567617 496737855 /nfs/dbraw/zinc/73/78/55/496737855.db2.gz USWKLZSCVZFYRV-UHFFFAOYSA-N -1 3 360.483 3.409 20 0 FGADHM COc1cn(-c2ccccc2)nc1C(=O)[N-]c1ncn(C2CCCCC2)n1 ZINC000273200540 496739169 /nfs/dbraw/zinc/73/91/69/496739169.db2.gz NRQBHVRRFGJDEA-UHFFFAOYSA-N -1 3 366.425 3.230 20 0 FGADHM COc1cc(OC)c(OC)cc1CNC[C@@H](Cc1ccccc1C)C(=O)[O-] ZINC000277344970 496743407 /nfs/dbraw/zinc/74/34/07/496743407.db2.gz PBDUMCZCKMZEJW-QGZVFWFLSA-N -1 3 373.449 3.054 20 0 FGADHM CCOC1CC(CC[N-]S(=O)(=O)c2cc(C(C)=O)ccc2Cl)C1 ZINC000188295008 496744864 /nfs/dbraw/zinc/74/48/64/496744864.db2.gz RPSHRRWPFZVBKF-UHFFFAOYSA-N -1 3 359.875 3.026 20 0 FGADHM O=C([O-])[C@@H](Cc1ccc2c(c1)OCCCO2)NCc1ccccc1Cl ZINC000277355164 496747047 /nfs/dbraw/zinc/74/70/47/496747047.db2.gz PNQCVNCHOOFMLZ-MRXNPFEDSA-N -1 3 361.825 3.287 20 0 FGADHM CC(C)(C)OC(=O)C[C@@H](NCc1cc(Cl)cc2cccnc21)C(=O)[O-] ZINC000277363360 496748524 /nfs/dbraw/zinc/74/85/24/496748524.db2.gz QAMNAFDPGWZZAL-CQSZACIVSA-N -1 3 364.829 3.163 20 0 FGADHM CCc1ccc(C(=O)Nc2ccccc2N2CCC(CO)CC2)c([O-])c1 ZINC000188387780 496773364 /nfs/dbraw/zinc/77/33/64/496773364.db2.gz YZRCCAFUEFZNAX-UHFFFAOYSA-N -1 3 354.450 3.416 20 0 FGADHM Cc1c(Br)ccc([O-])c1NC(=O)c1cnc2n1CCCC2 ZINC000578114677 505865039 /nfs/dbraw/zinc/86/50/39/505865039.db2.gz ZVRTZMBBUIPAFJ-UHFFFAOYSA-N -1 3 350.216 3.248 20 0 FGADHM CC(C)[C@H](Sc1n[n-]c(-c2ccccn2)n1)C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000247143727 496791190 /nfs/dbraw/zinc/79/11/90/496791190.db2.gz PJUFDTWBOUWLAJ-FMKPAKJESA-N -1 3 373.526 3.488 20 0 FGADHM Cc1cccc2nc(C3CCN(C(=O)c4ccc5n[n-]nc5c4)CC3)oc21 ZINC000188474177 496802293 /nfs/dbraw/zinc/80/22/93/496802293.db2.gz VYPXEXGTDXWZAV-UHFFFAOYSA-N -1 3 361.405 3.427 20 0 FGADHM O=C(N[C@@H]1CCC[C@@H]2OCC[C@@H]21)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000188526577 496819995 /nfs/dbraw/zinc/81/99/95/496819995.db2.gz QSUOXJUUJRAJGD-AQNXPRMDSA-N -1 3 365.429 3.311 20 0 FGADHM CC[C@H](C)[C@@H](C)N(C(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)C1CC1 ZINC000264184435 496830224 /nfs/dbraw/zinc/83/02/24/496830224.db2.gz NHKOUGHQWNXYLV-NWDGAFQWSA-N -1 3 356.463 3.236 20 0 FGADHM COc1ccccc1[C@@H](C)CC(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000264240373 496848290 /nfs/dbraw/zinc/84/82/90/496848290.db2.gz ZHCNEJYPFRGVQB-ZDUSSCGKSA-N -1 3 362.451 3.199 20 0 FGADHM Cc1ccc(C(=O)N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)c([O-])c1C ZINC000264259915 496854350 /nfs/dbraw/zinc/85/43/50/496854350.db2.gz SVWMGKFYVVOGCJ-OAHLLOKOSA-N -1 3 362.470 3.338 20 0 FGADHM CCSc1cc(C[N-]S(=O)(=O)c2cc(F)c(F)cc2F)ccn1 ZINC000188635853 496860512 /nfs/dbraw/zinc/86/05/12/496860512.db2.gz LRCYQUKHYKGJNR-UHFFFAOYSA-N -1 3 362.398 3.089 20 0 FGADHM O=S(=O)([N-]CC1CCN(Cc2ccccc2Cl)CC1)c1ccco1 ZINC000188676559 496873410 /nfs/dbraw/zinc/87/34/10/496873410.db2.gz UIMFICVIACFQOY-UHFFFAOYSA-N -1 3 368.886 3.124 20 0 FGADHM COc1ccc(CNc2nnc(CC(C)C)o2)c(Br)c1[O-] ZINC000273712510 496882101 /nfs/dbraw/zinc/88/21/01/496882101.db2.gz NHYYOGIMJHYDIP-UHFFFAOYSA-N -1 3 356.220 3.357 20 0 FGADHM O=c1nc(Cc2noc(C[C@H]3CCCCO3)n2)[n-]c2scc(C3CC3)c21 ZINC000273743885 496891873 /nfs/dbraw/zinc/89/18/73/496891873.db2.gz MLXASBGNPHBIDA-LLVKDONJSA-N -1 3 372.450 3.360 20 0 FGADHM CC1(C)CC[C@@H](C[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)O1 ZINC000188746905 496895045 /nfs/dbraw/zinc/89/50/45/496895045.db2.gz ODDXILHMEZGTJW-JTQLQIEISA-N -1 3 355.353 3.080 20 0 FGADHM CCc1ccc(C(=O)N(C)Cc2ccccc2N2CCOCC2)c([O-])c1 ZINC000188759321 496899505 /nfs/dbraw/zinc/89/95/05/496899505.db2.gz CVSZTGKTEDEWCC-UHFFFAOYSA-N -1 3 354.450 3.063 20 0 FGADHM COc1ccc(CN(C)Cc2ncc(Cl)n2C)c(Br)c1[O-] ZINC000273774683 496903388 /nfs/dbraw/zinc/90/33/88/496903388.db2.gz RNIRSUGMVQAZTG-UHFFFAOYSA-N -1 3 374.666 3.182 20 0 FGADHM O=C(c1ccc(C(=O)N2CC[C@@H]3OCCC[C@H]3C2)cc1)c1cccc([O-])c1 ZINC000188782807 496908505 /nfs/dbraw/zinc/90/85/05/496908505.db2.gz KBHGXBKHWUGLHA-ICSRJNTNSA-N -1 3 365.429 3.264 20 0 FGADHM COc1ccc(CNC(=O)c2cc([O-])ccc2C(F)(F)F)cc1OC ZINC000188802203 496912469 /nfs/dbraw/zinc/91/24/69/496912469.db2.gz DAVFYFMUEBHGMJ-UHFFFAOYSA-N -1 3 355.312 3.358 20 0 FGADHM CO[C@H](C)C(=O)Nc1cccc(NC(=O)c2cn[n-]c2-c2ccsc2)c1 ZINC000188808529 496914557 /nfs/dbraw/zinc/91/45/57/496914557.db2.gz NLUHZOZNBAAPKO-LLVKDONJSA-N -1 3 370.434 3.364 20 0 FGADHM CO[C@H](C)C(=O)Nc1cccc(NC(=O)c2c[n-]nc2-c2ccsc2)c1 ZINC000188808529 496914566 /nfs/dbraw/zinc/91/45/66/496914566.db2.gz NLUHZOZNBAAPKO-LLVKDONJSA-N -1 3 370.434 3.364 20 0 FGADHM O=S(=O)([N-]C1CCN(C2CC2)CC1)c1ccc(Cl)c(F)c1Cl ZINC000191866381 496914752 /nfs/dbraw/zinc/91/47/52/496914752.db2.gz STSPCAVJAXLYRV-UHFFFAOYSA-N -1 3 367.273 3.038 20 0 FGADHM O=C(c1ccc(C(=O)N2CCOCC23CCC3)cc1)c1cccc([O-])c1 ZINC000188859071 496929550 /nfs/dbraw/zinc/92/95/50/496929550.db2.gz YDNFCANBLLDWCB-UHFFFAOYSA-N -1 3 351.402 3.018 20 0 FGADHM CN(CC1(O)CCCC1)C(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000188883225 496935646 /nfs/dbraw/zinc/93/56/46/496935646.db2.gz VXMNEQVPULYNPO-UHFFFAOYSA-N -1 3 353.418 3.000 20 0 FGADHM CCO[C@H](C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1)c1ccccc1 ZINC000195488588 496938203 /nfs/dbraw/zinc/93/82/03/496938203.db2.gz XSPKEBBRYDTQGX-IBGZPJMESA-N -1 3 363.417 3.462 20 0 FGADHM CCCCc1nc(C(=O)OCC)c(NC(=O)c2cc(C(C)=O)cs2)[n-]1 ZINC000191963764 496947088 /nfs/dbraw/zinc/94/70/88/496947088.db2.gz KIEGLMLNCQLOMH-UHFFFAOYSA-N -1 3 363.439 3.445 20 0 FGADHM CCCCc1nc(NC(=O)c2cc(C(C)=O)cs2)c(C(=O)OCC)[n-]1 ZINC000191963764 496947092 /nfs/dbraw/zinc/94/70/92/496947092.db2.gz KIEGLMLNCQLOMH-UHFFFAOYSA-N -1 3 363.439 3.445 20 0 FGADHM CCC[C@@H]1CN(C(=O)c2ccc(C(=O)c3cccc([O-])c3)cc2)CCO1 ZINC000188938700 496954574 /nfs/dbraw/zinc/95/45/74/496954574.db2.gz ZCZHSQHKJAHLNS-LJQANCHMSA-N -1 3 353.418 3.264 20 0 FGADHM Cc1cccc(C(=O)NCc2ccccc2CN2C[C@H](C)O[C@@H](C)C2)c1[O-] ZINC000195625797 496955361 /nfs/dbraw/zinc/95/53/61/496955361.db2.gz LATIRLNGAZXQFI-IRXDYDNUSA-N -1 3 368.477 3.240 20 0 FGADHM CC(C)(C)OC(=O)NCCCCCCC(=O)[N-]OCc1cccnc1 ZINC000269533182 496966180 /nfs/dbraw/zinc/96/61/80/496966180.db2.gz RSYOPNQRZLJZRT-UHFFFAOYSA-N -1 3 351.447 3.105 20 0 FGADHM CCc1cccc(CSc2nc3nc(C)cc(C(=O)OC)c3c(=O)[n-]2)c1 ZINC000188979864 496967169 /nfs/dbraw/zinc/96/71/69/496967169.db2.gz ZYPBSUVUDXCZOZ-UHFFFAOYSA-N -1 3 369.446 3.268 20 0 FGADHM COc1nnc(NC(=O)c2ccc(-c3ccccc3OC(F)(F)F)o2)[n-]1 ZINC000188985858 496969864 /nfs/dbraw/zinc/96/98/64/496969864.db2.gz ZDZKHMNPTPTNSD-UHFFFAOYSA-N -1 3 368.271 3.224 20 0 FGADHM COc1nc(NC(=O)c2ccc(-c3ccccc3OC(F)(F)F)o2)n[n-]1 ZINC000188985858 496969869 /nfs/dbraw/zinc/96/98/69/496969869.db2.gz ZDZKHMNPTPTNSD-UHFFFAOYSA-N -1 3 368.271 3.224 20 0 FGADHM COc1n[n-]c(NC(=O)c2ccc(-c3ccccc3OC(F)(F)F)o2)n1 ZINC000188985858 496969872 /nfs/dbraw/zinc/96/98/72/496969872.db2.gz ZDZKHMNPTPTNSD-UHFFFAOYSA-N -1 3 368.271 3.224 20 0 FGADHM CCOc1cc(-c2noc([C@@H]3CC(=O)N(C(CC)CC)C3)n2)ccc1[O-] ZINC000278086544 496999136 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O=S(=O)([N-]Cc1cscn1)c1ccc(Cl)c(Br)c1 ZINC000192201834 497031266 /nfs/dbraw/zinc/03/12/66/497031266.db2.gz NIPGBSRKGBVKJE-UHFFFAOYSA-N -1 3 367.677 3.038 20 0 FGADHM COc1cc2c(cc1CN[C@H](Cc1ccc(C)c(C)c1)C(=O)[O-])O[C@H](C)C2 ZINC000569215086 505880467 /nfs/dbraw/zinc/88/04/67/505880467.db2.gz BGQBPAKKANLWCA-DNVCBOLYSA-N -1 3 369.461 3.421 20 0 FGADHM CCC(C)(C)C[N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F ZINC000192234435 497042676 /nfs/dbraw/zinc/04/26/76/497042676.db2.gz JHXPPQJJPRQSDA-UHFFFAOYSA-N -1 3 350.843 3.152 20 0 FGADHM O=c1nc(CN2CCO[C@@H]3CCC[C@H]32)[n-]c2scc(-c3ccco3)c21 ZINC000265093528 497045514 /nfs/dbraw/zinc/04/55/14/497045514.db2.gz BHSWRYKBIOHJIS-TZMCWYRMSA-N -1 3 357.435 3.410 20 0 FGADHM Cc1cc([N-]C(=O)[C@H](C)N2CCc3cc(Br)ccc3C2)on1 ZINC000192249413 497048244 /nfs/dbraw/zinc/04/82/44/497048244.db2.gz JTHKUUKBHRVBST-NSHDSACASA-N -1 3 364.243 3.131 20 0 FGADHM CS(=O)(=O)[N-]c1cc(C(=O)Nc2nc(C3CCC3)cs2)ccc1F ZINC000278270559 497058433 /nfs/dbraw/zinc/05/84/33/497058433.db2.gz ZAHQPBPYWOUNMQ-UHFFFAOYSA-N -1 3 369.443 3.174 20 0 FGADHM O=S(=O)(Cc1ccc(Cl)nc1)[N-]C1(c2nccs2)CCCC1 ZINC000265202338 497070041 /nfs/dbraw/zinc/07/00/41/497070041.db2.gz BAABMHNUCSRKEY-UHFFFAOYSA-N -1 3 357.888 3.080 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCO[C@H](c3cccc(Cl)c3)C2)c1 ZINC000274397539 497088726 /nfs/dbraw/zinc/08/87/26/497088726.db2.gz JPECIBNBIYMZMT-SFHVURJKSA-N -1 3 374.824 3.218 20 0 FGADHM CC[C@@H]1Oc2cc([C@H](C)N[C@H](C)c3nc(C)cc(=O)[n-]3)ccc2NC1=O ZINC000248752613 497098479 /nfs/dbraw/zinc/09/84/79/497098479.db2.gz OUHPKSTXLMFMNI-ZOWXZIJZSA-N -1 3 356.426 3.012 20 0 FGADHM CN1CC[C@H](NC(=O)c2cc([O-])ccc2Cl)[C@@H]1c1ccc(F)c(F)c1 ZINC000278444669 497116800 /nfs/dbraw/zinc/11/68/00/497116800.db2.gz TXQPZPAABQWTPA-IRXDYDNUSA-N -1 3 366.795 3.499 20 0 FGADHM CCNC(=O)c1cc([N-]C(=O)c2cc(C(C)C)no2)nc2ccccc21 ZINC000270396433 497118602 /nfs/dbraw/zinc/11/86/02/497118602.db2.gz YSCVSZGISOPHKW-UHFFFAOYSA-N -1 3 352.394 3.348 20 0 FGADHM O=C(c1cc(F)cc2[n-]nnc21)N1CCCCC[C@@H]1[C@@H]1CCCCC1=O ZINC000278461207 497123421 /nfs/dbraw/zinc/12/34/21/497123421.db2.gz VPVLUIQDRNKDKZ-XJKSGUPXSA-N -1 3 358.417 3.241 20 0 FGADHM O=C(c1cc(F)cc2nn[n-]c21)N1CCCCC[C@@H]1[C@@H]1CCCCC1=O ZINC000278461207 497123429 /nfs/dbraw/zinc/12/34/29/497123429.db2.gz VPVLUIQDRNKDKZ-XJKSGUPXSA-N -1 3 358.417 3.241 20 0 FGADHM O=C(c1cc(F)cc2n[n-]nc21)N1CCCCC[C@@H]1[C@@H]1CCCCC1=O ZINC000278461207 497123433 /nfs/dbraw/zinc/12/34/33/497123433.db2.gz VPVLUIQDRNKDKZ-XJKSGUPXSA-N -1 3 358.417 3.241 20 0 FGADHM Cc1cc([N-]C(=O)[C@@H](C)N2CCC(C(=O)c3ccc(F)cc3)CC2)on1 ZINC000192467734 497124011 /nfs/dbraw/zinc/12/40/11/497124011.db2.gz JLKHAPYSYCRECY-CYBMUJFWSA-N -1 3 359.401 3.044 20 0 FGADHM CCc1ccc([C@H]2COCCN2C(=O)c2cc(=O)c3ccccc3[n-]2)o1 ZINC000265584970 497143987 /nfs/dbraw/zinc/14/39/87/497143987.db2.gz XCZJWMJJOXQPOM-QGZVFWFLSA-N -1 3 352.390 3.310 20 0 FGADHM Cc1cc(C(=O)NC2CCCC2)ccc1NC([O-])=NO[C@H]1CCCCO1 ZINC000274739075 497154532 /nfs/dbraw/zinc/15/45/32/497154532.db2.gz DXYCECPKRVESHT-KRWDZBQOSA-N -1 3 361.442 3.247 20 0 FGADHM Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)[N-]O[C@H]1CCCCO1 ZINC000274739075 497154539 /nfs/dbraw/zinc/15/45/39/497154539.db2.gz DXYCECPKRVESHT-KRWDZBQOSA-N -1 3 361.442 3.247 20 0 FGADHM COc1cc(Br)c(S(=O)(=O)[N-]CC[C@@H](C)F)cc1Cl ZINC000581000394 505887952 /nfs/dbraw/zinc/88/79/52/505887952.db2.gz XMPSULYCTVEROP-SSDOTTSWSA-N -1 3 374.659 3.138 20 0 FGADHM CN1CC[C@H](C[N-]S(=O)(=O)c2ccco2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000249081603 497161256 /nfs/dbraw/zinc/16/12/56/497161256.db2.gz AHYZIKKHHXZCGB-MLGOLLRUSA-N -1 3 372.849 3.043 20 0 FGADHM O=C([N-]OC[C@@H]1CCOC1)Nc1cccc(C[S@](=O)c2ccccc2)c1 ZINC000189605480 497179840 /nfs/dbraw/zinc/17/98/40/497179840.db2.gz KJLWABXIOMQQPV-DXPJPUQTSA-N -1 3 374.462 3.084 20 0 FGADHM Cc1cc(=O)[n-]c([C@H](C)N2CCO[C@H](c3cccc(OC(F)F)c3)C2)n1 ZINC000192709071 497191650 /nfs/dbraw/zinc/19/16/50/497191650.db2.gz UYYRTIQZBLKLSH-WFASDCNBSA-N -1 3 365.380 3.227 20 0 FGADHM COc1cc(C(=O)N2CCC(OC3CCCCC3)CC2)cc(OC)c1[O-] ZINC000270741367 497192279 /nfs/dbraw/zinc/19/22/79/497192279.db2.gz XNJKCVGTCSNTHC-UHFFFAOYSA-N -1 3 363.454 3.363 20 0 FGADHM Cc1ccc(NC(=O)[C@@H]2CC[C@H](C(F)(F)F)[N-]C2=O)cc1C(F)(F)F ZINC000192735943 497198833 /nfs/dbraw/zinc/19/88/33/497198833.db2.gz IZICFHJFJUFNAA-GXSJLCMTSA-N -1 3 368.277 3.409 20 0 FGADHM C[C@@H](Oc1cccc2ccccc21)C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000192757902 497206082 /nfs/dbraw/zinc/20/60/82/497206082.db2.gz XETXQXLAEIJKFJ-CQSZACIVSA-N -1 3 373.416 3.350 20 0 FGADHM C[C@@H](Oc1cccc2ccccc21)C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000192757902 497206085 /nfs/dbraw/zinc/20/60/85/497206085.db2.gz XETXQXLAEIJKFJ-CQSZACIVSA-N -1 3 373.416 3.350 20 0 FGADHM C[C@H](NC(=O)c1cc([O-])ccc1C(F)(F)F)c1ccc2c(c1)CC(=O)N2 ZINC000192759738 497206391 /nfs/dbraw/zinc/20/63/91/497206391.db2.gz IIZXHJJIKJXNHA-VIFPVBQESA-N -1 3 364.323 3.397 20 0 FGADHM CC1(C)[C@H](NC(=O)c2c[n-]nc2-c2ccc(Cl)s2)[C@@H]2CCO[C@H]21 ZINC000249526312 497217692 /nfs/dbraw/zinc/21/76/92/497217692.db2.gz ABMHHZRMNIWPKI-MCCGJVOXSA-N -1 3 351.859 3.335 20 0 FGADHM COC(=O)CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccccc1[O-] ZINC000189703631 497218049 /nfs/dbraw/zinc/21/80/49/497218049.db2.gz ZSVVSCKLAHJIGY-UHFFFAOYSA-N -1 3 367.323 3.226 20 0 FGADHM O=C([N-]c1nnc2ccccn21)Nc1ccc(NC[C@@H]2CCCO2)c(F)c1 ZINC000265968073 497221003 /nfs/dbraw/zinc/22/10/03/497221003.db2.gz SUYDHCJSCRILAT-ZDUSSCGKSA-N -1 3 370.388 3.103 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)[C@@H](c1ccccc1)N(C)C ZINC000192864319 497232087 /nfs/dbraw/zinc/23/20/87/497232087.db2.gz HSJFNYJPRGGTNO-GTNSWQLSSA-N -1 3 372.412 3.074 20 0 FGADHM O=C(c1cc(Cl)cc(C(F)(F)F)c1)N1CCc2c(=O)[n-]cnc2C1 ZINC000275094530 497235734 /nfs/dbraw/zinc/23/57/34/497235734.db2.gz AULMNTODKLCBRJ-UHFFFAOYSA-N -1 3 357.719 3.053 20 0 FGADHM C[C@H](c1cccc(NC(=O)[N-]OCCC(F)(F)F)c1)N1CCOCC1 ZINC000275170670 497248894 /nfs/dbraw/zinc/24/88/94/497248894.db2.gz AYOUBXRSGIDYBZ-GFCCVEGCSA-N -1 3 361.364 3.085 20 0 FGADHM O=C(NCCCOC1CCOCC1)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000189861408 497271505 /nfs/dbraw/zinc/27/15/05/497271505.db2.gz QPGJCMRJYAIYST-UHFFFAOYSA-N -1 3 369.874 3.107 20 0 FGADHM COC(=O)C[C@H](NC(=O)c1cc([O-])ccc1Cl)c1ccc(F)cc1 ZINC000569294424 505898805 /nfs/dbraw/zinc/89/88/05/505898805.db2.gz UWHAXXNBPMOFMX-HNNXBMFYSA-N -1 3 351.761 3.219 20 0 FGADHM CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1ccccc1[O-] ZINC000193227507 497327936 /nfs/dbraw/zinc/32/79/36/497327936.db2.gz DOUIIAIHQIWMQF-UHFFFAOYSA-N -1 3 366.339 3.300 20 0 FGADHM CC(C)[C@H]1C[C@H](NC(=O)NCc2ccc([O-])c(Br)c2)CCO1 ZINC000271429340 497346549 /nfs/dbraw/zinc/34/65/49/497346549.db2.gz AZCVWMVTLQFEHY-IUODEOHRSA-N -1 3 371.275 3.158 20 0 FGADHM CS(=O)(=O)[N-]c1cc(NC(=O)C/C=C\c2ccccc2F)ccc1F ZINC000255008147 497355408 /nfs/dbraw/zinc/35/54/08/497355408.db2.gz LWPQCSZDLCVPHZ-XQRVVYSFSA-N -1 3 366.389 3.378 20 0 FGADHM CO[C@@H](C)CS(=O)(=O)[N-]c1ccc(F)cc1Nc1ccccc1F ZINC000193340839 497355502 /nfs/dbraw/zinc/35/55/02/497355502.db2.gz RADRSMPGSMACFN-NSHDSACASA-N -1 3 356.394 3.485 20 0 FGADHM COC(=O)c1ccsc1[N-]C(=O)C(=O)N(C)[C@@H](C)c1ccc(C)cc1C ZINC000266556996 497369550 /nfs/dbraw/zinc/36/95/50/497369550.db2.gz OUJNIAASZAKXPU-ZDUSSCGKSA-N -1 3 374.462 3.310 20 0 FGADHM CCc1ccc(C(=O)N2CCCN(C(=O)c3ccsc3)CC2)c([O-])c1 ZINC000190155156 497378898 /nfs/dbraw/zinc/37/88/98/497378898.db2.gz YCSWUCLEDLHJBC-UHFFFAOYSA-N -1 3 358.463 3.004 20 0 FGADHM C[C@@H](NC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1)C(C)(C)C ZINC000581078352 505905420 /nfs/dbraw/zinc/90/54/20/505905420.db2.gz VAYRRCUJQDERNN-SECBINFHSA-N -1 3 366.405 3.241 20 0 FGADHM COc1cc(C(=O)N2CCC(C(=O)c3ccc(F)cc3)CC2)ccc1[O-] ZINC000279463715 497446638 /nfs/dbraw/zinc/44/66/38/497446638.db2.gz FVSBKGAYFKTBOB-UHFFFAOYSA-N -1 3 357.381 3.275 20 0 FGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2CCN(C)C)c1 ZINC000275863116 497450844 /nfs/dbraw/zinc/45/08/44/497450844.db2.gz XVHSMVBCARQPDP-UHFFFAOYSA-N -1 3 368.886 3.254 20 0 FGADHM CSc1nc(=O)[n-]c(C)c1C(=O)N(C)c1cccc(OC(F)(F)F)c1 ZINC000266982338 497461433 /nfs/dbraw/zinc/46/14/33/497461433.db2.gz GIKREODYFIQACD-UHFFFAOYSA-N -1 3 373.356 3.388 20 0 FGADHM CC(=O)NCC1CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])CC1 ZINC000266989137 497462663 /nfs/dbraw/zinc/46/26/63/497462663.db2.gz HCNJWLMJJIPJDJ-UHFFFAOYSA-N -1 3 368.433 3.173 20 0 FGADHM COc1cc(Cl)c(C)cc1NC(=O)CCNCc1nc(C)ccc1[O-] ZINC000267095244 497484420 /nfs/dbraw/zinc/48/44/20/497484420.db2.gz VOGOLQCFXAPHPD-UHFFFAOYSA-N -1 3 363.845 3.184 20 0 FGADHM COC(=O)CCCc1nnc([N-]C(=O)c2ccc3c(c2)N=S=N3)s1 ZINC000271935320 497491556 /nfs/dbraw/zinc/49/15/56/497491556.db2.gz MRYCREXQEVPNQL-UHFFFAOYSA-N -1 3 363.424 3.013 20 0 FGADHM CCOC(=O)CSc1nnc([N-]C(=O)c2csc(Cl)c2)s1 ZINC000276094742 497496403 /nfs/dbraw/zinc/49/64/03/497496403.db2.gz DNETUGSGUUPGDM-UHFFFAOYSA-N -1 3 363.873 3.161 20 0 FGADHM CCOC(=O)CSc1nnc([N-]C(=O)c2cc(C)c(F)cc2F)s1 ZINC000267192357 497500172 /nfs/dbraw/zinc/50/01/72/497500172.db2.gz ZFMLOGLYNMHBQZ-UHFFFAOYSA-N -1 3 373.406 3.032 20 0 FGADHM COc1cc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](C(F)(F)F)C2)ccc1F ZINC000190490519 497502954 /nfs/dbraw/zinc/50/29/54/497502954.db2.gz YCTFNHLSFQIRBN-NXEZZACHSA-N -1 3 355.353 3.234 20 0 FGADHM C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000262192266 497522137 /nfs/dbraw/zinc/52/21/37/497522137.db2.gz RHNXBNXVGJCDIV-PLQHRBFRSA-N -1 3 370.371 3.219 20 0 FGADHM O=C([O-])CN(Cc1ccccc1)C(=O)C1CCN(Cc2ccccc2)CC1 ZINC000262271822 497531941 /nfs/dbraw/zinc/53/19/41/497531941.db2.gz YCEHREAHDFYMSR-UHFFFAOYSA-N -1 3 366.461 3.012 20 0 FGADHM C[C@@H]1Oc2ccccc2[C@H]1[N-]S(=O)(=O)c1ccc2c(c1)CC(C)(C)O2 ZINC000572200325 505912786 /nfs/dbraw/zinc/91/27/86/505912786.db2.gz SWTGPJOYQCOVKD-SGTLLEGYSA-N -1 3 359.447 3.201 20 0 FGADHM O=C([N-]OC[C@H]1CCOC1)Nc1cccc(NC(=O)c2cccs2)c1 ZINC000276430575 497573580 /nfs/dbraw/zinc/57/35/80/497573580.db2.gz RZKOGNBVNMTACK-LBPRGKRZSA-N -1 3 361.423 3.090 20 0 FGADHM CC(C)(C)c1ccc([C@H]2CCCN2C(=O)CN2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000262679925 497598293 /nfs/dbraw/zinc/59/82/93/497598293.db2.gz SKQDCPYWZLOSRV-IEBWSBKVSA-N -1 3 372.509 3.444 20 0 FGADHM CC1([N-]S(=O)(=O)c2cc(Cl)ccc2OCC2CCC2)CCOCC1 ZINC000190799928 497608240 /nfs/dbraw/zinc/60/82/40/497608240.db2.gz GAFKUIJIOLPCHN-UHFFFAOYSA-N -1 3 373.902 3.366 20 0 FGADHM O=C([O-])[C@@H]1CN(CCOc2ccc(C(F)(F)F)cc2)C[C@H]1C(F)(F)F ZINC000262730437 497610492 /nfs/dbraw/zinc/61/04/92/497610492.db2.gz BKGOVGOVAJLRNF-VXGBXAGGSA-N -1 3 371.277 3.279 20 0 FGADHM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc3c(c2)CC(C)(C)O3)ccc1C ZINC000267807712 497621187 /nfs/dbraw/zinc/62/11/87/497621187.db2.gz MEOMWYMMAZWMIV-UHFFFAOYSA-N -1 3 374.462 3.468 20 0 FGADHM CCCCN(C(=O)C(=O)[N-]c1scc(C2CC2)c1C(=O)OC)C1CC1 ZINC000267834400 497626852 /nfs/dbraw/zinc/62/68/52/497626852.db2.gz KTSHXYHIQXGWOE-UHFFFAOYSA-N -1 3 364.467 3.142 20 0 FGADHM CCn1nc(C)c(S(=O)(=O)[N-]c2c(F)c(F)c(F)c(F)c2F)c1C ZINC000272431650 497627416 /nfs/dbraw/zinc/62/74/16/497627416.db2.gz NJEUKEFTBLLPRD-UHFFFAOYSA-N -1 3 369.315 3.016 20 0 FGADHM O=C([O-])[C@@H]1CN(C(=O)C2CCN(Cc3ccccc3)CC2)c2ccccc21 ZINC000262856874 497639662 /nfs/dbraw/zinc/63/96/62/497639662.db2.gz YFTMOQLTULWSOQ-LJQANCHMSA-N -1 3 364.445 3.114 20 0 FGADHM O=C([O-])[C@@H]1CN(Cc2ccc(OCC(F)(F)F)cc2)C[C@H]1C(F)(F)F ZINC000262954938 497665678 /nfs/dbraw/zinc/66/56/78/497665678.db2.gz KDVYGLPXLPMWAW-VXGBXAGGSA-N -1 3 371.277 3.323 20 0 FGADHM Cc1csc(C(=O)Nc2cc(-c3nccn3C)[n-]n2)c1Br ZINC000190981994 497671590 /nfs/dbraw/zinc/67/15/90/497671590.db2.gz RISKOACLNMYDTB-UHFFFAOYSA-N -1 3 366.244 3.195 20 0 FGADHM Cc1csc(C(=O)Nc2cc(-c3nccn3C)n[n-]2)c1Br ZINC000190981994 497671594 /nfs/dbraw/zinc/67/15/94/497671594.db2.gz RISKOACLNMYDTB-UHFFFAOYSA-N -1 3 366.244 3.195 20 0 FGADHM COc1ccc(-n2c(CN3CC[C@@](C)(C(=O)[O-])C3)nc3ccccc32)cc1 ZINC000263037833 497687682 /nfs/dbraw/zinc/68/76/82/497687682.db2.gz DJPDQITXXVILQO-OAQYLSRUSA-N -1 3 365.433 3.331 20 0 FGADHM CC(C)(CCNCc1cn(-c2ccc(Cl)c(Cl)c2)nn1)C(=O)[O-] ZINC000263044923 497690352 /nfs/dbraw/zinc/69/03/52/497690352.db2.gz JPOKTPWOMVTVDJ-UHFFFAOYSA-N -1 3 357.241 3.165 20 0 FGADHM CO[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(-c3csc(C)n3)s2)C1 ZINC000191043807 497692067 /nfs/dbraw/zinc/69/20/67/497692067.db2.gz VRMDPGWIPLMCNA-WDEREUQCSA-N -1 3 358.510 3.026 20 0 FGADHM COc1ccc(CCS(=O)(=O)c2nc(C)c(-c3ccccc3)[n-]2)cc1 ZINC000191082029 497703413 /nfs/dbraw/zinc/70/34/13/497703413.db2.gz XVXHMLCLJVVZCC-UHFFFAOYSA-N -1 3 356.447 3.410 20 0 FGADHM COc1ccc(CCS(=O)(=O)c2nc(-c3ccccc3)c(C)[n-]2)cc1 ZINC000191082029 497703416 /nfs/dbraw/zinc/70/34/16/497703416.db2.gz XVXHMLCLJVVZCC-UHFFFAOYSA-N -1 3 356.447 3.410 20 0 FGADHM Cc1ccc([C@H](CNC(=O)NC2CCC(C(=O)[O-])CC2)N2CCCC2)cc1 ZINC000263139801 497715870 /nfs/dbraw/zinc/71/58/70/497715870.db2.gz ZQJFDJFHIZAOLI-ACBHZAAOSA-N -1 3 373.497 3.075 20 0 FGADHM COc1cccc(OC)c1OC1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000272757487 497722814 /nfs/dbraw/zinc/72/28/14/497722814.db2.gz KTOSUYZJIIDSRN-UHFFFAOYSA-N -1 3 357.406 3.093 20 0 FGADHM CCn1nc(C)c(C(=O)[N-]c2cc(F)cc(C(=O)OC)c2F)c1Cl ZINC000280348105 497727182 /nfs/dbraw/zinc/72/71/82/497727182.db2.gz WVWVFRISLDKOIH-UHFFFAOYSA-N -1 3 357.744 3.182 20 0 FGADHM CC(C)(C)c1ccc([C@H]2CCCN2C(=O)CN2CC[C@@H](C(=O)[O-])C2)cc1 ZINC000246501748 497754536 /nfs/dbraw/zinc/75/45/36/497754536.db2.gz PYCCPFOIGLLIQT-SJLPKXTDSA-N -1 3 358.482 3.054 20 0 FGADHM Cc1ccccc1C[C@H](CNCc1ccc(Br)o1)C(=O)[O-] ZINC000277172029 497763901 /nfs/dbraw/zinc/76/39/01/497763901.db2.gz DTTARYMUDVFSFH-CYBMUJFWSA-N -1 3 352.228 3.384 20 0 FGADHM Cc1nn(C)cc1[C@H](C)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000280486306 497769624 /nfs/dbraw/zinc/76/96/24/497769624.db2.gz BDJISHFBQLOYCH-QMMMGPOBSA-N -1 3 366.245 3.214 20 0 FGADHM Cc1cc(Br)cc(CNCCCC(=O)[O-])c1OC(F)F ZINC000263382998 497772523 /nfs/dbraw/zinc/77/25/23/497772523.db2.gz CFMXQYZTIJUPEL-UHFFFAOYSA-N -1 3 352.175 3.313 20 0 FGADHM CC(C)[C@H]1C[C@@H](CC(=O)N(C)Cc2nc3ccsc3c(=O)[n-]2)CCO1 ZINC000272974737 497775009 /nfs/dbraw/zinc/77/50/09/497775009.db2.gz 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/nfs/dbraw/zinc/98/71/43/497987143.db2.gz OUJBSZQENVOSIL-UHFFFAOYSA-N -1 3 362.433 3.378 20 0 FGADHM C[C@H]1C[C@@H](NC(=O)c2c(F)ccc([O-])c2F)CCN1Cc1ccccc1 ZINC000281012905 497987627 /nfs/dbraw/zinc/98/76/27/497987627.db2.gz NPLMUUDGPPWILI-ZFWWWQNUSA-N -1 3 360.404 3.453 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(NCCc3ccccc3OC)nc2)n1 ZINC000301195269 497993951 /nfs/dbraw/zinc/99/39/51/497993951.db2.gz YRHHLANYKXPQLN-UHFFFAOYSA-N -1 3 350.422 3.470 20 0 FGADHM COCc1nc(C(=O)[N-]c2nc3n(n2)CCCC3)c(-c2ccccc2)s1 ZINC000575334045 505964034 /nfs/dbraw/zinc/96/40/34/505964034.db2.gz MVYBMTCBFZHIBY-UHFFFAOYSA-N -1 3 369.450 3.137 20 0 FGADHM CCn1cnc(S(=O)(=O)[N-][C@@H]2CC3(CCCC3)Oc3ccccc32)c1 ZINC000330081432 498015049 /nfs/dbraw/zinc/01/50/49/498015049.db2.gz PQOCAEPWUQRPLM-OAHLLOKOSA-N -1 3 361.467 3.018 20 0 FGADHM Cc1cc(=O)[n-]c([C@H](C)N(C)Cc2cc3c(cc2OC(F)F)OCO3)n1 ZINC000581350494 505968027 /nfs/dbraw/zinc/96/80/27/505968027.db2.gz ZWKMTEZUKOKNQR-JTQLQIEISA-N -1 3 367.352 3.014 20 0 FGADHM CC(C)(CO)ON=C([O-])Nc1ccc(NC(=O)c2ccco2)c(Cl)c1 ZINC000296449234 498047058 /nfs/dbraw/zinc/04/70/58/498047058.db2.gz OYJVWLXNDZDGCL-UHFFFAOYSA-N -1 3 367.789 3.009 20 0 FGADHM CC(C)(CO)O[N-]C(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1 ZINC000296449234 498047064 /nfs/dbraw/zinc/04/70/64/498047064.db2.gz OYJVWLXNDZDGCL-UHFFFAOYSA-N -1 3 367.789 3.009 20 0 FGADHM CC(C)n1cc([N-]S(=O)(=O)CCc2ccccc2Br)cn1 ZINC000572452778 505971843 /nfs/dbraw/zinc/97/18/43/505971843.db2.gz WIJWADKKAWHUMG-UHFFFAOYSA-N -1 3 372.288 3.211 20 0 FGADHM CCCOc1ccc(OCCN2Cc3ccccc3C[C@@H]2C(=O)[O-])cc1 ZINC000578588483 505973640 /nfs/dbraw/zinc/97/36/40/505973640.db2.gz IEFOWPVSOWTCIU-HXUWFJFHSA-N -1 3 355.434 3.366 20 0 FGADHM CCOc1cc(-c2noc([C@H]3COCCN3C3CCCC3)n2)ccc1[O-] ZINC000289253431 498079606 /nfs/dbraw/zinc/07/96/06/498079606.db2.gz VXAQEYIEBYFAGD-OAHLLOKOSA-N -1 3 359.426 3.157 20 0 FGADHM Cc1ccc(-c2cc(-c3nc(CS(=O)(=O)c4ccccc4)no3)n[n-]2)o1 ZINC000350366986 498089118 /nfs/dbraw/zinc/08/91/18/498089118.db2.gz GPIIZCDJUDWIQH-UHFFFAOYSA-N -1 3 370.390 3.002 20 0 FGADHM Cc1ccc(-c2cc(-c3nc(CS(=O)(=O)c4ccccc4)no3)[n-]n2)o1 ZINC000350366986 498089124 /nfs/dbraw/zinc/08/91/24/498089124.db2.gz GPIIZCDJUDWIQH-UHFFFAOYSA-N -1 3 370.390 3.002 20 0 FGADHM CCOc1nc2cc(C(=O)N3CC4(CCC4)[C@H]3[C@@H]3CCCO3)ccc2[n-]1 ZINC000330333969 498107846 /nfs/dbraw/zinc/10/78/46/498107846.db2.gz YMWGHCYSPVPUMT-DLBZAZTESA-N -1 3 355.438 3.135 20 0 FGADHM CCOc1nc2ccc(C(=O)N3CC4(CCC4)[C@H]3[C@@H]3CCCO3)cc2[n-]1 ZINC000330333969 498107853 /nfs/dbraw/zinc/10/78/53/498107853.db2.gz YMWGHCYSPVPUMT-DLBZAZTESA-N -1 3 355.438 3.135 20 0 FGADHM Cc1nc(C(C)C)oc1C(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000292707128 498116457 /nfs/dbraw/zinc/11/64/57/498116457.db2.gz KIYJZMIIPOGRLD-UHFFFAOYSA-N -1 3 371.437 3.303 20 0 FGADHM CC(C)(C)c1nnc(C[N-]S(=O)(=O)CC23CCC(CC2)CC3)s1 ZINC000330355522 498117825 /nfs/dbraw/zinc/11/78/25/498117825.db2.gz QRPCSYZQFUQPJS-UHFFFAOYSA-N -1 3 357.545 3.225 20 0 FGADHM CC[C@](C)([N-]S(=O)(=O)C[C@H]1CCCC1(F)F)c1nc(C)cs1 ZINC000581410681 505982349 /nfs/dbraw/zinc/98/23/49/505982349.db2.gz CMGSVVRLOMVOAK-YPMHNXCESA-N -1 3 352.472 3.432 20 0 FGADHM CC[C@@](C)([N-]S(=O)(=O)C[C@@H]1CCCC1(F)F)c1nc(C)cs1 ZINC000581410680 505982380 /nfs/dbraw/zinc/98/23/80/505982380.db2.gz CMGSVVRLOMVOAK-WCQYABFASA-N -1 3 352.472 3.432 20 0 FGADHM CCCS(=O)(=O)[N-]c1ccc(-c2nc([C@H]3CCOC[C@H]3C)no2)cc1 ZINC000350609355 498124510 /nfs/dbraw/zinc/12/45/10/498124510.db2.gz JUGATDVFIJCERU-DOMZBBRYSA-N -1 3 365.455 3.028 20 0 FGADHM Cc1cc[nH]c1C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000281380866 498128285 /nfs/dbraw/zinc/12/82/85/498128285.db2.gz UQZZQKZLLOKSJO-UHFFFAOYSA-N -1 3 361.829 3.173 20 0 FGADHM CCOc1cc(-c2noc(-c3ccc(CS(C)(=O)=O)cc3)n2)ccc1[O-] ZINC000350790503 498136090 /nfs/dbraw/zinc/13/60/90/498136090.db2.gz FUAWGAOTCYPODA-UHFFFAOYSA-N -1 3 374.418 3.053 20 0 FGADHM C[C@@H](NC(=O)C1CCCCC1)C(=O)Nc1cc(Br)ccc1[O-] ZINC000330488026 498142428 /nfs/dbraw/zinc/14/24/28/498142428.db2.gz HWYVZWFIHMERLG-SNVBAGLBSA-N -1 3 369.259 3.178 20 0 FGADHM CC(C)(CO)ON=C([O-])Nc1cc(F)c(Br)cc1Cl ZINC000296664916 498143348 /nfs/dbraw/zinc/14/33/48/498143348.db2.gz GUUNPOLAPSBKGK-UHFFFAOYSA-N -1 3 355.591 3.066 20 0 FGADHM CC(C)(CO)O[N-]C(=O)Nc1cc(F)c(Br)cc1Cl ZINC000296664916 498143355 /nfs/dbraw/zinc/14/33/55/498143355.db2.gz GUUNPOLAPSBKGK-UHFFFAOYSA-N -1 3 355.591 3.066 20 0 FGADHM Cc1noc([C@H]2CCCCN2Cc2cc(=O)oc3c(C)c([O-])ccc23)n1 ZINC000285628038 498152763 /nfs/dbraw/zinc/15/27/63/498152763.db2.gz LDVUPTRMXMVKMQ-OAHLLOKOSA-N -1 3 355.394 3.226 20 0 FGADHM O=C(c1c[n-]c2ccncc2c1=O)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000575642058 505987374 /nfs/dbraw/zinc/98/73/74/505987374.db2.gz NJDNUVWMIZGDIQ-QKYXUNIQSA-N -1 3 359.429 3.331 20 0 FGADHM CC(C)[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)CCO1 ZINC000330625627 498162124 /nfs/dbraw/zinc/16/21/24/498162124.db2.gz HTNHHKLYQJEPFC-TZMCWYRMSA-N -1 3 352.283 3.475 20 0 FGADHM Cc1cccc(C)c1NC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000289490878 498167578 /nfs/dbraw/zinc/16/75/78/498167578.db2.gz KYTFZTWBCZBVOI-CYBMUJFWSA-N -1 3 357.376 3.226 20 0 FGADHM CCN(CC(=O)N1CCCCCC1)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000578658790 505991658 /nfs/dbraw/zinc/99/16/58/505991658.db2.gz NFJPSWGAGJGQNC-UHFFFAOYSA-N -1 3 364.461 3.105 20 0 FGADHM CSCCON=C([O-])Nc1ccc(-c2noc(C(F)(F)F)n2)cc1 ZINC000281516896 498177735 /nfs/dbraw/zinc/17/77/35/498177735.db2.gz VSDYFEKPJYSKQU-UHFFFAOYSA-N -1 3 362.333 3.172 20 0 FGADHM CSCCO[N-]C(=O)Nc1ccc(-c2noc(C(F)(F)F)n2)cc1 ZINC000281516896 498177741 /nfs/dbraw/zinc/17/77/41/498177741.db2.gz VSDYFEKPJYSKQU-UHFFFAOYSA-N -1 3 362.333 3.172 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)c1ccc(Br)o1)c1c(C)noc1C ZINC000330825358 498201189 /nfs/dbraw/zinc/20/11/89/498201189.db2.gz REYRSMKCKIPLML-VIFPVBQESA-N -1 3 363.233 3.077 20 0 FGADHM COCCCO[N-]C(=O)Nc1ncc(Cc2ccccc2Cl)s1 ZINC000285820184 498210861 /nfs/dbraw/zinc/21/08/61/498210861.db2.gz 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498256932 /nfs/dbraw/zinc/25/69/32/498256932.db2.gz DUJBTJBFTIHJLH-GORDUTHDSA-N -1 3 365.739 3.093 20 0 FGADHM Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)[N-]OC/C=C/Cl ZINC000289705960 498256933 /nfs/dbraw/zinc/25/69/33/498256933.db2.gz DUJBTJBFTIHJLH-GORDUTHDSA-N -1 3 365.739 3.093 20 0 FGADHM C[C@@]1(CO)CCC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000331198801 498273153 /nfs/dbraw/zinc/27/31/53/498273153.db2.gz VNOYKQXEMIGIIM-OLZOCXBDSA-N -1 3 371.808 3.188 20 0 FGADHM CCc1nc(SC[C@H]2CN(Cc3ccccc3)CCCO2)[n-]c(=O)c1C ZINC000575816118 506011241 /nfs/dbraw/zinc/01/12/41/506011241.db2.gz LLDAFLNJCNQHJD-QGZVFWFLSA-N -1 3 373.522 3.436 20 0 FGADHM C[C@@H](CON=C([O-])Nc1cc(F)cc(F)c1F)NC(=O)OC(C)(C)C ZINC000297084116 498317843 /nfs/dbraw/zinc/31/78/43/498317843.db2.gz OETXZRUAPRTDKY-QMMMGPOBSA-N -1 3 363.336 3.070 20 0 FGADHM C[C@@H](CO[N-]C(=O)Nc1cc(F)cc(F)c1F)NC(=O)OC(C)(C)C ZINC000297084116 498317850 /nfs/dbraw/zinc/31/78/50/498317850.db2.gz OETXZRUAPRTDKY-QMMMGPOBSA-N -1 3 363.336 3.070 20 0 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Cc1oc(C(C)C)cc1C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000332305050 498642821 /nfs/dbraw/zinc/64/28/21/498642821.db2.gz QZULZAPHEMLFNP-UHFFFAOYSA-N -1 3 370.449 3.452 20 0 FGADHM COc1ccc(CNC(=O)c2ccc(C)cc2[O-])cc1Br ZINC000303134255 498649144 /nfs/dbraw/zinc/64/91/44/498649144.db2.gz OWXZOJFKARWIFP-UHFFFAOYSA-N -1 3 350.212 3.402 20 0 FGADHM Cc1oc(-c2cccs2)nc1CC(=O)N=c1cc(-c2ccncc2)[n-][nH]1 ZINC000363110700 498654884 /nfs/dbraw/zinc/65/48/84/498654884.db2.gz LGDXHIUFVKVLRH-UHFFFAOYSA-N -1 3 365.418 3.100 20 0 FGADHM Cc1cc(CN2CCC[C@@H](c3n[n-]c(=O)o3)C2)ccc1Br ZINC000332345232 498656949 /nfs/dbraw/zinc/65/69/49/498656949.db2.gz RPBOTASVFWBLLG-GFCCVEGCSA-N -1 3 352.232 3.226 20 0 FGADHM CC1CCC(N2C[C@H](C(=O)Nc3cc(Cl)ccc3[O-])CC2=O)CC1 ZINC000303312576 498662065 /nfs/dbraw/zinc/66/20/65/498662065.db2.gz GBTXLOVWXYKOSL-MBHSVXNSSA-N -1 3 350.846 3.411 20 0 FGADHM COCCCO[N-]C(=O)Nc1cc(Br)ccc1N1CCCC1 ZINC000287178981 498662687 /nfs/dbraw/zinc/66/26/87/498662687.db2.gz 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370.449 3.004 20 0 FGADHM Cc1ccc2ncc(C(=O)[O-])c(N3CC[C@@H](c4nc(C5CC5)no4)C3)c2c1 ZINC000576111058 506079778 /nfs/dbraw/zinc/07/97/78/506079778.db2.gz JEPYBRJVPIVIGU-CYBMUJFWSA-N -1 3 364.405 3.496 20 0 FGADHM CCn1c(=O)[n-]c(=O)c2c(C(=O)NCCCC(C)(C)C)cc(C(C)C)nc21 ZINC000303912212 498727610 /nfs/dbraw/zinc/72/76/10/498727610.db2.gz XGEXUEAWNXBYMV-UHFFFAOYSA-N -1 3 374.485 3.197 20 0 FGADHM Cc1ccc(C)c(C(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)c1 ZINC000332563313 498727732 /nfs/dbraw/zinc/72/77/32/498727732.db2.gz YBBOAUZBMBBITC-UHFFFAOYSA-N -1 3 352.434 3.044 20 0 FGADHM COc1ccc([C@@H](C)NC(=O)NCc2ccc([O-])c(F)c2)c(C)c1OC ZINC000287359485 498728765 /nfs/dbraw/zinc/72/87/65/498728765.db2.gz HHPZLCAZDOIHRB-GFCCVEGCSA-N -1 3 362.401 3.417 20 0 FGADHM C[C@@H](CON=C([O-])Nc1nc(C2CCC2)cs1)NC(=O)OC(C)(C)C ZINC000282976608 498732666 /nfs/dbraw/zinc/73/26/66/498732666.db2.gz JXSUHCOMAZDGNJ-JTQLQIEISA-N -1 3 370.475 3.377 20 0 FGADHM C[C@@H](CO[N-]C(=O)Nc1nc(C2CCC2)cs1)NC(=O)OC(C)(C)C ZINC000282976608 498732668 /nfs/dbraw/zinc/73/26/68/498732668.db2.gz JXSUHCOMAZDGNJ-JTQLQIEISA-N -1 3 370.475 3.377 20 0 FGADHM CC(C)(C)[C@@H](NCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1)C(N)=O ZINC000298353711 498741707 /nfs/dbraw/zinc/74/17/07/498741707.db2.gz FPFGNNZMSFKJCH-HNNXBMFYSA-N -1 3 370.478 3.054 20 0 FGADHM COc1cccc2c(C(=O)Nc3cccc(NC(=O)C4CC4)c3)[n-]nc21 ZINC000579055999 506083358 /nfs/dbraw/zinc/08/33/58/506083358.db2.gz QKUGNCLWIVXFBV-UHFFFAOYSA-N -1 3 350.378 3.172 20 0 FGADHM COc1cccc2c(C(=O)Nc3cccc(NC(=O)C4CC4)c3)n[n-]c21 ZINC000579055999 506083361 /nfs/dbraw/zinc/08/33/61/506083361.db2.gz QKUGNCLWIVXFBV-UHFFFAOYSA-N -1 3 350.378 3.172 20 0 FGADHM COc1ccc2nc([N-]C(=O)c3cnc(C4OCCO4)s3)sc2c1 ZINC000283030998 498752053 /nfs/dbraw/zinc/75/20/53/498752053.db2.gz MVRMOPUEICVAHD-UHFFFAOYSA-N -1 3 363.420 3.059 20 0 FGADHM Cn1cnnc1[C@@H]1CCCN(C(=O)CCc2ccc3ccccc3c2[O-])C1 ZINC000294644295 498759709 /nfs/dbraw/zinc/75/97/09/498759709.db2.gz XZZHURIFMNFLPX-QGZVFWFLSA-N -1 3 364.449 3.013 20 0 FGADHM O=S(=O)([N-]Cc1noc2c1CCCC2)c1cc(Cl)cc(Cl)c1 ZINC000581906592 506086729 /nfs/dbraw/zinc/08/67/29/506086729.db2.gz FSUNQODRRAIELW-UHFFFAOYSA-N -1 3 361.250 3.339 20 0 FGADHM O=C([O-])[C@]12CCC[C@H]1CN(Cc1nn(-c3ccccc3)c3c1CCC3)C2 ZINC000294685017 498772431 /nfs/dbraw/zinc/77/24/31/498772431.db2.gz AGUXABHSMINRSX-BTYIYWSLSA-N -1 3 351.450 3.048 20 0 FGADHM Cc1c(-c2ccncc2)[n-][nH]c1=NC(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000363367049 498781886 /nfs/dbraw/zinc/78/18/86/498781886.db2.gz BFGHVUPSAUFGRY-KGLIPLIRSA-N -1 3 354.360 3.222 20 0 FGADHM O=C(CCCc1ccc([O-])c(F)c1)NCc1noc(-c2cccs2)n1 ZINC000581918558 506090048 /nfs/dbraw/zinc/09/00/48/506090048.db2.gz HQTWOUOZKRCJFF-UHFFFAOYSA-N -1 3 361.398 3.282 20 0 FGADHM CCN(CC)[C@H](CNC(=O)c1ccc(C(=O)[O-])cc1)c1cccc(OC)c1 ZINC000576159016 506090710 /nfs/dbraw/zinc/09/07/10/506090710.db2.gz IELXIJMDHJCNMT-LJQANCHMSA-N -1 3 370.449 3.206 20 0 FGADHM Cc1cccc2c(=O)c(C(=O)N3CCC[C@@H]3[C@@H]3CCCC[C@@]3(C)O)c[n-]c12 ZINC000332796125 498795573 /nfs/dbraw/zinc/79/55/73/498795573.db2.gz QKHCBHUTARBCQL-NJNPRVFISA-N -1 3 368.477 3.382 20 0 FGADHM C[C@H](CO)CCC[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000318709660 498798298 /nfs/dbraw/zinc/79/82/98/498798298.db2.gz QBMIOJVRVCTOHM-VIFPVBQESA-N -1 3 359.797 3.046 20 0 FGADHM C[C@H]1c2nnc(C3CCCC3)n2CCN1C(=O)NCc1ccc([O-])c(F)c1 ZINC000287568677 498800308 /nfs/dbraw/zinc/80/03/08/498800308.db2.gz VNQFBLFASYUJBW-LBPRGKRZSA-N -1 3 373.432 3.067 20 0 FGADHM CS[C@H](C(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1)c1ccccc1 ZINC000291131922 498808781 /nfs/dbraw/zinc/80/87/81/498808781.db2.gz OGPKDEOCERJZBW-JSGCOSHPSA-N -1 3 374.428 3.008 20 0 FGADHM Cc1cccc(Br)c1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000320785131 498808833 /nfs/dbraw/zinc/80/88/33/498808833.db2.gz YGKIFBCBPVLGQA-UHFFFAOYSA-N -1 3 358.199 3.190 20 0 FGADHM Cc1cccc(Br)c1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000320785131 498808836 /nfs/dbraw/zinc/80/88/36/498808836.db2.gz YGKIFBCBPVLGQA-UHFFFAOYSA-N -1 3 358.199 3.190 20 0 FGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@@H]1CCCC[C@H]1C(C)C ZINC000323133704 498819601 /nfs/dbraw/zinc/81/96/01/498819601.db2.gz ZJKWYKVVSDYAKH-QWHCGFSZSA-N -1 3 359.513 3.336 20 0 FGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@@H]1CCCC[C@@H]1C(C)C ZINC000323133700 498819854 /nfs/dbraw/zinc/81/98/54/498819854.db2.gz ZJKWYKVVSDYAKH-CHWSQXEVSA-N -1 3 359.513 3.336 20 0 FGADHM CO[C@H](C)c1noc(CN(C)C(=O)CCc2ccc3ccccc3c2[O-])n1 ZINC000294832826 498820414 /nfs/dbraw/zinc/82/04/14/498820414.db2.gz DLPHPCVIVAXSIC-CYBMUJFWSA-N -1 3 369.421 3.227 20 0 FGADHM CC(C)(C)[C@H](CCO)[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000323899549 498825033 /nfs/dbraw/zinc/82/50/33/498825033.db2.gz YFSNHLSGVCLNQZ-LBPRGKRZSA-N -1 3 373.824 3.434 20 0 FGADHM Cc1cccc2c(=O)c(C(=O)N3CC4(CCC4)[C@@H]3[C@H]3CCCO3)c[n-]c12 ZINC000332888804 498825225 /nfs/dbraw/zinc/82/52/25/498825225.db2.gz HWPXYPAEADSWGG-APWZRJJASA-N -1 3 352.434 3.010 20 0 FGADHM Cc1cc(NC(=O)CCc2c(C)nc(C)[n-]c2=O)nn1C1CCCCC1 ZINC000291184297 498833749 /nfs/dbraw/zinc/83/37/49/498833749.db2.gz SRNFIGFPJLNQJT-UHFFFAOYSA-N -1 3 357.458 3.380 20 0 FGADHM COc1cccc(OC)c1OC1CCN(C(=O)c2cccc(C)c2[O-])CC1 ZINC000298731180 498862273 /nfs/dbraw/zinc/86/22/73/498862273.db2.gz PZVXJRQKISTTPV-UHFFFAOYSA-N -1 3 371.433 3.401 20 0 FGADHM COc1ccc(C(=O)N2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)c([O-])c1 ZINC000287783707 498862907 /nfs/dbraw/zinc/86/29/07/498862907.db2.gz INSVDNZNQSNYSA-CEXWTWQISA-N -1 3 353.418 3.046 20 0 FGADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@@H]1CCCCC12CCCC2 ZINC000327840057 498864033 /nfs/dbraw/zinc/86/40/33/498864033.db2.gz PAXRPQKYAKWWDZ-MRXNPFEDSA-N -1 3 369.458 3.394 20 0 FGADHM Cc1ccc2cc(C(=O)N3CCC[C@H](C[N-]C(=O)C(F)(F)F)C3)[nH]c2c1 ZINC000291260534 498867163 /nfs/dbraw/zinc/86/71/63/498867163.db2.gz YSKNCRYTLPBBOS-GFCCVEGCSA-N -1 3 367.371 3.007 20 0 FGADHM O=C(c1ccc(C(=O)N2CCC[C@H]3COCC[C@@H]32)cc1)c1cccc([O-])c1 ZINC000333016502 498870435 /nfs/dbraw/zinc/87/04/35/498870435.db2.gz CJAJJDAHXBQJCP-ICSRJNTNSA-N -1 3 365.429 3.264 20 0 FGADHM Cc1nc(C)c(S(=O)(=O)[N-][C@H](c2ccc(F)cc2)[C@H]2CCCO2)s1 ZINC000333020264 498872370 /nfs/dbraw/zinc/87/23/70/498872370.db2.gz IQGIKBLMRPNWKR-HUUCEWRRSA-N -1 3 370.471 3.098 20 0 FGADHM O=C(c1ccc2c(c1[O-])CCCC2)N1CCc2c(nnn2-c2ccccc2)C1 ZINC000333032164 498875556 /nfs/dbraw/zinc/87/55/56/498875556.db2.gz HTDQWKOVYIELSG-UHFFFAOYSA-N -1 3 374.444 3.050 20 0 FGADHM CC1(C)Cc2ccc(C(=O)N3CCC4(C3)Oc3ccccc3O4)c([O-])c2O1 ZINC000333040933 498878547 /nfs/dbraw/zinc/87/85/47/498878547.db2.gz JLXIINRLJJCDRX-UHFFFAOYSA-N -1 3 367.401 3.119 20 0 FGADHM C[C@H](NC(=O)c1c[n-]c2ccccc2c1=O)c1ccc(-c2cncnc2)cc1 ZINC000363563490 498881457 /nfs/dbraw/zinc/88/14/57/498881457.db2.gz LWFPQEDDNYRFSI-AWEZNQCLSA-N -1 3 370.412 3.476 20 0 FGADHM [O-]c1ccc(CCCc2nc([C@H]3CN4CCCC[C@@H]4CO3)no2)cc1F ZINC000579161606 506107294 /nfs/dbraw/zinc/10/72/94/506107294.db2.gz MKGFYMIPZVIVHE-RHSMWYFYSA-N -1 3 361.417 3.015 20 0 FGADHM COC(=O)[C@H]1CCN(C(=O)CCc2ccc3ccccc3c2[O-])C[C@@H]1C ZINC000295054517 498894751 /nfs/dbraw/zinc/89/47/51/498894751.db2.gz AUZQQYVDWAMKCZ-YOEHRIQHSA-N -1 3 355.434 3.136 20 0 FGADHM CC1(C)Cc2ccc(C(=O)N3CCC[C@@H]3[C@H]3CCCC[C@@H]3O)c([O-])c2O1 ZINC000333108366 498901437 /nfs/dbraw/zinc/90/14/37/498901437.db2.gz WWHZEKFHAKXZCW-OIISXLGYSA-N -1 3 359.466 3.261 20 0 FGADHM COC(=O)c1cnc(SCc2ccc(N3CCC(OC)CC3)cc2)[n-]1 ZINC000295148537 498925581 /nfs/dbraw/zinc/92/55/81/498925581.db2.gz FQOFFJCYWBYXPF-UHFFFAOYSA-N -1 3 361.467 3.104 20 0 FGADHM COc1ccc2c(c1)[n-]cc(C(=O)N1CCS[C@H]3CCCC[C@@H]31)c2=O ZINC000333211039 498938613 /nfs/dbraw/zinc/93/86/13/498938613.db2.gz ZQYFXHQAMGOGIU-IRXDYDNUSA-N -1 3 358.463 3.037 20 0 FGADHM COc1ccc(CN[C@H]2C[C@@H](C)n3ccnc32)c(Br)c1[O-] ZINC000579194703 506114673 /nfs/dbraw/zinc/11/46/73/506114673.db2.gz LAVRLHYPTXUJSW-KOLCDFICSA-N -1 3 352.232 3.155 20 0 FGADHM CO[C@H](CS(=O)(=O)[N-]c1ccc(F)c([C@@H](C)O)c1)c1ccccc1 ZINC000295198761 498940301 /nfs/dbraw/zinc/94/03/01/498940301.db2.gz MRXQOIPLVKGDCB-SJKOYZFVSA-N -1 3 353.415 3.008 20 0 FGADHM CC(C)(C)c1cnc(CN2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)s1 ZINC000291499090 498965595 /nfs/dbraw/zinc/96/55/95/498965595.db2.gz HGIREBDEBVYYCK-LLVKDONJSA-N -1 3 363.449 3.331 20 0 FGADHM CCc1cc(C(=O)N2CCC[C@H](c3nnc4ccccn43)C2)ccc1[O-] ZINC000291509108 498969920 /nfs/dbraw/zinc/96/99/20/498969920.db2.gz QEMKMQSEOSPEEH-INIZCTEOSA-N -1 3 350.422 3.017 20 0 FGADHM Cc1nc(C)c(CCC(=O)NCCCCCCCCCCCO)c(=O)[n-]1 ZINC000295318214 498978204 /nfs/dbraw/zinc/97/82/04/498978204.db2.gz LUTAUYFLDKPAHV-UHFFFAOYSA-N -1 3 365.518 3.351 20 0 FGADHM Cc1cc([C@@H]2CCCN(C(=O)c3ccc4c(c3[O-])OC(C)(C)C4)C2)[nH]n1 ZINC000333326206 498980129 /nfs/dbraw/zinc/98/01/29/498980129.db2.gz XUGBGFZKHJZMPR-CQSZACIVSA-N -1 3 355.438 3.157 20 0 FGADHM COc1ccc(CN2CC[C@@H](O)CC(C)(C)C2)c(Br)c1[O-] ZINC000295341727 498985818 /nfs/dbraw/zinc/98/58/18/498985818.db2.gz YHQBYAQHBOTXQY-GFCCVEGCSA-N -1 3 358.276 3.146 20 0 FGADHM CC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2CC1 ZINC000283808500 498988012 /nfs/dbraw/zinc/98/80/12/498988012.db2.gz IAFAHDGIYYGLCT-UHFFFAOYSA-N -1 3 372.490 3.051 20 0 FGADHM Cc1nnsc1C[N-]C(=O)C(F)(F)c1ccccc1Br ZINC000295356491 498991189 /nfs/dbraw/zinc/99/11/89/498991189.db2.gz OQEKYNXIFXIWKZ-UHFFFAOYSA-N -1 3 362.199 3.017 20 0 FGADHM Cn1c2cc([O-])c(NC(=O)c3ccc(OC(C)(C)C)cc3)cc2n(C)c1=O ZINC000291559954 498991897 /nfs/dbraw/zinc/99/18/97/498991897.db2.gz NVIZBHHPZIVJEG-UHFFFAOYSA-N -1 3 369.421 3.012 20 0 FGADHM O=C([N-]c1nnc(C(F)F)s1)c1cccnc1OCC(F)(F)F ZINC000299207273 498994626 /nfs/dbraw/zinc/99/46/26/498994626.db2.gz AXZSDUORQMYPLC-UHFFFAOYSA-N -1 3 354.260 3.064 20 0 FGADHM CCc1ccc([C@@H](O)CNC(=O)c2cc([O-])ccc2C(F)(F)F)cc1 ZINC000288397845 499014312 /nfs/dbraw/zinc/01/43/12/499014312.db2.gz QBNHIOHOBWUJCG-INIZCTEOSA-N -1 3 353.340 3.437 20 0 FGADHM Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)c2csc(=O)[n-]2)C1 ZINC000363832535 499016227 /nfs/dbraw/zinc/01/62/27/499016227.db2.gz ZPUCKYASQPJTLU-LLVKDONJSA-N -1 3 351.859 3.067 20 0 FGADHM COc1cc(C)cc(-c2nc(C3(NC(C)=O)CCCCCC3)no2)c1[O-] ZINC000363870631 499033955 /nfs/dbraw/zinc/03/39/55/499033955.db2.gz WHGWDCIYTJGFNQ-UHFFFAOYSA-N -1 3 359.426 3.445 20 0 FGADHM O=C(NCCCO)c1ccc(NCc2cc([O-])cc(C(F)(F)F)c2)cc1 ZINC000291686628 499036268 /nfs/dbraw/zinc/03/62/68/499036268.db2.gz XTHSPPCZVUJQFZ-UHFFFAOYSA-N -1 3 368.355 3.135 20 0 FGADHM CCc1ncsc1C(=O)[N-]c1n[nH]c(-c2cccc(OC(F)F)c2)n1 ZINC000366705588 499040063 /nfs/dbraw/zinc/04/00/63/499040063.db2.gz AOSPHHWMMPUCLS-UHFFFAOYSA-N -1 3 365.365 3.344 20 0 FGADHM Cc1nc(C)c(CCC(=O)N[C@H]2C[C@H](c3cc(F)cc(F)c3)C2)c(=O)[n-]1 ZINC000366711834 499042599 /nfs/dbraw/zinc/04/25/99/499042599.db2.gz GYRBXOPKJOOSFD-SAZUREKKSA-N -1 3 361.392 3.072 20 0 FGADHM CCc1cc(C(=O)N[C@@H](C)c2ccc(S(=O)(=O)CC)cc2)ccc1[O-] ZINC000291720829 499046985 /nfs/dbraw/zinc/04/69/85/499046985.db2.gz WQNZPUYHWCNDJL-ZDUSSCGKSA-N -1 3 361.463 3.239 20 0 FGADHM CC1(CSc2nc(C3CC3)nc3c2c(=O)[n-]c(=O)n3C2CC2)CCC1 ZINC000333693296 499058679 /nfs/dbraw/zinc/05/86/79/499058679.db2.gz MVSQHIIVUVHTIM-UHFFFAOYSA-N -1 3 358.467 3.387 20 0 FGADHM Cc1nc(C)c(CCC(=O)n2ccccc2=NC2CCCCC2)c(=O)[n-]1 ZINC000295643505 499069959 /nfs/dbraw/zinc/06/99/59/499069959.db2.gz QWAJNHOGNLETDB-PTGBLXJZSA-N -1 3 354.454 3.107 20 0 FGADHM Cc1ccc(C(=O)N=c2nc(-c3ccccc3Cl)[n-]n2C)c(C2CC2)n1 ZINC000576325739 506130457 /nfs/dbraw/zinc/13/04/57/506130457.db2.gz WXXVEZURQQHASZ-UHFFFAOYSA-N -1 3 367.840 3.391 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CC(C)(C)[C@H]2C2CC2)c1 ZINC000291862899 499087931 /nfs/dbraw/zinc/08/79/31/499087931.db2.gz GSWCMDBATTUDOC-QGZVFWFLSA-N -1 3 369.421 3.202 20 0 FGADHM CCOc1ccc(C(=O)N(C)C)cc1NC(=O)c1ccc([O-])c(CC)c1 ZINC000291890441 499094623 /nfs/dbraw/zinc/09/46/23/499094623.db2.gz JAALVAZXUCIRGQ-UHFFFAOYSA-N -1 3 356.422 3.307 20 0 FGADHM C[C@H]([N-]S(=O)(=O)Cc1c(F)cccc1F)[C@H]1OCCc2sccc21 ZINC000291903344 499097483 /nfs/dbraw/zinc/09/74/83/499097483.db2.gz JIAXWALYQCHJKK-MGPLVRAMSA-N -1 3 373.446 3.148 20 0 FGADHM 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O=C(c1cc([O-])ccc1Cl)N1CCC(c2noc(C(F)F)n2)CC1 ZINC000378128216 499760131 /nfs/dbraw/zinc/76/01/31/499760131.db2.gz NJHMWUFLDKWUIF-UHFFFAOYSA-N -1 3 357.744 3.386 20 0 FGADHM CCc1ccccc1-n1cc(C(=O)[N-]c2nnc(C(C)(C)C)s2)nn1 ZINC000411555534 499762479 /nfs/dbraw/zinc/76/24/79/499762479.db2.gz HFZIJZMNHDREPK-UHFFFAOYSA-N -1 3 356.455 3.231 20 0 FGADHM CC[C@H]1CCCC[C@H]1CNC(=O)C(=O)[N-]c1nccn1-c1ccccc1 ZINC000411568203 499764156 /nfs/dbraw/zinc/76/41/56/499764156.db2.gz JVCRHHHJJFEFHT-HOTGVXAUSA-N -1 3 354.454 3.143 20 0 FGADHM Cc1cc(C)c(-c2cc(=NC(=O)C[C@H](C)c3cnn(C)c3)[nH][n-]2)cc1C ZINC000411574537 499764998 /nfs/dbraw/zinc/76/49/98/499764998.db2.gz WBXZXHFVQHXKQV-AWEZNQCLSA-N -1 3 351.454 3.290 20 0 FGADHM CC[C@H](NC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1)[C@H](O)C(C)C ZINC000414412653 499788607 /nfs/dbraw/zinc/78/86/07/499788607.db2.gz LAKUYTVWHRRNHS-MAUKXSAKSA-N -1 3 358.442 3.075 20 0 FGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H](C)Cn2ccnc2)c1Cl ZINC000414454933 499794429 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C[C@@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)NCc1ncccc1[O-] ZINC000412300042 499842700 /nfs/dbraw/zinc/84/27/00/499842700.db2.gz QCDQIRSHQQKBLL-NSHDSACASA-N -1 3 354.328 3.181 20 0 FGADHM CC(=O)c1ccc(C(=O)N2C[C@@H](c3ccc(Cl)cc3)[C@H](CO)C2)cc1[O-] ZINC000412373979 499849781 /nfs/dbraw/zinc/84/97/81/499849781.db2.gz SOJAOPHWQGHLRU-YJBOKZPZSA-N -1 3 373.836 3.096 20 0 FGADHM COC[C@H](CNC(=O)c1ccc(C(C)=O)c([O-])c1)c1ccc(Cl)cc1 ZINC000412384243 499850565 /nfs/dbraw/zinc/85/05/65/499850565.db2.gz PGKBIMPUMFFDEU-HNNXBMFYSA-N -1 3 361.825 3.408 20 0 FGADHM CC(=O)c1ccc(C(=O)Nc2ccc3c(c2)nc(C)n3[C@H](C)CO)cc1[O-] ZINC000412401272 499851924 /nfs/dbraw/zinc/85/19/24/499851924.db2.gz MAFSKTMWIKULHP-LLVKDONJSA-N -1 3 367.405 3.059 20 0 FGADHM C[C@@]1(c2ccc(C(=O)NCC3(C)CCC(C)(C)CC3)cc2)NC(=O)[N-]C1=O ZINC000412614523 499868947 /nfs/dbraw/zinc/86/89/47/499868947.db2.gz PFOOIZCYUGAOKI-NRFANRHFSA-N -1 3 371.481 3.078 20 0 FGADHM COc1ccc(Cc2nnc(SCc3cc(=O)[n-]c(C4CC4)n3)o2)cc1 ZINC000412978112 499901950 /nfs/dbraw/zinc/90/19/50/499901950.db2.gz MPIQFRVVQPCFPW-UHFFFAOYSA-N -1 3 370.434 3.334 20 0 FGADHM O=c1cc(CSc2nnc(C3CC3)n2Cc2ccco2)nc(C2CC2)[n-]1 ZINC000412984099 499902352 /nfs/dbraw/zinc/90/23/52/499902352.db2.gz PJPIVBWEPCXYLH-UHFFFAOYSA-N -1 3 369.450 3.462 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1cccc(CN2CCCCC2)c1 ZINC000413323766 499941294 /nfs/dbraw/zinc/94/12/94/499941294.db2.gz IMQXSXJKMALJBE-UHFFFAOYSA-N -1 3 362.437 3.105 20 0 FGADHM C[C@@H](C(=O)OC(C)(C)C)C([O-])=Nc1nc(-c2ccccc2Cl)ns1 ZINC000413416864 499951328 /nfs/dbraw/zinc/95/13/28/499951328.db2.gz CJADWRFSHQSVCH-SECBINFHSA-N -1 3 367.858 3.197 20 0 FGADHM COc1cc(NCc2cc(=O)[n-]c(C3CC3)n2)ccc1Br ZINC000417031444 499952793 /nfs/dbraw/zinc/95/27/93/499952793.db2.gz XIJVSWVYOQNSJH-UHFFFAOYSA-N -1 3 350.216 3.443 20 0 FGADHM CO[C@@H](Cc1ccccc1)CS(=O)(=O)[N-]c1cccc(OC(C)C)c1 ZINC000421147616 499972352 /nfs/dbraw/zinc/97/23/52/499972352.db2.gz FASMJYRSTHJUSO-IBGZPJMESA-N -1 3 363.479 3.473 20 0 FGADHM CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1ccc(C)c(OC(F)F)c1 ZINC000421147229 499972380 /nfs/dbraw/zinc/97/23/80/499972380.db2.gz FPFNIXJKMUUIDD-ZDUSSCGKSA-N -1 3 351.415 3.399 20 0 FGADHM CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1ccc(NC(=O)CC(C)C)cc1 ZINC000421157248 499975269 /nfs/dbraw/zinc/97/52/69/499975269.db2.gz RDKPKERPJYJDCT-QGZVFWFLSA-N -1 3 370.515 3.474 20 0 FGADHM O=C([O-])c1ccc(CN2CCC(OC[C@@H]3CCCCO3)CC2)cc1F ZINC000576479093 506168772 /nfs/dbraw/zinc/16/87/72/506168772.db2.gz AYLBCYNVYOVMMC-INIZCTEOSA-N -1 3 351.418 3.074 20 0 FGADHM Cc1ccc(F)c(-c2cc(=NC(=O)CCn3ccnc3C(C)C)[nH][n-]2)c1 ZINC000416252547 499995949 /nfs/dbraw/zinc/99/59/49/499995949.db2.gz PHROWTLUKHDCAK-UHFFFAOYSA-N -1 3 355.417 3.295 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H]2Cc2cc(F)ccc2F)c1 ZINC000416259973 499998740 /nfs/dbraw/zinc/99/87/40/499998740.db2.gz QVJSACRYLYVPIQ-INIZCTEOSA-N -1 3 374.387 3.476 20 0 FGADHM COC(=O)[C@@H](CNC(=O)Nc1ccc(C)s1)Cc1ccc([O-])c(F)c1 ZINC000421245748 500000768 /nfs/dbraw/zinc/00/07/68/500000768.db2.gz YKYXQPMBKNEKDO-GFCCVEGCSA-N -1 3 366.414 3.055 20 0 FGADHM O=S(=O)([N-]CCOCC1CCC1)c1ccc(Cl)cc1C(F)(F)F ZINC000579421387 506170004 /nfs/dbraw/zinc/17/00/04/506170004.db2.gz STUYFJGCLNXQFD-UHFFFAOYSA-N -1 3 371.808 3.454 20 0 FGADHM CCn1c(CNC[C@@H](Cc2cccc(OC)c2)C(=O)[O-])nc2ccccc21 ZINC000576492654 506171955 /nfs/dbraw/zinc/17/19/55/506171955.db2.gz SECVDHGRPXNRCO-MRXNPFEDSA-N -1 3 367.449 3.098 20 0 FGADHM CCc1ccc([C@H](COC)[N-]S(=O)(=O)c2ccc(Cl)c(OC)c2)o1 ZINC000416407875 500038428 /nfs/dbraw/zinc/03/84/28/500038428.db2.gz MPZWHKAKUVTOAR-AWEZNQCLSA-N -1 3 373.858 3.170 20 0 FGADHM O=c1nc(Cc2nnc3n2CCCCC3)[n-]c2sc(C(F)(F)F)cc21 ZINC000416414127 500039584 /nfs/dbraw/zinc/03/95/84/500039584.db2.gz QUALWPCLKSLNAR-UHFFFAOYSA-N -1 3 369.372 3.324 20 0 FGADHM CCO[C@@H]1C[C@@H](N(C)C(=O)c2cc(=O)[n-]c(C3CC3)n2)C12CCCCC2 ZINC000570461717 506172747 /nfs/dbraw/zinc/17/27/47/506172747.db2.gz IXLVNYNSRQJBTJ-HZPDHXFCSA-N -1 3 359.470 3.260 20 0 FGADHM CC(C)(C)c1ccncc1C[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000416594889 500069528 /nfs/dbraw/zinc/06/95/28/500069528.db2.gz QRWYGHMQMONMLV-UHFFFAOYSA-N -1 3 358.385 3.275 20 0 FGADHM C[C@@H]1C[C@H](C[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)[C@@H](C)O1 ZINC000416595761 500069654 /nfs/dbraw/zinc/06/96/54/500069654.db2.gz FHVOFLZCXJEZKK-OPRDCNLKSA-N -1 3 371.808 3.451 20 0 FGADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]C[C@@H](C)CC(F)(F)F)cc1Cl ZINC000416613347 500073423 /nfs/dbraw/zinc/07/34/23/500073423.db2.gz ZZGSLNKQRFGVFE-QMMMGPOBSA-N -1 3 372.796 3.165 20 0 FGADHM CC(C)(C[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)c1cccnc1 ZINC000416626857 500075147 /nfs/dbraw/zinc/07/51/47/500075147.db2.gz DMIIZVYQPLQSHQ-UHFFFAOYSA-N -1 3 364.414 3.418 20 0 FGADHM C[C@H]([N-]S(=O)(=O)Cc1cc(Cl)cc(Cl)c1)c1csnn1 ZINC000416629864 500075492 /nfs/dbraw/zinc/07/54/92/500075492.db2.gz HNCTUXFYBTVBJX-ZETCQYMHSA-N -1 3 352.268 3.026 20 0 FGADHM CC(C)(C)c1ncc(CN[C@H](CSCCc2ccccc2)C(=O)[O-])cn1 ZINC000417559224 500108527 /nfs/dbraw/zinc/10/85/27/500108527.db2.gz HPFMEGDLGDHRML-QGZVFWFLSA-N -1 3 373.522 3.293 20 0 FGADHM COC(=O)c1cc(CN[C@@]2(C(=O)[O-])C[C@H](C(C)C)c3ccccc32)c[nH]1 ZINC000417562189 500110553 /nfs/dbraw/zinc/11/05/53/500110553.db2.gz BSLRCDAXYGOSQZ-QRWLVFNGSA-N -1 3 356.422 3.014 20 0 FGADHM CC[C@@H](NCc1cc(Br)cc(C)c1OC(F)F)C(=O)[O-] ZINC000417570223 500112860 /nfs/dbraw/zinc/11/28/60/500112860.db2.gz DCQZSCCCMCENIS-SNVBAGLBSA-N -1 3 352.175 3.312 20 0 FGADHM CC[C@@H](C)[C@H](C)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Br ZINC000421681188 500115310 /nfs/dbraw/zinc/11/53/10/500115310.db2.gz GNYZGACXHNJVSR-SFYZADRCSA-N -1 3 356.186 3.251 20 0 FGADHM C[C@H]1CCC[C@H](C(=O)N=c2[n-]n(CC(F)(F)F)cc2Br)C1 ZINC000421684732 500115929 /nfs/dbraw/zinc/11/59/29/500115929.db2.gz ZAYVKUBSHNAOIA-IUCAKERBSA-N -1 3 368.197 3.395 20 0 FGADHM Cn1[n-]c(=NC(=O)NC2(c3ccc(F)cc3)CCCC2)cc1OC(F)F ZINC000429646225 500117713 /nfs/dbraw/zinc/11/77/13/500117713.db2.gz CJTVMXJOECFPGC-UHFFFAOYSA-N -1 3 368.359 3.174 20 0 FGADHM Cn1[n-]c(=NC(=O)NC(C)(C)c2cccc(Cl)c2)cc1OC(F)F ZINC000429650565 500118719 /nfs/dbraw/zinc/11/87/19/500118719.db2.gz PWMUJDGHSHZZNG-UHFFFAOYSA-N -1 3 358.776 3.154 20 0 FGADHM COCC[C@@H](NCc1cn(-c2ccc(C)cc2)nc1C(C)(C)C)C(=O)[O-] ZINC000417592410 500119285 /nfs/dbraw/zinc/11/92/85/500119285.db2.gz JLMZGGZFGZZMRA-QGZVFWFLSA-N -1 3 359.470 3.058 20 0 FGADHM C[C@@H](NCc1cc(Br)ccc1OC(F)F)[C@H](C)C(=O)[O-] ZINC000417599570 500121932 /nfs/dbraw/zinc/12/19/32/500121932.db2.gz CGXQVVIXZUECSV-JGVFFNPUSA-N -1 3 352.175 3.249 20 0 FGADHM CCOCCOc1ccc(Br)cc1CN[C@@H](C)[C@@H](C)C(=O)[O-] ZINC000417607212 500123550 /nfs/dbraw/zinc/12/35/50/500123550.db2.gz GNQUPSUMUJXJTB-NEPJUHHUSA-N -1 3 374.275 3.063 20 0 FGADHM Cc1ccc(-c2nn(-c3ccccc3)cc2CNCCSCC(=O)[O-])o1 ZINC000417612168 500125080 /nfs/dbraw/zinc/12/50/80/500125080.db2.gz BQSFEHHZKXAZNW-UHFFFAOYSA-N -1 3 371.462 3.348 20 0 FGADHM COc1cccc(CN[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)[O-])n1 ZINC000417616271 500125858 /nfs/dbraw/zinc/12/58/58/500125858.db2.gz GZMOTDCOGMMUGA-CQSZACIVSA-N -1 3 355.221 3.183 20 0 FGADHM O=C([O-])C[C@@H](CNCc1cnn(-c2ccc(Cl)cc2)c1)C(F)(F)F ZINC000417622311 500127432 /nfs/dbraw/zinc/12/74/32/500127432.db2.gz IEHSRWWGHBRVQV-NSHDSACASA-N -1 3 361.751 3.269 20 0 FGADHM CC[C@H](CCC(=O)[O-])NCc1cc(OC)c(OC)cc1Br ZINC000417622699 500127469 /nfs/dbraw/zinc/12/74/69/500127469.db2.gz MKUAUUXEALNINH-LLVKDONJSA-N -1 3 360.248 3.199 20 0 FGADHM CC(C)n1ncc2cc(CN[C@H]3C[C@@H](C(=O)[O-])c4ccccc43)cnc21 ZINC000417623488 500128576 /nfs/dbraw/zinc/12/85/76/500128576.db2.gz JUUAVFZMPSKXEO-MSOLQXFVSA-N -1 3 350.422 3.415 20 0 FGADHM O=C([O-])COCCNCc1ccc(OCc2c(F)cccc2Cl)cc1 ZINC000417626313 500129388 /nfs/dbraw/zinc/12/93/88/500129388.db2.gz RBDUVNQLISWHRL-UHFFFAOYSA-N -1 3 367.804 3.249 20 0 FGADHM O=C([O-])C[C@H](CNCc1cccc(OCC(F)(F)F)c1)C(F)(F)F ZINC000417633831 500131104 /nfs/dbraw/zinc/13/11/04/500131104.db2.gz UPOICVASIFBBIV-SNVBAGLBSA-N -1 3 359.266 3.371 20 0 FGADHM COCCOc1ccc(CN[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)cc1OC ZINC000417637517 500132842 /nfs/dbraw/zinc/13/28/42/500132842.db2.gz YYZVDJVSJIDZFS-ZWKOTPCHSA-N -1 3 371.433 3.123 20 0 FGADHM COc1cccc(Sc2ccccc2CNC[C@H](CC(=O)[O-])OC)c1 ZINC000417637591 500132915 /nfs/dbraw/zinc/13/29/15/500132915.db2.gz NMYLICHLXOTQJD-INIZCTEOSA-N -1 3 361.463 3.426 20 0 FGADHM COc1cccc(C[C@H](CNCc2cc(F)c(F)c(F)c2)C(=O)[O-])c1 ZINC000417648284 500137239 /nfs/dbraw/zinc/13/72/39/500137239.db2.gz JGIQWRIVNVIUHZ-CYBMUJFWSA-N -1 3 353.340 3.146 20 0 FGADHM Cc1ccccc1-n1cc(CNCCC2(CC(=O)[O-])CCCCC2)nn1 ZINC000417657672 500139952 /nfs/dbraw/zinc/13/99/52/500139952.db2.gz YUUQMOHFVGZFDX-UHFFFAOYSA-N -1 3 356.470 3.481 20 0 FGADHM CC(C)(C)OC(=O)C[C@H](NCc1cccc(OC2CCCC2)c1)C(=O)[O-] ZINC000417665646 500142890 /nfs/dbraw/zinc/14/28/90/500142890.db2.gz QJVKNVRYXYLUTM-KRWDZBQOSA-N -1 3 363.454 3.283 20 0 FGADHM O=S(=O)([N-]Cc1nccn1C(F)F)c1ccc(Cl)cc1Cl ZINC000429815888 500149557 /nfs/dbraw/zinc/14/95/57/500149557.db2.gz ADBICPQGCOKGMP-UHFFFAOYSA-N -1 3 356.181 3.064 20 0 FGADHM O=S(=O)([N-]C[C@@H](CCO)c1ccccc1)c1ccc(Cl)cc1Cl ZINC000429818094 500150085 /nfs/dbraw/zinc/15/00/85/500150085.db2.gz CEBGOYDSMJVFAH-CYBMUJFWSA-N -1 3 374.289 3.438 20 0 FGADHM O=C(N=c1cc2ccccn2[n-]1)c1ccc(Br)c2c1OCCC2 ZINC000579456263 506179186 /nfs/dbraw/zinc/17/91/86/506179186.db2.gz IGUPHYFJTICFIR-UHFFFAOYSA-N -1 3 372.222 3.096 20 0 FGADHM O=S(=O)([N-]C1CCSCC1)c1cc(Cl)ccc1Br ZINC000429867364 500159518 /nfs/dbraw/zinc/15/95/18/500159518.db2.gz LRXNNNUPFYUEKA-UHFFFAOYSA-N -1 3 370.721 3.276 20 0 FGADHM O=S(=O)([N-]CCc1ccco1)c1cc(Cl)ccc1Br ZINC000429904173 500164961 /nfs/dbraw/zinc/16/49/61/500164961.db2.gz ZSMJIWYKOKTIII-UHFFFAOYSA-N -1 3 364.648 3.217 20 0 FGADHM O=C(Cc1ccc([O-])cc1Cl)NC[C@]1(CO)C[C@@H]1c1ccc(F)cc1 ZINC000430157326 500201633 /nfs/dbraw/zinc/20/16/33/500201633.db2.gz QFTIAQBEJYISCB-APWZRJJASA-N -1 3 363.816 3.010 20 0 FGADHM CCC(CC)[C@H](C)C(=O)NC[C@H](Cc1ccc([O-])c(F)c1)C(=O)OC ZINC000422038190 500203662 /nfs/dbraw/zinc/20/36/62/500203662.db2.gz LGJCSOHDFCBAQF-WFASDCNBSA-N -1 3 353.434 3.052 20 0 FGADHM O=C(NCCCCCc1ccc(F)cc1)NCc1nnc(C(F)(F)F)[n-]1 ZINC000430197654 500207407 /nfs/dbraw/zinc/20/74/07/500207407.db2.gz VVOWIPWGKJEJLG-UHFFFAOYSA-N -1 3 373.354 3.175 20 0 FGADHM O=C(NCCCCCc1ccc(F)cc1)NCc1n[n-]c(C(F)(F)F)n1 ZINC000430197654 500207411 /nfs/dbraw/zinc/20/74/11/500207411.db2.gz VVOWIPWGKJEJLG-UHFFFAOYSA-N -1 3 373.354 3.175 20 0 FGADHM O=C(NCCCCCc1ccc(F)cc1)NCc1nc(C(F)(F)F)n[n-]1 ZINC000430197654 500207413 /nfs/dbraw/zinc/20/74/13/500207413.db2.gz VVOWIPWGKJEJLG-UHFFFAOYSA-N -1 3 373.354 3.175 20 0 FGADHM COC(=O)c1ccsc1[N-]C(=O)C(=O)N1CCCC[C@H]1c1ccccc1 ZINC000430205535 500208716 /nfs/dbraw/zinc/20/87/16/500208716.db2.gz UHAZYISUGILRPY-HNNXBMFYSA-N -1 3 372.446 3.227 20 0 FGADHM Cc1nc2ccc([N-]S(=O)(=O)Cc3ccc(Cl)cc3Cl)cn2n1 ZINC000430369047 500231793 /nfs/dbraw/zinc/23/17/93/500231793.db2.gz HQVYUQOXHXGHMT-UHFFFAOYSA-N -1 3 371.249 3.286 20 0 FGADHM Cc1ncc(CNC(=O)N[C@@H](C)c2ccc(C(F)(F)F)cc2)c(=O)[n-]1 ZINC000573378979 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CC[C@H](SC)C(=O)Nc1n[n-]c(-c2ccc(Br)cc2F)n1 ZINC000438339960 500773068 /nfs/dbraw/zinc/77/30/68/500773068.db2.gz JUFFTJCCMCDLSV-JTQLQIEISA-N -1 3 373.251 3.453 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)CCCOc3ccccc3C)[n-]c21 ZINC000438344302 500773687 /nfs/dbraw/zinc/77/36/87/500773687.db2.gz XJVLEHMQMDUKEH-UHFFFAOYSA-N -1 3 367.405 3.456 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)CCCOc3ccccc3C)nc21 ZINC000438344302 500773688 /nfs/dbraw/zinc/77/36/88/500773688.db2.gz XJVLEHMQMDUKEH-UHFFFAOYSA-N -1 3 367.405 3.456 20 0 FGADHM C[C@H](NC(=O)c1c[n-]c2ccc(Br)cc2c1=O)c1ccccn1 ZINC000443922083 500778461 /nfs/dbraw/zinc/77/84/61/500778461.db2.gz VOJIXCNQYTUUFP-JTQLQIEISA-N -1 3 372.222 3.177 20 0 FGADHM CC(C)(C)c1cccc(C(=O)Nc2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)c1 ZINC000570738043 506216057 /nfs/dbraw/zinc/21/60/57/506216057.db2.gz WLOZAKGJWRONFF-OAQYLSRUSA-N -1 3 365.433 3.291 20 0 FGADHM CC[C@@H](C)[C@@H]([N-]S(=O)(=O)c1cccc(C(=O)OC)c1C)C(F)(F)F ZINC000443947772 500781887 /nfs/dbraw/zinc/78/18/87/500781887.db2.gz SMKMQPWZGXNTQL-NOZJJQNGSA-N -1 3 367.389 3.037 20 0 FGADHM CC[C@@H](C)[C@H]([N-]S(=O)(=O)c1ccc(OC)c(F)c1C)C(F)(F)F ZINC000443949635 500782734 /nfs/dbraw/zinc/78/27/34/500782734.db2.gz XDTBZJOFVLCTAO-OQPBUACISA-N -1 3 357.369 3.398 20 0 FGADHM O=C(CCc1ccc2ccccc2c1[O-])NCCCN1CCCCCC1=O ZINC000448607273 500784134 /nfs/dbraw/zinc/78/41/34/500784134.db2.gz QYNRNTSWMKKYTD-UHFFFAOYSA-N -1 3 368.477 3.387 20 0 FGADHM Cc1cc(CS(=O)(=O)[N-][C@@H](CC(F)(F)F)c2ccccc2C)on1 ZINC000443984504 500787368 /nfs/dbraw/zinc/78/73/68/500787368.db2.gz YAWOIPXJJPTUGE-AWEZNQCLSA-N -1 3 362.373 3.405 20 0 FGADHM O=C(CSCc1cc(=O)[n-]c(C2CC2)n1)Nc1cc(F)cc(F)c1 ZINC000582410629 506216836 /nfs/dbraw/zinc/21/68/36/506216836.db2.gz KDKWWTWITGJXLY-UHFFFAOYSA-N -1 3 351.378 3.210 20 0 FGADHM CC(C)(c1nnc([N-]C(=O)c2cnn3ncccc23)s1)c1ccccc1 ZINC000434112579 500797627 /nfs/dbraw/zinc/79/76/27/500797627.db2.gz XOJGRETVKWXZOR-UHFFFAOYSA-N -1 3 364.434 3.159 20 0 FGADHM O=S(=O)([N-]C[C@H](O)C1CCCCC1)c1ccc(C(F)(F)F)cc1F ZINC000444089825 500801573 /nfs/dbraw/zinc/80/15/73/500801573.db2.gz YHHGCTNCOJZYHS-ZDUSSCGKSA-N -1 3 369.380 3.064 20 0 FGADHM COC(=O)c1nscc1S(=O)(=O)[N-][C@@H]1CCC[C@H](C(C)(C)C)CC1 ZINC000444212713 500818180 /nfs/dbraw/zinc/81/81/80/500818180.db2.gz ALSVMTJYPOBJBL-NWDGAFQWSA-N -1 3 374.528 3.203 20 0 FGADHM CCc1ncc(S(=O)(=O)[N-]CCc2cn(C)c3cc(C)ccc23)s1 ZINC000444278502 500828489 /nfs/dbraw/zinc/82/84/89/500828489.db2.gz ORXBQRXSPRJWEP-UHFFFAOYSA-N -1 3 363.508 3.027 20 0 FGADHM CCOCc1nc(C)c(C(=O)[N-]c2nnc(-c3ccccn3)s2)s1 ZINC000448767405 500828621 /nfs/dbraw/zinc/82/86/21/500828621.db2.gz LLXAXFGSFZMLDH-UHFFFAOYSA-N -1 3 361.452 3.154 20 0 FGADHM O=C(NCc1cccc(CN2CCCCCC2)c1)C(=O)c1ccc([O-])cc1 ZINC000438909665 500834633 /nfs/dbraw/zinc/83/46/33/500834633.db2.gz DHEYVQJUXITHCH-UHFFFAOYSA-N -1 3 366.461 3.267 20 0 FGADHM COc1cccc(CN(C[C@@H]2CCCO2)C(=O)Cc2ccc([O-])c(F)c2)c1 ZINC000448798068 500837606 /nfs/dbraw/zinc/83/76/06/500837606.db2.gz KVIIZFNVQDTGNB-SFHVURJKSA-N -1 3 373.424 3.290 20 0 FGADHM O=C(c1c[n-]c2c(OC(F)(F)F)cccc2c1=O)N1CC[C@H]2CCC[C@@H]21 ZINC000444363073 500839509 /nfs/dbraw/zinc/83/95/09/500839509.db2.gz KMRYTGHIDYFXIC-MFKMUULPSA-N -1 3 366.339 3.441 20 0 FGADHM CCOC(=O)[C@@H]1CCCCN1C(=O)CCc1ccc2ccccc2c1[O-] ZINC000448832208 500846891 /nfs/dbraw/zinc/84/68/91/500846891.db2.gz VOPYIXYRDQABMU-SFHVURJKSA-N -1 3 355.434 3.422 20 0 FGADHM Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)Cc1ccc([O-])c(F)c1 ZINC000448833064 500846953 /nfs/dbraw/zinc/84/69/53/500846953.db2.gz FRTUOOLCRNCUQK-UHFFFAOYSA-N -1 3 358.413 3.407 20 0 FGADHM CCOCc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])cc1 ZINC000439050476 500850585 /nfs/dbraw/zinc/85/05/85/500850585.db2.gz CCDBGKSZPWIKKX-SFHVURJKSA-N -1 3 368.433 3.172 20 0 FGADHM Cc1n[nH]cc1-c1nnc(NC(=O)c2cc3c(cc2[O-])CCCC3)s1 ZINC000444479598 500852345 /nfs/dbraw/zinc/85/23/45/500852345.db2.gz OOAFBENKFXNQQW-UHFFFAOYSA-N -1 3 355.423 3.073 20 0 FGADHM Cn1ncc2c1ncc(C(=O)N1C[C@@H](c3ccccc3)c3ccccc31)c2[O-] ZINC000444514094 500854894 /nfs/dbraw/zinc/85/48/94/500854894.db2.gz HYNCLVLXXTUDEE-SFHVURJKSA-N -1 3 370.412 3.466 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H](C(C)C)C2)c1 ZINC000444529966 500856141 /nfs/dbraw/zinc/85/61/41/500856141.db2.gz ULOABSJUFIPQFU-AWEZNQCLSA-N -1 3 371.437 3.449 20 0 FGADHM CC(C)[C@@H](NC(=O)Cc1ccc([O-])c(F)c1)c1nc(-c2ccncc2)no1 ZINC000448873262 500857900 /nfs/dbraw/zinc/85/79/00/500857900.db2.gz ZDILSOQBKDKPBK-QGZVFWFLSA-N -1 3 370.384 3.032 20 0 FGADHM C[C@@H](c1ccc(NC(=O)Cc2ccc([O-])c(F)c2)cc1)N1CCOCC1 ZINC000448918313 500869033 /nfs/dbraw/zinc/86/90/33/500869033.db2.gz QXBZLZGWACXPFZ-AWEZNQCLSA-N -1 3 358.413 3.106 20 0 FGADHM Cn1ncc2c1ncc(C(=O)N1C[C@H](C(C)(C)C)c3ccccc31)c2[O-] ZINC000444628682 500869367 /nfs/dbraw/zinc/86/93/67/500869367.db2.gz DMXOVIKXVRADOO-HNNXBMFYSA-N -1 3 350.422 3.464 20 0 FGADHM C[C@H](CN1CCN(C(=O)c2ccccc2[O-])CC1)c1cc(F)cc(F)c1 ZINC000449012486 500896481 /nfs/dbraw/zinc/89/64/81/500896481.db2.gz CZFJGODQNSXHAS-CQSZACIVSA-N -1 3 360.404 3.232 20 0 FGADHM O=C(N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1)[C@H]1CCC[C@H](O)C1 ZINC000439499601 500907060 /nfs/dbraw/zinc/90/70/60/500907060.db2.gz OZPDIJJFPNIECX-ZANVPECISA-N -1 3 354.237 3.295 20 0 FGADHM CC[C@H]1Cc2c(Br)cccc2CN1c1nc2nncc-2c(O)[n-]1 ZINC000444863871 500913149 /nfs/dbraw/zinc/91/31/49/500913149.db2.gz GGTOPBLOUAZOFP-JTQLQIEISA-N -1 3 374.242 3.162 20 0 FGADHM CCO[C@@H](C[N-]S(=O)(=O)c1cc(OC)ccc1Cl)c1ccccc1 ZINC000444976825 500928615 /nfs/dbraw/zinc/92/86/15/500928615.db2.gz AEEHRJKRTCKQOL-INIZCTEOSA-N -1 3 369.870 3.405 20 0 FGADHM COCCc1nc2cc(NC(=O)c3cc(-c4ccco4)[n-]n3)ccc2o1 ZINC000439988031 500963289 /nfs/dbraw/zinc/96/32/89/500963289.db2.gz IGUKGMBWJCXOTF-UHFFFAOYSA-N -1 3 352.350 3.252 20 0 FGADHM COCCc1nc2cc(NC(=O)c3cc(-c4ccco4)n[n-]3)ccc2o1 ZINC000439988031 500963290 /nfs/dbraw/zinc/96/32/90/500963290.db2.gz IGUKGMBWJCXOTF-UHFFFAOYSA-N -1 3 352.350 3.252 20 0 FGADHM Cc1ccc(-c2cc(-c3nc(CC(=O)Nc4ccccc4F)no3)n[n-]2)o1 ZINC000445294053 500967891 /nfs/dbraw/zinc/96/78/91/500967891.db2.gz BJDSUEGEGKYSFS-UHFFFAOYSA-N -1 3 367.340 3.348 20 0 FGADHM Cc1ccc(-c2cc(-c3nc(CC(=O)Nc4ccccc4F)no3)[n-]n2)o1 ZINC000445294053 500967894 /nfs/dbraw/zinc/96/78/94/500967894.db2.gz BJDSUEGEGKYSFS-UHFFFAOYSA-N -1 3 367.340 3.348 20 0 FGADHM C[C@@H](CN1CCC[C@H](C)C1)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000440084363 500973090 /nfs/dbraw/zinc/97/30/90/500973090.db2.gz ZWMYLLNFVODYAA-RYUDHWBXSA-N -1 3 365.326 3.392 20 0 FGADHM Cc1ccc(F)c(-c2noc(CS(=O)(=O)[N-]C3CCC(C)CC3)n2)c1 ZINC000445452631 500988120 /nfs/dbraw/zinc/98/81/20/500988120.db2.gz FDKKZRNRVSJEAI-UHFFFAOYSA-N -1 3 367.446 3.182 20 0 FGADHM Cc1noc(C2CCC([N-]S(=O)(=O)c3ccc(Cl)cc3F)CC2)n1 ZINC000440381865 501002117 /nfs/dbraw/zinc/00/21/17/501002117.db2.gz RAIGSZUPUAYQMC-UHFFFAOYSA-N -1 3 373.837 3.175 20 0 FGADHM CCc1ccnc(C[N-]S(=O)(=O)c2csc(-c3ccccc3)n2)c1 ZINC000435628457 501004738 /nfs/dbraw/zinc/00/47/38/501004738.db2.gz PUWFCOVJWMLFJN-UHFFFAOYSA-N -1 3 359.476 3.246 20 0 FGADHM CCc1ccc([O-])c(-c2nc(-c3ccc(S(=O)(=O)CC)cc3)no2)c1 ZINC000445604791 501009064 /nfs/dbraw/zinc/00/90/64/501009064.db2.gz NBFLZTVQQMQDBW-UHFFFAOYSA-N -1 3 358.419 3.465 20 0 FGADHM Cc1cc(C(=O)N=c2[nH][n-]c(C)c2-c2ccc3c(c2)OCCO3)c(C)o1 ZINC000435713533 501016187 /nfs/dbraw/zinc/01/61/87/501016187.db2.gz LAFKPGTXJYVVDR-UHFFFAOYSA-N -1 3 353.378 3.040 20 0 FGADHM CCOC(=O)C[C@@H]([N-]S(=O)(=O)c1cccc(C)c1F)c1ccccc1 ZINC000611618424 506229697 /nfs/dbraw/zinc/22/96/97/506229697.db2.gz SBVDVEDGZTXVBH-OAHLLOKOSA-N -1 3 365.426 3.107 20 0 FGADHM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-][C@H](CC(F)(F)F)C(C)C ZINC000445697889 501021032 /nfs/dbraw/zinc/02/10/32/501021032.db2.gz VEDDCWMVYUEEHD-CYBMUJFWSA-N -1 3 369.453 3.411 20 0 FGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)[C@H]2[C@H](c3ccccc3)[C@@H]2C)c1 ZINC000435756513 501023395 /nfs/dbraw/zinc/02/33/95/501023395.db2.gz RRVJYLJWXVOPKZ-DOPJRALCSA-N -1 3 358.463 3.355 20 0 FGADHM CCC1(c2noc(CS(=O)(=O)[N-]C3CCC(C)CC3)n2)CCCC1 ZINC000445793961 501032918 /nfs/dbraw/zinc/03/29/18/501032918.db2.gz MMRXIIHZHZCDRL-UHFFFAOYSA-N -1 3 355.504 3.290 20 0 FGADHM CCOC(=O)c1csc(=NC[C@@H]2CCCN(C)[C@@H]2c2cccs2)[n-]1 ZINC000450349280 501097618 /nfs/dbraw/zinc/09/76/18/501097618.db2.gz NWMCLLBLFFRBGL-WFASDCNBSA-N -1 3 365.524 3.298 20 0 FGADHM CC(=O)c1[n-]c(=NCc2ccc(C)cc2OC[C@H]2CCOC2)sc1C ZINC000450381194 501106135 /nfs/dbraw/zinc/10/61/35/501106135.db2.gz TZDURNJWOYSGKD-HNNXBMFYSA-N -1 3 360.479 3.412 20 0 FGADHM CC(=O)c1[n-]c(=NCc2ccc(COC3CCOCC3)cc2)sc1C ZINC000450398959 501111845 /nfs/dbraw/zinc/11/18/45/501111845.db2.gz BHXLIBVDBRXTJZ-UHFFFAOYSA-N -1 3 360.479 3.384 20 0 FGADHM C[C@H](NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)c1ccc(Cl)cc1Cl ZINC000446379703 501112774 /nfs/dbraw/zinc/11/27/74/501112774.db2.gz XKGSILQVSPEGJJ-QMMMGPOBSA-N -1 3 363.200 3.368 20 0 FGADHM CCCN(CCN(C)C)C(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000436433326 501126570 /nfs/dbraw/zinc/12/65/70/501126570.db2.gz TVHQTZXNGQSASO-UHFFFAOYSA-N -1 3 354.450 3.037 20 0 FGADHM COCC[C@@]1(NC(=O)c2cc(CCc3ccccc3)ccc2[O-])CCOC1 ZINC000446577468 501136355 /nfs/dbraw/zinc/13/63/55/501136355.db2.gz MCQLKVWEEYDWCK-JOCHJYFZSA-N -1 3 369.461 3.103 20 0 FGADHM COCCn1cc(CNC(=O)c2cc(C(C)C)cc(C(C)C)c2[O-])cn1 ZINC000436486681 501137071 /nfs/dbraw/zinc/13/70/71/501137071.db2.gz JBYPYYXSRQQXEM-UHFFFAOYSA-N -1 3 359.470 3.412 20 0 FGADHM COc1cc(-c2noc(-c3ccnc(NC(=O)C(C)C)c3)n2)ccc1[O-] ZINC000436520305 501146737 /nfs/dbraw/zinc/14/67/37/501146737.db2.gz FGPRUCNLGMVRBH-UHFFFAOYSA-N -1 3 354.366 3.107 20 0 FGADHM COc1ccc(C(=O)N(Cc2ccc(OC)cc2OC)CC2CC2)c([O-])c1 ZINC000436520074 501146804 /nfs/dbraw/zinc/14/68/04/501146804.db2.gz CGCBSALQTPGHNS-UHFFFAOYSA-N -1 3 371.433 3.470 20 0 FGADHM CC(C)(C)C1=CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])CC1 ZINC000436521543 501147714 /nfs/dbraw/zinc/14/77/14/501147714.db2.gz NHROEFSUQSZAPE-KRWDZBQOSA-N -1 3 356.466 3.202 20 0 FGADHM CC(C)[C@@H]1CCCC[C@@H]1NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436525020 501148403 /nfs/dbraw/zinc/14/84/03/501148403.db2.gz DBQQATVLKOAKCV-OALUTQOASA-N -1 3 373.497 3.074 20 0 FGADHM C[C@H](NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2)c1ccc(NC(N)=O)cc1 ZINC000436528461 501149272 /nfs/dbraw/zinc/14/92/72/501149272.db2.gz XHFQEHDDFLPAIA-NSHDSACASA-N -1 3 369.421 3.087 20 0 FGADHM O=C(NCCn1cnnc1C1CC1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436538943 501151119 /nfs/dbraw/zinc/15/11/19/501151119.db2.gz RUTUFKZMXLNNPP-UHFFFAOYSA-N -1 3 364.405 3.083 20 0 FGADHM CC[C@H](C(=O)N1CCC(NC(=O)c2ccccc2[O-])CC1)c1ccccc1 ZINC000436540662 501151676 /nfs/dbraw/zinc/15/16/76/501151676.db2.gz SSWPZUUBIWJKRM-SFHVURJKSA-N -1 3 366.461 3.307 20 0 FGADHM COc1cc2c(cc1OC)CCN(C(=O)c1ccc(C)c(C)c1[O-])CC2 ZINC000436539878 501151776 /nfs/dbraw/zinc/15/17/76/501151776.db2.gz PTVRZZAYVGETFH-UHFFFAOYSA-N -1 3 355.434 3.267 20 0 FGADHM COCCCN(CCc1ccc(OC)cc1)C(=O)c1cc(OC)ccc1[O-] ZINC000436545887 501153386 /nfs/dbraw/zinc/15/33/86/501153386.db2.gz NMZAJUZHRMXXDG-UHFFFAOYSA-N -1 3 373.449 3.131 20 0 FGADHM COCCCN(CCc1ccc(OC)cc1)C(=O)c1ccc(OC)cc1[O-] ZINC000436545849 501153500 /nfs/dbraw/zinc/15/35/00/501153500.db2.gz HZOHUHHXFIYVQF-UHFFFAOYSA-N -1 3 373.449 3.131 20 0 FGADHM C[C@@H]1CCN(C)CCN1C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436547476 501153832 /nfs/dbraw/zinc/15/38/32/501153832.db2.gz KNYNXXGDYXLONN-QGZVFWFLSA-N -1 3 352.478 3.344 20 0 FGADHM CCOCCN1CCN(C(=O)c2cc(C(C)C)cc(C(C)C)c2[O-])CC1 ZINC000436550635 501154891 /nfs/dbraw/zinc/15/48/91/501154891.db2.gz XPJYAUQSXVIKLP-UHFFFAOYSA-N -1 3 362.514 3.433 20 0 FGADHM COC(=O)CCN(C(=O)c1cc(OCc2ccccc2)ccc1[O-])C(C)C ZINC000436553203 501155426 /nfs/dbraw/zinc/15/54/26/501155426.db2.gz ZGWMJEVCGOSCFJ-UHFFFAOYSA-N -1 3 371.433 3.385 20 0 FGADHM CCCS(=O)(=O)Nc1ccc(NC(=O)c2ccc(C)c(C)c2[O-])cc1 ZINC000436551229 501155478 /nfs/dbraw/zinc/15/54/78/501155478.db2.gz XNYPATPYNXNWKS-UHFFFAOYSA-N -1 3 362.451 3.413 20 0 FGADHM CCOC(=O)[C@H](Cc1ccccc1)N(C(=O)c1ccc(C)cc1[O-])C1CC1 ZINC000436556510 501155888 /nfs/dbraw/zinc/15/58/88/501155888.db2.gz QIPDGDPBJGWLMH-IBGZPJMESA-N -1 3 367.445 3.480 20 0 FGADHM CC(=O)c1ccc(C(=O)Nc2ccc(-n3nc(C)cc3C)nc2)cc1[O-] ZINC000436560184 501157342 /nfs/dbraw/zinc/15/73/42/501157342.db2.gz AEDKFCKHUFQQJT-UHFFFAOYSA-N -1 3 350.378 3.045 20 0 FGADHM COc1cc(OC)cc(N2CCCN(C(=O)c3cccc(C)c3[O-])CC2)c1 ZINC000436579039 501161034 /nfs/dbraw/zinc/16/10/34/501161034.db2.gz WPVCKPIIQIKTIA-UHFFFAOYSA-N -1 3 370.449 3.070 20 0 FGADHM C[C@@](O)(CNC(=O)c1cc(OCc2ccccc2)ccc1[O-])C(F)(F)F ZINC000436579073 501161478 /nfs/dbraw/zinc/16/14/78/501161478.db2.gz BIFGLVXLIVPNEK-QGZVFWFLSA-N -1 3 369.339 3.014 20 0 FGADHM COc1cccc(C(=O)N[C@H](C)c2ccc(NC(=O)NC3CC3)cc2)c1[O-] ZINC000436580132 501162008 /nfs/dbraw/zinc/16/20/08/501162008.db2.gz AFRFNWVIWXIGGB-GFCCVEGCSA-N -1 3 369.421 3.176 20 0 FGADHM COC(=O)[C@]1(C)CCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])C1 ZINC000436587957 501163922 /nfs/dbraw/zinc/16/39/22/501163922.db2.gz YKUNIHBWUOPGHM-JOCHJYFZSA-N -1 3 367.445 3.203 20 0 FGADHM CC[C@@H]1Oc2cc([C@@H](C)NC(=O)c3ccc(OC)cc3[O-])ccc2NC1=O ZINC000436588346 501164136 /nfs/dbraw/zinc/16/41/36/501164136.db2.gz MMDGQVQRYMSAEF-DIFFPNOSSA-N -1 3 370.405 3.001 20 0 FGADHM CC[C@H]1Oc2cc([C@H](C)NC(=O)c3cc(OC)ccc3[O-])ccc2NC1=O ZINC000436591865 501165085 /nfs/dbraw/zinc/16/50/85/501165085.db2.gz YPAZGMQRAPZAPW-APPDUMDISA-N -1 3 370.405 3.001 20 0 FGADHM CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)c2cc(C)ccc2[O-])c1 ZINC000436596009 501166026 /nfs/dbraw/zinc/16/60/26/501166026.db2.gz KMQYVHUFZXXLAF-CYBMUJFWSA-N -1 3 362.451 3.030 20 0 FGADHM Cc1cc(C)n(-c2ccc(NC(=O)c3c[n-]c4c(C)cccc4c3=O)cn2)n1 ZINC000607719015 506237865 /nfs/dbraw/zinc/23/78/65/506237865.db2.gz KPTPALCXLYYPFR-UHFFFAOYSA-N -1 3 373.416 3.286 20 0 FGADHM COC(=O)C[C@H]1CCCN1C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436600548 501167776 /nfs/dbraw/zinc/16/77/76/501167776.db2.gz GBCXOTCEGGZTIL-CQSZACIVSA-N -1 3 355.390 3.352 20 0 FGADHM CC[C@H]1CN(c2ccccc2)CCN1C(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000436609364 501168978 /nfs/dbraw/zinc/16/89/78/501168978.db2.gz KYAGLTKHXAMEHH-KRWDZBQOSA-N -1 3 367.449 3.092 20 0 FGADHM CC[C@@H](C)NC(=O)[C@H](C)NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436611685 501170151 /nfs/dbraw/zinc/17/01/51/501170151.db2.gz LLTKGSOPBANDRY-CABCVRRESA-N -1 3 354.450 3.016 20 0 FGADHM CCc1nnc(CNC(=O)c2cc(OCc3ccccc3)ccc2[O-])s1 ZINC000436615381 501170327 /nfs/dbraw/zinc/17/03/27/501170327.db2.gz DKBMEFJVWGHTHW-UHFFFAOYSA-N -1 3 369.446 3.315 20 0 FGADHM CCCN(CCN1CCCC1)C(=O)c1cc(Br)ccc1[O-] ZINC000436621481 501171861 /nfs/dbraw/zinc/17/18/61/501171861.db2.gz VWAFAWKYIXPDLD-UHFFFAOYSA-N -1 3 355.276 3.103 20 0 FGADHM CN(C)CCOc1ccc(NC(=O)c2cc(F)cc(Cl)c2[O-])cc1 ZINC000436627070 501172689 /nfs/dbraw/zinc/17/26/89/501172689.db2.gz MGPOOSRZRQAZHV-UHFFFAOYSA-N -1 3 352.793 3.377 20 0 FGADHM C[C@@H]1CCCC[C@H]1CCNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436627941 501172761 /nfs/dbraw/zinc/17/27/61/501172761.db2.gz VZQLRBXJOUJIDT-RYRKJORJSA-N -1 3 358.482 3.329 20 0 FGADHM COC(=O)[C@H](C[C@H]1CCCc2ccccc21)NC(=O)c1ccc([O-])c(C)c1 ZINC000436628988 501173606 /nfs/dbraw/zinc/17/36/06/501173606.db2.gz HXTDMXRTWVLMHO-APWZRJJASA-N -1 3 367.445 3.482 20 0 FGADHM CCc1ccc(-c2noc([C@H](C)NC(=O)c3ccc(O)cc3[O-])n2)cc1 ZINC000436629780 501173922 /nfs/dbraw/zinc/17/39/22/501173922.db2.gz KUZVRTADRHNCSJ-NSHDSACASA-N -1 3 353.378 3.201 20 0 FGADHM C[C@H]1CC(C)(C)CC[C@H]1NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436632897 501174731 /nfs/dbraw/zinc/17/47/31/501174731.db2.gz HADHXZOQLMBXOP-DOTOQJQBSA-N -1 3 373.497 3.074 20 0 FGADHM O=C(Nc1nnc(Cc2cccc(Cl)c2)s1)c1c([O-])cccc1O ZINC000436645690 501177432 /nfs/dbraw/zinc/17/74/32/501177432.db2.gz DILKPCZYVOZEJW-UHFFFAOYSA-N -1 3 361.810 3.446 20 0 FGADHM CC[C@@H](C)NC(=O)c1cccc(CNC(=O)c2ccc(C)c(C)c2[O-])c1 ZINC000436650315 501178708 /nfs/dbraw/zinc/17/87/08/501178708.db2.gz YTIMEYBBKZEDGA-CQSZACIVSA-N -1 3 354.450 3.467 20 0 FGADHM O=C(Nc1cccc(CN2CC[C@@H](O)C2)c1)c1cc2ccccc2cc1[O-] ZINC000436650531 501178822 /nfs/dbraw/zinc/17/88/22/501178822.db2.gz WPSFEFAQNFXING-LJQANCHMSA-N -1 3 362.429 3.364 20 0 FGADHM CC(=O)NCCN(Cc1ccsc1)C(=O)c1ccc(C(C)C)cc1[O-] ZINC000436659631 501181563 /nfs/dbraw/zinc/18/15/63/501181563.db2.gz QBKXSKZESNVBFD-UHFFFAOYSA-N -1 3 360.479 3.356 20 0 FGADHM COc1cc(-c2nc([C@H](OC)c3ccc(F)cc3)no2)cc(OC)c1[O-] ZINC000436686325 501188676 /nfs/dbraw/zinc/18/86/76/501188676.db2.gz DVEBBQYFKGCRFO-MRXNPFEDSA-N -1 3 360.341 3.334 20 0 FGADHM C[C@@H]1CN(Cc2cccc(CNC(=O)c3cc(Cl)ccc3[O-])c2)CCO1 ZINC000436688240 501188930 /nfs/dbraw/zinc/18/89/30/501188930.db2.gz KFVZFBHSIBBPAA-CQSZACIVSA-N -1 3 374.868 3.196 20 0 FGADHM Cc1ccc(C(=O)NCCc2nc(-c3ccc4[nH]ccc4c3)no2)c([O-])c1 ZINC000436692348 501189681 /nfs/dbraw/zinc/18/96/81/501189681.db2.gz WZZPPIXMIMVMQM-UHFFFAOYSA-N -1 3 362.389 3.204 20 0 FGADHM CC(=O)NC1CCC(NC(=O)c2cc(Cc3ccccc3)ccc2[O-])CC1 ZINC000436698571 501190530 /nfs/dbraw/zinc/19/05/30/501190530.db2.gz QDZZSTOJAAGCRS-UHFFFAOYSA-N -1 3 366.461 3.160 20 0 FGADHM COc1ccc(CN2CCN(C(=O)c3ccccc3[O-])CC2)c(Cl)c1 ZINC000436699882 501191341 /nfs/dbraw/zinc/19/13/41/501191341.db2.gz WPLLCSCTEUWOME-UHFFFAOYSA-N -1 3 360.841 3.012 20 0 FGADHM COC(=O)C[C@@H](NC(=O)c1cccc(C)c1[O-])c1ccc(SC)cc1 ZINC000436704023 501192066 /nfs/dbraw/zinc/19/20/66/501192066.db2.gz NSFQQMSZJVMOLD-MRXNPFEDSA-N -1 3 359.447 3.457 20 0 FGADHM Cc1ccc(C(=O)N(Cc2ccc(-n3cncn3)cc2)C2CC2)c([O-])c1C ZINC000436713286 501194551 /nfs/dbraw/zinc/19/45/51/501194551.db2.gz DQEZXRLBMUMXIE-UHFFFAOYSA-N -1 3 362.433 3.395 20 0 FGADHM COc1cc(C)cc(C(=O)Nc2nnn(Cc3ccccc3F)c2C)c1[O-] ZINC000436715864 501195838 /nfs/dbraw/zinc/19/58/38/501195838.db2.gz YXNUTFWFMJKQRD-UHFFFAOYSA-N -1 3 370.384 3.049 20 0 FGADHM O=C(c1ccc([O-])cc1)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000436719479 501196601 /nfs/dbraw/zinc/19/66/01/501196601.db2.gz DBLYDCQAYUWANO-UHFFFAOYSA-N -1 3 352.221 3.056 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N(C)Cc2cccs2)c1 ZINC000436730613 501198685 /nfs/dbraw/zinc/19/86/85/501198685.db2.gz XKXJUDXKOSOATF-UHFFFAOYSA-N -1 3 371.418 3.275 20 0 FGADHM CCOc1cccc([C@@H]2C[C@H]2NC(=O)c2cc(OC)c([O-])c(OC)c2)c1 ZINC000436734150 501199601 /nfs/dbraw/zinc/19/96/01/501199601.db2.gz AAJSVCAGJDNMTC-JKSUJKDBSA-N -1 3 357.406 3.094 20 0 FGADHM Cc1cc(C(F)(F)F)ccc1C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000450746083 501199607 /nfs/dbraw/zinc/19/96/07/501199607.db2.gz HYMKQNSQQUACJH-UHFFFAOYSA-N -1 3 352.238 3.081 20 0 FGADHM Cc1cc(C(F)(F)F)ccc1C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000450746083 501199610 /nfs/dbraw/zinc/19/96/10/501199610.db2.gz HYMKQNSQQUACJH-UHFFFAOYSA-N -1 3 352.238 3.081 20 0 FGADHM Cc1cc(C(F)(F)F)ccc1C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000450746083 501199612 /nfs/dbraw/zinc/19/96/12/501199612.db2.gz HYMKQNSQQUACJH-UHFFFAOYSA-N -1 3 352.238 3.081 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)Nc2ccc(C3CCC3)cn2)c([O-])c1 ZINC000436733950 501200082 /nfs/dbraw/zinc/20/00/82/501200082.db2.gz ZVKJGWQGVMEPQU-UHFFFAOYSA-N -1 3 353.422 3.122 20 0 FGADHM Cn1[n-]c(=NC(=O)NCCc2cc3ccccc3s2)cc1OC(F)F ZINC000582469710 506240313 /nfs/dbraw/zinc/24/03/13/506240313.db2.gz YEQRTAKVHFRMEB-UHFFFAOYSA-N -1 3 366.393 3.022 20 0 FGADHM CN(C)Cc1cc(CNC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)ccc1F ZINC000436744412 501202862 /nfs/dbraw/zinc/20/28/62/501202862.db2.gz MARPLDBSNGPCMJ-UHFFFAOYSA-N -1 3 372.440 3.236 20 0 FGADHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1CCCC(C)(C)CC1 ZINC000442172135 501203903 /nfs/dbraw/zinc/20/39/03/501203903.db2.gz OBUURSCKHQJKKS-UHFFFAOYSA-N -1 3 366.483 3.210 20 0 FGADHM COc1cccc([C@@H](CNC(=O)c2cc(F)ccc2[O-])N2CCCC2)c1 ZINC000436757930 501206113 /nfs/dbraw/zinc/20/61/13/501206113.db2.gz WQHDTAORWZNXBT-GOSISDBHSA-N -1 3 358.413 3.107 20 0 FGADHM C[C@@H](CNC(=O)c1cc(Br)ccc1[O-])N1CCC[C@@H](C)C1 ZINC000436764045 501207853 /nfs/dbraw/zinc/20/78/53/501207853.db2.gz JNFDEDRZDXDAIM-NEPJUHHUSA-N -1 3 355.276 3.005 20 0 FGADHM C[C@@H](CNC(=O)c1cc(Br)ccc1[O-])N1CCC[C@H](C)C1 ZINC000436764047 501208062 /nfs/dbraw/zinc/20/80/62/501208062.db2.gz JNFDEDRZDXDAIM-RYUDHWBXSA-N -1 3 355.276 3.005 20 0 FGADHM CCOc1ccccc1[C@H](Cc1nc(-c2ccc([O-])cc2)no1)NC(C)=O ZINC000436770690 501208443 /nfs/dbraw/zinc/20/84/43/501208443.db2.gz SSESJZPBVKJPQE-KRWDZBQOSA-N -1 3 367.405 3.261 20 0 FGADHM CCCCOc1ccc(C(=O)N2CCN([C@@H]3C[C@H]3C)C[C@H](C)C2)c([O-])c1 ZINC000436791468 501212050 /nfs/dbraw/zinc/21/20/50/501212050.db2.gz JQCPGPLGGRKIIU-FRQCXROJSA-N -1 3 360.498 3.373 20 0 FGADHM Cc1cccc(C(=O)N[C@H](CO)c2ccc(Br)c(F)c2)c1[O-] ZINC000436789726 501212136 /nfs/dbraw/zinc/21/21/36/501212136.db2.gz CPPKLVNUGAVVJK-CQSZACIVSA-N -1 3 368.202 3.066 20 0 FGADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCc2cc[nH]c(=O)c2C1 ZINC000436816179 501216107 /nfs/dbraw/zinc/21/61/07/501216107.db2.gz NAPUDNHBMZOLOY-UHFFFAOYSA-N -1 3 360.413 3.282 20 0 FGADHM CCc1ccc(C(=O)Nc2cccc(C(=O)Nc3ccncc3)c2)c([O-])c1 ZINC000436819634 501216381 /nfs/dbraw/zinc/21/63/81/501216381.db2.gz INNHUWPYQZBMIB-UHFFFAOYSA-N -1 3 361.401 3.276 20 0 FGADHM COc1cc(C)cc(NC(=O)CCNC(=O)c2ccc(C)cc2[O-])c1C ZINC000436824022 501216742 /nfs/dbraw/zinc/21/67/42/501216742.db2.gz YGTAYGZKRJZDQA-UHFFFAOYSA-N -1 3 356.422 3.085 20 0 FGADHM COc1ccc(C(=O)NCc2ccc(Br)cc2C)c([O-])c1 ZINC000436833036 501218698 /nfs/dbraw/zinc/21/86/98/501218698.db2.gz KQULLANLERPXMZ-UHFFFAOYSA-N -1 3 350.212 3.402 20 0 FGADHM CC(=O)c1ccc(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)cc1[O-] ZINC000436855959 501221651 /nfs/dbraw/zinc/22/16/51/501221651.db2.gz YIAMDRPYEVYDBD-IBGZPJMESA-N -1 3 352.434 3.162 20 0 FGADHM CCOC(=O)c1csc(=NCCCC(=O)Nc2ccc(Cl)cc2)[n-]1 ZINC000450267138 501222353 /nfs/dbraw/zinc/22/23/53/501222353.db2.gz WJSDBKGKDOTBDB-UHFFFAOYSA-N -1 3 367.858 3.226 20 0 FGADHM COc1ccc(C(=O)NC[C@@H](OC(C)C)c2ccccc2OC)c([O-])c1 ZINC000436865658 501223831 /nfs/dbraw/zinc/22/38/31/501223831.db2.gz VEIAJDAYUHXPSR-LJQANCHMSA-N -1 3 359.422 3.306 20 0 FGADHM CCOc1cc(-c2noc(Cc3ccccc3NC(C)=O)n2)ccc1[O-] ZINC000436868973 501224606 /nfs/dbraw/zinc/22/46/06/501224606.db2.gz BLDKHDZLGKJXAU-UHFFFAOYSA-N -1 3 353.378 3.390 20 0 FGADHM O=c1[n-]nc([C@@H]2CCCN(CCOc3ccccc3C(F)(F)F)C2)o1 ZINC000450897303 501225420 /nfs/dbraw/zinc/22/54/20/501225420.db2.gz QYEQEQVORQRGFT-LLVKDONJSA-N -1 3 357.332 3.052 20 0 FGADHM COc1cc(-c2noc(-c3cccc(CN4CCCC4=O)c3)n2)ccc1[O-] ZINC000436876369 501225548 /nfs/dbraw/zinc/22/55/48/501225548.db2.gz HZRIPVQMHAVJQO-UHFFFAOYSA-N -1 3 365.389 3.240 20 0 FGADHM O=C(NCc1noc(-c2ccccc2[O-])n1)c1ccc(Br)cc1 ZINC000436883007 501226710 /nfs/dbraw/zinc/22/67/10/501226710.db2.gz YVZREMZDWYVXLK-UHFFFAOYSA-N -1 3 374.194 3.135 20 0 FGADHM COc1cccc(C(=O)N[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2)c1[O-] ZINC000436884708 501226946 /nfs/dbraw/zinc/22/69/46/501226946.db2.gz GXURJPHIIJTXKJ-LLVKDONJSA-N -1 3 364.804 3.202 20 0 FGADHM COc1ccc(CN2CCC(CN=c3[n-]c(C4CCC4)no3)CC2)cc1 ZINC000450292615 501227508 /nfs/dbraw/zinc/22/75/08/501227508.db2.gz ZWBPVKHLBKEGHM-UHFFFAOYSA-N -1 3 356.470 3.092 20 0 FGADHM Cc1cccc(C(=O)N[C@@H]2CCCN([C@@H](C)c3ccccc3F)C2=O)c1[O-] ZINC000436900615 501229705 /nfs/dbraw/zinc/22/97/05/501229705.db2.gz DECYRPLGFVLYFO-KBXCAEBGSA-N -1 3 370.424 3.322 20 0 FGADHM COc1cccc(C(=O)NCc2c(Cl)cccc2-n2ccnc2)c1[O-] ZINC000436906485 501230610 /nfs/dbraw/zinc/23/06/10/501230610.db2.gz DOPWFAONXQAURW-UHFFFAOYSA-N -1 3 357.797 3.170 20 0 FGADHM COc1cccc(-c2nc(-c3cccc(-n4c(C)c[nH]c4=O)c3)no2)c1[O-] ZINC000436919920 501232718 /nfs/dbraw/zinc/23/27/18/501232718.db2.gz NFFKQFWOLNVPEY-UHFFFAOYSA-N -1 3 364.361 3.318 20 0 FGADHM COC(=O)[C@@H]1C[C@H](C)CCN1C(=O)CCc1ccc2ccccc2c1[O-] ZINC000451005475 501238404 /nfs/dbraw/zinc/23/84/04/501238404.db2.gz XLIBOVVXXQDWMI-KDOFPFPSSA-N -1 3 355.434 3.278 20 0 FGADHM Cc1csc(S(=O)(=O)[N-]CCc2ccc(Br)s2)c1 ZINC000451010626 501238868 /nfs/dbraw/zinc/23/88/68/501238868.db2.gz QORBTKVQNBDFOL-UHFFFAOYSA-N -1 3 366.327 3.402 20 0 FGADHM COc1cc([N-]S(=O)(=O)C[C@H](OC)c2ccccc2)cc(OC)c1C ZINC000451053618 501242269 /nfs/dbraw/zinc/24/22/69/501242269.db2.gz ZLZNBQHJVRNSNN-SFHVURJKSA-N -1 3 365.451 3.142 20 0 FGADHM COc1cc(C)c(Br)cc1S(=O)(=O)[N-][C@H](C)C(C)(F)F ZINC000451072949 501243289 /nfs/dbraw/zinc/24/32/89/501243289.db2.gz PPRRLPMLYMLYKE-MRVPVSSYSA-N -1 3 372.231 3.088 20 0 FGADHM CO[C@H](C)CS(=O)(=O)[N-]c1cc(Cl)cc(C)c1Br ZINC000451086454 501244616 /nfs/dbraw/zinc/24/46/16/501244616.db2.gz MMMMNZBJAMPQEC-MRVPVSSYSA-N -1 3 356.669 3.188 20 0 FGADHM CC[C@@H]([N-]S(=O)(=O)c1sccc1Cl)c1nnc2n1CCCCC2 ZINC000451175438 501250132 /nfs/dbraw/zinc/25/01/32/501250132.db2.gz KKKKUMCHLUQKRV-LLVKDONJSA-N -1 3 374.919 3.149 20 0 FGADHM CCOC(=O)c1nc(C2CCN(C(=O)C3=C(C)CC(C)(C)CC3)CC2)n[n-]1 ZINC000451220906 501253205 /nfs/dbraw/zinc/25/32/05/501253205.db2.gz SIAIWYXDMVQVPE-UHFFFAOYSA-N -1 3 374.485 3.214 20 0 FGADHM CCOC(=O)c1nnc(C2CCN(C(=O)C3=C(C)CC(C)(C)CC3)CC2)[n-]1 ZINC000451220906 501253206 /nfs/dbraw/zinc/25/32/06/501253206.db2.gz SIAIWYXDMVQVPE-UHFFFAOYSA-N -1 3 374.485 3.214 20 0 FGADHM Cc1csc(S(=O)(=O)[N-]C[C@@H]2CCCN(C)[C@@H]2c2cccs2)c1 ZINC000451241173 501254385 /nfs/dbraw/zinc/25/43/85/501254385.db2.gz KGONPMDTJFPSII-BBRMVZONSA-N -1 3 370.565 3.479 20 0 FGADHM Cc1csc(S(=O)(=O)[N-][C@H](C)c2noc(Cc3ccccc3)n2)c1 ZINC000451293152 501257994 /nfs/dbraw/zinc/25/79/94/501257994.db2.gz VIALJULMWMIISY-GFCCVEGCSA-N -1 3 363.464 3.070 20 0 FGADHM Cc1csc(S(=O)(=O)[N-]C[C@@H](c2ccccc2)C(C)(C)CO)c1 ZINC000451337759 501269384 /nfs/dbraw/zinc/26/93/84/501269384.db2.gz GRVOVQWJYJKBFK-HNNXBMFYSA-N -1 3 353.509 3.137 20 0 FGADHM CN1CC=C(C[N-]S(=O)(=O)c2sc3ccccc3c2Cl)CC1 ZINC000451366989 501276415 /nfs/dbraw/zinc/27/64/15/501276415.db2.gz KJQXMKCLNDLZSU-UHFFFAOYSA-N -1 3 356.900 3.095 20 0 FGADHM CC(C)(C)Oc1ccc(C[N-]S(=O)(=O)c2sccc2Cl)cn1 ZINC000451385558 501281043 /nfs/dbraw/zinc/28/10/43/501281043.db2.gz SPXJLRDQUQDPHC-UHFFFAOYSA-N -1 3 360.888 3.452 20 0 FGADHM Cc1csc(S(=O)(=O)[N-]CC2CCN(c3ccccc3)CC2)c1 ZINC000451483662 501303181 /nfs/dbraw/zinc/30/31/81/501303181.db2.gz YKPPIRRJTPHWGJ-UHFFFAOYSA-N -1 3 350.509 3.251 20 0 FGADHM Cc1csc(S(=O)(=O)[N-][C@H](CN(C)C)c2ccc(Cl)cc2)c1 ZINC000451515496 501310217 /nfs/dbraw/zinc/31/02/17/501310217.db2.gz GIVVMVSJZDJFSA-CQSZACIVSA-N -1 3 358.916 3.291 20 0 FGADHM CC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c2ccccc21)[C@H](O)C(F)F ZINC000451712277 501358345 /nfs/dbraw/zinc/35/83/45/501358345.db2.gz NKQABGLZUAKYGA-OCCSQVGLSA-N -1 3 363.813 3.176 20 0 FGADHM CC(C)[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2ccccc2C(F)(F)F)CCO1 ZINC000451820831 501379553 /nfs/dbraw/zinc/37/95/53/501379553.db2.gz FJABWVFRKFZGJA-JSGCOSHPSA-N -1 3 365.417 3.435 20 0 FGADHM Cc1ccc(NC(=O)C2(C(=O)OC(C)(C)C)CCSCC2)c([O-])c1 ZINC000598965912 506249914 /nfs/dbraw/zinc/24/99/14/506249914.db2.gz XPPBPRHWOGNKFR-UHFFFAOYSA-N -1 3 351.468 3.494 20 0 FGADHM CC(C)[C@H]1N(C(=O)c2ccc([N-]S(C)(=O)=O)cc2)CC12CCCCC2 ZINC000458205550 501393106 /nfs/dbraw/zinc/39/31/06/501393106.db2.gz ZKGNRXJBFKBRAI-QGZVFWFLSA-N -1 3 364.511 3.489 20 0 FGADHM CCCc1ncc(C[N-]S(=O)(=O)c2ccc(C)c(C(F)(F)F)c2)o1 ZINC000451956313 501407752 /nfs/dbraw/zinc/40/77/52/501407752.db2.gz HGWCONIHCMRUFV-UHFFFAOYSA-N -1 3 362.373 3.433 20 0 FGADHM CCc1ncc(C[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)o1 ZINC000451962661 501409550 /nfs/dbraw/zinc/40/95/50/501409550.db2.gz XJJHCBWKUCJVHZ-UHFFFAOYSA-N -1 3 368.764 3.388 20 0 FGADHM CC[C@@H](O)[C@H](CC)[N-]S(=O)(=O)c1ccc(-c2csc(C)n2)s1 ZINC000451981172 501412696 /nfs/dbraw/zinc/41/26/96/501412696.db2.gz SCDBJCNCEMENHA-CMPLNLGQSA-N -1 3 360.526 3.008 20 0 FGADHM O=C(Cc1ccc([O-])cc1Cl)Nc1ccc(F)cc1N1CCOCC1 ZINC000458314844 501418354 /nfs/dbraw/zinc/41/83/54/501418354.db2.gz CTPDRWILRWWJLL-UHFFFAOYSA-N -1 3 364.804 3.203 20 0 FGADHM CCN(CC)c1nc2sc(C(=O)[N-]c3noc(C)c3C)cc2s1 ZINC000452163262 501448799 /nfs/dbraw/zinc/44/87/99/501448799.db2.gz NBWOUSQQYIWCAC-UHFFFAOYSA-N -1 3 350.469 3.483 20 0 FGADHM CCc1cc(C(=O)N[C@H](C)Cc2c(OC)cc(OC)cc2OC)ccc1[O-] ZINC000456104939 501455928 /nfs/dbraw/zinc/45/59/28/501455928.db2.gz 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501525178 /nfs/dbraw/zinc/52/51/78/501525178.db2.gz FPXPOJDCWKEYLI-UHFFFAOYSA-N -1 3 358.442 3.484 20 0 FGADHM C[C@H](O)CN(CC(F)F)C(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000456594316 501554410 /nfs/dbraw/zinc/55/44/10/501554410.db2.gz RFCNJHPWYMILSF-ZDUSSCGKSA-N -1 3 365.376 3.059 20 0 FGADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@H](C1CC1)N1CCCC1 ZINC000452754437 501557079 /nfs/dbraw/zinc/55/70/79/501557079.db2.gz LAXJAXAXFGBPEF-HNNXBMFYSA-N -1 3 353.260 3.276 20 0 FGADHM Cc1cc(Cl)c(NC(=O)[C@H](C)[N-]S(=O)(=O)c2cccs2)cc1C ZINC000452863707 501576729 /nfs/dbraw/zinc/57/67/29/501576729.db2.gz VWRXCQZTIDVSDM-NSHDSACASA-N -1 3 372.899 3.324 20 0 FGADHM C[C@H](NC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)[C@@H]1CCC[C@H](C)C1 ZINC000456992410 501631356 /nfs/dbraw/zinc/63/13/56/501631356.db2.gz GEXWMUBQBWLGSR-RWMBFGLXSA-N -1 3 356.463 3.142 20 0 FGADHM O=c1cc(CN(CC(F)(F)F)[C@H]2CCOC2)nc(-c2ccccc2)[n-]1 ZINC000459387652 501644436 /nfs/dbraw/zinc/64/44/36/501644436.db2.gz JOTSMNVUYPMCJI-AWEZNQCLSA-N -1 3 353.344 3.002 20 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Cc1cccc2c(=O)c(C(=O)N(C)[C@@H](C)[C@@H]3Cc4ccccc4O3)c[n-]c12 ZINC000483282018 502337784 /nfs/dbraw/zinc/33/77/84/502337784.db2.gz OVNJRKSXFRRHBK-LIRRHRJNSA-N -1 3 362.429 3.301 20 0 FGADHM COc1ccc(CCC[N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)cc1 ZINC000462189054 502341435 /nfs/dbraw/zinc/34/14/35/502341435.db2.gz ORJSHPBTEWDDHX-UHFFFAOYSA-N -1 3 359.369 3.024 20 0 FGADHM Cc1ccc(CNC(=O)NCC(=O)N2CC[C@H](C)c3cccc([O-])c32)cc1 ZINC000469221991 502341400 /nfs/dbraw/zinc/34/14/00/502341400.db2.gz CLJIIELPBNPWPC-HNNXBMFYSA-N -1 3 367.449 3.040 20 0 FGADHM Cc1ccccc1C1(C(=O)NCc2nnc(C(F)(F)F)[n-]2)CCCC1 ZINC000487097653 502357873 /nfs/dbraw/zinc/35/78/73/502357873.db2.gz HHOSOTJXZANYCC-UHFFFAOYSA-N -1 3 352.360 3.260 20 0 FGADHM Cc1ccccc1C1(C(=O)NCc2n[n-]c(C(F)(F)F)n2)CCCC1 ZINC000487097653 502357879 /nfs/dbraw/zinc/35/78/79/502357879.db2.gz HHOSOTJXZANYCC-UHFFFAOYSA-N -1 3 352.360 3.260 20 0 FGADHM Cc1ccccc1C1(C(=O)NCc2nc(C(F)(F)F)n[n-]2)CCCC1 ZINC000487097653 502357884 /nfs/dbraw/zinc/35/78/84/502357884.db2.gz HHOSOTJXZANYCC-UHFFFAOYSA-N -1 3 352.360 3.260 20 0 FGADHM CCn1nc(C(=O)N2CC[C@@H](C)c3cccc([O-])c32)c(=O)c2ccccc21 ZINC000469283121 502361157 /nfs/dbraw/zinc/36/11/57/502361157.db2.gz NNWHPKIQJZJRQR-CYBMUJFWSA-N -1 3 363.417 3.276 20 0 FGADHM COc1ccc(-c2nnc(NCc3cnc(C)[n-]c3=O)c3ccccc32)cc1 ZINC000472492901 502368345 /nfs/dbraw/zinc/36/83/45/502368345.db2.gz CPCHGABJIJVRAV-UHFFFAOYSA-N -1 3 373.416 3.143 20 0 FGADHM CCO[C@@H](C(=O)Nc1nnc(-c2c(F)cccc2F)[n-]1)c1ccccc1 ZINC000479769077 502372980 /nfs/dbraw/zinc/37/29/80/502372980.db2.gz QKMUAVUNGMPHQR-OAHLLOKOSA-N -1 3 358.348 3.466 20 0 FGADHM CCO[C@@H](C(=O)Nc1nc(-c2c(F)cccc2F)n[n-]1)c1ccccc1 ZINC000479769077 502372986 /nfs/dbraw/zinc/37/29/86/502372986.db2.gz QKMUAVUNGMPHQR-OAHLLOKOSA-N -1 3 358.348 3.466 20 0 FGADHM CCO[C@@H](C(=O)Nc1n[n-]c(-c2c(F)cccc2F)n1)c1ccccc1 ZINC000479769077 502372989 /nfs/dbraw/zinc/37/29/89/502372989.db2.gz QKMUAVUNGMPHQR-OAHLLOKOSA-N -1 3 358.348 3.466 20 0 FGADHM CCCCN1CCCC[C@@H]1C[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000462270994 502374600 /nfs/dbraw/zinc/37/46/00/502374600.db2.gz PERUYMRVRVPDKL-GFCCVEGCSA-N -1 3 364.433 3.037 20 0 FGADHM CCc1ccc([C@H](COC)[N-]S(=O)(=O)c2cccc3cc(C)cnc32)o1 ZINC000462311946 502387956 /nfs/dbraw/zinc/38/79/56/502387956.db2.gz JLLNYYPOKKFHRN-INIZCTEOSA-N -1 3 374.462 3.365 20 0 FGADHM CCc1ccc([C@H](COC)[N-]S(=O)(=O)c2ccc(C)c3ncccc23)o1 ZINC000462321485 502392261 /nfs/dbraw/zinc/39/22/61/502392261.db2.gz VHVUKAFOQDJNMO-INIZCTEOSA-N -1 3 374.462 3.365 20 0 FGADHM CN1CCC[C@@H](C[N-]S(=O)(=O)c2ccccc2F)[C@@H]1c1cccs1 ZINC000462325252 502393002 /nfs/dbraw/zinc/39/30/02/502393002.db2.gz MYPSQWIXDOPIKM-SUMWQHHRSA-N -1 3 368.499 3.249 20 0 FGADHM Cc1cc(C)c2[n-]cc(C(=O)N3CC[C@H](C(C)(C)C)[C@H](O)C3)c(=O)c2c1 ZINC000483486018 502406620 /nfs/dbraw/zinc/40/66/20/502406620.db2.gz AKQAHMPEIVWFKW-DLBZAZTESA-N -1 3 356.466 3.014 20 0 FGADHM CC[C@@H]1CN(C(=O)CCCc2ccc([O-])c(F)c2)[C@@H](CC)CN1C(C)=O ZINC000469423509 502411727 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C[C@@H](c1cccc(Cl)c1)N(C)C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000483564335 502433213 /nfs/dbraw/zinc/43/32/13/502433213.db2.gz RYBNNDMLPQBFOX-QMMMGPOBSA-N -1 3 361.755 3.380 20 0 FGADHM C[C@@H](c1cccc(Cl)c1)N(C)C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000483564335 502433216 /nfs/dbraw/zinc/43/32/16/502433216.db2.gz RYBNNDMLPQBFOX-QMMMGPOBSA-N -1 3 361.755 3.380 20 0 FGADHM C[C@@H](c1cccc(Cl)c1)N(C)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000483564335 502433219 /nfs/dbraw/zinc/43/32/19/502433219.db2.gz RYBNNDMLPQBFOX-QMMMGPOBSA-N -1 3 361.755 3.380 20 0 FGADHM O=S(=O)([N-]Cc1ccccc1N1CCCCC1)c1cc(F)cc(F)c1 ZINC000479973665 502434960 /nfs/dbraw/zinc/43/49/60/502434960.db2.gz ZPWVDHOPZNRABJ-UHFFFAOYSA-N -1 3 366.433 3.434 20 0 FGADHM COc1cccc(-c2nsc(NC([O-])=Cc3ccc4c(c3)CCC4)n2)c1 ZINC000476285228 502444058 /nfs/dbraw/zinc/44/40/58/502444058.db2.gz DKCWBAXMTDJYGK-UHFFFAOYSA-N -1 3 365.458 3.306 20 0 FGADHM CCOC(=O)c1ccc(NC(=O)[C@@H]2CCN(c3ccccc3)[C@@H]2C)c([O-])c1 ZINC000476317659 502455279 /nfs/dbraw/zinc/45/52/79/502455279.db2.gz YQHZQUOROVDRSK-RHSMWYFYSA-N -1 3 368.433 3.422 20 0 FGADHM Cc1cccc(F)c1S(=O)(=O)[N-]Cc1cc(N(C)C)nc2ccccc12 ZINC000476323908 502456544 /nfs/dbraw/zinc/45/65/44/502456544.db2.gz CUPOACLVDFSHGH-UHFFFAOYSA-N -1 3 373.453 3.227 20 0 FGADHM COc1cc(F)c(S(=O)(=O)[N-][C@H]2C[C@@H]2C2CCCCC2)cc1OC ZINC000462499869 502466590 /nfs/dbraw/zinc/46/65/90/502466590.db2.gz IRVUOOMBWHSYSA-OCCSQVGLSA-N -1 3 357.447 3.090 20 0 FGADHM O=C(CCC1CCC1)Nc1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1F ZINC000487583427 502484613 /nfs/dbraw/zinc/48/46/13/502484613.db2.gz LRTYOXLDTBMUCC-UHFFFAOYSA-N -1 3 374.865 3.439 20 0 FGADHM O=C([N-]c1c(F)cccc1Oc1ccccc1)c1cn([C@H]2CCOC2)nn1 ZINC000480166507 502488511 /nfs/dbraw/zinc/48/85/11/502488511.db2.gz GZNYFQVHKMSGEV-ZDUSSCGKSA-N -1 3 368.368 3.423 20 0 FGADHM CCCc1ccc(-c2cc(=NC(=O)c3cn(C(C)(C)C)nn3)[nH][n-]2)cc1 ZINC000483835670 502503379 /nfs/dbraw/zinc/50/33/79/502503379.db2.gz NERAUPYNMRASHS-UHFFFAOYSA-N -1 3 352.442 3.050 20 0 FGADHM CCOc1nc2ccc(C(=O)Nc3ccc(O[C@H]4CCOC4)cc3)cc2[n-]1 ZINC000469705039 502509685 /nfs/dbraw/zinc/50/96/85/502509685.db2.gz ZEFOMTHUCNTGGV-INIZCTEOSA-N -1 3 367.405 3.382 20 0 FGADHM CCOc1nc2cc(C(=O)Nc3ccc(O[C@H]4CCOC4)cc3)ccc2[n-]1 ZINC000469705039 502509687 /nfs/dbraw/zinc/50/96/87/502509687.db2.gz ZEFOMTHUCNTGGV-INIZCTEOSA-N -1 3 367.405 3.382 20 0 FGADHM COC(=O)[C@H]([N-]C(=O)c1c(F)c(F)cc(F)c1F)c1ccc(F)c(C)c1 ZINC000466282728 502525172 /nfs/dbraw/zinc/52/51/72/502525172.db2.gz HWJDASZHKCOJPU-OAHLLOKOSA-N -1 3 373.277 3.335 20 0 FGADHM O=C1NCCN(Cc2cc([O-])cc(F)c2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000473144047 502528306 /nfs/dbraw/zinc/52/83/06/502528306.db2.gz WKOKBAGKVXEXIS-MRXNPFEDSA-N -1 3 368.330 3.223 20 0 FGADHM COc1cc(C[N-]S(=O)(=O)c2cccc(F)c2F)c2ccccc2n1 ZINC000462717401 502547475 /nfs/dbraw/zinc/54/74/75/502547475.db2.gz WQZHPQFXZCNALJ-UHFFFAOYSA-N -1 3 364.373 3.000 20 0 FGADHM COc1cccc(O[C@@H](C)C[N-]S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000462725003 502550692 /nfs/dbraw/zinc/55/06/92/502550692.db2.gz YTOOSLICPARPPZ-JTQLQIEISA-N -1 3 361.872 3.156 20 0 FGADHM Cc1ccc(C)c(CN(C)C(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)c1 ZINC000469843525 502566222 /nfs/dbraw/zinc/56/62/22/502566222.db2.gz USRJCGSKWXQOBP-UHFFFAOYSA-N -1 3 364.442 3.086 20 0 FGADHM Cc1cc(C)cc(-c2cc(=NC(=O)c3cc4nccnc4cc3F)[nH][n-]2)c1 ZINC000473400812 502585909 /nfs/dbraw/zinc/58/59/09/502585909.db2.gz HDBKZCFICAHKND-UHFFFAOYSA-N -1 3 361.380 3.450 20 0 FGADHM CCCOc1ccc(C(=O)Nc2ncccc2[O-])c(OCCCOC)c1 ZINC000480581673 502610361 /nfs/dbraw/zinc/61/03/61/502610361.db2.gz STRYAPIVWYHVAF-UHFFFAOYSA-N -1 3 360.410 3.244 20 0 FGADHM COCCC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1sccc1OC ZINC000480631369 502628730 /nfs/dbraw/zinc/62/87/30/502628730.db2.gz OHWFKVJRNWNKEH-HNNXBMFYSA-N -1 3 369.508 3.073 20 0 FGADHM O=C(c1cc2c(ccc(Cl)c2Cl)[nH]1)N1CCc2nc[n-]c(=O)c2C1 ZINC000476960512 502634216 /nfs/dbraw/zinc/63/42/16/502634216.db2.gz DKVSOKIMDJCSRR-UHFFFAOYSA-N -1 3 363.204 3.169 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)c3c(Cl)cncc3Cl)[n-]c21 ZINC000484414656 502640252 /nfs/dbraw/zinc/64/02/52/502640252.db2.gz HTMKASCUBVIVSK-UHFFFAOYSA-N -1 3 365.176 3.304 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3c(Cl)cncc3Cl)nc21 ZINC000484414656 502640255 /nfs/dbraw/zinc/64/02/55/502640255.db2.gz HTMKASCUBVIVSK-UHFFFAOYSA-N -1 3 365.176 3.304 20 0 FGADHM COc1ccc(S(=O)(=O)[N-][C@@H](C)c2ccc3ncsc3c2)c(F)c1 ZINC000480715232 502651767 /nfs/dbraw/zinc/65/17/67/502651767.db2.gz SBTULTZCUBLCOA-JTQLQIEISA-N -1 3 366.439 3.484 20 0 FGADHM O=C(N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1)c1csc(=O)[n-]1 ZINC000473616121 502655641 /nfs/dbraw/zinc/65/56/41/502655641.db2.gz UAAHEHCBEAQSRX-OIBJUYFYSA-N -1 3 357.204 3.036 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)c1ccc(-c2n[nH]c(C3CC3)n2)cc1 ZINC000480736357 502656822 /nfs/dbraw/zinc/65/68/22/502656822.db2.gz MUFMSZWKLOTPFW-UHFFFAOYSA-N -1 3 352.369 3.124 20 0 FGADHM COc1ccc(S(=O)(=O)[N-][C@@H](C)[C@H](OC)c2ccc(F)cc2)c(F)c1 ZINC000480741328 502658776 /nfs/dbraw/zinc/65/87/76/502658776.db2.gz YHNWIDLTPLEFMG-GTNSWQLSSA-N -1 3 371.405 3.028 20 0 FGADHM O=C(COc1ccc(Oc2ccccc2)cc1)NCc1ncccc1[O-] ZINC000473633220 502661575 /nfs/dbraw/zinc/66/15/75/502661575.db2.gz GZXOJSHBPWQQNW-UHFFFAOYSA-N -1 3 350.374 3.275 20 0 FGADHM O=C(NCc1ncccc1[O-])c1ccc(Sc2ccccc2Cl)nn1 ZINC000473632622 502661666 /nfs/dbraw/zinc/66/16/66/502661666.db2.gz BXDFIKDULZTHDD-UHFFFAOYSA-N -1 3 372.837 3.312 20 0 FGADHM O=C(NCc1ncccc1[O-])c1cccc2[nH]c(-c3cccs3)nc21 ZINC000473635631 502662943 /nfs/dbraw/zinc/66/29/43/502662943.db2.gz BYUBHBWFOAOXIM-UHFFFAOYSA-N -1 3 350.403 3.322 20 0 FGADHM O=S(=O)([N-]CCN1CC=CCC1)c1c(Cl)ccc2ccccc21 ZINC000480780749 502668813 /nfs/dbraw/zinc/66/88/13/502668813.db2.gz RVILGKXXSDVSND-UHFFFAOYSA-N -1 3 350.871 3.033 20 0 FGADHM Cc1cnc([C@H](C)Sc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)cn1 ZINC000488256051 502671098 /nfs/dbraw/zinc/67/10/98/502671098.db2.gz PFCHTOOVHNTLDW-LBPRGKRZSA-N -1 3 364.434 3.473 20 0 FGADHM 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Cc1ccc(F)cc1-c1nnc([N-]C(=O)c2ccnc3c2ncn3C)s1 ZINC000509434707 502902432 /nfs/dbraw/zinc/90/24/32/502902432.db2.gz UFCNGRRWRJISQC-UHFFFAOYSA-N -1 3 368.397 3.187 20 0 FGADHM CC[C@H](C)c1nc([C@H](C)NC(=O)c2ccc(Br)c([O-])c2)n[nH]1 ZINC000489222001 502904796 /nfs/dbraw/zinc/90/47/96/502904796.db2.gz SHEGVVNDLHGCEE-IUCAKERBSA-N -1 3 367.247 3.277 20 0 FGADHM C[C@@]1(CO)CCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000509468329 502910815 /nfs/dbraw/zinc/91/08/15/502910815.db2.gz FDYDAJSFVABDTJ-STQMWFEESA-N -1 3 371.808 3.188 20 0 FGADHM C[C@H]([N-]S(=O)(=O)Cc1c(F)cccc1F)[C@@H]1Oc2ccccc2[C@H]1C ZINC000501014830 502912584 /nfs/dbraw/zinc/91/25/84/502912584.db2.gz RPHGUKRYLSAVPB-FTLABTOESA-N -1 3 367.417 3.337 20 0 FGADHM COC(=O)[C@H](CC(C)C)Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000505487237 502915085 /nfs/dbraw/zinc/91/50/85/502915085.db2.gz NQNYBOANLYRZJY-AWEZNQCLSA-N -1 3 372.450 3.201 20 0 FGADHM COc1cccc(C[C@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2F)c1 ZINC000497354933 502937985 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370.787 3.154 20 0 FGADHM O=C(CCCCC(=O)c1ccc(F)cc1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000494893670 503631219 /nfs/dbraw/zinc/63/12/19/503631219.db2.gz ODWTYAAPRNUFAI-UHFFFAOYSA-N -1 3 367.384 3.388 20 0 FGADHM O=C(CCCCC(=O)c1ccc(F)cc1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000494893670 503631221 /nfs/dbraw/zinc/63/12/21/503631221.db2.gz ODWTYAAPRNUFAI-UHFFFAOYSA-N -1 3 367.384 3.388 20 0 FGADHM C[C@@H](C(=O)Nc1nnc(-c2cc3ccccc3o2)[n-]1)N(C)CC(F)(F)F ZINC000509063023 503633250 /nfs/dbraw/zinc/63/32/50/503633250.db2.gz BPQOBKBBUVCCJG-VIFPVBQESA-N -1 3 367.331 3.039 20 0 FGADHM C[C@@H](C(=O)Nc1nc(-c2cc3ccccc3o2)n[n-]1)N(C)CC(F)(F)F ZINC000509063023 503633253 /nfs/dbraw/zinc/63/32/53/503633253.db2.gz BPQOBKBBUVCCJG-VIFPVBQESA-N -1 3 367.331 3.039 20 0 FGADHM C[C@@H](C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1)N(C)CC(F)(F)F ZINC000509063023 503633254 /nfs/dbraw/zinc/63/32/54/503633254.db2.gz BPQOBKBBUVCCJG-VIFPVBQESA-N -1 3 367.331 3.039 20 0 FGADHM CCN=c1[n-]c(C(=O)N2CCC(CCc3ccc(OC)cc3)CC2)cs1 ZINC000494923566 503636438 /nfs/dbraw/zinc/63/64/38/503636438.db2.gz LWVSISRFZBUUEO-UHFFFAOYSA-N -1 3 373.522 3.490 20 0 FGADHM Cc1ccc([C@@H](NC(=O)CNC(=O)c2cccc([O-])c2)c2ccccc2)cc1 ZINC000494925780 503637203 /nfs/dbraw/zinc/63/72/03/503637203.db2.gz RVLPJVUGBSUMRM-QFIPXVFZSA-N -1 3 374.440 3.336 20 0 FGADHM O=S(=O)([N-]c1cc(F)ccc1Br)c1cccc2c1OCO2 ZINC000509089117 503638387 /nfs/dbraw/zinc/63/83/87/503638387.db2.gz HOERHVDLOOKMSY-UHFFFAOYSA-N -1 3 374.187 3.118 20 0 FGADHM O=C(Cc1ccc(Br)cc1[O-])NC[C@@H](CO)CC1CCCC1 ZINC000500508506 503639287 /nfs/dbraw/zinc/63/92/87/503639287.db2.gz ONGGSPUUIWTTSP-ZDUSSCGKSA-N -1 3 370.287 3.002 20 0 FGADHM Cn1ccc(S(=O)(=O)[N-][C@H]2CCC[C@H]2c2ccccc2C(F)(F)F)n1 ZINC000517027531 503647141 /nfs/dbraw/zinc/64/71/41/503647141.db2.gz LGGGASLAAONJQB-JSGCOSHPSA-N -1 3 373.400 3.054 20 0 FGADHM CCCCC1CCC(NC(=O)c2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)CC1 ZINC000495061091 503654340 /nfs/dbraw/zinc/65/43/40/503654340.db2.gz BRAXSYQJFCXVEE-KDDGLUCOSA-N -1 3 371.481 3.220 20 0 FGADHM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]C(C)(C)C1CC1 ZINC000527041301 503654927 /nfs/dbraw/zinc/65/49/27/503654927.db2.gz HNAAHCZJXCYAFA-NSHDSACASA-N -1 3 361.891 3.221 20 0 FGADHM CC(C)[C@H](Sc1n[n-]c(CO)n1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000517068708 503655830 /nfs/dbraw/zinc/65/58/30/503655830.db2.gz RWEWKEZIFQVBPU-LBPRGKRZSA-N -1 3 374.388 3.071 20 0 FGADHM O=C(NCc1cn2ccsc2n1)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000495111057 503671253 /nfs/dbraw/zinc/67/12/53/503671253.db2.gz KFUJSHJNTIWGQW-UHFFFAOYSA-N -1 3 363.855 3.431 20 0 FGADHM Cc1nc(-c2ccc(CNC(=O)c3cccc4nn[n-]c43)s2)cs1 ZINC000527107912 503681128 /nfs/dbraw/zinc/68/11/28/503681128.db2.gz QJXJWZXCLCCGIA-UHFFFAOYSA-N -1 3 355.448 3.381 20 0 FGADHM Cc1nc(-c2ccc(CNC(=O)c3cccc4[n-]nnc43)s2)cs1 ZINC000527107912 503681136 /nfs/dbraw/zinc/68/11/36/503681136.db2.gz QJXJWZXCLCCGIA-UHFFFAOYSA-N -1 3 355.448 3.381 20 0 FGADHM Cc1nc(-c2ccc(CNC(=O)c3cccc4n[n-]nc43)s2)cs1 ZINC000527107912 503681140 /nfs/dbraw/zinc/68/11/40/503681140.db2.gz QJXJWZXCLCCGIA-UHFFFAOYSA-N -1 3 355.448 3.381 20 0 FGADHM CCc1ccc([O-])c(C(=O)N(CC)[C@@H]2CCN(c3ccccc3)C2=O)c1 ZINC000536690528 503682813 /nfs/dbraw/zinc/68/28/13/503682813.db2.gz WUOUJEPGTSPAKD-GOSISDBHSA-N -1 3 352.434 3.222 20 0 FGADHM Cc1ccccc1O[C@H]1CCCC[C@H]1NC(=O)c1cccc2nn[n-]c21 ZINC000527111571 503684032 /nfs/dbraw/zinc/68/40/32/503684032.db2.gz BIXWRFZTZJZWTK-QAPCUYQASA-N -1 3 350.422 3.386 20 0 FGADHM Cc1ccccc1O[C@H]1CCCC[C@H]1NC(=O)c1cccc2[n-]nnc21 ZINC000527111571 503684037 /nfs/dbraw/zinc/68/40/37/503684037.db2.gz BIXWRFZTZJZWTK-QAPCUYQASA-N -1 3 350.422 3.386 20 0 FGADHM Cc1ccccc1O[C@H]1CCCC[C@H]1NC(=O)c1cccc2n[n-]nc21 ZINC000527111571 503684040 /nfs/dbraw/zinc/68/40/40/503684040.db2.gz BIXWRFZTZJZWTK-QAPCUYQASA-N -1 3 350.422 3.386 20 0 FGADHM C[C@@]1(c2ccc(-c3noc(-c4ccccc4Cl)n3)cc2)NC(=O)[N-]C1=O ZINC000546242480 503685012 /nfs/dbraw/zinc/68/50/12/503685012.db2.gz GWGQMHNPPRSESY-SFHVURJKSA-N -1 3 368.780 3.112 20 0 FGADHM COC(=O)[C@@](C)(NC(=O)c1cc(OCc2ccccc2)ccc1[O-])C1CC1 ZINC000536707804 503689258 /nfs/dbraw/zinc/68/92/58/503689258.db2.gz XKRQEPNEJOFILE-NRFANRHFSA-N -1 3 369.417 3.043 20 0 FGADHM COc1ccc(C(C)(C)C(=O)N=c2cc(-c3ccccc3)[n-][nH]2)cc1OC ZINC000495176533 503691272 /nfs/dbraw/zinc/69/12/72/503691272.db2.gz SLUOUBCLXBWBNV-UHFFFAOYSA-N -1 3 365.433 3.432 20 0 FGADHM COc1ccc(CN2CCC[C@H]2C(=O)OC(C)C)c(Br)c1[O-] ZINC000546268455 503693469 /nfs/dbraw/zinc/69/34/69/503693469.db2.gz BKQCIJQQWPOLPA-LBPRGKRZSA-N -1 3 372.259 3.079 20 0 FGADHM CCc1cccc(-c2nc(-c3ccc(NC(=O)COC)cc3)no2)c1[O-] ZINC000546305596 503705923 /nfs/dbraw/zinc/70/59/23/503705923.db2.gz UAPFXUNFLYMLBV-UHFFFAOYSA-N -1 3 353.378 3.257 20 0 FGADHM Cc1ncc(CNC(=O)N[C@H](CC(F)(F)F)c2ccc(F)cc2)c(=O)[n-]1 ZINC000543336978 503728588 /nfs/dbraw/zinc/72/85/88/503728588.db2.gz YULUPQXBLXZQGS-CYBMUJFWSA-N -1 3 372.322 3.123 20 0 FGADHM COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)[N-][C@H]1CCC[C@H](C)C1 ZINC000517425075 503742082 /nfs/dbraw/zinc/74/20/82/503742082.db2.gz HOMBIIRVVVEAHT-JQWIXIFHSA-N -1 3 374.890 3.164 20 0 FGADHM C[C@H](Oc1ccccc1)c1noc(-c2ccc([N-]S(C)(=O)=O)cc2)n1 ZINC000546435428 503748472 /nfs/dbraw/zinc/74/84/72/503748472.db2.gz VVBLSWPLRXUJNH-LBPRGKRZSA-N -1 3 359.407 3.248 20 0 FGADHM O=S(=O)([N-]C[C@H]1CCC[C@H](C(F)(F)F)C1)c1cncc(Cl)c1 ZINC000533176155 503750362 /nfs/dbraw/zinc/75/03/62/503750362.db2.gz PXMJNFCKNMFFER-UWVGGRQHSA-N -1 3 356.797 3.382 20 0 FGADHM Cc1ncc(S(=O)(=O)[N-]Cc2ccc(OC3CCCCC3)nc2)s1 ZINC000533179679 503751220 /nfs/dbraw/zinc/75/12/20/503751220.db2.gz AHIDOXQLPAARGZ-UHFFFAOYSA-N -1 3 367.496 3.037 20 0 FGADHM Cc1c(C(=O)Nc2nc(C)ccc2[O-])nnn1-c1ccc(OC(C)C)cc1 ZINC000543392703 503751522 /nfs/dbraw/zinc/75/15/22/503751522.db2.gz WBVJHQYHZIHNGC-UHFFFAOYSA-N -1 3 367.409 3.024 20 0 FGADHM COc1cc(S(=O)(=O)[N-][C@H](c2ccccc2)C(F)(F)F)ccc1F ZINC000527292254 503755657 /nfs/dbraw/zinc/75/56/57/503755657.db2.gz HXUXYDTUBLYNDC-CQSZACIVSA-N -1 3 363.332 3.416 20 0 FGADHM Cc1nnc([C@H](C)[N-]S(=O)(=O)c2ccc3oc4ccccc4c3c2)o1 ZINC000533201120 503758809 /nfs/dbraw/zinc/75/88/09/503758809.db2.gz ZEZTWGWPGKQDDH-JTQLQIEISA-N -1 3 357.391 3.317 20 0 FGADHM CC1(C)[C@H](c2ccc(F)cc2)CCN1C(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000529947486 503769338 /nfs/dbraw/zinc/76/93/38/503769338.db2.gz JYDWALMPQOYHKV-KRWDZBQOSA-N -1 3 366.392 3.118 20 0 FGADHM COCCSc1ccc([C@@H](C)NC(=O)c2cccc3nn[n-]c32)cc1 ZINC000527356593 503776342 /nfs/dbraw/zinc/77/63/42/503776342.db2.gz NVMJPMYMIUMODH-GFCCVEGCSA-N -1 3 356.451 3.187 20 0 FGADHM COCCSc1ccc([C@@H](C)NC(=O)c2cccc3[n-]nnc32)cc1 ZINC000527356593 503776348 /nfs/dbraw/zinc/77/63/48/503776348.db2.gz NVMJPMYMIUMODH-GFCCVEGCSA-N -1 3 356.451 3.187 20 0 FGADHM COCCSc1ccc([C@@H](C)NC(=O)c2cccc3n[n-]nc32)cc1 ZINC000527356593 503776351 /nfs/dbraw/zinc/77/63/51/503776351.db2.gz NVMJPMYMIUMODH-GFCCVEGCSA-N -1 3 356.451 3.187 20 0 FGADHM CC[C@@H](CSC)[N-]S(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000537018986 503778380 /nfs/dbraw/zinc/77/83/80/503778380.db2.gz BLPKBDLNNKCRQM-QMMMGPOBSA-N -1 3 358.312 3.422 20 0 FGADHM O=C(c1ccccc1[O-])N1CCC[C@H]1C(=O)N1CCCC2(CCCC2)C1 ZINC000527363669 503779204 /nfs/dbraw/zinc/77/92/04/503779204.db2.gz QORJFCQCAZTHMM-KRWDZBQOSA-N -1 3 356.466 3.180 20 0 FGADHM O=C(Nc1ccc(Oc2ccc(CO)cc2)cc1)c1cccc2nn[n-]c21 ZINC000527366456 503779242 /nfs/dbraw/zinc/77/92/42/503779242.db2.gz ZESKFBOAUMGSDZ-UHFFFAOYSA-N -1 3 360.373 3.495 20 0 FGADHM O=C(Nc1ccc(Oc2ccc(CO)cc2)cc1)c1cccc2[n-]nnc21 ZINC000527366456 503779244 /nfs/dbraw/zinc/77/92/44/503779244.db2.gz ZESKFBOAUMGSDZ-UHFFFAOYSA-N -1 3 360.373 3.495 20 0 FGADHM O=C(Nc1ccc(Oc2ccc(CO)cc2)cc1)c1cccc2n[n-]nc21 ZINC000527366456 503779248 /nfs/dbraw/zinc/77/92/48/503779248.db2.gz ZESKFBOAUMGSDZ-UHFFFAOYSA-N -1 3 360.373 3.495 20 0 FGADHM C[C@H](C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1ccc(Br)s1 ZINC000527499961 503813100 /nfs/dbraw/zinc/81/31/00/503813100.db2.gz KTPFGRVVAJEKOB-WPRPVWTQSA-N -1 3 370.272 3.249 20 0 FGADHM C[C@H](C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1)c1ccc(Br)s1 ZINC000527499960 503813448 /nfs/dbraw/zinc/81/34/48/503813448.db2.gz KTPFGRVVAJEKOB-WCBMZHEXSA-N -1 3 370.272 3.249 20 0 FGADHM COc1cc(C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)ccc1OC1CCCC1 ZINC000527499647 503813660 /nfs/dbraw/zinc/81/36/60/503813660.db2.gz PEXQVHLMUNFJED-INIZCTEOSA-N -1 3 371.437 3.265 20 0 FGADHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)[C@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000527499065 503813702 /nfs/dbraw/zinc/81/37/02/503813702.db2.gz HLDJGORRMMDFGW-HUBLWGQQSA-N -1 3 365.355 3.444 20 0 FGADHM O=C(Cc1cn2ccsc2n1)Nc1nc(-c2ccc(Cl)cc2)n[n-]1 ZINC000517746343 503824857 /nfs/dbraw/zinc/82/48/57/503824857.db2.gz AKFSVISTPUCFEW-UHFFFAOYSA-N -1 3 358.814 3.016 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3nc4ccc(F)cc4n3C)c[n-]c12 ZINC000546661157 503828775 /nfs/dbraw/zinc/82/87/75/503828775.db2.gz OKHAZJTWKPSIGN-UHFFFAOYSA-N -1 3 368.343 3.254 20 0 FGADHM CCOc1cccc([C@H]2C[C@H]2[N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)c1 ZINC000537181591 503830867 /nfs/dbraw/zinc/83/08/67/503830867.db2.gz FUNXZEWITGMJIU-CZUORRHYSA-N -1 3 371.380 3.337 20 0 FGADHM Cc1cccc([N-]S(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CCC3)c1F ZINC000543652040 503840762 /nfs/dbraw/zinc/84/07/62/503840762.db2.gz NQRUGIALPLKTPW-UHFFFAOYSA-N -1 3 374.437 3.160 20 0 FGADHM CCOC(=O)c1[n-]c(C)nc1NC(=O)[C@H](C)CSCc1ccccc1 ZINC000533441941 503847673 /nfs/dbraw/zinc/84/76/73/503847673.db2.gz NTKYOEDRACVCBW-GFCCVEGCSA-N -1 3 361.467 3.403 20 0 FGADHM CCOC(=O)c1nc(C)[n-]c1NC(=O)[C@H](C)CSCc1ccccc1 ZINC000533441941 503847679 /nfs/dbraw/zinc/84/76/79/503847679.db2.gz NTKYOEDRACVCBW-GFCCVEGCSA-N -1 3 361.467 3.403 20 0 FGADHM Cc1ccc(F)c([N-]C(=O)c2noc3c2COCC3)c1Br ZINC000527613092 503854423 /nfs/dbraw/zinc/85/44/23/503854423.db2.gz ROCVALVVKLUKAD-UHFFFAOYSA-N -1 3 355.163 3.210 20 0 FGADHM CO[C@H](CS(=O)(=O)[N-]c1ccccc1N(C)C)c1ccc(F)cc1 ZINC000530154205 503854518 /nfs/dbraw/zinc/85/45/18/503854518.db2.gz QKSCQQFOZAZUKZ-QGZVFWFLSA-N -1 3 352.431 3.021 20 0 FGADHM COC(=O)[C@@H]1CCCC[C@@]1(C)NCc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000537275925 503865808 /nfs/dbraw/zinc/86/58/08/503865808.db2.gz KRBJKJABUBLDAY-RNODOKPDSA-N -1 3 369.421 3.293 20 0 FGADHM O=c1onc(-c2cccs2)n1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000540730812 503873383 /nfs/dbraw/zinc/87/33/83/503873383.db2.gz UQEDOXIMFSVTQM-UHFFFAOYSA-N -1 3 366.358 3.008 20 0 FGADHM O=C([N-]c1nnc(CC2CCCCC2)s1)c1cnc2nccnc2c1 ZINC000546776322 503875745 /nfs/dbraw/zinc/87/57/45/503875745.db2.gz SQACHBRNMISVEQ-UHFFFAOYSA-N -1 3 354.439 3.251 20 0 FGADHM COCCC(C)(C)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000546782043 503877708 /nfs/dbraw/zinc/87/77/08/503877708.db2.gz IEYRMFUBJAOLCU-UHFFFAOYSA-N -1 3 359.797 3.452 20 0 FGADHM O=C(Nc1ccccc1[O-])c1cccc(F)c1I ZINC000533544423 503883642 /nfs/dbraw/zinc/88/36/42/503883642.db2.gz PXXFLMRVJUZHHR-UHFFFAOYSA-N -1 3 357.122 3.388 20 0 FGADHM CN(Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[n-]1)CC1(O)CCC1 ZINC000546807610 503885568 /nfs/dbraw/zinc/88/55/68/503885568.db2.gz 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ZINC000527772264 503936292 /nfs/dbraw/zinc/93/62/92/503936292.db2.gz KHVFHLPIUIXYKK-UHFFFAOYSA-N -1 3 362.227 3.402 20 0 FGADHM COc1ccc(CN2CCOC[C@H]2CC(C)C)c(Br)c1[O-] ZINC000546963530 503939654 /nfs/dbraw/zinc/93/96/54/503939654.db2.gz QNBQAWFIEAJZNW-CYBMUJFWSA-N -1 3 358.276 3.410 20 0 FGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)[C@@H]1CC[C@H]1c1ccc(F)cc1 ZINC000527794908 503947377 /nfs/dbraw/zinc/94/73/77/503947377.db2.gz ASMMHIBNZNKJPG-LSDHHAIUSA-N -1 3 362.426 3.330 20 0 FGADHM CCn1c(=O)[n-]nc1S[C@@H](C(=O)OC)c1ccccc1C(F)(F)F ZINC000543958766 503951197 /nfs/dbraw/zinc/95/11/97/503951197.db2.gz BQFUZOZFFDUUTE-SNVBAGLBSA-N -1 3 361.345 3.029 20 0 FGADHM COc1ccccc1C1(CNC(=O)c2cccc3nn[n-]c32)CCCC1 ZINC000540963264 503956722 /nfs/dbraw/zinc/95/67/22/503956722.db2.gz HFIXPDRXRGJREX-UHFFFAOYSA-N -1 3 350.422 3.208 20 0 FGADHM COc1ccccc1C1(CNC(=O)c2cccc3[n-]nnc32)CCCC1 ZINC000540963264 503956724 /nfs/dbraw/zinc/95/67/24/503956724.db2.gz HFIXPDRXRGJREX-UHFFFAOYSA-N -1 3 350.422 3.208 20 0 FGADHM COc1ccccc1C1(CNC(=O)c2cccc3n[n-]nc32)CCCC1 ZINC000540963264 503956731 /nfs/dbraw/zinc/95/67/31/503956731.db2.gz HFIXPDRXRGJREX-UHFFFAOYSA-N -1 3 350.422 3.208 20 0 FGADHM CC(C)(C)C[C@H]([N-]S(=O)(=O)c1ccc2c(c1)OCCO2)C(F)(F)F ZINC000537567790 503957387 /nfs/dbraw/zinc/95/73/87/503957387.db2.gz YBZRWJJXBYUOAT-ZDUSSCGKSA-N -1 3 367.389 3.103 20 0 FGADHM O=C(Cc1ccc([O-])cc1Cl)N1CC[C@@H](n2ncc3ccccc32)C1 ZINC000540973488 503960238 /nfs/dbraw/zinc/96/02/38/503960238.db2.gz NGDGSEFMISOWBH-OAHLLOKOSA-N -1 3 355.825 3.411 20 0 FGADHM O=S(=O)([N-]C1CCN(c2nccc3ccccc32)CC1)c1cccs1 ZINC000527835466 503966195 /nfs/dbraw/zinc/96/61/95/503966195.db2.gz QVLXDWAXRUUNOJ-UHFFFAOYSA-N -1 3 373.503 3.244 20 0 FGADHM Cc1[nH]c(-c2cccc(C)c2)nc1C(=O)N=c1cc(-c2ccncc2)[n-][nH]1 ZINC000533859473 503972421 /nfs/dbraw/zinc/97/24/21/503972421.db2.gz XCLSAQNEACCUKY-UHFFFAOYSA-N -1 3 358.405 3.153 20 0 FGADHM C[C@]1(c2cccc(-c3noc(C=CC4CCCCC4)n3)c2)NC(=O)[N-]C1=O ZINC000547072472 503974340 /nfs/dbraw/zinc/97/43/40/503974340.db2.gz JWNJUKGOFHZFSO-CTDFXDFQSA-N -1 3 366.421 3.385 20 0 FGADHM COCCOc1cccc(-c2noc(-c3cc(-c4ccco4)n[n-]3)n2)c1 ZINC000547077994 503976627 /nfs/dbraw/zinc/97/66/27/503976627.db2.gz IYOHCWDSTCQHJX-UHFFFAOYSA-N -1 3 352.350 3.412 20 0 FGADHM COCCOc1cccc(-c2noc(-c3cc(-c4ccco4)[n-]n3)n2)c1 ZINC000547077994 503976631 /nfs/dbraw/zinc/97/66/31/503976631.db2.gz IYOHCWDSTCQHJX-UHFFFAOYSA-N -1 3 352.350 3.412 20 0 FGADHM CN1CC[C@H]([N-]S(=O)(=O)c2cc3ccccc3o2)[C@H]1c1ccccc1 ZINC000533916073 503988328 /nfs/dbraw/zinc/98/83/28/503988328.db2.gz GPWDEFBPKMCRLI-QFBILLFUSA-N -1 3 356.447 3.157 20 0 FGADHM CCc1cccc(C(=O)NCC2CCN(Cc3nc(C)c(C)o3)CC2)c1[O-] ZINC000537641275 503989867 /nfs/dbraw/zinc/98/98/67/503989867.db2.gz NJSGLTYLLROXFI-UHFFFAOYSA-N -1 3 371.481 3.201 20 0 FGADHM CCc1[n-][nH]c(=NC(=O)c2cc3sc(N4CCCC4)nc3s2)c1C ZINC000530528358 503998954 /nfs/dbraw/zinc/99/89/54/503998954.db2.gz RKWPSWCPGBCMSG-UHFFFAOYSA-N -1 3 361.496 3.226 20 0 FGADHM Cc1cc(Cl)cc(NC(=O)[C@H]2CSCN2C(=O)C2CCCC2)c1[O-] ZINC000533970120 504004236 /nfs/dbraw/zinc/00/42/36/504004236.db2.gz IMUGYUSTRNPHFR-CQSZACIVSA-N -1 3 368.886 3.384 20 0 FGADHM CS(=O)(=O)[N-]c1ccc(-c2noc(C3(c4ccccc4F)CC3)n2)cc1 ZINC000544108240 504009898 /nfs/dbraw/zinc/00/98/98/504009898.db2.gz BTXUBMPZWPNRKS-UHFFFAOYSA-N -1 3 373.409 3.327 20 0 FGADHM Cc1ccccc1CCc1nc(-c2ccc([N-]S(C)(=O)=O)cc2)no1 ZINC000544121234 504015560 /nfs/dbraw/zinc/01/55/60/504015560.db2.gz BUKYERFVWNRSEI-UHFFFAOYSA-N -1 3 357.435 3.202 20 0 FGADHM CCOC(=O)c1ccc(NC(=O)CSc2nc3ccccc3o2)c([O-])c1 ZINC000537766311 504033048 /nfs/dbraw/zinc/03/30/48/504033048.db2.gz BWNFZABQZANWRD-UHFFFAOYSA-N -1 3 372.402 3.441 20 0 FGADHM CCc1cccc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1[O-] ZINC000530641599 504035967 /nfs/dbraw/zinc/03/59/67/504035967.db2.gz LAQFZWQDPAPOAW-UHFFFAOYSA-N -1 3 351.406 3.005 20 0 FGADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@]1(C)CCO[C@H]1C1CC1 ZINC000544187241 504040195 /nfs/dbraw/zinc/04/01/95/504040195.db2.gz MHHGQFFNFVOLGY-DOTOQJQBSA-N -1 3 353.415 3.116 20 0 FGADHM O=C(Nc1ncccc1[O-])c1cnn(-c2ccccc2F)c1-n1cccc1 ZINC000541237443 504055231 /nfs/dbraw/zinc/05/52/31/504055231.db2.gz JDKCNHQQVAAZDU-UHFFFAOYSA-N -1 3 363.352 3.155 20 0 FGADHM C[C@H](C(=O)N1CCC[C@@H]1c1nc(=N)n(C)[n-]1)c1ccc(Cl)c(Cl)c1 ZINC000518781698 504062431 /nfs/dbraw/zinc/06/24/31/504062431.db2.gz RZUPPLKBIODSJL-TVQRCGJNSA-N -1 3 368.268 3.002 20 0 FGADHM CCc1cccc(C(=O)N[C@H](C)c2cc(OC)c(OC)c(OC)c2)c1[O-] ZINC000530719266 504064112 /nfs/dbraw/zinc/06/41/12/504064112.db2.gz INXUMVMUQZJGRY-GFCCVEGCSA-N -1 3 359.422 3.471 20 0 FGADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000544304274 504080757 /nfs/dbraw/zinc/08/07/57/504080757.db2.gz KDGZZPGYFMSDRY-CUWPLCDZSA-N -1 3 351.446 3.020 20 0 FGADHM C[C@@H]1C[C@@H](CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CCO1 ZINC000541312198 504084918 /nfs/dbraw/zinc/08/49/18/504084918.db2.gz GYOQVEHUFDCSPR-MNOVXSKESA-N -1 3 352.283 3.477 20 0 FGADHM Cc1ccc(OCCCC(=O)N=c2cc(-c3cccnc3)[n-][nH]2)c(C)c1 ZINC000534386693 504127302 /nfs/dbraw/zinc/12/73/02/504127302.db2.gz STSPUWWXDOGKMC-UHFFFAOYSA-N -1 3 350.422 3.308 20 0 FGADHM C[C@@H]1CCC[C@@H](C)N1CCNC(=O)N=c1[n-]nc(-c2ccccc2)s1 ZINC000547503673 504129424 /nfs/dbraw/zinc/12/94/24/504129424.db2.gz SDOABHKNJSSIMH-ZIAGYGMSSA-N -1 3 359.499 3.011 20 0 FGADHM O=C(N=c1cc(-c2ccccc2)[n-][nH]1)c1ccc(OCC(F)(F)F)nc1 ZINC000519067687 504131418 /nfs/dbraw/zinc/13/14/18/504131418.db2.gz NAXSAFJLJWNYGJ-UHFFFAOYSA-N -1 3 362.311 3.087 20 0 FGADHM COc1cc(=NC(=O)N[C@@H](CC(C)C)c2ccc(Cl)cc2)[n-]n1C ZINC000547515659 504134238 /nfs/dbraw/zinc/13/42/38/504134238.db2.gz CPOBEWQKEXHMLS-AWEZNQCLSA-N -1 3 350.850 3.413 20 0 FGADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CC[C@H]1C1CC1 ZINC000519083055 504136669 /nfs/dbraw/zinc/13/66/69/504136669.db2.gz UIMQLUPCFXUSST-UXHICEINSA-N -1 3 364.445 3.264 20 0 FGADHM Cc1nc(C[N-]S(=O)(=O)c2cc(F)cc(Cl)c2)nc2ccccc12 ZINC000534422861 504137000 /nfs/dbraw/zinc/13/70/00/504137000.db2.gz VGMNBJCQJGJEEG-UHFFFAOYSA-N -1 3 365.817 3.209 20 0 FGADHM COc1cccc(OC(F)(F)F)c1S(=O)(=O)[N-][C@H]1CCCC[C@H]1C ZINC000528288158 504150660 /nfs/dbraw/zinc/15/06/60/504150660.db2.gz ZJEGIFIHFDGTJH-MNOVXSKESA-N -1 3 367.389 3.451 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCN([C@@H](C)c3ccccc3)C2)c(F)c1 ZINC000519149309 504151052 /nfs/dbraw/zinc/15/10/52/504151052.db2.gz JKPJWKGRTHKGSJ-RDJZCZTQSA-N -1 3 362.470 3.248 20 0 FGADHM COc1cccc(OC(F)(F)F)c1S(=O)(=O)[N-]CCC(C)(C)C ZINC000528298491 504156080 /nfs/dbraw/zinc/15/60/80/504156080.db2.gz FBXHPJVIZMBLJH-UHFFFAOYSA-N -1 3 355.378 3.308 20 0 FGADHM O=S(=O)([N-][C@H](CO)CC(F)(F)F)c1ccc(Cl)c2ccccc21 ZINC000534512370 504160891 /nfs/dbraw/zinc/16/08/91/504160891.db2.gz SPGNSBPOIMHYEY-VIFPVBQESA-N -1 3 367.776 3.085 20 0 FGADHM CC[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1c(OC)cccc1OC(F)(F)F ZINC000528309764 504161963 /nfs/dbraw/zinc/16/19/63/504161963.db2.gz AXZOBHFNJUTWBX-VHSXEESVSA-N -1 3 355.378 3.307 20 0 FGADHM CCC1(C[N-]S(=O)(=O)c2c(OC)cccc2OC(F)(F)F)CCC1 ZINC000528342913 504178257 /nfs/dbraw/zinc/17/82/57/504178257.db2.gz SULYDGCBOWETAK-UHFFFAOYSA-N -1 3 367.389 3.452 20 0 FGADHM O=C(N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1)c1cc(=O)c2ccccc2[n-]1 ZINC000538263567 504181542 /nfs/dbraw/zinc/18/15/42/504181542.db2.gz XIDXQYMRBFPMHY-APWZRJJASA-N -1 3 368.820 3.442 20 0 FGADHM Cc1ccc2[n-]cc(C(=O)N3C[C@H](C)O[C@@H](c4ccccc4)C3)c(=O)c2c1 ZINC000541573388 504183034 /nfs/dbraw/zinc/18/30/34/504183034.db2.gz HGYWARLMCFGUJL-MGPUTAFESA-N -1 3 362.429 3.439 20 0 FGADHM COc1cccc(OC(F)(F)F)c1S(=O)(=O)[N-][C@@H]1CCC(C)(C)C1 ZINC000528360208 504186066 /nfs/dbraw/zinc/18/60/66/504186066.db2.gz SYGVIWUTXOFMRI-SNVBAGLBSA-N -1 3 367.389 3.451 20 0 FGADHM CC(C)[C@H](O)C1(C[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000538285990 504188086 /nfs/dbraw/zinc/18/80/86/504188086.db2.gz BVGWBRWAZMVNMQ-ZDUSSCGKSA-N -1 3 352.283 3.069 20 0 FGADHM N#Cc1ncccc1S(=O)(=O)[N-][C@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000519313477 504189376 /nfs/dbraw/zinc/18/93/76/504189376.db2.gz WNNGXOFJXMRDSX-ZFWWWQNUSA-N -1 3 361.854 3.221 20 0 FGADHM N#Cc1ncccc1S(=O)(=O)[N-][C@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000519313475 504189709 /nfs/dbraw/zinc/18/97/09/504189709.db2.gz WNNGXOFJXMRDSX-HIFRSBDPSA-N -1 3 361.854 3.221 20 0 FGADHM CCCN(CCC)S(=O)(=O)[N-]c1cnn(Cc2ccc(Cl)cc2)c1 ZINC000531106421 504192662 /nfs/dbraw/zinc/19/26/62/504192662.db2.gz VFHRWXSKYNOPTL-UHFFFAOYSA-N -1 3 370.906 3.364 20 0 FGADHM CCOc1cccc2cc([C@@H](C)[N-]S(=O)(=O)Cc3cc(C)no3)oc21 ZINC000531144015 504205398 /nfs/dbraw/zinc/20/53/98/504205398.db2.gz NYULWQFOOYJSFW-GFCCVEGCSA-N -1 3 364.423 3.309 20 0 FGADHM COC(=O)CSCCC(=O)Nc1cc(Cc2ccccc2)ccc1[O-] ZINC000534706073 504220038 /nfs/dbraw/zinc/22/00/38/504220038.db2.gz SVRNNJJZOBUDHN-UHFFFAOYSA-N -1 3 359.447 3.218 20 0 FGADHM Cc1cc(Cl)cc(NC(=O)[C@@H](NC(=O)c2ccccn2)C(C)C)c1[O-] ZINC000534708345 504220063 /nfs/dbraw/zinc/22/00/63/504220063.db2.gz DYIVVIFFQSKKOU-HNNXBMFYSA-N -1 3 361.829 3.142 20 0 FGADHM COc1cccc([C@@H](C[N-]S(=O)(=O)c2cccc(Cl)c2F)OC)c1 ZINC000528450580 504229944 /nfs/dbraw/zinc/22/99/44/504229944.db2.gz VDTSNIGMRIFSSC-CQSZACIVSA-N -1 3 373.833 3.154 20 0 FGADHM C[C@@H]1CCCC[C@H]1c1noc(CCn2[n-]c(=O)c3ccccc3c2=O)n1 ZINC000544719452 504234297 /nfs/dbraw/zinc/23/42/97/504234297.db2.gz SFHFGIWDFVWZRV-CHWSQXEVSA-N -1 3 354.410 3.022 20 0 FGADHM Cc1ccc([C@H](C[N-]S(=O)(=O)c2cc(C)ccc2F)N(C)C)cc1 ZINC000519516745 504236285 /nfs/dbraw/zinc/23/62/85/504236285.db2.gz CAVLMXRMEYKULN-KRWDZBQOSA-N -1 3 350.459 3.024 20 0 FGADHM O=S(=O)([N-]CC1CC=CC1)c1c(Cl)cccc1Br ZINC000528469135 504237360 /nfs/dbraw/zinc/23/73/60/504237360.db2.gz IXZHBPDXKDUNDP-UHFFFAOYSA-N -1 3 350.665 3.347 20 0 FGADHM CC[C@@H](C)[C@@H](NC(=O)N=c1cc(OC)n(C)[n-]1)c1ccc(Cl)cc1 ZINC000547839450 504243912 /nfs/dbraw/zinc/24/39/12/504243912.db2.gz XLLHXUDXIKBSOD-BDJLRTHQSA-N -1 3 350.850 3.413 20 0 FGADHM COc1cc(=NC(=O)N(Cc2ccccc2)Cc2ccccc2F)[n-]n1C ZINC000547845314 504245997 /nfs/dbraw/zinc/24/59/97/504245997.db2.gz MUJMEVJKYXCKIY-UHFFFAOYSA-N -1 3 368.412 3.224 20 0 FGADHM CCC([N-]S(=O)(=O)c1cc(OC)c(OC)cc1F)(C1CC1)C1CC1 ZINC000528491975 504247063 /nfs/dbraw/zinc/24/70/63/504247063.db2.gz MOWYPQGSQRDJGZ-UHFFFAOYSA-N -1 3 357.447 3.090 20 0 FGADHM C[C@](O)(C[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21)C(F)(F)F ZINC000534819375 504249992 /nfs/dbraw/zinc/24/99/92/504249992.db2.gz HAIBRBWPHPMFDW-ZDUSSCGKSA-N -1 3 367.776 3.085 20 0 FGADHM CC(=O)c1ccc(C(=O)N2CCC(N3CCc4ccccc43)CC2)cc1[O-] ZINC000519586862 504264141 /nfs/dbraw/zinc/26/41/41/504264141.db2.gz NWOYVGUIYMJAKP-UHFFFAOYSA-N -1 3 364.445 3.262 20 0 FGADHM COC(=O)c1ccc(C)c(S(=O)(=O)[N-][C@H](C(C)(C)C)C(F)(F)F)c1 ZINC000541826093 504266185 /nfs/dbraw/zinc/26/61/85/504266185.db2.gz SVBKXINXEIIJOM-CYBMUJFWSA-N -1 3 367.389 3.037 20 0 FGADHM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[N-]S(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000528544906 504266921 /nfs/dbraw/zinc/26/69/21/504266921.db2.gz BOGRWFDGAGUPAA-LFNDISMMSA-N -1 3 352.283 3.225 20 0 FGADHM COc1ccc(S(=O)(=O)[N-][C@H]2[C@@H](C)[C@H](C)O[C@H]2C)c(Cl)c1Cl ZINC000528551330 504268637 /nfs/dbraw/zinc/26/86/37/504268637.db2.gz MXEPEGAPJIYYOH-FMCOEWMSSA-N -1 3 368.282 3.092 20 0 FGADHM C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[N-]S(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000528550488 504269268 /nfs/dbraw/zinc/26/92/68/504269268.db2.gz MQFOMDYCMGQZAL-PUXPGTEJSA-N -1 3 352.283 3.225 20 0 FGADHM CCc1cccc(C(=O)N(C)CC(=O)Nc2ccccc2SC)c1[O-] ZINC000531355686 504277379 /nfs/dbraw/zinc/27/73/79/504277379.db2.gz USLNNQDFEJVMLZ-UHFFFAOYSA-N -1 3 358.463 3.387 20 0 FGADHM O=C(N[C@@H]1CCn2ccnc2C1)c1cc(CCc2ccccc2)ccc1[O-] ZINC000547989917 504284518 /nfs/dbraw/zinc/28/45/18/504284518.db2.gz QOAWQOFZIBTSNH-GOSISDBHSA-N -1 3 361.445 3.119 20 0 FGADHM CC(C)(CO)[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)C1CC1 ZINC000519646899 504288047 /nfs/dbraw/zinc/28/80/47/504288047.db2.gz FJXUIMNXRTVXRH-ZDUSSCGKSA-N -1 3 352.283 3.069 20 0 FGADHM COc1ccc(CN2CCC[C@@H]([C@@H]3CCOC3)C2)c(Br)c1[O-] ZINC000544942588 504306537 /nfs/dbraw/zinc/30/65/37/504306537.db2.gz FTCTVGYRWJXGIQ-TZMCWYRMSA-N -1 3 370.287 3.412 20 0 FGADHM Cc1cccc(S(=O)(=O)[N-][C@@H]2CCN([C@@H](C)c3ccccc3)C2)c1F ZINC000541932243 504306676 /nfs/dbraw/zinc/30/66/76/504306676.db2.gz JQSFGMWRXSATPP-DOTOQJQBSA-N -1 3 362.470 3.248 20 0 FGADHM O=C(NCc1ncccc1[O-])Nc1cc(CC2CC2)nn1-c1ccccc1 ZINC000548066738 504316687 /nfs/dbraw/zinc/31/66/87/504316687.db2.gz MNDQBZLZGREEPK-UHFFFAOYSA-N -1 3 363.421 3.247 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)c1cncc(C(=O)OC)c1)c1ccc(Cl)s1 ZINC000519739053 504321884 /nfs/dbraw/zinc/32/18/84/504321884.db2.gz FCZPGJUMQVPEIZ-NSHDSACASA-N -1 3 374.871 3.013 20 0 FGADHM Cc1nc2ccc(-c3noc(Cc4c(C)nc(C)[n-]c4=O)n3)cc2s1 ZINC000545006858 504327690 /nfs/dbraw/zinc/32/76/90/504327690.db2.gz IABRRXRPQIVKKH-UHFFFAOYSA-N -1 3 353.407 3.358 20 0 FGADHM O=C(NCc1ncccc1[O-])c1nc2ccccc2cc1Br ZINC000519757219 504328870 /nfs/dbraw/zinc/32/88/70/504328870.db2.gz HNCBIBBJYWCRMU-UHFFFAOYSA-N -1 3 358.195 3.028 20 0 FGADHM Cc1cc(-c2noc(-c3cc(-c4ccco4)n[n-]3)n2)ccc1-n1cncn1 ZINC000545017066 504331574 /nfs/dbraw/zinc/33/15/74/504331574.db2.gz GYWJVBMNDXCTET-UHFFFAOYSA-N -1 3 359.349 3.276 20 0 FGADHM Cc1cc(-c2noc(-c3cc(-c4ccco4)[n-]n3)n2)ccc1-n1cncn1 ZINC000545017066 504331581 /nfs/dbraw/zinc/33/15/81/504331581.db2.gz GYWJVBMNDXCTET-UHFFFAOYSA-N -1 3 359.349 3.276 20 0 FGADHM COc1cccc(/C=C/c2nc(-c3ccc([N-]S(C)(=O)=O)cc3)no2)c1 ZINC000545022019 504333086 /nfs/dbraw/zinc/33/30/86/504333086.db2.gz AKUZUUWYLCFISK-IZZDOVSWSA-N -1 3 371.418 3.287 20 0 FGADHM C[C@H](c1cccs1)c1noc(-c2ccc(F)c([N-]S(C)(=O)=O)c2)n1 ZINC000545024680 504334866 /nfs/dbraw/zinc/33/48/66/504334866.db2.gz FVLYLVRECGPNPL-SECBINFHSA-N -1 3 367.427 3.461 20 0 FGADHM CC1(C)CCCC[C@@H]1[N-]S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2 ZINC000531556079 504345618 /nfs/dbraw/zinc/34/56/18/504345618.db2.gz PWUJLEZJYUMBSJ-HNNXBMFYSA-N -1 3 370.902 3.472 20 0 FGADHM Cc1cc(O[C@H](C)C(=O)N=c2cc(-c3cccnc3)[n-][nH]2)ccc1Cl ZINC000535120614 504347092 /nfs/dbraw/zinc/34/70/92/504347092.db2.gz NEPRIIXYIXVWBK-GFCCVEGCSA-N -1 3 356.813 3.261 20 0 FGADHM [O-]c1ccc(Br)c(CN2CCC[C@@H]2[C@@H](O)C(F)(F)F)c1 ZINC000538731574 504347798 /nfs/dbraw/zinc/34/77/98/504347798.db2.gz WJBGMPPINFBSPO-VXGBXAGGSA-N -1 3 354.166 3.042 20 0 FGADHM COC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@@H](C)c2cc(C)sc2C)c1 ZINC000542050023 504350395 /nfs/dbraw/zinc/35/03/95/504350395.db2.gz GTMMHXXRINLFHO-JTQLQIEISA-N -1 3 371.455 3.330 20 0 FGADHM CCc1ccc([O-])c(C(=O)N[C@H](CN2CCCC2=O)c2ccccc2)c1 ZINC000538744122 504355608 /nfs/dbraw/zinc/35/56/08/504355608.db2.gz MZKTUXWYRRFBOA-GOSISDBHSA-N -1 3 352.434 3.048 20 0 FGADHM C[C@H](NC(=O)Cc1ccc([O-])cc1Cl)c1ccc([S@@](C)=O)cc1 ZINC000535253381 504383714 /nfs/dbraw/zinc/38/37/14/504383714.db2.gz SRERJBJFMQPUNA-BSNNYGBQSA-N -1 3 351.855 3.203 20 0 FGADHM CC(C)Oc1ccccc1[C@H](C)NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000519959166 504389580 /nfs/dbraw/zinc/38/95/80/504389580.db2.gz UCYIKCREFLISII-LBPRGKRZSA-N -1 3 367.405 3.240 20 0 FGADHM CO[C@H](c1ccc(F)cc1)[C@H](C)[N-]S(=O)(=O)Cc1c(F)cccc1F ZINC000538846594 504390375 /nfs/dbraw/zinc/39/03/75/504390375.db2.gz PIPCHPBAXSTVKP-GTNSWQLSSA-N -1 3 373.396 3.300 20 0 FGADHM Cn1[n-]c(=NC(=O)N2CCCCC[C@@H]2c2ccco2)cc1OC(F)F ZINC000548328136 504400638 /nfs/dbraw/zinc/40/06/38/504400638.db2.gz VRVZHSKHUWDTLK-LLVKDONJSA-N -1 3 354.357 3.186 20 0 FGADHM Cc1c(C)n(Cc2ccco2)c2ncnc(NCc3cnc(C)[n-]c3=O)c12 ZINC000542197641 504401578 /nfs/dbraw/zinc/40/15/78/504401578.db2.gz XQBGWXBUXARUFF-UHFFFAOYSA-N -1 3 364.409 3.106 20 0 FGADHM CC(C)N1CCc2nc([N-]C(=O)c3cc(-c4ccccn4)no3)sc2C1 ZINC000542200141 504402454 /nfs/dbraw/zinc/40/24/54/504402454.db2.gz RRZXVABJTQDMGQ-UHFFFAOYSA-N -1 3 369.450 3.212 20 0 FGADHM CCCCOCC[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000520073665 504407261 /nfs/dbraw/zinc/40/72/61/504407261.db2.gz CGBXLTYYXDZQQI-UHFFFAOYSA-N -1 3 359.797 3.454 20 0 FGADHM O=C([N-]c1nnc(CC(F)(F)F)s1)c1cnc(-c2ccccc2)nc1 ZINC000531733841 504407441 /nfs/dbraw/zinc/40/74/41/504407441.db2.gz LLEHDPXFOBIFJR-UHFFFAOYSA-N -1 3 365.340 3.352 20 0 FGADHM Cc1ccc([C@@H](C[N-]S(=O)(=O)c2cccc(Cl)c2F)N(C)C)cc1 ZINC000520134791 504416761 /nfs/dbraw/zinc/41/67/61/504416761.db2.gz IGPKPADIVMFHFD-OAHLLOKOSA-N -1 3 370.877 3.369 20 0 FGADHM COC(=O)c1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc3[nH]c(C)nc3c2)c1 ZINC000535398094 504424695 /nfs/dbraw/zinc/42/46/95/504424695.db2.gz YHULLENGOCWPKL-UHFFFAOYSA-N -1 3 373.434 3.076 20 0 FGADHM COC(=O)c1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc3nc(C)[nH]c3c2)c1 ZINC000535398094 504424698 /nfs/dbraw/zinc/42/46/98/504424698.db2.gz YHULLENGOCWPKL-UHFFFAOYSA-N -1 3 373.434 3.076 20 0 FGADHM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-]c1cc(OC)ccc1Cl ZINC000535400833 504424763 /nfs/dbraw/zinc/42/47/63/504424763.db2.gz BBPAZNZPTPSYRJ-UHFFFAOYSA-N -1 3 373.789 3.075 20 0 FGADHM Cc1cc(CS(=O)(=O)[N-][C@H](c2cccc(F)c2)C2CCCC2)on1 ZINC000531803385 504428757 /nfs/dbraw/zinc/42/87/57/504428757.db2.gz ZKNLKYOLQZGOBY-KRWDZBQOSA-N -1 3 352.431 3.473 20 0 FGADHM Cc1noc(C)c1C[C@@H](C)NC(=O)Cc1ccc(Br)cc1[O-] ZINC000548401566 504431017 /nfs/dbraw/zinc/43/10/17/504431017.db2.gz SMWWASPAMRYOFT-SECBINFHSA-N -1 3 367.243 3.049 20 0 FGADHM CC1(C)[C@H](NC(=O)Cc2ccc(Br)cc2[O-])[C@H]2CCCO[C@H]21 ZINC000548405212 504433241 /nfs/dbraw/zinc/43/32/41/504433241.db2.gz FTZCNRCSQOPYIN-DAXOMENPSA-N -1 3 368.271 3.017 20 0 FGADHM CCc1n[n-]c(=NC(=O)NCC2(N[C@@H](C)c3ccccc3)CCCC2)s1 ZINC000520267189 504450340 /nfs/dbraw/zinc/45/03/40/504450340.db2.gz ZDTMNEGXCAKDIX-AWEZNQCLSA-N -1 3 373.526 3.308 20 0 FGADHM C/C=C\c1ccc(NC(=O)[C@H](C)[N-]S(=O)(=O)c2cccs2)cc1 ZINC000520275058 504451774 /nfs/dbraw/zinc/45/17/74/504451774.db2.gz GLRBYWKCUMIFGG-FHMRSRPSSA-N -1 3 350.465 3.087 20 0 FGADHM CCOC(=O)CC[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000535532403 504461209 /nfs/dbraw/zinc/46/12/09/504461209.db2.gz JSEWODWBXSTAPS-SECBINFHSA-N -1 3 354.255 3.004 20 0 FGADHM COc1ccc2c(c1)OC[C@@H]2CC(=O)Nc1n[n-]c(-c2ccccc2F)n1 ZINC000535532040 504461229 /nfs/dbraw/zinc/46/12/29/504461229.db2.gz FFSFPRILCMJZPA-NSHDSACASA-N -1 3 368.368 3.124 20 0 FGADHM CCOC(=O)c1ccc(NC(=O)[C@@H]2Cc3cc(C)c(C)cc3O2)c([O-])c1 ZINC000535543189 504464974 /nfs/dbraw/zinc/46/49/74/504464974.db2.gz QLNKIOKQAKAGOL-SFHVURJKSA-N -1 3 355.390 3.128 20 0 FGADHM CCOC(=O)c1ccc(NC(=O)CCCOc2ccc(OC)cc2)c([O-])c1 ZINC000535542311 504465104 /nfs/dbraw/zinc/46/51/04/504465104.db2.gz LXSZPPQVMWDKII-UHFFFAOYSA-N -1 3 373.405 3.375 20 0 FGADHM Cc1cc(C)c2nc(C3CC3)cc(C(=O)NCc3cnc(C)[n-]c3=O)c2c1 ZINC000542387605 504471467 /nfs/dbraw/zinc/47/14/67/504471467.db2.gz UEMLDFKADAGOOD-UHFFFAOYSA-N -1 3 362.433 3.463 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)c2ccn(Cc3ccccc3)n2)c1-c1ccccc1 ZINC000548513900 504474118 /nfs/dbraw/zinc/47/41/18/504474118.db2.gz KNMOVNFFHFFBFL-UHFFFAOYSA-N -1 3 357.417 3.304 20 0 FGADHM CC(C)(C)[C@@H]1CCN(C(=O)c2cc([O-])cc(Br)c2)C[C@@H]1O ZINC000528971164 504475556 /nfs/dbraw/zinc/47/55/56/504475556.db2.gz KWCRPXXULUQXIX-KGLIPLIRSA-N -1 3 356.260 3.024 20 0 FGADHM COC(=O)c1ccc(S(=O)(=O)[N-]CCc2sccc2C)c(Cl)c1 ZINC000539117778 504480239 /nfs/dbraw/zinc/48/02/39/504480239.db2.gz UNSIMQLNIOONMH-UHFFFAOYSA-N -1 3 373.883 3.018 20 0 FGADHM O=C(CCc1ccc(-c2ccccc2)[nH]1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000520408216 504490742 /nfs/dbraw/zinc/49/07/42/504490742.db2.gz PQFNYOUOAGWZHS-UHFFFAOYSA-N -1 3 358.405 3.433 20 0 FGADHM O=C(CCc1ccc(-c2ccccc2)[nH]1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000520408216 504490752 /nfs/dbraw/zinc/49/07/52/504490752.db2.gz PQFNYOUOAGWZHS-UHFFFAOYSA-N -1 3 358.405 3.433 20 0 FGADHM COc1cc(C(=O)Nc2cccc([O-])c2F)cc(OC)c1OC(F)F ZINC000535658106 504497241 /nfs/dbraw/zinc/49/72/41/504497241.db2.gz LBRCWRZJVKAWDG-UHFFFAOYSA-N -1 3 357.284 3.402 20 0 FGADHM CO[C@H]1CCC[C@H]1C[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000539221384 504500974 /nfs/dbraw/zinc/50/09/74/504500974.db2.gz SSIYEIZIDPMLJY-JQWIXIFHSA-N -1 3 352.283 3.395 20 0 FGADHM O=C(Nc1c[nH]nc1[C@H]1CCCN(Cc2ncccc2[O-])C1)C1CCCC1 ZINC000520459112 504504476 /nfs/dbraw/zinc/50/44/76/504504476.db2.gz PUPVNDDIABNODY-HNNXBMFYSA-N -1 3 369.469 3.019 20 0 FGADHM O=C(NC[C@@H]1CCO[C@H]1c1ccc(F)cc1)c1cc(=O)c2ccccc2[n-]1 ZINC000548675663 504524580 /nfs/dbraw/zinc/52/45/80/504524580.db2.gz HNZKABWOAXOSDM-XOBRGWDASA-N -1 3 366.392 3.175 20 0 FGADHM Cc1c(CN(C)C(=O)c2cc(CCc3ccccc3)ccc2[O-])cnn1C ZINC000548725653 504542881 /nfs/dbraw/zinc/54/28/81/504542881.db2.gz BPULSRDLTGLWIX-UHFFFAOYSA-N -1 3 363.461 3.492 20 0 FGADHM CCC(C)(C)c1ccc(NC(=O)C[N-]S(=O)(=O)c2cccs2)cc1 ZINC000548730451 504545078 /nfs/dbraw/zinc/54/50/78/504545078.db2.gz SKISZJICYYPCPI-UHFFFAOYSA-N -1 3 366.508 3.353 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1Cl)c1ccon1 ZINC000539374517 504545875 /nfs/dbraw/zinc/54/58/75/504545875.db2.gz QSXXNUMFVGVWLC-SSDOTTSWSA-N -1 3 354.737 3.386 20 0 FGADHM CCOC(=O)c1[n-]c(C)nc1NC(=O)c1cc(C)ccc1Br ZINC000532179080 504563840 /nfs/dbraw/zinc/56/38/40/504563840.db2.gz FHPBKOBAKSKBMP-UHFFFAOYSA-N -1 3 366.215 3.218 20 0 FGADHM CCOC(=O)c1nc(C)[n-]c1NC(=O)c1cc(C)ccc1Br ZINC000532179080 504563847 /nfs/dbraw/zinc/56/38/47/504563847.db2.gz FHPBKOBAKSKBMP-UHFFFAOYSA-N -1 3 366.215 3.218 20 0 FGADHM CCOc1ccc(-c2nc(C(=O)[N-]c3nc4n(n3)CCCC4)cs2)cc1 ZINC000520745826 504571596 /nfs/dbraw/zinc/57/15/96/504571596.db2.gz QWIGATIZZLMFND-UHFFFAOYSA-N -1 3 369.450 3.389 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1cc(F)cc(Cl)c1)[C@@H]1COc2ccccc21 ZINC000535906465 504579807 /nfs/dbraw/zinc/57/98/07/504579807.db2.gz OLHVPLYYPYKUPN-BMIGLBTASA-N -1 3 355.818 3.322 20 0 FGADHM NC(=O)CSc1ccccc1[N-]C(=O)c1csc(-c2ccoc2)n1 ZINC000520795892 504584003 /nfs/dbraw/zinc/58/40/03/504584003.db2.gz NKDRIVFOYSYALM-UHFFFAOYSA-N -1 3 359.432 3.233 20 0 FGADHM COC1CCC(C)(CNC(=O)c2cc([O-])cc(Br)c2)CC1 ZINC000529220068 504590955 /nfs/dbraw/zinc/59/09/55/504590955.db2.gz XRVLWGUIFATFFX-UHFFFAOYSA-N -1 3 356.260 3.480 20 0 FGADHM Cn1[n-]c([C@H]2CCCN2C(=O)c2cc3c(ccc4ccccc34)o2)nc1=N ZINC000529264517 504611639 /nfs/dbraw/zinc/61/16/39/504611639.db2.gz GDJBESVEYQNBCB-OAHLLOKOSA-N -1 3 361.405 3.104 20 0 FGADHM 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C[C@@H](C(=O)NCc1ccc([O-])c(F)c1)N1CCC(Cc2ccccc2)CC1 ZINC000532867693 504769685 /nfs/dbraw/zinc/76/96/85/504769685.db2.gz WZDPCTRYFQKTLQ-INIZCTEOSA-N -1 3 370.468 3.491 20 0 FGADHM COC(=O)c1cnc([N-]C(=O)c2coc(-c3ccccc3)n2)c(Cl)c1 ZINC000562322980 504783598 /nfs/dbraw/zinc/78/35/98/504783598.db2.gz FXVBVAZZHGSYEW-UHFFFAOYSA-N -1 3 357.753 3.429 20 0 FGADHM CN(C)c1nc(C(=O)Nc2ccc3oc(CC(C)(C)C)nc3c2)cc(=O)[n-]1 ZINC000549310622 504788971 /nfs/dbraw/zinc/78/89/71/504788971.db2.gz GRMUFVVPRXXDGA-UHFFFAOYSA-N -1 3 369.425 3.230 20 0 FGADHM COc1cccc([C@H](CC(=O)[O-])NCc2cccc(-n3cccn3)c2)c1 ZINC000559160354 504795301 /nfs/dbraw/zinc/79/53/01/504795301.db2.gz ZFHSVCVYVYZGPI-IBGZPJMESA-N -1 3 351.406 3.187 20 0 FGADHM COCCC[C@H](CNC(=O)c1csc(=O)[n-]1)c1ccc(Cl)cc1 ZINC000553028976 504808342 /nfs/dbraw/zinc/80/83/42/504808342.db2.gz VHAGMIAAMAVIBT-GFCCVEGCSA-N -1 3 354.859 3.442 20 0 FGADHM O=C(c1csc(-c2ccccc2Cl)n1)N1CCc2c(=O)[n-]cnc2C1 ZINC000559252624 504809405 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CC1(C)CCC[C@]1(O)C[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000549479684 504833470 /nfs/dbraw/zinc/83/34/70/504833470.db2.gz SMMYQYGRNDYILO-AWEZNQCLSA-N -1 3 352.283 3.213 20 0 FGADHM CC1(C)CC(=O)c2cc(NC(=O)c3cc(C(F)(F)F)n[n-]3)ccc2O1 ZINC000553129840 504833865 /nfs/dbraw/zinc/83/38/65/504833865.db2.gz UYULAQHUVBHOIW-UHFFFAOYSA-N -1 3 353.300 3.425 20 0 FGADHM CC1(C)CC(=O)c2cc(NC(=O)c3cc(C(F)(F)F)[n-]n3)ccc2O1 ZINC000553129840 504833869 /nfs/dbraw/zinc/83/38/69/504833869.db2.gz UYULAQHUVBHOIW-UHFFFAOYSA-N -1 3 353.300 3.425 20 0 FGADHM CCCc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(=O)n(CC)c2)c1 ZINC000556302373 504839750 /nfs/dbraw/zinc/83/97/50/504839750.db2.gz DOHWAMKTOMZIFL-UHFFFAOYSA-N -1 3 354.859 3.275 20 0 FGADHM CC(C)C(C)(C)NC(=O)Cc1csc(NC(=O)c2cccc([O-])c2)n1 ZINC000553165139 504842359 /nfs/dbraw/zinc/84/23/59/504842359.db2.gz LIUOSURLHLGJEY-UHFFFAOYSA-N -1 3 361.467 3.194 20 0 FGADHM COCCN(C(=O)c1c[n-]c2c(C)cc(F)cc2c1=O)[C@@H]1CCC[C@H]1C ZINC000553168830 504843028 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O=S(=O)([N-][C@H]1[C@@H]2CCC[C@@H]21)c1cccc(Br)c1Cl ZINC000556396115 504862874 /nfs/dbraw/zinc/86/28/74/504862874.db2.gz KYOMIQXRNDPLLG-JDICNCQASA-N -1 3 350.665 3.179 20 0 FGADHM O=C([O-])c1cnc2ccccc2c1N1CCC([C@H](O)C(F)(F)F)CC1 ZINC000565366828 504866565 /nfs/dbraw/zinc/86/65/65/504866565.db2.gz HFHZEOIIJOOOFE-HNNXBMFYSA-N -1 3 354.328 3.073 20 0 FGADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)N1CCc2cc(Cl)ccc21 ZINC000553299731 504876718 /nfs/dbraw/zinc/87/67/18/504876718.db2.gz SYROOTXNSCEHGA-UHFFFAOYSA-N -1 3 368.824 3.408 20 0 FGADHM CCC[C@H]([N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F)c1ccccc1 ZINC000549728175 504882213 /nfs/dbraw/zinc/88/22/13/504882213.db2.gz MXWZRQHLDSTUDY-LBPRGKRZSA-N -1 3 361.389 3.259 20 0 FGADHM Cc1ccc(C(=O)N=c2cc3ccccn3[n-]2)cc1NC(=O)NC(C)(C)C ZINC000553319233 504882296 /nfs/dbraw/zinc/88/22/96/504882296.db2.gz AJXYGLRHUPHNJQ-UHFFFAOYSA-N -1 3 365.437 3.237 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)[C@@H]3CCC(=O)c4ccccc43)[n-]c21 ZINC000559580136 504890770 /nfs/dbraw/zinc/89/07/70/504890770.db2.gz NTUUGKAKCHGVSU-CYBMUJFWSA-N -1 3 363.373 3.048 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@@H]3CCC(=O)c4ccccc43)nc21 ZINC000559580136 504890774 /nfs/dbraw/zinc/89/07/74/504890774.db2.gz NTUUGKAKCHGVSU-CYBMUJFWSA-N -1 3 363.373 3.048 20 0 FGADHM C[C@@H](Sc1ccccc1Cl)C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000565515526 504909423 /nfs/dbraw/zinc/90/94/23/504909423.db2.gz BIOBUKGZVAWIDF-ZWNOBZJWSA-N -1 3 351.859 3.456 20 0 FGADHM COc1cccc(N2CCN(c3c(C(=O)[O-])cnc4ccccc43)CC2)c1 ZINC000565534036 504914790 /nfs/dbraw/zinc/91/47/90/504914790.db2.gz OFORDEXMTAASOY-UHFFFAOYSA-N -1 3 363.417 3.268 20 0 FGADHM Cc1ccc2[n-]cc(C(=O)N3CCC[C@@H](CC(=O)OC(C)C)C3)c(=O)c2c1 ZINC000553458885 504920379 /nfs/dbraw/zinc/92/03/79/504920379.db2.gz FGPHAFRAQORSQI-HNNXBMFYSA-N -1 3 370.449 3.030 20 0 FGADHM CC(=O)c1ccccc1C(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000559842594 504936621 /nfs/dbraw/zinc/93/66/21/504936621.db2.gz LNFYMXURXWBJJP-UHFFFAOYSA-N -1 3 366.417 3.086 20 0 FGADHM Cc1nn(C)cc1S(=O)(=O)[N-][C@@H](CC(F)(F)F)c1ccccc1C ZINC000553542657 504944769 /nfs/dbraw/zinc/94/47/69/504944769.db2.gz IXOVTTOHDZKOKY-ZDUSSCGKSA-N -1 3 361.389 3.009 20 0 FGADHM O=S(=O)([N-][C@H]1CC[C@H](F)C1)c1cccc(Cl)c1Br ZINC000553547311 504945350 /nfs/dbraw/zinc/94/53/50/504945350.db2.gz NHTYCSZMVFKNIW-YUMQZZPRSA-N -1 3 356.644 3.271 20 0 FGADHM CC(C)(C)Oc1nc(NCc2ncccc2[O-])ncc1Br ZINC000553562615 504949188 /nfs/dbraw/zinc/94/91/88/504949188.db2.gz YFLSEUXTNATERC-UHFFFAOYSA-N -1 3 353.220 3.129 20 0 FGADHM Cc1ccc(CS(=O)(=O)[N-][C@H]2c3ccc(F)cc3O[C@H]2C)cc1F ZINC000553563874 504949479 /nfs/dbraw/zinc/94/94/79/504949479.db2.gz BGLCFIGUROGQED-APPDUMDISA-N -1 3 353.390 3.215 20 0 FGADHM CC(C)Oc1ccc([C@@H](C[N-]S(=O)(=O)c2cccs2)N(C)C)cc1 ZINC000553570303 504951676 /nfs/dbraw/zinc/95/16/76/504951676.db2.gz WZQBNUKMSUPCCT-MRXNPFEDSA-N -1 3 368.524 3.117 20 0 FGADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]Cc1nccc(C(F)F)n1 ZINC000553570663 504951784 /nfs/dbraw/zinc/95/17/84/504951784.db2.gz QOCXUXMVDSCSLW-UHFFFAOYSA-N -1 3 371.340 3.086 20 0 FGADHM C[C@@H]1Oc2cc(F)ccc2[C@H]1[N-]S(=O)(=O)Cc1c(F)cccc1F ZINC000553574574 504953161 /nfs/dbraw/zinc/95/31/61/504953161.db2.gz KSWXFYLMCQAADP-FVMDXXJSSA-N -1 3 357.353 3.046 20 0 FGADHM C[C@H]1Oc2cc(F)ccc2[C@H]1[N-]S(=O)(=O)Cc1c(F)cccc1F ZINC000553574573 504953128 /nfs/dbraw/zinc/95/31/28/504953128.db2.gz KSWXFYLMCQAADP-ABKXIKBNSA-N -1 3 357.353 3.046 20 0 FGADHM CN(C)[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1F)c1ccsc1 ZINC000560042590 504976930 /nfs/dbraw/zinc/97/69/30/504976930.db2.gz NSJUURGVHKFPHL-CYBMUJFWSA-N -1 3 362.879 3.122 20 0 FGADHM CC[C@@H](C)N[C@H](C[N-]S(=O)(=O)c1cc2ccccc2o1)c1ccco1 ZINC000556820104 504984171 /nfs/dbraw/zinc/98/41/71/504984171.db2.gz LOQUECVBDRTYHS-UKRRQHHQSA-N -1 3 362.451 3.434 20 0 FGADHM C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CCC[C@]2(CC=CCC2)C1 ZINC000565778752 504984499 /nfs/dbraw/zinc/98/44/99/504984499.db2.gz FLVLVYAQNJKWJQ-HRAATJIYSA-N -1 3 356.466 3.212 20 0 FGADHM C[C@H]1CN(C(=O)c2csc(=O)[n-]2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000553723896 504991877 /nfs/dbraw/zinc/99/18/77/504991877.db2.gz VQZZSEZERFZLHQ-ZANVPECISA-N -1 3 372.368 3.470 20 0 FGADHM CN(Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[n-]1)C1CCOCC1 ZINC000565819072 504996675 /nfs/dbraw/zinc/99/66/75/504996675.db2.gz MWXIHNCIJCHUAB-UHFFFAOYSA-N -1 3 373.453 3.402 20 0 FGADHM COCCC(C)(C)C[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000553857767 505025836 /nfs/dbraw/zinc/02/58/36/505025836.db2.gz IAWIKCBNPMSRNK-UHFFFAOYSA-N -1 3 373.368 3.065 20 0 FGADHM Cc1cc2cc(NC(=O)c3c[n-]nc3-c3ccccc3)ccc2n(C)c1=O ZINC000553902057 505037016 /nfs/dbraw/zinc/03/70/16/505037016.db2.gz QDIBZUBXWVELEV-UHFFFAOYSA-N -1 3 358.401 3.489 20 0 FGADHM Cc1cccc(F)c1S(=O)(=O)[N-][C@H](C)CCOCc1ccccc1 ZINC000553909746 505039464 /nfs/dbraw/zinc/03/94/64/505039464.db2.gz ZUZVZJICJXOBBB-OAHLLOKOSA-N -1 3 351.443 3.408 20 0 FGADHM COc1cc(C)c(NC(=O)c2ccc([N-]S(C)(=O)=O)cc2)c(C)c1C ZINC000554075909 505082028 /nfs/dbraw/zinc/08/20/28/505082028.db2.gz PFUAEVAAHSTCGL-UHFFFAOYSA-N -1 3 362.451 3.244 20 0 FGADHM CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CNC(=O)c1ccc([O-])cc1 ZINC000550675358 505083142 /nfs/dbraw/zinc/08/31/42/505083142.db2.gz SKODZNKOCRXEIB-UHFFFAOYSA-N -1 3 367.232 3.087 20 0 FGADHM CCc1cc(=O)[n-]c(CSCCC(=O)N2CCCc3ccccc32)n1 ZINC000560442345 505086053 /nfs/dbraw/zinc/08/60/53/505086053.db2.gz HZNHYOZBZZFKCH-UHFFFAOYSA-N -1 3 357.479 3.347 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]Cc2cn(-c3ccccc3)nc2C(C)C)o1 ZINC000557296777 505104922 /nfs/dbraw/zinc/10/49/22/505104922.db2.gz BXZAAZZKGXXWSR-UHFFFAOYSA-N -1 3 359.451 3.376 20 0 FGADHM CCc1ccc([C@H](COC)[N-]S(=O)(=O)C[C@H](C)COC2CCCC2)o1 ZINC000563326092 505109790 /nfs/dbraw/zinc/10/97/90/505109790.db2.gz QWLCSZVPTOJNRC-PBHICJAKSA-N -1 3 373.515 3.044 20 0 FGADHM COC(=O)c1cc(-c2csc([N-]C(=O)c3sccc3F)n2)c[nH]1 ZINC000550859066 505115650 /nfs/dbraw/zinc/11/56/50/505115650.db2.gz IZRSGWYOFHRSBF-UHFFFAOYSA-N -1 3 351.384 3.378 20 0 FGADHM CCCCc1nc2cc([N-]S(=O)(=O)C[C@H](OC)C3CC3)ccc2[nH]1 ZINC000566229015 505119054 /nfs/dbraw/zinc/11/90/54/505119054.db2.gz FLPHQBOKJOOOKF-INIZCTEOSA-N -1 3 351.472 3.072 20 0 FGADHM C[C@H]1CCN(C(=O)c2ccnc(NC(=O)C3CC3)c2)c2c([O-])cccc21 ZINC000557399679 505125885 /nfs/dbraw/zinc/12/58/85/505125885.db2.gz WAJURRHSFJSEJI-LBPRGKRZSA-N -1 3 351.406 3.290 20 0 FGADHM Cc1ccc(OC2CCN(C(=O)c3cc(=O)[n-]c(C4CC4)n3)CC2)cc1C ZINC000563378646 505126570 /nfs/dbraw/zinc/12/65/70/505126570.db2.gz WMTDNWNTKYHQOZ-UHFFFAOYSA-N -1 3 367.449 3.360 20 0 FGADHM CCc1[n-][nH]c(=NC(=O)c2c(C)nc(-c3ccco3)nc2SC)c1C ZINC000563410634 505136033 /nfs/dbraw/zinc/13/60/33/505136033.db2.gz ZGHDLIVTDVOKBW-UHFFFAOYSA-N -1 3 357.439 3.035 20 0 FGADHM O=C([O-])c1cnc2ccccc2c1N1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000566293233 505136889 /nfs/dbraw/zinc/13/68/89/505136889.db2.gz JZWAAMZYXCBKDF-LBPRGKRZSA-N -1 3 350.378 3.187 20 0 FGADHM CCOC(=O)c1c(C)c2ccccc2nc1CN1CC[C@@](C)(C(=O)[O-])C1 ZINC000566302456 505138890 /nfs/dbraw/zinc/13/88/90/505138890.db2.gz XGUXIFWDSHCCKS-HXUWFJFHSA-N -1 3 356.422 3.017 20 0 FGADHM COc1ccc([C@H]2CCCN2C(=O)c2cc(=O)[n-]c(C3CC3)n2)c(OC)c1 ZINC000557475528 505145529 /nfs/dbraw/zinc/14/55/29/505145529.db2.gz JSYXVOUKSYKUDJ-MRXNPFEDSA-N -1 3 369.421 3.054 20 0 FGADHM COc1ccc2c(c1)CCC[C@@]2(NCc1ccc(OC)cc1OC)C(=O)[O-] ZINC000551055579 505148559 /nfs/dbraw/zinc/14/85/59/505148559.db2.gz NQPBVMQXMFWKTJ-NRFANRHFSA-N -1 3 371.433 3.118 20 0 FGADHM Cc1ccc2[n-]cc(C(=O)N3CCO[C@H](c4cccc(F)c4)C3)c(=O)c2c1 ZINC000557502936 505151103 /nfs/dbraw/zinc/15/11/03/505151103.db2.gz DICAZHARUANNCN-IBGZPJMESA-N -1 3 366.392 3.189 20 0 FGADHM O=C([O-])[C@H]1CCO[C@H]1C1CCN(Cc2cc(-c3ccccc3)no2)CC1 ZINC000566366477 505154269 /nfs/dbraw/zinc/15/42/69/505154269.db2.gz CKHAKKSZEBTDSZ-HKUYNNGSSA-N -1 3 356.422 3.043 20 0 FGADHM CC1(C)CC[C@@H](c2nc(-c3cccc([C@]4(C)NC(=O)[N-]C4=O)c3)no2)C1 ZINC000566365727 505154996 /nfs/dbraw/zinc/15/49/96/505154996.db2.gz YLDIEZDSTVXZRL-BLVKFPJESA-N -1 3 354.410 3.085 20 0 FGADHM O=C(Nc1ccc(F)c(-n2nnnc2C2CC2)c1)c1cc([O-])ccc1Cl ZINC000551133373 505164026 /nfs/dbraw/zinc/16/40/26/505164026.db2.gz GZWLVAKXRQKLOB-UHFFFAOYSA-N -1 3 373.775 3.290 20 0 FGADHM C[C@@H](NC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)[C@H]1CC2CCC1CC2 ZINC000566401680 505164894 /nfs/dbraw/zinc/16/48/94/505164894.db2.gz SVWPDPASHHHGJN-XZNOPERXSA-N -1 3 368.474 3.142 20 0 FGADHM O=C(Nc1ccccc1NCC(F)(F)F)c1c[n-]c2ccncc2c1=O ZINC000557565897 505169351 /nfs/dbraw/zinc/16/93/51/505169351.db2.gz OQIVQDNYUGNQMQ-UHFFFAOYSA-N -1 3 362.311 3.150 20 0 FGADHM C[N-]S(=O)(=O)c1cc(NC(=O)[C@@H]2CC[C@H]3CCCC[C@H]3C2)ccc1F ZINC000560719006 505169445 /nfs/dbraw/zinc/16/94/45/505169445.db2.gz AIDJDZFTNWNDQO-HZSPNIEDSA-N -1 3 368.474 3.279 20 0 FGADHM O=C(N=c1cc2ccccn2[n-]1)N1CCO[C@H](c2ccccc2Cl)C1 ZINC000554439931 505174547 /nfs/dbraw/zinc/17/45/47/505174547.db2.gz HGRXZGKJRLAQPW-INIZCTEOSA-N -1 3 356.813 3.015 20 0 FGADHM O=C(NC[C@H](Cc1ccccc1)C(F)(F)F)c1cc(=O)[n-]c(C2CC2)n1 ZINC000566451553 505180081 /nfs/dbraw/zinc/18/00/81/505180081.db2.gz DCRFSEDOCYTJFD-ZDUSSCGKSA-N -1 3 365.355 3.211 20 0 FGADHM Cc1ccc2[n-]cc(C(=O)N(Cc3ccccc3)CC(C)(C)O)c(=O)c2c1 ZINC000557613163 505181954 /nfs/dbraw/zinc/18/19/54/505181954.db2.gz ILHLCZHTCPJARO-UHFFFAOYSA-N -1 3 364.445 3.250 20 0 FGADHM CCOc1cc(CN(C)[C@@H](C)c2nc(C)no2)cc(Br)c1[O-] ZINC000566487591 505188139 /nfs/dbraw/zinc/18/81/39/505188139.db2.gz XOLGQYRYSYBEQM-VIFPVBQESA-N -1 3 370.247 3.438 20 0 FGADHM CN(Cc1ccccc1Br)C(=O)N=c1cc2ccccn2[n-]1 ZINC000554524990 505196735 /nfs/dbraw/zinc/19/67/35/505196735.db2.gz ADXIEAXOQHGXSP-UHFFFAOYSA-N -1 3 359.227 3.183 20 0 FGADHM O=C(N=c1cc2ccccn2[n-]1)NCc1cc(Cl)ccc1OC(F)F ZINC000554527454 505197783 /nfs/dbraw/zinc/19/77/83/505197783.db2.gz FQWYTODFZBXZKJ-UHFFFAOYSA-N -1 3 366.755 3.333 20 0 FGADHM COc1ccc([C@H]2CCCN2C(=O)N=c2cc3ccccn3[n-]2)c(OC)c1 ZINC000554529243 505198577 /nfs/dbraw/zinc/19/85/77/505198577.db2.gz FVEUPZUHMQEVRV-QGZVFWFLSA-N -1 3 366.421 3.142 20 0 FGADHM CN(C)Cc1ccc(S(=O)(=O)[N-]c2ccccc2N2CCCC2)cc1 ZINC000551388507 505215281 /nfs/dbraw/zinc/21/52/81/505215281.db2.gz MAUIKJCHODSOQQ-UHFFFAOYSA-N -1 3 359.495 3.149 20 0 FGADHM Cc1nnc(C[N-]S(=O)(=O)c2ccc(Cl)c3ccccc32)s1 ZINC000557754047 505221667 /nfs/dbraw/zinc/22/16/67/505221667.db2.gz YSFVEMBUFMKQSC-UHFFFAOYSA-N -1 3 353.856 3.132 20 0 FGADHM C[C@@H]1CCn2ncc(C(=O)Nc3ccc(Br)cc3[O-])c2C1 ZINC000566622056 505225189 /nfs/dbraw/zinc/22/51/89/505225189.db2.gz PLAZKZIFOVJNJT-SECBINFHSA-N -1 3 350.216 3.186 20 0 FGADHM CSc1cccc(S(=O)(=O)[N-]c2ccnc(C)c2Br)c1 ZINC000554670367 505237159 /nfs/dbraw/zinc/23/71/59/505237159.db2.gz QBRNWWSALRNTMN-UHFFFAOYSA-N -1 3 373.297 3.097 20 0 FGADHM Cc1ccc2[nH]c(C[N-]S(=O)(=O)c3cc(Cl)ccc3F)nc2c1 ZINC000551515777 505241129 /nfs/dbraw/zinc/24/11/29/505241129.db2.gz ANXPIIWXXPYYNX-UHFFFAOYSA-N -1 3 353.806 3.142 20 0 FGADHM C[C@H]1CC[C@H](c2nc(-c3ccc([C@@]4(C)NC(=O)[N-]C4=O)cc3)no2)CC1 ZINC000563815814 505246836 /nfs/dbraw/zinc/24/68/36/505246836.db2.gz 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CC(C)=CCC[C@@H](C)CC(=O)Nc1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000563959574 505288923 /nfs/dbraw/zinc/28/89/23/505288923.db2.gz JDRSUGBCXKNWIM-VLIAUNLRSA-N -1 3 357.454 3.452 20 0 FGADHM Cn1cc(Br)c(=NC(=O)C(C)(C)c2cccc(Cl)c2F)[n-]1 ZINC000563961110 505290158 /nfs/dbraw/zinc/29/01/58/505290158.db2.gz UCONLYLEWSNNDV-UHFFFAOYSA-N -1 3 374.641 3.313 20 0 FGADHM COc1cc(F)ccc1N1CCN(C(=O)c2cc([O-])ccc2Cl)CC1 ZINC000566869713 505296656 /nfs/dbraw/zinc/29/66/56/505296656.db2.gz VSKVAERTSSFPLN-UHFFFAOYSA-N -1 3 364.804 3.156 20 0 FGADHM O=C(CCCc1ccc([O-])c(F)c1)Nc1nnc(C2CCOCC2)s1 ZINC000566874960 505297453 /nfs/dbraw/zinc/29/74/53/505297453.db2.gz IGBWPEMOOFJBQU-UHFFFAOYSA-N -1 3 365.430 3.238 20 0 FGADHM CC1(C)SC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000554923128 505300060 /nfs/dbraw/zinc/30/00/60/505300060.db2.gz OTASVJSOANPNFA-JTQLQIEISA-N -1 3 370.721 3.275 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]C[C@H]2CCCC(F)(F)C2)c(Cl)c1 ZINC000558090532 505306279 /nfs/dbraw/zinc/30/62/79/505306279.db2.gz 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/nfs/dbraw/zinc/54/25/09/516542509.db2.gz QEENEIQQADLKPZ-UHFFFAOYSA-N -1 3 350.426 3.355 20 0 FGADHM CC[C@@H](C)N(C)CCNC(=O)N=c1[n-]nc(Cc2ccc(C)cc2)s1 ZINC000524166240 516660359 /nfs/dbraw/zinc/66/03/59/516660359.db2.gz BZUBLMWNTDVZNT-CQSZACIVSA-N -1 3 361.515 3.289 20 0 FGADHM O=C(N=c1[n-]nc(-c2ccco2)s1)NC[C@@H]1CCN1C1CCCCC1 ZINC000528925812 516802850 /nfs/dbraw/zinc/80/28/50/516802850.db2.gz YGNZRXAXPCRZGD-ZDUSSCGKSA-N -1 3 361.471 3.327 20 0 FGADHM CC1(c2cc([N-]C(=O)c3cn(Cc4cccs4)nn3)no2)CCCC1 ZINC000515231627 517264648 /nfs/dbraw/zinc/26/46/48/517264648.db2.gz POZKZSKHLDPZID-UHFFFAOYSA-N -1 3 357.439 3.460 20 0 FGADHM C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)N=c2ccc(C3CC3)n[n-]2)C1 ZINC000533442691 517464879 /nfs/dbraw/zinc/46/48/79/517464879.db2.gz ANRPMJQFAHSHTN-WMLDXEAASA-N -1 3 351.454 3.311 20 0 FGADHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1ccnc(OCc2ccccc2)c1 ZINC000527500829 517713171 /nfs/dbraw/zinc/71/31/71/517713171.db2.gz LEJNQHPZFWOHBS-KRWDZBQOSA-N -1 3 364.405 3.488 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)c2cnn(C(C)C)c2)c1-c1ccc2c(c1)OCCO2 ZINC000530350576 517720164 /nfs/dbraw/zinc/72/01/64/517720164.db2.gz TVMDXRLRBUUDGX-UHFFFAOYSA-N -1 3 367.409 3.186 20 0 FGADHM CCS(=O)(=O)c1ccccc1C(=O)N=c1cc(-c2ccccc2C)[n-][nH]1 ZINC000539320501 517991383 /nfs/dbraw/zinc/99/13/83/517991383.db2.gz MGDVVXLNAZFHJM-UHFFFAOYSA-N -1 3 369.446 3.431 20 0 FGADHM Cc1ccc(-c2cc(=NC(=O)c3c(C)nc(C(C)(C)C)nc3O)[nH][n-]2)o1 ZINC000616822937 520162780 /nfs/dbraw/zinc/16/27/80/520162780.db2.gz DSIPWTICEABGCN-UHFFFAOYSA-N -1 3 355.398 3.332 20 0 FGADHM CSc1nc(=O)[n-]c(C)c1C(=O)N=c1cc(C2C(C)(C)C2(C)C)[nH][nH]1 ZINC000616826139 520165276 /nfs/dbraw/zinc/16/52/76/520165276.db2.gz IHMNIEKAVRURRS-UHFFFAOYSA-N -1 3 361.471 3.338 20 0 FGADHM COC(=O)C12CCC(C(=O)N=c3cc(-c4ccccc4OC)[n-][nH]3)(CC1)C2 ZINC000617658778 520628526 /nfs/dbraw/zinc/62/85/26/520628526.db2.gz PLOOGNHIMGLFIU-UHFFFAOYSA-N -1 3 369.421 3.147 20 0 FGADHM CC[C@@H](C(=O)N=c1[n-]n(C)cc1I)c1ccccc1 ZINC000602383294 521311412 /nfs/dbraw/zinc/31/14/12/521311412.db2.gz BOONHALXLFCFGH-LLVKDONJSA-N -1 3 369.206 3.157 20 0 FGADHM CCOCCOCCCC(=O)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1 ZINC000612301222 521567185 /nfs/dbraw/zinc/56/71/85/521567185.db2.gz OGBJNNBJCZBYIH-UHFFFAOYSA-N -1 3 353.369 3.127 20 0 FGADHM CCN=c1[n-]c(C(=O)N2CCC[C@]3(CC(=O)c4ccccc4O3)C2)cs1 ZINC000628737645 521758580 /nfs/dbraw/zinc/75/85/80/521758580.db2.gz QWXNXXMBMTUMHB-IBGZPJMESA-N -1 3 371.462 3.215 20 0 FGADHM COc1cccc(-c2c(C)[n-][nH]c2=NC(=O)[C@H]2CCCc3n[nH]cc32)c1 ZINC000629693120 522397494 /nfs/dbraw/zinc/39/74/94/522397494.db2.gz AVNRGYRWHXIEON-AWEZNQCLSA-N -1 3 351.410 3.175 20 0 FGADHM O=C(CCCc1ccc2c(c1)OCCCO2)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000628032143 523282832 /nfs/dbraw/zinc/28/28/32/523282832.db2.gz OMXYDAZWOJDLLF-INIZCTEOSA-N -1 3 371.437 3.384 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@@H]2CCc3cnc(C)n3C2)c1-c1ccccc1F ZINC000634422749 523395247 /nfs/dbraw/zinc/39/52/47/523395247.db2.gz NVSGWOXJCUSHTO-CYBMUJFWSA-N -1 3 353.401 3.230 20 0 FGADHM COc1cccc(C(=O)N=c2[n-]n(C)cc2Br)c1OC(C)C ZINC000622888511 523530493 /nfs/dbraw/zinc/53/04/93/523530493.db2.gz INJWJOMHAULUOP-UHFFFAOYSA-N -1 3 368.231 3.231 20 0 FGADHM CCC(=O)N1CCC[C@@H](C(=O)N=c2cc(-c3cccc(Cl)c3)[n-][nH]2)C1 ZINC000622891444 523531937 /nfs/dbraw/zinc/53/19/37/523531937.db2.gz ZIQJOKBDTDQDES-CYBMUJFWSA-N -1 3 360.845 3.317 20 0 FGADHM CN(Cc1ccccc1)[C@@H](CNC(=O)N=c1ncn(C(C)(C)C)[n-]1)C1CC1 ZINC000481499090 561234362 /nfs/dbraw/zinc/23/43/62/561234362.db2.gz BLFBEBKZSAKUAZ-KRWDZBQOSA-N -1 3 370.501 3.065 20 0 FGADHM CC[C@@H]1CCCCN1CCNC(=O)N=c1[n-]nc(CC(F)(F)F)s1 ZINC000483992839 561289164 /nfs/dbraw/zinc/28/91/64/561289164.db2.gz HLOYXZDXUOXSJR-SNVBAGLBSA-N -1 3 365.425 3.029 20 0 FGADHM Cc1ccc(S(C)(=O)=O)cc1C(=O)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000497567368 561503988 /nfs/dbraw/zinc/50/39/88/561503988.db2.gz ICDWNBGXHSIIJT-UHFFFAOYSA-N -1 3 355.419 3.041 20 0 FGADHM CN1CCC[C@@H]1C(=O)N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1 ZINC000517425780 562090031 /nfs/dbraw/zinc/09/00/31/562090031.db2.gz VGYLUCLCQUETSD-CYBMUJFWSA-N -1 3 367.222 3.011 20 0 FGADHM COc1cccc(S(=O)(=O)[N-]C[C@H]2SCCc3ccccc32)c1F ZINC000655532277 568394376 /nfs/dbraw/zinc/39/43/76/568394376.db2.gz VCRJAXZKJIMACJ-OAHLLOKOSA-N -1 3 367.467 3.143 20 0 FGADHM CO[C@H](Cc1ccccc1)CS(=O)(=O)[N-]c1ccc2[nH]c(C)cc2c1 ZINC000643269105 568457251 /nfs/dbraw/zinc/45/72/51/568457251.db2.gz VNMRFACLQOBXCC-GOSISDBHSA-N -1 3 358.463 3.476 20 0 FGADHM O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)N1CC(C2CC2)C1 ZINC000643289332 568545560 /nfs/dbraw/zinc/54/55/60/568545560.db2.gz DLNMKZMOTDPAQF-UHFFFAOYSA-N -1 3 374.437 3.109 20 0 FGADHM Cc1ccc(C[C@@H]2CCCN2C(=O)c2sccc2-c2nnn[n-]2)cc1 ZINC000737333944 598825138 /nfs/dbraw/zinc/82/51/38/598825138.db2.gz CWPBQLRRUNKCTG-AWEZNQCLSA-N -1 3 353.451 3.084 20 0 FGADHM Cc1ccc(C[C@@H]2CCCN2C(=O)c2sccc2-c2nn[n-]n2)cc1 ZINC000737333944 598825139 /nfs/dbraw/zinc/82/51/39/598825139.db2.gz CWPBQLRRUNKCTG-AWEZNQCLSA-N -1 3 353.451 3.084 20 0 FGADHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1Cc1cccc(Cl)c1 ZINC000737525602 598827258 /nfs/dbraw/zinc/82/72/58/598827258.db2.gz ULJOZQKJKBKXGX-UHFFFAOYSA-N -1 3 351.801 3.135 20 0 FGADHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1Cc1cccc(Cl)c1 ZINC000737525602 598827259 /nfs/dbraw/zinc/82/72/59/598827259.db2.gz ULJOZQKJKBKXGX-UHFFFAOYSA-N -1 3 351.801 3.135 20 0 FGADHM C[C@@]1(c2ccccc2)CCCN(c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC000736231509 598830101 /nfs/dbraw/zinc/83/01/01/598830101.db2.gz XSLLKYHEHAHOSF-GOSISDBHSA-N -1 3 354.845 3.473 20 0 FGADHM C[C@@]1(c2ccccc2)CCCN(c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC000736231509 598830103 /nfs/dbraw/zinc/83/01/03/598830103.db2.gz XSLLKYHEHAHOSF-GOSISDBHSA-N -1 3 354.845 3.473 20 0 FGADHM CC[C@@H](c1ccncc1)N(CC)C(=O)C=Cc1cccc(-c2nnn[n-]2)c1 ZINC000736395961 598838716 /nfs/dbraw/zinc/83/87/16/598838716.db2.gz KTKDKGYUCPLJBF-BLGFXRMMSA-N -1 3 362.437 3.275 20 0 FGADHM CC[C@@H](c1ccncc1)N(CC)C(=O)C=Cc1cccc(-c2nn[n-]n2)c1 ZINC000736395961 598838717 /nfs/dbraw/zinc/83/87/17/598838717.db2.gz KTKDKGYUCPLJBF-BLGFXRMMSA-N -1 3 362.437 3.275 20 0 FGADHM Cc1nn(-c2ccc(-c3nn[n-]n3)cc2)c(NC(=O)c2ccc(C)cc2)c1C ZINC000737315745 598840026 /nfs/dbraw/zinc/84/00/26/598840026.db2.gz QAWWJSNALSCWHX-UHFFFAOYSA-N -1 3 373.420 3.230 20 0 FGADHM Cc1c[nH]cc1C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000737218535 598846936 /nfs/dbraw/zinc/84/69/36/598846936.db2.gz LAMSMCLHDHPYON-UHFFFAOYSA-N -1 3 364.434 3.162 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)c1cc(Cl)nc(Cl)c1 ZINC000738232927 598847220 /nfs/dbraw/zinc/84/72/20/598847220.db2.gz XPLQEJXBXHSUEC-UHFFFAOYSA-N -1 3 368.155 3.065 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)c1cc(Cl)nc(Cl)c1 ZINC000738232927 598847221 /nfs/dbraw/zinc/84/72/21/598847221.db2.gz XPLQEJXBXHSUEC-UHFFFAOYSA-N -1 3 368.155 3.065 20 0 FGADHM C[C@](O)(CNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1cccs1 ZINC000736143657 598857460 /nfs/dbraw/zinc/85/74/60/598857460.db2.gz VAMCTCIJGLXLMQ-AWEZNQCLSA-N -1 3 369.372 3.267 20 0 FGADHM C[C@](O)(CNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1cccs1 ZINC000736143657 598857462 /nfs/dbraw/zinc/85/74/62/598857462.db2.gz VAMCTCIJGLXLMQ-AWEZNQCLSA-N -1 3 369.372 3.267 20 0 FGADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)OCc1ccc2ncccc2c1 ZINC000737854784 598857552 /nfs/dbraw/zinc/85/75/52/598857552.db2.gz WSMAKEWHODZWIM-UHFFFAOYSA-N -1 3 359.389 3.091 20 0 FGADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)OCc1ccc2ncccc2c1 ZINC000737854784 598857554 /nfs/dbraw/zinc/85/75/54/598857554.db2.gz WSMAKEWHODZWIM-UHFFFAOYSA-N -1 3 359.389 3.091 20 0 FGADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)c1nc(Cc2ccc(F)cc2)no1 ZINC000736168349 598859198 /nfs/dbraw/zinc/85/91/98/598859198.db2.gz JRDRWRCIXAFWTP-LLVKDONJSA-N -1 3 366.356 3.120 20 0 FGADHM O=C(COc1ccc(-c2nn[n-]n2)cc1)OCCc1ccc2ccccc2c1 ZINC000737919557 598881963 /nfs/dbraw/zinc/88/19/63/598881963.db2.gz VFAZNEKJGDJXCO-UHFFFAOYSA-N -1 3 374.400 3.185 20 0 FGADHM COC(=O)[C@@H](N[C@@H](C)c1ccc(C)c(C)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736896515 598883222 /nfs/dbraw/zinc/88/32/22/598883222.db2.gz OEYRNIUNZCECOS-KSSFIOAISA-N -1 3 365.437 3.048 20 0 FGADHM COC(=O)[C@@H](N[C@@H](C)c1ccc(C)c(C)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736896515 598883225 /nfs/dbraw/zinc/88/32/25/598883225.db2.gz OEYRNIUNZCECOS-KSSFIOAISA-N -1 3 365.437 3.048 20 0 FGADHM CCc1ccc(C(=O)O[C@@H](C)COc2cccc(-c3nnn[n-]3)c2)s1 ZINC000736689715 598884905 /nfs/dbraw/zinc/88/49/05/598884905.db2.gz SHNDBZIDJVXEAF-NSHDSACASA-N -1 3 358.423 3.115 20 0 FGADHM CCc1ccc(C(=O)O[C@@H](C)COc2cccc(-c3nn[n-]n3)c2)s1 ZINC000736689715 598884906 /nfs/dbraw/zinc/88/49/06/598884906.db2.gz SHNDBZIDJVXEAF-NSHDSACASA-N -1 3 358.423 3.115 20 0 FGADHM C[C@@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)c1coc2ccccc12 ZINC000736040134 598887948 /nfs/dbraw/zinc/88/79/48/598887948.db2.gz NCQKVSBKPJNJCF-LBPRGKRZSA-N -1 3 364.361 3.237 20 0 FGADHM C[C@@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)c1coc2ccccc12 ZINC000736040134 598887950 /nfs/dbraw/zinc/88/79/50/598887950.db2.gz NCQKVSBKPJNJCF-LBPRGKRZSA-N -1 3 364.361 3.237 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NCCc1cc2ccccc2o1 ZINC000737294421 598905556 /nfs/dbraw/zinc/90/55/56/598905556.db2.gz NODCUPVLMYCFFJ-UHFFFAOYSA-N -1 3 362.393 3.286 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NCCc1cc2ccccc2o1 ZINC000737294421 598905558 /nfs/dbraw/zinc/90/55/58/598905558.db2.gz NODCUPVLMYCFFJ-UHFFFAOYSA-N -1 3 362.393 3.286 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCc2c(Cl)cccc2C1 ZINC000737293033 598905659 /nfs/dbraw/zinc/90/56/59/598905659.db2.gz YTSOUCRSAOOROU-UHFFFAOYSA-N -1 3 368.828 3.419 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCc2c(Cl)cccc2C1 ZINC000737293033 598905660 /nfs/dbraw/zinc/90/56/60/598905660.db2.gz YTSOUCRSAOOROU-UHFFFAOYSA-N -1 3 368.828 3.419 20 0 FGADHM COc1ccc(Cl)cc1N(C)C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000737098356 598906037 /nfs/dbraw/zinc/90/60/37/598906037.db2.gz BXLNUDVIBAPRHR-YFHOEESVSA-N -1 3 369.812 3.205 20 0 FGADHM COc1ccc(Cl)cc1N(C)C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000737098356 598906038 /nfs/dbraw/zinc/90/60/38/598906038.db2.gz BXLNUDVIBAPRHR-YFHOEESVSA-N -1 3 369.812 3.205 20 0 FGADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCCCC[C@H]1C ZINC000735734203 598906610 /nfs/dbraw/zinc/90/66/10/598906610.db2.gz LWADWISSVBNVPU-PBHICJAKSA-N -1 3 357.458 3.061 20 0 FGADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCCCC[C@H]1C ZINC000735734203 598906611 /nfs/dbraw/zinc/90/66/11/598906611.db2.gz LWADWISSVBNVPU-PBHICJAKSA-N -1 3 357.458 3.061 20 0 FGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N[C@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000738178128 598913255 /nfs/dbraw/zinc/91/32/55/598913255.db2.gz FDUVJXYJZQOXJK-FZMZJTMJSA-N -1 3 372.791 3.337 20 0 FGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N[C@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000738178128 598913257 /nfs/dbraw/zinc/91/32/57/598913257.db2.gz FDUVJXYJZQOXJK-FZMZJTMJSA-N -1 3 372.791 3.337 20 0 FGADHM CCCCCNC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000736451189 598926044 /nfs/dbraw/zinc/92/60/44/598926044.db2.gz KCXUWRIWANTYRF-UHFFFAOYSA-N -1 3 365.437 3.366 20 0 FGADHM CCCCCNC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000736451189 598926045 /nfs/dbraw/zinc/92/60/45/598926045.db2.gz KCXUWRIWANTYRF-UHFFFAOYSA-N -1 3 365.437 3.366 20 0 FGADHM CC[C@H](C)NC(=O)c1ccc(Nc2ncc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000736323232 598938630 /nfs/dbraw/zinc/93/86/30/598938630.db2.gz CTEQNHLBDGYQOY-JTQLQIEISA-N -1 3 371.832 3.187 20 0 FGADHM CC[C@H](C)NC(=O)c1ccc(Nc2ncc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000736323232 598938632 /nfs/dbraw/zinc/93/86/32/598938632.db2.gz CTEQNHLBDGYQOY-JTQLQIEISA-N -1 3 371.832 3.187 20 0 FGADHM COc1ccc(SCCOc2ccc(-c3nnn[n-]3)cc2OC)cc1 ZINC000737114615 598938840 /nfs/dbraw/zinc/93/88/40/598938840.db2.gz HYIQOVGPZXSQPV-UHFFFAOYSA-N -1 3 358.423 3.055 20 0 FGADHM COc1ccc(SCCOc2ccc(-c3nn[n-]n3)cc2OC)cc1 ZINC000737114615 598938841 /nfs/dbraw/zinc/93/88/41/598938841.db2.gz HYIQOVGPZXSQPV-UHFFFAOYSA-N -1 3 358.423 3.055 20 0 FGADHM Cc1cccc(C)c1OC[C@H](C)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC000737391383 598938870 /nfs/dbraw/zinc/93/88/70/598938870.db2.gz YZPNXYLESJQIRU-LBPRGKRZSA-N -1 3 358.833 3.411 20 0 FGADHM Cc1cccc(C)c1OC[C@H](C)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC000737391383 598938872 /nfs/dbraw/zinc/93/88/72/598938872.db2.gz YZPNXYLESJQIRU-LBPRGKRZSA-N -1 3 358.833 3.411 20 0 FGADHM Fc1cc(Nc2ncc(-c3nnn[n-]3)cc2Cl)ccc1N1CCCC1 ZINC000737653335 598939485 /nfs/dbraw/zinc/93/94/85/598939485.db2.gz RAWUMWUFQZVADF-UHFFFAOYSA-N -1 3 359.796 3.398 20 0 FGADHM Fc1cc(Nc2ncc(-c3nn[n-]n3)cc2Cl)ccc1N1CCCC1 ZINC000737653335 598939487 /nfs/dbraw/zinc/93/94/87/598939487.db2.gz RAWUMWUFQZVADF-UHFFFAOYSA-N -1 3 359.796 3.398 20 0 FGADHM CC(C)C[C@H](C(=O)NCc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000735756148 598940501 /nfs/dbraw/zinc/94/05/01/598940501.db2.gz LWDJYXHWPNYGTB-KRWDZBQOSA-N -1 3 367.428 3.452 20 0 FGADHM CC(C)C[C@H](C(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000735756148 598940502 /nfs/dbraw/zinc/94/05/02/598940502.db2.gz LWDJYXHWPNYGTB-KRWDZBQOSA-N -1 3 367.428 3.452 20 0 FGADHM CC[C@H]1CCC[C@@H](NC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736396631 598942295 /nfs/dbraw/zinc/94/22/95/598942295.db2.gz OBJAXSVFSAEQRI-XJKSGUPXSA-N -1 3 359.499 3.185 20 0 FGADHM CC[C@H]1CCC[C@@H](NC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736396631 598942296 /nfs/dbraw/zinc/94/22/96/598942296.db2.gz OBJAXSVFSAEQRI-XJKSGUPXSA-N -1 3 359.499 3.185 20 0 FGADHM Cc1ccc(C[C@@H]2CCCN2c2ncc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000737336117 598942785 /nfs/dbraw/zinc/94/27/85/598942785.db2.gz XKMDQDWLCPOMGJ-HNNXBMFYSA-N -1 3 354.845 3.435 20 0 FGADHM Cc1ccc(C[C@@H]2CCCN2c2ncc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000737336117 598942787 /nfs/dbraw/zinc/94/27/87/598942787.db2.gz XKMDQDWLCPOMGJ-HNNXBMFYSA-N -1 3 354.845 3.435 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)Oc1ccccc1C(C)C ZINC000737304194 598949536 /nfs/dbraw/zinc/94/95/36/598949536.db2.gz VDLUXMYRHXLISW-UHFFFAOYSA-N -1 3 358.423 3.066 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)Oc1ccccc1C(C)C ZINC000737304194 598949537 /nfs/dbraw/zinc/94/95/37/598949537.db2.gz VDLUXMYRHXLISW-UHFFFAOYSA-N -1 3 358.423 3.066 20 0 FGADHM Cc1sc(NC(=O)C2(c3cccc(F)c3)CC2)c(-c2nnn[n-]2)c1C ZINC000737564536 598980626 /nfs/dbraw/zinc/98/06/26/598980626.db2.gz VMGOYRIVCBSDKO-UHFFFAOYSA-N -1 3 357.414 3.354 20 0 FGADHM Cc1sc(NC(=O)C2(c3cccc(F)c3)CC2)c(-c2nn[n-]n2)c1C ZINC000737564536 598980627 /nfs/dbraw/zinc/98/06/27/598980627.db2.gz VMGOYRIVCBSDKO-UHFFFAOYSA-N -1 3 357.414 3.354 20 0 FGADHM S=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N(CC1CC1)CC1CC1 ZINC000738401696 599015059 /nfs/dbraw/zinc/01/50/59/599015059.db2.gz RQTZHCDQIXLWFG-UHFFFAOYSA-N -1 3 362.890 3.339 20 0 FGADHM S=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N(CC1CC1)CC1CC1 ZINC000738401696 599015061 /nfs/dbraw/zinc/01/50/61/599015061.db2.gz RQTZHCDQIXLWFG-UHFFFAOYSA-N -1 3 362.890 3.339 20 0 FGADHM O=C(c1sccc1-c1nnn[n-]1)N(Cc1ccc(F)cc1)CC1CC1 ZINC000738293485 599016335 /nfs/dbraw/zinc/01/63/35/599016335.db2.gz WZDVZVMFJVITBP-UHFFFAOYSA-N -1 3 357.414 3.120 20 0 FGADHM O=C(c1sccc1-c1nn[n-]n1)N(Cc1ccc(F)cc1)CC1CC1 ZINC000738293485 599016336 /nfs/dbraw/zinc/01/63/36/599016336.db2.gz WZDVZVMFJVITBP-UHFFFAOYSA-N -1 3 357.414 3.120 20 0 FGADHM C[C@H]1CCC[C@H](CCNC(=O)CSc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736247710 599016502 /nfs/dbraw/zinc/01/65/02/599016502.db2.gz GUFVIWMQZKQHRE-UONOGXRCSA-N -1 3 359.499 3.291 20 0 FGADHM C[C@H]1CCC[C@H](CCNC(=O)CSc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736247710 599016504 /nfs/dbraw/zinc/01/65/04/599016504.db2.gz GUFVIWMQZKQHRE-UONOGXRCSA-N -1 3 359.499 3.291 20 0 FGADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)NC1(c2cccc(Cl)c2)CC1 ZINC000738117397 599023171 /nfs/dbraw/zinc/02/31/71/599023171.db2.gz QTFJIIOJQACTHH-UHFFFAOYSA-N -1 3 368.828 3.009 20 0 FGADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)NC1(c2cccc(Cl)c2)CC1 ZINC000738117397 599023173 /nfs/dbraw/zinc/02/31/73/599023173.db2.gz QTFJIIOJQACTHH-UHFFFAOYSA-N -1 3 368.828 3.009 20 0 FGADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCCCC2)c1ccncc1F ZINC000738212647 599035425 /nfs/dbraw/zinc/03/54/25/599035425.db2.gz YLFQTICPTHCFLK-UHFFFAOYSA-N -1 3 372.429 3.374 20 0 FGADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCCCC2)c1ccncc1F ZINC000738212647 599035428 /nfs/dbraw/zinc/03/54/28/599035428.db2.gz YLFQTICPTHCFLK-UHFFFAOYSA-N -1 3 372.429 3.374 20 0 FGADHM Fc1cccc(F)c1CCNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000737662291 599048168 /nfs/dbraw/zinc/04/81/68/599048168.db2.gz SYGKALDNARAIRS-UHFFFAOYSA-N -1 3 370.285 3.213 20 0 FGADHM Fc1cccc(F)c1CCNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000737662291 599048170 /nfs/dbraw/zinc/04/81/70/599048170.db2.gz SYGKALDNARAIRS-UHFFFAOYSA-N -1 3 370.285 3.213 20 0 FGADHM C[C@H](COc1ccccc1)Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000736040128 599048289 /nfs/dbraw/zinc/04/82/89/599048289.db2.gz MZJSRPRNGKQTNA-SNVBAGLBSA-N -1 3 364.331 3.160 20 0 FGADHM C[C@H](COc1ccccc1)Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000736040128 599048291 /nfs/dbraw/zinc/04/82/91/599048291.db2.gz MZJSRPRNGKQTNA-SNVBAGLBSA-N -1 3 364.331 3.160 20 0 FGADHM Cc1sc(NC(=O)CNc2cccc(-c3nnn[n-]3)c2C)c(C)c1C ZINC000822563197 607257824 /nfs/dbraw/zinc/25/78/24/607257824.db2.gz GYNCZIGUHCTREK-UHFFFAOYSA-N -1 3 356.455 3.212 20 0 FGADHM Cc1sc(NC(=O)CNc2cccc(-c3nn[n-]n3)c2C)c(C)c1C ZINC000822563197 607257825 /nfs/dbraw/zinc/25/78/25/607257825.db2.gz GYNCZIGUHCTREK-UHFFFAOYSA-N -1 3 356.455 3.212 20 0 FGADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(N2CC[C@H](c3ccccc3)C2)n1 ZINC000737631498 599049502 /nfs/dbraw/zinc/04/95/02/599049502.db2.gz FFBWWSOKQAUJKM-LBPRGKRZSA-N -1 3 360.343 3.274 20 0 FGADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(N2CC[C@H](c3ccccc3)C2)n1 ZINC000737631498 599049505 /nfs/dbraw/zinc/04/95/05/599049505.db2.gz FFBWWSOKQAUJKM-LBPRGKRZSA-N -1 3 360.343 3.274 20 0 FGADHM CC[C@H]1CCCCN1C(=O)[C@H](C)Sc1ccc(-c2nnn[n-]2)cc1F ZINC000736399660 599063801 /nfs/dbraw/zinc/06/38/01/599063801.db2.gz JOSCKZFBTJIUHR-AAEUAGOBSA-N -1 3 363.462 3.278 20 0 FGADHM CC[C@H]1CCCCN1C(=O)[C@H](C)Sc1ccc(-c2nn[n-]n2)cc1F ZINC000736399660 599063804 /nfs/dbraw/zinc/06/38/04/599063804.db2.gz JOSCKZFBTJIUHR-AAEUAGOBSA-N -1 3 363.462 3.278 20 0 FGADHM C[C@H](CNc1nc2c(cc1-c1nnn[n-]1)CCC2)Oc1ccccc1Cl ZINC000820281228 599064018 /nfs/dbraw/zinc/06/40/18/599064018.db2.gz UGOXCRLPNLNHFQ-LLVKDONJSA-N -1 3 370.844 3.283 20 0 FGADHM C[C@H](CNc1nc2c(cc1-c1nn[n-]n1)CCC2)Oc1ccccc1Cl ZINC000820281228 599064021 /nfs/dbraw/zinc/06/40/21/599064021.db2.gz UGOXCRLPNLNHFQ-LLVKDONJSA-N -1 3 370.844 3.283 20 0 FGADHM O=C(NC1CC1)[C@H](Sc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000738019740 599064781 /nfs/dbraw/zinc/06/47/81/599064781.db2.gz LZRABCQOCKXKHX-MRXNPFEDSA-N -1 3 369.425 3.118 20 0 FGADHM O=C(NC1CC1)[C@H](Sc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000738019740 599064783 /nfs/dbraw/zinc/06/47/83/599064783.db2.gz LZRABCQOCKXKHX-MRXNPFEDSA-N -1 3 369.425 3.118 20 0 FGADHM CCCCC[C@@H](C)NC(=O)CSc1ccc(-c2nnn[n-]2)cc1F ZINC000736440164 599065114 /nfs/dbraw/zinc/06/51/14/599065114.db2.gz ALKBSQQFLSKXOX-LLVKDONJSA-N -1 3 351.451 3.183 20 0 FGADHM CCCCC[C@@H](C)NC(=O)CSc1ccc(-c2nn[n-]n2)cc1F ZINC000736440164 599065117 /nfs/dbraw/zinc/06/51/17/599065117.db2.gz ALKBSQQFLSKXOX-LLVKDONJSA-N -1 3 351.451 3.183 20 0 FGADHM CCc1ccc(CC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)cc1 ZINC000736682145 599072125 /nfs/dbraw/zinc/07/21/25/599072125.db2.gz GWFSMTZBWVRICZ-UHFFFAOYSA-N -1 3 373.363 3.212 20 0 FGADHM CCc1ccc(CC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)cc1 ZINC000736682145 599072128 /nfs/dbraw/zinc/07/21/28/599072128.db2.gz GWFSMTZBWVRICZ-UHFFFAOYSA-N -1 3 373.363 3.212 20 0 FGADHM C[C@@H]1CCC[C@H](C(=O)N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC000736245267 599074083 /nfs/dbraw/zinc/07/40/83/599074083.db2.gz RQSGPZANZVDAPT-ZBFHGGJFSA-N -1 3 369.469 3.063 20 0 FGADHM C[C@@H]1CCC[C@@H](C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)C1 ZINC000736244759 599074285 /nfs/dbraw/zinc/07/42/85/599074285.db2.gz MXUXREVWVZFNBN-MWLCHTKSSA-N -1 3 351.357 3.233 20 0 FGADHM C[C@@H]1CCC[C@@H](C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)C1 ZINC000736244759 599074287 /nfs/dbraw/zinc/07/42/87/599074287.db2.gz MXUXREVWVZFNBN-MWLCHTKSSA-N -1 3 351.357 3.233 20 0 FGADHM C[C@@H]1CCC[C@@H](C(=O)N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC000736245260 599074673 /nfs/dbraw/zinc/07/46/73/599074673.db2.gz RQSGPZANZVDAPT-GDBMZVCRSA-N -1 3 369.469 3.063 20 0 FGADHM C[C@@H]1CCCN(C(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)[C@@H]1C ZINC000736267153 599082515 /nfs/dbraw/zinc/08/25/15/599082515.db2.gz QHLOUOJMCAKSHS-HUUCEWRRSA-N -1 3 357.458 3.063 20 0 FGADHM C[C@@H]1CCCN(C(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)[C@@H]1C ZINC000736267153 599082517 /nfs/dbraw/zinc/08/25/17/599082517.db2.gz QHLOUOJMCAKSHS-HUUCEWRRSA-N -1 3 357.458 3.063 20 0 FGADHM c1ccc2c(c1)CCO[C@@H]2CSCCOc1ccccc1-c1nnn[n-]1 ZINC000738443600 599100524 /nfs/dbraw/zinc/10/05/24/599100524.db2.gz YTRPQAFVELAUPB-GOSISDBHSA-N -1 3 368.462 3.293 20 0 FGADHM c1ccc2c(c1)CCO[C@@H]2CSCCOc1ccccc1-c1nn[n-]n1 ZINC000738443600 599100526 /nfs/dbraw/zinc/10/05/26/599100526.db2.gz YTRPQAFVELAUPB-GOSISDBHSA-N -1 3 368.462 3.293 20 0 FGADHM Cc1ccnc(-c2cccc(NC(=O)Nc3ccc(-c4nnn[n-]4)cc3)c2)n1 ZINC000737437221 599102095 /nfs/dbraw/zinc/10/20/95/599102095.db2.gz MKMKTCACYIRDRY-UHFFFAOYSA-N -1 3 372.392 3.276 20 0 FGADHM Cc1ccnc(-c2cccc(NC(=O)Nc3ccc(-c4nn[n-]n4)cc3)c2)n1 ZINC000737437221 599102096 /nfs/dbraw/zinc/10/20/96/599102096.db2.gz MKMKTCACYIRDRY-UHFFFAOYSA-N -1 3 372.392 3.276 20 0 FGADHM FC(F)Oc1cc(-c2nnn[n-]2)ccc1CSC[C@@H]1CCCOC1 ZINC000822732612 607258552 /nfs/dbraw/zinc/25/85/52/607258552.db2.gz MHVIZFPMNPENDX-SNVBAGLBSA-N -1 3 356.398 3.128 20 0 FGADHM FC(F)Oc1cc(-c2nn[n-]n2)ccc1CSC[C@@H]1CCCOC1 ZINC000822732612 607258553 /nfs/dbraw/zinc/25/85/53/607258553.db2.gz MHVIZFPMNPENDX-SNVBAGLBSA-N -1 3 356.398 3.128 20 0 FGADHM CCN(Cc1ccccc1)C(=O)[C@H](C)Sc1ccccc1-c1nnn[n-]1 ZINC000736558507 599110389 /nfs/dbraw/zinc/11/03/89/599110389.db2.gz NFOYMZBPNAQSQA-AWEZNQCLSA-N -1 3 367.478 3.396 20 0 FGADHM CCN(Cc1ccccc1)C(=O)[C@H](C)Sc1ccccc1-c1nn[n-]n1 ZINC000736558507 599110391 /nfs/dbraw/zinc/11/03/91/599110391.db2.gz NFOYMZBPNAQSQA-AWEZNQCLSA-N -1 3 367.478 3.396 20 0 FGADHM COC(=O)[C@@H](Sc1ccc(C)cc1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736902559 599112165 /nfs/dbraw/zinc/11/21/65/599112165.db2.gz VUWMQMUCYVKSHD-INIZCTEOSA-N -1 3 354.435 3.490 20 0 FGADHM COC(=O)[C@@H](Sc1ccc(C)cc1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736902559 599112166 /nfs/dbraw/zinc/11/21/66/599112166.db2.gz VUWMQMUCYVKSHD-INIZCTEOSA-N -1 3 354.435 3.490 20 0 FGADHM CCOCc1ccc(CNc2c(-c3nnn[n-]3)cnc3c(C)cccc32)cc1 ZINC000736625712 599120403 /nfs/dbraw/zinc/12/04/03/599120403.db2.gz LBBVBJDJKWGTCQ-UHFFFAOYSA-N -1 3 374.448 3.294 20 0 FGADHM CCOCc1ccc(CNc2c(-c3nn[n-]n3)cnc3c(C)cccc32)cc1 ZINC000736625712 599120405 /nfs/dbraw/zinc/12/04/05/599120405.db2.gz LBBVBJDJKWGTCQ-UHFFFAOYSA-N -1 3 374.448 3.294 20 0 FGADHM FC(F)(F)COc1ccccc1COc1ccccc1-c1nnn[n-]1 ZINC000822718271 599124381 /nfs/dbraw/zinc/12/43/81/599124381.db2.gz GINYAVDGQXHFOY-UHFFFAOYSA-N -1 3 350.300 3.387 20 0 FGADHM FC(F)(F)COc1ccccc1COc1ccccc1-c1nn[n-]n1 ZINC000822718271 599124382 /nfs/dbraw/zinc/12/43/82/599124382.db2.gz GINYAVDGQXHFOY-UHFFFAOYSA-N -1 3 350.300 3.387 20 0 FGADHM CC(C)(C)c1ncc(C=CC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)s1 ZINC000819966073 599150488 /nfs/dbraw/zinc/15/04/88/599150488.db2.gz VKBHASMMGONVEV-ALCCZGGFSA-N -1 3 372.429 3.412 20 0 FGADHM CC(C)(C)c1ncc(C=CC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)s1 ZINC000819966073 599150489 /nfs/dbraw/zinc/15/04/89/599150489.db2.gz VKBHASMMGONVEV-ALCCZGGFSA-N -1 3 372.429 3.412 20 0 FGADHM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820939549 599151182 /nfs/dbraw/zinc/15/11/82/599151182.db2.gz WFBWFYYTDZAEKW-KFNAQCHYSA-N -1 3 361.421 3.318 20 0 FGADHM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820939549 599151184 /nfs/dbraw/zinc/15/11/84/599151184.db2.gz WFBWFYYTDZAEKW-KFNAQCHYSA-N -1 3 361.421 3.318 20 0 FGADHM C[C@@H](CC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1)c1cccc(F)c1 ZINC000735977798 599159428 /nfs/dbraw/zinc/15/94/28/599159428.db2.gz XWOLYTOKMVHHOE-ZDUSSCGKSA-N -1 3 353.401 3.158 20 0 FGADHM C[C@@H](CC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1)c1cccc(F)c1 ZINC000735977798 599159431 /nfs/dbraw/zinc/15/94/31/599159431.db2.gz XWOLYTOKMVHHOE-ZDUSSCGKSA-N -1 3 353.401 3.158 20 0 FGADHM C[C@@H](CC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1)c1cccc(F)c1 ZINC000735975920 599159943 /nfs/dbraw/zinc/15/99/43/599159943.db2.gz QWLKVLFNKLYJSJ-ZDUSSCGKSA-N -1 3 353.401 3.158 20 0 FGADHM C[C@@H](CC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1)c1cccc(F)c1 ZINC000735975920 599159944 /nfs/dbraw/zinc/15/99/44/599159944.db2.gz QWLKVLFNKLYJSJ-ZDUSSCGKSA-N -1 3 353.401 3.158 20 0 FGADHM Clc1ccccc1OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000737585009 599160478 /nfs/dbraw/zinc/16/04/78/599160478.db2.gz WNMZRZICVNCSIV-UHFFFAOYSA-N -1 3 354.757 3.149 20 0 FGADHM Clc1ccccc1OCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000737585009 599160483 /nfs/dbraw/zinc/16/04/83/599160483.db2.gz WNMZRZICVNCSIV-UHFFFAOYSA-N -1 3 354.757 3.149 20 0 FGADHM Fc1ccc(F)c(SCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)c1 ZINC000737658039 599162891 /nfs/dbraw/zinc/16/28/91/599162891.db2.gz BXCQRTJFIHSKIY-UHFFFAOYSA-N -1 3 372.360 3.487 20 0 FGADHM Fc1ccc(F)c(SCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)c1 ZINC000737658039 599162894 /nfs/dbraw/zinc/16/28/94/599162894.db2.gz BXCQRTJFIHSKIY-UHFFFAOYSA-N -1 3 372.360 3.487 20 0 FGADHM Cc1ccccc1CN(C)C(=O)CSc1ccc(-c2nnn[n-]2)cc1F ZINC000737427231 599171779 /nfs/dbraw/zinc/17/17/79/599171779.db2.gz BMBFETOHVLPAKU-UHFFFAOYSA-N -1 3 371.441 3.065 20 0 FGADHM Cc1ccccc1CN(C)C(=O)CSc1ccc(-c2nn[n-]n2)cc1F ZINC000737427231 599171781 /nfs/dbraw/zinc/17/17/81/599171781.db2.gz BMBFETOHVLPAKU-UHFFFAOYSA-N -1 3 371.441 3.065 20 0 FGADHM S=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CCC[C@H]2CCC[C@@H]21 ZINC000738400556 599176498 /nfs/dbraw/zinc/17/64/98/599176498.db2.gz GKDBPVDBUBTPEW-YGRLFVJLSA-N -1 3 362.890 3.481 20 0 FGADHM S=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CCC[C@H]2CCC[C@@H]21 ZINC000738400556 599176501 /nfs/dbraw/zinc/17/65/01/599176501.db2.gz GKDBPVDBUBTPEW-YGRLFVJLSA-N -1 3 362.890 3.481 20 0 FGADHM COc1ccc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(C)C)c(C)c1 ZINC000737072018 599185507 /nfs/dbraw/zinc/18/55/07/599185507.db2.gz OCQDCTFHYOFOIO-UHFFFAOYSA-N -1 3 367.409 3.223 20 0 FGADHM COc1ccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(C)C)c(C)c1 ZINC000737072018 599185510 /nfs/dbraw/zinc/18/55/10/599185510.db2.gz OCQDCTFHYOFOIO-UHFFFAOYSA-N -1 3 367.409 3.223 20 0 FGADHM CCCC(C)(C)NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000736417423 599187511 /nfs/dbraw/zinc/18/75/11/599187511.db2.gz RSITWXWOKRYTFQ-UHFFFAOYSA-N -1 3 354.361 3.168 20 0 FGADHM CCCC(C)(C)NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000736417423 599187513 /nfs/dbraw/zinc/18/75/13/599187513.db2.gz RSITWXWOKRYTFQ-UHFFFAOYSA-N -1 3 354.361 3.168 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc(-c2ccccc2)n1C ZINC000737295671 599187551 /nfs/dbraw/zinc/18/75/51/599187551.db2.gz YTUBMTJHVPLOMN-UHFFFAOYSA-N -1 3 358.405 3.433 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(-c2ccccc2)n1C ZINC000737295671 599187553 /nfs/dbraw/zinc/18/75/53/599187553.db2.gz YTUBMTJHVPLOMN-UHFFFAOYSA-N -1 3 358.405 3.433 20 0 FGADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCC(C2CCCC2)CC1 ZINC000820533222 599192740 /nfs/dbraw/zinc/19/27/40/599192740.db2.gz BZQZZTKPWYNLOB-AWEZNQCLSA-N -1 3 369.469 3.063 20 0 FGADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCC(C2CCCC2)CC1 ZINC000820533222 599192742 /nfs/dbraw/zinc/19/27/42/599192742.db2.gz BZQZZTKPWYNLOB-AWEZNQCLSA-N -1 3 369.469 3.063 20 0 FGADHM CC(C)c1ccc(CCCNC(=O)c2sccc2-c2nnn[n-]2)cc1 ZINC000735923047 599196233 /nfs/dbraw/zinc/19/62/33/599196233.db2.gz JJCTZBOJQPLPPU-UHFFFAOYSA-N -1 3 355.467 3.414 20 0 FGADHM CC(C)c1ccc(CCCNC(=O)c2sccc2-c2nn[n-]n2)cc1 ZINC000735923047 599196238 /nfs/dbraw/zinc/19/62/38/599196238.db2.gz JJCTZBOJQPLPPU-UHFFFAOYSA-N -1 3 355.467 3.414 20 0 FGADHM Cc1ccc2[nH]c(C(=O)N(C)Cc3cccc(-c4nnn[n-]4)c3)cc2c1C ZINC000737372214 599200573 /nfs/dbraw/zinc/20/05/73/599200573.db2.gz BGUHYXHWAWFMKZ-UHFFFAOYSA-N -1 3 360.421 3.237 20 0 FGADHM Cc1ccc2[nH]c(C(=O)N(C)Cc3cccc(-c4nn[n-]n4)c3)cc2c1C ZINC000737372214 599200574 /nfs/dbraw/zinc/20/05/74/599200574.db2.gz BGUHYXHWAWFMKZ-UHFFFAOYSA-N -1 3 360.421 3.237 20 0 FGADHM Cc1ccc2[nH]c(C(=O)N[C@@H](C)c3ccc(-c4nnn[n-]4)cc3)cc2c1C ZINC000737372330 599201058 /nfs/dbraw/zinc/20/10/58/599201058.db2.gz DJIAQXLLOFSBKO-ZDUSSCGKSA-N -1 3 360.421 3.456 20 0 FGADHM Cc1ccc2[nH]c(C(=O)N[C@@H](C)c3ccc(-c4nn[n-]n4)cc3)cc2c1C ZINC000737372330 599201060 /nfs/dbraw/zinc/20/10/60/599201060.db2.gz DJIAQXLLOFSBKO-ZDUSSCGKSA-N -1 3 360.421 3.456 20 0 FGADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)Nc1cccc(Oc2ccccn2)c1 ZINC000823078166 599221708 /nfs/dbraw/zinc/22/17/08/599221708.db2.gz HBQHQSPTDGCUBH-UHFFFAOYSA-N -1 3 372.388 3.235 20 0 FGADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)Nc1cccc(Oc2ccccn2)c1 ZINC000823078166 599221709 /nfs/dbraw/zinc/22/17/09/599221709.db2.gz HBQHQSPTDGCUBH-UHFFFAOYSA-N -1 3 372.388 3.235 20 0 FGADHM CCS[C@H]1CC[C@H](N(C)C(=S)Nc2ccccc2-c2nnn[n-]2)C1 ZINC000821449422 599230945 /nfs/dbraw/zinc/23/09/45/599230945.db2.gz TWOYPKVFJWFEAF-RYUDHWBXSA-N -1 3 362.528 3.170 20 0 FGADHM CCS[C@H]1CC[C@H](N(C)C(=S)Nc2ccccc2-c2nn[n-]n2)C1 ZINC000821449422 599230947 /nfs/dbraw/zinc/23/09/47/599230947.db2.gz TWOYPKVFJWFEAF-RYUDHWBXSA-N -1 3 362.528 3.170 20 0 FGADHM C[C@@H]1C[C@H]1[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)cn1)c1ccc(Cl)cc1 ZINC000736234772 599226727 /nfs/dbraw/zinc/22/67/27/599226727.db2.gz KJFXHZUHBIKSTN-HQQWDMGQSA-N -1 3 368.828 3.042 20 0 FGADHM C[C@@H]1C[C@H]1[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)cn1)c1ccc(Cl)cc1 ZINC000736234772 599226729 /nfs/dbraw/zinc/22/67/29/599226729.db2.gz KJFXHZUHBIKSTN-HQQWDMGQSA-N -1 3 368.828 3.042 20 0 FGADHM Cc1cccc([C@@H](C)SCC(=O)NCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822288806 599227028 /nfs/dbraw/zinc/22/70/28/599227028.db2.gz JWROKVFKCKVSHB-CQSZACIVSA-N -1 3 367.478 3.286 20 0 FGADHM Cc1cccc([C@@H](C)SCC(=O)NCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822288806 599227030 /nfs/dbraw/zinc/22/70/30/599227030.db2.gz JWROKVFKCKVSHB-CQSZACIVSA-N -1 3 367.478 3.286 20 0 FGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N[C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000737944268 599227499 /nfs/dbraw/zinc/22/74/99/599227499.db2.gz ZSDMMHDOKUODEZ-BPLDGKMQSA-N -1 3 357.483 3.044 20 0 FGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N[C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000737944268 599227503 /nfs/dbraw/zinc/22/75/03/599227503.db2.gz ZSDMMHDOKUODEZ-BPLDGKMQSA-N -1 3 357.483 3.044 20 0 FGADHM O=C(c1ncc(-c2nnn[n-]2)cc1Cl)N1CCCCC[C@H]1c1ccco1 ZINC000823497910 607264330 /nfs/dbraw/zinc/26/43/30/607264330.db2.gz AHFCGNIAJRIVGV-ZDUSSCGKSA-N -1 3 372.816 3.266 20 0 FGADHM O=C(c1ncc(-c2nn[n-]n2)cc1Cl)N1CCCCC[C@H]1c1ccco1 ZINC000823497910 607264331 /nfs/dbraw/zinc/26/43/31/607264331.db2.gz AHFCGNIAJRIVGV-ZDUSSCGKSA-N -1 3 372.816 3.266 20 0 FGADHM O=C(Nc1ccccc1CC(F)(F)F)c1sccc1-c1nnn[n-]1 ZINC000738191696 599227746 /nfs/dbraw/zinc/22/77/46/599227746.db2.gz UOQKLNAGLQEJAR-UHFFFAOYSA-N -1 3 353.329 3.285 20 0 FGADHM O=C(Nc1ccccc1CC(F)(F)F)c1sccc1-c1nn[n-]n1 ZINC000738191696 599227748 /nfs/dbraw/zinc/22/77/48/599227748.db2.gz UOQKLNAGLQEJAR-UHFFFAOYSA-N -1 3 353.329 3.285 20 0 FGADHM CCc1ccccc1C(=O)NCCSCc1ccccc1-c1nnn[n-]1 ZINC000821492884 607264869 /nfs/dbraw/zinc/26/48/69/607264869.db2.gz YGAPONIOHJSDHT-UHFFFAOYSA-N -1 3 367.478 3.092 20 0 FGADHM CCc1ccccc1C(=O)NCCSCc1ccccc1-c1nn[n-]n1 ZINC000821492884 607264870 /nfs/dbraw/zinc/26/48/70/607264870.db2.gz YGAPONIOHJSDHT-UHFFFAOYSA-N -1 3 367.478 3.092 20 0 FGADHM CCC(CC)(CNC(=S)Nc1ccccc1-c1nnn[n-]1)SC ZINC000820887741 599227953 /nfs/dbraw/zinc/22/79/53/599227953.db2.gz OMTUNGNICQGUDH-UHFFFAOYSA-N -1 3 350.517 3.075 20 0 FGADHM CCC(CC)(CNC(=S)Nc1ccccc1-c1nn[n-]n1)SC ZINC000820887741 599227956 /nfs/dbraw/zinc/22/79/56/599227956.db2.gz OMTUNGNICQGUDH-UHFFFAOYSA-N -1 3 350.517 3.075 20 0 FGADHM CCc1ccc(CSCC(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736689871 599237005 /nfs/dbraw/zinc/23/70/05/599237005.db2.gz JWZROTNXHNAVJB-UHFFFAOYSA-N -1 3 353.451 3.301 20 0 FGADHM CCc1ccc(CSCC(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736689871 599237007 /nfs/dbraw/zinc/23/70/07/599237007.db2.gz JWZROTNXHNAVJB-UHFFFAOYSA-N -1 3 353.451 3.301 20 0 FGADHM Cc1c(NC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)cccc1-c1nnn[n-]1 ZINC000822059589 607267018 /nfs/dbraw/zinc/26/70/18/607267018.db2.gz DEGRRNTWBWZIGM-CHWSQXEVSA-N -1 3 355.348 3.196 20 0 FGADHM Cc1c(NC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)cccc1-c1nn[n-]n1 ZINC000822059589 607267019 /nfs/dbraw/zinc/26/70/19/607267019.db2.gz DEGRRNTWBWZIGM-CHWSQXEVSA-N -1 3 355.348 3.196 20 0 FGADHM CCCC[C@H](CC)CC(=O)O[C@@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736436557 599240554 /nfs/dbraw/zinc/24/05/54/599240554.db2.gz DLTVJRYPCVVAFC-KBPBESRZSA-N -1 3 373.457 3.343 20 0 FGADHM CCCC[C@H](CC)CC(=O)O[C@@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736436557 599240556 /nfs/dbraw/zinc/24/05/56/599240556.db2.gz DLTVJRYPCVVAFC-KBPBESRZSA-N -1 3 373.457 3.343 20 0 FGADHM CCCC[C@@H](CC)CC(=O)O[C@@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736436561 599240915 /nfs/dbraw/zinc/24/09/15/599240915.db2.gz DLTVJRYPCVVAFC-UONOGXRCSA-N -1 3 373.457 3.343 20 0 FGADHM CCCC[C@@H](CC)CC(=O)O[C@@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736436561 599240917 /nfs/dbraw/zinc/24/09/17/599240917.db2.gz DLTVJRYPCVVAFC-UONOGXRCSA-N -1 3 373.457 3.343 20 0 FGADHM COc1ccccc1[C@@H](C)CC(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821883393 607269323 /nfs/dbraw/zinc/26/93/23/607269323.db2.gz VFLUIQVMRDAOSR-LBPRGKRZSA-N -1 3 351.410 3.316 20 0 FGADHM COc1ccccc1[C@@H](C)CC(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821883393 607269324 /nfs/dbraw/zinc/26/93/24/607269324.db2.gz VFLUIQVMRDAOSR-LBPRGKRZSA-N -1 3 351.410 3.316 20 0 FGADHM COc1ccc([C@@H](C)CCNC(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821777767 599246468 /nfs/dbraw/zinc/24/64/68/599246468.db2.gz MGQFHCCGUBMPBI-ZDUSSCGKSA-N -1 3 366.425 3.191 20 0 FGADHM COc1ccc([C@@H](C)CCNC(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821777767 599246470 /nfs/dbraw/zinc/24/64/70/599246470.db2.gz MGQFHCCGUBMPBI-ZDUSSCGKSA-N -1 3 366.425 3.191 20 0 FGADHM O=C([O-])Cc1cccc(NC(=O)N[C@@H](CN2CCCC2)c2ccccc2)c1 ZINC000738623410 597183345 /nfs/dbraw/zinc/18/33/45/597183345.db2.gz FOGBATGHLRGZSQ-IBGZPJMESA-N -1 3 367.449 3.272 20 0 FGADHM O=C(C=Cc1ccnc2ccccc12)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737804693 599250117 /nfs/dbraw/zinc/25/01/17/599250117.db2.gz DTVRWBVNHZDZQS-YVMONPNESA-N -1 3 360.352 3.206 20 0 FGADHM O=C(C=Cc1ccnc2ccccc12)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737804693 599250120 /nfs/dbraw/zinc/25/01/20/599250120.db2.gz DTVRWBVNHZDZQS-YVMONPNESA-N -1 3 360.352 3.206 20 0 FGADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)N1CC[C@@H]1c1ccc(Cl)cc1 ZINC000737854386 599252055 /nfs/dbraw/zinc/25/20/55/599252055.db2.gz ZOIABKSWQVCYIC-QGZVFWFLSA-N -1 3 367.840 3.426 20 0 FGADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)N1CC[C@@H]1c1ccc(Cl)cc1 ZINC000737854386 599252056 /nfs/dbraw/zinc/25/20/56/599252056.db2.gz ZOIABKSWQVCYIC-QGZVFWFLSA-N -1 3 367.840 3.426 20 0 FGADHM Cc1c(NC(=O)N[C@@H]2CCOC3(CCCCC3)C2)cccc1-c1nnn[n-]1 ZINC000822090320 607281707 /nfs/dbraw/zinc/28/17/07/607281707.db2.gz JXDLAUSUQXHRGG-CQSZACIVSA-N -1 3 370.457 3.179 20 0 FGADHM Cc1c(NC(=O)N[C@@H]2CCOC3(CCCCC3)C2)cccc1-c1nn[n-]n1 ZINC000822090320 607281708 /nfs/dbraw/zinc/28/17/08/607281708.db2.gz JXDLAUSUQXHRGG-CQSZACIVSA-N -1 3 370.457 3.179 20 0 FGADHM Cc1c(NC(=O)N[C@H]2COc3ccc(Cl)cc32)cccc1-c1nnn[n-]1 ZINC000822092399 607282380 /nfs/dbraw/zinc/28/23/80/607282380.db2.gz XODILYGSXMCNBD-AWEZNQCLSA-N -1 3 370.800 3.084 20 0 FGADHM Cc1c(NC(=O)N[C@H]2COc3ccc(Cl)cc32)cccc1-c1nn[n-]n1 ZINC000822092399 607282381 /nfs/dbraw/zinc/28/23/81/607282381.db2.gz XODILYGSXMCNBD-AWEZNQCLSA-N -1 3 370.800 3.084 20 0 FGADHM Cc1ccc(C[C@@H](C)NC(=O)Nc2cccc(-c3nnn[n-]3)c2C)s1 ZINC000822234994 607282722 /nfs/dbraw/zinc/28/27/22/607282722.db2.gz NZDHUBUOOHNYSQ-SNVBAGLBSA-N -1 3 356.455 3.298 20 0 FGADHM Cc1ccc(C[C@@H](C)NC(=O)Nc2cccc(-c3nn[n-]n3)c2C)s1 ZINC000822234994 607282723 /nfs/dbraw/zinc/28/27/23/607282723.db2.gz NZDHUBUOOHNYSQ-SNVBAGLBSA-N -1 3 356.455 3.298 20 0 FGADHM Cc1c(NC(=O)NCc2cccc(OC(C)C)c2)cccc1-c1nnn[n-]1 ZINC000822103482 607287683 /nfs/dbraw/zinc/28/76/83/607287683.db2.gz HAOOALHFHXBSKO-UHFFFAOYSA-N -1 3 366.425 3.284 20 0 FGADHM Cc1c(NC(=O)NCc2cccc(OC(C)C)c2)cccc1-c1nn[n-]n1 ZINC000822103482 607287684 /nfs/dbraw/zinc/28/76/84/607287684.db2.gz HAOOALHFHXBSKO-UHFFFAOYSA-N -1 3 366.425 3.284 20 0 FGADHM CC[C@H](CNC(=O)Nc1cccc(-c2nnn[n-]2)c1C)c1ccccc1 ZINC000820908907 607288814 /nfs/dbraw/zinc/28/88/14/607288814.db2.gz RFMKJQDPJYHCDN-CQSZACIVSA-N -1 3 350.426 3.490 20 0 FGADHM CC[C@H](CNC(=O)Nc1cccc(-c2nn[n-]n2)c1C)c1ccccc1 ZINC000820908907 607288815 /nfs/dbraw/zinc/28/88/15/607288815.db2.gz RFMKJQDPJYHCDN-CQSZACIVSA-N -1 3 350.426 3.490 20 0 FGADHM CN(C)CCN(Cc1cccc(F)c1)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000818378022 597329678 /nfs/dbraw/zinc/32/96/78/597329678.db2.gz DXUMUDGJQDKYFH-UHFFFAOYSA-N -1 3 373.428 3.049 20 0 FGADHM C[C@@H](NC(=O)NC[C@@H](C)Cc1cccs1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820259901 599256639 /nfs/dbraw/zinc/25/66/39/599256639.db2.gz CHABXEGXCDUQIB-QWHCGFSZSA-N -1 3 370.482 3.167 20 0 FGADHM C[C@@H](NC(=O)NC[C@@H](C)Cc1cccs1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820259901 599256640 /nfs/dbraw/zinc/25/66/40/599256640.db2.gz CHABXEGXCDUQIB-QWHCGFSZSA-N -1 3 370.482 3.167 20 0 FGADHM Cc1c(NC(=O)NC2(Cc3ccccc3)CCC2)cccc1-c1nnn[n-]1 ZINC000822092232 607284376 /nfs/dbraw/zinc/28/43/76/607284376.db2.gz VRPQUHUFTIXMHX-UHFFFAOYSA-N -1 3 362.437 3.462 20 0 FGADHM Cc1c(NC(=O)NC2(Cc3ccccc3)CCC2)cccc1-c1nn[n-]n1 ZINC000822092232 607284377 /nfs/dbraw/zinc/28/43/77/607284377.db2.gz VRPQUHUFTIXMHX-UHFFFAOYSA-N -1 3 362.437 3.462 20 0 FGADHM Cc1c(NC(=O)[C@@H]2SCCc3ccccc32)cccc1-c1nnn[n-]1 ZINC000822068763 607295092 /nfs/dbraw/zinc/29/50/92/607295092.db2.gz UHWVPDBTNFGKEY-MRXNPFEDSA-N -1 3 351.435 3.144 20 0 FGADHM Cc1c(NC(=O)[C@@H]2SCCc3ccccc32)cccc1-c1nn[n-]n1 ZINC000822068763 607295093 /nfs/dbraw/zinc/29/50/93/607295093.db2.gz UHWVPDBTNFGKEY-MRXNPFEDSA-N -1 3 351.435 3.144 20 0 FGADHM CC[C@@H](Oc1ccccc1F)C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000820938289 607296264 /nfs/dbraw/zinc/29/62/64/607296264.db2.gz IAPZVNHEXKEFOY-OAHLLOKOSA-N -1 3 355.373 3.110 20 0 FGADHM CC[C@@H](Oc1ccccc1F)C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000820938289 607296265 /nfs/dbraw/zinc/29/62/65/607296265.db2.gz IAPZVNHEXKEFOY-OAHLLOKOSA-N -1 3 355.373 3.110 20 0 FGADHM CC(=O)Nc1ccc(Cl)c(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)c1 ZINC000819818620 607296447 /nfs/dbraw/zinc/29/64/47/607296447.db2.gz TWHQLBKDVAITRK-UHFFFAOYSA-N -1 3 370.800 3.039 20 0 FGADHM CC(=O)Nc1ccc(Cl)c(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)c1 ZINC000819818620 607296448 /nfs/dbraw/zinc/29/64/48/607296448.db2.gz TWHQLBKDVAITRK-UHFFFAOYSA-N -1 3 370.800 3.039 20 0 FGADHM c1ccc2c(c1)nc(NCc1cccc3c1OCCCO3)cc2-c1nnn[n-]1 ZINC000823751366 607307601 /nfs/dbraw/zinc/30/76/01/607307601.db2.gz HSXRJFSKNZFOGU-UHFFFAOYSA-N -1 3 374.404 3.188 20 0 FGADHM c1ccc2c(c1)nc(NCc1cccc3c1OCCCO3)cc2-c1nn[n-]n1 ZINC000823751366 607307602 /nfs/dbraw/zinc/30/76/02/607307602.db2.gz HSXRJFSKNZFOGU-UHFFFAOYSA-N -1 3 374.404 3.188 20 0 FGADHM Fc1ccc(F)c2c1ncc(-c1nnn[n-]1)c2N1CCc2sccc2C1 ZINC000737659616 599265211 /nfs/dbraw/zinc/26/52/11/599265211.db2.gz KCWMOJOBVNDWFN-UHFFFAOYSA-N -1 3 370.388 3.317 20 0 FGADHM Fc1ccc(F)c2c1ncc(-c1nn[n-]n1)c2N1CCc2sccc2C1 ZINC000737659616 599265212 /nfs/dbraw/zinc/26/52/12/599265212.db2.gz KCWMOJOBVNDWFN-UHFFFAOYSA-N -1 3 370.388 3.317 20 0 FGADHM CN(C)c1cccc([C@H]2CCCN2c2cccc(F)c2-c2nnn[n-]2)c1 ZINC000736778802 599266960 /nfs/dbraw/zinc/26/69/60/599266960.db2.gz FVORJDWVAHHLRP-MRXNPFEDSA-N -1 3 352.417 3.413 20 0 FGADHM CN(C)c1cccc([C@H]2CCCN2c2cccc(F)c2-c2nn[n-]n2)c1 ZINC000736778802 599266962 /nfs/dbraw/zinc/26/69/62/599266962.db2.gz FVORJDWVAHHLRP-MRXNPFEDSA-N -1 3 352.417 3.413 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H](C)C1CCCCC1 ZINC000821406436 599267173 /nfs/dbraw/zinc/26/71/73/599267173.db2.gz DSICBLQLEBXDKH-LBPRGKRZSA-N -1 3 358.446 3.356 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@H](C)C1CCCCC1 ZINC000821406436 599267175 /nfs/dbraw/zinc/26/71/75/599267175.db2.gz DSICBLQLEBXDKH-LBPRGKRZSA-N -1 3 358.446 3.356 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(F)c(F)c1 ZINC000736487867 599275446 /nfs/dbraw/zinc/27/54/46/599275446.db2.gz JEJTXFMTHUOOLP-UHFFFAOYSA-N -1 3 358.352 3.219 20 0 FGADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)Nc1cccc(NC2CCCC2)c1 ZINC000737955559 599277184 /nfs/dbraw/zinc/27/71/84/599277184.db2.gz JRSCHEBEGQTOEY-UHFFFAOYSA-N -1 3 362.437 3.402 20 0 FGADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)Nc1cccc(NC2CCCC2)c1 ZINC000737955559 599277187 /nfs/dbraw/zinc/27/71/87/599277187.db2.gz JRSCHEBEGQTOEY-UHFFFAOYSA-N -1 3 362.437 3.402 20 0 FGADHM O=C(C[C@H]1CCOc2ccccc21)OCc1ccc(-c2nnn[n-]2)cc1F ZINC000737819731 599279177 /nfs/dbraw/zinc/27/91/77/599279177.db2.gz OVGPFOIBVBJYSJ-GFCCVEGCSA-N -1 3 368.368 3.005 20 0 FGADHM O=C(C[C@H]1CCOc2ccccc21)OCc1ccc(-c2nn[n-]n2)cc1F ZINC000737819731 599279179 /nfs/dbraw/zinc/27/91/79/599279179.db2.gz OVGPFOIBVBJYSJ-GFCCVEGCSA-N -1 3 368.368 3.005 20 0 FGADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1F)c1cc2cc(F)ccc2o1 ZINC000738232131 599279892 /nfs/dbraw/zinc/27/98/92/599279892.db2.gz PMJMGUPIUYMDCT-UHFFFAOYSA-N -1 3 356.288 3.248 20 0 FGADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1F)c1cc2cc(F)ccc2o1 ZINC000738232131 599279894 /nfs/dbraw/zinc/27/98/94/599279894.db2.gz PMJMGUPIUYMDCT-UHFFFAOYSA-N -1 3 356.288 3.248 20 0 FGADHM C[C@@H](OC(=O)C[C@@H]1CCOc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000736150483 599282183 /nfs/dbraw/zinc/28/21/83/599282183.db2.gz OCAWYBGHGBZMNG-HIFRSBDPSA-N -1 3 364.405 3.427 20 0 FGADHM C[C@@H](OC(=O)C[C@@H]1CCOc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000736150483 599282185 /nfs/dbraw/zinc/28/21/85/599282185.db2.gz OCAWYBGHGBZMNG-HIFRSBDPSA-N -1 3 364.405 3.427 20 0 FGADHM C[C@@H](CNC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C1CC1 ZINC000820269510 599288009 /nfs/dbraw/zinc/28/80/09/599288009.db2.gz LVWCPGHITXMEOJ-QMMMGPOBSA-N -1 3 354.336 3.053 20 0 FGADHM C[C@@H](CNC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C1CC1 ZINC000820269510 599288010 /nfs/dbraw/zinc/28/80/10/599288010.db2.gz LVWCPGHITXMEOJ-QMMMGPOBSA-N -1 3 354.336 3.053 20 0 FGADHM Clc1cccc(-c2nnn[n-]2)c1N1CC(c2nc3ccccc3[nH]2)C1 ZINC000822581259 607329066 /nfs/dbraw/zinc/32/90/66/607329066.db2.gz GEHDGAPZWJRGBM-UHFFFAOYSA-N -1 3 351.801 3.000 20 0 FGADHM Clc1cccc(-c2nn[n-]n2)c1N1CC(c2nc3ccccc3[nH]2)C1 ZINC000822581259 607329067 /nfs/dbraw/zinc/32/90/67/607329067.db2.gz GEHDGAPZWJRGBM-UHFFFAOYSA-N -1 3 351.801 3.000 20 0 FGADHM CC[C@@H]1Oc2cc([C@@H](C)NCc3cccc(C(=O)[O-])c3)ccc2NC1=O ZINC000263421869 598204220 /nfs/dbraw/zinc/20/42/20/598204220.db2.gz PDZVVBDUFIKMAJ-PXAZEXFGSA-N -1 3 354.406 3.345 20 0 FGADHM CS[C@@H](C)C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737169618 598232130 /nfs/dbraw/zinc/23/21/30/598232130.db2.gz CBIIGTQDMKHLRD-NSHDSACASA-N -1 3 355.423 3.349 20 0 FGADHM CS[C@@H](C)C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737169618 598232132 /nfs/dbraw/zinc/23/21/32/598232132.db2.gz CBIIGTQDMKHLRD-NSHDSACASA-N -1 3 355.423 3.349 20 0 FGADHM CC(C)(C)CCCCNC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000735603332 598233326 /nfs/dbraw/zinc/23/33/26/598233326.db2.gz KFJINVLDYMPYOR-UHFFFAOYSA-N -1 3 361.515 3.433 20 0 FGADHM CC(C)(C)CCCCNC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000735603332 598233329 /nfs/dbraw/zinc/23/33/29/598233329.db2.gz KFJINVLDYMPYOR-UHFFFAOYSA-N -1 3 361.515 3.433 20 0 FGADHM CN(Cc1ccc(Br)s1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736817193 598235520 /nfs/dbraw/zinc/23/55/20/598235520.db2.gz UKVGBPIIVDCGRX-UHFFFAOYSA-N -1 3 368.235 3.466 20 0 FGADHM Fc1ccc(C2(CNc3ccc(-c4nn[n-]n4)cc3F)CCOCC2)cc1 ZINC000737647968 598241539 /nfs/dbraw/zinc/24/15/39/598241539.db2.gz GELHFOCGHUGSHK-UHFFFAOYSA-N -1 3 371.391 3.305 20 0 FGADHM Fc1ccc(-c2nc(CCNc3ccc(-c4nn[n-]n4)cc3)co2)cc1 ZINC000737649061 598248568 /nfs/dbraw/zinc/24/85/68/598248568.db2.gz DAFPDIJJCNLIBA-UHFFFAOYSA-N -1 3 350.357 3.315 20 0 FGADHM CC[C@H](NC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)c1nc(C)cs1 ZINC000736362457 598255042 /nfs/dbraw/zinc/25/50/42/598255042.db2.gz JHIWGGYEVMVNMV-FZMZJTMJSA-N -1 3 371.470 3.143 20 0 FGADHM CC[C@H](NC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)c1nc(C)cs1 ZINC000736362457 598255044 /nfs/dbraw/zinc/25/50/44/598255044.db2.gz JHIWGGYEVMVNMV-FZMZJTMJSA-N -1 3 371.470 3.143 20 0 FGADHM Cc1cccc(CCNC(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)c1 ZINC000737391765 598281332 /nfs/dbraw/zinc/28/13/32/598281332.db2.gz HOFIGEXMXYJPMO-UHFFFAOYSA-N -1 3 367.457 3.096 20 0 FGADHM Cc1cccc(CCNC(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)c1 ZINC000737391765 598281334 /nfs/dbraw/zinc/28/13/34/598281334.db2.gz HOFIGEXMXYJPMO-UHFFFAOYSA-N -1 3 367.457 3.096 20 0 FGADHM O[C@@H](CNc1ccc(C(F)(F)F)c(-c2nnn[n-]2)c1)c1ccccc1F ZINC000823690809 607347491 /nfs/dbraw/zinc/34/74/91/607347491.db2.gz VFOKTCPYBWWJGS-AWEZNQCLSA-N -1 3 367.306 3.170 20 0 FGADHM O[C@@H](CNc1ccc(C(F)(F)F)c(-c2nn[n-]n2)c1)c1ccccc1F ZINC000823690809 607347494 /nfs/dbraw/zinc/34/74/94/607347494.db2.gz VFOKTCPYBWWJGS-AWEZNQCLSA-N -1 3 367.306 3.170 20 0 FGADHM CC[C@@H](NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC)C1CCCCC1 ZINC000736365562 598291908 /nfs/dbraw/zinc/29/19/08/598291908.db2.gz WWCZABTVHJLQJD-CQSZACIVSA-N -1 3 358.446 3.356 20 0 FGADHM CC[C@@H](NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC)C1CCCCC1 ZINC000736365562 598291910 /nfs/dbraw/zinc/29/19/10/598291910.db2.gz WWCZABTVHJLQJD-CQSZACIVSA-N -1 3 358.446 3.356 20 0 FGADHM CC(C)N(Cc1cccs1)C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000735873858 598293513 /nfs/dbraw/zinc/29/35/13/598293513.db2.gz AEAYRGHNMKWYOY-UHFFFAOYSA-N -1 3 356.455 3.048 20 0 FGADHM CC(C)N(Cc1cccs1)C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000735873858 598293514 /nfs/dbraw/zinc/29/35/14/598293514.db2.gz AEAYRGHNMKWYOY-UHFFFAOYSA-N -1 3 356.455 3.048 20 0 FGADHM Cc1nc(-c2ccco2)ccc1C(=O)N(C)c1cccc(-c2nnn[n-]2)c1 ZINC000737464628 598296184 /nfs/dbraw/zinc/29/61/84/598296184.db2.gz RDWPXSLTHYUQAQ-UHFFFAOYSA-N -1 3 360.377 3.107 20 0 FGADHM Cc1nc(-c2ccco2)ccc1C(=O)N(C)c1cccc(-c2nn[n-]n2)c1 ZINC000737464628 598296186 /nfs/dbraw/zinc/29/61/86/598296186.db2.gz RDWPXSLTHYUQAQ-UHFFFAOYSA-N -1 3 360.377 3.107 20 0 FGADHM Cc1ccccc1N(CC(=O)Nc1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000737433761 598312062 /nfs/dbraw/zinc/31/20/62/598312062.db2.gz BZYCCMYWKPKFRG-UHFFFAOYSA-N -1 3 350.426 3.029 20 0 FGADHM Cc1ccccc1N(CC(=O)Nc1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000737433761 598312063 /nfs/dbraw/zinc/31/20/63/598312063.db2.gz BZYCCMYWKPKFRG-UHFFFAOYSA-N -1 3 350.426 3.029 20 0 FGADHM CCCCC[C@@H](C)NC(=O)CSCc1ccc(F)cc1-c1nnn[n-]1 ZINC000736441496 598314831 /nfs/dbraw/zinc/31/48/31/598314831.db2.gz QXZXEJZPGHBYGS-GFCCVEGCSA-N -1 3 365.478 3.324 20 0 FGADHM CCCCC[C@@H](C)NC(=O)CSCc1ccc(F)cc1-c1nn[n-]n1 ZINC000736441496 598314833 /nfs/dbraw/zinc/31/48/33/598314833.db2.gz QXZXEJZPGHBYGS-GFCCVEGCSA-N -1 3 365.478 3.324 20 0 FGADHM CCC[C@@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000736431524 598317499 /nfs/dbraw/zinc/31/74/99/598317499.db2.gz KFWUBDSWJSRYMM-QGZVFWFLSA-N -1 3 368.416 3.346 20 0 FGADHM CCC[C@@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000736431524 598317501 /nfs/dbraw/zinc/31/75/01/598317501.db2.gz KFWUBDSWJSRYMM-QGZVFWFLSA-N -1 3 368.416 3.346 20 0 FGADHM S=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N[C@H]1CCCc2occc21 ZINC000738409554 598321210 /nfs/dbraw/zinc/32/12/10/598321210.db2.gz RQCYYBGHAIHKCY-ZDUSSCGKSA-N -1 3 374.857 3.477 20 0 FGADHM S=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N[C@H]1CCCc2occc21 ZINC000738409554 598321212 /nfs/dbraw/zinc/32/12/12/598321212.db2.gz RQCYYBGHAIHKCY-ZDUSSCGKSA-N -1 3 374.857 3.477 20 0 FGADHM CC(C)[C@@H]1CCCN1C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735752123 598321285 /nfs/dbraw/zinc/32/12/85/598321285.db2.gz XTHCOZWZXTXMMK-ZDUSSCGKSA-N -1 3 350.879 3.337 20 0 FGADHM CC(C)[C@@H]1CCCN1C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735752123 598321287 /nfs/dbraw/zinc/32/12/87/598321287.db2.gz XTHCOZWZXTXMMK-ZDUSSCGKSA-N -1 3 350.879 3.337 20 0 FGADHM S=C(NCc1ccsc1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000738402314 598321433 /nfs/dbraw/zinc/32/14/33/598321433.db2.gz ZUMSZBREQHZUPB-UHFFFAOYSA-N -1 3 350.860 3.068 20 0 FGADHM S=C(NCc1ccsc1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000738402314 598321435 /nfs/dbraw/zinc/32/14/35/598321435.db2.gz ZUMSZBREQHZUPB-UHFFFAOYSA-N -1 3 350.860 3.068 20 0 FGADHM COc1ccc(NC(=S)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1F ZINC000737102755 598322577 /nfs/dbraw/zinc/32/25/77/598322577.db2.gz CKZWYGMBBWLFLK-SNVBAGLBSA-N -1 3 372.429 3.062 20 0 FGADHM COc1ccc(NC(=S)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000737102755 598322578 /nfs/dbraw/zinc/32/25/78/598322578.db2.gz CKZWYGMBBWLFLK-SNVBAGLBSA-N -1 3 372.429 3.062 20 0 FGADHM Clc1cc(-c2nnn[n-]2)ccc1OCc1nc(-c2ccsc2)no1 ZINC000737565665 598323051 /nfs/dbraw/zinc/32/30/51/598323051.db2.gz VRJJUQXDQOWRMD-UHFFFAOYSA-N -1 3 360.786 3.211 20 0 FGADHM Clc1cc(-c2nn[n-]n2)ccc1OCc1nc(-c2ccsc2)no1 ZINC000737565665 598323053 /nfs/dbraw/zinc/32/30/53/598323053.db2.gz VRJJUQXDQOWRMD-UHFFFAOYSA-N -1 3 360.786 3.211 20 0 FGADHM CC(C)Oc1ccc(NC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000735915550 598323415 /nfs/dbraw/zinc/32/34/15/598323415.db2.gz PDXPCEHRUFVKMF-UHFFFAOYSA-N -1 3 370.388 3.115 20 0 FGADHM CC(C)Oc1ccc(NC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000735915550 598323416 /nfs/dbraw/zinc/32/34/16/598323416.db2.gz PDXPCEHRUFVKMF-UHFFFAOYSA-N -1 3 370.388 3.115 20 0 FGADHM C[C@H](c1ccncc1)N(C)C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736203407 598323930 /nfs/dbraw/zinc/32/39/30/598323930.db2.gz NOVSUGBLLZYCGP-SNVBAGLBSA-N -1 3 373.873 3.305 20 0 FGADHM C[C@H](c1ccncc1)N(C)C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736203407 598323932 /nfs/dbraw/zinc/32/39/32/598323932.db2.gz NOVSUGBLLZYCGP-SNVBAGLBSA-N -1 3 373.873 3.305 20 0 FGADHM CC(C)CCN(C)C(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000735804544 598326758 /nfs/dbraw/zinc/32/67/58/598326758.db2.gz VBXNSXAJWMLRCW-UHFFFAOYSA-N -1 3 369.425 3.157 20 0 FGADHM CC(C)CCN(C)C(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000735804544 598326759 /nfs/dbraw/zinc/32/67/59/598326759.db2.gz VBXNSXAJWMLRCW-UHFFFAOYSA-N -1 3 369.425 3.157 20 0 FGADHM C[C@@H](OC(=O)c1cc2cc(F)ccc2[nH]1)c1cccc(-c2nnn[n-]2)c1 ZINC000736160601 598331259 /nfs/dbraw/zinc/33/12/59/598331259.db2.gz SMGNMLQFTLXLTN-SNVBAGLBSA-N -1 3 351.341 3.405 20 0 FGADHM C[C@@H](OC(=O)c1cc2cc(F)ccc2[nH]1)c1cccc(-c2nn[n-]n2)c1 ZINC000736160601 598331260 /nfs/dbraw/zinc/33/12/60/598331260.db2.gz SMGNMLQFTLXLTN-SNVBAGLBSA-N -1 3 351.341 3.405 20 0 FGADHM COc1ccccc1[C@@H]1CCCCN1C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737148691 598361146 /nfs/dbraw/zinc/36/11/46/598361146.db2.gz UHHCFUZQXMPFQG-KRWDZBQOSA-N -1 3 363.421 3.243 20 0 FGADHM COc1ccccc1[C@@H]1CCCCN1C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737148691 598361148 /nfs/dbraw/zinc/36/11/48/598361148.db2.gz UHHCFUZQXMPFQG-KRWDZBQOSA-N -1 3 363.421 3.243 20 0 FGADHM CC(C)c1ccc(C=C2N=C(c3ccc(-c4nnn[n-]4)cc3)OC2=O)cc1 ZINC000735922297 598379570 /nfs/dbraw/zinc/37/95/70/598379570.db2.gz FLYSVEATPPMSLT-BOPFTXTBSA-N -1 3 359.389 3.335 20 0 FGADHM CC(C)c1ccc(C=C2N=C(c3ccc(-c4nn[n-]n4)cc3)OC2=O)cc1 ZINC000735922297 598379575 /nfs/dbraw/zinc/37/95/75/598379575.db2.gz FLYSVEATPPMSLT-BOPFTXTBSA-N -1 3 359.389 3.335 20 0 FGADHM Cc1ccccc1C1(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000737422714 598380518 /nfs/dbraw/zinc/38/05/18/598380518.db2.gz RIYVFNXBMMVBBK-UHFFFAOYSA-N -1 3 353.813 3.499 20 0 FGADHM Cc1ccccc1C1(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000737422714 598380520 /nfs/dbraw/zinc/38/05/20/598380520.db2.gz RIYVFNXBMMVBBK-UHFFFAOYSA-N -1 3 353.813 3.499 20 0 FGADHM FC(F)Oc1ccc(CCNc2ncc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000737639088 598386922 /nfs/dbraw/zinc/38/69/22/598386922.db2.gz NEIOUUGVOWDXSO-UHFFFAOYSA-N -1 3 366.759 3.171 20 0 FGADHM FC(F)Oc1ccc(CCNc2ncc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000737639088 598386924 /nfs/dbraw/zinc/38/69/24/598386924.db2.gz NEIOUUGVOWDXSO-UHFFFAOYSA-N -1 3 366.759 3.171 20 0 FGADHM CCC(=O)c1cccc(NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000820842057 607355704 /nfs/dbraw/zinc/35/57/04/607355704.db2.gz IWWCLONKOCDYDB-LBPRGKRZSA-N -1 3 364.409 3.342 20 0 FGADHM CCC(=O)c1cccc(NC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000820842057 607355705 /nfs/dbraw/zinc/35/57/05/607355705.db2.gz IWWCLONKOCDYDB-LBPRGKRZSA-N -1 3 364.409 3.342 20 0 FGADHM Cc1c(Br)cccc1NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000737203181 598395735 /nfs/dbraw/zinc/39/57/35/598395735.db2.gz SAIZIHGOKSLVNK-UHFFFAOYSA-N -1 3 374.242 3.429 20 0 FGADHM C[C@@H](Sc1ccc(-c2nnn[n-]2)cc1)C(=O)NCCC1=CCCCC1 ZINC000736192138 598413830 /nfs/dbraw/zinc/41/38/30/598413830.db2.gz KYQHUYMHIGEOQO-CYBMUJFWSA-N -1 3 357.483 3.354 20 0 FGADHM C[C@@H](Sc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCC1=CCCCC1 ZINC000736192138 598413831 /nfs/dbraw/zinc/41/38/31/598413831.db2.gz KYQHUYMHIGEOQO-CYBMUJFWSA-N -1 3 357.483 3.354 20 0 FGADHM Cc1ccccc1CNC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000737427821 598428408 /nfs/dbraw/zinc/42/84/08/598428408.db2.gz FWJPJQUOMBXKNI-UHFFFAOYSA-N -1 3 364.453 3.295 20 0 FGADHM Cc1ccccc1CNC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000737427821 598428409 /nfs/dbraw/zinc/42/84/09/598428409.db2.gz FWJPJQUOMBXKNI-UHFFFAOYSA-N -1 3 364.453 3.295 20 0 FGADHM COc1ccc([C@@H](C)C(=O)Nc2sc(C)c(C)c2-c2nnn[n-]2)cc1 ZINC000737072950 598437115 /nfs/dbraw/zinc/43/71/15/598437115.db2.gz OPGJIHNVKRLZFR-SNVBAGLBSA-N -1 3 357.439 3.296 20 0 FGADHM COc1ccc([C@@H](C)C(=O)Nc2sc(C)c(C)c2-c2nn[n-]n2)cc1 ZINC000737072950 598437117 /nfs/dbraw/zinc/43/71/17/598437117.db2.gz OPGJIHNVKRLZFR-SNVBAGLBSA-N -1 3 357.439 3.296 20 0 FGADHM CCCc1ccc([C@H](NC(=O)c2ccc(-c3nnn[n-]3)cn2)C(C)C)cc1 ZINC000736496971 598439719 /nfs/dbraw/zinc/43/97/19/598439719.db2.gz MXNOADQBSOCRJM-GOSISDBHSA-N -1 3 364.453 3.341 20 0 FGADHM CCCc1ccc([C@H](NC(=O)c2ccc(-c3nn[n-]n3)cn2)C(C)C)cc1 ZINC000736496971 598439720 /nfs/dbraw/zinc/43/97/20/598439720.db2.gz MXNOADQBSOCRJM-GOSISDBHSA-N -1 3 364.453 3.341 20 0 FGADHM C[C@H](CN(C)C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000735993260 598468738 /nfs/dbraw/zinc/46/87/38/598468738.db2.gz CJQOZZXXTQGCFW-CABCVRRESA-N -1 3 364.453 3.373 20 0 FGADHM C[C@H](CN(C)C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000735993260 598468740 /nfs/dbraw/zinc/46/87/40/598468740.db2.gz CJQOZZXXTQGCFW-CABCVRRESA-N -1 3 364.453 3.373 20 0 FGADHM C[C@H](OC(=O)CCCOCc1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000736148304 598482438 /nfs/dbraw/zinc/48/24/38/598482438.db2.gz GVEQOTXNMZCDIG-HNNXBMFYSA-N -1 3 366.421 3.468 20 0 FGADHM C[C@H](OC(=O)CCCOCc1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000736148304 598482440 /nfs/dbraw/zinc/48/24/40/598482440.db2.gz GVEQOTXNMZCDIG-HNNXBMFYSA-N -1 3 366.421 3.468 20 0 FGADHM CC(C)Oc1cccc(OC(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735912944 598484695 /nfs/dbraw/zinc/48/46/95/598484695.db2.gz KAWQYOPSUOYSFI-ZDUSSCGKSA-N -1 3 368.393 3.027 20 0 FGADHM CCc1c(C(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)[nH]c(C)c1C(C)=O ZINC000736669349 598484945 /nfs/dbraw/zinc/48/49/45/598484945.db2.gz FNFGMVNKVBFRMU-GFCCVEGCSA-N -1 3 367.409 3.186 20 0 FGADHM CCc1c(C(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)[nH]c(C)c1C(C)=O ZINC000736669349 598484946 /nfs/dbraw/zinc/48/49/46/598484946.db2.gz FNFGMVNKVBFRMU-GFCCVEGCSA-N -1 3 367.409 3.186 20 0 FGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)c1cccc2ncccc21 ZINC000735660597 598487516 /nfs/dbraw/zinc/48/75/16/598487516.db2.gz DUARRBRTEWAJLG-UHFFFAOYSA-N -1 3 361.409 3.224 20 0 FGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)c1cccc2ncccc21 ZINC000735660597 598487518 /nfs/dbraw/zinc/48/75/18/598487518.db2.gz DUARRBRTEWAJLG-UHFFFAOYSA-N -1 3 361.409 3.224 20 0 FGADHM CC[C@H](Sc1cc(-c2nnn[n-]2)ccn1)C(=O)c1ccc(OC)cc1 ZINC000736391780 598493185 /nfs/dbraw/zinc/49/31/85/598493185.db2.gz OIYKVENCPMICIU-AWEZNQCLSA-N -1 3 355.423 3.024 20 0 FGADHM CC[C@H](Sc1cc(-c2nn[n-]n2)ccn1)C(=O)c1ccc(OC)cc1 ZINC000736391780 598493186 /nfs/dbraw/zinc/49/31/86/598493186.db2.gz OIYKVENCPMICIU-AWEZNQCLSA-N -1 3 355.423 3.024 20 0 FGADHM Fc1ccccc1Cc1nnc(SCc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000737669090 598497483 /nfs/dbraw/zinc/49/74/83/598497483.db2.gz JNBXNWFFIOPKEX-UHFFFAOYSA-N -1 3 368.397 3.272 20 0 FGADHM Fc1ccccc1Cc1nnc(SCc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000737669090 598497484 /nfs/dbraw/zinc/49/74/84/598497484.db2.gz JNBXNWFFIOPKEX-UHFFFAOYSA-N -1 3 368.397 3.272 20 0 FGADHM COc1ccc(CCNc2ccc(Cl)cc2-c2nnn[n-]2)cc1OC ZINC000737089952 598506516 /nfs/dbraw/zinc/50/65/16/598506516.db2.gz AXIGERDRRSYOGJ-UHFFFAOYSA-N -1 3 359.817 3.192 20 0 FGADHM COc1ccc(CCNc2ccc(Cl)cc2-c2nn[n-]n2)cc1OC ZINC000737089952 598506517 /nfs/dbraw/zinc/50/65/17/598506517.db2.gz AXIGERDRRSYOGJ-UHFFFAOYSA-N -1 3 359.817 3.192 20 0 FGADHM Clc1cc(NCc2cccc(Cn3cccn3)c2)ccc1-c1nnn[n-]1 ZINC000737567185 598508377 /nfs/dbraw/zinc/50/83/77/598508377.db2.gz YJDFRKIPFQEWLA-UHFFFAOYSA-N -1 3 365.828 3.377 20 0 FGADHM Clc1cc(NCc2cccc(Cn3cccn3)c2)ccc1-c1nn[n-]n1 ZINC000737567185 598508378 /nfs/dbraw/zinc/50/83/78/598508378.db2.gz YJDFRKIPFQEWLA-UHFFFAOYSA-N -1 3 365.828 3.377 20 0 FGADHM Clc1cc(NCc2ccccc2Cn2cccn2)ccc1-c1nnn[n-]1 ZINC000737563843 598508390 /nfs/dbraw/zinc/50/83/90/598508390.db2.gz HASWLUBQICXZLW-UHFFFAOYSA-N -1 3 365.828 3.377 20 0 FGADHM Clc1cc(NCc2ccccc2Cn2cccn2)ccc1-c1nn[n-]n1 ZINC000737563843 598508392 /nfs/dbraw/zinc/50/83/92/598508392.db2.gz HASWLUBQICXZLW-UHFFFAOYSA-N -1 3 365.828 3.377 20 0 FGADHM CCc1c(C)sc(NC(=O)COc2cc(C)cc(C)c2)c1-c1nnn[n-]1 ZINC000736674215 598516779 /nfs/dbraw/zinc/51/67/79/598516779.db2.gz ASNGXVJVGZVUCS-UHFFFAOYSA-N -1 3 371.466 3.433 20 0 FGADHM CCc1c(C)sc(NC(=O)COc2cc(C)cc(C)c2)c1-c1nn[n-]n1 ZINC000736674215 598516780 /nfs/dbraw/zinc/51/67/80/598516780.db2.gz ASNGXVJVGZVUCS-UHFFFAOYSA-N -1 3 371.466 3.433 20 0 FGADHM CCc1c(C)sc(NC(=O)COc2ccc(CC)cc2)c1-c1nnn[n-]1 ZINC000736688173 598518022 /nfs/dbraw/zinc/51/80/22/598518022.db2.gz BNTMXQGKQYTIIN-UHFFFAOYSA-N -1 3 371.466 3.379 20 0 FGADHM CCc1c(C)sc(NC(=O)COc2ccc(CC)cc2)c1-c1nn[n-]n1 ZINC000736688173 598518023 /nfs/dbraw/zinc/51/80/23/598518023.db2.gz BNTMXQGKQYTIIN-UHFFFAOYSA-N -1 3 371.466 3.379 20 0 FGADHM CC(C)CC[C@H]1CCC[C@@H]1NC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000735796333 598526509 /nfs/dbraw/zinc/52/65/09/598526509.db2.gz AEFODJPVMIKWJA-WBVHZDCISA-N -1 3 356.474 3.271 20 0 FGADHM CC(C)CC[C@H]1CCC[C@@H]1NC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000735796333 598526510 /nfs/dbraw/zinc/52/65/10/598526510.db2.gz AEFODJPVMIKWJA-WBVHZDCISA-N -1 3 356.474 3.271 20 0 FGADHM CSCCc1ccc(NC(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737182781 598528008 /nfs/dbraw/zinc/52/80/08/598528008.db2.gz TWXTWFSAQGMDDH-UHFFFAOYSA-N -1 3 354.439 3.416 20 0 FGADHM CSCCc1ccc(NC(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737182781 598528010 /nfs/dbraw/zinc/52/80/10/598528010.db2.gz TWXTWFSAQGMDDH-UHFFFAOYSA-N -1 3 354.439 3.416 20 0 FGADHM Cc1csc([C@@H](C)NC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)n1 ZINC000737454960 598533498 /nfs/dbraw/zinc/53/34/98/598533498.db2.gz KKWKDYBAFPDCFT-MRVPVSSYSA-N -1 3 363.834 3.168 20 0 FGADHM Cc1csc([C@@H](C)NC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)n1 ZINC000737454960 598533500 /nfs/dbraw/zinc/53/35/00/598533500.db2.gz KKWKDYBAFPDCFT-MRVPVSSYSA-N -1 3 363.834 3.168 20 0 FGADHM Cc1cc2ccccc2n1CC(=O)Nc1sc(C)c(C)c1-c1nnn[n-]1 ZINC000737562771 598536753 /nfs/dbraw/zinc/53/67/53/598536753.db2.gz MQQKDAKNERRPRT-UHFFFAOYSA-N -1 3 366.450 3.447 20 0 FGADHM Cc1cc2ccccc2n1CC(=O)Nc1sc(C)c(C)c1-c1nn[n-]n1 ZINC000737562771 598536755 /nfs/dbraw/zinc/53/67/55/598536755.db2.gz MQQKDAKNERRPRT-UHFFFAOYSA-N -1 3 366.450 3.447 20 0 FGADHM CCSc1ccc(C(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)cn1 ZINC000736666805 598537483 /nfs/dbraw/zinc/53/74/83/598537483.db2.gz OFFJMXVNLOISPP-LLVKDONJSA-N -1 3 355.423 3.292 20 0 FGADHM CCSc1ccc(C(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)cn1 ZINC000736666805 598537485 /nfs/dbraw/zinc/53/74/85/598537485.db2.gz OFFJMXVNLOISPP-LLVKDONJSA-N -1 3 355.423 3.292 20 0 FGADHM Fc1cc(Br)ccc1COc1ccc(-c2nnn[n-]2)c(F)c1 ZINC000737643153 598548177 /nfs/dbraw/zinc/54/81/77/598548177.db2.gz CAPFEQQOSXFNLR-UHFFFAOYSA-N -1 3 367.153 3.486 20 0 FGADHM Fc1cc(Br)ccc1COc1ccc(-c2nn[n-]n2)c(F)c1 ZINC000737643153 598548179 /nfs/dbraw/zinc/54/81/79/598548179.db2.gz CAPFEQQOSXFNLR-UHFFFAOYSA-N -1 3 367.153 3.486 20 0 FGADHM CCC[C@H](NC(=O)COc1ccc(-c2nnn[n-]2)c(F)c1)c1ccccc1 ZINC000736430575 598549935 /nfs/dbraw/zinc/54/99/35/598549935.db2.gz YPNDOSDRYBWKSW-KRWDZBQOSA-N -1 3 369.400 3.042 20 0 FGADHM CCC[C@H](NC(=O)COc1ccc(-c2nn[n-]n2)c(F)c1)c1ccccc1 ZINC000736430575 598549936 /nfs/dbraw/zinc/54/99/36/598549936.db2.gz YPNDOSDRYBWKSW-KRWDZBQOSA-N -1 3 369.400 3.042 20 0 FGADHM CCO[C@H](C)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736619048 598552657 /nfs/dbraw/zinc/55/26/57/598552657.db2.gz WXOWEFMBLHKFJI-GFCCVEGCSA-N -1 3 353.382 3.023 20 0 FGADHM CCO[C@H](C)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736619048 598552658 /nfs/dbraw/zinc/55/26/58/598552658.db2.gz WXOWEFMBLHKFJI-GFCCVEGCSA-N -1 3 353.382 3.023 20 0 FGADHM O=C(C1CCC1)N(CCCNc1ccc(Cl)cc1-c1nnn[n-]1)C1CC1 ZINC000737783205 598558986 /nfs/dbraw/zinc/55/89/86/598558986.db2.gz IXJNUIIZQCLLEX-UHFFFAOYSA-N -1 3 374.876 3.113 20 0 FGADHM O=C(C1CCC1)N(CCCNc1ccc(Cl)cc1-c1nn[n-]n1)C1CC1 ZINC000737783205 598558987 /nfs/dbraw/zinc/55/89/87/598558987.db2.gz IXJNUIIZQCLLEX-UHFFFAOYSA-N -1 3 374.876 3.113 20 0 FGADHM CCN(C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)[C@@H](C)C(C)C ZINC000736505501 598560646 /nfs/dbraw/zinc/56/06/46/598560646.db2.gz KLIRBKPWBGVQPS-JTQLQIEISA-N -1 3 368.388 3.366 20 0 FGADHM CCN(C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)[C@@H](C)C(C)C ZINC000736505501 598560647 /nfs/dbraw/zinc/56/06/47/598560647.db2.gz KLIRBKPWBGVQPS-JTQLQIEISA-N -1 3 368.388 3.366 20 0 FGADHM CCC[C@@H](C(=O)OCC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000825224653 607360766 /nfs/dbraw/zinc/36/07/66/607360766.db2.gz AGLVRCNRKSSIBS-QGZVFWFLSA-N -1 3 364.405 3.177 20 0 FGADHM CCC[C@@H](C(=O)OCC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000825224653 607360768 /nfs/dbraw/zinc/36/07/68/607360768.db2.gz AGLVRCNRKSSIBS-QGZVFWFLSA-N -1 3 364.405 3.177 20 0 FGADHM Cc1ccc(C)c(N(C(=O)COc2cccc(-c3nnn[n-]3)c2)C(C)C)c1 ZINC000737321000 598579953 /nfs/dbraw/zinc/57/99/53/598579953.db2.gz ATXVGCNANGUTKX-UHFFFAOYSA-N -1 3 365.437 3.304 20 0 FGADHM Cc1ccc(C)c(N(C(=O)COc2cccc(-c3nn[n-]n3)c2)C(C)C)c1 ZINC000737321000 598579954 /nfs/dbraw/zinc/57/99/54/598579954.db2.gz ATXVGCNANGUTKX-UHFFFAOYSA-N -1 3 365.437 3.304 20 0 FGADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1cccc(-n2cccc2)c1 ZINC000736821516 598583237 /nfs/dbraw/zinc/58/32/37/598583237.db2.gz YGSSPNVMSCYZCI-UHFFFAOYSA-N -1 3 373.420 3.321 20 0 FGADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1cccc(-n2cccc2)c1 ZINC000736821516 598583238 /nfs/dbraw/zinc/58/32/38/598583238.db2.gz YGSSPNVMSCYZCI-UHFFFAOYSA-N -1 3 373.420 3.321 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000738232206 598584713 /nfs/dbraw/zinc/58/47/13/598584713.db2.gz QPZIAPFQPKLLSU-GXTWGEPZSA-N -1 3 374.322 3.131 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000738232206 598584715 /nfs/dbraw/zinc/58/47/15/598584715.db2.gz QPZIAPFQPKLLSU-GXTWGEPZSA-N -1 3 374.322 3.131 20 0 FGADHM CCc1cccc2c(CC(=O)N[C@H](C)c3ccc(-c4nnn[n-]4)cc3)c[nH]c21 ZINC000736694773 598586090 /nfs/dbraw/zinc/58/60/90/598586090.db2.gz CCQIAVZRAPAARW-CYBMUJFWSA-N -1 3 374.448 3.330 20 0 FGADHM CCc1cccc2c(CC(=O)N[C@H](C)c3ccc(-c4nn[n-]n4)cc3)c[nH]c21 ZINC000736694773 598586091 /nfs/dbraw/zinc/58/60/91/598586091.db2.gz CCQIAVZRAPAARW-CYBMUJFWSA-N -1 3 374.448 3.330 20 0 FGADHM Cc1cccc2nc(CNc3ccc(-c4nnn[n-]4)c(C(F)(F)F)c3)cn21 ZINC000737417074 598593936 /nfs/dbraw/zinc/59/39/36/598593936.db2.gz FRMLVCKCINIFLQ-UHFFFAOYSA-N -1 3 373.342 3.454 20 0 FGADHM Cc1cccc2nc(CNc3ccc(-c4nn[n-]n4)c(C(F)(F)F)c3)cn21 ZINC000737417074 598593938 /nfs/dbraw/zinc/59/39/38/598593938.db2.gz FRMLVCKCINIFLQ-UHFFFAOYSA-N -1 3 373.342 3.454 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1sccc1-n1cccc1 ZINC000738165012 598598583 /nfs/dbraw/zinc/59/85/83/598598583.db2.gz BQXADQYUWYHZDZ-UHFFFAOYSA-N -1 3 354.370 3.110 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1sccc1-n1cccc1 ZINC000738165012 598598585 /nfs/dbraw/zinc/59/85/85/598598585.db2.gz BQXADQYUWYHZDZ-UHFFFAOYSA-N -1 3 354.370 3.110 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc2nc(Cl)ccc2c1 ZINC000738167755 598606857 /nfs/dbraw/zinc/60/68/57/598606857.db2.gz UDODICLXXJBUSQ-UHFFFAOYSA-N -1 3 368.759 3.460 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc2nc(Cl)ccc2c1 ZINC000738167755 598606859 /nfs/dbraw/zinc/60/68/59/598606859.db2.gz UDODICLXXJBUSQ-UHFFFAOYSA-N -1 3 368.759 3.460 20 0 FGADHM Clc1cccc(-c2noc(CCc3ccc(-c4nn[n-]n4)cc3)n2)c1 ZINC000737575252 598609042 /nfs/dbraw/zinc/60/90/42/598609042.db2.gz OBZOINGVIOVBMX-UHFFFAOYSA-N -1 3 352.785 3.355 20 0 FGADHM c1ccc(CCCc2noc(CCc3ccc(-c4nnn[n-]4)cc3)n2)cc1 ZINC000738426502 598611737 /nfs/dbraw/zinc/61/17/37/598611737.db2.gz DMBYFZZUIABINB-UHFFFAOYSA-N -1 3 360.421 3.210 20 0 FGADHM c1ccc(CCCc2noc(CCc3ccc(-c4nn[n-]n4)cc3)n2)cc1 ZINC000738426502 598611738 /nfs/dbraw/zinc/61/17/38/598611738.db2.gz DMBYFZZUIABINB-UHFFFAOYSA-N -1 3 360.421 3.210 20 0 FGADHM Fc1cccc(-c2noc(CSc3ccc(-c4nnn[n-]4)cc3)n2)c1 ZINC000737668016 598612654 /nfs/dbraw/zinc/61/26/54/598612654.db2.gz UKSYQQYNKFWJCF-UHFFFAOYSA-N -1 3 354.370 3.348 20 0 FGADHM Fc1cccc(-c2noc(CSc3ccc(-c4nn[n-]n4)cc3)n2)c1 ZINC000737668016 598612655 /nfs/dbraw/zinc/61/26/55/598612655.db2.gz UKSYQQYNKFWJCF-UHFFFAOYSA-N -1 3 354.370 3.348 20 0 FGADHM CCN(C(=O)c1ccc(C(C)=O)cc1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736504523 598626960 /nfs/dbraw/zinc/62/69/60/598626960.db2.gz BHSONXPWZYTKCB-CYBMUJFWSA-N -1 3 363.421 3.293 20 0 FGADHM CCN(C(=O)c1ccc(C(C)=O)cc1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736504523 598626962 /nfs/dbraw/zinc/62/69/62/598626962.db2.gz BHSONXPWZYTKCB-CYBMUJFWSA-N -1 3 363.421 3.293 20 0 FGADHM CN(CCCc1ccccc1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736798327 598630675 /nfs/dbraw/zinc/63/06/75/598630675.db2.gz VJUKEVNNIZZSLQ-UHFFFAOYSA-N -1 3 354.389 3.102 20 0 FGADHM CN(CCCc1ccccc1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736798327 598630677 /nfs/dbraw/zinc/63/06/77/598630677.db2.gz VJUKEVNNIZZSLQ-UHFFFAOYSA-N -1 3 354.389 3.102 20 0 FGADHM Fc1ccc(N2CCC[C@H]2c2ccc3c(c2)OCCO3)c(-c2nnn[n-]2)c1 ZINC000737658045 598630940 /nfs/dbraw/zinc/63/09/40/598630940.db2.gz BZKYPNLWXIQXOU-HNNXBMFYSA-N -1 3 367.384 3.119 20 0 FGADHM Fc1ccc(N2CCC[C@H]2c2ccc3c(c2)OCCO3)c(-c2nn[n-]n2)c1 ZINC000737658045 598630941 /nfs/dbraw/zinc/63/09/41/598630941.db2.gz BZKYPNLWXIQXOU-HNNXBMFYSA-N -1 3 367.384 3.119 20 0 FGADHM Clc1ccc(-c2nnn[n-]2)c(NCc2ccccc2Cn2cccn2)c1 ZINC000737570079 598632574 /nfs/dbraw/zinc/63/25/74/598632574.db2.gz ANZRNHBHDSMXKX-UHFFFAOYSA-N -1 3 365.828 3.377 20 0 FGADHM Clc1ccc(-c2nn[n-]n2)c(NCc2ccccc2Cn2cccn2)c1 ZINC000737570079 598632576 /nfs/dbraw/zinc/63/25/76/598632576.db2.gz ANZRNHBHDSMXKX-UHFFFAOYSA-N -1 3 365.828 3.377 20 0 FGADHM CN(Cc1ccccc1)C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736827852 598643929 /nfs/dbraw/zinc/64/39/29/598643929.db2.gz IQRGHUIIHWSJAJ-UHFFFAOYSA-N -1 3 365.437 3.074 20 0 FGADHM CN(Cc1ccccc1)C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736827852 598643931 /nfs/dbraw/zinc/64/39/31/598643931.db2.gz IQRGHUIIHWSJAJ-UHFFFAOYSA-N -1 3 365.437 3.074 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@H](C)CSc1ccccc1 ZINC000737025787 598646760 /nfs/dbraw/zinc/64/67/60/598646760.db2.gz NATPKQQDEMQZCQ-GFCCVEGCSA-N -1 3 370.434 3.209 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@H](C)CSc1ccccc1 ZINC000737025787 598646761 /nfs/dbraw/zinc/64/67/61/598646761.db2.gz NATPKQQDEMQZCQ-GFCCVEGCSA-N -1 3 370.434 3.209 20 0 FGADHM CC(=CC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)c1cccc(F)c1 ZINC000735449886 598649084 /nfs/dbraw/zinc/64/90/84/598649084.db2.gz UVVYIPXRXDDLFJ-UKVQZPPCSA-N -1 3 351.385 3.287 20 0 FGADHM CC(=CC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)c1cccc(F)c1 ZINC000735449886 598649086 /nfs/dbraw/zinc/64/90/86/598649086.db2.gz UVVYIPXRXDDLFJ-UKVQZPPCSA-N -1 3 351.385 3.287 20 0 FGADHM CC(=CC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1)c1cccc(F)c1 ZINC000735449885 598649180 /nfs/dbraw/zinc/64/91/80/598649180.db2.gz UVVYIPXRXDDLFJ-RSKUSDAESA-N -1 3 351.385 3.287 20 0 FGADHM CC(=CC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1)c1cccc(F)c1 ZINC000735449885 598649182 /nfs/dbraw/zinc/64/91/82/598649182.db2.gz UVVYIPXRXDDLFJ-RSKUSDAESA-N -1 3 351.385 3.287 20 0 FGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)Oc1ccc(Cl)cc1F ZINC000737946403 598649771 /nfs/dbraw/zinc/64/97/71/598649771.db2.gz DZXMMURFXJCSRA-UHFFFAOYSA-N -1 3 364.789 3.357 20 0 FGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)Oc1ccc(Cl)cc1F ZINC000737946403 598649773 /nfs/dbraw/zinc/64/97/73/598649773.db2.gz DZXMMURFXJCSRA-UHFFFAOYSA-N -1 3 364.789 3.357 20 0 FGADHM Cc1nc2ccc(NC(=O)CSc3ccc(-c4nnn[n-]4)cc3)cc2o1 ZINC000737489094 598650613 /nfs/dbraw/zinc/65/06/13/598650613.db2.gz VQXGMBBHUBCANB-UHFFFAOYSA-N -1 3 366.406 3.047 20 0 FGADHM Cc1nc2ccc(NC(=O)CSc3ccc(-c4nn[n-]n4)cc3)cc2o1 ZINC000737489094 598650614 /nfs/dbraw/zinc/65/06/14/598650614.db2.gz VQXGMBBHUBCANB-UHFFFAOYSA-N -1 3 366.406 3.047 20 0 FGADHM COc1c(C)ccc(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)c1C ZINC000737025338 598653937 /nfs/dbraw/zinc/65/39/37/598653937.db2.gz YMWRAHXHBQEVBL-UHFFFAOYSA-N -1 3 369.450 3.223 20 0 FGADHM COc1c(C)ccc(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)c1C ZINC000737025338 598653939 /nfs/dbraw/zinc/65/39/39/598653939.db2.gz YMWRAHXHBQEVBL-UHFFFAOYSA-N -1 3 369.450 3.223 20 0 FGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)Nc1ccc(Cl)c(F)c1 ZINC000737941673 598654534 /nfs/dbraw/zinc/65/45/34/598654534.db2.gz OXESYWBOWYPAEM-UHFFFAOYSA-N -1 3 363.805 3.390 20 0 FGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)Nc1ccc(Cl)c(F)c1 ZINC000737941673 598654536 /nfs/dbraw/zinc/65/45/36/598654536.db2.gz OXESYWBOWYPAEM-UHFFFAOYSA-N -1 3 363.805 3.390 20 0 FGADHM CCc1cccc2c1N(C(=O)CSc1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000736696127 598656702 /nfs/dbraw/zinc/65/67/02/598656702.db2.gz UQGLVENOEJRLQL-UHFFFAOYSA-N -1 3 365.462 3.111 20 0 FGADHM CCc1cccc2c1N(C(=O)CSc1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000736696127 598656704 /nfs/dbraw/zinc/65/67/04/598656704.db2.gz UQGLVENOEJRLQL-UHFFFAOYSA-N -1 3 365.462 3.111 20 0 FGADHM CN(C(=O)c1ccc(-c2nnn[n-]2)cc1)[C@H](c1ccccc1)C(F)(F)F ZINC000736748792 598662305 /nfs/dbraw/zinc/66/23/05/598662305.db2.gz KQQBUJVRYUKHTI-CQSZACIVSA-N -1 3 361.327 3.242 20 0 FGADHM CN(C(=O)c1ccc(-c2nn[n-]n2)cc1)[C@H](c1ccccc1)C(F)(F)F ZINC000736748792 598662307 /nfs/dbraw/zinc/66/23/07/598662307.db2.gz KQQBUJVRYUKHTI-CQSZACIVSA-N -1 3 361.327 3.242 20 0 FGADHM C[C@]12CC3CC(C(=O)Nc4ccc(-c5nnn[n-]5)cn4)(C1)C[C@@](C)(C3)C2 ZINC000736227762 598663998 /nfs/dbraw/zinc/66/39/98/598663998.db2.gz FJPWNYLCEOVBDO-CMXJYWLISA-N -1 3 352.442 3.197 20 0 FGADHM C[C@]12CC3CC(C(=O)Nc4ccc(-c5nn[n-]n5)cn4)(C1)C[C@@](C)(C3)C2 ZINC000736227762 598664000 /nfs/dbraw/zinc/66/40/00/598664000.db2.gz FJPWNYLCEOVBDO-CMXJYWLISA-N -1 3 352.442 3.197 20 0 FGADHM CC(C)(C)[C@H]1CCCN1C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000735596544 598664582 /nfs/dbraw/zinc/66/45/82/598664582.db2.gz KBWQFQMITDWKTQ-QGZVFWFLSA-N -1 3 371.485 3.453 20 0 FGADHM CC(C)(C)[C@H]1CCCN1C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000735596544 598664583 /nfs/dbraw/zinc/66/45/83/598664583.db2.gz KBWQFQMITDWKTQ-QGZVFWFLSA-N -1 3 371.485 3.453 20 0 FGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N1CCC[C@H]1c1ccccc1 ZINC000737943061 598665726 /nfs/dbraw/zinc/66/57/26/598665726.db2.gz OWNOHGRVMLBOCC-KRWDZBQOSA-N -1 3 365.462 3.323 20 0 FGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N1CCC[C@H]1c1ccccc1 ZINC000737943061 598665727 /nfs/dbraw/zinc/66/57/27/598665727.db2.gz OWNOHGRVMLBOCC-KRWDZBQOSA-N -1 3 365.462 3.323 20 0 FGADHM CN(C[C@H]1OCCc2ccccc21)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736791321 598669469 /nfs/dbraw/zinc/66/94/69/598669469.db2.gz LHBQARRHDDWRIZ-QGZVFWFLSA-N -1 3 355.829 3.270 20 0 FGADHM CN(C[C@H]1OCCc2ccccc21)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736791321 598669471 /nfs/dbraw/zinc/66/94/71/598669471.db2.gz LHBQARRHDDWRIZ-QGZVFWFLSA-N -1 3 355.829 3.270 20 0 FGADHM Fc1ccc(CN[C@H](c2ccccc2)C(F)(F)F)c(-c2nnn[n-]2)c1 ZINC000737651390 598684543 /nfs/dbraw/zinc/68/45/43/598684543.db2.gz WRVOESPGZKHPGV-CQSZACIVSA-N -1 3 351.307 3.399 20 0 FGADHM Fc1ccc(CN[C@H](c2ccccc2)C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC000737651390 598684545 /nfs/dbraw/zinc/68/45/45/598684545.db2.gz WRVOESPGZKHPGV-CQSZACIVSA-N -1 3 351.307 3.399 20 0 FGADHM CCc1ccc(NC(=O)CSCc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000736692519 598698073 /nfs/dbraw/zinc/69/80/73/598698073.db2.gz WKGSZJNDYRGBEJ-UHFFFAOYSA-N -1 3 371.441 3.440 20 0 FGADHM CCc1ccc(NC(=O)CSCc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000736692519 598698075 /nfs/dbraw/zinc/69/80/75/598698075.db2.gz WKGSZJNDYRGBEJ-UHFFFAOYSA-N -1 3 371.441 3.440 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)C1(c2ccc(Cl)cc2)CC1 ZINC000738232547 598702231 /nfs/dbraw/zinc/70/22/31/598702231.db2.gz RZMCYGDKGDQTJU-UHFFFAOYSA-N -1 3 372.787 3.434 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)C1(c2ccc(Cl)cc2)CC1 ZINC000738232547 598702232 /nfs/dbraw/zinc/70/22/32/598702232.db2.gz RZMCYGDKGDQTJU-UHFFFAOYSA-N -1 3 372.787 3.434 20 0 FGADHM Cc1nc(C(C)C)sc1C(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737467903 598707853 /nfs/dbraw/zinc/70/78/53/598707853.db2.gz JRPXSCQICLYVIC-UHFFFAOYSA-N -1 3 361.402 3.251 20 0 FGADHM Cc1nc(C(C)C)sc1C(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737467903 598707855 /nfs/dbraw/zinc/70/78/55/598707855.db2.gz JRPXSCQICLYVIC-UHFFFAOYSA-N -1 3 361.402 3.251 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)c1[nH]c2ccccc2c1Cl ZINC000738232541 598708478 /nfs/dbraw/zinc/70/84/78/598708478.db2.gz RXLDIYGRQIRXNH-UHFFFAOYSA-N -1 3 371.759 3.498 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)c1[nH]c2ccccc2c1Cl ZINC000738232541 598708480 /nfs/dbraw/zinc/70/84/80/598708480.db2.gz RXLDIYGRQIRXNH-UHFFFAOYSA-N -1 3 371.759 3.498 20 0 FGADHM CC(=O)CCCOC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735458458 598711988 /nfs/dbraw/zinc/71/19/88/598711988.db2.gz NPCLFWHHPYFFPS-UHFFFAOYSA-N -1 3 366.377 3.185 20 0 FGADHM CC(=O)CCCOC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735458458 598711990 /nfs/dbraw/zinc/71/19/90/598711990.db2.gz NPCLFWHHPYFFPS-UHFFFAOYSA-N -1 3 366.377 3.185 20 0 FGADHM O=C(Nc1ccc(Oc2ccc(-c3nn[nH]n3)cc2)cc1)c1cncc([O-])c1 ZINC000738171110 598721011 /nfs/dbraw/zinc/72/10/11/598721011.db2.gz BDZIBGHAPZHKBT-UHFFFAOYSA-N -1 3 374.360 3.012 20 0 FGADHM CC(C)CCOC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000735811914 598725971 /nfs/dbraw/zinc/72/59/71/598725971.db2.gz ZVZNMHWZBNPVNE-UHFFFAOYSA-N -1 3 353.382 3.257 20 0 FGADHM CC(C)CCOC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000735811914 598725972 /nfs/dbraw/zinc/72/59/72/598725972.db2.gz ZVZNMHWZBNPVNE-UHFFFAOYSA-N -1 3 353.382 3.257 20 0 FGADHM Cc1ccccc1CCC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000737427533 598735105 /nfs/dbraw/zinc/73/51/05/598735105.db2.gz RZVBCMOOSHBRCG-UHFFFAOYSA-N -1 3 361.449 3.299 20 0 FGADHM Cc1ccccc1CCC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000737427533 598735106 /nfs/dbraw/zinc/73/51/06/598735106.db2.gz RZVBCMOOSHBRCG-UHFFFAOYSA-N -1 3 361.449 3.299 20 0 FGADHM O=C(COc1cccc(-c2nnn[n-]2)c1)O[C@@H]1CCc2c1cccc2Cl ZINC000737924737 598740537 /nfs/dbraw/zinc/74/05/37/598740537.db2.gz JQUROYJSLIPHBA-MRXNPFEDSA-N -1 3 370.796 3.130 20 0 FGADHM O=C(COc1cccc(-c2nn[n-]n2)c1)O[C@@H]1CCc2c1cccc2Cl ZINC000737924737 598740540 /nfs/dbraw/zinc/74/05/40/598740540.db2.gz JQUROYJSLIPHBA-MRXNPFEDSA-N -1 3 370.796 3.130 20 0 FGADHM Cc1ccccc1[C@H](C(C)C)N(C)C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000737415711 598764761 /nfs/dbraw/zinc/76/47/61/598764761.db2.gz SNDQKUVAKGZKBC-KRWDZBQOSA-N -1 3 350.426 3.039 20 0 FGADHM Cc1ccccc1[C@H](C(C)C)N(C)C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000737415711 598764763 /nfs/dbraw/zinc/76/47/63/598764763.db2.gz SNDQKUVAKGZKBC-KRWDZBQOSA-N -1 3 350.426 3.039 20 0 FGADHM Clc1ccccc1[C@@H]1CN(Cc2ccccc2-c2nnn[n-]2)CCO1 ZINC000737583923 598765256 /nfs/dbraw/zinc/76/52/56/598765256.db2.gz OCZQQTCVTIZUSH-KRWDZBQOSA-N -1 3 355.829 3.094 20 0 FGADHM Clc1ccccc1[C@@H]1CN(Cc2ccccc2-c2nn[n-]n2)CCO1 ZINC000737583923 598765258 /nfs/dbraw/zinc/76/52/58/598765258.db2.gz OCZQQTCVTIZUSH-KRWDZBQOSA-N -1 3 355.829 3.094 20 0 FGADHM Fc1ccc(-c2nnn[n-]2)cc1CN1CCO[C@@H](c2ccccc2Cl)C1 ZINC000737649154 598765272 /nfs/dbraw/zinc/76/52/72/598765272.db2.gz KMHRUKLJLAINAL-QGZVFWFLSA-N -1 3 373.819 3.233 20 0 FGADHM Fc1ccc(-c2nn[n-]n2)cc1CN1CCO[C@@H](c2ccccc2Cl)C1 ZINC000737649154 598765273 /nfs/dbraw/zinc/76/52/73/598765273.db2.gz KMHRUKLJLAINAL-QGZVFWFLSA-N -1 3 373.819 3.233 20 0 FGADHM CN(Cc1ccccc1)c1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21 ZINC000736827654 598768938 /nfs/dbraw/zinc/76/89/38/598768938.db2.gz FUVDKKWTAXMJHD-UHFFFAOYSA-N -1 3 352.348 3.330 20 0 FGADHM CN(Cc1ccccc1)c1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21 ZINC000736827654 598768940 /nfs/dbraw/zinc/76/89/40/598768940.db2.gz FUVDKKWTAXMJHD-UHFFFAOYSA-N -1 3 352.348 3.330 20 0 FGADHM Fc1cc(F)c(NC(=S)Nc2ccccc2-c2nnn[n-]2)cc1F ZINC000737645411 598789563 /nfs/dbraw/zinc/78/95/63/598789563.db2.gz XBRFLOXNWMCMMG-UHFFFAOYSA-N -1 3 350.329 3.093 20 0 FGADHM Fc1cc(F)c(NC(=S)Nc2ccccc2-c2nn[n-]n2)cc1F ZINC000737645411 598789565 /nfs/dbraw/zinc/78/95/65/598789565.db2.gz XBRFLOXNWMCMMG-UHFFFAOYSA-N -1 3 350.329 3.093 20 0 FGADHM C[C@@H](CCNc1ccc(Cl)cc1-c1nnn[n-]1)NC(=O)OC(C)(C)C ZINC000735987415 598795408 /nfs/dbraw/zinc/79/54/08/598795408.db2.gz UXRIXLWUMRLMCZ-JTQLQIEISA-N -1 3 366.853 3.235 20 0 FGADHM C[C@@H](CCNc1ccc(Cl)cc1-c1nn[n-]n1)NC(=O)OC(C)(C)C ZINC000735987415 598795409 /nfs/dbraw/zinc/79/54/09/598795409.db2.gz UXRIXLWUMRLMCZ-JTQLQIEISA-N -1 3 366.853 3.235 20 0 FGADHM O=C(Oc1ccc(-c2noc(C3CC3)n2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738250194 598799783 /nfs/dbraw/zinc/79/97/83/598799783.db2.gz DWNRIBWFTATVCJ-UHFFFAOYSA-N -1 3 374.360 3.013 20 0 FGADHM O=C(Oc1ccc(-c2noc(C3CC3)n2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738250194 598799785 /nfs/dbraw/zinc/79/97/85/598799785.db2.gz DWNRIBWFTATVCJ-UHFFFAOYSA-N -1 3 374.360 3.013 20 0 FGADHM O=C(CCCc1ccccc1)Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737835043 598807981 /nfs/dbraw/zinc/80/79/81/598807981.db2.gz CXMFLTLOQMXQJB-UHFFFAOYSA-N -1 3 373.420 3.014 20 0 FGADHM O=C(CCC1CCCCC1)Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737822187 598808996 /nfs/dbraw/zinc/80/89/96/598808996.db2.gz CDKBTABNTUXSIC-UHFFFAOYSA-N -1 3 365.441 3.351 20 0 FGADHM CC[C@H](C)[C@@H](C)NC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000736328385 598810071 /nfs/dbraw/zinc/81/00/71/598810071.db2.gz HLCDRAOERHQYKI-QWHCGFSZSA-N -1 3 369.425 3.203 20 0 FGADHM CC[C@H](C)[C@@H](C)NC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000736328385 598810073 /nfs/dbraw/zinc/81/00/73/598810073.db2.gz HLCDRAOERHQYKI-QWHCGFSZSA-N -1 3 369.425 3.203 20 0 FGADHM Cc1ccc(CN(Cc2ccco2)c2ncccc2-c2nnn[n-]2)s1 ZINC000737341577 598815399 /nfs/dbraw/zinc/81/53/99/598815399.db2.gz MFPYZRROKIZDEB-UHFFFAOYSA-N -1 3 352.423 3.431 20 0 FGADHM Cc1ccc(CN(Cc2ccco2)c2ncccc2-c2nn[n-]n2)s1 ZINC000737341577 598815401 /nfs/dbraw/zinc/81/54/01/598815401.db2.gz MFPYZRROKIZDEB-UHFFFAOYSA-N -1 3 352.423 3.431 20 0 FGADHM CC[C@@H](CC(=O)NCCSCc1ccccc1-c1nnn[n-]1)C(C)C ZINC000736333126 598815768 /nfs/dbraw/zinc/81/57/68/598815768.db2.gz PPUJIWADMTUJAA-AWEZNQCLSA-N -1 3 361.515 3.288 20 0 FGADHM CC[C@@H](CC(=O)NCCSCc1ccccc1-c1nn[n-]n1)C(C)C ZINC000736333126 598815770 /nfs/dbraw/zinc/81/57/70/598815770.db2.gz PPUJIWADMTUJAA-AWEZNQCLSA-N -1 3 361.515 3.288 20 0 FGADHM CC[C@H](CC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)C(C)C ZINC000736330329 598821232 /nfs/dbraw/zinc/82/12/32/598821232.db2.gz CJMAJLWLAOWYKP-SNVBAGLBSA-N -1 3 353.373 3.479 20 0 FGADHM CC[C@H](CC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)C(C)C ZINC000736330329 598821233 /nfs/dbraw/zinc/82/12/33/598821233.db2.gz CJMAJLWLAOWYKP-SNVBAGLBSA-N -1 3 353.373 3.479 20 0 FGADHM O=C(Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1)NC1CCC1 ZINC000823357263 599297963 /nfs/dbraw/zinc/29/79/63/599297963.db2.gz SJMUQCMCXRPMCN-UHFFFAOYSA-N -1 3 368.372 3.472 20 0 FGADHM O=C(Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1)NC1CCC1 ZINC000823357263 599297964 /nfs/dbraw/zinc/29/79/64/599297964.db2.gz SJMUQCMCXRPMCN-UHFFFAOYSA-N -1 3 368.372 3.472 20 0 FGADHM C[C@H]1SCCN(C(=O)c2cccc(-c3nnn[n-]3)c2)[C@@H]1c1ccccc1 ZINC000736303748 599302910 /nfs/dbraw/zinc/30/29/10/599302910.db2.gz SNQXRQGTKNKHKC-DYVFJYSZSA-N -1 3 365.462 3.186 20 0 FGADHM C[C@H]1SCCN(C(=O)c2cccc(-c3nn[n-]n3)c2)[C@@H]1c1ccccc1 ZINC000736303748 599302913 /nfs/dbraw/zinc/30/29/13/599302913.db2.gz SNQXRQGTKNKHKC-DYVFJYSZSA-N -1 3 365.462 3.186 20 0 FGADHM Cc1noc(NC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)c1C ZINC000737547293 599303247 /nfs/dbraw/zinc/30/32/47/599303247.db2.gz SQHJYOXHNWUGJS-UHFFFAOYSA-N -1 3 360.377 3.391 20 0 FGADHM Cc1noc(NC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)c1C ZINC000737547293 599303250 /nfs/dbraw/zinc/30/32/50/599303250.db2.gz SQHJYOXHNWUGJS-UHFFFAOYSA-N -1 3 360.377 3.391 20 0 FGADHM CC(C)(C)[C@@H]1OCCC[C@@H]1CNc1c(F)cc(-c2nnn[n-]2)cc1F ZINC000735597953 599304846 /nfs/dbraw/zinc/30/48/46/599304846.db2.gz URVKSPABWXAVQH-MEBBXXQBSA-N -1 3 351.401 3.398 20 0 FGADHM CC(C)(C)[C@@H]1OCCC[C@@H]1CNc1c(F)cc(-c2nn[n-]n2)cc1F ZINC000735597953 599304849 /nfs/dbraw/zinc/30/48/49/599304849.db2.gz URVKSPABWXAVQH-MEBBXXQBSA-N -1 3 351.401 3.398 20 0 FGADHM CCN(C(=O)Cc1c(F)cccc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000736504981 599311692 /nfs/dbraw/zinc/31/16/92/599311692.db2.gz JZSDPZPXMYRNSS-UHFFFAOYSA-N -1 3 359.792 3.255 20 0 FGADHM CCN(C(=O)Cc1c(F)cccc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000736504981 599311695 /nfs/dbraw/zinc/31/16/95/599311695.db2.gz JZSDPZPXMYRNSS-UHFFFAOYSA-N -1 3 359.792 3.255 20 0 FGADHM Cc1nc(-c2ccccc2)oc1C(=O)N(C)c1cccc(-c2nnn[n-]2)c1 ZINC000737463160 599314537 /nfs/dbraw/zinc/31/45/37/599314537.db2.gz KYGWVTYVPLTXNP-UHFFFAOYSA-N -1 3 360.377 3.107 20 0 FGADHM Cc1nc(-c2ccccc2)oc1C(=O)N(C)c1cccc(-c2nn[n-]n2)c1 ZINC000737463160 599314540 /nfs/dbraw/zinc/31/45/40/599314540.db2.gz KYGWVTYVPLTXNP-UHFFFAOYSA-N -1 3 360.377 3.107 20 0 FGADHM CCN(C(=O)N1CCc2ccccc21)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736505100 599351914 /nfs/dbraw/zinc/35/19/14/599351914.db2.gz GYAXAYUAMNIMQO-AWEZNQCLSA-N -1 3 362.437 3.432 20 0 FGADHM CCN(C(=O)N1CCc2ccccc21)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736505100 599351916 /nfs/dbraw/zinc/35/19/16/599351916.db2.gz GYAXAYUAMNIMQO-AWEZNQCLSA-N -1 3 362.437 3.432 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1CNc1ccc(OCC2CC2)cc1 ZINC000821736093 607370937 /nfs/dbraw/zinc/37/09/37/607370937.db2.gz ATLFEWCHXIQHAE-UHFFFAOYSA-N -1 3 351.410 3.276 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1CNc1ccc(OCC2CC2)cc1 ZINC000821736093 607370939 /nfs/dbraw/zinc/37/09/39/607370939.db2.gz ATLFEWCHXIQHAE-UHFFFAOYSA-N -1 3 351.410 3.276 20 0 FGADHM CCC[C@H](O)CC(=O)OCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000736434103 599368493 /nfs/dbraw/zinc/36/84/93/599368493.db2.gz DCHQQYJUIFPLKP-INIZCTEOSA-N -1 3 366.421 3.128 20 0 FGADHM CCC[C@H](O)CC(=O)OCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000736434103 599368495 /nfs/dbraw/zinc/36/84/95/599368495.db2.gz DCHQQYJUIFPLKP-INIZCTEOSA-N -1 3 366.421 3.128 20 0 FGADHM C[C@@H](Nc1ccc(N2CCOCC2)c(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820455993 599373360 /nfs/dbraw/zinc/37/33/60/599373360.db2.gz OZACBRPASUYVCP-CYBMUJFWSA-N -1 3 368.416 3.016 20 0 FGADHM C[C@@H](Nc1ccc(N2CCOCC2)c(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820455993 599373363 /nfs/dbraw/zinc/37/33/63/599373363.db2.gz OZACBRPASUYVCP-CYBMUJFWSA-N -1 3 368.416 3.016 20 0 FGADHM C[C@@H](N[C@@H](C)c1nc(-c2cccs2)no1)c1cccc(-c2nnn[n-]2)c1 ZINC000820414300 599388473 /nfs/dbraw/zinc/38/84/73/599388473.db2.gz XPMULXZBHRSJMQ-MNOVXSKESA-N -1 3 367.438 3.390 20 0 FGADHM C[C@@H](N[C@@H](C)c1nc(-c2cccs2)no1)c1cccc(-c2nn[n-]n2)c1 ZINC000820414300 599388476 /nfs/dbraw/zinc/38/84/76/599388476.db2.gz XPMULXZBHRSJMQ-MNOVXSKESA-N -1 3 367.438 3.390 20 0 FGADHM Cc1ccc(Cl)cc1OCC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000822239932 599389265 /nfs/dbraw/zinc/38/92/65/599389265.db2.gz LDMHRWNOPYLZPO-LBPRGKRZSA-N -1 3 371.828 3.085 20 0 FGADHM Cc1ccc(Cl)cc1OCC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000822239932 599389269 /nfs/dbraw/zinc/38/92/69/599389269.db2.gz LDMHRWNOPYLZPO-LBPRGKRZSA-N -1 3 371.828 3.085 20 0 FGADHM COC(=O)[C@H](N[C@H](C)c1cccc(-c2nnn[n-]2)c1)c1cccc(Cl)c1 ZINC000821640944 599390839 /nfs/dbraw/zinc/39/08/39/599390839.db2.gz SJIGCPANNZXOAR-BDJLRTHQSA-N -1 3 371.828 3.085 20 0 FGADHM COC(=O)[C@H](N[C@H](C)c1cccc(-c2nn[n-]n2)c1)c1cccc(Cl)c1 ZINC000821640944 599390841 /nfs/dbraw/zinc/39/08/41/599390841.db2.gz SJIGCPANNZXOAR-BDJLRTHQSA-N -1 3 371.828 3.085 20 0 FGADHM COc1ccc(CN(C)c2cc(Cl)ccc2-c2nnn[n-]2)c(OC)c1 ZINC000737090518 599395548 /nfs/dbraw/zinc/39/55/48/599395548.db2.gz IABJUBHKUUAXIY-UHFFFAOYSA-N -1 3 359.817 3.174 20 0 FGADHM COc1ccc(CN(C)c2cc(Cl)ccc2-c2nn[n-]n2)c(OC)c1 ZINC000737090518 599395551 /nfs/dbraw/zinc/39/55/51/599395551.db2.gz IABJUBHKUUAXIY-UHFFFAOYSA-N -1 3 359.817 3.174 20 0 FGADHM CC[C@H](CC1CCCC1)C(=O)OCC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825115431 607373226 /nfs/dbraw/zinc/37/32/26/607373226.db2.gz YIVGNCIZUZVQTH-CQSZACIVSA-N -1 3 356.426 3.199 20 0 FGADHM CC[C@H](CC1CCCC1)C(=O)OCC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825115431 607373228 /nfs/dbraw/zinc/37/32/28/607373228.db2.gz YIVGNCIZUZVQTH-CQSZACIVSA-N -1 3 356.426 3.199 20 0 FGADHM Cc1ccccc1[C@H](C)CC(=O)OCC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826305582 607373251 /nfs/dbraw/zinc/37/32/51/607373251.db2.gz BPGVKRQNYGAEMX-CQSZACIVSA-N -1 3 364.405 3.095 20 0 FGADHM Cc1ccccc1[C@H](C)CC(=O)OCC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826305582 607373252 /nfs/dbraw/zinc/37/32/52/607373252.db2.gz BPGVKRQNYGAEMX-CQSZACIVSA-N -1 3 364.405 3.095 20 0 FGADHM C[C@H](NC(=O)NCCCCc1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820364932 599400962 /nfs/dbraw/zinc/40/09/62/599400962.db2.gz GYTVKSYKWGOEMC-HNNXBMFYSA-N -1 3 364.453 3.250 20 0 FGADHM C[C@H](NC(=O)NCCCCc1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820364932 599400965 /nfs/dbraw/zinc/40/09/65/599400965.db2.gz GYTVKSYKWGOEMC-HNNXBMFYSA-N -1 3 364.453 3.250 20 0 FGADHM C[C@@H]1CCCC[C@H]1OCCNc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000736271050 599410014 /nfs/dbraw/zinc/41/00/14/599410014.db2.gz MGQDVAAIKJJBPU-CXAGYDPISA-N -1 3 352.442 3.422 20 0 FGADHM C[C@@H]1CCCC[C@H]1OCCNc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000736271050 599410015 /nfs/dbraw/zinc/41/00/15/599410015.db2.gz MGQDVAAIKJJBPU-CXAGYDPISA-N -1 3 352.442 3.422 20 0 FGADHM C[C@H](NC(=O)NCc1ccc([C@H]2C[C@@H]2C)o1)c1cccc(-c2nnn[n-]2)c1 ZINC000820374471 599411173 /nfs/dbraw/zinc/41/11/73/599411173.db2.gz NYYJONJLYSPEEN-MKBNYLNASA-N -1 3 366.425 3.144 20 0 FGADHM C[C@H](NC(=O)NCc1ccc([C@H]2C[C@@H]2C)o1)c1cccc(-c2nn[n-]n2)c1 ZINC000820374471 599411174 /nfs/dbraw/zinc/41/11/74/599411174.db2.gz NYYJONJLYSPEEN-MKBNYLNASA-N -1 3 366.425 3.144 20 0 FGADHM C[C@H](Nc1cc(-c2nnn[n-]2)c2ccccc2n1)c1nc2ccccc2[nH]1 ZINC000736134314 599418666 /nfs/dbraw/zinc/41/86/66/599418666.db2.gz BKVUFEGPAVSJRQ-NSHDSACASA-N -1 3 356.393 3.464 20 0 FGADHM C[C@H](Nc1cc(-c2nn[n-]n2)c2ccccc2n1)c1nc2ccccc2[nH]1 ZINC000736134314 599418669 /nfs/dbraw/zinc/41/86/69/599418669.db2.gz BKVUFEGPAVSJRQ-NSHDSACASA-N -1 3 356.393 3.464 20 0 FGADHM C[C@@H](NC(=O)N1CC[C@H]1c1cccc(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820339224 599419381 /nfs/dbraw/zinc/41/93/81/599419381.db2.gz ACKIVQLECSZZJZ-PXAZEXFGSA-N -1 3 366.400 3.223 20 0 FGADHM C[C@@H](NC(=O)N1CC[C@H]1c1cccc(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820339224 599419384 /nfs/dbraw/zinc/41/93/84/599419384.db2.gz ACKIVQLECSZZJZ-PXAZEXFGSA-N -1 3 366.400 3.223 20 0 FGADHM Cc1ccc2c(c1)CC[C@@H]2NC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822275166 599423347 /nfs/dbraw/zinc/42/33/47/599423347.db2.gz OUDIMFTYNFJWJH-ACJLOTCBSA-N -1 3 362.437 3.223 20 0 FGADHM Cc1ccc2c(c1)CC[C@@H]2NC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822275166 599423351 /nfs/dbraw/zinc/42/33/51/599423351.db2.gz OUDIMFTYNFJWJH-ACJLOTCBSA-N -1 3 362.437 3.223 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1CSc1nc2cc(Cl)cnc2[nH]1 ZINC000821752176 607376291 /nfs/dbraw/zinc/37/62/91/607376291.db2.gz HTLWDMWFEXHOAH-UHFFFAOYSA-N -1 3 373.829 3.092 20 0 FGADHM COc1cccc2c1OCC[C@@H]2Nc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000737143122 599425449 /nfs/dbraw/zinc/42/54/49/599425449.db2.gz PFELOYZGSOMDRO-INIZCTEOSA-N -1 3 374.404 3.359 20 0 FGADHM COc1cccc2c1OCC[C@@H]2Nc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000737143122 599425452 /nfs/dbraw/zinc/42/54/52/599425452.db2.gz PFELOYZGSOMDRO-INIZCTEOSA-N -1 3 374.404 3.359 20 0 FGADHM C[C@@H](NC(=O)NCc1ccc(F)c(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820372668 599430306 /nfs/dbraw/zinc/43/03/06/599430306.db2.gz AZQILLUYEZLURA-SNVBAGLBSA-N -1 3 374.807 3.220 20 0 FGADHM C[C@@H](NC(=O)NCc1ccc(F)c(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820372668 599430308 /nfs/dbraw/zinc/43/03/08/599430308.db2.gz AZQILLUYEZLURA-SNVBAGLBSA-N -1 3 374.807 3.220 20 0 FGADHM CCC(CC)c1cc(CNCc2ccc(OC)c(-c3nnn[n-]3)c2)on1 ZINC000820897688 599449091 /nfs/dbraw/zinc/44/90/91/599449091.db2.gz LRJNIPFEGOQNPZ-UHFFFAOYSA-N -1 3 356.430 3.057 20 0 FGADHM CCC(CC)c1cc(CNCc2ccc(OC)c(-c3nn[n-]n3)c2)on1 ZINC000820897688 599449092 /nfs/dbraw/zinc/44/90/92/599449092.db2.gz LRJNIPFEGOQNPZ-UHFFFAOYSA-N -1 3 356.430 3.057 20 0 FGADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)N1CCCCC[C@@H]1c1ccco1 ZINC000737962070 599469937 /nfs/dbraw/zinc/46/99/37/599469937.db2.gz NQYODDHQQHZCHD-MRXNPFEDSA-N -1 3 351.410 3.146 20 0 FGADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)N1CCCCC[C@@H]1c1ccco1 ZINC000737962070 599469940 /nfs/dbraw/zinc/46/99/40/599469940.db2.gz NQYODDHQQHZCHD-MRXNPFEDSA-N -1 3 351.410 3.146 20 0 FGADHM c1cc(-c2nnn[n-]2)ccc1CNc1ccc(OCC2CCOCC2)cc1 ZINC000738413310 599475810 /nfs/dbraw/zinc/47/58/10/599475810.db2.gz SSPRMGBYXBNAJD-UHFFFAOYSA-N -1 3 365.437 3.284 20 0 FGADHM c1cc(-c2nn[n-]n2)ccc1CNc1ccc(OCC2CCOCC2)cc1 ZINC000738413310 599475812 /nfs/dbraw/zinc/47/58/12/599475812.db2.gz SSPRMGBYXBNAJD-UHFFFAOYSA-N -1 3 365.437 3.284 20 0 FGADHM C[C@H](NC(=O)N1C[C@@H](C)[C@H]1c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820341305 599476153 /nfs/dbraw/zinc/47/61/53/599476153.db2.gz PQSWJJFLSIHCBY-GLJUWKHASA-N -1 3 362.437 3.330 20 0 FGADHM C[C@H](NC(=O)N1C[C@@H](C)[C@H]1c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820341305 599476155 /nfs/dbraw/zinc/47/61/55/599476155.db2.gz PQSWJJFLSIHCBY-GLJUWKHASA-N -1 3 362.437 3.330 20 0 FGADHM C[C@@H](NC(=O)N1CCC[C@@H]1c1ccco1)c1cccc(-c2nnn[n-]2)c1 ZINC000820353033 599478891 /nfs/dbraw/zinc/47/88/91/599478891.db2.gz XHKNDUIKYFKDPK-IUODEOHRSA-N -1 3 352.398 3.067 20 0 FGADHM C[C@@H](NC(=O)N1CCC[C@@H]1c1ccco1)c1cccc(-c2nn[n-]n2)c1 ZINC000820353033 599478893 /nfs/dbraw/zinc/47/88/93/599478893.db2.gz XHKNDUIKYFKDPK-IUODEOHRSA-N -1 3 352.398 3.067 20 0 FGADHM C[C@H](c1cccs1)N(C)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820339455 599482050 /nfs/dbraw/zinc/48/20/50/599482050.db2.gz CJMYLVCANFSHNQ-NWDGAFQWSA-N -1 3 356.455 3.392 20 0 FGADHM C[C@H](c1cccs1)N(C)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820339455 599482051 /nfs/dbraw/zinc/48/20/51/599482051.db2.gz CJMYLVCANFSHNQ-NWDGAFQWSA-N -1 3 356.455 3.392 20 0 FGADHM Fc1ccc(NCc2cc(Br)cs2)c(-c2nnn[n-]2)c1 ZINC000822782692 599483624 /nfs/dbraw/zinc/48/36/24/599483624.db2.gz AZWVPZOGWVPNLR-UHFFFAOYSA-N -1 3 354.208 3.442 20 0 FGADHM Fc1ccc(NCc2cc(Br)cs2)c(-c2nn[n-]n2)c1 ZINC000822782692 599483625 /nfs/dbraw/zinc/48/36/25/599483625.db2.gz AZWVPZOGWVPNLR-UHFFFAOYSA-N -1 3 354.208 3.442 20 0 FGADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N[C@@H]1CCc2c1cccc2F ZINC000822335213 599493270 /nfs/dbraw/zinc/49/32/70/599493270.db2.gz JCHFYGMMXBXCEZ-QGZVFWFLSA-N -1 3 360.396 3.384 20 0 FGADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N[C@@H]1CCc2c1cccc2F ZINC000822335213 599493273 /nfs/dbraw/zinc/49/32/73/599493273.db2.gz JCHFYGMMXBXCEZ-QGZVFWFLSA-N -1 3 360.396 3.384 20 0 FGADHM O=C(OCCCc1cccc2ccccc21)c1ccc(-c2nnn[n-]2)cn1 ZINC000738221517 599497727 /nfs/dbraw/zinc/49/77/27/599497727.db2.gz KGFBRIGUNAVBLP-UHFFFAOYSA-N -1 3 359.389 3.205 20 0 FGADHM O=C(OCCCc1cccc2ccccc21)c1ccc(-c2nn[n-]n2)cn1 ZINC000738221517 599497729 /nfs/dbraw/zinc/49/77/29/599497729.db2.gz KGFBRIGUNAVBLP-UHFFFAOYSA-N -1 3 359.389 3.205 20 0 FGADHM C[C@@H](NC(=O)[C@@H](C)Cc1cccc(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820299815 599501229 /nfs/dbraw/zinc/50/12/29/599501229.db2.gz KVKPPEZPBJSRHY-QWHCGFSZSA-N -1 3 353.401 3.062 20 0 FGADHM C[C@@H](NC(=O)[C@@H](C)Cc1cccc(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820299815 599501230 /nfs/dbraw/zinc/50/12/30/599501230.db2.gz KVKPPEZPBJSRHY-QWHCGFSZSA-N -1 3 353.401 3.062 20 0 FGADHM C[C@H](NC(=O)c1ccc(-c2cnco2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820390810 599504059 /nfs/dbraw/zinc/50/40/59/599504059.db2.gz LDXVJCSYYIYVMO-LBPRGKRZSA-N -1 3 360.377 3.013 20 0 FGADHM C[C@H](NC(=O)c1ccc(-c2cnco2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820390810 599504060 /nfs/dbraw/zinc/50/40/60/599504060.db2.gz LDXVJCSYYIYVMO-LBPRGKRZSA-N -1 3 360.377 3.013 20 0 FGADHM Cc1ccc(N[C@@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000737359474 599510222 /nfs/dbraw/zinc/51/02/22/599510222.db2.gz GWDBKHJJSZYELN-NSHDSACASA-N -1 3 356.817 3.268 20 0 FGADHM Cc1ccc(N[C@@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000737359474 599510224 /nfs/dbraw/zinc/51/02/24/599510224.db2.gz GWDBKHJJSZYELN-NSHDSACASA-N -1 3 356.817 3.268 20 0 FGADHM CC(C)Cc1ccc(CC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000820108977 599513531 /nfs/dbraw/zinc/51/35/31/599513531.db2.gz XLTZPIILEWJIPG-OAHLLOKOSA-N -1 3 363.465 3.485 20 0 FGADHM CC(C)Cc1ccc(CC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000820108977 599513532 /nfs/dbraw/zinc/51/35/32/599513532.db2.gz XLTZPIILEWJIPG-OAHLLOKOSA-N -1 3 363.465 3.485 20 0 FGADHM CN(C[C@@H]1OCCc2ccccc21)c1c(Cl)cccc1-c1nnn[n-]1 ZINC000821598011 599514462 /nfs/dbraw/zinc/51/44/62/599514462.db2.gz NUYKEJNEWMLGGC-INIZCTEOSA-N -1 3 355.829 3.270 20 0 FGADHM CN(C[C@@H]1OCCc2ccccc21)c1c(Cl)cccc1-c1nn[n-]n1 ZINC000821598011 599514463 /nfs/dbraw/zinc/51/44/63/599514463.db2.gz NUYKEJNEWMLGGC-INIZCTEOSA-N -1 3 355.829 3.270 20 0 FGADHM C[C@H](NC(=O)[C@H]1CCSc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820322753 599516100 /nfs/dbraw/zinc/51/61/00/599516100.db2.gz VGJNQJTZOGARIX-LRDDRELGSA-N -1 3 365.462 3.324 20 0 FGADHM C[C@H](NC(=O)[C@H]1CCSc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820322753 599516103 /nfs/dbraw/zinc/51/61/03/599516103.db2.gz VGJNQJTZOGARIX-LRDDRELGSA-N -1 3 365.462 3.324 20 0 FGADHM CCOc1ccc(CCC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821416684 599517941 /nfs/dbraw/zinc/51/79/41/599517941.db2.gz CGRALFZRLHILSL-AWEZNQCLSA-N -1 3 365.437 3.075 20 0 FGADHM CCOc1ccc(CCC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821416684 599517943 /nfs/dbraw/zinc/51/79/43/599517943.db2.gz CGRALFZRLHILSL-AWEZNQCLSA-N -1 3 365.437 3.075 20 0 FGADHM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820938272 599522164 /nfs/dbraw/zinc/52/21/64/599522164.db2.gz HTXFQQYNSPPHDZ-DTDBQYNISA-N -1 3 371.485 3.418 20 0 FGADHM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820938272 599522166 /nfs/dbraw/zinc/52/21/66/599522166.db2.gz HTXFQQYNSPPHDZ-DTDBQYNISA-N -1 3 371.485 3.418 20 0 FGADHM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820938274 599522176 /nfs/dbraw/zinc/52/21/76/599522176.db2.gz HTXFQQYNSPPHDZ-JFTQMJAMSA-N -1 3 371.485 3.418 20 0 FGADHM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820938274 599522178 /nfs/dbraw/zinc/52/21/78/599522178.db2.gz HTXFQQYNSPPHDZ-JFTQMJAMSA-N -1 3 371.485 3.418 20 0 FGADHM C[C@@H](NC(=O)c1ccc(-c2ccccc2)[nH]1)c1cccc(-c2nnn[n-]2)c1 ZINC000820392567 599524341 /nfs/dbraw/zinc/52/43/41/599524341.db2.gz WCNYOCBGHYTGAT-CYBMUJFWSA-N -1 3 358.405 3.353 20 0 FGADHM C[C@@H](NC(=O)c1ccc(-c2ccccc2)[nH]1)c1cccc(-c2nn[n-]n2)c1 ZINC000820392567 599524343 /nfs/dbraw/zinc/52/43/43/599524343.db2.gz WCNYOCBGHYTGAT-CYBMUJFWSA-N -1 3 358.405 3.353 20 0 FGADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2NCc1cc(F)ccc1F ZINC000822336356 599528793 /nfs/dbraw/zinc/52/87/93/599528793.db2.gz PLRLFKFVSAWERQ-UHFFFAOYSA-N -1 3 352.348 3.036 20 0 FGADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2NCc1cc(F)ccc1F ZINC000822336356 599528795 /nfs/dbraw/zinc/52/87/95/599528795.db2.gz PLRLFKFVSAWERQ-UHFFFAOYSA-N -1 3 352.348 3.036 20 0 FGADHM c1ccc([C@H]2CN(c3c(-c4nnn[n-]4)cnc4ccccc43)CCCO2)cc1 ZINC000823779769 599529848 /nfs/dbraw/zinc/52/98/48/599529848.db2.gz ITHKSHBEENLNIB-LJQANCHMSA-N -1 3 372.432 3.383 20 0 FGADHM c1ccc([C@H]2CN(c3c(-c4nn[n-]n4)cnc4ccccc43)CCCO2)cc1 ZINC000823779769 599529850 /nfs/dbraw/zinc/52/98/50/599529850.db2.gz ITHKSHBEENLNIB-LJQANCHMSA-N -1 3 372.432 3.383 20 0 FGADHM C[C@@H](NC(=O)c1cc(-c2cccs2)on1)c1cccc(-c2nnn[n-]2)c1 ZINC000820384484 599534323 /nfs/dbraw/zinc/53/43/23/599534323.db2.gz GKALVGUAGOUCOW-SNVBAGLBSA-N -1 3 366.406 3.074 20 0 FGADHM C[C@@H](NC(=O)c1cc(-c2cccs2)on1)c1cccc(-c2nn[n-]n2)c1 ZINC000820384484 599534327 /nfs/dbraw/zinc/53/43/27/599534327.db2.gz GKALVGUAGOUCOW-SNVBAGLBSA-N -1 3 366.406 3.074 20 0 FGADHM C[C@@H](NC(=O)CCc1cc(Cl)cs1)c1cccc(-c2nnn[n-]2)c1 ZINC000820328322 599536060 /nfs/dbraw/zinc/53/60/60/599536060.db2.gz PCSJWYFYTBGJDX-SNVBAGLBSA-N -1 3 361.858 3.392 20 0 FGADHM C[C@@H](NC(=O)CCc1cc(Cl)cs1)c1cccc(-c2nn[n-]n2)c1 ZINC000820328322 599536063 /nfs/dbraw/zinc/53/60/63/599536063.db2.gz PCSJWYFYTBGJDX-SNVBAGLBSA-N -1 3 361.858 3.392 20 0 FGADHM COc1ccccc1[C@H]1CCN(c2c(F)cc(-c3nnn[n-]3)cc2F)C1 ZINC000737145026 599536886 /nfs/dbraw/zinc/53/68/86/599536886.db2.gz APKFBCDNNITURU-NSHDSACASA-N -1 3 357.364 3.147 20 0 FGADHM COc1ccccc1[C@H]1CCN(c2c(F)cc(-c3nn[n-]n3)cc2F)C1 ZINC000737145026 599536888 /nfs/dbraw/zinc/53/68/88/599536888.db2.gz APKFBCDNNITURU-NSHDSACASA-N -1 3 357.364 3.147 20 0 FGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H](C)c1cccs1 ZINC000735905275 599544075 /nfs/dbraw/zinc/54/40/75/599544075.db2.gz ZMWTYWZXYCCZAR-LLVKDONJSA-N -1 3 357.439 3.458 20 0 FGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H](C)c1cccs1 ZINC000735905275 599544076 /nfs/dbraw/zinc/54/40/76/599544076.db2.gz ZMWTYWZXYCCZAR-LLVKDONJSA-N -1 3 357.439 3.458 20 0 FGADHM Cc1ncsc1CN(C)c1c(-c2nnn[n-]2)cnc2c(C)cc(F)cc21 ZINC000822482366 599547396 /nfs/dbraw/zinc/54/73/96/599547396.db2.gz RATRRZRPHWCSIW-UHFFFAOYSA-N -1 3 369.429 3.264 20 0 FGADHM Cc1ncsc1CN(C)c1c(-c2nn[n-]n2)cnc2c(C)cc(F)cc21 ZINC000822482366 599547398 /nfs/dbraw/zinc/54/73/98/599547398.db2.gz RATRRZRPHWCSIW-UHFFFAOYSA-N -1 3 369.429 3.264 20 0 FGADHM Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000737422701 599549089 /nfs/dbraw/zinc/54/90/89/599549089.db2.gz RHWATJMMWUBBHM-MAUKXSAKSA-N -1 3 361.449 3.122 20 0 FGADHM Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737422701 599549091 /nfs/dbraw/zinc/54/90/91/599549091.db2.gz RHWATJMMWUBBHM-MAUKXSAKSA-N -1 3 361.449 3.122 20 0 FGADHM C[C@@H]1CCN(C(=O)C=Cc2ccccc2-c2nnn[n-]2)[C@H](c2ccco2)C1 ZINC000820715340 599549357 /nfs/dbraw/zinc/54/93/57/599549357.db2.gz AMKBKWYBMRPWTE-OVULNCGTSA-N -1 3 363.421 3.473 20 0 FGADHM C[C@@H]1CCN(C(=O)C=Cc2ccccc2-c2nn[n-]n2)[C@H](c2ccco2)C1 ZINC000820715340 599549359 /nfs/dbraw/zinc/54/93/59/599549359.db2.gz AMKBKWYBMRPWTE-OVULNCGTSA-N -1 3 363.421 3.473 20 0 FGADHM C[C@@](O)(CNc1c(Cl)cccc1-c1nnn[n-]1)c1ccc(F)cc1F ZINC000820469280 599556909 /nfs/dbraw/zinc/55/69/09/599556909.db2.gz ZMAFWABMNJZYQW-MRXNPFEDSA-N -1 3 365.771 3.118 20 0 FGADHM C[C@@](O)(CNc1c(Cl)cccc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC000820469280 599556911 /nfs/dbraw/zinc/55/69/11/599556911.db2.gz ZMAFWABMNJZYQW-MRXNPFEDSA-N -1 3 365.771 3.118 20 0 FGADHM Fc1ccc(NCCc2ccc(Br)cc2)c(-c2nnn[n-]2)c1 ZINC000822782699 599562890 /nfs/dbraw/zinc/56/28/90/599562890.db2.gz BHQVDGCSBQGSAE-UHFFFAOYSA-N -1 3 362.206 3.423 20 0 FGADHM Fc1ccc(NCCc2ccc(Br)cc2)c(-c2nn[n-]n2)c1 ZINC000822782699 599562892 /nfs/dbraw/zinc/56/28/92/599562892.db2.gz BHQVDGCSBQGSAE-UHFFFAOYSA-N -1 3 362.206 3.423 20 0 FGADHM Cc1nsc(NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)n1 ZINC000822535438 599567308 /nfs/dbraw/zinc/56/73/08/599567308.db2.gz RHTAKQNSUOQCOD-UHFFFAOYSA-N -1 3 355.452 3.367 20 0 FGADHM CC1(C)C[C@H]1CNC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736211966 599568829 /nfs/dbraw/zinc/56/88/29/599568829.db2.gz SVXWZRMUNLCDOK-HNNXBMFYSA-N -1 3 362.437 3.386 20 0 FGADHM Cc1ccc([C@@H](C)CNC(=O)Nc2cc(-c3nnn[n-]3)ccc2C)cc1 ZINC000737320266 599611100 /nfs/dbraw/zinc/61/11/00/599611100.db2.gz JSHHVYMJIGYWFO-AWEZNQCLSA-N -1 3 350.426 3.409 20 0 FGADHM Cc1ccc([C@@H](C)CNC(=O)Nc2cc(-c3nn[n-]n3)ccc2C)cc1 ZINC000737320266 599611102 /nfs/dbraw/zinc/61/11/02/599611102.db2.gz JSHHVYMJIGYWFO-AWEZNQCLSA-N -1 3 350.426 3.409 20 0 FGADHM O=C(OCc1ccccc1-c1nnn[n-]1)[C@@H]1C[C@]12CCCc1ccccc12 ZINC000823431297 599620987 /nfs/dbraw/zinc/62/09/87/599620987.db2.gz PMOHCMFPUNALFR-RXVVDRJESA-N -1 3 360.417 3.204 20 0 FGADHM O=C(OCc1ccccc1-c1nn[n-]n1)[C@@H]1C[C@]12CCCc1ccccc12 ZINC000823431297 599620988 /nfs/dbraw/zinc/62/09/88/599620988.db2.gz PMOHCMFPUNALFR-RXVVDRJESA-N -1 3 360.417 3.204 20 0 FGADHM O=C(OCCOc1ccc(-c2nn[n-]n2)cc1)[C@H]1C[C@H]1C1CCCCC1 ZINC000823409421 599624121 /nfs/dbraw/zinc/62/41/21/599624121.db2.gz HDUGNDDBEFLSQX-IRXDYDNUSA-N -1 3 356.426 3.005 20 0 FGADHM CC[C@@H](Cc1ccccc1)OC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000820916145 599625666 /nfs/dbraw/zinc/62/56/66/599625666.db2.gz ZMKLPYNFFJZKPZ-PBHICJAKSA-N -1 3 366.421 3.199 20 0 FGADHM O=C(Nc1sccc1-c1nnn[n-]1)[C@@H]1C[C@]12CCCc1ccccc12 ZINC000823387439 599629991 /nfs/dbraw/zinc/62/99/91/599629991.db2.gz JYIYXEHZCCETCV-KSSFIOAISA-N -1 3 351.435 3.161 20 0 FGADHM O=C(Nc1sccc1-c1nn[n-]n1)[C@@H]1C[C@]12CCCc1ccccc12 ZINC000823387439 599629992 /nfs/dbraw/zinc/62/99/92/599629992.db2.gz JYIYXEHZCCETCV-KSSFIOAISA-N -1 3 351.435 3.161 20 0 FGADHM O=C([C@@H]1CCCS1)N(Cc1ccccc1)c1ccccc1-c1nnn[n-]1 ZINC000822918081 599630795 /nfs/dbraw/zinc/63/07/95/599630795.db2.gz ZLTCYURKVVCOME-KRWDZBQOSA-N -1 3 365.462 3.296 20 0 FGADHM O=C([C@@H]1CCCS1)N(Cc1ccccc1)c1ccccc1-c1nn[n-]n1 ZINC000822918081 599630796 /nfs/dbraw/zinc/63/07/96/599630796.db2.gz ZLTCYURKVVCOME-KRWDZBQOSA-N -1 3 365.462 3.296 20 0 FGADHM Cc1cccc(CC(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c1 ZINC000822299416 599633237 /nfs/dbraw/zinc/63/32/37/599633237.db2.gz IFWFWTXRHICCPX-UHFFFAOYSA-N -1 3 361.327 3.375 20 0 FGADHM Cc1cccc(CC(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c1 ZINC000822299416 599633238 /nfs/dbraw/zinc/63/32/38/599633238.db2.gz IFWFWTXRHICCPX-UHFFFAOYSA-N -1 3 361.327 3.375 20 0 FGADHM Cc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c(C)n1 ZINC000822226494 599634812 /nfs/dbraw/zinc/63/48/12/599634812.db2.gz VHRTYHNLNZBDKT-UHFFFAOYSA-N -1 3 362.315 3.150 20 0 FGADHM Cc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c(C)n1 ZINC000822226494 599634813 /nfs/dbraw/zinc/63/48/13/599634813.db2.gz VHRTYHNLNZBDKT-UHFFFAOYSA-N -1 3 362.315 3.150 20 0 FGADHM c1ccc(C2(NCc3nnc(-c4ccc(-c5nnn[n-]5)cc4)o3)CCC2)cc1 ZINC000823772296 599636018 /nfs/dbraw/zinc/63/60/18/599636018.db2.gz IUZLXNUTHWHNPF-UHFFFAOYSA-N -1 3 373.420 3.086 20 0 FGADHM c1ccc(C2(NCc3nnc(-c4ccc(-c5nn[n-]n5)cc4)o3)CCC2)cc1 ZINC000823772296 599636019 /nfs/dbraw/zinc/63/60/19/599636019.db2.gz IUZLXNUTHWHNPF-UHFFFAOYSA-N -1 3 373.420 3.086 20 0 FGADHM CC(C)C[C@@H]1CCN(C(=O)[C@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)C1 ZINC000820067168 599652659 /nfs/dbraw/zinc/65/26/59/599652659.db2.gz FIECVPRFZMWLIC-MAUKXSAKSA-N -1 3 371.485 3.165 20 0 FGADHM CC(C)C[C@@H]1CCN(C(=O)[C@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)C1 ZINC000820067168 599652660 /nfs/dbraw/zinc/65/26/60/599652660.db2.gz FIECVPRFZMWLIC-MAUKXSAKSA-N -1 3 371.485 3.165 20 0 FGADHM CC(C)C[C@H](C)CC(=O)OCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000820056148 599659810 /nfs/dbraw/zinc/65/98/10/599659810.db2.gz NBBUBPXNMWTGFE-LBPRGKRZSA-N -1 3 370.413 3.032 20 0 FGADHM CC(C)C[C@H](C)CC(=O)OCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000820056148 599659811 /nfs/dbraw/zinc/65/98/11/599659811.db2.gz NBBUBPXNMWTGFE-LBPRGKRZSA-N -1 3 370.413 3.032 20 0 FGADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)OCc1cc(Cl)ccc1Cl ZINC000823078628 599659856 /nfs/dbraw/zinc/65/98/56/599659856.db2.gz PUYUBUHKGHOQDG-UHFFFAOYSA-N -1 3 363.204 3.459 20 0 FGADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)OCc1cc(Cl)ccc1Cl ZINC000823078628 599659857 /nfs/dbraw/zinc/65/98/57/599659857.db2.gz PUYUBUHKGHOQDG-UHFFFAOYSA-N -1 3 363.204 3.459 20 0 FGADHM O=C(OCCOc1cccc(-c2nnn[n-]2)c1)[C@H]1C[C@H]1C1CCCCC1 ZINC000823410492 599665593 /nfs/dbraw/zinc/66/55/93/599665593.db2.gz XQGSIPYINGUEBN-IRXDYDNUSA-N -1 3 356.426 3.005 20 0 FGADHM O=C(OCCOc1cccc(-c2nn[n-]n2)c1)[C@H]1C[C@H]1C1CCCCC1 ZINC000823410492 599665594 /nfs/dbraw/zinc/66/55/94/599665594.db2.gz XQGSIPYINGUEBN-IRXDYDNUSA-N -1 3 356.426 3.005 20 0 FGADHM C[C@H](NC(=O)N[C@@H](c1cccs1)C1CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820360004 599667232 /nfs/dbraw/zinc/66/72/32/599667232.db2.gz WPDXOZJUNMNCCD-MEDUHNTESA-N -1 3 368.466 3.440 20 0 FGADHM C[C@H](NC(=O)N[C@@H](c1cccs1)C1CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820360004 599667233 /nfs/dbraw/zinc/66/72/33/599667233.db2.gz WPDXOZJUNMNCCD-MEDUHNTESA-N -1 3 368.466 3.440 20 0 FGADHM C[C@H](CCOc1ccccc1)C(=O)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000820249170 599672363 /nfs/dbraw/zinc/67/23/63/599672363.db2.gz SWLDFIDMQLYATG-CQSZACIVSA-N -1 3 352.394 3.015 20 0 FGADHM C[C@H](CCOc1ccccc1)C(=O)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000820249170 599672364 /nfs/dbraw/zinc/67/23/64/599672364.db2.gz SWLDFIDMQLYATG-CQSZACIVSA-N -1 3 352.394 3.015 20 0 FGADHM C[C@H](CCOc1ccccc1)C(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000820249602 599672380 /nfs/dbraw/zinc/67/23/80/599672380.db2.gz XJBWGFVJYYJPPO-CYBMUJFWSA-N -1 3 370.384 3.154 20 0 FGADHM C[C@H](CCOc1ccccc1)C(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000820249602 599672381 /nfs/dbraw/zinc/67/23/81/599672381.db2.gz XJBWGFVJYYJPPO-CYBMUJFWSA-N -1 3 370.384 3.154 20 0 FGADHM CC[C@@H](C)C[C@@H](C)NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000820870572 599678375 /nfs/dbraw/zinc/67/83/75/599678375.db2.gz VJVRIATXWMLFIE-ZIAGYGMSSA-N -1 3 356.474 3.365 20 0 FGADHM CC[C@@H](C)C[C@@H](C)NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000820870572 599678376 /nfs/dbraw/zinc/67/83/76/599678376.db2.gz VJVRIATXWMLFIE-ZIAGYGMSSA-N -1 3 356.474 3.365 20 0 FGADHM CCSCC[C@@H](C)NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000821455389 599680273 /nfs/dbraw/zinc/68/02/73/599680273.db2.gz JYTMGNMBHRFKER-CYBMUJFWSA-N -1 3 374.514 3.072 20 0 FGADHM CCSCC[C@@H](C)NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000821455389 599680274 /nfs/dbraw/zinc/68/02/74/599680274.db2.gz JYTMGNMBHRFKER-CYBMUJFWSA-N -1 3 374.514 3.072 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCC(C1CC1)C1CC1 ZINC000821104980 599680276 /nfs/dbraw/zinc/68/02/76/599680276.db2.gz UHAZNZTZQUHXAV-UHFFFAOYSA-N -1 3 368.485 3.225 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCC(C1CC1)C1CC1 ZINC000821104980 599680277 /nfs/dbraw/zinc/68/02/77/599680277.db2.gz UHAZNZTZQUHXAV-UHFFFAOYSA-N -1 3 368.485 3.225 20 0 FGADHM CC(C)[C@H]1CCCN(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000820348931 599681985 /nfs/dbraw/zinc/68/19/85/599681985.db2.gz GVTGSMMQNACCDW-GJZGRUSLSA-N -1 3 356.474 3.395 20 0 FGADHM CC(C)[C@H]1CCCN(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000820348931 599681986 /nfs/dbraw/zinc/68/19/86/599681986.db2.gz GVTGSMMQNACCDW-GJZGRUSLSA-N -1 3 356.474 3.395 20 0 FGADHM COc1ccc(C2CCN(c3ccc(-c4nn[n-]n4)cc3F)CC2)cc1 ZINC000821786572 599685697 /nfs/dbraw/zinc/68/56/97/599685697.db2.gz FQCREZKXEFUOKK-UHFFFAOYSA-N -1 3 353.401 3.398 20 0 FGADHM CO[C@]1(C)C[C@H](Nc2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)C1(C)C ZINC000821678005 599688352 /nfs/dbraw/zinc/68/83/52/599688352.db2.gz IAFYHLWLBFSQQM-SCLBCKFNSA-N -1 3 374.395 3.309 20 0 FGADHM CO[C@]1(C)C[C@H](Nc2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)C1(C)C ZINC000821678005 599688353 /nfs/dbraw/zinc/68/83/53/599688353.db2.gz IAFYHLWLBFSQQM-SCLBCKFNSA-N -1 3 374.395 3.309 20 0 FGADHM CC(C)CO[C@H](C)c1noc(CSc2ccccc2-c2nnn[n-]2)n1 ZINC000820097460 599689560 /nfs/dbraw/zinc/68/95/60/599689560.db2.gz OZCXTLUEMVNRTG-LLVKDONJSA-N -1 3 360.443 3.276 20 0 FGADHM CC(C)CO[C@H](C)c1noc(CSc2ccccc2-c2nn[n-]n2)n1 ZINC000820097460 599689561 /nfs/dbraw/zinc/68/95/61/599689561.db2.gz OZCXTLUEMVNRTG-LLVKDONJSA-N -1 3 360.443 3.276 20 0 FGADHM CN(C)C[C@@H](NC(=O)Nc1ccc(F)c(NC(=O)[O-])c1)c1ccccc1 ZINC000737360817 599716795 /nfs/dbraw/zinc/71/67/95/599716795.db2.gz ONFQSYLIVNFKGH-MRXNPFEDSA-N -1 3 360.389 3.340 20 0 FGADHM Cn1ccc2c1cccc2NC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826363631 607393694 /nfs/dbraw/zinc/39/36/94/607393694.db2.gz VQGSGESONAKPQT-UHFFFAOYSA-N -1 3 373.420 3.169 20 0 FGADHM Cn1ccc2c1cccc2NC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826363631 607393696 /nfs/dbraw/zinc/39/36/96/607393696.db2.gz VQGSGESONAKPQT-UHFFFAOYSA-N -1 3 373.420 3.169 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCc1cnc(-c2cccs2)o1 ZINC000826252639 607401749 /nfs/dbraw/zinc/40/17/49/607401749.db2.gz LYEXXUVYHIBQAP-UHFFFAOYSA-N -1 3 367.390 3.249 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCc1cnc(-c2cccs2)o1 ZINC000826252639 607401750 /nfs/dbraw/zinc/40/17/50/607401750.db2.gz LYEXXUVYHIBQAP-UHFFFAOYSA-N -1 3 367.390 3.249 20 0 FGADHM CCc1ccc2c(CN[C@@H](C(=O)[O-])c3ccc(OC)cc3)cc(=O)oc2c1 ZINC000737268347 599862341 /nfs/dbraw/zinc/86/23/41/599862341.db2.gz XXUYFIJYGHUUMD-HXUWFJFHSA-N -1 3 367.401 3.280 20 0 FGADHM COc1ccc([C@H](NCc2csc(Br)c2)C(=O)[O-])cc1 ZINC000737969008 599862789 /nfs/dbraw/zinc/86/27/89/599862789.db2.gz IDWFXLYMCRZEPN-ZDUSSCGKSA-N -1 3 356.241 3.435 20 0 FGADHM COc1ccc([C@@H](C)C(=O)OCc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000826188395 607403953 /nfs/dbraw/zinc/40/39/53/607403953.db2.gz VXQXNOUBXGLTQJ-CYBMUJFWSA-N -1 3 352.394 3.031 20 0 FGADHM COc1ccc([C@@H](C)C(=O)OCc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000826188395 607403955 /nfs/dbraw/zinc/40/39/55/607403955.db2.gz VXQXNOUBXGLTQJ-CYBMUJFWSA-N -1 3 352.394 3.031 20 0 FGADHM COc1ccc([C@H](C)C(=O)OCc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000826188396 607403989 /nfs/dbraw/zinc/40/39/89/607403989.db2.gz VXQXNOUBXGLTQJ-ZDUSSCGKSA-N -1 3 352.394 3.031 20 0 FGADHM COc1ccc([C@H](C)C(=O)OCc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000826188396 607403991 /nfs/dbraw/zinc/40/39/91/607403991.db2.gz VXQXNOUBXGLTQJ-ZDUSSCGKSA-N -1 3 352.394 3.031 20 0 FGADHM CC(C)Oc1ccc(NC(=O)c2cccc3ncccc32)cc1-c1nnn[n-]1 ZINC000820174573 607407124 /nfs/dbraw/zinc/40/71/24/607407124.db2.gz SETAHDPSSWXGMG-UHFFFAOYSA-N -1 3 374.404 3.454 20 0 FGADHM CC(C)Oc1ccc(NC(=O)c2cccc3ncccc32)cc1-c1nn[n-]n1 ZINC000820174573 607407126 /nfs/dbraw/zinc/40/71/26/607407126.db2.gz SETAHDPSSWXGMG-UHFFFAOYSA-N -1 3 374.404 3.454 20 0 FGADHM COc1ccccc1C(C)=CC(=O)OCc1ccc(-c2nnn[n-]2)cc1C ZINC000826218574 607407307 /nfs/dbraw/zinc/40/73/07/607407307.db2.gz GRVNDAXORIWSSS-KAMYIIQDSA-N -1 3 364.405 3.330 20 0 FGADHM COc1ccccc1C(C)=CC(=O)OCc1ccc(-c2nn[n-]n2)cc1C ZINC000826218574 607407309 /nfs/dbraw/zinc/40/73/09/607407309.db2.gz GRVNDAXORIWSSS-KAMYIIQDSA-N -1 3 364.405 3.330 20 0 FGADHM CC[C@@H](NC(=O)CN(C[C@@H](C)C(=O)[O-])C1CC1)c1ccc(Cl)cc1 ZINC000736910855 599948810 /nfs/dbraw/zinc/94/88/10/599948810.db2.gz OOPHXAZAALSXCN-MLGOLLRUSA-N -1 3 352.862 3.092 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)c1cnc(-c2ccco2)s1 ZINC000826254544 607410212 /nfs/dbraw/zinc/41/02/12/607410212.db2.gz QDKPIDXRHXQLGP-UHFFFAOYSA-N -1 3 367.390 3.249 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)c1cnc(-c2ccco2)s1 ZINC000826254544 607410214 /nfs/dbraw/zinc/41/02/14/607410214.db2.gz QDKPIDXRHXQLGP-UHFFFAOYSA-N -1 3 367.390 3.249 20 0 FGADHM COc1ccc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2C)c(Cl)c1 ZINC000826187894 607410718 /nfs/dbraw/zinc/41/07/18/607410718.db2.gz HTMKNCHGSMJGGB-UHFFFAOYSA-N -1 3 358.785 3.194 20 0 FGADHM COc1ccc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2C)c(Cl)c1 ZINC000826187894 607410719 /nfs/dbraw/zinc/41/07/19/607410719.db2.gz HTMKNCHGSMJGGB-UHFFFAOYSA-N -1 3 358.785 3.194 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)CCSc1ccccc1 ZINC000826253172 607411012 /nfs/dbraw/zinc/41/10/12/607411012.db2.gz HJKWZTDIJKSUPK-UHFFFAOYSA-N -1 3 354.435 3.401 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)CCSc1ccccc1 ZINC000826253172 607411014 /nfs/dbraw/zinc/41/10/14/607411014.db2.gz HJKWZTDIJKSUPK-UHFFFAOYSA-N -1 3 354.435 3.401 20 0 FGADHM COc1ccc([C@H](NCC(=O)Nc2ccc(C(=O)[O-])cc2)C(C)C)cc1 ZINC000737975653 600048546 /nfs/dbraw/zinc/04/85/46/600048546.db2.gz ZNMZVUSBKZKWLA-LJQANCHMSA-N -1 3 356.422 3.319 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)c1cccc(F)c1Cl ZINC000821749558 607418898 /nfs/dbraw/zinc/41/88/98/607418898.db2.gz RRRDOWSEMXYJQH-UHFFFAOYSA-N -1 3 362.748 3.025 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)c1cccc(F)c1Cl ZINC000821749558 607418900 /nfs/dbraw/zinc/41/89/00/607418900.db2.gz RRRDOWSEMXYJQH-UHFFFAOYSA-N -1 3 362.748 3.025 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)c1cccc(Cl)c1F ZINC000821749354 607420355 /nfs/dbraw/zinc/42/03/55/607420355.db2.gz IESFGYSODSCKOI-UHFFFAOYSA-N -1 3 362.748 3.025 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)c1cccc(Cl)c1F ZINC000821749354 607420356 /nfs/dbraw/zinc/42/03/56/607420356.db2.gz IESFGYSODSCKOI-UHFFFAOYSA-N -1 3 362.748 3.025 20 0 FGADHM Cc1nc(C(C)C)sc1C(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826323478 607422160 /nfs/dbraw/zinc/42/21/60/607422160.db2.gz FVIAYUOJEOVPLS-UHFFFAOYSA-N -1 3 368.466 3.174 20 0 FGADHM Cc1nc(C(C)C)sc1C(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826323478 607422161 /nfs/dbraw/zinc/42/21/61/607422161.db2.gz FVIAYUOJEOVPLS-UHFFFAOYSA-N -1 3 368.466 3.174 20 0 FGADHM Cc1ccc2cc(C(=O)NC3(c4cccc(-c5nnn[n-]5)c4)CC3)ccc2n1 ZINC000826295234 607424221 /nfs/dbraw/zinc/42/42/21/607424221.db2.gz XVJOQWQHQSDXSK-UHFFFAOYSA-N -1 3 370.416 3.142 20 0 FGADHM Cc1ccc2cc(C(=O)NC3(c4cccc(-c5nn[n-]n5)c4)CC3)ccc2n1 ZINC000826295234 607424223 /nfs/dbraw/zinc/42/42/23/607424223.db2.gz XVJOQWQHQSDXSK-UHFFFAOYSA-N -1 3 370.416 3.142 20 0 FGADHM C[C@@H](OC1CCCCCC1)C(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000824731477 607425444 /nfs/dbraw/zinc/42/54/44/607425444.db2.gz VZRYSERVRDMPNI-CQSZACIVSA-N -1 3 369.469 3.100 20 0 FGADHM C[C@@H](OC1CCCCCC1)C(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000824731477 607425446 /nfs/dbraw/zinc/42/54/46/607425446.db2.gz VZRYSERVRDMPNI-CQSZACIVSA-N -1 3 369.469 3.100 20 0 FGADHM CCC[C@@](C)(NCc1nc2ccccc2c(C)c1C(=O)OCC)C(=O)[O-] ZINC000736959255 600156250 /nfs/dbraw/zinc/15/62/50/600156250.db2.gz OLYJZCGWUHGIRY-HXUWFJFHSA-N -1 3 358.438 3.453 20 0 FGADHM CC(C)Oc1ccc(NC(=O)N(C)Cc2ccsc2)cc1-c1nnn[n-]1 ZINC000820166663 607426059 /nfs/dbraw/zinc/42/60/59/607426059.db2.gz ZEBZDLQMLSGRSW-UHFFFAOYSA-N -1 3 372.454 3.379 20 0 FGADHM CC(C)Oc1ccc(NC(=O)N(C)Cc2ccsc2)cc1-c1nn[n-]n1 ZINC000820166663 607426061 /nfs/dbraw/zinc/42/60/61/607426061.db2.gz ZEBZDLQMLSGRSW-UHFFFAOYSA-N -1 3 372.454 3.379 20 0 FGADHM O=C(NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1ccc(F)c(Cl)c1 ZINC000826427891 607426290 /nfs/dbraw/zinc/42/62/90/607426290.db2.gz GCBDQUFSVZDVNQ-UHFFFAOYSA-N -1 3 357.776 3.078 20 0 FGADHM O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1ccc(F)c(Cl)c1 ZINC000826427891 607426291 /nfs/dbraw/zinc/42/62/91/607426291.db2.gz GCBDQUFSVZDVNQ-UHFFFAOYSA-N -1 3 357.776 3.078 20 0 FGADHM Cc1oc(CN(C)C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1C(=O)[O-] ZINC000738967169 600218744 /nfs/dbraw/zinc/21/87/44/600218744.db2.gz SPORTCODBYJNCH-AWEZNQCLSA-N -1 3 366.458 3.365 20 0 FGADHM CC(C)Oc1ccc(NC(=O)NCc2ccccc2F)cc1-c1nnn[n-]1 ZINC000820170341 607429465 /nfs/dbraw/zinc/42/94/65/607429465.db2.gz XOTNXJVVVQBKBL-UHFFFAOYSA-N -1 3 370.388 3.115 20 0 FGADHM CC(C)Oc1ccc(NC(=O)NCc2ccccc2F)cc1-c1nn[n-]n1 ZINC000820170341 607429466 /nfs/dbraw/zinc/42/94/66/607429466.db2.gz XOTNXJVVVQBKBL-UHFFFAOYSA-N -1 3 370.388 3.115 20 0 FGADHM CC(C)N(CCC(=O)[O-])CC(=O)N(Cc1ccccc1)c1ccccc1 ZINC000736466305 600222210 /nfs/dbraw/zinc/22/22/10/600222210.db2.gz VKOXLNKAECBESA-UHFFFAOYSA-N -1 3 354.450 3.405 20 0 FGADHM Cc1ccsc1[C@@H]1C[C@H]1C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000826316723 607432583 /nfs/dbraw/zinc/43/25/83/607432583.db2.gz WTYKNAUOAXASSK-VXGBXAGGSA-N -1 3 357.414 3.142 20 0 FGADHM Cc1ccsc1[C@@H]1C[C@H]1C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000826316723 607432585 /nfs/dbraw/zinc/43/25/85/607432585.db2.gz WTYKNAUOAXASSK-VXGBXAGGSA-N -1 3 357.414 3.142 20 0 FGADHM Cc1nc(CC(C)C)sc1C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826325125 607436340 /nfs/dbraw/zinc/43/63/40/607436340.db2.gz OAGXOVLUEPRKGQ-UHFFFAOYSA-N -1 3 356.455 3.107 20 0 FGADHM Cc1nc(CC(C)C)sc1C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826325125 607436342 /nfs/dbraw/zinc/43/63/42/607436342.db2.gz OAGXOVLUEPRKGQ-UHFFFAOYSA-N -1 3 356.455 3.107 20 0 FGADHM O=C([O-])CCN(CCOc1ccc(F)cc1)Cc1ccc(F)c(F)c1 ZINC000652474563 600327230 /nfs/dbraw/zinc/32/72/30/600327230.db2.gz LJTPAKBWFYKCSZ-UHFFFAOYSA-N -1 3 353.340 3.460 20 0 FGADHM CSc1ccc(O[C@@H](C)C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826230597 607440910 /nfs/dbraw/zinc/44/09/10/607440910.db2.gz ASFHXOPCFYJEQK-LBPRGKRZSA-N -1 3 369.450 3.019 20 0 FGADHM CSc1ccc(O[C@@H](C)C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826230597 607440911 /nfs/dbraw/zinc/44/09/11/607440911.db2.gz ASFHXOPCFYJEQK-LBPRGKRZSA-N -1 3 369.450 3.019 20 0 FGADHM C[C@H](CNC(=O)Nc1ccc(C(=O)[O-])cc1F)N(C)Cc1ccccc1 ZINC000390589283 600402022 /nfs/dbraw/zinc/40/20/22/600402022.db2.gz YWLVWVSCBINOTM-CYBMUJFWSA-N -1 3 359.401 3.166 20 0 FGADHM O=C([O-])[C@@H](NCc1cccc(NC(=O)c2ccccn2)c1)c1ccccc1 ZINC000738508812 600426900 /nfs/dbraw/zinc/42/69/00/600426900.db2.gz AIEDDPOFRABIBJ-IBGZPJMESA-N -1 3 361.401 3.249 20 0 FGADHM CC(C)c1ccc(C(=O)O[C@@H](C)COc2cccc(-c3nnn[n-]3)c2)cn1 ZINC000820294568 607444689 /nfs/dbraw/zinc/44/46/89/607444689.db2.gz UQETXYXIZPRBNV-ZDUSSCGKSA-N -1 3 367.409 3.009 20 0 FGADHM CC(C)c1ccc(C(=O)O[C@@H](C)COc2cccc(-c3nn[n-]n3)c2)cn1 ZINC000820294568 607444690 /nfs/dbraw/zinc/44/46/90/607444690.db2.gz UQETXYXIZPRBNV-ZDUSSCGKSA-N -1 3 367.409 3.009 20 0 FGADHM O=C(COc1cc(Cl)ccc1Cl)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000123589840 607453778 /nfs/dbraw/zinc/45/37/78/607453778.db2.gz IPGABLZWIGYITL-UHFFFAOYSA-N -1 3 364.192 3.191 20 0 FGADHM O=C(COc1cc(Cl)ccc1Cl)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000123589840 607453781 /nfs/dbraw/zinc/45/37/81/607453781.db2.gz IPGABLZWIGYITL-UHFFFAOYSA-N -1 3 364.192 3.191 20 0 FGADHM Cc1ccccc1C[C@@H]1CCCN1CC(=O)N(C)c1ccccc1C(=O)[O-] ZINC000738768529 600538650 /nfs/dbraw/zinc/53/86/50/600538650.db2.gz NWNPXWIDFWBMKH-SFHVURJKSA-N -1 3 366.461 3.363 20 0 FGADHM CCN(C(=O)CCC(C)(C)C(C)=O)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821147783 607452597 /nfs/dbraw/zinc/45/25/97/607452597.db2.gz JEOIMHPBGKQOGF-ZDUSSCGKSA-N -1 3 357.458 3.172 20 0 FGADHM CCN(C(=O)CCC(C)(C)C(C)=O)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821147783 607452599 /nfs/dbraw/zinc/45/25/99/607452599.db2.gz JEOIMHPBGKQOGF-ZDUSSCGKSA-N -1 3 357.458 3.172 20 0 FGADHM C[C@H]1Cc2ccccc2[C@H]1NC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000825012182 607456969 /nfs/dbraw/zinc/45/69/69/607456969.db2.gz DVJIGKVVPPDWLJ-UGSOOPFHSA-N -1 3 374.448 3.089 20 0 FGADHM C[C@H]1Cc2ccccc2[C@H]1NC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000825012182 607456971 /nfs/dbraw/zinc/45/69/71/607456971.db2.gz DVJIGKVVPPDWLJ-UGSOOPFHSA-N -1 3 374.448 3.089 20 0 FGADHM CC1CCC(N2CCN(C(=O)CCc3ccc(C(=O)[O-])cc3)CC2)CC1 ZINC000736769716 600610292 /nfs/dbraw/zinc/61/02/92/600610292.db2.gz XDJPBLLRYPPYCA-UHFFFAOYSA-N -1 3 358.482 3.040 20 0 FGADHM CCCN(Cn1nc(C(=O)[O-])c(Cl)c1C)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000737021564 600706166 /nfs/dbraw/zinc/70/61/66/600706166.db2.gz WXYQSMYRGUKGML-NILFDRSVSA-N -1 3 355.866 3.026 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1CN1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000826183625 607464525 /nfs/dbraw/zinc/46/45/25/607464525.db2.gz VKQXLJZNACSUDJ-UHFFFAOYSA-N -1 3 374.448 3.223 20 0 FGADHM O=C(CCC1CCCCC1)Nc1ncc2cc(-c3nnn[n-]3)ccc2n1 ZINC000826405929 607468112 /nfs/dbraw/zinc/46/81/12/607468112.db2.gz ZXWVOQRXSDHUDK-UHFFFAOYSA-N -1 3 351.414 3.109 20 0 FGADHM O=C(CCC1CCCCC1)Nc1ncc2cc(-c3nn[n-]n3)ccc2n1 ZINC000826405929 607468113 /nfs/dbraw/zinc/46/81/13/607468113.db2.gz ZXWVOQRXSDHUDK-UHFFFAOYSA-N -1 3 351.414 3.109 20 0 FGADHM CCC[C@](C)(NCc1csc(-c2cccc(C(=O)OC)c2)n1)C(=O)[O-] ZINC000829201811 600831718 /nfs/dbraw/zinc/83/17/18/600831718.db2.gz FSNHKAXKWZYFHH-SFHVURJKSA-N -1 3 362.451 3.330 20 0 FGADHM C[C@@H]1C[C@@H](c2ccccc2F)N(C[C@@H](O)COc2ccc(C(=O)[O-])cc2)C1 ZINC000828191997 600840625 /nfs/dbraw/zinc/84/06/25/600840625.db2.gz IUKCADWFBVSSCV-KKVAFCGZSA-N -1 3 373.424 3.347 20 0 FGADHM O=C([O-])CN(Cc1ccc(Cl)cc1)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000739797403 600950596 /nfs/dbraw/zinc/95/05/96/600950596.db2.gz WSWOZSCVHZXVAS-QGZVFWFLSA-N -1 3 374.824 3.252 20 0 FGADHM C[C@@](NCc1coc(-c2ccc(Br)cc2)n1)(C(=O)[O-])C1CC1 ZINC000827742019 601034468 /nfs/dbraw/zinc/03/44/68/601034468.db2.gz ZRVSEJCJLHPOKE-INIZCTEOSA-N -1 3 365.227 3.447 20 0 FGADHM O=C([O-])[C@H](NCc1ccc(C(=O)N2CCCCC2)cc1)c1ccccc1 ZINC000833165132 601137299 /nfs/dbraw/zinc/13/72/99/601137299.db2.gz FYFIWBLAWKARME-LJQANCHMSA-N -1 3 352.434 3.228 20 0 FGADHM c1ccc2c(c1)CN(Cc1ccnc(-c3nnn[n-]3)c1)Cc1ccccc1-2 ZINC000826523184 607494370 /nfs/dbraw/zinc/49/43/70/607494370.db2.gz DGDIDHVLHDRTNP-UHFFFAOYSA-N -1 3 354.417 3.445 20 0 FGADHM c1ccc2c(c1)CN(Cc1ccnc(-c3nn[n-]n3)c1)Cc1ccccc1-2 ZINC000826523184 607494372 /nfs/dbraw/zinc/49/43/72/607494372.db2.gz DGDIDHVLHDRTNP-UHFFFAOYSA-N -1 3 354.417 3.445 20 0 FGADHM C[C@H](C(=O)[O-])[C@H](NCC(=O)NCc1ccc(Cl)cc1)c1ccccc1 ZINC000826055138 601201953 /nfs/dbraw/zinc/20/19/53/601201953.db2.gz WDOYLBBIGUNOBU-UGSOOPFHSA-N -1 3 360.841 3.008 20 0 FGADHM C[C@@H](CSCc1ccccc1)C(=O)OCc1ccccc1-c1nnn[n-]1 ZINC000820292811 607495662 /nfs/dbraw/zinc/49/56/62/607495662.db2.gz HLRRXYPUEXAYJA-AWEZNQCLSA-N -1 3 368.462 3.479 20 0 FGADHM C[C@@H](CSCc1ccccc1)C(=O)OCc1ccccc1-c1nn[n-]n1 ZINC000820292811 607495664 /nfs/dbraw/zinc/49/56/64/607495664.db2.gz HLRRXYPUEXAYJA-AWEZNQCLSA-N -1 3 368.462 3.479 20 0 FGADHM Cc1ccc2cc(C(=O)OCc3cc(-c4nnn[n-]4)ccc3F)ccc2n1 ZINC000822280649 607502370 /nfs/dbraw/zinc/50/23/70/607502370.db2.gz UZRJQRWKAPMHJV-UHFFFAOYSA-N -1 3 363.352 3.219 20 0 FGADHM Cc1ccc2cc(C(=O)OCc3cc(-c4nn[n-]n4)ccc3F)ccc2n1 ZINC000822280649 607502371 /nfs/dbraw/zinc/50/23/71/607502371.db2.gz UZRJQRWKAPMHJV-UHFFFAOYSA-N -1 3 363.352 3.219 20 0 FGADHM CC(C)CN(CCN(C)C)C(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC000826875669 601404980 /nfs/dbraw/zinc/40/49/80/601404980.db2.gz HIADPFGGCZVLBP-UHFFFAOYSA-N -1 3 365.474 3.224 20 0 FGADHM O=C([O-])[C@H]1c2ccccc2CCN1C(=O)c1cccc(CN2CCCC2)c1 ZINC000663148583 601481057 /nfs/dbraw/zinc/48/10/57/601481057.db2.gz SIEPJTRMRRIFRC-HXUWFJFHSA-N -1 3 364.445 3.107 20 0 FGADHM COC[C@](C)(CC(=O)[O-])NCc1cc(Br)ccc1Cl ZINC000831577339 601490291 /nfs/dbraw/zinc/49/02/91/601490291.db2.gz FFRCAUCVVAOCBN-ZDUSSCGKSA-N -1 3 350.640 3.072 20 0 FGADHM Cc1sc(C(=O)[O-])cc1CN1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC000833032965 601625989 /nfs/dbraw/zinc/62/59/89/601625989.db2.gz RANSEIZRYBIGAK-LBPRGKRZSA-N -1 3 352.500 3.127 20 0 FGADHM C[C@@H](C(=O)[O-])[C@@H](NCC(=O)Nc1ccc2c(c1)CCC2)c1ccccc1 ZINC000826054083 601652091 /nfs/dbraw/zinc/65/20/91/601652091.db2.gz KQIXZODVZSTHSQ-JLTOFOAXSA-N -1 3 352.434 3.165 20 0 FGADHM Cc1ccc(NC(=O)N(CCN(C)C)Cc2cccs2)cc1C(=O)[O-] ZINC000832945257 601731645 /nfs/dbraw/zinc/73/16/45/601731645.db2.gz SYUZRMIFSJPOMO-UHFFFAOYSA-N -1 3 361.467 3.350 20 0 FGADHM CN(Cc1ccsc1C(=O)[O-])C[C@H](c1cccs1)N1CCOCC1 ZINC000830864726 601824382 /nfs/dbraw/zinc/82/43/82/601824382.db2.gz AIRGCZNGOFPQPB-CQSZACIVSA-N -1 3 366.508 3.013 20 0 FGADHM Cc1cc(F)ccc1[C@H](O)CN(C)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000832890546 601906944 /nfs/dbraw/zinc/90/69/44/601906944.db2.gz WMTMSZDDOFDQEA-NVXWUHKLSA-N -1 3 371.330 3.343 20 0 FGADHM O=C([O-])c1ccc(CN2CCC(C(=O)Nc3ccc(O)cc3)CC2)s1 ZINC000833315104 601949062 /nfs/dbraw/zinc/94/90/62/601949062.db2.gz QXTWGRCHLYKJCK-UHFFFAOYSA-N -1 3 360.435 3.003 20 0 FGADHM O=C([O-])c1ccc(CN2CCC(C(=O)Nc3cccc(F)c3)CC2)s1 ZINC000833315124 601949067 /nfs/dbraw/zinc/94/90/67/601949067.db2.gz RUUZYSDDPGISMV-UHFFFAOYSA-N -1 3 362.426 3.436 20 0 FGADHM CN(C(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1)[C@@H]1CCN(C2CC2)C1 ZINC000830523599 602010784 /nfs/dbraw/zinc/01/07/84/602010784.db2.gz NPDUTVFWBFAKRO-CQSZACIVSA-N -1 3 371.359 3.104 20 0 FGADHM COc1ccc(CSc2nnc(-c3ccccc3)o2)cc1-c1nnn[n-]1 ZINC000826207779 607539177 /nfs/dbraw/zinc/53/91/77/607539177.db2.gz CVMNOVAEZUJVFY-UHFFFAOYSA-N -1 3 366.406 3.218 20 0 FGADHM COc1ccc(CSc2nnc(-c3ccccc3)o2)cc1-c1nn[n-]n1 ZINC000826207779 607539179 /nfs/dbraw/zinc/53/91/79/607539179.db2.gz CVMNOVAEZUJVFY-UHFFFAOYSA-N -1 3 366.406 3.218 20 0 FGADHM C[C@@H](CCC(=O)OCC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000824400132 607553090 /nfs/dbraw/zinc/55/30/90/607553090.db2.gz ANSTZGKIWJAJCM-AWEZNQCLSA-N -1 3 364.405 3.177 20 0 FGADHM C[C@@H](CCC(=O)OCC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000824400132 607553092 /nfs/dbraw/zinc/55/30/92/607553092.db2.gz ANSTZGKIWJAJCM-AWEZNQCLSA-N -1 3 364.405 3.177 20 0 FGADHM C[C@H](CCC(=O)OCC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000824402949 607553375 /nfs/dbraw/zinc/55/33/75/607553375.db2.gz ZEOFDKIVPHGHGO-CQSZACIVSA-N -1 3 364.405 3.177 20 0 FGADHM C[C@H](CCC(=O)OCC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000824402949 607553377 /nfs/dbraw/zinc/55/33/77/607553377.db2.gz ZEOFDKIVPHGHGO-CQSZACIVSA-N -1 3 364.405 3.177 20 0 FGADHM C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(Cc2ccc(C(=O)[O-])o2)C1 ZINC000827688006 602245235 /nfs/dbraw/zinc/24/52/35/602245235.db2.gz PXNWWIUSQWQWSF-QWHCGFSZSA-N -1 3 352.431 3.103 20 0 FGADHM CCC[C@@H](O)CC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000825248029 607556378 /nfs/dbraw/zinc/55/63/78/607556378.db2.gz LJOUXDWVLQEZKL-CQSZACIVSA-N -1 3 367.409 3.149 20 0 FGADHM CCC[C@@H](O)CC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000825248029 607556380 /nfs/dbraw/zinc/55/63/80/607556380.db2.gz LJOUXDWVLQEZKL-CQSZACIVSA-N -1 3 367.409 3.149 20 0 FGADHM CC(C)[C@@H](O)CC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000824207402 607557520 /nfs/dbraw/zinc/55/75/20/607557520.db2.gz VTHZJZJTCPCSCI-KRWDZBQOSA-N -1 3 367.409 3.005 20 0 FGADHM CC(C)[C@@H](O)CC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000824207402 607557522 /nfs/dbraw/zinc/55/75/22/607557522.db2.gz VTHZJZJTCPCSCI-KRWDZBQOSA-N -1 3 367.409 3.005 20 0 FGADHM Cc1cc2oc(=O)cc(CN3CCC(CN(C)C(=O)[O-])CC3)c2cc1C ZINC000740095062 602387096 /nfs/dbraw/zinc/38/70/96/602387096.db2.gz LJQITVCNWTWSFM-UHFFFAOYSA-N -1 3 358.438 3.232 20 0 FGADHM C[C@H](NC(=O)[O-])C1CCN(Cc2cccc(C(=O)N3CCCCC3)c2)CC1 ZINC000739014826 602444178 /nfs/dbraw/zinc/44/41/78/602444178.db2.gz KQDNVUZZALVOJV-INIZCTEOSA-N -1 3 373.497 3.181 20 0 FGADHM C[C@@H](NC(=O)[O-])C1CCN(Cc2cc(=O)oc3cc4c(cc23)CCC4)CC1 ZINC000739012858 602449269 /nfs/dbraw/zinc/44/92/69/602449269.db2.gz ALOZNMHLLXYGKV-CYBMUJFWSA-N -1 3 370.449 3.150 20 0 FGADHM C[C@@H](CNC(=O)c1ccc(F)c(NC(=O)[O-])c1)N(C)Cc1ccccc1 ZINC000738939352 602462924 /nfs/dbraw/zinc/46/29/24/602462924.db2.gz KMLBWKNWRVKUIS-ZDUSSCGKSA-N -1 3 359.401 3.166 20 0 FGADHM O=C([O-])Nc1cc(C(=O)N2CCN(CC3CCCCC3)CC2)ccc1F ZINC000740696115 602487441 /nfs/dbraw/zinc/48/74/41/602487441.db2.gz NXWUHSMJKMVRAU-UHFFFAOYSA-N -1 3 363.433 3.254 20 0 FGADHM O=C([O-])N1CCCc2cc(NC(=O)N3CCN(C4CCCC4)CC3)ccc21 ZINC000740465931 602606573 /nfs/dbraw/zinc/60/65/73/602606573.db2.gz SXSUROYKJBJJOC-UHFFFAOYSA-N -1 3 372.469 3.209 20 0 FGADHM COc1ccc(CNC(=O)c2csc3ccccc23)cc1-c1nnn[n-]1 ZINC000826202091 607583698 /nfs/dbraw/zinc/58/36/98/607583698.db2.gz NWBXPYIIPPVWPX-UHFFFAOYSA-N -1 3 365.418 3.020 20 0 FGADHM COc1ccc(CNC(=O)c2csc3ccccc23)cc1-c1nn[n-]n1 ZINC000826202091 607583699 /nfs/dbraw/zinc/58/36/99/607583699.db2.gz NWBXPYIIPPVWPX-UHFFFAOYSA-N -1 3 365.418 3.020 20 0 FGADHM CC(C)(CCC(=O)N[C@@H](CN1CCCCC1)c1ccccc1)NC(=O)[O-] ZINC000738741153 602831779 /nfs/dbraw/zinc/83/17/79/602831779.db2.gz CUKUNFJSVXHJNV-KRWDZBQOSA-N -1 3 361.486 3.156 20 0 FGADHM COc1ccc(CNC(=O)c2ccccc2C(C)(C)C)cc1-c1nnn[n-]1 ZINC000826201407 607592682 /nfs/dbraw/zinc/59/26/82/607592682.db2.gz OMMCGKHLUKNYON-UHFFFAOYSA-N -1 3 365.437 3.103 20 0 FGADHM COc1ccc(CNC(=O)c2ccccc2C(C)(C)C)cc1-c1nn[n-]n1 ZINC000826201407 607592685 /nfs/dbraw/zinc/59/26/85/607592685.db2.gz OMMCGKHLUKNYON-UHFFFAOYSA-N -1 3 365.437 3.103 20 0 FGADHM CCCc1ccc(NC(=O)NCc2ccc(OC)c(-c3nnn[n-]3)c2)cc1 ZINC000825348156 607617006 /nfs/dbraw/zinc/61/70/06/607617006.db2.gz DKQPQVORLWEPDW-UHFFFAOYSA-N -1 3 366.425 3.150 20 0 FGADHM CCCc1ccc(NC(=O)NCc2ccc(OC)c(-c3nn[n-]n3)c2)cc1 ZINC000825348156 607617007 /nfs/dbraw/zinc/61/70/07/607617007.db2.gz DKQPQVORLWEPDW-UHFFFAOYSA-N -1 3 366.425 3.150 20 0 FGADHM COC(=O)c1cc2cc(CN3CCC([C@@H](C)NC(=O)[O-])CC3)ccc2o1 ZINC000739781826 603342597 /nfs/dbraw/zinc/34/25/97/603342597.db2.gz WZELTIXQDRAGPG-GFCCVEGCSA-N -1 3 360.410 3.088 20 0 FGADHM Cc1ccc([C@@H](CNC(=O)c2ccc(C)c(NC(=O)[O-])c2)N(C)C)cc1 ZINC000830262370 603421344 /nfs/dbraw/zinc/42/13/44/603421344.db2.gz OWDHUNPJEKJKOV-GOSISDBHSA-N -1 3 355.438 3.426 20 0 FGADHM COc1ccc(Br)c(C=Cc2ccc(-c3nnn[n-]3)cn2)c1 ZINC000826187031 607645694 /nfs/dbraw/zinc/64/56/94/607645694.db2.gz WJVMKNDRGCIISR-DUXPYHPUSA-N -1 3 358.199 3.203 20 0 FGADHM COc1ccc(Br)c(C=Cc2ccc(-c3nn[n-]n3)cn2)c1 ZINC000826187031 607645695 /nfs/dbraw/zinc/64/56/95/607645695.db2.gz WJVMKNDRGCIISR-DUXPYHPUSA-N -1 3 358.199 3.203 20 0 FGADHM O=C(CSc1nc(-c2ccccc2)c[nH]1)c1cccc(-c2nnn[n-]2)c1 ZINC000826421236 607658614 /nfs/dbraw/zinc/65/86/14/607658614.db2.gz YEJFEJMMQRFNQJ-UHFFFAOYSA-N -1 3 362.418 3.232 20 0 FGADHM O=C(CSc1nc(-c2ccccc2)c[nH]1)c1cccc(-c2nn[n-]n2)c1 ZINC000826421236 607658616 /nfs/dbraw/zinc/65/86/16/607658616.db2.gz YEJFEJMMQRFNQJ-UHFFFAOYSA-N -1 3 362.418 3.232 20 0 FGADHM CN(C)CCN(C(=O)Nc1ccc2c(c1)CN(C(=O)[O-])CC2)C1CCCC1 ZINC000828023644 604087388 /nfs/dbraw/zinc/08/73/88/604087388.db2.gz FAUVMYNDJIVGJS-UHFFFAOYSA-N -1 3 374.485 3.061 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCC(OC2CCCCC2)CC1 ZINC000826245465 607676665 /nfs/dbraw/zinc/67/66/65/607676665.db2.gz YSLVOURZDCEXCD-UHFFFAOYSA-N -1 3 369.469 3.129 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCC(OC2CCCCC2)CC1 ZINC000826245465 607676667 /nfs/dbraw/zinc/67/66/67/607676667.db2.gz YSLVOURZDCEXCD-UHFFFAOYSA-N -1 3 369.469 3.129 20 0 FGADHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1N1CCC[C@H]([C@H]2CCOC2)C1 ZINC000826368154 607681844 /nfs/dbraw/zinc/68/18/44/607681844.db2.gz DTFMSNGJKSOPEC-STQMWFEESA-N -1 3 367.375 3.138 20 0 FGADHM FC(F)(F)c1ccc(N2CCC[C@H]([C@H]3CCOC3)C2)c(-c2nnn[n-]2)c1 ZINC000826368092 607681946 /nfs/dbraw/zinc/68/19/46/607681946.db2.gz BLTHVVRCBLPGOC-RYUDHWBXSA-N -1 3 367.375 3.138 20 0 FGADHM FC(F)(F)c1ccc(N2CCC[C@H]([C@H]3CCOC3)C2)c(-c2nn[n-]n2)c1 ZINC000826368092 607681948 /nfs/dbraw/zinc/68/19/48/607681948.db2.gz BLTHVVRCBLPGOC-RYUDHWBXSA-N -1 3 367.375 3.138 20 0 FGADHM CCc1cccc2c(CCNC(=O)c3ccc(-c4nnn[n-]4)cc3C)c[nH]c21 ZINC000825722895 607687023 /nfs/dbraw/zinc/68/70/23/607687023.db2.gz NKOHJGYELOLMPG-UHFFFAOYSA-N -1 3 374.448 3.191 20 0 FGADHM CCc1cccc2c(CCNC(=O)c3ccc(-c4nn[n-]n4)cc3C)c[nH]c21 ZINC000825722895 607687024 /nfs/dbraw/zinc/68/70/24/607687024.db2.gz NKOHJGYELOLMPG-UHFFFAOYSA-N -1 3 374.448 3.191 20 0 FGADHM O=C([O-])[C@@H](NCc1ccc2c(c1)COC2)c1ccc(Br)cc1 ZINC000833170535 604401526 /nfs/dbraw/zinc/40/15/26/604401526.db2.gz XHEKBSMVKNTRLC-INIZCTEOSA-N -1 3 362.223 3.395 20 0 FGADHM C[C@H](CC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1F ZINC000824385426 607692553 /nfs/dbraw/zinc/69/25/53/607692553.db2.gz SSZMIQJNGVGMIH-GFCCVEGCSA-N -1 3 371.391 3.297 20 0 FGADHM C[C@H](CC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1F ZINC000824385426 607692555 /nfs/dbraw/zinc/69/25/55/607692555.db2.gz SSZMIQJNGVGMIH-GFCCVEGCSA-N -1 3 371.391 3.297 20 0 FGADHM COc1ccc(-c2nc(CNC(C)(C)CC(=O)[O-])cs2)cc1OC ZINC000832129700 604441208 /nfs/dbraw/zinc/44/12/08/604441208.db2.gz KVCVJHBPVUCWMU-UHFFFAOYSA-N -1 3 350.440 3.170 20 0 FGADHM CN(Cc1cc2c(cc1Br)OCO2)C1(C(=O)[O-])CCCC1 ZINC000830806193 604455497 /nfs/dbraw/zinc/45/54/97/604455497.db2.gz HWNUMAKAGLIUHA-UHFFFAOYSA-N -1 3 356.216 3.007 20 0 FGADHM CCc1nc(C)c([C@@H](C)N(C)C(=O)c2ccc(-c3nnn[n-]3)cc2C)s1 ZINC000825744796 607694731 /nfs/dbraw/zinc/69/47/31/607694731.db2.gz FGCAQZIXFJZGLR-GFCCVEGCSA-N -1 3 370.482 3.336 20 0 FGADHM CCc1nc(C)c([C@@H](C)N(C)C(=O)c2ccc(-c3nn[n-]n3)cc2C)s1 ZINC000825744796 607694732 /nfs/dbraw/zinc/69/47/32/607694732.db2.gz FGCAQZIXFJZGLR-GFCCVEGCSA-N -1 3 370.482 3.336 20 0 FGADHM C[C@@H](Oc1ccc(CN2CCC([C@H](O)c3ccccc3)CC2)cc1)C(=O)[O-] ZINC000833539579 604525642 /nfs/dbraw/zinc/52/56/42/604525642.db2.gz HQCDIORJARIWBC-IIBYNOLFSA-N -1 3 369.461 3.484 20 0 FGADHM C[C@H]1CC(Nc2ccc(N3CCC(O)CC3)c(-c3nnn[n-]3)c2)C[C@H](C)C1 ZINC000824875697 607701195 /nfs/dbraw/zinc/70/11/95/607701195.db2.gz NTQKXWBBTPJNKD-ZIAGYGMSSA-N -1 3 370.501 3.064 20 0 FGADHM C[C@H]1CC(Nc2ccc(N3CCC(O)CC3)c(-c3nn[n-]n3)c2)C[C@H](C)C1 ZINC000824875697 607701197 /nfs/dbraw/zinc/70/11/97/607701197.db2.gz NTQKXWBBTPJNKD-ZIAGYGMSSA-N -1 3 370.501 3.064 20 0 FGADHM CCO[C@H]1C[C@H](N(C)Cc2c(C)nn(CCC(=O)[O-])c2C)C12CCCC2 ZINC000833660061 604661090 /nfs/dbraw/zinc/66/10/90/604661090.db2.gz LLNMXTJRPHTSBW-ROUUACIJSA-N -1 3 363.502 3.144 20 0 FGADHM O=C([O-])CC1(NCc2nc(-c3ccc(F)c(F)c3)no2)CCCCC1 ZINC000833205843 604676769 /nfs/dbraw/zinc/67/67/69/604676769.db2.gz OMPUOBOFBYQBLG-UHFFFAOYSA-N -1 3 351.353 3.282 20 0 FGADHM C[C@@H](NC(=O)CN(C[C@H](C)C(=O)[O-])C1CC1)c1ccc(Cl)cc1Cl ZINC000827450768 604746287 /nfs/dbraw/zinc/74/62/87/604746287.db2.gz ZUODICYRFMNBTL-WDEREUQCSA-N -1 3 373.280 3.356 20 0 FGADHM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1ccccc1Oc1ccccc1 ZINC000824514180 607720119 /nfs/dbraw/zinc/72/01/19/607720119.db2.gz MOFHOKFKZWJIKE-ZDUSSCGKSA-N -1 3 374.404 3.478 20 0 FGADHM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1ccccc1Oc1ccccc1 ZINC000824514180 607720121 /nfs/dbraw/zinc/72/01/21/607720121.db2.gz MOFHOKFKZWJIKE-ZDUSSCGKSA-N -1 3 374.404 3.478 20 0 FGADHM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1ccc(Oc2ccccc2)cc1 ZINC000824513929 607720125 /nfs/dbraw/zinc/72/01/25/607720125.db2.gz KIDQJLANQZNSFW-ZDUSSCGKSA-N -1 3 374.404 3.478 20 0 FGADHM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1ccc(Oc2ccccc2)cc1 ZINC000824513929 607720127 /nfs/dbraw/zinc/72/01/27/607720127.db2.gz KIDQJLANQZNSFW-ZDUSSCGKSA-N -1 3 374.404 3.478 20 0 FGADHM C[C@H]1Cc2ccccc2N1C1CCN([C@@H](C(=O)[O-])c2cccnc2)CC1 ZINC000833634508 604923071 /nfs/dbraw/zinc/92/30/71/604923071.db2.gz MLDOSYULOGGQQM-MGPUTAFESA-N -1 3 351.450 3.123 20 0 FGADHM Cc1ccc(N(Cc2cccs2)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)cc1 ZINC000826290019 607734944 /nfs/dbraw/zinc/73/49/44/607734944.db2.gz WTROICJORXYDAM-UHFFFAOYSA-N -1 3 364.434 3.412 20 0 FGADHM Cc1ccc(N(Cc2cccs2)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)cc1 ZINC000826290019 607734945 /nfs/dbraw/zinc/73/49/45/607734945.db2.gz WTROICJORXYDAM-UHFFFAOYSA-N -1 3 364.434 3.412 20 0 FGADHM CC(C)CN(CCN(C)C)C(=O)Nc1scc(C2CC2)c1C(=O)[O-] ZINC000833486212 605138554 /nfs/dbraw/zinc/13/85/54/605138554.db2.gz CEBTUCDJYYHNQC-UHFFFAOYSA-N -1 3 353.488 3.375 20 0 FGADHM Cc1ccccc1COc1cccc(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)c1 ZINC000826307648 607736703 /nfs/dbraw/zinc/73/67/03/607736703.db2.gz QUXBXTYDDJREEP-UHFFFAOYSA-N -1 3 374.404 3.335 20 0 FGADHM Cc1ccccc1COc1cccc(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)c1 ZINC000826307648 607736704 /nfs/dbraw/zinc/73/67/04/607736704.db2.gz QUXBXTYDDJREEP-UHFFFAOYSA-N -1 3 374.404 3.335 20 0 FGADHM CC(C)(C(=O)[O-])[C@H](NCC(=O)N1CCCc2ccccc21)c1ccccc1 ZINC000833413701 605174917 /nfs/dbraw/zinc/17/49/17/605174917.db2.gz OPKZFOXCZCALNM-HXUWFJFHSA-N -1 3 366.461 3.408 20 0 FGADHM COc1ccccc1NC(=O)CN[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000833736539 605179591 /nfs/dbraw/zinc/17/95/91/605179591.db2.gz OPYRVLSJMVUXPR-SFHVURJKSA-N -1 3 356.422 3.075 20 0 FGADHM CC(C)(C)c1cc(NC(=O)CN[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])on1 ZINC000833449866 605181065 /nfs/dbraw/zinc/18/10/65/605181065.db2.gz CVJBPFLJLNYQJQ-KRWDZBQOSA-N -1 3 373.453 3.352 20 0 FGADHM c1ccc2c(c1)ncc(-c1nnn[n-]1)c2N1CCC(C2CCOCC2)CC1 ZINC000826522648 607739396 /nfs/dbraw/zinc/73/93/96/607739396.db2.gz IXOIGQXHSLXQPO-UHFFFAOYSA-N -1 3 364.453 3.058 20 0 FGADHM c1ccc2c(c1)ncc(-c1nn[n-]n1)c2N1CCC(C2CCOCC2)CC1 ZINC000826522648 607739397 /nfs/dbraw/zinc/73/93/97/607739397.db2.gz IXOIGQXHSLXQPO-UHFFFAOYSA-N -1 3 364.453 3.058 20 0 FGADHM O=C(c1ccc(-c2nnn[n-]2)[nH]1)N(Cc1cc(F)ccc1F)C1CCCC1 ZINC000826471091 607748681 /nfs/dbraw/zinc/74/86/81/607748681.db2.gz NHTLAGPBCHWERO-UHFFFAOYSA-N -1 3 372.379 3.058 20 0 FGADHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N(Cc1cc(F)ccc1F)C1CCCC1 ZINC000826471091 607748682 /nfs/dbraw/zinc/74/86/82/607748682.db2.gz NHTLAGPBCHWERO-UHFFFAOYSA-N -1 3 372.379 3.058 20 0 FGADHM Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826269263 607751310 /nfs/dbraw/zinc/75/13/10/607751310.db2.gz GLVYZXHEMWUHPQ-ZDUSSCGKSA-N -1 3 365.441 3.134 20 0 FGADHM Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826269263 607751311 /nfs/dbraw/zinc/75/13/11/607751311.db2.gz GLVYZXHEMWUHPQ-ZDUSSCGKSA-N -1 3 365.441 3.134 20 0 FGADHM O=C(c1ccc(-c2nnn[n-]2)[nH]1)N1CCc2cc(-c3ccccc3)ccc21 ZINC000826472042 607755001 /nfs/dbraw/zinc/75/50/01/607755001.db2.gz VXNSTFRYDYQDRJ-UHFFFAOYSA-N -1 3 356.389 3.065 20 0 FGADHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1CCc2cc(-c3ccccc3)ccc21 ZINC000826472042 607755002 /nfs/dbraw/zinc/75/50/02/607755002.db2.gz VXNSTFRYDYQDRJ-UHFFFAOYSA-N -1 3 356.389 3.065 20 0 FGADHM CC1([C@@H]2CCCN([C@H](C(=O)[O-])c3c(F)cccc3Cl)C2)OCCO1 ZINC000833563582 605444069 /nfs/dbraw/zinc/44/40/69/605444069.db2.gz HPMGVFHGOAABJD-ABAIWWIYSA-N -1 3 357.809 3.080 20 0 FGADHM O=C([O-])NCC1CCN(Cc2ccccc2OCc2ccncc2)CC1 ZINC000834224645 605488231 /nfs/dbraw/zinc/48/82/31/605488231.db2.gz CCLWBWRNVYWBRW-UHFFFAOYSA-N -1 3 355.438 3.140 20 0 FGADHM CC(C)[C@@H](N[C@H](C)C[C@@H]1CCCN1C(=O)[O-])c1nc(-c2cccnc2)no1 ZINC000824769055 605497209 /nfs/dbraw/zinc/49/72/09/605497209.db2.gz RSIVVAHZRRKJNA-VNQPRFMTSA-N -1 3 373.457 3.339 20 0 FGADHM CS[C@@H](C)CNC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826225372 607764117 /nfs/dbraw/zinc/76/41/17/607764117.db2.gz AHNICQUMJRKRFQ-LBPRGKRZSA-N -1 3 369.450 3.140 20 0 FGADHM CS[C@@H](C)CNC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826225372 607764118 /nfs/dbraw/zinc/76/41/18/607764118.db2.gz AHNICQUMJRKRFQ-LBPRGKRZSA-N -1 3 369.450 3.140 20 0 FGADHM O=C([O-])Nc1cccc(CN2CCC(NC(=O)c3ccccc3)CC2)c1 ZINC000834267715 605594257 /nfs/dbraw/zinc/59/42/57/605594257.db2.gz ABDAFQGZYZZEHP-UHFFFAOYSA-N -1 3 353.422 3.171 20 0 FGADHM CC(F)(F)CCC(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000824465457 607768462 /nfs/dbraw/zinc/76/84/62/607768462.db2.gz PSMKYMXAXSJHNH-UHFFFAOYSA-N -1 3 364.381 3.364 20 0 FGADHM CC(F)(F)CCC(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000824465457 607768463 /nfs/dbraw/zinc/76/84/63/607768463.db2.gz PSMKYMXAXSJHNH-UHFFFAOYSA-N -1 3 364.381 3.364 20 0 FGADHM O=C([O-])NCCCOC1CCN(C/C=C/c2ccc(Cl)cc2)CC1 ZINC000834238454 605671298 /nfs/dbraw/zinc/67/12/98/605671298.db2.gz MSBYKLQUYLXHCJ-HNQUOIGGSA-N -1 3 352.862 3.492 20 0 FGADHM Cc1cc(C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)ccc1NC(=O)[O-] ZINC000829914815 605713676 /nfs/dbraw/zinc/71/36/76/605713676.db2.gz YEVMXKKWBGPSAZ-GOSISDBHSA-N -1 3 367.449 3.431 20 0 FGADHM CC[C@H](CSc1ccccc1)NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825128824 607772176 /nfs/dbraw/zinc/77/21/76/607772176.db2.gz ZDPBAMQCTPEBAW-OAHLLOKOSA-N -1 3 353.451 3.167 20 0 FGADHM CC[C@H](CSc1ccccc1)NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825128824 607772177 /nfs/dbraw/zinc/77/21/77/607772177.db2.gz ZDPBAMQCTPEBAW-OAHLLOKOSA-N -1 3 353.451 3.167 20 0 FGADHM CCOc1ccc(Oc2cc(CN[C@H]3CCN(C(=O)[O-])C3)ccn2)cc1 ZINC000827445007 605837846 /nfs/dbraw/zinc/83/78/46/605837846.db2.gz SUZVNEXCAHKQMP-HNNXBMFYSA-N -1 3 357.410 3.115 20 0 FGADHM CCN(C[C@H]1CCN(Cc2cc(C(=O)[O-])ccc2F)C1)CC(F)(F)F ZINC000833654420 605838463 /nfs/dbraw/zinc/83/84/63/605838463.db2.gz OXBWHZIQMDAXQK-GFCCVEGCSA-N -1 3 362.367 3.230 20 0 FGADHM CC(C)(C)OC(=O)NC[C@](C)(NCc1cc(C(=O)[O-])ccc1F)C1CC1 ZINC000833438559 605839916 /nfs/dbraw/zinc/83/99/16/605839916.db2.gz KDHZOYFOVOIQHG-IBGZPJMESA-N -1 3 366.433 3.307 20 0 FGADHM Cc1[nH]ccc1C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000822010279 606067660 /nfs/dbraw/zinc/06/76/60/606067660.db2.gz WDLACCHKTPIEPC-UHFFFAOYSA-N -1 3 364.434 3.162 20 0 FGADHM c1ccc([C@@H]2CN(c3nc4ccccc4cc3-c3nnn[n-]3)CCCO2)cc1 ZINC000823780985 606076425 /nfs/dbraw/zinc/07/64/25/606076425.db2.gz XZZSJQJXZLXKNB-IBGZPJMESA-N -1 3 372.432 3.383 20 0 FGADHM c1ccc([C@@H]2CN(c3nc4ccccc4cc3-c3nn[n-]n3)CCCO2)cc1 ZINC000823780985 606076429 /nfs/dbraw/zinc/07/64/29/606076429.db2.gz XZZSJQJXZLXKNB-IBGZPJMESA-N -1 3 372.432 3.383 20 0 FGADHM Cc1ncc2c(n1)CCC[C@@H]2Nc1nc2ccccc2cc1-c1nnn[n-]1 ZINC000822471427 606087902 /nfs/dbraw/zinc/08/79/02/606087902.db2.gz BRLZAJLXIRAZJY-KRWDZBQOSA-N -1 3 358.409 3.003 20 0 FGADHM Cc1ncc2c(n1)CCC[C@@H]2Nc1nc2ccccc2cc1-c1nn[n-]n1 ZINC000822471427 606087905 /nfs/dbraw/zinc/08/79/05/606087905.db2.gz BRLZAJLXIRAZJY-KRWDZBQOSA-N -1 3 358.409 3.003 20 0 FGADHM C[C@@H]1[C@H](Cc2ccccc2)CCN1C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000820643119 606104102 /nfs/dbraw/zinc/10/41/02/606104102.db2.gz QGZPHOJCEMLJSK-DUSJZKHYSA-N -1 3 373.460 3.360 20 0 FGADHM C[C@@H]1[C@H](Cc2ccccc2)CCN1C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000820643119 606104104 /nfs/dbraw/zinc/10/41/04/606104104.db2.gz QGZPHOJCEMLJSK-DUSJZKHYSA-N -1 3 373.460 3.360 20 0 FGADHM Cc1noc(C(F)(F)F)c1C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000822519852 606108745 /nfs/dbraw/zinc/10/87/45/606108745.db2.gz NBGHIFKYQUEQDP-UHFFFAOYSA-N -1 3 372.694 3.088 20 0 FGADHM Cc1noc(C(F)(F)F)c1C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000822519852 606108746 /nfs/dbraw/zinc/10/87/46/606108746.db2.gz NBGHIFKYQUEQDP-UHFFFAOYSA-N -1 3 372.694 3.088 20 0 FGADHM COc1ccc([C@@H](C)CC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821778028 606117044 /nfs/dbraw/zinc/11/70/44/606117044.db2.gz RXBADSJQMQQXIZ-UONOGXRCSA-N -1 3 365.437 3.246 20 0 FGADHM COc1ccc([C@@H](C)CC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821778028 606117046 /nfs/dbraw/zinc/11/70/46/606117046.db2.gz RXBADSJQMQQXIZ-UONOGXRCSA-N -1 3 365.437 3.246 20 0 FGADHM CCO[C@H](CCNC(=O)Nc1cc(-c2nnn[n-]2)ccc1C)C1CCCC1 ZINC000821350828 606120359 /nfs/dbraw/zinc/12/03/59/606120359.db2.gz DYEZHJKOZRVKKI-QGZVFWFLSA-N -1 3 372.473 3.282 20 0 FGADHM CCO[C@H](CCNC(=O)Nc1cc(-c2nn[n-]n2)ccc1C)C1CCCC1 ZINC000821350828 606120361 /nfs/dbraw/zinc/12/03/61/606120361.db2.gz DYEZHJKOZRVKKI-QGZVFWFLSA-N -1 3 372.473 3.282 20 0 FGADHM CCS[C@@H]1CCCC[C@H]1NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000821455903 606121528 /nfs/dbraw/zinc/12/15/28/606121528.db2.gz MOBGNVSJJWVZRV-NFGWICIOSA-N -1 3 357.483 3.060 20 0 FGADHM CCS[C@@H]1CCCC[C@H]1NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000821455903 606121531 /nfs/dbraw/zinc/12/15/31/606121531.db2.gz MOBGNVSJJWVZRV-NFGWICIOSA-N -1 3 357.483 3.060 20 0 FGADHM Cc1cccnc1C(=O)N(Cc1ccccc1)c1ccccc1-c1nnn[n-]1 ZINC000822366940 606126897 /nfs/dbraw/zinc/12/68/97/606126897.db2.gz XCBQPBAFLWIGCD-UHFFFAOYSA-N -1 3 370.416 3.417 20 0 FGADHM Cc1cccnc1C(=O)N(Cc1ccccc1)c1ccccc1-c1nn[n-]n1 ZINC000822366940 606126899 /nfs/dbraw/zinc/12/68/99/606126899.db2.gz XCBQPBAFLWIGCD-UHFFFAOYSA-N -1 3 370.416 3.417 20 0 FGADHM CC[C@H](Oc1ccccc1C)C(=O)OCc1cc(-c2nnn[n-]2)ccc1F ZINC000820938920 606127059 /nfs/dbraw/zinc/12/70/59/606127059.db2.gz OPVGXTBBEGCYOE-INIZCTEOSA-N -1 3 370.384 3.215 20 0 FGADHM CC[C@H](Oc1ccccc1C)C(=O)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000820938920 606127060 /nfs/dbraw/zinc/12/70/60/606127060.db2.gz OPVGXTBBEGCYOE-INIZCTEOSA-N -1 3 370.384 3.215 20 0 FGADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C/C=C/c1ccc(F)cc1 ZINC000821608634 606136490 /nfs/dbraw/zinc/13/64/90/606136490.db2.gz OLUXJCQZDSAUHL-NSCUHMNNSA-N -1 3 351.385 3.068 20 0 FGADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C/C=C/c1ccc(F)cc1 ZINC000821608634 606136492 /nfs/dbraw/zinc/13/64/92/606136492.db2.gz OLUXJCQZDSAUHL-NSCUHMNNSA-N -1 3 351.385 3.068 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cccc2[nH]ccc21 ZINC000821104823 606136539 /nfs/dbraw/zinc/13/65/39/606136539.db2.gz SBMCMCLTKHFSKZ-UHFFFAOYSA-N -1 3 360.421 3.400 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cccc2[nH]ccc21 ZINC000821104823 606136540 /nfs/dbraw/zinc/13/65/40/606136540.db2.gz SBMCMCLTKHFSKZ-UHFFFAOYSA-N -1 3 360.421 3.400 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)OCCCc1ccc(Cl)cc1 ZINC000823107702 606145005 /nfs/dbraw/zinc/14/50/05/606145005.db2.gz FSMVZGQLLSKTKR-UHFFFAOYSA-N -1 3 356.813 3.239 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)OCCCc1ccc(Cl)cc1 ZINC000823107702 606145007 /nfs/dbraw/zinc/14/50/07/606145007.db2.gz FSMVZGQLLSKTKR-UHFFFAOYSA-N -1 3 356.813 3.239 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)OCc1ccccc1C(F)(F)F ZINC000823112080 606147191 /nfs/dbraw/zinc/14/71/91/606147191.db2.gz RYAVSNOFICHFQS-UHFFFAOYSA-N -1 3 362.311 3.171 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)OCc1ccccc1C(F)(F)F ZINC000823112080 606147193 /nfs/dbraw/zinc/14/71/93/606147193.db2.gz RYAVSNOFICHFQS-UHFFFAOYSA-N -1 3 362.311 3.171 20 0 FGADHM O=C(C/C=C/c1ccc(F)cc1)OCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000822945792 606148352 /nfs/dbraw/zinc/14/83/52/606148352.db2.gz RCQNABDUGDHLRP-OWOJBTEDSA-N -1 3 368.368 3.031 20 0 FGADHM Cc1ccc(CCCC(=O)OCCOc2ccccc2-c2nnn[n-]2)s1 ZINC000822235873 606192766 /nfs/dbraw/zinc/19/27/66/606192766.db2.gz AJGAFKODBUBBEE-UHFFFAOYSA-N -1 3 372.450 3.182 20 0 FGADHM Cc1ccc(CCCC(=O)OCCOc2ccccc2-c2nn[n-]n2)s1 ZINC000822235873 606192767 /nfs/dbraw/zinc/19/27/67/606192767.db2.gz AJGAFKODBUBBEE-UHFFFAOYSA-N -1 3 372.450 3.182 20 0 FGADHM C/C=C(/C)C(=O)Nc1ccc(Oc2ncccc2-c2nnn[n-]2)cc1C ZINC000820827591 606201706 /nfs/dbraw/zinc/20/17/06/606201706.db2.gz UOEHBPYNYKQLTG-WCIBSUBMSA-N -1 3 350.382 3.267 20 0 FGADHM COc1cccc(C(C)=CC(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821857889 606219660 /nfs/dbraw/zinc/21/96/60/606219660.db2.gz BGIRDZRQKXIHIK-FZDNWWAKSA-N -1 3 363.421 3.156 20 0 FGADHM COc1cccc(C(C)=CC(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821857889 606219662 /nfs/dbraw/zinc/21/96/62/606219662.db2.gz BGIRDZRQKXIHIK-FZDNWWAKSA-N -1 3 363.421 3.156 20 0 FGADHM c1sc(CNc2ccc(OC[C@@H]3CCCO3)cc2)cc1-c1nnn[n-]1 ZINC000823762654 606220324 /nfs/dbraw/zinc/22/03/24/606220324.db2.gz RSVLEHFVCGPGNX-HNNXBMFYSA-N -1 3 357.439 3.098 20 0 FGADHM c1sc(CNc2ccc(OC[C@@H]3CCCO3)cc2)cc1-c1nn[n-]n1 ZINC000823762654 606220326 /nfs/dbraw/zinc/22/03/26/606220326.db2.gz RSVLEHFVCGPGNX-HNNXBMFYSA-N -1 3 357.439 3.098 20 0 FGADHM Clc1ccc2c(c1Cl)OC[C@@H]2NCc1cc(-c2nnn[n-]2)cs1 ZINC000822581200 606223795 /nfs/dbraw/zinc/22/37/95/606223795.db2.gz DKANIDMZKAMTLN-NSHDSACASA-N -1 3 368.249 3.458 20 0 FGADHM Clc1ccc2c(c1Cl)OC[C@@H]2NCc1cc(-c2nn[n-]n2)cs1 ZINC000822581200 606223798 /nfs/dbraw/zinc/22/37/98/606223798.db2.gz DKANIDMZKAMTLN-NSHDSACASA-N -1 3 368.249 3.458 20 0 FGADHM Oc1cccc2c1CC[C@@H]2Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000823731920 606241423 /nfs/dbraw/zinc/24/14/23/606241423.db2.gz HGVHVYJNVPIUOT-NSHDSACASA-N -1 3 362.315 3.086 20 0 FGADHM Oc1cccc2c1CC[C@@H]2Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000823731920 606241425 /nfs/dbraw/zinc/24/14/25/606241425.db2.gz HGVHVYJNVPIUOT-NSHDSACASA-N -1 3 362.315 3.086 20 0 FGADHM Cc1c(Cl)cccc1N[C@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000822035298 606242188 /nfs/dbraw/zinc/24/21/88/606242188.db2.gz RYHZOXXCRGQYKH-INIZCTEOSA-N -1 3 368.828 3.046 20 0 FGADHM Cc1c(Cl)cccc1N[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000822035298 606242190 /nfs/dbraw/zinc/24/21/90/606242190.db2.gz RYHZOXXCRGQYKH-INIZCTEOSA-N -1 3 368.828 3.046 20 0 FGADHM C[C@@]1(CNc2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)CCCC[C@H]1O ZINC000820618368 606242352 /nfs/dbraw/zinc/24/23/52/606242352.db2.gz AZPHPSXPKXEXEY-KDOFPFPSSA-N -1 3 374.395 3.046 20 0 FGADHM C[C@@]1(CNc2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)CCCC[C@H]1O ZINC000820618368 606242353 /nfs/dbraw/zinc/24/23/53/606242353.db2.gz AZPHPSXPKXEXEY-KDOFPFPSSA-N -1 3 374.395 3.046 20 0 FGADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N[C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000822632361 606249176 /nfs/dbraw/zinc/24/91/76/606249176.db2.gz VZDWBXMRSXHTJB-INIZCTEOSA-N -1 3 370.844 3.130 20 0 FGADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N[C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000822632361 606249177 /nfs/dbraw/zinc/24/91/77/606249177.db2.gz VZDWBXMRSXHTJB-INIZCTEOSA-N -1 3 370.844 3.130 20 0 FGADHM Cc1cccc([C@H](NC(=O)c2cc(-c3nnn[n-]3)cn2C)C(C)(C)C)c1 ZINC000822288763 606261757 /nfs/dbraw/zinc/26/17/57/606261757.db2.gz IVSRIFGPVFINJV-INIZCTEOSA-N -1 3 352.442 3.031 20 0 FGADHM Cc1cccc([C@H](NC(=O)c2cc(-c3nn[n-]n3)cn2C)C(C)(C)C)c1 ZINC000822288763 606261759 /nfs/dbraw/zinc/26/17/59/606261759.db2.gz IVSRIFGPVFINJV-INIZCTEOSA-N -1 3 352.442 3.031 20 0 FGADHM O=C(Cc1ccc(C(F)(F)F)cc1)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000823082849 606262549 /nfs/dbraw/zinc/26/25/49/606262549.db2.gz TVMYFHCXLFQZEP-UHFFFAOYSA-N -1 3 365.290 3.206 20 0 FGADHM O=C(Cc1ccc(C(F)(F)F)cc1)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000823082849 606262551 /nfs/dbraw/zinc/26/25/51/606262551.db2.gz TVMYFHCXLFQZEP-UHFFFAOYSA-N -1 3 365.290 3.206 20 0 FGADHM Cc1ccc2c(CCC(=O)Nc3ccc(F)cc3-c3nnn[n-]3)c[nH]c2c1 ZINC000822274795 606263227 /nfs/dbraw/zinc/26/32/27/606263227.db2.gz JLUGUHIUJFFOGW-UHFFFAOYSA-N -1 3 364.384 3.367 20 0 FGADHM Cc1ccc2c(CCC(=O)Nc3ccc(F)cc3-c3nn[n-]n3)c[nH]c2c1 ZINC000822274795 606263229 /nfs/dbraw/zinc/26/32/29/606263229.db2.gz JLUGUHIUJFFOGW-UHFFFAOYSA-N -1 3 364.384 3.367 20 0 FGADHM Cc1nc(CC(C)C)sc1C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000822436769 606268444 /nfs/dbraw/zinc/26/84/44/606268444.db2.gz QSMOSKFPTUAANK-UHFFFAOYSA-N -1 3 360.418 3.222 20 0 FGADHM Cc1nc(CC(C)C)sc1C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000822436769 606268445 /nfs/dbraw/zinc/26/84/45/606268445.db2.gz QSMOSKFPTUAANK-UHFFFAOYSA-N -1 3 360.418 3.222 20 0 FGADHM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820938502 606272854 /nfs/dbraw/zinc/27/28/54/606272854.db2.gz KMGQLDKDQAJSDJ-KFNAQCHYSA-N -1 3 361.421 3.318 20 0 FGADHM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820938502 606272855 /nfs/dbraw/zinc/27/28/55/606272855.db2.gz KMGQLDKDQAJSDJ-KFNAQCHYSA-N -1 3 361.421 3.318 20 0 FGADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)Nc1ccc(OCC(F)F)cc1 ZINC000822979177 606301468 /nfs/dbraw/zinc/30/14/68/606301468.db2.gz XXODMSGNNPWNHA-UHFFFAOYSA-N -1 3 373.363 3.082 20 0 FGADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)Nc1ccc(OCC(F)F)cc1 ZINC000822979177 606301469 /nfs/dbraw/zinc/30/14/69/606301469.db2.gz XXODMSGNNPWNHA-UHFFFAOYSA-N -1 3 373.363 3.082 20 0 FGADHM Cc1ccc(S[C@@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)cc1 ZINC000822266725 606310560 /nfs/dbraw/zinc/31/05/60/606310560.db2.gz FVBVCJNNPWCLRJ-CYBMUJFWSA-N -1 3 357.464 3.134 20 0 FGADHM Cc1ccc(S[C@@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)cc1 ZINC000822266725 606310562 /nfs/dbraw/zinc/31/05/62/606310562.db2.gz FVBVCJNNPWCLRJ-CYBMUJFWSA-N -1 3 357.464 3.134 20 0 FGADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N(Cc1ccco1)c1ccc(Cl)cc1 ZINC000823460833 606322797 /nfs/dbraw/zinc/32/27/97/606322797.db2.gz WWWNVTBDLAJEMZ-UHFFFAOYSA-N -1 3 368.784 3.288 20 0 FGADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N(Cc1ccco1)c1ccc(Cl)cc1 ZINC000823460833 606322798 /nfs/dbraw/zinc/32/27/98/606322798.db2.gz WWWNVTBDLAJEMZ-UHFFFAOYSA-N -1 3 368.784 3.288 20 0 FGADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1Cc2ccccc2C[C@H]1c1ccccc1 ZINC000823466656 606324209 /nfs/dbraw/zinc/32/42/09/606324209.db2.gz NRBPOTKFHOUUHF-IBGZPJMESA-N -1 3 370.416 3.135 20 0 FGADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1Cc2ccccc2C[C@H]1c1ccccc1 ZINC000823466656 606324211 /nfs/dbraw/zinc/32/42/11/606324211.db2.gz NRBPOTKFHOUUHF-IBGZPJMESA-N -1 3 370.416 3.135 20 0 FGADHM C[C@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccc(F)cc1F ZINC000820556049 606325118 /nfs/dbraw/zinc/32/51/18/606325118.db2.gz RAMPNCKHCBUNAC-VIFPVBQESA-N -1 3 361.377 3.264 20 0 FGADHM C[C@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccc(F)cc1F ZINC000820556049 606325120 /nfs/dbraw/zinc/32/51/20/606325120.db2.gz RAMPNCKHCBUNAC-VIFPVBQESA-N -1 3 361.377 3.264 20 0 FGADHM O=C1[C@@H](Sc2cccc(-c3nnn[n-]3)c2)CCCN1c1cccc(F)c1 ZINC000823512401 606326445 /nfs/dbraw/zinc/32/64/45/606326445.db2.gz OWHBGWKKEKEGMV-INIZCTEOSA-N -1 3 369.425 3.294 20 0 FGADHM O=C1[C@@H](Sc2cccc(-c3nn[n-]n3)c2)CCCN1c1cccc(F)c1 ZINC000823512401 606326446 /nfs/dbraw/zinc/32/64/46/606326446.db2.gz OWHBGWKKEKEGMV-INIZCTEOSA-N -1 3 369.425 3.294 20 0 FGADHM C[C@@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000820555070 606326612 /nfs/dbraw/zinc/32/66/12/606326612.db2.gz FTPLCXISFPXOSU-NWDGAFQWSA-N -1 3 371.441 3.364 20 0 FGADHM C[C@@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000820555070 606326614 /nfs/dbraw/zinc/32/66/14/606326614.db2.gz FTPLCXISFPXOSU-NWDGAFQWSA-N -1 3 371.441 3.364 20 0 FGADHM C[C@@H](OC(=O)C1(c2cccc(F)c2)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820487502 606340295 /nfs/dbraw/zinc/34/02/95/606340295.db2.gz HLNCZZNTJJZSLO-GFCCVEGCSA-N -1 3 352.369 3.342 20 0 FGADHM C[C@@H](OC(=O)C1(c2cccc(F)c2)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820487502 606340297 /nfs/dbraw/zinc/34/02/97/606340297.db2.gz HLNCZZNTJJZSLO-GFCCVEGCSA-N -1 3 352.369 3.342 20 0 FGADHM C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820643436 606343410 /nfs/dbraw/zinc/34/34/10/606343410.db2.gz WLCFDMZTVRKYSN-WFASDCNBSA-N -1 3 366.400 3.416 20 0 FGADHM C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820643436 606343413 /nfs/dbraw/zinc/34/34/13/606343413.db2.gz WLCFDMZTVRKYSN-WFASDCNBSA-N -1 3 366.400 3.416 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NC[C@H](c1cccnc1)C(C)C ZINC000822220299 606345399 /nfs/dbraw/zinc/34/53/99/606345399.db2.gz LEPXFKNVLWTOQA-INIZCTEOSA-N -1 3 365.441 3.131 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NC[C@H](c1cccnc1)C(C)C ZINC000822220299 606345400 /nfs/dbraw/zinc/34/54/00/606345400.db2.gz LEPXFKNVLWTOQA-INIZCTEOSA-N -1 3 365.441 3.131 20 0 FGADHM Cc1cc(C)cc(OCC(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822197503 606345488 /nfs/dbraw/zinc/34/54/88/606345488.db2.gz DCINDYMIGCFMNK-AWEZNQCLSA-N -1 3 352.394 3.167 20 0 FGADHM Cc1cc(C)cc(OCC(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822197503 606345490 /nfs/dbraw/zinc/34/54/90/606345490.db2.gz DCINDYMIGCFMNK-AWEZNQCLSA-N -1 3 352.394 3.167 20 0 FGADHM COc1cccc([C@@H]2C[C@H]2C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821864346 606348217 /nfs/dbraw/zinc/34/82/17/606348217.db2.gz XXUAGVHCANWKHR-OCBCSQNSSA-N -1 3 364.405 3.283 20 0 FGADHM COc1cccc([C@@H]2C[C@H]2C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821864346 606348219 /nfs/dbraw/zinc/34/82/19/606348219.db2.gz XXUAGVHCANWKHR-OCBCSQNSSA-N -1 3 364.405 3.283 20 0 FGADHM C[C@@H](CN(C)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1)c1ccccc1 ZINC000820253427 606349101 /nfs/dbraw/zinc/34/91/01/606349101.db2.gz IDJXANWAUBCAQN-LBPRGKRZSA-N -1 3 354.389 3.273 20 0 FGADHM C[C@@H](CN(C)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1)c1ccccc1 ZINC000820253427 606349102 /nfs/dbraw/zinc/34/91/02/606349102.db2.gz IDJXANWAUBCAQN-LBPRGKRZSA-N -1 3 354.389 3.273 20 0 FGADHM C[C@H](OC(=O)c1cc(-c2ccccc2)no1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820501702 606349585 /nfs/dbraw/zinc/34/95/85/606349585.db2.gz KKEAUDKEYOCRFE-LBPRGKRZSA-N -1 3 361.361 3.440 20 0 FGADHM C[C@H](OC(=O)c1cc(-c2ccccc2)no1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820501702 606349586 /nfs/dbraw/zinc/34/95/86/606349586.db2.gz KKEAUDKEYOCRFE-LBPRGKRZSA-N -1 3 361.361 3.440 20 0 FGADHM C[C@H](OC(=O)C[C@@H]1OCCc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000820487755 606350407 /nfs/dbraw/zinc/35/04/07/606350407.db2.gz ILYMLAMKWGMCFX-UGSOOPFHSA-N -1 3 364.405 3.175 20 0 FGADHM C[C@H](OC(=O)C[C@@H]1OCCc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000820487755 606350408 /nfs/dbraw/zinc/35/04/08/606350408.db2.gz ILYMLAMKWGMCFX-UGSOOPFHSA-N -1 3 364.405 3.175 20 0 FGADHM CCc1c(C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)[nH]c(C)c1C(C)=O ZINC000821460976 606356179 /nfs/dbraw/zinc/35/61/79/606356179.db2.gz HSUUNCRSCXNQEG-LBPRGKRZSA-N -1 3 367.409 3.186 20 0 FGADHM CCc1c(C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)[nH]c(C)c1C(C)=O ZINC000821460976 606356181 /nfs/dbraw/zinc/35/61/81/606356181.db2.gz HSUUNCRSCXNQEG-LBPRGKRZSA-N -1 3 367.409 3.186 20 0 FGADHM CCS[C@@H]1CCC[C@@H](NC(=O)Nc2cc(-c3nnn[n-]3)ccc2C)C1 ZINC000821455841 606382895 /nfs/dbraw/zinc/38/28/95/606382895.db2.gz MANFIDBDOUMBGA-ZIAGYGMSSA-N -1 3 360.487 3.361 20 0 FGADHM CCS[C@@H]1CCC[C@@H](NC(=O)Nc2cc(-c3nn[n-]n3)ccc2C)C1 ZINC000821455841 606382896 /nfs/dbraw/zinc/38/28/96/606382896.db2.gz MANFIDBDOUMBGA-ZIAGYGMSSA-N -1 3 360.487 3.361 20 0 FGADHM C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000820649231 606383146 /nfs/dbraw/zinc/38/31/46/606383146.db2.gz KAEGXYZZDKLSIJ-IAQYHMDHSA-N -1 3 360.437 3.020 20 0 FGADHM C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000820649231 606383148 /nfs/dbraw/zinc/38/31/48/606383148.db2.gz KAEGXYZZDKLSIJ-IAQYHMDHSA-N -1 3 360.437 3.020 20 0 FGADHM CC[C@@H](Oc1ccccc1Cl)C(=O)OCc1ccccc1-c1nn[n-]n1 ZINC000820937741 606395265 /nfs/dbraw/zinc/39/52/65/606395265.db2.gz CLXOGODHMLBCJE-OAHLLOKOSA-N -1 3 372.812 3.421 20 0 FGADHM CC[C@@H](Oc1ccccc1Cl)C(=O)OCc1ccccc1-c1nnn[n-]1 ZINC000820937741 606395263 /nfs/dbraw/zinc/39/52/63/606395263.db2.gz CLXOGODHMLBCJE-OAHLLOKOSA-N -1 3 372.812 3.421 20 0 FGADHM Cc1nn(C(C)(C)C)c(C)c1C(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000822486628 606396862 /nfs/dbraw/zinc/39/68/62/606396862.db2.gz QSYTVYCEYBBAAA-ZDUSSCGKSA-N -1 3 368.441 3.353 20 0 FGADHM Cc1nn(C(C)(C)C)c(C)c1C(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000822486628 606396863 /nfs/dbraw/zinc/39/68/63/606396863.db2.gz QSYTVYCEYBBAAA-ZDUSSCGKSA-N -1 3 368.441 3.353 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1NCCC1CCN(CC(F)(F)F)CC1 ZINC000822748179 606434549 /nfs/dbraw/zinc/43/45/49/606434549.db2.gz LRBMGIUASDPIFV-UHFFFAOYSA-N -1 3 372.370 3.082 20 0 FGADHM C[C@@H]1CCCN1C(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000820709986 606438459 /nfs/dbraw/zinc/43/84/59/606438459.db2.gz MVMPICNRDGQYIR-CQSZACIVSA-N -1 3 363.421 3.070 20 0 FGADHM C[C@@H]1CCCN1C(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000820709986 606438461 /nfs/dbraw/zinc/43/84/61/606438461.db2.gz MVMPICNRDGQYIR-CQSZACIVSA-N -1 3 363.421 3.070 20 0 FGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N1CCC(c2cccc(F)c2)CC1 ZINC000823359751 606439538 /nfs/dbraw/zinc/43/95/38/606439538.db2.gz RXBBIIKLRHPZJA-UHFFFAOYSA-N -1 3 366.400 3.417 20 0 FGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N1CCC(c2cccc(F)c2)CC1 ZINC000823359751 606439540 /nfs/dbraw/zinc/43/95/40/606439540.db2.gz RXBBIIKLRHPZJA-UHFFFAOYSA-N -1 3 366.400 3.417 20 0 FGADHM Cc1cc([C@H](C)NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)ccc1F ZINC000822191987 606442518 /nfs/dbraw/zinc/44/25/18/606442518.db2.gz WFORUUVJVSSZNV-STQMWFEESA-N -1 3 368.416 3.436 20 0 FGADHM Cc1cc([C@H](C)NC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)ccc1F ZINC000822191987 606442520 /nfs/dbraw/zinc/44/25/20/606442520.db2.gz WFORUUVJVSSZNV-STQMWFEESA-N -1 3 368.416 3.436 20 0 FGADHM COCCCOc1ccccc1NCc1cc(-c2nnn[n-]2)ccc1F ZINC000821688201 606457360 /nfs/dbraw/zinc/45/73/60/606457360.db2.gz BTPLFENWTNMNAS-UHFFFAOYSA-N -1 3 357.389 3.033 20 0 FGADHM COCCCOc1ccccc1NCc1cc(-c2nn[n-]n2)ccc1F ZINC000821688201 606457362 /nfs/dbraw/zinc/45/73/62/606457362.db2.gz BTPLFENWTNMNAS-UHFFFAOYSA-N -1 3 357.389 3.033 20 0 FGADHM CN(c1ccccc1)C1CCN(c2c(F)cc(-c3nnn[n-]3)cc2F)CC1 ZINC000821619487 606471520 /nfs/dbraw/zinc/47/15/20/606471520.db2.gz ZBLVGABGCOVZGA-UHFFFAOYSA-N -1 3 370.407 3.250 20 0 FGADHM CN(c1ccccc1)C1CCN(c2c(F)cc(-c3nn[n-]n3)cc2F)CC1 ZINC000821619487 606471522 /nfs/dbraw/zinc/47/15/22/606471522.db2.gz ZBLVGABGCOVZGA-UHFFFAOYSA-N -1 3 370.407 3.250 20 0 FGADHM O=C(NC(c1ccccc1)c1ccccc1)c1cc(-c2nnn[n-]2)cs1 ZINC000823139341 606477757 /nfs/dbraw/zinc/47/77/57/606477757.db2.gz DYGQLEFHCMRBRR-UHFFFAOYSA-N -1 3 361.430 3.448 20 0 FGADHM O=C(NC(c1ccccc1)c1ccccc1)c1cc(-c2nn[n-]n2)cs1 ZINC000823139341 606477758 /nfs/dbraw/zinc/47/77/58/606477758.db2.gz DYGQLEFHCMRBRR-UHFFFAOYSA-N -1 3 361.430 3.448 20 0 FGADHM CCN(Cc1ccc(Cl)s1)C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000821222041 606483351 /nfs/dbraw/zinc/48/33/51/606483351.db2.gz NYVVODYQRQTDMY-UHFFFAOYSA-N -1 3 353.860 3.305 20 0 FGADHM CCN(Cc1ccc(Cl)s1)C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000821222041 606483353 /nfs/dbraw/zinc/48/33/53/606483353.db2.gz NYVVODYQRQTDMY-UHFFFAOYSA-N -1 3 353.860 3.305 20 0 FGADHM COc1cc(Cl)c(Cl)cc1C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000821717669 606489089 /nfs/dbraw/zinc/48/90/89/606489089.db2.gz SMBZWGUISALDKS-UHFFFAOYSA-N -1 3 364.192 3.434 20 0 FGADHM COc1cc(Cl)c(Cl)cc1C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000821717669 606489090 /nfs/dbraw/zinc/48/90/90/606489090.db2.gz SMBZWGUISALDKS-UHFFFAOYSA-N -1 3 364.192 3.434 20 0 FGADHM CC(C)CN(Cc1ccccc1F)C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820091804 606491766 /nfs/dbraw/zinc/49/17/66/606491766.db2.gz AURMCWNLQRWMLL-UHFFFAOYSA-N -1 3 359.430 3.366 20 0 FGADHM CC(C)CN(Cc1ccccc1F)C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820091804 606491768 /nfs/dbraw/zinc/49/17/68/606491768.db2.gz AURMCWNLQRWMLL-UHFFFAOYSA-N -1 3 359.430 3.366 20 0 FGADHM CCCN(C(=O)c1cc(-c2nnn[n-]2)cs1)[C@H]1CCc2ccccc2C1 ZINC000821083418 606497207 /nfs/dbraw/zinc/49/72/07/606497207.db2.gz YODJDKQAZQITLJ-INIZCTEOSA-N -1 3 367.478 3.338 20 0 FGADHM CCCN(C(=O)c1cc(-c2nn[n-]n2)cs1)[C@H]1CCc2ccccc2C1 ZINC000821083418 606497209 /nfs/dbraw/zinc/49/72/09/606497209.db2.gz YODJDKQAZQITLJ-INIZCTEOSA-N -1 3 367.478 3.338 20 0 FGADHM O=C(Nc1scnc1-c1ccccc1)c1cc(-c2nnn[n-]2)cs1 ZINC000823386989 606501393 /nfs/dbraw/zinc/50/13/93/606501393.db2.gz AKGMCXZNQOFXHS-UHFFFAOYSA-N -1 3 354.420 3.304 20 0 FGADHM O=C(Nc1scnc1-c1ccccc1)c1cc(-c2nn[n-]n2)cs1 ZINC000823386989 606501394 /nfs/dbraw/zinc/50/13/94/606501394.db2.gz AKGMCXZNQOFXHS-UHFFFAOYSA-N -1 3 354.420 3.304 20 0 FGADHM O=C(c1cc(-c2nnn[n-]2)cs1)N1CC2(CCC2)c2c1cccc2F ZINC000823465997 606503048 /nfs/dbraw/zinc/50/30/48/606503048.db2.gz DWTNACCFIHFNEU-UHFFFAOYSA-N -1 3 355.398 3.149 20 0 FGADHM O=C(c1cc(-c2nn[n-]n2)cs1)N1CC2(CCC2)c2c1cccc2F ZINC000823465997 606503050 /nfs/dbraw/zinc/50/30/50/606503050.db2.gz DWTNACCFIHFNEU-UHFFFAOYSA-N -1 3 355.398 3.149 20 0 FGADHM C[C@H]1SCCN(C(=O)c2cc(-c3nnn[n-]3)cs2)[C@H]1c1ccccc1 ZINC000820818955 606514019 /nfs/dbraw/zinc/51/40/19/606514019.db2.gz CZEJNMFRZQHRSL-IAQYHMDHSA-N -1 3 371.491 3.247 20 0 FGADHM C[C@H]1SCCN(C(=O)c2cc(-c3nn[n-]n3)cs2)[C@H]1c1ccccc1 ZINC000820818955 606514020 /nfs/dbraw/zinc/51/40/20/606514020.db2.gz CZEJNMFRZQHRSL-IAQYHMDHSA-N -1 3 371.491 3.247 20 0 FGADHM O=C(N[C@@H]1CCC[C@@H]1Cc1ccccc1)c1cc(-c2nnn[n-]2)cs1 ZINC000823149849 606515183 /nfs/dbraw/zinc/51/51/83/606515183.db2.gz ICJNLSVZTWHMHY-UKRRQHHQSA-N -1 3 353.451 3.069 20 0 FGADHM O=C(N[C@@H]1CCC[C@@H]1Cc1ccccc1)c1cc(-c2nn[n-]n2)cs1 ZINC000823149849 606515184 /nfs/dbraw/zinc/51/51/84/606515184.db2.gz ICJNLSVZTWHMHY-UKRRQHHQSA-N -1 3 353.451 3.069 20 0 FGADHM CC1CCN(c2cccc(NC(=O)c3cc(-c4nnn[n-]4)cs3)c2)CC1 ZINC000820728447 606515783 /nfs/dbraw/zinc/51/57/83/606515783.db2.gz VWRKVXOZHXBDLJ-UHFFFAOYSA-N -1 3 368.466 3.417 20 0 FGADHM CC1CCN(c2cccc(NC(=O)c3cc(-c4nn[n-]n4)cs3)c2)CC1 ZINC000820728447 606515784 /nfs/dbraw/zinc/51/57/84/606515784.db2.gz VWRKVXOZHXBDLJ-UHFFFAOYSA-N -1 3 368.466 3.417 20 0 FGADHM O=C(Nc1ccc(F)cc1OCC1CC1)c1cc(-c2nnn[n-]2)cs1 ZINC000823345665 606516988 /nfs/dbraw/zinc/51/69/88/606516988.db2.gz BGCMNPZAQAIERS-UHFFFAOYSA-N -1 3 359.386 3.108 20 0 FGADHM O=C(Nc1ccc(F)cc1OCC1CC1)c1cc(-c2nn[n-]n2)cs1 ZINC000823345665 606516990 /nfs/dbraw/zinc/51/69/90/606516990.db2.gz BGCMNPZAQAIERS-UHFFFAOYSA-N -1 3 359.386 3.108 20 0 FGADHM C[C@@H](NC(=O)C/C=C/c1cccc(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820323846 606522665 /nfs/dbraw/zinc/52/26/65/606522665.db2.gz ZOYHJJWLEMMWKL-MASHWEEQSA-N -1 3 351.385 3.287 20 0 FGADHM C[C@@H](NC(=O)C/C=C/c1cccc(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820323846 606522666 /nfs/dbraw/zinc/52/26/66/606522666.db2.gz ZOYHJJWLEMMWKL-MASHWEEQSA-N -1 3 351.385 3.287 20 0 FGADHM O=C(c1cc(-c2nnn[n-]2)cs1)N1CCC[C@@H](c2ccccc2)CC1 ZINC000823472778 606540977 /nfs/dbraw/zinc/54/09/77/606540977.db2.gz YIYXTHRXSQBZTP-CQSZACIVSA-N -1 3 353.451 3.338 20 0 FGADHM O=C(c1cc(-c2nn[n-]n2)cs1)N1CCC[C@@H](c2ccccc2)CC1 ZINC000823472778 606540979 /nfs/dbraw/zinc/54/09/79/606540979.db2.gz YIYXTHRXSQBZTP-CQSZACIVSA-N -1 3 353.451 3.338 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1cccc(SC(F)F)c1 ZINC000823108668 606547862 /nfs/dbraw/zinc/54/78/62/606547862.db2.gz PBTFVENXVPKURE-UHFFFAOYSA-N -1 3 361.377 3.363 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1cccc(SC(F)F)c1 ZINC000823108668 606547864 /nfs/dbraw/zinc/54/78/64/606547864.db2.gz PBTFVENXVPKURE-UHFFFAOYSA-N -1 3 361.377 3.363 20 0 FGADHM CC[C@H](Cc1ccc(Cl)cc1)NC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820912974 606565209 /nfs/dbraw/zinc/56/52/09/606565209.db2.gz AWGKCWQXVONPLX-QGZVFWFLSA-N -1 3 369.856 3.200 20 0 FGADHM CC[C@H](Cc1ccc(Cl)cc1)NC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820912974 606565212 /nfs/dbraw/zinc/56/52/12/606565212.db2.gz AWGKCWQXVONPLX-QGZVFWFLSA-N -1 3 369.856 3.200 20 0 FGADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1F)C1(Cc2ccccc2)CC1 ZINC000823418358 606571333 /nfs/dbraw/zinc/57/13/33/606571333.db2.gz QDAWKYCLVWIXDS-UHFFFAOYSA-N -1 3 352.369 3.072 20 0 FGADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1F)C1(Cc2ccccc2)CC1 ZINC000823418358 606571335 /nfs/dbraw/zinc/57/13/35/606571335.db2.gz QDAWKYCLVWIXDS-UHFFFAOYSA-N -1 3 352.369 3.072 20 0 FGADHM CC(C)(C)C(=O)c1ccc(NC(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000819898490 606583270 /nfs/dbraw/zinc/58/32/70/606583270.db2.gz HJSVGMFNOISAFU-UHFFFAOYSA-N -1 3 363.421 3.277 20 0 FGADHM CC(C)(C)C(=O)c1ccc(NC(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000819898490 606583271 /nfs/dbraw/zinc/58/32/71/606583271.db2.gz HJSVGMFNOISAFU-UHFFFAOYSA-N -1 3 363.421 3.277 20 0 FGADHM Cc1cc(C)cc(-c2cc(NC(=O)c3cc(-c4nnn[n-]4)cs3)n[nH]2)c1 ZINC000822196835 606583783 /nfs/dbraw/zinc/58/37/83/606583783.db2.gz YGBGIMNNWDZEAX-UHFFFAOYSA-N -1 3 365.422 3.187 20 0 FGADHM Cc1cc(C)cc(-c2cc(NC(=O)c3cc(-c4nn[n-]n4)cs3)n[nH]2)c1 ZINC000822196835 606583785 /nfs/dbraw/zinc/58/37/85/606583785.db2.gz YGBGIMNNWDZEAX-UHFFFAOYSA-N -1 3 365.422 3.187 20 0 FGADHM O=C1CCc2c1cccc2OCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000823530978 606589807 /nfs/dbraw/zinc/58/98/07/606589807.db2.gz WJQQTGZXAPTCOM-UHFFFAOYSA-N -1 3 372.331 3.176 20 0 FGADHM O=C1CCc2c1cccc2OCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000823530978 606589808 /nfs/dbraw/zinc/58/98/08/606589808.db2.gz WJQQTGZXAPTCOM-UHFFFAOYSA-N -1 3 372.331 3.176 20 0 FGADHM CC(C)C[C@H](C)CC(=O)NC1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000820057334 606592805 /nfs/dbraw/zinc/59/28/05/606592805.db2.gz YMRMNVAGKJCQDA-HNNXBMFYSA-N -1 3 370.501 3.024 20 0 FGADHM CC(C)C[C@H](C)CC(=O)NC1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000820057334 606592808 /nfs/dbraw/zinc/59/28/08/606592808.db2.gz YMRMNVAGKJCQDA-HNNXBMFYSA-N -1 3 370.501 3.024 20 0 FGADHM COc1cccc([C@@H](C)CC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC)c1 ZINC000821858935 606602657 /nfs/dbraw/zinc/60/26/57/606602657.db2.gz IUNLHQBUTJZRPZ-LBPRGKRZSA-N -1 3 367.409 3.016 20 0 FGADHM COc1cccc([C@@H](C)CC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC)c1 ZINC000821858935 606602659 /nfs/dbraw/zinc/60/26/59/606602659.db2.gz IUNLHQBUTJZRPZ-LBPRGKRZSA-N -1 3 367.409 3.016 20 0 FGADHM COc1cccc([C@@H](C)CC(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821857736 606602744 /nfs/dbraw/zinc/60/27/44/606602744.db2.gz ABZINDKAMMGUPF-AWEZNQCLSA-N -1 3 365.437 3.028 20 0 FGADHM COc1cccc([C@@H](C)CC(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821857736 606602746 /nfs/dbraw/zinc/60/27/46/606602746.db2.gz ABZINDKAMMGUPF-AWEZNQCLSA-N -1 3 365.437 3.028 20 0 FGADHM COc1cccc([C@@H](C)CC(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000821860106 606602827 /nfs/dbraw/zinc/60/28/27/606602827.db2.gz XAQDNFDEMRFVCL-LBPRGKRZSA-N -1 3 369.400 3.171 20 0 FGADHM COc1cccc([C@@H](C)CC(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000821860106 606602828 /nfs/dbraw/zinc/60/28/28/606602828.db2.gz XAQDNFDEMRFVCL-LBPRGKRZSA-N -1 3 369.400 3.171 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1cnccc1-c1cccc(F)c1 ZINC000823108754 606607277 /nfs/dbraw/zinc/60/72/77/606607277.db2.gz RNFCFCCXCLTCLM-UHFFFAOYSA-N -1 3 374.379 3.249 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1cnccc1-c1cccc(F)c1 ZINC000823108754 606607279 /nfs/dbraw/zinc/60/72/79/606607279.db2.gz RNFCFCCXCLTCLM-UHFFFAOYSA-N -1 3 374.379 3.249 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N[C@H](C1CCCCC1)C(F)(F)F ZINC000823308821 606613291 /nfs/dbraw/zinc/61/32/91/606613291.db2.gz KHHYAGXCPPGRNO-CYBMUJFWSA-N -1 3 368.363 3.499 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N[C@H](C1CCCCC1)C(F)(F)F ZINC000823308821 606613293 /nfs/dbraw/zinc/61/32/93/606613293.db2.gz KHHYAGXCPPGRNO-CYBMUJFWSA-N -1 3 368.363 3.499 20 0 FGADHM S=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N[C@@H]1CCCc2[nH]ccc21 ZINC000823731975 606627426 /nfs/dbraw/zinc/62/74/26/606627426.db2.gz HTOPXSDFKGGZJV-CQSZACIVSA-N -1 3 373.873 3.212 20 0 FGADHM S=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N[C@@H]1CCCc2[nH]ccc21 ZINC000823731975 606627428 /nfs/dbraw/zinc/62/74/28/606627428.db2.gz HTOPXSDFKGGZJV-CQSZACIVSA-N -1 3 373.873 3.212 20 0 FGADHM O=C(CSc1cccc(F)c1)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000823070534 606627765 /nfs/dbraw/zinc/62/77/65/606627765.db2.gz CYTGWKOVBHMDPZ-UHFFFAOYSA-N -1 3 363.805 3.390 20 0 FGADHM O=C(CSc1cccc(F)c1)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000823070534 606627767 /nfs/dbraw/zinc/62/77/67/606627767.db2.gz CYTGWKOVBHMDPZ-UHFFFAOYSA-N -1 3 363.805 3.390 20 0 FGADHM C[C@H](Sc1ccncc1)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820555574 606628537 /nfs/dbraw/zinc/62/85/37/606628537.db2.gz MXVIPQMAUWAZGK-VIFPVBQESA-N -1 3 360.830 3.034 20 0 FGADHM C[C@H](Sc1ccncc1)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820555574 606628539 /nfs/dbraw/zinc/62/85/39/606628539.db2.gz MXVIPQMAUWAZGK-VIFPVBQESA-N -1 3 360.830 3.034 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N([C@H](C)c1ccco1)C1CC1 ZINC000821755627 606658413 /nfs/dbraw/zinc/65/84/13/606658413.db2.gz IKEKLWSSNWTACA-LLVKDONJSA-N -1 3 368.397 3.226 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N([C@H](C)c1ccco1)C1CC1 ZINC000821755627 606658414 /nfs/dbraw/zinc/65/84/14/606658414.db2.gz IKEKLWSSNWTACA-LLVKDONJSA-N -1 3 368.397 3.226 20 0 FGADHM O=C(Nc1ccc(F)cc1Cl)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823347444 606664308 /nfs/dbraw/zinc/66/43/08/606664308.db2.gz YIARRGISZMNDPU-UHFFFAOYSA-N -1 3 353.691 3.190 20 0 FGADHM O=C(Nc1ccc(F)cc1Cl)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823347444 606664309 /nfs/dbraw/zinc/66/43/09/606664309.db2.gz YIARRGISZMNDPU-UHFFFAOYSA-N -1 3 353.691 3.190 20 0 FGADHM CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000819908247 606669223 /nfs/dbraw/zinc/66/92/23/606669223.db2.gz YELKYAZMEHQRJJ-RISCZKNCSA-N -1 3 363.412 3.480 20 0 FGADHM CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000819908247 606669224 /nfs/dbraw/zinc/66/92/24/606669224.db2.gz YELKYAZMEHQRJJ-RISCZKNCSA-N -1 3 363.412 3.480 20 0 FGADHM COC[C@@H](C)CC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000821681331 606672762 /nfs/dbraw/zinc/67/27/62/606672762.db2.gz HWCQYQLORMWUQE-ZDUSSCGKSA-N -1 3 367.409 3.270 20 0 FGADHM COC[C@@H](C)CC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000821681331 606672763 /nfs/dbraw/zinc/67/27/63/606672763.db2.gz HWCQYQLORMWUQE-ZDUSSCGKSA-N -1 3 367.409 3.270 20 0 FGADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)[C@H]2C[C@H]2Cc2ccccc2)s1 ZINC000821465833 606674180 /nfs/dbraw/zinc/67/41/80/606674180.db2.gz RBOOVEJVXUDZEV-OCCSQVGLSA-N -1 3 353.451 3.308 20 0 FGADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)[C@H]2C[C@H]2Cc2ccccc2)s1 ZINC000821465833 606674181 /nfs/dbraw/zinc/67/41/81/606674181.db2.gz RBOOVEJVXUDZEV-OCCSQVGLSA-N -1 3 353.451 3.308 20 0 FGADHM CC1(C)CN(C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)[C@@H]1c1ccccc1 ZINC000820601417 606674265 /nfs/dbraw/zinc/67/42/65/606674265.db2.gz KKVAEGQLFOQFHO-MRXNPFEDSA-N -1 3 369.375 3.368 20 0 FGADHM CC1(C)CN(C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)[C@@H]1c1ccccc1 ZINC000820601417 606674266 /nfs/dbraw/zinc/67/42/66/606674266.db2.gz KKVAEGQLFOQFHO-MRXNPFEDSA-N -1 3 369.375 3.368 20 0 FGADHM CCOc1cc(NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)ccc1C ZINC000821400355 606676669 /nfs/dbraw/zinc/67/66/69/606676669.db2.gz IAYMGGDEPNRQNK-UHFFFAOYSA-N -1 3 359.336 3.104 20 0 FGADHM CCOc1cc(NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)ccc1C ZINC000821400355 606676670 /nfs/dbraw/zinc/67/66/70/606676670.db2.gz IAYMGGDEPNRQNK-UHFFFAOYSA-N -1 3 359.336 3.104 20 0 FGADHM CCc1noc(CC)c1CC(=O)Nc1sc(C)c(CC)c1-c1nnn[n-]1 ZINC000821559283 606676868 /nfs/dbraw/zinc/67/68/68/606676868.db2.gz ZOBHWHOUICOVTQ-UHFFFAOYSA-N -1 3 374.470 3.093 20 0 FGADHM CCc1noc(CC)c1CC(=O)Nc1sc(C)c(CC)c1-c1nn[n-]n1 ZINC000821559283 606676869 /nfs/dbraw/zinc/67/68/69/606676869.db2.gz ZOBHWHOUICOVTQ-UHFFFAOYSA-N -1 3 374.470 3.093 20 0 FGADHM CC(C)(CNC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)Cc1ccccc1 ZINC000819981065 606679786 /nfs/dbraw/zinc/67/97/86/606679786.db2.gz LZBSADCGXOHDPH-UHFFFAOYSA-N -1 3 371.391 3.144 20 0 FGADHM CC(C)(CNC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)Cc1ccccc1 ZINC000819981065 606679787 /nfs/dbraw/zinc/67/97/87/606679787.db2.gz LZBSADCGXOHDPH-UHFFFAOYSA-N -1 3 371.391 3.144 20 0 FGADHM CC(C)CC1(CNC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)CCCC1 ZINC000820062178 606687824 /nfs/dbraw/zinc/68/78/24/606687824.db2.gz ITEIBZJSLCPUIF-UHFFFAOYSA-N -1 3 363.412 3.481 20 0 FGADHM CC(C)CC1(CNC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CCCC1 ZINC000820062178 606687825 /nfs/dbraw/zinc/68/78/25/606687825.db2.gz ITEIBZJSLCPUIF-UHFFFAOYSA-N -1 3 363.412 3.481 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CC[C@@H](c2ccc(F)cc2)C1 ZINC000822217628 606696744 /nfs/dbraw/zinc/69/67/44/606696744.db2.gz KAWYTCYKWBADMX-OAHLLOKOSA-N -1 3 366.400 3.336 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CC[C@@H](c2ccc(F)cc2)C1 ZINC000822217628 606696745 /nfs/dbraw/zinc/69/67/45/606696745.db2.gz KAWYTCYKWBADMX-OAHLLOKOSA-N -1 3 366.400 3.336 20 0 FGADHM CCC[C@@H](C)c1cc(NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)n[nH]1 ZINC000821014210 606697109 /nfs/dbraw/zinc/69/71/09/606697109.db2.gz BVGZHYFXOSMBQD-MRVPVSSYSA-N -1 3 361.356 3.024 20 0 FGADHM CCC[C@@H](C)c1cc(NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)n[nH]1 ZINC000821014210 606697110 /nfs/dbraw/zinc/69/71/10/606697110.db2.gz BVGZHYFXOSMBQD-MRVPVSSYSA-N -1 3 361.356 3.024 20 0 FGADHM O=C1[C@@H](Sc2ccc(-c3nnn[n-]3)cc2)CCN1c1c(F)cccc1F ZINC000823513662 606704759 /nfs/dbraw/zinc/70/47/59/606704759.db2.gz WGHKPOTXOGCDDT-AWEZNQCLSA-N -1 3 373.388 3.043 20 0 FGADHM O=C1[C@@H](Sc2ccc(-c3nn[n-]n3)cc2)CCN1c1c(F)cccc1F ZINC000823513662 606704760 /nfs/dbraw/zinc/70/47/60/606704760.db2.gz WGHKPOTXOGCDDT-AWEZNQCLSA-N -1 3 373.388 3.043 20 0 FGADHM FC(F)(F)c1ccc(N[C@@H]2CCC[C@@H]3OCC[C@H]32)c(-c2nnn[n-]2)c1 ZINC000822723614 606727710 /nfs/dbraw/zinc/72/77/10/606727710.db2.gz HUFKTTWGHROWRL-SUHUHFCYSA-N -1 3 353.348 3.255 20 0 FGADHM FC(F)(F)c1ccc(N[C@@H]2CCC[C@@H]3OCC[C@H]32)c(-c2nn[n-]n2)c1 ZINC000822723614 606727711 /nfs/dbraw/zinc/72/77/11/606727711.db2.gz HUFKTTWGHROWRL-SUHUHFCYSA-N -1 3 353.348 3.255 20 0 FGADHM C[C@@H](Nc1ccc(Cl)cc1-c1nnn[n-]1)c1cn(-c2ccccc2)nn1 ZINC000820456139 606728746 /nfs/dbraw/zinc/72/87/46/606728746.db2.gz QKCNPNJRRFQBRE-LLVKDONJSA-N -1 3 366.816 3.274 20 0 FGADHM C[C@@H](Nc1ccc(Cl)cc1-c1nn[n-]n1)c1cn(-c2ccccc2)nn1 ZINC000820456139 606728748 /nfs/dbraw/zinc/72/87/48/606728748.db2.gz QKCNPNJRRFQBRE-LLVKDONJSA-N -1 3 366.816 3.274 20 0 FGADHM C[C@]1(c2ccccc2)CCN(c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)C1 ZINC000820635748 606728915 /nfs/dbraw/zinc/72/89/15/606728915.db2.gz MUKLCEYCYDYMKM-KRWDZBQOSA-N -1 3 374.370 3.449 20 0 FGADHM C[C@]1(c2ccccc2)CCN(c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)C1 ZINC000820635748 606728916 /nfs/dbraw/zinc/72/89/16/606728916.db2.gz MUKLCEYCYDYMKM-KRWDZBQOSA-N -1 3 374.370 3.449 20 0 FGADHM CCC(CC)(CC)C(=O)NC1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000820882595 606739118 /nfs/dbraw/zinc/73/91/18/606739118.db2.gz UYNZRPRFKSFKSB-UHFFFAOYSA-N -1 3 370.501 3.168 20 0 FGADHM CCC(CC)(CC)C(=O)NC1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000820882595 606739120 /nfs/dbraw/zinc/73/91/20/606739120.db2.gz UYNZRPRFKSFKSB-UHFFFAOYSA-N -1 3 370.501 3.168 20 0 FGADHM CC[C@@H](OC1CCCCC1)C(=O)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000820939321 606768014 /nfs/dbraw/zinc/76/80/14/606768014.db2.gz SZIHNCZUYINRKS-MRXNPFEDSA-N -1 3 362.405 3.177 20 0 FGADHM CC[C@@H](OC1CCCCC1)C(=O)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000820939321 606768015 /nfs/dbraw/zinc/76/80/15/606768015.db2.gz SZIHNCZUYINRKS-MRXNPFEDSA-N -1 3 362.405 3.177 20 0 FGADHM COc1c(F)cc(F)cc1NC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821698640 606772061 /nfs/dbraw/zinc/77/20/61/606772061.db2.gz SHBMCBBFJOXGPY-VIFPVBQESA-N -1 3 374.351 3.036 20 0 FGADHM COc1c(F)cc(F)cc1NC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821698640 606772062 /nfs/dbraw/zinc/77/20/62/606772062.db2.gz SHBMCBBFJOXGPY-VIFPVBQESA-N -1 3 374.351 3.036 20 0 FGADHM CC[C@H]1CC[C@H](C(=O)Oc2ccc(-c3ccc(-c4nnn[n-]4)cc3)cc2)O1 ZINC000820971571 606775647 /nfs/dbraw/zinc/77/56/47/606775647.db2.gz DFYRKWOUDJBYLM-FUHWJXTLSA-N -1 3 364.405 3.397 20 0 FGADHM CC[C@H]1CC[C@H](C(=O)Oc2ccc(-c3ccc(-c4nn[n-]n4)cc3)cc2)O1 ZINC000820971571 606775648 /nfs/dbraw/zinc/77/56/48/606775648.db2.gz DFYRKWOUDJBYLM-FUHWJXTLSA-N -1 3 364.405 3.397 20 0 FGADHM COC(=O)c1ccc(CSc2ccc(-c3nnn[n-]3)cc2F)cc1F ZINC000821669613 606795145 /nfs/dbraw/zinc/79/51/45/606795145.db2.gz UNJJZBAVSNXVIA-UHFFFAOYSA-N -1 3 362.361 3.224 20 0 FGADHM COC(=O)c1ccc(CSc2ccc(-c3nn[n-]n3)cc2F)cc1F ZINC000821669613 606795147 /nfs/dbraw/zinc/79/51/47/606795147.db2.gz UNJJZBAVSNXVIA-UHFFFAOYSA-N -1 3 362.361 3.224 20 0 FGADHM O=C(Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)[C@@H]1CCSC1 ZINC000823367962 606804039 /nfs/dbraw/zinc/80/40/39/606804039.db2.gz PFMGUMSZDQTSCN-CYBMUJFWSA-N -1 3 367.434 3.351 20 0 FGADHM O=C(Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)[C@@H]1CCSC1 ZINC000823367962 606804040 /nfs/dbraw/zinc/80/40/40/606804040.db2.gz PFMGUMSZDQTSCN-CYBMUJFWSA-N -1 3 367.434 3.351 20 0 FGADHM CCCCc1noc(CSCCCOc2cccc(-c3nnn[n-]3)c2)n1 ZINC000821081808 606840520 /nfs/dbraw/zinc/84/05/20/606840520.db2.gz AJFBNXFVMJMOHT-UHFFFAOYSA-N -1 3 374.470 3.295 20 0 FGADHM CCCCc1noc(CSCCCOc2cccc(-c3nn[n-]n3)c2)n1 ZINC000821081808 606840522 /nfs/dbraw/zinc/84/05/22/606840522.db2.gz AJFBNXFVMJMOHT-UHFFFAOYSA-N -1 3 374.470 3.295 20 0 FGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1Cl)Nc1cccc(F)c1 ZINC000823065875 606852009 /nfs/dbraw/zinc/85/20/09/606852009.db2.gz DGNFBBSWPIFHRJ-UHFFFAOYSA-N -1 3 363.805 3.390 20 0 FGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1Cl)Nc1cccc(F)c1 ZINC000823065875 606852011 /nfs/dbraw/zinc/85/20/11/606852011.db2.gz DGNFBBSWPIFHRJ-UHFFFAOYSA-N -1 3 363.805 3.390 20 0 FGADHM C[C@H](NC(=O)C1(Cc2ccccc2)CCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820321490 606867583 /nfs/dbraw/zinc/86/75/83/606867583.db2.gz HHCNJHAGUISDGH-HNNXBMFYSA-N -1 3 361.449 3.457 20 0 FGADHM C[C@H](NC(=O)C1(Cc2ccccc2)CCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820321490 606867584 /nfs/dbraw/zinc/86/75/84/606867584.db2.gz HHCNJHAGUISDGH-HNNXBMFYSA-N -1 3 361.449 3.457 20 0 FGADHM CCC[C@H]1CCCN(C(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)C1 ZINC000821040674 606872824 /nfs/dbraw/zinc/87/28/24/606872824.db2.gz PCCLWUWAWZOYAU-INIZCTEOSA-N -1 3 371.485 3.455 20 0 FGADHM CCC[C@H]1CCCN(C(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)C1 ZINC000821040674 606872826 /nfs/dbraw/zinc/87/28/26/606872826.db2.gz PCCLWUWAWZOYAU-INIZCTEOSA-N -1 3 371.485 3.455 20 0 FGADHM Fc1ccc(Cl)c2c1ncc(-c1nnn[n-]1)c2N[C@@H]1CCC(F)(F)C1 ZINC000822774582 606882026 /nfs/dbraw/zinc/88/20/26/606882026.db2.gz MSSSWJMRGROSRB-SSDOTTSWSA-N -1 3 368.750 3.229 20 0 FGADHM Fc1ccc(Cl)c2c1ncc(-c1nn[n-]n1)c2N[C@@H]1CCC(F)(F)C1 ZINC000822774582 606882027 /nfs/dbraw/zinc/88/20/27/606882027.db2.gz MSSSWJMRGROSRB-SSDOTTSWSA-N -1 3 368.750 3.229 20 0 FGADHM CCc1nnc(N[C@@H]2CCc3c2cccc3F)c(-c2nnn[n-]2)c1CC ZINC000821529312 606924024 /nfs/dbraw/zinc/92/40/24/606924024.db2.gz WISWCHVITRPODE-OAHLLOKOSA-N -1 3 353.405 3.020 20 0 FGADHM CCc1nnc(N[C@@H]2CCc3c2cccc3F)c(-c2nn[n-]n2)c1CC ZINC000821529312 606924025 /nfs/dbraw/zinc/92/40/25/606924025.db2.gz WISWCHVITRPODE-OAHLLOKOSA-N -1 3 353.405 3.020 20 0 FGADHM CCc1nnc(N2CCC[C@@]3(CC=CCC3)C2)c(-c2nnn[n-]2)c1CC ZINC000821523262 606935588 /nfs/dbraw/zinc/93/55/88/606935588.db2.gz SQLWCPXRPBJWBV-IBGZPJMESA-N -1 3 353.474 3.108 20 0 FGADHM CCc1nnc(N2CCC[C@@]3(CC=CCC3)C2)c(-c2nn[n-]n2)c1CC ZINC000821523262 606935589 /nfs/dbraw/zinc/93/55/89/606935589.db2.gz SQLWCPXRPBJWBV-IBGZPJMESA-N -1 3 353.474 3.108 20 0 FGADHM CC(C)c1ccc(N(C)C(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000820536640 606936097 /nfs/dbraw/zinc/93/60/97/606936097.db2.gz VZNWNAOVVSVCGX-AWEZNQCLSA-N -1 3 365.437 3.420 20 0 FGADHM CC(C)c1ccc(N(C)C(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000820536640 606936098 /nfs/dbraw/zinc/93/60/98/606936098.db2.gz VZNWNAOVVSVCGX-AWEZNQCLSA-N -1 3 365.437 3.420 20 0 FGADHM C[C@](O)(CNc1ccc(C(F)(F)F)cc1-c1nnn[n-]1)c1cccs1 ZINC000820467488 606938197 /nfs/dbraw/zinc/93/81/97/606938197.db2.gz IHWFCSAHIMOFGW-AWEZNQCLSA-N -1 3 369.372 3.267 20 0 FGADHM C[C@](O)(CNc1ccc(C(F)(F)F)cc1-c1nn[n-]n1)c1cccs1 ZINC000820467488 606938199 /nfs/dbraw/zinc/93/81/99/606938199.db2.gz IHWFCSAHIMOFGW-AWEZNQCLSA-N -1 3 369.372 3.267 20 0 FGADHM CC(C)(C(=O)OCCCOc1cccc(-c2nnn[n-]2)c1)c1cccs1 ZINC000819891902 606949731 /nfs/dbraw/zinc/94/97/31/606949731.db2.gz KOIGDBMZHDHCGL-UHFFFAOYSA-N -1 3 372.450 3.218 20 0 FGADHM CC(C)(C(=O)OCCCOc1cccc(-c2nn[n-]n2)c1)c1cccs1 ZINC000819891902 606949733 /nfs/dbraw/zinc/94/97/33/606949733.db2.gz KOIGDBMZHDHCGL-UHFFFAOYSA-N -1 3 372.450 3.218 20 0 FGADHM COc1cc(F)c(NC(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1F ZINC000821720179 606956412 /nfs/dbraw/zinc/95/64/12/606956412.db2.gz OKQHWPFKLVWJBD-VIFPVBQESA-N -1 3 374.351 3.036 20 0 FGADHM COc1cc(F)c(NC(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000821720179 606956414 /nfs/dbraw/zinc/95/64/14/606956414.db2.gz OKQHWPFKLVWJBD-VIFPVBQESA-N -1 3 374.351 3.036 20 0 FGADHM CCOCCC1(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CCCC1 ZINC000821373758 606957316 /nfs/dbraw/zinc/95/73/16/606957316.db2.gz LYYBIBYQUZMYRO-UHFFFAOYSA-N -1 3 363.849 3.446 20 0 FGADHM CCOCCC1(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CCCC1 ZINC000821373758 606957318 /nfs/dbraw/zinc/95/73/18/606957318.db2.gz LYYBIBYQUZMYRO-UHFFFAOYSA-N -1 3 363.849 3.446 20 0 FGADHM CS/C=C/C(=O)Oc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821956571 606959627 /nfs/dbraw/zinc/95/96/27/606959627.db2.gz RRBFTHJKZODADU-ZHACJKMWSA-N -1 3 354.391 3.441 20 0 FGADHM CS/C=C/C(=O)Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821956571 606959629 /nfs/dbraw/zinc/95/96/29/606959629.db2.gz RRBFTHJKZODADU-ZHACJKMWSA-N -1 3 354.391 3.441 20 0 FGADHM CN(C(=O)Cc1cc2ccccc2o1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821571086 606965035 /nfs/dbraw/zinc/96/50/35/606965035.db2.gz ZIEGQRXBSDJGIL-UHFFFAOYSA-N -1 3 367.796 3.472 20 0 FGADHM CN(C(=O)Cc1cc2ccccc2o1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821571086 606965037 /nfs/dbraw/zinc/96/50/37/606965037.db2.gz ZIEGQRXBSDJGIL-UHFFFAOYSA-N -1 3 367.796 3.472 20 0 FGADHM CN(C(=O)C=Cc1nc2ccccc2s1)c1ccccc1-c1nnn[n-]1 ZINC000821569590 606973072 /nfs/dbraw/zinc/97/30/72/606973072.db2.gz OXYSDHDZOILBIZ-KHPPLWFESA-N -1 3 362.418 3.153 20 0 FGADHM CN(C(=O)C=Cc1nc2ccccc2s1)c1ccccc1-c1nn[n-]n1 ZINC000821569590 606973073 /nfs/dbraw/zinc/97/30/73/606973073.db2.gz OXYSDHDZOILBIZ-KHPPLWFESA-N -1 3 362.418 3.153 20 0 FGADHM Cc1ccccc1[C@H](C)NC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000822345419 606983004 /nfs/dbraw/zinc/98/30/04/606983004.db2.gz IQZJQBJKDXEVCY-AWEZNQCLSA-N -1 3 365.437 3.210 20 0 FGADHM Cc1ccccc1[C@H](C)NC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000822345419 606983006 /nfs/dbraw/zinc/98/30/06/606983006.db2.gz IQZJQBJKDXEVCY-AWEZNQCLSA-N -1 3 365.437 3.210 20 0 FGADHM CCn1c(SCc2cccc(-c3nnn[n-]3)c2)nnc1-c1cccs1 ZINC000821565519 606998182 /nfs/dbraw/zinc/99/81/82/606998182.db2.gz WMQVOMVRJKEBMC-UHFFFAOYSA-N -1 3 369.479 3.499 20 0 FGADHM CCn1c(SCc2cccc(-c3nn[n-]n3)c2)nnc1-c1cccs1 ZINC000821565519 606998183 /nfs/dbraw/zinc/99/81/83/606998183.db2.gz WMQVOMVRJKEBMC-UHFFFAOYSA-N -1 3 369.479 3.499 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1OCC1CC1 ZINC000823426197 606999854 /nfs/dbraw/zinc/99/98/54/606999854.db2.gz CKUCPBWEQSMQBS-UHFFFAOYSA-N -1 3 368.368 3.152 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1OCC1CC1 ZINC000823426197 606999856 /nfs/dbraw/zinc/99/98/56/606999856.db2.gz CKUCPBWEQSMQBS-UHFFFAOYSA-N -1 3 368.368 3.152 20 0 FGADHM CCN(C(=O)Cc1nc(C)sc1C)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821153828 607000985 /nfs/dbraw/zinc/00/09/85/607000985.db2.gz DUDHEWAGBSKQEQ-LLVKDONJSA-N -1 3 370.482 3.092 20 0 FGADHM CCN(C(=O)Cc1nc(C)sc1C)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821153828 607000987 /nfs/dbraw/zinc/00/09/87/607000987.db2.gz DUDHEWAGBSKQEQ-LLVKDONJSA-N -1 3 370.482 3.092 20 0 FGADHM Fc1ccc(COc2ccc(Br)cc2F)cc1-c1nnn[n-]1 ZINC000822748191 607007617 /nfs/dbraw/zinc/00/76/17/607007617.db2.gz MKLUOTDIUYTSHO-UHFFFAOYSA-N -1 3 367.153 3.486 20 0 FGADHM Fc1ccc(COc2ccc(Br)cc2F)cc1-c1nn[n-]n1 ZINC000822748191 607007618 /nfs/dbraw/zinc/00/76/18/607007618.db2.gz MKLUOTDIUYTSHO-UHFFFAOYSA-N -1 3 367.153 3.486 20 0 FGADHM O=C(Cc1ccco1)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000823115480 607009632 /nfs/dbraw/zinc/00/96/32/607009632.db2.gz OXOBIGLKUBRBLB-UHFFFAOYSA-N -1 3 361.361 3.433 20 0 FGADHM O=C(Cc1ccco1)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000823115480 607009634 /nfs/dbraw/zinc/00/96/34/607009634.db2.gz OXOBIGLKUBRBLB-UHFFFAOYSA-N -1 3 361.361 3.433 20 0 FGADHM Cc1nc(NC(=O)[C@H](C)Sc2cccc(-c3nnn[n-]3)c2)sc1C ZINC000822449979 607012340 /nfs/dbraw/zinc/01/23/40/607012340.db2.gz XNVSMPFQENCRCE-JTQLQIEISA-N -1 3 360.468 3.059 20 0 FGADHM Cc1nc(NC(=O)[C@H](C)Sc2cccc(-c3nn[n-]n3)c2)sc1C ZINC000822449979 607012341 /nfs/dbraw/zinc/01/23/41/607012341.db2.gz XNVSMPFQENCRCE-JTQLQIEISA-N -1 3 360.468 3.059 20 0 FGADHM CC(C)[C@H](NC(=O)CSc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000820025960 607012835 /nfs/dbraw/zinc/01/28/35/607012835.db2.gz FWOHUTOATFUNQW-SFHVURJKSA-N -1 3 367.478 3.472 20 0 FGADHM CC(C)[C@H](NC(=O)CSc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000820025960 607012836 /nfs/dbraw/zinc/01/28/36/607012836.db2.gz FWOHUTOATFUNQW-SFHVURJKSA-N -1 3 367.478 3.472 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)COc1ccc2c(c1)CCCC2 ZINC000822217820 607017406 /nfs/dbraw/zinc/01/74/06/607017406.db2.gz OTMGERKGRJBUJD-UHFFFAOYSA-N -1 3 363.421 3.071 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)COc1ccc2c(c1)CCCC2 ZINC000822217820 607017407 /nfs/dbraw/zinc/01/74/07/607017407.db2.gz OTMGERKGRJBUJD-UHFFFAOYSA-N -1 3 363.421 3.071 20 0 FGADHM Cc1cc(NC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)ccc1F ZINC000822206961 607021544 /nfs/dbraw/zinc/02/15/44/607021544.db2.gz FZTYGYWOMNMQOF-UHFFFAOYSA-N -1 3 355.373 3.110 20 0 FGADHM Cc1cc(NC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)ccc1F ZINC000822206961 607021545 /nfs/dbraw/zinc/02/15/45/607021545.db2.gz FZTYGYWOMNMQOF-UHFFFAOYSA-N -1 3 355.373 3.110 20 0 FGADHM Cc1cn(CC(=O)Nc2ccccc2-c2ccccc2)cc1-c1nnn[n-]1 ZINC000822385181 607022541 /nfs/dbraw/zinc/02/25/41/607022541.db2.gz ZKTYPARIYMKDKG-UHFFFAOYSA-N -1 3 358.405 3.282 20 0 FGADHM Cc1cn(CC(=O)Nc2ccccc2-c2ccccc2)cc1-c1nn[n-]n1 ZINC000822385181 607022543 /nfs/dbraw/zinc/02/25/43/607022543.db2.gz ZKTYPARIYMKDKG-UHFFFAOYSA-N -1 3 358.405 3.282 20 0 FGADHM C[C@@H]1CC[C@H](CC(=O)NCCSCc2ccccc2-c2nnn[n-]2)C1 ZINC000820684878 607023167 /nfs/dbraw/zinc/02/31/67/607023167.db2.gz SQDPGOQLZCHDRN-KGLIPLIRSA-N -1 3 359.499 3.042 20 0 FGADHM C[C@@H]1CC[C@H](CC(=O)NCCSCc2ccccc2-c2nn[n-]n2)C1 ZINC000820684878 607023169 /nfs/dbraw/zinc/02/31/69/607023169.db2.gz SQDPGOQLZCHDRN-KGLIPLIRSA-N -1 3 359.499 3.042 20 0 FGADHM Brc1ccc(OCCOc2ccccc2)c(-c2nnn[n-]2)c1 ZINC000819688021 607030066 /nfs/dbraw/zinc/03/00/66/607030066.db2.gz BGGNCWMEXVDRFR-UHFFFAOYSA-N -1 3 361.199 3.087 20 0 FGADHM Brc1ccc(OCCOc2ccccc2)c(-c2nn[n-]n2)c1 ZINC000819688021 607030068 /nfs/dbraw/zinc/03/00/68/607030068.db2.gz BGGNCWMEXVDRFR-UHFFFAOYSA-N -1 3 361.199 3.087 20 0 FGADHM ClC1(Cl)C[C@@H]1COc1ccc(Br)cc1-c1nnn[n-]1 ZINC000822564322 607043179 /nfs/dbraw/zinc/04/31/79/607043179.db2.gz ZQLAOEUEXXZEFQ-ZCFIWIBFSA-N -1 3 364.030 3.202 20 0 FGADHM ClC1(Cl)C[C@@H]1COc1ccc(Br)cc1-c1nn[n-]n1 ZINC000822564322 607043180 /nfs/dbraw/zinc/04/31/80/607043180.db2.gz ZQLAOEUEXXZEFQ-ZCFIWIBFSA-N -1 3 364.030 3.202 20 0 FGADHM O[C@H](C[C@@H]1CCCCCN1c1cccc(F)c1-c1nnn[n-]1)c1ccco1 ZINC000823672105 607048125 /nfs/dbraw/zinc/04/81/25/607048125.db2.gz AMLPWTIPAUEGQD-XJKSGUPXSA-N -1 3 371.416 3.472 20 0 FGADHM O[C@H](C[C@@H]1CCCCCN1c1cccc(F)c1-c1nn[n-]n1)c1ccco1 ZINC000823672105 607048126 /nfs/dbraw/zinc/04/81/26/607048126.db2.gz AMLPWTIPAUEGQD-XJKSGUPXSA-N -1 3 371.416 3.472 20 0 FGADHM CC(C)C[C@@H]1CCCN(C(=O)CSc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820067173 607052355 /nfs/dbraw/zinc/05/23/55/607052355.db2.gz FIORCXGTSONYNF-AWEZNQCLSA-N -1 3 359.499 3.244 20 0 FGADHM CC(C)C[C@@H]1CCCN(C(=O)CSc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820067173 607052357 /nfs/dbraw/zinc/05/23/57/607052357.db2.gz FIORCXGTSONYNF-AWEZNQCLSA-N -1 3 359.499 3.244 20 0 FGADHM COc1ccc(CNC(=O)Nc2cc(-c3nnn[n-]3)ccc2C)cc1Cl ZINC000821798709 607066952 /nfs/dbraw/zinc/06/69/52/607066952.db2.gz KSCRINKMXGGUPA-UHFFFAOYSA-N -1 3 372.816 3.159 20 0 FGADHM COc1ccc(CNC(=O)Nc2cc(-c3nn[n-]n3)ccc2C)cc1Cl ZINC000821798709 607066954 /nfs/dbraw/zinc/06/69/54/607066954.db2.gz KSCRINKMXGGUPA-UHFFFAOYSA-N -1 3 372.816 3.159 20 0 FGADHM Cc1cc(C(=O)OCc2cc(F)ccc2-c2nnn[n-]2)c2ccccc2n1 ZINC000822184035 607072306 /nfs/dbraw/zinc/07/23/06/607072306.db2.gz NQQSVKSSMTWIGB-UHFFFAOYSA-N -1 3 363.352 3.219 20 0 FGADHM Cc1cc(C(=O)OCc2cc(F)ccc2-c2nn[n-]n2)c2ccccc2n1 ZINC000822184035 607072308 /nfs/dbraw/zinc/07/23/08/607072308.db2.gz NQQSVKSSMTWIGB-UHFFFAOYSA-N -1 3 363.352 3.219 20 0 FGADHM Cc1ccn(-c2ccccc2NC(=O)C=Cc2ccccc2-c2nnn[n-]2)n1 ZINC000822370244 607072347 /nfs/dbraw/zinc/07/23/47/607072347.db2.gz UPCNZUSUTZVEPT-KHPPLWFESA-N -1 3 371.404 3.013 20 0 FGADHM Cc1ccn(-c2ccccc2NC(=O)C=Cc2ccccc2-c2nn[n-]n2)n1 ZINC000822370244 607072349 /nfs/dbraw/zinc/07/23/49/607072349.db2.gz UPCNZUSUTZVEPT-KHPPLWFESA-N -1 3 371.404 3.013 20 0 FGADHM O=C(CCSc1ccccc1)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000822974372 607072864 /nfs/dbraw/zinc/07/28/64/607072864.db2.gz JFAMGCRXVUJSPO-UHFFFAOYSA-N -1 3 358.398 3.231 20 0 FGADHM O=C(CCSc1ccccc1)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000822974372 607072866 /nfs/dbraw/zinc/07/28/66/607072866.db2.gz JFAMGCRXVUJSPO-UHFFFAOYSA-N -1 3 358.398 3.231 20 0 FGADHM O=C(Cc1ccc2ccccc2c1)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000823087030 607075876 /nfs/dbraw/zinc/07/58/76/607075876.db2.gz CUNCTJQDTMAZAF-UHFFFAOYSA-N -1 3 362.364 3.445 20 0 FGADHM O=C(Cc1ccc2ccccc2c1)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000823087030 607075877 /nfs/dbraw/zinc/07/58/77/607075877.db2.gz CUNCTJQDTMAZAF-UHFFFAOYSA-N -1 3 362.364 3.445 20 0 FGADHM O=C(CCCOCc1ccccc1)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000822958830 607081335 /nfs/dbraw/zinc/08/13/35/607081335.db2.gz JCKFLTWHVKVVQH-UHFFFAOYSA-N -1 3 370.384 3.046 20 0 FGADHM O=C(CCCOCc1ccccc1)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000822958830 607081336 /nfs/dbraw/zinc/08/13/36/607081336.db2.gz JCKFLTWHVKVVQH-UHFFFAOYSA-N -1 3 370.384 3.046 20 0 FGADHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)O[C@H]1CCc2ccccc21 ZINC000820001485 607081940 /nfs/dbraw/zinc/08/19/40/607081940.db2.gz ORJWMBHIZKQYBT-KRWDZBQOSA-N -1 3 364.405 3.255 20 0 FGADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@H]1CCc2ccccc21 ZINC000820001485 607081942 /nfs/dbraw/zinc/08/19/42/607081942.db2.gz ORJWMBHIZKQYBT-KRWDZBQOSA-N -1 3 364.405 3.255 20 0 FGADHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)OCc1cccc(F)c1F ZINC000820005169 607117606 /nfs/dbraw/zinc/11/76/06/607117606.db2.gz LOWGPFIEBIYAEI-UHFFFAOYSA-N -1 3 374.347 3.046 20 0 FGADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OCc1cccc(F)c1F ZINC000820005169 607117607 /nfs/dbraw/zinc/11/76/07/607117607.db2.gz LOWGPFIEBIYAEI-UHFFFAOYSA-N -1 3 374.347 3.046 20 0 FGADHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(N(C)CCOC(C)(C)C)c2c1 ZINC000822195666 607130024 /nfs/dbraw/zinc/13/00/24/607130024.db2.gz ZYOBZRLDDXSWIF-UHFFFAOYSA-N -1 3 354.458 3.283 20 0 FGADHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(N(C)CCOC(C)(C)C)c2c1 ZINC000822195666 607130025 /nfs/dbraw/zinc/13/00/25/607130025.db2.gz ZYOBZRLDDXSWIF-UHFFFAOYSA-N -1 3 354.458 3.283 20 0 FGADHM Cc1cc(-c2noc(COc3ccc(-c4nnn[n-]4)cc3F)n2)ccc1F ZINC000822152958 607135021 /nfs/dbraw/zinc/13/50/21/607135021.db2.gz JUCGZCDDEQFWRM-UHFFFAOYSA-N -1 3 370.319 3.082 20 0 FGADHM Cc1cc(-c2noc(COc3ccc(-c4nn[n-]n4)cc3F)n2)ccc1F ZINC000822152958 607135023 /nfs/dbraw/zinc/13/50/23/607135023.db2.gz JUCGZCDDEQFWRM-UHFFFAOYSA-N -1 3 370.319 3.082 20 0 FGADHM CCc1oc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(C)C)cc1C ZINC000821558806 607157423 /nfs/dbraw/zinc/15/74/23/607157423.db2.gz FVHVMLSYTXKRMM-UHFFFAOYSA-N -1 3 355.398 3.370 20 0 FGADHM CCc1oc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(C)C)cc1C ZINC000821558806 607157424 /nfs/dbraw/zinc/15/74/24/607157424.db2.gz FVHVMLSYTXKRMM-UHFFFAOYSA-N -1 3 355.398 3.370 20 0 FGADHM O=C(c1cccc(-c2nnn[n-]2)c1)N1CCC[C@H]1CCCc1ccccc1 ZINC000823487680 607165645 /nfs/dbraw/zinc/16/56/45/607165645.db2.gz FULRVSFDGCLSMC-LJQANCHMSA-N -1 3 361.449 3.494 20 0 FGADHM O=C(c1cccc(-c2nn[n-]n2)c1)N1CCC[C@H]1CCCc1ccccc1 ZINC000823487680 607165647 /nfs/dbraw/zinc/16/56/47/607165647.db2.gz FULRVSFDGCLSMC-LJQANCHMSA-N -1 3 361.449 3.494 20 0 FGADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)N[C@H]1CC2CCC1CC2 ZINC000822954996 607168099 /nfs/dbraw/zinc/16/80/99/607168099.db2.gz HUVXRQFCXJPSMV-JMLCCBQJSA-N -1 3 369.469 3.111 20 0 FGADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)N[C@H]1CC2CCC1CC2 ZINC000822954996 607168100 /nfs/dbraw/zinc/16/81/00/607168100.db2.gz HUVXRQFCXJPSMV-JMLCCBQJSA-N -1 3 369.469 3.111 20 0 FGADHM Cc1ccc(NCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)cc1Cl ZINC000822259114 607168120 /nfs/dbraw/zinc/16/81/20/607168120.db2.gz MXRUQGRTWLUELP-UHFFFAOYSA-N -1 3 367.800 3.491 20 0 FGADHM Cc1ccc(NCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)cc1Cl ZINC000822259114 607168122 /nfs/dbraw/zinc/16/81/22/607168122.db2.gz MXRUQGRTWLUELP-UHFFFAOYSA-N -1 3 367.800 3.491 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1cc(-c2ccccc2)no1 ZINC000823319835 607191355 /nfs/dbraw/zinc/19/13/55/607191355.db2.gz ZPDHPXSKTHINSB-UHFFFAOYSA-N -1 3 366.768 3.427 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@H]1CCC(C)C ZINC000821762715 607194244 /nfs/dbraw/zinc/19/42/44/607194244.db2.gz PHKOGRWIGHMWAN-AWEZNQCLSA-N -1 3 358.446 3.308 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@H]1CCC(C)C ZINC000821762715 607194245 /nfs/dbraw/zinc/19/42/45/607194245.db2.gz PHKOGRWIGHMWAN-AWEZNQCLSA-N -1 3 358.446 3.308 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N[C@@H]1C[C@H]1c1ccccc1 ZINC000823318347 607196187 /nfs/dbraw/zinc/19/61/87/607196187.db2.gz CSCSJCUVHIRMRI-SWLSCSKDSA-N -1 3 354.801 3.198 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N[C@@H]1C[C@H]1c1ccccc1 ZINC000823318347 607196188 /nfs/dbraw/zinc/19/61/88/607196188.db2.gz CSCSJCUVHIRMRI-SWLSCSKDSA-N -1 3 354.801 3.198 20 0 FGADHM C[C@H](Cc1ccsc1)NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820307900 607201541 /nfs/dbraw/zinc/20/15/41/607201541.db2.gz QWJNWWKYMLZCLL-SECBINFHSA-N -1 3 362.846 3.334 20 0 FGADHM C[C@H](Cc1ccsc1)NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820307900 607201542 /nfs/dbraw/zinc/20/15/42/607201542.db2.gz QWJNWWKYMLZCLL-SECBINFHSA-N -1 3 362.846 3.334 20 0 FGADHM FC(F)(F)c1ccc(-c2nnn[n-]2)cc1N1CCN(c2ccccc2)CC1 ZINC000822724112 607226224 /nfs/dbraw/zinc/22/62/24/607226224.db2.gz ZFYXYIGVFOWZNN-UHFFFAOYSA-N -1 3 374.370 3.212 20 0 FGADHM FC(F)(F)c1ccc(-c2nn[n-]n2)cc1N1CCN(c2ccccc2)CC1 ZINC000822724112 607226225 /nfs/dbraw/zinc/22/62/25/607226225.db2.gz ZFYXYIGVFOWZNN-UHFFFAOYSA-N -1 3 374.370 3.212 20 0 FGADHM Cc1cccc2sc(NC(=O)c3ncc(-c4nnn[n-]4)cc3Cl)nc21 ZINC000822340762 607232089 /nfs/dbraw/zinc/23/20/89/607232089.db2.gz GMROHCFBLGOSAT-UHFFFAOYSA-N -1 3 371.813 3.086 20 0 FGADHM Cc1cccc2sc(NC(=O)c3ncc(-c4nn[n-]n4)cc3Cl)nc21 ZINC000822340762 607232090 /nfs/dbraw/zinc/23/20/90/607232090.db2.gz GMROHCFBLGOSAT-UHFFFAOYSA-N -1 3 371.813 3.086 20 0 FGADHM CC(C)n1nccc1C(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@@H](C)C2 ZINC000820736224 607235623 /nfs/dbraw/zinc/23/56/23/607235623.db2.gz YDFFMHMMWWUGFZ-SNVBAGLBSA-N -1 3 371.470 3.083 20 0 FGADHM CC(C)n1nccc1C(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@@H](C)C2 ZINC000820736224 607235624 /nfs/dbraw/zinc/23/56/24/607235624.db2.gz YDFFMHMMWWUGFZ-SNVBAGLBSA-N -1 3 371.470 3.083 20 0 FGADHM Cc1cc(OC(=O)Cc2cccc(-c3nnn[n-]3)c2)ccc1Br ZINC000822210728 607240801 /nfs/dbraw/zinc/24/08/01/607240801.db2.gz OWWXUNIYZOTCST-UHFFFAOYSA-N -1 3 373.210 3.086 20 0 FGADHM Cc1cc(OC(=O)Cc2cccc(-c3nn[n-]n3)c2)ccc1Br ZINC000822210728 607240802 /nfs/dbraw/zinc/24/08/02/607240802.db2.gz OWWXUNIYZOTCST-UHFFFAOYSA-N -1 3 373.210 3.086 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N(c1ccccn1)C1CCCC1 ZINC000822927819 607240950 /nfs/dbraw/zinc/24/09/50/607240950.db2.gz BDVZBLXAPSJKBQ-OUKQBFOZSA-N -1 3 360.421 3.251 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N(c1ccccn1)C1CCCC1 ZINC000822927819 607240951 /nfs/dbraw/zinc/24/09/51/607240951.db2.gz BDVZBLXAPSJKBQ-OUKQBFOZSA-N -1 3 360.421 3.251 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)[C@H]1Cc2ccccc2S1 ZINC000823314880 607244158 /nfs/dbraw/zinc/24/41/58/607244158.db2.gz TZWQRDOQEWGGNK-CQSZACIVSA-N -1 3 357.826 3.176 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)[C@H]1Cc2ccccc2S1 ZINC000823314880 607244159 /nfs/dbraw/zinc/24/41/59/607244159.db2.gz TZWQRDOQEWGGNK-CQSZACIVSA-N -1 3 357.826 3.176 20 0 FGADHM Cc1ccc2c(CC(=O)Oc3ccc(-c4nnn[n-]4)cc3F)coc2c1 ZINC000822274598 607245277 /nfs/dbraw/zinc/24/52/77/607245277.db2.gz CEADCLBUQYMIST-UHFFFAOYSA-N -1 3 352.325 3.209 20 0 FGADHM Cc1ccc2c(CC(=O)Oc3ccc(-c4nn[n-]n4)cc3F)coc2c1 ZINC000822274598 607245278 /nfs/dbraw/zinc/24/52/78/607245278.db2.gz CEADCLBUQYMIST-UHFFFAOYSA-N -1 3 352.325 3.209 20 0 FGADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)c1cc(-c2ccccc2F)on1 ZINC000823450311 607245591 /nfs/dbraw/zinc/24/55/91/607245591.db2.gz NYOQMQJRUQEWPL-UHFFFAOYSA-N -1 3 369.287 3.019 20 0 FGADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)c1cc(-c2ccccc2F)on1 ZINC000823450311 607245592 /nfs/dbraw/zinc/24/55/92/607245592.db2.gz NYOQMQJRUQEWPL-UHFFFAOYSA-N -1 3 369.287 3.019 20 0 FGADHM COCC[C@H](OC(=O)c1ccc(-c2nnn[n-]2)cc1C)c1ccccc1 ZINC000826155556 607780370 /nfs/dbraw/zinc/78/03/70/607780370.db2.gz UNQWMCAPDHCYKF-KRWDZBQOSA-N -1 3 352.394 3.110 20 0 FGADHM COCC[C@H](OC(=O)c1ccc(-c2nn[n-]n2)cc1C)c1ccccc1 ZINC000826155556 607780371 /nfs/dbraw/zinc/78/03/71/607780371.db2.gz UNQWMCAPDHCYKF-KRWDZBQOSA-N -1 3 352.394 3.110 20 0 FGADHM CN(C(=O)c1ccnc(Oc2ccccc2)c1)c1ccccc1-c1nnn[n-]1 ZINC000825834227 607787639 /nfs/dbraw/zinc/78/76/39/607787639.db2.gz SIWWOFHPURHFNB-UHFFFAOYSA-N -1 3 372.388 3.331 20 0 FGADHM CN(C(=O)c1ccnc(Oc2ccccc2)c1)c1ccccc1-c1nn[n-]n1 ZINC000825834227 607787640 /nfs/dbraw/zinc/78/76/40/607787640.db2.gz SIWWOFHPURHFNB-UHFFFAOYSA-N -1 3 372.388 3.331 20 0 FGADHM CCN(C(=O)CCOc1cccc(C)c1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825372420 607799370 /nfs/dbraw/zinc/79/93/70/607799370.db2.gz XOWOAYDATQCSHF-UHFFFAOYSA-N -1 3 365.437 3.306 20 0 FGADHM CCN(C(=O)CCOc1cccc(C)c1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825372420 607799371 /nfs/dbraw/zinc/79/93/71/607799371.db2.gz XOWOAYDATQCSHF-UHFFFAOYSA-N -1 3 365.437 3.306 20 0 FGADHM CCN(C(=O)C[C@H]1CCOc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367341 607799941 /nfs/dbraw/zinc/79/99/41/607799941.db2.gz NOVNYFRFBLMRAG-OAHLLOKOSA-N -1 3 363.421 3.176 20 0 FGADHM CCN(C(=O)C[C@H]1CCOc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367341 607799942 /nfs/dbraw/zinc/79/99/42/607799942.db2.gz NOVNYFRFBLMRAG-OAHLLOKOSA-N -1 3 363.421 3.176 20 0 FGADHM CCN(C(=O)Cc1c[nH]c2cc(C)ccc12)c1ccc(-c2nnn[n-]2)cc1 ZINC000825376869 607800673 /nfs/dbraw/zinc/80/06/73/607800673.db2.gz OLSQZZCNINBREU-UHFFFAOYSA-N -1 3 360.421 3.252 20 0 FGADHM CCN(C(=O)Cc1c[nH]c2cc(C)ccc12)c1ccc(-c2nn[n-]n2)cc1 ZINC000825376869 607800674 /nfs/dbraw/zinc/80/06/74/607800674.db2.gz OLSQZZCNINBREU-UHFFFAOYSA-N -1 3 360.421 3.252 20 0 FGADHM CC(C)(C)O[C@@H](C(=O)Oc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000824119738 607825896 /nfs/dbraw/zinc/82/58/96/607825896.db2.gz PFEBIAOBKXZVSE-MRXNPFEDSA-N -1 3 352.394 3.329 20 0 FGADHM CC(C)(C)O[C@@H](C(=O)Oc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000824119738 607825897 /nfs/dbraw/zinc/82/58/97/607825897.db2.gz PFEBIAOBKXZVSE-MRXNPFEDSA-N -1 3 352.394 3.329 20 0 FGADHM Cc1ccc(CC(=O)Nc2sc3c(c2-c2nnn[n-]2)CC[C@H](C)C3)o1 ZINC000826286583 607826459 /nfs/dbraw/zinc/82/64/59/607826459.db2.gz IDCONXKUXUIFFS-VIFPVBQESA-N -1 3 357.439 3.136 20 0 FGADHM Cc1ccc(CC(=O)Nc2sc3c(c2-c2nn[n-]n2)CC[C@H](C)C3)o1 ZINC000826286583 607826460 /nfs/dbraw/zinc/82/64/60/607826460.db2.gz IDCONXKUXUIFFS-VIFPVBQESA-N -1 3 357.439 3.136 20 0 FGADHM COc1ccc2cccc(CC(=O)N(C)c3ccccc3-c3nnn[n-]3)c2c1 ZINC000826212847 607830854 /nfs/dbraw/zinc/83/08/54/607830854.db2.gz CZIZDEUPAQRXGG-UHFFFAOYSA-N -1 3 373.416 3.234 20 0 FGADHM COc1ccc2cccc(CC(=O)N(C)c3ccccc3-c3nn[n-]n3)c2c1 ZINC000826212847 607830855 /nfs/dbraw/zinc/83/08/55/607830855.db2.gz CZIZDEUPAQRXGG-UHFFFAOYSA-N -1 3 373.416 3.234 20 0 FGADHM c1ccc(N2CC[C@H](CNc3ccc4cc(-c5nnn[n-]5)ccc4n3)C2)cc1 ZINC000826522287 607840983 /nfs/dbraw/zinc/84/09/83/607840983.db2.gz UQFAQKYAGGNFRR-OAHLLOKOSA-N -1 3 371.448 3.353 20 0 FGADHM c1ccc(N2CC[C@H](CNc3ccc4cc(-c5nn[n-]n5)ccc4n3)C2)cc1 ZINC000826522287 607840984 /nfs/dbraw/zinc/84/09/84/607840984.db2.gz UQFAQKYAGGNFRR-OAHLLOKOSA-N -1 3 371.448 3.353 20 0 FGADHM CCSc1nn(CN(C)c2ccccc2-c2nnn[n-]2)c(=S)s1 ZINC000825680182 607847332 /nfs/dbraw/zinc/84/73/32/607847332.db2.gz WTZJCUMINYTQJT-UHFFFAOYSA-N -1 3 365.513 3.060 20 0 FGADHM CCSc1nn(CN(C)c2ccccc2-c2nn[n-]n2)c(=S)s1 ZINC000825680182 607847333 /nfs/dbraw/zinc/84/73/33/607847333.db2.gz WTZJCUMINYTQJT-UHFFFAOYSA-N -1 3 365.513 3.060 20 0 FGADHM CCN(C(=O)c1cc(OC)cs1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825380566 607879121 /nfs/dbraw/zinc/87/91/21/607879121.db2.gz REYVMDMOEUTUIW-UHFFFAOYSA-N -1 3 363.830 3.257 20 0 FGADHM CCN(C(=O)c1cc(OC)cs1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825380566 607879122 /nfs/dbraw/zinc/87/91/22/607879122.db2.gz REYVMDMOEUTUIW-UHFFFAOYSA-N -1 3 363.830 3.257 20 0 FGADHM COc1ccc(Cn2ccc(-c3nnn[n-]3)c2)cc1SC(F)(F)F ZINC000826208609 607891711 /nfs/dbraw/zinc/89/17/11/607891711.db2.gz RVSSYXQTSRBCJS-UHFFFAOYSA-N -1 3 355.345 3.337 20 0 FGADHM COc1ccc(Cn2ccc(-c3nn[n-]n3)c2)cc1SC(F)(F)F ZINC000826208609 607891712 /nfs/dbraw/zinc/89/17/12/607891712.db2.gz RVSSYXQTSRBCJS-UHFFFAOYSA-N -1 3 355.345 3.337 20 0 FGADHM c1cc(CNc2cccc(-c3n[nH]c(C4CC4)n3)c2)cc(-c2nn[n-]n2)c1 ZINC000826516629 607910890 /nfs/dbraw/zinc/91/08/90/607910890.db2.gz TXQGXFKJEQLALJ-UHFFFAOYSA-N -1 3 358.409 3.141 20 0 FGADHM C[C@H]1C[C@H]1c1ccc(CCC(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)o1 ZINC000824900010 607954104 /nfs/dbraw/zinc/95/41/04/607954104.db2.gz RJVWIGAQCQVWCJ-BLLLJJGKSA-N -1 3 363.421 3.105 20 0 FGADHM C[C@H]1C[C@H]1c1ccc(CCC(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)o1 ZINC000824900010 607954105 /nfs/dbraw/zinc/95/41/05/607954105.db2.gz RJVWIGAQCQVWCJ-BLLLJJGKSA-N -1 3 363.421 3.105 20 0 FGADHM CCC(=O)c1cc(C(=O)OCc2cc(F)ccc2-c2nnn[n-]2)ccc1F ZINC000825035286 607960898 /nfs/dbraw/zinc/96/08/98/607960898.db2.gz ZPFUGWZRCJBEOH-UHFFFAOYSA-N -1 3 372.331 3.095 20 0 FGADHM CCC(=O)c1cc(C(=O)OCc2cc(F)ccc2-c2nn[n-]n2)ccc1F ZINC000825035286 607960899 /nfs/dbraw/zinc/96/08/99/607960899.db2.gz ZPFUGWZRCJBEOH-UHFFFAOYSA-N -1 3 372.331 3.095 20 0 FGADHM CC[C@@H](NC(=O)Nc1cccc(-c2nnn[n-]2)c1C)c1c(C)noc1C ZINC000825134829 607961467 /nfs/dbraw/zinc/96/14/67/607961467.db2.gz XFHGXTJTYPXRIW-CYBMUJFWSA-N -1 3 355.402 3.053 20 0 FGADHM CC[C@@H](NC(=O)Nc1cccc(-c2nn[n-]n2)c1C)c1c(C)noc1C ZINC000825134829 607961468 /nfs/dbraw/zinc/96/14/68/607961468.db2.gz XFHGXTJTYPXRIW-CYBMUJFWSA-N -1 3 355.402 3.053 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N1CC=C(C(F)(F)F)CC1 ZINC000826453109 607961686 /nfs/dbraw/zinc/96/16/86/607961686.db2.gz WAPCGYXKRTUUCK-UHFFFAOYSA-N -1 3 372.738 3.246 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N1CC=C(C(F)(F)F)CC1 ZINC000826453109 607961687 /nfs/dbraw/zinc/96/16/87/607961687.db2.gz WAPCGYXKRTUUCK-UHFFFAOYSA-N -1 3 372.738 3.246 20 0 FGADHM O[C@H](COc1ccccc1-c1nnn[n-]1)c1ccc(Cl)cc1Cl ZINC000826505526 607982576 /nfs/dbraw/zinc/98/25/76/607982576.db2.gz XRRCCBGNBMXAST-CYBMUJFWSA-N -1 3 351.193 3.286 20 0 FGADHM O[C@H](COc1ccccc1-c1nn[n-]n1)c1ccc(Cl)cc1Cl ZINC000826505526 607982577 /nfs/dbraw/zinc/98/25/77/607982577.db2.gz XRRCCBGNBMXAST-CYBMUJFWSA-N -1 3 351.193 3.286 20 0 FGADHM O[C@H](COc1ccc(-c2nnn[n-]2)c(F)c1)c1ccc(Cl)cc1Cl ZINC000826504583 607982633 /nfs/dbraw/zinc/98/26/33/607982633.db2.gz ZESJSLOALQHHQA-CQSZACIVSA-N -1 3 369.183 3.425 20 0 FGADHM O[C@H](COc1ccc(-c2nn[n-]n2)c(F)c1)c1ccc(Cl)cc1Cl ZINC000826504583 607982634 /nfs/dbraw/zinc/98/26/34/607982634.db2.gz ZESJSLOALQHHQA-CQSZACIVSA-N -1 3 369.183 3.425 20 0 FGADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)N1CCCC12CCCCC2 ZINC000826440555 607993803 /nfs/dbraw/zinc/99/38/03/607993803.db2.gz QWHJWFPTUXHUKL-UHFFFAOYSA-N -1 3 358.421 3.014 20 0 FGADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)N1CCCC12CCCCC2 ZINC000826440555 607993804 /nfs/dbraw/zinc/99/38/04/607993804.db2.gz QWHJWFPTUXHUKL-UHFFFAOYSA-N -1 3 358.421 3.014 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N[C@H](c1cccnc1)C1CC1 ZINC000826452218 607996691 /nfs/dbraw/zinc/99/66/91/607996691.db2.gz LNXZUMCOZMFTMA-HNNXBMFYSA-N -1 3 369.816 3.188 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N[C@H](c1cccnc1)C1CC1 ZINC000826452218 607996692 /nfs/dbraw/zinc/99/66/92/607996692.db2.gz LNXZUMCOZMFTMA-HNNXBMFYSA-N -1 3 369.816 3.188 20 0 FGADHM Cc1cc([C@@H](NC(=O)c2cccc(-c3nnn[n-]3)c2)C2CC2)ccc1F ZINC000826262782 608009687 /nfs/dbraw/zinc/00/96/87/608009687.db2.gz YQGLAWVUFMFDHA-KRWDZBQOSA-N -1 3 351.385 3.195 20 0 FGADHM Cc1cc([C@@H](NC(=O)c2cccc(-c3nn[n-]n3)c2)C2CC2)ccc1F ZINC000826262782 608009688 /nfs/dbraw/zinc/00/96/88/608009688.db2.gz YQGLAWVUFMFDHA-KRWDZBQOSA-N -1 3 351.385 3.195 20 0 FGADHM C[C@H](CNc1cccc(F)c1-c1nnn[n-]1)c1nc(-c2ccccc2)no1 ZINC000824436849 608016733 /nfs/dbraw/zinc/01/67/33/608016733.db2.gz WGBRYWJQUDGWLU-LLVKDONJSA-N -1 3 365.372 3.271 20 0 FGADHM C[C@H](CNc1cccc(F)c1-c1nn[n-]n1)c1nc(-c2ccccc2)no1 ZINC000824436849 608016734 /nfs/dbraw/zinc/01/67/34/608016734.db2.gz WGBRYWJQUDGWLU-LLVKDONJSA-N -1 3 365.372 3.271 20 0 FGADHM CC(C)[C@@H]1CCc2ccccc2N1C(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000824225646 608029418 /nfs/dbraw/zinc/02/94/18/608029418.db2.gz VDGYEBJIQNSWTB-SFHVURJKSA-N -1 3 361.449 3.413 20 0 FGADHM CC(C)[C@@H]1CCc2ccccc2N1C(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000824225646 608029419 /nfs/dbraw/zinc/02/94/19/608029419.db2.gz VDGYEBJIQNSWTB-SFHVURJKSA-N -1 3 361.449 3.413 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CCc2ccsc2C1 ZINC000826452293 608030925 /nfs/dbraw/zinc/03/09/25/608030925.db2.gz OAYWDFAJTGZZPV-UHFFFAOYSA-N -1 3 360.830 3.172 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CCc2ccsc2C1 ZINC000826452293 608030926 /nfs/dbraw/zinc/03/09/26/608030926.db2.gz OAYWDFAJTGZZPV-UHFFFAOYSA-N -1 3 360.830 3.172 20 0 FGADHM Brc1cc(-c2nn[n-]n2)ccc1N1CCC[C@@H]1c1ccccn1 ZINC000823826560 608047650 /nfs/dbraw/zinc/04/76/50/608047650.db2.gz LHNZYTKPEZREBI-OAHLLOKOSA-N -1 3 371.242 3.366 20 0 FGADHM CC(C)n1ccc(CNc2ccc(-c3nn[n-]n3)cc2Br)n1 ZINC000824371590 608049874 /nfs/dbraw/zinc/04/98/74/608049874.db2.gz KZKAJZQDPNWIKN-UHFFFAOYSA-N -1 3 362.235 3.019 20 0 FGADHM Brc1cc(-c2nn[n-]n2)ccc1N1CC[C@H](c2ccco2)C1 ZINC000823826483 608050022 /nfs/dbraw/zinc/05/00/22/608050022.db2.gz JWNIVRQAWADVHR-NSHDSACASA-N -1 3 360.215 3.216 20 0 FGADHM CS[C@@H]1CCCCN(c2ccc(-c3nn[n-]n3)cc2Br)C1 ZINC000826226931 608051415 /nfs/dbraw/zinc/05/14/15/608051415.db2.gz ITNNSJSFWKDSJY-LLVKDONJSA-N -1 3 368.304 3.351 20 0 FGADHM C[C@@H]1C[C@@H]1NC(=O)c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000824901061 608058040 /nfs/dbraw/zinc/05/80/40/608058040.db2.gz XOFMSBHEBXSBBU-YGRLFVJLSA-N -1 3 369.812 3.451 20 0 FGADHM C[C@@H]1C[C@@H]1NC(=O)c1ccc(Oc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000824901061 608058041 /nfs/dbraw/zinc/05/80/41/608058041.db2.gz XOFMSBHEBXSBBU-YGRLFVJLSA-N -1 3 369.812 3.451 20 0 FGADHM CCN(C(=O)c1cccc([C@@H]2CCOC2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825385637 608066593 /nfs/dbraw/zinc/06/65/93/608066593.db2.gz ONCNQKIQQGXGCR-QGZVFWFLSA-N -1 3 363.421 3.037 20 0 FGADHM CCN(C(=O)c1cccc([C@@H]2CCOC2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825385637 608066594 /nfs/dbraw/zinc/06/65/94/608066594.db2.gz ONCNQKIQQGXGCR-QGZVFWFLSA-N -1 3 363.421 3.037 20 0 FGADHM C[C@@H](c1ccc(F)c(F)c1)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824763208 608067138 /nfs/dbraw/zinc/06/71/38/608067138.db2.gz LCOYNIGLUANOBV-SGTLLEGYSA-N -1 3 371.391 3.279 20 0 FGADHM C[C@@H](c1ccc(F)c(F)c1)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824763208 608067139 /nfs/dbraw/zinc/06/71/39/608067139.db2.gz LCOYNIGLUANOBV-SGTLLEGYSA-N -1 3 371.391 3.279 20 0 FGADHM C[C@H](OC(=O)c1cccc([C@@H]2CCOC2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824722941 608067156 /nfs/dbraw/zinc/06/71/56/608067156.db2.gz KNEHOOMKHRIMHL-SCLBCKFNSA-N -1 3 364.405 3.289 20 0 FGADHM C[C@H](OC(=O)c1cccc([C@@H]2CCOC2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824722941 608067157 /nfs/dbraw/zinc/06/71/57/608067157.db2.gz KNEHOOMKHRIMHL-SCLBCKFNSA-N -1 3 364.405 3.289 20 0 FGADHM C[C@@H](c1ccccc1F)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824772983 608068528 /nfs/dbraw/zinc/06/85/28/608068528.db2.gz XKDJBLPFYGSZSF-UGSOOPFHSA-N -1 3 353.401 3.140 20 0 FGADHM C[C@@H](c1ccccc1F)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824772983 608068529 /nfs/dbraw/zinc/06/85/29/608068529.db2.gz XKDJBLPFYGSZSF-UGSOOPFHSA-N -1 3 353.401 3.140 20 0 FGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cccn1C(C)C ZINC000824293465 608119503 /nfs/dbraw/zinc/11/95/03/608119503.db2.gz MUEQRYIWRHTFJL-UHFFFAOYSA-N -1 3 352.442 3.300 20 0 FGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cccn1C(C)C ZINC000824293465 608119504 /nfs/dbraw/zinc/11/95/04/608119504.db2.gz MUEQRYIWRHTFJL-UHFFFAOYSA-N -1 3 352.442 3.300 20 0 FGADHM CC(C)(C)[C@H]1CCN(C(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)C1 ZINC000824078278 608131059 /nfs/dbraw/zinc/13/10/59/608131059.db2.gz HTEAWGKOUPTKHL-INIZCTEOSA-N -1 3 371.485 3.310 20 0 FGADHM CC(C)(C)[C@H]1CCN(C(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)C1 ZINC000824078278 608131060 /nfs/dbraw/zinc/13/10/60/608131060.db2.gz HTEAWGKOUPTKHL-INIZCTEOSA-N -1 3 371.485 3.310 20 0 FGADHM COCCOc1ccc(-c2nnn[n-]2)cc1NC[C@@H]1C[C@@H]1c1ccccc1 ZINC000826162202 608135601 /nfs/dbraw/zinc/13/56/01/608135601.db2.gz RWUIBABSNGOBBC-DLBZAZTESA-N -1 3 365.437 3.108 20 0 FGADHM COCCOc1ccc(-c2nn[n-]n2)cc1NC[C@@H]1C[C@@H]1c1ccccc1 ZINC000826162202 608135602 /nfs/dbraw/zinc/13/56/02/608135602.db2.gz RWUIBABSNGOBBC-DLBZAZTESA-N -1 3 365.437 3.108 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1COc1ccc(NC(=O)C(C)C)cc1 ZINC000826184661 608153521 /nfs/dbraw/zinc/15/35/21/608153521.db2.gz GKWOHIYJTZGRCT-UHFFFAOYSA-N -1 3 367.409 3.049 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1COc1ccc(NC(=O)C(C)C)cc1 ZINC000826184661 608153522 /nfs/dbraw/zinc/15/35/22/608153522.db2.gz GKWOHIYJTZGRCT-UHFFFAOYSA-N -1 3 367.409 3.049 20 0 FGADHM C[C@H](C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C)c1c(F)cccc1F ZINC000824045117 608153796 /nfs/dbraw/zinc/15/37/96/608153796.db2.gz GRQQCLITTGTLMY-JTQLQIEISA-N -1 3 374.395 3.444 20 0 FGADHM C[C@H](C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C)c1c(F)cccc1F ZINC000824045117 608153797 /nfs/dbraw/zinc/15/37/97/608153797.db2.gz GRQQCLITTGTLMY-JTQLQIEISA-N -1 3 374.395 3.444 20 0 FGADHM C[C@H]1OCC[C@H]1C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000825015136 608155020 /nfs/dbraw/zinc/15/50/20/608155020.db2.gz ZYUNNTFJBBZPEA-SJKOYZFVSA-N -1 3 365.393 3.023 20 0 FGADHM C[C@H]1OCC[C@H]1C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825015136 608155022 /nfs/dbraw/zinc/15/50/22/608155022.db2.gz ZYUNNTFJBBZPEA-SJKOYZFVSA-N -1 3 365.393 3.023 20 0 FGADHM O=C(CCCC(F)(F)F)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000826405417 608159070 /nfs/dbraw/zinc/15/90/70/608159070.db2.gz FASVLUWMERNMLJ-UHFFFAOYSA-N -1 3 365.262 3.139 20 0 FGADHM O=C(CCCC(F)(F)F)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000826405417 608159071 /nfs/dbraw/zinc/15/90/71/608159071.db2.gz FASVLUWMERNMLJ-UHFFFAOYSA-N -1 3 365.262 3.139 20 0 FGADHM COc1ccc([C@H](C)OC(=O)CCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826211690 608168206 /nfs/dbraw/zinc/16/82/06/608168206.db2.gz PQLBVNQUBDBZKX-ZDUSSCGKSA-N -1 3 352.394 3.112 20 0 FGADHM COc1ccc([C@H](C)OC(=O)CCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826211690 608168207 /nfs/dbraw/zinc/16/82/07/608168207.db2.gz PQLBVNQUBDBZKX-ZDUSSCGKSA-N -1 3 352.394 3.112 20 0 FGADHM Cc1cnc([C@H](C)OC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)o1 ZINC000826317558 608171159 /nfs/dbraw/zinc/17/11/59/608171159.db2.gz HCWRDSRUKTZYQC-ZDUSSCGKSA-N -1 3 371.397 3.017 20 0 FGADHM Cc1cnc([C@H](C)OC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)o1 ZINC000826317558 608171160 /nfs/dbraw/zinc/17/11/60/608171160.db2.gz HCWRDSRUKTZYQC-ZDUSSCGKSA-N -1 3 371.397 3.017 20 0 FGADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)C1CCCCCC1 ZINC000825787271 608176652 /nfs/dbraw/zinc/17/66/52/608176652.db2.gz AEVBULZSIMKIOR-UHFFFAOYSA-N -1 3 353.430 3.145 20 0 FGADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)C1CCCCCC1 ZINC000825787271 608176654 /nfs/dbraw/zinc/17/66/54/608176654.db2.gz AEVBULZSIMKIOR-UHFFFAOYSA-N -1 3 353.430 3.145 20 0 FGADHM C[C@H](OC(=O)[C@H]1CCOc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000824716250 608183475 /nfs/dbraw/zinc/18/34/75/608183475.db2.gz XAYLXBCPGAAEMN-LRDDRELGSA-N -1 3 350.378 3.037 20 0 FGADHM C[C@H](OC(=O)[C@H]1CCOc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000824716250 608183477 /nfs/dbraw/zinc/18/34/77/608183477.db2.gz XAYLXBCPGAAEMN-LRDDRELGSA-N -1 3 350.378 3.037 20 0 FGADHM Cc1c(NC(=O)c2cc(Cl)c(N)c(Cl)c2)cccc1-c1nnn[n-]1 ZINC000826242175 608194088 /nfs/dbraw/zinc/19/40/88/608194088.db2.gz DAKZBDQXGSBBPT-UHFFFAOYSA-N -1 3 363.208 3.316 20 0 FGADHM Cc1c(NC(=O)c2cc(Cl)c(N)c(Cl)c2)cccc1-c1nn[n-]n1 ZINC000826242175 608194089 /nfs/dbraw/zinc/19/40/89/608194089.db2.gz DAKZBDQXGSBBPT-UHFFFAOYSA-N -1 3 363.208 3.316 20 0 FGADHM CC(C)COC1CCN(c2ccc3cc(-c4nnn[n-]4)ccc3n2)CC1 ZINC000824267061 608222978 /nfs/dbraw/zinc/22/29/78/608222978.db2.gz WLFSGYCWFZOGSJ-UHFFFAOYSA-N -1 3 352.442 3.056 20 0 FGADHM CC(C)COC1CCN(c2ccc3cc(-c4nn[n-]n4)ccc3n2)CC1 ZINC000824267061 608222981 /nfs/dbraw/zinc/22/29/81/608222981.db2.gz WLFSGYCWFZOGSJ-UHFFFAOYSA-N -1 3 352.442 3.056 20 0 FGADHM CCc1nccn1[C@H]1CCCN(c2ccc3cc(-c4nn[n-]n4)ccc3n2)C1 ZINC000825754800 608226640 /nfs/dbraw/zinc/22/66/40/608226640.db2.gz HUAZAPJWKCIEFL-INIZCTEOSA-N -1 3 374.452 3.015 20 0 FGADHM COc1ccc(COCCNc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000826206802 608239613 /nfs/dbraw/zinc/23/96/13/608239613.db2.gz LTMZJAOYROVWLW-UHFFFAOYSA-N -1 3 359.817 3.157 20 0 FGADHM COc1ccc(COCCNc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000826206802 608239614 /nfs/dbraw/zinc/23/96/14/608239614.db2.gz LTMZJAOYROVWLW-UHFFFAOYSA-N -1 3 359.817 3.157 20 0 FGADHM COc1ccc(COCCNc2cc(Cl)ccc2-c2nnn[n-]2)cc1 ZINC000826206952 608239885 /nfs/dbraw/zinc/23/98/85/608239885.db2.gz STEHSDYTUPFDKF-UHFFFAOYSA-N -1 3 359.817 3.157 20 0 FGADHM COc1ccc(COCCNc2cc(Cl)ccc2-c2nn[n-]n2)cc1 ZINC000826206952 608239887 /nfs/dbraw/zinc/23/98/87/608239887.db2.gz STEHSDYTUPFDKF-UHFFFAOYSA-N -1 3 359.817 3.157 20 0 FGADHM CC(C)Oc1ccc(NC(=O)C=C2CCSCC2)cc1-c1nnn[n-]1 ZINC000824324343 608240213 /nfs/dbraw/zinc/24/02/13/608240213.db2.gz LNTQEUWQMJDUEF-UHFFFAOYSA-N -1 3 359.455 3.046 20 0 FGADHM CC(C)Oc1ccc(NC(=O)C=C2CCSCC2)cc1-c1nn[n-]n1 ZINC000824324343 608240214 /nfs/dbraw/zinc/24/02/14/608240214.db2.gz LNTQEUWQMJDUEF-UHFFFAOYSA-N -1 3 359.455 3.046 20 0 FGADHM CC(C)[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)cc2Br)CCO1 ZINC000824215233 608242399 /nfs/dbraw/zinc/24/23/99/608242399.db2.gz JQYWFBSVQZFSFN-BXUZGUMPSA-N -1 3 366.263 3.245 20 0 FGADHM COc1cc(Br)cc(NCc2ccc(-c3nnn[n-]3)s2)c1 ZINC000826176971 608243142 /nfs/dbraw/zinc/24/31/42/608243142.db2.gz MCMPPLACHCTPTI-UHFFFAOYSA-N -1 3 366.244 3.311 20 0 FGADHM CC(C)(C)Oc1cc(F)ccc1NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824119596 608250813 /nfs/dbraw/zinc/25/08/13/608250813.db2.gz LUHASEACOMDPQR-UHFFFAOYSA-N -1 3 355.373 3.435 20 0 FGADHM CC(C)(C)Oc1cc(F)ccc1NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824119596 608250815 /nfs/dbraw/zinc/25/08/15/608250815.db2.gz LUHASEACOMDPQR-UHFFFAOYSA-N -1 3 355.373 3.435 20 0 FGADHM O=C(OCc1cccc(F)c1Cl)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000826466848 608255988 /nfs/dbraw/zinc/25/59/88/608255988.db2.gz WBQIMORFGNJIBP-UHFFFAOYSA-N -1 3 368.702 3.294 20 0 FGADHM O=C(OCc1cccc(F)c1Cl)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826466848 608255990 /nfs/dbraw/zinc/25/59/90/608255990.db2.gz WBQIMORFGNJIBP-UHFFFAOYSA-N -1 3 368.702 3.294 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1CSc1nc2cc(F)c(F)cc2[nH]1 ZINC000826173818 608262854 /nfs/dbraw/zinc/26/28/54/608262854.db2.gz WEMNAZXPAYSRNN-UHFFFAOYSA-N -1 3 374.376 3.322 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1CSc1nc2cc(F)c(F)cc2[nH]1 ZINC000826173818 608262855 /nfs/dbraw/zinc/26/28/55/608262855.db2.gz WEMNAZXPAYSRNN-UHFFFAOYSA-N -1 3 374.376 3.322 20 0 FGADHM CCc1cccnc1C(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@H](C)C2 ZINC000825728746 608264063 /nfs/dbraw/zinc/26/40/63/608264063.db2.gz YHUXLMYSVQUPNG-JTQLQIEISA-N -1 3 368.466 3.263 20 0 FGADHM CCc1cccnc1C(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@H](C)C2 ZINC000825728746 608264064 /nfs/dbraw/zinc/26/40/64/608264064.db2.gz YHUXLMYSVQUPNG-JTQLQIEISA-N -1 3 368.466 3.263 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N[C@H]1CCCc2cc(F)ccc21 ZINC000826453179 608266133 /nfs/dbraw/zinc/26/61/33/608266133.db2.gz ZOUCHDVRSKKFME-INIZCTEOSA-N -1 3 352.373 3.205 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N[C@H]1CCCc2cc(F)ccc21 ZINC000826453179 608266135 /nfs/dbraw/zinc/26/61/35/608266135.db2.gz ZOUCHDVRSKKFME-INIZCTEOSA-N -1 3 352.373 3.205 20 0 FGADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)Nc1ccc(C2CC2)cc1 ZINC000826440733 608273131 /nfs/dbraw/zinc/27/31/31/608273131.db2.gz YMWADXRHAUJZTJ-UHFFFAOYSA-N -1 3 352.373 3.205 20 0 FGADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)Nc1ccc(C2CC2)cc1 ZINC000826440733 608273133 /nfs/dbraw/zinc/27/31/33/608273133.db2.gz YMWADXRHAUJZTJ-UHFFFAOYSA-N -1 3 352.373 3.205 20 0 FGADHM C[C@@H](OC(=O)C=Cc1ccc(Cl)nc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824713886 608274358 /nfs/dbraw/zinc/27/43/58/608274358.db2.gz KHSMGLSDONHWOF-LXSSAFMLSA-N -1 3 355.785 3.233 20 0 FGADHM C[C@@H](OC(=O)C=Cc1ccc(Cl)nc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824713886 608274359 /nfs/dbraw/zinc/27/43/59/608274359.db2.gz KHSMGLSDONHWOF-LXSSAFMLSA-N -1 3 355.785 3.233 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H](c1ccccc1)C1CC1 ZINC000825621160 608278530 /nfs/dbraw/zinc/27/85/30/608278530.db2.gz OGIVJZPXAWHDEB-SFHVURJKSA-N -1 3 363.421 3.398 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H](c1ccccc1)C1CC1 ZINC000825621160 608278532 /nfs/dbraw/zinc/27/85/32/608278532.db2.gz OGIVJZPXAWHDEB-SFHVURJKSA-N -1 3 363.421 3.398 20 0 FGADHM c1cnc2c(c1)cccc2CNc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC000826525293 608279373 /nfs/dbraw/zinc/27/93/73/608279373.db2.gz DQODAWAFQMXWEU-UHFFFAOYSA-N -1 3 357.421 3.301 20 0 FGADHM c1cnc2c(c1)cccc2CNc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC000826525293 608279374 /nfs/dbraw/zinc/27/93/74/608279374.db2.gz DQODAWAFQMXWEU-UHFFFAOYSA-N -1 3 357.421 3.301 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N[C@H]1CCCc2cc(F)ccc21 ZINC000826454367 608284424 /nfs/dbraw/zinc/28/44/24/608284424.db2.gz TZEOLMFKPNUPRT-INIZCTEOSA-N -1 3 370.363 3.344 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N[C@H]1CCCc2cc(F)ccc21 ZINC000826454367 608284425 /nfs/dbraw/zinc/28/44/25/608284425.db2.gz TZEOLMFKPNUPRT-INIZCTEOSA-N -1 3 370.363 3.344 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)c(NCc2ccnc(O[C@H](C)CC(C)C)c2)n1 ZINC000826277294 608287395 /nfs/dbraw/zinc/28/73/95/608287395.db2.gz QDPPIRJGDZWWCB-CQSZACIVSA-N -1 3 367.457 3.391 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)c(NCc2ccnc(O[C@H](C)CC(C)C)c2)n1 ZINC000826277294 608287396 /nfs/dbraw/zinc/28/73/96/608287396.db2.gz QDPPIRJGDZWWCB-CQSZACIVSA-N -1 3 367.457 3.391 20 0 FGADHM COc1cccc2c1CC[C@@H]2Nc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC000826217800 608296191 /nfs/dbraw/zinc/29/61/91/608296191.db2.gz COIQJXVOLMDARR-KRWDZBQOSA-N -1 3 362.437 3.249 20 0 FGADHM COc1cccc2c1CC[C@@H]2Nc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC000826217800 608296193 /nfs/dbraw/zinc/29/61/93/608296193.db2.gz COIQJXVOLMDARR-KRWDZBQOSA-N -1 3 362.437 3.249 20 0 FGADHM COCC1(C)CCN(c2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)CC1 ZINC000826152846 608297620 /nfs/dbraw/zinc/29/76/20/608297620.db2.gz PNDNBGYXYUEXCR-UHFFFAOYSA-N -1 3 372.860 3.321 20 0 FGADHM COCC1(C)CCN(c2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)CC1 ZINC000826152846 608297622 /nfs/dbraw/zinc/29/76/22/608297622.db2.gz PNDNBGYXYUEXCR-UHFFFAOYSA-N -1 3 372.860 3.321 20 0 FGADHM c1ccc2c(c1)ncc(-c1nnn[n-]1)c2N1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000826523177 608298654 /nfs/dbraw/zinc/29/86/54/608298654.db2.gz DENAYMYZHVLHSQ-CABCVRRESA-N -1 3 364.453 3.058 20 0 FGADHM c1ccc2c(c1)ncc(-c1nn[n-]n1)c2N1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000826523177 608298655 /nfs/dbraw/zinc/29/86/55/608298655.db2.gz DENAYMYZHVLHSQ-CABCVRRESA-N -1 3 364.453 3.058 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)c(N2CCC(Oc3ccccc3Cl)CC2)n1 ZINC000826274495 608300403 /nfs/dbraw/zinc/30/04/03/608300403.db2.gz SUWHOSCSXRELAM-UHFFFAOYSA-N -1 3 370.844 3.271 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)c(N2CCC(Oc3ccccc3Cl)CC2)n1 ZINC000826274495 608300405 /nfs/dbraw/zinc/30/04/05/608300405.db2.gz SUWHOSCSXRELAM-UHFFFAOYSA-N -1 3 370.844 3.271 20 0 FGADHM O=C(NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)[C@H]1CCCS1 ZINC000826440780 608306209 /nfs/dbraw/zinc/30/62/09/608306209.db2.gz ZXYNBEKDWKOJND-QGZVFWFLSA-N -1 3 365.462 3.046 20 0 FGADHM O=C(NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)[C@H]1CCCS1 ZINC000826440780 608306211 /nfs/dbraw/zinc/30/62/11/608306211.db2.gz ZXYNBEKDWKOJND-QGZVFWFLSA-N -1 3 365.462 3.046 20 0 FGADHM CSc1cc(C(=O)OCc2cc(-c3nnn[n-]3)ccc2F)ccc1F ZINC000826230478 608310067 /nfs/dbraw/zinc/31/00/67/608310067.db2.gz VZBYJSMAIASRPC-UHFFFAOYSA-N -1 3 362.361 3.224 20 0 FGADHM CSc1cc(C(=O)OCc2cc(-c3nn[n-]n3)ccc2F)ccc1F ZINC000826230478 608310068 /nfs/dbraw/zinc/31/00/68/608310068.db2.gz VZBYJSMAIASRPC-UHFFFAOYSA-N -1 3 362.361 3.224 20 0 FGADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)c(Cl)c1F ZINC000826464922 608321649 /nfs/dbraw/zinc/32/16/49/608321649.db2.gz RREPYTDYNUYUCT-UHFFFAOYSA-N -1 3 350.712 3.155 20 0 FGADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)c(Cl)c1F ZINC000826464922 608321650 /nfs/dbraw/zinc/32/16/50/608321650.db2.gz RREPYTDYNUYUCT-UHFFFAOYSA-N -1 3 350.712 3.155 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1CSCc1cccc2c1OCCO2 ZINC000826173828 608322976 /nfs/dbraw/zinc/32/29/76/608322976.db2.gz WPNPRCLRYIYEQC-UHFFFAOYSA-N -1 3 370.434 3.080 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1CSCc1cccc2c1OCCO2 ZINC000826173828 608322978 /nfs/dbraw/zinc/32/29/78/608322978.db2.gz WPNPRCLRYIYEQC-UHFFFAOYSA-N -1 3 370.434 3.080 20 0 FGADHM CS[C@H](C)CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000826226013 608338837 /nfs/dbraw/zinc/33/88/37/608338837.db2.gz QFWGAXLAVCGORZ-SECBINFHSA-N -1 3 351.501 3.277 20 0 FGADHM CS[C@H](C)CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000826226013 608338838 /nfs/dbraw/zinc/33/88/38/608338838.db2.gz QFWGAXLAVCGORZ-SECBINFHSA-N -1 3 351.501 3.277 20 0 FGADHM CCN(C(=O)C[C@@H](C)n1cccc1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825366672 608343562 /nfs/dbraw/zinc/34/35/62/608343562.db2.gz DJTFSNREZXMKGK-GFCCVEGCSA-N -1 3 358.833 3.326 20 0 FGADHM CCN(C(=O)C[C@@H](C)n1cccc1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825366672 608343564 /nfs/dbraw/zinc/34/35/64/608343564.db2.gz DJTFSNREZXMKGK-GFCCVEGCSA-N -1 3 358.833 3.326 20 0 FGADHM O=C(NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)NC1(C2CC2)CC1 ZINC000826440821 608357184 /nfs/dbraw/zinc/35/71/84/608357184.db2.gz BNMZXJONABJTAY-UHFFFAOYSA-N -1 3 374.448 3.276 20 0 FGADHM O=C(NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)NC1(C2CC2)CC1 ZINC000826440821 608357185 /nfs/dbraw/zinc/35/71/85/608357185.db2.gz BNMZXJONABJTAY-UHFFFAOYSA-N -1 3 374.448 3.276 20 0 FGADHM CC1=CCN(C(=O)NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)CC1 ZINC000824851546 608357919 /nfs/dbraw/zinc/35/79/19/608357919.db2.gz AFBLTXLTJWQROQ-UHFFFAOYSA-N -1 3 374.448 3.395 20 0 FGADHM CC1=CCN(C(=O)NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)CC1 ZINC000824851546 608357921 /nfs/dbraw/zinc/35/79/21/608357921.db2.gz AFBLTXLTJWQROQ-UHFFFAOYSA-N -1 3 374.448 3.395 20 0 FGADHM CCc1nc(C)c([C@H](C)N(C)Cc2ccc(-c3nn[n-]n3)cc2OC)s1 ZINC000825746455 608364917 /nfs/dbraw/zinc/36/49/17/608364917.db2.gz UYSGVXSCVANCCD-LBPRGKRZSA-N -1 3 372.498 3.396 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)c(N(C)CCCc2cc(-c3ccccc3)n[nH]2)n1 ZINC000826274134 608370024 /nfs/dbraw/zinc/37/00/24/608370024.db2.gz HUMORGFSYTXONB-UHFFFAOYSA-N -1 3 374.452 3.029 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)c(N(C)CCCc2cc(-c3ccccc3)n[nH]2)n1 ZINC000826274134 608370026 /nfs/dbraw/zinc/37/00/26/608370026.db2.gz HUMORGFSYTXONB-UHFFFAOYSA-N -1 3 374.452 3.029 20 0 FGADHM O=C1OCCN1c1cccc(CNc2c(Cl)cccc2-c2nnn[n-]2)c1 ZINC000826483678 608370395 /nfs/dbraw/zinc/37/03/95/608370395.db2.gz WGZDOPRZXOVYHG-UHFFFAOYSA-N -1 3 370.800 3.089 20 0 FGADHM O=C1OCCN1c1cccc(CNc2c(Cl)cccc2-c2nn[n-]n2)c1 ZINC000826483678 608370398 /nfs/dbraw/zinc/37/03/98/608370398.db2.gz WGZDOPRZXOVYHG-UHFFFAOYSA-N -1 3 370.800 3.089 20 0 FGADHM CC[C@](C)(NCc1ccc(-c2nnn[n-]2)cc1OC)c1nc(C)cs1 ZINC000825044100 608371814 /nfs/dbraw/zinc/37/18/14/608371814.db2.gz NZBPIIKTWISTMG-KRWDZBQOSA-N -1 3 358.471 3.055 20 0 FGADHM CC[C@](C)(NCc1ccc(-c2nn[n-]n2)cc1OC)c1nc(C)cs1 ZINC000825044100 608371817 /nfs/dbraw/zinc/37/18/17/608371817.db2.gz NZBPIIKTWISTMG-KRWDZBQOSA-N -1 3 358.471 3.055 20 0 FGADHM c1cc(C2=CCN(c3ncnc4c3CCCCC4)CC2)ccc1-c1nnn[n-]1 ZINC000823867988 608441002 /nfs/dbraw/zinc/44/10/02/608441002.db2.gz MDPLMVFRYSEQMS-UHFFFAOYSA-N -1 3 373.464 3.219 20 0 FGADHM c1cc(C2=CCN(c3ncnc4c3CCCCC4)CC2)ccc1-c1nn[n-]n1 ZINC000823867988 608441003 /nfs/dbraw/zinc/44/10/03/608441003.db2.gz MDPLMVFRYSEQMS-UHFFFAOYSA-N -1 3 373.464 3.219 20 0 FGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000826465951 608443337 /nfs/dbraw/zinc/44/33/37/608443337.db2.gz JRXNJGKFICEHPN-MWLCHTKSSA-N -1 3 372.322 3.418 20 0 FGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000826465951 608443338 /nfs/dbraw/zinc/44/33/38/608443338.db2.gz JRXNJGKFICEHPN-MWLCHTKSSA-N -1 3 372.322 3.418 20 0 FGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)c1cc(Cl)nc(Cl)c1 ZINC000826465977 608448713 /nfs/dbraw/zinc/44/87/13/608448713.db2.gz KQQSLMJHWYIHQU-UHFFFAOYSA-N -1 3 368.155 3.065 20 0 FGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)c1cc(Cl)nc(Cl)c1 ZINC000826465977 608448715 /nfs/dbraw/zinc/44/87/15/608448715.db2.gz KQQSLMJHWYIHQU-UHFFFAOYSA-N -1 3 368.155 3.065 20 0 FGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000826466357 608448913 /nfs/dbraw/zinc/44/89/13/608448913.db2.gz YNEGXEWAUHLNLH-RYUDHWBXSA-N -1 3 374.322 3.131 20 0 FGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000826466357 608448914 /nfs/dbraw/zinc/44/89/14/608448914.db2.gz YNEGXEWAUHLNLH-RYUDHWBXSA-N -1 3 374.322 3.131 20 0 FGADHM O=C(Cc1coc2cc(F)ccc12)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826423835 608452039 /nfs/dbraw/zinc/45/20/39/608452039.db2.gz IXMDRHNMFZLDFT-UHFFFAOYSA-N -1 3 370.315 3.177 20 0 FGADHM O=C(Cc1coc2cc(F)ccc12)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826423835 608452040 /nfs/dbraw/zinc/45/20/40/608452040.db2.gz IXMDRHNMFZLDFT-UHFFFAOYSA-N -1 3 370.315 3.177 20 0 FGADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@@H](C(C)(C)C)C(F)(F)F ZINC000824737670 608455615 /nfs/dbraw/zinc/45/56/15/608455615.db2.gz KDQPEYAPPHTIBB-OTYXRUKQSA-N -1 3 372.347 3.154 20 0 FGADHM C[C@H](NCc1cc(-c2cccs2)on1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824604782 608460883 /nfs/dbraw/zinc/46/08/83/608460883.db2.gz DLVYZTBBOVZAHX-NSHDSACASA-N -1 3 352.423 3.434 20 0 FGADHM Cc1ccc(NC(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000826291291 608469024 /nfs/dbraw/zinc/46/90/24/608469024.db2.gz YJUARVHJWDAWIB-UHFFFAOYSA-N -1 3 360.421 3.496 20 0 FGADHM Cc1ccc(NC(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000826291291 608469026 /nfs/dbraw/zinc/46/90/26/608469026.db2.gz YJUARVHJWDAWIB-UHFFFAOYSA-N -1 3 360.421 3.496 20 0 FGADHM C[C@@H](NCc1c(F)c(F)c(F)c(F)c1F)c1cccc(-c2nnn[n-]2)c1 ZINC000824605267 608487439 /nfs/dbraw/zinc/48/74/39/608487439.db2.gz HCJYJRMPGNHZEB-SSDOTTSWSA-N -1 3 369.297 3.413 20 0 FGADHM C[C@@H](NCc1c(F)c(F)c(F)c(F)c1F)c1cccc(-c2nn[n-]n2)c1 ZINC000824605267 608487440 /nfs/dbraw/zinc/48/74/40/608487440.db2.gz HCJYJRMPGNHZEB-SSDOTTSWSA-N -1 3 369.297 3.413 20 0 FGADHM Cc1ccc(-c2noc(CN[C@H](C)c3cccc(-c4nnn[n-]4)c3)n2)cc1 ZINC000826280715 608488776 /nfs/dbraw/zinc/48/87/76/608488776.db2.gz MXPSAAIXHALVHM-CYBMUJFWSA-N -1 3 361.409 3.076 20 0 FGADHM Cc1ccc(-c2noc(CN[C@H](C)c3cccc(-c4nn[n-]n4)c3)n2)cc1 ZINC000826280715 608488777 /nfs/dbraw/zinc/48/87/77/608488777.db2.gz MXPSAAIXHALVHM-CYBMUJFWSA-N -1 3 361.409 3.076 20 0 FGADHM COc1ccc(CN(C)Cc2cccc(-c3nn[n-]n3)c2)c(Cl)c1OC ZINC000826193133 608525337 /nfs/dbraw/zinc/52/53/37/608525337.db2.gz QWBVHRNRJDSARA-UHFFFAOYSA-N -1 3 373.844 3.169 20 0 FGADHM C[C@H](NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)c1nccn1C ZINC000824613630 608526354 /nfs/dbraw/zinc/52/63/54/608526354.db2.gz WDEUHEAXCNGETP-AWEZNQCLSA-N -1 3 359.437 3.118 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000826452106 608549660 /nfs/dbraw/zinc/54/96/60/608549660.db2.gz HUPHSSFPGVFNSN-CQSZACIVSA-N -1 3 372.820 3.002 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000826452106 608549661 /nfs/dbraw/zinc/54/96/61/608549661.db2.gz HUPHSSFPGVFNSN-CQSZACIVSA-N -1 3 372.820 3.002 20 0 FGADHM CSc1nc(C2CC2)cc(C(=O)N[C@H]2CCC(C)(C)C2)c1-c1nnn[n-]1 ZINC000826231524 608555286 /nfs/dbraw/zinc/55/52/86/608555286.db2.gz OWLVHLHBVDKMMN-NSHDSACASA-N -1 3 372.498 3.170 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1cnc(-c2ccccc2)s1 ZINC000826423452 608585266 /nfs/dbraw/zinc/58/52/66/608585266.db2.gz PPRRDHLGWNNKIE-UHFFFAOYSA-N -1 3 362.418 3.171 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1cnc(-c2ccccc2)s1 ZINC000826423452 608585268 /nfs/dbraw/zinc/58/52/68/608585268.db2.gz PPRRDHLGWNNKIE-UHFFFAOYSA-N -1 3 362.418 3.171 20 0 FGADHM CCCOc1ccc(NC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000825339115 608614606 /nfs/dbraw/zinc/61/46/06/608614606.db2.gz NPWSQCOPBVEVDO-UHFFFAOYSA-N -1 3 370.388 3.116 20 0 FGADHM CCCOc1ccc(NC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000825339115 608614608 /nfs/dbraw/zinc/61/46/08/608614608.db2.gz NPWSQCOPBVEVDO-UHFFFAOYSA-N -1 3 370.388 3.116 20 0 FGADHM Fc1cccc(CN(Cc2ccc(-c3nnn[n-]3)s2)C[C@@H]2CCCO2)c1 ZINC000826376930 608655784 /nfs/dbraw/zinc/65/57/84/608655784.db2.gz YMBHOOXUVBPWFP-HNNXBMFYSA-N -1 3 373.457 3.249 20 0 FGADHM Fc1c(COc2nc(-c3ccccc3Cl)no2)cccc1-c1nnn[n-]1 ZINC000826370906 608671880 /nfs/dbraw/zinc/67/18/80/608671880.db2.gz LBQMTUXFSRODEP-UHFFFAOYSA-N -1 3 372.747 3.288 20 0 FGADHM Fc1c(COc2nc(-c3ccccc3Cl)no2)cccc1-c1nn[n-]n1 ZINC000826370906 608671881 /nfs/dbraw/zinc/67/18/81/608671881.db2.gz LBQMTUXFSRODEP-UHFFFAOYSA-N -1 3 372.747 3.288 20 0 FGADHM CCc1ccc(NC(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)cc1C ZINC000825712992 608764000 /nfs/dbraw/zinc/76/40/00/608764000.db2.gz YSTGPOXLSANNJS-CYBMUJFWSA-N -1 3 351.410 3.144 20 0 FGADHM CCc1ccc(NC(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)cc1C ZINC000825712992 608764004 /nfs/dbraw/zinc/76/40/04/608764004.db2.gz YSTGPOXLSANNJS-CYBMUJFWSA-N -1 3 351.410 3.144 20 0 FGADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(NCCCc2cccs2)n1 ZINC000826368518 608797049 /nfs/dbraw/zinc/79/70/49/608797049.db2.gz SLNRHEYOYAERLY-UHFFFAOYSA-N -1 3 354.361 3.387 20 0 FGADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(NCCCc2cccs2)n1 ZINC000826368518 608797051 /nfs/dbraw/zinc/79/70/51/608797051.db2.gz SLNRHEYOYAERLY-UHFFFAOYSA-N -1 3 354.361 3.387 20 0 FGADHM C[C@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000825014466 608828209 /nfs/dbraw/zinc/82/82/09/608828209.db2.gz VXRXVPJTQZTPNV-UWVGGRQHSA-N -1 3 357.414 3.215 20 0 FGADHM C[C@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000825014466 608828211 /nfs/dbraw/zinc/82/82/11/608828211.db2.gz VXRXVPJTQZTPNV-UWVGGRQHSA-N -1 3 357.414 3.215 20 0 FGADHM Cc1nn(Cc2ccccc2)c(C)c1CNc1cccc(-c2nnn[n-]2)c1 ZINC000826335130 608872318 /nfs/dbraw/zinc/87/23/18/608872318.db2.gz ZYLZDGHLAXJLRZ-UHFFFAOYSA-N -1 3 359.437 3.340 20 0 FGADHM Cc1nn(Cc2ccccc2)c(C)c1CNc1cccc(-c2nn[n-]n2)c1 ZINC000826335130 608872319 /nfs/dbraw/zinc/87/23/19/608872319.db2.gz ZYLZDGHLAXJLRZ-UHFFFAOYSA-N -1 3 359.437 3.340 20 0 FGADHM O=C(Nc1ccc2cccc(Cl)c2n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826455414 609139784 /nfs/dbraw/zinc/13/97/84/609139784.db2.gz NFNRUSVIZZWXCS-UHFFFAOYSA-N -1 3 350.769 3.321 20 0 FGADHM O=C(Nc1ccc2cccc(Cl)c2n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826455414 609139785 /nfs/dbraw/zinc/13/97/85/609139785.db2.gz NFNRUSVIZZWXCS-UHFFFAOYSA-N -1 3 350.769 3.321 20 0 FGADHM CSC[C@H](C)C(=O)Nc1c(-c2nnn[n-]2)c(C)c(C)n1-c1ccccc1 ZINC000826227038 609167458 /nfs/dbraw/zinc/16/74/58/609167458.db2.gz KPKOXOIBXMRFKR-NSHDSACASA-N -1 3 370.482 3.212 20 0 FGADHM CSC[C@H](C)C(=O)Nc1c(-c2nn[n-]n2)c(C)c(C)n1-c1ccccc1 ZINC000826227038 609167460 /nfs/dbraw/zinc/16/74/60/609167460.db2.gz KPKOXOIBXMRFKR-NSHDSACASA-N -1 3 370.482 3.212 20 0 FGADHM CCCCOCC(=O)Nc1c(-c2nnn[n-]2)c(C)c(C)n1-c1ccccc1 ZINC000825290691 609167756 /nfs/dbraw/zinc/16/77/56/609167756.db2.gz FNUPIMJTOCGQIK-UHFFFAOYSA-N -1 3 368.441 3.029 20 0 FGADHM CCCCOCC(=O)Nc1c(-c2nn[n-]n2)c(C)c(C)n1-c1ccccc1 ZINC000825290691 609167757 /nfs/dbraw/zinc/16/77/57/609167757.db2.gz FNUPIMJTOCGQIK-UHFFFAOYSA-N -1 3 368.441 3.029 20 0 FGADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)[C@H]2CCCS2)c1-c1nnn[n-]1 ZINC000826233564 609168212 /nfs/dbraw/zinc/16/82/12/609168212.db2.gz MHJUTSRRBIYXDY-CQSZACIVSA-N -1 3 368.466 3.108 20 0 FGADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)[C@H]2CCCS2)c1-c1nn[n-]n1 ZINC000826233564 609168213 /nfs/dbraw/zinc/16/82/13/609168213.db2.gz MHJUTSRRBIYXDY-CQSZACIVSA-N -1 3 368.466 3.108 20 0 FGADHM CC[C@@H](C)Oc1cc(CNc2ncc(-c3nnn[n-]3)cc2Cl)ccn1 ZINC000825074901 609172581 /nfs/dbraw/zinc/17/25/81/609172581.db2.gz KSSWNJVXKQSHNS-SNVBAGLBSA-N -1 3 359.821 3.100 20 0 FGADHM CC[C@@H](C)Oc1cc(CNc2ncc(-c3nn[n-]n3)cc2Cl)ccn1 ZINC000825074901 609172582 /nfs/dbraw/zinc/17/25/82/609172582.db2.gz KSSWNJVXKQSHNS-SNVBAGLBSA-N -1 3 359.821 3.100 20 0 FGADHM c1nc2ccccn2c1CSc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC000826524679 609175514 /nfs/dbraw/zinc/17/55/14/609175514.db2.gz FFUNQNVTGIJXFW-UHFFFAOYSA-N -1 3 363.450 3.081 20 0 FGADHM c1nc2ccccn2c1CSc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC000826524679 609175516 /nfs/dbraw/zinc/17/55/16/609175516.db2.gz FFUNQNVTGIJXFW-UHFFFAOYSA-N -1 3 363.450 3.081 20 0 FGADHM Cc1ccc(CN(Cc2ccco2)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)s1 ZINC000826288202 609202827 /nfs/dbraw/zinc/20/28/27/609202827.db2.gz VRDMSHCGOVWYFX-UHFFFAOYSA-N -1 3 368.422 3.000 20 0 FGADHM Cc1ccc(CN(Cc2ccco2)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)s1 ZINC000826288202 609202828 /nfs/dbraw/zinc/20/28/28/609202828.db2.gz VRDMSHCGOVWYFX-UHFFFAOYSA-N -1 3 368.422 3.000 20 0 FGADHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000826469775 609210572 /nfs/dbraw/zinc/21/05/72/609210572.db2.gz RNJLQOCLTNCUNL-KRWDZBQOSA-N -1 3 361.409 3.044 20 0 FGADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000826469775 609210574 /nfs/dbraw/zinc/21/05/74/609210574.db2.gz RNJLQOCLTNCUNL-KRWDZBQOSA-N -1 3 361.409 3.044 20 0 FGADHM CC(C)CCc1ccc(NC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000824249034 609214287 /nfs/dbraw/zinc/21/42/87/609214287.db2.gz HBJYMCOJAJEOFJ-SFHVURJKSA-N -1 3 365.437 3.127 20 0 FGADHM CC(C)CCc1ccc(NC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000824249034 609214290 /nfs/dbraw/zinc/21/42/90/609214290.db2.gz HBJYMCOJAJEOFJ-SFHVURJKSA-N -1 3 365.437 3.127 20 0 FGADHM CC(Cl)(Cl)C(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000824465236 609236435 /nfs/dbraw/zinc/23/64/35/609236435.db2.gz MXCSQWRBADWMSY-UHFFFAOYSA-N -1 3 369.237 3.123 20 0 FGADHM CC(Cl)(Cl)C(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000824465236 609236437 /nfs/dbraw/zinc/23/64/37/609236437.db2.gz MXCSQWRBADWMSY-UHFFFAOYSA-N -1 3 369.237 3.123 20 0 FGADHM c1csc(CCCc2nnc(NCc3cc(-c4nnn[n-]4)cs3)o2)c1 ZINC000826526463 609267187 /nfs/dbraw/zinc/26/71/87/609267187.db2.gz ZPHBJLSCCKKSFQ-UHFFFAOYSA-N -1 3 373.467 3.160 20 0 FGADHM c1csc(CCCc2nnc(NCc3cc(-c4nn[n-]n4)cs3)o2)c1 ZINC000826526463 609267188 /nfs/dbraw/zinc/26/71/88/609267188.db2.gz ZPHBJLSCCKKSFQ-UHFFFAOYSA-N -1 3 373.467 3.160 20 0 FGADHM C[C@]1(C(=O)Oc2ccc(-c3ccc(-c4nnn[n-]4)cc3)cc2)CCCOC1 ZINC000824783751 609267914 /nfs/dbraw/zinc/26/79/14/609267914.db2.gz JTGSRGAUSVLOPK-FQEVSTJZSA-N -1 3 364.405 3.256 20 0 FGADHM C[C@]1(C(=O)Oc2ccc(-c3ccc(-c4nn[n-]n4)cc3)cc2)CCCOC1 ZINC000824783751 609267916 /nfs/dbraw/zinc/26/79/16/609267916.db2.gz JTGSRGAUSVLOPK-FQEVSTJZSA-N -1 3 364.405 3.256 20 0 FGADHM CCN(C(=O)C=Cc1cccc(O)c1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367464 609268582 /nfs/dbraw/zinc/26/85/82/609268582.db2.gz QKRLQBHGWRRUEX-VDBIKXPHSA-N -1 3 363.421 3.195 20 0 FGADHM CCN(C(=O)C=Cc1cccc(O)c1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367464 609268583 /nfs/dbraw/zinc/26/85/83/609268583.db2.gz QKRLQBHGWRRUEX-VDBIKXPHSA-N -1 3 363.421 3.195 20 0 FGADHM Cc1ccc(N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1C(=O)N(C)C ZINC000826291552 609280761 /nfs/dbraw/zinc/28/07/61/609280761.db2.gz LGYPUPNBHGEMGP-ZDUSSCGKSA-N -1 3 350.426 3.050 20 0 FGADHM Cc1ccc(N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1C(=O)N(C)C ZINC000826291552 609280763 /nfs/dbraw/zinc/28/07/63/609280763.db2.gz LGYPUPNBHGEMGP-ZDUSSCGKSA-N -1 3 350.426 3.050 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1CNc1ccc2sc(C)nc2c1 ZINC000826170850 609280850 /nfs/dbraw/zinc/28/08/50/609280850.db2.gz ROGKQDSRDMXLME-UHFFFAOYSA-N -1 3 352.423 3.406 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1CNc1ccc2sc(C)nc2c1 ZINC000826170850 609280851 /nfs/dbraw/zinc/28/08/51/609280851.db2.gz ROGKQDSRDMXLME-UHFFFAOYSA-N -1 3 352.423 3.406 20 0 FGADHM CSc1ccccc1CSCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000826231407 609282523 /nfs/dbraw/zinc/28/25/23/609282523.db2.gz KCIGJZMLMSEMQW-UHFFFAOYSA-N -1 3 371.491 3.461 20 0 FGADHM CSc1ccccc1CSCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000826231407 609282524 /nfs/dbraw/zinc/28/25/24/609282524.db2.gz KCIGJZMLMSEMQW-UHFFFAOYSA-N -1 3 371.491 3.461 20 0 FGADHM C[C@@H]1CN(C(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)[C@@H]1c1ccccc1 ZINC000824974530 609291661 /nfs/dbraw/zinc/29/16/61/609291661.db2.gz APFNKIQTPFOSSW-BZNIZROVSA-N -1 3 353.813 3.353 20 0 FGADHM C[C@@H]1CN(C(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)[C@@H]1c1ccccc1 ZINC000824974530 609291663 /nfs/dbraw/zinc/29/16/63/609291663.db2.gz APFNKIQTPFOSSW-BZNIZROVSA-N -1 3 353.813 3.353 20 0 FGADHM COc1ccccc1CCCSc1nnc(C)c(C)c1-c1nnn[n-]1 ZINC000826219740 609305004 /nfs/dbraw/zinc/30/50/04/609305004.db2.gz PADHAEQCMUVGRQ-UHFFFAOYSA-N -1 3 356.455 3.007 20 0 FGADHM COc1ccccc1CCCSc1nnc(C)c(C)c1-c1nn[n-]n1 ZINC000826219740 609305006 /nfs/dbraw/zinc/30/50/06/609305006.db2.gz PADHAEQCMUVGRQ-UHFFFAOYSA-N -1 3 356.455 3.007 20 0 FGADHM Cc1nnc(SCc2csc(-c3ccoc3)n2)c(-c2nnn[n-]2)c1C ZINC000826337225 609307381 /nfs/dbraw/zinc/30/73/81/609307381.db2.gz HTIQLZKRRRLBMC-UHFFFAOYSA-N -1 3 371.451 3.282 20 0 FGADHM Cc1nnc(SCc2csc(-c3ccoc3)n2)c(-c2nn[n-]n2)c1C ZINC000826337225 609307383 /nfs/dbraw/zinc/30/73/83/609307383.db2.gz HTIQLZKRRRLBMC-UHFFFAOYSA-N -1 3 371.451 3.282 20 0 FGADHM CCc1c[nH]c(SCc2ccc(-c3nnn[n-]3)cc2Br)n1 ZINC000825694108 609310885 /nfs/dbraw/zinc/31/08/85/609310885.db2.gz KIOFDZGQMNZPAU-UHFFFAOYSA-N -1 3 365.260 3.207 20 0 FGADHM CCc1c[nH]c(SCc2ccc(-c3nn[n-]n3)cc2Br)n1 ZINC000825694108 609310887 /nfs/dbraw/zinc/31/08/87/609310887.db2.gz KIOFDZGQMNZPAU-UHFFFAOYSA-N -1 3 365.260 3.207 20 0 FGADHM CCc1cc(NCC(=O)Nc2cc(Cl)ccc2-c2nnn[n-]2)ccc1C ZINC000825700616 609313395 /nfs/dbraw/zinc/31/33/95/609313395.db2.gz MROHAMGKXYDTKB-UHFFFAOYSA-N -1 3 370.844 3.442 20 0 FGADHM CCc1cc(NCC(=O)Nc2cc(Cl)ccc2-c2nn[n-]n2)ccc1C ZINC000825700616 609313397 /nfs/dbraw/zinc/31/33/97/609313397.db2.gz MROHAMGKXYDTKB-UHFFFAOYSA-N -1 3 370.844 3.442 20 0 FGADHM Fc1cccc(-n2ccc(NC/C=C/c3ccccc3)n2)c1-c1nnn[n-]1 ZINC000826376685 609320779 /nfs/dbraw/zinc/32/07/79/609320779.db2.gz NTUWQEHRYIUCIG-VMPITWQZSA-N -1 3 361.384 3.317 20 0 FGADHM CN(C[C@@H]1CCCC[C@H]1O)c1c(-c2nnn[n-]2)cnc2ccc(Cl)cc21 ZINC000825908357 609324071 /nfs/dbraw/zinc/32/40/71/609324071.db2.gz GVSSAAIQRJQSEW-MEDUHNTESA-N -1 3 372.860 3.056 20 0 FGADHM CN(C[C@@H]1CCCC[C@H]1O)c1c(-c2nn[n-]n2)cnc2ccc(Cl)cc21 ZINC000825908357 609324073 /nfs/dbraw/zinc/32/40/73/609324073.db2.gz GVSSAAIQRJQSEW-MEDUHNTESA-N -1 3 372.860 3.056 20 0 FGADHM C[C@H](NCc1cccc(OC(C)(C)C)n1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824617146 609345435 /nfs/dbraw/zinc/34/54/35/609345435.db2.gz DVYZISPRKBEYDC-LBPRGKRZSA-N -1 3 370.432 3.429 20 0 FGADHM C[C@H](NCc1cccc(OC(C)(C)C)n1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824617146 609345437 /nfs/dbraw/zinc/34/54/37/609345437.db2.gz DVYZISPRKBEYDC-LBPRGKRZSA-N -1 3 370.432 3.429 20 0 FGADHM COc1ccc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2F)cc1NC(C)=O ZINC000826210648 609348442 /nfs/dbraw/zinc/34/84/42/609348442.db2.gz ZFYUDBFVFFTDRP-SNVBAGLBSA-N -1 3 370.388 3.146 20 0 FGADHM COc1ccc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2F)cc1NC(C)=O ZINC000826210648 609348443 /nfs/dbraw/zinc/34/84/43/609348443.db2.gz ZFYUDBFVFFTDRP-SNVBAGLBSA-N -1 3 370.388 3.146 20 0 FGADHM CCOc1ccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2F)cc1CO ZINC000825643311 609349680 /nfs/dbraw/zinc/34/96/80/609349680.db2.gz LTIBYEBENRYEMP-NSHDSACASA-N -1 3 357.389 3.070 20 0 FGADHM CCOc1ccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2F)cc1CO ZINC000825643311 609349681 /nfs/dbraw/zinc/34/96/81/609349681.db2.gz LTIBYEBENRYEMP-NSHDSACASA-N -1 3 357.389 3.070 20 0 FGADHM CC(C)[C@@H]1C[C@H](CC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CCO1 ZINC000824216263 609370832 /nfs/dbraw/zinc/37/08/32/609370832.db2.gz POSDLHWZKPJMPI-ABAIWWIYSA-N -1 3 363.849 3.300 20 0 FGADHM CC(C)[C@@H]1C[C@H](CC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CCO1 ZINC000824216263 609370834 /nfs/dbraw/zinc/37/08/34/609370834.db2.gz POSDLHWZKPJMPI-ABAIWWIYSA-N -1 3 363.849 3.300 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C[C@H]1CCO[C@H](CC)C1 ZINC000825318096 609376032 /nfs/dbraw/zinc/37/60/32/609376032.db2.gz IPESZQRTGRVNAI-FUHWJXTLSA-N -1 3 371.485 3.201 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C[C@H]1CCO[C@H](CC)C1 ZINC000825318096 609376034 /nfs/dbraw/zinc/37/60/34/609376034.db2.gz IPESZQRTGRVNAI-FUHWJXTLSA-N -1 3 371.485 3.201 20 0 FGADHM COc1ccc2c(c1)C[C@@H](C)N(C(=O)c1sccc1-c1nnn[n-]1)[C@H]2C ZINC000826212381 609408414 /nfs/dbraw/zinc/40/84/14/609408414.db2.gz OQNUIWPJOCVAEV-MNOVXSKESA-N -1 3 369.450 3.085 20 0 FGADHM COc1ccc2c(c1)C[C@@H](C)N(C(=O)c1sccc1-c1nn[n-]n1)[C@H]2C ZINC000826212381 609408415 /nfs/dbraw/zinc/40/84/15/609408415.db2.gz OQNUIWPJOCVAEV-MNOVXSKESA-N -1 3 369.450 3.085 20 0 FGADHM COc1ccc2c(c1)C[C@@H](C)N(C(=O)c1cc(-c3nnn[n-]3)cs1)[C@@H]2C ZINC000826212507 609408481 /nfs/dbraw/zinc/40/84/81/609408481.db2.gz SXFMRPRBQNXLFQ-GHMZBOCLSA-N -1 3 369.450 3.085 20 0 FGADHM COc1ccc2c(c1)C[C@@H](C)N(C(=O)c1cc(-c3nn[n-]n3)cs1)[C@@H]2C ZINC000826212507 609408482 /nfs/dbraw/zinc/40/84/82/609408482.db2.gz SXFMRPRBQNXLFQ-GHMZBOCLSA-N -1 3 369.450 3.085 20 0 FGADHM COc1cc(C)c(CNc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)c(C)n1 ZINC000826178163 609409922 /nfs/dbraw/zinc/40/99/22/609409922.db2.gz MNXOBPRFAYYLHQ-UHFFFAOYSA-N -1 3 368.441 3.286 20 0 FGADHM COc1cc(C)c(CNc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)c(C)n1 ZINC000826178163 609409924 /nfs/dbraw/zinc/40/99/24/609409924.db2.gz MNXOBPRFAYYLHQ-UHFFFAOYSA-N -1 3 368.441 3.286 20 0 FGADHM CC(C)[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1ccc(Cl)cc1F ZINC000824193363 609417406 /nfs/dbraw/zinc/41/74/06/609417406.db2.gz XQJQXRVWWWRQRW-CQSZACIVSA-N -1 3 362.796 3.114 20 0 FGADHM CC(C)[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1ccc(Cl)cc1F ZINC000824193363 609417409 /nfs/dbraw/zinc/41/74/09/609417409.db2.gz XQJQXRVWWWRQRW-CQSZACIVSA-N -1 3 362.796 3.114 20 0 FGADHM Fc1ccc(-n2ccc(CNc3ccc(Cl)c(-c4nnn[n-]4)c3)n2)cc1 ZINC000826373566 609438198 /nfs/dbraw/zinc/43/81/98/609438198.db2.gz QPGUTDCIKCKDST-UHFFFAOYSA-N -1 3 369.791 3.457 20 0 FGADHM Fc1ccc(-n2ccc(CNc3ccc(Cl)c(-c4nn[n-]n4)c3)n2)cc1 ZINC000826373566 609438200 /nfs/dbraw/zinc/43/82/00/609438200.db2.gz QPGUTDCIKCKDST-UHFFFAOYSA-N -1 3 369.791 3.457 20 0 FGADHM CCN(C(=O)c1sccc1COC)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825391378 609444417 /nfs/dbraw/zinc/44/44/17/609444417.db2.gz YRXBEPUUTUQWEL-LBPRGKRZSA-N -1 3 371.466 3.298 20 0 FGADHM CCN(C(=O)c1sccc1COC)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825391378 609444420 /nfs/dbraw/zinc/44/44/20/609444420.db2.gz YRXBEPUUTUQWEL-LBPRGKRZSA-N -1 3 371.466 3.298 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H](C)Cc1ccc(C)cc1 ZINC000825620414 609445979 /nfs/dbraw/zinc/44/59/79/609445979.db2.gz AWBQLPCEVJWESF-CQSZACIVSA-N -1 3 365.437 3.391 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H](C)Cc1ccc(C)cc1 ZINC000825620414 609445981 /nfs/dbraw/zinc/44/59/81/609445981.db2.gz AWBQLPCEVJWESF-CQSZACIVSA-N -1 3 365.437 3.391 20 0 FGADHM Cc1ccc(C2=CCN(c3nc4ccccn4c3-c3nnn[n-]3)CC2)cc1 ZINC000826285375 609457590 /nfs/dbraw/zinc/45/75/90/609457590.db2.gz YBEROKXTWWJUTE-UHFFFAOYSA-N -1 3 357.421 3.117 20 0 FGADHM Cc1ccc(C2=CCN(c3nc4ccccn4c3-c3nn[n-]n3)CC2)cc1 ZINC000826285375 609457591 /nfs/dbraw/zinc/45/75/91/609457591.db2.gz YBEROKXTWWJUTE-UHFFFAOYSA-N -1 3 357.421 3.117 20 0 FGADHM O=C(COc1ccccc1-c1nnn[n-]1)Nc1csc2ccccc12 ZINC000826419330 609457714 /nfs/dbraw/zinc/45/77/14/609457714.db2.gz SKDPDQORXSSECX-UHFFFAOYSA-N -1 3 351.391 3.099 20 0 FGADHM O=C(COc1ccccc1-c1nn[n-]n1)Nc1csc2ccccc12 ZINC000826419330 609457716 /nfs/dbraw/zinc/45/77/16/609457716.db2.gz SKDPDQORXSSECX-UHFFFAOYSA-N -1 3 351.391 3.099 20 0 FGADHM CC(C)(C)OC(=O)NC1CCC(Nc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000394162699 609474453 /nfs/dbraw/zinc/47/44/53/609474453.db2.gz RAPZBYHXXBKJDT-UHFFFAOYSA-N -1 3 358.446 3.115 20 0 FGADHM CC(C)(C)OC(=O)NC1CCC(Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000394162699 609474454 /nfs/dbraw/zinc/47/44/54/609474454.db2.gz RAPZBYHXXBKJDT-UHFFFAOYSA-N -1 3 358.446 3.115 20 0 FGADHM COc1cc(NCc2cccc(-c3nnn[n-]3)c2F)c(OC)cc1Cl ZINC000826181361 609476599 /nfs/dbraw/zinc/47/65/99/609476599.db2.gz WDFDADMANLUTOA-UHFFFAOYSA-N -1 3 363.780 3.289 20 0 FGADHM COc1cc(NCc2cccc(-c3nn[n-]n3)c2F)c(OC)cc1Cl ZINC000826181361 609476602 /nfs/dbraw/zinc/47/66/02/609476602.db2.gz WDFDADMANLUTOA-UHFFFAOYSA-N -1 3 363.780 3.289 20 0 FGADHM CCN(C(=O)c1c(C)noc1C1CC1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825376803 609480911 /nfs/dbraw/zinc/48/09/11/609480911.db2.gz NZAGNMULNSXQFZ-LBPRGKRZSA-N -1 3 366.425 3.264 20 0 FGADHM CCN(C(=O)c1c(C)noc1C1CC1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825376803 609480912 /nfs/dbraw/zinc/48/09/12/609480912.db2.gz NZAGNMULNSXQFZ-LBPRGKRZSA-N -1 3 366.425 3.264 20 0 FGADHM CCOc1cccc(CSCc2cc(-c3nnn[n-]3)ccc2OC)n1 ZINC000825649282 609489014 /nfs/dbraw/zinc/48/90/14/609489014.db2.gz NRVFCPYSFCXSOF-UHFFFAOYSA-N -1 3 357.439 3.102 20 0 FGADHM CCOc1cccc(CSCc2cc(-c3nn[n-]n3)ccc2OC)n1 ZINC000825649282 609489017 /nfs/dbraw/zinc/48/90/17/609489017.db2.gz NRVFCPYSFCXSOF-UHFFFAOYSA-N -1 3 357.439 3.102 20 0 FGADHM Cc1ccc2oc(SCc3cn4ccccc4c3-c3nnn[n-]3)nc2n1 ZINC000826295283 609491057 /nfs/dbraw/zinc/49/10/57/609491057.db2.gz AIGAYJRHQBTZFW-UHFFFAOYSA-N -1 3 363.406 3.256 20 0 FGADHM Cc1ccc2oc(SCc3cn4ccccc4c3-c3nn[n-]n3)nc2n1 ZINC000826295283 609491059 /nfs/dbraw/zinc/49/10/59/609491059.db2.gz AIGAYJRHQBTZFW-UHFFFAOYSA-N -1 3 363.406 3.256 20 0 FGADHM Fc1cc(F)c(OCc2cccc(-c3nnn[n-]3)c2)c(Br)c1 ZINC000826372752 609505290 /nfs/dbraw/zinc/50/52/90/609505290.db2.gz KJTUCGQIVPXJIQ-UHFFFAOYSA-N -1 3 367.153 3.486 20 0 FGADHM Fc1cc(F)c(OCc2cccc(-c3nn[n-]n3)c2)c(Br)c1 ZINC000826372752 609505291 /nfs/dbraw/zinc/50/52/91/609505291.db2.gz KJTUCGQIVPXJIQ-UHFFFAOYSA-N -1 3 367.153 3.486 20 0 FGADHM CCN(C(=O)CCCOC(C)C)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825372407 609509283 /nfs/dbraw/zinc/50/92/83/609509283.db2.gz XBKKBQWDKGRMAL-UHFFFAOYSA-N -1 3 351.838 3.078 20 0 FGADHM CCN(C(=O)CCCOC(C)C)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825372407 609509280 /nfs/dbraw/zinc/50/92/80/609509280.db2.gz XBKKBQWDKGRMAL-UHFFFAOYSA-N -1 3 351.838 3.078 20 0 FGADHM O=C(Nc1sccc1-c1nnn[n-]1)c1ccc([C@H]2CCCOC2)cc1 ZINC000826461034 609509331 /nfs/dbraw/zinc/50/93/31/609509331.db2.gz CKNVAYFSLHUMRN-ZDUSSCGKSA-N -1 3 355.423 3.075 20 0 FGADHM O=C(Nc1sccc1-c1nn[n-]n1)c1ccc([C@H]2CCCOC2)cc1 ZINC000826461034 609509334 /nfs/dbraw/zinc/50/93/34/609509334.db2.gz CKNVAYFSLHUMRN-ZDUSSCGKSA-N -1 3 355.423 3.075 20 0 FGADHM Cc1ccc2c(c1)[C@H](NC(=S)Nc1ccccc1-c1nnn[n-]1)[C@@H](C)C2 ZINC000826294584 609509407 /nfs/dbraw/zinc/50/94/07/609509407.db2.gz WDVHBYJDWXPIMA-YVEFUNNKSA-N -1 3 364.478 3.395 20 0 FGADHM Cc1ccc2c(c1)[C@H](NC(=S)Nc1ccccc1-c1nn[n-]n1)[C@@H](C)C2 ZINC000826294584 609509409 /nfs/dbraw/zinc/50/94/09/609509409.db2.gz WDVHBYJDWXPIMA-YVEFUNNKSA-N -1 3 364.478 3.395 20 0 FGADHM O=C(c1ccc(-c2ccccc2)o1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826470779 609511082 /nfs/dbraw/zinc/51/10/82/609511082.db2.gz CJKFGLRYHLICIN-UHFFFAOYSA-N -1 3 357.373 3.330 20 0 FGADHM O=C(c1ccc(-c2ccccc2)o1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826470779 609511084 /nfs/dbraw/zinc/51/10/84/609511084.db2.gz CJKFGLRYHLICIN-UHFFFAOYSA-N -1 3 357.373 3.330 20 0 FGADHM CC[C@@H](C)[C@@H](C)C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(F)(F)F ZINC000825050333 609529677 /nfs/dbraw/zinc/52/96/77/609529677.db2.gz HVOSAQQWQZHRBF-VXGBXAGGSA-N -1 3 369.391 3.440 20 0 FGADHM CC[C@@H](C)[C@@H](C)C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(F)(F)F ZINC000825050333 609529680 /nfs/dbraw/zinc/52/96/80/609529680.db2.gz HVOSAQQWQZHRBF-VXGBXAGGSA-N -1 3 369.391 3.440 20 0 FGADHM Cc1ccnc(NCc2ccc(Br)c(F)c2)c1-c1nnn[n-]1 ZINC000826314306 609542636 /nfs/dbraw/zinc/54/26/36/609542636.db2.gz PYSQMZOIBJVPTB-UHFFFAOYSA-N -1 3 363.194 3.084 20 0 FGADHM Cc1ccnc(NCc2ccc(Br)c(F)c2)c1-c1nn[n-]n1 ZINC000826314306 609542638 /nfs/dbraw/zinc/54/26/38/609542638.db2.gz PYSQMZOIBJVPTB-UHFFFAOYSA-N -1 3 363.194 3.084 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)c(Nc2cnc(N3CCCC[C@H]3C)c(C)c2)n1 ZINC000826277266 609563720 /nfs/dbraw/zinc/56/37/20/609563720.db2.gz PCNDUCAOHWWVKY-CQSZACIVSA-N -1 3 364.457 3.396 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)c(Nc2cnc(N3CCCC[C@H]3C)c(C)c2)n1 ZINC000826277266 609563722 /nfs/dbraw/zinc/56/37/22/609563722.db2.gz PCNDUCAOHWWVKY-CQSZACIVSA-N -1 3 364.457 3.396 20 0 FGADHM Cc1cc(Nc2ccc(-c3nnn[n-]3)nc2)cnc1N1CCCC[C@@H]1C ZINC000826271585 609563744 /nfs/dbraw/zinc/56/37/44/609563744.db2.gz XVNCZICEYPFWAD-ZDUSSCGKSA-N -1 3 350.430 3.088 20 0 FGADHM Cc1cc(Nc2ccc(-c3nn[n-]n3)nc2)cnc1N1CCCC[C@@H]1C ZINC000826271585 609563747 /nfs/dbraw/zinc/56/37/47/609563747.db2.gz XVNCZICEYPFWAD-ZDUSSCGKSA-N -1 3 350.430 3.088 20 0 FGADHM Cc1c(Cl)cnc(N2CCS[C@H]3CCCC[C@@H]32)c1-c1nnn[n-]1 ZINC000826239182 609571904 /nfs/dbraw/zinc/57/19/04/609571904.db2.gz ZKUKCTVNFPHCIX-RYUDHWBXSA-N -1 3 350.879 3.088 20 0 FGADHM Cc1c(Cl)cnc(N2CCS[C@H]3CCCC[C@@H]32)c1-c1nn[n-]n1 ZINC000826239182 609571907 /nfs/dbraw/zinc/57/19/07/609571907.db2.gz ZKUKCTVNFPHCIX-RYUDHWBXSA-N -1 3 350.879 3.088 20 0 FGADHM Cc1c(Cl)cnc(NCC(C)(C)[C@@H]2CCCCO2)c1-c1nnn[n-]1 ZINC000826239592 609575626 /nfs/dbraw/zinc/57/56/26/609575626.db2.gz LGJLZFBFCXLQJD-LBPRGKRZSA-N -1 3 350.854 3.231 20 0 FGADHM Cc1c(Cl)cnc(NCC(C)(C)[C@@H]2CCCCO2)c1-c1nn[n-]n1 ZINC000826239592 609575628 /nfs/dbraw/zinc/57/56/28/609575628.db2.gz LGJLZFBFCXLQJD-LBPRGKRZSA-N -1 3 350.854 3.231 20 0 FGADHM Cc1c(Cl)cnc(N[C@@H](c2ccccc2)[C@H]2CCOC2)c1-c1nnn[n-]1 ZINC000826238482 609584375 /nfs/dbraw/zinc/58/43/75/609584375.db2.gz HMBAMMARWDMUQF-BBRMVZONSA-N -1 3 370.844 3.413 20 0 FGADHM Cc1c(Cl)cnc(N[C@@H](c2ccccc2)[C@H]2CCOC2)c1-c1nn[n-]n1 ZINC000826238482 609584378 /nfs/dbraw/zinc/58/43/78/609584378.db2.gz HMBAMMARWDMUQF-BBRMVZONSA-N -1 3 370.844 3.413 20 0 FGADHM C[C@H]1C[C@@H](C(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)CC(C)(C)C1 ZINC000824865722 609599399 /nfs/dbraw/zinc/59/93/99/609599399.db2.gz JFEOXQIVRQJBAK-DZGCQCFKSA-N -1 3 353.470 3.434 20 0 FGADHM C[C@H]1C[C@@H](C(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)CC(C)(C)C1 ZINC000824865722 609599402 /nfs/dbraw/zinc/59/94/02/609599402.db2.gz JFEOXQIVRQJBAK-DZGCQCFKSA-N -1 3 353.470 3.434 20 0 FGADHM Cc1ccc(C(F)(F)C(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC000826284585 609600001 /nfs/dbraw/zinc/60/00/01/609600001.db2.gz YHYJLODZJNQGAT-UHFFFAOYSA-N -1 3 369.375 3.072 20 0 FGADHM Cc1ccc(C(F)(F)C(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000826284585 609600002 /nfs/dbraw/zinc/60/00/02/609600002.db2.gz YHYJLODZJNQGAT-UHFFFAOYSA-N -1 3 369.375 3.072 20 0 FGADHM CS[C@H](CNC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)C(C)(C)C ZINC000826225464 609602983 /nfs/dbraw/zinc/60/29/83/609602983.db2.gz CURRDBRTBLINHA-SMDDNHRTSA-N -1 3 362.503 3.005 20 0 FGADHM CS[C@H](CNC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)C(C)(C)C ZINC000826225464 609602986 /nfs/dbraw/zinc/60/29/86/609602986.db2.gz CURRDBRTBLINHA-SMDDNHRTSA-N -1 3 362.503 3.005 20 0 FGADHM CC(C)C[C@H](C)OCCC(=O)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000824229840 609614408 /nfs/dbraw/zinc/61/44/08/609614408.db2.gz VSVZPOMDQDBWTF-LBPRGKRZSA-N -1 3 366.849 3.405 20 0 FGADHM CC(C)C[C@H](C)OCCC(=O)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000824229840 609614409 /nfs/dbraw/zinc/61/44/09/609614409.db2.gz VSVZPOMDQDBWTF-LBPRGKRZSA-N -1 3 366.849 3.405 20 0 FGADHM Cc1cccc(OC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)c1F ZINC000826300073 609621790 /nfs/dbraw/zinc/62/17/90/609621790.db2.gz HNJAOOFCJKLUGH-UHFFFAOYSA-N -1 3 370.384 3.469 20 0 FGADHM Cc1cccc(OC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)c1F ZINC000826300073 609621792 /nfs/dbraw/zinc/62/17/92/609621792.db2.gz HNJAOOFCJKLUGH-UHFFFAOYSA-N -1 3 370.384 3.469 20 0 FGADHM Cc1n[n-]c(C)c1S(=O)(=O)Oc1ccc(Br)cc1Cl ZINC000010492649 695590584 /nfs/dbraw/zinc/59/05/84/695590584.db2.gz XWPVRRISUJUBIY-UHFFFAOYSA-N -1 3 365.636 3.210 20 0 FGADHM C[C@H]1Cc2ccccc2N1C(=O)COC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000011808841 695602571 /nfs/dbraw/zinc/60/25/71/695602571.db2.gz KKZWJGMGWXFHNW-VIFPVBQESA-N -1 3 353.205 3.456 20 0 FGADHM Cc1ccccc1C(=O)N[N-]C(=O)c1cc(Br)ccc1Cl ZINC000015692704 695620954 /nfs/dbraw/zinc/62/09/54/695620954.db2.gz IDYJHJVMOBWANF-UHFFFAOYSA-N -1 3 367.630 3.486 20 0 FGADHM Cc1nc(CC(=O)O[C@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)cs1 ZINC000022619291 695655030 /nfs/dbraw/zinc/65/50/30/695655030.db2.gz USZSJMYADHJBOU-MRVPVSSYSA-N -1 3 363.464 3.213 20 0 FGADHM O=S(=O)([N-][C@H](c1ccccc1)c1ccccn1)c1cc(F)cc(F)c1 ZINC000024704211 695669297 /nfs/dbraw/zinc/66/92/97/695669297.db2.gz YYJYCUGMLFDLDP-GOSISDBHSA-N -1 3 360.385 3.428 20 0 FGADHM CC[C@@H]1CCCN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)C1 ZINC000027154487 695691463 /nfs/dbraw/zinc/69/14/63/695691463.db2.gz AZEDWRSQGYMOMP-CYBMUJFWSA-N -1 3 370.490 3.165 20 0 FGADHM O=C(CCc1ccccc1Cl)N[N-]C(=O)c1ccc2ccccc2n1 ZINC000029708973 695715482 /nfs/dbraw/zinc/71/54/82/695715482.db2.gz CUJMNKTWZASIEH-UHFFFAOYSA-N -1 3 353.809 3.282 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2F)c2cccnc12 ZINC000047251795 695854695 /nfs/dbraw/zinc/85/46/95/695854695.db2.gz DSZNOWKAGGXFIM-UHFFFAOYSA-N -1 3 350.346 3.322 20 0 FGADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3sccc3C#N)nc(=O)c2c1C ZINC000052224249 695920745 /nfs/dbraw/zinc/92/07/45/695920745.db2.gz AEDKTBAZECOVHP-QMMMGPOBSA-N -1 3 359.432 3.453 20 0 FGADHM C[C@@H]1CCCN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)CC1 ZINC000068784099 695944226 /nfs/dbraw/zinc/94/42/26/695944226.db2.gz BBAFNEWBARGBPT-CYBMUJFWSA-N -1 3 370.490 3.165 20 0 FGADHM Cc1noc(C)c1[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000072993167 695964974 /nfs/dbraw/zinc/96/49/74/695964974.db2.gz RTLFSZXAHLEKEE-ZETCQYMHSA-N -1 3 350.227 3.033 20 0 FGADHM C[C@H]1CCCCCN1C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000074659811 700197287 /nfs/dbraw/zinc/19/72/87/700197287.db2.gz AWEFSRGGSDNAOE-ZDUSSCGKSA-N -1 3 370.490 3.307 20 0 FGADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCc1ccc(Cl)cc1Cl ZINC000078790929 700288456 /nfs/dbraw/zinc/28/84/56/700288456.db2.gz XNWWIPCMJCNQMS-UHFFFAOYSA-N -1 3 354.237 3.439 20 0 FGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1cccc(SC(F)F)c1 ZINC000081655601 700338494 /nfs/dbraw/zinc/33/84/94/700338494.db2.gz PKRXDWWYERZRLP-UHFFFAOYSA-N -1 3 357.407 3.367 20 0 FGADHM CC[C@@H](C#N)OC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000084713176 700362256 /nfs/dbraw/zinc/36/22/56/700362256.db2.gz GWBIGBVDBBILPY-ZDUSSCGKSA-N -1 3 362.382 3.085 20 0 FGADHM O=C(NN=c1ccc(Cl)n[n-]1)Nc1cc(F)ccc1N1CCCCC1 ZINC000092602974 700438065 /nfs/dbraw/zinc/43/80/65/700438065.db2.gz MMGWZPDMWKQJRV-UHFFFAOYSA-N -1 3 364.812 3.408 20 0 FGADHM COC(=O)NCc1ccc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)cc1 ZINC000117230450 700602086 /nfs/dbraw/zinc/60/20/86/700602086.db2.gz QBPQADZYCDFGRG-UHFFFAOYSA-N -1 3 362.451 3.467 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)[C@H](O)c1ccc(F)cc1 ZINC000119347900 700626254 /nfs/dbraw/zinc/62/62/54/700626254.db2.gz QECTZNAGPGLAOQ-VFZGTOFNSA-N -1 3 361.797 3.019 20 0 FGADHM Cc1oc(C)c(C(=O)N[N-]C(=O)c2ccc(F)cc2Br)c1C ZINC000130142267 700797047 /nfs/dbraw/zinc/79/70/47/700797047.db2.gz RQJMFFIIPQAMLY-UHFFFAOYSA-N -1 3 369.190 3.181 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)c1cc(C(C)=O)ccc1Cl)c1nccs1 ZINC000132089100 700823505 /nfs/dbraw/zinc/82/35/05/700823505.db2.gz YAZIGHYASFNTIQ-LBPRGKRZSA-N -1 3 358.872 3.429 20 0 FGADHM Cc1nc(C[N-]C(=O)C(F)(F)C2(O)CCC2)oc1-c1ccc(Cl)cc1 ZINC000153409229 704997845 /nfs/dbraw/zinc/99/78/45/704997845.db2.gz PSTDWBYMKVWVTQ-UHFFFAOYSA-N -1 3 370.783 3.470 20 0 FGADHM COc1ccccc1N1C[C@@H](C(=O)Nc2ccc(Cl)cc2[O-])CC1=O ZINC000153428722 704998952 /nfs/dbraw/zinc/99/89/52/704998952.db2.gz HVWJEPHWABLMBT-NSHDSACASA-N -1 3 360.797 3.046 20 0 FGADHM O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1ccc(Cl)cc1[O-] ZINC000153500211 705001752 /nfs/dbraw/zinc/00/17/52/705001752.db2.gz AJLWFZRVPHBTSA-UHFFFAOYSA-N -1 3 358.781 3.061 20 0 FGADHM CC[C@@H](SC)C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000153560274 705004582 /nfs/dbraw/zinc/00/45/82/705004582.db2.gz IIGSERKLPSOBGJ-GDBMZVCRSA-N -1 3 356.919 3.268 20 0 FGADHM O=C(Nc1ccc(Cl)cc1[O-])[C@H](c1cccc(F)c1)N1CCOCC1 ZINC000153712925 705009414 /nfs/dbraw/zinc/00/94/14/705009414.db2.gz NPPVJSULZFEVBE-KRWDZBQOSA-N -1 3 364.804 3.197 20 0 FGADHM O=C(NN=c1cncc(Cl)[n-]1)N[C@H]1C[C@H]1c1c(F)cccc1Cl ZINC000155561854 705083438 /nfs/dbraw/zinc/08/34/38/705083438.db2.gz LVNHSDYXOPNPLV-XCBNKYQSSA-N -1 3 356.188 3.105 20 0 FGADHM O=C1CN(c2ccc(NCc3c([O-])cccc3Cl)cc2Cl)CCN1 ZINC000156120102 705102832 /nfs/dbraw/zinc/10/28/32/705102832.db2.gz NNAVWLWGVFAQJG-UHFFFAOYSA-N -1 3 366.248 3.247 20 0 FGADHM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccc(N3CCSCC3)cc2)c1 ZINC000176712337 705587219 /nfs/dbraw/zinc/58/72/19/705587219.db2.gz HRHNXZMLXHYAJL-UHFFFAOYSA-N -1 3 366.483 3.488 20 0 FGADHM O=C(NN=c1cncc(Cl)[n-]1)N[C@@H]1CCCOc2c(Cl)cccc21 ZINC000181075089 705770160 /nfs/dbraw/zinc/77/01/60/705770160.db2.gz SLBJVTSHECOUNU-LLVKDONJSA-N -1 3 368.224 3.323 20 0 FGADHM COC1(CNC(=O)NN=c2[n-]c(Cl)c(Cl)cc2Cl)CCC1 ZINC000181811470 705810103 /nfs/dbraw/zinc/81/01/03/705810103.db2.gz MNURPTKYSLDQIN-UHFFFAOYSA-N -1 3 353.637 3.237 20 0 FGADHM O=C([N-]N1Cc2ccccc2C1=O)c1cc(Br)ccc1Cl ZINC000183885146 705908423 /nfs/dbraw/zinc/90/84/23/705908423.db2.gz QYBXTQFNTOYTED-UHFFFAOYSA-N -1 3 365.614 3.403 20 0 FGADHM O=S(=O)(/C=C/c1cccc(Cl)c1)[N-]c1cnn(Cc2ccncc2)c1 ZINC000184233856 705924729 /nfs/dbraw/zinc/92/47/29/705924729.db2.gz QSMVHIAPELWNAR-RMKNXTFCSA-N -1 3 374.853 3.392 20 0 FGADHM CCCOc1ccc(NC(=O)N[N-]C(=O)c2ncccc2C)cc1Cl ZINC000184466518 712672349 /nfs/dbraw/zinc/67/23/49/712672349.db2.gz SSTXCRAFMUMKMH-UHFFFAOYSA-N -1 3 362.817 3.299 20 0 FGADHM C[C@@H]1CCC[C@@H]1CC(=O)N[N-]C(=O)c1ccc(F)cc1Br ZINC000184669326 712674517 /nfs/dbraw/zinc/67/45/17/712674517.db2.gz CLKXSLAZWHBINL-NXEZZACHSA-N -1 3 357.223 3.176 20 0 FGADHM O=C(N[N-]C(=O)c1ccc(F)cc1Br)Nc1ccccc1F ZINC000186423705 712718663 /nfs/dbraw/zinc/71/86/63/712718663.db2.gz MXMSDRDPBICSFX-UHFFFAOYSA-N -1 3 370.153 3.194 20 0 FGADHM C[C@H]1CC[C@H](CCC(=O)[N-]OCc2ccc(F)cc2Br)O1 ZINC000186650681 712724327 /nfs/dbraw/zinc/72/43/27/712724327.db2.gz IKUAIXATFNIKDT-GXFFZTMASA-N -1 3 360.223 3.484 20 0 FGADHM N#C/C(=C\c1ccc([O-])cc1)C(=O)NCc1ccc(Br)cc1 ZINC000188299834 712766756 /nfs/dbraw/zinc/76/67/56/712766756.db2.gz JKAQFOOYOGBDIQ-NTEUORMPSA-N -1 3 357.207 3.378 20 0 FGADHM CS(=O)(=O)Cc1ccccc1CNCc1c([O-])ccc(Cl)c1F ZINC000191286208 712833448 /nfs/dbraw/zinc/83/34/48/712833448.db2.gz JKQLFOVOZFMLBT-UHFFFAOYSA-N -1 3 357.834 3.019 20 0 FGADHM O=S(=O)([N-][C@@H]1C[C@H]2OCCC[C@@H]12)c1ccc(Cl)cc1C(F)(F)F ZINC000249778608 713669602 /nfs/dbraw/zinc/66/96/02/713669602.db2.gz KUPAAKCISQJMKG-MVWJERBFSA-N -1 3 369.792 3.205 20 0 FGADHM CN1C(=O)C[C@H](NCc2cccc(C(=O)[O-])c2)[C@H]1c1ccc(Cl)cc1 ZINC000263450127 713746338 /nfs/dbraw/zinc/74/63/38/713746338.db2.gz ZHAZMTWYCCJZGS-FUHWJXTLSA-N -1 3 358.825 3.100 20 0 FGADHM Cc1cnc(Cl)c([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000318798422 713809472 /nfs/dbraw/zinc/80/94/72/713809472.db2.gz AMGIXRQGOJDDSG-UHFFFAOYSA-N -1 3 362.194 3.406 20 0 FGADHM COc1ccc(C(=O)Nc2n[n-]c(-c3ccco3)n2)cc1Br ZINC000641893616 717937098 /nfs/dbraw/zinc/93/70/98/717937098.db2.gz QNVZWKGYZJYHQJ-UHFFFAOYSA-N -1 3 363.171 3.088 20 0 FGADHM O=S(=O)([N-]C[C@@H]1CCC=CO1)c1c(Cl)cccc1Br ZINC000380111583 713976350 /nfs/dbraw/zinc/97/63/50/713976350.db2.gz HVWBCMDUTVMGLQ-VIFPVBQESA-N -1 3 366.664 3.074 20 0 FGADHM Cc1sc(Br)cc1S(=O)(=O)[N-][C@@H]1CCCC1(F)F ZINC000398393085 713992110 /nfs/dbraw/zinc/99/21/10/713992110.db2.gz XMYGAFWZTBCBTA-MRVPVSSYSA-N -1 3 360.245 3.285 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]C[C@@H](c2cccc(Cl)c2)N2CCCC2)o1 ZINC000444065142 714033162 /nfs/dbraw/zinc/03/31/62/714033162.db2.gz NJVUYTISVDOGIT-INIZCTEOSA-N -1 3 368.886 3.357 20 0 FGADHM CC(C)n1ncc2c1C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)CC2 ZINC000522052765 714167526 /nfs/dbraw/zinc/16/75/26/714167526.db2.gz NPRIFEZMCJXRCH-GFCCVEGCSA-N -1 3 371.865 3.092 20 0 FGADHM O=S(=O)([N-][C@@H]1CCCN(c2cccc(F)c2)C1)c1ccc(F)cc1F ZINC000522549641 714192242 /nfs/dbraw/zinc/19/22/42/714192242.db2.gz CQPGSZFEOZRBEZ-CQSZACIVSA-N -1 3 370.396 3.051 20 0 FGADHM O=C(NCCc1ccc(Br)cc1)c1cc(=O)c2ccccc2[n-]1 ZINC000522673751 714199020 /nfs/dbraw/zinc/19/90/20/714199020.db2.gz ODYQDSURZHBPDX-UHFFFAOYSA-N -1 3 371.234 3.263 20 0 FGADHM COC(=O)c1csc(S(=O)(=O)[N-][C@@H](C)C(C)(C)c2ccccc2)c1 ZINC000524121118 714268523 /nfs/dbraw/zinc/26/85/23/714268523.db2.gz KVVGNFBBANMOBC-LBPRGKRZSA-N -1 3 367.492 3.179 20 0 FGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000526130562 714408594 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CO[C@@](C)(CNC(=O)c1cc([O-])ccc1Cl)COCc1ccccc1 ZINC000617680389 714681662 /nfs/dbraw/zinc/68/16/62/714681662.db2.gz GVDJHFBATJYHLH-IBGZPJMESA-N -1 3 363.841 3.397 20 0 FGADHM CCOC(=O)c1ncc(NC(=O)c2csc(-c3ccc(C)cc3)n2)[n-]1 ZINC000619447238 714836509 /nfs/dbraw/zinc/83/65/09/714836509.db2.gz QOQPRWXAFKMKLA-UHFFFAOYSA-N -1 3 356.407 3.271 20 0 FGADHM CCOC(=O)c1nc(NC(=O)c2csc(-c3ccc(C)cc3)n2)c[n-]1 ZINC000619447238 714836511 /nfs/dbraw/zinc/83/65/11/714836511.db2.gz QOQPRWXAFKMKLA-UHFFFAOYSA-N -1 3 356.407 3.271 20 0 FGADHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N(CCCO)Cc1ccccc1 ZINC000621919877 715036925 /nfs/dbraw/zinc/03/69/25/715036925.db2.gz XDYOCDVYMSQLGG-UHFFFAOYSA-N -1 3 353.340 3.436 20 0 FGADHM C[C@H](NC(=O)c1cc([O-])cc(C(F)(F)F)c1)[C@H](O)Cc1ccccc1 ZINC000621927176 715037399 /nfs/dbraw/zinc/03/73/99/715037399.db2.gz GYCFLHQCQPWIMK-MEDUHNTESA-N -1 3 353.340 3.133 20 0 FGADHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000622102171 715053211 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CC[C@@H](c1nnc([N-]C(=O)c2cn(C3CC3)nn2)s1)c1ccccc1 ZINC000625344244 715710808 /nfs/dbraw/zinc/71/08/08/715710808.db2.gz JBURTNGQRXHIDM-CYBMUJFWSA-N -1 3 354.439 3.259 20 0 FGADHM COc1cc(F)ccc1S(=O)(=O)[N-][C@H](CCc1ccccc1)C(F)F ZINC000625426466 715730600 /nfs/dbraw/zinc/73/06/00/715730600.db2.gz ZLNYISBZNCXQGO-CQSZACIVSA-N -1 3 373.396 3.379 20 0 FGADHM O=C(NCC1(CCO)CCCCC1)c1cc([O-])cc(Br)c1 ZINC000626104071 715849038 /nfs/dbraw/zinc/84/90/38/715849038.db2.gz DGRFLLRRWMAENH-UHFFFAOYSA-N -1 3 356.260 3.217 20 0 FGADHM Cc1cccc([O-])c1C(=O)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000626419641 715903211 /nfs/dbraw/zinc/90/32/11/715903211.db2.gz MJSSMZJPLCCLMV-GFCCVEGCSA-N -1 3 353.344 3.393 20 0 FGADHM CCCCSCC(=O)Nc1cc(I)ccc1[O-] ZINC000748309089 722684091 /nfs/dbraw/zinc/68/40/91/722684091.db2.gz HAJTWFKGXVVXAM-UHFFFAOYSA-N -1 3 365.236 3.469 20 0 FGADHM CCO[C@@H](CS(=O)(=O)[N-]c1cc(NC(=O)CC)ccc1Cl)C1CC1 ZINC000629287553 716252382 /nfs/dbraw/zinc/25/23/82/716252382.db2.gz 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BZRNPRJQPFZQSJ-QMMMGPOBSA-N -1 3 372.220 3.141 20 0 FGADHM CCCSc1cccc(NC(=O)c2c(C)[n-]c(=O)nc2SC)n1 ZINC000633788847 716995182 /nfs/dbraw/zinc/99/51/82/716995182.db2.gz STCANIDCIWKIMM-UHFFFAOYSA-N -1 3 350.469 3.362 20 0 FGADHM COc1cc(C(=O)N2CCC3(CCSCC3)CC2)cc(OC)c1[O-] ZINC000633939052 717011016 /nfs/dbraw/zinc/01/10/16/717011016.db2.gz IRKOMIYTCKQLCB-UHFFFAOYSA-N -1 3 351.468 3.159 20 0 FGADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)C[C@@H]2OCc3cc(Cl)ccc32)n1 ZINC000636111805 717232949 /nfs/dbraw/zinc/23/29/49/717232949.db2.gz LKDSCMFHSZCVPI-AWEZNQCLSA-N -1 3 361.829 3.157 20 0 FGADHM Cc1ccc(OCCCC(=O)N2Cc3nc(C)[n-]c(=O)c3C2)c(Cl)c1 ZINC000636283869 717257253 /nfs/dbraw/zinc/25/72/53/717257253.db2.gz JUWYXAZPQIAVPO-UHFFFAOYSA-N -1 3 361.829 3.154 20 0 FGADHM O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)c1cc(Br)cs1 ZINC000636319022 717262098 /nfs/dbraw/zinc/26/20/98/717262098.db2.gz JMCGFTJROOAQII-UHFFFAOYSA-N -1 3 368.256 3.204 20 0 FGADHM Cc1cc(C(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)c(C(F)(F)F)o1 ZINC000636320109 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CC(=O)c1cccc(NC(=O)c2cc(Cl)nc(N3CCCC3)c2)c1[O-] ZINC000816620585 727181451 /nfs/dbraw/zinc/18/14/51/727181451.db2.gz BGSPIDICZUWQCA-UHFFFAOYSA-N -1 3 359.813 3.496 20 0 FGADHM O=C([N-]C[C@@H]1Cc2ccccc2N1CC[C@@H]1CCCCO1)C(F)(F)F ZINC000817290627 727236849 /nfs/dbraw/zinc/23/68/49/727236849.db2.gz ABRMEGBZDWXWON-GJZGRUSLSA-N -1 3 356.388 3.055 20 0 FGADHM O=C([N-]OCC1CC1)c1c[nH]c2c(Cl)cc(Br)cc2c1=O ZINC000817339335 727240757 /nfs/dbraw/zinc/24/07/57/727240757.db2.gz FBYKDIQZLWPDJW-UHFFFAOYSA-N -1 3 371.618 3.015 20 0 FGADHM O=C(NOCC1CC1)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000817339335 727240760 /nfs/dbraw/zinc/24/07/60/727240760.db2.gz FBYKDIQZLWPDJW-UHFFFAOYSA-N -1 3 371.618 3.015 20 0 FGADHM Cc1sc2c(cccc2C)c1S(=O)(=O)NN=c1nc(C)cc(C)[n-]1 ZINC000817347627 727241245 /nfs/dbraw/zinc/24/12/45/727241245.db2.gz COVSSIHNNTVXEJ-UHFFFAOYSA-N -1 3 362.480 3.230 20 0 FGADHM C[C@@H](OC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1ccc(Cl)c(Cl)c1 ZINC000820502542 728999867 /nfs/dbraw/zinc/99/98/67/728999867.db2.gz 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ZINC000821492722 729093159 /nfs/dbraw/zinc/09/31/59/729093159.db2.gz UUOQHMAGMLUVAU-UHFFFAOYSA-N -1 3 357.801 3.100 20 0 FGADHM Cc1nc(-c2ccccc2)oc1C(=O)Nc1sccc1-c1nnn[n-]1 ZINC000822418680 729173309 /nfs/dbraw/zinc/17/33/09/729173309.db2.gz CYCQJEMDEYTGEN-UHFFFAOYSA-N -1 3 352.379 3.144 20 0 FGADHM Cc1nc(-c2ccccc2)oc1C(=O)Nc1sccc1-c1nn[n-]n1 ZINC000822418680 729173312 /nfs/dbraw/zinc/17/33/12/729173312.db2.gz CYCQJEMDEYTGEN-UHFFFAOYSA-N -1 3 352.379 3.144 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)O[C@@H](C1CCCC1)C(F)(F)F ZINC000823108675 729253000 /nfs/dbraw/zinc/25/30/00/729253000.db2.gz PHONPSSHSJCHDW-AWEZNQCLSA-N -1 3 354.332 3.074 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)O[C@@H](C1CCCC1)C(F)(F)F ZINC000823108675 729253003 /nfs/dbraw/zinc/25/30/03/729253003.db2.gz PHONPSSHSJCHDW-AWEZNQCLSA-N -1 3 354.332 3.074 20 0 FGADHM O=C(OCc1sc2ccccc2c1Cl)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823444275 729280943 /nfs/dbraw/zinc/28/09/43/729280943.db2.gz KWOXVBKMEKWGBI-UHFFFAOYSA-N -1 3 359.798 3.420 20 0 FGADHM O=C(OCc1sc2ccccc2c1Cl)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823444275 729280945 /nfs/dbraw/zinc/28/09/45/729280945.db2.gz KWOXVBKMEKWGBI-UHFFFAOYSA-N -1 3 359.798 3.420 20 0 FGADHM O=C(c1ncc(-c2nnn[n-]2)cc1Cl)N1CCC[C@@H]1C1CCCCC1 ZINC000823498535 729285294 /nfs/dbraw/zinc/28/52/94/729285294.db2.gz TWILSZJHOUJIMA-CQSZACIVSA-N -1 3 360.849 3.100 20 0 FGADHM O=C(c1ncc(-c2nn[n-]n2)cc1Cl)N1CCC[C@@H]1C1CCCCC1 ZINC000823498535 729285295 /nfs/dbraw/zinc/28/52/95/729285295.db2.gz TWILSZJHOUJIMA-CQSZACIVSA-N -1 3 360.849 3.100 20 0 FGADHM O=C(c1c[n-]c2cc(F)c(F)cc2c1=O)N1CCC2(CC2(F)F)CC1 ZINC000823968840 729314497 /nfs/dbraw/zinc/31/44/97/729314497.db2.gz CJWCUDIFQXHKMS-UHFFFAOYSA-N -1 3 354.303 3.068 20 0 FGADHM C[C@@H]1CCc2c(sc(NC(=O)[C@H]3CCCCS3)c2-c2nnn[n-]2)C1 ZINC000824970866 729366359 /nfs/dbraw/zinc/36/63/59/729366359.db2.gz YHQSRCRKEOZTGA-MWLCHTKSSA-N -1 3 363.512 3.277 20 0 FGADHM C[C@@H]1CCc2c(sc(NC(=O)[C@H]3CCCCS3)c2-c2nn[n-]n2)C1 ZINC000824970866 729366360 /nfs/dbraw/zinc/36/63/60/729366360.db2.gz YHQSRCRKEOZTGA-MWLCHTKSSA-N -1 3 363.512 3.277 20 0 FGADHM CCc1cc2c(CC(=O)N3Cc4nc(C)[n-]c(=O)c4C3)csc2s1 ZINC000825029203 729368399 /nfs/dbraw/zinc/36/83/99/729368399.db2.gz WTTUWQWVBPMNFL-UHFFFAOYSA-N -1 3 359.476 3.414 20 0 FGADHM CCCCCNC(=O)CSc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000825276031 729376729 /nfs/dbraw/zinc/37/67/29/729376729.db2.gz NGYKUZSZGXTVMY-UHFFFAOYSA-N -1 3 373.404 3.284 20 0 FGADHM CCCCCNC(=O)CSc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000825276031 729376731 /nfs/dbraw/zinc/37/67/31/729376731.db2.gz NGYKUZSZGXTVMY-UHFFFAOYSA-N -1 3 373.404 3.284 20 0 FGADHM O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)c1cc(Cl)nc(C2CC2)c1 ZINC000825304583 729377765 /nfs/dbraw/zinc/37/77/65/729377765.db2.gz CJAGNMAUSHVSJM-UHFFFAOYSA-N -1 3 358.829 3.306 20 0 FGADHM CCCc1csc(NC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000825352401 729379882 /nfs/dbraw/zinc/37/98/82/729379882.db2.gz MYRYHENRFMTHME-SNVBAGLBSA-N -1 3 357.443 3.158 20 0 FGADHM CCCc1csc(NC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000825352401 729379883 /nfs/dbraw/zinc/37/98/83/729379883.db2.gz MYRYHENRFMTHME-SNVBAGLBSA-N -1 3 357.443 3.158 20 0 FGADHM CCS[C@H]1CCC[C@H](NC(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)C1 ZINC000825669350 729390877 /nfs/dbraw/zinc/39/08/77/729390877.db2.gz VUMFYFXEFKQEBS-RYUDHWBXSA-N -1 3 365.890 3.314 20 0 FGADHM CCS[C@H]1CCC[C@H](NC(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)C1 ZINC000825669350 729390879 /nfs/dbraw/zinc/39/08/79/729390879.db2.gz VUMFYFXEFKQEBS-RYUDHWBXSA-N -1 3 365.890 3.314 20 0 FGADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)[C@@H](C)c1ccccc1 ZINC000826167972 729406222 /nfs/dbraw/zinc/40/62/22/729406222.db2.gz XXXALEQXGLGOTB-JTQLQIEISA-N -1 3 358.785 3.238 20 0 FGADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)[C@@H](C)c1ccccc1 ZINC000826167972 729406224 /nfs/dbraw/zinc/40/62/24/729406224.db2.gz XXXALEQXGLGOTB-JTQLQIEISA-N -1 3 358.785 3.238 20 0 FGADHM CS[C@@H]1CC[C@H](Nc2ccc(Br)cc2-c2nnn[n-]2)C1 ZINC000826226735 729406441 /nfs/dbraw/zinc/40/64/41/729406441.db2.gz FMWUECDTLYLJQQ-VHSXEESVSA-N -1 3 354.277 3.325 20 0 FGADHM CS[C@@H]1CC[C@H](Nc2ccc(Br)cc2-c2nn[n-]n2)C1 ZINC000826226735 729406442 /nfs/dbraw/zinc/40/64/42/729406442.db2.gz FMWUECDTLYLJQQ-VHSXEESVSA-N -1 3 354.277 3.325 20 0 FGADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)c1cc(Cl)cc(Cl)n1 ZINC000826453313 729408160 /nfs/dbraw/zinc/40/81/60/729408160.db2.gz GNSWJQGSKRPEON-UHFFFAOYSA-N -1 3 369.599 3.474 20 0 FGADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)c1cc(Cl)cc(Cl)n1 ZINC000826453313 729408161 /nfs/dbraw/zinc/40/81/61/729408161.db2.gz GNSWJQGSKRPEON-UHFFFAOYSA-N -1 3 369.599 3.474 20 0 FGADHM O=C(OCc1ccccc1-c1nnn[n-]1)[C@@H]1CCc2c1cccc2Cl ZINC000826466544 729408328 /nfs/dbraw/zinc/40/83/28/729408328.db2.gz IAVQLOAQVARKQK-OAHLLOKOSA-N -1 3 354.797 3.293 20 0 FGADHM O=C(OCc1ccccc1-c1nn[n-]n1)[C@@H]1CCc2c1cccc2Cl ZINC000826466544 729408329 /nfs/dbraw/zinc/40/83/29/729408329.db2.gz IAVQLOAQVARKQK-OAHLLOKOSA-N -1 3 354.797 3.293 20 0 FGADHM CSc1ccc([O-])c(C(=O)N(C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000829400132 729478703 /nfs/dbraw/zinc/47/87/03/729478703.db2.gz UYYSXKUFDMSZAA-LBPRGKRZSA-N -1 3 366.483 3.196 20 0 FGADHM COc1cc(C)c([N-]S(=O)(=O)c2ccc(OC3CC3)cc2)cc1OC ZINC000829629499 729496885 /nfs/dbraw/zinc/49/68/85/729496885.db2.gz CVKVFMGIKIGLFK-UHFFFAOYSA-N -1 3 363.435 3.354 20 0 FGADHM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(OC3CC3)cc2)ccc1C ZINC000829720081 729506393 /nfs/dbraw/zinc/50/63/93/729506393.db2.gz NFWVRPQCCYMBJN-UHFFFAOYSA-N -1 3 360.435 3.295 20 0 FGADHM CCc1nc(C[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)co1 ZINC000832474078 729715471 /nfs/dbraw/zinc/71/54/71/729715471.db2.gz UHHZWLMLCTVMHF-UHFFFAOYSA-N -1 3 368.764 3.388 20 0 FGADHM CCc1nc(C[N-]S(=O)(=O)c2ccc(OC)c(Cl)c2Cl)co1 ZINC000832479017 729715805 /nfs/dbraw/zinc/71/58/05/729715805.db2.gz VSVAMLJHBICQKR-UHFFFAOYSA-N -1 3 365.238 3.031 20 0 FGADHM CCN(Cc1noc(Cc2ccc([O-])c(F)c2)n1)C(=O)OC(C)(C)C ZINC000834576474 729815652 /nfs/dbraw/zinc/81/56/52/729815652.db2.gz XMWBPUAYXWWTOP-UHFFFAOYSA-N -1 3 351.378 3.262 20 0 FGADHM CC(C)=CCC[C@@H](C)NC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000836565757 729960582 /nfs/dbraw/zinc/96/05/82/729960582.db2.gz TXBHZVXUISCEEN-ZIAGYGMSSA-N -1 3 363.424 3.221 20 0 FGADHM CC(C)O[N-]C(=O)CC[C@@H](Cc1ccc(Cl)cc1)C(=O)NOC(C)C ZINC000836797987 729970437 /nfs/dbraw/zinc/97/04/37/729970437.db2.gz DKOGDBHNYJKPER-HNNXBMFYSA-N -1 3 370.877 3.191 20 0 FGADHM COc1ccc(CCC(=O)OCc2cc(=O)[n-]c(C3CC3)n2)cc1Cl ZINC000837369886 730022464 /nfs/dbraw/zinc/02/24/64/730022464.db2.gz LUPKSBBJKGKWOQ-UHFFFAOYSA-N -1 3 362.813 3.398 20 0 FGADHM O=C(OCc1sccc1Cl)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000837424672 730028072 /nfs/dbraw/zinc/02/80/72/730028072.db2.gz CWJGDYGEDCQRKR-CYBMUJFWSA-N -1 3 365.838 3.455 20 0 FGADHM O=C(OCc1cc(=O)c([O-])co1)c1c(F)ccc(SCC2CC2)c1F ZINC000838146509 730094089 /nfs/dbraw/zinc/09/40/89/730094089.db2.gz LYMXBOSMPBSLMS-UHFFFAOYSA-N -1 3 368.357 3.483 20 0 FGADHM CCC(C)(C)NC(=O)[C@H](OC(=O)c1ccc(N)c(Cl)c1[O-])C(C)C ZINC000845195421 730818332 /nfs/dbraw/zinc/81/83/32/730818332.db2.gz XRQAXSGNVOHSMF-CQSZACIVSA-N -1 3 356.850 3.114 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)[C@](C)(O)c1ccccc1 ZINC000845975408 730914168 /nfs/dbraw/zinc/91/41/68/730914168.db2.gz BCBWTGGEYFONGJ-BZNIZROVSA-N -1 3 357.834 3.054 20 0 FGADHM O=S(=O)([N-]C1CC2(CCC2)C1)c1cnc(Cl)c(Br)c1 ZINC000846036090 730922080 /nfs/dbraw/zinc/92/20/80/730922080.db2.gz XAXZEKPCHRLCKQ-UHFFFAOYSA-N -1 3 365.680 3.109 20 0 FGADHM O=C([O-])[C@]12CN(Cc3nc(C4CCCCC4)cs3)C[C@H]1COCC2 ZINC000846287952 730943848 /nfs/dbraw/zinc/94/38/48/730943848.db2.gz VUDKRIODYIPSEF-KBXCAEBGSA-N -1 3 350.484 3.114 20 0 FGADHM COc1ccc(CN2C[C@H]3CCC[C@@]3(C(=O)[O-])C2)cc1Br ZINC000846285395 730944011 /nfs/dbraw/zinc/94/40/11/730944011.db2.gz SIVWGYHPUFLTGA-MLGOLLRUSA-N -1 3 354.244 3.144 20 0 FGADHM Cc1sc2ncn([N-]C(=O)c3cc(Cl)nc(C4CC4)c3)c(=O)c2c1C ZINC000847302709 731044594 /nfs/dbraw/zinc/04/45/94/731044594.db2.gz LQPBMGNFHIIZJR-UHFFFAOYSA-N -1 3 374.853 3.385 20 0 FGADHM O=C(OCc1ccc(OCC(F)(F)F)nn1)c1cc(Cl)c(Cl)[n-]1 ZINC000847887805 731106403 /nfs/dbraw/zinc/10/64/03/731106403.db2.gz REFHPZDOPOMWKU-UHFFFAOYSA-N -1 3 370.114 3.410 20 0 FGADHM CCN1C[C@H](CSc2nnc([N-]c3ccccc3F)s2)OC1=O ZINC000848422500 731163025 /nfs/dbraw/zinc/16/30/25/731163025.db2.gz NXPZYFPZWLRWPA-SECBINFHSA-N -1 3 354.432 3.354 20 0 FGADHM CSCC1(CC[N-]S(=O)(=O)c2ccc(Cl)nc2Cl)CC1 ZINC000849428588 731258773 /nfs/dbraw/zinc/25/87/73/731258773.db2.gz YIBFMJZGBRRSQB-UHFFFAOYSA-N -1 3 355.312 3.200 20 0 FGADHM COCCN(CCF)Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000852482016 731591117 /nfs/dbraw/zinc/59/11/17/731591117.db2.gz CFRHGSIFJQQGPI-UHFFFAOYSA-N -1 3 351.403 3.075 20 0 FGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)NCc1cc(Cl)cc(Cl)c1 ZINC000854005299 731784069 /nfs/dbraw/zinc/78/40/69/731784069.db2.gz SWNFEZQAYUSSSE-UHFFFAOYSA-N -1 3 368.146 3.130 20 0 FGADHM CC(C)[C@@H](NC(=O)c1cccc2n[n-]nc21)[C@H](O)c1ccc(Cl)cc1 ZINC000856318147 732009691 /nfs/dbraw/zinc/00/96/91/732009691.db2.gz 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Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@@H](C)CCC(C)C ZINC000068564112 493841684 /nfs/dbraw/zinc/84/16/84/493841684.db2.gz YCAYURZTMXZNLN-AWEZNQCLSA-N -1 3 356.470 3.014 20 0 FGADHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N(CC)[C@@H](C)C(C)C ZINC000076269879 493857280 /nfs/dbraw/zinc/85/72/80/493857280.db2.gz QFGDACBGZWLIJO-LBPRGKRZSA-N -1 3 354.472 3.065 20 0 FGADHM CC(C)c1cccc(C(C)C)c1NC(=O)Cn1cc(Cl)c(=O)[n-]c1=O ZINC000081274062 493857896 /nfs/dbraw/zinc/85/78/96/493857896.db2.gz LRSAVVWNTFIHRH-UHFFFAOYSA-N -1 3 363.845 3.076 20 0 FGADHM CCCCCc1nnc([N-]C(=O)c2c(C)nn3c2nc(C)cc3C)s1 ZINC000076411507 493887625 /nfs/dbraw/zinc/88/76/25/493887625.db2.gz CEVOZTVUBPNXPW-UHFFFAOYSA-N -1 3 358.471 3.491 20 0 FGADHM CCN(CC)[C@@H](C[N-]S(=O)(=O)c1cc(F)cc(F)c1)c1ccsc1 ZINC000030435719 493891317 /nfs/dbraw/zinc/89/13/17/493891317.db2.gz FLDOWFYZCUNCQP-INIZCTEOSA-N -1 3 374.478 3.388 20 0 FGADHM CN(C)[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1F)c1cccc(F)c1 ZINC000069090359 493919690 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20 0 FGADHM Cc1noc(C)c1C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000063199110 494032096 /nfs/dbraw/zinc/03/20/96/494032096.db2.gz QMXFPSKSHPDWKM-UHFFFAOYSA-N -1 3 368.764 3.442 20 0 FGADHM COc1cccc(NC(=O)Cc2nc(=O)c3c(C(C)C)csc3[n-]2)c1 ZINC000069980923 494034243 /nfs/dbraw/zinc/03/42/43/494034243.db2.gz GHZWZJZLAIMBMV-UHFFFAOYSA-N -1 3 357.435 3.298 20 0 FGADHM CCN(CC)C(=O)Cc1ccc(NC(=O)c2cc(-c3ccco3)[n-]n2)cc1 ZINC000033073310 494042123 /nfs/dbraw/zinc/04/21/23/494042123.db2.gz AJQIIOXUTJIEIY-UHFFFAOYSA-N -1 3 366.421 3.333 20 0 FGADHM CCN(CC)C(=O)Cc1ccc(NC(=O)c2cc(-c3ccco3)n[n-]2)cc1 ZINC000033073310 494042127 /nfs/dbraw/zinc/04/21/27/494042127.db2.gz AJQIIOXUTJIEIY-UHFFFAOYSA-N -1 3 366.421 3.333 20 0 FGADHM O=S(=O)([N-]C1(c2cccc(Br)c2)CC1)c1cccs1 ZINC000077399597 494076112 /nfs/dbraw/zinc/07/61/12/494076112.db2.gz RFCUILCPDKKEBY-UHFFFAOYSA-N -1 3 358.282 3.478 20 0 FGADHM COc1ccc(CC[N-]S(=O)(=O)c2cccc(Cl)c2F)c(OC)c1 ZINC000063766705 494085328 /nfs/dbraw/zinc/08/53/28/494085328.db2.gz 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ZTXLAZBBNYNPQP-HNNXBMFYSA-N -1 3 374.853 3.356 20 0 FGADHM Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000091080558 494526511 /nfs/dbraw/zinc/52/65/11/494526511.db2.gz GBHFTFGWIXTULR-HNNXBMFYSA-N -1 3 355.438 3.423 20 0 FGADHM COc1cccc(C(=O)N[C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)c1[O-] ZINC000091155280 494541257 /nfs/dbraw/zinc/54/12/57/494541257.db2.gz YMJNVNRQHGJUGP-RHSMWYFYSA-N -1 3 365.788 3.453 20 0 FGADHM Cc1nnc([C@H](C)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)o1 ZINC000079881277 494542661 /nfs/dbraw/zinc/54/26/61/494542661.db2.gz SHBVPULNQFXFNL-JTQLQIEISA-N -1 3 364.833 3.149 20 0 FGADHM Cc1nc(C)c(CCC(=O)N(Cc2ccc(Cl)cc2)C2CC2)c(=O)[n-]1 ZINC000074477586 494544761 /nfs/dbraw/zinc/54/47/61/494544761.db2.gz VHXKTKFDMBRMHI-UHFFFAOYSA-N -1 3 359.857 3.164 20 0 FGADHM C[C@@H](NC(=O)CCn1[n-]c(=O)c2ccccc2c1=O)c1ccccc1Cl ZINC000022979561 494544820 /nfs/dbraw/zinc/54/48/20/494544820.db2.gz MRGKVWLMLALCPB-GFCCVEGCSA-N -1 3 371.824 3.023 20 0 FGADHM CCCCn1c(=O)[n-]nc1SC[C@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000568587641 505729448 /nfs/dbraw/zinc/72/94/48/505729448.db2.gz AJWWQRIRLBXFPW-ZDUSSCGKSA-N -1 3 354.520 3.161 20 0 FGADHM Cc1ccc([O-])c(C(=O)Nc2cccn(Cc3ccc(F)cc3)c2=O)c1 ZINC000121079420 494585346 /nfs/dbraw/zinc/58/53/46/494585346.db2.gz VZLJHRXIVBIIFD-UHFFFAOYSA-N -1 3 352.365 3.302 20 0 FGADHM CO[C@@H](C[N-]S(=O)(=O)Cc1cc(Cl)ccc1F)c1ccccc1 ZINC000131362553 494594790 /nfs/dbraw/zinc/59/47/90/494594790.db2.gz XZDZEMDSGZKBMC-INIZCTEOSA-N -1 3 357.834 3.286 20 0 FGADHM COCC1CCN(C(=O)c2cc(OCc3ccccc3)ccc2[O-])CC1 ZINC000131373553 494598261 /nfs/dbraw/zinc/59/82/61/494598261.db2.gz RYPXRFKTIXPLFL-UHFFFAOYSA-N -1 3 355.434 3.470 20 0 FGADHM Cc1sc(-c2ccco2)nc1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000121110516 494599976 /nfs/dbraw/zinc/59/99/76/494599976.db2.gz KREYDJJWURQHCH-UHFFFAOYSA-N -1 3 352.379 3.144 20 0 FGADHM Cc1sc(-c2ccco2)nc1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000121110516 494599984 /nfs/dbraw/zinc/59/99/84/494599984.db2.gz KREYDJJWURQHCH-UHFFFAOYSA-N -1 3 352.379 3.144 20 0 FGADHM CN(Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[n-]1)C1(CN)CCC1 ZINC000580312356 505730468 /nfs/dbraw/zinc/73/04/68/505730468.db2.gz IZDDGEVDSPTVDD-UHFFFAOYSA-N -1 3 372.469 3.104 20 0 FGADHM C[S@@](=O)Cc1cccc(C(=O)Nc2ccc(Br)cc2[O-])c1 ZINC000125996913 494601397 /nfs/dbraw/zinc/60/13/97/494601397.db2.gz YRCDKSSGMDFIAJ-NRFANRHFSA-N -1 3 368.252 3.286 20 0 FGADHM CC(C)(C)c1ccc(C(=O)N2CCN(C(=O)c3cccc([O-])c3)CC2)s1 ZINC000121111912 494601517 /nfs/dbraw/zinc/60/15/17/494601517.db2.gz DAZWFOJLVUPONQ-UHFFFAOYSA-N -1 3 372.490 3.349 20 0 FGADHM Cc1cccc(C2=CCN(C(=O)Nc3ccc4c(c3)C(=O)[N-]C4=O)CC2)c1 ZINC000092344231 494601859 /nfs/dbraw/zinc/60/18/59/494601859.db2.gz BGTXIFWQLJRTSR-UHFFFAOYSA-N -1 3 361.401 3.200 20 0 FGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]CCC(F)(F)F)s2)cs1 ZINC000121111832 494602603 /nfs/dbraw/zinc/60/26/03/494602603.db2.gz KTMFKBGJQXCTHH-UHFFFAOYSA-N -1 3 356.416 3.411 20 0 FGADHM COc1ccc2c(c1)[n-]cc(C(=O)Nc1cccc(C[S@](C)=O)c1)c2=O ZINC000115724330 494604172 /nfs/dbraw/zinc/60/41/72/494604172.db2.gz DCZALYHZVSSVTM-AREMUKBSSA-N -1 3 370.430 3.080 20 0 FGADHM COc1ccc2c(c1)ncc(C(=O)Nc1cccc(C[S@](C)=O)c1)c2[O-] ZINC000115724330 494604181 /nfs/dbraw/zinc/60/41/81/494604181.db2.gz DCZALYHZVSSVTM-AREMUKBSSA-N -1 3 370.430 3.080 20 0 FGADHM CCc1ccc([O-])c(C(=O)N2CCOC[C@H]2CC(=O)c2cccs2)c1 ZINC000092427511 494625378 /nfs/dbraw/zinc/62/53/78/494625378.db2.gz CJUZKZRMAMIPLU-CQSZACIVSA-N -1 3 359.447 3.130 20 0 FGADHM C[C@@H]1C[C@H]1CNC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000047098054 494635154 /nfs/dbraw/zinc/63/51/54/494635154.db2.gz RUVOGGRBAFMULM-YPMHNXCESA-N -1 3 365.861 3.062 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2cc(CN3CCCC3)ccc2C)cc1 ZINC000131483537 494635537 /nfs/dbraw/zinc/63/55/37/494635537.db2.gz CJNNCNNUFRWVIW-UHFFFAOYSA-N -1 3 360.479 3.400 20 0 FGADHM Cc1cc(Br)ccc1NC(=O)C[S@@](=O)c1ccc([O-])cc1 ZINC000108086005 494645270 /nfs/dbraw/zinc/64/52/70/494645270.db2.gz VNAQMMLVUGPORC-NRFANRHFSA-N -1 3 368.252 3.209 20 0 FGADHM COc1ccccc1[C@H]([N-]S(=O)(=O)c1cccc(F)c1)c1ccccn1 ZINC000121214353 494649455 /nfs/dbraw/zinc/64/94/55/494649455.db2.gz UNCRIZMIUYFYLK-IBGZPJMESA-N -1 3 372.421 3.297 20 0 FGADHM CC1(C)C[C@@H](C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)c2ccccc2O1 ZINC000568602854 505734144 /nfs/dbraw/zinc/73/41/44/505734144.db2.gz CXUMPNIWJTYQPZ-MRXNPFEDSA-N -1 3 363.421 3.074 20 0 FGADHM CC1(C)C[C@@H](C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)c2ccccc2O1 ZINC000568602854 505734145 /nfs/dbraw/zinc/73/41/45/505734145.db2.gz CXUMPNIWJTYQPZ-MRXNPFEDSA-N -1 3 363.421 3.074 20 0 FGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]C(C)(C)c2ncc(C)s2)c1 ZINC000080282078 494663732 /nfs/dbraw/zinc/66/37/32/494663732.db2.gz RPBFYWXYPLFILW-UHFFFAOYSA-N -1 3 360.888 3.327 20 0 FGADHM Cc1cc([N-]C(=O)[C@@H](C)N2CCO[C@H](c3ccc(Cl)s3)C2)on1 ZINC000075023870 494675277 /nfs/dbraw/zinc/67/52/77/494675277.db2.gz ZHHKUBDMQNEJFO-MNOVXSKESA-N -1 3 355.847 3.098 20 0 FGADHM CCOC(=O)C1CCC(N(CC)C(=O)c2c[n-]c3ccccc3c2=O)CC1 ZINC000568605294 505734915 /nfs/dbraw/zinc/73/49/15/505734915.db2.gz MWNYTSGZCJZSIS-UHFFFAOYSA-N -1 3 370.449 3.112 20 0 FGADHM CS(=O)(=O)[N-]c1ccc(C(=O)N2CCC[C@H]2C2CCCCC2)cc1 ZINC000080375784 494688844 /nfs/dbraw/zinc/68/88/44/494688844.db2.gz ZPFPGNAPEWMZNZ-KRWDZBQOSA-N -1 3 350.484 3.243 20 0 FGADHM CC(C)C(=O)Nc1ccc(CNC(=O)c2c[n-]c3ccccc3c2=O)cc1 ZINC000025148637 494705277 /nfs/dbraw/zinc/70/52/77/494705277.db2.gz NQLASOLDNCYAPZ-UHFFFAOYSA-N -1 3 363.417 3.053 20 0 FGADHM Cc1ccn(C)c(=O)c1[N-]S(=O)(=O)c1csc2ccc(Cl)cc21 ZINC000126368782 494726278 /nfs/dbraw/zinc/72/62/78/494726278.db2.gz QRKHFHXZALKEOQ-UHFFFAOYSA-N -1 3 368.867 3.363 20 0 FGADHM COc1cccc(C(=O)Nc2ccc(C(=O)NC3CCCC3)cc2)c1[O-] ZINC000121395761 494737613 /nfs/dbraw/zinc/73/76/13/494737613.db2.gz LFXFIVZMGRPEBZ-UHFFFAOYSA-N -1 3 354.406 3.326 20 0 FGADHM COCCc1cc(NC(=O)c2cc(Cc3ccccc3)ccc2[O-])n(C)n1 ZINC000092762184 494741266 /nfs/dbraw/zinc/74/12/66/494741266.db2.gz FOYKGRAMAHOTDP-UHFFFAOYSA-N -1 3 365.433 3.158 20 0 FGADHM Cn1cc(-c2nc(=O)c3c4c(sc3[n-]2)CCCC4)c(-c2cccnc2)n1 ZINC000121419986 494746671 /nfs/dbraw/zinc/74/66/71/494746671.db2.gz DWKDQCUCGGELPQ-UHFFFAOYSA-N -1 3 363.446 3.326 20 0 FGADHM C[C@@H](CC(=O)Nc1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1)c1ccc(F)cc1 ZINC000108594864 494748912 /nfs/dbraw/zinc/74/89/12/494748912.db2.gz RRRYSOKJDPTSMT-FKIZINRSSA-N -1 3 369.396 3.013 20 0 FGADHM CCCS(=O)(=O)c1ccccc1C(=O)[N-]c1nc(C(C)(C)C)ns1 ZINC000068072457 494750525 /nfs/dbraw/zinc/75/05/25/494750525.db2.gz QLABFPNWLPSJHF-UHFFFAOYSA-N -1 3 367.496 3.272 20 0 FGADHM Cc1cccc(NCC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)n1 ZINC000080631673 494751513 /nfs/dbraw/zinc/75/15/13/494751513.db2.gz IXJVJAXQPPWEMR-UHFFFAOYSA-N -1 3 360.266 3.087 20 0 FGADHM Cc1cccc(NCC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)n1 ZINC000080631558 494752105 /nfs/dbraw/zinc/75/21/05/494752105.db2.gz XKFBPWUHZVFTLJ-UHFFFAOYSA-N -1 3 360.266 3.087 20 0 FGADHM CN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)c1 ZINC000047652296 494755395 /nfs/dbraw/zinc/75/53/95/494755395.db2.gz SBWRUISHSCMPJD-UHFFFAOYSA-N -1 3 373.261 3.496 20 0 FGADHM O=C(Nc1cc(Br)ccc1[O-])C1C[C@H]2CCC[C@@H](C1)C2=O ZINC000126457315 494757806 /nfs/dbraw/zinc/75/78/06/494757806.db2.gz FNWANOWQYJIMSC-ZACCUICWSA-N -1 3 352.228 3.489 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1cccc(F)c1F)c1ccccc1-n1cccn1 ZINC000131883872 494762196 /nfs/dbraw/zinc/76/21/96/494762196.db2.gz PGVYCWQBSCUGSL-LBPRGKRZSA-N -1 3 363.389 3.190 20 0 FGADHM CO[C@H](CNC(=O)c1cc(NC(C)=O)ccc1[O-])c1ccc(Cl)cc1 ZINC000075434939 494762486 /nfs/dbraw/zinc/76/24/86/494762486.db2.gz YQKPFVLGGAOCQV-QGZVFWFLSA-N -1 3 362.813 3.122 20 0 FGADHM CC(C)Oc1ccc(CCNC(=O)c2c[n-]c3ccccc3c2=O)cc1 ZINC000025892447 494786726 /nfs/dbraw/zinc/78/67/26/494786726.db2.gz VJQBNJQQWUVDBU-UHFFFAOYSA-N -1 3 350.418 3.288 20 0 FGADHM COc1ccc(C(=O)N2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)c([O-])c1 ZINC000092929440 494790042 /nfs/dbraw/zinc/79/00/42/494790042.db2.gz KIAOYOQTHVOLBJ-MAUKXSAKSA-N -1 3 359.397 3.268 20 0 FGADHM C[C@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)c1ccc([O-])c(Cl)c1 ZINC000116467598 494793038 /nfs/dbraw/zinc/79/30/38/494793038.db2.gz GOUDZUOSUZGHJQ-GUYCJALGSA-N -1 3 359.857 3.081 20 0 FGADHM O=C(c1c([O-])cccc1O)N1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000092125442 494797537 /nfs/dbraw/zinc/79/75/37/494797537.db2.gz YONJAKCDVBPORH-LBPRGKRZSA-N -1 3 358.463 3.453 20 0 FGADHM O=C(Nc1ccc(OCc2ccccn2)c(F)c1)c1c([O-])cccc1O ZINC000092123812 494797564 /nfs/dbraw/zinc/79/75/64/494797564.db2.gz JVTOGIHDRDNAKI-UHFFFAOYSA-N -1 3 354.337 3.463 20 0 FGADHM O=C(NCCNC(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1)c1ccc([O-])cc1 ZINC000108891042 494800020 /nfs/dbraw/zinc/80/00/20/494800020.db2.gz NKKKLMPSOXHCHM-RTWAWAEBSA-N -1 3 374.440 3.195 20 0 FGADHM CCCn1c(=O)[n-]nc1S[C@@H](C)c1nc(-c2ccc(OC)cc2)no1 ZINC000132055525 494809551 /nfs/dbraw/zinc/80/95/51/494809551.db2.gz KDNXXLFGAFRLFE-JTQLQIEISA-N -1 3 361.427 3.306 20 0 FGADHM [O-]c1ccc(CCCc2nc(-c3ncccc3-n3cccn3)no2)cc1F ZINC000580377539 505743689 /nfs/dbraw/zinc/74/36/89/505743689.db2.gz DAKWVWVROQQWHM-UHFFFAOYSA-N -1 3 365.368 3.337 20 0 FGADHM CCc1cccc(-c2nc(CC(=O)Nc3cccc(OC)c3)no2)c1[O-] ZINC000571487976 505744417 /nfs/dbraw/zinc/74/44/17/505744417.db2.gz NYWKPNKEKKTNIZ-UHFFFAOYSA-N -1 3 353.378 3.194 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N[C@H]2CCSc3ccccc32)c([O-])c1 ZINC000116652517 494832410 /nfs/dbraw/zinc/83/24/10/494832410.db2.gz FHZQFOYIEHBDHL-INIZCTEOSA-N -1 3 370.474 3.174 20 0 FGADHM CC(=O)NCc1ccc(S(=O)(=O)[N-][C@H]2CCCC[C@@H]2C(C)(C)C)s1 ZINC000026837442 494840367 /nfs/dbraw/zinc/84/03/67/494840367.db2.gz XXUPYAWUPFSHNP-GJZGRUSLSA-N -1 3 372.556 3.267 20 0 FGADHM CCc1ccc(S(=O)(=O)[N-]c2cccc(C[S@@](C)=O)c2C)cc1 ZINC000116711942 494842569 /nfs/dbraw/zinc/84/25/69/494842569.db2.gz TWESBSJDERHAOU-QFIPXVFZSA-N -1 3 351.493 3.237 20 0 FGADHM Cc1ccc(C(=O)N2CCN(c3nc4ccccc4s3)CC2)c([O-])c1 ZINC000121727266 494846243 /nfs/dbraw/zinc/84/62/43/494846243.db2.gz OJVJZHTZZVLHHT-UHFFFAOYSA-N -1 3 353.447 3.273 20 0 FGADHM Cc1ccc(C(=O)N2CSC[C@@H]2C(=O)Nc2cccc(C)c2C)c([O-])c1 ZINC000109213642 494847152 /nfs/dbraw/zinc/84/71/52/494847152.db2.gz STEOAFKNMKTZPS-QGZVFWFLSA-N -1 3 370.474 3.471 20 0 FGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)[C@@H]1C[C@H]1c1cccc(OC)c1 ZINC000093315608 494867335 /nfs/dbraw/zinc/86/73/35/494867335.db2.gz KXYUPLLUUYKMBG-UONOGXRCSA-N -1 3 358.394 3.165 20 0 FGADHM O=C(CSc1n[n-]c(-c2ccccn2)n1)Nc1nc2ccccc2s1 ZINC000117113666 494892154 /nfs/dbraw/zinc/89/21/54/494892154.db2.gz PJIPTJYXJQPMCW-UHFFFAOYSA-N -1 3 368.447 3.207 20 0 FGADHM CC(C)[C@H](NC(=O)CSc1n[n-]c(-c2ccccn2)n1)c1ccccc1 ZINC000117112373 494892399 /nfs/dbraw/zinc/89/23/99/494892399.db2.gz PPNCGPBVGJEQFZ-KRWDZBQOSA-N -1 3 367.478 3.472 20 0 FGADHM C[C@@H](NC(=O)CSc1n[n-]c(-c2ccccn2)n1)c1ccc(Cl)cc1 ZINC000117115326 494893364 /nfs/dbraw/zinc/89/33/64/494893364.db2.gz PGRWECKFMDRDTP-LLVKDONJSA-N -1 3 373.869 3.490 20 0 FGADHM CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2n[n-]c(-c3ccccn3)n2)c1C ZINC000117115185 494893483 /nfs/dbraw/zinc/89/34/83/494893483.db2.gz BIHYDWUNOMJNNA-LBPRGKRZSA-N -1 3 369.450 3.378 20 0 FGADHM COc1ccc2cccc(CC(=O)Nc3nnc(C(F)(F)F)[n-]3)c2c1 ZINC000132583095 494895432 /nfs/dbraw/zinc/89/54/32/494895432.db2.gz BEJIHXJEZWEDJR-UHFFFAOYSA-N -1 3 350.300 3.167 20 0 FGADHM COc1ccc2cccc(CC(=O)Nc3nc(C(F)(F)F)n[n-]3)c2c1 ZINC000132583095 494895435 /nfs/dbraw/zinc/89/54/35/494895435.db2.gz BEJIHXJEZWEDJR-UHFFFAOYSA-N -1 3 350.300 3.167 20 0 FGADHM CC(=O)c1cccc(O[C@H](C)C(=O)Nc2n[n-]c(-c3ccccc3F)n2)c1 ZINC000109625504 494897833 /nfs/dbraw/zinc/89/78/33/494897833.db2.gz OXQQBGQLQLSXMB-GFCCVEGCSA-N -1 3 368.368 3.219 20 0 FGADHM O=C(c1ccc2n[n-]nc2c1)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000109693148 494908832 /nfs/dbraw/zinc/90/88/32/494908832.db2.gz FYKXZPCKXXZLAR-SFHVURJKSA-N -1 3 370.840 3.197 20 0 FGADHM O=C(Nc1nc(-c2ccsc2)ns1)c1c[n-]c2ccccc2c1=O ZINC000109695146 494909564 /nfs/dbraw/zinc/90/95/64/494909564.db2.gz MJZKZSILUZHVBH-UHFFFAOYSA-N -1 3 354.416 3.360 20 0 FGADHM O=C(Nc1nc(-c2ccsc2)ns1)c1cnc2ccccc2c1[O-] ZINC000109695146 494909567 /nfs/dbraw/zinc/90/95/67/494909567.db2.gz MJZKZSILUZHVBH-UHFFFAOYSA-N -1 3 354.416 3.360 20 0 FGADHM COc1ccc(NC(=O)c2c[n-]nc2-c2ccc(Cl)cc2)cc1CO ZINC000132801056 494926622 /nfs/dbraw/zinc/92/66/22/494926622.db2.gz SZEDHJGWXAMUFF-UHFFFAOYSA-N -1 3 357.797 3.483 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]c2cc(CN3CCOCC3)ccc2C)c(C)c1 ZINC000127325432 494928371 /nfs/dbraw/zinc/92/83/71/494928371.db2.gz WMFPYLVSVYIGND-UHFFFAOYSA-N -1 3 374.506 3.245 20 0 FGADHM CCCc1ncc(CNC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)o1 ZINC000580399770 505750249 /nfs/dbraw/zinc/75/02/49/505750249.db2.gz WMGCEORENJBENS-UHFFFAOYSA-N -1 3 367.409 3.420 20 0 FGADHM CCc1cccc(C(=O)N[C@H](c2nccn2C)c2ccc(OC)cc2)c1[O-] ZINC000093910618 494933906 /nfs/dbraw/zinc/93/39/06/494933906.db2.gz BBSORRUUQRLOOW-SFHVURJKSA-N -1 3 365.433 3.216 20 0 FGADHM CC[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1ccc(CCNC(=O)CC(C)C)s1 ZINC000093909059 494933923 /nfs/dbraw/zinc/93/39/23/494933923.db2.gz UQMTYRABMARYRM-KGLIPLIRSA-N -1 3 374.572 3.166 20 0 FGADHM CCc1ccc([O-])c(C(=O)N[C@@H](CCSC)c2nnc3ccccn32)c1 ZINC000093908880 494933966 /nfs/dbraw/zinc/93/39/66/494933966.db2.gz RYDVPEOPBDMLFY-HNNXBMFYSA-N -1 3 370.478 3.222 20 0 FGADHM CN(C)Cc1ccc(CNC(=O)c2ccc(Br)c([O-])c2)cc1 ZINC000132879803 494937200 /nfs/dbraw/zinc/93/72/00/494937200.db2.gz LELUUDYRHYRCCM-UHFFFAOYSA-N -1 3 363.255 3.146 20 0 FGADHM C[C@@H](CN(C)c1ncnc2sc(-c3ccccc3)cc21)c1nnn[n-]1 ZINC000132893701 494939067 /nfs/dbraw/zinc/93/90/67/494939067.db2.gz OFDQJVSKKXJMPO-NSHDSACASA-N -1 3 351.439 3.111 20 0 FGADHM C[C@@H](CN(C)c1ncnc2sc(-c3ccccc3)cc21)c1nn[n-]n1 ZINC000132893701 494939071 /nfs/dbraw/zinc/93/90/71/494939071.db2.gz OFDQJVSKKXJMPO-NSHDSACASA-N -1 3 351.439 3.111 20 0 FGADHM NC(=O)C[C@H]1CCCCN1C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000094070085 494945991 /nfs/dbraw/zinc/94/59/91/494945991.db2.gz TVXVASFSODUTHC-GOSISDBHSA-N -1 3 366.461 3.048 20 0 FGADHM C[C@H](Oc1ccc(F)c(F)c1)C(=O)[N-]c1nncn1Cc1ccccc1 ZINC000117734536 494950344 /nfs/dbraw/zinc/95/03/44/494950344.db2.gz MTMYVBMNYKAVMA-LBPRGKRZSA-N -1 3 358.348 3.011 20 0 FGADHM COc1cccc(CS(=O)(=O)[N-][C@H](COCC(C)C)c2ccco2)c1 ZINC000117915382 494962787 /nfs/dbraw/zinc/96/27/87/494962787.db2.gz RREXKAQBCUKMAL-QGZVFWFLSA-N -1 3 367.467 3.122 20 0 FGADHM COC(=O)c1ccc([N-]C(=O)c2cnc(-c3ccccn3)s2)c(F)c1 ZINC000110298470 494966699 /nfs/dbraw/zinc/96/66/99/494966699.db2.gz ZQZSTOZWFHEOMP-UHFFFAOYSA-N -1 3 357.366 3.383 20 0 FGADHM O=C(Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)c1coc2ccccc12 ZINC000133095108 494968120 /nfs/dbraw/zinc/96/81/20/494968120.db2.gz RDFISASHLLZVOA-UHFFFAOYSA-N -1 3 374.393 3.265 20 0 FGADHM C[C@@H](NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)c1cccc(Cl)c1Cl ZINC000117990069 494968591 /nfs/dbraw/zinc/96/85/91/494968591.db2.gz SPBIIBKSBDFLNQ-MRVPVSSYSA-N -1 3 363.200 3.368 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)c1ccc(CNC(=O)C2CCCC2)cc1 ZINC000133098816 494968986 /nfs/dbraw/zinc/96/89/86/494968986.db2.gz GYYGGGWNOAFSSF-UHFFFAOYSA-N -1 3 370.424 3.268 20 0 FGADHM C[C@H](c1ccc(NC([O-])=NOCc2ccccc2)cc1)N1CCOCC1 ZINC000118029602 494971468 /nfs/dbraw/zinc/97/14/68/494971468.db2.gz JLPGJIFNEHRBOM-MRXNPFEDSA-N -1 3 355.438 3.333 20 0 FGADHM C[C@H](c1ccc(NC(=O)[N-]OCc2ccccc2)cc1)N1CCOCC1 ZINC000118029602 494971472 /nfs/dbraw/zinc/97/14/72/494971472.db2.gz JLPGJIFNEHRBOM-MRXNPFEDSA-N -1 3 355.438 3.333 20 0 FGADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)c(F)c2)cc1 ZINC000118161423 494978933 /nfs/dbraw/zinc/97/89/33/494978933.db2.gz NLAONBHJMCPSSU-UHFFFAOYSA-N -1 3 361.398 3.211 20 0 FGADHM COc1cccc(C(=O)Nc2ccc(Cc3nnc4ccccn43)cc2)c1[O-] ZINC000110512208 494985789 /nfs/dbraw/zinc/98/57/89/494985789.db2.gz JIJRVYGQGRAXTA-UHFFFAOYSA-N -1 3 374.400 3.287 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)c1cccc(OCc2cscn2)c1 ZINC000133217271 494986566 /nfs/dbraw/zinc/98/65/66/494986566.db2.gz NXWOUWBAOAGDIA-UHFFFAOYSA-N -1 3 358.394 3.497 20 0 FGADHM CCc1ccc([O-])c(C(=O)NCC2CCN(C(=O)c3ccccc3)CC2)c1 ZINC000133268563 494993004 /nfs/dbraw/zinc/99/30/04/494993004.db2.gz JAMNPJPWDRZAKN-UHFFFAOYSA-N -1 3 366.461 3.237 20 0 FGADHM COCCOCCS(=O)(=O)[N-]c1ccccc1Nc1ccc(C)cc1 ZINC000133420241 495012285 /nfs/dbraw/zinc/01/22/85/495012285.db2.gz JHEDENIVRLDBPB-UHFFFAOYSA-N -1 3 364.467 3.143 20 0 FGADHM CCO[C@@H]1C[C@H](N(C)C(=O)c2cc(NC(C)=O)ccc2[O-])C12CCCC2 ZINC000122740055 495023606 /nfs/dbraw/zinc/02/36/06/495023606.db2.gz FNHPWSSBBHVMBL-ZWKOTPCHSA-N -1 3 360.454 3.160 20 0 FGADHM CCN(CC)[C@H](C[N-]S(=O)(=O)c1cc(F)ccc1Cl)c1ccco1 ZINC000097549616 495037312 /nfs/dbraw/zinc/03/73/12/495037312.db2.gz HIMBJEJMLNPPSL-CQSZACIVSA-N -1 3 374.865 3.434 20 0 FGADHM COc1cccc(C(=O)NCC2(c3ccc(F)cc3)CCOCC2)c1[O-] ZINC000097669306 495040712 /nfs/dbraw/zinc/04/07/12/495040712.db2.gz RJDMRINWNJPFAX-UHFFFAOYSA-N -1 3 359.397 3.018 20 0 FGADHM COc1ccc(C)cc1N1C[C@@H](C(=O)Nc2cc(Cl)ccc2[O-])CC1=O ZINC000111210535 495048584 /nfs/dbraw/zinc/04/85/84/495048584.db2.gz UNAAZZYCTATZQP-LBPRGKRZSA-N -1 3 374.824 3.354 20 0 FGADHM Cc1cc([N-]C(=O)[C@H](C)Nc2ccccc2OC[C@@H]2CCCCO2)on1 ZINC000122906773 495050823 /nfs/dbraw/zinc/05/08/23/495050823.db2.gz IKPMUTXCIURVKE-GJZGRUSLSA-N -1 3 359.426 3.370 20 0 FGADHM O=C([N-]c1ccncc1F)c1ccc(C(=O)Nc2ccncc2F)s1 ZINC000122916096 495052145 /nfs/dbraw/zinc/05/21/45/495052145.db2.gz GJLUTQOSAZQYKU-UHFFFAOYSA-N -1 3 360.345 3.321 20 0 FGADHM Cc1cccc(C(C)(C)NC(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)c1 ZINC000118961883 495058835 /nfs/dbraw/zinc/05/88/35/495058835.db2.gz UHLAHEXDEQFBMH-UHFFFAOYSA-N -1 3 364.442 3.171 20 0 FGADHM CCc1nc(C[N-]S(=O)(=O)c2cc3c(c(Cl)c2)O[C@@H](C)C3)cs1 ZINC000128194169 495059521 /nfs/dbraw/zinc/05/95/21/495059521.db2.gz VZOJJZDIDCUMKV-VIFPVBQESA-N -1 3 372.899 3.161 20 0 FGADHM CS[C@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000119030763 495075520 /nfs/dbraw/zinc/07/55/20/495075520.db2.gz FKDJWBBSCAKDLA-MRVPVSSYSA-N -1 3 370.418 3.157 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N3CCCC[C@H]3c3ncc[nH]3)c[n-]c12 ZINC000128581014 495119188 /nfs/dbraw/zinc/11/91/88/495119188.db2.gz IFZCKWDUIZZUCT-HNNXBMFYSA-N -1 3 354.385 3.066 20 0 FGADHM O=C(Cc1ccc(OCc2ccccn2)cc1)NCc1ccc([O-])c(F)c1 ZINC000134213253 495122570 /nfs/dbraw/zinc/12/25/70/495122570.db2.gz ANYDFQKJSJRCJG-UHFFFAOYSA-N -1 3 366.392 3.364 20 0 FGADHM COC(=O)c1ccc(C(=O)[N-]c2nc(CN3CCC(C)CC3)cs2)o1 ZINC000123389997 495125312 /nfs/dbraw/zinc/12/53/12/495125312.db2.gz QOOMOKVTUJGAOK-UHFFFAOYSA-N -1 3 363.439 3.007 20 0 FGADHM CC(C)[C@H](C(=O)Nc1cccc([O-])c1F)S(=O)(=O)C1CCCCC1 ZINC000128632742 495126809 /nfs/dbraw/zinc/12/68/09/495126809.db2.gz VKVCFYPINZZUBP-MRXNPFEDSA-N -1 3 357.447 3.242 20 0 FGADHM Cc1ccn(-c2ccccc2CNC(=O)Cc2ccc([O-])cc2Cl)n1 ZINC000123405444 495127095 /nfs/dbraw/zinc/12/70/95/495127095.db2.gz OTPACVLEYIMJTO-UHFFFAOYSA-N -1 3 355.825 3.399 20 0 FGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)COc1ccc(Cl)c(C)c1 ZINC000134289593 495130602 /nfs/dbraw/zinc/13/06/02/495130602.db2.gz NTNMRPHSXSOBSM-UHFFFAOYSA-N -1 3 366.801 3.393 20 0 FGADHM Cc1nc2c(c(C(F)(F)F)n1)C[C@H](C(=O)Nc1cccc([O-])c1F)CC2 ZINC000128688147 495135855 /nfs/dbraw/zinc/13/58/55/495135855.db2.gz NXYNHZUWZDVHIC-SECBINFHSA-N -1 3 369.318 3.392 20 0 FGADHM CC1(C(=O)N2CCC[C@H](CC(=O)[O-])C2)CCN(Cc2ccccc2)CC1 ZINC000577609974 505763679 /nfs/dbraw/zinc/76/36/79/505763679.db2.gz WDRLZPBGAKXZQV-GOSISDBHSA-N -1 3 358.482 3.002 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N(C)Cc2cccc(OC(C)C)c2)c1 ZINC000123514697 495144493 /nfs/dbraw/zinc/14/44/93/495144493.db2.gz YFGSKZXODDGDKH-UHFFFAOYSA-N -1 3 356.422 3.410 20 0 FGADHM C[C@H](NC(=O)CN1C[C@H](C(=O)[O-])CC[C@H]1C)c1ccc(Cl)c(Cl)c1 ZINC000574399508 505764306 /nfs/dbraw/zinc/76/43/06/505764306.db2.gz BEMQREZVGVBKIW-NTZNESFSSA-N -1 3 373.280 3.356 20 0 FGADHM C[C@H](NC(=O)CN1C[C@@H](C(=O)[O-])CC[C@@H]1C)c1ccc(Cl)c(Cl)c1 ZINC000574399505 505764700 /nfs/dbraw/zinc/76/47/00/505764700.db2.gz BEMQREZVGVBKIW-GVXVVHGQSA-N -1 3 373.280 3.356 20 0 FGADHM C[C@H](NC(=O)CN1C[C@@H](C(=O)[O-])CC[C@H]1C)c1ccc(Cl)c(Cl)c1 ZINC000574399506 505764706 /nfs/dbraw/zinc/76/47/06/505764706.db2.gz BEMQREZVGVBKIW-MDZLAQPJSA-N -1 3 373.280 3.356 20 0 FGADHM Cc1ccc2oc(N3CCN(C(=O)c4ccc(C)cc4[O-])CC3)nc2c1 ZINC000112264420 495163027 /nfs/dbraw/zinc/16/30/27/495163027.db2.gz YHMMHCCDXOKNEU-UHFFFAOYSA-N -1 3 351.406 3.113 20 0 FGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1cnc(-c2ccsc2)s1 ZINC000112270867 495164558 /nfs/dbraw/zinc/16/45/58/495164558.db2.gz SNEDOEJTGSRNJB-UHFFFAOYSA-N -1 3 354.420 3.304 20 0 FGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1cnc(-c2ccsc2)s1 ZINC000112270867 495164561 /nfs/dbraw/zinc/16/45/61/495164561.db2.gz SNEDOEJTGSRNJB-UHFFFAOYSA-N -1 3 354.420 3.304 20 0 FGADHM O=C(N[C@@H]1C=CCCC1)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000134635088 495179554 /nfs/dbraw/zinc/17/95/54/495179554.db2.gz DNKFQZHXUXKGLN-OAHLLOKOSA-N -1 3 374.437 3.465 20 0 FGADHM Cn1ccnc1-c1cc(NC(=O)c2cccc(OCc3cccnc3)c2)n[n-]1 ZINC000119553430 495189304 /nfs/dbraw/zinc/18/93/04/495189304.db2.gz QEAXEFWIYANLDU-UHFFFAOYSA-N -1 3 374.404 3.037 20 0 FGADHM Cn1ccnc1-c1cc(NC(=O)c2cccc(OCc3cccnc3)c2)[n-]n1 ZINC000119553430 495189305 /nfs/dbraw/zinc/18/93/05/495189305.db2.gz QEAXEFWIYANLDU-UHFFFAOYSA-N -1 3 374.404 3.037 20 0 FGADHM CC(C)[C@@H]1CCCC[C@H]1NC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000103131157 495196802 /nfs/dbraw/zinc/19/68/02/495196802.db2.gz QGPOZRYFBCGWOQ-DZGCQCFKSA-N -1 3 356.463 3.142 20 0 FGADHM CC(C)[C@H](CC(=O)NCCNC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000103189837 495203099 /nfs/dbraw/zinc/20/30/99/495203099.db2.gz CJICAOBJDZPXEH-IBGZPJMESA-N -1 3 354.450 3.068 20 0 FGADHM O=S(=O)([N-]Cc1cc2ccccc2[nH]1)c1cccnc1C(F)(F)F ZINC000571590504 505767482 /nfs/dbraw/zinc/76/74/82/505767482.db2.gz ZYKKELLADFGCKA-UHFFFAOYSA-N -1 3 355.341 3.060 20 0 FGADHM O=S(=O)([N-][C@@H]1CCC[C@H]2OCC[C@@H]21)c1cc(C(F)(F)F)ccc1F ZINC000129216658 495212885 /nfs/dbraw/zinc/21/28/85/495212885.db2.gz WWLNRXSHFRIIQM-RAIGVLPGSA-N -1 3 367.364 3.080 20 0 FGADHM CCCCN(C)C(=O)c1sccc1S(=O)(=O)[N-]Cc1cccs1 ZINC000123975245 495215660 /nfs/dbraw/zinc/21/56/60/495215660.db2.gz VRTPLDHCFVXNKW-UHFFFAOYSA-N -1 3 372.537 3.160 20 0 FGADHM Cc1cc(Br)cc(C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)c1 ZINC000134894033 495217450 /nfs/dbraw/zinc/21/74/50/495217450.db2.gz JRAJBZIWQSZNET-UHFFFAOYSA-N -1 3 372.226 3.114 20 0 FGADHM Cc1cc(Br)cc(C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)c1 ZINC000134894033 495217453 /nfs/dbraw/zinc/21/74/53/495217453.db2.gz JRAJBZIWQSZNET-UHFFFAOYSA-N -1 3 372.226 3.114 20 0 FGADHM Cc1ccc([O-])c(CN[C@@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)n1 ZINC000103344830 495223067 /nfs/dbraw/zinc/22/30/67/495223067.db2.gz MSXXROLDXRNFBY-INIZCTEOSA-N -1 3 368.481 3.203 20 0 FGADHM CCc1cc(=O)[n-]c(CN(C)CCCc2cc(-c3ccccc3)no2)n1 ZINC000119735014 495229901 /nfs/dbraw/zinc/22/99/01/495229901.db2.gz SYYBYAXQRFPOKV-UHFFFAOYSA-N -1 3 352.438 3.464 20 0 FGADHM CCOCCCC[N-]S(=O)(=O)c1ccc(-c2csc(C)n2)s1 ZINC000119775680 495238267 /nfs/dbraw/zinc/23/82/67/495238267.db2.gz AXGHYXLRMLHKNN-UHFFFAOYSA-N -1 3 360.526 3.275 20 0 FGADHM Cc1ccc(OCCCC(=O)Nc2cc(-c3nccn3C)[n-]n2)c(C)c1 ZINC000119778361 495238736 /nfs/dbraw/zinc/23/87/36/495238736.db2.gz GKJUIHCAZSCXNZ-UHFFFAOYSA-N -1 3 353.426 3.225 20 0 FGADHM Cc1ccc(OCCCC(=O)Nc2cc(-c3nccn3C)n[n-]2)c(C)c1 ZINC000119778361 495238742 /nfs/dbraw/zinc/23/87/42/495238742.db2.gz GKJUIHCAZSCXNZ-UHFFFAOYSA-N -1 3 353.426 3.225 20 0 FGADHM COc1cccc(C(=O)Nc2cccc(NC(=O)c3ccoc3)c2)c1[O-] ZINC000124138485 495239452 /nfs/dbraw/zinc/23/94/52/495239452.db2.gz TULZNDGMBXCFSE-UHFFFAOYSA-N -1 3 352.346 3.498 20 0 FGADHM O=C(N[C@H](C[C@H]1CCOC1)c1ccccc1)c1c[n-]c2ccccc2c1=O ZINC000119825030 495249560 /nfs/dbraw/zinc/24/95/60/495249560.db2.gz QIMXPTFYRNKHCB-FOIQADDNSA-N -1 3 362.429 3.426 20 0 FGADHM COc1ccc([O-])c(C(=O)Nc2cccc(C(=O)N3CCCC3)c2C)c1 ZINC000124196122 495249562 /nfs/dbraw/zinc/24/95/62/495249562.db2.gz WMCFZMXAWRTSGB-UHFFFAOYSA-N -1 3 354.406 3.198 20 0 FGADHM C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000577654965 505771278 /nfs/dbraw/zinc/77/12/78/505771278.db2.gz QQCPGEYPWYFEAS-JTQLQIEISA-N -1 3 368.359 3.100 20 0 FGADHM CC(C)(C)c1nc2cc(NC(=O)c3ccc4c(c3)C(=O)[N-]C4=O)ccc2o1 ZINC000104143390 495270078 /nfs/dbraw/zinc/27/00/78/495270078.db2.gz HBMUSMPWPZGVNZ-UHFFFAOYSA-N -1 3 363.373 3.261 20 0 FGADHM CCCS(=O)(=O)[N-]c1cc(NC(=O)[C@@H]2C[C@@]2(C)CC)c(F)cc1F ZINC000135277986 495271660 /nfs/dbraw/zinc/27/16/60/495271660.db2.gz JXAAXRGKXVEKCT-MGPLVRAMSA-N -1 3 360.426 3.491 20 0 FGADHM CCCC(C)(C)[N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F ZINC000104739442 495301747 /nfs/dbraw/zinc/30/17/47/495301747.db2.gz ARCIGTOLWGSONL-UHFFFAOYSA-N -1 3 350.843 3.295 20 0 FGADHM Cc1nc2ccccc2n1CCC[N-]S(=O)(=O)c1ccc(C)cc1F ZINC000104733123 495301902 /nfs/dbraw/zinc/30/19/02/495301902.db2.gz WNRSIGAWMKRLII-UHFFFAOYSA-N -1 3 361.442 3.161 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)c1cc(OC)c(OC)cc1C)c1nc(C)cs1 ZINC000104760286 495303368 /nfs/dbraw/zinc/30/33/68/495303368.db2.gz SASAGDIEGDTDEE-LBPRGKRZSA-N -1 3 370.496 3.207 20 0 FGADHM COc1cccc(C(=O)NCCCOc2cccc3cccnc32)c1[O-] ZINC000113429400 495305035 /nfs/dbraw/zinc/30/50/35/495305035.db2.gz QZLSFCUYAWCQDU-UHFFFAOYSA-N -1 3 352.390 3.148 20 0 FGADHM C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1c(F)ccc([O-])c1F ZINC000568767560 505773917 /nfs/dbraw/zinc/77/39/17/505773917.db2.gz YDTRSXNIAYWXRL-BBRMVZONSA-N -1 3 360.404 3.311 20 0 FGADHM CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000104872861 495311821 /nfs/dbraw/zinc/31/18/21/495311821.db2.gz BQENJLNMGQFTNX-QFBILLFUSA-N -1 3 362.429 3.369 20 0 FGADHM CC[C@]1(C)CN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)CCO1 ZINC000135628946 495320840 /nfs/dbraw/zinc/32/08/40/495320840.db2.gz KWFCZXATMUFYIL-GOSISDBHSA-N -1 3 359.451 3.246 20 0 FGADHM COc1cccc(CS(=O)(=O)c2nc(C)c(Cc3ccccc3)[n-]2)c1 ZINC000113636905 495323835 /nfs/dbraw/zinc/32/38/35/495323835.db2.gz QMFOEVDTBMNKBI-UHFFFAOYSA-N -1 3 356.447 3.291 20 0 FGADHM COc1cccc(CS(=O)(=O)c2nc(Cc3ccccc3)c(C)[n-]2)c1 ZINC000113636905 495323836 /nfs/dbraw/zinc/32/38/36/495323836.db2.gz QMFOEVDTBMNKBI-UHFFFAOYSA-N -1 3 356.447 3.291 20 0 FGADHM C[C@H](c1cccs1)N(C)C(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000124753286 495337608 /nfs/dbraw/zinc/33/76/08/495337608.db2.gz TXWDWZPMKSZRAA-SNVBAGLBSA-N -1 3 356.444 3.092 20 0 FGADHM COc1c(C)cc(S(=O)(=O)[N-]c2ccc(C)cc2CN(C)C)cc1C ZINC000114054172 495346987 /nfs/dbraw/zinc/34/69/87/495346987.db2.gz TUIBIDLVSDFFBU-UHFFFAOYSA-N -1 3 362.495 3.483 20 0 FGADHM O=C(Cc1ccc([O-])cc1Cl)N1CCCN(Cc2ccccc2)CC1 ZINC000136095172 495355935 /nfs/dbraw/zinc/35/59/35/495355935.db2.gz SPTIPLLWNMQHOK-UHFFFAOYSA-N -1 3 358.869 3.323 20 0 FGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(NC(=O)C(C2CC2)C2CC2)ccc1F ZINC000125015939 495378378 /nfs/dbraw/zinc/37/83/78/495378378.db2.gz BXEHFUIGDFBSSO-UHFFFAOYSA-N -1 3 368.474 3.277 20 0 FGADHM COc1cc(C(=O)N2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)ccc1[O-] ZINC000580523586 505778109 /nfs/dbraw/zinc/77/81/09/505778109.db2.gz YOLSJOCEEFIQIY-OAHLLOKOSA-N -1 3 373.371 3.222 20 0 FGADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)CSCc3cscn3)cc2)n1 ZINC000130436995 495391903 /nfs/dbraw/zinc/39/19/03/495391903.db2.gz MYEKUKOVGMLZFC-UHFFFAOYSA-N -1 3 372.475 3.074 20 0 FGADHM CC(C)(C)OC(=O)[C@H]1CCCN(C(=O)Cc2ccc([O-])cc2Cl)C1 ZINC000137050190 495420364 /nfs/dbraw/zinc/42/03/64/495420364.db2.gz UOVFYONJJBBWQR-ZDUSSCGKSA-N -1 3 353.846 3.168 20 0 FGADHM COCCC1(C[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)CCC1 ZINC000125335360 495427855 /nfs/dbraw/zinc/42/78/55/495427855.db2.gz JEKREQHKFPPLIM-UHFFFAOYSA-N -1 3 369.380 3.330 20 0 FGADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1ccc(Oc2ccccc2)o1 ZINC000120694145 495436841 /nfs/dbraw/zinc/43/68/41/495436841.db2.gz AJHBQKLSSDBSMS-UHFFFAOYSA-N -1 3 361.361 3.428 20 0 FGADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1ccc(Oc2ccccc2)o1 ZINC000120694145 495436844 /nfs/dbraw/zinc/43/68/44/495436844.db2.gz AJHBQKLSSDBSMS-UHFFFAOYSA-N -1 3 361.361 3.428 20 0 FGADHM C[C@@H](O)C[C@H](C)C[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000120741928 495447056 /nfs/dbraw/zinc/44/70/56/495447056.db2.gz FRLNYWKMKPMAIK-DTWKUNHWSA-N -1 3 359.797 3.044 20 0 FGADHM CC(C)c1cc(C(=O)N2CCN(CC(C)(C)O)CC2)c([O-])c(C(C)C)c1 ZINC000106403498 495452876 /nfs/dbraw/zinc/45/28/76/495452876.db2.gz MDLQQQVBJVJPMH-UHFFFAOYSA-N -1 3 362.514 3.168 20 0 FGADHM COc1cc(C(=O)Nc2cc(C)nn2Cc2ccccc2)cc(OC)c1[O-] ZINC000138083693 495455129 /nfs/dbraw/zinc/45/51/29/495455129.db2.gz IAHYCVONJAACAP-UHFFFAOYSA-N -1 3 367.405 3.215 20 0 FGADHM Cc1ccccc1C1CCN(C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)CC1 ZINC000106501162 495458744 /nfs/dbraw/zinc/45/87/44/495458744.db2.gz SDTIVYIYMMMVBZ-UHFFFAOYSA-N -1 3 363.417 3.290 20 0 FGADHM Cc1noc(C)c1[C@@H](C)CC(=O)Nc1cccc(-c2nc(C)cc(=O)[n-]2)c1 ZINC000130925677 495467636 /nfs/dbraw/zinc/46/76/36/495467636.db2.gz DWRHTJGFTWUGQH-NSHDSACASA-N -1 3 366.421 3.482 20 0 FGADHM Cc1ccsc1[C@H]1C[C@H]1C(=O)Nc1cc(C)ccc1[N-]S(C)(=O)=O ZINC000125594970 495468461 /nfs/dbraw/zinc/46/84/61/495468461.db2.gz HLGPYPADVCARSL-QWHCGFSZSA-N -1 3 364.492 3.479 20 0 FGADHM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)Nc1cc(C)ccc1[N-]S(C)(=O)=O ZINC000125595613 495468574 /nfs/dbraw/zinc/46/85/74/495468574.db2.gz HLGPYPADVCARSL-OLZOCXBDSA-N -1 3 364.492 3.479 20 0 FGADHM CC(C)Oc1cccc(CN2CCN(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000130966790 495473688 /nfs/dbraw/zinc/47/36/88/495473688.db2.gz LWWWZQRMKIHASH-UHFFFAOYSA-N -1 3 354.450 3.137 20 0 FGADHM Cc1c(NCc2nc(C(F)(F)F)cc(=O)[n-]2)cccc1N1CCOC1=O ZINC000125697467 495484447 /nfs/dbraw/zinc/48/44/47/495484447.db2.gz SROXPTKHLOBKPZ-UHFFFAOYSA-N -1 3 368.315 3.078 20 0 FGADHM COc1ccccc1[C@@H](CNC(=O)c1c([O-])cccc1O)N1CCCCC1 ZINC000125703983 495485360 /nfs/dbraw/zinc/48/53/60/495485360.db2.gz MEUHEWNDCJONAX-MRXNPFEDSA-N -1 3 370.449 3.063 20 0 FGADHM CCOCc1ccc(C[N-]S(=O)(=O)c2c(F)cccc2Cl)cc1 ZINC000131109517 495493059 /nfs/dbraw/zinc/49/30/59/495493059.db2.gz PQMMADMJCOSAJU-UHFFFAOYSA-N -1 3 357.834 3.494 20 0 FGADHM CCCC[C@@H](CCC)CNC(=O)Nc1ccc(C[C@H]2NC(=O)[N-]C2=O)cc1 ZINC000120997771 495499554 /nfs/dbraw/zinc/49/95/54/495499554.db2.gz DIXYUIGHAHIYNZ-NVXWUHKLSA-N -1 3 374.485 3.165 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000141774471 495509797 /nfs/dbraw/zinc/50/97/97/495509797.db2.gz MRHRXUZHELJALH-MELADBBJSA-N -1 3 372.556 3.136 20 0 FGADHM C[C@@H](c1ccc(C(F)(F)F)cc1)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC000580561159 505786535 /nfs/dbraw/zinc/78/65/35/505786535.db2.gz NLRCRLCKLPCESO-FZMZJTMJSA-N -1 3 368.359 3.393 20 0 FGADHM CCC(CC)c1nnc([N-]C(=O)c2cn(Cc3ccccc3)nn2)s1 ZINC000142621278 495518058 /nfs/dbraw/zinc/51/80/58/495518058.db2.gz NLZVPFCMAIXAGN-UHFFFAOYSA-N -1 3 356.455 3.334 20 0 FGADHM O=S(=O)([N-]Cc1nc(-c2cccc(Cl)c2)no1)c1ccccc1F ZINC000115584207 495519984 /nfs/dbraw/zinc/51/99/84/495519984.db2.gz BSKHYBWNYCOXMQ-UHFFFAOYSA-N -1 3 367.789 3.008 20 0 FGADHM COc1ccc(C(=O)NCCc2ccc(-n3nc(C)cc3C)cc2)c([O-])c1 ZINC000107631321 495529830 /nfs/dbraw/zinc/52/98/30/495529830.db2.gz HRTDYUIYKSETBD-UHFFFAOYSA-N -1 3 365.433 3.176 20 0 FGADHM CS[C@@H]1CN(C(=O)c2cccc(C(F)(F)F)c2[O-])C[C@@H]1N1CCCC1 ZINC000577766857 505788804 /nfs/dbraw/zinc/78/88/04/505788804.db2.gz LIWRLRWYMKUVGM-UONOGXRCSA-N -1 3 374.428 3.063 20 0 FGADHM CCC(CC)c1cc(C[N-]S(=O)(=O)Cc2ccc(Cl)nc2)on1 ZINC000173493139 495557237 /nfs/dbraw/zinc/55/72/37/495557237.db2.gz IJZJTHBBMXCYQT-UHFFFAOYSA-N -1 3 357.863 3.246 20 0 FGADHM COc1nnc(NC(=O)c2ccc(SCc3csc(C)n3)cc2)[n-]1 ZINC000179366156 495562573 /nfs/dbraw/zinc/56/25/73/495562573.db2.gz BULQJOORVQQYEY-UHFFFAOYSA-N -1 3 361.452 3.123 20 0 FGADHM COc1nc(NC(=O)c2ccc(SCc3csc(C)n3)cc2)n[n-]1 ZINC000179366156 495562580 /nfs/dbraw/zinc/56/25/80/495562580.db2.gz BULQJOORVQQYEY-UHFFFAOYSA-N -1 3 361.452 3.123 20 0 FGADHM COc1n[n-]c(NC(=O)c2ccc(SCc3csc(C)n3)cc2)n1 ZINC000179366156 495562583 /nfs/dbraw/zinc/56/25/83/495562583.db2.gz BULQJOORVQQYEY-UHFFFAOYSA-N -1 3 361.452 3.123 20 0 FGADHM CC[C@H]1CCCCN1C(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000179379984 495568893 /nfs/dbraw/zinc/56/88/93/495568893.db2.gz VAAWAWMQBBGIAY-AWEZNQCLSA-N -1 3 357.410 3.346 20 0 FGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CCc2ccccc21 ZINC000158696246 495569923 /nfs/dbraw/zinc/56/99/23/495569923.db2.gz CUSYTCVRLIFJMH-HNNXBMFYSA-N -1 3 365.838 3.092 20 0 FGADHM CCn1c2ccc(C)cc2nc1[N-]C(=O)C(=O)NCCCc1ccccc1 ZINC000182476068 495578045 /nfs/dbraw/zinc/57/80/45/495578045.db2.gz HYGHDALLKDWVDY-UHFFFAOYSA-N -1 3 364.449 3.052 20 0 FGADHM O=C(Nc1cc(F)c(F)c(F)c1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000182494737 495585245 /nfs/dbraw/zinc/58/52/45/495585245.db2.gz XZRZXGQFYSPHQB-AWEZNQCLSA-N -1 3 364.323 3.053 20 0 FGADHM CC(C)CC1(CNC(=O)c2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)CCCC1 ZINC000158778154 495587309 /nfs/dbraw/zinc/58/73/09/495587309.db2.gz ZAZZKEMOWZDYAT-HXUWFJFHSA-N -1 3 371.481 3.078 20 0 FGADHM CCc1cc(=O)c2cc([N-]S(=O)(=O)c3ccc4c(c3)CCC4)ccc2[nH]1 ZINC000182500099 495588300 /nfs/dbraw/zinc/58/83/00/495588300.db2.gz DVKJEJSUCNGOJS-UHFFFAOYSA-N -1 3 368.458 3.380 20 0 FGADHM O=c1[n-]c(=O)n(CCCCOc2ccccc2C(F)(F)F)cc1Cl ZINC000154388096 495600928 /nfs/dbraw/zinc/60/09/28/495600928.db2.gz FDXLEVYUTQNUKJ-UHFFFAOYSA-N -1 3 362.735 3.068 20 0 FGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@@H]2CCC[C@H](C)C2)cc1OC ZINC000149863557 495601493 /nfs/dbraw/zinc/60/14/93/495601493.db2.gz VPWKTLUFYAXBTF-QWHCGFSZSA-N -1 3 369.487 3.157 20 0 FGADHM C[C@@H](NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)c1ccc(-c2ccncc2)cc1 ZINC000173598779 495605584 /nfs/dbraw/zinc/60/55/84/495605584.db2.gz HGVPWHCHUPLAPH-CYBMUJFWSA-N -1 3 371.396 3.123 20 0 FGADHM O=S(=O)([N-]C[C@H]1CC[C@@H](c2ccccc2)O1)c1cc(F)cc(F)c1 ZINC000571693202 505792268 /nfs/dbraw/zinc/79/22/68/505792268.db2.gz BOVSUTVKWMTCKU-WBVHZDCISA-N -1 3 353.390 3.163 20 0 FGADHM Cc1cnc(C[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)s1 ZINC000173637317 495626703 /nfs/dbraw/zinc/62/67/03/495626703.db2.gz NTOIYZKXGYHNJH-UHFFFAOYSA-N -1 3 354.350 3.088 20 0 FGADHM Cc1c2cc(C)ccc2[nH]c1C(=O)NCCCNC(=O)c1cccc([O-])c1 ZINC000154471127 495626683 /nfs/dbraw/zinc/62/66/83/495626683.db2.gz CQQRHFGVDNBWDB-UHFFFAOYSA-N 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/nfs/dbraw/zinc/79/70/60/505797060.db2.gz NMRBFEPQHVZYTJ-KRWDZBQOSA-N -1 3 358.482 3.449 20 0 FGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H](OC)c2ccc(F)cc2)c1 ZINC000173805765 495701557 /nfs/dbraw/zinc/70/15/57/495701557.db2.gz MPKYRDKGRHSQDW-OAHLLOKOSA-N -1 3 373.833 3.154 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NC2C[C@@H](C)C[C@H](C)C2)c1 ZINC000182815600 495714093 /nfs/dbraw/zinc/71/40/93/495714093.db2.gz SDNHKUAUSIZTNA-RYUDHWBXSA-N -1 3 371.437 3.495 20 0 FGADHM C[S@](=O)C[C@H](NC(=O)c1ccc2c(c1[O-])CCCC2)c1ccccc1 ZINC000182870388 495735053 /nfs/dbraw/zinc/73/50/53/495735053.db2.gz YKSVBUFDYXCKRJ-BVZFJXPGSA-N -1 3 357.475 3.121 20 0 FGADHM Cc1ccc(C(=O)N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)c([O-])c1 ZINC000182908051 495751673 /nfs/dbraw/zinc/75/16/73/495751673.db2.gz JSNSHTVPLOYLLA-GFCCVEGCSA-N -1 3 353.344 3.393 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N(C)C[C@H](C)c3nccs3)c[n-]c12 ZINC000182925046 495759394 /nfs/dbraw/zinc/75/93/94/495759394.db2.gz IAQGNMCHFUJVMI-NSHDSACASA-N -1 3 359.426 3.308 20 0 FGADHM CC(C)c1cc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)nn1-c1ccccc1 ZINC000154889947 495762473 /nfs/dbraw/zinc/76/24/73/495762473.db2.gz BWNUTCWDEHYJBW-UHFFFAOYSA-N -1 3 364.331 3.385 20 0 FGADHM CC(C)c1cc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)nn1-c1ccccc1 ZINC000154889947 495762479 /nfs/dbraw/zinc/76/24/79/495762479.db2.gz BWNUTCWDEHYJBW-UHFFFAOYSA-N -1 3 364.331 3.385 20 0 FGADHM Cc1nnc(SCCC(=O)Nc2cc(C)cc(Br)c2[O-])[nH]1 ZINC000182933718 495763000 /nfs/dbraw/zinc/76/30/00/495763000.db2.gz BMOOPEUEVUXCJV-UHFFFAOYSA-N -1 3 371.260 3.011 20 0 FGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)c2csc(C(C)C)n2)c1 ZINC000173983819 495775289 /nfs/dbraw/zinc/77/52/89/495775289.db2.gz FEPOYLUBKHKQTD-UHFFFAOYSA-N -1 3 353.469 3.199 20 0 FGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)c2ccc(C(F)(F)F)nc2)c1 ZINC000173984603 495776823 /nfs/dbraw/zinc/77/68/23/495776823.db2.gz WAQIDMJOEOFYDY-UHFFFAOYSA-N -1 3 373.356 3.033 20 0 FGADHM CCOc1cccc(C(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)c1 ZINC000151227901 495777812 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ZINC000155343045 495926215 /nfs/dbraw/zinc/92/62/15/495926215.db2.gz CZFKLBDGRXIMCE-QFIPXVFZSA-N -1 3 350.749 3.303 20 0 FGADHM O=C(N[C@H]1CCCOc2c(F)cccc21)c1c[n-]c2ccccc2c1=O ZINC000183318035 495929381 /nfs/dbraw/zinc/92/93/81/495929381.db2.gz FKSTXIFYDAOCFD-KRWDZBQOSA-N -1 3 352.365 3.311 20 0 FGADHM CCc1noc(C)c1NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000155385737 495941354 /nfs/dbraw/zinc/94/13/54/495941354.db2.gz HTCXVXYCLXXSFC-UHFFFAOYSA-N -1 3 354.204 3.335 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N2CC[C@@H](C)c3cccc(O)c32)c([O-])c1 ZINC000186322682 495947506 /nfs/dbraw/zinc/94/75/06/495947506.db2.gz BKZUCAICAKVOAY-CQSZACIVSA-N -1 3 368.433 3.067 20 0 FGADHM Cc1ccc(-c2nc(C)c(C(=O)[N-]c3nc4ccc(F)cn4n3)s2)o1 ZINC000174474333 495975112 /nfs/dbraw/zinc/97/51/12/495975112.db2.gz OETMYIXQQGLTLC-UHFFFAOYSA-N -1 3 357.370 3.454 20 0 FGADHM COC(=O)CCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)cc1 ZINC000171751527 496020852 /nfs/dbraw/zinc/02/08/52/496020852.db2.gz GBJACFIGCNPRAN-UHFFFAOYSA-N -1 3 359.447 3.082 20 0 FGADHM CC(C)CNC(=O)N1CCC[C@@H](CC(=O)N2CCCc3cccc([O-])c32)C1 ZINC000155655842 496026940 /nfs/dbraw/zinc/02/69/40/496026940.db2.gz YPDWOTBXHQAMOM-INIZCTEOSA-N -1 3 373.497 3.139 20 0 FGADHM Cc1ccc(-n2[n-]c(C(=O)Nc3cc(CN(C)C)ccc3C)cc2=O)cc1 ZINC000177349120 496027040 /nfs/dbraw/zinc/02/70/40/496027040.db2.gz RWNQFYOFCABXHZ-UHFFFAOYSA-N -1 3 364.449 3.096 20 0 FGADHM O=S(=O)([N-][C@H](c1ccccc1)c1cccnc1)c1cc(F)cc(F)c1 ZINC000171769228 496029689 /nfs/dbraw/zinc/02/96/89/496029689.db2.gz KCECOIDCYMSQSB-GOSISDBHSA-N -1 3 360.385 3.428 20 0 FGADHM CC(C)(CNC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)C1CCCC1 ZINC000152050162 496033096 /nfs/dbraw/zinc/03/30/96/496033096.db2.gz RKGRDHOOBGIGOH-UHFFFAOYSA-N -1 3 373.497 3.076 20 0 FGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)[C@H]1C[C@]12CCCc1ccccc12 ZINC000174635679 496042233 /nfs/dbraw/zinc/04/22/33/496042233.db2.gz UKLBXZWUJWNQCH-UZLBHIALSA-N -1 3 370.474 3.291 20 0 FGADHM Cc1ccsc1[C@@H](CO)[N-]S(=O)(=O)Cc1ccc(F)c(Cl)c1 ZINC000155721294 496046012 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Cc1cccc(CS(=O)(=O)[N-]c2ccc(-c3nnc(N(C)C)o3)cc2)c1 ZINC000186611965 496073035 /nfs/dbraw/zinc/07/30/35/496073035.db2.gz RBCGQMOTABFPSZ-UHFFFAOYSA-N -1 3 372.450 3.053 20 0 FGADHM CC(C)NC(=O)c1ccc(C(=O)Nc2n[n-]c(-c3ccccc3F)n2)cc1 ZINC000155842898 496085124 /nfs/dbraw/zinc/08/51/24/496085124.db2.gz SRKPJDWFCFCSFX-UHFFFAOYSA-N -1 3 367.384 3.001 20 0 FGADHM C[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)c1nccs1 ZINC000186687593 496108046 /nfs/dbraw/zinc/10/80/46/496108046.db2.gz CXWFWWZQHNYJLQ-MRVPVSSYSA-N -1 3 368.377 3.383 20 0 FGADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N[C@H](C)CC3CC3)cs2)c1 ZINC000183771721 496111034 /nfs/dbraw/zinc/11/10/34/496111034.db2.gz WEXBEGQTJZDWCI-GFCCVEGCSA-N -1 3 373.478 3.257 20 0 FGADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N[C@@H](C)CC3CC3)cs2)c1 ZINC000183771703 496111342 /nfs/dbraw/zinc/11/13/42/496111342.db2.gz WEXBEGQTJZDWCI-LBPRGKRZSA-N -1 3 373.478 3.257 20 0 FGADHM COc1ccc(-c2cncc(C(=O)[N-]N3Cc4ccccc4C3=O)c2)cc1 ZINC000183819208 496125900 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Cc1cc(NC(=O)c2cccc3n[n-]nc32)ccc1NC(=O)c1ccco1 ZINC000187418101 496433083 /nfs/dbraw/zinc/43/30/83/496433083.db2.gz DYVVXOAIMICESF-UHFFFAOYSA-N -1 3 361.361 3.364 20 0 FGADHM C[C@H](CNC(=O)Cc1ccc([O-])cc1Cl)N1CCc2sccc2C1 ZINC000163028844 496453724 /nfs/dbraw/zinc/45/37/24/496453724.db2.gz USIBOBSJXFJAST-GFCCVEGCSA-N -1 3 364.898 3.213 20 0 FGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H]1CCCc2cc(F)ccc21 ZINC000153437269 496455715 /nfs/dbraw/zinc/45/57/15/496455715.db2.gz MWLSOOSRZLRPBM-OAHLLOKOSA-N -1 3 357.429 3.322 20 0 FGADHM Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)c1cccc2nn[n-]c21 ZINC000187494659 496465141 /nfs/dbraw/zinc/46/51/41/496465141.db2.gz KOEJAYNMZFFXPL-UHFFFAOYSA-N -1 3 363.421 3.191 20 0 FGADHM Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)c1cccc2[n-]nnc21 ZINC000187494659 496465144 /nfs/dbraw/zinc/46/51/44/496465144.db2.gz KOEJAYNMZFFXPL-UHFFFAOYSA-N -1 3 363.421 3.191 20 0 FGADHM Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)c1cccc2n[n-]nc21 ZINC000187494659 496465149 /nfs/dbraw/zinc/46/51/49/496465149.db2.gz 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FGADHM CN(C(=O)[C@H]1CCN(C(=O)c2cc([O-])ccc2Cl)C1)c1ccccc1 ZINC000290972705 498741942 /nfs/dbraw/zinc/74/19/42/498741942.db2.gz XONUMHBWFVXALA-ZDUSSCGKSA-N -1 3 358.825 3.171 20 0 FGADHM COC1(CC[N-]S(=O)(=O)c2cc(C)c(Br)s2)CCC1 ZINC000312100348 498758466 /nfs/dbraw/zinc/75/84/66/498758466.db2.gz UGHHNHBJQLZXBF-UHFFFAOYSA-N -1 3 368.318 3.057 20 0 FGADHM Cc1nccc(-c2ccc(NC(=O)CCc3c(C)nc(C)[n-]c3=O)cc2)n1 ZINC000363329893 498764547 /nfs/dbraw/zinc/76/45/47/498764547.db2.gz RTFZEHOICIBOGW-UHFFFAOYSA-N -1 3 363.421 3.136 20 0 FGADHM CCCc1nc([C@@H](N[C@H](C)c2nc(C)cc(=O)[n-]2)c2ccccc2)no1 ZINC000366080374 498764969 /nfs/dbraw/zinc/76/49/69/498764969.db2.gz XZTBPLOXODCRSC-DYVFJYSZSA-N -1 3 353.426 3.266 20 0 FGADHM COc1ccc(CN2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])c(Br)c1 ZINC000313746895 498770601 /nfs/dbraw/zinc/77/06/01/498770601.db2.gz POKWHKCGTPMYON-VZJVUDMVSA-N -1 3 354.244 3.143 20 0 FGADHM CC(C)C(C)(C)NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000572945884 506089511 /nfs/dbraw/zinc/08/95/11/506089511.db2.gz MMBKEIMIPWAELH-UHFFFAOYSA-N -1 3 367.446 3.119 20 0 FGADHM CCN(c1ccc(C(=O)N=c2[n-]n(C)cc2Br)cc1)C(C)C ZINC000570096183 506089775 /nfs/dbraw/zinc/08/97/75/506089775.db2.gz IVSQZBHYOHGIOY-UHFFFAOYSA-N -1 3 365.275 3.092 20 0 FGADHM Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NCc1c(F)ccc([O-])c1F ZINC000294802303 498809537 /nfs/dbraw/zinc/80/95/37/498809537.db2.gz VZKBJCGKJMEBCU-QGZVFWFLSA-N -1 3 362.376 3.200 20 0 FGADHM Cc1cc(O[C@H]2CCN(C)C2=O)ccc1NCc1c(F)ccc([O-])c1F ZINC000294802288 498810303 /nfs/dbraw/zinc/81/03/03/498810303.db2.gz VZKBJCGKJMEBCU-KRWDZBQOSA-N -1 3 362.376 3.200 20 0 FGADHM Cc1ccc2[n-]cc(C(=O)N3CCCN4c5ccccc5C[C@H]4C3)c(=O)c2c1 ZINC000332867606 498818461 /nfs/dbraw/zinc/81/84/61/498818461.db2.gz CWDPKRUEHDGZBL-KRWDZBQOSA-N -1 3 373.456 3.114 20 0 FGADHM Cc1nc(-c2ccc(N[C@H]3CN(C)Cc4ccccc43)nc2)[n-]c(=O)c1C ZINC000363448912 498826904 /nfs/dbraw/zinc/82/69/04/498826904.db2.gz HWEWAJIMVMTNOH-SFHVURJKSA-N -1 3 361.449 3.460 20 0 FGADHM CC[C@H](OC1CCCCC1)C(=O)Nc1cc(C)ccc1[N-]S(C)(=O)=O ZINC000298655081 498840249 /nfs/dbraw/zinc/84/02/49/498840249.db2.gz SMFQNZVKTMBPNT-KRWDZBQOSA-N -1 3 368.499 3.433 20 0 FGADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(OCC)c(CO)c2)cc1C ZINC000327055715 498851982 /nfs/dbraw/zinc/85/19/82/498851982.db2.gz YUPYTDRHWOQQAK-UHFFFAOYSA-N -1 3 365.451 3.086 20 0 FGADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]CC[C@@H](C)c1ccccc1 ZINC000327477161 498858163 /nfs/dbraw/zinc/85/81/63/498858163.db2.gz CVIBBERVUMLPHT-CYBMUJFWSA-N -1 3 365.426 3.084 20 0 FGADHM O=C(N[C@@H]1CCCN(Cc2ncccc2[O-])C1)c1ccc2ccccc2c1 ZINC000581970767 506102316 /nfs/dbraw/zinc/10/23/16/506102316.db2.gz RFVOKSPFYCFCSA-LJQANCHMSA-N -1 3 361.445 3.335 20 0 FGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(NCc2cccc(O)c2)ccc1F ZINC000579160856 506106779 /nfs/dbraw/zinc/10/67/79/506106779.db2.gz SAABVTDJXJFNRE-UHFFFAOYSA-N -1 3 352.431 3.220 20 0 FGADHM Cc1cc([N-]C(=O)[C@@H](C)N2CCO[C@@H](c3ccc(Cl)s3)C2)on1 ZINC000363582126 498888866 /nfs/dbraw/zinc/88/88/66/498888866.db2.gz ZHHKUBDMQNEJFO-GHMZBOCLSA-N -1 3 355.847 3.098 20 0 FGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2C[C@H](C)n3ccnc32)c1Cl ZINC000333079983 498892861 /nfs/dbraw/zinc/89/28/61/498892861.db2.gz LSVFRSMPCPJQQH-ONGXEEELSA-N -1 3 360.266 3.483 20 0 FGADHM Cc1cc(C)c2[n-]cc(C(=O)N3CCOC[C@@H](C4CCC4)C3)c(=O)c2c1 ZINC000333080501 498893004 /nfs/dbraw/zinc/89/30/04/498893004.db2.gz LWWWUJPXXHJFCV-INIZCTEOSA-N -1 3 354.450 3.034 20 0 FGADHM Cn1cc(-c2cccc(NC(=O)c3cc([O-])ccc3C(F)(F)F)n2)cn1 ZINC000366372364 498896362 /nfs/dbraw/zinc/89/63/62/498896362.db2.gz MLZWRXCWYNWGJT-UHFFFAOYSA-N -1 3 362.311 3.459 20 0 FGADHM O=C(Nc1cccc([C@@H]2CNC(=O)C2)c1)c1cc2c(cc1[O-])CCCC2 ZINC000333109089 498900675 /nfs/dbraw/zinc/90/06/75/498900675.db2.gz XAKDIVHEDXPJGJ-INIZCTEOSA-N -1 3 350.418 3.127 20 0 FGADHM C[C@@H]1C[C@H](NC(=O)c2s[n-]c(=O)c2Cl)CCN1Cc1ccccc1 ZINC000283498952 498904875 /nfs/dbraw/zinc/90/48/75/498904875.db2.gz RBDJJZLJWJNJGN-DGCLKSJQSA-N -1 3 365.886 3.285 20 0 FGADHM C[C@H]1CCC[C@@H](OCC(=O)N=c2nc(-c3ccccc3Cl)[n-]n2C)C1 ZINC000579183176 506111666 /nfs/dbraw/zinc/11/16/66/506111666.db2.gz FWEQUIGYAFELMV-QWHCGFSZSA-N -1 3 362.861 3.091 20 0 FGADHM COc1cc(C(=O)N2CCC(N3CCc4cc(F)ccc43)CC2)ccc1[O-] ZINC000283556250 498921774 /nfs/dbraw/zinc/92/17/74/498921774.db2.gz NOZMHNWRKZOEKV-UHFFFAOYSA-N -1 3 370.424 3.207 20 0 FGADHM CCOc1cc(CNc2ccc(CO)cn2)cc(Br)c1[O-] ZINC000291433253 498938638 /nfs/dbraw/zinc/93/86/38/498938638.db2.gz JKVSVQJIYBWUDP-UHFFFAOYSA-N -1 3 353.216 3.053 20 0 FGADHM COc1cc(Cl)c([N-]S(=O)(=O)c2cc(Cl)cnc2N)cc1C ZINC000582024697 506114871 /nfs/dbraw/zinc/11/48/71/506114871.db2.gz JPSCFKFCJIFSIW-UHFFFAOYSA-N -1 3 362.238 3.088 20 0 FGADHM Cc1ccccc1[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1cscn1 ZINC000570206859 506115078 /nfs/dbraw/zinc/11/50/78/506115078.db2.gz DNFCYYFUWTZJKK-LLVKDONJSA-N -1 3 350.387 3.424 20 0 FGADHM COCC[C@@H]([N-]S(=O)(=O)C[C@@H]1CCCCC1(F)F)c1ccc(C)o1 ZINC000295215727 498945097 /nfs/dbraw/zinc/94/50/97/498945097.db2.gz VDLXQSUVXMKGTR-UONOGXRCSA-N -1 3 365.442 3.411 20 0 FGADHM CC1(C)Cc2ccc(C(=O)N3C[C@@H](O)C[C@@H]3c3cccc(F)c3)c([O-])c2O1 ZINC000333262062 498956931 /nfs/dbraw/zinc/95/69/31/498956931.db2.gz MHNDXZCZKPMFIC-DOTOQJQBSA-N -1 3 371.408 3.193 20 0 FGADHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CCCC[C@@H]1Cc1ccc(F)cc1 ZINC000570223918 506118874 /nfs/dbraw/zinc/11/88/74/506118874.db2.gz IZPSPGCUAOKZGW-MRXNPFEDSA-N -1 3 355.413 3.436 20 0 FGADHM CCC(CC)C(=O)N1CCC(NC(=O)c2c[n-]c3ccccc3c2=O)CC1 ZINC000299090822 498962286 /nfs/dbraw/zinc/96/22/86/498962286.db2.gz UFOYPOPNJRNWEG-UHFFFAOYSA-N -1 3 369.465 3.097 20 0 FGADHM CCc1cc(C(=O)N2CCC[C@@H](c3nnc4ccccn43)C2)ccc1[O-] ZINC000291509109 498969870 /nfs/dbraw/zinc/96/98/70/498969870.db2.gz QEMKMQSEOSPEEH-MRXNPFEDSA-N -1 3 350.422 3.017 20 0 FGADHM Cc1csc(C2([N-]S(=O)(=O)Cc3cc(C(C)(C)C)on3)CCC2)n1 ZINC000328882743 498972114 /nfs/dbraw/zinc/97/21/14/498972114.db2.gz MXPHFQFEZRIWCU-UHFFFAOYSA-N -1 3 369.512 3.236 20 0 FGADHM Cc1noc([C@H]2CCCCN2C(=O)c2c[n-]c3c(C)cccc3c2=O)n1 ZINC000288243827 498975009 /nfs/dbraw/zinc/97/50/09/498975009.db2.gz OKGHMZDVQFUSEL-OAHLLOKOSA-N -1 3 352.394 3.308 20 0 FGADHM O=S(=O)(CCC(F)(F)F)[N-][C@H](c1cccc(F)c1)c1ccccn1 ZINC000283800623 498986358 /nfs/dbraw/zinc/98/63/58/498986358.db2.gz ALYNLLJSCYDNKA-CQSZACIVSA-N -1 3 362.348 3.182 20 0 FGADHM Cc1csc(C2([N-]S(=O)(=O)C[C@@H]3CCCC3(F)F)CCC2)n1 ZINC000333397946 498996882 /nfs/dbraw/zinc/99/68/82/498996882.db2.gz IDJPUHUJJMIZSB-NSHDSACASA-N -1 3 350.456 3.186 20 0 FGADHM CCc1cc(C(=O)N2CCC(C3N=NC(=S)N3C(C)C)CC2)ccc1[O-] ZINC000291589884 499003954 /nfs/dbraw/zinc/00/39/54/499003954.db2.gz VXUYQWHBNSWQEY-UHFFFAOYSA-N -1 3 374.510 3.436 20 0 FGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000299260887 499008984 /nfs/dbraw/zinc/00/89/84/499008984.db2.gz QXPQQLSYYUCDSJ-QWQRMKEZSA-N -1 3 368.481 3.426 20 0 FGADHM CCc1ccc(CS(=O)(=O)[N-]Cc2nnc(-c3ccccc3)s2)cc1 ZINC000363834102 499017823 /nfs/dbraw/zinc/01/78/23/499017823.db2.gz LYFSLNWPCAXESO-UHFFFAOYSA-N -1 3 373.503 3.387 20 0 FGADHM CCc1cc(C(=O)Nc2ccc(CN3C(=O)CCCC3=O)cc2)ccc1[O-] ZINC000291665084 499029158 /nfs/dbraw/zinc/02/91/58/499029158.db2.gz LESBYHIKYNMWQM-UHFFFAOYSA-N -1 3 366.417 3.246 20 0 FGADHM Cc1ccnc(C2CCN(C(=O)c3ccc4c(c3[O-])CCCC4)CC2)n1 ZINC000363862355 499029746 /nfs/dbraw/zinc/02/97/46/499029746.db2.gz YTNVYHCUCCQMQO-UHFFFAOYSA-N -1 3 351.450 3.389 20 0 FGADHM Cc1ccc2[n-]cc(C(=O)N3CC[C@@H](OCc4ccncc4)C3)c(=O)c2c1 ZINC000288515307 499046301 /nfs/dbraw/zinc/04/63/01/499046301.db2.gz RAGSVNGRTREMEM-MRXNPFEDSA-N -1 3 363.417 3.075 20 0 FGADHM CCc1cc(=O)[n-]c(CN(C)[C@@H](c2ccc(Cl)cc2)c2cnccn2)n1 ZINC000363940500 499060418 /nfs/dbraw/zinc/06/04/18/499060418.db2.gz ZNOAKUDTQINTDW-IBGZPJMESA-N -1 3 369.856 3.409 20 0 FGADHM CCOC1CC2(C1)CCN(Cc1nc3c4ccccc4oc3c(=O)[n-]1)C2 ZINC000329163452 499060491 /nfs/dbraw/zinc/06/04/91/499060491.db2.gz GMZJIQDRVNFWBK-UHFFFAOYSA-N -1 3 353.422 3.473 20 0 FGADHM C[C@@H]([N-]C(=O)C(F)(F)c1ccccc1Br)c1cnn(C)c1 ZINC000295775526 499099755 /nfs/dbraw/zinc/09/97/55/499099755.db2.gz IWRABVJFDXDEGF-SECBINFHSA-N -1 3 358.186 3.152 20 0 FGADHM C[C@@H](NCc1ncc(-c2cccc(Br)c2)o1)[C@@H](C)C(=O)[O-] ZINC000570286692 506133179 /nfs/dbraw/zinc/13/31/79/506133179.db2.gz MRJACIOOQCFKEH-NXEZZACHSA-N -1 3 353.216 3.303 20 0 FGADHM Cc1c(-c2ccncc2)[n-][nH]c1=NC(=O)[C@H](C)Cn1ccc2ccccc21 ZINC000367152750 499154542 /nfs/dbraw/zinc/15/45/42/499154542.db2.gz VBALMUPDIBLNEL-CQSZACIVSA-N -1 3 359.433 3.432 20 0 FGADHM CC(C)[C@H](Sc1n[n-]c(CO)n1)C(=O)Nc1ccccc1C(F)(F)F ZINC000576336416 506133651 /nfs/dbraw/zinc/13/36/51/506133651.db2.gz HEIZOSXXWIYYGQ-LBPRGKRZSA-N -1 3 374.388 3.071 20 0 FGADHM COc1cccc(C(=O)Nc2ccc(N3C[C@H]4CC[C@@H](C3)O4)cc2)c1[O-] ZINC000372747482 499169799 /nfs/dbraw/zinc/16/97/99/499169799.db2.gz XVQORHXOAIPAMT-IYBDPMFKSA-N -1 3 354.406 3.021 20 0 FGADHM O=C(c1cc([O-])c2ccccc2c1)N1CCn2c(Br)cnc2C1 ZINC000367297575 499175859 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FGADHM COC(=O)c1ccc(F)c([N-]C(=O)c2c(C)onc2-c2cccnc2)c1 ZINC000375575348 499534078 /nfs/dbraw/zinc/53/40/78/499534078.db2.gz WYCOLOHYBCVVDN-UHFFFAOYSA-N -1 3 355.325 3.223 20 0 FGADHM O=C(NC[C@H]1CC(=O)Nc2ccccc21)c1cc([O-])ccc1C(F)(F)F ZINC000375649594 499541287 /nfs/dbraw/zinc/54/12/87/499541287.db2.gz RRCZBMFEOFVFQU-SNVBAGLBSA-N -1 3 364.323 3.267 20 0 FGADHM O=C(c1csc(=O)[n-]1)N1CCC[C@@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000375668741 499543299 /nfs/dbraw/zinc/54/32/99/499543299.db2.gz JZALVTUJVNJPIR-CQSZACIVSA-N -1 3 358.398 3.355 20 0 FGADHM Cc1c(C(=O)[O-])sc2ncnc(NCCN(C)Cc3ccccc3)c12 ZINC000386912518 499549648 /nfs/dbraw/zinc/54/96/48/499549648.db2.gz QEIDAJPMMKLTQN-UHFFFAOYSA-N -1 3 356.451 3.242 20 0 FGADHM O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@@H]2CCCN2Cc2ccccc2)c1 ZINC000390421769 499554256 /nfs/dbraw/zinc/55/42/56/499554256.db2.gz KEQPPNWHZLYFMO-INIZCTEOSA-N -1 3 355.394 3.370 20 0 FGADHM COC(=O)c1[n-]c(=N[C@@H]2CCN(Cc3ccccc3)CC2(C)C)sc1C ZINC000390683527 499554972 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O=S(=O)([N-][C@H](c1ccc(Cl)cc1)[C@@H]1CCOC1)c1cccs1 ZINC000376873345 499642551 /nfs/dbraw/zinc/64/25/51/499642551.db2.gz CWWDLAULLOFQAN-IUODEOHRSA-N -1 3 357.884 3.458 20 0 FGADHM O=C([N-]c1cc(-c2ccc(Cl)s2)on1)c1occ2c1CCOC2 ZINC000377226390 499671970 /nfs/dbraw/zinc/67/19/70/499671970.db2.gz VYXCHMGIXROAKD-UHFFFAOYSA-N -1 3 350.783 3.396 20 0 FGADHM Cc1ccc(NC(=O)NC2CCN(C(=O)c3cccc([O-])c3)CC2)cc1 ZINC000377429213 499689608 /nfs/dbraw/zinc/68/96/08/499689608.db2.gz OPATTYWWZIFQAQ-UHFFFAOYSA-N -1 3 353.422 3.127 20 0 FGADHM Cc1cc([N-]C(=O)[C@H](C)N2CCC3(C[C@H]3c3nnc(C(C)C)o3)CC2)on1 ZINC000377613250 499710483 /nfs/dbraw/zinc/71/04/83/499710483.db2.gz CDRMTOKVJRJKBX-KBPBESRZSA-N -1 3 373.457 3.086 20 0 FGADHM O=C(c1ccccc1)N1CCCN(C(=O)c2cc([O-])ccc2Cl)CC1 ZINC000377685420 499720063 /nfs/dbraw/zinc/72/00/63/499720063.db2.gz YQOHDVCKHPHMBJ-UHFFFAOYSA-N -1 3 358.825 3.034 20 0 FGADHM CS(=O)(=O)[N-]c1c[nH]nc1[C@@H]1CCCN(CCCC2CCCCC2)C1 ZINC000377689610 499720221 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COC(=O)C1(CS(=O)(=O)[N-]c2ccc3cnccc3c2)CCCCC1 ZINC000414385443 499784590 /nfs/dbraw/zinc/78/45/90/499784590.db2.gz RIRMWRASZZPJSL-UHFFFAOYSA-N -1 3 362.451 3.100 20 0 FGADHM CCOc1ccc([N-]S(=O)(=O)c2cc(OC)c(OC)cc2C)c(F)c1 ZINC000414394694 499786256 /nfs/dbraw/zinc/78/62/56/499786256.db2.gz GGWGATXDSULDAI-UHFFFAOYSA-N -1 3 369.414 3.351 20 0 FGADHM Cc1cccc(F)c1S(=O)(=O)[N-]c1ccc(OCCN(C)C)cc1F ZINC000414472124 499796601 /nfs/dbraw/zinc/79/66/01/499796601.db2.gz NPSXYZFYKSFQOO-UHFFFAOYSA-N -1 3 370.421 3.014 20 0 FGADHM CC(C)c1ccc(CN[C@H]2CCN([C@H](C(=O)[O-])c3ccccc3)C2=O)cc1 ZINC000414655608 499817806 /nfs/dbraw/zinc/81/78/06/499817806.db2.gz JXLQPPRBDMOANX-PMACEKPBSA-N -1 3 366.461 3.326 20 0 FGADHM CCN(CC(=O)Nc1c(C)cccc1C)C(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000412149433 499828209 /nfs/dbraw/zinc/82/82/09/499828209.db2.gz WBBBKJTYXMUARM-UHFFFAOYSA-N -1 3 368.433 3.312 20 0 FGADHM CCc1[n-][nH]c(=NC(=O)C2=CC[C@@H](C)CC2)c1-c1ccc2c(c1)OCO2 ZINC000412164053 499829763 /nfs/dbraw/zinc/82/97/63/499829763.db2.gz VWCHICTWURYLRH-GFCCVEGCSA-N -1 3 353.422 3.475 20 0 FGADHM CC(=O)c1ccc(C(=O)N[C@@H](C[C@H]2CCOC2)c2ccccc2)cc1[O-] ZINC000412201921 499833321 /nfs/dbraw/zinc/83/33/21/499833321.db2.gz CWFJBRVDNIJITC-BEFAXECRSA-N -1 3 353.418 3.493 20 0 FGADHM COc1ccc2c(c1)[n-]cc(C(=O)N1CCC[C@H](C(F)(F)F)[C@H]1C)c2=O ZINC000412266117 499839596 /nfs/dbraw/zinc/83/95/96/499839596.db2.gz YIKCXIHTEFOPLY-YGRLFVJLSA-N -1 3 368.355 3.340 20 0 FGADHM CC(=O)c1ccc(C(=O)NC[C@@H]2CCO[C@H]2c2ccc(F)cc2)cc1[O-] ZINC000412268438 499839810 /nfs/dbraw/zinc/83/98/10/499839810.db2.gz IZWRWMGKIPJZJT-KXBFYZLASA-N -1 3 357.381 3.242 20 0 FGADHM CC[C@]1(CNC(=O)c2ccc(C(C)=O)c([O-])c2)OCCc2ccccc21 ZINC000412354489 499848103 /nfs/dbraw/zinc/84/81/03/499848103.db2.gz IZCNDGRFMRYXCT-OAQYLSRUSA-N -1 3 353.418 3.203 20 0 FGADHM COC(=O)c1sc(NC(=O)c2ccc(C(C)=O)c([O-])c2)nc1C(C)C ZINC000412393525 499851381 /nfs/dbraw/zinc/85/13/81/499851381.db2.gz PDUAUJJEFZBIEN-UHFFFAOYSA-N -1 3 362.407 3.214 20 0 FGADHM C[C@]1(c2ccc(C(=O)NCC3(C)CCC(C)(C)CC3)cc2)NC(=O)[N-]C1=O ZINC000412614525 499868916 /nfs/dbraw/zinc/86/89/16/499868916.db2.gz PFOOIZCYUGAOKI-OAQYLSRUSA-N -1 3 371.481 3.078 20 0 FGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)c1cc(OC)cc(Cl)c1F ZINC000415358059 499888896 /nfs/dbraw/zinc/88/88/96/499888896.db2.gz SXGBUGBURWITMP-UHFFFAOYSA-N -1 3 370.764 3.467 20 0 FGADHM Cc1nc(C)c(CCC(=O)Nc2nc3c(s2)CC(C)(C)CC3)c(=O)[n-]1 ZINC000416100058 499948393 /nfs/dbraw/zinc/94/83/93/499948393.db2.gz LAMJZVHAKGBYKI-UHFFFAOYSA-N -1 3 360.483 3.342 20 0 FGADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)[C@H]3CCCC[C@@H]3C)c2)[n-]1 ZINC000424853233 499955719 /nfs/dbraw/zinc/95/57/19/499955719.db2.gz MILCLQDUJYLURZ-BBRMVZONSA-N -1 3 370.453 3.091 20 0 FGADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)[C@H]3CCCC[C@@H]3C)c2)n[n-]1 ZINC000424853233 499955723 /nfs/dbraw/zinc/95/57/23/499955723.db2.gz MILCLQDUJYLURZ-BBRMVZONSA-N -1 3 370.453 3.091 20 0 FGADHM CC[C@H](CS(=O)(=O)[N-]c1ccc(Oc2cccc(F)c2F)nc1)OC ZINC000421146901 499972318 /nfs/dbraw/zinc/97/23/18/499972318.db2.gz CUROCXCLROBICL-GFCCVEGCSA-N -1 3 372.393 3.319 20 0 FGADHM C[C@@H](CC(F)F)C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000413498476 499972386 /nfs/dbraw/zinc/97/23/86/499972386.db2.gz UWXDEZFNKXXAGE-VIFPVBQESA-N -1 3 366.405 3.132 20 0 FGADHM CC[C@@H](CS(=O)(=O)[N-]c1ccc2c(c1)OC1(CCCCC1)O2)OC ZINC000421152986 499974180 /nfs/dbraw/zinc/97/41/80/499974180.db2.gz KQSQRMWMBNJJKU-AWEZNQCLSA-N -1 3 355.456 3.285 20 0 FGADHM CO[C@@H](C)c1cccc([N-]S(=O)(=O)C[C@H](Cc2ccccc2)OC)c1 ZINC000421159639 499976667 /nfs/dbraw/zinc/97/66/67/499976667.db2.gz XCRNCEJJCJRWNL-KXBFYZLASA-N -1 3 363.479 3.393 20 0 FGADHM CO[C@H](C)c1cccc([N-]S(=O)(=O)C[C@@H](Cc2ccccc2)OC)c1 ZINC000421159637 499977317 /nfs/dbraw/zinc/97/73/17/499977317.db2.gz XCRNCEJJCJRWNL-DNVCBOLYSA-N -1 3 363.479 3.393 20 0 FGADHM CC[C@@H](CS(=O)(=O)[N-]c1cc(F)c(F)cc1N1CCCCC1)OC ZINC000421167886 499980709 /nfs/dbraw/zinc/98/07/09/499980709.db2.gz WAEYGHBKTBUYBZ-LBPRGKRZSA-N -1 3 362.442 3.122 20 0 FGADHM CCOC(=O)c1cnc([N-]C(=O)Nc2cnn([C@H](C)CC)c2C2CC2)n1C ZINC000417136622 499984186 /nfs/dbraw/zinc/98/41/86/499984186.db2.gz LUYJQFAFZFTMRB-LLVKDONJSA-N -1 3 374.445 3.286 20 0 FGADHM CN(C(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000416283308 500006809 /nfs/dbraw/zinc/00/68/09/500006809.db2.gz FIBSAASHXLGNCA-CZUORRHYSA-N -1 3 370.490 3.484 20 0 FGADHM O=C(CNC(=O)c1ccc([O-])cc1)Nc1ncc(-c2ccc(F)cc2)s1 ZINC000579428457 506170956 /nfs/dbraw/zinc/17/09/56/506170956.db2.gz GTVYSWHHITWRSD-UHFFFAOYSA-N -1 3 371.393 3.023 20 0 FGADHM CC[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1C(=O)OC)c1nccs1 ZINC000416400012 500037000 /nfs/dbraw/zinc/03/70/00/500037000.db2.gz JDLZGWPWKPLKNY-SNVBAGLBSA-N -1 3 374.871 3.013 20 0 FGADHM CCc1ccc([C@H](COC)[N-]S(=O)(=O)CCc2ccc(Cl)cc2)o1 ZINC000425212655 500045104 /nfs/dbraw/zinc/04/51/04/500045104.db2.gz YRXCCVQOKBFWAE-INIZCTEOSA-N -1 3 371.886 3.345 20 0 FGADHM COCC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(OC)c1)c1ccc(C)o1 ZINC000416453740 500045480 /nfs/dbraw/zinc/04/54/80/500045480.db2.gz GWBZLDXEEVOOQF-CQSZACIVSA-N -1 3 373.858 3.306 20 0 FGADHM C[C@@H]1CCCc2nc(S(=O)(=O)[N-]CCC3CC(OC(C)(C)C)C3)cn21 ZINC000416468479 500048642 /nfs/dbraw/zinc/04/86/42/500048642.db2.gz GBPUEUUCYCLLQL-WLYUNCDWSA-N -1 3 369.531 3.043 20 0 FGADHM CC[C@@H](C)c1nc([C@H](C)[N-]S(=O)(=O)c2c(C)cccc2Cl)n[nH]1 ZINC000416471332 500049379 /nfs/dbraw/zinc/04/93/79/500049379.db2.gz PLGGRJOLYVXOET-KOLCDFICSA-N -1 3 356.879 3.320 20 0 FGADHM CC(C)n1ncnc1C[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000416485111 500050694 /nfs/dbraw/zinc/05/06/94/500050694.db2.gz ZDELUZRDADHMDP-UHFFFAOYSA-N -1 3 364.858 3.144 20 0 FGADHM COc1cc(OC)c(S(=O)(=O)[N-]C[C@H]2CCCC2(F)F)cc1Cl ZINC000416491876 500052198 /nfs/dbraw/zinc/05/21/98/500052198.db2.gz ALDIDIPWLSLSFU-SECBINFHSA-N -1 3 369.817 3.071 20 0 FGADHM O=S(=O)([N-]CCOCC1CCCC1)c1ccccc1C(F)(F)F ZINC000416500097 500053312 /nfs/dbraw/zinc/05/33/12/500053312.db2.gz BFGQHPHKQCGVRM-UHFFFAOYSA-N -1 3 351.390 3.191 20 0 FGADHM CC1(C)C[C@H](C[N-]S(=O)(=O)c2csc(-c3ccccc3)n2)CCO1 ZINC000416503949 500053612 /nfs/dbraw/zinc/05/36/12/500053612.db2.gz SDEMSTGJHMYRDY-CYBMUJFWSA-N -1 3 366.508 3.294 20 0 FGADHM COCC1CCC([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000416582078 500066254 /nfs/dbraw/zinc/06/62/54/500066254.db2.gz AQONFVMGEPKAGF-UHFFFAOYSA-N -1 3 352.283 3.477 20 0 FGADHM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2cccc(Br)c2Cl)CS1 ZINC000416582096 500066390 /nfs/dbraw/zinc/06/63/90/500066390.db2.gz GFJYXUKPTXRXIR-JGVFFNPUSA-N -1 3 370.721 3.275 20 0 FGADHM CO[C@](C)([C@H](C)[N-]S(=O)(=O)c1cccc(Cl)c1Cl)C1CC1 ZINC000416600118 500070229 /nfs/dbraw/zinc/07/02/29/500070229.db2.gz PSNJLFGQKYCMJG-LKFCYVNXSA-N -1 3 352.283 3.475 20 0 FGADHM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]C[C@H](C)CC(F)(F)F ZINC000416609090 500072429 /nfs/dbraw/zinc/07/24/29/500072429.db2.gz UEGSNQLZMUCSKP-SNVBAGLBSA-N -1 3 355.426 3.023 20 0 FGADHM C[C@H](C[N-]S(=O)(=O)c1ccccc1OC(F)(F)F)CC(F)(F)F ZINC000416610212 500072904 /nfs/dbraw/zinc/07/29/04/500072904.db2.gz WKURKMACBDEVKA-QMMMGPOBSA-N -1 3 365.295 3.452 20 0 FGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@@H]1CCC[C@@H](CO)C1 ZINC000416669430 500081594 /nfs/dbraw/zinc/08/15/94/500081594.db2.gz XPZVVMIJEDTMJX-DGCLKSJQSA-N -1 3 357.859 3.224 20 0 FGADHM COC(=O)c1nc([N-]C(=O)c2c(F)ccc(F)c2F)sc1C1CC1 ZINC000429505745 500089553 /nfs/dbraw/zinc/08/95/53/500089553.db2.gz VZIIBBCATGWAOU-UHFFFAOYSA-N -1 3 356.325 3.477 20 0 FGADHM CO[C@@H](CN(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)C1CC1 ZINC000425391242 500092665 /nfs/dbraw/zinc/09/26/65/500092665.db2.gz DCGONHUYRAQAID-FQEVSTJZSA-N -1 3 374.506 3.344 20 0 FGADHM COc1cc(OCCN(C)C)ccc1NC(=O)c1ccc(Cl)cc1[O-] ZINC000413952657 500105557 /nfs/dbraw/zinc/10/55/57/500105557.db2.gz JEBCBIBUNWHNOM-UHFFFAOYSA-N -1 3 364.829 3.247 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)c1nc2ccccc2s1)c1nc(C)cs1 ZINC000576514681 506176352 /nfs/dbraw/zinc/17/63/52/506176352.db2.gz SCLGSGJIHAVSQH-JTQLQIEISA-N -1 3 353.494 3.491 20 0 FGADHM CC(C)(C)n1cc(CN[C@@H](Cc2c(F)cccc2Cl)C(=O)[O-])cn1 ZINC000417559226 500108810 /nfs/dbraw/zinc/10/88/10/500108810.db2.gz HPUVLHYOYUHWIA-HNNXBMFYSA-N -1 3 353.825 3.216 20 0 FGADHM COCc1nocc1C(=O)[N-]c1sc2c(c1C(=O)OC)CCCCC2 ZINC000425450513 500109636 /nfs/dbraw/zinc/10/96/36/500109636.db2.gz URIKIVIKHFOUKA-UHFFFAOYSA-N -1 3 364.423 3.190 20 0 FGADHM Cc1ccc(CN[C@H](Cn2ccc(C(F)(F)F)n2)C(=O)[O-])cc1Cl ZINC000417569101 500112293 /nfs/dbraw/zinc/11/22/93/500112293.db2.gz CIBPEGUPCXRTSU-GFCCVEGCSA-N -1 3 361.751 3.107 20 0 FGADHM C[C@@H](CCNCc1ccc(F)cc1I)CC(=O)[O-] ZINC000417576578 500114306 /nfs/dbraw/zinc/11/43/06/500114306.db2.gz ZSULADWDNWAKOP-VIFPVBQESA-N -1 3 365.186 3.021 20 0 FGADHM Cc1ccsc1C(=O)N=c1[n-]n(CC(F)(F)F)cc1Br ZINC000421684233 500116005 /nfs/dbraw/zinc/11/60/05/500116005.db2.gz XFPQYQAYVDSEOE-UHFFFAOYSA-N -1 3 368.178 3.252 20 0 FGADHM C[C@@H](OC(C)(C)C)[C@H](NCc1cc(Br)ccc1F)C(=O)[O-] ZINC000417581801 500116415 /nfs/dbraw/zinc/11/64/15/500116415.db2.gz GSBGXWCLEQSTKH-RNCFNFMXSA-N -1 3 362.239 3.335 20 0 FGADHM Cn1[n-]c(=NC(=O)N2CCC[C@@H]2c2ccccc2Cl)cc1OC(F)F ZINC000429658188 500119255 /nfs/dbraw/zinc/11/92/55/500119255.db2.gz NWPNNENGVBHNRG-GFCCVEGCSA-N -1 3 370.787 3.466 20 0 FGADHM COCC[C@H](NCc1cn(-c2ccc(C)cc2)nc1C(C)(C)C)C(=O)[O-] ZINC000417592409 500119511 /nfs/dbraw/zinc/11/95/11/500119511.db2.gz JLMZGGZFGZZMRA-KRWDZBQOSA-N -1 3 359.470 3.058 20 0 FGADHM CCCOc1ccc(Br)cc1CN[C@H](CC(F)F)C(=O)[O-] ZINC000417595272 500120618 /nfs/dbraw/zinc/12/06/18/500120618.db2.gz NTSXXCLLQXZMRV-LLVKDONJSA-N -1 3 366.202 3.436 20 0 FGADHM Cc1nn(Cc2ccccc2Cl)c(C)c1CN[C@@H]1C=C[C@@H](C(=O)[O-])C1 ZINC000417615283 500126069 /nfs/dbraw/zinc/12/60/69/500126069.db2.gz GEVGAFUPGIZTJC-GDBMZVCRSA-N -1 3 359.857 3.321 20 0 FGADHM Cc1ccc2c(CN3CCN(CC(F)(F)F)[C@H](C)C3)ccc([O-])c2n1 ZINC000429701861 500126566 /nfs/dbraw/zinc/12/65/66/500126566.db2.gz VSENEXRERXAXQT-CYBMUJFWSA-N -1 3 353.388 3.317 20 0 FGADHM O=S(=O)([N-]Cc1nnc(C2CC2)s1)c1ccc(Cl)cc1Cl ZINC000579451323 506177555 /nfs/dbraw/zinc/17/75/55/506177555.db2.gz WXUFFACWNXHPTB-UHFFFAOYSA-N -1 3 364.279 3.201 20 0 FGADHM O=C([O-])CSCCNCc1ccc(Br)cc1C(F)(F)F ZINC000417626532 500129447 /nfs/dbraw/zinc/12/94/47/500129447.db2.gz TVBTVQIXEINDQW-UHFFFAOYSA-N -1 3 372.206 3.375 20 0 FGADHM CO[C@H](CNCc1cc(C(F)(F)F)ccc1Br)CC(=O)[O-] ZINC000417637107 500132664 /nfs/dbraw/zinc/13/26/64/500132664.db2.gz MQOVFUGCZBYULP-JTQLQIEISA-N -1 3 370.165 3.047 20 0 FGADHM O=C([O-])[C@H](CNCc1ccccc1OCC(F)(F)F)Oc1ccccc1 ZINC000417642101 500135179 /nfs/dbraw/zinc/13/51/79/500135179.db2.gz TYFFRHRTAXHSGU-INIZCTEOSA-N -1 3 369.339 3.250 20 0 FGADHM CC[C@@H](CCNCc1cc(OC)c(OC)cc1Br)C(=O)[O-] ZINC000417647322 500137141 /nfs/dbraw/zinc/13/71/41/500137141.db2.gz HPUCVOYBTGFTGE-JTQLQIEISA-N -1 3 360.248 3.057 20 0 FGADHM CCn1nc(CN[C@H](Cc2ccc(C)c(C)c2)C(=O)[O-])c2ccccc21 ZINC000417653554 500139098 /nfs/dbraw/zinc/13/90/98/500139098.db2.gz QTKQVPMKLBPYSI-GOSISDBHSA-N -1 3 351.450 3.459 20 0 FGADHM CC(C)(C)OC(=O)C[C@H](NCc1ccc(F)c(C(F)(F)F)c1)C(=O)[O-] ZINC000417662160 500141508 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Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](CO)c2ccccc2)c1Cl ZINC000443158757 500689484 /nfs/dbraw/zinc/68/94/84/500689484.db2.gz PMPZWFUSMUWRTE-ZDUSSCGKSA-N -1 3 360.262 3.314 20 0 FGADHM Cc1cc(NC(=O)c2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)cc(C)c1Cl ZINC000443192653 500694329 /nfs/dbraw/zinc/69/43/29/500694329.db2.gz SWRULBKGIZUGBV-IBGZPJMESA-N -1 3 371.824 3.264 20 0 FGADHM O=S(=O)([N-][C@H]1c2ccccc2C[C@H]1O)c1c(Cl)ccc2ccccc21 ZINC000443191206 500694484 /nfs/dbraw/zinc/69/44/84/500694484.db2.gz WVVSRGZADCIQBU-MSOLQXFVSA-N -1 3 373.861 3.430 20 0 FGADHM O=S(=O)([N-]Cc1cccc(CO)c1)c1c(Cl)ccc2ccccc21 ZINC000443214002 500697548 /nfs/dbraw/zinc/69/75/48/500697548.db2.gz LSHGPJLMAHFQRF-UHFFFAOYSA-N -1 3 361.850 3.464 20 0 FGADHM CC(C)CC[C@@](C)(O)C[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000443246112 500700322 /nfs/dbraw/zinc/70/03/22/500700322.db2.gz JRWOJWHAIWBZTR-CQSZACIVSA-N -1 3 354.299 3.459 20 0 FGADHM CC[C@H](C)[C@@H](O)C[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000443274483 500702824 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CC[C@@H](C[C@@H](C)CO)[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000443316518 500709024 /nfs/dbraw/zinc/70/90/24/500709024.db2.gz WFZMOJACOWYVPL-KOLCDFICSA-N -1 3 354.299 3.377 20 0 FGADHM COc1cc(C(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C(C)C)ccc1[O-] ZINC000443336427 500711968 /nfs/dbraw/zinc/71/19/68/500711968.db2.gz RTTVEWLFWHBQOB-UHFFFAOYSA-N -1 3 367.405 3.100 20 0 FGADHM O=S(=O)([N-]C[C@@H](O)C1CCCCC1)c1c(Cl)cccc1Cl ZINC000443372497 500715969 /nfs/dbraw/zinc/71/59/69/500715969.db2.gz KFNWIBJPVPIPJB-CYBMUJFWSA-N -1 3 352.283 3.213 20 0 FGADHM CC[C@H](C[N-]S(=O)(=O)c1sc(C)nc1C)Oc1ccccc1F ZINC000433664846 500727343 /nfs/dbraw/zinc/72/73/43/500727343.db2.gz QRNDGDJEMWZIOV-GFCCVEGCSA-N -1 3 358.460 3.035 20 0 FGADHM CO[C@@H]1C[C@@H](NC(=O)c2ccc(C(=O)c3cccc([O-])c3)cc2)C12CCC2 ZINC000570658971 506211128 /nfs/dbraw/zinc/21/11/28/506211128.db2.gz ORHMLWPCDRFMEC-RTBURBONSA-N -1 3 365.429 3.311 20 0 FGADHM CCC[C@@H](C)N1C[C@H](C(=O)Nc2ccc(OC(F)(F)F)cc2[O-])CC1=O ZINC000443563316 500738424 /nfs/dbraw/zinc/73/84/24/500738424.db2.gz YFNOKTZKZQSCLK-GHMZBOCLSA-N -1 3 374.359 3.266 20 0 FGADHM O=C(Nc1ccc(OC(F)(F)F)cc1[O-])c1cccc2c1OCCO2 ZINC000443564622 500738462 /nfs/dbraw/zinc/73/84/62/500738462.db2.gz BRUAKVMCJNAVHP-UHFFFAOYSA-N -1 3 355.268 3.314 20 0 FGADHM COc1ccc(CN2CCCC[C@H]2C[C@H](C)O)c(Br)c1[O-] ZINC000448362557 500753125 /nfs/dbraw/zinc/75/31/25/500753125.db2.gz NQLHQKODHCVBBB-AAEUAGOBSA-N -1 3 358.276 3.289 20 0 FGADHM O=C(Nc1nnc(-c2cc3ccccc3o2)[n-]1)c1c[nH]nc1-c1ccoc1 ZINC000448379504 500756023 /nfs/dbraw/zinc/75/60/23/500756023.db2.gz YNMXZHKNEYWEGG-UHFFFAOYSA-N -1 3 360.333 3.453 20 0 FGADHM O=C(Nc1nc(-c2cc3ccccc3o2)n[n-]1)c1c[nH]nc1-c1ccoc1 ZINC000448379504 500756026 /nfs/dbraw/zinc/75/60/26/500756026.db2.gz YNMXZHKNEYWEGG-UHFFFAOYSA-N -1 3 360.333 3.453 20 0 FGADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)c1c[nH]nc1-c1ccoc1 ZINC000448379504 500756028 /nfs/dbraw/zinc/75/60/28/500756028.db2.gz YNMXZHKNEYWEGG-UHFFFAOYSA-N -1 3 360.333 3.453 20 0 FGADHM Cc1cc(C(=O)[N-]c2cc(-c3cccc(F)c3)on2)nc(C(F)(F)F)n1 ZINC000448542145 500769906 /nfs/dbraw/zinc/76/99/06/500769906.db2.gz IUNSYCHJQNMYFN-UHFFFAOYSA-N -1 3 366.274 3.272 20 0 FGADHM CCOC(=O)c1nnsc1[N-]C(=O)[C@H](CC)O[C@@H]1CCC[C@H](C)C1 ZINC000443872610 500771783 /nfs/dbraw/zinc/77/17/83/500771783.db2.gz BLTAVVTWAVYBLH-TUAOUCFPSA-N -1 3 355.460 3.027 20 0 FGADHM CC[C@H](C)[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)OC)cc1C)C(F)(F)F ZINC000443927764 500779056 /nfs/dbraw/zinc/77/90/56/500779056.db2.gz KKBCXFBQMINIPU-TVQRCGJNSA-N -1 3 367.389 3.037 20 0 FGADHM CCO[C@H]1C[C@@H](N(C)C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)C1(CC)CC ZINC000434003204 500779879 /nfs/dbraw/zinc/77/98/79/500779879.db2.gz NENGOXGRIOKDAI-CVEARBPZSA-N -1 3 373.453 3.018 20 0 FGADHM CC[C@H](C)[C@H]([N-]S(=O)(=O)c1cc(C(=O)OC)ccc1C)C(F)(F)F ZINC000443934959 500780308 /nfs/dbraw/zinc/78/03/08/500780308.db2.gz FWZKKHYWYFAEPF-ZANVPECISA-N -1 3 367.389 3.037 20 0 FGADHM C[C@@H]1CN(C(=O)c2ccc(C(=O)c3cccc([O-])c3)cc2)[C@@H](C)[C@H](C)O1 ZINC000438411910 500783273 /nfs/dbraw/zinc/78/32/73/500783273.db2.gz AVDHJZLEWPLIKS-ILXRZTDVSA-N -1 3 353.418 3.261 20 0 FGADHM O=C(NCc1cccc(OCC(F)F)c1)c1cc(=O)c2ccccc2[n-]1 ZINC000588132909 506216460 /nfs/dbraw/zinc/21/64/60/506216460.db2.gz QZLFHHHZGWMYCM-UHFFFAOYSA-N -1 3 358.344 3.102 20 0 FGADHM COC(=O)c1[n-]c(=NCc2cccc(NC(=O)CC(C)C)c2)sc1C ZINC000434082319 500792373 /nfs/dbraw/zinc/79/23/73/500792373.db2.gz WYTUKTYKTHPHIJ-UHFFFAOYSA-N -1 3 361.467 3.257 20 0 FGADHM COC(=O)c1[n-]c(=NCc2ccc(OCc3ccccn3)cc2)sc1C ZINC000434090245 500793958 /nfs/dbraw/zinc/79/39/58/500793958.db2.gz RVTHVXAGAWBZAE-UHFFFAOYSA-N -1 3 369.446 3.246 20 0 FGADHM CC[C@H]1CO[C@@H](C)CN1C(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000444092143 500802167 /nfs/dbraw/zinc/80/21/67/500802167.db2.gz CCBSUSQPLXSQSQ-KSSFIOAISA-N -1 3 353.418 3.263 20 0 FGADHM CCOCc1ccc([N-]S(=O)(=O)c2ccc(OCCOC)cc2)cc1 ZINC000438716855 500814751 /nfs/dbraw/zinc/81/47/51/500814751.db2.gz MMMYJNABBWEJPV-UHFFFAOYSA-N -1 3 365.451 3.049 20 0 FGADHM O=S(=O)([N-]CC[C@@H]1CCCCO1)c1ccc(C(F)(F)F)cc1F ZINC000444207876 500817538 /nfs/dbraw/zinc/81/75/38/500817538.db2.gz XBHCAYLKCWNURI-NSHDSACASA-N -1 3 355.353 3.082 20 0 FGADHM C[C@H]1CCCN(Cc2ccccc2CNC(=O)C(=O)c2ccc([O-])cc2)C1 ZINC000438777280 500819547 /nfs/dbraw/zinc/81/95/47/500819547.db2.gz XJRQYMXTWJPUFZ-INIZCTEOSA-N -1 3 366.461 3.123 20 0 FGADHM C[C@@H]1C[C@@H](C)N(C(=O)c2c[n-]c3c(OC(F)(F)F)cccc3c2=O)C1 ZINC000444259059 500825343 /nfs/dbraw/zinc/82/53/43/500825343.db2.gz JRSSMMUQZDVJGN-NXEZZACHSA-N -1 3 354.328 3.297 20 0 FGADHM C[C@@H]1[C@@H](C)CCN1C(=O)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O ZINC000444284895 500828681 /nfs/dbraw/zinc/82/86/81/500828681.db2.gz VHTKDELFAOSNBT-VHSXEESVSA-N -1 3 354.328 3.297 20 0 FGADHM C[C@@H]1CCN(C(=O)c2c[n-]c3ccc(Br)cc3c2=O)C[C@H]1C ZINC000444352297 500837881 /nfs/dbraw/zinc/83/78/81/500837881.db2.gz NSYVAAFYAHQAJH-GHMZBOCLSA-N -1 3 363.255 3.409 20 0 FGADHM CCCCc1nc2cc([N-]C(=O)c3cc(C(=O)OCC)no3)ccc2[nH]1 ZINC000448813008 500841320 /nfs/dbraw/zinc/84/13/20/500841320.db2.gz XQXXLHXMJGDIEW-UHFFFAOYSA-N -1 3 356.382 3.323 20 0 FGADHM C[C@@H](Sc1ccccc1)c1ccc(NC(=O)CN2CC(=O)[N-]C2=O)cc1 ZINC000439014624 500847577 /nfs/dbraw/zinc/84/75/77/500847577.db2.gz IIUBAYVHNQSQRJ-CYBMUJFWSA-N -1 3 369.446 3.030 20 0 FGADHM CC(C)(C)OC(=O)CCC(=O)Nc1nnc(-c2cc3ccccc3o2)[n-]1 ZINC000434547665 500858952 /nfs/dbraw/zinc/85/89/52/500858952.db2.gz PJWKSYPFYFTAKX-UHFFFAOYSA-N -1 3 356.382 3.278 20 0 FGADHM CC(C)(C)OC(=O)CCC(=O)Nc1nc(-c2cc3ccccc3o2)n[n-]1 ZINC000434547665 500858955 /nfs/dbraw/zinc/85/89/55/500858955.db2.gz PJWKSYPFYFTAKX-UHFFFAOYSA-N -1 3 356.382 3.278 20 0 FGADHM CC(C)(C)OC(=O)CCC(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000434547665 500858959 /nfs/dbraw/zinc/85/89/59/500858959.db2.gz PJWKSYPFYFTAKX-UHFFFAOYSA-N -1 3 356.382 3.278 20 0 FGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1ccc(C(F)(F)F)c(F)c1 ZINC000439244346 500874096 /nfs/dbraw/zinc/87/40/96/500874096.db2.gz GABRFKHVKQQPGS-UHFFFAOYSA-N -1 3 351.263 3.277 20 0 FGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1ccc(C(F)(F)F)c(F)c1 ZINC000439244346 500874099 /nfs/dbraw/zinc/87/40/99/500874099.db2.gz GABRFKHVKQQPGS-UHFFFAOYSA-N -1 3 351.263 3.277 20 0 FGADHM CO[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1)C1CC1 ZINC000582433609 506221781 /nfs/dbraw/zinc/22/17/81/506221781.db2.gz IRECDDCWAVXQFP-INIZCTEOSA-N -1 3 373.902 3.222 20 0 FGADHM CCc1[n-][nH]c(=NC(=O)c2cnc(-c3ccc(OC)c(OC)c3)s2)c1C ZINC000444803461 500903763 /nfs/dbraw/zinc/90/37/63/500903763.db2.gz PSMHNDRYYQHVFM-UHFFFAOYSA-N -1 3 372.450 3.095 20 0 FGADHM CC[C@@H](C)[C@@](C)(O)CNC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000439502048 500907012 /nfs/dbraw/zinc/90/70/12/500907012.db2.gz FQXMMEFFYYNDIF-VFNWGFHPSA-N -1 3 357.450 3.498 20 0 FGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)C(C)C)cc1F ZINC000444872083 500914969 /nfs/dbraw/zinc/91/49/69/500914969.db2.gz MBCPUQVRRJAQQU-QGZVFWFLSA-N -1 3 365.426 3.288 20 0 FGADHM CCO[C@@H](C[N-]S(=O)(=O)c1cc(C)c(F)cc1F)c1ccccc1 ZINC000444986640 500929923 /nfs/dbraw/zinc/92/99/23/500929923.db2.gz ZDVWRUXJVRSZKK-INIZCTEOSA-N -1 3 355.406 3.329 20 0 FGADHM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2ccc(C(F)F)cc2)cc1F ZINC000445044914 500936617 /nfs/dbraw/zinc/93/66/17/500936617.db2.gz BMKCSNGVPSQKNY-UHFFFAOYSA-N -1 3 373.352 3.028 20 0 FGADHM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2ccc3ccccc3c2)cc1F ZINC000445047876 500937003 /nfs/dbraw/zinc/93/70/03/500937003.db2.gz ZETWBFHPPAKJEP-UHFFFAOYSA-N -1 3 373.405 3.244 20 0 FGADHM COC(=O)c1ccc(C(=O)[N-]c2cc(F)c(F)cc2Br)o1 ZINC000435257253 500949161 /nfs/dbraw/zinc/94/91/61/500949161.db2.gz KSDRYOWWBUCQSF-UHFFFAOYSA-N -1 3 360.110 3.359 20 0 FGADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)c2c[nH]nc2C(C)C)[nH][n-]1 ZINC000445182812 500952412 /nfs/dbraw/zinc/95/24/12/500952412.db2.gz CXFRQKYGLWPSDX-UHFFFAOYSA-N -1 3 359.817 3.259 20 0 FGADHM Cc1nc([N-]C(=O)[C@H](C)Oc2cccc(Cl)c2)n(-c2ccccc2)n1 ZINC000440135125 500979055 /nfs/dbraw/zinc/97/90/55/500979055.db2.gz PKAWGESOFACADX-LBPRGKRZSA-N -1 3 356.813 3.057 20 0 FGADHM C[C@@H](CNC(=O)c1ccccc1[O-])Oc1cccc(Br)c1 ZINC000440322328 500996539 /nfs/dbraw/zinc/99/65/39/500996539.db2.gz ANJATKHHPUWAQE-NSHDSACASA-N -1 3 350.212 3.352 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]C[C@@H](C)Oc2ccccc2F)c(F)cc1F ZINC000440404564 501005769 /nfs/dbraw/zinc/00/57/69/501005769.db2.gz URBIACJZSNFXRI-LLVKDONJSA-N -1 3 359.369 3.158 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)c2cc(F)cc(F)c2)c1-c1ccc2c(c1)OCCO2 ZINC000435712386 501015842 /nfs/dbraw/zinc/01/58/42/501015842.db2.gz ATSDYHVPKFFUFK-UHFFFAOYSA-N -1 3 371.343 3.109 20 0 FGADHM Cc1ccc(-c2nc(CC(=O)NCc3ccc(F)c(F)c3)no2)c([O-])c1C ZINC000445702566 501021628 /nfs/dbraw/zinc/02/16/28/501021628.db2.gz PMCJHKBXBKFUAK-UHFFFAOYSA-N -1 3 373.359 3.196 20 0 FGADHM CC(C)CCO[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000435778963 501027514 /nfs/dbraw/zinc/02/75/14/501027514.db2.gz URPUYWGUQOSLON-IAGOWNOFSA-N -1 3 373.453 3.066 20 0 FGADHM CSCc1cccc(C[N-]S(=O)(=O)c2cc(F)c(F)cc2F)c1 ZINC000445759898 501029462 /nfs/dbraw/zinc/02/94/62/501029462.db2.gz RWRQFDFFVLMBND-UHFFFAOYSA-N -1 3 361.410 3.445 20 0 FGADHM CCOC(=O)c1ccc(NC(=O)c2cn(C)c3ccc(F)cc23)c([O-])c1 ZINC000435804906 501030764 /nfs/dbraw/zinc/03/07/64/501030764.db2.gz WFIFDZGEGSSOCR-UHFFFAOYSA-N -1 3 356.353 3.452 20 0 FGADHM COc1ccc(SCCCC(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000435879694 501040761 /nfs/dbraw/zinc/04/07/61/501040761.db2.gz DWNXBBLEDVPXLK-UHFFFAOYSA-N -1 3 369.450 3.386 20 0 FGADHM COc1ccc(SCCCC(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000435879694 501040764 /nfs/dbraw/zinc/04/07/64/501040764.db2.gz DWNXBBLEDVPXLK-UHFFFAOYSA-N -1 3 369.450 3.386 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1ccncc1Oc1ccccc1 ZINC000440726035 501042748 /nfs/dbraw/zinc/04/27/48/501042748.db2.gz NOARUKQXGJCUGM-UHFFFAOYSA-N -1 3 358.361 3.306 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1ccncc1Oc1ccccc1 ZINC000440726035 501042753 /nfs/dbraw/zinc/04/27/53/501042753.db2.gz NOARUKQXGJCUGM-UHFFFAOYSA-N -1 3 358.361 3.306 20 0 FGADHM C[C@@H]1C[C@@]2(CCO1)CN(C(=O)CCCc1ccc([O-])c(F)c1)C[C@H](C)O2 ZINC000435994390 501055159 /nfs/dbraw/zinc/05/51/59/501055159.db2.gz LIMSUOHCEYRXRD-SIFCLUCFSA-N -1 3 365.445 3.039 20 0 FGADHM COc1ccc2occ(C(=O)[N-]c3nnc(-c4c[nH]nc4C)s3)c2c1 ZINC000440875939 501059382 /nfs/dbraw/zinc/05/93/82/501059382.db2.gz GMQXHUYMTYPADS-UHFFFAOYSA-N -1 3 355.379 3.244 20 0 FGADHM CCOC(=O)COc1cccc(NC(=O)c2cn[n-]c2-c2ccsc2)c1 ZINC000436087894 501068605 /nfs/dbraw/zinc/06/86/05/501068605.db2.gz ZOKQLOUQTGNVIA-UHFFFAOYSA-N -1 3 371.418 3.332 20 0 FGADHM CCOC(=O)COc1cccc(NC(=O)c2c[n-]nc2-c2ccsc2)c1 ZINC000436087894 501068608 /nfs/dbraw/zinc/06/86/08/501068608.db2.gz ZOKQLOUQTGNVIA-UHFFFAOYSA-N -1 3 371.418 3.332 20 0 FGADHM CCCn1c(=O)[n-]nc1S[C@@H](Cc1ccc(Cl)cc1F)C(C)=O ZINC000436125625 501074799 /nfs/dbraw/zinc/07/47/99/501074799.db2.gz CREKNYMNFDMLII-ZDUSSCGKSA-N -1 3 357.838 3.479 20 0 FGADHM CCC[C@@](C)(NC(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1)C(=O)OC ZINC000436140459 501077075 /nfs/dbraw/zinc/07/70/75/501077075.db2.gz IYWZGFFHZYPPEH-OAQYLSRUSA-N -1 3 369.417 3.085 20 0 FGADHM CCC[C@@H](O)CN(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000450353531 501098286 /nfs/dbraw/zinc/09/82/86/501098286.db2.gz ZDCFQYRXEWSLEJ-GOSISDBHSA-N -1 3 362.495 3.080 20 0 FGADHM CCc1c([N-]C(=O)[C@@H]2Oc3ccccc3O[C@H]2C)onc1C(F)(F)F ZINC000582461826 506235034 /nfs/dbraw/zinc/23/50/34/506235034.db2.gz UDCHXUFNSXFXLY-QPUJVOFHSA-N -1 3 356.300 3.423 20 0 FGADHM CCOc1nc2ccc(C(=O)Nc3ccc(OCC(C)(C)O)cc3)cc2[n-]1 ZINC000449895297 501119782 /nfs/dbraw/zinc/11/97/82/501119782.db2.gz LLQPQFSZOYTFLG-UHFFFAOYSA-N -1 3 369.421 3.364 20 0 FGADHM CCOc1nc2cc(C(=O)Nc3ccc(OCC(C)(C)O)cc3)ccc2[n-]1 ZINC000449895297 501119786 /nfs/dbraw/zinc/11/97/86/501119786.db2.gz LLQPQFSZOYTFLG-UHFFFAOYSA-N -1 3 369.421 3.364 20 0 FGADHM CCc1ccc(CN2CCN(C(=O)Cc3ccc([O-])c(F)c3)CC2)s1 ZINC000449902392 501122137 /nfs/dbraw/zinc/12/21/37/501122137.db2.gz JTGVMGSHYZUKGS-UHFFFAOYSA-N -1 3 362.470 3.042 20 0 FGADHM Cc1ccc(NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)cc1Cl ZINC000436488436 501136898 /nfs/dbraw/zinc/13/68/98/501136898.db2.gz VXEWRQDAQXAGCI-UHFFFAOYSA-N -1 3 373.840 3.344 20 0 FGADHM CC[C@H]1CCC[C@H]1C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000449978487 501143189 /nfs/dbraw/zinc/14/31/89/501143189.db2.gz NPFQBHUSRBRPEI-SMDDNHRTSA-N -1 3 354.447 3.031 20 0 FGADHM O=C(Cc1ccc([O-])c(F)c1)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000450528544 501146152 /nfs/dbraw/zinc/14/61/52/501146152.db2.gz PNMDTBVXKGGAOC-LBPRGKRZSA-N -1 3 371.334 3.153 20 0 FGADHM CCc1noc(-c2ccc(CCNC(=O)c3cc(C)ccc3[O-])cc2)n1 ZINC000436518924 501146516 /nfs/dbraw/zinc/14/65/16/501146516.db2.gz TWUUBUTVDQMAPC-UHFFFAOYSA-N -1 3 351.406 3.286 20 0 FGADHM COc1cccc(C(=O)Nc2nn(-c3ccc(Cl)cc3)cc2C)c1[O-] ZINC000436529977 501149112 /nfs/dbraw/zinc/14/91/12/501149112.db2.gz BCSZZWYEMLZDNA-UHFFFAOYSA-N -1 3 357.797 3.223 20 0 FGADHM COC(=O)[C@H](c1ccccc1)N(C)C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436530991 501149131 /nfs/dbraw/zinc/14/91/31/501149131.db2.gz RURPOUGKNILECU-IBGZPJMESA-N -1 3 353.418 3.257 20 0 FGADHM COC(=O)[C@@H]1CN(C(=O)c2cc3c(cc2[O-])CCCC3)c2ccccc21 ZINC000436549254 501154211 /nfs/dbraw/zinc/15/42/11/501154211.db2.gz VMMPCXJAAHSTJN-QGZVFWFLSA-N -1 3 351.402 3.188 20 0 FGADHM CCCc1ccc([C@H](C)N(CC(N)=O)C(=O)c2ccc(OC)cc2[O-])cc1 ZINC000436550370 501154509 /nfs/dbraw/zinc/15/45/09/501154509.db2.gz SYTOQZVKQNKBOS-AWEZNQCLSA-N -1 3 370.449 3.042 20 0 FGADHM COc1cc(-c2noc(-c3c(C)onc3-c3cccnc3)n2)ccc1[O-] ZINC000436552191 501154945 /nfs/dbraw/zinc/15/49/45/501154945.db2.gz CJAHCNBUUWGFKV-UHFFFAOYSA-N -1 3 350.334 3.476 20 0 FGADHM CCOc1nc2cc(C(=O)N[C@H]3CCCC[C@@H]3n3cccn3)ccc2[n-]1 ZINC000450016373 501155088 /nfs/dbraw/zinc/15/50/88/501155088.db2.gz KHPBSDDDHXANEL-RDJZCZTQSA-N -1 3 353.426 3.072 20 0 FGADHM CCOc1nc2ccc(C(=O)N[C@H]3CCCC[C@@H]3n3cccn3)cc2[n-]1 ZINC000450016373 501155091 /nfs/dbraw/zinc/15/50/91/501155091.db2.gz KHPBSDDDHXANEL-RDJZCZTQSA-N -1 3 353.426 3.072 20 0 FGADHM C[C@H]1CCN(C)CCN1C(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436555401 501155792 /nfs/dbraw/zinc/15/57/92/501155792.db2.gz NTTOPQNFUFLEKA-INIZCTEOSA-N -1 3 354.450 3.137 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N2CC=C(c3ccccc3C)C2)c([O-])c1 ZINC000436563370 501157592 /nfs/dbraw/zinc/15/75/92/501157592.db2.gz LNYZXZWVGMRFBY-UHFFFAOYSA-N -1 3 364.445 3.055 20 0 FGADHM COCCCOc1cc(C)ccc1CNC(=O)c1ccc(OC)cc1[O-] ZINC000436585507 501163231 /nfs/dbraw/zinc/16/32/31/501163231.db2.gz MHKBVCRCGMRUEA-UHFFFAOYSA-N -1 3 359.422 3.055 20 0 FGADHM C[C@H](CO[C@@H]1CCOC1)NC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436584316 501163370 /nfs/dbraw/zinc/16/33/70/501163370.db2.gz MIUVYFXBUMAPQK-VQIMIIECSA-N -1 3 369.461 3.101 20 0 FGADHM COc1ccc(C(=O)N[C@H](c2ccc3c(c2)OCCO3)C2CC2)c([O-])c1 ZINC000436591159 501164931 /nfs/dbraw/zinc/16/49/31/501164931.db2.gz VMPMLTSVHVNFKF-IBGZPJMESA-N -1 3 355.390 3.053 20 0 FGADHM Cn1c2ccccc2n(Cc2nc(-c3ccc([O-])c4ccccc34)no2)c1=O ZINC000436612378 501169816 /nfs/dbraw/zinc/16/98/16/501169816.db2.gz MSBCPXPLMLGTEJ-UHFFFAOYSA-N -1 3 372.384 3.297 20 0 FGADHM CC(=O)c1ccc(C(=O)NCC2(c3ccccc3C)CCOCC2)cc1[O-] ZINC000436619765 501171122 /nfs/dbraw/zinc/17/11/22/501171122.db2.gz XVSJGGVBZVFXQN-UHFFFAOYSA-N -1 3 367.445 3.381 20 0 FGADHM O=C(Nc1nc2ccsc2s1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436616285 501171224 /nfs/dbraw/zinc/17/12/24/501171224.db2.gz DMYMLCNFOFAQFC-GFCCVEGCSA-N -1 3 373.459 3.307 20 0 FGADHM COc1ccc(CNC(=O)c2cc(C)ccc2[O-])cc1Br ZINC000436630168 501173857 /nfs/dbraw/zinc/17/38/57/501173857.db2.gz MBJLVSFIUPJDEP-UHFFFAOYSA-N -1 3 350.212 3.402 20 0 FGADHM COc1cccc(C(=O)N(C)CCc2cccc(Br)c2)c1[O-] ZINC000436639004 501175594 /nfs/dbraw/zinc/17/55/94/501175594.db2.gz AXXSYJDNOGWCQA-UHFFFAOYSA-N -1 3 364.239 3.478 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C)[C@H](c2ccccc2C)N(C)C)c1 ZINC000436641229 501176330 /nfs/dbraw/zinc/17/63/30/501176330.db2.gz MHHVLGDPZJOBTP-VBKZILBWSA-N -1 3 369.465 3.080 20 0 FGADHM COc1cccc(Oc2ccc(CNC(=O)c3c([O-])cccc3O)cn2)c1 ZINC000436645586 501177522 /nfs/dbraw/zinc/17/75/22/501177522.db2.gz DHGRBNMHJWSICX-UHFFFAOYSA-N -1 3 366.373 3.224 20 0 FGADHM CC(=O)c1ccc(C(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2)cc1[O-] ZINC000436656914 501180592 /nfs/dbraw/zinc/18/05/92/501180592.db2.gz SBWZKDRPKLDIRT-OAHLLOKOSA-N -1 3 358.825 3.257 20 0 FGADHM CC(C)c1ccc(C(=O)N2CCC[C@@H](CNC(=O)c3ccco3)C2)c([O-])c1 ZINC000436666336 501182672 /nfs/dbraw/zinc/18/26/72/501182672.db2.gz QLPURWVUOVETBH-HNNXBMFYSA-N -1 3 370.449 3.391 20 0 FGADHM Cc1ccc([C@@H](C)N(C)C(=O)CCNC(=O)c2ccc(C)cc2[O-])cc1 ZINC000436668832 501183015 /nfs/dbraw/zinc/18/30/15/501183015.db2.gz YKRCPOGDBWQOLW-MRXNPFEDSA-N -1 3 354.450 3.349 20 0 FGADHM CNC(=O)c1ccc(S(=O)(=O)[N-]c2c(Cl)ccc(C)c2C)cc1 ZINC000446947732 501185196 /nfs/dbraw/zinc/18/51/96/501185196.db2.gz HNKBELSQSAGKLO-UHFFFAOYSA-N -1 3 352.843 3.117 20 0 FGADHM CCSc1nnc(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)s1 ZINC000436682485 501187027 /nfs/dbraw/zinc/18/70/27/501187027.db2.gz QHKYMHFRLRAGLR-UHFFFAOYSA-N -1 3 351.453 3.322 20 0 FGADHM CN(CCCC(=O)OC(C)(C)C)C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436682576 501187140 /nfs/dbraw/zinc/18/71/40/501187140.db2.gz QRMKWCVIOYBELB-UHFFFAOYSA-N -1 3 363.454 3.300 20 0 FGADHM COc1ccc(OC)c(CCNC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)c1 ZINC000436682702 501187611 /nfs/dbraw/zinc/18/76/11/501187611.db2.gz RHUBKZGGCLSXST-UHFFFAOYSA-N -1 3 371.433 3.095 20 0 FGADHM Cc1ccc(C(=O)NCCc2nc(Cc3cccc(Cl)c3)no2)c([O-])c1 ZINC000436689268 501188830 /nfs/dbraw/zinc/18/88/30/501188830.db2.gz MZTBXRLINTWKOE-UHFFFAOYSA-N -1 3 371.824 3.300 20 0 FGADHM Cc1nnsc1CNC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436690541 501190040 /nfs/dbraw/zinc/19/00/40/501190040.db2.gz ZGLIMWPXFRLGHU-UHFFFAOYSA-N -1 3 355.419 3.061 20 0 FGADHM CCc1csc(-n2cc(-c3nc(-c4ccc([O-])c(OC)c4)no3)cn2)n1 ZINC000436701856 501191346 /nfs/dbraw/zinc/19/13/46/501191346.db2.gz FVIDPXIRGHXONY-UHFFFAOYSA-N -1 3 369.406 3.322 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N2CCC[C@H]2c2ccccc2C)c([O-])c1 ZINC000436710450 501194015 /nfs/dbraw/zinc/19/40/15/501194015.db2.gz UKVMZCVWHTXJKC-IBGZPJMESA-N -1 3 366.461 3.493 20 0 FGADHM CCNc1ccc(C(=O)OCC)cc1NC(=O)Cc1ccc([O-])c(F)c1 ZINC000450149874 501194331 /nfs/dbraw/zinc/19/43/31/501194331.db2.gz XAVSHHCODLEZQE-UHFFFAOYSA-N -1 3 360.385 3.321 20 0 FGADHM COc1cccc(N2CC[C@@H](NC(=O)c3cc4c(cc3[O-])CCCC4)C2)c1 ZINC000436724277 501197463 /nfs/dbraw/zinc/19/74/63/501197463.db2.gz RXBHSSDTQUGHDA-QGZVFWFLSA-N -1 3 366.461 3.288 20 0 FGADHM C[C@H](c1ccc2c(c1)CCC2)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436731902 501199875 /nfs/dbraw/zinc/19/98/75/501199875.db2.gz OBCYZTYVDUBKPW-MRXNPFEDSA-N -1 3 350.462 3.400 20 0 FGADHM C[C@@H]1CCC[C@H](CCNC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)C1 ZINC000436739002 501201444 /nfs/dbraw/zinc/20/14/44/501201444.db2.gz NDDLFTSSQJDSGH-IAGOWNOFSA-N -1 3 373.497 3.076 20 0 FGADHM CC[C@H](C)c1nc([C@@H](C)NC(=O)c2cc(Cl)c([O-])c(OC)c2)n[nH]1 ZINC000436743502 501202364 /nfs/dbraw/zinc/20/23/64/501202364.db2.gz HIWYLQWDCRQQJQ-DTWKUNHWSA-N -1 3 352.822 3.177 20 0 FGADHM CCN(CCc1cccs1)C(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436743428 501202515 /nfs/dbraw/zinc/20/25/15/501202515.db2.gz ZXUKHMAVGISOJQ-QGZVFWFLSA-N -1 3 372.490 3.150 20 0 FGADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCOCC2(CC2)C1 ZINC000436751218 501204098 /nfs/dbraw/zinc/20/40/98/501204098.db2.gz QSWNOURBHCQUML-UHFFFAOYSA-N -1 3 351.446 3.430 20 0 FGADHM O=C(NCc1nc2ccc(F)cc2[nH]1)c1ccc(C(F)(F)F)cc1[O-] ZINC000436753470 501204990 /nfs/dbraw/zinc/20/49/90/501204990.db2.gz VDQYRJHAXRBPSO-UHFFFAOYSA-N -1 3 353.275 3.356 20 0 FGADHM COC(=O)C1(c2ccccc2)CCN(C(=O)c2cccc(C)c2[O-])CC1 ZINC000436755640 501205173 /nfs/dbraw/zinc/20/51/73/501205173.db2.gz NRXBAXDVMQBXIU-UHFFFAOYSA-N -1 3 353.418 3.048 20 0 FGADHM CCCN(CC(C)C)C(=O)C(=O)[N-]c1scc(C)c1C(=O)OCC ZINC000442187162 501205534 /nfs/dbraw/zinc/20/55/34/501205534.db2.gz VBOSOWSEWVWRTJ-UHFFFAOYSA-N -1 3 354.472 3.066 20 0 FGADHM CN1CCN(C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)[C@@H](c2ccccc2)C1 ZINC000436758686 501205660 /nfs/dbraw/zinc/20/56/60/501205660.db2.gz ZYJMBNCBAWVDET-GOSISDBHSA-N -1 3 366.461 3.235 20 0 FGADHM CC(C)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])cc1 ZINC000436761397 501206638 /nfs/dbraw/zinc/20/66/38/501206638.db2.gz JRTGUPFYIGEJPD-IBGZPJMESA-N -1 3 366.461 3.437 20 0 FGADHM O=C(NCCCc1nc(-c2ccc([O-])cc2)no1)c1ccc(F)cc1F ZINC000436769007 501208751 /nfs/dbraw/zinc/20/87/51/501208751.db2.gz MKQHENYDOOPZGR-UHFFFAOYSA-N -1 3 359.332 3.083 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](c2nc3ccccc3[nH]2)C(C)C)c1 ZINC000436779940 501209846 /nfs/dbraw/zinc/20/98/46/501209846.db2.gz BDHUWKHIOFKVFV-GOSISDBHSA-N -1 3 366.421 3.354 20 0 FGADHM COc1cc(-c2noc(CNC(=O)Nc3cccc(C)c3)n2)ccc1[O-] ZINC000436784557 501210745 /nfs/dbraw/zinc/21/07/45/501210745.db2.gz LPEWCKQTDSAOFB-UHFFFAOYSA-N -1 3 354.366 3.081 20 0 FGADHM CCc1ccc(C(=O)N2CCN(Cc3cc(F)ccc3OC)CC2)c([O-])c1 ZINC000436803932 501213878 /nfs/dbraw/zinc/21/38/78/501213878.db2.gz SKPRESTUBGFOQQ-UHFFFAOYSA-N -1 3 372.440 3.060 20 0 FGADHM COc1cccc(C(=O)N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2)c1[O-] ZINC000436804904 501214013 /nfs/dbraw/zinc/21/40/13/501214013.db2.gz BUIHBBFPTCBYND-LLVKDONJSA-N -1 3 364.804 3.202 20 0 FGADHM CCOc1ccccc1N1CCN(C(=O)c2ccc(CC)cc2[O-])CC1 ZINC000436803749 501214095 /nfs/dbraw/zinc/21/40/95/501214095.db2.gz RIOLWYNVFSUEME-UHFFFAOYSA-N -1 3 354.450 3.316 20 0 FGADHM COc1cc(C(=O)Nc2cccc3c2OCC[C@@H]3OC)cc(OC)c1[O-] ZINC000436809076 501214963 /nfs/dbraw/zinc/21/49/63/501214963.db2.gz RRNSZSXRDBMVGG-AWEZNQCLSA-N -1 3 359.378 3.132 20 0 FGADHM Cn1c(=O)ccc2ccc(NC(=O)c3ccc4c(c3[O-])OC(C)(C)C4)cc21 ZINC000436817317 501215893 /nfs/dbraw/zinc/21/58/93/501215893.db2.gz WXRKOIOZJWJLJD-UHFFFAOYSA-N -1 3 364.401 3.210 20 0 FGADHM O=C(N[C@H](CCO)c1ccco1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436819781 501216615 /nfs/dbraw/zinc/21/66/15/501216615.db2.gz JRTHSGSKLSWRCK-GOSISDBHSA-N -1 3 351.402 3.430 20 0 FGADHM CCc1ccc(C(=O)NC[C@H]2CCN(c3cccc(OC)c3)C2)c([O-])c1 ZINC000436822511 501216918 /nfs/dbraw/zinc/21/69/18/501216918.db2.gz VDQPUWZPUDIDBY-MRXNPFEDSA-N -1 3 354.450 3.220 20 0 FGADHM O=C(Nc1cccc(CN2CC[C@H](O)C2)c1)c1cc(F)c([O-])c(Cl)c1 ZINC000436833596 501218605 /nfs/dbraw/zinc/21/86/05/501218605.db2.gz KGXMOGRPCOMLIS-AWEZNQCLSA-N -1 3 364.804 3.004 20 0 FGADHM COc1cc(Br)ccc1[C@@H](C)NC(=O)c1ccc(O)cc1[O-] ZINC000436842005 501220010 /nfs/dbraw/zinc/22/00/10/501220010.db2.gz UOXRAAUYHUQFMI-SECBINFHSA-N -1 3 366.211 3.360 20 0 FGADHM COC(=O)c1nc(NC(=O)c2cccc(OC)c2[O-])sc1C(C)C ZINC000436855233 501221524 /nfs/dbraw/zinc/22/15/24/501221524.db2.gz IGPQCOWUHORYHX-UHFFFAOYSA-N -1 3 350.396 3.020 20 0 FGADHM O=c1[n-]nc([C@@H]2CCCN(CCCc3ccccc3Br)C2)o1 ZINC000450895526 501225457 /nfs/dbraw/zinc/22/54/57/501225457.db2.gz JTZJEWGPRXZPAM-CYBMUJFWSA-N -1 3 366.259 3.350 20 0 FGADHM CCOc1cc(-c2noc(CCCNC(=O)[C@H]3CC=CCC3)n2)ccc1[O-] ZINC000436876116 501225591 /nfs/dbraw/zinc/22/55/91/501225591.db2.gz GMFRTECAZVCCPI-AWEZNQCLSA-N -1 3 371.437 3.246 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N[C@H](CC(C)(C)C)C(F)(F)F)c([O-])c1 ZINC000436889745 501228058 /nfs/dbraw/zinc/22/80/58/501228058.db2.gz XMKZHDWCDCVNCA-CQSZACIVSA-N -1 3 374.403 3.304 20 0 FGADHM CC[C@@H](CO)N1CCN(C(=O)c2cc(C(C)C)cc(C(C)C)c2[O-])CC1 ZINC000436909616 501230923 /nfs/dbraw/zinc/23/09/23/501230923.db2.gz PGVPYILYWGXCRD-KRWDZBQOSA-N -1 3 362.514 3.168 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NC[C@@H]2CC[C@H](C)C2)c1 ZINC000436915686 501231717 /nfs/dbraw/zinc/23/17/17/501231717.db2.gz RVVQJBNWZPGRDB-WCQYABFASA-N -1 3 357.410 3.107 20 0 FGADHM CCc1ccccc1NC(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436917623 501232591 /nfs/dbraw/zinc/23/25/91/501232591.db2.gz CBTZITHDJONJAS-UHFFFAOYSA-N -1 3 367.449 3.381 20 0 FGADHM Cc1ccc(C(=O)N[C@@H]2CCCN(c3ccccc3Cl)C2=O)c([O-])c1 ZINC000436920249 501233273 /nfs/dbraw/zinc/23/32/73/501233273.db2.gz OQJQZYNKRBHRJR-OAHLLOKOSA-N -1 3 358.825 3.279 20 0 FGADHM CCCCN1CCC([N-]S(=O)(=O)c2cc3cc(F)ccc3o2)CC1 ZINC000451122324 501247018 /nfs/dbraw/zinc/24/70/18/501247018.db2.gz XQJFAWUTASVVLN-UHFFFAOYSA-N -1 3 354.447 3.115 20 0 FGADHM CCOc1nc2cc(C(=O)N(CCOC)Cc3scnc3C)ccc2[n-]1 ZINC000451246107 501254650 /nfs/dbraw/zinc/25/46/50/501254650.db2.gz JIUGESURODJZDC-UHFFFAOYSA-N -1 3 374.466 3.015 20 0 FGADHM CCOc1nc2ccc(C(=O)N(CCOC)Cc3scnc3C)cc2[n-]1 ZINC000451246107 501254651 /nfs/dbraw/zinc/25/46/51/501254651.db2.gz JIUGESURODJZDC-UHFFFAOYSA-N -1 3 374.466 3.015 20 0 FGADHM CCC(CC)c1cc(C[N-]S(=O)(=O)CCOCc2ccccc2)on1 ZINC000451249647 501254781 /nfs/dbraw/zinc/25/47/81/501254781.db2.gz QDJFSJFFBVNTPA-UHFFFAOYSA-N -1 3 366.483 3.214 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)CCC1CCCC1)c1noc(Cc2ccccc2)n1 ZINC000451291468 501258005 /nfs/dbraw/zinc/25/80/05/501258005.db2.gz OYJOEBFFAHDRPP-CQSZACIVSA-N -1 3 363.483 3.221 20 0 FGADHM O=C(Cc1ccc([O-])c(F)c1)N(Cc1ccc(F)cc1)C1CCOCC1 ZINC000451391999 501282189 /nfs/dbraw/zinc/28/21/89/501282189.db2.gz HNOZVOPRNOFPIS-UHFFFAOYSA-N -1 3 361.388 3.421 20 0 FGADHM C[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2ccc3ccccc3c2F)C[C@H](C)O1 ZINC000451490194 501305100 /nfs/dbraw/zinc/30/51/00/501305100.db2.gz LGIIAJBBGMZVRY-BTTYYORXSA-N -1 3 351.443 3.461 20 0 FGADHM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]C[C@@H]1CCCCC1(F)F ZINC000451637879 501341722 /nfs/dbraw/zinc/34/17/22/501341722.db2.gz CGKUSTNUQFAEAZ-AWEZNQCLSA-N -1 3 363.474 3.260 20 0 FGADHM CCC[C@H](C[N-]S(=O)(=O)c1ccc(OC)c(Cl)c1Cl)OC ZINC000451637334 501341747 /nfs/dbraw/zinc/34/17/47/501341747.db2.gz DCSCCBUWAXFYDJ-SECBINFHSA-N -1 3 356.271 3.095 20 0 FGADHM COc1cc(F)cc(C[C@H](C)NC(=O)NCc2ccc([O-])c(F)c2)c1 ZINC000455604144 501344343 /nfs/dbraw/zinc/34/43/43/501344343.db2.gz KIDNULIBHSXCBN-NSHDSACASA-N -1 3 350.365 3.109 20 0 FGADHM COC[C@H](C[N-]S(=O)(=O)c1cc(C)cs1)c1ccc(Cl)cc1 ZINC000451810496 501376848 /nfs/dbraw/zinc/37/68/48/501376848.db2.gz OFITZEBRMHQDIJ-ZDUSSCGKSA-N -1 3 359.900 3.418 20 0 FGADHM 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ZINC000452756148 501557420 /nfs/dbraw/zinc/55/74/20/501557420.db2.gz OIVBLWAQYZRDTP-GHMZBOCLSA-N -1 3 370.243 3.381 20 0 FGADHM CCc1cc(C(=O)N[C@@H]2C[C@H](OC(C)(C)C)[C@H]2n2cccn2)ccc1[O-] ZINC000456701434 501581339 /nfs/dbraw/zinc/58/13/39/501581339.db2.gz PZHOXMGRBYPXFV-NJAFHUGGSA-N -1 3 357.454 3.078 20 0 FGADHM COc1cc(C)cc(C(=O)Nc2ccc3c(c2)nc(C)n3[C@@H](C)CO)c1[O-] ZINC000456706760 501582210 /nfs/dbraw/zinc/58/22/10/501582210.db2.gz JCDOGWXJLOHTLX-LBPRGKRZSA-N -1 3 369.421 3.173 20 0 FGADHM O=C(CCc1ccc2ccccc2c1[O-])N1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000456727824 501587519 /nfs/dbraw/zinc/58/75/19/501587519.db2.gz ZXLCUQUBSMRJSW-KDOFPFPSSA-N -1 3 367.367 3.250 20 0 FGADHM Cc1nc(S(=O)(=O)[C@@H](C)C(=O)Nc2ccc(C(C)(C)C)cc2)[n-]c1C ZINC000453028854 501604670 /nfs/dbraw/zinc/60/46/70/501604670.db2.gz RGQLVZWWESGYRQ-ZDUSSCGKSA-N -1 3 363.483 3.125 20 0 FGADHM COc1ccc([C@H]2CCCN2Cc2cc(=O)[n-]c(C3CC3)n2)cc1OC ZINC000459287037 501625378 /nfs/dbraw/zinc/62/53/78/501625378.db2.gz DMNMQDVPQHZUSK-MRXNPFEDSA-N -1 3 355.438 3.414 20 0 FGADHM CC(C)[C@@]1(C)C[C@H]1NC(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000459304427 501627681 /nfs/dbraw/zinc/62/76/81/501627681.db2.gz SUEHVUAMNCLMBM-YLJYHZDGSA-N -1 3 359.470 3.187 20 0 FGADHM CCOc1cc(CN2CCC[C@@H]2CCCO)cc(Br)c1[O-] ZINC000459324135 501630931 /nfs/dbraw/zinc/63/09/31/501630931.db2.gz JZOKNXDPKJLSTK-CYBMUJFWSA-N -1 3 358.276 3.290 20 0 FGADHM CCc1ccc(CN2CCN(Cc3cc(=O)[n-]c(C4CC4)n3)CC2)s1 ZINC000459335239 501633874 /nfs/dbraw/zinc/63/38/74/501633874.db2.gz GBDJMLPNNZQVDE-UHFFFAOYSA-N -1 3 358.511 3.001 20 0 FGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@@H]2C[C@H]2CC(C)C)cc1OC ZINC000459344171 501635317 /nfs/dbraw/zinc/63/53/17/501635317.db2.gz AWRKVKVYAWBGJF-IUODEOHRSA-N -1 3 369.487 3.013 20 0 FGADHM CC(C)N(Cc1cc(=O)[n-]c(C2CC2)n1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000459350168 501637117 /nfs/dbraw/zinc/63/71/17/501637117.db2.gz JLHKVDUJXJGQNZ-UHFFFAOYSA-N -1 3 365.437 3.119 20 0 FGADHM CCO[C@H](C)c1noc(CN(C)Cc2cccc([O-])c2Br)n1 ZINC000459360337 501639148 /nfs/dbraw/zinc/63/91/48/501639148.db2.gz FNUZYWPXBMOIEC-SNVBAGLBSA-N -1 3 370.247 3.267 20 0 FGADHM C[C@H](N1CCN(Cc2cccc([O-])c2Br)CC1)C(F)(F)F ZINC000459362653 501639343 /nfs/dbraw/zinc/63/93/43/501639343.db2.gz TZGKRRCTPGARKP-JTQLQIEISA-N -1 3 367.209 3.223 20 0 FGADHM COc1cccc(CNCc2cccc([O-])c2Br)c1OC ZINC000459386282 501644444 /nfs/dbraw/zinc/64/44/44/501644444.db2.gz IEWOSEUDDUTSIQ-UHFFFAOYSA-N -1 3 352.228 3.462 20 0 FGADHM CCCNC(=O)C1(NCc2cc(=O)[n-]c(-c3ccccc3)n2)CCCCC1 ZINC000459388617 501644849 /nfs/dbraw/zinc/64/48/49/501644849.db2.gz MBGXRVGRZLTRKF-UHFFFAOYSA-N -1 3 368.481 3.168 20 0 FGADHM O=c1cc(CN(C[C@@H]2CCCO2)[C@H]2CCSC2)nc(-c2ccccc2)[n-]1 ZINC000459396990 501645955 /nfs/dbraw/zinc/64/59/55/501645955.db2.gz WGZNAAINPBMNSH-ROUUACIJSA-N -1 3 371.506 3.336 20 0 FGADHM [O-]c1cccc(CNCc2cccnc2OCC(F)F)c1Br ZINC000459462168 501657928 /nfs/dbraw/zinc/65/79/28/501657928.db2.gz UGNMUMPDRXTGJF-UHFFFAOYSA-N -1 3 373.197 3.483 20 0 FGADHM [O-]c1cccc(CN2CCC[C@](O)(C(F)(F)F)CC2)c1Br ZINC000459547130 501674040 /nfs/dbraw/zinc/67/40/40/501674040.db2.gz ODZSATOOGJPODV-CYBMUJFWSA-N -1 3 368.193 3.434 20 0 FGADHM CON1CCC(N(C)C(=O)c2cc(Cc3ccccc3)ccc2[O-])CC1 ZINC000457301604 501678493 /nfs/dbraw/zinc/67/84/93/501678493.db2.gz DLXMHPRPJPDVKV-UHFFFAOYSA-N -1 3 354.450 3.081 20 0 FGADHM Cc1c(NCc2cccc([O-])c2Br)cnn1[C@@H]1CCOC1 ZINC000459570661 501678556 /nfs/dbraw/zinc/67/85/56/501678556.db2.gz MUWVKENFPFLMHZ-GFCCVEGCSA-N -1 3 352.232 3.233 20 0 FGADHM C[C@@H](CC(C)(C)C)NC(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000455073808 501682987 /nfs/dbraw/zinc/68/29/87/501682987.db2.gz ZUWBILPHKDWWNS-NSHDSACASA-N -1 3 371.478 3.213 20 0 FGADHM O=C(Nc1ccccc1[O-])C1CCN(C(=O)c2[nH]ccc2C2CC2)CC1 ZINC000457414762 501694830 /nfs/dbraw/zinc/69/48/30/501694830.db2.gz RRCONOHQXBXRIG-UHFFFAOYSA-N -1 3 353.422 3.089 20 0 FGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@@H](C)c1cnn(C)c1 ZINC000470601799 501740221 /nfs/dbraw/zinc/74/02/21/501740221.db2.gz QSULRFMVSNWRNK-JTQLQIEISA-N -1 3 353.831 3.168 20 0 FGADHM CC(C)C[C@@H]([N-]S(=O)(=O)Cc1ccc(F)cc1)C(=O)OC(C)(C)C ZINC000470605011 501740625 /nfs/dbraw/zinc/74/06/25/501740625.db2.gz GKJGGXINLHJYIY-OAHLLOKOSA-N -1 3 359.463 3.002 20 0 FGADHM COC(=O)c1ccc(C(=O)[N-]c2nnc(/C=C\c3ccco3)s2)c(F)c1 ZINC000477630228 501744023 /nfs/dbraw/zinc/74/40/23/501744023.db2.gz WMBSEIFMBZEQLG-ALCCZGGFSA-N -1 3 373.365 3.480 20 0 FGADHM CC1(CNC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)CC1 ZINC000477632406 501744393 /nfs/dbraw/zinc/74/43/93/501744393.db2.gz DYLHLQCAXYUWCM-UHFFFAOYSA-N -1 3 362.426 3.156 20 0 FGADHM CCNC(=O)N(C)c1cccc(NC(=O)c2cc(-c3ccco3)[n-]n2)c1 ZINC000477662847 501751820 /nfs/dbraw/zinc/75/18/20/501751820.db2.gz HZTTZNRKARTVFB-UHFFFAOYSA-N -1 3 353.382 3.088 20 0 FGADHM CCNC(=O)N(C)c1cccc(NC(=O)c2cc(-c3ccco3)n[n-]2)c1 ZINC000477662847 501751826 /nfs/dbraw/zinc/75/18/26/501751826.db2.gz HZTTZNRKARTVFB-UHFFFAOYSA-N -1 3 353.382 3.088 20 0 FGADHM Cc1ccc([N-]S(=O)(=O)c2c(C)cc(F)cc2C)cc1C(=O)N(C)C ZINC000485393439 501807177 /nfs/dbraw/zinc/80/71/77/501807177.db2.gz AAEUODWPIZYQGW-UHFFFAOYSA-N -1 3 364.442 3.254 20 0 FGADHM O=S(=O)([N-][C@@H]1CCN(c2ccc(Cl)cc2Cl)C1)c1ccco1 ZINC000474370401 501809112 /nfs/dbraw/zinc/80/91/12/501809112.db2.gz ANLZATNFYOWREN-LLVKDONJSA-N -1 3 361.250 3.144 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)N[C@H](CO)c1c(Cl)cccc1Cl ZINC000474382317 501815105 /nfs/dbraw/zinc/81/51/05/501815105.db2.gz QNVDQFGJKHLXOZ-CYBMUJFWSA-N -1 3 373.211 3.371 20 0 FGADHM CCOC[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F)C(C)C ZINC000474391986 501818930 /nfs/dbraw/zinc/81/89/30/501818930.db2.gz MYGBNBMGLXZBGH-GFCCVEGCSA-N -1 3 357.369 3.184 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]c2ccc(N3CCCC3=O)cc2)cc(C)c1F ZINC000460451650 501827146 /nfs/dbraw/zinc/82/71/46/501827146.db2.gz VMOXOLVXOAOFNT-UHFFFAOYSA-N -1 3 362.426 3.370 20 0 FGADHM Cc1cc([N-]S(=O)(=O)c2csc3ccc(Cl)cc32)c(=O)n(C)c1 ZINC000481604985 501829877 /nfs/dbraw/zinc/82/98/77/501829877.db2.gz AYWMSNCIDRLCNS-UHFFFAOYSA-N -1 3 368.867 3.363 20 0 FGADHM CC[C@@H](C)n1ncc(NC(=O)c2c[n-]c3cc(OC)ccc3c2=O)c1C ZINC000485494846 501836865 /nfs/dbraw/zinc/83/68/65/501836865.db2.gz RHFLLLDLUPWJPQ-LLVKDONJSA-N -1 3 354.410 3.265 20 0 FGADHM CC[C@@H](C)n1ncc(NC(=O)c2cnc3cc(OC)ccc3c2[O-])c1C ZINC000485494846 501836869 /nfs/dbraw/zinc/83/68/69/501836869.db2.gz RHFLLLDLUPWJPQ-LLVKDONJSA-N -1 3 354.410 3.265 20 0 FGADHM CCOC(=O)c1c(C(C)C)csc1[N-]C(=O)C(=O)N(C)CC(C)(C)C ZINC000467651796 501839287 /nfs/dbraw/zinc/83/92/87/501839287.db2.gz XZTZWYRHELGROY-UHFFFAOYSA-N -1 3 368.499 3.491 20 0 FGADHM CC(=O)Nc1ccc(F)c(C(=O)N=c2cc(-c3cc(F)cc(F)c3)[n-][nH]2)c1 ZINC000467715514 501851420 /nfs/dbraw/zinc/85/14/20/501851420.db2.gz NGMHXHHTKMSFON-UHFFFAOYSA-N -1 3 374.322 3.127 20 0 FGADHM CC[C@H](C)C[C@H](C)NC(=O)c1cc(C(C)C)nc2c1c(=O)[n-]c(=O)n2CC ZINC000463922434 501854298 /nfs/dbraw/zinc/85/42/98/501854298.db2.gz WANFMBIPSHANIQ-STQMWFEESA-N -1 3 374.485 3.195 20 0 FGADHM CC[C@H](C)CN(CC)C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000481721337 501863873 /nfs/dbraw/zinc/86/38/73/501863873.db2.gz VWMXLFSGHDHYAH-ZDUSSCGKSA-N -1 3 371.503 3.357 20 0 FGADHM CCCN(C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)[C@H]1C[C@H](OCC)C1(C)C ZINC000481736461 501869395 /nfs/dbraw/zinc/86/93/95/501869395.db2.gz OEUMLYZWLFWWGF-HOTGVXAUSA-N -1 3 373.453 3.018 20 0 FGADHM COC(=O)c1cc2cc(NC(=O)c3[n-]nc4c3cccc4OC)ccc2o1 ZINC000485601983 501873932 /nfs/dbraw/zinc/87/39/32/501873932.db2.gz OYCVHSKMYCGURH-UHFFFAOYSA-N -1 3 365.345 3.357 20 0 FGADHM COC(=O)c1cc2cc(NC(=O)c3n[n-]c4c3cccc4OC)ccc2o1 ZINC000485601983 501873940 /nfs/dbraw/zinc/87/39/40/501873940.db2.gz OYCVHSKMYCGURH-UHFFFAOYSA-N -1 3 365.345 3.357 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]Cc2cccc(C(F)(F)F)c2)c(F)c1 ZINC000478132487 501889197 /nfs/dbraw/zinc/88/91/97/501889197.db2.gz JJFKOADIJMJGIX-UHFFFAOYSA-N -1 3 363.332 3.332 20 0 FGADHM COc1ccc(S(=O)(=O)[N-][C@@H](C)c2cc(C)ccc2OC)c(F)c1 ZINC000478134869 501890324 /nfs/dbraw/zinc/89/03/24/501890324.db2.gz CFRHJDSXEKTLEM-LBPRGKRZSA-N -1 3 353.415 3.191 20 0 FGADHM COc1cccc([C@@H]2C[C@@H]2C(=O)N=c2cc(-c3ccccc3OC)[n-][nH]2)c1 ZINC000592861872 506279877 /nfs/dbraw/zinc/27/98/77/506279877.db2.gz DWFJQJZPLQZCDS-IRXDYDNUSA-N -1 3 363.417 3.258 20 0 FGADHM CN(C)Cc1ccc([N-]S(=O)(=O)Cc2ccccc2F)cc1Cl ZINC000481870112 501904296 /nfs/dbraw/zinc/90/42/96/501904296.db2.gz PQWFJMSPSFJBKB-UHFFFAOYSA-N -1 3 356.850 3.483 20 0 FGADHM O=C(NCCCNC(=O)c1cccc2ccsc21)c1cccc([O-])c1 ZINC000467920157 501906579 /nfs/dbraw/zinc/90/65/79/501906579.db2.gz QATQGRXSJNAFSB-UHFFFAOYSA-N -1 3 354.431 3.157 20 0 FGADHM C[C@@H](CSc1ccc(F)cc1)C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000481906160 501914218 /nfs/dbraw/zinc/91/42/18/501914218.db2.gz CUOPDKADFQIFSH-QMMMGPOBSA-N -1 3 362.352 3.007 20 0 FGADHM C[C@@H](CSc1ccc(F)cc1)C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000481906160 501914222 /nfs/dbraw/zinc/91/42/22/501914222.db2.gz CUOPDKADFQIFSH-QMMMGPOBSA-N -1 3 362.352 3.007 20 0 FGADHM C[C@@H](CSc1ccc(F)cc1)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000481906160 501914227 /nfs/dbraw/zinc/91/42/27/501914227.db2.gz CUOPDKADFQIFSH-QMMMGPOBSA-N -1 3 362.352 3.007 20 0 FGADHM CCc1ncc(S(=O)(=O)[N-]c2c(F)cccc2Br)s1 ZINC000460765906 501916310 /nfs/dbraw/zinc/91/63/10/501916310.db2.gz GPNGNCWFCWIYBT-UHFFFAOYSA-N -1 3 365.249 3.408 20 0 FGADHM COC(=O)c1cc(C(=O)[N-]c2cc(Br)ccc2Cl)no1 ZINC000485725862 501917306 /nfs/dbraw/zinc/91/73/06/501917306.db2.gz OBXBVRQYBOTNJH-UHFFFAOYSA-N -1 3 359.563 3.129 20 0 FGADHM Cc1nc(-c2ccccc2)ccc1C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000481920268 501919505 /nfs/dbraw/zinc/91/95/05/501919505.db2.gz UKBSZBMFDPHVOR-UHFFFAOYSA-N -1 3 361.327 3.124 20 0 FGADHM Cc1nc(-c2ccccc2)ccc1C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000481920268 501919506 /nfs/dbraw/zinc/91/95/06/501919506.db2.gz UKBSZBMFDPHVOR-UHFFFAOYSA-N -1 3 361.327 3.124 20 0 FGADHM Cc1nc(-c2ccccc2)ccc1C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000481920268 501919507 /nfs/dbraw/zinc/91/95/07/501919507.db2.gz UKBSZBMFDPHVOR-UHFFFAOYSA-N -1 3 361.327 3.124 20 0 FGADHM Cc1cc(C)cc(-c2n[n-]c(=NC(=O)N(C)C[C@@H]3CCCN(C)C3)s2)c1 ZINC000481955991 501928650 /nfs/dbraw/zinc/92/86/50/501928650.db2.gz JNNOGJYXXWEQJU-OAHLLOKOSA-N -1 3 373.526 3.049 20 0 FGADHM O=C(NCc1ncccc1[O-])Nc1ccc(OC(F)F)c2cccnc12 ZINC000468010490 501928782 /nfs/dbraw/zinc/92/87/82/501928782.db2.gz YYPVMYDKRLEANG-UHFFFAOYSA-N -1 3 360.320 3.259 20 0 FGADHM Cc1cc(Br)c(F)cc1NC(=O)NCc1ncccc1[O-] ZINC000468012075 501929262 /nfs/dbraw/zinc/92/92/62/501929262.db2.gz QDRGQFIUWIRJPK-UHFFFAOYSA-N -1 3 354.179 3.319 20 0 FGADHM CN(C)[C@@H](C(=O)NCc1ccc([O-])c(F)c1)c1c(F)cccc1Cl ZINC000478284455 501932023 /nfs/dbraw/zinc/93/20/23/501932023.db2.gz UAMTYOUHBJBNFQ-MRXNPFEDSA-N -1 3 354.784 3.243 20 0 FGADHM Cc1ccc(O[C@H](C)C(=O)Nc2nnc(-c3c(F)cccc3F)[n-]2)cc1 ZINC000478309476 501938250 /nfs/dbraw/zinc/93/82/50/501938250.db2.gz IBSSOAPZWZQKFU-LLVKDONJSA-N -1 3 358.348 3.464 20 0 FGADHM Cc1ccc(O[C@H](C)C(=O)Nc2nc(-c3c(F)cccc3F)n[n-]2)cc1 ZINC000478309476 501938256 /nfs/dbraw/zinc/93/82/56/501938256.db2.gz IBSSOAPZWZQKFU-LLVKDONJSA-N -1 3 358.348 3.464 20 0 FGADHM Cc1ccc(O[C@H](C)C(=O)Nc2n[n-]c(-c3c(F)cccc3F)n2)cc1 ZINC000478309476 501938261 /nfs/dbraw/zinc/93/82/61/501938261.db2.gz IBSSOAPZWZQKFU-LLVKDONJSA-N -1 3 358.348 3.464 20 0 FGADHM CCc1ncc(S(=O)(=O)[N-]CC2CCC(C(F)(F)F)CC2)s1 ZINC000460902198 501954524 /nfs/dbraw/zinc/95/45/24/501954524.db2.gz PLUUKKCIZIESPX-UHFFFAOYSA-N -1 3 356.435 3.353 20 0 FGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1cccc(-c2nccc(C)n2)c1 ZINC000474798533 501955891 /nfs/dbraw/zinc/95/58/91/501955891.db2.gz LTICHQSSOQLFBK-UHFFFAOYSA-N -1 3 367.434 3.230 20 0 FGADHM CC[C@H]1CC[C@@H](C)N1C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482055492 501959432 /nfs/dbraw/zinc/95/94/32/501959432.db2.gz YPKOGQYLOABYTG-PWSUYJOCSA-N -1 3 351.248 3.314 20 0 FGADHM Cc1cc(C(=O)N2CC=C(c3ccccc3C(F)(F)F)CC2)[n-]c(=O)n1 ZINC000478400129 501966860 /nfs/dbraw/zinc/96/68/60/501966860.db2.gz SULSFPOPXOSXRT-UHFFFAOYSA-N -1 3 363.339 3.439 20 0 FGADHM O=C(NCc1ncccc1[O-])Nc1ccccc1OC[C@@H]1CCCCO1 ZINC000471253428 501968658 /nfs/dbraw/zinc/96/86/58/501968658.db2.gz MTORZLHOCWDWSC-AWEZNQCLSA-N -1 3 357.410 3.057 20 0 FGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)N[C@@H]1CC12CCCCC2 ZINC000482098784 501975205 /nfs/dbraw/zinc/97/52/05/501975205.db2.gz FJMKEBYMVIIKDW-CYBMUJFWSA-N -1 3 363.259 3.363 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-]CCc1ccccc1C(F)(F)F ZINC000471303265 501983869 /nfs/dbraw/zinc/98/38/69/501983869.db2.gz GTAHGSXGQDXHGI-UHFFFAOYSA-N -1 3 365.398 3.297 20 0 FGADHM CCOc1ccc(C[N-]S(=O)(=O)c2c(F)cccc2Cl)cc1F ZINC000464417857 501984270 /nfs/dbraw/zinc/98/42/70/501984270.db2.gz IVXOZWHYOHZYIW-UHFFFAOYSA-N -1 3 361.797 3.495 20 0 FGADHM COc1cc(C(=O)Nc2ccc(OC3CCCC3)nc2)cc(OC)c1[O-] ZINC000485915049 501986222 /nfs/dbraw/zinc/98/62/22/501986222.db2.gz FMAQHRCMQPEVCC-UHFFFAOYSA-N -1 3 358.394 3.378 20 0 FGADHM CC[C@@H]1CCC[C@@H]1NC(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482164288 501994521 /nfs/dbraw/zinc/99/45/21/501994521.db2.gz ABISKUFDYWUXMS-MFKMUULPSA-N -1 3 351.248 3.219 20 0 FGADHM O=C(CNC(=O)c1cccc([O-])c1)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000471385644 502006819 /nfs/dbraw/zinc/00/68/19/502006819.db2.gz OEFQEGFLELFRDK-FQEVSTJZSA-N -1 3 370.424 3.309 20 0 FGADHM CCc1cc(C(=O)NC[C@@H](c2ccc(C)cc2)N2CCOCC2)ccc1[O-] ZINC000485975902 502007797 /nfs/dbraw/zinc/00/77/97/502007797.db2.gz FZEMSMWPCNUEGS-FQEVSTJZSA-N -1 3 368.477 3.066 20 0 FGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)Cc1ccc(Cl)c(F)c1 ZINC000468263505 502010579 /nfs/dbraw/zinc/01/05/79/502010579.db2.gz XRYXRVRPLQFYNF-UHFFFAOYSA-N -1 3 356.806 3.032 20 0 FGADHM C[C@H]1C[C@@H]1c1ccc(CN(C(=O)CNC(=O)c2cccc([O-])c2)C2CC2)o1 ZINC000471407429 502015737 /nfs/dbraw/zinc/01/57/37/502015737.db2.gz QAYXJDXJIBRUFB-UGSOOPFHSA-N -1 3 368.433 3.030 20 0 FGADHM Cc1cncc([N-]S(=O)(=O)CCc2ccccc2Br)c1 ZINC000461117387 502017895 /nfs/dbraw/zinc/01/78/95/502017895.db2.gz UGYGLRBSVGRJOR-UHFFFAOYSA-N -1 3 355.257 3.137 20 0 FGADHM CC(C)CCc1cc(=NC(=O)Cc2ccc(Br)cc2[O-])[nH][nH]1 ZINC000471413906 502019231 /nfs/dbraw/zinc/01/92/31/502019231.db2.gz RYYAWJBXWDHLCI-UHFFFAOYSA-N -1 3 366.259 3.070 20 0 FGADHM COc1cc(C=Cc2cc(=O)[n-]c(-c3ccncc3)n2)cc(OC)c1OC ZINC000486071852 502037279 /nfs/dbraw/zinc/03/72/79/502037279.db2.gz AMIJQOBDGUQARL-PLNGDYQASA-N -1 3 365.389 3.028 20 0 FGADHM Cc1nc(C)c(CCC(=O)N2CCc3c(F)cc(F)cc3[C@@H]2C)c(=O)[n-]1 ZINC000468366174 502037312 /nfs/dbraw/zinc/03/73/12/502037312.db2.gz AAFVERLXDDWBOV-NSHDSACASA-N -1 3 361.392 3.156 20 0 FGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)[C@H]1COc2ccccc21 ZINC000486077824 502039268 /nfs/dbraw/zinc/03/92/68/502039268.db2.gz NAKPYQUMENAXPI-BXUZGUMPSA-N -1 3 367.854 3.192 20 0 FGADHM CCC(CC)n1nccc1C(=O)N=c1nc(-c2ccccc2Cl)[n-]n1C ZINC000461229503 502045852 /nfs/dbraw/zinc/04/58/52/502045852.db2.gz MRBVDKJYBICNPR-UHFFFAOYSA-N -1 3 372.860 3.367 20 0 FGADHM COc1c(C)cc(C(=O)N=c2nc(-c3ccccc3Cl)[n-]n2C)cc1C ZINC000461233121 502047501 /nfs/dbraw/zinc/04/75/01/502047501.db2.gz GBAYRTVRJKMMJR-UHFFFAOYSA-N -1 3 370.840 3.435 20 0 FGADHM COC(=O)c1cc(F)cc([N-]S(=O)(=O)c2ccc(C)cc2C)c1F ZINC000478704601 502063603 /nfs/dbraw/zinc/06/36/03/502063603.db2.gz ZJXINQYRCMDMIY-UHFFFAOYSA-N -1 3 355.362 3.169 20 0 FGADHM Cc1c(Br)cccc1CC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000478743704 502072812 /nfs/dbraw/zinc/07/28/12/502072812.db2.gz GLXZYDAXJVYRHW-UHFFFAOYSA-N -1 3 372.226 3.119 20 0 FGADHM Cc1c(Br)cccc1CC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000478743704 502072815 /nfs/dbraw/zinc/07/28/15/502072815.db2.gz GLXZYDAXJVYRHW-UHFFFAOYSA-N -1 3 372.226 3.119 20 0 FGADHM COc1cccc2c(C(=O)Nc3ccnn3Cc3ccc(F)cc3)[n-]nc21 ZINC000486197723 502080487 /nfs/dbraw/zinc/08/04/87/502080487.db2.gz RXPURSSOJHNHLT-UHFFFAOYSA-N -1 3 365.368 3.208 20 0 FGADHM COc1cccc2c(C(=O)Nc3ccnn3Cc3ccc(F)cc3)n[n-]c21 ZINC000486197723 502080490 /nfs/dbraw/zinc/08/04/90/502080490.db2.gz RXPURSSOJHNHLT-UHFFFAOYSA-N -1 3 365.368 3.208 20 0 FGADHM O=C(CCOc1ccc2ccccc2c1)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000486239506 502095606 /nfs/dbraw/zinc/09/56/06/502095606.db2.gz 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FGADHM COCCOCc1ccc(CNC(=O)Cc2ccc([O-])cc2Cl)cc1 ZINC000462464105 502449639 /nfs/dbraw/zinc/44/96/39/502449639.db2.gz ABTYGFJVUTZUQS-UHFFFAOYSA-N -1 3 363.841 3.068 20 0 FGADHM Cc1onc(-c2ccccc2C)c1C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000476339957 502462364 /nfs/dbraw/zinc/46/23/64/502462364.db2.gz ZLTMSZWPSOLGLM-UHFFFAOYSA-N -1 3 374.404 3.315 20 0 FGADHM Cc1onc(-c2ccccc2C)c1C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000476339957 502462371 /nfs/dbraw/zinc/46/23/71/502462371.db2.gz ZLTMSZWPSOLGLM-UHFFFAOYSA-N -1 3 374.404 3.315 20 0 FGADHM Cc1c(F)ccc(Cl)c1C(=O)NCCCNC(=O)c1cccc([O-])c1 ZINC000476355630 502467781 /nfs/dbraw/zinc/46/77/81/502467781.db2.gz HFFFBKRWXRGWNM-UHFFFAOYSA-N -1 3 364.804 3.043 20 0 FGADHM Cc1coc2ccc(NC(=O)c3cccc([C@]4(C)NC(=O)[N-]C4=O)c3)cc12 ZINC000480079711 502468034 /nfs/dbraw/zinc/46/80/34/502468034.db2.gz JPKQKAGVSZBAIW-FQEVSTJZSA-N -1 3 363.373 3.048 20 0 FGADHM Cc1noc2ncc(S(=O)(=O)[N-]c3cc(F)c(F)cc3Cl)cc12 ZINC000476392271 502478323 /nfs/dbraw/zinc/47/83/23/502478323.db2.gz NNWAIVDLSJQRIN-UHFFFAOYSA-N -1 3 359.741 3.264 20 0 FGADHM Cc1cc(C)c(-c2cc(=NC(=O)Cc3ccc4c[nH]nc4c3)[nH][n-]2)cc1C ZINC000487575111 502482677 /nfs/dbraw/zinc/48/26/77/502482677.db2.gz OBGSOGNHPFCTNI-UHFFFAOYSA-N -1 3 359.433 3.481 20 0 FGADHM COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1C=CCCC1 ZINC000476430917 502487247 /nfs/dbraw/zinc/48/72/47/502487247.db2.gz FVUFOTXBIXZVAO-AWEZNQCLSA-N -1 3 359.875 3.142 20 0 FGADHM CCOc1nc2ccc(C(=O)Nc3ccc4c(c3)CCCC(=O)N4)cc2[n-]1 ZINC000469651544 502491863 /nfs/dbraw/zinc/49/18/63/502491863.db2.gz MLCBDDMONLNWQD-UHFFFAOYSA-N -1 3 364.405 3.489 20 0 FGADHM CCOc1nc2cc(C(=O)Nc3ccc4c(c3)CCCC(=O)N4)ccc2[n-]1 ZINC000469651544 502491869 /nfs/dbraw/zinc/49/18/69/502491869.db2.gz MLCBDDMONLNWQD-UHFFFAOYSA-N -1 3 364.405 3.489 20 0 FGADHM CCCc1cccc(C(C)C)c1NC(=O)C(=O)NCc1ncccc1[O-] ZINC000473049983 502509471 /nfs/dbraw/zinc/50/94/71/502509471.db2.gz TZJFBTNGSYNAIS-UHFFFAOYSA-N -1 3 355.438 3.118 20 0 FGADHM CCOc1nc2ccc(C(=O)Nc3ccc(O[C@@H]4CCOC4)cc3)cc2[n-]1 ZINC000469705040 502509573 /nfs/dbraw/zinc/50/95/73/502509573.db2.gz ZEFOMTHUCNTGGV-MRXNPFEDSA-N -1 3 367.405 3.382 20 0 FGADHM CCOc1nc2cc(C(=O)Nc3ccc(O[C@@H]4CCOC4)cc3)ccc2[n-]1 ZINC000469705040 502509577 /nfs/dbraw/zinc/50/95/77/502509577.db2.gz ZEFOMTHUCNTGGV-MRXNPFEDSA-N -1 3 367.405 3.382 20 0 FGADHM C[C@H](NC(=O)c1cnc2c(cnn2C)c1[O-])c1cc2cccc(F)c2o1 ZINC000476518374 502512288 /nfs/dbraw/zinc/51/22/88/502512288.db2.gz CMEIMKFPZLHMPZ-VIFPVBQESA-N -1 3 354.341 3.050 20 0 FGADHM CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(OC)ccc2Cl)C12CCCC2 ZINC000462665648 502527441 /nfs/dbraw/zinc/52/74/41/502527441.db2.gz JXBOLYXWOHIMNI-CVEARBPZSA-N -1 3 373.902 3.365 20 0 FGADHM Cc1cccc(O[C@@H](C)C[N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)c1 ZINC000462715928 502546061 /nfs/dbraw/zinc/54/60/61/502546061.db2.gz CCWCOBBQYIONQT-NSHDSACASA-N -1 3 359.369 3.158 20 0 FGADHM O=C(N[C@H]1CSc2ccc(Br)cc21)c1csc(=O)[n-]1 ZINC000473227355 502547452 /nfs/dbraw/zinc/54/74/52/502547452.db2.gz YKWNPSNQWPFMCS-QMMMGPOBSA-N -1 3 357.254 3.188 20 0 FGADHM Cc1nc(S(=O)(=O)[N-][C@H](c2ccc(Cl)cc2)[C@@H]2C[C@H]2C)cn1C ZINC000462721921 502549656 /nfs/dbraw/zinc/54/96/56/502549656.db2.gz NXCVVPBWDIKYAD-QSGSBWRWSA-N -1 3 353.875 3.058 20 0 FGADHM CCOc1ccc(NC(=O)NCc2nnc(C(F)(F)F)[n-]2)cc1Cl ZINC000480379732 502552264 /nfs/dbraw/zinc/55/22/64/502552264.db2.gz BHWMKRLWYSXSLG-UHFFFAOYSA-N -1 3 363.727 3.197 20 0 FGADHM CCOc1ccc(NC(=O)NCc2n[n-]c(C(F)(F)F)n2)cc1Cl ZINC000480379732 502552272 /nfs/dbraw/zinc/55/22/72/502552272.db2.gz BHWMKRLWYSXSLG-UHFFFAOYSA-N -1 3 363.727 3.197 20 0 FGADHM CCOc1ccc(NC(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1Cl ZINC000480379732 502552276 /nfs/dbraw/zinc/55/22/76/502552276.db2.gz BHWMKRLWYSXSLG-UHFFFAOYSA-N -1 3 363.727 3.197 20 0 FGADHM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]CCC1(C)CC1 ZINC000480431534 502568025 /nfs/dbraw/zinc/56/80/25/502568025.db2.gz ZVMVQCQVUXIYOH-LBPRGKRZSA-N -1 3 361.891 3.222 20 0 FGADHM O=C([N-]c1cc2c(cc1F)NC(=O)CC2)c1noc(-c2ccccc2)n1 ZINC000469876647 502580015 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CC(C)=CCC[N-]S(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000480699300 502646079 /nfs/dbraw/zinc/64/60/79/502646079.db2.gz OSBJKSPJMLPDRO-UHFFFAOYSA-N -1 3 360.273 3.019 20 0 FGADHM CC(C)=CCC[N-]S(=O)(=O)c1ccc(CCNC(=O)CC(C)C)s1 ZINC000480733569 502655855 /nfs/dbraw/zinc/65/58/55/502655855.db2.gz ORGFQBYZHIFBAN-UHFFFAOYSA-N -1 3 372.556 3.088 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]Cc2cccc(-c3cccnc3)c2)c(F)c1 ZINC000480736001 502657424 /nfs/dbraw/zinc/65/74/24/502657424.db2.gz SNDOSOUZSPBQMR-UHFFFAOYSA-N -1 3 372.421 3.375 20 0 FGADHM Cc1cc(C(=O)NCc2ncccc2[O-])c2ccc(Br)cc2n1 ZINC000473639262 502663687 /nfs/dbraw/zinc/66/36/87/502663687.db2.gz PLXMWLGNJAKCQL-UHFFFAOYSA-N -1 3 372.222 3.336 20 0 FGADHM C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)NCc1ncccc1[O-] ZINC000473642913 502665671 /nfs/dbraw/zinc/66/56/71/502665671.db2.gz YMAGWCOUCPHZLT-JTQLQIEISA-N -1 3 367.218 3.184 20 0 FGADHM Cc1ccc(F)c(S(=O)(=O)[N-]C[C@@](C)(Cc2ccccc2)[C@H](C)O)c1 ZINC000480774252 502667464 /nfs/dbraw/zinc/66/74/64/502667464.db2.gz YQCFGKDGNSNRPP-HNAYVOBHSA-N -1 3 365.470 3.042 20 0 FGADHM CC(C)C1CCC([N-]S(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)CC1 ZINC000477104499 502678255 /nfs/dbraw/zinc/67/82/55/502678255.db2.gz XATXMJIECCWEGY-UHFFFAOYSA-N -1 3 368.474 3.204 20 0 FGADHM O=C(NCc1ncccc1[O-])Nc1ccc(Oc2ccccc2F)nc1 ZINC000470153066 502681641 /nfs/dbraw/zinc/68/16/41/502681641.db2.gz WJYSJKQCHIKAGN-UHFFFAOYSA-N -1 3 354.341 3.435 20 0 FGADHM COc1ccc([O-])c(C(=O)Nc2nn(-c3ccc(Cl)cc3)cc2C)c1 ZINC000466799360 502683482 /nfs/dbraw/zinc/68/34/82/502683482.db2.gz FTHBWGWPAOMBPW-UHFFFAOYSA-N -1 3 357.797 3.223 20 0 FGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]Cc3ccc(F)cn3)s2)cs1 ZINC000480866503 502694764 /nfs/dbraw/zinc/69/47/64/502694764.db2.gz AOZBQRLFGPTFAF-UHFFFAOYSA-N -1 3 369.468 3.193 20 0 FGADHM Cc1cc2cccnc2c(NC(=O)NCc2nnc(C(F)(F)F)[n-]2)c1 ZINC000480958163 502713931 /nfs/dbraw/zinc/71/39/31/502713931.db2.gz OYINLFTUJAFOMM-UHFFFAOYSA-N -1 3 350.304 3.002 20 0 FGADHM Cc1cc2cccnc2c(NC(=O)NCc2n[n-]c(C(F)(F)F)n2)c1 ZINC000480958163 502713936 /nfs/dbraw/zinc/71/39/36/502713936.db2.gz OYINLFTUJAFOMM-UHFFFAOYSA-N -1 3 350.304 3.002 20 0 FGADHM Cc1cc2cccnc2c(NC(=O)NCc2nc(C(F)(F)F)n[n-]2)c1 ZINC000480958163 502713943 /nfs/dbraw/zinc/71/39/43/502713943.db2.gz OYINLFTUJAFOMM-UHFFFAOYSA-N -1 3 350.304 3.002 20 0 FGADHM O=S(=O)([N-]c1ccc(F)c(-c2nc[nH]n2)c1)c1ccc(F)cc1Cl ZINC000470241575 502714203 /nfs/dbraw/zinc/71/42/03/502714203.db2.gz AYHUDMYVJJKICB-UHFFFAOYSA-N -1 3 370.768 3.204 20 0 FGADHM O=S(=O)([N-]Cc1noc2ccccc21)c1ccc(F)cc1C(F)(F)F ZINC000470247196 502715660 /nfs/dbraw/zinc/71/56/60/502715660.db2.gz RYXHRPMYWDUMKZ-UHFFFAOYSA-N -1 3 374.315 3.464 20 0 FGADHM CCCOc1cc(F)ccc1NC(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000480987993 502721547 /nfs/dbraw/zinc/72/15/47/502721547.db2.gz HPEKPNQYUDZDFX-UHFFFAOYSA-N -1 3 361.299 3.073 20 0 FGADHM CCCOc1cc(F)ccc1NC(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000480987993 502721550 /nfs/dbraw/zinc/72/15/50/502721550.db2.gz HPEKPNQYUDZDFX-UHFFFAOYSA-N -1 3 361.299 3.073 20 0 FGADHM CCCOc1cc(F)ccc1NC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000480987993 502721553 /nfs/dbraw/zinc/72/15/53/502721553.db2.gz HPEKPNQYUDZDFX-UHFFFAOYSA-N -1 3 361.299 3.073 20 0 FGADHM Cc1cc(C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)nn1-c1ccc(Cl)cc1 ZINC000473850163 502723809 /nfs/dbraw/zinc/72/38/09/502723809.db2.gz ZQHVGMHQBICDGL-INIZCTEOSA-N -1 3 371.828 3.083 20 0 FGADHM Cc1ccc([O-])c(C(=O)NCc2ccc(C)nc2-n2cc(Cl)cn2)c1 ZINC000470313930 502733095 /nfs/dbraw/zinc/73/30/95/502733095.db2.gz PMELFXXFAZUUKC-UHFFFAOYSA-N -1 3 356.813 3.173 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]Cc2ccccc2OCC2CC2)c(F)c1 ZINC000481062641 502744394 /nfs/dbraw/zinc/74/43/94/502744394.db2.gz RNXITYILGVBOFH-UHFFFAOYSA-N -1 3 365.426 3.102 20 0 FGADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)Nc1ccc(OC2CCC2)c(F)c1 ZINC000481077045 502748758 /nfs/dbraw/zinc/74/87/58/502748758.db2.gz UTSGLGXTQJRERA-UHFFFAOYSA-N -1 3 373.310 3.216 20 0 FGADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)Nc1ccc(OC2CCC2)c(F)c1 ZINC000481077045 502748759 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/nfs/dbraw/zinc/38/96/92/503389692.db2.gz QXMNUUQBFMVMPE-UHFFFAOYSA-N -1 3 361.373 3.199 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)c3cnnc(-c4ccccc4)c3)[n-]c21 ZINC000515719187 503390280 /nfs/dbraw/zinc/39/02/80/503390280.db2.gz XYNCVYLUBPPRRL-UHFFFAOYSA-N -1 3 373.372 3.059 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cnnc(-c4ccccc4)c3)nc21 ZINC000515719187 503390285 /nfs/dbraw/zinc/39/02/85/503390285.db2.gz XYNCVYLUBPPRRL-UHFFFAOYSA-N -1 3 373.372 3.059 20 0 FGADHM CCCCc1nc2ccc([N-]S(=O)(=O)c3ccc(OC)nc3)cc2[nH]1 ZINC000507910601 503393219 /nfs/dbraw/zinc/39/32/19/503393219.db2.gz XUPAECMOGBIUCX-UHFFFAOYSA-N -1 3 360.439 3.110 20 0 FGADHM CCOC(=O)c1ccc(C(=O)[N-]c2c(C)noc2-c2ccccc2)nc1 ZINC000499396007 503395171 /nfs/dbraw/zinc/39/51/71/503395171.db2.gz CBWMMMHETUTCTN-UHFFFAOYSA-N -1 3 351.362 3.474 20 0 FGADHM COc1cc2c(cc1F)[n-]cc(C(=O)Nc1cccc(C(C)=O)c1)c2=O ZINC000507966897 503405700 /nfs/dbraw/zinc/40/57/00/503405700.db2.gz SEIRCLLTCGYIPC-UHFFFAOYSA-N -1 3 354.337 3.131 20 0 FGADHM O=C(N[C@H](CCc1ccccc1)C(F)(F)F)c1cc(F)cc2nn[n-]c21 ZINC000503519600 503427265 /nfs/dbraw/zinc/42/72/65/503427265.db2.gz SCCPDIZMXSAUQL-CQSZACIVSA-N -1 3 366.318 3.391 20 0 FGADHM O=C(N[C@H](CCc1ccccc1)C(F)(F)F)c1cc(F)cc2[n-]nnc21 ZINC000503519600 503427270 /nfs/dbraw/zinc/42/72/70/503427270.db2.gz SCCPDIZMXSAUQL-CQSZACIVSA-N -1 3 366.318 3.391 20 0 FGADHM O=C(N[C@H](CCc1ccccc1)C(F)(F)F)c1cc(F)cc2n[n-]nc21 ZINC000503519600 503427274 /nfs/dbraw/zinc/42/72/74/503427274.db2.gz SCCPDIZMXSAUQL-CQSZACIVSA-N -1 3 366.318 3.391 20 0 FGADHM CCCCOc1ccc(OC)cc1NC(=O)c1cnc2c(cnn2C)c1[O-] ZINC000511981331 503427905 /nfs/dbraw/zinc/42/79/05/503427905.db2.gz HXYRHDNYIUVVHJ-UHFFFAOYSA-N -1 3 370.409 3.114 20 0 FGADHM COC(=O)c1cc(C)c([N-]S(=O)(=O)c2ccccc2OC)c(Cl)c1 ZINC000508140967 503440337 /nfs/dbraw/zinc/44/03/37/503440337.db2.gz CIHVQSKCSRFLMW-UHFFFAOYSA-N -1 3 369.826 3.244 20 0 FGADHM CC(C)Oc1cc(C[N-]S(=O)(=O)c2cccc(Cl)c2F)ccn1 ZINC000508212943 503455309 /nfs/dbraw/zinc/45/53/09/503455309.db2.gz 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ZINC000508376174 503484818 /nfs/dbraw/zinc/48/48/18/503484818.db2.gz HYCAYIKYCXTWRE-UHFFFAOYSA-N -1 3 368.477 3.070 20 0 FGADHM O=C(NCCCNC(=O)c1cccc([O-])c1)c1cc2cc(Cl)ccc2o1 ZINC000508377686 503485140 /nfs/dbraw/zinc/48/51/40/503485140.db2.gz LXTACMJWEJNZHA-UHFFFAOYSA-N -1 3 372.808 3.342 20 0 FGADHM O=C(Cc1ccc(Br)cc1[O-])NCCC[C@@H]1CCCCO1 ZINC000499804588 503486446 /nfs/dbraw/zinc/48/64/46/503486446.db2.gz ZPTHWZAUFIPHMO-AWEZNQCLSA-N -1 3 356.260 3.163 20 0 FGADHM CC[C@@H](C)c1nc([C@H](C)[N-]S(=O)(=O)c2cc3cc(F)ccc3o2)n[nH]1 ZINC000582707486 506375826 /nfs/dbraw/zinc/37/58/26/506375826.db2.gz UPLPHEVSJGRYPW-ZJUUUORDSA-N -1 3 366.418 3.243 20 0 FGADHM CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)N=c2cc(-c3ccccc3C)[n-][nH]2)C1 ZINC000512321552 503519987 /nfs/dbraw/zinc/51/99/87/503519987.db2.gz JVDGSDKGDIBIHU-ZBFHGGJFSA-N -1 3 368.481 3.030 20 0 FGADHM O=C(N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1)c1cncs1 ZINC000512353737 503526651 /nfs/dbraw/zinc/52/66/51/503526651.db2.gz SKUSLRFXXBEFBD-UHFFFAOYSA-N -1 3 367.203 3.109 20 0 FGADHM Cc1cc(C(=O)N2CCN(c3ccnc(-c4ccccc4)n3)CC2)ccc1[O-] ZINC000499993746 503529421 /nfs/dbraw/zinc/52/94/21/503529421.db2.gz VLPKVMORIBVXOV-UHFFFAOYSA-N -1 3 374.444 3.120 20 0 FGADHM CN(CCN1CCN(c2ccccc2)CC1)Cc1cccc([O-])c1Cl ZINC000508693955 503544664 /nfs/dbraw/zinc/54/46/64/503544664.db2.gz KFYBVZUMPGBPBR-UHFFFAOYSA-N -1 3 359.901 3.300 20 0 FGADHM CN(C)c1nc(-c2nc(-c3cccc(-c4cscn4)c3)no2)cc(=O)[n-]1 ZINC000516604495 503547488 /nfs/dbraw/zinc/54/74/88/503547488.db2.gz UDUCCSQYWVOUKF-UHFFFAOYSA-N -1 3 366.406 3.089 20 0 FGADHM Cc1ncc(CNC(=O)[C@H](C)Oc2ccc(Cl)c3ccccc23)c(=O)[n-]1 ZINC000504281701 503548237 /nfs/dbraw/zinc/54/82/37/503548237.db2.gz ORYQHCJTBYCZLE-NSHDSACASA-N -1 3 371.824 3.381 20 0 FGADHM Cc1n[nH]cc1-c1nnc([N-]C(=O)c2cnc3c(F)ccc(F)c3c2)s1 ZINC000504293785 503550435 /nfs/dbraw/zinc/55/04/35/503550435.db2.gz SXSFCZBKUHJABC-UHFFFAOYSA-N -1 3 372.360 3.315 20 0 FGADHM CCCCCn1cc(CNC(=O)c2c[n-]c3ccccc3c2=O)c(C)n1 ZINC000504304517 503552708 /nfs/dbraw/zinc/55/27/08/503552708.db2.gz NXXMNLWMYXCGKK-UHFFFAOYSA-N -1 3 352.438 3.153 20 0 FGADHM COC(=O)c1sccc1S(=O)(=O)[N-]C[C@]1(C)C[C@H]1c1ccccc1 ZINC000516666118 503564262 /nfs/dbraw/zinc/56/42/62/503564262.db2.gz HMARJJFPNIVWSG-GUYCJALGSA-N -1 3 365.476 3.007 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]Cc2ccncc2C)c(Cl)c1Cl ZINC000494583473 503568620 /nfs/dbraw/zinc/56/86/20/503568620.db2.gz DTMWKAUSDWHHKF-UHFFFAOYSA-N -1 3 361.250 3.184 20 0 FGADHM COCCOc1cccc(C(=O)N=c2cc(-c3cc(C)cc(C)c3)[n-][nH]2)c1 ZINC000512536442 503579307 /nfs/dbraw/zinc/57/93/07/503579307.db2.gz SDDQVXUKMXAYAC-UHFFFAOYSA-N -1 3 365.433 3.393 20 0 FGADHM CC(C)c1ccc(C[C@H](C)NC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)cc1 ZINC000500242030 503586829 /nfs/dbraw/zinc/58/68/29/503586829.db2.gz DHJADZMYESZWEJ-ZDUSSCGKSA-N -1 3 365.433 3.446 20 0 FGADHM CN(Cc1ccccc1N1CCCC1)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000512587379 503590394 /nfs/dbraw/zinc/59/03/94/503590394.db2.gz PHHMQMMCPKMAAD-UHFFFAOYSA-N -1 3 361.445 3.401 20 0 FGADHM Cc1ccc([O-])c(CNc2cccc(S(=O)(=O)NC(C)(C)C)c2C)n1 ZINC000512599461 503592584 /nfs/dbraw/zinc/59/25/84/503592584.db2.gz DCNLTLAHXZXQBI-UHFFFAOYSA-N -1 3 363.483 3.093 20 0 FGADHM Cc1ccc(CS(=O)(=O)[N-]C[C@]2(C)OCCc3sccc32)c(F)c1 ZINC000516819669 503593178 /nfs/dbraw/zinc/59/31/78/503593178.db2.gz YWRJIUFYACITRS-KRWDZBQOSA-N -1 3 369.483 3.103 20 0 FGADHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-]C2CCC(C)(C)CC2)s1 ZINC000608027622 506382486 /nfs/dbraw/zinc/38/24/86/506382486.db2.gz VGCPQUPNHFNVSR-NSHDSACASA-N -1 3 358.529 3.192 20 0 FGADHM CCN(CC)C(=O)Cn1ccc2cc(NC(=O)c3cccc([O-])c3)ccc21 ZINC000509052799 503630979 /nfs/dbraw/zinc/63/09/79/503630979.db2.gz LJMNBBAYYRNYTQ-UHFFFAOYSA-N -1 3 365.433 3.468 20 0 FGADHM O=C(Cc1ccc([O-])cc1Cl)NCCc1ccn(-c2ccccc2)n1 ZINC000509064943 503633505 /nfs/dbraw/zinc/63/35/05/503633505.db2.gz DCRYDCNLBDMJKU-UHFFFAOYSA-N -1 3 355.825 3.133 20 0 FGADHM C[C@@H](Cc1ccccc1)C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000509068615 503634636 /nfs/dbraw/zinc/63/46/36/503634636.db2.gz USRGYUHCYQQAMP-LBPRGKRZSA-N -1 3 358.239 3.336 20 0 FGADHM O=C(NCCOCC(F)(F)F)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000494916728 503635513 /nfs/dbraw/zinc/63/55/13/503635513.db2.gz UZRJKRHQIPVIEF-UHFFFAOYSA-N -1 3 353.753 3.100 20 0 FGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@]3(C)CCO[C@@H]3C)s2)cs1 ZINC000543170662 503657570 /nfs/dbraw/zinc/65/75/70/503657570.db2.gz VXLRPKSNGUAXOF-YMTOWFKASA-N -1 3 358.510 3.026 20 0 FGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@@]3(C)CCO[C@H]3C)s2)cs1 ZINC000543170661 503657756 /nfs/dbraw/zinc/65/77/56/503657756.db2.gz VXLRPKSNGUAXOF-XPTSAGLGSA-N -1 3 358.510 3.026 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2F)c2cccnc12 ZINC000517156848 503658447 /nfs/dbraw/zinc/65/84/47/503658447.db2.gz RKGGLYFOWGYBHU-UHFFFAOYSA-N -1 3 368.336 3.462 20 0 FGADHM Cc1ccc([O-])c(CN2CCCC[C@H]2C(=O)Nc2ccc3c(c2)CCO3)n1 ZINC000536661567 503666826 /nfs/dbraw/zinc/66/68/26/503666826.db2.gz YRYYXRPAZKVLSV-SFHVURJKSA-N -1 3 367.449 3.024 20 0 FGADHM CCN(Cc1ccc(C(=O)N=c2nc(C3(C)CC3)[n-]s2)cc1)C(C)C ZINC000529704514 503668195 /nfs/dbraw/zinc/66/81/95/503668195.db2.gz NFSOQZKQZPKZTJ-UHFFFAOYSA-N -1 3 358.511 3.494 20 0 FGADHM CC(C)c1nc2ccc(NC(=O)CNC(=O)c3cccc([O-])c3)cc2s1 ZINC000495118156 503674409 /nfs/dbraw/zinc/67/44/09/503674409.db2.gz HGWPHJTXUPZRAY-UHFFFAOYSA-N -1 3 369.446 3.494 20 0 FGADHM CC[C@H]1CC[C@@H](C)N1C(=O)Cc1csc(NC(=O)c2cccc([O-])c2)n1 ZINC000540123014 503679678 /nfs/dbraw/zinc/67/96/78/503679678.db2.gz KVALBQYBHGJNMI-DOMZBBRYSA-N -1 3 373.478 3.433 20 0 FGADHM Cc1cccc(C=Cc2nc(-c3ccc([C@@]4(C)NC(=O)[N-]C4=O)cc3)no2)c1 ZINC000546236648 503682806 /nfs/dbraw/zinc/68/28/06/503682806.db2.gz JAJPOPVQHAVMSS-JLXOPUERSA-N -1 3 374.400 3.270 20 0 FGADHM C[C@H]1CC(C[N-]S(=O)(=O)c2csc(-c3ccccc3)n2)C[C@H](C)O1 ZINC000546268255 503693364 /nfs/dbraw/zinc/69/33/64/503693364.db2.gz RHLZTPBQNPDTCI-STQMWFEESA-N -1 3 366.508 3.292 20 0 FGADHM CCCS(=O)(=O)[N-]c1ccc(C(=O)Nc2cccc3c2OCC3)cc1 ZINC000529806565 503709710 /nfs/dbraw/zinc/70/97/10/503709710.db2.gz WLVJWIUWFXYJFS-UHFFFAOYSA-N -1 3 360.435 3.026 20 0 FGADHM O=C(Nc1cc([C@@H]2CCCOC2)[nH]n1)c1c[n-]nc1-c1ccc(Cl)cc1 ZINC000527185120 503710274 /nfs/dbraw/zinc/71/02/74/503710274.db2.gz WODIEANZVXHBKK-GFCCVEGCSA-N -1 3 371.828 3.021 20 0 FGADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N1CCC[C@@H](Cc2ccccc2)C1 ZINC000517317820 503713303 /nfs/dbraw/zinc/71/33/03/503713303.db2.gz OLCQIRYDZJHIOU-HNNXBMFYSA-N -1 3 363.417 3.057 20 0 FGADHM CC(C)CCSCc1nc(-c2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)no1 ZINC000546362685 503725043 /nfs/dbraw/zinc/72/50/43/503725043.db2.gz OCQPHKFOYRTWFT-SFHVURJKSA-N -1 3 374.466 3.071 20 0 FGADHM Cc1ccccc1[C@@H](CO)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000533095358 503729159 /nfs/dbraw/zinc/72/91/59/503729159.db2.gz GFSAZKVZKOLZAK-CQSZACIVSA-N -1 3 360.262 3.314 20 0 FGADHM O=S(=O)([N-]CCNC/C=C\c1ccc(F)cc1)c1ccc(Cl)s1 ZINC000533103580 503732815 /nfs/dbraw/zinc/73/28/15/503732815.db2.gz KAJKVYKWPNAOFW-UPHRSURJSA-N -1 3 374.890 3.122 20 0 FGADHM Cc1ccc(-c2cc(C(=O)Nc3cccc(N4CCOCC4)c3)n[n-]2)o1 ZINC000517439748 503746681 /nfs/dbraw/zinc/74/66/81/503746681.db2.gz SRYTZGTVWLQTSW-UHFFFAOYSA-N -1 3 352.394 3.067 20 0 FGADHM Cc1ccc(-c2cc(C(=O)Nc3cccc(N4CCOCC4)c3)[n-]n2)o1 ZINC000517439748 503746684 /nfs/dbraw/zinc/74/66/84/503746684.db2.gz SRYTZGTVWLQTSW-UHFFFAOYSA-N -1 3 352.394 3.067 20 0 FGADHM Cc1ccc(N2CCCN(Cc3cc([O-])cc(C(F)(F)F)c3)CC2)nn1 ZINC000517446160 503747697 /nfs/dbraw/zinc/74/76/97/503747697.db2.gz DFYKXRZWMGHHQI-UHFFFAOYSA-N -1 3 366.387 3.222 20 0 FGADHM Cc1ccc([O-])c(NC(=O)c2ccc(CNC(=O)c3cccs3)cc2)n1 ZINC000543392273 503750488 /nfs/dbraw/zinc/75/04/88/503750488.db2.gz LFNWAQAPWKVRCM-UHFFFAOYSA-N -1 3 367.430 3.339 20 0 FGADHM COc1c(Br)c(C)sc1C(=O)Nc1nc(C)ccc1[O-] ZINC000543392752 503752101 /nfs/dbraw/zinc/75/21/01/503752101.db2.gz XTTDAUGHDCMVLK-UHFFFAOYSA-N -1 3 357.229 3.489 20 0 FGADHM CN(CC[C@H]1CCCO1)C(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000527297288 503756756 /nfs/dbraw/zinc/75/67/56/503756756.db2.gz DADLIDRUSFVJGG-LJQANCHMSA-N -1 3 353.418 3.264 20 0 FGADHM O=C([O-])C1(NCc2csc(COc3ccc(F)cc3)n2)CCCC1 ZINC000533202871 503759226 /nfs/dbraw/zinc/75/92/26/503759226.db2.gz ROZABPRYGJQAFS-UHFFFAOYSA-N -1 3 350.415 3.348 20 0 FGADHM Cc1ccc2[n-]cc(C(=O)Nc3cc(C(F)(F)F)c[nH]c3=O)c(=O)c2c1 ZINC000543432914 503767515 /nfs/dbraw/zinc/76/75/15/503767515.db2.gz QJFASXOTCFLDJD-UHFFFAOYSA-N -1 3 363.295 3.208 20 0 FGADHM O=C(COc1cccc(N2CCCC2=O)c1)Nc1cc(Cl)ccc1[O-] ZINC000517560110 503771248 /nfs/dbraw/zinc/77/12/48/503771248.db2.gz RUNVJMIPEJZXRZ-UHFFFAOYSA-N -1 3 360.797 3.190 20 0 FGADHM O=C(N[C@@H]1CCCc2cn(C3CCCC3)nc21)c1cccc2nn[n-]c21 ZINC000527364680 503778172 /nfs/dbraw/zinc/77/81/72/503778172.db2.gz WHCWZYXSAFMSBG-OAHLLOKOSA-N -1 3 350.426 3.077 20 0 FGADHM O=C(N[C@@H]1CCCc2cn(C3CCCC3)nc21)c1cccc2[n-]nnc21 ZINC000527364680 503778177 /nfs/dbraw/zinc/77/81/77/503778177.db2.gz WHCWZYXSAFMSBG-OAHLLOKOSA-N -1 3 350.426 3.077 20 0 FGADHM O=C(N[C@@H]1CCCc2cn(C3CCCC3)nc21)c1cccc2n[n-]nc21 ZINC000527364680 503778181 /nfs/dbraw/zinc/77/81/81/503778181.db2.gz WHCWZYXSAFMSBG-OAHLLOKOSA-N -1 3 350.426 3.077 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1ccon1 ZINC000540471473 503780905 /nfs/dbraw/zinc/78/09/05/503780905.db2.gz JLDCGOGGBOPZDQ-ZETCQYMHSA-N -1 3 354.737 3.386 20 0 FGADHM O=C(CCN1CCN(c2ccccc2)CC1)Nc1c([O-])cccc1Cl ZINC000517628936 503790096 /nfs/dbraw/zinc/79/00/96/503790096.db2.gz NPZQHYAFZDUWRM-UHFFFAOYSA-N -1 3 359.857 3.196 20 0 FGADHM Cc1csc(N2CCN(Cc3cc([O-])cc(C(F)(F)F)c3)CC2)n1 ZINC000517635068 503791611 /nfs/dbraw/zinc/79/16/11/503791611.db2.gz UVCJLBDZKJECCX-UHFFFAOYSA-N -1 3 357.401 3.498 20 0 FGADHM Cc1cc(C)c(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)c(OC2CCC2)n1 ZINC000527453828 503793163 /nfs/dbraw/zinc/79/31/63/503793163.db2.gz BLIKFXUZTRYYOP-UHFFFAOYSA-N -1 3 364.409 3.062 20 0 FGADHM Cc1cc(C)c(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)c(OC2CCC2)n1 ZINC000527453828 503793170 /nfs/dbraw/zinc/79/31/70/503793170.db2.gz BLIKFXUZTRYYOP-UHFFFAOYSA-N -1 3 364.409 3.062 20 0 FGADHM C[C@@H](CN(C)C(=O)c1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1)C1CCCCC1 ZINC000530038045 503809548 /nfs/dbraw/zinc/80/95/48/503809548.db2.gz JLRWXMVICWKPPN-QKKBWIMNSA-N -1 3 371.481 3.030 20 0 FGADHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)C1(c2cccc(C(F)(F)F)c2)CC1 ZINC000527499381 503812807 /nfs/dbraw/zinc/81/28/07/503812807.db2.gz AIQWKFAHYYRTRQ-CQSZACIVSA-N -1 3 365.355 3.372 20 0 FGADHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000527499067 503813559 /nfs/dbraw/zinc/81/35/59/503813559.db2.gz HLDJGORRMMDFGW-XUJVJEKNSA-N -1 3 365.355 3.444 20 0 FGADHM C[C@@H](CCC(C)(C)C)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1[O-] ZINC000543577114 503817064 /nfs/dbraw/zinc/81/70/64/503817064.db2.gz INOHVVIICXLQLD-ZDUSSCGKSA-N -1 3 368.499 3.333 20 0 FGADHM COC(=O)c1ccccc1CC(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000537180275 503829787 /nfs/dbraw/zinc/82/97/87/503829787.db2.gz KWIYHCRXRDUBKK-UHFFFAOYSA-N -1 3 353.296 3.379 20 0 FGADHM C[C@H](CCO)C1(C[N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)CCC1 ZINC000537182628 503830909 /nfs/dbraw/zinc/83/09/09/503830909.db2.gz UULFVFHQMRGKCB-LLVKDONJSA-N -1 3 366.310 3.461 20 0 FGADHM O=C(NCC1(c2cccc(F)c2F)CCCC1)c1cccc2nn[n-]c21 ZINC000517813779 503845036 /nfs/dbraw/zinc/84/50/36/503845036.db2.gz FUTJMRSHXZQWPG-UHFFFAOYSA-N -1 3 356.376 3.478 20 0 FGADHM O=C(NCC1(c2cccc(F)c2F)CCCC1)c1cccc2[n-]nnc21 ZINC000517813779 503845042 /nfs/dbraw/zinc/84/50/42/503845042.db2.gz FUTJMRSHXZQWPG-UHFFFAOYSA-N -1 3 356.376 3.478 20 0 FGADHM O=C(NCC1(c2cccc(F)c2F)CCCC1)c1cccc2n[n-]nc21 ZINC000517813779 503845046 /nfs/dbraw/zinc/84/50/46/503845046.db2.gz FUTJMRSHXZQWPG-UHFFFAOYSA-N -1 3 356.376 3.478 20 0 FGADHM CCn1cc(C(=O)Nc2nc(C)ccc2[O-])c(=O)c2cc(Cl)ccc21 ZINC000543668792 503846803 /nfs/dbraw/zinc/84/68/03/503846803.db2.gz DPVXNDMPHAVYHK-UHFFFAOYSA-N -1 3 357.797 3.336 20 0 FGADHM CO[C@@H](CS(=O)(=O)[N-]c1ccc(OC(C)C)nc1)c1ccc(F)cc1 ZINC000530135137 503850174 /nfs/dbraw/zinc/85/01/74/503850174.db2.gz XJFNRYFRTRRMBG-INIZCTEOSA-N -1 3 368.430 3.137 20 0 FGADHM O=C(NC[C@H](c1c(F)cccc1Cl)N1CCCC1)c1csc(=O)[n-]1 ZINC000546723084 503852992 /nfs/dbraw/zinc/85/29/92/503852992.db2.gz AHDWTTCZMLYCOA-CYBMUJFWSA-N -1 3 369.849 3.208 20 0 FGADHM Cc1nc(C(C)(C)[N-]S(=O)(=O)c2ccccc2-c2ccccc2)no1 ZINC000517870182 503854011 /nfs/dbraw/zinc/85/40/11/503854011.db2.gz VOWLIOBNWDEBHW-UHFFFAOYSA-N -1 3 357.435 3.259 20 0 FGADHM COCCC1CCN([C@@H](C(=O)[O-])c2cccc(Br)c2)CC1 ZINC000530164902 503859650 /nfs/dbraw/zinc/85/96/50/503859650.db2.gz SIUBOMJKEUDZHE-OAHLLOKOSA-N -1 3 356.260 3.323 20 0 FGADHM O=C(CNC(=O)c1ccc([O-])cc1)NCC1(Cc2ccccc2)CCCC1 ZINC000543705715 503860520 /nfs/dbraw/zinc/86/05/20/503860520.db2.gz ATGBUJZGQFIYBQ-UHFFFAOYSA-N -1 3 366.461 3.041 20 0 FGADHM O=C([O-])[C@H]1c2ccoc2CCN1CCCc1nc(-c2cccs2)no1 ZINC000530169175 503860575 /nfs/dbraw/zinc/86/05/75/503860575.db2.gz OCHOBBIEKCASFJ-OAHLLOKOSA-N -1 3 359.407 3.008 20 0 FGADHM Cc1cc(C)n(-c2ccc(CN3CCc4occc4[C@@H]3C(=O)[O-])cc2)n1 ZINC000530167762 503861390 /nfs/dbraw/zinc/86/13/90/503861390.db2.gz ZKKLYDZZUWSCFC-LJQANCHMSA-N -1 3 351.406 3.266 20 0 FGADHM CCCc1nnc([N-]C(=O)c2cn(-c3cccc(Cl)c3F)nn2)s1 ZINC000537346281 503884154 /nfs/dbraw/zinc/88/41/54/503884154.db2.gz CXQFAPJWEORWFE-UHFFFAOYSA-N -1 3 366.809 3.116 20 0 FGADHM CO[C@@H](c1ccc(F)cc1)[C@H](C)[N-]S(=O)(=O)c1cccc(C)c1F ZINC000543772100 503886919 /nfs/dbraw/zinc/88/69/19/503886919.db2.gz MRHIFNMMASOOSY-YVEFUNNKSA-N -1 3 355.406 3.328 20 0 FGADHM Cc1cc(C(=O)Nc2n[n-]c(-c3ccccc3F)n2)c(C)n1[C@@H]1CCOC1 ZINC000530263048 503901269 /nfs/dbraw/zinc/90/12/69/503901269.db2.gz IKIRLBQDHOCHHM-CYBMUJFWSA-N -1 3 369.400 3.243 20 0 FGADHM Cc1cc(C(=O)N=c2[nH][n-]c(C)c2-c2ccc(F)cc2)nn1C(C)(C)C ZINC000530272786 503903208 /nfs/dbraw/zinc/90/32/08/503903208.db2.gz GMZSADBITOUVHH-UHFFFAOYSA-N -1 3 355.417 3.458 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)c2cnn(CC(C)C)c2C)c1-c1ccccc1F ZINC000530276831 503904343 /nfs/dbraw/zinc/90/43/43/503904343.db2.gz VSFJPGMQTKZYNO-UHFFFAOYSA-N -1 3 355.417 3.359 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@H]2CCCc3cccnc32)c1-c1ccccc1F ZINC000530276784 503904545 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C[C@@H]1Oc2ccccc2[C@H]1[N-]S(=O)(=O)c1ccccc1OC(F)(F)F ZINC000564246075 505361504 /nfs/dbraw/zinc/36/15/04/505361504.db2.gz DQZPWVIACUVSDT-BONVTDFDSA-N -1 3 373.352 3.386 20 0 FGADHM CCC[C@](C)(CC)c1nc(-c2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)no1 ZINC000558336368 505363052 /nfs/dbraw/zinc/36/30/52/505363052.db2.gz XXWLMVCWXXPMBI-OALUTQOASA-N -1 3 356.426 3.259 20 0 FGADHM CCc1c([N-]C(=O)c2nc(-c3cnn(C)c3)oc2C)onc1C(F)(F)F ZINC000561532230 505369373 /nfs/dbraw/zinc/36/93/73/505369373.db2.gz WDSADOWBRUYFRU-UHFFFAOYSA-N -1 3 369.303 3.205 20 0 FGADHM COc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2c3ccc(F)cc3O[C@H]2C)c1 ZINC000561556876 505376846 /nfs/dbraw/zinc/37/68/46/505376846.db2.gz XYEBOQVZDFLERF-XXFAHNHDSA-N -1 3 371.817 3.288 20 0 FGADHM C[C@H]1Oc2cc(F)ccc2[C@@H]1[N-]S(=O)(=O)c1ccccc1-c1ccno1 ZINC000561558266 505377289 /nfs/dbraw/zinc/37/72/89/505377289.db2.gz MDRVBRJGIHWEQM-ADLMAVQZSA-N -1 3 374.393 3.281 20 0 FGADHM COCC1(NC(=O)c2cc(CCc3ccccc3)ccc2[O-])CCOCC1 ZINC000558430007 505387348 /nfs/dbraw/zinc/38/73/48/505387348.db2.gz QUSOQPYWBSJLLG-UHFFFAOYSA-N -1 3 369.461 3.103 20 0 FGADHM C[C@@H]1Oc2ccccc2[C@H]1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000564371016 505398121 /nfs/dbraw/zinc/39/81/21/505398121.db2.gz PPQUUJUYAFLLCT-SDBXPKJASA-N -1 3 374.281 3.311 20 0 FGADHM CCOC(=O)c1ccc(NC(=O)COc2ccsc2Cl)c([O-])c1 ZINC000552140119 505412958 /nfs/dbraw/zinc/41/29/58/505412958.db2.gz PYSKAGUKPNFNQC-UHFFFAOYSA-N -1 3 355.799 3.301 20 0 FGADHM CCOC(=O)c1nc(C2CCN(Cc3cccc(F)c3Cl)CC2)n[n-]1 ZINC000555462511 505436544 /nfs/dbraw/zinc/43/65/44/505436544.db2.gz LUOMLYOKQITBLX-UHFFFAOYSA-N -1 3 366.824 3.154 20 0 FGADHM CCOC(=O)c1nnc(C2CCN(Cc3cccc(F)c3Cl)CC2)[n-]1 ZINC000555462511 505436547 /nfs/dbraw/zinc/43/65/47/505436547.db2.gz LUOMLYOKQITBLX-UHFFFAOYSA-N -1 3 366.824 3.154 20 0 FGADHM CCOc1cn(-c2ccccc2)nc1-c1nc(-c2ccc3n[n-]nc3c2)no1 ZINC000555473609 505439019 /nfs/dbraw/zinc/43/90/19/505439019.db2.gz VWNTWIQSXLGGLU-UHFFFAOYSA-N -1 3 373.376 3.259 20 0 FGADHM Cc1cccc(F)c1S(=O)(=O)[N-]Cc1ccc(OC(F)F)c(F)c1 ZINC000564548503 505449910 /nfs/dbraw/zinc/44/99/10/505449910.db2.gz HHUGKRVDQUMODM-UHFFFAOYSA-N -1 3 363.332 3.353 20 0 FGADHM C[C@H](c1ccccc1F)N1CCC[C@@H](NC(=O)c2cccc([O-])c2)C1=O ZINC000564600454 505465701 /nfs/dbraw/zinc/46/57/01/505465701.db2.gz OQIPXSCLVIKIQW-FZKQIMNGSA-N -1 3 356.397 3.013 20 0 FGADHM CSc1nnc(NC(=O)c2cc(Cl)cc(F)c2Br)[n-]1 ZINC000555844257 505525069 /nfs/dbraw/zinc/52/50/69/505525069.db2.gz YYCZDOMEIUMDIO-UHFFFAOYSA-N -1 3 365.615 3.334 20 0 FGADHM FC(F)OCc1nc(-c2nnc(-c3cccc(Br)c3)[n-]2)no1 ZINC000561927401 505471005 /nfs/dbraw/zinc/47/10/05/505471005.db2.gz XBUVCMGTTWDCBH-UHFFFAOYSA-N -1 3 372.129 3.023 20 0 FGADHM FC(F)OCc1nc(-c2nc(-c3cccc(Br)c3)n[n-]2)no1 ZINC000561927401 505471009 /nfs/dbraw/zinc/47/10/09/505471009.db2.gz XBUVCMGTTWDCBH-UHFFFAOYSA-N -1 3 372.129 3.023 20 0 FGADHM FC(F)OCc1nc(-c2n[n-]c(-c3cccc(Br)c3)n2)no1 ZINC000561927401 505471012 /nfs/dbraw/zinc/47/10/12/505471012.db2.gz XBUVCMGTTWDCBH-UHFFFAOYSA-N -1 3 372.129 3.023 20 0 FGADHM CSc1n[n-]c(NC(=O)c2cc(Cl)cc(F)c2Br)n1 ZINC000555844257 505525072 /nfs/dbraw/zinc/52/50/72/505525072.db2.gz YYCZDOMEIUMDIO-UHFFFAOYSA-N -1 3 365.615 3.334 20 0 FGADHM C[C@H](O)C[C@H]1CCCCCN1C(=O)Cc1ccc(Br)cc1[O-] ZINC000552367320 505474161 /nfs/dbraw/zinc/47/41/61/505474161.db2.gz MJKJWRZHGHSLRD-SWLSCSKDSA-N -1 3 370.287 3.239 20 0 FGADHM CC1(C)SC[C@H]1[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000558780124 505490569 /nfs/dbraw/zinc/49/05/69/505490569.db2.gz XWWXBLWHQUDVDP-SECBINFHSA-N -1 3 370.721 3.275 20 0 FGADHM CCCCN(C)S(=O)(=O)c1cccc(NCc2nc(C)ccc2[O-])c1 ZINC000562083302 505512965 /nfs/dbraw/zinc/51/29/65/505512965.db2.gz MCRSFNIKTGPFKU-UHFFFAOYSA-N -1 3 363.483 3.128 20 0 FGADHM Cc1cc(=O)[n-]c([C@H](C)N2CCOc3ccc(Br)cc3C2)n1 ZINC000558895869 505524077 /nfs/dbraw/zinc/52/40/77/505524077.db2.gz PNORRVSAWCGIJA-NSHDSACASA-N -1 3 364.243 3.209 20 0 FGADHM CCCN(CCN1CCCC1)C(=O)N=c1[n-]nc(-c2ccsc2)s1 ZINC000562152773 505528374 /nfs/dbraw/zinc/52/83/74/505528374.db2.gz GLUDQBAHXUNWGG-UHFFFAOYSA-N -1 3 365.528 3.028 20 0 FGADHM Cc1nc(S(=O)(=O)Cc2nnc(C3CC3)s2)[n-]c1-c1ccccc1 ZINC000567687674 505536497 /nfs/dbraw/zinc/53/64/97/505536497.db2.gz TZJFSYSBIPCGOA-UHFFFAOYSA-N -1 3 360.464 3.088 20 0 FGADHM Cc1[n-]c(S(=O)(=O)Cc2nnc(C3CC3)s2)nc1-c1ccccc1 ZINC000567687674 505536502 /nfs/dbraw/zinc/53/65/02/505536502.db2.gz TZJFSYSBIPCGOA-UHFFFAOYSA-N -1 3 360.464 3.088 20 0 FGADHM c1sc(-c2cccnc2)nc1Cc1nc(-c2ccc3n[n-]nc3c2)no1 ZINC000564862397 505542710 /nfs/dbraw/zinc/54/27/10/505542710.db2.gz OHTOLZBDXIBJNZ-UHFFFAOYSA-N -1 3 361.390 3.117 20 0 FGADHM CCCn1ccc2ccc([N-]S(=O)(=O)CCOCC(F)(F)F)cc21 ZINC000562229983 505545716 /nfs/dbraw/zinc/54/57/16/505545716.db2.gz KWUBHDJWPVZCBP-UHFFFAOYSA-N -1 3 364.389 3.372 20 0 FGADHM CCN(CC)[C@H](CNC(=O)Cc1cncc([O-])c1)c1ccccc1Cl ZINC000552831989 505561143 /nfs/dbraw/zinc/56/11/43/505561143.db2.gz KOOZRBAIDUOYAB-GOSISDBHSA-N -1 3 361.873 3.182 20 0 FGADHM CC1(C)[C@H]([N-]S(=O)(=O)c2ccccc2C(F)(F)F)[C@@H]2CCCO[C@H]21 ZINC000608032762 506384498 /nfs/dbraw/zinc/38/44/98/506384498.db2.gz GQKPFSHRIMMRJI-ZLKJLUDKSA-N -1 3 363.401 3.187 20 0 FGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccsc1 ZINC000599458906 506464786 /nfs/dbraw/zinc/46/47/86/506464786.db2.gz BGPPEQNNFLGHJQ-QWHCGFSZSA-N -1 3 371.867 3.023 20 0 FGADHM Cc1nc(S(=O)(=O)[N-][C@@H](C)C(c2ccccc2)c2ccccc2)cn1C ZINC000589166898 506467295 /nfs/dbraw/zinc/46/72/95/506467295.db2.gz HZUJPUZBCIXGPY-HNNXBMFYSA-N -1 3 369.490 3.227 20 0 FGADHM CCN=c1[n-]c(C(=O)Nc2cccc(-c3noc(C4CC4)n3)c2)cs1 ZINC000612214325 506486051 /nfs/dbraw/zinc/48/60/51/506486051.db2.gz IAWRRRYKVBFNDV-UHFFFAOYSA-N -1 3 355.423 3.177 20 0 FGADHM COC(=O)c1c(C)nc(=O)[n-]c1SCc1cccc(OC(F)(F)F)c1 ZINC000593236066 506486019 /nfs/dbraw/zinc/48/60/19/506486019.db2.gz WHGFYGKUKNNDGW-UHFFFAOYSA-N -1 3 374.340 3.468 20 0 FGADHM CSc1ccc([O-])c(C(=O)N[C@@H]2CCN(c3ncccc3Cl)C2)c1 ZINC000612301986 506517004 /nfs/dbraw/zinc/51/70/04/506517004.db2.gz YGRKLSCJUMSJKI-LLVKDONJSA-N -1 3 363.870 3.171 20 0 FGADHM Cc1ncsc1-c1nc2ccccc2n1CC(=O)Nc1ncccc1[O-] ZINC000608348713 506519111 /nfs/dbraw/zinc/51/91/11/506519111.db2.gz VVHGPGCGFNSDHR-UHFFFAOYSA-N -1 3 365.418 3.208 20 0 FGADHM COC(=O)c1cc(C)sc1[N-]C(=O)c1cc(COC(C)(C)C)on1 ZINC000593326627 506543286 /nfs/dbraw/zinc/54/32/86/506543286.db2.gz FGKCMFIDHNQNMI-UHFFFAOYSA-N -1 3 352.412 3.399 20 0 FGADHM Cc1ccc2[n-]cc(C(=O)N(C)C[C@H]3OCCc4ccccc43)c(=O)c2c1 ZINC000583041391 506555664 /nfs/dbraw/zinc/55/56/64/506555664.db2.gz FBXJSDFRRJVACB-HXUWFJFHSA-N -1 3 362.429 3.223 20 0 FGADHM COc1cc(CN2CC[C@H](C)[C@H](C(=O)[O-])C2)ccc1OCC(F)(F)F ZINC000583084453 506581483 /nfs/dbraw/zinc/58/14/83/506581483.db2.gz ACTVVAPADNKFRY-WCQYABFASA-N -1 3 361.360 3.179 20 0 FGADHM Cc1ccc2cccc(NC(=O)c3ccc([N-]S(C)(=O)=O)cc3)c2n1 ZINC000589546953 506583843 /nfs/dbraw/zinc/58/38/43/506583843.db2.gz XEYVHQPIWGHRAF-UHFFFAOYSA-N -1 3 355.419 3.167 20 0 FGADHM CCc1nc2c(s1)[C@@H](N(C)C(=O)c1ccc3[nH][n-]c(=O)c3c1)CCC2 ZINC000612473609 506591600 /nfs/dbraw/zinc/59/16/00/506591600.db2.gz WEDCRKSGBABRDL-AWEZNQCLSA-N -1 3 356.451 3.437 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)NCCOc2cccc(C(C)(C)C)c2)c1 ZINC000603736787 506606414 /nfs/dbraw/zinc/60/64/14/506606414.db2.gz FAOIBRRTQFFGFI-UHFFFAOYSA-N -1 3 370.449 3.457 20 0 FGADHM CCCCN(C(=O)CNC(=O)c1ccc([O-])cc1)[C@@H](C)c1ccc(C)o1 ZINC000589692967 506632448 /nfs/dbraw/zinc/63/24/48/506632448.db2.gz NOFDZHAGJPMDMO-HNNXBMFYSA-N -1 3 358.438 3.413 20 0 FGADHM CC(C)=CCC[C@H](C)CC(=O)Nc1cccc([C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000583205370 506648901 /nfs/dbraw/zinc/64/89/01/506648901.db2.gz POFIPGOBTICBTQ-XOBRGWDASA-N -1 3 357.454 3.452 20 0 FGADHM CC(C)=CCC[C@@H](C)CC(=O)Nc1cccc([C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000583205369 506649281 /nfs/dbraw/zinc/64/92/81/506649281.db2.gz POFIPGOBTICBTQ-VLIAUNLRSA-N -1 3 357.454 3.452 20 0 FGADHM Cc1csc([C@H](C)C(=O)NCc2ccc([O-])c(Br)c2)n1 ZINC000612644286 506666538 /nfs/dbraw/zinc/66/65/38/506666538.db2.gz ZUESOYKBISXGJW-SECBINFHSA-N -1 3 355.257 3.340 20 0 FGADHM COC(=O)c1cc(C(=O)[N-]c2cccc(Cl)c2OCC(F)F)on1 ZINC000589937811 506682770 /nfs/dbraw/zinc/68/27/70/506682770.db2.gz WSEZUJAPXVOJOU-UHFFFAOYSA-N -1 3 360.700 3.011 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1ccnc(OCc2ccccc2)c1 ZINC000590001190 506702933 /nfs/dbraw/zinc/70/29/33/506702933.db2.gz QOFFZDPLETUTFN-UHFFFAOYSA-N -1 3 372.388 3.093 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1ccnc(OCc2ccccc2)c1 ZINC000590001190 506702939 /nfs/dbraw/zinc/70/29/39/506702939.db2.gz QOFFZDPLETUTFN-UHFFFAOYSA-N -1 3 372.388 3.093 20 0 FGADHM Cc1ccc2c(CSc3nnnn3CC(F)(F)F)ccc([O-])c2n1 ZINC000583299176 506703842 /nfs/dbraw/zinc/70/38/42/506703842.db2.gz FMLNAULKQIAHMF-UHFFFAOYSA-N -1 3 355.345 3.090 20 0 FGADHM COCc1cc(Cl)cc(S(=O)(=O)[N-]CC(C)(C)C(F)(F)F)c1 ZINC000583410538 506763315 /nfs/dbraw/zinc/76/33/15/506763315.db2.gz RZVSOEWNYYGGQK-UHFFFAOYSA-N -1 3 359.797 3.353 20 0 FGADHM CCOC(=O)C[C@H](NCc1cccc([O-])c1Br)C(F)(F)F ZINC000597192299 506827074 /nfs/dbraw/zinc/82/70/74/506827074.db2.gz KWVQVYOKHKHLHK-JTQLQIEISA-N -1 3 370.165 3.128 20 0 FGADHM C/C=C\C[C@@H]1CCCN(C(=O)C(=O)[N-]c2sccc2C(=O)OCC)C1 ZINC000600102508 506777175 /nfs/dbraw/zinc/77/71/75/506777175.db2.gz MRKVFXALCFUGHY-HSBHDXMMSA-N -1 3 364.467 3.068 20 0 FGADHM Cc1ccnc(-c2ccc([N-]S(=O)(=O)CCc3ccccc3)cc2)n1 ZINC000604305492 506780142 /nfs/dbraw/zinc/78/01/42/506780142.db2.gz YNLVCXLMGFIBOS-UHFFFAOYSA-N -1 3 353.447 3.436 20 0 FGADHM C[C@H](Oc1ccccc1)C(=O)Nc1nnc(-c2ccc3ccccc3n2)[n-]1 ZINC000590407387 506812072 /nfs/dbraw/zinc/81/20/72/506812072.db2.gz MODJIIOMAKKUOD-ZDUSSCGKSA-N -1 3 359.389 3.426 20 0 FGADHM C[C@H](Oc1ccccc1)C(=O)Nc1nc(-c2ccc3ccccc3n2)n[n-]1 ZINC000590407387 506812080 /nfs/dbraw/zinc/81/20/80/506812080.db2.gz MODJIIOMAKKUOD-ZDUSSCGKSA-N -1 3 359.389 3.426 20 0 FGADHM C[C@H](Oc1ccccc1)C(=O)Nc1n[n-]c(-c2ccc3ccccc3n2)n1 ZINC000590407387 506812086 /nfs/dbraw/zinc/81/20/86/506812086.db2.gz MODJIIOMAKKUOD-ZDUSSCGKSA-N -1 3 359.389 3.426 20 0 FGADHM O=C(CCc1ccccc1O)Nc1nnc(-c2ccc3ccccc3n2)[n-]1 ZINC000590406088 506812180 /nfs/dbraw/zinc/81/21/80/506812180.db2.gz HRQNERAQBYKVOV-UHFFFAOYSA-N -1 3 359.389 3.297 20 0 FGADHM O=C(CCc1ccccc1O)Nc1nc(-c2ccc3ccccc3n2)n[n-]1 ZINC000590406088 506812191 /nfs/dbraw/zinc/81/21/91/506812191.db2.gz HRQNERAQBYKVOV-UHFFFAOYSA-N -1 3 359.389 3.297 20 0 FGADHM COC(=O)C1(CNC(=O)c2cc([O-])cc(C(F)(F)F)c2)CCCCC1 ZINC000590448368 506826690 /nfs/dbraw/zinc/82/66/90/506826690.db2.gz UUHJOSABVDUUDE-UHFFFAOYSA-N -1 3 359.344 3.264 20 0 FGADHM O=C(N[C@H]1[C@@H]2CCC[C@@H]21)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000583541761 506836679 /nfs/dbraw/zinc/83/66/79/506836679.db2.gz URKWXDXQAAHJLW-HWWDLCQESA-N -1 3 374.437 3.155 20 0 FGADHM C(=Cc1nc(-c2ccc3n[n-]nc3c2)no1)c1cnn(-c2ccccc2)c1 ZINC000583557781 506847046 /nfs/dbraw/zinc/84/70/46/506847046.db2.gz LAEDHGPXKSHGOZ-TWGQIWQCSA-N -1 3 355.361 3.364 20 0 FGADHM CC[C@H](NC(=O)c1c[n-]c2ccncc2c1=O)c1ccccc1OC(F)F ZINC000583581363 506860991 /nfs/dbraw/zinc/86/09/91/506860991.db2.gz KLSWAWFMYXILOY-AWEZNQCLSA-N -1 3 373.359 3.406 20 0 FGADHM CCON1CCC(CC(=O)Nc2cc(Br)ccc2[O-])CC1 ZINC000613025390 506870404 /nfs/dbraw/zinc/87/04/04/506870404.db2.gz AVLBHUYFHWHXDK-UHFFFAOYSA-N -1 3 357.248 3.147 20 0 FGADHM O=C(Nc1cc(C(F)(F)F)ccc1[O-])[C@H]1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000613031117 506874596 /nfs/dbraw/zinc/87/45/96/506874596.db2.gz UXBBCBFJKJYECL-GRYCIOLGSA-N -1 3 356.344 3.044 20 0 FGADHM C[C@H]1CCC[C@@H](CCNC(=O)N2CCN(C(=O)c3cccc([O-])c3)CC2)C1 ZINC000604598852 506887122 /nfs/dbraw/zinc/88/71/22/506887122.db2.gz NWWFURRMZXIZKC-IRXDYDNUSA-N -1 3 373.497 3.076 20 0 FGADHM CCOC(=O)[C@@H](NCc1nc2ccsc2c(=O)[n-]1)C1CCCCCC1 ZINC000594048196 506906210 /nfs/dbraw/zinc/90/62/10/506906210.db2.gz RLFIBKFPUXZFRZ-HNNXBMFYSA-N -1 3 363.483 3.389 20 0 FGADHM CCOC(=O)CCN(Cc1nc2c3ccccc3oc2c(=O)[n-]1)C(C)C ZINC000594053647 506909372 /nfs/dbraw/zinc/90/93/72/506909372.db2.gz MTBWBMILIUJTAR-UHFFFAOYSA-N -1 3 357.410 3.245 20 0 FGADHM CCCc1ncc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)o1 ZINC000583793953 506976487 /nfs/dbraw/zinc/97/64/87/506976487.db2.gz SAOQHRBMKWHCKT-UHFFFAOYSA-N -1 3 354.375 3.186 20 0 FGADHM COc1cccc2c1OCC[C@H]2[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000590793875 506961969 /nfs/dbraw/zinc/96/19/69/506961969.db2.gz QUYHSCFBJRGXTH-CYBMUJFWSA-N -1 3 371.817 3.290 20 0 FGADHM COC(=O)[C@@H]1CCN(C(=O)c2ccc3c(c2[O-])CCCC3)[C@H]2CCC[C@@H]21 ZINC000600552589 506995540 /nfs/dbraw/zinc/99/55/40/506995540.db2.gz RJFHSCZBHCTFEP-NUJGCVRESA-N -1 3 357.450 3.075 20 0 FGADHM COC(=O)[C@@H]1CCN(C(=O)CCCc2ccc([O-])c(F)c2)[C@H]2CCC[C@H]21 ZINC000600553935 506997071 /nfs/dbraw/zinc/99/70/71/506997071.db2.gz UKSRCZFGCBAMGX-UXLLHSPISA-N -1 3 363.429 3.044 20 0 FGADHM COC(=O)[C@@H]1CCN(C(=O)c2cc3c(cc2[O-])CCCC3)[C@@H]2CCC[C@@H]21 ZINC000600560849 507001928 /nfs/dbraw/zinc/00/19/28/507001928.db2.gz UUXQDCJSMRRSGT-JFIYKMOQSA-N -1 3 357.450 3.075 20 0 FGADHM CCN(Cc1ccc(OC)cc1)[C@H](C(=O)[O-])c1cc(OC)cc(OC)c1 ZINC000583877497 507025163 /nfs/dbraw/zinc/02/51/63/507025163.db2.gz MONCYYQSKGSFSJ-IBGZPJMESA-N -1 3 359.422 3.360 20 0 FGADHM CC1(C)Cc2ccc(C(=O)N3CCO[C@@H](c4ccccc4F)C3)c([O-])c2O1 ZINC000590962185 507062934 /nfs/dbraw/zinc/06/29/34/507062934.db2.gz PLAUVNSDNYOSJY-QGZVFWFLSA-N -1 3 371.408 3.459 20 0 FGADHM CC(C)(C)CCOc1cnccc1CNC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000583944443 507064361 /nfs/dbraw/zinc/06/43/61/507064361.db2.gz MVNCVEMSLKHGNW-UHFFFAOYSA-N -1 3 370.453 3.200 20 0 FGADHM COC(=O)[C@H]1CN(C(=O)CCCc2ccc([O-])c(F)c2)Cc2ccccc21 ZINC000600753486 507100997 /nfs/dbraw/zinc/10/09/97/507100997.db2.gz BALDOTSPPUVZRK-KRWDZBQOSA-N -1 3 371.408 3.153 20 0 FGADHM CC(C)(C)OC(=O)c1cncc(NC(=O)c2cc(C(F)(F)F)n[n-]2)c1 ZINC000594384771 507105064 /nfs/dbraw/zinc/10/50/64/507105064.db2.gz HCFBKMOGOGFFMK-UHFFFAOYSA-N -1 3 356.304 3.031 20 0 FGADHM CC(C)(C)OC(=O)c1cncc(NC(=O)c2cc(C(F)(F)F)[n-]n2)c1 ZINC000594384771 507105069 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ZINC000483222969 515991720 /nfs/dbraw/zinc/99/17/20/515991720.db2.gz RGIXXUZOCLGKPP-UHFFFAOYSA-N -1 3 356.470 3.079 20 0 FGADHM C[C@H](C(=O)N=c1cc2ccc(Br)cn2[n-]1)N1[C@H](C)CC[C@H]1C ZINC000513741753 516736606 /nfs/dbraw/zinc/73/66/06/516736606.db2.gz CTMMIEFZXHXCHI-IJLUTSLNSA-N -1 3 365.275 3.297 20 0 FGADHM CCCc1ccc(-c2cc(=NC(=O)[C@H]3CC(=O)N[C@@H](CC)C3)[nH][n-]2)cc1 ZINC000541774819 517209498 /nfs/dbraw/zinc/20/94/98/517209498.db2.gz LSIHPQQFXUOWLG-CVEARBPZSA-N -1 3 354.454 3.273 20 0 FGADHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)[C@H]1CCCCN1Cc1ccc(F)cc1 ZINC000525966616 517261495 /nfs/dbraw/zinc/26/14/95/517261495.db2.gz KQWSYHMAONUXSY-QZTJIDSGSA-N -1 3 372.444 3.394 20 0 FGADHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1cnc(OCC2CC2)c(Cl)c1 ZINC000525967114 517262620 /nfs/dbraw/zinc/26/26/20/517262620.db2.gz QPYGMIUKQCBYPJ-AWEZNQCLSA-N -1 3 362.817 3.351 20 0 FGADHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)[C@@H]1CCCCN1Cc1ccccc1 ZINC000526959294 517411463 /nfs/dbraw/zinc/41/14/63/517411463.db2.gz DEXSOEWEMZMHJG-ZWKOTPCHSA-N -1 3 354.454 3.254 20 0 FGADHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000526960323 517412240 /nfs/dbraw/zinc/41/22/40/517412240.db2.gz WSSNCAQAPGPHLE-RULNRJAQSA-N -1 3 351.328 3.421 20 0 FGADHM CC[C@H](C)n1[nH]c(=NC(=O)c2cc(-c3c(C)nn(C)c3C)[n-]n2)cc1C ZINC000538313619 517558815 /nfs/dbraw/zinc/55/88/15/517558815.db2.gz PLWCGZLPTKCOJI-JTQLQIEISA-N -1 3 355.446 3.155 20 0 FGADHM CC[C@@H](c1n[n-]c(=NC(=O)NCC2=CCN(C)CC2)s1)c1ccccc1 ZINC000538357593 517584216 /nfs/dbraw/zinc/58/42/16/517584216.db2.gz AZFKSAGBOXFPMO-MRXNPFEDSA-N -1 3 371.510 3.463 20 0 FGADHM CCC[C@H](OCC)C(=O)N=c1[nH][n-]c(C)c1-c1ccc2c(c1)OCCO2 ZINC000530268222 517669450 /nfs/dbraw/zinc/66/94/50/517669450.db2.gz UDHMRTXMOFAWOP-HNNXBMFYSA-N -1 3 359.426 3.300 20 0 FGADHM CC(C)CCc1ccccc1NC(=O)C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000527480008 517699359 /nfs/dbraw/zinc/69/93/59/517699359.db2.gz ULRLPFMESQCTNR-KRWDZBQOSA-N -1 3 370.453 3.427 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@@H]2C[C@@H](C)O[C@@H](C)C2)c1-c1ccc2c(c1)OCCO2 ZINC000538822282 517792914 /nfs/dbraw/zinc/79/29/14/517792914.db2.gz NAIAZAYBZKOKHD-JJLQDPRZSA-N -1 3 371.437 3.298 20 0 FGADHM CCc1[n-][nH]c(=NC(=O)[C@H]2Cc3ccccc3CN2C(=O)[C@@H](C)CC)c1C ZINC000521898122 517890955 /nfs/dbraw/zinc/89/09/55/517890955.db2.gz RNLUDRVGGPYMPH-SCLBCKFNSA-N -1 3 368.481 3.219 20 0 FGADHM CCS[C@H]1CCC[C@@H](NC(=O)N=c2[n-]n(C)cc2Br)C1 ZINC000603042988 520043309 /nfs/dbraw/zinc/04/33/09/520043309.db2.gz JKZXNBADBUHXFN-ZJUUUORDSA-N -1 3 361.309 3.368 20 0 FGADHM COC(=O)[C@H]1CCC[C@@H](C(=O)N=c2[nH][n-]c(C)c2-c2cccc(F)c2)C1 ZINC000603199999 520152527 /nfs/dbraw/zinc/15/25/27/520152527.db2.gz MFFOTPNGQJALFT-KGLIPLIRSA-N -1 3 359.401 3.442 20 0 FGADHM O=C(Cc1sccc1Br)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000616824646 520163950 /nfs/dbraw/zinc/16/39/50/520163950.db2.gz LEMQVTNKFCPNMP-SNVBAGLBSA-N -1 3 356.245 3.266 20 0 FGADHM CC(C)(C)n1ncc(C(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)c1C(F)(F)F ZINC000616827005 520164450 /nfs/dbraw/zinc/16/44/50/520164450.db2.gz XDEVRGMTCHMQCO-LLVKDONJSA-N -1 3 371.363 3.484 20 0 FGADHM O=C(CCOc1ccc(F)cc1Cl)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000616826582 520165152 /nfs/dbraw/zinc/16/51/52/520165152.db2.gz PMWQTJYLIAIGGV-AWEZNQCLSA-N -1 3 353.781 3.461 20 0 FGADHM Cc1cc(C)c(-c2cc(=NC(=O)[C@H](C)NC(=O)c3ccoc3)[nH][n-]2)cc1C ZINC000617358606 520453921 /nfs/dbraw/zinc/45/39/21/520453921.db2.gz YNBUPPRROAAVSZ-AWEZNQCLSA-N -1 3 366.421 3.352 20 0 FGADHM CCc1ccc([C@@H](CNC(=O)c2csc(=NC3CC3)[n-]2)N(C)C)cc1 ZINC000607053011 521247580 /nfs/dbraw/zinc/24/75/80/521247580.db2.gz XUHQAGWBJOSFLP-QGZVFWFLSA-N -1 3 358.511 3.313 20 0 FGADHM Cn1cc(I)c(=NC(=O)c2ccc(C3CC3)cc2)[n-]1 ZINC000602391100 521316758 /nfs/dbraw/zinc/31/67/58/521316758.db2.gz ROBKRARAEXDTPV-UHFFFAOYSA-N -1 3 367.190 3.154 20 0 FGADHM CCOCCn1cc(C(=O)N=c2[nH][n-]c(C)c2-c2ccc(C)cc2)cn1 ZINC000630021802 522586164 /nfs/dbraw/zinc/58/61/64/522586164.db2.gz RQRPDSWZPMADDN-UHFFFAOYSA-N -1 3 353.426 3.179 20 0 FGADHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1ncsc1Nc1cccnc1 ZINC000628032172 523283213 /nfs/dbraw/zinc/28/32/13/523283213.db2.gz PAKGIRNNZSJJIC-LBPRGKRZSA-N -1 3 356.411 3.109 20 0 FGADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Br)[C@H]1C[C@H]2C[C@H]2C1 ZINC000622887263 523530656 /nfs/dbraw/zinc/53/06/56/523530656.db2.gz QXQUZSUDZKSZBB-JIGDXULJSA-N -1 3 352.154 3.193 20 0 FGADHM C[C@@H](CNC(=O)N=c1[n-]nc(CC(F)(F)F)s1)N1CCCC[C@H]1C ZINC000483983234 561288915 /nfs/dbraw/zinc/28/89/15/561288915.db2.gz HPQDCBGTGYSQJR-ZJUUUORDSA-N -1 3 365.425 3.027 20 0 FGADHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)C(=O)Nc1cccc2ccsc21 ZINC000472982622 561039348 /nfs/dbraw/zinc/03/93/48/561039348.db2.gz ZNGGGKAKBPWCRM-CYBMUJFWSA-N -1 3 356.407 3.053 20 0 FGADHM CC[C@@H]1CC[C@H](C(=O)N=c2[nH][n-]c(C)c2-c2ccc3c(c2)OCCO3)O1 ZINC000533403225 562507627 /nfs/dbraw/zinc/50/76/27/562507627.db2.gz QEYOGNFDHJMHHR-UKRRQHHQSA-N -1 3 357.410 3.052 20 0 FGADHM CCOC(=O)c1ncc(NC(=O)c2ccccc2COc2ccccc2)[n-]1 ZINC000617876619 568139866 /nfs/dbraw/zinc/13/98/66/568139866.db2.gz XHWQLWXJVJUDIT-UHFFFAOYSA-N -1 3 365.389 3.418 20 0 FGADHM CCOC(=O)c1nc(NC(=O)c2ccccc2COc2ccccc2)c[n-]1 ZINC000617876619 568139867 /nfs/dbraw/zinc/13/98/67/568139867.db2.gz XHWQLWXJVJUDIT-UHFFFAOYSA-N -1 3 365.389 3.418 20 0 FGADHM COc1cccc(S(=O)(=O)[N-]C[C@@H](OC)c2cccc(Cl)c2)c1F ZINC000655527443 568178193 /nfs/dbraw/zinc/17/81/93/568178193.db2.gz SFRSPOMJGXABGJ-CQSZACIVSA-N -1 3 373.833 3.154 20 0 FGADHM C[C@@H]1CC(F)(F)CCN1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000636942976 568216609 /nfs/dbraw/zinc/21/66/09/568216609.db2.gz JHLFSIVHBMQDSP-SECBINFHSA-N -1 3 363.202 3.484 20 0 FGADHM Cc1ccc(C[C@H]2CCCN2C(=O)c2sccc2-c2nnn[n-]2)cc1 ZINC000737333945 598825091 /nfs/dbraw/zinc/82/50/91/598825091.db2.gz CWPBQLRRUNKCTG-CQSZACIVSA-N -1 3 353.451 3.084 20 0 FGADHM Cc1ccc(C[C@H]2CCCN2C(=O)c2sccc2-c2nn[n-]n2)cc1 ZINC000737333945 598825092 /nfs/dbraw/zinc/82/50/92/598825092.db2.gz CWPBQLRRUNKCTG-CQSZACIVSA-N -1 3 353.451 3.084 20 0 FGADHM C[C@@]1(c2ccccc2)CCCN(C(=O)c2sccc2-c2nnn[n-]2)C1 ZINC000736227812 598826906 /nfs/dbraw/zinc/82/69/06/598826906.db2.gz GCPNYOIIRUHDSW-GOSISDBHSA-N -1 3 353.451 3.122 20 0 FGADHM C[C@@]1(c2ccccc2)CCCN(C(=O)c2sccc2-c2nn[n-]n2)C1 ZINC000736227812 598826908 /nfs/dbraw/zinc/82/69/08/598826908.db2.gz GCPNYOIIRUHDSW-GOSISDBHSA-N -1 3 353.451 3.122 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)Cc1c[nH]c2ccc(Cl)cc12 ZINC000737291768 598832585 /nfs/dbraw/zinc/83/25/85/598832585.db2.gz PFOCFMIXDJEGPL-UHFFFAOYSA-N -1 3 366.812 3.491 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)Cc1c[nH]c2ccc(Cl)cc12 ZINC000737291768 598832588 /nfs/dbraw/zinc/83/25/88/598832588.db2.gz PFOCFMIXDJEGPL-UHFFFAOYSA-N -1 3 366.812 3.491 20 0 FGADHM Fc1ccc(C(F)(F)F)cc1CNCc1ccc(-c2nnn[n-]2)cc1F ZINC000737638474 598838002 /nfs/dbraw/zinc/83/80/02/598838002.db2.gz HHDHEDFGOUBEPN-UHFFFAOYSA-N -1 3 369.297 3.454 20 0 FGADHM Fc1ccc(C(F)(F)F)cc1CNCc1ccc(-c2nn[n-]n2)cc1F ZINC000737638474 598838003 /nfs/dbraw/zinc/83/80/03/598838003.db2.gz HHDHEDFGOUBEPN-UHFFFAOYSA-N -1 3 369.297 3.454 20 0 FGADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000736222538 598838281 /nfs/dbraw/zinc/83/82/81/598838281.db2.gz DFWLTOUMPGKLKN-LDDOYCOJSA-N -1 3 371.485 3.211 20 0 FGADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000736222538 598838282 /nfs/dbraw/zinc/83/82/82/598838282.db2.gz DFWLTOUMPGKLKN-LDDOYCOJSA-N -1 3 371.485 3.211 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)Nc1cccc(CC)c1 ZINC000736635061 598850927 /nfs/dbraw/zinc/85/09/27/598850927.db2.gz SKJOQIZRJYKFLM-UHFFFAOYSA-N -1 3 352.398 3.472 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)Nc1cccc(CC)c1 ZINC000736635061 598850928 /nfs/dbraw/zinc/85/09/28/598850928.db2.gz SKJOQIZRJYKFLM-UHFFFAOYSA-N -1 3 352.398 3.472 20 0 FGADHM C[C@@H]1CC[C@@H](NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)[C@H](C)C1 ZINC000736239083 598853825 /nfs/dbraw/zinc/85/38/25/598853825.db2.gz GAERSHHPBRFWCS-HBUWYVDXSA-N -1 3 368.485 3.365 20 0 FGADHM C[C@@H]1CC[C@@H](NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)[C@H](C)C1 ZINC000736239083 598853826 /nfs/dbraw/zinc/85/38/26/598853826.db2.gz GAERSHHPBRFWCS-HBUWYVDXSA-N -1 3 368.485 3.365 20 0 FGADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)c1nc(CCc2ccccc2)no1 ZINC000736170275 598859246 /nfs/dbraw/zinc/85/92/46/598859246.db2.gz SLHGSIAKFLVFFO-ZDUSSCGKSA-N -1 3 362.393 3.175 20 0 FGADHM Clc1cc(-c2nnn[n-]2)cnc1N[C@@H](c1ccccc1)[C@H]1CCCO1 ZINC000737558943 598870471 /nfs/dbraw/zinc/87/04/71/598870471.db2.gz SOBQIFKGFQNOSH-CABCVRRESA-N -1 3 356.817 3.247 20 0 FGADHM Clc1cc(-c2nn[n-]n2)cnc1N[C@@H](c1ccccc1)[C@H]1CCCO1 ZINC000737558943 598870473 /nfs/dbraw/zinc/87/04/73/598870473.db2.gz SOBQIFKGFQNOSH-CABCVRRESA-N -1 3 356.817 3.247 20 0 FGADHM CCCc1ccc(N[C@H](C(=O)OC)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736497954 598877742 /nfs/dbraw/zinc/87/77/42/598877742.db2.gz WLGHGFZRJLVSHZ-KRWDZBQOSA-N -1 3 351.410 3.145 20 0 FGADHM CCCc1ccc(N[C@H](C(=O)OC)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736497954 598877744 /nfs/dbraw/zinc/87/77/44/598877744.db2.gz WLGHGFZRJLVSHZ-KRWDZBQOSA-N -1 3 351.410 3.145 20 0 FGADHM C[C@@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)c1ccc(C(F)F)cc1 ZINC000736037082 598880790 /nfs/dbraw/zinc/88/07/90/598880790.db2.gz DBGVXUIHQBOTAV-NSHDSACASA-N -1 3 374.347 3.429 20 0 FGADHM C[C@@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)c1ccc(C(F)F)cc1 ZINC000736037082 598880791 /nfs/dbraw/zinc/88/07/91/598880791.db2.gz DBGVXUIHQBOTAV-NSHDSACASA-N -1 3 374.347 3.429 20 0 FGADHM Cc1cccc(CCC(=O)O[C@H](C)COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737391402 598885614 /nfs/dbraw/zinc/88/56/14/598885614.db2.gz AVFHKVOAUKYVSV-OAHLLOKOSA-N -1 3 366.421 3.118 20 0 FGADHM Cc1cccc(CCC(=O)O[C@H](C)COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737391402 598885615 /nfs/dbraw/zinc/88/56/15/598885615.db2.gz AVFHKVOAUKYVSV-OAHLLOKOSA-N -1 3 366.421 3.118 20 0 FGADHM c1ccc2c(c1)ccnc2-c1noc(CCc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000738432505 598891317 /nfs/dbraw/zinc/89/13/17/598891317.db2.gz GLGFHWBQEZZIGN-UHFFFAOYSA-N -1 3 369.388 3.250 20 0 FGADHM c1ccc2c(c1)ccnc2-c1noc(CCc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000738432505 598891318 /nfs/dbraw/zinc/89/13/18/598891318.db2.gz GLGFHWBQEZZIGN-UHFFFAOYSA-N -1 3 369.388 3.250 20 0 FGADHM CC(C)[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1-c1nnn[n-]1 ZINC000735712803 598901439 /nfs/dbraw/zinc/90/14/39/598901439.db2.gz UQTQIIPNKHXMHS-GOSISDBHSA-N -1 3 350.422 3.425 20 0 FGADHM CC(C)[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1-c1nn[n-]n1 ZINC000735712803 598901441 /nfs/dbraw/zinc/90/14/41/598901441.db2.gz UQTQIIPNKHXMHS-GOSISDBHSA-N -1 3 350.422 3.425 20 0 FGADHM O=C(C[C@@H]1CCOC1)OCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000737822711 598904217 /nfs/dbraw/zinc/90/42/17/598904217.db2.gz OHJZFBGXWBONKZ-HNNXBMFYSA-N -1 3 364.405 3.004 20 0 FGADHM O=C(C[C@@H]1CCOC1)OCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000737822711 598904218 /nfs/dbraw/zinc/90/42/18/598904218.db2.gz OHJZFBGXWBONKZ-HNNXBMFYSA-N -1 3 364.405 3.004 20 0 FGADHM COc1cc(F)c([C@@H](C)Nc2cccc(F)c2-c2nnn[n-]2)cc1OC ZINC000737054452 598914379 /nfs/dbraw/zinc/91/43/79/598914379.db2.gz QLESOGHNJADKHU-SECBINFHSA-N -1 3 361.352 3.335 20 0 FGADHM COc1cc(F)c([C@@H](C)Nc2cccc(F)c2-c2nn[n-]n2)cc1OC ZINC000737054452 598914380 /nfs/dbraw/zinc/91/43/80/598914380.db2.gz QLESOGHNJADKHU-SECBINFHSA-N -1 3 361.352 3.335 20 0 FGADHM C[C@H](NC(=O)NCC[C@@H]1CCCC[C@H]1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736118890 598920020 /nfs/dbraw/zinc/92/00/20/598920020.db2.gz PTSLQWYNQDBDLT-ILXRZTDVSA-N -1 3 356.474 3.443 20 0 FGADHM C[C@H](NC(=O)NCC[C@@H]1CCCC[C@H]1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736118890 598920022 /nfs/dbraw/zinc/92/00/22/598920022.db2.gz PTSLQWYNQDBDLT-ILXRZTDVSA-N -1 3 356.474 3.443 20 0 FGADHM CCn1cc(C(=O)OCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)cn1 ZINC000736720091 598922063 /nfs/dbraw/zinc/92/20/63/598922063.db2.gz ZHBWQTUIKKTKMG-UHFFFAOYSA-N -1 3 374.404 3.107 20 0 FGADHM CCn1cc(C(=O)OCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)cn1 ZINC000736720091 598922065 /nfs/dbraw/zinc/92/20/65/598922065.db2.gz ZHBWQTUIKKTKMG-UHFFFAOYSA-N -1 3 374.404 3.107 20 0 FGADHM Cc1ccc2cccc(NC(=O)N(C)Cc3ccc(-c4nnn[n-]4)cc3)c2n1 ZINC000737374629 598923524 /nfs/dbraw/zinc/92/35/24/598923524.db2.gz PXFMMPXPMNIOBN-UHFFFAOYSA-N -1 3 373.420 3.387 20 0 FGADHM Cc1ccc2cccc(NC(=O)N(C)Cc3ccc(-c4nn[n-]n4)cc3)c2n1 ZINC000737374629 598923526 /nfs/dbraw/zinc/92/35/26/598923526.db2.gz PXFMMPXPMNIOBN-UHFFFAOYSA-N -1 3 373.420 3.387 20 0 FGADHM CCC(C)(C)NC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000736316356 598925792 /nfs/dbraw/zinc/92/57/92/598925792.db2.gz YHORJLMLZAGGBP-UHFFFAOYSA-N -1 3 365.437 3.364 20 0 FGADHM CCC(C)(C)NC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000736316356 598925794 /nfs/dbraw/zinc/92/57/94/598925794.db2.gz YHORJLMLZAGGBP-UHFFFAOYSA-N -1 3 365.437 3.364 20 0 FGADHM Cc1ccccc1C[C@H]1CCCN1C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000737428229 598934647 /nfs/dbraw/zinc/93/46/47/598934647.db2.gz VDFYELVKLXHODF-SYGIOELKSA-N -1 3 373.460 3.422 20 0 FGADHM Cc1ccccc1C[C@H]1CCCN1C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000737428229 598934650 /nfs/dbraw/zinc/93/46/50/598934650.db2.gz VDFYELVKLXHODF-SYGIOELKSA-N -1 3 373.460 3.422 20 0 FGADHM FC(F)(F)c1ccc(Sc2ncc(-c3nnn[n-]3)cc2Cl)nc1 ZINC000737635666 598936775 /nfs/dbraw/zinc/93/67/75/598936775.db2.gz LUEHBLSAEVBFBE-UHFFFAOYSA-N -1 3 358.736 3.480 20 0 FGADHM FC(F)(F)c1ccc(Sc2ncc(-c3nn[n-]n3)cc2Cl)nc1 ZINC000737635666 598936776 /nfs/dbraw/zinc/93/67/76/598936776.db2.gz LUEHBLSAEVBFBE-UHFFFAOYSA-N -1 3 358.736 3.480 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OCCSc1ccc(F)cc1F ZINC000737031582 598937835 /nfs/dbraw/zinc/93/78/35/598937835.db2.gz AORIIWJVHNPKSN-UHFFFAOYSA-N -1 3 364.377 3.325 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OCCSc1ccc(F)cc1F ZINC000737031582 598937836 /nfs/dbraw/zinc/93/78/36/598937836.db2.gz AORIIWJVHNPKSN-UHFFFAOYSA-N -1 3 364.377 3.325 20 0 FGADHM Clc1ccccc1-n1cc(Nc2ncc(-c3nnn[n-]3)cc2Cl)cn1 ZINC000737584946 598943213 /nfs/dbraw/zinc/94/32/13/598943213.db2.gz UFLWMHWWPTZHAW-UHFFFAOYSA-N -1 3 373.207 3.498 20 0 FGADHM Clc1ccccc1-n1cc(Nc2ncc(-c3nn[n-]n3)cc2Cl)cn1 ZINC000737584946 598943214 /nfs/dbraw/zinc/94/32/14/598943214.db2.gz UFLWMHWWPTZHAW-UHFFFAOYSA-N -1 3 373.207 3.498 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N(C)c1cccc(C(C)C)c1 ZINC000737221565 598948596 /nfs/dbraw/zinc/94/85/96/598948596.db2.gz OMPQNLVYKHLILT-UHFFFAOYSA-N -1 3 371.466 3.124 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N(C)c1cccc(C(C)C)c1 ZINC000737221565 598948597 /nfs/dbraw/zinc/94/85/97/598948597.db2.gz OMPQNLVYKHLILT-UHFFFAOYSA-N -1 3 371.466 3.124 20 0 FGADHM CCO[C@H]1C[C@H](N(C)c2ncc(-c3nnn[n-]3)cc2Cl)C12CCCC2 ZINC000736608169 598977446 /nfs/dbraw/zinc/97/74/46/598977446.db2.gz AMZSTBHRHIISFN-KBPBESRZSA-N -1 3 362.865 3.089 20 0 FGADHM CCO[C@H]1C[C@H](N(C)c2ncc(-c3nn[n-]n3)cc2Cl)C12CCCC2 ZINC000736608169 598977448 /nfs/dbraw/zinc/97/74/48/598977448.db2.gz AMZSTBHRHIISFN-KBPBESRZSA-N -1 3 362.865 3.089 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OCCOc1ccc(SC)cc1 ZINC000737031978 598977907 /nfs/dbraw/zinc/97/79/07/598977907.db2.gz GIJFXPURSDVGSP-UHFFFAOYSA-N -1 3 358.423 3.055 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OCCOc1ccc(SC)cc1 ZINC000737031978 598977909 /nfs/dbraw/zinc/97/79/09/598977909.db2.gz GIJFXPURSDVGSP-UHFFFAOYSA-N -1 3 358.423 3.055 20 0 FGADHM O=C(Nc1cccnc1)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738199355 598987294 /nfs/dbraw/zinc/98/72/94/598987294.db2.gz YGYXSLTTZVAHTQ-UHFFFAOYSA-N -1 3 372.388 3.093 20 0 FGADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)Cc2c[nH]c3ccc(F)cc23)s1 ZINC000736678746 598995995 /nfs/dbraw/zinc/99/59/95/598995995.db2.gz HLEPIRZAQKDNEA-UHFFFAOYSA-N -1 3 370.413 3.292 20 0 FGADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)Cc2c[nH]c3ccc(F)cc23)s1 ZINC000736678746 598995997 /nfs/dbraw/zinc/99/59/97/598995997.db2.gz HLEPIRZAQKDNEA-UHFFFAOYSA-N -1 3 370.413 3.292 20 0 FGADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H](C)CCC1CCCCC1 ZINC000735985783 599007834 /nfs/dbraw/zinc/00/78/34/599007834.db2.gz MQGJPJMZTYWDKM-LSDHHAIUSA-N -1 3 371.485 3.499 20 0 FGADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)OCCOC1CCCCCC1 ZINC000737854053 599015371 /nfs/dbraw/zinc/01/53/71/599015371.db2.gz QLXGVFOADUCEKO-UHFFFAOYSA-N -1 3 358.442 3.082 20 0 FGADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)OCCOC1CCCCCC1 ZINC000737854053 599015373 /nfs/dbraw/zinc/01/53/73/599015373.db2.gz QLXGVFOADUCEKO-UHFFFAOYSA-N -1 3 358.442 3.082 20 0 FGADHM Cc1ccccc1[C@@H]1CN(c2c(F)cc(-c3nnn[n-]3)cc2F)CCO1 ZINC000822352420 599037384 /nfs/dbraw/zinc/03/73/84/599037384.db2.gz ZEVSHZPBKLBLGA-INIZCTEOSA-N -1 3 357.364 3.031 20 0 FGADHM Cc1ccccc1[C@@H]1CN(c2c(F)cc(-c3nn[n-]n3)cc2F)CCO1 ZINC000822352420 599037387 /nfs/dbraw/zinc/03/73/87/599037387.db2.gz ZEVSHZPBKLBLGA-INIZCTEOSA-N -1 3 357.364 3.031 20 0 FGADHM C[C@H]1CN(c2cccc(F)c2-c2nnn[n-]2)C[C@H](c2ccc(F)cc2)O1 ZINC000820775549 599039248 /nfs/dbraw/zinc/03/92/48/599039248.db2.gz IWAZGTWEZXPCSC-MEDUHNTESA-N -1 3 357.364 3.111 20 0 FGADHM C[C@H]1CN(c2cccc(F)c2-c2nn[n-]n2)C[C@H](c2ccc(F)cc2)O1 ZINC000820775549 599039251 /nfs/dbraw/zinc/03/92/51/599039251.db2.gz IWAZGTWEZXPCSC-MEDUHNTESA-N -1 3 357.364 3.111 20 0 FGADHM CCN(Cc1cccs1)c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000736555049 599040881 /nfs/dbraw/zinc/04/08/81/599040881.db2.gz CNZZFBJZZRDNIN-UHFFFAOYSA-N -1 3 354.361 3.369 20 0 FGADHM CCN(Cc1cccs1)c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000736555049 599040884 /nfs/dbraw/zinc/04/08/84/599040884.db2.gz CNZZFBJZZRDNIN-UHFFFAOYSA-N -1 3 354.361 3.369 20 0 FGADHM Cc1cc(Sc2ccc(-c3nnn[n-]3)cc2F)nc(-c2ccncc2)n1 ZINC000822213117 599057343 /nfs/dbraw/zinc/05/73/43/599057343.db2.gz VPGFUGDPAUUJEC-UHFFFAOYSA-N -1 3 365.397 3.317 20 0 FGADHM Cc1cc(Sc2ccc(-c3nn[n-]n3)cc2F)nc(-c2ccncc2)n1 ZINC000822213117 599057346 /nfs/dbraw/zinc/05/73/46/599057346.db2.gz VPGFUGDPAUUJEC-UHFFFAOYSA-N -1 3 365.397 3.317 20 0 FGADHM CN(c1ncc(-c2nnn[n-]2)cc1Cl)[C@@H]1CCCN(c2ccccc2)C1 ZINC000736844155 599060448 /nfs/dbraw/zinc/06/04/48/599060448.db2.gz SGXHNRBEODUHFR-OAHLLOKOSA-N -1 3 369.860 3.020 20 0 FGADHM CN(c1ncc(-c2nn[n-]n2)cc1Cl)[C@@H]1CCCN(c2ccccc2)C1 ZINC000736844155 599060451 /nfs/dbraw/zinc/06/04/51/599060451.db2.gz SGXHNRBEODUHFR-OAHLLOKOSA-N -1 3 369.860 3.020 20 0 FGADHM CC[C@H]1CCCCN1C(=O)[C@@H](C)Sc1ccc(-c2nnn[n-]2)cc1F ZINC000736399665 599063329 /nfs/dbraw/zinc/06/33/29/599063329.db2.gz JOSCKZFBTJIUHR-YPMHNXCESA-N -1 3 363.462 3.278 20 0 FGADHM CC[C@H]1CCCCN1C(=O)[C@@H](C)Sc1ccc(-c2nn[n-]n2)cc1F ZINC000736399665 599063332 /nfs/dbraw/zinc/06/33/32/599063332.db2.gz JOSCKZFBTJIUHR-YPMHNXCESA-N -1 3 363.462 3.278 20 0 FGADHM CN(c1cccc(F)c1-c1nnn[n-]1)[C@H]1CCCN(c2ccccc2)C1 ZINC000736843027 599063389 /nfs/dbraw/zinc/06/33/89/599063389.db2.gz XXQHXMUTILGWEY-HNNXBMFYSA-N -1 3 352.417 3.111 20 0 FGADHM CN(c1cccc(F)c1-c1nn[n-]n1)[C@H]1CCCN(c2ccccc2)C1 ZINC000736843027 599063392 /nfs/dbraw/zinc/06/33/92/599063392.db2.gz XXQHXMUTILGWEY-HNNXBMFYSA-N -1 3 352.417 3.111 20 0 FGADHM CC(C)CCC[C@@H](C)NC(=O)CSc1ccc(-c2nnn[n-]2)cc1F ZINC000735798676 599064838 /nfs/dbraw/zinc/06/48/38/599064838.db2.gz YAAKQAFSOAGIRB-GFCCVEGCSA-N -1 3 365.478 3.429 20 0 FGADHM CC(C)CCC[C@@H](C)NC(=O)CSc1ccc(-c2nn[n-]n2)cc1F ZINC000735798676 599064839 /nfs/dbraw/zinc/06/48/39/599064839.db2.gz YAAKQAFSOAGIRB-GFCCVEGCSA-N -1 3 365.478 3.429 20 0 FGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1F)Nc1cc(F)ccc1F ZINC000737946383 599065865 /nfs/dbraw/zinc/06/58/65/599065865.db2.gz DCQHHUTUQMEXKF-UHFFFAOYSA-N -1 3 365.340 3.015 20 0 FGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1F)Nc1cc(F)ccc1F ZINC000737946383 599065867 /nfs/dbraw/zinc/06/58/67/599065867.db2.gz DCQHHUTUQMEXKF-UHFFFAOYSA-N -1 3 365.340 3.015 20 0 FGADHM C[C@H](CNc1cc(-c2nnn[n-]2)c2ccccc2n1)Oc1ccc(F)cc1 ZINC000820273916 599069206 /nfs/dbraw/zinc/06/92/06/599069206.db2.gz ADQCQLQFMNUTKX-GFCCVEGCSA-N -1 3 364.384 3.433 20 0 FGADHM C[C@H](CNc1cc(-c2nn[n-]n2)c2ccccc2n1)Oc1ccc(F)cc1 ZINC000820273916 599069209 /nfs/dbraw/zinc/06/92/09/599069209.db2.gz ADQCQLQFMNUTKX-GFCCVEGCSA-N -1 3 364.384 3.433 20 0 FGADHM COc1ccc(O[C@H](C)CNc2c(Cl)cccc2-c2nnn[n-]2)cc1 ZINC000821839532 599075370 /nfs/dbraw/zinc/07/53/70/599075370.db2.gz WBXVPVBXJPRGGC-LLVKDONJSA-N -1 3 359.817 3.408 20 0 FGADHM COc1ccc(O[C@H](C)CNc2c(Cl)cccc2-c2nn[n-]n2)cc1 ZINC000821839532 599075373 /nfs/dbraw/zinc/07/53/73/599075373.db2.gz WBXVPVBXJPRGGC-LLVKDONJSA-N -1 3 359.817 3.408 20 0 FGADHM CC[C@@H](NC(=O)Cc1ccc(-c2nnn[n-]2)cc1)C(C)(C)c1ccccc1 ZINC000736361068 599077221 /nfs/dbraw/zinc/07/72/21/599077221.db2.gz DVZWPWSJAFRPQU-GOSISDBHSA-N -1 3 363.465 3.282 20 0 FGADHM CC[C@@H](NC(=O)Cc1ccc(-c2nn[n-]n2)cc1)C(C)(C)c1ccccc1 ZINC000736361068 599077223 /nfs/dbraw/zinc/07/72/23/599077223.db2.gz DVZWPWSJAFRPQU-GOSISDBHSA-N -1 3 363.465 3.282 20 0 FGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N[C@@H]1C[C@@H]1C1CCCCC1 ZINC000737943688 599096267 /nfs/dbraw/zinc/09/62/67/599096267.db2.gz UWYRMFHVHPNCJY-HZPDHXFCSA-N -1 3 357.483 3.044 20 0 FGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N[C@@H]1C[C@@H]1C1CCCCC1 ZINC000737943688 599096270 /nfs/dbraw/zinc/09/62/70/599096270.db2.gz UWYRMFHVHPNCJY-HZPDHXFCSA-N -1 3 357.483 3.044 20 0 FGADHM O=C(CSCc1ccc2c(c1)CCC2)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000737935723 599102241 /nfs/dbraw/zinc/10/22/41/599102241.db2.gz FUWRALMIVZGXDK-UHFFFAOYSA-N -1 3 365.462 3.227 20 0 FGADHM O=C(CSCc1ccc2c(c1)CCC2)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000737935723 599102242 /nfs/dbraw/zinc/10/22/42/599102242.db2.gz FUWRALMIVZGXDK-UHFFFAOYSA-N -1 3 365.462 3.227 20 0 FGADHM Cc1ccc([C@H]2OCCC[C@@H]2CNc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000822233775 599108425 /nfs/dbraw/zinc/10/84/25/599108425.db2.gz UXDUAXKDPNPDKU-CRAIPNDOSA-N -1 3 350.426 3.150 20 0 FGADHM Cc1ccc([C@H]2OCCC[C@@H]2CNc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000822233775 599108430 /nfs/dbraw/zinc/10/84/30/599108430.db2.gz UXDUAXKDPNPDKU-CRAIPNDOSA-N -1 3 350.426 3.150 20 0 FGADHM CCO[C@H]1C[C@@H](Nc2cc(-c3nnn[n-]3)c3ccccc3n2)C12CCC2 ZINC000736612466 599119970 /nfs/dbraw/zinc/11/99/70/599119970.db2.gz PBTURKYKQARMQX-CVEARBPZSA-N -1 3 350.426 3.175 20 0 FGADHM CCO[C@H]1C[C@@H](Nc2cc(-c3nn[n-]n3)c3ccccc3n2)C12CCC2 ZINC000736612466 599119972 /nfs/dbraw/zinc/11/99/72/599119972.db2.gz PBTURKYKQARMQX-CVEARBPZSA-N -1 3 350.426 3.175 20 0 FGADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1CCN(c2ccccc2)CC1 ZINC000737408624 599121944 /nfs/dbraw/zinc/12/19/44/599121944.db2.gz IZCJGNMZEDMTGB-UHFFFAOYSA-N -1 3 371.448 3.050 20 0 FGADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N1CCN(c2ccccc2)CC1 ZINC000737408624 599121945 /nfs/dbraw/zinc/12/19/45/599121945.db2.gz IZCJGNMZEDMTGB-UHFFFAOYSA-N -1 3 371.448 3.050 20 0 FGADHM C[C@@H](NC(=O)[C@@H]1SCCc2sccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000820322062 599136480 /nfs/dbraw/zinc/13/64/80/599136480.db2.gz QGYBLPPSICRNKI-MEBBXXQBSA-N -1 3 371.491 3.136 20 0 FGADHM C[C@@H](NC(=O)[C@@H]1SCCc2sccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000820322062 599136482 /nfs/dbraw/zinc/13/64/82/599136482.db2.gz QGYBLPPSICRNKI-MEBBXXQBSA-N -1 3 371.491 3.136 20 0 FGADHM C[C@@H](NC(=O)[C@H]1SCCc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000820321502 599139457 /nfs/dbraw/zinc/13/94/57/599139457.db2.gz HJQFWVQCVLBKAG-PXAZEXFGSA-N -1 3 365.462 3.075 20 0 FGADHM C[C@@H](NC(=O)[C@H]1SCCc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000820321502 599139459 /nfs/dbraw/zinc/13/94/59/599139459.db2.gz HJQFWVQCVLBKAG-PXAZEXFGSA-N -1 3 365.462 3.075 20 0 FGADHM Cc1cccc([C@H](C)NC(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)c1C ZINC000737391295 599148750 /nfs/dbraw/zinc/14/87/50/599148750.db2.gz ZLCTWRMVDCSEAG-HNNXBMFYSA-N -1 3 364.453 3.386 20 0 FGADHM Cc1cccc([C@H](C)NC(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)c1C ZINC000737391295 599148753 /nfs/dbraw/zinc/14/87/53/599148753.db2.gz ZLCTWRMVDCSEAG-HNNXBMFYSA-N -1 3 364.453 3.386 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H]1SCCc2sccc21 ZINC000822216268 599149518 /nfs/dbraw/zinc/14/95/18/599149518.db2.gz KQMSKNNNTDDGKU-AWEZNQCLSA-N -1 3 357.464 3.206 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H]1SCCc2sccc21 ZINC000822216268 599149520 /nfs/dbraw/zinc/14/95/20/599149520.db2.gz KQMSKNNNTDDGKU-AWEZNQCLSA-N -1 3 357.464 3.206 20 0 FGADHM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820939547 599151301 /nfs/dbraw/zinc/15/13/01/599151301.db2.gz WFBWFYYTDZAEKW-GHJWDPDVSA-N -1 3 361.421 3.318 20 0 FGADHM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820939547 599151302 /nfs/dbraw/zinc/15/13/02/599151302.db2.gz WFBWFYYTDZAEKW-GHJWDPDVSA-N -1 3 361.421 3.318 20 0 FGADHM CC[C@H](C)OC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736324036 599151412 /nfs/dbraw/zinc/15/14/12/599151412.db2.gz GLWKEHOSUXWARA-ZDUSSCGKSA-N -1 3 352.394 3.401 20 0 FGADHM COc1ccc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c(OC)c1OC ZINC000821835024 599156227 /nfs/dbraw/zinc/15/62/27/599156227.db2.gz BGAOMQQZFQRSII-LLVKDONJSA-N -1 3 355.398 3.066 20 0 FGADHM COc1ccc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c(OC)c1OC ZINC000821835024 599156229 /nfs/dbraw/zinc/15/62/29/599156229.db2.gz BGAOMQQZFQRSII-LLVKDONJSA-N -1 3 355.398 3.066 20 0 FGADHM Cc1c2c(nc(SCc3cccc(N(C)C)c3)c1-c1nnn[n-]1)CCC2 ZINC000737219894 599161758 /nfs/dbraw/zinc/16/17/58/599161758.db2.gz TZFPFXWCHPXQIA-UHFFFAOYSA-N -1 3 366.494 3.417 20 0 FGADHM Cc1c2c(nc(SCc3cccc(N(C)C)c3)c1-c1nn[n-]n1)CCC2 ZINC000737219894 599161759 /nfs/dbraw/zinc/16/17/59/599161759.db2.gz TZFPFXWCHPXQIA-UHFFFAOYSA-N -1 3 366.494 3.417 20 0 FGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1F)NCCC1CCCCC1 ZINC000737949610 599169946 /nfs/dbraw/zinc/16/99/46/599169946.db2.gz ZDKWAYCLHHJSJQ-UHFFFAOYSA-N -1 3 363.462 3.185 20 0 FGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1F)NCCC1CCCCC1 ZINC000737949610 599169948 /nfs/dbraw/zinc/16/99/48/599169948.db2.gz ZDKWAYCLHHJSJQ-UHFFFAOYSA-N -1 3 363.462 3.185 20 0 FGADHM CC[C@@H](C)NC(=O)[C@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(C)C ZINC000736328432 599172584 /nfs/dbraw/zinc/17/25/84/599172584.db2.gz WXLZGVAHWYNJFB-QMTHXVAHSA-N -1 3 351.451 3.037 20 0 FGADHM CC[C@@H](C)NC(=O)[C@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(C)C ZINC000736328432 599172587 /nfs/dbraw/zinc/17/25/87/599172587.db2.gz WXLZGVAHWYNJFB-QMTHXVAHSA-N -1 3 351.451 3.037 20 0 FGADHM CC(C)C[C@H](C(=O)NCc1cc(-c2nnn[n-]2)ccc1F)c1ccccc1 ZINC000820051053 599175229 /nfs/dbraw/zinc/17/52/29/599175229.db2.gz KBXKPFQMOHXMRL-KRWDZBQOSA-N -1 3 367.428 3.452 20 0 FGADHM CC(C)C[C@H](C(=O)NCc1cc(-c2nn[n-]n2)ccc1F)c1ccccc1 ZINC000820051053 599175231 /nfs/dbraw/zinc/17/52/31/599175231.db2.gz KBXKPFQMOHXMRL-KRWDZBQOSA-N -1 3 367.428 3.452 20 0 FGADHM COc1ccc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)c(C)c1 ZINC000737072673 599178697 /nfs/dbraw/zinc/17/86/97/599178697.db2.gz VLWRUCGKYTZGFD-UHFFFAOYSA-N -1 3 369.450 3.376 20 0 FGADHM COc1ccc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)c(C)c1 ZINC000737072673 599178700 /nfs/dbraw/zinc/17/87/00/599178700.db2.gz VLWRUCGKYTZGFD-UHFFFAOYSA-N -1 3 369.450 3.376 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)c1cnc2ccsc2c1 ZINC000736626900 599179107 /nfs/dbraw/zinc/17/91/07/599179107.db2.gz MMJWWRLFTIBJQS-UHFFFAOYSA-N -1 3 367.390 3.094 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)c1cnc2ccsc2c1 ZINC000736626900 599179108 /nfs/dbraw/zinc/17/91/08/599179108.db2.gz MMJWWRLFTIBJQS-UHFFFAOYSA-N -1 3 367.390 3.094 20 0 FGADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCC2)[C@@H]1Cc2ccccc21 ZINC000738211582 599179579 /nfs/dbraw/zinc/17/95/79/599179579.db2.gz SHXJKCBRNPDSOA-CYBMUJFWSA-N -1 3 351.435 3.085 20 0 FGADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCC2)[C@@H]1Cc2ccccc21 ZINC000738211582 599179581 /nfs/dbraw/zinc/17/95/81/599179581.db2.gz SHXJKCBRNPDSOA-CYBMUJFWSA-N -1 3 351.435 3.085 20 0 FGADHM CCN(C(=O)c1cc(C(C)(C)C)on1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736506280 599182742 /nfs/dbraw/zinc/18/27/42/599182742.db2.gz SGWHGCNKRAXRCH-GFCCVEGCSA-N -1 3 368.441 3.376 20 0 FGADHM CCN(C(=O)c1cc(C(C)(C)C)on1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736506280 599182744 /nfs/dbraw/zinc/18/27/44/599182744.db2.gz SGWHGCNKRAXRCH-GFCCVEGCSA-N -1 3 368.441 3.376 20 0 FGADHM C[C@H](NC(=O)N1CCC[C@@H]1c1ccco1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736111344 599183119 /nfs/dbraw/zinc/18/31/19/599183119.db2.gz DDRRMOJHDHXEEY-SWLSCSKDSA-N -1 3 352.398 3.067 20 0 FGADHM C[C@H](NC(=O)N1CCC[C@@H]1c1ccco1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736111344 599183121 /nfs/dbraw/zinc/18/31/21/599183121.db2.gz DDRRMOJHDHXEEY-SWLSCSKDSA-N -1 3 352.398 3.067 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)[C@@H]1CCSc2ccccc21 ZINC000738160817 599188665 /nfs/dbraw/zinc/18/86/65/599188665.db2.gz CGSISEKQDCNZOM-GFCCVEGCSA-N -1 3 355.398 3.224 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)[C@@H]1CCSc2ccccc21 ZINC000738160817 599188666 /nfs/dbraw/zinc/18/86/66/599188666.db2.gz CGSISEKQDCNZOM-GFCCVEGCSA-N -1 3 355.398 3.224 20 0 FGADHM CC(C)Oc1cccc([C@H](O)CNc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000735912948 599205153 /nfs/dbraw/zinc/20/51/53/599205153.db2.gz KHNFIZYTGSYIDL-QGZVFWFLSA-N -1 3 373.844 3.453 20 0 FGADHM CC(C)Oc1cccc([C@H](O)CNc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000735912948 599205155 /nfs/dbraw/zinc/20/51/55/599205155.db2.gz KHNFIZYTGSYIDL-QGZVFWFLSA-N -1 3 373.844 3.453 20 0 FGADHM COCCN(C(=O)[C@@H]1C[C@H]1C1CCCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736988375 599205799 /nfs/dbraw/zinc/20/57/99/599205799.db2.gz LAZPOQXFVWEXMD-ZWKOTPCHSA-N -1 3 369.469 3.063 20 0 FGADHM COCCN(C(=O)[C@@H]1C[C@H]1C1CCCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736988375 599205800 /nfs/dbraw/zinc/20/58/00/599205800.db2.gz LAZPOQXFVWEXMD-ZWKOTPCHSA-N -1 3 369.469 3.063 20 0 FGADHM Cc1ccc(OC2CCN(c3ncc(-c4nnn[n-]4)cc3Cl)CC2)cc1 ZINC000737364112 599205942 /nfs/dbraw/zinc/20/59/42/599205942.db2.gz HYQGQMNXDVOYEZ-UHFFFAOYSA-N -1 3 370.844 3.271 20 0 FGADHM Cc1ccc(OC2CCN(c3ncc(-c4nn[n-]n4)cc3Cl)CC2)cc1 ZINC000737364112 599205944 /nfs/dbraw/zinc/20/59/44/599205944.db2.gz HYQGQMNXDVOYEZ-UHFFFAOYSA-N -1 3 370.844 3.271 20 0 FGADHM CCC[C@]1(C)CCCN(C(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821028059 599220231 /nfs/dbraw/zinc/22/02/31/599220231.db2.gz SLOXBGLOWNCBJH-IFXJQAMLSA-N -1 3 357.458 3.063 20 0 FGADHM Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)Cc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000822234012 599221622 /nfs/dbraw/zinc/22/16/22/599221622.db2.gz ZTPSBQGTZLUNRB-CXAGYDPISA-N -1 3 365.437 3.310 20 0 FGADHM Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)Cc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822234012 599221624 /nfs/dbraw/zinc/22/16/24/599221624.db2.gz ZTPSBQGTZLUNRB-CXAGYDPISA-N -1 3 365.437 3.310 20 0 FGADHM COCc1nc(CSCc2cc(-c3nnn[n-]3)ccc2F)cs1 ZINC000821696537 599225441 /nfs/dbraw/zinc/22/54/41/599225441.db2.gz HHSDBQHFWUWGRV-UHFFFAOYSA-N -1 3 351.432 3.042 20 0 FGADHM COCc1nc(CSCc2cc(-c3nn[n-]n3)ccc2F)cs1 ZINC000821696537 599225442 /nfs/dbraw/zinc/22/54/42/599225442.db2.gz HHSDBQHFWUWGRV-UHFFFAOYSA-N -1 3 351.432 3.042 20 0 FGADHM CC(C)[C@@H]1CCCCN1C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000735749487 599225964 /nfs/dbraw/zinc/22/59/64/599225964.db2.gz MYMSDMMGJFZJKG-SFHVURJKSA-N -1 3 371.485 3.453 20 0 FGADHM CC(C)[C@@H]1CCCCN1C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000735749487 599225967 /nfs/dbraw/zinc/22/59/67/599225967.db2.gz MYMSDMMGJFZJKG-SFHVURJKSA-N -1 3 371.485 3.453 20 0 FGADHM C[C@H]1CN(C(=S)Nc2ccccc2-c2nnn[n-]2)[C@H]1c1ccccc1 ZINC000820743543 599230219 /nfs/dbraw/zinc/23/02/19/599230219.db2.gz VBJVZAXSIFTTNW-BLLLJJGKSA-N -1 3 350.451 3.257 20 0 FGADHM C[C@H]1CN(C(=S)Nc2ccccc2-c2nn[n-]n2)[C@H]1c1ccccc1 ZINC000820743543 599230221 /nfs/dbraw/zinc/23/02/21/599230221.db2.gz VBJVZAXSIFTTNW-BLLLJJGKSA-N -1 3 350.451 3.257 20 0 FGADHM Cc1cc(C)cc(C[C@H](C)NC(=O)C=Cc2ccccc2-c2nnn[n-]2)c1 ZINC000737253015 599231152 /nfs/dbraw/zinc/23/11/52/599231152.db2.gz NPEHFCRXJGBVCA-QWGSZXSUSA-N -1 3 361.449 3.244 20 0 FGADHM Cc1cc(C)cc(C[C@H](C)NC(=O)C=Cc2ccccc2-c2nn[n-]n2)c1 ZINC000737253015 599231155 /nfs/dbraw/zinc/23/11/55/599231155.db2.gz NPEHFCRXJGBVCA-QWGSZXSUSA-N -1 3 361.449 3.244 20 0 FGADHM Cc1cc(C)cc(C[C@@H](C)NC(=O)C=Cc2ccccc2-c2nnn[n-]2)c1 ZINC000737253014 599231285 /nfs/dbraw/zinc/23/12/85/599231285.db2.gz NPEHFCRXJGBVCA-HLRDLLSLSA-N -1 3 361.449 3.244 20 0 FGADHM Cc1cc(C)cc(C[C@@H](C)NC(=O)C=Cc2ccccc2-c2nn[n-]n2)c1 ZINC000737253014 599231289 /nfs/dbraw/zinc/23/12/89/599231289.db2.gz NPEHFCRXJGBVCA-HLRDLLSLSA-N -1 3 361.449 3.244 20 0 FGADHM Cc1cc(Cl)ccc1NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822202062 599236156 /nfs/dbraw/zinc/23/61/56/599236156.db2.gz JJGIMXXTCHBERA-UHFFFAOYSA-N -1 3 360.780 3.289 20 0 FGADHM Cc1cc(Cl)ccc1NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822202062 599236158 /nfs/dbraw/zinc/23/61/58/599236158.db2.gz JJGIMXXTCHBERA-UHFFFAOYSA-N -1 3 360.780 3.289 20 0 FGADHM CC1(C)C[C@@H](NC(=O)CCc2ccc(-c3nnn[n-]3)cc2)c2ccccc21 ZINC000820582892 607266024 /nfs/dbraw/zinc/26/60/24/607266024.db2.gz ANKTZHZHXXLULO-GOSISDBHSA-N -1 3 361.449 3.338 20 0 FGADHM CC1(C)C[C@@H](NC(=O)CCc2ccc(-c3nn[n-]n3)cc2)c2ccccc21 ZINC000820582892 607266025 /nfs/dbraw/zinc/26/60/25/607266025.db2.gz ANKTZHZHXXLULO-GOSISDBHSA-N -1 3 361.449 3.338 20 0 FGADHM Cc1ccc(NC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1Cl ZINC000822248396 599236630 /nfs/dbraw/zinc/23/66/30/599236630.db2.gz DGQRJFNEWFXGON-UHFFFAOYSA-N -1 3 360.780 3.289 20 0 FGADHM Cc1ccc(NC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1Cl ZINC000822248396 599236632 /nfs/dbraw/zinc/23/66/32/599236632.db2.gz DGQRJFNEWFXGON-UHFFFAOYSA-N -1 3 360.780 3.289 20 0 FGADHM Cc1ccc(C(=O)CCC(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1C ZINC000822225088 607267575 /nfs/dbraw/zinc/26/75/75/607267575.db2.gz NQLTZQANEBGDSF-UHFFFAOYSA-N -1 3 363.421 3.394 20 0 FGADHM Cc1ccc(C(=O)CCC(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1C ZINC000822225088 607267576 /nfs/dbraw/zinc/26/75/76/607267576.db2.gz NQLTZQANEBGDSF-UHFFFAOYSA-N -1 3 363.421 3.394 20 0 FGADHM Cc1c(NC(=O)COc2cccc3ccccc32)cccc1-c1nnn[n-]1 ZINC000822075370 607269694 /nfs/dbraw/zinc/26/96/94/607269694.db2.gz CUBNNARXEYVSAB-UHFFFAOYSA-N -1 3 359.389 3.346 20 0 FGADHM Cc1c(NC(=O)COc2cccc3ccccc32)cccc1-c1nn[n-]n1 ZINC000822075370 607269695 /nfs/dbraw/zinc/26/96/95/607269695.db2.gz CUBNNARXEYVSAB-UHFFFAOYSA-N -1 3 359.389 3.346 20 0 FGADHM Cc1nc([C@H]2CCCN(C(=O)c3sccc3-c3nnn[n-]3)C2)sc1C ZINC000737473828 599242312 /nfs/dbraw/zinc/24/23/12/599242312.db2.gz HTAKQNBCYNFQSA-NSHDSACASA-N -1 3 374.495 3.021 20 0 FGADHM Cc1nc([C@H]2CCCN(C(=O)c3sccc3-c3nn[n-]n3)C2)sc1C ZINC000737473828 599242314 /nfs/dbraw/zinc/24/23/14/599242314.db2.gz HTAKQNBCYNFQSA-NSHDSACASA-N -1 3 374.495 3.021 20 0 FGADHM Cc1c(NC(=O)Cc2csc(-c3ccoc3)n2)cccc1-c1nnn[n-]1 ZINC000822075990 607270417 /nfs/dbraw/zinc/27/04/17/607270417.db2.gz KRCVCPJYVLFIBE-UHFFFAOYSA-N -1 3 366.406 3.073 20 0 FGADHM Cc1c(NC(=O)Cc2csc(-c3ccoc3)n2)cccc1-c1nn[n-]n1 ZINC000822075990 607270418 /nfs/dbraw/zinc/27/04/18/607270418.db2.gz KRCVCPJYVLFIBE-UHFFFAOYSA-N -1 3 366.406 3.073 20 0 FGADHM Cc1c(NC(=O)c2ccc(OC(F)(F)F)cc2)cccc1-c1nnn[n-]1 ZINC000822108239 607269110 /nfs/dbraw/zinc/26/91/10/607269110.db2.gz GDJYMLNUXIOPRV-UHFFFAOYSA-N -1 3 363.299 3.326 20 0 FGADHM Cc1c(NC(=O)c2ccc(OC(F)(F)F)cc2)cccc1-c1nn[n-]n1 ZINC000822108239 607269111 /nfs/dbraw/zinc/26/91/11/607269111.db2.gz GDJYMLNUXIOPRV-UHFFFAOYSA-N -1 3 363.299 3.326 20 0 FGADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)Nc1ccc(F)c(Cl)c1 ZINC000823238618 599244659 /nfs/dbraw/zinc/24/46/59/599244659.db2.gz QTQUXECKJADMKX-UHFFFAOYSA-N -1 3 364.743 3.120 20 0 FGADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)Nc1ccc(F)c(Cl)c1 ZINC000823238618 599244662 /nfs/dbraw/zinc/24/46/62/599244662.db2.gz QTQUXECKJADMKX-UHFFFAOYSA-N -1 3 364.743 3.120 20 0 FGADHM C[C@H](NC(=O)C=Cc1ccnc2ccccc12)c1ccc(-c2nnn[n-]2)cc1 ZINC000736099789 599246337 /nfs/dbraw/zinc/24/63/37/599246337.db2.gz IAQDQQDXIWJWTJ-BMSUMIBZSA-N -1 3 370.416 3.306 20 0 FGADHM C[C@H](NC(=O)C=Cc1ccnc2ccccc12)c1ccc(-c2nn[n-]n2)cc1 ZINC000736099789 599246339 /nfs/dbraw/zinc/24/63/39/599246339.db2.gz IAQDQQDXIWJWTJ-BMSUMIBZSA-N -1 3 370.416 3.306 20 0 FGADHM CC1(C)[C@@H]2CN(C(=O)c3cccc(Nc4ccc(-c5nn[n-]n5)cc4)c3)C[C@@H]21 ZINC000736204343 599246809 /nfs/dbraw/zinc/24/68/09/599246809.db2.gz DZPGQZCNYCOOAM-HDICACEKSA-N -1 3 374.448 3.338 20 0 FGADHM C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736235879 599249290 /nfs/dbraw/zinc/24/92/90/599249290.db2.gz PNTHMJUOBCKAQW-FZKQIMNGSA-N -1 3 365.412 3.158 20 0 FGADHM C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736235879 599249291 /nfs/dbraw/zinc/24/92/91/599249291.db2.gz PNTHMJUOBCKAQW-FZKQIMNGSA-N -1 3 365.412 3.158 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cn1)c1ccc(OC2CCCCC2)cc1 ZINC000738150779 599249648 /nfs/dbraw/zinc/24/96/48/599249648.db2.gz FVNDGKOHOASNLI-UHFFFAOYSA-N -1 3 364.409 3.226 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cn1)c1ccc(OC2CCCCC2)cc1 ZINC000738150779 599249651 /nfs/dbraw/zinc/24/96/51/599249651.db2.gz FVNDGKOHOASNLI-UHFFFAOYSA-N -1 3 364.409 3.226 20 0 FGADHM CCO[C@H](CCNC(=O)Nc1cccc(-c2nnn[n-]2)c1C)C1CCCC1 ZINC000821351211 607287921 /nfs/dbraw/zinc/28/79/21/607287921.db2.gz NGPIHYOYPRWXME-QGZVFWFLSA-N -1 3 372.473 3.282 20 0 FGADHM CCO[C@H](CCNC(=O)Nc1cccc(-c2nn[n-]n2)c1C)C1CCCC1 ZINC000821351211 607287922 /nfs/dbraw/zinc/28/79/22/607287922.db2.gz NGPIHYOYPRWXME-QGZVFWFLSA-N -1 3 372.473 3.282 20 0 FGADHM Cc1c(NC(=O)N(C)Cc2ccc(F)c(F)c2)cccc1-c1nnn[n-]1 ZINC000822075388 607287262 /nfs/dbraw/zinc/28/72/62/607287262.db2.gz DBQKMTBABYPFBE-UHFFFAOYSA-N -1 3 358.352 3.117 20 0 FGADHM Cc1c(NC(=O)N(C)Cc2ccc(F)c(F)c2)cccc1-c1nn[n-]n1 ZINC000822075388 607287263 /nfs/dbraw/zinc/28/72/63/607287263.db2.gz DBQKMTBABYPFBE-UHFFFAOYSA-N -1 3 358.352 3.117 20 0 FGADHM Cc1ccccc1CC1CN(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)C1 ZINC000822356225 607290192 /nfs/dbraw/zinc/29/01/92/607290192.db2.gz NWZUDLHIWMQFSS-UHFFFAOYSA-N -1 3 362.437 3.190 20 0 FGADHM Cc1ccccc1CC1CN(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)C1 ZINC000822356225 607290193 /nfs/dbraw/zinc/29/01/93/607290193.db2.gz NWZUDLHIWMQFSS-UHFFFAOYSA-N -1 3 362.437 3.190 20 0 FGADHM Cc1c(NC(=O)c2sccc2OC(F)F)cccc1-c1nnn[n-]1 ZINC000822116481 607295035 /nfs/dbraw/zinc/29/50/35/607295035.db2.gz RYQFDCPJYBCAPS-UHFFFAOYSA-N -1 3 351.338 3.090 20 0 FGADHM Cc1c(NC(=O)c2sccc2OC(F)F)cccc1-c1nn[n-]n1 ZINC000822116481 607295036 /nfs/dbraw/zinc/29/50/36/607295036.db2.gz RYQFDCPJYBCAPS-UHFFFAOYSA-N -1 3 351.338 3.090 20 0 FGADHM CC[C@@H](NC(=O)c1ncc(-c2nnn[n-]2)cc1Cl)c1ccc(C)cc1 ZINC000820920219 607299632 /nfs/dbraw/zinc/29/96/32/607299632.db2.gz NDBXFNGJFCSYKT-CQSZACIVSA-N -1 3 356.817 3.105 20 0 FGADHM CC[C@@H](NC(=O)c1ncc(-c2nn[n-]n2)cc1Cl)c1ccc(C)cc1 ZINC000820920219 607299633 /nfs/dbraw/zinc/29/96/33/607299633.db2.gz NDBXFNGJFCSYKT-CQSZACIVSA-N -1 3 356.817 3.105 20 0 FGADHM COc1ccc(CNc2cc(F)ccc2OC(C)C)cc1-c1nnn[n-]1 ZINC000821821639 607316275 /nfs/dbraw/zinc/31/62/75/607316275.db2.gz OMMBIWQJXZSVBA-UHFFFAOYSA-N -1 3 357.389 3.414 20 0 FGADHM COc1ccc(CNc2cc(F)ccc2OC(C)C)cc1-c1nn[n-]n1 ZINC000821821639 607316276 /nfs/dbraw/zinc/31/62/76/607316276.db2.gz OMMBIWQJXZSVBA-UHFFFAOYSA-N -1 3 357.389 3.414 20 0 FGADHM COc1ccc(CNc2cccc(Br)c2)cc1-c1nnn[n-]1 ZINC000821821290 607307771 /nfs/dbraw/zinc/30/77/71/607307771.db2.gz DPJSEERKSGPPLJ-UHFFFAOYSA-N -1 3 360.215 3.250 20 0 FGADHM COc1ccc(CNc2cccc(Br)c2)cc1-c1nn[n-]n1 ZINC000821821290 607307772 /nfs/dbraw/zinc/30/77/72/607307772.db2.gz DPJSEERKSGPPLJ-UHFFFAOYSA-N -1 3 360.215 3.250 20 0 FGADHM Cc1ccc(NC(=O)C2CC2)cc1NCc1cc(-c2nnn[n-]2)cs1 ZINC000822242646 607308457 /nfs/dbraw/zinc/30/84/57/607308457.db2.gz SEWZHIFIOIJLNE-UHFFFAOYSA-N -1 3 354.439 3.197 20 0 FGADHM Cc1ccc(NC(=O)C2CC2)cc1NCc1cc(-c2nn[n-]n2)cs1 ZINC000822242646 607308458 /nfs/dbraw/zinc/30/84/58/607308458.db2.gz SEWZHIFIOIJLNE-UHFFFAOYSA-N -1 3 354.439 3.197 20 0 FGADHM CC(C)c1nc2cc(NCc3cnc4ccc(-c5nnn[n-]5)cn34)ccc2o1 ZINC000820203680 607309803 /nfs/dbraw/zinc/30/98/03/607309803.db2.gz XRAYJNSNIOUYMS-UHFFFAOYSA-N -1 3 374.408 3.391 20 0 FGADHM CC(C)c1nc2cc(NCc3cnc4ccc(-c5nn[n-]n5)cn34)ccc2o1 ZINC000820203680 607309804 /nfs/dbraw/zinc/30/98/04/607309804.db2.gz XRAYJNSNIOUYMS-UHFFFAOYSA-N -1 3 374.408 3.391 20 0 FGADHM Fc1ccc(N(Cc2cccs2)C[C@H]2CCCO2)c(-c2nnn[n-]2)c1 ZINC000822778970 607304678 /nfs/dbraw/zinc/30/46/78/607304678.db2.gz PYBOJJRMUCIGCW-CYBMUJFWSA-N -1 3 359.430 3.253 20 0 FGADHM Fc1ccc(N(Cc2cccs2)C[C@H]2CCCO2)c(-c2nn[n-]n2)c1 ZINC000822778970 607304679 /nfs/dbraw/zinc/30/46/79/607304679.db2.gz PYBOJJRMUCIGCW-CYBMUJFWSA-N -1 3 359.430 3.253 20 0 FGADHM Cc1ccc(CC[C@H](C)NC(=O)Nc2cc(-c3nnn[n-]3)ccc2C)o1 ZINC000822235187 599274036 /nfs/dbraw/zinc/27/40/36/599274036.db2.gz WYJIVYUOHGDZGG-LBPRGKRZSA-N -1 3 354.414 3.219 20 0 FGADHM Cc1ccc(CC[C@H](C)NC(=O)Nc2cc(-c3nn[n-]n3)ccc2C)o1 ZINC000822235187 599274041 /nfs/dbraw/zinc/27/40/41/599274041.db2.gz WYJIVYUOHGDZGG-LBPRGKRZSA-N -1 3 354.414 3.219 20 0 FGADHM C[C@@H](CNC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)Cc1cccs1 ZINC000820270131 599276339 /nfs/dbraw/zinc/27/63/39/599276339.db2.gz VXMWTQWARBICTK-SNVBAGLBSA-N -1 3 360.418 3.068 20 0 FGADHM C[C@@H](CNC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)Cc1cccs1 ZINC000820270131 599276342 /nfs/dbraw/zinc/27/63/42/599276342.db2.gz VXMWTQWARBICTK-SNVBAGLBSA-N -1 3 360.418 3.068 20 0 FGADHM Cc1c(NC(=O)c2ccc(N3CCCCC3)cc2)cccc1-c1nnn[n-]1 ZINC000822107842 607321213 /nfs/dbraw/zinc/32/12/13/607321213.db2.gz DVGFAYXNUWRYLK-UHFFFAOYSA-N -1 3 362.437 3.418 20 0 FGADHM Cc1c(NC(=O)c2ccc(N3CCCCC3)cc2)cccc1-c1nn[n-]n1 ZINC000822107842 607321214 /nfs/dbraw/zinc/32/12/14/607321214.db2.gz DVGFAYXNUWRYLK-UHFFFAOYSA-N -1 3 362.437 3.418 20 0 FGADHM C[C@@H](NCc1cccc(C(=O)[O-])c1)c1cc(F)ccc1N1CCC(O)CC1 ZINC000820147726 598203603 /nfs/dbraw/zinc/20/36/03/598203603.db2.gz BRLWUEURQDKDKN-CQSZACIVSA-N -1 3 372.440 3.336 20 0 FGADHM O=C(C[C@@H]1CCCO1)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737818103 598232211 /nfs/dbraw/zinc/23/22/11/598232211.db2.gz AFJTZLMRHRRGSL-INIZCTEOSA-N -1 3 365.393 3.167 20 0 FGADHM O=C(C[C@@H]1CCCO1)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737818103 598232214 /nfs/dbraw/zinc/23/22/14/598232214.db2.gz AFJTZLMRHRRGSL-INIZCTEOSA-N -1 3 365.393 3.167 20 0 FGADHM O=C(c1sccc1-c1nnn[n-]1)N1CCCC[C@@H]1Cc1ccc(F)cc1 ZINC000738291095 598240245 /nfs/dbraw/zinc/24/02/45/598240245.db2.gz SBMFXCHZUMFJHR-CQSZACIVSA-N -1 3 371.441 3.305 20 0 FGADHM O=C(c1sccc1-c1nn[n-]n1)N1CCCC[C@@H]1Cc1ccc(F)cc1 ZINC000738291095 598240246 /nfs/dbraw/zinc/24/02/46/598240246.db2.gz SBMFXCHZUMFJHR-CQSZACIVSA-N -1 3 371.441 3.305 20 0 FGADHM CC[C@@H](C)[C@H](C)N(C(=O)CSc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000736329169 598240986 /nfs/dbraw/zinc/24/09/86/598240986.db2.gz IOYKDDWMQNDWCL-OLZOCXBDSA-N -1 3 359.499 3.384 20 0 FGADHM CC[C@@H](C)[C@H](C)N(C(=O)CSc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000736329169 598240987 /nfs/dbraw/zinc/24/09/87/598240987.db2.gz IOYKDDWMQNDWCL-OLZOCXBDSA-N -1 3 359.499 3.384 20 0 FGADHM C[C@H](Nc1ccc(-c2nn[n-]n2)cc1F)c1cccc(N2CCCC2=O)c1 ZINC000736140011 598242036 /nfs/dbraw/zinc/24/20/36/598242036.db2.gz SYIVWNZJMZPHJQ-LBPRGKRZSA-N -1 3 366.400 3.306 20 0 FGADHM CCN(CCOc1ccc(-c2nn[n-]n2)cc1)Cc1c(F)cccc1F ZINC000736537870 598257520 /nfs/dbraw/zinc/25/75/20/598257520.db2.gz XVUKEUPXTFWDKC-UHFFFAOYSA-N -1 3 359.380 3.046 20 0 FGADHM O=C(Nc1cc(CC2CCCCC2)[nH]n1)c1sccc1-c1nnn[n-]1 ZINC000738144174 598259794 /nfs/dbraw/zinc/25/97/94/598259794.db2.gz AMNVYGNHFUNPCH-UHFFFAOYSA-N -1 3 357.443 3.026 20 0 FGADHM O=C(Nc1cc(CC2CCCCC2)[nH]n1)c1sccc1-c1nn[n-]n1 ZINC000738144174 598259795 /nfs/dbraw/zinc/25/97/95/598259795.db2.gz AMNVYGNHFUNPCH-UHFFFAOYSA-N -1 3 357.443 3.026 20 0 FGADHM C[C@@H](NC(=O)Nc1cc(F)c(F)cc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000736119299 598266452 /nfs/dbraw/zinc/26/64/52/598266452.db2.gz XJCFAPILNMSUSQ-MRVPVSSYSA-N -1 3 362.315 3.167 20 0 FGADHM C[C@@H](NC(=O)Nc1cc(F)c(F)cc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000736119299 598266454 /nfs/dbraw/zinc/26/64/54/598266454.db2.gz XJCFAPILNMSUSQ-MRVPVSSYSA-N -1 3 362.315 3.167 20 0 FGADHM Cc1cccc2c1CC[C@@H]2NC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000737408740 598273031 /nfs/dbraw/zinc/27/30/31/598273031.db2.gz LVFHDBFUGAQKPO-SFHVURJKSA-N -1 3 362.437 3.004 20 0 FGADHM Cc1cccc2c1CC[C@@H]2NC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000737408740 598273033 /nfs/dbraw/zinc/27/30/33/598273033.db2.gz LVFHDBFUGAQKPO-SFHVURJKSA-N -1 3 362.437 3.004 20 0 FGADHM O[C@@H](c1ccccc1)C1CCN(c2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000738388564 598275841 /nfs/dbraw/zinc/27/58/41/598275841.db2.gz UDAODWDQIMYLMH-SFHVURJKSA-N -1 3 369.856 3.470 20 0 FGADHM O[C@@H](c1ccccc1)C1CCN(c2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000738388564 598275843 /nfs/dbraw/zinc/27/58/43/598275843.db2.gz UDAODWDQIMYLMH-SFHVURJKSA-N -1 3 369.856 3.470 20 0 FGADHM Cc1csc(=Nc2ccccc2-c2nnn[n-]2)n1Cc1ncccc1C ZINC000737434833 598276933 /nfs/dbraw/zinc/27/69/33/598276933.db2.gz CRPWRXCDHCTKTJ-UHFFFAOYSA-N -1 3 363.450 3.022 20 0 FGADHM Cc1csc(=Nc2ccccc2-c2nn[n-]n2)n1Cc1ncccc1C ZINC000737434833 598276935 /nfs/dbraw/zinc/27/69/35/598276935.db2.gz CRPWRXCDHCTKTJ-UHFFFAOYSA-N -1 3 363.450 3.022 20 0 FGADHM CCc1ccc(CNC(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)s1 ZINC000736688806 598277921 /nfs/dbraw/zinc/27/79/21/598277921.db2.gz GDUBNUVESSBFAC-UHFFFAOYSA-N -1 3 373.486 3.369 20 0 FGADHM CCc1ccc(CNC(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)s1 ZINC000736688806 598277922 /nfs/dbraw/zinc/27/79/22/598277922.db2.gz GDUBNUVESSBFAC-UHFFFAOYSA-N -1 3 373.486 3.369 20 0 FGADHM C[C@H]1CCCC[C@H]1N(C)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736268773 598278202 /nfs/dbraw/zinc/27/82/02/598278202.db2.gz FOCDYDVZARIVKH-GXTWGEPZSA-N -1 3 359.478 3.466 20 0 FGADHM C[C@H]1CCCC[C@H]1N(C)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736268773 598278204 /nfs/dbraw/zinc/27/82/04/598278204.db2.gz FOCDYDVZARIVKH-GXTWGEPZSA-N -1 3 359.478 3.466 20 0 FGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)NC(C)(C)c1ccccc1 ZINC000735671752 598280461 /nfs/dbraw/zinc/28/04/61/598280461.db2.gz FPZPVQCECXQZEJ-UHFFFAOYSA-N -1 3 367.457 3.480 20 0 FGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)NC(C)(C)c1ccccc1 ZINC000735671752 598280462 /nfs/dbraw/zinc/28/04/62/598280462.db2.gz FPZPVQCECXQZEJ-UHFFFAOYSA-N -1 3 367.457 3.480 20 0 FGADHM COc1ccc(C2(C(=O)OCc3cccc(-c4nnn[n-]4)c3)CCC2)cc1 ZINC000737075135 598289558 /nfs/dbraw/zinc/28/95/58/598289558.db2.gz DCGATYXSJLOWDI-UHFFFAOYSA-N -1 3 364.405 3.040 20 0 FGADHM COc1ccc(C2(C(=O)OCc3cccc(-c4nn[n-]n4)c3)CCC2)cc1 ZINC000737075135 598289559 /nfs/dbraw/zinc/28/95/59/598289559.db2.gz DCGATYXSJLOWDI-UHFFFAOYSA-N -1 3 364.405 3.040 20 0 FGADHM O=C(OCc1cn2ccccc2c1-c1nnn[n-]1)c1cccc(C(F)F)c1 ZINC000738233751 598289707 /nfs/dbraw/zinc/28/97/07/598289707.db2.gz GSDNGTVGXBKBTB-UHFFFAOYSA-N -1 3 369.331 3.414 20 0 FGADHM O=C(OCc1cn2ccccc2c1-c1nn[n-]n1)c1cccc(C(F)F)c1 ZINC000738233751 598289709 /nfs/dbraw/zinc/28/97/09/598289709.db2.gz GSDNGTVGXBKBTB-UHFFFAOYSA-N -1 3 369.331 3.414 20 0 FGADHM O=C(Cc1ccccc1C(F)(F)F)OCc1ccccc1-c1nnn[n-]1 ZINC000737974300 598289944 /nfs/dbraw/zinc/28/99/44/598289944.db2.gz MOJOBSHIYZJYKK-UHFFFAOYSA-N -1 3 362.311 3.171 20 0 FGADHM O=C(Cc1ccccc1C(F)(F)F)OCc1ccccc1-c1nn[n-]n1 ZINC000737974300 598289945 /nfs/dbraw/zinc/28/99/45/598289945.db2.gz MOJOBSHIYZJYKK-UHFFFAOYSA-N -1 3 362.311 3.171 20 0 FGADHM O=C(OCc1ccncc1)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000738235321 598292820 /nfs/dbraw/zinc/29/28/20/598292820.db2.gz QOLZBGBWOXIRFY-UHFFFAOYSA-N -1 3 373.372 3.411 20 0 FGADHM O=C(OCc1ccncc1)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738235321 598292821 /nfs/dbraw/zinc/29/28/21/598292821.db2.gz QOLZBGBWOXIRFY-UHFFFAOYSA-N -1 3 373.372 3.411 20 0 FGADHM CC[C@H](CC(=O)NCc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000736335286 598297266 /nfs/dbraw/zinc/29/72/66/598297266.db2.gz ZLTCBRWRIOVEIO-CYBMUJFWSA-N -1 3 353.401 3.206 20 0 FGADHM CC[C@H](CC(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000736335286 598297268 /nfs/dbraw/zinc/29/72/68/598297268.db2.gz ZLTCBRWRIOVEIO-CYBMUJFWSA-N -1 3 353.401 3.206 20 0 FGADHM Cc1ccc(NC(=S)NCc2ccc(-c3nnn[n-]3)cc2F)c(C)c1 ZINC000737359468 598297622 /nfs/dbraw/zinc/29/76/22/598297622.db2.gz GRYLQOVAVLKAAE-UHFFFAOYSA-N -1 3 356.430 3.109 20 0 FGADHM Cc1ccc(NC(=S)NCc2ccc(-c3nn[n-]n3)cc2F)c(C)c1 ZINC000737359468 598297623 /nfs/dbraw/zinc/29/76/23/598297623.db2.gz GRYLQOVAVLKAAE-UHFFFAOYSA-N -1 3 356.430 3.109 20 0 FGADHM O=C(c1ccc(-c2nnn[n-]2)cc1)N1CCc2c(ccc(Cl)c2Cl)C1 ZINC000738261784 598297734 /nfs/dbraw/zinc/29/77/34/598297734.db2.gz SZNMROHLJLJMTB-UHFFFAOYSA-N -1 3 374.231 3.372 20 0 FGADHM O=C(c1ccc(-c2nn[n-]n2)cc1)N1CCc2c(ccc(Cl)c2Cl)C1 ZINC000738261784 598297736 /nfs/dbraw/zinc/29/77/36/598297736.db2.gz SZNMROHLJLJMTB-UHFFFAOYSA-N -1 3 374.231 3.372 20 0 FGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)c1[nH]c2ccccc2c1Cl ZINC000738101361 598309867 /nfs/dbraw/zinc/30/98/67/598309867.db2.gz VUSLRJFQEHAQJL-UHFFFAOYSA-N -1 3 370.775 3.071 20 0 FGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)c1[nH]c2ccccc2c1Cl ZINC000738101361 598309868 /nfs/dbraw/zinc/30/98/68/598309868.db2.gz VUSLRJFQEHAQJL-UHFFFAOYSA-N -1 3 370.775 3.071 20 0 FGADHM CC[C@@H](COC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000736354505 598331077 /nfs/dbraw/zinc/33/10/77/598331077.db2.gz UFPLVYOCTVHZLQ-GJZGRUSLSA-N -1 3 366.421 3.371 20 0 FGADHM CC[C@@H](COC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000736354505 598331079 /nfs/dbraw/zinc/33/10/79/598331079.db2.gz UFPLVYOCTVHZLQ-GJZGRUSLSA-N -1 3 366.421 3.371 20 0 FGADHM O=C(NCC1(c2ccc(Cl)cc2)CCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000738037733 598386003 /nfs/dbraw/zinc/38/60/03/598386003.db2.gz FGTHVKPEIBUQNA-UHFFFAOYSA-N -1 3 367.840 3.372 20 0 FGADHM O=C(NCC1(c2ccc(Cl)cc2)CCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000738037733 598386005 /nfs/dbraw/zinc/38/60/05/598386005.db2.gz FGTHVKPEIBUQNA-UHFFFAOYSA-N -1 3 367.840 3.372 20 0 FGADHM Clc1ccc(OCCNc2ncc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000737575638 598386881 /nfs/dbraw/zinc/38/68/81/598386881.db2.gz ZQAICPYQMIJCLU-UHFFFAOYSA-N -1 3 351.197 3.059 20 0 FGADHM Clc1ccc(OCCNc2ncc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000737575638 598386883 /nfs/dbraw/zinc/38/68/83/598386883.db2.gz ZQAICPYQMIJCLU-UHFFFAOYSA-N -1 3 351.197 3.059 20 0 FGADHM Clc1cc(-c2nnn[n-]2)cnc1NCCc1cccc2cccnc21 ZINC000737557691 598388391 /nfs/dbraw/zinc/38/83/91/598388391.db2.gz HLZCXFHYHHGQIM-UHFFFAOYSA-N -1 3 351.801 3.118 20 0 FGADHM Clc1cc(-c2nn[n-]n2)cnc1NCCc1cccc2cccnc21 ZINC000737557691 598388393 /nfs/dbraw/zinc/38/83/93/598388393.db2.gz HLZCXFHYHHGQIM-UHFFFAOYSA-N -1 3 351.801 3.118 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1OCC(=O)Nc1ccc(C(C)C)cc1 ZINC000737221289 598395755 /nfs/dbraw/zinc/39/57/55/598395755.db2.gz HVAYVIIHWBVQOJ-UHFFFAOYSA-N -1 3 351.410 3.316 20 0 FGADHM Cc1cc(C)c(NC(=O)COc2ccc(-c3nn[n-]n3)cc2C)c(C)c1 ZINC000737247964 598396712 /nfs/dbraw/zinc/39/67/12/598396712.db2.gz BZHOCVMRVQEPCW-UHFFFAOYSA-N -1 3 351.410 3.118 20 0 FGADHM C[C@H](Sc1ccc(-c2nnn[n-]2)cc1)C(=O)NCCC1=CCCCC1 ZINC000736192140 598414033 /nfs/dbraw/zinc/41/40/33/598414033.db2.gz KYQHUYMHIGEOQO-ZDUSSCGKSA-N -1 3 357.483 3.354 20 0 FGADHM C[C@H](Sc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCC1=CCCCC1 ZINC000736192140 598414035 /nfs/dbraw/zinc/41/40/35/598414035.db2.gz KYQHUYMHIGEOQO-ZDUSSCGKSA-N -1 3 357.483 3.354 20 0 FGADHM C[C@@H](NC(=O)CNc1ccc(-c2nn[n-]n2)cc1)c1cccc2ccccc21 ZINC000736106927 598415207 /nfs/dbraw/zinc/41/52/07/598415207.db2.gz VMOVICJNWHBYSS-CQSZACIVSA-N -1 3 372.432 3.309 20 0 FGADHM Cc1nc(NC(=O)[C@H](C)Sc2ccc(-c3nnn[n-]3)cc2)sc1C ZINC000737480694 598417346 /nfs/dbraw/zinc/41/73/46/598417346.db2.gz RMVKKUJTHIELPV-JTQLQIEISA-N -1 3 360.468 3.059 20 0 FGADHM Cc1nc(NC(=O)[C@H](C)Sc2ccc(-c3nn[n-]n3)cc2)sc1C ZINC000737480694 598417347 /nfs/dbraw/zinc/41/73/47/598417347.db2.gz RMVKKUJTHIELPV-JTQLQIEISA-N -1 3 360.468 3.059 20 0 FGADHM COc1ccccc1C[C@H](C)CC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000737154214 598419829 /nfs/dbraw/zinc/41/98/29/598419829.db2.gz YQGTVJVDNCCAKH-ZDUSSCGKSA-N -1 3 351.410 3.083 20 0 FGADHM COc1ccccc1C[C@H](C)CC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000737154214 598419831 /nfs/dbraw/zinc/41/98/31/598419831.db2.gz YQGTVJVDNCCAKH-ZDUSSCGKSA-N -1 3 351.410 3.083 20 0 FGADHM Cc1cc(C)cc([C@H](C)NC(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737253412 598430247 /nfs/dbraw/zinc/43/02/47/598430247.db2.gz RHPFDDHYXXUYHX-HNNXBMFYSA-N -1 3 364.453 3.386 20 0 FGADHM Cc1cc(C)cc([C@H](C)NC(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737253412 598430249 /nfs/dbraw/zinc/43/02/49/598430249.db2.gz RHPFDDHYXXUYHX-HNNXBMFYSA-N -1 3 364.453 3.386 20 0 FGADHM CC[C@@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1nc2ccccc2[nH]1 ZINC000736355417 598446438 /nfs/dbraw/zinc/44/64/38/598446438.db2.gz HYURTGZAVBDXKF-AYJWMTRPSA-N -1 3 373.420 3.024 20 0 FGADHM CC[C@@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1nc2ccccc2[nH]1 ZINC000736355417 598446439 /nfs/dbraw/zinc/44/64/39/598446439.db2.gz HYURTGZAVBDXKF-AYJWMTRPSA-N -1 3 373.420 3.024 20 0 FGADHM c1ccc(-c2n[nH]c(C3CCN(c4ccc(-c5nn[n-]n5)cc4)CC3)n2)cc1 ZINC000738423103 598457148 /nfs/dbraw/zinc/45/71/48/598457148.db2.gz NTMPWTLBIZRXTM-UHFFFAOYSA-N -1 3 372.436 3.036 20 0 FGADHM CCc1oc2ccccc2c1CN(C)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736714344 598473266 /nfs/dbraw/zinc/47/32/66/598473266.db2.gz XLIPNARXYOUCBY-UHFFFAOYSA-N -1 3 361.405 3.448 20 0 FGADHM CCc1oc2ccccc2c1CN(C)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736714344 598473268 /nfs/dbraw/zinc/47/32/68/598473268.db2.gz XLIPNARXYOUCBY-UHFFFAOYSA-N -1 3 361.405 3.448 20 0 FGADHM CC(C)(C)SCCNC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735644141 598474086 /nfs/dbraw/zinc/47/40/86/598474086.db2.gz WJHSLGGJVUCFOJ-UHFFFAOYSA-N -1 3 354.867 3.173 20 0 FGADHM CC(C)(C)SCCNC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735644141 598474088 /nfs/dbraw/zinc/47/40/88/598474088.db2.gz WJHSLGGJVUCFOJ-UHFFFAOYSA-N -1 3 354.867 3.173 20 0 FGADHM COc1ccccc1C(C)=CC(=O)OCc1ccc(-c2nnn[n-]2)cc1F ZINC000737141229 598475488 /nfs/dbraw/zinc/47/54/88/598475488.db2.gz IFZFTVJDPJLKFU-FMIVXFBMSA-N -1 3 368.368 3.161 20 0 FGADHM COc1ccccc1C(C)=CC(=O)OCc1ccc(-c2nn[n-]n2)cc1F ZINC000737141229 598475490 /nfs/dbraw/zinc/47/54/90/598475490.db2.gz IFZFTVJDPJLKFU-FMIVXFBMSA-N -1 3 368.368 3.161 20 0 FGADHM CSCc1ccc(NC(=O)NCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737181728 598477229 /nfs/dbraw/zinc/47/72/29/598477229.db2.gz KYFXGXBSACJFCQ-UHFFFAOYSA-N -1 3 354.439 3.051 20 0 FGADHM CSCc1ccc(NC(=O)NCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737181728 598477231 /nfs/dbraw/zinc/47/72/31/598477231.db2.gz KYFXGXBSACJFCQ-UHFFFAOYSA-N -1 3 354.439 3.051 20 0 FGADHM C[C@@H](OC(=O)CCCOCc1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000736148308 598482373 /nfs/dbraw/zinc/48/23/73/598482373.db2.gz GVEQOTXNMZCDIG-OAHLLOKOSA-N -1 3 366.421 3.468 20 0 FGADHM C[C@@H](OC(=O)CCCOCc1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000736148308 598482375 /nfs/dbraw/zinc/48/23/75/598482375.db2.gz GVEQOTXNMZCDIG-OAHLLOKOSA-N -1 3 366.421 3.468 20 0 FGADHM COc1cccc([C@@H](C)C(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000737122523 598483689 /nfs/dbraw/zinc/48/36/89/598483689.db2.gz UNRGIVRMSCXYPU-CHWSQXEVSA-N -1 3 352.394 3.283 20 0 FGADHM COc1cccc([C@@H](C)C(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737122523 598483691 /nfs/dbraw/zinc/48/36/91/598483691.db2.gz UNRGIVRMSCXYPU-CHWSQXEVSA-N -1 3 352.394 3.283 20 0 FGADHM Cc1cc(C(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)nn1-c1ccccc1 ZINC000737238038 598486666 /nfs/dbraw/zinc/48/66/66/598486666.db2.gz HJTYQJSDRGMMLS-CQSZACIVSA-N -1 3 374.404 3.279 20 0 FGADHM Cc1cc(C(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)nn1-c1ccccc1 ZINC000737238038 598486668 /nfs/dbraw/zinc/48/66/68/598486668.db2.gz HJTYQJSDRGMMLS-CQSZACIVSA-N -1 3 374.404 3.279 20 0 FGADHM COc1cccc([C@@H](C)C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)c1 ZINC000737120485 598490228 /nfs/dbraw/zinc/49/02/28/598490228.db2.gz BYDPPQGTFWZSTR-GFCCVEGCSA-N -1 3 368.441 3.174 20 0 FGADHM COc1cccc([C@@H](C)C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)c1 ZINC000737120485 598490230 /nfs/dbraw/zinc/49/02/30/598490230.db2.gz BYDPPQGTFWZSTR-GFCCVEGCSA-N -1 3 368.441 3.174 20 0 FGADHM C[C@H](OC(=O)c1ccc(Cn2cccn2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000736159213 598490500 /nfs/dbraw/zinc/49/05/00/598490500.db2.gz VYGOVCKJLSUZTN-AWEZNQCLSA-N -1 3 374.404 3.030 20 0 FGADHM C[C@H](OC(=O)c1ccc(Cn2cccn2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000736159213 598490502 /nfs/dbraw/zinc/49/05/02/598490502.db2.gz VYGOVCKJLSUZTN-AWEZNQCLSA-N -1 3 374.404 3.030 20 0 FGADHM Cc1c(C(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)cnn1-c1ccccc1 ZINC000737208533 598491081 /nfs/dbraw/zinc/49/10/81/598491081.db2.gz CZUCNCOYCSZEPS-CQSZACIVSA-N -1 3 374.404 3.279 20 0 FGADHM Cc1c(C(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)cnn1-c1ccccc1 ZINC000737208533 598491083 /nfs/dbraw/zinc/49/10/83/598491083.db2.gz CZUCNCOYCSZEPS-CQSZACIVSA-N -1 3 374.404 3.279 20 0 FGADHM C[C@H](OC(=O)CCc1nc2ccccc2o1)c1cccc(-c2nnn[n-]2)c1 ZINC000736150374 598491460 /nfs/dbraw/zinc/49/14/60/598491460.db2.gz NLVYJCJWXMWWFG-LBPRGKRZSA-N -1 3 363.377 3.245 20 0 FGADHM C[C@H](OC(=O)CCc1nc2ccccc2o1)c1cccc(-c2nn[n-]n2)c1 ZINC000736150374 598491461 /nfs/dbraw/zinc/49/14/61/598491461.db2.gz NLVYJCJWXMWWFG-LBPRGKRZSA-N -1 3 363.377 3.245 20 0 FGADHM Cc1c(C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cnn1-c1ccccc1 ZINC000737208532 598491508 /nfs/dbraw/zinc/49/15/08/598491508.db2.gz CZUCNCOYCSZEPS-AWEZNQCLSA-N -1 3 374.404 3.279 20 0 FGADHM Cc1c(C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cnn1-c1ccccc1 ZINC000737208532 598491509 /nfs/dbraw/zinc/49/15/09/598491509.db2.gz CZUCNCOYCSZEPS-AWEZNQCLSA-N -1 3 374.404 3.279 20 0 FGADHM CCc1ccc([C@H](C)C(=O)Oc2ccc(-c3nnn[n-]3)cc2OC)cc1 ZINC000736692149 598498144 /nfs/dbraw/zinc/49/81/44/598498144.db2.gz ZLJMTDUOIJEFTG-LBPRGKRZSA-N -1 3 352.394 3.147 20 0 FGADHM CCc1ccc([C@H](C)C(=O)Oc2ccc(-c3nn[n-]n3)cc2OC)cc1 ZINC000736692149 598498146 /nfs/dbraw/zinc/49/81/46/598498146.db2.gz ZLJMTDUOIJEFTG-LBPRGKRZSA-N -1 3 352.394 3.147 20 0 FGADHM O=C(Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1)[C@H]1CCCOC1 ZINC000738171069 598498548 /nfs/dbraw/zinc/49/85/48/598498548.db2.gz AAEUGCJABIAHKU-AWEZNQCLSA-N -1 3 365.393 3.024 20 0 FGADHM O=C(Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)[C@H]1CCCOC1 ZINC000738171069 598498550 /nfs/dbraw/zinc/49/85/50/598498550.db2.gz AAEUGCJABIAHKU-AWEZNQCLSA-N -1 3 365.393 3.024 20 0 FGADHM C[C@H]1C[C@H]1NC(=O)c1ccccc1SCc1ccc(-c2nnn[n-]2)cc1 ZINC000736235803 598500985 /nfs/dbraw/zinc/50/09/85/598500985.db2.gz GSCNUFLRQIGLDG-BLLLJJGKSA-N -1 3 365.462 3.297 20 0 FGADHM C[C@H]1C[C@H]1NC(=O)c1ccccc1SCc1ccc(-c2nn[n-]n2)cc1 ZINC000736235803 598500986 /nfs/dbraw/zinc/50/09/86/598500986.db2.gz GSCNUFLRQIGLDG-BLLLJJGKSA-N -1 3 365.462 3.297 20 0 FGADHM Cc1nc2ccccc2n1CCNc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000737489245 598508330 /nfs/dbraw/zinc/50/83/30/598508330.db2.gz GETYFIBTTZYECB-UHFFFAOYSA-N -1 3 353.817 3.290 20 0 FGADHM Cc1nc2ccccc2n1CCNc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000737489245 598508332 /nfs/dbraw/zinc/50/83/32/598508332.db2.gz GETYFIBTTZYECB-UHFFFAOYSA-N -1 3 353.817 3.290 20 0 FGADHM COc1ccc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2F)c(Cl)c1 ZINC000737071268 598512502 /nfs/dbraw/zinc/51/25/02/598512502.db2.gz HHRRSVCSGSPLIO-UHFFFAOYSA-N -1 3 362.748 3.025 20 0 FGADHM COc1ccc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2F)c(Cl)c1 ZINC000737071268 598512503 /nfs/dbraw/zinc/51/25/03/598512503.db2.gz HHRRSVCSGSPLIO-UHFFFAOYSA-N -1 3 362.748 3.025 20 0 FGADHM CCc1c(C)sc(NC(=O)COc2cc(C)ccc2C)c1-c1nnn[n-]1 ZINC000736675210 598517784 /nfs/dbraw/zinc/51/77/84/598517784.db2.gz GKEGAJZUPLFXLD-UHFFFAOYSA-N -1 3 371.466 3.433 20 0 FGADHM CCc1c(C)sc(NC(=O)COc2cc(C)ccc2C)c1-c1nn[n-]n1 ZINC000736675210 598517785 /nfs/dbraw/zinc/51/77/85/598517785.db2.gz GKEGAJZUPLFXLD-UHFFFAOYSA-N -1 3 371.466 3.433 20 0 FGADHM CCc1c(C)sc(NC(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)c1-c1nnn[n-]1 ZINC000736670355 598518636 /nfs/dbraw/zinc/51/86/36/598518636.db2.gz NKJIIQOHGMRDAY-FOSCPWQOSA-N -1 3 373.482 3.133 20 0 FGADHM CCc1c(C)sc(NC(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)c1-c1nn[n-]n1 ZINC000736670355 598518637 /nfs/dbraw/zinc/51/86/37/598518637.db2.gz NKJIIQOHGMRDAY-FOSCPWQOSA-N -1 3 373.482 3.133 20 0 FGADHM CC[C@H](Cc1ccccc1)NC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736349622 598528730 /nfs/dbraw/zinc/52/87/30/598528730.db2.gz HTUYSRSCUBAKSP-GOSISDBHSA-N -1 3 364.453 3.029 20 0 FGADHM CC[C@H](Cc1ccccc1)NC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736349622 598528732 /nfs/dbraw/zinc/52/87/32/598528732.db2.gz HTUYSRSCUBAKSP-GOSISDBHSA-N -1 3 364.453 3.029 20 0 FGADHM CNC(=S)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000736882152 598537188 /nfs/dbraw/zinc/53/71/88/598537188.db2.gz KGJZJECFCXEHMR-UHFFFAOYSA-N -1 3 374.857 3.015 20 0 FGADHM CNC(=S)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000736882152 598537189 /nfs/dbraw/zinc/53/71/89/598537189.db2.gz KGJZJECFCXEHMR-UHFFFAOYSA-N -1 3 374.857 3.015 20 0 FGADHM CC(C)N(Cc1noc2c1CCCC2)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000735873650 598539361 /nfs/dbraw/zinc/53/93/61/598539361.db2.gz JXASMMKOKTWXDD-UHFFFAOYSA-N -1 3 352.442 3.144 20 0 FGADHM CC(C)CCN(C)C(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000735804527 598539990 /nfs/dbraw/zinc/53/99/90/598539990.db2.gz UUQVVQYMFSPCEW-UHFFFAOYSA-N -1 3 369.425 3.157 20 0 FGADHM CC(C)(C)C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735589517 598543033 /nfs/dbraw/zinc/54/30/33/598543033.db2.gz LUOKCQSPRRSZGV-UHFFFAOYSA-N -1 3 351.410 3.430 20 0 FGADHM CC(C)(C)C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735589517 598543034 /nfs/dbraw/zinc/54/30/34/598543034.db2.gz LUOKCQSPRRSZGV-UHFFFAOYSA-N -1 3 351.410 3.430 20 0 FGADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cc(F)ccc1Cl ZINC000736171140 598543563 /nfs/dbraw/zinc/54/35/63/598543563.db2.gz ZZTBRQSGWVKCGV-VIFPVBQESA-N -1 3 361.764 3.065 20 0 FGADHM O=C(Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1)c1ccoc1 ZINC000738172452 598544672 /nfs/dbraw/zinc/54/46/72/598544672.db2.gz MABVIQRHCGSFKN-UHFFFAOYSA-N -1 3 361.361 3.291 20 0 FGADHM O=C(Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1)c1ccoc1 ZINC000738172452 598544674 /nfs/dbraw/zinc/54/46/74/598544674.db2.gz MABVIQRHCGSFKN-UHFFFAOYSA-N -1 3 361.361 3.291 20 0 FGADHM CO[C@@H](C)CC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736958306 598554584 /nfs/dbraw/zinc/55/45/84/598554584.db2.gz QKMPMAZARZKBIH-LBPRGKRZSA-N -1 3 353.382 3.023 20 0 FGADHM CO[C@@H](C)CC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736958306 598554586 /nfs/dbraw/zinc/55/45/86/598554586.db2.gz QKMPMAZARZKBIH-LBPRGKRZSA-N -1 3 353.382 3.023 20 0 FGADHM CC(C)(C)CCNC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000735601727 598559972 /nfs/dbraw/zinc/55/99/72/598559972.db2.gz AXALSGNILUWUHH-UHFFFAOYSA-N -1 3 354.361 3.026 20 0 FGADHM CC(C)(C)CCNC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000735601727 598559969 /nfs/dbraw/zinc/55/99/69/598559969.db2.gz AXALSGNILUWUHH-UHFFFAOYSA-N -1 3 354.361 3.026 20 0 FGADHM O=C(Nc1ccccc1-c1nnn[n-]1)c1cc(-c2cccc(Cl)c2)no1 ZINC000738190958 598572571 /nfs/dbraw/zinc/57/25/71/598572571.db2.gz GBCUCNYSUZSSGS-UHFFFAOYSA-N -1 3 366.768 3.427 20 0 FGADHM O=C(Nc1ccccc1-c1nn[n-]n1)c1cc(-c2cccc(Cl)c2)no1 ZINC000738190958 598572572 /nfs/dbraw/zinc/57/25/72/598572572.db2.gz GBCUCNYSUZSSGS-UHFFFAOYSA-N -1 3 366.768 3.427 20 0 FGADHM C[C@@H](NC(=O)N(C)[C@H](C)c1cccc(O)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736113328 598582912 /nfs/dbraw/zinc/58/29/12/598582912.db2.gz YGBVACVLLQRMJJ-CHWSQXEVSA-N -1 3 366.425 3.036 20 0 FGADHM C[C@@H](NC(=O)N(C)[C@H](C)c1cccc(O)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736113328 598582913 /nfs/dbraw/zinc/58/29/13/598582913.db2.gz YGBVACVLLQRMJJ-CHWSQXEVSA-N -1 3 366.425 3.036 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OCc1ccc(SC)c(OC)c1 ZINC000737032091 598584960 /nfs/dbraw/zinc/58/49/60/598584960.db2.gz JEPUXQMQOBYFNR-UHFFFAOYSA-N -1 3 358.423 3.185 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OCc1ccc(SC)c(OC)c1 ZINC000737032091 598584962 /nfs/dbraw/zinc/58/49/62/598584962.db2.gz JEPUXQMQOBYFNR-UHFFFAOYSA-N -1 3 358.423 3.185 20 0 FGADHM CCc1cccc2c(CC(=O)N(C)Cc3ccc(-c4nnn[n-]4)cc3)c[nH]c21 ZINC000736696187 598586215 /nfs/dbraw/zinc/58/62/15/598586215.db2.gz XOGFEEAEAWYUSP-UHFFFAOYSA-N -1 3 374.448 3.112 20 0 FGADHM CCc1cccc2c(CC(=O)N(C)Cc3ccc(-c4nn[n-]n4)cc3)c[nH]c21 ZINC000736696187 598586217 /nfs/dbraw/zinc/58/62/17/598586217.db2.gz XOGFEEAEAWYUSP-UHFFFAOYSA-N -1 3 374.448 3.112 20 0 FGADHM C[C@@H]1C[C@H]1c1ccc(CCC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)o1 ZINC000736242120 598587481 /nfs/dbraw/zinc/58/74/81/598587481.db2.gz ZDXHRUBBVLKLJE-ZWNOBZJWSA-N -1 3 355.373 3.294 20 0 FGADHM C[C@@H]1C[C@H]1c1ccc(CCC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)o1 ZINC000736242120 598587482 /nfs/dbraw/zinc/58/74/82/598587482.db2.gz ZDXHRUBBVLKLJE-ZWNOBZJWSA-N -1 3 355.373 3.294 20 0 FGADHM Cc1[nH]c2ccc(C(=O)Nc3ccc(F)c(-c4nnn[n-]4)c3)cc2c1C ZINC000737197720 598598933 /nfs/dbraw/zinc/59/89/33/598598933.db2.gz DDYLBGKSVXSGFD-UHFFFAOYSA-N -1 3 350.357 3.356 20 0 FGADHM Cc1[nH]c2ccc(C(=O)Nc3ccc(F)c(-c4nn[n-]n4)c3)cc2c1C ZINC000737197720 598598935 /nfs/dbraw/zinc/59/89/35/598598935.db2.gz DDYLBGKSVXSGFD-UHFFFAOYSA-N -1 3 350.357 3.356 20 0 FGADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)c1nc(Cc2cccs2)no1 ZINC000736189880 598608434 /nfs/dbraw/zinc/60/84/34/598608434.db2.gz UGJVADLEOCJWCU-SNVBAGLBSA-N -1 3 354.395 3.042 20 0 FGADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)c1nc(Cc2cccs2)no1 ZINC000736189880 598608435 /nfs/dbraw/zinc/60/84/35/598608435.db2.gz UGJVADLEOCJWCU-SNVBAGLBSA-N -1 3 354.395 3.042 20 0 FGADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)c1nc(-c2ccc(F)c(F)c2)no1 ZINC000736188706 598609598 /nfs/dbraw/zinc/60/95/98/598609598.db2.gz PBSNIGXENSCDDS-VIFPVBQESA-N -1 3 370.319 3.335 20 0 FGADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)c1nc(-c2ccc(F)c(F)c2)no1 ZINC000736188706 598609600 /nfs/dbraw/zinc/60/96/00/598609600.db2.gz PBSNIGXENSCDDS-VIFPVBQESA-N -1 3 370.319 3.335 20 0 FGADHM Cc1cc(-c2noc(CCc3ccc(-c4nn[n-]n4)cc3)n2)ccc1F ZINC000737225751 598611142 /nfs/dbraw/zinc/61/11/42/598611142.db2.gz HZRZOTLEKQMTNI-UHFFFAOYSA-N -1 3 350.357 3.149 20 0 FGADHM Fc1cccc(-c2noc(CSCc3ccc(-c4nnn[n-]4)cc3)n2)c1 ZINC000737665518 598613005 /nfs/dbraw/zinc/61/30/05/598613005.db2.gz HBGHOJXWGZXXRW-UHFFFAOYSA-N -1 3 368.397 3.489 20 0 FGADHM Fc1cccc(-c2noc(CSCc3ccc(-c4nn[n-]n4)cc3)n2)c1 ZINC000737665518 598613006 /nfs/dbraw/zinc/61/30/06/598613006.db2.gz HBGHOJXWGZXXRW-UHFFFAOYSA-N -1 3 368.397 3.489 20 0 FGADHM C[C@@H](c1ccccc1F)N(C)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736204026 598628829 /nfs/dbraw/zinc/62/88/29/598628829.db2.gz PKYINIXJZMLNGP-JTQLQIEISA-N -1 3 358.352 3.370 20 0 FGADHM C[C@@H](c1ccccc1F)N(C)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736204026 598628832 /nfs/dbraw/zinc/62/88/32/598628832.db2.gz PKYINIXJZMLNGP-JTQLQIEISA-N -1 3 358.352 3.370 20 0 FGADHM Clc1ccc(-c2nnn[n-]2)c(NCc2cccc(Cn3cccn3)c2)c1 ZINC000737571000 598634682 /nfs/dbraw/zinc/63/46/82/598634682.db2.gz PIURRBJMQKWDSU-UHFFFAOYSA-N -1 3 365.828 3.377 20 0 FGADHM Clc1ccc(-c2nn[n-]n2)c(NCc2cccc(Cn3cccn3)c2)c1 ZINC000737571000 598634684 /nfs/dbraw/zinc/63/46/84/598634684.db2.gz PIURRBJMQKWDSU-UHFFFAOYSA-N -1 3 365.828 3.377 20 0 FGADHM CC[C@@H]1CCCCN1C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736400525 598643343 /nfs/dbraw/zinc/64/33/43/598643343.db2.gz PGLPJNZEKRXWLC-MRXNPFEDSA-N -1 3 357.458 3.207 20 0 FGADHM CC[C@@H]1CCCCN1C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736400525 598643345 /nfs/dbraw/zinc/64/33/45/598643345.db2.gz PGLPJNZEKRXWLC-MRXNPFEDSA-N -1 3 357.458 3.207 20 0 FGADHM COc1ccccc1OC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000737151617 598645102 /nfs/dbraw/zinc/64/51/02/598645102.db2.gz ICVPYYHVQZXUEK-UHFFFAOYSA-N -1 3 368.393 3.030 20 0 FGADHM COc1ccccc1OC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000737151617 598645103 /nfs/dbraw/zinc/64/51/03/598645103.db2.gz ICVPYYHVQZXUEK-UHFFFAOYSA-N -1 3 368.393 3.030 20 0 FGADHM COc1ccccc1C(C)(C)NC(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000737137843 598646295 /nfs/dbraw/zinc/64/62/95/598646295.db2.gz JQDLEGGQKRDIRI-UHFFFAOYSA-N -1 3 368.466 3.097 20 0 FGADHM COc1ccccc1C(C)(C)NC(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000737137843 598646297 /nfs/dbraw/zinc/64/62/97/598646297.db2.gz JQDLEGGQKRDIRI-UHFFFAOYSA-N -1 3 368.466 3.097 20 0 FGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)OCCCc1ccccc1 ZINC000737949155 598647838 /nfs/dbraw/zinc/64/78/38/598647838.db2.gz XHWSULKABVOPLS-UHFFFAOYSA-N -1 3 354.435 3.135 20 0 FGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)OCCCc1ccccc1 ZINC000737949155 598647840 /nfs/dbraw/zinc/64/78/40/598647840.db2.gz XHWSULKABVOPLS-UHFFFAOYSA-N -1 3 354.435 3.135 20 0 FGADHM C[C@@H](c1ccco1)N(C)C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736200811 598649586 /nfs/dbraw/zinc/64/95/86/598649586.db2.gz CJCFFCWJRLENDJ-AWEZNQCLSA-N -1 3 369.425 3.228 20 0 FGADHM C[C@@H](c1ccco1)N(C)C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736200811 598649588 /nfs/dbraw/zinc/64/95/88/598649588.db2.gz CJCFFCWJRLENDJ-AWEZNQCLSA-N -1 3 369.425 3.228 20 0 FGADHM CC(C)CN(C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000735818196 598651020 /nfs/dbraw/zinc/65/10/20/598651020.db2.gz JOZIDINTPPULST-UHFFFAOYSA-N -1 3 359.474 3.309 20 0 FGADHM CC(C)CN(C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000735818196 598651022 /nfs/dbraw/zinc/65/10/22/598651022.db2.gz JOZIDINTPPULST-UHFFFAOYSA-N -1 3 359.474 3.309 20 0 FGADHM O=C(Nc1cccnc1)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738196990 598651304 /nfs/dbraw/zinc/65/13/04/598651304.db2.gz QDZHKTNTECMXLR-UHFFFAOYSA-N -1 3 358.361 3.306 20 0 FGADHM COc1ccccc1[C@@H](C)CC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000737143609 598652745 /nfs/dbraw/zinc/65/27/45/598652745.db2.gz XECIMQIJGAICJQ-AWEZNQCLSA-N -1 3 365.437 3.028 20 0 FGADHM COc1ccccc1[C@@H](C)CC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000737143609 598652746 /nfs/dbraw/zinc/65/27/46/598652746.db2.gz XECIMQIJGAICJQ-AWEZNQCLSA-N -1 3 365.437 3.028 20 0 FGADHM C[C@H](c1ccco1)N(C(=O)CSc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000736203295 598655268 /nfs/dbraw/zinc/65/52/68/598655268.db2.gz LVYTWVVKJKLREN-GFCCVEGCSA-N -1 3 369.450 3.304 20 0 FGADHM C[C@H](c1ccco1)N(C(=O)CSc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000736203295 598655270 /nfs/dbraw/zinc/65/52/70/598655270.db2.gz LVYTWVVKJKLREN-GFCCVEGCSA-N -1 3 369.450 3.304 20 0 FGADHM CCN(Cc1ccoc1)C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736555080 598657249 /nfs/dbraw/zinc/65/72/49/598657249.db2.gz DHCIFIDCCXGJAP-UHFFFAOYSA-N -1 3 369.425 3.058 20 0 FGADHM CCN(Cc1ccoc1)C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736555080 598657251 /nfs/dbraw/zinc/65/72/51/598657251.db2.gz DHCIFIDCCXGJAP-UHFFFAOYSA-N -1 3 369.425 3.058 20 0 FGADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)Oc1cccc(F)c1F ZINC000737840955 598658493 /nfs/dbraw/zinc/65/84/93/598658493.db2.gz GKGIRLYZKSCNCV-UHFFFAOYSA-N -1 3 374.347 3.300 20 0 FGADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)Oc1cccc(F)c1F ZINC000737840955 598658495 /nfs/dbraw/zinc/65/84/95/598658495.db2.gz GKGIRLYZKSCNCV-UHFFFAOYSA-N -1 3 374.347 3.300 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cn1)[C@H]1C[C@@H]1c1cccc2ccccc21 ZINC000738152323 598664039 /nfs/dbraw/zinc/66/40/39/598664039.db2.gz USZPWIPIIFAKSZ-SJORKVTESA-N -1 3 356.389 3.157 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cn1)[C@H]1C[C@@H]1c1cccc2ccccc21 ZINC000738152323 598664041 /nfs/dbraw/zinc/66/40/41/598664041.db2.gz USZPWIPIIFAKSZ-SJORKVTESA-N -1 3 356.389 3.157 20 0 FGADHM Cc1oc(NC(=O)[C@H](C)N2C[C@H](C)c3ccccc32)c(-c2nnn[n-]2)c1C ZINC000822540988 607364028 /nfs/dbraw/zinc/36/40/28/607364028.db2.gz JPNSBFIGMMRWPU-JQWIXIFHSA-N -1 3 366.425 3.027 20 0 FGADHM Cc1oc(NC(=O)[C@@H](C)N2C[C@H](C)c3ccccc32)c(-c2nnn[n-]2)c1C ZINC000822540987 607364038 /nfs/dbraw/zinc/36/40/38/607364038.db2.gz JPNSBFIGMMRWPU-CMPLNLGQSA-N -1 3 366.425 3.027 20 0 FGADHM Fc1ccc(CN[C@H](c2ccccc2)c2ccccn2)c(-c2nnn[n-]2)c1 ZINC000737647403 598678893 /nfs/dbraw/zinc/67/88/93/598678893.db2.gz DMWGJNINWPZKKW-LJQANCHMSA-N -1 3 360.396 3.280 20 0 FGADHM Fc1ccc(CN[C@H](c2ccccc2)c2ccccn2)c(-c2nn[n-]n2)c1 ZINC000737647403 598678895 /nfs/dbraw/zinc/67/88/95/598678895.db2.gz DMWGJNINWPZKKW-LJQANCHMSA-N -1 3 360.396 3.280 20 0 FGADHM Cc1ccc([C@@H](C)NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)o1 ZINC000737320713 598683529 /nfs/dbraw/zinc/68/35/29/598683529.db2.gz ODKULSJZNYGXMY-CQSZACIVSA-N -1 3 369.425 3.195 20 0 FGADHM Cc1ccc([C@@H](C)NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)o1 ZINC000737320713 598683530 /nfs/dbraw/zinc/68/35/30/598683530.db2.gz ODKULSJZNYGXMY-CQSZACIVSA-N -1 3 369.425 3.195 20 0 FGADHM CCc1ccccc1NC(=O)CSCc1ccc(F)cc1-c1nnn[n-]1 ZINC000736702898 598696597 /nfs/dbraw/zinc/69/65/97/598696597.db2.gz YIMMUWMWOAMMBS-UHFFFAOYSA-N -1 3 371.441 3.440 20 0 FGADHM CCc1ccccc1NC(=O)CSCc1ccc(F)cc1-c1nn[n-]n1 ZINC000736702898 598696599 /nfs/dbraw/zinc/69/65/99/598696599.db2.gz YIMMUWMWOAMMBS-UHFFFAOYSA-N -1 3 371.441 3.440 20 0 FGADHM Cc1cccc(C)c1NC(=O)CSCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737391297 598697698 /nfs/dbraw/zinc/69/76/98/598697698.db2.gz XMYMYNWLJBPNHJ-UHFFFAOYSA-N -1 3 371.441 3.495 20 0 FGADHM Cc1cccc(C)c1NC(=O)CSCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737391297 598697700 /nfs/dbraw/zinc/69/77/00/598697700.db2.gz XMYMYNWLJBPNHJ-UHFFFAOYSA-N -1 3 371.441 3.495 20 0 FGADHM O=C(CSCc1ccc(F)cc1-c1nnn[n-]1)Nc1cccc(F)c1 ZINC000737936102 598698321 /nfs/dbraw/zinc/69/83/21/598698321.db2.gz KDPNDKJDHLKJFU-UHFFFAOYSA-N -1 3 361.377 3.017 20 0 FGADHM O=C(CSCc1ccc(F)cc1-c1nn[n-]n1)Nc1cccc(F)c1 ZINC000737936102 598698322 /nfs/dbraw/zinc/69/83/22/598698322.db2.gz KDPNDKJDHLKJFU-UHFFFAOYSA-N -1 3 361.377 3.017 20 0 FGADHM CCC(=O)Nc1ccc(Cl)c(NCc2ccccc2-c2nnn[n-]2)c1 ZINC000736309547 598699668 /nfs/dbraw/zinc/69/96/68/598699668.db2.gz QBRQAHFQABDANM-UHFFFAOYSA-N -1 3 356.817 3.481 20 0 FGADHM CCC(=O)Nc1ccc(Cl)c(NCc2ccccc2-c2nn[n-]n2)c1 ZINC000736309547 598699669 /nfs/dbraw/zinc/69/96/69/598699669.db2.gz QBRQAHFQABDANM-UHFFFAOYSA-N -1 3 356.817 3.481 20 0 FGADHM Cc1cc(F)ccc1N(Cc1cccc(-c2nnn[n-]2)c1)C[C@H]1CCOC1 ZINC000737271113 598703969 /nfs/dbraw/zinc/70/39/69/598703969.db2.gz RNYAJVYFMAFEAA-MRXNPFEDSA-N -1 3 367.428 3.357 20 0 FGADHM Cc1cc(F)ccc1N(Cc1cccc(-c2nn[n-]n2)c1)C[C@H]1CCOC1 ZINC000737271113 598703970 /nfs/dbraw/zinc/70/39/70/598703970.db2.gz RNYAJVYFMAFEAA-MRXNPFEDSA-N -1 3 367.428 3.357 20 0 FGADHM Cc1ccc(CCC(=O)OCc2ccc(F)cc2-c2nnn[n-]2)c(C)c1 ZINC000737338858 598706294 /nfs/dbraw/zinc/70/62/94/598706294.db2.gz YQKZMQFLWTXTSU-UHFFFAOYSA-N -1 3 354.385 3.299 20 0 FGADHM Cc1ccc(CCC(=O)OCc2ccc(F)cc2-c2nn[n-]n2)c(C)c1 ZINC000737338858 598706295 /nfs/dbraw/zinc/70/62/95/598706295.db2.gz YQKZMQFLWTXTSU-UHFFFAOYSA-N -1 3 354.385 3.299 20 0 FGADHM C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)N1Cc1ccc(-c2nnn[n-]2)cc1F ZINC000736295668 598706436 /nfs/dbraw/zinc/70/64/36/598706436.db2.gz WAPWIPUVQFXIDH-LPMFXHHGSA-N -1 3 367.428 3.356 20 0 FGADHM C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)N1Cc1ccc(-c2nn[n-]n2)cc1F ZINC000736295668 598706437 /nfs/dbraw/zinc/70/64/37/598706437.db2.gz WAPWIPUVQFXIDH-LPMFXHHGSA-N -1 3 367.428 3.356 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)[C@H]1CCCc2ccccc21 ZINC000738229793 598706508 /nfs/dbraw/zinc/70/65/08/598706508.db2.gz AITIRIVMCVEKCP-INIZCTEOSA-N -1 3 352.369 3.169 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)[C@H]1CCCc2ccccc21 ZINC000738229793 598706509 /nfs/dbraw/zinc/70/65/09/598706509.db2.gz AITIRIVMCVEKCP-INIZCTEOSA-N -1 3 352.369 3.169 20 0 FGADHM C[C@H](OC(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1cccc(F)c1 ZINC000736155079 598713168 /nfs/dbraw/zinc/71/31/68/598713168.db2.gz GWHRYUWJLJBZNP-NSHDSACASA-N -1 3 358.398 3.402 20 0 FGADHM C[C@H](OC(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1cccc(F)c1 ZINC000736155079 598713169 /nfs/dbraw/zinc/71/31/69/598713169.db2.gz GWHRYUWJLJBZNP-NSHDSACASA-N -1 3 358.398 3.402 20 0 FGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)OC/C=C\c1ccccc1 ZINC000737948326 598715934 /nfs/dbraw/zinc/71/59/34/598715934.db2.gz UMTXFDPVWARIFU-DAXSKMNVSA-N -1 3 352.419 3.215 20 0 FGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)OC/C=C\c1ccccc1 ZINC000737948326 598715936 /nfs/dbraw/zinc/71/59/36/598715936.db2.gz UMTXFDPVWARIFU-DAXSKMNVSA-N -1 3 352.419 3.215 20 0 FGADHM C[C@H](NC(=O)N[C@H]1c2ccccc2C[C@H]1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736115084 598716689 /nfs/dbraw/zinc/71/66/89/598716689.db2.gz WQMBKXPLLCERHQ-FHSNZYRGSA-N -1 3 362.437 3.160 20 0 FGADHM C[C@H](NC(=O)N[C@H]1c2ccccc2C[C@H]1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736115084 598716690 /nfs/dbraw/zinc/71/66/90/598716690.db2.gz WQMBKXPLLCERHQ-FHSNZYRGSA-N -1 3 362.437 3.160 20 0 FGADHM Cc1cc(C)cc(OCCn2ccc(-c3ccc(-c4nnn[n-]4)cc3)n2)c1 ZINC000737256067 598722438 /nfs/dbraw/zinc/72/24/38/598722438.db2.gz KDWFXICPWJXTMY-UHFFFAOYSA-N -1 3 360.421 3.426 20 0 FGADHM Cc1cc(C)cc(OCCn2ccc(-c3ccc(-c4nn[n-]n4)cc3)n2)c1 ZINC000737256067 598722440 /nfs/dbraw/zinc/72/24/40/598722440.db2.gz KDWFXICPWJXTMY-UHFFFAOYSA-N -1 3 360.421 3.426 20 0 FGADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)O[C@@H]1CCc2c1cccc2Cl ZINC000737955228 598740656 /nfs/dbraw/zinc/74/06/56/598740656.db2.gz BQAFDOSQBYMGGJ-MRXNPFEDSA-N -1 3 354.797 3.293 20 0 FGADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)O[C@@H]1CCc2c1cccc2Cl ZINC000737955228 598740657 /nfs/dbraw/zinc/74/06/57/598740657.db2.gz BQAFDOSQBYMGGJ-MRXNPFEDSA-N -1 3 354.797 3.293 20 0 FGADHM O=C(C[C@@H]1CCc2ccccc2C1)OCc1ccc(-c2nnn[n-]2)cc1F ZINC000737818728 598750828 /nfs/dbraw/zinc/75/08/28/598750828.db2.gz KJMLXNFGPPTHIX-CYBMUJFWSA-N -1 3 366.396 3.244 20 0 FGADHM O=C(C[C@@H]1CCc2ccccc2C1)OCc1ccc(-c2nn[n-]n2)cc1F ZINC000737818728 598750830 /nfs/dbraw/zinc/75/08/30/598750830.db2.gz KJMLXNFGPPTHIX-CYBMUJFWSA-N -1 3 366.396 3.244 20 0 FGADHM C[C@H]1CN(c2c(-c3nnn[n-]3)cnc3c(F)ccc(Cl)c32)CCS1 ZINC000736286954 598756627 /nfs/dbraw/zinc/75/66/27/598756627.db2.gz CGLXSIOTMGWFKT-QMMMGPOBSA-N -1 3 364.837 3.149 20 0 FGADHM C[C@H]1CN(c2c(-c3nn[n-]n3)cnc3c(F)ccc(Cl)c32)CCS1 ZINC000736286954 598756629 /nfs/dbraw/zinc/75/66/29/598756629.db2.gz CGLXSIOTMGWFKT-QMMMGPOBSA-N -1 3 364.837 3.149 20 0 FGADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1ccc(Cl)cc1F ZINC000736185082 598762250 /nfs/dbraw/zinc/76/22/50/598762250.db2.gz SMQKMWYVEXPNMI-SECBINFHSA-N -1 3 361.764 3.065 20 0 FGADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1ccc(Cl)cc1F ZINC000736185082 598762252 /nfs/dbraw/zinc/76/22/52/598762252.db2.gz SMQKMWYVEXPNMI-SECBINFHSA-N -1 3 361.764 3.065 20 0 FGADHM COc1ccc(NCc2ccc(-c3nnn[n-]3)cc2)cc1Br ZINC000737105540 598776039 /nfs/dbraw/zinc/77/60/39/598776039.db2.gz IVQYIDJQUVQVJX-UHFFFAOYSA-N -1 3 360.215 3.250 20 0 FGADHM COc1ccc(NCc2ccc(-c3nn[n-]n3)cc2)cc1Br ZINC000737105540 598776040 /nfs/dbraw/zinc/77/60/40/598776040.db2.gz IVQYIDJQUVQVJX-UHFFFAOYSA-N -1 3 360.215 3.250 20 0 FGADHM CC(C)[C@H]1CCC[C@H](NC(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000735747213 598782885 /nfs/dbraw/zinc/78/28/85/598782885.db2.gz QIHXUOSFVBFWPR-IRXDYDNUSA-N -1 3 356.474 3.223 20 0 FGADHM CC(C)[C@H]1CCC[C@H](NC(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000735747213 598782886 /nfs/dbraw/zinc/78/28/86/598782886.db2.gz QIHXUOSFVBFWPR-IRXDYDNUSA-N -1 3 356.474 3.223 20 0 FGADHM CSc1ccc(N(C)C(=O)CSc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737189907 598791394 /nfs/dbraw/zinc/79/13/94/598791394.db2.gz HRPXWMYFCCLRSD-UHFFFAOYSA-N -1 3 371.491 3.344 20 0 FGADHM CSc1ccc(N(C)C(=O)CSc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737189907 598791396 /nfs/dbraw/zinc/79/13/96/598791396.db2.gz HRPXWMYFCCLRSD-UHFFFAOYSA-N -1 3 371.491 3.344 20 0 FGADHM O=C(NC/C=C/c1ccccc1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000738051226 598800833 /nfs/dbraw/zinc/80/08/33/598800833.db2.gz LOOACLSHSCMMDP-QPJJXVBHSA-N -1 3 354.801 3.355 20 0 FGADHM O=C(NC/C=C/c1ccccc1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000738051226 598800834 /nfs/dbraw/zinc/80/08/34/598800834.db2.gz LOOACLSHSCMMDP-QPJJXVBHSA-N -1 3 354.801 3.355 20 0 FGADHM CN(C(=O)c1ccc(-n2cccc2)c(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000736743031 598807419 /nfs/dbraw/zinc/80/74/19/598807419.db2.gz XDMYGGWDZDOWBB-UHFFFAOYSA-N -1 3 362.368 3.073 20 0 FGADHM CN(C(=O)c1ccc(-n2cccc2)c(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000736743031 598807421 /nfs/dbraw/zinc/80/74/21/598807421.db2.gz XDMYGGWDZDOWBB-UHFFFAOYSA-N -1 3 362.368 3.073 20 0 FGADHM CCN(C(=O)CSc1ccc(OC)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736504502 599308875 /nfs/dbraw/zinc/30/88/75/599308875.db2.gz FIPMFLFBDQMWMD-UHFFFAOYSA-N -1 3 369.450 3.021 20 0 FGADHM CCN(C(=O)CSc1ccc(OC)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736504502 599308877 /nfs/dbraw/zinc/30/88/77/599308877.db2.gz FIPMFLFBDQMWMD-UHFFFAOYSA-N -1 3 369.450 3.021 20 0 FGADHM Brc1cccc2c1CN(Cc1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000735368399 599320962 /nfs/dbraw/zinc/32/09/62/599320962.db2.gz LMLCTTUCXMWEHM-UHFFFAOYSA-N -1 3 370.254 3.188 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)[C@@H]1C[C@]12CCCc1ccccc12 ZINC000823332267 599321436 /nfs/dbraw/zinc/32/14/36/599321436.db2.gz MJSPYPDVLUDZDT-JXFKEZNVSA-N -1 3 363.396 3.239 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)[C@@H]1C[C@]12CCCc1ccccc12 ZINC000823332267 599321438 /nfs/dbraw/zinc/32/14/38/599321438.db2.gz MJSPYPDVLUDZDT-JXFKEZNVSA-N -1 3 363.396 3.239 20 0 FGADHM CC(C)(CNC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1cccc(F)c1 ZINC000735670203 599337005 /nfs/dbraw/zinc/33/70/05/599337005.db2.gz IMGZIMXLOCQAAV-UHFFFAOYSA-N -1 3 372.379 3.244 20 0 FGADHM CC(C)(CNC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1cccc(F)c1 ZINC000735670203 599337007 /nfs/dbraw/zinc/33/70/07/599337007.db2.gz IMGZIMXLOCQAAV-UHFFFAOYSA-N -1 3 372.379 3.244 20 0 FGADHM Cc1cc(N[C@H](C)c2cccc(-c3nnn[n-]3)c2)nc(-c2cccnc2)n1 ZINC000822209551 599353018 /nfs/dbraw/zinc/35/30/18/599353018.db2.gz NPVFRJFLKWNYRJ-CYBMUJFWSA-N -1 3 358.409 3.200 20 0 FGADHM Cc1cc(N[C@H](C)c2cccc(-c3nn[n-]n3)c2)nc(-c2cccnc2)n1 ZINC000822209551 599353021 /nfs/dbraw/zinc/35/30/21/599353021.db2.gz NPVFRJFLKWNYRJ-CYBMUJFWSA-N -1 3 358.409 3.200 20 0 FGADHM CCC(=CC(=O)OCC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000825028861 607371688 /nfs/dbraw/zinc/37/16/88/607371688.db2.gz KUIRJNLIMRPHTH-WYMLVPIESA-N -1 3 362.389 3.086 20 0 FGADHM CCC(=CC(=O)OCC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000825028861 607371690 /nfs/dbraw/zinc/37/16/90/607371690.db2.gz KUIRJNLIMRPHTH-WYMLVPIESA-N -1 3 362.389 3.086 20 0 FGADHM C[C@@H](N[C@H](C)c1cccc(-c2nn[n-]n2)c1)c1nnc(-c2ccccc2)o1 ZINC000820411257 599389432 /nfs/dbraw/zinc/38/94/32/599389432.db2.gz HPKTZFRFZZWNJY-CHWSQXEVSA-N -1 3 361.409 3.329 20 0 FGADHM c1ccc(N2CC[C@H](CNc3cc(-c4nnn[n-]4)c4ccccc4n3)C2)cc1 ZINC000738436140 599408398 /nfs/dbraw/zinc/40/83/98/599408398.db2.gz QNMQQIBZKBSGLO-OAHLLOKOSA-N -1 3 371.448 3.353 20 0 FGADHM c1ccc(N2CC[C@H](CNc3cc(-c4nn[n-]n4)c4ccccc4n3)C2)cc1 ZINC000738436140 599408401 /nfs/dbraw/zinc/40/84/01/599408401.db2.gz QNMQQIBZKBSGLO-OAHLLOKOSA-N -1 3 371.448 3.353 20 0 FGADHM Cc1cnn(-c2ccc(C)cc2NCc2cc(-c3nnn[n-]3)ccc2F)c1 ZINC000822225130 607375556 /nfs/dbraw/zinc/37/55/56/607375556.db2.gz PQFVMCLKEGTHSW-UHFFFAOYSA-N -1 3 363.400 3.420 20 0 FGADHM Cc1cnn(-c2ccc(C)cc2NCc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC000822225130 607375557 /nfs/dbraw/zinc/37/55/57/607375557.db2.gz PQFVMCLKEGTHSW-UHFFFAOYSA-N -1 3 363.400 3.420 20 0 FGADHM C[C@H](CCNc1cc(Cl)ccc1-c1nnn[n-]1)NC(=O)OC(C)(C)C ZINC000735987367 599421860 /nfs/dbraw/zinc/42/18/60/599421860.db2.gz STRXVBMCRCKREC-SNVBAGLBSA-N -1 3 366.853 3.235 20 0 FGADHM C[C@H](CCNc1cc(Cl)ccc1-c1nn[n-]n1)NC(=O)OC(C)(C)C ZINC000735987367 599421861 /nfs/dbraw/zinc/42/18/61/599421861.db2.gz STRXVBMCRCKREC-SNVBAGLBSA-N -1 3 366.853 3.235 20 0 FGADHM C[C@@H](NC(=O)N[C@H]1CCc2cc(F)ccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820356768 599422135 /nfs/dbraw/zinc/42/21/35/599422135.db2.gz BOPYPSIOTNLJBU-DIFFPNOSSA-N -1 3 366.400 3.054 20 0 FGADHM C[C@@H](NC(=O)N[C@H]1CCc2cc(F)ccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820356768 599422137 /nfs/dbraw/zinc/42/21/37/599422137.db2.gz BOPYPSIOTNLJBU-DIFFPNOSSA-N -1 3 366.400 3.054 20 0 FGADHM C[C@H](NC(=O)N[C@@H]1CCc2c1cccc2F)c1cccc(-c2nnn[n-]2)c1 ZINC000820356614 599422223 /nfs/dbraw/zinc/42/22/23/599422223.db2.gz ALDDJDIRUXXKIR-APPDUMDISA-N -1 3 366.400 3.054 20 0 FGADHM C[C@H](NC(=O)N[C@@H]1CCc2c1cccc2F)c1cccc(-c2nn[n-]n2)c1 ZINC000820356614 599422227 /nfs/dbraw/zinc/42/22/27/599422227.db2.gz ALDDJDIRUXXKIR-APPDUMDISA-N -1 3 366.400 3.054 20 0 FGADHM C[C@H](NC(=O)N[C@H]1CCc2cc(F)ccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820356869 599422673 /nfs/dbraw/zinc/42/26/73/599422673.db2.gz BOPYPSIOTNLJBU-GTNSWQLSSA-N -1 3 366.400 3.054 20 0 FGADHM C[C@H](NC(=O)N[C@H]1CCc2cc(F)ccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820356869 599422676 /nfs/dbraw/zinc/42/26/76/599422676.db2.gz BOPYPSIOTNLJBU-GTNSWQLSSA-N -1 3 366.400 3.054 20 0 FGADHM CCc1nccn1[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000736706619 599431484 /nfs/dbraw/zinc/43/14/84/599431484.db2.gz YCUXROBFQQXKGY-CYBMUJFWSA-N -1 3 357.849 3.121 20 0 FGADHM CC(C)Oc1ccc([C@H](O)CNc2cc(Cl)ccc2-c2nnn[n-]2)cc1 ZINC000735914682 599438106 /nfs/dbraw/zinc/43/81/06/599438106.db2.gz IGEAEFZHGYZDJX-QGZVFWFLSA-N -1 3 373.844 3.453 20 0 FGADHM CC(C)Oc1ccc([C@H](O)CNc2cc(Cl)ccc2-c2nn[n-]n2)cc1 ZINC000735914682 599438109 /nfs/dbraw/zinc/43/81/09/599438109.db2.gz IGEAEFZHGYZDJX-QGZVFWFLSA-N -1 3 373.844 3.453 20 0 FGADHM CCC[C@@H](C)c1cc(NC(=O)CCc2ccc(-c3nnn[n-]3)cc2)n[nH]1 ZINC000821015429 599444886 /nfs/dbraw/zinc/44/48/86/599444886.db2.gz PZTSRBVRGPRXGY-GFCCVEGCSA-N -1 3 353.430 3.065 20 0 FGADHM CCC[C@@H](C)c1cc(NC(=O)CCc2ccc(-c3nn[n-]n3)cc2)n[nH]1 ZINC000821015429 599444889 /nfs/dbraw/zinc/44/48/89/599444889.db2.gz PZTSRBVRGPRXGY-GFCCVEGCSA-N -1 3 353.430 3.065 20 0 FGADHM Cc1cnn(-c2ccc(NCc3ccc(-c4nnn[n-]4)cc3F)cc2F)c1 ZINC000737445216 599445581 /nfs/dbraw/zinc/44/55/81/599445581.db2.gz QKDYCMFSIWYTAH-UHFFFAOYSA-N -1 3 367.363 3.251 20 0 FGADHM Cc1cnn(-c2ccc(NCc3ccc(-c4nn[n-]n4)cc3F)cc2F)c1 ZINC000737445216 599445583 /nfs/dbraw/zinc/44/55/83/599445583.db2.gz QKDYCMFSIWYTAH-UHFFFAOYSA-N -1 3 367.363 3.251 20 0 FGADHM CCCN(Cc1ccccc1)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000821109966 599458753 /nfs/dbraw/zinc/45/87/53/599458753.db2.gz UWFKYKXQZGYIPI-UHFFFAOYSA-N -1 3 368.416 3.128 20 0 FGADHM CCCN(Cc1ccccc1)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000821109966 599458755 /nfs/dbraw/zinc/45/87/55/599458755.db2.gz UWFKYKXQZGYIPI-UHFFFAOYSA-N -1 3 368.416 3.128 20 0 FGADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCCCCC1CCCC1 ZINC000821612041 599468573 /nfs/dbraw/zinc/46/85/73/599468573.db2.gz GCWRIWHWPZMESX-UHFFFAOYSA-N -1 3 356.474 3.369 20 0 FGADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCCCCC1CCCC1 ZINC000821612041 599468575 /nfs/dbraw/zinc/46/85/75/599468575.db2.gz GCWRIWHWPZMESX-UHFFFAOYSA-N -1 3 356.474 3.369 20 0 FGADHM Fc1ccc2[nH]c3c(c2c1)CN(c1ccc(F)cc1-c1nnn[n-]1)CC3 ZINC000822778052 599472378 /nfs/dbraw/zinc/47/23/78/599472378.db2.gz BHTXKQFFVWLOOJ-UHFFFAOYSA-N -1 3 352.348 3.189 20 0 FGADHM Fc1ccc2[nH]c3c(c2c1)CN(c1ccc(F)cc1-c1nn[n-]n1)CC3 ZINC000822778052 599472381 /nfs/dbraw/zinc/47/23/81/599472381.db2.gz BHTXKQFFVWLOOJ-UHFFFAOYSA-N -1 3 352.348 3.189 20 0 FGADHM Fc1ccc(NCc2cc(Cl)c3c(c2)OCCO3)c(-c2nnn[n-]2)c1 ZINC000822782851 599472714 /nfs/dbraw/zinc/47/27/14/599472714.db2.gz JNSHPSBPGHNMMM-UHFFFAOYSA-N -1 3 361.764 3.043 20 0 FGADHM Fc1ccc(NCc2cc(Cl)c3c(c2)OCCO3)c(-c2nn[n-]n2)c1 ZINC000822782851 599472715 /nfs/dbraw/zinc/47/27/15/599472715.db2.gz JNSHPSBPGHNMMM-UHFFFAOYSA-N -1 3 361.764 3.043 20 0 FGADHM CCO[C@H](C)c1nc(CN(C)Cc2cccc(-c3nnn[n-]3)c2)cs1 ZINC000736615212 599474905 /nfs/dbraw/zinc/47/49/05/599474905.db2.gz JGAGXSWVAGKSPV-GFCCVEGCSA-N -1 3 358.471 3.053 20 0 FGADHM CCO[C@H](C)c1nc(CN(C)Cc2cccc(-c3nn[n-]n3)c2)cs1 ZINC000736615212 599474906 /nfs/dbraw/zinc/47/49/06/599474906.db2.gz JGAGXSWVAGKSPV-GFCCVEGCSA-N -1 3 358.471 3.053 20 0 FGADHM CCO[C@H](C)c1noc(CN(CC(C)C)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000736615242 599474970 /nfs/dbraw/zinc/47/49/70/599474970.db2.gz JWCMESXZBIJOIS-CYBMUJFWSA-N -1 3 371.445 3.010 20 0 FGADHM CC[C@H](CNC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000820908280 599476501 /nfs/dbraw/zinc/47/65/01/599476501.db2.gz JXNNOOOZGMKBCM-LSDHHAIUSA-N -1 3 364.453 3.421 20 0 FGADHM CC[C@H](CNC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000820908280 599476503 /nfs/dbraw/zinc/47/65/03/599476503.db2.gz JXNNOOOZGMKBCM-LSDHHAIUSA-N -1 3 364.453 3.421 20 0 FGADHM CC[C@H](c1ccncc1)N(C)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820944748 599476662 /nfs/dbraw/zinc/47/66/62/599476662.db2.gz NWQHVBVENNFTHF-CXAGYDPISA-N -1 3 365.441 3.115 20 0 FGADHM CC[C@H](c1ccncc1)N(C)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820944748 599476664 /nfs/dbraw/zinc/47/66/64/599476664.db2.gz NWQHVBVENNFTHF-CXAGYDPISA-N -1 3 365.441 3.115 20 0 FGADHM Clc1cccc(-c2nnn[n-]2)c1NCc1cnn(Cc2ccccc2)c1 ZINC000822585549 599478764 /nfs/dbraw/zinc/47/87/64/599478764.db2.gz DOEGXFJBOYZTQS-UHFFFAOYSA-N -1 3 365.828 3.377 20 0 FGADHM Clc1cccc(-c2nn[n-]n2)c1NCc1cnn(Cc2ccccc2)c1 ZINC000822585549 599478769 /nfs/dbraw/zinc/47/87/69/599478769.db2.gz DOEGXFJBOYZTQS-UHFFFAOYSA-N -1 3 365.828 3.377 20 0 FGADHM C[C@@H](NC(=O)N1CCc2sccc2[C@@H]1C)c1cccc(-c2nnn[n-]2)c1 ZINC000820353074 599478990 /nfs/dbraw/zinc/47/89/90/599478990.db2.gz XUUGRPZZPJTWNN-NEPJUHHUSA-N -1 3 368.466 3.318 20 0 FGADHM C[C@@H](NC(=O)N1CCc2sccc2[C@@H]1C)c1cccc(-c2nn[n-]n2)c1 ZINC000820353074 599478992 /nfs/dbraw/zinc/47/89/92/599478992.db2.gz XUUGRPZZPJTWNN-NEPJUHHUSA-N -1 3 368.466 3.318 20 0 FGADHM CCN(Cc1ccccc1C)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821230732 599484233 /nfs/dbraw/zinc/48/42/33/599484233.db2.gz OZXFNXDJADYKPW-HNNXBMFYSA-N -1 3 364.453 3.468 20 0 FGADHM CCN(Cc1ccccc1C)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821230732 599484234 /nfs/dbraw/zinc/48/42/34/599484234.db2.gz OZXFNXDJADYKPW-HNNXBMFYSA-N -1 3 364.453 3.468 20 0 FGADHM C[C@@H](NC(=O)N1Cc2ccccc2C[C@H]1C)c1cccc(-c2nnn[n-]2)c1 ZINC000820351600 599485746 /nfs/dbraw/zinc/48/57/46/599485746.db2.gz PWKPMFQXZMLFHC-ZIAGYGMSSA-N -1 3 362.437 3.084 20 0 FGADHM C[C@@H](NC(=O)N1Cc2ccccc2C[C@H]1C)c1cccc(-c2nn[n-]n2)c1 ZINC000820351600 599485749 /nfs/dbraw/zinc/48/57/49/599485749.db2.gz PWKPMFQXZMLFHC-ZIAGYGMSSA-N -1 3 362.437 3.084 20 0 FGADHM C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736237277 599492438 /nfs/dbraw/zinc/49/24/38/599492438.db2.gz WOPXDQHFADZISB-IUODEOHRSA-N -1 3 366.400 3.416 20 0 FGADHM C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736237277 599492441 /nfs/dbraw/zinc/49/24/41/599492441.db2.gz WOPXDQHFADZISB-IUODEOHRSA-N -1 3 366.400 3.416 20 0 FGADHM C[C@@H]1CN(c2c(-c3nnn[n-]3)cnc3ccccc32)C[C@@H](c2ccccc2)O1 ZINC000820767312 599495043 /nfs/dbraw/zinc/49/50/43/599495043.db2.gz HXEOJPDYUHQVLC-KUHUBIRLSA-N -1 3 372.432 3.381 20 0 FGADHM C[C@@H]1CN(c2c(-c3nn[n-]n3)cnc3ccccc32)C[C@@H](c2ccccc2)O1 ZINC000820767312 599495045 /nfs/dbraw/zinc/49/50/45/599495045.db2.gz HXEOJPDYUHQVLC-KUHUBIRLSA-N -1 3 372.432 3.381 20 0 FGADHM C[C@@H](NC(=O)c1cc2cc(F)ccc2o1)c1cccc(-c2nnn[n-]2)c1 ZINC000820390615 599499293 /nfs/dbraw/zinc/49/92/93/599499293.db2.gz JGLFFSVCZIAYMN-SNVBAGLBSA-N -1 3 351.341 3.243 20 0 FGADHM C[C@@H](NC(=O)c1cc2cc(F)ccc2o1)c1cccc(-c2nn[n-]n2)c1 ZINC000820390615 599499294 /nfs/dbraw/zinc/49/92/94/599499294.db2.gz JGLFFSVCZIAYMN-SNVBAGLBSA-N -1 3 351.341 3.243 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)NC1(c2ccccc2F)CC1 ZINC000738152430 599499596 /nfs/dbraw/zinc/49/95/96/599499596.db2.gz SRQZLAPHXFKKGG-UHFFFAOYSA-N -1 3 372.791 3.470 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)NC1(c2ccccc2F)CC1 ZINC000738152430 599499599 /nfs/dbraw/zinc/49/95/99/599499599.db2.gz SRQZLAPHXFKKGG-UHFFFAOYSA-N -1 3 372.791 3.470 20 0 FGADHM COc1ccccc1[C@H](C)CC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821883603 599507792 /nfs/dbraw/zinc/50/77/92/599507792.db2.gz YCZZAELDVXOZIK-KGLIPLIRSA-N -1 3 365.437 3.246 20 0 FGADHM COc1ccccc1[C@H](C)CC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821883603 599507794 /nfs/dbraw/zinc/50/77/94/599507794.db2.gz YCZZAELDVXOZIK-KGLIPLIRSA-N -1 3 365.437 3.246 20 0 FGADHM Cc1cc(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c2ccccc2n1 ZINC000822167829 599507864 /nfs/dbraw/zinc/50/78/64/599507864.db2.gz IZAOHZYHSHNKOG-CYBMUJFWSA-N -1 3 358.405 3.214 20 0 FGADHM Cc1cc(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c2ccccc2n1 ZINC000822167829 599507865 /nfs/dbraw/zinc/50/78/65/599507865.db2.gz IZAOHZYHSHNKOG-CYBMUJFWSA-N -1 3 358.405 3.214 20 0 FGADHM Fc1ccc(N2CCc3c(Br)cccc3C2)c(-c2nnn[n-]2)c1 ZINC000822779009 599509260 /nfs/dbraw/zinc/50/92/60/599509260.db2.gz RGNVPAIQEJHCTC-UHFFFAOYSA-N -1 3 374.217 3.331 20 0 FGADHM Fc1ccc(N2CCc3c(Br)cccc3C2)c(-c2nn[n-]n2)c1 ZINC000822779009 599509262 /nfs/dbraw/zinc/50/92/62/599509262.db2.gz RGNVPAIQEJHCTC-UHFFFAOYSA-N -1 3 374.217 3.331 20 0 FGADHM COc1ccc([C@H]2CCN(c3c(-c4nnn[n-]4)cnc4ccccc43)C2)cc1 ZINC000821786917 599510885 /nfs/dbraw/zinc/51/08/85/599510885.db2.gz LIALVNWRWDXJLZ-HNNXBMFYSA-N -1 3 372.432 3.417 20 0 FGADHM COc1ccc([C@H]2CCN(c3c(-c4nn[n-]n4)cnc4ccccc43)C2)cc1 ZINC000821786917 599510887 /nfs/dbraw/zinc/51/08/87/599510887.db2.gz LIALVNWRWDXJLZ-HNNXBMFYSA-N -1 3 372.432 3.417 20 0 FGADHM C[C@@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)c1cc2occc2s1 ZINC000736041358 599515838 /nfs/dbraw/zinc/51/58/38/599515838.db2.gz WAMZGIILMFREHO-JTQLQIEISA-N -1 3 370.390 3.299 20 0 FGADHM C[C@@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)c1cc2occc2s1 ZINC000736041358 599515840 /nfs/dbraw/zinc/51/58/40/599515840.db2.gz WAMZGIILMFREHO-JTQLQIEISA-N -1 3 370.390 3.299 20 0 FGADHM C[C@H](Cc1ccccc1F)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820300596 599515899 /nfs/dbraw/zinc/51/58/99/599515899.db2.gz RHJHBAHDBMOSFZ-CHWSQXEVSA-N -1 3 353.401 3.062 20 0 FGADHM C[C@H](Cc1ccccc1F)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820300596 599515900 /nfs/dbraw/zinc/51/59/00/599515900.db2.gz RHJHBAHDBMOSFZ-CHWSQXEVSA-N -1 3 353.401 3.062 20 0 FGADHM Cc1ccc(OCCCC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822263549 599527678 /nfs/dbraw/zinc/52/76/78/599527678.db2.gz SHOJIFNYCIPALX-OAHLLOKOSA-N -1 3 365.437 3.212 20 0 FGADHM Cc1ccc(OCCCC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822263549 599527679 /nfs/dbraw/zinc/52/76/79/599527679.db2.gz SHOJIFNYCIPALX-OAHLLOKOSA-N -1 3 365.437 3.212 20 0 FGADHM C[C@H](C[C@H](O)c1ccccc1)Nc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000820236238 607382700 /nfs/dbraw/zinc/38/27/00/607382700.db2.gz ZYUIUIYHSPXGRD-ACJLOTCBSA-N -1 3 360.421 3.339 20 0 FGADHM C[C@H](C[C@H](O)c1ccccc1)Nc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000820236238 607382702 /nfs/dbraw/zinc/38/27/02/607382702.db2.gz ZYUIUIYHSPXGRD-ACJLOTCBSA-N -1 3 360.421 3.339 20 0 FGADHM Cc1ccc([C@@H](C)CNC(=S)Nc2ccccc2-c2nnn[n-]2)cc1 ZINC000737322311 599537374 /nfs/dbraw/zinc/53/73/74/599537374.db2.gz XVAFGMSHIIWUFE-ZDUSSCGKSA-N -1 3 352.467 3.265 20 0 FGADHM Cc1ccc([C@@H](C)CNC(=S)Nc2ccccc2-c2nn[n-]n2)cc1 ZINC000737322311 599537377 /nfs/dbraw/zinc/53/73/77/599537377.db2.gz XVAFGMSHIIWUFE-ZDUSSCGKSA-N -1 3 352.467 3.265 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)CC/C=C/c1ccccc1 ZINC000737025483 599539895 /nfs/dbraw/zinc/53/98/95/599539895.db2.gz QZRNJXIOPAOKAA-WEVVVXLNSA-N -1 3 350.378 3.274 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)CC/C=C/c1ccccc1 ZINC000737025483 599539897 /nfs/dbraw/zinc/53/98/97/599539897.db2.gz QZRNJXIOPAOKAA-WEVVVXLNSA-N -1 3 350.378 3.274 20 0 FGADHM C[C@H](NC(=O)c1ccccc1C(F)(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000820397912 599541671 /nfs/dbraw/zinc/54/16/71/599541671.db2.gz WTXQUSGZUBGPBC-JTQLQIEISA-N -1 3 361.327 3.377 20 0 FGADHM C[C@H](NC(=O)c1ccccc1C(F)(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000820397912 599541673 /nfs/dbraw/zinc/54/16/73/599541673.db2.gz WTXQUSGZUBGPBC-JTQLQIEISA-N -1 3 361.327 3.377 20 0 FGADHM CC[C@@H](NC(=O)CCc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1F ZINC000736356851 599550048 /nfs/dbraw/zinc/55/00/48/599550048.db2.gz ITDNRIPSUOLYDZ-QGZVFWFLSA-N -1 3 371.391 3.345 20 0 FGADHM CC[C@@H](NC(=O)CCc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1F ZINC000736356851 599550050 /nfs/dbraw/zinc/55/00/50/599550050.db2.gz ITDNRIPSUOLYDZ-QGZVFWFLSA-N -1 3 371.391 3.345 20 0 FGADHM Cc1ccc(NC(=O)NCCSCc2ccccc2-c2nnn[n-]2)s1 ZINC000822248575 599551756 /nfs/dbraw/zinc/55/17/56/599551756.db2.gz GTJPOHXMFPKTPW-UHFFFAOYSA-N -1 3 374.495 3.292 20 0 FGADHM Cc1ccc(NC(=O)NCCSCc2ccccc2-c2nn[n-]n2)s1 ZINC000822248575 599551758 /nfs/dbraw/zinc/55/17/58/599551758.db2.gz GTJPOHXMFPKTPW-UHFFFAOYSA-N -1 3 374.495 3.292 20 0 FGADHM C[C@H]1c2ccc(F)cc2CCN1C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000736300380 599554322 /nfs/dbraw/zinc/55/43/22/599554322.db2.gz BJVBTPOFLFXQBB-XURPKSDJSA-N -1 3 363.396 3.165 20 0 FGADHM C[C@H]1c2ccc(F)cc2CCN1C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000736300380 599554323 /nfs/dbraw/zinc/55/43/23/599554323.db2.gz BJVBTPOFLFXQBB-XURPKSDJSA-N -1 3 363.396 3.165 20 0 FGADHM C[C@@H]1c2c(F)cccc2CCN1C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000736300287 599554518 /nfs/dbraw/zinc/55/45/18/599554518.db2.gz AAMIPUZDODTACE-CYBMUJFWSA-N -1 3 365.412 3.084 20 0 FGADHM C[C@@H]1c2c(F)cccc2CCN1C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000736300287 599554519 /nfs/dbraw/zinc/55/45/19/599554519.db2.gz AAMIPUZDODTACE-CYBMUJFWSA-N -1 3 365.412 3.084 20 0 FGADHM c1oc(-c2ccccc2)nc1CNc1nc2c(cc1-c1nnn[n-]1)CCC2 ZINC000823766891 599587090 /nfs/dbraw/zinc/58/70/90/599587090.db2.gz LCNHLIXWTCYKCL-UHFFFAOYSA-N -1 3 359.393 3.018 20 0 FGADHM c1oc(-c2ccccc2)nc1CNc1nc2c(cc1-c1nn[n-]n1)CCC2 ZINC000823766891 599587093 /nfs/dbraw/zinc/58/70/93/599587093.db2.gz LCNHLIXWTCYKCL-UHFFFAOYSA-N -1 3 359.393 3.018 20 0 FGADHM C[C@H]1c2c(F)cccc2CCN1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000736303115 599599157 /nfs/dbraw/zinc/59/91/57/599599157.db2.gz RWXPHSFNMGOREL-NSHDSACASA-N -1 3 352.373 3.157 20 0 FGADHM C[C@H]1c2c(F)cccc2CCN1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000736303115 599599159 /nfs/dbraw/zinc/59/91/59/599599159.db2.gz RWXPHSFNMGOREL-NSHDSACASA-N -1 3 352.373 3.157 20 0 FGADHM C[C@@H]1c2ccc(F)cc2CCN1C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736300764 599611295 /nfs/dbraw/zinc/61/12/95/599611295.db2.gz FOPODCDKFXWTFW-SNVBAGLBSA-N -1 3 370.363 3.296 20 0 FGADHM C[C@@H]1c2ccc(F)cc2CCN1C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736300764 599611296 /nfs/dbraw/zinc/61/12/96/599611296.db2.gz FOPODCDKFXWTFW-SNVBAGLBSA-N -1 3 370.363 3.296 20 0 FGADHM CCO[C@H]1C[C@H](OC(=O)c2ccc(-c3nnn[n-]3)cc2)C12CCCCC2 ZINC000821369242 599626273 /nfs/dbraw/zinc/62/62/73/599626273.db2.gz YCHMZZWJOIJUBM-HOTGVXAUSA-N -1 3 356.426 3.151 20 0 FGADHM CCO[C@H]1C[C@H](OC(=O)c2ccc(-c3nn[n-]n3)cc2)C12CCCCC2 ZINC000821369242 599626274 /nfs/dbraw/zinc/62/62/74/599626274.db2.gz YCHMZZWJOIJUBM-HOTGVXAUSA-N -1 3 356.426 3.151 20 0 FGADHM C[C@@H]1CC[C@H](CCC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)O1 ZINC000820690659 599628587 /nfs/dbraw/zinc/62/85/87/599628587.db2.gz PRZCWSGFKGRGKD-GHMZBOCLSA-N -1 3 361.471 3.093 20 0 FGADHM C[C@@H]1CC[C@H](CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)O1 ZINC000820690659 599628588 /nfs/dbraw/zinc/62/85/88/599628588.db2.gz PRZCWSGFKGRGKD-GHMZBOCLSA-N -1 3 361.471 3.093 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)[C@@H](C)C(F)(F)F ZINC000821388961 599629599 /nfs/dbraw/zinc/62/95/99/599629599.db2.gz CMJBIOZCOZVCKQ-ZCFIWIBFSA-N -1 3 364.711 3.023 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)[C@@H](C)C(F)(F)F ZINC000821388961 599629600 /nfs/dbraw/zinc/62/96/00/599629600.db2.gz CMJBIOZCOZVCKQ-ZCFIWIBFSA-N -1 3 364.711 3.023 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[C@@H]1SCCc2ccccc21 ZINC000823303644 599629994 /nfs/dbraw/zinc/62/99/94/599629994.db2.gz PMGVZKZVMZLSKU-OAHLLOKOSA-N -1 3 371.853 3.489 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)[C@@H]1SCCc2ccccc21 ZINC000823303644 599629995 /nfs/dbraw/zinc/62/99/95/599629995.db2.gz PMGVZKZVMZLSKU-OAHLLOKOSA-N -1 3 371.853 3.489 20 0 FGADHM C[C@@H]1CC[C@H](CCC(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)O1 ZINC000820689647 599632742 /nfs/dbraw/zinc/63/27/42/599632742.db2.gz ACTGIFDSNJAEFP-MWLCHTKSSA-N -1 3 369.347 3.172 20 0 FGADHM C[C@@H]1CC[C@H](CCC(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)O1 ZINC000820689647 599632743 /nfs/dbraw/zinc/63/27/43/599632743.db2.gz ACTGIFDSNJAEFP-MWLCHTKSSA-N -1 3 369.347 3.172 20 0 FGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cccc2cnccc21 ZINC000820151484 599647683 /nfs/dbraw/zinc/64/76/83/599647683.db2.gz IVYCOEOKPCZJBA-UHFFFAOYSA-N -1 3 374.404 3.454 20 0 FGADHM Cc1ccc(SCCOC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000822271291 599648938 /nfs/dbraw/zinc/64/89/38/599648938.db2.gz VKVIIIWCVGHXHU-UHFFFAOYSA-N -1 3 354.435 3.433 20 0 FGADHM Cc1ccc(SCCOC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000822271291 599648939 /nfs/dbraw/zinc/64/89/39/599648939.db2.gz VKVIIIWCVGHXHU-UHFFFAOYSA-N -1 3 354.435 3.433 20 0 FGADHM Cc1cnc(COC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)o1 ZINC000822394959 599650668 /nfs/dbraw/zinc/65/06/68/599650668.db2.gz MDWRSXSBRMSWHS-UHFFFAOYSA-N -1 3 361.361 3.187 20 0 FGADHM Cc1cnc(COC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)o1 ZINC000822394959 599650669 /nfs/dbraw/zinc/65/06/69/599650669.db2.gz MDWRSXSBRMSWHS-UHFFFAOYSA-N -1 3 361.361 3.187 20 0 FGADHM Cc1ncccc1NC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000822477061 599657294 /nfs/dbraw/zinc/65/72/94/599657294.db2.gz FIAGBARDRILOOF-UHFFFAOYSA-N -1 3 356.389 3.489 20 0 FGADHM Cc1ncccc1NC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000822477061 599657295 /nfs/dbraw/zinc/65/72/95/599657295.db2.gz FIAGBARDRILOOF-UHFFFAOYSA-N -1 3 356.389 3.489 20 0 FGADHM C[C@@]1(C(=O)OCc2cc(-c3nnn[n-]3)ccc2F)CCc2ccccc2C1 ZINC000820577021 599671386 /nfs/dbraw/zinc/67/13/86/599671386.db2.gz GWXMEIUALUCOCY-HXUWFJFHSA-N -1 3 366.396 3.244 20 0 FGADHM C[C@@]1(C(=O)OCc2cc(-c3nn[n-]n3)ccc2F)CCc2ccccc2C1 ZINC000820577021 599671387 /nfs/dbraw/zinc/67/13/87/599671387.db2.gz GWXMEIUALUCOCY-HXUWFJFHSA-N -1 3 366.396 3.244 20 0 FGADHM C[C@H](CCOc1ccccc1)C(=O)OCc1cc(-c2nnn[n-]2)ccc1F ZINC000820249743 599672350 /nfs/dbraw/zinc/67/23/50/599672350.db2.gz ZAHYFKSNSLQBJA-CYBMUJFWSA-N -1 3 370.384 3.154 20 0 FGADHM C[C@H](CCOc1ccccc1)C(=O)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000820249743 599672351 /nfs/dbraw/zinc/67/23/51/599672351.db2.gz ZAHYFKSNSLQBJA-CYBMUJFWSA-N -1 3 370.384 3.154 20 0 FGADHM CCC(C)(C)CC(=O)OCc1c(-c2nnn[n-]2)c(C)nn1-c1ccccc1 ZINC000820848397 599673426 /nfs/dbraw/zinc/67/34/26/599673426.db2.gz WZSWTSLNSYLPLV-UHFFFAOYSA-N -1 3 368.441 3.230 20 0 FGADHM CC(C)(C)OC(=O)NC(C)(C)CNc1c(Cl)cccc1-c1nnn[n-]1 ZINC000819984389 599686069 /nfs/dbraw/zinc/68/60/69/599686069.db2.gz UNQBORARCWDVKQ-UHFFFAOYSA-N -1 3 366.853 3.235 20 0 FGADHM CC(C)(C)OC(=O)NC(C)(C)CNc1c(Cl)cccc1-c1nn[n-]n1 ZINC000819984389 599686070 /nfs/dbraw/zinc/68/60/70/599686070.db2.gz UNQBORARCWDVKQ-UHFFFAOYSA-N -1 3 366.853 3.235 20 0 FGADHM CC(C)(C)OC(=O)CCCNc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000819927966 599688551 /nfs/dbraw/zinc/68/85/51/599688551.db2.gz DDWLGRGQOKNRJI-UHFFFAOYSA-N -1 3 371.363 3.419 20 0 FGADHM COc1ccc(-c2cnc(CNc3cc(-c4nnn[n-]4)ccc3C)o2)cc1 ZINC000821731378 599691769 /nfs/dbraw/zinc/69/17/69/599691769.db2.gz BWNKSRKDHUQZHZ-UHFFFAOYSA-N -1 3 362.393 3.451 20 0 FGADHM COc1ccc(-c2cnc(CNc3cc(-c4nn[n-]n4)ccc3C)o2)cc1 ZINC000821731378 599691770 /nfs/dbraw/zinc/69/17/70/599691770.db2.gz BWNKSRKDHUQZHZ-UHFFFAOYSA-N -1 3 362.393 3.451 20 0 FGADHM Cc1ccc(F)c(NC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)c1 ZINC000826288906 607391141 /nfs/dbraw/zinc/39/11/41/607391141.db2.gz BLDGXOSYQKKFDL-UHFFFAOYSA-N -1 3 352.373 3.125 20 0 FGADHM Cc1ccc(F)c(NC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)c1 ZINC000826288906 607391142 /nfs/dbraw/zinc/39/11/42/607391142.db2.gz BLDGXOSYQKKFDL-UHFFFAOYSA-N -1 3 352.373 3.125 20 0 FGADHM CC(C)c1ccc(C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)cn1 ZINC000820187899 607393473 /nfs/dbraw/zinc/39/34/73/607393473.db2.gz YCVPPPVNTRZJKC-UHFFFAOYSA-N -1 3 353.430 3.194 20 0 FGADHM CC(C)c1ccc(C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)cn1 ZINC000820187899 607393475 /nfs/dbraw/zinc/39/34/75/607393475.db2.gz YCVPPPVNTRZJKC-UHFFFAOYSA-N -1 3 353.430 3.194 20 0 FGADHM CC(C)Oc1ccc(NC(=O)c2scnc2Cl)cc1-c1nnn[n-]1 ZINC000820174651 607394782 /nfs/dbraw/zinc/39/47/82/607394782.db2.gz VCWPYKLQQKUIIG-UHFFFAOYSA-N -1 3 364.818 3.016 20 0 FGADHM CC(C)Oc1ccc(NC(=O)c2scnc2Cl)cc1-c1nn[n-]n1 ZINC000820174651 607394783 /nfs/dbraw/zinc/39/47/83/607394783.db2.gz VCWPYKLQQKUIIG-UHFFFAOYSA-N -1 3 364.818 3.016 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@@H]1C[C@H]1c1sccc1C ZINC000825608706 607398965 /nfs/dbraw/zinc/39/89/65/607398965.db2.gz CPZOITACCBPXNS-CHWSQXEVSA-N -1 3 370.434 3.344 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@@H]1C[C@H]1c1sccc1C ZINC000825608706 607398967 /nfs/dbraw/zinc/39/89/67/607398967.db2.gz CPZOITACCBPXNS-CHWSQXEVSA-N -1 3 370.434 3.344 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000826253215 607402761 /nfs/dbraw/zinc/40/27/61/607402761.db2.gz IJXYJNNLBBGPRB-UONOGXRCSA-N -1 3 370.359 3.300 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000826253215 607402763 /nfs/dbraw/zinc/40/27/63/607402763.db2.gz IJXYJNNLBBGPRB-UONOGXRCSA-N -1 3 370.359 3.300 20 0 FGADHM CC(C)Oc1ccc(NC(=O)CCc2ccsc2)cc1-c1nnn[n-]1 ZINC000820159898 607403403 /nfs/dbraw/zinc/40/34/03/607403403.db2.gz BGWVZTXIRPQQFA-UHFFFAOYSA-N -1 3 357.439 3.287 20 0 FGADHM CC(C)Oc1ccc(NC(=O)CCc2ccsc2)cc1-c1nn[n-]n1 ZINC000820159898 607403404 /nfs/dbraw/zinc/40/34/04/607403404.db2.gz BGWVZTXIRPQQFA-UHFFFAOYSA-N -1 3 357.439 3.287 20 0 FGADHM CCCCn1ncc(C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1C ZINC000821081886 607403692 /nfs/dbraw/zinc/40/36/92/607403692.db2.gz DDHPJRHFHJXVFB-CYBMUJFWSA-N -1 3 354.414 3.090 20 0 FGADHM CCCCn1ncc(C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000821081886 607403693 /nfs/dbraw/zinc/40/36/93/607403693.db2.gz DDHPJRHFHJXVFB-CYBMUJFWSA-N -1 3 354.414 3.090 20 0 FGADHM CC(C)Oc1ccc(NC(=O)C(F)(F)c2ccccc2)cc1-c1nnn[n-]1 ZINC000820159839 607406290 /nfs/dbraw/zinc/40/62/90/607406290.db2.gz AJTJUGQLKYSHRR-UHFFFAOYSA-N -1 3 373.363 3.384 20 0 FGADHM CC(C)Oc1ccc(NC(=O)C(F)(F)c2ccccc2)cc1-c1nn[n-]n1 ZINC000820159839 607406292 /nfs/dbraw/zinc/40/62/92/607406292.db2.gz AJTJUGQLKYSHRR-UHFFFAOYSA-N -1 3 373.363 3.384 20 0 FGADHM CCOC(=O)N[C@H]1CCCN(Cc2c3ccccc3sc2C(=O)[O-])C1 ZINC000737147198 599937625 /nfs/dbraw/zinc/93/76/25/599937625.db2.gz UJOKHPQFMXVUSA-LBPRGKRZSA-N -1 3 362.451 3.310 20 0 FGADHM CC[C@@H](NC(=O)CN(C[C@H](C)C(=O)[O-])C1CC1)c1ccc(Cl)cc1 ZINC000736910853 599948774 /nfs/dbraw/zinc/94/87/74/599948774.db2.gz OOPHXAZAALSXCN-BLLLJJGKSA-N -1 3 352.862 3.092 20 0 FGADHM Cc1ccc(NC(=O)NC[C@@H]2CCCN(Cc3occc3C(=O)[O-])C2)cc1 ZINC000738624405 599956158 /nfs/dbraw/zinc/95/61/58/599956158.db2.gz HRYDQDWXICFEFV-HNNXBMFYSA-N -1 3 371.437 3.320 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)CCSc1ccccc1 ZINC000821741498 607408961 /nfs/dbraw/zinc/40/89/61/607408961.db2.gz MOFDZIJDZCYUNB-UHFFFAOYSA-N -1 3 370.434 3.101 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)CCSc1ccccc1 ZINC000821741498 607408963 /nfs/dbraw/zinc/40/89/63/607408963.db2.gz MOFDZIJDZCYUNB-UHFFFAOYSA-N -1 3 370.434 3.101 20 0 FGADHM C[C@H](C(=O)Nc1cccc(CSCC(=O)[O-])c1)N1[C@H](C)CC[C@H]1C ZINC000736760749 599991508 /nfs/dbraw/zinc/99/15/08/599991508.db2.gz DSEIURSLSLYOIC-MGPQQGTHSA-N -1 3 350.484 3.204 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)CCc1cccc(Cl)c1 ZINC000821741188 607411652 /nfs/dbraw/zinc/41/16/52/607411652.db2.gz IDJIVQTUZBJEIQ-UHFFFAOYSA-N -1 3 372.812 3.205 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)CCc1cccc(Cl)c1 ZINC000821741188 607411653 /nfs/dbraw/zinc/41/16/53/607411653.db2.gz IDJIVQTUZBJEIQ-UHFFFAOYSA-N -1 3 372.812 3.205 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)c1sccc1C1CC1 ZINC000821749614 607415757 /nfs/dbraw/zinc/41/57/57/607415757.db2.gz USSXUYJEBBMNML-UHFFFAOYSA-N -1 3 356.407 3.171 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)c1sccc1C1CC1 ZINC000821749614 607415758 /nfs/dbraw/zinc/41/57/58/607415758.db2.gz USSXUYJEBBMNML-UHFFFAOYSA-N -1 3 356.407 3.171 20 0 FGADHM CCN1C[C@H](CN(C)Cc2ccc(F)cc2C(=O)[O-])Oc2ccccc21 ZINC000737112176 600082404 /nfs/dbraw/zinc/08/24/04/600082404.db2.gz IGKRERBHFZAQHF-INIZCTEOSA-N -1 3 358.413 3.243 20 0 FGADHM O=C([O-])c1cc(F)ccc1CN1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000740080111 600083416 /nfs/dbraw/zinc/08/34/16/600083416.db2.gz WLQAIIPVOUTXGD-UHFFFAOYSA-N -1 3 372.396 3.080 20 0 FGADHM C[C@H](NC(=O)OC(C)(C)C)C1CCN(Cc2occc2C(=O)[O-])CC1 ZINC000736649938 600092748 /nfs/dbraw/zinc/09/27/48/600092748.db2.gz KPZJNXWTQUFTGC-LBPRGKRZSA-N -1 3 352.431 3.103 20 0 FGADHM Cc1ccc2c(CC(=O)NC3(c4cccc(-c5nnn[n-]5)c4)CC3)c[nH]c2c1 ZINC000826293319 607422485 /nfs/dbraw/zinc/42/24/85/607422485.db2.gz KXNDPWAUQCCAFQ-UHFFFAOYSA-N -1 3 372.432 3.004 20 0 FGADHM Cc1ccc2c(CC(=O)NC3(c4cccc(-c5nn[n-]n5)c4)CC3)c[nH]c2c1 ZINC000826293319 607422487 /nfs/dbraw/zinc/42/24/87/607422487.db2.gz KXNDPWAUQCCAFQ-UHFFFAOYSA-N -1 3 372.432 3.004 20 0 FGADHM O=C(NCC1(Cc2ccccc2)CC1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000823170947 607423531 /nfs/dbraw/zinc/42/35/31/607423531.db2.gz MPNJHHZUQHCMQQ-UHFFFAOYSA-N -1 3 366.400 3.150 20 0 FGADHM O=C(NCC1(Cc2ccccc2)CC1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000823170947 607423533 /nfs/dbraw/zinc/42/35/33/607423533.db2.gz MPNJHHZUQHCMQQ-UHFFFAOYSA-N -1 3 366.400 3.150 20 0 FGADHM O=C(NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1csc2c1CCCC2 ZINC000826428526 607423546 /nfs/dbraw/zinc/42/35/46/607423546.db2.gz DRDDBQRFACOGHT-UHFFFAOYSA-N -1 3 365.462 3.226 20 0 FGADHM O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1csc2c1CCCC2 ZINC000826428526 607423547 /nfs/dbraw/zinc/42/35/47/607423547.db2.gz DRDDBQRFACOGHT-UHFFFAOYSA-N -1 3 365.462 3.226 20 0 FGADHM C[C@H](C(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1ccc(Cl)s1 ZINC000824040665 607423584 /nfs/dbraw/zinc/42/35/84/607423584.db2.gz SKCKSALSAYHWQL-JTQLQIEISA-N -1 3 373.869 3.491 20 0 FGADHM C[C@H](C(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1ccc(Cl)s1 ZINC000824040665 607423586 /nfs/dbraw/zinc/42/35/86/607423586.db2.gz SKCKSALSAYHWQL-JTQLQIEISA-N -1 3 373.869 3.491 20 0 FGADHM Cc1ccc(Cl)c(O[C@H](C)C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826288392 607436231 /nfs/dbraw/zinc/43/62/31/607436231.db2.gz FKKMRTFCSHSWHU-GFCCVEGCSA-N -1 3 371.828 3.259 20 0 FGADHM Cc1ccc(Cl)c(O[C@H](C)C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826288392 607436233 /nfs/dbraw/zinc/43/62/33/607436233.db2.gz FKKMRTFCSHSWHU-GFCCVEGCSA-N -1 3 371.828 3.259 20 0 FGADHM CC(C)Oc1ccc(NC(=O)NCc2ccc(F)cc2)cc1-c1nnn[n-]1 ZINC000820170103 607433174 /nfs/dbraw/zinc/43/31/74/607433174.db2.gz PZPATVNUGFLCHP-UHFFFAOYSA-N -1 3 370.388 3.115 20 0 FGADHM CC(C)Oc1ccc(NC(=O)NCc2ccc(F)cc2)cc1-c1nn[n-]n1 ZINC000820170103 607433175 /nfs/dbraw/zinc/43/31/75/607433175.db2.gz PZPATVNUGFLCHP-UHFFFAOYSA-N -1 3 370.388 3.115 20 0 FGADHM CN(C(=O)[C@H]1C[C@@]12CCCc1ccccc12)c1ccc(-c2nnn[n-]2)cc1 ZINC000825812294 607433612 /nfs/dbraw/zinc/43/36/12/607433612.db2.gz JTNSRSBCSISVOC-WIYYLYMNSA-N -1 3 359.433 3.124 20 0 FGADHM CN(C(=O)[C@H]1C[C@@]12CCCc1ccccc12)c1ccc(-c2nn[n-]n2)cc1 ZINC000825812294 607433614 /nfs/dbraw/zinc/43/36/14/607433614.db2.gz JTNSRSBCSISVOC-WIYYLYMNSA-N -1 3 359.433 3.124 20 0 FGADHM COc1ccc(CCC(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)cc1Cl ZINC000826191362 607437338 /nfs/dbraw/zinc/43/73/38/607437338.db2.gz DQSSOINBVCHGKR-UHFFFAOYSA-N -1 3 371.828 3.124 20 0 FGADHM COc1ccc(CCC(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC000826191362 607437339 /nfs/dbraw/zinc/43/73/39/607437339.db2.gz DQSSOINBVCHGKR-UHFFFAOYSA-N -1 3 371.828 3.124 20 0 FGADHM CN(C(=O)COc1cccc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000825820472 607440339 /nfs/dbraw/zinc/44/03/39/607440339.db2.gz HCEMYXVOMUUYFL-UHFFFAOYSA-N -1 3 359.389 3.062 20 0 FGADHM CN(C(=O)COc1cccc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000825820472 607440341 /nfs/dbraw/zinc/44/03/41/607440341.db2.gz HCEMYXVOMUUYFL-UHFFFAOYSA-N -1 3 359.389 3.062 20 0 FGADHM CSc1ccc(O[C@H](C)C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826230596 607440757 /nfs/dbraw/zinc/44/07/57/607440757.db2.gz ASFHXOPCFYJEQK-GFCCVEGCSA-N -1 3 369.450 3.019 20 0 FGADHM CSc1ccc(O[C@H](C)C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826230596 607440758 /nfs/dbraw/zinc/44/07/58/607440758.db2.gz ASFHXOPCFYJEQK-GFCCVEGCSA-N -1 3 369.450 3.019 20 0 FGADHM O=C([O-])[C@H](c1cccc(Cl)c1)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000739381433 600398642 /nfs/dbraw/zinc/39/86/42/600398642.db2.gz NLPIQCIZSOWGMM-SFHVURJKSA-N -1 3 372.852 3.360 20 0 FGADHM O=C([O-])c1ccc(NC(=O)NCCCN2CCc3ccccc3C2)c(F)c1 ZINC000739416438 600402372 /nfs/dbraw/zinc/40/23/72/600402372.db2.gz FDQGFBRTLDPLIX-UHFFFAOYSA-N -1 3 371.412 3.094 20 0 FGADHM Cc1nc2ccccc2cc1C(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826328842 607447551 /nfs/dbraw/zinc/44/75/51/607447551.db2.gz GNJWJZUOEBROAD-UHFFFAOYSA-N -1 3 370.416 3.142 20 0 FGADHM Cc1nc2ccccc2cc1C(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826328842 607447553 /nfs/dbraw/zinc/44/75/53/607447553.db2.gz GNJWJZUOEBROAD-UHFFFAOYSA-N -1 3 370.416 3.142 20 0 FGADHM Cc1cc(C)cc([C@H](C)N[C@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)c1 ZINC000738364328 600524203 /nfs/dbraw/zinc/52/42/03/600524203.db2.gz SIAXYUJNZBJPEN-JKSUJKDBSA-N -1 3 354.450 3.357 20 0 FGADHM Cc1cc(C)n(-c2ccc(C(=O)OCc3ccc(-c4nnn[n-]4)cc3)cc2)n1 ZINC000822197764 607451441 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CN(C)Cc1cccc(C(=O)Nc2ccc3c(c2)CN(C(=O)[O-])CC3)c1 ZINC000739610617 603102698 /nfs/dbraw/zinc/10/26/98/603102698.db2.gz XOBHLRGKEFEZRZ-UHFFFAOYSA-N -1 3 353.422 3.037 20 0 FGADHM COc1ccc(-c2nc(CN[C@H]3CCC[C@@H]3CNC(=O)[O-])cs2)cc1 ZINC000829243234 603168114 /nfs/dbraw/zinc/16/81/14/603168114.db2.gz MNCRXKCJGUGFRZ-CJNGLKHVSA-N -1 3 361.467 3.345 20 0 FGADHM Cc1ccc(C)c(N(C(C)C)S(=O)(=O)c2ccccc2-c2nnn[n-]2)c1 ZINC000826284871 607611553 /nfs/dbraw/zinc/61/15/53/607611553.db2.gz IQXHABDQFXQTJX-UHFFFAOYSA-N -1 3 371.466 3.087 20 0 FGADHM Cc1ccc(C)c(N(C(C)C)S(=O)(=O)c2ccccc2-c2nn[n-]n2)c1 ZINC000826284871 607611554 /nfs/dbraw/zinc/61/15/54/607611554.db2.gz IQXHABDQFXQTJX-UHFFFAOYSA-N -1 3 371.466 3.087 20 0 FGADHM COc1ccc(CNC(=O)Nc2cccc(C(F)F)c2)cc1-c1nnn[n-]1 ZINC000826200520 607618815 /nfs/dbraw/zinc/61/88/15/607618815.db2.gz UNTFJJLQDKLTCM-UHFFFAOYSA-N -1 3 374.351 3.135 20 0 FGADHM COc1ccc(CNC(=O)Nc2cccc(C(F)F)c2)cc1-c1nn[n-]n1 ZINC000826200520 607618816 /nfs/dbraw/zinc/61/88/16/607618816.db2.gz UNTFJJLQDKLTCM-UHFFFAOYSA-N -1 3 374.351 3.135 20 0 FGADHM O=C([O-])N[C@@H](Cc1ccccc1)[C@@H](O)CN1CCC[C@H]1c1cccc(F)c1 ZINC000832758182 603399587 /nfs/dbraw/zinc/39/95/87/603399587.db2.gz ZAWGETAUBPBOBX-UFYCRDLUSA-N -1 3 372.440 3.202 20 0 FGADHM O=C([O-])N[C@@H](Cc1ccccc1)[C@@H](O)CN1CCC[C@@H]1c1cccc(F)c1 ZINC000832758184 603399691 /nfs/dbraw/zinc/39/96/91/603399691.db2.gz ZAWGETAUBPBOBX-ZCNNSNEGSA-N -1 3 372.440 3.202 20 0 FGADHM CCN(CC(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1)c1cc(C)ccc1C ZINC000825399581 607642031 /nfs/dbraw/zinc/64/20/31/607642031.db2.gz YJSHOAWXPBLUFE-UHFFFAOYSA-N -1 3 368.441 3.158 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@@H]1CCSc2c(F)cccc21 ZINC000826247727 607653076 /nfs/dbraw/zinc/65/30/76/607653076.db2.gz MFALYXCBRGFQOQ-OAHLLOKOSA-N -1 3 369.425 3.281 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@@H]1CCSc2c(F)cccc21 ZINC000826247727 607653078 /nfs/dbraw/zinc/65/30/78/607653078.db2.gz MFALYXCBRGFQOQ-OAHLLOKOSA-N -1 3 369.425 3.281 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000826246430 607654931 /nfs/dbraw/zinc/65/49/31/607654931.db2.gz CZVJBEHFHXKBBR-NEPJUHHUSA-N -1 3 353.348 3.026 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000826246430 607654935 /nfs/dbraw/zinc/65/49/35/607654935.db2.gz CZVJBEHFHXKBBR-NEPJUHHUSA-N -1 3 353.348 3.026 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1-c1nc(Cc2cccc(Cl)c2)no1 ZINC000826243501 607660351 /nfs/dbraw/zinc/66/03/51/607660351.db2.gz KNKWROBKDKQXJR-UHFFFAOYSA-N -1 3 352.785 3.469 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1-c1nc(Cc2cccc(Cl)c2)no1 ZINC000826243501 607660353 /nfs/dbraw/zinc/66/03/53/607660353.db2.gz KNKWROBKDKQXJR-UHFFFAOYSA-N -1 3 352.785 3.469 20 0 FGADHM CN(C)C[C@H](NC(=O)Nc1cccc2c1CCN2C(=O)[O-])c1ccccc1 ZINC000828017800 603994120 /nfs/dbraw/zinc/99/41/20/603994120.db2.gz WOKZCGUXPIZIRG-KRWDZBQOSA-N -1 3 368.437 3.152 20 0 FGADHM C[C@H]1C[C@H](NC(=O)c2ccc(NC(=O)[O-])cc2)CN1Cc1ccccc1 ZINC000825853361 604006015 /nfs/dbraw/zinc/00/60/15/604006015.db2.gz XHJDSALCWIVUPH-KSSFIOAISA-N -1 3 353.422 3.169 20 0 FGADHM Cc1ccc(CN(C)C)cc1NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)[O-] ZINC000830307790 604083958 /nfs/dbraw/zinc/08/39/58/604083958.db2.gz FNQOGOCEUCHNAS-JQHSSLGASA-N -1 3 359.470 3.306 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccc2nc(N(C)C)ccc2c1 ZINC000826250284 607671766 /nfs/dbraw/zinc/67/17/66/607671766.db2.gz TWLYIHUUGASRPI-UHFFFAOYSA-N -1 3 373.420 3.042 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccc2nc(N(C)C)ccc2c1 ZINC000826250284 607671768 /nfs/dbraw/zinc/67/17/68/607671768.db2.gz TWLYIHUUGASRPI-UHFFFAOYSA-N -1 3 373.420 3.042 20 0 FGADHM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1ccc(-c2ccccc2)cc1 ZINC000824513994 607684136 /nfs/dbraw/zinc/68/41/36/607684136.db2.gz LGUQACSJTMWSJX-CYBMUJFWSA-N -1 3 358.405 3.353 20 0 FGADHM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1ccc(-c2ccccc2)cc1 ZINC000824513994 607684139 /nfs/dbraw/zinc/68/41/39/607684139.db2.gz LGUQACSJTMWSJX-CYBMUJFWSA-N -1 3 358.405 3.353 20 0 FGADHM O=[S@@](Cc1ccc(-c2nnn[n-]2)cc1)[C@@H]1CCc2c1cccc2Cl ZINC000826496469 607689803 /nfs/dbraw/zinc/68/98/03/607689803.db2.gz XEXBMZXHQODCGT-GYCJOSAFSA-N -1 3 358.854 3.456 20 0 FGADHM O=[S@@](Cc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCc2c1cccc2Cl ZINC000826496469 607689805 /nfs/dbraw/zinc/68/98/05/607689805.db2.gz XEXBMZXHQODCGT-GYCJOSAFSA-N -1 3 358.854 3.456 20 0 FGADHM CN(Cc1nc2cc(C(F)(F)F)ccc2c(=O)[nH]1)C1(C(=O)[O-])CCCC1 ZINC000830874514 604455086 /nfs/dbraw/zinc/45/50/86/604455086.db2.gz CYOXKTKNJOWVDE-UHFFFAOYSA-N -1 3 369.343 3.183 20 0 FGADHM C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)Nc2cc(C(=O)[O-])cs2)C1 ZINC000827949323 604487470 /nfs/dbraw/zinc/48/74/70/604487470.db2.gz KPKINPMLUYMRJB-WFASDCNBSA-N -1 3 359.451 3.403 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NC(C)(C)c1ccc(F)c(F)c1 ZINC000826246255 607701775 /nfs/dbraw/zinc/70/17/75/607701775.db2.gz YAOLPFMVFRSQJE-UHFFFAOYSA-N -1 3 357.364 3.118 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NC(C)(C)c1ccc(F)c(F)c1 ZINC000826246255 607701777 /nfs/dbraw/zinc/70/17/77/607701777.db2.gz YAOLPFMVFRSQJE-UHFFFAOYSA-N -1 3 357.364 3.118 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NC[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000826247406 607702171 /nfs/dbraw/zinc/70/21/71/607702171.db2.gz BTRNISSAYJPYBR-WCQYABFASA-N -1 3 367.375 3.274 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NC[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000826247406 607702173 /nfs/dbraw/zinc/70/21/73/607702173.db2.gz BTRNISSAYJPYBR-WCQYABFASA-N -1 3 367.375 3.274 20 0 FGADHM O=C([O-])[C@H]1CC12CCN(Cc1cnn(Cc3ccccc3Cl)c1)CC2 ZINC000833772015 604648334 /nfs/dbraw/zinc/64/83/34/604648334.db2.gz WXGFSWBKUIPRNU-MRXNPFEDSA-N -1 3 359.857 3.272 20 0 FGADHM Cc1nn(C)c(Oc2ccccc2)c1CN1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000833756318 604650072 /nfs/dbraw/zinc/65/00/72/604650072.db2.gz IVIMNNZASVZNAU-KRWDZBQOSA-N -1 3 355.438 3.208 20 0 FGADHM CCSc1ccc(CC(=O)N(C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825674896 607706856 /nfs/dbraw/zinc/70/68/56/607706856.db2.gz UJTBFDURGSAZHF-UHFFFAOYSA-N -1 3 353.451 3.184 20 0 FGADHM CCSc1ccc(CC(=O)N(C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825674896 607706857 /nfs/dbraw/zinc/70/68/57/607706857.db2.gz UJTBFDURGSAZHF-UHFFFAOYSA-N -1 3 353.451 3.184 20 0 FGADHM COc1ccccc1[C@H](CN[C@H](C)c1ccc2c(c1)OCO2)NC(=O)[O-] ZINC000829597049 604759904 /nfs/dbraw/zinc/75/99/04/604759904.db2.gz DTICRJMGFUZYLQ-DOMZBBRYSA-N -1 3 358.394 3.083 20 0 FGADHM C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)Cc1cccc(C(=O)[O-])c1 ZINC000833615413 604770258 /nfs/dbraw/zinc/77/02/58/604770258.db2.gz CRHIUVVNFPNLKT-QGZVFWFLSA-N -1 3 366.461 3.050 20 0 FGADHM C[C@@H]1C[C@@H](NC(=O)CCc2ccccc2C(=O)[O-])CN1Cc1ccccc1 ZINC000833596402 604783050 /nfs/dbraw/zinc/78/30/50/604783050.db2.gz KJGAEDSTQXONNM-VQIMIIECSA-N -1 3 366.461 3.097 20 0 FGADHM COc1cc(N[C@H]2CCCN(Cc3ccoc3C(=O)[O-])C2)cc(OC)c1 ZINC000832025687 604799068 /nfs/dbraw/zinc/79/90/68/604799068.db2.gz BGMQWPLHJXWNAL-AWEZNQCLSA-N -1 3 360.410 3.072 20 0 FGADHM C[C@@H](C(=O)Nc1ccc(Cl)cc1)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000833409948 604934114 /nfs/dbraw/zinc/93/41/14/604934114.db2.gz UDCCBCVDLIYTJE-QWHCGFSZSA-N -1 3 352.862 3.490 20 0 FGADHM C[C@H](c1ccncc1)N1CCC(NC(=O)c2ccc(NC(=O)[O-])cc2)CC1 ZINC000833551724 604940988 /nfs/dbraw/zinc/94/09/88/604940988.db2.gz VEJFCNNGNMJCRR-CQSZACIVSA-N -1 3 368.437 3.127 20 0 FGADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(CC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000833420895 604950940 /nfs/dbraw/zinc/95/09/40/604950940.db2.gz BLZGPAHQQVOXEA-CYBMUJFWSA-N -1 3 372.387 3.467 20 0 FGADHM CCSc1ccc(CC(=O)OCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000825674911 607728444 /nfs/dbraw/zinc/72/84/44/607728444.db2.gz USWMHOMTLCAETN-UHFFFAOYSA-N -1 3 372.425 3.404 20 0 FGADHM CCSc1ccc(CC(=O)OCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000825674911 607728446 /nfs/dbraw/zinc/72/84/46/607728446.db2.gz USWMHOMTLCAETN-UHFFFAOYSA-N -1 3 372.425 3.404 20 0 FGADHM CC(C)N(CCN(C)C)C(=O)Nc1cccc(SCCC(=O)[O-])c1 ZINC000833497675 605097417 /nfs/dbraw/zinc/09/74/17/605097417.db2.gz LVUHIACRMHVTAJ-UHFFFAOYSA-N -1 3 353.488 3.057 20 0 FGADHM O=C(c1ccc(-c2nnn[n-]2)[nH]1)N(Cc1ccco1)c1ccc(Cl)cc1 ZINC000826471257 607735298 /nfs/dbraw/zinc/73/52/98/607735298.db2.gz STUOEJIRJBOFHX-UHFFFAOYSA-N -1 3 368.784 3.288 20 0 FGADHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N(Cc1ccco1)c1ccc(Cl)cc1 ZINC000826471257 607735299 /nfs/dbraw/zinc/73/52/99/607735299.db2.gz STUOEJIRJBOFHX-UHFFFAOYSA-N -1 3 368.784 3.288 20 0 FGADHM CC(C)C[C@@H](NCC(=O)N1CCC(C(=O)[O-])CC1)c1ccc(Cl)cc1 ZINC000833483349 605145380 /nfs/dbraw/zinc/14/53/80/605145380.db2.gz IXWLCHIWCDEHCH-QGZVFWFLSA-N -1 3 366.889 3.340 20 0 FGADHM CC(C)(C(=O)[O-])[C@@H](NCC(=O)Nc1ccc(Cl)cn1)c1ccccc1 ZINC000833415801 605185471 /nfs/dbraw/zinc/18/54/71/605185471.db2.gz XRSBVDGECYTPIT-INIZCTEOSA-N -1 3 361.829 3.115 20 0 FGADHM C[C@H]1CN(Cc2ccc(OC(F)F)c(Br)c2)C[C@H]1C(=O)[O-] ZINC000833630884 605247612 /nfs/dbraw/zinc/24/76/12/605247612.db2.gz YIOBFCLRGGTTHE-WCBMZHEXSA-N -1 3 364.186 3.203 20 0 FGADHM Cc1c(COc2ccccc2)cccc1NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826236237 607746725 /nfs/dbraw/zinc/74/67/25/607746725.db2.gz DLBSOQZSOISWCZ-UHFFFAOYSA-N -1 3 374.404 3.335 20 0 FGADHM Cc1c(COc2ccccc2)cccc1NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826236237 607746726 /nfs/dbraw/zinc/74/67/26/607746726.db2.gz DLBSOQZSOISWCZ-UHFFFAOYSA-N -1 3 374.404 3.335 20 0 FGADHM CC1=C(C(=O)[O-])C[C@@H](CN2CCC(C(=O)c3ccc(C)cc3C)CC2)O1 ZINC000833582169 605319719 /nfs/dbraw/zinc/31/97/19/605319719.db2.gz DJBKRUXAOZZZPV-KRWDZBQOSA-N -1 3 357.450 3.346 20 0 FGADHM CC1=C(C(=O)[O-])C[C@H](CN(C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)O1 ZINC000833578665 605323153 /nfs/dbraw/zinc/32/31/53/605323153.db2.gz VSFQDOZVGYBEIA-GTTSAUCSSA-N -1 3 372.248 3.031 20 0 FGADHM C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@@H](CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000833605058 605412098 /nfs/dbraw/zinc/41/20/98/605412098.db2.gz WOZLAFPBDJWUFJ-JMSVASOKSA-N -1 3 372.387 3.210 20 0 FGADHM CCc1oc(C(=O)[O-])cc1CN1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000833678900 605475645 /nfs/dbraw/zinc/47/56/45/605475645.db2.gz REZSYUPJKYWGEI-OLZOCXBDSA-N -1 3 366.458 3.275 20 0 FGADHM CCCN(CC(=O)Nc1ccc(C)cc1Cl)C1CCN(C(=O)[O-])CC1 ZINC000826904066 605483379 /nfs/dbraw/zinc/48/33/79/605483379.db2.gz OMNQFHHWEJCQNC-UHFFFAOYSA-N -1 3 367.877 3.441 20 0 FGADHM C[C@@H](C[C@@H]1CCCCCN1C(=O)[O-])NCc1nccn1CC(F)(F)F ZINC000824759124 605496080 /nfs/dbraw/zinc/49/60/80/605496080.db2.gz IJFINKXBWFRPCW-STQMWFEESA-N -1 3 362.396 3.236 20 0 FGADHM O=C(Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)c1cccc(F)c1 ZINC000826459581 607769878 /nfs/dbraw/zinc/76/98/78/607769878.db2.gz PQNZIOJKVGNBSR-UHFFFAOYSA-N -1 3 366.381 3.382 20 0 FGADHM O=C(Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)c1cccc(F)c1 ZINC000826459581 607769879 /nfs/dbraw/zinc/76/98/79/607769879.db2.gz PQNZIOJKVGNBSR-UHFFFAOYSA-N -1 3 366.381 3.382 20 0 FGADHM Cc1cc(C(=O)NC[C@@H](C)N(C)Cc2ccccc2)ccc1NC(=O)[O-] ZINC000829947605 605686705 /nfs/dbraw/zinc/68/67/05/605686705.db2.gz YFJZDFQZZZNVOE-OAHLLOKOSA-N -1 3 355.438 3.335 20 0 FGADHM Cc1cc(C(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)ccc1NC(=O)[O-] ZINC000829914816 605713757 /nfs/dbraw/zinc/71/37/57/605713757.db2.gz YEVMXKKWBGPSAZ-SFHVURJKSA-N -1 3 367.449 3.431 20 0 FGADHM O=C([O-])N1CCC[C@H](CN2C[C@H](O)C[C@H]2c2cccc(C(F)(F)F)c2)C1 ZINC000834100632 605880081 /nfs/dbraw/zinc/88/00/81/605880081.db2.gz UHFBKLUAFWPJPG-MAZHCROVSA-N -1 3 372.387 3.203 20 0 FGADHM Cc1ccc(NC(=O)[O-])cc1NC(=O)NCCN(C)Cc1ccccc1 ZINC000833906380 606011803 /nfs/dbraw/zinc/01/18/03/606011803.db2.gz CBJWRYUHHWFZBA-UHFFFAOYSA-N -1 3 356.426 3.338 20 0 FGADHM CCO[C@@H](CCNC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C(C)C ZINC000821352142 606057837 /nfs/dbraw/zinc/05/78/37/606057837.db2.gz XTVSGEXIAIJSLM-AWEZNQCLSA-N -1 3 366.853 3.093 20 0 FGADHM CCO[C@@H](CCNC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C(C)C ZINC000821352142 606057843 /nfs/dbraw/zinc/05/78/43/606057843.db2.gz XTVSGEXIAIJSLM-AWEZNQCLSA-N -1 3 366.853 3.093 20 0 FGADHM Fc1ccc2c(C3CCN(c4ccc(-c5nnn[n-]5)nc4)CC3)c[nH]c2c1 ZINC000822782887 606084168 /nfs/dbraw/zinc/08/41/68/606084168.db2.gz KTCBVKPWRPOBOA-UHFFFAOYSA-N -1 3 363.400 3.266 20 0 FGADHM Fc1ccc2c(C3CCN(c4ccc(-c5nn[n-]n5)nc4)CC3)c[nH]c2c1 ZINC000822782887 606084172 /nfs/dbraw/zinc/08/41/72/606084172.db2.gz KTCBVKPWRPOBOA-UHFFFAOYSA-N -1 3 363.400 3.266 20 0 FGADHM CCc1cnc(CN(C)c2nc3ccccc3cc2-c2nnn[n-]2)s1 ZINC000821496792 606098152 /nfs/dbraw/zinc/09/81/52/606098152.db2.gz JMLYOPZMBGOEFW-UHFFFAOYSA-N -1 3 351.439 3.070 20 0 FGADHM CCc1cnc(CN(C)c2nc3ccccc3cc2-c2nn[n-]n2)s1 ZINC000821496792 606098154 /nfs/dbraw/zinc/09/81/54/606098154.db2.gz JMLYOPZMBGOEFW-UHFFFAOYSA-N -1 3 351.439 3.070 20 0 FGADHM Cc1ccc(CCC(=O)N(CC(C)C)c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000822235111 606103606 /nfs/dbraw/zinc/10/36/06/606103606.db2.gz STUHZNJPDRXYRL-UHFFFAOYSA-N -1 3 353.426 3.390 20 0 FGADHM Cc1ccc(CCC(=O)N(CC(C)C)c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822235111 606103608 /nfs/dbraw/zinc/10/36/08/606103608.db2.gz STUHZNJPDRXYRL-UHFFFAOYSA-N -1 3 353.426 3.390 20 0 FGADHM Cc1cnc([C@@H](C)Nc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)s1 ZINC000822389031 606103733 /nfs/dbraw/zinc/10/37/33/606103733.db2.gz JEIBZRRMCQDNNQ-SSDOTTSWSA-N -1 3 355.349 3.219 20 0 FGADHM Cc1cnc([C@@H](C)Nc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)s1 ZINC000822389031 606103734 /nfs/dbraw/zinc/10/37/34/606103734.db2.gz JEIBZRRMCQDNNQ-SSDOTTSWSA-N -1 3 355.349 3.219 20 0 FGADHM COc1ccccc1[C@@H](CC(C)C)NC(=O)c1sccc1-c1nnn[n-]1 ZINC000821882703 606105095 /nfs/dbraw/zinc/10/50/95/606105095.db2.gz INSHCGXBJTZNFO-CQSZACIVSA-N -1 3 371.466 3.454 20 0 FGADHM COc1ccccc1[C@@H](CC(C)C)NC(=O)c1sccc1-c1nn[n-]n1 ZINC000821882703 606105097 /nfs/dbraw/zinc/10/50/97/606105097.db2.gz INSHCGXBJTZNFO-CQSZACIVSA-N -1 3 371.466 3.454 20 0 FGADHM COc1ccccc1[C@@H](CC(C)C)NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821882671 606105143 /nfs/dbraw/zinc/10/51/43/606105143.db2.gz HUVSJQDJCVSETJ-QGZVFWFLSA-N -1 3 365.437 3.393 20 0 FGADHM COc1ccccc1[C@@H](CC(C)C)NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821882671 606105144 /nfs/dbraw/zinc/10/51/44/606105144.db2.gz HUVSJQDJCVSETJ-QGZVFWFLSA-N -1 3 365.437 3.393 20 0 FGADHM COc1ccccc1[C@H]1CCCN1c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821891141 606124923 /nfs/dbraw/zinc/12/49/23/606124923.db2.gz WJWQSHYQELULHX-OAHLLOKOSA-N -1 3 357.364 3.495 20 0 FGADHM COc1ccccc1[C@H]1CCCN1c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821891141 606124925 /nfs/dbraw/zinc/12/49/25/606124925.db2.gz WJWQSHYQELULHX-OAHLLOKOSA-N -1 3 357.364 3.495 20 0 FGADHM CCS[C@H]1CCCC[C@@H]1NC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000821456321 606130690 /nfs/dbraw/zinc/13/06/90/606130690.db2.gz OZRGWEYCIUFMMN-HOTGVXAUSA-N -1 3 374.514 3.072 20 0 FGADHM CCS[C@H]1CCCC[C@@H]1NC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000821456321 606130691 /nfs/dbraw/zinc/13/06/91/606130691.db2.gz OZRGWEYCIUFMMN-HOTGVXAUSA-N -1 3 374.514 3.072 20 0 FGADHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1N1CCC[C@]2(CCCOC2)C1 ZINC000822718342 606142216 /nfs/dbraw/zinc/14/22/16/606142216.db2.gz IJOODEIYTICWJJ-INIZCTEOSA-N -1 3 367.375 3.283 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)OCCOc1ccc2ccccc2c1 ZINC000823111730 606144666 /nfs/dbraw/zinc/14/46/66/606144666.db2.gz MDJVJEYOCWLIJG-UHFFFAOYSA-N -1 3 374.400 3.185 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)OCCOc1ccc2ccccc2c1 ZINC000823111730 606144668 /nfs/dbraw/zinc/14/46/68/606144668.db2.gz MDJVJEYOCWLIJG-UHFFFAOYSA-N -1 3 374.400 3.185 20 0 FGADHM O=C(C/C=C/c1ccc(F)cc1)OCCOc1ccccc1-c1nnn[n-]1 ZINC000822945688 606148028 /nfs/dbraw/zinc/14/80/28/606148028.db2.gz NTQHGRPUNCHVDH-ONEGZZNKSA-N -1 3 368.368 3.031 20 0 FGADHM O=C(C/C=C/c1ccc(F)cc1)OCCOc1ccccc1-c1nn[n-]n1 ZINC000822945688 606148030 /nfs/dbraw/zinc/14/80/30/606148030.db2.gz NTQHGRPUNCHVDH-ONEGZZNKSA-N -1 3 368.368 3.031 20 0 FGADHM COc1ccc([C@@H](C)CC(=O)OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821778048 606150676 /nfs/dbraw/zinc/15/06/76/606150676.db2.gz SMGNSTPPYCRDAH-ZDUSSCGKSA-N -1 3 352.394 3.112 20 0 FGADHM COc1ccc([C@@H](C)CC(=O)OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821778048 606150679 /nfs/dbraw/zinc/15/06/79/606150679.db2.gz SMGNSTPPYCRDAH-ZDUSSCGKSA-N -1 3 352.394 3.112 20 0 FGADHM Cc1ncoc1C(=O)Nc1sc(-c2ccccc2)cc1-c1nnn[n-]1 ZINC000822482278 606175506 /nfs/dbraw/zinc/17/55/06/606175506.db2.gz OKQMEHXZVOVOTI-UHFFFAOYSA-N -1 3 352.379 3.144 20 0 FGADHM Cc1ncoc1C(=O)Nc1sc(-c2ccccc2)cc1-c1nn[n-]n1 ZINC000822482278 606175507 /nfs/dbraw/zinc/17/55/07/606175507.db2.gz OKQMEHXZVOVOTI-UHFFFAOYSA-N -1 3 352.379 3.144 20 0 FGADHM CCc1c(C)sc(NC(=O)c2ncccc2OC(C)C)c1-c1nnn[n-]1 ZINC000821465397 606184178 /nfs/dbraw/zinc/18/41/78/606184178.db2.gz GGQTYYBXZSHTJR-UHFFFAOYSA-N -1 3 372.454 3.234 20 0 FGADHM CCc1c(C)sc(NC(=O)c2ncccc2OC(C)C)c1-c1nn[n-]n1 ZINC000821465397 606184179 /nfs/dbraw/zinc/18/41/79/606184179.db2.gz GGQTYYBXZSHTJR-UHFFFAOYSA-N -1 3 372.454 3.234 20 0 FGADHM C[C@@H]1CSc2ccccc2N1C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000820813863 606189688 /nfs/dbraw/zinc/18/96/88/606189688.db2.gz OKJVMWNPDYDYPP-CYBMUJFWSA-N -1 3 365.462 3.327 20 0 FGADHM C[C@@H]1CSc2ccccc2N1C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000820813863 606189690 /nfs/dbraw/zinc/18/96/90/606189690.db2.gz OKJVMWNPDYDYPP-CYBMUJFWSA-N -1 3 365.462 3.327 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1ccc2nc(C3CC3)oc2c1 ZINC000823109076 606190588 /nfs/dbraw/zinc/19/05/88/606190588.db2.gz XLZSJIOSNHUKAO-UHFFFAOYSA-N -1 3 360.377 3.067 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1ccc2nc(C3CC3)oc2c1 ZINC000823109076 606190589 /nfs/dbraw/zinc/19/05/89/606190589.db2.gz XLZSJIOSNHUKAO-UHFFFAOYSA-N -1 3 360.377 3.067 20 0 FGADHM C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)c1sccc1-c1nnn[n-]1 ZINC000820728349 606191090 /nfs/dbraw/zinc/19/10/90/606191090.db2.gz VCVBFQBWFUJWOL-XPTSAGLGSA-N -1 3 357.414 3.121 20 0 FGADHM C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)c1sccc1-c1nn[n-]n1 ZINC000820728349 606191092 /nfs/dbraw/zinc/19/10/92/606191092.db2.gz VCVBFQBWFUJWOL-XPTSAGLGSA-N -1 3 357.414 3.121 20 0 FGADHM O=C(CCOCC1CC1)Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822974296 606208423 /nfs/dbraw/zinc/20/84/23/606208423.db2.gz GETOFXZAIIVEPG-UHFFFAOYSA-N -1 3 364.405 3.256 20 0 FGADHM O=C(CCOCC1CC1)Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822974296 606208425 /nfs/dbraw/zinc/20/84/25/606208425.db2.gz GETOFXZAIIVEPG-UHFFFAOYSA-N -1 3 364.405 3.256 20 0 FGADHM CCCCCN(Cc1ccc(F)cc1)C(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000821056841 606212830 /nfs/dbraw/zinc/21/28/30/606212830.db2.gz YVBZGRRRPUEBDT-UHFFFAOYSA-N -1 3 370.432 3.177 20 0 FGADHM CCCCCN(Cc1ccc(F)cc1)C(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000821056841 606212831 /nfs/dbraw/zinc/21/28/31/606212831.db2.gz YVBZGRRRPUEBDT-UHFFFAOYSA-N -1 3 370.432 3.177 20 0 FGADHM Cc1cc(-c2cccc(F)c2)nnc1NCc1ccc(-c2nnn[n-]2)cc1 ZINC000822129238 606221414 /nfs/dbraw/zinc/22/14/14/606221414.db2.gz JZRYJWRZXJWYMA-UHFFFAOYSA-N -1 3 361.384 3.383 20 0 FGADHM Cc1cc(-c2cccc(F)c2)nnc1NCc1ccc(-c2nn[n-]n2)cc1 ZINC000822129238 606221415 /nfs/dbraw/zinc/22/14/15/606221415.db2.gz JZRYJWRZXJWYMA-UHFFFAOYSA-N -1 3 361.384 3.383 20 0 FGADHM Cn1c(CCCNc2ccc(-c3nnn[n-]3)c(Cl)c2)nc2ccccc21 ZINC000822595779 606223439 /nfs/dbraw/zinc/22/34/39/606223439.db2.gz DNTXZCDXXDEMOB-UHFFFAOYSA-N -1 3 367.844 3.452 20 0 FGADHM Cn1c(CCCNc2ccc(-c3nn[n-]n3)c(Cl)c2)nc2ccccc21 ZINC000822595779 606223440 /nfs/dbraw/zinc/22/34/40/606223440.db2.gz DNTXZCDXXDEMOB-UHFFFAOYSA-N -1 3 367.844 3.452 20 0 FGADHM CCC(CC)[C@H](NC(=O)c1cc(-c2nnn[n-]2)cn1C)c1cccs1 ZINC000820892656 606233608 /nfs/dbraw/zinc/23/36/08/606233608.db2.gz DUTYIHJMIJLRLI-HNNXBMFYSA-N -1 3 358.471 3.174 20 0 FGADHM CCC(CC)[C@H](NC(=O)c1cc(-c2nn[n-]n2)cn1C)c1cccs1 ZINC000820892656 606233609 /nfs/dbraw/zinc/23/36/09/606233609.db2.gz DUTYIHJMIJLRLI-HNNXBMFYSA-N -1 3 358.471 3.174 20 0 FGADHM C[C@]1(CNc2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)CCCC[C@@H]1O ZINC000820618367 606242551 /nfs/dbraw/zinc/24/25/51/606242551.db2.gz AZPHPSXPKXEXEY-KBXCAEBGSA-N -1 3 374.395 3.046 20 0 FGADHM C[C@]1(CNc2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)CCCC[C@@H]1O ZINC000820618367 606242553 /nfs/dbraw/zinc/24/25/53/606242553.db2.gz AZPHPSXPKXEXEY-KBXCAEBGSA-N -1 3 374.395 3.046 20 0 FGADHM CC[C@H](c1ccccc1)N(CC(C)C)C(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000820937837 606253121 /nfs/dbraw/zinc/25/31/21/606253121.db2.gz DROWWNJIPXHOQY-QGZVFWFLSA-N -1 3 366.469 3.455 20 0 FGADHM CC[C@H](c1ccccc1)N(CC(C)C)C(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000820937837 606253122 /nfs/dbraw/zinc/25/31/22/606253122.db2.gz DROWWNJIPXHOQY-QGZVFWFLSA-N -1 3 366.469 3.455 20 0 FGADHM COc1cccc2cc(C(=O)Nc3ccc(F)cc3-c3nnn[n-]3)oc21 ZINC000821877404 606265284 /nfs/dbraw/zinc/26/52/84/606265284.db2.gz ISEINCKOZVECGJ-UHFFFAOYSA-N -1 3 353.313 3.013 20 0 FGADHM COc1cccc2cc(C(=O)Nc3ccc(F)cc3-c3nn[n-]n3)oc21 ZINC000821877404 606265286 /nfs/dbraw/zinc/26/52/86/606265286.db2.gz ISEINCKOZVECGJ-UHFFFAOYSA-N -1 3 353.313 3.013 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)c1nc(-c2ccccc2)cs1 ZINC000823345740 606265416 /nfs/dbraw/zinc/26/54/16/606265416.db2.gz DDVJWUPAAIGDRX-UHFFFAOYSA-N -1 3 366.381 3.382 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)c1nc(-c2ccccc2)cs1 ZINC000823345740 606265418 /nfs/dbraw/zinc/26/54/18/606265418.db2.gz DDVJWUPAAIGDRX-UHFFFAOYSA-N -1 3 366.381 3.382 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)c1csc(-c2ccccc2)n1 ZINC000823346485 606266520 /nfs/dbraw/zinc/26/65/20/606266520.db2.gz NYZOLBBWEDUPPT-UHFFFAOYSA-N -1 3 366.381 3.382 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)c1csc(-c2ccccc2)n1 ZINC000823346485 606266522 /nfs/dbraw/zinc/26/65/22/606266522.db2.gz NYZOLBBWEDUPPT-UHFFFAOYSA-N -1 3 366.381 3.382 20 0 FGADHM COc1ccccc1[C@H](C)CC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000821883215 606266883 /nfs/dbraw/zinc/26/68/83/606266883.db2.gz SKBSPXOBZAUSDN-LLVKDONJSA-N -1 3 355.373 3.147 20 0 FGADHM COc1ccccc1[C@H](C)CC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000821883215 606266885 /nfs/dbraw/zinc/26/68/85/606266885.db2.gz SKBSPXOBZAUSDN-LLVKDONJSA-N -1 3 355.373 3.147 20 0 FGADHM O=C(CCCc1c[nH]c2ccccc12)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000822959331 606268624 /nfs/dbraw/zinc/26/86/24/606268624.db2.gz YUULABDXWYQXPN-UHFFFAOYSA-N -1 3 364.384 3.449 20 0 FGADHM O=C(CCCc1c[nH]c2ccccc12)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000822959331 606268626 /nfs/dbraw/zinc/26/86/26/606268626.db2.gz YUULABDXWYQXPN-UHFFFAOYSA-N -1 3 364.384 3.449 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)c1ccccc1C(F)(F)F ZINC000823346046 606269276 /nfs/dbraw/zinc/26/92/76/606269276.db2.gz HFZINTZAWRUHQS-UHFFFAOYSA-N -1 3 351.263 3.277 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)c1ccccc1C(F)(F)F ZINC000823346046 606269278 /nfs/dbraw/zinc/26/92/78/606269278.db2.gz HFZINTZAWRUHQS-UHFFFAOYSA-N -1 3 351.263 3.277 20 0 FGADHM C[C@H](CCOc1ccccc1)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820248599 606273700 /nfs/dbraw/zinc/27/37/00/606273700.db2.gz KZDVDHXXGLXEBT-GFCCVEGCSA-N -1 3 355.373 3.050 20 0 FGADHM C[C@H](CCOc1ccccc1)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820248599 606273702 /nfs/dbraw/zinc/27/37/02/606273702.db2.gz KZDVDHXXGLXEBT-GFCCVEGCSA-N -1 3 355.373 3.050 20 0 FGADHM Cc1cc(OC(F)F)c(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)s1 ZINC000822210938 606273880 /nfs/dbraw/zinc/27/38/80/606273880.db2.gz XSRRPKKVXPFBHH-UHFFFAOYSA-N -1 3 369.328 3.229 20 0 FGADHM Cc1cc(OC(F)F)c(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)s1 ZINC000822210938 606273882 /nfs/dbraw/zinc/27/38/82/606273882.db2.gz XSRRPKKVXPFBHH-UHFFFAOYSA-N -1 3 369.328 3.229 20 0 FGADHM C[C@@H](c1ccc(Cl)cc1)N(C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC000820562988 606314831 /nfs/dbraw/zinc/31/48/31/606314831.db2.gz KYQSXPCSHOYHOV-JTQLQIEISA-N -1 3 356.817 3.214 20 0 FGADHM C[C@@H](c1ccc(Cl)cc1)N(C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC000820562988 606314834 /nfs/dbraw/zinc/31/48/34/606314834.db2.gz KYQSXPCSHOYHOV-JTQLQIEISA-N -1 3 356.817 3.214 20 0 FGADHM CCCCN(Cc1ccccc1Cl)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000821065970 606318127 /nfs/dbraw/zinc/31/81/27/606318127.db2.gz PKAHMPZJHKZEFS-UHFFFAOYSA-N -1 3 358.833 3.291 20 0 FGADHM CCCCN(Cc1ccccc1Cl)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000821065970 606318129 /nfs/dbraw/zinc/31/81/29/606318129.db2.gz PKAHMPZJHKZEFS-UHFFFAOYSA-N -1 3 358.833 3.291 20 0 FGADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N(Cc1ccco1)c1cccc(Cl)c1 ZINC000823460201 606322658 /nfs/dbraw/zinc/32/26/58/606322658.db2.gz JWVHCFMBQSDEOA-UHFFFAOYSA-N -1 3 368.784 3.288 20 0 FGADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N(Cc1ccco1)c1cccc(Cl)c1 ZINC000823460201 606322660 /nfs/dbraw/zinc/32/26/60/606322660.db2.gz JWVHCFMBQSDEOA-UHFFFAOYSA-N -1 3 368.784 3.288 20 0 FGADHM O=C(CS[C@H]1CCc2ccc(F)cc21)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000823055801 606334413 /nfs/dbraw/zinc/33/44/13/606334413.db2.gz WMVCLIAWMQNPJG-INIZCTEOSA-N -1 3 369.425 3.365 20 0 FGADHM O=C(CS[C@H]1CCc2ccc(F)cc21)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000823055801 606334415 /nfs/dbraw/zinc/33/44/15/606334415.db2.gz WMVCLIAWMQNPJG-INIZCTEOSA-N -1 3 369.425 3.365 20 0 FGADHM C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820666731 606345125 /nfs/dbraw/zinc/34/51/25/606345125.db2.gz JGWTVPGKPZFZMY-GXTWGEPZSA-N -1 3 366.400 3.416 20 0 FGADHM C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820666731 606345126 /nfs/dbraw/zinc/34/51/26/606345126.db2.gz JGWTVPGKPZFZMY-GXTWGEPZSA-N -1 3 366.400 3.416 20 0 FGADHM CN(Cc1cc2ccccc2o1)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000821608370 606350772 /nfs/dbraw/zinc/35/07/72/606350772.db2.gz DGWMWOAOAPBHBL-UHFFFAOYSA-N -1 3 366.356 3.416 20 0 FGADHM CN(Cc1cc2ccccc2o1)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000821608370 606350774 /nfs/dbraw/zinc/35/07/74/606350774.db2.gz DGWMWOAOAPBHBL-UHFFFAOYSA-N -1 3 366.356 3.416 20 0 FGADHM C[C@H](Cc1ccc(F)cc1)C(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820294554 606352563 /nfs/dbraw/zinc/35/25/63/606352563.db2.gz UOPMYAATUGGMHF-OLZOCXBDSA-N -1 3 354.385 3.489 20 0 FGADHM C[C@H](Cc1ccc(F)cc1)C(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820294554 606352566 /nfs/dbraw/zinc/35/25/66/606352566.db2.gz UOPMYAATUGGMHF-OLZOCXBDSA-N -1 3 354.385 3.489 20 0 FGADHM COc1ccc(CCC(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821790799 606357989 /nfs/dbraw/zinc/35/79/89/606357989.db2.gz UQMUHENNVHULAR-CYBMUJFWSA-N -1 3 352.394 3.112 20 0 FGADHM COc1ccc(CCC(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821790799 606357988 /nfs/dbraw/zinc/35/79/88/606357988.db2.gz UQMUHENNVHULAR-CYBMUJFWSA-N -1 3 352.394 3.112 20 0 FGADHM c1coc(-c2c3c(nc(S[C@@H]4CCCOC4)c2-c2nnn[n-]2)CCC3)c1 ZINC000823815887 606361918 /nfs/dbraw/zinc/36/19/18/606361918.db2.gz LTQDPNQMSLBAKH-LLVKDONJSA-N -1 3 369.450 3.282 20 0 FGADHM O=C(Oc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1)C1=COCCC1 ZINC000823454096 606362555 /nfs/dbraw/zinc/36/25/55/606362555.db2.gz LWVJRSPUORKONO-UHFFFAOYSA-N -1 3 364.361 3.259 20 0 FGADHM O=C(Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)C1=COCCC1 ZINC000823454096 606362556 /nfs/dbraw/zinc/36/25/56/606362556.db2.gz LWVJRSPUORKONO-UHFFFAOYSA-N -1 3 364.361 3.259 20 0 FGADHM O=C(N[C@@H]1CCCSC1)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000823150700 606365077 /nfs/dbraw/zinc/36/50/77/606365077.db2.gz SCLMHUULIORUTR-CYBMUJFWSA-N -1 3 365.462 3.159 20 0 FGADHM O=C(N[C@@H]1CCCSC1)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000823150700 606365079 /nfs/dbraw/zinc/36/50/79/606365079.db2.gz SCLMHUULIORUTR-CYBMUJFWSA-N -1 3 365.462 3.159 20 0 FGADHM CC(C)C[C@@H](C)N(C)C(=O)CSCc1ccc(F)cc1-c1nnn[n-]1 ZINC000820056822 606371688 /nfs/dbraw/zinc/37/16/88/606371688.db2.gz SWHXTQXBRSPDLM-GFCCVEGCSA-N -1 3 365.478 3.132 20 0 FGADHM CC(C)C[C@@H](C)N(C)C(=O)CSCc1ccc(F)cc1-c1nn[n-]n1 ZINC000820056822 606371690 /nfs/dbraw/zinc/37/16/90/606371690.db2.gz SWHXTQXBRSPDLM-GFCCVEGCSA-N -1 3 365.478 3.132 20 0 FGADHM CC(C)CN(C(=O)CS[C@H](C)c1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000820081573 606371694 /nfs/dbraw/zinc/37/16/94/606371694.db2.gz LQHGMVAQGSQNCE-CYBMUJFWSA-N -1 3 359.499 3.308 20 0 FGADHM CC(C)CN(C(=O)CS[C@H](C)c1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000820081573 606371695 /nfs/dbraw/zinc/37/16/95/606371695.db2.gz LQHGMVAQGSQNCE-CYBMUJFWSA-N -1 3 359.499 3.308 20 0 FGADHM CC[C@@H]1CCc2ccccc2N1C(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000820989602 606373589 /nfs/dbraw/zinc/37/35/89/606373589.db2.gz XDCIIVYUUKHSJD-MRXNPFEDSA-N -1 3 363.421 3.004 20 0 FGADHM CCS[C@H]1CCC[C@H]1NC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000821456263 606380207 /nfs/dbraw/zinc/38/02/07/606380207.db2.gz OLDMKYPRKURNEN-OLZOCXBDSA-N -1 3 366.878 3.316 20 0 FGADHM CCS[C@H]1CCC[C@H]1NC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000821456263 606380209 /nfs/dbraw/zinc/38/02/09/606380209.db2.gz OLDMKYPRKURNEN-OLZOCXBDSA-N -1 3 366.878 3.316 20 0 FGADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)N1CC2(CCCC2)c2ccccc21 ZINC000823257383 606392142 /nfs/dbraw/zinc/39/21/42/606392142.db2.gz KSYJZAGRBRMNMQ-UHFFFAOYSA-N -1 3 374.448 3.408 20 0 FGADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)N1CC2(CCCC2)c2ccccc21 ZINC000823257383 606392143 /nfs/dbraw/zinc/39/21/43/606392143.db2.gz KSYJZAGRBRMNMQ-UHFFFAOYSA-N -1 3 374.448 3.408 20 0 FGADHM Fc1cccc(CN(Cc2ccc(-c3nnn[n-]3)cc2)c2ncccn2)c1 ZINC000822787008 606399781 /nfs/dbraw/zinc/39/97/81/606399781.db2.gz RWQVHKDYPBYFLT-UHFFFAOYSA-N -1 3 361.384 3.003 20 0 FGADHM Fc1cccc(CN(Cc2ccc(-c3nn[n-]n3)cc2)c2ncccn2)c1 ZINC000822787008 606399782 /nfs/dbraw/zinc/39/97/82/606399782.db2.gz RWQVHKDYPBYFLT-UHFFFAOYSA-N -1 3 361.384 3.003 20 0 FGADHM CN(C(=O)Cc1ccccc1Cl)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821572173 606414689 /nfs/dbraw/zinc/41/46/89/606414689.db2.gz USIPXRKJWRQNKG-UHFFFAOYSA-N -1 3 362.220 3.379 20 0 FGADHM CN(C(=O)Cc1ccccc1Cl)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821572173 606414692 /nfs/dbraw/zinc/41/46/92/606414692.db2.gz USIPXRKJWRQNKG-UHFFFAOYSA-N -1 3 362.220 3.379 20 0 FGADHM Cc1nnc(N2CCc3cc(-c4ccccc4)oc3C2)c(-c2nnn[n-]2)c1C ZINC000822510523 606423144 /nfs/dbraw/zinc/42/31/44/606423144.db2.gz PQVIGKPGPKPFCI-UHFFFAOYSA-N -1 3 373.420 3.096 20 0 FGADHM Cc1nnc(N2CCc3cc(-c4ccccc4)oc3C2)c(-c2nn[n-]n2)c1C ZINC000822510523 606423145 /nfs/dbraw/zinc/42/31/45/606423145.db2.gz PQVIGKPGPKPFCI-UHFFFAOYSA-N -1 3 373.420 3.096 20 0 FGADHM CO[C@@H](C)c1nc(CNc2ccc(Cl)c(-c3nnn[n-]3)c2)cs1 ZINC000821675766 606429199 /nfs/dbraw/zinc/42/91/99/606429199.db2.gz SRHXWTNUUOGHFA-QMMMGPOBSA-N -1 3 350.835 3.296 20 0 FGADHM CO[C@@H](C)c1nc(CNc2ccc(Cl)c(-c3nn[n-]n3)c2)cs1 ZINC000821675766 606429201 /nfs/dbraw/zinc/42/92/01/606429201.db2.gz SRHXWTNUUOGHFA-QMMMGPOBSA-N -1 3 350.835 3.296 20 0 FGADHM CCCOC(=O)c1ccc(NCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000821128674 606441542 /nfs/dbraw/zinc/44/15/42/606441542.db2.gz ZCEJMNRZEUIAKG-UHFFFAOYSA-N -1 3 355.373 3.185 20 0 FGADHM CCCOC(=O)c1ccc(NCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000821128674 606441543 /nfs/dbraw/zinc/44/15/43/606441543.db2.gz ZCEJMNRZEUIAKG-UHFFFAOYSA-N -1 3 355.373 3.185 20 0 FGADHM O=C(c1cccc(-c2nnn[n-]2)c1)N1CC=C(c2ccc(Cl)cc2)CC1 ZINC000823487671 606450960 /nfs/dbraw/zinc/45/09/60/606450960.db2.gz FOPAKICIAGNBBX-UHFFFAOYSA-N -1 3 365.824 3.450 20 0 FGADHM O=C(c1cccc(-c2nn[n-]n2)c1)N1CC=C(c2ccc(Cl)cc2)CC1 ZINC000823487671 606450962 /nfs/dbraw/zinc/45/09/62/606450962.db2.gz FOPAKICIAGNBBX-UHFFFAOYSA-N -1 3 365.824 3.450 20 0 FGADHM O=C(O[C@H](c1ccccc1)c1cccnc1)c1cc(-c2nnn[n-]2)cs1 ZINC000823392767 606465483 /nfs/dbraw/zinc/46/54/83/606465483.db2.gz UAKATQKJLZDDPD-MRXNPFEDSA-N -1 3 363.402 3.270 20 0 FGADHM O=C(O[C@H](c1ccccc1)c1cccnc1)c1cc(-c2nn[n-]n2)cs1 ZINC000823392767 606465485 /nfs/dbraw/zinc/46/54/85/606465485.db2.gz UAKATQKJLZDDPD-MRXNPFEDSA-N -1 3 363.402 3.270 20 0 FGADHM c1sc(-c2nc(Cc3cccc4cccnc43)no2)cc1-c1nnn[n-]1 ZINC000823816070 606471528 /nfs/dbraw/zinc/47/15/28/606471528.db2.gz PBWRFHWVHKWYRD-UHFFFAOYSA-N -1 3 361.390 3.117 20 0 FGADHM c1sc(-c2nc(Cc3cccc4cccnc43)no2)cc1-c1nn[n-]n1 ZINC000823816070 606471530 /nfs/dbraw/zinc/47/15/30/606471530.db2.gz PBWRFHWVHKWYRD-UHFFFAOYSA-N -1 3 361.390 3.117 20 0 FGADHM CC(C)[C@@H]1OCC[C@H]1CNc1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21 ZINC000820043919 606473198 /nfs/dbraw/zinc/47/31/98/606473198.db2.gz CONZPQUEMJPUGK-BTDLBPIBSA-N -1 3 374.395 3.166 20 0 FGADHM CC(C)[C@@H]1OCC[C@H]1CNc1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21 ZINC000820043919 606473200 /nfs/dbraw/zinc/47/32/00/606473200.db2.gz CONZPQUEMJPUGK-BTDLBPIBSA-N -1 3 374.395 3.166 20 0 FGADHM O=C(Nc1ccc(SC(F)F)cc1)c1cc(-c2nnn[n-]2)cs1 ZINC000823356010 606476213 /nfs/dbraw/zinc/47/62/13/606476213.db2.gz ICSADPJZVXYCLX-UHFFFAOYSA-N -1 3 353.379 3.495 20 0 FGADHM O=C(Nc1ccc(SC(F)F)cc1)c1cc(-c2nn[n-]n2)cs1 ZINC000823356010 606476215 /nfs/dbraw/zinc/47/62/15/606476215.db2.gz ICSADPJZVXYCLX-UHFFFAOYSA-N -1 3 353.379 3.495 20 0 FGADHM O=C(NC[C@H]1CCC[C@H](C(F)(F)F)C1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000823175908 606482776 /nfs/dbraw/zinc/48/27/76/606482776.db2.gz OHWZOBHKHFQJAT-JQWIXIFHSA-N -1 3 368.363 3.357 20 0 FGADHM O=C(NC[C@H]1CCC[C@H](C(F)(F)F)C1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000823175908 606482778 /nfs/dbraw/zinc/48/27/78/606482778.db2.gz OHWZOBHKHFQJAT-JQWIXIFHSA-N -1 3 368.363 3.357 20 0 FGADHM CC(C)Oc1ccc([C@@H](C)NC(=O)c2cc(-c3nnn[n-]3)cs2)cc1 ZINC000820155021 606490218 /nfs/dbraw/zinc/49/02/18/606490218.db2.gz HIRRRTAPQNLSMZ-LLVKDONJSA-N -1 3 357.439 3.206 20 0 FGADHM CC(C)Oc1ccc([C@@H](C)NC(=O)c2cc(-c3nn[n-]n3)cs2)cc1 ZINC000820155021 606490220 /nfs/dbraw/zinc/49/02/20/606490220.db2.gz HIRRRTAPQNLSMZ-LLVKDONJSA-N -1 3 357.439 3.206 20 0 FGADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)c1ccc(C)cc1F ZINC000821699447 606494231 /nfs/dbraw/zinc/49/42/31/606494231.db2.gz QABBHXDIFWEONA-UHFFFAOYSA-N -1 3 362.748 3.195 20 0 FGADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)c1ccc(C)cc1F ZINC000821699447 606494232 /nfs/dbraw/zinc/49/42/32/606494232.db2.gz QABBHXDIFWEONA-UHFFFAOYSA-N -1 3 362.748 3.195 20 0 FGADHM COc1ccccc1[C@@H]1CCCCN1C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000821889737 606509284 /nfs/dbraw/zinc/50/92/84/606509284.db2.gz FLRFXXBNPRWJTO-AWEZNQCLSA-N -1 3 369.450 3.304 20 0 FGADHM COc1ccccc1[C@@H]1CCCCN1C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000821889737 606509286 /nfs/dbraw/zinc/50/92/86/606509286.db2.gz FLRFXXBNPRWJTO-AWEZNQCLSA-N -1 3 369.450 3.304 20 0 FGADHM C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)N1C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820669157 606516722 /nfs/dbraw/zinc/51/67/22/606516722.db2.gz ZDWWENATYBPRAR-TYNCELHUSA-N -1 3 353.451 3.335 20 0 FGADHM C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)N1C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820669157 606516724 /nfs/dbraw/zinc/51/67/24/606516724.db2.gz ZDWWENATYBPRAR-TYNCELHUSA-N -1 3 353.451 3.335 20 0 FGADHM Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)c2cc(-c3nnn[n-]3)cs2)o1 ZINC000822233947 606521856 /nfs/dbraw/zinc/52/18/56/606521856.db2.gz YFASNCFDRRLMTR-ZWNOBZJWSA-N -1 3 357.439 3.443 20 0 FGADHM Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)c2cc(-c3nn[n-]n3)cs2)o1 ZINC000822233947 606521858 /nfs/dbraw/zinc/52/18/58/606521858.db2.gz YFASNCFDRRLMTR-ZWNOBZJWSA-N -1 3 357.439 3.443 20 0 FGADHM C[C@@H]1[C@@H](Cc2ccccc2)CCN1C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820642705 606524984 /nfs/dbraw/zinc/52/49/84/606524984.db2.gz KZUCFKODIFRESV-TZMCWYRMSA-N -1 3 353.451 3.022 20 0 FGADHM C[C@@H]1[C@@H](Cc2ccccc2)CCN1C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820642705 606524985 /nfs/dbraw/zinc/52/49/85/606524985.db2.gz KZUCFKODIFRESV-TZMCWYRMSA-N -1 3 353.451 3.022 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(C)=Cc1ccc(F)cc1 ZINC000821399763 606532677 /nfs/dbraw/zinc/53/26/77/606532677.db2.gz BBPXUMQVOWHROK-ZRDIBKRKSA-N -1 3 367.384 3.447 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(C)=Cc1ccc(F)cc1 ZINC000821399763 606532679 /nfs/dbraw/zinc/53/26/79/606532679.db2.gz BBPXUMQVOWHROK-ZRDIBKRKSA-N -1 3 367.384 3.447 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N1CCCC[C@H]1c1ccc(F)cc1 ZINC000823088403 606537629 /nfs/dbraw/zinc/53/76/29/606537629.db2.gz XRRDSINBPNCRPS-SFHVURJKSA-N -1 3 365.412 3.302 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N1CCCC[C@H]1c1ccc(F)cc1 ZINC000823088403 606537631 /nfs/dbraw/zinc/53/76/31/606537631.db2.gz XRRDSINBPNCRPS-SFHVURJKSA-N -1 3 365.412 3.302 20 0 FGADHM O=C(Nc1ccc2nc(C3CC3)oc2c1)c1cc(-c2nnn[n-]2)cs1 ZINC000823357438 606546438 /nfs/dbraw/zinc/54/64/38/606546438.db2.gz VNPHFXBWCWRXPB-UHFFFAOYSA-N -1 3 352.379 3.199 20 0 FGADHM O=C(Nc1ccc2nc(C3CC3)oc2c1)c1cc(-c2nn[n-]n2)cs1 ZINC000823357438 606546439 /nfs/dbraw/zinc/54/64/39/606546439.db2.gz VNPHFXBWCWRXPB-UHFFFAOYSA-N -1 3 352.379 3.199 20 0 FGADHM CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820938461 606548507 /nfs/dbraw/zinc/54/85/07/606548507.db2.gz JERJLWYTBCLCAZ-OAHLLOKOSA-N -1 3 355.373 3.110 20 0 FGADHM CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820938461 606548509 /nfs/dbraw/zinc/54/85/09/606548509.db2.gz JERJLWYTBCLCAZ-OAHLLOKOSA-N -1 3 355.373 3.110 20 0 FGADHM CCC1(CNC(=O)c2cc(C3CC3)nc(SC)c2-c2nnn[n-]2)CCC1 ZINC000820962808 606556870 /nfs/dbraw/zinc/55/68/70/606556870.db2.gz ZMZUQSJOVWMMSU-UHFFFAOYSA-N -1 3 372.498 3.171 20 0 FGADHM CC(C)c1ccc(C(=O)[C@H](C)OC(=O)c2cc(-c3nnn[n-]3)cs2)cc1 ZINC000820508609 606562358 /nfs/dbraw/zinc/56/23/58/606562358.db2.gz SWWBKPXIJZCKRW-NSHDSACASA-N -1 3 370.434 3.480 20 0 FGADHM CC(C)c1ccc(C(=O)[C@H](C)OC(=O)c2cc(-c3nn[n-]n3)cs2)cc1 ZINC000820508609 606562360 /nfs/dbraw/zinc/56/23/60/606562360.db2.gz SWWBKPXIJZCKRW-NSHDSACASA-N -1 3 370.434 3.480 20 0 FGADHM Cc1cc(Oc2ccc(-c3nnn[n-]3)cc2)ccc1NC(=O)NCC(F)F ZINC000822211728 606574698 /nfs/dbraw/zinc/57/46/98/606574698.db2.gz MGGVBIOLOMIVHL-UHFFFAOYSA-N -1 3 374.351 3.354 20 0 FGADHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1NC(=O)NCC(F)F ZINC000822211728 606574700 /nfs/dbraw/zinc/57/47/00/606574700.db2.gz MGGVBIOLOMIVHL-UHFFFAOYSA-N -1 3 374.351 3.354 20 0 FGADHM CC[C@@H](Oc1cccc(C)c1)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820938270 606579121 /nfs/dbraw/zinc/57/91/21/606579121.db2.gz HTKNKQYOLYDGHX-RDTXWAMCSA-N -1 3 365.437 3.210 20 0 FGADHM CC[C@@H](Oc1cccc(C)c1)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820938270 606579122 /nfs/dbraw/zinc/57/91/22/606579122.db2.gz HTKNKQYOLYDGHX-RDTXWAMCSA-N -1 3 365.437 3.210 20 0 FGADHM CC(=O)c1ccc(OCc2ccc(-c3nnn[n-]3)cc2OC(F)F)cc1 ZINC000819834639 606588686 /nfs/dbraw/zinc/58/86/86/606588686.db2.gz PWNGZAWMQAWZHE-UHFFFAOYSA-N -1 3 360.320 3.250 20 0 FGADHM CC(=O)c1ccc(OCc2ccc(-c3nn[n-]n3)cc2OC(F)F)cc1 ZINC000819834639 606588687 /nfs/dbraw/zinc/58/86/87/606588687.db2.gz PWNGZAWMQAWZHE-UHFFFAOYSA-N -1 3 360.320 3.250 20 0 FGADHM CCOc1ccc(NCc2ccc(-c3nnn[n-]3)cc2OC(F)F)cc1 ZINC000821422317 606596468 /nfs/dbraw/zinc/59/64/68/606596468.db2.gz TZCQHOHDLJPXIR-UHFFFAOYSA-N -1 3 361.352 3.479 20 0 FGADHM CCOc1ccc(NCc2ccc(-c3nn[n-]n3)cc2OC(F)F)cc1 ZINC000821422317 606596469 /nfs/dbraw/zinc/59/64/69/606596469.db2.gz TZCQHOHDLJPXIR-UHFFFAOYSA-N -1 3 361.352 3.479 20 0 FGADHM Cc1nc(CNc2ccccc2Oc2ncccc2-c2nnn[n-]2)oc1C ZINC000822444198 606597285 /nfs/dbraw/zinc/59/72/85/606597285.db2.gz GJDOKCIIRWYCMZ-UHFFFAOYSA-N -1 3 363.381 3.271 20 0 FGADHM Cc1cccn2cc(CSCCOc3cccc(-c4nnn[n-]4)c3)nc12 ZINC000822366558 606598801 /nfs/dbraw/zinc/59/88/01/606598801.db2.gz NEBRDPXVWPSRSL-UHFFFAOYSA-N -1 3 366.450 3.135 20 0 FGADHM Cc1cccn2cc(CSCCOc3cccc(-c4nn[n-]n4)c3)nc12 ZINC000822366558 606598802 /nfs/dbraw/zinc/59/88/02/606598802.db2.gz NEBRDPXVWPSRSL-UHFFFAOYSA-N -1 3 366.450 3.135 20 0 FGADHM NC(=NOCc1ccccc1-c1nn[n-]n1)C12CC3CC(CC(C3)C1)C2 ZINC000822845710 606610632 /nfs/dbraw/zinc/61/06/32/606610632.db2.gz FKSQWVJTQRWJPK-UHFFFAOYSA-N -1 3 352.442 3.082 20 0 FGADHM Cc1ccc(/C=C\CC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000822232946 606620908 /nfs/dbraw/zinc/62/09/08/606620908.db2.gz FDTUEHZSYZCRJO-IHWYPQMZSA-N -1 3 351.385 3.034 20 0 FGADHM Cc1ccc(/C=C\CC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000822232946 606620909 /nfs/dbraw/zinc/62/09/09/606620909.db2.gz FDTUEHZSYZCRJO-IHWYPQMZSA-N -1 3 351.385 3.034 20 0 FGADHM C/C=C\CS(=O)(=O)Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000820832410 606621468 /nfs/dbraw/zinc/62/14/68/606621468.db2.gz JUBKXNLDTLHYNK-IHWYPQMZSA-N -1 3 354.435 3.025 20 0 FGADHM C/C=C\CS(=O)(=O)Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000820832410 606621470 /nfs/dbraw/zinc/62/14/70/606621470.db2.gz JUBKXNLDTLHYNK-IHWYPQMZSA-N -1 3 354.435 3.025 20 0 FGADHM C[C@H](C(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)s1 ZINC000819857340 606625921 /nfs/dbraw/zinc/62/59/21/606625921.db2.gz RIQKPKAVNXUSAO-JTQLQIEISA-N -1 3 361.858 3.344 20 0 FGADHM C[C@H](C(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)s1 ZINC000819857340 606625923 /nfs/dbraw/zinc/62/59/23/606625923.db2.gz RIQKPKAVNXUSAO-JTQLQIEISA-N -1 3 361.858 3.344 20 0 FGADHM C[C@@H](Sc1ccc(Cl)cc1-c1nnn[n-]1)C(=O)NC1CCCCC1 ZINC000820548558 606628336 /nfs/dbraw/zinc/62/83/36/606628336.db2.gz CBHZJSDGYDNWOH-SNVBAGLBSA-N -1 3 365.890 3.450 20 0 FGADHM C[C@@H](Sc1ccc(Cl)cc1-c1nn[n-]n1)C(=O)NC1CCCCC1 ZINC000820548558 606628338 /nfs/dbraw/zinc/62/83/38/606628338.db2.gz CBHZJSDGYDNWOH-SNVBAGLBSA-N -1 3 365.890 3.450 20 0 FGADHM C[C@H](NCc1ccc(-c2nnn[n-]2)o1)c1cccc(OC(F)(F)F)c1 ZINC000820433315 606634807 /nfs/dbraw/zinc/63/48/07/606634807.db2.gz XMLCXOUEMPUSGI-VIFPVBQESA-N -1 3 353.304 3.209 20 0 FGADHM CCN(Cc1ccc(C)cc1)C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821222082 606667867 /nfs/dbraw/zinc/66/78/67/606667867.db2.gz OLFUVYCLHFRXDM-UHFFFAOYSA-N -1 3 357.364 3.116 20 0 FGADHM CCN(Cc1ccc(C)cc1)C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821222082 606667868 /nfs/dbraw/zinc/66/78/68/606667868.db2.gz OLFUVYCLHFRXDM-UHFFFAOYSA-N -1 3 357.364 3.116 20 0 FGADHM C[C@@H](c1ccccc1F)N(C)C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820570338 606669339 /nfs/dbraw/zinc/66/93/39/606669339.db2.gz HQLCOKFNFVFZPF-VIFPVBQESA-N -1 3 361.327 3.117 20 0 FGADHM C[C@@H](c1ccccc1F)N(C)C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820570338 606669340 /nfs/dbraw/zinc/66/93/40/606669340.db2.gz HQLCOKFNFVFZPF-VIFPVBQESA-N -1 3 361.327 3.117 20 0 FGADHM CCN(C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1ccc(Cl)cc1 ZINC000821155060 606669369 /nfs/dbraw/zinc/66/93/69/606669369.db2.gz VLABUEYFVAMQJW-UHFFFAOYSA-N -1 3 363.755 3.465 20 0 FGADHM CCN(C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccc(Cl)cc1 ZINC000821155060 606669370 /nfs/dbraw/zinc/66/93/70/606669370.db2.gz VLABUEYFVAMQJW-UHFFFAOYSA-N -1 3 363.755 3.465 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)CCCc1ccc(F)c(F)c1 ZINC000822216202 606675602 /nfs/dbraw/zinc/67/56/02/606675602.db2.gz IGSFGIOKMRPBLH-UHFFFAOYSA-N -1 3 357.364 3.415 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)CCCc1ccc(F)c(F)c1 ZINC000822216202 606675603 /nfs/dbraw/zinc/67/56/03/606675603.db2.gz IGSFGIOKMRPBLH-UHFFFAOYSA-N -1 3 357.364 3.415 20 0 FGADHM O=C(Nc1nc2ccsc2s1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823379831 606681144 /nfs/dbraw/zinc/68/11/44/606681144.db2.gz KHQZQJWRFZLQLO-UHFFFAOYSA-N -1 3 364.362 3.068 20 0 FGADHM C[C@H](NC(=O)CCc1cn(C)c2ccccc12)c1cccc(-c2nnn[n-]2)c1 ZINC000820329319 606684040 /nfs/dbraw/zinc/68/40/40/606684040.db2.gz VJQASLZDDWBXHP-AWEZNQCLSA-N -1 3 374.448 3.168 20 0 FGADHM C[C@H](NC(=O)CCc1cn(C)c2ccccc12)c1cccc(-c2nn[n-]n2)c1 ZINC000820329319 606684041 /nfs/dbraw/zinc/68/40/41/606684041.db2.gz VJQASLZDDWBXHP-AWEZNQCLSA-N -1 3 374.448 3.168 20 0 FGADHM C[C@@H](OC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1cc(F)cc(F)c1 ZINC000820488220 606686222 /nfs/dbraw/zinc/68/62/22/606686222.db2.gz MEYAFDAJIATRLG-XUIVZRPNSA-N -1 3 356.332 3.463 20 0 FGADHM C[C@@H](OC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1cc(F)cc(F)c1 ZINC000820488220 606686223 /nfs/dbraw/zinc/68/62/23/606686223.db2.gz MEYAFDAJIATRLG-XUIVZRPNSA-N -1 3 356.332 3.463 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N1CC[C@H](c2ccc(F)cc2)C1 ZINC000823308529 606696304 /nfs/dbraw/zinc/69/63/04/606696304.db2.gz DCCVJYPSHLNJTR-AWEZNQCLSA-N -1 3 352.373 3.027 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N1CC[C@H](c2ccc(F)cc2)C1 ZINC000823308529 606696305 /nfs/dbraw/zinc/69/63/05/606696305.db2.gz DCCVJYPSHLNJTR-AWEZNQCLSA-N -1 3 352.373 3.027 20 0 FGADHM Cc1cccc(Cl)c1NCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000822304361 606705117 /nfs/dbraw/zinc/70/51/17/606705117.db2.gz UWFYRYPBUXDZPX-UHFFFAOYSA-N -1 3 367.800 3.491 20 0 FGADHM Cc1cccc(Cl)c1NCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822304361 606705119 /nfs/dbraw/zinc/70/51/19/606705119.db2.gz UWFYRYPBUXDZPX-UHFFFAOYSA-N -1 3 367.800 3.491 20 0 FGADHM COCCCOc1cc(C)ccc1CNc1ccc(-c2nn[n-]n2)cc1F ZINC000821687964 606726416 /nfs/dbraw/zinc/72/64/16/606726416.db2.gz XKJPACGVTNCSEF-UHFFFAOYSA-N -1 3 371.416 3.342 20 0 FGADHM CC[C@H]1CCN(c2c(-c3nnn[n-]3)cnc3ccc(OC(F)F)cc32)C1 ZINC000820988885 606727459 /nfs/dbraw/zinc/72/74/59/606727459.db2.gz IPWWGHDJYKIBFR-JTQLQIEISA-N -1 3 360.368 3.253 20 0 FGADHM CC[C@H]1CCN(c2c(-c3nn[n-]n3)cnc3ccc(OC(F)F)cc32)C1 ZINC000820988885 606727461 /nfs/dbraw/zinc/72/74/61/606727461.db2.gz IPWWGHDJYKIBFR-JTQLQIEISA-N -1 3 360.368 3.253 20 0 FGADHM Fc1cc(F)c2ncc(-c3nnn[n-]3)c(N[C@@H]3CCC[C@H]4OCC[C@@H]43)c2c1 ZINC000822753150 606729709 /nfs/dbraw/zinc/72/97/09/606729709.db2.gz GQXLPRGOZANMNL-VCTAVGKDSA-N -1 3 372.379 3.063 20 0 FGADHM Fc1cc(F)c2ncc(-c3nn[n-]n3)c(N[C@@H]3CCC[C@H]4OCC[C@@H]43)c2c1 ZINC000822753150 606729711 /nfs/dbraw/zinc/72/97/11/606729711.db2.gz GQXLPRGOZANMNL-VCTAVGKDSA-N -1 3 372.379 3.063 20 0 FGADHM C[C@@H](OC1CCCCCC1)C(=O)OCc1cc(-c2nnn[n-]2)ccc1F ZINC000820518652 606735385 /nfs/dbraw/zinc/73/53/85/606735385.db2.gz IGGWCVHJMKQEHT-GFCCVEGCSA-N -1 3 362.405 3.177 20 0 FGADHM C[C@@H](OC1CCCCCC1)C(=O)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000820518652 606735388 /nfs/dbraw/zinc/73/53/88/606735388.db2.gz IGGWCVHJMKQEHT-GFCCVEGCSA-N -1 3 362.405 3.177 20 0 FGADHM CC(C)c1cccc(COC(=O)CCc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000820197922 606737417 /nfs/dbraw/zinc/73/74/17/606737417.db2.gz PEIDSFQFYXSQBF-UHFFFAOYSA-N -1 3 351.410 3.061 20 0 FGADHM CC(C)c1cccc(COC(=O)CCc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000820197922 606737419 /nfs/dbraw/zinc/73/74/19/606737419.db2.gz PEIDSFQFYXSQBF-UHFFFAOYSA-N -1 3 351.410 3.061 20 0 FGADHM Cc1nc(CC(C)C)c(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)s1 ZINC000822436244 606747757 /nfs/dbraw/zinc/74/77/57/606747757.db2.gz JSOQEJMXCPIWLF-CMDGGOBGSA-N -1 3 368.466 3.482 20 0 FGADHM Cc1nc(CC(C)C)c(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)s1 ZINC000822436244 606747758 /nfs/dbraw/zinc/74/77/58/606747758.db2.gz JSOQEJMXCPIWLF-CMDGGOBGSA-N -1 3 368.466 3.482 20 0 FGADHM Cc1ccc(OC(F)F)c(CNCc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000822259355 606771190 /nfs/dbraw/zinc/77/11/90/606771190.db2.gz VRNNOUREZGQXJU-UHFFFAOYSA-N -1 3 363.343 3.205 20 0 FGADHM Clc1ccc(-c2nnn[n-]2)c(OCc2noc(-c3cccs3)n2)c1 ZINC000822574335 606781578 /nfs/dbraw/zinc/78/15/78/606781578.db2.gz RUVFKUSVBJSHJN-UHFFFAOYSA-N -1 3 360.786 3.211 20 0 FGADHM Clc1ccc(-c2nn[n-]n2)c(OCc2noc(-c3cccs3)n2)c1 ZINC000822574335 606781580 /nfs/dbraw/zinc/78/15/80/606781580.db2.gz RUVFKUSVBJSHJN-UHFFFAOYSA-N -1 3 360.786 3.211 20 0 FGADHM CC(C)CN(CC(C)(C)C)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000820081506 606810865 /nfs/dbraw/zinc/81/08/65/606810865.db2.gz JIYVASZYYUTIKD-UHFFFAOYSA-N -1 3 362.453 3.220 20 0 FGADHM CC(C)CN(CC(C)(C)C)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000820081506 606810867 /nfs/dbraw/zinc/81/08/67/606810867.db2.gz JIYVASZYYUTIKD-UHFFFAOYSA-N -1 3 362.453 3.220 20 0 FGADHM Cc1cc(-c2nn[n-]n2)cc(C)c1OCc1csc(N(C)C2CC2)n1 ZINC000822137779 606825382 /nfs/dbraw/zinc/82/53/82/606825382.db2.gz WVWFTNQWXGQGIP-UHFFFAOYSA-N -1 3 356.455 3.118 20 0 FGADHM CC(=O)c1ccc(F)cc1OCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000819834095 606838854 /nfs/dbraw/zinc/83/88/54/606838854.db2.gz LSNDILFXYLBQAH-UHFFFAOYSA-N -1 3 356.357 3.056 20 0 FGADHM CC(=O)c1ccc(F)cc1OCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000819834095 606838855 /nfs/dbraw/zinc/83/88/55/606838855.db2.gz LSNDILFXYLBQAH-UHFFFAOYSA-N -1 3 356.357 3.056 20 0 FGADHM CC1(C)CN(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)c2ccccc21 ZINC000820601080 606867556 /nfs/dbraw/zinc/86/75/56/606867556.db2.gz BDIUHPSJZKXWOH-UHFFFAOYSA-N -1 3 366.400 3.013 20 0 FGADHM CC1(C)CN(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)c2ccccc21 ZINC000820601080 606867557 /nfs/dbraw/zinc/86/75/57/606867557.db2.gz BDIUHPSJZKXWOH-UHFFFAOYSA-N -1 3 366.400 3.013 20 0 FGADHM c1cc2ncnc(SCCCOc3cccc(-c4nnn[n-]4)c3)c2s1 ZINC000823762637 606867863 /nfs/dbraw/zinc/86/78/63/606867863.db2.gz REXJZPQDQLJJLU-UHFFFAOYSA-N -1 3 370.463 3.433 20 0 FGADHM c1cc2ncnc(SCCCOc3cccc(-c4nn[n-]n4)c3)c2s1 ZINC000823762637 606867865 /nfs/dbraw/zinc/86/78/65/606867865.db2.gz REXJZPQDQLJJLU-UHFFFAOYSA-N -1 3 370.463 3.433 20 0 FGADHM Cc1csc(COC(=O)c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)n1 ZINC000822414700 606868823 /nfs/dbraw/zinc/86/88/23/606868823.db2.gz QHXKSVQKUSRXAR-UHFFFAOYSA-N -1 3 369.328 3.007 20 0 FGADHM Cc1csc(COC(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)n1 ZINC000822414700 606868824 /nfs/dbraw/zinc/86/88/24/606868824.db2.gz QHXKSVQKUSRXAR-UHFFFAOYSA-N -1 3 369.328 3.007 20 0 FGADHM C[C@H](NC(=O)N1[C@H](C)C[C@H]2CCCC[C@@H]21)c1cccc(-c2nnn[n-]2)c1 ZINC000820341308 606870175 /nfs/dbraw/zinc/87/01/75/606870175.db2.gz PUDBWQRPVSJECG-CXUGXGMPSA-N -1 3 354.458 3.290 20 0 FGADHM C[C@H](NC(=O)N1[C@H](C)C[C@H]2CCCC[C@@H]21)c1cccc(-c2nn[n-]n2)c1 ZINC000820341308 606870177 /nfs/dbraw/zinc/87/01/77/606870177.db2.gz PUDBWQRPVSJECG-CXUGXGMPSA-N -1 3 354.458 3.290 20 0 FGADHM C[C@H]1CC[C@H](C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)O1 ZINC000820676443 606874528 /nfs/dbraw/zinc/87/45/28/606874528.db2.gz MYKACOBIJPHSEB-YVEFUNNKSA-N -1 3 365.393 3.165 20 0 FGADHM C[C@H]1CC[C@H](C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)O1 ZINC000820676443 606874530 /nfs/dbraw/zinc/87/45/30/606874530.db2.gz MYKACOBIJPHSEB-YVEFUNNKSA-N -1 3 365.393 3.165 20 0 FGADHM C[C@@H]1CC[C@H](C)N1C(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000820683977 606878667 /nfs/dbraw/zinc/87/86/67/606878667.db2.gz KMCDOIUOHQFJDZ-BETUJISGSA-N -1 3 367.409 3.052 20 0 FGADHM C[C@@H]1CC[C@H](C)N1C(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000820683977 606878668 /nfs/dbraw/zinc/87/86/68/606878668.db2.gz KMCDOIUOHQFJDZ-BETUJISGSA-N -1 3 367.409 3.052 20 0 FGADHM FC(F)(F)c1ccc(NC[C@@H]2CC2(Cl)Cl)c(-c2nnn[n-]2)c1 ZINC000822728391 606918158 /nfs/dbraw/zinc/91/81/58/606918158.db2.gz HZDKNWWPWJJYMB-ZETCQYMHSA-N -1 3 352.147 3.491 20 0 FGADHM FC(F)(F)c1ccc(NC[C@@H]2CC2(Cl)Cl)c(-c2nn[n-]n2)c1 ZINC000822728391 606918159 /nfs/dbraw/zinc/91/81/59/606918159.db2.gz HZDKNWWPWJJYMB-ZETCQYMHSA-N -1 3 352.147 3.491 20 0 FGADHM CCc1nnc(NCc2ccc([C@H]3C[C@H]3C)o2)c(-c2nnn[n-]2)c1CC ZINC000821542235 606922594 /nfs/dbraw/zinc/92/25/94/606922594.db2.gz LYZUIKJGHUNGFX-MFKMUULPSA-N -1 3 353.430 3.110 20 0 FGADHM CCc1nnc(NCc2ccc([C@H]3C[C@H]3C)o2)c(-c2nn[n-]n2)c1CC ZINC000821542235 606922595 /nfs/dbraw/zinc/92/25/95/606922595.db2.gz LYZUIKJGHUNGFX-MFKMUULPSA-N -1 3 353.430 3.110 20 0 FGADHM Cc1ccc2nc(CNc3ccc(C(F)(F)F)cc3-c3nnn[n-]3)cn2c1 ZINC000822280391 606923430 /nfs/dbraw/zinc/92/34/30/606923430.db2.gz MBPJXNKZRQRTSR-UHFFFAOYSA-N -1 3 373.342 3.454 20 0 FGADHM Cc1ccc2nc(CNc3ccc(C(F)(F)F)cc3-c3nn[n-]n3)cn2c1 ZINC000822280391 606923433 /nfs/dbraw/zinc/92/34/33/606923433.db2.gz MBPJXNKZRQRTSR-UHFFFAOYSA-N -1 3 373.342 3.454 20 0 FGADHM CCOCCC1(C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)CCCC1 ZINC000821374618 606924505 /nfs/dbraw/zinc/92/45/05/606924505.db2.gz YKZFNXZUEZQZNM-AWEZNQCLSA-N -1 3 358.442 3.458 20 0 FGADHM CCOCCC1(C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC000821374618 606924506 /nfs/dbraw/zinc/92/45/06/606924506.db2.gz YKZFNXZUEZQZNM-AWEZNQCLSA-N -1 3 358.442 3.458 20 0 FGADHM CCC(=O)Nc1ccc(C)c(NCc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000820836966 606927171 /nfs/dbraw/zinc/92/71/71/606927171.db2.gz FOFJUXGFSHFOKW-UHFFFAOYSA-N -1 3 354.389 3.275 20 0 FGADHM CCC(=O)Nc1ccc(C)c(NCc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000820836966 606927172 /nfs/dbraw/zinc/92/71/72/606927172.db2.gz FOFJUXGFSHFOKW-UHFFFAOYSA-N -1 3 354.389 3.275 20 0 FGADHM CCc1nnc(N[C@H]2CCc3ccc(F)cc32)c(-c2nnn[n-]2)c1CC ZINC000821529290 606934289 /nfs/dbraw/zinc/93/42/89/606934289.db2.gz WGJZZTQYTMIDMF-HNNXBMFYSA-N -1 3 353.405 3.020 20 0 FGADHM CCc1nnc(N[C@H]2CCc3ccc(F)cc32)c(-c2nn[n-]n2)c1CC ZINC000821529290 606934290 /nfs/dbraw/zinc/93/42/90/606934290.db2.gz WGJZZTQYTMIDMF-HNNXBMFYSA-N -1 3 353.405 3.020 20 0 FGADHM CCc1nnc(NC[C@@H](c2cccnc2)C(C)C)c(-c2nnn[n-]2)c1CC ZINC000821535356 606943313 /nfs/dbraw/zinc/94/33/13/606943313.db2.gz IELCDUPLCPKSBV-OAHLLOKOSA-N -1 3 366.473 3.028 20 0 FGADHM CCc1nnc(NC[C@@H](c2cccnc2)C(C)C)c(-c2nn[n-]n2)c1CC ZINC000821535356 606943315 /nfs/dbraw/zinc/94/33/15/606943315.db2.gz IELCDUPLCPKSBV-OAHLLOKOSA-N -1 3 366.473 3.028 20 0 FGADHM C[C@@H]1CC[C@@H](C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCCC3)O1 ZINC000820677316 606956417 /nfs/dbraw/zinc/95/64/17/606956417.db2.gz QPEVDVAVBWVOKM-PWSUYJOCSA-N -1 3 361.471 3.093 20 0 FGADHM C[C@@H]1CC[C@@H](C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCCC3)O1 ZINC000820677316 606956419 /nfs/dbraw/zinc/95/64/19/606956419.db2.gz QPEVDVAVBWVOKM-PWSUYJOCSA-N -1 3 361.471 3.093 20 0 FGADHM COc1ccc(C)cc1CC(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821782385 606959664 /nfs/dbraw/zinc/95/96/64/606959664.db2.gz DSAPXTPXQLJNHO-UHFFFAOYSA-N -1 3 371.828 3.043 20 0 FGADHM COc1ccc(C)cc1CC(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821782385 606959666 /nfs/dbraw/zinc/95/96/66/606959666.db2.gz DSAPXTPXQLJNHO-UHFFFAOYSA-N -1 3 371.828 3.043 20 0 FGADHM Fc1ccc(CN2CCO[C@@H](c3ccccc3Cl)C2)cc1-c1nnn[n-]1 ZINC000822771333 606968946 /nfs/dbraw/zinc/96/89/46/606968946.db2.gz GAQHBLICXJXTEL-QGZVFWFLSA-N -1 3 373.819 3.233 20 0 FGADHM Fc1ccc(CN2CCO[C@@H](c3ccccc3Cl)C2)cc1-c1nn[n-]n1 ZINC000822771333 606968947 /nfs/dbraw/zinc/96/89/47/606968947.db2.gz GAQHBLICXJXTEL-QGZVFWFLSA-N -1 3 373.819 3.233 20 0 FGADHM CCS[C@@H](C)c1noc(COc2c(C)cc(-c3nn[n-]n3)cc2C)n1 ZINC000821446455 606982454 /nfs/dbraw/zinc/98/24/54/606982454.db2.gz AORDEQULSXQUCT-NSHDSACASA-N -1 3 360.443 3.260 20 0 FGADHM CC=C(C=CC(=O)NCCSCc1ccccc1-c1nnn[n-]1)CC ZINC000820827789 606984109 /nfs/dbraw/zinc/98/41/09/606984109.db2.gz XVFYSGNDTVZKOF-KMSCECPDSA-N -1 3 357.483 3.129 20 0 FGADHM CC=C(C=CC(=O)NCCSCc1ccccc1-c1nn[n-]n1)CC ZINC000820827789 606984110 /nfs/dbraw/zinc/98/41/10/606984110.db2.gz XVFYSGNDTVZKOF-KMSCECPDSA-N -1 3 357.483 3.129 20 0 FGADHM Fc1ccc(-c2nnn[n-]2)c(CSCc2cccc3nsnc32)c1 ZINC000822758430 606989384 /nfs/dbraw/zinc/98/93/84/606989384.db2.gz OZUXHEQRRRVSNE-UHFFFAOYSA-N -1 3 358.427 3.444 20 0 FGADHM Fc1ccc(-c2nn[n-]n2)c(CSCc2cccc3nsnc32)c1 ZINC000822758430 606989386 /nfs/dbraw/zinc/98/93/86/606989386.db2.gz OZUXHEQRRRVSNE-UHFFFAOYSA-N -1 3 358.427 3.444 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)c1c[nH]nc1C1CCCCC1 ZINC000823421559 606999115 /nfs/dbraw/zinc/99/91/15/606999115.db2.gz CJAJYFWFVSBWNC-UHFFFAOYSA-N -1 3 370.388 3.134 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)c1c[nH]nc1C1CCCCC1 ZINC000823421559 606999117 /nfs/dbraw/zinc/99/91/17/606999117.db2.gz CJAJYFWFVSBWNC-UHFFFAOYSA-N -1 3 370.388 3.134 20 0 FGADHM Cc1ccc(OCCCC(=O)N(C)c2cccc(-c3nnn[n-]3)c2)c(C)c1 ZINC000822263059 607002582 /nfs/dbraw/zinc/00/25/82/607002582.db2.gz IJERSHWGFCVJDH-UHFFFAOYSA-N -1 3 365.437 3.306 20 0 FGADHM Cc1ccc(OCCCC(=O)N(C)c2cccc(-c3nn[n-]n3)c2)c(C)c1 ZINC000822263059 607002584 /nfs/dbraw/zinc/00/25/84/607002584.db2.gz IJERSHWGFCVJDH-UHFFFAOYSA-N -1 3 365.437 3.306 20 0 FGADHM Cc1nc(CC(=O)N(CC(C)C)c2ccc(-c3nnn[n-]3)cc2)c(C)s1 ZINC000822436970 607012959 /nfs/dbraw/zinc/01/29/59/607012959.db2.gz UZBGZJDCAYLBGT-UHFFFAOYSA-N -1 3 370.482 3.172 20 0 FGADHM Cc1nc(CC(=O)N(CC(C)C)c2ccc(-c3nn[n-]n3)cc2)c(C)s1 ZINC000822436970 607012962 /nfs/dbraw/zinc/01/29/62/607012962.db2.gz UZBGZJDCAYLBGT-UHFFFAOYSA-N -1 3 370.482 3.172 20 0 FGADHM O[C@H](C[C@H]1CCCCCN1c1cccc(F)c1-c1nnn[n-]1)c1ccco1 ZINC000823672104 607048377 /nfs/dbraw/zinc/04/83/77/607048377.db2.gz AMLPWTIPAUEGQD-CZUORRHYSA-N -1 3 371.416 3.472 20 0 FGADHM O[C@H](C[C@H]1CCCCCN1c1cccc(F)c1-c1nn[n-]n1)c1ccco1 ZINC000823672104 607048378 /nfs/dbraw/zinc/04/83/78/607048378.db2.gz AMLPWTIPAUEGQD-CZUORRHYSA-N -1 3 371.416 3.472 20 0 FGADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000822332624 607048400 /nfs/dbraw/zinc/04/84/00/607048400.db2.gz QGRWILJAQQPYMT-CXAGYDPISA-N -1 3 374.452 3.007 20 0 FGADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000822332624 607048402 /nfs/dbraw/zinc/04/84/02/607048402.db2.gz QGRWILJAQQPYMT-CXAGYDPISA-N -1 3 374.452 3.007 20 0 FGADHM Fc1ccc2c(c1)[C@@H](NCc1ccc(-c3nn[n-]n3)cc1F)CCCO2 ZINC000822782895 607058510 /nfs/dbraw/zinc/05/85/10/607058510.db2.gz LCSZWJVVOYIZDL-INIZCTEOSA-N -1 3 357.364 3.148 20 0 FGADHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)c1ccc(F)cc1Cl ZINC000823418956 607074972 /nfs/dbraw/zinc/07/49/72/607074972.db2.gz ZSFITGXPQJDUSQ-UHFFFAOYSA-N -1 3 350.712 3.155 20 0 FGADHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)c1ccc(F)cc1Cl ZINC000823418956 607074974 /nfs/dbraw/zinc/07/49/74/607074974.db2.gz ZSFITGXPQJDUSQ-UHFFFAOYSA-N -1 3 350.712 3.155 20 0 FGADHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)c1ccc(-c2cnco2)cc1 ZINC000823418219 607079601 /nfs/dbraw/zinc/07/96/01/607079601.db2.gz NTEMQGHXSRGCDK-UHFFFAOYSA-N -1 3 365.324 3.018 20 0 FGADHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)c1ccc(-c2cnco2)cc1 ZINC000823418219 607079602 /nfs/dbraw/zinc/07/96/02/607079602.db2.gz NTEMQGHXSRGCDK-UHFFFAOYSA-N -1 3 365.324 3.018 20 0 FGADHM CC(C)(C(=O)OCc1cc(F)ccc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000819891562 607081936 /nfs/dbraw/zinc/08/19/36/607081936.db2.gz AWJJWCQYZMGLJD-UHFFFAOYSA-N -1 3 358.348 3.166 20 0 FGADHM CC(C)(C(=O)OCc1cc(F)ccc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000819891562 607081938 /nfs/dbraw/zinc/08/19/38/607081938.db2.gz AWJJWCQYZMGLJD-UHFFFAOYSA-N -1 3 358.348 3.166 20 0 FGADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CCCc1cccs1 ZINC000821304501 607102043 /nfs/dbraw/zinc/10/20/43/607102043.db2.gz IAZDTIDUIKHPGE-UHFFFAOYSA-N -1 3 356.455 3.321 20 0 FGADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1nccc2ccccc21 ZINC000821308470 607102516 /nfs/dbraw/zinc/10/25/16/607102516.db2.gz ARISJQYQLFOIHC-UHFFFAOYSA-N -1 3 359.393 3.099 20 0 FGADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)N(C1CC1)C1CCCCC1 ZINC000823235076 607107625 /nfs/dbraw/zinc/10/76/25/607107625.db2.gz RBYCDRKBBGBZIV-UHFFFAOYSA-N -1 3 358.421 3.013 20 0 FGADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)N(C1CC1)C1CCCCC1 ZINC000823235076 607107626 /nfs/dbraw/zinc/10/76/26/607107626.db2.gz RBYCDRKBBGBZIV-UHFFFAOYSA-N -1 3 358.421 3.013 20 0 FGADHM CCO[C@@H](CC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2)C(C)C ZINC000821351885 607148052 /nfs/dbraw/zinc/14/80/52/607148052.db2.gz WMPYITDRYTZGRU-LBPRGKRZSA-N -1 3 363.487 3.197 20 0 FGADHM CCO[C@@H](CC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2)C(C)C ZINC000821351885 607148053 /nfs/dbraw/zinc/14/80/53/607148053.db2.gz WMPYITDRYTZGRU-LBPRGKRZSA-N -1 3 363.487 3.197 20 0 FGADHM CCO[C@H](CC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2)C(C)C ZINC000821351884 607148126 /nfs/dbraw/zinc/14/81/26/607148126.db2.gz WMPYITDRYTZGRU-GFCCVEGCSA-N -1 3 363.487 3.197 20 0 FGADHM CCO[C@H](CC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2)C(C)C ZINC000821351884 607148128 /nfs/dbraw/zinc/14/81/28/607148128.db2.gz WMPYITDRYTZGRU-GFCCVEGCSA-N -1 3 363.487 3.197 20 0 FGADHM CCS[C@H](C)c1noc(COc2ccc(-c3nnn[n-]3)cc2Cl)n1 ZINC000821446620 607161095 /nfs/dbraw/zinc/16/10/95/607161095.db2.gz BITKKXQYKMCXSS-MRVPVSSYSA-N -1 3 366.834 3.296 20 0 FGADHM CCS[C@H](C)c1noc(COc2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000821446620 607161096 /nfs/dbraw/zinc/16/10/96/607161096.db2.gz BITKKXQYKMCXSS-MRVPVSSYSA-N -1 3 366.834 3.296 20 0 FGADHM O=C(COc1ccc(-c2nnn[n-]2)cc1F)c1ccc2c(c1)CCCC2 ZINC000823040820 607171183 /nfs/dbraw/zinc/17/11/83/607171183.db2.gz PQIFXTWAMGUJTG-UHFFFAOYSA-N -1 3 352.369 3.146 20 0 FGADHM O=C(COc1ccc(-c2nn[n-]n2)cc1F)c1ccc2c(c1)CCCC2 ZINC000823040820 607171184 /nfs/dbraw/zinc/17/11/84/607171184.db2.gz PQIFXTWAMGUJTG-UHFFFAOYSA-N -1 3 352.369 3.146 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)[C@@H]1SCCc2ccccc21 ZINC000823313609 607191226 /nfs/dbraw/zinc/19/12/26/607191226.db2.gz GEEOYYGGGOBXNG-OAHLLOKOSA-N -1 3 371.853 3.489 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)[C@@H]1SCCc2ccccc21 ZINC000823313609 607191227 /nfs/dbraw/zinc/19/12/27/607191227.db2.gz GEEOYYGGGOBXNG-OAHLLOKOSA-N -1 3 371.853 3.489 20 0 FGADHM CCc1ccccc1CNC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821492511 607197155 /nfs/dbraw/zinc/19/71/55/607197155.db2.gz OXPIQMTULNPCNO-UHFFFAOYSA-N -1 3 356.817 3.404 20 0 FGADHM CCc1ccccc1CNC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821492511 607197156 /nfs/dbraw/zinc/19/71/56/607197156.db2.gz OXPIQMTULNPCNO-UHFFFAOYSA-N -1 3 356.817 3.404 20 0 FGADHM COc1cccc(CN(C)C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000821867372 607202655 /nfs/dbraw/zinc/20/26/55/607202655.db2.gz DLMIGRWRFPFBIL-UHFFFAOYSA-N -1 3 372.816 3.193 20 0 FGADHM COc1cccc(CN(C)C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000821867372 607202656 /nfs/dbraw/zinc/20/26/56/607202656.db2.gz DLMIGRWRFPFBIL-UHFFFAOYSA-N -1 3 372.816 3.193 20 0 FGADHM COc1cc(NC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc(OC)c1 ZINC000821719648 607204611 /nfs/dbraw/zinc/20/46/11/607204611.db2.gz GVKFMIQABYBNTG-UHFFFAOYSA-N -1 3 374.788 3.181 20 0 FGADHM COc1cc(NC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc(OC)c1 ZINC000821719648 607204612 /nfs/dbraw/zinc/20/46/12/607204612.db2.gz GVKFMIQABYBNTG-UHFFFAOYSA-N -1 3 374.788 3.181 20 0 FGADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cccc2cccnc21 ZINC000820001388 607235489 /nfs/dbraw/zinc/23/54/89/607235489.db2.gz KPVCCAJJONJRDB-UHFFFAOYSA-N -1 3 374.404 3.211 20 0 FGADHM COc1ccc(C(C)(C)C(=O)Nc2sc(C)c(C)c2-c2nnn[n-]2)cc1 ZINC000821772851 607235895 /nfs/dbraw/zinc/23/58/95/607235895.db2.gz SOUSXOGYJMGQEP-UHFFFAOYSA-N -1 3 371.466 3.470 20 0 FGADHM COc1ccc(C(C)(C)C(=O)Nc2sc(C)c(C)c2-c2nn[n-]n2)cc1 ZINC000821772851 607235896 /nfs/dbraw/zinc/23/58/96/607235896.db2.gz SOUSXOGYJMGQEP-UHFFFAOYSA-N -1 3 371.466 3.470 20 0 FGADHM CO[C@](C)(C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)c1ccccc1 ZINC000821672664 607240365 /nfs/dbraw/zinc/24/03/65/607240365.db2.gz SXZLFMQUBNRRGQ-KRWDZBQOSA-N -1 3 357.801 3.020 20 0 FGADHM CO[C@](C)(C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)c1ccccc1 ZINC000821672664 607240366 /nfs/dbraw/zinc/24/03/66/607240366.db2.gz SXZLFMQUBNRRGQ-KRWDZBQOSA-N -1 3 357.801 3.020 20 0 FGADHM O=C(C=Cc1nc2ccccc2s1)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000822937042 607245558 /nfs/dbraw/zinc/24/55/58/607245558.db2.gz ZBCULACFXLZWEW-FPLPWBNLSA-N -1 3 367.365 3.234 20 0 FGADHM O=C(C=Cc1nc2ccccc2s1)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000822937042 607245559 /nfs/dbraw/zinc/24/55/59/607245559.db2.gz ZBCULACFXLZWEW-FPLPWBNLSA-N -1 3 367.365 3.234 20 0 FGADHM C[C@@H](CCOc1ccccc1)C(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000820249683 607249213 /nfs/dbraw/zinc/24/92/13/607249213.db2.gz YMYWVLLZBFQIIU-LBPRGKRZSA-N -1 3 356.357 3.016 20 0 FGADHM C[C@@H](CCOc1ccccc1)C(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000820249683 607249214 /nfs/dbraw/zinc/24/92/14/607249214.db2.gz YMYWVLLZBFQIIU-LBPRGKRZSA-N -1 3 356.357 3.016 20 0 FGADHM C[C@H](OC(=O)CCc1ccc(F)cc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000824712930 607779022 /nfs/dbraw/zinc/77/90/22/607779022.db2.gz FJYJIABYYJTUQN-NSHDSACASA-N -1 3 358.348 3.382 20 0 FGADHM C[C@H](OC(=O)CCc1ccc(F)cc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000824712930 607779023 /nfs/dbraw/zinc/77/90/23/607779023.db2.gz FJYJIABYYJTUQN-NSHDSACASA-N -1 3 358.348 3.382 20 0 FGADHM CN(C(=O)c1cccc(OC(F)(F)F)c1)c1ccccc1-c1nnn[n-]1 ZINC000825830262 607790782 /nfs/dbraw/zinc/79/07/82/607790782.db2.gz QRPDGJVVDJTSBR-UHFFFAOYSA-N -1 3 363.299 3.042 20 0 FGADHM CN(C(=O)c1cccc(OC(F)(F)F)c1)c1ccccc1-c1nn[n-]n1 ZINC000825830262 607790783 /nfs/dbraw/zinc/79/07/83/607790783.db2.gz QRPDGJVVDJTSBR-UHFFFAOYSA-N -1 3 363.299 3.042 20 0 FGADHM CC(C)(CNC(=O)CSCc1ccc(-c2nnn[n-]2)cc1)C1CCCC1 ZINC000824157487 607794390 /nfs/dbraw/zinc/79/43/90/607794390.db2.gz HFMJXEZUBNMPMZ-UHFFFAOYSA-N -1 3 373.526 3.433 20 0 FGADHM CC(C)(CNC(=O)CSCc1ccc(-c2nn[n-]n2)cc1)C1CCCC1 ZINC000824157487 607794391 /nfs/dbraw/zinc/79/43/91/607794391.db2.gz HFMJXEZUBNMPMZ-UHFFFAOYSA-N -1 3 373.526 3.433 20 0 FGADHM O=C(Cc1cc2c(ccc3ccccc23)o1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000826421298 607795053 /nfs/dbraw/zinc/79/50/53/607795053.db2.gz ARBGVNDTRBXGRV-UHFFFAOYSA-N -1 3 370.372 3.342 20 0 FGADHM O=C(Cc1cc2c(ccc3ccccc23)o1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000826421298 607795054 /nfs/dbraw/zinc/79/50/54/607795054.db2.gz ARBGVNDTRBXGRV-UHFFFAOYSA-N -1 3 370.372 3.342 20 0 FGADHM CCN(C(=O)CCOc1cc(C)ccc1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825371969 607795488 /nfs/dbraw/zinc/79/54/88/607795488.db2.gz OYLQTGVIIAURNW-UHFFFAOYSA-N -1 3 365.437 3.306 20 0 FGADHM CCN(C(=O)CCOc1cc(C)ccc1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825371969 607795489 /nfs/dbraw/zinc/79/54/89/607795489.db2.gz OYLQTGVIIAURNW-UHFFFAOYSA-N -1 3 365.437 3.306 20 0 FGADHM CC(C)(C)SCCCC(=O)OCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000824124457 607826254 /nfs/dbraw/zinc/82/62/54/607826254.db2.gz UALGITUYABAHDM-UHFFFAOYSA-N -1 3 364.471 3.101 20 0 FGADHM Cc1noc(C)c1[C@@H](C)CC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826338107 607826604 /nfs/dbraw/zinc/82/66/04/607826604.db2.gz LFKIMXNMEFCIKB-QMMMGPOBSA-N -1 3 360.805 3.257 20 0 FGADHM Cc1noc(C)c1[C@@H](C)CC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826338107 607826605 /nfs/dbraw/zinc/82/66/05/607826605.db2.gz LFKIMXNMEFCIKB-QMMMGPOBSA-N -1 3 360.805 3.257 20 0 FGADHM CC(C)(C)O[C@@H](C(=O)OCc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000824119688 607826859 /nfs/dbraw/zinc/82/68/59/607826859.db2.gz OEPMVAACQCMUFG-QGZVFWFLSA-N -1 3 366.421 3.466 20 0 FGADHM CC(C)(C)O[C@@H](C(=O)OCc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000824119688 607826860 /nfs/dbraw/zinc/82/68/60/607826860.db2.gz OEPMVAACQCMUFG-QGZVFWFLSA-N -1 3 366.421 3.466 20 0 FGADHM CN(C(=O)CCCSC(C)(C)C)c1ccc(-c2nnn[n-]2)cc1F ZINC000825818021 607827011 /nfs/dbraw/zinc/82/70/11/607827011.db2.gz SNAHYZCGQGLUOH-UHFFFAOYSA-N -1 3 351.451 3.281 20 0 FGADHM CN(C(=O)CCCSC(C)(C)C)c1ccc(-c2nn[n-]n2)cc1F ZINC000825818021 607827012 /nfs/dbraw/zinc/82/70/12/607827012.db2.gz SNAHYZCGQGLUOH-UHFFFAOYSA-N -1 3 351.451 3.281 20 0 FGADHM COc1ccc(NC(=O)c2c(Cl)cc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000826209876 607832961 /nfs/dbraw/zinc/83/29/61/607832961.db2.gz VFTCITQAUGJJRM-UHFFFAOYSA-N -1 3 364.192 3.434 20 0 FGADHM COc1ccc(NC(=O)c2c(Cl)cc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000826209876 607832962 /nfs/dbraw/zinc/83/29/62/607832962.db2.gz VFTCITQAUGJJRM-UHFFFAOYSA-N -1 3 364.192 3.434 20 0 FGADHM COCC[C@H](C)OC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000826154081 607836798 /nfs/dbraw/zinc/83/67/98/607836798.db2.gz HRZRFJFLFILTKB-ZDUSSCGKSA-N -1 3 352.394 3.116 20 0 FGADHM COCC[C@H](C)OC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000826154081 607836799 /nfs/dbraw/zinc/83/67/99/607836799.db2.gz HRZRFJFLFILTKB-ZDUSSCGKSA-N -1 3 352.394 3.116 20 0 FGADHM CC(C)CN(C(=O)CSc1ccc(-c2nnn[n-]2)cc1Cl)C1CC1 ZINC000824248952 607843617 /nfs/dbraw/zinc/84/36/17/607843617.db2.gz FGZIIPDLPNXTIH-UHFFFAOYSA-N -1 3 365.890 3.259 20 0 FGADHM CC(C)CN(C(=O)CSc1ccc(-c2nn[n-]n2)cc1Cl)C1CC1 ZINC000824248952 607843618 /nfs/dbraw/zinc/84/36/18/607843618.db2.gz FGZIIPDLPNXTIH-UHFFFAOYSA-N -1 3 365.890 3.259 20 0 FGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1Cl)Nc1ccccc1F ZINC000826421118 607845201 /nfs/dbraw/zinc/84/52/01/607845201.db2.gz SKMOFDOBKPWDRD-UHFFFAOYSA-N -1 3 363.805 3.390 20 0 FGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1Cl)Nc1ccccc1F ZINC000826421118 607845202 /nfs/dbraw/zinc/84/52/02/607845202.db2.gz SKMOFDOBKPWDRD-UHFFFAOYSA-N -1 3 363.805 3.390 20 0 FGADHM FC(F)(F)c1ccc(N2CC[C@H](C3CCOCC3)C2)c(-c2nnn[n-]2)c1 ZINC000826368066 607851227 /nfs/dbraw/zinc/85/12/27/607851227.db2.gz AJJYDOHOLJVXRN-LBPRGKRZSA-N -1 3 367.375 3.138 20 0 FGADHM FC(F)(F)c1ccc(N2CC[C@H](C3CCOCC3)C2)c(-c2nn[n-]n2)c1 ZINC000826368066 607851228 /nfs/dbraw/zinc/85/12/28/607851228.db2.gz AJJYDOHOLJVXRN-LBPRGKRZSA-N -1 3 367.375 3.138 20 0 FGADHM O=c1[nH]c(C(Cl)=Cc2ccccc2-c2nnn[n-]2)nc2ccccc12 ZINC000826500776 607884059 /nfs/dbraw/zinc/88/40/59/607884059.db2.gz LUPRTDLMGGUSES-LCYFTJDESA-N -1 3 350.769 3.252 20 0 FGADHM O=c1[nH]c(C(Cl)=Cc2ccccc2-c2nn[n-]n2)nc2ccccc12 ZINC000826500776 607884060 /nfs/dbraw/zinc/88/40/60/607884060.db2.gz LUPRTDLMGGUSES-LCYFTJDESA-N -1 3 350.769 3.252 20 0 FGADHM O=C(COC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)c1cccc(-c2nnn[n-]2)c1 ZINC000826415707 607918475 /nfs/dbraw/zinc/91/84/75/607918475.db2.gz PCKBYDLOSOPBRO-JJRVBVJISA-N -1 3 368.437 3.199 20 0 FGADHM O=C(COC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)c1cccc(-c2nn[n-]n2)c1 ZINC000826415707 607918476 /nfs/dbraw/zinc/91/84/76/607918476.db2.gz PCKBYDLOSOPBRO-JJRVBVJISA-N -1 3 368.437 3.199 20 0 FGADHM C[C@H](Cc1cccc(Cl)c1)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000824457278 607926917 /nfs/dbraw/zinc/92/69/17/607926917.db2.gz IUAHXOFGTOOTHF-SNVBAGLBSA-N -1 3 359.792 3.477 20 0 FGADHM C[C@H](Cc1cccc(Cl)c1)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000824457278 607926918 /nfs/dbraw/zinc/92/69/18/607926918.db2.gz IUAHXOFGTOOTHF-SNVBAGLBSA-N -1 3 359.792 3.477 20 0 FGADHM O=C(Nc1ccccc1C(F)(F)F)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826457652 607932103 /nfs/dbraw/zinc/93/21/03/607932103.db2.gz KMOCVQBJPODXMU-UHFFFAOYSA-N -1 3 374.326 3.480 20 0 FGADHM O=C(Nc1ccccc1C(F)(F)F)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826457652 607932104 /nfs/dbraw/zinc/93/21/04/607932104.db2.gz KMOCVQBJPODXMU-UHFFFAOYSA-N -1 3 374.326 3.480 20 0 FGADHM C[C@H](Cc1cccc(Cl)c1)C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000824457811 607948421 /nfs/dbraw/zinc/94/84/21/607948421.db2.gz SLNASLYACMHARC-GFCCVEGCSA-N -1 3 367.840 3.288 20 0 FGADHM C[C@H](Cc1cccc(Cl)c1)C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000824457811 607948422 /nfs/dbraw/zinc/94/84/22/607948422.db2.gz SLNASLYACMHARC-GFCCVEGCSA-N -1 3 367.840 3.288 20 0 FGADHM Cc1c2cc(C)ccc2[nH]c1C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826293666 607950285 /nfs/dbraw/zinc/95/02/85/607950285.db2.gz XPFMUTYSVQWXPS-UHFFFAOYSA-N -1 3 358.405 3.168 20 0 FGADHM Cc1c2cc(C)ccc2[nH]c1C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826293666 607950286 /nfs/dbraw/zinc/95/02/86/607950286.db2.gz XPFMUTYSVQWXPS-UHFFFAOYSA-N -1 3 358.405 3.168 20 0 FGADHM Cc1cc(C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)c(Cl)cc1F ZINC000826258591 607952519 /nfs/dbraw/zinc/95/25/19/607952519.db2.gz PALRDUQMTQZODI-UHFFFAOYSA-N -1 3 357.776 3.171 20 0 FGADHM Cc1cc(C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)c(Cl)cc1F ZINC000826258591 607952520 /nfs/dbraw/zinc/95/25/20/607952520.db2.gz PALRDUQMTQZODI-UHFFFAOYSA-N -1 3 357.776 3.171 20 0 FGADHM O=C(c1cc2cccc(Cl)c2o1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826470527 607954566 /nfs/dbraw/zinc/95/45/66/607954566.db2.gz SYOULFOTTPRQJP-UHFFFAOYSA-N -1 3 365.780 3.469 20 0 FGADHM O=C(c1cc2cccc(Cl)c2o1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826470527 607954567 /nfs/dbraw/zinc/95/45/67/607954567.db2.gz SYOULFOTTPRQJP-UHFFFAOYSA-N -1 3 365.780 3.469 20 0 FGADHM CCc1c(NC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cnn1CC(C)C ZINC000825694645 607961059 /nfs/dbraw/zinc/96/10/59/607961059.db2.gz XVEZOVFLSCRKTB-UHFFFAOYSA-N -1 3 372.408 3.065 20 0 FGADHM CCc1c(NC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cnn1CC(C)C ZINC000825694645 607961060 /nfs/dbraw/zinc/96/10/60/607961060.db2.gz XVEZOVFLSCRKTB-UHFFFAOYSA-N -1 3 372.408 3.065 20 0 FGADHM O=C(c1nc(-c2ccccc2)cs1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826475043 607964493 /nfs/dbraw/zinc/96/44/93/607964493.db2.gz QEXKKGLXDMXOEP-UHFFFAOYSA-N -1 3 374.429 3.193 20 0 FGADHM O=C(c1nc(-c2ccccc2)cs1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826475043 607964494 /nfs/dbraw/zinc/96/44/94/607964494.db2.gz QEXKKGLXDMXOEP-UHFFFAOYSA-N -1 3 374.429 3.193 20 0 FGADHM CC(=Cc1cccc(Cl)c1)C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000759028462 607970282 /nfs/dbraw/zinc/97/02/82/607970282.db2.gz PQNSQIVBTDYHMD-FMIVXFBMSA-N -1 3 353.813 3.240 20 0 FGADHM CC(=Cc1cccc(Cl)c1)C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000759028462 607970283 /nfs/dbraw/zinc/97/02/83/607970283.db2.gz PQNSQIVBTDYHMD-FMIVXFBMSA-N -1 3 353.813 3.240 20 0 FGADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1-c1ccc(Br)cn1 ZINC000825782584 607975738 /nfs/dbraw/zinc/97/57/38/607975738.db2.gz HPPYHFOFMXBLSX-UHFFFAOYSA-N -1 3 370.214 3.061 20 0 FGADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1ccc(Br)cn1 ZINC000825782584 607975739 /nfs/dbraw/zinc/97/57/39/607975739.db2.gz HPPYHFOFMXBLSX-UHFFFAOYSA-N -1 3 370.214 3.061 20 0 FGADHM COc1ccccc1CNc1ccc(-c2nn[n-]n2)cc1Br ZINC000826220132 607987783 /nfs/dbraw/zinc/98/77/83/607987783.db2.gz CYOHXQPDPVJGPU-UHFFFAOYSA-N -1 3 360.215 3.250 20 0 FGADHM Cc1ccc(-c2ncco2)cc1NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000826273854 608004113 /nfs/dbraw/zinc/00/41/13/608004113.db2.gz XDGKEFNDFBOVMB-UHFFFAOYSA-N -1 3 352.379 3.144 20 0 FGADHM Cc1ccc(-c2ncco2)cc1NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000826273854 608004114 /nfs/dbraw/zinc/00/41/14/608004114.db2.gz XDGKEFNDFBOVMB-UHFFFAOYSA-N -1 3 352.379 3.144 20 0 FGADHM C[C@H](OC(=O)C=Cc1ccc(Cl)nc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824712945 608006322 /nfs/dbraw/zinc/00/63/22/608006322.db2.gz FMOFZGWVRAIUBV-QSADENFPSA-N -1 3 355.785 3.233 20 0 FGADHM C[C@H](OC(=O)C=Cc1ccc(Cl)nc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824712945 608006323 /nfs/dbraw/zinc/00/63/23/608006323.db2.gz FMOFZGWVRAIUBV-QSADENFPSA-N -1 3 355.785 3.233 20 0 FGADHM CC[C@@H](C)n1ncc(C(=O)OCc2ccccc2-c2nnn[n-]2)c1C1CC1 ZINC000825082634 608029814 /nfs/dbraw/zinc/02/98/14/608029814.db2.gz UCYNCDAKJPLZKT-GFCCVEGCSA-N -1 3 366.425 3.269 20 0 FGADHM CC[C@@H](C)n1ncc(C(=O)OCc2ccccc2-c2nn[n-]n2)c1C1CC1 ZINC000825082634 608029815 /nfs/dbraw/zinc/02/98/15/608029815.db2.gz UCYNCDAKJPLZKT-GFCCVEGCSA-N -1 3 366.425 3.269 20 0 FGADHM CCCNC(=O)c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000825332609 608047097 /nfs/dbraw/zinc/04/70/97/608047097.db2.gz JYTHYWKLUMJNTP-UHFFFAOYSA-N -1 3 357.801 3.452 20 0 FGADHM CCCNC(=O)c1ccc(Oc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000825332609 608047098 /nfs/dbraw/zinc/04/70/98/608047098.db2.gz JYTHYWKLUMJNTP-UHFFFAOYSA-N -1 3 357.801 3.452 20 0 FGADHM Cc1ncc(CN(C)c2ccc(-c3nn[n-]n3)cc2Br)s1 ZINC000826329443 608048151 /nfs/dbraw/zinc/04/81/51/608048151.db2.gz DHSXLSWPNQYKND-UHFFFAOYSA-N -1 3 365.260 3.031 20 0 FGADHM Brc1cc(-c2nn[n-]n2)ccc1N1CCc2ccsc2C1 ZINC000823826451 608051799 /nfs/dbraw/zinc/05/17/99/608051799.db2.gz JKRGIXJGQINNCQ-UHFFFAOYSA-N -1 3 362.256 3.253 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1CSc1ncnc2sc(C)cc21 ZINC000826184627 608056437 /nfs/dbraw/zinc/05/64/37/608056437.db2.gz DZRMGRVVBPSZJU-UHFFFAOYSA-N -1 3 370.463 3.481 20 0 FGADHM CCC(CC)[C@H](C)C(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000825095076 608062729 /nfs/dbraw/zinc/06/27/29/608062729.db2.gz CVRNWAAFVDFBIE-AWEZNQCLSA-N -1 3 371.485 3.309 20 0 FGADHM CCC(CC)[C@H](C)C(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000825095076 608062730 /nfs/dbraw/zinc/06/27/30/608062730.db2.gz CVRNWAAFVDFBIE-AWEZNQCLSA-N -1 3 371.485 3.309 20 0 FGADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Oc1ccc(Cl)c(F)c1 ZINC000824756843 608073877 /nfs/dbraw/zinc/07/38/77/608073877.db2.gz QIRIWBCXTIDDTJ-SECBINFHSA-N -1 3 362.748 3.032 20 0 FGADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Oc1ccc(Cl)c(F)c1 ZINC000824756843 608073878 /nfs/dbraw/zinc/07/38/78/608073878.db2.gz QIRIWBCXTIDDTJ-SECBINFHSA-N -1 3 362.748 3.032 20 0 FGADHM CCCCCC(C)(C)C(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000825266360 608081626 /nfs/dbraw/zinc/08/16/26/608081626.db2.gz FHRLCNWWPUPWSM-KRWDZBQOSA-N -1 3 371.485 3.373 20 0 FGADHM CCCCCC(C)(C)C(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000825266360 608081627 /nfs/dbraw/zinc/08/16/27/608081627.db2.gz FHRLCNWWPUPWSM-KRWDZBQOSA-N -1 3 371.485 3.373 20 0 FGADHM O=C(O[C@@H]1CCOc2c(Cl)cccc21)c1sccc1-c1nnn[n-]1 ZINC000826463056 608128889 /nfs/dbraw/zinc/12/88/89/608128889.db2.gz QWNKJBWPHPEJCA-LLVKDONJSA-N -1 3 362.798 3.262 20 0 FGADHM FC(F)COc1ncccc1CNc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826369599 608150488 /nfs/dbraw/zinc/15/04/88/608150488.db2.gz JQASCIKDXVEZHN-UHFFFAOYSA-N -1 3 366.759 3.171 20 0 FGADHM FC(F)COc1ncccc1CNc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826369599 608150489 /nfs/dbraw/zinc/15/04/89/608150489.db2.gz JQASCIKDXVEZHN-UHFFFAOYSA-N -1 3 366.759 3.171 20 0 FGADHM CCN(C(=O)c1cc(C(C)C)on1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825380551 608152821 /nfs/dbraw/zinc/15/28/21/608152821.db2.gz QONDKNBMUJUZGG-LBPRGKRZSA-N -1 3 354.414 3.201 20 0 FGADHM CCN(C(=O)c1cc(C(C)C)on1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825380551 608152823 /nfs/dbraw/zinc/15/28/23/608152823.db2.gz QONDKNBMUJUZGG-LBPRGKRZSA-N -1 3 354.414 3.201 20 0 FGADHM Fc1ccc(CSCc2ncn(-c3ccccc3)n2)c(-c2nnn[n-]2)c1 ZINC000826374488 608154611 /nfs/dbraw/zinc/15/46/11/608154611.db2.gz AMODINUDIXDULD-UHFFFAOYSA-N -1 3 367.413 3.020 20 0 FGADHM Fc1ccc(CSCc2ncn(-c3ccccc3)n2)c(-c2nn[n-]n2)c1 ZINC000826374488 608154613 /nfs/dbraw/zinc/15/46/13/608154613.db2.gz AMODINUDIXDULD-UHFFFAOYSA-N -1 3 367.413 3.020 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NCC1(Cc2ccc(F)cc2)CC1 ZINC000826248045 608163636 /nfs/dbraw/zinc/16/36/36/608163636.db2.gz UWGZJKLKSDOZHQ-UHFFFAOYSA-N -1 3 365.412 3.067 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NCC1(Cc2ccc(F)cc2)CC1 ZINC000826248045 608163638 /nfs/dbraw/zinc/16/36/38/608163638.db2.gz UWGZJKLKSDOZHQ-UHFFFAOYSA-N -1 3 365.412 3.067 20 0 FGADHM CCc1ccc(C(=O)Nc2nc3cc(-c4nnn[n-]4)ccc3n2CC)cc1 ZINC000825705041 608175208 /nfs/dbraw/zinc/17/52/08/608175208.db2.gz UUYYYUYPVLIXAT-UHFFFAOYSA-N -1 3 361.409 3.051 20 0 FGADHM CCc1ccc(C(=O)Nc2nc3cc(-c4nn[n-]n4)ccc3n2CC)cc1 ZINC000825705041 608175210 /nfs/dbraw/zinc/17/52/10/608175210.db2.gz UUYYYUYPVLIXAT-UHFFFAOYSA-N -1 3 361.409 3.051 20 0 FGADHM Fc1ccc2ncnc(N(Cc3ccc(-c4nnn[n-]4)cc3)C3CC3)c2c1 ZINC000826375952 608181616 /nfs/dbraw/zinc/18/16/16/608181616.db2.gz ISGAZNNWOIIHIZ-UHFFFAOYSA-N -1 3 361.384 3.118 20 0 FGADHM Fc1ccc2ncnc(N(Cc3ccc(-c4nn[n-]n4)cc3)C3CC3)c2c1 ZINC000826375952 608181618 /nfs/dbraw/zinc/18/16/18/608181618.db2.gz ISGAZNNWOIIHIZ-UHFFFAOYSA-N -1 3 361.384 3.118 20 0 FGADHM CN(C(=O)CSc1cccc(Cl)c1-c1nnn[n-]1)c1ccccc1 ZINC000825820658 608205966 /nfs/dbraw/zinc/20/59/66/608205966.db2.gz OBJSPQXTKRZUFL-UHFFFAOYSA-N -1 3 359.842 3.275 20 0 FGADHM CN(C(=O)CSc1cccc(Cl)c1-c1nn[n-]n1)c1ccccc1 ZINC000825820658 608205967 /nfs/dbraw/zinc/20/59/67/608205967.db2.gz OBJSPQXTKRZUFL-UHFFFAOYSA-N -1 3 359.842 3.275 20 0 FGADHM O=C(CSc1cccc(Cl)c1-c1nnn[n-]1)Nc1ccccc1F ZINC000826421214 608208299 /nfs/dbraw/zinc/20/82/99/608208299.db2.gz XDJGJIAORUKUSJ-UHFFFAOYSA-N -1 3 363.805 3.390 20 0 FGADHM O=C(CSc1cccc(Cl)c1-c1nn[n-]n1)Nc1ccccc1F ZINC000826421214 608208300 /nfs/dbraw/zinc/20/83/00/608208300.db2.gz XDJGJIAORUKUSJ-UHFFFAOYSA-N -1 3 363.805 3.390 20 0 FGADHM CCN(CC)c1ccc(CNc2ccc3cc(-c4nnn[n-]4)ccc3n2)cn1 ZINC000825417580 608223041 /nfs/dbraw/zinc/22/30/41/608223041.db2.gz RTRPAFODXSCTGF-UHFFFAOYSA-N -1 3 374.452 3.268 20 0 FGADHM CCN(CC)c1ccc(CNc2ccc3cc(-c4nn[n-]n4)ccc3n2)cn1 ZINC000825417580 608223043 /nfs/dbraw/zinc/22/30/43/608223043.db2.gz RTRPAFODXSCTGF-UHFFFAOYSA-N -1 3 374.452 3.268 20 0 FGADHM c1ccc2c(c1)CC[C@@H](CNc1ccc3cc(-c4nnn[n-]4)ccc3n1)N2 ZINC000826523724 608227913 /nfs/dbraw/zinc/22/79/13/608227913.db2.gz VYARAYOTRXFHKA-INIZCTEOSA-N -1 3 357.421 3.254 20 0 FGADHM c1ccc2c(c1)CC[C@@H](CNc1ccc3cc(-c4nn[n-]n4)ccc3n1)N2 ZINC000826523724 608227915 /nfs/dbraw/zinc/22/79/15/608227915.db2.gz VYARAYOTRXFHKA-INIZCTEOSA-N -1 3 357.421 3.254 20 0 FGADHM c1ccc2c(c1)C[C@H]1[C@@H]2[C@H]1CNc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000826523631 608233694 /nfs/dbraw/zinc/23/36/94/608233694.db2.gz SBHPRGDDJBWCRJ-FUHIMQAGSA-N -1 3 354.417 3.413 20 0 FGADHM c1ccc2c(c1)C[C@H]1[C@@H]2[C@H]1CNc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000826523631 608233696 /nfs/dbraw/zinc/23/36/96/608233696.db2.gz SBHPRGDDJBWCRJ-FUHIMQAGSA-N -1 3 354.417 3.413 20 0 FGADHM COc1ccc([C@H](OC)[C@H](C)Nc2nc(C)cc(C)c2-c2nnn[n-]2)cc1 ZINC000826189734 608239070 /nfs/dbraw/zinc/23/90/70/608239070.db2.gz CYJOTCIEIAEITD-SUMWQHHRSA-N -1 3 368.441 3.075 20 0 FGADHM COc1ccc([C@H](OC)[C@H](C)Nc2nc(C)cc(C)c2-c2nn[n-]n2)cc1 ZINC000826189734 608239071 /nfs/dbraw/zinc/23/90/71/608239071.db2.gz CYJOTCIEIAEITD-SUMWQHHRSA-N -1 3 368.441 3.075 20 0 FGADHM C[C@H](NC(=O)C=Cc1ccc2[nH]ccc2c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824477935 608242554 /nfs/dbraw/zinc/24/25/54/608242554.db2.gz DCGAYFKSESZEFR-CFNZNRNTSA-N -1 3 358.405 3.239 20 0 FGADHM C[C@H](NC(=O)C=Cc1ccc2[nH]ccc2c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824477935 608242555 /nfs/dbraw/zinc/24/25/55/608242555.db2.gz DCGAYFKSESZEFR-CFNZNRNTSA-N -1 3 358.405 3.239 20 0 FGADHM CC(C)Cn1ncc(NC(=O)Nc2ccc(-c3nnn[n-]3)cc2)c1C(C)C ZINC000824284693 608265270 /nfs/dbraw/zinc/26/52/70/608265270.db2.gz MZFZCCBZIAHPOB-UHFFFAOYSA-N -1 3 368.445 3.487 20 0 FGADHM CC(C)Cn1ncc(NC(=O)Nc2ccc(-c3nn[n-]n3)cc2)c1C(C)C ZINC000824284693 608265272 /nfs/dbraw/zinc/26/52/72/608265272.db2.gz MZFZCCBZIAHPOB-UHFFFAOYSA-N -1 3 368.445 3.487 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H](C)c1cccc(F)c1F ZINC000826278197 608272865 /nfs/dbraw/zinc/27/28/65/608272865.db2.gz UBNPZSCFKMKANE-JTQLQIEISA-N -1 3 358.352 3.336 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@H](C)c1cccc(F)c1F ZINC000826278197 608272867 /nfs/dbraw/zinc/27/28/67/608272867.db2.gz UBNPZSCFKMKANE-JTQLQIEISA-N -1 3 358.352 3.336 20 0 FGADHM COc1ccccc1CC1CCN(c2nc(C)ccc2-c2nnn[n-]2)CC1 ZINC000826219962 608281696 /nfs/dbraw/zinc/28/16/96/608281696.db2.gz XKEHQFNBRWBEFT-UHFFFAOYSA-N -1 3 364.453 3.038 20 0 FGADHM COc1ccccc1CC1CCN(c2nc(C)ccc2-c2nn[n-]n2)CC1 ZINC000826219962 608281697 /nfs/dbraw/zinc/28/16/97/608281697.db2.gz XKEHQFNBRWBEFT-UHFFFAOYSA-N -1 3 364.453 3.038 20 0 FGADHM CC(C)(C)OC(=O)CCCCNc1c(F)cc(-c2nnn[n-]2)cc1F ZINC000824098858 608294940 /nfs/dbraw/zinc/29/49/40/608294940.db2.gz CBUCZGIWLPWXSP-UHFFFAOYSA-N -1 3 353.373 3.069 20 0 FGADHM CC(C)(C)OC(=O)CCCCNc1c(F)cc(-c2nn[n-]n2)cc1F ZINC000824098858 608294942 /nfs/dbraw/zinc/29/49/42/608294942.db2.gz CBUCZGIWLPWXSP-UHFFFAOYSA-N -1 3 353.373 3.069 20 0 FGADHM c1c2c(nc(N[C@H]3CCOC4(CCCC4)C3)c1-c1nnn[n-]1)CCCC2 ZINC000826511981 608299084 /nfs/dbraw/zinc/29/90/84/608299084.db2.gz KWFZMUFQRYLDEX-AWEZNQCLSA-N -1 3 354.458 3.044 20 0 FGADHM c1c2c(nc(N[C@H]3CCOC4(CCCC4)C3)c1-c1nn[n-]n1)CCCC2 ZINC000826511981 608299086 /nfs/dbraw/zinc/29/90/86/608299086.db2.gz KWFZMUFQRYLDEX-AWEZNQCLSA-N -1 3 354.458 3.044 20 0 FGADHM CN(C(=O)c1cccc([C@H]2CCCOC2)c1)c1ccccc1-c1nnn[n-]1 ZINC000825829363 608309012 /nfs/dbraw/zinc/30/90/12/608309012.db2.gz CTQIWEDMZFUSSM-INIZCTEOSA-N -1 3 363.421 3.037 20 0 FGADHM CN(C(=O)c1cccc([C@H]2CCCOC2)c1)c1ccccc1-c1nn[n-]n1 ZINC000825829363 608309015 /nfs/dbraw/zinc/30/90/15/608309015.db2.gz CTQIWEDMZFUSSM-INIZCTEOSA-N -1 3 363.421 3.037 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1CNc1ccccc1OCC1CC1 ZINC000826170980 608321405 /nfs/dbraw/zinc/32/14/05/608321405.db2.gz XOVZJIJDDLZHKQ-UHFFFAOYSA-N -1 3 351.410 3.276 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1CNc1ccccc1OCC1CC1 ZINC000826170980 608321407 /nfs/dbraw/zinc/32/14/07/608321407.db2.gz XOVZJIJDDLZHKQ-UHFFFAOYSA-N -1 3 351.410 3.276 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1CSCc1nc(CCC(C)C)no1 ZINC000826173386 608322556 /nfs/dbraw/zinc/32/25/56/608322556.db2.gz BHYHTBJEFFJRSF-UHFFFAOYSA-N -1 3 374.470 3.280 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1CSCc1nc(CCC(C)C)no1 ZINC000826173386 608322558 /nfs/dbraw/zinc/32/25/58/608322558.db2.gz BHYHTBJEFFJRSF-UHFFFAOYSA-N -1 3 374.470 3.280 20 0 FGADHM CCc1cnccc1[C@H](C)NC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825733307 608337327 /nfs/dbraw/zinc/33/73/27/608337327.db2.gz BMOZOBBIDTWOHL-JTQLQIEISA-N -1 3 371.832 3.360 20 0 FGADHM CCc1cnccc1[C@H](C)NC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825733307 608337329 /nfs/dbraw/zinc/33/73/29/608337329.db2.gz BMOZOBBIDTWOHL-JTQLQIEISA-N -1 3 371.832 3.360 20 0 FGADHM CC(C)[C@@H](C)NC(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000824191814 608341268 /nfs/dbraw/zinc/34/12/68/608341268.db2.gz GJZDSRBPDFTIGF-CQSZACIVSA-N -1 3 364.453 3.377 20 0 FGADHM CC(C)[C@@H](C)NC(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000824191814 608341270 /nfs/dbraw/zinc/34/12/70/608341270.db2.gz GJZDSRBPDFTIGF-CQSZACIVSA-N -1 3 364.453 3.377 20 0 FGADHM CCN(C(=O)[C@@H](C)OCCC(C)C)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825362656 608343103 /nfs/dbraw/zinc/34/31/03/608343103.db2.gz QJJOYUHXGNZIPG-GFCCVEGCSA-N -1 3 365.865 3.324 20 0 FGADHM CCN(C(=O)[C@@H](C)OCCC(C)C)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825362656 608343105 /nfs/dbraw/zinc/34/31/05/608343105.db2.gz QJJOYUHXGNZIPG-GFCCVEGCSA-N -1 3 365.865 3.324 20 0 FGADHM CCN(C(=O)c1cc(C(C)C)n(C)n1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825380845 608345300 /nfs/dbraw/zinc/34/53/00/608345300.db2.gz VPAITAGKGQUESI-UHFFFAOYSA-N -1 3 373.848 3.044 20 0 FGADHM CCN(C(=O)c1cc(C(C)C)n(C)n1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825380845 608345301 /nfs/dbraw/zinc/34/53/01/608345301.db2.gz VPAITAGKGQUESI-UHFFFAOYSA-N -1 3 373.848 3.044 20 0 FGADHM CC[C@H](C)N(C)C(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000825066893 608356713 /nfs/dbraw/zinc/35/67/13/608356713.db2.gz FRVNXBDIRYIGTO-AWEZNQCLSA-N -1 3 364.453 3.474 20 0 FGADHM CC[C@H](C)N(C)C(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000825066893 608356715 /nfs/dbraw/zinc/35/67/15/608356715.db2.gz FRVNXBDIRYIGTO-AWEZNQCLSA-N -1 3 364.453 3.474 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)C(C)=Cc1ccc(F)cc1 ZINC000826170961 608361411 /nfs/dbraw/zinc/36/14/11/608361411.db2.gz WXLHBDPEAPHJRT-FMIVXFBMSA-N -1 3 368.368 3.161 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)C(C)=Cc1ccc(F)cc1 ZINC000826170961 608361413 /nfs/dbraw/zinc/36/14/13/608361413.db2.gz WXLHBDPEAPHJRT-FMIVXFBMSA-N -1 3 368.368 3.161 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)c1cccc(Cl)c1F ZINC000826172786 608363664 /nfs/dbraw/zinc/36/36/64/608363664.db2.gz XHQPSAPEFPURPX-UHFFFAOYSA-N -1 3 362.748 3.025 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)c1cccc(Cl)c1F ZINC000826172786 608363665 /nfs/dbraw/zinc/36/36/65/608363665.db2.gz XHQPSAPEFPURPX-UHFFFAOYSA-N -1 3 362.748 3.025 20 0 FGADHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(NCc3ccc([C@H](C)O)cc3)c2c1 ZINC000826263651 608374182 /nfs/dbraw/zinc/37/41/82/608374182.db2.gz LKGDHVXVJTZNCK-AWEZNQCLSA-N -1 3 374.448 3.119 20 0 FGADHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(NCc3ccc([C@H](C)O)cc3)c2c1 ZINC000826263651 608374183 /nfs/dbraw/zinc/37/41/83/608374183.db2.gz LKGDHVXVJTZNCK-AWEZNQCLSA-N -1 3 374.448 3.119 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)[C@@H](c1ccccc1)C1CC1 ZINC000826171171 608375272 /nfs/dbraw/zinc/37/52/72/608375272.db2.gz FZLQEIFPOVPJQM-SFHVURJKSA-N -1 3 364.405 3.112 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)[C@@H](c1ccccc1)C1CC1 ZINC000826171171 608375273 /nfs/dbraw/zinc/37/52/73/608375273.db2.gz FZLQEIFPOVPJQM-SFHVURJKSA-N -1 3 364.405 3.112 20 0 FGADHM O=C1Nc2cc(Br)ccc2C1=Cc1cc(-c2nn[n-]n2)cs1 ZINC000826483724 608387867 /nfs/dbraw/zinc/38/78/67/608387867.db2.gz XZQYJLLAJJABAL-VZUCSPMQSA-N -1 3 374.223 3.183 20 0 FGADHM O=C1Nc2cc(Br)ccc2C1=Cc1cc(-c2nnn[n-]2)cs1 ZINC000826483724 608387865 /nfs/dbraw/zinc/38/78/65/608387865.db2.gz XZQYJLLAJJABAL-VZUCSPMQSA-N -1 3 374.223 3.183 20 0 FGADHM C[C@H]1c2cc(F)cc(F)c2CCN1Cc1cccc(-c2nnn[n-]2)c1F ZINC000825020471 608400314 /nfs/dbraw/zinc/40/03/14/608400314.db2.gz JZZURHKYQQSDGO-JTQLQIEISA-N -1 3 359.355 3.403 20 0 FGADHM C[C@H]1c2cc(F)cc(F)c2CCN1Cc1cccc(-c2nn[n-]n2)c1F ZINC000825020471 608400315 /nfs/dbraw/zinc/40/03/15/608400315.db2.gz JZZURHKYQQSDGO-JTQLQIEISA-N -1 3 359.355 3.403 20 0 FGADHM C[C@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccccc1Cl ZINC000826232129 608434135 /nfs/dbraw/zinc/43/41/35/608434135.db2.gz QKFWUWLUXVAFGG-WEHUKYGOSA-N -1 3 353.813 3.411 20 0 FGADHM C[C@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ccccc1Cl ZINC000826232129 608434137 /nfs/dbraw/zinc/43/41/37/608434137.db2.gz QKFWUWLUXVAFGG-WEHUKYGOSA-N -1 3 353.813 3.411 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccccc1OC(F)(F)F ZINC000826278944 608460217 /nfs/dbraw/zinc/46/02/17/608460217.db2.gz ZNIFRHGUCRFVCR-UHFFFAOYSA-N -1 3 363.299 3.326 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccccc1OC(F)(F)F ZINC000826278944 608460218 /nfs/dbraw/zinc/46/02/18/608460218.db2.gz ZNIFRHGUCRFVCR-UHFFFAOYSA-N -1 3 363.299 3.326 20 0 FGADHM CCCCSCC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000825296902 608483377 /nfs/dbraw/zinc/48/33/77/608483377.db2.gz ZUVFPFLEZXBZJS-UHFFFAOYSA-N -1 3 357.483 3.016 20 0 FGADHM CCCCSCC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825296902 608483380 /nfs/dbraw/zinc/48/33/80/608483380.db2.gz ZUVFPFLEZXBZJS-UHFFFAOYSA-N -1 3 357.483 3.016 20 0 FGADHM C/C(=C/C(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1)C(C)(C)C ZINC000823942760 608485934 /nfs/dbraw/zinc/48/59/34/608485934.db2.gz IWGQKMHFWRMTNA-YPKPFQOOSA-N -1 3 351.454 3.475 20 0 FGADHM C/C(=C/C(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1)C(C)(C)C ZINC000823942760 608485935 /nfs/dbraw/zinc/48/59/35/608485935.db2.gz IWGQKMHFWRMTNA-YPKPFQOOSA-N -1 3 351.454 3.475 20 0 FGADHM O=C([C@H]1CCc2ccccc21)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826399574 608489161 /nfs/dbraw/zinc/48/91/61/608489161.db2.gz ZRHUCAWZQZDSTF-FQEVSTJZSA-N -1 3 371.444 3.212 20 0 FGADHM O=C([C@H]1CCc2ccccc21)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826399574 608489163 /nfs/dbraw/zinc/48/91/63/608489163.db2.gz ZRHUCAWZQZDSTF-FQEVSTJZSA-N -1 3 371.444 3.212 20 0 FGADHM CCc1c(C)sc(NC(=O)c2sc3nccn3c2C)c1-c1nnn[n-]1 ZINC000825688206 608494261 /nfs/dbraw/zinc/49/42/61/608494261.db2.gz SRADASSAQQUVMV-UHFFFAOYSA-N -1 3 373.467 3.069 20 0 FGADHM CCc1c(C)sc(NC(=O)c2sc3nccn3c2C)c1-c1nn[n-]n1 ZINC000825688206 608494262 /nfs/dbraw/zinc/49/42/62/608494262.db2.gz SRADASSAQQUVMV-UHFFFAOYSA-N -1 3 373.467 3.069 20 0 FGADHM FC(F)(F)c1cccnc1CN(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000826369278 608520430 /nfs/dbraw/zinc/52/04/30/608520430.db2.gz VLANFZFCIPFPQD-UHFFFAOYSA-N -1 3 374.370 3.445 20 0 FGADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)Cc1c(F)cccc1N1CCCC1 ZINC000825958209 608526233 /nfs/dbraw/zinc/52/62/33/608526233.db2.gz NWPPNUSBJZOOMB-UHFFFAOYSA-N -1 3 366.444 3.238 20 0 FGADHM CCO[C@@H](C)c1nc(CNC2(c3cccc(-c4nnn[n-]4)c3)CC2)cs1 ZINC000825576850 608530353 /nfs/dbraw/zinc/53/03/53/608530353.db2.gz OQTHFUWPTXDLKX-LBPRGKRZSA-N -1 3 370.482 3.200 20 0 FGADHM CCO[C@@H](C)c1nc(CNC2(c3cccc(-c4nn[n-]n4)c3)CC2)cs1 ZINC000825576850 608530354 /nfs/dbraw/zinc/53/03/54/608530354.db2.gz OQTHFUWPTXDLKX-LBPRGKRZSA-N -1 3 370.482 3.200 20 0 FGADHM CC[C@H](NCc1ccc(-c2nn[n-]n2)cc1OC)c1ccc(F)cc1F ZINC000825139997 608535268 /nfs/dbraw/zinc/53/52/68/608535268.db2.gz IGGGAMCMTMPWQH-INIZCTEOSA-N -1 3 359.380 3.394 20 0 FGADHM c1cc2n(c1)CCN(Cc1ccc(-c3nnn[n-]3)s1)[C@H]2c1ccccc1 ZINC000826520398 608544603 /nfs/dbraw/zinc/54/46/03/608544603.db2.gz IIAQJSQLIQLWFQ-SFHVURJKSA-N -1 3 362.462 3.335 20 0 FGADHM c1cc2n(c1)CCN(Cc1ccc(-c3nn[n-]n3)s1)[C@H]2c1ccccc1 ZINC000826520398 608544605 /nfs/dbraw/zinc/54/46/05/608544605.db2.gz IIAQJSQLIQLWFQ-SFHVURJKSA-N -1 3 362.462 3.335 20 0 FGADHM CN(C(=O)c1ccccc1OC(F)(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000825833711 608546184 /nfs/dbraw/zinc/54/61/84/608546184.db2.gz LLYNPQFZDUFFJI-UHFFFAOYSA-N -1 3 363.299 3.042 20 0 FGADHM CN(C(=O)c1ccccc1OC(F)(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000825833711 608546185 /nfs/dbraw/zinc/54/61/85/608546185.db2.gz LLYNPQFZDUFFJI-UHFFFAOYSA-N -1 3 363.299 3.042 20 0 FGADHM Clc1cc(NC2CCC(Oc3ccc(-c4nnn[n-]4)cn3)CC2)ccn1 ZINC000826350630 608558396 /nfs/dbraw/zinc/55/83/96/608558396.db2.gz FIBPAGCSRVHDRB-UHFFFAOYSA-N -1 3 371.832 3.112 20 0 FGADHM Clc1cc(NC2CCC(Oc3ccc(-c4nn[n-]n4)cn3)CC2)ccn1 ZINC000826350630 608558398 /nfs/dbraw/zinc/55/83/98/608558398.db2.gz FIBPAGCSRVHDRB-UHFFFAOYSA-N -1 3 371.832 3.112 20 0 FGADHM CC(C)(CNC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000824157178 608574633 /nfs/dbraw/zinc/57/46/33/608574633.db2.gz CDAJIYMBEIWEGB-UHFFFAOYSA-N -1 3 355.829 3.228 20 0 FGADHM CC(C)(CNC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000824157178 608574635 /nfs/dbraw/zinc/57/46/35/608574635.db2.gz CDAJIYMBEIWEGB-UHFFFAOYSA-N -1 3 355.829 3.228 20 0 FGADHM O=C(Nc1cnc(-c2ccccc2)s1)c1sccc1-c1nnn[n-]1 ZINC000826458669 608585345 /nfs/dbraw/zinc/58/53/45/608585345.db2.gz AGGPFLIYPSCXOE-UHFFFAOYSA-N -1 3 354.420 3.304 20 0 FGADHM O=C(Nc1cnc(-c2ccccc2)s1)c1sccc1-c1nn[n-]n1 ZINC000826458669 608585346 /nfs/dbraw/zinc/58/53/46/608585346.db2.gz AGGPFLIYPSCXOE-UHFFFAOYSA-N -1 3 354.420 3.304 20 0 FGADHM CCOc1cccc([C@H]2C[C@H]2Nc2nc3c(cc2-c2nnn[n-]2)CCC3)c1 ZINC000825649023 608589029 /nfs/dbraw/zinc/58/90/29/608589029.db2.gz JPPNMRSJJUBSBX-CRAIPNDOSA-N -1 3 362.437 3.117 20 0 FGADHM CCOc1cccc([C@H]2C[C@H]2Nc2nc3c(cc2-c2nn[n-]n2)CCC3)c1 ZINC000825649023 608589031 /nfs/dbraw/zinc/58/90/31/608589031.db2.gz JPPNMRSJJUBSBX-CRAIPNDOSA-N -1 3 362.437 3.117 20 0 FGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H]1CCC(C)(C)C1 ZINC000824293398 608621653 /nfs/dbraw/zinc/62/16/53/608621653.db2.gz KJTPADXHDXIBBT-INIZCTEOSA-N -1 3 356.474 3.365 20 0 FGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H]1CCC(C)(C)C1 ZINC000824293398 608621656 /nfs/dbraw/zinc/62/16/56/608621656.db2.gz KJTPADXHDXIBBT-INIZCTEOSA-N -1 3 356.474 3.365 20 0 FGADHM C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)N1Cc1cccc(-c2nnn[n-]2)c1F ZINC000825005908 608646827 /nfs/dbraw/zinc/64/68/27/608646827.db2.gz DZAODLCULPCOFF-TYILLQQXSA-N -1 3 367.428 3.356 20 0 FGADHM C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)N1Cc1cccc(-c2nn[n-]n2)c1F ZINC000825005908 608646828 /nfs/dbraw/zinc/64/68/28/608646828.db2.gz DZAODLCULPCOFF-TYILLQQXSA-N -1 3 367.428 3.356 20 0 FGADHM Fc1c(CSc2nnc(-c3ccccc3)o2)cccc1-c1nnn[n-]1 ZINC000826371930 608670245 /nfs/dbraw/zinc/67/02/45/608670245.db2.gz ZNTJTPARPXPEFB-UHFFFAOYSA-N -1 3 354.370 3.348 20 0 FGADHM Fc1c(CSc2nnc(-c3ccccc3)o2)cccc1-c1nn[n-]n1 ZINC000826371930 608670246 /nfs/dbraw/zinc/67/02/46/608670246.db2.gz ZNTJTPARPXPEFB-UHFFFAOYSA-N -1 3 354.370 3.348 20 0 FGADHM CCc1ccc(NCC(=O)Nc2cc(Cl)ccc2-c2nnn[n-]2)cc1C ZINC000825717847 608751146 /nfs/dbraw/zinc/75/11/46/608751146.db2.gz RICRGRKXVQNEES-UHFFFAOYSA-N -1 3 370.844 3.442 20 0 FGADHM CCc1ccc(NCC(=O)Nc2cc(Cl)ccc2-c2nn[n-]n2)cc1C ZINC000825717847 608751148 /nfs/dbraw/zinc/75/11/48/608751148.db2.gz RICRGRKXVQNEES-UHFFFAOYSA-N -1 3 370.844 3.442 20 0 FGADHM Fc1ccc2c(C3CCN(c4cnccc4-c4nnn[n-]4)CC3)c[nH]c2c1 ZINC000826376337 608785162 /nfs/dbraw/zinc/78/51/62/608785162.db2.gz YTZZXWSJSYHQRY-UHFFFAOYSA-N -1 3 363.400 3.266 20 0 FGADHM Fc1ccc2c(C3CCN(c4cnccc4-c4nn[n-]n4)CC3)c[nH]c2c1 ZINC000826376337 608785165 /nfs/dbraw/zinc/78/51/65/608785165.db2.gz YTZZXWSJSYHQRY-UHFFFAOYSA-N -1 3 363.400 3.266 20 0 FGADHM C[C@@H]1c2ccc(F)cc2C[C@H](C)N1C(=O)c1sccc1-c1nnn[n-]1 ZINC000825013815 608825160 /nfs/dbraw/zinc/82/51/60/608825160.db2.gz RWDJQGUNFIOVBQ-VHSXEESVSA-N -1 3 357.414 3.215 20 0 FGADHM C[C@@H]1c2ccc(F)cc2C[C@H](C)N1C(=O)c1sccc1-c1nn[n-]n1 ZINC000825013815 608825163 /nfs/dbraw/zinc/82/51/63/608825163.db2.gz RWDJQGUNFIOVBQ-VHSXEESVSA-N -1 3 357.414 3.215 20 0 FGADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)N1CCCc2ccc(F)c(F)c21 ZINC000826408426 608850530 /nfs/dbraw/zinc/85/05/30/608850530.db2.gz FRMXQLIZXOKREX-UHFFFAOYSA-N -1 3 369.375 3.057 20 0 FGADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)N1CCCc2ccc(F)c(F)c21 ZINC000826408426 608850535 /nfs/dbraw/zinc/85/05/35/608850535.db2.gz FRMXQLIZXOKREX-UHFFFAOYSA-N -1 3 369.375 3.057 20 0 FGADHM CCc1ccc(CN2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)s1 ZINC000825711796 608853186 /nfs/dbraw/zinc/85/31/86/608853186.db2.gz GOESMMUWCSPYTF-KRWDZBQOSA-N -1 3 355.467 3.064 20 0 FGADHM CCCOc1cc(F)ccc1NCc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000825339415 608859527 /nfs/dbraw/zinc/85/95/27/608859527.db2.gz ZLSVQGCBWRRCKW-UHFFFAOYSA-N -1 3 367.388 3.054 20 0 FGADHM CCCOc1cc(F)ccc1NCc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000825339415 608859529 /nfs/dbraw/zinc/85/95/29/608859529.db2.gz ZLSVQGCBWRRCKW-UHFFFAOYSA-N -1 3 367.388 3.054 20 0 FGADHM Cc1ccc2[nH]cc(C(=O)OCc3cc(-c4nnn[n-]4)ccc3F)c2c1 ZINC000826293325 609133120 /nfs/dbraw/zinc/13/31/20/609133120.db2.gz LDNAEJPEZPNJPF-UHFFFAOYSA-N -1 3 351.341 3.153 20 0 FGADHM Cc1ccc2[nH]cc(C(=O)OCc3cc(-c4nn[n-]n4)ccc3F)c2c1 ZINC000826293325 609133121 /nfs/dbraw/zinc/13/31/21/609133121.db2.gz LDNAEJPEZPNJPF-UHFFFAOYSA-N -1 3 351.341 3.153 20 0 FGADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)Nc1ccc2cccc(Cl)c2n1 ZINC000826422205 609139865 /nfs/dbraw/zinc/13/98/65/609139865.db2.gz QIBFMCCWOZIGAS-UHFFFAOYSA-N -1 3 364.796 3.250 20 0 FGADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)Nc1ccc2cccc(Cl)c2n1 ZINC000826422205 609139867 /nfs/dbraw/zinc/13/98/67/609139867.db2.gz QIBFMCCWOZIGAS-UHFFFAOYSA-N -1 3 364.796 3.250 20 0 FGADHM CCc1ccc([C@H](COC)N[C@@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)o1 ZINC000825704056 609146659 /nfs/dbraw/zinc/14/66/59/609146659.db2.gz BWHDANWCJDCURG-ZBEGNZNMSA-N -1 3 359.405 3.200 20 0 FGADHM CCc1ccc([C@H](COC)N[C@@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)o1 ZINC000825704056 609146661 /nfs/dbraw/zinc/14/66/61/609146661.db2.gz BWHDANWCJDCURG-ZBEGNZNMSA-N -1 3 359.405 3.200 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1C[C@H](C(F)(F)F)CC[C@@H]1C ZINC000826277892 609157229 /nfs/dbraw/zinc/15/72/29/609157229.db2.gz LBYAXJZEQIPJMN-CMPLNLGQSA-N -1 3 368.363 3.370 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1C[C@H](C(F)(F)F)CC[C@@H]1C ZINC000826277892 609157231 /nfs/dbraw/zinc/15/72/31/609157231.db2.gz LBYAXJZEQIPJMN-CMPLNLGQSA-N -1 3 368.363 3.370 20 0 FGADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)CSC(C)C)c1-c1nnn[n-]1 ZINC000826233861 609168036 /nfs/dbraw/zinc/16/80/36/609168036.db2.gz YEUGOQPFLFHKGU-UHFFFAOYSA-N -1 3 370.482 3.354 20 0 FGADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)CSC(C)C)c1-c1nn[n-]n1 ZINC000826233861 609168037 /nfs/dbraw/zinc/16/80/37/609168037.db2.gz YEUGOQPFLFHKGU-UHFFFAOYSA-N -1 3 370.482 3.354 20 0 FGADHM Cn1ccc(C(=O)Nc2sc(-c3ccccc3)cc2-c2nnn[n-]2)c1 ZINC000826363033 609174680 /nfs/dbraw/zinc/17/46/80/609174680.db2.gz UBOGXTKUUSZXLT-UHFFFAOYSA-N -1 3 350.407 3.186 20 0 FGADHM Cn1ccc(C(=O)Nc2sc(-c3ccccc3)cc2-c2nn[n-]n2)c1 ZINC000826363033 609174682 /nfs/dbraw/zinc/17/46/82/609174682.db2.gz UBOGXTKUUSZXLT-UHFFFAOYSA-N -1 3 350.407 3.186 20 0 FGADHM COCCOc1ccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)cc1 ZINC000826162683 609176340 /nfs/dbraw/zinc/17/63/40/609176340.db2.gz NTJFIVCCHLPBQA-LBPRGKRZSA-N -1 3 357.389 3.204 20 0 FGADHM COCCOc1ccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)cc1 ZINC000826162683 609176342 /nfs/dbraw/zinc/17/63/42/609176342.db2.gz NTJFIVCCHLPBQA-LBPRGKRZSA-N -1 3 357.389 3.204 20 0 FGADHM CCCCCN(CCCOC)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000825270594 609180186 /nfs/dbraw/zinc/18/01/86/609180186.db2.gz ADUJGBGWYJIZRG-OAHLLOKOSA-N -1 3 374.489 3.166 20 0 FGADHM CCCCCN(CCCOC)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000825270594 609180188 /nfs/dbraw/zinc/18/01/88/609180188.db2.gz ADUJGBGWYJIZRG-OAHLLOKOSA-N -1 3 374.489 3.166 20 0 FGADHM C[C@@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1cc(F)c(Cl)cc1Cl ZINC000824506406 609188690 /nfs/dbraw/zinc/18/86/90/609188690.db2.gz ODKQOKLNJOAQKQ-ZCFIWIBFSA-N -1 3 369.187 3.132 20 0 FGADHM C[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1cc(F)c(Cl)cc1Cl ZINC000824506406 609188691 /nfs/dbraw/zinc/18/86/91/609188691.db2.gz ODKQOKLNJOAQKQ-ZCFIWIBFSA-N -1 3 369.187 3.132 20 0 FGADHM Fc1ccc(-n2cc(CNc3ccc(Cl)c(-c4nnn[n-]4)c3)cn2)cc1 ZINC000826373422 609200050 /nfs/dbraw/zinc/20/00/50/609200050.db2.gz LPIJSCDFOHJQFY-UHFFFAOYSA-N -1 3 369.791 3.457 20 0 FGADHM Fc1ccc(-n2cc(CNc3ccc(Cl)c(-c4nn[n-]n4)c3)cn2)cc1 ZINC000826373422 609200051 /nfs/dbraw/zinc/20/00/51/609200051.db2.gz LPIJSCDFOHJQFY-UHFFFAOYSA-N -1 3 369.791 3.457 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1c2nsnc2ccc1Cl ZINC000826249527 609204166 /nfs/dbraw/zinc/20/41/66/609204166.db2.gz HDROOAFBFRBPLS-UHFFFAOYSA-N -1 3 371.813 3.086 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1c2nsnc2ccc1Cl ZINC000826249527 609204168 /nfs/dbraw/zinc/20/41/68/609204168.db2.gz HDROOAFBFRBPLS-UHFFFAOYSA-N -1 3 371.813 3.086 20 0 FGADHM C[C@@H](c1ccccc1Cl)N(C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC000824771505 609218652 /nfs/dbraw/zinc/21/86/52/609218652.db2.gz QQQVVBWGZJWQOQ-JTQLQIEISA-N -1 3 356.817 3.214 20 0 FGADHM C[C@@H](c1ccccc1Cl)N(C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC000824771505 609218655 /nfs/dbraw/zinc/21/86/55/609218655.db2.gz QQQVVBWGZJWQOQ-JTQLQIEISA-N -1 3 356.817 3.214 20 0 FGADHM CC[C@@H](C)C[C@H](CC)Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1 ZINC000825059393 609242204 /nfs/dbraw/zinc/24/22/04/609242204.db2.gz FEMMXBWVQRYPRH-CABCVRRESA-N -1 3 372.517 3.455 20 0 FGADHM CC[C@@H](C)C[C@H](CC)Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1 ZINC000825059393 609242205 /nfs/dbraw/zinc/24/22/05/609242205.db2.gz FEMMXBWVQRYPRH-CABCVRRESA-N -1 3 372.517 3.455 20 0 FGADHM CC(C)[C@H](N[C@@H](C)c1ccc(-c2nnn[n-]2)c(F)c1)C(=O)OC(C)(C)C ZINC000824650238 609248698 /nfs/dbraw/zinc/24/86/98/609248698.db2.gz QHDPVDOYHUIAMZ-NHYWBVRUSA-N -1 3 363.437 3.023 20 0 FGADHM CC(C)[C@H](N[C@@H](C)c1ccc(-c2nn[n-]n2)c(F)c1)C(=O)OC(C)(C)C ZINC000824650238 609248699 /nfs/dbraw/zinc/24/86/99/609248699.db2.gz QHDPVDOYHUIAMZ-NHYWBVRUSA-N -1 3 363.437 3.023 20 0 FGADHM c1cc(N2CCCC2)ncc1N[C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000826517231 609252347 /nfs/dbraw/zinc/25/23/47/609252347.db2.gz VTVZGKLJWJCMBT-GOSISDBHSA-N -1 3 361.453 3.351 20 0 FGADHM C[C@H](OC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)c1cccs1 ZINC000824715974 609256110 /nfs/dbraw/zinc/25/61/10/609256110.db2.gz VTIUCGMTEQMZNZ-WFASDCNBSA-N -1 3 369.450 3.201 20 0 FGADHM Cc1cc(NCc2cc(-c3nnn[n-]3)cs2)ncc1Br ZINC000826271415 609266272 /nfs/dbraw/zinc/26/62/72/609266272.db2.gz QGBMNOSFHCWSPR-UHFFFAOYSA-N -1 3 351.233 3.006 20 0 FGADHM Cc1cc(NCc2cc(-c3nn[n-]n3)cs2)ncc1Br ZINC000826271415 609266273 /nfs/dbraw/zinc/26/62/73/609266273.db2.gz QGBMNOSFHCWSPR-UHFFFAOYSA-N -1 3 351.233 3.006 20 0 FGADHM Cc1nc2c(s1)[C@H](NC(=O)c1ccc(Cl)c(-c3nnn[n-]3)c1)CCC2 ZINC000826328095 609264371 /nfs/dbraw/zinc/26/43/71/609264371.db2.gz GDKGTMICQFYZDR-CYBMUJFWSA-N -1 3 374.857 3.092 20 0 FGADHM Cc1nc2c(s1)[C@H](NC(=O)c1ccc(Cl)c(-c3nn[n-]n3)c1)CCC2 ZINC000826328095 609264372 /nfs/dbraw/zinc/26/43/72/609264372.db2.gz GDKGTMICQFYZDR-CYBMUJFWSA-N -1 3 374.857 3.092 20 0 FGADHM Cc1c(C(=O)Nc2ccccc2-c2nnn[n-]2)cnn1C1CCCCC1 ZINC000826234978 609269450 /nfs/dbraw/zinc/26/94/50/609269450.db2.gz XMUYKCCKUVFXQI-UHFFFAOYSA-N -1 3 351.414 3.129 20 0 FGADHM Cc1c(C(=O)Nc2ccccc2-c2nn[n-]n2)cnn1C1CCCCC1 ZINC000826234978 609269452 /nfs/dbraw/zinc/26/94/52/609269452.db2.gz XMUYKCCKUVFXQI-UHFFFAOYSA-N -1 3 351.414 3.129 20 0 FGADHM COCCOc1ccccc1N[C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000826163177 609277094 /nfs/dbraw/zinc/27/70/94/609277094.db2.gz JCEJPVZHNYPUCP-QGZVFWFLSA-N -1 3 365.437 3.381 20 0 FGADHM COCCOc1ccccc1N[C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000826163177 609277096 /nfs/dbraw/zinc/27/70/96/609277096.db2.gz JCEJPVZHNYPUCP-QGZVFWFLSA-N -1 3 365.437 3.381 20 0 FGADHM COc1cc(OC)c(N[C@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)cc1F ZINC000826181240 609279950 /nfs/dbraw/zinc/27/99/50/609279950.db2.gz QSAFNNXLHOKJCK-SECBINFHSA-N -1 3 361.352 3.335 20 0 FGADHM COc1cc(OC)c(N[C@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)cc1F ZINC000826181240 609279951 /nfs/dbraw/zinc/27/99/51/609279951.db2.gz QSAFNNXLHOKJCK-SECBINFHSA-N -1 3 361.352 3.335 20 0 FGADHM C[C@@H](OC(=O)CCc1ccc(-c2nnn[n-]2)cc1)c1nc(C2CC2)cs1 ZINC000824716262 609285849 /nfs/dbraw/zinc/28/58/49/609285849.db2.gz XMPYGUNARUVKKC-LLVKDONJSA-N -1 3 369.450 3.438 20 0 FGADHM C[C@@H](OC(=O)CCc1ccc(-c2nn[n-]n2)cc1)c1nc(C2CC2)cs1 ZINC000824716262 609285850 /nfs/dbraw/zinc/28/58/50/609285850.db2.gz XMPYGUNARUVKKC-LLVKDONJSA-N -1 3 369.450 3.438 20 0 FGADHM O=C(Nc1nc2c(s1)CCCC2)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826460360 609288966 /nfs/dbraw/zinc/28/89/66/609288966.db2.gz ZFNHVCLECGYHJU-UHFFFAOYSA-N -1 3 360.830 3.108 20 0 FGADHM O=C(Nc1nc2c(s1)CCCC2)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826460360 609288967 /nfs/dbraw/zinc/28/89/67/609288967.db2.gz ZFNHVCLECGYHJU-UHFFFAOYSA-N -1 3 360.830 3.108 20 0 FGADHM Cc1ccccc1C1(CNC(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)CC1 ZINC000826306613 609298746 /nfs/dbraw/zinc/29/87/46/609298746.db2.gz FSGVBKWCIHSQLI-UHFFFAOYSA-N -1 3 367.840 3.290 20 0 FGADHM Cc1ccccc1C1(CNC(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)CC1 ZINC000826306613 609298747 /nfs/dbraw/zinc/29/87/47/609298747.db2.gz FSGVBKWCIHSQLI-UHFFFAOYSA-N -1 3 367.840 3.290 20 0 FGADHM O=C(Nc1ccc2c(c1)C(=O)CCC2)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826455321 609301785 /nfs/dbraw/zinc/30/17/85/609301785.db2.gz JMBUOZLLMLCIFU-UHFFFAOYSA-N -1 3 367.796 3.291 20 0 FGADHM O=C(Nc1ccc2c(c1)C(=O)CCC2)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826455321 609301786 /nfs/dbraw/zinc/30/17/86/609301786.db2.gz JMBUOZLLMLCIFU-UHFFFAOYSA-N -1 3 367.796 3.291 20 0 FGADHM CC[C@@H](C)n1nc(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1C ZINC000825080579 609303676 /nfs/dbraw/zinc/30/36/76/609303676.db2.gz BBCJXPHEJIAJRK-SECBINFHSA-N -1 3 359.821 3.248 20 0 FGADHM CC[C@@H](C)n1nc(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1C ZINC000825080579 609303677 /nfs/dbraw/zinc/30/36/77/609303677.db2.gz BBCJXPHEJIAJRK-SECBINFHSA-N -1 3 359.821 3.248 20 0 FGADHM CCC(CC)n1ccc(CSc2nnc(C)c(C)c2-c2nnn[n-]2)n1 ZINC000825114621 609305228 /nfs/dbraw/zinc/30/52/28/609305228.db2.gz OWKJESGCZSRRBS-UHFFFAOYSA-N -1 3 358.475 3.123 20 0 FGADHM CCC(CC)n1ccc(CSc2nnc(C)c(C)c2-c2nn[n-]n2)n1 ZINC000825114621 609305229 /nfs/dbraw/zinc/30/52/29/609305229.db2.gz OWKJESGCZSRRBS-UHFFFAOYSA-N -1 3 358.475 3.123 20 0 FGADHM C[C@H]1CSC(SCc2ccc(-c3nnn[n-]3)cc2Br)=N1 ZINC000825012334 609312654 /nfs/dbraw/zinc/31/26/54/609312654.db2.gz HGYOWCXAZFMAKI-ZETCQYMHSA-N -1 3 370.301 3.354 20 0 FGADHM C[C@H]1CSC(SCc2ccc(-c3nn[n-]n3)cc2Br)=N1 ZINC000825012334 609312655 /nfs/dbraw/zinc/31/26/55/609312655.db2.gz HGYOWCXAZFMAKI-ZETCQYMHSA-N -1 3 370.301 3.354 20 0 FGADHM Cc1cc(F)ccc1CNc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000826268774 609320140 /nfs/dbraw/zinc/32/01/40/609320140.db2.gz MTDZXJRMEMPPAX-UHFFFAOYSA-N -1 3 367.363 3.251 20 0 FGADHM Fc1cccc(-n2ccc(NCc3ccc(Cl)o3)n2)c1-c1nnn[n-]1 ZINC000826376884 609320826 /nfs/dbraw/zinc/32/08/26/609320826.db2.gz WWGHJYJLLPMWLQ-UHFFFAOYSA-N -1 3 359.752 3.050 20 0 FGADHM COc1cccc2[nH]cc(CCNc3nc(C)cc(C)c3-c3nnn[n-]3)c21 ZINC000826218129 609324438 /nfs/dbraw/zinc/32/44/38/609324438.db2.gz QCBRIXKCRIJVIO-UHFFFAOYSA-N -1 3 363.425 3.023 20 0 FGADHM COc1cccc2[nH]cc(CCNc3nc(C)cc(C)c3-c3nn[n-]n3)c21 ZINC000826218129 609324440 /nfs/dbraw/zinc/32/44/40/609324440.db2.gz QCBRIXKCRIJVIO-UHFFFAOYSA-N -1 3 363.425 3.023 20 0 FGADHM CCC/C=C\C(=O)OCc1ccc(-c2nnn[n-]2)cc1Br ZINC000825259255 609342500 /nfs/dbraw/zinc/34/25/00/609342500.db2.gz HRCOPANQUBGIBW-PLNGDYQASA-N -1 3 351.204 3.029 20 0 FGADHM CCC/C=C\C(=O)OCc1ccc(-c2nn[n-]n2)cc1Br ZINC000825259255 609342502 /nfs/dbraw/zinc/34/25/02/609342502.db2.gz HRCOPANQUBGIBW-PLNGDYQASA-N -1 3 351.204 3.029 20 0 FGADHM Brc1cc(-c2nn[n-]n2)ccc1CN1CCC[C@@H]1c1ccc[nH]1 ZINC000823821728 609363326 /nfs/dbraw/zinc/36/33/26/609363326.db2.gz YMBFSAXZMHGLOG-OAHLLOKOSA-N -1 3 373.258 3.294 20 0 FGADHM C[C@H](c1cccnc1)N(C)Cc1ccc(-c2nnn[n-]2)cc1Br ZINC000824770390 609366520 /nfs/dbraw/zinc/36/65/20/609366520.db2.gz JVXADKKEMRULBN-LLVKDONJSA-N -1 3 373.258 3.217 20 0 FGADHM C[C@H](c1cccnc1)N(C)Cc1ccc(-c2nn[n-]n2)cc1Br ZINC000824770390 609366522 /nfs/dbraw/zinc/36/65/22/609366522.db2.gz JVXADKKEMRULBN-LLVKDONJSA-N -1 3 373.258 3.217 20 0 FGADHM CC1(C)CC[C@@H](C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)C1 ZINC000824795914 609380318 /nfs/dbraw/zinc/38/03/18/609380318.db2.gz ITRGMCZJJLDVBY-SNVBAGLBSA-N -1 3 351.357 3.233 20 0 FGADHM CC1(C)CC[C@@H](C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)C1 ZINC000824795914 609380321 /nfs/dbraw/zinc/38/03/21/609380321.db2.gz ITRGMCZJJLDVBY-SNVBAGLBSA-N -1 3 351.357 3.233 20 0 FGADHM C[C@@H]1CC[C@]2(CCN(C(=O)CSCc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC000824917224 609396703 /nfs/dbraw/zinc/39/67/03/609396703.db2.gz MRGQQRHASUJILO-KUHUBIRLSA-N -1 3 371.510 3.139 20 0 FGADHM C[C@@H]1CC[C@]2(CCN(C(=O)CSCc3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC000824917224 609396705 /nfs/dbraw/zinc/39/67/05/609396705.db2.gz MRGQQRHASUJILO-KUHUBIRLSA-N -1 3 371.510 3.139 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)C[C@H]1CCO[C@@H](CC)C1 ZINC000825332540 609413991 /nfs/dbraw/zinc/41/39/91/609413991.db2.gz HOKNTUFGHNFKGR-ZFWWWQNUSA-N -1 3 372.473 3.222 20 0 FGADHM CC1(C)CCc2ccc(OC[C@H](O)c3ccc(-c4nnn[n-]4)cc3)cc2O1 ZINC000824808420 609440956 /nfs/dbraw/zinc/44/09/56/609440956.db2.gz RJJYQEMFRJEIEN-KRWDZBQOSA-N -1 3 366.421 3.083 20 0 FGADHM CC1(C)CCc2ccc(OC[C@H](O)c3ccc(-c4nn[n-]n4)cc3)cc2O1 ZINC000824808420 609440960 /nfs/dbraw/zinc/44/09/60/609440960.db2.gz RJJYQEMFRJEIEN-KRWDZBQOSA-N -1 3 366.421 3.083 20 0 FGADHM Cl/C=C(\Cl)CNc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000826350213 609447034 /nfs/dbraw/zinc/44/70/34/609447034.db2.gz MILZXWQGEVGJPT-TWGQIWQCSA-N -1 3 370.631 3.437 20 0 FGADHM Cl/C=C(\Cl)CNc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000826350213 609447035 /nfs/dbraw/zinc/44/70/35/609447035.db2.gz MILZXWQGEVGJPT-TWGQIWQCSA-N -1 3 370.631 3.437 20 0 FGADHM CCOC(=O)[C@H](C)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825484876 609450335 /nfs/dbraw/zinc/45/03/35/609450335.db2.gz BLKMDHCPGDCRSE-KGLIPLIRSA-N -1 3 365.437 3.136 20 0 FGADHM CCOC(=O)[C@H](C)N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825484876 609450337 /nfs/dbraw/zinc/45/03/37/609450337.db2.gz BLKMDHCPGDCRSE-KGLIPLIRSA-N -1 3 365.437 3.136 20 0 FGADHM Cc1ccc(N(Cc2ccco2)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)cc1C ZINC000826289928 609459486 /nfs/dbraw/zinc/45/94/86/609459486.db2.gz RUMALPPWHHBPNX-UHFFFAOYSA-N -1 3 362.393 3.252 20 0 FGADHM Cc1ccc(N(Cc2ccco2)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)cc1C ZINC000826289928 609459489 /nfs/dbraw/zinc/45/94/89/609459489.db2.gz RUMALPPWHHBPNX-UHFFFAOYSA-N -1 3 362.393 3.252 20 0 FGADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C12CCC(CC1)C2 ZINC000824255426 609480392 /nfs/dbraw/zinc/48/03/92/609480392.db2.gz JARNWQDXRYVQAD-UHFFFAOYSA-N -1 3 353.470 3.432 20 0 FGADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C12CCC(CC1)C2 ZINC000824255426 609480393 /nfs/dbraw/zinc/48/03/93/609480393.db2.gz JARNWQDXRYVQAD-UHFFFAOYSA-N -1 3 353.470 3.432 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NCc1ccc(OCC(F)F)cc1 ZINC000826186591 609481309 /nfs/dbraw/zinc/48/13/09/609481309.db2.gz ATJKCHVDWUUINI-UHFFFAOYSA-N -1 3 361.352 3.131 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NCc1ccc(OCC(F)F)cc1 ZINC000826186591 609481310 /nfs/dbraw/zinc/48/13/10/609481310.db2.gz ATJKCHVDWUUINI-UHFFFAOYSA-N -1 3 361.352 3.131 20 0 FGADHM COCCOc1ccc(-c2nnn[n-]2)cc1NCc1cc(C)ccc1C ZINC000826161794 609482576 /nfs/dbraw/zinc/48/25/76/609482576.db2.gz AGDORPKZZZQIIW-UHFFFAOYSA-N -1 3 353.426 3.121 20 0 FGADHM COCCOc1ccc(-c2nn[n-]n2)cc1NCc1cc(C)ccc1C ZINC000826161794 609482579 /nfs/dbraw/zinc/48/25/79/609482579.db2.gz AGDORPKZZZQIIW-UHFFFAOYSA-N -1 3 353.426 3.121 20 0 FGADHM CCOCc1cc(CNc2cccc(-c3nnn[n-]3)c2C)ccc1OC ZINC000825604829 609485012 /nfs/dbraw/zinc/48/50/12/609485012.db2.gz LBZMUXAFEUBZQZ-UHFFFAOYSA-N -1 3 353.426 3.332 20 0 FGADHM CCOCc1cc(CNc2cccc(-c3nn[n-]n3)c2C)ccc1OC ZINC000825604829 609485014 /nfs/dbraw/zinc/48/50/14/609485014.db2.gz LBZMUXAFEUBZQZ-UHFFFAOYSA-N -1 3 353.426 3.332 20 0 FGADHM CCn1c(SCc2ccccc2-c2nnn[n-]2)nnc1-c1ccccc1 ZINC000825797125 609485093 /nfs/dbraw/zinc/48/50/93/609485093.db2.gz VBEUXUAETHUFQH-UHFFFAOYSA-N -1 3 363.450 3.437 20 0 FGADHM CCn1c(SCc2ccccc2-c2nn[n-]n2)nnc1-c1ccccc1 ZINC000825797125 609485096 /nfs/dbraw/zinc/48/50/96/609485096.db2.gz VBEUXUAETHUFQH-UHFFFAOYSA-N -1 3 363.450 3.437 20 0 FGADHM CCOC(=O)Nc1ccc(NCc2sccc2C)cc1-c1nnn[n-]1 ZINC000825552796 609490878 /nfs/dbraw/zinc/49/08/78/609490878.db2.gz FGOOGKVPWIZCLB-UHFFFAOYSA-N -1 3 358.427 3.417 20 0 FGADHM CCOC(=O)Nc1ccc(NCc2sccc2C)cc1-c1nn[n-]n1 ZINC000825552796 609490881 /nfs/dbraw/zinc/49/08/81/609490881.db2.gz FGOOGKVPWIZCLB-UHFFFAOYSA-N -1 3 358.427 3.417 20 0 FGADHM O=C(Cc1ccncc1)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826423954 609501404 /nfs/dbraw/zinc/50/14/04/609501404.db2.gz PGMOTINXWARZSV-UHFFFAOYSA-N -1 3 372.388 3.235 20 0 FGADHM O=C(Cc1ccncc1)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826423954 609501406 /nfs/dbraw/zinc/50/14/06/609501406.db2.gz PGMOTINXWARZSV-UHFFFAOYSA-N -1 3 372.388 3.235 20 0 FGADHM CC[C@H]1C[C@@H](C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)CC(C)C)CCO1 ZINC000825182441 609523746 /nfs/dbraw/zinc/52/37/46/609523746.db2.gz JGMUNXINZSSZRS-ROUUACIJSA-N -1 3 371.485 3.057 20 0 FGADHM CC[C@H]1C[C@@H](C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)CC(C)C)CCO1 ZINC000825182441 609523747 /nfs/dbraw/zinc/52/37/47/609523747.db2.gz JGMUNXINZSSZRS-ROUUACIJSA-N -1 3 371.485 3.057 20 0 FGADHM Cc1ccnc(NCCc2nc3cc(Cl)ccc3s2)c1-c1nnn[n-]1 ZINC000826314415 609527743 /nfs/dbraw/zinc/52/77/43/609527743.db2.gz VWASZQGCRMPTEY-UHFFFAOYSA-N -1 3 371.857 3.488 20 0 FGADHM Cc1ccnc(NCCc2nc3cc(Cl)ccc3s2)c1-c1nn[n-]n1 ZINC000826314415 609527745 /nfs/dbraw/zinc/52/77/45/609527745.db2.gz VWASZQGCRMPTEY-UHFFFAOYSA-N -1 3 371.857 3.488 20 0 FGADHM COc1ccc([C@@H](C)Nc2ncc(Cl)c(C)c2-c2nnn[n-]2)cc1OC ZINC000826188658 609536052 /nfs/dbraw/zinc/53/60/52/609536052.db2.gz CHVLMKDSUMBGRX-SNVBAGLBSA-N -1 3 374.832 3.414 20 0 FGADHM COc1ccc([C@@H](C)Nc2ncc(Cl)c(C)c2-c2nn[n-]n2)cc1OC ZINC000826188658 609536053 /nfs/dbraw/zinc/53/60/53/609536053.db2.gz CHVLMKDSUMBGRX-SNVBAGLBSA-N -1 3 374.832 3.414 20 0 FGADHM Cc1c(Cl)cnc(N2CCOc3ccccc3[C@H]2C)c1-c1nnn[n-]1 ZINC000826238926 609543616 /nfs/dbraw/zinc/54/36/16/609543616.db2.gz SSHVYUAETXOZIP-LLVKDONJSA-N -1 3 356.817 3.184 20 0 FGADHM Cc1c(Cl)cnc(N2CCOc3ccccc3[C@H]2C)c1-c1nn[n-]n1 ZINC000826238926 609543618 /nfs/dbraw/zinc/54/36/18/609543618.db2.gz SSHVYUAETXOZIP-LLVKDONJSA-N -1 3 356.817 3.184 20 0 FGADHM Cc1cc(Nc2ccc(-c3nnn[n-]3)cn2)cnc1N1CCCC[C@H]1C ZINC000826271418 609563561 /nfs/dbraw/zinc/56/35/61/609563561.db2.gz QJXWNSLHXZUNIM-CYBMUJFWSA-N -1 3 350.430 3.088 20 0 FGADHM Cc1cc(Nc2ccc(-c3nn[n-]n3)cn2)cnc1N1CCCC[C@H]1C ZINC000826271418 609563563 /nfs/dbraw/zinc/56/35/63/609563563.db2.gz QJXWNSLHXZUNIM-CYBMUJFWSA-N -1 3 350.430 3.088 20 0 FGADHM Brc1ccc(NC[C@@H]2CCCCS2)c(-c2nnn[n-]2)c1 ZINC000823832315 609587802 /nfs/dbraw/zinc/58/78/02/609587802.db2.gz LXNRUULBMHFGSY-JTQLQIEISA-N -1 3 354.277 3.327 20 0 FGADHM Brc1ccc(NC[C@@H]2CCCCS2)c(-c2nn[n-]n2)c1 ZINC000823832315 609587803 /nfs/dbraw/zinc/58/78/03/609587803.db2.gz LXNRUULBMHFGSY-JTQLQIEISA-N -1 3 354.277 3.327 20 0 FGADHM CS[C@H](CNC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)C(C)(C)C ZINC000826225692 609609339 /nfs/dbraw/zinc/60/93/39/609609339.db2.gz IMPVZOMADWZBOT-SMDDNHRTSA-N -1 3 362.503 3.005 20 0 FGADHM CS[C@H](CNC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)C(C)(C)C ZINC000826225692 609609341 /nfs/dbraw/zinc/60/93/41/609609341.db2.gz IMPVZOMADWZBOT-SMDDNHRTSA-N -1 3 362.503 3.005 20 0 FGADHM O=C(OCc1ccc(Cl)cc1-c1nnn[n-]1)c1c(F)cc(F)cc1F ZINC000826465259 609615301 /nfs/dbraw/zinc/61/53/01/609615301.db2.gz FXRQFIVSHGMTPN-UHFFFAOYSA-N -1 3 368.702 3.294 20 0 FGADHM O=C(OCc1ccc(Cl)cc1-c1nn[n-]n1)c1c(F)cc(F)cc1F ZINC000826465259 609615303 /nfs/dbraw/zinc/61/53/03/609615303.db2.gz FXRQFIVSHGMTPN-UHFFFAOYSA-N -1 3 368.702 3.294 20 0 FGADHM O=C(Cc1cc(F)ccc1F)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826421710 609617829 /nfs/dbraw/zinc/61/78/29/609617829.db2.gz VRXIAEJRSXMHHO-UHFFFAOYSA-N -1 3 364.739 3.084 20 0 FGADHM O=C(Cc1cc(F)ccc1F)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826421710 609617831 /nfs/dbraw/zinc/61/78/31/609617831.db2.gz VRXIAEJRSXMHHO-UHFFFAOYSA-N -1 3 364.739 3.084 20 0 FGADHM C[C@@H]1CCC[C@@H](OCC(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)C1 ZINC000824926018 609618755 /nfs/dbraw/zinc/61/87/55/609618755.db2.gz IJLAVDGRZYYXPH-BXUZGUMPSA-N -1 3 364.833 3.159 20 0 FGADHM C[C@@H]1CCC[C@@H](OCC(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC000824926018 609618756 /nfs/dbraw/zinc/61/87/56/609618756.db2.gz IJLAVDGRZYYXPH-BXUZGUMPSA-N -1 3 364.833 3.159 20 0 FGADHM Cc1cc(C)c([C@H](C)OC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)c(C)c1 ZINC000826263106 609636663 /nfs/dbraw/zinc/63/66/63/609636663.db2.gz LOTZTHULAPMSKX-KSSFIOAISA-N -1 3 366.421 3.130 20 0 FGADHM Cc1cc(C)c([C@H](C)OC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)c(C)c1 ZINC000826263106 609636665 /nfs/dbraw/zinc/63/66/65/609636665.db2.gz LOTZTHULAPMSKX-KSSFIOAISA-N -1 3 366.421 3.130 20 0 FGADHM Cc1sc2[n-]c([C@@H](C)OC(=O)COc3ccccc3)nc(=O)c2c1C ZINC000006291710 695555988 /nfs/dbraw/zinc/55/59/88/695555988.db2.gz QHWRTMRVBBZKMY-LLVKDONJSA-N -1 3 358.419 3.285 20 0 FGADHM Cc1ccccc1CNC(=O)[C@@H](C)OC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000028752648 695705660 /nfs/dbraw/zinc/70/56/60/695705660.db2.gz LUWHLMIUWHRVKO-SNVBAGLBSA-N -1 3 355.221 3.492 20 0 FGADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)OC)c2)cc1C ZINC000032589881 695746675 /nfs/dbraw/zinc/74/66/75/695746675.db2.gz URRZZKGCQTUBHA-UHFFFAOYSA-N -1 3 367.398 3.120 20 0 FGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@H]2CCC[C@@H](C)C2)ccc1F ZINC000033101932 695749384 /nfs/dbraw/zinc/74/93/84/695749384.db2.gz DSEMYMQCCHLHMT-HIFRSBDPSA-N -1 3 370.490 3.163 20 0 FGADHM O=C1Nc2c(cc(F)cc2Br)C1=N[N-]c1ccc(Cl)nn1 ZINC000045330863 695819951 /nfs/dbraw/zinc/81/99/51/695819951.db2.gz SZAVVQWGWXQGOJ-UHFFFAOYSA-N -1 3 370.569 3.449 20 0 FGADHM CN(Cc1ccc(Br)s1)C(=O)c1cc2c(cc1[O-])OCO2 ZINC000048224089 695874968 /nfs/dbraw/zinc/87/49/68/695874968.db2.gz FSLZTMCUQZPJFG-UHFFFAOYSA-N -1 3 370.224 3.217 20 0 FGADHM COc1ccccc1S(=O)(=O)[N-]c1ccc(F)cc1Br ZINC000048655273 695886653 /nfs/dbraw/zinc/88/66/53/695886653.db2.gz XXWYNNBICDMZFS-UHFFFAOYSA-N -1 3 360.204 3.398 20 0 FGADHM O=C([N-]NC(=S)Nc1ccc(F)cc1F)c1ccc(Cl)cc1F ZINC000052539702 695923409 /nfs/dbraw/zinc/92/34/09/695923409.db2.gz AAYYYSSCNJCHCH-UHFFFAOYSA-N -1 3 359.760 3.389 20 0 FGADHM CC1(COC(=O)c2n[n-]c(-c3ccccc3)c2Br)COC1 ZINC000069582783 695951074 /nfs/dbraw/zinc/95/10/74/695951074.db2.gz DDHNMKPFAKYQRM-UHFFFAOYSA-N -1 3 351.200 3.033 20 0 FGADHM Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)cc1N1CCOC1=O ZINC000072760982 695962559 /nfs/dbraw/zinc/96/25/59/695962559.db2.gz CJUHUZKGMIPOQP-UHFFFAOYSA-N -1 3 364.398 3.200 20 0 FGADHM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(N3CCOCC3)c(F)c2)c1 ZINC000076195158 700227172 /nfs/dbraw/zinc/22/71/72/700227172.db2.gz FKGOAULCZBYWMR-UHFFFAOYSA-N -1 3 364.442 3.080 20 0 FGADHM O=S(=O)([N-]Cc1cccc(C(F)(F)F)c1)c1cccnc1Cl ZINC000076412568 700232196 /nfs/dbraw/zinc/23/21/96/700232196.db2.gz PLPOPJRKRFGKCJ-UHFFFAOYSA-N -1 3 350.749 3.232 20 0 FGADHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1cc(F)ccc1Br ZINC000078868674 700289495 /nfs/dbraw/zinc/28/94/95/700289495.db2.gz DAMNNAQHGCBNQW-UHFFFAOYSA-N -1 3 351.135 3.219 20 0 FGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000080467418 700318000 /nfs/dbraw/zinc/31/80/00/700318000.db2.gz BJHNAELBVREOEZ-UHFFFAOYSA-N -1 3 358.467 3.043 20 0 FGADHM COC[C@@H]([N-]S(=O)(=O)c1ccc(OC2CCCC2)cc1)c1ccco1 ZINC000080790304 700323238 /nfs/dbraw/zinc/32/32/38/700323238.db2.gz IEQVWCOCUJFSKV-QGZVFWFLSA-N -1 3 365.451 3.267 20 0 FGADHM N#CCOc1cccc(CC(=O)Nc2ccc(Br)cc2[O-])c1 ZINC000089738234 700394124 /nfs/dbraw/zinc/39/41/24/700394124.db2.gz YSQMEOGBOKBMGE-UHFFFAOYSA-N -1 3 361.195 3.238 20 0 FGADHM O=C(c1nnc2ccccc2c1[O-])N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000111650747 700550387 /nfs/dbraw/zinc/55/03/87/700550387.db2.gz HURZDIUBRQJVME-ZDUSSCGKSA-N -1 3 353.809 3.206 20 0 FGADHM O=S(=O)([N-]Cc1nc2ccccc2s1)c1cnc(Cl)c(Cl)c1 ZINC000132938645 700833024 /nfs/dbraw/zinc/83/30/24/700833024.db2.gz OOLUBJIJMDMPMB-UHFFFAOYSA-N -1 3 374.274 3.477 20 0 FGADHM CCCCCCNC(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000144892739 704887585 /nfs/dbraw/zinc/88/75/85/704887585.db2.gz PQMHHUFZUCSHLW-UHFFFAOYSA-N -1 3 357.476 3.159 20 0 FGADHM COc1ccc(Br)c(C(=O)[N-]NC(=O)C2(C)CCCCC2)c1 ZINC000152821108 704974533 /nfs/dbraw/zinc/97/45/33/704974533.db2.gz SGMGVWNPIRRAQU-UHFFFAOYSA-N -1 3 369.259 3.189 20 0 FGADHM O=C(N[C@H]1C[C@@H]1c1c(F)cccc1Cl)c1nnc2ccccc2c1[O-] ZINC000153410322 704997816 /nfs/dbraw/zinc/99/78/16/704997816.db2.gz LTABNPYFPMWKEW-HZMBPMFUSA-N -1 3 357.772 3.002 20 0 FGADHM O=C(/C=C/c1cncc(F)c1)NCc1ccc([O-])c(Br)c1 ZINC000156562513 705121920 /nfs/dbraw/zinc/12/19/20/705121920.db2.gz ASNFHJMCSOVUGV-DUXPYHPUSA-N -1 3 351.175 3.018 20 0 FGADHM C[C@H](C[C@@H](O)c1cccs1)[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000158094749 705172476 /nfs/dbraw/zinc/17/24/76/705172476.db2.gz INVJGUHIZBPNOD-BXKDBHETSA-N -1 3 363.863 3.331 20 0 FGADHM CCCOc1ccc(CNc2ccc(OC)c([N-]S(C)(=O)=O)c2)cc1 ZINC000158935745 705204687 /nfs/dbraw/zinc/20/46/87/705204687.db2.gz ATQHLWNXJDTHAB-UHFFFAOYSA-N -1 3 364.467 3.468 20 0 FGADHM O=S(=O)([N-]C[C@H]1Cc2ccccc21)c1ccc(Br)cc1F ZINC000161962697 705286605 /nfs/dbraw/zinc/28/66/05/705286605.db2.gz LCANODIRRLBIFF-LLVKDONJSA-N -1 3 370.243 3.206 20 0 FGADHM CC[C@](C)([N-]S(=O)(=O)c1ccc(Cl)nc1Cl)c1nccs1 ZINC000172664625 705425737 /nfs/dbraw/zinc/42/57/37/705425737.db2.gz BAZXQDSSCUOAKY-LBPRGKRZSA-N -1 3 366.295 3.449 20 0 FGADHM CCc1ccc([C@H](COC)[N-]S(=O)(=O)C2=Cc3ccccc3CC2)o1 ZINC000173354633 705455844 /nfs/dbraw/zinc/45/58/44/705455844.db2.gz XOFGDHOCTGWXFD-SFHVURJKSA-N -1 3 361.463 3.436 20 0 FGADHM Cn1c2ccc(F)cc2nc1[N-]S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000174028734 705483025 /nfs/dbraw/zinc/48/30/25/705483025.db2.gz NUFFOEGXFMYJIZ-UHFFFAOYSA-N -1 3 357.410 3.441 20 0 FGADHM O=S(=O)([N-]C[C@H]1[C@@H]2c3ccccc3C[C@H]12)c1ccc(Cl)nc1Cl ZINC000178436081 705664826 /nfs/dbraw/zinc/66/48/26/705664826.db2.gz NPFKOZHERFPTRA-LALPHHSUSA-N -1 3 369.273 3.253 20 0 FGADHM COc1ccc(C(F)(F)C(=O)[N-]CC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000179345700 705698312 /nfs/dbraw/zinc/69/83/12/705698312.db2.gz XNXJNAVLGFPPQX-UHFFFAOYSA-N -1 3 368.767 3.195 20 0 FGADHM O=C(Cc1ccc(Cl)cc1)N1CCN(Cc2cc(F)ccc2[O-])CC1 ZINC000179932267 705721164 /nfs/dbraw/zinc/72/11/64/705721164.db2.gz OYJIPFPUPQXMTE-UHFFFAOYSA-N -1 3 362.832 3.072 20 0 FGADHM COc1ccc(N[C@H](Cc2ccccc2)C2CC2)cc1[N-]S(C)(=O)=O ZINC000182727603 705858735 /nfs/dbraw/zinc/85/87/35/705858735.db2.gz CXXDKKAADJOJOP-QGZVFWFLSA-N -1 3 360.479 3.500 20 0 FGADHM CCC1(CC)[C@H](OC)C[C@@H]1Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000182731047 705858775 /nfs/dbraw/zinc/85/87/75/705858775.db2.gz JIDQWZJJMZTHQE-JKSUJKDBSA-N -1 3 356.488 3.072 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]C(C)(C)C(C)(F)F)c(Br)c1 ZINC000406817603 713994596 /nfs/dbraw/zinc/99/45/96/713994596.db2.gz DNUCVKOSMDJTRM-UHFFFAOYSA-N -1 3 356.232 3.470 20 0 FGADHM COc1ccc2c(c1)C=C(S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1)CC2 ZINC000184460472 712672299 /nfs/dbraw/zinc/67/22/99/712672299.db2.gz ZFQOMARVGZWPNM-UHFFFAOYSA-N -1 3 360.391 3.332 20 0 FGADHM CC[C@@H]1[C@@H](C)CCN1C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000187473214 712743518 /nfs/dbraw/zinc/74/35/18/712743518.db2.gz UUEOGMXJVXIGGF-SWLSCSKDSA-N -1 3 370.490 3.163 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]C[C@@H](O)c2ccc(Cl)cc2)sc1Cl ZINC000188015421 712759375 /nfs/dbraw/zinc/75/93/75/712759375.db2.gz HUBYDVMMZQTBJA-LLVKDONJSA-N -1 3 366.291 3.375 20 0 FGADHM CCN(CC)C(=O)c1ccc(NC(=O)c2cccc(O)c2[O-])cc1Cl ZINC000188177020 712763762 /nfs/dbraw/zinc/76/37/62/712763762.db2.gz UFJUZSZNQOPOLJ-UHFFFAOYSA-N -1 3 362.813 3.486 20 0 FGADHM [O-]c1ccc(Cl)c(F)c1CN[C@H](CN1CCOCC1)c1ccccc1 ZINC000190706170 712820712 /nfs/dbraw/zinc/82/07/12/712820712.db2.gz FIYUBZWHAPKGBU-QGZVFWFLSA-N -1 3 364.848 3.348 20 0 FGADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1ccc(OC(F)(F)Cl)cc1 ZINC000194371731 713519878 /nfs/dbraw/zinc/51/98/78/713519878.db2.gz GKZOWMIEGQBYCI-UHFFFAOYSA-N -1 3 356.638 3.244 20 0 FGADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1ccc(OC(F)(F)Cl)cc1 ZINC000194371731 713519880 /nfs/dbraw/zinc/51/98/80/713519880.db2.gz GKZOWMIEGQBYCI-UHFFFAOYSA-N -1 3 356.638 3.244 20 0 FGADHM CS[C@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(Br)s2)C1 ZINC000230624097 713577480 /nfs/dbraw/zinc/57/74/80/713577480.db2.gz QASQDTMZDQIDEB-YUMQZZPRSA-N -1 3 356.332 3.073 20 0 FGADHM C[C@@]1(CS(=O)(=O)[N-]CC(=O)c2cccc(Cl)c2Cl)CC1(F)F ZINC000641632745 717915485 /nfs/dbraw/zinc/91/54/85/717915485.db2.gz QYVBBFDQYSUSKV-LBPRGKRZSA-N -1 3 372.220 3.141 20 0 FGADHM Cc1nc(Cl)ccc1S(=O)(=O)[N-]c1ccncc1Br ZINC000311853765 713802273 /nfs/dbraw/zinc/80/22/73/713802273.db2.gz 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ZINC000522416974 714187861 /nfs/dbraw/zinc/18/78/61/714187861.db2.gz IMHCJDPWLNEYCC-UHFFFAOYSA-N -1 3 366.248 3.233 20 0 FGADHM CC[C@@H](NC(=O)CNC(=O)c1ccc([O-])cc1)c1ccc(Cl)s1 ZINC000523702585 714248285 /nfs/dbraw/zinc/24/82/85/714248285.db2.gz CHBSKXVKKNGVOK-GFCCVEGCSA-N -1 3 352.843 3.104 20 0 FGADHM CCCC[C@@H](COC)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000524243133 714274975 /nfs/dbraw/zinc/27/49/75/714274975.db2.gz TWALYTFFFBJILV-NSHDSACASA-N -1 3 357.369 3.328 20 0 FGADHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)c1ccc(Cl)c(Br)c1 ZINC000525967349 714391702 /nfs/dbraw/zinc/39/17/02/714391702.db2.gz FYHXFSLAOKXQET-GFCCVEGCSA-N -1 3 370.634 3.351 20 0 FGADHM O=S(=O)([N-]C[C@H]1COc2ccccc21)c1c(Cl)cccc1Cl ZINC000579757405 714497265 /nfs/dbraw/zinc/49/72/65/714497265.db2.gz UOJSVJNPHKPNDG-JTQLQIEISA-N -1 3 358.246 3.448 20 0 FGADHM CSc1ccc([O-])c(C(=O)N2C[C@H]3CN(c4ccccc4)C[C@H]3C2)c1 ZINC000615397788 714526453 /nfs/dbraw/zinc/52/64/53/714526453.db2.gz YOBWYAIPBXOMKY-GASCZTMLSA-N -1 3 354.475 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3.323 20 0 FGADHM Cc1ccc2ncc(C(=O)[O-])c(N3CCO[C@@H](CC(F)(F)F)C3)c2c1 ZINC000659788611 719936077 /nfs/dbraw/zinc/93/60/77/719936077.db2.gz QLOVDHIKYVVDSF-NSHDSACASA-N -1 3 354.328 3.399 20 0 FGADHM CCc1nc(S(=O)(=O)[N-][C@@H](CC(F)(F)F)C(C)C)cn1CC1CC1 ZINC000659951503 719962848 /nfs/dbraw/zinc/96/28/48/719962848.db2.gz YHZVGUPEWVNIKO-LBPRGKRZSA-N -1 3 367.437 3.111 20 0 FGADHM CC(C)[C@H](O)[C@H]([N-]S(=O)(=O)c1cc(F)cc(F)c1)c1ccccc1 ZINC000660029706 719976425 /nfs/dbraw/zinc/97/64/25/719976425.db2.gz MZLQOBCXZKQEPU-SJORKVTESA-N -1 3 355.406 3.001 20 0 FGADHM Cc1cc(=O)[n-]c(C(C)(C)NCC(=O)Nc2ccc(Cl)cc2Cl)n1 ZINC000660748414 720112272 /nfs/dbraw/zinc/11/22/72/720112272.db2.gz QQRDDHVZQIAYHZ-UHFFFAOYSA-N -1 3 369.252 3.261 20 0 FGADHM CC[C@H](COCC1CC1)NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000661507931 720266700 /nfs/dbraw/zinc/26/67/00/720266700.db2.gz HQDGWVHMXRUKQG-CYBMUJFWSA-N -1 3 371.275 3.159 20 0 FGADHM C[C@@]12COC[C@H]1CN(Cc1nc(=O)c3c(-c4ccco4)csc3[n-]1)C2 ZINC000661704620 720306171 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CSc1ccc([O-])c(C(=O)N2CCC(C(=O)N[C@H](C)C(C)C)CC2)c1 ZINC000667720355 721163542 /nfs/dbraw/zinc/16/35/42/721163542.db2.gz ICKLODIOQJEBRL-CYBMUJFWSA-N -1 3 364.511 3.127 20 0 FGADHM COCc1ccc(NC(=O)NCc2ncccc2[O-])cc1C(F)(F)F ZINC000667776664 721171525 /nfs/dbraw/zinc/17/15/25/721171525.db2.gz ZYQDQAWZHYTAHT-UHFFFAOYSA-N -1 3 355.316 3.274 20 0 FGADHM CSc1ccc([O-])c(C(=O)N2CCN([C@H](C)c3cccnc3)CC2)c1 ZINC000668781665 721355704 /nfs/dbraw/zinc/35/57/04/721355704.db2.gz AZFFCQHFZFBREG-CQSZACIVSA-N -1 3 357.479 3.028 20 0 FGADHM C[C@@H]1CN(Cc2cccc([O-])c2Br)C[C@@](C)(C(F)F)O1 ZINC000668821728 721365606 /nfs/dbraw/zinc/36/56/06/721365606.db2.gz KGPOGFDWJPHNBK-OTYXRUKQSA-N -1 3 350.203 3.399 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N[C@H](C)CF ZINC000673390628 721660945 /nfs/dbraw/zinc/66/09/45/721660945.db2.gz RWNFGTXTRFUTJY-GFCCVEGCSA-N -1 3 368.405 3.023 20 0 FGADHM Cc1cc(Cl)ccc1C(=O)N[C@H](C)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000673508949 721664582 /nfs/dbraw/zinc/66/45/82/721664582.db2.gz NXXXNJVAEORTQV-VXGBXAGGSA-N -1 3 361.829 3.142 20 0 FGADHM C[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)c1ccncc1 ZINC000674084649 721682298 /nfs/dbraw/zinc/68/22/98/721682298.db2.gz IDRKKXSSDSMLBH-SNVBAGLBSA-N -1 3 362.348 3.322 20 0 FGADHM CO[C@H](CNC(=O)c1cc(=O)c2ccccc2[n-]1)c1ccccc1Cl ZINC000675684043 721768260 /nfs/dbraw/zinc/76/82/60/721768260.db2.gz HDGMTDUYLRNGNR-GOSISDBHSA-N -1 3 356.809 3.299 20 0 FGADHM Cc1ncc(S(=O)(=O)[N-]Cc2sc(-c3ccccc3)nc2C)s1 ZINC000677239789 721875292 /nfs/dbraw/zinc/87/52/92/721875292.db2.gz YCOYKNVIBOLBLF-UHFFFAOYSA-N -1 3 365.505 3.362 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1csc(-c2ccccc2)n1)[C@H]1CCCCO1 ZINC000679012073 721996294 /nfs/dbraw/zinc/99/62/94/721996294.db2.gz KZBHBMHPFXNEEG-GXTWGEPZSA-N -1 3 352.481 3.046 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)[C@@H]1CCCCO1 ZINC000679011379 721996315 /nfs/dbraw/zinc/99/63/15/721996315.db2.gz DAJUSJYZGFRSEB-CABZTGNLSA-N -1 3 355.353 3.080 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)[C@H]1CCCCO1 ZINC000679012514 721996547 /nfs/dbraw/zinc/99/65/47/721996547.db2.gz TUSXDBJDKWOGDU-BXKDBHETSA-N -1 3 355.353 3.080 20 0 FGADHM CCC[C@H](C)NC(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000680634045 722141150 /nfs/dbraw/zinc/14/11/50/722141150.db2.gz IMQSEZZPRNJYPO-LBPRGKRZSA-N -1 3 361.467 3.257 20 0 FGADHM CS(=O)(=O)[N-]c1ccc(-c2nc([C@@H]3CCc4ccccc43)no2)cc1 ZINC000680748332 722152508 /nfs/dbraw/zinc/15/25/08/722152508.db2.gz VTXKBFBKHISRSX-MRXNPFEDSA-N -1 3 355.419 3.186 20 0 FGADHM O=c1[n-]c(SCCn2ccnc2)nc2c1cnn2-c1cccc(Cl)c1 ZINC000681647889 722215275 /nfs/dbraw/zinc/21/52/75/722215275.db2.gz UGIWUVDLVIJCAH-UHFFFAOYSA-N -1 3 372.841 3.163 20 0 FGADHM CC(C)(Cc1ccc(Br)cc1)NC(=O)c1cccc2n[n-]nc21 ZINC000682158217 722239264 /nfs/dbraw/zinc/23/92/64/722239264.db2.gz HGHRVDPXLPQSEP-UHFFFAOYSA-N -1 3 373.254 3.472 20 0 FGADHM CC(C)[C@@H](CNCc1cn(-c2ccc(Cl)c(Cl)c2)nn1)C(=O)[O-] ZINC000683171719 722283905 /nfs/dbraw/zinc/28/39/05/722283905.db2.gz PCVWOCBIBCZHRJ-GFCCVEGCSA-N -1 3 357.241 3.021 20 0 FGADHM COc1cc(C)c(Br)cc1S(=O)(=O)[N-]C(C)(C)C(F)F ZINC000684597700 722348735 /nfs/dbraw/zinc/34/87/35/722348735.db2.gz MTZYYQVRBZSHFD-UHFFFAOYSA-N -1 3 372.231 3.088 20 0 FGADHM CC(C)(CO)[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C1CC1 ZINC000685607829 722393996 /nfs/dbraw/zinc/39/39/96/722393996.db2.gz ANOLAVWEESBCIY-ZDUSSCGKSA-N -1 3 352.283 3.069 20 0 FGADHM COc1cc[n-]c(=NNC(=S)N[C@@H](C)c2ccc(Cl)cc2Cl)n1 ZINC000726458404 722434650 /nfs/dbraw/zinc/43/46/50/722434650.db2.gz WFPBOKRPHOYWOM-QMMMGPOBSA-N -1 3 372.281 3.344 20 0 FGADHM C[C@@H](NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)c1csc2ccccc21 ZINC000730034764 722464651 /nfs/dbraw/zinc/46/46/51/722464651.db2.gz FIQAYJGRKZJQKW-SNVBAGLBSA-N -1 3 350.399 3.276 20 0 FGADHM COC(=O)c1ccc([C@H](C)OC(=O)c2cccc(Br)c2[O-])o1 ZINC000730363869 722467800 /nfs/dbraw/zinc/46/78/00/722467800.db2.gz GGTUBIFJJIPRQZ-QMMMGPOBSA-N -1 3 369.167 3.452 20 0 FGADHM CCC[C@H](C)NC(=O)[C@H](C)OC(=O)c1cccc(Br)c1[O-] ZINC000730364659 722467891 /nfs/dbraw/zinc/46/78/91/722467891.db2.gz MAKCGBOMKSIUIX-UWVGGRQHSA-N -1 3 358.232 3.005 20 0 FGADHM COC(=O)c1oc(COC(=O)c2cccc(Br)c2[O-])cc1C ZINC000730366119 722467978 /nfs/dbraw/zinc/46/79/78/722467978.db2.gz ZRASREOZOMWSCR-UHFFFAOYSA-N -1 3 369.167 3.200 20 0 FGADHM CCC(C)(C)[N-]S(=O)(=O)c1cc(Br)cc(F)c1OC ZINC000730809261 722470962 /nfs/dbraw/zinc/47/09/62/722470962.db2.gz NTNCVTNZZOGNTG-UHFFFAOYSA-N -1 3 354.241 3.064 20 0 FGADHM COc1c(F)cc(Br)cc1S(=O)(=O)[N-][C@H]1CCC[C@@H]1C ZINC000730813718 722471071 /nfs/dbraw/zinc/47/10/71/722471071.db2.gz LTQPWKQLARZHNP-KWQFWETISA-N -1 3 366.252 3.064 20 0 FGADHM O=C(O[C@@H]1CCN(c2ccccc2F)C1=O)c1cc(Cl)c(Cl)[n-]1 ZINC000732842509 722489261 /nfs/dbraw/zinc/48/92/61/722489261.db2.gz MDEJDJBUHRZROT-GFCCVEGCSA-N -1 3 357.168 3.423 20 0 FGADHM O=S(=O)([N-][C@@H]1CCCOc2ccc(F)cc21)c1cccnc1Cl ZINC000738364609 722529933 /nfs/dbraw/zinc/52/99/33/722529933.db2.gz 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COc1cccc2c(C(=O)OCc3nc(C(F)(F)F)cs3)[n-]nc21 ZINC000808672379 725212825 /nfs/dbraw/zinc/21/28/25/725212825.db2.gz LRVYWDNNIOPYKA-UHFFFAOYSA-N -1 3 357.313 3.404 20 0 FGADHM CC(C)(C)CCCS(=O)(=O)[N-]C[C@@](O)(c1ccccc1)C(F)(F)F ZINC000809819809 725270819 /nfs/dbraw/zinc/27/08/19/725270819.db2.gz YZKUYOSSXDSKCU-OAHLLOKOSA-N -1 3 367.433 3.182 20 0 FGADHM C[C@@H](c1cc(F)ccc1F)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000810067367 725285870 /nfs/dbraw/zinc/28/58/70/725285870.db2.gz UTKCLSSHLNNVQZ-WDEREUQCSA-N -1 3 350.331 3.416 20 0 FGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C2(F)CCCCC2)cc1OC ZINC000810179377 725295133 /nfs/dbraw/zinc/29/51/33/725295133.db2.gz PIJGXGULIROENU-UHFFFAOYSA-N -1 3 358.435 3.068 20 0 FGADHM C[C@@H](CCC(C)(C)C)NC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000811882063 725383860 /nfs/dbraw/zinc/38/38/60/725383860.db2.gz DUXBIYQERRINCJ-STQMWFEESA-N -1 3 365.440 3.301 20 0 FGADHM CC1(CNC(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)CCCCC1 ZINC000811894078 725384198 /nfs/dbraw/zinc/38/41/98/725384198.db2.gz OMDLPZUJAUXALF-CYBMUJFWSA-N -1 3 363.424 3.057 20 0 FGADHM O=C([N-]C[C@H]1CCCN(C(=O)C(C2CCC2)C2CCC2)C1)C(F)(F)F ZINC000812277754 725392135 /nfs/dbraw/zinc/39/21/35/725392135.db2.gz YBIPLTSSQMUNMI-GFCCVEGCSA-N -1 3 360.420 3.120 20 0 FGADHM O=C([N-]C[C@H]1CCCN(C(=O)[C@@H]2CCCc3sccc32)C1)C(F)(F)F ZINC000812274563 725392172 /nfs/dbraw/zinc/39/21/72/725392172.db2.gz GSWHVXBOMHZCNG-DGCLKSJQSA-N -1 3 374.428 3.085 20 0 FGADHM O=C([N-]OC/C=C/Cl)[C@H]1CCCN(c2nc3ccccc3s2)C1 ZINC000812403032 725395996 /nfs/dbraw/zinc/39/59/96/725395996.db2.gz MPCHPHUJRLPEHM-GXWOQWCDSA-N -1 3 351.859 3.313 20 0 FGADHM CC1CC(OC(=O)c2cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c2)C1 ZINC000813230459 726853063 /nfs/dbraw/zinc/85/30/63/726853063.db2.gz UAQNIEUIXWTTEL-UHFFFAOYSA-N -1 3 351.346 3.032 20 0 FGADHM CC(C)(C)C(C)(C)CNC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000814329762 726956658 /nfs/dbraw/zinc/95/66/58/726956658.db2.gz YFBCNWWDDFZVCE-UHFFFAOYSA-N -1 3 370.490 3.069 20 0 FGADHM O=C(OCc1ccccc1)[C@@H]1CCCN1C(=O)c1cc([O-])ccc1Cl ZINC000815543887 727083071 /nfs/dbraw/zinc/08/30/71/727083071.db2.gz BURZKGZUFLZXOS-KRWDZBQOSA-N -1 3 359.809 3.394 20 0 FGADHM CCOc1cc(Br)c(CC(=O)[N-]OCC2CC2)cc1OCC ZINC000817362829 727243493 /nfs/dbraw/zinc/24/34/93/727243493.db2.gz RBZYYBZETODCJS-UHFFFAOYSA-N -1 3 372.259 3.247 20 0 FGADHM O=C([N-]OCCC1CC1)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000817446911 727252922 /nfs/dbraw/zinc/25/29/22/727252922.db2.gz WXRJURAJCYVJBA-QGZVFWFLSA-N -1 3 356.388 3.289 20 0 FGADHM Nc1ccc(C(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCCO2)c([O-])c1 ZINC000817923942 727287836 /nfs/dbraw/zinc/28/78/36/727287836.db2.gz ITCXXLXVBQFPTE-ZDUSSCGKSA-N -1 3 362.813 3.438 20 0 FGADHM COc1ccc(CC(=O)[N-]OCc2c(Cl)cncc2Cl)cc1OC ZINC000871731824 735539245 /nfs/dbraw/zinc/53/92/45/735539245.db2.gz UGXOZBUNKUWEBC-UHFFFAOYSA-N -1 3 371.220 3.196 20 0 FGADHM O=C(Nc1c([O-])cccc1Cl)C1=NN(Cc2ccccc2)C(=O)CC1 ZINC000820511122 729000715 /nfs/dbraw/zinc/00/07/15/729000715.db2.gz WIGYUOPIQKPJCT-UHFFFAOYSA-N -1 3 357.797 3.163 20 0 FGADHM C[C@H](OCc1ccccc1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820518827 729000960 /nfs/dbraw/zinc/00/09/60/729000960.db2.gz LPWOROPMYZOLRW-NSHDSACASA-N -1 3 357.801 3.064 20 0 FGADHM C[C@H](OCc1ccccc1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820518827 729000963 /nfs/dbraw/zinc/00/09/63/729000963.db2.gz LPWOROPMYZOLRW-NSHDSACASA-N -1 3 357.801 3.064 20 0 FGADHM O=S(=O)([N-]Cc1nc2ccccc2o1)c1ccc(F)cc1C(F)(F)F ZINC000820716787 729020825 /nfs/dbraw/zinc/02/08/25/729020825.db2.gz KDJIFEPEXCLLDS-UHFFFAOYSA-N -1 3 374.315 3.464 20 0 FGADHM COc1cccc(S([O-])=CC(=O)OCc2ccc(C(C)C)nc2C)c1 ZINC000821234914 729070642 /nfs/dbraw/zinc/07/06/42/729070642.db2.gz JDSKIEIBJJMWDP-VWLOTQADSA-N -1 3 361.463 3.373 20 0 FGADHM CSc1ccc([O-])c(C(=O)N2CCC(NC(=O)OC(C)(C)C)CC2)c1 ZINC000822377228 729168978 /nfs/dbraw/zinc/16/89/78/729168978.db2.gz GGHKVSSLQQWGFG-UHFFFAOYSA-N -1 3 366.483 3.243 20 0 FGADHM CN(Cc1cccc([O-])c1Br)C[C@@](C)(O)c1ccccc1 ZINC000822521012 729189896 /nfs/dbraw/zinc/18/98/96/729189896.db2.gz VLFAGQGXEXYZDW-QGZVFWFLSA-N -1 3 350.256 3.494 20 0 FGADHM CCOc1cc(-c2noc([C@H]3CCCCN3)n2)cc(Br)c1[O-] ZINC000823051607 729248228 /nfs/dbraw/zinc/24/82/28/729248228.db2.gz IESGQNFEKRPLOY-LLVKDONJSA-N -1 3 368.231 3.418 20 0 FGADHM Brc1ccc(NCCOCc2ccccc2)c(-c2nnn[n-]2)c1 ZINC000823831790 729307482 /nfs/dbraw/zinc/30/74/82/729307482.db2.gz CVVQTPZPQGOXJA-UHFFFAOYSA-N -1 3 374.242 3.258 20 0 FGADHM Brc1ccc(NCCOCc2ccccc2)c(-c2nn[n-]n2)c1 ZINC000823831790 729307484 /nfs/dbraw/zinc/30/74/84/729307484.db2.gz CVVQTPZPQGOXJA-UHFFFAOYSA-N -1 3 374.242 3.258 20 0 FGADHM CC(C)(C)Cc1csc(NC(=O)Cc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000824094506 729319208 /nfs/dbraw/zinc/31/92/08/729319208.db2.gz XLXBIZJDUONQKD-UHFFFAOYSA-N -1 3 356.455 3.093 20 0 FGADHM CC(C)(C)Cc1csc(NC(=O)Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000824094506 729319210 /nfs/dbraw/zinc/31/92/10/729319210.db2.gz XLXBIZJDUONQKD-UHFFFAOYSA-N -1 3 356.455 3.093 20 0 FGADHM C[C@H](NCc1c(F)c(F)cc(F)c1F)c1cccc(-c2nnn[n-]2)c1 ZINC000824607444 729350312 /nfs/dbraw/zinc/35/03/12/729350312.db2.gz XQEHSNOQKUFSKC-QMMMGPOBSA-N -1 3 351.307 3.274 20 0 FGADHM C[C@H](NCc1c(F)c(F)cc(F)c1F)c1cccc(-c2nn[n-]n2)c1 ZINC000824607444 729350313 /nfs/dbraw/zinc/35/03/13/729350313.db2.gz XQEHSNOQKUFSKC-QMMMGPOBSA-N -1 3 351.307 3.274 20 0 FGADHM C[C@H](Sc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C(=O)NC(C)(C)C ZINC000824753139 729357687 /nfs/dbraw/zinc/35/76/87/729357687.db2.gz CONUKZZSDRHHDW-QMMMGPOBSA-N -1 3 373.404 3.281 20 0 FGADHM C[C@H](Sc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C(=O)NC(C)(C)C ZINC000824753139 729357688 /nfs/dbraw/zinc/35/76/88/729357688.db2.gz CONUKZZSDRHHDW-QMMMGPOBSA-N -1 3 373.404 3.281 20 0 FGADHM CCCCC[C@@H](CC)C(=O)OCC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000825268655 729376255 /nfs/dbraw/zinc/37/62/55/729376255.db2.gz XHNWALDQTOFWBG-LLVKDONJSA-N -1 3 365.459 3.016 20 0 FGADHM CCCCC[C@@H](CC)C(=O)OCC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000825268655 729376259 /nfs/dbraw/zinc/37/62/59/729376259.db2.gz XHNWALDQTOFWBG-LLVKDONJSA-N -1 3 365.459 3.016 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)NC[C@@H]2CC=CC[C@H]2C(F)(F)F)c1 ZINC000825495624 729385399 /nfs/dbraw/zinc/38/53/99/729385399.db2.gz KUKRIQAWMUCJED-SMDDNHRTSA-N -1 3 356.344 3.225 20 0 FGADHM CCc1ccc([C@H](COC)Nc2ncc(Cl)c(C)c2-c2nnn[n-]2)o1 ZINC000825704643 729392079 /nfs/dbraw/zinc/39/20/79/729392079.db2.gz LKJLUQCLXOKKQC-LBPRGKRZSA-N -1 3 362.821 3.179 20 0 FGADHM CCc1ccc([C@H](COC)Nc2ncc(Cl)c(C)c2-c2nn[n-]n2)o1 ZINC000825704643 729392081 /nfs/dbraw/zinc/39/20/81/729392081.db2.gz LKJLUQCLXOKKQC-LBPRGKRZSA-N -1 3 362.821 3.179 20 0 FGADHM CC(C)(C)OC(=O)N[C@H]1C[C@H](CNC(=O)c2cc([O-])ccc2Cl)C1 ZINC000825993241 729401766 /nfs/dbraw/zinc/40/17/66/729401766.db2.gz DSPLEHDKLADXPI-XYPYZODXSA-N -1 3 354.834 3.079 20 0 FGADHM Cc1cccc(CNC(=O)CSc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000826298471 729406958 /nfs/dbraw/zinc/40/69/58/729406958.db2.gz UIJCNPQCPRIHOC-UHFFFAOYSA-N -1 3 373.869 3.237 20 0 FGADHM Cc1cccc(CNC(=O)CSc2cccc(Cl)c2-c2nn[n-]n2)c1 ZINC000826298471 729406959 /nfs/dbraw/zinc/40/69/59/729406959.db2.gz UIJCNPQCPRIHOC-UHFFFAOYSA-N -1 3 373.869 3.237 20 0 FGADHM Cc1noc(C2CC2)c1C(=O)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826339640 729407329 /nfs/dbraw/zinc/40/73/29/729407329.db2.gz MPULXXKABUNOSJ-UHFFFAOYSA-N -1 3 359.773 3.051 20 0 FGADHM Cc1noc(C2CC2)c1C(=O)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826339640 729407331 /nfs/dbraw/zinc/40/73/31/729407331.db2.gz MPULXXKABUNOSJ-UHFFFAOYSA-N -1 3 359.773 3.051 20 0 FGADHM Cc1ncc(CN[C@@H](c2cccc(-c3nnn[n-]3)c2)C(F)(F)F)s1 ZINC000826329430 729407380 /nfs/dbraw/zinc/40/73/80/729407380.db2.gz COGQQDICUPECHS-LBPRGKRZSA-N -1 3 354.361 3.025 20 0 FGADHM Cc1ncc(CN[C@@H](c2cccc(-c3nn[n-]n3)c2)C(F)(F)F)s1 ZINC000826329430 729407381 /nfs/dbraw/zinc/40/73/81/729407381.db2.gz COGQQDICUPECHS-LBPRGKRZSA-N -1 3 354.361 3.025 20 0 FGADHM Clc1ccc(COCCNc2ccc(-c3nnn[n-]3)cn2)c(Cl)c1 ZINC000826351805 729407454 /nfs/dbraw/zinc/40/74/54/729407454.db2.gz BQBOPJUYKFXIHJ-UHFFFAOYSA-N -1 3 365.224 3.197 20 0 FGADHM Clc1ccc(COCCNc2ccc(-c3nn[n-]n3)cn2)c(Cl)c1 ZINC000826351805 729407455 /nfs/dbraw/zinc/40/74/55/729407455.db2.gz BQBOPJUYKFXIHJ-UHFFFAOYSA-N -1 3 365.224 3.197 20 0 FGADHM O=C(CCCc1ccsc1)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826406573 729407966 /nfs/dbraw/zinc/40/79/66/729407966.db2.gz CPRAEBUHQDTWQO-UHFFFAOYSA-N -1 3 353.451 3.056 20 0 FGADHM O=C(CCCc1ccsc1)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826406573 729407967 /nfs/dbraw/zinc/40/79/67/729407967.db2.gz CPRAEBUHQDTWQO-UHFFFAOYSA-N -1 3 353.451 3.056 20 0 FGADHM O=C(Nc1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1)[C@H]1CCCCS1 ZINC000826459328 729408084 /nfs/dbraw/zinc/40/80/84/729408084.db2.gz FVOKZYFZLDFZFG-CYBMUJFWSA-N -1 3 372.479 3.214 20 0 FGADHM O=C(Nc1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1)[C@H]1CCCCS1 ZINC000826459328 729408086 /nfs/dbraw/zinc/40/80/86/729408086.db2.gz FVOKZYFZLDFZFG-CYBMUJFWSA-N -1 3 372.479 3.214 20 0 FGADHM C[C@@H]([N-]C(=O)C(F)(F)c1ccccc1Br)c1ccnn1C ZINC000828908169 729449537 /nfs/dbraw/zinc/44/95/37/729449537.db2.gz ISEJFVNOTFEXTN-SECBINFHSA-N -1 3 358.186 3.152 20 0 FGADHM C[C@@]1(C(=O)Nc2cccc([O-])c2F)CC1(Br)Br ZINC000831394802 729639208 /nfs/dbraw/zinc/63/92/08/729639208.db2.gz PEXBFAUJMOMVDG-JTQLQIEISA-N -1 3 367.012 3.366 20 0 FGADHM CCN1CC[C@H]([N-]C(=O)C(F)(F)CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000831978696 729679715 /nfs/dbraw/zinc/67/97/15/729679715.db2.gz XUUILVACYRUJTO-JSGCOSHPSA-N -1 3 350.331 3.401 20 0 FGADHM O=C(Cc1ccc(Br)c(Br)c1)[N-]OCC(F)F ZINC000832187165 729695504 /nfs/dbraw/zinc/69/55/04/729695504.db2.gz SPTKBUYXAMRACM-UHFFFAOYSA-N -1 3 372.991 3.067 20 0 FGADHM O=C1CCc2cc(Cl)c(S(=O)(=O)[N-]C[C@H]3CCCC3(F)F)cc21 ZINC000832188328 729695565 /nfs/dbraw/zinc/69/55/65/729695565.db2.gz XHZNURQYBKEEHM-SNVBAGLBSA-N -1 3 363.813 3.183 20 0 FGADHM O=C(N[C@@H]1CCSC2(CCC2)C1)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC000834704396 729827454 /nfs/dbraw/zinc/82/74/54/729827454.db2.gz BLIGHCPFQALAPY-SNVBAGLBSA-N -1 3 364.417 3.354 20 0 FGADHM COc1ccc(N[C@H]2CCCc3ccccc3C2)cc1[N-]S(C)(=O)=O ZINC000834744942 729830570 /nfs/dbraw/zinc/83/05/70/729830570.db2.gz WVSUKZDOQKVLJQ-INIZCTEOSA-N -1 3 360.479 3.426 20 0 FGADHM CC(C)(CO)O[N-]C(=O)Cc1cccc(OCc2ccc(Cl)cc2)c1 ZINC000836804140 729970685 /nfs/dbraw/zinc/97/06/85/729970685.db2.gz UKIVPKYVZBWZOV-UHFFFAOYSA-N -1 3 363.841 3.280 20 0 FGADHM CC(C)[C@@H](CO)O[N-]C(=O)Cc1csc2ccc(Br)cc12 ZINC000836900061 729973467 /nfs/dbraw/zinc/97/34/67/729973467.db2.gz RCNHCVLFOMMZAE-CYBMUJFWSA-N -1 3 372.284 3.271 20 0 FGADHM COc1ccc(S[C@@H](C)C(=O)OCc2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC000837451600 730031020 /nfs/dbraw/zinc/03/10/20/730031020.db2.gz LCYZEGGQBJGGGS-NSHDSACASA-N -1 3 360.435 3.292 20 0 FGADHM Cc1nn(Cc2ccc(F)cc2)c(Cl)c1CN1CC[C@](C)(C(=O)[O-])C1 ZINC000840998630 730202325 /nfs/dbraw/zinc/20/23/25/730202325.db2.gz LKIJXELCPNEIED-SFHVURJKSA-N -1 3 365.836 3.329 20 0 FGADHM C[C@@H]1CCCc2nc(S(=O)(=O)[N-]CC[C@@]3(C)CC3(Cl)Cl)cn21 ZINC000841526719 730253318 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Cc1ccc(C(=O)Nc2ccc(N3C(=O)CCCC3=O)cc2)c([O-])c1C ZINC000052993668 494082388 /nfs/dbraw/zinc/08/23/88/494082388.db2.gz LAFCIGIOCNYXAO-UHFFFAOYSA-N -1 3 352.390 3.305 20 0 FGADHM CCCCOc1ncccc1CNC(=O)c1c[n-]c2ccccc2c1=O ZINC000063821461 494091939 /nfs/dbraw/zinc/09/19/39/494091939.db2.gz VQCDTOUFWGSIMV-UHFFFAOYSA-N -1 3 351.406 3.032 20 0 FGADHM Cc1ccc(C(=O)N2CCN(C(=O)c3ccc(C(C)C)cc3[O-])CC2)cc1 ZINC000053089732 494092492 /nfs/dbraw/zinc/09/24/92/494092492.db2.gz WZROZPMLJZTFCD-UHFFFAOYSA-N -1 3 366.461 3.422 20 0 FGADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1cc2cc(Br)ccc2[nH]1 ZINC000036744141 494097976 /nfs/dbraw/zinc/09/79/76/494097976.db2.gz HCULKJLEHHERNX-UHFFFAOYSA-N -1 3 374.120 3.320 20 0 FGADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1cc2cc(Br)ccc2[nH]1 ZINC000036744141 494097979 /nfs/dbraw/zinc/09/79/79/494097979.db2.gz HCULKJLEHHERNX-UHFFFAOYSA-N -1 3 374.120 3.320 20 0 FGADHM O=S(=O)([N-]CCN1CCCCCC1)c1cc(Cl)sc1Cl ZINC000038638075 494115992 /nfs/dbraw/zinc/11/59/92/494115992.db2.gz HFRUTWPEGUHJLB-UHFFFAOYSA-N -1 3 357.328 3.209 20 0 FGADHM O=c1[n-]c(=O)n(C2CC2)c2nc(C3CC3)nc(SC3CCCCC3)c12 ZINC000064368331 494117275 /nfs/dbraw/zinc/11/72/75/494117275.db2.gz UULWODWNPZAWDR-UHFFFAOYSA-N -1 3 358.467 3.117 20 0 FGADHM CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000064458942 494125025 /nfs/dbraw/zinc/12/50/25/494125025.db2.gz VXDLGRSBDXXVDO-UHFFFAOYSA-N -1 3 363.826 3.339 20 0 FGADHM O=C(NCCCOC[C@H]1CCOC1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000077617204 494127049 /nfs/dbraw/zinc/12/70/49/494127049.db2.gz CPWVEGAHSMVJHS-LJQANCHMSA-N -1 3 369.461 3.156 20 0 FGADHM CC1CCC(N(C[C@H]2CCCO2)C(=O)c2cc(=O)[n-]c(C3CC3)n2)CC1 ZINC000577296394 505702224 /nfs/dbraw/zinc/70/22/24/505702224.db2.gz ZHZDFRRZVPULNF-AVVWSFFYSA-N -1 3 359.470 3.260 20 0 FGADHM Cc1ccc(-c2cnc(CCC(=O)Nc3nnc(-c4ccccn4)[n-]3)o2)cc1 ZINC000053525769 494142351 /nfs/dbraw/zinc/14/23/51/494142351.db2.gz DTKPNWDTQMFGTF-UHFFFAOYSA-N -1 3 374.404 3.401 20 0 FGADHM Cc1ccc(-c2cnc(CCC(=O)Nc3nc(-c4ccccn4)n[n-]3)o2)cc1 ZINC000053525769 494142354 /nfs/dbraw/zinc/14/23/54/494142354.db2.gz DTKPNWDTQMFGTF-UHFFFAOYSA-N -1 3 374.404 3.401 20 0 FGADHM Cc1ccc(-c2cnc(CCC(=O)Nc3n[n-]c(-c4ccccn4)n3)o2)cc1 ZINC000053525769 494142359 /nfs/dbraw/zinc/14/23/59/494142359.db2.gz DTKPNWDTQMFGTF-UHFFFAOYSA-N -1 3 374.404 3.401 20 0 FGADHM O=S(=O)([N-]Cc1ccc(C(F)(F)F)cc1)c1cc(F)cc(F)c1 ZINC000010518258 494155674 /nfs/dbraw/zinc/15/56/74/494155674.db2.gz DRUZOSLKIBQJBD-UHFFFAOYSA-N -1 3 351.296 3.462 20 0 FGADHM O=c1[n-]nc(SCCOc2cccc3ccccc32)n1C[C@H]1CCCO1 ZINC000064927020 494158665 /nfs/dbraw/zinc/15/86/65/494158665.db2.gz HIGYIMUPXRWXLR-OAHLLOKOSA-N -1 3 371.462 3.075 20 0 FGADHM C[C@H](c1ccccc1)N1CC[C@H]([N-]S(=O)(=O)c2cc(F)ccc2F)C1 ZINC000053686527 494159078 /nfs/dbraw/zinc/15/90/78/494159078.db2.gz FIDVWPCLUJVYCO-CJNGLKHVSA-N -1 3 366.433 3.079 20 0 FGADHM C[C@@H]1C[C@H](C)CN(C(C)(C)C[N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000064957641 494161653 /nfs/dbraw/zinc/16/16/53/494161653.db2.gz KHBMNVZVSFFIBC-TXEJJXNPSA-N -1 3 364.964 3.436 20 0 FGADHM O=C(NCCNC(=O)c1ccc([O-])cc1)c1sccc1-c1ccccc1 ZINC000053741173 494161580 /nfs/dbraw/zinc/16/15/80/494161580.db2.gz VNAOOFOIYUCHCJ-UHFFFAOYSA-N -1 3 366.442 3.281 20 0 FGADHM CN1CCN(Cc2cccc(NC(=O)c3ccc([O-])c(Cl)c3)c2)CC1 ZINC000065309282 494188988 /nfs/dbraw/zinc/18/89/88/494188988.db2.gz SVCRHNFXWIUAFU-UHFFFAOYSA-N -1 3 359.857 3.045 20 0 FGADHM CC[C@@H](Sc1[n-]c(=O)nc(C)c1C(=O)OC)c1ccc(F)cc1F ZINC000077911878 494199931 /nfs/dbraw/zinc/19/99/31/494199931.db2.gz LPEJYBFADGGGHK-GFCCVEGCSA-N -1 3 354.378 3.387 20 0 FGADHM O=c1[n-]c(SCc2nc3ccccc3[nH]2)nc2c1cnn2-c1ccccc1 ZINC000042110279 494201289 /nfs/dbraw/zinc/20/12/89/494201289.db2.gz KTVKBGXBZVGPRE-UHFFFAOYSA-N -1 3 374.429 3.277 20 0 FGADHM CCc1cnc(CN2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)o1 ZINC000072578210 494208716 /nfs/dbraw/zinc/20/87/16/494208716.db2.gz HUSRDLNQNNNYGH-UHFFFAOYSA-N -1 3 363.845 3.447 20 0 FGADHM CC(C)CC1(CNC(=O)c2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)CCCC1 ZINC000088202555 494213214 /nfs/dbraw/zinc/21/32/14/494213214.db2.gz AVQZBLCFOSEHDL-FQEVSTJZSA-N -1 3 371.481 3.078 20 0 FGADHM COc1cccc(C(=O)N(C)Cc2cccc(Br)c2)c1[O-] ZINC000042355204 494219114 /nfs/dbraw/zinc/21/91/14/494219114.db2.gz YXCHKJYZEQEGPE-UHFFFAOYSA-N -1 3 350.212 3.436 20 0 FGADHM O=C(CC1CCN(C(=O)c2cc3c(cc2[O-])CCCC3)CC1)N1CCCC1 ZINC000065618431 494220329 /nfs/dbraw/zinc/22/03/29/494220329.db2.gz HNROFEZKQNDUFZ-UHFFFAOYSA-N -1 3 370.493 3.136 20 0 FGADHM CCc1c(C(=O)[N-]c2c(C)noc2C)nnn1-c1ccc(OC(C)C)cc1 ZINC000078097820 494230939 /nfs/dbraw/zinc/23/09/39/494230939.db2.gz TYLXHGDXZZQCRE-UHFFFAOYSA-N -1 3 369.425 3.474 20 0 FGADHM Cc1ccc(CCC2CCN(Cc3nc4c(cnn4C)c(=O)[n-]3)CC2)cc1 ZINC000054417960 494233912 /nfs/dbraw/zinc/23/39/12/494233912.db2.gz YMCBQHRTXHUCGX-UHFFFAOYSA-N -1 3 365.481 3.222 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)C1CCOCC1 ZINC000072719008 494239744 /nfs/dbraw/zinc/23/97/44/494239744.db2.gz ZOLAVHXMBWUKEK-LBPRGKRZSA-N -1 3 352.283 3.477 20 0 FGADHM CCN(C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)[C@H](C)c1ccc(F)cc1 ZINC000065803304 494240144 /nfs/dbraw/zinc/24/01/44/494240144.db2.gz DERVSKCCNPKOEY-LLVKDONJSA-N -1 3 355.369 3.324 20 0 FGADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N1CCC[C@@H]1c1cccc(F)c1 ZINC000065816881 494242103 /nfs/dbraw/zinc/24/21/03/494242103.db2.gz ACQYWFFMRURWTM-MRXNPFEDSA-N -1 3 353.353 3.078 20 0 FGADHM O=S(=O)([N-][C@@H]1CCCC[C@@H]1n1cccn1)c1ccc(Cl)cc1F ZINC000072729179 494242845 /nfs/dbraw/zinc/24/28/45/494242845.db2.gz YPAGWDZJHBXPBY-KGLIPLIRSA-N -1 3 357.838 3.138 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]c2cccn(Cc3ccccc3)c2=O)s1 ZINC000088547937 494248904 /nfs/dbraw/zinc/24/89/04/494248904.db2.gz GCQHMRSGHRMXLR-UHFFFAOYSA-N -1 3 360.460 3.067 20 0 FGADHM COc1cc([C@@H]2Nc3ccccc3C(=O)N2C)cc(Br)c1[O-] ZINC000072789999 494250638 /nfs/dbraw/zinc/25/06/38/494250638.db2.gz PCHZYSBRPWOOOM-OAHLLOKOSA-N -1 3 363.211 3.360 20 0 FGADHM O=S(=O)(CCOc1ccc(F)cc1)[N-]c1cccc(OC(F)F)c1 ZINC000078237319 494259732 /nfs/dbraw/zinc/25/97/32/494259732.db2.gz PZGLQQOCSOWVJD-UHFFFAOYSA-N -1 3 361.341 3.248 20 0 FGADHM CCSc1cccc(NC(=O)c2ccc([N-]S(C)(=O)=O)cc2)c1 ZINC000072875320 494273662 /nfs/dbraw/zinc/27/36/62/494273662.db2.gz RXDHKPQSUPDJPQ-UHFFFAOYSA-N -1 3 350.465 3.422 20 0 FGADHM Cc1c(C(=O)[N-]c2nnc(-c3ccco3)s2)nnn1-c1ccc(C)cc1 ZINC000055069406 494296998 /nfs/dbraw/zinc/29/69/98/494296998.db2.gz LLAWWMYWWBLVSY-UHFFFAOYSA-N -1 3 366.406 3.248 20 0 FGADHM COc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1Br ZINC000078467880 494301365 /nfs/dbraw/zinc/30/13/65/494301365.db2.gz LTOXGSQFJCQYBO-UHFFFAOYSA-N -1 3 360.204 3.398 20 0 FGADHM Cc1c(COC(C)(C)C)cccc1NC(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000571348758 505712048 /nfs/dbraw/zinc/71/20/48/505712048.db2.gz ZYOJZRMQVPALJR-UHFFFAOYSA-N -1 3 358.442 3.124 20 0 FGADHM CCCc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(NC(C)=O)c2)cc1 ZINC000043587579 494307310 /nfs/dbraw/zinc/30/73/10/494307310.db2.gz QFSKQBSDKUVIEK-UHFFFAOYSA-N -1 3 362.451 3.407 20 0 FGADHM CCCOc1ccc(CNC(=O)c2cc(NC(C)=O)ccc2[O-])cc1OC ZINC000055228999 494316751 /nfs/dbraw/zinc/31/67/51/494316751.db2.gz HVZLTISLMIKLDK-UHFFFAOYSA-N -1 3 372.421 3.078 20 0 FGADHM COc1ccc(C(=O)NCCc2ccc(Br)s2)c([O-])c1 ZINC000014418020 494318399 /nfs/dbraw/zinc/31/83/99/494318399.db2.gz ZSYUHMKBSMOIAD-UHFFFAOYSA-N -1 3 356.241 3.197 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Sc3nncn3C)cc2)c(C)c1 ZINC000014706715 494322875 /nfs/dbraw/zinc/32/28/75/494322875.db2.gz YEDPEYSUHBUOKQ-UHFFFAOYSA-N -1 3 374.491 3.384 20 0 FGADHM CCCC1CCC(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])CC1 ZINC000055433010 494343830 /nfs/dbraw/zinc/34/38/30/494343830.db2.gz GCTDKBKFTBXBFY-HTWSVDAQSA-N -1 3 358.482 3.472 20 0 FGADHM CN(Cc1ccc(OCC(=O)[O-])cc1)Cc1ccc(OC(F)F)cc1 ZINC000568521959 505714755 /nfs/dbraw/zinc/71/47/55/505714755.db2.gz NYLXFYJBMTVARN-UHFFFAOYSA-N -1 3 351.349 3.383 20 0 FGADHM O=S(=O)([N-][C@H](c1ccccc1)C1CC1)c1cncc(Br)c1 ZINC000044244584 494344592 /nfs/dbraw/zinc/34/45/92/494344592.db2.gz KDVIBELYJKQROY-OAHLLOKOSA-N -1 3 367.268 3.274 20 0 FGADHM O=C(Cc1nc(=O)c2c3c(sc2[n-]1)CCCC3)Nc1ccc(F)cc1 ZINC000055491490 494351856 /nfs/dbraw/zinc/35/18/56/494351856.db2.gz XWHYFLWSTXNFIE-UHFFFAOYSA-N -1 3 357.410 3.184 20 0 FGADHM Cc1nn(C)c2sc(C(=O)[N-]c3n[nH]c(-c4ccc(C)cc4)n3)cc12 ZINC000073303377 494352629 /nfs/dbraw/zinc/35/26/29/494352629.db2.gz SYIOVCXSYWTNOI-UHFFFAOYSA-N -1 3 352.423 3.289 20 0 FGADHM CCCCNC(=O)Cc1nc(=O)c2c(-c3ccc(C)cc3)csc2[n-]1 ZINC000055494864 494352951 /nfs/dbraw/zinc/35/29/51/494352951.db2.gz OKJYTSVZRQEYGB-UHFFFAOYSA-N -1 3 355.463 3.419 20 0 FGADHM O=C(Cc1nc(=O)c2c3c(sc2[n-]1)CCCCC3)NC1CCCCC1 ZINC000055502376 494354104 /nfs/dbraw/zinc/35/41/04/494354104.db2.gz MWYFSFHRTUONOU-UHFFFAOYSA-N -1 3 359.495 3.245 20 0 FGADHM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc2c(c1)NC(=O)[C@H](C)O2 ZINC000055576578 494364155 /nfs/dbraw/zinc/36/41/55/494364155.db2.gz MCKIKNOSZMEGRF-JTQLQIEISA-N -1 3 366.826 3.169 20 0 FGADHM CN(C)C(=O)c1ccc(Cl)c([N-]S(=O)(=O)CCc2ccccc2)c1 ZINC000055585762 494367034 /nfs/dbraw/zinc/36/70/34/494367034.db2.gz XZEGYFGPXQKJGC-UHFFFAOYSA-N -1 3 366.870 3.026 20 0 FGADHM COc1cc(C)c(S(=O)(=O)[N-]c2cc(NC(C)=O)ccc2C)cc1C ZINC000055589385 494367542 /nfs/dbraw/zinc/36/75/42/494367542.db2.gz SNVWTDBCIXVLIG-UHFFFAOYSA-N -1 3 362.451 3.380 20 0 FGADHM CC(C)OCc1nc([C@H](C)[N-]S(=O)(=O)c2ccccc2C(C)C)no1 ZINC000571366732 505716314 /nfs/dbraw/zinc/71/63/14/505716314.db2.gz KWLRUPDEQWPNLX-ZDUSSCGKSA-N -1 3 367.471 3.158 20 0 FGADHM Cc1nc(C)c(CCC(=O)N2c3ccccc3CC[C@@H]2C(C)C)c(=O)[n-]1 ZINC000089828655 494375730 /nfs/dbraw/zinc/37/57/30/494375730.db2.gz YPRGWFTYSOVSGQ-GOSISDBHSA-N -1 3 353.466 3.323 20 0 FGADHM Cc1ccc(Br)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000055630228 494377013 /nfs/dbraw/zinc/37/70/13/494377013.db2.gz WEBOWAFZMDISPG-UHFFFAOYSA-N -1 3 368.252 3.493 20 0 FGADHM CC[C@@H](C)n1ncc(C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)c1C1CC1 ZINC000089852446 494381710 /nfs/dbraw/zinc/38/17/10/494381710.db2.gz RYJLOQYAPNHFPO-GFCCVEGCSA-N -1 3 365.441 3.088 20 0 FGADHM CC[C@@H](C)n1ncc(C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)c1C1CC1 ZINC000089852446 494381715 /nfs/dbraw/zinc/38/17/15/494381715.db2.gz RYJLOQYAPNHFPO-GFCCVEGCSA-N -1 3 365.441 3.088 20 0 FGADHM O=C(Nc1ccc2ccccc2n1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000044907274 494388389 /nfs/dbraw/zinc/38/83/89/494388389.db2.gz HPQYFAPUQHTWIR-KRWDZBQOSA-N -1 3 361.401 3.184 20 0 FGADHM C[C@H](CN(C)C(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)c1ccccc1 ZINC000066714785 494393419 /nfs/dbraw/zinc/39/34/19/494393419.db2.gz IXWBYJOACRWAAL-CYBMUJFWSA-N -1 3 364.442 3.073 20 0 FGADHM COc1ccc([O-])c(C(=O)Nc2cccc(C(=O)N3CCCCC3)c2)c1 ZINC000079064336 494398718 /nfs/dbraw/zinc/39/87/18/494398718.db2.gz WPGQQAIENMLSDO-UHFFFAOYSA-N -1 3 354.406 3.279 20 0 FGADHM CC(C)CCC[C@@H](C)NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000079082597 494401044 /nfs/dbraw/zinc/40/10/44/494401044.db2.gz NRRMRGTZSWTOLZ-MRXNPFEDSA-N -1 3 361.486 3.074 20 0 FGADHM Cc1ccc(CS(=O)(=O)[N-][C@@H](C)c2noc(-c3ccccc3)n2)cc1 ZINC000574210953 505720953 /nfs/dbraw/zinc/72/09/53/505720953.db2.gz GIAGRDMJRMHQHR-AWEZNQCLSA-N -1 3 357.435 3.226 20 0 FGADHM Cc1cccc(C(C)C)c1NC(=O)CCn1[n-]c(=O)c2ccccc2c1=O ZINC000018116159 494425020 /nfs/dbraw/zinc/42/50/20/494425020.db2.gz RBXALJHNLCAVGO-UHFFFAOYSA-N -1 3 365.433 3.150 20 0 FGADHM CC[C@@H](c1ccccc1)N(CC(=O)[O-])Cc1cnn(C)c1C(F)(F)F ZINC000577411250 505722114 /nfs/dbraw/zinc/72/21/14/505722114.db2.gz IMBGIPNEXCEFRN-AWEZNQCLSA-N -1 3 355.360 3.477 20 0 FGADHM O=C(NCC1(c2ccc(Cl)cc2)CC1)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000067018018 494456758 /nfs/dbraw/zinc/45/67/58/494456758.db2.gz MGYDMYNVKBDBIA-UHFFFAOYSA-N -1 3 369.808 3.077 20 0 FGADHM CC1CCN(CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000045745076 494456940 /nfs/dbraw/zinc/45/69/40/494456940.db2.gz DSRAILPMAIEHML-UHFFFAOYSA-N -1 3 351.299 3.004 20 0 FGADHM Cc1ccc(NC(=O)C(C)C)cc1NCc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000090371372 494460382 /nfs/dbraw/zinc/46/03/82/494460382.db2.gz AZPUZROOQNAJOC-UHFFFAOYSA-N -1 3 368.359 3.304 20 0 FGADHM O=S(=O)([N-][C@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1ccccc1F ZINC000056138204 494460587 /nfs/dbraw/zinc/46/05/87/494460587.db2.gz YGGKFDIHXIBDCP-DOTOQJQBSA-N -1 3 353.390 3.163 20 0 FGADHM O=S(=O)([N-]Cc1ccoc1)c1ccc(Br)cc1Cl ZINC000045814222 494466304 /nfs/dbraw/zinc/46/63/04/494466304.db2.gz JJPHSZZALIURSL-UHFFFAOYSA-N -1 3 350.621 3.174 20 0 FGADHM C[C@H](c1cccc(F)c1)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000056281695 494481408 /nfs/dbraw/zinc/48/14/08/494481408.db2.gz AFZOYKJXFJLMGS-CYBMUJFWSA-N -1 3 368.499 3.391 20 0 FGADHM C[C@@H]1Oc2ccccc2[C@@H]1[N-]S(=O)(=O)Cc1cc(Cl)ccc1F ZINC000571410709 505727086 /nfs/dbraw/zinc/72/70/86/505727086.db2.gz KQTQJSIRQKJZTJ-MGPLVRAMSA-N -1 3 355.818 3.421 20 0 FGADHM CCCN1C(=O)CCc2cc(N[C@@H](C)C(=O)[N-]c3cc(C)no3)ccc21 ZINC000090997864 494509125 /nfs/dbraw/zinc/50/91/25/494509125.db2.gz ZBMONEFXINXWTH-ZDUSSCGKSA-N -1 3 356.426 3.111 20 0 FGADHM CC[C@H]1CN(C(=O)CCc2c(C)nc(C)[n-]c2=O)CC[C@@H]1c1ccccc1 ZINC000074281936 494509676 /nfs/dbraw/zinc/50/96/76/494509676.db2.gz DMLKYPLEMQWSFZ-PXNSSMCTSA-N -1 3 367.493 3.362 20 0 FGADHM Cc1nc2cc([N-]S(=O)(=O)c3ccc(OC(C)C)cc3)ccc2n1C ZINC000091051785 494519635 /nfs/dbraw/zinc/51/96/35/494519635.db2.gz FEVMWBBYQUICGV-UHFFFAOYSA-N -1 3 359.451 3.470 20 0 FGADHM COC[C@H]([N-]S(=O)(=O)c1cc(C)cc(F)c1)c1ccc(F)c(F)c1 ZINC000091056486 494520777 /nfs/dbraw/zinc/52/07/77/494520777.db2.gz RKVSCFBBIRTNMM-INIZCTEOSA-N -1 3 359.369 3.078 20 0 FGADHM Cc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)c(C)cc1Br ZINC000092287090 494585232 /nfs/dbraw/zinc/58/52/32/494585232.db2.gz UHBQCADMYJAMPV-UHFFFAOYSA-N -1 3 372.226 3.498 20 0 FGADHM Cc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)c(C)cc1Br ZINC000092287090 494585237 /nfs/dbraw/zinc/58/52/37/494585237.db2.gz UHBQCADMYJAMPV-UHFFFAOYSA-N -1 3 372.226 3.498 20 0 FGADHM CN(Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1)C[C@@H]1CCCOC1 ZINC000107690279 494585544 /nfs/dbraw/zinc/58/55/44/494585544.db2.gz IVSUNYLKCMTEBR-LBPRGKRZSA-N -1 3 359.451 3.103 20 0 FGADHM 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Cc1ccc(S(=O)(=O)NCc2ccc([O-])c(Br)c2)c(C)c1 ZINC000127252011 494917069 /nfs/dbraw/zinc/91/70/69/494917069.db2.gz HIRUEZDRGSANEH-UHFFFAOYSA-N -1 3 370.268 3.250 20 0 FGADHM O=S(=O)(Cc1cccc2cccnc21)[N-]Cc1nc2ccccc2s1 ZINC000109842103 494923773 /nfs/dbraw/zinc/92/37/73/494923773.db2.gz FPKLDZALMSNMNO-UHFFFAOYSA-N -1 3 369.471 3.464 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N[C@H](CCO)C3CCCCC3)c[n-]c12 ZINC000127335499 494930012 /nfs/dbraw/zinc/93/00/12/494930012.db2.gz ZGWSVORZTSAWOT-QGZVFWFLSA-N -1 3 360.429 3.037 20 0 FGADHM Cc1ccc([N-]S(=O)(=O)c2c(F)cccc2F)c(OCCN(C)C)c1 ZINC000127389845 494937824 /nfs/dbraw/zinc/93/78/24/494937824.db2.gz XHKVQJFXPGHCIL-UHFFFAOYSA-N -1 3 370.421 3.014 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc4n[nH]cc4c3)c2)n1 ZINC000110056432 494944417 /nfs/dbraw/zinc/94/44/17/494944417.db2.gz JWURLWRAWMUUKA-UHFFFAOYSA-N -1 3 359.389 3.128 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H](C)c3c(C)n[nH]c3C)c2)n1 ZINC000110056426 494944583 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Cc1ccc(C(=O)NCCc2nc(-c3ccccc3Cl)no2)c([O-])c1 ZINC000186107003 495858055 /nfs/dbraw/zinc/85/80/55/495858055.db2.gz ZQSWSMSLNQWHPN-UHFFFAOYSA-N -1 3 357.797 3.377 20 0 FGADHM C[C@H](c1ccc(C(F)(F)F)cc1)N1CCC(n2cc(C(=O)[O-])nn2)CC1 ZINC000580660960 505808017 /nfs/dbraw/zinc/80/80/17/505808017.db2.gz YLSYLYCTFXADNM-LLVKDONJSA-N -1 3 368.359 3.393 20 0 FGADHM O=S(=O)([N-]CCC[C@@H]1CCCCO1)c1ccc(F)cc1C(F)(F)F ZINC000186170129 495882733 /nfs/dbraw/zinc/88/27/33/495882733.db2.gz IYQMCGKBMHXFKP-LBPRGKRZSA-N -1 3 369.380 3.472 20 0 FGADHM O=C([O-])c1ccc(OCCN2CC[C@H](C3CCOCC3)C2)c(Cl)c1 ZINC000577878338 505810539 /nfs/dbraw/zinc/81/05/39/505810539.db2.gz DXXFMLIUDVODRW-HNNXBMFYSA-N -1 3 353.846 3.166 20 0 FGADHM O=C(CCCc1ccccc1)N1CCN(Cc2cc([O-])cc(F)c2)CC1 ZINC000186204098 495895628 /nfs/dbraw/zinc/89/56/28/495895628.db2.gz LUEPKNFUAHTBIW-UHFFFAOYSA-N -1 3 356.441 3.198 20 0 FGADHM Cc1c(C(=O)NCc2ccc([O-])c(Br)c2)cnn1C(C)(C)C ZINC000151640316 495902727 /nfs/dbraw/zinc/90/27/27/495902727.db2.gz 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O=C(/C=C/c1cncc([O-])c1)N1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000186325928 495950063 /nfs/dbraw/zinc/95/00/63/495950063.db2.gz UAUIEWRXRBTAHP-XMUUHYKESA-N -1 3 362.788 3.193 20 0 FGADHM COCCCOc1ccc(C(=O)N2CC[C@@H](C)c3cccc([O-])c32)cn1 ZINC000186328678 495950691 /nfs/dbraw/zinc/95/06/91/495950691.db2.gz SXWFUYAFCHLZPC-CQSZACIVSA-N -1 3 356.422 3.357 20 0 FGADHM O=S(=O)([N-][C@H]1CCCOCC1)c1ccc(Cl)cc1C(F)(F)F ZINC000183381438 495957238 /nfs/dbraw/zinc/95/72/38/495957238.db2.gz ALNWMADFXCGSCR-JTQLQIEISA-N -1 3 357.781 3.206 20 0 FGADHM O=S(=O)(Cc1ccc(F)cc1F)[N-]Cc1ncc(-c2ccccc2)o1 ZINC000577906178 505815871 /nfs/dbraw/zinc/81/58/71/505815871.db2.gz YCYVQJPNHNMCIL-UHFFFAOYSA-N -1 3 364.373 3.239 20 0 FGADHM COC(=O)c1coc(C(=O)[N-]c2nc(CN3CCC[C@@H](C)C3)cs2)c1 ZINC000183441901 495985298 /nfs/dbraw/zinc/98/52/98/495985298.db2.gz XXIMAJWLUYHWMR-LLVKDONJSA-N -1 3 363.439 3.007 20 0 FGADHM CCC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)cc1 ZINC000171704246 495996727 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Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCCC[C@H](C)C2)c1 ZINC000186467842 496008552 /nfs/dbraw/zinc/00/85/52/496008552.db2.gz RAJPDZJGLCWAMG-LBPRGKRZSA-N -1 3 357.410 3.203 20 0 FGADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N1CCC(c2ccsc2)CC1 ZINC000186511041 496025999 /nfs/dbraw/zinc/02/59/99/496025999.db2.gz UUYKOLDTKMPDKE-UHFFFAOYSA-N -1 3 355.419 3.043 20 0 FGADHM C[C@H]1C[C@@H](C(=O)N2CCN(C(=O)c3cccc([O-])c3)CC2)CC(C)(C)C1 ZINC000183583649 496038847 /nfs/dbraw/zinc/03/88/47/496038847.db2.gz LOCPETQFTUFNCO-DOTOQJQBSA-N -1 3 358.482 3.139 20 0 FGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C2C[C@H](C)C[C@@H](C)C2)cc1OC ZINC000183584055 496039323 /nfs/dbraw/zinc/03/93/23/496039323.db2.gz QLHDLHWIGLPKGK-CHWSQXEVSA-N -1 3 368.499 3.468 20 0 FGADHM CCN1CCC(C[N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)CC1 ZINC000577927446 505819614 /nfs/dbraw/zinc/81/96/14/505819614.db2.gz XGQRSVLNOHZLNB-UHFFFAOYSA-N -1 3 369.289 3.143 20 0 FGADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1cc2c(cccc2Br)[nH]1 ZINC000160857327 496055082 /nfs/dbraw/zinc/05/50/82/496055082.db2.gz WMMOGRHEWCQNTQ-UHFFFAOYSA-N -1 3 374.120 3.320 20 0 FGADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1cc2c(cccc2Br)[nH]1 ZINC000160857327 496055087 /nfs/dbraw/zinc/05/50/87/496055087.db2.gz WMMOGRHEWCQNTQ-UHFFFAOYSA-N -1 3 374.120 3.320 20 0 FGADHM CCCN(CCC)C(=O)C(=O)[N-]c1scc(CC(C)C)c1C(=O)OC ZINC000174681100 496059503 /nfs/dbraw/zinc/05/95/03/496059503.db2.gz LAQJSYRQFSTHNL-UHFFFAOYSA-N -1 3 368.499 3.320 20 0 FGADHM Cc1nn2c(nnc2SCc2ccc(OC(C)C)c(Cl)c2)[n-]c1=O ZINC000186601550 496067261 /nfs/dbraw/zinc/06/72/61/496067261.db2.gz GIEMACPSRYEGJA-UHFFFAOYSA-N -1 3 365.846 3.266 20 0 FGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)CO[C@H]1CCCC[C@H]1CC ZINC000183667607 496070577 /nfs/dbraw/zinc/07/05/77/496070577.db2.gz MOKKYYOHBCFHND-OLZOCXBDSA-N -1 3 352.431 3.338 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-]CCCn1ccc2ccccc21 ZINC000177480122 496077779 /nfs/dbraw/zinc/07/77/79/496077779.db2.gz JBJATKWMRVNFAI-UHFFFAOYSA-N -1 3 350.465 3.080 20 0 FGADHM Cc1noc(C)c1CCC(=O)[N-]OCc1ccc(F)cc1Br ZINC000186650018 496090333 /nfs/dbraw/zinc/09/03/33/496090333.db2.gz VMLYCZXNBDJIDU-UHFFFAOYSA-N -1 3 371.206 3.374 20 0 FGADHM Cc1cc(C[N-]S(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)on1 ZINC000186687533 496108232 /nfs/dbraw/zinc/10/82/32/496108232.db2.gz JYAVPCQDQKKMDF-UHFFFAOYSA-N -1 3 354.737 3.134 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cnn(CC(C)C)c3)c2)n1 ZINC000180713700 496114933 /nfs/dbraw/zinc/11/49/33/496114933.db2.gz XVRROXRQBUSYMB-UHFFFAOYSA-N -1 3 365.437 3.104 20 0 FGADHM O=S(=O)(Cc1ccccc1F)[N-][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000180735255 496123828 /nfs/dbraw/zinc/12/38/28/496123828.db2.gz ROSDHRQHVQWAOG-SJORKVTESA-N -1 3 371.380 3.054 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)c(F)c1 ZINC000180747757 496128833 /nfs/dbraw/zinc/12/88/33/496128833.db2.gz NNNCEDAUPCOPNY-DOTOQJQBSA-N -1 3 371.380 3.221 20 0 FGADHM C[C@H](CC(=O)c1cccs1)[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000152385240 496135160 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COC[C@@H]([N-]S(=O)(=O)c1ccc(-n2cccc2)cc1)c1ccc(C)o1 ZINC000183951730 496174553 /nfs/dbraw/zinc/17/45/53/496174553.db2.gz ZOTJJKDXGXDOMT-QGZVFWFLSA-N -1 3 360.435 3.045 20 0 FGADHM Cc1nc(S(=O)(=O)Cc2nc(-c3ccco3)no2)[n-]c1-c1ccccc1 ZINC000186837873 496176234 /nfs/dbraw/zinc/17/62/34/496176234.db2.gz HNZBSWLGVKNSNT-UHFFFAOYSA-N -1 3 370.390 3.002 20 0 FGADHM Cc1[n-]c(S(=O)(=O)Cc2nc(-c3ccco3)no2)nc1-c1ccccc1 ZINC000186837873 496176242 /nfs/dbraw/zinc/17/62/42/496176242.db2.gz HNZBSWLGVKNSNT-UHFFFAOYSA-N -1 3 370.390 3.002 20 0 FGADHM CN1CCC(N(Cc2ccccc2)C(=O)c2cc(F)c([O-])c(F)c2)CC1 ZINC000186851326 496180140 /nfs/dbraw/zinc/18/01/40/496180140.db2.gz HTFKXJUNFPWBGY-UHFFFAOYSA-N -1 3 360.404 3.407 20 0 FGADHM Cc1nc(S(=O)(=O)CC(=O)Nc2ccccc2C)[n-]c1-c1ccccc1 ZINC000186857072 496183542 /nfs/dbraw/zinc/18/35/42/496183542.db2.gz YWWSAVYKUPCULR-UHFFFAOYSA-N -1 3 369.446 3.106 20 0 FGADHM Cc1[n-]c(S(=O)(=O)CC(=O)Nc2ccccc2C)nc1-c1ccccc1 ZINC000186857072 496183545 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ZINC000153965033 496637328 /nfs/dbraw/zinc/63/73/28/496637328.db2.gz YKNFLXABPWTNOF-APWZRJJASA-N -1 3 353.462 3.410 20 0 FGADHM O=C(CCCSc1ccc(Br)cc1)[N-]OC[C@H]1CCOC1 ZINC000187987361 496641653 /nfs/dbraw/zinc/64/16/53/496641653.db2.gz GQGQVVNQANWXBK-LBPRGKRZSA-N -1 3 374.300 3.406 20 0 FGADHM CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2ccnc(C)c2Cl)c1 ZINC000165281698 496654894 /nfs/dbraw/zinc/65/48/94/496654894.db2.gz BOVJJMBKBLLMMJ-UHFFFAOYSA-N -1 3 372.805 3.160 20 0 FGADHM Cc1cc(C)c2[n-]cc(C(=O)N3CCC(O)(C(F)(F)F)CC3)c(=O)c2c1 ZINC000165386048 496657490 /nfs/dbraw/zinc/65/74/90/496657490.db2.gz DULDBGHQZOGRTI-UHFFFAOYSA-N -1 3 368.355 3.087 20 0 FGADHM O=C(c1cc(-c2ccccc2)ccc1Cl)N1CCc2nc[n-]c(=O)c2C1 ZINC000179054785 496658971 /nfs/dbraw/zinc/65/89/71/496658971.db2.gz YSHLYCOOCPOZKP-UHFFFAOYSA-N -1 3 365.820 3.289 20 0 FGADHM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)c[nH]c1=O ZINC000158255895 496661723 /nfs/dbraw/zinc/66/17/23/496661723.db2.gz HBZCKXHHUATQOG-UHFFFAOYSA-N -1 3 366.748 3.156 20 0 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O=C(NCc1ccc([O-])c(Br)c1)c1cccc2c1CC(=O)CC2 ZINC000572006350 505867744 /nfs/dbraw/zinc/86/77/44/505867744.db2.gz DBPGOWLCYVTBIE-UHFFFAOYSA-N -1 3 374.234 3.143 20 0 FGADHM O=C(c1ccc2c(c1[O-])CCCC2)N1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000277572842 496817189 /nfs/dbraw/zinc/81/71/89/496817189.db2.gz LDQRIRIZLYGQQQ-MLGOLLRUSA-N -1 3 357.372 3.046 20 0 FGADHM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]CC[C@@H]2CCO[C@@H](C)C2)c1 ZINC000273485069 496819417 /nfs/dbraw/zinc/81/94/17/496819417.db2.gz GNAFIFIIZSJKBE-WCQYABFASA-N -1 3 359.875 3.026 20 0 FGADHM COc1ccccc1-c1nc(NC(=O)C[C@H]2C[C@@H](C(C)=O)C2(C)C)n[n-]1 ZINC000273528032 496831765 /nfs/dbraw/zinc/83/17/65/496831765.db2.gz CIJFSONDOVBKML-OCCSQVGLSA-N -1 3 356.426 3.060 20 0 FGADHM COC(=O)COc1ccc(NC(=O)c2cn[n-]c2-c2ccsc2)c(C)c1 ZINC000188579402 496838997 /nfs/dbraw/zinc/83/89/97/496838997.db2.gz LYQHCYYWPNLANF-UHFFFAOYSA-N -1 3 371.418 3.251 20 0 FGADHM COC(=O)COc1ccc(NC(=O)c2c[n-]nc2-c2ccsc2)c(C)c1 ZINC000188579402 496839002 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CCc1cc(=O)[n-]c(-c2ccc(N3CC[C@@H](Oc4ccccc4)C3)nc2)n1 ZINC000362946976 498586309 /nfs/dbraw/zinc/58/63/09/498586309.db2.gz FGDHRMFVXINNSR-GOSISDBHSA-N -1 3 362.433 3.464 20 0 FGADHM CCc1oc(C(=O)[O-])cc1CN(C)[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000569934622 506051197 /nfs/dbraw/zinc/05/11/97/506051197.db2.gz KPSXZWLZBILCRH-ZDUSSCGKSA-N -1 3 354.410 3.314 20 0 FGADHM C[C@@H]1CN(Cc2csc(-c3ccc4c(c3)OCO4)n2)C[C@]1(C)C(=O)[O-] ZINC000569935115 506051390 /nfs/dbraw/zinc/05/13/90/506051390.db2.gz FTXKHPFRRZOLQN-ZMZPIMSZSA-N -1 3 360.435 3.081 20 0 FGADHM C[C@@H]1Cc2ccccc2[C@@H]1[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000332247972 498617781 /nfs/dbraw/zinc/61/77/81/498617781.db2.gz BDQVJMYQVVVSNK-MEBBXXQBSA-N -1 3 356.369 3.312 20 0 FGADHM CCc1ccc([C@H](C[N-]S(=O)(=O)c2ccc(C)cc2F)N(C)C)cc1 ZINC000303242680 498657369 /nfs/dbraw/zinc/65/73/69/498657369.db2.gz KOKMLVZATXCBAH-SFHVURJKSA-N -1 3 364.486 3.278 20 0 FGADHM CCO[C@@H](C(=O)Nc1cc(C)ccc1[N-]S(C)(=O)=O)c1ccccc1 ZINC000298122520 498670749 /nfs/dbraw/zinc/67/07/49/498670749.db2.gz AYAUJUABPMKDBG-QGZVFWFLSA-N -1 3 362.451 3.083 20 0 FGADHM COC1(CNC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)CCCC1 ZINC000576082173 506071603 /nfs/dbraw/zinc/07/16/03/506071603.db2.gz JJVZZVZYWROTLS-UHFFFAOYSA-N -1 3 356.426 3.238 20 0 FGADHM Cc1csc2nc(C)nc(N3CCC[C@@H](C[N-]C(=O)C(F)(F)F)C3)c12 ZINC000290800582 498683978 /nfs/dbraw/zinc/68/39/78/498683978.db2.gz YPUZBDXXSOHHAP-NSHDSACASA-N -1 3 372.416 3.203 20 0 FGADHM C[C@H](CCO)C1(C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CCC1 ZINC000332431752 498686398 /nfs/dbraw/zinc/68/63/98/498686398.db2.gz AYGKPBQCOZEOHS-LLVKDONJSA-N -1 3 366.310 3.461 20 0 FGADHM Cc1cnc(N2CCN(C(=O)c3cc([O-])ccc3C(F)(F)F)CC2)s1 ZINC000332455805 498693159 /nfs/dbraw/zinc/69/31/59/498693159.db2.gz OIADGTPYKMWTER-UHFFFAOYSA-N -1 3 371.384 3.138 20 0 FGADHM CC[C@@H]([N-]C(=O)C(F)F)c1noc(-c2cccc(Br)c2)n1 ZINC000365948797 498707838 /nfs/dbraw/zinc/70/78/38/498707838.db2.gz HPLLBBGNOSKZCO-SECBINFHSA-N -1 3 360.158 3.332 20 0 FGADHM COc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2c3ccccc3O[C@H]2C)c1 ZINC000579034225 506078408 /nfs/dbraw/zinc/07/84/08/506078408.db2.gz YKHMLCRWWHZOCB-MGPLVRAMSA-N -1 3 353.827 3.149 20 0 FGADHM Cc1cnc(C(=O)N(C)[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)c([O-])c1 ZINC000332550530 498723380 /nfs/dbraw/zinc/72/33/80/498723380.db2.gz PFMKQKBPFHNYQV-WMZOPIPTSA-N -1 3 353.466 3.221 20 0 FGADHM Cc1cc(Cl)cc(C(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)c1 ZINC000332554869 498723611 /nfs/dbraw/zinc/72/36/11/498723611.db2.gz SEAYFHHQIBJOSU-UHFFFAOYSA-N -1 3 372.852 3.389 20 0 FGADHM Cc1ccc([C@H]2CN(C(=O)c3c[n-]c4ccccc4c3=O)CCO2)c(C)c1 ZINC000363262778 498734999 /nfs/dbraw/zinc/73/49/99/498734999.db2.gz JLQLPGOLRLSKBZ-HXUWFJFHSA-N -1 3 362.429 3.359 20 0 FGADHM CC[C@@H](c1ccc(Br)cc1)N1CC[C@](COC)(C(=O)[O-])C1 ZINC000315340347 498782353 /nfs/dbraw/zinc/78/23/53/498782353.db2.gz ODMJNIQWTMQPOE-HOCLYGCPSA-N -1 3 356.260 3.323 20 0 FGADHM CCOC(=O)c1cnn(C2CCN(Cc3cccc([O-])c3Cl)CC2)c1 ZINC000294765509 498797778 /nfs/dbraw/zinc/79/77/78/498797778.db2.gz JNQLDIFXGRQKGT-UHFFFAOYSA-N -1 3 363.845 3.256 20 0 FGADHM CS[C@@H](C(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1)c1ccccc1 ZINC000291131926 498808894 /nfs/dbraw/zinc/80/88/94/498808894.db2.gz OGPKDEOCERJZBW-TZMCWYRMSA-N -1 3 374.428 3.008 20 0 FGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@@H]3CCC[C@H](CO)C3)s2)cs1 ZINC000581932607 506094034 /nfs/dbraw/zinc/09/40/34/506094034.db2.gz JWKKBWUIEXMXRB-NWDGAFQWSA-N -1 3 372.537 3.009 20 0 FGADHM CN(C)C(=O)C[C@H]1CN(C([O-])=NOC/C=C/Cl)c2ccc(Cl)cc21 ZINC000291154216 498819645 /nfs/dbraw/zinc/81/96/45/498819645.db2.gz ZDVNYCYPWIDMOK-GQOHGMTASA-N -1 3 372.252 3.116 20 0 FGADHM CN(C)C(=O)C[C@H]1CN(C(=O)[N-]OC/C=C/Cl)c2ccc(Cl)cc21 ZINC000291154216 498819648 /nfs/dbraw/zinc/81/96/48/498819648.db2.gz ZDVNYCYPWIDMOK-GQOHGMTASA-N -1 3 372.252 3.116 20 0 FGADHM CSc1cccc(S(=O)(=O)[N-][C@H](c2nccs2)C(F)(F)F)c1 ZINC000576130966 506084608 /nfs/dbraw/zinc/08/46/08/506084608.db2.gz JGLWESLRVAGXMG-SNVBAGLBSA-N -1 3 368.427 3.447 20 0 FGADHM O=S(=O)([N-][C@H]1CCC[C@H](CO)C1)c1cc(C(F)(F)F)ccc1Cl ZINC000323720153 498823241 /nfs/dbraw/zinc/82/32/41/498823241.db2.gz KQDWCHOAGZBKTA-ONGXEEELSA-N -1 3 371.808 3.188 20 0 FGADHM C[C@H](NC(=O)CN1CCCC[C@@H]1CCC(=O)[O-])c1ccccc1Cl ZINC000324437160 498828396 /nfs/dbraw/zinc/82/83/96/498828396.db2.gz RQLVFSFNYIFYCI-UONOGXRCSA-N -1 3 352.862 3.237 20 0 FGADHM CC1(CS(=O)(=O)[N-]C2(c3noc(C(F)F)n3)CCC2)CCCCC1 ZINC000366224605 498830059 /nfs/dbraw/zinc/83/00/59/498830059.db2.gz RBECAEWXJCZLBV-UHFFFAOYSA-N -1 3 363.430 3.276 20 0 FGADHM COC[C@@]1(C(=O)[O-])CCCN([C@@H](C)c2ccc(Br)cc2)C1 ZINC000573008982 506098215 /nfs/dbraw/zinc/09/82/15/506098215.db2.gz KJNKXLWSQDGXLM-BLLLJJGKSA-N -1 3 356.260 3.323 20 0 FGADHM CC(C)[C@@H]([N-]S(=O)(=O)C[C@@H](C)c1ccccc1)C(=O)OC(C)(C)C ZINC000325585417 498837419 /nfs/dbraw/zinc/83/74/19/498837419.db2.gz DRDWEGALMSOFJQ-GDBMZVCRSA-N -1 3 355.500 3.076 20 0 FGADHM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)Nc2ccccc2CN(C)C)n1 ZINC000570139041 506099514 /nfs/dbraw/zinc/09/95/14/506099514.db2.gz TVPYCRPWMOWEGE-UHFFFAOYSA-N -1 3 368.412 3.339 20 0 FGADHM O=C(NCCNc1ccc2ccccc2n1)c1cc([O-])c2ccccc2c1 ZINC000576198561 506099833 /nfs/dbraw/zinc/09/98/33/506099833.db2.gz VSGIEODLFWWJEV-UHFFFAOYSA-N -1 3 357.413 3.357 20 0 FGADHM Cc1cc(C)c2[n-]cc(C(=O)N3CCCC4(CCOCC4)C3)c(=O)c2c1 ZINC000332962900 498850115 /nfs/dbraw/zinc/85/01/15/498850115.db2.gz NYZAQDRZKGUGNZ-UHFFFAOYSA-N -1 3 354.450 3.178 20 0 FGADHM CC(C)(C)OC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)CCC1CCC1 ZINC000327747080 498862595 /nfs/dbraw/zinc/86/25/95/498862595.db2.gz LMHCLGYWYBWVMO-KRWDZBQOSA-N -1 3 367.511 3.049 20 0 FGADHM CC1(C)Cc2ccc(C(=O)N3CC[C@@]4(C3)OCc3ccccc34)c([O-])c2O1 ZINC000333022670 498872577 /nfs/dbraw/zinc/87/25/77/498872577.db2.gz FNOVSZYVMBRFOJ-QFIPXVFZSA-N -1 3 365.429 3.377 20 0 FGADHM O=S(=O)(CCCOCc1ccccc1)[N-]c1cnn(-c2ccccc2)c1 ZINC000576217388 506104990 /nfs/dbraw/zinc/10/49/90/506104990.db2.gz SRAMVNYXQFOGST-UHFFFAOYSA-N -1 3 371.462 3.221 20 0 FGADHM Cc1csc([C@@H]2CN(C(=O)c3ccc4c(c3[O-])OC(C)(C)C4)CCO2)n1 ZINC000333040962 498878794 /nfs/dbraw/zinc/87/87/94/498878794.db2.gz JMIJBKPTSRUWKA-AWEZNQCLSA-N -1 3 374.462 3.084 20 0 FGADHM COC(=O)c1ccc(C(=O)Nc2cccc(Cl)c2OCC(F)F)[n-]1 ZINC000576179532 506095699 /nfs/dbraw/zinc/09/56/99/506095699.db2.gz PBTGJLPCEXXZIS-UHFFFAOYSA-N -1 3 358.728 3.351 20 0 FGADHM CC(C)COc1ccc(S(=O)(=O)[N-][C@@H](C2CC2)C(F)(F)F)cc1 ZINC000570122967 506095739 /nfs/dbraw/zinc/09/57/39/506095739.db2.gz LTMSGHARMYPITQ-AWEZNQCLSA-N -1 3 351.390 3.341 20 0 FGADHM Cc1cc(C)c2[n-]cc(C(=O)N3CC(C)(C)[C@@H]3c3nccn3C)c(=O)c2c1 ZINC000333071124 498888462 /nfs/dbraw/zinc/88/84/62/498888462.db2.gz KDSYLSJPOMPGPC-SFHVURJKSA-N -1 3 364.449 3.102 20 0 FGADHM O=C(Nc1cccc([C@@H]2CNC(=O)C2)c1)c1ccc2c(c1[O-])CCCC2 ZINC000333078689 498892457 /nfs/dbraw/zinc/89/24/57/498892457.db2.gz QABBFVRBYLERJZ-HNNXBMFYSA-N -1 3 350.418 3.127 20 0 FGADHM O=C(c1cc([O-])ccc1C(F)(F)F)N1CC[C@@](CO)(c2ccccc2)C1 ZINC000291378150 498917438 /nfs/dbraw/zinc/91/74/38/498917438.db2.gz ZGCTVKBGVIKLEC-GOSISDBHSA-N -1 3 365.351 3.187 20 0 FGADHM CC[C@@H](c1n[n-]c(=NC(=O)N(C)C[C@H]2CCCN2C)s1)c1ccccc1 ZINC000570196249 506112786 /nfs/dbraw/zinc/11/27/86/506112786.db2.gz AYVTUDPOOCRIEU-HZPDHXFCSA-N -1 3 373.526 3.060 20 0 FGADHM COc1ccc(CN(C)[C@H](C)c2nc(C)no2)c(Br)c1[O-] ZINC000582013788 506112811 /nfs/dbraw/zinc/11/28/11/506112811.db2.gz XIGAAXWGHPKQSG-MRVPVSSYSA-N -1 3 356.220 3.048 20 0 FGADHM COc1ccc([O-])c(C(=O)N2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)c1 ZINC000288036401 498930436 /nfs/dbraw/zinc/93/04/36/498930436.db2.gz TYUZKLXFOROYBD-QYZOEREBSA-N -1 3 353.418 3.046 20 0 FGADHM C[C@H]1CCCc2nc(S(=O)(=O)[N-][C@@H]3CCSc4ccccc43)cn21 ZINC000333192578 498931022 /nfs/dbraw/zinc/93/10/22/498931022.db2.gz SMHGSWUPXBDTAY-GXTWGEPZSA-N -1 3 363.508 3.296 20 0 FGADHM COCC[C@@H]([N-]S(=O)(=O)C[C@H]1CCCCC1(F)F)c1ccco1 ZINC000295197692 498939448 /nfs/dbraw/zinc/93/94/48/498939448.db2.gz SBCVNFFQSZSQSY-CHWSQXEVSA-N -1 3 351.415 3.102 20 0 FGADHM [O-]C(=NO[C@H]1CCCCO1)Nc1ccc(-c2noc(C(F)F)n2)cc1 ZINC000363704925 498953003 /nfs/dbraw/zinc/95/30/03/498953003.db2.gz VOZZTUAXXSZJRP-NSHDSACASA-N -1 3 354.313 3.254 20 0 FGADHM O=C([N-]O[C@H]1CCCCO1)Nc1ccc(-c2noc(C(F)F)n2)cc1 ZINC000363704925 498953009 /nfs/dbraw/zinc/95/30/09/498953009.db2.gz VOZZTUAXXSZJRP-NSHDSACASA-N -1 3 354.313 3.254 20 0 FGADHM C[C@H]1N(CCOc2ccc(C(=O)[O-])cc2Cl)CCC12CCOCC2 ZINC000570219124 506117577 /nfs/dbraw/zinc/11/75/77/506117577.db2.gz HHRSMCJTSRVFRK-CYBMUJFWSA-N -1 3 353.846 3.308 20 0 FGADHM CC(C)c1ccoc1C(=O)[N-]c1cc(S(=O)(=O)N(C)C)ccc1F ZINC000283796266 498985390 /nfs/dbraw/zinc/98/53/90/498985390.db2.gz AWUXHRKFGIYBQF-UHFFFAOYSA-N -1 3 354.403 3.045 20 0 FGADHM O=c1cc(CN2CCC([C@@H](O)c3ccccc3)CC2)c2ccc([O-])cc2o1 ZINC000299209830 498995386 /nfs/dbraw/zinc/99/53/86/498995386.db2.gz BSWUYDUENNLJJG-QFIPXVFZSA-N -1 3 365.429 3.444 20 0 FGADHM O=S(=O)([N-][C@H]1CCO[C@H](C2CC2)C1)c1ccc(C(F)(F)F)s1 ZINC000291657243 499025436 /nfs/dbraw/zinc/02/54/36/499025436.db2.gz IWTSADGIDOJBIU-UWVGGRQHSA-N -1 3 355.403 3.003 20 0 FGADHM CC(C)(C)c1nnc(C[N-]S(=O)(=O)Cc2cccc(Cl)c2)s1 ZINC000288462798 499031502 /nfs/dbraw/zinc/03/15/02/499031502.db2.gz WCVSNIJPBXGYCI-UHFFFAOYSA-N -1 3 359.904 3.109 20 0 FGADHM C[C@@H](c1ccccc1)N1CCC(NC(=O)c2s[n-]c(=O)c2Cl)CC1 ZINC000367398176 499194547 /nfs/dbraw/zinc/19/45/47/499194547.db2.gz DMBUHSLLRVCLFB-NSHDSACASA-N -1 3 365.886 3.458 20 0 FGADHM O=C(c1ccc2c(c1[O-])CCCC2)N1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000367500928 499206470 /nfs/dbraw/zinc/20/64/70/499206470.db2.gz SFALESHMOHUGLB-CQSZACIVSA-N -1 3 353.422 3.161 20 0 FGADHM Cc1n[n-]c(S(=O)(=O)[C@@H](C)c2nc(C)c(-c3ccc(Cl)cc3)o2)n1 ZINC000367515408 499207927 /nfs/dbraw/zinc/20/79/27/499207927.db2.gz QGRDFGRXABLVDZ-VIFPVBQESA-N -1 3 366.830 3.265 20 0 FGADHM Cc1nnc(S(=O)(=O)[C@@H](C)c2nc(C)c(-c3ccc(Cl)cc3)o2)[n-]1 ZINC000367515408 499207929 /nfs/dbraw/zinc/20/79/29/499207929.db2.gz QGRDFGRXABLVDZ-VIFPVBQESA-N -1 3 366.830 3.265 20 0 FGADHM Cc1cc(Cl)cc(NC(=O)[C@H]2CCS(=O)(=O)c3ccccc32)c1[O-] ZINC000367534834 499209991 /nfs/dbraw/zinc/20/99/91/499209991.db2.gz YQJYSIDEMIQGFR-ZDUSSCGKSA-N -1 3 365.838 3.254 20 0 FGADHM Cc1c(-c2ccncc2)[n-][nH]c1=NC(=O)c1cnn(CC(C)C)c1C1CC1 ZINC000370375497 499214811 /nfs/dbraw/zinc/21/48/11/499214811.db2.gz SCBWNXYNBTXCJQ-UHFFFAOYSA-N -1 3 364.453 3.184 20 0 FGADHM O=C(N[C@H]1C[C@H](CO)c2ccccc21)c1cc([O-])ccc1C(F)(F)F ZINC000370553017 499230867 /nfs/dbraw/zinc/23/08/67/499230867.db2.gz ACRFZMNUVYVNFR-HWPZZCPQSA-N -1 3 351.324 3.362 20 0 FGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H]1c2cccc(F)c2O[C@@H]1C ZINC000370707010 499246643 /nfs/dbraw/zinc/24/66/43/499246643.db2.gz NMFRVQSIHQWFSJ-QMTHXVAHSA-N -1 3 359.401 3.179 20 0 FGADHM Cc1c([O-])ccc2c(CN3CCC(n4cc(Cl)cn4)CC3)cc(=O)oc12 ZINC000368003546 499253980 /nfs/dbraw/zinc/25/39/80/499253980.db2.gz YUYDNQGYYMCZGR-UHFFFAOYSA-N -1 3 373.840 3.494 20 0 FGADHM CCc1cc(C(=O)N2CCC3(C[C@H]3C(=O)N3CCCCC3)CC2)ccc1[O-] ZINC000368275592 499280679 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Cc1cn2c(n1)[C@H](C[N-]S(=O)(=O)c1ccccc1C(F)(F)F)CCC2 ZINC000372132279 499401945 /nfs/dbraw/zinc/40/19/45/499401945.db2.gz QFKXGYAWKPKMIZ-LBPRGKRZSA-N -1 3 373.400 3.066 20 0 FGADHM O=C(NC1CC(N2CCC(C(F)(F)F)CC2)C1)c1ccc([O-])cc1F ZINC000373418614 499468646 /nfs/dbraw/zinc/46/86/46/499468646.db2.gz RJQXHSONKKZVFH-UHFFFAOYSA-N -1 3 360.351 3.066 20 0 FGADHM O=C(c1cc(OCc2ccccc2)ccc1[O-])N1CC([C@@H]2CCOC2)C1 ZINC000373426913 499469261 /nfs/dbraw/zinc/46/92/61/499469261.db2.gz OFCMPEVTXNHQAF-MRXNPFEDSA-N -1 3 353.418 3.080 20 0 FGADHM CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1cc([O-])c2ccccc2c1 ZINC000373461086 499471213 /nfs/dbraw/zinc/47/12/13/499471213.db2.gz PUBPPWZXEULBIL-MOPGFXCFSA-N -1 3 352.434 3.161 20 0 FGADHM O=S(=O)([N-][C@@H]1C[C@@H](CO)c2ccccc21)c1ccccc1C(F)(F)F ZINC000373728687 499485271 /nfs/dbraw/zinc/48/52/71/499485271.db2.gz OYFBKEAGMQXKOY-XHDPSFHLSA-N -1 3 371.380 3.205 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N3CCC[C@H](C[C@H]4CCOC4)C3)c[n-]c12 ZINC000378423691 499515325 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/nfs/dbraw/zinc/73/43/42/499734342.db2.gz MRCIESIXCPSEGD-UHFFFAOYSA-N -1 3 354.406 3.241 20 0 FGADHM O=C(NC[C@@H]1CCCN(Cc2cccnc2)C1)c1cc([O-])ccc1Cl ZINC000377894144 499746129 /nfs/dbraw/zinc/74/61/29/499746129.db2.gz KURSEGXCFDMRCR-HNNXBMFYSA-N -1 3 359.857 3.083 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(N3CC[C@@H](n4cc(Cl)cn4)C3)nc2)n1 ZINC000377973941 499752486 /nfs/dbraw/zinc/75/24/86/499752486.db2.gz CDZFSDBLKPLHAA-OAHLLOKOSA-N -1 3 370.844 3.108 20 0 FGADHM C[C@]1(CO)CCC[C@H]1NCc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000411598513 499767516 /nfs/dbraw/zinc/76/75/16/499767516.db2.gz AJWXSKAQMPTDOT-FZKQIMNGSA-N -1 3 359.451 3.298 20 0 FGADHM O=C(N[C@H](CCc1ccccc1)C(F)(F)F)c1cc(=O)[n-]c(C2CC2)n1 ZINC000579372146 506158803 /nfs/dbraw/zinc/15/88/03/506158803.db2.gz KBDBYZNRXOOCQI-CQSZACIVSA-N -1 3 365.355 3.353 20 0 FGADHM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)s2)ccc1OCCN(C)C ZINC000414385623 499784396 /nfs/dbraw/zinc/78/43/96/499784396.db2.gz FNGVPLNBRRBDSX-UHFFFAOYSA-N -1 3 374.915 3.451 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]c2ccc(OCCN(C)C)c(F)c2)c(C)s1 ZINC000414389263 499785081 /nfs/dbraw/zinc/78/50/81/499785081.db2.gz PVMDMTYBVGKGIV-UHFFFAOYSA-N -1 3 372.487 3.245 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)C)cc2F)c(C)s1 ZINC000414396051 499786340 /nfs/dbraw/zinc/78/63/40/499786340.db2.gz LNYBUOWQLBKGNT-UHFFFAOYSA-N -1 3 356.444 3.007 20 0 FGADHM CCN(CC)Cc1cccc([N-]S(=O)(=O)c2cn(C)c(C(C)C)n2)c1 ZINC000414452221 499794012 /nfs/dbraw/zinc/79/40/12/499794012.db2.gz KMROIGBKYRRCNK-UHFFFAOYSA-N -1 3 364.515 3.186 20 0 FGADHM CCOc1cc(CN[C@@H](C)c2csnn2)cc(Br)c1[O-] ZINC000414544074 499805746 /nfs/dbraw/zinc/80/57/46/499805746.db2.gz CJSYZYJEOOGZDM-QMMMGPOBSA-N -1 3 358.261 3.256 20 0 FGADHM O=C([O-])C1CCC(N[C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)CC1 ZINC000414644148 499816739 /nfs/dbraw/zinc/81/67/39/499816739.db2.gz ZGKJHMWJYBTLCF-OVGLSYRBSA-N -1 3 371.264 3.332 20 0 FGADHM CC(C)Cc1n[n-]c(=NC(=O)N[C@@H](CN)c2ccc3ccccc3c2)s1 ZINC000414698919 499820900 /nfs/dbraw/zinc/82/09/00/499820900.db2.gz DMKPOVQETGDNTO-INIZCTEOSA-N -1 3 369.494 3.133 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@H](C)CC(F)(F)F)c1-c1ccc2c(c1)OCCO2 ZINC000412201858 499833310 /nfs/dbraw/zinc/83/33/10/499833310.db2.gz RSDLHVXUHDJAGT-SECBINFHSA-N -1 3 369.343 3.105 20 0 FGADHM CCc1noc(C)c1C[N-]S(=O)(=O)c1cccc(Br)c1C ZINC000579379637 506161162 /nfs/dbraw/zinc/16/11/62/506161162.db2.gz CMGMFTZBAAAJAR-UHFFFAOYSA-N -1 3 373.272 3.095 20 0 FGADHM COCCC[C@@H](Cc1ccccc1)NC(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000412298246 499842576 /nfs/dbraw/zinc/84/25/76/499842576.db2.gz KUNQQQLANNGIQH-SFHVURJKSA-N -1 3 355.434 3.363 20 0 FGADHM CC(=O)c1ccc(C(=O)N[C@@H](C)[C@@H](c2ccccc2C)N(C)C)cc1[O-] ZINC000412327331 499844975 /nfs/dbraw/zinc/84/49/75/499844975.db2.gz CDOKXXMJESNWMW-XOBRGWDASA-N -1 3 354.450 3.324 20 0 FGADHM CCN=c1[n-]c(C(=O)N2CCC(Cc3cccc(F)c3F)CC2)cs1 ZINC000412399237 499851660 /nfs/dbraw/zinc/85/16/60/499851660.db2.gz IBTHWELVTLSMJR-UHFFFAOYSA-N -1 3 365.449 3.370 20 0 FGADHM O=C(c1cc([O-])ccc1Cl)N1CC[C@]2(C1)CC(=O)c1ccccc1O2 ZINC000412679204 499874984 /nfs/dbraw/zinc/87/49/84/499874984.db2.gz RNUNNNDKQNMDQW-LJQANCHMSA-N -1 3 357.793 3.296 20 0 FGADHM CCCCOc1ccc(C(=O)N2CCC[C@H](N3CCCC3=O)CC2)c([O-])c1 ZINC000412842530 499890162 /nfs/dbraw/zinc/89/01/62/499890162.db2.gz KSFDWQZRHLYLFP-INIZCTEOSA-N -1 3 374.481 3.188 20 0 FGADHM COC(=O)c1c([N-]C(=O)c2c(F)cccc2F)sc2c1CCOC2 ZINC000416088242 499947053 /nfs/dbraw/zinc/94/70/53/499947053.db2.gz ASXCMYSGNULFND-UHFFFAOYSA-N -1 3 353.346 3.138 20 0 FGADHM CC[C@@H](CS(=O)(=O)[N-]c1cc(-c2cncc(F)c2)ccc1C)OC ZINC000421145572 499971457 /nfs/dbraw/zinc/97/14/57/499971457.db2.gz AISIMOWYYGYUNM-INIZCTEOSA-N -1 3 352.431 3.363 20 0 FGADHM CC[C@@H](CS(=O)(=O)[N-]c1ccc(Oc2cccc(F)c2F)nc1)OC ZINC000421146906 499972287 /nfs/dbraw/zinc/97/22/87/499972287.db2.gz CUROCXCLROBICL-LBPRGKRZSA-N -1 3 372.393 3.319 20 0 FGADHM CCOC(=O)c1cnc([N-]C(=O)Nc2ccc(OC(C)(C)C)cc2)n1C ZINC000417103904 499973458 /nfs/dbraw/zinc/97/34/58/499973458.db2.gz NPHCFVMZCNSZIE-UHFFFAOYSA-N -1 3 360.414 3.418 20 0 FGADHM CC[C@@H](CS(=O)(=O)[N-]c1ccc(Sc2ncccn2)cc1C)OC ZINC000421156097 499975088 /nfs/dbraw/zinc/97/50/88/499975088.db2.gz PKAGXTHCTQTSOH-ZDUSSCGKSA-N -1 3 367.496 3.103 20 0 FGADHM COc1cc(C)c([N-]S(=O)(=O)C[C@@H](Cc2ccccc2)OC)cc1F ZINC000421156694 499975141 /nfs/dbraw/zinc/97/51/41/499975141.db2.gz PKYHNODPUVFUPN-OAHLLOKOSA-N -1 3 367.442 3.142 20 0 FGADHM CC(C)c1cc(C(=O)N[C@H](CO)Cc2cccnc2)c([O-])c(C(C)C)c1 ZINC000416217753 499984679 /nfs/dbraw/zinc/98/46/79/499984679.db2.gz SSUWUTDOVFCJEF-KRWDZBQOSA-N -1 3 356.466 3.367 20 0 FGADHM CC[C@@H](C)NC(=O)c1ccc(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)c(C)c1 ZINC000582250183 506168993 /nfs/dbraw/zinc/16/89/93/506168993.db2.gz JXSZGAAWKFVELK-GFCCVEGCSA-N -1 3 368.437 3.149 20 0 FGADHM CC[C@H](CS(=O)(=O)[N-]c1cccnc1Nc1ccc(OC)cc1)OC ZINC000421239313 499999744 /nfs/dbraw/zinc/99/97/44/499999744.db2.gz UCICWWQAYCQFDP-CQSZACIVSA-N -1 3 365.455 3.001 20 0 FGADHM CC[C@H](CS(=O)(=O)[N-]c1cc(Cl)ccc1Br)OC ZINC000421253586 500002712 /nfs/dbraw/zinc/00/27/12/500002712.db2.gz XTVQKEQDOXCKOF-SECBINFHSA-N -1 3 356.669 3.269 20 0 FGADHM CC[C@H](NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)c1ccccc1 ZINC000413651494 500014723 /nfs/dbraw/zinc/01/47/23/500014723.db2.gz GHCYNRASIZVMFV-SFHVURJKSA-N -1 3 367.449 3.011 20 0 FGADHM Cc1cc(=NC(=O)c2cc([O-])ccc2C(F)(F)F)[nH]n1CC(F)(F)F ZINC000416327699 500015883 /nfs/dbraw/zinc/01/58/83/500015883.db2.gz YGJAVTPEKPTBKG-UHFFFAOYSA-N -1 3 367.249 3.152 20 0 FGADHM CC(C)c1nc(S(=O)(=O)[N-][C@H]2CCSc3c(F)cccc32)cn1C ZINC000416366833 500028484 /nfs/dbraw/zinc/02/84/84/500028484.db2.gz DOCOOLTVJACAOH-ZDUSSCGKSA-N -1 3 369.487 3.198 20 0 FGADHM Cc1cc(F)c(S(=O)(=O)[N-][C@@H](c2ccccc2)C(C)(C)CO)cc1F ZINC000429314555 500050319 /nfs/dbraw/zinc/05/03/19/500050319.db2.gz SICKVUSJAYLKBN-KRWDZBQOSA-N -1 3 369.433 3.311 20 0 FGADHM CC(C)c1nc(S(=O)(=O)[N-]Cc2ccc(C(C)(F)F)cc2)cn1C ZINC000416486000 500051281 /nfs/dbraw/zinc/05/12/81/500051281.db2.gz CUPSBLYGZGMFSP-UHFFFAOYSA-N -1 3 357.426 3.134 20 0 FGADHM COc1ccc(C)cc1[C@@H](C)[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000416543553 500059925 /nfs/dbraw/zinc/05/99/25/500059925.db2.gz DCVGGJGKHGHKOX-SNVBAGLBSA-N -1 3 374.256 3.399 20 0 FGADHM COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1C[C@H]1C(C)C ZINC000416549468 500060677 /nfs/dbraw/zinc/06/06/77/500060677.db2.gz OMCNZFQZULDFDY-UONOGXRCSA-N -1 3 361.891 3.078 20 0 FGADHM CO[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)C12CCC2 ZINC000416553084 500061380 /nfs/dbraw/zinc/06/13/80/500061380.db2.gz CIHPWMZLBFWKCN-IUCAKERBSA-N -1 3 355.403 3.003 20 0 FGADHM CCC[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1OCCOC)C1CCC1 ZINC000416554925 500061817 /nfs/dbraw/zinc/06/18/17/500061817.db2.gz GMRYLTMXZVLIKQ-OAHLLOKOSA-N -1 3 359.463 3.098 20 0 FGADHM CCn1ccc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)n1 ZINC000416577154 500065740 /nfs/dbraw/zinc/06/57/40/500065740.db2.gz FDAQXJDRRYDRCQ-UHFFFAOYSA-N -1 3 367.780 3.054 20 0 FGADHM O=S(=O)(Cc1ccccc1Br)[N-][C@@H]1CCCC[C@H]1F ZINC000416584192 500067296 /nfs/dbraw/zinc/06/72/96/500067296.db2.gz CTLQJDMSJWSMQK-CHWSQXEVSA-N -1 3 350.253 3.149 20 0 FGADHM CO[C@@](C)([C@@H](C)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)C1CC1 ZINC000416602678 500070933 /nfs/dbraw/zinc/07/09/33/500070933.db2.gz RUHCMYBHMSJVKG-OTYXRUKQSA-N -1 3 369.380 3.326 20 0 FGADHM CO[C@](C)([C@@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1Cl)C1CC1 ZINC000416605109 500072060 /nfs/dbraw/zinc/07/20/60/500072060.db2.gz VCVCOKIKALBPTJ-YMTOWFKASA-N -1 3 352.283 3.475 20 0 FGADHM C[C@@H](C[N-]S(=O)(=O)c1ccccc1OC(F)(F)F)CC(F)(F)F ZINC000416610211 500072936 /nfs/dbraw/zinc/07/29/36/500072936.db2.gz WKURKMACBDEVKA-MRVPVSSYSA-N -1 3 365.295 3.452 20 0 FGADHM O=S(=O)([N-][C@@H]1C[C@H]1c1ccco1)c1c(F)cccc1OC(F)(F)F ZINC000416667539 500081292 /nfs/dbraw/zinc/08/12/92/500081292.db2.gz VTWOTNUNZGGPMJ-PSASIEDQSA-N -1 3 365.304 3.152 20 0 FGADHM Cc1cccc2c(=O)c(C(=O)N3CCOc4ccc(F)cc4C3)c[n-]c12 ZINC000429527443 500093772 /nfs/dbraw/zinc/09/37/72/500093772.db2.gz GODOBEAGKVICGH-UHFFFAOYSA-N -1 3 352.365 3.010 20 0 FGADHM COc1cccc(OC)c1CNC[C@H](Cc1ccc(Cl)cc1)C(=O)[O-] ZINC000417534629 500099358 /nfs/dbraw/zinc/09/93/58/500099358.db2.gz AGDIYFRCVYLFPX-AWEZNQCLSA-N -1 3 363.841 3.390 20 0 FGADHM COC(=O)c1cc(CN[C@@]2(C(=O)[O-])C[C@@H](C(C)C)c3ccccc32)c[nH]1 ZINC000417562190 500110221 /nfs/dbraw/zinc/11/02/21/500110221.db2.gz BSLRCDAXYGOSQZ-YWZLYKJASA-N -1 3 356.422 3.014 20 0 FGADHM COc1ccc(F)c(CN[C@@H](Cc2ccc(OC(F)F)cc2)C(=O)[O-])c1 ZINC000417566643 500111254 /nfs/dbraw/zinc/11/12/54/500111254.db2.gz REZHNMJKYZVZBJ-INIZCTEOSA-N -1 3 369.339 3.221 20 0 FGADHM CCc1cc(C(=O)N2CC[C@]3(C2)CC(=O)c2ccccc2O3)ccc1[O-] ZINC000413970605 500111946 /nfs/dbraw/zinc/11/19/46/500111946.db2.gz ACTTUGNRAQADFC-OAQYLSRUSA-N -1 3 351.402 3.205 20 0 FGADHM COc1ccc([C@@H](NCc2ccc(OC)c(OC)c2C)C(=O)[O-])cc1F ZINC000417574171 500113537 /nfs/dbraw/zinc/11/35/37/500113537.db2.gz QXNWYVXOLGUDEG-QGZVFWFLSA-N -1 3 363.385 3.075 20 0 FGADHM Cn1[n-]c(=NC(=O)NC2CC(c3cccc(Cl)c3)C2)cc1OC(F)F ZINC000429663844 500120069 /nfs/dbraw/zinc/12/00/69/500120069.db2.gz VTBGPWLNERMYAB-UHFFFAOYSA-N -1 3 370.787 3.165 20 0 FGADHM COc1cc(C(=O)N2CCC[C@H](CCC(=O)OC(C)(C)C)C2)ccc1[O-] ZINC000414019131 500126598 /nfs/dbraw/zinc/12/65/98/500126598.db2.gz PSIQMSWTRZHZNB-CQSZACIVSA-N -1 3 363.454 3.375 20 0 FGADHM CC(C)(C)OC(=O)CC[C@@H](NCc1ccc(F)c2cccnc12)C(=O)[O-] ZINC000417619144 500126849 /nfs/dbraw/zinc/12/68/49/500126849.db2.gz HMNOAXSPAFARHS-OAHLLOKOSA-N -1 3 362.401 3.039 20 0 FGADHM C[C@@H](NCc1cccc(Br)c1OC(F)F)[C@@H](C)C(=O)[O-] ZINC000417618658 500126956 /nfs/dbraw/zinc/12/69/56/500126956.db2.gz YDTSYWKLZHWPJV-HTQZYQBOSA-N -1 3 352.175 3.249 20 0 FGADHM CC(C)(C)OC(=O)CC[C@@H](NCc1cccc2c1OC(C)(C)C2)C(=O)[O-] ZINC000417618792 500127012 /nfs/dbraw/zinc/12/70/12/500127012.db2.gz HFMNMEHBVTYSCE-OAHLLOKOSA-N -1 3 363.454 3.065 20 0 FGADHM COc1cc(Br)ccc1CNC[C@H](CC(=O)[O-])C(F)(F)F ZINC000417624451 500128347 /nfs/dbraw/zinc/12/83/47/500128347.db2.gz KRHNEEFGESWKGJ-VIFPVBQESA-N -1 3 370.165 3.201 20 0 FGADHM CC(C)N(C[C@@H]1CCC(=O)N1)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000414026409 500128939 /nfs/dbraw/zinc/12/89/39/500128939.db2.gz KMKDFDDVIQSHBG-SFHVURJKSA-N -1 3 366.461 3.112 20 0 FGADHM CC[C@@H](CCC(=O)[O-])NCc1ccc(F)cc1I ZINC000417631075 500131309 /nfs/dbraw/zinc/13/13/09/500131309.db2.gz XBVOJBDXEUOVIF-NSHDSACASA-N -1 3 365.186 3.163 20 0 FGADHM CO[C@H](CNCc1ccc(Br)cc1C(F)(F)F)CC(=O)[O-] ZINC000417639070 500133508 /nfs/dbraw/zinc/13/35/08/500133508.db2.gz RFPWYARIXMYOPL-JTQLQIEISA-N -1 3 370.165 3.047 20 0 FGADHM C[C@@H]([C@H](NCc1cn(-c2ccc(Cl)cc2Cl)nn1)C(=O)[O-])C1CC1 ZINC000417642605 500135103 /nfs/dbraw/zinc/13/51/03/500135103.db2.gz WDSWURCFXIZPBI-PSLIRLAXSA-N -1 3 369.252 3.163 20 0 FGADHM Cc1cc(CN[C@@H](CC(=O)OC(C)(C)C)C(=O)[O-])c(OC(F)F)cc1C ZINC000417659080 500140408 /nfs/dbraw/zinc/14/04/08/500140408.db2.gz GZIKLHLGBYZLGM-ZDUSSCGKSA-N -1 3 373.396 3.179 20 0 FGADHM CC(C)(C)OC(=O)C[C@H](NCc1cscc1C(F)(F)F)C(=O)[O-] ZINC000417667290 500143323 /nfs/dbraw/zinc/14/33/23/500143323.db2.gz STNAWCADHLMTQN-JTQLQIEISA-N -1 3 353.362 3.042 20 0 FGADHM O=C([O-])[C@@]1(NCc2cnc([C@H]3CCCO3)s2)CCc2ccccc2C1 ZINC000582290454 506178688 /nfs/dbraw/zinc/17/86/88/506178688.db2.gz RVUIZPGDQSMULT-VQIMIIECSA-N -1 3 358.463 3.097 20 0 FGADHM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)c2c(C)cc(F)cc2C)o1 ZINC000429832845 500152572 /nfs/dbraw/zinc/15/25/72/500152572.db2.gz VOOJLNTWVSVNNZ-OAHLLOKOSA-N -1 3 355.431 3.264 20 0 FGADHM COC1CCC(C[N-]S(=O)(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000429868138 500159544 /nfs/dbraw/zinc/15/95/44/500159544.db2.gz OVKMAQDYUZZIBE-UHFFFAOYSA-N -1 3 352.283 3.477 20 0 FGADHM COC(=O)[C@H]1CCc2sc(NC(=O)c3cc([O-])ccc3Cl)nc2C1 ZINC000421983963 500190581 /nfs/dbraw/zinc/19/05/81/500190581.db2.gz ZCEXKVQDCBAXBV-QMMMGPOBSA-N -1 3 366.826 3.032 20 0 FGADHM COC(=O)c1cc(NC(=O)Cc2ccc([O-])cc2Cl)cc2[nH]ccc21 ZINC000425992508 500222735 /nfs/dbraw/zinc/22/27/35/500222735.db2.gz DVKUVPWPEVXCGX-UHFFFAOYSA-N -1 3 358.781 3.495 20 0 FGADHM Cc1cc(C(=O)NC[C@@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)ccc1[O-] ZINC000430469546 500244425 /nfs/dbraw/zinc/24/44/25/500244425.db2.gz PTQSKIWDQBKWCE-FPOVZHCZSA-N -1 3 357.425 3.343 20 0 FGADHM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1ccn(-c2ccc(F)cc2F)n1 ZINC000579479480 506185104 /nfs/dbraw/zinc/18/51/04/506185104.db2.gz XTRKKYBQRPXJQU-PUECVXPYSA-N -1 3 361.392 3.368 20 0 FGADHM CC(C)OCCNC(=O)c1c[n-]c2ccc(Oc3ccccc3)cc2c1=O ZINC000430570085 500255984 /nfs/dbraw/zinc/25/59/84/500255984.db2.gz IHALXLGHUWPERI-UHFFFAOYSA-N -1 3 366.417 3.475 20 0 FGADHM C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)N(C)CCCC(=O)[O-] ZINC000430667357 500267850 /nfs/dbraw/zinc/26/78/50/500267850.db2.gz VWWVWOIYBMRIJM-INIZCTEOSA-N -1 3 354.450 3.077 20 0 FGADHM C[C@H](CN(C)CC(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1)C(=O)[O-] ZINC000422599437 500280231 /nfs/dbraw/zinc/28/02/31/500280231.db2.gz YOFPFYGKJXSDQJ-KUHUBIRLSA-N -1 3 374.868 3.198 20 0 FGADHM COc1ccc(Cn2cc(C(=O)Nc3ccc(C)cc3[O-])cn2)cc1OC ZINC000426579148 500290747 /nfs/dbraw/zinc/29/07/47/500290747.db2.gz KRXQOJWZRJUGAX-UHFFFAOYSA-N -1 3 367.405 3.215 20 0 FGADHM COc1ccc(CNC[C@@H](Cc2cccc(C)c2)C(=O)[O-])c(OC)c1OC ZINC000426660117 500303340 /nfs/dbraw/zinc/30/33/40/500303340.db2.gz LSPCHFUMJKPNLJ-QGZVFWFLSA-N -1 3 373.449 3.054 20 0 FGADHM O=C([O-])[C@@H](CCCNCc1cccc2c1OCCO2)Cc1ccccc1 ZINC000426675822 500305403 /nfs/dbraw/zinc/30/54/03/500305403.db2.gz WKCLMERKUUPZHN-KRWDZBQOSA-N -1 3 355.434 3.271 20 0 FGADHM Cc1ccc([C@@H](NCc2cnn(Cc3ccc(F)cc3)c2)C(=O)[O-])cc1 ZINC000426678528 500305930 /nfs/dbraw/zinc/30/59/30/500305930.db2.gz QLKLZCFVZLOVKD-LJQANCHMSA-N -1 3 353.397 3.294 20 0 FGADHM COc1ccc([C@@H](CCC(=O)[O-])NCc2ccc(OC)cc2OC)cc1 ZINC000426725387 500311469 /nfs/dbraw/zinc/31/14/69/500311469.db2.gz BQGVUCOBPGTIOE-GOSISDBHSA-N -1 3 359.422 3.408 20 0 FGADHM Cc1ncccc1CN[C@@H](CSCc1cccc2cccnc21)C(=O)[O-] ZINC000426725437 500311711 /nfs/dbraw/zinc/31/17/11/500311711.db2.gz BZINQYNCABPMIC-SFHVURJKSA-N -1 3 367.474 3.414 20 0 FGADHM COc1ccc(CN[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)cc1OC ZINC000426750037 500315366 /nfs/dbraw/zinc/31/53/66/500315366.db2.gz KKHQIFBRGVDIAK-INIZCTEOSA-N -1 3 353.777 3.412 20 0 FGADHM Cn1c(CN[C@H]2CCC[C@]2(C)C(=O)[O-])nc2cc(C(F)(F)F)ccc21 ZINC000426754248 500315804 /nfs/dbraw/zinc/31/58/04/500315804.db2.gz OVESJEZOQVSKIH-BBRMVZONSA-N -1 3 355.360 3.325 20 0 FGADHM CCCSC[C@@H](NCc1cc(Br)ccc1OC)C(=O)[O-] ZINC000426767950 500317411 /nfs/dbraw/zinc/31/74/11/500317411.db2.gz SHWUMFRATDLGSD-GFCCVEGCSA-N -1 3 362.289 3.144 20 0 FGADHM Cc1cc(C(F)(F)F)ccc1CN[C@H](CC(=O)OC(C)(C)C)C(=O)[O-] ZINC000426771799 500318428 /nfs/dbraw/zinc/31/84/28/500318428.db2.gz ASZORKTWQLBAQZ-CYBMUJFWSA-N -1 3 361.360 3.288 20 0 FGADHM O=C(Nc1ccc2c(c1)C(=O)NC2)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000426879244 500332548 /nfs/dbraw/zinc/33/25/48/500332548.db2.gz PZAZCYNJGMHSJT-UHFFFAOYSA-N -1 3 372.380 3.119 20 0 FGADHM COC(=O)c1cccc(NCc2nc(C(F)(F)F)cc(=O)[n-]2)c1Cl 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Cc1nc2ccc(C(=O)Nc3ccccc3[N-]S(C)(=O)=O)cc2s1 ZINC000431371012 500369160 /nfs/dbraw/zinc/36/91/60/500369160.db2.gz RERDDKJKXPFLOZ-UHFFFAOYSA-N -1 3 361.448 3.229 20 0 FGADHM C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)CNC(=O)c1cccc([O-])c1 ZINC000427249675 500373386 /nfs/dbraw/zinc/37/33/86/500373386.db2.gz NWXDGUFXQLDSED-UONOGXRCSA-N -1 3 374.868 3.426 20 0 FGADHM COc1ccc(NC(=O)[C@@H](C)SCc2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC000419599457 500383406 /nfs/dbraw/zinc/38/34/06/500383406.db2.gz FHMMKKJKIVISCJ-LLVKDONJSA-N -1 3 359.451 3.329 20 0 FGADHM C[C@H](SCc1cc(=O)[n-]c(C2CC2)n1)C(=O)NCCc1ccccc1 ZINC000419599839 500383441 /nfs/dbraw/zinc/38/34/41/500383441.db2.gz GGUFMUGFNDCBFG-ZDUSSCGKSA-N -1 3 357.479 3.040 20 0 FGADHM COc1ccc(C)cc1NC(=O)CSCc1cc(=O)[n-]c(C2CC2)n1 ZINC000419603503 500383904 /nfs/dbraw/zinc/38/39/04/500383904.db2.gz MMGDGPPMNWRPPK-UHFFFAOYSA-N -1 3 359.451 3.249 20 0 FGADHM CCOc1ccccc1NC(=O)CSCc1cc(=O)[n-]c(C2CC2)n1 ZINC000419608186 500384319 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FGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccc(Cl)cc2)s1 ZINC000435606001 501001055 /nfs/dbraw/zinc/00/10/55/501001055.db2.gz VBAJHFLGDGKIFZ-NWDGAFQWSA-N -1 3 371.867 3.023 20 0 FGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@@H]2C[C@@H](OC)C2(C)C)cc1Cl ZINC000440380015 501001524 /nfs/dbraw/zinc/00/15/24/501001524.db2.gz JAOZFCLPQIQUNC-CHWSQXEVSA-N -1 3 368.282 3.094 20 0 FGADHM CCS(=O)(=O)c1ccc(-c2noc(-c3cc(C)cc(OC)c3[O-])n2)cc1 ZINC000445605669 501009289 /nfs/dbraw/zinc/00/92/89/501009289.db2.gz VYVNOPNINSMTOH-UHFFFAOYSA-N -1 3 374.418 3.220 20 0 FGADHM COc1cc(C)c([N-]S(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1C ZINC000435729293 501018727 /nfs/dbraw/zinc/01/87/27/501018727.db2.gz CEBDUIYCIHSTHJ-UHFFFAOYSA-N -1 3 374.462 3.240 20 0 FGADHM CCN(C(=O)Cc1noc(-c2cccc(OC)c2[O-])n1)c1ccccc1 ZINC000445692960 501020565 /nfs/dbraw/zinc/02/05/65/501020565.db2.gz XGSDNROBWISAED-UHFFFAOYSA-N -1 3 353.378 3.046 20 0 FGADHM CCC[C@H](CCc1ccccc1)NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000440582294 501025455 /nfs/dbraw/zinc/02/54/55/501025455.db2.gz HBMIICHOQVQPAM-OAHLLOKOSA-N -1 3 365.433 3.493 20 0 FGADHM [O-]c1ccc(Cc2nc(Cc3nncn3-c3ccccc3)no2)c(Cl)c1 ZINC000446001652 501061277 /nfs/dbraw/zinc/06/12/77/501061277.db2.gz BEOWTTZSAVSQKI-UHFFFAOYSA-N -1 3 367.796 3.191 20 0 FGADHM Cn1nc2c(c1NC(=O)c1ccc(C(=O)c3cccc([O-])c3)cc1)CCC2 ZINC000436149125 501078085 /nfs/dbraw/zinc/07/80/85/501078085.db2.gz CJFIWCFRWDZIDC-UHFFFAOYSA-N -1 3 361.401 3.098 20 0 FGADHM COc1cc(-n2c([O-])c(CC(F)(F)F)[nH]c2=O)cc(OC)c1C(C)C ZINC000446164950 501084733 /nfs/dbraw/zinc/08/47/33/501084733.db2.gz ANFRBXBHXSREJK-JTQLQIEISA-N -1 3 360.332 3.204 20 0 FGADHM CC(=O)[C@@H](Cc1ccc(F)cc1F)Sc1n[n-]c(-c2ccccn2)n1 ZINC000436199516 501088473 /nfs/dbraw/zinc/08/84/73/501088473.db2.gz UDVPXBWZCZWKJG-OAHLLOKOSA-N -1 3 360.389 3.437 20 0 FGADHM CCn1nc(C)c(CC(=O)N=c2cc(-c3cc(C)cc(C)c3)[n-][nH]2)c1C ZINC000449835904 501102079 /nfs/dbraw/zinc/10/20/79/501102079.db2.gz QWGWZYMQIKJJFM-UHFFFAOYSA-N -1 3 351.454 3.130 20 0 FGADHM CCOc1nc2ccc(C(=O)Nc3ccc(OC)c(OC)c3OC)cc2[n-]1 ZINC000449843033 501104305 /nfs/dbraw/zinc/10/43/05/501104305.db2.gz OWXNXWXUQJJPNK-UHFFFAOYSA-N -1 3 371.393 3.240 20 0 FGADHM CCOc1nc2cc(C(=O)Nc3ccc(OC)c(OC)c3OC)ccc2[n-]1 ZINC000449843033 501104306 /nfs/dbraw/zinc/10/43/06/501104306.db2.gz OWXNXWXUQJJPNK-UHFFFAOYSA-N -1 3 371.393 3.240 20 0 FGADHM Cc1cc(F)cc(-n2cc(C(=O)[N-]c3nnc(C(C)(C)C)s3)nn2)c1 ZINC000436430116 501126157 /nfs/dbraw/zinc/12/61/57/501126157.db2.gz MTJHAGLPOROTIT-UHFFFAOYSA-N -1 3 360.418 3.116 20 0 FGADHM CCOC(=O)c1ccsc1[N-]C(=O)C(=O)N1CCCC12CCCCC2 ZINC000441385700 501131149 /nfs/dbraw/zinc/13/11/49/501131149.db2.gz NZLYKVMJCRCASU-UHFFFAOYSA-N -1 3 364.467 3.189 20 0 FGADHM CCc1cccc(S(=O)(=O)[N-]c2cc(C(N)=O)c(Cl)cc2Cl)c1 ZINC000436479932 501135549 /nfs/dbraw/zinc/13/55/49/501135549.db2.gz WIFDPRLRKYOJHX-UHFFFAOYSA-N -1 3 373.261 3.456 20 0 FGADHM COc1cccc(C(=O)Nc2ccc(O[C@@H]3CCCC[C@H]3O)cc2)c1[O-] ZINC000436488155 501137240 /nfs/dbraw/zinc/13/72/40/501137240.db2.gz DDQBZOYQJOAABP-IAGOWNOFSA-N -1 3 357.406 3.335 20 0 FGADHM CCOc1cc2c(cc1[C@@H]1C[C@@H]1NC(=O)c1ccccc1[O-])O[C@@H](C)C2 ZINC000436494949 501139432 /nfs/dbraw/zinc/13/94/32/501139432.db2.gz MTXDYHYYUKUMAD-NUTKFTJISA-N -1 3 353.418 3.400 20 0 FGADHM O=C(N[C@@H]1CCOc2c(Br)cccc21)c1c([O-])cccc1O ZINC000436513835 501144863 /nfs/dbraw/zinc/14/48/63/501144863.db2.gz MZCWBGMUZMODPO-LLVKDONJSA-N -1 3 364.195 3.114 20 0 FGADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2F)cc1F ZINC000446635770 501145743 /nfs/dbraw/zinc/14/57/43/501145743.db2.gz YGRVSFIINIGXSZ-UHFFFAOYSA-N -1 3 361.753 3.206 20 0 FGADHM CCC1(CNC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])CCCCC1 ZINC000436525176 501148045 /nfs/dbraw/zinc/14/80/45/501148045.db2.gz DTYMMRPOAJUSRZ-KRWDZBQOSA-N -1 3 358.482 3.474 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N2Cc3ccccc3C(C)(C)C2)c([O-])c1 ZINC000436529056 501149096 /nfs/dbraw/zinc/14/90/96/501149096.db2.gz ZGMYPOHTANZMTA-UHFFFAOYSA-N -1 3 366.461 3.141 20 0 FGADHM COC(=O)c1csc(-c2cccc(CNC(=O)c3ccccc3[O-])c2)n1 ZINC000436534090 501150241 /nfs/dbraw/zinc/15/02/41/501150241.db2.gz KNZMUARXWKTSCO-UHFFFAOYSA-N -1 3 368.414 3.232 20 0 FGADHM O=C(Nc1ccnc(N2CCc3ccccc3C2)c1)c1ccc(O)cc1[O-] ZINC000436533554 501150459 /nfs/dbraw/zinc/15/04/59/501150459.db2.gz ZUTDYYAWBUKVEN-UHFFFAOYSA-N -1 3 361.401 3.308 20 0 FGADHM Cc1cccc(C(=O)N(C)[C@H](c2cnn(C)c2)c2cccc(F)c2)c1[O-] ZINC000436542483 501151368 /nfs/dbraw/zinc/15/13/68/501151368.db2.gz GXQZMKZUVVJWKO-SFHVURJKSA-N -1 3 353.397 3.435 20 0 FGADHM CC[C@H](C[N-]S(=O)(=O)c1c(C)noc1C)Oc1cccc(Cl)c1 ZINC000441532403 501152255 /nfs/dbraw/zinc/15/22/55/501152255.db2.gz FBSMILSAVIFRED-CYBMUJFWSA-N -1 3 358.847 3.081 20 0 FGADHM COC(=O)[C@H]1CCCCN1C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436550103 501154229 /nfs/dbraw/zinc/15/42/29/501154229.db2.gz HZFIBWOFEPAJTO-QGZVFWFLSA-N -1 3 355.390 3.352 20 0 FGADHM CCCc1ccc([C@@H](C)N(CC(N)=O)C(=O)c2cc(OC)ccc2[O-])cc1 ZINC000436548567 501154490 /nfs/dbraw/zinc/15/44/90/501154490.db2.gz NEEIGFRMSNPULO-CQSZACIVSA-N -1 3 370.449 3.042 20 0 FGADHM CC(=O)NC1CCC(N(C)C(=O)CCc2ccc3ccccc3c2[O-])CC1 ZINC000450561893 501155652 /nfs/dbraw/zinc/15/56/52/501155652.db2.gz JDRRSQRQTUVSTG-UHFFFAOYSA-N -1 3 368.477 3.384 20 0 FGADHM Cc1ccc(-c2nc(CCn3cnc4ccccc4c3=O)no2)c([O-])c1C ZINC000436560799 501156980 /nfs/dbraw/zinc/15/69/80/501156980.db2.gz FPOUTMGFTGNLRI-UHFFFAOYSA-N -1 3 362.389 3.012 20 0 FGADHM CC(=O)c1ccc(C(=O)N2CCC(OCc3ccccc3)CC2)cc1[O-] ZINC000436568176 501158900 /nfs/dbraw/zinc/15/89/00/501158900.db2.gz WDQVTEIISAKYTR-UHFFFAOYSA-N -1 3 353.418 3.416 20 0 FGADHM COC(=O)c1c(CC(C)C)csc1[N-]C(=O)C(=O)N1CCCC[C@H]1C ZINC000441651360 501161513 /nfs/dbraw/zinc/16/15/13/501161513.db2.gz XLCORPWFZHPJKZ-GFCCVEGCSA-N -1 3 366.483 3.073 20 0 FGADHM CC(C)c1ccc(C(=O)N2CCN(Cc3cccc(F)c3)C(=O)C2)c([O-])c1 ZINC000436592589 501164654 /nfs/dbraw/zinc/16/46/54/501164654.db2.gz WQZKBODNYFYJPD-UHFFFAOYSA-N -1 3 370.424 3.139 20 0 FGADHM Cc1cc(NC(=O)c2cc(Oc3ccccc3)ccc2[O-])c(=O)n(C)c1 ZINC000436597636 501166802 /nfs/dbraw/zinc/16/68/02/501166802.db2.gz WECUEYSFZVQRDO-UHFFFAOYSA-N -1 3 350.374 3.444 20 0 FGADHM CCc1cc(C(=O)NCc2cccc(C(=O)N[C@@H](C)CC)c2)ccc1[O-] ZINC000436597973 501166945 /nfs/dbraw/zinc/16/69/45/501166945.db2.gz XUGKQZVBNZHIKN-AWEZNQCLSA-N -1 3 354.450 3.413 20 0 FGADHM COc1ccc(OC)c(CN(CCO)C(=O)c2ccc(C(C)C)cc2[O-])c1 ZINC000436610563 501168885 /nfs/dbraw/zinc/16/88/85/501168885.db2.gz XLYPQORXJOBWEQ-UHFFFAOYSA-N -1 3 373.449 3.168 20 0 FGADHM O=C(N[C@H](CCO)C1CCOCC1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436619469 501170575 /nfs/dbraw/zinc/17/05/75/501170575.db2.gz WTYZAXVSPJLEQE-LJQANCHMSA-N -1 3 371.433 3.092 20 0 FGADHM COCCn1cc(NC(=O)c2cc(CCc3ccccc3)ccc2[O-])cn1 ZINC000436622822 501171982 /nfs/dbraw/zinc/17/19/82/501171982.db2.gz YBLIZSFFOFTHJF-UHFFFAOYSA-N -1 3 365.433 3.273 20 0 FGADHM CN(CC(=O)OC(C)(C)C)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436624617 501172086 /nfs/dbraw/zinc/17/20/86/501172086.db2.gz MCMXFKJHWXWRJW-UHFFFAOYSA-N -1 3 355.434 3.397 20 0 FGADHM Cc1cc([C@@H](C)NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])ccc1F ZINC000436628472 501173013 /nfs/dbraw/zinc/17/30/13/501173013.db2.gz ZBHADRJMOMBSGD-RDTXWAMCSA-N -1 3 370.424 3.322 20 0 FGADHM CCCCCN(CC(N)=O)C(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436631399 501173503 /nfs/dbraw/zinc/17/35/03/501173503.db2.gz UMEZEUDSFVYQFL-UHFFFAOYSA-N -1 3 370.449 3.089 20 0 FGADHM CCc1cccc2c1OCC[C@@H]2NC(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000436630204 501174073 /nfs/dbraw/zinc/17/40/73/501174073.db2.gz MNHJGMROFWZKNI-KRWDZBQOSA-N -1 3 354.406 3.167 20 0 FGADHM CO[C@@H](CN1CCN(C(=O)c2ccc([O-])cc2)CC1)c1ccc(Cl)cc1 ZINC000436672357 501184841 /nfs/dbraw/zinc/18/48/41/501184841.db2.gz NIDFCCSASUTZBB-IBGZPJMESA-N -1 3 374.868 3.191 20 0 FGADHM CC(C)c1ccccc1S(=O)(=O)[N-][C@H](c1cnn(C)c1)C(F)(F)F ZINC000446945264 501184814 /nfs/dbraw/zinc/18/48/14/501184814.db2.gz ZKYSQBMZKOUYBY-CQSZACIVSA-N -1 3 361.389 3.125 20 0 FGADHM Cc1ccc(CCC(=O)NCCCNC(=O)c2cccc([O-])c2)cc1Cl ZINC000588218556 506239410 /nfs/dbraw/zinc/23/94/10/506239410.db2.gz QKMJWBRSILOAJK-UHFFFAOYSA-N -1 3 374.868 3.223 20 0 FGADHM CCCCc1ccc(CC(=O)NCCCNC(=O)c2cccc([O-])c2)cc1 ZINC000588218765 506239432 /nfs/dbraw/zinc/23/94/32/506239432.db2.gz CRFWKPOKCCHMQI-UHFFFAOYSA-N -1 3 368.477 3.214 20 0 FGADHM Cc1ccccc1-c1cc(=NC(=O)C(=O)Nc2ccccc2Cl)[nH][n-]1 ZINC000436693602 501189610 /nfs/dbraw/zinc/18/96/10/501189610.db2.gz VMGMKZXAUTYZOM-UHFFFAOYSA-N -1 3 354.797 3.038 20 0 FGADHM Cc1ccc(C(=O)NCCc2nc(-c3cccc4[nH]ccc43)no2)c([O-])c1 ZINC000436690781 501189809 /nfs/dbraw/zinc/18/98/09/501189809.db2.gz QZQYRUFKMGIPKK-UHFFFAOYSA-N -1 3 362.389 3.204 20 0 FGADHM CCOc1cccc([C@@H]2C[C@@H]2NC(=O)c2cc(NC(C)=O)ccc2[O-])c1 ZINC000436695317 501190647 /nfs/dbraw/zinc/19/06/47/501190647.db2.gz DDEPTMAOFVVFPS-WMZOPIPTSA-N -1 3 354.406 3.035 20 0 FGADHM O=C(NCCCN(C(=O)C1CCC1)C1CC1)c1cc2c(cc1[O-])CCCC2 ZINC000436699296 501191458 /nfs/dbraw/zinc/19/14/58/501191458.db2.gz TXODFAVSEWPBTO-UHFFFAOYSA-N -1 3 370.493 3.182 20 0 FGADHM CC(C)c1ccc(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)c([O-])c1 ZINC000436705267 501192095 /nfs/dbraw/zinc/19/20/95/501192095.db2.gz RKSUXWBGZFPFBP-LJQANCHMSA-N -1 3 368.477 3.146 20 0 FGADHM Cc1ccc(C(=O)N[C@@H](CCO)c2ccccc2Br)c([O-])c1 ZINC000436720406 501196653 /nfs/dbraw/zinc/19/66/53/501196653.db2.gz JMRXHENXNUVUOQ-HNNXBMFYSA-N -1 3 364.239 3.317 20 0 FGADHM CN(C)C[C@@H](NC(=O)c1cc(F)c([O-])c(F)c1)c1ccc(Cl)cc1 ZINC000436723570 501196938 /nfs/dbraw/zinc/19/69/38/501196938.db2.gz OCZFBYUBIFEAPV-OAHLLOKOSA-N -1 3 354.784 3.357 20 0 FGADHM CNC(=O)c1cnc(/C=C/c2cc(OC)c([O-])cc2Br)s1 ZINC000436721590 501197357 /nfs/dbraw/zinc/19/73/57/501197357.db2.gz IZOLHQWOJNFJEL-ONEGZZNKSA-N -1 3 369.240 3.150 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@H]3CCO[C@H](C(C)C)C3)nc2)n1 ZINC000450737676 501197564 /nfs/dbraw/zinc/19/75/64/501197564.db2.gz LVJMJYWHNOUODS-YOEHRIQHSA-N -1 3 356.470 3.092 20 0 FGADHM CS[C@@H]1CN(C(=O)c2cc(Cl)c3ccccc3c2[O-])C[C@@H]1N(C)C ZINC000436729493 501199161 /nfs/dbraw/zinc/19/91/61/501199161.db2.gz BCNOMQCTAALRMY-JKSUJKDBSA-N -1 3 364.898 3.316 20 0 FGADHM Cc1nnsc1CNC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436732406 501199632 /nfs/dbraw/zinc/19/96/32/501199632.db2.gz QGSIPABLPRSUAP-UHFFFAOYSA-N -1 3 353.447 3.267 20 0 FGADHM C[C@H](c1ccc2c(c1)CCC2)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436732331 501199712 /nfs/dbraw/zinc/19/97/12/501199712.db2.gz COQMJBBSGPWDJM-MRXNPFEDSA-N -1 3 350.462 3.400 20 0 FGADHM CC(C)OC(=O)CCNC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436754671 501204875 /nfs/dbraw/zinc/20/48/75/501204875.db2.gz JODYUBFQDQAIJE-UHFFFAOYSA-N -1 3 357.406 3.043 20 0 FGADHM Cc1ccc(C(=O)N2CSC[C@H]2C(=O)Nc2ccccc2)c([O-])c1C ZINC000436759600 501206784 /nfs/dbraw/zinc/20/67/84/501206784.db2.gz CGCMRAOZEMUKIM-INIZCTEOSA-N -1 3 356.447 3.163 20 0 FGADHM C[C@H](CNC(=O)c1cc(Br)ccc1[O-])N1CCC[C@H](C)C1 ZINC000436764046 501207671 /nfs/dbraw/zinc/20/76/71/501207671.db2.gz JNFDEDRZDXDAIM-NWDGAFQWSA-N -1 3 355.276 3.005 20 0 FGADHM COc1ccc([C@@H]2CCCN2C(=O)c2cccc(OC)c2[O-])c(OC)c1 ZINC000436775219 501209406 /nfs/dbraw/zinc/20/94/06/501209406.db2.gz DQLRWYUXIRIZEG-INIZCTEOSA-N -1 3 357.406 3.395 20 0 FGADHM CC[C@H](NC(=O)c1cc(NC(C)=O)ccc1[O-])c1ccc2c(c1)OCCO2 ZINC000436783394 501210643 /nfs/dbraw/zinc/21/06/43/501210643.db2.gz RRWJKAGVGTYFIH-INIZCTEOSA-N -1 3 370.405 3.003 20 0 FGADHM COc1cc(-c2noc([C@@H]3CCN(c4ccc(F)cc4)C3=O)n2)ccc1[O-] ZINC000436783173 501210836 /nfs/dbraw/zinc/21/08/36/501210836.db2.gz FUYSZOPJYLWNSX-AWEZNQCLSA-N -1 3 369.352 3.110 20 0 FGADHM COc1cc(-c2noc(-c3cc(OC)c(OC)c(OC)c3)n2)ccc1[O-] ZINC000436783588 501210873 /nfs/dbraw/zinc/21/08/73/501210873.db2.gz HTRGNJJJSTWVJG-UHFFFAOYSA-N -1 3 358.350 3.144 20 0 FGADHM CCc1ccc(C(=O)N2CCN([C@@H](C)c3cccc(OC)c3)CC2)c([O-])c1 ZINC000436823181 501217083 /nfs/dbraw/zinc/21/70/83/501217083.db2.gz SNYWNFFEJIRENR-INIZCTEOSA-N -1 3 368.477 3.482 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)Nc2cc(Cl)cc(C)c2O)c([O-])c1 ZINC000436827522 501217438 /nfs/dbraw/zinc/21/74/38/501217438.db2.gz SSZMWBCVJWTALL-UHFFFAOYSA-N -1 3 362.813 3.127 20 0 FGADHM CCOc1nc2cc(C(=O)N[C@@H](C)c3ccc([S@@](C)=O)cc3)ccc2[n-]1 ZINC000450245954 501218315 /nfs/dbraw/zinc/21/83/15/501218315.db2.gz SNERVSFUGHNGPE-GWQKEKGPSA-N -1 3 371.462 3.190 20 0 FGADHM CCOc1nc2ccc(C(=O)N[C@@H](C)c3ccc([S@@](C)=O)cc3)cc2[n-]1 ZINC000450245954 501218317 /nfs/dbraw/zinc/21/83/17/501218317.db2.gz SNERVSFUGHNGPE-GWQKEKGPSA-N -1 3 371.462 3.190 20 0 FGADHM O=C(c1ccccc1[O-])N1CCN(CCCc2ccc(Cl)cc2)CC1 ZINC000436848423 501220424 /nfs/dbraw/zinc/22/04/24/501220424.db2.gz VRUVNJCBPWGUNO-UHFFFAOYSA-N -1 3 358.869 3.436 20 0 FGADHM COc1cccc(C(=O)N2C[C@@H](C)N(Cc3ccccc3)C[C@@H]2C)c1[O-] ZINC000436863073 501223351 /nfs/dbraw/zinc/22/33/51/501223351.db2.gz RPMLESGPHUYBOR-CVEARBPZSA-N -1 3 354.450 3.136 20 0 FGADHM CCCOc1ccc2c(c1)CCN(C(=O)c1cc(OC)c([O-])c(OC)c1)C2 ZINC000436886827 501227125 /nfs/dbraw/zinc/22/71/25/501227125.db2.gz UJZWSJBGUUZTPT-UHFFFAOYSA-N -1 3 371.433 3.397 20 0 FGADHM COc1cccc([C@H]2[C@@H](NC(=O)c3cc(F)ccc3[O-])CCN2C2CC2)c1 ZINC000436884927 501227152 /nfs/dbraw/zinc/22/71/52/501227152.db2.gz BJCLCJAKRRUBQH-ICSRJNTNSA-N -1 3 370.424 3.248 20 0 FGADHM COc1cccc([C@H]2[C@H](NC(=O)c3ccc(F)cc3[O-])CCN2C2CC2)c1 ZINC000436890832 501228106 /nfs/dbraw/zinc/22/81/06/501228106.db2.gz VJSTVKGLJUFGKN-QUCCMNQESA-N -1 3 370.424 3.248 20 0 FGADHM O=c1[n-]nc(C2CCN(Cc3ccccc3Oc3cccnc3)CC2)o1 ZINC000450914443 501228776 /nfs/dbraw/zinc/22/87/76/501228776.db2.gz MGPTVWMOXRIWFE-UHFFFAOYSA-N -1 3 352.394 3.342 20 0 FGADHM COc1ccc([O-])c(-c2nc(-c3ccccc3NC(=O)C3CC3)no2)c1 ZINC000436900011 501229753 /nfs/dbraw/zinc/22/97/53/501229753.db2.gz AQTFRDPMIOPRRP-UHFFFAOYSA-N -1 3 351.362 3.466 20 0 FGADHM C/C=C\C[C@H](NC(=O)CCc1ccc2ccccc2c1[O-])C(=O)OCC ZINC000450919654 501230067 /nfs/dbraw/zinc/23/00/67/501230067.db2.gz ZDHGBNVDMDOCKF-AJNOYIKESA-N -1 3 355.434 3.492 20 0 FGADHM COc1ccc([C@H](NC(=O)c2ccc(OC)cc2[O-])C(F)(F)F)cc1 ZINC000436905183 501230210 /nfs/dbraw/zinc/23/02/10/501230210.db2.gz ZUQBPKZOBCRAPG-HNNXBMFYSA-N -1 3 355.312 3.443 20 0 FGADHM Cc1ccc(C(=O)N[C@H]2CCCN([C@H](C)c3ccccc3F)C2=O)c([O-])c1 ZINC000436904313 501230279 /nfs/dbraw/zinc/23/02/79/501230279.db2.gz YOPMUUYUBUBUDL-KDOFPFPSSA-N -1 3 370.424 3.322 20 0 FGADHM Cc1ccc([O-])c(C(=O)N[C@H]2CCCN([C@@H](C)c3ccccc3F)C2=O)c1 ZINC000436907368 501230673 /nfs/dbraw/zinc/23/06/73/501230673.db2.gz YEOBVBXPOKJJBA-KSSFIOAISA-N -1 3 370.424 3.322 20 0 FGADHM Cc1ccc(Br)cc1CN1CCC(c2n[n-]c(=O)o2)CC1 ZINC000450928017 501231078 /nfs/dbraw/zinc/23/10/78/501231078.db2.gz QMJCMLAHJJCJRG-UHFFFAOYSA-N -1 3 352.232 3.226 20 0 FGADHM CCCN(CCN1CCN(CC)CC1)C(=O)c1cc2ccccc2cc1[O-] ZINC000436924502 501233790 /nfs/dbraw/zinc/23/37/90/501233790.db2.gz FYNLRDMBYPIHFP-UHFFFAOYSA-N -1 3 369.509 3.035 20 0 FGADHM Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccc([O-])c(C)c2)cc1 ZINC000436927692 501233838 /nfs/dbraw/zinc/23/38/38/501233838.db2.gz OPQZLIREMZQSQP-INIZCTEOSA-N -1 3 356.447 3.163 20 0 FGADHM CO[C@H](C)CS(=O)(=O)[N-]c1ccc(-c2cn3ccc(C)cc3n2)cc1 ZINC000450963477 501235295 /nfs/dbraw/zinc/23/52/95/501235295.db2.gz BKKQUIZZOHURLR-CQSZACIVSA-N -1 3 359.451 3.086 20 0 FGADHM Cc1csc(S(=O)(=O)[N-]c2ccc(OCCN(C)C)c(Cl)c2)c1 ZINC000450971627 501235957 /nfs/dbraw/zinc/23/59/57/501235957.db2.gz PAIIRVZQZZUGGF-UHFFFAOYSA-N -1 3 374.915 3.451 20 0 FGADHM Cc1cc(-c2nc(C3CC3)no2)ccc1[N-]S(=O)(=O)CCCCF ZINC000451043557 501241453 /nfs/dbraw/zinc/24/14/53/501241453.db2.gz XLFLDEUKWIIALB-UHFFFAOYSA-N -1 3 353.419 3.414 20 0 FGADHM CCOc1ccncc1S(=O)(=O)[N-][C@H]1CCSc2c(F)cccc21 ZINC000451043480 501241457 /nfs/dbraw/zinc/24/14/57/501241457.db2.gz HAIGMMSCCRLPFX-ZDUSSCGKSA-N -1 3 368.455 3.135 20 0 FGADHM Cc1csc(S(=O)(=O)[N-]Cc2ccc(N3CCC(C)CC3)nc2)c1 ZINC000451063598 501242884 /nfs/dbraw/zinc/24/28/84/501242884.db2.gz MVFUOGSFXHNSLF-UHFFFAOYSA-N -1 3 365.524 3.166 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)c1ccc(NC(C)=O)c2ccccc21)C(F)F ZINC000451085538 501244278 /nfs/dbraw/zinc/24/42/78/501244278.db2.gz SKXVEUMYEBIGQH-ZDUSSCGKSA-N -1 3 356.394 3.120 20 0 FGADHM CCOc1ccncc1S(=O)(=O)[N-][C@H](CC(F)(F)F)c1ccccc1 ZINC000451093028 501245001 /nfs/dbraw/zinc/24/50/01/501245001.db2.gz VJFSEWAVHYYLHO-CYBMUJFWSA-N -1 3 374.384 3.452 20 0 FGADHM CN1CCC(Oc2ccc(Cl)cc2[N-]S(=O)(=O)c2ccco2)CC1 ZINC000451115337 501246815 /nfs/dbraw/zinc/24/68/15/501246815.db2.gz OLNMJVWQPNCMNB-UHFFFAOYSA-N -1 3 370.858 3.207 20 0 FGADHM O=S(=O)([N-]C1CCN(CC2CCCC2)CC1)c1sccc1Cl ZINC000451127737 501247275 /nfs/dbraw/zinc/24/72/75/501247275.db2.gz VGFOQGDFDXZITM-UHFFFAOYSA-N -1 3 362.948 3.334 20 0 FGADHM CCc1cc(=O)[n-]c(CNC2(c3ccc(OC(F)(F)F)cc3)CC2)n1 ZINC000451141441 501247848 /nfs/dbraw/zinc/24/78/48/501247848.db2.gz CMXOWKIEZWVRTA-UHFFFAOYSA-N -1 3 353.344 3.422 20 0 FGADHM CCCOC1(C[N-]S(=O)(=O)C[C@H]2CCCC2(F)F)CCCCC1 ZINC000451281539 501257126 /nfs/dbraw/zinc/25/71/26/501257126.db2.gz AYVATKFIGJRBAB-CQSZACIVSA-N -1 3 353.475 3.471 20 0 FGADHM CCOC(=O)c1sc([C@@H](C)[N-]S(=O)(=O)c2cc(C)cs2)nc1C ZINC000451311128 501261905 /nfs/dbraw/zinc/26/19/05/501261905.db2.gz SFVDLJMRZONWAR-SNVBAGLBSA-N -1 3 374.509 3.038 20 0 FGADHM CCN(Cc1ccccc1)C(=O)Cc1noc(Cc2ccc([O-])c(F)c2)n1 ZINC000453161187 501282218 /nfs/dbraw/zinc/28/22/18/501282218.db2.gz CHSKIGYOLKMANM-UHFFFAOYSA-N -1 3 369.396 3.096 20 0 FGADHM C[C@H]1C[C@@H](CC[N-]S(=O)(=O)c2ccc3ccccc3c2F)CCO1 ZINC000451395821 501282476 /nfs/dbraw/zinc/28/24/76/501282476.db2.gz RNQYWUJRZBVUEH-KBPBESRZSA-N -1 3 351.443 3.462 20 0 FGADHM O=C(NCc1ccc([O-])c(Br)c1)NC[C@@H]1CCCC1(F)F ZINC000455412602 501295710 /nfs/dbraw/zinc/29/57/10/501295710.db2.gz OBLPCOPOGNFZON-JTQLQIEISA-N -1 3 363.202 3.389 20 0 FGADHM CC1(F)CC([N-]S(=O)(=O)c2cccc(Cl)c2Br)C1 ZINC000451635723 501341023 /nfs/dbraw/zinc/34/10/23/501341023.db2.gz WWPQIGUBQNMHEQ-UHFFFAOYSA-N -1 3 356.644 3.271 20 0 FGADHM Cc1nc(C[N-]S(=O)(=O)CC2CCCCC2)sc1Br ZINC000451667837 501347242 /nfs/dbraw/zinc/34/72/42/501347242.db2.gz ZBDCYHMBEFPTFA-UHFFFAOYSA-N -1 3 367.334 3.214 20 0 FGADHM C[C@H](CCCCO)[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000451719364 501359306 /nfs/dbraw/zinc/35/93/06/501359306.db2.gz IZKFPLVWNDVBCB-SECBINFHSA-N -1 3 359.797 3.188 20 0 FGADHM CC(C)[C@H]1C[C@H](C[N-]S(=O)(=O)c2ccccc2C(F)(F)F)CCO1 ZINC000451820833 501379684 /nfs/dbraw/zinc/37/96/84/501379684.db2.gz FJABWVFRKFZGJA-TZMCWYRMSA-N -1 3 365.417 3.435 20 0 FGADHM COc1cc(Cl)c(S(=O)(=O)[N-]C[C@H]2CCCC2(F)F)cc1OC ZINC000451826322 501380925 /nfs/dbraw/zinc/38/09/25/501380925.db2.gz SCZYBKLBIXNAMC-SECBINFHSA-N -1 3 369.817 3.071 20 0 FGADHM CO[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000451873455 501390514 /nfs/dbraw/zinc/39/05/14/501390514.db2.gz OVNSHJLQUNZOEV-GHMZBOCLSA-N -1 3 357.781 3.205 20 0 FGADHM CCc1nc([N-]C(=O)c2c(OC)ncnc2OC)sc1C(C)(C)C ZINC000458270020 501407937 /nfs/dbraw/zinc/40/79/37/501407937.db2.gz HVLLSTFSVDRYEN-UHFFFAOYSA-N -1 3 350.444 3.063 20 0 FGADHM CCc1ncc(C[N-]S(=O)(=O)c2c(C)cc(Br)cc2C)o1 ZINC000451959309 501408275 /nfs/dbraw/zinc/40/82/75/501408275.db2.gz NALJSDWWXIUYBX-UHFFFAOYSA-N -1 3 373.272 3.095 20 0 FGADHM CCc1nc(NC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)sc1C(C)(C)C ZINC000458278870 501410085 /nfs/dbraw/zinc/41/00/85/501410085.db2.gz QWXGNEIKINGXGJ-UHFFFAOYSA-N -1 3 357.435 3.139 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@]2(C)CC=CCC2)c1 ZINC000458336440 501422650 /nfs/dbraw/zinc/42/26/50/501422650.db2.gz MAPQUCWTBXVHSJ-LJQANCHMSA-N -1 3 355.394 3.170 20 0 FGADHM CC1(C)Cc2ccc(C(=O)N3CCCC[C@@H]3[C@@H]3CCC[C@@H]3O)c([O-])c2O1 ZINC000456097010 501453996 /nfs/dbraw/zinc/45/39/96/501453996.db2.gz IMRVQSRKGMIBGZ-UAGQMJEPSA-N -1 3 359.466 3.261 20 0 FGADHM C[C@]1(F)CCCN(C(=O)c2c[n-]c3ccc(Br)cc3c2=O)C1 ZINC000452198253 501459427 /nfs/dbraw/zinc/45/94/27/501459427.db2.gz UPFWUAGTGZILJM-INIZCTEOSA-N -1 3 367.218 3.255 20 0 FGADHM CCO[C@@H]1CCN(C(=O)NCc2ccc([O-])c(Br)c2)C[C@@H]1C ZINC000458551082 501472490 /nfs/dbraw/zinc/47/24/90/501472490.db2.gz LGTKFLAJZFTHOO-XHDPSFHLSA-N -1 3 371.275 3.111 20 0 FGADHM CCO[C@H]1CCN(C(=O)NCc2ccc([O-])c(Br)c2)C[C@@H]1C ZINC000458551081 501472531 /nfs/dbraw/zinc/47/25/31/501472531.db2.gz LGTKFLAJZFTHOO-NHYWBVRUSA-N -1 3 371.275 3.111 20 0 FGADHM CCCCOc1ccc(C(=O)NCc2ncc(C(F)(F)F)cn2)c([O-])c1 ZINC000452705211 501548373 /nfs/dbraw/zinc/54/83/73/501548373.db2.gz PRHQEHHMIPLXQP-UHFFFAOYSA-N -1 3 369.343 3.310 20 0 FGADHM O=C(NCC1(CF)CCOCC1)c1cc(OCc2ccccc2)ccc1[O-] ZINC000452801180 501564663 /nfs/dbraw/zinc/56/46/63/501564663.db2.gz YQEQVYHFXNRDRV-UHFFFAOYSA-N -1 3 373.424 3.467 20 0 FGADHM CO[C@H]1CCN(C(=O)c2cc(OCc3ccccc3)ccc2[O-])C[C@@H]1C ZINC000452890421 501581221 /nfs/dbraw/zinc/58/12/21/501581221.db2.gz QKKJFZIJWOWWGE-YWZLYKJASA-N -1 3 355.434 3.468 20 0 FGADHM O=C(c1ccc2n[n-]nc2c1)N1CCC(Cc2cc(F)cc(F)c2)CC1 ZINC000456739725 501590694 /nfs/dbraw/zinc/59/06/94/501590694.db2.gz ZUAODLREWPBHQM-UHFFFAOYSA-N -1 3 356.376 3.331 20 0 FGADHM COc1cc(F)c(S(=O)(=O)[N-][C@H]2CCc3ccc(C)cc32)cc1OC ZINC000592821708 506262963 /nfs/dbraw/zinc/26/29/63/506262963.db2.gz PYEDAEYNHHPFQQ-HNNXBMFYSA-N -1 3 365.426 3.117 20 0 FGADHM Cc1ccc(Br)cc1CS(=O)(=O)c1nnc(C(C)(C)C)[n-]1 ZINC000453031578 501605292 /nfs/dbraw/zinc/60/52/92/501605292.db2.gz SIRCEYNGXPGAQX-UHFFFAOYSA-N -1 3 372.288 3.147 20 0 FGADHM CC(C)(CNC(=O)Cc1ccc(Br)cc1[O-])C1(O)CCCC1 ZINC000456840204 501608671 /nfs/dbraw/zinc/60/86/71/501608671.db2.gz IHUQSEFXURBUSM-UHFFFAOYSA-N -1 3 370.287 3.145 20 0 FGADHM CCC[C@@H]1CCCC[C@@H]1CNC(=O)c1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000456863655 501611882 /nfs/dbraw/zinc/61/18/82/501611882.db2.gz RMNIXPAVMNOKID-IUSZMWJPSA-N -1 3 371.481 3.078 20 0 FGADHM O=c1cc(CN2CCC(Oc3ccc(F)cc3F)CC2)nc(C2CC2)[n-]1 ZINC000459310751 501628574 /nfs/dbraw/zinc/62/85/74/501628574.db2.gz XHDOLZUALAYUOZ-UHFFFAOYSA-N -1 3 361.392 3.381 20 0 FGADHM Cc1noc(C2CCN(Cc3cccc([O-])c3Br)CC2)n1 ZINC000459317201 501629635 /nfs/dbraw/zinc/62/96/35/501629635.db2.gz BIAWDZKZNABZCD-UHFFFAOYSA-N -1 3 352.232 3.226 20 0 FGADHM O=c1cc(CN(CCO)[C@@H]2CCc3ccccc32)nc(-c2ccccc2)[n-]1 ZINC000459340738 501634906 /nfs/dbraw/zinc/63/49/06/501634906.db2.gz IWWVTKUOWWBNDY-HXUWFJFHSA-N -1 3 361.445 3.331 20 0 FGADHM CC(C)(C)C[C@H]1CCN(C(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)C1 ZINC000457015972 501635522 /nfs/dbraw/zinc/63/55/22/501635522.db2.gz LCINETUIZGAULS-GFCCVEGCSA-N -1 3 356.463 3.096 20 0 FGADHM CC[C@@H]1C[C@H]1CNC(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000454849462 501642942 /nfs/dbraw/zinc/64/29/42/501642942.db2.gz DMJJBTITECIUQX-NEPJUHHUSA-N -1 3 371.478 3.070 20 0 FGADHM CCOc1cc(CN[C@H]2CCN(c3ccccc3)C2=O)cc(Cl)c1[O-] ZINC000459395058 501646245 /nfs/dbraw/zinc/64/62/45/501646245.db2.gz ARCUYOYAMDHZTR-INIZCTEOSA-N -1 3 360.841 3.339 20 0 FGADHM O=c1cc(CN2CCO[C@@H](c3ccc(F)cc3Cl)C2)nc(C2CC2)[n-]1 ZINC000459415721 501649914 /nfs/dbraw/zinc/64/99/14/501649914.db2.gz WZHXLVGAHMKDSM-MRXNPFEDSA-N -1 3 363.820 3.426 20 0 FGADHM COc1ccc(C2(NCc3cc(=O)[n-]c(C4CC4)n3)CCOCC2)cc1F ZINC000459435674 501653429 /nfs/dbraw/zinc/65/34/29/501653429.db2.gz WUYDLEFWNURCLS-UHFFFAOYSA-N -1 3 373.428 3.003 20 0 FGADHM O=c1cc(CN2CC[C@H](OCc3ccncc3)C2)nc(-c2ccccc2)[n-]1 ZINC000459444389 501654995 /nfs/dbraw/zinc/65/49/95/501654995.db2.gz NSYGZZJLGZXFME-IBGZPJMESA-N -1 3 362.433 3.035 20 0 FGADHM O=c1cc(CN2CCCN(c3ccc(F)c(F)c3)CC2)nc(C2CC2)[n-]1 ZINC000459447126 501655493 /nfs/dbraw/zinc/65/54/93/501655493.db2.gz GDPBPPZOSAVAPE-UHFFFAOYSA-N -1 3 360.408 3.050 20 0 FGADHM COc1ccc([C@@H](CCO)NCc2cccc([O-])c2Br)cc1 ZINC000459450799 501656135 /nfs/dbraw/zinc/65/61/35/501656135.db2.gz KRYXUJIGGOEQBV-OAHLLOKOSA-N -1 3 366.255 3.377 20 0 FGADHM CC[C@@H](C)n1[nH]c(=NC(=O)N=c2[nH][n-]c(-c3ccccc3)c2C)cc1C ZINC000459472247 501659239 /nfs/dbraw/zinc/65/92/39/501659239.db2.gz ASGGUARLIMTPPM-GFCCVEGCSA-N -1 3 352.442 3.349 20 0 FGADHM [O-]c1cccc(CN2CCC(O)(C(F)(F)F)CC2)c1Br ZINC000459490403 501662673 /nfs/dbraw/zinc/66/26/73/501662673.db2.gz YEAHBNPKDMCEPG-UHFFFAOYSA-N -1 3 354.166 3.044 20 0 FGADHM CCOc1cc(CN2CCO[C@H](C3CC3)C2)cc(Br)c1[O-] ZINC000459496747 501664096 /nfs/dbraw/zinc/66/40/96/501664096.db2.gz HMUDPWVLUMECFJ-HNNXBMFYSA-N -1 3 356.260 3.164 20 0 FGADHM CC(C)(C)OC(=O)[C@@]1(C)CCN(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000457226521 501668449 /nfs/dbraw/zinc/66/84/49/501668449.db2.gz FSYMUFGWTUSVRR-FQEVSTJZSA-N -1 3 365.445 3.434 20 0 FGADHM Cc1ccc(C[C@@H](CO)NCc2cccc([O-])c2Br)cc1C ZINC000459599645 501684361 /nfs/dbraw/zinc/68/43/61/501684361.db2.gz RUBLUBXJGTXQPW-INIZCTEOSA-N -1 3 364.283 3.465 20 0 FGADHM CC(C)Cn1cc(C(=O)Nc2nnc(-c3cc4ccccc4o3)[n-]2)cn1 ZINC000485125456 501728821 /nfs/dbraw/zinc/72/88/21/501728821.db2.gz DIZDFQXIPUCUQZ-UHFFFAOYSA-N -1 3 350.382 3.323 20 0 FGADHM CC(C)Cn1cc(C(=O)Nc2nc(-c3cc4ccccc4o3)n[n-]2)cn1 ZINC000485125456 501728823 /nfs/dbraw/zinc/72/88/23/501728823.db2.gz DIZDFQXIPUCUQZ-UHFFFAOYSA-N -1 3 350.382 3.323 20 0 FGADHM CC(C)Cn1cc(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)cn1 ZINC000485125456 501728829 /nfs/dbraw/zinc/72/88/29/501728829.db2.gz DIZDFQXIPUCUQZ-UHFFFAOYSA-N -1 3 350.382 3.323 20 0 FGADHM COC[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)C(C)C)cc1)c1ccc(C)o1 ZINC000474171329 501730149 /nfs/dbraw/zinc/73/01/49/501730149.db2.gz DDIRDMYBQYUJPO-MRXNPFEDSA-N -1 3 365.451 3.093 20 0 FGADHM O=C(Nc1nnc(-c2cc3ccccc3o2)[n-]1)c1ccc2nsnc2c1 ZINC000485136548 501733982 /nfs/dbraw/zinc/73/39/82/501733982.db2.gz TVUSAHCWLNJFRQ-UHFFFAOYSA-N -1 3 362.374 3.475 20 0 FGADHM O=C(Nc1nc(-c2cc3ccccc3o2)n[n-]1)c1ccc2nsnc2c1 ZINC000485136548 501733985 /nfs/dbraw/zinc/73/39/85/501733985.db2.gz TVUSAHCWLNJFRQ-UHFFFAOYSA-N -1 3 362.374 3.475 20 0 FGADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)c1ccc2nsnc2c1 ZINC000485136548 501733986 /nfs/dbraw/zinc/73/39/86/501733986.db2.gz TVUSAHCWLNJFRQ-UHFFFAOYSA-N -1 3 362.374 3.475 20 0 FGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]CCCc1cnn(C)c1 ZINC000470600532 501739448 /nfs/dbraw/zinc/73/94/48/501739448.db2.gz IMUQAIXFQOUBPX-UHFFFAOYSA-N -1 3 367.858 3.039 20 0 FGADHM COC(=O)c1csc(S(=O)(=O)[N-][C@@H](C)[C@@H](C)c2ccccc2)c1 ZINC000474216963 501747542 /nfs/dbraw/zinc/74/75/42/501747542.db2.gz XICHIFZJYIBPRN-NEPJUHHUSA-N -1 3 353.465 3.005 20 0 FGADHM CCCCCN(CC(N)=O)Cc1cc(Br)c([O-])c(OCC)c1 ZINC000485207832 501755171 /nfs/dbraw/zinc/75/51/71/501755171.db2.gz BUGUOLVHBBIKIW-UHFFFAOYSA-N -1 3 373.291 3.031 20 0 FGADHM Cc1cc(C)cc(-c2cc(=NC(=O)[C@H]3CCCN3c3nccs3)[nH][n-]2)c1 ZINC000460279295 501778516 /nfs/dbraw/zinc/77/85/16/501778516.db2.gz GHQCCSQYWZIZHN-MRXNPFEDSA-N -1 3 367.478 3.179 20 0 FGADHM COC(=O)c1ccc(OC)c(S(=O)(=O)[N-]c2cc(C)ccc2Cl)c1 ZINC000474311183 501785702 /nfs/dbraw/zinc/78/57/02/501785702.db2.gz IMWDYQFCVAXKHB-UHFFFAOYSA-N -1 3 369.826 3.244 20 0 FGADHM O=C(N=c1nc(-c2ccccc2)[n-]s1)N1CCN(C2CCCCC2)CC1 ZINC000481499116 501793045 /nfs/dbraw/zinc/79/30/45/501793045.db2.gz BVMXHDZJWJWJEX-UHFFFAOYSA-N -1 3 371.510 3.109 20 0 FGADHM O=C(CCCOc1ccc2c(c1)CCC2)Nc1nnc(-c2ccco2)[n-]1 ZINC000481530771 501804073 /nfs/dbraw/zinc/80/40/73/501804073.db2.gz LCMFEKYDHOKAIW-UHFFFAOYSA-N -1 3 352.394 3.351 20 0 FGADHM O=C(CCCOc1ccc2c(c1)CCC2)Nc1nc(-c2ccco2)n[n-]1 ZINC000481530771 501804078 /nfs/dbraw/zinc/80/40/78/501804078.db2.gz LCMFEKYDHOKAIW-UHFFFAOYSA-N -1 3 352.394 3.351 20 0 FGADHM O=C(CCCOc1ccc2c(c1)CCC2)Nc1n[n-]c(-c2ccco2)n1 ZINC000481530771 501804083 /nfs/dbraw/zinc/80/40/83/501804083.db2.gz LCMFEKYDHOKAIW-UHFFFAOYSA-N -1 3 352.394 3.351 20 0 FGADHM Cc1nnc(-c2cccc([N-]S(=O)(=O)c3c(C)cc(F)cc3C)c2)n1C ZINC000485392730 501807191 /nfs/dbraw/zinc/80/71/91/501807191.db2.gz WBIUFSRTTCPVQH-UHFFFAOYSA-N -1 3 374.441 3.347 20 0 FGADHM COC(=O)c1cc(F)cc([N-]S(=O)(=O)c2c(C)cc(F)cc2C)c1F ZINC000485396517 501807849 /nfs/dbraw/zinc/80/78/49/501807849.db2.gz WWWVOYPBWISNED-UHFFFAOYSA-N -1 3 373.352 3.308 20 0 FGADHM O=S(=O)([N-]CCOC(F)(F)F)c1cc(C(F)(F)F)ccc1Cl ZINC000474376769 501812805 /nfs/dbraw/zinc/81/28/05/501812805.db2.gz WBYURZUXFAWAPF-UHFFFAOYSA-N -1 3 371.686 3.174 20 0 FGADHM CCC[C@](C)([N-]S(=O)(=O)c1ccc(Cl)cc1Cl)C(=O)OC ZINC000485436993 501821247 /nfs/dbraw/zinc/82/12/47/501821247.db2.gz MEFVXMCMBZFZRT-ZDUSSCGKSA-N -1 3 354.255 3.004 20 0 FGADHM C[N-]S(=O)(=O)c1cc(C(=O)NC(C)(C)CC2CCCCCC2)c(C)o1 ZINC000474412794 501827732 /nfs/dbraw/zinc/82/77/32/501827732.db2.gz LHBNJAQXIAUDGC-UHFFFAOYSA-N -1 3 370.515 3.365 20 0 FGADHM CN(C)[C@@H](C(=O)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1)c1ccccc1 ZINC000467719501 501853771 /nfs/dbraw/zinc/85/37/71/501853771.db2.gz BOFXTCOYTYBJRV-GOSISDBHSA-N -1 3 356.376 3.018 20 0 FGADHM CC[C@@H](C)CN(CC)C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000481721336 501863341 /nfs/dbraw/zinc/86/33/41/501863341.db2.gz VWMXLFSGHDHYAH-CYBMUJFWSA-N -1 3 371.503 3.357 20 0 FGADHM CCO[C@H](C)c1nc(CN(C)C(=O)c2c[n-]c3ccccc3c2=O)cs1 ZINC000463972012 501867526 /nfs/dbraw/zinc/86/75/26/501867526.db2.gz DNDPLMUVBDRCEY-GFCCVEGCSA-N -1 3 371.462 3.354 20 0 FGADHM Cc1ccc([C@@H]2OCCC[C@H]2[N-]S(=O)(=O)c2cc(F)cc(F)c2)cc1 ZINC000467792522 501874591 /nfs/dbraw/zinc/87/45/91/501874591.db2.gz HAKCMUSNOQXYJK-MSOLQXFVSA-N -1 3 367.417 3.472 20 0 FGADHM COC(=O)c1cc(F)cc([N-]C(=O)c2ncccc2C(F)(F)F)c1F ZINC000478100303 501881666 /nfs/dbraw/zinc/88/16/66/501881666.db2.gz JGUQCKVTICTXHE-UHFFFAOYSA-N -1 3 360.238 3.418 20 0 FGADHM CCC[C@@H]1C[C@H]1C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000464043515 501883037 /nfs/dbraw/zinc/88/30/37/501883037.db2.gz DXJLWJKZLVYUEZ-DGCLKSJQSA-N -1 3 356.463 3.277 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-][C@H](C)[C@H](c2ccccc2)N(C)C)c(F)c1 ZINC000474583083 501884455 /nfs/dbraw/zinc/88/44/55/501884455.db2.gz GZAOOAVAVIEUGD-RDTXWAMCSA-N -1 3 350.459 3.104 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]Cc2ccc(C(F)(F)F)cc2)c(F)c1 ZINC000478144048 501892200 /nfs/dbraw/zinc/89/22/00/501892200.db2.gz ZCZITVNRFWAKNQ-UHFFFAOYSA-N -1 3 363.332 3.332 20 0 FGADHM CCCCc1nc(C(=O)OCC)c(NC(=O)c2ccc(C3CC3)cn2)[n-]1 ZINC000485667174 501893507 /nfs/dbraw/zinc/89/35/07/501893507.db2.gz HGPQJINYQIUCJU-UHFFFAOYSA-N -1 3 356.426 3.454 20 0 FGADHM CCCCc1nc(NC(=O)c2ccc(C3CC3)cn2)c(C(=O)OCC)[n-]1 ZINC000485667174 501893513 /nfs/dbraw/zinc/89/35/13/501893513.db2.gz HGPQJINYQIUCJU-UHFFFAOYSA-N -1 3 356.426 3.454 20 0 FGADHM C[C@H](C(=O)Nc1ccccc1[N-]S(C)(=O)=O)c1ccc(F)c(F)c1 ZINC000460688328 501896433 /nfs/dbraw/zinc/89/64/33/501896433.db2.gz KBUPRSYVZXQOBE-JTQLQIEISA-N -1 3 354.378 3.079 20 0 FGADHM C[C@@H](C(=O)Nc1ccccc1[N-]S(C)(=O)=O)c1cccc(Cl)c1 ZINC000460689680 501897187 /nfs/dbraw/zinc/89/71/87/501897187.db2.gz MQQYRHXLDBNEQR-LLVKDONJSA-N -1 3 352.843 3.454 20 0 FGADHM CSc1cccc([C@@H](NC(=O)c2c[n-]nn2)c2ccc(F)c(F)c2)c1 ZINC000464130175 501904152 /nfs/dbraw/zinc/90/41/52/501904152.db2.gz FUNPTZUSNILLLC-MRXNPFEDSA-N -1 3 360.389 3.324 20 0 FGADHM CSc1cccc([C@@H](NC(=O)c2cnn[n-]2)c2ccc(F)c(F)c2)c1 ZINC000464130175 501904157 /nfs/dbraw/zinc/90/41/57/501904157.db2.gz FUNPTZUSNILLLC-MRXNPFEDSA-N -1 3 360.389 3.324 20 0 FGADHM CSc1cccc([C@@H](NC(=O)c2cn[n-]n2)c2ccc(F)c(F)c2)c1 ZINC000464130175 501904164 /nfs/dbraw/zinc/90/41/64/501904164.db2.gz FUNPTZUSNILLLC-MRXNPFEDSA-N -1 3 360.389 3.324 20 0 FGADHM CCc1cc(C(=O)N[C@@H](C)c2cc(OC)c(OC)c(OC)c2)ccc1[O-] ZINC000485706411 501909225 /nfs/dbraw/zinc/90/92/25/501909225.db2.gz ANFNWHKYBLVONG-LBPRGKRZSA-N -1 3 359.422 3.471 20 0 FGADHM O=C(C[N-]S(=O)(=O)c1cc(F)cc(Cl)c1)c1ccccc1Cl ZINC000464184784 501916062 /nfs/dbraw/zinc/91/60/62/501916062.db2.gz LGUIVOWUNUMDMY-UHFFFAOYSA-N -1 3 362.209 3.294 20 0 FGADHM Cc1cc(C)cc(-c2n[n-]c(=NC(=O)N3CCCN(C(C)C)CC3)s2)c1 ZINC000481953448 501927227 /nfs/dbraw/zinc/92/72/27/501927227.db2.gz NBZWFYGOVMPINH-UHFFFAOYSA-N -1 3 373.526 3.192 20 0 FGADHM Cc1cc(C)cc(-c2n[n-]c(=NC(=O)N(C)C[C@H]3CCCN(C)C3)s2)c1 ZINC000481955990 501928137 /nfs/dbraw/zinc/92/81/37/501928137.db2.gz JNNOGJYXXWEQJU-HNNXBMFYSA-N -1 3 373.526 3.049 20 0 FGADHM CCc1ncc(S(=O)(=O)[N-][C@H](C)[C@@H](OC)c2ccc(Cl)cc2)s1 ZINC000460948696 501967111 /nfs/dbraw/zinc/96/71/11/501967111.db2.gz KILMKSXDCRRYCG-MEBBXXQBSA-N -1 3 374.915 3.413 20 0 FGADHM Cc1cccc(S(=O)(=O)[N-][C@@H](C)CC(F)(F)F)c1Br ZINC000464378338 501971189 /nfs/dbraw/zinc/97/11/89/501971189.db2.gz SBEZGXZHLSUQCV-QMMMGPOBSA-N -1 3 360.195 3.377 20 0 FGADHM CC[C@@H](NCc1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1)c1cc(F)ccc1F ZINC000482094836 501972573 /nfs/dbraw/zinc/97/25/73/501972573.db2.gz NNIYQYIGLKUFBA-YLJYHZDGSA-N -1 3 373.403 3.260 20 0 FGADHM Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)NCc1ncccc1[O-] ZINC000471277815 501977453 /nfs/dbraw/zinc/97/74/53/501977453.db2.gz MHOZHMLGRSBGLR-UHFFFAOYSA-N -1 3 356.426 3.402 20 0 FGADHM COC(=O)c1ccc(C(C)C)c(NC(=O)CCc2c(C)nc(C)[n-]c2=O)c1 ZINC000468184601 501981141 /nfs/dbraw/zinc/98/11/41/501981141.db2.gz XAHUPSDOWZKKGB-UHFFFAOYSA-N -1 3 371.437 3.280 20 0 FGADHM Cc1cccc2[nH]cc(CC[N-]S(=O)(=O)c3cc(F)c(F)c(F)c3)c21 ZINC000485902783 501982876 /nfs/dbraw/zinc/98/28/76/501982876.db2.gz CYDNNRRUKSKOGL-UHFFFAOYSA-N -1 3 368.380 3.415 20 0 FGADHM CCN=c1[n-]c(C(=O)NCC2(CCOCc3ccccc3)CC2)cs1 ZINC000474896347 501983057 /nfs/dbraw/zinc/98/30/57/501983057.db2.gz PRZRBWNQLJXQHL-UHFFFAOYSA-N -1 3 359.495 3.114 20 0 FGADHM O=C(CNC(=O)c1cccc([O-])c1)NCC1(c2cccs2)CCCCC1 ZINC000471376926 502003685 /nfs/dbraw/zinc/00/36/85/502003685.db2.gz RYVBKMODOWFDTD-UHFFFAOYSA-N -1 3 372.490 3.202 20 0 FGADHM Cc1nc(C(=O)NCc2nnc(C(F)(F)F)[n-]2)c(-c2ccccc2)s1 ZINC000482209866 502008144 /nfs/dbraw/zinc/00/81/44/502008144.db2.gz KUAXBNCDLIEKCU-UHFFFAOYSA-N -1 3 367.356 3.185 20 0 FGADHM Cc1nc(C(=O)NCc2n[n-]c(C(F)(F)F)n2)c(-c2ccccc2)s1 ZINC000482209866 502008152 /nfs/dbraw/zinc/00/81/52/502008152.db2.gz KUAXBNCDLIEKCU-UHFFFAOYSA-N -1 3 367.356 3.185 20 0 FGADHM Cc1nc(C(=O)NCc2nc(C(F)(F)F)n[n-]2)c(-c2ccccc2)s1 ZINC000482209866 502008157 /nfs/dbraw/zinc/00/81/57/502008157.db2.gz KUAXBNCDLIEKCU-UHFFFAOYSA-N -1 3 367.356 3.185 20 0 FGADHM CN(C(=O)CNC(=O)c1cccc([O-])c1)C1c2ccccc2-c2ccccc21 ZINC000471389930 502008912 /nfs/dbraw/zinc/00/89/12/502008912.db2.gz DHNSFTIPCCCYMN-UHFFFAOYSA-N -1 3 372.424 3.350 20 0 FGADHM C[C@H]1CCc2ccccc2N1CCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000468258688 502009310 /nfs/dbraw/zinc/00/93/10/502009310.db2.gz DELGBXOOQRAYFT-AWEZNQCLSA-N -1 3 362.437 3.037 20 0 FGADHM C[C@H]1CCc2ccccc2N1CCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000468258688 502009314 /nfs/dbraw/zinc/00/93/14/502009314.db2.gz DELGBXOOQRAYFT-AWEZNQCLSA-N -1 3 362.437 3.037 20 0 FGADHM Cc1cccc(C2(CNC(=O)CNC(=O)c3cccc([O-])c3)CCCC2)c1 ZINC000471392056 502010259 /nfs/dbraw/zinc/01/02/59/502010259.db2.gz UHSQBHVAUOLZGP-UHFFFAOYSA-N -1 3 366.461 3.059 20 0 FGADHM CCCOc1ccc(Cl)cc1C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000482224217 502012768 /nfs/dbraw/zinc/01/27/68/502012768.db2.gz YWZVJKCNEMPPMT-UHFFFAOYSA-N -1 3 362.739 3.196 20 0 FGADHM CCCOc1ccc(Cl)cc1C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000482224217 502012776 /nfs/dbraw/zinc/01/27/76/502012776.db2.gz YWZVJKCNEMPPMT-UHFFFAOYSA-N -1 3 362.739 3.196 20 0 FGADHM CCCOc1ccc(Cl)cc1C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000482224217 502012783 /nfs/dbraw/zinc/01/27/83/502012783.db2.gz YWZVJKCNEMPPMT-UHFFFAOYSA-N -1 3 362.739 3.196 20 0 FGADHM Cc1nc(-c2ccc(NC(=O)CNC(=O)c3cccc([O-])c3)cc2)cs1 ZINC000471402785 502013697 /nfs/dbraw/zinc/01/36/97/502013697.db2.gz GFUNIOWSLUZRNC-UHFFFAOYSA-N -1 3 367.430 3.193 20 0 FGADHM CCc1cc(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C)cc2)ccc1[O-] ZINC000486031306 502024685 /nfs/dbraw/zinc/02/46/85/502024685.db2.gz SZCDFDBRBAKSLO-KRWDZBQOSA-N -1 3 370.474 3.417 20 0 FGADHM NC(=O)[C@H]1Cc2ccccc2N(C(=O)c2cc3cc(Cl)sc3[n-]2)C1 ZINC000486093371 502043947 /nfs/dbraw/zinc/04/39/47/502043947.db2.gz UASXRNIIZYBYIR-NSHDSACASA-N -1 3 359.838 3.187 20 0 FGADHM NC(=O)[C@@H]1Cc2ccccc2N(C(=O)c2cc3cc(Cl)sc3[n-]2)C1 ZINC000486093370 502043997 /nfs/dbraw/zinc/04/39/97/502043997.db2.gz UASXRNIIZYBYIR-LLVKDONJSA-N -1 3 359.838 3.187 20 0 FGADHM C[C@@H](NC(=O)NCc1ncccc1[O-])c1ccc(Br)cc1 ZINC000471497571 502045913 /nfs/dbraw/zinc/04/59/13/502045913.db2.gz SMEAPLBTNDRMDD-SNVBAGLBSA-N -1 3 350.216 3.110 20 0 FGADHM CC(=O)c1cc(C(=O)Nc2n[n-]c(-c3ccccc3F)n2)c(C)nc1C ZINC000486209367 502082986 /nfs/dbraw/zinc/08/29/86/502082986.db2.gz FQDYOKRNAYSMBO-UHFFFAOYSA-N -1 3 353.357 3.078 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1cc(Cl)ccc1OC(F)F ZINC000482509854 502093727 /nfs/dbraw/zinc/09/37/27/502093727.db2.gz NCCQDLFPUYYRGP-UHFFFAOYSA-N -1 3 365.727 3.374 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cc(Cl)ccc1OC(F)F ZINC000482509854 502093730 /nfs/dbraw/zinc/09/37/30/502093730.db2.gz NCCQDLFPUYYRGP-UHFFFAOYSA-N -1 3 365.727 3.374 20 0 FGADHM CCc1cc(C(=O)NCCc2nc(-c3ccccn3)cs2)ccc1[O-] ZINC000486240594 502094954 /nfs/dbraw/zinc/09/49/54/502094954.db2.gz RIVZMXUAOPNRIB-UHFFFAOYSA-N -1 3 353.447 3.446 20 0 FGADHM Cc1ccc([C@@H]2OCCC[C@H]2NC(=O)c2ccc3[nH][n-]c(=O)c3c2)cc1 ZINC000611769247 506293348 /nfs/dbraw/zinc/29/33/48/506293348.db2.gz PJWJFVNKVHXMHC-MSOLQXFVSA-N -1 3 351.406 3.227 20 0 FGADHM O=C(CCCc1ccc([O-])c(F)c1)NCC[C@@H]1C(=O)Nc2ccccc21 ZINC000468551234 502102737 /nfs/dbraw/zinc/10/27/37/502102737.db2.gz CLNJCQCNWAPGCZ-HNNXBMFYSA-N -1 3 356.397 3.096 20 0 FGADHM Cc1ccccc1N1CCN(C(=O)c2c[n-]c3c(C)cccc3c2=O)CC1 ZINC000482538921 502105468 /nfs/dbraw/zinc/10/54/68/502105468.db2.gz QVIWUEZHBIHDGX-UHFFFAOYSA-N -1 3 361.445 3.107 20 0 FGADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCN(Cc2cccs2)CC1 ZINC000468558459 502106008 /nfs/dbraw/zinc/10/60/08/502106008.db2.gz CITSKROFRJPKFK-UHFFFAOYSA-N -1 3 362.470 3.260 20 0 FGADHM CC(C)Oc1ccc(CC[C@H](C)NC(=O)NCc2ncccc2[O-])cc1 ZINC000471684525 502108232 /nfs/dbraw/zinc/10/82/32/502108232.db2.gz HOPJXSIHWCHLTP-HNNXBMFYSA-N -1 3 357.454 3.395 20 0 FGADHM CCc1cc(C(=O)N(C)[C@H]2CCN(c3ccccc3Cl)C2=O)ccc1[O-] ZINC000486279897 502109157 /nfs/dbraw/zinc/10/91/57/502109157.db2.gz CVTIGLDAOXJEGJ-KRWDZBQOSA-N -1 3 372.852 3.486 20 0 FGADHM O=C(NCc1ccc(Br)cc1Cl)NCc1ncccc1[O-] ZINC000471723628 502119102 /nfs/dbraw/zinc/11/91/02/502119102.db2.gz FPVYCXKZLIHCHS-UHFFFAOYSA-N -1 3 370.634 3.203 20 0 FGADHM C[C@H](NC(=O)NCc1ncccc1[O-])c1ccc(OCC(F)(F)F)cc1 ZINC000471736735 502124057 /nfs/dbraw/zinc/12/40/57/502124057.db2.gz MPQQFAWRIJHMBW-NSHDSACASA-N -1 3 369.343 3.289 20 0 FGADHM C[C@@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1ccc2c(c1)CC(=O)N2 ZINC000468619411 502127057 /nfs/dbraw/zinc/12/70/57/502127057.db2.gz HDMMCTHVWPKXCR-GFCCVEGCSA-N -1 3 356.397 3.226 20 0 FGADHM CCC[C@H](NC(=O)c1[nH]c(=O)[n-]c(=O)c1N)c1ccc(Cl)c(Cl)c1 ZINC000468634058 502132998 /nfs/dbraw/zinc/13/29/98/502132998.db2.gz ZKQPSOXDQIAXMQ-JTQLQIEISA-N -1 3 371.224 3.048 20 0 FGADHM O=C(NCCCOc1ccc(Cl)cc1Cl)NCc1ncccc1[O-] ZINC000471773165 502133125 /nfs/dbraw/zinc/13/31/25/502133125.db2.gz SPDJRCHGUVKFIP-UHFFFAOYSA-N -1 3 370.236 3.362 20 0 FGADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]CCc1cn2ccccc2n1 ZINC000471779709 502134418 /nfs/dbraw/zinc/13/44/18/502134418.db2.gz JGANRMDGQZBLJG-UHFFFAOYSA-N -1 3 373.409 3.049 20 0 FGADHM C[C@@H]1C[C@H]1CC(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000486367193 502134687 /nfs/dbraw/zinc/13/46/87/502134687.db2.gz QPCCTNUYPFNJBF-BDAKNGLRSA-N -1 3 350.362 3.062 20 0 FGADHM C[C@H]1C[C@H]1CC(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000486367196 502134747 /nfs/dbraw/zinc/13/47/47/502134747.db2.gz QPCCTNUYPFNJBF-IUCAKERBSA-N -1 3 350.362 3.062 20 0 FGADHM CC[C@H](C)c1cc(C(=O)[N-]c2ccc(C(=O)OC)c(C(=O)OC)c2)on1 ZINC000464879097 502135491 /nfs/dbraw/zinc/13/54/91/502135491.db2.gz IYOIEJHYFSTORV-JTQLQIEISA-N -1 3 360.366 3.014 20 0 FGADHM COc1ccc(C(=O)Nc2cccc(CNCc3ncccc3[O-])c2)cc1 ZINC000475335658 502139800 /nfs/dbraw/zinc/13/98/00/502139800.db2.gz SBZIAIMBVHEITI-UHFFFAOYSA-N -1 3 363.417 3.338 20 0 FGADHM COC(=O)c1cc([N-]C(=O)c2ncoc2[C@H]2CCCO2)cc(Cl)c1F ZINC000482652059 502140637 /nfs/dbraw/zinc/14/06/37/502140637.db2.gz PLNPFRCJCAKDAF-LLVKDONJSA-N -1 3 368.748 3.358 20 0 FGADHM O=C1N[C@@H](c2ccc3ccccc3c2)C(=O)N1Cc1ccc([O-])c(F)c1 ZINC000479031441 502141889 /nfs/dbraw/zinc/14/18/89/502141889.db2.gz GHMAFRPYDRXAAB-SFHVURJKSA-N -1 3 350.349 3.478 20 0 FGADHM CC[C@H](NC(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C)c1)c1cccs1 ZINC000486419752 502148595 /nfs/dbraw/zinc/14/85/95/502148595.db2.gz OGMNLAQSHRQOLZ-LBPRGKRZSA-N -1 3 371.459 3.068 20 0 FGADHM Cn1c2cc([O-])c(NC(=O)c3cc4ccccc4s3)cc2n(C)c1=O ZINC000461610423 502152624 /nfs/dbraw/zinc/15/26/24/502152624.db2.gz QUBXCMRUNUFIFR-UHFFFAOYSA-N -1 3 353.403 3.050 20 0 FGADHM CC[C@H](C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C)C1CCC(C)CC1 ZINC000461614468 502153765 /nfs/dbraw/zinc/15/37/65/502153765.db2.gz AEETWQXUPNKSSH-RUXDESIVSA-N -1 3 359.470 3.374 20 0 FGADHM CC[C@H](C)[C@H](C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C)c1ccccc1 ZINC000461619069 502155716 /nfs/dbraw/zinc/15/57/16/502155716.db2.gz QLFSPECHDKQUQF-DJJJIMSYSA-N -1 3 367.449 3.351 20 0 FGADHM Cn1c2cc([O-])c(NC(=O)c3cccc(Cl)c3Cl)cc2n(C)c1=O ZINC000461628999 502157896 /nfs/dbraw/zinc/15/78/96/502157896.db2.gz IHPUTRHYUVEKCG-UHFFFAOYSA-N -1 3 366.204 3.142 20 0 FGADHM CCc1c(NC(=O)Cc2c(C)nc(C)[n-]c2=O)cnn1-c1cccc(C)c1 ZINC000482707979 502158962 /nfs/dbraw/zinc/15/89/62/502158962.db2.gz QFZRTTIZUYOXEY-UHFFFAOYSA-N -1 3 365.437 3.037 20 0 FGADHM CCc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)CCC(C)C)n2)cc1 ZINC000471897203 502166585 /nfs/dbraw/zinc/16/65/85/502166585.db2.gz GLOFUVJLWIAEDZ-ZDUSSCGKSA-N -1 3 351.472 3.326 20 0 FGADHM CC(C)[C@H]1C[C@@H](NC(=O)c2cncc([N-]S(C)(=O)=O)c2)c2ccccc21 ZINC000468743518 502166988 /nfs/dbraw/zinc/16/69/88/502166988.db2.gz MOOROSHPJIBLCJ-QZTJIDSGSA-N -1 3 373.478 3.068 20 0 FGADHM CN(CCNC(=O)CCCc1ccc([O-])c(F)c1)Cc1ccc(F)cc1 ZINC000468775058 502179040 /nfs/dbraw/zinc/17/90/40/502179040.db2.gz AXRZBNIEUIQJEU-UHFFFAOYSA-N -1 3 362.420 3.241 20 0 FGADHM CC[C@H]1C[C@@H](C)CN1C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000465066046 502184436 /nfs/dbraw/zinc/18/44/36/502184436.db2.gz KVZWXJJBYMCYBN-OCCSQVGLSA-N -1 3 369.487 3.109 20 0 FGADHM CCC(CC)(CCO)CNC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000465065505 502184561 /nfs/dbraw/zinc/18/45/61/502184561.db2.gz NCAKUJZHECUKDG-UHFFFAOYSA-N -1 3 372.469 3.468 20 0 FGADHM O=C(Nc1cccc(-c2n[nH]c(C3CC3)n2)c1)c1c[n-]nc1-c1ccncc1 ZINC000471985942 502191954 /nfs/dbraw/zinc/19/19/54/502191954.db2.gz VCAIAIRDKPURGN-UHFFFAOYSA-N -1 3 371.404 3.387 20 0 FGADHM COCCOc1ccc(F)cc1S(=O)(=O)[N-][C@@H]1C[C@@H]1C1CCCCC1 ZINC000468835270 502199960 /nfs/dbraw/zinc/19/99/60/502199960.db2.gz CSDMFOWNCAJSAC-HZPDHXFCSA-N -1 3 371.474 3.098 20 0 FGADHM Cc1cccc(O[C@H]2CCCC[C@H]2NC(=O)NCc2ncccc2[O-])c1 ZINC000472055093 502213799 /nfs/dbraw/zinc/21/37/99/502213799.db2.gz UWXXQGFBAJRYFY-APWZRJJASA-N -1 3 355.438 3.285 20 0 FGADHM COc1cccc(COCCNC(=O)CCCc2ccc([O-])c(F)c2)c1 ZINC000468876412 502214944 /nfs/dbraw/zinc/21/49/44/502214944.db2.gz GTABGDHUWRGHMV-UHFFFAOYSA-N -1 3 361.413 3.196 20 0 FGADHM CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-][C@@H](C)c1ccccc1Cl ZINC000486643512 502218242 /nfs/dbraw/zinc/21/82/42/502218242.db2.gz HTLRPRGIQNQBLX-JTQLQIEISA-N -1 3 371.842 3.322 20 0 FGADHM C[C@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)c1cccc(-n2cccn2)c1 ZINC000465220598 502218680 /nfs/dbraw/zinc/21/86/80/502218680.db2.gz ZTPPBMXGYUFMJT-AWEZNQCLSA-N -1 3 358.401 3.205 20 0 FGADHM Cc1ccccc1O[C@H]1CCCC[C@@H]1NC(=O)NCc1ncccc1[O-] ZINC000472071532 502219710 /nfs/dbraw/zinc/21/97/10/502219710.db2.gz DSUORBAIAJBMBA-KXBFYZLASA-N -1 3 355.438 3.285 20 0 FGADHM CC[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1OCCCOC ZINC000475593893 502222753 /nfs/dbraw/zinc/22/27/53/502222753.db2.gz DKGMWPVYEKEYJJ-QWHCGFSZSA-N -1 3 363.907 3.468 20 0 FGADHM Cc1cc(C)c2[n-]cc(C(=O)N3CC[C@H](Nc4ccccc4)C3)c(=O)c2c1 ZINC000482956239 502227634 /nfs/dbraw/zinc/22/76/34/502227634.db2.gz GZUPSNVDQKKQIV-KRWDZBQOSA-N -1 3 361.445 3.472 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-]Cc1nc2cc(Cl)ccc2s1 ZINC000472099734 502230768 /nfs/dbraw/zinc/23/07/68/502230768.db2.gz JUCYMZFCGCRWOL-UHFFFAOYSA-N -1 3 374.896 3.498 20 0 FGADHM C[C@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1ccc([S@@](C)=O)cc1 ZINC000468931005 502233752 /nfs/dbraw/zinc/23/37/52/502233752.db2.gz KPRCLARZSXMHRD-ZJWNCGCPSA-N -1 3 363.454 3.469 20 0 FGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H]2[C@@H]3c4ccccc4C[C@H]23)c1 ZINC000486693477 502234014 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CCOC(=O)c1ccc(NC(=O)c2ccnc(OC3CCC3)c2)c([O-])c1 ZINC000486802133 502267845 /nfs/dbraw/zinc/26/78/45/502267845.db2.gz FAGSSHDALDNPFQ-UHFFFAOYSA-N -1 3 356.378 3.148 20 0 FGADHM CCOC(=O)c1ccc(NC(=O)C2(c3cccnc3)CCCC2)c([O-])c1 ZINC000486800993 502268078 /nfs/dbraw/zinc/26/80/78/502268078.db2.gz KFCXYCAKXCYQMS-UHFFFAOYSA-N -1 3 354.406 3.414 20 0 FGADHM COc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCO[C@H](C(C)(C)C)C2)c1 ZINC000479491248 502275241 /nfs/dbraw/zinc/27/52/41/502275241.db2.gz WQKXJPMPLVYBAL-NHYWBVRUSA-N -1 3 361.891 3.221 20 0 FGADHM CCn1cnc(S(=O)(=O)[N-][C@@H](c2cccc(F)c2)C2CCCC2)c1 ZINC000465495739 502278552 /nfs/dbraw/zinc/27/85/52/502278552.db2.gz WZEUQPAIZJMQLM-QGZVFWFLSA-N -1 3 351.447 3.252 20 0 FGADHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C)c2Br)cn1 ZINC000469054760 502279847 /nfs/dbraw/zinc/27/98/47/502279847.db2.gz VQBXFVGBLNYWEM-UHFFFAOYSA-N -1 3 371.256 3.352 20 0 FGADHM COC[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)c1ccccc1 ZINC000462061998 502290638 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CC[C@H](c1nnc([N-]C(=O)c2cc(OC)n(C)n2)s1)c1ccccc1 ZINC000476507909 502508246 /nfs/dbraw/zinc/50/82/46/502508246.db2.gz NAXPOOPLYKSOQB-LBPRGKRZSA-N -1 3 357.439 3.074 20 0 FGADHM C[C@H](CN1CCOCC1)N(Cc1ccccc1)Cc1cc([O-])cc(F)c1 ZINC000473130571 502524196 /nfs/dbraw/zinc/52/41/96/502524196.db2.gz CAQYUHDVNDXMON-QGZVFWFLSA-N -1 3 358.457 3.254 20 0 FGADHM CS(=O)(=O)c1cccc(Cl)c1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000476564990 502527346 /nfs/dbraw/zinc/52/73/46/502527346.db2.gz NKFHLBVZUCAQKN-UHFFFAOYSA-N -1 3 360.218 3.355 20 0 FGADHM CCOc1nc2cc(C(=O)NC[C@@H](C[C@@H](C)O)c3ccccc3)ccc2[n-]1 ZINC000469744667 502528584 /nfs/dbraw/zinc/52/85/84/502528584.db2.gz LUWMLRHXWAQYEU-RHSMWYFYSA-N -1 3 367.449 3.246 20 0 FGADHM CCOc1nc2ccc(C(=O)NC[C@@H](C[C@@H](C)O)c3ccccc3)cc2[n-]1 ZINC000469744667 502528589 /nfs/dbraw/zinc/52/85/89/502528589.db2.gz LUWMLRHXWAQYEU-RHSMWYFYSA-N -1 3 367.449 3.246 20 0 FGADHM FC(F)(F)c1nnc(CNc2ncnc3sc4c(c32)CCCC4)[n-]1 ZINC000480323386 502537740 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COC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000469800554 502550008 /nfs/dbraw/zinc/55/00/08/502550008.db2.gz NIFJDMIHYPXVSN-HNNXBMFYSA-N -1 3 373.424 3.444 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-]Cc1c(C)c2ccccc2n1C ZINC000480394569 502556925 /nfs/dbraw/zinc/55/69/25/502556925.db2.gz PBFMVFWVDIKKNO-UHFFFAOYSA-N -1 3 350.465 3.035 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]CC2(C(F)F)CC2)c(Cl)c1Cl ZINC000480429407 502566811 /nfs/dbraw/zinc/56/68/11/502566811.db2.gz XUBNCCKGMWCDDG-UHFFFAOYSA-N -1 3 360.209 3.326 20 0 FGADHM CS[C@@H]1CCCCN(C(=O)Cc2ccc(Br)cc2[O-])C1 ZINC000484137628 502579950 /nfs/dbraw/zinc/57/99/50/502579950.db2.gz VPXNXDMGNLPJNV-CYBMUJFWSA-N -1 3 358.301 3.441 20 0 FGADHM CCN(Cc1ccc(C(=O)N=c2ccc(C(F)(F)F)n[n-]2)cc1)C1CC1 ZINC000484151510 502585194 /nfs/dbraw/zinc/58/51/94/502585194.db2.gz HIFJAQGGLAHKDP-UHFFFAOYSA-N -1 3 364.371 3.154 20 0 FGADHM COc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)CCO2 ZINC000466531456 502598913 /nfs/dbraw/zinc/59/89/13/502598913.db2.gz YLKFKVGPQOFQCF-AWEZNQCLSA-N -1 3 371.817 3.290 20 0 FGADHM O=S(=O)(Cc1ccc(F)c(Cl)c1)[N-][C@H]1COc2ccc(F)cc21 ZINC000466544117 502602187 /nfs/dbraw/zinc/60/21/87/502602187.db2.gz NGXLNZITRQVQPX-AWEZNQCLSA-N -1 3 359.781 3.171 20 0 FGADHM CCOC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(C)ccc2F)c1 ZINC000473501299 502612226 /nfs/dbraw/zinc/61/22/26/502612226.db2.gz BQWXAPBVHWIYKY-UHFFFAOYSA-N -1 3 351.399 3.420 20 0 FGADHM CCN(CC)[C@H](C)C[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000480599682 502617113 /nfs/dbraw/zinc/61/71/13/502617113.db2.gz CGLPOULCOUDKNQ-SNVBAGLBSA-N -1 3 372.840 3.367 20 0 FGADHM COCCC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1sc(C)nc1C ZINC000480609643 502620224 /nfs/dbraw/zinc/62/02/24/502620224.db2.gz HZSDXHGHTVLASK-MRXNPFEDSA-N -1 3 368.524 3.076 20 0 FGADHM O=C(Cc1ccc2n[nH]cc2c1)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000476921698 502622179 /nfs/dbraw/zinc/62/21/79/502622179.db2.gz HJUTYFRPONZJPT-UHFFFAOYSA-N -1 3 351.284 3.348 20 0 FGADHM CCN(CC)[C@H](C)C[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000480625127 502626199 /nfs/dbraw/zinc/62/61/99/502626199.db2.gz NFDDCHTXYHQPRR-LLVKDONJSA-N -1 3 353.315 3.310 20 0 FGADHM C[C@@H]1[C@@H](C(=O)Nc2n[n-]c(-c3ccccc3F)n2)CCN1c1ccccc1 ZINC000476961667 502634202 /nfs/dbraw/zinc/63/42/02/502634202.db2.gz RLLJQPMIHRQLKK-HIFRSBDPSA-N -1 3 365.412 3.464 20 0 FGADHM COc1ccc(S(=O)(=O)[N-][C@H](C)[C@@H](OC)c2ccccc2F)c(F)c1 ZINC000480687432 502643088 /nfs/dbraw/zinc/64/30/88/502643088.db2.gz HFGZAHJMDBICHD-PIGZYNQJSA-N -1 3 371.405 3.028 20 0 FGADHM Cn1nccc1CCC(=O)N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1 ZINC000476993325 502645828 /nfs/dbraw/zinc/64/58/28/502645828.db2.gz HOGUXWMMFWDGQW-UHFFFAOYSA-N -1 3 364.236 3.110 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]Cc2ccc(F)cc2CSC)c(F)c1 ZINC000480733664 502655907 /nfs/dbraw/zinc/65/59/07/502655907.db2.gz BFMPGDQBFFWYLM-UHFFFAOYSA-N -1 3 373.446 3.315 20 0 FGADHM COC(=O)c1csc(S(=O)(=O)[N-][C@@H](C)c2cc3ccccc3o2)c1 ZINC000466735961 502658401 /nfs/dbraw/zinc/65/84/01/502658401.db2.gz SGBJVERDVRXLAP-JTQLQIEISA-N -1 3 365.432 3.320 20 0 FGADHM CO[C@H](C[N-]S(=O)(=O)c1cc(Br)ccc1Cl)C(C)C ZINC000466873874 502709065 /nfs/dbraw/zinc/70/90/65/502709065.db2.gz SPRPGYPTJVIDAH-LLVKDONJSA-N -1 3 370.696 3.052 20 0 FGADHM O=C(NCc1ncccc1[O-])c1cc2c(cc(Br)cc2F)[nH]1 ZINC000473639371 502663195 /nfs/dbraw/zinc/66/31/95/502663195.db2.gz HWIKTDFXTOTRQX-UHFFFAOYSA-N -1 3 364.174 3.100 20 0 FGADHM Cc1nc(COc2ccc(F)cc2)sc1C(=O)NCc1ncccc1[O-] ZINC000473638312 502663857 /nfs/dbraw/zinc/66/38/57/502663857.db2.gz FEVOJCBDRJQFPX-UHFFFAOYSA-N -1 3 373.409 3.200 20 0 FGADHM O=S(=O)([N-]c1ccc(F)c(-c2nnc[nH]2)c1)c1ccc2c(c1)CCCC2 ZINC000470237765 502712326 /nfs/dbraw/zinc/71/23/26/502712326.db2.gz RTKTWOXCLYZCGD-UHFFFAOYSA-N -1 3 372.425 3.290 20 0 FGADHM O=S(=O)([N-]c1ccc(F)c(-c2nc[nH]n2)c1)c1ccc2c(c1)CCCC2 ZINC000470237765 502712332 /nfs/dbraw/zinc/71/23/32/502712332.db2.gz RTKTWOXCLYZCGD-UHFFFAOYSA-N -1 3 372.425 3.290 20 0 FGADHM O=S(=O)([N-]Cc1noc2ccccc21)c1ccccc1C(F)(F)F ZINC000470239377 502712997 /nfs/dbraw/zinc/71/29/97/502712997.db2.gz MAKQGJVPOMONDL-UHFFFAOYSA-N -1 3 356.325 3.325 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(-c3nc[nH]n3)c2)c(Cl)c1 ZINC000470241665 502714087 /nfs/dbraw/zinc/71/40/87/502714087.db2.gz LHERIBXADNTBNC-UHFFFAOYSA-N -1 3 366.805 3.373 20 0 FGADHM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cc(-c2nc[nH]n2)ccc1F ZINC000470254061 502717553 /nfs/dbraw/zinc/71/75/53/502717553.db2.gz ICLAFVLELGOPJU-UHFFFAOYSA-N -1 3 366.805 3.373 20 0 FGADHM COCc1nocc1C(=O)[N-]c1nc2c(cccc2Br)s1 ZINC000488473028 502724410 /nfs/dbraw/zinc/72/44/10/502724410.db2.gz ZMFIJXGGHAGWPQ-UHFFFAOYSA-N -1 3 368.212 3.446 20 0 FGADHM Cc1cc(C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)nn1-c1ccccc1Cl ZINC000473853871 502726011 /nfs/dbraw/zinc/72/60/11/502726011.db2.gz FAROFYXDBNGBSI-INIZCTEOSA-N -1 3 371.828 3.083 20 0 FGADHM Cc1coc(-c2cccc(NC(=O)NCc3nnc(C(F)(F)F)[n-]3)c2)n1 ZINC000481007404 502726197 /nfs/dbraw/zinc/72/61/97/502726197.db2.gz PWCKFAMLSCGZPO-UHFFFAOYSA-N -1 3 366.303 3.109 20 0 FGADHM Cc1coc(-c2cccc(NC(=O)NCc3n[n-]c(C(F)(F)F)n3)c2)n1 ZINC000481007404 502726201 /nfs/dbraw/zinc/72/62/01/502726201.db2.gz PWCKFAMLSCGZPO-UHFFFAOYSA-N -1 3 366.303 3.109 20 0 FGADHM Cc1coc(-c2cccc(NC(=O)NCc3nc(C(F)(F)F)n[n-]3)c2)n1 ZINC000481007404 502726206 /nfs/dbraw/zinc/72/62/06/502726206.db2.gz PWCKFAMLSCGZPO-UHFFFAOYSA-N -1 3 366.303 3.109 20 0 FGADHM COc1ccc(S(=O)(=O)[N-][C@@H](C)c2cc(F)ccc2OC)c(F)c1 ZINC000481050701 502741055 /nfs/dbraw/zinc/74/10/55/502741055.db2.gz XBVRJMSBVRRUMH-JTQLQIEISA-N -1 3 357.378 3.022 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]CCCCOCc2ccccc2)c(F)c1 ZINC000481058252 502743414 /nfs/dbraw/zinc/74/34/14/502743414.db2.gz VYAHMCBLJLAZRH-UHFFFAOYSA-N -1 3 367.442 3.110 20 0 FGADHM Cc1cc(=O)[n-]c([C@H](C)Sc2nnc([C@H]3COc4ccccc4O3)o2)n1 ZINC000488543338 502745097 /nfs/dbraw/zinc/74/50/97/502745097.db2.gz JLYGFOQHGAZWEN-GXFFZTMASA-N -1 3 372.406 3.239 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]Cc2ccccc2-n2cccn2)sc1Cl ZINC000473922260 502751276 /nfs/dbraw/zinc/75/12/76/502751276.db2.gz YOAIQGIBRYECFB-UHFFFAOYSA-N -1 3 367.883 3.374 20 0 FGADHM CCC(CC)NC(=O)c1sccc1S(=O)(=O)[N-]Cc1cccs1 ZINC000467006504 502756524 /nfs/dbraw/zinc/75/65/24/502756524.db2.gz ONMANLFHXOUSSG-UHFFFAOYSA-N -1 3 372.537 3.207 20 0 FGADHM CCOC(=O)C1CCC(NC(=O)c2cc([O-])cc(Br)c2)CC1 ZINC000599126819 506332887 /nfs/dbraw/zinc/33/28/87/506332887.db2.gz AERSGMHJGLPOBM-UHFFFAOYSA-N -1 3 370.243 3.006 20 0 FGADHM COc1ccc(Br)c(S(=O)(=O)[N-][C@H]2CCCC[C@H]2C)c1 ZINC000474031465 502785049 /nfs/dbraw/zinc/78/50/49/502785049.db2.gz INTDGOKQEVORCI-MFKMUULPSA-N -1 3 362.289 3.315 20 0 FGADHM COc1nc(C(=O)[N-]c2nnc(CC(F)(F)F)s2)cc2ccccc21 ZINC000484977933 502791410 /nfs/dbraw/zinc/79/14/10/502791410.db2.gz QFJDPGLHPGZYFR-UHFFFAOYSA-N -1 3 368.340 3.452 20 0 FGADHM Cc1cc([N-]C(=O)[C@H](C)N(C)Cc2ccc(F)cc2Br)on1 ZINC000485005665 502797854 /nfs/dbraw/zinc/79/78/54/502797854.db2.gz ADBWIGFPHSHHKA-JTQLQIEISA-N -1 3 370.222 3.344 20 0 FGADHM CCn1cnc(S(=O)(=O)[N-][C@@H](C)Cc2ccc(Cl)cc2Cl)c1 ZINC000474074791 502799701 /nfs/dbraw/zinc/79/97/01/502799701.db2.gz RJEIIZSJVDNMKH-JTQLQIEISA-N -1 3 362.282 3.119 20 0 FGADHM O=C(Nc1nnc(-c2cc3ccccc3o2)[n-]1)c1cnc2ccccc2n1 ZINC000485115874 502816805 /nfs/dbraw/zinc/81/68/05/502816805.db2.gz AOSHYSNPMRPVMB-UHFFFAOYSA-N -1 3 356.345 3.413 20 0 FGADHM O=C(Nc1nc(-c2cc3ccccc3o2)n[n-]1)c1cnc2ccccc2n1 ZINC000485115874 502816807 /nfs/dbraw/zinc/81/68/07/502816807.db2.gz AOSHYSNPMRPVMB-UHFFFAOYSA-N -1 3 356.345 3.413 20 0 FGADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)c1cnc2ccccc2n1 ZINC000485115874 502816808 /nfs/dbraw/zinc/81/68/08/502816808.db2.gz AOSHYSNPMRPVMB-UHFFFAOYSA-N -1 3 356.345 3.413 20 0 FGADHM COc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2C(C)C)cc1OC ZINC000488820910 502818592 /nfs/dbraw/zinc/81/85/92/502818592.db2.gz DOZHGFOJHLFFTL-GXTWGEPZSA-N -1 3 359.463 3.336 20 0 FGADHM COC(=O)c1cc([N-]S(=O)(=O)c2cccc(SC)c2)c(F)cc1F ZINC000509094719 502819463 /nfs/dbraw/zinc/81/94/63/502819463.db2.gz BTTXVFPQKRNDSM-UHFFFAOYSA-N -1 3 373.402 3.274 20 0 FGADHM CCc1ncnc(CC)c1C(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000504896773 502819842 /nfs/dbraw/zinc/81/98/42/502819842.db2.gz ZWGMTQYEFZBGCC-UHFFFAOYSA-N -1 3 355.316 3.458 20 0 FGADHM Cc1ccc([C@H](C)[C@H](O)C(=O)N=c2cc(-c3cc(F)cc(F)c3)[n-][nH]2)cc1 ZINC000495383835 502832648 /nfs/dbraw/zinc/83/26/48/502832648.db2.gz LZXHVTSPDZIZDQ-BUXKBTBVSA-N -1 3 371.387 3.188 20 0 FGADHM C[C@H]1CCCN(C(C)(C)C[N-]S(=O)(=O)c2cc(F)ccc2Cl)C1 ZINC000488945178 502843508 /nfs/dbraw/zinc/84/35/08/502843508.db2.gz UAQXILKDUHCHBM-LBPRGKRZSA-N -1 3 362.898 3.268 20 0 FGADHM COC[C@@H]1CCCN(C(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)C1 ZINC000500708318 502844587 /nfs/dbraw/zinc/84/45/87/502844587.db2.gz GQYBDCWBHFSJIM-CQSZACIVSA-N -1 3 356.426 3.048 20 0 FGADHM COC(=O)[C@@H]1CCCCCC[C@H]1NC(=O)Cc1ccc([O-])cc1Cl ZINC000509238967 502856746 /nfs/dbraw/zinc/85/67/46/502856746.db2.gz KSICCMCFQYGJEP-GDBMZVCRSA-N -1 3 353.846 3.216 20 0 FGADHM CN(Cc1nccn1CC(F)(F)F)C(=O)Cc1ccc([O-])cc1Cl ZINC000509336133 502877656 /nfs/dbraw/zinc/87/76/56/502877656.db2.gz VCKQXLOCBVOXSA-UHFFFAOYSA-N -1 3 361.751 3.006 20 0 FGADHM Cc1ccc(F)c(S(=O)(=O)[N-]Cc2ccsc2Br)c1 ZINC000509335725 502877663 /nfs/dbraw/zinc/87/76/63/502877663.db2.gz GUIVQNMJKFKGCT-UHFFFAOYSA-N -1 3 364.261 3.437 20 0 FGADHM CN(C)C(=O)c1ccc(Cl)c([N-]C(=O)c2nc3cccnc3s2)c1 ZINC000513300169 502899247 /nfs/dbraw/zinc/89/92/47/502899247.db2.gz GQBLHFKRTVYLGP-UHFFFAOYSA-N -1 3 360.826 3.299 20 0 FGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)COc2ccsc2Cl)c1 ZINC000513321375 502904458 /nfs/dbraw/zinc/90/44/58/502904458.db2.gz TXOZRSAFMUQENA-UHFFFAOYSA-N -1 3 374.871 3.099 20 0 FGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)c2ncccc12 ZINC000513328004 502906274 /nfs/dbraw/zinc/90/62/74/502906274.db2.gz RDEGFOFACYYIQP-UHFFFAOYSA-N -1 3 350.769 3.321 20 0 FGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)c2ncccc12 ZINC000513328004 502906279 /nfs/dbraw/zinc/90/62/79/502906279.db2.gz RDEGFOFACYYIQP-UHFFFAOYSA-N -1 3 350.769 3.321 20 0 FGADHM COc1ccc(CN[C@H](CO)CC2CCCC2)c(Br)c1[O-] ZINC000509454734 502907770 /nfs/dbraw/zinc/90/77/70/502907770.db2.gz OLRJTVYPYVCBHF-ZDUSSCGKSA-N -1 3 358.276 3.194 20 0 FGADHM C[C@@H]1[C@@H](C)CN1C(=O)c1sccc1S(=O)(=O)[N-]C1CCCCCC1 ZINC000509557262 502934356 /nfs/dbraw/zinc/93/43/56/502934356.db2.gz OKDGBGPFKQIBDK-QWHCGFSZSA-N -1 3 370.540 3.230 20 0 FGADHM CC(C)n1cnc(S(=O)(=O)[N-]CCn2ccc3cc(Cl)ccc32)c1 ZINC000509578573 502939831 /nfs/dbraw/zinc/93/98/31/502939831.db2.gz IHOZPUVBBIOPNA-UHFFFAOYSA-N -1 3 366.874 3.051 20 0 FGADHM Cc1ccn2ncc(C(=O)NCc3ccc([O-])c(Br)c3)c2c1 ZINC000501176056 502953879 /nfs/dbraw/zinc/95/38/79/502953879.db2.gz GDOQONISKQINNR-UHFFFAOYSA-N -1 3 360.211 3.041 20 0 FGADHM Cc1c(NCc2c(F)ccc([O-])c2F)cccc1N1C(=O)CCNC1=O ZINC000513521956 502958539 /nfs/dbraw/zinc/95/85/39/502958539.db2.gz VEQFUATXBILLCY-UHFFFAOYSA-N -1 3 361.348 3.037 20 0 FGADHM Cc1ccccc1C[C@H]1CCCN1C(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000513561487 502965680 /nfs/dbraw/zinc/96/56/80/502965680.db2.gz 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503015690 /nfs/dbraw/zinc/01/56/90/503015690.db2.gz ORGRPORPTTXISH-OAHLLOKOSA-N -1 3 367.449 3.158 20 0 FGADHM O=S(=O)([N-][C@@H]1CCC[C@H]1OC(F)F)c1ccc(Cl)c(Cl)c1 ZINC000501473483 503016220 /nfs/dbraw/zinc/01/62/20/503016220.db2.gz OAEYDZCDOMXTLL-GHMZBOCLSA-N -1 3 360.209 3.432 20 0 FGADHM CC(C)n1cnc(S(=O)(=O)[N-]CCCCOc2ccc(Cl)cc2)c1 ZINC000513793857 503024067 /nfs/dbraw/zinc/02/40/67/503024067.db2.gz GMCJEWXDTKANAV-UHFFFAOYSA-N -1 3 371.890 3.255 20 0 FGADHM CCSc1ccc([C@@H](C)[N-]S(=O)(=O)c2cc(C(=O)OC)co2)cc1 ZINC000513798168 503024973 /nfs/dbraw/zinc/02/49/73/503024973.db2.gz VSRLOLZDDDJRRV-LLVKDONJSA-N -1 3 369.464 3.218 20 0 FGADHM O=C(NC[C@@H](c1ccccc1)C(F)(F)F)c1cc(F)cc2nn[n-]c21 ZINC000506015620 503030063 /nfs/dbraw/zinc/03/00/63/503030063.db2.gz WEDWLVXWZKHRDP-LBPRGKRZSA-N -1 3 352.291 3.173 20 0 FGADHM O=C(NC[C@@H](c1ccccc1)C(F)(F)F)c1cc(F)cc2[n-]nnc21 ZINC000506015620 503030066 /nfs/dbraw/zinc/03/00/66/503030066.db2.gz WEDWLVXWZKHRDP-LBPRGKRZSA-N -1 3 352.291 3.173 20 0 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COC(=O)c1cc(S(=O)(=O)[N-]c2cc(C)c(F)cc2Cl)c(C)o1 ZINC000507563012 503323580 /nfs/dbraw/zinc/32/35/80/503323580.db2.gz GMJKRMCMLUJNKV-UHFFFAOYSA-N -1 3 361.778 3.276 20 0 FGADHM CC[C@@H](COC)[N-]S(=O)(=O)c1cc(Cl)ccc1OCCC1CC1 ZINC000491607219 503323644 /nfs/dbraw/zinc/32/36/44/503323644.db2.gz MOUNXDYTYUSZLC-AWEZNQCLSA-N -1 3 361.891 3.222 20 0 FGADHM Cc1cc(C)c(-c2cc(=NC(=O)[C@H](C)NC(=O)C3CCCC3)[nH][n-]2)cc1C ZINC000511518151 503335705 /nfs/dbraw/zinc/33/57/05/503335705.db2.gz RXIADMTYMIXRNZ-HNNXBMFYSA-N -1 3 368.481 3.057 20 0 FGADHM [O-]c1ccc(F)c(CNCCC2CCN(CC(F)(F)F)CC2)c1F ZINC000511543278 503340616 /nfs/dbraw/zinc/34/06/16/503340616.db2.gz RTEIUKGLXYAOLT-UHFFFAOYSA-N -1 3 352.347 3.424 20 0 FGADHM [O-]c1cc(F)cc(CN[C@H](CO)c2ccc(Br)c(F)c2)c1 ZINC000492257449 503361167 /nfs/dbraw/zinc/36/11/67/503361167.db2.gz KDBYDMKVGGLOCK-OAHLLOKOSA-N -1 3 358.182 3.256 20 0 FGADHM CCN(CC)C(=O)CCCC(=O)N=c1cc(-c2cc(C)c(C)cc2C)[n-][nH]1 ZINC000503186083 503362989 /nfs/dbraw/zinc/36/29/89/503362989.db2.gz YVNAEVJVTIDWPH-UHFFFAOYSA-N -1 3 370.497 3.401 20 0 FGADHM COc1ccc(-n2c([N-]C(=O)C(=O)c3cccn3C)nc3ccccc32)cc1 ZINC000499246256 503363984 /nfs/dbraw/zinc/36/39/84/503363984.db2.gz CRQFILOPUXGXSQ-UHFFFAOYSA-N -1 3 374.400 3.194 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)COc3ccc(Cl)cc3C)[n-]c21 ZINC000507793979 503367221 /nfs/dbraw/zinc/36/72/21/503367221.db2.gz XVEQYUZQAZRJHF-UHFFFAOYSA-N -1 3 373.796 3.329 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)COc3ccc(Cl)cc3C)nc21 ZINC000507793979 503367224 /nfs/dbraw/zinc/36/72/24/503367224.db2.gz XVEQYUZQAZRJHF-UHFFFAOYSA-N -1 3 373.796 3.329 20 0 FGADHM Cc1cc([N-]S(=O)(=O)c2ccc(Br)cc2)cc2[nH]ncc21 ZINC000499265543 503368447 /nfs/dbraw/zinc/36/84/47/503368447.db2.gz KHORCTQFXXVOCB-UHFFFAOYSA-N -1 3 366.240 3.435 20 0 FGADHM Cc1cc([N-]S(=O)(=O)c2ccccc2OC(F)F)cc2[nH]ncc21 ZINC000499266069 503369113 /nfs/dbraw/zinc/36/91/13/503369113.db2.gz MCHPKDRFFDNLBI-UHFFFAOYSA-N -1 3 353.350 3.274 20 0 FGADHM Cc1cc([N-]S(=O)(=O)c2cccc(Br)c2)cc2[nH]ncc21 ZINC000499266109 503369757 /nfs/dbraw/zinc/36/97/57/503369757.db2.gz MNSSTEOOPUGUSK-UHFFFAOYSA-N -1 3 366.240 3.435 20 0 FGADHM O=C(NC1CC1)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2F)c1 ZINC000515626390 503375605 /nfs/dbraw/zinc/37/56/05/503375605.db2.gz CPIYTHBNKVGKHO-UHFFFAOYSA-N -1 3 368.817 3.172 20 0 FGADHM Cc1ccc(C(=O)NC2CCN(Cc3c(F)ccc([O-])c3F)CC2)s1 ZINC000507907864 503392797 /nfs/dbraw/zinc/39/27/97/503392797.db2.gz IGBSVZQIACTOLP-UHFFFAOYSA-N -1 3 366.433 3.435 20 0 FGADHM CC(C)c1cc(NC(=O)NCc2ncccc2[O-])n(-c2ccccc2)n1 ZINC000582695198 506369560 /nfs/dbraw/zinc/36/95/60/506369560.db2.gz CDVDMFZXUSVNPQ-UHFFFAOYSA-N -1 3 351.410 3.418 20 0 FGADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-]CC1CCCC1 ZINC000503438169 503409854 /nfs/dbraw/zinc/40/98/54/503409854.db2.gz SOOUIKKDCMYRAS-UHFFFAOYSA-N -1 3 366.252 3.065 20 0 FGADHM CC(=O)N(C)c1cccc(NC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)c1 ZINC000499522376 503424162 /nfs/dbraw/zinc/42/41/62/503424162.db2.gz YJSZSNLKUGIURH-UHFFFAOYSA-N -1 3 371.343 3.041 20 0 FGADHM CC(=O)N(C)c1cccc(NC(=O)c2cnc3c(F)cc(F)cc3c2[O-])c1 ZINC000499522376 503424166 /nfs/dbraw/zinc/42/41/66/503424166.db2.gz YJSZSNLKUGIURH-UHFFFAOYSA-N -1 3 371.343 3.041 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-][C@@H](c2c[nH]c3ccccc32)C(F)(F)F)cn1 ZINC000508096602 503430049 /nfs/dbraw/zinc/43/00/49/503430049.db2.gz RTJHDIAPOMNIGP-HNNXBMFYSA-N -1 3 369.368 3.453 20 0 FGADHM CN(C)Cc1ccc(NC(=O)c2nn(-c3ccc(F)cc3)cc2[O-])cc1 ZINC000499584837 503437570 /nfs/dbraw/zinc/43/75/70/503437570.db2.gz JZYOZAGBIRHIBU-UHFFFAOYSA-N -1 3 354.385 3.031 20 0 FGADHM Cc1cc(C(=O)N2CCC(C(=O)N3CCc4ccccc43)CC2)ccc1[O-] ZINC000499630015 503446598 /nfs/dbraw/zinc/44/65/98/503446598.db2.gz GGCKZPNVFLIGNL-UHFFFAOYSA-N -1 3 364.445 3.142 20 0 FGADHM CCC(=O)[C@@H]1CCCCN1C(=O)Cc1ccc(Br)cc1[O-] ZINC000493997958 503472527 /nfs/dbraw/zinc/47/25/27/503472527.db2.gz CMUFASAVVBSPBS-ZDUSSCGKSA-N -1 3 354.244 3.057 20 0 FGADHM CS(=O)(=O)[N-]c1cc(NC(=O)c2ccc3ncsc3c2)ccc1F 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3.331 20 0 FGADHM Cc1nnc([N-]C(=O)c2cnc(Sc3nccn3C)c(Cl)c2)s1 ZINC000508512423 503509028 /nfs/dbraw/zinc/50/90/28/503509028.db2.gz OYXRGOLAHFILRT-UHFFFAOYSA-N -1 3 366.859 3.032 20 0 FGADHM Cc1ccccc1-c1cc(=NC(=O)c2cnc3c(cnn3CC(C)C)c2)[nH][n-]1 ZINC000512325560 503520367 /nfs/dbraw/zinc/52/03/67/503520367.db2.gz LOSXNMWHQOVPAD-UHFFFAOYSA-N -1 3 374.448 3.460 20 0 FGADHM Cc1ccc2[n-]cc(C(=O)N[C@H](C)c3ccc([S@@](C)=O)cc3)c(=O)c2c1 ZINC000516500241 503522146 /nfs/dbraw/zinc/52/21/46/503522146.db2.gz QPAASXDBRPTIFJ-ZBSNKRKSSA-N -1 3 368.458 3.065 20 0 FGADHM Cc1cc(C(=O)NCc2ccc(NC(=O)c3ccncc3)cc2)ccc1[O-] ZINC000499962077 503522853 /nfs/dbraw/zinc/52/28/53/503522853.db2.gz YIGGCNWOMYBIDO-UHFFFAOYSA-N -1 3 361.401 3.278 20 0 FGADHM Cc1c(NC(=O)c2ccc3n[n-]nc3c2)cnn1-c1ccc(Cl)cc1 ZINC000516519308 503526115 /nfs/dbraw/zinc/52/61/15/503526115.db2.gz KVHDEWYCCGUGPP-UHFFFAOYSA-N -1 3 352.785 3.358 20 0 FGADHM Cc1nc(C[C@@H]2CCCN(c3c(C(=O)[O-])cnc4ccccc43)C2)no1 ZINC000516572465 503539825 /nfs/dbraw/zinc/53/98/25/503539825.db2.gz ILXYUKFRVZRJEZ-ZDUSSCGKSA-N -1 3 352.394 3.084 20 0 FGADHM O=S(=O)([N-]CCc1nccs1)c1cc(Cl)ccc1C(F)(F)F ZINC000508726898 503552064 /nfs/dbraw/zinc/55/20/64/503552064.db2.gz MFJOSXMQKPNCSP-UHFFFAOYSA-N -1 3 370.805 3.336 20 0 FGADHM CC[C@@H](CC(=O)Nc1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1)c1ccccc1 ZINC000504329950 503557169 /nfs/dbraw/zinc/55/71/69/503557169.db2.gz WMJFYRYLONGSHY-LHSJRXKWSA-N -1 3 365.433 3.264 20 0 FGADHM Cc1cccc([C@@H](NC(=O)Cc2c(C)nc(C)[n-]c2=O)C(F)(F)F)c1 ZINC000512488534 503568641 /nfs/dbraw/zinc/56/86/41/503568641.db2.gz JNGOEUVQKHDXKH-OAHLLOKOSA-N -1 3 353.344 3.070 20 0 FGADHM Cc1cc(C)cc(-c2cc(=NC(=O)c3cccc(C[S@](C)=O)c3)[nH][n-]2)c1 ZINC000512544053 503580408 /nfs/dbraw/zinc/58/04/08/503580408.db2.gz DGYKOJFVEWVOAK-SANMLTNESA-N -1 3 367.474 3.246 20 0 FGADHM CCOC(=O)[C@H](Cc1ccccc1)N(C)C(=O)c1cc([O-])ccc1Cl ZINC000516793586 503588971 /nfs/dbraw/zinc/58/89/71/503588971.db2.gz YRYYLMSWHLASRI-KRWDZBQOSA-N -1 3 361.825 3.292 20 0 FGADHM CCC[C@@H]1CCc2nc([N-]C(=O)c3nc4nccc(C)n4n3)sc2C1 ZINC000500291337 503597086 /nfs/dbraw/zinc/59/70/86/503597086.db2.gz PXYRYVBQNMOYGX-LLVKDONJSA-N -1 3 356.455 3.047 20 0 FGADHM Cc1cc(C(=O)NC[C@@H](CO)Cc2ccccc2C(F)(F)F)ccc1[O-] ZINC000500305649 503599331 /nfs/dbraw/zinc/59/93/31/503599331.db2.gz PXBFRRLLSWYANE-ZDUSSCGKSA-N -1 3 367.367 3.300 20 0 FGADHM COc1ccc([O-])c(C(=O)N[C@@]2(Cc3ccc(Cl)cc3)CCOC2)c1 ZINC000500323820 503603141 /nfs/dbraw/zinc/60/31/41/503603141.db2.gz RDQIJAPHRVBCDB-LJQANCHMSA-N -1 3 361.825 3.186 20 0 FGADHM [O-]c1ccc(F)c(CN2CCC(O)(Cc3ccc(F)cc3)CC2)c1F ZINC000512658115 503605743 /nfs/dbraw/zinc/60/57/43/503605743.db2.gz NXHVEMJWMDVXRO-UHFFFAOYSA-N -1 3 351.368 3.379 20 0 FGADHM O=C(N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1)c1cccc([O-])c1 ZINC000508959347 503607804 /nfs/dbraw/zinc/60/78/04/503607804.db2.gz IMUIUTBSKKQYLI-ZDUSSCGKSA-N -1 3 366.339 3.300 20 0 FGADHM CCc1cccc(-c2nc(CC(=O)NCc3cccc(C)c3)no2)c1[O-] ZINC000516906239 503614426 /nfs/dbraw/zinc/61/44/26/503614426.db2.gz OPMAPDLJYIGQHE-UHFFFAOYSA-N -1 3 351.406 3.172 20 0 FGADHM C[C@H](c1ccccc1)N1CC[C@@H]([N-]S(=O)(=O)c2cc(F)cc(F)c2)C1 ZINC000512708816 503617599 /nfs/dbraw/zinc/61/75/99/503617599.db2.gz WDUNKRDVIKSKIU-CXAGYDPISA-N -1 3 366.433 3.079 20 0 FGADHM O=S(=O)([N-]CCCOC1CCCC1)c1csc(-c2ccccc2)n1 ZINC000500431011 503622152 /nfs/dbraw/zinc/62/21/52/503622152.db2.gz WNURNUMXIJQTGM-UHFFFAOYSA-N -1 3 366.508 3.438 20 0 FGADHM Cc1sc2[n-]c(CN3C[C@H](O)[C@@H](C)C3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000509050282 503630106 /nfs/dbraw/zinc/63/01/06/503630106.db2.gz VQUHTUXIZQYNPD-WFASDCNBSA-N -1 3 369.490 3.493 20 0 FGADHM O=C([O-])c1cnccc1N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000516972936 503635377 /nfs/dbraw/zinc/63/53/77/503635377.db2.gz LXFQNEUHVTXTGV-OAHLLOKOSA-N -1 3 352.312 3.377 20 0 FGADHM Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N=c1cc(-c2ccncc2)[n-][nH]1 ZINC000588926470 506383240 /nfs/dbraw/zinc/38/32/40/506383240.db2.gz KMXSQGVJPGTIDF-LBPRGKRZSA-N -1 3 356.813 3.261 20 0 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CCc1c(C(=O)Nc2nnc(-c3c(F)cccc3F)[n-]2)cnn1CC(C)C ZINC000550427427 505040394 /nfs/dbraw/zinc/04/03/94/505040394.db2.gz PIEJKGMWOZAQDW-UHFFFAOYSA-N -1 3 374.395 3.417 20 0 FGADHM CCc1c(C(=O)Nc2nc(-c3c(F)cccc3F)n[n-]2)cnn1CC(C)C ZINC000550427427 505040397 /nfs/dbraw/zinc/04/03/97/505040397.db2.gz PIEJKGMWOZAQDW-UHFFFAOYSA-N -1 3 374.395 3.417 20 0 FGADHM CCc1c(C(=O)Nc2n[n-]c(-c3c(F)cccc3F)n2)cnn1CC(C)C ZINC000550427427 505040401 /nfs/dbraw/zinc/04/04/01/505040401.db2.gz PIEJKGMWOZAQDW-UHFFFAOYSA-N -1 3 374.395 3.417 20 0 FGADHM Cc1noc([C@H]2CCCCN2Cc2cc(=O)[n-]c(-c3ccccc3)n2)n1 ZINC000563105950 505049311 /nfs/dbraw/zinc/04/93/11/505049311.db2.gz SJYNKQGYUJNMJW-MRXNPFEDSA-N -1 3 351.410 3.268 20 0 FGADHM COC(=O)c1ccc(S(=O)(=O)[N-]C2(c3cccc(Cl)c3)CC2)s1 ZINC000566039944 505061530 /nfs/dbraw/zinc/06/15/30/505061530.db2.gz OCPTZQOWXBSURM-UHFFFAOYSA-N -1 3 371.867 3.156 20 0 FGADHM CC1(C)Cc2nc([N-]C(=O)c3cc(CN4CCCC4)on3)sc2C(=O)C1 ZINC000566043082 505063332 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CCOc1nc2ccc(C(=O)N3Cc4ccccc4O[C@@H](C)C3)cc2[n-]1 ZINC000554190137 505112776 /nfs/dbraw/zinc/11/27/76/505112776.db2.gz HHCMHLCIBKBVJH-ZDUSSCGKSA-N -1 3 351.406 3.385 20 0 FGADHM C[C@@H]1CCN(C(=O)c2ccnc(NC(=O)C3CC3)c2)c2c([O-])cccc21 ZINC000557399677 505125632 /nfs/dbraw/zinc/12/56/32/505125632.db2.gz WAJURRHSFJSEJI-GFCCVEGCSA-N -1 3 351.406 3.290 20 0 FGADHM CSC[C@H]1CCCN(C(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)C1 ZINC000554277303 505132614 /nfs/dbraw/zinc/13/26/14/505132614.db2.gz CCGVBPPZAKQZJE-JTQLQIEISA-N -1 3 352.406 3.022 20 0 FGADHM Cc1ccc([O-])c(CNc2ccc(C(=O)N3CCSCC3)cc2C)n1 ZINC000551084713 505153803 /nfs/dbraw/zinc/15/38/03/505153803.db2.gz ABNHYCSOHJQRHZ-UHFFFAOYSA-N -1 3 357.479 3.205 20 0 FGADHM O=C(Cc1c[nH]c2cccc(Br)c12)N=c1cc2ccccn2[n-]1 ZINC000557526890 505157293 /nfs/dbraw/zinc/15/72/93/505157293.db2.gz HAOYRFFFLCRCSH-UHFFFAOYSA-N -1 3 369.222 3.181 20 0 FGADHM Cc1ccc([O-])c(NC(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)n1 ZINC000560689405 505161525 /nfs/dbraw/zinc/16/15/25/505161525.db2.gz CIJZXVUAQSNNEY-HNNXBMFYSA-N -1 3 361.392 3.192 20 0 FGADHM Cc1nc(-c2ccc(NC(=O)N3CCC[C@H](CCO)CC3)cc2)cc(=O)[n-]1 ZINC000563527299 505166941 /nfs/dbraw/zinc/16/69/41/505166941.db2.gz QAJPZXNEKCCRNR-HNNXBMFYSA-N -1 3 370.453 3.174 20 0 FGADHM Cc1ccc(OC2CCN(C(=O)N=c3cc4ccccn4[n-]3)CC2)cc1C ZINC000554439834 505174193 /nfs/dbraw/zinc/17/41/93/505174193.db2.gz QYGOOFJEDBCBBP-UHFFFAOYSA-N -1 3 364.449 3.448 20 0 FGADHM O=C(N=c1cc2ccccn2[n-]1)N(CCCO)[C@H]1CCCc2ccccc21 ZINC000554441810 505175015 /nfs/dbraw/zinc/17/50/15/505175015.db2.gz PUNYZDTVXRXGLI-IBGZPJMESA-N -1 3 364.449 3.050 20 0 FGADHM O=C(CNC(=O)c1ccc([O-])cc1)N[C@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000560761088 505180454 /nfs/dbraw/zinc/18/04/54/505180454.db2.gz LOCLCKPMQYTGEH-WBVHZDCISA-N -1 3 372.852 3.228 20 0 FGADHM Cc1sc2nc(SCc3cc(=O)[n-]c(C4CC4)n3)n(C)c(=O)c2c1C ZINC000560779385 505184366 /nfs/dbraw/zinc/18/43/66/505184366.db2.gz RUGASAZLNXZLSZ-UHFFFAOYSA-N -1 3 374.491 3.277 20 0 FGADHM O=C(Cc1cncc([O-])c1)N1CCC[C@H](COc2ccccc2Cl)C1 ZINC000566469104 505184722 /nfs/dbraw/zinc/18/47/22/505184722.db2.gz FSHAGWJJLSDWMB-AWEZNQCLSA-N -1 3 360.841 3.301 20 0 FGADHM O=C(CCC(=O)N1CCc2sccc2C1)Nc1c([O-])cccc1Cl ZINC000560817855 505193205 /nfs/dbraw/zinc/19/32/05/505193205.db2.gz ABPNBWAAJNBLCB-UHFFFAOYSA-N -1 3 364.854 3.411 20 0 FGADHM O=C(CCCc1ccc([O-])c(F)c1)NCc1ccn(Cc2ccccc2)n1 ZINC000560820726 505193699 /nfs/dbraw/zinc/19/36/99/505193699.db2.gz NBYMZKBRPHJBHR-UHFFFAOYSA-N -1 3 367.424 3.415 20 0 FGADHM Cc1ccc2[n-]cc(C(=O)Nc3cccc(F)c3-c3nc[nH]n3)c(=O)c2c1 ZINC000557664332 505196648 /nfs/dbraw/zinc/19/66/48/505196648.db2.gz PZDQLRUELMEPMS-UHFFFAOYSA-N -1 3 363.352 3.013 20 0 FGADHM O=C(N=c1cc2ccccn2[n-]1)N[C@@H]1COc2c1ccc(Cl)c2Cl ZINC000554524998 505196789 /nfs/dbraw/zinc/19/67/89/505196789.db2.gz AMPKFOCLNPMRCV-GFCCVEGCSA-N -1 3 363.204 3.318 20 0 FGADHM COc1cccc([C@@H]2C[C@@H](C)CN2C(=O)N=c2cc3ccccn3[n-]2)c1 ZINC000554526892 505197818 /nfs/dbraw/zinc/19/78/18/505197818.db2.gz MSSSIESHYJZWCV-KDOFPFPSSA-N -1 3 350.422 3.380 20 0 FGADHM O=C(c1cc(OCc2ccccc2)ccc1[O-])N1CC[C@@H](O)C12CCCC2 ZINC000554551575 505205170 /nfs/dbraw/zinc/20/51/70/505205170.db2.gz BVYSRQHDBCVWGZ-HXUWFJFHSA-N -1 3 367.445 3.491 20 0 FGADHM CC(C)(C)c1ncc(C(=O)Nc2nnc(-c3c(F)cccc3F)[n-]2)cn1 ZINC000554580868 505212716 /nfs/dbraw/zinc/21/27/16/505212716.db2.gz DFDCUPWCCHZBBZ-UHFFFAOYSA-N -1 3 358.352 3.090 20 0 FGADHM CC(C)(C)c1ncc(C(=O)Nc2nc(-c3c(F)cccc3F)n[n-]2)cn1 ZINC000554580868 505212717 /nfs/dbraw/zinc/21/27/17/505212717.db2.gz DFDCUPWCCHZBBZ-UHFFFAOYSA-N -1 3 358.352 3.090 20 0 FGADHM CC(C)(C)c1ncc(C(=O)Nc2n[n-]c(-c3c(F)cccc3F)n2)cn1 ZINC000554580868 505212721 /nfs/dbraw/zinc/21/27/21/505212721.db2.gz DFDCUPWCCHZBBZ-UHFFFAOYSA-N -1 3 358.352 3.090 20 0 FGADHM O=C(Nc1ccc2nc(C(F)F)sc2c1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000563713478 505218397 /nfs/dbraw/zinc/21/83/97/505218397.db2.gz FCCKWRZJENAFPK-UHFFFAOYSA-N -1 3 373.340 3.370 20 0 FGADHM 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CC[C@@H]([N-]S(=O)(=O)c1ccc(CNC(C)=O)s1)C1CCCCC1 ZINC000585803077 507638145 /nfs/dbraw/zinc/63/81/45/507638145.db2.gz LFHWZTFHZUYREH-OAHLLOKOSA-N -1 3 358.529 3.021 20 0 FGADHM CC(C)CCCNC(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000607220846 507657838 /nfs/dbraw/zinc/65/78/38/507657838.db2.gz AEGQQDPTMBMEIE-UHFFFAOYSA-N -1 3 373.494 3.460 20 0 FGADHM CC(C)(CNC(=O)c1cccc(Br)c1[O-])N1CCCCC1 ZINC000592447696 507658960 /nfs/dbraw/zinc/65/89/60/507658960.db2.gz CCRRIIUGICILCY-UHFFFAOYSA-N -1 3 355.276 3.149 20 0 FGADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)CN(C)c2ccccc2)[nH][n-]1 ZINC000586760417 507661763 /nfs/dbraw/zinc/66/17/63/507661763.db2.gz JJLRJPZQSHTBLK-UHFFFAOYSA-N -1 3 370.840 3.236 20 0 FGADHM C[C@@H](CSCCNCc1ccc(F)cc1Br)C(=O)[O-] ZINC000592460831 507663868 /nfs/dbraw/zinc/66/38/68/507663868.db2.gz BHXIYWOHTVDEIG-VIFPVBQESA-N -1 3 350.253 3.132 20 0 FGADHM C[C@H](CSCCNCc1ccc(F)c(Br)c1)C(=O)[O-] ZINC000592462389 507665882 /nfs/dbraw/zinc/66/58/82/507665882.db2.gz 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O=C(NCCCc1cc(=O)[nH][n-]1)C1(Cc2cccc(F)c2)CCCCC1 ZINC000614914331 507693222 /nfs/dbraw/zinc/69/32/22/507693222.db2.gz KBBOTGINGBXPNM-UHFFFAOYSA-N -1 3 359.445 3.091 20 0 FGADHM Cc1ccc(SC2(C(=O)NCCCc3cc(=O)[nH][n-]3)CCCC2)cc1 ZINC000614921102 507694416 /nfs/dbraw/zinc/69/44/16/507694416.db2.gz CTTPNXNCNIAWJH-UHFFFAOYSA-N -1 3 359.495 3.172 20 0 FGADHM COC(=O)c1scc(C)c1[N-]C(=O)c1csc(-c2ncccn2)n1 ZINC000615004169 507718404 /nfs/dbraw/zinc/71/84/04/507718404.db2.gz NZSBNMYLANNVRG-UHFFFAOYSA-N -1 3 360.420 3.009 20 0 FGADHM O=C(N[C@@H]1c2ccccc2CC12CCOCC2)c1ccc2[nH][n-]c(=O)c2c1 ZINC000615041434 507729476 /nfs/dbraw/zinc/72/94/76/507729476.db2.gz CQRUWRSEBLJCFR-GOSISDBHSA-N -1 3 363.417 3.093 20 0 FGADHM COc1ccc([O-])c(C(=O)NCCOc2ccccc2C(F)(F)F)c1 ZINC000592628114 507737501 /nfs/dbraw/zinc/73/75/01/507737501.db2.gz DJAPDBRQJYWZJR-UHFFFAOYSA-N -1 3 355.312 3.228 20 0 FGADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N3CC4CC3(C)C4)nc(=O)c2c1C ZINC000595915874 507743394 /nfs/dbraw/zinc/74/33/94/507743394.db2.gz PVBVZSUJEJEAPC-IOBOVELCSA-N -1 3 361.467 3.015 20 0 FGADHM COC(=O)c1cc(Cl)cc(NC(=O)c2ccc(Br)o2)c1[O-] ZINC000588096785 507759460 /nfs/dbraw/zinc/75/94/60/507759460.db2.gz OFBZPZGGULDPQV-UHFFFAOYSA-N -1 3 374.574 3.440 20 0 FGADHM COC(=O)c1cc(Cl)cc([N-]C(=O)c2ccc(Br)o2)c1O ZINC000588096785 507759464 /nfs/dbraw/zinc/75/94/64/507759464.db2.gz OFBZPZGGULDPQV-UHFFFAOYSA-N -1 3 374.574 3.440 20 0 FGADHM COC(=O)c1cc(Cl)cc(NC(=O)c2ccc(NC(C)=O)cc2)c1[O-] ZINC000588095163 507759500 /nfs/dbraw/zinc/75/95/00/507759500.db2.gz GYRMGOUPHPCXRZ-UHFFFAOYSA-N -1 3 362.769 3.043 20 0 FGADHM COC(=O)c1cc(Cl)cc(NC(=O)[C@H](C)N2[C@H](C)CC[C@@H]2C)c1[O-] ZINC000588099187 507761589 /nfs/dbraw/zinc/76/15/89/507761589.db2.gz KLAHIJVXZNZEPF-AXFHLTTASA-N -1 3 354.834 3.032 20 0 FGADHM COC(=O)c1cc(Cl)cc(NC(=O)CSc2ccc(O)cc2)c1[O-] ZINC000588100289 507763107 /nfs/dbraw/zinc/76/31/07/507763107.db2.gz WKTIRGAYDQPLFL-UHFFFAOYSA-N -1 3 367.810 3.269 20 0 FGADHM COc1ccc(-c2nc([N-]C(=O)c3cccc(F)c3F)n[nH]2)c(OC)c1 ZINC000588102929 507764010 /nfs/dbraw/zinc/76/40/10/507764010.db2.gz KBGNIJCFHLSMBP-UHFFFAOYSA-N -1 3 360.320 3.019 20 0 FGADHM CCCN(CC)C(=O)c1ccc(C(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)cc1 ZINC000615137458 507765598 /nfs/dbraw/zinc/76/55/98/507765598.db2.gz KHVPKYFRVDBBAY-UHFFFAOYSA-N -1 3 366.421 3.393 20 0 FGADHM CSc1nnc(NC(=O)c2ccc(-c3noc(CC(C)(C)C)n3)cc2)[n-]1 ZINC000607637858 507781546 /nfs/dbraw/zinc/78/15/46/507781546.db2.gz LJZQJGWWQZEFBZ-UHFFFAOYSA-N -1 3 372.454 3.418 20 0 FGADHM CSc1n[n-]c(NC(=O)c2ccc(-c3noc(CC(C)(C)C)n3)cc2)n1 ZINC000607637858 507781549 /nfs/dbraw/zinc/78/15/49/507781549.db2.gz LJZQJGWWQZEFBZ-UHFFFAOYSA-N -1 3 372.454 3.418 20 0 FGADHM CSc1nc(NC(=O)c2ccc(-c3noc(CC(C)(C)C)n3)cc2)n[n-]1 ZINC000607637858 507781553 /nfs/dbraw/zinc/78/15/53/507781553.db2.gz LJZQJGWWQZEFBZ-UHFFFAOYSA-N -1 3 372.454 3.418 20 0 FGADHM CCOC(=O)c1cnc(SCc2ccc([O-])c3nc(C)ccc23)nc1N ZINC000509102139 515024299 /nfs/dbraw/zinc/02/42/99/515024299.db2.gz FAZXNPMYZRMMSN-UHFFFAOYSA-N -1 3 370.434 3.090 20 0 FGADHM Cc1ccc(NC(=O)c2csc(=NC3CC3)[n-]2)c(OCCN(C)C)c1 ZINC000476461699 515058499 /nfs/dbraw/zinc/05/84/99/515058499.db2.gz RJSTUVNVZZAGPB-UHFFFAOYSA-N -1 3 360.483 3.219 20 0 FGADHM C[C@@H](CNC(=O)N=c1ccc(C(F)(F)F)n[n-]1)N(C)Cc1ccccc1 ZINC000471952790 515064681 /nfs/dbraw/zinc/06/46/81/515064681.db2.gz IRXSFQDKIKQVLV-LBPRGKRZSA-N -1 3 367.375 3.137 20 0 FGADHM COc1ccccc1C[C@H](C)CC(=O)N=c1cc(OC(F)F)n(C)[n-]1 ZINC000490932137 515334916 /nfs/dbraw/zinc/33/49/16/515334916.db2.gz BCWHLBVPLOUHBG-NSHDSACASA-N -1 3 353.369 3.238 20 0 FGADHM Cn1[n-]c(=NC(=O)c2sccc2Br)cc1OC(F)F ZINC000490954851 515341942 /nfs/dbraw/zinc/34/19/42/515341942.db2.gz LSXQCLOULAJKBF-UHFFFAOYSA-N -1 3 352.160 3.098 20 0 FGADHM CCN=c1[n-]c(C(=O)N[C@H](C)c2ccc(Br)cn2)cs1 ZINC000481936852 515520160 /nfs/dbraw/zinc/52/01/60/515520160.db2.gz VHGKTMKOPFIRNU-MRVPVSSYSA-N -1 3 355.261 3.223 20 0 FGADHM CC[C@@]1(C)CN(C(=O)N=c2cc3ccc(Br)cn3[n-]2)CCO1 ZINC000482076385 515566938 /nfs/dbraw/zinc/56/69/38/515566938.db2.gz DNVVOCCLUIYBGQ-HNNXBMFYSA-N -1 3 367.247 3.130 20 0 FGADHM C[C@H]1N(C(=O)N=c2cc3ccc(Br)cn3[n-]2)CCOC1(C)C ZINC000482187447 515601288 /nfs/dbraw/zinc/60/12/88/515601288.db2.gz OZJFYAGGVCKVSO-SNVBAGLBSA-N -1 3 367.247 3.128 20 0 FGADHM CCOC[C@H](NC(=O)N=c1cc2ccc(Br)cn2[n-]1)C(C)C ZINC000482197929 515604277 /nfs/dbraw/zinc/60/42/77/515604277.db2.gz GBZONPNDNWWIIH-ZDUSSCGKSA-N -1 3 369.263 3.279 20 0 FGADHM CC(=O)CCc1ccc(O[C@@H](C)C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)cc1 ZINC000473846406 515771982 /nfs/dbraw/zinc/77/19/82/515771982.db2.gz ITBAPVBXMHAZGC-KSSFIOAISA-N -1 3 371.437 3.189 20 0 FGADHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)c1cccc(Oc2cnccn2)c1 ZINC000473850268 515776107 /nfs/dbraw/zinc/77/61/07/515776107.db2.gz NGEBRZWKZIYRSP-OAHLLOKOSA-N -1 3 351.366 3.096 20 0 FGADHM CCc1nc(C(=O)N=c2[nH][n-]c(CC)c2-c2ccc3c(c2)OCO3)co1 ZINC000483339007 516039011 /nfs/dbraw/zinc/03/90/11/516039011.db2.gz QVZASHATJQRUDN-UHFFFAOYSA-N -1 3 354.366 3.171 20 0 FGADHM COCCC[C@H](C)C(=O)N=c1[nH][n-]c(C)c1-c1ccc2c(c1)OCCO2 ZINC000483365495 516050949 /nfs/dbraw/zinc/05/09/49/516050949.db2.gz OELNNWIYWRTNJG-LBPRGKRZSA-N -1 3 359.426 3.158 20 0 FGADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)CCCn2cccn2)[nH][n-]1 ZINC000512846821 516383807 /nfs/dbraw/zinc/38/38/07/516383807.db2.gz RPVCDBFRPZOWNF-UHFFFAOYSA-N -1 3 359.817 3.354 20 0 FGADHM O=C(CCN1C(=O)CCc2ccccc21)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000524133276 516651804 /nfs/dbraw/zinc/65/18/04/516651804.db2.gz HCOINFXFYHSATN-UHFFFAOYSA-N -1 3 360.417 3.385 20 0 FGADHM O=C(N=c1cc2ccccn2[n-]1)N(CCc1ccccn1)Cc1cccnc1 ZINC000518417722 516652797 /nfs/dbraw/zinc/65/27/97/516652797.db2.gz CIZGHLYAIWDWJS-UHFFFAOYSA-N -1 3 372.432 3.401 20 0 FGADHM Cc1cc(=NC(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)[n-]nc1C ZINC000531813523 516655320 /nfs/dbraw/zinc/65/53/20/516655320.db2.gz KARCCOUCRKKVNZ-SFHVURJKSA-N -1 3 353.470 3.222 20 0 FGADHM COCc1ccc(C(=O)N=c2cc3ccc(Br)cn3[n-]2)o1 ZINC000513746899 516738680 /nfs/dbraw/zinc/73/86/80/516738680.db2.gz GFNGKDZFPIBHME-UHFFFAOYSA-N -1 3 350.172 3.089 20 0 FGADHM Cn1[n-]c(=NC(=O)[C@H]2[C@@H]3c4cccc(Cl)c4C[C@H]23)cc1OC(F)F ZINC000529070024 516901588 /nfs/dbraw/zinc/90/15/88/516901588.db2.gz HYKWAGBOVSTASK-CUOATXAZSA-N -1 3 353.756 3.199 20 0 FGADHM O=C(C[C@H]1CCCC(=O)N1)N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1 ZINC000519477537 517009977 /nfs/dbraw/zinc/00/99/77/517009977.db2.gz VKEFKMSRSCHEKE-GFCCVEGCSA-N -1 3 367.236 3.381 20 0 FGADHM C[C@H]1C[C@@H](NC(=O)N=c2ccc(C3CC3)n[n-]2)CN1Cc1ccccc1 ZINC000532566503 517038609 /nfs/dbraw/zinc/03/86/09/517038609.db2.gz RAOTVEBOFDDMKH-WMLDXEAASA-N -1 3 351.454 3.139 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@H](CO)CC3CCCC3)nc2)n1 ZINC000541921005 517293528 /nfs/dbraw/zinc/29/35/28/517293528.db2.gz TUJMBQYNUXVRCF-OAHLLOKOSA-N -1 3 356.470 3.407 20 0 FGADHM CCCc1ccc(-c2cc(=NC(=O)CNC(=O)c3cccs3)[nH][n-]2)cc1 ZINC000515454572 517357626 /nfs/dbraw/zinc/35/76/26/517357626.db2.gz UOFLTJLSSWMKRI-UHFFFAOYSA-N -1 3 368.462 3.459 20 0 FGADHM Cc1ccccc1-c1cc(=NC(=O)CSc2nnc3ccccn32)[nH][n-]1 ZINC000542083999 517372917 /nfs/dbraw/zinc/37/29/17/517372917.db2.gz TZGHBFMMFDBOFJ-UHFFFAOYSA-N -1 3 364.434 3.159 20 0 FGADHM O=C(CCc1ncc(-c2ccccc2)o1)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000526959837 517410768 /nfs/dbraw/zinc/41/07/68/517410768.db2.gz LWMRECMZQJPOJT-HNNXBMFYSA-N -1 3 352.394 3.488 20 0 FGADHM CCOc1nc(C(F)(F)F)ccc1C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000526959288 517411093 /nfs/dbraw/zinc/41/10/93/517411093.db2.gz DDMUUTMMVAWILS-NSHDSACASA-N -1 3 370.331 3.326 20 0 FGADHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1ccc(F)c(Br)c1 ZINC000526960551 517412120 /nfs/dbraw/zinc/41/21/20/517412120.db2.gz SFEQNOFRLIKCIV-LBPRGKRZSA-N -1 3 354.179 3.415 20 0 FGADHM CCC(CC)N1C[C@@H](C(=O)N=c2[nH][n-]c(C)c2-c2ccc(F)cc2)CC1=O ZINC000530274095 517671572 /nfs/dbraw/zinc/67/15/72/517671572.db2.gz NUCGNLGSPIGUJK-AWEZNQCLSA-N -1 3 372.444 3.500 20 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ZINC000616827050 520165245 /nfs/dbraw/zinc/16/52/45/520165245.db2.gz YHZXGOADYZDEMY-CQSZACIVSA-N -1 3 353.781 3.461 20 0 FGADHM Cn1cc(I)c(=NC(=O)C(C)(C)C2CCCC2)[n-]1 ZINC000602381467 521309693 /nfs/dbraw/zinc/30/96/93/521309693.db2.gz JFBZJELMRUSTGJ-UHFFFAOYSA-N -1 3 361.227 3.180 20 0 FGADHM O=C(N=c1[n-]nc(/C=C\c2ccco2)s1)NC[C@H]1CCN1C1CCCC1 ZINC000626466161 522210006 /nfs/dbraw/zinc/21/00/06/522210006.db2.gz LURQIBFJFADACH-WBTMPAOCSA-N -1 3 373.482 3.440 20 0 FGADHM COc1cccc(-c2c(C)[n-][nH]c2=NC(=O)[C@H](C)c2c(C)nn(C)c2C)c1 ZINC000629693162 522396271 /nfs/dbraw/zinc/39/62/71/522396271.db2.gz CNHRPOYPRCXESD-LLVKDONJSA-N -1 3 367.453 3.486 20 0 FGADHM COc1cccc(-c2c(C)[n-][nH]c2=NC(=O)c2cnn3c2C[C@@H](C)CC3)c1 ZINC000629692405 522397390 /nfs/dbraw/zinc/39/73/90/522397390.db2.gz NPBPOWKADKIISR-LBPRGKRZSA-N -1 3 365.437 3.425 20 0 FGADHM O=C(N=c1cc(-c2ccccc2F)o[n-]1)c1ccn(C2CCOCC2)n1 ZINC000629987283 522568549 /nfs/dbraw/zinc/56/85/49/522568549.db2.gz QWMUCRCLCPEWQV-UHFFFAOYSA-N -1 3 356.357 3.281 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@@H]2CC(=O)N[C@H]3CCCC[C@H]23)c1-c1ccccc1F ZINC000630024700 522588863 /nfs/dbraw/zinc/58/88/63/522588863.db2.gz LNMGICFTFAJZAW-XPKDYRNWSA-N -1 3 370.428 3.158 20 0 FGADHM O=C(N=c1[n-]nc([C@@H]2CCCO2)s1)c1ccc(CN2CCCC2)cc1 ZINC000636352413 522939593 /nfs/dbraw/zinc/93/95/93/522939593.db2.gz JSTXKFXASBGMGT-HNNXBMFYSA-N -1 3 358.467 3.238 20 0 FGADHM CN(C(=O)N=c1cc2ccc(Br)cn2[n-]1)[C@H]1CCSC1 ZINC000482169356 561249496 /nfs/dbraw/zinc/24/94/96/561249496.db2.gz MBTPBQQWPQGNMY-NSHDSACASA-N -1 3 355.261 3.066 20 0 FGADHM CCc1ccc(NC(=O)C(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)cc1Cl ZINC000501498074 561599025 /nfs/dbraw/zinc/59/90/25/561599025.db2.gz LNIOHVROKMOOBR-CQSZACIVSA-N -1 3 362.817 3.054 20 0 FGADHM Cc1cc(F)cc2c1CN(C(=O)N=c1cc(OC(F)F)n(C)[n-]1)CC2 ZINC000504858308 561663204 /nfs/dbraw/zinc/66/32/04/561663204.db2.gz OVMQISOKSNZUIK-UHFFFAOYSA-N -1 3 354.332 3.059 20 0 FGADHM Cc1cc(C)cc(-c2cc(=NC(=O)Cn3ncc(=O)c4ccccc43)[nH][n-]2)c1 ZINC000512531961 561908531 /nfs/dbraw/zinc/90/85/31/561908531.db2.gz YMMGIDJJVNOBEU-UHFFFAOYSA-N -1 3 373.416 3.042 20 0 FGADHM COCCOc1cncc(C(=O)N=c2cc(-c3cc(F)cc(F)c3)[n-][nH]2)c1 ZINC000513769303 561949423 /nfs/dbraw/zinc/94/94/23/561949423.db2.gz JNTSPJMVRITTLM-UHFFFAOYSA-N -1 3 374.347 3.027 20 0 FGADHM CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N=c1cc(C)c(C)n[n-]1 ZINC000531813718 562457696 /nfs/dbraw/zinc/45/76/96/562457696.db2.gz UTQDZBIAUBGLDJ-GOSISDBHSA-N -1 3 368.485 3.007 20 0 FGADHM Cc1ccc(-c2cc(C(=O)Nc3ccc(Cc4nnn[n-]4)cc3)n[nH]2)c(C)c1 ZINC000186422069 567917979 /nfs/dbraw/zinc/91/79/79/567917979.db2.gz KRUHJWURIBRLSS-UHFFFAOYSA-N -1 3 373.420 3.050 20 0 FGADHM Cc1ccc(-c2cc(C(=O)Nc3ccc(Cc4nn[n-]n4)cc3)n[nH]2)c(C)c1 ZINC000186422069 567917981 /nfs/dbraw/zinc/91/79/81/567917981.db2.gz KRUHJWURIBRLSS-UHFFFAOYSA-N -1 3 373.420 3.050 20 0 FGADHM CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1ccc2c(cnn2C(F)F)c1 ZINC000643269579 568450509 /nfs/dbraw/zinc/45/05/09/568450509.db2.gz MIDFZPHDCLGGQA-ZDUSSCGKSA-N -1 3 361.414 3.234 20 0 FGADHM CSc1cc(C(=O)Nc2cc(C)ccc2[N-]S(C)(=O)=O)c(C)o1 ZINC000669204186 568646970 /nfs/dbraw/zinc/64/69/70/568646970.db2.gz GSMMYTFMCFMSFM-UHFFFAOYSA-N -1 3 354.453 3.242 20 0 FGADHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1Cc1nc2ccccc2s1 ZINC000737526227 598827508 /nfs/dbraw/zinc/82/75/08/598827508.db2.gz YWSGFKCLYINDOY-UHFFFAOYSA-N -1 3 374.433 3.092 20 0 FGADHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1Cc1nc2ccccc2s1 ZINC000737526227 598827510 /nfs/dbraw/zinc/82/75/10/598827510.db2.gz YWSGFKCLYINDOY-UHFFFAOYSA-N -1 3 374.433 3.092 20 0 FGADHM CS[C@@H](C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000737171659 598831330 /nfs/dbraw/zinc/83/13/30/598831330.db2.gz OSRLFMCWYVYHSA-BLLLJJGKSA-N -1 3 353.451 3.148 20 0 FGADHM CS[C@@H](C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000737171659 598831331 /nfs/dbraw/zinc/83/13/31/598831331.db2.gz OSRLFMCWYVYHSA-BLLLJJGKSA-N -1 3 353.451 3.148 20 0 FGADHM O=C(O[C@H]1CCCC[C@@H]1c1ccc(F)cc1)c1ccc(-c2nnn[n-]2)cn1 ZINC000738213815 598864693 /nfs/dbraw/zinc/86/46/93/598864693.db2.gz HQCWOZDZMYOJPD-WBVHZDCISA-N -1 3 367.384 3.284 20 0 FGADHM O=C(O[C@H]1CCCC[C@@H]1c1ccc(F)cc1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738213815 598864694 /nfs/dbraw/zinc/86/46/94/598864694.db2.gz HQCWOZDZMYOJPD-WBVHZDCISA-N -1 3 367.384 3.284 20 0 FGADHM CC(C)(CCCc1ccccc1)CNC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000735664224 598866869 /nfs/dbraw/zinc/86/68/69/598866869.db2.gz HSBMJQCRAABWRI-UHFFFAOYSA-N -1 3 364.453 3.041 20 0 FGADHM CC(C)(CCCc1ccccc1)CNC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000735664224 598866870 /nfs/dbraw/zinc/86/68/70/598866870.db2.gz HSBMJQCRAABWRI-UHFFFAOYSA-N -1 3 364.453 3.041 20 0 FGADHM COC(=O)[C@H](N[C@H](C)c1cccc(C)c1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736899693 598886747 /nfs/dbraw/zinc/88/67/47/598886747.db2.gz ZAXWSVKMROERLQ-RDTXWAMCSA-N -1 3 365.437 3.048 20 0 FGADHM COC(=O)[C@H](N[C@H](C)c1cccc(C)c1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736899693 598886748 /nfs/dbraw/zinc/88/67/48/598886748.db2.gz ZAXWSVKMROERLQ-RDTXWAMCSA-N -1 3 365.437 3.048 20 0 FGADHM C[C@H]1CCCCCN1C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736266901 598901624 /nfs/dbraw/zinc/90/16/24/598901624.db2.gz KWPXGZVPAOXELQ-JTQLQIEISA-N -1 3 350.879 3.481 20 0 FGADHM C[C@H]1CCCCCN1C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736266901 598901625 /nfs/dbraw/zinc/90/16/25/598901625.db2.gz KWPXGZVPAOXELQ-JTQLQIEISA-N -1 3 350.879 3.481 20 0 FGADHM O=C(C[C@H]1CCOC1)OCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000737822712 598903997 /nfs/dbraw/zinc/90/39/97/598903997.db2.gz OHJZFBGXWBONKZ-OAHLLOKOSA-N -1 3 364.405 3.004 20 0 FGADHM O=C(C[C@H]1CCOC1)OCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000737822712 598903999 /nfs/dbraw/zinc/90/39/99/598903999.db2.gz OHJZFBGXWBONKZ-OAHLLOKOSA-N -1 3 364.405 3.004 20 0 FGADHM CCc1cc(NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)CC(C)C)no1 ZINC000736676672 598906537 /nfs/dbraw/zinc/90/65/37/598906537.db2.gz RUKZJSYRGXHMBF-UHFFFAOYSA-N -1 3 369.429 3.107 20 0 FGADHM CCc1cc(NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)CC(C)C)no1 ZINC000736676672 598906538 /nfs/dbraw/zinc/90/65/38/598906538.db2.gz RUKZJSYRGXHMBF-UHFFFAOYSA-N -1 3 369.429 3.107 20 0 FGADHM CC(C)C[C@H]1CCCCCN1C(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000735794936 598943680 /nfs/dbraw/zinc/94/36/80/598943680.db2.gz IRAIVEWEERRVAX-DOTOQJQBSA-N -1 3 371.485 3.451 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OCCOc1c(C)ccc(C)c1C ZINC000737033082 598977883 /nfs/dbraw/zinc/97/78/83/598977883.db2.gz SHVRACIJHCKYTE-UHFFFAOYSA-N -1 3 354.410 3.258 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OCCOc1c(C)ccc(C)c1C ZINC000737033082 598977885 /nfs/dbraw/zinc/97/78/85/598977885.db2.gz SHVRACIJHCKYTE-UHFFFAOYSA-N -1 3 354.410 3.258 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)Oc1ccc2ccccc2c1 ZINC000737225875 598994893 /nfs/dbraw/zinc/99/48/93/598994893.db2.gz JSUAPTNSAFPYKM-UHFFFAOYSA-N -1 3 366.402 3.096 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)Oc1ccc2ccccc2c1 ZINC000737225875 598994894 /nfs/dbraw/zinc/99/48/94/598994894.db2.gz JSUAPTNSAFPYKM-UHFFFAOYSA-N -1 3 366.402 3.096 20 0 FGADHM CC[C@H](NC(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1cc(F)ccc1F ZINC000736361666 599011989 /nfs/dbraw/zinc/01/19/89/599011989.db2.gz HGZSLPKOFXPYHL-HNNXBMFYSA-N -1 3 358.352 3.418 20 0 FGADHM CC[C@H](NC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1cc(F)ccc1F ZINC000736361666 599011991 /nfs/dbraw/zinc/01/19/91/599011991.db2.gz HGZSLPKOFXPYHL-HNNXBMFYSA-N -1 3 358.352 3.418 20 0 FGADHM CC[C@@H](NC(=S)NCc1cccc(-c2nnn[n-]2)c1)c1cccs1 ZINC000736371165 599014076 /nfs/dbraw/zinc/01/40/76/599014076.db2.gz OXNNTNOTAMQOPB-CYBMUJFWSA-N -1 3 358.496 3.044 20 0 FGADHM CC[C@@H](NC(=S)NCc1cccc(-c2nn[n-]n2)c1)c1cccs1 ZINC000736371165 599014077 /nfs/dbraw/zinc/01/40/77/599014077.db2.gz OXNNTNOTAMQOPB-CYBMUJFWSA-N -1 3 358.496 3.044 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C[C@H](C)c1cccnc1 ZINC000736481124 599022700 /nfs/dbraw/zinc/02/27/00/599022700.db2.gz SYUMHLXHZCQAQE-HNNXBMFYSA-N -1 3 364.453 3.194 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C[C@H](C)c1cccnc1 ZINC000736481124 599022702 /nfs/dbraw/zinc/02/27/02/599022702.db2.gz SYUMHLXHZCQAQE-HNNXBMFYSA-N -1 3 364.453 3.194 20 0 FGADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(NCCCOc2ccccc2)n1 ZINC000737635493 599043197 /nfs/dbraw/zinc/04/31/97/599043197.db2.gz HYNHTJDIDVOOED-UHFFFAOYSA-N -1 3 364.331 3.162 20 0 FGADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(NCCCOc2ccccc2)n1 ZINC000737635493 599043199 /nfs/dbraw/zinc/04/31/99/599043199.db2.gz HYNHTJDIDVOOED-UHFFFAOYSA-N -1 3 364.331 3.162 20 0 FGADHM COCc1cccc(CNc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)c1 ZINC000737016327 599044355 /nfs/dbraw/zinc/04/43/55/599044355.db2.gz BYJNDZAEXIRYOF-UHFFFAOYSA-N -1 3 364.331 3.039 20 0 FGADHM COCc1cccc(CNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)c1 ZINC000737016327 599044358 /nfs/dbraw/zinc/04/43/58/599044358.db2.gz BYJNDZAEXIRYOF-UHFFFAOYSA-N -1 3 364.331 3.039 20 0 FGADHM CC1(C)[C@H](Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)[C@@H]2CCO[C@H]21 ZINC000736204684 599045895 /nfs/dbraw/zinc/04/58/95/599045895.db2.gz FSJDZLPWEJGBJU-CYZMBNFOSA-N -1 3 353.348 3.111 20 0 FGADHM CC1(C)[C@H](Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)[C@@H]2CCO[C@H]21 ZINC000736204684 599045896 /nfs/dbraw/zinc/04/58/96/599045896.db2.gz FSJDZLPWEJGBJU-CYZMBNFOSA-N -1 3 353.348 3.111 20 0 FGADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(NCCCOC2CCCC2)n1 ZINC000737635704 599049654 /nfs/dbraw/zinc/04/96/54/599049654.db2.gz NHRCNXPMMOCDMD-UHFFFAOYSA-N -1 3 356.352 3.042 20 0 FGADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(NCCCOC2CCCC2)n1 ZINC000737635704 599049656 /nfs/dbraw/zinc/04/96/56/599049656.db2.gz NHRCNXPMMOCDMD-UHFFFAOYSA-N -1 3 356.352 3.042 20 0 FGADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(N2CCC3(C2)CCCCC3)n1 ZINC000822724053 599051011 /nfs/dbraw/zinc/05/10/11/599051011.db2.gz XLHPFNNNQDHOPF-UHFFFAOYSA-N -1 3 352.364 3.441 20 0 FGADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(N2CCC3(C2)CCCCC3)n1 ZINC000822724053 599051013 /nfs/dbraw/zinc/05/10/13/599051013.db2.gz XLHPFNNNQDHOPF-UHFFFAOYSA-N -1 3 352.364 3.441 20 0 FGADHM C[C@@H](OC(=O)c1cccc(-c2nnn[n-]2)c1)c1ncc(-c2ccccc2)o1 ZINC000736162177 599056119 /nfs/dbraw/zinc/05/61/19/599056119.db2.gz HUQXWBIJPBDZQQ-GFCCVEGCSA-N -1 3 361.361 3.440 20 0 FGADHM C[C@@H](OC(=O)c1cccc(-c2nn[n-]n2)c1)c1ncc(-c2ccccc2)o1 ZINC000736162177 599056121 /nfs/dbraw/zinc/05/61/21/599056121.db2.gz HUQXWBIJPBDZQQ-GFCCVEGCSA-N -1 3 361.361 3.440 20 0 FGADHM Fc1cc2ncc(Sc3ccc(-c4nnn[n-]4)cc3F)nc2cc1F ZINC000822753991 599058028 /nfs/dbraw/zinc/05/80/28/599058028.db2.gz VKJPTIBGFSZVEK-UHFFFAOYSA-N -1 3 360.324 3.378 20 0 FGADHM Fc1cc2ncc(Sc3ccc(-c4nn[n-]n4)cc3F)nc2cc1F ZINC000822753991 599058031 /nfs/dbraw/zinc/05/80/31/599058031.db2.gz VKJPTIBGFSZVEK-UHFFFAOYSA-N -1 3 360.324 3.378 20 0 FGADHM COc1cc(CNc2ncc(-c3nnn[n-]3)cc2Cl)c2ccccc2n1 ZINC000821717707 599062197 /nfs/dbraw/zinc/06/21/97/599062197.db2.gz VGXRDSFTZOIQDZ-UHFFFAOYSA-N -1 3 367.800 3.084 20 0 FGADHM COc1cc(CNc2ncc(-c3nn[n-]n3)cc2Cl)c2ccccc2n1 ZINC000821717707 599062200 /nfs/dbraw/zinc/06/22/00/599062200.db2.gz VGXRDSFTZOIQDZ-UHFFFAOYSA-N -1 3 367.800 3.084 20 0 FGADHM CC[C@@H]1CCCCN1C(=O)[C@H](C)Sc1ccc(-c2nnn[n-]2)cc1F ZINC000736399663 599063084 /nfs/dbraw/zinc/06/30/84/599063084.db2.gz JOSCKZFBTJIUHR-WCQYABFASA-N -1 3 363.462 3.278 20 0 FGADHM CC[C@@H]1CCCCN1C(=O)[C@H](C)Sc1ccc(-c2nn[n-]n2)cc1F ZINC000736399663 599063087 /nfs/dbraw/zinc/06/30/87/599063087.db2.gz JOSCKZFBTJIUHR-WCQYABFASA-N -1 3 363.462 3.278 20 0 FGADHM C[C@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)Oc1cccc(Cl)c1 ZINC000820280765 599064104 /nfs/dbraw/zinc/06/41/04/599064104.db2.gz OCRCOLBANFYCDP-SECBINFHSA-N -1 3 365.224 3.448 20 0 FGADHM C[C@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)Oc1cccc(Cl)c1 ZINC000820280765 599064107 /nfs/dbraw/zinc/06/41/07/599064107.db2.gz OCRCOLBANFYCDP-SECBINFHSA-N -1 3 365.224 3.448 20 0 FGADHM CS[C@H]1CC[C@@H](Nc2c(-c3nnn[n-]3)cnc3c(C)cc(C)cc32)C1 ZINC000821950326 599073418 /nfs/dbraw/zinc/07/34/18/599073418.db2.gz MNIBQKADMJCBQC-OLZOCXBDSA-N -1 3 354.483 3.150 20 0 FGADHM CS[C@H]1CC[C@@H](Nc2c(-c3nn[n-]n3)cnc3c(C)cc(C)cc32)C1 ZINC000821950326 599073420 /nfs/dbraw/zinc/07/34/20/599073420.db2.gz MNIBQKADMJCBQC-OLZOCXBDSA-N -1 3 354.483 3.150 20 0 FGADHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(N3C[C@H](C)S[C@@H](C)C3)c2c1 ZINC000822195342 599075341 /nfs/dbraw/zinc/07/53/41/599075341.db2.gz PJHYTTODVRDAPX-STQMWFEESA-N -1 3 354.483 3.362 20 0 FGADHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(N3C[C@H](C)S[C@@H](C)C3)c2c1 ZINC000822195342 599075347 /nfs/dbraw/zinc/07/53/47/599075347.db2.gz PJHYTTODVRDAPX-STQMWFEESA-N -1 3 354.483 3.362 20 0 FGADHM CCC(=CC(=O)NCc1ccc(-c2nnn[n-]2)cc1F)c1ccc(C)cc1 ZINC000736303011 599075374 /nfs/dbraw/zinc/07/53/74/599075374.db2.gz GPVUAZUNWOBESR-KAMYIIQDSA-N -1 3 365.412 3.424 20 0 FGADHM CCC(=CC(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1ccc(C)cc1 ZINC000736303011 599075379 /nfs/dbraw/zinc/07/53/79/599075379.db2.gz GPVUAZUNWOBESR-KAMYIIQDSA-N -1 3 365.412 3.424 20 0 FGADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1C[C@H](C)CCC[C@H]1C ZINC000736244573 599087026 /nfs/dbraw/zinc/08/70/26/599087026.db2.gz KFXITWDXYNJOJY-IIDMSEBBSA-N -1 3 371.485 3.307 20 0 FGADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1C[C@H](C)CCC[C@H]1C ZINC000736244573 599087029 /nfs/dbraw/zinc/08/70/29/599087029.db2.gz KFXITWDXYNJOJY-IIDMSEBBSA-N -1 3 371.485 3.307 20 0 FGADHM Cn1ccnc1C[C@H](Nc1ccc(F)cc1-c1nnn[n-]1)c1ccccc1 ZINC000822699273 599091463 /nfs/dbraw/zinc/09/14/63/599091463.db2.gz UNESTHRRAUMSJL-KRWDZBQOSA-N -1 3 363.400 3.135 20 0 FGADHM Cn1ccnc1C[C@H](Nc1ccc(F)cc1-c1nn[n-]n1)c1ccccc1 ZINC000822699273 599091465 /nfs/dbraw/zinc/09/14/65/599091465.db2.gz UNESTHRRAUMSJL-KRWDZBQOSA-N -1 3 363.400 3.135 20 0 FGADHM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)N[C@@H]1C[C@H]1C1CCCCC1 ZINC000737931570 599096141 /nfs/dbraw/zinc/09/61/41/599096141.db2.gz IBOWPFGMGDXCMR-DLBZAZTESA-N -1 3 371.510 3.185 20 0 FGADHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)N[C@@H]1C[C@H]1C1CCCCC1 ZINC000737931570 599096144 /nfs/dbraw/zinc/09/61/44/599096144.db2.gz IBOWPFGMGDXCMR-DLBZAZTESA-N -1 3 371.510 3.185 20 0 FGADHM CC[C@H]1CN(c2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)CCS1 ZINC000820995390 599102182 /nfs/dbraw/zinc/10/21/82/599102182.db2.gz QRPJNYKAZCNOKC-NSHDSACASA-N -1 3 360.874 3.400 20 0 FGADHM CC[C@H]1CN(c2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)CCS1 ZINC000820995390 599102183 /nfs/dbraw/zinc/10/21/83/599102183.db2.gz QRPJNYKAZCNOKC-NSHDSACASA-N -1 3 360.874 3.400 20 0 FGADHM Cc1ccc(NC(=O)[C@H](C)Sc2ccccc2-c2nnn[n-]2)cc1F ZINC000737355595 599110350 /nfs/dbraw/zinc/11/03/50/599110350.db2.gz JAWDXYYNOPJNJW-NSHDSACASA-N -1 3 357.414 3.434 20 0 FGADHM Cc1ccc(NC(=O)[C@H](C)Sc2ccccc2-c2nn[n-]n2)cc1F ZINC000737355595 599110352 /nfs/dbraw/zinc/11/03/52/599110352.db2.gz JAWDXYYNOPJNJW-NSHDSACASA-N -1 3 357.414 3.434 20 0 FGADHM COC(=O)[C@@H](Sc1ccc(C)c(C)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736901968 599112058 /nfs/dbraw/zinc/11/20/58/599112058.db2.gz PWUZFGIFDWVAJQ-INIZCTEOSA-N -1 3 354.435 3.490 20 0 FGADHM COC(=O)[C@@H](Sc1ccc(C)c(C)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736901968 599112060 /nfs/dbraw/zinc/11/20/60/599112060.db2.gz PWUZFGIFDWVAJQ-INIZCTEOSA-N -1 3 354.435 3.490 20 0 FGADHM O=C(CSc1ccccc1-c1nnn[n-]1)Nc1cc(Cl)ccc1F ZINC000737948515 599112124 /nfs/dbraw/zinc/11/21/24/599112124.db2.gz WYKQWVPQHIZLDO-UHFFFAOYSA-N -1 3 363.805 3.390 20 0 FGADHM O=C(CSc1ccccc1-c1nn[n-]n1)Nc1cc(Cl)ccc1F ZINC000737948515 599112125 /nfs/dbraw/zinc/11/21/25/599112125.db2.gz WYKQWVPQHIZLDO-UHFFFAOYSA-N -1 3 363.805 3.390 20 0 FGADHM CSc1ccc(OCCSc2nc(C)nc(C)c2-c2nnn[n-]2)cc1 ZINC000821984711 599125160 /nfs/dbraw/zinc/12/51/60/599125160.db2.gz RUIPXGRGCKDHDX-UHFFFAOYSA-N -1 3 374.495 3.167 20 0 FGADHM CSc1ccc(OCCSc2nc(C)nc(C)c2-c2nn[n-]n2)cc1 ZINC000821984711 599125161 /nfs/dbraw/zinc/12/51/61/599125161.db2.gz RUIPXGRGCKDHDX-UHFFFAOYSA-N -1 3 374.495 3.167 20 0 FGADHM Cc1cncc(C(=O)Oc2ccc(-c3ccc(-c4nnn[n-]4)cc3)cc2)c1 ZINC000822399932 599135556 /nfs/dbraw/zinc/13/55/56/599135556.db2.gz PMRAGNHAOZPMQJ-UHFFFAOYSA-N -1 3 357.373 3.456 20 0 FGADHM Cc1cncc(C(=O)Oc2ccc(-c3ccc(-c4nn[n-]n4)cc3)cc2)c1 ZINC000822399932 599135558 /nfs/dbraw/zinc/13/55/58/599135558.db2.gz PMRAGNHAOZPMQJ-UHFFFAOYSA-N -1 3 357.373 3.456 20 0 FGADHM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820938446 599137229 /nfs/dbraw/zinc/13/72/29/599137229.db2.gz IXCGHUMVFBWFLL-NONVJHHQSA-N -1 3 371.485 3.418 20 0 FGADHM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820938446 599137232 /nfs/dbraw/zinc/13/72/32/599137232.db2.gz IXCGHUMVFBWFLL-NONVJHHQSA-N -1 3 371.485 3.418 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cccc2cc[nH]c21 ZINC000821104831 599139025 /nfs/dbraw/zinc/13/90/25/599139025.db2.gz SGBDNSCEPBLNHU-UHFFFAOYSA-N -1 3 360.421 3.400 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cccc2cc[nH]c21 ZINC000821104831 599139027 /nfs/dbraw/zinc/13/90/27/599139027.db2.gz SGBDNSCEPBLNHU-UHFFFAOYSA-N -1 3 360.421 3.400 20 0 FGADHM CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820939304 599139088 /nfs/dbraw/zinc/13/90/88/599139088.db2.gz SXBLYPMYJIDHMO-JLSDUUJJSA-N -1 3 371.485 3.199 20 0 FGADHM CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820939304 599139092 /nfs/dbraw/zinc/13/90/92/599139092.db2.gz SXBLYPMYJIDHMO-JLSDUUJJSA-N -1 3 371.485 3.199 20 0 FGADHM C[C@H](CCc1ccccc1F)C(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820252750 599139249 /nfs/dbraw/zinc/13/92/49/599139249.db2.gz CYQIHEHXEYWEFT-CQSZACIVSA-N -1 3 367.428 3.233 20 0 FGADHM C[C@H](CCc1ccccc1F)C(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820252750 599139250 /nfs/dbraw/zinc/13/92/50/599139250.db2.gz CYQIHEHXEYWEFT-CQSZACIVSA-N -1 3 367.428 3.233 20 0 FGADHM Cc1cc(F)cc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(C)C)c1 ZINC000822203104 599144773 /nfs/dbraw/zinc/14/47/73/599144773.db2.gz FASILDXOPMFVGR-UHFFFAOYSA-N -1 3 355.373 3.354 20 0 FGADHM Cc1cc(F)cc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(C)C)c1 ZINC000822203104 599144774 /nfs/dbraw/zinc/14/47/74/599144774.db2.gz FASILDXOPMFVGR-UHFFFAOYSA-N -1 3 355.373 3.354 20 0 FGADHM Cc1c2ccccc2oc1CNC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737210676 599147830 /nfs/dbraw/zinc/14/78/30/599147830.db2.gz GXXZKALVMOLBPW-UHFFFAOYSA-N -1 3 366.356 3.382 20 0 FGADHM Cc1c2ccccc2oc1CNC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737210676 599147832 /nfs/dbraw/zinc/14/78/32/599147832.db2.gz GXXZKALVMOLBPW-UHFFFAOYSA-N -1 3 366.356 3.382 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H](C)CCc1ccccc1F ZINC000821755622 599148394 /nfs/dbraw/zinc/14/83/94/599148394.db2.gz IJRLHNPDKZHYBI-GFCCVEGCSA-N -1 3 369.400 3.222 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H](C)CCc1ccccc1F ZINC000821755622 599148396 /nfs/dbraw/zinc/14/83/96/599148396.db2.gz IJRLHNPDKZHYBI-GFCCVEGCSA-N -1 3 369.400 3.222 20 0 FGADHM C[C@@H](OC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1)C1CC1 ZINC000736164515 599151942 /nfs/dbraw/zinc/15/19/42/599151942.db2.gz XWWKXCZEMWIYPE-CYBMUJFWSA-N -1 3 364.405 3.401 20 0 FGADHM C[C@@H](CCc1ccccc1F)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000820253900 599152637 /nfs/dbraw/zinc/15/26/37/599152637.db2.gz KRZOFXAJRNFLPD-LBPRGKRZSA-N -1 3 371.391 3.030 20 0 FGADHM C[C@@H](CCc1ccccc1F)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000820253900 599152641 /nfs/dbraw/zinc/15/26/41/599152641.db2.gz KRZOFXAJRNFLPD-LBPRGKRZSA-N -1 3 371.391 3.030 20 0 FGADHM CCCn1c2cccc(F)c2nc1-c1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000821142014 599154940 /nfs/dbraw/zinc/15/49/40/599154940.db2.gz BGYDYJFZRQSOAR-UHFFFAOYSA-N -1 3 352.373 3.441 20 0 FGADHM CCCn1c2cccc(F)c2nc1-c1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000821142014 599154943 /nfs/dbraw/zinc/15/49/43/599154943.db2.gz BGYDYJFZRQSOAR-UHFFFAOYSA-N -1 3 352.373 3.441 20 0 FGADHM CN(CC1CCCCC1)C(=O)CSc1ccc(-c2nnn[n-]2)cc1F ZINC000736794328 599169318 /nfs/dbraw/zinc/16/93/18/599169318.db2.gz QPUKQNXFSYTWFJ-UHFFFAOYSA-N -1 3 363.462 3.137 20 0 FGADHM CN(CC1CCCCC1)C(=O)CSc1ccc(-c2nn[n-]n2)cc1F ZINC000736794328 599169320 /nfs/dbraw/zinc/16/93/20/599169320.db2.gz QPUKQNXFSYTWFJ-UHFFFAOYSA-N -1 3 363.462 3.137 20 0 FGADHM Fc1cc(-c2nnn[n-]2)ccc1SCc1ccc(Br)cn1 ZINC000737645048 599174151 /nfs/dbraw/zinc/17/41/51/599174151.db2.gz OUABUJUJHJLPIM-UHFFFAOYSA-N -1 3 366.219 3.456 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1SCc1ccc(Br)cn1 ZINC000737645048 599174153 /nfs/dbraw/zinc/17/41/53/599174153.db2.gz OUABUJUJHJLPIM-UHFFFAOYSA-N -1 3 366.219 3.456 20 0 FGADHM O=C(C=Cc1ccc(Cl)s1)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822930362 599181796 /nfs/dbraw/zinc/18/17/96/599181796.db2.gz ZHYLOIPXDWDDTB-ZZXKWVIFSA-N -1 3 363.805 3.050 20 0 FGADHM O=C(C=Cc1ccc(Cl)s1)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822930362 599181800 /nfs/dbraw/zinc/18/18/00/599181800.db2.gz ZHYLOIPXDWDDTB-ZZXKWVIFSA-N -1 3 363.805 3.050 20 0 FGADHM Cc1ccc([C@H]2CCCN2C(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000737329652 599184222 /nfs/dbraw/zinc/18/42/22/599184222.db2.gz HGCBOGGBAGPDBN-XJKSGUPXSA-N -1 3 366.425 3.376 20 0 FGADHM Cc1ccc([C@H]2CCCN2C(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000737329652 599184224 /nfs/dbraw/zinc/18/42/24/599184224.db2.gz HGCBOGGBAGPDBN-XJKSGUPXSA-N -1 3 366.425 3.376 20 0 FGADHM CN(C(=O)[C@@H]1CCSc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000736730544 599184402 /nfs/dbraw/zinc/18/44/02/599184402.db2.gz AFQMLVQTXOYRER-OAHLLOKOSA-N -1 3 351.435 3.109 20 0 FGADHM CN(C(=O)[C@@H]1CCSc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000736730544 599184405 /nfs/dbraw/zinc/18/44/05/599184405.db2.gz AFQMLVQTXOYRER-OAHLLOKOSA-N -1 3 351.435 3.109 20 0 FGADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H]1CCSc2ccccc21 ZINC000736813984 599182872 /nfs/dbraw/zinc/18/28/72/599182872.db2.gz OBMANIZFUOEBIE-INIZCTEOSA-N -1 3 365.462 3.105 20 0 FGADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H]1CCSc2ccccc21 ZINC000736813984 599182874 /nfs/dbraw/zinc/18/28/74/599182874.db2.gz OBMANIZFUOEBIE-INIZCTEOSA-N -1 3 365.462 3.105 20 0 FGADHM Cc1cc(NC(=O)c2sccc2-c2nnn[n-]2)c2cccnc2c1C ZINC000822209359 599197654 /nfs/dbraw/zinc/19/76/54/599197654.db2.gz FPDWWMYUQUNRBS-UHFFFAOYSA-N -1 3 350.407 3.346 20 0 FGADHM Cc1cc(NC(=O)c2sccc2-c2nn[n-]n2)c2cccnc2c1C ZINC000822209359 599197657 /nfs/dbraw/zinc/19/76/57/599197657.db2.gz FPDWWMYUQUNRBS-UHFFFAOYSA-N -1 3 350.407 3.346 20 0 FGADHM Fc1ccc2[nH]cc(CCNc3nc4c(cc3-c3nnn[n-]3)CCC4)c2c1 ZINC000737656535 599206293 /nfs/dbraw/zinc/20/62/93/599206293.db2.gz OCUJBMIZTIPAKX-UHFFFAOYSA-N -1 3 363.400 3.025 20 0 FGADHM Fc1ccc2[nH]cc(CCNc3nc4c(cc3-c3nn[n-]n3)CCC4)c2c1 ZINC000737656535 599206296 /nfs/dbraw/zinc/20/62/96/599206296.db2.gz OCUJBMIZTIPAKX-UHFFFAOYSA-N -1 3 363.400 3.025 20 0 FGADHM COCCN(C(=O)C[C@H]1CCCC[C@H]1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736989532 599206571 /nfs/dbraw/zinc/20/65/71/599206571.db2.gz VLYBGBNUWOWQBS-GDBMZVCRSA-N -1 3 357.458 3.063 20 0 FGADHM COCCN(C(=O)C[C@H]1CCCC[C@H]1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736989532 599206574 /nfs/dbraw/zinc/20/65/74/599206574.db2.gz VLYBGBNUWOWQBS-GDBMZVCRSA-N -1 3 357.458 3.063 20 0 FGADHM CC[C@@H](Cc1ccccc1)N(C)C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000736349010 599210014 /nfs/dbraw/zinc/21/00/14/599210014.db2.gz CSNDFICNFIGDGQ-HWOXTHGCSA-N -1 3 361.449 3.360 20 0 FGADHM CC[C@@H](Cc1ccccc1)N(C)C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000736349010 599210017 /nfs/dbraw/zinc/21/00/17/599210017.db2.gz CSNDFICNFIGDGQ-HWOXTHGCSA-N -1 3 361.449 3.360 20 0 FGADHM CC1(C)C[C@H](NC(=O)NCc2cccc(-c3nnn[n-]3)c2)c2ccccc21 ZINC000820590521 607261144 /nfs/dbraw/zinc/26/11/44/607261144.db2.gz VSQRJNFQNDCJIJ-KRWDZBQOSA-N -1 3 362.437 3.089 20 0 FGADHM CC1(C)C[C@H](NC(=O)NCc2cccc(-c3nn[n-]n3)c2)c2ccccc21 ZINC000820590521 607261145 /nfs/dbraw/zinc/26/11/45/607261145.db2.gz VSQRJNFQNDCJIJ-KRWDZBQOSA-N -1 3 362.437 3.089 20 0 FGADHM Brc1ccc(N2CCc3sccc3C2)c(-c2nnn[n-]2)c1 ZINC000735368855 599361563 /nfs/dbraw/zinc/36/15/63/599361563.db2.gz NYGRYMTYDYUTIY-UHFFFAOYSA-N -1 3 362.256 3.253 20 0 FGADHM Brc1ccc(N2CCc3sccc3C2)c(-c2nn[n-]n2)c1 ZINC000735368855 599361566 /nfs/dbraw/zinc/36/15/66/599361566.db2.gz NYGRYMTYDYUTIY-UHFFFAOYSA-N -1 3 362.256 3.253 20 0 FGADHM Cc1ccc(Cl)c(OC(=O)c2ncc(-c3nnn[n-]3)cc2Cl)c1 ZINC000822239799 607263009 /nfs/dbraw/zinc/26/30/09/607263009.db2.gz DYLRURGDGSDGFO-UHFFFAOYSA-N -1 3 350.165 3.096 20 0 FGADHM Cc1ccc(Cl)c(OC(=O)c2ncc(-c3nn[n-]n3)cc2Cl)c1 ZINC000822239799 607263010 /nfs/dbraw/zinc/26/30/10/607263010.db2.gz DYLRURGDGSDGFO-UHFFFAOYSA-N -1 3 350.165 3.096 20 0 FGADHM CC1(C)C[C@@H](NC(=O)C=Cc2ccccc2-c2nnn[n-]2)c2ccccc21 ZINC000820586702 607265874 /nfs/dbraw/zinc/26/58/74/607265874.db2.gz ZAINBOZRSYXIJX-YUIUBULTSA-N -1 3 359.433 3.419 20 0 FGADHM CC1(C)C[C@@H](NC(=O)C=Cc2ccccc2-c2nn[n-]n2)c2ccccc21 ZINC000820586702 607265875 /nfs/dbraw/zinc/26/58/75/607265875.db2.gz ZAINBOZRSYXIJX-YUIUBULTSA-N -1 3 359.433 3.419 20 0 FGADHM CCOc1ccc(NC(=S)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821422389 599238638 /nfs/dbraw/zinc/23/86/38/599238638.db2.gz WOCMOXBWSWKAJT-GFCCVEGCSA-N -1 3 368.466 3.313 20 0 FGADHM CCOc1ccc(NC(=S)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821422389 599238640 /nfs/dbraw/zinc/23/86/40/599238640.db2.gz WOCMOXBWSWKAJT-GFCCVEGCSA-N -1 3 368.466 3.313 20 0 FGADHM Cc1cc(C(=O)CCC(=O)Nc2cccc(-c3nnn[n-]3)c2C)c(C)s1 ZINC000822160849 607270017 /nfs/dbraw/zinc/27/00/17/607270017.db2.gz LCXGPRXJBRUBAA-UHFFFAOYSA-N -1 3 369.450 3.455 20 0 FGADHM Cc1cc(C(=O)CCC(=O)Nc2cccc(-c3nn[n-]n3)c2C)c(C)s1 ZINC000822160849 607270018 /nfs/dbraw/zinc/27/00/18/607270018.db2.gz LCXGPRXJBRUBAA-UHFFFAOYSA-N -1 3 369.450 3.455 20 0 FGADHM COc1ccc(C)cc1NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821782457 599243836 /nfs/dbraw/zinc/24/38/36/599243836.db2.gz FPZDOJZNPFHHNF-LBPRGKRZSA-N -1 3 352.398 3.066 20 0 FGADHM COc1ccc(C)cc1NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821782457 599243837 /nfs/dbraw/zinc/24/38/37/599243837.db2.gz FPZDOJZNPFHHNF-LBPRGKRZSA-N -1 3 352.398 3.066 20 0 FGADHM Cc1cc(C)cc(C[C@@H](C)NC(=O)Nc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822196210 599246304 /nfs/dbraw/zinc/24/63/04/599246304.db2.gz ACMLPCPGYKHSJB-CQSZACIVSA-N -1 3 350.426 3.236 20 0 FGADHM Cc1cc(C)cc(C[C@@H](C)NC(=O)Nc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822196210 599246305 /nfs/dbraw/zinc/24/63/05/599246305.db2.gz ACMLPCPGYKHSJB-CQSZACIVSA-N -1 3 350.426 3.236 20 0 FGADHM CC[C@H](NC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccncc1 ZINC000820919518 599247304 /nfs/dbraw/zinc/24/73/04/599247304.db2.gz DYIUATPXANIUEA-AWEZNQCLSA-N -1 3 357.805 3.188 20 0 FGADHM CC[C@H](NC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccncc1 ZINC000820919518 599247306 /nfs/dbraw/zinc/24/73/06/599247306.db2.gz DYIUATPXANIUEA-AWEZNQCLSA-N -1 3 357.805 3.188 20 0 FGADHM C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736232448 599248439 /nfs/dbraw/zinc/24/84/39/599248439.db2.gz DJNZATXZILVFEB-PXAZEXFGSA-N -1 3 351.385 3.229 20 0 FGADHM C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736232448 599248440 /nfs/dbraw/zinc/24/84/40/599248440.db2.gz DJNZATXZILVFEB-PXAZEXFGSA-N -1 3 351.385 3.229 20 0 FGADHM Cc1c(NC(=O)N2CCC(OCCC(C)C)CC2)cccc1-c1nnn[n-]1 ZINC000822084215 607281329 /nfs/dbraw/zinc/28/13/29/607281329.db2.gz HBJRCSOMAIIWIF-UHFFFAOYSA-N -1 3 372.473 3.234 20 0 FGADHM Cc1c(NC(=O)N2CCC(OCCC(C)C)CC2)cccc1-c1nn[n-]n1 ZINC000822084215 607281330 /nfs/dbraw/zinc/28/13/30/607281330.db2.gz HBJRCSOMAIIWIF-UHFFFAOYSA-N -1 3 372.473 3.234 20 0 FGADHM COc1c(C)ccc(NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1C ZINC000821698519 599252092 /nfs/dbraw/zinc/25/20/92/599252092.db2.gz NHPBMGKRIDMFGA-ZDUSSCGKSA-N -1 3 366.425 3.375 20 0 FGADHM COc1c(C)ccc(NC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1C ZINC000821698519 599252093 /nfs/dbraw/zinc/25/20/93/599252093.db2.gz NHPBMGKRIDMFGA-ZDUSSCGKSA-N -1 3 366.425 3.375 20 0 FGADHM CCN(CCc1ccccc1)C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821215910 607281350 /nfs/dbraw/zinc/28/13/50/607281350.db2.gz XPZITALXLAWXCY-UHFFFAOYSA-N -1 3 350.426 3.272 20 0 FGADHM CCN(CCc1ccccc1)C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821215910 607281351 /nfs/dbraw/zinc/28/13/51/607281351.db2.gz XPZITALXLAWXCY-UHFFFAOYSA-N -1 3 350.426 3.272 20 0 FGADHM C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)Nc2ccccc2CC(=O)[O-])C1 ZINC000818071242 597341521 /nfs/dbraw/zinc/34/15/21/597341521.db2.gz LOJOTTATJZJTRJ-MAUKXSAKSA-N -1 3 367.449 3.271 20 0 FGADHM CCS[C@@H]1CC[C@@H](N(C)C(=O)Nc2cccc(-c3nnn[n-]3)c2C)C1 ZINC000821450004 607289793 /nfs/dbraw/zinc/28/97/93/607289793.db2.gz ZNZFJEVEAQENAZ-CHWSQXEVSA-N -1 3 360.487 3.313 20 0 FGADHM CCS[C@@H]1CC[C@@H](N(C)C(=O)Nc2cccc(-c3nn[n-]n3)c2C)C1 ZINC000821450004 607289794 /nfs/dbraw/zinc/28/97/94/607289794.db2.gz ZNZFJEVEAQENAZ-CHWSQXEVSA-N -1 3 360.487 3.313 20 0 FGADHM Cc1c(NC(=O)NC[C@@H]2CCCc3ccccc32)cccc1-c1nnn[n-]1 ZINC000822097485 607290771 /nfs/dbraw/zinc/29/07/71/607290771.db2.gz ZILCVGWHNYYLLT-HNNXBMFYSA-N -1 3 362.437 3.417 20 0 FGADHM Cc1c(NC(=O)NC[C@@H]2CCCc3ccccc32)cccc1-c1nn[n-]n1 ZINC000822097485 607290772 /nfs/dbraw/zinc/29/07/72/607290772.db2.gz ZILCVGWHNYYLLT-HNNXBMFYSA-N -1 3 362.437 3.417 20 0 FGADHM Cc1c(NC(=O)NCCc2cccc(Cl)c2)cccc1-c1nnn[n-]1 ZINC000822105057 607292582 /nfs/dbraw/zinc/29/25/82/607292582.db2.gz UIEFTKVOBLTJHP-UHFFFAOYSA-N -1 3 356.817 3.193 20 0 FGADHM Cc1c(NC(=O)NCCc2cccc(Cl)c2)cccc1-c1nn[n-]n1 ZINC000822105057 607292583 /nfs/dbraw/zinc/29/25/83/607292583.db2.gz UIEFTKVOBLTJHP-UHFFFAOYSA-N -1 3 356.817 3.193 20 0 FGADHM C[C@H](NC(=O)N[C@H]1C[C@@H]1C1CCCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820357751 599259044 /nfs/dbraw/zinc/25/90/44/599259044.db2.gz JQTCJTDWPWEBBI-VUCTXSBTSA-N -1 3 354.458 3.196 20 0 FGADHM C[C@H](NC(=O)N[C@H]1C[C@@H]1C1CCCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820357751 599259047 /nfs/dbraw/zinc/25/90/47/599259047.db2.gz JQTCJTDWPWEBBI-VUCTXSBTSA-N -1 3 354.458 3.196 20 0 FGADHM O=C(COc1cccc(-c2nnn[n-]2)c1)NC(C1CCCC1)C1CCCC1 ZINC000737925452 599260370 /nfs/dbraw/zinc/26/03/70/599260370.db2.gz SZAPHDVGFRNSCV-UHFFFAOYSA-N -1 3 369.469 3.111 20 0 FGADHM O=C(COc1cccc(-c2nn[n-]n2)c1)NC(C1CCCC1)C1CCCC1 ZINC000737925452 599260373 /nfs/dbraw/zinc/26/03/73/599260373.db2.gz SZAPHDVGFRNSCV-UHFFFAOYSA-N -1 3 369.469 3.111 20 0 FGADHM C[C@H](NC(=O)c1ncc(-c2nnn[n-]2)cc1Cl)C(C)(C)c1ccccc1 ZINC000820402462 607300518 /nfs/dbraw/zinc/30/05/18/607300518.db2.gz DNKVNXQSESRXBA-NSHDSACASA-N -1 3 370.844 3.011 20 0 FGADHM C[C@H](NC(=O)c1ncc(-c2nn[n-]n2)cc1Cl)C(C)(C)c1ccccc1 ZINC000820402462 607300519 /nfs/dbraw/zinc/30/05/19/607300519.db2.gz DNKVNXQSESRXBA-NSHDSACASA-N -1 3 370.844 3.011 20 0 FGADHM Cc1cc(F)cc(NCC(=O)Nc2cc(Cl)ccc2-c2nnn[n-]2)c1 ZINC000822203228 607307460 /nfs/dbraw/zinc/30/74/60/607307460.db2.gz JZPOCPAQGKSRFX-UHFFFAOYSA-N -1 3 360.780 3.018 20 0 FGADHM Cc1cc(F)cc(NCC(=O)Nc2cc(Cl)ccc2-c2nn[n-]n2)c1 ZINC000822203228 607307461 /nfs/dbraw/zinc/30/74/61/607307461.db2.gz JZPOCPAQGKSRFX-UHFFFAOYSA-N -1 3 360.780 3.018 20 0 FGADHM Cc1ccc(NC(=O)C2CC2)cc1NCc1ccc(-c2nnn[n-]2)s1 ZINC000822242694 607308496 /nfs/dbraw/zinc/30/84/96/607308496.db2.gz UQAYDMYHDFCKCV-UHFFFAOYSA-N -1 3 354.439 3.197 20 0 FGADHM c1nc2ccc(-c3nnn[n-]3)cn2c1CNc1ccc2oc(C3CC3)nc2c1 ZINC000823766629 607310258 /nfs/dbraw/zinc/31/02/58/607310258.db2.gz GQBYNSICCCGCNA-UHFFFAOYSA-N -1 3 372.392 3.145 20 0 FGADHM c1nc2ccc(-c3nn[n-]n3)cn2c1CNc1ccc2oc(C3CC3)nc2c1 ZINC000823766629 607310259 /nfs/dbraw/zinc/31/02/59/607310259.db2.gz GQBYNSICCCGCNA-UHFFFAOYSA-N -1 3 372.392 3.145 20 0 FGADHM Cc1ncc(-c2ccc(NCc3cnc4ccc(-c5nnn[n-]5)cn34)cc2)o1 ZINC000822467316 607311890 /nfs/dbraw/zinc/31/18/90/607311890.db2.gz LKLOQEQFRSWQAO-UHFFFAOYSA-N -1 3 372.392 3.090 20 0 FGADHM Cc1ncc(-c2ccc(NCc3cnc4ccc(-c5nn[n-]n5)cn34)cc2)o1 ZINC000822467316 607311891 /nfs/dbraw/zinc/31/18/91/607311891.db2.gz LKLOQEQFRSWQAO-UHFFFAOYSA-N -1 3 372.392 3.090 20 0 FGADHM C[C@H](Oc1cc(Cl)ccc1F)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736162881 599267565 /nfs/dbraw/zinc/26/75/65/599267565.db2.gz FABYHNKEWDFPDP-VIFPVBQESA-N -1 3 361.764 3.065 20 0 FGADHM C[C@H](Oc1cc(Cl)ccc1F)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736162881 599267566 /nfs/dbraw/zinc/26/75/66/599267566.db2.gz FABYHNKEWDFPDP-VIFPVBQESA-N -1 3 361.764 3.065 20 0 FGADHM CCC(CC)n1ccc(C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000820897521 607317586 /nfs/dbraw/zinc/31/75/86/607317586.db2.gz IDFJHPQEMJXORD-LBPRGKRZSA-N -1 3 354.414 3.342 20 0 FGADHM CCC(CC)n1ccc(C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000820897521 607317587 /nfs/dbraw/zinc/31/75/87/607317587.db2.gz IDFJHPQEMJXORD-LBPRGKRZSA-N -1 3 354.414 3.342 20 0 FGADHM Cc1csc([C@H](NC(=O)Nc2cc(-c3nnn[n-]3)ccc2C)C2CC2)n1 ZINC000822408716 599270959 /nfs/dbraw/zinc/27/09/59/599270959.db2.gz HCDLUEUVRPWDIR-CQSZACIVSA-N -1 3 369.454 3.213 20 0 FGADHM Cc1csc([C@H](NC(=O)Nc2cc(-c3nn[n-]n3)ccc2C)C2CC2)n1 ZINC000822408716 599270961 /nfs/dbraw/zinc/27/09/61/599270961.db2.gz HCDLUEUVRPWDIR-CQSZACIVSA-N -1 3 369.454 3.213 20 0 FGADHM CC[C@@H](C)C[C@H](C)NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000820869843 599277329 /nfs/dbraw/zinc/27/73/29/599277329.db2.gz JAYOKXDEODCBOQ-ZJUUUORDSA-N -1 3 368.388 3.414 20 0 FGADHM CC[C@@H](C)C[C@H](C)NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000820869843 599277330 /nfs/dbraw/zinc/27/73/30/599277330.db2.gz JAYOKXDEODCBOQ-ZJUUUORDSA-N -1 3 368.388 3.414 20 0 FGADHM Cc1ccc(NC(=O)COc2c(C)cc(-c3nn[n-]n3)cc2C)cc1C ZINC000737357745 599283644 /nfs/dbraw/zinc/28/36/44/599283644.db2.gz UNGFWZUZXXSARM-UHFFFAOYSA-N -1 3 351.410 3.118 20 0 FGADHM COc1cccc(-c2nc(Cn3cc(C)c(-c4nnn[n-]4)c3)cs2)c1 ZINC000821854229 607329204 /nfs/dbraw/zinc/32/92/04/607329204.db2.gz HZRQDACOLBYYSD-UHFFFAOYSA-N -1 3 352.423 3.157 20 0 FGADHM COc1cccc(-c2nc(Cn3cc(C)c(-c4nn[n-]n4)c3)cs2)c1 ZINC000821854229 607329205 /nfs/dbraw/zinc/32/92/05/607329205.db2.gz HZRQDACOLBYYSD-UHFFFAOYSA-N -1 3 352.423 3.157 20 0 FGADHM Cc1cn(CC(=O)N[C@@H](c2ccccc2)C2CCCC2)cc1-c1nnn[n-]1 ZINC000822384912 607329508 /nfs/dbraw/zinc/32/95/08/607329508.db2.gz UWZZBXBCHDXEIO-IBGZPJMESA-N -1 3 364.453 3.024 20 0 FGADHM Cc1cn(CC(=O)N[C@@H](c2ccccc2)C2CCCC2)cc1-c1nn[n-]n1 ZINC000822384912 607329509 /nfs/dbraw/zinc/32/95/09/607329509.db2.gz UWZZBXBCHDXEIO-IBGZPJMESA-N -1 3 364.453 3.024 20 0 FGADHM COCCCC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736977717 598231841 /nfs/dbraw/zinc/23/18/41/598231841.db2.gz BFPGIFGRZPAQHP-UHFFFAOYSA-N -1 3 353.382 3.024 20 0 FGADHM COCCCC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736977717 598231842 /nfs/dbraw/zinc/23/18/42/598231842.db2.gz BFPGIFGRZPAQHP-UHFFFAOYSA-N -1 3 353.382 3.024 20 0 FGADHM O=C(N[C@@H](c1ccc(F)cc1)C1CCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000737997801 598232659 /nfs/dbraw/zinc/23/26/59/598232659.db2.gz LPQROEFDKIDVRL-QGZVFWFLSA-N -1 3 351.385 3.277 20 0 FGADHM O=C(N[C@@H](c1ccc(F)cc1)C1CCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000737997801 598232661 /nfs/dbraw/zinc/23/26/61/598232661.db2.gz LPQROEFDKIDVRL-QGZVFWFLSA-N -1 3 351.385 3.277 20 0 FGADHM COc1ccc(CCCNc2ccc(-c3nn[n-]n3)cc2F)cc1OC ZINC000737089168 598242012 /nfs/dbraw/zinc/24/20/12/598242012.db2.gz QHFACXYHWBWMRT-UHFFFAOYSA-N -1 3 357.389 3.068 20 0 FGADHM C[C@@H](c1ccccc1F)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000736204535 598256279 /nfs/dbraw/zinc/25/62/79/598256279.db2.gz RGNCLJVJZOKEDF-ZDUSSCGKSA-N -1 3 370.407 3.028 20 0 FGADHM CCC[C@@H](NC(=O)Nc1cc(-c2nnn[n-]2)ccc1C)c1ccccn1 ZINC000736431422 598264876 /nfs/dbraw/zinc/26/48/76/598264876.db2.gz DVJSTMUQRCJGSQ-OAHLLOKOSA-N -1 3 351.414 3.233 20 0 FGADHM CCC[C@@H](NC(=O)Nc1cc(-c2nn[n-]n2)ccc1C)c1ccccn1 ZINC000736431422 598264878 /nfs/dbraw/zinc/26/48/78/598264878.db2.gz DVJSTMUQRCJGSQ-OAHLLOKOSA-N -1 3 351.414 3.233 20 0 FGADHM C[C@@H]1C[C@@H]1NC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736238826 598266535 /nfs/dbraw/zinc/26/65/35/598266535.db2.gz RRDXWNGANJMBLX-BZNIZROVSA-N -1 3 350.382 3.189 20 0 FGADHM C[C@@H]1C[C@@H]1NC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736238826 598266536 /nfs/dbraw/zinc/26/65/36/598266536.db2.gz RRDXWNGANJMBLX-BZNIZROVSA-N -1 3 350.382 3.189 20 0 FGADHM Cc1ccc([C@H](C)NC(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)o1 ZINC000737319918 598276896 /nfs/dbraw/zinc/27/68/96/598276896.db2.gz HGALNEUFIHHDMA-NSHDSACASA-N -1 3 357.418 3.207 20 0 FGADHM Cc1ccc([C@H](C)NC(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)o1 ZINC000737319918 598276897 /nfs/dbraw/zinc/27/68/97/598276897.db2.gz HGALNEUFIHHDMA-NSHDSACASA-N -1 3 357.418 3.207 20 0 FGADHM CC[C@H](NC(=S)Nc1ccccc1-c1nnn[n-]1)c1nc(C)cs1 ZINC000736368230 598277886 /nfs/dbraw/zinc/27/78/86/598277886.db2.gz BDTZEXVALUNYNZ-NSHDSACASA-N -1 3 359.484 3.069 20 0 FGADHM CC[C@H](NC(=S)Nc1ccccc1-c1nn[n-]n1)c1nc(C)cs1 ZINC000736368230 598277887 /nfs/dbraw/zinc/27/78/87/598277887.db2.gz BDTZEXVALUNYNZ-NSHDSACASA-N -1 3 359.484 3.069 20 0 FGADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc2scnc2c1 ZINC000736817522 598292485 /nfs/dbraw/zinc/29/24/85/598292485.db2.gz BTVQHKRZEVYJBQ-UHFFFAOYSA-N -1 3 365.422 3.140 20 0 FGADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc2scnc2c1 ZINC000736817522 598292486 /nfs/dbraw/zinc/29/24/86/598292486.db2.gz BTVQHKRZEVYJBQ-UHFFFAOYSA-N -1 3 365.422 3.140 20 0 FGADHM CN(C)C(=O)c1cccc(CSCc2cc(-c3nnn[n-]3)ccc2F)c1 ZINC000736753740 598313585 /nfs/dbraw/zinc/31/35/85/598313585.db2.gz OXYMZNOUEHAUDR-UHFFFAOYSA-N -1 3 371.441 3.141 20 0 FGADHM CN(C)C(=O)c1cccc(CSCc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC000736753740 598313587 /nfs/dbraw/zinc/31/35/87/598313587.db2.gz OXYMZNOUEHAUDR-UHFFFAOYSA-N -1 3 371.441 3.141 20 0 FGADHM CCCN(CC1CC1)C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736472376 598317076 /nfs/dbraw/zinc/31/70/76/598317076.db2.gz VHDOIFLFFRNXMT-UHFFFAOYSA-N -1 3 350.879 3.339 20 0 FGADHM CCCN(CC1CC1)C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736472376 598317077 /nfs/dbraw/zinc/31/70/77/598317077.db2.gz VHDOIFLFFRNXMT-UHFFFAOYSA-N -1 3 350.879 3.339 20 0 FGADHM CC(C)c1ccccc1NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000735932650 598321807 /nfs/dbraw/zinc/32/18/07/598321807.db2.gz OQLPAUDMKZVJCG-UHFFFAOYSA-N -1 3 354.389 3.451 20 0 FGADHM CC(C)c1ccccc1NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000735932650 598321809 /nfs/dbraw/zinc/32/18/09/598321809.db2.gz OQLPAUDMKZVJCG-UHFFFAOYSA-N -1 3 354.389 3.451 20 0 FGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)Nc1ccc2ccccc2c1 ZINC000738098744 598322649 /nfs/dbraw/zinc/32/26/49/598322649.db2.gz BHBJPWWLIOCKLR-UHFFFAOYSA-N -1 3 362.368 3.481 20 0 FGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)Nc1ccc2ccccc2c1 ZINC000738098744 598322651 /nfs/dbraw/zinc/32/26/51/598322651.db2.gz BHBJPWWLIOCKLR-UHFFFAOYSA-N -1 3 362.368 3.481 20 0 FGADHM CCC(=O)c1cccc(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000820842018 607350794 /nfs/dbraw/zinc/35/07/94/607350794.db2.gz IIVXFSGYZNENJP-UHFFFAOYSA-N -1 3 367.434 3.190 20 0 FGADHM CCC(=O)c1cccc(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000820842018 607350795 /nfs/dbraw/zinc/35/07/95/607350795.db2.gz IIVXFSGYZNENJP-UHFFFAOYSA-N -1 3 367.434 3.190 20 0 FGADHM C[C@@H](NC(=O)[C@H]1CCCc2sccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820323578 607352002 /nfs/dbraw/zinc/35/20/02/607352002.db2.gz YIUAFHMZOYNNBL-ABAIWWIYSA-N -1 3 353.451 3.226 20 0 FGADHM C[C@@H](NC(=O)[C@H]1CCCc2sccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820323578 607352004 /nfs/dbraw/zinc/35/20/04/607352004.db2.gz YIUAFHMZOYNNBL-ABAIWWIYSA-N -1 3 353.451 3.226 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)CCc1cc(C)cc(C)c1 ZINC000821756687 607352495 /nfs/dbraw/zinc/35/24/95/607352495.db2.gz QTBWXNBCJLBPHL-UHFFFAOYSA-N -1 3 351.410 3.063 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)CCc1cc(C)cc(C)c1 ZINC000821756687 607352497 /nfs/dbraw/zinc/35/24/97/607352497.db2.gz QTBWXNBCJLBPHL-UHFFFAOYSA-N -1 3 351.410 3.063 20 0 FGADHM CCC(C)(C)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000736312066 598364924 /nfs/dbraw/zinc/36/49/24/598364924.db2.gz FDZCZLAHSGSUCO-UHFFFAOYSA-N -1 3 352.398 3.429 20 0 FGADHM Cc1ccc(NC(=O)Cc2ccc(-c3nnn[n-]3)cc2)cc1OCC(F)F ZINC000737358078 598366880 /nfs/dbraw/zinc/36/68/80/598366880.db2.gz XHXVAMBKVWFBSS-UHFFFAOYSA-N -1 3 373.363 3.000 20 0 FGADHM Cc1ccc(NC(=O)Cc2ccc(-c3nn[n-]n3)cc2)cc1OCC(F)F ZINC000737358078 598366883 /nfs/dbraw/zinc/36/68/83/598366883.db2.gz XHXVAMBKVWFBSS-UHFFFAOYSA-N -1 3 373.363 3.000 20 0 FGADHM Cc1ccc(SC[C@H](O)COc2ccc(-c3nn[n-]n3)cc2)c(C)c1 ZINC000737368840 598369528 /nfs/dbraw/zinc/36/95/28/598369528.db2.gz NJHRJWMVQPBTTM-OAHLLOKOSA-N -1 3 356.451 3.016 20 0 FGADHM CCOc1ccc(CNC(=O)Nc2cc(-c3nnn[n-]3)ccc2C)cc1F ZINC000736643031 598372535 /nfs/dbraw/zinc/37/25/35/598372535.db2.gz BYAWXBUICYWBJJ-UHFFFAOYSA-N -1 3 370.388 3.035 20 0 FGADHM CCOc1ccc(CNC(=O)Nc2cc(-c3nn[n-]n3)ccc2C)cc1F ZINC000736643031 598372537 /nfs/dbraw/zinc/37/25/37/598372537.db2.gz BYAWXBUICYWBJJ-UHFFFAOYSA-N -1 3 370.388 3.035 20 0 FGADHM COc1ccc(C[C@@H](C)Nc2ccc(-c3nn[n-]n3)cc2F)cc1OC ZINC000737085836 598388008 /nfs/dbraw/zinc/38/80/08/598388008.db2.gz BXESERWNNKNJOT-LLVKDONJSA-N -1 3 357.389 3.066 20 0 FGADHM Fc1ccc2c(c1)[C@@H](Nc1ncc(-c3nnn[n-]3)cc1Cl)CCCO2 ZINC000737664003 598391425 /nfs/dbraw/zinc/39/14/25/598391425.db2.gz AOSWGFDSKQEFCC-ZDUSSCGKSA-N -1 3 360.780 3.380 20 0 FGADHM Fc1ccc2c(c1)[C@@H](Nc1ncc(-c3nn[n-]n3)cc1Cl)CCCO2 ZINC000737664003 598391427 /nfs/dbraw/zinc/39/14/27/598391427.db2.gz AOSWGFDSKQEFCC-ZDUSSCGKSA-N -1 3 360.780 3.380 20 0 FGADHM C[C@@H]1c2ccccc2CCN1C(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000736305494 598393837 /nfs/dbraw/zinc/39/38/37/598393837.db2.gz ULUKJXAQCVIYIC-GFCCVEGCSA-N -1 3 350.451 3.183 20 0 FGADHM C[C@@H]1c2ccccc2CCN1C(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000736305494 598393839 /nfs/dbraw/zinc/39/38/39/598393839.db2.gz ULUKJXAQCVIYIC-GFCCVEGCSA-N -1 3 350.451 3.183 20 0 FGADHM COc1ccccc1C[C@@H](C)CC(=O)N(C)c1cccc(-c2nnn[n-]2)c1 ZINC000737154307 598421609 /nfs/dbraw/zinc/42/16/09/598421609.db2.gz ZXYXKOALJCFGCZ-CQSZACIVSA-N -1 3 365.437 3.107 20 0 FGADHM COc1ccccc1C[C@@H](C)CC(=O)N(C)c1cccc(-c2nn[n-]n2)c1 ZINC000737154307 598421610 /nfs/dbraw/zinc/42/16/10/598421610.db2.gz ZXYXKOALJCFGCZ-CQSZACIVSA-N -1 3 365.437 3.107 20 0 FGADHM Fc1cc(-c2nnn[n-]2)ccc1CSc1nnc(Cc2cccs2)o1 ZINC000737641980 598439743 /nfs/dbraw/zinc/43/97/43/598439743.db2.gz ZXPAZUTZVMMGAR-UHFFFAOYSA-N -1 3 374.426 3.333 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1CSc1nnc(Cc2cccs2)o1 ZINC000737641980 598439744 /nfs/dbraw/zinc/43/97/44/598439744.db2.gz ZXPAZUTZVMMGAR-UHFFFAOYSA-N -1 3 374.426 3.333 20 0 FGADHM c1csc(Cc2nnc(SCc3ccccc3-c3nnn[n-]3)o2)c1 ZINC000738453031 598440635 /nfs/dbraw/zinc/44/06/35/598440635.db2.gz TZQXINRNVXPIEW-UHFFFAOYSA-N -1 3 356.436 3.194 20 0 FGADHM c1csc(Cc2nnc(SCc3ccccc3-c3nn[n-]n3)o2)c1 ZINC000738453031 598440637 /nfs/dbraw/zinc/44/06/37/598440637.db2.gz TZQXINRNVXPIEW-UHFFFAOYSA-N -1 3 356.436 3.194 20 0 FGADHM COC(C)(C)C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736957827 598449955 /nfs/dbraw/zinc/44/99/55/598449955.db2.gz LIBQWBZNHUETBD-UHFFFAOYSA-N -1 3 353.382 3.023 20 0 FGADHM COC(C)(C)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736957827 598449957 /nfs/dbraw/zinc/44/99/57/598449957.db2.gz LIBQWBZNHUETBD-UHFFFAOYSA-N -1 3 353.382 3.023 20 0 FGADHM FC(F)(F)COc1ccccc1OCc1ccc(-c2nnn[n-]2)cc1 ZINC000737628582 598459384 /nfs/dbraw/zinc/45/93/84/598459384.db2.gz XWRXQGJCOXKKIC-UHFFFAOYSA-N -1 3 350.300 3.387 20 0 FGADHM FC(F)(F)COc1ccccc1OCc1ccc(-c2nn[n-]n2)cc1 ZINC000737628582 598459385 /nfs/dbraw/zinc/45/93/85/598459385.db2.gz XWRXQGJCOXKKIC-UHFFFAOYSA-N -1 3 350.300 3.387 20 0 FGADHM O=C(Nc1cccc(F)c1F)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000738183858 598477446 /nfs/dbraw/zinc/47/74/46/598477446.db2.gz OVGVJYAHBGPBPH-UHFFFAOYSA-N -1 3 370.363 3.341 20 0 FGADHM O=C(Nc1cccc(F)c1F)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000738183858 598477447 /nfs/dbraw/zinc/47/74/47/598477447.db2.gz OVGVJYAHBGPBPH-UHFFFAOYSA-N -1 3 370.363 3.341 20 0 FGADHM Cc1ccn(-c2ccc(C(=O)O[C@@H](C)c3cccc(-c4nnn[n-]4)c3)cc2)n1 ZINC000737434825 598485257 /nfs/dbraw/zinc/48/52/57/598485257.db2.gz CPYFYUBOCUBSHI-AWEZNQCLSA-N -1 3 374.404 3.279 20 0 FGADHM Cc1ccn(-c2ccc(C(=O)O[C@@H](C)c3cccc(-c4nn[n-]n4)c3)cc2)n1 ZINC000737434825 598485259 /nfs/dbraw/zinc/48/52/59/598485259.db2.gz CPYFYUBOCUBSHI-AWEZNQCLSA-N -1 3 374.404 3.279 20 0 FGADHM CC(=O)Nc1cc(C(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)ccc1C ZINC000735481279 598485494 /nfs/dbraw/zinc/48/54/94/598485494.db2.gz ICRQWORNZZUUQK-GFCCVEGCSA-N -1 3 365.393 3.052 20 0 FGADHM CC(=O)Nc1cc(C(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)ccc1C ZINC000735481279 598485495 /nfs/dbraw/zinc/48/54/95/598485495.db2.gz ICRQWORNZZUUQK-GFCCVEGCSA-N -1 3 365.393 3.052 20 0 FGADHM C[C@H](OC(=O)COc1ccc2c(c1)CCC2)c1cccc(-c2nnn[n-]2)c1 ZINC000736154709 598491803 /nfs/dbraw/zinc/49/18/03/598491803.db2.gz ANZBFLSXDDMUEE-ZDUSSCGKSA-N -1 3 364.405 3.039 20 0 FGADHM C[C@H](OC(=O)COc1ccc2c(c1)CCC2)c1cccc(-c2nn[n-]n2)c1 ZINC000736154709 598491804 /nfs/dbraw/zinc/49/18/04/598491804.db2.gz ANZBFLSXDDMUEE-ZDUSSCGKSA-N -1 3 364.405 3.039 20 0 FGADHM CC[C@H](Sc1ccc(-c2nnn[n-]2)cn1)C(=O)c1ccc(OC)cc1 ZINC000736392366 598492110 /nfs/dbraw/zinc/49/21/10/598492110.db2.gz RFLOBJXABNPXCH-AWEZNQCLSA-N -1 3 355.423 3.024 20 0 FGADHM CC[C@H](Sc1ccc(-c2nn[n-]n2)cn1)C(=O)c1ccc(OC)cc1 ZINC000736392366 598492111 /nfs/dbraw/zinc/49/21/11/598492111.db2.gz RFLOBJXABNPXCH-AWEZNQCLSA-N -1 3 355.423 3.024 20 0 FGADHM CC(=O)Nc1cccc2c1CCN(c1ccc(Cl)cc1-c1nnn[n-]1)C2 ZINC000735488264 598507062 /nfs/dbraw/zinc/50/70/62/598507062.db2.gz IYIDHAAYBAGOKE-UHFFFAOYSA-N -1 3 368.828 3.041 20 0 FGADHM CC(=O)Nc1cccc2c1CCN(c1ccc(Cl)cc1-c1nn[n-]n1)C2 ZINC000735488264 598507064 /nfs/dbraw/zinc/50/70/64/598507064.db2.gz IYIDHAAYBAGOKE-UHFFFAOYSA-N -1 3 368.828 3.041 20 0 FGADHM CC(C)CC[C@@H]1CCC[C@H]1NC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000735796882 598526738 /nfs/dbraw/zinc/52/67/38/598526738.db2.gz JPHORQGYPZSSAU-DOTOQJQBSA-N -1 3 356.474 3.271 20 0 FGADHM CC(C)CC[C@@H]1CCC[C@H]1NC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000735796882 598526739 /nfs/dbraw/zinc/52/67/39/598526739.db2.gz JPHORQGYPZSSAU-DOTOQJQBSA-N -1 3 356.474 3.271 20 0 FGADHM CCN(Cc1noc2c1CCCC2)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736564567 598537705 /nfs/dbraw/zinc/53/77/05/598537705.db2.gz HYOVEAUHZZVINT-ZDUSSCGKSA-N -1 3 352.442 3.317 20 0 FGADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)O[C@H]1CCc2ccc(Cl)cc21 ZINC000737956441 598538047 /nfs/dbraw/zinc/53/80/47/598538047.db2.gz YNGLQQRMFFFHNK-INIZCTEOSA-N -1 3 354.797 3.293 20 0 FGADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)O[C@H]1CCc2ccc(Cl)cc21 ZINC000737956441 598538049 /nfs/dbraw/zinc/53/80/49/598538049.db2.gz YNGLQQRMFFFHNK-INIZCTEOSA-N -1 3 354.797 3.293 20 0 FGADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)O[C@@H]1CCc2ccc(Cl)cc21 ZINC000737956442 598538120 /nfs/dbraw/zinc/53/81/20/598538120.db2.gz YNGLQQRMFFFHNK-MRXNPFEDSA-N -1 3 354.797 3.293 20 0 FGADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)O[C@@H]1CCc2ccc(Cl)cc21 ZINC000737956442 598538121 /nfs/dbraw/zinc/53/81/21/598538121.db2.gz YNGLQQRMFFFHNK-MRXNPFEDSA-N -1 3 354.797 3.293 20 0 FGADHM O=C(Nc1ccccc1)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000738190289 598538382 /nfs/dbraw/zinc/53/83/82/598538382.db2.gz CGLQGFANEGMVSS-UHFFFAOYSA-N -1 3 361.361 3.291 20 0 FGADHM Cc1ccc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)c(C)c1 ZINC000737316482 598546598 /nfs/dbraw/zinc/54/65/98/598546598.db2.gz XATUNTWLPDOJJZ-UHFFFAOYSA-N -1 3 359.336 3.337 20 0 FGADHM Cc1ccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)c(C)c1 ZINC000737316482 598546599 /nfs/dbraw/zinc/54/65/99/598546599.db2.gz XATUNTWLPDOJJZ-UHFFFAOYSA-N -1 3 359.336 3.337 20 0 FGADHM Cc1cc2oc(=O)cc(COc3ccc(-c4nnn[n-]4)c(F)c3)c2cc1C ZINC000737284353 598550343 /nfs/dbraw/zinc/55/03/43/598550343.db2.gz JUFAVPKYIRLDPP-UHFFFAOYSA-N -1 3 366.352 3.308 20 0 FGADHM Cc1cc2oc(=O)cc(COc3ccc(-c4nn[n-]n4)c(F)c3)c2cc1C ZINC000737284353 598550344 /nfs/dbraw/zinc/55/03/44/598550344.db2.gz JUFAVPKYIRLDPP-UHFFFAOYSA-N -1 3 366.352 3.308 20 0 FGADHM CCn1c(COc2ccc(-c3nnn[n-]3)c(F)c2)nc2cc(F)ccc21 ZINC000736713640 598550457 /nfs/dbraw/zinc/55/04/57/598550457.db2.gz KCDSLKUYOVYOCL-UHFFFAOYSA-N -1 3 356.336 3.094 20 0 FGADHM CCn1c(COc2ccc(-c3nn[n-]n3)c(F)c2)nc2cc(F)ccc21 ZINC000736713640 598550458 /nfs/dbraw/zinc/55/04/58/598550458.db2.gz KCDSLKUYOVYOCL-UHFFFAOYSA-N -1 3 356.336 3.094 20 0 FGADHM CC(C)COc1ccccc1C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000735844062 598551573 /nfs/dbraw/zinc/55/15/73/598551573.db2.gz GNGIDCMIDYSRCH-AWEZNQCLSA-N -1 3 365.437 3.393 20 0 FGADHM CC(C)COc1ccccc1C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000735844062 598551574 /nfs/dbraw/zinc/55/15/74/598551574.db2.gz GNGIDCMIDYSRCH-AWEZNQCLSA-N -1 3 365.437 3.393 20 0 FGADHM CC(C)[C@@H]1CCCN1C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000735749635 598561797 /nfs/dbraw/zinc/56/17/97/598561797.db2.gz NTYURTQPKTVMAL-LBPRGKRZSA-N -1 3 366.372 3.120 20 0 FGADHM CC(C)[C@@H]1CCCN1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000735749635 598561798 /nfs/dbraw/zinc/56/17/98/598561798.db2.gz NTYURTQPKTVMAL-LBPRGKRZSA-N -1 3 366.372 3.120 20 0 FGADHM CN(Cc1ccc(C(F)(F)F)cc1)c1nc2ccccn2c1-c1nnn[n-]1 ZINC000736817426 598566037 /nfs/dbraw/zinc/56/60/37/598566037.db2.gz YRHJPZGYBGTERL-UHFFFAOYSA-N -1 3 373.342 3.170 20 0 FGADHM CN(Cc1ccc(C(F)(F)F)cc1)c1nc2ccccn2c1-c1nn[n-]n1 ZINC000736817426 598566038 /nfs/dbraw/zinc/56/60/38/598566038.db2.gz YRHJPZGYBGTERL-UHFFFAOYSA-N -1 3 373.342 3.170 20 0 FGADHM Cc1ccc(C)c(NC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737322159 598569036 /nfs/dbraw/zinc/56/90/36/598569036.db2.gz ILNNWLIJVCHEFR-SFHVURJKSA-N -1 3 362.437 3.091 20 0 FGADHM Cc1cccc(OC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000737400241 598574975 /nfs/dbraw/zinc/57/49/75/598574975.db2.gz QUTWRZXKWJORFT-KRWDZBQOSA-N -1 3 363.421 3.058 20 0 FGADHM S=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CCC[C@H]1C1CCC1 ZINC000738400268 598581475 /nfs/dbraw/zinc/58/14/75/598581475.db2.gz CKBFDJBFZAJDEZ-AWEZNQCLSA-N -1 3 362.890 3.481 20 0 FGADHM S=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CCC[C@H]1C1CCC1 ZINC000738400268 598581477 /nfs/dbraw/zinc/58/14/77/598581477.db2.gz CKBFDJBFZAJDEZ-AWEZNQCLSA-N -1 3 362.890 3.481 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OCc1ncc(-c2cccs2)o1 ZINC000737031976 598581649 /nfs/dbraw/zinc/58/16/49/598581649.db2.gz IDMITCZRCFSNEL-UHFFFAOYSA-N -1 3 355.379 3.171 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OCc1ncc(-c2cccs2)o1 ZINC000737031976 598581651 /nfs/dbraw/zinc/58/16/51/598581651.db2.gz IDMITCZRCFSNEL-UHFFFAOYSA-N -1 3 355.379 3.171 20 0 FGADHM Cc1ccc(-c2nc(C(=O)Nc3ccc(F)c(-c4nnn[n-]4)c3)cs2)o1 ZINC000737287224 598586392 /nfs/dbraw/zinc/58/63/92/598586392.db2.gz FHCIQWYBSJZZJN-UHFFFAOYSA-N -1 3 370.369 3.283 20 0 FGADHM Cc1ccc(-c2nc(C(=O)Nc3ccc(F)c(-c4nn[n-]n4)c3)cs2)o1 ZINC000737287224 598586393 /nfs/dbraw/zinc/58/63/93/598586393.db2.gz FHCIQWYBSJZZJN-UHFFFAOYSA-N -1 3 370.369 3.283 20 0 FGADHM O=C(c1sccc1-c1nnn[n-]1)N1CCCc2cc(Cl)cc(F)c21 ZINC000738292359 598588297 /nfs/dbraw/zinc/58/82/97/598588297.db2.gz ZMXDCWPQINZIDN-UHFFFAOYSA-N -1 3 363.805 3.314 20 0 FGADHM O=C(c1sccc1-c1nn[n-]n1)N1CCCc2cc(Cl)cc(F)c21 ZINC000738292359 598588298 /nfs/dbraw/zinc/58/82/98/598588298.db2.gz ZMXDCWPQINZIDN-UHFFFAOYSA-N -1 3 363.805 3.314 20 0 FGADHM O=C1[C@@H](SCc2ccc(F)cc2-c2nnn[n-]2)CCN1c1ccccc1 ZINC000738296032 598597355 /nfs/dbraw/zinc/59/73/55/598597355.db2.gz JDPJQAWQNNBVBX-INIZCTEOSA-N -1 3 369.425 3.045 20 0 FGADHM O=C1[C@@H](SCc2ccc(F)cc2-c2nn[n-]n2)CCN1c1ccccc1 ZINC000738296032 598597357 /nfs/dbraw/zinc/59/73/57/598597357.db2.gz JDPJQAWQNNBVBX-INIZCTEOSA-N -1 3 369.425 3.045 20 0 FGADHM C[C@@H](COc1cccc(F)c1)OC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000736037017 598606862 /nfs/dbraw/zinc/60/68/62/598606862.db2.gz BXDGQGZQYGBYGX-XPSMFNQNSA-N -1 3 368.368 3.030 20 0 FGADHM C[C@@H](COc1cccc(F)c1)OC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000736037017 598606864 /nfs/dbraw/zinc/60/68/64/598606864.db2.gz BXDGQGZQYGBYGX-XPSMFNQNSA-N -1 3 368.368 3.030 20 0 FGADHM CCC[C@@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1)C1CCCCC1 ZINC000736431418 598607114 /nfs/dbraw/zinc/60/71/14/598607114.db2.gz DQZDVHYERJTYLG-QGZVFWFLSA-N -1 3 356.474 3.415 20 0 FGADHM CCC[C@@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1)C1CCCCC1 ZINC000736431418 598607116 /nfs/dbraw/zinc/60/71/16/598607116.db2.gz DQZDVHYERJTYLG-QGZVFWFLSA-N -1 3 356.474 3.415 20 0 FGADHM COc1ccc(-c2noc([C@H](C)Oc3ccccc3-c3nnn[n-]3)n2)cc1 ZINC000737061645 598609778 /nfs/dbraw/zinc/60/97/78/598609778.db2.gz BXNBPTDRRLEJIT-NSHDSACASA-N -1 3 364.365 3.065 20 0 FGADHM COc1ccc(-c2noc([C@H](C)Oc3ccccc3-c3nn[n-]n3)n2)cc1 ZINC000737061645 598609780 /nfs/dbraw/zinc/60/97/80/598609780.db2.gz BXNBPTDRRLEJIT-NSHDSACASA-N -1 3 364.365 3.065 20 0 FGADHM Cc1ccc(C)c(N(C(C)C)S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000737321027 598622101 /nfs/dbraw/zinc/62/21/01/598622101.db2.gz BKWZCCVPIJSDRA-UHFFFAOYSA-N -1 3 371.466 3.087 20 0 FGADHM Cc1ccc(C)c(N(C(C)C)S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737321027 598622102 /nfs/dbraw/zinc/62/21/02/598622102.db2.gz BKWZCCVPIJSDRA-UHFFFAOYSA-N -1 3 371.466 3.087 20 0 FGADHM Cc1ccccc1C[C@H](C)NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737425573 598627880 /nfs/dbraw/zinc/62/78/80/598627880.db2.gz ASTQWABFMPXYAR-LBPRGKRZSA-N -1 3 354.389 3.067 20 0 FGADHM Cc1ccccc1C[C@H](C)NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737425573 598627881 /nfs/dbraw/zinc/62/78/81/598627881.db2.gz ASTQWABFMPXYAR-LBPRGKRZSA-N -1 3 354.389 3.067 20 0 FGADHM C[C@@H]1CN(c2c(Cl)cccc2-c2nnn[n-]2)C[C@H](c2ccccc2)O1 ZINC000736287784 598634376 /nfs/dbraw/zinc/63/43/76/598634376.db2.gz FNADPXNKFLZJEC-MLGOLLRUSA-N -1 3 355.829 3.487 20 0 FGADHM C[C@@H]1CN(c2c(Cl)cccc2-c2nn[n-]n2)C[C@H](c2ccccc2)O1 ZINC000736287784 598634378 /nfs/dbraw/zinc/63/43/78/598634378.db2.gz FNADPXNKFLZJEC-MLGOLLRUSA-N -1 3 355.829 3.487 20 0 FGADHM CN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736816273 598634515 /nfs/dbraw/zinc/63/45/15/598634515.db2.gz DFGAAVZIIGXNKT-UHFFFAOYSA-N -1 3 366.809 3.385 20 0 FGADHM CN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736816273 598634516 /nfs/dbraw/zinc/63/45/16/598634516.db2.gz DFGAAVZIIGXNKT-UHFFFAOYSA-N -1 3 366.809 3.385 20 0 FGADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)Oc1c(F)cccc1F ZINC000737841975 598649162 /nfs/dbraw/zinc/64/91/62/598649162.db2.gz ROGGFUSTGCCYIT-UHFFFAOYSA-N -1 3 374.347 3.300 20 0 FGADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)Oc1c(F)cccc1F ZINC000737841975 598649164 /nfs/dbraw/zinc/64/91/64/598649164.db2.gz ROGGFUSTGCCYIT-UHFFFAOYSA-N -1 3 374.347 3.300 20 0 FGADHM CC(=CC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1)c1cccc(F)c1 ZINC000735449884 598649388 /nfs/dbraw/zinc/64/93/88/598649388.db2.gz UVVYIPXRXDDLFJ-KXXVWKPMSA-N -1 3 351.385 3.287 20 0 FGADHM CC(=CC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1)c1cccc(F)c1 ZINC000735449884 598649389 /nfs/dbraw/zinc/64/93/89/598649389.db2.gz UVVYIPXRXDDLFJ-KXXVWKPMSA-N -1 3 351.385 3.287 20 0 FGADHM Clc1cc(NCc2cnn(Cc3ccccc3)c2)ccc1-c1nnn[n-]1 ZINC000737563917 598651943 /nfs/dbraw/zinc/65/19/43/598651943.db2.gz IGECLNKCRZMVPQ-UHFFFAOYSA-N -1 3 365.828 3.377 20 0 FGADHM Clc1cc(NCc2cnn(Cc3ccccc3)c2)ccc1-c1nn[n-]n1 ZINC000737563917 598651945 /nfs/dbraw/zinc/65/19/45/598651945.db2.gz IGECLNKCRZMVPQ-UHFFFAOYSA-N -1 3 365.828 3.377 20 0 FGADHM C[C@H]1CCN(C(=O)CSc2ccc(-c3nnn[n-]3)cc2)c2ccccc21 ZINC000736279254 598653016 /nfs/dbraw/zinc/65/30/16/598653016.db2.gz WXMOBOBWSXUKGK-ZDUSSCGKSA-N -1 3 365.462 3.499 20 0 FGADHM C[C@H]1CCN(C(=O)CSc2ccc(-c3nn[n-]n3)cc2)c2ccccc21 ZINC000736279254 598653018 /nfs/dbraw/zinc/65/30/18/598653018.db2.gz WXMOBOBWSXUKGK-ZDUSSCGKSA-N -1 3 365.462 3.499 20 0 FGADHM CN(Cc1ccn(-c2ccccc2)n1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736829543 598654807 /nfs/dbraw/zinc/65/48/07/598654807.db2.gz GIMJRDCLUSPELA-UHFFFAOYSA-N -1 3 365.828 3.342 20 0 FGADHM CN(Cc1ccn(-c2ccccc2)n1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736829543 598654809 /nfs/dbraw/zinc/65/48/09/598654809.db2.gz GIMJRDCLUSPELA-UHFFFAOYSA-N -1 3 365.828 3.342 20 0 FGADHM C[C@@H](CNC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)C1CC1 ZINC000736026005 598656809 /nfs/dbraw/zinc/65/68/09/598656809.db2.gz LHLMCQKLBXMDAM-ZDUSSCGKSA-N -1 3 363.421 3.435 20 0 FGADHM C[C@@H](CNC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)C1CC1 ZINC000736026005 598656811 /nfs/dbraw/zinc/65/68/11/598656811.db2.gz LHLMCQKLBXMDAM-ZDUSSCGKSA-N -1 3 363.421 3.435 20 0 FGADHM CSCc1ccc(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737182152 598658428 /nfs/dbraw/zinc/65/84/28/598658428.db2.gz PLCYGJATIQWPEK-UHFFFAOYSA-N -1 3 371.491 3.461 20 0 FGADHM CSCc1ccc(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737182152 598658430 /nfs/dbraw/zinc/65/84/30/598658430.db2.gz PLCYGJATIQWPEK-UHFFFAOYSA-N -1 3 371.491 3.461 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cn1)c1sccc1-c1ccc(F)cc1 ZINC000738150368 598658444 /nfs/dbraw/zinc/65/84/44/598658444.db2.gz JMSUASWZHCMTOV-UHFFFAOYSA-N -1 3 366.381 3.382 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cn1)c1sccc1-c1ccc(F)cc1 ZINC000738150368 598658445 /nfs/dbraw/zinc/65/84/45/598658445.db2.gz JMSUASWZHCMTOV-UHFFFAOYSA-N -1 3 366.381 3.382 20 0 FGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)Nc1cc(F)ccc1Cl ZINC000737939736 598661141 /nfs/dbraw/zinc/66/11/41/598661141.db2.gz BKLMQTXLBGLHNG-UHFFFAOYSA-N -1 3 363.805 3.390 20 0 FGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)Nc1cc(F)ccc1Cl ZINC000737939736 598661143 /nfs/dbraw/zinc/66/11/43/598661143.db2.gz BKLMQTXLBGLHNG-UHFFFAOYSA-N -1 3 363.805 3.390 20 0 FGADHM CCCN(C(=O)COc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)cc1 ZINC000736470630 598668210 /nfs/dbraw/zinc/66/82/10/598668210.db2.gz SMHWCCASHIRVSH-UHFFFAOYSA-N -1 3 371.828 3.342 20 0 FGADHM C[C@@H]1Cc2ccccc2[C@H]1NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736297508 598671809 /nfs/dbraw/zinc/67/18/09/598671809.db2.gz NDHNRTGTUCAWJS-XIKOKIGWSA-N -1 3 365.462 3.009 20 0 FGADHM C[C@@H]1Cc2ccccc2[C@H]1NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736297508 598671811 /nfs/dbraw/zinc/67/18/11/598671811.db2.gz NDHNRTGTUCAWJS-XIKOKIGWSA-N -1 3 365.462 3.009 20 0 FGADHM Cc1cc(NCC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)ccc1F ZINC000737273602 598677005 /nfs/dbraw/zinc/67/70/05/598677005.db2.gz GSRDLMSIOJDXFF-UHFFFAOYSA-N -1 3 360.780 3.018 20 0 FGADHM Cc1cc(NCC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)ccc1F ZINC000737273602 598677007 /nfs/dbraw/zinc/67/70/07/598677007.db2.gz GSRDLMSIOJDXFF-UHFFFAOYSA-N -1 3 360.780 3.018 20 0 FGADHM Clc1ccc([C@@H]2CCN(c3nc4c(cc3-c3nnn[n-]3)CCC4)C2)cc1 ZINC000737571078 598680545 /nfs/dbraw/zinc/68/05/45/598680545.db2.gz QQTCNZHKXSADGZ-CQSZACIVSA-N -1 3 366.856 3.398 20 0 FGADHM Clc1ccc([C@@H]2CCN(c3nc4c(cc3-c3nn[n-]n3)CCC4)C2)cc1 ZINC000737571078 598680546 /nfs/dbraw/zinc/68/05/46/598680546.db2.gz QQTCNZHKXSADGZ-CQSZACIVSA-N -1 3 366.856 3.398 20 0 FGADHM Fc1ccc(CN(Cc2ccc(F)cc2-c2nn[n-]n2)C2CC2)c(F)c1 ZINC000737647391 598682465 /nfs/dbraw/zinc/68/24/65/598682465.db2.gz CTQCGAPMSVFFKA-UHFFFAOYSA-N -1 3 359.355 3.449 20 0 FGADHM Cc1nc2ccccc2cc1C(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737490136 598704932 /nfs/dbraw/zinc/70/49/32/598704932.db2.gz QBYFLEFHJOFKIH-UHFFFAOYSA-N -1 3 363.352 3.219 20 0 FGADHM Cc1nc2ccccc2cc1C(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737490136 598704933 /nfs/dbraw/zinc/70/49/33/598704933.db2.gz QBYFLEFHJOFKIH-UHFFFAOYSA-N -1 3 363.352 3.219 20 0 FGADHM CC(C)Cc1nc(C(=O)OCc2ccc(F)cc2-c2nnn[n-]2)cs1 ZINC000735851480 598710169 /nfs/dbraw/zinc/71/01/69/598710169.db2.gz WZZMUGWDZHXYMQ-UHFFFAOYSA-N -1 3 361.402 3.018 20 0 FGADHM CC(C)Cc1nc(C(=O)OCc2ccc(F)cc2-c2nn[n-]n2)cs1 ZINC000735851480 598710170 /nfs/dbraw/zinc/71/01/70/598710170.db2.gz WZZMUGWDZHXYMQ-UHFFFAOYSA-N -1 3 361.402 3.018 20 0 FGADHM COc1ccc(CCCC(=O)OCc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000737088713 598711171 /nfs/dbraw/zinc/71/11/71/598711171.db2.gz OGADCPYBYOERMB-UHFFFAOYSA-N -1 3 370.384 3.081 20 0 FGADHM COc1ccc(CCCC(=O)OCc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000737088713 598711172 /nfs/dbraw/zinc/71/11/72/598711172.db2.gz OGADCPYBYOERMB-UHFFFAOYSA-N -1 3 370.384 3.081 20 0 FGADHM CC(=CC(=O)OCc1cc(-c2nnn[n-]2)ccc1F)c1cccc(F)c1 ZINC000735447117 598724067 /nfs/dbraw/zinc/72/40/67/598724067.db2.gz JADUVHPLLGSKRQ-YRNVUSSQSA-N -1 3 356.332 3.292 20 0 FGADHM CC(=CC(=O)OCc1cc(-c2nn[n-]n2)ccc1F)c1cccc(F)c1 ZINC000735447117 598724068 /nfs/dbraw/zinc/72/40/68/598724068.db2.gz JADUVHPLLGSKRQ-YRNVUSSQSA-N -1 3 356.332 3.292 20 0 FGADHM O=C(OCc1ccccc1-c1nnn[n-]1)c1ccc2[nH]c(C(F)F)nc2c1 ZINC000738235898 598736641 /nfs/dbraw/zinc/73/66/41/598736641.db2.gz YKMDMOWDQOHBLV-UHFFFAOYSA-N -1 3 370.319 3.038 20 0 FGADHM O=C(OCc1ccccc1-c1nn[n-]n1)c1ccc2[nH]c(C(F)F)nc2c1 ZINC000738235898 598736642 /nfs/dbraw/zinc/73/66/42/598736642.db2.gz YKMDMOWDQOHBLV-UHFFFAOYSA-N -1 3 370.319 3.038 20 0 FGADHM CC(C)c1ccccc1NC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000736187213 598762219 /nfs/dbraw/zinc/76/22/19/598762219.db2.gz GKWZNADRRXIWKL-ZDUSSCGKSA-N -1 3 351.410 3.396 20 0 FGADHM CC(C)c1ccccc1NC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000736187213 598762220 /nfs/dbraw/zinc/76/22/20/598762220.db2.gz GKWZNADRRXIWKL-ZDUSSCGKSA-N -1 3 351.410 3.396 20 0 FGADHM Cc1ncc(C=CC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)s1 ZINC000737491093 598763818 /nfs/dbraw/zinc/76/38/18/598763818.db2.gz ZZZMXPJQZOXMKY-SREVYHEPSA-N -1 3 372.479 3.224 20 0 FGADHM Cc1ncc(C=CC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)s1 ZINC000737491093 598763820 /nfs/dbraw/zinc/76/38/20/598763820.db2.gz ZZZMXPJQZOXMKY-SREVYHEPSA-N -1 3 372.479 3.224 20 0 FGADHM CC1(C)C[C@@H]1CNC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736210813 598768782 /nfs/dbraw/zinc/76/87/82/598768782.db2.gz IYVSUKRYGFIDNY-OAHLLOKOSA-N -1 3 363.421 3.435 20 0 FGADHM CC1(C)C[C@@H]1CNC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736210813 598768784 /nfs/dbraw/zinc/76/87/84/598768784.db2.gz IYVSUKRYGFIDNY-OAHLLOKOSA-N -1 3 363.421 3.435 20 0 FGADHM Fc1cc(F)c2ncc(-c3nnn[n-]3)c(NCCc3cccs3)c2c1 ZINC000737650250 598771210 /nfs/dbraw/zinc/77/12/10/598771210.db2.gz GUXZEGNHXCCLKK-UHFFFAOYSA-N -1 3 358.377 3.409 20 0 FGADHM Fc1cc(F)c2ncc(-c3nn[n-]n3)c(NCCc3cccs3)c2c1 ZINC000737650250 598771211 /nfs/dbraw/zinc/77/12/11/598771211.db2.gz GUXZEGNHXCCLKK-UHFFFAOYSA-N -1 3 358.377 3.409 20 0 FGADHM CC(C)CC(CC(C)C)NC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000735760440 598776774 /nfs/dbraw/zinc/77/67/74/598776774.db2.gz BYXXYWQILAVORH-UHFFFAOYSA-N -1 3 358.490 3.469 20 0 FGADHM CC(C)CC(CC(C)C)NC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000735760440 598776776 /nfs/dbraw/zinc/77/67/76/598776776.db2.gz BYXXYWQILAVORH-UHFFFAOYSA-N -1 3 358.490 3.469 20 0 FGADHM Cc1ccccc1[C@H](NC(=O)NCc1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000737418412 598778848 /nfs/dbraw/zinc/77/88/48/598778848.db2.gz ANJLMMBWZSLPCM-GOSISDBHSA-N -1 3 362.437 3.126 20 0 FGADHM Cc1ccccc1[C@H](NC(=O)NCc1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000737418412 598778849 /nfs/dbraw/zinc/77/88/49/598778849.db2.gz ANJLMMBWZSLPCM-GOSISDBHSA-N -1 3 362.437 3.126 20 0 FGADHM CC(C)[C@@H]1CCC[C@H](NC(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736113543 598781394 /nfs/dbraw/zinc/78/13/94/598781394.db2.gz PLCWHSHIVWDKNP-XKQJLSEDSA-N -1 3 356.474 3.442 20 0 FGADHM CC(C)[C@@H]1CCC[C@H](NC(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736113543 598781395 /nfs/dbraw/zinc/78/13/95/598781395.db2.gz PLCWHSHIVWDKNP-XKQJLSEDSA-N -1 3 356.474 3.442 20 0 FGADHM Cc1c2c(nc(SCCCCCn3cccn3)c1-c1nnn[n-]1)CCC2 ZINC000737219456 598787795 /nfs/dbraw/zinc/78/77/95/598787795.db2.gz RKKVFFRESQNVHE-UHFFFAOYSA-N -1 3 369.498 3.218 20 0 FGADHM Cc1c2c(nc(SCCCCCn3cccn3)c1-c1nn[n-]n1)CCC2 ZINC000737219456 598787797 /nfs/dbraw/zinc/78/77/97/598787797.db2.gz RKKVFFRESQNVHE-UHFFFAOYSA-N -1 3 369.498 3.218 20 0 FGADHM c1cnn(CCCCCSc2nc3c(cc2-c2nnn[n-]2)CCCC3)c1 ZINC000738447847 598789416 /nfs/dbraw/zinc/78/94/16/598789416.db2.gz JBUXHKIYUJVLTG-UHFFFAOYSA-N -1 3 369.498 3.300 20 0 FGADHM c1cnn(CCCCCSc2nc3c(cc2-c2nn[n-]n2)CCCC3)c1 ZINC000738447847 598789417 /nfs/dbraw/zinc/78/94/17/598789417.db2.gz JBUXHKIYUJVLTG-UHFFFAOYSA-N -1 3 369.498 3.300 20 0 FGADHM C[C@H]1CCc2c(sc(NC(=O)C3CCSCC3)c2-c2nnn[n-]2)C1 ZINC000736278539 598789737 /nfs/dbraw/zinc/78/97/37/598789737.db2.gz GTVAKBBMONYHRC-VIFPVBQESA-N -1 3 363.512 3.135 20 0 FGADHM C[C@H]1CCc2c(sc(NC(=O)C3CCSCC3)c2-c2nn[n-]n2)C1 ZINC000736278539 598789739 /nfs/dbraw/zinc/78/97/39/598789739.db2.gz GTVAKBBMONYHRC-VIFPVBQESA-N -1 3 363.512 3.135 20 0 FGADHM O=C(C1CCSCC1)N(Cc1ccco1)c1ccccc1-c1nnn[n-]1 ZINC000737792459 598790453 /nfs/dbraw/zinc/79/04/53/598790453.db2.gz OXAXMLBWKKVLOS-UHFFFAOYSA-N -1 3 369.450 3.136 20 0 FGADHM O=C(C1CCSCC1)N(Cc1ccco1)c1ccccc1-c1nn[n-]n1 ZINC000737792459 598790454 /nfs/dbraw/zinc/79/04/54/598790454.db2.gz OXAXMLBWKKVLOS-UHFFFAOYSA-N -1 3 369.450 3.136 20 0 FGADHM CC(C)CN(C(=O)CO[C@@H]1CCCC[C@H]1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000735819109 598803544 /nfs/dbraw/zinc/80/35/44/598803544.db2.gz SOGLMMVKAFLLIR-CRAIPNDOSA-N -1 3 371.485 3.451 20 0 FGADHM CC(C)CN(C(=O)CO[C@@H]1CCCC[C@H]1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000735819109 598803546 /nfs/dbraw/zinc/80/35/46/598803546.db2.gz SOGLMMVKAFLLIR-CRAIPNDOSA-N -1 3 371.485 3.451 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cn1)c1ccccc1Cc1ccccc1 ZINC000738149850 598805243 /nfs/dbraw/zinc/80/52/43/598805243.db2.gz IJTZCCZJZZJSBK-UHFFFAOYSA-N -1 3 356.389 3.105 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cn1)c1ccccc1Cc1ccccc1 ZINC000738149850 598805244 /nfs/dbraw/zinc/80/52/44/598805244.db2.gz IJTZCCZJZZJSBK-UHFFFAOYSA-N -1 3 356.389 3.105 20 0 FGADHM C[C@@H]1CCC[C@H](CC(=O)Nc2ccnn2-c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736247463 598807398 /nfs/dbraw/zinc/80/73/98/598807398.db2.gz DNWHDXPPFJLMSO-KGLIPLIRSA-N -1 3 365.441 3.207 20 0 FGADHM Cc1ccc(N(C)C(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)cc1Cl ZINC000737347873 598822653 /nfs/dbraw/zinc/82/26/53/598822653.db2.gz RWOMNMUZBZJCQL-GFCCVEGCSA-N -1 3 371.828 3.259 20 0 FGADHM Cc1ccc(N(C)C(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)cc1Cl ZINC000737347873 598822654 /nfs/dbraw/zinc/82/26/54/598822654.db2.gz RWOMNMUZBZJCQL-GFCCVEGCSA-N -1 3 371.828 3.259 20 0 FGADHM Cc1ccc(N(C)C(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC000737348442 598822751 /nfs/dbraw/zinc/82/27/51/598822751.db2.gz ZOAHWZHZEWVYTF-GFCCVEGCSA-N -1 3 371.828 3.259 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1cc(C(C)C)on1 ZINC000821104492 599294580 /nfs/dbraw/zinc/29/45/80/599294580.db2.gz FZMLNDUOXJUHKA-UHFFFAOYSA-N -1 3 369.429 3.422 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cc(C(C)C)on1 ZINC000821104492 599294581 /nfs/dbraw/zinc/29/45/81/599294581.db2.gz FZMLNDUOXJUHKA-UHFFFAOYSA-N -1 3 369.429 3.422 20 0 FGADHM CCCCOCC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736459502 599298492 /nfs/dbraw/zinc/29/84/92/599298492.db2.gz DCTRNJIZLLWCJA-UHFFFAOYSA-N -1 3 367.409 3.414 20 0 FGADHM CCCCOCC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736459502 599298495 /nfs/dbraw/zinc/29/84/95/599298495.db2.gz DCTRNJIZLLWCJA-UHFFFAOYSA-N -1 3 367.409 3.414 20 0 FGADHM Cc1nccc(NC(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)n1 ZINC000737501056 599298653 /nfs/dbraw/zinc/29/86/53/599298653.db2.gz HRASJRUKCSBVRK-UHFFFAOYSA-N -1 3 373.376 3.010 20 0 FGADHM O[C@@H](CNc1ccc(-c2nn[n-]n2)cc1)c1cc(Cl)cc(Cl)c1 ZINC000738384576 599306363 /nfs/dbraw/zinc/30/63/63/599306363.db2.gz TYVLJSYLMJYKMX-AWEZNQCLSA-N -1 3 350.209 3.319 20 0 FGADHM c1cc(-c2nc(CC3CC3)no2)oc1COc1ccc(-c2nn[n-]n2)cc1 ZINC000823743378 599311042 /nfs/dbraw/zinc/31/10/42/599311042.db2.gz ZSBHDXZMPVLHOJ-UHFFFAOYSA-N -1 3 364.365 3.041 20 0 FGADHM C[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCO[C@@H](c2cccc(F)c2)C1 ZINC000736197865 599314006 /nfs/dbraw/zinc/31/40/06/599314006.db2.gz CMBYQNGYJNSZRT-FZKQIMNGSA-N -1 3 353.401 3.140 20 0 FGADHM COc1ccc(OCCSCc2cc(-c3nnn[n-]3)ccc2OC)cc1 ZINC000821845427 607368279 /nfs/dbraw/zinc/36/82/79/607368279.db2.gz GEENZHFDBRAOPT-UHFFFAOYSA-N -1 3 372.450 3.196 20 0 FGADHM COc1ccc(OCCSCc2cc(-c3nn[n-]n3)ccc2OC)cc1 ZINC000821845427 607368281 /nfs/dbraw/zinc/36/82/81/607368281.db2.gz GEENZHFDBRAOPT-UHFFFAOYSA-N -1 3 372.450 3.196 20 0 FGADHM C[C@H](OC(=O)[C@@H]1CSc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000736151785 599339499 /nfs/dbraw/zinc/33/94/99/599339499.db2.gz MLDDAENWDZQQBH-XHDPSFHLSA-N -1 3 352.419 3.360 20 0 FGADHM C[C@H](OC(=O)[C@@H]1CSc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000736151785 599339502 /nfs/dbraw/zinc/33/95/02/599339502.db2.gz MLDDAENWDZQQBH-XHDPSFHLSA-N -1 3 352.419 3.360 20 0 FGADHM Cc1sc2nc(CSc3ccccc3-c3nnn[n-]3)nc(N)c2c1C ZINC000822564250 599343050 /nfs/dbraw/zinc/34/30/50/599343050.db2.gz XFUOIPWQIUNMFT-UHFFFAOYSA-N -1 3 369.479 3.363 20 0 FGADHM Cc1sc2nc(CSc3ccccc3-c3nn[n-]n3)nc(N)c2c1C ZINC000822564250 599343054 /nfs/dbraw/zinc/34/30/54/599343054.db2.gz XFUOIPWQIUNMFT-UHFFFAOYSA-N -1 3 369.479 3.363 20 0 FGADHM Fc1cc(F)c2ncc(-c3nnn[n-]3)c(NCCCC(F)(F)F)c2c1 ZINC000822753197 599358437 /nfs/dbraw/zinc/35/84/37/599358437.db2.gz IQHAMAMWQRQERC-UHFFFAOYSA-N -1 3 358.274 3.448 20 0 FGADHM Fc1cc(F)c2ncc(-c3nn[n-]n3)c(NCCCC(F)(F)F)c2c1 ZINC000822753197 599358441 /nfs/dbraw/zinc/35/84/41/599358441.db2.gz IQHAMAMWQRQERC-UHFFFAOYSA-N -1 3 358.274 3.448 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1CNc1ccc(F)cc1OC(F)F ZINC000821736561 607371368 /nfs/dbraw/zinc/37/13/68/607371368.db2.gz LVSHBJSNMDDCHQ-UHFFFAOYSA-N -1 3 365.315 3.228 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1CNc1ccc(F)cc1OC(F)F ZINC000821736561 607371369 /nfs/dbraw/zinc/37/13/69/607371369.db2.gz LVSHBJSNMDDCHQ-UHFFFAOYSA-N -1 3 365.315 3.228 20 0 FGADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)C[C@@H](C)c1cccnc1 ZINC000737023707 599372658 /nfs/dbraw/zinc/37/26/58/599372658.db2.gz ANKPZFWCMXBYSM-SNVBAGLBSA-N -1 3 373.800 3.023 20 0 FGADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)C[C@@H](C)c1cccnc1 ZINC000737023707 599372661 /nfs/dbraw/zinc/37/26/61/599372661.db2.gz ANKPZFWCMXBYSM-SNVBAGLBSA-N -1 3 373.800 3.023 20 0 FGADHM Cc1cccc(Cl)c1OCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000822303705 599387311 /nfs/dbraw/zinc/38/73/11/599387311.db2.gz GHICYRONYDFPQB-UHFFFAOYSA-N -1 3 368.784 3.458 20 0 FGADHM Cc1cccc(Cl)c1OCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822303705 599387314 /nfs/dbraw/zinc/38/73/14/599387314.db2.gz GHICYRONYDFPQB-UHFFFAOYSA-N -1 3 368.784 3.458 20 0 FGADHM CC(=O)c1ccccc1OCCOc1c(C)cc(-c2nn[n-]n2)cc1C ZINC000819844277 599387694 /nfs/dbraw/zinc/38/76/94/599387694.db2.gz ANBRHTXTTYCOCS-UHFFFAOYSA-N -1 3 352.394 3.144 20 0 FGADHM C[C@H](COC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)C(F)(F)F ZINC000824440618 607372765 /nfs/dbraw/zinc/37/27/65/607372765.db2.gz HDDBIOXTZNVZPD-LLVKDONJSA-N -1 3 372.347 3.157 20 0 FGADHM C[C@H](COC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)C(F)(F)F ZINC000824440618 607372767 /nfs/dbraw/zinc/37/27/67/607372767.db2.gz HDDBIOXTZNVZPD-LLVKDONJSA-N -1 3 372.347 3.157 20 0 FGADHM COc1cc(C)c(CN(C)c2cc(Cl)ccc2-c2nnn[n-]2)cc1OC ZINC000737041503 599397399 /nfs/dbraw/zinc/39/73/99/599397399.db2.gz VQHGNHIRHXLGRX-UHFFFAOYSA-N -1 3 373.844 3.482 20 0 FGADHM COc1cc(C)c(CN(C)c2cc(Cl)ccc2-c2nn[n-]n2)cc1OC ZINC000737041503 599397401 /nfs/dbraw/zinc/39/74/01/599397401.db2.gz VQHGNHIRHXLGRX-UHFFFAOYSA-N -1 3 373.844 3.482 20 0 FGADHM COc1ccc(C)cc1CCNc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000737078137 599400193 /nfs/dbraw/zinc/40/01/93/599400193.db2.gz UNMCHJDOVQBZAY-UHFFFAOYSA-N -1 3 360.421 3.387 20 0 FGADHM COc1ccc(C)cc1CCNc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000737078137 599400195 /nfs/dbraw/zinc/40/01/95/599400195.db2.gz UNMCHJDOVQBZAY-UHFFFAOYSA-N -1 3 360.421 3.387 20 0 FGADHM COc1cc([C@@H](C)NCc2ccc(-c3nnn[n-]3)o2)ccc1OC(C)C ZINC000821707835 599400547 /nfs/dbraw/zinc/40/05/47/599400547.db2.gz FSYNZHSRLGLJDG-GFCCVEGCSA-N -1 3 357.414 3.106 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1CSc1nc2ccccc2n1C ZINC000821752883 607374414 /nfs/dbraw/zinc/37/44/14/607374414.db2.gz UNLXRWSQXJCUJU-UHFFFAOYSA-N -1 3 352.423 3.054 20 0 FGADHM COc1ccc(F)cc1CNc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000821828154 607374663 /nfs/dbraw/zinc/37/46/63/607374663.db2.gz RFNIVCQRZXEZIE-UHFFFAOYSA-N -1 3 357.389 3.414 20 0 FGADHM COc1ccc(F)cc1CNc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000821828154 607374665 /nfs/dbraw/zinc/37/46/65/607374665.db2.gz RFNIVCQRZXEZIE-UHFFFAOYSA-N -1 3 357.389 3.414 20 0 FGADHM c1cc(-c2nnn[n-]2)oc1CNCc1cccc(COc2ccccc2)c1 ZINC000823792617 599413778 /nfs/dbraw/zinc/41/37/78/599413778.db2.gz ZQBQPQBHOMRBPN-UHFFFAOYSA-N -1 3 361.405 3.329 20 0 FGADHM Cc1ccc([C@H](C)NC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)c(C)c1 ZINC000822229371 599418647 /nfs/dbraw/zinc/41/86/47/599418647.db2.gz SLLLCZPNCXGZIF-ZDUSSCGKSA-N -1 3 368.416 3.183 20 0 FGADHM Cc1ccc([C@H](C)NC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)c(C)c1 ZINC000822229371 599418649 /nfs/dbraw/zinc/41/86/49/599418649.db2.gz SLLLCZPNCXGZIF-ZDUSSCGKSA-N -1 3 368.416 3.183 20 0 FGADHM C[C@@](O)(CNc1cc(Cl)ccc1-c1nnn[n-]1)c1ccc(F)cc1F ZINC000736144560 599438211 /nfs/dbraw/zinc/43/82/11/599438211.db2.gz ZTWMVCFBPPDXOB-MRXNPFEDSA-N -1 3 365.771 3.118 20 0 FGADHM C[C@@](O)(CNc1cc(Cl)ccc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC000736144560 599438214 /nfs/dbraw/zinc/43/82/14/599438214.db2.gz ZTWMVCFBPPDXOB-MRXNPFEDSA-N -1 3 365.771 3.118 20 0 FGADHM c1ccc2c(c1)nc(NCCc1ccc3c(c1)CCO3)cc2-c1nnn[n-]1 ZINC000738432629 599440807 /nfs/dbraw/zinc/44/08/07/599440807.db2.gz IUGZMSQGCNRRSL-UHFFFAOYSA-N -1 3 358.405 3.004 20 0 FGADHM c1ccc2c(c1)nc(NCCc1ccc3c(c1)CCO3)cc2-c1nn[n-]n1 ZINC000738432629 599440808 /nfs/dbraw/zinc/44/08/08/599440808.db2.gz IUGZMSQGCNRRSL-UHFFFAOYSA-N -1 3 358.405 3.004 20 0 FGADHM Cc1ccc(C[C@@H](NCc2ccc(-c3nnn[n-]3)o2)c2ccccn2)cc1 ZINC000822235005 599440804 /nfs/dbraw/zinc/44/08/04/599440804.db2.gz OKWFTOWVZMZRHO-GOSISDBHSA-N -1 3 360.421 3.237 20 0 FGADHM Cc1ccc(C[C@@H](NCc2ccc(-c3nn[n-]n3)o2)c2ccccn2)cc1 ZINC000822235005 599440806 /nfs/dbraw/zinc/44/08/06/599440806.db2.gz OKWFTOWVZMZRHO-GOSISDBHSA-N -1 3 360.421 3.237 20 0 FGADHM CCCCc1noc([C@H](C)SCCOc2ccccc2-c2nnn[n-]2)n1 ZINC000736466782 599451002 /nfs/dbraw/zinc/45/10/02/599451002.db2.gz NIBFZHDSYOLWGS-LBPRGKRZSA-N -1 3 374.470 3.466 20 0 FGADHM CCCCc1noc([C@H](C)SCCOc2ccccc2-c2nn[n-]n2)n1 ZINC000736466782 599451004 /nfs/dbraw/zinc/45/10/04/599451004.db2.gz NIBFZHDSYOLWGS-LBPRGKRZSA-N -1 3 374.470 3.466 20 0 FGADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)N1CCC[C@]2(CC=CCC2)C1 ZINC000823233432 599464408 /nfs/dbraw/zinc/46/44/08/599464408.db2.gz GYXXAXUHBMGLJR-LJQANCHMSA-N -1 3 370.432 3.038 20 0 FGADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)N1CCC[C@]2(CC=CCC2)C1 ZINC000823233432 599464410 /nfs/dbraw/zinc/46/44/10/599464410.db2.gz GYXXAXUHBMGLJR-LJQANCHMSA-N -1 3 370.432 3.038 20 0 FGADHM C[C@@H](NC(=O)N1CCC[C@@H]1c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820348152 599470785 /nfs/dbraw/zinc/47/07/85/599470785.db2.gz AHCUIWPJHYFFDD-RDTXWAMCSA-N -1 3 362.437 3.474 20 0 FGADHM C[C@@H](NC(=O)N1CCC[C@@H]1c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820348152 599470788 /nfs/dbraw/zinc/47/07/88/599470788.db2.gz AHCUIWPJHYFFDD-RDTXWAMCSA-N -1 3 362.437 3.474 20 0 FGADHM O=C(NCCCCC1CCCC1)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000823187511 599472227 /nfs/dbraw/zinc/47/22/27/599472227.db2.gz MIATZHSGWIOMTC-UHFFFAOYSA-N -1 3 360.437 3.166 20 0 FGADHM O=C(NCCCCC1CCCC1)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000823187511 599472230 /nfs/dbraw/zinc/47/22/30/599472230.db2.gz MIATZHSGWIOMTC-UHFFFAOYSA-N -1 3 360.437 3.166 20 0 FGADHM C[C@H](NC(=O)N[C@@H]1CSc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820359965 599483007 /nfs/dbraw/zinc/48/30/07/599483007.db2.gz VYKQFMBYAGFEQN-XHDPSFHLSA-N -1 3 366.450 3.074 20 0 FGADHM C[C@H](NC(=O)N[C@@H]1CSc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820359965 599483008 /nfs/dbraw/zinc/48/30/08/599483008.db2.gz VYKQFMBYAGFEQN-XHDPSFHLSA-N -1 3 366.450 3.074 20 0 FGADHM C[C@@H](NC(=O)N1CC[C@H]1c1cccc(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820342051 599483068 /nfs/dbraw/zinc/48/30/68/599483068.db2.gz SOBMLECFFVZHBG-PXAZEXFGSA-N -1 3 366.400 3.223 20 0 FGADHM C[C@@H](NC(=O)N1CC[C@H]1c1cccc(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820342051 599483071 /nfs/dbraw/zinc/48/30/71/599483071.db2.gz SOBMLECFFVZHBG-PXAZEXFGSA-N -1 3 366.400 3.223 20 0 FGADHM C[C@@H](CCc1cccc(F)c1)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820254201 599497908 /nfs/dbraw/zinc/49/79/08/599497908.db2.gz NQRLTYYPAMIEQZ-KBPBESRZSA-N -1 3 367.428 3.452 20 0 FGADHM C[C@@H](CCc1cccc(F)c1)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820254201 599497911 /nfs/dbraw/zinc/49/79/11/599497911.db2.gz NQRLTYYPAMIEQZ-KBPBESRZSA-N -1 3 367.428 3.452 20 0 FGADHM C[C@H](CCc1cccc(F)c1)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820254203 599497970 /nfs/dbraw/zinc/49/79/70/599497970.db2.gz NQRLTYYPAMIEQZ-KGLIPLIRSA-N -1 3 367.428 3.452 20 0 FGADHM C[C@H](CCc1cccc(F)c1)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820254203 599497972 /nfs/dbraw/zinc/49/79/72/599497972.db2.gz NQRLTYYPAMIEQZ-KGLIPLIRSA-N -1 3 367.428 3.452 20 0 FGADHM C[C@H](NC(=O)c1ccccc1Br)c1cccc(-c2nnn[n-]2)c1 ZINC000820397743 599502897 /nfs/dbraw/zinc/50/28/97/599502897.db2.gz SDVZIHGIGSAUIO-JTQLQIEISA-N -1 3 372.226 3.120 20 0 FGADHM C[C@H](NC(=O)c1ccccc1Br)c1cccc(-c2nn[n-]n2)c1 ZINC000820397743 599502900 /nfs/dbraw/zinc/50/29/00/599502900.db2.gz SDVZIHGIGSAUIO-JTQLQIEISA-N -1 3 372.226 3.120 20 0 FGADHM C[C@H](Nc1ccc(F)cc1)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736139171 599503193 /nfs/dbraw/zinc/50/31/93/599503193.db2.gz OZIALDZPOGHVQE-VIFPVBQESA-N -1 3 360.780 3.098 20 0 FGADHM C[C@H](Nc1ccc(F)cc1)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736139171 599503196 /nfs/dbraw/zinc/50/31/96/599503196.db2.gz OZIALDZPOGHVQE-VIFPVBQESA-N -1 3 360.780 3.098 20 0 FGADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2NCc1ccc(F)cc1F ZINC000822336466 599503927 /nfs/dbraw/zinc/50/39/27/599503927.db2.gz QHYNHQQTZZFGEX-UHFFFAOYSA-N -1 3 352.348 3.036 20 0 FGADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2NCc1ccc(F)cc1F ZINC000822336466 599503930 /nfs/dbraw/zinc/50/39/30/599503930.db2.gz QHYNHQQTZZFGEX-UHFFFAOYSA-N -1 3 352.348 3.036 20 0 FGADHM C[C@@H](NC(=O)[C@@]1(C)CCc2ccccc2C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820321226 599515945 /nfs/dbraw/zinc/51/59/45/599515945.db2.gz DAUMRVCKOVRHKN-SZNDQCEHSA-N -1 3 361.449 3.239 20 0 FGADHM C[C@@H](NC(=O)[C@@]1(C)CCc2ccccc2C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820321226 599515946 /nfs/dbraw/zinc/51/59/46/599515946.db2.gz DAUMRVCKOVRHKN-SZNDQCEHSA-N -1 3 361.449 3.239 20 0 FGADHM C[C@@H](NC(=O)[C@]1(C)CCc2ccccc2C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820321225 599515979 /nfs/dbraw/zinc/51/59/79/599515979.db2.gz DAUMRVCKOVRHKN-SPLOXXLWSA-N -1 3 361.449 3.239 20 0 FGADHM C[C@@H](NC(=O)[C@]1(C)CCc2ccccc2C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820321225 599515981 /nfs/dbraw/zinc/51/59/81/599515981.db2.gz DAUMRVCKOVRHKN-SPLOXXLWSA-N -1 3 361.449 3.239 20 0 FGADHM CCOc1ncccc1CNc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000736656916 599519938 /nfs/dbraw/zinc/51/99/38/599519938.db2.gz PFJDGPYQOBAOTL-UHFFFAOYSA-N -1 3 364.331 3.291 20 0 FGADHM C[C@H](NC(=O)c1ccc(-c2ccccc2)[nH]1)c1cccc(-c2nnn[n-]2)c1 ZINC000820392568 599524660 /nfs/dbraw/zinc/52/46/60/599524660.db2.gz WCNYOCBGHYTGAT-ZDUSSCGKSA-N -1 3 358.405 3.353 20 0 FGADHM C[C@H](NC(=O)c1ccc(-c2ccccc2)[nH]1)c1cccc(-c2nn[n-]n2)c1 ZINC000820392568 599524662 /nfs/dbraw/zinc/52/46/62/599524662.db2.gz WCNYOCBGHYTGAT-ZDUSSCGKSA-N -1 3 358.405 3.353 20 0 FGADHM Cc1ccccc1SCC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822367011 599525032 /nfs/dbraw/zinc/52/50/32/599525032.db2.gz ZBLAIMADPMEBMC-ZDUSSCGKSA-N -1 3 353.451 3.145 20 0 FGADHM Cc1ccccc1SCC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822367011 599525034 /nfs/dbraw/zinc/52/50/34/599525034.db2.gz ZBLAIMADPMEBMC-ZDUSSCGKSA-N -1 3 353.451 3.145 20 0 FGADHM C[C@H](NC(=O)CCc1ccc([C@H]2C[C@H]2C)o1)c1cccc(-c2nnn[n-]2)c1 ZINC000820327384 599533200 /nfs/dbraw/zinc/53/32/00/599533200.db2.gz GUMLHBDJAVMLTL-IGCXYCKISA-N -1 3 365.437 3.393 20 0 FGADHM C[C@H](NC(=O)CCc1ccc([C@H]2C[C@H]2C)o1)c1cccc(-c2nn[n-]n2)c1 ZINC000820327384 599533203 /nfs/dbraw/zinc/53/32/03/599533203.db2.gz GUMLHBDJAVMLTL-IGCXYCKISA-N -1 3 365.437 3.393 20 0 FGADHM Cc1oc(-c2ccccc2F)nc1C(=O)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000737548749 599540173 /nfs/dbraw/zinc/54/01/73/599540173.db2.gz RBUOUPDYNVCYTH-UHFFFAOYSA-N -1 3 365.324 3.188 20 0 FGADHM C[C@H](NC(=O)C1C2CC3CC(C2)CC1C3)c1cccc(-c2nnn[n-]2)c1 ZINC000820323053 599540870 /nfs/dbraw/zinc/54/08/70/599540870.db2.gz WTCVMHFMVUIZDE-OJTSIXLCSA-N -1 3 351.454 3.116 20 0 FGADHM C[C@H](NC(=O)C1C2CC3CC(C2)CC1C3)c1cccc(-c2nn[n-]n2)c1 ZINC000820323053 599540872 /nfs/dbraw/zinc/54/08/72/599540872.db2.gz WTCVMHFMVUIZDE-OJTSIXLCSA-N -1 3 351.454 3.116 20 0 FGADHM C[C@H](Cc1ccccc1F)C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736059379 599542333 /nfs/dbraw/zinc/54/23/33/599542333.db2.gz RUWGWLOJWJMKDE-CHWSQXEVSA-N -1 3 353.401 3.062 20 0 FGADHM C[C@H](Cc1ccccc1F)C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736059379 599542334 /nfs/dbraw/zinc/54/23/34/599542334.db2.gz RUWGWLOJWJMKDE-CHWSQXEVSA-N -1 3 353.401 3.062 20 0 FGADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)[C@@H](C)Cc2ccccc2F)s1 ZINC000736679203 599543933 /nfs/dbraw/zinc/54/39/33/599543933.db2.gz OBEPQPYQWXAYEH-JTQLQIEISA-N -1 3 359.430 3.447 20 0 FGADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)[C@@H](C)Cc2ccccc2F)s1 ZINC000736679203 599543934 /nfs/dbraw/zinc/54/39/34/599543934.db2.gz OBEPQPYQWXAYEH-JTQLQIEISA-N -1 3 359.430 3.447 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N[C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000737802057 599546763 /nfs/dbraw/zinc/54/67/63/599546763.db2.gz OLHUXMAXMHNKOR-MFTPASTQSA-N -1 3 373.460 3.408 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N[C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000737802057 599546765 /nfs/dbraw/zinc/54/67/65/599546765.db2.gz OLHUXMAXMHNKOR-MFTPASTQSA-N -1 3 373.460 3.408 20 0 FGADHM CC[C@@H](C)[C@H]1CCCCN1C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736326663 599548333 /nfs/dbraw/zinc/54/83/33/599548333.db2.gz CGCMMDCRXKHXPN-CZUORRHYSA-N -1 3 359.499 3.386 20 0 FGADHM CC[C@@H](C)[C@H]1CCCCN1C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736326663 599548336 /nfs/dbraw/zinc/54/83/36/599548336.db2.gz CGCMMDCRXKHXPN-CZUORRHYSA-N -1 3 359.499 3.386 20 0 FGADHM Cc1ccc(C[C@H](C)N(C)C(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000737334455 599553574 /nfs/dbraw/zinc/55/35/74/599553574.db2.gz HNPCHDCEPXWZST-DBTPVHCXSA-N -1 3 361.449 3.278 20 0 FGADHM Cc1ccc(C[C@H](C)N(C)C(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000737334455 599553575 /nfs/dbraw/zinc/55/35/75/599553575.db2.gz HNPCHDCEPXWZST-DBTPVHCXSA-N -1 3 361.449 3.278 20 0 FGADHM CC(C)CCNC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735811800 599561887 /nfs/dbraw/zinc/56/18/87/599561887.db2.gz VSACYBZTVWZDRH-UHFFFAOYSA-N -1 3 350.426 3.386 20 0 FGADHM Cc1cccc(NC2CCN(c3ccc(F)cc3-c3nnn[n-]3)CC2)c1 ZINC000822323239 599572261 /nfs/dbraw/zinc/57/22/61/599572261.db2.gz AUYZVLWAZNDTNB-UHFFFAOYSA-N -1 3 352.417 3.395 20 0 FGADHM Cc1cccc(NC2CCN(c3ccc(F)cc3-c3nn[n-]n3)CC2)c1 ZINC000822323239 599572264 /nfs/dbraw/zinc/57/22/64/599572264.db2.gz AUYZVLWAZNDTNB-UHFFFAOYSA-N -1 3 352.417 3.395 20 0 FGADHM CC[C@@H](NC(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1F ZINC000736363702 599600204 /nfs/dbraw/zinc/60/02/04/599600204.db2.gz OSQGMEHIQRMHRG-OAHLLOKOSA-N -1 3 358.352 3.418 20 0 FGADHM CC[C@@H](NC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1F ZINC000736363702 599600206 /nfs/dbraw/zinc/60/02/06/599600206.db2.gz OSQGMEHIQRMHRG-OAHLLOKOSA-N -1 3 358.352 3.418 20 0 FGADHM O=C(OCC(F)(F)F)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738219546 599608057 /nfs/dbraw/zinc/60/80/57/599608057.db2.gz LSTKDIAMBDWLDM-UHFFFAOYSA-N -1 3 363.299 3.329 20 0 FGADHM CC[C@@H](c1ccc(F)cc1)S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736393434 599608713 /nfs/dbraw/zinc/60/87/13/599608713.db2.gz YNLDWRSDZLWNMH-INIZCTEOSA-N -1 3 360.414 3.072 20 0 FGADHM CC[C@@H](c1ccc(F)cc1)S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736393434 599608714 /nfs/dbraw/zinc/60/87/14/599608714.db2.gz YNLDWRSDZLWNMH-INIZCTEOSA-N -1 3 360.414 3.072 20 0 FGADHM O=C(Nc1sccc1-c1nnn[n-]1)c1ccc(F)c(Br)c1 ZINC000823387607 599629127 /nfs/dbraw/zinc/62/91/27/599629127.db2.gz QLNCUTSTMARLJY-UHFFFAOYSA-N -1 3 368.191 3.082 20 0 FGADHM O=C(Nc1sccc1-c1nn[n-]n1)c1ccc(F)c(Br)c1 ZINC000823387607 599629128 /nfs/dbraw/zinc/62/91/28/599629128.db2.gz QLNCUTSTMARLJY-UHFFFAOYSA-N -1 3 368.191 3.082 20 0 FGADHM CCCCCCOCC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000821056429 599634509 /nfs/dbraw/zinc/63/45/09/599634509.db2.gz RHDUQVJNTFJLEI-UHFFFAOYSA-N -1 3 371.363 3.421 20 0 FGADHM CCCCCCOCC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821056429 599634510 /nfs/dbraw/zinc/63/45/10/599634510.db2.gz RHDUQVJNTFJLEI-UHFFFAOYSA-N -1 3 371.363 3.421 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1O[C@H](C)c1nc(-c2cccs2)no1 ZINC000821700597 599646468 /nfs/dbraw/zinc/64/64/68/599646468.db2.gz SQDJMADEYHCVHI-SECBINFHSA-N -1 3 370.394 3.127 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1O[C@H](C)c1nc(-c2cccs2)no1 ZINC000821700597 599646469 /nfs/dbraw/zinc/64/64/69/599646469.db2.gz SQDJMADEYHCVHI-SECBINFHSA-N -1 3 370.394 3.127 20 0 FGADHM CC(C)C[C@H]1CCN(C(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)C1 ZINC000820067172 599652679 /nfs/dbraw/zinc/65/26/79/599652679.db2.gz FIIVLEOIJJVSTN-MRXNPFEDSA-N -1 3 371.485 3.310 20 0 FGADHM CC(C)C[C@H]1CCN(C(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)C1 ZINC000820067172 599652680 /nfs/dbraw/zinc/65/26/80/599652680.db2.gz FIIVLEOIJJVSTN-MRXNPFEDSA-N -1 3 371.485 3.310 20 0 FGADHM CCCC[C@@H](CC)C(=O)OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000821040084 599656768 /nfs/dbraw/zinc/65/67/68/599656768.db2.gz IFYGPJFTECSLAV-GFCCVEGCSA-N -1 3 370.413 3.176 20 0 FGADHM CCCC[C@@H](CC)C(=O)OCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000821040084 599656769 /nfs/dbraw/zinc/65/67/69/599656769.db2.gz IFYGPJFTECSLAV-GFCCVEGCSA-N -1 3 370.413 3.176 20 0 FGADHM C[C@@H](C(=O)OCCOc1ccccc1-c1nnn[n-]1)c1cccc(Cl)c1 ZINC000819884426 599665498 /nfs/dbraw/zinc/66/54/98/599665498.db2.gz WRIAXGCPNWVIMX-GFCCVEGCSA-N -1 3 372.812 3.246 20 0 FGADHM C[C@@H](C(=O)OCCOc1ccccc1-c1nn[n-]n1)c1cccc(Cl)c1 ZINC000819884426 599665499 /nfs/dbraw/zinc/66/54/99/599665499.db2.gz WRIAXGCPNWVIMX-GFCCVEGCSA-N -1 3 372.812 3.246 20 0 FGADHM CCCCC[C@@H](C)CC(=O)O[C@@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000821049297 599668278 /nfs/dbraw/zinc/66/82/78/599668278.db2.gz KILYKXISBLCWKE-KGLIPLIRSA-N -1 3 373.457 3.343 20 0 FGADHM CCCCC[C@@H](C)CC(=O)O[C@@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000821049297 599668279 /nfs/dbraw/zinc/66/82/79/599668279.db2.gz KILYKXISBLCWKE-KGLIPLIRSA-N -1 3 373.457 3.343 20 0 FGADHM CC(C)N(Cc1ccccc1)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000820121963 599679383 /nfs/dbraw/zinc/67/93/83/599679383.db2.gz WNYMMHHMQCZPNJ-UHFFFAOYSA-N -1 3 368.416 3.126 20 0 FGADHM CC(C)N(Cc1ccccc1)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000820121963 599679384 /nfs/dbraw/zinc/67/93/84/599679384.db2.gz WNYMMHHMQCZPNJ-UHFFFAOYSA-N -1 3 368.416 3.126 20 0 FGADHM Cc1nnc(Nc2ccc(OCCC(C)C)cc2)c(-c2nnn[n-]2)c1C ZINC000822514145 599689323 /nfs/dbraw/zinc/68/93/23/599689323.db2.gz CHCNCIBSZODBQC-UHFFFAOYSA-N -1 3 353.430 3.442 20 0 FGADHM Cc1nnc(Nc2ccc(OCCC(C)C)cc2)c(-c2nn[n-]n2)c1C ZINC000822514145 599689324 /nfs/dbraw/zinc/68/93/24/599689324.db2.gz CHCNCIBSZODBQC-UHFFFAOYSA-N -1 3 353.430 3.442 20 0 FGADHM CCC(=CC(=O)Nc1ccc(-c2nnn[n-]2)cn1)c1cccc(Cl)c1 ZINC000820832173 599689657 /nfs/dbraw/zinc/68/96/57/599689657.db2.gz HQIYJVGAGBFMAG-PKNBQFBNSA-N -1 3 354.801 3.347 20 0 FGADHM CCC(=CC(=O)Nc1ccc(-c2nn[n-]n2)cn1)c1cccc(Cl)c1 ZINC000820832173 599689658 /nfs/dbraw/zinc/68/96/58/599689658.db2.gz HQIYJVGAGBFMAG-PKNBQFBNSA-N -1 3 354.801 3.347 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NCc1ncc(-c2ccc(C)cc2)o1 ZINC000821766098 599691700 /nfs/dbraw/zinc/69/17/00/599691700.db2.gz RFORXNKNOXZEDB-UHFFFAOYSA-N -1 3 362.393 3.451 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NCc1ncc(-c2ccc(C)cc2)o1 ZINC000821766098 599691701 /nfs/dbraw/zinc/69/17/01/599691701.db2.gz RFORXNKNOXZEDB-UHFFFAOYSA-N -1 3 362.393 3.451 20 0 FGADHM Cc1ccsc1CCCC(=O)OCc1ccc(-c2nnn[n-]2)cc1F ZINC000826316363 607391406 /nfs/dbraw/zinc/39/14/06/607391406.db2.gz LHCQCATUTIDLPM-UHFFFAOYSA-N -1 3 360.414 3.442 20 0 FGADHM Cc1ccsc1CCCC(=O)OCc1ccc(-c2nn[n-]n2)cc1F ZINC000826316363 607391408 /nfs/dbraw/zinc/39/14/08/607391408.db2.gz LHCQCATUTIDLPM-UHFFFAOYSA-N -1 3 360.414 3.442 20 0 FGADHM Cc1ccsc1CCCC(=O)OCCOc1cccc(-c2nnn[n-]2)c1 ZINC000826316443 607391643 /nfs/dbraw/zinc/39/16/43/607391643.db2.gz OGZCPBKKFOCTQN-UHFFFAOYSA-N -1 3 372.450 3.182 20 0 FGADHM Cc1ccsc1CCCC(=O)OCCOc1cccc(-c2nn[n-]n2)c1 ZINC000826316443 607391645 /nfs/dbraw/zinc/39/16/45/607391645.db2.gz OGZCPBKKFOCTQN-UHFFFAOYSA-N -1 3 372.450 3.182 20 0 FGADHM O=C(Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)[C@@H]1CCCCO1 ZINC000823367327 607394249 /nfs/dbraw/zinc/39/42/49/607394249.db2.gz JKBJPAFXSXOMDM-KRWDZBQOSA-N -1 3 365.393 3.167 20 0 FGADHM O=C(Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)[C@@H]1CCCCO1 ZINC000823367327 607394251 /nfs/dbraw/zinc/39/42/51/607394251.db2.gz JKBJPAFXSXOMDM-KRWDZBQOSA-N -1 3 365.393 3.167 20 0 FGADHM CC(C)Oc1ccc(NC(=O)Cc2cccc(F)c2F)cc1-c1nnn[n-]1 ZINC000820164074 607396771 /nfs/dbraw/zinc/39/67/71/607396771.db2.gz CALDJRZUYCUIIL-UHFFFAOYSA-N -1 3 373.363 3.113 20 0 FGADHM CC(C)Oc1ccc(NC(=O)Cc2cccc(F)c2F)cc1-c1nn[n-]n1 ZINC000820164074 607396773 /nfs/dbraw/zinc/39/67/73/607396773.db2.gz CALDJRZUYCUIIL-UHFFFAOYSA-N -1 3 373.363 3.113 20 0 FGADHM CCc1cc(C)c(C(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)o1 ZINC000821470432 607399256 /nfs/dbraw/zinc/39/92/56/607399256.db2.gz OYCPSXUXWQSQHN-UHFFFAOYSA-N -1 3 355.398 3.370 20 0 FGADHM CCc1cc(C)c(C(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)o1 ZINC000821470432 607399257 /nfs/dbraw/zinc/39/92/57/607399257.db2.gz OYCPSXUXWQSQHN-UHFFFAOYSA-N -1 3 355.398 3.370 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)O[C@H](c1ncccn1)C1CCCC1 ZINC000826251171 607402129 /nfs/dbraw/zinc/40/21/29/607402129.db2.gz HOOFUOZSYCCUED-INIZCTEOSA-N -1 3 364.409 3.053 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)O[C@H](c1ncccn1)C1CCCC1 ZINC000826251171 607402131 /nfs/dbraw/zinc/40/21/31/607402131.db2.gz HOOFUOZSYCCUED-INIZCTEOSA-N -1 3 364.409 3.053 20 0 FGADHM COc1cccc(C(C)=CC(=O)OCc2ccc(-c3nnn[n-]3)cc2C)c1 ZINC000826214350 607402454 /nfs/dbraw/zinc/40/24/54/607402454.db2.gz IZRUZLFSHXRDFC-GXDHUFHOSA-N -1 3 364.405 3.330 20 0 FGADHM COc1cccc(C(C)=CC(=O)OCc2ccc(-c3nn[n-]n3)cc2C)c1 ZINC000826214350 607402455 /nfs/dbraw/zinc/40/24/55/607402455.db2.gz IZRUZLFSHXRDFC-GXDHUFHOSA-N -1 3 364.405 3.330 20 0 FGADHM CC[C@@H](C(=O)OCc1cc(-c2nnn[n-]2)ccc1OC)c1ccccc1 ZINC000820847388 607408185 /nfs/dbraw/zinc/40/81/85/607408185.db2.gz CTVCIGUYENQKPG-MRXNPFEDSA-N -1 3 352.394 3.112 20 0 FGADHM CC[C@@H](C(=O)OCc1cc(-c2nn[n-]n2)ccc1OC)c1ccccc1 ZINC000820847388 607408187 /nfs/dbraw/zinc/40/81/87/607408187.db2.gz CTVCIGUYENQKPG-MRXNPFEDSA-N -1 3 352.394 3.112 20 0 FGADHM C[C@@H](CN(CC(=O)N[C@@H](C)c1cccc2ccccc21)C1CC1)C(=O)[O-] ZINC000736577659 599951243 /nfs/dbraw/zinc/95/12/43/599951243.db2.gz FKDPWHUYGZTVDP-GJZGRUSLSA-N -1 3 354.450 3.202 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)C[C@@H](C)c1ccccc1 ZINC000821741764 607408844 /nfs/dbraw/zinc/40/88/44/607408844.db2.gz RQBYTJIDXRAGET-CYBMUJFWSA-N -1 3 352.394 3.112 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)C[C@@H](C)c1ccccc1 ZINC000821741764 607408845 /nfs/dbraw/zinc/40/88/45/607408845.db2.gz RQBYTJIDXRAGET-CYBMUJFWSA-N -1 3 352.394 3.112 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)CCCc1cccs1 ZINC000821741948 607410428 /nfs/dbraw/zinc/41/04/28/607410428.db2.gz VSWMEZQXSNSJFF-UHFFFAOYSA-N -1 3 358.423 3.003 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)CCCc1cccs1 ZINC000821741948 607410430 /nfs/dbraw/zinc/41/04/30/607410430.db2.gz VSWMEZQXSNSJFF-UHFFFAOYSA-N -1 3 358.423 3.003 20 0 FGADHM CN(C)CCN(CC1CCCCC1)C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000737369465 600064435 /nfs/dbraw/zinc/06/44/35/600064435.db2.gz JBQDAAFEQDIZSU-UHFFFAOYSA-N -1 3 360.498 3.288 20 0 FGADHM CN(C)CCN(Cc1cccc(F)c1)C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000737369336 600065365 /nfs/dbraw/zinc/06/53/65/600065365.db2.gz GIYNOHKPUNHGGZ-UHFFFAOYSA-N -1 3 372.440 3.047 20 0 FGADHM O=C(CCc1c[nH]c2ccccc12)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826407904 607418124 /nfs/dbraw/zinc/41/81/24/607418124.db2.gz HETUAROSZKWAMP-UHFFFAOYSA-N -1 3 372.432 3.086 20 0 FGADHM O=C(CCc1c[nH]c2ccccc12)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826407904 607418125 /nfs/dbraw/zinc/41/81/25/607418125.db2.gz HETUAROSZKWAMP-UHFFFAOYSA-N -1 3 372.432 3.086 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)c1cc2cc(F)ccc2o1 ZINC000821745341 607419209 /nfs/dbraw/zinc/41/92/09/607419209.db2.gz QRDGDJADGMPQMA-UHFFFAOYSA-N -1 3 368.324 3.118 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)c1cc2cc(F)ccc2o1 ZINC000821745341 607419212 /nfs/dbraw/zinc/41/92/12/607419212.db2.gz QRDGDJADGMPQMA-UHFFFAOYSA-N -1 3 368.324 3.118 20 0 FGADHM O=C(NC1(c2cccc(-c3nnn[n-]3)c2)CC1)C1C2CC3CC(C2)CC1C3 ZINC000826427525 607423074 /nfs/dbraw/zinc/42/30/74/607423074.db2.gz SPHJHIOVFGMTTB-UHFFFAOYSA-N -1 3 363.465 3.044 20 0 FGADHM O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)C1C2CC3CC(C2)CC1C3 ZINC000826427525 607423076 /nfs/dbraw/zinc/42/30/76/607423076.db2.gz SPHJHIOVFGMTTB-UHFFFAOYSA-N -1 3 363.465 3.044 20 0 FGADHM Cc1cc(C(=O)NC2CCN([C@H](C(=O)[O-])c3ccc(F)cc3)CC2)c(C)o1 ZINC000738329312 600145075 /nfs/dbraw/zinc/14/50/75/600145075.db2.gz BRBHTSJEUOTIEG-SFHVURJKSA-N -1 3 374.412 3.056 20 0 FGADHM O=C(C[C@@H]1CCc2ccccc21)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826405183 607425814 /nfs/dbraw/zinc/42/58/14/607425814.db2.gz XQHLXXXWOKUAKZ-HNNXBMFYSA-N -1 3 359.433 3.092 20 0 FGADHM O=C(C[C@@H]1CCc2ccccc21)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826405183 607425816 /nfs/dbraw/zinc/42/58/16/607425816.db2.gz XQHLXXXWOKUAKZ-HNNXBMFYSA-N -1 3 359.433 3.092 20 0 FGADHM CC(C)Oc1ccc(NC(=O)N2CCC[C@H]2C2CC2)cc1-c1nnn[n-]1 ZINC000820165480 607426198 /nfs/dbraw/zinc/42/61/98/607426198.db2.gz QPTFNQVYGICDIV-HNNXBMFYSA-N -1 3 356.430 3.060 20 0 FGADHM CC(C)Oc1ccc(NC(=O)N2CCC[C@H]2C2CC2)cc1-c1nn[n-]n1 ZINC000820165480 607426199 /nfs/dbraw/zinc/42/61/99/607426199.db2.gz QPTFNQVYGICDIV-HNNXBMFYSA-N -1 3 356.430 3.060 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(CC(F)(F)F)[C@H](C)C(C)C ZINC000826243970 607432049 /nfs/dbraw/zinc/43/20/49/607432049.db2.gz CBHXPGUDIHJZRI-LLVKDONJSA-N -1 3 355.364 3.224 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(CC(F)(F)F)[C@H](C)C(C)C ZINC000826243970 607432050 /nfs/dbraw/zinc/43/20/50/607432050.db2.gz CBHXPGUDIHJZRI-LLVKDONJSA-N -1 3 355.364 3.224 20 0 FGADHM O=C([O-])[C@H]1CC12CCN(Cn1c3ccccc3nc1SC(F)F)CC2 ZINC000739536580 600279932 /nfs/dbraw/zinc/27/99/32/600279932.db2.gz NJUUXWLUYNALQQ-LLVKDONJSA-N -1 3 367.421 3.495 20 0 FGADHM C[C@H](CSc1ccc(F)cc1)C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000824447657 607436243 /nfs/dbraw/zinc/43/62/43/607436243.db2.gz ABIWEBMRMORLFO-GFCCVEGCSA-N -1 3 371.441 3.397 20 0 FGADHM C[C@H](CSc1ccc(F)cc1)C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000824447657 607436244 /nfs/dbraw/zinc/43/62/44/607436244.db2.gz ABIWEBMRMORLFO-GFCCVEGCSA-N -1 3 371.441 3.397 20 0 FGADHM O=C([O-])CCN(CCOc1cccc(F)c1)Cc1ccc(F)c(F)c1 ZINC000652474632 600326978 /nfs/dbraw/zinc/32/69/78/600326978.db2.gz WTAUTSCBJWIRKO-UHFFFAOYSA-N -1 3 353.340 3.460 20 0 FGADHM CN(C)C[C@@H](NC(=O)Nc1ccc(CN(C)C(=O)[O-])cc1)c1ccccc1 ZINC000737360183 600348307 /nfs/dbraw/zinc/34/83/07/600348307.db2.gz JBVPRRAGXHDSCU-GOSISDBHSA-N -1 3 370.453 3.221 20 0 FGADHM O=C([O-])c1ccc(NC(=O)N[C@H](CN2CCCC2)c2ccccc2)c(F)c1 ZINC000739466286 600399861 /nfs/dbraw/zinc/39/98/61/600399861.db2.gz AFDLLRLSUKFLBK-GOSISDBHSA-N -1 3 371.412 3.483 20 0 FGADHM C[C@@H](CNC(=O)Nc1ccc(C(=O)[O-])cc1F)N(C)Cc1ccccc1 ZINC000390589285 600402038 /nfs/dbraw/zinc/40/20/38/600402038.db2.gz YWLVWVSCBINOTM-ZDUSSCGKSA-N -1 3 359.401 3.166 20 0 FGADHM Cc1conc1NC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822410144 607441399 /nfs/dbraw/zinc/44/13/99/607441399.db2.gz XNFCSLBQWISBRX-UHFFFAOYSA-N -1 3 362.349 3.208 20 0 FGADHM CCc1ccc([C@H]2CCCN2C[C@@H](O)COc2ccc(C(=O)[O-])cc2)o1 ZINC000577499618 600410957 /nfs/dbraw/zinc/41/09/57/600410957.db2.gz DHHMTNOYSQKSJT-CRAIPNDOSA-N -1 3 359.422 3.117 20 0 FGADHM CN(C(=O)c1cc2c(s1)CCCCC2)c1ccc(-c2nnn[n-]2)cc1 ZINC000825825636 607442333 /nfs/dbraw/zinc/44/23/33/607442333.db2.gz GINOIBCAWOTXDT-UHFFFAOYSA-N -1 3 353.451 3.474 20 0 FGADHM CN(C(=O)c1cc2c(s1)CCCCC2)c1ccc(-c2nn[n-]n2)cc1 ZINC000825825636 607442335 /nfs/dbraw/zinc/44/23/35/607442335.db2.gz GINOIBCAWOTXDT-UHFFFAOYSA-N -1 3 353.451 3.474 20 0 FGADHM O=C([O-])[C@H](NCc1ccc(N2CCCC2=O)cc1)c1cccc(Cl)c1 ZINC000739501251 600419948 /nfs/dbraw/zinc/41/99/48/600419948.db2.gz UWGHRVPPPILPLR-GOSISDBHSA-N -1 3 358.825 3.382 20 0 FGADHM CCOc1c(OC)cc(CN[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1OC ZINC000737179758 600430708 /nfs/dbraw/zinc/43/07/08/600430708.db2.gz SFKXDXJJWRKNTE-QGZVFWFLSA-N -1 3 363.385 3.157 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)c1cc(Cl)nc(Cl)c1 ZINC000826254023 607444185 /nfs/dbraw/zinc/44/41/85/607444185.db2.gz QEMWIFYUTZYECD-UHFFFAOYSA-N -1 3 364.192 3.234 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)c1cc(Cl)nc(Cl)c1 ZINC000826254023 607444186 /nfs/dbraw/zinc/44/41/86/607444186.db2.gz QEMWIFYUTZYECD-UHFFFAOYSA-N -1 3 364.192 3.234 20 0 FGADHM CC(C)N(CCC(=O)[O-])CC(=O)Nc1ccccc1Cc1ccccc1 ZINC000736466460 600446282 /nfs/dbraw/zinc/44/62/82/600446282.db2.gz YVZZNGTWCOUFKP-UHFFFAOYSA-N -1 3 354.450 3.401 20 0 FGADHM CN1CCC(N(C(=O)CCc2ccc(C(=O)[O-])cc2)c2ccccc2)CC1 ZINC000737508122 600478123 /nfs/dbraw/zinc/47/81/23/600478123.db2.gz HCPRWSOIUJVGTO-UHFFFAOYSA-N -1 3 366.461 3.445 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)Nc1n[nH]c2c1cccc2Cl ZINC000822936050 607449999 /nfs/dbraw/zinc/44/99/99/607449999.db2.gz RPDFGBHFUSCVHW-HJWRWDBZSA-N -1 3 365.784 3.048 20 0 FGADHM Cc1[nH]c(C(=O)N(CCN2CCCC2)c2ccccc2)c(C)c1C(=O)[O-] ZINC000738159524 600551974 /nfs/dbraw/zinc/55/19/74/600551974.db2.gz LSLOJFOLMIYQNB-UHFFFAOYSA-N -1 3 355.438 3.072 20 0 FGADHM CCC1CCC(NC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)CC1 ZINC000825193127 607454010 /nfs/dbraw/zinc/45/40/10/607454010.db2.gz KQKJVSLOHIQTDM-UHFFFAOYSA-N -1 3 354.458 3.124 20 0 FGADHM CCC1CCC(NC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)CC1 ZINC000825193127 607454012 /nfs/dbraw/zinc/45/40/12/607454012.db2.gz KQKJVSLOHIQTDM-UHFFFAOYSA-N -1 3 354.458 3.124 20 0 FGADHM CC[C@H](NC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1ccccc1 ZINC000825134805 607455128 /nfs/dbraw/zinc/45/51/28/607455128.db2.gz WYBWKXDSPPVSOK-KRWDZBQOSA-N -1 3 362.437 3.306 20 0 FGADHM CC[C@H](NC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1ccccc1 ZINC000825134805 607455130 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Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1nnc(C2CCCCC2)s1 ZINC000826251162 607669535 /nfs/dbraw/zinc/66/95/35/607669535.db2.gz HGXRBXUZZJIFIW-UHFFFAOYSA-N -1 3 369.454 3.327 20 0 FGADHM Cc1ccc(CN(C)C)cc1NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)[O-] ZINC000830307796 604083707 /nfs/dbraw/zinc/08/37/07/604083707.db2.gz FNQOGOCEUCHNAS-NXHRZFHOSA-N -1 3 359.470 3.306 20 0 FGADHM CN(C)CCN(C(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-])C1CCCC1 ZINC000828024393 604085405 /nfs/dbraw/zinc/08/54/05/604085405.db2.gz NQCONBRYBCGTAF-UHFFFAOYSA-N -1 3 374.485 3.455 20 0 FGADHM CN(C[C@@H]1CCCN1Cc1ccc(OCc2cccnc2)cc1)C(=O)[O-] ZINC000828231261 604092446 /nfs/dbraw/zinc/09/24/46/604092446.db2.gz ZPQLQXDKGORNIQ-SFHVURJKSA-N -1 3 355.438 3.235 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1cccc(COC(C)C)c1 ZINC000826250715 607671749 /nfs/dbraw/zinc/67/17/49/607671749.db2.gz OSAZOKXDNGBIEP-UHFFFAOYSA-N -1 3 351.410 3.352 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1cccc(COC(C)C)c1 ZINC000826250715 607671751 /nfs/dbraw/zinc/67/17/51/607671751.db2.gz OSAZOKXDNGBIEP-UHFFFAOYSA-N -1 3 351.410 3.352 20 0 FGADHM O=C([O-])NCCCOC1CCN(Cc2ccc(F)c3cccnc23)CC1 ZINC000832633607 604108597 /nfs/dbraw/zinc/10/85/97/604108597.db2.gz UUEHNYCVUGRTTI-UHFFFAOYSA-N -1 3 361.417 3.013 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NCCCc1cccc(Cl)c1 ZINC000826248843 607675609 /nfs/dbraw/zinc/67/56/09/607675609.db2.gz ZAYIZSKMRLFCDG-UHFFFAOYSA-N -1 3 355.829 3.191 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NCCCc1cccc(Cl)c1 ZINC000826248843 607675610 /nfs/dbraw/zinc/67/56/10/607675610.db2.gz ZAYIZSKMRLFCDG-UHFFFAOYSA-N -1 3 355.829 3.191 20 0 FGADHM Cc1ccc(C)c(OCCCOC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826284949 607675741 /nfs/dbraw/zinc/67/57/41/607675741.db2.gz LIANURDMSQNYPT-UHFFFAOYSA-N -1 3 352.394 3.109 20 0 FGADHM Cc1ccc(C)c(OCCCOC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826284949 607675743 /nfs/dbraw/zinc/67/57/43/607675743.db2.gz LIANURDMSQNYPT-UHFFFAOYSA-N -1 3 352.394 3.109 20 0 FGADHM C[C@H](NC(=O)[O-])[C@@H]1CCCN(Cc2ccc(SC(=O)N(C)C)cc2)C1 ZINC000825264605 604181701 /nfs/dbraw/zinc/18/17/01/604181701.db2.gz LTKITFLXYNICLO-DZGCQCFKSA-N -1 3 365.499 3.328 20 0 FGADHM CC(C)c1ccc(CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C2CC2)cc1 ZINC000824347990 607685254 /nfs/dbraw/zinc/68/52/54/607685254.db2.gz VPLQEBBRWWBYOS-UHFFFAOYSA-N -1 3 350.426 3.123 20 0 FGADHM CC(C)c1ccc(CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C2CC2)cc1 ZINC000824347990 607685256 /nfs/dbraw/zinc/68/52/56/607685256.db2.gz VPLQEBBRWWBYOS-UHFFFAOYSA-N -1 3 350.426 3.123 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000826246734 607694046 /nfs/dbraw/zinc/69/40/46/607694046.db2.gz KHEFRHDHWKIJNY-APWZRJJASA-N -1 3 361.449 3.316 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000826246734 607694047 /nfs/dbraw/zinc/69/40/47/607694047.db2.gz KHEFRHDHWKIJNY-APWZRJJASA-N -1 3 361.449 3.316 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCC(c2ccccc2F)CC1 ZINC000826245019 607694176 /nfs/dbraw/zinc/69/41/76/607694176.db2.gz LIGZCDSKXIVUMS-UHFFFAOYSA-N -1 3 365.412 3.334 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCC(c2ccccc2F)CC1 ZINC000826245019 607694177 /nfs/dbraw/zinc/69/41/77/607694177.db2.gz LIGZCDSKXIVUMS-UHFFFAOYSA-N -1 3 365.412 3.334 20 0 FGADHM C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)Nc2cc(C(=O)[O-])cs2)C1 ZINC000827949322 604487747 /nfs/dbraw/zinc/48/77/47/604487747.db2.gz KPKINPMLUYMRJB-SWLSCSKDSA-N -1 3 359.451 3.403 20 0 FGADHM O=C([O-])c1csc(NC(=O)N[C@@H](CN2CCCC2)c2ccccc2)c1 ZINC000833152296 604496084 /nfs/dbraw/zinc/49/60/84/604496084.db2.gz ZVRGPGKKYROAIB-HNNXBMFYSA-N -1 3 359.451 3.405 20 0 FGADHM COc1ccc(N(C)C(=O)c2ccc(-c3nnn[n-]3)cc2C)cc1Cl ZINC000826209243 607704688 /nfs/dbraw/zinc/70/46/88/607704688.db2.gz SPFOZDJRFSUYAK-UHFFFAOYSA-N -1 3 357.801 3.114 20 0 FGADHM COc1ccc(N(C)C(=O)c2ccc(-c3nn[n-]n3)cc2C)cc1Cl ZINC000826209243 607704690 /nfs/dbraw/zinc/70/46/90/607704690.db2.gz SPFOZDJRFSUYAK-UHFFFAOYSA-N -1 3 357.801 3.114 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCc2c(F)cc(F)cc2[C@@H]1C ZINC000826245784 607706282 /nfs/dbraw/zinc/70/62/82/607706282.db2.gz IFIDVDRGJYBVBQ-NSHDSACASA-N -1 3 369.375 3.213 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCc2c(F)cc(F)cc2[C@@H]1C ZINC000826245784 607706283 /nfs/dbraw/zinc/70/62/83/607706283.db2.gz IFIDVDRGJYBVBQ-NSHDSACASA-N -1 3 369.375 3.213 20 0 FGADHM O=C(Nc1cccc(COC2CCCCC2)c1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826456638 607709576 /nfs/dbraw/zinc/70/95/76/607709576.db2.gz POZWUUXYVKQZDD-UHFFFAOYSA-N -1 3 366.425 3.296 20 0 FGADHM O=C(Nc1cccc(COC2CCCCC2)c1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826456638 607709578 /nfs/dbraw/zinc/70/95/78/607709578.db2.gz POZWUUXYVKQZDD-UHFFFAOYSA-N -1 3 366.425 3.296 20 0 FGADHM C[C@H](CN(CC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)C1CC1)C(=O)[O-] ZINC000827450764 604746102 /nfs/dbraw/zinc/74/61/02/604746102.db2.gz ZUODICYRFMNBTL-MNOVXSKESA-N -1 3 373.280 3.356 20 0 FGADHM CC(C)(C(=O)[O-])[C@H]1CCCN(CC(=O)Nc2ccc(N3CCCC3)cc2)C1 ZINC000833420931 604929252 /nfs/dbraw/zinc/92/92/52/604929252.db2.gz CJVUYZCFPYANJL-INIZCTEOSA-N -1 3 373.497 3.048 20 0 FGADHM C[C@H](C(=O)Nc1ccc(Cl)cc1)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000833409946 604933758 /nfs/dbraw/zinc/93/37/58/604933758.db2.gz UDCCBCVDLIYTJE-CHWSQXEVSA-N -1 3 352.862 3.490 20 0 FGADHM CC(C)(C(=O)[O-])[C@H]1CCCN(CC(=O)NCCCC2CCCCC2)C1 ZINC000833421712 604950823 /nfs/dbraw/zinc/95/08/23/604950823.db2.gz ZMJDPBKUGUIGQP-KRWDZBQOSA-N -1 3 352.519 3.286 20 0 FGADHM C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1Cc1ccc(F)cc1C(=O)[O-] ZINC000833599402 604972703 /nfs/dbraw/zinc/97/27/03/604972703.db2.gz DTUHJQUFPSENQB-WFASDCNBSA-N -1 3 366.433 3.402 20 0 FGADHM O=C(N[C@H](c1ccc(Cl)cc1)C1CCC1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826427633 607727848 /nfs/dbraw/zinc/72/78/48/607727848.db2.gz VTYZBNRYGVEBKB-HNNXBMFYSA-N -1 3 356.817 3.119 20 0 FGADHM O=C(N[C@H](c1ccc(Cl)cc1)C1CCC1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826427633 607727849 /nfs/dbraw/zinc/72/78/49/607727849.db2.gz VTYZBNRYGVEBKB-HNNXBMFYSA-N -1 3 356.817 3.119 20 0 FGADHM C[C@H](c1ccc(C(=O)[O-])o1)N1C[C@@H](CNC(=O)OC(C)(C)C)C[C@H]1C ZINC000833596376 605049340 /nfs/dbraw/zinc/04/93/40/605049340.db2.gz NALFNVHPZUJAAK-JHJVBQTASA-N -1 3 352.431 3.274 20 0 FGADHM CC1(C)CC[C@H](C(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)C1 ZINC000833558187 605082976 /nfs/dbraw/zinc/08/29/76/605082976.db2.gz UJNWSTXODHEGRD-UWJYYQICSA-N -1 3 358.482 3.048 20 0 FGADHM O=C([O-])c1ccc(OC[C@@H](O)CNC2(c3ccc(Cl)cc3)CC2)cc1 ZINC000833782636 605138179 /nfs/dbraw/zinc/13/81/79/605138179.db2.gz PGELGJMXWBINQO-INIZCTEOSA-N -1 3 361.825 3.057 20 0 FGADHM CC(C)(C(=O)[O-])[C@H](NCC(=O)N(C1CC1)C1CCCC1)c1ccccc1 ZINC000833415502 605184758 /nfs/dbraw/zinc/18/47/58/605184758.db2.gz WBRMEXAIVVHNBE-LJQANCHMSA-N -1 3 358.482 3.362 20 0 FGADHM CC(C)(C(=O)[O-])[C@H](NCC(=O)Nc1ccc(Cl)cn1)c1ccccc1 ZINC000833415804 605185725 /nfs/dbraw/zinc/18/57/25/605185725.db2.gz XRSBVDGECYTPIT-MRXNPFEDSA-N -1 3 361.829 3.115 20 0 FGADHM Cc1ccccc1C1CC(N(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C2CC2)C1 ZINC000826307036 607742946 /nfs/dbraw/zinc/74/29/46/607742946.db2.gz UKUGOUDPVLSCMD-UHFFFAOYSA-N -1 3 362.437 3.054 20 0 FGADHM Cc1ccccc1C1CC(N(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C2CC2)C1 ZINC000826307036 607742947 /nfs/dbraw/zinc/74/29/47/607742947.db2.gz UKUGOUDPVLSCMD-UHFFFAOYSA-N -1 3 362.437 3.054 20 0 FGADHM Cc1cc(C(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)ccc1NC(=O)[O-] ZINC000829940750 605330228 /nfs/dbraw/zinc/33/02/28/605330228.db2.gz PDGOJTHTSVZMAL-YJBOKZPZSA-N -1 3 367.449 3.478 20 0 FGADHM CCCN(Cc1nnc(-c2ccc(C)cc2)o1)C1CCN(C(=O)[O-])CC1 ZINC000826916071 605468980 /nfs/dbraw/zinc/46/89/80/605468980.db2.gz DNOWAIYUGOPGLX-UHFFFAOYSA-N -1 3 358.442 3.399 20 0 FGADHM CCOC(=O)Nc1ccc(NC(=O)[C@@H](C)C2CCCC2)cc1-c1nnn[n-]1 ZINC000825523288 607760590 /nfs/dbraw/zinc/76/05/90/607760590.db2.gz PJJJMGWGMQIADP-NSHDSACASA-N -1 3 372.429 3.200 20 0 FGADHM CCOC(=O)Nc1ccc(NC(=O)[C@@H](C)C2CCCC2)cc1-c1nn[n-]n1 ZINC000825523288 607760591 /nfs/dbraw/zinc/76/05/91/607760591.db2.gz PJJJMGWGMQIADP-NSHDSACASA-N -1 3 372.429 3.200 20 0 FGADHM Cc1cc(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)ccc1NC(=O)[O-] ZINC000829939637 605577794 /nfs/dbraw/zinc/57/77/94/605577794.db2.gz FXIDOCZQUWPUGU-KRWDZBQOSA-N -1 3 353.422 3.089 20 0 FGADHM Cc1cc(C(=O)N(CCN(C)C)Cc2cccs2)ccc1NC(=O)[O-] ZINC000829920138 605709716 /nfs/dbraw/zinc/70/97/16/605709716.db2.gz VOWCVWUWCAMHBC-UHFFFAOYSA-N -1 3 361.467 3.350 20 0 FGADHM O=C([O-])N1CCC(CN2C[C@@H](O)C[C@H]2c2cccc(C(F)(F)F)c2)CC1 ZINC000834075811 605879709 /nfs/dbraw/zinc/87/97/09/605879709.db2.gz UFNXUWWAJFMZEE-HOTGVXAUSA-N -1 3 372.387 3.203 20 0 FGADHM C[C@H](Nc1ccc(-c2nnn[n-]2)nc1)c1nc2ccccc2n1C(F)F ZINC000820455396 606032561 /nfs/dbraw/zinc/03/25/61/606032561.db2.gz IHKRPYPICPYGCG-VIFPVBQESA-N -1 3 356.340 3.180 20 0 FGADHM C[C@H](Nc1ccc(-c2nn[n-]n2)nc1)c1nc2ccccc2n1C(F)F ZINC000820455396 606032564 /nfs/dbraw/zinc/03/25/64/606032564.db2.gz IHKRPYPICPYGCG-VIFPVBQESA-N -1 3 356.340 3.180 20 0 FGADHM CN(C[C@H]1OCCc2ccccc21)c1nc2ccccc2cc1-c1nnn[n-]1 ZINC000821598293 606067153 /nfs/dbraw/zinc/06/71/53/606067153.db2.gz XFSSSXYENROVTI-LJQANCHMSA-N -1 3 372.432 3.165 20 0 FGADHM CN(C[C@H]1OCCc2ccccc21)c1nc2ccccc2cc1-c1nn[n-]n1 ZINC000821598293 606067159 /nfs/dbraw/zinc/06/71/59/606067159.db2.gz XFSSSXYENROVTI-LJQANCHMSA-N -1 3 372.432 3.165 20 0 FGADHM CN(Cc1nc(C(F)(F)F)cs1)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000821617133 606111630 /nfs/dbraw/zinc/11/16/30/606111630.db2.gz YDJKYWAGCPMZPP-UHFFFAOYSA-N -1 3 372.351 3.113 20 0 FGADHM CN(Cc1nc(C(F)(F)F)cs1)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000821617133 606111631 /nfs/dbraw/zinc/11/16/31/606111631.db2.gz YDJKYWAGCPMZPP-UHFFFAOYSA-N -1 3 372.351 3.113 20 0 FGADHM CCS[C@@H]1CCCC[C@H]1NC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000821456323 606130838 /nfs/dbraw/zinc/13/08/38/606130838.db2.gz OZRGWEYCIUFMMN-HZPDHXFCSA-N -1 3 374.514 3.072 20 0 FGADHM CCS[C@@H]1CCCC[C@H]1NC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000821456323 606130840 /nfs/dbraw/zinc/13/08/40/606130840.db2.gz OZRGWEYCIUFMMN-HZPDHXFCSA-N -1 3 374.514 3.072 20 0 FGADHM COc1ccc([C@H](C)CC(=O)OCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000821777250 606150732 /nfs/dbraw/zinc/15/07/32/606150732.db2.gz CMIUKJAKMBJWHM-GFCCVEGCSA-N -1 3 370.384 3.251 20 0 FGADHM COc1ccc([C@H](C)CC(=O)OCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000821777250 606150733 /nfs/dbraw/zinc/15/07/33/606150733.db2.gz CMIUKJAKMBJWHM-GFCCVEGCSA-N -1 3 370.384 3.251 20 0 FGADHM C[C@@H](NC(=S)Nc1ccccc1-c1nnn[n-]1)[C@H](C)c1ccccc1 ZINC000820403686 606167266 /nfs/dbraw/zinc/16/72/66/606167266.db2.gz KYPCZSZANUOISL-QWHCGFSZSA-N -1 3 352.467 3.345 20 0 FGADHM C[C@@H](NC(=S)Nc1ccccc1-c1nn[n-]n1)[C@H](C)c1ccccc1 ZINC000820403686 606167267 /nfs/dbraw/zinc/16/72/67/606167267.db2.gz KYPCZSZANUOISL-QWHCGFSZSA-N -1 3 352.467 3.345 20 0 FGADHM Fc1cccc(-c2cnc(COc3ccc(-c4nnn[n-]4)c(F)c3)o2)c1 ZINC000822786527 606172056 /nfs/dbraw/zinc/17/20/56/606172056.db2.gz MAOKDPSOWRUHFL-UHFFFAOYSA-N -1 3 355.304 3.379 20 0 FGADHM Fc1cccc(-c2cnc(COc3ccc(-c4nn[n-]n4)c(F)c3)o2)c1 ZINC000822786527 606172057 /nfs/dbraw/zinc/17/20/57/606172057.db2.gz MAOKDPSOWRUHFL-UHFFFAOYSA-N -1 3 355.304 3.379 20 0 FGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H]1CCCC1(C)C ZINC000820116320 606176394 /nfs/dbraw/zinc/17/63/94/606176394.db2.gz HDALSGXPEMFNAA-MRXNPFEDSA-N -1 3 356.474 3.365 20 0 FGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1CCCC1(C)C ZINC000820116320 606176396 /nfs/dbraw/zinc/17/63/96/606176396.db2.gz HDALSGXPEMFNAA-MRXNPFEDSA-N -1 3 356.474 3.365 20 0 FGADHM C[C@H]1CCC[C@H](C)N1C(=O)CSCc1ccc(F)cc1-c1nnn[n-]1 ZINC000820697729 606179106 /nfs/dbraw/zinc/17/91/06/606179106.db2.gz LBJZKAWAVUUTJJ-RYUDHWBXSA-N -1 3 363.462 3.029 20 0 FGADHM C[C@H]1CCC[C@H](C)N1C(=O)CSCc1ccc(F)cc1-c1nn[n-]n1 ZINC000820697729 606179107 /nfs/dbraw/zinc/17/91/07/606179107.db2.gz LBJZKAWAVUUTJJ-RYUDHWBXSA-N -1 3 363.462 3.029 20 0 FGADHM CN(C(=O)c1ccc(-c2nnn[n-]2)cn1)C1c2ccccc2-c2ccccc21 ZINC000821573245 606183164 /nfs/dbraw/zinc/18/31/64/606183164.db2.gz HIAXNHSMPRDZTA-UHFFFAOYSA-N -1 3 368.400 3.104 20 0 FGADHM CN(C(=O)c1ccc(-c2nn[n-]n2)cn1)C1c2ccccc2-c2ccccc21 ZINC000821573245 606183167 /nfs/dbraw/zinc/18/31/67/606183167.db2.gz HIAXNHSMPRDZTA-UHFFFAOYSA-N -1 3 368.400 3.104 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(C)ccc1F ZINC000821123432 606192791 /nfs/dbraw/zinc/19/27/91/606192791.db2.gz SAPAOOWKXDDFIX-UHFFFAOYSA-N -1 3 354.389 3.388 20 0 FGADHM Cc1ccccc1Cc1noc(CNc2cc(-c3nnn[n-]3)ccc2C)n1 ZINC000822362172 606197375 /nfs/dbraw/zinc/19/73/75/606197375.db2.gz NDTZXHDKCLFSIX-UHFFFAOYSA-N -1 3 361.409 3.069 20 0 FGADHM Cc1ccccc1Cc1noc(CNc2cc(-c3nn[n-]n3)ccc2C)n1 ZINC000822362172 606197377 /nfs/dbraw/zinc/19/73/77/606197377.db2.gz NDTZXHDKCLFSIX-UHFFFAOYSA-N -1 3 361.409 3.069 20 0 FGADHM COCCCOC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000821687784 606237053 /nfs/dbraw/zinc/23/70/53/606237053.db2.gz OKWMCYUSMKPSCX-UHFFFAOYSA-N -1 3 370.434 3.211 20 0 FGADHM COCCCOC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000821687784 606237054 /nfs/dbraw/zinc/23/70/54/606237054.db2.gz OKWMCYUSMKPSCX-UHFFFAOYSA-N -1 3 370.434 3.211 20 0 FGADHM CC(C)c1ccc(N[C@@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)cc1 ZINC000820192722 606245062 /nfs/dbraw/zinc/24/50/62/606245062.db2.gz WOFYEYRATNGCEW-OAHLLOKOSA-N -1 3 368.466 3.269 20 0 FGADHM CC(C)c1ccc(N[C@@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)cc1 ZINC000820192722 606245063 /nfs/dbraw/zinc/24/50/63/606245063.db2.gz WOFYEYRATNGCEW-OAHLLOKOSA-N -1 3 368.466 3.269 20 0 FGADHM C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000820563649 606252200 /nfs/dbraw/zinc/25/22/00/606252200.db2.gz SQPAUCUHSPOTKO-MRVPVSSYSA-N -1 3 365.224 3.335 20 0 FGADHM C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000820563649 606252201 /nfs/dbraw/zinc/25/22/01/606252201.db2.gz SQPAUCUHSPOTKO-MRVPVSSYSA-N -1 3 365.224 3.335 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)c1csc(-c2cccs2)n1 ZINC000823345620 606264022 /nfs/dbraw/zinc/26/40/22/606264022.db2.gz ATOUYZMDZMMPDW-UHFFFAOYSA-N -1 3 372.410 3.443 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)c1csc(-c2cccs2)n1 ZINC000823345620 606264024 /nfs/dbraw/zinc/26/40/24/606264024.db2.gz ATOUYZMDZMMPDW-UHFFFAOYSA-N -1 3 372.410 3.443 20 0 FGADHM C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1ccccc1Oc1ccccc1 ZINC000820385406 606266332 /nfs/dbraw/zinc/26/63/32/606266332.db2.gz RNQMOHIWGFBKRM-CYBMUJFWSA-N -1 3 374.404 3.478 20 0 FGADHM C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1ccccc1Oc1ccccc1 ZINC000820385406 606266334 /nfs/dbraw/zinc/26/63/34/606266334.db2.gz RNQMOHIWGFBKRM-CYBMUJFWSA-N -1 3 374.404 3.478 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)C(F)(F)c1cccc(Cl)c1 ZINC000823337874 606268948 /nfs/dbraw/zinc/26/89/48/606268948.db2.gz UVEOICYNIMJVDI-UHFFFAOYSA-N -1 3 367.718 3.390 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)C(F)(F)c1cccc(Cl)c1 ZINC000823337874 606268949 /nfs/dbraw/zinc/26/89/49/606268949.db2.gz UVEOICYNIMJVDI-UHFFFAOYSA-N -1 3 367.718 3.390 20 0 FGADHM O=C(NC1CCC1)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000823144725 606271551 /nfs/dbraw/zinc/27/15/51/606271551.db2.gz KUBDAUIONSIPHD-UHFFFAOYSA-N -1 3 351.435 3.300 20 0 FGADHM O=C(NC1CCC1)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000823144725 606271553 /nfs/dbraw/zinc/27/15/53/606271553.db2.gz KUBDAUIONSIPHD-UHFFFAOYSA-N -1 3 351.435 3.300 20 0 FGADHM C[C@@H](CSc1ccccc1)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820294149 606271676 /nfs/dbraw/zinc/27/16/76/606271676.db2.gz RKQZKNDUXUOVFF-NSHDSACASA-N -1 3 357.414 3.373 20 0 FGADHM C[C@@H](CSc1ccccc1)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820294149 606271678 /nfs/dbraw/zinc/27/16/78/606271678.db2.gz RKQZKNDUXUOVFF-NSHDSACASA-N -1 3 357.414 3.373 20 0 FGADHM Cc1nc(Cl)sc1C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000822450031 606313718 /nfs/dbraw/zinc/31/37/18/606313718.db2.gz ZUVFZAAVWAVCAM-UHFFFAOYSA-N -1 3 355.210 3.191 20 0 FGADHM Cc1nc(Cl)sc1C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000822450031 606313720 /nfs/dbraw/zinc/31/37/20/606313720.db2.gz ZUVFZAAVWAVCAM-UHFFFAOYSA-N -1 3 355.210 3.191 20 0 FGADHM COc1ccc(C(=O)[C@@H](C)Sc2cccc(-c3nnn[n-]3)c2)cc1OC ZINC000821770125 606328969 /nfs/dbraw/zinc/32/89/69/606328969.db2.gz PQQYDHRMGKTDDX-LLVKDONJSA-N -1 3 370.434 3.247 20 0 FGADHM COc1ccc(C(=O)[C@@H](C)Sc2cccc(-c3nn[n-]n3)c2)cc1OC ZINC000821770125 606328970 /nfs/dbraw/zinc/32/89/70/606328970.db2.gz PQQYDHRMGKTDDX-LLVKDONJSA-N -1 3 370.434 3.247 20 0 FGADHM Cc1ccc(OCC(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000822263349 606341832 /nfs/dbraw/zinc/34/18/32/606341832.db2.gz NSUUKGVCDLMEJT-CQSZACIVSA-N -1 3 352.394 3.167 20 0 FGADHM Cc1ccc(OCC(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000822263349 606341834 /nfs/dbraw/zinc/34/18/34/606341834.db2.gz NSUUKGVCDLMEJT-CQSZACIVSA-N -1 3 352.394 3.167 20 0 FGADHM C[C@H](NC(=O)N1[C@H](C)C[C@@H]2CCCC[C@H]21)c1ccc(-c2nnn[n-]2)cc1 ZINC000820340210 606342206 /nfs/dbraw/zinc/34/22/06/606342206.db2.gz IKQASHLPWQOENW-OSRSDYAFSA-N -1 3 354.458 3.290 20 0 FGADHM C[C@H](NC(=O)N1[C@H](C)C[C@@H]2CCCC[C@H]21)c1ccc(-c2nn[n-]n2)cc1 ZINC000820340210 606342208 /nfs/dbraw/zinc/34/22/08/606342208.db2.gz IKQASHLPWQOENW-OSRSDYAFSA-N -1 3 354.458 3.290 20 0 FGADHM COc1cc(C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc(OC)c1C ZINC000821702913 606344478 /nfs/dbraw/zinc/34/44/78/606344478.db2.gz GTVIUIQVOYWGSS-LBPRGKRZSA-N -1 3 368.393 3.110 20 0 FGADHM COc1cc(C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc(OC)c1C ZINC000821702913 606344480 /nfs/dbraw/zinc/34/44/80/606344480.db2.gz GTVIUIQVOYWGSS-LBPRGKRZSA-N -1 3 368.393 3.110 20 0 FGADHM C[C@@H](Oc1ccc(F)cc1)C(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820536989 606344818 /nfs/dbraw/zinc/34/48/18/606344818.db2.gz ZOFNSBOPCHZUHA-VXGBXAGGSA-N -1 3 356.357 3.078 20 0 FGADHM C[C@@H](Oc1ccc(F)cc1)C(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820536989 606344821 /nfs/dbraw/zinc/34/48/21/606344821.db2.gz ZOFNSBOPCHZUHA-VXGBXAGGSA-N -1 3 356.357 3.078 20 0 FGADHM Cc1cccc(O[C@@H](C)C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822328449 606346871 /nfs/dbraw/zinc/34/68/71/606346871.db2.gz QBAUKHWEJZWXNW-KBPBESRZSA-N -1 3 352.394 3.247 20 0 FGADHM Cc1cccc(O[C@@H](C)C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822328449 606346873 /nfs/dbraw/zinc/34/68/73/606346873.db2.gz QBAUKHWEJZWXNW-KBPBESRZSA-N -1 3 352.394 3.247 20 0 FGADHM C[C@@H](OC(=O)Cc1c[nH]c2cc(F)ccc12)c1ccc(-c2nnn[n-]2)cc1 ZINC000820494920 606347848 /nfs/dbraw/zinc/34/78/48/606347848.db2.gz CZWYLRNPXGXLQP-LLVKDONJSA-N -1 3 365.368 3.334 20 0 FGADHM C[C@@H](OC(=O)Cc1c[nH]c2cc(F)ccc12)c1ccc(-c2nn[n-]n2)cc1 ZINC000820494920 606347851 /nfs/dbraw/zinc/34/78/51/606347851.db2.gz CZWYLRNPXGXLQP-LLVKDONJSA-N -1 3 365.368 3.334 20 0 FGADHM C[C@H](OC(=O)[C@H]1Cc2cc(Cl)ccc2O1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820488091 606348755 /nfs/dbraw/zinc/34/87/55/606348755.db2.gz KXDXZNHKXPHHAM-MGPLVRAMSA-N -1 3 370.796 3.128 20 0 FGADHM C[C@H](OC(=O)[C@H]1Cc2cc(Cl)ccc2O1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820488091 606348756 /nfs/dbraw/zinc/34/87/56/606348756.db2.gz KXDXZNHKXPHHAM-MGPLVRAMSA-N -1 3 370.796 3.128 20 0 FGADHM Cc1ccccc1C[C@@H](C)NC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000822355936 606349593 /nfs/dbraw/zinc/34/95/93/606349593.db2.gz CEJAMRGYUONWOF-GFCCVEGCSA-N -1 3 354.389 3.067 20 0 FGADHM Cc1ccccc1C[C@@H](C)NC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000822355936 606349595 /nfs/dbraw/zinc/34/95/95/606349595.db2.gz CEJAMRGYUONWOF-GFCCVEGCSA-N -1 3 354.389 3.067 20 0 FGADHM COc1ccc([C@H](C)C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821778090 606351584 /nfs/dbraw/zinc/35/15/84/606351584.db2.gz TZANPCPDENSBEB-STQMWFEESA-N -1 3 352.394 3.283 20 0 FGADHM COc1ccc([C@H](C)C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821778090 606351585 /nfs/dbraw/zinc/35/15/85/606351585.db2.gz TZANPCPDENSBEB-STQMWFEESA-N -1 3 352.394 3.283 20 0 FGADHM C[C@H](OC(=O)C=Cc1cnc2ccccc2n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820488540 606352516 /nfs/dbraw/zinc/35/25/16/606352516.db2.gz PCHNTWIQKYWVNZ-OEYXZAGESA-N -1 3 372.388 3.128 20 0 FGADHM C[C@H](OC(=O)C=Cc1cnc2ccccc2n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820488540 606352518 /nfs/dbraw/zinc/35/25/18/606352518.db2.gz PCHNTWIQKYWVNZ-OEYXZAGESA-N -1 3 372.388 3.128 20 0 FGADHM C[C@H](OC(=O)CCCOc1ccc(F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820495645 606356027 /nfs/dbraw/zinc/35/60/27/606356027.db2.gz IOSNXLUWTNMEES-ZDUSSCGKSA-N -1 3 370.384 3.469 20 0 FGADHM C[C@H](OC(=O)CCCOc1ccc(F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820495645 606356028 /nfs/dbraw/zinc/35/60/28/606356028.db2.gz IOSNXLUWTNMEES-ZDUSSCGKSA-N -1 3 370.384 3.469 20 0 FGADHM CCN(C(=O)Nc1ccc(F)cc1-c1nnn[n-]1)[C@@H](C)c1cccnc1 ZINC000821153393 606358591 /nfs/dbraw/zinc/35/85/91/606358591.db2.gz ALMQOTOPWQOAOD-NSHDSACASA-N -1 3 355.377 3.016 20 0 FGADHM CCN(C(=O)Nc1ccc(F)cc1-c1nn[n-]n1)[C@@H](C)c1cccnc1 ZINC000821153393 606358592 /nfs/dbraw/zinc/35/85/92/606358592.db2.gz ALMQOTOPWQOAOD-NSHDSACASA-N -1 3 355.377 3.016 20 0 FGADHM C[C@@H](NC(=O)Nc1ccc(F)cc1-c1nnn[n-]1)[C@H](C)c1ccccc1 ZINC000820379752 606358807 /nfs/dbraw/zinc/35/88/07/606358807.db2.gz GJRSUJSFMDKPTI-NWDGAFQWSA-N -1 3 354.389 3.320 20 0 FGADHM C[C@@H](NC(=O)Nc1ccc(F)cc1-c1nn[n-]n1)[C@H](C)c1ccccc1 ZINC000820379752 606358809 /nfs/dbraw/zinc/35/88/09/606358809.db2.gz GJRSUJSFMDKPTI-NWDGAFQWSA-N -1 3 354.389 3.320 20 0 FGADHM CC[C@H]1CCc2ccccc2N1C(=O)COc1ccccc1-c1nnn[n-]1 ZINC000820989745 606373694 /nfs/dbraw/zinc/37/36/94/606373694.db2.gz ZZTJOMAWDRDVOG-HNNXBMFYSA-N -1 3 363.421 3.004 20 0 FGADHM CC[C@H]1CCc2ccccc2N1C(=O)COc1ccccc1-c1nn[n-]n1 ZINC000820989745 606373696 /nfs/dbraw/zinc/37/36/96/606373696.db2.gz ZZTJOMAWDRDVOG-HNNXBMFYSA-N -1 3 363.421 3.004 20 0 FGADHM C[C@H](Nc1cccc(F)c1-c1nnn[n-]1)[C@@H](O)c1c(F)cccc1Cl ZINC000820461074 606419480 /nfs/dbraw/zinc/41/94/80/606419480.db2.gz DVXRAGVYIJPDGU-VXJOIVPMSA-N -1 3 365.771 3.332 20 0 FGADHM C[C@H](Nc1cccc(F)c1-c1nn[n-]n1)[C@@H](O)c1c(F)cccc1Cl ZINC000820461074 606419481 /nfs/dbraw/zinc/41/94/81/606419481.db2.gz DVXRAGVYIJPDGU-VXJOIVPMSA-N -1 3 365.771 3.332 20 0 FGADHM Cc1cc([C@H](C)NC(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)ccc1F ZINC000822191756 606440502 /nfs/dbraw/zinc/44/05/02/606440502.db2.gz PPWMISNIFYXBMV-STQMWFEESA-N -1 3 368.416 3.436 20 0 FGADHM Cc1cc([C@H](C)NC(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)ccc1F ZINC000822191756 606440503 /nfs/dbraw/zinc/44/05/03/606440503.db2.gz PPWMISNIFYXBMV-STQMWFEESA-N -1 3 368.416 3.436 20 0 FGADHM COc1ccc(OC)c([C@@H](C)Nc2c(F)cc(-c3nnn[n-]3)cc2F)c1 ZINC000821842648 606443670 /nfs/dbraw/zinc/44/36/70/606443670.db2.gz UZEKEJXUVFIORL-SECBINFHSA-N -1 3 361.352 3.335 20 0 FGADHM COc1ccc(OC)c([C@@H](C)Nc2c(F)cc(-c3nn[n-]n3)cc2F)c1 ZINC000821842648 606443672 /nfs/dbraw/zinc/44/36/72/606443672.db2.gz UZEKEJXUVFIORL-SECBINFHSA-N -1 3 361.352 3.335 20 0 FGADHM O=C(c1ccc(-c2nnn[n-]2)cc1)N1CCC(c2cccc(F)c2)CC1 ZINC000823478920 606449082 /nfs/dbraw/zinc/44/90/82/606449082.db2.gz WWLKZGDDWNPOPA-UHFFFAOYSA-N -1 3 351.385 3.026 20 0 FGADHM O=C(c1ccc(-c2nn[n-]n2)cc1)N1CCC(c2cccc(F)c2)CC1 ZINC000823478920 606449084 /nfs/dbraw/zinc/44/90/84/606449084.db2.gz WWLKZGDDWNPOPA-UHFFFAOYSA-N -1 3 351.385 3.026 20 0 FGADHM CCOc1cc2c(cc1NCc1cc(-c3nnn[n-]3)ccc1F)O[C@H](C)C2 ZINC000821400621 606452103 /nfs/dbraw/zinc/45/21/03/606452103.db2.gz MOLSNLOGYOZGQU-LLVKDONJSA-N -1 3 369.400 3.340 20 0 FGADHM CCOc1cc2c(cc1NCc1cc(-c3nn[n-]n3)ccc1F)O[C@H](C)C2 ZINC000821400621 606452104 /nfs/dbraw/zinc/45/21/04/606452104.db2.gz MOLSNLOGYOZGQU-LLVKDONJSA-N -1 3 369.400 3.340 20 0 FGADHM Cc1ccc(NCc2cc(-c3nnn[n-]3)ccc2F)cc1C(=O)NC(C)C ZINC000822254467 606458875 /nfs/dbraw/zinc/45/88/75/606458875.db2.gz KSCGUUKEJATUJS-UHFFFAOYSA-N -1 3 368.416 3.065 20 0 FGADHM Cc1ccc(NCc2cc(-c3nn[n-]n3)ccc2F)cc1C(=O)NC(C)C ZINC000822254467 606458877 /nfs/dbraw/zinc/45/88/77/606458877.db2.gz KSCGUUKEJATUJS-UHFFFAOYSA-N -1 3 368.416 3.065 20 0 FGADHM Cc1nc(-c2cccnc2)nc(Sc2ccc(-c3nnn[n-]3)cc2)c1C ZINC000822424702 606459330 /nfs/dbraw/zinc/45/93/30/606459330.db2.gz ZTRFJACWUAAZJV-UHFFFAOYSA-N -1 3 361.434 3.487 20 0 FGADHM Cc1nc(-c2cccnc2)nc(Sc2ccc(-c3nn[n-]n3)cc2)c1C ZINC000822424702 606459331 /nfs/dbraw/zinc/45/93/31/606459331.db2.gz ZTRFJACWUAAZJV-UHFFFAOYSA-N -1 3 361.434 3.487 20 0 FGADHM CCO[C@H]1C[C@H](OC(=O)c2cc(-c3nnn[n-]3)cs2)C1(CC)CC ZINC000821358971 606468763 /nfs/dbraw/zinc/46/87/63/606468763.db2.gz LWPLDAQWGJOSNC-STQMWFEESA-N -1 3 350.444 3.069 20 0 FGADHM CCO[C@H]1C[C@H](OC(=O)c2cc(-c3nn[n-]n3)cs2)C1(CC)CC ZINC000821358971 606468765 /nfs/dbraw/zinc/46/87/65/606468765.db2.gz LWPLDAQWGJOSNC-STQMWFEESA-N -1 3 350.444 3.069 20 0 FGADHM C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820570302 606483340 /nfs/dbraw/zinc/48/33/40/606483340.db2.gz GQTBSPLTVDYJFL-VIFPVBQESA-N -1 3 370.463 3.371 20 0 FGADHM C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820570302 606483342 /nfs/dbraw/zinc/48/33/42/606483342.db2.gz GQTBSPLTVDYJFL-VIFPVBQESA-N -1 3 370.463 3.371 20 0 FGADHM O=C(NC[C@H]1SCCc2ccccc21)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000823182954 606486116 /nfs/dbraw/zinc/48/61/16/606486116.db2.gz QMNVHPZDZVXKCY-MRXNPFEDSA-N -1 3 366.450 3.019 20 0 FGADHM O=C(NC[C@H]1SCCc2ccccc21)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000823182954 606486117 /nfs/dbraw/zinc/48/61/17/606486117.db2.gz QMNVHPZDZVXKCY-MRXNPFEDSA-N -1 3 366.450 3.019 20 0 FGADHM C[C@@H](NC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1ccc2ccccc2c1 ZINC000820333381 606492849 /nfs/dbraw/zinc/49/28/49/606492849.db2.gz AGVTYXXMRUEITQ-CQSZACIVSA-N -1 3 357.417 3.440 20 0 FGADHM C[C@@H](NC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1ccc2ccccc2c1 ZINC000820333381 606492850 /nfs/dbraw/zinc/49/28/50/606492850.db2.gz AGVTYXXMRUEITQ-CQSZACIVSA-N -1 3 357.417 3.440 20 0 FGADHM O=C(c1cc(-c2nnn[n-]2)cs1)N1CCCC[C@H]1Cc1ccc(F)cc1 ZINC000823472242 606508442 /nfs/dbraw/zinc/50/84/42/606508442.db2.gz FJVNGECNXFGQSK-HNNXBMFYSA-N -1 3 371.441 3.305 20 0 FGADHM O=C(c1cc(-c2nn[n-]n2)cs1)N1CCCC[C@H]1Cc1ccc(F)cc1 ZINC000823472242 606508444 /nfs/dbraw/zinc/50/84/44/606508444.db2.gz FJVNGECNXFGQSK-HNNXBMFYSA-N -1 3 371.441 3.305 20 0 FGADHM C[C@H]1SCCN(C(=O)c2cc(-c3nnn[n-]3)cs2)[C@@H]1c1ccccc1 ZINC000820818954 606514008 /nfs/dbraw/zinc/51/40/08/606514008.db2.gz CZEJNMFRZQHRSL-ABAIWWIYSA-N -1 3 371.491 3.247 20 0 FGADHM C[C@H]1SCCN(C(=O)c2cc(-c3nn[n-]n3)cs2)[C@@H]1c1ccccc1 ZINC000820818954 606514009 /nfs/dbraw/zinc/51/40/09/606514009.db2.gz CZEJNMFRZQHRSL-ABAIWWIYSA-N -1 3 371.491 3.247 20 0 FGADHM Cc1cc(Cl)cc2c1N(C(=O)c1cc(-c3nnn[n-]3)cs1)CCC2 ZINC000822202368 606514394 /nfs/dbraw/zinc/51/43/94/606514394.db2.gz WYUKFRGOSWDJMI-UHFFFAOYSA-N -1 3 359.842 3.483 20 0 FGADHM Cc1cc(Cl)cc2c1N(C(=O)c1cc(-c3nn[n-]n3)cs1)CCC2 ZINC000822202368 606514397 /nfs/dbraw/zinc/51/43/97/606514397.db2.gz WYUKFRGOSWDJMI-UHFFFAOYSA-N -1 3 359.842 3.483 20 0 FGADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C/C=C\c1cccc(F)c1 ZINC000821608487 606522764 /nfs/dbraw/zinc/52/27/64/606522764.db2.gz JHVYLXIPQPJPRB-HYXAFXHYSA-N -1 3 351.385 3.068 20 0 FGADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C/C=C\c1cccc(F)c1 ZINC000821608487 606522766 /nfs/dbraw/zinc/52/27/66/606522766.db2.gz JHVYLXIPQPJPRB-HYXAFXHYSA-N -1 3 351.385 3.068 20 0 FGADHM CC[C@@H](Oc1ccccc1C)C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820939807 606522929 /nfs/dbraw/zinc/52/29/29/606522929.db2.gz YSVKWLBPYCEAJR-RHSMWYFYSA-N -1 3 365.437 3.210 20 0 FGADHM CC[C@@H](Oc1ccccc1C)C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820939807 606522931 /nfs/dbraw/zinc/52/29/31/606522931.db2.gz YSVKWLBPYCEAJR-RHSMWYFYSA-N -1 3 365.437 3.210 20 0 FGADHM Cc1nc([C@@H]2CCCN(C(=O)c3cc(-c4nnn[n-]4)cs3)C2)sc1C ZINC000822436588 606543709 /nfs/dbraw/zinc/54/37/09/606543709.db2.gz OKZPFFRISYYLKD-LLVKDONJSA-N -1 3 374.495 3.021 20 0 FGADHM Cc1nc([C@@H]2CCCN(C(=O)c3cc(-c4nn[n-]n4)cs3)C2)sc1C ZINC000822436588 606543711 /nfs/dbraw/zinc/54/37/11/606543711.db2.gz OKZPFFRISYYLKD-LLVKDONJSA-N -1 3 374.495 3.021 20 0 FGADHM CCSc1ccc([C@@H](C)NC(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821461470 606550814 /nfs/dbraw/zinc/55/08/14/606550814.db2.gz PDDCXNVMADWCBG-CYBMUJFWSA-N -1 3 367.478 3.399 20 0 FGADHM CCSc1ccc([C@@H](C)NC(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821461470 606550816 /nfs/dbraw/zinc/55/08/16/606550816.db2.gz PDDCXNVMADWCBG-CYBMUJFWSA-N -1 3 367.478 3.399 20 0 FGADHM C[C@H](NC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1Cl ZINC000820334515 606566206 /nfs/dbraw/zinc/56/62/06/606566206.db2.gz MSACFCDXINTCRG-JTQLQIEISA-N -1 3 359.792 3.079 20 0 FGADHM C[C@H](NC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1Cl ZINC000820334515 606566207 /nfs/dbraw/zinc/56/62/07/606566207.db2.gz MSACFCDXINTCRG-JTQLQIEISA-N -1 3 359.792 3.079 20 0 FGADHM O=C(OCc1ncc(-c2ccccc2F)o1)c1cc(-c2nnn[n-]2)cs1 ZINC000823440534 606568481 /nfs/dbraw/zinc/56/84/81/606568481.db2.gz XXVXPNTVINSDMX-UHFFFAOYSA-N -1 3 371.353 3.079 20 0 FGADHM O=C(OCc1ncc(-c2ccccc2F)o1)c1cc(-c2nn[n-]n2)cs1 ZINC000823440534 606568483 /nfs/dbraw/zinc/56/84/83/606568483.db2.gz XXVXPNTVINSDMX-UHFFFAOYSA-N -1 3 371.353 3.079 20 0 FGADHM C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000820668158 606574376 /nfs/dbraw/zinc/57/43/76/606574376.db2.gz QPEGOWVGZCFTQT-ACJLOTCBSA-N -1 3 365.412 3.158 20 0 FGADHM C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000820668158 606574378 /nfs/dbraw/zinc/57/43/78/606574378.db2.gz QPEGOWVGZCFTQT-ACJLOTCBSA-N -1 3 365.412 3.158 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N1CC[C@H]1c1ccc(Cl)cc1 ZINC000823087150 606574991 /nfs/dbraw/zinc/57/49/91/606574991.db2.gz IGAYWCSHCFFDJL-INIZCTEOSA-N -1 3 353.813 3.036 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N1CC[C@H]1c1ccc(Cl)cc1 ZINC000823087150 606574992 /nfs/dbraw/zinc/57/49/92/606574992.db2.gz IGAYWCSHCFFDJL-INIZCTEOSA-N -1 3 353.813 3.036 20 0 FGADHM CC(=Cc1ccc(F)cc1)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000819765980 606578136 /nfs/dbraw/zinc/57/81/36/606578136.db2.gz UAVALDYZMVESKF-RSKUSDAESA-N -1 3 351.385 3.287 20 0 FGADHM CC(=Cc1ccc(F)cc1)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000819765980 606578139 /nfs/dbraw/zinc/57/81/39/606578139.db2.gz UAVALDYZMVESKF-RSKUSDAESA-N -1 3 351.385 3.287 20 0 FGADHM C[C@@H](NC(=O)C/C=C/c1cccc(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820322975 606578262 /nfs/dbraw/zinc/57/82/62/606578262.db2.gz VJSNCYJMZDGYAH-VUUYWXRKSA-N -1 3 351.385 3.287 20 0 FGADHM C[C@@H](NC(=O)C/C=C/c1cccc(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820322975 606578263 /nfs/dbraw/zinc/57/82/63/606578263.db2.gz VJSNCYJMZDGYAH-VUUYWXRKSA-N -1 3 351.385 3.287 20 0 FGADHM C[C@H](NC(=O)C/C=C/c1cccc(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820322976 606578348 /nfs/dbraw/zinc/57/83/48/606578348.db2.gz VJSNCYJMZDGYAH-YIALFULDSA-N -1 3 351.385 3.287 20 0 FGADHM C[C@H](NC(=O)C/C=C/c1cccc(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820322976 606578349 /nfs/dbraw/zinc/57/83/49/606578349.db2.gz VJSNCYJMZDGYAH-YIALFULDSA-N -1 3 351.385 3.287 20 0 FGADHM CN(C)C(=O)Sc1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000821577918 606589092 /nfs/dbraw/zinc/58/90/92/606589092.db2.gz DLNSQQLTWPLPKL-UHFFFAOYSA-N -1 3 355.423 3.219 20 0 FGADHM CN(C)C(=O)Sc1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000821577918 606589094 /nfs/dbraw/zinc/58/90/94/606589094.db2.gz DLNSQQLTWPLPKL-UHFFFAOYSA-N -1 3 355.423 3.219 20 0 FGADHM CN(C)C(=O)Sc1ccc(CSc2cc(-c3nnn[n-]3)ccn2)cc1 ZINC000821578062 606589326 /nfs/dbraw/zinc/58/93/26/606589326.db2.gz LUVFQVKTERYZGZ-UHFFFAOYSA-N -1 3 372.479 3.328 20 0 FGADHM CN(C)C(=O)Sc1ccc(CSc2cc(-c3nn[n-]n3)ccn2)cc1 ZINC000821578062 606589328 /nfs/dbraw/zinc/58/93/28/606589328.db2.gz LUVFQVKTERYZGZ-UHFFFAOYSA-N -1 3 372.479 3.328 20 0 FGADHM CC(=O)Nc1cccc(NCc2ccc(-c3nnn[n-]3)cc2OC(F)F)c1 ZINC000819827676 606595847 /nfs/dbraw/zinc/59/58/47/606595847.db2.gz UMLMMRHYRXYRFU-UHFFFAOYSA-N -1 3 374.351 3.039 20 0 FGADHM CC(=O)Nc1cccc(NCc2ccc(-c3nn[n-]n3)cc2OC(F)F)c1 ZINC000819827676 606595848 /nfs/dbraw/zinc/59/58/48/606595848.db2.gz UMLMMRHYRXYRFU-UHFFFAOYSA-N -1 3 374.351 3.039 20 0 FGADHM CC(C)CC(C)(C)C(=O)NCCSCc1ccccc1-c1nnn[n-]1 ZINC000820051727 606602247 /nfs/dbraw/zinc/60/22/47/606602247.db2.gz UKKVHZKSSFHDBZ-UHFFFAOYSA-N -1 3 361.515 3.288 20 0 FGADHM CC(C)CC(C)(C)C(=O)NCCSCc1ccccc1-c1nn[n-]n1 ZINC000820051727 606602248 /nfs/dbraw/zinc/60/22/48/606602248.db2.gz UKKVHZKSSFHDBZ-UHFFFAOYSA-N -1 3 361.515 3.288 20 0 FGADHM CC[C@@H](C)NC(=O)[C@@H](C)Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000820876728 606614569 /nfs/dbraw/zinc/61/45/69/606614569.db2.gz SUDREFLMWOLILL-ZIAGYGMSSA-N -1 3 365.437 3.216 20 0 FGADHM CC[C@@H](C)NC(=O)[C@@H](C)Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000820876728 606614570 /nfs/dbraw/zinc/61/45/70/606614570.db2.gz SUDREFLMWOLILL-ZIAGYGMSSA-N -1 3 365.437 3.216 20 0 FGADHM Cc1ccc(/C=C\CC(=O)OCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000822233974 606622651 /nfs/dbraw/zinc/62/26/51/606622651.db2.gz ZBQITGAJZFHGAI-IHWYPQMZSA-N -1 3 352.369 3.461 20 0 FGADHM Cc1ccc(/C=C\CC(=O)OCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000822233974 606622652 /nfs/dbraw/zinc/62/26/52/606622652.db2.gz ZBQITGAJZFHGAI-IHWYPQMZSA-N -1 3 352.369 3.461 20 0 FGADHM Cc1ccnc(Oc2ccc(NC(=O)c3ccc(-c4nnn[n-]4)cc3)cc2)n1 ZINC000822379964 606625773 /nfs/dbraw/zinc/62/57/73/606625773.db2.gz XJKLPFWCTBPSIV-UHFFFAOYSA-N -1 3 373.376 3.010 20 0 FGADHM Cc1ccnc(Oc2ccc(NC(=O)c3ccc(-c4nn[n-]n4)cc3)cc2)n1 ZINC000822379964 606625775 /nfs/dbraw/zinc/62/57/75/606625775.db2.gz XJKLPFWCTBPSIV-UHFFFAOYSA-N -1 3 373.376 3.010 20 0 FGADHM O[C@@H]1CCCC[C@@H]1Oc1ccc(NCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000823706886 606657592 /nfs/dbraw/zinc/65/75/92/606657592.db2.gz QVSDMWRMUOUOLK-MOPGFXCFSA-N -1 3 365.437 3.161 20 0 FGADHM O[C@@H]1CCCC[C@@H]1Oc1ccc(NCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000823706886 606657593 /nfs/dbraw/zinc/65/75/93/606657593.db2.gz QVSDMWRMUOUOLK-MOPGFXCFSA-N -1 3 365.437 3.161 20 0 FGADHM C[C@@H](NC(=O)N([C@H](C)c1ccco1)C1CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820340629 606657884 /nfs/dbraw/zinc/65/78/84/606657884.db2.gz MJCGJPJAQYRATD-CHWSQXEVSA-N -1 3 366.425 3.456 20 0 FGADHM C[C@@H](NC(=O)N([C@H](C)c1ccco1)C1CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820340629 606657885 /nfs/dbraw/zinc/65/78/85/606657885.db2.gz MJCGJPJAQYRATD-CHWSQXEVSA-N -1 3 366.425 3.456 20 0 FGADHM O=C(Nc1ccccc1C(F)(F)F)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823372602 606663433 /nfs/dbraw/zinc/66/34/33/606663433.db2.gz HJUFVJCAWLJQQM-UHFFFAOYSA-N -1 3 369.253 3.416 20 0 FGADHM O=C(Nc1ccccc1C(F)(F)F)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823372602 606663434 /nfs/dbraw/zinc/66/34/34/606663434.db2.gz HJUFVJCAWLJQQM-UHFFFAOYSA-N -1 3 369.253 3.416 20 0 FGADHM CC(C)(C)c1ccc(CNC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1 ZINC000819958062 606666526 /nfs/dbraw/zinc/66/65/26/606666526.db2.gz HKKNRNSMDZLJGP-UHFFFAOYSA-N -1 3 371.391 3.372 20 0 FGADHM CC(C)(C)c1ccc(CNC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1 ZINC000819958062 606666527 /nfs/dbraw/zinc/66/65/27/606666527.db2.gz HKKNRNSMDZLJGP-UHFFFAOYSA-N -1 3 371.391 3.372 20 0 FGADHM CC(C)CCCCCCNC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820072112 606666750 /nfs/dbraw/zinc/66/67/50/606666750.db2.gz BQWZWRCNDSSJBB-UHFFFAOYSA-N -1 3 351.401 3.481 20 0 FGADHM CC(C)CCCCCCNC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820072112 606666751 /nfs/dbraw/zinc/66/67/51/606666751.db2.gz BQWZWRCNDSSJBB-UHFFFAOYSA-N -1 3 351.401 3.481 20 0 FGADHM O=C(Nc1ccc(Cl)c(F)c1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823332586 606671524 /nfs/dbraw/zinc/67/15/24/606671524.db2.gz OXHFVYXCEVFHIM-UHFFFAOYSA-N -1 3 353.691 3.190 20 0 FGADHM O=C(Nc1ccc(Cl)c(F)c1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823332586 606671525 /nfs/dbraw/zinc/67/15/25/606671525.db2.gz OXHFVYXCEVFHIM-UHFFFAOYSA-N -1 3 353.691 3.190 20 0 FGADHM COC[C@@H](C)CC(=O)Nc1sc(-c2ccccc2)cc1-c1nnn[n-]1 ZINC000821681755 606672735 /nfs/dbraw/zinc/67/27/35/606672735.db2.gz QZQLMSPAZPICMN-NSHDSACASA-N -1 3 357.439 3.206 20 0 FGADHM COC[C@@H](C)CC(=O)Nc1sc(-c2ccccc2)cc1-c1nn[n-]n1 ZINC000821681755 606672736 /nfs/dbraw/zinc/67/27/36/606672736.db2.gz QZQLMSPAZPICMN-NSHDSACASA-N -1 3 357.439 3.206 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H]1C[C@H]1Cc1ccccc1 ZINC000821400548 606673856 /nfs/dbraw/zinc/67/38/56/606673856.db2.gz LDDFDTWIZXCXEZ-HZPDHXFCSA-N -1 3 363.421 3.083 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1C[C@H]1Cc1ccccc1 ZINC000821400548 606673857 /nfs/dbraw/zinc/67/38/57/606673857.db2.gz LDDFDTWIZXCXEZ-HZPDHXFCSA-N -1 3 363.421 3.083 20 0 FGADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)CCO[C@H](C)CC(C)C)s1 ZINC000821466676 606674480 /nfs/dbraw/zinc/67/44/80/606674480.db2.gz YUQJKOXSARPMJI-LLVKDONJSA-N -1 3 351.476 3.270 20 0 FGADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)CCO[C@H](C)CC(C)C)s1 ZINC000821466676 606674481 /nfs/dbraw/zinc/67/44/81/606674481.db2.gz YUQJKOXSARPMJI-LLVKDONJSA-N -1 3 351.476 3.270 20 0 FGADHM CC(C)N(C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1ccc(F)cc1 ZINC000820111669 606675687 /nfs/dbraw/zinc/67/56/87/606675687.db2.gz GHZCXCIAFRYDDR-UHFFFAOYSA-N -1 3 361.327 3.339 20 0 FGADHM CC(C)N(C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccc(F)cc1 ZINC000820111669 606675688 /nfs/dbraw/zinc/67/56/88/606675688.db2.gz GHZCXCIAFRYDDR-UHFFFAOYSA-N -1 3 361.327 3.339 20 0 FGADHM Cc1nc(CC(C)C)c(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)s1 ZINC000822436488 606684664 /nfs/dbraw/zinc/68/46/64/606684664.db2.gz NVARHOLBXAOMTN-LLVKDONJSA-N -1 3 370.482 3.321 20 0 FGADHM Cc1nc(CC(C)C)c(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)s1 ZINC000822436488 606684665 /nfs/dbraw/zinc/68/46/65/606684665.db2.gz NVARHOLBXAOMTN-LLVKDONJSA-N -1 3 370.482 3.321 20 0 FGADHM Fc1ccc(NCc2nnc(-c3cccc(Cl)c3)o2)cc1-c1nnn[n-]1 ZINC000822782814 606703450 /nfs/dbraw/zinc/70/34/50/606703450.db2.gz IAWHPQHVWRAPKN-UHFFFAOYSA-N -1 3 371.763 3.321 20 0 FGADHM Fc1ccc(NCc2nnc(-c3cccc(Cl)c3)o2)cc1-c1nn[n-]n1 ZINC000822782814 606703451 /nfs/dbraw/zinc/70/34/51/606703451.db2.gz IAWHPQHVWRAPKN-UHFFFAOYSA-N -1 3 371.763 3.321 20 0 FGADHM Cc1nc(C)c(-c2nnn[n-]2)c(SCc2nc(C(C)(C)C)cs2)n1 ZINC000822427302 606704407 /nfs/dbraw/zinc/70/44/07/606704407.db2.gz JAVXYEDICDTSFS-UHFFFAOYSA-N -1 3 361.500 3.320 20 0 FGADHM CN(C(=O)c1ccc2sccc2c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000821574648 606725024 /nfs/dbraw/zinc/72/50/24/606725024.db2.gz QFYQYRDXBDXWGH-UHFFFAOYSA-N -1 3 353.382 3.497 20 0 FGADHM CN(C(=O)c1ccc2sccc2c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000821574648 606725025 /nfs/dbraw/zinc/72/50/25/606725025.db2.gz QFYQYRDXBDXWGH-UHFFFAOYSA-N -1 3 353.382 3.497 20 0 FGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)c1ccc2sccc2c1 ZINC000823249714 606731836 /nfs/dbraw/zinc/73/18/36/606731836.db2.gz GSHHJGLAGLUJCY-UHFFFAOYSA-N -1 3 353.382 3.151 20 0 FGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)c1ccc2sccc2c1 ZINC000823249714 606731838 /nfs/dbraw/zinc/73/18/38/606731838.db2.gz GSHHJGLAGLUJCY-UHFFFAOYSA-N -1 3 353.382 3.151 20 0 FGADHM Cc1cc(COC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c(C)s1 ZINC000822201279 606747533 /nfs/dbraw/zinc/74/75/33/606747533.db2.gz YPBYXMUONFEVIN-UHFFFAOYSA-N -1 3 350.350 3.180 20 0 FGADHM Cc1cc(COC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c(C)s1 ZINC000822201279 606747534 /nfs/dbraw/zinc/74/75/34/606747534.db2.gz YPBYXMUONFEVIN-UHFFFAOYSA-N -1 3 350.350 3.180 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)NC1(Cc2ccccc2)CCC1 ZINC000822929704 606757634 /nfs/dbraw/zinc/75/76/34/606757634.db2.gz XIALSEGOZBTOTF-QXMHVHEDSA-N -1 3 359.433 3.162 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)NC1(Cc2ccccc2)CCC1 ZINC000822929704 606757635 /nfs/dbraw/zinc/75/76/35/606757635.db2.gz XIALSEGOZBTOTF-QXMHVHEDSA-N -1 3 359.433 3.162 20 0 FGADHM Cc1ccc(OC(F)F)c(CNc2ncc(-c3nnn[n-]3)cc2Cl)c1 ZINC000822262685 606799666 /nfs/dbraw/zinc/79/96/66/606799666.db2.gz DALIGAJDNSYLPY-UHFFFAOYSA-N -1 3 366.759 3.437 20 0 FGADHM Cc1ccc(OC(F)F)c(CNc2ncc(-c3nn[n-]n3)cc2Cl)c1 ZINC000822262685 606799668 /nfs/dbraw/zinc/79/96/68/606799668.db2.gz DALIGAJDNSYLPY-UHFFFAOYSA-N -1 3 366.759 3.437 20 0 FGADHM CCc1c(C)sc(NC(=O)CC2CCSCC2)c1-c1nnn[n-]1 ZINC000821465310 606810836 /nfs/dbraw/zinc/81/08/36/606810836.db2.gz FMLFKXXISRCSEP-UHFFFAOYSA-N -1 3 351.501 3.271 20 0 FGADHM CCc1c(C)sc(NC(=O)CC2CCSCC2)c1-c1nn[n-]n1 ZINC000821465310 606810838 /nfs/dbraw/zinc/81/08/38/606810838.db2.gz FMLFKXXISRCSEP-UHFFFAOYSA-N -1 3 351.501 3.271 20 0 FGADHM O=C([C@H]1CCSC1)N(Cc1ccccc1)c1ccccc1-c1nnn[n-]1 ZINC000822917120 606811437 /nfs/dbraw/zinc/81/14/37/606811437.db2.gz NXJHMOWTSXDGJZ-HNNXBMFYSA-N -1 3 365.462 3.153 20 0 FGADHM O=C([C@H]1CCSC1)N(Cc1ccccc1)c1ccccc1-c1nn[n-]n1 ZINC000822917120 606811438 /nfs/dbraw/zinc/81/14/38/606811438.db2.gz NXJHMOWTSXDGJZ-HNNXBMFYSA-N -1 3 365.462 3.153 20 0 FGADHM Cc1nc(C)c(NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)s1 ZINC000822431900 606836468 /nfs/dbraw/zinc/83/64/68/606836468.db2.gz OHBQWAFBBRXVNS-UHFFFAOYSA-N -1 3 369.454 3.137 20 0 FGADHM Cc1nc(C)c(NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)s1 ZINC000822431900 606836470 /nfs/dbraw/zinc/83/64/70/606836470.db2.gz OHBQWAFBBRXVNS-UHFFFAOYSA-N -1 3 369.454 3.137 20 0 FGADHM Cc1nc(CCNc2nc3ccccc3cc2-c2nnn[n-]2)sc1C ZINC000822440216 606875436 /nfs/dbraw/zinc/87/54/36/606875436.db2.gz JYTLQCDWXABUNV-UHFFFAOYSA-N -1 3 351.439 3.143 20 0 FGADHM Cc1nc(CCNc2nc3ccccc3cc2-c2nn[n-]n2)sc1C ZINC000822440216 606875439 /nfs/dbraw/zinc/87/54/39/606875439.db2.gz JYTLQCDWXABUNV-UHFFFAOYSA-N -1 3 351.439 3.143 20 0 FGADHM c1ccc(N[C@H]2CCCN(c3cc(-c4nnn[n-]4)c4ccccc4n3)C2)cc1 ZINC000823786698 606876084 /nfs/dbraw/zinc/87/60/84/606876084.db2.gz BRJZGCHCFFLZSD-INIZCTEOSA-N -1 3 371.448 3.496 20 0 FGADHM c1ccc(N[C@H]2CCCN(c3cc(-c4nn[n-]n4)c4ccccc4n3)C2)cc1 ZINC000823786698 606876085 /nfs/dbraw/zinc/87/60/85/606876085.db2.gz BRJZGCHCFFLZSD-INIZCTEOSA-N -1 3 371.448 3.496 20 0 FGADHM Cc1cc(C)c(-c2nnn[n-]2)c(NC[C@@H](O)c2cc3ccccc3s2)n1 ZINC000822192787 606877978 /nfs/dbraw/zinc/87/79/78/606877978.db2.gz ATJXNAOZYANLHL-CYBMUJFWSA-N -1 3 366.450 3.239 20 0 FGADHM Cc1cc(C)c(-c2nn[n-]n2)c(NC[C@@H](O)c2cc3ccccc3s2)n1 ZINC000822192787 606877980 /nfs/dbraw/zinc/87/79/80/606877980.db2.gz ATJXNAOZYANLHL-CYBMUJFWSA-N -1 3 366.450 3.239 20 0 FGADHM Clc1cc(-c2nnn[n-]2)cnc1NCc1csc(-c2ccco2)n1 ZINC000822567916 606880749 /nfs/dbraw/zinc/88/07/49/606880749.db2.gz IUISFAJICVWHSU-UHFFFAOYSA-N -1 3 359.802 3.244 20 0 FGADHM Clc1cc(-c2nn[n-]n2)cnc1NCc1csc(-c2ccco2)n1 ZINC000822567916 606880750 /nfs/dbraw/zinc/88/07/50/606880750.db2.gz IUISFAJICVWHSU-UHFFFAOYSA-N -1 3 359.802 3.244 20 0 FGADHM c1csc([C@@H]2CCCCN2CCCOc2cccc(-c3nn[n-]n3)c2)n1 ZINC000823761930 606892357 /nfs/dbraw/zinc/89/23/57/606892357.db2.gz ARJVWKSLDSJVKX-INIZCTEOSA-N -1 3 370.482 3.319 20 0 FGADHM CC1(OC(=O)c2ccc(COc3ccccc3-c3nnn[n-]3)o2)CCC1 ZINC000820628543 606895058 /nfs/dbraw/zinc/89/50/58/606895058.db2.gz GYUOUUQSGKKFSG-UHFFFAOYSA-N -1 3 354.366 3.138 20 0 FGADHM CC1(OC(=O)c2ccc(COc3ccccc3-c3nn[n-]n3)o2)CCC1 ZINC000820628543 606895059 /nfs/dbraw/zinc/89/50/59/606895059.db2.gz GYUOUUQSGKKFSG-UHFFFAOYSA-N -1 3 354.366 3.138 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)c1cccc(Cl)c1F ZINC000821389965 606919103 /nfs/dbraw/zinc/91/91/03/606919103.db2.gz RUPVHKKQIQFHOA-UHFFFAOYSA-N -1 3 362.748 3.277 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)c1cccc(Cl)c1F ZINC000821389965 606919105 /nfs/dbraw/zinc/91/91/05/606919105.db2.gz RUPVHKKQIQFHOA-UHFFFAOYSA-N -1 3 362.748 3.277 20 0 FGADHM C[C@@H]1CC[C@@H](C(=O)Oc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)O1 ZINC000820684789 606924856 /nfs/dbraw/zinc/92/48/56/606924856.db2.gz SDXKUSNDSHRCGV-PXAZEXFGSA-N -1 3 366.377 3.132 20 0 FGADHM C[C@@H]1CC[C@@H](C(=O)Oc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)O1 ZINC000820684789 606924857 /nfs/dbraw/zinc/92/48/57/606924857.db2.gz SDXKUSNDSHRCGV-PXAZEXFGSA-N -1 3 366.377 3.132 20 0 FGADHM CC(C)c1csc(CNC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000820196845 606931213 /nfs/dbraw/zinc/93/12/13/606931213.db2.gz DOIMYDKDUGCDDX-LLVKDONJSA-N -1 3 371.470 3.007 20 0 FGADHM CC(C)c1csc(CNC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000820196845 606931216 /nfs/dbraw/zinc/93/12/16/606931216.db2.gz DOIMYDKDUGCDDX-LLVKDONJSA-N -1 3 371.470 3.007 20 0 FGADHM CCOCCC1(C(=O)Nc2sc(C)c(C)c2-c2nnn[n-]2)CCCC1 ZINC000821373348 606955351 /nfs/dbraw/zinc/95/53/51/606955351.db2.gz HGQZKFGZAJOYPW-UHFFFAOYSA-N -1 3 363.487 3.471 20 0 FGADHM CCOCCC1(C(=O)Nc2sc(C)c(C)c2-c2nn[n-]n2)CCCC1 ZINC000821373348 606955352 /nfs/dbraw/zinc/95/53/52/606955352.db2.gz HGQZKFGZAJOYPW-UHFFFAOYSA-N -1 3 363.487 3.471 20 0 FGADHM CN(C(=O)c1cccc2cnccc21)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821574652 606961494 /nfs/dbraw/zinc/96/14/94/606961494.db2.gz QLLTVXQOODRNKV-UHFFFAOYSA-N -1 3 364.796 3.345 20 0 FGADHM CN(C(=O)c1cccc2cnccc21)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821574652 606961496 /nfs/dbraw/zinc/96/14/96/606961496.db2.gz QLLTVXQOODRNKV-UHFFFAOYSA-N -1 3 364.796 3.345 20 0 FGADHM C[C@H](C(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1)c1ccccc1F ZINC000819857439 606961928 /nfs/dbraw/zinc/96/19/28/606961928.db2.gz RVKMPLVUYZCNEQ-JTQLQIEISA-N -1 3 359.792 3.426 20 0 FGADHM C[C@H](C(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1)c1ccccc1F ZINC000819857439 606961930 /nfs/dbraw/zinc/96/19/30/606961930.db2.gz RVKMPLVUYZCNEQ-JTQLQIEISA-N -1 3 359.792 3.426 20 0 FGADHM Fc1ccc2[nH]c3c(c2c1)CN(Cc1ccc(F)c(-c2nnn[n-]2)c1)CC3 ZINC000822782708 606970822 /nfs/dbraw/zinc/97/08/22/606970822.db2.gz BXVOUJYGCBHNHS-UHFFFAOYSA-N -1 3 366.375 3.185 20 0 FGADHM Fc1ccc2[nH]c3c(c2c1)CN(Cc1ccc(F)c(-c2nn[n-]n2)c1)CC3 ZINC000822782708 606970823 /nfs/dbraw/zinc/97/08/23/606970823.db2.gz BXVOUJYGCBHNHS-UHFFFAOYSA-N -1 3 366.375 3.185 20 0 FGADHM Cc1ccc(NC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)c(C)c1 ZINC000822242558 606977857 /nfs/dbraw/zinc/97/78/57/606977857.db2.gz PFTHTAWXDANHFV-UHFFFAOYSA-N -1 3 351.410 3.280 20 0 FGADHM Cc1ccc(NC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)c(C)c1 ZINC000822242558 606977858 /nfs/dbraw/zinc/97/78/58/606977858.db2.gz PFTHTAWXDANHFV-UHFFFAOYSA-N -1 3 351.410 3.280 20 0 FGADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)c1ccnn1C1CCCC1 ZINC000823332578 606991241 /nfs/dbraw/zinc/99/12/41/606991241.db2.gz OWMGJBZOQIOQLW-UHFFFAOYSA-N -1 3 357.805 3.084 20 0 FGADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)c1ccnn1C1CCCC1 ZINC000823332578 606991242 /nfs/dbraw/zinc/99/12/42/606991242.db2.gz OWMGJBZOQIOQLW-UHFFFAOYSA-N -1 3 357.805 3.084 20 0 FGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)c1ccc(-c2ccco2)s1 ZINC000675786919 606991253 /nfs/dbraw/zinc/99/12/53/606991253.db2.gz KWRPPQPLZILQCI-UHFFFAOYSA-N -1 3 351.391 3.118 20 0 FGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)c1ccc(-c2ccco2)s1 ZINC000675786919 606991254 /nfs/dbraw/zinc/99/12/54/606991254.db2.gz KWRPPQPLZILQCI-UHFFFAOYSA-N -1 3 351.391 3.118 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)c1c[nH]cc1-c1ccccc1 ZINC000823421671 606996133 /nfs/dbraw/zinc/99/61/33/606996133.db2.gz GGTJBNZJXCFGKM-UHFFFAOYSA-N -1 3 363.352 3.358 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)c1c[nH]cc1-c1ccccc1 ZINC000823421671 606996134 /nfs/dbraw/zinc/99/61/34/606996134.db2.gz GGTJBNZJXCFGKM-UHFFFAOYSA-N -1 3 363.352 3.358 20 0 FGADHM CC(C)[C@H](C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000820016702 607001631 /nfs/dbraw/zinc/00/16/31/607001631.db2.gz OKWOWFOLHRUVMB-KRWDZBQOSA-N -1 3 354.385 3.489 20 0 FGADHM CC(C)[C@H](C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000820016702 607001632 /nfs/dbraw/zinc/00/16/32/607001632.db2.gz OKWOWFOLHRUVMB-KRWDZBQOSA-N -1 3 354.385 3.489 20 0 FGADHM O=C1[C@@H](Sc2cccc(-c3nnn[n-]3)c2)CCN1c1c(F)cccc1F ZINC000823512190 607017717 /nfs/dbraw/zinc/01/77/17/607017717.db2.gz MGJGAFRZXCHUKR-AWEZNQCLSA-N -1 3 373.388 3.043 20 0 FGADHM O=C1[C@@H](Sc2cccc(-c3nn[n-]n3)c2)CCN1c1c(F)cccc1F ZINC000823512190 607017719 /nfs/dbraw/zinc/01/77/19/607017719.db2.gz MGJGAFRZXCHUKR-AWEZNQCLSA-N -1 3 373.388 3.043 20 0 FGADHM COc1ccc(C(C)(C)C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)cc1 ZINC000821773082 607017780 /nfs/dbraw/zinc/01/77/80/607017780.db2.gz ZNWJDQGIULTCEG-UHFFFAOYSA-N -1 3 351.410 3.100 20 0 FGADHM COc1ccc(C(C)(C)C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)cc1 ZINC000821773082 607017783 /nfs/dbraw/zinc/01/77/83/607017783.db2.gz ZNWJDQGIULTCEG-UHFFFAOYSA-N -1 3 351.410 3.100 20 0 FGADHM CCc1c(C)sc(NC(=O)C[C@H](C)c2ccncc2)c1-c1nnn[n-]1 ZINC000821465551 607018935 /nfs/dbraw/zinc/01/89/35/607018935.db2.gz JGNWADPJHBQRHY-JTQLQIEISA-N -1 3 356.455 3.326 20 0 FGADHM CCc1c(C)sc(NC(=O)C[C@H](C)c2ccncc2)c1-c1nn[n-]n1 ZINC000821465551 607018937 /nfs/dbraw/zinc/01/89/37/607018937.db2.gz JGNWADPJHBQRHY-JTQLQIEISA-N -1 3 356.455 3.326 20 0 FGADHM O[C@@]12CCCC[C@@H]1CN(c1ccc(-c3nn[n-]n3)cc1C(F)(F)F)CC2 ZINC000823699982 607034267 /nfs/dbraw/zinc/03/42/67/607034267.db2.gz YTHJGXUMAVGLIP-MLGOLLRUSA-N -1 3 367.375 3.017 20 0 FGADHM O[C@]12CCCC[C@H]1CN(c1ccc(-c3nn[n-]n3)cc1C(F)(F)F)CC2 ZINC000823699980 607034413 /nfs/dbraw/zinc/03/44/13/607034413.db2.gz YTHJGXUMAVGLIP-LRDDRELGSA-N -1 3 367.375 3.017 20 0 FGADHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H]1C[C@@H]1C1CCCCC1 ZINC000819997405 607044345 /nfs/dbraw/zinc/04/43/45/607044345.db2.gz VBELDGKVTJKUKX-IAGOWNOFSA-N -1 3 369.469 3.109 20 0 FGADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1C[C@@H]1C1CCCCC1 ZINC000819997405 607044347 /nfs/dbraw/zinc/04/43/47/607044347.db2.gz VBELDGKVTJKUKX-IAGOWNOFSA-N -1 3 369.469 3.109 20 0 FGADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)nc1)c1ccc(OCC2CC2)c(F)c1 ZINC000820456927 607045529 /nfs/dbraw/zinc/04/55/29/607045529.db2.gz XHDFDIAQEHUBEI-LLVKDONJSA-N -1 3 354.389 3.363 20 0 FGADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)nc1)c1ccc(OCC2CC2)c(F)c1 ZINC000820456927 607045530 /nfs/dbraw/zinc/04/55/30/607045530.db2.gz XHDFDIAQEHUBEI-LLVKDONJSA-N -1 3 354.389 3.363 20 0 FGADHM O=C(CCc1c[nH]c2ccccc12)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000822974220 607072615 /nfs/dbraw/zinc/07/26/15/607072615.db2.gz BNUVRUBVOXHPPQ-UHFFFAOYSA-N -1 3 365.368 3.163 20 0 FGADHM O=C(CCc1c[nH]c2ccccc12)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000822974220 607072617 /nfs/dbraw/zinc/07/26/17/607072617.db2.gz BNUVRUBVOXHPPQ-UHFFFAOYSA-N -1 3 365.368 3.163 20 0 FGADHM C[C@@H](CCOc1ccccc1)C(=O)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000820248779 607085416 /nfs/dbraw/zinc/08/54/16/607085416.db2.gz NOCREKIFJBXPEG-ZDUSSCGKSA-N -1 3 370.384 3.154 20 0 FGADHM C[C@@H](CCOc1ccccc1)C(=O)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000820248779 607085419 /nfs/dbraw/zinc/08/54/19/607085419.db2.gz NOCREKIFJBXPEG-ZDUSSCGKSA-N -1 3 370.384 3.154 20 0 FGADHM COc1cccc(C(C)=CC(=O)OCc2cc(F)ccc2-c2nnn[n-]2)c1 ZINC000821858082 607085774 /nfs/dbraw/zinc/08/57/74/607085774.db2.gz CXUGVNLVBRRTEY-WQLSENKSSA-N -1 3 368.368 3.161 20 0 FGADHM COc1cccc(C(C)=CC(=O)OCc2cc(F)ccc2-c2nn[n-]n2)c1 ZINC000821858082 607085776 /nfs/dbraw/zinc/08/57/76/607085776.db2.gz CXUGVNLVBRRTEY-WQLSENKSSA-N -1 3 368.368 3.161 20 0 FGADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC000821294706 607098209 /nfs/dbraw/zinc/09/82/09/607098209.db2.gz XNGAQPZLRMEMMX-HUUCEWRRSA-N -1 3 366.400 3.180 20 0 FGADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000821294709 607099363 /nfs/dbraw/zinc/09/93/63/607099363.db2.gz XNGAQPZLRMEMMX-LSDHHAIUSA-N -1 3 366.400 3.180 20 0 FGADHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1N[C@@H]1CCOC2(CCC2)C1 ZINC000822718522 607132843 /nfs/dbraw/zinc/13/28/43/607132843.db2.gz LNSYEYZTJXKSFY-LLVKDONJSA-N -1 3 353.348 3.399 20 0 FGADHM Cc1cc(C)cc(NC(=O)[C@@H](C)Oc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000822196811 607135110 /nfs/dbraw/zinc/13/51/10/607135110.db2.gz XNJKWNJEHKMKSR-GFCCVEGCSA-N -1 3 355.373 3.029 20 0 FGADHM Cc1cc(C)cc(NC(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000822196811 607135111 /nfs/dbraw/zinc/13/51/11/607135111.db2.gz XNJKWNJEHKMKSR-GFCCVEGCSA-N -1 3 355.373 3.029 20 0 FGADHM O=C(NC1CC=CC1)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000823144583 607138369 /nfs/dbraw/zinc/13/83/69/607138369.db2.gz JJPMLYSEDXNWMZ-UHFFFAOYSA-N -1 3 363.446 3.466 20 0 FGADHM O=C(NC1CC=CC1)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC000823144583 607138371 /nfs/dbraw/zinc/13/83/71/607138371.db2.gz JJPMLYSEDXNWMZ-UHFFFAOYSA-N -1 3 363.446 3.466 20 0 FGADHM CCCOc1cc(F)ccc1NC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000821128494 607140489 /nfs/dbraw/zinc/14/04/89/607140489.db2.gz VNHPFUNHWZDZJQ-UHFFFAOYSA-N -1 3 369.400 3.366 20 0 FGADHM CCCOc1cc(F)ccc1NC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000821128494 607140490 /nfs/dbraw/zinc/14/04/90/607140490.db2.gz VNHPFUNHWZDZJQ-UHFFFAOYSA-N -1 3 369.400 3.366 20 0 FGADHM CCCC1(CNC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)CC1 ZINC000821034796 607145101 /nfs/dbraw/zinc/14/51/01/607145101.db2.gz UEQFJXCXPJJWDL-UHFFFAOYSA-N -1 3 354.458 3.121 20 0 FGADHM CCCC1(CNC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)CC1 ZINC000821034796 607145102 /nfs/dbraw/zinc/14/51/02/607145102.db2.gz UEQFJXCXPJJWDL-UHFFFAOYSA-N -1 3 354.458 3.121 20 0 FGADHM CCC[C@H](C)[C@H]1CCCN1C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000821014387 607152745 /nfs/dbraw/zinc/15/27/45/607152745.db2.gz FXCGNYMJQOQOPF-BLLLJJGKSA-N -1 3 360.437 3.116 20 0 FGADHM CCC[C@H](C)[C@H]1CCCN1C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000821014387 607152747 /nfs/dbraw/zinc/15/27/47/607152747.db2.gz FXCGNYMJQOQOPF-BLLLJJGKSA-N -1 3 360.437 3.116 20 0 FGADHM CCCc1nnc(SCc2ccc(-c3nnn[n-]3)cc2OC(F)F)o1 ZINC000821142377 607169668 /nfs/dbraw/zinc/16/96/68/607169668.db2.gz HOETULMXRIUMHB-UHFFFAOYSA-N -1 3 368.369 3.096 20 0 FGADHM CCCc1nnc(SCc2ccc(-c3nn[n-]n3)cc2OC(F)F)o1 ZINC000821142377 607169669 /nfs/dbraw/zinc/16/96/69/607169669.db2.gz HOETULMXRIUMHB-UHFFFAOYSA-N -1 3 368.369 3.096 20 0 FGADHM CS[C@@H]1CCC[C@@H](NC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC000821950514 607194829 /nfs/dbraw/zinc/19/48/29/607194829.db2.gz OJZPGDVNNYYWFF-GHMZBOCLSA-N -1 3 366.878 3.316 20 0 FGADHM CS[C@@H]1CCC[C@@H](NC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC000821950514 607194830 /nfs/dbraw/zinc/19/48/30/607194830.db2.gz OJZPGDVNNYYWFF-GHMZBOCLSA-N -1 3 366.878 3.316 20 0 FGADHM CCc1ccc(CNC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)s1 ZINC000821487083 607199165 /nfs/dbraw/zinc/19/91/65/607199165.db2.gz QBKZAPMWMNNJMR-UHFFFAOYSA-N -1 3 362.846 3.466 20 0 FGADHM CCc1ccc(CNC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)s1 ZINC000821487083 607199166 /nfs/dbraw/zinc/19/91/66/607199166.db2.gz QBKZAPMWMNNJMR-UHFFFAOYSA-N -1 3 362.846 3.466 20 0 FGADHM FC(F)(F)c1ccc(-c2nnn[n-]2)cc1NCCc1cn2ccccc2n1 ZINC000822723488 607227630 /nfs/dbraw/zinc/22/76/30/607227630.db2.gz GNWINUCNDXKENP-UHFFFAOYSA-N -1 3 373.342 3.188 20 0 FGADHM FC(F)(F)c1ccc(-c2nn[n-]n2)cc1NCCc1cn2ccccc2n1 ZINC000822723488 607227631 /nfs/dbraw/zinc/22/76/31/607227631.db2.gz GNWINUCNDXKENP-UHFFFAOYSA-N -1 3 373.342 3.188 20 0 FGADHM O[C@@H](CNc1cc(-c2nnn[n-]2)ccc1C(F)(F)F)c1ccccc1F ZINC000823690833 607227965 /nfs/dbraw/zinc/22/79/65/607227965.db2.gz VWSCBYQDIYGTSR-AWEZNQCLSA-N -1 3 367.306 3.170 20 0 FGADHM O[C@@H](CNc1cc(-c2nn[n-]n2)ccc1C(F)(F)F)c1ccccc1F ZINC000823690833 607227966 /nfs/dbraw/zinc/22/79/66/607227966.db2.gz VWSCBYQDIYGTSR-AWEZNQCLSA-N -1 3 367.306 3.170 20 0 FGADHM COc1ccccc1[C@@H](NCc1ccc(-c2nnn[n-]2)s1)c1ccco1 ZINC000821882501 607229791 /nfs/dbraw/zinc/22/97/91/607229791.db2.gz CKCVCLBULVILHL-QGZVFWFLSA-N -1 3 367.434 3.409 20 0 FGADHM COc1ccccc1[C@@H](NCc1ccc(-c2nn[n-]n2)s1)c1ccco1 ZINC000821882501 607229792 /nfs/dbraw/zinc/22/97/92/607229792.db2.gz CKCVCLBULVILHL-QGZVFWFLSA-N -1 3 367.434 3.409 20 0 FGADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)Cc2cc(F)c(F)cc2F)s1 ZINC000821465041 607237299 /nfs/dbraw/zinc/23/72/99/607237299.db2.gz AEQWHBXWWAIBSS-UHFFFAOYSA-N -1 3 367.356 3.089 20 0 FGADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)Cc2cc(F)c(F)cc2F)s1 ZINC000821465041 607237300 /nfs/dbraw/zinc/23/73/00/607237300.db2.gz AEQWHBXWWAIBSS-UHFFFAOYSA-N -1 3 367.356 3.089 20 0 FGADHM CCc1c(C)sc(NC(=O)c2c(F)cccc2OC)c1-c1nnn[n-]1 ZINC000821465769 607237906 /nfs/dbraw/zinc/23/79/06/607237906.db2.gz OPRZRPQERYPZMW-UHFFFAOYSA-N -1 3 361.402 3.199 20 0 FGADHM CCc1c(C)sc(NC(=O)c2c(F)cccc2OC)c1-c1nn[n-]n1 ZINC000821465769 607237907 /nfs/dbraw/zinc/23/79/07/607237907.db2.gz OPRZRPQERYPZMW-UHFFFAOYSA-N -1 3 361.402 3.199 20 0 FGADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000823450327 607248292 /nfs/dbraw/zinc/24/82/92/607248292.db2.gz ONFZDCWDENZLII-NXEZZACHSA-N -1 3 358.295 3.280 20 0 FGADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000823450327 607248293 /nfs/dbraw/zinc/24/82/93/607248293.db2.gz ONFZDCWDENZLII-NXEZZACHSA-N -1 3 358.295 3.280 20 0 FGADHM Cc1oc(C)c(C(=O)NCCSCc2ccccc2-c2nnn[n-]2)c1C ZINC000822540985 607251304 /nfs/dbraw/zinc/25/13/04/607251304.db2.gz JMGFTEOSTDFUJA-UHFFFAOYSA-N -1 3 371.466 3.048 20 0 FGADHM Cc1oc(C)c(C(=O)NCCSCc2ccccc2-c2nn[n-]n2)c1C ZINC000822540985 607251305 /nfs/dbraw/zinc/25/13/05/607251305.db2.gz JMGFTEOSTDFUJA-UHFFFAOYSA-N -1 3 371.466 3.048 20 0 FGADHM O=C(NCC1(C2CC2)CC1)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000826433587 607774103 /nfs/dbraw/zinc/77/41/03/607774103.db2.gz LGKOSZBFYCAYHQ-UHFFFAOYSA-N -1 3 359.433 3.454 20 0 FGADHM O=C(NCC1(C2CC2)CC1)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000826433587 607774104 /nfs/dbraw/zinc/77/41/04/607774104.db2.gz LGKOSZBFYCAYHQ-UHFFFAOYSA-N -1 3 359.433 3.454 20 0 FGADHM C[C@@H]1CC[C@@H](NC(=O)CNc2ccc(-c3nn[n-]n3)cc2)c2ccccc21 ZINC000824917860 607780234 /nfs/dbraw/zinc/78/02/34/607780234.db2.gz OJETUBPHTUDFOP-FZKQIMNGSA-N -1 3 362.437 3.033 20 0 FGADHM CSc1ccc(O[C@@H](C)C(=O)N(C)c2ccccc2-c2nnn[n-]2)cc1 ZINC000826230624 607791240 /nfs/dbraw/zinc/79/12/40/607791240.db2.gz BSYJSZFZVXRHQA-LBPRGKRZSA-N -1 3 369.450 3.019 20 0 FGADHM CSc1ccc(O[C@@H](C)C(=O)N(C)c2ccccc2-c2nn[n-]n2)cc1 ZINC000826230624 607791241 /nfs/dbraw/zinc/79/12/41/607791241.db2.gz BSYJSZFZVXRHQA-LBPRGKRZSA-N -1 3 369.450 3.019 20 0 FGADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCC(C)(C)C1CCCC1 ZINC000825957863 607793717 /nfs/dbraw/zinc/79/37/17/607793717.db2.gz IODIFGAVYXZJOI-UHFFFAOYSA-N -1 3 356.474 3.225 20 0 FGADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCC(C)(C)C1CCCC1 ZINC000825957863 607793718 /nfs/dbraw/zinc/79/37/18/607793718.db2.gz IODIFGAVYXZJOI-UHFFFAOYSA-N -1 3 356.474 3.225 20 0 FGADHM CCN(C(=O)C[C@H](C)c1ccc(OC)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367199 607798141 /nfs/dbraw/zinc/79/81/41/607798141.db2.gz KVSPKVLOTLSKCW-AWEZNQCLSA-N -1 3 365.437 3.422 20 0 FGADHM CCN(C(=O)C[C@H](C)c1ccc(OC)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367199 607798142 /nfs/dbraw/zinc/79/81/42/607798142.db2.gz KVSPKVLOTLSKCW-AWEZNQCLSA-N -1 3 365.437 3.422 20 0 FGADHM C[C@@H](Cc1ccccc1Cl)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000824457288 607818726 /nfs/dbraw/zinc/81/87/26/607818726.db2.gz JBQJDLYKUJSBTP-NSHDSACASA-N -1 3 373.819 3.154 20 0 FGADHM C[C@@H](Cc1ccccc1Cl)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000824457288 607818727 /nfs/dbraw/zinc/81/87/27/607818727.db2.gz JBQJDLYKUJSBTP-NSHDSACASA-N -1 3 373.819 3.154 20 0 FGADHM Cc1noc(C)c1[C@@H](C)CC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000826338464 607826877 /nfs/dbraw/zinc/82/68/77/607826877.db2.gz WFMHRRDVDMLNPG-QMMMGPOBSA-N -1 3 372.454 3.154 20 0 FGADHM Cc1noc(C)c1[C@@H](C)CC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000826338464 607826878 /nfs/dbraw/zinc/82/68/78/607826878.db2.gz WFMHRRDVDMLNPG-QMMMGPOBSA-N -1 3 372.454 3.154 20 0 FGADHM Cc1noc(C)c1[C@H](C)CC(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826338406 607830927 /nfs/dbraw/zinc/83/09/27/607830927.db2.gz UQVIRQAXBJUPNW-ZYHUDNBSSA-N -1 3 355.398 3.270 20 0 FGADHM Cc1noc(C)c1[C@H](C)CC(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826338406 607830928 /nfs/dbraw/zinc/83/09/28/607830928.db2.gz UQVIRQAXBJUPNW-ZYHUDNBSSA-N -1 3 355.398 3.270 20 0 FGADHM c1ccc2sc(C3CCN(c4cnccc4-c4nnn[n-]4)CC3)nc2c1 ZINC000826524378 607839359 /nfs/dbraw/zinc/83/93/59/607839359.db2.gz SPDOROMNOMPJHQ-UHFFFAOYSA-N -1 3 363.450 3.255 20 0 FGADHM c1ccc2sc(C3CCN(c4cnccc4-c4nn[n-]n4)CC3)nc2c1 ZINC000826524378 607839360 /nfs/dbraw/zinc/83/93/60/607839360.db2.gz SPDOROMNOMPJHQ-UHFFFAOYSA-N -1 3 363.450 3.255 20 0 FGADHM C[C@H](OC[C@H](O)COc1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)cc1 ZINC000824730376 607870878 /nfs/dbraw/zinc/87/08/78/607870878.db2.gz MZOIECLOBKPWQJ-LRDDRELGSA-N -1 3 374.828 3.038 20 0 FGADHM C[C@H](OC[C@H](O)COc1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)cc1 ZINC000824730376 607870879 /nfs/dbraw/zinc/87/08/79/607870879.db2.gz MZOIECLOBKPWQJ-LRDDRELGSA-N -1 3 374.828 3.038 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1OC[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000826278829 607877334 /nfs/dbraw/zinc/87/73/34/607877334.db2.gz VCNPWGXKIOAYGT-CQSZACIVSA-N -1 3 364.327 3.306 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1OC[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000826278829 607877335 /nfs/dbraw/zinc/87/73/35/607877335.db2.gz VCNPWGXKIOAYGT-CQSZACIVSA-N -1 3 364.327 3.306 20 0 FGADHM C[C@@H](Cc1cccc(Cl)c1)C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000824457491 607881078 /nfs/dbraw/zinc/88/10/78/607881078.db2.gz NUWCFQQOFGFZIG-LBPRGKRZSA-N -1 3 355.829 3.015 20 0 FGADHM C[C@@H](Cc1cccc(Cl)c1)C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000824457491 607881079 /nfs/dbraw/zinc/88/10/79/607881079.db2.gz NUWCFQQOFGFZIG-LBPRGKRZSA-N -1 3 355.829 3.015 20 0 FGADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000825971351 607881523 /nfs/dbraw/zinc/88/15/23/607881523.db2.gz CLLSIPAVNDUXOC-JFIYKMOQSA-N -1 3 353.470 3.432 20 0 FGADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000825971351 607881524 /nfs/dbraw/zinc/88/15/24/607881524.db2.gz CLLSIPAVNDUXOC-JFIYKMOQSA-N -1 3 353.470 3.432 20 0 FGADHM C[C@@H](Nc1c(F)cc(-c2nnn[n-]2)cc1F)c1ccc([S@](C)=O)cc1 ZINC000824651194 607902686 /nfs/dbraw/zinc/90/26/86/607902686.db2.gz XMJQBIYJKVORAE-IJRMKIOGSA-N -1 3 363.393 3.055 20 0 FGADHM C[C@@H](Nc1c(F)cc(-c2nn[n-]n2)cc1F)c1ccc([S@](C)=O)cc1 ZINC000824651194 607902687 /nfs/dbraw/zinc/90/26/87/607902687.db2.gz XMJQBIYJKVORAE-IJRMKIOGSA-N -1 3 363.393 3.055 20 0 FGADHM c1cc(-c2nnn[n-]2)sc1CNc1cccc(-c2n[nH]c(C3CC3)n2)c1 ZINC000826516884 607910960 /nfs/dbraw/zinc/91/09/60/607910960.db2.gz GKIKHTFYHYLHEW-UHFFFAOYSA-N -1 3 364.438 3.203 20 0 FGADHM CC(C)(NCc1ccc(-c2nnn[n-]2)o1)c1ccccc1Br ZINC000824166229 607939827 /nfs/dbraw/zinc/93/98/27/607939827.db2.gz FLHPANMDEURDPK-UHFFFAOYSA-N -1 3 362.231 3.247 20 0 FGADHM CC(C)(NCc1ccc(-c2nn[n-]n2)o1)c1ccccc1Br ZINC000824166229 607939828 /nfs/dbraw/zinc/93/98/28/607939828.db2.gz FLHPANMDEURDPK-UHFFFAOYSA-N -1 3 362.231 3.247 20 0 FGADHM CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000825152878 607948852 /nfs/dbraw/zinc/94/88/52/607948852.db2.gz DXCPAGVUSZBMEV-OWQGQXMQSA-N -1 3 369.469 3.130 20 0 FGADHM CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000825152878 607948853 /nfs/dbraw/zinc/94/88/53/607948853.db2.gz DXCPAGVUSZBMEV-OWQGQXMQSA-N -1 3 369.469 3.130 20 0 FGADHM Cc1ccc([C@@H]2C[C@H](OC(=O)c3sccc3-c3nnn[n-]3)CCO2)cc1 ZINC000826285134 607949356 /nfs/dbraw/zinc/94/93/56/607949356.db2.gz QBTQXGKANAEVMF-HIFRSBDPSA-N -1 3 370.434 3.314 20 0 FGADHM C[C@@H](C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21)c1cccc(Cl)c1 ZINC000824041194 607950372 /nfs/dbraw/zinc/95/03/72/607950372.db2.gz YWVFGTLCZICQAF-LLVKDONJSA-N -1 3 353.813 3.213 20 0 FGADHM C[C@@H](C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21)c1cccc(Cl)c1 ZINC000824041194 607950373 /nfs/dbraw/zinc/95/03/73/607950373.db2.gz YWVFGTLCZICQAF-LLVKDONJSA-N -1 3 353.813 3.213 20 0 FGADHM Cc1nc(-c2ccccc2)oc1C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826322769 607954925 /nfs/dbraw/zinc/95/49/25/607954925.db2.gz AVUIMHVUOVOXDS-UHFFFAOYSA-N -1 3 372.388 3.033 20 0 FGADHM Cc1nc(-c2ccccc2)oc1C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826322769 607954926 /nfs/dbraw/zinc/95/49/26/607954926.db2.gz AVUIMHVUOVOXDS-UHFFFAOYSA-N -1 3 372.388 3.033 20 0 FGADHM C[C@@H](CC(=O)N1CCc2ccc(-c3nnn[n-]3)cc21)c1ccc(F)cc1F ZINC000824385269 607955502 /nfs/dbraw/zinc/95/55/02/607955502.db2.gz PBUYIIHHKFAFQI-NSHDSACASA-N -1 3 369.375 3.228 20 0 FGADHM C[C@@H](CC(=O)N1CCc2ccc(-c3nn[n-]n3)cc21)c1ccc(F)cc1F ZINC000824385269 607955503 /nfs/dbraw/zinc/95/55/03/607955503.db2.gz PBUYIIHHKFAFQI-NSHDSACASA-N -1 3 369.375 3.228 20 0 FGADHM CC[C@H](NC(=O)Nc1cc(-c2nnn[n-]2)ccc1C)c1c(C)noc1C ZINC000825133384 607960858 /nfs/dbraw/zinc/96/08/58/607960858.db2.gz MGGLRHMLKCHRNS-ZDUSSCGKSA-N -1 3 355.402 3.053 20 0 FGADHM CC[C@H](NC(=O)Nc1cc(-c2nn[n-]n2)ccc1C)c1c(C)noc1C ZINC000825133384 607960859 /nfs/dbraw/zinc/96/08/59/607960859.db2.gz MGGLRHMLKCHRNS-ZDUSSCGKSA-N -1 3 355.402 3.053 20 0 FGADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(N[C@@H](c2cccnc2)C2CC2)n1 ZINC000826368174 607968729 /nfs/dbraw/zinc/96/87/29/607968729.db2.gz FPAQLYIAIWSRNK-CYBMUJFWSA-N -1 3 361.331 3.239 20 0 FGADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(N[C@@H](c2cccnc2)C2CC2)n1 ZINC000826368174 607968730 /nfs/dbraw/zinc/96/87/30/607968730.db2.gz FPAQLYIAIWSRNK-CYBMUJFWSA-N -1 3 361.331 3.239 20 0 FGADHM CCCn1c2ccc(-c3nnn[n-]3)cc2nc1-c1ccc(-n2cccn2)cc1 ZINC000825351408 607974784 /nfs/dbraw/zinc/97/47/84/607974784.db2.gz DBYJFEAXVIDCGC-UHFFFAOYSA-N -1 3 370.420 3.479 20 0 FGADHM CCCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1ccc(-n2cccn2)cc1 ZINC000825351408 607974785 /nfs/dbraw/zinc/97/47/85/607974785.db2.gz DBYJFEAXVIDCGC-UHFFFAOYSA-N -1 3 370.420 3.479 20 0 FGADHM Cc1ncc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2)c(Cl)c1Cl ZINC000826329456 607976852 /nfs/dbraw/zinc/97/68/52/607976852.db2.gz DUIGACOGDKWJOJ-UHFFFAOYSA-N -1 3 364.192 3.234 20 0 FGADHM Cc1ncc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1Cl ZINC000826329456 607976853 /nfs/dbraw/zinc/97/68/53/607976853.db2.gz DUIGACOGDKWJOJ-UHFFFAOYSA-N -1 3 364.192 3.234 20 0 FGADHM CC(C)(C)n1ncc2c1ncnc2Oc1ccc(-c2nnn[n-]2)cc1Cl ZINC000824152596 607988337 /nfs/dbraw/zinc/98/83/37/607988337.db2.gz JPOXYSVAMJUDLQ-UHFFFAOYSA-N -1 3 370.804 3.207 20 0 FGADHM CC(C)(C)n1ncc2c1ncnc2Oc1ccc(-c2nn[n-]n2)cc1Cl ZINC000824152596 607988338 /nfs/dbraw/zinc/98/83/38/607988338.db2.gz JPOXYSVAMJUDLQ-UHFFFAOYSA-N -1 3 370.804 3.207 20 0 FGADHM CCc1c(C)sc(NC(=O)CC2CCC(OC)CC2)c1-c1nnn[n-]1 ZINC000825688117 608003883 /nfs/dbraw/zinc/00/38/83/608003883.db2.gz QIZRRPPVONABLU-UHFFFAOYSA-N -1 3 363.487 3.333 20 0 FGADHM CCc1c(C)sc(NC(=O)CC2CCC(OC)CC2)c1-c1nn[n-]n1 ZINC000825688117 608003884 /nfs/dbraw/zinc/00/38/84/608003884.db2.gz QIZRRPPVONABLU-UHFFFAOYSA-N -1 3 363.487 3.333 20 0 FGADHM Cc1ccc(-c2ncco2)cc1NC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000826273816 608004269 /nfs/dbraw/zinc/00/42/69/608004269.db2.gz VNOAIJCFGGGYKZ-UHFFFAOYSA-N -1 3 360.377 3.391 20 0 FGADHM Cc1ccc(-c2ncco2)cc1NC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000826273816 608004270 /nfs/dbraw/zinc/00/42/70/608004270.db2.gz VNOAIJCFGGGYKZ-UHFFFAOYSA-N -1 3 360.377 3.391 20 0 FGADHM O=C(C=Cc1ccc(Cl)nc1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000826400179 608006624 /nfs/dbraw/zinc/00/66/24/608006624.db2.gz RIVXVOAUYLVCOQ-QHHAFSJGSA-N -1 3 361.192 3.220 20 0 FGADHM O=C(C=Cc1ccc(Cl)nc1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000826400179 608006625 /nfs/dbraw/zinc/00/66/25/608006625.db2.gz RIVXVOAUYLVCOQ-QHHAFSJGSA-N -1 3 361.192 3.220 20 0 FGADHM CCc1onc(C)c1NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000825776821 608009066 /nfs/dbraw/zinc/00/90/66/608009066.db2.gz LAVBQQPBDWUHCH-UHFFFAOYSA-N -1 3 369.429 3.168 20 0 FGADHM CCc1onc(C)c1NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000825776821 608009067 /nfs/dbraw/zinc/00/90/67/608009067.db2.gz LAVBQQPBDWUHCH-UHFFFAOYSA-N -1 3 369.429 3.168 20 0 FGADHM CCCn1c2ccccc2nc1NCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000825356894 608046544 /nfs/dbraw/zinc/04/65/44/608046544.db2.gz OWNBQRAOKBEDCL-UHFFFAOYSA-N -1 3 363.425 3.247 20 0 FGADHM CCCn1c2ccccc2nc1NCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000825356894 608046545 /nfs/dbraw/zinc/04/65/45/608046545.db2.gz OWNBQRAOKBEDCL-UHFFFAOYSA-N -1 3 363.425 3.247 20 0 FGADHM Brc1cc(-c2nn[n-]n2)ccc1NCc1ccc2c(c1)COC2 ZINC000823826245 608050925 /nfs/dbraw/zinc/05/09/25/608050925.db2.gz FERWDSCVEXOIBY-UHFFFAOYSA-N -1 3 372.226 3.272 20 0 FGADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CCCc1cc(F)ccc1F ZINC000825971391 608053974 /nfs/dbraw/zinc/05/39/74/608053974.db2.gz DXKKSNUOBSIDGM-UHFFFAOYSA-N -1 3 371.391 3.126 20 0 FGADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CCCc1cc(F)ccc1F ZINC000825971391 608053975 /nfs/dbraw/zinc/05/39/75/608053975.db2.gz DXKKSNUOBSIDGM-UHFFFAOYSA-N -1 3 371.391 3.126 20 0 FGADHM CCN(C)C(=O)c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000825391286 608054069 /nfs/dbraw/zinc/05/40/69/608054069.db2.gz XHSMGXNXQPTMDO-UHFFFAOYSA-N -1 3 357.801 3.404 20 0 FGADHM CCN(C)C(=O)c1ccc(Oc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000825391286 608054070 /nfs/dbraw/zinc/05/40/70/608054070.db2.gz XHSMGXNXQPTMDO-UHFFFAOYSA-N -1 3 357.801 3.404 20 0 FGADHM O=C(CCCc1cc(F)ccc1F)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826407062 608058594 /nfs/dbraw/zinc/05/85/94/608058594.db2.gz ZJJGOJFIYGWVKJ-UHFFFAOYSA-N -1 3 361.327 3.245 20 0 FGADHM O=C(CCCc1cc(F)ccc1F)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826407062 608058595 /nfs/dbraw/zinc/05/85/95/608058595.db2.gz ZJJGOJFIYGWVKJ-UHFFFAOYSA-N -1 3 361.327 3.245 20 0 FGADHM C[C@@H](OC(=O)c1cccc([C@H]2CCOC2)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824721947 608075299 /nfs/dbraw/zinc/07/52/99/608075299.db2.gz FSZNGKBDDOZCCS-ACJLOTCBSA-N -1 3 364.405 3.289 20 0 FGADHM C[C@@H](OC(=O)c1cccc([C@H]2CCOC2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824721947 608075300 /nfs/dbraw/zinc/07/53/00/608075300.db2.gz FSZNGKBDDOZCCS-ACJLOTCBSA-N -1 3 364.405 3.289 20 0 FGADHM c1ccc2c(c1)nc(N[C@@H]1CC[C@@H]3SCCS[C@@H]13)cc2-c1nnn[n-]1 ZINC000826522757 608099028 /nfs/dbraw/zinc/09/90/28/608099028.db2.gz MUOUQELJWZIHOR-YCPHGPKFSA-N -1 3 370.507 3.206 20 0 FGADHM c1ccc2c(c1)nc(N[C@@H]1CC[C@@H]3SCCS[C@@H]13)cc2-c1nn[n-]n1 ZINC000826522757 608099029 /nfs/dbraw/zinc/09/90/29/608099029.db2.gz MUOUQELJWZIHOR-YCPHGPKFSA-N -1 3 370.507 3.206 20 0 FGADHM CN(Cc1ccc(Cl)c(F)c1)C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000825965657 608102572 /nfs/dbraw/zinc/10/25/72/608102572.db2.gz AGMQHZCKLCUEOQ-CLFYSBASSA-N -1 3 371.803 3.331 20 0 FGADHM CN(Cc1ccc(Cl)c(F)c1)C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000825965657 608102573 /nfs/dbraw/zinc/10/25/73/608102573.db2.gz AGMQHZCKLCUEOQ-CLFYSBASSA-N -1 3 371.803 3.331 20 0 FGADHM C[C@H](C[C@@H](O)c1ccco1)Nc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000824393274 608123281 /nfs/dbraw/zinc/12/32/81/608123281.db2.gz RFAQIUXPIWASJC-NOZJJQNGSA-N -1 3 367.331 3.403 20 0 FGADHM Cc1cccc([C@@H]2CCN(C(=O)c3c(F)cc(-c4nnn[n-]4)cc3F)C2)c1 ZINC000826298012 608129799 /nfs/dbraw/zinc/12/97/99/608129799.db2.gz ZIMGFQCUNRMIDB-CYBMUJFWSA-N -1 3 369.375 3.083 20 0 FGADHM Cc1cccc([C@@H]2CCN(C(=O)c3c(F)cc(-c4nn[n-]n4)cc3F)C2)c1 ZINC000826298012 608129800 /nfs/dbraw/zinc/12/98/00/608129800.db2.gz ZIMGFQCUNRMIDB-CYBMUJFWSA-N -1 3 369.375 3.083 20 0 FGADHM Cc1cccc([C@@H]2CCN(C(=O)C=Cc3ccccc3-c3nnn[n-]3)C2)c1 ZINC000826297604 608130058 /nfs/dbraw/zinc/13/00/58/608130058.db2.gz MPZZQZSJGDHFHH-QZEKMECESA-N -1 3 359.433 3.204 20 0 FGADHM Cc1cccc([C@@H]2CCN(C(=O)C=Cc3ccccc3-c3nn[n-]n3)C2)c1 ZINC000826297604 608130059 /nfs/dbraw/zinc/13/00/59/608130059.db2.gz MPZZQZSJGDHFHH-QZEKMECESA-N -1 3 359.433 3.204 20 0 FGADHM FC(F)(F)COc1ccccc1OCc1cccc(-c2nnn[n-]2)c1 ZINC000826367838 608152721 /nfs/dbraw/zinc/15/27/21/608152721.db2.gz QMEMMWOPPUJYMC-UHFFFAOYSA-N -1 3 350.300 3.387 20 0 FGADHM FC(F)(F)COc1ccccc1OCc1cccc(-c2nn[n-]n2)c1 ZINC000826367838 608152723 /nfs/dbraw/zinc/15/27/23/608152723.db2.gz QMEMMWOPPUJYMC-UHFFFAOYSA-N -1 3 350.300 3.387 20 0 FGADHM Cc1cccc(C2=CCN(C(=O)Nc3cccc(-c4nnn[n-]4)c3)CC2)c1 ZINC000826298025 608155533 /nfs/dbraw/zinc/15/55/33/608155533.db2.gz ZPHYCUIQQSSXHU-UHFFFAOYSA-N -1 3 360.421 3.496 20 0 FGADHM Cc1cccc(C2=CCN(C(=O)Nc3cccc(-c4nn[n-]n4)c3)CC2)c1 ZINC000826298025 608155535 /nfs/dbraw/zinc/15/55/35/608155535.db2.gz ZPHYCUIQQSSXHU-UHFFFAOYSA-N -1 3 360.421 3.496 20 0 FGADHM C[C@H]1OCC[C@H]1C(=O)OCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000825018739 608175081 /nfs/dbraw/zinc/17/50/81/608175081.db2.gz APNPDLCJFLTGBP-CZUORRHYSA-N -1 3 364.405 3.002 20 0 FGADHM C[C@H]1OCC[C@H]1C(=O)OCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000825018739 608175083 /nfs/dbraw/zinc/17/50/83/608175083.db2.gz APNPDLCJFLTGBP-CZUORRHYSA-N -1 3 364.405 3.002 20 0 FGADHM O=C(c1c(Cl)cc(-c2nnn[n-]2)cc1Cl)N1CC[C@@H](C2CC2)C1 ZINC000826468299 608209219 /nfs/dbraw/zinc/20/92/19/608209219.db2.gz KNDYVZHCUZBTKN-SECBINFHSA-N -1 3 352.225 3.046 20 0 FGADHM O=C(c1c(Cl)cc(-c2nn[n-]n2)cc1Cl)N1CC[C@@H](C2CC2)C1 ZINC000826468299 608209221 /nfs/dbraw/zinc/20/92/21/608209221.db2.gz KNDYVZHCUZBTKN-SECBINFHSA-N -1 3 352.225 3.046 20 0 FGADHM Oc1ccc(C2=CCN(c3ccc4cc(-c5nnn[n-]5)ccc4n3)CC2)cc1 ZINC000826510881 608222640 /nfs/dbraw/zinc/22/26/40/608222640.db2.gz PGUUJIDZDQFLCZ-UHFFFAOYSA-N -1 3 370.416 3.414 20 0 FGADHM Oc1ccc(C2=CCN(c3ccc4cc(-c5nn[n-]n5)ccc4n3)CC2)cc1 ZINC000826510881 608222641 /nfs/dbraw/zinc/22/26/41/608222641.db2.gz PGUUJIDZDQFLCZ-UHFFFAOYSA-N -1 3 370.416 3.414 20 0 FGADHM c1cc2nc(N[C@H]3CCOC4(CCCC4)C3)ccc2cc1-c1nnn[n-]1 ZINC000826518726 608233610 /nfs/dbraw/zinc/23/36/10/608233610.db2.gz WDRUGZVQMNLKGQ-HNNXBMFYSA-N -1 3 350.426 3.319 20 0 FGADHM c1cc2nc(N[C@H]3CCOC4(CCCC4)C3)ccc2cc1-c1nn[n-]n1 ZINC000826518726 608233612 /nfs/dbraw/zinc/23/36/12/608233612.db2.gz WDRUGZVQMNLKGQ-HNNXBMFYSA-N -1 3 350.426 3.319 20 0 FGADHM c1cc(-c2nnn[n-]2)cc(-c2nnc(CNc3ccc(C4CC4)cc3)o2)c1 ZINC000826512970 608236822 /nfs/dbraw/zinc/23/68/22/608236822.db2.gz VSTZEPMCVWPWER-UHFFFAOYSA-N -1 3 359.393 3.406 20 0 FGADHM c1cc(-c2nn[n-]n2)cc(-c2nnc(CNc3ccc(C4CC4)cc3)o2)c1 ZINC000826512970 608236824 /nfs/dbraw/zinc/23/68/24/608236824.db2.gz VSTZEPMCVWPWER-UHFFFAOYSA-N -1 3 359.393 3.406 20 0 FGADHM CCCn1ncc(C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1C1CC1 ZINC000825363162 608246289 /nfs/dbraw/zinc/24/62/89/608246289.db2.gz VEPWYDDGLIRBJU-LBPRGKRZSA-N -1 3 366.425 3.269 20 0 FGADHM CCCn1ncc(C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1C1CC1 ZINC000825363162 608246291 /nfs/dbraw/zinc/24/62/91/608246291.db2.gz VEPWYDDGLIRBJU-LBPRGKRZSA-N -1 3 366.425 3.269 20 0 FGADHM COc1ccc2c(c1)CCCCN2C(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000826212407 608251736 /nfs/dbraw/zinc/25/17/36/608251736.db2.gz PDKSPRRJSSWFGZ-UHFFFAOYSA-N -1 3 363.421 3.167 20 0 FGADHM COc1ccc2c(c1)CCCCN2C(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000826212407 608251738 /nfs/dbraw/zinc/25/17/38/608251738.db2.gz PDKSPRRJSSWFGZ-UHFFFAOYSA-N -1 3 363.421 3.167 20 0 FGADHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)[C@@H](c1ccccc1)C1CC1 ZINC000826464536 608254432 /nfs/dbraw/zinc/25/44/32/608254432.db2.gz AVFWAWKHFRYIGX-KRWDZBQOSA-N -1 3 352.369 3.243 20 0 FGADHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)[C@@H](c1ccccc1)C1CC1 ZINC000826464536 608254433 /nfs/dbraw/zinc/25/44/33/608254433.db2.gz AVFWAWKHFRYIGX-KRWDZBQOSA-N -1 3 352.369 3.243 20 0 FGADHM CC[C@@H](C)C(=O)Nc1cccc(CNc2nc(C)ccc2-c2nnn[n-]2)c1 ZINC000825050089 608275196 /nfs/dbraw/zinc/27/51/96/608275196.db2.gz GPJQOKKIZMZGPZ-GFCCVEGCSA-N -1 3 365.441 3.167 20 0 FGADHM CC[C@@H](C)C(=O)Nc1cccc(CNc2nc(C)ccc2-c2nn[n-]n2)c1 ZINC000825050089 608275197 /nfs/dbraw/zinc/27/51/97/608275197.db2.gz GPJQOKKIZMZGPZ-GFCCVEGCSA-N -1 3 365.441 3.167 20 0 FGADHM c1ccc2c(c1)OCC[C@H]2CNc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC000826524023 608287117 /nfs/dbraw/zinc/28/71/17/608287117.db2.gz FYWRMHAWMZPYRJ-AWEZNQCLSA-N -1 3 362.437 3.119 20 0 FGADHM c1ccc2c(c1)OCC[C@H]2CNc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC000826524023 608287119 /nfs/dbraw/zinc/28/71/19/608287119.db2.gz FYWRMHAWMZPYRJ-AWEZNQCLSA-N -1 3 362.437 3.119 20 0 FGADHM CC(C)(C)[C@@H]1C[C@@H](Nc2nc3c(cc2-c2nnn[n-]2)CCCC3)CCO1 ZINC000824079351 608300668 /nfs/dbraw/zinc/30/06/68/608300668.db2.gz OYHFJXHCAUJWES-BBRMVZONSA-N -1 3 356.474 3.146 20 0 FGADHM CC(C)(C)[C@@H]1C[C@@H](Nc2nc3c(cc2-c2nn[n-]n2)CCCC3)CCO1 ZINC000824079351 608300670 /nfs/dbraw/zinc/30/06/70/608300670.db2.gz OYHFJXHCAUJWES-BBRMVZONSA-N -1 3 356.474 3.146 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1CNc1ccc2nc(C)sc2c1 ZINC000826170646 608319451 /nfs/dbraw/zinc/31/94/51/608319451.db2.gz JNCVCLHRJSVTIF-UHFFFAOYSA-N -1 3 352.423 3.406 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1CNc1ccc2nc(C)sc2c1 ZINC000826170646 608319453 /nfs/dbraw/zinc/31/94/53/608319453.db2.gz JNCVCLHRJSVTIF-UHFFFAOYSA-N -1 3 352.423 3.406 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1CON=C(N)c1cccc2ccccc21 ZINC000826172957 608323851 /nfs/dbraw/zinc/32/38/51/608323851.db2.gz GAWIHCNPEMXPAU-UHFFFAOYSA-N -1 3 374.404 3.075 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1CON=C(N)c1cccc2ccccc21 ZINC000826172957 608323853 /nfs/dbraw/zinc/32/38/53/608323853.db2.gz GAWIHCNPEMXPAU-UHFFFAOYSA-N -1 3 374.404 3.075 20 0 FGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)OCc1nc(C2CC2)cs1 ZINC000826421016 608352421 /nfs/dbraw/zinc/35/24/21/608352421.db2.gz NPYYODUNRNYHPA-UHFFFAOYSA-N -1 3 373.463 3.036 20 0 FGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)OCc1nc(C2CC2)cs1 ZINC000826421016 608352423 /nfs/dbraw/zinc/35/24/23/608352423.db2.gz NPYYODUNRNYHPA-UHFFFAOYSA-N -1 3 373.463 3.036 20 0 FGADHM CC[C@@H](C)N(C)C(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000825066896 608356840 /nfs/dbraw/zinc/35/68/40/608356840.db2.gz FRVNXBDIRYIGTO-CQSZACIVSA-N -1 3 364.453 3.474 20 0 FGADHM CC[C@@H](C)N(C)C(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000825066896 608356842 /nfs/dbraw/zinc/35/68/42/608356842.db2.gz FRVNXBDIRYIGTO-CQSZACIVSA-N -1 3 364.453 3.474 20 0 FGADHM FC(F)(F)COCCCNc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000826367804 608369690 /nfs/dbraw/zinc/36/96/90/608369690.db2.gz OTKJLZJDNSEISJ-UHFFFAOYSA-N -1 3 369.269 3.266 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1CN[C@@H](c1ccccc1)C(F)(F)F ZINC000826170388 608370976 /nfs/dbraw/zinc/37/09/76/608370976.db2.gz YOODWFCEOBKRNE-HNNXBMFYSA-N -1 3 363.343 3.269 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1CN[C@@H](c1ccccc1)C(F)(F)F ZINC000826170388 608370977 /nfs/dbraw/zinc/37/09/77/608370977.db2.gz YOODWFCEOBKRNE-HNNXBMFYSA-N -1 3 363.343 3.269 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)c1ccc(F)c(SC)c1 ZINC000826172837 608380892 /nfs/dbraw/zinc/38/08/92/608380892.db2.gz ZVKBOBOWHAIDFH-UHFFFAOYSA-N -1 3 374.397 3.093 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)c1ccc(F)c(SC)c1 ZINC000826172837 608380893 /nfs/dbraw/zinc/38/08/93/608380893.db2.gz ZVKBOBOWHAIDFH-UHFFFAOYSA-N -1 3 374.397 3.093 20 0 FGADHM Fc1ccc(-c2nnc(SCc3cccc(-c4nnn[n-]4)c3F)o2)cc1 ZINC000826372940 608393417 /nfs/dbraw/zinc/39/34/17/608393417.db2.gz SNZMRVXEHBZXTH-UHFFFAOYSA-N -1 3 372.360 3.487 20 0 FGADHM Fc1ccc(-c2nnc(SCc3cccc(-c4nn[n-]n4)c3F)o2)cc1 ZINC000826372940 608393419 /nfs/dbraw/zinc/39/34/19/608393419.db2.gz SNZMRVXEHBZXTH-UHFFFAOYSA-N -1 3 372.360 3.487 20 0 FGADHM CCSc1nnc(SCc2cccc(-c3nnn[n-]3)c2F)s1 ZINC000825679853 608393966 /nfs/dbraw/zinc/39/39/66/608393966.db2.gz KKTAGEBALLHJJV-UHFFFAOYSA-N -1 3 354.461 3.262 20 0 FGADHM CCSc1nnc(SCc2cccc(-c3nn[n-]n3)c2F)s1 ZINC000825679853 608393968 /nfs/dbraw/zinc/39/39/68/608393968.db2.gz KKTAGEBALLHJJV-UHFFFAOYSA-N -1 3 354.461 3.262 20 0 FGADHM Cc1nc(CCOc2ccc(Br)cc2-c2nnn[n-]2)cs1 ZINC000826325764 608403829 /nfs/dbraw/zinc/40/38/29/608403829.db2.gz KYZZDECTRDLSLF-UHFFFAOYSA-N -1 3 366.244 3.016 20 0 FGADHM Cc1nc(CCOc2ccc(Br)cc2-c2nn[n-]n2)cs1 ZINC000826325764 608403830 /nfs/dbraw/zinc/40/38/30/608403830.db2.gz KYZZDECTRDLSLF-UHFFFAOYSA-N -1 3 366.244 3.016 20 0 FGADHM Fc1c(CN2CC[C@@H](Oc3ccccc3Cl)C2)cccc1-c1nnn[n-]1 ZINC000826370708 608414326 /nfs/dbraw/zinc/41/43/26/608414326.db2.gz FBEBHJKLSNCAJE-CYBMUJFWSA-N -1 3 373.819 3.313 20 0 FGADHM Fc1c(CN2CC[C@@H](Oc3ccccc3Cl)C2)cccc1-c1nn[n-]n1 ZINC000826370708 608414328 /nfs/dbraw/zinc/41/43/28/608414328.db2.gz FBEBHJKLSNCAJE-CYBMUJFWSA-N -1 3 373.819 3.313 20 0 FGADHM Fc1c(CN2CC(c3nc4ccccc4s3)C2)cccc1-c1nnn[n-]1 ZINC000826370190 608419153 /nfs/dbraw/zinc/41/91/53/608419153.db2.gz HTUQXCJDPHOCNN-UHFFFAOYSA-N -1 3 366.425 3.215 20 0 FGADHM Fc1c(CN2CC(c3nc4ccccc4s3)C2)cccc1-c1nn[n-]n1 ZINC000826370190 608419155 /nfs/dbraw/zinc/41/91/55/608419155.db2.gz HTUQXCJDPHOCNN-UHFFFAOYSA-N -1 3 366.425 3.215 20 0 FGADHM C[C@@H](SCc1ccccc1)C(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000824753495 608442584 /nfs/dbraw/zinc/44/25/84/608442584.db2.gz DLVBSZZVMCLHBW-GFCCVEGCSA-N -1 3 372.425 3.371 20 0 FGADHM C[C@@H](SCc1ccccc1)C(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000824753495 608442586 /nfs/dbraw/zinc/44/25/86/608442586.db2.gz DLVBSZZVMCLHBW-GFCCVEGCSA-N -1 3 372.425 3.371 20 0 FGADHM Fc1cccc2ncnc(N3CC=C(c4ccc(-c5nnn[n-]5)cc4)CC3)c12 ZINC000826378025 608442597 /nfs/dbraw/zinc/44/25/97/608442597.db2.gz RIHXUUXJDQNUKQ-UHFFFAOYSA-N -1 3 373.395 3.243 20 0 FGADHM Fc1cccc2ncnc(N3CC=C(c4ccc(-c5nn[n-]n5)cc4)CC3)c12 ZINC000826378025 608442599 /nfs/dbraw/zinc/44/25/99/608442599.db2.gz RIHXUUXJDQNUKQ-UHFFFAOYSA-N -1 3 373.395 3.243 20 0 FGADHM C[C@@H](Cc1ccc(F)cc1)C(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000824458725 608444191 /nfs/dbraw/zinc/44/41/91/608444191.db2.gz XYTIPKOBNXLHBE-NSHDSACASA-N -1 3 358.348 3.067 20 0 FGADHM C[C@@H](Cc1ccc(F)cc1)C(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000824458725 608444193 /nfs/dbraw/zinc/44/41/93/608444193.db2.gz XYTIPKOBNXLHBE-NSHDSACASA-N -1 3 358.348 3.067 20 0 FGADHM C[C@@H]1CC(Nc2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)C[C@@H](C)O1 ZINC000824894027 608444944 /nfs/dbraw/zinc/44/49/44/608444944.db2.gz WRIMWKPUWGVCEC-RKDXNWHRSA-N -1 3 360.368 3.061 20 0 FGADHM C[C@@H]1CC(Nc2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)C[C@@H](C)O1 ZINC000824894027 608444945 /nfs/dbraw/zinc/44/49/45/608444945.db2.gz WRIMWKPUWGVCEC-RKDXNWHRSA-N -1 3 360.368 3.061 20 0 FGADHM C[C@@H](CCc1ccccc1F)C(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000824413830 608449290 /nfs/dbraw/zinc/44/92/90/608449290.db2.gz QIACYRXHAPOFGD-LBPRGKRZSA-N -1 3 372.375 3.457 20 0 FGADHM C[C@@H](CCc1ccccc1F)C(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000824413830 608449291 /nfs/dbraw/zinc/44/92/91/608449291.db2.gz QIACYRXHAPOFGD-LBPRGKRZSA-N -1 3 372.375 3.457 20 0 FGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)c1cc(C2CCCCC2)[nH]n1 ZINC000826466026 608455540 /nfs/dbraw/zinc/45/55/40/608455540.db2.gz MSOORVYNRNHTGJ-UHFFFAOYSA-N -1 3 370.388 3.134 20 0 FGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)c1cc(C2CCCCC2)[nH]n1 ZINC000826466026 608455542 /nfs/dbraw/zinc/45/55/42/608455542.db2.gz MSOORVYNRNHTGJ-UHFFFAOYSA-N -1 3 370.388 3.134 20 0 FGADHM Clc1cc(CN2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)ccn1 ZINC000826350877 608464352 /nfs/dbraw/zinc/46/43/52/608464352.db2.gz OPYRFCZQWORWHZ-UHFFFAOYSA-N -1 3 352.829 3.204 20 0 FGADHM Cc1cc(C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c(C)s1 ZINC000826257964 608483143 /nfs/dbraw/zinc/48/31/43/608483143.db2.gz VFLIKWCHBWJHBK-UHFFFAOYSA-N -1 3 365.462 3.475 20 0 FGADHM Cc1cc(C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c(C)s1 ZINC000826257964 608483144 /nfs/dbraw/zinc/48/31/44/608483144.db2.gz VFLIKWCHBWJHBK-UHFFFAOYSA-N -1 3 365.462 3.475 20 0 FGADHM C[C@@H](NCc1csc(-c2ccoc2)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000824626485 608489624 /nfs/dbraw/zinc/48/96/24/608489624.db2.gz PABABKJINSYXAG-LLVKDONJSA-N -1 3 352.423 3.434 20 0 FGADHM Cc1ccccc1-c1noc(CNC2(c3cccc(-c4nnn[n-]4)c3)CC2)n1 ZINC000826304918 608528290 /nfs/dbraw/zinc/52/82/90/608528290.db2.gz DPLUGDRMBIKAHE-UHFFFAOYSA-N -1 3 373.420 3.004 20 0 FGADHM Cc1ccccc1-c1noc(CNC2(c3cccc(-c4nn[n-]n4)c3)CC2)n1 ZINC000826304918 608528292 /nfs/dbraw/zinc/52/82/92/608528292.db2.gz DPLUGDRMBIKAHE-UHFFFAOYSA-N -1 3 373.420 3.004 20 0 FGADHM CC1(C)CC[C@@H](NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)C1 ZINC000824802373 608554139 /nfs/dbraw/zinc/55/41/39/608554139.db2.gz MGXACYTWEZJCTK-OAHLLOKOSA-N -1 3 357.458 3.111 20 0 FGADHM CC1(C)CC[C@@H](NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)C1 ZINC000824802373 608554141 /nfs/dbraw/zinc/55/41/41/608554141.db2.gz MGXACYTWEZJCTK-OAHLLOKOSA-N -1 3 357.458 3.111 20 0 FGADHM Fc1ccccc1COC1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000826378562 608558793 /nfs/dbraw/zinc/55/87/93/608558793.db2.gz PXJLNIHICVSZAV-UHFFFAOYSA-N -1 3 371.391 3.331 20 0 FGADHM Clc1nn(CCCOc2cccc(-c3nnn[n-]3)c2)c2ccccc12 ZINC000826353925 608584162 /nfs/dbraw/zinc/58/41/62/608584162.db2.gz JLOYBKSHHQMNDC-UHFFFAOYSA-N -1 3 354.801 3.339 20 0 FGADHM Clc1nn(CCCOc2cccc(-c3nn[n-]n3)c2)c2ccccc12 ZINC000826353925 608584163 /nfs/dbraw/zinc/58/41/63/608584163.db2.gz JLOYBKSHHQMNDC-UHFFFAOYSA-N -1 3 354.801 3.339 20 0 FGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@@H](C)[C@@H]1C ZINC000824319152 608599819 /nfs/dbraw/zinc/59/98/19/608599819.db2.gz HNQGVINVOAOGDA-OLZOCXBDSA-N -1 3 358.446 3.306 20 0 FGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@@H](C)[C@@H]1C ZINC000824319152 608599821 /nfs/dbraw/zinc/59/98/21/608599821.db2.gz HNQGVINVOAOGDA-OLZOCXBDSA-N -1 3 358.446 3.306 20 0 FGADHM Cc1cc(OCc2cccc(-c3nnn[n-]3)c2)ccc1NC(=O)C(C)(C)F ZINC000826271872 608617760 /nfs/dbraw/zinc/61/77/60/608617760.db2.gz KZNGFLMCHRDEBM-UHFFFAOYSA-N -1 3 369.400 3.441 20 0 FGADHM Cc1cc(OCc2cccc(-c3nn[n-]n3)c2)ccc1NC(=O)C(C)(C)F ZINC000826271872 608617763 /nfs/dbraw/zinc/61/77/63/608617763.db2.gz KZNGFLMCHRDEBM-UHFFFAOYSA-N -1 3 369.400 3.441 20 0 FGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H]1CCC(C)(C)C1 ZINC000824293399 608621795 /nfs/dbraw/zinc/62/17/95/608621795.db2.gz KJTPADXHDXIBBT-MRXNPFEDSA-N -1 3 356.474 3.365 20 0 FGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1CCC(C)(C)C1 ZINC000824293399 608621796 /nfs/dbraw/zinc/62/17/96/608621796.db2.gz KJTPADXHDXIBBT-MRXNPFEDSA-N -1 3 356.474 3.365 20 0 FGADHM CC1(C)CC[C@H](NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)C1 ZINC000824801373 608622677 /nfs/dbraw/zinc/62/26/77/608622677.db2.gz DXTJMKMNQIOHQF-HNNXBMFYSA-N -1 3 354.458 3.119 20 0 FGADHM CC1(C)CC[C@H](NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)C1 ZINC000824801373 608622679 /nfs/dbraw/zinc/62/26/79/608622679.db2.gz DXTJMKMNQIOHQF-HNNXBMFYSA-N -1 3 354.458 3.119 20 0 FGADHM C[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)s2)C[C@H](c2ccc(F)cc2)O1 ZINC000824985211 608718121 /nfs/dbraw/zinc/71/81/21/608718121.db2.gz TUHNTYAEJYOMHO-IAQYHMDHSA-N -1 3 359.430 3.029 20 0 FGADHM C[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)C[C@H](c2ccc(F)cc2)O1 ZINC000824985211 608718124 /nfs/dbraw/zinc/71/81/24/608718124.db2.gz TUHNTYAEJYOMHO-IAQYHMDHSA-N -1 3 359.430 3.029 20 0 FGADHM O=C(O[C@@H](c1nccs1)c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826461687 608823022 /nfs/dbraw/zinc/82/30/22/608823022.db2.gz DBIOGRNUJJVHAL-OAHLLOKOSA-N -1 3 363.402 3.270 20 0 FGADHM O=C(O[C@@H](c1nccs1)c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826461687 608823024 /nfs/dbraw/zinc/82/30/24/608823024.db2.gz DBIOGRNUJJVHAL-OAHLLOKOSA-N -1 3 363.402 3.270 20 0 FGADHM CC(C)(C)OC(=O)c1cccc(C(=O)Nc2ccccc2-c2nnn[n-]2)c1 ZINC000824113827 608827563 /nfs/dbraw/zinc/82/75/63/608827563.db2.gz FHHFDLKHRGUMIP-UHFFFAOYSA-N -1 3 365.393 3.074 20 0 FGADHM CC(C)(C)OC(=O)c1cccc(C(=O)Nc2ccccc2-c2nn[n-]n2)c1 ZINC000824113827 608827564 /nfs/dbraw/zinc/82/75/64/608827564.db2.gz FHHFDLKHRGUMIP-UHFFFAOYSA-N -1 3 365.393 3.074 20 0 FGADHM C[C@H](Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1)c1cccs1 ZINC000824657609 608870860 /nfs/dbraw/zinc/87/08/60/608870860.db2.gz RPURKMZNVGUHLU-LBPRGKRZSA-N -1 3 370.482 3.062 20 0 FGADHM C[C@H](Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1)c1cccs1 ZINC000824657609 608870862 /nfs/dbraw/zinc/87/08/62/608870862.db2.gz RPURKMZNVGUHLU-LBPRGKRZSA-N -1 3 370.482 3.062 20 0 FGADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1)c1ccc([C@@H]2CCCOC2)cc1 ZINC000826464626 609136614 /nfs/dbraw/zinc/13/66/14/609136614.db2.gz FRWVZYCOVZBGHW-GOSISDBHSA-N -1 3 364.405 3.118 20 0 FGADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1)c1ccc([C@@H]2CCCOC2)cc1 ZINC000826464626 609136616 /nfs/dbraw/zinc/13/66/16/609136616.db2.gz FRWVZYCOVZBGHW-GOSISDBHSA-N -1 3 364.405 3.118 20 0 FGADHM Cc1cc(C(=O)Nc2ccccc2-c2nnn[n-]2)nn1-c1cc(C)cc(C)c1 ZINC000826263432 609140035 /nfs/dbraw/zinc/14/00/35/609140035.db2.gz BEJQOCJAVDWGSW-UHFFFAOYSA-N -1 3 373.420 3.230 20 0 FGADHM Cc1cc(C(=O)Nc2ccccc2-c2nn[n-]n2)nn1-c1cc(C)cc(C)c1 ZINC000826263432 609140038 /nfs/dbraw/zinc/14/00/38/609140038.db2.gz BEJQOCJAVDWGSW-UHFFFAOYSA-N -1 3 373.420 3.230 20 0 FGADHM C[C@H](N[C@@H]1COc2c1cccc2Cl)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824553502 609152920 /nfs/dbraw/zinc/15/29/20/609152920.db2.gz BZXWCEDFCHROMA-BJOHPYRUSA-N -1 3 359.792 3.444 20 0 FGADHM C[C@H](N[C@@H]1COc2c1cccc2Cl)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824553502 609152921 /nfs/dbraw/zinc/15/29/21/609152921.db2.gz BZXWCEDFCHROMA-BJOHPYRUSA-N -1 3 359.792 3.444 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H]1CCO[C@@H](CCC)C1 ZINC000825332300 609156469 /nfs/dbraw/zinc/15/64/69/609156469.db2.gz GRPWQMQDLAXANV-GJZGRUSLSA-N -1 3 372.473 3.222 20 0 FGADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)[C@H]2C[C@@H]2C2CC2)c1-c1nnn[n-]1 ZINC000826233674 609168243 /nfs/dbraw/zinc/16/82/43/609168243.db2.gz QYSQHESKCRPOQR-CVEARBPZSA-N -1 3 362.437 3.259 20 0 FGADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)[C@H]2C[C@@H]2C2CC2)c1-c1nn[n-]n1 ZINC000826233674 609168244 /nfs/dbraw/zinc/16/82/44/609168244.db2.gz QYSQHESKCRPOQR-CVEARBPZSA-N -1 3 362.437 3.259 20 0 FGADHM CC(C)C[C@@H]1C[C@H](Nc2ccc3cc(-c4nnn[n-]4)ccc3n2)CCO1 ZINC000824245244 609171264 /nfs/dbraw/zinc/17/12/64/609171264.db2.gz WYQXJINWTHOBGM-HZPDHXFCSA-N -1 3 352.442 3.421 20 0 FGADHM CC(C)C[C@@H]1C[C@H](Nc2ccc3cc(-c4nn[n-]n4)ccc3n2)CCO1 ZINC000824245244 609171266 /nfs/dbraw/zinc/17/12/66/609171266.db2.gz WYQXJINWTHOBGM-HZPDHXFCSA-N -1 3 352.442 3.421 20 0 FGADHM COCCOc1ccccc1CNc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826163126 609199572 /nfs/dbraw/zinc/19/95/72/609199572.db2.gz HOPSYISTOKFPLP-UHFFFAOYSA-N -1 3 359.817 3.157 20 0 FGADHM COCCOc1ccccc1CNc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826163126 609199574 /nfs/dbraw/zinc/19/95/74/609199574.db2.gz HOPSYISTOKFPLP-UHFFFAOYSA-N -1 3 359.817 3.157 20 0 FGADHM O=C(Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1)c1cccc(O)c1 ZINC000826455344 609199771 /nfs/dbraw/zinc/19/97/71/609199771.db2.gz KIPIULAFXQXCSN-UHFFFAOYSA-N -1 3 374.360 3.012 20 0 FGADHM Clc1ccc2ncc(CNc3ccc(Cl)c(-c4nnn[n-]4)c3)n2c1 ZINC000826352993 609199775 /nfs/dbraw/zinc/19/97/75/609199775.db2.gz XBGYZFCKPMQFHN-UHFFFAOYSA-N -1 3 360.208 3.433 20 0 FGADHM Clc1ccc2ncc(CNc3ccc(Cl)c(-c4nn[n-]n4)c3)n2c1 ZINC000826352993 609199777 /nfs/dbraw/zinc/19/97/77/609199777.db2.gz XBGYZFCKPMQFHN-UHFFFAOYSA-N -1 3 360.208 3.433 20 0 FGADHM Clc1ccc(NCc2cnn(Cc3ccccc3)c2)cc1-c1nnn[n-]1 ZINC000826352759 609200082 /nfs/dbraw/zinc/20/00/82/609200082.db2.gz NCEYSHMDVQHGBP-UHFFFAOYSA-N -1 3 365.828 3.377 20 0 FGADHM Clc1ccc(NCc2cnn(Cc3ccccc3)c2)cc1-c1nn[n-]n1 ZINC000826352759 609200083 /nfs/dbraw/zinc/20/00/83/609200083.db2.gz NCEYSHMDVQHGBP-UHFFFAOYSA-N -1 3 365.828 3.377 20 0 FGADHM CC(C)[C@H](c1ccccc1Cl)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000824215643 609212679 /nfs/dbraw/zinc/21/26/79/609212679.db2.gz MKSWGOIOYFJTIL-OAHLLOKOSA-N -1 3 358.833 3.318 20 0 FGADHM CC(C)[C@H](c1ccccc1Cl)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000824215643 609212680 /nfs/dbraw/zinc/21/26/80/609212680.db2.gz MKSWGOIOYFJTIL-OAHLLOKOSA-N -1 3 358.833 3.318 20 0 FGADHM CCCCC[C@H](NC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)C(C)(C)C ZINC000825266832 609231409 /nfs/dbraw/zinc/23/14/09/609231409.db2.gz HTBCEOFDOHDDAC-HOTGVXAUSA-N -1 3 359.474 3.011 20 0 FGADHM CCCCC[C@H](NC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)C(C)(C)C ZINC000825266832 609231410 /nfs/dbraw/zinc/23/14/10/609231410.db2.gz HTBCEOFDOHDDAC-HOTGVXAUSA-N -1 3 359.474 3.011 20 0 FGADHM C[C@H](Nc1cc(N2CCCC2=O)ccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000824648545 609254096 /nfs/dbraw/zinc/25/40/96/609254096.db2.gz GWWPSXMVQJVUMO-LBPRGKRZSA-N -1 3 366.400 3.306 20 0 FGADHM C[C@H](Nc1cc(N2CCCC2=O)ccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000824648545 609254098 /nfs/dbraw/zinc/25/40/98/609254098.db2.gz GWWPSXMVQJVUMO-LBPRGKRZSA-N -1 3 366.400 3.306 20 0 FGADHM O=C(c1ccccc1Sc1ccccc1-c1nnn[n-]1)N1CC(F)(F)C1 ZINC000826474397 609267851 /nfs/dbraw/zinc/26/78/51/609267851.db2.gz OCYXHZRODUPZOO-UHFFFAOYSA-N -1 3 373.388 3.109 20 0 FGADHM O=C(c1ccccc1Sc1ccccc1-c1nn[n-]n1)N1CC(F)(F)C1 ZINC000826474397 609267852 /nfs/dbraw/zinc/26/78/52/609267852.db2.gz OCYXHZRODUPZOO-UHFFFAOYSA-N -1 3 373.388 3.109 20 0 FGADHM Cc1ccc(C(=O)N(C)C)cc1N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826281031 609275790 /nfs/dbraw/zinc/27/57/90/609275790.db2.gz AGOUNSGXJJMLJA-CYBMUJFWSA-N -1 3 350.426 3.050 20 0 FGADHM Cc1ccc(C(=O)N(C)C)cc1N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826281031 609275792 /nfs/dbraw/zinc/27/57/92/609275792.db2.gz AGOUNSGXJJMLJA-CYBMUJFWSA-N -1 3 350.426 3.050 20 0 FGADHM Cc1ccc(C(=O)N(C)C)cc1N[C@@H](C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826281516 609275951 /nfs/dbraw/zinc/27/59/51/609275951.db2.gz WNYKWZHFNZPXNR-LBPRGKRZSA-N -1 3 368.416 3.189 20 0 FGADHM Cc1ccc(C(=O)N(C)C)cc1N[C@@H](C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826281516 609275952 /nfs/dbraw/zinc/27/59/52/609275952.db2.gz WNYKWZHFNZPXNR-LBPRGKRZSA-N -1 3 368.416 3.189 20 0 FGADHM Cc1c(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cnn1C1CCCCC1 ZINC000826234527 609280602 /nfs/dbraw/zinc/28/06/02/609280602.db2.gz AQTBIWSEIMNLLO-UHFFFAOYSA-N -1 3 369.404 3.268 20 0 FGADHM Cc1c(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cnn1C1CCCCC1 ZINC000826234527 609280604 /nfs/dbraw/zinc/28/06/04/609280604.db2.gz AQTBIWSEIMNLLO-UHFFFAOYSA-N -1 3 369.404 3.268 20 0 FGADHM Cc1c(C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)cnn1C1CCCCC1 ZINC000826278469 609281429 /nfs/dbraw/zinc/28/14/29/609281429.db2.gz DTCDSRZDUCBGLM-UHFFFAOYSA-N -1 3 365.441 3.438 20 0 FGADHM Cc1c(C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)cnn1C1CCCCC1 ZINC000826278469 609281431 /nfs/dbraw/zinc/28/14/31/609281431.db2.gz DTCDSRZDUCBGLM-UHFFFAOYSA-N -1 3 365.441 3.438 20 0 FGADHM Clc1cnc(CNC2(c3cccc(-c4nnn[n-]4)c3)CC2)c(Cl)c1 ZINC000826353905 609281538 /nfs/dbraw/zinc/28/15/38/609281538.db2.gz IMTSTULIMOINDD-UHFFFAOYSA-N -1 3 361.236 3.347 20 0 FGADHM Clc1cnc(CNC2(c3cccc(-c4nn[n-]n4)c3)CC2)c(Cl)c1 ZINC000826353905 609281540 /nfs/dbraw/zinc/28/15/40/609281540.db2.gz IMTSTULIMOINDD-UHFFFAOYSA-N -1 3 361.236 3.347 20 0 FGADHM O=C(N[C@H]1CCc2cc(F)ccc21)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826431911 609290547 /nfs/dbraw/zinc/29/05/47/609290547.db2.gz NJDSAMWIEVHAQV-HNNXBMFYSA-N -1 3 357.776 3.077 20 0 FGADHM O=C(N[C@H]1CCc2cc(F)ccc21)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826431911 609290548 /nfs/dbraw/zinc/29/05/48/609290548.db2.gz NJDSAMWIEVHAQV-HNNXBMFYSA-N -1 3 357.776 3.077 20 0 FGADHM CC(=O)Nc1cc(NC(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)ccc1C ZINC000823999881 609297806 /nfs/dbraw/zinc/29/78/06/609297806.db2.gz LLBCNMJYGAVEES-UHFFFAOYSA-N -1 3 370.800 3.039 20 0 FGADHM CC(=O)Nc1cc(NC(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)ccc1C ZINC000823999881 609297807 /nfs/dbraw/zinc/29/78/07/609297807.db2.gz LLBCNMJYGAVEES-UHFFFAOYSA-N -1 3 370.800 3.039 20 0 FGADHM CCN(Cc1ccc(OC)cc1)C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000825435332 609298475 /nfs/dbraw/zinc/29/84/75/609298475.db2.gz UOBDJSLZIDUIBN-UHFFFAOYSA-N -1 3 371.828 3.191 20 0 FGADHM CCN(Cc1ccc(OC)cc1)C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000825435332 609298477 /nfs/dbraw/zinc/29/84/77/609298477.db2.gz UOBDJSLZIDUIBN-UHFFFAOYSA-N -1 3 371.828 3.191 20 0 FGADHM Cc1ccc(CNc2ccc(Cl)cc2-c2nnn[n-]2)c(N2CCCC2)n1 ZINC000826288582 609313085 /nfs/dbraw/zinc/31/30/85/609313085.db2.gz OADRRRSWIWYVDJ-UHFFFAOYSA-N -1 3 369.860 3.436 20 0 FGADHM Cc1ccc(CNc2ccc(Cl)cc2-c2nn[n-]n2)c(N2CCCC2)n1 ZINC000826288582 609313087 /nfs/dbraw/zinc/31/30/87/609313087.db2.gz OADRRRSWIWYVDJ-UHFFFAOYSA-N -1 3 369.860 3.436 20 0 FGADHM COc1cccc2[nH]cc(CCNc3ccc(F)cc3-c3nnn[n-]3)c21 ZINC000826217419 609324927 /nfs/dbraw/zinc/32/49/27/609324927.db2.gz LKAIVXBACSPYDB-UHFFFAOYSA-N -1 3 352.373 3.150 20 0 FGADHM COc1cccc2[nH]cc(CCNc3ccc(F)cc3-c3nn[n-]n3)c21 ZINC000826217419 609324929 /nfs/dbraw/zinc/32/49/29/609324929.db2.gz LKAIVXBACSPYDB-UHFFFAOYSA-N -1 3 352.373 3.150 20 0 FGADHM COc1cccc2c1OCC[C@H]2N[C@H](C)c1ccc(-c2nn[n-]n2)cc1F ZINC000826217942 609341889 /nfs/dbraw/zinc/34/18/89/609341889.db2.gz JATNRXZMWRXNNY-BDJLRTHQSA-N -1 3 369.400 3.189 20 0 FGADHM C[C@H](NCc1cccc2c1OCCCO2)c1ccc(-c2nnn[n-]2)cc1F ZINC000824618245 609344022 /nfs/dbraw/zinc/34/40/22/609344022.db2.gz NTECXVRUQBRJFD-LBPRGKRZSA-N -1 3 369.400 3.018 20 0 FGADHM C[C@H](NCc1cccc2c1OCCCO2)c1ccc(-c2nn[n-]n2)cc1F ZINC000824618245 609344024 /nfs/dbraw/zinc/34/40/24/609344024.db2.gz NTECXVRUQBRJFD-LBPRGKRZSA-N -1 3 369.400 3.018 20 0 FGADHM CC(C)Cn1ncc(NCc2cc(-c3nnn[n-]3)cs2)c1C(F)F ZINC000824284903 609344071 /nfs/dbraw/zinc/34/40/71/609344071.db2.gz RSMUGSJTKGJZJE-UHFFFAOYSA-N -1 3 353.402 3.330 20 0 FGADHM CC(C)Cn1ncc(NCc2cc(-c3nn[n-]n3)cs2)c1C(F)F ZINC000824284903 609344073 /nfs/dbraw/zinc/34/40/73/609344073.db2.gz RSMUGSJTKGJZJE-UHFFFAOYSA-N -1 3 353.402 3.330 20 0 FGADHM C[C@@H](NCc1cccc(OC(C)(C)C)n1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824617144 609345164 /nfs/dbraw/zinc/34/51/64/609345164.db2.gz DVYZISPRKBEYDC-GFCCVEGCSA-N -1 3 370.432 3.429 20 0 FGADHM C[C@@H](NCc1cccc(OC(C)(C)C)n1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824617144 609345166 /nfs/dbraw/zinc/34/51/66/609345166.db2.gz DVYZISPRKBEYDC-GFCCVEGCSA-N -1 3 370.432 3.429 20 0 FGADHM COCCOc1ccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000826162865 609346178 /nfs/dbraw/zinc/34/61/78/609346178.db2.gz VQSIBUUMJYNTAC-LBPRGKRZSA-N -1 3 357.389 3.204 20 0 FGADHM COCCOc1ccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000826162865 609346181 /nfs/dbraw/zinc/34/61/81/609346181.db2.gz VQSIBUUMJYNTAC-LBPRGKRZSA-N -1 3 357.389 3.204 20 0 FGADHM COc1cc(OC)c(OC)cc1N[C@H](C)c1ccc(-c2nnn[n-]2)cc1F ZINC000826181247 609349705 /nfs/dbraw/zinc/34/97/05/609349705.db2.gz QYMZZXNIYPPRRZ-SNVBAGLBSA-N -1 3 373.388 3.205 20 0 FGADHM COc1cc(OC)c(OC)cc1N[C@H](C)c1ccc(-c2nn[n-]n2)cc1F ZINC000826181247 609349706 /nfs/dbraw/zinc/34/97/06/609349706.db2.gz QYMZZXNIYPPRRZ-SNVBAGLBSA-N -1 3 373.388 3.205 20 0 FGADHM COCCOc1ccccc1N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1F ZINC000826163040 609349854 /nfs/dbraw/zinc/34/98/54/609349854.db2.gz DJTDWAPAWNIIIX-LBPRGKRZSA-N -1 3 357.389 3.204 20 0 FGADHM COCCOc1ccccc1N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1F ZINC000826163040 609349856 /nfs/dbraw/zinc/34/98/56/609349856.db2.gz DJTDWAPAWNIIIX-LBPRGKRZSA-N -1 3 357.389 3.204 20 0 FGADHM COC(=O)[C@H](Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1)C1CC1 ZINC000826111915 609373449 /nfs/dbraw/zinc/37/34/49/609373449.db2.gz OFSVFAGNLNPIHB-QGZVFWFLSA-N -1 3 365.393 3.023 20 0 FGADHM COC(=O)[C@H](Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)C1CC1 ZINC000826111915 609373450 /nfs/dbraw/zinc/37/34/50/609373450.db2.gz OFSVFAGNLNPIHB-QGZVFWFLSA-N -1 3 365.393 3.023 20 0 FGADHM CCC(CC)[C@@H]1C[C@H](NC(=O)Nc2cc(-c3nnn[n-]3)ccc2C)CCO1 ZINC000825106815 609381209 /nfs/dbraw/zinc/38/12/09/609381209.db2.gz IWAZHPFLEGJIPI-WBVHZDCISA-N -1 3 372.473 3.280 20 0 FGADHM CCC(CC)[C@@H]1C[C@H](NC(=O)Nc2cc(-c3nn[n-]n3)ccc2C)CCO1 ZINC000825106815 609381210 /nfs/dbraw/zinc/38/12/10/609381210.db2.gz IWAZHPFLEGJIPI-WBVHZDCISA-N -1 3 372.473 3.280 20 0 FGADHM C[C@H](OC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1nc2ccccc2o1 ZINC000824714058 609403265 /nfs/dbraw/zinc/40/32/65/609403265.db2.gz MCDPCDVPQWCNON-WEHUKYGOSA-N -1 3 361.361 3.326 20 0 FGADHM C[C@H](OC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1nc2ccccc2o1 ZINC000824714058 609403268 /nfs/dbraw/zinc/40/32/68/609403268.db2.gz MCDPCDVPQWCNON-WEHUKYGOSA-N -1 3 361.361 3.326 20 0 FGADHM O=C1[C@@H](SCCC(F)(F)F)CCCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000826478089 609440783 /nfs/dbraw/zinc/44/07/83/609440783.db2.gz UDAJVZJHGKZBBX-LBPRGKRZSA-N -1 3 371.388 3.048 20 0 FGADHM O=C1[C@@H](SCCC(F)(F)F)CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826478089 609440785 /nfs/dbraw/zinc/44/07/85/609440785.db2.gz UDAJVZJHGKZBBX-LBPRGKRZSA-N -1 3 371.388 3.048 20 0 FGADHM Cc1noc([C@@H](C)Sc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)n1 ZINC000826338548 609451060 /nfs/dbraw/zinc/45/10/60/609451060.db2.gz ZMPVMQGKROLGMK-ZCFIWIBFSA-N -1 3 356.333 3.430 20 0 FGADHM Cc1noc([C@@H](C)Sc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)n1 ZINC000826338548 609451061 /nfs/dbraw/zinc/45/10/61/609451061.db2.gz ZMPVMQGKROLGMK-ZCFIWIBFSA-N -1 3 356.333 3.430 20 0 FGADHM Cc1ccc(-c2nc(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)sc2C)s1 ZINC000826273619 609456932 /nfs/dbraw/zinc/45/69/32/609456932.db2.gz MZKGQZMRPUPHGN-UHFFFAOYSA-N -1 3 371.451 3.249 20 0 FGADHM Cc1ccc(-c2nc(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)sc2C)s1 ZINC000826273619 609456934 /nfs/dbraw/zinc/45/69/34/609456934.db2.gz MZKGQZMRPUPHGN-UHFFFAOYSA-N -1 3 371.451 3.249 20 0 FGADHM Cc1c(CNc2cccc(-c3nnn[n-]3)c2)sc2nc(C)nc(C)c12 ZINC000826324600 609474695 /nfs/dbraw/zinc/47/46/95/609474695.db2.gz XLWYMTVUOAKADT-UHFFFAOYSA-N -1 3 351.439 3.409 20 0 FGADHM Cc1c(CNc2cccc(-c3nn[n-]n3)c2)sc2nc(C)nc(C)c12 ZINC000826324600 609474697 /nfs/dbraw/zinc/47/46/97/609474697.db2.gz XLWYMTVUOAKADT-UHFFFAOYSA-N -1 3 351.439 3.409 20 0 FGADHM CCN(C(=O)c1c(C)noc1C1CC1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825376802 609479887 /nfs/dbraw/zinc/47/98/87/609479887.db2.gz NZAGNMULNSXQFZ-GFCCVEGCSA-N -1 3 366.425 3.264 20 0 FGADHM CCN(C(=O)c1c(C)noc1C1CC1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825376802 609479889 /nfs/dbraw/zinc/47/98/89/609479889.db2.gz NZAGNMULNSXQFZ-GFCCVEGCSA-N -1 3 366.425 3.264 20 0 FGADHM Cc1cccn2c(CNc3cc(-c4nn[n-]n4)ccc3OC(C)C)cnc12 ZINC000826308375 609480452 /nfs/dbraw/zinc/48/04/52/609480452.db2.gz WPVLVXRHQMTFIS-UHFFFAOYSA-N -1 3 363.425 3.222 20 0 FGADHM COc1ccc(CNc2cccc(-c3nnn[n-]3)c2C)cc1OC(F)F ZINC000826204055 609485816 /nfs/dbraw/zinc/48/58/16/609485816.db2.gz VBTAKKGJAIVZSK-UHFFFAOYSA-N -1 3 361.352 3.397 20 0 FGADHM COc1ccc(CNc2cccc(-c3nn[n-]n3)c2C)cc1OC(F)F ZINC000826204055 609485818 /nfs/dbraw/zinc/48/58/18/609485818.db2.gz VBTAKKGJAIVZSK-UHFFFAOYSA-N -1 3 361.352 3.397 20 0 FGADHM CCOC(=O)Nc1ccc(NCc2ccc(F)c(F)c2)cc1-c1nnn[n-]1 ZINC000825553387 609490893 /nfs/dbraw/zinc/49/08/93/609490893.db2.gz PLXVRDLDGFRGCP-UHFFFAOYSA-N -1 3 374.351 3.325 20 0 FGADHM CCOC(=O)Nc1ccc(NCc2ccc(F)c(F)c2)cc1-c1nn[n-]n1 ZINC000825553387 609490896 /nfs/dbraw/zinc/49/08/96/609490896.db2.gz PLXVRDLDGFRGCP-UHFFFAOYSA-N -1 3 374.351 3.325 20 0 FGADHM Cc1cc(C(=O)Nc2ccc(C)cc2C)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826291056 609505012 /nfs/dbraw/zinc/50/50/12/609505012.db2.gz NFGICJNQULJTMG-UHFFFAOYSA-N -1 3 373.420 3.230 20 0 FGADHM Cc1cc(C(=O)Nc2ccc(C)cc2C)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826291056 609505014 /nfs/dbraw/zinc/50/50/14/609505014.db2.gz NFGICJNQULJTMG-UHFFFAOYSA-N -1 3 373.420 3.230 20 0 FGADHM Cc1cc(C(=O)Nc2cc(C)ccc2C)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826285039 609505111 /nfs/dbraw/zinc/50/51/11/609505111.db2.gz ODIXWKCSZVNLMR-UHFFFAOYSA-N -1 3 373.420 3.230 20 0 FGADHM Cc1cc(C(=O)Nc2cc(C)ccc2C)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826285039 609505112 /nfs/dbraw/zinc/50/51/12/609505112.db2.gz ODIXWKCSZVNLMR-UHFFFAOYSA-N -1 3 373.420 3.230 20 0 FGADHM C[C@@H]1CCC[C@@H]1C(=O)Nc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000824925556 609512071 /nfs/dbraw/zinc/51/20/71/609512071.db2.gz FDHOXXBOEIDPBJ-PWSUYJOCSA-N -1 3 371.832 3.081 20 0 FGADHM Cc1ccc(C(F)(F)C(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826284527 609523093 /nfs/dbraw/zinc/52/30/93/609523093.db2.gz WMISUFJGVJPODO-LBPRGKRZSA-N -1 3 357.364 3.144 20 0 FGADHM Cc1ccc(C(F)(F)C(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826284527 609523096 /nfs/dbraw/zinc/52/30/96/609523096.db2.gz WMISUFJGVJPODO-LBPRGKRZSA-N -1 3 357.364 3.144 20 0 FGADHM Cc1ccnc(N(C)Cc2ccc(OC(F)(F)F)cc2)c1-c1nnn[n-]1 ZINC000826309452 609529779 /nfs/dbraw/zinc/52/97/79/609529779.db2.gz PIWMIPTXEMLNQX-UHFFFAOYSA-N -1 3 364.331 3.105 20 0 FGADHM Cc1ccnc(N(C)Cc2ccc(OC(F)(F)F)cc2)c1-c1nn[n-]n1 ZINC000826309452 609529780 /nfs/dbraw/zinc/52/97/80/609529780.db2.gz PIWMIPTXEMLNQX-UHFFFAOYSA-N -1 3 364.331 3.105 20 0 FGADHM CCC[C@@H]1C[C@@H](C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(C)C)CCO1 ZINC000825255166 609532830 /nfs/dbraw/zinc/53/28/30/609532830.db2.gz VZPLINNMAPVTRT-LSDHHAIUSA-N -1 3 373.457 3.188 20 0 FGADHM CCC[C@@H]1C[C@@H](C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(C)C)CCO1 ZINC000825255166 609532831 /nfs/dbraw/zinc/53/28/31/609532831.db2.gz VZPLINNMAPVTRT-LSDHHAIUSA-N -1 3 373.457 3.188 20 0 FGADHM CN(C(=O)c1ccc([C@@H]2CCCOC2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000825829608 609536536 /nfs/dbraw/zinc/53/65/36/609536536.db2.gz HFCVIBYIYISKJI-QGZVFWFLSA-N -1 3 363.421 3.037 20 0 FGADHM CN(C(=O)c1ccc([C@@H]2CCCOC2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000825829608 609536537 /nfs/dbraw/zinc/53/65/37/609536537.db2.gz HFCVIBYIYISKJI-QGZVFWFLSA-N -1 3 363.421 3.037 20 0 FGADHM Cc1c(Cl)cnc(NCc2cc(-c3ccccc3)on2)c1-c1nnn[n-]1 ZINC000826240153 609545451 /nfs/dbraw/zinc/54/54/51/609545451.db2.gz GAEPPJBYEFBXMB-UHFFFAOYSA-N -1 3 367.800 3.491 20 0 FGADHM Cc1c(Cl)cnc(NCc2cc(-c3ccccc3)on2)c1-c1nn[n-]n1 ZINC000826240153 609545453 /nfs/dbraw/zinc/54/54/53/609545453.db2.gz GAEPPJBYEFBXMB-UHFFFAOYSA-N -1 3 367.800 3.491 20 0 FGADHM Cc1ccnc(NCc2cccc(COC(C)(C)C)c2)c1-c1nnn[n-]1 ZINC000826314451 609546132 /nfs/dbraw/zinc/54/61/32/609546132.db2.gz XCXVYZGFDYJSCN-UHFFFAOYSA-N -1 3 352.442 3.497 20 0 FGADHM Cc1ccnc(NCc2cccc(COC(C)(C)C)c2)c1-c1nn[n-]n1 ZINC000826314451 609546133 /nfs/dbraw/zinc/54/61/33/609546133.db2.gz XCXVYZGFDYJSCN-UHFFFAOYSA-N -1 3 352.442 3.497 20 0 FGADHM Cc1c(Cl)cnc(NCc2cc(=O)[nH]c3ccccc23)c1-c1nnn[n-]1 ZINC000826240413 609559914 /nfs/dbraw/zinc/55/99/14/609559914.db2.gz REEMOZVZIWTNIQ-UHFFFAOYSA-N -1 3 367.800 3.089 20 0 FGADHM Cc1c(Cl)cnc(NCc2cc(=O)[nH]c3ccccc23)c1-c1nn[n-]n1 ZINC000826240413 609559915 /nfs/dbraw/zinc/55/99/15/609559915.db2.gz REEMOZVZIWTNIQ-UHFFFAOYSA-N -1 3 367.800 3.089 20 0 FGADHM Fc1ccc(-c2nnn[n-]2)cc1CNc1nnc(Cc2ccccc2)s1 ZINC000826373389 609562211 /nfs/dbraw/zinc/56/22/11/609562211.db2.gz KGZKGSWUGFJMEP-UHFFFAOYSA-N -1 3 367.413 3.060 20 0 FGADHM Fc1ccc(-c2nn[n-]n2)cc1CNc1nnc(Cc2ccccc2)s1 ZINC000826373389 609562214 /nfs/dbraw/zinc/56/22/14/609562214.db2.gz KGZKGSWUGFJMEP-UHFFFAOYSA-N -1 3 367.413 3.060 20 0 FGADHM Cc1cc(Nc2ccc(-c3nnn[n-]3)nc2)cnc1N1CCCC[C@H]1C ZINC000826271584 609563495 /nfs/dbraw/zinc/56/34/95/609563495.db2.gz XVNCZICEYPFWAD-CYBMUJFWSA-N -1 3 350.430 3.088 20 0 FGADHM Cc1cc(Nc2ccc(-c3nn[n-]n3)nc2)cnc1N1CCCC[C@H]1C ZINC000826271584 609563497 /nfs/dbraw/zinc/56/34/97/609563497.db2.gz XVNCZICEYPFWAD-CYBMUJFWSA-N -1 3 350.430 3.088 20 0 FGADHM Cc1c(Cl)cnc(NC[C@H](c2cccnc2)C(C)C)c1-c1nnn[n-]1 ZINC000826239824 609572355 /nfs/dbraw/zinc/57/23/55/609572355.db2.gz RFSGHKLCXXKMPK-ZDUSSCGKSA-N -1 3 357.849 3.470 20 0 FGADHM Cc1c(Cl)cnc(NC[C@H](c2cccnc2)C(C)C)c1-c1nn[n-]n1 ZINC000826239824 609572358 /nfs/dbraw/zinc/57/23/58/609572358.db2.gz RFSGHKLCXXKMPK-ZDUSSCGKSA-N -1 3 357.849 3.470 20 0 FGADHM CCO[C@H]1C[C@@H](N(C)c2ncc(Cl)c(C)c2-c2nnn[n-]2)C12CCC2 ZINC000825582386 609576630 /nfs/dbraw/zinc/57/66/30/609576630.db2.gz KKZRFRJNXGKGLC-OLZOCXBDSA-N -1 3 362.865 3.007 20 0 FGADHM CCO[C@H]1C[C@@H](N(C)c2ncc(Cl)c(C)c2-c2nn[n-]n2)C12CCC2 ZINC000825582386 609576631 /nfs/dbraw/zinc/57/66/31/609576631.db2.gz KKZRFRJNXGKGLC-OLZOCXBDSA-N -1 3 362.865 3.007 20 0 FGADHM Cc1c(Cl)cnc(N2CCC[C@H]2CC(=O)c2ccco2)c1-c1nnn[n-]1 ZINC000826237669 609585817 /nfs/dbraw/zinc/58/58/17/609585817.db2.gz IAHXRXVTISGRGL-NSHDSACASA-N -1 3 372.816 3.058 20 0 FGADHM Cc1c(Cl)cnc(N2CCC[C@H]2CC(=O)c2ccco2)c1-c1nn[n-]n1 ZINC000826237669 609585821 /nfs/dbraw/zinc/58/58/21/609585821.db2.gz IAHXRXVTISGRGL-NSHDSACASA-N -1 3 372.816 3.058 20 0 FGADHM C[C@@](NC(=O)c1cc(-c2nnn[n-]2)cs1)(c1ccccc1)C(F)(F)F ZINC000824513755 609604518 /nfs/dbraw/zinc/60/45/18/609604518.db2.gz HPNYYSJBFRXIBU-CQSZACIVSA-N -1 3 367.356 3.136 20 0 FGADHM C[C@@](NC(=O)c1cc(-c2nn[n-]n2)cs1)(c1ccccc1)C(F)(F)F ZINC000824513755 609604519 /nfs/dbraw/zinc/60/45/19/609604519.db2.gz HPNYYSJBFRXIBU-CQSZACIVSA-N -1 3 367.356 3.136 20 0 FGADHM C[C@H]1CC[C@H](C(F)(F)F)CN1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000824907731 609606701 /nfs/dbraw/zinc/60/67/01/609606701.db2.gz JRVHYLJDDXFYRU-ONGXEEELSA-N -1 3 354.336 3.061 20 0 FGADHM C[C@H]1CC[C@H](C(F)(F)F)CN1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000824907731 609606703 /nfs/dbraw/zinc/60/67/03/609606703.db2.gz JRVHYLJDDXFYRU-ONGXEEELSA-N -1 3 354.336 3.061 20 0 FGADHM CCC(CC)n1ccc(C(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000825115211 609614214 /nfs/dbraw/zinc/61/42/14/609614214.db2.gz VMVROZWANYQSFS-UHFFFAOYSA-N -1 3 374.832 3.435 20 0 FGADHM CCC(CC)n1ccc(C(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000825115211 609614215 /nfs/dbraw/zinc/61/42/15/609614215.db2.gz VMVROZWANYQSFS-UHFFFAOYSA-N -1 3 374.832 3.435 20 0 FGADHM CC(C)C[C@@H](C)OCCC(=O)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000824229839 609614494 /nfs/dbraw/zinc/61/44/94/609614494.db2.gz VSVZPOMDQDBWTF-GFCCVEGCSA-N -1 3 366.849 3.405 20 0 FGADHM CC(C)C[C@@H](C)OCCC(=O)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000824229839 609614496 /nfs/dbraw/zinc/61/44/96/609614496.db2.gz VSVZPOMDQDBWTF-GFCCVEGCSA-N -1 3 366.849 3.405 20 0 FGADHM O=C(OCc1ccc(Cl)cc1-c1nnn[n-]1)C1(c2ccccc2F)CC1 ZINC000826465664 609615366 /nfs/dbraw/zinc/61/53/66/609615366.db2.gz WQWAPRBFBCXYRY-UHFFFAOYSA-N -1 3 372.787 3.434 20 0 FGADHM O=C(OCc1ccc(Cl)cc1-c1nn[n-]n1)C1(c2ccccc2F)CC1 ZINC000826465664 609615367 /nfs/dbraw/zinc/61/53/67/609615367.db2.gz WQWAPRBFBCXYRY-UHFFFAOYSA-N -1 3 372.787 3.434 20 0 FGADHM Cc1cc(C(=O)OCc2ccc(C)cc2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826288334 609627352 /nfs/dbraw/zinc/62/73/52/609627352.db2.gz BOAXFOZMDCPEIJ-UHFFFAOYSA-N -1 3 374.404 3.026 20 0 FGADHM Cc1cc(C(=O)OCc2ccc(C)cc2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826288334 609627353 /nfs/dbraw/zinc/62/73/53/609627353.db2.gz BOAXFOZMDCPEIJ-UHFFFAOYSA-N -1 3 374.404 3.026 20 0 FGADHM Cc1ccc2[nH]cc(C(=O)OCc3ccc(-c4nnn[n-]4)cc3F)c2c1 ZINC000826293263 609642076 /nfs/dbraw/zinc/64/20/76/609642076.db2.gz IOAYUQKYNVFSQP-UHFFFAOYSA-N -1 3 351.341 3.153 20 0 FGADHM Cc1ccc2[nH]cc(C(=O)OCc3ccc(-c4nn[n-]n4)cc3F)c2c1 ZINC000826293263 609642078 /nfs/dbraw/zinc/64/20/78/609642078.db2.gz IOAYUQKYNVFSQP-UHFFFAOYSA-N -1 3 351.341 3.153 20 0 FGADHM C[C@@H]1CCc2sc(C(=O)OCC(=O)[N-]C(=O)c3cccs3)cc2C1 ZINC000007090313 695562744 /nfs/dbraw/zinc/56/27/44/695562744.db2.gz XMGGMLPYJPPNPH-SNVBAGLBSA-N -1 3 363.460 3.048 20 0 FGADHM O=C(COC(=O)c1cc(Cl)ccc1Cl)[N-]C(=O)c1cccs1 ZINC000007123567 695563394 /nfs/dbraw/zinc/56/33/94/695563394.db2.gz PKNITUIKXOEGKT-UHFFFAOYSA-N -1 3 358.202 3.168 20 0 FGADHM Cc1ccc(CNC(=O)[C@@H](C)OC(=O)c2cc(Cl)c(Cl)[n-]2)cc1 ZINC000011810642 695602829 /nfs/dbraw/zinc/60/28/29/695602829.db2.gz QKGXEXFZBNDDGF-SNVBAGLBSA-N -1 3 355.221 3.492 20 0 FGADHM O=C([N-]NC(=O)c1ccc2nccnc2c1)c1ccc(Cl)cc1Cl ZINC000015621418 695620232 /nfs/dbraw/zinc/62/02/32/695620232.db2.gz IIJOZFIRTHXWAD-UHFFFAOYSA-N -1 3 361.188 3.011 20 0 FGADHM O=C(CSc1ccc(Cl)cc1)N[N-]C(=O)c1ccc2ccccc2n1 ZINC000015901672 695622708 /nfs/dbraw/zinc/62/27/08/695622708.db2.gz QVGWGQWLHKMTCE-UHFFFAOYSA-N -1 3 371.849 3.442 20 0 FGADHM COc1ccc(C(=O)COC(=O)c2cc(Cl)c(Cl)[n-]2)c(OC)c1 ZINC000021730179 695647446 /nfs/dbraw/zinc/64/74/46/695647446.db2.gz OYAJRUADCNPPIC-UHFFFAOYSA-N -1 3 358.177 3.378 20 0 FGADHM CCCC[N-]S(=O)(=O)c1cc(Cl)cc(Br)c1OC ZINC000024231909 695666704 /nfs/dbraw/zinc/66/67/04/695666704.db2.gz WVSBIABHPOGNIX-UHFFFAOYSA-N -1 3 356.669 3.190 20 0 FGADHM O=C(Nc1ccccc1Cl)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000024484375 695668069 /nfs/dbraw/zinc/66/80/69/695668069.db2.gz VMXLWTZARCXLMZ-UHFFFAOYSA-N -1 3 368.817 3.172 20 0 FGADHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)OC)c2)cc1 ZINC000029047861 695708639 /nfs/dbraw/zinc/70/86/39/695708639.db2.gz OKFNWAIQSLSUDU-UHFFFAOYSA-N -1 3 367.398 3.202 20 0 FGADHM O=C1[N-]C(=O)/C(=C/c2cc(Cl)c3c(c2)OCCCO3)c2ccccc21 ZINC000030058224 695719189 /nfs/dbraw/zinc/71/91/89/695719189.db2.gz LBTXKXMUMQBPJA-RIYZIHGNSA-N -1 3 355.777 3.312 20 0 FGADHM C[C@H]1C[C@H]1CNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000032394218 695743254 /nfs/dbraw/zinc/74/32/54/695743254.db2.gz NJNDLSXPPFUROB-JSGCOSHPSA-N -1 3 362.426 3.012 20 0 FGADHM C[C@@H]1CCC[C@H](NC(=O)N[N-]C(=O)c2ccccc2Br)[C@@H]1C ZINC000043043435 695788648 /nfs/dbraw/zinc/78/86/48/695788648.db2.gz FORWOQXBVILGGV-GYSYKLTISA-N -1 3 368.275 3.218 20 0 FGADHM C=C(C)CNC(=S)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000044232623 695806078 /nfs/dbraw/zinc/80/60/78/695806078.db2.gz CUUAAJLCKLPLCA-UHFFFAOYSA-N -1 3 367.902 3.147 20 0 FGADHM O=C(CCOc1cccc(Cl)c1Cl)N[N-]C(=O)c1ccccc1F ZINC000044279291 695807091 /nfs/dbraw/zinc/80/70/91/695807091.db2.gz MLYXIEHEJBEOBZ-UHFFFAOYSA-N -1 3 371.195 3.363 20 0 FGADHM O=C(CCCOc1ccccc1Br)Nc1ncccc1[O-] ZINC000044948900 695814261 /nfs/dbraw/zinc/81/42/61/695814261.db2.gz JGJRLHKXCTUBNL-UHFFFAOYSA-N -1 3 351.200 3.347 20 0 FGADHM Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])s1 ZINC000054260765 695938499 /nfs/dbraw/zinc/93/84/99/695938499.db2.gz BQYZXMWPTKKVRR-HIFRSBDPSA-N -1 3 358.463 3.244 20 0 FGADHM CCC(C)(C)CC(=O)N[N-]C(=O)c1cc(OC)ccc1Br ZINC000073076656 695965588 /nfs/dbraw/zinc/96/55/88/695965588.db2.gz FRJDKXCKGMOGAF-UHFFFAOYSA-N -1 3 357.248 3.045 20 0 FGADHM 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ZINC000629123878 716219943 /nfs/dbraw/zinc/21/99/43/716219943.db2.gz LJZZHNKAUSDCCM-UHFFFAOYSA-N -1 3 350.484 3.407 20 0 FGADHM Cn1ncc2c1nc(SCCCOc1ccc(Cl)cc1)[n-]c2=O ZINC000629217775 716238118 /nfs/dbraw/zinc/23/81/18/716238118.db2.gz LRGQCQFXJVINRC-UHFFFAOYSA-N -1 3 350.831 3.284 20 0 FGADHM CCO[C@H](CS(=O)(=O)[N-]c1cc(C)ccc1-n1cc(C)cn1)C1CC1 ZINC000629290011 716253537 /nfs/dbraw/zinc/25/35/37/716253537.db2.gz PELMQLSXRULRLS-GOSISDBHSA-N -1 3 363.483 3.046 20 0 FGADHM CO[C@H](Cc1ccc(F)cc1)CS(=O)(=O)[N-]c1cccc(F)c1C ZINC000629289075 716253792 /nfs/dbraw/zinc/25/37/92/716253792.db2.gz CJDYROBKZJRCSI-OAHLLOKOSA-N -1 3 355.406 3.273 20 0 FGADHM CC(C)(C)c1ncc([N-]S(=O)(=O)CCc2c(F)cccc2F)cn1 ZINC000629290285 716254431 /nfs/dbraw/zinc/25/44/31/716254431.db2.gz XSIYURWHTQZSFG-UHFFFAOYSA-N -1 3 355.410 3.037 20 0 FGADHM CO[C@H](Cc1ccc(F)cc1)CS(=O)(=O)[N-]c1cncc(Cl)c1C ZINC000629302779 716257885 /nfs/dbraw/zinc/25/78/85/716257885.db2.gz GAMPERWEQAYONL-CQSZACIVSA-N -1 3 372.849 3.182 20 0 FGADHM CO[C@@H](Cc1ccccc1)CS(=O)(=O)[N-]c1ccc2[nH]cc(C)c2c1 ZINC000629313973 716259642 /nfs/dbraw/zinc/25/96/42/716259642.db2.gz GQIQXUSLPPPSIQ-KRWDZBQOSA-N -1 3 358.463 3.476 20 0 FGADHM CC(C)(C)c1c[n-]c(S(=O)(=O)CCC(=O)Nc2ccccc2Cl)n1 ZINC000630435918 716450255 /nfs/dbraw/zinc/45/02/55/716450255.db2.gz RRYZPYQCXGUNGS-UHFFFAOYSA-N -1 3 369.874 3.163 20 0 FGADHM CC(C)c1c[n-]c(S(=O)(=O)[C@H](C)C(=O)Nc2ccc(F)cc2Cl)n1 ZINC000630433009 716450461 /nfs/dbraw/zinc/45/04/61/716450461.db2.gz ZKPRAMGPOYRIII-SECBINFHSA-N -1 3 373.837 3.127 20 0 FGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2sc(C)cc2C)cc1OC ZINC000630788868 716507585 /nfs/dbraw/zinc/50/75/85/716507585.db2.gz NXDXGCBYJWNMDC-UHFFFAOYSA-N -1 3 368.480 3.387 20 0 FGADHM COc1ccc2c(CC(=O)Nc3nnc(C(F)(F)F)[n-]3)coc2c1C ZINC000630803904 716510841 /nfs/dbraw/zinc/51/08/41/716510841.db2.gz WVBIPRHUZYKDHT-UHFFFAOYSA-N -1 3 354.288 3.068 20 0 FGADHM COc1ccc2c(CC(=O)Nc3nc(C(F)(F)F)n[n-]3)coc2c1C ZINC000630803904 716510845 /nfs/dbraw/zinc/51/08/45/716510845.db2.gz WVBIPRHUZYKDHT-UHFFFAOYSA-N -1 3 354.288 3.068 20 0 FGADHM C[C@@H](C[N-]S(=O)(=O)c1ccc(C(F)F)o1)N(C)Cc1ccccc1 ZINC000631940331 716700475 /nfs/dbraw/zinc/70/04/75/716700475.db2.gz TUKVZBTXISHIQB-LBPRGKRZSA-N -1 3 358.410 3.016 20 0 FGADHM O=c1[nH]cc(S(=O)(=O)[N-]CC2(c3cccs3)CCCCC2)s1 ZINC000632016026 716707143 /nfs/dbraw/zinc/70/71/43/716707143.db2.gz DPRHTOISQKNYSY-UHFFFAOYSA-N -1 3 358.510 3.091 20 0 FGADHM Cc1nocc1C[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000632397604 716769949 /nfs/dbraw/zinc/76/99/49/716769949.db2.gz DKQLNRPCSKZUKI-UHFFFAOYSA-N -1 3 354.737 3.134 20 0 FGADHM COCc1ccccc1CS(=O)(=O)[N-]c1c(Cl)cccc1OC ZINC000634664164 717104127 /nfs/dbraw/zinc/10/41/27/717104127.db2.gz QWOPVAWCHYXANK-UHFFFAOYSA-N -1 3 355.843 3.437 20 0 FGADHM Cc1cc(Br)cc(C(=O)NC(C)(C)c2nc(C)cc(=O)[n-]2)c1 ZINC000636110765 717232430 /nfs/dbraw/zinc/23/24/30/717232430.db2.gz MAPAUUNCJKSTAM-UHFFFAOYSA-N -1 3 364.243 3.227 20 0 FGADHM COc1ccc(S[C@@H](C)C(=O)NC(C)(C)c2nc(C)cc(=O)[n-]2)cc1 ZINC000636115763 717233668 /nfs/dbraw/zinc/23/36/68/717233668.db2.gz UHPICOBLPZAHGO-LBPRGKRZSA-N -1 3 361.467 3.031 20 0 FGADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)c2cc(F)cc(C(F)(F)F)c2)n1 ZINC000636114987 717234059 /nfs/dbraw/zinc/23/40/59/717234059.db2.gz LRHSDBYDKGPNDI-UHFFFAOYSA-N -1 3 357.307 3.314 20 0 FGADHM O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)c1cccc(C(F)(F)F)c1 ZINC000636317515 717261836 /nfs/dbraw/zinc/26/18/36/717261836.db2.gz HLKFCMDDLYSJSA-UHFFFAOYSA-N -1 3 351.328 3.399 20 0 FGADHM O=C(CSc1ccc(F)c(F)c1)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000636317921 717261892 /nfs/dbraw/zinc/26/18/92/717261892.db2.gz LRRVJGWPRPNQCT-UHFFFAOYSA-N -1 3 365.405 3.136 20 0 FGADHM O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000636319505 717262831 /nfs/dbraw/zinc/26/28/31/717262831.db2.gz TUSZSPYFUTVLAA-NWDGAFQWSA-N -1 3 357.376 3.435 20 0 FGADHM O=c1cc(CN[C@H](CCO)c2ccc(Cl)c(F)c2)nc(C2CC2)[n-]1 ZINC000639919269 717628705 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O=C(Nc1ncc(CCO)s1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000646230828 718271397 /nfs/dbraw/zinc/27/13/97/718271397.db2.gz IAERPLPUEOQJIJ-UHFFFAOYSA-N -1 3 354.431 3.227 20 0 FGADHM COc1ccc(CNC(=O)c2cc([O-])cc(C(F)(F)F)c2)cc1OC ZINC000646559299 718297325 /nfs/dbraw/zinc/29/73/25/718297325.db2.gz GTCGKRZQSYFHKO-UHFFFAOYSA-N -1 3 355.312 3.358 20 0 FGADHM CO[C@@H](CS(=O)(=O)[N-]c1cccc(OCC(F)(F)F)c1)C(C)C ZINC000647123994 718332585 /nfs/dbraw/zinc/33/25/85/718332585.db2.gz JBEQYQLPXMWOAA-ZDUSSCGKSA-N -1 3 355.378 3.040 20 0 FGADHM CO[C@@H](CS(=O)(=O)[N-]c1cccc(OCc2cccnc2)c1)C(C)C ZINC000647124432 718332637 /nfs/dbraw/zinc/33/26/37/718332637.db2.gz GLJIOKSDLNBOIZ-SFHVURJKSA-N -1 3 364.467 3.073 20 0 FGADHM CO[C@@H](CS(=O)(=O)[N-]c1cccc(C(=O)c2ccccc2)c1)C(C)C ZINC000647126396 718333134 /nfs/dbraw/zinc/33/31/34/718333134.db2.gz WIRYDYARZKSGAL-SFHVURJKSA-N -1 3 361.463 3.330 20 0 FGADHM CO[C@H](CS(=O)(=O)[N-]c1ccc2oc(C)c(C)c2c1)C1CCOCC1 ZINC000647130502 718334245 /nfs/dbraw/zinc/33/42/45/718334245.db2.gz DLESJSNEIZZBFA-GOSISDBHSA-N -1 3 367.467 3.233 20 0 FGADHM COc1cccc(C[N-]S(=O)(=O)c2csnc2-c2ccccc2)c1 ZINC000647890205 718383608 /nfs/dbraw/zinc/38/36/08/718383608.db2.gz AJQHWCSDMGFMCL-UHFFFAOYSA-N -1 3 360.460 3.297 20 0 FGADHM CC1(C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3c(O)cccc3Cl)cc21 ZINC000647919323 718387099 /nfs/dbraw/zinc/38/70/99/718387099.db2.gz XBFGZOPHETXPSM-UHFFFAOYSA-N -1 3 366.826 3.076 20 0 FGADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)c1cnc(C2CC2)s1 ZINC000648432774 718426284 /nfs/dbraw/zinc/42/62/84/718426284.db2.gz HYQVDLYJAMUCCH-UHFFFAOYSA-N -1 3 350.753 3.107 20 0 FGADHM CC(=O)c1csc(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)c1 ZINC000648433385 718426577 /nfs/dbraw/zinc/42/65/77/718426577.db2.gz ZZXORYVSBWNULX-UHFFFAOYSA-N -1 3 351.737 3.037 20 0 FGADHM Cc1cc(C)c2ncc(C(=O)[O-])c(N3CCC(F)(F)[C@@H](CO)C3)c2c1 ZINC000649396698 718511311 /nfs/dbraw/zinc/51/13/11/718511311.db2.gz JJMPFDSDBLRGBW-GFCCVEGCSA-N -1 3 350.365 3.004 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)Cc1ccc(Cl)cc1)c1nc(C(C)(C)C)no1 ZINC000651584386 718835766 /nfs/dbraw/zinc/83/57/66/718835766.db2.gz LCUAVGDONRRCIT-SNVBAGLBSA-N -1 3 357.863 3.201 20 0 FGADHM CSc1ccccc1COC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000781220207 724540747 /nfs/dbraw/zinc/54/07/47/724540747.db2.gz CLDIJUQTGOQNPQ-UHFFFAOYSA-N -1 3 351.449 3.137 20 0 FGADHM CO[C@@H](CC(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1)C(F)(F)F ZINC000653025117 719002658 /nfs/dbraw/zinc/00/26/58/719002658.db2.gz XCJGJZGHYOGTIG-NSHDSACASA-N -1 3 354.288 3.124 20 0 FGADHM Cc1nn(-c2ccccc2Cl)cc1CN[C@@H](COC(C)(C)C)C(=O)[O-] ZINC000653504176 719049510 /nfs/dbraw/zinc/04/95/10/719049510.db2.gz KARFSGOVJMWUAP-HNNXBMFYSA-N -1 3 365.861 3.192 20 0 FGADHM CC(C)(CC(=O)[O-])NCc1cc(OC(F)F)ccc1Br ZINC000653505456 719049854 /nfs/dbraw/zinc/04/98/54/719049854.db2.gz PESFGGSNFARTFO-UHFFFAOYSA-N -1 3 352.175 3.393 20 0 FGADHM Cc1noc(C)c1C(C)(C)[N-]C(=O)C(F)(F)Oc1ccc(C=O)cc1 ZINC000804865148 724559154 /nfs/dbraw/zinc/55/91/54/724559154.db2.gz UDIYXJLHUVMEEM-UHFFFAOYSA-N -1 3 352.337 3.127 20 0 FGADHM CC1CCN([C@H](CNC(=O)CCCCC(=O)[O-])c2cccs2)CC1 ZINC000655550027 719303778 /nfs/dbraw/zinc/30/37/78/719303778.db2.gz IOKCRQYCNAQXLL-OAHLLOKOSA-N -1 3 352.500 3.282 20 0 FGADHM Cc1cc(S(=O)(=O)[N-][C@H](C[C@@H]2CCCO2)C(F)(F)F)ccc1Cl ZINC000655662939 719321441 /nfs/dbraw/zinc/32/14/41/719321441.db2.gz YQRKKWSGHYQXNG-GXFFZTMASA-N -1 3 371.808 3.427 20 0 FGADHM O=S(=O)(CC12CCC(CC1)C2)[N-][C@@H](Cc1ccccc1)c1ncco1 ZINC000655677534 719324627 /nfs/dbraw/zinc/32/46/27/719324627.db2.gz RGNZVSSQOVLWMP-HFCFLWKCSA-N -1 3 360.479 3.458 20 0 FGADHM CO[C@H](CS(=O)(=O)[N-]c1c2c(ccc1Cl)OCC2)C1CCCC1 ZINC000656738637 719459752 /nfs/dbraw/zinc/45/97/52/719459752.db2.gz SFCMIUJXVOLAAE-OAHLLOKOSA-N -1 3 359.875 3.222 20 0 FGADHM CC1CCN([C@H](CNC(=O)[C@]2(C(=O)[O-])CC2(C)C)c2cccs2)CC1 ZINC000656847306 719482860 /nfs/dbraw/zinc/48/28/60/719482860.db2.gz FJVIXBZFLLFMHX-KUHUBIRLSA-N -1 3 364.511 3.138 20 0 FGADHM COC[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)c1cccc(OC)c1 ZINC000657109864 719565047 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360.468 3.070 20 0 FGADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1Br)c1ccsc1 ZINC000826464754 729408043 /nfs/dbraw/zinc/40/80/43/729408043.db2.gz LCEQAXSTQQSEHF-UHFFFAOYSA-N -1 3 365.212 3.048 20 0 FGADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1Br)c1ccsc1 ZINC000826464754 729408044 /nfs/dbraw/zinc/40/80/44/729408044.db2.gz LCEQAXSTQQSEHF-UHFFFAOYSA-N -1 3 365.212 3.048 20 0 FGADHM O=C(Nc1nc(-c2ccc[nH]2)cs1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826459312 729408181 /nfs/dbraw/zinc/40/81/81/729408181.db2.gz FJPGYDXPHIMNHV-UHFFFAOYSA-N -1 3 371.813 3.224 20 0 FGADHM O=C(Nc1nc(-c2ccc[nH]2)cs1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826459312 729408182 /nfs/dbraw/zinc/40/81/82/729408182.db2.gz FJPGYDXPHIMNHV-UHFFFAOYSA-N -1 3 371.813 3.224 20 0 FGADHM O=C1Nc2c(cccc2Br)C1=Cc1ccc(-c2nnn[n-]2)cc1 ZINC000826482560 729408467 /nfs/dbraw/zinc/40/84/67/729408467.db2.gz JDKJPYOPQAAYIT-XYOKQWHBSA-N -1 3 368.194 3.122 20 0 FGADHM O=C1Nc2c(cccc2Br)C1=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826482560 729408468 /nfs/dbraw/zinc/40/84/68/729408468.db2.gz 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COC(=O)c1sc(NC(=O)c2ccc(N)cc2[O-])nc1C1CCCC1 ZINC000832145803 729692474 /nfs/dbraw/zinc/69/24/74/729692474.db2.gz SVHQYMWCTLENID-UHFFFAOYSA-N -1 3 361.423 3.127 20 0 FGADHM CC[C@@H]([N-]C(=O)C(F)(F)c1ccccc1Br)[C@H](O)C(F)F ZINC000833669550 729749719 /nfs/dbraw/zinc/74/97/19/729749719.db2.gz IGUNPIDAAVYGOD-ZJUUUORDSA-N -1 3 372.156 3.062 20 0 FGADHM CC(C)[C@@H](CO)ON=C([O-])Nc1ncc(Cc2cc(F)cc(F)c2)s1 ZINC000836229678 729948777 /nfs/dbraw/zinc/94/87/77/729948777.db2.gz HNDKFEHLKCIJEA-CQSZACIVSA-N -1 3 371.409 3.082 20 0 FGADHM CC(C)[C@@H](CO)O[N-]C(=O)Nc1ncc(Cc2cc(F)cc(F)c2)s1 ZINC000836229678 729948778 /nfs/dbraw/zinc/94/87/78/729948778.db2.gz HNDKFEHLKCIJEA-CQSZACIVSA-N -1 3 371.409 3.082 20 0 FGADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1cccc(C)c1Br ZINC000836528237 729959389 /nfs/dbraw/zinc/95/93/89/729959389.db2.gz ZCJLMNFEMBXGAY-UHFFFAOYSA-N -1 3 359.220 3.152 20 0 FGADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1cccc(C)c1Br ZINC000836528237 729959390 /nfs/dbraw/zinc/95/93/90/729959390.db2.gz 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COc1ccc(C[NH2+][C@@H](CC(=O)[O-])C2CCCC2)c(Br)c1[O-] ZINC000904040434 743918150 /nfs/dbraw/zinc/91/81/50/743918150.db2.gz DGXUDAITWGWEKW-LBPRGKRZSA-N -1 3 372.259 3.286 20 0 FGADHM COC1([C@H](NCc2cc(Br)ccc2Cl)C(=O)[O-])CCC1 ZINC000904051877 743920148 /nfs/dbraw/zinc/92/01/48/743920148.db2.gz ZEILKTMKHWMERH-GFCCVEGCSA-N -1 3 362.651 3.214 20 0 FGADHM CCOc1cc(-c2noc([C@@H](N)CC3CC3)n2)cc(Br)c1[O-] ZINC000904108381 743929706 /nfs/dbraw/zinc/92/97/06/743929706.db2.gz SVEAWGXRZPETJD-NSHDSACASA-N -1 3 368.231 3.403 20 0 FGADHM CCO[C@H](c1noc([C@H](C)[N-]S(=O)(=O)c2ccc(C)cc2)n1)C(C)C ZINC000904112562 743930021 /nfs/dbraw/zinc/93/00/21/743930021.db2.gz BZDVSIDDAHUYCC-ZFWWWQNUSA-N -1 3 367.471 3.151 20 0 FGADHM O=C([O-])C1CCN(c2ccc(CN3CCC[C@@]4(CCSC4)C3)o2)CC1 ZINC000904246721 743941912 /nfs/dbraw/zinc/94/19/12/743941912.db2.gz SOWXSZIUWSAAQV-LJQANCHMSA-N -1 3 364.511 3.300 20 0 FGADHM CC1(C)CCC[C@@H](CNCc2ccc(N3CCC(C(=O)[O-])CC3)o2)O1 ZINC000904268617 743943303 /nfs/dbraw/zinc/94/33/03/743943303.db2.gz XAFUXVPZZKFXND-INIZCTEOSA-N -1 3 350.459 3.018 20 0 FGADHM Cc1ccc(CNCCc2ncc(C(=O)[O-])s2)c(Br)c1 ZINC000905736772 744049383 /nfs/dbraw/zinc/04/93/83/744049383.db2.gz CUSWSUJXFQZKKX-UHFFFAOYSA-N -1 3 355.257 3.245 20 0 FGADHM CCc1sc(C(=O)OC)cc1-c1ccc(S([O-])=CC(=O)OC)cc1 ZINC000906211154 744105054 /nfs/dbraw/zinc/10/50/54/744105054.db2.gz UVPZAJCVEHOZTC-DEOSSOPVSA-N -1 3 366.460 3.045 20 0 FGADHM C[C@@H]1CN(C(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)[C@@H](C)[C@H](C)O1 ZINC000907617737 744224756 /nfs/dbraw/zinc/22/47/56/744224756.db2.gz QOYGGZMDMJGKEQ-VWYCJHECSA-N -1 3 355.460 3.128 20 0 FGADHM CC[C@]1(C)CN(C(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)CCO1 ZINC000907625604 744225472 /nfs/dbraw/zinc/22/54/72/744225472.db2.gz FQPSQBQNEDQTBH-MRXNPFEDSA-N -1 3 355.460 3.131 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)c1cncs1 ZINC000907929715 744248232 /nfs/dbraw/zinc/24/82/32/744248232.db2.gz MCGPPILVEWJNCC-SSDOTTSWSA-N -1 3 370.349 3.220 20 0 FGADHM CC(C)(C)c1coc(C[N-]S(=O)(=O)c2ccc3ncsc3c2)n1 ZINC000907951196 744250600 /nfs/dbraw/zinc/25/06/00/744250600.db2.gz BSISISZEPSCCJK-UHFFFAOYSA-N -1 3 351.453 3.060 20 0 FGADHM COc1cccc([O-])c1C(=O)N1CCC(Oc2cncc(Cl)c2)CC1 ZINC000908312671 744278453 /nfs/dbraw/zinc/27/84/53/744278453.db2.gz BHEZQHOXKVGLNQ-UHFFFAOYSA-N -1 3 362.813 3.133 20 0 FGADHM C[C@H](c1ccc(Cl)cc1)N(C(=O)CN1CCC[C@H](C(=O)[O-])C1)C1CC1 ZINC000909402806 744361043 /nfs/dbraw/zinc/36/10/43/744361043.db2.gz DTCOTYWOMZUGCK-HIFRSBDPSA-N -1 3 364.873 3.189 20 0 FGADHM C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000909757387 744388661 /nfs/dbraw/zinc/38/86/61/744388661.db2.gz XIGWTHWTLYBEET-AGKHESDQSA-N -1 3 373.280 3.282 20 0 FGADHM Cc1n[nH]c(C)c1[C@@H](C)[N-]C(=O)C(F)(F)c1ncccc1Br ZINC000910095073 744415876 /nfs/dbraw/zinc/41/58/76/744415876.db2.gz NJSOUEKEVYTGMA-SSDOTTSWSA-N -1 3 373.201 3.153 20 0 FGADHM CSCCO[N-]C(=O)C[C@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 ZINC000935755562 761936144 /nfs/dbraw/zinc/93/61/44/761936144.db2.gz JVCZQIURZBXMNL-ZDUSSCGKSA-N -1 3 366.483 3.326 20 0 FGADHM CCN(CC)[C@H](CNC(=O)c1oc(C(=O)[O-])cc1C)c1ccsc1 ZINC000911189837 757128153 /nfs/dbraw/zinc/12/81/53/757128153.db2.gz BQICLSRDNBCBER-CYBMUJFWSA-N -1 3 350.440 3.161 20 0 FGADHM CCN(CC)[C@@H](CNC(=O)C12CCC(C(=O)[O-])(CC1)C2)c1ccsc1 ZINC000911192727 757129400 /nfs/dbraw/zinc/12/94/00/757129400.db2.gz ZDJLSJVKBPXTNH-MNNVXMFVSA-N -1 3 364.511 3.282 20 0 FGADHM CN(C)CCN(CC1CCCCC1)C(=O)c1ccc(C(=O)[O-])cc1F ZINC000911263769 757145520 /nfs/dbraw/zinc/14/55/20/757145520.db2.gz XFBOJNZCZJSVHT-UHFFFAOYSA-N -1 3 350.434 3.108 20 0 FGADHM C[C@@H](NC(=O)c1cc(C(=O)[O-])ccc1Cl)[C@H](c1ccccc1)N(C)C ZINC000911546750 757182732 /nfs/dbraw/zinc/18/27/32/757182732.db2.gz SVHXAFLFTUDULI-SJKOYZFVSA-N -1 3 360.841 3.459 20 0 FGADHM CC[C@H]1CN(C(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)[C@H](C)CO1 ZINC000911886888 757228546 /nfs/dbraw/zinc/22/85/46/757228546.db2.gz DMUBENXQAFLLHI-MNOVXSKESA-N -1 3 355.460 3.130 20 0 FGADHM O=C(NCc1cc(Cl)cc(Cl)c1F)c1cnc(C2CC2)[n-]c1=O ZINC000913758427 757582128 /nfs/dbraw/zinc/58/21/28/757582128.db2.gz PDANJGBYRWKOHM-UHFFFAOYSA-N -1 3 356.184 3.436 20 0 FGADHM COCC1(N(C)C(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)CCC1 ZINC000913819027 757599772 /nfs/dbraw/zinc/59/97/72/757599772.db2.gz WWXHAZAIYXPMTN-UHFFFAOYSA-N -1 3 355.460 3.131 20 0 FGADHM Cc1ccc(OC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)cc1C ZINC000914709958 757827568 /nfs/dbraw/zinc/82/75/68/757827568.db2.gz XPQLSNLNQRHTOM-UHFFFAOYSA-N -1 3 365.426 3.348 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1ccc(C(F)F)cc1)c1noc(C(F)(F)F)n1 ZINC000916399074 758078685 /nfs/dbraw/zinc/07/86/85/758078685.db2.gz JHGYUXKRDVTDSH-LURJTMIESA-N -1 3 371.287 3.066 20 0 FGADHM O=S(=O)(Cc1c(F)cccc1Cl)[N-]Cc1cc(C(F)F)on1 ZINC000921335712 758688544 /nfs/dbraw/zinc/68/85/44/758688544.db2.gz QVAHCUWJQSJVLB-UHFFFAOYSA-N -1 3 354.737 3.024 20 0 FGADHM Cc1sc2[n-]c([C@H](C)OC(=O)[C@H](C)[C@@H]3CCCO3)nc(=O)c2c1C ZINC000923053145 759057539 /nfs/dbraw/zinc/05/75/39/759057539.db2.gz VHJPQVHCKDUMHD-SCVCMEIPSA-N -1 3 350.440 3.433 20 0 FGADHM Cc1nn(-c2ccccc2)c(Cl)c1CN1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000923531534 759143387 /nfs/dbraw/zinc/14/33/87/759143387.db2.gz JCFMFSHBPNNBDZ-DLBZAZTESA-N -1 3 359.857 3.377 20 0 FGADHM CCC(C)(C)NC(=O)[C@H](C)OC(=O)c1cccc2[n-]c(C(F)F)nc21 ZINC000924083991 759260283 /nfs/dbraw/zinc/26/02/83/759260283.db2.gz PKELBBLMSXIPPQ-VIFPVBQESA-N -1 3 353.369 3.351 20 0 FGADHM CO[C@H](C(=O)Nc1nnc(C(F)(F)F)[n-]1)c1ccccc1C(F)(F)F ZINC000930468669 760619312 /nfs/dbraw/zinc/61/93/12/760619312.db2.gz BWNJQAVEJCZASL-QMMMGPOBSA-N -1 3 368.237 3.169 20 0 FGADHM CO[C@H](C(=O)Nc1nc(C(F)(F)F)n[n-]1)c1ccccc1C(F)(F)F ZINC000930468669 760619317 /nfs/dbraw/zinc/61/93/17/760619317.db2.gz BWNJQAVEJCZASL-QMMMGPOBSA-N -1 3 368.237 3.169 20 0 FGADHM COc1cnc([C@H]2CCCN2C[C@@H](OC)c2ccc(Cl)cc2)[n-]c1=O ZINC000934278378 761584480 /nfs/dbraw/zinc/58/44/80/761584480.db2.gz GHWIFPOFUMHRGT-GDBMZVCRSA-N -1 3 363.845 3.369 20 0 FGADHM C[C@@H]1[C@@H](NC(=O)c2ccccc2[O-])CCN1C(=O)c1ccc(Cl)s1 ZINC000987367320 764135548 /nfs/dbraw/zinc/13/55/48/764135548.db2.gz KGAGGVFQZMNNMP-PWSUYJOCSA-N -1 3 364.854 3.140 20 0 FGADHM C[C@@H]1[C@@H](NC(=O)c2sccc2Cl)CCN1C(=O)c1ccccc1[O-] ZINC000988473536 764290325 /nfs/dbraw/zinc/29/03/25/764290325.db2.gz DRLUDENUIACFBB-MFKMUULPSA-N -1 3 364.854 3.140 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)NCc2ccccc2OC(F)(F)F)c1 ZINC000055162176 205208152 /nfs/dbraw/zinc/20/81/52/205208152.db2.gz BCTMMNHOLURANZ-UHFFFAOYSA-N -1 3 368.311 3.179 20 0 FGADHM CN(C)[C@@H](CNC(=O)c1ccc(Br)cc1[O-])c1ccsc1 ZINC000109363673 206053717 /nfs/dbraw/zinc/05/37/17/206053717.db2.gz YXMWJSVMGMRGTL-ZDUSSCGKSA-N -1 3 369.284 3.249 20 0 FGADHM O=C([O-])CNCc1cc(Br)ccc1OCc1ccccc1 ZINC000113400814 206087884 /nfs/dbraw/zinc/08/78/84/206087884.db2.gz DOJOEFLJHBLORE-UHFFFAOYSA-N -1 3 350.212 3.202 20 0 FGADHM CCCS(=O)(=O)Nc1cccc(NC(=O)c2cccc(C)c2[O-])c1C ZINC000102836854 257351707 /nfs/dbraw/zinc/35/17/07/257351707.db2.gz DQVAYEFPUNFUMG-UHFFFAOYSA-N -1 3 362.451 3.413 20 0 FGADHM CCO[C@@H](CC[N-]S(=O)(=O)c1ccccc1C(F)(F)F)C(C)C ZINC000072715358 494237889 /nfs/dbraw/zinc/23/78/89/494237889.db2.gz HPTVJLZLCXIETE-ZDUSSCGKSA-N -1 3 353.406 3.435 20 0 FGADHM O=C(Cc1cncc([O-])c1)NCCCOc1ccc(Cl)cc1Cl ZINC000573588119 505572822 /nfs/dbraw/zinc/57/28/22/505572822.db2.gz XBIPSABPBPLOCH-UHFFFAOYSA-N -1 3 355.221 3.222 20 0 FGADHM C[C@@H]1CC[C@H](c2nc(-c3ccc([C@]4(C)NC(=O)[N-]C4=O)cc3)no2)C[C@@H]1C ZINC000570773550 505576759 /nfs/dbraw/zinc/57/67/59/505576759.db2.gz SXUVMZAWYOQSEF-NXXNRAFRSA-N -1 3 368.437 3.331 20 0 FGADHM CC[C@@H]1CCC[C@@H]1c1nc(-c2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)no1 ZINC000568031850 505599996 /nfs/dbraw/zinc/59/99/96/505599996.db2.gz RJXOAJQKRLNJHW-WQBCIRTESA-N -1 3 354.410 3.085 20 0 FGADHM CC(C)[C@@]1(C(=O)[O-])CCN(Cc2nnc(-c3ccc(Cl)cc3)n2C)C1 ZINC000568074165 505609369 /nfs/dbraw/zinc/60/93/69/505609369.db2.gz YPHOHRRTLRETBD-GOSISDBHSA-N -1 3 362.861 3.068 20 0 FGADHM CO[C@H](CCN=c1ncc2scc(Br)c2[n-]1)C(F)(F)F ZINC000568107247 505618716 /nfs/dbraw/zinc/61/87/16/505618716.db2.gz GXYLVHKBAUDHJP-MRVPVSSYSA-N -1 3 370.194 3.255 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@@H]2C[C@H]2CC(C)C)c1-c1ccc2c(c1)OCCO2 ZINC000579796500 505623181 /nfs/dbraw/zinc/62/31/81/505623181.db2.gz UAHQPKNCUZKLEF-HUUCEWRRSA-N -1 3 355.438 3.199 20 0 FGADHM CCOc1nc2cc(C(=O)N3CCCC[C@@H]3[C@H]3CCC[C@@H]3O)ccc2[n-]1 ZINC000576938889 505630013 /nfs/dbraw/zinc/63/00/13/505630013.db2.gz MCVAPLTXVCPFGV-OLMNPRSZSA-N -1 3 357.454 3.117 20 0 FGADHM CCOc1nc2ccc(C(=O)N3CCCC[C@@H]3[C@H]3CCC[C@@H]3O)cc2[n-]1 ZINC000576938889 505630017 /nfs/dbraw/zinc/63/00/17/505630017.db2.gz MCVAPLTXVCPFGV-OLMNPRSZSA-N -1 3 357.454 3.117 20 0 FGADHM CC[C@H](NC(=O)CN1C[C@H](C(=O)[O-])CC[C@@H]1C)c1ccc(Cl)cc1 ZINC000577106048 505665205 /nfs/dbraw/zinc/66/52/05/505665205.db2.gz DGIUETCDGIWWDA-BJJXKVORSA-N -1 3 352.862 3.092 20 0 FGADHM [O-]c1cccc(CN2CCC([C@H](O)C(F)(F)F)CC2)c1Br ZINC000571166928 505670087 /nfs/dbraw/zinc/67/00/87/505670087.db2.gz YJNZNPJILVHBRF-ZDUSSCGKSA-N -1 3 368.193 3.290 20 0 FGADHM Cn1cc(C[C@@H](CNCc2ccc(-c3ccc(Cl)cc3)o2)C(=O)[O-])cn1 ZINC000568371163 505678139 /nfs/dbraw/zinc/67/81/39/505678139.db2.gz IHSDBYUEWSUKDI-HNNXBMFYSA-N -1 3 373.840 3.367 20 0 FGADHM CC(C)c1nn(-c2ccccc2)cc1C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000574034427 505678357 /nfs/dbraw/zinc/67/83/57/505678357.db2.gz FFNZKQQIBSRMDB-KRWDZBQOSA-N -1 3 365.437 3.245 20 0 FGADHM CCn1cnc(S(=O)(=O)[N-][C@H](C)c2nc(-c3ccccc3)cs2)c1 ZINC000080751630 493771919 /nfs/dbraw/zinc/77/19/19/493771919.db2.gz CXDIBLXAEPVSOE-GFCCVEGCSA-N -1 3 362.480 3.066 20 0 FGADHM CCn1cnc(S(=O)(=O)[N-][C@H](Cc2ccccc2)c2cccs2)c1 ZINC000080757372 493774025 /nfs/dbraw/zinc/77/40/25/493774025.db2.gz RIQMZTHZHMZYDC-OAHLLOKOSA-N -1 3 361.492 3.227 20 0 FGADHM COc1ccc([C@H](CNC(=O)c2ccc(C)cc2[O-])N2CCCC2)cc1 ZINC000057616238 493778268 /nfs/dbraw/zinc/77/82/68/493778268.db2.gz HNHAAEYLVPKHKF-IBGZPJMESA-N -1 3 354.450 3.276 20 0 FGADHM CC(=O)c1ccc(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCO3)cc1 ZINC000028782216 493800190 /nfs/dbraw/zinc/80/01/90/493800190.db2.gz QAILWWWIHNCAMJ-UHFFFAOYSA-N -1 3 353.783 3.072 20 0 FGADHM COC(=O)c1ccc(F)c([N-]S(=O)(=O)c2c(C)cc(OC)cc2C)c1 ZINC000029047867 493812577 /nfs/dbraw/zinc/81/25/77/493812577.db2.gz MWZIPXMYQVJSLN-UHFFFAOYSA-N -1 3 367.398 3.039 20 0 FGADHM CC(C)CCc1nc(CN2CCN(C(=O)c3cccc([O-])c3)CC2)cs1 ZINC000081021780 493815468 /nfs/dbraw/zinc/81/54/68/493815468.db2.gz LWRUNTRZTWSZKG-UHFFFAOYSA-N -1 3 373.522 3.395 20 0 FGADHM Cc1ccc(C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)c([O-])c1C ZINC000048398471 493826092 /nfs/dbraw/zinc/82/60/92/493826092.db2.gz WRVQFFKUKYPJIC-UHFFFAOYSA-N -1 3 352.434 3.500 20 0 FGADHM C[C@@H](NC(=O)c1cc2c(cc1[O-])CCCC2)c1ccc2c(c1)CC(=O)N2 ZINC000068541857 493837364 /nfs/dbraw/zinc/83/73/64/493837364.db2.gz LTDKZGBLVULCKM-GFCCVEGCSA-N -1 3 350.418 3.257 20 0 FGADHM CC(C)Oc1ccc([C@@H](C)NC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)cc1 ZINC000068626762 493847234 /nfs/dbraw/zinc/84/72/34/493847234.db2.gz IPMYZTVHBMRFLY-GFCCVEGCSA-N -1 3 367.405 3.240 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(NCCc3cc(C)ccc3OC)nc2)n1 ZINC000068660947 493852495 /nfs/dbraw/zinc/85/24/95/493852495.db2.gz IKSPRWXUGXYAEV-UHFFFAOYSA-N -1 3 364.449 3.366 20 0 FGADHM Cc1nn2c(nc(C)cc2C)c1C(=O)[N-]c1nnc(-c2ccsc2)s1 ZINC000068672792 493855384 /nfs/dbraw/zinc/85/53/84/493855384.db2.gz JGGKMUHFTDITIS-UHFFFAOYSA-N -1 3 370.463 3.487 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CCOc3ccccc3)c2)n1 ZINC000049301922 493868769 /nfs/dbraw/zinc/86/87/69/493868769.db2.gz SQVUBNJADCVMID-UHFFFAOYSA-N -1 3 363.417 3.407 20 0 FGADHM Cc1ccc2cc(C(=O)Nc3ccc(F)c([N-]S(C)(=O)=O)c3)[nH]c2c1 ZINC000029992332 493872838 /nfs/dbraw/zinc/87/28/38/493872838.db2.gz YSLBXNDQOYWFTF-UHFFFAOYSA-N -1 3 361.398 3.239 20 0 FGADHM CN(C)[C@H](C[N-]S(=O)(=O)c1cc(F)cc(F)c1)c1ccccc1Cl ZINC000049490187 493874825 /nfs/dbraw/zinc/87/48/25/493874825.db2.gz MNIQQZOVYGNYGM-MRXNPFEDSA-N -1 3 374.840 3.199 20 0 FGADHM C[C@@H](Cc1cccc(F)c1)C(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000068848647 493884649 /nfs/dbraw/zinc/88/46/49/493884649.db2.gz PQWYCJJAWXJKHX-LBPRGKRZSA-N -1 3 350.415 3.015 20 0 FGADHM O=C(Nc1ccc(Br)cc1[O-])c1cnc2ccccc2c1O ZINC000058789229 493885028 /nfs/dbraw/zinc/88/50/28/493885028.db2.gz OHVVURRCWZEKJO-UHFFFAOYSA-N -1 3 359.179 3.249 20 0 FGADHM COc1ccc(C(=O)NC[C@H]2CCCN(Cc3cccs3)C2)c([O-])c1 ZINC000049992942 493890031 /nfs/dbraw/zinc/89/00/31/493890031.db2.gz FZAKLHPWNPUDKU-CQSZACIVSA-N -1 3 360.479 3.104 20 0 FGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@@H]2CCCC[C@H]2C)cc1OC ZINC000050040479 493894556 /nfs/dbraw/zinc/89/45/56/493894556.db2.gz BOYYJOZTLFAOLY-TZMCWYRMSA-N -1 3 369.487 3.157 20 0 FGADHM O=S(=O)([N-][C@@H]1CCOc2ccc(F)cc21)c1ccc(F)cc1Cl ZINC000068938412 493897496 /nfs/dbraw/zinc/89/74/96/493897496.db2.gz KEFHPSFCFGXJHX-CYBMUJFWSA-N -1 3 359.781 3.420 20 0 FGADHM O=C(CNC(=O)c1ccccc1)Nc1cc(Cc2ccccc2)ccc1[O-] ZINC000081459809 493897658 /nfs/dbraw/zinc/89/76/58/493897658.db2.gz GRQZEQXFVPDMQE-UHFFFAOYSA-N -1 3 360.413 3.352 20 0 FGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)C1(c2cccc(F)c2)CCCC1 ZINC000068962662 493900189 /nfs/dbraw/zinc/90/01/89/493900189.db2.gz XFNMUCCSECOUJN-UHFFFAOYSA-N -1 3 365.412 3.134 20 0 FGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)C1(c2cccc(F)c2)CCCC1 ZINC000068962662 493900192 /nfs/dbraw/zinc/90/01/92/493900192.db2.gz XFNMUCCSECOUJN-UHFFFAOYSA-N -1 3 365.412 3.134 20 0 FGADHM O=C(NCC1(Sc2ccccc2)CC1)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000069038207 493909845 /nfs/dbraw/zinc/90/98/45/493909845.db2.gz VNGMYGKWQIZKHR-UHFFFAOYSA-N -1 3 367.430 3.017 20 0 FGADHM CCCCCc1ccc(NC(=O)c2cc(S(=O)(=O)[N-]C)oc2C)cc1 ZINC000081564616 493917891 /nfs/dbraw/zinc/91/78/91/493917891.db2.gz GIBQWLHVDWOVPI-UHFFFAOYSA-N -1 3 364.467 3.481 20 0 FGADHM O=C(Nc1cccc(Cl)c1)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000060358403 493925798 /nfs/dbraw/zinc/92/57/98/493925798.db2.gz ODARLXDGZBZVHO-UHFFFAOYSA-N -1 3 359.813 3.036 20 0 FGADHM Cc1ccc2[n-]cc(C(=O)N3C[C@H]4CCCN4c4ccccc43)c(=O)c2c1 ZINC000577214129 505689287 /nfs/dbraw/zinc/68/92/87/505689287.db2.gz YOOVGAILNOBRFS-OAHLLOKOSA-N -1 3 359.429 3.466 20 0 FGADHM O=S(=O)([N-]C[C@H](c1cccs1)N1CCCC1)c1cccc(F)c1F ZINC000060378956 493928560 /nfs/dbraw/zinc/92/85/60/493928560.db2.gz JEYSOZRCLLHMHD-CYBMUJFWSA-N -1 3 372.462 3.142 20 0 FGADHM CC(=O)NCc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2CCC(C)C)s1 ZINC000069161999 493930260 /nfs/dbraw/zinc/93/02/60/493930260.db2.gz LWPODQKSZSXNHP-GDBMZVCRSA-N -1 3 372.556 3.267 20 0 FGADHM Cc1ccc(C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)o1 ZINC000081715152 493945851 /nfs/dbraw/zinc/94/58/51/493945851.db2.gz NUQXODWSVAXIGY-UHFFFAOYSA-N -1 3 362.813 3.438 20 0 FGADHM COc1cc(C(=O)Nc2n[n-]c(-c3ccccc3F)n2)cc(OC)c1C ZINC000076687010 493950040 /nfs/dbraw/zinc/95/00/40/493950040.db2.gz WFMJUUJRSIIAAA-UHFFFAOYSA-N -1 3 356.357 3.189 20 0 FGADHM CC(=O)N[C@@H](C(=O)[N-]c1cc(-c2ccc(OC(F)F)cc2)no1)C(C)C ZINC000081763633 493952820 /nfs/dbraw/zinc/95/28/20/493952820.db2.gz QFEZYUSLSKJOKO-OAHLLOKOSA-N -1 3 367.352 3.042 20 0 FGADHM CCc1cccc(C(=O)NCC2CCN(C(=O)c3ccccc3)CC2)c1[O-] ZINC000081785831 493953691 /nfs/dbraw/zinc/95/36/91/493953691.db2.gz RVPLVNKHYJDEKJ-UHFFFAOYSA-N -1 3 366.461 3.237 20 0 FGADHM CCC[C@H](C)NC(=O)[C@H]1CCCN(C(=O)c2cc3c(cc2[O-])CCCC3)C1 ZINC000051444079 493970688 /nfs/dbraw/zinc/97/06/88/493970688.db2.gz HLOKTIAFUCPRJQ-YJBOKZPZSA-N -1 3 372.509 3.428 20 0 FGADHM CCc1ccc(S(=O)(=O)[N-]c2ccc(CC(=O)N(CC)CC)cc2)cc1 ZINC000032089105 493974149 /nfs/dbraw/zinc/97/41/49/493974149.db2.gz WBYMBEZVLUMSIS-UHFFFAOYSA-N -1 3 374.506 3.461 20 0 FGADHM CCN(Cc1cccc([N-]S(=O)(=O)c2ccc(C)cc2C)c1)C(C)=O ZINC000032599284 493999405 /nfs/dbraw/zinc/99/94/05/493999405.db2.gz OKFFQOHSAYZPLH-UHFFFAOYSA-N -1 3 360.479 3.473 20 0 FGADHM O=S(=O)([N-]CCc1ccco1)c1ccc(Cl)cc1C(F)(F)F ZINC000007310195 494014804 /nfs/dbraw/zinc/01/48/04/494014804.db2.gz ZMIGEGLIOBBLJN-UHFFFAOYSA-N -1 3 353.749 3.473 20 0 FGADHM Cc1cc2cc(NC(=O)[C@H]3CCCN3C(=O)c3ccccc3[O-])ccc2[nH]1 ZINC000052588892 494043692 /nfs/dbraw/zinc/04/36/92/494043692.db2.gz HXCVNSVUEHAVJM-GOSISDBHSA-N -1 3 363.417 3.425 20 0 FGADHM Cc1ccc(C(=O)NC[C@H](O)COc2cccc(Cl)c2Cl)c([O-])c1 ZINC000063328689 494045983 /nfs/dbraw/zinc/04/59/83/494045983.db2.gz WKERWQYFPFYIAY-NSHDSACASA-N -1 3 370.232 3.177 20 0 FGADHM O=C(CSCc1cccc(Cl)c1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000070731131 494051740 /nfs/dbraw/zinc/05/17/40/494051740.db2.gz XJHUXQHCCSSNEM-UHFFFAOYSA-N -1 3 359.842 3.392 20 0 FGADHM O=C(CSCc1cccc(Cl)c1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000070731131 494051744 /nfs/dbraw/zinc/05/17/44/494051744.db2.gz XJHUXQHCCSSNEM-UHFFFAOYSA-N -1 3 359.842 3.392 20 0 FGADHM COc1ccc(CNC(=O)c2cc([O-])ccc2Cl)c(OC)c1OC ZINC000580178082 505696559 /nfs/dbraw/zinc/69/65/59/505696559.db2.gz HGQBFTBHZFWLDT-UHFFFAOYSA-N -1 3 351.786 3.001 20 0 FGADHM COc1ccc(OCCS(=O)(=O)[N-]c2cccc(Cl)c2C)cc1 ZINC000070878280 494065015 /nfs/dbraw/zinc/06/50/15/494065015.db2.gz RTQWQWJHWHGHBE-UHFFFAOYSA-N -1 3 355.843 3.478 20 0 FGADHM COc1ccc(C(C)(C)CNC(=O)c2cc(=O)c3ccccc3[n-]2)cc1 ZINC000063721393 494079710 /nfs/dbraw/zinc/07/97/10/494079710.db2.gz NYAIWEWJYLVKTQ-UHFFFAOYSA-N -1 3 350.418 3.244 20 0 FGADHM O=S(=O)(CCOc1ccc(F)cc1)[N-]c1cccc(Br)c1 ZINC000036180672 494088972 /nfs/dbraw/zinc/08/89/72/494088972.db2.gz UTODIALBBRVIDT-UHFFFAOYSA-N -1 3 374.231 3.409 20 0 FGADHM CC(C)OCCS(=O)(=O)[N-]c1ccc(Cl)c(Br)c1 ZINC000084727173 494093792 /nfs/dbraw/zinc/09/37/92/494093792.db2.gz ZDIKEXGQFQUYFV-UHFFFAOYSA-N -1 3 356.669 3.269 20 0 FGADHM CCc1ccsc1C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000053122427 494095245 /nfs/dbraw/zinc/09/52/45/494095245.db2.gz ZEXRASBWWCPDKU-UHFFFAOYSA-N -1 3 368.480 3.333 20 0 FGADHM O=C(CSc1nnc(-c2ccncc2)n1C1CC1)Nc1ccccc1[O-] ZINC000009143311 494115832 /nfs/dbraw/zinc/11/58/32/494115832.db2.gz USJOVFBNKNSHPI-UHFFFAOYSA-N -1 3 367.434 3.111 20 0 FGADHM CCOC(=O)CC1(S(=O)(=O)[N-]c2ccc3oc(C(C)C)nc3c2)CC1 ZINC000571294482 505700990 /nfs/dbraw/zinc/70/09/90/505700990.db2.gz KLIHMOGDXKUWHV-UHFFFAOYSA-N -1 3 366.439 3.179 20 0 FGADHM Cc1ccc2ncc(C(=O)[O-])c(N3CC[C@](CO)(c4ccccc4)C3)c2c1 ZINC000580196957 505701166 /nfs/dbraw/zinc/70/11/66/505701166.db2.gz JXPRULVGQICDFU-QFIPXVFZSA-N -1 3 362.429 3.382 20 0 FGADHM C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)sc1Cl)CN1CCCC1 ZINC000077616990 494126244 /nfs/dbraw/zinc/12/62/44/494126244.db2.gz ZCULIQMLFQZVQQ-VIFPVBQESA-N -1 3 357.328 3.065 20 0 FGADHM C[C@@H](CC(=O)Nc1cc(Br)ccc1[O-])NC(=O)C1CCCC1 ZINC000085588592 494132662 /nfs/dbraw/zinc/13/26/62/494132662.db2.gz OXNXGNKUWYXGIS-JTQLQIEISA-N -1 3 369.259 3.178 20 0 FGADHM C[S@](=O)c1ccc(C(=O)Nc2cc(Br)ccc2[O-])cc1 ZINC000085588402 494133204 /nfs/dbraw/zinc/13/32/04/494133204.db2.gz QSQNYOAZATZMQN-HXUWFJFHSA-N -1 3 354.225 3.144 20 0 FGADHM O=S(=O)([N-]c1ccc(Br)cc1)c1ccc2c(c1)CCO2 ZINC000041231792 494152910 /nfs/dbraw/zinc/15/29/10/494152910.db2.gz ARUUPMPIGZQGRV-UHFFFAOYSA-N -1 3 354.225 3.185 20 0 FGADHM C[C@@H](NC(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)C(C)(C)C ZINC000077724934 494158828 /nfs/dbraw/zinc/15/88/28/494158828.db2.gz UGUZTBSNUULIEM-LLVKDONJSA-N -1 3 373.494 3.459 20 0 FGADHM Cc1cc(C(=O)[N-]c2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)on1 ZINC000011451904 494178791 /nfs/dbraw/zinc/17/87/91/494178791.db2.gz GSAOQGJICKNGPG-UHFFFAOYSA-N -1 3 354.391 3.244 20 0 FGADHM O=S(=O)([N-]c1ccc(CCN2CCSCC2)cc1)c1cccs1 ZINC000077888663 494198179 /nfs/dbraw/zinc/19/81/79/494198179.db2.gz XNCYSHYQMIBSKL-UHFFFAOYSA-N -1 3 368.549 3.140 20 0 FGADHM Cc1cc(C)cc(CN2CCC([N-]S(=O)(=O)c3cccs3)CC2)c1 ZINC000054146697 494199774 /nfs/dbraw/zinc/19/97/74/494199774.db2.gz JZIWSEWUHRELJX-UHFFFAOYSA-N -1 3 364.536 3.308 20 0 FGADHM O=S(=O)([N-]Cc1cccc(F)c1)c1ccc(Br)s1 ZINC000042240567 494211587 /nfs/dbraw/zinc/21/15/87/494211587.db2.gz UHPILIGKOFNQDZ-UHFFFAOYSA-N -1 3 350.234 3.128 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)c1cccc(Br)c1)c1nccs1 ZINC000078004900 494213184 /nfs/dbraw/zinc/21/31/84/494213184.db2.gz IQIZWKQNYVELQI-NSHDSACASA-N -1 3 361.286 3.335 20 0 FGADHM COc1ccc(NC(=O)c2cc3c(cc2[O-])CCCC3)cc1NC(C)=O ZINC000065617540 494220635 /nfs/dbraw/zinc/22/06/35/494220635.db2.gz VRDVSQRANFHJJV-UHFFFAOYSA-N -1 3 354.406 3.490 20 0 FGADHM COc1cc(F)c(S(=O)(=O)[N-]CCc2ccccc2Cl)cc1OC ZINC000065794758 494238169 /nfs/dbraw/zinc/23/81/69/494238169.db2.gz TYZUXUJIMWRAGN-UHFFFAOYSA-N -1 3 373.833 3.017 20 0 FGADHM CCCCN(C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1)C1CC1 ZINC000065828061 494243850 /nfs/dbraw/zinc/24/38/50/494243850.db2.gz YKSBDZSPXVKLJG-UHFFFAOYSA-N -1 3 369.487 3.253 20 0 FGADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)NCc1ccc(Cl)s1 ZINC000042957668 494254604 /nfs/dbraw/zinc/25/46/04/494254604.db2.gz NCNQFIGLMDJGGT-UHFFFAOYSA-N -1 3 362.842 3.196 20 0 FGADHM Cc1cc(C)[n-]c(=NNC(=O)Cc2csc(-c3ccc(F)cc3)n2)n1 ZINC000054910632 494283430 /nfs/dbraw/zinc/28/34/30/494283430.db2.gz YSDCUWZGGRARLJ-UHFFFAOYSA-N -1 3 357.414 3.042 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H](C)CCc3cccn3C)nc2)n1 ZINC000078423468 494294531 /nfs/dbraw/zinc/29/45/31/494294531.db2.gz SEPFNIHOMWOCSD-CQSZACIVSA-N -1 3 351.454 3.166 20 0 FGADHM CN(Cc1nc2ccsc2c(=O)[n-]1)C(=O)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000055100906 494301129 /nfs/dbraw/zinc/30/11/29/494301129.db2.gz LYIFAYQTDPXKAO-NXEZZACHSA-N -1 3 373.400 3.312 20 0 FGADHM Cc1cc(C)cc(C(=O)NCC(=O)Nc2cc(C(F)(F)F)ccc2[O-])c1 ZINC000078490950 494306946 /nfs/dbraw/zinc/30/69/46/494306946.db2.gz PLBJVSFOXOIDGA-UHFFFAOYSA-N -1 3 366.339 3.396 20 0 FGADHM CCOC(=O)c1nnsc1[N-]C(=O)c1csc(-c2ccccc2C)n1 ZINC000066304453 494307727 /nfs/dbraw/zinc/30/77/27/494307727.db2.gz AYCXEXLZLLNLHR-UHFFFAOYSA-N -1 3 374.447 3.399 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)NCc2ccc(OC(F)(F)F)cc2)c1 ZINC000055161089 494308979 /nfs/dbraw/zinc/30/89/79/494308979.db2.gz PSMXVDJQUYOCDR-UHFFFAOYSA-N -1 3 368.311 3.179 20 0 FGADHM C[C@H]1CCc2c(sc3[n-]c(CC(=O)NC4CCCCC4)nc(=O)c23)C1 ZINC000055494247 494352817 /nfs/dbraw/zinc/35/28/17/494352817.db2.gz FVNRSKIXEZSBLC-NSHDSACASA-N -1 3 359.495 3.101 20 0 FGADHM CCOC(=O)c1sc2[n-]c(-c3ccc(C(C)=O)cc3)nc(=O)c2c1C ZINC000055493872 494352866 /nfs/dbraw/zinc/35/28/66/494352866.db2.gz FTCVDLGRLOZWEG-UHFFFAOYSA-N -1 3 356.403 3.339 20 0 FGADHM CC(C)[C@H]([N-]S(=O)(=O)C1CCCCC1)c1nc(-c2cccnc2)no1 ZINC000066577293 494358160 /nfs/dbraw/zinc/35/81/60/494358160.db2.gz WJWILOUSDWYLMA-HNNXBMFYSA-N -1 3 364.471 3.081 20 0 FGADHM COC(=O)c1nc[n-]c1NC(=O)[C@H](C)Cc1ccc(Cl)cc1Cl ZINC000568526491 505715839 /nfs/dbraw/zinc/71/58/39/505715839.db2.gz AHKIBBRNCKQKCR-MRVPVSSYSA-N -1 3 356.209 3.320 20 0 FGADHM COC(=O)c1[n-]cnc1NC(=O)[C@H](C)Cc1ccc(Cl)cc1Cl ZINC000568526491 505715842 /nfs/dbraw/zinc/71/58/42/505715842.db2.gz AHKIBBRNCKQKCR-MRVPVSSYSA-N -1 3 356.209 3.320 20 0 FGADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)OCCCO3)cc1C ZINC000055567439 494362790 /nfs/dbraw/zinc/36/27/90/494362790.db2.gz WITIOJSMIFOUOK-UHFFFAOYSA-N -1 3 363.435 3.274 20 0 FGADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(OCC)c2)cc1 ZINC000055631843 494376547 /nfs/dbraw/zinc/37/65/47/494376547.db2.gz UWKQAYZFFJADRT-UHFFFAOYSA-N -1 3 351.424 3.293 20 0 FGADHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CCCCC[C@H]1[C@@H]1CCCCC1=O ZINC000568529768 505716939 /nfs/dbraw/zinc/71/69/39/505716939.db2.gz OWRJIJHXYLZRMJ-HOCLYGCPSA-N -1 3 357.454 3.204 20 0 FGADHM COCCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c(C)c1 ZINC000055643788 494380913 /nfs/dbraw/zinc/38/09/13/494380913.db2.gz OCQKCCXAQWMFKE-UHFFFAOYSA-N -1 3 355.843 3.474 20 0 FGADHM CNC(=O)c1cc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)ccc1Cl ZINC000055648510 494381304 /nfs/dbraw/zinc/38/13/04/494381304.db2.gz QCJMLYINCVITNZ-UHFFFAOYSA-N -1 3 366.870 3.426 20 0 FGADHM CN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000044842328 494383474 /nfs/dbraw/zinc/38/34/74/494383474.db2.gz LOYNRPNYIYIPBH-QGZVFWFLSA-N -1 3 372.852 3.309 20 0 FGADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCCOC)cc2)c(C)c1 ZINC000055663387 494385452 /nfs/dbraw/zinc/38/54/52/494385452.db2.gz CGXPJEMHYSTGLI-UHFFFAOYSA-N -1 3 365.451 3.220 20 0 FGADHM COC(=O)c1sc2[n-]c(CN(C)[C@H]3CCC[C@H](C)C3)nc(=O)c2c1C ZINC000073618781 494399464 /nfs/dbraw/zinc/39/94/64/494399464.db2.gz SSUIOCWNVJVHMX-JQWIXIFHSA-N -1 3 363.483 3.090 20 0 FGADHM Cc1noc(C)c1S(=O)(=O)[N-][C@H]1CCSc2ccc(Cl)cc21 ZINC000016735994 494400591 /nfs/dbraw/zinc/40/05/91/494400591.db2.gz PJRQWGCHJSKGNP-LBPRGKRZSA-N -1 3 358.872 3.460 20 0 FGADHM CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)c2cccc(OC)c2[O-])c1 ZINC000079191421 494416991 /nfs/dbraw/zinc/41/69/91/494416991.db2.gz PUJLTIQIUYLXOL-CYBMUJFWSA-N -1 3 356.422 3.315 20 0 FGADHM COc1ccc(C(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)c([O-])c1 ZINC000018017376 494421467 /nfs/dbraw/zinc/42/14/67/494421467.db2.gz WKKTUEZSOYYPEF-UHFFFAOYSA-N -1 3 360.841 3.012 20 0 FGADHM CC(C)c1ccsc1C(=O)Nc1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000055995748 494440171 /nfs/dbraw/zinc/44/01/71/494440171.db2.gz OQXWONPBFXPDSC-SFHVURJKSA-N -1 3 357.435 3.178 20 0 FGADHM O=C(NCc1ccc(OC2CCCC2)nc1)c1cc(=O)c2ccccc2[n-]1 ZINC000056016440 494442674 /nfs/dbraw/zinc/44/26/74/494442674.db2.gz VNGDSMZWLYSXTE-UHFFFAOYSA-N -1 3 363.417 3.175 20 0 FGADHM CC(C)Nc1cc(F)ccc1NC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000073919271 494449306 /nfs/dbraw/zinc/44/93/06/494449306.db2.gz OSIKCMNKDWWWQJ-UHFFFAOYSA-N -1 3 365.430 3.270 20 0 FGADHM O=C(NCc1ccoc1)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000045784461 494462271 /nfs/dbraw/zinc/46/22/71/494462271.db2.gz GGPYZZBZCPYZLL-UHFFFAOYSA-N -1 3 374.393 3.150 20 0 FGADHM O=C(Nc1cc(Cl)ccc1[O-])c1nc(N2CCCC2)ncc1Cl ZINC000067145650 494484110 /nfs/dbraw/zinc/48/41/10/494484110.db2.gz PWGINYXSCNQNQA-UHFFFAOYSA-N -1 3 353.209 3.342 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)NCC1(c2ccc(F)cc2F)CC1 ZINC000090588197 494484727 /nfs/dbraw/zinc/48/47/27/494484727.db2.gz NTGNKNFEXSUGRU-UHFFFAOYSA-N -1 3 350.340 3.341 20 0 FGADHM O=C(N[C@@H]1CC[C@@H](c2ccc(F)cc2)C1)c1c[n-]c2ccncc2c1=O ZINC000580293918 505724922 /nfs/dbraw/zinc/72/49/22/505724922.db2.gz KMIPKGXRZLMKNR-UKRRQHHQSA-N -1 3 351.381 3.128 20 0 FGADHM C[C@H](COCC(F)(F)F)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000067430550 494539845 /nfs/dbraw/zinc/53/98/45/494539845.db2.gz HHFOKZHWCXMBDT-SSDOTTSWSA-N -1 3 366.188 3.239 20 0 FGADHM CCN(C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1)[C@@H](C)C(C)C ZINC000067507329 494554856 /nfs/dbraw/zinc/55/48/56/494554856.db2.gz ATRVKXWBDULBER-ZDUSSCGKSA-N -1 3 371.503 3.355 20 0 FGADHM COC(=O)c1sc2[n-]c(Cc3nc4ccccc4s3)nc(=O)c2c1C ZINC000046702949 494555169 /nfs/dbraw/zinc/55/51/69/494555169.db2.gz KMDQWGSRYWXWFW-UHFFFAOYSA-N -1 3 371.443 3.280 20 0 FGADHM COCCCNC(=O)[C@@H](C)Sc1nnc([N-]c2ccccc2F)s1 ZINC000023210259 494556343 /nfs/dbraw/zinc/55/63/43/494556343.db2.gz VLXMTPFMKGSWRL-SNVBAGLBSA-N -1 3 370.475 3.054 20 0 FGADHM CCCn1c(=O)[n-]nc1S[C@@H](C)C(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC000023763616 494581457 /nfs/dbraw/zinc/58/14/57/494581457.db2.gz PKRSOMCMWZFTPB-RYUDHWBXSA-N -1 3 374.466 3.498 20 0 FGADHM CCCn1c(=O)[n-]nc1S[C@H](C)C(=O)N1CCSc2ccccc21 ZINC000023763375 494582343 /nfs/dbraw/zinc/58/23/43/494582343.db2.gz QROKLDIBYQOVCO-LLVKDONJSA-N -1 3 364.496 3.013 20 0 FGADHM O=C(CCCc1nc2ccccc2s1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000121076578 494584113 /nfs/dbraw/zinc/58/41/13/494584113.db2.gz CGVPPWFYLRVGIG-UHFFFAOYSA-N -1 3 364.434 3.438 20 0 FGADHM O=C(CCCc1nc2ccccc2s1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000121076578 494584120 /nfs/dbraw/zinc/58/41/20/494584120.db2.gz CGVPPWFYLRVGIG-UHFFFAOYSA-N -1 3 364.434 3.438 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1csc(-c2cccs2)n1 ZINC000121102049 494597070 /nfs/dbraw/zinc/59/70/70/494597070.db2.gz KMGXTIBEEFBCOT-UHFFFAOYSA-N -1 3 354.420 3.304 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1csc(-c2cccs2)n1 ZINC000121102049 494597074 /nfs/dbraw/zinc/59/70/74/494597074.db2.gz KMGXTIBEEFBCOT-UHFFFAOYSA-N -1 3 354.420 3.304 20 0 FGADHM CC(C)(C)Oc1cccc(CCC(=O)Nc2nnc(-c3ccccn3)[n-]2)n1 ZINC000125994981 494599452 /nfs/dbraw/zinc/59/94/52/494599452.db2.gz BXQIDFDHYDEXAT-UHFFFAOYSA-N -1 3 366.425 3.010 20 0 FGADHM CC(C)(C)Oc1cccc(CCC(=O)Nc2nc(-c3ccccn3)n[n-]2)n1 ZINC000125994981 494599459 /nfs/dbraw/zinc/59/94/59/494599459.db2.gz BXQIDFDHYDEXAT-UHFFFAOYSA-N -1 3 366.425 3.010 20 0 FGADHM CC(C)(C)Oc1cccc(CCC(=O)Nc2n[n-]c(-c3ccccn3)n2)n1 ZINC000125994981 494599465 /nfs/dbraw/zinc/59/94/65/494599465.db2.gz BXQIDFDHYDEXAT-UHFFFAOYSA-N -1 3 366.425 3.010 20 0 FGADHM Cc1c(C(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)cnn1C(C)C ZINC000092342214 494600335 /nfs/dbraw/zinc/60/03/35/494600335.db2.gz QBUMHUQCGZPOKR-UHFFFAOYSA-N -1 3 351.410 3.083 20 0 FGADHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-]CC2CCC(C)CC2)s1 ZINC000057012065 494618210 /nfs/dbraw/zinc/61/82/10/494618210.db2.gz LADHRLYBAUFHHJ-LXVYMNJGSA-N -1 3 358.529 3.050 20 0 FGADHM Cc1ccc(C(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)c([O-])c1C ZINC000121168359 494628288 /nfs/dbraw/zinc/62/82/88/494628288.db2.gz TVORNFLVCVKYTN-INIZCTEOSA-N -1 3 353.466 3.359 20 0 FGADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)NCC2CCC2)CC1 ZINC000047053233 494628279 /nfs/dbraw/zinc/62/82/79/494628279.db2.gz MGTPCIHTLLXPDC-UHFFFAOYSA-N -1 3 365.861 3.206 20 0 FGADHM C[C@H](C(=O)Nc1ccccc1OC(F)F)[S@@](=O)c1ccc([O-])cc1 ZINC000108083180 494643344 /nfs/dbraw/zinc/64/33/44/494643344.db2.gz OBDCUMNIKGZQIH-ZZDSUILFSA-N -1 3 355.362 3.128 20 0 FGADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCOC[C@H]1C1CC1 ZINC000091697699 494651851 /nfs/dbraw/zinc/65/18/51/494651851.db2.gz XSBSXROSKFOKJJ-FQEVSTJZSA-N -1 3 351.446 3.428 20 0 FGADHM O=S(=O)([N-][C@H]1CCC[C@H]1c1ccccc1C(F)(F)F)c1c[nH]cn1 ZINC000092556967 494669185 /nfs/dbraw/zinc/66/91/85/494669185.db2.gz WEFUONCUAGKDKF-AAEUAGOBSA-N -1 3 359.373 3.043 20 0 FGADHM CCOc1ncccc1C(=O)[N-]c1nnc(Cc2ccc(C)cc2)s1 ZINC000108249755 494670477 /nfs/dbraw/zinc/67/04/77/494670477.db2.gz SZSGZDJBSLMPHY-UHFFFAOYSA-N -1 3 354.435 3.483 20 0 FGADHM C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000024887369 494675214 /nfs/dbraw/zinc/67/52/14/494675214.db2.gz KMYVUDJPPJUXDP-LLVKDONJSA-N -1 3 368.842 3.118 20 0 FGADHM CC[C@H](NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)c1cccs1 ZINC000057242276 494690081 /nfs/dbraw/zinc/69/00/81/494690081.db2.gz BHZQNZASEJHFIE-INIZCTEOSA-N -1 3 373.478 3.072 20 0 FGADHM C[C@H]1CN(C(=O)NCc2ccc([O-])c(Br)c2)C[C@H](C)S1 ZINC000126281766 494695969 /nfs/dbraw/zinc/69/59/69/494695969.db2.gz VXZGNZUWDRMZET-UWVGGRQHSA-N -1 3 359.289 3.190 20 0 FGADHM O=S(=O)([N-]Cc1ccco1)c1cc(Br)ccc1Cl ZINC000067946202 494705675 /nfs/dbraw/zinc/70/56/75/494705675.db2.gz XNKIKQBJYPLJEV-UHFFFAOYSA-N -1 3 350.621 3.174 20 0 FGADHM Cc1occc1C[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000067947413 494705874 /nfs/dbraw/zinc/70/58/74/494705874.db2.gz PVKYEAFYMPKRKY-UHFFFAOYSA-N -1 3 364.648 3.482 20 0 FGADHM Cc1cc([N-]C(=O)[C@@H](C)N2CCC(OCc3ccccc3F)CC2)on1 ZINC000091866191 494709889 /nfs/dbraw/zinc/70/98/89/494709889.db2.gz ODCMPRCFRNLBGT-CQSZACIVSA-N -1 3 361.417 3.130 20 0 FGADHM CC(C)(C)[S@](=O)Cc1cccc(NC(=O)c2ccc3n[n-]nc3c2)c1 ZINC000116203388 494729705 /nfs/dbraw/zinc/72/97/05/494729705.db2.gz QWWXEXLDORIPON-VWLOTQADSA-N -1 3 356.451 3.257 20 0 FGADHM C[C@@H](NC(=O)c1c[n-]c2ccccc2c1=O)c1ccc(-n2cccn2)cc1 ZINC000075348427 494737989 /nfs/dbraw/zinc/73/79/89/494737989.db2.gz OPUBSUZDKSRUEF-CQSZACIVSA-N -1 3 358.401 3.205 20 0 FGADHM O=C(N[C@@H]1CCCN(c2cccc(F)c2)C1)c1c[n-]c2ccccc2c1=O ZINC000116226996 494738705 /nfs/dbraw/zinc/73/87/05/494738705.db2.gz PYGGSJLGIMDDFA-OAHLLOKOSA-N -1 3 365.408 3.066 20 0 FGADHM COc1ccc(C(=O)N2CCC(OCc3ccccc3F)CC2)c([O-])c1 ZINC000092054241 494769477 /nfs/dbraw/zinc/76/94/77/494769477.db2.gz UKDRNMMYNWXXTI-UHFFFAOYSA-N -1 3 359.397 3.361 20 0 FGADHM C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)C1 ZINC000075503167 494778673 /nfs/dbraw/zinc/77/86/73/494778673.db2.gz HVKRPVLAHRPHHA-PIGZYNQJSA-N -1 3 367.380 3.324 20 0 FGADHM CC[C@@H](CC(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccc(OC)cc1 ZINC000121499829 494782269 /nfs/dbraw/zinc/78/22/69/494782269.db2.gz NZSCIVVSEBRGLI-ZDUSSCGKSA-N -1 3 351.410 3.398 20 0 FGADHM CC[C@@H](CC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccc(OC)cc1 ZINC000121499829 494782272 /nfs/dbraw/zinc/78/22/72/494782272.db2.gz NZSCIVVSEBRGLI-ZDUSSCGKSA-N -1 3 351.410 3.398 20 0 FGADHM CCOc1ccc([C@@H](C)NC(=O)c2c[n-]c3ccccc3c2=O)cc1OC ZINC000025867711 494785381 /nfs/dbraw/zinc/78/53/81/494785381.db2.gz HSXPWVFTSQEAAP-CYBMUJFWSA-N -1 3 366.417 3.426 20 0 FGADHM CS(=O)(=O)c1ccc(-c2noc(Cc3ccc([O-])cc3Cl)n2)cc1 ZINC000131973132 494789416 /nfs/dbraw/zinc/78/94/16/494789416.db2.gz QEEWCORYDPJENK-UHFFFAOYSA-N -1 3 364.810 3.090 20 0 FGADHM Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)o1 ZINC000075544017 494791142 /nfs/dbraw/zinc/79/11/42/494791142.db2.gz JTXVPRPXTBOSCV-BDJLRTHQSA-N -1 3 367.405 3.477 20 0 FGADHM O=C(NCC1(c2ccccc2Cl)CCOCC1)c1c([O-])cccc1O ZINC000092121286 494795632 /nfs/dbraw/zinc/79/56/32/494795632.db2.gz IXHLCKFDEKDRTK-UHFFFAOYSA-N -1 3 361.825 3.229 20 0 FGADHM COc1ccc(Cl)cc1-c1cc(NC(=O)c2c([O-])cccc2O)n[nH]1 ZINC000092120664 494796420 /nfs/dbraw/zinc/79/64/20/494796420.db2.gz JKBMBRUZXHPCCY-UHFFFAOYSA-N -1 3 359.769 3.402 20 0 FGADHM O=C(C[C@H]1C(=O)Nc2ccccc21)Nc1cc(Br)ccc1[O-] ZINC000126711160 494823933 /nfs/dbraw/zinc/82/39/33/494823933.db2.gz FFEZAEAVHLMAKG-LLVKDONJSA-N -1 3 361.195 3.219 20 0 FGADHM COCCOc1ccc(S(=O)(=O)[N-]c2cccc(F)c2F)cc1C ZINC000109283781 494854263 /nfs/dbraw/zinc/85/42/63/494854263.db2.gz ILTXCLKQYMVADV-UHFFFAOYSA-N -1 3 357.378 3.099 20 0 FGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)Cc1ccccc1OC(C)C ZINC000093315218 494867882 /nfs/dbraw/zinc/86/78/82/494867882.db2.gz LTDNYTUCNGNPEO-UHFFFAOYSA-N -1 3 360.410 3.382 20 0 FGADHM Cc1cc(Cl)cc(NC(=O)c2ccc(-n3cnnn3)cc2Cl)c1[O-] ZINC000116979351 494878659 /nfs/dbraw/zinc/87/86/59/494878659.db2.gz WADGLNGLOGIUJY-UHFFFAOYSA-N -1 3 364.192 3.235 20 0 FGADHM C[C@H](Sc1n[n-]c(-c2ccccn2)n1)C(=O)NCc1ccccc1Cl ZINC000117113576 494891587 /nfs/dbraw/zinc/89/15/87/494891587.db2.gz TXLUCIQXRXNFQU-NSHDSACASA-N -1 3 373.869 3.317 20 0 FGADHM Cc1ccccc1C[C@@H](C)NC(=O)CSc1n[n-]c(-c2ccccn2)n1 ZINC000117114423 494892167 /nfs/dbraw/zinc/89/21/67/494892167.db2.gz VDJWDSXOJJYROA-CQSZACIVSA-N -1 3 367.478 3.015 20 0 FGADHM CC(=O)Nc1ccc(C(=O)[C@H](C)Sc2n[n-]c(-c3ccccn3)n2)cc1 ZINC000117116438 494893391 /nfs/dbraw/zinc/89/33/91/494893391.db2.gz HVMDDQQNIRRTHK-NSHDSACASA-N -1 3 367.434 3.189 20 0 FGADHM O=C(Nc1n[n-]c(-c2ccccc2F)n1)c1ccc(C(F)(F)F)nc1 ZINC000109625091 494898407 /nfs/dbraw/zinc/89/84/07/494898407.db2.gz QRAGKAYAZKKWJB-UHFFFAOYSA-N -1 3 351.263 3.277 20 0 FGADHM Cc1cc(F)c(S(=O)(=O)[N-]C[C@H]2CCN(c3ccccc3)C2)cc1F ZINC000121995381 494905809 /nfs/dbraw/zinc/90/58/09/494905809.db2.gz HOUWFLQHWFYQOX-CQSZACIVSA-N -1 3 366.433 3.078 20 0 FGADHM COc1cccc(C(=O)Nc2nc(CN3CCCCCC3)cs2)c1[O-] ZINC000122106703 494925054 /nfs/dbraw/zinc/92/50/54/494925054.db2.gz ZJYWBBAOZNFMKQ-UHFFFAOYSA-N -1 3 361.467 3.486 20 0 FGADHM O=C(Nc1ccccc1[O-])C1CCN(C[C@@H](O)c2ccccc2Cl)CC1 ZINC000132806103 494927220 /nfs/dbraw/zinc/92/72/20/494927220.db2.gz IKMCMSJKFQMYCG-LJQANCHMSA-N -1 3 374.868 3.430 20 0 FGADHM Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)Nc1ccncc1[O-] ZINC000109890812 494930353 /nfs/dbraw/zinc/93/03/53/494930353.db2.gz MYSBYYZVRYLNFA-UHFFFAOYSA-N -1 3 356.813 3.424 20 0 FGADHM CC1(C)Cc2ccc(C(=O)Nc3ccc4c(c3)CCC(=O)N4)c([O-])c2O1 ZINC000093943715 494937680 /nfs/dbraw/zinc/93/76/80/494937680.db2.gz JPDWEQRSIQSJOQ-UHFFFAOYSA-N -1 3 352.390 3.243 20 0 FGADHM CC(C)c1ccc(OCCC(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000110001617 494939003 /nfs/dbraw/zinc/93/90/03/494939003.db2.gz ZZPCATFOAHKNEO-UHFFFAOYSA-N -1 3 365.437 3.075 20 0 FGADHM CC(C)c1ccc(OCCC(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000110001617 494939004 /nfs/dbraw/zinc/93/90/04/494939004.db2.gz ZZPCATFOAHKNEO-UHFFFAOYSA-N -1 3 365.437 3.075 20 0 FGADHM CCc1ccc([O-])c(C(=O)Nc2ccccc2OCCn2ccnc2)c1 ZINC000094038199 494942958 /nfs/dbraw/zinc/94/29/58/494942958.db2.gz GSGANJLVVNDHKC-UHFFFAOYSA-N -1 3 351.406 3.482 20 0 FGADHM Cc1nc(-c2ccc([N-]S(=O)(=O)C[C@@H]3CCCCO3)cc2)cs1 ZINC000110096862 494948917 /nfs/dbraw/zinc/94/89/17/494948917.db2.gz LGQKXQINURKHSH-HNNXBMFYSA-N -1 3 352.481 3.429 20 0 FGADHM CCc1cccc(C(=O)N[C@@H](c2noc(C)n2)c2ccccc2OC)c1[O-] ZINC000094149318 494954021 /nfs/dbraw/zinc/95/40/21/494954021.db2.gz BVFFYJUHFWVJKP-QGZVFWFLSA-N -1 3 367.405 3.174 20 0 FGADHM O=C(Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)c1ccc(Cl)cc1 ZINC000133067779 494963831 /nfs/dbraw/zinc/96/38/31/494963831.db2.gz BXTSMNOOQCRQRL-UHFFFAOYSA-N -1 3 368.817 3.172 20 0 FGADHM O=S(=O)(c1nc(C2CC2)n[n-]1)[C@H]1CCc2c1cc(Cl)cc2Cl ZINC000133096531 494968919 /nfs/dbraw/zinc/96/89/19/494968919.db2.gz JOHLIEBAYPQCIX-LBPRGKRZSA-N -1 3 358.250 3.450 20 0 FGADHM O=S(=O)(c1nnc(C2CC2)[n-]1)[C@H]1CCc2c1cc(Cl)cc2Cl ZINC000133096531 494968922 /nfs/dbraw/zinc/96/89/22/494968922.db2.gz JOHLIEBAYPQCIX-LBPRGKRZSA-N -1 3 358.250 3.450 20 0 FGADHM CCCCS[C@H](C)C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000133107433 494970276 /nfs/dbraw/zinc/97/02/76/494970276.db2.gz GZYFRDGOARZHMT-LLVKDONJSA-N -1 3 374.503 3.127 20 0 FGADHM Cc1oc2ncnc([N-]C(=O)c3cnc(-c4ncccn4)s3)c2c1C ZINC000118200229 494981194 /nfs/dbraw/zinc/98/11/94/494981194.db2.gz YMERYFYITGCKRX-UHFFFAOYSA-N -1 3 352.379 3.005 20 0 FGADHM CC(C)N(C(=O)[C@@H](C)N1CCC(C(=O)c2ccc([O-])cc2)CC1)C(C)C ZINC000127773449 494995314 /nfs/dbraw/zinc/99/53/14/494995314.db2.gz VCXKAUMAMAPQFL-MRXNPFEDSA-N -1 3 360.498 3.321 20 0 FGADHM Cc1ccc([O-])c(C(=O)NCc2ccc(C(=O)Nc3ccncc3)cc2)c1 ZINC000122567738 494995455 /nfs/dbraw/zinc/99/54/55/494995455.db2.gz BXYSXWVGZMDBKU-UHFFFAOYSA-N -1 3 361.401 3.278 20 0 FGADHM C[C@H](CS(=O)(=O)[N-]c1ccc(C(=O)NC2CC2)cc1)c1ccccc1 ZINC000133445547 495015115 /nfs/dbraw/zinc/01/51/15/495015115.db2.gz MMHGGVJYOKFTFD-CQSZACIVSA-N -1 3 358.463 3.124 20 0 FGADHM COc1ccc(/C=C\c2nc(-c3ccc([N-]S(C)(=O)=O)cc3)no2)cc1 ZINC000096904581 495015703 /nfs/dbraw/zinc/01/57/03/495015703.db2.gz MUPFCDKGHZIACL-XGICHPGQSA-N -1 3 371.418 3.287 20 0 FGADHM C[C@H](CS(=O)(=O)[N-]c1ccc(C(=O)N2CCCC2)cc1)c1ccccc1 ZINC000133454264 495016027 /nfs/dbraw/zinc/01/60/27/495016027.db2.gz QVSZBVBBLBSWNT-MRXNPFEDSA-N -1 3 372.490 3.468 20 0 FGADHM COc1cc(F)c([N-]S(=O)(=O)C[C@H](C)c2ccccc2)cc1OC ZINC000133514564 495022592 /nfs/dbraw/zinc/02/25/92/495022592.db2.gz IMUBLHUPFBMCEH-LBPRGKRZSA-N -1 3 353.415 3.388 20 0 FGADHM O=C(Cc1csc(NC(=O)c2cccc([O-])c2)n1)N1CCCCCC1 ZINC000118753983 495032569 /nfs/dbraw/zinc/03/25/69/495032569.db2.gz DPJFXAXZFHTPIR-UHFFFAOYSA-N -1 3 359.451 3.046 20 0 FGADHM C[C@]1(F)CCCN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1 ZINC000574371001 505757490 /nfs/dbraw/zinc/75/74/90/505757490.db2.gz JYNKMJRDPAOYMD-INIZCTEOSA-N -1 3 367.218 3.255 20 0 FGADHM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]Cc2nc(C3CC3)cs2)c1 ZINC000122925857 495053916 /nfs/dbraw/zinc/05/39/16/495053916.db2.gz VVRHTMNKISNBNO-UHFFFAOYSA-N -1 3 370.883 3.355 20 0 FGADHM CC(C)n1cnnc1[C@H]1CCCN(C(=O)Cc2ccc([O-])cc2Cl)C1 ZINC000133804056 495063698 /nfs/dbraw/zinc/06/36/98/495063698.db2.gz NDNGVKPCXKTFMO-AWEZNQCLSA-N -1 3 362.861 3.167 20 0 FGADHM O=S(=O)([N-][C@@H](c1cccnc1)c1ccc(F)c(F)c1)c1cccs1 ZINC000111343047 495066127 /nfs/dbraw/zinc/06/61/27/495066127.db2.gz LPQKBIDSVBEOGB-MRXNPFEDSA-N -1 3 366.414 3.489 20 0 FGADHM CCc1nc([C@@H](C)[N-]S(=O)(=O)c2ccc(F)c(F)c2F)cs1 ZINC000111363032 495067355 /nfs/dbraw/zinc/06/73/55/495067355.db2.gz OMUMVRHBLKWGLC-SSDOTTSWSA-N -1 3 350.387 3.162 20 0 FGADHM COc1ccc([O-])c(C(=O)Nc2cccc(CN3CCSCC3)c2)c1 ZINC000128347635 495083368 /nfs/dbraw/zinc/08/33/68/495083368.db2.gz WZEHKYPZDFGMKG-UHFFFAOYSA-N -1 3 358.463 3.202 20 0 FGADHM CC[C@H](Sc1ccccc1)C(=O)NCCCNC(=O)c1cccc([O-])c1 ZINC000111592326 495088277 /nfs/dbraw/zinc/08/82/77/495088277.db2.gz OFQOTTSHTYZVCZ-SFHVURJKSA-N -1 3 372.490 3.199 20 0 FGADHM Cc1ccc(Cl)cc1NC(=O)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000101738718 495095264 /nfs/dbraw/zinc/09/52/64/495095264.db2.gz NENNXFQFMNEGJZ-UHFFFAOYSA-N -1 3 373.840 3.344 20 0 FGADHM COc1cc(C(=O)N2CC=C(c3ccc(F)cc3)CC2)cc(OC)c1[O-] ZINC000123266208 495105727 /nfs/dbraw/zinc/10/57/27/495105727.db2.gz OTBRAUTXENFMPF-UHFFFAOYSA-N -1 3 357.381 3.478 20 0 FGADHM NC(=O)N[C@H](CC(=O)Nc1ccc([O-])c(C(F)(F)F)c1)c1cccs1 ZINC000134101961 495105834 /nfs/dbraw/zinc/10/58/34/495105834.db2.gz XFWHSSQDLRWLGL-SNVBAGLBSA-N -1 3 373.356 3.211 20 0 FGADHM Cc1ccc(C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)c(Br)c1 ZINC000123296856 495110557 /nfs/dbraw/zinc/11/05/57/495110557.db2.gz OWTWBYZNWYJWFF-UHFFFAOYSA-N -1 3 372.226 3.114 20 0 FGADHM Cc1ccc(C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)c(Br)c1 ZINC000123296856 495110560 /nfs/dbraw/zinc/11/05/60/495110560.db2.gz OWTWBYZNWYJWFF-UHFFFAOYSA-N -1 3 372.226 3.114 20 0 FGADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000134133151 495111115 /nfs/dbraw/zinc/11/11/15/495111115.db2.gz WFPXJYOJWWJDGL-JTQLQIEISA-N -1 3 356.344 3.141 20 0 FGADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1ccc(N2CCCC2)nn1 ZINC000134178178 495118038 /nfs/dbraw/zinc/11/80/38/495118038.db2.gz VYIXRHCRLNZRHJ-UHFFFAOYSA-N -1 3 352.316 3.054 20 0 FGADHM C[C@H](CC(=O)c1ccccc1)[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000134183580 495119006 /nfs/dbraw/zinc/11/90/06/495119006.db2.gz PKJKKVLDGZXVHL-SNVBAGLBSA-N -1 3 357.353 3.044 20 0 FGADHM CC(C)[C@@H](NC(=O)CNC(=O)c1ccc([O-])cc1)c1ccccc1Cl ZINC000574390025 505762684 /nfs/dbraw/zinc/76/26/84/505762684.db2.gz HXZBLEDVLAGTOS-GOSISDBHSA-N -1 3 360.841 3.289 20 0 FGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)CCOc1ccc(C)c(C)c1 ZINC000134285123 495129859 /nfs/dbraw/zinc/12/98/59/495129859.db2.gz NUJCQGUPQJHHBZ-UHFFFAOYSA-N -1 3 360.410 3.438 20 0 FGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)c1csc(-c2ccoc2)n1 ZINC000134286262 495130000 /nfs/dbraw/zinc/13/00/00/495130000.db2.gz DKCXCZQUTAKEMW-UHFFFAOYSA-N -1 3 361.379 3.383 20 0 FGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)Cc1c[nH]c2cc(F)ccc12 ZINC000134287298 495130472 /nfs/dbraw/zinc/13/04/72/495130472.db2.gz OEDUPWCKPFIAFM-UHFFFAOYSA-N -1 3 359.357 3.215 20 0 FGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)c1ccc(Br)o1 ZINC000134290086 495130530 /nfs/dbraw/zinc/13/05/30/495130530.db2.gz VWEOZZWZPKBOGC-UHFFFAOYSA-N -1 3 357.160 3.022 20 0 FGADHM CO[C@@H](C)C(=O)Nc1cccc(NC(=O)Cc2ccc([O-])cc2Cl)c1 ZINC000123429293 495131412 /nfs/dbraw/zinc/13/14/12/495131412.db2.gz CZZJRERPPSDZLH-NSHDSACASA-N -1 3 362.813 3.200 20 0 FGADHM COc1ccc(C[N-]S(=O)(=O)c2ccc(F)c(F)c2F)cc1Cl ZINC000123466703 495136935 /nfs/dbraw/zinc/13/69/35/495136935.db2.gz XWGFBHOWCXDOEY-UHFFFAOYSA-N -1 3 365.760 3.244 20 0 FGADHM O=C(Nc1cccc([O-])c1F)c1cccc(I)c1 ZINC000128706613 495138043 /nfs/dbraw/zinc/13/80/43/495138043.db2.gz LNRDZGNMOWWUDZ-UHFFFAOYSA-N -1 3 357.122 3.388 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)C(=O)Nc1ccccc1 ZINC000112090518 495143185 /nfs/dbraw/zinc/14/31/85/495143185.db2.gz SAIZJTNAACVLCJ-JTQLQIEISA-N -1 3 373.261 3.299 20 0 FGADHM Cc1n[nH]c(C)c1[N-]S(=O)(=O)C1=Cc2ccc(OC(F)F)cc2CC1 ZINC000123527905 495147050 /nfs/dbraw/zinc/14/70/50/495147050.db2.gz IYXWVWRZRCBTJC-UHFFFAOYSA-N -1 3 369.393 3.357 20 0 FGADHM CN(Cc1nc(=O)c2cc(-c3ccccc3)sc2[n-]1)[C@@H](CO)C(C)(C)C ZINC000134433046 495148636 /nfs/dbraw/zinc/14/86/36/495148636.db2.gz HHGFRPSMJLJEAW-INIZCTEOSA-N -1 3 371.506 3.490 20 0 FGADHM Cc1cc(C)n2nc(C(=O)[N-]c3scnc3-c3ccccc3)nc2n1 ZINC000102725822 495157307 /nfs/dbraw/zinc/15/73/07/495157307.db2.gz ZOISPUZIMMNLFX-UHFFFAOYSA-N -1 3 350.407 3.117 20 0 FGADHM CCCN(CC(=O)Nc1ccc(Cl)cc1)C(=O)c1ccc(O)cc1[O-] ZINC000112248266 495160399 /nfs/dbraw/zinc/16/03/99/495160399.db2.gz PQWZRZFGADHGJL-UHFFFAOYSA-N -1 3 362.813 3.242 20 0 FGADHM O=C([O-])[C@@H](c1ccc(F)cc1)N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000574406054 505765837 /nfs/dbraw/zinc/76/58/37/505765837.db2.gz HWEMMGTUCIXIMX-ZWKOTPCHSA-N -1 3 351.418 3.002 20 0 FGADHM CC(C)C(=O)NCCN(C)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000123767254 495183709 /nfs/dbraw/zinc/18/37/09/495183709.db2.gz KIYOIVTWRFVZLG-UHFFFAOYSA-N -1 3 356.422 3.029 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]c2c(F)cccc2CO)cc1C(F)(F)F ZINC000134668082 495183942 /nfs/dbraw/zinc/18/39/42/495183942.db2.gz KSWIVPONXMYPCG-UHFFFAOYSA-N -1 3 363.332 3.446 20 0 FGADHM Cc1ccc(-c2ncco2)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000134683058 495186244 /nfs/dbraw/zinc/18/62/44/495186244.db2.gz RRWRJKWLWOKDFN-UHFFFAOYSA-N -1 3 356.403 3.386 20 0 FGADHM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)C[C@H](C)c2ccccc2)o1 ZINC000119545425 495187450 /nfs/dbraw/zinc/18/74/50/495187450.db2.gz MHFNFBOZGQOFPA-WMLDXEAASA-N -1 3 351.468 3.253 20 0 FGADHM CCC[C@@H](CCO)C[N-]S(=O)(=O)c1cc(Cl)c(OC)cc1Cl ZINC000123826186 495192591 /nfs/dbraw/zinc/19/25/91/495192591.db2.gz GBDBABPHJZDJHZ-JTQLQIEISA-N -1 3 370.298 3.079 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)NCc3ccn(C4CCCC4)n3)c[n-]c12 ZINC000134959840 495231271 /nfs/dbraw/zinc/23/12/71/495231271.db2.gz DSQAFLOTTAGEAJ-UHFFFAOYSA-N -1 3 368.412 3.217 20 0 FGADHM CCc1ccc(C(=O)N2CCC(C(=O)Nc3cccc([O-])c3F)CC2)o1 ZINC000129367107 495235250 /nfs/dbraw/zinc/23/52/50/495235250.db2.gz QAXPFDZOJDLJKP-UHFFFAOYSA-N -1 3 360.385 3.178 20 0 FGADHM CC(C)(CO)[C@@H](C[N-]S(=O)(=O)c1ccc(F)cc1F)c1ccccc1 ZINC000129366368 495235258 /nfs/dbraw/zinc/23/52/58/495235258.db2.gz QXLUGUYVSGBCTH-HNNXBMFYSA-N -1 3 369.433 3.045 20 0 FGADHM NC(=O)c1ccc(C(=O)[N-]c2cccc(Cl)c2SCC(F)F)nc1 ZINC000134997054 495236109 /nfs/dbraw/zinc/23/61/09/495236109.db2.gz XMZHUFSNKWKLOK-UHFFFAOYSA-N -1 3 371.796 3.443 20 0 FGADHM CCOc1ccc(S(=O)(=O)[N-]c2ncc(C)cc2Br)cc1 ZINC000129482166 495251818 /nfs/dbraw/zinc/25/18/18/495251818.db2.gz ROKAZQJGASSCIH-UHFFFAOYSA-N -1 3 371.256 3.352 20 0 FGADHM Cc1nc(C)c(CC(=O)N(C)[C@H](c2ccccc2Cl)C(C)C)c(=O)[n-]1 ZINC000113199491 495282793 /nfs/dbraw/zinc/28/27/93/495282793.db2.gz RUNCIHMABRREKR-SFHVURJKSA-N -1 3 361.873 3.438 20 0 FGADHM O=C([N-]c1nc2ccc(F)cn2n1)c1csc(CCc2ccccc2)n1 ZINC000129865599 495307280 /nfs/dbraw/zinc/30/72/80/495307280.db2.gz HUBXMCDUVJHVDF-UHFFFAOYSA-N -1 3 367.409 3.362 20 0 FGADHM Cc1cc2sc(NC(=O)c3ccc4c(c3)C(=O)[N-]C4=O)nc2c(C)c1 ZINC000104828087 495308603 /nfs/dbraw/zinc/30/86/03/495308603.db2.gz XOBHQEOQCUFVLU-UHFFFAOYSA-N -1 3 351.387 3.049 20 0 FGADHM Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000135563918 495311633 /nfs/dbraw/zinc/31/16/33/495311633.db2.gz IFURZDQMBLCMRE-GFCCVEGCSA-N -1 3 371.828 3.158 20 0 FGADHM Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000135563918 495311637 /nfs/dbraw/zinc/31/16/37/495311637.db2.gz IFURZDQMBLCMRE-GFCCVEGCSA-N -1 3 371.828 3.158 20 0 FGADHM O=S(=O)(CCC1CC1)[N-]c1cc(C(F)(F)F)ccc1-n1cccn1 ZINC000129966371 495321634 /nfs/dbraw/zinc/32/16/34/495321634.db2.gz JLYSOXAGZLMOLQ-UHFFFAOYSA-N -1 3 359.373 3.433 20 0 FGADHM CC(C)c1ccccc1OCCC(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000124658378 495323178 /nfs/dbraw/zinc/32/31/78/495323178.db2.gz OZIQXQXMYJOKKZ-UHFFFAOYSA-N -1 3 365.437 3.322 20 0 FGADHM CC(C)c1ccccc1OCCC(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000124658378 495323180 /nfs/dbraw/zinc/32/31/80/495323180.db2.gz OZIQXQXMYJOKKZ-UHFFFAOYSA-N -1 3 365.437 3.322 20 0 FGADHM COc1ccc([N-]S(=O)(=O)c2cc(-c3nc(C)no3)ccc2C)cc1 ZINC000113742820 495328712 /nfs/dbraw/zinc/32/87/12/495328712.db2.gz PCULJOMNJINMQV-UHFFFAOYSA-N -1 3 359.407 3.163 20 0 FGADHM O=C(Cc1ccc2c(c1)OCO2)Nc1ccc(Br)cc1[O-] ZINC000130026644 495330341 /nfs/dbraw/zinc/33/03/41/495330341.db2.gz JKRQIROZMDFVAV-UHFFFAOYSA-N -1 3 350.168 3.065 20 0 FGADHM COc1cccc(C(=O)N2CCN(Cc3cccc(Cl)c3)CC2)c1[O-] ZINC000120223189 495331400 /nfs/dbraw/zinc/33/14/00/495331400.db2.gz GZPILQCXZOWNPE-UHFFFAOYSA-N -1 3 360.841 3.012 20 0 FGADHM CCOC(=O)c1ccc(NC(=O)c2cc(C)n(-c3ccccc3)n2)c([O-])c1 ZINC000124773836 495341417 /nfs/dbraw/zinc/34/14/17/495341417.db2.gz CMUSXQPVWZIOPB-UHFFFAOYSA-N -1 3 365.389 3.315 20 0 FGADHM CCCS(=O)(=O)[N-]c1ccc(C(=O)Nc2cnc(Cl)cc2C)cc1 ZINC000135978120 495347409 /nfs/dbraw/zinc/34/74/09/495347409.db2.gz LLLOONXLHINCCP-UHFFFAOYSA-N -1 3 367.858 3.447 20 0 FGADHM CC[C@H](C)NC(=O)c1cccc(CNC(=O)Cc2ccc([O-])cc2Cl)c1 ZINC000136177504 495361500 /nfs/dbraw/zinc/36/15/00/495361500.db2.gz SCLDBPVQXOAZKF-ZDUSSCGKSA-N -1 3 374.868 3.433 20 0 FGADHM CCCS(=O)(=O)[N-]c1ccc(C(=O)Nc2cc(Cl)ccn2)cc1 ZINC000114325292 495362367 /nfs/dbraw/zinc/36/23/67/495362367.db2.gz LTVKYFBVMIJQPR-UHFFFAOYSA-N -1 3 353.831 3.139 20 0 FGADHM COC(=O)c1sc2[n-]c(CN3CCC[C@H]3CC(C)C)nc(=O)c2c1C ZINC000130352433 495378401 /nfs/dbraw/zinc/37/84/01/495378401.db2.gz SPQLGYSZSFKXFF-LBPRGKRZSA-N -1 3 363.483 3.090 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3sccc3OC)c2)n1 ZINC000105951486 495397031 /nfs/dbraw/zinc/39/70/31/495397031.db2.gz ONXMECOGGHUQCB-UHFFFAOYSA-N -1 3 355.419 3.322 20 0 FGADHM CC[C@@H](CC(=O)NCCNC(=O)c1ccc([O-])cc1)c1ccc(C)cc1 ZINC000130499910 495401680 /nfs/dbraw/zinc/40/16/80/495401680.db2.gz FRAQXAQWKCDHFC-INIZCTEOSA-N -1 3 354.450 3.131 20 0 FGADHM Cc1ccsc1[C@@H](CO)[N-]S(=O)(=O)c1ccc(C(C)(C)C)s1 ZINC000125242929 495411633 /nfs/dbraw/zinc/41/16/33/495411633.db2.gz QQHWMDTYEMVHRC-LLVKDONJSA-N -1 3 359.538 3.427 20 0 FGADHM CN(C)[C@H](C[N-]S(=O)(=O)c1cccc(Cl)c1F)c1cccc(F)c1 ZINC000106300198 495443323 /nfs/dbraw/zinc/44/33/23/495443323.db2.gz GLXNJVYTKFKWQH-CQSZACIVSA-N -1 3 374.840 3.199 20 0 FGADHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc(-c4ccncc4)on3)c2)n1 ZINC000130888577 495461188 /nfs/dbraw/zinc/46/11/88/495461188.db2.gz VKTHQCVNSXLXMS-UHFFFAOYSA-N -1 3 373.372 3.048 20 0 FGADHM COc1ccc([C@@H](CNC(=O)c2c([O-])cccc2O)N2CCCCC2)cc1 ZINC000125566560 495463766 /nfs/dbraw/zinc/46/37/66/495463766.db2.gz GYWWWCLKJNJMBT-QGZVFWFLSA-N -1 3 370.449 3.063 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)c3ccoc3)c2)cc1 ZINC000125587967 495466599 /nfs/dbraw/zinc/46/65/99/495466599.db2.gz ZRJRVMZXGPCIDB-UHFFFAOYSA-N -1 3 372.402 3.341 20 0 FGADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1cc(-c2ccccn2)ccc1Cl ZINC000130941641 495469906 /nfs/dbraw/zinc/46/99/06/495469906.db2.gz ODAKZTNWLMWYIL-UHFFFAOYSA-N -1 3 356.769 3.164 20 0 FGADHM CCc1cc(=O)[n-]c(CS[C@@H](C)C(=O)NCc2ccccc2Cl)n1 ZINC000125609757 495470374 /nfs/dbraw/zinc/47/03/74/495470374.db2.gz GYROFHXKWXWSRL-NSHDSACASA-N -1 3 365.886 3.336 20 0 FGADHM O=S(=O)([N-]Cc1ccn(C2CCCC2)n1)c1ccc(Cl)cc1F ZINC000125671536 495479552 /nfs/dbraw/zinc/47/95/52/495479552.db2.gz AQCQRDDHHINTPY-UHFFFAOYSA-N -1 3 357.838 3.269 20 0 FGADHM Cc1cccc(C(=O)Nc2cccc(C[S@](=O)C3CCOCC3)c2)c1[O-] ZINC000115288745 495485477 /nfs/dbraw/zinc/48/54/77/495485477.db2.gz YIGPREDVEXYMKB-AREMUKBSSA-N -1 3 373.474 3.381 20 0 FGADHM O=C(CCc1nnc(C2CCCC2)o1)Nc1n[n-]c(-c2ccccc2F)n1 ZINC000131063760 495487380 /nfs/dbraw/zinc/48/73/80/495487380.db2.gz AJTQRZUKSZLICJ-UHFFFAOYSA-N -1 3 370.388 3.223 20 0 FGADHM CC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3cc(F)ccc3Cl)cc21 ZINC000115312313 495488789 /nfs/dbraw/zinc/48/87/89/495488789.db2.gz ZLMVYYSEWQAKCY-UHFFFAOYSA-N -1 3 368.817 3.189 20 0 FGADHM CCc1cc(=O)[n-]c(CS[C@H](C)C(=O)N(C)Cc2cccc(F)c2)n1 ZINC000125800728 495501694 /nfs/dbraw/zinc/50/16/94/495501694.db2.gz SOONJEXUHFMVEJ-GFCCVEGCSA-N -1 3 363.458 3.164 20 0 FGADHM CO[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(-c2csc(C)n2)s1 ZINC000121004997 495501703 /nfs/dbraw/zinc/50/17/03/495501703.db2.gz QBDVWFUZHYNGIA-YPMHNXCESA-N -1 3 372.537 3.416 20 0 FGADHM C[C@H](O)[C@@H]1CCCCN1Cc1nc(=O)c2cc(-c3ccccc3)sc2[n-]1 ZINC000106863912 495502744 /nfs/dbraw/zinc/50/27/44/495502744.db2.gz ZOUHPLKQQHSCSD-BBRMVZONSA-N -1 3 369.490 3.387 20 0 FGADHM O=S(=O)([N-]C1CCC1)c1ccc(Br)cc1C(F)(F)F ZINC000141167747 495503281 /nfs/dbraw/zinc/50/32/81/495503281.db2.gz SMOZKFPMVKHFIW-UHFFFAOYSA-N -1 3 358.179 3.299 20 0 FGADHM COCCOc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2C)cc1C ZINC000574500789 505786552 /nfs/dbraw/zinc/78/65/52/505786552.db2.gz QEZKFUJRWHESNH-UHFFFAOYSA-N -1 3 371.405 3.408 20 0 FGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@H](c1ccc(C)cc1)C1CC1 ZINC000142120064 495514615 /nfs/dbraw/zinc/51/46/15/495514615.db2.gz OJMRESJZWBFVAZ-OAHLLOKOSA-N -1 3 365.476 3.273 20 0 FGADHM O=S(=O)(Cc1ccc(Cl)c(F)c1)[N-]Cc1noc2ccccc21 ZINC000571678042 505788684 /nfs/dbraw/zinc/78/86/84/505788684.db2.gz WSZPHGQXKHGLDC-UHFFFAOYSA-N -1 3 354.790 3.240 20 0 FGADHM CCC(CC)c1cc(C[N-]S(=O)(=O)Cc2cccc(OC)c2)on1 ZINC000173494784 495557125 /nfs/dbraw/zinc/55/71/25/495557125.db2.gz LPUNYNIRSUKWEX-UHFFFAOYSA-N -1 3 352.456 3.206 20 0 FGADHM CCC(CC)c1cc(C[N-]S(=O)(=O)c2cnn(-c3ccccc3)c2)on1 ZINC000173494829 495557191 /nfs/dbraw/zinc/55/71/91/495557191.db2.gz VGUIVRZYNRCPTA-UHFFFAOYSA-N -1 3 374.466 3.242 20 0 FGADHM CCC(CC)c1cc(C[N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)on1 ZINC000173493234 495557295 /nfs/dbraw/zinc/55/72/95/495557295.db2.gz OXVSQJSTMUOGHT-LBPRGKRZSA-N -1 3 364.467 3.380 20 0 FGADHM CC(C)(C)OCc1cc(C(=O)[N-]c2sccc2C(=O)NC2CC2)no1 ZINC000185388579 495558721 /nfs/dbraw/zinc/55/87/21/495558721.db2.gz YDLRMWSLNFFKDV-UHFFFAOYSA-N -1 3 363.439 3.196 20 0 FGADHM Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)c2ccc3n[n-]nc3c2)cc1 ZINC000173499530 495559441 /nfs/dbraw/zinc/55/94/41/495559441.db2.gz XFAOTHZPJBNBLB-APWZRJJASA-N -1 3 350.422 3.164 20 0 FGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)c2cc(F)cc3cccnc32)c1 ZINC000154273466 495564335 /nfs/dbraw/zinc/56/43/35/495564335.db2.gz DSGCKJALTMDTFD-UHFFFAOYSA-N -1 3 373.409 3.306 20 0 FGADHM Cc1cc(CN2C[C@@H](c3ccc(Br)cc3)[C@H](C(=O)[O-])C2)on1 ZINC000580574645 505789660 /nfs/dbraw/zinc/78/96/60/505789660.db2.gz FVZFZCVZWXJRGD-LSDHHAIUSA-N -1 3 365.227 3.046 20 0 FGADHM O=S(=O)([N-][C@@H]1[C@H]2Cc3ccccc3[C@@H]12)c1ccccc1C(F)(F)F ZINC000154326826 495582175 /nfs/dbraw/zinc/58/21/75/495582175.db2.gz SNDMNPFVDGUOBL-APHBMKBZSA-N -1 3 353.365 3.322 20 0 FGADHM O=C(CCCCC(=O)NOCc1ccccc1)[N-]OCc1ccccc1 ZINC000149391370 495594133 /nfs/dbraw/zinc/59/41/33/495594133.db2.gz GRIDCAQNIGZLML-UHFFFAOYSA-N -1 3 356.422 3.043 20 0 FGADHM Cc1noc(C)c1[C@H](C)C[N-]S(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000158813193 495594547 /nfs/dbraw/zinc/59/45/47/495594547.db2.gz PBRSLJPYDFCBSQ-SECBINFHSA-N -1 3 360.838 3.474 20 0 FGADHM CCOc1cccnc1C(=O)[N-]c1nnc(Cc2ccc(F)cc2)s1 ZINC000176327694 495602926 /nfs/dbraw/zinc/60/29/26/495602926.db2.gz QJRXEYQVTZUEBQ-UHFFFAOYSA-N -1 3 358.398 3.314 20 0 FGADHM CCOCCCC[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000170787864 495605859 /nfs/dbraw/zinc/60/58/59/495605859.db2.gz PWBZYKRFTCBHAY-UHFFFAOYSA-N -1 3 370.696 3.198 20 0 FGADHM O=C(/C=C/c1cncc([O-])c1)Nc1ccc(-c2nnc3n2CCCC3)cc1 ZINC000179488870 495611612 /nfs/dbraw/zinc/61/16/12/495611612.db2.gz YKKJVZAEZFTYES-RUDMXATFSA-N -1 3 361.405 3.034 20 0 FGADHM CC(=O)N(Cc1ccc(NC([O-])=NOCc2cccnc2)cc1)C(C)C ZINC000185543299 495615925 /nfs/dbraw/zinc/61/59/25/495615925.db2.gz RJPVUEKLYWGUGP-UHFFFAOYSA-N -1 3 356.426 3.092 20 0 FGADHM CC(=O)N(Cc1ccc(NC(=O)[N-]OCc2cccnc2)cc1)C(C)C ZINC000185543299 495615931 /nfs/dbraw/zinc/61/59/31/495615931.db2.gz RJPVUEKLYWGUGP-UHFFFAOYSA-N -1 3 356.426 3.092 20 0 FGADHM Cc1cc(Cl)cc(NC(=O)c2c[nH]c(=O)c(Br)c2)c1[O-] ZINC000173647648 495631903 /nfs/dbraw/zinc/63/19/03/495631903.db2.gz YFEPDWKONVYMFU-UHFFFAOYSA-N -1 3 357.591 3.057 20 0 FGADHM Cc1cccc([O-])c1NC(=O)c1nn(CC(C)C)c(=O)c2ccccc21 ZINC000179544355 495634110 /nfs/dbraw/zinc/63/41/10/495634110.db2.gz JVTNEVLDFKFBHR-UHFFFAOYSA-N -1 3 351.406 3.319 20 0 FGADHM O=S(=O)(Cc1c(F)cccc1F)[N-][C@@H](c1ccccc1)[C@@H]1CCCO1 ZINC000179541744 495634175 /nfs/dbraw/zinc/63/41/75/495634175.db2.gz ITJNDCPQWHAXIW-ROUUACIJSA-N -1 3 367.417 3.305 20 0 FGADHM CCOC(=O)c1ccsc1[N-]C(=O)C(=O)N1C[C@@H](C)[C@H]1c1ccccc1 ZINC000173675025 495644324 /nfs/dbraw/zinc/64/43/24/495644324.db2.gz MORQSQWVGSPJQX-DOMZBBRYSA-N -1 3 372.446 3.083 20 0 FGADHM O=C(Nc1cccc([N-]S(=O)(=O)C[C@H]2CCCCO2)c1)c1ccccc1 ZINC000150845268 495653746 /nfs/dbraw/zinc/65/37/46/495653746.db2.gz VGCDXWRROLFACM-GOSISDBHSA-N -1 3 374.462 3.250 20 0 FGADHM CCCS(=O)(=O)c1ccccc1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000179640523 495671886 /nfs/dbraw/zinc/67/18/86/495671886.db2.gz XRADMGDIVLMUDS-UHFFFAOYSA-N -1 3 353.827 3.482 20 0 FGADHM COc1ccc2c(c1)[C@H](Nc1ccc(OC)c([N-]S(C)(=O)=O)c1)CC2 ZINC000182732313 495680419 /nfs/dbraw/zinc/68/04/19/495680419.db2.gz CZQQLAMWEISZGD-MRXNPFEDSA-N -1 3 362.451 3.175 20 0 FGADHM O=C(c1cccc2[n-]nnc21)N(Cc1ccccc1)CC1CCOCC1 ZINC000182771338 495696592 /nfs/dbraw/zinc/69/65/92/495696592.db2.gz CESJDPTZBPIQFO-UHFFFAOYSA-N -1 3 350.422 3.027 20 0 FGADHM O=C(c1cccc2nn[n-]c21)N(Cc1ccccc1)CC1CCOCC1 ZINC000182771338 495696595 /nfs/dbraw/zinc/69/65/95/495696595.db2.gz CESJDPTZBPIQFO-UHFFFAOYSA-N -1 3 350.422 3.027 20 0 FGADHM O=C(c1cccc2n[n-]nc21)N(Cc1ccccc1)CC1CCOCC1 ZINC000182771338 495696600 /nfs/dbraw/zinc/69/66/00/495696600.db2.gz CESJDPTZBPIQFO-UHFFFAOYSA-N -1 3 350.422 3.027 20 0 FGADHM CCc1cnc(C[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)s1 ZINC000173813660 495703609 /nfs/dbraw/zinc/70/36/09/495703609.db2.gz QOAMNAXBAPYSIL-UHFFFAOYSA-N -1 3 368.377 3.342 20 0 FGADHM Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)c2cccc3nn[n-]c32)cc1 ZINC000182790673 495703941 /nfs/dbraw/zinc/70/39/41/495703941.db2.gz JEPSRMHHVBXBTQ-KXBFYZLASA-N -1 3 350.422 3.164 20 0 FGADHM Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)c2cccc3[n-]nnc32)cc1 ZINC000182790673 495703944 /nfs/dbraw/zinc/70/39/44/495703944.db2.gz JEPSRMHHVBXBTQ-KXBFYZLASA-N -1 3 350.422 3.164 20 0 FGADHM Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)c2cccc3n[n-]nc32)cc1 ZINC000182790673 495703945 /nfs/dbraw/zinc/70/39/45/495703945.db2.gz JEPSRMHHVBXBTQ-KXBFYZLASA-N -1 3 350.422 3.164 20 0 FGADHM Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)c2cccc3nn[n-]c32)cc1 ZINC000182790653 495703988 /nfs/dbraw/zinc/70/39/88/495703988.db2.gz JEPSRMHHVBXBTQ-HNAYVOBHSA-N -1 3 350.422 3.164 20 0 FGADHM Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)c2cccc3[n-]nnc32)cc1 ZINC000182790653 495703991 /nfs/dbraw/zinc/70/39/91/495703991.db2.gz JEPSRMHHVBXBTQ-HNAYVOBHSA-N -1 3 350.422 3.164 20 0 FGADHM Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)c2cccc3n[n-]nc32)cc1 ZINC000182790653 495703992 /nfs/dbraw/zinc/70/39/92/495703992.db2.gz JEPSRMHHVBXBTQ-HNAYVOBHSA-N -1 3 350.422 3.164 20 0 FGADHM Cc1c(Br)scc1C(=O)Nc1cc(-c2nccn2C)[n-]n1 ZINC000185799342 495729358 /nfs/dbraw/zinc/72/93/58/495729358.db2.gz QDZXYRKHAIPCCI-UHFFFAOYSA-N -1 3 366.244 3.195 20 0 FGADHM Cc1c(Br)scc1C(=O)Nc1cc(-c2nccn2C)n[n-]1 ZINC000185799342 495729362 /nfs/dbraw/zinc/72/93/62/495729362.db2.gz QDZXYRKHAIPCCI-UHFFFAOYSA-N -1 3 366.244 3.195 20 0 FGADHM COc1cccc(C(=O)NCCc2coc(-c3ccc(C)cc3)n2)c1[O-] ZINC000171119308 495732191 /nfs/dbraw/zinc/73/21/91/495732191.db2.gz NJJBEXYYJYLWMV-UHFFFAOYSA-N -1 3 352.390 3.337 20 0 FGADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000179802737 495738855 /nfs/dbraw/zinc/73/88/55/495738855.db2.gz GBMOEUJBIHVYLN-MSOLQXFVSA-N -1 3 366.417 3.068 20 0 FGADHM Cc1ccc(F)c([N-]S(=O)(=O)c2cc3c(cc2Cl)OCCO3)c1 ZINC000171179939 495758008 /nfs/dbraw/zinc/75/80/08/495758008.db2.gz RHKICXHCFINNQN-UHFFFAOYSA-N -1 3 357.790 3.360 20 0 FGADHM COc1cccc2c(C(=O)Nc3ncc(-c4cccnc4)s3)[n-]nc21 ZINC000574559915 505801901 /nfs/dbraw/zinc/80/19/01/505801901.db2.gz MEFLMUQCCGYELA-UHFFFAOYSA-N -1 3 351.391 3.342 20 0 FGADHM COc1cccc2c(C(=O)Nc3ncc(-c4cccnc4)s3)n[n-]c21 ZINC000574559915 505801903 /nfs/dbraw/zinc/80/19/03/505801903.db2.gz MEFLMUQCCGYELA-UHFFFAOYSA-N -1 3 351.391 3.342 20 0 FGADHM O=C(c1ccn(-c2c(F)cccc2F)n1)N1CCCc2cccc([O-])c21 ZINC000182944285 495769107 /nfs/dbraw/zinc/76/91/07/495769107.db2.gz HAVJKYBCHJWDGA-UHFFFAOYSA-N -1 3 355.344 3.449 20 0 FGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)c2cc(Cl)ccc2F)c1 ZINC000173971162 495769253 /nfs/dbraw/zinc/76/92/53/495769253.db2.gz 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ZINC000154973755 495790164 /nfs/dbraw/zinc/79/01/64/495790164.db2.gz XUDMBKUYMMMHJE-UHFFFAOYSA-N -1 3 361.195 3.495 20 0 FGADHM Cc1cc(C)c(-c2cc(=NC(=O)Cn3cnc4c3CCCC4)[nH][n-]2)cc1C ZINC000580640055 505804073 /nfs/dbraw/zinc/80/40/73/505804073.db2.gz PHFOYZFWWJAQGA-UHFFFAOYSA-N -1 3 363.465 3.138 20 0 FGADHM CC[C@H](C)CN(CC)C(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000183025903 495803298 /nfs/dbraw/zinc/80/32/98/495803298.db2.gz ITVRCFIVOSFYHV-LBPRGKRZSA-N -1 3 359.426 3.449 20 0 FGADHM CN(C)C(=O)Nc1ccc(Cl)c(C(=O)NCc2ccc([O-])c(F)c2)c1 ZINC000151377915 495819863 /nfs/dbraw/zinc/81/98/63/495819863.db2.gz WKTVSHKKOZYNBI-UHFFFAOYSA-N -1 3 365.792 3.208 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N(C)[C@@H](C)C2(C)CC2)c1 ZINC000183073157 495823039 /nfs/dbraw/zinc/82/30/39/495823039.db2.gz KJYQNZRIDOQEEK-LBPRGKRZSA-N -1 3 357.410 3.202 20 0 FGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H](CC(C)(C)C)C(F)(F)F ZINC000183071588 495823761 /nfs/dbraw/zinc/82/37/61/495823761.db2.gz XVWONRYZKGTEIT-SNVBAGLBSA-N -1 3 361.408 3.473 20 0 FGADHM O=C(C[C@H]1CSCCS1)NCc1ccc([O-])c(Br)c1 ZINC000151396506 495825925 /nfs/dbraw/zinc/82/59/25/495825925.db2.gz HBBSTJAEXRWIFQ-JTQLQIEISA-N -1 3 362.314 3.010 20 0 FGADHM CCC1(CC)CN(C(=O)c2c[n-]c3c(C)cccc3c2=O)CC[S@]1=O ZINC000186055533 495839438 /nfs/dbraw/zinc/83/94/38/495839438.db2.gz DNNDKHATSIRCCM-RUZDIDTESA-N -1 3 360.479 3.012 20 0 FGADHM Cc1cc(Br)ccc1CSc1nc2n[nH]cc2c(=O)[n-]1 ZINC000183143652 495852763 /nfs/dbraw/zinc/85/27/63/495852763.db2.gz RHWYOJCQUPIMQW-UHFFFAOYSA-N -1 3 351.229 3.009 20 0 FGADHM O=C(Cc1ccc(F)c(F)c1)NCc1ccc([O-])c(Br)c1 ZINC000151543251 495872185 /nfs/dbraw/zinc/87/21/85/495872185.db2.gz UJEWFPSVCSBPRD-UHFFFAOYSA-N -1 3 356.166 3.292 20 0 FGADHM Cc1cc(C(=O)[N-]c2nc(C)no2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000180140620 495876090 /nfs/dbraw/zinc/87/60/90/495876090.db2.gz SXYDCEZALMVQLK-UHFFFAOYSA-N -1 3 352.181 3.431 20 0 FGADHM O=C(c1ccc2c(c1)C(=O)[N-]C2=O)N1CCC[C@H]1c1ccc(Cl)cc1 ZINC000171448444 495879236 /nfs/dbraw/zinc/87/92/36/495879236.db2.gz LDOUYGCYQOFJSS-INIZCTEOSA-N -1 3 354.793 3.201 20 0 FGADHM O=S(=O)([N-]CCC[C@H]1CCCCO1)c1cc(C(F)(F)F)ccc1F ZINC000186164822 495879994 /nfs/dbraw/zinc/87/99/94/495879994.db2.gz YBFWIAAKXZGEIW-GFCCVEGCSA-N -1 3 369.380 3.472 20 0 FGADHM COCCCN(Cc1ccncc1)C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000186165220 495880380 /nfs/dbraw/zinc/88/03/80/495880380.db2.gz MFJZIXXXZBBDLA-UHFFFAOYSA-N -1 3 354.450 3.345 20 0 FGADHM C[C@@H](CC(=O)Nc1nnc(C(F)(F)F)[n-]1)C(=O)c1ccc(Cl)cc1 ZINC000180152325 495881171 /nfs/dbraw/zinc/88/11/71/495881171.db2.gz LOLSAXBEXVAHFC-ZETCQYMHSA-N -1 3 360.723 3.325 20 0 FGADHM C[C@@H](CC(=O)Nc1nc(C(F)(F)F)n[n-]1)C(=O)c1ccc(Cl)cc1 ZINC000180152325 495881177 /nfs/dbraw/zinc/88/11/77/495881177.db2.gz LOLSAXBEXVAHFC-ZETCQYMHSA-N -1 3 360.723 3.325 20 0 FGADHM O=S(=O)([N-]CCC[C@H]1CCCCO1)c1ccc(F)cc1C(F)(F)F ZINC000186170146 495882321 /nfs/dbraw/zinc/88/23/21/495882321.db2.gz IYQMCGKBMHXFKP-GFCCVEGCSA-N -1 3 369.380 3.472 20 0 FGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000186174992 495884926 /nfs/dbraw/zinc/88/49/26/495884926.db2.gz WDUMPRONIAWPKT-CYBMUJFWSA-N -1 3 361.891 3.365 20 0 FGADHM Cc1ccc(F)c(S(=O)(=O)[N-]Cc2ncc(-c3ccccc3)cn2)c1 ZINC000186176314 495884961 /nfs/dbraw/zinc/88/49/61/495884961.db2.gz PUHZUOGZIZQPSO-UHFFFAOYSA-N -1 3 357.410 3.070 20 0 FGADHM CCCCn1cc(C(=O)NCc2ccc([O-])c(Br)c2)c(C)n1 ZINC000186179826 495887344 /nfs/dbraw/zinc/88/73/44/495887344.db2.gz PYQSOWPHWKYJTN-UHFFFAOYSA-N -1 3 366.259 3.390 20 0 FGADHM C[C@@H](C(=O)NCc1ccc([O-])c(Br)c1)N1CCCCCC1 ZINC000151594498 495889067 /nfs/dbraw/zinc/88/90/67/495889067.db2.gz SAMDKVYRPCCAAB-LBPRGKRZSA-N -1 3 355.276 3.035 20 0 FGADHM O=S(=O)(Cc1cc(Cl)cc(Cl)c1)[N-]Cc1cnc(C2CC2)o1 ZINC000574605000 505811410 /nfs/dbraw/zinc/81/14/10/505811410.db2.gz CJHSQAJQEFAYMW-UHFFFAOYSA-N -1 3 361.250 3.478 20 0 FGADHM CCOC(=O)c1cc(NC(=O)C[C@@H](C)C(=O)c2ccc(Cl)cc2)n[n-]1 ZINC000183284583 495915869 /nfs/dbraw/zinc/91/58/69/495915869.db2.gz VQGMGVYRZCBZLI-SNVBAGLBSA-N -1 3 363.801 3.087 20 0 FGADHM CCOC(=O)c1cc(NC(=O)C[C@@H](C)C(=O)c2ccc(Cl)cc2)[n-]n1 ZINC000183284583 495915870 /nfs/dbraw/zinc/91/58/70/495915870.db2.gz VQGMGVYRZCBZLI-SNVBAGLBSA-N -1 3 363.801 3.087 20 0 FGADHM Cc1ccccc1[C@H](CC(=O)N1CC[C@@H](C)c2cccc([O-])c21)NC(N)=O ZINC000186279473 495926784 /nfs/dbraw/zinc/92/67/84/495926784.db2.gz AYUVIRPRRKUJAL-PBHICJAKSA-N -1 3 367.449 3.341 20 0 FGADHM C[C@H]1CCN(C(=O)[C@H]2CN(Cc3ccccc3)CCO2)c2c([O-])cccc21 ZINC000186294548 495932608 /nfs/dbraw/zinc/93/26/08/495932608.db2.gz OFZWQMPBJNURMI-OXJNMPFZSA-N -1 3 366.461 3.133 20 0 FGADHM C[C@H]1CCN(C(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)c2c([O-])cccc21 ZINC000186301261 495936596 /nfs/dbraw/zinc/93/65/96/495936596.db2.gz HZJKNYHCIQBHFK-NHYWBVRUSA-N -1 3 354.381 3.498 20 0 FGADHM C[C@H]1CCN(C(=O)C[C@H](NC(N)=O)c2cccs2)c2c([O-])cccc21 ZINC000186313995 495942919 /nfs/dbraw/zinc/94/29/19/495942919.db2.gz JIWSHEAHYQRSTH-AAEUAGOBSA-N -1 3 359.451 3.094 20 0 FGADHM CC(=O)N1CCc2cc(C(=O)N3CC[C@@H](C)c4cccc([O-])c43)ccc21 ZINC000186313679 495943324 /nfs/dbraw/zinc/94/33/24/495943324.db2.gz MIFSAYIXTALMMY-CYBMUJFWSA-N -1 3 350.418 3.455 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)c1ccccc1NCc1cccnc1 ZINC000177170392 495957688 /nfs/dbraw/zinc/95/76/88/495957688.db2.gz RKXHCYUJDHBXLT-UHFFFAOYSA-N -1 3 351.381 3.468 20 0 FGADHM CC(C)Cn1cnc(S(=O)(=O)[N-]c2c(F)c(F)c(F)c(F)c2F)c1 ZINC000183391233 495960324 /nfs/dbraw/zinc/96/03/24/495960324.db2.gz JBFLIQVCKVEBTB-UHFFFAOYSA-N -1 3 369.315 3.035 20 0 FGADHM CS(=O)(=O)c1cc(C(=O)[N-]c2c(F)cc(Cl)cc2F)cs1 ZINC000180358520 495965520 /nfs/dbraw/zinc/96/55/20/495965520.db2.gz KWQBDLUCJQVFPA-UHFFFAOYSA-N -1 3 351.783 3.336 20 0 FGADHM CS(=O)(=O)CCc1ccc(NC(=O)c2ccc3c(c2[O-])CCCC3)cc1 ZINC000183400311 495967016 /nfs/dbraw/zinc/96/70/16/495967016.db2.gz ZBVNJJAGBUITGP-UHFFFAOYSA-N -1 3 373.474 3.110 20 0 FGADHM CCN(Cc1cnn(C)c1)Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000171655695 495975201 /nfs/dbraw/zinc/97/52/01/495975201.db2.gz 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CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-][C@@H](CC)c1cccs1 ZINC000180600211 496062500 /nfs/dbraw/zinc/06/25/00/496062500.db2.gz KUPHNVHTZONGRH-JTQLQIEISA-N -1 3 357.453 3.120 20 0 FGADHM COc1ccc([O-])c(C(=O)N[C@H](c2noc(C)n2)c2ccc(Cl)cc2)c1 ZINC000180600982 496063417 /nfs/dbraw/zinc/06/34/17/496063417.db2.gz BXIMRRKDJVJYBV-INIZCTEOSA-N -1 3 373.796 3.265 20 0 FGADHM O=C([O-])CCN(Cc1coc(-c2ccc(F)c(F)c2)n1)C1CCOCC1 ZINC000580713857 505821050 /nfs/dbraw/zinc/82/10/50/505821050.db2.gz MUWJQVPJAFCAMV-UHFFFAOYSA-N -1 3 366.364 3.076 20 0 FGADHM COCCOc1ccc(C(=O)Nc2n[n-]c(-c3ccccc3Cl)n2)cc1 ZINC000171863646 496068324 /nfs/dbraw/zinc/06/83/24/496068324.db2.gz XSKXXUCWXPWJIP-UHFFFAOYSA-N -1 3 372.812 3.403 20 0 FGADHM O=S(=O)([N-]c1c(F)c(F)cc(F)c1F)c1cnn(-c2ccccc2)c1 ZINC000160991720 496081121 /nfs/dbraw/zinc/08/11/21/496081121.db2.gz KCFXWDGGZWJWHK-UHFFFAOYSA-N -1 3 371.315 3.230 20 0 FGADHM CC(C)(C)C[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000186644019 496087153 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/nfs/dbraw/zinc/52/94/21/496529421.db2.gz OXXGAJDZDZXZEA-GFCCVEGCSA-N -1 3 365.315 3.117 20 0 FGADHM CCCC[C@@H](NC(=O)NCC)C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000153668764 496537963 /nfs/dbraw/zinc/53/79/63/496537963.db2.gz LDZAADSEPBEIAR-GFCCVEGCSA-N -1 3 361.364 3.227 20 0 FGADHM O=C(NC[C@H]1CCC[C@@H](O)C1)c1cc(OCc2ccccc2)ccc1[O-] ZINC000175773310 496539543 /nfs/dbraw/zinc/53/95/43/496539543.db2.gz LNQGOPRNPGFDBO-DLBZAZTESA-N -1 3 355.434 3.252 20 0 FGADHM COc1cc(C(=O)N2CCC(Nc3ccccc3F)CC2)cc(OC)c1[O-] ZINC000163657051 496543726 /nfs/dbraw/zinc/54/37/26/496543726.db2.gz RQHAYJDQTRPXNB-UHFFFAOYSA-N -1 3 374.412 3.265 20 0 FGADHM CC(C)n1cnc(S(=O)(=O)[N-]Cc2ccc(-c3cccnc3)cc2)c1 ZINC000153696101 496549038 /nfs/dbraw/zinc/54/90/38/496549038.db2.gz CYMLMPBOQRQPOF-UHFFFAOYSA-N -1 3 356.451 3.005 20 0 FGADHM Cc1ccccc1O[C@@H]1CCCC[C@H]1NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000571940764 505850852 /nfs/dbraw/zinc/85/08/52/505850852.db2.gz RTHYBTLMDZUBNP-CRAIPNDOSA-N -1 3 367.449 3.488 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)c3ccccc3OC(F)F)[n-]c21 ZINC000157768665 496549945 /nfs/dbraw/zinc/54/99/45/496549945.db2.gz HXKMBWSCVCGOSS-UHFFFAOYSA-N -1 3 361.304 3.203 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccccc3OC(F)F)nc21 ZINC000157768665 496549951 /nfs/dbraw/zinc/54/99/51/496549951.db2.gz HXKMBWSCVCGOSS-UHFFFAOYSA-N -1 3 361.304 3.203 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)N1CCC(c2c[nH]c3ncccc23)CC1 ZINC000163725982 496551091 /nfs/dbraw/zinc/55/10/91/496551091.db2.gz IVUYLKNRDUMYFV-UHFFFAOYSA-N -1 3 368.412 3.497 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)N1CCC(OCC2CCCC2)CC1 ZINC000175804350 496551855 /nfs/dbraw/zinc/55/18/55/496551855.db2.gz VCMPOPXVGHXMRC-UHFFFAOYSA-N -1 3 350.434 3.412 20 0 FGADHM CC(C)n1nccc1NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000153768320 496573646 /nfs/dbraw/zinc/57/36/46/496573646.db2.gz HJGKSUMCAPRHLX-UHFFFAOYSA-N -1 3 353.220 3.254 20 0 FGADHM CCc1cc([N-]S(=O)(=O)c2cc3c4c(c2)CCCN4C(=O)C3)ccc1C ZINC000184899340 496576852 /nfs/dbraw/zinc/57/68/52/496576852.db2.gz VTPJFBVFPDGNFJ-UHFFFAOYSA-N -1 3 370.474 3.194 20 0 FGADHM C[C@H]([N-]S(=O)(=O)CCC(C)(C)C)c1noc(Cc2ccccc2)n1 ZINC000175878488 496584839 /nfs/dbraw/zinc/58/48/39/496584839.db2.gz RMVXSWXZBKJYFS-ZDUSSCGKSA-N -1 3 351.472 3.077 20 0 FGADHM Cc1ccc(-c2nnc(NC(=O)c3cc(F)cc4nc(C)c(C)nc43)[n-]2)o1 ZINC000181888626 496586898 /nfs/dbraw/zinc/58/68/98/496586898.db2.gz IJAQZXCHDPGNQO-UHFFFAOYSA-N -1 3 366.356 3.325 20 0 FGADHM Cc1ccc(-c2n[n-]c(NC(=O)c3cc(F)cc4nc(C)c(C)nc43)n2)o1 ZINC000181888626 496586903 /nfs/dbraw/zinc/58/69/03/496586903.db2.gz IJAQZXCHDPGNQO-UHFFFAOYSA-N -1 3 366.356 3.325 20 0 FGADHM Cc1ccc(-c2nc(NC(=O)c3cc(F)cc4nc(C)c(C)nc43)n[n-]2)o1 ZINC000181888626 496586906 /nfs/dbraw/zinc/58/69/06/496586906.db2.gz IJAQZXCHDPGNQO-UHFFFAOYSA-N -1 3 366.356 3.325 20 0 FGADHM CC[C@@H]([N-]S(=O)(=O)C1=Cc2ccccc2OC1)c1nc(C)cs1 ZINC000187849726 496594909 /nfs/dbraw/zinc/59/49/09/496594909.db2.gz NXRPQVDXYODZCT-CQSZACIVSA-N -1 3 350.465 3.256 20 0 FGADHM CCc1cc(=O)[n-]c(CN2CCO[C@@H](c3ccc(F)cc3Cl)C2)n1 ZINC000187856459 496596913 /nfs/dbraw/zinc/59/69/13/496596913.db2.gz NQTCTCUDTKPLPU-OAHLLOKOSA-N -1 3 351.809 3.111 20 0 FGADHM Cc1nc(C[N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)sc1C ZINC000173227782 496602501 /nfs/dbraw/zinc/60/25/01/496602501.db2.gz BIHGMWANCOKQEA-UHFFFAOYSA-N -1 3 350.387 3.257 20 0 FGADHM O=C(c1ccn(-c2ccc(F)cc2F)n1)N1CCCc2cccc([O-])c21 ZINC000184987532 496613454 /nfs/dbraw/zinc/61/34/54/496613454.db2.gz LPJXBDAINUZIQJ-UHFFFAOYSA-N -1 3 355.344 3.449 20 0 FGADHM O=C(CCc1ncc(-c2ccccc2Cl)o1)[N-]OC[C@@H]1CCOC1 ZINC000187962672 496633157 /nfs/dbraw/zinc/63/31/57/496633157.db2.gz FTAXKXBDTDOSEV-GFCCVEGCSA-N -1 3 350.802 3.012 20 0 FGADHM CCCC[C@H](CCC)NC(=O)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000175990688 496633739 /nfs/dbraw/zinc/63/37/39/496633739.db2.gz RXZZITKZRGVFQO-KRWDZBQOSA-N -1 3 361.486 3.219 20 0 FGADHM C[C@@H](NC(=O)NCc1ccc([O-])c(F)c1)c1nc(-c2ccc(F)cc2)no1 ZINC000158168127 496642663 /nfs/dbraw/zinc/64/26/63/496642663.db2.gz LTSQWKJHHOGHAN-SNVBAGLBSA-N -1 3 374.347 3.281 20 0 FGADHM Cc1cc(C)c2[n-]cc(C(=O)N3CC[C@@]4(O)CCCC[C@@H]4C3)c(=O)c2c1 ZINC000165021695 496644984 /nfs/dbraw/zinc/64/49/84/496644984.db2.gz JCWWRYZGSIGNAA-VFNWGFHPSA-N -1 3 354.450 3.324 20 0 FGADHM O=C(NCC1(c2cccc(Br)c2)CC1)c1cccc2nn[n-]c21 ZINC000188004102 496647985 /nfs/dbraw/zinc/64/79/85/496647985.db2.gz OPBIVRKWIBHVMS-UHFFFAOYSA-N -1 3 371.238 3.182 20 0 FGADHM O=C(NCC1(c2cccc(Br)c2)CC1)c1cccc2[n-]nnc21 ZINC000188004102 496647991 /nfs/dbraw/zinc/64/79/91/496647991.db2.gz OPBIVRKWIBHVMS-UHFFFAOYSA-N -1 3 371.238 3.182 20 0 FGADHM O=C(NCC1(c2cccc(Br)c2)CC1)c1cccc2n[n-]nc21 ZINC000188004102 496647994 /nfs/dbraw/zinc/64/79/94/496647994.db2.gz OPBIVRKWIBHVMS-UHFFFAOYSA-N -1 3 371.238 3.182 20 0 FGADHM CCN=c1[n-]c(C(=O)N(CCc2ccccc2)Cc2cccnc2)cs1 ZINC000578082450 505857606 /nfs/dbraw/zinc/85/76/06/505857606.db2.gz QSKOJFAEGMKJLW-UHFFFAOYSA-N -1 3 366.490 3.277 20 0 FGADHM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)c2cccc3cccnc32)o1 ZINC000173354927 496657179 /nfs/dbraw/zinc/65/71/79/496657179.db2.gz HBEYEVPCVIGGFY-OAHLLOKOSA-N -1 3 360.435 3.056 20 0 FGADHM O=C(N=c1nc2ccc(Cl)cn2[n-]1)c1ccc(CN2CCCCC2)cc1 ZINC000569123397 505858189 /nfs/dbraw/zinc/85/81/89/505858189.db2.gz PRESSYUXHJFJKT-UHFFFAOYSA-N -1 3 369.856 3.043 20 0 FGADHM COc1cc(CC[N-]S(=O)(=O)c2ccc(F)cc2F)ccc1Cl ZINC000578085964 505858397 /nfs/dbraw/zinc/85/83/97/505858397.db2.gz AVXQHGHUTYFPST-UHFFFAOYSA-N -1 3 361.797 3.148 20 0 FGADHM CC[C@@H]1CCc2nc(NC(=O)c3c(C)[n-]c(=O)nc3SC)sc2C1 ZINC000176068759 496669826 /nfs/dbraw/zinc/66/98/26/496669826.db2.gz GRJFFAQGWYACNP-SECBINFHSA-N -1 3 364.496 3.024 20 0 FGADHM Cc1ccc(CN(CCO)C(=O)c2c[n-]c3c(C)cccc3c2=O)cc1 ZINC000166067109 496677015 /nfs/dbraw/zinc/67/70/15/496677015.db2.gz CKRHHTMORGDVLK-UHFFFAOYSA-N -1 3 350.418 3.192 20 0 FGADHM CCc1onc(C)c1[N-]C(=O)c1occc1CS(=O)(=O)c1ccccc1 ZINC000154096489 496682088 /nfs/dbraw/zinc/68/20/88/496682088.db2.gz CUXHDVMBLAEYLO-UHFFFAOYSA-N -1 3 374.418 3.365 20 0 FGADHM O=C([N-]c1nc(-c2cccs2)ns1)c1cc(-n2cccn2)ccn1 ZINC000182147496 496687650 /nfs/dbraw/zinc/68/76/50/496687650.db2.gz QSNNGPHKSXVZRK-UHFFFAOYSA-N -1 3 354.420 3.100 20 0 FGADHM COC(=O)c1cc(S(=O)(=O)[N-][C@@H](C)c2ccc(Cl)cc2)c(C)o1 ZINC000166911190 496695006 /nfs/dbraw/zinc/69/50/06/496695006.db2.gz UALJJBAABIQJHQ-VIFPVBQESA-N -1 3 357.815 3.068 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)CCC(=O)c3ccc(F)cc3)[n-]c21 ZINC000158408988 496695723 /nfs/dbraw/zinc/69/57/23/496695723.db2.gz SMPVMFVJEXIMSF-UHFFFAOYSA-N -1 3 369.352 3.090 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)CCC(=O)c3ccc(F)cc3)nc21 ZINC000158408988 496695728 /nfs/dbraw/zinc/69/57/28/496695728.db2.gz SMPVMFVJEXIMSF-UHFFFAOYSA-N -1 3 369.352 3.090 20 0 FGADHM O=S(=O)([N-][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1cccc2c1N=S=N2 ZINC000167255254 496699159 /nfs/dbraw/zinc/69/91/59/496699159.db2.gz BXBMAFVNUJVZOF-VQISRLSMSA-N -1 3 365.480 3.039 20 0 FGADHM Cc1cc(F)c(S(=O)(=O)[N-][C@H](C)[C@H]2COc3ccccc32)cc1F ZINC000167546017 496702746 /nfs/dbraw/zinc/70/27/46/496702746.db2.gz GMBGTRSJIQXTJL-DGCLKSJQSA-N -1 3 353.390 3.116 20 0 FGADHM CC(C)C[C@H](NC(=O)c1cc(=O)[n-]c(C2CC2)n1)c1nc2ccccc2[nH]1 ZINC000569138150 505860869 /nfs/dbraw/zinc/86/08/69/505860869.db2.gz RIUZZUFWDXXLEY-HNNXBMFYSA-N -1 3 365.437 3.453 20 0 FGADHM CS(=O)(=O)c1ccc(F)c([N-]C(=O)c2cc(F)c(Cl)cc2F)c1 ZINC000179217196 496714683 /nfs/dbraw/zinc/71/46/83/496714683.db2.gz PVBKSVIZLWRLQO-UHFFFAOYSA-N -1 3 363.744 3.413 20 0 FGADHM Cc1cc(C(=O)N2CCSCC2)ccc1NC(=O)c1cccc([O-])c1 ZINC000182285610 496725823 /nfs/dbraw/zinc/72/58/23/496725823.db2.gz PVOJXMRNRCLMDA-UHFFFAOYSA-N -1 3 356.447 3.142 20 0 FGADHM NC(=O)CCSc1ccccc1NC(=O)Cc1ccc([O-])cc1Cl ZINC000182326261 496729733 /nfs/dbraw/zinc/72/97/33/496729733.db2.gz RWXJKGBYTRSWJK-UHFFFAOYSA-N -1 3 364.854 3.194 20 0 FGADHM Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)NCc1ccc([O-])c(F)c1 ZINC000182345992 496730623 /nfs/dbraw/zinc/73/06/23/496730623.db2.gz GRLSNWUEDYGOQL-SECBINFHSA-N -1 3 373.350 3.327 20 0 FGADHM CN(C)CCN(Cc1cccc(O)c1)C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000194888744 496749389 /nfs/dbraw/zinc/74/93/89/496749389.db2.gz ZGCBBXNLIRQUMH-UHFFFAOYSA-N -1 3 366.820 3.094 20 0 FGADHM Cc1nc(C)c(CCC(=O)Nc2ccc(OC(C)C)cc2Cl)c(=O)[n-]1 ZINC000188319345 496750800 /nfs/dbraw/zinc/75/08/00/496750800.db2.gz XUSASJHXBOACGV-UHFFFAOYSA-N -1 3 363.845 3.399 20 0 FGADHM CC(C)OCc1cc(NC(=O)Nc2ccnn2C[C@H]2CCOC2)ccc1[O-] ZINC000569157282 505864939 /nfs/dbraw/zinc/86/49/39/505864939.db2.gz IIGSRODRXYDSJI-CQSZACIVSA-N -1 3 374.441 3.194 20 0 FGADHM COc1ccc(NC([O-])=NOCc2cccnc2)cc1OCC(F)(F)F ZINC000273365417 496784334 /nfs/dbraw/zinc/78/43/34/496784334.db2.gz WXQHOOUNYKAJNR-UHFFFAOYSA-N -1 3 371.315 3.285 20 0 FGADHM COc1ccc(NC(=O)[N-]OCc2cccnc2)cc1OCC(F)(F)F ZINC000273365417 496784338 /nfs/dbraw/zinc/78/43/38/496784338.db2.gz WXQHOOUNYKAJNR-UHFFFAOYSA-N -1 3 371.315 3.285 20 0 FGADHM CCOC(=O)c1nnc(C2CCN(C(=O)Nc3ccc(C)cc3C)CC2)[n-]1 ZINC000277524145 496801565 /nfs/dbraw/zinc/80/15/65/496801565.db2.gz CXODPVZGDSVOBM-UHFFFAOYSA-N -1 3 371.441 3.010 20 0 FGADHM CCOC(=O)c1nc(C2CCN(C(=O)Nc3ccc(C)cc3C)CC2)n[n-]1 ZINC000277524145 496801570 /nfs/dbraw/zinc/80/15/70/496801570.db2.gz CXODPVZGDSVOBM-UHFFFAOYSA-N -1 3 371.441 3.010 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc(C)nnc3CC)c2)n1 ZINC000273445791 496808659 /nfs/dbraw/zinc/80/86/59/496808659.db2.gz CHZMMFDHQRSHHY-UHFFFAOYSA-N -1 3 363.421 3.325 20 0 FGADHM O=S(=O)([N-][C@@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1cc(F)cc(F)c1 ZINC000273509400 496826321 /nfs/dbraw/zinc/82/63/21/496826321.db2.gz LFCAJMFACYDUFD-NVXWUHKLSA-N -1 3 371.380 3.303 20 0 FGADHM CC(C)c1nn(C)c(Cl)c1C(=O)[N-]c1nnc(CC(F)(F)F)s1 ZINC000268968559 496837993 /nfs/dbraw/zinc/83/79/93/496837993.db2.gz LDKXBYNXFBZZOV-UHFFFAOYSA-N -1 3 367.784 3.406 20 0 FGADHM CCOC(C)(C)C[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000188647668 496864707 /nfs/dbraw/zinc/86/47/07/496864707.db2.gz ZXDICAWQKLMHKM-UHFFFAOYSA-N -1 3 359.797 3.452 20 0 FGADHM Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)s1 ZINC000273659205 496866352 /nfs/dbraw/zinc/86/63/52/496866352.db2.gz XQGAJYQINQZMRB-ZCFIWIBFSA-N -1 3 352.268 3.193 20 0 FGADHM COc1ccc2c(c1)[C@@H](C(=O)Nc1cc(C)ccc1[N-]S(C)(=O)=O)CC2 ZINC000277744328 496872956 /nfs/dbraw/zinc/87/29/56/496872956.db2.gz UTPMQTDIYXPATI-HNNXBMFYSA-N -1 3 374.462 3.044 20 0 FGADHM O=S(=O)([N-][C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1)c1ccco1 ZINC000188682621 496874688 /nfs/dbraw/zinc/87/46/88/496874688.db2.gz KCYHOFDMZQGBSK-CQSZACIVSA-N -1 3 372.849 3.015 20 0 FGADHM CC(C)(C)[C@H]([N-]S(C)(=O)=O)C(=O)Nc1cc(Cl)c(F)c(Cl)c1 ZINC000191751707 496877986 /nfs/dbraw/zinc/87/79/86/496877986.db2.gz SQTUSWGGYCLTNN-LLVKDONJSA-N -1 3 371.261 3.035 20 0 FGADHM C[N-]S(=O)(=O)c1cc(-c2nc([C@@H]3CCCc4ccccc43)no2)c(C)o1 ZINC000273704904 496880295 /nfs/dbraw/zinc/88/02/95/496880295.db2.gz JYDOGMADDACWEK-CQSZACIVSA-N -1 3 373.434 3.014 20 0 FGADHM CSc1ccc(Cl)cc1[N-]C(=O)c1ccc(CS(C)(=O)=O)o1 ZINC000195325438 496889580 /nfs/dbraw/zinc/88/95/80/496889580.db2.gz SHTADSFNMJFTAN-UHFFFAOYSA-N -1 3 359.856 3.452 20 0 FGADHM O=C(Cc1c(F)cccc1F)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000269200487 496893385 /nfs/dbraw/zinc/89/33/85/496893385.db2.gz HPLOUMXOVHTRJU-UHFFFAOYSA-N -1 3 374.387 3.090 20 0 FGADHM C[C@@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)Cc1ccc([O-])cc1Cl ZINC000247631287 496896715 /nfs/dbraw/zinc/89/67/15/496896715.db2.gz SUNJBUPJEBMEKE-AUUYWEPGSA-N -1 3 373.884 3.010 20 0 FGADHM C[C@H]([N-]S(C)(=O)=O)c1nc(-c2ccc(OC3CCCCC3)cc2)no1 ZINC000273845121 496930213 /nfs/dbraw/zinc/93/02/13/496930213.db2.gz KZTHPNBRVZSVLO-LBPRGKRZSA-N -1 3 365.455 3.058 20 0 FGADHM COc1ccc(CNC[C@@H](c2ccco2)N(C)C)c(Br)c1[O-] ZINC000273864340 496936197 /nfs/dbraw/zinc/93/61/97/496936197.db2.gz VAQALCHLJGGFBF-LBPRGKRZSA-N -1 3 369.259 3.149 20 0 FGADHM O=S(=O)([N-][C@H]1CCC[C@@H]1CCO)c1ccc(Cl)cc1C(F)(F)F ZINC000188899379 496940156 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Cc1ccc(S(C)(=O)=O)cc1C(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000274391639 497086202 /nfs/dbraw/zinc/08/62/02/497086202.db2.gz PPZORHMNINHYLI-CYBMUJFWSA-N -1 3 359.447 3.258 20 0 FGADHM CCC(=O)c1ccc([O-])c(NC(=O)[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000574925728 505884120 /nfs/dbraw/zinc/88/41/20/505884120.db2.gz KDVFPZGXAWSFKE-QGZVFWFLSA-N -1 3 352.434 3.446 20 0 FGADHM O=C(Nc1ccsc1Cl)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000189381907 497100871 /nfs/dbraw/zinc/10/08/71/497100871.db2.gz IVNVBXHMNDQYPA-UHFFFAOYSA-N -1 3 365.842 3.097 20 0 FGADHM CC1(C[N-]S(=O)(=O)c2ccc(Br)c(F)c2)CCCC1 ZINC000230609788 497106130 /nfs/dbraw/zinc/10/61/30/497106130.db2.gz WEESVCXYBHQODL-UHFFFAOYSA-N -1 3 350.253 3.447 20 0 FGADHM CCOC(=O)c1csc([C@@H]2CCCN2[C@H](C)c2nc(C)cc(=O)[n-]2)n1 ZINC000248795475 497106174 /nfs/dbraw/zinc/10/61/74/497106174.db2.gz YQQTVANIBFZNKV-YPMHNXCESA-N -1 3 362.455 3.022 20 0 FGADHM COC[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(Br)c1)C(C)C ZINC000234714868 497113450 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CC(C)(C)c1nc(=NC(=O)N[C@H](CN)c2ccc3ccccc3c2)s[n-]1 ZINC000580999624 505887920 /nfs/dbraw/zinc/88/79/20/505887920.db2.gz TTZAWYWKTNCYOK-OAHLLOKOSA-N -1 3 369.494 3.232 20 0 FGADHM O=C([N-]OC[C@@H]1CCOC1)Nc1ccc(N2CCc3sccc3C2)cc1 ZINC000189541598 497157015 /nfs/dbraw/zinc/15/70/15/497157015.db2.gz LWOKTZDDVRSHOM-CQSZACIVSA-N -1 3 373.478 3.400 20 0 FGADHM CCN(CC(=O)Nc1ccccc1OC)C(=O)c1ccc(C)c(C)c1[O-] ZINC000270606998 497160171 /nfs/dbraw/zinc/16/01/71/497160171.db2.gz NGKMJTIEYSXHJI-UHFFFAOYSA-N -1 3 356.422 3.118 20 0 FGADHM CC[C@@H]1[C@H](C)CCN1C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000274768548 497160770 /nfs/dbraw/zinc/16/07/70/497160770.db2.gz QTBGNPRHUNYSBS-IUODEOHRSA-N -1 3 369.487 3.109 20 0 FGADHM O=S(=O)([N-][C@H]1CCC[C@@H](F)C1)c1ccc(F)c(Br)c1 ZINC000581009314 505889973 /nfs/dbraw/zinc/88/99/73/505889973.db2.gz UDWLIONOTVQHSY-BDAKNGLRSA-N -1 3 354.216 3.147 20 0 FGADHM CN(C)CCN(CC(=O)[O-])C(=O)c1ccc(CSc2ccccc2)cc1 ZINC000237140577 497196886 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3.088 20 0 FGADHM CC[C@](C)(O)CN(Cc1ccccc1)Cc1nc(=O)c2sccc2[n-]1 ZINC000189717982 497221031 /nfs/dbraw/zinc/22/10/31/497221031.db2.gz PTPPRMLEIXWNIU-IBGZPJMESA-N -1 3 357.479 3.148 20 0 FGADHM C[C@H](C(=O)NC1CCC(C(=O)[O-])CC1)N1CCC(Cc2ccccc2)CC1 ZINC000237405534 497232114 /nfs/dbraw/zinc/23/21/14/497232114.db2.gz RGCMXGHEWMTVIU-PBPGXSGUSA-N -1 3 372.509 3.089 20 0 FGADHM Cn1ccnc1-c1cc(NC(=O)c2ccc(C(F)(F)F)c(F)c2)n[n-]1 ZINC000189760020 497234901 /nfs/dbraw/zinc/23/49/01/497234901.db2.gz DNYMYRKRFMMVGP-UHFFFAOYSA-N -1 3 353.279 3.220 20 0 FGADHM Cn1ccnc1-c1cc(NC(=O)c2ccc(C(F)(F)F)c(F)c2)[n-]n1 ZINC000189760020 497234906 /nfs/dbraw/zinc/23/49/06/497234906.db2.gz DNYMYRKRFMMVGP-UHFFFAOYSA-N -1 3 353.279 3.220 20 0 FGADHM CCc1ccc(C(=O)N2CCC(O)(Cc3cccc(F)c3)CC2)c([O-])c1 ZINC000189837726 497262074 /nfs/dbraw/zinc/26/20/74/497262074.db2.gz QIVKVQIQTJYYSS-UHFFFAOYSA-N -1 3 357.425 3.304 20 0 FGADHM COc1cccc(-c2noc([C@H](C)[N-]S(=O)(=O)C3CCCCC3)n2)c1 ZINC000266260459 497289232 /nfs/dbraw/zinc/28/92/32/497289232.db2.gz DRWGKVRXRZMICZ-LBPRGKRZSA-N -1 3 365.455 3.058 20 0 FGADHM Cc1nnc(Cc2nc(=O)c3c(-c4ccc(C)c(C)c4)csc3[n-]2)n1C ZINC000189926308 497295517 /nfs/dbraw/zinc/29/55/17/497295517.db2.gz DRMLWEATCWZJPU-UHFFFAOYSA-N -1 3 365.462 3.296 20 0 FGADHM CCN(CC)C(=O)[C@@H](C)Sc1n[n-]c(COc2ccc(Cl)cc2)n1 ZINC000253494955 497336081 /nfs/dbraw/zinc/33/60/81/497336081.db2.gz ZKRGEPXGTOXRPD-LLVKDONJSA-N -1 3 368.890 3.386 20 0 FGADHM CCOc1ccc(C(=O)N(C)C)cc1NC(=O)c1cc(C)cc(OC)c1[O-] ZINC000271390896 497337226 /nfs/dbraw/zinc/33/72/26/497337226.db2.gz LYKVYYQENHDLSR-UHFFFAOYSA-N -1 3 372.421 3.062 20 0 FGADHM CC1(C)Cc2ccc(C(=O)NCc3ccncc3C(F)(F)F)c([O-])c2O1 ZINC000572144011 505899989 /nfs/dbraw/zinc/89/99/89/505899989.db2.gz ZXUYHVKUWIQRDJ-UHFFFAOYSA-N -1 3 366.339 3.450 20 0 FGADHM CCCN(CC(=O)[O-])[C@@H](C)c1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3 ZINC000253559685 497342933 /nfs/dbraw/zinc/34/29/33/497342933.db2.gz ABUFDCJIFYAVEH-QWRGUYRKSA-N -1 3 363.483 3.379 20 0 FGADHM 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/nfs/dbraw/zinc/41/10/78/498411078.db2.gz RJFAGYAQEAITIK-MDUILUSMSA-N -1 3 354.450 3.342 20 0 FGADHM Cc1nn(C)c(C)c1[C@@H]1OCC[C@H]1CNC(=O)c1ccc(C(C)C)cc1[O-] ZINC000331663432 498413693 /nfs/dbraw/zinc/41/36/93/498413693.db2.gz WRIQREBXDFICOT-OXJNMPFZSA-N -1 3 371.481 3.374 20 0 FGADHM CCC[C@@]1(CO)CCN(Cc2ccc(OC)c([O-])c2Br)C1 ZINC000290062734 498413655 /nfs/dbraw/zinc/41/36/55/498413655.db2.gz FIKQVGUWPSCGDD-MRXNPFEDSA-N -1 3 358.276 3.148 20 0 FGADHM Cc1ccc2[n-]cc(C(=O)N(C[C@H]3CCCO3)C3CCCC3)c(=O)c2c1 ZINC000581624567 506030771 /nfs/dbraw/zinc/03/07/71/506030771.db2.gz NQSSJJBNZPGSPY-MRXNPFEDSA-N -1 3 354.450 3.400 20 0 FGADHM CC1(CS(=O)(=O)[N-]Cc2noc(-c3cccc(F)c3)n2)CCCCC1 ZINC000331687680 498421671 /nfs/dbraw/zinc/42/16/71/498421671.db2.gz SKZVOFYMVCXUCW-UHFFFAOYSA-N -1 3 367.446 3.266 20 0 FGADHM COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)c2ccc(C(C)C)cc2[O-])C1 ZINC000286518121 498424772 /nfs/dbraw/zinc/42/47/72/498424772.db2.gz XGRFYIQWEPNHQN-INIZCTEOSA-N -1 3 359.344 3.083 20 0 FGADHM COc1ccc([O-])c(C(=O)N2CCC(Oc3cncc(Cl)c3)CC2)c1 ZINC000581635830 506032590 /nfs/dbraw/zinc/03/25/90/506032590.db2.gz WSXNZTMGYQKIDC-UHFFFAOYSA-N -1 3 362.813 3.133 20 0 FGADHM Cc1cn2c(n1)[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1Cl)CCC2 ZINC000331735381 498436884 /nfs/dbraw/zinc/43/68/84/498436884.db2.gz UPPKUQZXUREURM-LLVKDONJSA-N -1 3 374.293 3.354 20 0 FGADHM COc1cc(C(=O)N2CCC[C@H](n3ccnc3C(C)C)C2)cc(OC)c1[O-] ZINC000362075782 498461552 /nfs/dbraw/zinc/46/15/52/498461552.db2.gz FDYKUELKRBYICP-HNNXBMFYSA-N -1 3 373.453 3.207 20 0 FGADHM Cc1nnc([C@H](C)[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C)s1 ZINC000282310016 498462340 /nfs/dbraw/zinc/46/23/40/498462340.db2.gz NHALJWFUGZNLIL-QMMMGPOBSA-N -1 3 365.402 3.213 20 0 FGADHM CCSCCC[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000302334859 498469660 /nfs/dbraw/zinc/46/96/60/498469660.db2.gz IMLUFTFXNDDASQ-UHFFFAOYSA-N -1 3 356.282 3.010 20 0 FGADHM O=S(=O)([N-]CCc1ccco1)c1c(Cl)cccc1Br ZINC000302419254 498481483 /nfs/dbraw/zinc/48/14/83/498481483.db2.gz JPBZMRZCNMYSRM-UHFFFAOYSA-N -1 3 364.648 3.217 20 0 FGADHM COc1cc(C(=O)NCc2ccc(C(C)(F)F)cc2)cc(OC)c1[O-] ZINC000293807873 498496225 /nfs/dbraw/zinc/49/62/25/498496225.db2.gz QGYCYUUKFIHVAH-UHFFFAOYSA-N -1 3 351.349 3.451 20 0 FGADHM CC[C@H](CC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1)c1ccccc1 ZINC000290311028 498505031 /nfs/dbraw/zinc/50/50/31/498505031.db2.gz HFCAWKUFBUQIOK-LSDHHAIUSA-N -1 3 370.415 3.487 20 0 FGADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCCN(c2ccc(F)cc2)CC1 ZINC000362416780 498513376 /nfs/dbraw/zinc/51/33/76/498513376.db2.gz GNXORRLYNRQQGI-UHFFFAOYSA-N -1 3 365.408 3.020 20 0 FGADHM COc1ccc(CN2CC[C@H](O)C23CCCC3)c(Br)c1[O-] ZINC000293880605 498520766 /nfs/dbraw/zinc/52/07/66/498520766.db2.gz JRXGIOLTHJVEDO-ZDUSSCGKSA-N -1 3 356.260 3.043 20 0 FGADHM COCCCO[N-]C(=O)Nc1ccc(N2CCc3sccc3C2)cc1 ZINC000286844755 498526474 /nfs/dbraw/zinc/52/64/74/498526474.db2.gz APMGGDZAQBKSDN-UHFFFAOYSA-N -1 3 361.467 3.400 20 0 FGADHM COc1cccc(C=C2CCN(C(=O)c3cc(F)cc4[n-]nnc43)CC2)c1 ZINC000282536151 498549264 /nfs/dbraw/zinc/54/92/64/498549264.db2.gz QQSHBQVJQIPMGF-UHFFFAOYSA-N -1 3 366.396 3.425 20 0 FGADHM COc1cccc(C=C2CCN(C(=O)c3cc(F)cc4nn[n-]c43)CC2)c1 ZINC000282536151 498549271 /nfs/dbraw/zinc/54/92/71/498549271.db2.gz QQSHBQVJQIPMGF-UHFFFAOYSA-N -1 3 366.396 3.425 20 0 FGADHM COc1cccc(C=C2CCN(C(=O)c3cc(F)cc4n[n-]nc43)CC2)c1 ZINC000282536151 498549277 /nfs/dbraw/zinc/54/92/77/498549277.db2.gz QQSHBQVJQIPMGF-UHFFFAOYSA-N -1 3 366.396 3.425 20 0 FGADHM CCOc1cc(CNc2ccc(N(C)CCO)cc2)cc(Cl)c1[O-] ZINC000297751499 498556265 /nfs/dbraw/zinc/55/62/65/498556265.db2.gz LCNMIBRNLLXFJI-UHFFFAOYSA-N -1 3 350.846 3.485 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F)c1ccc(Cl)cc1 ZINC000294019925 498564141 /nfs/dbraw/zinc/56/41/41/498564141.db2.gz KQQPNBSMNIPTSL-MRVPVSSYSA-N -1 3 367.780 3.132 20 0 FGADHM COc1cccc2c(C(=O)Nc3ccc(N(C(C)=O)C4CC4)cc3)[n-]nc21 ZINC000294036812 498569376 /nfs/dbraw/zinc/56/93/76/498569376.db2.gz FZKGSMPXHXCXMT-UHFFFAOYSA-N -1 3 364.405 3.339 20 0 FGADHM COc1cccc2c(C(=O)Nc3ccc(N(C(C)=O)C4CC4)cc3)n[n-]c21 ZINC000294036812 498569381 /nfs/dbraw/zinc/56/93/81/498569381.db2.gz FZKGSMPXHXCXMT-UHFFFAOYSA-N -1 3 364.405 3.339 20 0 FGADHM Cc1nc(C[N-]S(=O)(=O)c2cc3c(c(Cl)c2)O[C@H](C)C3)sc1C ZINC000332129703 498573601 /nfs/dbraw/zinc/57/36/01/498573601.db2.gz JRQPVNRBWOTVGG-MRVPVSSYSA-N -1 3 372.899 3.215 20 0 FGADHM COC(=O)c1cc([N-]S(=O)(=O)CCc2cccs2)cc2[nH]ccc21 ZINC000572808613 506056399 /nfs/dbraw/zinc/05/63/99/506056399.db2.gz SBBDYMKSQWAFFR-UHFFFAOYSA-N -1 3 364.448 3.000 20 0 FGADHM COC(=O)C1(CS(=O)(=O)[N-]c2ccc(Cl)cc2Cl)CCCC1 ZINC000572808415 506056694 /nfs/dbraw/zinc/05/66/94/506056694.db2.gz HNJIWXIXOWZGTR-UHFFFAOYSA-N -1 3 366.266 3.469 20 0 FGADHM Cc1ccc(CCC(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)c(C)c1 ZINC000290502204 498577652 /nfs/dbraw/zinc/57/76/52/498577652.db2.gz YHMLSPKILZKXRE-HNNXBMFYSA-N -1 3 370.415 3.153 20 0 FGADHM C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2cc([O-])ccc2Cl)C1 ZINC000290558575 498596605 /nfs/dbraw/zinc/59/66/05/498596605.db2.gz WXPHOTUXDNSLQP-NWDGAFQWSA-N -1 3 368.861 3.421 20 0 FGADHM CC[C@H]1CCN1C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000294143816 498601532 /nfs/dbraw/zinc/60/15/32/498601532.db2.gz UUSHALYMPVDRIN-HKUYNNGSSA-N -1 3 352.434 3.264 20 0 FGADHM O=C([N-]c1nnc(C2CCOCC2)s1)c1c(Cl)cncc1Cl ZINC000294173589 498610618 /nfs/dbraw/zinc/61/06/18/498610618.db2.gz MVMUBTNSOPBECP-UHFFFAOYSA-N -1 3 359.238 3.386 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CC(C)(C)[C@H]2C(C)C)c1 ZINC000294186813 498614352 /nfs/dbraw/zinc/61/43/52/498614352.db2.gz WQRHJYKTBSHQKA-QGZVFWFLSA-N -1 3 371.437 3.448 20 0 FGADHM Cn1ncc2c1C[C@@H](C(=O)Nc1cc(Cc3ccccc3)ccc1[O-])CC2 ZINC000282700206 498618039 /nfs/dbraw/zinc/61/80/39/498618039.db2.gz KJTCUGDTHOWSDO-KRWDZBQOSA-N -1 3 361.445 3.460 20 0 FGADHM C[C@H](c1nccs1)N1CCN(C(=O)c2cc([O-])ccc2Cl)CC1 ZINC000290619682 498621830 /nfs/dbraw/zinc/62/18/30/498621830.db2.gz CEDQAQSDQKKPST-LLVKDONJSA-N -1 3 351.859 3.021 20 0 FGADHM [O-]C(=NOC[C@@H]1CCOC1)Nc1ccc(F)cc1OCCC(F)(F)F ZINC000282763213 498644434 /nfs/dbraw/zinc/64/44/34/498644434.db2.gz KSKNRRXUJYHUNF-SNVBAGLBSA-N -1 3 366.311 3.247 20 0 FGADHM O=C([N-]OC[C@@H]1CCOC1)Nc1ccc(F)cc1OCCC(F)(F)F ZINC000282763213 498644443 /nfs/dbraw/zinc/64/44/43/498644443.db2.gz KSKNRRXUJYHUNF-SNVBAGLBSA-N -1 3 366.311 3.247 20 0 FGADHM Cn1cc2c(n1)CCC[C@H]2[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000282851956 498680365 /nfs/dbraw/zinc/68/03/65/498680365.db2.gz XHOYBMGTSCKDOJ-CYBMUJFWSA-N -1 3 360.266 3.083 20 0 FGADHM C[C@H]1CN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)[C@H]1C ZINC000294400888 498683402 /nfs/dbraw/zinc/68/34/02/498683402.db2.gz YPFNKGWYVHRGBP-STQMWFEESA-N -1 3 362.426 3.107 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1ccc(-c2nc(C3CC3)no2)cc1 ZINC000365884632 498687611 /nfs/dbraw/zinc/68/76/11/498687611.db2.gz ONTFCBZHQLHJHF-UHFFFAOYSA-N -1 3 373.376 3.046 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1ccc(-c2nc(C3CC3)no2)cc1 ZINC000365884632 498687617 /nfs/dbraw/zinc/68/76/17/498687617.db2.gz ONTFCBZHQLHJHF-UHFFFAOYSA-N -1 3 373.376 3.046 20 0 FGADHM CCOc1cc(C(=O)[N-]c2ccc(S(=O)(=O)C3CCCC3)cc2)on1 ZINC000298205675 498695154 /nfs/dbraw/zinc/69/51/54/498695154.db2.gz GQEITRZEKQGPDW-UHFFFAOYSA-N -1 3 364.423 3.042 20 0 FGADHM CCOC(=O)c1c(C)c(C(C)=O)sc1[N-]C(=O)c1nc(C)oc1C ZINC000298215553 498697957 /nfs/dbraw/zinc/69/79/57/498697957.db2.gz HQPXMYYYKLQVCS-UHFFFAOYSA-N -1 3 350.396 3.293 20 0 FGADHM Cc1ccc(C(C)(C)C(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)cc1 ZINC000290858071 498703183 /nfs/dbraw/zinc/70/31/83/498703183.db2.gz ABZOLFZYAWRPRF-AWEZNQCLSA-N -1 3 370.415 3.190 20 0 FGADHM Cc1ccc2[n-]cc(C(=O)N3CC[C@H](C)[C@H](n4ccnc4)C3)c(=O)c2c1 ZINC000287307452 498709440 /nfs/dbraw/zinc/70/94/40/498709440.db2.gz LRHSSBZDWRFJNT-KBXCAEBGSA-N -1 3 350.422 3.169 20 0 FGADHM COC(=O)c1ccc(C(=O)Nc2ccc(CNC(=O)OC(C)(C)C)cc2)[n-]1 ZINC000294515823 498716226 /nfs/dbraw/zinc/71/62/26/498716226.db2.gz LGOZKTQDQOCZRG-UHFFFAOYSA-N -1 3 373.409 3.078 20 0 FGADHM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2cc([C@@H]3CCCOC3)n[nH]2)c1C ZINC000572907033 506080407 /nfs/dbraw/zinc/08/04/07/506080407.db2.gz JEVOXYWFEGNPFY-OAHLLOKOSA-N -1 3 363.483 3.338 20 0 FGADHM Cc1c(-c2ccncc2)[n-][nH]c1=NC(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000363255707 498730172 /nfs/dbraw/zinc/73/01/72/498730172.db2.gz BHFQQMKKQXNZKO-UKRRQHHQSA-N -1 3 354.360 3.222 20 0 FGADHM Cc1ccc([C@@H]2CN(C(=O)c3c[n-]c4ccccc4c3=O)CCO2)c(C)c1 ZINC000363262777 498734905 /nfs/dbraw/zinc/73/49/05/498734905.db2.gz JLQLPGOLRLSKBZ-FQEVSTJZSA-N -1 3 362.429 3.359 20 0 FGADHM CCCNC(=O)c1ccc([N-]C(=O)c2cc(OCC)no2)cc1Cl ZINC000294591031 498739998 /nfs/dbraw/zinc/73/99/98/498739998.db2.gz QNKJEKHTVGAPNR-UHFFFAOYSA-N -1 3 351.790 3.119 20 0 FGADHM Cc1cc(C(=O)N2CCOCC2)ccc1NC(=O)c1cc([O-])ccc1Cl ZINC000294615294 498748481 /nfs/dbraw/zinc/74/84/81/498748481.db2.gz POGQOTKVAHBDEU-UHFFFAOYSA-N -1 3 374.824 3.079 20 0 FGADHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)CCC3)c(CN(C)C)c1 ZINC000291018013 498758817 /nfs/dbraw/zinc/75/88/17/498758817.db2.gz WZIULYIQGVLYNC-UHFFFAOYSA-N -1 3 372.490 3.376 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)N1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000287498756 498778094 /nfs/dbraw/zinc/77/80/94/498778094.db2.gz QMOHSYHRDOLZMO-LMMKCTJWSA-N -1 3 370.424 3.245 20 0 FGADHM COc1ccc2c(c1)[n-]cc(C(=O)N1CCCC[C@H]1c1cc[nH]n1)c2=O ZINC000298462786 498779160 /nfs/dbraw/zinc/77/91/60/498779160.db2.gz QTLQCJRUUGHNCQ-KRWDZBQOSA-N -1 3 352.394 3.040 20 0 FGADHM [O-]c1ccc(F)c(CN2CCC[C@H](c3nnc4n3CCCCC4)C2)c1F ZINC000294804916 498811180 /nfs/dbraw/zinc/81/11/80/498811180.db2.gz DPPMOMHVFMSINS-ZDUSSCGKSA-N -1 3 362.424 3.368 20 0 FGADHM CC[C@]1(CNC(=O)c2cc(OC)c([O-])c(OC)c2)OCCc2ccccc21 ZINC000291143505 498813361 /nfs/dbraw/zinc/81/33/61/498813361.db2.gz GHUPEZPGNXSFKB-OAQYLSRUSA-N -1 3 371.433 3.017 20 0 FGADHM CC(C)(C)CCCS(=O)(=O)[N-]C1(c2noc(C(F)F)n2)CCC1 ZINC000366236101 498834217 /nfs/dbraw/zinc/83/42/17/498834217.db2.gz YRILIZWMFIUETF-UHFFFAOYSA-N -1 3 351.419 3.132 20 0 FGADHM O=C(NC[C@@H]1CCCN(C(=O)c2cc([O-])ccc2Cl)C1)c1ccccc1 ZINC000570148881 506102197 /nfs/dbraw/zinc/10/21/97/506102197.db2.gz NDGAFSRXAUCHFJ-AWEZNQCLSA-N -1 3 372.852 3.328 20 0 FGADHM O=C(c1ccccc1[O-])N1CCN(C(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)CC1 ZINC000333018384 498871866 /nfs/dbraw/zinc/87/18/66/498871866.db2.gz CRYCQRUZYCFTGY-FGTMMUONSA-N -1 3 370.493 3.283 20 0 FGADHM CN1CC[C@H]2CCN(C(=O)c3cc(Oc4ccccc4)ccc3[O-])[C@@H]2C1 ZINC000333071624 498889651 /nfs/dbraw/zinc/88/96/51/498889651.db2.gz OVVSBBHBLBMCNH-HNAYVOBHSA-N -1 3 352.434 3.351 20 0 FGADHM O=C(NC1CCCCC1)c1ccc(NC(=O)[C@H]2CCCN2C2CC2)cc1[O-] ZINC000333101514 498899547 /nfs/dbraw/zinc/89/95/47/498899547.db2.gz VJBQNRDYRIOVAG-GOSISDBHSA-N -1 3 371.481 3.020 20 0 FGADHM C[C@H]([N-]S(=O)(=O)[C@H]1C[C@@H]2CC[C@H]1C2)c1nc(C2CCCCC2)no1 ZINC000333114482 498903775 /nfs/dbraw/zinc/90/37/75/498903775.db2.gz FOHSTUNRYIJCMD-NEBZKDRISA-N -1 3 353.488 3.286 20 0 FGADHM O=C(N=c1cc(-c2ccncc2)[n-][nH]1)c1cccc(OCc2cccnc2)c1 ZINC000363627918 498913204 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Cc1nc(-c2cccs2)sc1C(=O)[N-]c1ncn(-c2ccccn2)n1 ZINC000371464779 499330421 /nfs/dbraw/zinc/33/04/21/499330421.db2.gz WODLCZLESLBEJJ-UHFFFAOYSA-N -1 3 368.447 3.408 20 0 FGADHM Cc1cccc(-n2ncc(NC([O-])=NOC[C@H]3CCOC3)c2C(C)C)c1 ZINC000368905052 499345074 /nfs/dbraw/zinc/34/50/74/499345074.db2.gz MSYONGBSLHRNOU-HNNXBMFYSA-N -1 3 358.442 3.394 20 0 FGADHM Cc1cccc(-n2ncc(NC(=O)[N-]OC[C@H]3CCOC3)c2C(C)C)c1 ZINC000368905052 499345076 /nfs/dbraw/zinc/34/50/76/499345076.db2.gz MSYONGBSLHRNOU-HNNXBMFYSA-N -1 3 358.442 3.394 20 0 FGADHM O=C(/C=C/c1cncc([O-])c1)N[C@@H](c1ccncc1)c1cc(F)ccc1F ZINC000371617661 499347698 /nfs/dbraw/zinc/34/76/98/499347698.db2.gz YOLRVSLXFXDBNU-DFKDPWMTSA-N -1 3 367.355 3.379 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)N1CC[C@H](n2ncc3ccccc32)C1 ZINC000371649898 499350817 /nfs/dbraw/zinc/35/08/17/499350817.db2.gz IQCKQJYUJYMCDC-HNNXBMFYSA-N -1 3 354.385 3.038 20 0 FGADHM CCc1cc(=O)[n-]c(CN[C@@H](c2cccc(OC)c2)c2ccccn2)n1 ZINC000372166653 499404927 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CCC[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Br)OC ZINC000378687423 499541450 /nfs/dbraw/zinc/54/14/50/499541450.db2.gz FYWIGQDJPARBSM-SECBINFHSA-N -1 3 370.696 3.196 20 0 FGADHM CN(Cc1ccccc1)CC(C)(C)[N-]S(=O)(=O)c1ccccc1F ZINC000379708851 499543419 /nfs/dbraw/zinc/54/34/19/499543419.db2.gz WJLKZNKYRZLXRE-UHFFFAOYSA-N -1 3 350.459 3.015 20 0 FGADHM CCOc1cc(CN2CCC[C@@]23CCOC3)cc(Br)c1[O-] ZINC000386722212 499549109 /nfs/dbraw/zinc/54/91/09/499549109.db2.gz SJYQUUVELXBVCV-INIZCTEOSA-N -1 3 356.260 3.308 20 0 FGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1ccc(F)c(Br)c1 ZINC000389755140 499553007 /nfs/dbraw/zinc/55/30/07/499553007.db2.gz QZJOKAWJYAQVED-UHFFFAOYSA-N -1 3 362.162 3.021 20 0 FGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1ccc(F)c(Br)c1 ZINC000389755140 499553009 /nfs/dbraw/zinc/55/30/09/499553009.db2.gz QZJOKAWJYAQVED-UHFFFAOYSA-N -1 3 362.162 3.021 20 0 FGADHM O=C([O-])CC1(CC(=O)NC[C@H]2CCCN2Cc2ccccc2)CCCC1 ZINC000390539945 499554729 /nfs/dbraw/zinc/55/47/29/499554729.db2.gz LBCZBXPWBCCZCZ-GOSISDBHSA-N -1 3 358.482 3.192 20 0 FGADHM CCC(CC)(CC(=O)NC[C@]1(C)CCCN1Cc1ccccc1)C(=O)[O-] ZINC000397875724 499565200 /nfs/dbraw/zinc/56/52/00/499565200.db2.gz KAFYHGDEJFHEPJ-FQEVSTJZSA-N -1 3 360.498 3.438 20 0 FGADHM CCOC(=O)c1csc(=N[C@H]2CCN(Cc3ccccc3)C[C@H]2C)[n-]1 ZINC000398176114 499567011 /nfs/dbraw/zinc/56/70/11/499567011.db2.gz IYJNSWBVXMVXNV-ZBFHGGJFSA-N -1 3 359.495 3.064 20 0 FGADHM CC[C@H](O)CCC[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000398518867 499567545 /nfs/dbraw/zinc/56/75/45/499567545.db2.gz VEFOEKBZVFMESC-JTQLQIEISA-N -1 3 359.797 3.188 20 0 FGADHM O=C(C1CCN(C(=O)c2cc([O-])c3ccccc3c2)CC1)N1CCCC1 ZINC000408209470 499580355 /nfs/dbraw/zinc/58/03/55/499580355.db2.gz CLSHBXOABQXQSN-UHFFFAOYSA-N -1 3 352.434 3.020 20 0 FGADHM O=C(Nc1ccccc1[O-])C1CCN(c2nc(C(F)(F)F)ns2)CC1 ZINC000376101903 499583029 /nfs/dbraw/zinc/58/30/29/499583029.db2.gz FNMGXTRWZADBRB-UHFFFAOYSA-N -1 3 372.372 3.118 20 0 FGADHM Cc1csc(C[N-]S(=O)(=O)c2cccc(-c3nc(C)cs3)c2)n1 ZINC000409543078 499604964 /nfs/dbraw/zinc/60/49/64/499604964.db2.gz KWIPCZLWVZMUSB-UHFFFAOYSA-N -1 3 365.505 3.362 20 0 FGADHM CN(C(=O)c1cc([O-])c2ccccc2c1)[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000376416149 499607148 /nfs/dbraw/zinc/60/71/48/499607148.db2.gz RCHZFAGLKLCTJH-QGZVFWFLSA-N -1 3 367.426 3.146 20 0 FGADHM O=C(c1cc([O-])c2ccccc2c1)N1CCC(OC[C@@H]2CCOC2)CC1 ZINC000376441441 499608751 /nfs/dbraw/zinc/60/87/51/499608751.db2.gz LNDUFDNRXXIDNM-OAHLLOKOSA-N -1 3 355.434 3.203 20 0 FGADHM O=C(c1cc([O-])c2ccccc2c1)N1CCC(CN2CCCC2=O)CC1 ZINC000376442453 499609066 /nfs/dbraw/zinc/60/90/66/499609066.db2.gz QGVUDGIVHVBLQP-UHFFFAOYSA-N -1 3 352.434 3.020 20 0 FGADHM O=C([O-])[C@H]1[C@@H]2CCCN2CCN1C(=O)N(c1ccccc1)c1ccccc1 ZINC000376639580 499625246 /nfs/dbraw/zinc/62/52/46/499625246.db2.gz CODLTJQCVWFEGI-RBUKOAKNSA-N -1 3 365.433 3.178 20 0 FGADHM C[C@@H](C(=O)NCc1nnc(C(F)(F)F)[n-]1)c1ccc(C(F)(F)F)cc1 ZINC000409954200 499631833 /nfs/dbraw/zinc/63/18/33/499631833.db2.gz VNUIHKVPUKHZIN-SSDOTTSWSA-N -1 3 366.265 3.262 20 0 FGADHM C[C@@H](C(=O)NCc1n[n-]c(C(F)(F)F)n1)c1ccc(C(F)(F)F)cc1 ZINC000409954200 499631835 /nfs/dbraw/zinc/63/18/35/499631835.db2.gz VNUIHKVPUKHZIN-SSDOTTSWSA-N -1 3 366.265 3.262 20 0 FGADHM C[C@@H](C(=O)NCc1nc(C(F)(F)F)n[n-]1)c1ccc(C(F)(F)F)cc1 ZINC000409954200 499631836 /nfs/dbraw/zinc/63/18/36/499631836.db2.gz VNUIHKVPUKHZIN-SSDOTTSWSA-N -1 3 366.265 3.262 20 0 FGADHM CCCN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000409984341 499634001 /nfs/dbraw/zinc/63/40/01/499634001.db2.gz CIOMNPSQYSHQGE-UHFFFAOYSA-N -1 3 350.415 3.109 20 0 FGADHM O=C(c1cc([O-])c2ccccc2c1)N1CCn2c(nnc2-c2ccccc2)C1 ZINC000376816871 499636860 /nfs/dbraw/zinc/63/68/60/499636860.db2.gz WUTJRQIZABFMED-UHFFFAOYSA-N -1 3 370.412 3.460 20 0 FGADHM CCc1cc(=O)[n-]c(CN[C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)n1 ZINC000376840317 499639811 /nfs/dbraw/zinc/63/98/11/499639811.db2.gz COGJDYKVVNUBJJ-JTQLQIEISA-N -1 3 359.817 3.299 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)c2cccc(Br)c2)c1-c1ccncc1 ZINC000377027355 499655066 /nfs/dbraw/zinc/65/50/66/499655066.db2.gz ZHRVHNQLWAQLDZ-UHFFFAOYSA-N -1 3 357.211 3.217 20 0 FGADHM CCc1onc(-c2ccccc2)c1C(=O)N=c1cc(-c2ccncc2)[n-][nH]1 ZINC000377087349 499660628 /nfs/dbraw/zinc/66/06/28/499660628.db2.gz WWQWGOVHROGZKP-UHFFFAOYSA-N -1 3 359.389 3.363 20 0 FGADHM Cc1cccc(NC(=O)N2CCC(C(=O)Nc3nc(C)ccc3[O-])CC2)c1 ZINC000377143319 499665848 /nfs/dbraw/zinc/66/58/48/499665848.db2.gz UXAGRCRZDIJXSU-UHFFFAOYSA-N -1 3 368.437 3.287 20 0 FGADHM CCOC(=O)c1nc[n-]c1NC(=O)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000410546023 499667265 /nfs/dbraw/zinc/66/72/65/499667265.db2.gz ZUELSCAELBHQLE-WDEREUQCSA-N -1 3 367.327 3.347 20 0 FGADHM CCOC(=O)c1[n-]cnc1NC(=O)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000410546023 499667267 /nfs/dbraw/zinc/66/72/67/499667267.db2.gz ZUELSCAELBHQLE-WDEREUQCSA-N -1 3 367.327 3.347 20 0 FGADHM CCCCc1nc(C(=O)OCC)c(NC(=O)[C@@H]2C[C@H]2c2cccnc2)[n-]1 ZINC000410757410 499677070 /nfs/dbraw/zinc/67/70/70/499677070.db2.gz ZQBZHWXMDSRCCG-UONOGXRCSA-N -1 3 356.426 3.066 20 0 FGADHM CCCCc1nc(NC(=O)[C@@H]2C[C@H]2c2cccnc2)c(C(=O)OCC)[n-]1 ZINC000410757410 499677071 /nfs/dbraw/zinc/67/70/71/499677071.db2.gz ZQBZHWXMDSRCCG-UONOGXRCSA-N -1 3 356.426 3.066 20 0 FGADHM Cc1c(-c2ccncc2)[n-][nH]c1=NC(=O)c1ccccc1Br ZINC000377371465 499684401 /nfs/dbraw/zinc/68/44/01/499684401.db2.gz CZTPUFMPIIMRJR-UHFFFAOYSA-N -1 3 357.211 3.217 20 0 FGADHM O=S(=O)([N-]c1c(F)cc(F)cc1F)c1cccnc1C(F)(F)F ZINC000576426336 506155016 /nfs/dbraw/zinc/15/50/16/506155016.db2.gz RNAIJIWIVZTTJY-UHFFFAOYSA-N -1 3 356.247 3.319 20 0 FGADHM CC(C)(C)OC(=O)N1CCC(N(C(=O)c2ccccc2[O-])C2CC2)CC1 ZINC000377490186 499696548 /nfs/dbraw/zinc/69/65/48/499696548.db2.gz VWZFFPWVHSRRBD-UHFFFAOYSA-N -1 3 360.454 3.396 20 0 FGADHM O=C([N-]c1nccn1-c1ccccc1)C(=O)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000411134906 499701467 /nfs/dbraw/zinc/70/14/67/499701467.db2.gz KPTUAFYVDPYUMH-YESZJQIVSA-N -1 3 366.465 3.286 20 0 FGADHM Cc1onc(-c2ccncc2)c1C(=O)[N-]c1cc(-c2cncc(C)c2)on1 ZINC000377562476 499705030 /nfs/dbraw/zinc/70/50/30/499705030.db2.gz DYZYIJXBAVJKMH-UHFFFAOYSA-N -1 3 361.361 3.078 20 0 FGADHM CC(=O)c1ccc(C(=O)Nc2cccc(OC[C@H]3CCCO3)c2)cc1[O-] ZINC000411328205 499726372 /nfs/dbraw/zinc/72/63/72/499726372.db2.gz PFJKPJHNOARTOJ-QGZVFWFLSA-N -1 3 355.390 3.405 20 0 FGADHM CC(C)(CNC(=O)C(=O)[N-]c1nccn1-c1ccccc1)C1CCCC1 ZINC000411354035 499728576 /nfs/dbraw/zinc/72/85/76/499728576.db2.gz XLOLEPOZNQIWGW-UHFFFAOYSA-N -1 3 354.454 3.143 20 0 FGADHM Cc1nnc([C@H](NC(=O)c2cc([O-])ccc2Cl)c2ccccc2)n1C ZINC000377751671 499728594 /nfs/dbraw/zinc/72/85/94/499728594.db2.gz XEZJTPOEGCACCC-MRXNPFEDSA-N -1 3 356.813 3.002 20 0 FGADHM C[C@@H]1C[C@H]1c1ccc(CN(C(=O)c2c[n-]c3ccncc3c2=O)C2CC2)o1 ZINC000411385096 499732422 /nfs/dbraw/zinc/73/24/22/499732422.db2.gz IFWFAHZRVALHBI-IUODEOHRSA-N -1 3 363.417 3.444 20 0 FGADHM Cc1noc(C)c1CO[C@@H]1CCN(C(=O)c2cc([O-])ccc2Cl)C1 ZINC000378136600 499760592 /nfs/dbraw/zinc/76/05/92/499760592.db2.gz MGNCZUGUBFPFTG-CYBMUJFWSA-N -1 3 350.802 3.082 20 0 FGADHM C[C@H](C(=O)NC1CCN(C(=O)c2cccc([O-])c2)CC1)c1cccc(F)c1 ZINC000378174247 499762132 /nfs/dbraw/zinc/76/21/32/499762132.db2.gz FJHRSKKXAPOMRG-AWEZNQCLSA-N -1 3 370.424 3.056 20 0 FGADHM O=C(NC1CCN(C(=O)c2cccc([O-])c2)CC1)[C@H]1CC12CCCCC2 ZINC000378177655 499762193 /nfs/dbraw/zinc/76/21/93/499762193.db2.gz WLQKCMBQALZWRB-GOSISDBHSA-N -1 3 356.466 3.083 20 0 FGADHM CC(=O)c1ccc(C(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)cc1[O-] ZINC000411585357 499765954 /nfs/dbraw/zinc/76/59/54/499765954.db2.gz GZHQOOMYZAQBAF-KDOFPFPSSA-N -1 3 352.434 3.160 20 0 FGADHM C[C@]1(CO)CCC[C@@H]1NCc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000411598515 499767476 /nfs/dbraw/zinc/76/74/76/499767476.db2.gz AJWXSKAQMPTDOT-SCLBCKFNSA-N -1 3 359.451 3.298 20 0 FGADHM CS(=O)(=O)c1ccc(-c2nc(=O)c3c4c(sc3[n-]2)CCCC4)s1 ZINC000414202331 499768016 /nfs/dbraw/zinc/76/80/16/499768016.db2.gz YWTVAICEPONOTJ-UHFFFAOYSA-N -1 3 366.489 3.408 20 0 FGADHM COC(=O)[C@H](C)c1cccc([N-]S(=O)(=O)c2ccc(OC)cc2C)c1 ZINC000414399766 499786980 /nfs/dbraw/zinc/78/69/80/499786980.db2.gz VZUVAOCSOGSOER-CYBMUJFWSA-N -1 3 363.435 3.081 20 0 FGADHM CC(=O)c1ccc(C[N-]S(=O)(=O)c2c(C)cccc2Cl)nc1C ZINC000414454846 499794419 /nfs/dbraw/zinc/79/44/19/499794419.db2.gz BDVVLWKGDNHVKM-UHFFFAOYSA-N -1 3 352.843 3.033 20 0 FGADHM CC[C@H](CN[C@@H]1CCN([C@H](C(=O)[O-])c2ccccc2)C1=O)c1ccccc1 ZINC000414649328 499817104 /nfs/dbraw/zinc/81/71/04/499817104.db2.gz DVOCNCIMECBPIL-AHRSYUTCSA-N -1 3 366.461 3.197 20 0 FGADHM CC(C)[C@H](C(=O)[O-])N1CC[C@H](NCc2cc(-c3ccccc3)cs2)C1=O ZINC000414655993 499817672 /nfs/dbraw/zinc/81/76/72/499817672.db2.gz KGNHMCQFTQUSPT-ZWKOTPCHSA-N -1 3 372.490 3.215 20 0 FGADHM O=C([O-])[C@H](c1ccccc1)N1CC[C@@H](NCc2ccc(C3CC3)cc2)C1=O ZINC000414664167 499818347 /nfs/dbraw/zinc/81/83/47/499818347.db2.gz SOQPWOWSUPJHFN-UXHICEINSA-N -1 3 364.445 3.080 20 0 FGADHM CC(=O)c1ccc(C(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)cc1[O-] ZINC000412160675 499829031 /nfs/dbraw/zinc/82/90/31/499829031.db2.gz PAKKAFVCGMUJSP-LJQANCHMSA-N -1 3 366.461 3.331 20 0 FGADHM CC(=O)c1ccc(C(=O)N[C@H]2CCN(C)[C@@H]2c2ccc(Cl)cc2)cc1[O-] ZINC000412215322 499834898 /nfs/dbraw/zinc/83/48/98/499834898.db2.gz HRPCMKPAQQOPST-PKOBYXMFSA-N -1 3 372.852 3.423 20 0 FGADHM CC(=O)c1ccc(C(=O)N[C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)cc1[O-] ZINC000412226771 499836210 /nfs/dbraw/zinc/83/62/10/499836210.db2.gz CPUCCNFVKCIPSK-SJLPKXTDSA-N -1 3 361.344 3.133 20 0 FGADHM CC(C)(C)[C@H]1CCN(C(=O)c2c[n-]c3c(Cl)cccc3c2=O)C[C@H]1O ZINC000412236167 499836940 /nfs/dbraw/zinc/83/69/40/499836940.db2.gz UQSWQXNILKGRQN-DZGCQCFKSA-N -1 3 362.857 3.051 20 0 FGADHM CC(=O)c1ccc(C(=O)N2CC[C@]3(C2)CCc2ccccc2O3)cc1[O-] ZINC000412351199 499847561 /nfs/dbraw/zinc/84/75/61/499847561.db2.gz ANKHIAYGILVAEP-NRFANRHFSA-N -1 3 351.402 3.205 20 0 FGADHM CCN=c1[n-]c(C(=O)N2CCCC[C@H]2c2nc3ccccc3[nH]2)cs1 ZINC000412400895 499852033 /nfs/dbraw/zinc/85/20/33/499852033.db2.gz WNSGPMGPPDXEGQ-HNNXBMFYSA-N -1 3 355.467 3.241 20 0 FGADHM CCN=c1[n-]c(C(=O)N2CCC(Cc3c(F)cccc3F)CC2)cs1 ZINC000412405319 499852250 /nfs/dbraw/zinc/85/22/50/499852250.db2.gz VDPQWGLUXUDYDP-UHFFFAOYSA-N -1 3 365.449 3.370 20 0 FGADHM C[C@H](C(=O)OC(C)(C)C)N(C(=O)Cc1ccc([O-])cc1Cl)C1CC1 ZINC000412509061 499859560 /nfs/dbraw/zinc/85/95/60/499859560.db2.gz OTRSLKFXEVVYNO-LLVKDONJSA-N -1 3 353.846 3.309 20 0 FGADHM CCc1ccc(C(=O)N2CC[C@]3(C2)CC(=O)c2ccccc2O3)c([O-])c1 ZINC000412660135 499873407 /nfs/dbraw/zinc/87/34/07/499873407.db2.gz RUHRXELCSKNXKF-OAQYLSRUSA-N -1 3 351.402 3.205 20 0 FGADHM COc1c(Cl)cc([N-]S(=O)(=O)C[C@H](OC)C2CC2)cc1Cl ZINC000576464249 506164518 /nfs/dbraw/zinc/16/45/18/506164518.db2.gz CYXIZGXCOLLAAU-LBPRGKRZSA-N -1 3 354.255 3.169 20 0 FGADHM COC(=O)[C@@H](Cc1ccc(C)cc1)SCc1cc(=O)[n-]c(C2CC2)n1 ZINC000413008387 499904108 /nfs/dbraw/zinc/90/41/08/499904108.db2.gz XEBYRHKFYKWTBH-MRXNPFEDSA-N -1 3 358.463 3.386 20 0 FGADHM CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1cc(NC(=O)C2CC2)ccc1C ZINC000421153450 499974483 /nfs/dbraw/zinc/97/44/83/499974483.db2.gz LTFTYBRGWYUHFK-MRXNPFEDSA-N -1 3 368.499 3.146 20 0 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/nfs/dbraw/zinc/97/22/69/500972269.db2.gz BVBULBXJEGPZSC-UHFFFAOYSA-N -1 3 363.377 3.463 20 0 FGADHM CCc1ccc(NC(=O)Cc2noc(-c3cc(-c4ccco4)[n-]n3)n2)cc1 ZINC000445313760 500972270 /nfs/dbraw/zinc/97/22/70/500972270.db2.gz BVBULBXJEGPZSC-UHFFFAOYSA-N -1 3 363.377 3.463 20 0 FGADHM CCOc1cccc([C@@H]2C[C@H]2[N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)c1 ZINC000435430905 500974247 /nfs/dbraw/zinc/97/42/47/500974247.db2.gz FUNXZEWITGMJIU-XJKSGUPXSA-N -1 3 371.380 3.337 20 0 FGADHM COc1ccc2c(c1)C=C(c1nc(-c3ccc([O-])c(OC)c3)no1)CO2 ZINC000445416943 500983422 /nfs/dbraw/zinc/98/34/22/500983422.db2.gz KENFFYNVCLZDSZ-UHFFFAOYSA-N -1 3 352.346 3.392 20 0 FGADHM CCOc1cc(-c2noc(-c3ccnc(N4CCCCC4)n3)n2)ccc1[O-] ZINC000445428167 500983858 /nfs/dbraw/zinc/98/38/58/500983858.db2.gz USALGIWMDSQACK-UHFFFAOYSA-N -1 3 367.409 3.288 20 0 FGADHM CCOc1cc(-c2noc(Cc3ccccc3C(=O)OC)n2)ccc1[O-] ZINC000445425076 500984133 /nfs/dbraw/zinc/98/41/33/500984133.db2.gz AOXKKGDDHATJFG-UHFFFAOYSA-N -1 3 354.362 3.218 20 0 FGADHM CCOc1cc(-c2noc(Cn3cc(-c4ccccc4)nn3)n2)ccc1[O-] ZINC000445429197 500984386 /nfs/dbraw/zinc/98/43/86/500984386.db2.gz BJHPRZOQXBOPOD-UHFFFAOYSA-N -1 3 363.377 3.148 20 0 FGADHM COc1cc(-c2nc(-c3cnn(-c4ccccc4)c3)no2)cc(OC)c1[O-] ZINC000445437686 500985678 /nfs/dbraw/zinc/98/56/78/500985678.db2.gz ITAPVUXWIROPRX-UHFFFAOYSA-N -1 3 364.361 3.312 20 0 FGADHM CCc1ccc([O-])c(C(=O)NCCc2ccn(-c3ccc(F)cc3)n2)c1 ZINC000440328326 500997345 /nfs/dbraw/zinc/99/73/45/500997345.db2.gz QIRXWSWJSXMDSQ-UHFFFAOYSA-N -1 3 353.397 3.252 20 0 FGADHM COc1c(F)ccc(F)c1C(=O)[N-]c1cc2c(cc1F)CCC(=O)N2 ZINC000445522759 500997556 /nfs/dbraw/zinc/99/75/56/500997556.db2.gz FTJKIZWYMSDRAF-UHFFFAOYSA-N -1 3 350.296 3.250 20 0 FGADHM CC[C@H](C[N-]S(=O)(=O)c1sc(C)nc1C)Oc1cccc(F)c1 ZINC000440402922 501005642 /nfs/dbraw/zinc/00/56/42/501005642.db2.gz RBSNGWZJOJVJCL-CYBMUJFWSA-N -1 3 358.460 3.035 20 0 FGADHM COc1cccc(O[C@@H](C)C[N-]S(=O)(=O)c2cc(C)c(F)cc2F)c1 ZINC000440404515 501005778 /nfs/dbraw/zinc/00/57/78/501005778.db2.gz ULXMJYGLBXAERE-LBPRGKRZSA-N -1 3 371.405 3.028 20 0 FGADHM Cc1ccc(-c2nc(CC(=O)NCc3cccc(F)c3)no2)c([O-])c1C ZINC000445742287 501027141 /nfs/dbraw/zinc/02/71/41/501027141.db2.gz MXTZXLYYXWUWAX-UHFFFAOYSA-N -1 3 355.369 3.057 20 0 FGADHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-][C@H](C)c1cc(C)sc1C ZINC000582453989 506230417 /nfs/dbraw/zinc/23/04/17/506230417.db2.gz JBZDOPOXSCGAGO-SECBINFHSA-N -1 3 371.480 3.401 20 0 FGADHM O=c1[nH]c(CC(F)(F)F)c([O-])n1-c1cccc(OCc2cccnc2)c1 ZINC000445913635 501050927 /nfs/dbraw/zinc/05/09/27/501050927.db2.gz PGQQJNZQLTYAOF-AWEZNQCLSA-N -1 3 365.311 3.038 20 0 FGADHM CCOCCOc1cc(C)ccc1CNC(=O)c1cccc(OC)c1[O-] ZINC000445951016 501054650 /nfs/dbraw/zinc/05/46/50/501054650.db2.gz BIGQFWMUAXSWHW-UHFFFAOYSA-N -1 3 359.422 3.055 20 0 FGADHM CCCCc1nc(C(=O)OCC)c(NC(=O)c2ccc(OC(C)C)cn2)[n-]1 ZINC000436003735 501056404 /nfs/dbraw/zinc/05/64/04/501056404.db2.gz TXTXAURNJHZQAD-UHFFFAOYSA-N -1 3 374.441 3.364 20 0 FGADHM CCCCc1nc(NC(=O)c2ccc(OC(C)C)cn2)c(C(=O)OCC)[n-]1 ZINC000436003735 501056406 /nfs/dbraw/zinc/05/64/06/501056406.db2.gz TXTXAURNJHZQAD-UHFFFAOYSA-N -1 3 374.441 3.364 20 0 FGADHM CC(C)[C@@H](C(=O)Nc1cc(Cl)ccc1[O-])N1C(=O)c2ccccc2C1=O ZINC000440941959 501066610 /nfs/dbraw/zinc/06/66/10/501066610.db2.gz LZJSYMMGAQQWHL-INIZCTEOSA-N -1 3 372.808 3.305 20 0 FGADHM CSc1c(F)cccc1C(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000436082288 501067511 /nfs/dbraw/zinc/06/75/11/501067511.db2.gz MHUIIVNYEPNORE-UHFFFAOYSA-N -1 3 354.428 3.171 20 0 FGADHM COC[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)c1ccc(F)cc1 ZINC000436164341 501082119 /nfs/dbraw/zinc/08/21/19/501082119.db2.gz JVSWTSCBVWHMAV-ZDUSSCGKSA-N -1 3 361.797 3.284 20 0 FGADHM Cc1cnc(CCCC(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)o1 ZINC000449801424 501090838 /nfs/dbraw/zinc/09/08/38/501090838.db2.gz DSEPJNLPZFYHIV-UHFFFAOYSA-N -1 3 352.394 3.003 20 0 FGADHM CC(=O)c1[n-]c(=NCc2ccc(OCCN3CCCC3)cc2)sc1C ZINC000450338418 501095131 /nfs/dbraw/zinc/09/51/31/501095131.db2.gz XTFWCNCLSHUGHO-UHFFFAOYSA-N -1 3 359.495 3.163 20 0 FGADHM CN1CCC[C@H](CN=c2[n-]ncs2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000450341592 501095431 /nfs/dbraw/zinc/09/54/31/501095431.db2.gz LFIPEQKQXXTPRR-TZMCWYRMSA-N -1 3 356.417 3.474 20 0 FGADHM C[C@@H](NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)c1ccc(Cl)cc1Cl ZINC000446372778 501111992 /nfs/dbraw/zinc/11/19/92/501111992.db2.gz XKGSILQVSPEGJJ-MRVPVSSYSA-N -1 3 363.200 3.368 20 0 FGADHM CCOC(=O)CC1(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)CC1 ZINC000436475535 501134024 /nfs/dbraw/zinc/13/40/24/501134024.db2.gz BXYVDAMJJSDSMM-UHFFFAOYSA-N -1 3 352.239 3.221 20 0 FGADHM CCOC(=O)CC1(S(=O)(=O)[N-]c2ccccc2CC(F)(F)F)CC1 ZINC000436479186 501135282 /nfs/dbraw/zinc/13/52/82/501135282.db2.gz UFPRCUUHIFSGPO-UHFFFAOYSA-N -1 3 365.373 3.019 20 0 FGADHM O=C(N[C@H]1CCOc2c(Br)cccc21)c1ccc(O)cc1[O-] ZINC000436482431 501136494 /nfs/dbraw/zinc/13/64/94/501136494.db2.gz ABROYPCJQOOJLG-ZDUSSCGKSA-N -1 3 364.195 3.114 20 0 FGADHM COc1ccc(CN(CC2CC2)C(=O)c2ccc(O)cc2[O-])c(OC)c1 ZINC000436520247 501146256 /nfs/dbraw/zinc/14/62/56/501146256.db2.gz DJBBMBWTUDJHNW-UHFFFAOYSA-N -1 3 357.406 3.167 20 0 FGADHM O=C(N[C@@H]1COc2cc(F)c(Br)cc21)c1ccccc1[O-] ZINC000436520484 501146310 /nfs/dbraw/zinc/14/63/10/501146310.db2.gz GNUQXCUMTRVDQK-GFCCVEGCSA-N -1 3 352.159 3.157 20 0 FGADHM COc1ccccc1CC(C)(C)NC(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000436522159 501147547 /nfs/dbraw/zinc/14/75/47/501147547.db2.gz KCLGMPFYBJEMTP-UHFFFAOYSA-N -1 3 359.422 3.169 20 0 FGADHM CC(C)[C@H]1CCCC[C@@H]1NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436528313 501148401 /nfs/dbraw/zinc/14/84/01/501148401.db2.gz NUMNHQRCRRNMAR-AEFFLSMTSA-N -1 3 373.497 3.074 20 0 FGADHM CCOc1nc2cc(C(=O)NCCc3nc4c(cccc4C)o3)ccc2[n-]1 ZINC000450000228 501150064 /nfs/dbraw/zinc/15/00/64/501150064.db2.gz SFHQERCHJAVNHN-UHFFFAOYSA-N -1 3 364.405 3.384 20 0 FGADHM CCOc1nc2ccc(C(=O)NCCc3nc4c(cccc4C)o3)cc2[n-]1 ZINC000450000228 501150068 /nfs/dbraw/zinc/15/00/68/501150068.db2.gz SFHQERCHJAVNHN-UHFFFAOYSA-N -1 3 364.405 3.384 20 0 FGADHM CC(=O)c1ccc(C(=O)N[C@@H](C)c2ccc(NC(=O)C3CC3)cc2)cc1[O-] ZINC000436534921 501150449 /nfs/dbraw/zinc/15/04/49/501150449.db2.gz YTIFELYUHYRRHP-LBPRGKRZSA-N -1 3 366.417 3.434 20 0 FGADHM CN(C)CCOc1ccc(NC(=O)c2cc(F)ccc2[O-])cc1Cl ZINC000436542169 501151991 /nfs/dbraw/zinc/15/19/91/501151991.db2.gz FCMSNPXZBIIOPT-UHFFFAOYSA-N -1 3 352.793 3.377 20 0 FGADHM CC[C@](C)(NC(=O)c1cc(OCc2ccccc2)ccc1[O-])C(=O)OC ZINC000436545188 501152998 /nfs/dbraw/zinc/15/29/98/501152998.db2.gz RIXLAXMMNIHPDB-FQEVSTJZSA-N -1 3 357.406 3.043 20 0 FGADHM COc1ccc(NC(C)=O)c(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)c1 ZINC000436550518 501154033 /nfs/dbraw/zinc/15/40/33/501154033.db2.gz IXTOTDNQLYUYBL-UHFFFAOYSA-N -1 3 370.405 3.325 20 0 FGADHM Cc1ccc(NC(=O)Cc2ccc([O-])c(F)c2)cc1-c1nnnn1C1CC1 ZINC000450560834 501154644 /nfs/dbraw/zinc/15/46/44/501154644.db2.gz HVVOOLCIQAIOFI-UHFFFAOYSA-N -1 3 367.384 3.009 20 0 FGADHM C[C@@H](NC(=O)c1cc(Oc2ccccc2)ccc1[O-])C(=O)N1CCCCC1 ZINC000436556439 501156345 /nfs/dbraw/zinc/15/63/45/501156345.db2.gz LGDQNESESWSACH-OAHLLOKOSA-N -1 3 368.433 3.315 20 0 FGADHM COc1cc(C)cc(C(=O)Nc2cccc([C@@H](C)N3CCOCC3)c2)c1[O-] ZINC000436560572 501157294 /nfs/dbraw/zinc/15/72/94/501157294.db2.gz DQVWGIFHHSMEDO-OAHLLOKOSA-N -1 3 370.449 3.355 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N[C@@H](C)COc3cccc(F)c3)c[n-]c12 ZINC000607720121 506237382 /nfs/dbraw/zinc/23/73/82/506237382.db2.gz WJGQSURUCFWSTG-LBPRGKRZSA-N -1 3 372.371 3.312 20 0 FGADHM CCN(CC)[C@@H](CNC(=O)c1ccc(C(C)=O)c([O-])c1)c1ccsc1 ZINC000436567784 501158933 /nfs/dbraw/zinc/15/89/33/501158933.db2.gz PBGJCVJIOFMBCL-KRWDZBQOSA-N -1 3 360.479 3.469 20 0 FGADHM Cc1cccc(-c2nnc3n2C[C@H](C(=O)Nc2cc(F)ccc2[O-])CC3)c1 ZINC000450038715 501161368 /nfs/dbraw/zinc/16/13/68/501161368.db2.gz BCRFBYOLVKRMKS-CQSZACIVSA-N -1 3 366.396 3.299 20 0 FGADHM CC(C)c1ccc(C(=O)N[C@@H]2CCN(Cc3ccc(F)cc3)C2=O)c([O-])c1 ZINC000436580602 501161972 /nfs/dbraw/zinc/16/19/72/501161972.db2.gz GQWAIZFMFDDRRU-GOSISDBHSA-N -1 3 370.424 3.186 20 0 FGADHM CCOC(=O)c1sc([C@H](C)NC(=O)c2ccc(C)c(C)c2[O-])nc1C ZINC000436582812 501162090 /nfs/dbraw/zinc/16/20/90/501162090.db2.gz CFAAZNIVTPFRBR-LBPRGKRZSA-N -1 3 362.451 3.442 20 0 FGADHM CC[C@H]1Oc2cc([C@H](C)NC(=O)c3ccc(C)cc3[O-])ccc2NC1=O ZINC000436584632 501163068 /nfs/dbraw/zinc/16/30/68/501163068.db2.gz JLVQNMGQJUPWOK-YVEFUNNKSA-N -1 3 354.406 3.301 20 0 FGADHM COC(=O)c1cc(NC(=O)c2cccc(OC)c2[O-])cc(Cl)c1F ZINC000436591761 501164667 /nfs/dbraw/zinc/16/46/67/501164667.db2.gz RHULFTBYAFUIJJ-UHFFFAOYSA-N -1 3 353.733 3.232 20 0 FGADHM CC(C)n1cc2c(n1)C[C@@H](NC(=O)c1cc3c(cc1[O-])CCCC3)CC2 ZINC000436594183 501165887 /nfs/dbraw/zinc/16/58/87/501165887.db2.gz DNVLJIQABYJZHF-KRWDZBQOSA-N -1 3 353.466 3.336 20 0 FGADHM COc1ccc(C(=O)N[C@H](Cn2ccnc2)c2ccc(C)cc2C)c([O-])c1 ZINC000436608052 501168966 /nfs/dbraw/zinc/16/89/66/501168966.db2.gz TVYRVOOCQKGBKK-LJQANCHMSA-N -1 3 365.433 3.385 20 0 FGADHM CC[C@@H](C)NC(=O)CCNC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436617015 501171004 /nfs/dbraw/zinc/17/10/04/501171004.db2.gz JFPPZWBQBHNWAE-MRXNPFEDSA-N -1 3 368.477 3.212 20 0 FGADHM Cc1ccc(-c2noc([C@@H](C)NC(=O)c3ccc(O)cc3[O-])n2)cc1F ZINC000436621518 501171811 /nfs/dbraw/zinc/17/18/11/501171811.db2.gz BPCLTLQUZFBTAR-SNVBAGLBSA-N -1 3 357.341 3.086 20 0 FGADHM CCOc1ccccc1N1CCN(C(=O)c2ccc(C)c(C)c2[O-])CC1 ZINC000436623424 501171839 /nfs/dbraw/zinc/17/18/39/501171839.db2.gz FLFSIGCIHMFTHK-UHFFFAOYSA-N -1 3 354.450 3.370 20 0 FGADHM CC(=O)c1ccc(C(=O)N2CCC[C@H]2c2nc3ccccc3n2C)cc1[O-] ZINC000436632260 501174099 /nfs/dbraw/zinc/17/40/99/501174099.db2.gz WCRNQCPJFOXZJC-SFHVURJKSA-N -1 3 363.417 3.459 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)NC2(c3ccc(Cl)cc3)CC2)c([O-])c1 ZINC000436633385 501174402 /nfs/dbraw/zinc/17/44/02/501174402.db2.gz AQMCFCXGFTVRDC-UHFFFAOYSA-N -1 3 372.852 3.279 20 0 FGADHM C[C@@H]1C[C@H](NC(=O)c2cc(Cl)cc(Br)c2[O-])CN1C1CC1 ZINC000436640975 501176567 /nfs/dbraw/zinc/17/65/67/501176567.db2.gz SFSKLDMAGTZWSW-SCZZXKLOSA-N -1 3 373.678 3.163 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N2CCC[C@]3(CC=CCC3)C2)c([O-])c1 ZINC000436640013 501176609 /nfs/dbraw/zinc/17/66/09/501176609.db2.gz SPCIGRNLOHPLHN-OAQYLSRUSA-N -1 3 356.466 3.169 20 0 FGADHM O=C(CCc1cc2ccccc2o1)NCCCNC(=O)c1cccc([O-])c1 ZINC000588218758 506238833 /nfs/dbraw/zinc/23/88/33/506238833.db2.gz CIKSSIUJBOMWMB-UHFFFAOYSA-N -1 3 366.417 3.007 20 0 FGADHM Cc1ccc([C@@H]2CCCN2C(=O)CCNC(=O)c2ccc(C)cc2[O-])cc1 ZINC000436661579 501181598 /nfs/dbraw/zinc/18/15/98/501181598.db2.gz DFHDJQCSSKKYPD-IBGZPJMESA-N -1 3 366.461 3.493 20 0 FGADHM O=C(NCC1(c2ccc3c(c2)OCCO3)CCCC1)c1ccc(O)cc1[O-] ZINC000436672809 501184946 /nfs/dbraw/zinc/18/49/46/501184946.db2.gz OJKASOJOOJMXSN-UHFFFAOYSA-N -1 3 369.417 3.111 20 0 FGADHM COc1cc(-c2nc(-c3ccc(N4CCCC4)nc3)no2)cc(OC)c1[O-] ZINC000436685589 501187542 /nfs/dbraw/zinc/18/75/42/501187542.db2.gz BLWSSSBMWRBVMV-UHFFFAOYSA-N -1 3 368.393 3.122 20 0 FGADHM CN(C)[C@@H](CNC(=O)c1ccc2c(c1[O-])OC(C)(C)C2)c1ccc(F)cc1 ZINC000436684285 501187721 /nfs/dbraw/zinc/18/77/21/501187721.db2.gz ZWZUXEPWJLTZCJ-KRWDZBQOSA-N -1 3 372.440 3.278 20 0 FGADHM CC1(C)Cc2ccc(C(=O)Nc3nnc(-c4ccco4)s3)c([O-])c2O1 ZINC000436683329 501187753 /nfs/dbraw/zinc/18/77/53/501187753.db2.gz UBUXTWAQMPIBCR-UHFFFAOYSA-N -1 3 357.391 3.470 20 0 FGADHM Cc1ccc(C(=O)N2CCN([C@@H](C)c3ccc(F)cc3F)CC2)c([O-])c1 ZINC000436692320 501189349 /nfs/dbraw/zinc/18/93/49/501189349.db2.gz WVOGOZYQMTYPPS-AWEZNQCLSA-N -1 3 360.404 3.498 20 0 FGADHM COc1cc(-c2nc(-c3cc(OC4CCC4)ccn3)no2)cc(OC)c1[O-] ZINC000436691600 501190012 /nfs/dbraw/zinc/19/00/12/501190012.db2.gz TYHCTUJHLVCCHQ-UHFFFAOYSA-N -1 3 369.377 3.453 20 0 FGADHM COc1cccc(C(=O)CCCC(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)c1 ZINC000450138396 501190835 /nfs/dbraw/zinc/19/08/35/501190835.db2.gz ADFQHBYOBWTIOV-UHFFFAOYSA-N -1 3 368.393 3.373 20 0 FGADHM COc1cccc(C(=O)CCCC(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)c1 ZINC000450138396 501190838 /nfs/dbraw/zinc/19/08/38/501190838.db2.gz ADFQHBYOBWTIOV-UHFFFAOYSA-N -1 3 368.393 3.373 20 0 FGADHM COc1cccc(C(=O)CCCC(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)c1 ZINC000450138396 501190839 /nfs/dbraw/zinc/19/08/39/501190839.db2.gz ADFQHBYOBWTIOV-UHFFFAOYSA-N -1 3 368.393 3.373 20 0 FGADHM CCc1nc2cc(NC(=O)CCNC(=O)c3ccc(C)cc3[O-])ccc2o1 ZINC000436704286 501192636 /nfs/dbraw/zinc/19/26/36/501192636.db2.gz GWJNKJLSHKVVNM-UHFFFAOYSA-N -1 3 367.405 3.163 20 0 FGADHM CN(Cc1ccccc1)C1(CN=c2[n-]nc(-c3ccon3)s2)CCC1 ZINC000450716085 501192727 /nfs/dbraw/zinc/19/27/27/501192727.db2.gz OIDYQRXOYKTBJO-UHFFFAOYSA-N -1 3 355.467 3.082 20 0 FGADHM CN(C)CCn1nccc1NC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436711182 501193633 /nfs/dbraw/zinc/19/36/33/501193633.db2.gz FBKATAWHQYUYMH-UHFFFAOYSA-N -1 3 366.421 3.195 20 0 FGADHM COc1cc(C(=O)N[C@@H]2CC[C@H](c3ccccc3)C[C@H]2OC)ccc1[O-] ZINC000436713203 501194832 /nfs/dbraw/zinc/19/48/32/501194832.db2.gz IOKHLZYHMKUUJO-KVSKMBFKSA-N -1 3 355.434 3.482 20 0 FGADHM [O-]c1ccc(-c2noc(-c3cc(I)c[nH]3)n2)cc1 ZINC000436720266 501196630 /nfs/dbraw/zinc/19/66/30/501196630.db2.gz SKDYDNFWRCBTFU-UHFFFAOYSA-N -1 3 353.119 3.042 20 0 FGADHM CCC1CCC(CNC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)CC1 ZINC000436721474 501197402 /nfs/dbraw/zinc/19/74/02/501197402.db2.gz LOPHTTLLUDMKDA-UHFFFAOYSA-N -1 3 373.497 3.076 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@@H]3CCO[C@H](C(C)C)C3)nc2)n1 ZINC000450737673 501197843 /nfs/dbraw/zinc/19/78/43/501197843.db2.gz LVJMJYWHNOUODS-PBHICJAKSA-N -1 3 356.470 3.092 20 0 FGADHM COc1ccc(C(=O)NCc2ccc(Br)cc2OC)c([O-])c1 ZINC000436730202 501198550 /nfs/dbraw/zinc/19/85/50/501198550.db2.gz KBSNIIPOCSFTAH-UHFFFAOYSA-N -1 3 366.211 3.102 20 0 FGADHM CCOc1cccc([C@@H]2C[C@@H]2NC(=O)c2cc(OC)c([O-])c(OC)c2)c1 ZINC000436734148 501199751 /nfs/dbraw/zinc/19/97/51/501199751.db2.gz AAJSVCAGJDNMTC-HOTGVXAUSA-N -1 3 357.406 3.094 20 0 FGADHM CC(C)[C@@H](CCc1ccccc1)C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000436736322 501200943 /nfs/dbraw/zinc/20/09/43/501200943.db2.gz GJAXJRGRJMBDFT-HXUWFJFHSA-N -1 3 368.477 3.143 20 0 FGADHM C[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[O-])CCN(C2CCC2)C1 ZINC000436736861 501201053 /nfs/dbraw/zinc/20/10/53/501201053.db2.gz PGQLMPPWBZXTDQ-LBPRGKRZSA-N -1 3 356.388 3.357 20 0 FGADHM COC(=O)c1cccc(NC(=O)c2cccc(OC)c2[O-])c1OC(C)C ZINC000436740737 501202461 /nfs/dbraw/zinc/20/24/61/501202461.db2.gz RNFRFDDSPWFPIF-UHFFFAOYSA-N -1 3 359.378 3.227 20 0 FGADHM CC1(C)Cc2ccc(C(=O)Nc3ccccc3N3CCCC3=O)c([O-])c2O1 ZINC000436755813 501204747 /nfs/dbraw/zinc/20/47/47/501204747.db2.gz AETUZUFHLABPOG-UHFFFAOYSA-N -1 3 366.417 3.485 20 0 FGADHM NC(=O)[C@H](NC(=O)c1cc(CCc2ccccc2)ccc1[O-])c1ccccc1 ZINC000436757789 501205935 /nfs/dbraw/zinc/20/59/35/501205935.db2.gz UKZZTKYKWLALPP-OAQYLSRUSA-N -1 3 374.440 3.134 20 0 FGADHM CC(C)c1ccc(C(=O)N2CCC[C@@H]2C(=O)Nc2nccs2)c([O-])c1 ZINC000436758329 501206144 /nfs/dbraw/zinc/20/61/44/501206144.db2.gz NATVWJIGXZDUJT-CQSZACIVSA-N -1 3 359.451 3.215 20 0 FGADHM CC(C)c1ccc(C(=O)N(Cc2ccc(C(N)=O)cc2)C2CC2)c([O-])c1 ZINC000436760710 501206629 /nfs/dbraw/zinc/20/66/29/501206629.db2.gz DVKIGKRHWSYKSR-UHFFFAOYSA-N -1 3 352.434 3.419 20 0 FGADHM CC(C)N(C)S(=O)(=O)c1ccc(-c2nc(-c3ccc([O-])cc3)no2)cc1 ZINC000436766532 501207511 /nfs/dbraw/zinc/20/75/11/501207511.db2.gz CQHJFEMWZUJCJD-UHFFFAOYSA-N -1 3 373.434 3.138 20 0 FGADHM CC(F)(F)CCSc1nc(C2CC2)nc2c1c(=O)[n-]c(=O)n2C1CC1 ZINC000450782946 501208324 /nfs/dbraw/zinc/20/83/24/501208324.db2.gz ZNVZBTIEMFOZQM-UHFFFAOYSA-N -1 3 368.409 3.242 20 0 FGADHM C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc(Br)cc(Cl)c1[O-] ZINC000436768783 501208409 /nfs/dbraw/zinc/20/84/09/501208409.db2.gz GOHGCGOHVUIOLO-SDBXPKJASA-N -1 3 373.678 3.021 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)Nc2ccnn2[C@@H](C)CC(C)C)c([O-])c1 ZINC000436793741 501212888 /nfs/dbraw/zinc/21/28/88/501212888.db2.gz SSNDBQWDZOSONZ-HNNXBMFYSA-N -1 3 372.469 3.263 20 0 FGADHM CCN(CCNC(=O)c1ccc2c(c1[O-])OC(C)(C)C2)CCC(F)(F)F ZINC000436807402 501214353 /nfs/dbraw/zinc/21/43/53/501214353.db2.gz XZWUNUKWUXENPZ-UHFFFAOYSA-N -1 3 374.403 3.110 20 0 FGADHM CC(C)O[C@H](CN1CCN(C(=O)c2ccccc2[O-])CC1)c1ccccc1 ZINC000436824352 501216654 /nfs/dbraw/zinc/21/66/54/501216654.db2.gz ARRXMYXIKWUTIH-OAQYLSRUSA-N -1 3 368.477 3.316 20 0 FGADHM CCc1ccc(-c2nc(CS(=O)(=O)c3ccc(C)cc3)no2)c([O-])c1 ZINC000436831924 501218376 /nfs/dbraw/zinc/21/83/76/501218376.db2.gz HUXZMSKIZNBWJJ-UHFFFAOYSA-N -1 3 358.419 3.287 20 0 FGADHM CCc1ccc(C(=O)N[C@H](c2c(C)nn(C)c2C)C(F)(F)F)c([O-])c1 ZINC000436833021 501218545 /nfs/dbraw/zinc/21/85/45/501218545.db2.gz KNSKKZQJACBCHT-OAHLLOKOSA-N -1 3 355.360 3.338 20 0 FGADHM COC(=O)COc1ccc(N(C)C(=O)c2cc3c(cc2[O-])CCCC3)cc1 ZINC000436838174 501219084 /nfs/dbraw/zinc/21/90/84/501219084.db2.gz IFCHFSSBJWUSQK-UHFFFAOYSA-N -1 3 369.417 3.099 20 0 FGADHM CN1CC[C@H](NC(=O)Cc2ccc([O-])c(F)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000450283506 501225339 /nfs/dbraw/zinc/22/53/39/501225339.db2.gz AGPBIRANZSVJFN-LPHOPBHVSA-N -1 3 362.832 3.289 20 0 FGADHM O=c1[n-]nc([C@@H]2CCCN(CCOc3ccc(C(F)(F)F)cc3)C2)o1 ZINC000450895877 501225389 /nfs/dbraw/zinc/22/53/89/501225389.db2.gz KUSQHBJDXZKONI-LLVKDONJSA-N -1 3 357.332 3.052 20 0 FGADHM COC(=O)c1cccc(OCc2noc(-c3ccc(C)c(C)c3[O-])n2)c1 ZINC000436885836 501227102 /nfs/dbraw/zinc/22/71/02/501227102.db2.gz FHPAJJXVTMAVJS-UHFFFAOYSA-N -1 3 354.362 3.425 20 0 FGADHM O=C(c1ccccc1[O-])N1CCN(C/C=C/c2ccc(F)c(F)c2)CC1 ZINC000436888609 501228098 /nfs/dbraw/zinc/22/80/98/501228098.db2.gz UTFOSRPQBVOTNR-ONEGZZNKSA-N -1 3 358.388 3.142 20 0 FGADHM COc1cccc(C(C)(C)CNC(=O)c2cc(OC)c([O-])c(OC)c2)c1 ZINC000436892078 501228701 /nfs/dbraw/zinc/22/87/01/501228701.db2.gz ZEDGZUIWQMZYFB-UHFFFAOYSA-N -1 3 359.422 3.126 20 0 FGADHM COc1cccc(-c2nc(CC(=O)Nc3ccccc3Cl)no2)c1[O-] ZINC000436894929 501229236 /nfs/dbraw/zinc/22/92/36/501229236.db2.gz HBFXVPOAVWFMNM-UHFFFAOYSA-N -1 3 359.769 3.285 20 0 FGADHM COc1cccc(C(=O)N[C@H](C)c2ccc(Br)cn2)c1[O-] ZINC000436905777 501230356 /nfs/dbraw/zinc/23/03/56/501230356.db2.gz UPYLOMYQUHPCOQ-SECBINFHSA-N -1 3 351.200 3.049 20 0 FGADHM CC[C@@H](C[C@@H](C)CO)NC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436906558 501230877 /nfs/dbraw/zinc/23/08/77/501230877.db2.gz QOBGRGMNYCLIPI-WBVHZDCISA-N -1 3 357.450 3.498 20 0 FGADHM COc1ccc(C[C@@H](C)CN(C)C(=O)c2cc(OC)c([O-])c(OC)c2)cc1 ZINC000436920695 501233007 /nfs/dbraw/zinc/23/30/07/501233007.db2.gz QJSZOJOFDQNNQL-CQSZACIVSA-N -1 3 373.449 3.369 20 0 FGADHM CC(C)C(=O)Nc1ccc(S(=O)(=O)[N-]C2(C(F)(F)F)CCC2)cc1 ZINC000451000430 501237870 /nfs/dbraw/zinc/23/78/70/501237870.db2.gz OBCUXRPNDFCSFY-UHFFFAOYSA-N -1 3 364.389 3.044 20 0 FGADHM Cc1csc(S(=O)(=O)[N-]C[C@H]2CCCN(Cc3cccs3)C2)c1 ZINC000451134407 501247551 /nfs/dbraw/zinc/24/75/51/501247551.db2.gz HVOBEJLKOUGIKQ-CQSZACIVSA-N -1 3 370.565 3.309 20 0 FGADHM CCOC(=O)[C@@H]([N-]S(=O)(=O)C1CCC(C(F)(F)F)CC1)[C@H](C)CC ZINC000451287454 501257503 /nfs/dbraw/zinc/25/75/03/501257503.db2.gz UNDVKOFAHRGNKT-XVSSEFHLSA-N -1 3 373.437 3.005 20 0 FGADHM CCOc1ccncc1S(=O)(=O)[N-]C[C@@H](c1ccccc1)C(F)(F)F ZINC000451413745 501286713 /nfs/dbraw/zinc/28/67/13/501286713.db2.gz HJLBBAYFBGBXJD-ZDUSSCGKSA-N -1 3 374.384 3.105 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]CC2(OC)CCCC2)c(Cl)c1Cl ZINC000451613582 501337145 /nfs/dbraw/zinc/33/71/45/501337145.db2.gz NNYRFNLGLBGLLU-UHFFFAOYSA-N -1 3 368.282 3.240 20 0 FGADHM CC1(F)CC([N-]S(=O)(=O)c2ccc(Cl)cc2Br)C1 ZINC000451633058 501340309 /nfs/dbraw/zinc/34/03/09/501340309.db2.gz NILUPHXAXCNZHZ-UHFFFAOYSA-N -1 3 356.644 3.271 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)c1c(Cl)ccc2ccccc21)[C@@H](O)C(F)F ZINC000451713280 501357951 /nfs/dbraw/zinc/35/79/51/501357951.db2.gz OGFLKIOVKOMMCO-QWHCGFSZSA-N -1 3 363.813 3.176 20 0 FGADHM Cn1c(=O)oc2cc(NC(=O)c3cc4c(cc3[O-])CCCC4)c(F)cc21 ZINC000458180407 501386388 /nfs/dbraw/zinc/38/63/88/501386388.db2.gz PPPGJERBVNLKNO-UHFFFAOYSA-N -1 3 356.353 3.107 20 0 FGADHM CCOC(=O)c1cc(C(=O)N=c2cc(C)n(C3CCCCC3)[nH]2)[n-]c1C ZINC000451873017 501390366 /nfs/dbraw/zinc/39/03/66/501390366.db2.gz YWRNETFIPBCXHN-UHFFFAOYSA-N -1 3 358.442 3.184 20 0 FGADHM CCC[C@H]1CCCC[C@H]1C[N-]S(=O)(=O)c1ccc(CNC(C)=O)s1 ZINC000452040856 501423460 /nfs/dbraw/zinc/42/34/60/501423460.db2.gz IGVDVIHELFNLBS-GJZGRUSLSA-N -1 3 372.556 3.269 20 0 FGADHM CCOC(=O)c1ccsc1[N-]C(=O)C(=O)N1C[C@@H](C(C)C)[C@H]1C(C)C ZINC000453962532 501433742 /nfs/dbraw/zinc/43/37/42/501433742.db2.gz WIZJKDRAABCRAX-UONOGXRCSA-N -1 3 366.483 3.002 20 0 FGADHM COC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1CC[C@H](CC(C)(C)C)C1 ZINC000454090012 501458201 /nfs/dbraw/zinc/45/82/01/501458201.db2.gz JBGIMMKHYSXAAG-GFCCVEGCSA-N -1 3 366.483 3.066 20 0 FGADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)N1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000458649985 501498801 /nfs/dbraw/zinc/49/88/01/501498801.db2.gz HUQCYDPXNLABTI-SNVBAGLBSA-N -1 3 373.766 3.176 20 0 FGADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)N1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000458649985 501498803 /nfs/dbraw/zinc/49/88/03/501498803.db2.gz HUQCYDPXNLABTI-SNVBAGLBSA-N -1 3 373.766 3.176 20 0 FGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000458649985 501498804 /nfs/dbraw/zinc/49/88/04/501498804.db2.gz HUQCYDPXNLABTI-SNVBAGLBSA-N -1 3 373.766 3.176 20 0 FGADHM O=C(c1ccc2c(c1[O-])CCCC2)N1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000452492086 501512632 /nfs/dbraw/zinc/51/26/32/501512632.db2.gz VBEDRCLOEJQXGW-KNQAVFIVSA-N -1 3 369.436 3.211 20 0 FGADHM CO[C@H]1CCN(C(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)CC1(C)C ZINC000454321352 501513195 /nfs/dbraw/zinc/51/31/95/501513195.db2.gz STBAVTHBCDSTOO-KRWDZBQOSA-N -1 3 370.453 3.436 20 0 FGADHM COC[C@H]1CCCCN1C(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000454350040 501520798 /nfs/dbraw/zinc/52/07/98/501520798.db2.gz MTMWFIIABBCUIQ-MRXNPFEDSA-N -1 3 356.426 3.190 20 0 FGADHM CS[C@H]1CCN(C(=O)c2c[n-]c3c(OC(F)(F)F)cccc3c2=O)C1 ZINC000452559654 501523427 /nfs/dbraw/zinc/52/34/27/501523427.db2.gz OATSLTZEZPTKAC-VIFPVBQESA-N -1 3 372.368 3.004 20 0 FGADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@@H](C)NC(=O)CC(C)(C)C ZINC000452758958 501558259 /nfs/dbraw/zinc/55/82/59/501558259.db2.gz SSUUWAIUCFGQDZ-SNVBAGLBSA-N -1 3 371.275 3.343 20 0 FGADHM C[C@@H](NC(=O)Cc1ccc([O-])cc1Cl)C(=O)N1c2ccccc2C[C@@H]1C ZINC000456651395 501567315 /nfs/dbraw/zinc/56/73/15/501567315.db2.gz PKKJRIDKQNIOOL-QWHCGFSZSA-N -1 3 372.852 3.071 20 0 FGADHM O=S(=O)([N-]CCOc1ccccc1C(F)(F)F)c1ccccc1F ZINC000592819454 506261850 /nfs/dbraw/zinc/26/18/50/506261850.db2.gz UQTZBHJUBHCVKV-UHFFFAOYSA-N -1 3 363.332 3.202 20 0 FGADHM CC[C@@H]1[C@H](CO)CCN1C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000452966127 501594261 /nfs/dbraw/zinc/59/42/61/501594261.db2.gz WWIKIHJULZODNY-AZUAARDMSA-N -1 3 353.462 3.410 20 0 FGADHM CCOc1nc2ccc(-c3nc(CC(=O)NC4CCCCC4)no3)cc2[n-]1 ZINC000453031037 501604732 /nfs/dbraw/zinc/60/47/32/501604732.db2.gz WLXLGZAQEHMVIS-UHFFFAOYSA-N -1 3 369.425 3.003 20 0 FGADHM CCCCn1c(=O)[n-]nc1S(=O)(=O)Cc1cc(Cl)sc1Cl ZINC000453031193 501605111 /nfs/dbraw/zinc/60/51/11/501605111.db2.gz XYZPYZPXETVQFU-UHFFFAOYSA-N -1 3 370.283 3.126 20 0 FGADHM [O-]c1cccc(CN2CCN(Cc3ccco3)CC2)c1Br ZINC000459294637 501626158 /nfs/dbraw/zinc/62/61/58/501626158.db2.gz CGLSWFOSGPTFTA-UHFFFAOYSA-N -1 3 351.244 3.066 20 0 FGADHM CCOC(=O)CC1CCN(Cc2cc(=O)[n-]c(-c3ccccc3)n2)CC1 ZINC000459315797 501629133 /nfs/dbraw/zinc/62/91/33/501629133.db2.gz SJLBYUDPLYCKQA-UHFFFAOYSA-N -1 3 355.438 3.014 20 0 FGADHM CCCNC(=O)[C@H]1CCCN(Cc2cc(Cl)c([O-])c(OCC)c2)C1 ZINC000459316570 501629720 /nfs/dbraw/zinc/62/97/20/501629720.db2.gz ALJICNHDOOVRPK-AWEZNQCLSA-N -1 3 354.878 3.183 20 0 FGADHM CC(C)(C)C[C@H]1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])C1 ZINC000457004462 501633722 /nfs/dbraw/zinc/63/37/22/501633722.db2.gz CDABSBLVVGPAPE-NVXWUHKLSA-N -1 3 358.482 3.282 20 0 FGADHM O=c1cc(CN2CC[C@H](OCCCc3ccccc3)C2)nc(C2CC2)[n-]1 ZINC000459338099 501634523 /nfs/dbraw/zinc/63/45/23/501634523.db2.gz FSWFXZXVYCAQGH-IBGZPJMESA-N -1 3 353.466 3.283 20 0 FGADHM CCOC(=O)CN(Cc1cc(=O)[n-]c(C2CC2)n1)[C@@H](C)c1ccccc1 ZINC000459372628 501641915 /nfs/dbraw/zinc/64/19/15/501641915.db2.gz JIXVAYSEEISXEZ-AWEZNQCLSA-N -1 3 355.438 3.186 20 0 FGADHM C[C@H](NCc1cc(=O)[n-]c(C2CC2)n1)c1ccc(NC(=O)C2CC2)cc1 ZINC000459387456 501644561 /nfs/dbraw/zinc/64/45/61/501644561.db2.gz DBFNQXBLYWWNOU-LBPRGKRZSA-N -1 3 352.438 3.259 20 0 FGADHM CC(C)(C)OC(=O)[C@@H](NCc1cc(=O)[n-]c(C2CC2)n1)c1ccccc1 ZINC000459394687 501646038 /nfs/dbraw/zinc/64/60/38/501646038.db2.gz HFGVWZRPWOUCFP-KRWDZBQOSA-N -1 3 355.438 3.232 20 0 FGADHM CCOc1cc(CNCc2nccn2CC(F)(F)F)cc(Cl)c1[O-] ZINC000459405861 501647819 /nfs/dbraw/zinc/64/78/19/501647819.db2.gz NZIKHLNEXCGEBN-UHFFFAOYSA-N -1 3 363.767 3.493 20 0 FGADHM CCOc1cc(CN[C@@H](C)C(=O)N2CCCC[C@H]2C)cc(Cl)c1[O-] ZINC000459421056 501650879 /nfs/dbraw/zinc/65/08/79/501650879.db2.gz YRONNDZJDXFISX-OLZOCXBDSA-N -1 3 354.878 3.323 20 0 FGADHM [O-]c1cccc(CN2CCC[C@H]([C@H](O)C(F)(F)F)C2)c1Br ZINC000459502229 501664891 /nfs/dbraw/zinc/66/48/91/501664891.db2.gz GDFNRBDMTDLVRT-GWCFXTLKSA-N -1 3 368.193 3.290 20 0 FGADHM CC1(C)CN(Cc2cccc([O-])c2Br)C[C@]2(CCCOC2)O1 ZINC000459513129 501667207 /nfs/dbraw/zinc/66/72/07/501667207.db2.gz OMZKAGAKXQPFOC-KRWDZBQOSA-N -1 3 370.287 3.315 20 0 FGADHM [O-]c1cccc(CN[C@]2(CO)CCCc3ccccc32)c1Br ZINC000459527767 501670157 /nfs/dbraw/zinc/67/01/57/501670157.db2.gz KOBYFOQPRAIORF-SFHVURJKSA-N -1 3 362.267 3.468 20 0 FGADHM [O-]c1cccc(CN2CC[C@H](n3cc(Cl)cn3)C2)c1Br ZINC000459554173 501675688 /nfs/dbraw/zinc/67/56/88/501675688.db2.gz DALZLPXUNJIUSL-LBPRGKRZSA-N -1 3 356.651 3.452 20 0 FGADHM CCOc1cc(CN2CC[C@@H](OC)[C@@H](C)C2)cc(Br)c1[O-] ZINC000459577866 501680234 /nfs/dbraw/zinc/68/02/34/501680234.db2.gz MFINRTAMDDGIMH-SMDDNHRTSA-N -1 3 358.276 3.410 20 0 FGADHM CCOc1cc(CN2CC[C@@H](O)C23CCCC3)cc(Br)c1[O-] ZINC000459595778 501683987 /nfs/dbraw/zinc/68/39/87/501683987.db2.gz TWRIFDQKXCBYAW-OAHLLOKOSA-N -1 3 370.287 3.433 20 0 FGADHM Cc1c(CSC(C)C)cccc1NC(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000463454646 501728374 /nfs/dbraw/zinc/72/83/74/501728374.db2.gz VXAWLRZWKLIVDY-UHFFFAOYSA-N -1 3 360.483 3.451 20 0 FGADHM 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Cc1cc(S(=O)(=O)[N-]C[C@H]2Cc3ccccc3O2)c(Cl)cc1F ZINC000471782998 502135568 /nfs/dbraw/zinc/13/55/68/502135568.db2.gz VCMNJVVECBUPGK-GFCCVEGCSA-N -1 3 355.818 3.070 20 0 FGADHM COc1ccccc1-c1nc(NC(=O)[C@H](C)COc2ccccc2)n[n-]1 ZINC000471795708 502138747 /nfs/dbraw/zinc/13/87/47/502138747.db2.gz APSPHDYDVFOZLR-CYBMUJFWSA-N -1 3 352.394 3.134 20 0 FGADHM C[C@H](NC(=O)NCc1ncccc1[O-])c1nc(-c2ccccc2)cs1 ZINC000471848779 502153357 /nfs/dbraw/zinc/15/33/57/502153357.db2.gz IQJIINSPHJVSMP-LBPRGKRZSA-N -1 3 354.435 3.471 20 0 FGADHM C[C@H](Cc1ccccc1Cl)C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C ZINC000461615414 502154655 /nfs/dbraw/zinc/15/46/55/502154655.db2.gz AOMCHEZPGWYFRS-LLVKDONJSA-N -1 3 373.840 3.053 20 0 FGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@H](C)CC(C)(C)C)cc1OC ZINC000475383599 502154764 /nfs/dbraw/zinc/15/47/64/502154764.db2.gz NBMMAEZQRGKGSE-GFCCVEGCSA-N -1 3 356.488 3.468 20 0 FGADHM CCc1c(NC(=O)Cc2c(C)nc(C)[n-]c2=O)cnn1-c1ccccc1C ZINC000482698992 502155342 /nfs/dbraw/zinc/15/53/42/502155342.db2.gz MWZKGVWKDUPEQK-UHFFFAOYSA-N -1 3 365.437 3.037 20 0 FGADHM Cc1cccc2c(=O)c(C(=O)Nc3nnc(-c4ccco4)s3)c[n-]c12 ZINC000482718162 502160624 /nfs/dbraw/zinc/16/06/24/502160624.db2.gz WYOWEKRLXYALFI-UHFFFAOYSA-N -1 3 352.375 3.200 20 0 FGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccn3ccnc3c2)c1Cl ZINC000475412308 502163689 /nfs/dbraw/zinc/16/36/89/502163689.db2.gz SVRQKZCOWOJKMO-UHFFFAOYSA-N -1 3 370.261 3.428 20 0 FGADHM CCc1ccnc(-c2noc([C@H](C)[N-]S(=O)(=O)c3ccc(C)cc3)n2)c1 ZINC000482753831 502170563 /nfs/dbraw/zinc/17/05/63/502170563.db2.gz MUDOTHXJJMQUGW-ZDUSSCGKSA-N -1 3 372.450 3.042 20 0 FGADHM CCO[C@@H](CC(=O)Nc1ccc(F)c([N-]S(C)(=O)=O)c1)C1=CCCC1 ZINC000465027169 502176098 /nfs/dbraw/zinc/17/60/98/502176098.db2.gz MYVASDVRCBXJFR-INIZCTEOSA-N -1 3 370.446 3.041 20 0 FGADHM C[C@]([N-]S(=O)(=O)c1ccc2c(c1)CC(C)(C)O2)(C1CC1)C(F)(F)F ZINC000479152033 502177613 /nfs/dbraw/zinc/17/76/13/502177613.db2.gz GEIAODPMTJRDEO-HNNXBMFYSA-N -1 3 363.401 3.409 20 0 FGADHM 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CCc1cc(C(=O)NC(C)(C)c2cn(-c3ccccc3)nn2)ccc1[O-] ZINC000486732322 502245463 /nfs/dbraw/zinc/24/54/63/502245463.db2.gz QEUSMNOLKJNMRR-UHFFFAOYSA-N -1 3 350.422 3.200 20 0 FGADHM C[C@@H](Cc1cncc2ccccc21)C(=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000483014688 502245938 /nfs/dbraw/zinc/24/59/38/502245938.db2.gz WWPHFWNMYRPQJR-ZDUSSCGKSA-N -1 3 358.405 3.232 20 0 FGADHM C[C@@H](Cc1cncc2ccccc21)C(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000483014688 502245941 /nfs/dbraw/zinc/24/59/41/502245941.db2.gz WWPHFWNMYRPQJR-ZDUSSCGKSA-N -1 3 358.405 3.232 20 0 FGADHM C[C@@H](Cc1cncc2ccccc21)C(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000483014688 502245945 /nfs/dbraw/zinc/24/59/45/502245945.db2.gz WWPHFWNMYRPQJR-ZDUSSCGKSA-N -1 3 358.405 3.232 20 0 FGADHM CC(C)n1cnnc1C1CCN(C(=O)CCCc2ccc([O-])c(F)c2)CC1 ZINC000469003588 502259904 /nfs/dbraw/zinc/25/99/04/502259904.db2.gz QPVDNZOQLYWPOW-UHFFFAOYSA-N -1 3 374.460 3.433 20 0 FGADHM COCCOc1ccc(F)cc1S(=O)(=O)[N-][C@@H]1CCC[C@H](C)CC1 ZINC000469027118 502268906 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Cc1cc(C)c2[n-]cc(C(=O)N3CCOC[C@@H]3c3ccccc3)c(=O)c2c1 ZINC000483338118 502355746 /nfs/dbraw/zinc/35/57/46/502355746.db2.gz PPWZFPQTWQYMJO-LJQANCHMSA-N -1 3 362.429 3.359 20 0 FGADHM CCC(CC)(CC(=O)OC)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000487106098 502360280 /nfs/dbraw/zinc/36/02/80/502360280.db2.gz XGGMJWLSYJDTEQ-UHFFFAOYSA-N -1 3 368.282 3.394 20 0 FGADHM COc1ccccc1N1CC[C@H](NC(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000469285882 502362200 /nfs/dbraw/zinc/36/22/00/502362200.db2.gz ZNMNVEUQHJMZMO-INIZCTEOSA-N -1 3 372.440 3.258 20 0 FGADHM CO[C@@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)c1csc(=O)[n-]1 ZINC000472474598 502363759 /nfs/dbraw/zinc/36/37/59/502363759.db2.gz ZVNHWYDYBSCIDQ-PRHODGIISA-N -1 3 371.256 3.117 20 0 FGADHM C[C@]1(Cc2ccccc2)CCCN1C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000469310090 502371019 /nfs/dbraw/zinc/37/10/19/502371019.db2.gz VASZMYARNSGPNI-HXUWFJFHSA-N -1 3 372.490 3.296 20 0 FGADHM CCn1cnc(S(=O)(=O)[N-]C[C@H](Cc2ccccc2)c2ccccc2)c1 ZINC000487157053 502376217 /nfs/dbraw/zinc/37/62/17/502376217.db2.gz TXZZFVHHCTUBTN-IBGZPJMESA-N -1 3 369.490 3.208 20 0 FGADHM CCC[C@@](C)(CC)C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000476097654 502383261 /nfs/dbraw/zinc/38/32/61/502383261.db2.gz TUCXWHZBHFCBEO-QGZVFWFLSA-N -1 3 356.463 3.421 20 0 FGADHM CCCS(=O)(=O)[N-]c1cc(NC(=O)[C@H]2C[C@@H]2C(C)C)c(F)cc1F ZINC000476112225 502388790 /nfs/dbraw/zinc/38/87/90/502388790.db2.gz RFDZOVLNWXVZHC-MNOVXSKESA-N -1 3 360.426 3.347 20 0 FGADHM COc1cccc(OCCCNC(=O)CCCc2ccc([O-])c(F)c2)c1 ZINC000469372204 502390179 /nfs/dbraw/zinc/39/01/79/502390179.db2.gz XJYHPRVCZJRMKC-UHFFFAOYSA-N -1 3 361.413 3.448 20 0 FGADHM CCC(CC)[C@H](C(=O)Nc1ccc([O-])c(C(F)(F)F)c1)N1CCOCC1 ZINC000476140465 502396284 /nfs/dbraw/zinc/39/62/84/502396284.db2.gz GMWYIADAMWPVFP-MRXNPFEDSA-N -1 3 374.403 3.487 20 0 FGADHM O=C(CCCc1ccc([O-])c(F)c1)NCCc1nc2cc(F)ccc2[nH]1 ZINC000469399790 502399833 /nfs/dbraw/zinc/39/98/33/502399833.db2.gz LUXIBYOYQVKXIO-UHFFFAOYSA-N -1 3 359.376 3.228 20 0 FGADHM COC(=O)C[C@H](NC(=O)CCCc1ccc([O-])c(F)c1)C1CCCCC1 ZINC000469410247 502405451 /nfs/dbraw/zinc/40/54/51/502405451.db2.gz OTPSQUCDYMXCSY-KRWDZBQOSA-N -1 3 365.445 3.482 20 0 FGADHM CCC[C@H](C)c1cc([N-]S(=O)(=O)c2ccc(CN(C)C)cc2)n[nH]1 ZINC000476188363 502407498 /nfs/dbraw/zinc/40/74/98/502407498.db2.gz DRHURJZHFMBWFG-ZDUSSCGKSA-N -1 3 350.488 3.176 20 0 FGADHM CCC[C@H](C)c1cc([N-]S(=O)(=O)c2ccc(CN(C)C)cc2)[nH]n1 ZINC000476188363 502407502 /nfs/dbraw/zinc/40/75/02/502407502.db2.gz DRHURJZHFMBWFG-ZDUSSCGKSA-N -1 3 350.488 3.176 20 0 FGADHM Cc1cccc2c(=O)c(C(=O)N(Cc3ccccc3)CC(C)(C)O)c[n-]c12 ZINC000483486282 502407529 /nfs/dbraw/zinc/40/75/29/502407529.db2.gz TZCBQIBTDBPGCF-UHFFFAOYSA-N -1 3 364.445 3.250 20 0 FGADHM COC(=O)CC1(C[N-]S(=O)(=O)c2ccc(Cl)s2)CCCCC1 ZINC000472698845 502421303 /nfs/dbraw/zinc/42/13/03/502421303.db2.gz ODZRMFWRXQYICH-UHFFFAOYSA-N -1 3 365.904 3.193 20 0 FGADHM O=S(=O)([N-][C@H](CO)c1ccsc1)c1cccc(Cl)c1Cl ZINC000472715378 502425051 /nfs/dbraw/zinc/42/50/51/502425051.db2.gz RJAYVNLUCMWICL-SNVBAGLBSA-N -1 3 352.264 3.067 20 0 FGADHM Cc1cscc1C[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000487357689 502425617 /nfs/dbraw/zinc/42/56/17/502425617.db2.gz BMAPPNPLBOQRLV-UHFFFAOYSA-N -1 3 364.261 3.437 20 0 FGADHM COC[C@H]([N-]S(=O)(=O)c1cc(F)cc(F)c1)c1ccc(Cl)cc1 ZINC000487363320 502426302 /nfs/dbraw/zinc/42/63/02/502426302.db2.gz JCCPILFCHHFLPZ-HNNXBMFYSA-N -1 3 361.797 3.284 20 0 FGADHM CCOC(=O)[C@H](Cc1ccccc1Cl)[N-]S(=O)(=O)C1CCCCC1 ZINC000472736294 502428199 /nfs/dbraw/zinc/42/81/99/502428199.db2.gz ILINEXBJYIGWJP-INIZCTEOSA-N -1 3 373.902 3.066 20 0 FGADHM CCOC(=O)[C@@H]([N-]S(=O)(=O)c1ccccc1C)c1cccc(C)c1C ZINC000472760585 502433042 /nfs/dbraw/zinc/43/30/42/502433042.db2.gz YGWSDTFIKDZCIJ-SFHVURJKSA-N -1 3 361.463 3.195 20 0 FGADHM CCc1[n-][nH]c(=NC(=O)c2cc(F)c(F)cc2C(=O)c2ccccc2)c1C ZINC000479985503 502437035 /nfs/dbraw/zinc/43/70/35/502437035.db2.gz FKOCQXAPBJMCBN-UHFFFAOYSA-N -1 3 369.371 3.464 20 0 FGADHM CCOC(=O)c1c([N-]C(=O)c2conc2COC)sc2c1CCCC2 ZINC000487416167 502438294 /nfs/dbraw/zinc/43/82/94/502438294.db2.gz SXXVCMBKPCIAHW-UHFFFAOYSA-N -1 3 364.423 3.190 20 0 FGADHM O=S(=O)([N-]c1ccc(-n2ccnc2)cc1)c1cc(F)c(F)c(F)c1 ZINC000462451025 502444314 /nfs/dbraw/zinc/44/43/14/502444314.db2.gz GGYKGXUKLWXJLE-UHFFFAOYSA-N -1 3 353.325 3.090 20 0 FGADHM COc1cccc(-c2nsc(NC([O-])=Cc3cc(C)ccc3C)n2)c1 ZINC000476288184 502444896 /nfs/dbraw/zinc/44/48/96/502444896.db2.gz PSGASGCTXGGDLN-UHFFFAOYSA-N -1 3 353.447 3.434 20 0 FGADHM COC(=O)c1ccc(S(=O)(=O)[N-]C/C=C/c2ccccc2)c(Cl)c1 ZINC000480017634 502447081 /nfs/dbraw/zinc/44/70/81/502447081.db2.gz DSGIVQZTIVBXHC-VMPITWQZSA-N -1 3 365.838 3.118 20 0 FGADHM COCC[C@@H]([N-]S(=O)(=O)c1cnc2ccsc2c1)c1ccc(C)o1 ZINC000480017093 502447173 /nfs/dbraw/zinc/44/71/73/502447173.db2.gz JVDDBPGZQXESHM-CYBMUJFWSA-N -1 3 366.464 3.254 20 0 FGADHM O=S(=O)([N-][C@@H]1CCCc2ccccc21)c1ccc(Br)cn1 ZINC000462475346 502454690 /nfs/dbraw/zinc/45/46/90/502454690.db2.gz 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502493423 /nfs/dbraw/zinc/49/34/23/502493423.db2.gz PUAHJLODXRTFJH-UHFFFAOYSA-N -1 3 368.437 3.036 20 0 FGADHM CCOc1nc2ccc(C(=O)N(CCCOC)Cc3ccncc3)cc2[n-]1 ZINC000469654750 502493425 /nfs/dbraw/zinc/49/34/25/502493425.db2.gz PUAHJLODXRTFJH-UHFFFAOYSA-N -1 3 368.437 3.036 20 0 FGADHM C[C@@H](C[N-]S(=O)(=O)c1ccc(F)c(F)c1)Oc1ccc(Cl)cc1 ZINC000462580671 502495130 /nfs/dbraw/zinc/49/51/30/502495130.db2.gz YXGYAQYSLPANCS-JTQLQIEISA-N -1 3 361.797 3.364 20 0 FGADHM CCN(C(=O)NCc1ccc([O-])c(F)c1)[C@@H](COC)Cc1ccccc1 ZINC000473000435 502495372 /nfs/dbraw/zinc/49/53/72/502495372.db2.gz LCZAFXBCOQRTHG-QGZVFWFLSA-N -1 3 360.429 3.321 20 0 FGADHM COc1ccc(OC)c(S(=O)(=O)[N-]c2cc(C(C)=O)ccc2Cl)c1 ZINC000476481098 502500752 /nfs/dbraw/zinc/50/07/52/502500752.db2.gz JGQXBGFMECBSCG-UHFFFAOYSA-N -1 3 369.826 3.361 20 0 FGADHM C[C@H](COCc1ccccc1)[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000462603743 502504016 /nfs/dbraw/zinc/50/40/16/502504016.db2.gz BIYMXLBQZWULRX-GFCCVEGCSA-N -1 3 357.834 3.363 20 0 FGADHM CC[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)c1c(C)nn(C)c1C ZINC000462610914 502506905 /nfs/dbraw/zinc/50/69/05/502506905.db2.gz DURLPNQYLXVFBX-GFCCVEGCSA-N -1 3 359.854 3.259 20 0 FGADHM Cn1cc([C@H]([N-]C(=O)c2cc(F)c(Cl)cc2F)C(F)(F)F)cn1 ZINC000487748105 502520373 /nfs/dbraw/zinc/52/03/73/502520373.db2.gz IDSORGWMALEGGD-NSHDSACASA-N -1 3 353.678 3.385 20 0 FGADHM Cc1nc(-c2ccc(NC(=O)N[C@@H](C)Cc3ccncc3)cc2)cc(=O)[n-]1 ZINC000487754448 502522795 /nfs/dbraw/zinc/52/27/95/502522795.db2.gz LYWRKUBMNZBMLH-ZDUSSCGKSA-N -1 3 363.421 3.305 20 0 FGADHM CCCCOCCOCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000462660336 502525510 /nfs/dbraw/zinc/52/55/10/502525510.db2.gz RRGJGEQMNHQXNF-UHFFFAOYSA-N -1 3 370.298 3.105 20 0 FGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)CNc2cccc(Cl)c2)c1 ZINC000607915198 506318664 /nfs/dbraw/zinc/31/86/64/506318664.db2.gz FJCKGHYRJRCGHU-UHFFFAOYSA-N -1 3 367.858 3.071 20 0 FGADHM Cc1c(S(=O)(=O)[N-]CCC(F)(F)F)cnn1-c1ccc(Cl)cc1 ZINC000462656232 502524510 /nfs/dbraw/zinc/52/45/10/502524510.db2.gz 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FGADHM CC(C)(C)[C@H](CO)[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000480696314 502646164 /nfs/dbraw/zinc/64/61/64/502646164.db2.gz WPODLLCMPXVTDW-LBPRGKRZSA-N -1 3 374.915 3.149 20 0 FGADHM COC(=O)c1ccc(C(=O)[N-]c2n[nH]c(-c3ccccc3Cl)n2)c(F)c1 ZINC000477020713 502651266 /nfs/dbraw/zinc/65/12/66/502651266.db2.gz ZAINQKPBXZXJSX-UHFFFAOYSA-N -1 3 374.759 3.303 20 0 FGADHM Cc1ccc(C[C@H](CO)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000466735685 502658842 /nfs/dbraw/zinc/65/88/42/502658842.db2.gz LYYDSNHXAXVJDA-CQSZACIVSA-N -1 3 374.289 3.184 20 0 FGADHM CCN(CC)c1nc2sc(C(=O)NCc3ncccc3[O-])cc2s1 ZINC000473639204 502663907 /nfs/dbraw/zinc/66/39/07/502663907.db2.gz OSUQIOITYUKUSQ-UHFFFAOYSA-N -1 3 362.480 3.235 20 0 FGADHM CCOc1ccc(Nc2ncccc2C(=O)NCc2ncccc2[O-])cc1 ZINC000473642813 502664836 /nfs/dbraw/zinc/66/48/36/502664836.db2.gz XSUMHSKJQJQOEU-UHFFFAOYSA-N -1 3 364.405 3.255 20 0 FGADHM CCn1c(=O)[n-]nc1S[C@@H](C(=O)OC)c1ccc(Cl)cc1Cl ZINC000463030337 502666632 /nfs/dbraw/zinc/66/66/32/502666632.db2.gz 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502710187 /nfs/dbraw/zinc/71/01/87/502710187.db2.gz FOMYTHPBBWYFNL-UHFFFAOYSA-N -1 3 366.392 3.234 20 0 FGADHM CO[C@]1(C)C[C@H]([N-]S(=O)(=O)c2cccc(Cl)c2Cl)C1(C)C ZINC000466876369 502710625 /nfs/dbraw/zinc/71/06/25/502710625.db2.gz FKEOPZVUFMJBLD-SMDDNHRTSA-N -1 3 352.283 3.475 20 0 FGADHM CCOCCO[C@@H](C)C(=O)Nc1n[n-]c(-c2cc(Cl)ccc2Cl)n1 ZINC000463165924 502711163 /nfs/dbraw/zinc/71/11/63/502711163.db2.gz XUBGKUJUXOLCKH-VIFPVBQESA-N -1 3 373.240 3.159 20 0 FGADHM CO[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)C(C)C ZINC000466881949 502712721 /nfs/dbraw/zinc/71/27/21/502712721.db2.gz JWHSJCMGDOKVBM-NSHDSACASA-N -1 3 359.797 3.308 20 0 FGADHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(F)c(-c3nnc[nH]3)c2)c(C)c1 ZINC000470238258 502713182 /nfs/dbraw/zinc/71/31/82/502713182.db2.gz PTHXCDRJHGWYEA-UHFFFAOYSA-N -1 3 360.414 3.337 20 0 FGADHM C[C@H](NC(=O)c1ccc([N-]S(C)(=O)=O)cc1)c1c(F)cccc1Cl ZINC000477238853 502716338 /nfs/dbraw/zinc/71/63/38/502716338.db2.gz JUHBQGHAWAJBEW-JTQLQIEISA-N -1 3 370.833 3.342 20 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503355830 /nfs/dbraw/zinc/35/58/30/503355830.db2.gz CRPOGOXIEDPETG-UHFFFAOYSA-N -1 3 363.332 3.245 20 0 FGADHM CCCc1n[n-]c(=NC(=O)NC[C@@H](c2ccccc2)N(CC)CC)s1 ZINC000503158338 503356919 /nfs/dbraw/zinc/35/69/19/503356919.db2.gz DGYAVRZQFKZRTP-HNNXBMFYSA-N -1 3 361.515 3.117 20 0 FGADHM O=C(NCc1nc2cc(Cl)ccc2s1)c1cc(F)cc2nn[n-]c21 ZINC000503188348 503363669 /nfs/dbraw/zinc/36/36/69/503363669.db2.gz JBYYVCFLXXYPJW-UHFFFAOYSA-N -1 3 361.789 3.290 20 0 FGADHM O=C(NCc1nc2cc(Cl)ccc2s1)c1cc(F)cc2[n-]nnc21 ZINC000503188348 503363671 /nfs/dbraw/zinc/36/36/71/503363671.db2.gz JBYYVCFLXXYPJW-UHFFFAOYSA-N -1 3 361.789 3.290 20 0 FGADHM O=C(NCc1nc2cc(Cl)ccc2s1)c1cc(F)cc2n[n-]nc21 ZINC000503188348 503363675 /nfs/dbraw/zinc/36/36/75/503363675.db2.gz JBYYVCFLXXYPJW-UHFFFAOYSA-N -1 3 361.789 3.290 20 0 FGADHM Cn1[n-]c(=NC(=O)NC(C)(C)c2ccc(Cl)cc2)cc1OC(F)F ZINC000499306224 503376753 /nfs/dbraw/zinc/37/67/53/503376753.db2.gz JVVWCXBRZLBOTB-UHFFFAOYSA-N -1 3 358.776 3.154 20 0 FGADHM C[C@H]1CC[C@@H]1NC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000511879727 503407240 /nfs/dbraw/zinc/40/72/40/503407240.db2.gz MOGTWRKNOOJXAM-FZMZJTMJSA-N -1 3 365.861 3.204 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1cn2c(n1)CCCC2)c1nc(C(C)(C)C)cs1 ZINC000503448300 503412249 /nfs/dbraw/zinc/41/22/49/503412249.db2.gz QDVBNOQXWXHAFY-LLVKDONJSA-N -1 3 368.528 3.013 20 0 FGADHM O=C([O-])c1ccc(Cl)c(CN2CC[C@](O)(Cc3ccc(F)cc3)C2)c1 ZINC000515870783 503414425 /nfs/dbraw/zinc/41/44/25/503414425.db2.gz ZPCAPRBQZJTAEP-IBGZPJMESA-N -1 3 363.816 3.357 20 0 FGADHM CCCN(C(=O)c1cnc2c(cnn2C)c1[O-])[C@H]1CCc2ccccc21 ZINC000511916930 503415061 /nfs/dbraw/zinc/41/50/61/503415061.db2.gz QPAPBOOZSURZBH-KRWDZBQOSA-N -1 3 350.422 3.214 20 0 FGADHM Cn1ccnc1Sc1ccccc1NC(=O)c1cc(F)cc2[n-]nnc21 ZINC000503485111 503418963 /nfs/dbraw/zinc/41/89/63/503418963.db2.gz DOMYTTWPJIRKSK-UHFFFAOYSA-N -1 3 368.397 3.234 20 0 FGADHM Cn1ccnc1Sc1ccccc1NC(=O)c1cc(F)cc2nn[n-]c21 ZINC000503485111 503418969 /nfs/dbraw/zinc/41/89/69/503418969.db2.gz DOMYTTWPJIRKSK-UHFFFAOYSA-N -1 3 368.397 3.234 20 0 FGADHM Cn1ccnc1Sc1ccccc1NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000503485111 503418974 /nfs/dbraw/zinc/41/89/74/503418974.db2.gz DOMYTTWPJIRKSK-UHFFFAOYSA-N -1 3 368.397 3.234 20 0 FGADHM O=C(N[C@H]1C[C@@H]1c1ccccc1C(F)(F)F)c1cc(F)cc2nn[n-]c21 ZINC000503488115 503419436 /nfs/dbraw/zinc/41/94/36/503419436.db2.gz PUBNRTRQPFEUFC-MFKMUULPSA-N -1 3 364.302 3.402 20 0 FGADHM O=C(N[C@H]1C[C@@H]1c1ccccc1C(F)(F)F)c1cc(F)cc2[n-]nnc21 ZINC000503488115 503419437 /nfs/dbraw/zinc/41/94/37/503419437.db2.gz PUBNRTRQPFEUFC-MFKMUULPSA-N -1 3 364.302 3.402 20 0 FGADHM O=C(N[C@H]1C[C@@H]1c1ccccc1C(F)(F)F)c1cc(F)cc2n[n-]nc21 ZINC000503488115 503419441 /nfs/dbraw/zinc/41/94/41/503419441.db2.gz PUBNRTRQPFEUFC-MFKMUULPSA-N -1 3 364.302 3.402 20 0 FGADHM C[C@H](CC(=O)Nc1ccc(F)c([N-]S(C)(=O)=O)c1)c1ccc(F)cc1 ZINC000515917894 503419603 /nfs/dbraw/zinc/41/96/03/503419603.db2.gz DJBMUPOUCHJJIL-LLVKDONJSA-N -1 3 368.405 3.469 20 0 FGADHM COC[C@]1(C(=O)[O-])CCCN(Cc2ccc(Br)c(C)c2)C1 ZINC000516077192 503442320 /nfs/dbraw/zinc/44/23/20/503442320.db2.gz ZKORTMBXZRTCSF-INIZCTEOSA-N -1 3 356.260 3.071 20 0 FGADHM CCc1c(C(=O)Nc2nc3cccc(C(=O)OC)c3[n-]2)cnn1C(C)(C)C ZINC000503591083 503443212 /nfs/dbraw/zinc/44/32/12/503443212.db2.gz PHBOLSQUIPTPLR-UHFFFAOYSA-N -1 3 369.425 3.116 20 0 FGADHM CCc1c(C(=O)Nc2nc3c(cccc3C(=O)OC)[n-]2)cnn1C(C)(C)C ZINC000503591083 503443215 /nfs/dbraw/zinc/44/32/15/503443215.db2.gz PHBOLSQUIPTPLR-UHFFFAOYSA-N -1 3 369.425 3.116 20 0 FGADHM C[C@H]1SCCN(C(=O)c2cc(F)cc3[n-]nnc32)[C@@H]1c1ccccc1 ZINC000503634371 503449260 /nfs/dbraw/zinc/44/92/60/503449260.db2.gz HZDOKADUHDDHGX-DIFFPNOSSA-N -1 3 356.426 3.416 20 0 FGADHM C[C@H]1SCCN(C(=O)c2cc(F)cc3nn[n-]c32)[C@@H]1c1ccccc1 ZINC000503634371 503449263 /nfs/dbraw/zinc/44/92/63/503449263.db2.gz HZDOKADUHDDHGX-DIFFPNOSSA-N -1 3 356.426 3.416 20 0 FGADHM C[C@H]1SCCN(C(=O)c2cc(F)cc3n[n-]nc32)[C@@H]1c1ccccc1 ZINC000503634371 503449266 /nfs/dbraw/zinc/44/92/66/503449266.db2.gz HZDOKADUHDDHGX-DIFFPNOSSA-N -1 3 356.426 3.416 20 0 FGADHM Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc([N-]S(C)(=O)=O)cc1)[C@H](C)C2 ZINC000503678910 503457390 /nfs/dbraw/zinc/45/73/90/503457390.db2.gz HWLWEPRSNONYAC-ACJLOTCBSA-N -1 3 358.463 3.030 20 0 FGADHM O=C(Nc1c(-c2ccco2)nc2ccccn21)c1cc(F)cc2[n-]nnc21 ZINC000503721448 503464770 /nfs/dbraw/zinc/46/47/70/503464770.db2.gz KJRVEPFJDOIRNE-UHFFFAOYSA-N -1 3 362.324 3.257 20 0 FGADHM O=C(Nc1c(-c2ccco2)nc2ccccn21)c1cc(F)cc2nn[n-]c21 ZINC000503721448 503464773 /nfs/dbraw/zinc/46/47/73/503464773.db2.gz KJRVEPFJDOIRNE-UHFFFAOYSA-N -1 3 362.324 3.257 20 0 FGADHM O=C(Nc1c(-c2ccco2)nc2ccccn21)c1cc(F)cc2n[n-]nc21 ZINC000503721448 503464776 /nfs/dbraw/zinc/46/47/76/503464776.db2.gz KJRVEPFJDOIRNE-UHFFFAOYSA-N -1 3 362.324 3.257 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCOc3c(Br)cccc32)o1 ZINC000499719065 503466110 /nfs/dbraw/zinc/46/61/10/503466110.db2.gz NFKGYHNVCLADKA-GFCCVEGCSA-N -1 3 372.240 3.153 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)[C@H]1CCCOC1 ZINC000503767117 503469620 /nfs/dbraw/zinc/46/96/20/503469620.db2.gz UXPPERXPSFRYIN-ZJUUUORDSA-N -1 3 371.808 3.452 20 0 FGADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@H](C)CC(C)C ZINC000503835717 503477406 /nfs/dbraw/zinc/47/74/06/503477406.db2.gz ZOZUZAOGCSFUDO-SECBINFHSA-N -1 3 368.268 3.310 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-]C(C)(C)COCc1ccccc1 ZINC000499769085 503477825 /nfs/dbraw/zinc/47/78/25/503477825.db2.gz ZSXQUDMDDBPEDH-UHFFFAOYSA-N -1 3 355.481 3.030 20 0 FGADHM CS(=O)(=O)[N-]c1cc(NC(=O)Cc2c(F)cccc2Cl)ccc1F ZINC000494055569 503480691 /nfs/dbraw/zinc/48/06/91/503480691.db2.gz VIXWENUXDCKAQO-UHFFFAOYSA-N -1 3 374.796 3.171 20 0 FGADHM O=C(NCCCNC(=O)c1cccc([O-])c1)c1cc2ccccc2s1 ZINC000508380481 503485258 /nfs/dbraw/zinc/48/52/58/503485258.db2.gz FERIHUCEDMPMCH-UHFFFAOYSA-N -1 3 354.431 3.157 20 0 FGADHM CC(C)Oc1ccc(CC[C@@H](C)[N-]S(=O)(=O)c2cncc(F)c2)cc1 ZINC000588903938 506374767 /nfs/dbraw/zinc/37/47/67/506374767.db2.gz CXFAQQSNXHNQSZ-CQSZACIVSA-N -1 3 366.458 3.308 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)CCc3nc4ccccc4o3)[n-]c21 ZINC000494121883 503491498 /nfs/dbraw/zinc/49/14/98/503491498.db2.gz QOGBHXCOIAUXAD-UHFFFAOYSA-N -1 3 364.361 3.062 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)CCc3nc4ccccc4o3)nc21 ZINC000494121883 503491503 /nfs/dbraw/zinc/49/15/03/503491503.db2.gz QOGBHXCOIAUXAD-UHFFFAOYSA-N -1 3 364.361 3.062 20 0 FGADHM COc1ccccc1C1(C[N-]S(=O)(=O)c2ccc(F)cc2Cl)CC1 ZINC000503942678 503494430 /nfs/dbraw/zinc/49/44/30/503494430.db2.gz BXDAWLSIKCBWRK-UHFFFAOYSA-N -1 3 369.845 3.498 20 0 FGADHM CC(C)Oc1ccc(NC(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)cc1 ZINC000512269310 503504462 /nfs/dbraw/zinc/50/44/62/503504462.db2.gz WJDOJNVDIUFZED-UHFFFAOYSA-N -1 3 366.414 3.237 20 0 FGADHM Cc1noc(C)c1S(=O)(=O)[N-]CC1(c2ccc(Cl)cc2)CCC1 ZINC000588910813 506377608 /nfs/dbraw/zinc/37/76/08/506377608.db2.gz SHQICWIAZGPXIY-UHFFFAOYSA-N -1 3 354.859 3.345 20 0 FGADHM O=C(NCc1cccc(OCc2ccccn2)c1)c1ccc(O)cc1[O-] ZINC000611966914 506377937 /nfs/dbraw/zinc/37/79/37/506377937.db2.gz UTQTYTPYQSDABL-UHFFFAOYSA-N -1 3 350.374 3.002 20 0 FGADHM Cc1cc(C(=O)N[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)cc2)ccc1[O-] ZINC000500063071 503543735 /nfs/dbraw/zinc/54/37/35/503543735.db2.gz CYHHSWCTXXIDBK-CRAIPNDOSA-N -1 3 358.825 3.056 20 0 FGADHM O=S(=O)([N-]CC1CCSCC1)c1cc(C(F)(F)F)ccc1F ZINC000500142663 503563798 /nfs/dbraw/zinc/56/37/98/503563798.db2.gz GOQBHFXGYUJZBP-UHFFFAOYSA-N -1 3 357.394 3.266 20 0 FGADHM Cc1nc2ccccc2n1Cc1cc(NC(=O)c2nc[n-]n2)ccc1Cl ZINC000512527944 503577415 /nfs/dbraw/zinc/57/74/15/503577415.db2.gz ABVCDUKGODBMKH-UHFFFAOYSA-N -1 3 366.812 3.417 20 0 FGADHM CCN(CC)[C@H](C)C[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000508876141 503585462 /nfs/dbraw/zinc/58/54/62/503585462.db2.gz XWBQOQWKGCBRTD-SNVBAGLBSA-N -1 3 372.840 3.367 20 0 FGADHM C[C@@H]1C[C@H](c2ccccc2)CCN1C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000500249787 503588526 /nfs/dbraw/zinc/58/85/26/503588526.db2.gz KNQOFUZZOSAMKP-UKRRQHHQSA-N -1 3 363.417 3.370 20 0 FGADHM Cc1cc(C(=O)NC[C@H](CO)Cc2ccccc2C(F)(F)F)ccc1[O-] ZINC000500305647 503599959 /nfs/dbraw/zinc/59/99/59/503599959.db2.gz PXBFRRLLSWYANE-CYBMUJFWSA-N -1 3 367.367 3.300 20 0 FGADHM Cc1ccnc(-c2n[nH]c([C@H](C)NC(=O)c3cc([O-])ccc3Cl)n2)c1 ZINC000508919374 503600603 /nfs/dbraw/zinc/60/06/03/503600603.db2.gz YACLWRWCSNRULH-JTQLQIEISA-N -1 3 357.801 3.025 20 0 FGADHM [O-]c1ccc(F)c(CN2CCC(O)(Cc3cccc(F)c3)CC2)c1F ZINC000512638251 503600726 /nfs/dbraw/zinc/60/07/26/503600726.db2.gz HLLDGLNZCQLVHU-UHFFFAOYSA-N -1 3 351.368 3.379 20 0 FGADHM COC[C@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C(C)C ZINC000608029186 506382101 /nfs/dbraw/zinc/38/21/01/506382101.db2.gz YZFOGBDNFUIBKZ-NSHDSACASA-N -1 3 359.797 3.308 20 0 FGADHM CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)CNC(=O)c1cccc([O-])c1 ZINC000494817942 503616337 /nfs/dbraw/zinc/61/63/37/503616337.db2.gz IDACEXISRSJQKR-UXHICEINSA-N -1 3 366.461 3.307 20 0 FGADHM COC(=O)[C@@H](NC(=O)c1cc([O-])ccc1Cl)c1ccc(F)c(C)c1 ZINC000500417494 503619698 /nfs/dbraw/zinc/61/96/98/503619698.db2.gz YLVOQMZFECQRGR-HNNXBMFYSA-N -1 3 351.761 3.137 20 0 FGADHM COc1cccc(CC[N-]S(=O)(=O)c2csc(-c3ccccc3)n2)c1 ZINC000500424370 503621848 /nfs/dbraw/zinc/62/18/48/503621848.db2.gz VFMWMGPNASGHGK-UHFFFAOYSA-N -1 3 374.487 3.340 20 0 FGADHM CCOC(=O)c1c(C)csc1[N-]C(=O)c1coc(C2CCOCC2)n1 ZINC000509033765 503625120 /nfs/dbraw/zinc/62/51/20/503625120.db2.gz NDHUHHCKHIPEIO-UHFFFAOYSA-N -1 3 364.423 3.368 20 0 FGADHM CC(C)c1cc(C(=O)NCC(=O)Nc2cccnc2)c([O-])c(C(C)C)c1 ZINC000512808537 503636931 /nfs/dbraw/zinc/63/69/31/503636931.db2.gz CXCOYOWQFVFPLO-UHFFFAOYSA-N -1 3 355.438 3.403 20 0 FGADHM CN(C)c1ccc(CNC(=O)c2c[n-]nc2-c2ccc(Cl)s2)cn1 ZINC000495014180 503649339 /nfs/dbraw/zinc/64/93/39/503649339.db2.gz BXBMXNXWZJCQHD-UHFFFAOYSA-N -1 3 361.858 3.183 20 0 FGADHM CC[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC000546184457 503662267 /nfs/dbraw/zinc/66/22/67/503662267.db2.gz MNYHWWRAFMFHOO-QMMMGPOBSA-N -1 3 350.284 3.110 20 0 FGADHM COc1cc(C(=O)NC[C@@H]2CCN2C2CCCCC2)cc(Cl)c1[O-] ZINC000529716837 503675793 /nfs/dbraw/zinc/67/57/93/503675793.db2.gz FMQRSSULOKRZIQ-AWEZNQCLSA-N -1 3 352.862 3.191 20 0 FGADHM O=C(NCc1cccc(COCc2ccco2)c1)NCc1ncccc1[O-] ZINC000527154681 503699572 /nfs/dbraw/zinc/69/95/72/503699572.db2.gz NQQIRLJDBUHKFD-UHFFFAOYSA-N -1 3 367.405 3.096 20 0 FGADHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1ccc(C)cc1Sc1ccccc1 ZINC000543281867 503710484 /nfs/dbraw/zinc/71/04/84/503710484.db2.gz WBQDQPBLDHRZMG-MRXNPFEDSA-N -1 3 367.474 3.388 20 0 FGADHM COc1cc(Cl)c(S(=O)(=O)[N-]CC(C)(C)CCCO)cc1Cl ZINC000536756587 503714469 /nfs/dbraw/zinc/71/44/69/503714469.db2.gz LJXPJZIYLMEPQL-UHFFFAOYSA-N -1 3 370.298 3.079 20 0 FGADHM Cc1ncc(CNC(=O)Nc2cccc(OCC(F)(F)F)c2C)c(=O)[n-]1 ZINC000543304357 503717121 /nfs/dbraw/zinc/71/71/21/503717121.db2.gz BFFMYGVTAWRKFM-UHFFFAOYSA-N -1 3 370.331 3.062 20 0 FGADHM CN(Cc1ccc2c(c1)OCCO2)C(=O)c1cc([O-])ccc1C(F)(F)F ZINC000527215743 503722306 /nfs/dbraw/zinc/72/23/06/503722306.db2.gz CXGGTELDRCXSQY-UHFFFAOYSA-N -1 3 367.323 3.454 20 0 FGADHM O=S(=O)([N-]CCNC/C=C/c1ccc(F)cc1)c1ccc(Cl)s1 ZINC000533103579 503732312 /nfs/dbraw/zinc/73/23/12/503732312.db2.gz KAJKVYKWPNAOFW-OWOJBTEDSA-N -1 3 374.890 3.122 20 0 FGADHM CCSCc1noc([C@@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000546424651 503744634 /nfs/dbraw/zinc/74/46/34/503744634.db2.gz MQMMPRBTGHTCAB-SECBINFHSA-N -1 3 361.876 3.016 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N[C@H]3COc4ccc(Cl)cc43)c[n-]c12 ZINC000533185011 503752975 /nfs/dbraw/zinc/75/29/75/503752975.db2.gz OBZNGJJQRNSWMC-HNNXBMFYSA-N -1 3 372.783 3.493 20 0 FGADHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C)o1)c1nc(C(F)(F)F)cs1 ZINC000536899046 503753847 /nfs/dbraw/zinc/75/38/47/503753847.db2.gz BNACODGGXIIYMU-MRVPVSSYSA-N -1 3 354.375 3.493 20 0 FGADHM COc1ccc([O-])c(C(=O)N2CCC[C@]3(CCc4ccccc4O3)C2)c1 ZINC000529911390 503754993 /nfs/dbraw/zinc/75/49/93/503754993.db2.gz XMRDTSLHEYDDIC-NRFANRHFSA-N -1 3 353.418 3.401 20 0 FGADHM C[C@H](NC(=O)[C@H](C)N1CCC[C@H](CC(=O)[O-])C1)c1cc2ccccc2o1 ZINC000533202928 503759245 /nfs/dbraw/zinc/75/92/45/503759245.db2.gz XGVLGGCIBFDCCG-SOUVJXGZSA-N -1 3 358.438 3.185 20 0 FGADHM O=S(=O)([N-][C@@H]1C[C@H]1C1CC1)c1ccc(Cl)cc1Br ZINC000543415465 503761026 /nfs/dbraw/zinc/76/10/26/503761026.db2.gz WYENJXDHWXQJGK-GXSJLCMTSA-N -1 3 350.665 3.179 20 0 FGADHM CCCc1ncc(C(=O)[N-]c2cccnc2SCCC(=O)OC)s1 ZINC000543419977 503761964 /nfs/dbraw/zinc/76/19/64/503761964.db2.gz RYRUNHHEXNFBOX-UHFFFAOYSA-N -1 3 365.480 3.398 20 0 FGADHM Cc1ccnc2[nH]c(Cc3noc(-c4cc5c(cc4[O-])CCCC5)n3)nc21 ZINC000546480078 503763145 /nfs/dbraw/zinc/76/31/45/503763145.db2.gz WBNWEQCCQZZLPQ-UHFFFAOYSA-N -1 3 361.405 3.492 20 0 FGADHM CCc1c(C(=O)N=c2cc(-c3ccccc3C)[n-][nH]2)cnn1-c1ccccn1 ZINC000540419005 503765769 /nfs/dbraw/zinc/76/57/69/503765769.db2.gz DLTBBIKTCFTIFN-UHFFFAOYSA-N -1 3 372.432 3.202 20 0 FGADHM CO[C@@H]1CCC[C@H]1C[N-]S(=O)(=O)c1oc2ccc(Cl)cc2c1C ZINC000537018393 503779057 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CCCC(CCC)c1nc(-c2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)no1 ZINC000544362630 504103756 /nfs/dbraw/zinc/10/37/56/504103756.db2.gz NQMYZMXEPDEYEX-IBGZPJMESA-N -1 3 356.426 3.475 20 0 FGADHM CCCCS[C@H](C)c1nc(-c2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)no1 ZINC000544372753 504107320 /nfs/dbraw/zinc/10/73/20/504107320.db2.gz HMLYYLRTJIMFDZ-ADLMAVQZSA-N -1 3 374.466 3.386 20 0 FGADHM O=C([O-])c1cnc2ccccc2c1N1CCCN(Cc2cscn2)CC1 ZINC000518985124 504110854 /nfs/dbraw/zinc/11/08/54/504110854.db2.gz NWOGMOBZJYKJIX-UHFFFAOYSA-N -1 3 368.462 3.102 20 0 FGADHM CC1CCC([N-]S(=O)(=O)Cc2nc(CC3CCCCC3)no2)CC1 ZINC000544413960 504123706 /nfs/dbraw/zinc/12/37/06/504123706.db2.gz VUDTVMOGUOEHHE-UHFFFAOYSA-N -1 3 355.504 3.191 20 0 FGADHM COC(=O)[C@H](NC(=O)c1cccc([O-])c1)c1ccc(Cl)cc1Cl ZINC000541446262 504132327 /nfs/dbraw/zinc/13/23/27/504132327.db2.gz MVRFNZMMHFYDJK-CQSZACIVSA-N -1 3 354.189 3.343 20 0 FGADHM O=S(=O)([N-]C[C@@H](CO)Cc1ccccc1)c1cc(Cl)cc(Cl)c1 ZINC000534407472 504133526 /nfs/dbraw/zinc/13/35/26/504133526.db2.gz YVCLMMFHEYFKQH-ZDUSSCGKSA-N -1 3 374.289 3.123 20 0 FGADHM CC(C)c1nc(=NCCCCN2CCN(c3ccccc3)CC2)s[n-]1 ZINC000530932464 504134393 /nfs/dbraw/zinc/13/43/93/504134393.db2.gz SBKPPLXNBRTJQI-UHFFFAOYSA-N -1 3 359.543 3.098 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)c1nccnc1Sc1ccccc1 ZINC000541466184 504139245 /nfs/dbraw/zinc/13/92/45/504139245.db2.gz YBYONCMQGAIGFW-UHFFFAOYSA-N -1 3 355.394 3.403 20 0 FGADHM Cc1ccc([O-])c(NC(=O)[C@H](C)Oc2ccc(F)cc2Br)n1 ZINC000541533107 504166283 /nfs/dbraw/zinc/16/62/83/504166283.db2.gz YLFVBGMDWOXUAX-VIFPVBQESA-N -1 3 369.190 3.403 20 0 FGADHM Cc1ccc(CS(=O)(=O)[N-]CC(=O)c2ccccc2Cl)cc1C ZINC000519220664 504167954 /nfs/dbraw/zinc/16/79/54/504167954.db2.gz RHEQODFISKAHBM-UHFFFAOYSA-N -1 3 351.855 3.259 20 0 FGADHM COc1cccc(OC(F)(F)F)c1S(=O)(=O)[N-][C@@H]1CCCC1(C)C ZINC000528342098 504178424 /nfs/dbraw/zinc/17/84/24/504178424.db2.gz XTFPKLILQJBADA-GFCCVEGCSA-N -1 3 367.389 3.451 20 0 FGADHM CO[C@@H]1[C@H](C)[C@@H](NC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)C1(C)C ZINC000538282718 504187671 /nfs/dbraw/zinc/18/76/71/504187671.db2.gz MITKNGXVJYEFPE-HWOJHCLVSA-N -1 3 370.453 3.339 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCO[C@H](c3ccc(F)cc3)C2)c(F)c1 ZINC000544671554 504211738 /nfs/dbraw/zinc/21/17/38/504211738.db2.gz HUMBARBYSWZIAV-RDJZCZTQSA-N -1 3 367.417 3.472 20 0 FGADHM COc1cccc(OC(F)(F)F)c1S(=O)(=O)[N-][C@@H]1C[C@@]1(C)C(C)C ZINC000528413741 504213001 /nfs/dbraw/zinc/21/30/01/504213001.db2.gz FLHUNELMGUTBBU-OCCSQVGLSA-N -1 3 367.389 3.307 20 0 FGADHM Cc1cc(C)c2ncc(C(=O)[O-])c(N3CC[C@H](c4nccn4C)C3)c2c1 ZINC000519407376 504214405 /nfs/dbraw/zinc/21/44/05/504214405.db2.gz IFFQRQWMESNYMJ-AWEZNQCLSA-N -1 3 350.422 3.277 20 0 FGADHM O=C(Nc1cc(F)ccc1[O-])[C@@H]1CCCN1c1ncnc2ccccc21 ZINC000534705769 504220052 /nfs/dbraw/zinc/22/00/52/504220052.db2.gz PFMKFGIVHMLHIU-INIZCTEOSA-N -1 3 352.369 3.082 20 0 FGADHM O=S(=O)([N-]CCOCC1CC1)c1cc(C(F)(F)F)ccc1Cl ZINC000519431948 504220394 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/nfs/dbraw/zinc/75/47/20/504754720.db2.gz KZMKWDKOZILKMA-OAHLLOKOSA-N -1 3 364.239 3.181 20 0 FGADHM O=S(=O)([N-]c1cccc(-c2cnco2)c1)c1ccc2c(c1)CCCO2 ZINC000540038873 504764151 /nfs/dbraw/zinc/76/41/51/504764151.db2.gz RDRSAIBBLKQPBR-UHFFFAOYSA-N -1 3 356.403 3.467 20 0 FGADHM CCC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)OC)oc1C)c1ccccc1 ZINC000532855288 504768004 /nfs/dbraw/zinc/76/80/04/504768004.db2.gz PNIHYLFBDODYCM-CQSZACIVSA-N -1 3 351.424 3.194 20 0 FGADHM C[C@@H](C(=O)N(C)Cc1c(F)cccc1Cl)N1CCC[C@H](CC(=O)[O-])C1 ZINC000532880847 504771042 /nfs/dbraw/zinc/77/10/42/504771042.db2.gz CDHKNBHBAQHTHO-QWHCGFSZSA-N -1 3 370.852 3.013 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F)c1ccccc1Cl ZINC000559069469 504773026 /nfs/dbraw/zinc/77/30/26/504773026.db2.gz IDTZOJNUAKLWFS-QMMMGPOBSA-N -1 3 367.780 3.132 20 0 FGADHM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-][C@H]1CCC[C@H](C(C)C)C1 ZINC000555963714 504773465 /nfs/dbraw/zinc/77/34/65/504773465.db2.gz GCBSRGRBASXNHN-JSGCOSHPSA-N -1 3 357.447 3.105 20 0 FGADHM O=C(N=c1cc2ccccn2[n-]1)N[C@@H]1CCCOc2cc(Cl)ccc21 ZINC000562296145 504775543 /nfs/dbraw/zinc/77/55/43/504775543.db2.gz ANSRNEZLNXNLKA-OAHLLOKOSA-N -1 3 356.813 3.445 20 0 FGADHM Cc1cc(-n2c([O-])c(CC(F)(F)F)[nH]c2=O)ccc1C(=O)OC(C)(C)C ZINC000556023021 504780074 /nfs/dbraw/zinc/78/00/74/504780074.db2.gz DIXXKDZFJFRGEK-LBPRGKRZSA-N -1 3 372.343 3.328 20 0 FGADHM COC(=O)c1csc([N-]C(=O)c2oc(COC(C)(C)C)nc2C)c1 ZINC000565047815 504780632 /nfs/dbraw/zinc/78/06/32/504780632.db2.gz PQBXBYPXFSFRTK-UHFFFAOYSA-N -1 3 352.412 3.399 20 0 FGADHM COc1cc(Cl)c(S(=O)(=O)[N-]CCC2(OC)CCC2)cc1Cl ZINC000559106348 504783132 /nfs/dbraw/zinc/78/31/32/504783132.db2.gz VZEMWCLPXIJJMQ-UHFFFAOYSA-N -1 3 368.282 3.240 20 0 FGADHM C[C@@H]1CCCN(Cc2csc(NC(=O)c3cc(=O)[n-]c(C4CC4)n3)n2)C1 ZINC000552906342 504786381 /nfs/dbraw/zinc/78/63/81/504786381.db2.gz YYJBGLJLZGLDGB-LLVKDONJSA-N -1 3 373.482 3.000 20 0 FGADHM COc1cc(OC)cc([C@@H](C(=O)[O-])N(C)Cc2ccc(F)c(F)c2)c1 ZINC000565101665 504793890 /nfs/dbraw/zinc/79/38/90/504793890.db2.gz SBKUVESWPPSJKC-KRWDZBQOSA-N -1 3 351.349 3.240 20 0 FGADHM O=C([O-])CCN(Cc1ccc(F)c(F)c1)C[C@@H](O)CCc1ccccc1 ZINC000565107078 504794894 /nfs/dbraw/zinc/79/48/94/504794894.db2.gz TWJOGMCFZUBDKI-KRWDZBQOSA-N -1 3 363.404 3.235 20 0 FGADHM Cn1c(CNCC2(C(=O)[O-])CCCC2)nc2cc(C(F)(F)F)ccc21 ZINC000559159100 504795328 /nfs/dbraw/zinc/79/53/28/504795328.db2.gz FZFBUVJLQGUOJG-UHFFFAOYSA-N -1 3 355.360 3.327 20 0 FGADHM C[C@H](NC(=O)c1ccccc1)C(=O)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000556130992 504803109 /nfs/dbraw/zinc/80/31/09/504803109.db2.gz FBMDOJLYHZSAEL-JTQLQIEISA-N -1 3 352.312 3.168 20 0 FGADHM C[C@H](OC[C@@H](O)COc1ccc2c([O-])coc2c1)c1ccc(Cl)cc1 ZINC000559283396 504820203 /nfs/dbraw/zinc/82/02/03/504820203.db2.gz WPFVRTOTHGSAKB-SWLSCSKDSA-N -1 3 362.809 3.433 20 0 FGADHM Cc1ncc(CNC(=O)c2cc(Cl)c(C)cc2Br)c(=O)[n-]1 ZINC000553125308 504832881 /nfs/dbraw/zinc/83/28/81/504832881.db2.gz FYTRELAYCCCTIY-UHFFFAOYSA-N -1 3 370.634 3.145 20 0 FGADHM C[C@@H](O)C[C@@H](C[N-]S(=O)(=O)c1cc(F)cc(Cl)c1)c1ccccc1 ZINC000559325057 504834363 /nfs/dbraw/zinc/83/43/63/504834363.db2.gz IHPCJRTVGSPIMI-OCCSQVGLSA-N -1 3 371.861 3.312 20 0 FGADHM Cc1c(C(=O)[N-]c2cc(F)cc(F)c2F)nnn1Cc1ccc(F)cc1 ZINC000565262192 504836543 /nfs/dbraw/zinc/83/65/43/504836543.db2.gz JBOXOFUHCVFEFH-UHFFFAOYSA-N -1 3 364.302 3.444 20 0 FGADHM C[C@H](c1ccccc1)N1CC[C@@H](N=c2[n-]nc(C3CCOCC3)s2)C1 ZINC000549498746 504836978 /nfs/dbraw/zinc/83/69/78/504836978.db2.gz HRQWHGMMICAWOB-RHSMWYFYSA-N -1 3 358.511 3.101 20 0 FGADHM CN(C)Cc1ccc(S(=O)(=O)[N-]c2nc3ccsc3s2)cc1 ZINC000556306008 504841040 /nfs/dbraw/zinc/84/10/40/504841040.db2.gz WLYJNZMZYGGBAM-UHFFFAOYSA-N -1 3 353.494 3.220 20 0 FGADHM O=C(CCc1ccc2ccccc2c1[O-])N[C@@H]1CCOC2(CCOCC2)C1 ZINC000562530837 504848768 /nfs/dbraw/zinc/84/87/68/504848768.db2.gz BYEXANGJJOJLLX-GOSISDBHSA-N -1 3 369.461 3.322 20 0 FGADHM O=S(=O)([N-][C@@H](c1cncc(Br)c1)C1CC1)c1cccs1 ZINC000556353499 504852483 /nfs/dbraw/zinc/85/24/83/504852483.db2.gz BMWCFUDITCVZRW-CYBMUJFWSA-N -1 3 373.297 3.335 20 0 FGADHM CCN(CC)c1ccc(C[N-]S(=O)(=O)c2cc(Cl)ccc2F)cn1 ZINC000556374592 504857329 /nfs/dbraw/zinc/85/73/29/504857329.db2.gz CKDDWJUDPBGJDA-UHFFFAOYSA-N -1 3 371.865 3.199 20 0 FGADHM COc1cc(Br)c(C=Cc2nc(C)cc(=O)[n-]2)cc1OC ZINC000549617754 504861336 /nfs/dbraw/zinc/86/13/36/504861336.db2.gz MQXVOLPFSXTMGW-SNAWJCMRSA-N -1 3 351.200 3.441 20 0 FGADHM Cc1ccc([C@H]2[C@@H](C)CCCN2C(=O)c2cc(=O)[n-]c(N(C)C)n2)cc1 ZINC000549716855 504879413 /nfs/dbraw/zinc/87/94/13/504879413.db2.gz ZJUJPKIFNUEYCQ-KBXCAEBGSA-N -1 3 354.454 3.170 20 0 FGADHM CCC[C@@H]([N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F)c1ccccc1 ZINC000549728174 504882156 /nfs/dbraw/zinc/88/21/56/504882156.db2.gz MXWZRQHLDSTUDY-GFCCVEGCSA-N -1 3 361.389 3.259 20 0 FGADHM O=C(Nc1ccc(NC[C@H]2CCCO2)c(F)c1)c1cc(C(F)(F)F)n[n-]1 ZINC000549765344 504891755 /nfs/dbraw/zinc/89/17/55/504891755.db2.gz YHGVGAKGVLEDPM-SNVBAGLBSA-N -1 3 372.322 3.411 20 0 FGADHM O=C(Nc1ccc(NC[C@H]2CCCO2)c(F)c1)c1cc(C(F)(F)F)[n-]n1 ZINC000549765344 504891763 /nfs/dbraw/zinc/89/17/63/504891763.db2.gz YHGVGAKGVLEDPM-SNVBAGLBSA-N -1 3 372.322 3.411 20 0 FGADHM Cc1nc(-c2cccc(NC(=O)c3c[n-]c4ccncc4c3=O)c2)oc1C ZINC000553355724 504892668 /nfs/dbraw/zinc/89/26/68/504892668.db2.gz JYLYKFKPCANXOO-UHFFFAOYSA-N -1 3 360.373 3.447 20 0 FGADHM O=S(=O)(CCC1Cc2ccccc2C1)[N-]c1ccc(F)c(F)c1O ZINC000565484549 504901861 /nfs/dbraw/zinc/90/18/61/504901861.db2.gz UWGFHONSKPMYGK-UHFFFAOYSA-N -1 3 353.390 3.217 20 0 FGADHM NC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)CCc1ccc2ccccc2c1[O-] ZINC000562682225 504907818 /nfs/dbraw/zinc/90/78/18/504907818.db2.gz HLPXGRKQNNUYJB-MSOLQXFVSA-N -1 3 354.450 3.028 20 0 FGADHM COCc1cc(C(=O)[N-]c2nc3c(cccc3Br)s2)no1 ZINC000553411556 504908462 /nfs/dbraw/zinc/90/84/62/504908462.db2.gz YAYXVUWUGYKDKS-UHFFFAOYSA-N -1 3 368.212 3.446 20 0 FGADHM CCc1noc(C)c1C[N-]S(=O)(=O)c1cc2c(c(Cl)c1)O[C@H](C)C2 ZINC000549863477 504921036 /nfs/dbraw/zinc/92/10/36/504921036.db2.gz JHXZLIGJPPKPLT-SECBINFHSA-N -1 3 370.858 3.001 20 0 FGADHM Cc1csc(S(=O)(=O)[N-][C@H](CO)c2ccc(C(F)(F)F)cc2)c1 ZINC000562723763 504922348 /nfs/dbraw/zinc/92/23/48/504922348.db2.gz LAOVUVVIIZBMJP-GFCCVEGCSA-N -1 3 365.398 3.087 20 0 FGADHM COc1cccc([C@H]2C[C@H]([N-]S(=O)(=O)c3cc(F)c(F)c(F)c3)C2)c1 ZINC000562730242 504925759 /nfs/dbraw/zinc/92/57/59/504925759.db2.gz LEOIUWCSNYINOF-HAQNSBGRSA-N -1 3 371.380 3.337 20 0 FGADHM CCC[C@H]([N-]S(=O)(=O)c1cnc(NC(C)=O)s1)C1CCCCC1 ZINC000553479066 504926526 /nfs/dbraw/zinc/92/65/26/504926526.db2.gz RQMGQPWNDKRPES-ZDUSSCGKSA-N -1 3 359.517 3.129 20 0 FGADHM COc1ccc(CN(C)C)cc1[N-]S(=O)(=O)Cc1ccc(C)cc1F ZINC000565637679 504944442 /nfs/dbraw/zinc/94/44/42/504944442.db2.gz RRLAODCBNBBPLH-UHFFFAOYSA-N -1 3 366.458 3.146 20 0 FGADHM COc1ccc([C@H](C)NC(=O)Cc2noc(-c3ccc(C)cc3[O-])n2)cc1 ZINC000559906432 504948313 /nfs/dbraw/zinc/94/83/13/504948313.db2.gz KGMMRTDTEFYUIJ-ZDUSSCGKSA-N -1 3 367.405 3.179 20 0 FGADHM Cc1ccc(Cl)c2ccc(N3CCC[C@@H]3C[C@@]3(C)NC(=O)[N-]C3=O)nc12 ZINC000553636050 504969532 /nfs/dbraw/zinc/96/95/32/504969532.db2.gz VPYHAHMVVYYAMW-CWTRNNRKSA-N -1 3 372.856 3.154 20 0 FGADHM COCC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1F)c1ccc(C)o1 ZINC000560038225 504975489 /nfs/dbraw/zinc/97/54/89/504975489.db2.gz VUYJLVOSHSOMEK-CYBMUJFWSA-N -1 3 361.822 3.437 20 0 FGADHM [O-]c1coc2cc(OC[C@H](O)CO[C@H]3CCCc4ccccc43)ccc12 ZINC000550174778 504985089 /nfs/dbraw/zinc/98/50/89/504985089.db2.gz HJTDESNUBWUGKG-YWZLYKJASA-N -1 3 354.402 3.096 20 0 FGADHM C[C@@H]1CN(C(=O)c2csc(=O)[n-]2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000553723892 504992000 /nfs/dbraw/zinc/99/20/00/504992000.db2.gz VQZZSEZERFZLHQ-RNCFNFMXSA-N -1 3 372.368 3.470 20 0 FGADHM O=C(c1cccc2[n-]nnc21)N1CCC[C@H]1c1ccc(Br)cn1 ZINC000562968888 505003267 /nfs/dbraw/zinc/00/32/67/505003267.db2.gz KRGHQXJNJKFQQL-AWEZNQCLSA-N -1 3 372.226 3.093 20 0 FGADHM O=C(c1cccc2nn[n-]c21)N1CCC[C@H]1c1ccc(Br)cn1 ZINC000562968888 505003271 /nfs/dbraw/zinc/00/32/71/505003271.db2.gz KRGHQXJNJKFQQL-AWEZNQCLSA-N -1 3 372.226 3.093 20 0 FGADHM O=C(c1cccc2n[n-]nc21)N1CCC[C@H]1c1ccc(Br)cn1 ZINC000562968888 505003274 /nfs/dbraw/zinc/00/32/74/505003274.db2.gz KRGHQXJNJKFQQL-AWEZNQCLSA-N -1 3 372.226 3.093 20 0 FGADHM COc1ccc(CCC[N-]S(=O)(=O)c2cccnc2C(F)(F)F)cc1 ZINC000553798477 505015082 /nfs/dbraw/zinc/01/50/82/505015082.db2.gz RAUIFGUTAFLNPS-UHFFFAOYSA-N -1 3 374.384 3.020 20 0 FGADHM O=S(=O)([N-][C@H](C1CC1)C(F)(F)F)c1ccc(OC(F)(F)F)cc1 ZINC000565943546 505034196 /nfs/dbraw/zinc/03/41/96/505034196.db2.gz SJGHUPGXWZCXMV-SNVBAGLBSA-N -1 3 363.279 3.204 20 0 FGADHM COc1ccc(NC(=O)c2cn3ccc(Br)cc3n2)c([O-])c1 ZINC000557009393 505042590 /nfs/dbraw/zinc/04/25/90/505042590.db2.gz JTIANIMCXWDPOG-UHFFFAOYSA-N -1 3 362.183 3.063 20 0 FGADHM CC(C)(C[N-]S(=O)(=O)c1ccccn1)c1ccc(Br)cc1 ZINC000550461854 505049865 /nfs/dbraw/zinc/04/98/65/505049865.db2.gz FDFNJBYXIQIJFC-UHFFFAOYSA-N -1 3 369.284 3.100 20 0 FGADHM O=C([O-])CCN(Cc1ccc(Br)cc1F)C1CCOCC1 ZINC000563124730 505055228 /nfs/dbraw/zinc/05/52/28/505055228.db2.gz JWWNCVSUEXYDGX-UHFFFAOYSA-N -1 3 360.223 3.044 20 0 FGADHM C[C@](O)(C1CCN(C(=O)c2cc([O-])ccc2Cl)CC1)C(F)(F)F ZINC000560377058 505064542 /nfs/dbraw/zinc/06/45/42/505064542.db2.gz LHICWPAMEMBZBQ-AWEZNQCLSA-N -1 3 351.752 3.211 20 0 FGADHM O=C([O-])[C@@H](c1cccc(Br)c1)N1CCC([C@H]2CCCO2)CC1 ZINC000563279602 505094666 /nfs/dbraw/zinc/09/46/66/505094666.db2.gz BSPFTTWAOBJWOL-HZPDHXFCSA-N -1 3 368.271 3.466 20 0 FGADHM COc1ccc(-n2c(CN3CC[C@@H](C(=O)[O-])[C@@H]3C)nc3ccccc32)cc1 ZINC000563290461 505098689 /nfs/dbraw/zinc/09/86/89/505098689.db2.gz UTQIAMCIJFUANK-WMLDXEAASA-N -1 3 365.433 3.329 20 0 FGADHM CCS(=O)(=O)c1ccc([C@@H](C)NC(=O)c2cc([O-])ccc2Cl)cc1 ZINC000560524969 505114965 /nfs/dbraw/zinc/11/49/65/505114965.db2.gz SJGBHEBHQOFIJG-LLVKDONJSA-N -1 3 367.854 3.330 20 0 FGADHM C[C@H](NC(=O)[C@H](C)N1CC[C@H](C)[C@@H](C(=O)[O-])C1)c1ccc2c(c1)CCCC2 ZINC000566221078 505116640 /nfs/dbraw/zinc/11/66/40/505116640.db2.gz NHGSSCNTXVBAPY-ULMVMLMRSA-N -1 3 372.509 3.174 20 0 FGADHM COc1ccc2cc([C@H](C)C(=O)N=c3[nH][n-]cc3Br)ccc2c1 ZINC000560542424 505120415 /nfs/dbraw/zinc/12/04/15/505120415.db2.gz QFVDMCHWJCYFNV-JTQLQIEISA-N -1 3 374.238 3.498 20 0 FGADHM Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)[N-]c1ncn(C)n1 ZINC000554227247 505120957 /nfs/dbraw/zinc/12/09/57/505120957.db2.gz ZGQWDFGGTANKPT-UHFFFAOYSA-N -1 3 352.181 3.338 20 0 FGADHM COc1cc(CCC(=O)Nc2cccc(C(C)=O)c2[O-])cc(OC)c1OC ZINC000560550295 505123610 /nfs/dbraw/zinc/12/36/10/505123610.db2.gz JZRARYHRJWFAEC-UHFFFAOYSA-N -1 3 373.405 3.192 20 0 FGADHM O=C([N-]c1ncc(-c2cccnc2)s1)c1cnc(-c2ncccn2)s1 ZINC000557392462 505124200 /nfs/dbraw/zinc/12/42/00/505124200.db2.gz WMDZXWYFFCRNAM-UHFFFAOYSA-N -1 3 366.431 3.371 20 0 FGADHM COc1ccc(-n2ccc(C(=O)Nc3cccc(C(C)=O)c3[O-])n2)cc1 ZINC000560552475 505124541 /nfs/dbraw/zinc/12/45/41/505124541.db2.gz ORIACNIETOODFN-UHFFFAOYSA-N -1 3 351.362 3.041 20 0 FGADHM CCOC(=O)c1c(C)c2ccccc2nc1CN1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000566300335 505138498 /nfs/dbraw/zinc/13/84/98/505138498.db2.gz GZWMPMLOYMYNMA-UKRRQHHQSA-N -1 3 370.449 3.263 20 0 FGADHM Cc1cc(S(=O)(=O)[N-][C@H](C)c2cscn2)sc1Br ZINC000563436159 505140350 /nfs/dbraw/zinc/14/03/50/505140350.db2.gz GKZLGKGKZNHXIX-SSDOTTSWSA-N -1 3 367.315 3.315 20 0 FGADHM CCOC(=O)c1ccc(NC(=O)[C@@H](C)Cn2ncc3ccccc32)c([O-])c1 ZINC000560612657 505143580 /nfs/dbraw/zinc/14/35/80/505143580.db2.gz BJFBTEYNVHDFIS-ZDUSSCGKSA-N -1 3 367.405 3.193 20 0 FGADHM O=C(Cc1ccc([O-])cc1Cl)N[C@H](CCO)c1ccc(Cl)cc1 ZINC000557490800 505148511 /nfs/dbraw/zinc/14/85/11/505148511.db2.gz SIZZQYRVGYMWKQ-MRXNPFEDSA-N -1 3 354.233 3.481 20 0 FGADHM COc1ccc(CN2C[C@]3(CCCO3)[C@H]2C2CC2)c(Br)c1[O-] ZINC000560628394 505149233 /nfs/dbraw/zinc/14/92/33/505149233.db2.gz CIWLDNITIHQMFT-IAGOWNOFSA-N -1 3 368.271 3.307 20 0 FGADHM COc1ccc(CN2C[C@@]3(CCCO3)[C@H]2C2CC2)c(Br)c1[O-] ZINC000560628398 505149364 /nfs/dbraw/zinc/14/93/64/505149364.db2.gz CIWLDNITIHQMFT-SJORKVTESA-N -1 3 368.271 3.307 20 0 FGADHM CCc1c(NC(=O)c2c[n-]c3ccc(C)cc3c2=O)n[nH]c1-c1ccncc1 ZINC000557504592 505152065 /nfs/dbraw/zinc/15/20/65/505152065.db2.gz XYQIVSQUCCIGOW-UHFFFAOYSA-N -1 3 373.416 3.436 20 0 FGADHM CS(=O)(=O)[N-]c1ccc(-c2noc(C3(Cc4ccccc4)CC3)n2)cc1 ZINC000557541208 505161589 /nfs/dbraw/zinc/16/15/89/505161589.db2.gz NWRFYFMYYYJLTQ-UHFFFAOYSA-N -1 3 369.446 3.382 20 0 FGADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@H](C2CC2)C2CCC2)cc1Cl ZINC000563527046 505166664 /nfs/dbraw/zinc/16/66/64/505166664.db2.gz PCIOQIHTUWQFGD-INIZCTEOSA-N -1 3 374.865 3.295 20 0 FGADHM Cc1ccc(O[C@@H](C)C[N-]S(=O)(=O)Cc2cc(C(C)(C)C)on2)cc1 ZINC000551160922 505168196 /nfs/dbraw/zinc/16/81/96/505168196.db2.gz BJKDPYQOMZEUFY-AWEZNQCLSA-N -1 3 366.483 3.167 20 0 FGADHM Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)N=c2cc3ccccn3[n-]2)cc1 ZINC000554412100 505168423 /nfs/dbraw/zinc/16/84/23/505168423.db2.gz PSKMQMFMWKYADD-HKUYNNGSSA-N -1 3 350.422 3.106 20 0 FGADHM CCOc1ccc(C[N-]S(=O)(=O)c2cc(Cl)ccc2F)cc1OC ZINC000551168491 505169523 /nfs/dbraw/zinc/16/95/23/505169523.db2.gz ZONVJRMKFICSEQ-UHFFFAOYSA-N -1 3 373.833 3.365 20 0 FGADHM Cn1cc(Br)c(=NC(=O)[C@@H](OC(C)(C)C)c2ccccc2)[n-]1 ZINC000563538424 505170179 /nfs/dbraw/zinc/17/01/79/505170179.db2.gz TZDBTXKTDZOGQM-ZDUSSCGKSA-N -1 3 366.259 3.099 20 0 FGADHM O=C(CNC(=O)c1ccc([O-])cc1)N[C@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000560761086 505180991 /nfs/dbraw/zinc/18/09/91/505180991.db2.gz LOCLCKPMQYTGEH-RDJZCZTQSA-N -1 3 372.852 3.228 20 0 FGADHM O=C(Nc1cccc([O-])c1F)c1cnc(OC2CCOCC2)c(Cl)c1 ZINC000563596719 505187533 /nfs/dbraw/zinc/18/75/33/505187533.db2.gz AXHATRRNHOFTPS-UHFFFAOYSA-N -1 3 366.776 3.390 20 0 FGADHM CN(C(=O)c1cc(CCc2ccccc2)ccc1[O-])C1(C(N)=O)CCCC1 ZINC000554503687 505190981 /nfs/dbraw/zinc/19/09/81/505190981.db2.gz CSXQEMMXMBWLHM-UHFFFAOYSA-N -1 3 366.461 3.048 20 0 FGADHM O=C(Nc1c([O-])cccc1Cl)c1cnn2cc(Br)cnc12 ZINC000560822205 505193925 /nfs/dbraw/zinc/19/39/25/505193925.db2.gz DTBSLYVOKXXSAT-UHFFFAOYSA-N -1 3 367.590 3.103 20 0 FGADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)N1CCC=C(c2ccccc2)C1 ZINC000560824380 505194425 /nfs/dbraw/zinc/19/44/25/505194425.db2.gz WEZHHMPVMLNIMU-UHFFFAOYSA-N -1 3 374.444 3.481 20 0 FGADHM CCc1nc2cc(CNC(=O)N=c3cc4ccccn4[n-]3)ccc2n1C1CC1 ZINC000554534249 505200003 /nfs/dbraw/zinc/20/00/03/505200003.db2.gz LYXCDOISRMMPRB-UHFFFAOYSA-N -1 3 374.448 3.325 20 0 FGADHM CC(C)c1cc(C(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC2)c([O-])c(C(C)C)c1 ZINC000551358017 505208563 /nfs/dbraw/zinc/20/85/63/505208563.db2.gz QONMQKSZEHPCDQ-IEBWSBKVSA-N -1 3 358.482 3.426 20 0 FGADHM CCN(CC)[C@H](C[N-]S(=O)(=O)c1cccc(C)c1F)c1ccco1 ZINC000554621241 505225682 /nfs/dbraw/zinc/22/56/82/505225682.db2.gz ZPWCFEQZZXNLAL-CQSZACIVSA-N -1 3 354.447 3.089 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(-n3ccc(C)n3)cc2)cc1F ZINC000551456402 505230625 /nfs/dbraw/zinc/23/06/25/505230625.db2.gz HJMJUCYTTLMLJA-UHFFFAOYSA-N -1 3 361.398 3.129 20 0 FGADHM O=S(=O)([N-]Cc1ccccc1F)c1c(F)cccc1OC(F)(F)F ZINC000557790318 505231849 /nfs/dbraw/zinc/23/18/49/505231849.db2.gz FCJUVCUIZKXASZ-UHFFFAOYSA-N -1 3 367.295 3.342 20 0 FGADHM COC(=O)C(C)(C)CS(=O)(=O)[N-]c1ccc(Cl)cc1-n1cccc1 ZINC000554687526 505240509 /nfs/dbraw/zinc/24/05/09/505240509.db2.gz NAEGNBWPPXQQEK-UHFFFAOYSA-N -1 3 370.858 3.072 20 0 FGADHM O=S(=O)([N-][C@@H]1CC[C@@H](F)C1)c1cccc(Br)c1Cl ZINC000557848912 505245207 /nfs/dbraw/zinc/24/52/07/505245207.db2.gz MEQVMTINLFAAAE-HTQZYQBOSA-N -1 3 356.644 3.271 20 0 FGADHM CCCOc1ccc(C(=O)N=c2[nH][n-]cc2Br)cc1OCC ZINC000566694438 505246464 /nfs/dbraw/zinc/24/64/64/505246464.db2.gz COUWNNMFHDUOLA-UHFFFAOYSA-N -1 3 368.231 3.034 20 0 FGADHM C[C@H]1Oc2cc(F)ccc2[C@H]1[N-]S(=O)(=O)c1cnc2ccsc2c1 ZINC000557862403 505249344 /nfs/dbraw/zinc/24/93/44/505249344.db2.gz FNEMWSMZBVMVQX-ABKXIKBNSA-N -1 3 364.423 3.236 20 0 FGADHM COc1cccc2c1[C@@H](C(=O)N=c1cc(-c3cc(F)cc(F)c3)[n-][nH]1)CC2 ZINC000551583896 505260951 /nfs/dbraw/zinc/26/09/51/505260951.db2.gz DWZLXDLFWKBOMI-HNNXBMFYSA-N -1 3 369.371 3.454 20 0 FGADHM Cc1nn(-c2ccccc2C)c(C)c1CN(C)C(=O)Cc1cncc([O-])c1 ZINC000566806176 505278133 /nfs/dbraw/zinc/27/81/33/505278133.db2.gz PJPPZMNCDJDSEM-UHFFFAOYSA-N -1 3 364.449 3.099 20 0 FGADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000561252545 505293850 /nfs/dbraw/zinc/29/38/50/505293850.db2.gz BROZIHJANKPAAR-INIZCTEOSA-N -1 3 363.351 3.160 20 0 FGADHM CCCOc1ncccc1C[N-]S(=O)(=O)c1ccc(OC)cc1Cl ZINC000564078309 505320170 /nfs/dbraw/zinc/32/01/70/505320170.db2.gz ZSAKPASHNJCKGK-UHFFFAOYSA-N -1 3 370.858 3.011 20 0 FGADHM CO[C@@H](CS(=O)(=O)[N-]c1c(C)ccc(F)c1Br)C1CC1 ZINC000564084160 505320507 /nfs/dbraw/zinc/32/05/07/505320507.db2.gz IJDZMJQUQFGULB-NSHDSACASA-N -1 3 366.252 3.063 20 0 FGADHM CC(C)OCc1cc(NC(=O)c2coc(C3CCOCC3)n2)ccc1[O-] ZINC000567005454 505336628 /nfs/dbraw/zinc/33/66/28/505336628.db2.gz DIVSHDPCXZPPGU-UHFFFAOYSA-N -1 3 360.410 3.452 20 0 FGADHM 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/nfs/dbraw/zinc/38/97/20/505389720.db2.gz QXJVIQJHNQNOCE-QGZVFWFLSA-N -1 3 374.824 3.454 20 0 FGADHM CC(=O)c1cccc(NC(=O)c2cccc(NC(=O)NC(C)C)c2)c1[O-] ZINC000552069320 505390084 /nfs/dbraw/zinc/39/00/84/505390084.db2.gz NVSZPFOUVIAVOW-UHFFFAOYSA-N -1 3 355.394 3.377 20 0 FGADHM CC(C)c1cc(C(=O)N2CCNC[C@@H]2c2nccn2C)c([O-])c(C(C)C)c1 ZINC000567271883 505414298 /nfs/dbraw/zinc/41/42/98/505414298.db2.gz CSNRZNAPZPDXOB-GOSISDBHSA-N -1 3 370.497 3.159 20 0 FGADHM COc1cc2c(cc1F)[n-]cc(C(=O)NC(C)(C)c1ccccc1F)c2=O ZINC000561708663 505414768 /nfs/dbraw/zinc/41/47/68/505414768.db2.gz XAZNMRPUFVNVIE-UHFFFAOYSA-N -1 3 372.371 3.480 20 0 FGADHM CSc1nnc(NC(=O)[C@@H]2C[C@H]2c2ccc(OC(F)(F)F)cc2)[n-]1 ZINC000555382938 505422284 /nfs/dbraw/zinc/42/22/84/505422284.db2.gz VJNJABMVGZVHRV-VHSXEESVSA-N -1 3 358.345 3.167 20 0 FGADHM CSc1n[n-]c(NC(=O)[C@@H]2C[C@H]2c2ccc(OC(F)(F)F)cc2)n1 ZINC000555382938 505422288 /nfs/dbraw/zinc/42/22/88/505422288.db2.gz VJNJABMVGZVHRV-VHSXEESVSA-N -1 3 358.345 3.167 20 0 FGADHM CSc1nc(NC(=O)[C@@H]2C[C@H]2c2ccc(OC(F)(F)F)cc2)n[n-]1 ZINC000555382938 505422294 /nfs/dbraw/zinc/42/22/94/505422294.db2.gz VJNJABMVGZVHRV-VHSXEESVSA-N -1 3 358.345 3.167 20 0 FGADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N[C@H]3CCC3(C)C)cs2)c1 ZINC000561770991 505433442 /nfs/dbraw/zinc/43/34/42/505433442.db2.gz KLEMSZIWQMOOEA-HNNXBMFYSA-N -1 3 373.478 3.257 20 0 FGADHM CCSc1cccc(F)c1[N-]S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000558598398 505434794 /nfs/dbraw/zinc/43/47/94/505434794.db2.gz JFZFSVGWAAGOQQ-UHFFFAOYSA-N -1 3 367.427 3.320 20 0 FGADHM COc1ccc([C@H]2C[C@H]([N-]S(=O)(=O)c3ccccc3F)C2)cc1F ZINC000558613457 505440396 /nfs/dbraw/zinc/44/03/96/505440396.db2.gz IYEBNRUIJRFRDD-JOCQHMNTSA-N -1 3 353.390 3.198 20 0 FGADHM Cc1ccc(Br)cc1CNC(=O)c1c[n-]nc1-c1ccccn1 ZINC000564523905 505441237 /nfs/dbraw/zinc/44/12/37/505441237.db2.gz DOKXBASITBJSJT-UHFFFAOYSA-N -1 3 371.238 3.473 20 0 FGADHM CC[C@@H](C)[C@@H](NC(=O)c1cc(F)cc2nn[n-]c21)c1nc2ccccc2[nH]1 ZINC000558624667 505444085 /nfs/dbraw/zinc/44/40/85/505444085.db2.gz KLNIFRRUZCLALU-QLJPJBMISA-N -1 3 366.400 3.491 20 0 FGADHM CC[C@@H](C)[C@@H](NC(=O)c1cc(F)cc2[n-]nnc21)c1nc2ccccc2[nH]1 ZINC000558624667 505444091 /nfs/dbraw/zinc/44/40/91/505444091.db2.gz KLNIFRRUZCLALU-QLJPJBMISA-N -1 3 366.400 3.491 20 0 FGADHM CC[C@@H](C)[C@@H](NC(=O)c1cc(F)cc2n[n-]nc21)c1nc2ccccc2[nH]1 ZINC000558624667 505444093 /nfs/dbraw/zinc/44/40/93/505444093.db2.gz KLNIFRRUZCLALU-QLJPJBMISA-N -1 3 366.400 3.491 20 0 FGADHM O=C(NC1(Cc2ccccc2)CCOCC1)c1cc(=O)c2ccccc2[n-]1 ZINC000564538940 505446401 /nfs/dbraw/zinc/44/64/01/505446401.db2.gz OZZVUQMLYABGQK-UHFFFAOYSA-N -1 3 362.429 3.050 20 0 FGADHM CC(C)c1ccoc1-c1nc(-c2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)no1 ZINC000561852627 505450691 /nfs/dbraw/zinc/45/06/91/505450691.db2.gz BTYYKKSCSJQOCR-IBGZPJMESA-N -1 3 366.377 3.175 20 0 FGADHM CCCN(Cc1ccccc1)[C@@H](C)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000564577016 505458959 /nfs/dbraw/zinc/45/89/59/505458959.db2.gz NIFHNQKYNXTMBU-INIZCTEOSA-N -1 3 354.450 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/nfs/dbraw/zinc/49/43/73/505494373.db2.gz NNKAYTAOPOKWCU-UHFFFAOYSA-N -1 3 351.811 3.106 20 0 FGADHM COc1ccc(C(=O)N[C@@H]2c3ccccc3CC23CCOCC3)c([O-])c1 ZINC000564698629 505495397 /nfs/dbraw/zinc/49/53/97/505495397.db2.gz OSHOALRMDKVIML-LJQANCHMSA-N -1 3 353.418 3.225 20 0 FGADHM CC(C)c1nc(S(=O)(=O)[N-][C@H](C)c2ccc3ncsc3c2)cn1C ZINC000564715462 505500647 /nfs/dbraw/zinc/50/06/47/505500647.db2.gz KRNJAWYKDOGJIH-LLVKDONJSA-N -1 3 364.496 3.193 20 0 FGADHM CCN(C(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-])[C@@H](C)C(C)C ZINC000567625082 505517942 /nfs/dbraw/zinc/51/79/42/505517942.db2.gz DFMXZBNYMCNZRX-LBPRGKRZSA-N -1 3 359.426 3.448 20 0 FGADHM O=C(NCc1sccc1Br)c1c[n-]nc1-c1ccccn1 ZINC000567654010 505526322 /nfs/dbraw/zinc/52/63/22/505526322.db2.gz QXVBDGLETPBQJN-UHFFFAOYSA-N -1 3 363.240 3.226 20 0 FGADHM Cc1[nH]c(=O)c(C(=O)Nc2c([O-])cccc2Cl)cc1Br ZINC000552783251 505553648 /nfs/dbraw/zinc/55/36/48/505553648.db2.gz KCBDYXNQGNAINS-UHFFFAOYSA-N -1 3 357.591 3.469 20 0 FGADHM CCN=c1[n-]c(C(=O)Nc2cccc3c2CN(CC(F)(F)F)C3)cs1 ZINC000559027322 505553948 /nfs/dbraw/zinc/55/39/48/505553948.db2.gz ATDJFBYEXDPPNE-UHFFFAOYSA-N -1 3 370.400 3.127 20 0 FGADHM C[C@@H]1CCN(CC(=O)N[C@H](c2ccccc2)C2CCCCC2)C[C@H]1C(=O)[O-] ZINC000564968585 505564337 /nfs/dbraw/zinc/56/43/37/505564337.db2.gz YRLOOYBGQOJWBN-OZOXKJRCSA-N -1 3 372.509 3.467 20 0 FGADHM CO[C@@H](CS(=O)(=O)[N-]c1ccc2c(ccn2CC(C)C)c1)C1CC1 ZINC000564969941 505564600 /nfs/dbraw/zinc/56/46/00/505564600.db2.gz GRNMXZJUXOXKNI-SFHVURJKSA-N -1 3 350.484 3.464 20 0 FGADHM Cc1cc(C)cc(NC(=O)[C@@H](C)N2C[C@H](C(=O)[O-])[C@@H](c3ccccc3)C2)c1 ZINC000567856610 505568736 /nfs/dbraw/zinc/56/87/36/505568736.db2.gz NRFUHCLHHMALNP-AHRSYUTCSA-N -1 3 366.461 3.431 20 0 FGADHM CC(C)(C)OC(=O)C[C@H]1CCCCN1Cc1nc2ccsc2c(=O)[n-]1 ZINC000593093155 506388579 /nfs/dbraw/zinc/38/85/79/506388579.db2.gz CEIATDDABNKHDW-GFCCVEGCSA-N -1 3 363.483 3.483 20 0 FGADHM CCS[C@@H]1CCC[C@H]1NC(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000603040849 506394166 /nfs/dbraw/zinc/39/41/66/506394166.db2.gz CENODRFFNBCIAF-NXEZZACHSA-N -1 3 370.828 3.316 20 0 FGADHM O=C(CS(=O)(=O)c1ccc(Cl)cc1)Nc1c([O-])cccc1Cl ZINC000582755483 506400873 /nfs/dbraw/zinc/40/08/73/506400873.db2.gz XKQLKCPUKKZCOL-UHFFFAOYSA-N -1 3 360.218 3.111 20 0 FGADHM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc([C@@H]4CCOC4)cc3)ccc2O1 ZINC000582826626 506439812 /nfs/dbraw/zinc/43/98/12/506439812.db2.gz JJQATSQFPNUZDI-DZGCQCFKSA-N -1 3 359.447 3.315 20 0 FGADHM O=C(c1n[n-]c(-c2ccccc2)c1Br)N1CCCn2nccc21 ZINC000589123677 506450062 /nfs/dbraw/zinc/45/00/62/506450062.db2.gz RJCXGVLSBDGLOU-UHFFFAOYSA-N -1 3 372.226 3.086 20 0 FGADHM O=C(c1[n-]nc(-c2ccccc2)c1Br)N1CCCn2nccc21 ZINC000589123677 506450070 /nfs/dbraw/zinc/45/00/70/506450070.db2.gz RJCXGVLSBDGLOU-UHFFFAOYSA-N -1 3 372.226 3.086 20 0 FGADHM CO[C@@H](CS(=O)(=O)[N-]c1cccc(Cl)c1Br)C1CC1 ZINC000582905390 506481060 /nfs/dbraw/zinc/48/10/60/506481060.db2.gz NNDPDWGUGGMIHG-NSHDSACASA-N -1 3 368.680 3.269 20 0 FGADHM C[C@@H](NC(=O)[C@@H](C)N1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1)c1ccccc1 ZINC000582904945 506481758 /nfs/dbraw/zinc/48/17/58/506481758.db2.gz VAGITJHPRAETRQ-SMOSDQRPSA-N -1 3 366.461 3.053 20 0 FGADHM CCCCc1n[n-]c(=NC(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)s1 ZINC000608264094 506483073 /nfs/dbraw/zinc/48/30/73/506483073.db2.gz QOJVVIKQXCIPTK-INIZCTEOSA-N -1 3 373.526 3.041 20 0 FGADHM C[C@@H](NC(=O)[C@H](C)SCCc1nnn[n-]1)c1ccc(Cl)cc1Cl ZINC000603337057 506489335 /nfs/dbraw/zinc/48/93/35/506489335.db2.gz JLXDYHPGBDIELF-BDAKNGLRSA-N -1 3 374.297 3.048 20 0 FGADHM C[C@@H](NC(=O)[C@H](C)SCCc1nn[n-]n1)c1ccc(Cl)cc1Cl ZINC000603337057 506489341 /nfs/dbraw/zinc/48/93/41/506489341.db2.gz JLXDYHPGBDIELF-BDAKNGLRSA-N -1 3 374.297 3.048 20 0 FGADHM O=C(N=c1cc(-c2cccc(Cl)c2)[n-][nH]1)[C@H]1Cc2cc(F)ccc2O1 ZINC000608359462 506525128 /nfs/dbraw/zinc/52/51/28/506525128.db2.gz FFLIGXABGDJACT-MRXNPFEDSA-N -1 3 357.772 3.233 20 0 FGADHM O=c1cc(CS(=O)(=O)[C@@H]2CCc3c2cccc3Cl)nc(C2CC2)[n-]1 ZINC000583071593 506575501 /nfs/dbraw/zinc/57/55/01/506575501.db2.gz UCGAXSYVTLZWTB-OAHLLOKOSA-N -1 3 364.854 3.315 20 0 FGADHM CC(C)(C)c1ccc(OC[C@@H](O)COc2ccc3c([O-])coc3c2)cc1 ZINC000583097738 506588077 /nfs/dbraw/zinc/58/80/77/506588077.db2.gz WZBLJRVSQUQHLA-OAHLLOKOSA-N -1 3 356.418 3.378 20 0 FGADHM CCN=c1[n-]c(C(=O)N(C)[C@@H]2CCCc3nc(CC)sc32)cs1 ZINC000612473277 506591912 /nfs/dbraw/zinc/59/19/12/506591912.db2.gz NTDLYLDATQMWBO-GFCCVEGCSA-N -1 3 350.513 3.165 20 0 FGADHM COC[C@]1(C(=O)[O-])CCN([C@@H](C)c2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000583146590 506615271 /nfs/dbraw/zinc/61/52/71/506615271.db2.gz BDBFVRWEDRPZRF-SGTLLEGYSA-N -1 3 364.829 3.479 20 0 FGADHM C[C@H]1C[C@H](CC(=O)NCCCNC(=O)c2cccc([O-])c2)CC(C)(C)C1 ZINC000589694291 506631816 /nfs/dbraw/zinc/63/18/16/506631816.db2.gz IGLCTPPYLJAJJR-JKSUJKDBSA-N -1 3 360.498 3.481 20 0 FGADHM COc1cccc(S(=O)(=O)[N-]c2cc(Br)ccc2F)c1 ZINC000599926190 506716820 /nfs/dbraw/zinc/71/68/20/506716820.db2.gz QSVCHLSKKKYNGG-UHFFFAOYSA-N -1 3 360.204 3.398 20 0 FGADHM Cc1nn(C)cc1[C@@H](C)NC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000590079313 506727262 /nfs/dbraw/zinc/72/72/62/506727262.db2.gz PFNNGMZKGVFNOP-LLVKDONJSA-N -1 3 366.425 3.082 20 0 FGADHM COC(=O)c1cccc([N-]C(=O)c2ocnc2C(F)F)c1OC(C)C ZINC000599961458 506728065 /nfs/dbraw/zinc/72/80/65/506728065.db2.gz SDTLXKQPEWCEBO-UHFFFAOYSA-N -1 3 354.309 3.438 20 0 FGADHM CC(C)(C)OC(=O)c1n[nH]cc1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000600048248 506755476 /nfs/dbraw/zinc/75/54/76/506755476.db2.gz CQZQWOXPNYYGJI-UHFFFAOYSA-N -1 3 363.389 3.171 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCCN(c3cccc(F)c3)C2)c(F)c1 ZINC000583403598 506759640 /nfs/dbraw/zinc/75/96/40/506759640.db2.gz IIIHOGAKRXRYEX-HNNXBMFYSA-N -1 3 366.433 3.221 20 0 FGADHM O=C([O-])c1ccc2c(c1)CN(CCCc1nc(-c3cccs3)no1)CC2 ZINC000583421340 506768915 /nfs/dbraw/zinc/76/89/15/506768915.db2.gz MXHMDLYYLSCVSS-UHFFFAOYSA-N -1 3 369.446 3.487 20 0 FGADHM C[C@H](CCC1CCCCC1)NC(=O)CC[N-]S(=O)(=O)c1cccs1 ZINC000604347980 506797414 /nfs/dbraw/zinc/79/74/14/506797414.db2.gz MCBCOSWSVVUWOF-CQSZACIVSA-N -1 3 372.556 3.282 20 0 FGADHM CSCc1ccc(C(=O)N[C@@H](C)[C@H](C)C(=O)Nc2ncccc2[O-])cc1 ZINC000590367714 506804972 /nfs/dbraw/zinc/80/49/72/506804972.db2.gz KPWGJVKTIPZWCD-STQMWFEESA-N -1 3 373.478 3.043 20 0 FGADHM O=S(=O)([N-][C@H]1CCCN(c2ccccc2)C1)c1ccc(F)cc1Cl ZINC000604406846 506822118 /nfs/dbraw/zinc/82/21/18/506822118.db2.gz WBFNYLSZPFQKSQ-AWEZNQCLSA-N -1 3 368.861 3.426 20 0 FGADHM CCOC(=O)[C@H](CC(=O)Nc1cc(Cc2ccccc2)ccc1[O-])C(C)=O ZINC000590446121 506826547 /nfs/dbraw/zinc/82/65/47/506826547.db2.gz YYULJIXXCFPDNE-QGZVFWFLSA-N -1 3 369.417 3.080 20 0 FGADHM COC(=O)c1c(C)c(C)sc1[N-]C(=O)c1scc2c1OCCO2 ZINC000593944029 506840018 /nfs/dbraw/zinc/84/00/18/506840018.db2.gz REJRIVPPRWGFJI-UHFFFAOYSA-N -1 3 353.421 3.237 20 0 FGADHM CCCS(=O)(=O)[N-]c1ccc(C(=O)Nc2cc(CC(C)C)[nH]n2)cc1 ZINC000590514355 506843797 /nfs/dbraw/zinc/84/37/97/506843797.db2.gz XLWYHPQSLSIHDY-UHFFFAOYSA-N -1 3 364.471 3.012 20 0 FGADHM COc1cc2c(cc1CNC[C@H](Cc1ccccc1C)C(=O)[O-])O[C@H](C)C2 ZINC000583554358 506845765 /nfs/dbraw/zinc/84/57/65/506845765.db2.gz NGOYMVVSNOSZHE-BEFAXECRSA-N -1 3 369.461 3.360 20 0 FGADHM COc1cc(F)c(CN[C@H](CSCC=C(C)C)C(=O)[O-])cc1OC ZINC000583567555 506853386 /nfs/dbraw/zinc/85/33/86/506853386.db2.gz CQIMNTHYFUQHTC-CQSZACIVSA-N -1 3 357.447 3.085 20 0 FGADHM C[S@](=O)Cc1cccc(C(=O)N=c2cc(-c3cccc(Cl)c3)[n-][nH]2)c1 ZINC000604522020 506860720 /nfs/dbraw/zinc/86/07/20/506860720.db2.gz FUTBIASMJUSYQI-VWLOTQADSA-N -1 3 373.865 3.283 20 0 FGADHM Cc1cc(CN2CCN(Cc3cc([O-])cc(C(F)(F)F)c3)CC2)on1 ZINC000583665621 506901593 /nfs/dbraw/zinc/90/15/93/506901593.db2.gz HEKFTZZOIDJAAH-UHFFFAOYSA-N -1 3 355.360 3.025 20 0 FGADHM C[C@H](NC(=O)c1cccc2nn[n-]c21)c1ccc(Br)cc1F ZINC000583848387 507006059 /nfs/dbraw/zinc/00/60/59/507006059.db2.gz KYDKNGAPBUHXHF-QMMMGPOBSA-N -1 3 363.190 3.351 20 0 FGADHM C[C@H](NC(=O)c1cccc2[n-]nnc21)c1ccc(Br)cc1F ZINC000583848387 507006067 /nfs/dbraw/zinc/00/60/67/507006067.db2.gz KYDKNGAPBUHXHF-QMMMGPOBSA-N -1 3 363.190 3.351 20 0 FGADHM C[C@H](NC(=O)c1cccc2n[n-]nc21)c1ccc(Br)cc1F ZINC000583848387 507006072 /nfs/dbraw/zinc/00/60/72/507006072.db2.gz KYDKNGAPBUHXHF-QMMMGPOBSA-N -1 3 363.190 3.351 20 0 FGADHM CC(=O)c1ccc([O-])c(NC(=O)[C@@H](CN2CCCC2)c2ccccc2)c1 ZINC000613284044 507009507 /nfs/dbraw/zinc/00/95/07/507009507.db2.gz IKZGQHOQYRHLBA-SFHVURJKSA-N -1 3 352.434 3.413 20 0 FGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]CC2Cc3ccccc3C2)c1 ZINC000605004910 507031441 /nfs/dbraw/zinc/03/14/41/507031441.db2.gz PLGCWWWIIHGBDW-UHFFFAOYSA-N -1 3 351.855 3.042 20 0 FGADHM Cc1cc(F)ccc1N1CCC[C@H]([N-]S(=O)(=O)c2ccccc2F)C1 ZINC000605005726 507032723 /nfs/dbraw/zinc/03/27/23/507032723.db2.gz MTYRFVGMEOHXIA-HNNXBMFYSA-N -1 3 366.433 3.221 20 0 FGADHM C[C@H](Oc1ccc(Cl)c2ccccc12)C(=O)NCCCc1cc(=O)[nH][n-]1 ZINC000597664472 507053368 /nfs/dbraw/zinc/05/33/68/507053368.db2.gz JJFBWJLRDVEQGS-LBPRGKRZSA-N -1 3 373.840 3.033 20 0 FGADHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](C(C)C)C2)s1 ZINC000590948867 507055313 /nfs/dbraw/zinc/05/53/13/507055313.db2.gz CTEQBMHIFZQWEU-BPLDGKMQSA-N -1 3 372.556 3.438 20 0 FGADHM CC(C)(C)OC(=O)[C@@]1(C(=O)NCc2ccc([O-])c3ncccc23)CC1(C)C ZINC000597732729 507079955 /nfs/dbraw/zinc/07/99/55/507079955.db2.gz WUXWDIDYYRUGJL-NRFANRHFSA-N -1 3 370.449 3.315 20 0 FGADHM COC(=O)C(C)(C)[C@@H](NC(=O)c1ccc(C(C)=O)c([O-])c1)c1ccccc1 ZINC000591069231 507100170 /nfs/dbraw/zinc/10/01/70/507100170.db2.gz ZCRHBPALLGFEPN-SFHVURJKSA-N -1 3 369.417 3.265 20 0 FGADHM CCOC(=O)c1[n-]c(C)nc1NC(=O)[C@H](C)Oc1cc(C)ccc1Cl ZINC000610109188 507103165 /nfs/dbraw/zinc/10/31/65/507103165.db2.gz DJZCAOWCLQLTGK-JTQLQIEISA-N -1 3 365.817 3.263 20 0 FGADHM CCOC(=O)c1nc(C)[n-]c1NC(=O)[C@H](C)Oc1cc(C)ccc1Cl ZINC000610109188 507103170 /nfs/dbraw/zinc/10/31/70/507103170.db2.gz DJZCAOWCLQLTGK-JTQLQIEISA-N -1 3 365.817 3.263 20 0 FGADHM CCN1CCCC[C@@H]1C[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000600773734 507113665 /nfs/dbraw/zinc/11/36/65/507113665.db2.gz LXDTZKHCECFORA-LLVKDONJSA-N -1 3 351.299 3.146 20 0 FGADHM C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N-]S(=O)(=O)c1cncc(F)c1 ZINC000600786385 507120878 /nfs/dbraw/zinc/12/08/78/507120878.db2.gz TWYAHGCYRQYZGJ-JTQLQIEISA-N -1 3 362.348 3.149 20 0 FGADHM COC[C@@H]([N-]S(=O)(=O)c1cccs1)c1cccc(C(F)(F)F)c1 ZINC000605319555 507143196 /nfs/dbraw/zinc/14/31/96/507143196.db2.gz BITCYARFIUOUAQ-GFCCVEGCSA-N -1 3 365.398 3.433 20 0 FGADHM CCN(CC)[C@@H](CNC(=O)CCC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000584113396 507160291 /nfs/dbraw/zinc/16/02/91/507160291.db2.gz PRLXHSCZFSKOPA-AWEZNQCLSA-N -1 3 360.376 3.069 20 0 FGADHM CCOC(=O)c1ccc(NC(=O)[C@@H]2CCN(c3ccccc3F)C2)c([O-])c1 ZINC000584143775 507174499 /nfs/dbraw/zinc/17/44/99/507174499.db2.gz PLRWPGYPMFVJKX-CQSZACIVSA-N -1 3 372.396 3.173 20 0 FGADHM COC(=O)c1ccc(Cl)c(CN[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c1 ZINC000594540452 507177534 /nfs/dbraw/zinc/17/75/34/507177534.db2.gz ZTAPKTMTBGIUJK-DDTOSNHZSA-N -1 3 353.846 3.352 20 0 FGADHM CCCSC[C@H](NCc1ccc(Br)c(F)c1F)C(=O)[O-] ZINC000600941802 507201654 /nfs/dbraw/zinc/20/16/54/507201654.db2.gz KCLKCJOTMWCZON-JTQLQIEISA-N -1 3 368.243 3.413 20 0 FGADHM CC(C)=CCSC[C@@H](NCc1cc(C)c(Br)cn1)C(=O)[O-] ZINC000600941598 507200863 /nfs/dbraw/zinc/20/08/63/507200863.db2.gz FBWCCSONMGHDPC-CQSZACIVSA-N -1 3 373.316 3.395 20 0 FGADHM CCc1cccc(CC)c1S(=O)(=O)[N-]c1ccc2c(c1)CCC(=O)N2 ZINC000605494285 507216933 /nfs/dbraw/zinc/21/69/33/507216933.db2.gz LTCWNYHOTBXNJQ-UHFFFAOYSA-N -1 3 358.463 3.497 20 0 FGADHM CCOC(=O)c1[n-]c(C)nc1NC(=O)[C@H]1C[C@@]12CCCc1ccccc12 ZINC000610388297 507222654 /nfs/dbraw/zinc/22/26/54/507222654.db2.gz YXMOSPRZTFRPNX-FOIQADDNSA-N -1 3 353.422 3.128 20 0 FGADHM CCOC(=O)c1nc(C)[n-]c1NC(=O)[C@H]1C[C@@]12CCCc1ccccc12 ZINC000610388297 507222659 /nfs/dbraw/zinc/22/26/59/507222659.db2.gz YXMOSPRZTFRPNX-FOIQADDNSA-N -1 3 353.422 3.128 20 0 FGADHM COc1ccc(COCC(=O)Nc2ccc(Br)cc2[O-])cc1 ZINC000613706083 507222974 /nfs/dbraw/zinc/22/29/74/507222974.db2.gz HFKJORAFGXSERL-UHFFFAOYSA-N -1 3 366.211 3.319 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-][C@@H](c2ccc(F)cc2)[C@H]2CCCO2)c(F)c1 ZINC000591388449 507230428 /nfs/dbraw/zinc/23/04/28/507230428.db2.gz MSNGKLUUPBCUSI-AEFFLSMTSA-N -1 3 367.417 3.472 20 0 FGADHM CSc1ccc([O-])c(C(=O)NC[C@]2(O)CCC[C@@H](C(F)(F)F)C2)c1 ZINC000613774044 507252902 /nfs/dbraw/zinc/25/29/02/507252902.db2.gz LDXPQWFVWAQAMU-BMIGLBTASA-N -1 3 363.401 3.328 20 0 FGADHM C[C@@H](CCC(C)(C)C)[N-]S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC000605592757 507253538 /nfs/dbraw/zinc/25/35/38/507253538.db2.gz AGNDKJLOWDQMPN-NSHDSACASA-N -1 3 356.463 3.204 20 0 FGADHM CCCCN(C(=O)c1ccc2c(c1)C(=O)[N-]C2=O)[C@@H](C)c1ccc(C)o1 ZINC000591448018 507254026 /nfs/dbraw/zinc/25/40/26/507254026.db2.gz GYRGNOGDQDGLKH-ZDUSSCGKSA-N -1 3 354.406 3.475 20 0 FGADHM CC1(C)Cc2ccc(-c3nc(-c4ccc5c(c4)NC(=O)C5)no3)c([O-])c2O1 ZINC000584285160 507257811 /nfs/dbraw/zinc/25/78/11/507257811.db2.gz OSGUIYFPGAPNIU-UHFFFAOYSA-N -1 3 363.373 3.317 20 0 FGADHM COC(=O)[C@@H]1CCN(C(=O)c2cc(SC)ccc2[O-])[C@@H]2CCCC[C@@H]12 ZINC000598186224 507302074 /nfs/dbraw/zinc/30/20/74/507302074.db2.gz WGZOQQNTNIVUAB-SQWLQELKSA-N -1 3 363.479 3.308 20 0 FGADHM Cc1csc(S(=O)(=O)[N-]C2(Cc3ccc(F)cc3)CCOCC2)c1 ZINC000584511048 507385168 /nfs/dbraw/zinc/38/51/68/507385168.db2.gz HEZXBWRKFWEAOR-UHFFFAOYSA-N -1 3 369.483 3.266 20 0 FGADHM CC(C)(C)CN(CC(=O)OC(C)(C)C)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000598384659 507400938 /nfs/dbraw/zinc/40/09/38/507400938.db2.gz COWIJZUYQWIKQL-UHFFFAOYSA-N -1 3 372.465 3.358 20 0 FGADHM CCCCCc1nnc([N-]C(=O)c2ccc(C(=O)OC)c(F)c2)s1 ZINC000610874310 507425026 /nfs/dbraw/zinc/42/50/26/507425026.db2.gz LGUMGJQULRERSD-UHFFFAOYSA-N -1 3 351.403 3.449 20 0 FGADHM COC(=O)c1ccc(C(=O)Nc2cc(Br)ccc2[O-])cc1F ZINC000610882811 507429504 /nfs/dbraw/zinc/42/95/04/507429504.db2.gz FTKTZKNUWWMBOF-UHFFFAOYSA-N -1 3 368.158 3.333 20 0 FGADHM C[C@@H]1CN(Cc2ccc(C(=O)NCc3ccc([O-])c(F)c3)cc2)C[C@@H](C)O1 ZINC000606537160 507438184 /nfs/dbraw/zinc/43/81/84/507438184.db2.gz SYFUBIAJADESPP-HUUCEWRRSA-N -1 3 372.440 3.071 20 0 FGADHM CCOC(=O)[C@@]1(C)CCC[C@H]1NC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000598472895 507440683 /nfs/dbraw/zinc/44/06/83/507440683.db2.gz LWOGWFIIURCSON-CJNGLKHVSA-N -1 3 359.344 3.263 20 0 FGADHM CCOc1cc2c(cc1[C@@H]1C[C@H]1NC(=O)c1cccc([O-])c1)O[C@H](C)C2 ZINC000584673824 507442636 /nfs/dbraw/zinc/44/26/36/507442636.db2.gz CNGIMDCMKWQTIM-PZPSRYQVSA-N -1 3 353.418 3.400 20 0 FGADHM COc1cc(NC(=O)c2ccc(C(C)=O)c([O-])c2)c(OC)c(C)c1OC ZINC000614307890 507450728 /nfs/dbraw/zinc/45/07/28/507450728.db2.gz AHRGBFJDRYSCEB-UHFFFAOYSA-N -1 3 359.378 3.181 20 0 FGADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000614318300 507455997 /nfs/dbraw/zinc/45/59/97/507455997.db2.gz NITQKRFHQVGTSX-KFKAGJAMSA-N -1 3 354.450 3.074 20 0 FGADHM COc1cc(CNC(=O)NCc2ccc([O-])c(F)c2)ccc1OC(F)F ZINC000606626411 507457111 /nfs/dbraw/zinc/45/71/11/507457111.db2.gz LRKMJBBCORPNLA-UHFFFAOYSA-N -1 3 370.327 3.141 20 0 FGADHM COC(=O)C12CCC(CC1)N2C(=O)CCc1ccc2ccccc2c1[O-] ZINC000601832888 507476115 /nfs/dbraw/zinc/47/61/15/507476115.db2.gz SVVIIFHHVHDTGK-UHFFFAOYSA-N -1 3 353.418 3.175 20 0 FGADHM O=S(=O)([N-][C@@H]([C@@H](CO)C1CC1)C1CC1)c1ccc(Cl)c(Cl)c1 ZINC000584820731 507523146 /nfs/dbraw/zinc/52/31/46/507523146.db2.gz VJXMJPAYLRXEQS-SWLSCSKDSA-N -1 3 364.294 3.069 20 0 FGADHM Cc1cc(C[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)n(C)n1 ZINC000584830478 507529173 /nfs/dbraw/zinc/52/91/73/507529173.db2.gz STXRHPTVEAWNNM-UHFFFAOYSA-N -1 3 368.673 3.167 20 0 FGADHM CC(C)(C)c1ccc(NC(=O)[C@@]2(c3ccccc3)CNC(=O)C2)c([O-])c1 ZINC000614488482 507538583 /nfs/dbraw/zinc/53/85/83/507538583.db2.gz MNBFSJKLQQMRBR-OAQYLSRUSA-N -1 3 352.434 3.086 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)c3c(C)nn(C(C)(C)C)c3C)[n-]c21 ZINC000611213985 507564726 /nfs/dbraw/zinc/56/47/26/507564726.db2.gz MIFJNGOWIVAQPD-UHFFFAOYSA-N -1 3 369.425 3.170 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3c(C)nn(C(C)(C)C)c3C)nc21 ZINC000611213985 507564731 /nfs/dbraw/zinc/56/47/31/507564731.db2.gz MIFJNGOWIVAQPD-UHFFFAOYSA-N -1 3 369.425 3.170 20 0 FGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]CCN2CCC(C)CC2)c1Cl ZINC000614605834 507583693 /nfs/dbraw/zinc/58/36/93/507583693.db2.gz NHFRXJKXOBXGCN-UHFFFAOYSA-N -1 3 365.326 3.312 20 0 FGADHM Cc1nccn1C[C@H](C)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000614618730 507588872 /nfs/dbraw/zinc/58/88/72/507588872.db2.gz MYOQGRILLDBDSJ-SNVBAGLBSA-N -1 3 362.282 3.113 20 0 FGADHM CC[C@H](NC(=O)c1ccc([N-]S(C)(=O)=O)cc1)c1cc(F)ccc1F ZINC000607133712 507625892 /nfs/dbraw/zinc/62/58/92/507625892.db2.gz XERKHFHJINZBSQ-INIZCTEOSA-N -1 3 368.405 3.217 20 0 FGADHM COc1cccc2c1OCC[C@H]2[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000585806558 507639450 /nfs/dbraw/zinc/63/94/50/507639450.db2.gz CGNXDVLQNMJDPJ-SNVBAGLBSA-N -1 3 359.856 3.212 20 0 FGADHM C[C@H](CC(=O)N[C@@H](C)[C@@H](C)C(=O)Nc1ncccc1[O-])c1ccc(F)cc1 ZINC000614822647 507665491 /nfs/dbraw/zinc/66/54/91/507665491.db2.gz MOJKDEOXDCOROZ-MCIONIFRSA-N -1 3 373.428 3.199 20 0 FGADHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)[C@@H]1CCCC[C@H]1C1CC1 ZINC000614820839 507666444 /nfs/dbraw/zinc/66/64/44/507666444.db2.gz BUOGJJJSAXMIAO-BFJAYTPKSA-N -1 3 359.470 3.083 20 0 FGADHM CCOc1ccccc1C(=O)N[C@H](C(=O)Nc1ccc(C)cc1[O-])C(C)C ZINC000586786645 507671386 /nfs/dbraw/zinc/67/13/86/507671386.db2.gz ZMKSOBKCYCPILM-IBGZPJMESA-N -1 3 370.449 3.492 20 0 FGADHM CC(=O)c1cccc(NC(=O)[C@H]2CCC(=O)N(c3cccc(F)c3)C2)c1[O-] ZINC000614861665 507676043 /nfs/dbraw/zinc/67/60/43/507676043.db2.gz RHVKXQLBVFDNMB-ZDUSSCGKSA-N -1 3 370.380 3.116 20 0 FGADHM CC(C)c1ccc(C2(C(=O)NCCCc3cc(=O)[nH][n-]3)CCCC2)cc1 ZINC000614922265 507694873 /nfs/dbraw/zinc/69/48/73/507694873.db2.gz YRMYTUOEEZTZNZ-UHFFFAOYSA-N -1 3 355.482 3.394 20 0 FGADHM CCSC1(CNC(=O)NCc2ccc([O-])c(Br)c2)CC1 ZINC000595806149 507695881 /nfs/dbraw/zinc/69/58/81/507695881.db2.gz CWYXKQVGSGZJFJ-UHFFFAOYSA-N -1 3 359.289 3.240 20 0 FGADHM COc1cccc(C(=O)N[C@H]2C[C@@H]2c2cccc(Br)c2)c1[O-] ZINC000588074616 507752948 /nfs/dbraw/zinc/75/29/48/507752948.db2.gz AUCWASMMUGQJHP-KGLIPLIRSA-N -1 3 362.223 3.449 20 0 FGADHM Cc1cc2c[nH]nc2c(C(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)c1 ZINC000588091681 507758737 /nfs/dbraw/zinc/75/87/37/507758737.db2.gz LJJYRLAPQLYCLA-UHFFFAOYSA-N -1 3 359.389 3.182 20 0 FGADHM Cc1cc2cn[nH]c2c(C(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)c1 ZINC000588091681 507758742 /nfs/dbraw/zinc/75/87/42/507758742.db2.gz LJJYRLAPQLYCLA-UHFFFAOYSA-N -1 3 359.389 3.182 20 0 FGADHM O=C(Nc1nnc(-c2ccc3ccccc3n2)[n-]1)[C@H]1CCCCCC(=O)C1 ZINC000615118496 507759391 /nfs/dbraw/zinc/75/93/91/507759391.db2.gz BABADUUVLNGIEA-AWEZNQCLSA-N -1 3 363.421 3.498 20 0 FGADHM O=C(Nc1nc(-c2ccc3ccccc3n2)n[n-]1)[C@H]1CCCCCC(=O)C1 ZINC000615118496 507759393 /nfs/dbraw/zinc/75/93/93/507759393.db2.gz BABADUUVLNGIEA-AWEZNQCLSA-N -1 3 363.421 3.498 20 0 FGADHM O=C(Nc1n[n-]c(-c2ccc3ccccc3n2)n1)[C@H]1CCCCCC(=O)C1 ZINC000615118496 507759394 /nfs/dbraw/zinc/75/93/94/507759394.db2.gz BABADUUVLNGIEA-AWEZNQCLSA-N -1 3 363.421 3.498 20 0 FGADHM COC(=O)c1cc(Cl)cc(NC(=O)c2cnn(-c3ccccc3)c2)c1[O-] ZINC000588096385 507759640 /nfs/dbraw/zinc/75/96/40/507759640.db2.gz AZOPAAHMJVXGBG-UHFFFAOYSA-N -1 3 371.780 3.270 20 0 FGADHM COC(=O)c1cc(Cl)cc(NC(=O)[C@H]2CCCN2C2CCCC2)c1[O-] ZINC000588096565 507759838 /nfs/dbraw/zinc/75/98/38/507759838.db2.gz IOAWSJMVQJEMAN-OAHLLOKOSA-N -1 3 366.845 3.178 20 0 FGADHM COC(=O)c1cc(Cl)cc(NC(=O)CCc2c(C)noc2Cl)c1[O-] ZINC000588095200 507760329 /nfs/dbraw/zinc/76/03/29/507760329.db2.gz JDPOFSHQOLHVRN-UHFFFAOYSA-N -1 3 373.192 3.353 20 0 FGADHM COC(=O)c1cc(Cl)cc(NC(=O)COc2ccc(F)cc2F)c1[O-] ZINC000588098380 507760871 /nfs/dbraw/zinc/76/08/71/507760871.db2.gz QWEWGQKYBQMVNA-UHFFFAOYSA-N -1 3 371.723 3.128 20 0 FGADHM O=C(CCC1CCOCC1)Nc1nnc(-c2ccc3ccccc3n2)[n-]1 ZINC000615123760 507761088 /nfs/dbraw/zinc/76/10/88/507761088.db2.gz OSGFDVOTCKIHII-UHFFFAOYSA-N -1 3 351.410 3.165 20 0 FGADHM O=C(CCC1CCOCC1)Nc1nc(-c2ccc3ccccc3n2)n[n-]1 ZINC000615123760 507761092 /nfs/dbraw/zinc/76/10/92/507761092.db2.gz OSGFDVOTCKIHII-UHFFFAOYSA-N -1 3 351.410 3.165 20 0 FGADHM O=C(CCC1CCOCC1)Nc1n[n-]c(-c2ccc3ccccc3n2)n1 ZINC000615123760 507761096 /nfs/dbraw/zinc/76/10/96/507761096.db2.gz OSGFDVOTCKIHII-UHFFFAOYSA-N -1 3 351.410 3.165 20 0 FGADHM COC(=O)c1cc(Cl)cc(NC(=O)C[C@H]2C[C@@H](C(C)=O)C2(C)C)c1[O-] ZINC000588098055 507761133 /nfs/dbraw/zinc/76/11/33/507761133.db2.gz BJAFXHKSQVAMAL-MFKMUULPSA-N -1 3 367.829 3.412 20 0 FGADHM COC(=O)c1cc(Cl)cc(NC(=O)C(C)(C)COCC(F)F)c1[O-] ZINC000588100793 507762623 /nfs/dbraw/zinc/76/26/23/507762623.db2.gz MPAKMADYCNTPMF-UHFFFAOYSA-N -1 3 365.760 3.079 20 0 FGADHM CCCc1ccc(-c2cc(=NC(=O)[C@H]3CCC[C@@H](C(N)=O)C3)[nH][n-]2)cc1 ZINC000471247572 514812023 /nfs/dbraw/zinc/81/20/23/514812023.db2.gz SYGUMYWXFZQRHZ-CVEARBPZSA-N -1 3 354.454 3.259 20 0 FGADHM Cc1ccccc1[C@H]([C@@H](C)NC(=O)N=c1ncn(C(C)(C)C)[n-]1)N(C)C ZINC000480318046 514919060 /nfs/dbraw/zinc/91/90/60/514919060.db2.gz IULLECRFQXXCJH-ZBFHGGJFSA-N -1 3 358.490 3.154 20 0 FGADHM C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)c1csc(=NC2CC2)[n-]1 ZINC000476508347 515076207 /nfs/dbraw/zinc/07/62/07/515076207.db2.gz HWMJZXKLHFFUCK-HNNXBMFYSA-N -1 3 370.522 3.454 20 0 FGADHM Cn1[n-]c(=NC(=O)c2ccccc2Oc2ccncc2)cc1OC(F)F ZINC000509344035 515132189 /nfs/dbraw/zinc/13/21/89/515132189.db2.gz MCQNYCLVTYHJJX-UHFFFAOYSA-N -1 3 360.320 3.461 20 0 FGADHM Cc1nc2cc(F)ccc2cc1C(=O)N=c1cc(OC(F)F)n(C)[n-]1 ZINC000491002370 515354044 /nfs/dbraw/zinc/35/40/44/515354044.db2.gz NGHYZPDRHKXSIB-UHFFFAOYSA-N -1 3 350.300 3.270 20 0 FGADHM Cc1cccc(C(C)C)c1NC(=O)C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000472978261 515464531 /nfs/dbraw/zinc/46/45/31/515464531.db2.gz NEUWDTSNSPBUOZ-OAHLLOKOSA-N -1 3 356.426 3.270 20 0 FGADHM COc1ccc(C(=O)CCCC(=O)N=c2cc(-c3ccncc3)[n-][nH]2)cc1 ZINC000491891920 515481242 /nfs/dbraw/zinc/48/12/42/515481242.db2.gz QDOWCNZIKBBPFR-UHFFFAOYSA-N -1 3 364.405 3.472 20 0 FGADHM CO[C@@H]1CCCC[C@H]1NC(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482106200 515578484 /nfs/dbraw/zinc/57/84/84/515578484.db2.gz SQEHOGXOLOREOS-CHWSQXEVSA-N -1 3 367.247 3.176 20 0 FGADHM CC[C@@H]1CN(C(=O)N=c2cc3ccc(Br)cn3[n-]2)C[C@@H](C)O1 ZINC000482141948 515586766 /nfs/dbraw/zinc/58/67/66/515586766.db2.gz NXHXWZKMWVUEBV-ZWNOBZJWSA-N -1 3 367.247 3.128 20 0 FGADHM C[C@H]1SCCN(C(=O)N=c2cc3ccc(Br)cn3[n-]2)[C@@H]1C ZINC000482211939 515609082 /nfs/dbraw/zinc/60/90/82/515609082.db2.gz PANHTCGOORBHAE-NXEZZACHSA-N -1 3 369.288 3.455 20 0 FGADHM CCc1cc(C(=O)NCCNc2ccc(-c3ccccc3)nn2)ccc1[O-] ZINC000486739382 515614007 /nfs/dbraw/zinc/61/40/07/515614007.db2.gz SMLMHFFOMSQHIS-UHFFFAOYSA-N -1 3 362.433 3.254 20 0 FGADHM O=C(Cc1ccccc1Br)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000473856554 515779856 /nfs/dbraw/zinc/77/98/56/515779856.db2.gz LTESWXUHWJRTEE-CYBMUJFWSA-N -1 3 350.216 3.205 20 0 FGADHM COc1cccc(F)c1C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000511302144 515856957 /nfs/dbraw/zinc/85/69/57/515856957.db2.gz RIYVWENHLLRLPM-UHFFFAOYSA-N -1 3 364.174 3.497 20 0 FGADHM CC(C)(C)CCN1CCN(C(=O)N=c2[n-]nc(C(C)(C)C)s2)CC1 ZINC000511600331 515956502 /nfs/dbraw/zinc/95/65/02/515956502.db2.gz QZMXTWLAMRTSAJ-UHFFFAOYSA-N -1 3 353.536 3.421 20 0 FGADHM COc1ccc(C)cc1-n1ccc(C(=O)N=c2cc(-c3ccncc3)[n-][nH]2)n1 ZINC000512311686 516234328 /nfs/dbraw/zinc/23/43/28/516234328.db2.gz CKIQPELKABADNY-UHFFFAOYSA-N -1 3 374.404 3.227 20 0 FGADHM O=C(CCc1nc(-c2ccccn2)no1)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000497568698 516326822 /nfs/dbraw/zinc/32/68/22/516326822.db2.gz XKUOYJRDHNOYHO-UHFFFAOYSA-N -1 3 360.377 3.093 20 0 FGADHM Cc1cc(=NC(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)[n-]nc1C ZINC000531817220 516656293 /nfs/dbraw/zinc/65/62/93/516656293.db2.gz NFFHMBMGVQKOFY-INIZCTEOSA-N -1 3 353.470 3.222 20 0 FGADHM CCN=c1[n-]c(C(=O)N[C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)cs1 ZINC000540663935 516659104 /nfs/dbraw/zinc/65/91/04/516659104.db2.gz IHLHORONKUSDHG-OCCSQVGLSA-N -1 3 353.394 3.113 20 0 FGADHM Cc1cc(=NC(=O)c2cc(-c3c(C)nn(C)c3C)[n-]n2)[nH]n1[C@@H](C)C1CC1 ZINC000544262575 516668620 /nfs/dbraw/zinc/66/86/20/516668620.db2.gz VKCPZRLWKWRKPQ-LBPRGKRZSA-N -1 3 367.457 3.155 20 0 FGADHM CC(=O)CCC(C)(C)C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000513747893 516739467 /nfs/dbraw/zinc/73/94/67/516739467.db2.gz XICJLKBIQXYDDO-UHFFFAOYSA-N -1 3 352.232 3.431 20 0 FGADHM C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2csc(=NC3CC3)[n-]2)C1 ZINC000532659375 517084793 /nfs/dbraw/zinc/08/47/93/517084793.db2.gz KPRRBMCBQMBCGM-CJNGLKHVSA-N -1 3 356.495 3.283 20 0 FGADHM CCc1cncc(C(=O)N=c2[nH][n-]c(C)c2-c2ccc3c(c2)OCCO3)c1 ZINC000514992105 517158005 /nfs/dbraw/zinc/15/80/05/517158005.db2.gz IQDJXCGXUWTGGI-UHFFFAOYSA-N -1 3 364.405 3.366 20 0 FGADHM O=C(Cc1coc(-c2ccc(F)cc2)n1)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000525967202 517262966 /nfs/dbraw/zinc/26/29/66/517262966.db2.gz VKSRXFFZLPZZJF-OAHLLOKOSA-N -1 3 356.357 3.237 20 0 FGADHM CN(C(=O)N=c1ccc(C2CC2)n[n-]1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000533308141 517399265 /nfs/dbraw/zinc/39/92/65/517399265.db2.gz QJCUOFJAEPLGIP-GOSISDBHSA-N -1 3 365.481 3.482 20 0 FGADHM COc1ccc2nc(C)cc(C(=O)N=c3cc([C@H]4CCCO4)[n-][nH]3)c2c1 ZINC000526961176 517413347 /nfs/dbraw/zinc/41/33/47/517413347.db2.gz QOHKLFDASMYBLX-QGZVFWFLSA-N -1 3 352.394 3.379 20 0 FGADHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1ccc(F)cc1Br ZINC000527208012 517561909 /nfs/dbraw/zinc/56/19/09/517561909.db2.gz FVVGLTQKQFGZPQ-LBPRGKRZSA-N -1 3 354.179 3.415 20 0 FGADHM COCCn1cc(C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)c2ccccc21 ZINC000527209286 517562387 /nfs/dbraw/zinc/56/23/87/517562387.db2.gz YGRVNPHTVOUANY-KRWDZBQOSA-N -1 3 354.410 3.115 20 0 FGADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)[C@@H]2CCc3n[nH]cc3C2)[nH][n-]1 ZINC000533856904 517642560 /nfs/dbraw/zinc/64/25/60/517642560.db2.gz HDEBEAWIHHSQPE-SNVBAGLBSA-N -1 3 371.828 3.205 20 0 FGADHM CC(C)(C)c1nc(=NCCCCN2CCN(c3ccccc3)CC2)[n-]o1 ZINC000542767144 517726781 /nfs/dbraw/zinc/72/67/81/517726781.db2.gz YBYIFIAMMMLNQC-UHFFFAOYSA-N -1 3 357.502 3.381 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)C2C[C@@H](C)O[C@H](C)C2)c1-c1ccc2c(c1)OCCO2 ZINC000538822284 517793226 /nfs/dbraw/zinc/79/32/26/517793226.db2.gz NAIAZAYBZKOKHD-VXGBXAGGSA-N -1 3 371.437 3.298 20 0 FGADHM O=C(Nc1cc(C2CCCCCC2)[nH]n1)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000516942993 517929331 /nfs/dbraw/zinc/92/93/31/517929331.db2.gz MZOSZELFKHMXON-UHFFFAOYSA-N -1 3 367.409 3.375 20 0 FGADHM COCCCOCC(=O)N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1 ZINC000539390294 518023742 /nfs/dbraw/zinc/02/37/42/518023742.db2.gz DACUGNQGGKWELG-UHFFFAOYSA-N -1 3 358.225 3.375 20 0 FGADHM Cc1nccc(NCc2cccc(C(=O)NCc3ccc([O-])c(F)c3)c2)n1 ZINC000543579258 518143449 /nfs/dbraw/zinc/14/34/49/518143449.db2.gz DJMIYTMNPIUVCP-UHFFFAOYSA-N -1 3 366.396 3.172 20 0 FGADHM CN(Cc1ccccc1)[C@@H]1CCN(C(=O)N=c2[n-]nc(C3CC3)s2)C1 ZINC000608263372 521641510 /nfs/dbraw/zinc/64/15/10/521641510.db2.gz LTTGYIACEHLPEP-OAHLLOKOSA-N -1 3 357.483 3.154 20 0 FGADHM C[C@H]1Cc2c[nH]nc2[C@@H](C(=O)N=c2cc(-c3cc(F)cc(F)c3)[n-][nH]2)C1 ZINC000623201015 521848471 /nfs/dbraw/zinc/84/84/71/521848471.db2.gz CKWYTYFMJBUJJU-XPTSAGLGSA-N -1 3 357.364 3.383 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)c2ccn(C3CCOCC3)n2)c1-c1ccc(F)cc1 ZINC000630028089 522591250 /nfs/dbraw/zinc/59/12/50/522591250.db2.gz LUDBASPPNVVANX-UHFFFAOYSA-N -1 3 369.400 3.325 20 0 FGADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)[C@H]1COC[C@@H]1c1ccccc1 ZINC000622888109 523530606 /nfs/dbraw/zinc/53/06/06/523530606.db2.gz TXRAOYXNPIMUOO-NEPJUHHUSA-N -1 3 373.762 3.468 20 0 FGADHM CC(C)CN1C[C@H](C(=O)N=c2cc(-c3cccc(Cl)c3)[n-][nH]2)CC1=O ZINC000622891309 523532099 /nfs/dbraw/zinc/53/20/99/523532099.db2.gz RQXZIZAYFQSTQW-CYBMUJFWSA-N -1 3 360.845 3.173 20 0 FGADHM O=C(CNC(=O)c1ccccc1)N=c1cc(-c2cccc(Cl)c2)[n-][nH]1 ZINC000622892351 523534556 /nfs/dbraw/zinc/53/45/56/523534556.db2.gz LUMOKEUIRKXDNT-UHFFFAOYSA-N -1 3 354.797 3.099 20 0 FGADHM CC(C)(C)[C@H](CCO)NC(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482111556 561248649 /nfs/dbraw/zinc/24/86/49/561248649.db2.gz CXONLXFANHOYFC-LBPRGKRZSA-N -1 3 369.263 3.015 20 0 FGADHM CCCc1ccc(-c2cc(=NC(=O)c3ccc4n[nH]c(=O)n4c3)[nH][n-]2)cc1 ZINC000483274432 561272547 /nfs/dbraw/zinc/27/25/47/561272547.db2.gz YTNDGIHAEIDBPL-UHFFFAOYSA-N -1 3 362.393 3.030 20 0 FGADHM O=C(N=c1cc(-c2ccccc2)[n-][nH]1)[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000519067782 562124389 /nfs/dbraw/zinc/12/43/89/562124389.db2.gz VLJWPJQAWCQISE-QGZVFWFLSA-N -1 3 360.417 3.064 20 0 FGADHM Cc1c(C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)cnn1Cc1ccccc1 ZINC000527499715 562290097 /nfs/dbraw/zinc/29/00/97/562290097.db2.gz UCWGOFRHWSLSAS-KRWDZBQOSA-N -1 3 351.410 3.067 20 0 FGADHM CC(C)(C)Oc1ccccc1NC(=O)C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000472970838 561039108 /nfs/dbraw/zinc/03/91/08/561039108.db2.gz RYNCNZQMTMCGNY-CQSZACIVSA-N -1 3 372.425 3.016 20 0 FGADHM COc1ccc(-n2nc(C(=O)N=c3cc([C@H]4CCCO4)[n-][nH]3)cc2C)cc1 ZINC000473852858 561059145 /nfs/dbraw/zinc/05/91/45/561059145.db2.gz VJJCCLFWVVAMCT-QGZVFWFLSA-N -1 3 367.409 3.016 20 0 FGADHM CC[C@@H](NC(=O)c1c(C)cccc1[O-])[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000626270677 568535780 /nfs/dbraw/zinc/53/57/80/568535780.db2.gz JJNNDNWJEBFGRH-YLJYHZDGSA-N -1 3 364.449 3.399 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@@H](Cc1ccccc1)C(C)C ZINC000737026954 598829579 /nfs/dbraw/zinc/82/95/79/598829579.db2.gz UNDSKDPLHUJVFL-INIZCTEOSA-N -1 3 366.421 3.296 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@@H](Cc1ccccc1)C(C)C ZINC000737026954 598829581 /nfs/dbraw/zinc/82/95/81/598829581.db2.gz UNDSKDPLHUJVFL-INIZCTEOSA-N -1 3 366.421 3.296 20 0 FGADHM CC[C@@H]1CCCCCN1C(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000736398809 598837469 /nfs/dbraw/zinc/83/74/69/598837469.db2.gz DMSRFFVPCABUPZ-MRXNPFEDSA-N -1 3 359.499 3.281 20 0 FGADHM CC[C@@H]1CCCCCN1C(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000736398809 598837471 /nfs/dbraw/zinc/83/74/71/598837471.db2.gz DMSRFFVPCABUPZ-MRXNPFEDSA-N -1 3 359.499 3.281 20 0 FGADHM CCCCCC(=O)Nc1c(C)c(C)nn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000736440568 598838982 /nfs/dbraw/zinc/83/89/82/598838982.db2.gz FAMGTPLKUUGTFA-UHFFFAOYSA-N -1 3 353.430 3.188 20 0 FGADHM Cc1ccc(C[C@@H]2CCCN2C(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737334013 598839111 /nfs/dbraw/zinc/83/91/11/598839111.db2.gz FFHXZBZLBWPMJQ-SFHVURJKSA-N -1 3 362.437 3.414 20 0 FGADHM Cc1ccc(C[C@@H]2CCCN2C(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737334013 598839113 /nfs/dbraw/zinc/83/91/13/598839113.db2.gz FFHXZBZLBWPMJQ-SFHVURJKSA-N -1 3 362.437 3.414 20 0 FGADHM O=C(OCCCOc1ccc(-c2nn[n-]n2)cc1)c1coc2ccccc12 ZINC000738223129 598849874 /nfs/dbraw/zinc/84/98/74/598849874.db2.gz RNLZNVVQNRKKJL-UHFFFAOYSA-N -1 3 364.361 3.239 20 0 FGADHM CN(CCc1ccc(Cl)cc1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736804342 598852550 /nfs/dbraw/zinc/85/25/50/598852550.db2.gz KVTSTKHRAXXOCT-UHFFFAOYSA-N -1 3 374.807 3.366 20 0 FGADHM CN(CCc1ccc(Cl)cc1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736804342 598852552 /nfs/dbraw/zinc/85/25/52/598852552.db2.gz KVTSTKHRAXXOCT-UHFFFAOYSA-N -1 3 374.807 3.366 20 0 FGADHM Cc1nnc(N[C@@H](C)c2ncc(-c3ccccc3)o2)c(-c2nnn[n-]2)c1C ZINC000737521846 598855536 /nfs/dbraw/zinc/85/55/36/598855536.db2.gz RPHXGGPYHNBFBH-LBPRGKRZSA-N -1 3 362.397 3.102 20 0 FGADHM Cc1nnc(N[C@@H](C)c2ncc(-c3ccccc3)o2)c(-c2nn[n-]n2)c1C ZINC000737521846 598855537 /nfs/dbraw/zinc/85/55/37/598855537.db2.gz RPHXGGPYHNBFBH-LBPRGKRZSA-N -1 3 362.397 3.102 20 0 FGADHM COC(=O)[C@H](Nc1ccc(C(C)C)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736897989 598878806 /nfs/dbraw/zinc/87/88/06/598878806.db2.gz NRYZSAYKMXUGTP-QGZVFWFLSA-N -1 3 351.410 3.316 20 0 FGADHM COC(=O)[C@H](Nc1ccc(C(C)C)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736897989 598878808 /nfs/dbraw/zinc/87/88/08/598878808.db2.gz NRYZSAYKMXUGTP-QGZVFWFLSA-N -1 3 351.410 3.316 20 0 FGADHM CC[C@@H](N[C@H](C(=O)OC)c1ccc(-c2nnn[n-]2)cc1)C1CCCCC1 ZINC000736371648 598883861 /nfs/dbraw/zinc/88/38/61/598883861.db2.gz REWKXXFELVJYGF-SJORKVTESA-N -1 3 357.458 3.029 20 0 FGADHM CC[C@@H](N[C@H](C(=O)OC)c1ccc(-c2nn[n-]n2)cc1)C1CCCCC1 ZINC000736371648 598883862 /nfs/dbraw/zinc/88/38/62/598883862.db2.gz REWKXXFELVJYGF-SJORKVTESA-N -1 3 357.458 3.029 20 0 FGADHM C[C@@H](C(=O)O[C@@H](C)COc1cccc(-c2nnn[n-]2)c1)c1ccccc1F ZINC000736038030 598888833 /nfs/dbraw/zinc/88/88/33/598888833.db2.gz RECIDNJSZRHKLU-QWHCGFSZSA-N -1 3 370.384 3.120 20 0 FGADHM C[C@@H](C(=O)O[C@@H](C)COc1cccc(-c2nn[n-]n2)c1)c1ccccc1F ZINC000736038030 598888835 /nfs/dbraw/zinc/88/88/35/598888835.db2.gz RECIDNJSZRHKLU-QWHCGFSZSA-N -1 3 370.384 3.120 20 0 FGADHM CCc1cnccc1NC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000736702272 598892289 /nfs/dbraw/zinc/89/22/89/598892289.db2.gz NOYUXJCNPFMGCE-UHFFFAOYSA-N -1 3 370.416 3.165 20 0 FGADHM CCc1cnccc1NC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000736702272 598892291 /nfs/dbraw/zinc/89/22/91/598892291.db2.gz NOYUXJCNPFMGCE-UHFFFAOYSA-N -1 3 370.416 3.165 20 0 FGADHM C[C@H](NC(=O)N1CC2(CC2)c2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000736110666 598906133 /nfs/dbraw/zinc/90/61/33/598906133.db2.gz JEYNSTQJFUELNA-ZDUSSCGKSA-N -1 3 360.421 3.189 20 0 FGADHM C[C@H](NC(=O)N1CC2(CC2)c2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000736110666 598906135 /nfs/dbraw/zinc/90/61/35/598906135.db2.gz JEYNSTQJFUELNA-ZDUSSCGKSA-N -1 3 360.421 3.189 20 0 FGADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NC[C@H](C)C(C)C ZINC000735830436 598907911 /nfs/dbraw/zinc/90/79/11/598907911.db2.gz FGARZRGWXCSOQP-HNNXBMFYSA-N -1 3 358.490 3.326 20 0 FGADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@H](C)C(C)C ZINC000735830436 598907913 /nfs/dbraw/zinc/90/79/13/598907913.db2.gz FGARZRGWXCSOQP-HNNXBMFYSA-N -1 3 358.490 3.326 20 0 FGADHM CSc1ccc(O[C@H](C)C(=O)Nc2sccc2-c2nnn[n-]2)cc1 ZINC000737193141 598911480 /nfs/dbraw/zinc/91/14/80/598911480.db2.gz XQYAMKGSYTZWDL-SECBINFHSA-N -1 3 361.452 3.056 20 0 FGADHM CSc1ccc(O[C@H](C)C(=O)Nc2sccc2-c2nn[n-]n2)cc1 ZINC000737193141 598911482 /nfs/dbraw/zinc/91/14/82/598911482.db2.gz XQYAMKGSYTZWDL-SECBINFHSA-N -1 3 361.452 3.056 20 0 FGADHM C[C@H](NC(=O)N1CCC[C@@]2(CC=CCC2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736113555 598920111 /nfs/dbraw/zinc/92/01/11/598920111.db2.gz PMZMBBGLXOVSIS-YWZLYKJASA-N -1 3 366.469 3.460 20 0 FGADHM C[C@H](NC(=O)N1CCC[C@@]2(CC=CCC2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736113555 598920113 /nfs/dbraw/zinc/92/01/13/598920113.db2.gz PMZMBBGLXOVSIS-YWZLYKJASA-N -1 3 366.469 3.460 20 0 FGADHM Cc1ccc(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1OC(F)F ZINC000737355569 598929629 /nfs/dbraw/zinc/92/96/29/598929629.db2.gz IQQJNUYWLOLDIE-CLFYSBASSA-N -1 3 371.347 3.428 20 0 FGADHM Cc1ccc(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1OC(F)F ZINC000737355569 598929630 /nfs/dbraw/zinc/92/96/30/598929630.db2.gz IQQJNUYWLOLDIE-CLFYSBASSA-N -1 3 371.347 3.428 20 0 FGADHM Cc1occc1-c1nnc(Sc2ncc(-c3nnn[n-]3)cc2Cl)o1 ZINC000737551084 598935890 /nfs/dbraw/zinc/93/58/90/598935890.db2.gz FJYYZQMAMITOKE-UHFFFAOYSA-N -1 3 361.774 3.018 20 0 FGADHM Cc1occc1-c1nnc(Sc2ncc(-c3nn[n-]n3)cc2Cl)o1 ZINC000737551084 598935891 /nfs/dbraw/zinc/93/58/91/598935891.db2.gz FJYYZQMAMITOKE-UHFFFAOYSA-N -1 3 361.774 3.018 20 0 FGADHM Fc1cccc(C[C@@H]2CCCN2c2ncc(-c3nnn[n-]3)cc2Cl)c1 ZINC000737668623 598939470 /nfs/dbraw/zinc/93/94/70/598939470.db2.gz WIPKNUPBACYECE-AWEZNQCLSA-N -1 3 358.808 3.266 20 0 FGADHM Fc1cccc(C[C@@H]2CCCN2c2ncc(-c3nn[n-]n3)cc2Cl)c1 ZINC000737668623 598939473 /nfs/dbraw/zinc/93/94/73/598939473.db2.gz WIPKNUPBACYECE-AWEZNQCLSA-N -1 3 358.808 3.266 20 0 FGADHM CC[C@H]1CCC[C@H](NC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736396626 598942426 /nfs/dbraw/zinc/94/24/26/598942426.db2.gz OBJAXSVFSAEQRI-BBRMVZONSA-N -1 3 359.499 3.185 20 0 FGADHM CC[C@H]1CCC[C@H](NC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736396626 598942428 /nfs/dbraw/zinc/94/24/28/598942428.db2.gz OBJAXSVFSAEQRI-BBRMVZONSA-N -1 3 359.499 3.185 20 0 FGADHM C[C@@H](c1nc(-c2ccccc2)no1)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736200741 598945075 /nfs/dbraw/zinc/94/50/75/598945075.db2.gz BLXNHWRLRZBGNX-ZDUSSCGKSA-N -1 3 361.409 3.110 20 0 FGADHM C[C@@H]1C[C@H](C)CN1C(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736231245 598951514 /nfs/dbraw/zinc/95/15/14/598951514.db2.gz WMJWXOWCTOYMBX-UONOGXRCSA-N -1 3 362.437 3.481 20 0 FGADHM Cc1nnc(N[C@@H]2C[C@@H]2c2c(F)cccc2Cl)c(-c2nnn[n-]2)c1C ZINC000737521573 598972226 /nfs/dbraw/zinc/97/22/26/598972226.db2.gz PUZXZDHBXJOGTN-JOYOIKCWSA-N -1 3 359.796 3.034 20 0 FGADHM Cc1nnc(N[C@@H]2C[C@@H]2c2c(F)cccc2Cl)c(-c2nn[n-]n2)c1C ZINC000737521573 598972227 /nfs/dbraw/zinc/97/22/27/598972227.db2.gz PUZXZDHBXJOGTN-JOYOIKCWSA-N -1 3 359.796 3.034 20 0 FGADHM O[C@@H](CNc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccccc1Cl ZINC000738382489 598974540 /nfs/dbraw/zinc/97/45/40/598974540.db2.gz LCKRVELWUGFMOD-AWEZNQCLSA-N -1 3 350.209 3.319 20 0 FGADHM O[C@@H](CNc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccccc1Cl ZINC000738382489 598974542 /nfs/dbraw/zinc/97/45/42/598974542.db2.gz LCKRVELWUGFMOD-AWEZNQCLSA-N -1 3 350.209 3.319 20 0 FGADHM Fc1ccc(NCCOc2ccc(-c3nn[n-]n3)cc2)c(OCC2CC2)c1 ZINC000737657078 598980091 /nfs/dbraw/zinc/98/00/91/598980091.db2.gz UJVDALHYSSHSBE-UHFFFAOYSA-N -1 3 369.400 3.286 20 0 FGADHM Cc1c(N[C@H]2CCN(c3ccccc3Cl)C2=O)cccc1-c1nnn[n-]1 ZINC000822115292 607256287 /nfs/dbraw/zinc/25/62/87/607256287.db2.gz AGPSKLFHPRYVMD-HNNXBMFYSA-N -1 3 368.828 3.046 20 0 FGADHM Cc1c(N[C@H]2CCN(c3ccccc3Cl)C2=O)cccc1-c1nn[n-]n1 ZINC000822115292 607256288 /nfs/dbraw/zinc/25/62/88/607256288.db2.gz AGPSKLFHPRYVMD-HNNXBMFYSA-N -1 3 368.828 3.046 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OCCN(c1ccccc1)C(C)C ZINC000737033628 598983072 /nfs/dbraw/zinc/98/30/72/598983072.db2.gz VKDLSOLARIBCIZ-UHFFFAOYSA-N -1 3 353.426 3.169 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OCCN(c1ccccc1)C(C)C ZINC000737033628 598983074 /nfs/dbraw/zinc/98/30/74/598983074.db2.gz VKDLSOLARIBCIZ-UHFFFAOYSA-N -1 3 353.426 3.169 20 0 FGADHM CC(C)(C)CNC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000735618121 598996695 /nfs/dbraw/zinc/99/66/95/598996695.db2.gz IGUJIUXJIGJMQD-UHFFFAOYSA-N -1 3 365.437 3.222 20 0 FGADHM CC(C)(C)CNC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000735618121 598996696 /nfs/dbraw/zinc/99/66/96/598996696.db2.gz IGUJIUXJIGJMQD-UHFFFAOYSA-N -1 3 365.437 3.222 20 0 FGADHM CC[C@@H](NC(=S)Nc1cc(-c2nnn[n-]2)ccc1OC)c1cccs1 ZINC000736370183 599014040 /nfs/dbraw/zinc/01/40/40/599014040.db2.gz MSJCVRULNLADIZ-LLVKDONJSA-N -1 3 374.495 3.375 20 0 FGADHM CC[C@@H](NC(=S)Nc1cc(-c2nn[n-]n2)ccc1OC)c1cccs1 ZINC000736370183 599014042 /nfs/dbraw/zinc/01/40/42/599014042.db2.gz MSJCVRULNLADIZ-LLVKDONJSA-N -1 3 374.495 3.375 20 0 FGADHM CSc1ccc(O[C@@H](C)C(=O)OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000737190529 599016522 /nfs/dbraw/zinc/01/65/22/599016522.db2.gz HTQWZRTYTJCOIM-LBPRGKRZSA-N -1 3 370.434 3.099 20 0 FGADHM CSc1ccc(O[C@@H](C)C(=O)OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000737190529 599016523 /nfs/dbraw/zinc/01/65/23/599016523.db2.gz HTQWZRTYTJCOIM-LBPRGKRZSA-N -1 3 370.434 3.099 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)NC1(c2cccc(Cl)c2)CC1 ZINC000738167192 599023317 /nfs/dbraw/zinc/02/33/17/599023317.db2.gz OEAPOQAEAOSLGO-UHFFFAOYSA-N -1 3 372.791 3.470 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)NC1(c2cccc(Cl)c2)CC1 ZINC000738167192 599023319 /nfs/dbraw/zinc/02/33/19/599023319.db2.gz OEAPOQAEAOSLGO-UHFFFAOYSA-N -1 3 372.791 3.470 20 0 FGADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(N[C@H]2C[C@H]2Cc2ccccc2)n1 ZINC000822723506 599034711 /nfs/dbraw/zinc/03/47/11/599034711.db2.gz GZTLXQBXJLKGIM-YPMHNXCESA-N -1 3 360.343 3.324 20 0 FGADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(N[C@H]2C[C@H]2Cc2ccccc2)n1 ZINC000822723506 599034713 /nfs/dbraw/zinc/03/47/13/599034713.db2.gz GZTLXQBXJLKGIM-YPMHNXCESA-N -1 3 360.343 3.324 20 0 FGADHM Cc1ccccc1[C@@H]1CN(c2ccc(Cl)cc2-c2nnn[n-]2)CCO1 ZINC000822350833 599036817 /nfs/dbraw/zinc/03/68/17/599036817.db2.gz HOPLTHOFJMUJRC-KRWDZBQOSA-N -1 3 355.829 3.406 20 0 FGADHM Cc1ccccc1[C@@H]1CN(c2ccc(Cl)cc2-c2nn[n-]n2)CCO1 ZINC000822350833 599036819 /nfs/dbraw/zinc/03/68/19/599036819.db2.gz HOPLTHOFJMUJRC-KRWDZBQOSA-N -1 3 355.829 3.406 20 0 FGADHM Cc1ccccc1[C@@H]1CN(c2cc(Cl)ccc2-c2nnn[n-]2)CCO1 ZINC000822350817 599037245 /nfs/dbraw/zinc/03/72/45/599037245.db2.gz HMMHJENSVGBTBR-KRWDZBQOSA-N -1 3 355.829 3.406 20 0 FGADHM Cc1ccccc1[C@@H]1CN(c2cc(Cl)ccc2-c2nn[n-]n2)CCO1 ZINC000822350817 599037248 /nfs/dbraw/zinc/03/72/48/599037248.db2.gz HMMHJENSVGBTBR-KRWDZBQOSA-N -1 3 355.829 3.406 20 0 FGADHM CCc1cc(CNc2cc(C)c(-c3nnn[n-]3)c3nc4ccccc4n32)on1 ZINC000736676761 599043891 /nfs/dbraw/zinc/04/38/91/599043891.db2.gz UXXKRZCWAAAZBO-UHFFFAOYSA-N -1 3 374.408 3.139 20 0 FGADHM CCc1cc(CNc2cc(C)c(-c3nn[n-]n3)c3nc4ccccc4n32)on1 ZINC000736676761 599043894 /nfs/dbraw/zinc/04/38/94/599043894.db2.gz UXXKRZCWAAAZBO-UHFFFAOYSA-N -1 3 374.408 3.139 20 0 FGADHM COc1ccc2c(c1)OCC[C@@H]2Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000821854174 599044293 /nfs/dbraw/zinc/04/42/93/599044293.db2.gz HIZGTEAFLJCOPH-HNNXBMFYSA-N -1 3 357.801 3.464 20 0 FGADHM COc1ccc2c(c1)OCC[C@@H]2Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000821854174 599044296 /nfs/dbraw/zinc/04/42/96/599044296.db2.gz HIZGTEAFLJCOPH-HNNXBMFYSA-N -1 3 357.801 3.464 20 0 FGADHM Cc1nnc(NC2CC(c3cccc(Cl)c3)C2)c(-c2nnn[n-]2)c1C ZINC000822510697 599047457 /nfs/dbraw/zinc/04/74/57/599047457.db2.gz VCTHRWABLGTCBM-UHFFFAOYSA-N -1 3 355.833 3.285 20 0 FGADHM Cc1nnc(NC2CC(c3cccc(Cl)c3)C2)c(-c2nn[n-]n2)c1C ZINC000822510697 599047460 /nfs/dbraw/zinc/04/74/60/599047460.db2.gz VCTHRWABLGTCBM-UHFFFAOYSA-N -1 3 355.833 3.285 20 0 FGADHM Fc1ccc(F)c(CNc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)c1 ZINC000737661621 599055384 /nfs/dbraw/zinc/05/53/84/599055384.db2.gz ZPRKIRRVMSLNFD-UHFFFAOYSA-N -1 3 356.258 3.171 20 0 FGADHM Fc1ccc(F)c(CNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)c1 ZINC000737661621 599055387 /nfs/dbraw/zinc/05/53/87/599055387.db2.gz ZPRKIRRVMSLNFD-UHFFFAOYSA-N -1 3 356.258 3.171 20 0 FGADHM Fc1cccc(CCCNc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)c1 ZINC000737667954 599057252 /nfs/dbraw/zinc/05/72/52/599057252.db2.gz STHPBYCZSJPQPP-UHFFFAOYSA-N -1 3 366.322 3.464 20 0 FGADHM Fc1cccc(CCCNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)c1 ZINC000737667954 599057255 /nfs/dbraw/zinc/05/72/55/599057255.db2.gz STHPBYCZSJPQPP-UHFFFAOYSA-N -1 3 366.322 3.464 20 0 FGADHM Cc1ccc2cccc(C(=O)OCc3ccc(F)cc3-c3nnn[n-]3)c2n1 ZINC000737374260 599058392 /nfs/dbraw/zinc/05/83/92/599058392.db2.gz MYUDQLKODUWSTK-UHFFFAOYSA-N -1 3 363.352 3.219 20 0 FGADHM Cc1ccc2cccc(C(=O)OCc3ccc(F)cc3-c3nn[n-]n3)c2n1 ZINC000737374260 599058395 /nfs/dbraw/zinc/05/83/95/599058395.db2.gz MYUDQLKODUWSTK-UHFFFAOYSA-N -1 3 363.352 3.219 20 0 FGADHM Cc1ccc(C[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)c2ccccn2)cc1 ZINC000737335820 599064181 /nfs/dbraw/zinc/06/41/81/599064181.db2.gz XDHFDQZTLTXOHR-GOSISDBHSA-N -1 3 357.421 3.361 20 0 FGADHM Cc1ccc(C[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)c2ccccn2)cc1 ZINC000737335820 599064184 /nfs/dbraw/zinc/06/41/84/599064184.db2.gz XDHFDQZTLTXOHR-GOSISDBHSA-N -1 3 357.421 3.361 20 0 FGADHM Cc1ccc(N2CCC[C@H](Nc3cccc(F)c3-c3nnn[n-]3)C2)cc1 ZINC000822242832 599065454 /nfs/dbraw/zinc/06/54/54/599065454.db2.gz ZHRALIODWXUARY-AWEZNQCLSA-N -1 3 352.417 3.395 20 0 FGADHM Cc1ccc(N2CCC[C@H](Nc3cccc(F)c3-c3nn[n-]n3)C2)cc1 ZINC000822242832 599065456 /nfs/dbraw/zinc/06/54/56/599065456.db2.gz ZHRALIODWXUARY-AWEZNQCLSA-N -1 3 352.417 3.395 20 0 FGADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N[C@H](C)COCc1ccccc1 ZINC000822334757 599081226 /nfs/dbraw/zinc/08/12/26/599081226.db2.gz GKSBBQVKIKKPQP-OAHLLOKOSA-N -1 3 374.448 3.162 20 0 FGADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N[C@H](C)COCc1ccccc1 ZINC000822334757 599081228 /nfs/dbraw/zinc/08/12/28/599081228.db2.gz GKSBBQVKIKKPQP-OAHLLOKOSA-N -1 3 374.448 3.162 20 0 FGADHM Cc1ccc([C@H]2CCCCN2C(=O)Cc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000737328783 599082297 /nfs/dbraw/zinc/08/22/97/599082297.db2.gz HNGHDJFBUYFOSP-MRXNPFEDSA-N -1 3 351.410 3.064 20 0 FGADHM Cc1ccc([C@H]2CCCCN2C(=O)Cc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000737328783 599082300 /nfs/dbraw/zinc/08/23/00/599082300.db2.gz HNGHDJFBUYFOSP-MRXNPFEDSA-N -1 3 351.410 3.064 20 0 FGADHM C[C@@H]1[C@@H](C)CCCN1C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736267155 599082448 /nfs/dbraw/zinc/08/24/48/599082448.db2.gz QHLOUOJMCAKSHS-LSDHHAIUSA-N -1 3 357.458 3.063 20 0 FGADHM C[C@@H]1[C@@H](C)CCCN1C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736267155 599082452 /nfs/dbraw/zinc/08/24/52/599082452.db2.gz QHLOUOJMCAKSHS-LSDHHAIUSA-N -1 3 357.458 3.063 20 0 FGADHM CCc1ccc([C@H]2CCCCN2C(=O)Cc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000736689416 599084711 /nfs/dbraw/zinc/08/47/11/599084711.db2.gz WOMCRGHVAGRURB-QGZVFWFLSA-N -1 3 365.437 3.318 20 0 FGADHM CCc1ccc([C@H]2CCCCN2C(=O)Cc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000736689416 599084713 /nfs/dbraw/zinc/08/47/13/599084713.db2.gz WOMCRGHVAGRURB-QGZVFWFLSA-N -1 3 365.437 3.318 20 0 FGADHM CCc1ccc([C@H]2CCCCN2C(=O)c2sccc2-c2nnn[n-]2)o1 ZINC000736685501 599085097 /nfs/dbraw/zinc/08/50/97/599085097.db2.gz MEDPOMUXHMXBRJ-CYBMUJFWSA-N -1 3 357.439 3.451 20 0 FGADHM CCc1ccc([C@H]2CCCCN2C(=O)c2sccc2-c2nn[n-]n2)o1 ZINC000736685501 599085100 /nfs/dbraw/zinc/08/51/00/599085100.db2.gz MEDPOMUXHMXBRJ-CYBMUJFWSA-N -1 3 357.439 3.451 20 0 FGADHM Cc1ccccc1C1CC(N(C(=O)c2ccc(-c3nnn[n-]3)cn2)C2CC2)C1 ZINC000737419881 599094649 /nfs/dbraw/zinc/09/46/49/599094649.db2.gz CLWVHHBGONNQJJ-UHFFFAOYSA-N -1 3 374.448 3.121 20 0 FGADHM Cc1ccccc1C1CC(N(C(=O)c2ccc(-c3nn[n-]n3)cn2)C2CC2)C1 ZINC000737419881 599094652 /nfs/dbraw/zinc/09/46/52/599094652.db2.gz CLWVHHBGONNQJJ-UHFFFAOYSA-N -1 3 374.448 3.121 20 0 FGADHM CCO[C@H]1C[C@@H](N(C)C(=O)c2cccc(-c3nnn[n-]3)c2)C12CCCCC2 ZINC000736616363 599098227 /nfs/dbraw/zinc/09/82/27/599098227.db2.gz NZFSXQXQBRJCDE-SJORKVTESA-N -1 3 369.469 3.067 20 0 FGADHM CCO[C@H]1C[C@@H](N(C)C(=O)c2cccc(-c3nn[n-]n3)c2)C12CCCCC2 ZINC000736616363 599098230 /nfs/dbraw/zinc/09/82/30/599098230.db2.gz NZFSXQXQBRJCDE-SJORKVTESA-N -1 3 369.469 3.067 20 0 FGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N(CC1CC1)CC1CC1 ZINC000735659558 599103153 /nfs/dbraw/zinc/10/31/53/599103153.db2.gz CRUTZOTXRYGQHS-UHFFFAOYSA-N -1 3 357.462 3.077 20 0 FGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N(CC1CC1)CC1CC1 ZINC000735659558 599103154 /nfs/dbraw/zinc/10/31/54/599103154.db2.gz CRUTZOTXRYGQHS-UHFFFAOYSA-N -1 3 357.462 3.077 20 0 FGADHM C[C@H]1CCC[C@H](CCNC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000736254373 599105688 /nfs/dbraw/zinc/10/56/88/599105688.db2.gz YWULZPLVUWYTHV-QWHCGFSZSA-N -1 3 360.437 3.021 20 0 FGADHM C[C@H]1CCC[C@H](CCNC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000736254373 599105690 /nfs/dbraw/zinc/10/56/90/599105690.db2.gz YWULZPLVUWYTHV-QWHCGFSZSA-N -1 3 360.437 3.021 20 0 FGADHM Cc1cc(Cl)ccc1NC(=O)CNc1cccc(-c2nnn[n-]2)c1C ZINC000822202281 607258474 /nfs/dbraw/zinc/25/84/74/607258474.db2.gz UGOGAWQRAURKTC-UHFFFAOYSA-N -1 3 356.817 3.188 20 0 FGADHM Cc1cc(Cl)ccc1NC(=O)CNc1cccc(-c2nn[n-]n2)c1C ZINC000822202281 607258475 /nfs/dbraw/zinc/25/84/75/607258475.db2.gz UGOGAWQRAURKTC-UHFFFAOYSA-N -1 3 356.817 3.188 20 0 FGADHM C[C@H](NC(=O)CSc1ccccc1-c1nnn[n-]1)c1ccc(Cl)cc1 ZINC000736112491 599108976 /nfs/dbraw/zinc/10/89/76/599108976.db2.gz SPNDZYJFLVLIPV-NSHDSACASA-N -1 3 373.869 3.490 20 0 FGADHM C[C@H](NC(=O)CSc1ccccc1-c1nn[n-]n1)c1ccc(Cl)cc1 ZINC000736112491 599108978 /nfs/dbraw/zinc/10/89/78/599108978.db2.gz SPNDZYJFLVLIPV-NSHDSACASA-N -1 3 373.869 3.490 20 0 FGADHM C[C@@H](CCc1ccccc1F)C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820253977 599136447 /nfs/dbraw/zinc/13/64/47/599136447.db2.gz LHDXMUFNZVFJML-KBPBESRZSA-N -1 3 367.428 3.452 20 0 FGADHM C[C@@H](CCc1ccccc1F)C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820253977 599136448 /nfs/dbraw/zinc/13/64/48/599136448.db2.gz LHDXMUFNZVFJML-KBPBESRZSA-N -1 3 367.428 3.452 20 0 FGADHM C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736236305 599144868 /nfs/dbraw/zinc/14/48/68/599144868.db2.gz RMHCHJULMMGPGO-GXTWGEPZSA-N -1 3 366.400 3.416 20 0 FGADHM C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736236305 599144869 /nfs/dbraw/zinc/14/48/69/599144869.db2.gz RMHCHJULMMGPGO-GXTWGEPZSA-N -1 3 366.400 3.416 20 0 FGADHM C[C@@H](CCc1ccccc1F)C(=O)N(C)c1cccc(-c2nnn[n-]2)c1 ZINC000820254495 599146970 /nfs/dbraw/zinc/14/69/70/599146970.db2.gz QCBYUQQNQKHVHY-ZDUSSCGKSA-N -1 3 353.401 3.238 20 0 FGADHM C[C@@H](CCc1ccccc1F)C(=O)N(C)c1cccc(-c2nn[n-]n2)c1 ZINC000820254495 599146972 /nfs/dbraw/zinc/14/69/72/599146972.db2.gz QCBYUQQNQKHVHY-ZDUSSCGKSA-N -1 3 353.401 3.238 20 0 FGADHM COc1ccc(C=C2C(=O)Nc3cc(Cl)ccc32)cc1-c1nnn[n-]1 ZINC000737082587 599150919 /nfs/dbraw/zinc/15/09/19/599150919.db2.gz JGNABLQRSNINJL-WUXMJOGZSA-N -1 3 353.769 3.021 20 0 FGADHM COc1ccc(C=C2C(=O)Nc3cc(Cl)ccc32)cc1-c1nn[n-]n1 ZINC000737082587 599150922 /nfs/dbraw/zinc/15/09/22/599150922.db2.gz JGNABLQRSNINJL-WUXMJOGZSA-N -1 3 353.769 3.021 20 0 FGADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCCC2)[C@@H]1Cc2ccccc21 ZINC000738211693 599178921 /nfs/dbraw/zinc/17/89/21/599178921.db2.gz SPEVOONVOLQVDA-CQSZACIVSA-N -1 3 365.462 3.476 20 0 FGADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCCC2)[C@@H]1Cc2ccccc21 ZINC000738211693 599178922 /nfs/dbraw/zinc/17/89/22/599178922.db2.gz SPEVOONVOLQVDA-CQSZACIVSA-N -1 3 365.462 3.476 20 0 FGADHM CCCCc1ccc(C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000821077780 599180749 /nfs/dbraw/zinc/18/07/49/599180749.db2.gz SSNBYZGWPPYZAX-UHFFFAOYSA-N -1 3 353.401 3.278 20 0 FGADHM CCCCc1ccc(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000821077780 599180750 /nfs/dbraw/zinc/18/07/50/599180750.db2.gz SSNBYZGWPPYZAX-UHFFFAOYSA-N -1 3 353.401 3.278 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cnc2ccsc2c1 ZINC000738151932 599181080 /nfs/dbraw/zinc/18/10/80/599181080.db2.gz KZLDUAKKQDPVGY-UHFFFAOYSA-N -1 3 356.798 3.382 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cnc2ccsc2c1 ZINC000738151932 599181082 /nfs/dbraw/zinc/18/10/82/599181082.db2.gz KZLDUAKKQDPVGY-UHFFFAOYSA-N -1 3 356.798 3.382 20 0 FGADHM C[C@H](NC(=O)N1CCC(C(C)(C)C)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736112133 599183036 /nfs/dbraw/zinc/18/30/36/599183036.db2.gz QDTQIMORYIBBHS-ZDUSSCGKSA-N -1 3 356.474 3.395 20 0 FGADHM C[C@H](NC(=O)N1CCC(C(C)(C)C)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736112133 599183038 /nfs/dbraw/zinc/18/30/38/599183038.db2.gz QDTQIMORYIBBHS-ZDUSSCGKSA-N -1 3 356.474 3.395 20 0 FGADHM CO[C@@H](C)C(=O)N(Cc1ccccc1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000736958043 599188866 /nfs/dbraw/zinc/18/88/66/599188866.db2.gz MQWCNVZBWIIJSK-LBPRGKRZSA-N -1 3 371.828 3.088 20 0 FGADHM CO[C@@H](C)C(=O)N(Cc1ccccc1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000736958043 599188868 /nfs/dbraw/zinc/18/88/68/599188868.db2.gz MQWCNVZBWIIJSK-LBPRGKRZSA-N -1 3 371.828 3.088 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H]1CCSc2ccccc21 ZINC000737292111 599187088 /nfs/dbraw/zinc/18/70/88/599187088.db2.gz SADDZHJPKADWSM-AWEZNQCLSA-N -1 3 351.435 3.393 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H]1CCSc2ccccc21 ZINC000737292111 599187090 /nfs/dbraw/zinc/18/70/90/599187090.db2.gz SADDZHJPKADWSM-AWEZNQCLSA-N -1 3 351.435 3.393 20 0 FGADHM Cc1cc(F)cc2[nH]c(C(=O)N[C@H](C)c3ccc(-c4nnn[n-]4)cc3)cc21 ZINC000737262314 599199964 /nfs/dbraw/zinc/19/99/64/599199964.db2.gz FBHXVOCCJBJNHO-LLVKDONJSA-N -1 3 364.384 3.287 20 0 FGADHM Cc1cc(F)cc2[nH]c(C(=O)N[C@H](C)c3ccc(-c4nn[n-]n4)cc3)cc21 ZINC000737262314 599199966 /nfs/dbraw/zinc/19/99/66/599199966.db2.gz FBHXVOCCJBJNHO-LLVKDONJSA-N -1 3 364.384 3.287 20 0 FGADHM COCCN(C(=O)C[C@@H]1CCCC[C@@H]1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736989538 599206270 /nfs/dbraw/zinc/20/62/70/599206270.db2.gz VLYBGBNUWOWQBS-HOCLYGCPSA-N -1 3 357.458 3.063 20 0 FGADHM COCCN(C(=O)C[C@@H]1CCCC[C@@H]1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736989538 599206273 /nfs/dbraw/zinc/20/62/73/599206273.db2.gz VLYBGBNUWOWQBS-HOCLYGCPSA-N -1 3 357.458 3.063 20 0 FGADHM C[C@H]1CN(C(=O)Cc2ccc(-c3nnn[n-]3)cc2)CC[C@H]1c1ccccc1 ZINC000736281170 599222548 /nfs/dbraw/zinc/22/25/48/599222548.db2.gz SFCLSHYRCGXBCG-HNAYVOBHSA-N -1 3 361.449 3.061 20 0 FGADHM C[C@H]1CN(C(=O)Cc2ccc(-c3nn[n-]n3)cc2)CC[C@H]1c1ccccc1 ZINC000736281170 599222551 /nfs/dbraw/zinc/22/25/51/599222551.db2.gz SFCLSHYRCGXBCG-HNAYVOBHSA-N -1 3 361.449 3.061 20 0 FGADHM C[C@@H](SCc1nc(CC(F)(F)F)no1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820548515 599222698 /nfs/dbraw/zinc/22/26/98/599222698.db2.gz BBJXTFKEFCTNLP-MRVPVSSYSA-N -1 3 370.360 3.349 20 0 FGADHM C[C@@H](SCc1nc(CC(F)(F)F)no1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820548515 599222700 /nfs/dbraw/zinc/22/27/00/599222700.db2.gz BBJXTFKEFCTNLP-MRVPVSSYSA-N -1 3 370.360 3.349 20 0 FGADHM CC[C@H]1CCCN(C(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736398413 599224123 /nfs/dbraw/zinc/22/41/23/599224123.db2.gz ABXCKPWDFMLFAF-INIZCTEOSA-N -1 3 371.485 3.455 20 0 FGADHM CC[C@H]1CCCN(C(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736398413 599224126 /nfs/dbraw/zinc/22/41/26/599224126.db2.gz ABXCKPWDFMLFAF-INIZCTEOSA-N -1 3 371.485 3.455 20 0 FGADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)N1CCC[C@@H]2CCC[C@@H]21 ZINC000737832795 599225201 /nfs/dbraw/zinc/22/52/01/599225201.db2.gz MDGWEXDDSSVMMK-YJBOKZPZSA-N -1 3 369.469 3.207 20 0 FGADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)N1CCC[C@@H]2CCC[C@@H]21 ZINC000737832795 599225204 /nfs/dbraw/zinc/22/52/04/599225204.db2.gz MDGWEXDDSSVMMK-YJBOKZPZSA-N -1 3 369.469 3.207 20 0 FGADHM COc1ccc(Cl)c(NC(=S)N(C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000821823832 599225833 /nfs/dbraw/zinc/22/58/33/599225833.db2.gz DFSRQIOSVNFASL-UHFFFAOYSA-N -1 3 374.857 3.362 20 0 FGADHM COc1ccc(Cl)c(NC(=S)N(C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000821823832 599225836 /nfs/dbraw/zinc/22/58/36/599225836.db2.gz DFSRQIOSVNFASL-UHFFFAOYSA-N -1 3 374.857 3.362 20 0 FGADHM COc1ccc(Cl)c(NC(=S)Nc2cccc(-c3nnn[n-]3)c2)c1 ZINC000821824961 599225935 /nfs/dbraw/zinc/22/59/35/599225935.db2.gz RODZOZOSEVYIJD-UHFFFAOYSA-N -1 3 360.830 3.338 20 0 FGADHM COc1ccc(Cl)c(NC(=S)Nc2cccc(-c3nn[n-]n3)c2)c1 ZINC000821824961 599225936 /nfs/dbraw/zinc/22/59/36/599225936.db2.gz RODZOZOSEVYIJD-UHFFFAOYSA-N -1 3 360.830 3.338 20 0 FGADHM CC(C)NC(=S)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000820137179 599230581 /nfs/dbraw/zinc/23/05/81/599230581.db2.gz HRGXWHLMMPHNFY-UHFFFAOYSA-N -1 3 372.429 3.493 20 0 FGADHM CC(C)NC(=S)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000820137179 599230583 /nfs/dbraw/zinc/23/05/83/599230583.db2.gz HRGXWHLMMPHNFY-UHFFFAOYSA-N -1 3 372.429 3.493 20 0 FGADHM C[C@@H]1CN(C(=S)Nc2ccccc2-c2nnn[n-]2)[C@H]1c1ccccc1 ZINC000820743725 599230673 /nfs/dbraw/zinc/23/06/73/599230673.db2.gz VBJVZAXSIFTTNW-MLGOLLRUSA-N -1 3 350.451 3.257 20 0 FGADHM C[C@@H]1CN(C(=S)Nc2ccccc2-c2nn[n-]n2)[C@H]1c1ccccc1 ZINC000820743725 599230676 /nfs/dbraw/zinc/23/06/76/599230676.db2.gz VBJVZAXSIFTTNW-MLGOLLRUSA-N -1 3 350.451 3.257 20 0 FGADHM CC(C)(CNC(=O)Nc1ccc(-c2nnn[n-]2)cc1)Cc1ccccc1 ZINC000735670392 599238940 /nfs/dbraw/zinc/23/89/40/599238940.db2.gz ORMQHRXOBPMEIA-UHFFFAOYSA-N -1 3 350.426 3.257 20 0 FGADHM CC(C)(CNC(=O)Nc1ccc(-c2nn[n-]n2)cc1)Cc1ccccc1 ZINC000735670392 599238941 /nfs/dbraw/zinc/23/89/41/599238941.db2.gz ORMQHRXOBPMEIA-UHFFFAOYSA-N -1 3 350.426 3.257 20 0 FGADHM Cc1c(NC(=O)c2cccc(Br)c2)cccc1-c1nnn[n-]1 ZINC000822108955 607270711 /nfs/dbraw/zinc/27/07/11/607270711.db2.gz NKUDNFMOFUUXJA-UHFFFAOYSA-N -1 3 358.199 3.190 20 0 FGADHM Cc1c(NC(=O)c2cccc(Br)c2)cccc1-c1nn[n-]n1 ZINC000822108955 607270712 /nfs/dbraw/zinc/27/07/12/607270712.db2.gz NKUDNFMOFUUXJA-UHFFFAOYSA-N -1 3 358.199 3.190 20 0 FGADHM Cc1c(NC(=O)Cc2ccccc2Br)cccc1-c1nnn[n-]1 ZINC000822076278 607269152 /nfs/dbraw/zinc/26/91/52/607269152.db2.gz NEZVCDLBCPIZAU-UHFFFAOYSA-N -1 3 372.226 3.119 20 0 FGADHM Cc1c(NC(=O)Cc2ccccc2Br)cccc1-c1nn[n-]n1 ZINC000822076278 607269153 /nfs/dbraw/zinc/26/91/53/607269153.db2.gz NEZVCDLBCPIZAU-UHFFFAOYSA-N -1 3 372.226 3.119 20 0 FGADHM CO[C@H](CNC(=O)Nc1cccc(-c2nnn[n-]2)c1)c1cccc(Cl)c1 ZINC000821676930 599246841 /nfs/dbraw/zinc/24/68/41/599246841.db2.gz KCFVEHYWENOOOX-OAHLLOKOSA-N -1 3 372.816 3.029 20 0 FGADHM CO[C@H](CNC(=O)Nc1cccc(-c2nn[n-]n2)c1)c1cccc(Cl)c1 ZINC000821676930 599246844 /nfs/dbraw/zinc/24/68/44/599246844.db2.gz KCFVEHYWENOOOX-OAHLLOKOSA-N -1 3 372.816 3.029 20 0 FGADHM O=C(/C=C\C1CCCCC1)NCCSCc1ccccc1-c1nnn[n-]1 ZINC000737798904 599247368 /nfs/dbraw/zinc/24/73/68/599247368.db2.gz VKMSAKVLRCZVRY-KHPPLWFESA-N -1 3 371.510 3.353 20 0 FGADHM O=C(/C=C\C1CCCCC1)NCCSCc1ccccc1-c1nn[n-]n1 ZINC000737798904 599247370 /nfs/dbraw/zinc/24/73/70/599247370.db2.gz VKMSAKVLRCZVRY-KHPPLWFESA-N -1 3 371.510 3.353 20 0 FGADHM CC(C)c1cccc(NC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)c1 ZINC000820198204 599248833 /nfs/dbraw/zinc/24/88/33/599248833.db2.gz SJOHUQYZTWVLMI-UHFFFAOYSA-N -1 3 354.389 3.451 20 0 FGADHM CC(C)c1cccc(NC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC000820198204 599248835 /nfs/dbraw/zinc/24/88/35/599248835.db2.gz SJOHUQYZTWVLMI-UHFFFAOYSA-N -1 3 354.389 3.451 20 0 FGADHM CCCOc1ccccc1NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000821139433 599250011 /nfs/dbraw/zinc/25/00/11/599250011.db2.gz YUYHFIQCMNMHSG-UHFFFAOYSA-N -1 3 370.388 3.116 20 0 FGADHM CCCOc1ccccc1NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000821139433 599250014 /nfs/dbraw/zinc/25/00/14/599250014.db2.gz YUYHFIQCMNMHSG-UHFFFAOYSA-N -1 3 370.388 3.116 20 0 FGADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)Nc1cccc(Cl)c1F ZINC000823237843 599250860 /nfs/dbraw/zinc/25/08/60/599250860.db2.gz CSTCNCQRRZURTD-UHFFFAOYSA-N -1 3 364.743 3.120 20 0 FGADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)Nc1cccc(Cl)c1F ZINC000823237843 599250863 /nfs/dbraw/zinc/25/08/63/599250863.db2.gz CSTCNCQRRZURTD-UHFFFAOYSA-N -1 3 364.743 3.120 20 0 FGADHM Cc1nc(C(C)(C)NC(=O)Nc2cccc(-c3nnn[n-]3)c2C)sc1C ZINC000822422634 607281057 /nfs/dbraw/zinc/28/10/57/607281057.db2.gz ARXCKTSMTOGHRE-UHFFFAOYSA-N -1 3 371.470 3.305 20 0 FGADHM Cc1nc(C(C)(C)NC(=O)Nc2cccc(-c3nn[n-]n3)c2C)sc1C ZINC000822422634 607281058 /nfs/dbraw/zinc/28/10/58/607281058.db2.gz ARXCKTSMTOGHRE-UHFFFAOYSA-N -1 3 371.470 3.305 20 0 FGADHM Cc1cc(NC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)ccc1N(C)C ZINC000822208569 599253407 /nfs/dbraw/zinc/25/34/07/599253407.db2.gz YCGGFRNQWXUHDX-CYBMUJFWSA-N -1 3 365.441 3.124 20 0 FGADHM Cc1cc(NC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)ccc1N(C)C ZINC000822208569 599253409 /nfs/dbraw/zinc/25/34/09/599253409.db2.gz YCGGFRNQWXUHDX-CYBMUJFWSA-N -1 3 365.441 3.124 20 0 FGADHM C[C@H](NC(=O)Nc1cccc(OC(F)F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820380598 599253902 /nfs/dbraw/zinc/25/39/02/599253902.db2.gz XEVZCXATHQLOTK-JTQLQIEISA-N -1 3 374.351 3.351 20 0 FGADHM C[C@H](NC(=O)Nc1cccc(OC(F)F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820380598 599253903 /nfs/dbraw/zinc/25/39/03/599253903.db2.gz XEVZCXATHQLOTK-JTQLQIEISA-N -1 3 374.351 3.351 20 0 FGADHM Cc1c(NC(=O)NC2CC(C)(c3ccccc3)C2)cccc1-c1nnn[n-]1 ZINC000822091048 607283333 /nfs/dbraw/zinc/28/33/33/607283333.db2.gz NCYYXQPSVNMGLX-UHFFFAOYSA-N -1 3 362.437 3.417 20 0 FGADHM Cc1c(NC(=O)NC2CC(C)(c3ccccc3)C2)cccc1-c1nn[n-]n1 ZINC000822091048 607283334 /nfs/dbraw/zinc/28/33/34/607283334.db2.gz NCYYXQPSVNMGLX-UHFFFAOYSA-N -1 3 362.437 3.417 20 0 FGADHM CCS[C@@H]1CCC[C@@H](NC(=O)Nc2cccc(-c3nnn[n-]3)c2C)C1 ZINC000821456632 607285532 /nfs/dbraw/zinc/28/55/32/607285532.db2.gz RIPXRWHDRHYXLU-CHWSQXEVSA-N -1 3 360.487 3.361 20 0 FGADHM CCS[C@@H]1CCC[C@@H](NC(=O)Nc2cccc(-c3nn[n-]n3)c2C)C1 ZINC000821456632 607285533 /nfs/dbraw/zinc/28/55/33/607285533.db2.gz RIPXRWHDRHYXLU-CHWSQXEVSA-N -1 3 360.487 3.361 20 0 FGADHM COc1ccc(CN(C)c2c(-c3nnn[n-]3)cnc3ccccc32)cc1F ZINC000737090308 599259097 /nfs/dbraw/zinc/25/90/97/599259097.db2.gz FNCXTODEDYEENC-UHFFFAOYSA-N -1 3 364.384 3.199 20 0 FGADHM COc1ccc(CN(C)c2c(-c3nn[n-]n3)cnc3ccccc32)cc1F ZINC000737090308 599259099 /nfs/dbraw/zinc/25/90/99/599259099.db2.gz FNCXTODEDYEENC-UHFFFAOYSA-N -1 3 364.384 3.199 20 0 FGADHM Cc1c(NC(=O)[C@H](C)Oc2ccccc2Cl)cccc1-c1nnn[n-]1 ZINC000822061542 607297371 /nfs/dbraw/zinc/29/73/71/607297371.db2.gz PQSSZLJOBKNLKF-NSHDSACASA-N -1 3 357.801 3.235 20 0 FGADHM Cc1c(NC(=O)[C@H](C)Oc2ccccc2Cl)cccc1-c1nn[n-]n1 ZINC000822061542 607297372 /nfs/dbraw/zinc/29/73/72/607297372.db2.gz PQSSZLJOBKNLKF-NSHDSACASA-N -1 3 357.801 3.235 20 0 FGADHM Cc1c(NC(=O)c2ccccc2Br)cccc1-c1nnn[n-]1 ZINC000822115360 607297650 /nfs/dbraw/zinc/29/76/50/607297650.db2.gz DHPWWDXVKLRLPD-UHFFFAOYSA-N -1 3 358.199 3.190 20 0 FGADHM Cc1c(NC(=O)c2ccccc2Br)cccc1-c1nn[n-]n1 ZINC000822115360 607297651 /nfs/dbraw/zinc/29/76/51/607297651.db2.gz DHPWWDXVKLRLPD-UHFFFAOYSA-N -1 3 358.199 3.190 20 0 FGADHM CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000819906753 607298612 /nfs/dbraw/zinc/29/86/12/607298612.db2.gz JXAVFQWQDZPDEM-WCQYABFASA-N -1 3 362.865 3.250 20 0 FGADHM CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000819906753 607298613 /nfs/dbraw/zinc/29/86/13/607298613.db2.gz JXAVFQWQDZPDEM-WCQYABFASA-N -1 3 362.865 3.250 20 0 FGADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)NC(C1CCCC1)C1CCCC1 ZINC000737960979 599260514 /nfs/dbraw/zinc/26/05/14/599260514.db2.gz KIQIYMWIFXJMDU-UHFFFAOYSA-N -1 3 353.470 3.274 20 0 FGADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)NC(C1CCCC1)C1CCCC1 ZINC000737960979 599260516 /nfs/dbraw/zinc/26/05/16/599260516.db2.gz KIQIYMWIFXJMDU-UHFFFAOYSA-N -1 3 353.470 3.274 20 0 FGADHM Cc1cc(C)c2c(c1)N(C(=O)c1ncc(-c3nnn[n-]3)cc1Cl)CCC2 ZINC000822195538 607300685 /nfs/dbraw/zinc/30/06/85/607300685.db2.gz VFTGXAINCLBMQZ-UHFFFAOYSA-N -1 3 368.828 3.125 20 0 FGADHM Cc1cc(C)c2c(c1)N(C(=O)c1ncc(-c3nn[n-]n3)cc1Cl)CCC2 ZINC000822195538 607300686 /nfs/dbraw/zinc/30/06/86/607300686.db2.gz VFTGXAINCLBMQZ-UHFFFAOYSA-N -1 3 368.828 3.125 20 0 FGADHM Cc1cc(C)cc([C@H](C)NC(=O)c2ncc(-c3nnn[n-]3)cc2Cl)c1 ZINC000822196407 607300898 /nfs/dbraw/zinc/30/08/98/607300898.db2.gz IFVUEBREKOJCIV-NSHDSACASA-N -1 3 356.817 3.023 20 0 FGADHM Cc1cc(C)cc([C@H](C)NC(=O)c2ncc(-c3nn[n-]n3)cc2Cl)c1 ZINC000822196407 607300899 /nfs/dbraw/zinc/30/08/99/607300899.db2.gz IFVUEBREKOJCIV-NSHDSACASA-N -1 3 356.817 3.023 20 0 FGADHM O[C@@H]1CCCC[C@H]1CCCNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000823705586 607306540 /nfs/dbraw/zinc/30/65/40/607306540.db2.gz HITJYZLWSLCXCD-CMPLNLGQSA-N -1 3 370.379 3.024 20 0 FGADHM O[C@@H]1CCCC[C@H]1CCCNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000823705586 607306541 /nfs/dbraw/zinc/30/65/41/607306541.db2.gz HITJYZLWSLCXCD-CMPLNLGQSA-N -1 3 370.379 3.024 20 0 FGADHM C[C@H]1CN(c2ccc(NCc3ccc(-c4nnn[n-]4)s3)cc2)C[C@H](C)O1 ZINC000820774499 607314857 /nfs/dbraw/zinc/31/48/57/607314857.db2.gz DRZZUNZZKUVCCF-STQMWFEESA-N -1 3 370.482 3.154 20 0 FGADHM C[C@@H]1CN(c2ccc(NCc3ccc(-c4nnn[n-]4)s3)cc2)C[C@H](C)O1 ZINC000820774497 607315012 /nfs/dbraw/zinc/31/50/12/607315012.db2.gz DRZZUNZZKUVCCF-BETUJISGSA-N -1 3 370.482 3.154 20 0 FGADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OCc1ccc(F)c(F)c1 ZINC000737023792 599268442 /nfs/dbraw/zinc/26/84/42/599268442.db2.gz DRLJEGAYSNTLCL-UHFFFAOYSA-N -1 3 352.728 3.386 20 0 FGADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OCc1ccc(F)c(F)c1 ZINC000737023792 599268444 /nfs/dbraw/zinc/26/84/44/599268444.db2.gz DRLJEGAYSNTLCL-UHFFFAOYSA-N -1 3 352.728 3.386 20 0 FGADHM O=C(C=Cc1ccnc2ccccc12)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000737808402 599278571 /nfs/dbraw/zinc/27/85/71/599278571.db2.gz SBQKCZSJIZDFSI-MDZDMXLPSA-N -1 3 357.373 3.172 20 0 FGADHM O=C(C=Cc1ccnc2ccccc12)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000737808402 599278572 /nfs/dbraw/zinc/27/85/72/599278572.db2.gz SBQKCZSJIZDFSI-MDZDMXLPSA-N -1 3 357.373 3.172 20 0 FGADHM O=C(C=Cc1ccnc2ccccc12)OCc1ccccc1-c1nnn[n-]1 ZINC000737805948 599278804 /nfs/dbraw/zinc/27/88/04/599278804.db2.gz JNHOVURAZLWBAL-MDZDMXLPSA-N -1 3 357.373 3.172 20 0 FGADHM O=C(C=Cc1ccnc2ccccc12)OCc1ccccc1-c1nn[n-]n1 ZINC000737805948 599278807 /nfs/dbraw/zinc/27/88/07/599278807.db2.gz JNHOVURAZLWBAL-MDZDMXLPSA-N -1 3 357.373 3.172 20 0 FGADHM Cc1ccc(CC[C@H](C)NC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)o1 ZINC000822235087 599279189 /nfs/dbraw/zinc/27/91/89/599279189.db2.gz RKVYTSNZSNYGKM-JTQLQIEISA-N -1 3 358.377 3.050 20 0 FGADHM Cc1ccc(CC[C@H](C)NC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)o1 ZINC000822235087 599279191 /nfs/dbraw/zinc/27/91/91/599279191.db2.gz RKVYTSNZSNYGKM-JTQLQIEISA-N -1 3 358.377 3.050 20 0 FGADHM CCCN(C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C1CC1 ZINC000821082474 599286315 /nfs/dbraw/zinc/28/63/15/599286315.db2.gz LFTSBZNJKIRJNX-UHFFFAOYSA-N -1 3 354.336 3.292 20 0 FGADHM CCCN(C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C1CC1 ZINC000821082474 599286317 /nfs/dbraw/zinc/28/63/17/599286317.db2.gz LFTSBZNJKIRJNX-UHFFFAOYSA-N -1 3 354.336 3.292 20 0 FGADHM C[C@@H](C1CC1)N(C)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820220896 599288372 /nfs/dbraw/zinc/28/83/72/599288372.db2.gz YYPWLPLQKVZFDY-QMMMGPOBSA-N -1 3 354.336 3.148 20 0 FGADHM C[C@@H](C1CC1)N(C)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820220896 599288373 /nfs/dbraw/zinc/28/83/73/599288373.db2.gz YYPWLPLQKVZFDY-QMMMGPOBSA-N -1 3 354.336 3.148 20 0 FGADHM Cc1nc2cc(F)ccc2cc1C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000822458107 607321474 /nfs/dbraw/zinc/32/14/74/607321474.db2.gz CSKMGEMWJGLBMH-UHFFFAOYSA-N -1 3 362.368 3.423 20 0 FGADHM Cc1nc2cc(F)ccc2cc1C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000822458107 607321475 /nfs/dbraw/zinc/32/14/75/607321475.db2.gz CSKMGEMWJGLBMH-UHFFFAOYSA-N -1 3 362.368 3.423 20 0 FGADHM Cc1cn(CC(=O)N[C@H](c2ccccc2)C2CCCC2)cc1-c1nnn[n-]1 ZINC000822384913 607329762 /nfs/dbraw/zinc/32/97/62/607329762.db2.gz UWZZBXBCHDXEIO-LJQANCHMSA-N -1 3 364.453 3.024 20 0 FGADHM Cc1cn(CC(=O)N[C@H](c2ccccc2)C2CCCC2)cc1-c1nn[n-]n1 ZINC000822384913 607329763 /nfs/dbraw/zinc/32/97/63/607329763.db2.gz UWZZBXBCHDXEIO-LJQANCHMSA-N -1 3 364.453 3.024 20 0 FGADHM O=C(Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)c1ccccn1 ZINC000738182971 598231126 /nfs/dbraw/zinc/23/11/26/598231126.db2.gz GHBQIXJDJWFIQT-UHFFFAOYSA-N -1 3 358.361 3.306 20 0 FGADHM CCO[C@H](C)C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736615220 598231667 /nfs/dbraw/zinc/23/16/67/598231667.db2.gz JRLZORRHUDDCFC-GFCCVEGCSA-N -1 3 353.382 3.023 20 0 FGADHM CCO[C@H](C)C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736615220 598231669 /nfs/dbraw/zinc/23/16/69/598231669.db2.gz JRLZORRHUDDCFC-GFCCVEGCSA-N -1 3 353.382 3.023 20 0 FGADHM CCC[C@H](NC(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1ccccn1 ZINC000736430519 598234021 /nfs/dbraw/zinc/23/40/21/598234021.db2.gz QVVIJIAKATWMGD-INIZCTEOSA-N -1 3 368.466 3.011 20 0 FGADHM CCC[C@H](NC(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1ccccn1 ZINC000736430519 598234023 /nfs/dbraw/zinc/23/40/23/598234023.db2.gz QVVIJIAKATWMGD-INIZCTEOSA-N -1 3 368.466 3.011 20 0 FGADHM CN(Cc1ccccc1Br)c1ccc(-c2nn[n-]n2)cc1F ZINC000736828814 598234430 /nfs/dbraw/zinc/23/44/30/598234430.db2.gz TUXWMZUDDWNUNW-UHFFFAOYSA-N -1 3 362.206 3.405 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1NCCc1ccc(Br)s1 ZINC000737641214 598236079 /nfs/dbraw/zinc/23/60/79/598236079.db2.gz VGZPXRYFQDEBIO-UHFFFAOYSA-N -1 3 368.235 3.484 20 0 FGADHM CCC[C@@H](C)CC(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736424358 598237817 /nfs/dbraw/zinc/23/78/17/598237817.db2.gz QPARNRCBMANNLJ-CQSZACIVSA-N -1 3 357.458 3.063 20 0 FGADHM CCC[C@@H](C)CC(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736424358 598237818 /nfs/dbraw/zinc/23/78/18/598237818.db2.gz QPARNRCBMANNLJ-CQSZACIVSA-N -1 3 357.458 3.063 20 0 FGADHM COc1cc([C@H](C)Nc2ccc(-c3nn[n-]n3)cc2F)cc(OC)c1OC ZINC000737039738 598238319 /nfs/dbraw/zinc/23/83/19/598238319.db2.gz BTYIYYVCCNDLST-JTQLQIEISA-N -1 3 373.388 3.205 20 0 FGADHM CCOCCOCc1cccc(Nc2cccc(F)c2-c2nnn[n-]2)c1 ZINC000736625843 598239478 /nfs/dbraw/zinc/23/94/78/598239478.db2.gz NAKAGPNLIHFXEE-UHFFFAOYSA-N -1 3 357.389 3.303 20 0 FGADHM CCOCCOCc1cccc(Nc2cccc(F)c2-c2nn[n-]n2)c1 ZINC000736625843 598239479 /nfs/dbraw/zinc/23/94/79/598239479.db2.gz NAKAGPNLIHFXEE-UHFFFAOYSA-N -1 3 357.389 3.303 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1N1CCC(COc2ccccc2)CC1 ZINC000737640268 598240877 /nfs/dbraw/zinc/24/08/77/598240877.db2.gz MHWSCKNSGPPMRV-UHFFFAOYSA-N -1 3 353.401 3.301 20 0 FGADHM C[C@@H](CCc1ccc2c(c1)OCO2)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000735986067 598242467 /nfs/dbraw/zinc/24/24/67/598242467.db2.gz KVWPLVBNEYNQPC-NSHDSACASA-N -1 3 355.373 3.168 20 0 FGADHM CCc1csc([C@@H]2CCCN(c3cccc(F)c3-c3nnn[n-]3)C2)n1 ZINC000736701061 598243843 /nfs/dbraw/zinc/24/38/43/598243843.db2.gz YDFHKMAMEQOICN-LLVKDONJSA-N -1 3 358.446 3.409 20 0 FGADHM CCc1csc([C@@H]2CCCN(c3cccc(F)c3-c3nn[n-]n3)C2)n1 ZINC000736701061 598243844 /nfs/dbraw/zinc/24/38/44/598243844.db2.gz YDFHKMAMEQOICN-LLVKDONJSA-N -1 3 358.446 3.409 20 0 FGADHM Cc1nc(C2(NCc3cc(-c4nnn[n-]4)ccc3F)CCCCCC2)no1 ZINC000737474725 598249836 /nfs/dbraw/zinc/24/98/36/598249836.db2.gz RIIVIOMKVOKLED-UHFFFAOYSA-N -1 3 371.420 3.037 20 0 FGADHM Cc1nc(C2(NCc3cc(-c4nn[n-]n4)ccc3F)CCCCCC2)no1 ZINC000737474725 598249837 /nfs/dbraw/zinc/24/98/37/598249837.db2.gz RIIVIOMKVOKLED-UHFFFAOYSA-N -1 3 371.420 3.037 20 0 FGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N1CC[C@H](c2cccc(F)c2)C1 ZINC000738177764 598256530 /nfs/dbraw/zinc/25/65/30/598256530.db2.gz DTPACJNDCBZWIL-AWEZNQCLSA-N -1 3 352.373 3.027 20 0 FGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N1CC[C@H](c2cccc(F)c2)C1 ZINC000738177764 598256531 /nfs/dbraw/zinc/25/65/31/598256531.db2.gz DTPACJNDCBZWIL-AWEZNQCLSA-N -1 3 352.373 3.027 20 0 FGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N[C@H]1C[C@H]1c1ccccc1 ZINC000735660787 598278981 /nfs/dbraw/zinc/27/89/81/598278981.db2.gz PDFPXBXSWIWEIQ-GJZGRUSLSA-N -1 3 365.441 3.101 20 0 FGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N[C@H]1C[C@H]1c1ccccc1 ZINC000735660787 598278982 /nfs/dbraw/zinc/27/89/82/598278982.db2.gz PDFPXBXSWIWEIQ-GJZGRUSLSA-N -1 3 365.441 3.101 20 0 FGADHM C[C@H](c1cccnc1)N(C)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736205784 598280976 /nfs/dbraw/zinc/28/09/76/598280976.db2.gz ZDCGJQAPETZSSE-GFCCVEGCSA-N -1 3 368.445 3.043 20 0 FGADHM C[C@H](c1cccnc1)N(C)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736205784 598280978 /nfs/dbraw/zinc/28/09/78/598280978.db2.gz ZDCGJQAPETZSSE-GFCCVEGCSA-N -1 3 368.445 3.043 20 0 FGADHM CC(C)Cc1ccc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000735849714 598304274 /nfs/dbraw/zinc/30/42/74/598304274.db2.gz LGNUGPJEPHOEFP-UHFFFAOYSA-N -1 3 353.401 3.134 20 0 FGADHM CC(C)Cc1ccc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000735849714 598304276 /nfs/dbraw/zinc/30/42/76/598304276.db2.gz LGNUGPJEPHOEFP-UHFFFAOYSA-N -1 3 353.401 3.134 20 0 FGADHM CC[C@H](C)[C@@H](C(=O)NCc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000736320502 598304504 /nfs/dbraw/zinc/30/45/04/598304504.db2.gz UXVCBLYMZNXOIR-SCLBCKFNSA-N -1 3 367.428 3.452 20 0 FGADHM CC[C@H](C)[C@@H](C(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000736320502 598304505 /nfs/dbraw/zinc/30/45/05/598304505.db2.gz UXVCBLYMZNXOIR-SCLBCKFNSA-N -1 3 367.428 3.452 20 0 FGADHM C[C@@H]1CCc2sc(C(=O)NCc3ccc(-c4nnn[n-]4)cc3F)cc2C1 ZINC000736280218 598304657 /nfs/dbraw/zinc/30/46/57/598304657.db2.gz ORBPMHCZMGXMMV-SNVBAGLBSA-N -1 3 371.441 3.122 20 0 FGADHM C[C@@H]1CCc2sc(C(=O)NCc3ccc(-c4nn[n-]n4)cc3F)cc2C1 ZINC000736280218 598304658 /nfs/dbraw/zinc/30/46/58/598304658.db2.gz ORBPMHCZMGXMMV-SNVBAGLBSA-N -1 3 371.441 3.122 20 0 FGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)c1cc2ccc(Cl)cc2[nH]1 ZINC000738103124 598309598 /nfs/dbraw/zinc/30/95/98/598309598.db2.gz ZGTVLHPKPSBCCS-UHFFFAOYSA-N -1 3 370.775 3.071 20 0 FGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)c1cc2ccc(Cl)cc2[nH]1 ZINC000738103124 598309600 /nfs/dbraw/zinc/30/96/00/598309600.db2.gz ZGTVLHPKPSBCCS-UHFFFAOYSA-N -1 3 370.775 3.071 20 0 FGADHM c1ccc2[nH]c(CSCCCOc3ccc(-c4nn[n-]n4)cc3)nc2c1 ZINC000738433214 598314563 /nfs/dbraw/zinc/31/45/63/598314563.db2.gz NWRBVTCMNPAQHL-UHFFFAOYSA-N -1 3 366.450 3.445 20 0 FGADHM C[C@H]1C[C@H](C)CN(C(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000736226161 598316913 /nfs/dbraw/zinc/31/69/13/598316913.db2.gz VVCTWJHYMMSIOX-UWVGGRQHSA-N -1 3 350.879 3.195 20 0 FGADHM C[C@H]1C[C@H](C)CN(C(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000736226161 598316915 /nfs/dbraw/zinc/31/69/15/598316915.db2.gz VVCTWJHYMMSIOX-UWVGGRQHSA-N -1 3 350.879 3.195 20 0 FGADHM CCN(Cc1ccncc1)C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736555291 598316920 /nfs/dbraw/zinc/31/69/20/598316920.db2.gz DRMPVFVUWAEHJX-UHFFFAOYSA-N -1 3 373.873 3.134 20 0 FGADHM CCN(Cc1ccncc1)C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736555291 598316922 /nfs/dbraw/zinc/31/69/22/598316922.db2.gz DRMPVFVUWAEHJX-UHFFFAOYSA-N -1 3 373.873 3.134 20 0 FGADHM CC(C)[C@@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000735720187 598317420 /nfs/dbraw/zinc/31/74/20/598317420.db2.gz IQKAGROCSSVLEU-QGZVFWFLSA-N -1 3 368.416 3.202 20 0 FGADHM CC(C)[C@@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000735720187 598317421 /nfs/dbraw/zinc/31/74/21/598317421.db2.gz IQKAGROCSSVLEU-QGZVFWFLSA-N -1 3 368.416 3.202 20 0 FGADHM S=C(NCCc1ccsc1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000738400509 598319701 /nfs/dbraw/zinc/31/97/01/598319701.db2.gz FIJJUMGNBBVHRC-UHFFFAOYSA-N -1 3 364.887 3.111 20 0 FGADHM S=C(NCCc1ccsc1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000738400509 598319703 /nfs/dbraw/zinc/31/97/03/598319703.db2.gz FIJJUMGNBBVHRC-UHFFFAOYSA-N -1 3 364.887 3.111 20 0 FGADHM CC(C)Oc1ccc(NC(=S)NCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735913382 598320159 /nfs/dbraw/zinc/32/01/59/598320159.db2.gz NMUAUNPIALTEPF-UHFFFAOYSA-N -1 3 368.466 3.141 20 0 FGADHM CC(C)Oc1ccc(NC(=S)NCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735913382 598320160 /nfs/dbraw/zinc/32/01/60/598320160.db2.gz NMUAUNPIALTEPF-UHFFFAOYSA-N -1 3 368.466 3.141 20 0 FGADHM C[C@@H](NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cccc(O)c1 ZINC000736128514 598320178 /nfs/dbraw/zinc/32/01/78/598320178.db2.gz XUTXXTQZZDWRPI-SECBINFHSA-N -1 3 374.857 3.273 20 0 FGADHM C[C@@H](NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cccc(O)c1 ZINC000736128514 598320179 /nfs/dbraw/zinc/32/01/79/598320179.db2.gz XUTXXTQZZDWRPI-SECBINFHSA-N -1 3 374.857 3.273 20 0 FGADHM CC(C)CCCNC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000735797710 598326767 /nfs/dbraw/zinc/32/67/67/598326767.db2.gz SBCQFMQSKQEXAY-UHFFFAOYSA-N -1 3 369.425 3.205 20 0 FGADHM CC(C)CCCNC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000735797710 598326768 /nfs/dbraw/zinc/32/67/68/598326768.db2.gz SBCQFMQSKQEXAY-UHFFFAOYSA-N -1 3 369.425 3.205 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc(C(F)F)cc1 ZINC000736635030 598327568 /nfs/dbraw/zinc/32/75/68/598327568.db2.gz RAVJTPZNQRNZMU-UHFFFAOYSA-N -1 3 359.336 3.455 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(C(F)F)cc1 ZINC000736635030 598327570 /nfs/dbraw/zinc/32/75/70/598327570.db2.gz RAVJTPZNQRNZMU-UHFFFAOYSA-N -1 3 359.336 3.455 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)Nc1ccc(SC(F)F)nc1 ZINC000822935455 607350397 /nfs/dbraw/zinc/35/03/97/607350397.db2.gz LMOXQWAFDOTCHH-ALCCZGGFSA-N -1 3 374.376 3.228 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)Nc1ccc(SC(F)F)nc1 ZINC000822935455 607350399 /nfs/dbraw/zinc/35/03/99/607350399.db2.gz LMOXQWAFDOTCHH-ALCCZGGFSA-N -1 3 374.376 3.228 20 0 FGADHM CN(C(=O)[C@@H]1CCCc2sccc21)c1ccc(-c2nnn[n-]2)cc1F ZINC000821569254 607350958 /nfs/dbraw/zinc/35/09/58/607350958.db2.gz CTBSNUJDAHKFMW-GFCCVEGCSA-N -1 3 357.414 3.150 20 0 FGADHM CN(C(=O)[C@@H]1CCCc2sccc21)c1ccc(-c2nn[n-]n2)cc1F ZINC000821569254 607350960 /nfs/dbraw/zinc/35/09/60/607350960.db2.gz CTBSNUJDAHKFMW-GFCCVEGCSA-N -1 3 357.414 3.150 20 0 FGADHM Cc1cccc(N(CC(=O)Nc2cccc(-c3nnn[n-]3)c2)C(C)C)c1 ZINC000737396837 598355151 /nfs/dbraw/zinc/35/51/51/598355151.db2.gz SQNCZYSXZFUHAH-UHFFFAOYSA-N -1 3 350.426 3.029 20 0 FGADHM Cc1cccc(N(CC(=O)Nc2cccc(-c3nn[n-]n3)c2)C(C)C)c1 ZINC000737396837 598355153 /nfs/dbraw/zinc/35/51/53/598355153.db2.gz SQNCZYSXZFUHAH-UHFFFAOYSA-N -1 3 350.426 3.029 20 0 FGADHM CC(C)c1nc(C(=O)OCc2cn3ccccc3c2-c2nnn[n-]2)cs1 ZINC000735939566 598359825 /nfs/dbraw/zinc/35/98/25/598359825.db2.gz KQQNTBNMQZRGCQ-UHFFFAOYSA-N -1 3 368.422 3.056 20 0 FGADHM CC(C)c1nc(C(=O)OCc2cn3ccccc3c2-c2nn[n-]n2)cs1 ZINC000735939566 598359827 /nfs/dbraw/zinc/35/98/27/598359827.db2.gz KQQNTBNMQZRGCQ-UHFFFAOYSA-N -1 3 368.422 3.056 20 0 FGADHM COc1cc2nc(C)sc2cc1NC(=O)c1sccc1-c1nnn[n-]1 ZINC000737055925 598366444 /nfs/dbraw/zinc/36/64/44/598366444.db2.gz RHUWKJRBSHHGBT-UHFFFAOYSA-N -1 3 372.435 3.107 20 0 FGADHM COc1cc2nc(C)sc2cc1NC(=O)c1sccc1-c1nn[n-]n1 ZINC000737055925 598366446 /nfs/dbraw/zinc/36/64/46/598366446.db2.gz RHUWKJRBSHHGBT-UHFFFAOYSA-N -1 3 372.435 3.107 20 0 FGADHM CC(C)c1cccc(N(C)C(=O)CNc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735928093 598383634 /nfs/dbraw/zinc/38/36/34/598383634.db2.gz FGNOJCQIWCARLF-UHFFFAOYSA-N -1 3 350.426 3.065 20 0 FGADHM COc1ccc2oc([C@H](C)Nc3ccc(-c4nnn[n-]4)cn3)c(C)c2c1 ZINC000737120747 598388264 /nfs/dbraw/zinc/38/82/64/598388264.db2.gz UEFXGTYJVPXFNO-NSHDSACASA-N -1 3 350.382 3.498 20 0 FGADHM COc1ccc2oc([C@H](C)Nc3ccc(-c4nn[n-]n4)cn3)c(C)c2c1 ZINC000737120747 598388266 /nfs/dbraw/zinc/38/82/66/598388266.db2.gz UEFXGTYJVPXFNO-NSHDSACASA-N -1 3 350.382 3.498 20 0 FGADHM CCN(CCNc1ncc(-c2nnn[n-]2)cc1Cl)c1ccccc1C ZINC000736537916 598389733 /nfs/dbraw/zinc/38/97/33/598389733.db2.gz YPKVMOLAKWIDLN-UHFFFAOYSA-N -1 3 357.849 3.162 20 0 FGADHM CCN(CCNc1ncc(-c2nn[n-]n2)cc1Cl)c1ccccc1C ZINC000736537916 598389736 /nfs/dbraw/zinc/38/97/36/598389736.db2.gz YPKVMOLAKWIDLN-UHFFFAOYSA-N -1 3 357.849 3.162 20 0 FGADHM CC(C)COc1ccc(CC(=O)Nc2ccccc2-c2nnn[n-]2)cc1 ZINC000735838023 598393534 /nfs/dbraw/zinc/39/35/34/598393534.db2.gz MUUXVPQMWHGCJD-UHFFFAOYSA-N -1 3 351.410 3.083 20 0 FGADHM CC(C)COc1ccc(CC(=O)Nc2ccccc2-c2nn[n-]n2)cc1 ZINC000735838023 598393535 /nfs/dbraw/zinc/39/35/35/598393535.db2.gz MUUXVPQMWHGCJD-UHFFFAOYSA-N -1 3 351.410 3.083 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1OCC(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000737221102 598395034 /nfs/dbraw/zinc/39/50/34/598395034.db2.gz FSUDDENFVBIEJW-GFCCVEGCSA-N -1 3 371.828 3.085 20 0 FGADHM COCCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@H](C(C)(C)C)C2 ZINC000736977567 598417367 /nfs/dbraw/zinc/41/73/67/598417367.db2.gz XQOLSKULCJPHGF-JTQLQIEISA-N -1 3 363.487 3.054 20 0 FGADHM COCCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@H](C(C)(C)C)C2 ZINC000736977567 598417368 /nfs/dbraw/zinc/41/73/68/598417368.db2.gz XQOLSKULCJPHGF-JTQLQIEISA-N -1 3 363.487 3.054 20 0 FGADHM CSc1ccsc1C(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737192205 598431726 /nfs/dbraw/zinc/43/17/26/598431726.db2.gz RJYZQRNCRUQWIR-UHFFFAOYSA-N -1 3 350.400 3.146 20 0 FGADHM CSc1ccsc1C(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737192205 598431728 /nfs/dbraw/zinc/43/17/28/598431728.db2.gz RJYZQRNCRUQWIR-UHFFFAOYSA-N -1 3 350.400 3.146 20 0 FGADHM COc1ccccc1C(C)=CC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737141945 598442826 /nfs/dbraw/zinc/44/28/26/598442826.db2.gz KYQVGIFBBQKJDU-FNDVETGQSA-N -1 3 363.421 3.156 20 0 FGADHM COc1ccccc1C(C)=CC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737141945 598442827 /nfs/dbraw/zinc/44/28/27/598442827.db2.gz KYQVGIFBBQKJDU-FNDVETGQSA-N -1 3 363.421 3.156 20 0 FGADHM Cc1ccc2cccc(NC(=O)C=Cc3ccccc3-c3nnn[n-]3)c2n1 ZINC000737373477 598445647 /nfs/dbraw/zinc/44/56/47/598445647.db2.gz HVZIJDRXUGBILE-VAWYXSNFSA-N -1 3 356.389 3.375 20 0 FGADHM Cc1ccc2cccc(NC(=O)C=Cc3ccccc3-c3nn[n-]n3)c2n1 ZINC000737373477 598445648 /nfs/dbraw/zinc/44/56/48/598445648.db2.gz HVZIJDRXUGBILE-VAWYXSNFSA-N -1 3 356.389 3.375 20 0 FGADHM CN(C(=O)c1ccc(-c2nnn[n-]2)cn1)c1ccccc1-c1ccccc1 ZINC000736749150 598448634 /nfs/dbraw/zinc/44/86/34/598448634.db2.gz MLIGBYKTFLXKQP-UHFFFAOYSA-N -1 3 356.389 3.205 20 0 FGADHM CN(C(=O)c1ccc(-c2nn[n-]n2)cn1)c1ccccc1-c1ccccc1 ZINC000736749150 598448635 /nfs/dbraw/zinc/44/86/35/598448635.db2.gz MLIGBYKTFLXKQP-UHFFFAOYSA-N -1 3 356.389 3.205 20 0 FGADHM CCN(C(=O)c1ccc(-c2nnn[n-]2)cn1)[C@@H](C)c1cc2ccccc2o1 ZINC000736505497 598448649 /nfs/dbraw/zinc/44/86/49/598448649.db2.gz KIKUYAHAIBYKBY-LBPRGKRZSA-N -1 3 362.393 3.231 20 0 FGADHM CCN(C(=O)c1ccc(-c2nn[n-]n2)cn1)[C@@H](C)c1cc2ccccc2o1 ZINC000736505497 598448650 /nfs/dbraw/zinc/44/86/50/598448650.db2.gz KIKUYAHAIBYKBY-LBPRGKRZSA-N -1 3 362.393 3.231 20 0 FGADHM CC(C)(CCc1ccccc1)NC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000735665102 598467660 /nfs/dbraw/zinc/46/76/60/598467660.db2.gz COAVPOPUJIASPO-UHFFFAOYSA-N -1 3 350.426 3.400 20 0 FGADHM CC(C)(CCc1ccccc1)NC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000735665102 598467661 /nfs/dbraw/zinc/46/76/61/598467661.db2.gz COAVPOPUJIASPO-UHFFFAOYSA-N -1 3 350.426 3.400 20 0 FGADHM COc1cccc(NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)c1 ZINC000737139660 598467699 /nfs/dbraw/zinc/46/76/99/598467699.db2.gz NDUXBNIHSWGUIJ-UHFFFAOYSA-N -1 3 364.409 3.072 20 0 FGADHM COc1cccc(NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)c1 ZINC000737139660 598467700 /nfs/dbraw/zinc/46/77/00/598467700.db2.gz NDUXBNIHSWGUIJ-UHFFFAOYSA-N -1 3 364.409 3.072 20 0 FGADHM C[C@@H]1CCC[C@@H](NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)[C@@H]1C ZINC000736257150 598475821 /nfs/dbraw/zinc/47/58/21/598475821.db2.gz BWDVBAGRMDSBFB-HBUWYVDXSA-N -1 3 368.485 3.365 20 0 FGADHM C[C@@H]1CCC[C@@H](NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)[C@@H]1C ZINC000736257150 598475823 /nfs/dbraw/zinc/47/58/23/598475823.db2.gz BWDVBAGRMDSBFB-HBUWYVDXSA-N -1 3 368.485 3.365 20 0 FGADHM Cc1ccccc1CN(C(=O)NCc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000737427031 598478315 /nfs/dbraw/zinc/47/83/15/598478315.db2.gz PKBDMRXBAMGGRK-UHFFFAOYSA-N -1 3 362.437 3.049 20 0 FGADHM Cc1ccccc1CN(C(=O)NCc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000737427031 598478317 /nfs/dbraw/zinc/47/83/17/598478317.db2.gz PKBDMRXBAMGGRK-UHFFFAOYSA-N -1 3 362.437 3.049 20 0 FGADHM C[C@H](Cc1ccc(F)cc1)C(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000736056883 598484347 /nfs/dbraw/zinc/48/43/47/598484347.db2.gz SEXMDZXDQGXMMB-CHWSQXEVSA-N -1 3 354.385 3.489 20 0 FGADHM C[C@H](Cc1ccc(F)cc1)C(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000736056883 598484349 /nfs/dbraw/zinc/48/43/49/598484349.db2.gz SEXMDZXDQGXMMB-CHWSQXEVSA-N -1 3 354.385 3.489 20 0 FGADHM COc1ccc([C@@H](C)C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737073437 598485382 /nfs/dbraw/zinc/48/53/82/598485382.db2.gz QLQRVKFSEHPVDA-OLZOCXBDSA-N -1 3 352.394 3.283 20 0 FGADHM COc1ccc([C@@H](C)C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737073437 598485384 /nfs/dbraw/zinc/48/53/84/598485384.db2.gz QLQRVKFSEHPVDA-OLZOCXBDSA-N -1 3 352.394 3.283 20 0 FGADHM CCOc1ccc(C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1OC ZINC000736635520 598489750 /nfs/dbraw/zinc/48/97/50/598489750.db2.gz DLBSVVGCCOIJRP-LBPRGKRZSA-N -1 3 368.393 3.192 20 0 FGADHM CCOc1ccc(C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1OC ZINC000736635520 598489751 /nfs/dbraw/zinc/48/97/51/598489751.db2.gz DLBSVVGCCOIJRP-LBPRGKRZSA-N -1 3 368.393 3.192 20 0 FGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)c1cnc(C2CC2)s1 ZINC000735662872 598490561 /nfs/dbraw/zinc/49/05/61/598490561.db2.gz ZZUCFCXJNJGXFE-UHFFFAOYSA-N -1 3 357.443 3.009 20 0 FGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)c1cnc(C2CC2)s1 ZINC000735662872 598490562 /nfs/dbraw/zinc/49/05/62/598490562.db2.gz ZZUCFCXJNJGXFE-UHFFFAOYSA-N -1 3 357.443 3.009 20 0 FGADHM CN(C(=O)C[C@H]1CCCc2ccccc21)c1ccc(-c2nnn[n-]2)cc1F ZINC000736732732 598494160 /nfs/dbraw/zinc/49/41/60/598494160.db2.gz NTRFPOOMZXAIES-CQSZACIVSA-N -1 3 365.412 3.479 20 0 FGADHM CN(C(=O)C[C@H]1CCCc2ccccc21)c1ccc(-c2nn[n-]n2)cc1F ZINC000736732732 598494162 /nfs/dbraw/zinc/49/41/62/598494162.db2.gz NTRFPOOMZXAIES-CQSZACIVSA-N -1 3 365.412 3.479 20 0 FGADHM Clc1cc(NC[C@@H]2CCN(c3ccccc3)C2)ccc1-c1nnn[n-]1 ZINC000737567256 598508128 /nfs/dbraw/zinc/50/81/28/598508128.db2.gz YSYFEGFXYGLEDV-ZDUSSCGKSA-N -1 3 354.845 3.459 20 0 FGADHM Clc1cc(NC[C@@H]2CCN(c3ccccc3)C2)ccc1-c1nn[n-]n1 ZINC000737567256 598508130 /nfs/dbraw/zinc/50/81/30/598508130.db2.gz YSYFEGFXYGLEDV-ZDUSSCGKSA-N -1 3 354.845 3.459 20 0 FGADHM CCc1c(C)sc(NC(=O)c2ccc(N(C)C)c(F)c2)c1-c1nnn[n-]1 ZINC000736674248 598514178 /nfs/dbraw/zinc/51/41/78/598514178.db2.gz BFWXNEXEOPFWPV-UHFFFAOYSA-N -1 3 374.445 3.256 20 0 FGADHM CCc1c(C)sc(NC(=O)c2ccc(N(C)C)c(F)c2)c1-c1nn[n-]n1 ZINC000736674248 598514179 /nfs/dbraw/zinc/51/41/79/598514179.db2.gz BFWXNEXEOPFWPV-UHFFFAOYSA-N -1 3 374.445 3.256 20 0 FGADHM CCc1c(C)sc(NC(=O)COc2ccc(C)cc2C)c1-c1nnn[n-]1 ZINC000736674308 598518526 /nfs/dbraw/zinc/51/85/26/598518526.db2.gz BPRGDKHWOMIUKO-UHFFFAOYSA-N -1 3 371.466 3.433 20 0 FGADHM CCc1c(C)sc(NC(=O)COc2ccc(C)cc2C)c1-c1nn[n-]n1 ZINC000736674308 598518527 /nfs/dbraw/zinc/51/85/27/598518527.db2.gz BPRGDKHWOMIUKO-UHFFFAOYSA-N -1 3 371.466 3.433 20 0 FGADHM CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000735798004 598519671 /nfs/dbraw/zinc/51/96/71/598519671.db2.gz UDTNGYGXDMDCHI-VKJFTORMSA-N -1 3 371.485 3.355 20 0 FGADHM Cc1csc([C@H](C)NC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)n1 ZINC000737454961 598533516 /nfs/dbraw/zinc/53/35/16/598533516.db2.gz KKWKDYBAFPDCFT-QMMMGPOBSA-N -1 3 363.834 3.168 20 0 FGADHM Cc1csc([C@H](C)NC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)n1 ZINC000737454961 598533519 /nfs/dbraw/zinc/53/35/19/598533519.db2.gz KKWKDYBAFPDCFT-QMMMGPOBSA-N -1 3 363.834 3.168 20 0 FGADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000738113152 598533849 /nfs/dbraw/zinc/53/38/49/598533849.db2.gz VKXNDDSNTJJOPS-WOJBJXKFSA-N -1 3 369.428 3.440 20 0 FGADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000738113152 598533851 /nfs/dbraw/zinc/53/38/51/598533851.db2.gz VKXNDDSNTJJOPS-WOJBJXKFSA-N -1 3 369.428 3.440 20 0 FGADHM Cc1ccc(C[C@H](C)NC(=S)Nc2ccccc2-c2nnn[n-]2)c(C)c1 ZINC000737334898 598533978 /nfs/dbraw/zinc/53/39/78/598533978.db2.gz OKVKCUWMTJUEIJ-AWEZNQCLSA-N -1 3 366.494 3.401 20 0 FGADHM Cc1ccc(C[C@H](C)NC(=S)Nc2ccccc2-c2nn[n-]n2)c(C)c1 ZINC000737334898 598533980 /nfs/dbraw/zinc/53/39/80/598533980.db2.gz OKVKCUWMTJUEIJ-AWEZNQCLSA-N -1 3 366.494 3.401 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCC1(C)CCCC1 ZINC000736479366 598541361 /nfs/dbraw/zinc/54/13/61/598541361.db2.gz GERIBNOAXVORAG-UHFFFAOYSA-N -1 3 356.474 3.369 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCC1(C)CCCC1 ZINC000736479366 598541362 /nfs/dbraw/zinc/54/13/62/598541362.db2.gz GERIBNOAXVORAG-UHFFFAOYSA-N -1 3 356.474 3.369 20 0 FGADHM Cc1cc(OCc2cccc(-c3nnn[n-]3)c2)ccc1NC(=O)[C@H]1C[C@H]1C ZINC000737280918 598542397 /nfs/dbraw/zinc/54/23/97/598542397.db2.gz VYSSILFLFQLDKL-PXAZEXFGSA-N -1 3 363.421 3.349 20 0 FGADHM Cc1cc(OCc2cccc(-c3nn[n-]n3)c2)ccc1NC(=O)[C@H]1C[C@H]1C ZINC000737280918 598542398 /nfs/dbraw/zinc/54/23/98/598542398.db2.gz VYSSILFLFQLDKL-PXAZEXFGSA-N -1 3 363.421 3.349 20 0 FGADHM COc1ccc(Cl)c2c1N(C(=O)c1ccc(-c3nnn[n-]3)cc1)CCC2 ZINC000737096522 598543471 /nfs/dbraw/zinc/54/34/71/598543471.db2.gz CKXIMOSFBSCRIH-UHFFFAOYSA-N -1 3 369.812 3.122 20 0 FGADHM COc1ccc(Cl)c2c1N(C(=O)c1ccc(-c3nn[n-]n3)cc1)CCC2 ZINC000737096522 598543473 /nfs/dbraw/zinc/54/34/73/598543473.db2.gz CKXIMOSFBSCRIH-UHFFFAOYSA-N -1 3 369.812 3.122 20 0 FGADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)c1cccc2c1CCC2 ZINC000738144855 598545642 /nfs/dbraw/zinc/54/56/42/598545642.db2.gz GXPHWVUOGBFYAM-UHFFFAOYSA-N -1 3 371.347 3.209 20 0 FGADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)c1cccc2c1CCC2 ZINC000738144855 598545645 /nfs/dbraw/zinc/54/56/45/598545645.db2.gz GXPHWVUOGBFYAM-UHFFFAOYSA-N -1 3 371.347 3.209 20 0 FGADHM Cc1ccc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)s1 ZINC000737314821 598546162 /nfs/dbraw/zinc/54/61/62/598546162.db2.gz IMOUIUFLDCNCQM-UHFFFAOYSA-N -1 3 351.338 3.090 20 0 FGADHM Cc1ccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)s1 ZINC000737314821 598546164 /nfs/dbraw/zinc/54/61/64/598546164.db2.gz IMOUIUFLDCNCQM-UHFFFAOYSA-N -1 3 351.338 3.090 20 0 FGADHM CCCn1c(C)cc(C(=O)COc2ccc(-c3nnn[n-]3)c(F)c2)c1C ZINC000736501193 598547756 /nfs/dbraw/zinc/54/77/56/598547756.db2.gz ZUEBFPQRPOGWDY-UHFFFAOYSA-N -1 3 357.389 3.096 20 0 FGADHM CCCn1c(C)cc(C(=O)COc2ccc(-c3nn[n-]n3)c(F)c2)c1C ZINC000736501193 598547758 /nfs/dbraw/zinc/54/77/58/598547758.db2.gz ZUEBFPQRPOGWDY-UHFFFAOYSA-N -1 3 357.389 3.096 20 0 FGADHM CO[C@H](C)CC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736958305 598554561 /nfs/dbraw/zinc/55/45/61/598554561.db2.gz QKMPMAZARZKBIH-GFCCVEGCSA-N -1 3 353.382 3.023 20 0 FGADHM CO[C@H](C)CC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736958305 598554564 /nfs/dbraw/zinc/55/45/64/598554564.db2.gz QKMPMAZARZKBIH-GFCCVEGCSA-N -1 3 353.382 3.023 20 0 FGADHM CCO[C@@H]1C[C@@H]1C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736614819 598554846 /nfs/dbraw/zinc/55/48/46/598554846.db2.gz VVKXDVKVHXDHNJ-DLBZAZTESA-N -1 3 365.393 3.023 20 0 FGADHM CCO[C@@H]1C[C@@H]1C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736614819 598554847 /nfs/dbraw/zinc/55/48/47/598554847.db2.gz VVKXDVKVHXDHNJ-DLBZAZTESA-N -1 3 365.393 3.023 20 0 FGADHM O=C(Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)c1cncs1 ZINC000738173496 598555884 /nfs/dbraw/zinc/55/58/84/598555884.db2.gz RTWMYMVCPWGHDO-UHFFFAOYSA-N -1 3 364.390 3.368 20 0 FGADHM O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)c1cncs1 ZINC000738173496 598555885 /nfs/dbraw/zinc/55/58/85/598555885.db2.gz RTWMYMVCPWGHDO-UHFFFAOYSA-N -1 3 364.390 3.368 20 0 FGADHM Cc1ccc(C)c(CC(=O)OCc2cn3ccccc3c2-c2nnn[n-]2)c1 ZINC000737321059 598559087 /nfs/dbraw/zinc/55/90/87/598559087.db2.gz BXQNHYAFSFBYEP-UHFFFAOYSA-N -1 3 361.405 3.022 20 0 FGADHM Cc1ccc(C)c(CC(=O)OCc2cn3ccccc3c2-c2nn[n-]n2)c1 ZINC000737321059 598559089 /nfs/dbraw/zinc/55/90/89/598559089.db2.gz BXQNHYAFSFBYEP-UHFFFAOYSA-N -1 3 361.405 3.022 20 0 FGADHM CC1(C)CCN(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)CC1 ZINC000736211260 598561578 /nfs/dbraw/zinc/56/15/78/598561578.db2.gz NTXFJDNKKPHHNQ-UHFFFAOYSA-N -1 3 366.372 3.122 20 0 FGADHM CC1(C)CCN(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)CC1 ZINC000736211260 598561580 /nfs/dbraw/zinc/56/15/80/598561580.db2.gz NTXFJDNKKPHHNQ-UHFFFAOYSA-N -1 3 366.372 3.122 20 0 FGADHM CC[C@H](C)[C@@H](C)NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000736327383 598561922 /nfs/dbraw/zinc/56/19/22/598561922.db2.gz FBYBPFRKUFAFPD-DTWKUNHWSA-N -1 3 354.361 3.024 20 0 FGADHM CC[C@H](C)[C@@H](C)NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000736327383 598561924 /nfs/dbraw/zinc/56/19/24/598561924.db2.gz FBYBPFRKUFAFPD-DTWKUNHWSA-N -1 3 354.361 3.024 20 0 FGADHM C[C@H](NC(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736100562 598568264 /nfs/dbraw/zinc/56/82/64/598568264.db2.gz MNSKHSOVCZLAGW-VQISRLSMSA-N -1 3 369.375 3.126 20 0 FGADHM C[C@H](NC(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736100562 598568265 /nfs/dbraw/zinc/56/82/65/598568265.db2.gz MNSKHSOVCZLAGW-VQISRLSMSA-N -1 3 369.375 3.126 20 0 FGADHM O=C(c1ccc(-c2nnn[n-]2)cc1)N1CCCc2c(Cl)ccc(F)c21 ZINC000738255501 598570654 /nfs/dbraw/zinc/57/06/54/598570654.db2.gz UOCIYWUJWWAUHJ-UHFFFAOYSA-N -1 3 357.776 3.252 20 0 FGADHM O=C(c1ccc(-c2nn[n-]n2)cc1)N1CCCc2c(Cl)ccc(F)c21 ZINC000738255501 598570656 /nfs/dbraw/zinc/57/06/56/598570656.db2.gz UOCIYWUJWWAUHJ-UHFFFAOYSA-N -1 3 357.776 3.252 20 0 FGADHM O=C(Nc1ccccc1-c1nnn[n-]1)c1ccnc(Oc2ccccc2)c1 ZINC000738192627 598573763 /nfs/dbraw/zinc/57/37/63/598573763.db2.gz TVGVISRPAPJAFZ-UHFFFAOYSA-N -1 3 358.361 3.306 20 0 FGADHM O=C(Nc1ccccc1-c1nn[n-]n1)c1ccnc(Oc2ccccc2)c1 ZINC000738192627 598573765 /nfs/dbraw/zinc/57/37/65/598573765.db2.gz TVGVISRPAPJAFZ-UHFFFAOYSA-N -1 3 358.361 3.306 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)O[C@@H]1CCCc2ccccc2C1=O ZINC000737801198 598583834 /nfs/dbraw/zinc/58/38/34/598583834.db2.gz MQGPXVPCMGRWLQ-QFQMRYFISA-N -1 3 374.400 3.011 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)O[C@@H]1CCCc2ccccc2C1=O ZINC000737801198 598583836 /nfs/dbraw/zinc/58/38/36/598583836.db2.gz MQGPXVPCMGRWLQ-QFQMRYFISA-N -1 3 374.400 3.011 20 0 FGADHM O=C(CSc1ccnc2ccccc21)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000737946444 598585434 /nfs/dbraw/zinc/58/54/34/598585434.db2.gz FBMAQEXUBXOLLA-UHFFFAOYSA-N -1 3 362.418 3.146 20 0 FGADHM O=C(CSc1ccnc2ccccc21)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000737946444 598585435 /nfs/dbraw/zinc/58/54/35/598585435.db2.gz FBMAQEXUBXOLLA-UHFFFAOYSA-N -1 3 362.418 3.146 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000738163704 598585672 /nfs/dbraw/zinc/58/56/72/598585672.db2.gz STMUMSJWEOPULR-IUCAKERBSA-N -1 3 357.311 3.313 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000738163704 598585674 /nfs/dbraw/zinc/58/56/74/598585674.db2.gz STMUMSJWEOPULR-IUCAKERBSA-N -1 3 357.311 3.313 20 0 FGADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)N1CCCc2cc(Cl)cc(F)c21 ZINC000737963017 598588383 /nfs/dbraw/zinc/58/83/83/598588383.db2.gz QLQPNJTYXBRCFP-UHFFFAOYSA-N -1 3 371.803 3.181 20 0 FGADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)N1CCCc2cc(Cl)cc(F)c21 ZINC000737963017 598588385 /nfs/dbraw/zinc/58/83/85/598588385.db2.gz QLQPNJTYXBRCFP-UHFFFAOYSA-N -1 3 371.803 3.181 20 0 FGADHM C[C@@H]1CCc2sc(C(=O)Nc3ccc(F)c(-c4nnn[n-]4)c3)cc2C1 ZINC000736281343 598590178 /nfs/dbraw/zinc/59/01/78/598590178.db2.gz VFIUOFRJZZWCPE-SECBINFHSA-N -1 3 357.414 3.444 20 0 FGADHM C[C@@H]1CCc2sc(C(=O)Nc3ccc(F)c(-c4nn[n-]n4)c3)cc2C1 ZINC000736281343 598590180 /nfs/dbraw/zinc/59/01/80/598590180.db2.gz VFIUOFRJZZWCPE-SECBINFHSA-N -1 3 357.414 3.444 20 0 FGADHM Clc1ccc(-c2noc(CCNc3ccc(-c4nn[n-]n4)cc3)n2)cc1 ZINC000737571245 598592427 /nfs/dbraw/zinc/59/24/27/598592427.db2.gz XXDWFGWWUQBTHQ-UHFFFAOYSA-N -1 3 367.800 3.225 20 0 FGADHM CC(C)CN(Cc1nnc(C(C)(C)C)o1)c1ccc(-c2nn[n-]n2)cc1 ZINC000735830847 598593364 /nfs/dbraw/zinc/59/33/64/598593364.db2.gz JZFDJRLWKBVTSS-UHFFFAOYSA-N -1 3 355.446 3.210 20 0 FGADHM c1csc(Cc2noc(CSc3ccc(-c4nnn[n-]4)cc3)n2)c1 ZINC000738453074 598609720 /nfs/dbraw/zinc/60/97/20/598609720.db2.gz UWDKMRLAZXOAKU-UHFFFAOYSA-N -1 3 356.436 3.194 20 0 FGADHM c1csc(Cc2noc(CSc3ccc(-c4nn[n-]n4)cc3)n2)c1 ZINC000738453074 598609721 /nfs/dbraw/zinc/60/97/21/598609721.db2.gz UWDKMRLAZXOAKU-UHFFFAOYSA-N -1 3 356.436 3.194 20 0 FGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@H]1C1CCC1 ZINC000735659521 598616892 /nfs/dbraw/zinc/61/68/92/598616892.db2.gz BPPLDNHWFUEBAB-AWEZNQCLSA-N -1 3 357.462 3.220 20 0 FGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@H]1C1CCC1 ZINC000735659521 598616893 /nfs/dbraw/zinc/61/68/93/598616893.db2.gz BPPLDNHWFUEBAB-AWEZNQCLSA-N -1 3 357.462 3.220 20 0 FGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@@H]1C1CCC1 ZINC000735906147 598622848 /nfs/dbraw/zinc/62/28/48/598622848.db2.gz PDZDXDTUDVSTDM-MRXNPFEDSA-N -1 3 370.457 3.450 20 0 FGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@@H]1C1CCC1 ZINC000735906147 598622850 /nfs/dbraw/zinc/62/28/50/598622850.db2.gz PDZDXDTUDVSTDM-MRXNPFEDSA-N -1 3 370.457 3.450 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@@H]1C1CCC1 ZINC000736638257 598623183 /nfs/dbraw/zinc/62/31/83/598623183.db2.gz ZCAGIZRDOXNPEM-OAHLLOKOSA-N -1 3 356.430 3.062 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@@H]1C1CCC1 ZINC000736638257 598623185 /nfs/dbraw/zinc/62/31/85/598623185.db2.gz ZCAGIZRDOXNPEM-OAHLLOKOSA-N -1 3 356.430 3.062 20 0 FGADHM CC(C)Oc1cccc(CNC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000735914282 598628859 /nfs/dbraw/zinc/62/88/59/598628859.db2.gz UWAMBEXHBXPRHR-UHFFFAOYSA-N -1 3 370.388 3.115 20 0 FGADHM CC(C)Oc1cccc(CNC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000735914282 598628860 /nfs/dbraw/zinc/62/88/60/598628860.db2.gz UWAMBEXHBXPRHR-UHFFFAOYSA-N -1 3 370.388 3.115 20 0 FGADHM CCN(CCc1cccs1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736543325 598629286 /nfs/dbraw/zinc/62/92/86/598629286.db2.gz ZIXDGQOGRQBIMA-UHFFFAOYSA-N -1 3 360.418 3.164 20 0 FGADHM CCN(CCc1cccs1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736543325 598629288 /nfs/dbraw/zinc/62/92/88/598629288.db2.gz ZIXDGQOGRQBIMA-UHFFFAOYSA-N -1 3 360.418 3.164 20 0 FGADHM Cc1cc(C)c(CNC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c(C)c1 ZINC000737247709 598629637 /nfs/dbraw/zinc/62/96/37/598629637.db2.gz ZPHZBJFZZAOACP-UHFFFAOYSA-N -1 3 354.389 3.253 20 0 FGADHM Cc1cc(C)c(CNC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c(C)c1 ZINC000737247709 598629639 /nfs/dbraw/zinc/62/96/39/598629639.db2.gz ZPHZBJFZZAOACP-UHFFFAOYSA-N -1 3 354.389 3.253 20 0 FGADHM C[C@@H](c1ccc(F)cc1)N(C)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736198816 598631850 /nfs/dbraw/zinc/63/18/50/598631850.db2.gz KWNJAXRQIJXGPL-JTQLQIEISA-N -1 3 358.352 3.370 20 0 FGADHM C[C@@H](c1ccc(F)cc1)N(C)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736198816 598631851 /nfs/dbraw/zinc/63/18/51/598631851.db2.gz KWNJAXRQIJXGPL-JTQLQIEISA-N -1 3 358.352 3.370 20 0 FGADHM C[C@@H]1CN(c2c(Cl)cccc2-c2nnn[n-]2)C[C@@H](c2ccccc2)O1 ZINC000736287786 598634435 /nfs/dbraw/zinc/63/44/35/598634435.db2.gz FNADPXNKFLZJEC-WBMJQRKESA-N -1 3 355.829 3.487 20 0 FGADHM C[C@@H]1CN(c2c(Cl)cccc2-c2nn[n-]n2)C[C@@H](c2ccccc2)O1 ZINC000736287786 598634437 /nfs/dbraw/zinc/63/44/37/598634437.db2.gz FNADPXNKFLZJEC-WBMJQRKESA-N -1 3 355.829 3.487 20 0 FGADHM Fc1ccc(-c2nc(COc3ccccc3-c3nnn[n-]3)co2)cc1F ZINC000737653988 598643763 /nfs/dbraw/zinc/64/37/63/598643763.db2.gz VBZZDYWDDCHRNK-UHFFFAOYSA-N -1 3 355.304 3.379 20 0 FGADHM Fc1ccc(-c2nc(COc3ccccc3-c3nn[n-]n3)co2)cc1F ZINC000737653988 598643765 /nfs/dbraw/zinc/64/37/65/598643765.db2.gz VBZZDYWDDCHRNK-UHFFFAOYSA-N -1 3 355.304 3.379 20 0 FGADHM CN(Cc1ccsc1)C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736830552 598648572 /nfs/dbraw/zinc/64/85/72/598648572.db2.gz WFEOPQVIDYDBIO-UHFFFAOYSA-N -1 3 371.466 3.136 20 0 FGADHM CN(Cc1ccsc1)C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736830552 598648574 /nfs/dbraw/zinc/64/85/74/598648574.db2.gz WFEOPQVIDYDBIO-UHFFFAOYSA-N -1 3 371.466 3.136 20 0 FGADHM COCCOc1ccccc1CNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737013872 598656317 /nfs/dbraw/zinc/65/63/17/598656317.db2.gz MKGAMLAMAPMPIF-UHFFFAOYSA-N -1 3 359.817 3.157 20 0 FGADHM COCCOc1ccccc1CNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737013872 598656319 /nfs/dbraw/zinc/65/63/19/598656319.db2.gz MKGAMLAMAPMPIF-UHFFFAOYSA-N -1 3 359.817 3.157 20 0 FGADHM C[C@@H](C(=O)Nc1ccc(-c2nnn[n-]2)cn1)c1c(Cl)cccc1Cl ZINC000735550890 598658756 /nfs/dbraw/zinc/65/87/56/598658756.db2.gz MQUVVZNQPWDHKW-MRVPVSSYSA-N -1 3 363.208 3.311 20 0 FGADHM C[C@@H](C(=O)Nc1ccc(-c2nn[n-]n2)cn1)c1c(Cl)cccc1Cl ZINC000735550890 598658758 /nfs/dbraw/zinc/65/87/58/598658758.db2.gz MQUVVZNQPWDHKW-MRVPVSSYSA-N -1 3 363.208 3.311 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cn1)[C@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000738152396 598662293 /nfs/dbraw/zinc/66/22/93/598662293.db2.gz XLMCLVPYDQMNKO-SJORKVTESA-N -1 3 356.389 3.157 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cn1)[C@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000738152396 598662295 /nfs/dbraw/zinc/66/22/95/598662295.db2.gz XLMCLVPYDQMNKO-SJORKVTESA-N -1 3 356.389 3.157 20 0 FGADHM CC(=O)Nc1ccc(CCNc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000735485341 598671669 /nfs/dbraw/zinc/67/16/69/598671669.db2.gz UCEIRZNTYDGWMN-UHFFFAOYSA-N -1 3 356.817 3.133 20 0 FGADHM CC(=O)Nc1ccc(CCNc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000735485341 598671671 /nfs/dbraw/zinc/67/16/71/598671671.db2.gz UCEIRZNTYDGWMN-UHFFFAOYSA-N -1 3 356.817 3.133 20 0 FGADHM Cc1ccc([C@H](C)NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)o1 ZINC000737320712 598683131 /nfs/dbraw/zinc/68/31/31/598683131.db2.gz ODKULSJZNYGXMY-AWEZNQCLSA-N -1 3 369.425 3.195 20 0 FGADHM Cc1ccc([C@H](C)NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)o1 ZINC000737320712 598683133 /nfs/dbraw/zinc/68/31/33/598683133.db2.gz ODKULSJZNYGXMY-AWEZNQCLSA-N -1 3 369.425 3.195 20 0 FGADHM COc1ccccc1OCCSCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737156443 598696780 /nfs/dbraw/zinc/69/67/80/598696780.db2.gz VNDLNDIXOWSKGH-UHFFFAOYSA-N -1 3 360.414 3.327 20 0 FGADHM COc1ccccc1OCCSCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737156443 598696782 /nfs/dbraw/zinc/69/67/82/598696782.db2.gz VNDLNDIXOWSKGH-UHFFFAOYSA-N -1 3 360.414 3.327 20 0 FGADHM O=C(CCc1ccccc1Cl)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737857077 598703696 /nfs/dbraw/zinc/70/36/96/598703696.db2.gz LDLSISHIDFDKCT-UHFFFAOYSA-N -1 3 360.776 3.335 20 0 FGADHM O=C(CCc1ccccc1Cl)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737857077 598703697 /nfs/dbraw/zinc/70/36/97/598703697.db2.gz LDLSISHIDFDKCT-UHFFFAOYSA-N -1 3 360.776 3.335 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)c1csc2c1CCCC2 ZINC000738234363 598705494 /nfs/dbraw/zinc/70/54/94/598705494.db2.gz DAIJGODVVZJOQE-UHFFFAOYSA-N -1 3 358.398 3.303 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)c1csc2c1CCCC2 ZINC000738234363 598705495 /nfs/dbraw/zinc/70/54/95/598705495.db2.gz DAIJGODVVZJOQE-UHFFFAOYSA-N -1 3 358.398 3.303 20 0 FGADHM Cc1[nH]c2c(cccc2C(=O)OCc2ccc(F)cc2-c2nnn[n-]2)c1C ZINC000737199510 598705900 /nfs/dbraw/zinc/70/59/00/598705900.db2.gz NRELLDHRYQXUFU-UHFFFAOYSA-N -1 3 365.368 3.461 20 0 FGADHM Cc1[nH]c2c(cccc2C(=O)OCc2ccc(F)cc2-c2nn[n-]n2)c1C ZINC000737199510 598705902 /nfs/dbraw/zinc/70/59/02/598705902.db2.gz NRELLDHRYQXUFU-UHFFFAOYSA-N -1 3 365.368 3.461 20 0 FGADHM Cc1ccc(OCCC(=O)OCc2ccc(F)cc2-c2nnn[n-]2)c(C)c1 ZINC000737366573 598706244 /nfs/dbraw/zinc/70/62/44/598706244.db2.gz SEZMUTMTSOTUKK-UHFFFAOYSA-N -1 3 370.384 3.135 20 0 FGADHM Cc1ccc(OCCC(=O)OCc2ccc(F)cc2-c2nn[n-]n2)c(C)c1 ZINC000737366573 598706246 /nfs/dbraw/zinc/70/62/46/598706246.db2.gz SEZMUTMTSOTUKK-UHFFFAOYSA-N -1 3 370.384 3.135 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)c1cc2cc(Cl)ccc2[nH]1 ZINC000738236086 598707315 /nfs/dbraw/zinc/70/73/15/598707315.db2.gz RZUDJOOBZAMPMF-UHFFFAOYSA-N -1 3 371.759 3.498 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)c1cc2cc(Cl)ccc2[nH]1 ZINC000738236086 598707316 /nfs/dbraw/zinc/70/73/16/598707316.db2.gz RZUDJOOBZAMPMF-UHFFFAOYSA-N -1 3 371.759 3.498 20 0 FGADHM O=C(CCc1ccc(Cl)s1)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737854767 598708575 /nfs/dbraw/zinc/70/85/75/598708575.db2.gz WFXILHDPLOUFQG-UHFFFAOYSA-N -1 3 366.805 3.397 20 0 FGADHM O=C(CCc1ccc(Cl)s1)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737854767 598708577 /nfs/dbraw/zinc/70/85/77/598708577.db2.gz WFXILHDPLOUFQG-UHFFFAOYSA-N -1 3 366.805 3.397 20 0 FGADHM C[C@H](Cc1cccc(F)c1)C(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000736059414 598709222 /nfs/dbraw/zinc/70/92/22/598709222.db2.gz SDAOPZOIQGFRNB-LLVKDONJSA-N -1 3 358.348 3.067 20 0 FGADHM C[C@H](Cc1cccc(F)c1)C(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000736059414 598709224 /nfs/dbraw/zinc/70/92/24/598709224.db2.gz SDAOPZOIQGFRNB-LLVKDONJSA-N -1 3 358.348 3.067 20 0 FGADHM C[C@@H](CSc1ccccc1)C(=O)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000736046185 598724549 /nfs/dbraw/zinc/72/45/49/598724549.db2.gz GKDOZJWKSRETRR-ZDUSSCGKSA-N -1 3 354.435 3.338 20 0 FGADHM C[C@@H](CSc1ccccc1)C(=O)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000736046185 598724551 /nfs/dbraw/zinc/72/45/51/598724551.db2.gz GKDOZJWKSRETRR-ZDUSSCGKSA-N -1 3 354.435 3.338 20 0 FGADHM Cc1cccc2[nH]cc(CC(=O)N[C@H](C)c3ccc(-c4nnn[n-]4)cc3)c21 ZINC000737409013 598736833 /nfs/dbraw/zinc/73/68/33/598736833.db2.gz PKXYTFFZPPSHGD-CYBMUJFWSA-N -1 3 360.421 3.076 20 0 FGADHM Cc1cccc2[nH]cc(CC(=O)N[C@H](C)c3ccc(-c4nn[n-]n4)cc3)c21 ZINC000737409013 598736834 /nfs/dbraw/zinc/73/68/34/598736834.db2.gz PKXYTFFZPPSHGD-CYBMUJFWSA-N -1 3 360.421 3.076 20 0 FGADHM Cc1ccccc1-n1cc(C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cn1 ZINC000737416068 598762088 /nfs/dbraw/zinc/76/20/88/598762088.db2.gz WRWTWKCFIAWBAE-AWEZNQCLSA-N -1 3 374.404 3.279 20 0 FGADHM Cc1ccccc1-n1cc(C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cn1 ZINC000737416068 598762090 /nfs/dbraw/zinc/76/20/90/598762090.db2.gz WRWTWKCFIAWBAE-AWEZNQCLSA-N -1 3 374.404 3.279 20 0 FGADHM Fc1cc(F)c2ncc(-c3nnn[n-]3)c(NCc3ccccc3F)c2c1 ZINC000737653377 598771326 /nfs/dbraw/zinc/77/13/26/598771326.db2.gz RFESKHTYMBXQIO-UHFFFAOYSA-N -1 3 356.311 3.444 20 0 FGADHM Fc1cc(F)c2ncc(-c3nn[n-]n3)c(NCc3ccccc3F)c2c1 ZINC000737653377 598771327 /nfs/dbraw/zinc/77/13/27/598771327.db2.gz RFESKHTYMBXQIO-UHFFFAOYSA-N -1 3 356.311 3.444 20 0 FGADHM Cc1cccc2[nH]cc(CC(=O)OCc3cc(-c4nnn[n-]4)ccc3F)c21 ZINC000737409770 598779640 /nfs/dbraw/zinc/77/96/40/598779640.db2.gz SBCBORIVEFRZND-UHFFFAOYSA-N -1 3 365.368 3.081 20 0 FGADHM Cc1cccc2[nH]cc(CC(=O)OCc3cc(-c4nn[n-]n4)ccc3F)c21 ZINC000737409770 598779641 /nfs/dbraw/zinc/77/96/41/598779641.db2.gz SBCBORIVEFRZND-UHFFFAOYSA-N -1 3 365.368 3.081 20 0 FGADHM CC[C@@H](CC(=O)OCCOc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000736333472 598780809 /nfs/dbraw/zinc/78/08/09/598780809.db2.gz RBYQPUDLOXYQSM-HNNXBMFYSA-N -1 3 366.421 3.373 20 0 FGADHM CC[C@@H](CC(=O)OCCOc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000736333472 598780810 /nfs/dbraw/zinc/78/08/10/598780810.db2.gz RBYQPUDLOXYQSM-HNNXBMFYSA-N -1 3 366.421 3.373 20 0 FGADHM Cc1cc2cc(NC(=O)N(C)Cc3cccc(-c4nnn[n-]4)c3)ccc2[nH]1 ZINC000737285261 598782550 /nfs/dbraw/zinc/78/25/50/598782550.db2.gz QCFQMPZROPUIBZ-UHFFFAOYSA-N -1 3 361.409 3.320 20 0 FGADHM Cc1cc2cc(NC(=O)N(C)Cc3cccc(-c4nn[n-]n4)c3)ccc2[nH]1 ZINC000737285261 598782551 /nfs/dbraw/zinc/78/25/51/598782551.db2.gz QCFQMPZROPUIBZ-UHFFFAOYSA-N -1 3 361.409 3.320 20 0 FGADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1)c1ccc(-n2cccc2)c(F)c1 ZINC000738232527 598788610 /nfs/dbraw/zinc/78/86/10/598788610.db2.gz RRECSTWLPATGTD-UHFFFAOYSA-N -1 3 363.352 3.154 20 0 FGADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1)c1ccc(-n2cccc2)c(F)c1 ZINC000738232527 598788611 /nfs/dbraw/zinc/78/86/11/598788611.db2.gz RRECSTWLPATGTD-UHFFFAOYSA-N -1 3 363.352 3.154 20 0 FGADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)[C@@H]1CCc2ccccc21 ZINC000737027139 598790607 /nfs/dbraw/zinc/79/06/07/598790607.db2.gz YOYGJOVPRIMEED-CYBMUJFWSA-N -1 3 370.796 3.164 20 0 FGADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)[C@@H]1CCc2ccccc21 ZINC000737027139 598790608 /nfs/dbraw/zinc/79/06/08/598790608.db2.gz YOYGJOVPRIMEED-CYBMUJFWSA-N -1 3 370.796 3.164 20 0 FGADHM O=C(CNc1ccc(Cl)cc1-c1nnn[n-]1)Nc1ccc(Cl)cc1 ZINC000737898990 598795570 /nfs/dbraw/zinc/79/55/70/598795570.db2.gz OHBUUMSJEQHFTI-UHFFFAOYSA-N -1 3 363.208 3.224 20 0 FGADHM O=C(CNc1ccc(Cl)cc1-c1nn[n-]n1)Nc1ccc(Cl)cc1 ZINC000737898990 598795572 /nfs/dbraw/zinc/79/55/72/598795572.db2.gz OHBUUMSJEQHFTI-UHFFFAOYSA-N -1 3 363.208 3.224 20 0 FGADHM O=C(Oc1ccc(-c2noc(C3CC3)n2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000738252240 598799651 /nfs/dbraw/zinc/79/96/51/598799651.db2.gz XFLGNVGXWXQCPM-UHFFFAOYSA-N -1 3 374.360 3.013 20 0 FGADHM O=C(Oc1ccc(-c2noc(C3CC3)n2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000738252240 598799654 /nfs/dbraw/zinc/79/96/54/598799654.db2.gz XFLGNVGXWXQCPM-UHFFFAOYSA-N -1 3 374.360 3.013 20 0 FGADHM Cc1cccc(C)c1OCCCOC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737389653 598800851 /nfs/dbraw/zinc/80/08/51/598800851.db2.gz MVGMWIBUUNGGSE-UHFFFAOYSA-N -1 3 352.394 3.109 20 0 FGADHM Cc1cccc(C)c1OCCCOC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737389653 598800852 /nfs/dbraw/zinc/80/08/52/598800852.db2.gz MVGMWIBUUNGGSE-UHFFFAOYSA-N -1 3 352.394 3.109 20 0 FGADHM Cc1nc2c(s1)[C@H](OC(=O)C=Cc1ccccc1-c1nnn[n-]1)CCC2 ZINC000737487283 598801904 /nfs/dbraw/zinc/80/19/04/598801904.db2.gz HFEJKVBPYUOTKK-BOLDSZDNSA-N -1 3 367.434 3.266 20 0 FGADHM Cc1nc2c(s1)[C@H](OC(=O)C=Cc1ccccc1-c1nn[n-]n1)CCC2 ZINC000737487283 598801905 /nfs/dbraw/zinc/80/19/05/598801905.db2.gz HFEJKVBPYUOTKK-BOLDSZDNSA-N -1 3 367.434 3.266 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H](CC)OC1CCCC1 ZINC000736481162 598802316 /nfs/dbraw/zinc/80/23/16/598802316.db2.gz UZFQJJLWDITEFW-SFHVURJKSA-N -1 3 371.485 3.343 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H](CC)OC1CCCC1 ZINC000736481162 598802318 /nfs/dbraw/zinc/80/23/18/598802318.db2.gz UZFQJJLWDITEFW-SFHVURJKSA-N -1 3 371.485 3.343 20 0 FGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)CO[C@H]1CCCC[C@H]1C ZINC000736273878 598802601 /nfs/dbraw/zinc/80/26/01/598802601.db2.gz SLYINXYGOVLFCM-QAPCUYQASA-N -1 3 371.485 3.199 20 0 FGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)CO[C@H]1CCCC[C@H]1C ZINC000736273878 598802602 /nfs/dbraw/zinc/80/26/02/598802602.db2.gz SLYINXYGOVLFCM-QAPCUYQASA-N -1 3 371.485 3.199 20 0 FGADHM CC(C)(C)OC(=O)N1CCCC[C@H](Nc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000735628143 598816997 /nfs/dbraw/zinc/81/69/97/598816997.db2.gz ROTNUEWVSJTKIP-HNNXBMFYSA-N -1 3 358.446 3.068 20 0 FGADHM CSCC[C@@H](C)NC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000821962033 599293136 /nfs/dbraw/zinc/29/31/36/599293136.db2.gz NVTIMFBJGRBBCY-MRVPVSSYSA-N -1 3 374.392 3.149 20 0 FGADHM CSCC[C@@H](C)NC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821962033 599293139 /nfs/dbraw/zinc/29/31/39/599293139.db2.gz NVTIMFBJGRBBCY-MRVPVSSYSA-N -1 3 374.392 3.149 20 0 FGADHM C[C@H](NC(=O)[C@@H]1C[C@@]12CCCc1ccccc12)c1ccc(-c2nnn[n-]2)cc1 ZINC000820321611 599310871 /nfs/dbraw/zinc/31/08/71/599310871.db2.gz JLDUOEVHVDSQRL-OSGPJOMKSA-N -1 3 373.460 3.338 20 0 FGADHM C[C@H](NC(=O)[C@@H]1C[C@@]12CCCc1ccccc12)c1ccc(-c2nn[n-]n2)cc1 ZINC000820321611 599310874 /nfs/dbraw/zinc/31/08/74/599310874.db2.gz JLDUOEVHVDSQRL-OSGPJOMKSA-N -1 3 373.460 3.338 20 0 FGADHM CCN(C(=O)COc1ccc(Cl)c(C)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736504965 599312023 /nfs/dbraw/zinc/31/20/23/599312023.db2.gz JVVSOWPWKBTPPM-UHFFFAOYSA-N -1 3 371.828 3.260 20 0 FGADHM CCN(C(=O)COc1ccc(Cl)c(C)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736504965 599312026 /nfs/dbraw/zinc/31/20/26/599312026.db2.gz JVVSOWPWKBTPPM-UHFFFAOYSA-N -1 3 371.828 3.260 20 0 FGADHM COc1ccc(CSCc2cc(-c3nnn[n-]3)ccc2OC)cc1F ZINC000821823790 607368458 /nfs/dbraw/zinc/36/84/58/607368458.db2.gz COEUCFGOVOWITL-UHFFFAOYSA-N -1 3 360.414 3.456 20 0 FGADHM COc1ccc(CSCc2cc(-c3nn[n-]n3)ccc2OC)cc1F ZINC000821823790 607368459 /nfs/dbraw/zinc/36/84/59/607368459.db2.gz COEUCFGOVOWITL-UHFFFAOYSA-N -1 3 360.414 3.456 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NCc1ccc(Br)s1 ZINC000737062841 599328484 /nfs/dbraw/zinc/32/84/84/599328484.db2.gz QYLZCJKZWRBKCX-UHFFFAOYSA-N -1 3 366.244 3.311 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NCc1ccc(Br)s1 ZINC000737062841 599328486 /nfs/dbraw/zinc/32/84/86/599328486.db2.gz QYLZCJKZWRBKCX-UHFFFAOYSA-N -1 3 366.244 3.311 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1CNc1ccc(OC(F)(F)F)cc1 ZINC000821736736 607369451 /nfs/dbraw/zinc/36/94/51/607369451.db2.gz NDCHECPZCWAMPM-UHFFFAOYSA-N -1 3 365.315 3.386 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1CNc1ccc(OC(F)(F)F)cc1 ZINC000821736736 607369453 /nfs/dbraw/zinc/36/94/53/607369453.db2.gz NDCHECPZCWAMPM-UHFFFAOYSA-N -1 3 365.315 3.386 20 0 FGADHM C[C@@H](S[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1cccs1 ZINC000736187947 599333098 /nfs/dbraw/zinc/33/30/98/599333098.db2.gz DVIFFTXMMWNLNH-NWDGAFQWSA-N -1 3 373.507 3.427 20 0 FGADHM C[C@@H](S[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1cccs1 ZINC000736187947 599333100 /nfs/dbraw/zinc/33/31/00/599333100.db2.gz DVIFFTXMMWNLNH-NWDGAFQWSA-N -1 3 373.507 3.427 20 0 FGADHM CC(C)[C@@H](Sc1ccccc1-c1nnn[n-]1)C(=O)N1CCCC[C@H]1C ZINC000820031189 599349318 /nfs/dbraw/zinc/34/93/18/599349318.db2.gz BJLQIVZJUHFJAD-CZUORRHYSA-N -1 3 359.499 3.384 20 0 FGADHM CC(C)[C@@H](Sc1ccccc1-c1nn[n-]n1)C(=O)N1CCCC[C@H]1C ZINC000820031189 599349321 /nfs/dbraw/zinc/34/93/21/599349321.db2.gz BJLQIVZJUHFJAD-CZUORRHYSA-N -1 3 359.499 3.384 20 0 FGADHM C[C@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)c1ccc(-n2cccn2)cc1 ZINC000820462298 599357203 /nfs/dbraw/zinc/35/72/03/599357203.db2.gz XBCGPBQTBCNOML-NSHDSACASA-N -1 3 366.816 3.274 20 0 FGADHM C[C@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)c1ccc(-n2cccn2)cc1 ZINC000820462298 599357206 /nfs/dbraw/zinc/35/72/06/599357206.db2.gz XBCGPBQTBCNOML-NSHDSACASA-N -1 3 366.816 3.274 20 0 FGADHM CSC(C)(C)CNc1c(-c2nnn[n-]2)cnc2c(F)ccc(Cl)c21 ZINC000821948906 599357511 /nfs/dbraw/zinc/35/75/11/599357511.db2.gz DMRFQEIZKVTZGY-UHFFFAOYSA-N -1 3 366.853 3.183 20 0 FGADHM CSC(C)(C)CNc1c(-c2nn[n-]n2)cnc2c(F)ccc(Cl)c21 ZINC000821948906 599357513 /nfs/dbraw/zinc/35/75/13/599357513.db2.gz DMRFQEIZKVTZGY-UHFFFAOYSA-N -1 3 366.853 3.183 20 0 FGADHM CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736963305 599378805 /nfs/dbraw/zinc/37/88/05/599378805.db2.gz RTMCIQUWYCYRAJ-ZBEGNZNMSA-N -1 3 371.828 3.026 20 0 FGADHM CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736963305 599378808 /nfs/dbraw/zinc/37/88/08/599378808.db2.gz RTMCIQUWYCYRAJ-ZBEGNZNMSA-N -1 3 371.828 3.026 20 0 FGADHM CCc1ccccc1NC(=O)COc1c(C)cc(-c2nn[n-]n2)cc1C ZINC000821497745 599386738 /nfs/dbraw/zinc/38/67/38/599386738.db2.gz YXXBHWXLIRRZII-UHFFFAOYSA-N -1 3 351.410 3.063 20 0 FGADHM COc1ccc([C@@H](NCc2ccc(-c3nnn[n-]3)o2)c2ccccc2)cc1 ZINC000821777152 599393075 /nfs/dbraw/zinc/39/30/75/599393075.db2.gz BFPFPXHCCMFZMV-IBGZPJMESA-N -1 3 361.405 3.348 20 0 FGADHM COc1ccc([C@@H](NCc2ccc(-c3nn[n-]n3)o2)c2ccccc2)cc1 ZINC000821777152 599393077 /nfs/dbraw/zinc/39/30/77/599393077.db2.gz BFPFPXHCCMFZMV-IBGZPJMESA-N -1 3 361.405 3.348 20 0 FGADHM C[C@@H](CCc1ccccc1)NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820253101 599398004 /nfs/dbraw/zinc/39/80/04/599398004.db2.gz FLDFQWZZBYDOAF-GJZGRUSLSA-N -1 3 364.453 3.248 20 0 FGADHM C[C@@H](CCc1ccccc1)NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820253101 599398010 /nfs/dbraw/zinc/39/80/10/599398010.db2.gz FLDFQWZZBYDOAF-GJZGRUSLSA-N -1 3 364.453 3.248 20 0 FGADHM CN(CCOc1ccccc1F)c1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000736804433 599400159 /nfs/dbraw/zinc/40/01/59/599400159.db2.gz OAIGXMISKPXDBH-UHFFFAOYSA-N -1 3 364.384 3.069 20 0 FGADHM CN(CCOc1ccccc1F)c1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000736804433 599400161 /nfs/dbraw/zinc/40/01/61/599400161.db2.gz OAIGXMISKPXDBH-UHFFFAOYSA-N -1 3 364.384 3.069 20 0 FGADHM CCN(CC)c1ccc(CNc2cc(-c3nnn[n-]3)c3ccccc3n2)cn1 ZINC000736532010 599409128 /nfs/dbraw/zinc/40/91/28/599409128.db2.gz OZOWBMDJOSRLJO-UHFFFAOYSA-N -1 3 374.452 3.268 20 0 FGADHM CCN(CC)c1ccc(CNc2cc(-c3nn[n-]n3)c3ccccc3n2)cn1 ZINC000736532010 599409130 /nfs/dbraw/zinc/40/91/30/599409130.db2.gz OZOWBMDJOSRLJO-UHFFFAOYSA-N -1 3 374.452 3.268 20 0 FGADHM C[C@H]1CCCC[C@@H]1OCCNc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000736271052 599409549 /nfs/dbraw/zinc/40/95/49/599409549.db2.gz MGQDVAAIKJJBPU-GUYCJALGSA-N -1 3 352.442 3.422 20 0 FGADHM C[C@H]1CCCC[C@@H]1OCCNc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000736271052 599409552 /nfs/dbraw/zinc/40/95/52/599409552.db2.gz MGQDVAAIKJJBPU-GUYCJALGSA-N -1 3 352.442 3.422 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1COc1c(F)c(F)cc(F)c1F ZINC000821749250 607375704 /nfs/dbraw/zinc/37/57/04/607375704.db2.gz CIYWSAGBRORWHN-UHFFFAOYSA-N -1 3 354.263 3.011 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1COc1c(F)c(F)cc(F)c1F ZINC000821749250 607375705 /nfs/dbraw/zinc/37/57/05/607375705.db2.gz CIYWSAGBRORWHN-UHFFFAOYSA-N -1 3 354.263 3.011 20 0 FGADHM Clc1ccc(-c2nnn[n-]2)c(NCc2ccc(OCC3CC3)nc2)c1 ZINC000737571259 599422796 /nfs/dbraw/zinc/42/27/96/599422796.db2.gz YSUABQQZIHBRQM-UHFFFAOYSA-N -1 3 356.817 3.316 20 0 FGADHM Clc1ccc(-c2nn[n-]n2)c(NCc2ccc(OCC3CC3)nc2)c1 ZINC000737571259 599422797 /nfs/dbraw/zinc/42/27/97/599422797.db2.gz YSUABQQZIHBRQM-UHFFFAOYSA-N -1 3 356.817 3.316 20 0 FGADHM Fc1cccc(Oc2ccc(CNCc3ccc(-c4nnn[n-]4)o3)cn2)c1 ZINC000822790937 599423296 /nfs/dbraw/zinc/42/32/96/599423296.db2.gz ANVLAFHZKYCXPZ-UHFFFAOYSA-N -1 3 366.356 3.076 20 0 FGADHM Fc1cccc(Oc2ccc(CNCc3ccc(-c4nn[n-]n4)o3)cn2)c1 ZINC000822790937 599423299 /nfs/dbraw/zinc/42/32/99/599423299.db2.gz ANVLAFHZKYCXPZ-UHFFFAOYSA-N -1 3 366.356 3.076 20 0 FGADHM Brc1cccc(C2(NCc3ccc(-c4nnn[n-]4)o3)CCC2)c1 ZINC000819688380 599424743 /nfs/dbraw/zinc/42/47/43/599424743.db2.gz HXEOYQUXMUKBAN-UHFFFAOYSA-N -1 3 374.242 3.391 20 0 FGADHM Cc1nc(CNc2cc(Cl)ccc2-c2nnn[n-]2)nc2ccccc12 ZINC000737478733 599424857 /nfs/dbraw/zinc/42/48/57/599424857.db2.gz XIVGGPNYSFRSEU-UHFFFAOYSA-N -1 3 351.801 3.384 20 0 FGADHM Cc1nc(CNc2cc(Cl)ccc2-c2nn[n-]n2)nc2ccccc12 ZINC000737478733 599424858 /nfs/dbraw/zinc/42/48/58/599424858.db2.gz XIVGGPNYSFRSEU-UHFFFAOYSA-N -1 3 351.801 3.384 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1CSc1ncnc2sccc21 ZINC000821752357 607376583 /nfs/dbraw/zinc/37/65/83/607376583.db2.gz LXKGXMCZQXXHSP-UHFFFAOYSA-N -1 3 356.436 3.172 20 0 FGADHM CC(C)CC[C@H]1CCC[C@@H]1NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000820073920 599432509 /nfs/dbraw/zinc/43/25/09/599432509.db2.gz XBLGOQNBISZTNS-DYVFJYSZSA-N -1 3 374.464 3.410 20 0 FGADHM CC(C)CC[C@H]1CCC[C@@H]1NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000820073920 599432512 /nfs/dbraw/zinc/43/25/12/599432512.db2.gz XBLGOQNBISZTNS-DYVFJYSZSA-N -1 3 374.464 3.410 20 0 FGADHM CC[C@H](Cc1ccccc1)NC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820913034 599433138 /nfs/dbraw/zinc/43/31/38/599433138.db2.gz BYTNDXAJMLTCBD-RDTXWAMCSA-N -1 3 364.453 3.248 20 0 FGADHM CC[C@H](Cc1ccccc1)NC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820913034 599433145 /nfs/dbraw/zinc/43/31/45/599433145.db2.gz BYTNDXAJMLTCBD-RDTXWAMCSA-N -1 3 364.453 3.248 20 0 FGADHM CCCO[C@@H]1CCCN(c2cc(-c3nnn[n-]3)c3ccccc3n2)CC1 ZINC000736487391 599433646 /nfs/dbraw/zinc/43/36/46/599433646.db2.gz HBOCOFLQFAUMQJ-CQSZACIVSA-N -1 3 352.442 3.200 20 0 FGADHM CCCO[C@@H]1CCCN(c2cc(-c3nn[n-]n3)c3ccccc3n2)CC1 ZINC000736487391 599433647 /nfs/dbraw/zinc/43/36/47/599433647.db2.gz HBOCOFLQFAUMQJ-CQSZACIVSA-N -1 3 352.442 3.200 20 0 FGADHM CCC[C@@H]1CCCC[C@@H]1NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000821039155 599434259 /nfs/dbraw/zinc/43/42/59/599434259.db2.gz APARKMXQFYOCEF-WBMJQRKESA-N -1 3 360.437 3.164 20 0 FGADHM CCC[C@@H]1CCCC[C@@H]1NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000821039155 599434261 /nfs/dbraw/zinc/43/42/61/599434261.db2.gz APARKMXQFYOCEF-WBMJQRKESA-N -1 3 360.437 3.164 20 0 FGADHM CCCn1c(CNCc2cc(-c3nn[n-]n3)ccc2F)nc2ccccc21 ZINC000821142979 599456119 /nfs/dbraw/zinc/45/61/19/599456119.db2.gz NEMQKSWJASLZIW-UHFFFAOYSA-N -1 3 365.416 3.055 20 0 FGADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)N1CCC[C@@]2(CC=CCC2)C1 ZINC000823233423 599464311 /nfs/dbraw/zinc/46/43/11/599464311.db2.gz GYXXAXUHBMGLJR-IBGZPJMESA-N -1 3 370.432 3.038 20 0 FGADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)N1CCC[C@@]2(CC=CCC2)C1 ZINC000823233423 599464314 /nfs/dbraw/zinc/46/43/14/599464314.db2.gz GYXXAXUHBMGLJR-IBGZPJMESA-N -1 3 370.432 3.038 20 0 FGADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)N1CCC[C@@H]1c1cccs1 ZINC000823233000 599467350 /nfs/dbraw/zinc/46/73/50/599467350.db2.gz CYJVJYYCQNKGJW-CQSZACIVSA-N -1 3 372.429 3.114 20 0 FGADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)N1CCC[C@@H]1c1cccs1 ZINC000823233000 599467352 /nfs/dbraw/zinc/46/73/52/599467352.db2.gz CYJVJYYCQNKGJW-CQSZACIVSA-N -1 3 372.429 3.114 20 0 FGADHM Cc1nccc(Nc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)n1 ZINC000822472105 599474663 /nfs/dbraw/zinc/47/46/63/599474663.db2.gz OLTAPRZZMDRTNK-UHFFFAOYSA-N -1 3 359.393 3.288 20 0 FGADHM Cc1nccc(Nc2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)n1 ZINC000822472105 599474664 /nfs/dbraw/zinc/47/46/64/599474664.db2.gz OLTAPRZZMDRTNK-UHFFFAOYSA-N -1 3 359.393 3.288 20 0 FGADHM Cc1ccccc1CN(C)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822356415 599475097 /nfs/dbraw/zinc/47/50/97/599475097.db2.gz RLZIMARJPYATFJ-CQSZACIVSA-N -1 3 350.426 3.078 20 0 FGADHM Cc1ccccc1CN(C)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822356415 599475099 /nfs/dbraw/zinc/47/50/99/599475099.db2.gz RLZIMARJPYATFJ-CQSZACIVSA-N -1 3 350.426 3.078 20 0 FGADHM C[C@H](NC(=O)N(C)Cc1ccc(F)cc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000820340434 599482268 /nfs/dbraw/zinc/48/22/68/599482268.db2.gz KLSZXTOYLKXDIS-NSHDSACASA-N -1 3 372.379 3.048 20 0 FGADHM C[C@H](NC(=O)N(C)Cc1ccc(F)cc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000820340434 599482269 /nfs/dbraw/zinc/48/22/69/599482269.db2.gz KLSZXTOYLKXDIS-NSHDSACASA-N -1 3 372.379 3.048 20 0 FGADHM CC(C)CN(C(=O)CC[C@H]1CC[C@@H](C)O1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820081698 599493894 /nfs/dbraw/zinc/49/38/94/599493894.db2.gz RHWPMIFXDVSUBD-RHSMWYFYSA-N -1 3 357.458 3.203 20 0 FGADHM CC(C)CN(C(=O)CC[C@H]1CC[C@@H](C)O1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820081698 599493896 /nfs/dbraw/zinc/49/38/96/599493896.db2.gz RHWPMIFXDVSUBD-RHSMWYFYSA-N -1 3 357.458 3.203 20 0 FGADHM CCO[C@H]1CCCN(c2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)C1 ZINC000821367402 599495024 /nfs/dbraw/zinc/49/50/24/599495024.db2.gz INYNUTCYJLNIQG-LBPRGKRZSA-N -1 3 358.833 3.074 20 0 FGADHM CCO[C@H]1CCCN(c2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)C1 ZINC000821367402 599495025 /nfs/dbraw/zinc/49/50/25/599495025.db2.gz INYNUTCYJLNIQG-LBPRGKRZSA-N -1 3 358.833 3.074 20 0 FGADHM COc1ccc(CCCNc2ccc(F)cc2-c2nnn[n-]2)cc1OC ZINC000821790764 599496384 /nfs/dbraw/zinc/49/63/84/599496384.db2.gz SNSFYNYJWUKSDQ-UHFFFAOYSA-N -1 3 357.389 3.068 20 0 FGADHM COc1ccc(CCCNc2ccc(F)cc2-c2nn[n-]n2)cc1OC ZINC000821790764 599496387 /nfs/dbraw/zinc/49/63/87/599496387.db2.gz SNSFYNYJWUKSDQ-UHFFFAOYSA-N -1 3 357.389 3.068 20 0 FGADHM C[C@@H](CCc1ccc2c(c1)OCO2)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820252772 599502563 /nfs/dbraw/zinc/50/25/63/599502563.db2.gz DMXCRKWRBKWJIN-NSHDSACASA-N -1 3 355.373 3.168 20 0 FGADHM C[C@@H](CCc1ccc2c(c1)OCO2)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820252772 599502565 /nfs/dbraw/zinc/50/25/65/599502565.db2.gz DMXCRKWRBKWJIN-NSHDSACASA-N -1 3 355.373 3.168 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N[C@H](Cc1ccccc1)C1CC1 ZINC000738166721 599505848 /nfs/dbraw/zinc/50/58/48/599505848.db2.gz MGWLGXATPXYPCP-QGZVFWFLSA-N -1 3 366.400 3.149 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N[C@H](Cc1ccccc1)C1CC1 ZINC000738166721 599505849 /nfs/dbraw/zinc/50/58/49/599505849.db2.gz MGWLGXATPXYPCP-QGZVFWFLSA-N -1 3 366.400 3.149 20 0 FGADHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(N3CCC(n4ccnc4)CC3)c2c1 ZINC000822195427 599508423 /nfs/dbraw/zinc/50/84/23/599508423.db2.gz RHDAMBFXRKEOSI-UHFFFAOYSA-N -1 3 374.452 3.070 20 0 FGADHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(N3CCC(n4ccnc4)CC3)c2c1 ZINC000822195427 599508425 /nfs/dbraw/zinc/50/84/25/599508425.db2.gz RHDAMBFXRKEOSI-UHFFFAOYSA-N -1 3 374.452 3.070 20 0 FGADHM C[C@H](CCNc1c(Cl)cccc1-c1nnn[n-]1)NC(=O)OC(C)(C)C ZINC000820240545 599511137 /nfs/dbraw/zinc/51/11/37/599511137.db2.gz CIEIESBEZWVQHW-SNVBAGLBSA-N -1 3 366.853 3.235 20 0 FGADHM C[C@H](CCNc1c(Cl)cccc1-c1nn[n-]n1)NC(=O)OC(C)(C)C ZINC000820240545 599511138 /nfs/dbraw/zinc/51/11/38/599511138.db2.gz CIEIESBEZWVQHW-SNVBAGLBSA-N -1 3 366.853 3.235 20 0 FGADHM C[C@@H](NC(=O)/C=C/Sc1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820323281 599511578 /nfs/dbraw/zinc/51/15/78/599511578.db2.gz WYMOYGZXUCLQLP-OCHBPSSRSA-N -1 3 351.435 3.350 20 0 FGADHM C[C@@H](NC(=O)/C=C/Sc1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820323281 599511579 /nfs/dbraw/zinc/51/15/79/599511579.db2.gz WYMOYGZXUCLQLP-OCHBPSSRSA-N -1 3 351.435 3.350 20 0 FGADHM C[C@H](NC(=O)/C=C\Sc1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820323282 599511712 /nfs/dbraw/zinc/51/17/12/599511712.db2.gz WYMOYGZXUCLQLP-OEYXZAGESA-N -1 3 351.435 3.350 20 0 FGADHM C[C@H](NC(=O)/C=C\Sc1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820323282 599511714 /nfs/dbraw/zinc/51/17/14/599511714.db2.gz WYMOYGZXUCLQLP-OEYXZAGESA-N -1 3 351.435 3.350 20 0 FGADHM Clc1cccc(-c2nnn[n-]2)c1NCc1ccc2c(c1)OCCCO2 ZINC000822586382 599522085 /nfs/dbraw/zinc/52/20/85/599522085.db2.gz WNZHPFCQRMNGAZ-UHFFFAOYSA-N -1 3 357.801 3.294 20 0 FGADHM Clc1cccc(-c2nn[n-]n2)c1NCc1ccc2c(c1)OCCCO2 ZINC000822586382 599522087 /nfs/dbraw/zinc/52/20/87/599522087.db2.gz WNZHPFCQRMNGAZ-UHFFFAOYSA-N -1 3 357.801 3.294 20 0 FGADHM C[C@@H](SCC(=O)NCc1cccc(-c2nnn[n-]2)c1)c1cccs1 ZINC000736191011 599524279 /nfs/dbraw/zinc/52/42/79/599524279.db2.gz VGRDTCWMSWHTHQ-LLVKDONJSA-N -1 3 359.480 3.039 20 0 FGADHM C[C@@H](SCC(=O)NCc1cccc(-c2nn[n-]n2)c1)c1cccs1 ZINC000736191011 599524282 /nfs/dbraw/zinc/52/42/82/599524282.db2.gz VGRDTCWMSWHTHQ-LLVKDONJSA-N -1 3 359.480 3.039 20 0 FGADHM COc1ccc(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000821770456 599529838 /nfs/dbraw/zinc/52/98/38/599529838.db2.gz UKTWUYAIVSCPGE-SNVBAGLBSA-N -1 3 357.801 3.020 20 0 FGADHM COc1ccc(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000821770456 599529840 /nfs/dbraw/zinc/52/98/40/599529840.db2.gz UKTWUYAIVSCPGE-SNVBAGLBSA-N -1 3 357.801 3.020 20 0 FGADHM O=C(c1ccc(F)cc1)[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000738267677 599534736 /nfs/dbraw/zinc/53/47/36/599534736.db2.gz OEMLMNWTUCZADU-HNNXBMFYSA-N -1 3 351.385 3.105 20 0 FGADHM C[C@@H](Cc1ccccc1F)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000736058374 599541102 /nfs/dbraw/zinc/54/11/02/599541102.db2.gz LUMMATXECJHSND-JTQLQIEISA-N -1 3 359.792 3.477 20 0 FGADHM C[C@@H](Cc1ccccc1F)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000736058374 599541104 /nfs/dbraw/zinc/54/11/04/599541104.db2.gz LUMMATXECJHSND-JTQLQIEISA-N -1 3 359.792 3.477 20 0 FGADHM Cc1cc(C)cc(C2(C(=O)N[C@@H](C)c3cccc(-c4nnn[n-]4)c3)CC2)c1 ZINC000822196245 599542674 /nfs/dbraw/zinc/54/26/74/599542674.db2.gz AYVJCVOYGHETCY-HNNXBMFYSA-N -1 3 361.449 3.393 20 0 FGADHM Cc1cc(C)cc(C2(C(=O)N[C@@H](C)c3cccc(-c4nn[n-]n4)c3)CC2)c1 ZINC000822196245 599542677 /nfs/dbraw/zinc/54/26/77/599542677.db2.gz AYVJCVOYGHETCY-HNNXBMFYSA-N -1 3 361.449 3.393 20 0 FGADHM C[C@H](NC(=O)c1cccc(Br)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820396543 599544576 /nfs/dbraw/zinc/54/45/76/599544576.db2.gz GHRVYHFJMAMSSK-JTQLQIEISA-N -1 3 372.226 3.120 20 0 FGADHM C[C@H](NC(=O)c1cccc(Br)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820396543 599544574 /nfs/dbraw/zinc/54/45/74/599544574.db2.gz GHRVYHFJMAMSSK-JTQLQIEISA-N -1 3 372.226 3.120 20 0 FGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N1CCCC(C)(C)CC1 ZINC000820596385 599549635 /nfs/dbraw/zinc/54/96/35/599549635.db2.gz OVNFXWLXPQWPFX-UHFFFAOYSA-N -1 3 359.478 3.467 20 0 FGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N1CCCC(C)(C)CC1 ZINC000820596385 599549636 /nfs/dbraw/zinc/54/96/36/599549636.db2.gz OVNFXWLXPQWPFX-UHFFFAOYSA-N -1 3 359.478 3.467 20 0 FGADHM Cc1ncc(CCNc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)s1 ZINC000822467173 607383575 /nfs/dbraw/zinc/38/35/75/607383575.db2.gz JNNHJYZCWUXPDD-UHFFFAOYSA-N -1 3 354.361 3.305 20 0 FGADHM Cc1ccc(C[C@@H](C)N(C)C(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000737334451 599553697 /nfs/dbraw/zinc/55/36/97/599553697.db2.gz HNPCHDCEPXWZST-BFFYNSAMSA-N -1 3 361.449 3.278 20 0 FGADHM Cc1ccc(C[C@@H](C)N(C)C(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000737334451 599553698 /nfs/dbraw/zinc/55/36/98/599553698.db2.gz HNPCHDCEPXWZST-BFFYNSAMSA-N -1 3 361.449 3.278 20 0 FGADHM C[C@H]1CCN(C(=O)Nc2cccc(-c3nnn[n-]3)c2)[C@H](c2ccco2)C1 ZINC000820716743 599557575 /nfs/dbraw/zinc/55/75/75/599557575.db2.gz KTWPMLWVOBYNPO-WFASDCNBSA-N -1 3 352.398 3.465 20 0 FGADHM C[C@H]1CCN(C(=O)Nc2cccc(-c3nn[n-]n3)c2)[C@H](c2ccco2)C1 ZINC000820716743 599557578 /nfs/dbraw/zinc/55/75/78/599557578.db2.gz KTWPMLWVOBYNPO-WFASDCNBSA-N -1 3 352.398 3.465 20 0 FGADHM COc1cc(F)c([C@H](C)Nc2ccc(F)cc2-c2nnn[n-]2)cc1OC ZINC000821720159 599558889 /nfs/dbraw/zinc/55/88/89/599558889.db2.gz NTVJKTCNIAZJAK-VIFPVBQESA-N -1 3 361.352 3.335 20 0 FGADHM COc1cc(F)c([C@H](C)Nc2ccc(F)cc2-c2nn[n-]n2)cc1OC ZINC000821720159 599558890 /nfs/dbraw/zinc/55/88/90/599558890.db2.gz NTVJKTCNIAZJAK-VIFPVBQESA-N -1 3 361.352 3.335 20 0 FGADHM CN(Cc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)[C@@H]1CCc2ccccc21 ZINC000821617792 599562650 /nfs/dbraw/zinc/56/26/50/599562650.db2.gz BRADJEMEVXCJKW-QGZVFWFLSA-N -1 3 373.420 3.036 20 0 FGADHM Cc1cc(NC(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)no1 ZINC000737274040 599562841 /nfs/dbraw/zinc/56/28/41/599562841.db2.gz KFYLXPPDTJUHAD-UHFFFAOYSA-N -1 3 361.365 3.159 20 0 FGADHM CC(C)(C)CNC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735618535 599563688 /nfs/dbraw/zinc/56/36/88/599563688.db2.gz OIYZAGGPWDSAHV-UHFFFAOYSA-N -1 3 350.426 3.386 20 0 FGADHM COC(=O)Nc1ccc(CCNc2c(Cl)cccc2-c2nnn[n-]2)cc1 ZINC000821664964 599563819 /nfs/dbraw/zinc/56/38/19/599563819.db2.gz PYQVBFBYDFNCDS-UHFFFAOYSA-N -1 3 372.816 3.353 20 0 FGADHM COC(=O)Nc1ccc(CCNc2c(Cl)cccc2-c2nn[n-]n2)cc1 ZINC000821664964 599563821 /nfs/dbraw/zinc/56/38/21/599563821.db2.gz PYQVBFBYDFNCDS-UHFFFAOYSA-N -1 3 372.816 3.353 20 0 FGADHM CCn1cc(NC(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)cn1 ZINC000736722430 599564643 /nfs/dbraw/zinc/56/46/43/599564643.db2.gz MGGHWUPRGFTJRA-UHFFFAOYSA-N -1 3 374.408 3.079 20 0 FGADHM Cc1n[nH]c(C)c1NC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737452789 599565778 /nfs/dbraw/zinc/56/57/78/599565778.db2.gz LODQOPXACJRJLV-UHFFFAOYSA-N -1 3 374.408 3.203 20 0 FGADHM CCO[C@@H](C)c1nc(COC(=O)c2ccc(-c3nnn[n-]3)cc2C)cs1 ZINC000825577199 607384334 /nfs/dbraw/zinc/38/43/34/607384334.db2.gz UDOVDIFJPBQFBL-NSHDSACASA-N -1 3 373.438 3.086 20 0 FGADHM CCO[C@@H](C)c1nc(COC(=O)c2ccc(-c3nn[n-]n3)cc2C)cs1 ZINC000825577199 607384336 /nfs/dbraw/zinc/38/43/36/607384336.db2.gz UDOVDIFJPBQFBL-NSHDSACASA-N -1 3 373.438 3.086 20 0 FGADHM COC[C@@H](Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)c1ccccc1 ZINC000821683739 599578645 /nfs/dbraw/zinc/57/86/45/599578645.db2.gz JIZCXRDEBVTHCM-GFCCVEGCSA-N -1 3 364.331 3.080 20 0 FGADHM COC[C@@H](Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)c1ccccc1 ZINC000821683739 599578647 /nfs/dbraw/zinc/57/86/47/599578647.db2.gz JIZCXRDEBVTHCM-GFCCVEGCSA-N -1 3 364.331 3.080 20 0 FGADHM Cc1cccc2c(CCNc3nc4c(cc3-c3nnn[n-]3)CCC4)c[nH]c21 ZINC000822332031 599579918 /nfs/dbraw/zinc/57/99/18/599579918.db2.gz KVRCUPJRYHQTHZ-UHFFFAOYSA-N -1 3 359.437 3.195 20 0 FGADHM Cc1cccc2c(CCNc3nc4c(cc3-c3nn[n-]n3)CCC4)c[nH]c21 ZINC000822332031 599579919 /nfs/dbraw/zinc/57/99/19/599579919.db2.gz KVRCUPJRYHQTHZ-UHFFFAOYSA-N -1 3 359.437 3.195 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCc2cccc(F)c2[C@@H]1C ZINC000737290817 599611054 /nfs/dbraw/zinc/61/10/54/599611054.db2.gz GJLKVRMBMJWLFB-LBPRGKRZSA-N -1 3 366.400 3.465 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCc2cccc(F)c2[C@@H]1C ZINC000737290817 599611056 /nfs/dbraw/zinc/61/10/56/599611056.db2.gz GJLKVRMBMJWLFB-LBPRGKRZSA-N -1 3 366.400 3.465 20 0 FGADHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)[C@@H](C)c1ccsc1 ZINC000736037135 599617735 /nfs/dbraw/zinc/61/77/35/599617735.db2.gz JOVANRSYMMKGHA-NEPJUHHUSA-N -1 3 358.423 3.042 20 0 FGADHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)[C@@H](C)c1ccsc1 ZINC000736037135 599617736 /nfs/dbraw/zinc/61/77/36/599617736.db2.gz JOVANRSYMMKGHA-NEPJUHHUSA-N -1 3 358.423 3.042 20 0 FGADHM CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)OCc1ccccc1-c1nnn[n-]1 ZINC000820938700 599620388 /nfs/dbraw/zinc/62/03/88/599620388.db2.gz MEEGOTNWQVLXSU-KMFMINBZSA-N -1 3 358.442 3.284 20 0 FGADHM CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)OCc1ccccc1-c1nn[n-]n1 ZINC000820938700 599620389 /nfs/dbraw/zinc/62/03/89/599620389.db2.gz MEEGOTNWQVLXSU-KMFMINBZSA-N -1 3 358.442 3.284 20 0 FGADHM C[C@@H](OC(=O)CCC(=O)c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820487281 599621196 /nfs/dbraw/zinc/62/11/96/599621196.db2.gz GCYDMGSOOCWOQD-CYBMUJFWSA-N -1 3 350.378 3.134 20 0 FGADHM C[C@@H](OC(=O)CCC(=O)c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820487281 599621197 /nfs/dbraw/zinc/62/11/97/599621197.db2.gz GCYDMGSOOCWOQD-CYBMUJFWSA-N -1 3 350.378 3.134 20 0 FGADHM C[C@@H](CCc1ccccc1F)C(=O)OCc1ccccc1-c1nnn[n-]1 ZINC000820252764 599621280 /nfs/dbraw/zinc/62/12/80/599621280.db2.gz DHPIULJKDXYRRM-ZDUSSCGKSA-N -1 3 354.385 3.318 20 0 FGADHM C[C@@H](CCc1ccccc1F)C(=O)OCc1ccccc1-c1nn[n-]n1 ZINC000820252764 599621281 /nfs/dbraw/zinc/62/12/81/599621281.db2.gz DHPIULJKDXYRRM-ZDUSSCGKSA-N -1 3 354.385 3.318 20 0 FGADHM Cc1ccc(Br)cc1C(=O)OCc1cccc(-c2nnn[n-]2)c1 ZINC000822225108 599623915 /nfs/dbraw/zinc/62/39/15/599623915.db2.gz ORHCURUYFFTDED-UHFFFAOYSA-N -1 3 373.210 3.295 20 0 FGADHM Cc1ccc(Br)cc1C(=O)OCc1cccc(-c2nn[n-]n2)c1 ZINC000822225108 599623916 /nfs/dbraw/zinc/62/39/16/599623916.db2.gz ORHCURUYFFTDED-UHFFFAOYSA-N -1 3 373.210 3.295 20 0 FGADHM CCO[C@@H]1C[C@H](OC(=O)c2cccc(-c3nnn[n-]3)c2)C12CCCCC2 ZINC000821367233 599626209 /nfs/dbraw/zinc/62/62/09/599626209.db2.gz DGFLABZFOKBSPX-CVEARBPZSA-N -1 3 356.426 3.151 20 0 FGADHM CCO[C@@H]1C[C@H](OC(=O)c2cccc(-c3nn[n-]n3)c2)C12CCCCC2 ZINC000821367233 599626210 /nfs/dbraw/zinc/62/62/10/599626210.db2.gz DGFLABZFOKBSPX-CVEARBPZSA-N -1 3 356.426 3.151 20 0 FGADHM Cc1cncc(C(=O)N(Cc2ccco2)c2ccccc2-c2nnn[n-]2)c1 ZINC000822399649 599630047 /nfs/dbraw/zinc/63/00/47/599630047.db2.gz LWPNIWRJEUIQQR-UHFFFAOYSA-N -1 3 360.377 3.010 20 0 FGADHM Cc1cncc(C(=O)N(Cc2ccco2)c2ccccc2-c2nn[n-]n2)c1 ZINC000822399649 599630048 /nfs/dbraw/zinc/63/00/48/599630048.db2.gz LWPNIWRJEUIQQR-UHFFFAOYSA-N -1 3 360.377 3.010 20 0 FGADHM C[C@@H](C(=O)N(Cc1ccco1)c1ccccc1-c1nnn[n-]1)C(F)(F)F ZINC000819855813 599630294 /nfs/dbraw/zinc/63/02/94/599630294.db2.gz FSCHPNHABYBMJG-JTQLQIEISA-N -1 3 365.315 3.191 20 0 FGADHM C[C@@H](C(=O)N(Cc1ccco1)c1ccccc1-c1nn[n-]n1)C(F)(F)F ZINC000819855813 599630295 /nfs/dbraw/zinc/63/02/95/599630295.db2.gz FSCHPNHABYBMJG-JTQLQIEISA-N -1 3 365.315 3.191 20 0 FGADHM CCOc1c(F)cccc1C(=O)Nc1sc(CC)cc1-c1nnn[n-]1 ZINC000821389184 599630481 /nfs/dbraw/zinc/63/04/81/599630481.db2.gz IETOOYDQIZJBIR-UHFFFAOYSA-N -1 3 361.402 3.281 20 0 FGADHM CCOc1c(F)cccc1C(=O)Nc1sc(CC)cc1-c1nn[n-]n1 ZINC000821389184 599630482 /nfs/dbraw/zinc/63/04/82/599630482.db2.gz IETOOYDQIZJBIR-UHFFFAOYSA-N -1 3 361.402 3.281 20 0 FGADHM O=C(Nc1sc(-c2ccccc2)cc1-c1nnn[n-]1)[C@@H]1CCCS1 ZINC000823383678 599630822 /nfs/dbraw/zinc/63/08/22/599630822.db2.gz XMIMKEPYWYTMKI-LBPRGKRZSA-N -1 3 357.464 3.429 20 0 FGADHM O=C(Nc1sc(-c2ccccc2)cc1-c1nn[n-]n1)[C@@H]1CCCS1 ZINC000823383678 599630823 /nfs/dbraw/zinc/63/08/23/599630823.db2.gz XMIMKEPYWYTMKI-LBPRGKRZSA-N -1 3 357.464 3.429 20 0 FGADHM Cc1ccc(CC(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cc1 ZINC000822234944 599633598 /nfs/dbraw/zinc/63/35/98/599633598.db2.gz MKZYWXDPKVUDSE-UHFFFAOYSA-N -1 3 361.327 3.375 20 0 FGADHM Cc1ccc(CC(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cc1 ZINC000822234944 599633599 /nfs/dbraw/zinc/63/35/99/599633599.db2.gz MKZYWXDPKVUDSE-UHFFFAOYSA-N -1 3 361.327 3.375 20 0 FGADHM CCN(C(=O)c1ccncc1Cl)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821159314 599648705 /nfs/dbraw/zinc/64/87/05/599648705.db2.gz ARAAWXHZUDCPDI-NSHDSACASA-N -1 3 356.817 3.138 20 0 FGADHM CCN(C(=O)c1ccncc1Cl)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821159314 599648706 /nfs/dbraw/zinc/64/87/06/599648706.db2.gz ARAAWXHZUDCPDI-NSHDSACASA-N -1 3 356.817 3.138 20 0 FGADHM CCC(C)(C)CC(=O)Nc1c(C)c(C)nn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000820847411 599650838 /nfs/dbraw/zinc/65/08/38/599650838.db2.gz FBCSXOZOVTZMSL-UHFFFAOYSA-N -1 3 367.457 3.434 20 0 FGADHM CCCC[C@@H](CC)C(=O)OCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000821039435 599656771 /nfs/dbraw/zinc/65/67/71/599656771.db2.gz CBNPCOLNDBGGIM-GFCCVEGCSA-N -1 3 370.413 3.176 20 0 FGADHM CCCC[C@@H](CC)C(=O)OCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000821039435 599656772 /nfs/dbraw/zinc/65/67/72/599656772.db2.gz CBNPCOLNDBGGIM-GFCCVEGCSA-N -1 3 370.413 3.176 20 0 FGADHM CC(C)(C)CCCC(=O)OCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000819907122 599660513 /nfs/dbraw/zinc/66/05/13/599660513.db2.gz MNJVZOBZAYTWQG-UHFFFAOYSA-N -1 3 370.413 3.176 20 0 FGADHM CC(C)(C)CCCC(=O)OCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000819907122 599660514 /nfs/dbraw/zinc/66/05/14/599660514.db2.gz MNJVZOBZAYTWQG-UHFFFAOYSA-N -1 3 370.413 3.176 20 0 FGADHM CCCCCC[C@@H](C)C(=O)O[C@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000821048673 599664977 /nfs/dbraw/zinc/66/49/77/599664977.db2.gz FNOZNXQDKBCHQC-ZIAGYGMSSA-N -1 3 373.457 3.343 20 0 FGADHM CCCCCC[C@@H](C)C(=O)O[C@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000821048673 599664978 /nfs/dbraw/zinc/66/49/78/599664978.db2.gz FNOZNXQDKBCHQC-ZIAGYGMSSA-N -1 3 373.457 3.343 20 0 FGADHM C[C@@H](C(=O)OCCOc1cccc(-c2nnn[n-]2)c1)c1cccc(Cl)c1 ZINC000819883792 599665708 /nfs/dbraw/zinc/66/57/08/599665708.db2.gz NMVGYAAMPOMBPS-GFCCVEGCSA-N -1 3 372.812 3.246 20 0 FGADHM C[C@@H](C(=O)OCCOc1cccc(-c2nn[n-]n2)c1)c1cccc(Cl)c1 ZINC000819883792 599665709 /nfs/dbraw/zinc/66/57/09/599665709.db2.gz NMVGYAAMPOMBPS-GFCCVEGCSA-N -1 3 372.812 3.246 20 0 FGADHM CC(C)[C@@H]1CCCC[C@H]1NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000820038097 599673716 /nfs/dbraw/zinc/67/37/16/599673716.db2.gz KPIPUCAUOKATBG-GOEBONIOSA-N -1 3 360.437 3.020 20 0 FGADHM CC(C)[C@@H]1CCCC[C@H]1NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000820038097 599673717 /nfs/dbraw/zinc/67/37/17/599673717.db2.gz KPIPUCAUOKATBG-GOEBONIOSA-N -1 3 360.437 3.020 20 0 FGADHM CO[C@H](CNc1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21)C(C)(C)C ZINC000821677181 599687107 /nfs/dbraw/zinc/68/71/07/599687107.db2.gz QMHKZEARTTXEPA-CYBMUJFWSA-N -1 3 362.384 3.166 20 0 FGADHM CO[C@H](CNc1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21)C(C)(C)C ZINC000821677181 599687108 /nfs/dbraw/zinc/68/71/08/599687108.db2.gz QMHKZEARTTXEPA-CYBMUJFWSA-N -1 3 362.384 3.166 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)CCSc1ccccc1F ZINC000821699153 599697328 /nfs/dbraw/zinc/69/73/28/599697328.db2.gz DVPBBZPSLSJVSQ-UHFFFAOYSA-N -1 3 374.397 3.102 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)CCSc1ccccc1F ZINC000821699153 599697329 /nfs/dbraw/zinc/69/73/29/599697329.db2.gz DVPBBZPSLSJVSQ-UHFFFAOYSA-N -1 3 374.397 3.102 20 0 FGADHM C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2ccccc2NC(=O)[O-])C1 ZINC000736724754 599709102 /nfs/dbraw/zinc/70/91/02/599709102.db2.gz OXXBDOLFFFJFEZ-GDBMZVCRSA-N -1 3 353.422 3.342 20 0 FGADHM CC(C)Oc1ccc(NC(=O)C[C@H](C)c2ccncc2)cc1-c1nnn[n-]1 ZINC000820161613 607401854 /nfs/dbraw/zinc/40/18/54/607401854.db2.gz YNOPWEPFZNQFKN-ZDUSSCGKSA-N -1 3 366.425 3.181 20 0 FGADHM CC(C)Oc1ccc(NC(=O)C[C@H](C)c2ccncc2)cc1-c1nn[n-]n1 ZINC000820161613 607401856 /nfs/dbraw/zinc/40/18/56/607401856.db2.gz YNOPWEPFZNQFKN-ZDUSSCGKSA-N -1 3 366.425 3.181 20 0 FGADHM CC[C@@H](OC1CCCCC1)C(=O)OCc1ccc(-c2nnn[n-]2)cc1C ZINC000825153602 607403668 /nfs/dbraw/zinc/40/36/68/607403668.db2.gz ISRYCYHNFPWQDT-QGZVFWFLSA-N -1 3 358.442 3.346 20 0 FGADHM CC[C@@H](OC1CCCCC1)C(=O)OCc1ccc(-c2nn[n-]n2)cc1C ZINC000825153602 607403669 /nfs/dbraw/zinc/40/36/69/607403669.db2.gz ISRYCYHNFPWQDT-QGZVFWFLSA-N -1 3 358.442 3.346 20 0 FGADHM Cc1cncc(C=CC(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c1 ZINC000822399170 607404688 /nfs/dbraw/zinc/40/46/88/607404688.db2.gz BCJAPDGRZJFWRG-DJWKRKHSSA-N -1 3 374.326 3.241 20 0 FGADHM Cc1cncc(C=CC(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c1 ZINC000822399170 607404689 /nfs/dbraw/zinc/40/46/89/607404689.db2.gz BCJAPDGRZJFWRG-DJWKRKHSSA-N -1 3 374.326 3.241 20 0 FGADHM CC(=O)c1csc(C(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)c1 ZINC000819845245 607406157 /nfs/dbraw/zinc/40/61/57/607406157.db2.gz SILRALHEHSCNQR-UHFFFAOYSA-N -1 3 371.422 3.170 20 0 FGADHM CC(=O)c1csc(C(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)c1 ZINC000819845245 607406159 /nfs/dbraw/zinc/40/61/59/607406159.db2.gz SILRALHEHSCNQR-UHFFFAOYSA-N -1 3 371.422 3.170 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)Cc1c(F)cccc1Cl ZINC000826254179 607408639 /nfs/dbraw/zinc/40/86/39/607408639.db2.gz YQXQDGNWQQNONU-UHFFFAOYSA-N -1 3 360.776 3.254 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)Cc1c(F)cccc1Cl ZINC000826254179 607408641 /nfs/dbraw/zinc/40/86/41/607408641.db2.gz YQXQDGNWQQNONU-UHFFFAOYSA-N -1 3 360.776 3.254 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)CSc1ccc(F)cc1 ZINC000826253860 607408676 /nfs/dbraw/zinc/40/86/76/607408676.db2.gz IFFGMQMFWYYISY-UHFFFAOYSA-N -1 3 358.398 3.150 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)CSc1ccc(F)cc1 ZINC000826253860 607408678 /nfs/dbraw/zinc/40/86/78/607408678.db2.gz IFFGMQMFWYYISY-UHFFFAOYSA-N -1 3 358.398 3.150 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)c1nc(Cl)ccc1Cl ZINC000826254497 607411862 /nfs/dbraw/zinc/41/18/62/607411862.db2.gz OQFWZVOQWROZKJ-UHFFFAOYSA-N -1 3 364.192 3.234 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)c1nc(Cl)ccc1Cl ZINC000826254497 607411864 /nfs/dbraw/zinc/41/18/64/607411864.db2.gz OQFWZVOQWROZKJ-UHFFFAOYSA-N -1 3 364.192 3.234 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)C(C)(C)c1ccccc1F ZINC000821736438 607416244 /nfs/dbraw/zinc/41/62/44/607416244.db2.gz JUWXQOSTUSSAPF-UHFFFAOYSA-N -1 3 370.384 3.035 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)C(C)(C)c1ccccc1F ZINC000821736438 607416247 /nfs/dbraw/zinc/41/62/47/607416247.db2.gz JUWXQOSTUSSAPF-UHFFFAOYSA-N -1 3 370.384 3.035 20 0 FGADHM O=C(C[C@@H]1CCc2ccccc2C1)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826404776 607416553 /nfs/dbraw/zinc/41/65/53/607416553.db2.gz LDAHIRRCFCKXBH-OAHLLOKOSA-N -1 3 373.460 3.167 20 0 FGADHM O=C(C[C@@H]1CCc2ccccc2C1)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826404776 607416555 /nfs/dbraw/zinc/41/65/55/607416555.db2.gz LDAHIRRCFCKXBH-OAHLLOKOSA-N -1 3 373.460 3.167 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)C(C)(C)c1cccc(F)c1 ZINC000821736175 607417897 /nfs/dbraw/zinc/41/78/97/607417897.db2.gz DZDKICWSLQMHKH-UHFFFAOYSA-N -1 3 370.384 3.035 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)C(C)(C)c1cccc(F)c1 ZINC000821736175 607417899 /nfs/dbraw/zinc/41/78/99/607417899.db2.gz DZDKICWSLQMHKH-UHFFFAOYSA-N -1 3 370.384 3.035 20 0 FGADHM Cc1ccc2[nH]c(C(=O)NC3(c4cccc(-c5nnn[n-]5)c4)CC3)cc2c1C ZINC000826293261 607419812 /nfs/dbraw/zinc/41/98/12/607419812.db2.gz ILULLPQOUHFVAG-UHFFFAOYSA-N -1 3 372.432 3.384 20 0 FGADHM Cc1ccc2[nH]c(C(=O)NC3(c4cccc(-c5nn[n-]n5)c4)CC3)cc2c1C ZINC000826293261 607419813 /nfs/dbraw/zinc/41/98/13/607419813.db2.gz ILULLPQOUHFVAG-UHFFFAOYSA-N -1 3 372.432 3.384 20 0 FGADHM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826316351 607423896 /nfs/dbraw/zinc/42/38/96/607423896.db2.gz KYEXGOORTQHDPL-CABCVRRESA-N -1 3 365.462 3.146 20 0 FGADHM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826316351 607423897 /nfs/dbraw/zinc/42/38/97/607423897.db2.gz KYEXGOORTQHDPL-CABCVRRESA-N -1 3 365.462 3.146 20 0 FGADHM CN(C(=O)OC(C)(C)C)C1CCN([C@H](C(=O)[O-])c2ccc(F)cc2)CC1 ZINC000737337241 600168218 /nfs/dbraw/zinc/16/82/18/600168218.db2.gz WGZWCOUDRYHDLL-INIZCTEOSA-N -1 3 366.433 3.283 20 0 FGADHM CC(C)Oc1ccc(NC(=O)N2CCC[C@H]2C(C)C)cc1-c1nnn[n-]1 ZINC000820166355 607428008 /nfs/dbraw/zinc/42/80/08/607428008.db2.gz WOGCWWZBPBNJNQ-HNNXBMFYSA-N -1 3 358.446 3.306 20 0 FGADHM CC(C)Oc1ccc(NC(=O)N2CCC[C@H]2C(C)C)cc1-c1nn[n-]n1 ZINC000820166355 607428009 /nfs/dbraw/zinc/42/80/09/607428009.db2.gz WOGCWWZBPBNJNQ-HNNXBMFYSA-N -1 3 358.446 3.306 20 0 FGADHM Cc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)cc2C)c(Br)c1 ZINC000826290825 607428924 /nfs/dbraw/zinc/42/89/24/607428924.db2.gz BFVLOWFGCQAZEG-UHFFFAOYSA-N -1 3 372.226 3.498 20 0 FGADHM Cc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)cc2C)c(Br)c1 ZINC000826290825 607428926 /nfs/dbraw/zinc/42/89/26/607428926.db2.gz BFVLOWFGCQAZEG-UHFFFAOYSA-N -1 3 372.226 3.498 20 0 FGADHM Cc1cc(CN[C@@H]2CCCc3nc(C)ncc32)cc(C)c1OCC(=O)[O-] ZINC000738887874 600227246 /nfs/dbraw/zinc/22/72/46/600227246.db2.gz FABYYWRZVYAEDD-QGZVFWFLSA-N -1 3 355.438 3.032 20 0 FGADHM O=C([O-])c1cccc(NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)c1O ZINC000740227962 600234636 /nfs/dbraw/zinc/23/46/36/600234636.db2.gz GWQVGTPZXKKLEH-CQSZACIVSA-N -1 3 372.396 3.080 20 0 FGADHM Cc1ccc(F)c2c1CCCN2C(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000826245321 607432347 /nfs/dbraw/zinc/43/23/47/607432347.db2.gz URMATHWOZULIRW-UHFFFAOYSA-N -1 3 351.385 3.216 20 0 FGADHM Cc1ccc(F)c2c1CCCN2C(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000826245321 607432348 /nfs/dbraw/zinc/43/23/48/607432348.db2.gz URMATHWOZULIRW-UHFFFAOYSA-N -1 3 351.385 3.216 20 0 FGADHM O=C([O-])[C@@H]1CN(C(=O)c2cccc(CN3CCCC3)c2)c2ccccc21 ZINC000739613099 600280020 /nfs/dbraw/zinc/28/00/20/600280020.db2.gz LDPCKUAUFLSJHJ-GOSISDBHSA-N -1 3 350.418 3.111 20 0 FGADHM CN(CCNC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1)Cc1ccccc1 ZINC000387247107 600286434 /nfs/dbraw/zinc/28/64/34/600286434.db2.gz JUBNMQPBUKGRAH-UHFFFAOYSA-N -1 3 361.829 3.292 20 0 FGADHM C[C@@H](CN(C)[C@@H](C)C(=O)Nc1ccccc1Cc1ccccc1)C(=O)[O-] ZINC000736571582 600365426 /nfs/dbraw/zinc/36/54/26/600365426.db2.gz KSEQYKFZZRZVGY-HOTGVXAUSA-N -1 3 354.450 3.257 20 0 FGADHM CC(C)c1ccc(OCCC(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000824347597 607439661 /nfs/dbraw/zinc/43/96/61/607439661.db2.gz GKPZNYJHGWMTHB-UHFFFAOYSA-N -1 3 365.437 3.422 20 0 FGADHM CC(C)c1ccc(OCCC(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000824347597 607439662 /nfs/dbraw/zinc/43/96/62/607439662.db2.gz GKPZNYJHGWMTHB-UHFFFAOYSA-N -1 3 365.437 3.422 20 0 FGADHM C[C@@H](CNC(=O)Nc1cc(C(=O)[O-])ccc1F)N(C)Cc1ccccc1 ZINC000390558876 600378478 /nfs/dbraw/zinc/37/84/78/600378478.db2.gz RIPJQUMAIWADIY-ZDUSSCGKSA-N -1 3 359.401 3.166 20 0 FGADHM O=C([O-])[C@H](c1ccccc1)N1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000738526490 600398524 /nfs/dbraw/zinc/39/85/24/600398524.db2.gz SUSRUUHGCWWVDD-SFHVURJKSA-N -1 3 372.852 3.314 20 0 FGADHM CC(C)COc1ccc(CC(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000824272152 607441702 /nfs/dbraw/zinc/44/17/02/607441702.db2.gz URXXVHATIALLNH-UHFFFAOYSA-N -1 3 365.437 3.107 20 0 FGADHM CC(C)COc1ccc(CC(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000824272152 607441703 /nfs/dbraw/zinc/44/17/03/607441703.db2.gz URXXVHATIALLNH-UHFFFAOYSA-N -1 3 365.437 3.107 20 0 FGADHM Cc1oc(-c2ccccc2)nc1C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826340303 607442926 /nfs/dbraw/zinc/44/29/26/607442926.db2.gz RLJSDHPMLGBYSS-UHFFFAOYSA-N -1 3 360.377 3.107 20 0 FGADHM Cc1oc(-c2ccccc2)nc1C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826340303 607442928 /nfs/dbraw/zinc/44/29/28/607442928.db2.gz RLJSDHPMLGBYSS-UHFFFAOYSA-N -1 3 360.377 3.107 20 0 FGADHM COc1cccc(SCC(=O)OCc2ccc(-c3nnn[n-]3)cc2C)c1 ZINC000826217640 607443530 /nfs/dbraw/zinc/44/35/30/607443530.db2.gz WFYGQHRXNVFKSX-UHFFFAOYSA-N -1 3 370.434 3.019 20 0 FGADHM COc1cccc(SCC(=O)OCc2ccc(-c3nn[n-]n3)cc2C)c1 ZINC000826217640 607443531 /nfs/dbraw/zinc/44/35/31/607443531.db2.gz WFYGQHRXNVFKSX-UHFFFAOYSA-N -1 3 370.434 3.019 20 0 FGADHM CC(C)N(CCC(=O)[O-])CC(=O)N(Cc1cccc(F)c1)C(C)(C)C ZINC000736466285 600446275 /nfs/dbraw/zinc/44/62/75/600446275.db2.gz UWQFRCDJZMLFGQ-UHFFFAOYSA-N -1 3 352.450 3.138 20 0 FGADHM Cc1ccc([C@H](C)N[C@@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)cc1C ZINC000738552064 600523321 /nfs/dbraw/zinc/52/33/21/600523321.db2.gz LSXOAMRVMZQWGG-HOTGVXAUSA-N -1 3 354.450 3.357 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)CCC(C)(C)C(C)=O ZINC000821099985 607452355 /nfs/dbraw/zinc/45/23/55/607452355.db2.gz RGCGDQUFDHZZKI-UHFFFAOYSA-N -1 3 357.458 3.001 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)CCC(C)(C)C(C)=O ZINC000821099985 607452357 /nfs/dbraw/zinc/45/23/57/607452357.db2.gz RGCGDQUFDHZZKI-UHFFFAOYSA-N -1 3 357.458 3.001 20 0 FGADHM O=C(NCc1cc2ccccc2o1)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826440145 607454269 /nfs/dbraw/zinc/45/42/69/607454269.db2.gz AJQNMMZPRPZJMH-UHFFFAOYSA-N -1 3 374.404 3.101 20 0 FGADHM O=C(NCc1cc2ccccc2o1)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826440145 607454270 /nfs/dbraw/zinc/45/42/70/607454270.db2.gz AJQNMMZPRPZJMH-UHFFFAOYSA-N -1 3 374.404 3.101 20 0 FGADHM CCc1ccc([C@H](C)N[C@H]2CCN(c3sccc3C(=O)[O-])C2=O)cc1 ZINC000830237024 600690993 /nfs/dbraw/zinc/69/09/93/600690993.db2.gz GDHRNCYOFVBLGZ-LRDDRELGSA-N -1 3 358.463 3.465 20 0 FGADHM C[C@@H](c1ccc(C(=O)[O-])o1)N1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000736806059 600714976 /nfs/dbraw/zinc/71/49/76/600714976.db2.gz HHANNDSCGCHBFA-FRRDWIJNSA-N -1 3 352.431 3.274 20 0 FGADHM C[C@H]1CN(Cc2ccc(F)cc2C(=O)[O-])CC[C@@H]1NC(=O)OC(C)(C)C ZINC000736812522 600715474 /nfs/dbraw/zinc/71/54/74/600715474.db2.gz BCFPWEGGHXKFLI-LRDDRELGSA-N -1 3 366.433 3.259 20 0 FGADHM O=C([O-])N1CCC[C@H](NCc2cc(Cl)ccc2OC[C@H]2CCCO2)C1 ZINC000833279157 600762757 /nfs/dbraw/zinc/76/27/57/600762757.db2.gz IIWZGSCERZCQNQ-JKSUJKDBSA-N -1 3 368.861 3.130 20 0 FGADHM CC[C@@](C)(NCc1cc(-c2nn[n-]n2)ccc1OC)c1nc(C)cs1 ZINC000825044715 607469445 /nfs/dbraw/zinc/46/94/45/607469445.db2.gz STAIDKBXHMHKRM-QGZVFWFLSA-N -1 3 358.471 3.055 20 0 FGADHM C[C@H](C(=O)N[C@H](CC(=O)[O-])c1cccc(Cl)c1)N1CCCCCC1 ZINC000825995161 600813238 /nfs/dbraw/zinc/81/32/38/600813238.db2.gz NSYSUFRSQVGFGO-CZUORRHYSA-N -1 3 352.862 3.237 20 0 FGADHM CC(C)C1CCN(CC2=C(C(=O)[O-])[C@H](c3ccccc3)NC(=O)N2C)CC1 ZINC000826735351 600834496 /nfs/dbraw/zinc/83/44/96/600834496.db2.gz FPZSUWSBAQDDIG-IBGZPJMESA-N -1 3 371.481 3.089 20 0 FGADHM COC(=O)[C@H]1CCCN(Cc2c(C(=O)[O-])sc3cccc(F)c32)C1 ZINC000737586211 600843148 /nfs/dbraw/zinc/84/31/48/600843148.db2.gz WPBAHTVTVYXCHX-JTQLQIEISA-N -1 3 351.399 3.124 20 0 FGADHM C[C@@H]1C[C@@H]1c1ccc(CN(Cc2ccnc(-c3nnn[n-]3)c2)C2CC2)o1 ZINC000824899474 607476082 /nfs/dbraw/zinc/47/60/82/607476082.db2.gz KFDTUITVFYBHNK-WBMJQRKESA-N -1 3 350.426 3.143 20 0 FGADHM C[C@@H]1C[C@@H]1c1ccc(CN(Cc2ccnc(-c3nn[n-]n3)c2)C2CC2)o1 ZINC000824899474 607476084 /nfs/dbraw/zinc/47/60/84/607476084.db2.gz KFDTUITVFYBHNK-WBMJQRKESA-N -1 3 350.426 3.143 20 0 FGADHM CCn1c2ccccc2nc1[C@H](C)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000821563756 607481771 /nfs/dbraw/zinc/48/17/71/607481771.db2.gz DNTNUJVABZOSBV-LBPRGKRZSA-N -1 3 365.416 3.226 20 0 FGADHM CCn1c2ccccc2nc1[C@H](C)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000821563756 607481773 /nfs/dbraw/zinc/48/17/73/607481773.db2.gz DNTNUJVABZOSBV-LBPRGKRZSA-N -1 3 365.416 3.226 20 0 FGADHM COC[C@](C)(CC(=O)[O-])NCc1cc(=O)oc2cc(C)c(C(C)C)cc12 ZINC000831578435 601135444 /nfs/dbraw/zinc/13/54/44/601135444.db2.gz NWYXCXMCCMYFRF-FQEVSTJZSA-N -1 3 361.438 3.194 20 0 FGADHM C[C@H](C(=O)[O-])[C@@H](NCC(=O)NCc1ccc(Cl)cc1)c1ccccc1 ZINC000826055137 601201909 /nfs/dbraw/zinc/20/19/09/601201909.db2.gz WDOYLBBIGUNOBU-SCLBCKFNSA-N -1 3 360.841 3.008 20 0 FGADHM C[C@@H](C(=O)[O-])[C@H](NCC(=O)Nc1cc(Cl)ccc1F)c1ccccc1 ZINC000826054556 601203873 /nfs/dbraw/zinc/20/38/73/601203873.db2.gz OHDJPNQOPORFTP-DIFFPNOSSA-N -1 3 364.804 3.469 20 0 FGADHM CCc1oc(C(=O)[O-])cc1COC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000830383797 601467021 /nfs/dbraw/zinc/46/70/21/601467021.db2.gz FQCBLBVLEUBFHD-UHFFFAOYSA-N -1 3 371.433 3.496 20 0 FGADHM C[C@@H]1CN([C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)C[C@H]1C(=O)[O-] ZINC000263388587 601506116 /nfs/dbraw/zinc/50/61/16/601506116.db2.gz YIYBEVPLXXGHEN-FSPWUOQZSA-N -1 3 356.397 3.158 20 0 FGADHM Fc1ccc(F)c(CN(Cc2ccnc(-c3nnn[n-]3)c2)C2CCCC2)c1 ZINC000826374615 607513344 /nfs/dbraw/zinc/51/33/44/607513344.db2.gz GAHDFOVXRDEOCY-UHFFFAOYSA-N -1 3 370.407 3.485 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1CN(C)[C@H](C)c1cc(F)ccc1F ZINC000826181766 607517028 /nfs/dbraw/zinc/51/70/28/607517028.db2.gz NAQGCLAWAVUTFY-LLVKDONJSA-N -1 3 359.380 3.347 20 0 FGADHM CCCCCCNC(=O)[C@H]1CCCN(Cc2ccc(C(=O)[O-])c(F)c2)C1 ZINC000829357692 601625263 /nfs/dbraw/zinc/62/52/63/601625263.db2.gz UJGCMYSCZVNYLT-INIZCTEOSA-N -1 3 364.461 3.432 20 0 FGADHM C[C@H](C(=O)[O-])[C@H](NCC(=O)N[C@H]1CCCc2ccccc21)c1ccccc1 ZINC000826045355 601650029 /nfs/dbraw/zinc/65/00/29/601650029.db2.gz SFQJVABPDURQKD-ZRCAFCQKSA-N -1 3 366.461 3.232 20 0 FGADHM CCc1ncsc1C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC000825754850 607531947 /nfs/dbraw/zinc/53/19/47/607531947.db2.gz IPAODQMKCOXFIQ-UHFFFAOYSA-N -1 3 370.482 3.184 20 0 FGADHM CCc1ncsc1C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC000825754850 607531948 /nfs/dbraw/zinc/53/19/48/607531948.db2.gz IPAODQMKCOXFIQ-UHFFFAOYSA-N -1 3 370.482 3.184 20 0 FGADHM COC(=O)C[C@@H]1CSCCN1Cc1c2ccccc2sc1C(=O)[O-] ZINC000831148427 601925519 /nfs/dbraw/zinc/92/55/19/601925519.db2.gz VEVHSTQLFKGDST-LLVKDONJSA-N -1 3 365.476 3.080 20 0 FGADHM O=C([O-])Nc1ccc(F)c(NC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)c1 ZINC000740705716 602026434 /nfs/dbraw/zinc/02/64/34/602026434.db2.gz UCQWVFWYRRUNMZ-CQSZACIVSA-N -1 3 372.400 3.161 20 0 FGADHM C[C@H]1C[C@@H](NC(=O)c2cc(NC(=O)[O-])cc(C(F)(F)F)c2)CN1C1CC1 ZINC000828177673 602029073 /nfs/dbraw/zinc/02/90/73/602029073.db2.gz RKCHSMNYGQFLCD-TVQRCGJNSA-N -1 3 371.359 3.150 20 0 FGADHM COc1cc(C(C)=O)ccc1SCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000826177437 607541218 /nfs/dbraw/zinc/54/12/18/607541218.db2.gz IOJJPRGMMUKCEH-UHFFFAOYSA-N -1 3 370.434 3.249 20 0 FGADHM O=C([O-])N1CCC(CCN[C@@H](C(=O)N2CCCCC2)c2ccccc2)CC1 ZINC000740501220 602054291 /nfs/dbraw/zinc/05/42/91/602054291.db2.gz NSYXZTDOVLPQMF-LJQANCHMSA-N -1 3 373.497 3.110 20 0 FGADHM O=C([O-])Cc1cccc(NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)c1 ZINC000676210731 602075235 /nfs/dbraw/zinc/07/52/35/602075235.db2.gz SKHCGOGJLWPTOG-KRWDZBQOSA-N -1 3 370.424 3.304 20 0 FGADHM COc1ccc(CNc2ccccc2Br)cc1-c1nnn[n-]1 ZINC000826203742 607547146 /nfs/dbraw/zinc/54/71/46/607547146.db2.gz DLVZMCHCDMOKIZ-UHFFFAOYSA-N -1 3 360.215 3.250 20 0 FGADHM COc1ccc(CNc2ccccc2Br)cc1-c1nn[n-]n1 ZINC000826203742 607547148 /nfs/dbraw/zinc/54/71/48/607547148.db2.gz DLVZMCHCDMOKIZ-UHFFFAOYSA-N -1 3 360.215 3.250 20 0 FGADHM COc1ccc(CNc2ccc(-c3nccc(C)n3)cc2)cc1-c1nnn[n-]1 ZINC000826204005 607551451 /nfs/dbraw/zinc/55/14/51/607551451.db2.gz ROISAMRYQMZPCE-UHFFFAOYSA-N -1 3 373.420 3.253 20 0 FGADHM COc1ccc(CNc2ccc(-c3nccc(C)n3)cc2)cc1-c1nn[n-]n1 ZINC000826204005 607551453 /nfs/dbraw/zinc/55/14/53/607551453.db2.gz ROISAMRYQMZPCE-UHFFFAOYSA-N -1 3 373.420 3.253 20 0 FGADHM CN(C)[C@H](CNC(=O)Nc1ccc2c(c1)CCN2C(=O)[O-])c1ccccc1 ZINC000739609730 602278720 /nfs/dbraw/zinc/27/87/20/602278720.db2.gz XRWBSRXUQZJKCI-GOSISDBHSA-N -1 3 368.437 3.152 20 0 FGADHM CCC[C@@H](O)CC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000825247479 607557465 /nfs/dbraw/zinc/55/74/65/607557465.db2.gz FCQAIMWESSTFHW-OAHLLOKOSA-N -1 3 367.409 3.149 20 0 FGADHM CCC[C@@H](O)CC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825247479 607557467 /nfs/dbraw/zinc/55/74/67/607557467.db2.gz FCQAIMWESSTFHW-OAHLLOKOSA-N -1 3 367.409 3.149 20 0 FGADHM CC[C@H](C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12)N(CC)CC ZINC000828586827 602300300 /nfs/dbraw/zinc/30/03/00/602300300.db2.gz KGQSTXNSZDBEDF-QGZVFWFLSA-N -1 3 358.438 3.362 20 0 FGADHM CC(C)[C@H](O)CC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824206715 607559155 /nfs/dbraw/zinc/55/91/55/607559155.db2.gz HJGGDJAYDABQKI-QGZVFWFLSA-N -1 3 367.409 3.005 20 0 FGADHM CC(C)[C@H](O)CC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824206715 607559156 /nfs/dbraw/zinc/55/91/56/607559156.db2.gz HJGGDJAYDABQKI-QGZVFWFLSA-N -1 3 367.409 3.005 20 0 FGADHM COc1ccc(CNc2ccc3ccc(F)cc3n2)cc1-c1nnn[n-]1 ZINC000826203696 607559273 /nfs/dbraw/zinc/55/92/73/607559273.db2.gz BVBMACZDOALDAP-UHFFFAOYSA-N -1 3 350.357 3.175 20 0 FGADHM COc1ccc(CNc2ccc3ccc(F)cc3n2)cc1-c1nn[n-]n1 ZINC000826203696 607559274 /nfs/dbraw/zinc/55/92/74/607559274.db2.gz BVBMACZDOALDAP-UHFFFAOYSA-N -1 3 350.357 3.175 20 0 FGADHM CN(C)Cc1ccccc1NC(=O)CC[C@@H](NC(=O)[O-])c1ccccc1 ZINC000739615142 602458194 /nfs/dbraw/zinc/45/81/94/602458194.db2.gz NOJJGBCULUZGSW-GOSISDBHSA-N -1 3 355.438 3.476 20 0 FGADHM CC1=C(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)nc2)CCC1 ZINC000824852336 607577147 /nfs/dbraw/zinc/57/71/47/607577147.db2.gz LGFZXIUHMMLHOE-UHFFFAOYSA-N -1 3 362.393 3.493 20 0 FGADHM CC[C@@H](SC)C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000825158984 607577924 /nfs/dbraw/zinc/57/79/24/607577924.db2.gz GJJOOOVAWBSAJG-CYBMUJFWSA-N -1 3 373.507 3.353 20 0 FGADHM C[C@@H]1CN(Cc2ccc(OCc3cccnc3)cc2)CC[C@@H]1NC(=O)[O-] ZINC000739190623 602784075 /nfs/dbraw/zinc/78/40/75/602784075.db2.gz OYWIWVLQJXFYRN-BEFAXECRSA-N -1 3 355.438 3.139 20 0 FGADHM O=C([O-])N1CC[C@@H](NCc2cc3ccccc3nc2N2CCCCC2)C1 ZINC000740505565 602878379 /nfs/dbraw/zinc/87/83/79/602878379.db2.gz NTRLKXSJJZUBAF-QGZVFWFLSA-N -1 3 354.454 3.067 20 0 FGADHM COc1ccc(COC(=O)C=C(C)c2cccc(F)c2)cc1-c1nnn[n-]1 ZINC000826204858 607607056 /nfs/dbraw/zinc/60/70/56/607607056.db2.gz BIJAALLOHOUDJX-WQLSENKSSA-N -1 3 368.368 3.161 20 0 FGADHM COc1ccc(COC(=O)C=C(C)c2cccc(F)c2)cc1-c1nn[n-]n1 ZINC000826204858 607607058 /nfs/dbraw/zinc/60/70/58/607607058.db2.gz BIJAALLOHOUDJX-WQLSENKSSA-N -1 3 368.368 3.161 20 0 FGADHM COc1ccc(CNC[C@@H](NC(=O)[O-])c2ccccc2OC)cc1Cl ZINC000829389691 603160235 /nfs/dbraw/zinc/16/02/35/603160235.db2.gz NJGQVNYBNNVVOF-OAHLLOKOSA-N -1 3 364.829 3.456 20 0 FGADHM CN(C)Cc1ccc(C(=O)Nc2cccc3c2CCN(C(=O)[O-])C3)cc1 ZINC000739609747 603179018 /nfs/dbraw/zinc/17/90/18/603179018.db2.gz FRUQNJCIGIPXJA-UHFFFAOYSA-N -1 3 353.422 3.037 20 0 FGADHM CN(C)c1cc(CNCc2ccc(NC(=O)[O-])nc2)c2ccccc2n1 ZINC000828056341 603560527 /nfs/dbraw/zinc/56/05/27/603560527.db2.gz PJVQHDNTBVYMJX-UHFFFAOYSA-N -1 3 351.410 3.076 20 0 FGADHM C[C@@H](NC(=O)[O-])C1CCN(C(=O)c2oc3ccccc3c2CN(C)C)CC1 ZINC000825287035 603579836 /nfs/dbraw/zinc/57/98/36/603579836.db2.gz HJXAXINQFFZYRT-CYBMUJFWSA-N -1 3 373.453 3.003 20 0 FGADHM CC(C)(C)NC(=S)N(Cc1ccccc1-c1nnn[n-]1)C1CCCC1 ZINC000824094409 607646733 /nfs/dbraw/zinc/64/67/33/607646733.db2.gz UQGIGZAGHYAHHJ-UHFFFAOYSA-N -1 3 358.515 3.284 20 0 FGADHM CC(C)(C)NC(=S)N(Cc1ccccc1-c1nn[n-]n1)C1CCCC1 ZINC000824094409 607646735 /nfs/dbraw/zinc/64/67/35/607646735.db2.gz UQGIGZAGHYAHHJ-UHFFFAOYSA-N -1 3 358.515 3.284 20 0 FGADHM C[C@H](NC(=O)[O-])C1CCN(Cc2ccc(SC(=O)N(C)C)cc2)CC1 ZINC000825286788 603733632 /nfs/dbraw/zinc/73/36/32/603733632.db2.gz FSSHQRCJIYYTRA-ZDUSSCGKSA-N -1 3 365.499 3.328 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(C)Cc1nc2ccccc2s1 ZINC000826243639 607651539 /nfs/dbraw/zinc/65/15/39/607651539.db2.gz PESSFOWGOAVPOE-UHFFFAOYSA-N -1 3 364.434 3.057 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(C)Cc1nc2ccccc2s1 ZINC000826243639 607651542 /nfs/dbraw/zinc/65/15/42/607651542.db2.gz PESSFOWGOAVPOE-UHFFFAOYSA-N -1 3 364.434 3.057 20 0 FGADHM CCN(Cc1ccccc1Cl)C(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000825439622 607659518 /nfs/dbraw/zinc/65/95/18/607659518.db2.gz HYROGOCQYZLEIQ-UHFFFAOYSA-N -1 3 355.829 3.491 20 0 FGADHM CCN(Cc1ccccc1Cl)C(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000825439622 607659520 /nfs/dbraw/zinc/65/95/20/607659520.db2.gz HYROGOCQYZLEIQ-UHFFFAOYSA-N -1 3 355.829 3.491 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@@H](C)c1ccccc1OC(F)F ZINC000826246658 607661709 /nfs/dbraw/zinc/66/17/09/607661709.db2.gz IOWBIMXYRWEIIH-NSHDSACASA-N -1 3 373.363 3.268 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@@H](C)c1ccccc1OC(F)F ZINC000826246658 607661710 /nfs/dbraw/zinc/66/17/10/607661710.db2.gz IOWBIMXYRWEIIH-NSHDSACASA-N -1 3 373.363 3.268 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1cccc(Oc2cnccn2)c1 ZINC000826250790 607662385 /nfs/dbraw/zinc/66/23/85/607662385.db2.gz SINRQARGXXVOHZ-UHFFFAOYSA-N -1 3 373.376 3.010 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1cccc(Oc2cnccn2)c1 ZINC000826250790 607662387 /nfs/dbraw/zinc/66/23/87/607662387.db2.gz SINRQARGXXVOHZ-UHFFFAOYSA-N -1 3 373.376 3.010 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCCc2cc(Cl)ccc21 ZINC000826245365 607664656 /nfs/dbraw/zinc/66/46/56/607664656.db2.gz VPOCCDINDHVANQ-UHFFFAOYSA-N -1 3 353.813 3.422 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCCc2cc(Cl)ccc21 ZINC000826245365 607664658 /nfs/dbraw/zinc/66/46/58/607664658.db2.gz VPOCCDINDHVANQ-UHFFFAOYSA-N -1 3 353.813 3.422 20 0 FGADHM Cc1nc(-c2cccc(NC(=O)c3ccc(-c4nnn[n-]4)cc3C)c2)[nH]c1C ZINC000826250265 607670555 /nfs/dbraw/zinc/67/05/55/607670555.db2.gz SAGMEYBWEKBQNK-UHFFFAOYSA-N -1 3 373.420 3.434 20 0 FGADHM Cc1nc(-c2cccc(NC(=O)c3ccc(-c4nn[n-]n4)cc3C)c2)[nH]c1C ZINC000826250265 607670558 /nfs/dbraw/zinc/67/05/58/607670558.db2.gz SAGMEYBWEKBQNK-UHFFFAOYSA-N -1 3 373.420 3.434 20 0 FGADHM Cc1ccc(CN(C)C)cc1NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[O-] ZINC000830307799 604083947 /nfs/dbraw/zinc/08/39/47/604083947.db2.gz FNQOGOCEUCHNAS-SZMVWBNQSA-N -1 3 359.470 3.306 20 0 FGADHM C[C@@H](NC(=O)[O-])c1ccc(CNC(=O)Nc2cccc(CN(C)C)c2)cc1 ZINC000825388966 604308765 /nfs/dbraw/zinc/30/87/65/604308765.db2.gz MFOOKGSZDAQNHD-CQSZACIVSA-N -1 3 370.453 3.399 20 0 FGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NCc1nc(C2CCCC2)no1 ZINC000824325057 607685514 /nfs/dbraw/zinc/68/55/14/607685514.db2.gz ZBRZZFUKDDKTHE-UHFFFAOYSA-N -1 3 369.429 3.307 20 0 FGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NCc1nc(C2CCCC2)no1 ZINC000824325057 607685516 /nfs/dbraw/zinc/68/55/16/607685516.db2.gz ZBRZZFUKDDKTHE-UHFFFAOYSA-N -1 3 369.429 3.307 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@@H](C)c1nc2ccccc2s1 ZINC000826246389 607690703 /nfs/dbraw/zinc/69/07/03/607690703.db2.gz CLCASPMESNEFAK-NSHDSACASA-N -1 3 364.434 3.276 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@@H](C)c1nc2ccccc2s1 ZINC000826246389 607690705 /nfs/dbraw/zinc/69/07/05/607690705.db2.gz CLCASPMESNEFAK-NSHDSACASA-N -1 3 364.434 3.276 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@H](C)c1ncc(-c2ccccc2)o1 ZINC000826246359 607694694 /nfs/dbraw/zinc/69/46/94/607694694.db2.gz BVRXQLZYHDFGTH-CYBMUJFWSA-N -1 3 374.404 3.321 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@H](C)c1ncc(-c2ccccc2)o1 ZINC000826246359 607694695 /nfs/dbraw/zinc/69/46/95/607694695.db2.gz BVRXQLZYHDFGTH-CYBMUJFWSA-N -1 3 374.404 3.321 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@H]1C[C@H]1c1c(F)cccc1Cl ZINC000826246447 607694886 /nfs/dbraw/zinc/69/48/86/607694886.db2.gz DKCYIGVLQVZMNU-DOMZBBRYSA-N -1 3 371.803 3.254 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@H]1C[C@H]1c1c(F)cccc1Cl ZINC000826246447 607694888 /nfs/dbraw/zinc/69/48/88/607694888.db2.gz DKCYIGVLQVZMNU-DOMZBBRYSA-N -1 3 371.803 3.254 20 0 FGADHM O=C([O-])c1csc(NC(=O)NCCCN2CCc3ccccc3C2)c1 ZINC000833140572 604495557 /nfs/dbraw/zinc/49/55/57/604495557.db2.gz UNADUFNNLRSDFN-UHFFFAOYSA-N -1 3 359.451 3.016 20 0 FGADHM C[C@@H](c1ccc(Cl)cc1)N(C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC000824762314 607702224 /nfs/dbraw/zinc/70/22/24/607702224.db2.gz FSSOFGUUSKZUIV-JTQLQIEISA-N -1 3 356.817 3.214 20 0 FGADHM C[C@@H](c1ccc(Cl)cc1)N(C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC000824762314 607702226 /nfs/dbraw/zinc/70/22/26/607702226.db2.gz FSSOFGUUSKZUIV-JTQLQIEISA-N -1 3 356.817 3.214 20 0 FGADHM CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000825435286 607702351 /nfs/dbraw/zinc/70/23/51/607702351.db2.gz SHVCMIFEPYFSKY-UHFFFAOYSA-N -1 3 365.224 3.164 20 0 FGADHM CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000825435286 607702354 /nfs/dbraw/zinc/70/23/54/607702354.db2.gz SHVCMIFEPYFSKY-UHFFFAOYSA-N -1 3 365.224 3.164 20 0 FGADHM CCN(C(=O)c1ccc(-c2nnn[n-]2)[nH]1)[C@H](C)c1cc2ccccc2o1 ZINC000825380833 607705392 /nfs/dbraw/zinc/70/53/92/607705392.db2.gz UXMYALOCBLNNOJ-LLVKDONJSA-N -1 3 350.382 3.164 20 0 FGADHM CCN(C(=O)c1ccc(-c2nn[n-]n2)[nH]1)[C@H](C)c1cc2ccccc2o1 ZINC000825380833 607705393 /nfs/dbraw/zinc/70/53/93/607705393.db2.gz UXMYALOCBLNNOJ-LLVKDONJSA-N -1 3 350.382 3.164 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C[C@@H](C)c1ccc(F)cc1F ZINC000826185493 607712767 /nfs/dbraw/zinc/71/27/67/607712767.db2.gz LIMGKPYCFQANDV-SNVBAGLBSA-N -1 3 373.363 3.286 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C[C@@H](C)c1ccc(F)cc1F ZINC000826185493 607712769 /nfs/dbraw/zinc/71/27/69/607712769.db2.gz LIMGKPYCFQANDV-SNVBAGLBSA-N -1 3 373.363 3.286 20 0 FGADHM C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1Cc1ccc(C(=O)[O-])cc1F ZINC000833594645 604767641 /nfs/dbraw/zinc/76/76/41/604767641.db2.gz FHPMSQDNUOXSPU-QWHCGFSZSA-N -1 3 366.433 3.259 20 0 FGADHM Cc1ccc(Nc2nc(CNC3(CC(=O)[O-])CCOCC3)cs2)cc1 ZINC000662211565 604793242 /nfs/dbraw/zinc/79/32/42/604793242.db2.gz ALKHCGAZWWUQBB-UHFFFAOYSA-N -1 3 361.467 3.309 20 0 FGADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(CC(=O)Nc2ccc(N3CCCC3)cc2)C1 ZINC000833420932 604929350 /nfs/dbraw/zinc/92/93/50/604929350.db2.gz CJVUYZCFPYANJL-MRXNPFEDSA-N -1 3 373.497 3.048 20 0 FGADHM C[C@H](C(=O)Nc1ccc(F)c(F)c1)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000833410161 604942544 /nfs/dbraw/zinc/94/25/44/604942544.db2.gz VVHLVZKNIDLLDH-NEPJUHHUSA-N -1 3 354.397 3.115 20 0 FGADHM CC(C)(C(=O)[O-])[C@H]1CCCN(C[C@@H](O)c2cccc(Br)c2)C1 ZINC000833421185 604950720 /nfs/dbraw/zinc/95/07/20/604950720.db2.gz JPCITCSCQKGATR-DZGCQCFKSA-N -1 3 370.287 3.305 20 0 FGADHM Fc1cc(-c2nnn[n-]2)cc(F)c1N1CCS[C@H](c2ccccc2)C1 ZINC000826371577 607728956 /nfs/dbraw/zinc/72/89/56/607728956.db2.gz LRLJRNUAYLKIFP-HNNXBMFYSA-N -1 3 359.405 3.439 20 0 FGADHM Fc1cc(-c2nn[n-]n2)cc(F)c1N1CCS[C@H](c2ccccc2)C1 ZINC000826371577 607728958 /nfs/dbraw/zinc/72/89/58/607728958.db2.gz LRLJRNUAYLKIFP-HNNXBMFYSA-N -1 3 359.405 3.439 20 0 FGADHM O=C([O-])[C@@H](NCc1cccc(COCc2ccco2)c1)c1cccnc1 ZINC000833169766 604991754 /nfs/dbraw/zinc/99/17/54/604991754.db2.gz KEGOJZFALFLRDI-IBGZPJMESA-N -1 3 352.390 3.307 20 0 FGADHM COc1cc(NCCNc2ccc(Cl)cc2-c2nnn[n-]2)cc(OC)c1 ZINC000826180715 607730356 /nfs/dbraw/zinc/73/03/56/607730356.db2.gz TWWRQNHZCRERGG-UHFFFAOYSA-N -1 3 374.832 3.061 20 0 FGADHM COc1cc(NCCNc2ccc(Cl)cc2-c2nn[n-]n2)cc(OC)c1 ZINC000826180715 607730357 /nfs/dbraw/zinc/73/03/57/607730357.db2.gz TWWRQNHZCRERGG-UHFFFAOYSA-N -1 3 374.832 3.061 20 0 FGADHM C[C@@H](C1CC1)N(C(=O)CN[C@@H](c1ccccc1)C(C)(C)C(=O)[O-])C1CC1 ZINC000833513371 605175708 /nfs/dbraw/zinc/17/57/08/605175708.db2.gz DDFSZYYWPFJROX-LIRRHRJNSA-N -1 3 358.482 3.218 20 0 FGADHM CC(C)(C(=O)[O-])[C@H](NCC(=O)NCc1cccc(Cl)c1)c1ccccc1 ZINC000833413696 605177946 /nfs/dbraw/zinc/17/79/46/605177946.db2.gz OKQQTMYTLWXRHI-GOSISDBHSA-N -1 3 374.868 3.398 20 0 FGADHM CC(C)(C(=O)[O-])[C@@H](NCC(=O)Nc1ccc(F)c(F)c1)c1ccccc1 ZINC000833416157 605178714 /nfs/dbraw/zinc/17/87/14/605178714.db2.gz ZOWARWRGBSQGMP-KRWDZBQOSA-N -1 3 362.376 3.345 20 0 FGADHM O=C(c1ccc(-c2nnn[n-]2)[nH]1)N1CCCCC[C@@H]1/C=C\c1ccccc1 ZINC000826471883 607749695 /nfs/dbraw/zinc/74/96/95/607749695.db2.gz PSKSSASLCBSYET-BLIJAFNYSA-N -1 3 362.437 3.293 20 0 FGADHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1CCCCC[C@@H]1/C=C\c1ccccc1 ZINC000826471883 607749696 /nfs/dbraw/zinc/74/96/96/607749696.db2.gz PSKSSASLCBSYET-BLIJAFNYSA-N -1 3 362.437 3.293 20 0 FGADHM CC(=O)Nc1ccc(CCN[C@H](C(=O)[O-])c2c(F)cccc2Cl)cc1 ZINC000833400067 605357970 /nfs/dbraw/zinc/35/79/70/605357970.db2.gz YTEBBHARILCLTA-KRWDZBQOSA-N -1 3 364.804 3.396 20 0 FGADHM CCCN(CC(=O)Nc1cccc(SC)c1)C1CCN(C(=O)[O-])CC1 ZINC000826903668 605471105 /nfs/dbraw/zinc/47/11/05/605471105.db2.gz LYGIRIOOXVNYHU-UHFFFAOYSA-N -1 3 365.499 3.201 20 0 FGADHM CN(C)Cc1ccc(-c2noc(C[C@H](NC(=O)[O-])c3ccccc3)n2)cc1 ZINC000828042765 605475596 /nfs/dbraw/zinc/47/55/96/605475596.db2.gz PDDKLVAXNMSWJV-KRWDZBQOSA-N -1 3 366.421 3.350 20 0 FGADHM O=C([O-])NCC1CCN(Cc2ccccc2OCc2ccccn2)CC1 ZINC000834226029 605488242 /nfs/dbraw/zinc/48/82/42/605488242.db2.gz RVLAXWYLLTXRKI-UHFFFAOYSA-N -1 3 355.438 3.140 20 0 FGADHM CCOC(=O)Nc1ccc(NC(=O)CCC2CCCC2)cc1-c1nnn[n-]1 ZINC000825530264 607759255 /nfs/dbraw/zinc/75/92/55/607759255.db2.gz BSMZZGSPHGMMKL-UHFFFAOYSA-N -1 3 372.429 3.344 20 0 FGADHM CCOC(=O)Nc1ccc(NC(=O)CCC2CCCC2)cc1-c1nn[n-]n1 ZINC000825530264 607759256 /nfs/dbraw/zinc/75/92/56/607759256.db2.gz BSMZZGSPHGMMKL-UHFFFAOYSA-N -1 3 372.429 3.344 20 0 FGADHM CC(C)C[C@@H](C)NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC000824229804 607761598 /nfs/dbraw/zinc/76/15/98/607761598.db2.gz VAVKFOKZVHRNQI-OAHLLOKOSA-N -1 3 358.490 3.469 20 0 FGADHM CC(C)C[C@@H](C)NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC000824229804 607761599 /nfs/dbraw/zinc/76/15/99/607761599.db2.gz VAVKFOKZVHRNQI-OAHLLOKOSA-N -1 3 358.490 3.469 20 0 FGADHM CCOC(=O)Nc1ccc(NC(=O)CC(C)(C)CC)cc1-c1nnn[n-]1 ZINC000825532524 607761698 /nfs/dbraw/zinc/76/16/98/607761698.db2.gz SVZSSRFIGOVMMT-UHFFFAOYSA-N -1 3 360.418 3.200 20 0 FGADHM CCOC(=O)Nc1ccc(NC(=O)CC(C)(C)CC)cc1-c1nn[n-]n1 ZINC000825532524 607761699 /nfs/dbraw/zinc/76/16/99/607761699.db2.gz SVZSSRFIGOVMMT-UHFFFAOYSA-N -1 3 360.418 3.200 20 0 FGADHM Cc1nn(Cc2ccccc2)c(C)c1CN1CC[C@@H](NC(=O)[O-])[C@H](C)C1 ZINC000833922091 605593147 /nfs/dbraw/zinc/59/31/47/605593147.db2.gz YLHTVZQRFCLZLP-AUUYWEPGSA-N -1 3 356.470 3.026 20 0 FGADHM O=C([O-])N1CC[C@@]2(C1)C[C@H](NCCOC1CCCC1)c1ccccc1O2 ZINC000834085656 605633562 /nfs/dbraw/zinc/63/35/62/605633562.db2.gz MHVRZGRKCGHGLN-PXNSSMCTSA-N -1 3 360.454 3.182 20 0 FGADHM O=C([O-])N1CC[C@]2(C1)C[C@H](NCCc1ccccc1O)c1ccccc1O2 ZINC000834085175 605636836 /nfs/dbraw/zinc/63/68/36/605636836.db2.gz KWTVISBMKPFAIE-LAUBAEHRSA-N -1 3 368.433 3.171 20 0 FGADHM Cc1cc(C)c(C(=O)Nc2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)o1 ZINC000826263047 607769730 /nfs/dbraw/zinc/76/97/30/607769730.db2.gz IZSIPLHYTHJOLZ-UHFFFAOYSA-N -1 3 366.406 3.452 20 0 FGADHM Cc1cc(C)c(C(=O)Nc2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)o1 ZINC000826263047 607769731 /nfs/dbraw/zinc/76/97/31/607769731.db2.gz IZSIPLHYTHJOLZ-UHFFFAOYSA-N -1 3 366.406 3.452 20 0 FGADHM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(-c2ccncc2)cc1 ZINC000820390601 606028344 /nfs/dbraw/zinc/02/83/44/606028344.db2.gz JBERBIIRQFOTFR-CQSZACIVSA-N -1 3 370.416 3.420 20 0 FGADHM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(-c2ccncc2)cc1 ZINC000820390601 606028345 /nfs/dbraw/zinc/02/83/45/606028345.db2.gz JBERBIIRQFOTFR-CQSZACIVSA-N -1 3 370.416 3.420 20 0 FGADHM Clc1ccc2sc(CCNc3ccc(-c4nnn[n-]4)nc3)nc2c1 ZINC000822581696 606030758 /nfs/dbraw/zinc/03/07/58/606030758.db2.gz KTZRAYKLFRLBKC-UHFFFAOYSA-N -1 3 357.830 3.179 20 0 FGADHM Clc1ccc2sc(CCNc3ccc(-c4nn[n-]n4)nc3)nc2c1 ZINC000822581696 606030763 /nfs/dbraw/zinc/03/07/63/606030763.db2.gz KTZRAYKLFRLBKC-UHFFFAOYSA-N -1 3 357.830 3.179 20 0 FGADHM C[C@H](Nc1nc2ccccc2cc1-c1nnn[n-]1)c1ccc2c(c1)OCO2 ZINC000820460819 606032965 /nfs/dbraw/zinc/03/29/65/606032965.db2.gz CEQNBVHFFSJYPX-NSHDSACASA-N -1 3 360.377 3.317 20 0 FGADHM C[C@H](Nc1nc2ccccc2cc1-c1nn[n-]n1)c1ccc2c(c1)OCO2 ZINC000820460819 606032968 /nfs/dbraw/zinc/03/29/68/606032968.db2.gz CEQNBVHFFSJYPX-NSHDSACASA-N -1 3 360.377 3.317 20 0 FGADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)nc1)c1nc2ccccc2n1C(F)F ZINC000820455395 606033604 /nfs/dbraw/zinc/03/36/04/606033604.db2.gz IHKRPYPICPYGCG-SECBINFHSA-N -1 3 356.340 3.180 20 0 FGADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)nc1)c1nc2ccccc2n1C(F)F ZINC000820455395 606033609 /nfs/dbraw/zinc/03/36/09/606033609.db2.gz IHKRPYPICPYGCG-SECBINFHSA-N -1 3 356.340 3.180 20 0 FGADHM C[C@@H](COCc1ccccc1)Nc1nc2ccccc2cc1-c1nnn[n-]1 ZINC000820286603 606095766 /nfs/dbraw/zinc/09/57/66/606095766.db2.gz CVKNYUHZXWNJRK-AWEZNQCLSA-N -1 3 360.421 3.432 20 0 FGADHM C[C@@H](COCc1ccccc1)Nc1nc2ccccc2cc1-c1nn[n-]n1 ZINC000820286603 606095770 /nfs/dbraw/zinc/09/57/70/606095770.db2.gz CVKNYUHZXWNJRK-AWEZNQCLSA-N -1 3 360.421 3.432 20 0 FGADHM Cc1ccc(OCCCC(=O)Nc2sccc2-c2nnn[n-]2)cc1C ZINC000822262860 606101249 /nfs/dbraw/zinc/10/12/49/606101249.db2.gz FTKJFWFTOIZTFA-UHFFFAOYSA-N -1 3 357.439 3.343 20 0 FGADHM Cc1ccc(OCCCC(=O)Nc2sccc2-c2nn[n-]n2)cc1C ZINC000822262860 606101251 /nfs/dbraw/zinc/10/12/51/606101251.db2.gz FTKJFWFTOIZTFA-UHFFFAOYSA-N -1 3 357.439 3.343 20 0 FGADHM CCS[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000821456082 606153553 /nfs/dbraw/zinc/15/35/53/606153553.db2.gz NCVXONBWYHVVQF-KBPBESRZSA-N -1 3 364.450 3.192 20 0 FGADHM CCS[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821456082 606153554 /nfs/dbraw/zinc/15/35/54/606153554.db2.gz NCVXONBWYHVVQF-KBPBESRZSA-N -1 3 364.450 3.192 20 0 FGADHM O=C(OC1CCC1)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000823393332 606170560 /nfs/dbraw/zinc/17/05/60/606170560.db2.gz WZUGUCJDVRQXBH-UHFFFAOYSA-N -1 3 350.378 3.155 20 0 FGADHM CO[C@@H](C)c1nc(COc2ccc(-c3nn[n-]n3)cc2Cl)cs1 ZINC000821675520 606170780 /nfs/dbraw/zinc/17/07/80/606170780.db2.gz NGRQCKPXWFQFAO-QMMMGPOBSA-N -1 3 351.819 3.263 20 0 FGADHM CO[C@@H](C)c1nc(COc2ccc(-c3nnn[n-]3)cc2Cl)cs1 ZINC000821675520 606170779 /nfs/dbraw/zinc/17/07/79/606170779.db2.gz NGRQCKPXWFQFAO-QMMMGPOBSA-N -1 3 351.819 3.263 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cccc(F)c1F ZINC000821123805 606192947 /nfs/dbraw/zinc/19/29/47/606192947.db2.gz ZSGVXRDCAMXXHW-UHFFFAOYSA-N -1 3 358.352 3.219 20 0 FGADHM c1c2c(nc(N3CCSC4(CCCCC4)C3)c1-c1nnn[n-]1)CCC2 ZINC000823738594 606201071 /nfs/dbraw/zinc/20/10/71/606201071.db2.gz VTSWJAFWCFKQLE-UHFFFAOYSA-N -1 3 356.499 3.007 20 0 FGADHM c1c2c(nc(N3CCSC4(CCCCC4)C3)c1-c1nn[n-]n1)CCC2 ZINC000823738594 606201072 /nfs/dbraw/zinc/20/10/72/606201072.db2.gz VTSWJAFWCFKQLE-UHFFFAOYSA-N -1 3 356.499 3.007 20 0 FGADHM CC(C)CCCCCC(=O)OCC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000820072501 606226116 /nfs/dbraw/zinc/22/61/16/606226116.db2.gz HZJDNVCLADITPS-UHFFFAOYSA-N -1 3 365.459 3.016 20 0 FGADHM CC(C)CCCCCC(=O)OCC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000820072501 606226117 /nfs/dbraw/zinc/22/61/17/606226117.db2.gz HZJDNVCLADITPS-UHFFFAOYSA-N -1 3 365.459 3.016 20 0 FGADHM Cc1nnc(N2CC[C@](C)(CCc3ccccc3)C2)c(-c2nnn[n-]2)c1C ZINC000822509606 606234186 /nfs/dbraw/zinc/23/41/86/606234186.db2.gz BPFMTMOUUPTSMV-FQEVSTJZSA-N -1 3 363.469 3.123 20 0 FGADHM Cc1nnc(N2CC[C@](C)(CCc3ccccc3)C2)c(-c2nn[n-]n2)c1C ZINC000822509606 606234187 /nfs/dbraw/zinc/23/41/87/606234187.db2.gz BPFMTMOUUPTSMV-FQEVSTJZSA-N -1 3 363.469 3.123 20 0 FGADHM O[C@H](C[C@H]1CCCCCN1c1ncccc1-c1nnn[n-]1)c1ccccc1 ZINC000823672373 606241300 /nfs/dbraw/zinc/24/13/00/606241300.db2.gz DGIOPJBSTABDED-SJLPKXTDSA-N -1 3 364.453 3.134 20 0 FGADHM O[C@H](C[C@H]1CCCCCN1c1ncccc1-c1nn[n-]n1)c1ccccc1 ZINC000823672373 606241302 /nfs/dbraw/zinc/24/13/02/606241302.db2.gz DGIOPJBSTABDED-SJLPKXTDSA-N -1 3 364.453 3.134 20 0 FGADHM CCCCN(Cc1ccccc1Cl)C(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000821065147 606241578 /nfs/dbraw/zinc/24/15/78/606241578.db2.gz FAIPKMFDKXYFIL-UHFFFAOYSA-N -1 3 372.860 3.301 20 0 FGADHM CCCCN(Cc1ccccc1Cl)C(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000821065147 606241580 /nfs/dbraw/zinc/24/15/80/606241580.db2.gz FAIPKMFDKXYFIL-UHFFFAOYSA-N -1 3 372.860 3.301 20 0 FGADHM C[C@H](NC(=O)Cc1coc2cc(F)ccc12)c1ccc(-c2nnn[n-]2)cc1 ZINC000820334798 606253683 /nfs/dbraw/zinc/25/36/83/606253683.db2.gz QICIRCUPJYXFKZ-NSHDSACASA-N -1 3 365.368 3.172 20 0 FGADHM C[C@H](NC(=O)Cc1coc2cc(F)ccc12)c1ccc(-c2nn[n-]n2)cc1 ZINC000820334798 606253685 /nfs/dbraw/zinc/25/36/85/606253685.db2.gz QICIRCUPJYXFKZ-NSHDSACASA-N -1 3 365.368 3.172 20 0 FGADHM C[C@H]1CCN(C(=O)c2ccc(Sc3ccccc3-c3nnn[n-]3)cc2)C1 ZINC000820715713 606266101 /nfs/dbraw/zinc/26/61/01/606266101.db2.gz DMPJSCLPHJXJKO-ZDUSSCGKSA-N -1 3 365.462 3.500 20 0 FGADHM C[C@H]1CCN(C(=O)c2ccc(Sc3ccccc3-c3nn[n-]n3)cc2)C1 ZINC000820715713 606266102 /nfs/dbraw/zinc/26/61/02/606266102.db2.gz DMPJSCLPHJXJKO-ZDUSSCGKSA-N -1 3 365.462 3.500 20 0 FGADHM Cc1ccc2[nH]cc(CCC(=O)Nc3ccc(F)cc3-c3nnn[n-]3)c2c1 ZINC000822274808 606268395 /nfs/dbraw/zinc/26/83/95/606268395.db2.gz JVCOFMKEAYYKQT-UHFFFAOYSA-N -1 3 364.384 3.367 20 0 FGADHM Cc1ccc2[nH]cc(CCC(=O)Nc3ccc(F)cc3-c3nn[n-]n3)c2c1 ZINC000822274808 606268396 /nfs/dbraw/zinc/26/83/96/606268396.db2.gz JVCOFMKEAYYKQT-UHFFFAOYSA-N -1 3 364.384 3.367 20 0 FGADHM O=C(C=Cc1ccc2ccccc2n1)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000822928092 606268606 /nfs/dbraw/zinc/26/86/06/606268606.db2.gz DINOYOWAMRIJEF-NTMALXAHSA-N -1 3 360.352 3.206 20 0 FGADHM O=C(C=Cc1ccc2ccccc2n1)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000822928092 606268607 /nfs/dbraw/zinc/26/86/07/606268607.db2.gz DINOYOWAMRIJEF-NTMALXAHSA-N -1 3 360.352 3.206 20 0 FGADHM Cc1ccc(C)c(SCC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000822232187 606268833 /nfs/dbraw/zinc/26/88/33/606268833.db2.gz WFBBVRWLHNLJGO-UHFFFAOYSA-N -1 3 357.414 3.353 20 0 FGADHM Cc1ccc(C)c(SCC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000822232187 606268834 /nfs/dbraw/zinc/26/88/34/606268834.db2.gz WFBBVRWLHNLJGO-UHFFFAOYSA-N -1 3 357.414 3.353 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000823343800 606269405 /nfs/dbraw/zinc/26/94/05/606269405.db2.gz HPZVCZXTVSWXJM-GHMZBOCLSA-N -1 3 359.311 3.026 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000823343800 606269407 /nfs/dbraw/zinc/26/94/07/606269407.db2.gz HPZVCZXTVSWXJM-GHMZBOCLSA-N -1 3 359.311 3.026 20 0 FGADHM O=C(CCc1ccc(Cl)s1)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000822979113 606270152 /nfs/dbraw/zinc/27/01/52/606270152.db2.gz XCICGIRLHALTFP-UHFFFAOYSA-N -1 3 351.794 3.292 20 0 FGADHM O=C(CCc1ccc(Cl)s1)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000822979113 606270151 /nfs/dbraw/zinc/27/01/51/606270151.db2.gz XCICGIRLHALTFP-UHFFFAOYSA-N -1 3 351.794 3.292 20 0 FGADHM C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000820641899 606279515 /nfs/dbraw/zinc/27/95/15/606279515.db2.gz FIWAJFRJUSHCCC-GNDWGAAVSA-N -1 3 359.433 3.285 20 0 FGADHM C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000820641899 606279517 /nfs/dbraw/zinc/27/95/17/606279517.db2.gz FIWAJFRJUSHCCC-GNDWGAAVSA-N -1 3 359.433 3.285 20 0 FGADHM Cc1c2ccccc2oc1[C@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(C)C ZINC000822020548 606280888 /nfs/dbraw/zinc/28/08/88/606280888.db2.gz DNZDHORGOJGAPO-MRXNPFEDSA-N -1 3 364.409 3.377 20 0 FGADHM Cc1c2ccccc2oc1[C@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(C)C ZINC000822020548 606280890 /nfs/dbraw/zinc/28/08/90/606280890.db2.gz DNZDHORGOJGAPO-MRXNPFEDSA-N -1 3 364.409 3.377 20 0 FGADHM C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000820562535 606298842 /nfs/dbraw/zinc/29/88/42/606298842.db2.gz GOUIDQRQRRCMPE-QWRGUYRKSA-N -1 3 358.833 3.112 20 0 FGADHM C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000820562535 606298843 /nfs/dbraw/zinc/29/88/43/606298843.db2.gz GOUIDQRQRRCMPE-QWRGUYRKSA-N -1 3 358.833 3.112 20 0 FGADHM COC(=O)[C@@H](N[C@@H](C)c1cc(C)cc(C)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000821640818 606304829 /nfs/dbraw/zinc/30/48/29/606304829.db2.gz PRRDTOFAFLIPGG-KSSFIOAISA-N -1 3 365.437 3.048 20 0 FGADHM COC(=O)[C@@H](N[C@@H](C)c1cc(C)cc(C)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000821640818 606304831 /nfs/dbraw/zinc/30/48/31/606304831.db2.gz PRRDTOFAFLIPGG-KSSFIOAISA-N -1 3 365.437 3.048 20 0 FGADHM CCSc1cccc(N[C@H](C(=O)OC)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000821461233 606305856 /nfs/dbraw/zinc/30/58/56/606305856.db2.gz MWJGDAXQQIJBKI-INIZCTEOSA-N -1 3 369.450 3.305 20 0 FGADHM CCSc1cccc(N[C@H](C(=O)OC)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000821461233 606305858 /nfs/dbraw/zinc/30/58/58/606305858.db2.gz MWJGDAXQQIJBKI-INIZCTEOSA-N -1 3 369.450 3.305 20 0 FGADHM Clc1cccc(-c2noc(CNc3ccc(-c4nn[n-]n4)cc3)n2)c1 ZINC000822585643 606312794 /nfs/dbraw/zinc/31/27/94/606312794.db2.gz IMVOTWOIZFUGDN-UHFFFAOYSA-N -1 3 353.773 3.182 20 0 FGADHM CC[C@H](Oc1ccccc1F)C(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000820939292 606318194 /nfs/dbraw/zinc/31/81/94/606318194.db2.gz SQQFJCSWTIZGKJ-HNNXBMFYSA-N -1 3 355.373 3.110 20 0 FGADHM CC[C@H](Oc1ccccc1F)C(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000820939292 606318195 /nfs/dbraw/zinc/31/81/95/606318195.db2.gz SQQFJCSWTIZGKJ-HNNXBMFYSA-N -1 3 355.373 3.110 20 0 FGADHM Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)c2cc(-c3nnn[n-]3)c[nH]2)cc1 ZINC000822232097 606323706 /nfs/dbraw/zinc/32/37/06/606323706.db2.gz SWBUHDGJBYBXGL-GUYCJALGSA-N -1 3 350.426 3.117 20 0 FGADHM Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)c2cc(-c3nn[n-]n3)c[nH]2)cc1 ZINC000822232097 606323707 /nfs/dbraw/zinc/32/37/07/606323707.db2.gz SWBUHDGJBYBXGL-GUYCJALGSA-N -1 3 350.426 3.117 20 0 FGADHM C[C@@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)NCc1ccc(Cl)cc1 ZINC000820557562 606325873 /nfs/dbraw/zinc/32/58/73/606325873.db2.gz ZWIZXYPTFUDXMY-LLVKDONJSA-N -1 3 373.869 3.317 20 0 FGADHM C[C@@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)NCc1ccc(Cl)cc1 ZINC000820557562 606325874 /nfs/dbraw/zinc/32/58/74/606325874.db2.gz ZWIZXYPTFUDXMY-LLVKDONJSA-N -1 3 373.869 3.317 20 0 FGADHM C[C@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)N(C)Cc1ccccc1 ZINC000820554984 606326796 /nfs/dbraw/zinc/32/67/96/606326796.db2.gz CWNBPIUYBMMTKF-ZDUSSCGKSA-N -1 3 353.451 3.006 20 0 FGADHM C[C@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)N(C)Cc1ccccc1 ZINC000820554984 606326798 /nfs/dbraw/zinc/32/67/98/606326798.db2.gz CWNBPIUYBMMTKF-ZDUSSCGKSA-N -1 3 353.451 3.006 20 0 FGADHM Cc1ccc(C)c(OCC(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822232232 606346860 /nfs/dbraw/zinc/34/68/60/606346860.db2.gz XZBVRHVOUGXIJE-CQSZACIVSA-N -1 3 352.394 3.167 20 0 FGADHM Cc1ccc(C)c(OCC(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822232232 606346861 /nfs/dbraw/zinc/34/68/61/606346861.db2.gz XZBVRHVOUGXIJE-CQSZACIVSA-N -1 3 352.394 3.167 20 0 FGADHM Cc1ccccc1C[C@H](C)NC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000822355937 606349624 /nfs/dbraw/zinc/34/96/24/606349624.db2.gz CEJAMRGYUONWOF-LBPRGKRZSA-N -1 3 354.389 3.067 20 0 FGADHM Cc1ccccc1C[C@H](C)NC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000822355937 606349626 /nfs/dbraw/zinc/34/96/26/606349626.db2.gz CEJAMRGYUONWOF-LBPRGKRZSA-N -1 3 354.389 3.067 20 0 FGADHM Cc1ccc(C[C@H](C)NC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)s1 ZINC000822235267 606351481 /nfs/dbraw/zinc/35/14/81/606351481.db2.gz ZFFHQBBCOIOWKW-VIFPVBQESA-N -1 3 360.418 3.128 20 0 FGADHM Cc1ccc(C[C@H](C)NC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)s1 ZINC000822235267 606351482 /nfs/dbraw/zinc/35/14/82/606351482.db2.gz ZFFHQBBCOIOWKW-VIFPVBQESA-N -1 3 360.418 3.128 20 0 FGADHM C[C@H](OC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820488810 606353962 /nfs/dbraw/zinc/35/39/62/606353962.db2.gz URCYNSRLXUARHF-JECHBYEQSA-N -1 3 352.369 3.414 20 0 FGADHM C[C@H](OC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820488810 606353964 /nfs/dbraw/zinc/35/39/64/606353964.db2.gz URCYNSRLXUARHF-JECHBYEQSA-N -1 3 352.369 3.414 20 0 FGADHM COc1ccc(C)cc1CC(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821782905 606357975 /nfs/dbraw/zinc/35/79/75/606357975.db2.gz ROHSGEXMGYVNTN-ZDUSSCGKSA-N -1 3 352.394 3.031 20 0 FGADHM COc1ccc(C)cc1CC(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821782905 606357977 /nfs/dbraw/zinc/35/79/77/606357977.db2.gz ROHSGEXMGYVNTN-ZDUSSCGKSA-N -1 3 352.394 3.031 20 0 FGADHM C[C@@H](OC(=O)C1(c2ccccc2F)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820488601 606359301 /nfs/dbraw/zinc/35/93/01/606359301.db2.gz QIPMJCUGWNIGJJ-GFCCVEGCSA-N -1 3 352.369 3.342 20 0 FGADHM C[C@@H](OC(=O)C1(c2ccccc2F)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820488601 606359303 /nfs/dbraw/zinc/35/93/03/606359303.db2.gz QIPMJCUGWNIGJJ-GFCCVEGCSA-N -1 3 352.369 3.342 20 0 FGADHM CCS[C@@H]1CCC[C@H](NC(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000821455568 606382880 /nfs/dbraw/zinc/38/28/80/606382880.db2.gz KOWRCHZYTIMVKM-UHOFOFEASA-N -1 3 374.514 3.291 20 0 FGADHM CCS[C@@H]1CCC[C@H](NC(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821455568 606382881 /nfs/dbraw/zinc/38/28/81/606382881.db2.gz KOWRCHZYTIMVKM-UHOFOFEASA-N -1 3 374.514 3.291 20 0 FGADHM C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820650263 606384143 /nfs/dbraw/zinc/38/41/43/606384143.db2.gz SVNUXEIXVVRHKT-CZUORRHYSA-N -1 3 356.474 3.223 20 0 FGADHM C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820650263 606384144 /nfs/dbraw/zinc/38/41/44/606384144.db2.gz SVNUXEIXVVRHKT-CZUORRHYSA-N -1 3 356.474 3.223 20 0 FGADHM Fc1cc(Br)cc(CSc2ccc(-c3nnn[n-]3)cn2)c1 ZINC000822748252 606399619 /nfs/dbraw/zinc/39/96/19/606399619.db2.gz PEZRVNGQQLLTBZ-UHFFFAOYSA-N -1 3 366.219 3.456 20 0 FGADHM Fc1cc(Br)cc(CSc2ccc(-c3nn[n-]n3)cn2)c1 ZINC000822748252 606399621 /nfs/dbraw/zinc/39/96/21/606399621.db2.gz PEZRVNGQQLLTBZ-UHFFFAOYSA-N -1 3 366.219 3.456 20 0 FGADHM Clc1ccc2sc(CNCc3ccc(-c4nnn[n-]4)s3)nc2c1 ZINC000822581759 606413554 /nfs/dbraw/zinc/41/35/54/606413554.db2.gz NMDQJDGFUXMWAV-UHFFFAOYSA-N -1 3 362.871 3.481 20 0 FGADHM c1cc(-c2nnn[n-]2)sc1CNc1cccc(OC[C@H]2CCCO2)c1 ZINC000823757605 606421368 /nfs/dbraw/zinc/42/13/68/606421368.db2.gz RZVAJUUJPNKOAO-CQSZACIVSA-N -1 3 357.439 3.098 20 0 FGADHM Fc1cccc(C2CCN(c3nc4c(cc3-c3nnn[n-]3)CCC4)CC2)c1 ZINC000822786271 606426353 /nfs/dbraw/zinc/42/63/53/606426353.db2.gz HASWVWVRTFGVCQ-UHFFFAOYSA-N -1 3 364.428 3.274 20 0 FGADHM Fc1cccc(C2CCN(c3nc4c(cc3-c3nn[n-]n3)CCC4)CC2)c1 ZINC000822786271 606426355 /nfs/dbraw/zinc/42/63/55/606426355.db2.gz HASWVWVRTFGVCQ-UHFFFAOYSA-N -1 3 364.428 3.274 20 0 FGADHM COc1ccc([C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2F)c(OC)c1 ZINC000821787002 606443666 /nfs/dbraw/zinc/44/36/66/606443666.db2.gz NCGVVRWEHDXZLG-MRXNPFEDSA-N -1 3 369.400 3.365 20 0 FGADHM O=C1CCCN1c1ccc(CNc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000823530257 606444173 /nfs/dbraw/zinc/44/41/73/606444173.db2.gz GGSQVCRZRYXYQP-UHFFFAOYSA-N -1 3 368.828 3.259 20 0 FGADHM O=C1CCCN1c1ccc(CNc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000823530257 606444175 /nfs/dbraw/zinc/44/41/75/606444175.db2.gz GGSQVCRZRYXYQP-UHFFFAOYSA-N -1 3 368.828 3.259 20 0 FGADHM Cc1cc([C@H](C)NC(=O)C=Cc2ccccc2-c2nnn[n-]2)ccc1F ZINC000822191802 606449989 /nfs/dbraw/zinc/44/99/89/606449989.db2.gz RGNWTZWRKGQWJS-FROQITRMSA-N -1 3 351.385 3.205 20 0 FGADHM Cc1cc([C@H](C)NC(=O)C=Cc2ccccc2-c2nn[n-]n2)ccc1F ZINC000822191802 606449991 /nfs/dbraw/zinc/44/99/91/606449991.db2.gz RGNWTZWRKGQWJS-FROQITRMSA-N -1 3 351.385 3.205 20 0 FGADHM O=C(Oc1ccc(F)cc1Br)c1cc(-c2nnn[n-]2)cs1 ZINC000823454395 606462218 /nfs/dbraw/zinc/46/22/18/606462218.db2.gz PZYMITVNNSOIEH-UHFFFAOYSA-N -1 3 369.175 3.049 20 0 FGADHM O=C(Oc1ccc(F)cc1Br)c1cc(-c2nn[n-]n2)cs1 ZINC000823454395 606462220 /nfs/dbraw/zinc/46/22/20/606462220.db2.gz PZYMITVNNSOIEH-UHFFFAOYSA-N -1 3 369.175 3.049 20 0 FGADHM CCCCO[C@@H]1C[C@H](OC(=O)c2cc(-c3nnn[n-]3)cs2)C1(C)C ZINC000821071891 606469055 /nfs/dbraw/zinc/46/90/55/606469055.db2.gz NGRUGRDJEDNYDM-OLZOCXBDSA-N -1 3 350.444 3.069 20 0 FGADHM CCCCO[C@@H]1C[C@H](OC(=O)c2cc(-c3nn[n-]n3)cs2)C1(C)C ZINC000821071891 606469056 /nfs/dbraw/zinc/46/90/56/606469056.db2.gz NGRUGRDJEDNYDM-OLZOCXBDSA-N -1 3 350.444 3.069 20 0 FGADHM Clc1cc(-c2nnn[n-]2)cnc1NC[C@@H]1SCCc2ccccc21 ZINC000822567895 606478295 /nfs/dbraw/zinc/47/82/95/606478295.db2.gz IHBVKBYSHRBZDR-AWEZNQCLSA-N -1 3 358.858 3.358 20 0 FGADHM Clc1cc(-c2nn[n-]n2)cnc1NC[C@@H]1SCCc2ccccc21 ZINC000822567895 606478297 /nfs/dbraw/zinc/47/82/97/606478297.db2.gz IHBVKBYSHRBZDR-AWEZNQCLSA-N -1 3 358.858 3.358 20 0 FGADHM O=C(Nc1ccc(OC(F)F)c(Cl)c1)c1cc(-c2nnn[n-]2)cs1 ZINC000823350203 606479069 /nfs/dbraw/zinc/47/90/69/606479069.db2.gz DEHCZBMXSHEEJC-UHFFFAOYSA-N -1 3 371.756 3.435 20 0 FGADHM O=C(Nc1ccc(OC(F)F)c(Cl)c1)c1cc(-c2nn[n-]n2)cs1 ZINC000823350203 606479071 /nfs/dbraw/zinc/47/90/71/606479071.db2.gz DEHCZBMXSHEEJC-UHFFFAOYSA-N -1 3 371.756 3.435 20 0 FGADHM CC(C)CN(CCc1ccc(F)cc1)C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820086663 606492050 /nfs/dbraw/zinc/49/20/50/606492050.db2.gz DJELRQFNXWWLSV-UHFFFAOYSA-N -1 3 373.457 3.408 20 0 FGADHM CC(C)CN(CCc1ccc(F)cc1)C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820086663 606492051 /nfs/dbraw/zinc/49/20/51/606492051.db2.gz DJELRQFNXWWLSV-UHFFFAOYSA-N -1 3 373.457 3.408 20 0 FGADHM O=C(NC1(c2ccc(F)cc2)CCCC1)c1cc(-c2nnn[n-]2)cs1 ZINC000823140351 606499544 /nfs/dbraw/zinc/49/95/44/606499544.db2.gz SZCUCKPEAFTGHI-UHFFFAOYSA-N -1 3 357.414 3.267 20 0 FGADHM O=C(NC1(c2ccc(F)cc2)CCCC1)c1cc(-c2nn[n-]n2)cs1 ZINC000823140351 606499546 /nfs/dbraw/zinc/49/95/46/606499546.db2.gz SZCUCKPEAFTGHI-UHFFFAOYSA-N -1 3 357.414 3.267 20 0 FGADHM CC[C@](C)(NCc1ccc(-c2nnn[n-]2)cc1OC(F)F)C(F)(F)F ZINC000820853055 606501973 /nfs/dbraw/zinc/50/19/73/606501973.db2.gz JZCBVUUAVSPTQE-ZDUSSCGKSA-N -1 3 365.306 3.289 20 0 FGADHM CC[C@](C)(NCc1ccc(-c2nn[n-]n2)cc1OC(F)F)C(F)(F)F ZINC000820853055 606501974 /nfs/dbraw/zinc/50/19/74/606501974.db2.gz JZCBVUUAVSPTQE-ZDUSSCGKSA-N -1 3 365.306 3.289 20 0 FGADHM CN(CCc1cccc2ccccc21)C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000821604710 606502877 /nfs/dbraw/zinc/50/28/77/606502877.db2.gz BRKNNVJIIYSOAJ-UHFFFAOYSA-N -1 3 363.446 3.396 20 0 FGADHM CN(CCc1cccc2ccccc21)C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000821604710 606502879 /nfs/dbraw/zinc/50/28/79/606502879.db2.gz BRKNNVJIIYSOAJ-UHFFFAOYSA-N -1 3 363.446 3.396 20 0 FGADHM O=C(NCC1(c2cccc(Cl)c2)CC1)c1cc(-c2nnn[n-]2)cs1 ZINC000823171144 606516671 /nfs/dbraw/zinc/51/66/71/606516671.db2.gz QEPOBAQQBXDZMY-UHFFFAOYSA-N -1 3 359.842 3.043 20 0 FGADHM O=C(NCC1(c2cccc(Cl)c2)CC1)c1cc(-c2nn[n-]n2)cs1 ZINC000823171144 606516673 /nfs/dbraw/zinc/51/66/73/606516673.db2.gz QEPOBAQQBXDZMY-UHFFFAOYSA-N -1 3 359.842 3.043 20 0 FGADHM C[C@H](NC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1ccc(F)c(Cl)c1 ZINC000820334174 606532179 /nfs/dbraw/zinc/53/21/79/606532179.db2.gz KIFBUGBDQADUMQ-JTQLQIEISA-N -1 3 359.792 3.079 20 0 FGADHM C[C@H](NC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1ccc(F)c(Cl)c1 ZINC000820334174 606532181 /nfs/dbraw/zinc/53/21/81/606532181.db2.gz KIFBUGBDQADUMQ-JTQLQIEISA-N -1 3 359.792 3.079 20 0 FGADHM COc1cc(COC(=O)c2cc(-c3nnn[n-]3)cs2)ccc1SC ZINC000821717723 606562185 /nfs/dbraw/zinc/56/21/85/606562185.db2.gz WJKJBHJKTFSZQH-UHFFFAOYSA-N -1 3 362.436 3.016 20 0 FGADHM COc1cc(COC(=O)c2cc(-c3nn[n-]n3)cs2)ccc1SC ZINC000821717723 606562186 /nfs/dbraw/zinc/56/21/86/606562186.db2.gz WJKJBHJKTFSZQH-UHFFFAOYSA-N -1 3 362.436 3.016 20 0 FGADHM C[C@H](NC(=O)c1cc(-c2nnn[n-]2)cs1)c1ncc(-c2ccccc2)o1 ZINC000820390239 606571430 /nfs/dbraw/zinc/57/14/30/606571430.db2.gz GMJSXADLLXCOJQ-JTQLQIEISA-N -1 3 366.406 3.074 20 0 FGADHM C[C@H](NC(=O)c1cc(-c2nn[n-]n2)cs1)c1ncc(-c2ccccc2)o1 ZINC000820390239 606571431 /nfs/dbraw/zinc/57/14/31/606571431.db2.gz GMJSXADLLXCOJQ-JTQLQIEISA-N -1 3 366.406 3.074 20 0 FGADHM Cc1ccc([C@H]2CCCCN2C(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822233519 606572003 /nfs/dbraw/zinc/57/20/03/606572003.db2.gz QMDZLZPMXOZTQI-LJQANCHMSA-N -1 3 361.449 3.471 20 0 FGADHM Cc1ccc([C@H]2CCCCN2C(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822233519 606572005 /nfs/dbraw/zinc/57/20/05/606572005.db2.gz QMDZLZPMXOZTQI-LJQANCHMSA-N -1 3 361.449 3.471 20 0 FGADHM C[C@H]1CCN(C(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)[C@H]1C ZINC000820717486 606580676 /nfs/dbraw/zinc/58/06/76/606580676.db2.gz QTHVFQQLYZGCIH-KBPBESRZSA-N -1 3 362.437 3.481 20 0 FGADHM CCCCCC(C)(C)C(=O)N(CCOC)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000821043746 606602244 /nfs/dbraw/zinc/60/22/44/606602244.db2.gz UCURQFYQVQYVMT-UHFFFAOYSA-N -1 3 373.501 3.448 20 0 FGADHM CCCCCC(C)(C)C(=O)N(CCOC)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000821043746 606602245 /nfs/dbraw/zinc/60/22/45/606602245.db2.gz UCURQFYQVQYVMT-UHFFFAOYSA-N -1 3 373.501 3.448 20 0 FGADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCCC2)C1CC(F)(F)C1 ZINC000823387273 606621479 /nfs/dbraw/zinc/62/14/79/606621479.db2.gz HBQAMSDQWNSNMQ-UHFFFAOYSA-N -1 3 353.398 3.181 20 0 FGADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCCC2)C1CC(F)(F)C1 ZINC000823387273 606621481 /nfs/dbraw/zinc/62/14/81/606621481.db2.gz HBQAMSDQWNSNMQ-UHFFFAOYSA-N -1 3 353.398 3.181 20 0 FGADHM CCS[C@@H]1CCCC[C@@H]1NC(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000821457708 606626843 /nfs/dbraw/zinc/62/68/43/606626843.db2.gz ZRXJQECWNYBQOG-UONOGXRCSA-N -1 3 362.528 3.217 20 0 FGADHM CCS[C@@H]1CCCC[C@@H]1NC(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000821457708 606626844 /nfs/dbraw/zinc/62/68/44/606626844.db2.gz ZRXJQECWNYBQOG-UONOGXRCSA-N -1 3 362.528 3.217 20 0 FGADHM C[C@@H]1CCCC[C@H]1NC(=O)CSc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000820703353 606630439 /nfs/dbraw/zinc/63/04/39/606630439.db2.gz DXAURVPELIFKSI-ZWNOBZJWSA-N -1 3 365.890 3.307 20 0 FGADHM C[C@@H]1CCCC[C@H]1NC(=O)CSc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000820703353 606630441 /nfs/dbraw/zinc/63/04/41/606630441.db2.gz DXAURVPELIFKSI-ZWNOBZJWSA-N -1 3 365.890 3.307 20 0 FGADHM Cc1cnc(NC(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)o1 ZINC000822394987 606645879 /nfs/dbraw/zinc/64/58/79/606645879.db2.gz NKYSNXHJTAPYAV-UHFFFAOYSA-N -1 3 362.349 3.208 20 0 FGADHM CSc1ccccc1NCC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821990879 606658566 /nfs/dbraw/zinc/65/85/66/606658566.db2.gz XNIVVWCMEPISBK-UHFFFAOYSA-N -1 3 374.857 3.293 20 0 FGADHM CSc1ccccc1NCC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821990879 606658567 /nfs/dbraw/zinc/65/85/67/606658567.db2.gz XNIVVWCMEPISBK-UHFFFAOYSA-N -1 3 374.857 3.293 20 0 FGADHM O=C(Nc1ccc(F)c(Cl)c1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823337570 606661435 /nfs/dbraw/zinc/66/14/35/606661435.db2.gz NYFUHDVSMPFVPH-UHFFFAOYSA-N -1 3 353.691 3.190 20 0 FGADHM O=C(Nc1ccc(F)c(Cl)c1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823337570 606661436 /nfs/dbraw/zinc/66/14/36/606661436.db2.gz NYFUHDVSMPFVPH-UHFFFAOYSA-N -1 3 353.691 3.190 20 0 FGADHM C[C@@H](NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1cccc(Cl)c1 ZINC000820384314 606661762 /nfs/dbraw/zinc/66/17/62/606661762.db2.gz BDUGHXFBQKTYAT-MRVPVSSYSA-N -1 3 363.755 3.289 20 0 FGADHM C[C@@H](NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1cccc(Cl)c1 ZINC000820384314 606661763 /nfs/dbraw/zinc/66/17/63/606661763.db2.gz BDUGHXFBQKTYAT-MRVPVSSYSA-N -1 3 363.755 3.289 20 0 FGADHM COc1c(F)ccc(F)c1C(=O)Nc1sc(C)c(C)c1-c1nnn[n-]1 ZINC000821698586 606664469 /nfs/dbraw/zinc/66/44/69/606664469.db2.gz QBLUCEMUCMTUPM-UHFFFAOYSA-N -1 3 365.365 3.084 20 0 FGADHM COc1c(F)ccc(F)c1C(=O)Nc1sc(C)c(C)c1-c1nn[n-]n1 ZINC000821698586 606664470 /nfs/dbraw/zinc/66/44/70/606664470.db2.gz QBLUCEMUCMTUPM-UHFFFAOYSA-N -1 3 365.365 3.084 20 0 FGADHM O=C(Nc1cccc(-n2cccc2)c1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823363401 606667517 /nfs/dbraw/zinc/66/75/17/606667517.db2.gz BTSBBACOMNDJOA-UHFFFAOYSA-N -1 3 366.331 3.188 20 0 FGADHM O=C(Nc1cccc(-n2cccc2)c1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823363401 606667518 /nfs/dbraw/zinc/66/75/18/606667518.db2.gz BTSBBACOMNDJOA-UHFFFAOYSA-N -1 3 366.331 3.188 20 0 FGADHM O=C(c1c(F)cc(-c2nnn[n-]2)cc1F)N(Cc1cccs1)C1CC1 ZINC000823454290 606669802 /nfs/dbraw/zinc/66/98/02/606669802.db2.gz MNJRCIXNLBPBEK-UHFFFAOYSA-N -1 3 361.377 3.011 20 0 FGADHM O=C(c1c(F)cc(-c2nn[n-]n2)cc1F)N(Cc1cccs1)C1CC1 ZINC000823454290 606669803 /nfs/dbraw/zinc/66/98/03/606669803.db2.gz MNJRCIXNLBPBEK-UHFFFAOYSA-N -1 3 361.377 3.011 20 0 FGADHM Cc1ccc([C@H](C)NC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1F ZINC000822228818 606671180 /nfs/dbraw/zinc/67/11/80/606671180.db2.gz GGJUONSNTZRFLW-OLZOCXBDSA-N -1 3 368.416 3.436 20 0 FGADHM Cc1ccc([C@H](C)NC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1F ZINC000822228818 606671181 /nfs/dbraw/zinc/67/11/81/606671181.db2.gz GGJUONSNTZRFLW-OLZOCXBDSA-N -1 3 368.416 3.436 20 0 FGADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2cc(OC)c(OC)cc2C)s1 ZINC000821465152 606674439 /nfs/dbraw/zinc/67/44/39/606674439.db2.gz CLJOVLAOBOAAQK-UHFFFAOYSA-N -1 3 373.438 3.069 20 0 FGADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2cc(OC)c(OC)cc2C)s1 ZINC000821465152 606674440 /nfs/dbraw/zinc/67/44/40/606674440.db2.gz CLJOVLAOBOAAQK-UHFFFAOYSA-N -1 3 373.438 3.069 20 0 FGADHM O=C(c1c(F)cc(-c2nnn[n-]2)cc1F)N1CCc2ccc(Cl)cc21 ZINC000823460767 606675684 /nfs/dbraw/zinc/67/56/84/606675684.db2.gz UIXKTKYVXTYTIW-UHFFFAOYSA-N -1 3 361.739 3.001 20 0 FGADHM O=C(c1c(F)cc(-c2nn[n-]n2)cc1F)N1CCc2ccc(Cl)cc21 ZINC000823460767 606675685 /nfs/dbraw/zinc/67/56/85/606675685.db2.gz UIXKTKYVXTYTIW-UHFFFAOYSA-N -1 3 361.739 3.001 20 0 FGADHM Cc1nc(CC(C)C)c(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)s1 ZINC000822436267 606677436 /nfs/dbraw/zinc/67/74/36/606677436.db2.gz KEZUAFVZJWSBSM-UHFFFAOYSA-N -1 3 360.418 3.222 20 0 FGADHM Cc1nc(CC(C)C)c(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)s1 ZINC000822436267 606677437 /nfs/dbraw/zinc/67/74/37/606677437.db2.gz KEZUAFVZJWSBSM-UHFFFAOYSA-N -1 3 360.418 3.222 20 0 FGADHM O=C(c1c(F)cc(-c2nnn[n-]2)cc1F)N1CCC[C@]2(CC=CCC2)C1 ZINC000823454734 606680180 /nfs/dbraw/zinc/68/01/80/606680180.db2.gz SIHCBDZQGGOOGI-GOSISDBHSA-N -1 3 359.380 3.107 20 0 FGADHM O=C(c1c(F)cc(-c2nn[n-]n2)cc1F)N1CCC[C@]2(CC=CCC2)C1 ZINC000823454734 606680181 /nfs/dbraw/zinc/68/01/81/606680181.db2.gz SIHCBDZQGGOOGI-GOSISDBHSA-N -1 3 359.380 3.107 20 0 FGADHM CC[C@@H](Cc1ccccc1)N(C)C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820914572 606682534 /nfs/dbraw/zinc/68/25/34/606682534.db2.gz PECJKSWLYUMDGJ-AWEZNQCLSA-N -1 3 371.391 3.238 20 0 FGADHM CC[C@@H](Cc1ccccc1)N(C)C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820914572 606682535 /nfs/dbraw/zinc/68/25/35/606682535.db2.gz PECJKSWLYUMDGJ-AWEZNQCLSA-N -1 3 371.391 3.238 20 0 FGADHM C[C@H](OC(=O)CCc1ccc(-c2nnn[n-]2)cc1)c1cc(F)cc(F)c1 ZINC000820497030 606686410 /nfs/dbraw/zinc/68/64/10/606686410.db2.gz OQTPAKXDHWUZGH-NSHDSACASA-N -1 3 358.348 3.382 20 0 FGADHM C[C@H](OC(=O)CCc1ccc(-c2nn[n-]n2)cc1)c1cc(F)cc(F)c1 ZINC000820497030 606686411 /nfs/dbraw/zinc/68/64/11/606686411.db2.gz OQTPAKXDHWUZGH-NSHDSACASA-N -1 3 358.348 3.382 20 0 FGADHM CC1(C)CN(C(=O)c2cc(-c3nnn[n-]3)cs2)c2ccccc2S1 ZINC000820601728 606693311 /nfs/dbraw/zinc/69/33/11/606693311.db2.gz SQLWUZGRNWPCMT-UHFFFAOYSA-N -1 3 357.464 3.459 20 0 FGADHM CC1(C)CN(C(=O)c2cc(-c3nn[n-]n3)cs2)c2ccccc2S1 ZINC000820601728 606693312 /nfs/dbraw/zinc/69/33/12/606693312.db2.gz SQLWUZGRNWPCMT-UHFFFAOYSA-N -1 3 357.464 3.459 20 0 FGADHM CC1(C)CN(C(=O)Cc2ccc(-c3nnn[n-]3)cc2)c2ccccc2S1 ZINC000820601633 606693401 /nfs/dbraw/zinc/69/34/01/606693401.db2.gz QABYDZRCLSIKDW-UHFFFAOYSA-N -1 3 365.462 3.327 20 0 FGADHM CC1(C)CN(C(=O)Cc2ccc(-c3nn[n-]n3)cc2)c2ccccc2S1 ZINC000820601633 606693402 /nfs/dbraw/zinc/69/34/02/606693402.db2.gz QABYDZRCLSIKDW-UHFFFAOYSA-N -1 3 365.462 3.327 20 0 FGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CC[C@@H](C(C)C)C1 ZINC000820151269 606696307 /nfs/dbraw/zinc/69/63/07/606696307.db2.gz FMLZUSLBMYYFDN-CQSZACIVSA-N -1 3 358.446 3.164 20 0 FGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CC[C@@H](C(C)C)C1 ZINC000820151269 606696308 /nfs/dbraw/zinc/69/63/08/606696308.db2.gz FMLZUSLBMYYFDN-CQSZACIVSA-N -1 3 358.446 3.164 20 0 FGADHM CCCc1ccc(COC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1 ZINC000821139312 606758843 /nfs/dbraw/zinc/75/88/43/606758843.db2.gz SUBPEBCPXCAFJF-UHFFFAOYSA-N -1 3 358.348 3.454 20 0 FGADHM CCCc1ccc(COC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1 ZINC000821139312 606758846 /nfs/dbraw/zinc/75/88/46/606758846.db2.gz SUBPEBCPXCAFJF-UHFFFAOYSA-N -1 3 358.348 3.454 20 0 FGADHM CCOc1cc(C)ccc1CNC(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000821394127 606764778 /nfs/dbraw/zinc/76/47/78/606764778.db2.gz HGAIRMCDPPGNNF-UHFFFAOYSA-N -1 3 368.466 3.060 20 0 FGADHM CCOc1cc(C)ccc1CNC(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000821394127 606764779 /nfs/dbraw/zinc/76/47/79/606764779.db2.gz HGAIRMCDPPGNNF-UHFFFAOYSA-N -1 3 368.466 3.060 20 0 FGADHM CC[C@@H](OC1CCCCC1)C(=O)OCc1ccc(-c2nnn[n-]2)cc1F ZINC000820939642 606768194 /nfs/dbraw/zinc/76/81/94/606768194.db2.gz WPRRKPOWGSVKNL-MRXNPFEDSA-N -1 3 362.405 3.177 20 0 FGADHM CC[C@@H](OC1CCCCC1)C(=O)OCc1ccc(-c2nn[n-]n2)cc1F ZINC000820939642 606768196 /nfs/dbraw/zinc/76/81/96/606768196.db2.gz WPRRKPOWGSVKNL-MRXNPFEDSA-N -1 3 362.405 3.177 20 0 FGADHM Cc1ccc(Cl)c(N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)c1 ZINC000822240033 606777040 /nfs/dbraw/zinc/77/70/40/606777040.db2.gz PFDPZJROFCJHAH-OAHLLOKOSA-N -1 3 368.828 3.046 20 0 FGADHM Cc1ccc(Cl)c(N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)c1 ZINC000822240033 606777041 /nfs/dbraw/zinc/77/70/41/606777041.db2.gz PFDPZJROFCJHAH-OAHLLOKOSA-N -1 3 368.828 3.046 20 0 FGADHM Clc1ccc(-c2nnn[n-]2)c(OCc2ccn(-c3ccccc3)n2)c1 ZINC000822567443 606783253 /nfs/dbraw/zinc/78/32/53/606783253.db2.gz BKRFEXDQWLUJQL-UHFFFAOYSA-N -1 3 352.785 3.285 20 0 FGADHM Clc1ccc(-c2nn[n-]n2)c(OCc2ccn(-c3ccccc3)n2)c1 ZINC000822567443 606783255 /nfs/dbraw/zinc/78/32/55/606783255.db2.gz BKRFEXDQWLUJQL-UHFFFAOYSA-N -1 3 352.785 3.285 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)c1cccc(C(C)C)n1 ZINC000821389308 606799680 /nfs/dbraw/zinc/79/96/80/606799680.db2.gz ITMLKCPONNWPHK-UHFFFAOYSA-N -1 3 353.382 3.003 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)c1cccc(C(C)C)n1 ZINC000821389308 606799682 /nfs/dbraw/zinc/79/96/82/606799682.db2.gz ITMLKCPONNWPHK-UHFFFAOYSA-N -1 3 353.382 3.003 20 0 FGADHM COc1ccccc1N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000821899329 606809348 /nfs/dbraw/zinc/80/93/48/606809348.db2.gz XKUKUXPSRUWEHN-CYBMUJFWSA-N -1 3 370.844 3.220 20 0 FGADHM COc1ccccc1N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000821899329 606809350 /nfs/dbraw/zinc/80/93/50/606809350.db2.gz XKUKUXPSRUWEHN-CYBMUJFWSA-N -1 3 370.844 3.220 20 0 FGADHM CN(c1ccccc1NC(=O)c1ccc(-c2nnn[n-]2)cc1)C1CCCC1 ZINC000821619434 606809629 /nfs/dbraw/zinc/80/96/29/606809629.db2.gz XFPIQZBYHMCWDF-UHFFFAOYSA-N -1 3 362.437 3.498 20 0 FGADHM CN(c1ccccc1NC(=O)c1ccc(-c2nn[n-]n2)cc1)C1CCCC1 ZINC000821619434 606809630 /nfs/dbraw/zinc/80/96/30/606809630.db2.gz XFPIQZBYHMCWDF-UHFFFAOYSA-N -1 3 362.437 3.498 20 0 FGADHM CCCC[C@H](NC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1)C1CCC1 ZINC000821042555 606816556 /nfs/dbraw/zinc/81/65/56/606816556.db2.gz DWSBRFOLQFBBAO-BBRMVZONSA-N -1 3 357.458 3.109 20 0 FGADHM CCCC[C@H](NC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1)C1CCC1 ZINC000821042555 606816558 /nfs/dbraw/zinc/81/65/58/606816558.db2.gz DWSBRFOLQFBBAO-BBRMVZONSA-N -1 3 357.458 3.109 20 0 FGADHM CCOc1ccc(CNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)nc1 ZINC000821422325 606828341 /nfs/dbraw/zinc/82/83/41/606828341.db2.gz UFWQMPASWKNPOL-UHFFFAOYSA-N -1 3 364.331 3.291 20 0 FGADHM CCOc1ccc(CNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)nc1 ZINC000821422325 606828342 /nfs/dbraw/zinc/82/83/42/606828342.db2.gz UFWQMPASWKNPOL-UHFFFAOYSA-N -1 3 364.331 3.291 20 0 FGADHM CCCC[C@@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F)C1CCC1 ZINC000821044026 606832617 /nfs/dbraw/zinc/83/26/17/606832617.db2.gz XCUUFUOABFNVFC-MRXNPFEDSA-N -1 3 360.437 3.164 20 0 FGADHM CCCC[C@@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F)C1CCC1 ZINC000821044026 606832618 /nfs/dbraw/zinc/83/26/18/606832618.db2.gz XCUUFUOABFNVFC-MRXNPFEDSA-N -1 3 360.437 3.164 20 0 FGADHM Cc1c2nc(NC(=O)c3cccc(-c4nnn[n-]4)c3)sc2ccc1F ZINC000822034417 606833561 /nfs/dbraw/zinc/83/35/61/606833561.db2.gz CGGHNDUEKRTMPP-UHFFFAOYSA-N -1 3 354.370 3.176 20 0 FGADHM Cc1c2nc(NC(=O)c3cccc(-c4nn[n-]n4)c3)sc2ccc1F ZINC000822034417 606833563 /nfs/dbraw/zinc/83/35/63/606833563.db2.gz CGGHNDUEKRTMPP-UHFFFAOYSA-N -1 3 354.370 3.176 20 0 FGADHM CC[C@@H]1CCC[C@@H]1NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000820972017 606837450 /nfs/dbraw/zinc/83/74/50/606837450.db2.gz JLEGOSVXUPYCII-PBHICJAKSA-N -1 3 354.458 3.119 20 0 FGADHM CC[C@@H]1CCC[C@@H]1NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000820972017 606837451 /nfs/dbraw/zinc/83/74/51/606837451.db2.gz JLEGOSVXUPYCII-PBHICJAKSA-N -1 3 354.458 3.119 20 0 FGADHM C[C@@H]1CC[C@@H](C(=O)Oc2ccc(-c3ccc(-c4nnn[n-]4)cc3)cc2)O1 ZINC000820674664 606838738 /nfs/dbraw/zinc/83/87/38/606838738.db2.gz FNJMMGQOPURRSF-PXAZEXFGSA-N -1 3 350.378 3.007 20 0 FGADHM C[C@@H]1CC[C@@H](C(=O)Oc2ccc(-c3ccc(-c4nn[n-]n4)cc3)cc2)O1 ZINC000820674664 606838740 /nfs/dbraw/zinc/83/87/40/606838740.db2.gz FNJMMGQOPURRSF-PXAZEXFGSA-N -1 3 350.378 3.007 20 0 FGADHM CC(C)c1nnc(CSCCCOc2cccc(-c3nnn[n-]3)c2)o1 ZINC000820206345 606840629 /nfs/dbraw/zinc/84/06/29/606840629.db2.gz IRIVOSMEAXXDLB-UHFFFAOYSA-N -1 3 360.443 3.075 20 0 FGADHM CC(C)c1nnc(CSCCCOc2cccc(-c3nn[n-]n3)c2)o1 ZINC000820206345 606840630 /nfs/dbraw/zinc/84/06/30/606840630.db2.gz IRIVOSMEAXXDLB-UHFFFAOYSA-N -1 3 360.443 3.075 20 0 FGADHM CC(C)N(C(=O)CSc1ccc(-c2nnn[n-]2)cc1Cl)C(C)C ZINC000820111654 606848946 /nfs/dbraw/zinc/84/89/46/606848946.db2.gz FKEVALILAAUFAD-UHFFFAOYSA-N -1 3 353.879 3.258 20 0 FGADHM CC(C)N(C(=O)CSc1ccc(-c2nn[n-]n2)cc1Cl)C(C)C ZINC000820111654 606848948 /nfs/dbraw/zinc/84/89/48/606848948.db2.gz FKEVALILAAUFAD-UHFFFAOYSA-N -1 3 353.879 3.258 20 0 FGADHM O=C(COC/C=C/c1ccccc1)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000823032139 606853140 /nfs/dbraw/zinc/85/31/40/606853140.db2.gz OLARWWDICYDXER-QPJJXVBHSA-N -1 3 369.812 3.189 20 0 FGADHM O=C(COC/C=C/c1ccccc1)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000823032139 606853141 /nfs/dbraw/zinc/85/31/41/606853141.db2.gz OLARWWDICYDXER-QPJJXVBHSA-N -1 3 369.812 3.189 20 0 FGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1Cl)NCC1CCCCC1 ZINC000823066242 606854422 /nfs/dbraw/zinc/85/44/22/606854422.db2.gz RKUHHHBAHKAWDL-UHFFFAOYSA-N -1 3 365.890 3.309 20 0 FGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1Cl)NCC1CCCCC1 ZINC000823066242 606854423 /nfs/dbraw/zinc/85/44/23/606854423.db2.gz RKUHHHBAHKAWDL-UHFFFAOYSA-N -1 3 365.890 3.309 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)c1cc(F)c(C)cc1F ZINC000821390627 606860229 /nfs/dbraw/zinc/86/02/29/606860229.db2.gz ZYFUGLIQYQCNOO-UHFFFAOYSA-N -1 3 360.320 3.071 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)c1cc(F)c(C)cc1F ZINC000821390627 606860230 /nfs/dbraw/zinc/86/02/30/606860230.db2.gz ZYFUGLIQYQCNOO-UHFFFAOYSA-N -1 3 360.320 3.071 20 0 FGADHM Cc1ncc(COC(=O)c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)s1 ZINC000822472777 606863260 /nfs/dbraw/zinc/86/32/60/606863260.db2.gz ZXJAVEAIIMRAON-UHFFFAOYSA-N -1 3 369.328 3.007 20 0 FGADHM Cc1ncc(COC(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)s1 ZINC000822472777 606863262 /nfs/dbraw/zinc/86/32/62/606863262.db2.gz ZXJAVEAIIMRAON-UHFFFAOYSA-N -1 3 369.328 3.007 20 0 FGADHM CCS[C@@H]1CC[C@H](N(C)C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)C1 ZINC000821449975 606905731 /nfs/dbraw/zinc/90/57/31/606905731.db2.gz YXNVVWUQOLGBJX-UONOGXRCSA-N -1 3 360.487 3.313 20 0 FGADHM CCS[C@@H]1CC[C@H](N(C)C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)C1 ZINC000821449975 606905732 /nfs/dbraw/zinc/90/57/32/606905732.db2.gz YXNVVWUQOLGBJX-UONOGXRCSA-N -1 3 360.487 3.313 20 0 FGADHM C[C@](O)(CNc1ccc(C(F)(F)F)cc1-c1nnn[n-]1)c1ccsc1 ZINC000820467252 606912415 /nfs/dbraw/zinc/91/24/15/606912415.db2.gz CLLOINNUVVRFKK-AWEZNQCLSA-N -1 3 369.372 3.267 20 0 FGADHM C[C@](O)(CNc1ccc(C(F)(F)F)cc1-c1nn[n-]n1)c1ccsc1 ZINC000820467252 606912417 /nfs/dbraw/zinc/91/24/17/606912417.db2.gz CLLOINNUVVRFKK-AWEZNQCLSA-N -1 3 369.372 3.267 20 0 FGADHM CCc1nnc(NCc2ccc(OC(C)C)cc2)c(-c2nnn[n-]2)c1CC ZINC000821541936 606919533 /nfs/dbraw/zinc/91/95/33/606919533.db2.gz DRSXKVZIRSYYMV-UHFFFAOYSA-N -1 3 367.457 3.181 20 0 FGADHM CCc1nnc(NCc2ccc(OC(C)C)cc2)c(-c2nn[n-]n2)c1CC ZINC000821541936 606919534 /nfs/dbraw/zinc/91/95/34/606919534.db2.gz DRSXKVZIRSYYMV-UHFFFAOYSA-N -1 3 367.457 3.181 20 0 FGADHM CCc1nnc(N2CC[C@H](c3ccccc3C)C2)c(-c2nnn[n-]2)c1CC ZINC000821521046 606928718 /nfs/dbraw/zinc/92/87/18/606928718.db2.gz DRUOUAXLFKFBGN-AWEZNQCLSA-N -1 3 363.469 3.084 20 0 FGADHM CCc1nnc(N2CC[C@H](c3ccccc3C)C2)c(-c2nn[n-]n2)c1CC ZINC000821521046 606928719 /nfs/dbraw/zinc/92/87/19/606928719.db2.gz DRUOUAXLFKFBGN-AWEZNQCLSA-N -1 3 363.469 3.084 20 0 FGADHM CC(C)n1ccnc1CNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820214575 606930401 /nfs/dbraw/zinc/93/04/01/606930401.db2.gz JPJBCVKCJIKCCK-UHFFFAOYSA-N -1 3 351.336 3.275 20 0 FGADHM CC(C)n1ccnc1CNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820214575 606930402 /nfs/dbraw/zinc/93/04/02/606930402.db2.gz JPJBCVKCJIKCCK-UHFFFAOYSA-N -1 3 351.336 3.275 20 0 FGADHM Cc1ccccc1CC1CN(c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)C1 ZINC000822356448 606945052 /nfs/dbraw/zinc/94/50/52/606945052.db2.gz SXCGPFTWDMXQHY-UHFFFAOYSA-N -1 3 374.370 3.268 20 0 FGADHM Cc1ccccc1CC1CN(c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)C1 ZINC000822356448 606945053 /nfs/dbraw/zinc/94/50/53/606945053.db2.gz SXCGPFTWDMXQHY-UHFFFAOYSA-N -1 3 374.370 3.268 20 0 FGADHM O=C(OC/C(Cl)=C\Cl)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000823396693 606951967 /nfs/dbraw/zinc/95/19/67/606951967.db2.gz MFQQEHFTZPFKIG-QPJJXVBHSA-N -1 3 367.114 3.361 20 0 FGADHM O=C(OC/C(Cl)=C\Cl)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000823396693 606951969 /nfs/dbraw/zinc/95/19/69/606951969.db2.gz MFQQEHFTZPFKIG-QPJJXVBHSA-N -1 3 367.114 3.361 20 0 FGADHM Cc1ccc(NC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)c(F)c1 ZINC000822242191 606985732 /nfs/dbraw/zinc/98/57/32/606985732.db2.gz DFQKTETWRFICKI-UHFFFAOYSA-N -1 3 355.373 3.110 20 0 FGADHM c1ccc(-c2nnn[n-]2)c(OCCSCc2cccc3nsnc32)c1 ZINC000823771601 606988146 /nfs/dbraw/zinc/98/81/46/606988146.db2.gz AVYSRXUXWDOJKU-UHFFFAOYSA-N -1 3 370.463 3.184 20 0 FGADHM c1ccc(-c2nn[n-]n2)c(OCCSCc2cccc3nsnc32)c1 ZINC000823771601 606988148 /nfs/dbraw/zinc/98/81/48/606988148.db2.gz AVYSRXUXWDOJKU-UHFFFAOYSA-N -1 3 370.463 3.184 20 0 FGADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Cc1ccc(C(C)(C)C)cc1 ZINC000821612396 606992260 /nfs/dbraw/zinc/99/22/60/606992260.db2.gz UAJXJFXIKBPWDH-UHFFFAOYSA-N -1 3 363.465 3.365 20 0 FGADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Cc1ccc(C(C)(C)C)cc1 ZINC000821612396 606992262 /nfs/dbraw/zinc/99/22/62/606992262.db2.gz UAJXJFXIKBPWDH-UHFFFAOYSA-N -1 3 363.465 3.365 20 0 FGADHM FC(F)(F)[C@H](Cc1ccccc1)NCc1ccc(-c2nnn[n-]2)s1 ZINC000822714342 607008723 /nfs/dbraw/zinc/00/87/23/607008723.db2.gz LLHLAQIKWQRSBN-ZDUSSCGKSA-N -1 3 353.373 3.191 20 0 FGADHM CC(C)(C)OC(=O)N1CC[C@H](CSc2cccc(-c3nnn[n-]3)c2)C1 ZINC000819933423 607010026 /nfs/dbraw/zinc/01/00/26/607010026.db2.gz RETKZTMWBWWTPK-LBPRGKRZSA-N -1 3 361.471 3.216 20 0 FGADHM CC(C)(C)OC(=O)N1CC[C@H](CSc2cccc(-c3nn[n-]n3)c2)C1 ZINC000819933423 607010027 /nfs/dbraw/zinc/01/00/27/607010027.db2.gz RETKZTMWBWWTPK-LBPRGKRZSA-N -1 3 361.471 3.216 20 0 FGADHM CCOC(=O)[C@H](Cc1ccccc1)Sc1cccc(-c2nnn[n-]2)c1 ZINC000821320184 607016769 /nfs/dbraw/zinc/01/67/69/607016769.db2.gz MCKVBVRXGCNCSN-INIZCTEOSA-N -1 3 354.435 3.133 20 0 FGADHM CCOC(=O)[C@H](Cc1ccccc1)Sc1cccc(-c2nn[n-]n2)c1 ZINC000821320184 607016770 /nfs/dbraw/zinc/01/67/70/607016770.db2.gz MCKVBVRXGCNCSN-INIZCTEOSA-N -1 3 354.435 3.133 20 0 FGADHM Clc1cc(-c2nnn[n-]2)cnc1N1CC(c2nc3ccccc3s2)C1 ZINC000822562661 607019469 /nfs/dbraw/zinc/01/94/69/607019469.db2.gz CRAXLWGUCAGJHH-UHFFFAOYSA-N -1 3 369.841 3.129 20 0 FGADHM Clc1cc(-c2nn[n-]n2)cnc1N1CC(c2nc3ccccc3s2)C1 ZINC000822562661 607019470 /nfs/dbraw/zinc/01/94/70/607019470.db2.gz CRAXLWGUCAGJHH-UHFFFAOYSA-N -1 3 369.841 3.129 20 0 FGADHM COc1cccc([C@@H]2CN(c3ccc(-c4nnn[n-]4)c(Cl)c3)CCO2)c1 ZINC000821863490 607039592 /nfs/dbraw/zinc/03/95/92/607039592.db2.gz LWWKEEWTYVRXRH-KRWDZBQOSA-N -1 3 371.828 3.107 20 0 FGADHM COc1cccc([C@@H]2CN(c3ccc(-c4nn[n-]n4)c(Cl)c3)CCO2)c1 ZINC000821863490 607039593 /nfs/dbraw/zinc/03/95/93/607039593.db2.gz LWWKEEWTYVRXRH-KRWDZBQOSA-N -1 3 371.828 3.107 20 0 FGADHM Brc1ccc(Oc2cnc3ccccc3n2)c(-c2nnn[n-]2)c1 ZINC000819689135 607045479 /nfs/dbraw/zinc/04/54/79/607045479.db2.gz WBABYBZKXCGONM-UHFFFAOYSA-N -1 3 369.182 3.365 20 0 FGADHM Brc1ccc(Oc2cnc3ccccc3n2)c(-c2nn[n-]n2)c1 ZINC000819689135 607045481 /nfs/dbraw/zinc/04/54/81/607045481.db2.gz WBABYBZKXCGONM-UHFFFAOYSA-N -1 3 369.182 3.365 20 0 FGADHM CC[C@]1(C)CCCN(C(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820949505 607049840 /nfs/dbraw/zinc/04/98/40/607049840.db2.gz BJYFWBWPRIJKRN-LJQANCHMSA-N -1 3 357.458 3.063 20 0 FGADHM CC[C@]1(C)CCCN(C(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820949505 607049842 /nfs/dbraw/zinc/04/98/42/607049842.db2.gz BJYFWBWPRIJKRN-LJQANCHMSA-N -1 3 357.458 3.063 20 0 FGADHM Cc1c2cc(C)ccc2[nH]c1C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822270979 607051942 /nfs/dbraw/zinc/05/19/42/607051942.db2.gz GTSGDXSXMANZOI-CYBMUJFWSA-N -1 3 360.421 3.456 20 0 FGADHM Cc1c2cc(C)ccc2[nH]c1C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822270979 607051943 /nfs/dbraw/zinc/05/19/43/607051943.db2.gz GTSGDXSXMANZOI-CYBMUJFWSA-N -1 3 360.421 3.456 20 0 FGADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)C[C@H]1CC[C@@H](C)C1 ZINC000821699406 607052870 /nfs/dbraw/zinc/05/28/70/607052870.db2.gz OVODPOXXBQPUNW-ZJUUUORDSA-N -1 3 350.806 3.260 20 0 FGADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)C[C@H]1CC[C@@H](C)C1 ZINC000821699406 607052872 /nfs/dbraw/zinc/05/28/72/607052872.db2.gz OVODPOXXBQPUNW-ZJUUUORDSA-N -1 3 350.806 3.260 20 0 FGADHM CCOc1cc(Cl)ccc1NC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000821393853 607054206 /nfs/dbraw/zinc/05/42/06/607054206.db2.gz DGVQZDCJWPCPTQ-UHFFFAOYSA-N -1 3 357.801 3.100 20 0 FGADHM CCOc1cc(Cl)ccc1NC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000821393853 607054207 /nfs/dbraw/zinc/05/42/07/607054207.db2.gz DGVQZDCJWPCPTQ-UHFFFAOYSA-N -1 3 357.801 3.100 20 0 FGADHM C[C@@H](NCc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1OC(F)F ZINC000820427624 607056959 /nfs/dbraw/zinc/05/69/59/607056959.db2.gz ULDXKVMJLPUJHA-SNVBAGLBSA-N -1 3 363.343 3.458 20 0 FGADHM Cc1ccc2[nH]c3c(c2c1)CN(Cc1cc(F)ccc1-c1nnn[n-]1)CC3 ZINC000822275870 607064946 /nfs/dbraw/zinc/06/49/46/607064946.db2.gz YRQBRSNNMVLEDY-UHFFFAOYSA-N -1 3 362.412 3.354 20 0 FGADHM Cc1ccc2[nH]c3c(c2c1)CN(Cc1cc(F)ccc1-c1nn[n-]n1)CC3 ZINC000822275870 607064947 /nfs/dbraw/zinc/06/49/47/607064947.db2.gz YRQBRSNNMVLEDY-UHFFFAOYSA-N -1 3 362.412 3.354 20 0 FGADHM Cc1cccc(C2(C(=O)OCc3cc(F)ccc3-c3nnn[n-]3)CC2)c1 ZINC000822299902 607080814 /nfs/dbraw/zinc/08/08/14/607080814.db2.gz YXZPJXLQPLUEIL-UHFFFAOYSA-N -1 3 352.369 3.089 20 0 FGADHM Cc1cccc(C2(C(=O)OCc3cc(F)ccc3-c3nn[n-]n3)CC2)c1 ZINC000822299902 607080816 /nfs/dbraw/zinc/08/08/16/607080816.db2.gz YXZPJXLQPLUEIL-UHFFFAOYSA-N -1 3 352.369 3.089 20 0 FGADHM C[C@@H](Cc1ccccc1)OC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000820299795 607082305 /nfs/dbraw/zinc/08/23/05/607082305.db2.gz KPNWJJXNSWFQTD-AWEZNQCLSA-N -1 3 366.421 3.199 20 0 FGADHM C[C@@H](Cc1ccccc1)OC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000820299795 607082307 /nfs/dbraw/zinc/08/23/07/607082307.db2.gz KPNWJJXNSWFQTD-AWEZNQCLSA-N -1 3 366.421 3.199 20 0 FGADHM CC[C@@H](Oc1ccccc1C)C(=O)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000820939291 607085467 /nfs/dbraw/zinc/08/54/67/607085467.db2.gz SQHMEHGKZRBBCO-MRXNPFEDSA-N -1 3 370.384 3.215 20 0 FGADHM CC[C@@H](Oc1ccccc1C)C(=O)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000820939291 607085469 /nfs/dbraw/zinc/08/54/69/607085469.db2.gz SQHMEHGKZRBBCO-MRXNPFEDSA-N -1 3 370.384 3.215 20 0 FGADHM CC[C@@H](Oc1cccc(C)c1)C(=O)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000820938024 607085694 /nfs/dbraw/zinc/08/56/94/607085694.db2.gz GPXZULFAOQGDJJ-QGZVFWFLSA-N -1 3 370.384 3.215 20 0 FGADHM CC[C@@H](Oc1cccc(C)c1)C(=O)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000820938024 607085696 /nfs/dbraw/zinc/08/56/96/607085696.db2.gz GPXZULFAOQGDJJ-QGZVFWFLSA-N -1 3 370.384 3.215 20 0 FGADHM O=C(C/C=C\c1ccc(F)cc1)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000822945372 607086143 /nfs/dbraw/zinc/08/61/43/607086143.db2.gz CLBDTQDBNRGVIV-UPHRSURJSA-N -1 3 356.332 3.292 20 0 FGADHM O=C(C/C=C\c1ccc(F)cc1)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000822945372 607086144 /nfs/dbraw/zinc/08/61/44/607086144.db2.gz CLBDTQDBNRGVIV-UPHRSURJSA-N -1 3 356.332 3.292 20 0 FGADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc2cccc(F)c2o1 ZINC000821304564 607100701 /nfs/dbraw/zinc/10/07/01/607100701.db2.gz LCGCCXVVBNEGEX-UHFFFAOYSA-N -1 3 366.356 3.436 20 0 FGADHM Cc1cc(Cl)ncc1NC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000822201954 607102007 /nfs/dbraw/zinc/10/20/07/607102007.db2.gz DILTWNQGQDRWJW-UHFFFAOYSA-N -1 3 374.857 3.095 20 0 FGADHM Cc1cc(Cl)ncc1NC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000822201954 607102009 /nfs/dbraw/zinc/10/20/09/607102009.db2.gz DILTWNQGQDRWJW-UHFFFAOYSA-N -1 3 374.857 3.095 20 0 FGADHM Cc1cc(C)n(-c2ccc([C@@H](C)Nc3ncccc3-c3nnn[n-]3)cc2)n1 ZINC000822197789 607110106 /nfs/dbraw/zinc/11/01/06/607110106.db2.gz PIJACYVGGVWRNF-CQSZACIVSA-N -1 3 360.425 3.237 20 0 FGADHM Cc1cc(C)n(-c2ccc([C@@H](C)Nc3ncccc3-c3nn[n-]n3)cc2)n1 ZINC000822197789 607110107 /nfs/dbraw/zinc/11/01/07/607110107.db2.gz PIJACYVGGVWRNF-CQSZACIVSA-N -1 3 360.425 3.237 20 0 FGADHM C[C@H](OC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1)c1ccccc1F ZINC000820480951 607118306 /nfs/dbraw/zinc/11/83/06/607118306.db2.gz RBVVOLDNOJKTKK-LBPRGKRZSA-N -1 3 370.384 3.468 20 0 FGADHM C[C@H](OC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1)c1ccccc1F ZINC000820480951 607118308 /nfs/dbraw/zinc/11/83/08/607118308.db2.gz RBVVOLDNOJKTKK-LBPRGKRZSA-N -1 3 370.384 3.468 20 0 FGADHM C[C@@H]1CN(Cc2cc(-c3nnn[n-]3)ccc2F)C[C@@H](c2ccsc2)O1 ZINC000820759565 607122424 /nfs/dbraw/zinc/12/24/24/607122424.db2.gz LSTQRMWDQBXWMW-BZNIZROVSA-N -1 3 359.430 3.029 20 0 FGADHM C[C@@H]1CN(Cc2cc(-c3nn[n-]n3)ccc2F)C[C@@H](c2ccsc2)O1 ZINC000820759565 607122425 /nfs/dbraw/zinc/12/24/25/607122425.db2.gz LSTQRMWDQBXWMW-BZNIZROVSA-N -1 3 359.430 3.029 20 0 FGADHM CO[C@H](C)c1nc(CNc2ccc(-c3nn[n-]n3)cc2Cl)cs1 ZINC000821674973 607125919 /nfs/dbraw/zinc/12/59/19/607125919.db2.gz AKKQMFIZMQRLAK-MRVPVSSYSA-N -1 3 350.835 3.296 20 0 FGADHM Cc1cccc([C@@H](O)CNc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)c1 ZINC000822288810 607127830 /nfs/dbraw/zinc/12/78/30/607127830.db2.gz KAQYFDMWCSWDIB-HNNXBMFYSA-N -1 3 363.343 3.339 20 0 FGADHM Fc1cc(-c2nnn[n-]2)ccc1Oc1ncnc2sc3c(c21)CCC3 ZINC000822748128 607128941 /nfs/dbraw/zinc/12/89/41/607128941.db2.gz JFAYPTXPTFEFSY-UHFFFAOYSA-N -1 3 354.370 3.292 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1Oc1ncnc2sc3c(c21)CCC3 ZINC000822748128 607128943 /nfs/dbraw/zinc/12/89/43/607128943.db2.gz JFAYPTXPTFEFSY-UHFFFAOYSA-N -1 3 354.370 3.292 20 0 FGADHM c1c2c(nc(N[C@H]3CCOC4(CCCCC4)C3)c1-c1nnn[n-]1)CCC2 ZINC000823738652 607132009 /nfs/dbraw/zinc/13/20/09/607132009.db2.gz XRHHZYGHHZVQND-AWEZNQCLSA-N -1 3 354.458 3.044 20 0 FGADHM c1c2c(nc(N[C@H]3CCOC4(CCCCC4)C3)c1-c1nn[n-]n1)CCC2 ZINC000823738652 607132012 /nfs/dbraw/zinc/13/20/12/607132012.db2.gz XRHHZYGHHZVQND-AWEZNQCLSA-N -1 3 354.458 3.044 20 0 FGADHM CCCn1nc(C)c(C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1C ZINC000821147832 607132037 /nfs/dbraw/zinc/13/20/37/607132037.db2.gz JVDQAAKYKZORBB-CYBMUJFWSA-N -1 3 354.414 3.008 20 0 FGADHM CCCn1nc(C)c(C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000821147832 607132039 /nfs/dbraw/zinc/13/20/39/607132039.db2.gz JVDQAAKYKZORBB-CYBMUJFWSA-N -1 3 354.414 3.008 20 0 FGADHM CSc1ccccc1NC(=O)[C@@H](C)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000821984354 607136486 /nfs/dbraw/zinc/13/64/86/607136486.db2.gz NUXNIHOGMWJAJT-SNVBAGLBSA-N -1 3 373.413 3.134 20 0 FGADHM CSc1ccccc1NC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000821984354 607136488 /nfs/dbraw/zinc/13/64/88/607136488.db2.gz NUXNIHOGMWJAJT-SNVBAGLBSA-N -1 3 373.413 3.134 20 0 FGADHM Fc1cc(-c2nnn[n-]2)ccc1OCc1nnc(-c2cccc(Cl)c2)o1 ZINC000822748100 607140295 /nfs/dbraw/zinc/14/02/95/607140295.db2.gz HWBJEONPUIRWRE-UHFFFAOYSA-N -1 3 372.747 3.288 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1OCc1nnc(-c2cccc(Cl)c2)o1 ZINC000822748100 607140296 /nfs/dbraw/zinc/14/02/96/607140296.db2.gz HWBJEONPUIRWRE-UHFFFAOYSA-N -1 3 372.747 3.288 20 0 FGADHM Cc1cccc(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)c1F ZINC000822284575 607154351 /nfs/dbraw/zinc/15/43/51/607154351.db2.gz VOGKCOZPDFGPRD-UHFFFAOYSA-N -1 3 353.401 3.365 20 0 FGADHM Cc1cccc(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)c1F ZINC000822284575 607154353 /nfs/dbraw/zinc/15/43/53/607154353.db2.gz VOGKCOZPDFGPRD-UHFFFAOYSA-N -1 3 353.401 3.365 20 0 FGADHM Cc1cc(-c2noc(CSc3cc(-c4nnn[n-]4)ccn3)n2)ccc1F ZINC000822154771 607161482 /nfs/dbraw/zinc/16/14/82/607161482.db2.gz YZODZTKOZOFJEA-UHFFFAOYSA-N -1 3 369.385 3.052 20 0 FGADHM Cc1cc(-c2noc(CSc3cc(-c4nn[n-]n4)ccn3)n2)ccc1F ZINC000822154771 607161484 /nfs/dbraw/zinc/16/14/84/607161484.db2.gz YZODZTKOZOFJEA-UHFFFAOYSA-N -1 3 369.385 3.052 20 0 FGADHM CCCCC[C@H]1CCCN1C(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000821050738 607165317 /nfs/dbraw/zinc/16/53/17/607165317.db2.gz TXMKHJVUDZWTEC-HOCLYGCPSA-N -1 3 357.458 3.205 20 0 FGADHM Cc1ccc2c(COc3ccc(-c4nnn[n-]4)cc3F)cc(=O)oc2c1C ZINC000822275200 607170641 /nfs/dbraw/zinc/17/06/41/607170641.db2.gz PMJNIILBBLFMDH-UHFFFAOYSA-N -1 3 366.352 3.308 20 0 FGADHM Cc1ccc2c(COc3ccc(-c4nn[n-]n4)cc3F)cc(=O)oc2c1C ZINC000822275200 607170642 /nfs/dbraw/zinc/17/06/42/607170642.db2.gz PMJNIILBBLFMDH-UHFFFAOYSA-N -1 3 366.352 3.308 20 0 FGADHM O=C(Cc1c(F)cccc1Cl)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823074926 607190443 /nfs/dbraw/zinc/19/04/43/607190443.db2.gz ZJHJWRSXYUEFFL-UHFFFAOYSA-N -1 3 366.183 3.494 20 0 FGADHM O=C(Cc1c(F)cccc1Cl)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823074926 607190444 /nfs/dbraw/zinc/19/04/44/607190444.db2.gz ZJHJWRSXYUEFFL-UHFFFAOYSA-N -1 3 366.183 3.494 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1ccc(-c2cnco2)cc1 ZINC000823319817 607192080 /nfs/dbraw/zinc/19/20/80/607192080.db2.gz YVEQAVGSYPXSKE-UHFFFAOYSA-N -1 3 366.768 3.427 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1ccc(-c2cnco2)cc1 ZINC000823319817 607192081 /nfs/dbraw/zinc/19/20/81/607192081.db2.gz YVEQAVGSYPXSKE-UHFFFAOYSA-N -1 3 366.768 3.427 20 0 FGADHM CS[C@H]1CCC[C@@H](NC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC000821950515 607194970 /nfs/dbraw/zinc/19/49/70/607194970.db2.gz OJZPGDVNNYYWFF-MNOVXSKESA-N -1 3 366.878 3.316 20 0 FGADHM CS[C@H]1CCC[C@@H](NC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC000821950515 607194971 /nfs/dbraw/zinc/19/49/71/607194971.db2.gz OJZPGDVNNYYWFF-MNOVXSKESA-N -1 3 366.878 3.316 20 0 FGADHM C[C@H](Cc1cccs1)NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820300337 607200522 /nfs/dbraw/zinc/20/05/22/607200522.db2.gz PVWXXRNSVPTRIW-SECBINFHSA-N -1 3 362.846 3.334 20 0 FGADHM C[C@H](Cc1cccs1)NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820300337 607200523 /nfs/dbraw/zinc/20/05/23/607200523.db2.gz PVWXXRNSVPTRIW-SECBINFHSA-N -1 3 362.846 3.334 20 0 FGADHM CC(C)N(Cc1ccccn1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820121969 607200648 /nfs/dbraw/zinc/20/06/48/607200648.db2.gz WPUCGSHDRWFEOF-UHFFFAOYSA-N -1 3 371.832 3.358 20 0 FGADHM CC(C)N(Cc1ccccn1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820121969 607200649 /nfs/dbraw/zinc/20/06/49/607200649.db2.gz WPUCGSHDRWFEOF-UHFFFAOYSA-N -1 3 371.832 3.358 20 0 FGADHM CSCC[C@H](C)N(C)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821961194 607200894 /nfs/dbraw/zinc/20/08/94/607200894.db2.gz HLNHFSARUNIKEU-VIFPVBQESA-N -1 3 354.867 3.125 20 0 FGADHM CSCC[C@H](C)N(C)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821961194 607200895 /nfs/dbraw/zinc/20/08/95/607200895.db2.gz HLNHFSARUNIKEU-VIFPVBQESA-N -1 3 354.867 3.125 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N1CCC[C@H]1c1ccncc1 ZINC000823313773 607203923 /nfs/dbraw/zinc/20/39/23/607203923.db2.gz IRNUGGLERWGSPJ-HNNXBMFYSA-N -1 3 369.816 3.284 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N1CCC[C@H]1c1ccncc1 ZINC000823313773 607203924 /nfs/dbraw/zinc/20/39/24/607203924.db2.gz IRNUGGLERWGSPJ-HNNXBMFYSA-N -1 3 369.816 3.284 20 0 FGADHM C[C@@H](NC(=O)c1ncc(-c2nnn[n-]2)cc1Cl)c1cccc(Cl)c1 ZINC000820404299 607231273 /nfs/dbraw/zinc/23/12/73/607231273.db2.gz RSOGAURXVOUYSC-MRVPVSSYSA-N -1 3 363.208 3.060 20 0 FGADHM C[C@@H](NC(=O)c1ncc(-c2nn[n-]n2)cc1Cl)c1cccc(Cl)c1 ZINC000820404299 607231274 /nfs/dbraw/zinc/23/12/74/607231274.db2.gz RSOGAURXVOUYSC-MRVPVSSYSA-N -1 3 363.208 3.060 20 0 FGADHM C[C@@H](CCc1ccccc1F)C(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000820253155 607245989 /nfs/dbraw/zinc/24/59/89/607245989.db2.gz GIEBCDZKZGKQRO-NSHDSACASA-N -1 3 358.348 3.319 20 0 FGADHM C[C@@H](CCc1ccccc1F)C(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000820253155 607245990 /nfs/dbraw/zinc/24/59/90/607245990.db2.gz GIEBCDZKZGKQRO-NSHDSACASA-N -1 3 358.348 3.319 20 0 FGADHM Cc1cc(C(=O)Oc2ccc(-c3nnn[n-]3)cc2F)c(Cl)cc1F ZINC000822183644 607247235 /nfs/dbraw/zinc/24/72/35/607247235.db2.gz JDJZNJWGLMOPQG-UHFFFAOYSA-N -1 3 350.712 3.326 20 0 FGADHM Cc1cc(C(=O)Oc2ccc(-c3nn[n-]n3)cc2F)c(Cl)cc1F ZINC000822183644 607247236 /nfs/dbraw/zinc/24/72/36/607247236.db2.gz JDJZNJWGLMOPQG-UHFFFAOYSA-N -1 3 350.712 3.326 20 0 FGADHM CC[C@@H](CSc1ccccc1)NC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000825127602 607774396 /nfs/dbraw/zinc/77/43/96/607774396.db2.gz OCTLPJSURXLNRL-HNNXBMFYSA-N -1 3 367.478 3.476 20 0 FGADHM CC[C@@H](CSc1ccccc1)NC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000825127602 607774397 /nfs/dbraw/zinc/77/43/97/607774397.db2.gz OCTLPJSURXLNRL-HNNXBMFYSA-N -1 3 367.478 3.476 20 0 FGADHM CN(C(=O)CCCOc1ccc(Cl)cc1)c1ccccc1-c1nnn[n-]1 ZINC000825817142 607787268 /nfs/dbraw/zinc/78/72/68/607787268.db2.gz CGJALJWXOATNNU-UHFFFAOYSA-N -1 3 371.828 3.342 20 0 FGADHM CN(C(=O)CCCOc1ccc(Cl)cc1)c1ccccc1-c1nn[n-]n1 ZINC000825817142 607787269 /nfs/dbraw/zinc/78/72/69/607787269.db2.gz CGJALJWXOATNNU-UHFFFAOYSA-N -1 3 371.828 3.342 20 0 FGADHM CCN(C(=O)[C@H]1SCCc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367286 607798036 /nfs/dbraw/zinc/79/80/36/607798036.db2.gz MQPCSNHCDYJXOJ-KRWDZBQOSA-N -1 3 365.462 3.250 20 0 FGADHM CCN(C(=O)[C@H]1SCCc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367286 607798037 /nfs/dbraw/zinc/79/80/37/607798037.db2.gz MQPCSNHCDYJXOJ-KRWDZBQOSA-N -1 3 365.462 3.250 20 0 FGADHM CCN(C(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367071 607798881 /nfs/dbraw/zinc/79/88/81/607798881.db2.gz IVCMEIXOQMWEGS-CABCVRRESA-N -1 3 369.375 3.302 20 0 FGADHM CCN(C(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367071 607798882 /nfs/dbraw/zinc/79/88/82/607798882.db2.gz IVCMEIXOQMWEGS-CABCVRRESA-N -1 3 369.375 3.302 20 0 FGADHM CCN(C(=O)CCCOc1ccccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000825371956 607799337 /nfs/dbraw/zinc/79/93/37/607799337.db2.gz OMFPRMKNLOPNNL-UHFFFAOYSA-N -1 3 369.400 3.218 20 0 FGADHM CCN(C(=O)CCCOc1ccccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000825371956 607799338 /nfs/dbraw/zinc/79/93/38/607799338.db2.gz OMFPRMKNLOPNNL-UHFFFAOYSA-N -1 3 369.400 3.218 20 0 FGADHM C[C@H](Cc1ccccc1Cl)C(=O)N(C)c1cccc(-c2nnn[n-]2)c1 ZINC000824456901 607816904 /nfs/dbraw/zinc/81/69/04/607816904.db2.gz AHTXMOVAHWKABM-GFCCVEGCSA-N -1 3 355.829 3.362 20 0 FGADHM C[C@H](Cc1ccccc1Cl)C(=O)N(C)c1cccc(-c2nn[n-]n2)c1 ZINC000824456901 607816905 /nfs/dbraw/zinc/81/69/05/607816905.db2.gz AHTXMOVAHWKABM-GFCCVEGCSA-N -1 3 355.829 3.362 20 0 FGADHM CCN(C(=O)C[C@H](C)c1c(C)noc1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825366828 607829909 /nfs/dbraw/zinc/82/99/09/607829909.db2.gz GNCRDPIXIGKYMK-NSHDSACASA-N -1 3 354.414 3.018 20 0 FGADHM CCN(C(=O)C[C@H](C)c1c(C)noc1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825366828 607829910 /nfs/dbraw/zinc/82/99/10/607829910.db2.gz GNCRDPIXIGKYMK-NSHDSACASA-N -1 3 354.414 3.018 20 0 FGADHM O[C@@H](CSc1ccc(-c2nnn[n-]2)cc1Cl)c1ccc(F)cc1 ZINC000826505072 607843333 /nfs/dbraw/zinc/84/33/33/607843333.db2.gz LFLQJTIFPQLGEK-ZDUSSCGKSA-N -1 3 350.806 3.485 20 0 FGADHM O[C@@H](CSc1ccc(-c2nn[n-]n2)cc1Cl)c1ccc(F)cc1 ZINC000826505072 607843334 /nfs/dbraw/zinc/84/33/34/607843334.db2.gz LFLQJTIFPQLGEK-ZDUSSCGKSA-N -1 3 350.806 3.485 20 0 FGADHM CC[C@H]1CCCCN1C(=O)CSc1ccc(-c2nnn[n-]2)cc1Cl ZINC000825194741 607844486 /nfs/dbraw/zinc/84/44/86/607844486.db2.gz SLSNMDKYEPHGLH-LBPRGKRZSA-N -1 3 365.890 3.403 20 0 FGADHM CC[C@H]1CCCCN1C(=O)CSc1ccc(-c2nn[n-]n2)cc1Cl ZINC000825194741 607844487 /nfs/dbraw/zinc/84/44/87/607844487.db2.gz SLSNMDKYEPHGLH-LBPRGKRZSA-N -1 3 365.890 3.403 20 0 FGADHM CCC(C)(C)NC(=O)[C@@H](C)Sc1ccc(-c2nnn[n-]2)cc1Cl ZINC000825043339 607844495 /nfs/dbraw/zinc/84/44/95/607844495.db2.gz FRKJJWMTZURCPM-SECBINFHSA-N -1 3 353.879 3.306 20 0 FGADHM CCC(C)(C)NC(=O)[C@@H](C)Sc1ccc(-c2nn[n-]n2)cc1Cl ZINC000825043339 607844496 /nfs/dbraw/zinc/84/44/96/607844496.db2.gz FRKJJWMTZURCPM-SECBINFHSA-N -1 3 353.879 3.306 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC[C@@H](O)c1ccccc1C ZINC000825609478 607872322 /nfs/dbraw/zinc/87/23/22/607872322.db2.gz NGDUEJDDTPZDGO-OAHLLOKOSA-N -1 3 374.828 3.340 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC[C@@H](O)c1ccccc1C ZINC000825609478 607872323 /nfs/dbraw/zinc/87/23/23/607872323.db2.gz NGDUEJDDTPZDGO-OAHLLOKOSA-N -1 3 374.828 3.340 20 0 FGADHM CCN(C(=O)Cc1ccccc1C)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825375968 607878697 /nfs/dbraw/zinc/87/86/97/607878697.db2.gz BDIQIHHFOBUVQJ-UHFFFAOYSA-N -1 3 355.829 3.424 20 0 FGADHM CCN(C(=O)Cc1ccccc1C)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825375968 607878698 /nfs/dbraw/zinc/87/86/98/607878698.db2.gz BDIQIHHFOBUVQJ-UHFFFAOYSA-N -1 3 355.829 3.424 20 0 FGADHM CCN(C(=O)c1cc(F)cc(F)c1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825379532 607879097 /nfs/dbraw/zinc/87/90/97/607879097.db2.gz HOYNLHIYBIFSQC-UHFFFAOYSA-N -1 3 363.755 3.465 20 0 FGADHM CCN(C(=O)c1cc(F)cc(F)c1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825379532 607879098 /nfs/dbraw/zinc/87/90/98/607879098.db2.gz HOYNLHIYBIFSQC-UHFFFAOYSA-N -1 3 363.755 3.465 20 0 FGADHM O=C1OC(c2ccc(-c3nnn[n-]3)cc2)=NC1=Cc1ccc(F)c(Cl)c1 ZINC000826483092 607880023 /nfs/dbraw/zinc/88/00/23/607880023.db2.gz AOMMDHCRMJKOTA-RIYZIHGNSA-N -1 3 369.743 3.004 20 0 FGADHM O=C1OC(c2ccc(-c3nn[n-]n3)cc2)=NC1=Cc1ccc(F)c(Cl)c1 ZINC000826483092 607880024 /nfs/dbraw/zinc/88/00/24/607880024.db2.gz AOMMDHCRMJKOTA-RIYZIHGNSA-N -1 3 369.743 3.004 20 0 FGADHM Cc1noc(C)c1CCSCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000826338687 607880754 /nfs/dbraw/zinc/88/07/54/607880754.db2.gz DRFMJUHCNDOJIX-UHFFFAOYSA-N -1 3 359.455 3.216 20 0 FGADHM Cc1noc(C)c1CCSCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000826338687 607880755 /nfs/dbraw/zinc/88/07/55/607880755.db2.gz DRFMJUHCNDOJIX-UHFFFAOYSA-N -1 3 359.455 3.216 20 0 FGADHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H]1CCCC(C)(C)C1 ZINC000826158640 607881847 /nfs/dbraw/zinc/88/18/47/607881847.db2.gz WZKXFMLLTKFDHV-QGZVFWFLSA-N -1 3 371.485 3.058 20 0 FGADHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@H]1CCCC(C)(C)C1 ZINC000826158640 607881848 /nfs/dbraw/zinc/88/18/48/607881848.db2.gz WZKXFMLLTKFDHV-QGZVFWFLSA-N -1 3 371.485 3.058 20 0 FGADHM Brc1ccc(-c2cnc(Cn3ccc(-c4nnn[n-]4)c3)o2)cc1 ZINC000823826893 607890668 /nfs/dbraw/zinc/89/06/68/607890668.db2.gz QPPAFODIWBGQHT-UHFFFAOYSA-N -1 3 371.198 3.134 20 0 FGADHM Brc1ccc(-c2cnc(Cn3ccc(-c4nn[n-]n4)c3)o2)cc1 ZINC000823826893 607890669 /nfs/dbraw/zinc/89/06/69/607890669.db2.gz QPPAFODIWBGQHT-UHFFFAOYSA-N -1 3 371.198 3.134 20 0 FGADHM Brc1ccccc1-c1cnc(Cn2ccc(-c3nnn[n-]3)c2)o1 ZINC000823831844 607890825 /nfs/dbraw/zinc/89/08/25/607890825.db2.gz FLPCELHLBHRZFE-UHFFFAOYSA-N -1 3 371.198 3.134 20 0 FGADHM Brc1ccccc1-c1cnc(Cn2ccc(-c3nn[n-]n3)c2)o1 ZINC000823831844 607890826 /nfs/dbraw/zinc/89/08/26/607890826.db2.gz FLPCELHLBHRZFE-UHFFFAOYSA-N -1 3 371.198 3.134 20 0 FGADHM C[C@H](Nc1c(F)cc(-c2nnn[n-]2)cc1F)c1ccc([S@](C)=O)cc1 ZINC000824651198 607902565 /nfs/dbraw/zinc/90/25/65/607902565.db2.gz XMJQBIYJKVORAE-USOBGDSLSA-N -1 3 363.393 3.055 20 0 FGADHM C[C@H](Nc1c(F)cc(-c2nn[n-]n2)cc1F)c1ccc([S@](C)=O)cc1 ZINC000824651198 607902566 /nfs/dbraw/zinc/90/25/66/607902566.db2.gz XMJQBIYJKVORAE-USOBGDSLSA-N -1 3 363.393 3.055 20 0 FGADHM CC(=O)N1CC[C@H](Nc2c(F)cc(-c3nnn[n-]3)cc2F)c2ccccc21 ZINC000823973992 607937247 /nfs/dbraw/zinc/93/72/47/607937247.db2.gz NOXNOMVMFGZCNH-HNNXBMFYSA-N -1 3 370.363 3.055 20 0 FGADHM CC(=O)N1CC[C@H](Nc2c(F)cc(-c3nn[n-]n3)cc2F)c2ccccc21 ZINC000823973992 607937248 /nfs/dbraw/zinc/93/72/48/607937248.db2.gz NOXNOMVMFGZCNH-HNNXBMFYSA-N -1 3 370.363 3.055 20 0 FGADHM CC(C)[C@H](C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21)c1ccc(F)cc1 ZINC000824185033 607945986 /nfs/dbraw/zinc/94/59/86/607945986.db2.gz PVIVGPDFABSRJI-SFHVURJKSA-N -1 3 365.412 3.335 20 0 FGADHM CC(C)[C@H](C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21)c1ccc(F)cc1 ZINC000824185033 607945987 /nfs/dbraw/zinc/94/59/87/607945987.db2.gz PVIVGPDFABSRJI-SFHVURJKSA-N -1 3 365.412 3.335 20 0 FGADHM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000825152879 607948737 /nfs/dbraw/zinc/94/87/37/607948737.db2.gz DXCPAGVUSZBMEV-QBIMZIAESA-N -1 3 369.469 3.130 20 0 FGADHM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000825152879 607948738 /nfs/dbraw/zinc/94/87/38/607948738.db2.gz DXCPAGVUSZBMEV-QBIMZIAESA-N -1 3 369.469 3.130 20 0 FGADHM Cc1ccc([C@@H]2C[C@@H](OC(=O)c3ccc(-c4nnn[n-]4)cc3)CCO2)cc1 ZINC000826285117 607950789 /nfs/dbraw/zinc/95/07/89/607950789.db2.gz PQSKLQNSAIDOCY-ROUUACIJSA-N -1 3 364.405 3.252 20 0 FGADHM Cc1ccc([C@@H]2C[C@@H](OC(=O)c3ccc(-c4nn[n-]n4)cc3)CCO2)cc1 ZINC000826285117 607950790 /nfs/dbraw/zinc/95/07/90/607950790.db2.gz PQSKLQNSAIDOCY-ROUUACIJSA-N -1 3 364.405 3.252 20 0 FGADHM CC(C)COc1cccc(C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)c1 ZINC000824272098 607951374 /nfs/dbraw/zinc/95/13/74/607951374.db2.gz UECNWDSWNQAKCC-UHFFFAOYSA-N -1 3 363.421 3.104 20 0 FGADHM CC(C)COc1cccc(C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)c1 ZINC000824272098 607951375 /nfs/dbraw/zinc/95/13/75/607951375.db2.gz UECNWDSWNQAKCC-UHFFFAOYSA-N -1 3 363.421 3.104 20 0 FGADHM O=C(c1cccc(C(F)(F)F)c1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826474039 607953003 /nfs/dbraw/zinc/95/30/03/607953003.db2.gz YIPZGXAGIIDQJD-UHFFFAOYSA-N -1 3 359.311 3.088 20 0 FGADHM O=C(c1cccc(C(F)(F)F)c1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826474039 607953004 /nfs/dbraw/zinc/95/30/04/607953004.db2.gz YIPZGXAGIIDQJD-UHFFFAOYSA-N -1 3 359.311 3.088 20 0 FGADHM Cc1cccc(C(=O)Nc2sccc2-c2nnn[n-]2)c1Br ZINC000826296140 607962780 /nfs/dbraw/zinc/96/27/80/607962780.db2.gz KPGRLGPOXBTHGG-UHFFFAOYSA-N -1 3 364.228 3.251 20 0 FGADHM Cc1cccc(C(=O)Nc2sccc2-c2nn[n-]n2)c1Br ZINC000826296140 607962781 /nfs/dbraw/zinc/96/27/81/607962781.db2.gz KPGRLGPOXBTHGG-UHFFFAOYSA-N -1 3 364.228 3.251 20 0 FGADHM CC(=Cc1cccc(Cl)c1)C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000823942353 607969493 /nfs/dbraw/zinc/96/94/93/607969493.db2.gz BTQBJJYRYDELRB-XYOKQWHBSA-N -1 3 353.813 3.240 20 0 FGADHM CC(=Cc1cccc(Cl)c1)C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000823942353 607969494 /nfs/dbraw/zinc/96/94/94/607969494.db2.gz BTQBJJYRYDELRB-XYOKQWHBSA-N -1 3 353.813 3.240 20 0 FGADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1-c1cnn(-c2ccccc2)c1 ZINC000825782830 607975416 /nfs/dbraw/zinc/97/54/16/607975416.db2.gz RDQPZFSEBFKOAG-UHFFFAOYSA-N -1 3 356.393 3.089 20 0 FGADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1cnn(-c2ccccc2)c1 ZINC000825782830 607975417 /nfs/dbraw/zinc/97/54/17/607975417.db2.gz RDQPZFSEBFKOAG-UHFFFAOYSA-N -1 3 356.393 3.089 20 0 FGADHM Cc1oc2ccccc2c1C=C1N=C(c2ccc(-c3nnn[n-]3)cc2)OC1=O ZINC000826342617 607982224 /nfs/dbraw/zinc/98/22/24/607982224.db2.gz SKLWRPMTNHMGNG-MHWRWJLKSA-N -1 3 371.356 3.266 20 0 FGADHM Cc1oc2ccccc2c1C=C1N=C(c2ccc(-c3nn[n-]n3)cc2)OC1=O ZINC000826342617 607982225 /nfs/dbraw/zinc/98/22/25/607982225.db2.gz SKLWRPMTNHMGNG-MHWRWJLKSA-N -1 3 371.356 3.266 20 0 FGADHM O[C@@H](COc1ccc(-c2nnn[n-]2)c(F)c1)c1ccc(Cl)cc1Cl ZINC000826504582 607982523 /nfs/dbraw/zinc/98/25/23/607982523.db2.gz ZESJSLOALQHHQA-AWEZNQCLSA-N -1 3 369.183 3.425 20 0 FGADHM O[C@@H](COc1ccc(-c2nn[n-]n2)c(F)c1)c1ccc(Cl)cc1Cl ZINC000826504582 607982524 /nfs/dbraw/zinc/98/25/24/607982524.db2.gz ZESJSLOALQHHQA-AWEZNQCLSA-N -1 3 369.183 3.425 20 0 FGADHM COc1ccc(C[C@H](C)C(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826192022 607989927 /nfs/dbraw/zinc/98/99/27/607989927.db2.gz XGNLSHIDAIGJSZ-UONOGXRCSA-N -1 3 366.421 3.358 20 0 FGADHM COc1ccc(C[C@H](C)C(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826192022 607989928 /nfs/dbraw/zinc/98/99/28/607989928.db2.gz XGNLSHIDAIGJSZ-UONOGXRCSA-N -1 3 366.421 3.358 20 0 FGADHM COc1ccc(C[C@@H](C)C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826191462 607993190 /nfs/dbraw/zinc/99/31/90/607993190.db2.gz HNXBUZWILLZANM-KGLIPLIRSA-N -1 3 366.421 3.358 20 0 FGADHM COc1ccc(C[C@@H](C)C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826191462 607993191 /nfs/dbraw/zinc/99/31/91/607993191.db2.gz HNXBUZWILLZANM-KGLIPLIRSA-N -1 3 366.421 3.358 20 0 FGADHM C[C@H](OC(=O)C=Cc1ccc(Cl)nc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824712941 608006313 /nfs/dbraw/zinc/00/63/13/608006313.db2.gz FMOFZGWVRAIUBV-BWLWAFFFSA-N -1 3 355.785 3.233 20 0 FGADHM C[C@H](OC(=O)C=Cc1ccc(Cl)nc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824712941 608006314 /nfs/dbraw/zinc/00/63/14/608006314.db2.gz FMOFZGWVRAIUBV-BWLWAFFFSA-N -1 3 355.785 3.233 20 0 FGADHM Cc1c(NC(=O)N2CCc3c([nH]c4ccccc43)C2)cccc1-c1nnn[n-]1 ZINC000826241627 608007903 /nfs/dbraw/zinc/00/79/03/608007903.db2.gz JHRGPZGAIXBHHD-UHFFFAOYSA-N -1 3 373.420 3.247 20 0 FGADHM Cc1c(NC(=O)N2CCc3c([nH]c4ccccc43)C2)cccc1-c1nn[n-]n1 ZINC000826241627 608007904 /nfs/dbraw/zinc/00/79/04/608007904.db2.gz JHRGPZGAIXBHHD-UHFFFAOYSA-N -1 3 373.420 3.247 20 0 FGADHM c1ccc(COc2ccnc(Sc3ccc(-c4nnn[n-]4)cc3)n2)cc1 ZINC000826521901 608016039 /nfs/dbraw/zinc/01/60/39/608016039.db2.gz CQRPEFWCNYYTRC-UHFFFAOYSA-N -1 3 362.418 3.387 20 0 FGADHM c1ccc(COc2ccnc(Sc3ccc(-c4nn[n-]n4)cc3)n2)cc1 ZINC000826521901 608016040 /nfs/dbraw/zinc/01/60/40/608016040.db2.gz CQRPEFWCNYYTRC-UHFFFAOYSA-N -1 3 362.418 3.387 20 0 FGADHM O=C1[C@@H](Sc2ccc(-c3nnn[n-]3)cc2)CCCN1Cc1ccccc1 ZINC000826477433 608023347 /nfs/dbraw/zinc/02/33/47/608023347.db2.gz DAPASIACSCBHNY-KRWDZBQOSA-N -1 3 365.462 3.150 20 0 FGADHM O=C1[C@@H](Sc2ccc(-c3nn[n-]n3)cc2)CCCN1Cc1ccccc1 ZINC000826477433 608023348 /nfs/dbraw/zinc/02/33/48/608023348.db2.gz DAPASIACSCBHNY-KRWDZBQOSA-N -1 3 365.462 3.150 20 0 FGADHM Clc1ccc(CNc2ccc(-c3nn[n-]n3)cc2Br)o1 ZINC000826352410 608047466 /nfs/dbraw/zinc/04/74/66/608047466.db2.gz ZPPYFJQYFOHEJV-UHFFFAOYSA-N -1 3 354.595 3.488 20 0 FGADHM Cc1noc(C)c1[C@H](C)Nc1ccc(-c2nn[n-]n2)cc1Br ZINC000826339017 608050405 /nfs/dbraw/zinc/05/04/05/608050405.db2.gz ONVBEHXFUZWFLU-ZETCQYMHSA-N -1 3 363.219 3.407 20 0 FGADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)CCCc1cc(F)ccc1F ZINC000825958432 608054057 /nfs/dbraw/zinc/05/40/57/608054057.db2.gz WFDYMGJQVSDJTC-UHFFFAOYSA-N -1 3 371.391 3.126 20 0 FGADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)CCCc1cc(F)ccc1F ZINC000825958432 608054058 /nfs/dbraw/zinc/05/40/58/608054058.db2.gz WFDYMGJQVSDJTC-UHFFFAOYSA-N -1 3 371.391 3.126 20 0 FGADHM C[C@@H](c1c(F)cccc1F)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824763829 608068273 /nfs/dbraw/zinc/06/82/73/608068273.db2.gz PLRPXANFUPIWPJ-SJCJKPOMSA-N -1 3 371.391 3.279 20 0 FGADHM C[C@@H](c1c(F)cccc1F)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824763829 608068274 /nfs/dbraw/zinc/06/82/74/608068274.db2.gz PLRPXANFUPIWPJ-SJCJKPOMSA-N -1 3 371.391 3.279 20 0 FGADHM Cc1ccc(Br)c(NC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826281565 608072938 /nfs/dbraw/zinc/07/29/38/608072938.db2.gz ZQVASQZEQIFGIA-UHFFFAOYSA-N -1 3 358.199 3.190 20 0 FGADHM Cc1ccc(Br)c(NC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826281565 608072939 /nfs/dbraw/zinc/07/29/39/608072939.db2.gz ZQVASQZEQIFGIA-UHFFFAOYSA-N -1 3 358.199 3.190 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)NC1CCC(F)(F)CC1 ZINC000826452915 608073777 /nfs/dbraw/zinc/07/37/77/608073777.db2.gz ODALNACIYHKUSE-UHFFFAOYSA-N -1 3 356.764 3.220 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)NC1CCC(F)(F)CC1 ZINC000826452915 608073778 /nfs/dbraw/zinc/07/37/78/608073778.db2.gz ODALNACIYHKUSE-UHFFFAOYSA-N -1 3 356.764 3.220 20 0 FGADHM OCCCCCNc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000826509930 608095225 /nfs/dbraw/zinc/09/52/25/608095225.db2.gz QLJNDKHTUFBGIT-UHFFFAOYSA-N -1 3 371.416 3.159 20 0 FGADHM OCCCCCNc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000826509930 608095226 /nfs/dbraw/zinc/09/52/26/608095226.db2.gz QLJNDKHTUFBGIT-UHFFFAOYSA-N -1 3 371.416 3.159 20 0 FGADHM CN(Cc1ccc(Cl)c(F)c1)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000825966178 608099559 /nfs/dbraw/zinc/09/95/59/608099559.db2.gz RQHVINZBNKBWRV-UHFFFAOYSA-N -1 3 353.188 3.344 20 0 FGADHM CN(Cc1ccc(Cl)c(F)c1)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000825966178 608099560 /nfs/dbraw/zinc/09/95/60/608099560.db2.gz RQHVINZBNKBWRV-UHFFFAOYSA-N -1 3 353.188 3.344 20 0 FGADHM O[C@@H](CNc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccc(Cl)c(F)c1 ZINC000826502670 608099785 /nfs/dbraw/zinc/09/97/85/608099785.db2.gz IIGSTXQXYSHWMP-AWEZNQCLSA-N -1 3 368.199 3.458 20 0 FGADHM O[C@@H](CNc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc(Cl)c(F)c1 ZINC000826502670 608099786 /nfs/dbraw/zinc/09/97/86/608099786.db2.gz IIGSTXQXYSHWMP-AWEZNQCLSA-N -1 3 368.199 3.458 20 0 FGADHM O[C@H](CNc1c(F)cc(-c2nnn[n-]2)cc1F)c1ccc(Cl)c(F)c1 ZINC000826503466 608099847 /nfs/dbraw/zinc/09/98/47/608099847.db2.gz YMYSIWKKASLCFE-CYBMUJFWSA-N -1 3 369.734 3.083 20 0 FGADHM O[C@H](CNc1c(F)cc(-c2nn[n-]n2)cc1F)c1ccc(Cl)c(F)c1 ZINC000826503466 608099848 /nfs/dbraw/zinc/09/98/48/608099848.db2.gz YMYSIWKKASLCFE-CYBMUJFWSA-N -1 3 369.734 3.083 20 0 FGADHM O=C(Nc1ccc(C(F)(F)C(F)(F)F)cc1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826453582 608123944 /nfs/dbraw/zinc/12/39/44/608123944.db2.gz QDAWWOQWIIYEDE-UHFFFAOYSA-N -1 3 372.257 3.101 20 0 FGADHM O=C(Nc1ccc(C(F)(F)C(F)(F)F)cc1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826453582 608123945 /nfs/dbraw/zinc/12/39/45/608123945.db2.gz QDAWWOQWIIYEDE-UHFFFAOYSA-N -1 3 372.257 3.101 20 0 FGADHM O=C(O[C@H]1CCOc2c(Cl)cccc21)c1cc(-c2nnn[n-]2)cs1 ZINC000826462630 608128660 /nfs/dbraw/zinc/12/86/60/608128660.db2.gz CULBACQPHYPNGR-NSHDSACASA-N -1 3 362.798 3.262 20 0 FGADHM O=C(O[C@H]1CCOc2c(Cl)cccc21)c1cc(-c2nn[n-]n2)cs1 ZINC000826462630 608128661 /nfs/dbraw/zinc/12/86/61/608128661.db2.gz CULBACQPHYPNGR-NSHDSACASA-N -1 3 362.798 3.262 20 0 FGADHM Cc1ccc([C@H]2CCN(C(=O)c3c(F)cc(-c4nnn[n-]4)cc3F)C2)cc1 ZINC000826285957 608129927 /nfs/dbraw/zinc/12/99/27/608129927.db2.gz OURKDSHQHAXLKH-ZDUSSCGKSA-N -1 3 369.375 3.083 20 0 FGADHM Cc1ccc([C@H]2CCN(C(=O)c3c(F)cc(-c4nn[n-]n4)cc3F)C2)cc1 ZINC000826285957 608129928 /nfs/dbraw/zinc/12/99/28/608129928.db2.gz OURKDSHQHAXLKH-ZDUSSCGKSA-N -1 3 369.375 3.083 20 0 FGADHM Cc1cc(C)cc([C@@H]2CCN(C(=O)Cc3ccc(-c4nnn[n-]4)cc3)C2)c1 ZINC000826264737 608130562 /nfs/dbraw/zinc/13/05/62/608130562.db2.gz YMSPYFMYKZTIPE-GOSISDBHSA-N -1 3 361.449 3.042 20 0 FGADHM Cc1cc(C)cc([C@@H]2CCN(C(=O)Cc3ccc(-c4nn[n-]n4)cc3)C2)c1 ZINC000826264737 608130563 /nfs/dbraw/zinc/13/05/63/608130563.db2.gz YMSPYFMYKZTIPE-GOSISDBHSA-N -1 3 361.449 3.042 20 0 FGADHM CC(C)(C)[C@H]1C[C@H](Nc2cc(-c3nnn[n-]3)c3ccccc3n2)CCO1 ZINC000824079266 608149648 /nfs/dbraw/zinc/14/96/48/608149648.db2.gz NYMVRIAGSIAEOD-MLGOLLRUSA-N -1 3 352.442 3.421 20 0 FGADHM CC(C)(C)[C@H]1C[C@H](Nc2cc(-c3nn[n-]n3)c3ccccc3n2)CCO1 ZINC000824079266 608149650 /nfs/dbraw/zinc/14/96/50/608149650.db2.gz NYMVRIAGSIAEOD-MLGOLLRUSA-N -1 3 352.442 3.421 20 0 FGADHM C[C@@H]1CCC[C@H](CSCC(=O)NCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000824930011 608155468 /nfs/dbraw/zinc/15/54/68/608155468.db2.gz ZGYGASSUPQTOFQ-HIFRSBDPSA-N -1 3 359.499 3.042 20 0 FGADHM C[C@@H]1CCC[C@H](CSCC(=O)NCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000824930011 608155469 /nfs/dbraw/zinc/15/54/69/608155469.db2.gz ZGYGASSUPQTOFQ-HIFRSBDPSA-N -1 3 359.499 3.042 20 0 FGADHM CC(C)c1cc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)no1 ZINC000824342649 608157145 /nfs/dbraw/zinc/15/71/45/608157145.db2.gz RQBWFNJDSKYEFW-UHFFFAOYSA-N -1 3 366.303 3.249 20 0 FGADHM CC(C)c1cc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)no1 ZINC000824342649 608157146 /nfs/dbraw/zinc/15/71/46/608157146.db2.gz RQBWFNJDSKYEFW-UHFFFAOYSA-N -1 3 366.303 3.249 20 0 FGADHM C[C@H](NC(=O)N1CC[C@@H](C)C2(CCC2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000824487354 608162799 /nfs/dbraw/zinc/16/27/99/608162799.db2.gz ARHMJPIUZITBNZ-KGLIPLIRSA-N -1 3 354.458 3.149 20 0 FGADHM C[C@H](NC(=O)N1CC[C@@H](C)C2(CCC2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000824487354 608162801 /nfs/dbraw/zinc/16/28/01/608162801.db2.gz ARHMJPIUZITBNZ-KGLIPLIRSA-N -1 3 354.458 3.149 20 0 FGADHM Cc1ccc(F)c([C@H](C)OC(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826289271 608165275 /nfs/dbraw/zinc/16/52/75/608165275.db2.gz SYJATVGOVQHVJU-STQMWFEESA-N -1 3 370.384 3.386 20 0 FGADHM C[C@@H](OC(=O)[C@@H]1CCOc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000824716251 608183361 /nfs/dbraw/zinc/18/33/61/608183361.db2.gz XAYLXBCPGAAEMN-MLGOLLRUSA-N -1 3 350.378 3.037 20 0 FGADHM C[C@@H](OC(=O)[C@@H]1CCOc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000824716251 608183362 /nfs/dbraw/zinc/18/33/62/608183362.db2.gz XAYLXBCPGAAEMN-MLGOLLRUSA-N -1 3 350.378 3.037 20 0 FGADHM Clc1cc(N2CCC(Cc3cccnc3)CC2)ccc1-c1nnn[n-]1 ZINC000826350691 608194424 /nfs/dbraw/zinc/19/44/24/608194424.db2.gz HEBIGUDRDFAYLW-UHFFFAOYSA-N -1 3 354.845 3.374 20 0 FGADHM Clc1cc(N2CCC(Cc3cccnc3)CC2)ccc1-c1nn[n-]n1 ZINC000826350691 608194425 /nfs/dbraw/zinc/19/44/25/608194425.db2.gz HEBIGUDRDFAYLW-UHFFFAOYSA-N -1 3 354.845 3.374 20 0 FGADHM C[C@H]1CCN(C(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)CC12CCC2 ZINC000824947800 608199954 /nfs/dbraw/zinc/19/99/54/608199954.db2.gz RCFAVUDAWWRNAV-AWEZNQCLSA-N -1 3 369.469 3.063 20 0 FGADHM C[C@H]1CCN(C(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)CC12CCC2 ZINC000824947800 608199955 /nfs/dbraw/zinc/19/99/55/608199955.db2.gz RCFAVUDAWWRNAV-AWEZNQCLSA-N -1 3 369.469 3.063 20 0 FGADHM C[C@@H](NC(=O)C=Cc1ccc2[nH]ccc2c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824479421 608228172 /nfs/dbraw/zinc/22/81/72/608228172.db2.gz NEJQRMJVNZNKCN-ZCMXANCESA-N -1 3 358.405 3.239 20 0 FGADHM C[C@@H](NC(=O)C=Cc1ccc2[nH]ccc2c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824479421 608228174 /nfs/dbraw/zinc/22/81/74/608228174.db2.gz NEJQRMJVNZNKCN-ZCMXANCESA-N -1 3 358.405 3.239 20 0 FGADHM CC(C)[C@@H]1OCCC[C@H]1CNc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000824230065 608231155 /nfs/dbraw/zinc/23/11/55/608231155.db2.gz ZACCSEICBDBAAA-YJBOKZPZSA-N -1 3 352.442 3.278 20 0 FGADHM CC(C)[C@@H]1OCCC[C@H]1CNc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000824230065 608231157 /nfs/dbraw/zinc/23/11/57/608231157.db2.gz ZACCSEICBDBAAA-YJBOKZPZSA-N -1 3 352.442 3.278 20 0 FGADHM C[C@H](OC(=O)C(F)(F)c1ccccc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000824707124 608246235 /nfs/dbraw/zinc/24/62/35/608246235.db2.gz NVKNFBLRMIJUFU-JTQLQIEISA-N -1 3 362.311 3.402 20 0 FGADHM C[C@H](OC(=O)C(F)(F)c1ccccc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000824707124 608246236 /nfs/dbraw/zinc/24/62/36/608246236.db2.gz NVKNFBLRMIJUFU-JTQLQIEISA-N -1 3 362.311 3.402 20 0 FGADHM C[C@@H](OC(=O)C(F)(F)c1ccccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000824706983 608247668 /nfs/dbraw/zinc/24/76/68/608247668.db2.gz NBEPHZOGVUPNNI-SNVBAGLBSA-N -1 3 362.311 3.402 20 0 FGADHM C[C@@H](OC(=O)C(F)(F)c1ccccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000824706983 608247670 /nfs/dbraw/zinc/24/76/70/608247670.db2.gz NBEPHZOGVUPNNI-SNVBAGLBSA-N -1 3 362.311 3.402 20 0 FGADHM O=C(OCc1cc(-c2nnn[n-]2)ccc1F)[C@H](c1ccccc1)C1CC1 ZINC000826464490 608248899 /nfs/dbraw/zinc/24/88/99/608248899.db2.gz YPBQPHNAZPPQFE-QGZVFWFLSA-N -1 3 352.369 3.243 20 0 FGADHM O=C(OCc1cc(-c2nn[n-]n2)ccc1F)[C@H](c1ccccc1)C1CC1 ZINC000826464490 608248901 /nfs/dbraw/zinc/24/89/01/608248901.db2.gz YPBQPHNAZPPQFE-QGZVFWFLSA-N -1 3 352.369 3.243 20 0 FGADHM C[C@H](OC(=O)c1cn(C)nc1-c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824722965 608261106 /nfs/dbraw/zinc/26/11/06/608261106.db2.gz KYBIFVUPGYJXKA-ZDUSSCGKSA-N -1 3 374.404 3.185 20 0 FGADHM C[C@H](OC(=O)c1cn(C)nc1-c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824722965 608261107 /nfs/dbraw/zinc/26/11/07/608261107.db2.gz KYBIFVUPGYJXKA-ZDUSSCGKSA-N -1 3 374.404 3.185 20 0 FGADHM Cc1cc(C)n(-c2ccc(CCNc3nc(C)ccc3-c3nnn[n-]3)cc2)n1 ZINC000826276610 608274657 /nfs/dbraw/zinc/27/46/57/608274657.db2.gz NQXOHLMOFOBZJY-UHFFFAOYSA-N -1 3 374.452 3.027 20 0 FGADHM Cc1cc(C)n(-c2ccc(CCNc3nc(C)ccc3-c3nn[n-]n3)cc2)n1 ZINC000826276610 608274659 /nfs/dbraw/zinc/27/46/59/608274659.db2.gz NQXOHLMOFOBZJY-UHFFFAOYSA-N -1 3 374.452 3.027 20 0 FGADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)C(F)(F)c2ccccc2F)s1 ZINC000825694678 608275588 /nfs/dbraw/zinc/27/55/88/608275588.db2.gz ZEKIVQOHVSVDOU-UHFFFAOYSA-N -1 3 367.356 3.360 20 0 FGADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)C(F)(F)c2ccccc2F)s1 ZINC000825694678 608275589 /nfs/dbraw/zinc/27/55/89/608275589.db2.gz ZEKIVQOHVSVDOU-UHFFFAOYSA-N -1 3 367.356 3.360 20 0 FGADHM COCCSc1ccc([C@H](C)Nc2nc(C)ccc2-c2nnn[n-]2)cc1 ZINC000826163425 608282873 /nfs/dbraw/zinc/28/28/73/608282873.db2.gz UFODFXBXLBILJZ-ZDUSSCGKSA-N -1 3 370.482 3.482 20 0 FGADHM COCCSc1ccc([C@H](C)Nc2nc(C)ccc2-c2nn[n-]n2)cc1 ZINC000826163425 608282874 /nfs/dbraw/zinc/28/28/74/608282874.db2.gz UFODFXBXLBILJZ-ZDUSSCGKSA-N -1 3 370.482 3.482 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)c(N2CCC(=Cc3ccccc3F)CC2)n1 ZINC000826273981 608295194 /nfs/dbraw/zinc/29/51/94/608295194.db2.gz CEUHCKKTYKUKPW-UHFFFAOYSA-N -1 3 350.401 3.393 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)c(N2CCC(=Cc3ccccc3F)CC2)n1 ZINC000826273981 608295196 /nfs/dbraw/zinc/29/51/96/608295196.db2.gz CEUHCKKTYKUKPW-UHFFFAOYSA-N -1 3 350.401 3.393 20 0 FGADHM CC(C)(CNc1nc2c(cc1-c1nnn[n-]1)CCCC2)[C@H]1CCCCO1 ZINC000824163048 608295651 /nfs/dbraw/zinc/29/56/51/608295651.db2.gz XBQUXHDMIWYFTC-MRXNPFEDSA-N -1 3 356.474 3.148 20 0 FGADHM CC(C)(CNc1nc2c(cc1-c1nn[n-]n1)CCCC2)[C@H]1CCCCO1 ZINC000824163048 608295652 /nfs/dbraw/zinc/29/56/52/608295652.db2.gz XBQUXHDMIWYFTC-MRXNPFEDSA-N -1 3 356.474 3.148 20 0 FGADHM COCC1(C)CCN(c2ccc(-c3nn[n-]n3)cc2C(F)(F)F)CC1 ZINC000826152497 608297854 /nfs/dbraw/zinc/29/78/54/608297854.db2.gz BDJQELNJGHMFOA-UHFFFAOYSA-N -1 3 355.364 3.138 20 0 FGADHM COc1ccc(CNc2nc3c(cc2-c2nnn[n-]2)CCCC3)c(C)c1 ZINC000826204495 608298158 /nfs/dbraw/zinc/29/81/58/608298158.db2.gz NFOZSYPWHAZERE-UHFFFAOYSA-N -1 3 350.426 3.070 20 0 FGADHM COc1ccc(CNc2nc3c(cc2-c2nn[n-]n2)CCCC3)c(C)c1 ZINC000826204495 608298161 /nfs/dbraw/zinc/29/81/61/608298161.db2.gz NFOZSYPWHAZERE-UHFFFAOYSA-N -1 3 350.426 3.070 20 0 FGADHM CC(C)Cn1ncc(NC(=O)c2ccc(-c3nnn[n-]3)cc2)c1C(C)C ZINC000824284695 608312344 /nfs/dbraw/zinc/31/23/44/608312344.db2.gz NAZNLCXWQGYODK-UHFFFAOYSA-N -1 3 353.430 3.095 20 0 FGADHM CC(C)Cn1ncc(NC(=O)c2ccc(-c3nn[n-]n3)cc2)c1C(C)C ZINC000824284695 608312346 /nfs/dbraw/zinc/31/23/46/608312346.db2.gz NAZNLCXWQGYODK-UHFFFAOYSA-N -1 3 353.430 3.095 20 0 FGADHM CC(C)Cn1ncc(NC(=O)c2cc(-c3nnn[n-]3)cs2)c1C(C)C ZINC000824284875 608312764 /nfs/dbraw/zinc/31/27/64/608312764.db2.gz QLBTUIUODYDZFX-UHFFFAOYSA-N -1 3 359.459 3.156 20 0 FGADHM CC(C)Cn1ncc(NC(=O)c2cc(-c3nn[n-]n3)cs2)c1C(C)C ZINC000824284875 608312766 /nfs/dbraw/zinc/31/27/66/608312766.db2.gz QLBTUIUODYDZFX-UHFFFAOYSA-N -1 3 359.459 3.156 20 0 FGADHM COc1ccc([C@H](OC(=O)c2ccc(-c3nnn[n-]3)cc2)C2CC2)c(C)c1 ZINC000826188917 608317130 /nfs/dbraw/zinc/31/71/30/608317130.db2.gz JTSDCVZOZQGHAF-GOSISDBHSA-N -1 3 364.405 3.492 20 0 FGADHM COc1ccc([C@H](OC(=O)c2ccc(-c3nn[n-]n3)cc2)C2CC2)c(C)c1 ZINC000826188917 608317132 /nfs/dbraw/zinc/31/71/32/608317132.db2.gz JTSDCVZOZQGHAF-GOSISDBHSA-N -1 3 364.405 3.492 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1CNc1c(C)cccc1OC(F)F ZINC000826169925 608320410 /nfs/dbraw/zinc/32/04/10/608320410.db2.gz JVUUKFNHFSDJCF-UHFFFAOYSA-N -1 3 361.352 3.397 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1CNc1c(C)cccc1OC(F)F ZINC000826169925 608320411 /nfs/dbraw/zinc/32/04/11/608320411.db2.gz JVUUKFNHFSDJCF-UHFFFAOYSA-N -1 3 361.352 3.397 20 0 FGADHM CCc1cnccc1[C@@H](C)NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000825733355 608338910 /nfs/dbraw/zinc/33/89/10/608338910.db2.gz DCDPAEDTDXSUCS-SNVBAGLBSA-N -1 3 371.832 3.360 20 0 FGADHM CCc1cnccc1[C@@H](C)NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000825733355 608338912 /nfs/dbraw/zinc/33/89/12/608338912.db2.gz DCDPAEDTDXSUCS-SNVBAGLBSA-N -1 3 371.832 3.360 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)CC[C@H](C)SC ZINC000825605112 608340722 /nfs/dbraw/zinc/34/07/22/608340722.db2.gz QAWMEOVEEKJPSJ-VIFPVBQESA-N -1 3 370.862 3.356 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)CC[C@H](C)SC ZINC000825605112 608340724 /nfs/dbraw/zinc/34/07/24/608340724.db2.gz QAWMEOVEEKJPSJ-VIFPVBQESA-N -1 3 370.862 3.356 20 0 FGADHM CCN(C(=O)CSC(F)(F)F)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825371925 608343836 /nfs/dbraw/zinc/34/38/36/608343836.db2.gz NFDALVGBWVYUAB-UHFFFAOYSA-N -1 3 365.768 3.126 20 0 FGADHM CCN(C(=O)CSC(F)(F)F)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825371925 608343837 /nfs/dbraw/zinc/34/38/37/608343837.db2.gz NFDALVGBWVYUAB-UHFFFAOYSA-N -1 3 365.768 3.126 20 0 FGADHM CCN(C(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)C1CC1 ZINC000825376790 608356805 /nfs/dbraw/zinc/35/68/05/608356805.db2.gz NRNXQOKBLWDIPH-UHFFFAOYSA-N -1 3 362.437 3.228 20 0 FGADHM CCN(C(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)C1CC1 ZINC000825376790 608356807 /nfs/dbraw/zinc/35/68/07/608356807.db2.gz NRNXQOKBLWDIPH-UHFFFAOYSA-N -1 3 362.437 3.228 20 0 FGADHM CCOC(=O)CCCCCSCc1cccc(-c2nnn[n-]2)c1F ZINC000825507231 608404228 /nfs/dbraw/zinc/40/42/28/608404228.db2.gz PHTIATRNCNCMCE-UHFFFAOYSA-N -1 3 352.435 3.363 20 0 FGADHM CCOC(=O)CCCCCSCc1cccc(-c2nn[n-]n2)c1F ZINC000825507231 608404230 /nfs/dbraw/zinc/40/42/30/608404230.db2.gz PHTIATRNCNCMCE-UHFFFAOYSA-N -1 3 352.435 3.363 20 0 FGADHM Fc1c(CSCc2ccc3c(c2)OCCO3)cccc1-c1nnn[n-]1 ZINC000826370678 608405021 /nfs/dbraw/zinc/40/50/21/608405021.db2.gz DAVIEJRFLWLYDS-UHFFFAOYSA-N -1 3 358.398 3.210 20 0 FGADHM Fc1c(CSCc2ccc3c(c2)OCCO3)cccc1-c1nn[n-]n1 ZINC000826370678 608405023 /nfs/dbraw/zinc/40/50/23/608405023.db2.gz DAVIEJRFLWLYDS-UHFFFAOYSA-N -1 3 358.398 3.210 20 0 FGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)C12CC3CC(CC(C3)C1)C2 ZINC000826465908 608437395 /nfs/dbraw/zinc/43/73/95/608437395.db2.gz IGSTWEWUKHQJCO-UHFFFAOYSA-N -1 3 356.401 3.265 20 0 FGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)C12CC3CC(CC(C3)C1)C2 ZINC000826465908 608437397 /nfs/dbraw/zinc/43/73/97/608437397.db2.gz IGSTWEWUKHQJCO-UHFFFAOYSA-N -1 3 356.401 3.265 20 0 FGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)c1c(F)cccc1Cl ZINC000826466370 608437488 /nfs/dbraw/zinc/43/74/88/608437488.db2.gz ZCYBMBPEZGCSFF-UHFFFAOYSA-N -1 3 350.712 3.155 20 0 FGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)c1c(F)cccc1Cl ZINC000826466370 608437490 /nfs/dbraw/zinc/43/74/90/608437490.db2.gz ZCYBMBPEZGCSFF-UHFFFAOYSA-N -1 3 350.712 3.155 20 0 FGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000826465813 608449962 /nfs/dbraw/zinc/44/99/62/608449962.db2.gz DRPDMBWTDUOSRZ-CHWSQXEVSA-N -1 3 374.322 3.131 20 0 FGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000826465813 608449963 /nfs/dbraw/zinc/44/99/63/608449963.db2.gz DRPDMBWTDUOSRZ-CHWSQXEVSA-N -1 3 374.322 3.131 20 0 FGADHM CCCc1csc(NC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000825348010 608489773 /nfs/dbraw/zinc/48/97/73/608489773.db2.gz AEKXJDRQGPLLOV-UHFFFAOYSA-N -1 3 374.495 3.148 20 0 FGADHM CCCc1csc(NC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000825348010 608489775 /nfs/dbraw/zinc/48/97/75/608489775.db2.gz AEKXJDRQGPLLOV-UHFFFAOYSA-N -1 3 374.495 3.148 20 0 FGADHM CC[C@H](OC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1F ZINC000825153524 608499744 /nfs/dbraw/zinc/49/97/44/608499744.db2.gz IBFLNPFDICSIOF-INIZCTEOSA-N -1 3 358.348 3.382 20 0 FGADHM CC[C@H](OC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1F ZINC000825153524 608499745 /nfs/dbraw/zinc/49/97/45/608499745.db2.gz IBFLNPFDICSIOF-INIZCTEOSA-N -1 3 358.348 3.382 20 0 FGADHM CN(Cc1nc2ccc(Cl)cc2n1C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000825976804 608522023 /nfs/dbraw/zinc/52/20/23/608522023.db2.gz QOXRYWPKYFRQQE-UHFFFAOYSA-N -1 3 367.844 3.039 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1Oc1ccc(NC(=O)C(C)(C)F)cc1 ZINC000826176283 608542126 /nfs/dbraw/zinc/54/21/26/608542126.db2.gz IYDQPERQWWKPIE-UHFFFAOYSA-N -1 3 371.372 3.354 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1Oc1ccc(NC(=O)C(C)(C)F)cc1 ZINC000826176283 608542128 /nfs/dbraw/zinc/54/21/28/608542128.db2.gz IYDQPERQWWKPIE-UHFFFAOYSA-N -1 3 371.372 3.354 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)nc1N(C)Cc1ccccc1OC(F)(F)F ZINC000826280251 608542227 /nfs/dbraw/zinc/54/22/27/608542227.db2.gz UJIZBWAYNYFMMI-UHFFFAOYSA-N -1 3 364.331 3.105 20 0 FGADHM CCc1nn(C)c(Cl)c1CN(CC)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825759611 608551252 /nfs/dbraw/zinc/55/12/52/608551252.db2.gz KSRKKMALUJRDTF-GFCCVEGCSA-N -1 3 373.892 3.399 20 0 FGADHM CC1(C)CC[C@H](NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)C1 ZINC000824802370 608554366 /nfs/dbraw/zinc/55/43/66/608554366.db2.gz MGXACYTWEZJCTK-HNNXBMFYSA-N -1 3 357.458 3.111 20 0 FGADHM CC1(C)CC[C@H](NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)C1 ZINC000824802370 608554367 /nfs/dbraw/zinc/55/43/67/608554367.db2.gz MGXACYTWEZJCTK-HNNXBMFYSA-N -1 3 357.458 3.111 20 0 FGADHM Clc1ccccc1-n1cc(NCc2cc(-c3nnn[n-]3)cs2)cn1 ZINC000826353097 608568787 /nfs/dbraw/zinc/56/87/87/608568787.db2.gz BDMKNIXCTBAUAA-UHFFFAOYSA-N -1 3 357.830 3.379 20 0 FGADHM Clc1ccccc1-n1cc(NCc2cc(-c3nn[n-]n3)cs2)cn1 ZINC000826353097 608568789 /nfs/dbraw/zinc/56/87/89/608568789.db2.gz BDMKNIXCTBAUAA-UHFFFAOYSA-N -1 3 357.830 3.379 20 0 FGADHM O=C(Nc1nc2c(cc1-c1nnn[n-]1)CCCC2)c1cc2ccccc2o1 ZINC000826460078 608572988 /nfs/dbraw/zinc/57/29/88/608572988.db2.gz MDJVOPMNSGJTQO-UHFFFAOYSA-N -1 3 360.377 3.139 20 0 FGADHM O=C(Nc1nc2c(cc1-c1nn[n-]n1)CCCC2)c1cc2ccccc2o1 ZINC000826460078 608572990 /nfs/dbraw/zinc/57/29/90/608572990.db2.gz MDJVOPMNSGJTQO-UHFFFAOYSA-N -1 3 360.377 3.139 20 0 FGADHM CC[C@H](NC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)c1ccc(OC)cc1 ZINC000825133405 608573708 /nfs/dbraw/zinc/57/37/08/608573708.db2.gz MQEQVHCEOZXZPI-INIZCTEOSA-N -1 3 371.828 3.410 20 0 FGADHM CC[C@H](NC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)c1ccc(OC)cc1 ZINC000825133405 608573709 /nfs/dbraw/zinc/57/37/09/608573709.db2.gz MQEQVHCEOZXZPI-INIZCTEOSA-N -1 3 371.828 3.410 20 0 FGADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc(F)c(Cl)c1F ZINC000825971453 608575266 /nfs/dbraw/zinc/57/52/66/608575266.db2.gz GYUNAQSVXLKQTH-UHFFFAOYSA-N -1 3 363.755 3.071 20 0 FGADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc(F)c(Cl)c1F ZINC000825971453 608575268 /nfs/dbraw/zinc/57/52/68/608575268.db2.gz GYUNAQSVXLKQTH-UHFFFAOYSA-N -1 3 363.755 3.071 20 0 FGADHM Fc1ccc2[nH]c3c(c2c1)CN(Cc1ccc(-c2nnn[n-]2)s1)CC3 ZINC000826375830 608587631 /nfs/dbraw/zinc/58/76/31/608587631.db2.gz DETPRRMHKZOQMX-UHFFFAOYSA-N -1 3 354.414 3.107 20 0 FGADHM CCCCCCC(=O)NC1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000825266387 608602442 /nfs/dbraw/zinc/60/24/42/608602442.db2.gz FOTBGFUZXVZBEC-UHFFFAOYSA-N -1 3 372.473 3.038 20 0 FGADHM CCCCCCC(=O)NC1CCC(Oc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000825266387 608602446 /nfs/dbraw/zinc/60/24/46/608602446.db2.gz FOTBGFUZXVZBEC-UHFFFAOYSA-N -1 3 372.473 3.038 20 0 FGADHM COC(=O)[C@@H](N[C@@H](C)c1cc(C)sc1C)c1cccc(-c2nnn[n-]2)c1 ZINC000826111543 608753688 /nfs/dbraw/zinc/75/36/88/608753688.db2.gz GSNZSDOOTPNBSB-ZBEGNZNMSA-N -1 3 371.466 3.110 20 0 FGADHM COC(=O)[C@@H](N[C@@H](C)c1cc(C)sc1C)c1cccc(-c2nn[n-]n2)c1 ZINC000826111543 608753690 /nfs/dbraw/zinc/75/36/90/608753690.db2.gz GSNZSDOOTPNBSB-ZBEGNZNMSA-N -1 3 371.466 3.110 20 0 FGADHM Fc1ccc(CN2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)cc1Cl ZINC000826374727 608850884 /nfs/dbraw/zinc/85/08/84/608850884.db2.gz KSTCXCKKFMUUSG-KRWDZBQOSA-N -1 3 373.819 3.233 20 0 FGADHM Fc1ccc(CN2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)cc1Cl ZINC000826374727 608850885 /nfs/dbraw/zinc/85/08/85/608850885.db2.gz KSTCXCKKFMUUSG-KRWDZBQOSA-N -1 3 373.819 3.233 20 0 FGADHM CCc1ccc(CN2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)s1 ZINC000825711798 608853858 /nfs/dbraw/zinc/85/38/58/608853858.db2.gz GOESMMUWCSPYTF-QGZVFWFLSA-N -1 3 355.467 3.064 20 0 FGADHM CCOc1c(CNc2cccc(-c3nnn[n-]3)c2)c(C)nn1CC(C)C ZINC000825604256 608871632 /nfs/dbraw/zinc/87/16/32/608871632.db2.gz GHVYXNNGJMFDCI-UHFFFAOYSA-N -1 3 355.446 3.038 20 0 FGADHM CCOc1c(CNc2cccc(-c3nn[n-]n3)c2)c(C)nn1CC(C)C ZINC000825604256 608871634 /nfs/dbraw/zinc/87/16/34/608871634.db2.gz GHVYXNNGJMFDCI-UHFFFAOYSA-N -1 3 355.446 3.038 20 0 FGADHM Cc1cc(C(=O)Nc2sc(C)c(C)c2-c2nnn[n-]2)nn1[C@@H](C)C1CC1 ZINC000826349450 609145318 /nfs/dbraw/zinc/14/53/18/609145318.db2.gz IBNONQVGYWUQRZ-JTQLQIEISA-N -1 3 371.470 3.273 20 0 FGADHM Cc1cc(C(=O)Nc2sc(C)c(C)c2-c2nn[n-]n2)nn1[C@@H](C)C1CC1 ZINC000826349450 609145320 /nfs/dbraw/zinc/14/53/20/609145320.db2.gz IBNONQVGYWUQRZ-JTQLQIEISA-N -1 3 371.470 3.273 20 0 FGADHM CN(Cc1cc(F)c(F)c(F)c1)c1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000825953280 609171749 /nfs/dbraw/zinc/17/17/49/609171749.db2.gz CRBCIRKCUWFRLU-UHFFFAOYSA-N -1 3 370.338 3.469 20 0 FGADHM CN(Cc1cc(F)c(F)c(F)c1)c1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000825953280 609171751 /nfs/dbraw/zinc/17/17/51/609171751.db2.gz CRBCIRKCUWFRLU-UHFFFAOYSA-N -1 3 370.338 3.469 20 0 FGADHM CC(=O)c1ccc(C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)c(F)c1 ZINC000824020015 609173529 /nfs/dbraw/zinc/17/35/29/609173529.db2.gz ZCTDIAHRXXRIKI-UHFFFAOYSA-N -1 3 370.388 3.017 20 0 FGADHM CC(=O)c1ccc(C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)c(F)c1 ZINC000824020015 609173531 /nfs/dbraw/zinc/17/35/31/609173531.db2.gz ZCTDIAHRXXRIKI-UHFFFAOYSA-N -1 3 370.388 3.017 20 0 FGADHM CC(C)c1ccc([C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C(C)C)cc1 ZINC000824348101 609190512 /nfs/dbraw/zinc/19/05/12/609190512.db2.gz ZMZANWYHFDAVQA-QGZVFWFLSA-N -1 3 352.442 3.445 20 0 FGADHM CC(C)c1ccc([C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C(C)C)cc1 ZINC000824348101 609190514 /nfs/dbraw/zinc/19/05/14/609190514.db2.gz ZMZANWYHFDAVQA-QGZVFWFLSA-N -1 3 352.442 3.445 20 0 FGADHM C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000824764220 609203162 /nfs/dbraw/zinc/20/31/62/609203162.db2.gz UNGLMYQCZWXTLX-QMMMGPOBSA-N -1 3 365.224 3.335 20 0 FGADHM C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000824764220 609203163 /nfs/dbraw/zinc/20/31/63/609203163.db2.gz UNGLMYQCZWXTLX-QMMMGPOBSA-N -1 3 365.224 3.335 20 0 FGADHM Cc1c2ccccc2oc1[C@@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)C ZINC000826235890 609212025 /nfs/dbraw/zinc/21/20/25/609212025.db2.gz UFERHZFOMRAULO-INIZCTEOSA-N -1 3 364.409 3.377 20 0 FGADHM Cc1c2ccccc2oc1[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)C ZINC000826235890 609212026 /nfs/dbraw/zinc/21/20/26/609212026.db2.gz UFERHZFOMRAULO-INIZCTEOSA-N -1 3 364.409 3.377 20 0 FGADHM C[C@@H](Nc1cc2c(cc1Cl)OCCO2)c1ccc(-c2nnn[n-]2)cc1 ZINC000824648371 609254137 /nfs/dbraw/zinc/25/41/37/609254137.db2.gz FAFAICFRZNZPAN-SNVBAGLBSA-N -1 3 357.801 3.464 20 0 FGADHM C[C@@H](Nc1cc2c(cc1Cl)OCCO2)c1ccc(-c2nn[n-]n2)cc1 ZINC000824648371 609254138 /nfs/dbraw/zinc/25/41/38/609254138.db2.gz FAFAICFRZNZPAN-SNVBAGLBSA-N -1 3 357.801 3.464 20 0 FGADHM C[C@H](Nc1cc(F)cc(N2CCOCC2)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824650566 609277790 /nfs/dbraw/zinc/27/77/90/609277790.db2.gz RRKHKOCZUYVRJE-ZDUSSCGKSA-N -1 3 368.416 3.016 20 0 FGADHM C[C@H](Nc1cc(F)cc(N2CCOCC2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824650566 609277792 /nfs/dbraw/zinc/27/77/92/609277792.db2.gz RRKHKOCZUYVRJE-ZDUSSCGKSA-N -1 3 368.416 3.016 20 0 FGADHM Cc1ccc(N2CCOC2=O)cc1N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826290558 609280716 /nfs/dbraw/zinc/28/07/16/609280716.db2.gz QHGULLGCIMUQBG-CYBMUJFWSA-N -1 3 364.409 3.305 20 0 FGADHM Cc1ccc(N2CCOC2=O)cc1N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826290558 609280717 /nfs/dbraw/zinc/28/07/17/609280717.db2.gz QHGULLGCIMUQBG-CYBMUJFWSA-N -1 3 364.409 3.305 20 0 FGADHM CN(Cc1cccc(Cl)c1)C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000825976991 609286714 /nfs/dbraw/zinc/28/67/14/609286714.db2.gz UZMKKZXFBOYOJD-UHFFFAOYSA-N -1 3 362.220 3.446 20 0 FGADHM CN(Cc1cccc(Cl)c1)C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000825976991 609286715 /nfs/dbraw/zinc/28/67/15/609286715.db2.gz UZMKKZXFBOYOJD-UHFFFAOYSA-N -1 3 362.220 3.446 20 0 FGADHM O=C(c1ccc(Cl)c(-c2nnn[n-]2)c1)N1CCC[C@@H]1c1ccccc1 ZINC000826472999 609288149 /nfs/dbraw/zinc/28/81/49/609288149.db2.gz GHQSHRXEUGEPBV-MRXNPFEDSA-N -1 3 353.813 3.497 20 0 FGADHM O=C(c1ccc(Cl)c(-c2nn[n-]n2)c1)N1CCC[C@@H]1c1ccccc1 ZINC000826472999 609288151 /nfs/dbraw/zinc/28/81/51/609288151.db2.gz GHQSHRXEUGEPBV-MRXNPFEDSA-N -1 3 353.813 3.497 20 0 FGADHM CCC[C@H](C)c1cc(NC(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)n[nH]1 ZINC000825232263 609291626 /nfs/dbraw/zinc/29/16/26/609291626.db2.gz FREPTUUKAICULN-VIFPVBQESA-N -1 3 359.821 3.399 20 0 FGADHM CCC[C@H](C)c1cc(NC(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)n[nH]1 ZINC000825232263 609291628 /nfs/dbraw/zinc/29/16/28/609291628.db2.gz FREPTUUKAICULN-VIFPVBQESA-N -1 3 359.821 3.399 20 0 FGADHM Cc1cc(Cl)c(C(=O)OCC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000826267849 609295668 /nfs/dbraw/zinc/29/56/68/609295668.db2.gz ZRPQBQXXRNQSGH-UHFFFAOYSA-N -1 3 370.796 3.177 20 0 FGADHM Cc1cc(Cl)c(C(=O)OCC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000826267849 609295670 /nfs/dbraw/zinc/29/56/70/609295670.db2.gz ZRPQBQXXRNQSGH-UHFFFAOYSA-N -1 3 370.796 3.177 20 0 FGADHM Cc1nnc(N2CCC[C@H](c3ccc(F)cc3)CC2)c(-c2nnn[n-]2)c1C ZINC000826335821 609326019 /nfs/dbraw/zinc/32/60/19/609326019.db2.gz CQNYJYKMPZDSIP-AWEZNQCLSA-N -1 3 367.432 3.187 20 0 FGADHM Cc1nnc(N2CCC[C@H](c3ccc(F)cc3)CC2)c(-c2nn[n-]n2)c1C ZINC000826335821 609326021 /nfs/dbraw/zinc/32/60/21/609326021.db2.gz CQNYJYKMPZDSIP-AWEZNQCLSA-N -1 3 367.432 3.187 20 0 FGADHM Brc1cc(-c2nnn[n-]2)ccc1CSC[C@@H]1CCCCO1 ZINC000823820981 609328138 /nfs/dbraw/zinc/32/81/38/609328138.db2.gz NIPMUBBFEITUEO-LBPRGKRZSA-N -1 3 369.288 3.432 20 0 FGADHM Brc1cc(-c2nn[n-]n2)ccc1CSC[C@@H]1CCCCO1 ZINC000823820981 609328140 /nfs/dbraw/zinc/32/81/40/609328140.db2.gz NIPMUBBFEITUEO-LBPRGKRZSA-N -1 3 369.288 3.432 20 0 FGADHM CCc1ccc([C@@H](COC)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2F)o1 ZINC000825704399 609337546 /nfs/dbraw/zinc/33/75/46/609337546.db2.gz GUFPVPHPKMPSTD-BDJLRTHQSA-N -1 3 359.405 3.200 20 0 FGADHM CCc1ccc([C@@H](COC)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2F)o1 ZINC000825704399 609337548 /nfs/dbraw/zinc/33/75/48/609337548.db2.gz GUFPVPHPKMPSTD-BDJLRTHQSA-N -1 3 359.405 3.200 20 0 FGADHM Cc1ccc2c(c1C)OC[C@@H]2N[C@H](C)c1ccc(-c2nnn[n-]2)cc1F ZINC000826293859 609342000 /nfs/dbraw/zinc/34/20/00/609342000.db2.gz CWAWNMMRCDFRKN-PXAZEXFGSA-N -1 3 353.401 3.407 20 0 FGADHM Cc1ccc2c(c1C)OC[C@@H]2N[C@H](C)c1ccc(-c2nn[n-]n2)cc1F ZINC000826293859 609342002 /nfs/dbraw/zinc/34/20/02/609342002.db2.gz CWAWNMMRCDFRKN-PXAZEXFGSA-N -1 3 353.401 3.407 20 0 FGADHM Cc1ccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2F)cc1C(=O)N(C)C ZINC000826291425 609350591 /nfs/dbraw/zinc/35/05/91/609350591.db2.gz FKUCSTGWMCFNEO-LBPRGKRZSA-N -1 3 368.416 3.189 20 0 FGADHM Cc1ccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2F)cc1C(=O)N(C)C ZINC000826291425 609350592 /nfs/dbraw/zinc/35/05/92/609350592.db2.gz FKUCSTGWMCFNEO-LBPRGKRZSA-N -1 3 368.416 3.189 20 0 FGADHM CCC(CC)[C@H]1C[C@H](NC(=O)Nc2cc(-c3nnn[n-]3)ccc2C)CCO1 ZINC000825106813 609381203 /nfs/dbraw/zinc/38/12/03/609381203.db2.gz IWAZHPFLEGJIPI-NVXWUHKLSA-N -1 3 372.473 3.280 20 0 FGADHM CCC(CC)[C@H]1C[C@H](NC(=O)Nc2cc(-c3nn[n-]n3)ccc2C)CCO1 ZINC000825106813 609381204 /nfs/dbraw/zinc/38/12/04/609381204.db2.gz IWAZHPFLEGJIPI-NVXWUHKLSA-N -1 3 372.473 3.280 20 0 FGADHM CCN(C(=O)C[C@H]1CCO[C@H](C(C)C)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825366728 609392481 /nfs/dbraw/zinc/39/24/81/609392481.db2.gz FKDZUQLVKZWVAG-YOEHRIQHSA-N -1 3 357.458 3.061 20 0 FGADHM CCN(C(=O)C[C@H]1CCO[C@H](C(C)C)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825366728 609392484 /nfs/dbraw/zinc/39/24/84/609392484.db2.gz FKDZUQLVKZWVAG-YOEHRIQHSA-N -1 3 357.458 3.061 20 0 FGADHM O=C(c1cc(-c2nnn[n-]2)cs1)N1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000826470271 609405917 /nfs/dbraw/zinc/40/59/17/609405917.db2.gz KLMTYYQNIJWXAN-LBPRGKRZSA-N -1 3 371.441 3.477 20 0 FGADHM O=C(c1cc(-c2nn[n-]n2)cs1)N1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000826470271 609405919 /nfs/dbraw/zinc/40/59/19/609405919.db2.gz KLMTYYQNIJWXAN-LBPRGKRZSA-N -1 3 371.441 3.477 20 0 FGADHM CCc1csc([C@H]2CCCN(c3nc(C)cc(C)c3-c3nnn[n-]3)C2)n1 ZINC000825739212 609425091 /nfs/dbraw/zinc/42/50/91/609425091.db2.gz BOERTTUEESSXMT-ZDUSSCGKSA-N -1 3 369.498 3.281 20 0 FGADHM CCc1csc([C@H]2CCCN(c3nc(C)cc(C)c3-c3nn[n-]n3)C2)n1 ZINC000825739212 609425093 /nfs/dbraw/zinc/42/50/93/609425093.db2.gz BOERTTUEESSXMT-ZDUSSCGKSA-N -1 3 369.498 3.281 20 0 FGADHM CC(C)n1cnnc1C1CCN(c2cc(Cl)ccc2-c2nnn[n-]2)CC1 ZINC000824377667 609426603 /nfs/dbraw/zinc/42/66/03/609426603.db2.gz KSDJSIKCNGBSPN-UHFFFAOYSA-N -1 3 372.864 3.077 20 0 FGADHM CC(C)n1cnnc1C1CCN(c2cc(Cl)ccc2-c2nn[n-]n2)CC1 ZINC000824377667 609426605 /nfs/dbraw/zinc/42/66/05/609426605.db2.gz KSDJSIKCNGBSPN-UHFFFAOYSA-N -1 3 372.864 3.077 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NCc1cccc(Br)c1 ZINC000826187049 609437690 /nfs/dbraw/zinc/43/76/90/609437690.db2.gz XDXCCLQYROIDOU-UHFFFAOYSA-N -1 3 360.215 3.250 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NCc1cccc(Br)c1 ZINC000826187049 609437693 /nfs/dbraw/zinc/43/76/93/609437693.db2.gz XDXCCLQYROIDOU-UHFFFAOYSA-N -1 3 360.215 3.250 20 0 FGADHM CC(C)(C)C[C@H](NC(=O)NCc1cccc(-c2nnn[n-]2)c1)C(F)(F)F ZINC000824086849 609438641 /nfs/dbraw/zinc/43/86/41/609438641.db2.gz NYWPOHVJDKWOMV-LBPRGKRZSA-N -1 3 370.379 3.033 20 0 FGADHM CC(C)(C)C[C@H](NC(=O)NCc1cccc(-c2nn[n-]n2)c1)C(F)(F)F ZINC000824086849 609438644 /nfs/dbraw/zinc/43/86/44/609438644.db2.gz NYWPOHVJDKWOMV-LBPRGKRZSA-N -1 3 370.379 3.033 20 0 FGADHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N(CCc1ccccc1)c1ccccc1 ZINC000826469048 609449096 /nfs/dbraw/zinc/44/90/96/609449096.db2.gz SAQHWVHWOYMUHF-UHFFFAOYSA-N -1 3 358.405 3.084 20 0 FGADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N(CCc1ccccc1)c1ccccc1 ZINC000826469048 609449098 /nfs/dbraw/zinc/44/90/98/609449098.db2.gz SAQHWVHWOYMUHF-UHFFFAOYSA-N -1 3 358.405 3.084 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H](C)Cc1ccc(C)cc1 ZINC000826185495 609450661 /nfs/dbraw/zinc/45/06/61/609450661.db2.gz LJKQVOFMBRFQAU-CYBMUJFWSA-N -1 3 351.410 3.001 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H](C)Cc1ccc(C)cc1 ZINC000826185495 609450664 /nfs/dbraw/zinc/45/06/64/609450664.db2.gz LJKQVOFMBRFQAU-CYBMUJFWSA-N -1 3 351.410 3.001 20 0 FGADHM c1ccc([C@@H](Nc2nc3ccccn3c2-c2nnn[n-]2)c2ccccn2)cc1 ZINC000826521104 609458915 /nfs/dbraw/zinc/45/89/15/609458915.db2.gz ZPXBXEQHOOFCBE-QGZVFWFLSA-N -1 3 368.404 3.111 20 0 FGADHM c1ccc([C@@H](Nc2nc3ccccn3c2-c2nn[n-]n2)c2ccccn2)cc1 ZINC000826521104 609458918 /nfs/dbraw/zinc/45/89/18/609458918.db2.gz ZPXBXEQHOOFCBE-QGZVFWFLSA-N -1 3 368.404 3.111 20 0 FGADHM COc1cc(CNc2cc(-c3nnn[n-]3)ccc2C)cc(Cl)c1OC ZINC000826179161 609478655 /nfs/dbraw/zinc/47/86/55/609478655.db2.gz BVDLLWYBXXSGMY-UHFFFAOYSA-N -1 3 359.817 3.458 20 0 FGADHM COc1cc(CNc2cc(-c3nn[n-]n3)ccc2C)cc(Cl)c1OC ZINC000826179161 609478656 /nfs/dbraw/zinc/47/86/56/609478656.db2.gz BVDLLWYBXXSGMY-UHFFFAOYSA-N -1 3 359.817 3.458 20 0 FGADHM CSc1c(F)cc(NCCOc2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000826229876 609482189 /nfs/dbraw/zinc/48/21/89/609482189.db2.gz VABFGJKUOBDRLA-UHFFFAOYSA-N -1 3 363.393 3.358 20 0 FGADHM Cc1c(NCc2nc3cc(Cl)ccc3n2C)cccc1-c1nnn[n-]1 ZINC000826242785 609487150 /nfs/dbraw/zinc/48/71/50/609487150.db2.gz GDRZVOZEOKOJLB-UHFFFAOYSA-N -1 3 353.817 3.327 20 0 FGADHM Cc1c(NCc2nc3cc(Cl)ccc3n2C)cccc1-c1nn[n-]n1 ZINC000826242785 609487153 /nfs/dbraw/zinc/48/71/53/609487153.db2.gz GDRZVOZEOKOJLB-UHFFFAOYSA-N -1 3 353.817 3.327 20 0 FGADHM CCOC(=O)Nc1ccc(NCc2csc(CC)n2)cc1-c1nnn[n-]1 ZINC000825552995 609490585 /nfs/dbraw/zinc/49/05/85/609490585.db2.gz HHUZAHCHQYDXOY-UHFFFAOYSA-N -1 3 373.442 3.066 20 0 FGADHM CCOC(=O)Nc1ccc(NCc2csc(CC)n2)cc1-c1nn[n-]n1 ZINC000825552995 609490586 /nfs/dbraw/zinc/49/05/86/609490586.db2.gz HHUZAHCHQYDXOY-UHFFFAOYSA-N -1 3 373.442 3.066 20 0 FGADHM Cc1ccc2ncc(CNc3ccc(OC(C)C)c(-c4nnn[n-]4)c3)n2c1 ZINC000826295554 609493704 /nfs/dbraw/zinc/49/37/04/609493704.db2.gz MNKVOKJWOWFYLV-UHFFFAOYSA-N -1 3 363.425 3.222 20 0 FGADHM Cc1ccc2ncc(CNc3ccc(OC(C)C)c(-c4nn[n-]n4)c3)n2c1 ZINC000826295554 609493705 /nfs/dbraw/zinc/49/37/05/609493705.db2.gz MNKVOKJWOWFYLV-UHFFFAOYSA-N -1 3 363.425 3.222 20 0 FGADHM Cc1ccccc1C1=CCN(C(=O)C=Cc2ccccc2-c2nnn[n-]2)C1 ZINC000826306994 609502777 /nfs/dbraw/zinc/50/27/77/609502777.db2.gz SGOHHZUGXCOJPW-ZHACJKMWSA-N -1 3 357.417 3.114 20 0 FGADHM Cc1ccccc1C1=CCN(C(=O)C=Cc2ccccc2-c2nn[n-]n2)C1 ZINC000826306994 609502780 /nfs/dbraw/zinc/50/27/80/609502780.db2.gz SGOHHZUGXCOJPW-ZHACJKMWSA-N -1 3 357.417 3.114 20 0 FGADHM Cc1cc(C=C2N=C(c3ccc(-c4nnn[n-]4)cc3)OC2=O)ccc1Cl ZINC000826266688 609505020 /nfs/dbraw/zinc/50/50/20/609505020.db2.gz XWGWNKFGSRAUOH-DHDCSXOGSA-N -1 3 365.780 3.173 20 0 FGADHM Cc1cc(C=C2N=C(c3ccc(-c4nn[n-]n4)cc3)OC2=O)ccc1Cl ZINC000826266688 609505023 /nfs/dbraw/zinc/50/50/23/609505023.db2.gz XWGWNKFGSRAUOH-DHDCSXOGSA-N -1 3 365.780 3.173 20 0 FGADHM Cc1cc(C=C2N=C(c3ccc(-c4nnn[n-]4)cc3)OC2=O)ccc1Cl ZINC000826266689 609505040 /nfs/dbraw/zinc/50/50/40/609505040.db2.gz XWGWNKFGSRAUOH-OQLLNIDSSA-N -1 3 365.780 3.173 20 0 FGADHM Cc1cc(C=C2N=C(c3ccc(-c4nn[n-]n4)cc3)OC2=O)ccc1Cl ZINC000826266689 609505041 /nfs/dbraw/zinc/50/50/41/609505041.db2.gz XWGWNKFGSRAUOH-OQLLNIDSSA-N -1 3 365.780 3.173 20 0 FGADHM CCC[C@@H]1C[C@H](C(=O)N(CC(C)C)c2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000825253564 609523368 /nfs/dbraw/zinc/52/33/68/609523368.db2.gz OFQAXMSRKSVYPF-SJLPKXTDSA-N -1 3 371.485 3.451 20 0 FGADHM CCC[C@@H]1C[C@H](C(=O)N(CC(C)C)c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000825253564 609523370 /nfs/dbraw/zinc/52/33/70/609523370.db2.gz OFQAXMSRKSVYPF-SJLPKXTDSA-N -1 3 371.485 3.451 20 0 FGADHM Cc1ccnc(N[C@@H](C)c2nc3ccccc3n2C(F)F)c1-c1nnn[n-]1 ZINC000826311982 609527206 /nfs/dbraw/zinc/52/72/06/609527206.db2.gz SBHLJUPPVAIPNH-JTQLQIEISA-N -1 3 370.367 3.488 20 0 FGADHM Cc1ccnc(N[C@@H](C)c2nc3ccccc3n2C(F)F)c1-c1nn[n-]n1 ZINC000826311982 609527208 /nfs/dbraw/zinc/52/72/08/609527208.db2.gz SBHLJUPPVAIPNH-JTQLQIEISA-N -1 3 370.367 3.488 20 0 FGADHM Cc1c(Cl)cnc(N[C@H](C)c2nc3ccccc3[nH]2)c1-c1nnn[n-]1 ZINC000826239081 609539542 /nfs/dbraw/zinc/53/95/42/609539542.db2.gz XOHOFVYIUQEDGM-SECBINFHSA-N -1 3 354.805 3.273 20 0 FGADHM Cc1c(Cl)cnc(N[C@H](C)c2nc3ccccc3[nH]2)c1-c1nn[n-]n1 ZINC000826239081 609539543 /nfs/dbraw/zinc/53/95/43/609539543.db2.gz XOHOFVYIUQEDGM-SECBINFHSA-N -1 3 354.805 3.273 20 0 FGADHM CCCN(C[C@H]1CCCCO1)c1ncc(Cl)c(C)c1-c1nnn[n-]1 ZINC000825313665 609549855 /nfs/dbraw/zinc/54/98/55/609549855.db2.gz NPBLEQVEQGGNJQ-GFCCVEGCSA-N -1 3 350.854 3.009 20 0 FGADHM CCCN(C[C@H]1CCCCO1)c1ncc(Cl)c(C)c1-c1nn[n-]n1 ZINC000825313665 609549857 /nfs/dbraw/zinc/54/98/57/609549857.db2.gz NPBLEQVEQGGNJQ-GFCCVEGCSA-N -1 3 350.854 3.009 20 0 FGADHM CCC[C@@H]1C[C@H](C(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)CCO1 ZINC000825255181 609578369 /nfs/dbraw/zinc/57/83/69/609578369.db2.gz WBQOLRYOKJSULF-UKRRQHHQSA-N -1 3 373.457 3.188 20 0 FGADHM CCC[C@@H]1C[C@H](C(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)CCO1 ZINC000825255181 609578370 /nfs/dbraw/zinc/57/83/70/609578370.db2.gz WBQOLRYOKJSULF-UKRRQHHQSA-N -1 3 373.457 3.188 20 0 FGADHM CCOC(=O)Nc1ccc(NC(=O)[C@H](C)[C@H](C)CC)cc1-c1nnn[n-]1 ZINC000825523749 609579574 /nfs/dbraw/zinc/57/95/74/609579574.db2.gz UAHDENIDCRWJAO-GHMZBOCLSA-N -1 3 360.418 3.056 20 0 FGADHM CCOC(=O)Nc1ccc(NC(=O)[C@H](C)[C@H](C)CC)cc1-c1nn[n-]n1 ZINC000825523749 609579576 /nfs/dbraw/zinc/57/95/76/609579576.db2.gz UAHDENIDCRWJAO-GHMZBOCLSA-N -1 3 360.418 3.056 20 0 FGADHM Cc1cc(F)ccc1COC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000826269021 609607366 /nfs/dbraw/zinc/60/73/66/609607366.db2.gz XWUBBMGJTAZWNC-UHFFFAOYSA-N -1 3 372.425 3.291 20 0 FGADHM Cc1cc(F)ccc1COC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000826269021 609607368 /nfs/dbraw/zinc/60/73/68/609607368.db2.gz XWUBBMGJTAZWNC-UHFFFAOYSA-N -1 3 372.425 3.291 20 0 FGADHM O=C(OCc1ccc(Cl)cc1-c1nnn[n-]1)c1ccc(F)cc1F ZINC000826465288 609613988 /nfs/dbraw/zinc/61/39/88/609613988.db2.gz GYPFPDKTSJSQGO-UHFFFAOYSA-N -1 3 350.712 3.155 20 0 FGADHM O=C(OCc1ccc(Cl)cc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC000826465288 609613989 /nfs/dbraw/zinc/61/39/89/609613989.db2.gz GYPFPDKTSJSQGO-UHFFFAOYSA-N -1 3 350.712 3.155 20 0 FGADHM CC(C)Oc1cncc(C(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000824338357 609614467 /nfs/dbraw/zinc/61/44/67/609614467.db2.gz YECGUUNIHGFBDD-UHFFFAOYSA-N -1 3 373.800 3.059 20 0 FGADHM CC(C)Oc1cncc(C(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000824338357 609614469 /nfs/dbraw/zinc/61/44/69/609614469.db2.gz YECGUUNIHGFBDD-UHFFFAOYSA-N -1 3 373.800 3.059 20 0 FGADHM O=C(OCc1ccc(Cl)cc1-c1nnn[n-]1)c1ccnc2ccccc21 ZINC000826465250 609615313 /nfs/dbraw/zinc/61/53/13/609615313.db2.gz FNGHBUCZSLMEMT-UHFFFAOYSA-N -1 3 365.780 3.425 20 0 FGADHM O=C(OCc1ccc(Cl)cc1-c1nn[n-]n1)c1ccnc2ccccc21 ZINC000826465250 609615314 /nfs/dbraw/zinc/61/53/14/609615314.db2.gz FNGHBUCZSLMEMT-UHFFFAOYSA-N -1 3 365.780 3.425 20 0 FGADHM O=C(OCc1ccc(Cl)cc1-c1nnn[n-]1)c1nc(Cl)ccc1F ZINC000826465494 609615499 /nfs/dbraw/zinc/61/54/99/609615499.db2.gz POEILEIZFHGXGD-UHFFFAOYSA-N -1 3 368.155 3.065 20 0 FGADHM O=C(OCc1ccc(Cl)cc1-c1nn[n-]n1)c1nc(Cl)ccc1F ZINC000826465494 609615500 /nfs/dbraw/zinc/61/55/00/609615500.db2.gz POEILEIZFHGXGD-UHFFFAOYSA-N -1 3 368.155 3.065 20 0 FGADHM O=C(COC(=O)c1ccc([O-])cc1)Nc1ccc(OC(F)(F)F)cc1 ZINC000003507917 695540714 /nfs/dbraw/zinc/54/07/14/695540714.db2.gz DWYIJMLVJCISSY-UHFFFAOYSA-N -1 3 355.268 3.086 20 0 FGADHM CCc1cc2c(CSc3nnc4ccccn43)cc(=O)oc2cc1[O-] ZINC000006115130 695555111 /nfs/dbraw/zinc/55/51/11/695555111.db2.gz RPAFALRNOXNGLF-UHFFFAOYSA-N -1 3 353.403 3.396 20 0 FGADHM O=C(COC(=O)c1ccc(Cl)cc1Cl)[N-]C(=O)c1cccs1 ZINC000007170841 695564294 /nfs/dbraw/zinc/56/42/94/695564294.db2.gz HQQVEOOYTGMGMA-UHFFFAOYSA-N -1 3 358.202 3.168 20 0 FGADHM O=C(COC(=O)c1cc(Cl)c(Cl)[n-]1)N1CCc2sccc2C1 ZINC000014319256 695613032 /nfs/dbraw/zinc/61/30/32/695613032.db2.gz MNUROHNQMMQWSZ-UHFFFAOYSA-N -1 3 359.234 3.125 20 0 FGADHM C[C@H](OC(=O)c1ccc([O-])cc1)C(=O)N(C)Cc1c(F)cccc1Cl ZINC000028130679 695700845 /nfs/dbraw/zinc/70/08/45/695700845.db2.gz PPMIIZUDNFITMK-NSHDSACASA-N -1 3 365.788 3.389 20 0 FGADHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(C)c(C)c2)ccc1F ZINC000029053708 695708887 /nfs/dbraw/zinc/70/88/87/695708887.db2.gz ZREADIYTDOOQRQ-UHFFFAOYSA-N -1 3 362.426 3.159 20 0 FGADHM Cc1nc(CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)cs1 ZINC000029395651 695712496 /nfs/dbraw/zinc/71/24/96/695712496.db2.gz SHGFVGFQSFADEX-UHFFFAOYSA-N -1 3 351.280 3.279 20 0 FGADHM 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ZINC000808338797 725195355 /nfs/dbraw/zinc/19/53/55/725195355.db2.gz MPXPTZKWGHJZGW-GUYCJALGSA-N -1 3 374.487 3.211 20 0 FGADHM CNC(=O)c1ccc(CN(C(=O)c2cc([O-])ccc2Cl)C2CC2)cc1 ZINC000810055123 725285054 /nfs/dbraw/zinc/28/50/54/725285054.db2.gz WAYMEQVPTXEZKA-UHFFFAOYSA-N -1 3 358.825 3.210 20 0 FGADHM CCCN(CCNC(=O)c1cc([O-])ccc1Cl)C(=O)OC(C)(C)C ZINC000810722013 725325128 /nfs/dbraw/zinc/32/51/28/725325128.db2.gz LGBHOFIWIWWBOF-UHFFFAOYSA-N -1 3 356.850 3.423 20 0 FGADHM CC(C)(C)OC(=O)N1CC([C@H](F)C(=O)Nc2ccc(Cl)cc2[O-])C1 ZINC000810722187 725325133 /nfs/dbraw/zinc/32/51/33/725325133.db2.gz LFUVQNDKDLUGOL-ZDUSSCGKSA-N -1 3 358.797 3.189 20 0 FGADHM CCc1cccc(NC(=S)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)c1 ZINC000811712093 725377757 /nfs/dbraw/zinc/37/77/57/725377757.db2.gz HLALNDRZXXMFNO-ZDUSSCGKSA-N -1 3 373.444 3.336 20 0 FGADHM CCCC1(CNC(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)CCC1 ZINC000811894546 725384172 /nfs/dbraw/zinc/38/41/72/725384172.db2.gz UIIQNZXDDBFSQR-CYBMUJFWSA-N -1 3 363.424 3.057 20 0 FGADHM C[C@H](CC(=O)[N-]OC/C=C\Cl)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000812404430 725396030 /nfs/dbraw/zinc/39/60/30/725396030.db2.gz DCAWBMWSGQSOQZ-DMTLFAOVSA-N -1 3 360.882 3.460 20 0 FGADHM CCC/C=C\COC(=O)CS(=O)(=O)[N-]c1ccc(OC(C)C)cc1 ZINC000813911014 726921475 /nfs/dbraw/zinc/92/14/75/726921475.db2.gz GWIWNJQMRYWGQB-SREVYHEPSA-N -1 3 355.456 3.115 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)c2nonc21)c1nc(C)cs1 ZINC000814382760 726960466 /nfs/dbraw/zinc/96/04/66/726960466.db2.gz RGKWUCKPAOVVIC-VIFPVBQESA-N -1 3 372.859 3.071 20 0 FGADHM Cc1n[n-]c(C)c1S(=O)(=O)Oc1ccc(OCC2CC2)c(Cl)c1 ZINC000814404048 726962755 /nfs/dbraw/zinc/96/27/55/726962755.db2.gz RKDYPSNKRCAGER-UHFFFAOYSA-N -1 3 356.831 3.236 20 0 FGADHM Cn1cc(Br)c(COC(=O)c2cc(Cl)c(Cl)[n-]2)n1 ZINC000814439143 726966595 /nfs/dbraw/zinc/96/65/95/726966595.db2.gz FHYSBAUICOYDIO-UHFFFAOYSA-N -1 3 353.003 3.175 20 0 FGADHM COC(=O)c1cc(C(=O)O[C@@H](C)c2ccccc2Br)c[n-]1 ZINC000814530489 726978498 /nfs/dbraw/zinc/97/84/98/726978498.db2.gz AFXBYXAAEWMCNI-VIFPVBQESA-N -1 3 352.184 3.482 20 0 FGADHM Cn1cc(Br)c(C(=O)[N-]c2nnc(C3CCCCC3)s2)n1 ZINC000814605114 726986251 /nfs/dbraw/zinc/98/62/51/726986251.db2.gz XOIRHALWOPBOEY-UHFFFAOYSA-N -1 3 370.276 3.334 20 0 FGADHM Cc1cc(F)c(S(=O)(=O)[N-]Cc2c(F)cc(F)cc2F)cc1F ZINC000815076716 727032875 /nfs/dbraw/zinc/03/28/75/727032875.db2.gz LANWPZYZBJWPNV-UHFFFAOYSA-N -1 3 351.296 3.169 20 0 FGADHM COC(=O)c1cc(C(=O)Oc2cc3oc(=O)cc(C)c3cc2Cl)c[n-]1 ZINC000815912357 727106864 /nfs/dbraw/zinc/10/68/64/727106864.db2.gz JRACKDMTBBEXFH-UHFFFAOYSA-N -1 3 361.737 3.089 20 0 FGADHM CCc1ccc([O-])c(C(=O)Nc2cn3cc(Br)ncc3n2)c1 ZINC000816306994 727146028 /nfs/dbraw/zinc/14/60/28/727146028.db2.gz KUTIREYDNAOVOD-UHFFFAOYSA-N -1 3 361.199 3.012 20 0 FGADHM C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(Cc2c(F)ccc([O-])c2F)C1 ZINC000816564866 727176414 /nfs/dbraw/zinc/17/64/14/727176414.db2.gz SOQKVQNEQMJRNJ-VXGBXAGGSA-N -1 3 356.413 3.406 20 0 FGADHM Cc1sc2[n-]c([C@H](C)OC(=O)[C@@H](C)c3ccnn3C)nc(=O)c2c1C ZINC000817265503 727234110 /nfs/dbraw/zinc/23/41/10/727234110.db2.gz DKAIVSGQHUZDMX-UWVGGRQHSA-N -1 3 360.439 3.155 20 0 FGADHM COc1ccc(Br)cc1C(=O)CCC(=O)[N-]OCCC1CC1 ZINC000817429897 727251001 /nfs/dbraw/zinc/25/10/01/727251001.db2.gz LSOXMWQPFWMBBE-UHFFFAOYSA-N -1 3 370.243 3.269 20 0 FGADHM COc1cccc(S([O-])=CC(=O)OCc2cccc(OC(C)C)c2)c1 ZINC000820173296 728972199 /nfs/dbraw/zinc/97/21/99/728972199.db2.gz PMYAMLMDURAEEA-VWLOTQADSA-N -1 3 362.447 3.333 20 0 FGADHM CSCC1CCC(NC(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)CC1 ZINC000821136088 729063005 /nfs/dbraw/zinc/06/30/05/729063005.db2.gz FCUIWSOPPWBOOX-UHFFFAOYSA-N -1 3 366.433 3.458 20 0 FGADHM CC(C)(C)NC(=O)c1cccc(NC(=O)c2[n-]cnc2C(F)(F)F)c1 ZINC000822571591 729195556 /nfs/dbraw/zinc/19/55/56/729195556.db2.gz DDADNVRBYYCWBE-UHFFFAOYSA-N -1 3 354.332 3.209 20 0 FGADHM CC(C)(C)NC(=O)c1cccc(NC(=O)c2nc[n-]c2C(F)(F)F)c1 ZINC000822571591 729195560 /nfs/dbraw/zinc/19/55/60/729195560.db2.gz DDADNVRBYYCWBE-UHFFFAOYSA-N -1 3 354.332 3.209 20 0 FGADHM O=C(Nc1ccc(SC2CCCC2)cc1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823356863 729271052 /nfs/dbraw/zinc/27/10/52/729271052.db2.gz PMVYHKLBIOHOEU-UHFFFAOYSA-N -1 3 354.439 3.482 20 0 FGADHM O=C(Nc1ccc(SC2CCCC2)cc1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823356863 729271054 /nfs/dbraw/zinc/27/10/54/729271054.db2.gz PMVYHKLBIOHOEU-UHFFFAOYSA-N -1 3 354.439 3.482 20 0 FGADHM O=[S@@](Cc1csc(C2CCCC2)n1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000823615034 729292505 /nfs/dbraw/zinc/29/25/05/729292505.db2.gz YIDJHAKWFMSESA-RUZDIDTESA-N -1 3 373.507 3.430 20 0 FGADHM O=[S@@](Cc1csc(C2CCCC2)n1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000823615034 729292508 /nfs/dbraw/zinc/29/25/08/729292508.db2.gz YIDJHAKWFMSESA-RUZDIDTESA-N -1 3 373.507 3.430 20 0 FGADHM CC(C)(C)c1ccc2[nH]c(C(=O)NCc3cc(=O)[n-]c(=S)[nH]3)cc2c1 ZINC000823805503 729305873 /nfs/dbraw/zinc/30/58/73/729305873.db2.gz OMNZKWSFDZHNNG-UHFFFAOYSA-N -1 3 356.451 3.180 20 0 FGADHM C[C@]1(CCNC(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)C[C@]1(F)Cl ZINC000823902838 729312097 /nfs/dbraw/zinc/31/20/97/729312097.db2.gz CWGUXIBZLBXDQX-JKSUJKDBSA-N -1 3 358.747 3.241 20 0 FGADHM CC(C)(C)CC(=O)Nc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000824080107 729318725 /nfs/dbraw/zinc/31/87/25/729318725.db2.gz UPXCANUMZIMQIU-UHFFFAOYSA-N -1 3 359.821 3.081 20 0 FGADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)Cc2cc(Cl)ccc2Cl)n1 ZINC000824154145 729321644 /nfs/dbraw/zinc/32/16/44/729321644.db2.gz HDUUSXYAMVQJPH-UHFFFAOYSA-N -1 3 354.237 3.391 20 0 FGADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)c2ccc(SC(F)F)cc2)n1 ZINC000824154614 729322000 /nfs/dbraw/zinc/32/20/00/729322000.db2.gz QXEJEUBHBWXPBS-UHFFFAOYSA-N -1 3 353.394 3.470 20 0 FGADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H]1CCCCS1 ZINC000824255416 729327237 /nfs/dbraw/zinc/32/72/37/729327237.db2.gz IOUZZPYYZFPLEQ-MRXNPFEDSA-N -1 3 359.499 3.137 20 0 FGADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H]1CCCCS1 ZINC000824255416 729327239 /nfs/dbraw/zinc/32/72/39/729327239.db2.gz IOUZZPYYZFPLEQ-MRXNPFEDSA-N -1 3 359.499 3.137 20 0 FGADHM C[C@H]1CCN(Cc2cc3cccnc3o2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000824396690 729335990 /nfs/dbraw/zinc/33/59/90/729335990.db2.gz SLZAVFWMPYEKAO-MJVIPROJSA-N -1 3 355.360 3.105 20 0 FGADHM CCc1nc(CN[C@@H](c2cccc(-c3nnn[n-]3)c2)C(F)(F)F)cs1 ZINC000825746211 729393899 /nfs/dbraw/zinc/39/38/99/729393899.db2.gz SYCXUJPFMXRNOG-ZDUSSCGKSA-N -1 3 368.388 3.279 20 0 FGADHM CCc1nc(CN[C@@H](c2cccc(-c3nn[n-]n3)c2)C(F)(F)F)cs1 ZINC000825746211 729393902 /nfs/dbraw/zinc/39/39/02/729393902.db2.gz SYCXUJPFMXRNOG-ZDUSSCGKSA-N -1 3 368.388 3.279 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1CNc1ccccc1Br ZINC000826170924 729406256 /nfs/dbraw/zinc/40/62/56/729406256.db2.gz VLYSMLRRAFFALK-UHFFFAOYSA-N -1 3 360.215 3.250 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1CNc1ccccc1Br ZINC000826170924 729406257 /nfs/dbraw/zinc/40/62/57/729406257.db2.gz VLYSMLRRAFFALK-UHFFFAOYSA-N -1 3 360.215 3.250 20 0 FGADHM CSc1ccc(C)c(NC(=O)NCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826230466 729406366 /nfs/dbraw/zinc/40/63/66/729406366.db2.gz VMFUDUBFGICCJP-UHFFFAOYSA-N -1 3 354.439 3.219 20 0 FGADHM CSc1ccc(C)c(NC(=O)NCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826230466 729406367 /nfs/dbraw/zinc/40/63/67/729406367.db2.gz VMFUDUBFGICCJP-UHFFFAOYSA-N -1 3 354.439 3.219 20 0 FGADHM Cc1c(Cl)cnc(N[C@H]2CCOc3ccc(F)cc32)c1-c1nnn[n-]1 ZINC000826239415 729406720 /nfs/dbraw/zinc/40/67/20/729406720.db2.gz GXFYCUXSAICMQB-LBPRGKRZSA-N -1 3 360.780 3.298 20 0 FGADHM Cc1c(Cl)cnc(N[C@H]2CCOc3ccc(F)cc32)c1-c1nn[n-]n1 ZINC000826239415 729406721 /nfs/dbraw/zinc/40/67/21/729406721.db2.gz GXFYCUXSAICMQB-LBPRGKRZSA-N -1 3 360.780 3.298 20 0 FGADHM Cc1ccnc(NCc2cc(F)cc(Br)c2)c1-c1nnn[n-]1 ZINC000826314477 729407207 /nfs/dbraw/zinc/40/72/07/729407207.db2.gz YSPZZAZVRCGSRU-UHFFFAOYSA-N -1 3 363.194 3.084 20 0 FGADHM Cc1ccnc(NCc2cc(F)cc(Br)c2)c1-c1nn[n-]n1 ZINC000826314477 729407208 /nfs/dbraw/zinc/40/72/08/729407208.db2.gz YSPZZAZVRCGSRU-UHFFFAOYSA-N -1 3 363.194 3.084 20 0 FGADHM Clc1ccc(COCCNc2ccc(-c3nnn[n-]3)nc2)c(Cl)c1 ZINC000826351966 729407446 /nfs/dbraw/zinc/40/74/46/729407446.db2.gz IINBOBYFFRFIHT-UHFFFAOYSA-N -1 3 365.224 3.197 20 0 FGADHM Clc1ccc(COCCNc2ccc(-c3nn[n-]n3)nc2)c(Cl)c1 ZINC000826351966 729407447 /nfs/dbraw/zinc/40/74/47/729407447.db2.gz IINBOBYFFRFIHT-UHFFFAOYSA-N -1 3 365.224 3.197 20 0 FGADHM O=C(CSc1cccc(Cl)c1-c1nnn[n-]1)NC1CCCCCC1 ZINC000826420920 729407911 /nfs/dbraw/zinc/40/79/11/729407911.db2.gz JBEXYQJNJZVBEV-UHFFFAOYSA-N -1 3 365.890 3.451 20 0 FGADHM O=C(CSc1cccc(Cl)c1-c1nn[n-]n1)NC1CCCCCC1 ZINC000826420920 729407912 /nfs/dbraw/zinc/40/79/12/729407912.db2.gz JBEXYQJNJZVBEV-UHFFFAOYSA-N -1 3 365.890 3.451 20 0 FGADHM O=C(Nc1nnc(C2CCCCC2)s1)c1cccc(-c2nnn[n-]2)c1 ZINC000826460928 729408091 /nfs/dbraw/zinc/40/80/91/729408091.db2.gz YFFVATOHZJPLMJ-UHFFFAOYSA-N -1 3 355.427 3.018 20 0 FGADHM O=C(Nc1nnc(C2CCCCC2)s1)c1cccc(-c2nn[n-]n2)c1 ZINC000826460928 729408094 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O=C(Nc1cc(C(F)(F)F)ccc1[O-])c1ccc(N2CCCC2)nn1 ZINC000081458420 493896555 /nfs/dbraw/zinc/89/65/55/493896555.db2.gz ZKUMGVHBIKEXRF-UHFFFAOYSA-N -1 3 352.316 3.054 20 0 FGADHM O=C(Cc1ccc2ccccc2c1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000030661503 493903741 /nfs/dbraw/zinc/90/37/41/493903741.db2.gz SQMPXFRVJUDNOU-UHFFFAOYSA-N -1 3 374.440 3.073 20 0 FGADHM CC(=O)N(C)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)cc1 ZINC000060166112 493916850 /nfs/dbraw/zinc/91/68/50/493916850.db2.gz HUZGKIPLTCTHGB-UHFFFAOYSA-N -1 3 358.463 3.349 20 0 FGADHM O=S(=O)([N-]Cc1ccccc1CN1CCCC1)c1c(F)cccc1F ZINC000031075379 493922879 /nfs/dbraw/zinc/92/28/79/493922879.db2.gz FUPHCARNQHTFID-UHFFFAOYSA-N -1 3 366.433 3.039 20 0 FGADHM Cc1ccccc1CN(C)Cc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000060463739 493935807 /nfs/dbraw/zinc/93/58/07/493935807.db2.gz BOIRTLYMXBXPJC-UHFFFAOYSA-N -1 3 359.433 3.462 20 0 FGADHM CCC(=O)Nc1cccc(C(=O)Nc2n[n-]c(-c3ccccc3F)n2)c1 ZINC000076687358 493950274 /nfs/dbraw/zinc/95/02/74/493950274.db2.gz 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/nfs/dbraw/zinc/97/92/78/493979278.db2.gz MNQRKZYUOPFEHJ-UHFFFAOYSA-N -1 3 353.329 3.303 20 0 FGADHM Cc1cc(C)n(Cc2ccc(C(=O)Nc3nnc(-c4ccco4)[n-]3)cc2)n1 ZINC000061620923 493987447 /nfs/dbraw/zinc/98/74/47/493987447.db2.gz GDYOPHKSATUWFG-UHFFFAOYSA-N -1 3 362.393 3.179 20 0 FGADHM Cc1cc(C)n(Cc2ccc(C(=O)Nc3nc(-c4ccco4)n[n-]3)cc2)n1 ZINC000061620923 493987453 /nfs/dbraw/zinc/98/74/53/493987453.db2.gz GDYOPHKSATUWFG-UHFFFAOYSA-N -1 3 362.393 3.179 20 0 FGADHM Cc1cc(C)n(Cc2ccc(C(=O)Nc3n[n-]c(-c4ccco4)n3)cc2)n1 ZINC000061620923 493987457 /nfs/dbraw/zinc/98/74/57/493987457.db2.gz GDYOPHKSATUWFG-UHFFFAOYSA-N -1 3 362.393 3.179 20 0 FGADHM O=C(NCC1CCN(Cc2cccs2)CC1)c1c([O-])cc(F)cc1F ZINC000061636122 493988303 /nfs/dbraw/zinc/98/83/03/493988303.db2.gz ZSZZHEHFFVQKRA-UHFFFAOYSA-N -1 3 366.433 3.374 20 0 FGADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N1CCCCC[C@H]1c1ccco1 ZINC000076937760 493992384 /nfs/dbraw/zinc/99/23/84/493992384.db2.gz CULFJRAFSCQBCI-HNNXBMFYSA-N -1 3 353.378 3.312 20 0 FGADHM CN(Cc1cnn(C)c1)Cc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000032539731 493995791 /nfs/dbraw/zinc/99/57/91/493995791.db2.gz NETWHZHVPRPTOM-UHFFFAOYSA-N -1 3 365.462 3.017 20 0 FGADHM CN(C)C(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cc(F)cc(F)c2)c1 ZINC000032592149 493998285 /nfs/dbraw/zinc/99/82/85/493998285.db2.gz QABXMTIYRUAHCZ-UHFFFAOYSA-N -1 3 374.796 3.121 20 0 FGADHM Cc1c(C(=O)Nc2nnc(-c3ccco3)[n-]2)cnn1-c1ccccc1Cl ZINC000069701988 493999465 /nfs/dbraw/zinc/99/94/65/493999465.db2.gz TWUVYJJNZIJJJW-UHFFFAOYSA-N -1 3 368.784 3.465 20 0 FGADHM Cc1c(C(=O)Nc2nc(-c3ccco3)n[n-]2)cnn1-c1ccccc1Cl ZINC000069701988 493999469 /nfs/dbraw/zinc/99/94/69/493999469.db2.gz TWUVYJJNZIJJJW-UHFFFAOYSA-N -1 3 368.784 3.465 20 0 FGADHM Cc1c(C(=O)Nc2n[n-]c(-c3ccco3)n2)cnn1-c1ccccc1Cl ZINC000069701988 493999474 /nfs/dbraw/zinc/99/94/74/493999474.db2.gz TWUVYJJNZIJJJW-UHFFFAOYSA-N -1 3 368.784 3.465 20 0 FGADHM CCCCc1ccc(NC(=O)C[N-]S(=O)(=O)c2cccs2)cc1 ZINC000032649407 494003071 /nfs/dbraw/zinc/00/30/71/494003071.db2.gz OIZQPWHIXGIJFT-UHFFFAOYSA-N -1 3 352.481 3.008 20 0 FGADHM O=C(NCc1ccc(Cl)s1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000052530833 494036284 /nfs/dbraw/zinc/03/62/84/494036284.db2.gz LQRACBDVSBDUHF-ZDUSSCGKSA-N -1 3 364.854 3.028 20 0 FGADHM CCC1(C[N-]S(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2F)CCC1 ZINC000084043746 494045159 /nfs/dbraw/zinc/04/51/59/494045159.db2.gz PATDKSVIUDIOSZ-UHFFFAOYSA-N -1 3 362.854 3.296 20 0 FGADHM CC(C)(C)c1nsc([N-]C(=O)c2ncccc2OCC(F)(F)F)n1 ZINC000084095665 494047730 /nfs/dbraw/zinc/04/77/30/494047730.db2.gz BXLVRPLJBMDIRT-UHFFFAOYSA-N -1 3 360.361 3.424 20 0 FGADHM Cc1ccc(F)c(NC(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)c1 ZINC000063451460 494054958 /nfs/dbraw/zinc/05/49/58/494054958.db2.gz ZOQFJLSQJUAEJL-UHFFFAOYSA-N -1 3 366.396 3.159 20 0 FGADHM COc1ccccc1-c1nc(NC(=O)c2cc3c(cccc3F)[nH]2)n[n-]1 ZINC000052778948 494061215 /nfs/dbraw/zinc/06/12/15/494061215.db2.gz XSHGELOGULFWOC-UHFFFAOYSA-N -1 3 351.341 3.353 20 0 FGADHM COc1ccccc1-c1n[n-]c(NC(=O)[C@@H](C)Sc2ccccc2)n1 ZINC000052778642 494061551 /nfs/dbraw/zinc/06/15/51/494061551.db2.gz XCCMUTWTGMGEAD-GFCCVEGCSA-N -1 3 354.435 3.022 20 0 FGADHM C[C@@H]1CN(Cc2ccccc2)CCCN1Cc1nc(=O)c2sccc2[n-]1 ZINC000077371880 494068783 /nfs/dbraw/zinc/06/87/83/494068783.db2.gz DBDNCBIRWWLZFN-OAHLLOKOSA-N -1 3 368.506 3.081 20 0 FGADHM COCCN(Cc1nc(=O)c2c(-c3ccccc3)csc2[n-]1)C1CC1 ZINC000052940176 494077777 /nfs/dbraw/zinc/07/77/77/494077777.db2.gz RDAPZNLBEIUIAQ-UHFFFAOYSA-N -1 3 355.463 3.262 20 0 FGADHM C[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(F)cc2Br)C1 ZINC000037575245 494107382 /nfs/dbraw/zinc/10/73/82/494107382.db2.gz JQNXZADNLBOLEM-GXSJLCMTSA-N -1 3 350.253 3.445 20 0 FGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2ccc(C)c(C)c2)cc1OC ZINC000072005589 494114922 /nfs/dbraw/zinc/11/49/22/494114922.db2.gz CDJSTSLWITZODG-UHFFFAOYSA-N -1 3 362.451 3.326 20 0 FGADHM O=C(c1cc2ccccc2cc1[O-])N1CCC(CCN2CCOCC2)CC1 ZINC000064346789 494116020 /nfs/dbraw/zinc/11/60/20/494116020.db2.gz ZFHVSMWUKNJWLL-UHFFFAOYSA-N -1 3 368.477 3.120 20 0 FGADHM CC(C)c1nnc(CCC(=O)Nc2cc(Br)ccc2[O-])o1 ZINC000085590553 494133141 /nfs/dbraw/zinc/13/31/41/494133141.db2.gz HHHHLEGYJJSNIT-UHFFFAOYSA-N -1 3 354.204 3.232 20 0 FGADHM Cc1ccc([C@@H](C[N-]S(=O)(=O)c2cccs2)N2CCCC2)cc1 ZINC000040615511 494143806 /nfs/dbraw/zinc/14/38/06/494143806.db2.gz OFYSWCYRBTXUDD-MRXNPFEDSA-N -1 3 350.509 3.172 20 0 FGADHM O=C(Nc1nc(CN2CCCCC2)cs1)c1c[n-]c2ccccc2c1=O ZINC000053793177 494165490 /nfs/dbraw/zinc/16/54/90/494165490.db2.gz XJPRNOMLGNWJIH-UHFFFAOYSA-N -1 3 368.462 3.223 20 0 FGADHM O=C(Nc1nc(CN2CCCCC2)cs1)c1cnc2ccccc2c1[O-] ZINC000053793177 494165492 /nfs/dbraw/zinc/16/54/92/494165492.db2.gz XJPRNOMLGNWJIH-UHFFFAOYSA-N -1 3 368.462 3.223 20 0 FGADHM CCCc1ccc([C@H](NC(=O)Cc2c(C)nc(C)[n-]c2=O)C(C)C)cc1 ZINC000041614548 494171029 /nfs/dbraw/zinc/17/10/29/494171029.db2.gz MFZPYSMLEVYWAX-HXUWFJFHSA-N -1 3 355.482 3.395 20 0 FGADHM O=S(=O)([N-]CC1(O)CCCCCC1)c1cc(Cl)ccc1Cl ZINC000087089530 494171304 /nfs/dbraw/zinc/17/13/04/494171304.db2.gz MCJUCUKISSKOOF-UHFFFAOYSA-N -1 3 352.283 3.357 20 0 FGADHM Cc1ccc(C[C@@H]2CCCN(C(=O)CCc3c(C)nc(C)[n-]c3=O)C2)cc1 ZINC000065163112 494176374 /nfs/dbraw/zinc/17/63/74/494176374.db2.gz VKCLZYXEKLSWKA-IBGZPJMESA-N -1 3 367.493 3.109 20 0 FGADHM CS(=O)(=O)[N-]c1cc(-c2nc(CCc3ccccc3)no2)ccc1F ZINC000072539897 494195844 /nfs/dbraw/zinc/19/58/44/494195844.db2.gz ZCXYVAVTLVLTPZ-UHFFFAOYSA-N -1 3 361.398 3.032 20 0 FGADHM CC(=O)N1CCc2cc([N-]S(=O)(=O)c3ccc4c(c3)CCCC4)ccc21 ZINC000012068309 494201792 /nfs/dbraw/zinc/20/17/92/494201792.db2.gz PCGAOACATKDIBN-UHFFFAOYSA-N -1 3 370.474 3.275 20 0 FGADHM CO[C@H](CS(=O)(=O)[N-]c1ccc(Br)cc1Cl)C1CC1 ZINC000574157230 505707431 /nfs/dbraw/zinc/70/74/31/505707431.db2.gz YAGMPCAYMZMNRF-GFCCVEGCSA-N -1 3 368.680 3.269 20 0 FGADHM Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)c1ccc(-c2ccncc2)cc1 ZINC000072715787 494238207 /nfs/dbraw/zinc/23/82/07/494238207.db2.gz JHCSBGPWYDZZOB-GFCCVEGCSA-N -1 3 357.435 3.393 20 0 FGADHM CCCCOc1cccc(CNC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)c1 ZINC000065799774 494238971 /nfs/dbraw/zinc/23/89/71/494238971.db2.gz GMUOEXGMNGHZLV-UHFFFAOYSA-N -1 3 367.405 3.071 20 0 FGADHM CCCCOc1cccc(NC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)c1 ZINC000065819629 494242569 /nfs/dbraw/zinc/24/25/69/494242569.db2.gz BHYSGSFVMHZYHI-UHFFFAOYSA-N -1 3 353.378 3.393 20 0 FGADHM O=c1[n-]c(CN2CC[C@@H](COCc3ccccc3)C2)nc2ccsc21 ZINC000072760385 494246019 /nfs/dbraw/zinc/24/60/19/494246019.db2.gz BQVIHXGVWLXQAS-OAHLLOKOSA-N -1 3 355.463 3.436 20 0 FGADHM O=C(Nc1cc(Cl)ccc1OC[C@H]1CCCO1)c1ccc2n[n-]nc2c1 ZINC000065854796 494247122 /nfs/dbraw/zinc/24/71/22/494247122.db2.gz CUMJIBSEGMWPPO-CYBMUJFWSA-N -1 3 372.812 3.421 20 0 FGADHM O=C([N-]c1nnc(-c2ccccc2Cl)s1)c1cn2cccnc2n1 ZINC000065853011 494247171 /nfs/dbraw/zinc/24/71/71/494247171.db2.gz ZQCRHOGYJXEFBG-UHFFFAOYSA-N -1 3 356.798 3.154 20 0 FGADHM Cn1c2ccc(NC(=O)c3cc(=O)[n-]c(C4CC4)n3)cc2nc1C(C)(C)C ZINC000580215466 505706651 /nfs/dbraw/zinc/70/66/51/505706651.db2.gz XNARTQXSGQFEPQ-UHFFFAOYSA-N -1 3 365.437 3.496 20 0 FGADHM CCOc1ccc(CN2CCN(C(=O)c3cccc(C)c3[O-])CC2)cc1 ZINC000078239729 494261049 /nfs/dbraw/zinc/26/10/49/494261049.db2.gz KABLZFGKWYWMHL-UHFFFAOYSA-N -1 3 354.450 3.057 20 0 FGADHM CCOC(=O)c1sc2[n-]c([C@H](C)N(C)CC(C)C)nc(=O)c2c1C ZINC000065962633 494262137 /nfs/dbraw/zinc/26/21/37/494262137.db2.gz PAOJCSFPJAPWJP-NSHDSACASA-N -1 3 351.472 3.119 20 0 FGADHM O=C(N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1[O-])c1ccccc1 ZINC000013022966 494275947 /nfs/dbraw/zinc/27/59/47/494275947.db2.gz RWECPQUZSAQEJI-LJQANCHMSA-N -1 3 360.413 3.372 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)NCCCc2nc3c(s2)CCCC3)c1 ZINC000066143634 494279101 /nfs/dbraw/zinc/27/91/01/494279101.db2.gz GDRKZXLVKXLIRC-UHFFFAOYSA-N -1 3 373.478 3.049 20 0 FGADHM Cc1c(NC(=O)c2c[n-]nc2-c2cccc(Cl)c2)cnn1[C@@H]1CCOC1 ZINC000577355091 505711429 /nfs/dbraw/zinc/71/14/29/505711429.db2.gz JTBCIRLKUCMKMV-CQSZACIVSA-N -1 3 371.828 3.449 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)NCc2cc(Br)cs2)c1 ZINC000055286700 494323041 /nfs/dbraw/zinc/32/30/41/494323041.db2.gz KXCFGPHTBRRUPX-UHFFFAOYSA-N -1 3 369.240 3.105 20 0 FGADHM CS(=O)(=O)c1ccc(F)c([N-]C(=O)c2csc(-c3ccoc3)n2)c1 ZINC000078666027 494340435 /nfs/dbraw/zinc/34/04/35/494340435.db2.gz VAIGHMIFWOEFIF-UHFFFAOYSA-N -1 3 366.395 3.198 20 0 FGADHM CCc1oc2ccccc2c1CN(C)C(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000078763362 494357633 /nfs/dbraw/zinc/35/76/33/494357633.db2.gz MZOKVIJACNSZRQ-UHFFFAOYSA-N -1 3 367.449 3.287 20 0 FGADHM CCOC(=O)CC[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000089783026 494364072 /nfs/dbraw/zinc/36/40/72/494364072.db2.gz QQGOLDMOHFSMTH-SECBINFHSA-N -1 3 354.255 3.004 20 0 FGADHM Cc1ccc2ncc(C(=O)[O-])c(NC[C@H](c3cccs3)N(C)C)c2c1 ZINC000577377516 505716594 /nfs/dbraw/zinc/71/65/94/505716594.db2.gz MOLLUSSPRUOXFP-MRXNPFEDSA-N -1 3 355.463 3.440 20 0 FGADHM O=S(=O)([N-]CCc1c[nH]c2ccccc12)c1ccc(F)cc1Cl ZINC000078880664 494374876 /nfs/dbraw/zinc/37/48/76/494374876.db2.gz LPEPPFVGSHXAQM-UHFFFAOYSA-N -1 3 352.818 3.481 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(OC[C@@H]3CCCO3)cc2)cc1 ZINC000055631655 494376419 /nfs/dbraw/zinc/37/64/19/494376419.db2.gz XHZQZIMPSFRMCQ-KRWDZBQOSA-N -1 3 363.435 3.054 20 0 FGADHM O=S(=O)([N-]c1ccc(OC[C@@H]2CCCO2)cc1)c1ccc(F)cc1 ZINC000055631667 494377037 /nfs/dbraw/zinc/37/70/37/494377037.db2.gz OQOZKXLSINZGAB-INIZCTEOSA-N -1 3 351.399 3.184 20 0 FGADHM C[C@H](CC(=O)[O-])N(C)Cc1cccc(Br)c1OC(F)F ZINC000577389812 505718648 /nfs/dbraw/zinc/71/86/48/505718648.db2.gz VFJUWYYEHKIHFV-MRVPVSSYSA-N -1 3 352.175 3.346 20 0 FGADHM Cc1noc(C)c1[N-]C(=O)c1csc(-c2ccc3c(c2)OCCO3)n1 ZINC000066767569 494404249 /nfs/dbraw/zinc/40/42/49/494404249.db2.gz CSCAOJRJFYMTCL-UHFFFAOYSA-N -1 3 357.391 3.438 20 0 FGADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCCC3)ccc2C)cc1 ZINC000017356429 494413484 /nfs/dbraw/zinc/41/34/84/494413484.db2.gz NZOWCIGRPAUXIP-UHFFFAOYSA-N -1 3 374.462 3.040 20 0 FGADHM COC(=O)c1cc([N-]C(=O)c2cc(-c3ccccn3)no2)ccc1Cl ZINC000073692174 494414262 /nfs/dbraw/zinc/41/42/62/494414262.db2.gz MJOGAXRDAARIEH-UHFFFAOYSA-N -1 3 357.753 3.429 20 0 FGADHM COc1cccc(C(=O)NCc2ccccc2OCC(F)(F)F)c1[O-] ZINC000079245304 494423504 /nfs/dbraw/zinc/42/35/04/494423504.db2.gz LBHBRKMZCFQIMO-UHFFFAOYSA-N -1 3 355.312 3.272 20 0 FGADHM Cc1ccc([C@H]2OCCC[C@H]2C(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000079379998 494443365 /nfs/dbraw/zinc/44/33/65/494443365.db2.gz ZFDKMEGJRLMMTL-QZTJIDSGSA-N -1 3 363.421 3.282 20 0 FGADHM Cc1ccc([C@H]2OCCC[C@H]2C(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000079379998 494443367 /nfs/dbraw/zinc/44/33/67/494443367.db2.gz ZFDKMEGJRLMMTL-QZTJIDSGSA-N -1 3 363.421 3.282 20 0 FGADHM C[C@H](CCc1ccccc1F)C(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000079437603 494453787 /nfs/dbraw/zinc/45/37/87/494453787.db2.gz IIHGAYHUCCAPPP-CYBMUJFWSA-N -1 3 364.442 3.405 20 0 FGADHM O=S(=O)([N-]CCOc1ccc(C(F)(F)F)cc1)c1cccs1 ZINC000056101068 494454030 /nfs/dbraw/zinc/45/40/30/494454030.db2.gz LIGJXBOYHKEUHT-UHFFFAOYSA-N -1 3 351.371 3.124 20 0 FGADHM O=S(=O)([N-]C[C@@H]1CCN(c2ccccc2)C1)c1cccc(Cl)c1F ZINC000045743417 494456149 /nfs/dbraw/zinc/45/61/49/494456149.db2.gz OMKSADIXLUJRLF-ZDUSSCGKSA-N -1 3 368.861 3.284 20 0 FGADHM Cc1ccc(F)c(S(=O)(=O)[N-][C@H](c2ccc(F)cc2)[C@@H]2CCCO2)c1 ZINC000056137587 494459658 /nfs/dbraw/zinc/45/96/58/494459658.db2.gz DPPHHBSKWUOTRD-FUHWJXTLSA-N -1 3 367.417 3.472 20 0 FGADHM CC[C@H](Oc1ccccc1Cl)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000020499867 494474414 /nfs/dbraw/zinc/47/44/14/494474414.db2.gz OZTAJUPNRMNJLH-AWEZNQCLSA-N -1 3 357.801 3.316 20 0 FGADHM CC[C@H](Oc1ccccc1Cl)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000020499867 494474416 /nfs/dbraw/zinc/47/44/16/494474416.db2.gz OZTAJUPNRMNJLH-AWEZNQCLSA-N -1 3 357.801 3.316 20 0 FGADHM Cc1nc(C)c(CCC(=O)Nc2cccc(OC3CCCC3)c2)c(=O)[n-]1 ZINC000074131411 494486014 /nfs/dbraw/zinc/48/60/14/494486014.db2.gz KGXMYTIZDIDNLD-UHFFFAOYSA-N -1 3 355.438 3.279 20 0 FGADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N(C)C3CC3)c2)cc1 ZINC000046394944 494524439 /nfs/dbraw/zinc/52/44/39/494524439.db2.gz NCPCXDVKUPNAOT-UHFFFAOYSA-N -1 3 374.462 3.039 20 0 FGADHM CC[C@H](NC(=O)NCc1ccc([O-])c(F)c1)[C@@H](O)c1c(F)cccc1F ZINC000074374925 494526472 /nfs/dbraw/zinc/52/64/72/494526472.db2.gz ICALPBJBJRIEIY-WMLDXEAASA-N -1 3 368.355 3.121 20 0 FGADHM C[C@H](CCOCc1ccccc1)[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000580296968 505726226 /nfs/dbraw/zinc/72/62/26/505726226.db2.gz WAIUPPUWLRHIPI-GFCCVEGCSA-N -1 3 373.396 3.378 20 0 FGADHM Cc1ccc([O-])c(C(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)c1 ZINC000046645925 494547712 /nfs/dbraw/zinc/54/77/12/494547712.db2.gz PEDGAZFUHXALFT-UHFFFAOYSA-N -1 3 366.248 3.365 20 0 FGADHM COc1ccc(C(=O)NCc2ccc(OCC(F)(F)F)cc2)c([O-])c1 ZINC000023509874 494569307 /nfs/dbraw/zinc/56/93/07/494569307.db2.gz FQFGENJBLVRVJO-UHFFFAOYSA-N -1 3 355.312 3.272 20 0 FGADHM CCCCn1c(=O)[n-]nc1SC[C@@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000568587640 505729049 /nfs/dbraw/zinc/72/90/49/505729049.db2.gz AJWWQRIRLBXFPW-CYBMUJFWSA-N -1 3 354.520 3.161 20 0 FGADHM CC1CC(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)C1 ZINC000080051506 494576982 /nfs/dbraw/zinc/57/69/82/494576982.db2.gz LWDODRQDPYUKNC-UHFFFAOYSA-N -1 3 362.426 3.155 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1cc(Br)ccc1F ZINC000121083525 494586842 /nfs/dbraw/zinc/58/68/42/494586842.db2.gz YNRKCUITCWJGSV-UHFFFAOYSA-N -1 3 362.162 3.021 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cc(Br)ccc1F ZINC000121083525 494586849 /nfs/dbraw/zinc/58/68/49/494586849.db2.gz YNRKCUITCWJGSV-UHFFFAOYSA-N -1 3 362.162 3.021 20 0 FGADHM CC(C)(C)OC(=O)c1ccc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000092313820 494593559 /nfs/dbraw/zinc/59/35/59/494593559.db2.gz YIZNCSLKIUZEQC-UHFFFAOYSA-N -1 3 356.304 3.031 20 0 FGADHM CC(C)(C)OC(=O)c1ccc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)cc1 ZINC000092313820 494593567 /nfs/dbraw/zinc/59/35/67/494593567.db2.gz YIZNCSLKIUZEQC-UHFFFAOYSA-N -1 3 356.304 3.031 20 0 FGADHM CCCc1ccc(S(=O)(=O)[N-]c2ccc(-n3cncn3)c(F)c2)cc1 ZINC000067659680 494601845 /nfs/dbraw/zinc/60/18/45/494601845.db2.gz JJGXQDISVMEFFR-UHFFFAOYSA-N -1 3 360.414 3.160 20 0 FGADHM COc1cccc(C(=O)NCc2nc(-c3cccc(Cl)c3)no2)c1[O-] ZINC000115715633 494602335 /nfs/dbraw/zinc/60/23/35/494602335.db2.gz WMIPABJBDOELMT-UHFFFAOYSA-N -1 3 359.769 3.034 20 0 FGADHM COC(=O)c1cc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)c(F)cc1F ZINC000024428377 494628372 /nfs/dbraw/zinc/62/83/72/494628372.db2.gz AQRGUJGVVAZBDZ-UHFFFAOYSA-N -1 3 367.373 3.041 20 0 FGADHM COc1ccc(C[S@@](=O)c2ccc([O-])cc2)c(Br)c1OC ZINC000108085869 494645483 /nfs/dbraw/zinc/64/54/83/494645483.db2.gz SEEOGWDCMVFQHN-NRFANRHFSA-N -1 3 371.252 3.480 20 0 FGADHM CC[C@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000057123668 494648591 /nfs/dbraw/zinc/64/85/91/494648591.db2.gz DNYAPNGVHXOHEM-ZDUSSCGKSA-N -1 3 363.435 3.436 20 0 FGADHM COC[C@H](NCc1cc(Br)c([O-])c(OC)c1)c1ccco1 ZINC000080239858 494649873 /nfs/dbraw/zinc/64/98/73/494649873.db2.gz LEPSAEAORJIWMK-LBPRGKRZSA-N -1 3 356.216 3.234 20 0 FGADHM CC(C)(C)c1ccc(C(=O)Nc2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)s1 ZINC000131572353 494660039 /nfs/dbraw/zinc/66/00/39/494660039.db2.gz NDQBWZVURIMRGR-LJQANCHMSA-N -1 3 371.462 3.353 20 0 FGADHM Cc1ccc([O-])c(C(=O)Nc2ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC000126189497 494665535 /nfs/dbraw/zinc/66/55/35/494665535.db2.gz QLEQVKUKSKLDIG-GASCZTMLSA-N -1 3 368.433 3.202 20 0 FGADHM CC1(C)C[C@H](C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)c2ccccc2O1 ZINC000568602849 505734351 /nfs/dbraw/zinc/73/43/51/505734351.db2.gz CXUMPNIWJTYQPZ-INIZCTEOSA-N -1 3 363.421 3.074 20 0 FGADHM CC1(C)C[C@H](C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)c2ccccc2O1 ZINC000568602849 505734354 /nfs/dbraw/zinc/73/43/54/505734354.db2.gz CXUMPNIWJTYQPZ-INIZCTEOSA-N -1 3 363.421 3.074 20 0 FGADHM Cc1ccc(-c2nc(C[N-]S(=O)(=O)Cc3ccccc3F)co2)cc1 ZINC000074976833 494668418 /nfs/dbraw/zinc/66/84/18/494668418.db2.gz UYULPGWMKZOZEL-UHFFFAOYSA-N -1 3 360.410 3.409 20 0 FGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)Cc1cccc2ccccc21 ZINC000024881011 494674752 /nfs/dbraw/zinc/67/47/52/494674752.db2.gz WJYXPOGWFZAINT-UHFFFAOYSA-N -1 3 354.431 3.393 20 0 FGADHM C[C@@H](CC(=O)Nc1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1)c1cccc(F)c1 ZINC000115997770 494675928 /nfs/dbraw/zinc/67/59/28/494675928.db2.gz YWNTZIYEYYRPEU-FKIZINRSSA-N -1 3 369.396 3.013 20 0 FGADHM CC(C)CO[C@H](C)c1noc(CSc2n[n-]c(-c3ccccn3)n2)n1 ZINC000075076688 494682454 /nfs/dbraw/zinc/68/24/54/494682454.db2.gz RYHLNDGAIQRDIR-LLVKDONJSA-N -1 3 360.443 3.276 20 0 FGADHM CCOc1ccc(C2=CCN([C@@H](C)C(=O)[N-]c3cc(C)no3)CC2)cc1 ZINC000091810781 494686892 /nfs/dbraw/zinc/68/68/92/494686892.db2.gz ALZNHNLTABQHHO-HNNXBMFYSA-N -1 3 355.438 3.498 20 0 FGADHM CC(C)CCn1cccc1CN1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000091815305 494689451 /nfs/dbraw/zinc/68/94/51/494689451.db2.gz CCLHPQSHYYFCOL-UHFFFAOYSA-N -1 3 355.482 3.198 20 0 FGADHM CO[C@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000067928271 494697765 /nfs/dbraw/zinc/69/77/65/494697765.db2.gz DFQKDUIOHYRRDH-CQSZACIVSA-N -1 3 362.451 3.078 20 0 FGADHM CCCN(CC(F)(F)F)C(=O)[C@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC000075195726 494703956 /nfs/dbraw/zinc/70/39/56/494703956.db2.gz OVBMCAAOMIYFOW-ZDUSSCGKSA-N -1 3 372.387 3.045 20 0 FGADHM CC[C@H](C)[C@H](C)NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000057306137 494710940 /nfs/dbraw/zinc/71/09/40/494710940.db2.gz NSNUFEWIKLCAPR-RYUDHWBXSA-N -1 3 367.446 3.119 20 0 FGADHM CC(C)C[C@H](C)NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000121391847 494734744 /nfs/dbraw/zinc/73/47/44/494734744.db2.gz DRADQWIDPMKXSM-LBPRGKRZSA-N -1 3 367.446 3.119 20 0 FGADHM O=C(NC(c1cccs1)c1cccs1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000131818245 494742442 /nfs/dbraw/zinc/74/24/42/494742442.db2.gz GVJJVRMGFBNYHX-UHFFFAOYSA-N -1 3 368.439 3.213 20 0 FGADHM CC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2ccc3c(c2)COC3)c1 ZINC000068076089 494753486 /nfs/dbraw/zinc/75/34/86/494753486.db2.gz ZPGSKWYPPYKGHW-UHFFFAOYSA-N -1 3 366.826 3.129 20 0 FGADHM Cc1nc(CC(C)C)sc1C(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000068098058 494759808 /nfs/dbraw/zinc/75/98/08/494759808.db2.gz HKVMRFAGNMCEIX-UHFFFAOYSA-N -1 3 367.496 3.274 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2cc(F)c(OC)cc2F)c(C)c1C ZINC000126463363 494760201 /nfs/dbraw/zinc/76/02/01/494760201.db2.gz PGJVIDDLHLSTPM-UHFFFAOYSA-N -1 3 357.378 3.400 20 0 FGADHM Cc1ccc(F)c(S(=O)(=O)[N-][C@@H](C)c2ccccc2-n2cccn2)c1 ZINC000131874885 494761015 /nfs/dbraw/zinc/76/10/15/494761015.db2.gz PIUATXFJJZQOOW-AWEZNQCLSA-N -1 3 359.426 3.359 20 0 FGADHM Cc1cc(S(=O)(=O)[N-][C@H](CCO)c2ccccc2)c(Cl)cc1F ZINC000121449113 494761277 /nfs/dbraw/zinc/76/12/77/494761277.db2.gz KSCFWFYVSHNNOD-OAHLLOKOSA-N -1 3 357.834 3.190 20 0 FGADHM C[C@@H]1[C@H](C(=O)[O-])CCN1CCOc1ccc(Cl)cc1Br ZINC000092925448 494787253 /nfs/dbraw/zinc/78/72/53/494787253.db2.gz PUUFNOUPFVBHSQ-MWLCHTKSSA-N -1 3 362.651 3.276 20 0 FGADHM COc1ccc(C(=O)NCc2ccc(OC3CCCCC3)nc2)c([O-])c1 ZINC000116455539 494790225 /nfs/dbraw/zinc/79/02/25/494790225.db2.gz CXGTUZXIQQONOE-UHFFFAOYSA-N -1 3 356.422 3.437 20 0 FGADHM O=C(Nc1cc(Br)ccc1[O-])c1cc(-c2cccnc2)on1 ZINC000126565441 494790621 /nfs/dbraw/zinc/79/06/21/494790621.db2.gz DXNVZRAEKBDMLL-UHFFFAOYSA-N -1 3 360.167 3.457 20 0 FGADHM Cc1ccc(C(=O)NCCc2nc(Cc3ccc(Cl)cc3)no2)c([O-])c1 ZINC000131976486 494790912 /nfs/dbraw/zinc/79/09/12/494790912.db2.gz XZOAEAWUUVRUSW-UHFFFAOYSA-N -1 3 371.824 3.300 20 0 FGADHM O=C(Nc1cc(Cl)ccc1[O-])[C@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 ZINC000108821779 494792618 /nfs/dbraw/zinc/79/26/18/494792618.db2.gz KKNYZCQOMGOEFW-VIFPVBQESA-N -1 3 366.751 3.315 20 0 FGADHM Cc1nn(-c2ccccc2C)c(C)c1CN(C)C(=O)c1c([O-])cccc1O ZINC000092119869 494796221 /nfs/dbraw/zinc/79/62/21/494796221.db2.gz ICIFPKZPSCACFE-UHFFFAOYSA-N -1 3 365.433 3.481 20 0 FGADHM CC(C)C[C@H](CNC(=O)c1cc2ccccc2cc1[O-])N1CCOCC1 ZINC000026062541 494798014 /nfs/dbraw/zinc/79/80/14/494798014.db2.gz FBZRBPMDMLGELP-GOSISDBHSA-N -1 3 356.466 3.022 20 0 FGADHM O=C([N-]c1nccs1)c1ccc(S(=O)(=O)c2ccccc2)s1 ZINC000121553605 494801061 /nfs/dbraw/zinc/80/10/61/494801061.db2.gz PESXHOPVCIOAFS-UHFFFAOYSA-N -1 3 350.446 3.290 20 0 FGADHM O=S(=O)([N-]Cc1nc(C(F)(F)F)cs1)c1ccc(F)cc1Cl ZINC000121569284 494806182 /nfs/dbraw/zinc/80/61/82/494806182.db2.gz JDUJAJLPNWAIFU-UHFFFAOYSA-N -1 3 374.768 3.433 20 0 FGADHM Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)[N-]c3nc[nH]n3)cc12 ZINC000026264222 494814294 /nfs/dbraw/zinc/81/42/94/494814294.db2.gz DRYFKDDYXDLIHL-UHFFFAOYSA-N -1 3 372.841 3.478 20 0 FGADHM COCCOc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(Cl)c2)cc1 ZINC000026529553 494830173 /nfs/dbraw/zinc/83/01/73/494830173.db2.gz LBARDDRIONGBLG-UHFFFAOYSA-N -1 3 371.842 3.175 20 0 FGADHM CC(=O)NCc1ccc(C(=O)[N-]c2nc(-c3ccsc3)ns2)s1 ZINC000109110321 494833847 /nfs/dbraw/zinc/83/38/47/494833847.db2.gz ZTXZANWNPLNNJI-UHFFFAOYSA-N -1 3 364.477 3.217 20 0 FGADHM C[C@@H](NC(=O)c1cc2c(cc1[O-])CCCC2)c1ccc2c(c1)NC(=O)CO2 ZINC000109191092 494842933 /nfs/dbraw/zinc/84/29/33/494842933.db2.gz YWQNSJIJMYIJIH-GFCCVEGCSA-N -1 3 366.417 3.093 20 0 FGADHM CCC[C@H](NC(=O)c1cccc([C@]2(C)NC(=O)[N-]C2=O)c1)C1CCCCC1 ZINC000132265386 494848682 /nfs/dbraw/zinc/84/86/82/494848682.db2.gz SVLJBUVXHITBAW-UWJYYQICSA-N -1 3 371.481 3.220 20 0 FGADHM COc1ccc([O-])c(C(=O)N2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)c1 ZINC000132398843 494867667 /nfs/dbraw/zinc/86/76/67/494867667.db2.gz LWQLIQIFRINBLO-CQSZACIVSA-N -1 3 357.381 3.275 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(C(C)(C)C)s1)C(=O)N1CCCC[C@H]1C ZINC000121837464 494871770 /nfs/dbraw/zinc/87/17/70/494871770.db2.gz QJONHPYXCDQCAE-CHWSQXEVSA-N -1 3 372.556 3.113 20 0 FGADHM O=C(Nc1cnn(-c2ncccn2)c1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000132545399 494890864 /nfs/dbraw/zinc/89/08/64/494890864.db2.gz YQBGVRYPADKUIF-UHFFFAOYSA-N -1 3 371.400 3.211 20 0 FGADHM C[C@@H](Sc1n[n-]c(-c2ccccn2)n1)C(=O)N(C)Cc1cccc(F)c1 ZINC000117112480 494891715 /nfs/dbraw/zinc/89/17/15/494891715.db2.gz NULKOICYXHRFAI-GFCCVEGCSA-N -1 3 371.441 3.145 20 0 FGADHM CC(C)[C@H](Sc1n[n-]c(-c2ccccn2)n1)C(=O)NC1CCCCC1 ZINC000117112796 494892405 /nfs/dbraw/zinc/89/24/05/494892405.db2.gz YUDDYFZFGSYANH-HNNXBMFYSA-N -1 3 359.499 3.432 20 0 FGADHM O=C1[C@H](Sc2n[n-]c(-c3ccccn3)n2)CCCN1c1cccc(F)c1 ZINC000117116090 494893073 /nfs/dbraw/zinc/89/30/73/494893073.db2.gz DWNMODGNWMAMCP-OAHLLOKOSA-N -1 3 369.425 3.294 20 0 FGADHM CCC(=O)N1CC[C@H](C(=O)Nc2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000127142555 494900056 /nfs/dbraw/zinc/90/00/56/494900056.db2.gz PYXKVLXJRMRSTP-KRWDZBQOSA-N -1 3 352.434 3.180 20 0 FGADHM COc1ccc([O-])c(C(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)c1 ZINC000117203982 494900117 /nfs/dbraw/zinc/90/01/17/494900117.db2.gz LCDLKPGGHVAGHG-UHFFFAOYSA-N -1 3 357.250 3.358 20 0 FGADHM Cc1nc(S(=O)(=O)[N-][C@H](c2ccc(F)cc2F)C(C)(C)C)cn1C ZINC000127253803 494916826 /nfs/dbraw/zinc/91/68/26/494916826.db2.gz IWRKVOOOZDJIBB-OAHLLOKOSA-N -1 3 357.426 3.072 20 0 FGADHM Cc1ccc(C)c(S(=O)(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000127274788 494920323 /nfs/dbraw/zinc/92/03/23/494920323.db2.gz OEIDFDAFDOGRHM-UHFFFAOYSA-N -1 3 370.268 3.250 20 0 FGADHM Cc1cc(C(=O)Nc2nnc(-c3ccco3)[n-]2)c(C)n1-c1nccs1 ZINC000132848458 494932832 /nfs/dbraw/zinc/93/28/32/494932832.db2.gz WDFVFRCTUFYNLK-UHFFFAOYSA-N -1 3 354.395 3.181 20 0 FGADHM Cc1cc(C(=O)Nc2nc(-c3ccco3)n[n-]2)c(C)n1-c1nccs1 ZINC000132848458 494932835 /nfs/dbraw/zinc/93/28/35/494932835.db2.gz WDFVFRCTUFYNLK-UHFFFAOYSA-N -1 3 354.395 3.181 20 0 FGADHM Cc1cc(C(=O)Nc2n[n-]c(-c3ccco3)n2)c(C)n1-c1nccs1 ZINC000132848458 494932837 /nfs/dbraw/zinc/93/28/37/494932837.db2.gz WDFVFRCTUFYNLK-UHFFFAOYSA-N -1 3 354.395 3.181 20 0 FGADHM CN(C)C(=O)c1cccc(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)c1 ZINC000093910826 494934349 /nfs/dbraw/zinc/93/43/49/494934349.db2.gz CFKQOFHGRGMDFS-UHFFFAOYSA-N -1 3 354.406 3.060 20 0 FGADHM CCc1ccc([O-])c(C(=O)N2CSC[C@H]2C(=O)Nc2ccccc2C)c1 ZINC000094089875 494947283 /nfs/dbraw/zinc/94/72/83/494947283.db2.gz STHBCAIIVNNRNV-KRWDZBQOSA-N -1 3 370.474 3.417 20 0 FGADHM O=S(=O)([N-]CCNCc1ccc(-c2ccccc2)o1)c1cccs1 ZINC000122290101 494952326 /nfs/dbraw/zinc/95/23/26/494952326.db2.gz MACGVEMNECZPTP-UHFFFAOYSA-N -1 3 362.476 3.076 20 0 FGADHM Cc1cccc(C(=O)Nc2cccc(C(=O)N3CCSCC3)c2)c1[O-] ZINC000133178167 494980928 /nfs/dbraw/zinc/98/09/28/494980928.db2.gz AICMGYBGDNLEKQ-UHFFFAOYSA-N -1 3 356.447 3.142 20 0 FGADHM CC(=O)N[C@@H](CC(=O)NCc1ccc([O-])c(F)c1)c1ccc(Cl)cc1 ZINC000133213262 494985718 /nfs/dbraw/zinc/98/57/18/494985718.db2.gz MLBKVXRLTACILH-INIZCTEOSA-N -1 3 364.804 3.068 20 0 FGADHM CCOCCC1(C[N-]S(=O)(=O)c2cc(OC)ccc2Cl)CCC1 ZINC000122545633 494991920 /nfs/dbraw/zinc/99/19/20/494991920.db2.gz HDUZAGDZAGXGCK-UHFFFAOYSA-N -1 3 361.891 3.224 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H]2c2cccc(N(C)C)c2)c1 ZINC000122615163 495004038 /nfs/dbraw/zinc/00/40/38/495004038.db2.gz KBWUFHYGJXVQPS-IBGZPJMESA-N -1 3 367.449 3.394 20 0 FGADHM C[C@@H](Sc1ccc(Cl)cn1)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000127857841 495009129 /nfs/dbraw/zinc/00/91/29/495009129.db2.gz WZNSCELICZMFBD-SNVBAGLBSA-N -1 3 370.883 3.470 20 0 FGADHM CCc1n[n-]c(S(=O)(=O)[C@@H](C)c2ncc(-c3ccc(Cl)cc3)o2)n1 ZINC000133419504 495012119 /nfs/dbraw/zinc/01/21/19/495012119.db2.gz GSHFFZULIHNSNX-VIFPVBQESA-N -1 3 366.830 3.210 20 0 FGADHM CCc1nnc(S(=O)(=O)[C@@H](C)c2ncc(-c3ccc(Cl)cc3)o2)[n-]1 ZINC000133419504 495012124 /nfs/dbraw/zinc/01/21/24/495012124.db2.gz GSHFFZULIHNSNX-VIFPVBQESA-N -1 3 366.830 3.210 20 0 FGADHM Cc1ccc(-c2nc([N-]C(=O)c3csc([C@H]4CCCO4)n3)n[nH]2)cc1 ZINC000133477157 495018187 /nfs/dbraw/zinc/01/81/87/495018187.db2.gz MWOJAAPQSXLOJK-CYBMUJFWSA-N -1 3 355.423 3.340 20 0 FGADHM COCCCn1cnnc1SCc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000097007818 495019304 /nfs/dbraw/zinc/01/93/04/495019304.db2.gz HPCLTNBOOBEPKU-UHFFFAOYSA-N -1 3 371.422 3.002 20 0 FGADHM O=C([N-]c1nnc(CC2CCCCC2)s1)c1cnc(OCC2CC2)cn1 ZINC000580422947 505756402 /nfs/dbraw/zinc/75/64/02/505756402.db2.gz XQPZWPJZJDGIGV-UHFFFAOYSA-N -1 3 373.482 3.492 20 0 FGADHM COC(=O)[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)CC(C)C ZINC000097600496 495039044 /nfs/dbraw/zinc/03/90/44/495039044.db2.gz AENRYZMFEWIFAN-JTQLQIEISA-N -1 3 368.282 3.107 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1cc2c(c(Cl)c1)O[C@H](C)C2)c1nccs1 ZINC000128169512 495055476 /nfs/dbraw/zinc/05/54/76/495055476.db2.gz SNDGZISKMMZOBQ-BDAKNGLRSA-N -1 3 358.872 3.159 20 0 FGADHM Cc1noc(C)c1S(=O)(=O)[N-][C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000122951705 495057950 /nfs/dbraw/zinc/05/79/50/495057950.db2.gz OBBXJOCRLZKQHF-HNNXBMFYSA-N -1 3 362.451 3.406 20 0 FGADHM COc1cccc(C(=O)NCc2cccc(OCC(F)(F)F)c2)c1[O-] ZINC000122992726 495064508 /nfs/dbraw/zinc/06/45/08/495064508.db2.gz FRPTWVVXFHKKRN-UHFFFAOYSA-N -1 3 355.312 3.272 20 0 FGADHM COc1cc(F)c(S(=O)(=O)[N-][C@@H]2c3ccccc3C[C@@H]2C)cc1OC ZINC000111368428 495067978 /nfs/dbraw/zinc/06/79/78/495067978.db2.gz AIMHXMIVPDIJQM-VOJFVSQTSA-N -1 3 365.426 3.055 20 0 FGADHM CCO[C@H]1C[C@H](N(C)C(=O)c2cc(NC(C)=O)ccc2[O-])C1(CC)CC ZINC000123137199 495086444 /nfs/dbraw/zinc/08/64/44/495086444.db2.gz DIHBZAGBZLCVLS-ROUUACIJSA-N -1 3 362.470 3.406 20 0 FGADHM CCN(CC)C(=O)CN(C)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000101630594 495087611 /nfs/dbraw/zinc/08/76/11/495087611.db2.gz PQLXKSRBIWODDZ-UHFFFAOYSA-N -1 3 368.477 3.118 20 0 FGADHM Cc1nc2ccc(NC(=O)[C@H]3CCCN3C(=O)c3ccccc3[O-])cc2o1 ZINC000111558376 495087650 /nfs/dbraw/zinc/08/76/50/495087650.db2.gz OFVCULJREQOQEY-MRXNPFEDSA-N -1 3 365.389 3.085 20 0 FGADHM CCc1cccc(C)c1NC(=O)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000101735707 495094449 /nfs/dbraw/zinc/09/44/49/495094449.db2.gz JHZIKCJGKVCBAF-UHFFFAOYSA-N -1 3 367.449 3.253 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-]CCc1c[nH]c2c1cccc2C ZINC000123257520 495104537 /nfs/dbraw/zinc/10/45/37/495104537.db2.gz PLUAYDJWGXDUBJ-UHFFFAOYSA-N -1 3 350.465 3.067 20 0 FGADHM Cn1ncc2c1ncc(C(=O)N1CCCCC[C@@H]1c1ccccc1)c2[O-] ZINC000119163785 495108105 /nfs/dbraw/zinc/10/81/05/495108105.db2.gz ZKSPFSGBDUUSBJ-QGZVFWFLSA-N -1 3 350.422 3.431 20 0 FGADHM CC(C)c1cc(C(=O)N2CCS(=O)(=O)[C@H](C)[C@H]2C)c([O-])c(C(C)C)c1 ZINC000128530237 495111695 /nfs/dbraw/zinc/11/16/95/495111695.db2.gz XJYMLLFAEUVQFR-ZIAGYGMSSA-N -1 3 367.511 3.287 20 0 FGADHM O=c1[n-]nc(SCCCc2ccc(Cl)cc2)n1C[C@H]1CCCO1 ZINC000119186726 495113493 /nfs/dbraw/zinc/11/34/93/495113493.db2.gz KZRFBOYVEBACHS-CQSZACIVSA-N -1 3 353.875 3.129 20 0 FGADHM C[C@@H](NC(=O)Cc1csc(NC(=O)c2cccc([O-])c2)n1)C(C)(C)C ZINC000134245598 495126548 /nfs/dbraw/zinc/12/65/48/495126548.db2.gz NYSYXVNHXQYXMJ-LLVKDONJSA-N -1 3 361.467 3.194 20 0 FGADHM C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)c2cnc3c(cnn3C)c2[O-])C1 ZINC000119291431 495135434 /nfs/dbraw/zinc/13/54/34/495135434.db2.gz FTFNVVYCRHPTOD-BZNIZROVSA-N -1 3 354.385 3.036 20 0 FGADHM C[C@H]1CC[C@H](C)N1C(=O)Cc1csc(NC(=O)c2cccc([O-])c2)n1 ZINC000119297530 495137000 /nfs/dbraw/zinc/13/70/00/495137000.db2.gz ILCKPCXKDAAHQK-RYUDHWBXSA-N -1 3 359.451 3.043 20 0 FGADHM CC1(C)Cc2ccc(C(=O)N3CCO[C@H](c4cccs4)C3)c([O-])c2O1 ZINC000134350392 495138400 /nfs/dbraw/zinc/13/84/00/495138400.db2.gz MCNRXNHRXKDHBF-AWEZNQCLSA-N -1 3 359.447 3.381 20 0 FGADHM CC[C@H]1CN(C(=O)c2cnc3c(cnn3C)c2[O-])CC[C@H]1c1ccccc1 ZINC000119306831 495138432 /nfs/dbraw/zinc/13/84/32/495138432.db2.gz NNIQRUOGJZOSSI-GOEBONIOSA-N -1 3 364.449 3.330 20 0 FGADHM CC1(C(=O)N2CCC[C@@H](CC(=O)[O-])C2)CCN(Cc2ccccc2)CC1 ZINC000577609975 505763541 /nfs/dbraw/zinc/76/35/41/505763541.db2.gz WDRLZPBGAKXZQV-SFHVURJKSA-N -1 3 358.482 3.002 20 0 FGADHM Cc1ccc(C(=O)N[C@@H](c2nc(-c3cccnc3)no2)C(C)C)c([O-])c1 ZINC000102726603 495157044 /nfs/dbraw/zinc/15/70/44/495157044.db2.gz WVSXDCKXQVCDSV-MRXNPFEDSA-N -1 3 352.394 3.273 20 0 FGADHM O=C(Nc1ccc([O-])cc1F)C1(C(=O)Nc2ccc(O)cc2F)CCC1 ZINC000119397475 495158650 /nfs/dbraw/zinc/15/86/50/495158650.db2.gz ULLPSGXMIKSCMR-UHFFFAOYSA-N -1 3 362.332 3.124 20 0 FGADHM CCCS(=O)(=O)[N-]c1ccc(C(=O)Nc2cccc(F)c2F)cc1 ZINC000102752600 495159549 /nfs/dbraw/zinc/15/95/49/495159549.db2.gz ZEBDDCUFCIECIR-UHFFFAOYSA-N -1 3 354.378 3.369 20 0 FGADHM Cc1ccc(CN2CCC([N-]S(=O)(=O)c3cccs3)CC2)c(C)c1 ZINC000123626826 495162296 /nfs/dbraw/zinc/16/22/96/495162296.db2.gz CBHKMGHRZSEWPZ-UHFFFAOYSA-N -1 3 364.536 3.308 20 0 FGADHM Cc1nn(-c2ccccc2)c(C)c1CC(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000102820598 495163992 /nfs/dbraw/zinc/16/39/92/495163992.db2.gz QPMADBSNHJGCMQ-UHFFFAOYSA-N -1 3 362.393 3.048 20 0 FGADHM Cc1nn(-c2ccccc2)c(C)c1CC(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000102820598 495163994 /nfs/dbraw/zinc/16/39/94/495163994.db2.gz QPMADBSNHJGCMQ-UHFFFAOYSA-N -1 3 362.393 3.048 20 0 FGADHM Cc1nn(-c2ccccc2)c(C)c1CC(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000102820598 495163998 /nfs/dbraw/zinc/16/39/98/495163998.db2.gz QPMADBSNHJGCMQ-UHFFFAOYSA-N -1 3 362.393 3.048 20 0 FGADHM C[C@H](CSCc1ccccc1)C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000119610577 495201693 /nfs/dbraw/zinc/20/16/93/495201693.db2.gz CVZTXZAHACYZMO-CQSZACIVSA-N -1 3 367.478 3.299 20 0 FGADHM C[C@H](CSCc1ccccc1)C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000119610577 495201695 /nfs/dbraw/zinc/20/16/95/495201695.db2.gz CVZTXZAHACYZMO-CQSZACIVSA-N -1 3 367.478 3.299 20 0 FGADHM COc1ccc(S(=O)(=O)[N-][C@@H](C2CCCC2)C(F)(F)F)cc1OC ZINC000129147947 495203371 /nfs/dbraw/zinc/20/33/71/495203371.db2.gz JGCJXBCRGOQRBQ-AWEZNQCLSA-N -1 3 367.389 3.103 20 0 FGADHM CC(C)(C)n1cnnc1SCc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000103260912 495209756 /nfs/dbraw/zinc/20/97/56/495209756.db2.gz QBLTZLLSCZIWTM-UHFFFAOYSA-N -1 3 355.423 3.308 20 0 FGADHM C[C@@H]1C[C@H](C)CN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1 ZINC000112625406 495212860 /nfs/dbraw/zinc/21/28/60/495212860.db2.gz LAYQLANRKGIDAQ-PHIMTYICSA-N -1 3 363.255 3.409 20 0 FGADHM Cc1nc(C2CCCC2)sc1C(=O)Nc1cc(-c2nccn2C)[n-]n1 ZINC000119781017 495239970 /nfs/dbraw/zinc/23/99/70/495239970.db2.gz CEVXWTHPFJALAE-UHFFFAOYSA-N -1 3 356.455 3.485 20 0 FGADHM Cc1nc(C2CCCC2)sc1C(=O)Nc1cc(-c2nccn2C)n[n-]1 ZINC000119781017 495239973 /nfs/dbraw/zinc/23/99/73/495239973.db2.gz CEVXWTHPFJALAE-UHFFFAOYSA-N -1 3 356.455 3.485 20 0 FGADHM CC[C@@H](CC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)c1ccccc1 ZINC000103520341 495245875 /nfs/dbraw/zinc/24/58/75/495245875.db2.gz GEKUGSUCNFOFFG-KRWDZBQOSA-N -1 3 366.461 3.261 20 0 FGADHM COCCOCC(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000129498413 495254297 /nfs/dbraw/zinc/25/42/97/495254297.db2.gz PKLOWBQOKJHEDW-UHFFFAOYSA-N -1 3 358.419 3.270 20 0 FGADHM COc1ccc(C(F)(F)C(=O)[N-][C@H](c2nnc(C)[nH]2)c2ccccc2)cc1 ZINC000129524637 495257317 /nfs/dbraw/zinc/25/73/17/495257317.db2.gz UFSQQASMMASGIN-INIZCTEOSA-N -1 3 372.375 3.119 20 0 FGADHM Cc1ccc(NC(=O)c2c[n-]nc2-c2ccc(Cl)cc2)cc1C(N)=O ZINC000104392734 495281937 /nfs/dbraw/zinc/28/19/37/495281937.db2.gz NRKWPWHSTVNIJX-UHFFFAOYSA-N -1 3 354.797 3.390 20 0 FGADHM O=C(Nc1cccc([O-])c1F)[C@H]1CCCN1c1ncnc2sccc21 ZINC000129738046 495287763 /nfs/dbraw/zinc/28/77/63/495287763.db2.gz JZRCWATWYISUMK-GFCCVEGCSA-N -1 3 358.398 3.144 20 0 FGADHM O=S(=O)(Cc1ccccc1C(F)(F)F)[N-][C@@H]1COc2ccccc21 ZINC000113284575 495293090 /nfs/dbraw/zinc/29/30/90/495293090.db2.gz UZPFOQSBCKRTPO-CQSZACIVSA-N -1 3 357.353 3.259 20 0 FGADHM Cc1ccc2nc([N-]C(=O)c3cc(S(C)(=O)=O)cs3)sc2c1 ZINC000124496175 495297490 /nfs/dbraw/zinc/29/74/90/495297490.db2.gz ZBOPFGJNEQUUDD-UHFFFAOYSA-N -1 3 352.462 3.322 20 0 FGADHM CC[C@@H](NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)c1cc(F)ccc1F ZINC000124532308 495302656 /nfs/dbraw/zinc/30/26/56/495302656.db2.gz GAWOWMFZBBDXTE-OAHLLOKOSA-N -1 3 359.332 3.121 20 0 FGADHM O=C(Nc1cc(Cl)ccc1[O-])[C@@H](c1ccccc1)N1CCC(O)CC1 ZINC000104861867 495311342 /nfs/dbraw/zinc/31/13/42/495311342.db2.gz HIVFUQHVVZVJFC-GOSISDBHSA-N -1 3 360.841 3.182 20 0 FGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@H](C)C[C@H]3CCCO3)s2)cs1 ZINC000120213627 495328724 /nfs/dbraw/zinc/32/87/24/495328724.db2.gz XIBBZPHWBCHZBE-ZYHUDNBSSA-N -1 3 372.537 3.416 20 0 FGADHM Cc1cccc(C(=O)N2CCN(Cc3ccc(Cl)s3)CC2)c1[O-] ZINC000120227243 495331878 /nfs/dbraw/zinc/33/18/78/495331878.db2.gz KPMDSRAYVVMOMH-UHFFFAOYSA-N -1 3 350.871 3.374 20 0 FGADHM CC(C)c1cc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)nn1C(C)(C)C ZINC000130094379 495340951 /nfs/dbraw/zinc/34/09/51/495340951.db2.gz AQHYVJMCASICHB-UHFFFAOYSA-N -1 3 353.430 3.194 20 0 FGADHM CC(C)c1cc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)nn1C(C)(C)C ZINC000130094379 495340954 /nfs/dbraw/zinc/34/09/54/495340954.db2.gz AQHYVJMCASICHB-UHFFFAOYSA-N -1 3 353.430 3.194 20 0 FGADHM COc1cc(Cl)c(S(=O)(=O)[N-]Cc2scnc2C)cc1Cl ZINC000105621049 495377061 /nfs/dbraw/zinc/37/70/61/495377061.db2.gz XGRYTDZUWNXXEL-UHFFFAOYSA-N -1 3 367.279 3.245 20 0 FGADHM CCCn1c(=O)[n-]nc1SCc1nc(-c2ccc(C)c(OC)c2)no1 ZINC000136583979 495388373 /nfs/dbraw/zinc/38/83/73/495388373.db2.gz LNQCICACKSFGPR-UHFFFAOYSA-N -1 3 361.427 3.053 20 0 FGADHM O=C(c1ccccc1[O-])N1CCC[C@@H]1C(=O)N1CCC[C@@]2(CC=CCC2)C1 ZINC000114557851 495392150 /nfs/dbraw/zinc/39/21/50/495392150.db2.gz YIWBDXDQHLUFJD-GCJKJVERSA-N -1 3 368.477 3.346 20 0 FGADHM O=C(CCCc1cc(F)ccc1F)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000125256194 495414303 /nfs/dbraw/zinc/41/43/03/495414303.db2.gz NYZIWJFTXIPSNL-UHFFFAOYSA-N -1 3 357.364 3.030 20 0 FGADHM O=C(CCCc1cc(F)ccc1F)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000125256194 495414309 /nfs/dbraw/zinc/41/43/09/495414309.db2.gz NYZIWJFTXIPSNL-UHFFFAOYSA-N -1 3 357.364 3.030 20 0 FGADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1ccc(F)c(C(F)(F)F)c1 ZINC000136983806 495414952 /nfs/dbraw/zinc/41/49/52/495414952.db2.gz GXIKWFXAFHVBFM-UHFFFAOYSA-N -1 3 365.290 3.201 20 0 FGADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1ccc(F)c(C(F)(F)F)c1 ZINC000136983806 495414954 /nfs/dbraw/zinc/41/49/54/495414954.db2.gz GXIKWFXAFHVBFM-UHFFFAOYSA-N -1 3 365.290 3.201 20 0 FGADHM Cc1sc2[n-]c(CN(C)CC(C)(C)O)nc(=O)c2c1-c1ccc(C)cc1 ZINC000114728536 495418024 /nfs/dbraw/zinc/41/80/24/495418024.db2.gz HKQZIQHEZXWMFR-UHFFFAOYSA-N -1 3 371.506 3.471 20 0 FGADHM CC(C)[C@H]1CCCN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])CC1 ZINC000114800331 495427551 /nfs/dbraw/zinc/42/75/51/495427551.db2.gz JCBIMEVTTRLKKA-WMZOPIPTSA-N -1 3 358.482 3.282 20 0 FGADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(F)ccc2F)cc1Cl ZINC000137193353 495429394 /nfs/dbraw/zinc/42/93/94/495429394.db2.gz WYXPVJJRSVZJCW-UHFFFAOYSA-N -1 3 361.753 3.206 20 0 FGADHM O=S(=O)([N-]Cc1ccc2c(n1)CCCC2)c1ccc(F)cc1Cl ZINC000574476281 505781818 /nfs/dbraw/zinc/78/18/18/505781818.db2.gz OYWOLYKPUZVWHS-UHFFFAOYSA-N -1 3 354.834 3.231 20 0 FGADHM CCc1nnsc1C(=O)[N-]c1scc(CC(C)C)c1C(=O)OC ZINC000106222501 495436587 /nfs/dbraw/zinc/43/65/87/495436587.db2.gz FELSBOXSCRGNNU-UHFFFAOYSA-N -1 3 353.469 3.399 20 0 FGADHM O=S(=O)([N-]C[C@@H](CO)c1ccccc1)c1cc(Cl)ccc1Cl ZINC000125446039 495446040 /nfs/dbraw/zinc/44/60/40/495446040.db2.gz PJXOYDULUSHTGU-LBPRGKRZSA-N -1 3 360.262 3.048 20 0 FGADHM CCc1cccc2c(CC(=O)Nc3ccc(Cc4nnn[n-]4)cc3)c[nH]c21 ZINC000120799483 495460065 /nfs/dbraw/zinc/46/00/65/495460065.db2.gz HPWUVSZSOOXOHR-UHFFFAOYSA-N -1 3 360.421 3.015 20 0 FGADHM CCc1cccc2c(CC(=O)Nc3ccc(Cc4nn[n-]n4)cc3)c[nH]c21 ZINC000120799483 495460068 /nfs/dbraw/zinc/46/00/68/495460068.db2.gz HPWUVSZSOOXOHR-UHFFFAOYSA-N -1 3 360.421 3.015 20 0 FGADHM CN(C)[C@H](C[N-]S(=O)(=O)c1c(F)cccc1Cl)c1ccccc1 ZINC000130963875 495472420 /nfs/dbraw/zinc/47/24/20/495472420.db2.gz YKKZGESTEFVKQW-OAHLLOKOSA-N -1 3 356.850 3.060 20 0 FGADHM CN(C)[C@@H](C[N-]S(=O)(=O)c1c(F)cccc1Cl)c1ccccc1 ZINC000130963694 495472438 /nfs/dbraw/zinc/47/24/38/495472438.db2.gz YKKZGESTEFVKQW-HNNXBMFYSA-N -1 3 356.850 3.060 20 0 FGADHM CN(CCc1ccc(Br)cc1)C(=O)c1ccc(O)cc1[O-] ZINC000106666739 495483679 /nfs/dbraw/zinc/48/36/79/495483679.db2.gz HNAJUZIBOZZKPR-UHFFFAOYSA-N -1 3 350.212 3.175 20 0 FGADHM O=S(=O)([N-]c1ccc2nc([C@H]3CCCO3)[nH]c2c1)c1cccc(F)c1 ZINC000141509121 495507301 /nfs/dbraw/zinc/50/73/01/495507301.db2.gz MQTDIMKBOCRJOH-MRXNPFEDSA-N -1 3 361.398 3.354 20 0 FGADHM COC(=O)C1CCC([N-]S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000106892903 495507324 /nfs/dbraw/zinc/50/73/24/495507324.db2.gz AFXLMSIHGNGEDV-UHFFFAOYSA-N -1 3 366.266 3.004 20 0 FGADHM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-]Cc1cccc2ccccc21 ZINC000131304107 495518587 /nfs/dbraw/zinc/51/85/87/495518587.db2.gz NNWQWVPMZODNLQ-UHFFFAOYSA-N -1 3 373.405 3.244 20 0 FGADHM O=S(=O)(CC1CCCCC1)[N-]Cc1nc(-c2cccc(Cl)c2)no1 ZINC000115584239 495519774 /nfs/dbraw/zinc/51/97/74/495519774.db2.gz QEDBAVFGXCKQBV-UHFFFAOYSA-N -1 3 369.874 3.390 20 0 FGADHM COCCOc1ccc(C(=O)Nc2cc(Br)ccc2[O-])cc1 ZINC000176191608 495538513 /nfs/dbraw/zinc/53/85/13/495538513.db2.gz QMEQAEILUAJSIY-UHFFFAOYSA-N -1 3 366.211 3.432 20 0 FGADHM Cc1cccc2c(=O)c(C(=O)Nc3cnn(Cc4ccncc4)c3)c[n-]c12 ZINC000185365521 495549484 /nfs/dbraw/zinc/54/94/84/495549484.db2.gz NVZAXIONSHVYJW-UHFFFAOYSA-N -1 3 359.389 3.141 20 0 FGADHM O=C(N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1)c1cccc([O-])c1 ZINC000182414484 495554996 /nfs/dbraw/zinc/55/49/96/495554996.db2.gz JXLSUECRDGMUFB-HXUWFJFHSA-N -1 3 360.413 3.372 20 0 FGADHM Cc1cc(C(=O)Nc2ccc(F)c([N-]S(C)(=O)=O)c2)cc(C)c1F ZINC000179377128 495567512 /nfs/dbraw/zinc/56/75/12/495567512.db2.gz LZTGAGJLOCTPNO-UHFFFAOYSA-N -1 3 354.378 3.205 20 0 FGADHM COc1ccc(OC)c([C@H]2CCCN2C(=O)/C=C/c2cncc([O-])c2)c1 ZINC000179398983 495577130 /nfs/dbraw/zinc/57/71/30/495577130.db2.gz KZCURPBKZCUFKF-KRZKXXONSA-N -1 3 354.406 3.181 20 0 FGADHM O=C(NC1CC1)[C@@H]1CCCN1C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000179436040 495590435 /nfs/dbraw/zinc/59/04/35/495590435.db2.gz IISBSCXTFKVADW-SFHVURJKSA-N -1 3 366.417 3.068 20 0 FGADHM Cc1cccc2cc(C(=O)Nc3cccc([C@]4(C)NC(=O)[N-]C4=O)c3)oc21 ZINC000149658452 495598288 /nfs/dbraw/zinc/59/82/88/495598288.db2.gz SEXNCMKLUPLYGO-FQEVSTJZSA-N -1 3 363.373 3.048 20 0 FGADHM CCCC1(c2noc(CS(=O)(=O)[N-]C3CCC(C)CC3)n2)CCC1 ZINC000568849732 505792204 /nfs/dbraw/zinc/79/22/04/505792204.db2.gz VKKYGVAKOXHZIO-UHFFFAOYSA-N -1 3 355.504 3.290 20 0 FGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCC(C)(C)c1cccc(F)c1 ZINC000176349205 495614772 /nfs/dbraw/zinc/61/47/72/495614772.db2.gz UIAHWGIDNOHIPF-UHFFFAOYSA-N -1 3 359.445 3.223 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(NCCC[C@@H]3CCCC[C@H]3O)nc2)n1 ZINC000154480638 495628722 /nfs/dbraw/zinc/62/87/22/495628722.db2.gz HMJWFMKHKIBLNX-WMLDXEAASA-N -1 3 356.470 3.138 20 0 FGADHM CCN(C(=O)C(=O)[N-]c1scc(C2CC2)c1C(=O)OC)[C@H](C)C(C)C ZINC000176389256 495632015 /nfs/dbraw/zinc/63/20/15/495632015.db2.gz YVHPSXKHFIFMER-LLVKDONJSA-N -1 3 366.483 3.244 20 0 FGADHM O=S(=O)(Cc1c(F)cccc1F)[N-][C@@H](c1ccccc1)[C@H]1CCCO1 ZINC000179541774 495634538 /nfs/dbraw/zinc/63/45/38/495634538.db2.gz ITJNDCPQWHAXIW-MSOLQXFVSA-N -1 3 367.417 3.305 20 0 FGADHM Cc1coc(-c2cc([N-]S(=O)(=O)C[C@@H]3CCCCO3)ccc2C)n1 ZINC000150805415 495639834 /nfs/dbraw/zinc/63/98/34/495639834.db2.gz WNIQVLHTDXWWHB-HNNXBMFYSA-N -1 3 350.440 3.269 20 0 FGADHM COCc1nc2cc(NC(=O)c3[n-]nc4c3cccc4OC)ccc2o1 ZINC000580602954 505794641 /nfs/dbraw/zinc/79/46/41/505794641.db2.gz RKEHKCKSCNOEBF-UHFFFAOYSA-N -1 3 352.350 3.111 20 0 FGADHM COCc1nc2cc(NC(=O)c3n[n-]c4c3cccc4OC)ccc2o1 ZINC000580602954 505794642 /nfs/dbraw/zinc/79/46/42/505794642.db2.gz RKEHKCKSCNOEBF-UHFFFAOYSA-N -1 3 352.350 3.111 20 0 FGADHM Cc1ccc(-c2nsc([N-]C(=O)c3cc(OC(F)F)n(C)n3)n2)s1 ZINC000185641393 495657842 /nfs/dbraw/zinc/65/78/42/495657842.db2.gz TZOIYMDINLBSJU-UHFFFAOYSA-N -1 3 371.394 3.162 20 0 FGADHM CC(C)OC1CCN([C@@H](C(=O)[O-])c2cccc(Br)c2)CC1 ZINC000568871284 505797380 /nfs/dbraw/zinc/79/73/80/505797380.db2.gz DVNVHWLOIQGPAD-OAHLLOKOSA-N -1 3 356.260 3.464 20 0 FGADHM COc1ccccc1O[C@@H](C)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000173780375 495690542 /nfs/dbraw/zinc/69/05/42/495690542.db2.gz GRJASNACSOOZRB-JTQLQIEISA-N -1 3 361.872 3.156 20 0 FGADHM Cc1ccccc1C1(C(=O)Nc2ccc(F)c([N-]S(C)(=O)=O)c2)CC1 ZINC000171016909 495691097 /nfs/dbraw/zinc/69/10/97/495691097.db2.gz FPYHOTXRMBJBQO-UHFFFAOYSA-N -1 3 362.426 3.176 20 0 FGADHM Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)c2cccc3nn[n-]c32)C1 ZINC000182758546 495691513 /nfs/dbraw/zinc/69/15/13/495691513.db2.gz PXYSZZPGYOULSV-CYBMUJFWSA-N -1 3 369.856 3.176 20 0 FGADHM Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)c2cccc3[n-]nnc32)C1 ZINC000182758546 495691518 /nfs/dbraw/zinc/69/15/18/495691518.db2.gz PXYSZZPGYOULSV-CYBMUJFWSA-N -1 3 369.856 3.176 20 0 FGADHM Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)c2cccc3n[n-]nc32)C1 ZINC000182758546 495691527 /nfs/dbraw/zinc/69/15/27/495691527.db2.gz PXYSZZPGYOULSV-CYBMUJFWSA-N -1 3 369.856 3.176 20 0 FGADHM CCn1c2ccccc2nc1[C@H]1CCCN1C(=O)c1cccc2[n-]nnc21 ZINC000182756881 495691880 /nfs/dbraw/zinc/69/18/80/495691880.db2.gz IFRYGHAWNRYZAN-QGZVFWFLSA-N -1 3 360.421 3.305 20 0 FGADHM CCn1c2ccccc2nc1[C@H]1CCCN1C(=O)c1cccc2nn[n-]c21 ZINC000182756881 495691882 /nfs/dbraw/zinc/69/18/82/495691882.db2.gz IFRYGHAWNRYZAN-QGZVFWFLSA-N -1 3 360.421 3.305 20 0 FGADHM CCn1c2ccccc2nc1[C@H]1CCCN1C(=O)c1cccc2n[n-]nc21 ZINC000182756881 495691887 /nfs/dbraw/zinc/69/18/87/495691887.db2.gz IFRYGHAWNRYZAN-QGZVFWFLSA-N -1 3 360.421 3.305 20 0 FGADHM CCc1cnc(C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)s1 ZINC000173813561 495703479 /nfs/dbraw/zinc/70/34/79/495703479.db2.gz VNYJQPXAWZPQKR-UHFFFAOYSA-N -1 3 351.280 3.491 20 0 FGADHM O=C(CCN1CCN(c2ccccc2)CC1)Nc1cccc(Cl)c1[O-] ZINC000179722251 495704362 /nfs/dbraw/zinc/70/43/62/495704362.db2.gz LUCOBPMPOALCNG-UHFFFAOYSA-N -1 3 359.857 3.196 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(NCc3ccn(C4CCCC4)n3)nc2)n1 ZINC000154735283 495711642 /nfs/dbraw/zinc/71/16/42/495711642.db2.gz NHZFIWRAPAVQJV-UHFFFAOYSA-N -1 3 364.453 3.318 20 0 FGADHM Cc1noc(C)c1S(=O)(=O)[N-]Cc1cc(Cl)ccc1OC(F)F ZINC000173855045 495720508 /nfs/dbraw/zinc/72/05/08/495720508.db2.gz GXBLLUJZHBMAGI-UHFFFAOYSA-N -1 3 366.773 3.025 20 0 FGADHM Cc1oc(-c2ccsc2)nc1CC(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000171109630 495727647 /nfs/dbraw/zinc/72/76/47/495727647.db2.gz WFABUKXVKLEPOZ-UHFFFAOYSA-N -1 3 355.379 3.271 20 0 FGADHM Cc1oc(-c2ccsc2)nc1CC(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000171109630 495727654 /nfs/dbraw/zinc/72/76/54/495727654.db2.gz WFABUKXVKLEPOZ-UHFFFAOYSA-N -1 3 355.379 3.271 20 0 FGADHM Cc1oc(-c2ccsc2)nc1CC(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000171109630 495727658 /nfs/dbraw/zinc/72/76/58/495727658.db2.gz WFABUKXVKLEPOZ-UHFFFAOYSA-N -1 3 355.379 3.271 20 0 FGADHM C[C@H](NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)c1ccc(-c2cccnc2)cc1 ZINC000176658908 495737175 /nfs/dbraw/zinc/73/71/75/495737175.db2.gz AIRBDBXDKVAIPH-ZDUSSCGKSA-N -1 3 371.396 3.123 20 0 FGADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000179802749 495739204 /nfs/dbraw/zinc/73/92/04/495739204.db2.gz GBMOEUJBIHVYLN-ZWKOTPCHSA-N -1 3 366.417 3.068 20 0 FGADHM COc1ccc(C(=O)[N-]c2nnc(C34CC5CC(CC(C5)C3)C4)s2)nn1 ZINC000151119997 495744036 /nfs/dbraw/zinc/74/40/36/495744036.db2.gz ZQNIRQPXQBBYAG-UHFFFAOYSA-N -1 3 371.466 3.057 20 0 FGADHM CC(C)(C)OC(=O)CCCCC[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000173931091 495751299 /nfs/dbraw/zinc/75/12/99/495751299.db2.gz JKFOEKXFIRCYKB-UHFFFAOYSA-N -1 3 363.426 3.145 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)NCCCNc3cccc(F)c3)c[n-]c12 ZINC000182916177 495756623 /nfs/dbraw/zinc/75/66/23/495756623.db2.gz CAKQUWASBMSDCC-UHFFFAOYSA-N -1 3 371.387 3.347 20 0 FGADHM Cc1ccc(NC(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)c(C)n1 ZINC000176725394 495763282 /nfs/dbraw/zinc/76/32/82/495763282.db2.gz QUHRUQBNQCNESX-UHFFFAOYSA-N -1 3 368.437 3.287 20 0 FGADHM CCS(=O)(=O)c1ccc(CCC(=O)N2CCCc3cccc([O-])c32)cc1 ZINC000182941471 495766756 /nfs/dbraw/zinc/76/67/56/495766756.db2.gz NJNZKBOOBPRQSG-UHFFFAOYSA-N -1 3 373.474 3.098 20 0 FGADHM COc1cccc(C(=O)N2CCO[C@H](c3ccc(F)c(Cl)c3)C2)c1[O-] ZINC000171207513 495770380 /nfs/dbraw/zinc/77/03/80/495770380.db2.gz FRAMOXLJEHNIPD-INIZCTEOSA-N -1 3 365.788 3.407 20 0 FGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)Cc2c[nH]c3ccccc23)c1 ZINC000173975527 495771796 /nfs/dbraw/zinc/77/17/96/495771796.db2.gz HYJVYYDWGZVTTJ-UHFFFAOYSA-N -1 3 357.435 3.029 20 0 FGADHM CC[C@H](C)c1cc(C(=O)Nc2cc(C)ccc2[N-]S(C)(=O)=O)on1 ZINC000173981662 495774358 /nfs/dbraw/zinc/77/43/58/495774358.db2.gz RALHLNBMVOBVMH-NSHDSACASA-N -1 3 351.428 3.120 20 0 FGADHM C[C@H]1CCC[C@@H](OCC(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)C1 ZINC000151239195 495781289 /nfs/dbraw/zinc/78/12/89/495781289.db2.gz WIEHNZRESOOSQZ-DOTOQJQBSA-N -1 3 374.481 3.165 20 0 FGADHM O=C(Cc1cccc(Cl)c1)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000151248025 495783701 /nfs/dbraw/zinc/78/37/01/495783701.db2.gz JIDUKDQFLPVUNA-UHFFFAOYSA-N -1 3 372.852 3.465 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)NC[C@H](C)Oc3ccccc3F)c[n-]c12 ZINC000154963555 495786474 /nfs/dbraw/zinc/78/64/74/495786474.db2.gz JUUPOEDONIGNSC-LBPRGKRZSA-N -1 3 372.371 3.312 20 0 FGADHM CC(C)(C)OC(=O)[C@H]1CCN(Cc2cc([O-])ccc2Br)C1 ZINC000179963625 495802989 /nfs/dbraw/zinc/80/29/89/495802989.db2.gz NECBEOVRHWWDES-NSHDSACASA-N -1 3 356.260 3.318 20 0 FGADHM Cc1cccc([O-])c1NC(=O)Cc1ccccc1I ZINC000183056176 495815700 /nfs/dbraw/zinc/81/57/00/495815700.db2.gz JDCNMNPNVLKAIX-UHFFFAOYSA-N -1 3 367.186 3.486 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N(C)CCOc3ccccc3F)c[n-]c12 ZINC000155055235 495819219 /nfs/dbraw/zinc/81/92/19/495819219.db2.gz XNKICJOKWKISPM-UHFFFAOYSA-N -1 3 372.371 3.266 20 0 FGADHM CCCCCN(CC(N)=O)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000183088199 495829537 /nfs/dbraw/zinc/82/95/37/495829537.db2.gz GUOBFJLAXYRLKZ-UHFFFAOYSA-N -1 3 354.450 3.101 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)NCCCOC3CCCCC3)c[n-]c12 ZINC000155098301 495835199 /nfs/dbraw/zinc/83/51/99/495835199.db2.gz YGSFIAOFZJLYCQ-UHFFFAOYSA-N -1 3 360.429 3.445 20 0 FGADHM Cc1ccc(C)c([C@H]2CN(C(=O)c3cccc4[n-]nnc43)[C@@H](C)CO2)c1 ZINC000180077128 495848008 /nfs/dbraw/zinc/84/80/08/495848008.db2.gz BVVIQQOKKPPKHG-KBXCAEBGSA-N -1 3 350.422 3.177 20 0 FGADHM Cc1ccc(C)c([C@H]2CN(C(=O)c3cccc4nn[n-]c43)[C@@H](C)CO2)c1 ZINC000180077128 495848011 /nfs/dbraw/zinc/84/80/11/495848011.db2.gz BVVIQQOKKPPKHG-KBXCAEBGSA-N -1 3 350.422 3.177 20 0 FGADHM Cc1ccc(C)c([C@H]2CN(C(=O)c3cccc4n[n-]nc43)[C@@H](C)CO2)c1 ZINC000180077128 495848016 /nfs/dbraw/zinc/84/80/16/495848016.db2.gz BVVIQQOKKPPKHG-KBXCAEBGSA-N -1 3 350.422 3.177 20 0 FGADHM CC(C)n1cc(NC(=O)NCc2ccc([O-])c(Br)c2)cn1 ZINC000151477907 495852174 /nfs/dbraw/zinc/85/21/74/495852174.db2.gz KYIJCYCATMLGHT-UHFFFAOYSA-N -1 3 353.220 3.254 20 0 FGADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N3CCC(C)(C)C3)cs2)c1 ZINC000180090138 495852954 /nfs/dbraw/zinc/85/29/54/495852954.db2.gz NNSARTSUEFOIGB-UHFFFAOYSA-N -1 3 373.478 3.210 20 0 FGADHM CN(C)Cc1cccc(C(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000151519266 495865182 /nfs/dbraw/zinc/86/51/82/495865182.db2.gz MPRRPYGCZRBCBA-UHFFFAOYSA-N -1 3 363.255 3.146 20 0 FGADHM O=C(Nc1nnc(-c2ccccn2)[n-]1)c1cc(Oc2ccccc2)ccn1 ZINC000174243168 495878883 /nfs/dbraw/zinc/87/88/83/495878883.db2.gz MRSFUOKIBAOTNT-UHFFFAOYSA-N -1 3 358.361 3.306 20 0 FGADHM O=C(Nc1nc(-c2ccccn2)n[n-]1)c1cc(Oc2ccccc2)ccn1 ZINC000174243168 495878890 /nfs/dbraw/zinc/87/88/90/495878890.db2.gz MRSFUOKIBAOTNT-UHFFFAOYSA-N -1 3 358.361 3.306 20 0 FGADHM O=S(=O)([N-]c1ccc2nc(C3CCC3)[nH]c2c1)c1ccc2c(c1)OCO2 ZINC000180159565 495885743 /nfs/dbraw/zinc/88/57/43/495885743.db2.gz ZGDQSYLPJIIKBX-UHFFFAOYSA-N -1 3 371.418 3.360 20 0 FGADHM CC(C)n1cnc(S(=O)(=O)[N-][C@@H]2CCSc3ccc(F)cc32)c1 ZINC000151591130 495888364 /nfs/dbraw/zinc/88/83/64/495888364.db2.gz SKSVKRNAUQYQPY-CYBMUJFWSA-N -1 3 355.460 3.119 20 0 FGADHM O=C(c1cccc2[n-]nnc21)N1CCC(Oc2ccccc2Cl)CC1 ZINC000180189995 495898299 /nfs/dbraw/zinc/89/82/99/495898299.db2.gz KIXKLKXTTSHSQI-UHFFFAOYSA-N -1 3 356.813 3.295 20 0 FGADHM O=C(c1cccc2nn[n-]c21)N1CCC(Oc2ccccc2Cl)CC1 ZINC000180189995 495898305 /nfs/dbraw/zinc/89/83/05/495898305.db2.gz KIXKLKXTTSHSQI-UHFFFAOYSA-N -1 3 356.813 3.295 20 0 FGADHM O=C(c1cccc2n[n-]nc21)N1CCC(Oc2ccccc2Cl)CC1 ZINC000180189995 495898309 /nfs/dbraw/zinc/89/83/09/495898309.db2.gz KIXKLKXTTSHSQI-UHFFFAOYSA-N -1 3 356.813 3.295 20 0 FGADHM Cc1ccccc1[C@H]1CN(C(=O)c2c[n-]c3ccccc3c2=O)[C@H](C)CO1 ZINC000174346318 495920948 /nfs/dbraw/zinc/92/09/48/495920948.db2.gz YUODRZREWNHLEO-FOIQADDNSA-N -1 3 362.429 3.439 20 0 FGADHM Cc1sc2ncc(C(=O)N3CC[C@H](C)c4cccc([O-])c43)c(=O)n2c1C ZINC000186274459 495923750 /nfs/dbraw/zinc/92/37/50/495923750.db2.gz PBISNJVBIAXHLB-JTQLQIEISA-N -1 3 369.446 3.232 20 0 FGADHM Cc1ccccc1[C@@H](CC(=O)N1CC[C@@H](C)c2cccc([O-])c21)NC(N)=O ZINC000186279452 495925829 /nfs/dbraw/zinc/92/58/29/495925829.db2.gz AYUVIRPRRKUJAL-RHSMWYFYSA-N -1 3 367.449 3.341 20 0 FGADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)Nc3nccs3)cs2)c1 ZINC000183328532 495933348 /nfs/dbraw/zinc/93/33/48/495933348.db2.gz OEOPGPGMFYXDEP-UHFFFAOYSA-N -1 3 374.447 3.047 20 0 FGADHM CC(C)c1cnc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])s1 ZINC000174391914 495939475 /nfs/dbraw/zinc/93/94/75/495939475.db2.gz ZSVQCGXBXWQFJQ-ZDUSSCGKSA-N -1 3 359.451 3.215 20 0 FGADHM O=C(N[C@@H](CN1CCCC1)c1ccccc1)c1cc(F)c(F)c([O-])c1F ZINC000183366360 495949893 /nfs/dbraw/zinc/94/98/93/495949893.db2.gz CMGRWELQHQJDTI-HNNXBMFYSA-N -1 3 364.367 3.376 20 0 FGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@H]3CCCOCC3)s2)cs1 ZINC000183383058 495956435 /nfs/dbraw/zinc/95/64/35/495956435.db2.gz BIRUQGFUAVIZMS-NSHDSACASA-N -1 3 358.510 3.027 20 0 FGADHM CCc1ccc([O-])c(C(=O)N[C@@H](c2nccn2C)c2cccc(F)c2)c1 ZINC000180361705 495966430 /nfs/dbraw/zinc/96/64/30/495966430.db2.gz ZPGUXVANOPEOBD-GOSISDBHSA-N -1 3 353.397 3.347 20 0 FGADHM O=C(c1ccc2c(c1[O-])CCCC2)N1CC[C@H](OCc2ccncc2)C1 ZINC000186406685 495986473 /nfs/dbraw/zinc/98/64/73/495986473.db2.gz ZQZIHZWNMRAYLT-KRWDZBQOSA-N -1 3 352.434 3.097 20 0 FGADHM CN(Cc1cn(C)nc1C(F)(F)F)C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000183447579 495987526 /nfs/dbraw/zinc/98/75/26/495987526.db2.gz GLIXKJGEMICLRA-UHFFFAOYSA-N -1 3 367.371 3.296 20 0 FGADHM O=C(Nc1cccc(C(=O)N2CCCc3cccc([O-])c32)c1)NC1CC1 ZINC000155555098 495993370 /nfs/dbraw/zinc/99/33/70/495993370.db2.gz NCQUQHBVKADWMF-UHFFFAOYSA-N -1 3 351.406 3.269 20 0 FGADHM O=C(Nc1cc(Cl)ccc1OC[C@@H]1CCCO1)c1cccc2nn[n-]c21 ZINC000183473818 495999876 /nfs/dbraw/zinc/99/98/76/495999876.db2.gz QYRPWTVPKRBDBJ-LBPRGKRZSA-N -1 3 372.812 3.421 20 0 FGADHM O=C(Nc1cc(Cl)ccc1OC[C@@H]1CCCO1)c1cccc2[n-]nnc21 ZINC000183473818 495999884 /nfs/dbraw/zinc/99/98/84/495999884.db2.gz QYRPWTVPKRBDBJ-LBPRGKRZSA-N -1 3 372.812 3.421 20 0 FGADHM O=C(Nc1cc(Cl)ccc1OC[C@@H]1CCCO1)c1cccc2n[n-]nc21 ZINC000183473818 495999891 /nfs/dbraw/zinc/99/98/91/495999891.db2.gz QYRPWTVPKRBDBJ-LBPRGKRZSA-N -1 3 372.812 3.421 20 0 FGADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)NCC(C)(C)C)cs2)c1 ZINC000183491373 496006720 /nfs/dbraw/zinc/00/67/20/496006720.db2.gz GHHIRGVBOFUBBK-UHFFFAOYSA-N -1 3 361.467 3.114 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N3CCCC[C@@H]3[C@@H]3CCC[C@@H]3O)c[n-]c12 ZINC000568958993 505817966 /nfs/dbraw/zinc/81/79/66/505817966.db2.gz YOCMTBJRNXAESE-QGTPRVQTSA-N -1 3 372.440 3.131 20 0 FGADHM O=C(CCCc1ccc2c(c1)CC(=O)N2)N1CCCc2cccc([O-])c21 ZINC000155629931 496018503 /nfs/dbraw/zinc/01/85/03/496018503.db2.gz WUDBDXHMCDXMFU-UHFFFAOYSA-N -1 3 350.418 3.189 20 0 FGADHM Cn1c(CCCNC(=O)Cc2ccc([O-])cc2Cl)nc2ccccc21 ZINC000152038026 496029671 /nfs/dbraw/zinc/02/96/71/496029671.db2.gz YOHUGVQQBOEMQG-UHFFFAOYSA-N -1 3 357.841 3.224 20 0 FGADHM CC(C)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)s1)c1nnc2ccccn21 ZINC000155709971 496042321 /nfs/dbraw/zinc/04/23/21/496042321.db2.gz CGCBNMMIXWNWKV-CYBMUJFWSA-N -1 3 370.887 3.120 20 0 FGADHM COCc1cccc(S(=O)(=O)[N-]c2c(F)cccc2N2CCCC2)c1 ZINC000171812571 496046853 /nfs/dbraw/zinc/04/68/53/496046853.db2.gz LCBPIFKSNZWSGE-UHFFFAOYSA-N -1 3 364.442 3.373 20 0 FGADHM Cc1ccsc1[C@H](CO)[N-]S(=O)(=O)Cc1ccc(F)c(Cl)c1 ZINC000155721402 496047462 /nfs/dbraw/zinc/04/74/62/496047462.db2.gz ISMJYVOGSBNMBJ-ZDUSSCGKSA-N -1 3 363.863 3.002 20 0 FGADHM CCOc1cc(C(=O)NCCN2CCc3ccccc3C2)cc(Cl)c1[O-] ZINC000186565389 496047688 /nfs/dbraw/zinc/04/76/88/496047688.db2.gz UQSQOIWJMOCDEJ-UHFFFAOYSA-N -1 3 374.868 3.232 20 0 FGADHM C[C@@H](NC(=O)Cc1csc(NC(=O)c2cccc([O-])c2)n1)C1CCCC1 ZINC000177409698 496051475 /nfs/dbraw/zinc/05/14/75/496051475.db2.gz JALLSXADTHTXFJ-GFCCVEGCSA-N -1 3 373.478 3.338 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N(Cc3ccncc3)C3CC3)c[n-]c12 ZINC000155766647 496060802 /nfs/dbraw/zinc/06/08/02/496060802.db2.gz VFJBIKXVANZLOV-UHFFFAOYSA-N -1 3 351.381 3.175 20 0 FGADHM Cc1csc([N-]C(=O)c2nccnc2C(=O)Nc2ccc(Cl)cc2)n1 ZINC000174687506 496061565 /nfs/dbraw/zinc/06/15/65/496061565.db2.gz MVTALSLWZZUSGV-UHFFFAOYSA-N -1 3 373.825 3.400 20 0 FGADHM O=S(=O)([N-][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1cccc(Cl)c1Cl ZINC000155796441 496070976 /nfs/dbraw/zinc/07/09/76/496070976.db2.gz VHZLUSBKMWRMON-FZZIBODNSA-N -1 3 362.278 3.229 20 0 FGADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)N1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1 ZINC000577936924 505822233 /nfs/dbraw/zinc/82/22/33/505822233.db2.gz FFBBFPKKILHBRG-LZMALXGLSA-N -1 3 366.465 3.060 20 0 FGADHM CCC[C@@H](NC(=O)c1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1)c1ccccc1 ZINC000177499941 496087719 /nfs/dbraw/zinc/08/77/19/496087719.db2.gz VAGUJIKRKOYRRN-DYESRHJHSA-N -1 3 365.433 3.012 20 0 FGADHM CCC[C@@H](NC(=O)c1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1)c1ccccc1 ZINC000177499977 496087818 /nfs/dbraw/zinc/08/78/18/496087818.db2.gz VAGUJIKRKOYRRN-UTKZUKDTSA-N -1 3 365.433 3.012 20 0 FGADHM C[C@@H](C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)c1nccs1 ZINC000186681353 496105137 /nfs/dbraw/zinc/10/51/37/496105137.db2.gz JSMBXLCMLYZIMC-QMMMGPOBSA-N -1 3 368.377 3.383 20 0 FGADHM Cc1cc(=O)[n-]c([C@@H](C)Sc2nc3ccccc3c(=O)n2C2CC2)n1 ZINC000155913330 496105151 /nfs/dbraw/zinc/10/51/51/496105151.db2.gz MDKCNASMBYYQOA-LLVKDONJSA-N -1 3 354.435 3.389 20 0 FGADHM C[C@@H](C[N-]S(=O)(=O)c1ccc(Br)s1)c1nccs1 ZINC000186688927 496109396 /nfs/dbraw/zinc/10/93/96/496109396.db2.gz DIOYGEHSKCGQPY-ZETCQYMHSA-N -1 3 367.315 3.049 20 0 FGADHM C[C@H](C[N-]S(=O)(=O)c1ccccc1C(F)(F)F)c1nccs1 ZINC000186694120 496110091 /nfs/dbraw/zinc/11/00/91/496110091.db2.gz LVSVXBNXGPMOJR-SECBINFHSA-N -1 3 350.387 3.244 20 0 FGADHM O=S(=O)(CC1CCCCC1)[N-]C1(c2noc(C3CC3)n2)CCCC1 ZINC000177583524 496119969 /nfs/dbraw/zinc/11/99/69/496119969.db2.gz IMTHHVZJMPDOOX-UHFFFAOYSA-N -1 3 353.488 3.216 20 0 FGADHM Cc1ccc(F)c(S(=O)(=O)[N-][C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000180745541 496127476 /nfs/dbraw/zinc/12/74/76/496127476.db2.gz JITADGFNWSCHSH-NVXWUHKLSA-N -1 3 371.380 3.221 20 0 FGADHM Cc1ccc(F)c(S(=O)(=O)[N-][C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000180745562 496127518 /nfs/dbraw/zinc/12/75/18/496127518.db2.gz JITADGFNWSCHSH-DOTOQJQBSA-N -1 3 371.380 3.221 20 0 FGADHM COc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C)CC(=O)c2cccs2)c1 ZINC000152372450 496130413 /nfs/dbraw/zinc/13/04/13/496130413.db2.gz FFVNLPDNWDMBSE-JTQLQIEISA-N -1 3 373.883 3.350 20 0 FGADHM CCOC(=O)c1ccsc1[N-]C(=O)C(=O)N1CCc2ccccc2[C@@H]1C ZINC000174846304 496130788 /nfs/dbraw/zinc/13/07/88/496130788.db2.gz HMGIHXGUEFDBAB-LBPRGKRZSA-N -1 3 372.446 3.009 20 0 FGADHM CC(C)Oc1ccc(CN2CCN(C(=O)c3cccc([O-])c3)CC2)cc1 ZINC000177638962 496141666 /nfs/dbraw/zinc/14/16/66/496141666.db2.gz OXZGIFWLZBZIJT-UHFFFAOYSA-N -1 3 354.450 3.137 20 0 FGADHM C[C@@]1(c2ccc(C(=O)Nc3cccc4ccccc43)cc2)NC(=O)[N-]C1=O ZINC000177646986 496145298 /nfs/dbraw/zinc/14/52/98/496145298.db2.gz NZHPDLYKSZXCDL-NRFANRHFSA-N -1 3 359.385 3.147 20 0 FGADHM COc1cc(C(=O)Nc2ccnn2Cc2ccc(F)cc2)cc(OC)c1[O-] ZINC000186778128 496146277 /nfs/dbraw/zinc/14/62/77/496146277.db2.gz MGFGUDWWGQFGBL-UHFFFAOYSA-N -1 3 371.368 3.046 20 0 FGADHM CC(C)c1cccc(N(C)C(=O)c2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)c1 ZINC000177653013 496147789 /nfs/dbraw/zinc/14/77/89/496147789.db2.gz GFNIWCBPFUODLM-NRFANRHFSA-N -1 3 365.433 3.141 20 0 FGADHM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1cc(C(F)(F)F)c[nH]c1=O ZINC000152499522 496169325 /nfs/dbraw/zinc/16/93/25/496169325.db2.gz JOOJHIYTBQFAFX-UHFFFAOYSA-N -1 3 366.748 3.156 20 0 FGADHM Cc1nn(C)c(C)c1-c1cc(C(=O)Nc2cc(Cl)cc(C)c2[O-])n[nH]1 ZINC000174959764 496183062 /nfs/dbraw/zinc/18/30/62/496183062.db2.gz VAVGGQMPJFKBQE-UHFFFAOYSA-N -1 3 359.817 3.347 20 0 FGADHM CC(C)Cn1cnc(S(=O)(=O)[N-][C@H]2CCSc3c(F)cccc32)c1 ZINC000174972999 496189029 /nfs/dbraw/zinc/18/90/29/496189029.db2.gz PDQZWOSSWLFHKG-AWEZNQCLSA-N -1 3 369.487 3.194 20 0 FGADHM COc1ccc(-c2nc(CS(=O)(=O)c3cccc([O-])c3)cs2)cc1 ZINC000183984975 496189157 /nfs/dbraw/zinc/18/91/57/496189157.db2.gz GJULZKRHBZHXCM-UHFFFAOYSA-N -1 3 361.444 3.498 20 0 FGADHM C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)S(=O)(=O)c1cccc([O-])c1 ZINC000183993852 496191004 /nfs/dbraw/zinc/19/10/04/496191004.db2.gz AQHXEDJWCSXYKB-NWDGAFQWSA-N -1 3 367.854 3.085 20 0 FGADHM Cc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1ccccc1OC(F)(F)F)CO2 ZINC000152591814 496196633 /nfs/dbraw/zinc/19/66/33/496196633.db2.gz ICAYYAIWTSTGTE-LBPRGKRZSA-N -1 3 373.352 3.306 20 0 FGADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCOC(C)(C)C2)sc1Br ZINC000156261670 496200802 /nfs/dbraw/zinc/20/08/02/496200802.db2.gz IMHFFLAUKOBEJW-SECBINFHSA-N -1 3 368.318 3.055 20 0 FGADHM CCOC(=O)c1cc(NC(=O)[C@H](C)Oc2cccc(Cl)c2Cl)n[n-]1 ZINC000180925315 496202708 /nfs/dbraw/zinc/20/27/08/496202708.db2.gz VEAPOVYUCRORLT-QMMMGPOBSA-N -1 3 372.208 3.299 20 0 FGADHM CCOC(=O)c1cc(NC(=O)[C@H](C)Oc2cccc(Cl)c2Cl)[n-]n1 ZINC000180925315 496202711 /nfs/dbraw/zinc/20/27/11/496202711.db2.gz VEAPOVYUCRORLT-QMMMGPOBSA-N -1 3 372.208 3.299 20 0 FGADHM COc1cc(C(=O)N(C)Cc2ccc(Br)o2)cc(OC)c1[O-] ZINC000161604850 496206177 /nfs/dbraw/zinc/20/61/77/496206177.db2.gz YLSNECGTTPAQKT-UHFFFAOYSA-N -1 3 370.199 3.037 20 0 FGADHM COc1ccc(Cl)cc1NC(=O)CC[S@@](=O)c1cccc([O-])c1 ZINC000184028686 496209453 /nfs/dbraw/zinc/20/94/53/496209453.db2.gz OXNLTFNLHAJYJG-HSZRJFAPSA-N -1 3 353.827 3.191 20 0 FGADHM CC(C)CC[C@H](NC(=O)c1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1)C(C)(C)C ZINC000177861912 496228419 /nfs/dbraw/zinc/22/84/19/496228419.db2.gz WBVRAHHZOTWHJS-KKSFZXQISA-N -1 3 373.497 3.322 20 0 FGADHM COc1cc(=NC(=O)[C@H](C)Oc2ccc(Cl)c3ccccc23)[n-]n1C ZINC000577974818 505831549 /nfs/dbraw/zinc/83/15/49/505831549.db2.gz MVIFVERKDMYDGI-NSHDSACASA-N -1 3 359.813 3.063 20 0 FGADHM CCOC(=O)c1sc([C@H](C)[N-]S(=O)(=O)CCC(C)(C)C)nc1C ZINC000152761328 496249155 /nfs/dbraw/zinc/24/91/55/496249155.db2.gz DKJFWKRIRNBDBV-NSHDSACASA-N -1 3 362.517 3.045 20 0 FGADHM Cc1cc(C)c2[n-]cc(C(=O)N(C)Cc3nccn3C(F)F)c(=O)c2c1 ZINC000161937960 496266981 /nfs/dbraw/zinc/26/69/81/496266981.db2.gz GLSAYXKXZGIWIV-UHFFFAOYSA-N -1 3 360.364 3.421 20 0 FGADHM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)Cc2ccc(C)c(F)c2)o1 ZINC000184168649 496268340 /nfs/dbraw/zinc/26/83/40/496268340.db2.gz HOXFFMFYTQYZTO-MRXNPFEDSA-N -1 3 355.431 3.097 20 0 FGADHM O=C(CCOc1ccccc1)NCc1ccc([O-])c(Br)c1 ZINC000156523499 496269263 /nfs/dbraw/zinc/26/92/63/496269263.db2.gz ZJPPOBXYHGWJMH-UHFFFAOYSA-N -1 3 350.212 3.240 20 0 FGADHM O=C(CCn1cnc2ccccc21)NCc1ccc([O-])c(Br)c1 ZINC000156545911 496274871 /nfs/dbraw/zinc/27/48/71/496274871.db2.gz HJHITJPJDYHTSC-UHFFFAOYSA-N -1 3 374.238 3.211 20 0 FGADHM CC[C@@H]1CCCC[C@@H]1OCC(=O)Nc1cc(C)ccc1[N-]S(C)(=O)=O ZINC000184184638 496276037 /nfs/dbraw/zinc/27/60/37/496276037.db2.gz ZRCVBHHWKLGVPW-PBHICJAKSA-N -1 3 368.499 3.290 20 0 FGADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N[C@@H]1C=CCCC1 ZINC000184182711 496276152 /nfs/dbraw/zinc/27/61/52/496276152.db2.gz LPFQYJIYTMOQDV-UYAOXDASSA-N -1 3 364.445 3.478 20 0 FGADHM Cc1cccc(-c2cncc(C(=O)Nc3ccc(-c4nnn[n-]4)cc3)c2)c1 ZINC000156552481 496277752 /nfs/dbraw/zinc/27/77/52/496277752.db2.gz KIBDGFBIJZZPAT-UHFFFAOYSA-N -1 3 356.389 3.489 20 0 FGADHM Cc1cccc(-c2cncc(C(=O)Nc3ccc(-c4nn[n-]n4)cc3)c2)c1 ZINC000156552481 496277756 /nfs/dbraw/zinc/27/77/56/496277756.db2.gz KIBDGFBIJZZPAT-UHFFFAOYSA-N -1 3 356.389 3.489 20 0 FGADHM C[C@@H](CNC(=O)NCc1ccc([O-])c(F)c1)Oc1cccc(Cl)c1 ZINC000175188142 496283729 /nfs/dbraw/zinc/28/37/29/496283729.db2.gz CWCQHHRIGSGBFV-NSHDSACASA-N -1 3 352.793 3.451 20 0 FGADHM Cc1nc(C)c(S(=O)(=O)[N-][C@H](C)c2cn(C(C)(C)C)nc2C)s1 ZINC000152963550 496309841 /nfs/dbraw/zinc/30/98/41/496309841.db2.gz RMDOJTNSQQKYSA-SNVBAGLBSA-N -1 3 356.517 3.059 20 0 FGADHM Cc1nn(C(C)(C)C)cc1[C@H](C)[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000152991879 496317736 /nfs/dbraw/zinc/31/77/36/496317736.db2.gz GERLLZUDWGWUQC-NSHDSACASA-N -1 3 357.426 3.264 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)c1cnc(-c2ccccc2)nc1)c1nc(C)cs1 ZINC000187160015 496318101 /nfs/dbraw/zinc/31/81/01/496318101.db2.gz UHHVXXXXNAFZRW-HNNXBMFYSA-N -1 3 374.491 3.338 20 0 FGADHM COc1ccc(-n2nnc(C(=O)[N-]c3c(F)cc(F)cc3F)c2C)cc1 ZINC000175297247 496328504 /nfs/dbraw/zinc/32/85/04/496328504.db2.gz WMWUQFCLVSAPAB-UHFFFAOYSA-N -1 3 362.311 3.254 20 0 FGADHM C[C@@H](C(=O)NCCCNC(=O)c1cccc([O-])c1)c1cc2ccccc2o1 ZINC000178178957 496358111 /nfs/dbraw/zinc/35/81/11/496358111.db2.gz RBHCTQLPCGPALI-CQSZACIVSA-N -1 3 366.417 3.178 20 0 FGADHM CN(CCCOc1ccc(F)cc1)C(=O)NCc1ccc([O-])c(F)c1 ZINC000172625712 496367714 /nfs/dbraw/zinc/36/77/14/496367714.db2.gz GQOWSJWDSZWLCF-UHFFFAOYSA-N -1 3 350.365 3.281 20 0 FGADHM Cc1cc(C(=O)[N-]c2cc(F)c(F)cc2I)on1 ZINC000175410428 496379840 /nfs/dbraw/zinc/37/98/40/496379840.db2.gz RGMLYMODJQNJJZ-UHFFFAOYSA-N -1 3 364.089 3.118 20 0 FGADHM C[C@@H](CCC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)c1ccccc1 ZINC000162611869 496382450 /nfs/dbraw/zinc/38/24/50/496382450.db2.gz DGNDQTJTLJRVRP-KRWDZBQOSA-N -1 3 366.461 3.261 20 0 FGADHM CC(C)COCCCNC(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000187312186 496388862 /nfs/dbraw/zinc/38/88/62/496388862.db2.gz UDZXCCZQAQIRLX-UHFFFAOYSA-N -1 3 355.434 3.416 20 0 FGADHM COC(=O)c1sc([N-]C(=O)c2ncoc2-c2ccc(C)cc2)nc1C ZINC000172696495 496390602 /nfs/dbraw/zinc/39/06/02/496390602.db2.gz UPFIKNVTFBSACN-UHFFFAOYSA-N -1 3 357.391 3.454 20 0 FGADHM Cc1nc(C)c(CCC(=O)N2[C@@H](C)C[C@H](c3ccccc3)[C@@H]2C)c(=O)[n-]1 ZINC000153239803 496393361 /nfs/dbraw/zinc/39/33/61/496393361.db2.gz DUGFVTXUYRLPSK-RFUYNDQBSA-N -1 3 353.466 3.112 20 0 FGADHM Cc1ncc(C(=O)NCc2ccc([O-])c(Br)c2)c(C(C)C)n1 ZINC000178298977 496403428 /nfs/dbraw/zinc/40/34/28/496403428.db2.gz JGFRDXNGRLYNHU-UHFFFAOYSA-N -1 3 364.243 3.307 20 0 FGADHM COc1ccc(CCC(=O)[N-]OCCC(F)(F)F)cc1Br ZINC000162908252 496431622 /nfs/dbraw/zinc/43/16/22/496431622.db2.gz CLPNBZCUNOQLKI-UHFFFAOYSA-N -1 3 370.165 3.391 20 0 FGADHM COc1ccc(-c2csc([N-]c3ncnc4nn(C)cc43)n2)cc1OC ZINC000163092165 496462834 /nfs/dbraw/zinc/46/28/34/496462834.db2.gz AOJLHZVGDBMTEG-UHFFFAOYSA-N -1 3 368.422 3.248 20 0 FGADHM CNC(=O)c1sc2[n-]c(Cc3ccc(Cl)cc3C)nc(=O)c2c1C ZINC000184611580 496463451 /nfs/dbraw/zinc/46/34/51/496463451.db2.gz KEEDHELGOCONIE-UHFFFAOYSA-N -1 3 361.854 3.205 20 0 FGADHM Cn1cc2c(n1)ncnc2[N-]c1nc(-c2ccc3c(c2)OCCO3)cs1 ZINC000163099499 496464095 /nfs/dbraw/zinc/46/40/95/496464095.db2.gz LBGSAHCOTXADIB-UHFFFAOYSA-N -1 3 366.406 3.002 20 0 FGADHM COc1cc2c(cc1CNCC[C@@H](Cc1ccccc1)C(=O)[O-])O[C@H](C)C2 ZINC000580823341 505846090 /nfs/dbraw/zinc/84/60/90/505846090.db2.gz KOZPIQHEIPZWLY-WBVHZDCISA-N -1 3 369.461 3.442 20 0 FGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)c1ccccc1 ZINC000178486314 496473139 /nfs/dbraw/zinc/47/31/39/496473139.db2.gz MXRQMGQYJKNECL-NSHDSACASA-N -1 3 353.827 3.166 20 0 FGADHM CCn1ncc2ccc([N-]S(=O)(=O)CCOc3ccc(F)cc3)cc21 ZINC000172889528 496478196 /nfs/dbraw/zinc/47/81/96/496478196.db2.gz QYKWMYWEDRBUHK-UHFFFAOYSA-N -1 3 363.414 3.016 20 0 FGADHM O=C(Cc1ccccc1)N1CCC[C@@H]1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000153525587 496485433 /nfs/dbraw/zinc/48/54/33/496485433.db2.gz UEGDWSXMHJXQQT-MRXNPFEDSA-N -1 3 358.825 3.218 20 0 FGADHM CCSCc1cc(C(=O)[N-]c2nc3c(s2)CN(CC)CC3)no1 ZINC000184692394 496494344 /nfs/dbraw/zinc/49/43/44/496494344.db2.gz XFUPRQXVZSAWOV-UHFFFAOYSA-N -1 3 352.485 3.015 20 0 FGADHM COC(=O)c1sccc1S(=O)(=O)[N-]C1(c2ccccc2)CCCC1 ZINC000157568334 496505726 /nfs/dbraw/zinc/50/57/26/496505726.db2.gz VOAMXPRZRVIUSR-UHFFFAOYSA-N -1 3 365.476 3.283 20 0 FGADHM CCC[C@H](C)CS(=O)(=O)[N-][C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000175706296 496509543 /nfs/dbraw/zinc/50/95/43/496509543.db2.gz HFGMTYLHGBVFDG-KBPBESRZSA-N -1 3 351.472 3.077 20 0 FGADHM CC1(C)CC[C@H](CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)O1 ZINC000187652405 496521679 /nfs/dbraw/zinc/52/16/79/496521679.db2.gz WPRGKYIRORWBMY-CYBMUJFWSA-N -1 3 356.451 3.159 20 0 FGADHM CC1(C)CC[C@@H](CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)O1 ZINC000187652421 496521922 /nfs/dbraw/zinc/52/19/22/496521922.db2.gz WPRGKYIRORWBMY-ZDUSSCGKSA-N -1 3 356.451 3.159 20 0 FGADHM CC(C)(NC(=O)c1ccccc1)c1noc(-c2n[n-]nc2-c2ccccc2)n1 ZINC000578049027 505849352 /nfs/dbraw/zinc/84/93/52/505849352.db2.gz FVBBJYRCOYOYGY-UHFFFAOYSA-N -1 3 374.404 3.187 20 0 FGADHM O=C(Nc1ncc(Cc2cccc(F)c2)s1)c1cccc2nn[n-]c21 ZINC000163509676 496525078 /nfs/dbraw/zinc/52/50/78/496525078.db2.gz IHRLQIKZXGABNB-UHFFFAOYSA-N -1 3 353.382 3.397 20 0 FGADHM O=C(Nc1ncc(Cc2cccc(F)c2)s1)c1cccc2[n-]nnc21 ZINC000163509676 496525084 /nfs/dbraw/zinc/52/50/84/496525084.db2.gz IHRLQIKZXGABNB-UHFFFAOYSA-N -1 3 353.382 3.397 20 0 FGADHM O=C(Nc1ncc(Cc2cccc(F)c2)s1)c1cccc2n[n-]nc21 ZINC000163509676 496525088 /nfs/dbraw/zinc/52/50/88/496525088.db2.gz IHRLQIKZXGABNB-UHFFFAOYSA-N -1 3 353.382 3.397 20 0 FGADHM NC(=O)c1ccc(NC(=O)c2c[n-]nc2-c2cccc(OC(F)F)c2)cc1 ZINC000173032288 496526721 /nfs/dbraw/zinc/52/67/21/496526721.db2.gz IBCKRAOIDDGQBN-UHFFFAOYSA-N -1 3 372.331 3.029 20 0 FGADHM NC(=O)c1ccc(NC(=O)c2cn[n-]c2-c2cccc(OC(F)F)c2)cc1 ZINC000173032288 496526729 /nfs/dbraw/zinc/52/67/29/496526729.db2.gz IBCKRAOIDDGQBN-UHFFFAOYSA-N -1 3 372.331 3.029 20 0 FGADHM COCCCCCN1Cc2cccc(Br)c2C[C@H]1C(=O)[O-] ZINC000574763725 505850600 /nfs/dbraw/zinc/85/06/00/505850600.db2.gz KTMUKPZUDGUWED-HNNXBMFYSA-N -1 3 356.260 3.077 20 0 FGADHM CC[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)[C@H]1CCCO1 ZINC000157755368 496547126 /nfs/dbraw/zinc/54/71/26/496547126.db2.gz VGBPHTOCUBDHDU-VXGBXAGGSA-N -1 3 355.353 3.080 20 0 FGADHM COc1cc(C)cc(-c2nc(CC(=O)Nc3ccc(C)cc3)no2)c1[O-] ZINC000184827494 496547879 /nfs/dbraw/zinc/54/78/79/496547879.db2.gz XUUBHFWIJNFFGO-UHFFFAOYSA-N -1 3 353.378 3.249 20 0 FGADHM CC[C@H](CNC(=O)NCc1ccc([O-])c(F)c1)Oc1ccccc1F ZINC000175795933 496548624 /nfs/dbraw/zinc/54/86/24/496548624.db2.gz HFCSPFHEXFPGCV-CYBMUJFWSA-N -1 3 350.365 3.327 20 0 FGADHM COc1sc(C[N-]c2nnc([C@@H]3CCCO3)o2)cc1Br ZINC000181799199 496550139 /nfs/dbraw/zinc/55/01/39/496550139.db2.gz SVDWVIZHFWTDML-VIFPVBQESA-N -1 3 360.233 3.366 20 0 FGADHM Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000571940517 505851201 /nfs/dbraw/zinc/85/12/01/505851201.db2.gz QAZIFJKYLXFSJX-UHFFFAOYSA-N -1 3 368.437 3.006 20 0 FGADHM C/C(=C\C(C)(C)C)C(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000184883544 496571033 /nfs/dbraw/zinc/57/10/33/496571033.db2.gz WMOKGVVCHLXBSC-OUKQBFOZSA-N -1 3 370.540 3.010 20 0 FGADHM 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20 0 FGADHM CCc1ccc(C(=O)Nc2ccc(C(=O)NC3CCOCC3)cc2)c([O-])c1 ZINC000188297736 496745733 /nfs/dbraw/zinc/74/57/33/496745733.db2.gz FKTHLIJXXLRNPP-UHFFFAOYSA-N -1 3 368.433 3.116 20 0 FGADHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N(CC1CCC1)C(C)C ZINC000194901202 496754925 /nfs/dbraw/zinc/75/49/25/496754925.db2.gz DCUDRMLPRGFNJQ-UHFFFAOYSA-N -1 3 366.483 3.209 20 0 FGADHM Cc1ccc(C[C@@H](CNCc2cccc3c2OCCCO3)C(=O)[O-])cc1 ZINC000277423536 496768821 /nfs/dbraw/zinc/76/88/21/496768821.db2.gz SZNNSZKCTXULEX-SFHVURJKSA-N -1 3 355.434 3.189 20 0 FGADHM CN(C)C(=O)Cc1ccc(NC(=O)c2cn[n-]c2-c2ccsc2)cc1 ZINC000188377487 496770143 /nfs/dbraw/zinc/77/01/43/496770143.db2.gz DBSAYKDKDXFFES-UHFFFAOYSA-N -1 3 354.435 3.021 20 0 FGADHM CN(C)C(=O)Cc1ccc(NC(=O)c2c[n-]nc2-c2ccsc2)cc1 ZINC000188377487 496770147 /nfs/dbraw/zinc/77/01/47/496770147.db2.gz DBSAYKDKDXFFES-UHFFFAOYSA-N -1 3 354.435 3.021 20 0 FGADHM COc1ccc(-c2nc([N-]C(=O)c3csc(C4CC4)n3)n[nH]2)c(OC)c1 ZINC000195028474 496796344 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Cc1ccc(Cl)cc1N1CC[C@@H](C[N-]S(=O)(=O)c2ccco2)C1 ZINC000188659344 496868481 /nfs/dbraw/zinc/86/84/81/496868481.db2.gz GVDRTOAKLQQHSD-ZDUSSCGKSA-N -1 3 354.859 3.046 20 0 FGADHM COC(=O)C[C@@H]([N-]S(=O)(=O)c1ccco1)c1ccc(C(C)(C)C)cc1 ZINC000188703668 496881838 /nfs/dbraw/zinc/88/18/38/496881838.db2.gz ZBJUNQBOVVNDCJ-OAHLLOKOSA-N -1 3 365.451 3.160 20 0 FGADHM COC[C@H](C)Oc1ccc(Cl)cc1N[C@@H](C)C(=O)[N-]c1cc(C)no1 ZINC000188702425 496882028 /nfs/dbraw/zinc/88/20/28/496882028.db2.gz XUKAZARULOZHLN-RYUDHWBXSA-N -1 3 367.833 3.489 20 0 FGADHM O=C(NCc1nccn1C(F)F)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000188714472 496885673 /nfs/dbraw/zinc/88/56/73/496885673.db2.gz RVJIGPLJHAKWFC-UHFFFAOYSA-N -1 3 357.773 3.313 20 0 FGADHM CC(C)CCN(C(=O)c1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1)C1CCCC1 ZINC000269211915 496895302 /nfs/dbraw/zinc/89/53/02/496895302.db2.gz BGJGDZCEGCVPRI-OAQYLSRUSA-N -1 3 371.481 3.172 20 0 FGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N(C)[C@H]1CCC[C@@H](C)C1 ZINC000195342362 496895892 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CCCCc1nc(C(=O)OCC)c(NC(=O)CC[C@@H]2CC[C@H](C)O2)[n-]1 ZINC000191963069 496944593 /nfs/dbraw/zinc/94/45/93/496944593.db2.gz YRFKGJPKZJRLLQ-STQMWFEESA-N -1 3 351.447 3.215 20 0 FGADHM CCCCc1nc(NC(=O)CC[C@@H]2CC[C@H](C)O2)c(C(=O)OCC)[n-]1 ZINC000191963069 496944598 /nfs/dbraw/zinc/94/45/98/496944598.db2.gz YRFKGJPKZJRLLQ-STQMWFEESA-N -1 3 351.447 3.215 20 0 FGADHM CCCCc1nc(C(=O)OCC)c(NC(=O)[C@@H]2OCCc3ccccc32)[n-]1 ZINC000191964477 496946556 /nfs/dbraw/zinc/94/65/56/496946556.db2.gz YHEBWDBDVVWGIZ-QGZVFWFLSA-N -1 3 371.437 3.182 20 0 FGADHM CCCCc1nc(NC(=O)[C@@H]2OCCc3ccccc32)c(C(=O)OCC)[n-]1 ZINC000191964477 496946562 /nfs/dbraw/zinc/94/65/62/496946562.db2.gz YHEBWDBDVVWGIZ-QGZVFWFLSA-N -1 3 371.437 3.182 20 0 FGADHM COc1cc(-c2noc([C@@H]3CC(=O)N(C4CCC(C)CC4)C3)n2)ccc1[O-] ZINC000264625126 496947365 /nfs/dbraw/zinc/94/73/65/496947365.db2.gz RQHUTBUGMSJZNI-HNFVBEJKSA-N -1 3 371.437 3.345 20 0 FGADHM CCOC(=O)Cc1csc(NC(=O)c2cc([O-])ccc2C(F)(F)F)n1 ZINC000188940697 496954008 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CCOc1nc2ccc(C(=O)N[C@H](c3ccccc3)[C@@H]3CCOC3)cc2[n-]1 ZINC000574898004 505878035 /nfs/dbraw/zinc/87/80/35/505878035.db2.gz DWQIYYZHGWZLSG-VQIMIIECSA-N -1 3 365.433 3.469 20 0 FGADHM COC(=O)c1c([N-]C(=O)c2ncc(F)cc2F)sc2c1CCCC2 ZINC000192101815 496995690 /nfs/dbraw/zinc/99/56/90/496995690.db2.gz GVEFIZJIFJMSEX-UHFFFAOYSA-N -1 3 352.362 3.339 20 0 FGADHM O=C1C[C@H](c2noc(-c3ccc4c(c3[O-])CCCC4)n2)CN1CC1CCC1 ZINC000274030474 496997301 /nfs/dbraw/zinc/99/73/01/496997301.db2.gz UBRCRYCHEVMVAM-HNNXBMFYSA-N -1 3 367.449 3.437 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-][C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000189081980 497001898 /nfs/dbraw/zinc/00/18/98/497001898.db2.gz IBCTYWXYSBHRJX-GJZGRUSLSA-N -1 3 351.493 3.446 20 0 FGADHM C[C@H]1CCCCN1C(=O)c1ccc(NC([O-])=NO[C@H]2CCCCO2)cc1 ZINC000274138522 497025159 /nfs/dbraw/zinc/02/51/59/497025159.db2.gz DAAIAWHBFVLJQW-YOEHRIQHSA-N -1 3 361.442 3.281 20 0 FGADHM C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)[N-]O[C@H]2CCCCO2)cc1 ZINC000274138522 497025164 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CC(C)(O)CO[N-]C(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1 ZINC000278556945 497153300 /nfs/dbraw/zinc/15/33/00/497153300.db2.gz HZRKKQLVLZXNFV-UHFFFAOYSA-N -1 3 365.817 3.138 20 0 FGADHM COc1cc(C(=O)N2CCC(OCc3ccccc3)CC2)cc(OC)c1[O-] ZINC000270614723 497163170 /nfs/dbraw/zinc/16/31/70/497163170.db2.gz PPQPLIZUTWNDEY-UHFFFAOYSA-N -1 3 371.433 3.231 20 0 FGADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1cccc2c1CN(c1ccccn1)C2 ZINC000274843448 497180444 /nfs/dbraw/zinc/18/04/44/497180444.db2.gz OWNGAEOAGLMACC-GOSISDBHSA-N -1 3 354.410 3.182 20 0 FGADHM O=C([N-]O[C@@H]1CCCCO1)Nc1cccc2c1CN(c1ccccn1)C2 ZINC000274843448 497180448 /nfs/dbraw/zinc/18/04/48/497180448.db2.gz OWNGAEOAGLMACC-GOSISDBHSA-N -1 3 354.410 3.182 20 0 FGADHM Cc1ccc(NC([O-])=NO[C@@H]2CCCCO2)cc1OCC1CCOCC1 ZINC000274849576 497181160 /nfs/dbraw/zinc/18/11/60/497181160.db2.gz QSAHCWBRHQQIHD-GOSISDBHSA-N -1 3 364.442 3.380 20 0 FGADHM Cc1ccc(NC(=O)[N-]O[C@@H]2CCCCO2)cc1OCC1CCOCC1 ZINC000274849576 497181163 /nfs/dbraw/zinc/18/11/63/497181163.db2.gz QSAHCWBRHQQIHD-GOSISDBHSA-N -1 3 364.442 3.380 20 0 FGADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1 ZINC000192688420 497184942 /nfs/dbraw/zinc/18/49/42/497184942.db2.gz MWNDMYHOXUSRAI-KFWWJZLASA-N -1 3 364.490 3.177 20 0 FGADHM COc1cc(NC2CCN([C@@H](C)c3nc(C)cc(=O)[n-]3)CC2)cc(OC)c1 ZINC000192687017 497184986 /nfs/dbraw/zinc/18/49/86/497184986.db2.gz FOFBUVWOHUPKQX-AWEZNQCLSA-N -1 3 372.469 3.145 20 0 FGADHM COc1ccc(NC([O-])=NO[C@@H]2CCCCO2)cc1OCC(F)(F)F ZINC000274903771 497195147 /nfs/dbraw/zinc/19/51/47/497195147.db2.gz LTRBUWQXZQVJFY-CYBMUJFWSA-N -1 3 364.320 3.216 20 0 FGADHM COc1ccc(NC(=O)[N-]O[C@@H]2CCCCO2)cc1OCC(F)(F)F ZINC000274903771 497195150 /nfs/dbraw/zinc/19/51/50/497195150.db2.gz LTRBUWQXZQVJFY-CYBMUJFWSA-N -1 3 364.320 3.216 20 0 FGADHM [O-]C(=NO[C@H]1CCCCO1)Nc1ccc(OC(F)F)cc1OC(F)F ZINC000274926728 497199628 /nfs/dbraw/zinc/19/96/28/497199628.db2.gz QAKQQOFKONACFP-NSHDSACASA-N -1 3 368.283 3.469 20 0 FGADHM O=C([N-]O[C@H]1CCCCO1)Nc1ccc(OC(F)F)cc1OC(F)F ZINC000274926728 497199630 /nfs/dbraw/zinc/19/96/30/497199630.db2.gz QAKQQOFKONACFP-NSHDSACASA-N -1 3 368.283 3.469 20 0 FGADHM COC(=O)C(C)(C)c1ccc(NC(=O)c2cc(OC)c([O-])c(OC)c2)cc1 ZINC000270781681 497201570 /nfs/dbraw/zinc/20/15/70/497201570.db2.gz HQTBKUBKWSVWQI-UHFFFAOYSA-N -1 3 373.405 3.112 20 0 FGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@@H](c1ccccc1)C1CC1 ZINC000189664996 497202137 /nfs/dbraw/zinc/20/21/37/497202137.db2.gz VVAZJQXPEBREEH-AWEZNQCLSA-N -1 3 365.476 3.273 20 0 FGADHM COc1cc(-c2noc([C@H]3CCN(C(=O)OC(C)(C)C)C3)n2)ccc1[O-] ZINC000265910247 497206013 /nfs/dbraw/zinc/20/60/13/497206013.db2.gz QRBOPTJCLUDHCB-LBPRGKRZSA-N -1 3 361.398 3.175 20 0 FGADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCC(n3ccc(C(F)(F)F)n3)CC2)n1 ZINC000192770845 497210248 /nfs/dbraw/zinc/21/02/48/497210248.db2.gz UKUFLGNMSUVLRM-LLVKDONJSA-N -1 3 355.364 3.104 20 0 FGADHM Cc1ncc(CNC(=O)NCc2ccc(Oc3ccccc3)cc2)c(=O)[n-]1 ZINC000572108080 505891749 /nfs/dbraw/zinc/89/17/49/505891749.db2.gz DWOWHDYCZNPSKX-UHFFFAOYSA-N -1 3 364.405 3.282 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C3(C)COC(C)(C)OC3)c2)n1 ZINC000270886970 497221338 /nfs/dbraw/zinc/22/13/38/497221338.db2.gz BQHYNHYLGWYBGS-UHFFFAOYSA-N -1 3 371.437 3.139 20 0 FGADHM COC(=O)CCSc1ncccc1[N-]C(=O)c1oc(C2CC2)nc1C ZINC000275034979 497224713 /nfs/dbraw/zinc/22/47/13/497224713.db2.gz LCEYLXXKNFHFHB-UHFFFAOYSA-N -1 3 361.423 3.163 20 0 FGADHM CCOC(=O)c1ccsc1[N-]C(=O)C(=O)N1C[C@H](C)c2ccccc21 ZINC000192848265 497229173 /nfs/dbraw/zinc/22/91/73/497229173.db2.gz VIYSSNFAAMBWIS-NSHDSACASA-N -1 3 358.419 3.014 20 0 FGADHM O=S(=O)([N-]CCCc1nccs1)c1ccc(Cl)c(Cl)c1 ZINC000574964844 505892866 /nfs/dbraw/zinc/89/28/66/505892866.db2.gz VIQPLYHRFJVAJM-UHFFFAOYSA-N -1 3 351.280 3.361 20 0 FGADHM COc1cccc([C@H](C)CCCC(=O)N2CCc3nc[n-]c(=O)c3C2)c1 ZINC000278846358 497241533 /nfs/dbraw/zinc/24/15/33/497241533.db2.gz XLBBGDOULAPEAN-CQSZACIVSA-N -1 3 355.438 3.050 20 0 FGADHM Cc1c([C@H](C)NC(=O)c2cccc3nn[n-]c32)cnn1-c1ccc(F)cc1 ZINC000189823990 497257070 /nfs/dbraw/zinc/25/70/70/497257070.db2.gz XBGIPFRCGIKFDN-NSHDSACASA-N -1 3 364.384 3.082 20 0 FGADHM Cc1c([C@H](C)NC(=O)c2cccc3[n-]nnc32)cnn1-c1ccc(F)cc1 ZINC000189823990 497257075 /nfs/dbraw/zinc/25/70/75/497257075.db2.gz XBGIPFRCGIKFDN-NSHDSACASA-N -1 3 364.384 3.082 20 0 FGADHM Cc1c([C@H](C)NC(=O)c2cccc3n[n-]nc32)cnn1-c1ccc(F)cc1 ZINC000189823990 497257078 /nfs/dbraw/zinc/25/70/78/497257078.db2.gz XBGIPFRCGIKFDN-NSHDSACASA-N -1 3 364.384 3.082 20 0 FGADHM CC(C)(C)OC(=O)NCc1ccc(NC([O-])=NOCc2cccnc2)cc1 ZINC000275327058 497290096 /nfs/dbraw/zinc/29/00/96/497290096.db2.gz VGDGZVMROJPMOH-UHFFFAOYSA-N -1 3 372.425 3.360 20 0 FGADHM CC(C)(C)OC(=O)NCc1ccc(NC(=O)[N-]OCc2cccnc2)cc1 ZINC000275327058 497290098 /nfs/dbraw/zinc/29/00/98/497290098.db2.gz VGDGZVMROJPMOH-UHFFFAOYSA-N -1 3 372.425 3.360 20 0 FGADHM CC[C@@](C)(O)CN(Cc1ccccc1)C(=O)c1c[n-]c2ccccc2c1=O ZINC000189917314 497292142 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COc1cc(C(=O)N[C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)cc(OC)c1[O-] ZINC000281076675 498012102 /nfs/dbraw/zinc/01/21/02/498012102.db2.gz OSOKCQLDMYUBNC-GXFFZTMASA-N -1 3 367.323 3.113 20 0 FGADHM O=S(=O)(C[C@@H]1CCCC1(F)F)[N-]Cc1csc(-c2ccco2)n1 ZINC000296366461 498014614 /nfs/dbraw/zinc/01/46/14/498014614.db2.gz RGEBXNZGGYHZQC-JTQLQIEISA-N -1 3 362.423 3.258 20 0 FGADHM CCOc1cc(-c2noc(CN3CCc4ccccc4C3=O)n2)ccc1[O-] ZINC000289105905 498018992 /nfs/dbraw/zinc/01/89/92/498018992.db2.gz KMLNRUGSBZHVJG-UHFFFAOYSA-N -1 3 365.389 3.039 20 0 FGADHM CS(=O)(=O)[N-]c1ccc(-c2noc(C3(C(F)F)CCCC3)n2)cc1 ZINC000349950222 498025322 /nfs/dbraw/zinc/02/53/22/498025322.db2.gz MZLXFFXZSVDWTB-UHFFFAOYSA-N -1 3 357.382 3.185 20 0 FGADHM C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)N1CCCC1 ZINC000572430010 505966741 /nfs/dbraw/zinc/96/67/41/505966741.db2.gz JEJSRISQUORUIH-JTQLQIEISA-N -1 3 370.824 3.121 20 0 FGADHM O=C(Nc1cc(Br)ccc1[O-])C1CCN(CC(F)F)CC1 ZINC000281152326 498036346 /nfs/dbraw/zinc/03/63/46/498036346.db2.gz ZYIPUVBROPZNGI-UHFFFAOYSA-N -1 3 363.202 3.070 20 0 FGADHM CC(=O)c1ccc(C(=O)N2CC[C@H](C)[C@H](C(=O)OC(C)(C)C)C2)cc1[O-] ZINC000569579401 505969161 /nfs/dbraw/zinc/96/91/61/505969161.db2.gz KLJPCCALJRIPBQ-BLLLJJGKSA-N -1 3 361.438 3.035 20 0 FGADHM Cc1cc(C)cc(NC(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)c1 ZINC000281195302 498051886 /nfs/dbraw/zinc/05/18/86/498051886.db2.gz BYSYNVKXHXAPJK-UHFFFAOYSA-N -1 3 357.376 3.226 20 0 FGADHM CCOC(=O)c1ccc(NC(=O)[C@H]2CCC(=O)c3ccccc32)c([O-])c1 ZINC000285501080 498108983 /nfs/dbraw/zinc/10/89/83/498108983.db2.gz FGVSPCNRMUCTPM-HNNXBMFYSA-N -1 3 353.374 3.268 20 0 FGADHM O=C(c1cccnc1)N1CCCC[C@@H]1c1nc(-c2ccc([O-])cc2)no1 ZINC000350592005 498121629 /nfs/dbraw/zinc/12/16/29/498121629.db2.gz YCDRETLTNXCELY-MRXNPFEDSA-N -1 3 350.378 3.205 20 0 FGADHM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCC[C@@H]1C ZINC000330393582 498123606 /nfs/dbraw/zinc/12/36/06/498123606.db2.gz QKWQXEXLYKHUGN-SGMGOOAPSA-N -1 3 361.891 3.221 20 0 FGADHM CC(C)(C)c1ccc(NC(=O)CCS(=O)(=O)C2CCCC2)c([O-])c1 ZINC000330411276 498127482 /nfs/dbraw/zinc/12/74/82/498127482.db2.gz URBTWWSCGBLKES-UHFFFAOYSA-N -1 3 353.484 3.376 20 0 FGADHM O=c1nc(Cc2noc(Cc3ccoc3)n2)[n-]c2scc(C3CC3)c21 ZINC000350636158 498127474 /nfs/dbraw/zinc/12/74/74/498127474.db2.gz JJAKDRLVVFTAOO-UHFFFAOYSA-N -1 3 354.391 3.432 20 0 FGADHM Cc1cc(Br)cnc1NCCCNC(=O)c1cccc([O-])c1 ZINC000301507223 498139717 /nfs/dbraw/zinc/13/97/17/498139717.db2.gz ACBGSXOHGQHZEK-UHFFFAOYSA-N -1 3 364.243 3.090 20 0 FGADHM C[C@@H]1CCCN(Cc2csc([N-]C(=O)c3snnc3C3CC3)n2)C1 ZINC000289460143 498154470 /nfs/dbraw/zinc/15/44/70/498154470.db2.gz VVGIFFZYXOFIFX-SNVBAGLBSA-N -1 3 363.512 3.356 20 0 FGADHM O=C([N-]C[C@H]1CCCN(Cc2nc3ccccc3s2)C1)C(F)(F)F ZINC000289498549 498168750 /nfs/dbraw/zinc/16/87/50/498168750.db2.gz PRPAYZWVCYFQNU-LLVKDONJSA-N -1 3 357.401 3.187 20 0 FGADHM CCOCc1nc([C@@H](C)[N-]S(=O)(=O)c2ccc([C@H](C)CC)cc2)no1 ZINC000289507929 498173085 /nfs/dbraw/zinc/17/30/85/498173085.db2.gz KOTQONIXNNTQNP-CHWSQXEVSA-N -1 3 367.471 3.159 20 0 FGADHM Cc1noc(C)c1S(=O)(=O)[N-][C@H](c1ccc(Cl)cc1)[C@@H]1CCOC1 ZINC000364861326 498178923 /nfs/dbraw/zinc/17/89/23/498178923.db2.gz SFVZGDXQSJSHMF-UKRRQHHQSA-N -1 3 370.858 3.001 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)C3(c4cccnc4)CCCC3)[n-]c21 ZINC000578672360 505993819 /nfs/dbraw/zinc/99/38/19/505993819.db2.gz BGTNETRFKPNARR-UHFFFAOYSA-N -1 3 364.405 3.195 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)C3(c4cccnc4)CCCC3)nc21 ZINC000578672360 505993823 /nfs/dbraw/zinc/99/38/23/505993823.db2.gz BGTNETRFKPNARR-UHFFFAOYSA-N -1 3 364.405 3.195 20 0 FGADHM COc1ccc(CN2C[C@@H](C)OC3(CCC3)C2)c(Br)c1[O-] ZINC000569694647 505995615 /nfs/dbraw/zinc/99/56/15/505995615.db2.gz KWJAGQDXOYPABX-LLVKDONJSA-N -1 3 356.260 3.307 20 0 FGADHM C[C@@H]1CCN(Cc2cccc(C(=O)Nc3ccccc3)c2)C[C@H]1C(=O)[O-] ZINC000581488332 506000269 /nfs/dbraw/zinc/00/02/69/506000269.db2.gz CDHJQZIZLHXHHB-DNVCBOLYSA-N -1 3 352.434 3.482 20 0 FGADHM COC[C@]1(C(=O)[O-])CCCN(Cc2nc(-c3ccc(C)cc3)cs2)C1 ZINC000581494329 506001164 /nfs/dbraw/zinc/00/11/64/506001164.db2.gz IJHMWXUHKUCVPX-IBGZPJMESA-N -1 3 360.479 3.432 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H]3CCO[C@]4(CCSC4)C3)nc2)n1 ZINC000301741009 498246691 /nfs/dbraw/zinc/24/66/91/498246691.db2.gz XSULFKTWUGEBJG-DNVCBOLYSA-N -1 3 372.494 3.273 20 0 FGADHM CN(C[C@H]1CCCN1C(=O)c1cc(=O)c2ccccc2[n-]1)c1ccccc1 ZINC000360125327 498248260 /nfs/dbraw/zinc/24/82/60/498248260.db2.gz ZSSZGOIIVSWAOY-QGZVFWFLSA-N -1 3 361.445 3.269 20 0 FGADHM CC(C)n1cc(S(=O)(=O)[N-]C[C@H]2CCCC[C@@H]2C(F)(F)F)cn1 ZINC000331177668 498268867 /nfs/dbraw/zinc/26/88/67/498268867.db2.gz QJZKMSBVKGBJLG-YPMHNXCESA-N -1 3 353.410 3.111 20 0 FGADHM [O-]c1ccc(F)c(CN=c2[nH]c3cc4c(cc3s2)OCCO4)c1F ZINC000569752948 506007661 /nfs/dbraw/zinc/00/76/61/506007661.db2.gz ONAOOHNKDSBYGP-UHFFFAOYSA-N -1 3 350.346 3.085 20 0 FGADHM O=c1[nH]cccc1[N-]S(=O)(=O)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000581541628 506011646 /nfs/dbraw/zinc/01/16/46/506011646.db2.gz VDFADEMALMPMRW-UHFFFAOYSA-N -1 3 352.721 3.260 20 0 FGADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCCN(C(=O)c3ccccc3Cl)CC2)n1 ZINC000365102753 498297637 /nfs/dbraw/zinc/29/76/37/498297637.db2.gz XFRRBAPNYKRNNJ-CQSZACIVSA-N -1 3 374.872 3.053 20 0 FGADHM C[C@@H](CNC(=O)c1c[n-]nc1-c1ccccn1)COCc1ccccc1 ZINC000569773537 506012324 /nfs/dbraw/zinc/01/23/24/506012324.db2.gz XSLSWUJZCCPXBH-HNNXBMFYSA-N -1 3 350.422 3.054 20 0 FGADHM CC[C@@H]1C[C@H](CC(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)CCO1 ZINC000360715829 498301789 /nfs/dbraw/zinc/30/17/89/498301789.db2.gz GZUYNXGLNJWWSF-RHSMWYFYSA-N -1 3 355.438 3.279 20 0 FGADHM Cn1[n-]c(=NC(=O)N[C@H]2C[C@H](c3cccc(Cl)c3)C2)cc1OC(F)F ZINC000569775437 506013120 /nfs/dbraw/zinc/01/31/20/506013120.db2.gz VTBGPWLNERMYAB-UMSPYCQHSA-N -1 3 370.787 3.165 20 0 FGADHM C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)C[C@H](C)O ZINC000286156550 498307878 /nfs/dbraw/zinc/30/78/78/498307878.db2.gz XTKYTHGPLMPQDL-BDAKNGLRSA-N -1 3 359.797 3.044 20 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/nfs/dbraw/zinc/36/23/79/498362379.db2.gz KSNHWMCDDOHJHM-UHFFFAOYSA-N -1 3 360.418 3.001 20 0 FGADHM C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)N=c2cc(OC(F)F)n(C)[n-]2)C1 ZINC000331559148 498372682 /nfs/dbraw/zinc/37/26/82/498372682.db2.gz PGUFKLPCRRWAOL-ZWNOBZJWSA-N -1 3 368.359 3.198 20 0 FGADHM CCc1ccc(C(=O)N2CCC(C(=O)Nc3nc(C)cs3)CC2)c([O-])c1 ZINC000365287403 498388510 /nfs/dbraw/zinc/38/85/10/498388510.db2.gz GCIZGQBNSGGCNA-UHFFFAOYSA-N -1 3 373.478 3.210 20 0 FGADHM C[C@@H](c1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1nc2c([n-]1)CCC2 ZINC000569831055 506027474 /nfs/dbraw/zinc/02/74/74/506027474.db2.gz VFZPJUPGPBCRDA-VIFPVBQESA-N -1 3 360.357 3.332 20 0 FGADHM CC(C)(C)c1nc([N-][C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)no1 ZINC000302173403 498427513 /nfs/dbraw/zinc/42/75/13/498427513.db2.gz VTBMGRVBXNCYKW-LBPRGKRZSA-N -1 3 352.797 3.377 20 0 FGADHM Cc1nc2sc(-c3ccccc3)cc2c(N(C)C[C@H](C)c2nnn[n-]2)n1 ZINC000302175541 498429630 /nfs/dbraw/zinc/42/96/30/498429630.db2.gz WEDKXTZWQCMZEK-NSHDSACASA-N -1 3 365.466 3.420 20 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/nfs/dbraw/zinc/46/10/83/498461083.db2.gz AIFOBESEFOBFJF-GFCCVEGCSA-N -1 3 370.384 3.012 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)N1CCC[C@@H](n2cnc3ccccc32)C1 ZINC000365464394 498480292 /nfs/dbraw/zinc/48/02/92/498480292.db2.gz FXZXLMRJJQDKEN-OAHLLOKOSA-N -1 3 368.412 3.428 20 0 FGADHM O=C([O-])CN(Cc1nc2cc(Br)ccc2[nH]1)C1CCCC1 ZINC000581678097 506042786 /nfs/dbraw/zinc/04/27/86/506042786.db2.gz APAQCUCVJYBZPT-UHFFFAOYSA-N -1 3 352.232 3.155 20 0 FGADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCOC[C@@H]1CC(F)F ZINC000286757495 498499613 /nfs/dbraw/zinc/49/96/13/498499613.db2.gz PGPKBQHPCDZEKH-INIZCTEOSA-N -1 3 361.388 3.479 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@@H]2CCC[C@H](F)C2)c1-c1ccc2c(c1)OCCO2 ZINC000578883575 506044249 /nfs/dbraw/zinc/04/42/49/506044249.db2.gz SIMQUXQMFSRFON-KGLIPLIRSA-N -1 3 359.401 3.045 20 0 FGADHM Cc1ccc(C[C@H](C)C(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)cc1 ZINC000290307672 498503704 /nfs/dbraw/zinc/50/37/04/498503704.db2.gz GWIFANFYTLVXKP-GOEBONIOSA-N -1 3 370.415 3.091 20 0 FGADHM C[C@H]1CCN(CC2=Cc3cc(Br)ccc3OC2)C[C@@H]1C(=O)[O-] ZINC000572761862 506046356 /nfs/dbraw/zinc/04/63/56/506046356.db2.gz KABJUWLSMMASCH-NHYWBVRUSA-N -1 3 366.255 3.268 20 0 FGADHM O=C(NCc1ccc([O-])c(Br)c1)N1CCCC12CCOCC2 ZINC000362428650 498516057 /nfs/dbraw/zinc/51/60/57/498516057.db2.gz JUHCFGLWNYWPFC-UHFFFAOYSA-N -1 3 369.259 3.009 20 0 FGADHM CCOc1cc(CNc2cn(C)nc2CC)cc(Br)c1[O-] ZINC000297625634 498516486 /nfs/dbraw/zinc/51/64/86/498516486.db2.gz LPIWSLGYXQLELA-UHFFFAOYSA-N -1 3 354.248 3.461 20 0 FGADHM C[C@@H]1CCN(CC2=Cc3cc(Br)ccc3OC2)C[C@@H]1C(=O)[O-] ZINC000572761860 506046622 /nfs/dbraw/zinc/04/66/22/506046622.db2.gz KABJUWLSMMASCH-ABAIWWIYSA-N -1 3 366.255 3.268 20 0 FGADHM COc1ccc(CN2CCC[C@]2(C)CCCO)c(Br)c1[O-] ZINC000290345148 498517697 /nfs/dbraw/zinc/51/76/97/498517697.db2.gz FRCIXVQCHRECFS-MRXNPFEDSA-N -1 3 358.276 3.290 20 0 FGADHM CC(C)c1cc(C(=O)N2CC[C@@H](CS(C)(=O)=O)C2)c([O-])c(C(C)C)c1 ZINC000293872464 498517958 /nfs/dbraw/zinc/51/79/58/498517958.db2.gz 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362.495 3.141 20 0 FGADHM COc1ccc(CNC(=O)c2cccc(OC)c2[O-])c(C(F)(F)F)c1 ZINC000303122733 498649107 /nfs/dbraw/zinc/64/91/07/498649107.db2.gz ITFPTVKHHGQHFH-UHFFFAOYSA-N -1 3 355.312 3.358 20 0 FGADHM Cc1ccc([C@H](C)NC(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)cc1 ZINC000290699301 498651397 /nfs/dbraw/zinc/65/13/97/498651397.db2.gz NGUQAEDNSSLUOW-UONOGXRCSA-N -1 3 371.403 3.156 20 0 FGADHM O=C(c1cc([O-])ccc1Cl)N1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000290718548 498657849 /nfs/dbraw/zinc/65/78/49/498657849.db2.gz RRGAOJZPNGNEET-LJQANCHMSA-N -1 3 363.816 3.252 20 0 FGADHM C[C@H]1CN(C(=O)c2ccc([N-]S(C)(=O)=O)cc2)CC[C@H]1c1ccccc1 ZINC000332355020 498661078 /nfs/dbraw/zinc/66/10/78/498661078.db2.gz HZOYJBMRBUKHMT-HNAYVOBHSA-N -1 3 372.490 3.324 20 0 FGADHM CCC(=O)N1CCCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CC1 ZINC000363120455 498661205 /nfs/dbraw/zinc/66/12/05/498661205.db2.gz RYFZOBIRPXFULT-UHFFFAOYSA-N -1 3 366.461 3.068 20 0 FGADHM CC[C@H](CNC(=O)c1c[n-]nc1-c1ccccn1)Oc1cccc(C)c1 ZINC000576078572 506070767 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CN(Cc1ccc(C(=O)[O-])cc1)C[C@H](O)Cc1ccccc1C(F)(F)F ZINC000572889192 506076096 /nfs/dbraw/zinc/07/60/96/506076096.db2.gz CHWDSDWPLZRZHN-MRXNPFEDSA-N -1 3 367.367 3.439 20 0 FGADHM COc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2c3ccccc3O[C@@H]2C)c1 ZINC000579034218 506078671 /nfs/dbraw/zinc/07/86/71/506078671.db2.gz YKHMLCRWWHZOCB-HWPZZCPQSA-N -1 3 353.827 3.149 20 0 FGADHM Cc1cc(Cl)ccc1C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000332541662 498719901 /nfs/dbraw/zinc/71/99/01/498719901.db2.gz XHGDBUWZCWCNOJ-UHFFFAOYSA-N -1 3 372.852 3.389 20 0 FGADHM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2cc([C@H]3CCCOC3)n[nH]2)c1C ZINC000572907032 506080190 /nfs/dbraw/zinc/08/01/90/506080190.db2.gz JEVOXYWFEGNPFY-HNNXBMFYSA-N -1 3 363.483 3.338 20 0 FGADHM Cc1cc(N2CCSCC2)ccc1NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000570056969 506080642 /nfs/dbraw/zinc/08/06/42/506080642.db2.gz PCSRVHIKTGOENH-UHFFFAOYSA-N -1 3 370.478 3.174 20 0 FGADHM CCSCCC[N-]S(=O)(=O)c1cc(C)c(Br)s1 ZINC000304211206 498732974 /nfs/dbraw/zinc/73/29/74/498732974.db2.gz NHEOIDKDPPPGPC-UHFFFAOYSA-N -1 3 358.348 3.241 20 0 FGADHM Cc1ccc(-c2cnc(C[N-]S(=O)(=O)Cc3cccc(F)c3)o2)cc1 ZINC000363264295 498734733 /nfs/dbraw/zinc/73/47/33/498734733.db2.gz LBNSEZIMXHEKLP-UHFFFAOYSA-N -1 3 360.410 3.409 20 0 FGADHM COCCCON=C([O-])Nc1ccnn1Cc1cccc(Cl)c1Cl ZINC000287380601 498736255 /nfs/dbraw/zinc/73/62/55/498736255.db2.gz RLIQAZVBICHYHA-UHFFFAOYSA-N -1 3 373.240 3.328 20 0 FGADHM COCCCO[N-]C(=O)Nc1ccnn1Cc1cccc(Cl)c1Cl ZINC000287380601 498736261 /nfs/dbraw/zinc/73/62/61/498736261.db2.gz RLIQAZVBICHYHA-UHFFFAOYSA-N -1 3 373.240 3.328 20 0 FGADHM O=C(NCC1(C2CCC2)CCC1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000576117829 506081695 /nfs/dbraw/zinc/08/16/95/506081695.db2.gz XCHGQIQDVGPAOI-QGZVFWFLSA-N -1 3 356.466 3.083 20 0 FGADHM COc1c(C)cnc(CN(C)C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)c1C ZINC000332625416 498745237 /nfs/dbraw/zinc/74/52/37/498745237.db2.gz VFHBRTXQYWHXGF-UHFFFAOYSA-N -1 3 370.449 3.398 20 0 FGADHM CCC1(CC)CN(C(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)C1 ZINC000294607554 498746302 /nfs/dbraw/zinc/74/63/02/498746302.db2.gz ZWYBORPYAZYPRQ-UHFFFAOYSA-N -1 3 354.454 3.134 20 0 FGADHM Cc1ccoc1C[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000311448634 498752256 /nfs/dbraw/zinc/75/22/56/498752256.db2.gz IOHLBLNZWSMFKT-UHFFFAOYSA-N -1 3 364.648 3.482 20 0 FGADHM Cc1cc(=O)[n-]c([C@@H](C)N[C@@H](c2noc(C3CC3)n2)c2ccccc2)n1 ZINC000366074090 498763787 /nfs/dbraw/zinc/76/37/87/498763787.db2.gz ADKOACBNLMBJCS-MLGOLLRUSA-N -1 3 351.410 3.191 20 0 FGADHM Cc1cc(=O)[n-]c([C@H](C)N[C@@H](c2noc(C3CC3)n2)c2ccccc2)n1 ZINC000366074087 498764052 /nfs/dbraw/zinc/76/40/52/498764052.db2.gz ADKOACBNLMBJCS-BLLLJJGKSA-N -1 3 351.410 3.191 20 0 FGADHM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@H](CC(C)(C)C)C2(C)C)c(C)o1 ZINC000332697892 498767452 /nfs/dbraw/zinc/76/74/52/498767452.db2.gz LSYMLDFMUUJJHA-ZDUSSCGKSA-N -1 3 370.515 3.173 20 0 FGADHM Cc1cccc(S(=O)(=O)[N-]Cc2sccc2Br)c1F ZINC000313242605 498768115 /nfs/dbraw/zinc/76/81/15/498768115.db2.gz ZJHQWGZOQQQNPW-UHFFFAOYSA-N -1 3 364.261 3.437 20 0 FGADHM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1nc(Cc2cccc(F)c2)no1 ZINC000570100339 506090406 /nfs/dbraw/zinc/09/04/06/506090406.db2.gz MKLLEGUHQVELRG-BPUTZDHNSA-N -1 3 359.401 3.017 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N3CCC[C@H]3C3CCOCC3)c[n-]c12 ZINC000332804903 498798837 /nfs/dbraw/zinc/79/88/37/498798837.db2.gz AFWLXHWUVUCGSD-KRWDZBQOSA-N -1 3 358.413 3.007 20 0 FGADHM CCOc1ccc([C@@H](O)C2CCN(C(=O)c3c([O-])cccc3O)CC2)cc1 ZINC000291152652 498817750 /nfs/dbraw/zinc/81/77/50/498817750.db2.gz ZAQZNTYKZNAVQY-HXUWFJFHSA-N -1 3 371.433 3.082 20 0 FGADHM CCOc1cc(CNc2ccc(OCCC(N)=O)cc2)cc(Cl)c1[O-] ZINC000298689014 498849775 /nfs/dbraw/zinc/84/97/75/498849775.db2.gz FMDSIPJOSFWFKX-UHFFFAOYSA-N -1 3 364.829 3.311 20 0 FGADHM CC(C)[C@](C)(NCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1)C(N)=O ZINC000298698112 498852489 /nfs/dbraw/zinc/85/24/89/498852489.db2.gz ZROAMRPHABPNLU-IBGZPJMESA-N -1 3 370.478 3.054 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N3C[C@@]4(CCCO4)[C@@H]3C3CC3)c[n-]c12 ZINC000294933774 498853437 /nfs/dbraw/zinc/85/34/37/498853437.db2.gz RGAZCHPGBFCOEG-ICSRJNTNSA-N -1 3 356.397 3.172 20 0 FGADHM C[C@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000579129909 506101467 /nfs/dbraw/zinc/10/14/67/506101467.db2.gz UDZHNGKZAKTFOK-ZBEGNZNMSA-N -1 3 373.840 3.315 20 0 FGADHM Cc1nc(C)c(S(=O)(=O)[N-][C@@H]2CCCO[C@@H]2c2ccc(C)cc2)s1 ZINC000332987424 498859396 /nfs/dbraw/zinc/85/93/96/498859396.db2.gz AFZULDOOPDLTCF-HZPDHXFCSA-N -1 3 366.508 3.267 20 0 FGADHM CC[C@@H](C(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1)c1ccc(F)cc1 ZINC000291256382 498866059 /nfs/dbraw/zinc/86/60/59/498866059.db2.gz YJDYEMSONDAMCS-SWLSCSKDSA-N -1 3 374.378 3.236 20 0 FGADHM Cc1cccc2c(=O)c(C(=O)N3CC[C@](CO)(c4ccccc4)C3)c[n-]c12 ZINC000291261116 498867711 /nfs/dbraw/zinc/86/77/11/498867711.db2.gz PYLXICKJNZFRQL-QFIPXVFZSA-N -1 3 362.429 3.025 20 0 FGADHM COc1cccc(C(=O)N2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)c1[O-] ZINC000287808984 498869416 /nfs/dbraw/zinc/86/94/16/498869416.db2.gz JPYUVEBZXQAXAM-FGTMMUONSA-N -1 3 353.418 3.046 20 0 FGADHM O=C(N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000333031429 498876551 /nfs/dbraw/zinc/87/65/51/498876551.db2.gz HNWKMBWFHSMHAU-DODZYUBVSA-N -1 3 370.493 3.472 20 0 FGADHM CC(C)(C)[C@H](NCc1nc(=O)c2cc(-c3ccccc3)sc2[n-]1)C(N)=O ZINC000298783682 498878071 /nfs/dbraw/zinc/87/80/71/498878071.db2.gz YAKJPNFJBROWSM-OAHLLOKOSA-N -1 3 370.478 3.054 20 0 FGADHM Cc1ccc([C@@H]2CSCCN2C(=O)c2cc(=O)c3ccccc3[n-]2)o1 ZINC000363578405 498887251 /nfs/dbraw/zinc/88/72/51/498887251.db2.gz NOMMVVIHOVJOFM-INIZCTEOSA-N -1 3 354.431 3.360 20 0 FGADHM Cc1cc([N-]C(=O)[C@@H](C)N2CCC([C@@H]3C(=O)Nc4ccccc43)CC2)on1 ZINC000328687523 498901976 /nfs/dbraw/zinc/90/19/76/498901976.db2.gz HCNNNUMVVVZIFE-ACJLOTCBSA-N -1 3 368.437 3.407 20 0 FGADHM CC[C@@H]1CN(c2c(C(=O)[O-])cnc3c(C)cc(C)cc32)C[C@@]2(CCOC2)O1 ZINC000582005628 506110673 /nfs/dbraw/zinc/11/06/73/506110673.db2.gz CZAGZKJIBDORPN-QVKFZJNVSA-N -1 3 370.449 3.324 20 0 FGADHM O=C(CCCN1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1)c1ccccc1 ZINC000295174518 498932645 /nfs/dbraw/zinc/93/26/45/498932645.db2.gz HGQUIJLITARPSU-CQSZACIVSA-N -1 3 356.388 3.040 20 0 FGADHM Cc1ncc(CNC(=O)N[C@H]2CC[C@H](c3cccc(Cl)c3)C2)c(=O)[n-]1 ZINC000579203210 506117341 /nfs/dbraw/zinc/11/73/41/506117341.db2.gz ICQMACVZZWZQLO-BBRMVZONSA-N -1 3 360.845 3.280 20 0 FGADHM Cn1ccnc1[C@H](NC(=O)Cc1ccc([O-])cc1Cl)c1ccccc1F ZINC000363763587 498981125 /nfs/dbraw/zinc/98/11/25/498981125.db2.gz ZQYVYEAPRABTJB-GOSISDBHSA-N -1 3 373.815 3.367 20 0 FGADHM CCc1cc(C(=O)N2CCC[C@@H](c3nnc4n3CCCCC4)C2)ccc1[O-] ZINC000291565153 498993190 /nfs/dbraw/zinc/99/31/90/498993190.db2.gz YMOJUEZCYMXTBF-QGZVFWFLSA-N -1 3 368.481 3.292 20 0 FGADHM O=C(N=c1[nH][n-]cc1Br)[C@H]1C2CCC(CC2)[C@@H]1C(F)(F)F ZINC000333397913 498996975 /nfs/dbraw/zinc/99/69/75/498996975.db2.gz FEHQCIQGCSASTP-SZLYAYFLSA-N -1 3 366.181 3.147 20 0 FGADHM C[C@@H]1C[C@]2(CCO1)CN(C(=O)c1cc([O-])ccc1C(F)(F)F)C[C@H](C)O2 ZINC000366620899 499007231 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3.401 20 0 FGADHM COc1ccc([O-])c(C(=O)N2CCC(c3ccnc(C(C)C)n3)CC2)c1 ZINC000371276165 499305156 /nfs/dbraw/zinc/30/51/56/499305156.db2.gz SXIBLGLRHHZSPS-UHFFFAOYSA-N -1 3 355.438 3.334 20 0 FGADHM O=C(c1ccc(C(=O)N2CCCC23CCOCC3)cc1)c1cccc([O-])c1 ZINC000368711611 499324542 /nfs/dbraw/zinc/32/45/42/499324542.db2.gz GJVXNVWSJVLLCF-UHFFFAOYSA-N -1 3 365.429 3.408 20 0 FGADHM COCCn1c(C)c(C)nc1SCc1noc(-c2ccccc2[O-])n1 ZINC000368782035 499332091 /nfs/dbraw/zinc/33/20/91/499332091.db2.gz NVIJYCOJWVMMKD-UHFFFAOYSA-N -1 3 360.439 3.194 20 0 FGADHM O=c1cc(CN[C@@H](c2ccccc2)[C@H]2CCOC2)c2ccc([O-])cc2o1 ZINC000371498497 499334955 /nfs/dbraw/zinc/33/49/55/499334955.db2.gz VXGCBZXOUQXJNI-BTYIYWSLSA-N -1 3 351.402 3.366 20 0 FGADHM CN(C(=O)c1ccc(O)cc1[O-])[C@@H](c1cccc(F)c1)c1ccccn1 ZINC000371521265 499337664 /nfs/dbraw/zinc/33/76/64/499337664.db2.gz BCZKJAXVXVKTRI-IBGZPJMESA-N -1 3 352.365 3.494 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N3CC[C@@H](O)c4ccccc4C3)c[n-]c12 ZINC000371567519 499342877 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CCCc1ccc(C(=O)NC2CCN(C(=O)c3cccc([O-])c3)CC2)cc1 ZINC000372026733 499390963 /nfs/dbraw/zinc/39/09/63/499390963.db2.gz RLVJSLULFQJPME-UHFFFAOYSA-N -1 3 366.461 3.379 20 0 FGADHM O=C(Cc1ccc([O-])cc1Cl)N1CCC[C@@H](c2noc(C3CC3)n2)C1 ZINC000372031723 499391393 /nfs/dbraw/zinc/39/13/93/499391393.db2.gz DCSHJJYCLSPMOE-CYBMUJFWSA-N -1 3 361.829 3.255 20 0 FGADHM Cc1nc(C)c(CCC(=O)N[C@@H](c2ccccc2)C2CCOCC2)c(=O)[n-]1 ZINC000369368316 499396374 /nfs/dbraw/zinc/39/63/74/499396374.db2.gz AHNSQUYGFCZAFB-FQEVSTJZSA-N -1 3 369.465 3.016 20 0 FGADHM O=C(Nc1ccccc1[O-])[C@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12 ZINC000373018678 499447598 /nfs/dbraw/zinc/44/75/98/499447598.db2.gz CEQGKQMHOGLGHU-DNVCBOLYSA-N -1 3 372.421 3.061 20 0 FGADHM C[C@@H]1C[C@@]2(CCO1)CN(C(=O)c1ccc3c(c1[O-])CCCC3)C[C@H](C)O2 ZINC000373748692 499486243 /nfs/dbraw/zinc/48/62/43/499486243.db2.gz TVAZPCAHLTZLQS-WIEQDCTASA-N -1 3 359.466 3.070 20 0 FGADHM CC(C)(C)C(=O)N1CCCN(Cc2cc([O-])ccc2Br)CC1 ZINC000378331357 499502327 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CCOC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2c2ccccc2OC)c([O-])c1 ZINC000412122147 499825473 /nfs/dbraw/zinc/82/54/73/499825473.db2.gz DIBOKARLGVUZEU-LSDHHAIUSA-N -1 3 355.390 3.320 20 0 FGADHM COC(=O)CCCN(Cc1ccccc1)C(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000412201451 499833317 /nfs/dbraw/zinc/83/33/17/499833317.db2.gz IKXKFTBSTCWOPB-UHFFFAOYSA-N -1 3 369.417 3.190 20 0 FGADHM CC(=O)c1ccc(C(=O)N(CCCO)Cc2cccc(Cl)c2)cc1[O-] ZINC000412246780 499837926 /nfs/dbraw/zinc/83/79/26/499837926.db2.gz GJGWVHIHYWGMRP-UHFFFAOYSA-N -1 3 361.825 3.273 20 0 FGADHM CCCCn1ncc(NC(=O)c2c[n-]c3ccncc3c2=O)c1C(C)C ZINC000412286589 499841348 /nfs/dbraw/zinc/84/13/48/499841348.db2.gz HETVVFIBIPTFPI-UHFFFAOYSA-N -1 3 353.426 3.295 20 0 FGADHM CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC000412286541 499841368 /nfs/dbraw/zinc/84/13/68/499841368.db2.gz CVUUHZMAESKYMM-UHFFFAOYSA-N -1 3 372.856 3.474 20 0 FGADHM CC(C)Cn1ccc2c1cccc2C(=O)N=c1[nH][n-]cc1Br ZINC000412339517 499846246 /nfs/dbraw/zinc/84/62/46/499846246.db2.gz PMPPDHFDRGZACD-UHFFFAOYSA-N -1 3 361.243 3.457 20 0 FGADHM CC(=O)c1ccc(C(=O)N(Cc2ccccc2)CC2(CO)CC2)cc1[O-] ZINC000412348868 499847323 /nfs/dbraw/zinc/84/73/23/499847323.db2.gz ZLYPPLXEKFCNQZ-UHFFFAOYSA-N -1 3 353.418 3.010 20 0 FGADHM O=c1[nH]c2cc(F)c(S(=O)(=O)[N-][C@H]3CCCCC34CCCC4)cc2o1 ZINC000576449640 506161742 /nfs/dbraw/zinc/16/17/42/506161742.db2.gz VSAQRZBJWYZAIV-HNNXBMFYSA-N -1 3 368.430 3.042 20 0 FGADHM O=C(CCc1ccc2ccccc2c1[O-])N1CCC(O[C@@H]2CCOC2)CC1 ZINC000573293029 506163280 /nfs/dbraw/zinc/16/32/80/506163280.db2.gz CZCRHADSFSULNM-LJQANCHMSA-N -1 3 369.461 3.275 20 0 FGADHM CC(C)(C)OC(=O)CC[C@H]1CCCN(C(=O)Cc2ccc([O-])c(F)c2)C1 ZINC000412917775 499896458 /nfs/dbraw/zinc/89/64/58/499896458.db2.gz XMQAICLMUYOPBM-CQSZACIVSA-N -1 3 365.445 3.434 20 0 FGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1cccc(CN2CCCCC2)c1 ZINC000413066461 499909418 /nfs/dbraw/zinc/90/94/18/499909418.db2.gz DAPBIZHEUOAHCD-UHFFFAOYSA-N -1 3 362.437 3.105 20 0 FGADHM 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CC[C@@H](CS(=O)(=O)[N-]c1ccnc(Oc2ccc(F)cc2F)c1)OC ZINC000421233209 499997976 /nfs/dbraw/zinc/99/79/76/499997976.db2.gz MWWVAPFCCRGQKO-ZDUSSCGKSA-N -1 3 372.393 3.319 20 0 FGADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NC[C@@H]1CC12CC2 ZINC000416263371 499999458 /nfs/dbraw/zinc/99/94/58/499999458.db2.gz YQFLMMSBSSNBCK-HKUYNNGSSA-N -1 3 364.445 3.170 20 0 FGADHM CC(C)(C)N1CCc2nc([N-]C(=O)c3ncc(F)cc3F)sc2C1 ZINC000425043669 500003043 /nfs/dbraw/zinc/00/30/43/500003043.db2.gz QYTWQXPEJXJMGO-UHFFFAOYSA-N -1 3 352.410 3.225 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N[C@@H](CO)CC3CCCCC3)c[n-]c12 ZINC000416329853 500016424 /nfs/dbraw/zinc/01/64/24/500016424.db2.gz CFRJCOOZXVYENP-OAHLLOKOSA-N -1 3 360.429 3.037 20 0 FGADHM CCOC(=O)C(CC)(CC)NCc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000429289385 500044025 /nfs/dbraw/zinc/04/40/25/500044025.db2.gz DJYNHCUYHWATQQ-UHFFFAOYSA-N -1 3 357.410 3.293 20 0 FGADHM O=S(=O)([N-]CCC1CC(F)(F)C1)c1ccc(F)cc1Br ZINC000416499464 500052181 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COc1ccc(NC(=O)CCSCc2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC000419583648 500381590 /nfs/dbraw/zinc/38/15/90/500381590.db2.gz HQTVRVMQTQRANT-UHFFFAOYSA-N -1 3 359.451 3.330 20 0 FGADHM COc1ccc(OC)c([C@H]2CCCN2C(=O)c2cc(F)cc3[n-]nnc32)c1 ZINC000431510693 500385973 /nfs/dbraw/zinc/38/59/73/500385973.db2.gz HRAUICRTOAKOTM-MRXNPFEDSA-N -1 3 370.384 3.092 20 0 FGADHM COc1ccc(OC)c([C@H]2CCCN2C(=O)c2cc(F)cc3nn[n-]c32)c1 ZINC000431510693 500385974 /nfs/dbraw/zinc/38/59/74/500385974.db2.gz HRAUICRTOAKOTM-MRXNPFEDSA-N -1 3 370.384 3.092 20 0 FGADHM COc1ccc(OC)c([C@H]2CCCN2C(=O)c2cc(F)cc3n[n-]nc32)c1 ZINC000431510693 500385975 /nfs/dbraw/zinc/38/59/75/500385975.db2.gz HRAUICRTOAKOTM-MRXNPFEDSA-N -1 3 370.384 3.092 20 0 FGADHM O=C(NCCSc1ccc(Cl)cc1)c1cc(F)cc2nn[n-]c21 ZINC000431595848 500396346 /nfs/dbraw/zinc/39/63/46/500396346.db2.gz MBLCHERMDDWJBB-UHFFFAOYSA-N -1 3 350.806 3.273 20 0 FGADHM O=C(NCCSc1ccc(Cl)cc1)c1cc(F)cc2[n-]nnc21 ZINC000431595848 500396348 /nfs/dbraw/zinc/39/63/48/500396348.db2.gz 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500422519 /nfs/dbraw/zinc/42/25/19/500422519.db2.gz QCZZVEZDRRLAGG-UHFFFAOYSA-N -1 3 356.407 3.189 20 0 FGADHM CCOc1nc2cc(C(=O)Nc3nc4c(s3)C(=O)CCC4)ccc2[n-]1 ZINC000431769826 500422522 /nfs/dbraw/zinc/42/25/22/500422522.db2.gz QCZZVEZDRRLAGG-UHFFFAOYSA-N -1 3 356.407 3.189 20 0 FGADHM O=C(c1cc(F)cc2[n-]nnc21)N1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000431824270 500429680 /nfs/dbraw/zinc/42/96/80/500429680.db2.gz SWHGIMKLFDGQTK-ZDUSSCGKSA-N -1 3 360.776 3.044 20 0 FGADHM O=C(c1cc(F)cc2nn[n-]c21)N1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000431824270 500429682 /nfs/dbraw/zinc/42/96/82/500429682.db2.gz SWHGIMKLFDGQTK-ZDUSSCGKSA-N -1 3 360.776 3.044 20 0 FGADHM O=C(c1cc(F)cc2n[n-]nc21)N1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000431824270 500429684 /nfs/dbraw/zinc/42/96/84/500429684.db2.gz SWHGIMKLFDGQTK-ZDUSSCGKSA-N -1 3 360.776 3.044 20 0 FGADHM Cc1nc(C)c(S(=O)(=O)[N-][C@H]2CCC[C@H]2OCc2ccccc2)s1 ZINC000427787742 500432503 /nfs/dbraw/zinc/43/25/03/500432503.db2.gz IBSMURAKRBJLKG-JKSUJKDBSA-N -1 3 366.508 3.176 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)[C@@H]3CCc4ccc(OC)cc43)[n-]c21 ZINC000431923436 500443409 /nfs/dbraw/zinc/44/34/09/500443409.db2.gz LSTLYFZKPKDGHA-CYBMUJFWSA-N -1 3 365.389 3.027 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@@H]3CCc4ccc(OC)cc43)nc21 ZINC000431923436 500443410 /nfs/dbraw/zinc/44/34/10/500443410.db2.gz LSTLYFZKPKDGHA-CYBMUJFWSA-N -1 3 365.389 3.027 20 0 FGADHM O=C(CNC(=O)c1cccc([O-])c1)Nc1ncc(C2CCCCC2)s1 ZINC000427906773 500444313 /nfs/dbraw/zinc/44/43/13/500444313.db2.gz RDGMDSINFKVZDT-UHFFFAOYSA-N -1 3 359.451 3.265 20 0 FGADHM O=S(=O)(CCOCC1CC1)[N-]c1ccc(OC(F)F)c(Cl)c1 ZINC000424063759 500445982 /nfs/dbraw/zinc/44/59/82/500445982.db2.gz IRTMARGOJGCRCD-UHFFFAOYSA-N -1 3 355.790 3.110 20 0 FGADHM O=C(CCSc1ccc2c(c1)OCCO2)NCc1ccc([O-])c(F)c1 ZINC000427941822 500447878 /nfs/dbraw/zinc/44/78/78/500447878.db2.gz QTPZAQZUZKLXPM-UHFFFAOYSA-N -1 3 363.410 3.101 20 0 FGADHM NC(=O)N1CCCc2ccc(NC(=O)CCCc3ccc([O-])c(F)c3)cc21 ZINC000427948350 500448995 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O=C([O-])CC[C@@H]1CCCCN1[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000424261767 500477623 /nfs/dbraw/zinc/47/76/23/500477623.db2.gz PKQMMQLAYOEHQM-BLLLJJGKSA-N -1 3 368.836 3.304 20 0 FGADHM CC(C)c1ccc(CCNC(=O)CN2CCCC[C@@H]2CCC(=O)[O-])cc1 ZINC000424267787 500478613 /nfs/dbraw/zinc/47/86/13/500478613.db2.gz YVHLXGKTQMYVKV-LJQANCHMSA-N -1 3 360.498 3.188 20 0 FGADHM COC1(C[N-]S(=O)(=O)c2cc(F)ccc2OC(F)F)CCCCC1 ZINC000420689199 500488167 /nfs/dbraw/zinc/48/81/67/500488167.db2.gz MRBBJBUANYSYAK-UHFFFAOYSA-N -1 3 367.389 3.055 20 0 FGADHM CO[C@H](CC(C)C)CS(=O)(=O)[N-][C@@H](C)c1nc(C(C)(C)C)cs1 ZINC000420684314 500488241 /nfs/dbraw/zinc/48/82/41/500488241.db2.gz WRQLTTGSYDSZEC-QWHCGFSZSA-N -1 3 362.561 3.482 20 0 FGADHM CC[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(C)c(Br)s2)CCO1 ZINC000420724669 500491951 /nfs/dbraw/zinc/49/19/51/500491951.db2.gz KXPVTSQPJBZCNG-NXEZZACHSA-N -1 3 368.318 3.055 20 0 FGADHM CC[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)c(OC)cc2Cl)CCO1 ZINC000420728396 500492268 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/nfs/dbraw/zinc/57/60/72/500576072.db2.gz GFFGVFPTKZAEMO-UHFFFAOYSA-N -1 3 350.821 3.389 20 0 FGADHM CC(=O)N(C)CCc1noc(-c2cc(CCc3ccccc3)ccc2[O-])n1 ZINC000436943036 500576102 /nfs/dbraw/zinc/57/61/02/500576102.db2.gz XORGVENGTNOLBM-UHFFFAOYSA-N -1 3 365.433 3.248 20 0 FGADHM C[C@@H](NC(=O)c1ccc2c(c1[O-])CCCC2)c1ccc(-n2cncn2)cc1 ZINC000436945926 500576883 /nfs/dbraw/zinc/57/68/83/500576883.db2.gz HIQQZXQIOYNTEC-CQSZACIVSA-N -1 3 362.433 3.343 20 0 FGADHM COC(=O)COc1ccc(NC(=O)c2ccc3c(c2[O-])CCCC3)c(C)c1 ZINC000436958295 500579272 /nfs/dbraw/zinc/57/92/72/500579272.db2.gz GGINNGPYFWXNLE-UHFFFAOYSA-N -1 3 369.417 3.384 20 0 FGADHM CN1CC[C@H]2CCN(C(=O)c3cc(Cc4ccccc4)ccc3[O-])[C@@H]2C1 ZINC000436963828 500581072 /nfs/dbraw/zinc/58/10/72/500581072.db2.gz HPKFFAGXAWPOFI-AZUAARDMSA-N -1 3 350.462 3.149 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)NC[C@@H](C)c2cccc(C)c2)c([O-])c1 ZINC000436969374 500582423 /nfs/dbraw/zinc/58/24/23/500582423.db2.gz IHGLZHRMFBZEEZ-MRXNPFEDSA-N -1 3 354.450 3.049 20 0 FGADHM CN(C)[C@@H](C(=O)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1)c1ccccc1 ZINC000436984847 500586821 /nfs/dbraw/zinc/58/68/21/500586821.db2.gz NRWOHCCQUKRAQL-OAHLLOKOSA-N -1 3 371.828 3.072 20 0 FGADHM CCCCOc1ccc(C(=O)N[C@H](C)C(=O)Nc2ccccc2)c([O-])c1 ZINC000436987649 500587020 /nfs/dbraw/zinc/58/70/20/500587020.db2.gz UNOLBWNXDDCQIC-CQSZACIVSA-N -1 3 356.422 3.328 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2C[C@H](C)C[C@H](C)[C@H]2C)c1 ZINC000436984563 500587093 /nfs/dbraw/zinc/58/70/93/500587093.db2.gz CEXBROAXAOPBIN-FRRDWIJNSA-N -1 3 371.437 3.448 20 0 FGADHM CC1CCN(CCc2cccc(NC(=O)C(=O)c3ccc([O-])cc3)c2)CC1 ZINC000436994228 500588548 /nfs/dbraw/zinc/58/85/48/500588548.db2.gz LJSZKABUWQJUAB-UHFFFAOYSA-N -1 3 366.461 3.488 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)c([O-])c1 ZINC000437000755 500590723 /nfs/dbraw/zinc/59/07/23/500590723.db2.gz AYPSQDJOIFCGLX-JCNLHEQBSA-N -1 3 370.424 3.022 20 0 FGADHM C[C@]12CCN(C(=O)Cc3ccc(Br)cc3[O-])C[C@H]1C2(F)F ZINC000573500804 506204919 /nfs/dbraw/zinc/20/49/19/506204919.db2.gz UAIZUISFIUDKJR-OCCSQVGLSA-N -1 3 360.198 3.201 20 0 FGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]C1CCC(C(C)C)CC1 ZINC000442740683 500618322 /nfs/dbraw/zinc/61/83/22/500618322.db2.gz VUHBMXSXONHESS-UHFFFAOYSA-N -1 3 359.513 3.336 20 0 FGADHM O=S(=O)([N-]Cc1ccc2ccccc2n1)c1cnccc1C(F)(F)F ZINC000442755449 500620465 /nfs/dbraw/zinc/62/04/65/500620465.db2.gz SKTHPKWYOVMPOU-UHFFFAOYSA-N -1 3 367.352 3.127 20 0 FGADHM Cc1csc([C@H]([N-]S(=O)(=O)c2cnc3ccsc3c2)C2CC2)n1 ZINC000437248556 500620515 /nfs/dbraw/zinc/62/05/15/500620515.db2.gz RVUBDGFOWPNRFR-CQSZACIVSA-N -1 3 365.505 3.491 20 0 FGADHM O=C(Nc1nnc(SCc2ccccc2)s1)c1c([O-])cccc1O ZINC000447552838 500622650 /nfs/dbraw/zinc/62/26/50/500622650.db2.gz OZWFKQCQXJOUEY-UHFFFAOYSA-N -1 3 359.432 3.494 20 0 FGADHM O=C([N-]c1n[nH]c(-c2ccncc2)n1)c1cnc(-c2ccsc2)s1 ZINC000433090035 500623892 /nfs/dbraw/zinc/62/38/92/500623892.db2.gz HLRWBSVNHWRCGX-UHFFFAOYSA-N -1 3 354.420 3.304 20 0 FGADHM CO[C@H](C)c1nc(C[N-]S(=O)(=O)c2cccc(Cl)c2F)cs1 ZINC000437298501 500625728 /nfs/dbraw/zinc/62/57/28/500625728.db2.gz JTHKHTHOCWBMCR-MRVPVSSYSA-N -1 3 364.851 3.122 20 0 FGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@@H](C)Cc1cc(C)cc(C)c1 ZINC000442812461 500629173 /nfs/dbraw/zinc/62/91/73/500629173.db2.gz RKNGOFZZMGSNHL-ZDUSSCGKSA-N -1 3 367.492 3.061 20 0 FGADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)[C@@H]3CCCC3(C)C)c2)[n-]1 ZINC000447675860 500643645 /nfs/dbraw/zinc/64/36/45/500643645.db2.gz AIARKGBOSWNKGX-HNNXBMFYSA-N -1 3 370.453 3.091 20 0 FGADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)[C@@H]3CCCC3(C)C)c2)n[n-]1 ZINC000447675860 500643648 /nfs/dbraw/zinc/64/36/48/500643648.db2.gz AIARKGBOSWNKGX-HNNXBMFYSA-N -1 3 370.453 3.091 20 0 FGADHM CO[C@@H]1CCN(C(=O)c2ccc(C(=O)c3cccc([O-])c3)cc2)[C@@H](C)C1 ZINC000442899000 500643848 /nfs/dbraw/zinc/64/38/48/500643848.db2.gz MKFHKTMBMGBFPY-IFXJQAMLSA-N -1 3 353.418 3.263 20 0 FGADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)CCC(C)(C)C)c2)[n-]1 ZINC000447681612 500644412 /nfs/dbraw/zinc/64/44/12/500644412.db2.gz PWACFHOITNAFCG-UHFFFAOYSA-N -1 3 358.442 3.091 20 0 FGADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)CCC(C)(C)C)c2)n[n-]1 ZINC000447681612 500644413 /nfs/dbraw/zinc/64/44/13/500644413.db2.gz PWACFHOITNAFCG-UHFFFAOYSA-N -1 3 358.442 3.091 20 0 FGADHM CC(C)(C)CS(=O)(=O)[N-][C@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000442912888 500645519 /nfs/dbraw/zinc/64/55/19/500645519.db2.gz OMOKQCRVSGKXTC-KRWDZBQOSA-N -1 3 360.479 3.332 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](c2cc(F)ccc2F)C(F)F)c1 ZINC000447720248 500652217 /nfs/dbraw/zinc/65/22/17/500652217.db2.gz QUQNRBALTCRNDB-HNNXBMFYSA-N -1 3 370.302 3.365 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)NCc2cc(F)c(Cl)cc2F)c1 ZINC000447743233 500656901 /nfs/dbraw/zinc/65/69/01/500656901.db2.gz GUIKFKFFVSRJRY-UHFFFAOYSA-N -1 3 354.740 3.212 20 0 FGADHM COc1cc(C(=O)N[C@@H](C)c2nc(-c3ccc(C)c(F)c3)no2)ccc1[O-] ZINC000443056422 500670274 /nfs/dbraw/zinc/67/02/74/500670274.db2.gz YQJCHSLFMPNPIK-NSHDSACASA-N -1 3 371.368 3.389 20 0 FGADHM COc1cc2nc(-c3ccc(OCC(F)F)cn3)[n-]c(=O)c2c(OC)c1 ZINC000443061197 500671389 /nfs/dbraw/zinc/67/13/89/500671389.db2.gz RDGVVBCQLLSEOX-UHFFFAOYSA-N -1 3 363.320 3.059 20 0 FGADHM COc1cc(C(=O)N[C@H](C)c2cnn(Cc3ccccc3)c2)ccc1[O-] ZINC000443060317 500671614 /nfs/dbraw/zinc/67/16/14/500671614.db2.gz GBWUUEONBBIHLW-CQSZACIVSA-N -1 3 351.406 3.137 20 0 FGADHM CCC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccsc1C(=O)OC ZINC000443065334 500672170 /nfs/dbraw/zinc/67/21/70/500672170.db2.gz FEGSIVCSPUQQQL-AWEZNQCLSA-N -1 3 367.492 3.224 20 0 FGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@H]1CCC[C@@H]1CCC(C)C ZINC000443073913 500675473 /nfs/dbraw/zinc/67/54/73/500675473.db2.gz UYJWYFUTGSYKQC-OLZOCXBDSA-N -1 3 359.513 3.418 20 0 FGADHM COc1cc(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)cc(Cl)c1[O-] ZINC000443079646 500676291 /nfs/dbraw/zinc/67/62/91/500676291.db2.gz ZXKQNXAJBZIFEG-NVXWUHKLSA-N -1 3 360.841 3.229 20 0 FGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@H](c1ccccc1C)C1CC1 ZINC000443084799 500677429 /nfs/dbraw/zinc/67/74/29/500677429.db2.gz ICQFBGMIBBAIHJ-HNNXBMFYSA-N -1 3 365.476 3.273 20 0 FGADHM Cc1ccc(-c2nnc(NC(=O)CO[C@@H]3CCCc4ccccc43)[n-]2)o1 ZINC000437666228 500679204 /nfs/dbraw/zinc/67/92/04/500679204.db2.gz JRIONAKBMPSTGX-OAHLLOKOSA-N -1 3 352.394 3.406 20 0 FGADHM Cc1ccc(-c2n[n-]c(NC(=O)CO[C@@H]3CCCc4ccccc43)n2)o1 ZINC000437666228 500679207 /nfs/dbraw/zinc/67/92/07/500679207.db2.gz JRIONAKBMPSTGX-OAHLLOKOSA-N -1 3 352.394 3.406 20 0 FGADHM Cc1ccc(-c2nc(NC(=O)CO[C@@H]3CCCc4ccccc43)n[n-]2)o1 ZINC000437666228 500679210 /nfs/dbraw/zinc/67/92/10/500679210.db2.gz JRIONAKBMPSTGX-OAHLLOKOSA-N -1 3 352.394 3.406 20 0 FGADHM CCc1ccc(C[N-]S(=O)(=O)c2cc(Cl)ccc2C(=O)OC)s1 ZINC000443106033 500680461 /nfs/dbraw/zinc/68/04/61/500680461.db2.gz HZNHYMRSWRQUKL-UHFFFAOYSA-N -1 3 373.883 3.229 20 0 FGADHM COC(=O)c1sccc1S(=O)(=O)[N-]CC(C)(C)Cc1ccccc1 ZINC000443121193 500683042 /nfs/dbraw/zinc/68/30/42/500683042.db2.gz QYKQOYLJWBRTJU-UHFFFAOYSA-N -1 3 367.492 3.082 20 0 FGADHM O=S(=O)([N-]C[C@@H]1CCSC1)c1cc(Br)ccc1Cl ZINC000447935541 500692833 /nfs/dbraw/zinc/69/28/33/500692833.db2.gz HUKCCRNIRHHGAG-QMMMGPOBSA-N -1 3 370.721 3.134 20 0 FGADHM CC[C@H](C[C@@H](C)CO)NC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000437738187 500688288 /nfs/dbraw/zinc/68/82/88/500688288.db2.gz RIEMYNRXUHVMEZ-IUODEOHRSA-N -1 3 358.442 3.076 20 0 FGADHM COc1cc(Cl)c(S(=O)(=O)[N-]C[C@H]2CCSC2)cc1Cl ZINC000447932719 500691581 /nfs/dbraw/zinc/69/15/81/500691581.db2.gz SXPGFBWCRAMFHX-MRVPVSSYSA-N -1 3 356.296 3.033 20 0 FGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H]2CCCC[C@@H]2O)c1Cl ZINC000443242635 500700336 /nfs/dbraw/zinc/70/03/36/500700336.db2.gz DQWPJAAVQPLDBE-PWSUYJOCSA-N -1 3 352.283 3.131 20 0 FGADHM O=S(=O)([N-]C[C@H]1CCC[C@H](O)C1)c1c(Cl)ccc2ccccc21 ZINC000443239781 500700589 /nfs/dbraw/zinc/70/05/89/500700589.db2.gz ZOUZWSKIGQTVFE-JSGCOSHPSA-N -1 3 353.871 3.323 20 0 FGADHM CCCC(O)(CCC)C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000443265225 500701815 /nfs/dbraw/zinc/70/18/15/500701815.db2.gz AFTUJFROSZTLFU-UHFFFAOYSA-N -1 3 371.396 3.454 20 0 FGADHM O=S(=O)([N-][C@H](CO)c1ccc(F)cc1)c1cc(Cl)ccc1Cl ZINC000443272385 500702611 /nfs/dbraw/zinc/70/26/11/500702611.db2.gz MCASSORZYIBFDL-CYBMUJFWSA-N -1 3 364.225 3.144 20 0 FGADHM CCC(CC)(CCO)C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000443334154 500711206 /nfs/dbraw/zinc/71/12/06/500711206.db2.gz PYRWFIMTFBXOON-UHFFFAOYSA-N -1 3 354.299 3.461 20 0 FGADHM Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1cc(=O)c2ccccc2[n-]1)N(C)C ZINC000443401052 500718732 /nfs/dbraw/zinc/71/87/32/500718732.db2.gz YEIJOXRYPILGCC-QVKFZJNVSA-N -1 3 363.461 3.258 20 0 FGADHM COC(=O)c1[n-]c(=NCc2ccc(NC(=O)c3ccco3)cc2)sc1C ZINC000433621527 500722733 /nfs/dbraw/zinc/72/27/33/500722733.db2.gz JSHGSYBHKCVWEK-UHFFFAOYSA-N -1 3 371.418 3.117 20 0 FGADHM C[C@@H]1CN(Cc2ccccc2NCc2cc(=O)[n-]c(C3CC3)n2)C[C@@H](C)O1 ZINC000573547900 506210600 /nfs/dbraw/zinc/21/06/00/506210600.db2.gz SSQGYSNXDGOEPX-HUUCEWRRSA-N -1 3 368.481 3.281 20 0 FGADHM Cc1nc(C)c(S(=O)(=O)[N-]Cc2ccc(C(F)(F)F)cc2)s1 ZINC000433637531 500724351 /nfs/dbraw/zinc/72/43/51/500724351.db2.gz PJIVJVWCOZFYGB-UHFFFAOYSA-N -1 3 350.387 3.257 20 0 FGADHM Cc1nc(C)c(S(=O)(=O)[N-][C@H](C)c2ccccc2OC(F)F)s1 ZINC000433655121 500726375 /nfs/dbraw/zinc/72/63/75/500726375.db2.gz FPQIFBFNONNDSK-MRVPVSSYSA-N -1 3 362.423 3.401 20 0 FGADHM C[C@H](C[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1)Cn1cccn1 ZINC000433652502 500726501 /nfs/dbraw/zinc/72/65/01/500726501.db2.gz YDFDNVYBDQYHIZ-LLVKDONJSA-N -1 3 369.899 3.366 20 0 FGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](CO)CC(C)(C)C)c1Cl ZINC000443502954 500731359 /nfs/dbraw/zinc/73/13/59/500731359.db2.gz XOMKJUBJGTXESR-JTQLQIEISA-N -1 3 354.299 3.377 20 0 FGADHM COc1cc(C(=O)N(CCc2ccccn2)Cc2ccncc2)ccc1[O-] ZINC000438089155 500736192 /nfs/dbraw/zinc/73/61/92/500736192.db2.gz TWTWFTFEGIVYNY-UHFFFAOYSA-N -1 3 363.417 3.076 20 0 FGADHM CN(CC(=O)Nc1ccc(OC(F)(F)F)cc1[O-])Cc1ccccc1 ZINC000443558599 500737562 /nfs/dbraw/zinc/73/75/62/500737562.db2.gz MIUVEBUGJQOYLH-UHFFFAOYSA-N -1 3 354.328 3.361 20 0 FGADHM O=C(Nc1ccc(OC(F)(F)F)cc1[O-])c1ccc(-n2ccnn2)cc1 ZINC000443559430 500737958 /nfs/dbraw/zinc/73/79/58/500737958.db2.gz NXPXJMYFJVMNBJ-UHFFFAOYSA-N -1 3 364.283 3.124 20 0 FGADHM COC(=O)c1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2[O-])cc1 ZINC000443570731 500739972 /nfs/dbraw/zinc/73/99/72/500739972.db2.gz XQABFQFFIYWGMU-UHFFFAOYSA-N -1 3 355.268 3.330 20 0 FGADHM COCCN(Cc1cc([O-])ccc1Br)[C@@H]1CCCSC1 ZINC000448353068 500751773 /nfs/dbraw/zinc/75/17/73/500751773.db2.gz FSKSDCKEGLNQDA-CYBMUJFWSA-N -1 3 360.317 3.499 20 0 FGADHM COc1ccc(Br)c(S(=O)(=O)[N-][C@H](C)CC(C)C)c1 ZINC000443723132 500758621 /nfs/dbraw/zinc/75/86/21/500758621.db2.gz YOIBJPULSDETNI-SNVBAGLBSA-N -1 3 350.278 3.171 20 0 FGADHM CCN(CC)c1nc2sc(-c3nc(-c4cc(=O)[n-]cn4)no3)cc2s1 ZINC000570718050 506215098 /nfs/dbraw/zinc/21/50/98/506215098.db2.gz MNLHCXUNPXIHEN-UHFFFAOYSA-N -1 3 374.451 3.417 20 0 FGADHM O=C(N=c1cc(-c2ccccc2F)o[n-]1)[C@H]1CC(=O)Nc2cc(F)ccc21 ZINC000448491136 500764842 /nfs/dbraw/zinc/76/48/42/500764842.db2.gz GCUJBYRTYWNHTA-ZDUSSCGKSA-N -1 3 369.327 3.106 20 0 FGADHM CN(C(=O)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O)C1CCCC1 ZINC000443912391 500777318 /nfs/dbraw/zinc/77/73/18/500777318.db2.gz ARTSFKLQABQGSV-UHFFFAOYSA-N -1 3 354.328 3.441 20 0 FGADHM CCOc1cc2c(cc1CNC(=O)Cc1ccc([O-])c(F)c1)O[C@@H](C)C2 ZINC000448597084 500781085 /nfs/dbraw/zinc/78/10/85/500781085.db2.gz WIMFDERUQVGCHL-LBPRGKRZSA-N -1 3 359.397 3.112 20 0 FGADHM COC(=O)c1nscc1S(=O)(=O)[N-]CC[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000443940538 500781336 /nfs/dbraw/zinc/78/13/36/500781336.db2.gz ITFOPRVMMJXMHR-VXGBXAGGSA-N -1 3 374.528 3.061 20 0 FGADHM O=C(Nc1n[n-]c(-c2ccc(Br)cc2F)n1)[C@@H]1C[C@@H]1C1CC1 ZINC000434071067 500790817 /nfs/dbraw/zinc/79/08/17/500790817.db2.gz IFFZUSRIAOYHIN-GHMZBOCLSA-N -1 3 365.206 3.358 20 0 FGADHM CC[C@@H](CC(F)(F)F)C(=O)Nc1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000448641901 500793218 /nfs/dbraw/zinc/79/32/18/500793218.db2.gz YTLJKCDWARKLRF-QMMMGPOBSA-N -1 3 356.341 3.114 20 0 FGADHM 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0 FGADHM CC[C@H](NC(=O)c1ccc(C(C)=O)c([O-])c1)c1ccc2c(c1)OCCO2 ZINC000436595652 501165758 /nfs/dbraw/zinc/16/57/58/501165758.db2.gz MMJUAEMBWRDLPL-INIZCTEOSA-N -1 3 355.390 3.247 20 0 FGADHM COc1cc([C@@H](C)NC(=O)c2ccc(C(C)C)cc2[O-])ccc1OCCO ZINC000436596486 501165959 /nfs/dbraw/zinc/16/59/59/501165959.db2.gz MKCSQCAENGWEKT-CQSZACIVSA-N -1 3 373.449 3.386 20 0 FGADHM COc1cc([C@H](C)NC(=O)c2ccc(C(C)C)cc2[O-])ccc1OCCO ZINC000436596485 501166154 /nfs/dbraw/zinc/16/61/54/501166154.db2.gz MKCSQCAENGWEKT-AWEZNQCLSA-N -1 3 373.449 3.386 20 0 FGADHM COC(=O)C1(N(C)C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)CCCCC1 ZINC000436606386 501168363 /nfs/dbraw/zinc/16/83/63/501168363.db2.gz QWPUOFFWESWQDA-UHFFFAOYSA-N -1 3 361.438 3.054 20 0 FGADHM COC(=O)C[C@@H]1CCCN1C(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436609251 501169179 /nfs/dbraw/zinc/16/91/79/501169179.db2.gz VSTVHRUKWOHATP-INIZCTEOSA-N -1 3 369.417 3.139 20 0 FGADHM NC(=O)COc1ccc(-c2nc(-c3ccc([O-])c4ccccc34)no2)cc1 ZINC000436613595 501169652 /nfs/dbraw/zinc/16/96/52/501169652.db2.gz WJMAFJKLQMKELT-UHFFFAOYSA-N -1 3 361.357 3.127 20 0 FGADHM Cc1ccc(-c2noc([C@H](C)NC(=O)c3ccc(O)cc3[O-])n2)cc1F ZINC000436621513 501171629 /nfs/dbraw/zinc/17/16/29/501171629.db2.gz BPCLTLQUZFBTAR-JTQLQIEISA-N -1 3 357.341 3.086 20 0 FGADHM CC[C@@H]1CN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C[C@@H](C)[S@@]1=O ZINC000436621317 501171914 /nfs/dbraw/zinc/17/19/14/501171914.db2.gz BFMKRCIEQVIDGA-WHFJQLBOSA-N -1 3 371.502 3.355 20 0 FGADHM O=C(NCc1ccc(Br)cc1Cl)c1c([O-])cccc1O ZINC000436645154 501177141 /nfs/dbraw/zinc/17/71/41/501177141.db2.gz BBSYMIVDUYQEQF-UHFFFAOYSA-N -1 3 356.603 3.444 20 0 FGADHM O=C(c1c([O-])cccc1O)N1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000436647103 501177789 /nfs/dbraw/zinc/17/77/89/501177789.db2.gz KFUSZNKUBHSMDX-NSHDSACASA-N -1 3 356.353 3.398 20 0 FGADHM CCC[C@@]1(CO)CCCN1Cc1ccc(OC)c([O-])c1Br ZINC000446896559 501179449 /nfs/dbraw/zinc/17/94/49/501179449.db2.gz ORDBVEQMPWYTGE-INIZCTEOSA-N -1 3 358.276 3.290 20 0 FGADHM CC1(C)Cc2ccc(C(=O)NC[C@H]3CCOc4ccccc43)c([O-])c2O1 ZINC000436671997 501184104 /nfs/dbraw/zinc/18/41/04/501184104.db2.gz KXNDCQXAYJNNHP-CQSZACIVSA-N -1 3 353.418 3.402 20 0 FGADHM COc1ccccc1[C@H](CNC(=O)Cc1ccc([O-])c(F)c1)OC(C)C ZINC000450684629 501185191 /nfs/dbraw/zinc/18/51/91/501185191.db2.gz JTPHOYCGIFIHME-IBGZPJMESA-N -1 3 361.413 3.365 20 0 FGADHM CC(C)c1nnc(-c2ccccc2NC(=O)C(=O)c2ccc([O-])cc2)[nH]1 ZINC000436678704 501186181 /nfs/dbraw/zinc/18/61/81/501186181.db2.gz IOIUXKKLMOJRAP-UHFFFAOYSA-N -1 3 350.378 3.122 20 0 FGADHM Cc1ccccc1N1CCN(C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)CC1 ZINC000436683930 501187578 /nfs/dbraw/zinc/18/75/78/501187578.db2.gz WSHVYZHXTOPNQW-UHFFFAOYSA-N -1 3 366.461 3.377 20 0 FGADHM Cc1ccc(C(=O)NCCc2nc(CCCc3ccsc3)no2)c([O-])c1 ZINC000436689292 501188580 /nfs/dbraw/zinc/18/85/80/501188580.db2.gz NHMYYXCPMVMEKZ-UHFFFAOYSA-N -1 3 371.462 3.293 20 0 FGADHM C[C@H](NC(=O)c1cc2c(cc1[O-])CCCC2)c1ccc([S@@](C)=O)cc1 ZINC000436689207 501188608 /nfs/dbraw/zinc/18/86/08/501188608.db2.gz WCZMBHGGGMHAOA-ZJWNCGCPSA-N -1 3 357.475 3.499 20 0 FGADHM Cc1ccc(C(=O)NCCc2nc(C[C@H](C)c3ccccc3)no2)c([O-])c1 ZINC000436692273 501189656 /nfs/dbraw/zinc/18/96/56/501189656.db2.gz WLPPKTXMPXNVBM-HNNXBMFYSA-N -1 3 365.433 3.402 20 0 FGADHM CCCS(=O)(=O)Nc1cccc(NC(=O)c2ccc([O-])c(CC)c2)c1 ZINC000436696647 501190952 /nfs/dbraw/zinc/19/09/52/501190952.db2.gz JZZGFBVZPUTYNT-UHFFFAOYSA-N -1 3 362.451 3.359 20 0 FGADHM CCc1ccc(C(=O)Nc2cccnc2SCCC(=O)OC)c([O-])c1 ZINC000436702133 501191191 /nfs/dbraw/zinc/19/11/91/501191191.db2.gz BVUZRKFMXQHNFC-UHFFFAOYSA-N -1 3 360.435 3.257 20 0 FGADHM O=c1[n-]nc(SCc2nnc(C3CC3)s2)n1CCc1ccccc1 ZINC000450708888 501191296 /nfs/dbraw/zinc/19/12/96/501191296.db2.gz RULDBTOLBOKSFS-UHFFFAOYSA-N -1 3 359.480 3.248 20 0 FGADHM Cc1cccc(C(=O)N[C@@H]2CCCN([C@@H](C)c3ccc(F)cc3)C2=O)c1[O-] ZINC000436701022 501191754 /nfs/dbraw/zinc/19/17/54/501191754.db2.gz XVTVFWAIIQMNBY-KBXCAEBGSA-N -1 3 370.424 3.322 20 0 FGADHM COC(=O)CCSc1ncccc1NC(=O)c1ccc(C)c(C)c1[O-] ZINC000436704083 501192275 /nfs/dbraw/zinc/19/22/75/501192275.db2.gz JADDDQDHZXDJPL-UHFFFAOYSA-N -1 3 360.435 3.312 20 0 FGADHM COC(=O)C[C@@](C)(NC(=O)c1ccc(C(C)C)cc1[O-])c1ccccn1 ZINC000436705587 501192322 /nfs/dbraw/zinc/19/23/22/501192322.db2.gz PQIFVFJQYFGUQX-HXUWFJFHSA-N -1 3 356.422 3.119 20 0 FGADHM COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)c2ccc(C)cc2[O-])C1 ZINC000436705984 501192895 /nfs/dbraw/zinc/19/28/95/501192895.db2.gz BMOQNXTZBTWPKL-CQSZACIVSA-N -1 3 360.841 3.371 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N2CCC[C@@H]2c2ccccc2C)c([O-])c1 ZINC000436710451 501193700 /nfs/dbraw/zinc/19/37/00/501193700.db2.gz UKVMZCVWHTXJKC-LJQANCHMSA-N -1 3 366.461 3.493 20 0 FGADHM Cc1ccc(C(=O)NC2CCN(C(=O)NC3CCCCC3)CC2)c([O-])c1C ZINC000436715048 501194590 /nfs/dbraw/zinc/19/45/90/501194590.db2.gz HMDHHEUIQWLFEJ-UHFFFAOYSA-N -1 3 373.497 3.246 20 0 FGADHM COCCOc1c(Cl)cccc1NC(=O)c1cc(OC)ccc1[O-] ZINC000436718264 501196197 /nfs/dbraw/zinc/19/61/97/501196197.db2.gz JXSUCJFXBAPSHN-UHFFFAOYSA-N -1 3 351.786 3.332 20 0 FGADHM C[C@@H](NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F)c1ccc(F)cc1 ZINC000442102067 501197169 /nfs/dbraw/zinc/19/71/69/501197169.db2.gz VUZJZLYLSYJCBP-LLVKDONJSA-N -1 3 374.840 3.247 20 0 FGADHM COc1ccc(C(=O)N2CCc3c(ncn3-c3ccc(C)cc3)C2)c([O-])c1 ZINC000436734934 501199801 /nfs/dbraw/zinc/19/98/01/501199801.db2.gz FOVNNIXIOYWUIX-UHFFFAOYSA-N -1 3 363.417 3.093 20 0 FGADHM O=C(Nc1cccc2c1CN(CC(F)(F)F)C2)c1c([O-])cccc1O ZINC000436735454 501200683 /nfs/dbraw/zinc/20/06/83/501200683.db2.gz FZSNTGMXWOSSJL-UHFFFAOYSA-N -1 3 352.312 3.228 20 0 FGADHM CCc1ccc(C(=O)N[C@@H](C)C2CCN(CC(F)(F)F)CC2)c([O-])c1 ZINC000436741983 501202092 /nfs/dbraw/zinc/20/20/92/501202092.db2.gz WJJNUKNDULNRDM-LBPRGKRZSA-N -1 3 358.404 3.347 20 0 FGADHM CCN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436741862 501202454 /nfs/dbraw/zinc/20/24/54/501202454.db2.gz DEQZQMAQWQXQPQ-UHFFFAOYSA-N -1 3 369.417 3.497 20 0 FGADHM COc1ccc([C@@H](CNC(=O)c2ccc(F)cc2[O-])N2CCCC2)cc1 ZINC000436756587 501206205 /nfs/dbraw/zinc/20/62/05/501206205.db2.gz RUNQBYUXCDGZKI-GOSISDBHSA-N -1 3 358.413 3.107 20 0 FGADHM Cc1ccc(C(=O)Nc2cccc(NC(=O)[C@H](C)n3cccn3)c2)c([O-])c1 ZINC000436760934 501206804 /nfs/dbraw/zinc/20/68/04/501206804.db2.gz UKLVEOSODFFSOV-AWEZNQCLSA-N -1 3 364.405 3.349 20 0 FGADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CCO[C@H](Cc2ccccc2)C1 ZINC000436768227 501208840 /nfs/dbraw/zinc/20/88/40/501208840.db2.gz HYALICDGZIJFAJ-LJQANCHMSA-N -1 3 351.446 3.355 20 0 FGADHM CC1(C)Cc2ccc(C(=O)NC[C@H]3CCN(c4ccccc4)C3)c([O-])c2O1 ZINC000436776481 501209266 /nfs/dbraw/zinc/20/92/66/501209266.db2.gz JHRIHIDIOLDHLK-OAHLLOKOSA-N -1 3 366.461 3.362 20 0 FGADHM CN(C)[C@H](CNC(=O)c1ccc2c(c1[O-])OC(C)(C)C2)c1cccs1 ZINC000436779167 501210121 /nfs/dbraw/zinc/21/01/21/501210121.db2.gz UJMMCTFXJGNPLE-CQSZACIVSA-N -1 3 360.479 3.200 20 0 FGADHM C[C@@H]1CN(c2ccc(Cl)c(F)c2)CCN1C(=O)c1ccc(O)cc1[O-] ZINC000436805958 501214434 /nfs/dbraw/zinc/21/44/34/501214434.db2.gz GHOGSBWQEJFYQT-LLVKDONJSA-N -1 3 364.804 3.241 20 0 FGADHM CCc1ccc(C(=O)N[C@@H](CN2CCCC2=O)c2ccccc2)c([O-])c1 ZINC000436815741 501216157 /nfs/dbraw/zinc/21/61/57/501216157.db2.gz XQXWZIUSQFZEKB-SFHVURJKSA-N -1 3 352.434 3.048 20 0 FGADHM CCOC(=O)C[C@H](C)N(C)C(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436827086 501217682 /nfs/dbraw/zinc/21/76/82/501217682.db2.gz MQMDBWUFMPOMAL-HNNXBMFYSA-N -1 3 371.433 3.385 20 0 FGADHM COC(=O)[C@@H](NC(=O)c1ccc(O)cc1[O-])c1ccc(Cl)cc1Cl ZINC000436831447 501218177 /nfs/dbraw/zinc/21/81/77/501218177.db2.gz GICCCNFWMRBPOR-AWEZNQCLSA-N -1 3 370.188 3.049 20 0 FGADHM CCc1ccc(C(=O)N(C)[C@@H]2CCCN(c3ccccc3)C2=O)c([O-])c1 ZINC000436835891 501219101 /nfs/dbraw/zinc/21/91/01/501219101.db2.gz XRFIUGHWEPJRSC-GOSISDBHSA-N -1 3 352.434 3.222 20 0 FGADHM Cc1cc2nc(N3CCN(C(=O)c4ccccc4[O-])CC3)oc2c(C)c1 ZINC000450251999 501219484 /nfs/dbraw/zinc/21/94/84/501219484.db2.gz WUQWHCBHELOKSD-UHFFFAOYSA-N -1 3 351.406 3.113 20 0 FGADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCC(O)(C(F)F)CC1 ZINC000436838891 501219605 /nfs/dbraw/zinc/21/96/05/501219605.db2.gz RYKSSFIAWBAGFH-UHFFFAOYSA-N -1 3 361.388 3.215 20 0 FGADHM CC(=O)c1ccc(C(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)cc1[O-] ZINC000436851808 501220956 /nfs/dbraw/zinc/22/09/56/501220956.db2.gz MXKKETQIWBNZDS-UHFFFAOYSA-N -1 3 372.852 3.206 20 0 FGADHM COc1ccc(C(=O)Nc2ccc(OCCN3CCCC3)c(C)c2)c([O-])c1 ZINC000436870413 501224931 /nfs/dbraw/zinc/22/49/31/501224931.db2.gz DZILULMVIIXLTP-UHFFFAOYSA-N -1 3 370.449 3.436 20 0 FGADHM CCOCCOC1CN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC000436876069 501225661 /nfs/dbraw/zinc/22/56/61/501225661.db2.gz ZVLYTQINQDZZPF-UHFFFAOYSA-N -1 3 357.406 3.062 20 0 FGADHM COc1cc(-c2noc(-c3cncn3-c3ccc(F)cc3)n2)ccc1[O-] ZINC000436878904 501225992 /nfs/dbraw/zinc/22/59/92/501225992.db2.gz VMEAQRAESJXRPS-UHFFFAOYSA-N -1 3 352.325 3.443 20 0 FGADHM COc1cc(-c2noc([C@@H]3CC(=O)Nc4cc(F)ccc43)n2)ccc1[O-] ZINC000436896458 501229026 /nfs/dbraw/zinc/22/90/26/501229026.db2.gz MUIDFUSVZBJEDQ-GFCCVEGCSA-N -1 3 355.325 3.064 20 0 FGADHM Cc1cccc(C(=O)N[C@@H]2CCCN([C@H](C)c3ccccc3F)C2=O)c1[O-] ZINC000436900618 501229798 /nfs/dbraw/zinc/22/97/98/501229798.db2.gz DECYRPLGFVLYFO-RDTXWAMCSA-N -1 3 370.424 3.322 20 0 FGADHM CCc1ccc(C(=O)Nc2cccc(N3C(=O)N[C@@H](CC)C3=O)c2)c([O-])c1 ZINC000436915479 501232003 /nfs/dbraw/zinc/23/20/03/501232003.db2.gz QQDMQLJMPHHVNR-INIZCTEOSA-N -1 3 367.405 3.042 20 0 FGADHM O=C(Nc1ccn(-c2ccncc2)n1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436922211 501233399 /nfs/dbraw/zinc/23/33/99/501233399.db2.gz ZLVOULLAEJEFFR-UHFFFAOYSA-N -1 3 370.412 3.238 20 0 FGADHM O=C(NCc1nc2ccc(F)cc2[nH]1)c1cc(Br)ccc1[O-] ZINC000436920106 501233496 /nfs/dbraw/zinc/23/34/96/501233496.db2.gz NUOUPFUPBIEJHC-UHFFFAOYSA-N -1 3 364.174 3.100 20 0 FGADHM COc1ccc([N-]S(=O)(=O)C[C@H](OC)c2ccccc2)cc1Cl ZINC000450964447 501235578 /nfs/dbraw/zinc/23/55/78/501235578.db2.gz FFRSORAAGYMMFD-INIZCTEOSA-N -1 3 355.843 3.478 20 0 FGADHM CCOc1cc([N-]S(=O)(=O)C[C@@H](OC)c2ccccc2)ccc1OC ZINC000450987770 501237120 /nfs/dbraw/zinc/23/71/20/501237120.db2.gz MMWUCGMSSBZBAK-GOSISDBHSA-N -1 3 365.451 3.223 20 0 FGADHM CCOc1ccncc1S(=O)(=O)[N-][C@@H](C)c1ccccc1OC(F)F ZINC000451039978 501241208 /nfs/dbraw/zinc/24/12/08/501241208.db2.gz QKWUSOBFAJCBED-NSHDSACASA-N -1 3 372.393 3.121 20 0 FGADHM CCOc1ccncc1S(=O)(=O)[N-][C@H](C)c1ccccc1OC(F)F ZINC000451039977 501241286 /nfs/dbraw/zinc/24/12/86/501241286.db2.gz QKWUSOBFAJCBED-LLVKDONJSA-N -1 3 372.393 3.121 20 0 FGADHM CCOc1ccc(S(=O)(=O)[N-][C@@H](C)C(C)(F)F)cc1Br ZINC000451072947 501243329 /nfs/dbraw/zinc/24/33/29/501243329.db2.gz POMWTCMIMPQOKM-QMMMGPOBSA-N -1 3 372.231 3.170 20 0 FGADHM COC(=O)c1ncccc1S(=O)(=O)[N-][C@H](c1ccccc1)C1CCCC1 ZINC000451083597 501244022 /nfs/dbraw/zinc/24/40/22/501244022.db2.gz PBLGEDNYCJBFEM-QGZVFWFLSA-N -1 3 374.462 3.078 20 0 FGADHM CN(C)[C@H](C[N-]S(=O)(=O)c1sccc1Cl)c1ccc(F)cc1 ZINC000451083134 501244044 /nfs/dbraw/zinc/24/40/44/501244044.db2.gz HLGLVHNHDLUOIA-CYBMUJFWSA-N -1 3 362.879 3.122 20 0 FGADHM Cc1noc(C)c1C[C@H](C)[N-]S(=O)(=O)c1ccc2ccccc2c1F ZINC000451214652 501252705 /nfs/dbraw/zinc/25/27/05/501252705.db2.gz DJGWWEHRYYCOFP-NSHDSACASA-N -1 3 362.426 3.493 20 0 FGADHM CCc1ccc([C@H](COC)[N-]S(=O)(=O)C[C@H]2CCCCC2(F)F)o1 ZINC000451240988 501254222 /nfs/dbraw/zinc/25/42/22/501254222.db2.gz JINHBFZXUKLWOZ-OCCSQVGLSA-N -1 3 365.442 3.274 20 0 FGADHM CCOC[C@H](C)CS(=O)(=O)[N-][C@H](CC)c1nc(C(F)(F)F)cs1 ZINC000451268406 501256377 /nfs/dbraw/zinc/25/63/77/501256377.db2.gz DNRFMENDKPJHCG-VHSXEESVSA-N -1 3 374.450 3.205 20 0 FGADHM Cc1csc(S(=O)(=O)[N-][C@@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000451362936 501274915 /nfs/dbraw/zinc/27/49/15/501274915.db2.gz RQDRNPXSLLGWRK-GDBMZVCRSA-N -1 3 372.462 3.058 20 0 FGADHM O=c1cc(C[S@](=O)Cc2cc(-c3ccccc3)no2)nc(C2CC2)[n-]1 ZINC000582475529 506243819 /nfs/dbraw/zinc/24/38/19/506243819.db2.gz RMFLTKMFOFBHQS-VWLOTQADSA-N -1 3 355.419 3.164 20 0 FGADHM CC1(C)CCC[C@](O)(C[N-]S(=O)(=O)C[C@H]2CCCCC2(F)F)C1 ZINC000451434263 501292595 /nfs/dbraw/zinc/29/25/95/501292595.db2.gz HJCDJDQPTLPPLT-UKRRQHHQSA-N -1 3 353.475 3.063 20 0 FGADHM O=C(NCc1ccc([O-])c(Br)c1)NC[C@H]1CCCC1(F)F ZINC000455412603 501295648 /nfs/dbraw/zinc/29/56/48/501295648.db2.gz OBLPCOPOGNFZON-SNVBAGLBSA-N -1 3 363.202 3.389 20 0 FGADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)[C@@]3(C)CC=CCC3)c2)[n-]1 ZINC000451487058 501304833 /nfs/dbraw/zinc/30/48/33/501304833.db2.gz FTXYLUXMIYJWIF-FQEVSTJZSA-N -1 3 368.437 3.011 20 0 FGADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)[C@@]3(C)CC=CCC3)c2)n[n-]1 ZINC000451487058 501304835 /nfs/dbraw/zinc/30/48/35/501304835.db2.gz FTXYLUXMIYJWIF-FQEVSTJZSA-N -1 3 368.437 3.011 20 0 FGADHM COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-]CCC(C)(F)F ZINC000451614154 501337165 /nfs/dbraw/zinc/33/71/65/501337165.db2.gz PEXZPODXWDITDA-UHFFFAOYSA-N -1 3 371.833 3.079 20 0 FGADHM O=c1[n-]c(CN2CC[C@@H]3C[C@@H](O)CC[C@@H]3C2)nc2c3ccccc3oc21 ZINC000451695969 501353288 /nfs/dbraw/zinc/35/32/88/501353288.db2.gz OKFQGIJWDWFKNF-MCIONIFRSA-N -1 3 353.422 3.065 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-][C@H](CCO)c2cccc(C(F)(F)F)c2)o1 ZINC000451733574 501362637 /nfs/dbraw/zinc/36/26/37/501362637.db2.gz VOPAJNBVAIBYHS-CYBMUJFWSA-N -1 3 363.357 3.009 20 0 FGADHM CC(C)=CCC[C@H](C)[N-]S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC000451743326 501364391 /nfs/dbraw/zinc/36/43/91/501364391.db2.gz TZIGIGUQRBJZTQ-LBPRGKRZSA-N -1 3 354.447 3.124 20 0 FGADHM COc1cccc([C@@H]2C[C@H]2[N-]S(=O)(=O)c2ccc(F)cc2Cl)c1 ZINC000451956948 501407835 /nfs/dbraw/zinc/40/78/35/501407835.db2.gz DQNNUEPTXWXNED-DZGCQCFKSA-N -1 3 355.818 3.322 20 0 FGADHM CCCc1ncc(C[N-]S(=O)(=O)c2cc(C)cc(Br)c2)o1 ZINC000451955492 501407860 /nfs/dbraw/zinc/40/78/60/501407860.db2.gz DWABSORBXQQIBN-UHFFFAOYSA-N -1 3 373.272 3.177 20 0 FGADHM COc1cccc([C@@H]2C[C@H]2[N-]S(=O)(=O)c2cc(Cl)ccc2OC)c1 ZINC000451961132 501409283 /nfs/dbraw/zinc/40/92/83/501409283.db2.gz RRRCZDTXDXQLSG-LSDHHAIUSA-N -1 3 367.854 3.192 20 0 FGADHM COc1cc(F)c(S(=O)(=O)[N-][C@H](C)c2cccc(C)c2)cc1OC ZINC000452106721 501436524 /nfs/dbraw/zinc/43/65/24/501436524.db2.gz REMTXBWVOYDJNK-GFCCVEGCSA-N -1 3 353.415 3.191 20 0 FGADHM COCCOc1ccc(F)cc1S(=O)(=O)[N-][C@@H](C)c1cccc(C)c1 ZINC000452110794 501437466 /nfs/dbraw/zinc/43/74/66/501437466.db2.gz ZYMYTQNBFXGWJZ-AWEZNQCLSA-N -1 3 367.442 3.199 20 0 FGADHM CC[C@@H]1C[C@H]1CNC(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000456120832 501458568 /nfs/dbraw/zinc/45/85/68/501458568.db2.gz VPWLWXAFDBUUQG-OLZOCXBDSA-N -1 3 373.478 3.114 20 0 FGADHM O=C(c1csc(=O)[n-]1)N1CC[C@H](c2cccc(Br)c2)C1 ZINC000456139282 501462856 /nfs/dbraw/zinc/46/28/56/501462856.db2.gz GLXIPWPKEWTPOK-JTQLQIEISA-N -1 3 353.241 3.241 20 0 FGADHM CC[C@H](COCC(F)(F)F)NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000452334912 501480055 /nfs/dbraw/zinc/48/00/55/501480055.db2.gz JVDUSQFDDMLBNE-GFCCVEGCSA-N -1 3 351.340 3.328 20 0 FGADHM COCC1(CCNC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)CCC1 ZINC000454243338 501490442 /nfs/dbraw/zinc/49/04/42/501490442.db2.gz UKHNDOVWWGQZGD-UHFFFAOYSA-N -1 3 370.453 3.486 20 0 FGADHM Cc1cc(F)ccc1[C@H]1CCCN1C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000454347530 501520468 /nfs/dbraw/zinc/52/04/68/501520468.db2.gz LTUTZHAUYNVOHN-QGZVFWFLSA-N -1 3 367.380 3.387 20 0 FGADHM C[C@H](NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O)C1CC1 ZINC000452562585 501523497 /nfs/dbraw/zinc/52/34/97/501523497.db2.gz LPBMKKHRECAVNG-ZETCQYMHSA-N -1 3 369.646 3.472 20 0 FGADHM C[C@H](NC(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-])C1CC1 ZINC000452562585 501523498 /nfs/dbraw/zinc/52/34/98/501523498.db2.gz LPBMKKHRECAVNG-ZETCQYMHSA-N -1 3 369.646 3.472 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N3C[C@H]4[C@@H]5C=C[C@@H](C5)[C@]4(C)C3)c[n-]c12 ZINC000452605779 501531378 /nfs/dbraw/zinc/53/13/78/501531378.db2.gz NVBGZYYBWHQKMQ-CNTOYUPWSA-N -1 3 352.409 3.260 20 0 FGADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CC[C@@](O)(C(F)F)C1 ZINC000452691994 501545987 /nfs/dbraw/zinc/54/59/87/501545987.db2.gz JJLRNINHLMPGTJ-FQEVSTJZSA-N -1 3 361.388 3.020 20 0 FGADHM C[C@@H]1CN(CC(F)(F)F)CCN(C(=O)c2cc([O-])ccc2Cl)C1 ZINC000456629040 501561835 /nfs/dbraw/zinc/56/18/35/501561835.db2.gz AUGXYAASXFALJG-SNVBAGLBSA-N -1 3 350.768 3.002 20 0 FGADHM Cc1cc(C(=O)N2CCC(F)(Cc3ccc(Cl)cc3)CC2)[n-]c(=O)n1 ZINC000452807729 501565961 /nfs/dbraw/zinc/56/59/61/501565961.db2.gz CMULMOUDECJZDT-UHFFFAOYSA-N -1 3 363.820 3.331 20 0 FGADHM CC(C)[C@H]1C[C@H](CNC(=O)Cc2ccc(Br)cc2[O-])CCO1 ZINC000452862181 501576150 /nfs/dbraw/zinc/57/61/50/501576150.db2.gz YKBJOCOPLWJPCQ-MLGOLLRUSA-N -1 3 370.287 3.265 20 0 FGADHM CC(C)(C)c1nnc(S(=O)(=O)Cc2cc(Cl)sc2Cl)[n-]1 ZINC000453027307 501604005 /nfs/dbraw/zinc/60/40/05/501604005.db2.gz NUEZVKOHBFOXEN-UHFFFAOYSA-N -1 3 354.284 3.444 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N3CCC[C@@]4(CCSC4)C3)c[n-]c12 ZINC000456854746 501610424 /nfs/dbraw/zinc/61/04/24/501610424.db2.gz XRHFNQXMZZQOAA-LJQANCHMSA-N -1 3 360.454 3.335 20 0 FGADHM [O-]c1cccc(CN2CCCN(CC(F)(F)F)CC2)c1Br ZINC000459303932 501627849 /nfs/dbraw/zinc/62/78/49/501627849.db2.gz GHBZTZAAYREZGY-UHFFFAOYSA-N -1 3 367.209 3.225 20 0 FGADHM Cc1csc([C@@H]2CN(Cc3cccc([O-])c3Br)CCO2)n1 ZINC000459331424 501632257 /nfs/dbraw/zinc/63/22/57/501632257.db2.gz VDOBYCGGGPZKKH-ZDUSSCGKSA-N -1 3 369.284 3.493 20 0 FGADHM O=c1cc(CN2CCC[C@H]2c2cccc3c2OCCO3)nc(C2CC2)[n-]1 ZINC000459331585 501632564 /nfs/dbraw/zinc/63/25/64/501632564.db2.gz WCDAVSUDFNDTQM-INIZCTEOSA-N -1 3 353.422 3.168 20 0 FGADHM CCOc1cc(CN2CCNC(=O)[C@H]2c2ccccc2)cc(Cl)c1[O-] ZINC000459333211 501632679 /nfs/dbraw/zinc/63/26/79/501632679.db2.gz ZXFZXGKOZLBWSX-QGZVFWFLSA-N -1 3 360.841 3.117 20 0 FGADHM Cc1cccc([C@H](C)NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])c1 ZINC000457041631 501639402 /nfs/dbraw/zinc/63/94/02/501639402.db2.gz FRHFXNJBRFPNIM-YJBOKZPZSA-N -1 3 352.434 3.183 20 0 FGADHM COc1cccc(NC2CCN(Cc3cc(=O)[n-]c(C4CC4)n3)CC2)c1 ZINC000459371580 501641252 /nfs/dbraw/zinc/64/12/52/501641252.db2.gz YLNZFYPXNCPJTQ-UHFFFAOYSA-N -1 3 354.454 3.145 20 0 FGADHM CCOc1cc(CN[C@H](C)C(=O)N2CCCC[C@H]2C)cc(Cl)c1[O-] ZINC000459421054 501651144 /nfs/dbraw/zinc/65/11/44/501651144.db2.gz YRONNDZJDXFISX-CHWSQXEVSA-N -1 3 354.878 3.323 20 0 FGADHM COc1cccc(C(=O)N2CCC3(CC2)OCCc2ccccc23)c1[O-] ZINC000457115953 501653287 /nfs/dbraw/zinc/65/32/87/501653287.db2.gz NBPYBUGBRMETNU-UHFFFAOYSA-N -1 3 353.418 3.105 20 0 FGADHM [O-]c1cccc(CNC[C@H](CO)Cc2ccc(F)cc2)c1Br ZINC000459474326 501659740 /nfs/dbraw/zinc/65/97/40/501659740.db2.gz QAGSTRBZWNFUKK-CYBMUJFWSA-N -1 3 368.246 3.235 20 0 FGADHM [O-]c1cccc(CN2CCC[C@@H]([C@H](O)C(F)(F)F)C2)c1Br ZINC000459502235 501664872 /nfs/dbraw/zinc/66/48/72/501664872.db2.gz GDFNRBDMTDLVRT-MFKMUULPSA-N -1 3 368.193 3.290 20 0 FGADHM CCCCOc1ccc(C(=O)N[C@@H](C)C(=O)Nc2cccnc2C)c([O-])c1 ZINC000457245523 501671031 /nfs/dbraw/zinc/67/10/31/501671031.db2.gz VFLCDJKYBAGCAG-AWEZNQCLSA-N -1 3 371.437 3.032 20 0 FGADHM [O-]c1cccc(CN2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)c1Br ZINC000459551999 501674979 /nfs/dbraw/zinc/67/49/79/501674979.db2.gz YCTVONPMIVEBFZ-GHMZBOCLSA-N -1 3 368.193 3.147 20 0 FGADHM O=C(c1ccc(O)cc1[O-])N1CCC[C@H]1c1ccc(Br)cn1 ZINC000457321287 501681700 /nfs/dbraw/zinc/68/17/00/501681700.db2.gz CHBACIDHXADOEO-AWEZNQCLSA-N -1 3 363.211 3.233 20 0 FGADHM CCCS(=O)(=O)[N-]c1cc(NC(=O)[C@H](C)C2CCC2)c(F)cc1F ZINC000457506958 501713017 /nfs/dbraw/zinc/71/30/17/501713017.db2.gz BZVFYAVYARJAQD-SNVBAGLBSA-N -1 3 360.426 3.491 20 0 FGADHM O=C(CCCOc1cccnc1)Nc1nnc(-c2cc3ccccc3o2)[n-]1 ZINC000485128546 501730318 /nfs/dbraw/zinc/73/03/18/501730318.db2.gz OCFSECXZNXURLI-UHFFFAOYSA-N -1 3 363.377 3.411 20 0 FGADHM O=C(CCCOc1cccnc1)Nc1nc(-c2cc3ccccc3o2)n[n-]1 ZINC000485128546 501730320 /nfs/dbraw/zinc/73/03/20/501730320.db2.gz OCFSECXZNXURLI-UHFFFAOYSA-N -1 3 363.377 3.411 20 0 FGADHM O=C(CCCOc1cccnc1)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000485128546 501730325 /nfs/dbraw/zinc/73/03/25/501730325.db2.gz OCFSECXZNXURLI-UHFFFAOYSA-N -1 3 363.377 3.411 20 0 FGADHM Cc1ccsc1[C@@H](CO)[N-]S(=O)(=O)Cc1ccc(Cl)c(F)c1 ZINC000477586747 501731281 /nfs/dbraw/zinc/73/12/81/501731281.db2.gz DNDYLVMWDKTJSP-CYBMUJFWSA-N -1 3 363.863 3.002 20 0 FGADHM COC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000474187572 501736659 /nfs/dbraw/zinc/73/66/59/501736659.db2.gz DFEWFZPKKTXHQY-CQSZACIVSA-N -1 3 357.834 3.015 20 0 FGADHM Cc1ccccc1-c1cc(=NC(=O)c2cc(COC(C)(C)C)on2)[nH][n-]1 ZINC000474193288 501739024 /nfs/dbraw/zinc/73/90/24/501739024.db2.gz MAWVBBDGGMIIBR-UHFFFAOYSA-N -1 3 354.410 3.362 20 0 FGADHM CCCC1(C[N-]S(=O)(=O)c2cc(OC)ccc2Br)CC1 ZINC000470605400 501740656 /nfs/dbraw/zinc/74/06/56/501740656.db2.gz GKESLGJHKUYSDO-UHFFFAOYSA-N -1 3 362.289 3.316 20 0 FGADHM COC(=O)c1c(F)ccc([N-]C(=O)c2sc([C@@H](C)OC)nc2C)c1F ZINC000485158133 501742987 /nfs/dbraw/zinc/74/29/87/501742987.db2.gz LQDDBRACNNXQRG-MRVPVSSYSA-N -1 3 370.377 3.476 20 0 FGADHM COc1cccc2c1CC[C@@H]2[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000470628435 501748919 /nfs/dbraw/zinc/74/89/19/501748919.db2.gz RZZVHQIHCPBEAV-ZDUSSCGKSA-N -1 3 355.818 3.454 20 0 FGADHM COc1cc(C(=O)Nc2nc(-c3ccccn3)cs2)cc(OC)c1[O-] ZINC000481345694 501750055 /nfs/dbraw/zinc/75/00/55/501750055.db2.gz LXHRKXDFCCEBJQ-UHFFFAOYSA-N -1 3 357.391 3.180 20 0 FGADHM COC(=O)c1c(F)ccc([N-]C(=O)c2csc(C(F)(F)F)n2)c1F ZINC000485189800 501750706 /nfs/dbraw/zinc/75/07/06/501750706.db2.gz LHZSOWJKZSGOCW-UHFFFAOYSA-N -1 3 366.267 3.479 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1cccc(-c2noc(C3CC3)n2)c1 ZINC000463614990 501775332 /nfs/dbraw/zinc/77/53/32/501775332.db2.gz UOOCDYUHKNBEOU-UHFFFAOYSA-N -1 3 373.376 3.046 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cccc(-c2noc(C3CC3)n2)c1 ZINC000463614990 501775334 /nfs/dbraw/zinc/77/53/34/501775334.db2.gz UOOCDYUHKNBEOU-UHFFFAOYSA-N -1 3 373.376 3.046 20 0 FGADHM COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]c1cc(C)ccc1Cl ZINC000474290870 501777861 /nfs/dbraw/zinc/77/78/61/501777861.db2.gz FQFPPWRHTMYLAJ-UHFFFAOYSA-N -1 3 368.842 3.416 20 0 FGADHM Cc1cc(C(=O)N2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)[n-]c(=O)n1 ZINC000470716312 501779826 /nfs/dbraw/zinc/77/98/26/501779826.db2.gz ZFOKVQUDGDUOHG-LLVKDONJSA-N -1 3 368.220 3.091 20 0 FGADHM CSc1nnc(NC(=O)c2cc3cc(C(F)(F)F)ccc3n2C)[n-]1 ZINC000463632075 501779887 /nfs/dbraw/zinc/77/98/87/501779887.db2.gz WKGNKWJQSQTNIN-UHFFFAOYSA-N -1 3 355.345 3.289 20 0 FGADHM CSc1n[n-]c(NC(=O)c2cc3cc(C(F)(F)F)ccc3n2C)n1 ZINC000463632075 501779895 /nfs/dbraw/zinc/77/98/95/501779895.db2.gz WKGNKWJQSQTNIN-UHFFFAOYSA-N -1 3 355.345 3.289 20 0 FGADHM CSc1nc(NC(=O)c2cc3cc(C(F)(F)F)ccc3n2C)n[n-]1 ZINC000463632075 501779902 /nfs/dbraw/zinc/77/99/02/501779902.db2.gz WKGNKWJQSQTNIN-UHFFFAOYSA-N -1 3 355.345 3.289 20 0 FGADHM O=S(=O)([N-][C@H](CO)c1c(Cl)cccc1Cl)C1CCCCC1 ZINC000481464654 501783442 /nfs/dbraw/zinc/78/34/42/501783442.db2.gz METPPVUSKUBLBF-CYBMUJFWSA-N -1 3 352.283 3.279 20 0 FGADHM O=S(=O)(CC1CCCC1)[N-][C@@H](CO)c1c(Cl)cccc1Cl ZINC000481491836 501790296 /nfs/dbraw/zinc/79/02/96/501790296.db2.gz LXLFIWFAQMUNCF-ZDUSSCGKSA-N -1 3 352.283 3.136 20 0 FGADHM Cc1cc(=NC(=O)NC[C@@H](c2ccccc2)N2CCC(C)CC2)[n-]nc1C ZINC000467467753 501802499 /nfs/dbraw/zinc/80/24/99/501802499.db2.gz IMESSQMNZNRODB-IBGZPJMESA-N -1 3 367.497 3.110 20 0 FGADHM 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O=S(=O)(Cc1ccc(F)c(Cl)c1)[N-]c1nc2cc(F)ccc2[nH]1 ZINC000486569406 502193278 /nfs/dbraw/zinc/19/32/78/502193278.db2.gz ZXJIIUIISPUSAD-UHFFFAOYSA-N -1 3 357.769 3.436 20 0 FGADHM COc1cccc(-c2nc(C(=O)[N-]c3cc(F)c(OC)cc3OC)no2)c1 ZINC000471993439 502194645 /nfs/dbraw/zinc/19/46/45/502194645.db2.gz UVLHFWUTAHNQSF-UHFFFAOYSA-N -1 3 373.340 3.154 20 0 FGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H](C)C(=O)OC(C)C)c1Cl ZINC000479220525 502196020 /nfs/dbraw/zinc/19/60/20/502196020.db2.gz FEILRKBXTXPBMS-JTQLQIEISA-N -1 3 368.282 3.168 20 0 FGADHM Cc1cc2c(cc1S(=O)(=O)[N-]c1c(F)cccc1NC(C)C)OCO2 ZINC000479232777 502201083 /nfs/dbraw/zinc/20/10/83/502201083.db2.gz WYXBPLOZQNEORC-UHFFFAOYSA-N -1 3 366.414 3.484 20 0 FGADHM Cc1ccc(-c2nc(CNC(=O)c3cc(=O)c4ccccc4[n-]3)co2)cc1 ZINC000465185216 502209383 /nfs/dbraw/zinc/20/93/83/502209383.db2.gz MTSMKHDGBIQWRG-UHFFFAOYSA-N -1 3 359.385 3.422 20 0 FGADHM COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-]C1(C)CCCC1 ZINC000475571796 502216236 /nfs/dbraw/zinc/21/62/36/502216236.db2.gz NFBXYMPGSVVJND-UHFFFAOYSA-N -1 3 361.891 3.366 20 0 FGADHM COc1ccccc1[C@H](CC(C)C)NC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000472063081 502216274 /nfs/dbraw/zinc/21/62/74/502216274.db2.gz MYTRJFLRZSAJGO-KRWDZBQOSA-N -1 3 357.454 3.254 20 0 FGADHM COc1ccc(CN(C)C(=O)c2c[n-]c3c(C)cccc3c2=O)cc1C ZINC000482957010 502227624 /nfs/dbraw/zinc/22/76/24/502227624.db2.gz XISAPCHDSPWUBO-UHFFFAOYSA-N -1 3 350.418 3.426 20 0 FGADHM C/C=C\C[C@@H](CO)[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000468935334 502236027 /nfs/dbraw/zinc/23/60/27/502236027.db2.gz MANOSAOTAZKKBL-GWQWAINWSA-N -1 3 373.902 3.124 20 0 FGADHM CCc1ccc(CS(=O)(=O)[N-][C@H](C)c2noc(-c3ccccc3)n2)cc1 ZINC000468949618 502240954 /nfs/dbraw/zinc/24/09/54/502240954.db2.gz NDGPGCJKMUBSSV-CQSZACIVSA-N -1 3 371.462 3.480 20 0 FGADHM CS(=O)(=O)[N-]c1cc(C(=O)Nc2ccsc2)cc(C(F)(F)F)c1 ZINC000472159048 502252561 /nfs/dbraw/zinc/25/25/61/502252561.db2.gz OVSQHJMPCVXPBJ-UHFFFAOYSA-N -1 3 364.370 3.391 20 0 FGADHM COc1ccc([C@H](CCO)NC(=O)CCCc2ccc([O-])c(F)c2)cc1 ZINC000468992803 502255998 /nfs/dbraw/zinc/25/59/98/502255998.db2.gz PGLBCVFTYDMPBM-SFHVURJKSA-N -1 3 361.413 3.103 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]CCc2ccccc2OC(F)F)c(F)c1 ZINC000472189890 502263859 /nfs/dbraw/zinc/26/38/59/502263859.db2.gz GZGACHAIXVHJID-UHFFFAOYSA-N -1 3 359.369 3.257 20 0 FGADHM CCC(O)(CC)CC[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000472196959 502265588 /nfs/dbraw/zinc/26/55/88/502265588.db2.gz QWROYWLWOXHUQO-UHFFFAOYSA-N -1 3 354.497 3.030 20 0 FGADHM CCC(O)(CC)CC[N-]S(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000472199309 502266935 /nfs/dbraw/zinc/26/69/35/502266935.db2.gz YYYUOXOJIUEWAB-UHFFFAOYSA-N -1 3 370.298 3.222 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)Cc1cccc(F)c1)c1nc(C(F)(F)F)cs1 ZINC000486827914 502276539 /nfs/dbraw/zinc/27/65/39/502276539.db2.gz ZQZBFWRKTRSGGN-MRVPVSSYSA-N -1 3 368.377 3.482 20 0 FGADHM CCCC[C@H]([N-]S(=O)(=O)c1cc(F)ccc1C(=O)OC)C1CCC1 ZINC000465493435 502278908 /nfs/dbraw/zinc/27/89/08/502278908.db2.gz HCWYXEVLEXSAQG-HNNXBMFYSA-N -1 3 357.447 3.250 20 0 FGADHM COc1ccc(O[C@H](C)C[N-]S(=O)(=O)c2cc(F)c(C)cc2F)cc1 ZINC000475760217 502282699 /nfs/dbraw/zinc/28/26/99/502282699.db2.gz PAHYWSAERIEGDJ-GFCCVEGCSA-N -1 3 371.405 3.028 20 0 FGADHM C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000483134207 502285248 /nfs/dbraw/zinc/28/52/48/502285248.db2.gz APDROEHECSKROI-ISVAXAHUSA-N -1 3 371.338 3.085 20 0 FGADHM C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000483134207 502285251 /nfs/dbraw/zinc/28/52/51/502285251.db2.gz APDROEHECSKROI-ISVAXAHUSA-N -1 3 371.338 3.085 20 0 FGADHM C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000483134207 502285256 /nfs/dbraw/zinc/28/52/56/502285256.db2.gz APDROEHECSKROI-ISVAXAHUSA-N -1 3 371.338 3.085 20 0 FGADHM Cc1noc([C@H](C)[N-]S(=O)(=O)c2ccc3oc4ccccc4c3c2)n1 ZINC000588680677 506304341 /nfs/dbraw/zinc/30/43/41/506304341.db2.gz AJMKOYPGGXEUHE-JTQLQIEISA-N -1 3 357.391 3.317 20 0 FGADHM Cc1cccc(CN(Cc2cccc(C)n2)C(=O)c2csc(=O)[n-]2)n1 ZINC000472271967 502293353 /nfs/dbraw/zinc/29/33/53/502293353.db2.gz FTJITGWWQCYZDD-UHFFFAOYSA-N -1 3 354.435 3.098 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2ccccc2F)c(Br)c1 ZINC000475805526 502296437 /nfs/dbraw/zinc/29/64/37/502296437.db2.gz FQPAVUBZTUWLJG-UHFFFAOYSA-N -1 3 360.204 3.398 20 0 FGADHM Cc1noc([C@@H](C)[N-]S(=O)(=O)c2ccc3oc4ccccc4c3c2)n1 ZINC000588680679 506304884 /nfs/dbraw/zinc/30/48/84/506304884.db2.gz AJMKOYPGGXEUHE-SNVBAGLBSA-N -1 3 357.391 3.317 20 0 FGADHM CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)[N-]c1nc(C)nn1-c1ccccc1 ZINC000479572528 502301445 /nfs/dbraw/zinc/30/14/45/502301445.db2.gz FJNGRXVOCWDKIC-WBAXXEDZSA-N -1 3 356.470 3.310 20 0 FGADHM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)[N-]c1nc(C)nn1-c1ccccc1 ZINC000479572527 502301538 /nfs/dbraw/zinc/30/15/38/502301538.db2.gz FJNGRXVOCWDKIC-QGTPRVQTSA-N -1 3 356.470 3.310 20 0 FGADHM O=S(=O)([N-][C@@H]1[C@@H]2Cc3ccccc3[C@@H]21)c1ccc(C(F)(F)F)s1 ZINC000462110681 502310965 /nfs/dbraw/zinc/31/09/65/502310965.db2.gz ISDRRHVKYBWFLL-DDTOSNHZSA-N -1 3 359.394 3.384 20 0 FGADHM Cc1cccc(F)c1S(=O)(=O)[N-]C[C@@H]1CCN(c2ccccc2F)C1 ZINC000462128593 502317680 /nfs/dbraw/zinc/31/76/80/502317680.db2.gz XDAVEOKMCFZQIY-AWEZNQCLSA-N -1 3 366.433 3.078 20 0 FGADHM CC(C)Cn1cnc(S(=O)(=O)[N-]CCCCCOC2CCCCC2)c1 ZINC000486993118 502326057 /nfs/dbraw/zinc/32/60/57/502326057.db2.gz CEMIOIPIJDSTKR-UHFFFAOYSA-N -1 3 371.547 3.337 20 0 FGADHM Cc1cccc2c1[n-]cc(C(=O)N[C@H](C)c1ccc([S@@](C)=O)cc1)c2=O ZINC000483257340 502330651 /nfs/dbraw/zinc/33/06/51/502330651.db2.gz HEBLDVFDFDEXFT-ZBSNKRKSSA-N -1 3 368.458 3.065 20 0 FGADHM O=C(COc1ccccc1NC(=O)c1cccc([O-])c1)Nc1cccnc1 ZINC000469233349 502344777 /nfs/dbraw/zinc/34/47/77/502344777.db2.gz KILQJGXRDIFILZ-UHFFFAOYSA-N -1 3 363.373 3.057 20 0 FGADHM CC(C)C[C@H](C)NC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000472431442 502349441 /nfs/dbraw/zinc/34/94/41/502349441.db2.gz NMAYXKUOWRPVLG-JTQLQIEISA-N -1 3 366.405 3.241 20 0 FGADHM C[C@H]1Cc2ccc(Br)cc2CN1C(=O)c1csc(=O)[n-]1 ZINC000472435633 502350031 /nfs/dbraw/zinc/35/00/31/502350031.db2.gz YIFOKESCRWJCNF-QMMMGPOBSA-N -1 3 353.241 3.198 20 0 FGADHM CCc1c(C(=O)Nc2nnc(-c3c(F)cccc3F)[n-]2)[nH]c(C)c1C(C)=O ZINC000479756549 502367746 /nfs/dbraw/zinc/36/77/46/502367746.db2.gz OWYYOCKGEOFVTA-UHFFFAOYSA-N -1 3 373.363 3.404 20 0 FGADHM CCc1c(C(=O)Nc2nc(-c3c(F)cccc3F)n[n-]2)[nH]c(C)c1C(C)=O ZINC000479756549 502367751 /nfs/dbraw/zinc/36/77/51/502367751.db2.gz OWYYOCKGEOFVTA-UHFFFAOYSA-N -1 3 373.363 3.404 20 0 FGADHM CCc1c(C(=O)Nc2n[n-]c(-c3c(F)cccc3F)n2)[nH]c(C)c1C(C)=O ZINC000479756549 502367758 /nfs/dbraw/zinc/36/77/58/502367758.db2.gz OWYYOCKGEOFVTA-UHFFFAOYSA-N -1 3 373.363 3.404 20 0 FGADHM Cc1nc(S(=O)(=O)[N-]C[C@H](Cc2ccccc2)c2ccccc2)cn1C ZINC000487154844 502374687 /nfs/dbraw/zinc/37/46/87/502374687.db2.gz PYMGZMCCDMNAHA-IBGZPJMESA-N -1 3 369.490 3.033 20 0 FGADHM O=C(NCc1cc2cc(Br)ccc2[nH]1)c1csc(=O)[n-]1 ZINC000472522778 502376359 /nfs/dbraw/zinc/37/63/59/502376359.db2.gz VLMBCZKATVASDQ-UHFFFAOYSA-N -1 3 352.213 3.023 20 0 FGADHM Cc1ccc(F)c(S(=O)(=O)[N-][C@@H]2CCOc3c(F)ccc(F)c32)c1 ZINC000462290294 502381021 /nfs/dbraw/zinc/38/10/21/502381021.db2.gz CXNHYMYLQSNCFI-CYBMUJFWSA-N -1 3 357.353 3.214 20 0 FGADHM COc1ccccc1[C@@]1(C)C[C@H]1[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000462303940 502386312 /nfs/dbraw/zinc/38/63/12/502386312.db2.gz BRKIKARCMXYPEZ-IAGOWNOFSA-N -1 3 369.845 3.496 20 0 FGADHM O=C(Nc1ccc(OC(F)(F)F)cc1[O-])[C@@H]1CCCN1CC(F)(F)F ZINC000462325407 502393351 /nfs/dbraw/zinc/39/33/51/502393351.db2.gz GVDWDVOBUGSEJG-JTQLQIEISA-N -1 3 372.265 3.256 20 0 FGADHM O=C(N=c1cc(-c2ccccc2)o[n-]1)c1n[nH]c(C2CC2)c1Br ZINC000479844941 502395008 /nfs/dbraw/zinc/39/50/08/502395008.db2.gz SKIORQLWWWWYPJ-UHFFFAOYSA-N -1 3 373.210 3.379 20 0 FGADHM COC[C@H](C)S(=O)(=O)[N-]Cc1nc(-c2cc3ccccc3o2)cs1 ZINC000476204862 502413088 /nfs/dbraw/zinc/41/30/88/502413088.db2.gz SBPBPKUWLPWWQY-NSHDSACASA-N -1 3 366.464 3.011 20 0 FGADHM CO[C@H](c1ccccc1Cl)[C@H](C)[N-]S(=O)(=O)c1cnc(C)s1 ZINC000479926586 502420847 /nfs/dbraw/zinc/42/08/47/502420847.db2.gz PONSCSOAOINHIN-XPTSAGLGSA-N -1 3 360.888 3.159 20 0 FGADHM Cc1ccc([C@H]2CCCN2C(=O)NCc2nnc(C(F)(F)F)[n-]2)s1 ZINC000483542848 502425991 /nfs/dbraw/zinc/42/59/91/502425991.db2.gz KIPMFKYMFAKTHN-SECBINFHSA-N -1 3 359.377 3.240 20 0 FGADHM Cc1ccc([C@H]2CCCN2C(=O)NCc2n[n-]c(C(F)(F)F)n2)s1 ZINC000483542848 502425996 /nfs/dbraw/zinc/42/59/96/502425996.db2.gz KIPMFKYMFAKTHN-SECBINFHSA-N -1 3 359.377 3.240 20 0 FGADHM Cc1ccc([C@H]2CCCN2C(=O)NCc2nc(C(F)(F)F)n[n-]2)s1 ZINC000483542848 502426003 /nfs/dbraw/zinc/42/60/03/502426003.db2.gz KIPMFKYMFAKTHN-SECBINFHSA-N -1 3 359.377 3.240 20 0 FGADHM COC(C)(C)C[C@@H](C)[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000462409158 502426198 /nfs/dbraw/zinc/42/61/98/502426198.db2.gz JRDAYTIXPUAZCV-GFCCVEGCSA-N -1 3 354.497 3.292 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)c2c(C)nn(CC(F)(F)F)c2C)o1 ZINC000479950243 502428886 /nfs/dbraw/zinc/42/88/86/502428886.db2.gz QIKWHLOBVOKFQC-JTQLQIEISA-N -1 3 365.377 3.003 20 0 FGADHM C[C@H](c1ccc(Cl)cc1)N(C)C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000483553545 502429114 /nfs/dbraw/zinc/42/91/14/502429114.db2.gz PPLHDVPMPZOEQP-MRVPVSSYSA-N -1 3 361.755 3.380 20 0 FGADHM C[C@H](c1ccc(Cl)cc1)N(C)C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000483553545 502429116 /nfs/dbraw/zinc/42/91/16/502429116.db2.gz PPLHDVPMPZOEQP-MRVPVSSYSA-N -1 3 361.755 3.380 20 0 FGADHM C[C@H](c1ccc(Cl)cc1)N(C)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000483553545 502429120 /nfs/dbraw/zinc/42/91/20/502429120.db2.gz PPLHDVPMPZOEQP-MRVPVSSYSA-N -1 3 361.755 3.380 20 0 FGADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@H](C)CC1CCCCC1 ZINC000487397108 502433082 /nfs/dbraw/zinc/43/30/82/502433082.db2.gz SJFXXUXIYZSIAR-GFCCVEGCSA-N -1 3 357.447 3.250 20 0 FGADHM CCO[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1OC)c1ccccc1 ZINC000487396954 502433302 /nfs/dbraw/zinc/43/33/02/502433302.db2.gz HILKYBRGTLBEBQ-INIZCTEOSA-N -1 3 369.870 3.405 20 0 FGADHM CCOc1nc2cc(C(=O)N[C@@H](C)c3cccc(NC(C)=O)c3)ccc2[n-]1 ZINC000469517735 502448594 /nfs/dbraw/zinc/44/85/94/502448594.db2.gz UVZBHRMZQQHUBB-LBPRGKRZSA-N -1 3 366.421 3.411 20 0 FGADHM CCOc1nc2ccc(C(=O)N[C@@H](C)c3cccc(NC(C)=O)c3)cc2[n-]1 ZINC000469517735 502448598 /nfs/dbraw/zinc/44/85/98/502448598.db2.gz UVZBHRMZQQHUBB-LBPRGKRZSA-N -1 3 366.421 3.411 20 0 FGADHM O=S(=O)([N-]CCOc1ccc(Cl)cc1)c1cc(F)c(F)c(F)c1 ZINC000462469747 502451536 /nfs/dbraw/zinc/45/15/36/502451536.db2.gz RATLZZJADZXKSK-UHFFFAOYSA-N -1 3 365.760 3.115 20 0 FGADHM CCC1([N-]S(=O)(=O)c2cc(Cl)ccc2OCCCOC)CCC1 ZINC000476316698 502454367 /nfs/dbraw/zinc/45/43/67/502454367.db2.gz YNSBVHPLXTUKLG-UHFFFAOYSA-N -1 3 361.891 3.366 20 0 FGADHM O=C(c1ccc2n[n-]nc2c1)N1CC(OCc2cccc3ccccc32)C1 ZINC000480037721 502454799 /nfs/dbraw/zinc/45/47/99/502454799.db2.gz DAUGKCITROKBRV-UHFFFAOYSA-N -1 3 358.401 3.152 20 0 FGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCN(C)[C@H](C)C2)c1Cl ZINC000462490450 502461349 /nfs/dbraw/zinc/46/13/49/502461349.db2.gz NJVFTCHKEGHAOW-MNOVXSKESA-N -1 3 351.299 3.063 20 0 FGADHM COCC[C@H]([N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)c1ccc(C)o1 ZINC000480066497 502462899 /nfs/dbraw/zinc/46/28/99/502462899.db2.gz GZISTXHRJRNZFG-ZDUSSCGKSA-N -1 3 363.357 3.061 20 0 FGADHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)CCN1C ZINC000462499355 502466341 /nfs/dbraw/zinc/46/63/41/502466341.db2.gz HSYVESLZPZACBL-ZJUUUORDSA-N -1 3 370.824 3.120 20 0 FGADHM CN(CC[C@@H]1CCCO1)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000469585136 502472621 /nfs/dbraw/zinc/47/26/21/502472621.db2.gz OGJHOYJVQOSNJQ-IBGZPJMESA-N -1 3 374.506 3.488 20 0 FGADHM CC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c1 ZINC000476486050 502501950 /nfs/dbraw/zinc/50/19/50/502501950.db2.gz UNTHGKXRGJPUSY-UHFFFAOYSA-N -1 3 367.810 3.115 20 0 FGADHM CC(C)(C)n1cc(C(=O)[N-]c2n[nH]c(-c3cccc4ccccc43)n2)nn1 ZINC000483834737 502503767 /nfs/dbraw/zinc/50/37/67/502503767.db2.gz QUKNUHQIWGHVLT-UHFFFAOYSA-N -1 3 361.409 3.224 20 0 FGADHM CCCc1ccc(-c2cc(=NC(=O)c3cnn(C)c3SC)[nH][n-]2)cc1 ZINC000483835003 502503840 /nfs/dbraw/zinc/50/38/40/502503840.db2.gz LXWAJMBPZDQDGX-UHFFFAOYSA-N -1 3 355.467 3.159 20 0 FGADHM Cc1ccc(-n2ncc([N-]S(=O)(=O)N(C)CC3CC3)c2C(C)C)cc1 ZINC000480228529 502507757 /nfs/dbraw/zinc/50/77/57/502507757.db2.gz OMMZKTUDPWTSPL-UHFFFAOYSA-N -1 3 362.499 3.303 20 0 FGADHM CCOc1nc2cc(C(=O)N[C@@H](COC)c3ccc(CC)o3)ccc2[n-]1 ZINC000469708240 502510593 /nfs/dbraw/zinc/51/05/93/502510593.db2.gz RQUNNYMEYNSZAF-INIZCTEOSA-N -1 3 357.410 3.235 20 0 FGADHM CCOc1nc2ccc(C(=O)N[C@@H](COC)c3ccc(CC)o3)cc2[n-]1 ZINC000469708240 502510598 /nfs/dbraw/zinc/51/05/98/502510598.db2.gz RQUNNYMEYNSZAF-INIZCTEOSA-N -1 3 357.410 3.235 20 0 FGADHM Cn1cc([C@@H]([N-]C(=O)c2cc(F)c(Cl)cc2F)C(F)(F)F)cn1 ZINC000487748104 502520981 /nfs/dbraw/zinc/52/09/81/502520981.db2.gz IDSORGWMALEGGD-LLVKDONJSA-N -1 3 353.678 3.385 20 0 FGADHM CCCCN(CCCC)S(=O)(=O)[N-][C@H](C)c1nc(C(C)(C)C)no1 ZINC000462653722 502523309 /nfs/dbraw/zinc/52/33/09/502523309.db2.gz FYGVCSMKWIZKFR-CYBMUJFWSA-N -1 3 360.524 3.165 20 0 FGADHM COC(=O)c1ccc(N2CCN(Cc3cc([O-])cc(F)c3)[C@@H](C)C2)cc1 ZINC000473146379 502527675 /nfs/dbraw/zinc/52/76/75/502527675.db2.gz YSHPGAHSRXCHTQ-AWEZNQCLSA-N -1 3 358.413 3.029 20 0 FGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)C[C@@H]2CCc3ccccc32)c1 ZINC000607915348 506318861 /nfs/dbraw/zinc/31/88/61/506318861.db2.gz ZGMDPFARAGLDLC-HNNXBMFYSA-N -1 3 358.463 3.425 20 0 FGADHM COc1c(=O)[n-]c(=O)[nH]c1C(=O)Nc1cccc(CSC(C)C)c1C ZINC000473199016 502541188 /nfs/dbraw/zinc/54/11/88/502541188.db2.gz SJTIHLGXFIOBMG-UHFFFAOYSA-N -1 3 363.439 3.099 20 0 FGADHM COc1cccc(O[C@H](C)C[N-]S(=O)(=O)c2cc(F)ccc2Cl)c1 ZINC000462711710 502544239 /nfs/dbraw/zinc/54/42/39/502544239.db2.gz LQEFUFOJWNELIZ-LLVKDONJSA-N -1 3 373.833 3.234 20 0 FGADHM CO[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000462717386 502547181 /nfs/dbraw/zinc/54/71/81/502547181.db2.gz APHVDBUNQXINSU-VXGBXAGGSA-N -1 3 355.353 3.080 20 0 FGADHM COCCc1nc2cc([N-]S(=O)(=O)CCc3ccccc3)ccc2o1 ZINC000466379741 502554428 /nfs/dbraw/zinc/55/44/28/502554428.db2.gz FWEYODWZCIOXAK-UHFFFAOYSA-N -1 3 360.435 3.001 20 0 FGADHM CCSc1ccc(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)cc1 ZINC000480404469 502558950 /nfs/dbraw/zinc/55/89/50/502558950.db2.gz PJDBYQABTCUECE-UHFFFAOYSA-N -1 3 350.465 3.422 20 0 FGADHM CCOc1ccc(CN(C)C(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)cc1 ZINC000484088281 502567658 /nfs/dbraw/zinc/56/76/58/502567658.db2.gz ZNNUPQSYAOENFJ-UHFFFAOYSA-N -1 3 372.371 3.477 20 0 FGADHM Cc1ccn2cc(CNc3ccc(-c4nc(C)c(C)c(=O)[n-]4)cn3)nc2c1 ZINC000462789556 502574428 /nfs/dbraw/zinc/57/44/28/502574428.db2.gz JWQJLYXTXQPYOH-UHFFFAOYSA-N -1 3 360.421 3.429 20 0 FGADHM [O-]c1cccnc1CNc1nn2cc(-c3ccc(Cl)cc3)nc2s1 ZINC000480579011 502609631 /nfs/dbraw/zinc/60/96/31/502609631.db2.gz OEWXSBSQQURKJL-UHFFFAOYSA-N -1 3 357.826 3.246 20 0 FGADHM COCCCC[C@@H](NC(=O)Cc1c(C)nc(C)[n-]c1=O)c1ccccc1 ZINC000473516649 502619519 /nfs/dbraw/zinc/61/95/19/502619519.db2.gz CYTNTIONNLQBSP-GOSISDBHSA-N -1 3 357.454 3.016 20 0 FGADHM Cc1ccc(-c2nnc(NC(=O)[C@H]3CCN(c4ccccc4)[C@@H]3C)[n-]2)o1 ZINC000476919621 502621205 /nfs/dbraw/zinc/62/12/05/502621205.db2.gz HSNMDMQHMFQDOL-HIFRSBDPSA-N -1 3 351.410 3.227 20 0 FGADHM Cc1ccc(-c2n[n-]c(NC(=O)[C@H]3CCN(c4ccccc4)[C@@H]3C)n2)o1 ZINC000476919621 502621211 /nfs/dbraw/zinc/62/12/11/502621211.db2.gz HSNMDMQHMFQDOL-HIFRSBDPSA-N -1 3 351.410 3.227 20 0 FGADHM Cc1ccc(-c2nc(NC(=O)[C@H]3CCN(c4ccccc4)[C@@H]3C)n[n-]2)o1 ZINC000476919621 502621215 /nfs/dbraw/zinc/62/12/15/502621215.db2.gz HSNMDMQHMFQDOL-HIFRSBDPSA-N -1 3 351.410 3.227 20 0 FGADHM COCCC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000480631115 502628091 /nfs/dbraw/zinc/62/80/91/502628091.db2.gz PVTGHUBMFSFPGD-KRWDZBQOSA-N -1 3 369.433 3.281 20 0 FGADHM Cc1c(NC(=O)c2cc(-c3ccco3)[n-]n2)cccc1NC(=O)N(C)C ZINC000473543790 502630480 /nfs/dbraw/zinc/63/04/80/502630480.db2.gz CKPWYZSJPRWCQP-UHFFFAOYSA-N -1 3 353.382 3.324 20 0 FGADHM Cc1c(NC(=O)c2cc(-c3ccco3)n[n-]2)cccc1NC(=O)N(C)C ZINC000473543790 502630484 /nfs/dbraw/zinc/63/04/84/502630484.db2.gz CKPWYZSJPRWCQP-UHFFFAOYSA-N -1 3 353.382 3.324 20 0 FGADHM CC[C@@H](Cc1cccc(Br)c1)C(=O)NCc1ncccc1[O-] ZINC000473629370 502660418 /nfs/dbraw/zinc/66/04/18/502660418.db2.gz CYOZKLLVSDWQOJ-ZDUSSCGKSA-N -1 3 363.255 3.435 20 0 FGADHM Cn1nc(-c2ccccc2)nc1[N-]C(=O)[C@@H](OC(C)(C)C)c1ccccc1 ZINC000484574855 502673867 /nfs/dbraw/zinc/67/38/67/502673867.db2.gz REJNIOLXHJWNMP-KRWDZBQOSA-N -1 3 364.449 3.399 20 0 FGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@@H](C(C)C)C(C)(C)O)cc1Cl ZINC000480846699 502687635 /nfs/dbraw/zinc/68/76/35/502687635.db2.gz VBKXGOHHEIGBHJ-ZDUSSCGKSA-N -1 3 370.298 3.076 20 0 FGADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H]1[C@H]2Cc3ccccc3[C@@H]12 ZINC000477162515 502695696 /nfs/dbraw/zinc/69/56/96/502695696.db2.gz JSWJBAQUSRBHIL-CGTJXYLNSA-N -1 3 357.406 3.497 20 0 FGADHM CC(C)[C@H]([N-]S(=O)(=O)Cc1c(Cl)cccc1Cl)C(C)(C)O ZINC000480883820 502697901 /nfs/dbraw/zinc/69/79/01/502697901.db2.gz LNBVPYZLGYSOEY-ZDUSSCGKSA-N -1 3 354.299 3.208 20 0 FGADHM CC(C)=CCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000480928607 502707590 /nfs/dbraw/zinc/70/75/90/502707590.db2.gz FTNRWNFEZGQHNG-UHFFFAOYSA-N -1 3 362.426 3.323 20 0 FGADHM Cc1cc(F)c(Br)cc1NC(=O)NCc1ncccc1[O-] ZINC000470245101 502715830 /nfs/dbraw/zinc/71/58/30/502715830.db2.gz IZGLSEJHHJBAPM-UHFFFAOYSA-N -1 3 354.179 3.319 20 0 FGADHM O=C(NCc1ncccc1[O-])Nc1c(F)cc(F)cc1Br ZINC000470256553 502717073 /nfs/dbraw/zinc/71/70/73/502717073.db2.gz VOVITZVVJJBJJZ-UHFFFAOYSA-N -1 3 358.142 3.150 20 0 FGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@H]1CCCc2ccc(F)cc21 ZINC000480981417 502719045 /nfs/dbraw/zinc/71/90/45/502719045.db2.gz CKIPTHHJSOHVRW-ZDUSSCGKSA-N -1 3 369.439 3.030 20 0 FGADHM COc1ccc(SCCCC(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)cc1 ZINC000473850454 502723640 /nfs/dbraw/zinc/72/36/40/502723640.db2.gz NRMBOAGOIPPFFM-INIZCTEOSA-N -1 3 361.467 3.203 20 0 FGADHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1ncoc1-c1ccccc1Cl ZINC000473854772 502726475 /nfs/dbraw/zinc/72/64/75/502726475.db2.gz KNIUIMBJNGZKDJ-ZDUSSCGKSA-N -1 3 358.785 3.244 20 0 FGADHM Cc1cc(S(=O)(=O)[N-][C@@H](CCO)C2CCCCC2)sc1Cl ZINC000473857254 502727363 /nfs/dbraw/zinc/72/73/63/502727363.db2.gz XHUGRMBNHYEBJM-LBPRGKRZSA-N -1 3 351.921 3.320 20 0 FGADHM O=C(C[C@@H](c1ccccc1)C(F)(F)F)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000473855738 502727749 /nfs/dbraw/zinc/72/77/49/502727749.db2.gz JPBKRGVOSVSQTC-JSGCOSHPSA-N -1 3 353.344 3.358 20 0 FGADHM Cc1ncc(CNC(=O)Nc2cc(F)c(Br)cc2C)c(=O)[n-]1 ZINC000473856652 502727918 /nfs/dbraw/zinc/72/79/18/502727918.db2.gz FGXHFELNXOIBCY-UHFFFAOYSA-N -1 3 369.194 3.022 20 0 FGADHM CC(C)c1nc(Cn2cc(C(=O)Nc3ccccc3[O-])ccc2=O)cs1 ZINC000473866090 502730972 /nfs/dbraw/zinc/73/09/72/502730972.db2.gz TXDYOBDPMMISRA-UHFFFAOYSA-N -1 3 369.446 3.434 20 0 FGADHM C[C@@H]1CCc2sc(C(=O)Nc3ccc(Cc4nnn[n-]4)cc3)cc2C1 ZINC000473892656 502740654 /nfs/dbraw/zinc/74/06/54/502740654.db2.gz DBALXZLSLFQQCB-LLVKDONJSA-N -1 3 353.451 3.229 20 0 FGADHM C[C@@H]1CCc2sc(C(=O)Nc3ccc(Cc4nn[n-]n4)cc3)cc2C1 ZINC000473892656 502740656 /nfs/dbraw/zinc/74/06/56/502740656.db2.gz DBALXZLSLFQQCB-LLVKDONJSA-N -1 3 353.451 3.229 20 0 FGADHM CCn1c(=O)oc2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3F)ccc21 ZINC000466968555 502741678 /nfs/dbraw/zinc/74/16/78/502741678.db2.gz ZIPBQIRZSHLXOD-UHFFFAOYSA-N -1 3 370.789 3.208 20 0 FGADHM Cn1[n-]c(-c2ccccc2Cl)nc1=NC(=O)CCOc1ccc(F)cc1 ZINC000484877271 502763566 /nfs/dbraw/zinc/76/35/66/502763566.db2.gz GTCCHELSLOJXHD-UHFFFAOYSA-N -1 3 374.803 3.104 20 0 FGADHM CN(C)c1nc(C(=O)N2CCCCC[C@@H]2/C=C/c2ccccc2)cc(=O)[n-]1 ZINC000463338233 502763958 /nfs/dbraw/zinc/76/39/58/502763958.db2.gz XEZZHSLFNJGNDF-GZKZCVOOSA-N -1 3 366.465 3.346 20 0 FGADHM COC(=O)[C@@H](CS(=O)(=O)[N-]c1ccc(C)cc1Cl)c1ccccc1 ZINC000477498413 502789770 /nfs/dbraw/zinc/78/97/70/502789770.db2.gz ICGONGFAMHEVNG-AWEZNQCLSA-N -1 3 367.854 3.347 20 0 FGADHM COC(=O)[C@@H](CS(=O)(=O)[N-]c1ccc(F)cc1Cl)c1ccccc1 ZINC000477505800 502792016 /nfs/dbraw/zinc/79/20/16/502792016.db2.gz RRQZWNPRUWROOC-ZDUSSCGKSA-N -1 3 371.817 3.178 20 0 FGADHM COc1ccc(Br)c(S(=O)(=O)[N-][C@@H]2CCC[C@H](C)C2)c1 ZINC000474072612 502798753 /nfs/dbraw/zinc/79/87/53/502798753.db2.gz LBTMYIIXLVSDLM-WDEREUQCSA-N -1 3 362.289 3.315 20 0 FGADHM COc1cccc(C(=O)Nc2nnc(-c3cc4ccccc4o3)[n-]2)c1OC ZINC000485108289 502815800 /nfs/dbraw/zinc/81/58/00/502815800.db2.gz UIALRRNCDHFMLL-UHFFFAOYSA-N -1 3 364.361 3.487 20 0 FGADHM COc1cccc(C(=O)Nc2nc(-c3cc4ccccc4o3)n[n-]2)c1OC ZINC000485108289 502815801 /nfs/dbraw/zinc/81/58/01/502815801.db2.gz UIALRRNCDHFMLL-UHFFFAOYSA-N -1 3 364.361 3.487 20 0 FGADHM COc1cccc(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)c1OC ZINC000485108289 502815802 /nfs/dbraw/zinc/81/58/02/502815802.db2.gz UIALRRNCDHFMLL-UHFFFAOYSA-N -1 3 364.361 3.487 20 0 FGADHM CC(C)[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC000488826613 502820131 /nfs/dbraw/zinc/82/01/31/502820131.db2.gz OFRILGMLTMCPLY-HIFRSBDPSA-N -1 3 368.474 3.204 20 0 FGADHM CCN(CCc1nccs1)C(=O)Cc1ccc(Br)cc1[O-] ZINC000488908162 502835802 /nfs/dbraw/zinc/83/58/02/502835802.db2.gz AIZAKZRZCIBMAP-UHFFFAOYSA-N -1 3 369.284 3.245 20 0 FGADHM COc1cc(Br)ccc1C(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000500718100 502847224 /nfs/dbraw/zinc/84/72/24/502847224.db2.gz KOEGDKDTNSCIHW-UHFFFAOYSA-N -1 3 363.171 3.088 20 0 FGADHM COc1cc(Br)ccc1C(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000500718100 502847226 /nfs/dbraw/zinc/84/72/26/502847226.db2.gz KOEGDKDTNSCIHW-UHFFFAOYSA-N -1 3 363.171 3.088 20 0 FGADHM COc1cc(Br)ccc1C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000500718100 502847231 /nfs/dbraw/zinc/84/72/31/502847231.db2.gz KOEGDKDTNSCIHW-UHFFFAOYSA-N -1 3 363.171 3.088 20 0 FGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]C(C)(C)c1cccs1 ZINC000513143770 502862353 /nfs/dbraw/zinc/86/23/53/502862353.db2.gz PHMKGMXEBYYHDM-UHFFFAOYSA-N -1 3 373.883 3.402 20 0 FGADHM Cc1ccc(-c2ccnn2C)cc1NC(=O)c1cc(F)cc2[n-]nnc21 ZINC000505217869 502871503 /nfs/dbraw/zinc/87/15/03/502871503.db2.gz MAUZAGVEJGQDQI-UHFFFAOYSA-N -1 3 350.357 3.058 20 0 FGADHM Cc1ccc(-c2ccnn2C)cc1NC(=O)c1cc(F)cc2nn[n-]c21 ZINC000505217869 502871505 /nfs/dbraw/zinc/87/15/05/502871505.db2.gz MAUZAGVEJGQDQI-UHFFFAOYSA-N -1 3 350.357 3.058 20 0 FGADHM Cc1ccc(-c2ccnn2C)cc1NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000505217869 502871509 /nfs/dbraw/zinc/87/15/09/502871509.db2.gz MAUZAGVEJGQDQI-UHFFFAOYSA-N -1 3 350.357 3.058 20 0 FGADHM Cc1ncc([N-]C(=O)c2nnn(-c3ccccc3F)c2C(F)(F)F)s1 ZINC000500907639 502890825 /nfs/dbraw/zinc/89/08/25/502890825.db2.gz CYRJILGFJZQJBH-UHFFFAOYSA-N -1 3 371.319 3.442 20 0 FGADHM COCCC[C@@H](C[N-]S(=O)(=O)c1ccco1)c1ccc(Cl)cc1 ZINC000509568389 502937323 /nfs/dbraw/zinc/93/73/23/502937323.db2.gz DBCZXGSEBCCLRI-AWEZNQCLSA-N -1 3 357.859 3.422 20 0 FGADHM COc1cccc(C[C@H](C)[N-]S(=O)(=O)c2cc(OC)ccc2Cl)c1 ZINC000497406411 502950780 /nfs/dbraw/zinc/95/07/80/502950780.db2.gz GGNHVIWEUCDZNQ-LBPRGKRZSA-N -1 3 369.870 3.267 20 0 FGADHM COc1cc(C(=O)N(C[C@@H](C)c2ccccc2)[C@@H](C)CO)cc(OC)c1[O-] ZINC000489448944 502961296 /nfs/dbraw/zinc/96/12/96/502961296.db2.gz LMVUHSPINYEHSD-CABCVRRESA-N -1 3 373.449 3.036 20 0 FGADHM Cc1ccc2[n-]cc(C(=O)N3CCO[C@H](c4cccs4)C3)c(=O)c2c1 ZINC000501267315 502971464 /nfs/dbraw/zinc/97/14/64/502971464.db2.gz ZQVCTIIABRURNE-INIZCTEOSA-N -1 3 354.431 3.112 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)c1ccc(Cl)cn1 ZINC000509753004 502980132 /nfs/dbraw/zinc/98/01/32/502980132.db2.gz VKXZGWSPXKPJRG-SSDOTTSWSA-N -1 3 350.749 3.192 20 0 FGADHM CCc1[n-][nH]c(=NC(=O)c2cc(Br)c(C)cc2OC)c1C ZINC000497554017 502986398 /nfs/dbraw/zinc/98/63/98/502986398.db2.gz WZQGZRDZSXKJAI-UHFFFAOYSA-N -1 3 352.232 3.034 20 0 FGADHM C[C@H]1Cc2ccc(Br)cc2CN1C(=O)c1ccc2n[n-]nc2c1 ZINC000501360796 502991998 /nfs/dbraw/zinc/99/19/98/502991998.db2.gz DHQBBRDGGHJQIJ-JTQLQIEISA-N -1 3 371.238 3.307 20 0 FGADHM COc1cc(C(=O)NCCc2ccc(F)c(Br)c2)ccc1[O-] ZINC000509823525 502992897 /nfs/dbraw/zinc/99/28/97/502992897.db2.gz ZIDFFOGOHMJRPK-UHFFFAOYSA-N -1 3 368.202 3.275 20 0 FGADHM 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Cc1cc(C(=O)N2CCC[C@@H]2c2ccc(Br)cc2)[n-]c(=O)n1 ZINC000490543059 503192347 /nfs/dbraw/zinc/19/23/47/503192347.db2.gz JQZJPOLEKVXTCY-CQSZACIVSA-N -1 3 362.227 3.230 20 0 FGADHM CCOc1ccccc1Oc1ccccc1C(=O)Nc1nnc(OC)[n-]1 ZINC000490662967 503211019 /nfs/dbraw/zinc/21/10/19/503211019.db2.gz WFVBQNCBCJIOFN-UHFFFAOYSA-N -1 3 354.366 3.257 20 0 FGADHM CCOc1ccccc1Oc1ccccc1C(=O)Nc1n[n-]c(OC)n1 ZINC000490662967 503211024 /nfs/dbraw/zinc/21/10/24/503211024.db2.gz WFVBQNCBCJIOFN-UHFFFAOYSA-N -1 3 354.366 3.257 20 0 FGADHM CCOc1ccccc1Oc1ccccc1C(=O)Nc1nc(OC)n[n-]1 ZINC000490662967 503211026 /nfs/dbraw/zinc/21/10/26/503211026.db2.gz WFVBQNCBCJIOFN-UHFFFAOYSA-N -1 3 354.366 3.257 20 0 FGADHM Cc1oc2ncnc([N-]C(=O)c3ncsc3Br)c2c1C ZINC000514867480 503214965 /nfs/dbraw/zinc/21/49/65/503214965.db2.gz PDGIYPINKGMWNK-UHFFFAOYSA-N -1 3 353.201 3.311 20 0 FGADHM COc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc(OC)c1C(C)C ZINC000510973152 503228500 /nfs/dbraw/zinc/22/85/00/503228500.db2.gz BPLDBCIOHYKZRW-UHFFFAOYSA-N -1 3 367.409 3.260 20 0 FGADHM COc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc(OC)c1C(C)C ZINC000510973152 503228506 /nfs/dbraw/zinc/22/85/06/503228506.db2.gz BPLDBCIOHYKZRW-UHFFFAOYSA-N -1 3 367.409 3.260 20 0 FGADHM CCOC(=O)c1ccc(NC(=O)c2ccc3c(c2)CCCC3=O)c([O-])c1 ZINC000490794370 503229016 /nfs/dbraw/zinc/22/90/16/503229016.db2.gz NCHODSNUPZIBBQ-UHFFFAOYSA-N -1 3 353.374 3.340 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1ccccc1-c1ccno1)c1c(F)cncc1F ZINC000511036438 503238955 /nfs/dbraw/zinc/23/89/55/503238955.db2.gz YDOQWPMGFIOPPA-JTQLQIEISA-N -1 3 365.361 3.054 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)c1c(F)cncc1F ZINC000511036214 503239310 /nfs/dbraw/zinc/23/93/10/503239310.db2.gz VBSXUADOVXBAFN-ZETCQYMHSA-N -1 3 350.749 3.192 20 0 FGADHM CC(C)Sc1ccccc1NC(=O)c1cncc([N-]S(C)(=O)=O)c1 ZINC000502623133 503240303 /nfs/dbraw/zinc/24/03/03/503240303.db2.gz LQYNUQUWOCYTNE-UHFFFAOYSA-N -1 3 365.480 3.206 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc4nnc(C)n4c3)c2)n1 ZINC000511059299 503243677 /nfs/dbraw/zinc/24/36/77/503243677.db2.gz LKGORBBXWXMLSU-UHFFFAOYSA-N -1 3 374.404 3.015 20 0 FGADHM Cc1csc(-c2cccc(C(=O)N=c3cc(OC(F)F)n(C)[n-]3)c2)n1 ZINC000490945446 503250015 /nfs/dbraw/zinc/25/00/15/503250015.db2.gz TUAKOZHPQKPJMI-UHFFFAOYSA-N -1 3 364.377 3.128 20 0 FGADHM C[C@H](NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl)c1cccnc1 ZINC000507210207 503251149 /nfs/dbraw/zinc/25/11/49/503251149.db2.gz JZIRTEJNSVZBGD-NSHDSACASA-N -1 3 374.293 3.018 20 0 FGADHM C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)N=c1cc(OC(F)F)n(C)[n-]1 ZINC000490984229 503255004 /nfs/dbraw/zinc/25/50/04/503255004.db2.gz CKBHKOHMPXQAHY-LLVKDONJSA-N -1 3 367.396 3.147 20 0 FGADHM CC(C)CN(C)C(=O)c1sccc1S(=O)(=O)[N-]Cc1cccs1 ZINC000511167727 503272958 /nfs/dbraw/zinc/27/29/58/503272958.db2.gz JDBBPKAHGOVRFK-UHFFFAOYSA-N -1 3 372.537 3.016 20 0 FGADHM Clc1ccc(C[C@@H](N=c2ncnc3[nH][n-]cc2-3)c2ccccn2)cc1 ZINC000502807532 503277528 /nfs/dbraw/zinc/27/75/28/503277528.db2.gz VGGLHVIARHPTPB-MRXNPFEDSA-N -1 3 350.813 3.171 20 0 FGADHM COc1cc(C(=O)N[C@@H]2CCCO[C@@H]2c2ccc(C)cc2)cc(OC)c1[O-] ZINC000491136162 503278593 /nfs/dbraw/zinc/27/85/93/503278593.db2.gz BCEADEPGZJACIM-OXQOHEQNSA-N -1 3 371.433 3.368 20 0 FGADHM COc1ccc(C(=O)C(=O)[N-]c2nccn2-c2ccccc2)cc1Cl ZINC000511337947 503302042 /nfs/dbraw/zinc/30/20/42/503302042.db2.gz OBCGMETVENZCLK-UHFFFAOYSA-N -1 3 355.781 3.356 20 0 FGADHM C[C@H]1CCCC[C@H]1OCC(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000511358140 503306220 /nfs/dbraw/zinc/30/62/20/503306220.db2.gz ATPWLFWMABLHEO-SMDDNHRTSA-N -1 3 366.259 3.053 20 0 FGADHM COC(=O)c1c(C)nc(=O)[n-]c1S[C@H](C(=O)c1ccccc1)C(C)C ZINC000515289281 503307085 /nfs/dbraw/zinc/30/70/85/503307085.db2.gz WBDUWBPQWGHSSG-HNNXBMFYSA-N -1 3 360.435 3.277 20 0 FGADHM CC(C)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cncc(Br)c2)C1 ZINC000507509666 503311440 /nfs/dbraw/zinc/31/14/40/503311440.db2.gz UKXLIVKIPODSMC-AAEUAGOBSA-N -1 3 361.305 3.337 20 0 FGADHM COc1ccc([O-])c(C(=O)N2CCCN(c3ccccc3Cl)CC2)c1 ZINC000515325939 503314874 /nfs/dbraw/zinc/31/48/74/503314874.db2.gz LASFTRVBJJNGEY-UHFFFAOYSA-N -1 3 360.841 3.407 20 0 FGADHM CO[C@@H](C)CS(=O)(=O)[N-]c1cccc(COc2ccc(F)cc2)c1 ZINC000507548102 503319586 /nfs/dbraw/zinc/31/95/86/503319586.db2.gz IJNBIRFELJTYJN-ZDUSSCGKSA-N -1 3 353.415 3.181 20 0 FGADHM COC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1C[C@@H](C)[C@H]1c1ccccc1 ZINC000499061947 503323931 /nfs/dbraw/zinc/32/39/31/503323931.db2.gz DKJSRAOUANPYII-ABAIWWIYSA-N -1 3 372.446 3.001 20 0 FGADHM CCN=c1[n-]c(C(=O)N[C@H](c2cccc(F)c2)c2ccccn2)cs1 ZINC000499102310 503334478 /nfs/dbraw/zinc/33/44/78/503334478.db2.gz RQXWTWUYEPIJKN-MRXNPFEDSA-N -1 3 356.426 3.050 20 0 FGADHM COc1ccc(OC)c([C@H](C)NC(=O)c2cc(=O)c3ccccc3[n-]2)c1 ZINC000503120143 503350889 /nfs/dbraw/zinc/35/08/89/503350889.db2.gz PFZNKRNPXIJZIA-LBPRGKRZSA-N -1 3 352.390 3.036 20 0 FGADHM CCC(CC)c1n[n-]c(=NC(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)s1 ZINC000503148029 503355267 /nfs/dbraw/zinc/35/52/67/503355267.db2.gz UKHKLGUIPGXZKV-CHWSQXEVSA-N -1 3 353.536 3.106 20 0 FGADHM CCc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)C[C@@H](C)CC)n2)cc1 ZINC000503217218 503369992 /nfs/dbraw/zinc/36/99/92/503369992.db2.gz GVPZRZBHCYVFLN-QWHCGFSZSA-N -1 3 351.472 3.326 20 0 FGADHM CCN1CCC[C@H]1C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000515729642 503391751 /nfs/dbraw/zinc/39/17/51/503391751.db2.gz OVKBKVYMZOOSRH-JTQLQIEISA-N -1 3 371.717 3.409 20 0 FGADHM Cc1noc(COc2ccc(NC(=O)c3cc(-c4ccco4)[n-]n3)cc2)n1 ZINC000511874264 503405673 /nfs/dbraw/zinc/40/56/73/503405673.db2.gz PXLXARXXCLEATI-UHFFFAOYSA-N -1 3 365.349 3.192 20 0 FGADHM Cc1noc(COc2ccc(NC(=O)c3cc(-c4ccco4)n[n-]3)cc2)n1 ZINC000511874264 503405677 /nfs/dbraw/zinc/40/56/77/503405677.db2.gz PXLXARXXCLEATI-UHFFFAOYSA-N -1 3 365.349 3.192 20 0 FGADHM CCC[C@@H](CC)[N-]S(=O)(=O)c1cc(F)c(Br)cc1OC ZINC000503444659 503410642 /nfs/dbraw/zinc/41/06/42/503410642.db2.gz AAAWPHDUXKPOTM-SECBINFHSA-N -1 3 368.268 3.454 20 0 FGADHM O=C(Nc1ccnc(Sc2ccccn2)c1)c1cc(F)cc2[n-]nnc21 ZINC000503455191 503413641 /nfs/dbraw/zinc/41/36/41/503413641.db2.gz QAQQUQBSVJWRND-UHFFFAOYSA-N -1 3 366.381 3.291 20 0 FGADHM O=C(Nc1ccnc(Sc2ccccn2)c1)c1cc(F)cc2nn[n-]c21 ZINC000503455191 503413645 /nfs/dbraw/zinc/41/36/45/503413645.db2.gz QAQQUQBSVJWRND-UHFFFAOYSA-N -1 3 366.381 3.291 20 0 FGADHM O=C(Nc1ccnc(Sc2ccccn2)c1)c1cc(F)cc2n[n-]nc21 ZINC000503455191 503413646 /nfs/dbraw/zinc/41/36/46/503413646.db2.gz QAQQUQBSVJWRND-UHFFFAOYSA-N -1 3 366.381 3.291 20 0 FGADHM O=S(=O)([N-]CCc1cccc(Cl)c1Cl)c1cn2c(n1)CCCC2 ZINC000503454440 503413878 /nfs/dbraw/zinc/41/38/78/503413878.db2.gz KVSSEZDISMPEQT-UHFFFAOYSA-N -1 3 374.293 3.047 20 0 FGADHM CC(C)OCCC[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000493419849 503425957 /nfs/dbraw/zinc/42/59/57/503425957.db2.gz ZOTYFPOKBHVUPR-UHFFFAOYSA-N -1 3 370.696 3.196 20 0 FGADHM CO[C@H](c1ccccc1Cl)[C@H](C)NC(=O)c1cc(F)cc2nn[n-]c21 ZINC000503548472 503434454 /nfs/dbraw/zinc/43/44/54/503434454.db2.gz NKICHKBURQQHDI-FVMDXXJSSA-N -1 3 362.792 3.256 20 0 FGADHM CO[C@H](c1ccccc1Cl)[C@H](C)NC(=O)c1cc(F)cc2[n-]nnc21 ZINC000503548472 503434456 /nfs/dbraw/zinc/43/44/56/503434456.db2.gz NKICHKBURQQHDI-FVMDXXJSSA-N -1 3 362.792 3.256 20 0 FGADHM CO[C@H](c1ccccc1Cl)[C@H](C)NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000503548472 503434461 /nfs/dbraw/zinc/43/44/61/503434461.db2.gz NKICHKBURQQHDI-FVMDXXJSSA-N -1 3 362.792 3.256 20 0 FGADHM O=S(=O)([N-][C@@H]1C=CCCC1)c1cccc(Cl)c1Br ZINC000493770810 503445427 /nfs/dbraw/zinc/44/54/27/503445427.db2.gz WXOXASICEPFZLH-SECBINFHSA-N -1 3 350.665 3.490 20 0 FGADHM Cc1nc(C)c(CCC(=O)N[C@@H](C)c2ccccc2OC(C)C)c(=O)[n-]1 ZINC000611950982 506372212 /nfs/dbraw/zinc/37/22/12/506372212.db2.gz XQDUOTPISXMGNO-ZDUSSCGKSA-N -1 3 357.454 3.396 20 0 FGADHM O=S(=O)([N-]C[C@H]1CCCS1)c1cccc(Cl)c1Br ZINC000493899887 503454985 /nfs/dbraw/zinc/45/49/85/503454985.db2.gz IGLVNDLWJXYWSJ-MRVPVSSYSA-N -1 3 370.721 3.276 20 0 FGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]CCN2CCCC[C@@H]2C)c1Cl ZINC000516180216 503463936 /nfs/dbraw/zinc/46/39/36/503463936.db2.gz UAZIWLVNZJNZEV-LBPRGKRZSA-N -1 3 365.326 3.455 20 0 FGADHM CCC(CC)c1cc(C[N-]S(=O)(=O)c2ccc(N(C)C)cc2)on1 ZINC000493954266 503465106 /nfs/dbraw/zinc/46/51/06/503465106.db2.gz ZSANJRBPSPWBNJ-UHFFFAOYSA-N -1 3 351.472 3.123 20 0 FGADHM Cc1cc(C)cc(-c2cc(=NC(=O)C3CCN(CC(F)F)CC3)[nH][n-]2)c1 ZINC000494004584 503473206 /nfs/dbraw/zinc/47/32/06/503473206.db2.gz RJKXAUHYCWGKPY-UHFFFAOYSA-N -1 3 362.424 3.031 20 0 FGADHM COc1ccc(Nc2nnc(SCc3cc(=O)c([O-])co3)s2)cc1 ZINC000494043159 503478941 /nfs/dbraw/zinc/47/89/41/503478941.db2.gz YJTKMIRCWWJZAN-UHFFFAOYSA-N -1 3 363.420 3.241 20 0 FGADHM O=S(=O)([N-]Cc1ccccc1OCc1ccccc1)c1cncc(F)c1 ZINC000588903883 506374490 /nfs/dbraw/zinc/37/44/90/506374490.db2.gz AOBVJBPPEHRDCW-UHFFFAOYSA-N -1 3 372.421 3.278 20 0 FGADHM CC(C)(C)[C@H]1C[C@@H](NC(=O)Cc2ccc(Br)cc2[O-])CCO1 ZINC000494089245 503486179 /nfs/dbraw/zinc/48/61/79/503486179.db2.gz LJACZVRBQDOPGG-DZGCQCFKSA-N -1 3 370.287 3.407 20 0 FGADHM CC[C@@H](Oc1ccccc1C)C(=O)Nc1nc2cccc(C(=O)OC)c2[n-]1 ZINC000494115736 503490267 /nfs/dbraw/zinc/49/02/67/503490267.db2.gz NEDNBGGXUXVYBU-OAHLLOKOSA-N -1 3 367.405 3.454 20 0 FGADHM CC[C@@H](Oc1ccccc1C)C(=O)Nc1nc2c(cccc2C(=O)OC)[n-]1 ZINC000494115736 503490271 /nfs/dbraw/zinc/49/02/71/503490271.db2.gz NEDNBGGXUXVYBU-OAHLLOKOSA-N -1 3 367.405 3.454 20 0 FGADHM CCOc1cc(O)ccc1NC(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000508470153 503500191 /nfs/dbraw/zinc/50/01/91/503500191.db2.gz SBJYKTGJXGVUQH-UHFFFAOYSA-N -1 3 360.316 3.163 20 0 FGADHM CCOc1cc(O)ccc1NC(=O)c1cnc2c(F)cc(F)cc2c1[O-] ZINC000508470153 503500196 /nfs/dbraw/zinc/50/01/96/503500196.db2.gz SBJYKTGJXGVUQH-UHFFFAOYSA-N -1 3 360.316 3.163 20 0 FGADHM O=C(c1cc([O-])ccc1Cl)N1CCC[C@@H](Oc2ncccc2F)C1 ZINC000508484791 503503324 /nfs/dbraw/zinc/50/33/24/503503324.db2.gz BQBWRVJHTLNFJE-GFCCVEGCSA-N -1 3 350.777 3.263 20 0 FGADHM O=S(=O)([N-][C@H]1C[C@H]1c1ccccc1C(F)(F)F)c1cncc(F)c1 ZINC000588906416 506375946 /nfs/dbraw/zinc/37/59/46/506375946.db2.gz YRIXNUWENHLBKP-JSGCOSHPSA-N -1 3 360.332 3.074 20 0 FGADHM C[C@@]1(C[N-]S(=O)(=O)c2cccs2)CCCN1Cc1ccccc1 ZINC000494295644 503522091 /nfs/dbraw/zinc/52/20/91/503522091.db2.gz MHHIPFASGDNOGF-KRWDZBQOSA-N -1 3 350.509 3.081 20 0 FGADHM C[C@H](Oc1ccc2ccccc2c1)C(=O)[N-]c1ncnn1-c1ccccc1 ZINC000516508934 503523786 /nfs/dbraw/zinc/52/37/86/503523786.db2.gz QTFFVGTVYCDZNM-HNNXBMFYSA-N -1 3 358.401 3.248 20 0 FGADHM CCOC[C@H](C)[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000494325765 503525614 /nfs/dbraw/zinc/52/56/14/503525614.db2.gz FCCNBXBBBOPJEX-JTQLQIEISA-N -1 3 360.888 3.167 20 0 FGADHM CC(C)(C)Oc1cccc(CNC(=O)c2cc(=O)c3ccccc3[n-]2)n1 ZINC000504188798 503536024 /nfs/dbraw/zinc/53/60/24/503536024.db2.gz WKORSDDXPHSXRU-UHFFFAOYSA-N -1 3 351.406 3.030 20 0 FGADHM COC(=O)c1sccc1S(=O)(=O)[N-]Cc1ccc(C2CCC2)cc1 ZINC000494407947 503537321 /nfs/dbraw/zinc/53/73/21/503537321.db2.gz BFQBFDBDYIBTQC-UHFFFAOYSA-N -1 3 365.476 3.281 20 0 FGADHM COc1cccc2c(C(=O)Nc3cccc(C[S@@](C)=O)c3C)[n-]nc21 ZINC000516600020 503546514 /nfs/dbraw/zinc/54/65/14/503546514.db2.gz ILGSZZYSNVSDJB-RUZDIDTESA-N -1 3 357.435 3.011 20 0 FGADHM COc1cccc2c(C(=O)Nc3cccc(C[S@@](C)=O)c3C)n[n-]c21 ZINC000516600020 503546515 /nfs/dbraw/zinc/54/65/15/503546515.db2.gz ILGSZZYSNVSDJB-RUZDIDTESA-N -1 3 357.435 3.011 20 0 FGADHM CCN(CC)CCS(=O)(=O)[N-]C(c1cccs1)c1cccs1 ZINC000516606851 503548187 /nfs/dbraw/zinc/54/81/87/503548187.db2.gz WIABMUIWBLHGPE-UHFFFAOYSA-N -1 3 358.554 3.160 20 0 FGADHM CCOCCCC[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000508796893 503565716 /nfs/dbraw/zinc/56/57/16/503565716.db2.gz TZCCSVWIOGPTNA-UHFFFAOYSA-N -1 3 359.797 3.454 20 0 FGADHM COC(=O)c1cc(C(=O)Nc2cc(-c3ccc(Cl)s3)nn2C)c[n-]1 ZINC000508805892 503566868 /nfs/dbraw/zinc/56/68/68/503566868.db2.gz IGGNVXNXCHXZIQ-UHFFFAOYSA-N -1 3 364.814 3.169 20 0 FGADHM O=S(=O)([N-][C@@H]1CCC[C@H]1CCO)c1c(Cl)ccc2ccccc21 ZINC000494594729 503570813 /nfs/dbraw/zinc/57/08/13/503570813.db2.gz AQYXEITVXHSDGU-XJKSGUPXSA-N -1 3 353.871 3.323 20 0 FGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1 ZINC000494603262 503572076 /nfs/dbraw/zinc/57/20/76/503572076.db2.gz SBKQJHGDVAEQHT-KBPBESRZSA-N -1 3 364.854 3.454 20 0 FGADHM COC(=O)c1ccc(S(=O)(=O)[N-]CC[C@H](C)c2ccccc2)s1 ZINC000504478530 503579107 /nfs/dbraw/zinc/57/91/07/503579107.db2.gz XDXQUAPKHLVXEP-LBPRGKRZSA-N -1 3 353.465 3.007 20 0 FGADHM COc1c(C)cc(S(=O)(=O)[N-]c2ccc(-n3cccn3)cc2)cc1C ZINC000512572285 503587172 /nfs/dbraw/zinc/58/71/72/503587172.db2.gz JADIMLBMTIFEIS-UHFFFAOYSA-N -1 3 357.435 3.299 20 0 FGADHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-][C@H](C)C2CCCCC2)s1 ZINC000608027770 506381451 /nfs/dbraw/zinc/38/14/51/506381451.db2.gz QQVWHYFKXQNYLG-NEPJUHHUSA-N -1 3 358.529 3.192 20 0 FGADHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-][C@H](C)C2CCCCC2)s1 ZINC000608027773 506381856 /nfs/dbraw/zinc/38/18/56/506381856.db2.gz QQVWHYFKXQNYLG-VXGBXAGGSA-N -1 3 358.529 3.192 20 0 FGADHM CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)CNC(=O)c1cccc([O-])c1 ZINC000494817941 503616213 /nfs/dbraw/zinc/61/62/13/503616213.db2.gz IDACEXISRSJQKR-PMACEKPBSA-N -1 3 366.461 3.307 20 0 FGADHM COC(=O)COc1ccc([C@@H](C)NC(=O)c2cc([O-])ccc2Cl)cc1 ZINC000500407649 503616347 /nfs/dbraw/zinc/61/63/47/503616347.db2.gz AEIIBNNNNRORCX-LLVKDONJSA-N -1 3 363.797 3.088 20 0 FGADHM O=C(CNC(=O)c1cccc([O-])c1)Nc1ccc2nc(C3CC3)sc2c1 ZINC000494835862 503619754 /nfs/dbraw/zinc/61/97/54/503619754.db2.gz KSGHYSDSKAWMOP-UHFFFAOYSA-N -1 3 367.430 3.248 20 0 FGADHM COC(=O)C1(CS(=O)(=O)[N-]c2cc(Cl)ccc2Cl)CCCC1 ZINC000516933250 503622360 /nfs/dbraw/zinc/62/23/60/503622360.db2.gz XVQCWSZTAWTACM-UHFFFAOYSA-N -1 3 366.266 3.469 20 0 FGADHM Cc1ccc([O-])c(CN[C@H]2COc3cc(F)c(Br)cc32)n1 ZINC000500474088 503632293 /nfs/dbraw/zinc/63/22/93/503632293.db2.gz CNZWORAZKBHQQK-ZDUSSCGKSA-N -1 3 353.191 3.221 20 0 FGADHM COC(=O)c1csc(S(=O)(=O)[N-][C@@H](C)c2cc(C)cc(C)c2)c1 ZINC000500498807 503637290 /nfs/dbraw/zinc/63/72/90/503637290.db2.gz OCNHLIWSEHMVCR-LBPRGKRZSA-N -1 3 353.465 3.191 20 0 FGADHM O=S(=O)([N-]CCNCc1ccsc1)c1cccc(Cl)c1Cl ZINC000512896595 503651246 /nfs/dbraw/zinc/65/12/46/503651246.db2.gz WHQLGZWMTBZAJX-UHFFFAOYSA-N -1 3 365.307 3.123 20 0 FGADHM O=S(=O)([N-]C[C@H]1CCCCS1)c1cc(Br)ccc1F ZINC000543168937 503656809 /nfs/dbraw/zinc/65/68/09/503656809.db2.gz KVSOQWPFFSHWHC-SNVBAGLBSA-N -1 3 368.293 3.152 20 0 FGADHM C[C@@H]1C[C@@H](CC[N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)CCO1 ZINC000543171006 503658248 /nfs/dbraw/zinc/65/82/48/503658248.db2.gz QMZGZYJMYCOAKI-MNOVXSKESA-N -1 3 352.283 3.477 20 0 FGADHM CC(C)CN(Cc1cccc(C(F)(F)F)c1)C(=O)c1cc(=O)[n-]cn1 ZINC000529693230 503658672 /nfs/dbraw/zinc/65/86/72/503658672.db2.gz HEGIMLYFNJHTQN-UHFFFAOYSA-N -1 3 353.344 3.499 20 0 FGADHM O=S(=O)([N-]Cc1nc2c(s1)C[C@H](c1ccccc1)CC2)c1ccco1 ZINC000527077428 503669926 /nfs/dbraw/zinc/66/99/26/503669926.db2.gz WBUBVMKTAYQPHJ-CQSZACIVSA-N -1 3 374.487 3.487 20 0 FGADHM CC(C)C(=O)Nc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCCO3)c1 ZINC000536674410 503673144 /nfs/dbraw/zinc/67/31/44/503673144.db2.gz 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/nfs/dbraw/zinc/71/93/82/503719382.db2.gz SIJOYVKFBJBLRA-QGZVFWFLSA-N -1 3 351.454 3.359 20 0 FGADHM O=C(NCc1ncccc1[O-])c1ccc(N2CCc3ccccc3C2)cc1 ZINC000527210088 503720836 /nfs/dbraw/zinc/72/08/36/503720836.db2.gz YKRJVNCWJASFRP-UHFFFAOYSA-N -1 3 359.429 3.280 20 0 FGADHM CCNC(=O)c1cccc(NC(=O)c2cc([O-])ccc2C(F)(F)F)c1 ZINC000527219796 503725190 /nfs/dbraw/zinc/72/51/90/503725190.db2.gz LWJWUWZDJJLVHG-UHFFFAOYSA-N -1 3 352.312 3.413 20 0 FGADHM O=C(Nc1cc(C2CC2)nn1-c1ccccc1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000517391459 503732932 /nfs/dbraw/zinc/73/29/32/503732932.db2.gz NENCTVVEGAKNMV-UHFFFAOYSA-N -1 3 361.405 3.375 20 0 FGADHM CC(C)(CC(=O)Nc1ccc(C[C@@H]2NC(=O)[N-]C2=O)cc1)C1CCCCC1 ZINC000527251301 503739935 /nfs/dbraw/zinc/73/99/35/503739935.db2.gz BIFYYGRITQJELA-KRWDZBQOSA-N -1 3 371.481 3.372 20 0 FGADHM CC[C@@H](C[N-]S(=O)(=O)c1cnc(C)s1)Oc1ccccc1Cl ZINC000533175572 503749573 /nfs/dbraw/zinc/74/95/73/503749573.db2.gz GSZLSBWYYBCIJE-NSHDSACASA-N -1 3 360.888 3.241 20 0 FGADHM 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/nfs/dbraw/zinc/77/46/08/503774608.db2.gz CCKGPFWBODWNMQ-GXTWGEPZSA-N -1 3 369.849 3.049 20 0 FGADHM COCCSc1ccc([C@H](C)NC(=O)c2cccc3nn[n-]c32)cc1 ZINC000527356594 503775889 /nfs/dbraw/zinc/77/58/89/503775889.db2.gz NVMJPMYMIUMODH-LBPRGKRZSA-N -1 3 356.451 3.187 20 0 FGADHM COCCSc1ccc([C@H](C)NC(=O)c2cccc3[n-]nnc32)cc1 ZINC000527356594 503775890 /nfs/dbraw/zinc/77/58/90/503775890.db2.gz NVMJPMYMIUMODH-LBPRGKRZSA-N -1 3 356.451 3.187 20 0 FGADHM COCCSc1ccc([C@H](C)NC(=O)c2cccc3n[n-]nc32)cc1 ZINC000527356594 503775892 /nfs/dbraw/zinc/77/58/92/503775892.db2.gz NVMJPMYMIUMODH-LBPRGKRZSA-N -1 3 356.451 3.187 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@H]2CCC[C@H](C)C2)c1-c1ccc2c(c1)OCCO2 ZINC000533261775 503783168 /nfs/dbraw/zinc/78/31/68/503783168.db2.gz ZMLJXUQQCBAQPV-WFASDCNBSA-N -1 3 355.438 3.343 20 0 FGADHM CSc1n[n-]c(NC(=O)[C@H](C)Sc2ccc(Br)cc2)n1 ZINC000589692165 506631786 /nfs/dbraw/zinc/63/17/86/506631786.db2.gz ZSEZZTCZPTVDPU-ZETCQYMHSA-N -1 3 373.301 3.408 20 0 FGADHM CSc1nc(NC(=O)[C@H](C)Sc2ccc(Br)cc2)n[n-]1 ZINC000589692165 506631793 /nfs/dbraw/zinc/63/17/93/506631793.db2.gz ZSEZZTCZPTVDPU-ZETCQYMHSA-N -1 3 373.301 3.408 20 0 FGADHM CO[C@@H](c1ccccc1F)[C@@H](C)NC(=O)NCc1ccc([O-])c(F)c1 ZINC000540499566 503794917 /nfs/dbraw/zinc/79/49/17/503794917.db2.gz IQOICIGQBKJTSY-PIGZYNQJSA-N -1 3 350.365 3.246 20 0 FGADHM C[C@H]1CN(C)CCN1Cc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000533304981 503800714 /nfs/dbraw/zinc/80/07/14/503800714.db2.gz XOVDVNXHSKRQMZ-ZDUSSCGKSA-N -1 3 354.479 3.200 20 0 FGADHM CCc1ncc(S(=O)(=O)[N-][C@H]2CCCO[C@H]2c2ccc(C)cc2)s1 ZINC000546598353 503802912 /nfs/dbraw/zinc/80/29/12/503802912.db2.gz FCNXSCTWJTXSGY-YOEHRIQHSA-N -1 3 366.508 3.213 20 0 FGADHM Cc1cc([N-]C(=O)[C@H](C)N[C@@H](C)c2nc(-c3ccc(C)c(F)c3)no2)on1 ZINC000543544002 503807241 /nfs/dbraw/zinc/80/72/41/503807241.db2.gz PLWCMLPOXWOFKY-RYUDHWBXSA-N -1 3 373.388 3.158 20 0 FGADHM CCN1CCCC[C@H]1C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000517707970 503813501 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Cc1[n-][nH]c(=O)c1CCNC(=O)c1ccc(Sc2ccccc2C)cc1 ZINC000533451396 503852081 /nfs/dbraw/zinc/85/20/81/503852081.db2.gz CCLBSPIDKMWNII-QGZVFWFLSA-N -1 3 367.474 3.388 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)CCOc3cc(C)cc(C)c3)[n-]c21 ZINC000533463530 503854941 /nfs/dbraw/zinc/85/49/41/503854941.db2.gz GDPNWNNDLMRMGH-UHFFFAOYSA-N -1 3 367.405 3.374 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)CCOc3cc(C)cc(C)c3)nc21 ZINC000533463530 503854946 /nfs/dbraw/zinc/85/49/46/503854946.db2.gz GDPNWNNDLMRMGH-UHFFFAOYSA-N -1 3 367.405 3.374 20 0 FGADHM CSc1ccccc1OC[C@@H](O)CN(Cc1ncccc1[O-])C(C)C ZINC000517891526 503859358 /nfs/dbraw/zinc/85/93/58/503859358.db2.gz LRKKTKNFVILAPP-HNNXBMFYSA-N -1 3 362.495 3.159 20 0 FGADHM CC1(C)CCc2cccc(NC(=O)Nc3ccc4c(c3)C(=O)[N-]C4=O)c2O1 ZINC000530192198 503868458 /nfs/dbraw/zinc/86/84/58/503868458.db2.gz CFGWXNRZFXKPTH-UHFFFAOYSA-N -1 3 365.389 3.318 20 0 FGADHM Cc1ncc(S(=O)(=O)[N-][C@H]2CCCc3cn(C4CCCC4)nc32)s1 ZINC000543735645 503871350 /nfs/dbraw/zinc/87/13/50/503871350.db2.gz 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/nfs/dbraw/zinc/63/03/32/504630332.db2.gz WQSBRIKILGQASN-AWEZNQCLSA-N -1 3 351.244 3.071 20 0 FGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CC12CCCCC2 ZINC000536117874 504638823 /nfs/dbraw/zinc/63/88/23/504638823.db2.gz VTZMQSAAXKFEBM-AWEZNQCLSA-N -1 3 357.859 3.128 20 0 FGADHM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2ccc(C)cc2Cl)c1 ZINC000542935186 504664707 /nfs/dbraw/zinc/66/47/07/504664707.db2.gz HKFAOUMHDVKTFZ-UHFFFAOYSA-N -1 3 357.790 3.375 20 0 FGADHM CC[C@H](C)[C@H]([N-]S(C)(=O)=O)C(=O)Nc1ncc(C2CCCCC2)s1 ZINC000542988711 504684850 /nfs/dbraw/zinc/68/48/50/504684850.db2.gz FFLLSTCNXUPFMJ-FZMZJTMJSA-N -1 3 373.544 3.093 20 0 FGADHM CCC(CC)[C@H](C)C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000536398953 504722291 /nfs/dbraw/zinc/72/22/91/504722291.db2.gz DCCKRZGRAVSPOR-NSHDSACASA-N -1 3 356.463 3.277 20 0 FGADHM CCCc1ccc(-c2cc(=NC(=O)c3cnc4nccnc4c3)[nH][n-]2)cc1 ZINC000546156111 504728855 /nfs/dbraw/zinc/72/88/55/504728855.db2.gz TVEYKVMMFLSQLT-UHFFFAOYSA-N -1 3 358.405 3.042 20 0 FGADHM CCOC(=O)c1nc[n-]c1NC(=O)[C@@H](C)Oc1cccc(C(C)(C)C)c1 ZINC000539956687 504747594 /nfs/dbraw/zinc/74/75/94/504747594.db2.gz AXSPLMMVNZRBKO-GFCCVEGCSA-N -1 3 359.426 3.290 20 0 FGADHM CCOC(=O)c1[n-]cnc1NC(=O)[C@@H](C)Oc1cccc(C(C)(C)C)c1 ZINC000539956687 504747596 /nfs/dbraw/zinc/74/75/96/504747596.db2.gz AXSPLMMVNZRBKO-GFCCVEGCSA-N -1 3 359.426 3.290 20 0 FGADHM CCc1cccc(C(=O)Nc2ccc3nc(N4CCOCC4)oc3c2)c1[O-] ZINC000532872579 504769902 /nfs/dbraw/zinc/76/99/02/504769902.db2.gz SUTFENIFJSFMGY-UHFFFAOYSA-N -1 3 367.405 3.185 20 0 FGADHM C[C@H](CCc1ccc(Br)cc1)[N-]S(=O)(=O)c1ccccn1 ZINC000555964896 504773594 /nfs/dbraw/zinc/77/35/94/504773594.db2.gz QPVMDHXQZFKKBM-GFCCVEGCSA-N -1 3 369.284 3.144 20 0 FGADHM CCOc1cc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)ccc1OC ZINC000552857263 504776200 /nfs/dbraw/zinc/77/62/00/504776200.db2.gz YXLVZTXUFQIBPD-LBPRGKRZSA-N -1 3 363.435 3.218 20 0 FGADHM CN(C)c1cc(-c2nc(-c3ccc4n[n-]nc4c3)no2)nc2ccccc21 ZINC000562322011 504783311 /nfs/dbraw/zinc/78/33/11/504783311.db2.gz PSXOPFILGKHYOS-UHFFFAOYSA-N -1 3 357.377 3.289 20 0 FGADHM O=c1[nH]c2ccccc2cc1CCc1nc(-c2ccc3n[n-]nc3c2)no1 ZINC000562321908 504783404 /nfs/dbraw/zinc/78/34/04/504783404.db2.gz BKSUZLZWVKEDNV-UHFFFAOYSA-N -1 3 358.361 3.047 20 0 FGADHM COCC1(CC[N-]S(=O)(=O)c2oc3ccc(F)cc3c2C)CCC1 ZINC000559106866 504783379 /nfs/dbraw/zinc/78/33/79/504783379.db2.gz JSLXIMVXPNWZJN-UHFFFAOYSA-N -1 3 355.431 3.365 20 0 FGADHM COc1ccc2cc(CNC(=O)c3c[n-]c4ccncc4c3=O)ccc2c1 ZINC000552906001 504786659 /nfs/dbraw/zinc/78/66/59/504786659.db2.gz GWZDGRXLNQODLZ-UHFFFAOYSA-N -1 3 359.385 3.015 20 0 FGADHM CCOC(=O)c1[n-]c(C)nc1NC(=O)[C@H](C)c1ccc(C(=O)C(C)C)cc1 ZINC000549300483 504786695 /nfs/dbraw/zinc/78/66/95/504786695.db2.gz KHWGKCYDUBRKFE-GFCCVEGCSA-N -1 3 371.437 3.476 20 0 FGADHM CCOC(=O)c1nc(C)[n-]c1NC(=O)[C@H](C)c1ccc(C(=O)C(C)C)cc1 ZINC000549300483 504786698 /nfs/dbraw/zinc/78/66/98/504786698.db2.gz KHWGKCYDUBRKFE-GFCCVEGCSA-N -1 3 371.437 3.476 20 0 FGADHM 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ZINC000549556000 504849047 /nfs/dbraw/zinc/84/90/47/504849047.db2.gz PVSPIWOMENDQSO-SFHVURJKSA-N -1 3 374.554 3.423 20 0 FGADHM CO[C@@H](c1ccccc1F)[C@@H](C)[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000553204260 504851439 /nfs/dbraw/zinc/85/14/39/504851439.db2.gz KRCCHPRGDRDTAT-QLJPJBMISA-N -1 3 359.369 3.158 20 0 FGADHM CO[C@@H](c1ccccc1F)[C@H](C)[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000553204258 504851554 /nfs/dbraw/zinc/85/15/54/504851554.db2.gz KRCCHPRGDRDTAT-MGPLVRAMSA-N -1 3 359.369 3.158 20 0 FGADHM CC(C)CC(=O)Nc1ccc(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC000553256627 504865498 /nfs/dbraw/zinc/86/54/98/504865498.db2.gz IXKCGWTXMWDBJK-UHFFFAOYSA-N -1 3 354.410 3.297 20 0 FGADHM CCCN(CCN1CCCC1)C(=O)c1cccc(Br)c1[O-] ZINC000553388727 504901506 /nfs/dbraw/zinc/90/15/06/504901506.db2.gz IAIPLFZFEGCBGY-UHFFFAOYSA-N -1 3 355.276 3.103 20 0 FGADHM Cc1ccc2[n-]cc(C(=O)N3CCC[C@H](CC(=O)OC(C)C)C3)c(=O)c2c1 ZINC000553458889 504920461 /nfs/dbraw/zinc/92/04/61/504920461.db2.gz FGPHAFRAQORSQI-OAHLLOKOSA-N -1 3 370.449 3.030 20 0 FGADHM O=S(=O)([N-][C@@H]([C@@H](CO)C1CC1)C1CC1)c1cc(Cl)ccc1Cl ZINC000562735009 504927573 /nfs/dbraw/zinc/92/75/73/504927573.db2.gz CLZKSSWNAZSHIJ-SWLSCSKDSA-N -1 3 364.294 3.069 20 0 FGADHM O=S(=O)([N-]C[C@H]1CCc2ccccc21)c1cccnc1C(F)(F)F ZINC000553491918 504931281 /nfs/dbraw/zinc/93/12/81/504931281.db2.gz QIHHSVZMKTVHES-GFCCVEGCSA-N -1 3 356.369 3.109 20 0 FGADHM C[C@@H](NC(=O)c1cc(=O)[n-]c(C2CC2)n1)c1cccc(N2CCCC2)c1 ZINC000553520173 504938339 /nfs/dbraw/zinc/93/83/39/504938339.db2.gz SJKBSKVDXWPFED-CYBMUJFWSA-N -1 3 352.438 3.151 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N1CC2(CC2)C1 ZINC000565639499 504944540 /nfs/dbraw/zinc/94/45/40/504944540.db2.gz UJFRWSALUWESIF-UHFFFAOYSA-N -1 3 374.437 3.171 20 0 FGADHM O=S(=O)([N-][C@@H]1CC[C@H](F)C1)c1ccc(Br)c(Cl)c1 ZINC000553550559 504946134 /nfs/dbraw/zinc/94/61/34/504946134.db2.gz OCYQUOZEXNKURN-JGVFFNPUSA-N -1 3 356.644 3.271 20 0 FGADHM CC[C@@H]1C[C@H]1[N-]S(=O)(=O)c1cc(Br)cc2cccnc21 ZINC000553557945 504947845 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CCOc1nc2cc(C(=O)N3CCCC[C@@H]3c3nc(C)no3)ccc2[n-]1 ZINC000553732482 504994169 /nfs/dbraw/zinc/99/41/69/504994169.db2.gz WOYHJSMPLJAERX-OAHLLOKOSA-N -1 3 355.398 3.020 20 0 FGADHM CC(=O)c1cccc(NC(=O)c2ccc(CSc3nccn3C)o2)c1[O-] ZINC000556894013 505009030 /nfs/dbraw/zinc/00/90/30/505009030.db2.gz IATFDFGUCUBLOA-UHFFFAOYSA-N -1 3 371.418 3.466 20 0 FGADHM COCc1ccccc1CS(=O)(=O)[N-]Cc1cc(-c2ccccc2)no1 ZINC000553784277 505010627 /nfs/dbraw/zinc/01/06/27/505010627.db2.gz FBCBYKIFAOXCFF-UHFFFAOYSA-N -1 3 372.446 3.108 20 0 FGADHM CO[C@H](C[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)C(C)(C)C ZINC000553842548 505023831 /nfs/dbraw/zinc/02/38/31/505023831.db2.gz ZLZFOXHVGZGXQK-LLVKDONJSA-N -1 3 373.368 3.064 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1ccc(Br)o1)c1ccc(Cl)cn1 ZINC000553876789 505031192 /nfs/dbraw/zinc/03/11/92/505031192.db2.gz PSUHHNCKWVDKBS-ZETCQYMHSA-N -1 3 365.636 3.130 20 0 FGADHM CN(C)C[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)c1ccc(F)cc1 ZINC000553885709 505032778 /nfs/dbraw/zinc/03/27/78/505032778.db2.gz 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/nfs/dbraw/zinc/45/41/95/505454195.db2.gz MHIIZTZPLBFYIA-UHFFFAOYSA-N -1 3 372.182 3.332 20 0 FGADHM O=C(Nc1cnc2c(Br)cccn12)c1cc(-c2ccco2)n[n-]1 ZINC000552298941 505454200 /nfs/dbraw/zinc/45/42/00/505454200.db2.gz MHIIZTZPLBFYIA-UHFFFAOYSA-N -1 3 372.182 3.332 20 0 FGADHM O=C(Nc1nc2ccccc2n1-c1ccccc1)c1ccc2[n-]c(=O)nc-2[nH]1 ZINC000555558042 505456720 /nfs/dbraw/zinc/45/67/20/505456720.db2.gz BEKCISQESBGEHF-UHFFFAOYSA-N -1 3 370.372 3.255 20 0 FGADHM COC[C@@]1(C(=O)[O-])CCCN([C@@H](C)c2ccccc2Br)C1 ZINC000564578033 505459421 /nfs/dbraw/zinc/45/94/21/505459421.db2.gz SVAYAHPPGMUXAY-BLLLJJGKSA-N -1 3 356.260 3.323 20 0 FGADHM [O-]c1cccnc1CN1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000561948794 505475077 /nfs/dbraw/zinc/47/50/77/505475077.db2.gz SYRVPZIFXGRXOS-AWEZNQCLSA-N -1 3 354.385 3.356 20 0 FGADHM CCn1cc([C@@H]2CN(Cc3ccc([O-])c4nc(C)ccc34)CCO2)cn1 ZINC000558736657 505478151 /nfs/dbraw/zinc/47/81/51/505478151.db2.gz SLHMKIUOCKKZQX-IBGZPJMESA-N -1 3 352.438 3.039 20 0 FGADHM Cc1ccc(-c2cc(-c3nc(-c4cn(Cc5ccccc5)nn4)no3)n[n-]2)o1 ZINC000567515426 505485434 /nfs/dbraw/zinc/48/54/34/505485434.db2.gz JWZRMZZARWSOOR-UHFFFAOYSA-N -1 3 373.376 3.335 20 0 FGADHM Cc1ccc(-c2cc(-c3nc(-c4cn(Cc5ccccc5)nn4)no3)[n-]n2)o1 ZINC000567515426 505485438 /nfs/dbraw/zinc/48/54/38/505485438.db2.gz JWZRMZZARWSOOR-UHFFFAOYSA-N -1 3 373.376 3.335 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@H]2CCN(c3ccccc3F)C2)c1-c1ccccc1 ZINC000567525307 505487830 /nfs/dbraw/zinc/48/78/30/505487830.db2.gz IOCOJYKDNXSPSX-INIZCTEOSA-N -1 3 364.424 3.411 20 0 FGADHM CCCc1nc(=NC(=O)N[C@H](C)[C@H](c2ccccc2C)N(C)C)s[n-]1 ZINC000562035750 505497401 /nfs/dbraw/zinc/49/74/01/505497401.db2.gz ONHWEPUYAMQPGB-CZUORRHYSA-N -1 3 361.515 3.034 20 0 FGADHM C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)N1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000567612314 505514028 /nfs/dbraw/zinc/51/40/28/505514028.db2.gz JBGZYLUSECUBRS-URTLRTLISA-N -1 3 372.509 3.116 20 0 FGADHM Cc1ccc2[n-]cc(C(=O)N3Cc4ccc(O)cc4C4(CC4)C3)c(=O)c2c1 ZINC000562280728 505560534 /nfs/dbraw/zinc/56/05/34/505560534.db2.gz PVBUSDIMRNASEL-UHFFFAOYSA-N -1 3 360.413 3.230 20 0 FGADHM CO[C@H]1CCC[C@H]1CNC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000552828430 505561316 /nfs/dbraw/zinc/56/13/16/505561316.db2.gz SVUHWTYTGHFPPV-YOEHRIQHSA-N -1 3 356.426 3.094 20 0 FGADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@@H]1CCC[C@@H](F)C1 ZINC000567774847 505561727 /nfs/dbraw/zinc/56/17/27/505561727.db2.gz VIJUNPPWTISORX-GHMZBOCLSA-N -1 3 371.455 3.247 20 0 FGADHM COC(=O)c1nc([N-]C(=O)c2snnc2C(C)(C)C)sc1C(C)C ZINC000567789263 505563368 /nfs/dbraw/zinc/56/33/68/505563368.db2.gz GEUJMVKCZPSZDQ-UHFFFAOYSA-N -1 3 368.484 3.454 20 0 FGADHM CC1=C(C)C[C@@H](c2nc(-c3ccc([C@]4(C)NC(=O)[N-]C4=O)cc3)no2)CC1 ZINC000564961012 505563434 /nfs/dbraw/zinc/56/34/34/505563434.db2.gz PSUWRLUTJWJCAV-XOBRGWDASA-N -1 3 366.421 3.395 20 0 FGADHM O=C([O-])[C@@H]1CN(Cc2cc3c(c(Cl)c2)OCO3)C[C@H]1c1ccccc1 ZINC000567856339 505568785 /nfs/dbraw/zinc/56/87/85/505568785.db2.gz HXFRAHMONGOAQO-LSDHHAIUSA-N -1 3 359.809 3.369 20 0 FGADHM CSCC[C@@H](C)N(C)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000603041757 506395639 /nfs/dbraw/zinc/39/56/39/506395639.db2.gz QUCLLHVZFMKBMW-MRVPVSSYSA-N -1 3 358.817 3.126 20 0 FGADHM COc1cccc2c(C(=O)Nc3csc(-c4ccccn4)n3)[n-]nc21 ZINC000582753133 506398170 /nfs/dbraw/zinc/39/81/70/506398170.db2.gz QVPUTFSYBIOREH-UHFFFAOYSA-N -1 3 351.391 3.342 20 0 FGADHM COc1cccc2c(C(=O)Nc3csc(-c4ccccn4)n3)n[n-]c21 ZINC000582753133 506398174 /nfs/dbraw/zinc/39/81/74/506398174.db2.gz QVPUTFSYBIOREH-UHFFFAOYSA-N -1 3 351.391 3.342 20 0 FGADHM O=C(c1ccc2[nH][n-]c(=O)c2c1)N1CC[C@@H](OCCCc2ccccc2)C1 ZINC000612051071 506411460 /nfs/dbraw/zinc/41/14/60/506411460.db2.gz RXLAACIGKISTAN-QGZVFWFLSA-N -1 3 365.433 3.132 20 0 FGADHM COc1ccc2nc(NC(=O)c3cn[n-]c3-c3ccncc3)sc2c1 ZINC000612133417 506454375 /nfs/dbraw/zinc/45/43/75/506454375.db2.gz QRTFNUCZPKDFOV-UHFFFAOYSA-N -1 3 351.391 3.342 20 0 FGADHM COc1ccc2nc(NC(=O)c3c[n-]nc3-c3ccncc3)sc2c1 ZINC000612133417 506454385 /nfs/dbraw/zinc/45/43/85/506454385.db2.gz QRTFNUCZPKDFOV-UHFFFAOYSA-N -1 3 351.391 3.342 20 0 FGADHM Cc1nc(S(=O)(=O)[N-][C@H](c2ccc(F)cc2)C2CCCC2)cn1C ZINC000589166774 506467670 /nfs/dbraw/zinc/46/76/70/506467670.db2.gz HTGDGFVERFDXHK-KRWDZBQOSA-N -1 3 351.447 3.077 20 0 FGADHM C[C@@H](NC(=O)[C@H](C)N1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1)c1ccccc1 ZINC000582904944 506481674 /nfs/dbraw/zinc/48/16/74/506481674.db2.gz VAGITJHPRAETRQ-GJJHYRHESA-N -1 3 366.461 3.053 20 0 FGADHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-][C@H](C)c1ccc(C)cc1 ZINC000589216304 506488145 /nfs/dbraw/zinc/48/81/45/506488145.db2.gz IIOSRXZDIGFGLE-LLVKDONJSA-N -1 3 351.424 3.031 20 0 FGADHM C[C@H]1CN(Cc2nc3ccsc3c(=O)[n-]2)CC[C@H]1C(=O)OC(C)(C)C ZINC000599589798 506518364 /nfs/dbraw/zinc/51/83/64/506518364.db2.gz NZARMSNZZBMGJB-NWDGAFQWSA-N -1 3 363.483 3.197 20 0 FGADHM O=C([O-])[C@H]1CSCCN1Cc1c(-c2ccccc2)nc2ccccn21 ZINC000582976486 506518708 /nfs/dbraw/zinc/51/87/08/506518708.db2.gz PPXKTLMINPAWON-MRXNPFEDSA-N -1 3 353.447 3.003 20 0 FGADHM CSCC[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccc(C)cc1[O-] ZINC000603503445 506534174 /nfs/dbraw/zinc/53/41/74/506534174.db2.gz BGHGCFRBVOGOMW-INIZCTEOSA-N -1 3 358.463 3.191 20 0 FGADHM COC(=O)[C@@H]1CCN(Cc2cc(=O)[n-]c(-c3ccccc3)n2)[C@H]2CCC[C@@H]21 ZINC000599645818 506549780 /nfs/dbraw/zinc/54/97/80/506549780.db2.gz FXNGHJLSJNGPTM-KURKYZTESA-N -1 3 367.449 3.013 20 0 FGADHM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(O[C@H]3CC(=O)N3)cc2)cc1 ZINC000583125003 506601829 /nfs/dbraw/zinc/60/18/29/506601829.db2.gz LMEZLFWBMRYCAR-DJJJIMSYSA-N -1 3 374.462 3.226 20 0 FGADHM COC(=O)C1(CNC(=O)c2cc([O-])cc(Br)c2)CCCCC1 ZINC000599755520 506619559 /nfs/dbraw/zinc/61/95/59/506619559.db2.gz HXGFKTNPPOPEKV-UHFFFAOYSA-N -1 3 370.243 3.008 20 0 FGADHM CCOc1cc(-c2ccccc2)sc1C(=O)NCCc1c(C)[n-][nH]c1=O ZINC000603808362 506621313 /nfs/dbraw/zinc/62/13/13/506621313.db2.gz WKPDUHVYESRCFG-CQSZACIVSA-N -1 3 371.462 3.056 20 0 FGADHM Cc1cccc(C2(NC(=O)Nc3ccc4c(c3)C(=O)[N-]C4=O)CCCC2)c1 ZINC000589654145 506622604 /nfs/dbraw/zinc/62/26/04/506622604.db2.gz VBWIJGVOJNAVFK-UHFFFAOYSA-N -1 3 363.417 3.470 20 0 FGADHM C[C@H](NC(=O)CNC(=O)c1ccc([O-])cc1)c1cccc(C(F)(F)F)c1 ZINC000589682031 506626558 /nfs/dbraw/zinc/62/65/58/506626558.db2.gz LZADMQPDBXASIV-NSHDSACASA-N -1 3 366.339 3.018 20 0 FGADHM CSc1nc(NC(=O)[C@@H]2C[C@@H]2c2ccc(Br)cc2)n[n-]1 ZINC000589691378 506630851 /nfs/dbraw/zinc/63/08/51/506630851.db2.gz GUFRUKZJIAHKBV-NXEZZACHSA-N -1 3 353.245 3.031 20 0 FGADHM CSc1nnc(NC(=O)[C@@H]2C[C@@H]2c2ccc(Br)cc2)[n-]1 ZINC000589691378 506630841 /nfs/dbraw/zinc/63/08/41/506630841.db2.gz GUFRUKZJIAHKBV-NXEZZACHSA-N -1 3 353.245 3.031 20 0 FGADHM CSc1n[n-]c(NC(=O)[C@@H]2C[C@@H]2c2ccc(Br)cc2)n1 ZINC000589691378 506630848 /nfs/dbraw/zinc/63/08/48/506630848.db2.gz GUFRUKZJIAHKBV-NXEZZACHSA-N -1 3 353.245 3.031 20 0 FGADHM COc1cccc(C(=O)N2CCC[C@H]2c2cccc3c2OCCO3)c1[O-] ZINC000589702766 506634525 /nfs/dbraw/zinc/63/45/25/506634525.db2.gz AWHRYCXUEHUUEM-HNNXBMFYSA-N -1 3 355.390 3.149 20 0 FGADHM CC(C)(C)OC(=O)C1(C(=O)NCc2ccc([O-])c(F)c2)CCCCC1 ZINC000593540032 506678016 /nfs/dbraw/zinc/67/80/16/506678016.db2.gz ZPNLAXBYBAWPJE-UHFFFAOYSA-N -1 3 351.418 3.440 20 0 FGADHM Cc1cc(C)c(NC(=O)NCCNC(=O)c2ccc([O-])cc2)c(Cl)c1 ZINC000612707504 506702515 /nfs/dbraw/zinc/70/25/15/506702515.db2.gz RGOLTSSYBVJKCJ-UHFFFAOYSA-N -1 3 361.829 3.214 20 0 FGADHM CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000590047361 506714007 /nfs/dbraw/zinc/71/40/07/506714007.db2.gz ASOKJFIINZXDPQ-KKUMJFAQSA-N -1 3 372.556 3.136 20 0 FGADHM O=C(CSC[C@H]1CCCCO1)N=c1cc(-c2cccc(Cl)c2)[n-][nH]1 ZINC000608987054 506760145 /nfs/dbraw/zinc/76/01/45/506760145.db2.gz XBSBKOHZVAGDEW-CQSZACIVSA-N -1 3 365.886 3.393 20 0 FGADHM COC(=O)c1csc(S(=O)(=O)[N-][C@@H](c2ccccc2)C2CCC2)c1 ZINC000609196173 506809846 /nfs/dbraw/zinc/80/98/46/506809846.db2.gz APDNBAPQDLVWLS-INIZCTEOSA-N -1 3 365.476 3.354 20 0 FGADHM COC(=O)c1csc(S(=O)(=O)[N-][C@H](c2ccccc2)C2CCC2)c1 ZINC000609196174 506810694 /nfs/dbraw/zinc/81/06/94/506810694.db2.gz APDNBAPQDLVWLS-MRXNPFEDSA-N -1 3 365.476 3.354 20 0 FGADHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CCC(Cc2cc(F)cc(F)c2)CC1 ZINC000583509257 506819289 /nfs/dbraw/zinc/81/92/89/506819289.db2.gz ICNBPJKUPDKAOP-UHFFFAOYSA-N -1 3 373.403 3.433 20 0 FGADHM COc1cc(F)c(S(=O)(=O)[N-]CC[C@H]2CCC[C@H](C)C2)cc1OC ZINC000604411596 506824456 /nfs/dbraw/zinc/82/44/56/506824456.db2.gz DOABMYLFMBNLHJ-QWHCGFSZSA-N -1 3 359.463 3.338 20 0 FGADHM COc1cccc2c1n[n-]c2C(=O)Nc1ccc(NC(=O)NC(C)C)cc1 ZINC000583591345 506865076 /nfs/dbraw/zinc/86/50/76/506865076.db2.gz LQKBLMNVIBZGLX-UHFFFAOYSA-N -1 3 367.409 3.354 20 0 FGADHM COc1cccc2c(C(=O)Nc3ccc(NC(=O)NC(C)C)cc3)n[n-]c21 ZINC000583591345 506865079 /nfs/dbraw/zinc/86/50/79/506865079.db2.gz LQKBLMNVIBZGLX-UHFFFAOYSA-N -1 3 367.409 3.354 20 0 FGADHM CCOc1nc2cc(C(=O)N[C@H](CC(=O)OC)c3cccs3)ccc2[n-]1 ZINC000590648010 506894951 /nfs/dbraw/zinc/89/49/51/506894951.db2.gz QGEIHLUEPQIBNW-CQSZACIVSA-N -1 3 373.434 3.057 20 0 FGADHM CCOc1nc2ccc(C(=O)N[C@H](CC(=O)OC)c3cccs3)cc2[n-]1 ZINC000590648010 506894956 /nfs/dbraw/zinc/89/49/56/506894956.db2.gz QGEIHLUEPQIBNW-CQSZACIVSA-N -1 3 373.434 3.057 20 0 FGADHM CCc1cc(C(=O)Nc2ccc(O[C@@H](C)C(=O)OC)c(F)c2)ccc1[O-] ZINC000600326214 506901563 /nfs/dbraw/zinc/90/15/63/506901563.db2.gz JNAXYWUMILJPDZ-NSHDSACASA-N -1 3 361.369 3.286 20 0 FGADHM C[C@H](CC(C)(C)C)c1nc(-c2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)no1 ZINC000583685931 506917092 /nfs/dbraw/zinc/91/70/92/506917092.db2.gz FLRJJKDOMKMYJJ-NSPYISDASA-N -1 3 356.426 3.331 20 0 FGADHM C[C@H]1CN(C(=O)c2cc([O-])ccc2Cl)CC[C@H]1C(=O)OC(C)(C)C ZINC000600351700 506917125 /nfs/dbraw/zinc/91/71/25/506917125.db2.gz CISSGWIXRJZHKE-WCQYABFASA-N -1 3 353.846 3.486 20 0 FGADHM O=C(NCCCNCc1cccnc1)c1c([O-])cc(Cl)cc1Cl ZINC000583692518 506920099 /nfs/dbraw/zinc/92/00/99/506920099.db2.gz JJPNVPHNHNGHIB-UHFFFAOYSA-N -1 3 354.237 3.004 20 0 FGADHM CC[C@@H]([N-]S(=O)(=O)C1CCC(C(F)(F)F)CC1)C(=O)OC(C)(C)C ZINC000590750309 506936122 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CCCc1ccc(-c2cc(=NC(=O)[C@H]3CC(=O)N[C@H](CC)C3)[nH][n-]2)cc1 ZINC000541774821 517210026 /nfs/dbraw/zinc/21/00/26/517210026.db2.gz LSIHPQQFXUOWLG-HZPDHXFCSA-N -1 3 354.454 3.273 20 0 FGADHM Cc1cc(NC(=O)Cc2c(C)nc(C)[n-]c2=O)nn1-c1ccccc1Cl ZINC000537518419 517216392 /nfs/dbraw/zinc/21/63/92/517216392.db2.gz JSZSUKVCQSZYEX-UHFFFAOYSA-N -1 3 371.828 3.128 20 0 FGADHM CCN(CC)CCNC(=O)N=c1[n-]nc(C(C)(C)c2ccccc2)s1 ZINC000520241331 517315597 /nfs/dbraw/zinc/31/55/97/517315597.db2.gz NOTVSBYXWHFWMS-UHFFFAOYSA-N -1 3 361.515 3.327 20 0 FGADHM CCc1ncc(C(=O)N=c2[nH][n-]c(C)c2-c2ccc3c(c2)OCCO3)s1 ZINC000533398760 517445992 /nfs/dbraw/zinc/44/59/92/517445992.db2.gz HRFPHCDAASXFLC-UHFFFAOYSA-N -1 3 370.434 3.428 20 0 FGADHM COc1nc(NC[C@@H]2CCCN(C)[C@H]2c2cccs2)ccc1C(=O)[O-] ZINC000521050439 517593165 /nfs/dbraw/zinc/59/31/65/517593165.db2.gz OPPZAIUBPRYVHK-BLLLJJGKSA-N -1 3 361.467 3.345 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@H]2CCCc3nn(C)cc32)c1-c1ccc(F)cc1 ZINC000530276334 517673980 /nfs/dbraw/zinc/67/39/80/517673980.db2.gz HETYQVYORRKJOI-AWEZNQCLSA-N -1 3 353.401 3.316 20 0 FGADHM C[C@@H](Oc1ccc(F)cc1Cl)C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000527499921 517712004 /nfs/dbraw/zinc/71/20/04/517712004.db2.gz IQACBZGLAXUDHK-OTYXRUKQSA-N -1 3 353.781 3.460 20 0 FGADHM CC(C)c1cc(NCC[N-]S(=O)(=O)c2cccs2)nc(C(C)C)n1 ZINC000534142500 517761424 /nfs/dbraw/zinc/76/14/24/517761424.db2.gz JYOWEBANDJDPAC-UHFFFAOYSA-N -1 3 368.528 3.175 20 0 FGADHM COc1ccccc1-c1cc(=NC(=O)[C@H]2Cc3cc(F)ccc3O2)[nH][n-]1 ZINC000608358024 519945647 /nfs/dbraw/zinc/94/56/47/519945647.db2.gz LDPSYHRESQKTIU-QGZVFWFLSA-N -1 3 353.353 3.167 20 0 FGADHM CC(C)CC(=O)N[C@H](C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1ccccc1 ZINC000616826329 520164991 /nfs/dbraw/zinc/16/49/91/520164991.db2.gz LHIDGZULACNTDB-LPHOPBHVSA-N -1 3 370.453 3.103 20 0 FGADHM CC(C)(C)OC(=O)c1ccccc1CC(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000601664128 520894073 /nfs/dbraw/zinc/89/40/73/520894073.db2.gz IMXBZFXENPPDMD-MRXNPFEDSA-N -1 3 371.437 3.398 20 0 FGADHM C[C@H](CC1CCCC1)C(=O)N=c1[n-]n(C)cc1I ZINC000602381909 521309577 /nfs/dbraw/zinc/30/95/77/521309577.db2.gz NNDJPJDEJYWQAD-SECBINFHSA-N -1 3 361.227 3.180 20 0 FGADHM CCN=c1[n-]c(C(=O)N2CCC[C@@]3(CC(=O)c4ccccc4O3)C2)cs1 ZINC000628737646 521759091 /nfs/dbraw/zinc/75/90/91/521759091.db2.gz QWXNXXMBMTUMHB-LJQANCHMSA-N -1 3 371.462 3.215 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)c2cc(CN3CCCC3)on2)c1-c1ccccc1F ZINC000630024957 522589264 /nfs/dbraw/zinc/58/92/64/522589264.db2.gz UQHQIJXVRYKMCA-UHFFFAOYSA-N -1 3 369.400 3.360 20 0 FGADHM CC(C)(CO)CCCNC(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482077658 561248082 /nfs/dbraw/zinc/24/80/82/561248082.db2.gz PCOFVGWHRHDFSE-UHFFFAOYSA-N -1 3 369.263 3.017 20 0 FGADHM C[C@H]1C[C@@H](CNC(=O)N=c2cc3ccc(Br)cn3[n-]2)CCO1 ZINC000482181646 561249834 /nfs/dbraw/zinc/24/98/34/561249834.db2.gz FPXOGVFXVDNNNM-QWRGUYRKSA-N -1 3 367.247 3.033 20 0 FGADHM C[C@@H](CN(C)C)NC(=O)N=c1[n-]nc(-c2ccc(Cl)cc2F)s1 ZINC000483847370 561284923 /nfs/dbraw/zinc/28/49/23/561284923.db2.gz OHOYJDRVCUIFBC-QMMMGPOBSA-N -1 3 357.842 3.069 20 0 FGADHM COc1ccc(CC(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)cc1OC(F)F ZINC000529522133 562376435 /nfs/dbraw/zinc/37/64/35/562376435.db2.gz SJAXFYKNQJDCNR-LBPRGKRZSA-N -1 3 367.352 3.052 20 0 FGADHM O=C(CCCC1CC1)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000643228434 568032796 /nfs/dbraw/zinc/03/27/96/568032796.db2.gz CNMDAEAZTBIKMW-UHFFFAOYSA-N -1 3 364.389 3.046 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)N1CCC(Oc2ccccc2F)CC1 ZINC000636823144 568117222 /nfs/dbraw/zinc/11/72/22/568117222.db2.gz NTZIIEIIWMEGPC-UHFFFAOYSA-N -1 3 362.376 3.423 20 0 FGADHM C[C@@H]1CN(C(=O)c2ccc3[nH][n-]c(=O)c3c2)C[C@@H](c2ccc(F)cc2)O1 ZINC000669182055 568308888 /nfs/dbraw/zinc/30/88/88/568308888.db2.gz DUKHJGDEGIXHPA-DIFFPNOSSA-N -1 3 355.369 3.010 20 0 FGADHM Cc1ccc(C[C@H]2CCCN2C(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000737335729 598825046 /nfs/dbraw/zinc/82/50/46/598825046.db2.gz VYLVMNSTKLATEP-SYGIOELKSA-N -1 3 373.460 3.422 20 0 FGADHM Cc1ccc(C[C@H]2CCCN2C(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000737335729 598825049 /nfs/dbraw/zinc/82/50/49/598825049.db2.gz VYLVMNSTKLATEP-SYGIOELKSA-N -1 3 373.460 3.422 20 0 FGADHM Cc1cccc([C@H](C)C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)c1 ZINC000737386705 598832025 /nfs/dbraw/zinc/83/20/25/598832025.db2.gz ZJCWOLGGINUOMJ-ZDUSSCGKSA-N -1 3 352.442 3.474 20 0 FGADHM Cc1cccc([C@H](C)C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)c1 ZINC000737386705 598832026 /nfs/dbraw/zinc/83/20/26/598832026.db2.gz ZJCWOLGGINUOMJ-ZDUSSCGKSA-N -1 3 352.442 3.474 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000736637916 598851047 /nfs/dbraw/zinc/85/10/47/598851047.db2.gz UWSBKTLFRLLWES-MBNYWOFBSA-N -1 3 358.446 3.212 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000736637916 598851048 /nfs/dbraw/zinc/85/10/48/598851048.db2.gz UWSBKTLFRLLWES-MBNYWOFBSA-N -1 3 358.446 3.212 20 0 FGADHM Cc1nnc(Nc2cccc(N3CCC(C)CC3)c2)c(-c2nnn[n-]2)c1C ZINC000737533626 598856069 /nfs/dbraw/zinc/85/60/69/598856069.db2.gz ONPFBPIDEWFSDN-UHFFFAOYSA-N -1 3 364.457 3.253 20 0 FGADHM Cc1nnc(Nc2cccc(N3CCC(C)CC3)c2)c(-c2nn[n-]n2)c1C ZINC000737533626 598856070 /nfs/dbraw/zinc/85/60/70/598856070.db2.gz ONPFBPIDEWFSDN-UHFFFAOYSA-N -1 3 364.457 3.253 20 0 FGADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cc(C(C)C)no1 ZINC000735832292 598862280 /nfs/dbraw/zinc/86/22/80/598862280.db2.gz ZBDNZOJFZXAVKZ-UHFFFAOYSA-N -1 3 368.441 3.277 20 0 FGADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cc(C(C)C)no1 ZINC000735832292 598862283 /nfs/dbraw/zinc/86/22/83/598862283.db2.gz ZBDNZOJFZXAVKZ-UHFFFAOYSA-N -1 3 368.441 3.277 20 0 FGADHM CCc1ccsc1C(=O)O[C@H](C)COc1cccc(-c2nnn[n-]2)c1 ZINC000736701854 598883750 /nfs/dbraw/zinc/88/37/50/598883750.db2.gz JIMWDTGYXGURDM-LLVKDONJSA-N -1 3 358.423 3.115 20 0 FGADHM CCc1ccsc1C(=O)O[C@H](C)COc1cccc(-c2nn[n-]n2)c1 ZINC000736701854 598883751 /nfs/dbraw/zinc/88/37/51/598883751.db2.gz JIMWDTGYXGURDM-LLVKDONJSA-N -1 3 358.423 3.115 20 0 FGADHM COC(=O)[C@H](N[C@@H](C)c1cc(C)cc(C)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736895478 598884426 /nfs/dbraw/zinc/88/44/26/598884426.db2.gz JYLGPQXSNNHGSP-KBXCAEBGSA-N -1 3 365.437 3.048 20 0 FGADHM COC(=O)[C@H](N[C@@H](C)c1cc(C)cc(C)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736895478 598884428 /nfs/dbraw/zinc/88/44/28/598884428.db2.gz JYLGPQXSNNHGSP-KBXCAEBGSA-N -1 3 365.437 3.048 20 0 FGADHM COC(=O)[C@H](N[C@@H](C)CCC1CCCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736892603 598885924 /nfs/dbraw/zinc/88/59/24/598885924.db2.gz ATVHAAGXFDLQFW-KBXCAEBGSA-N -1 3 371.485 3.419 20 0 FGADHM COC(=O)[C@H](N[C@@H](C)CCC1CCCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736892603 598885925 /nfs/dbraw/zinc/88/59/25/598885925.db2.gz ATVHAAGXFDLQFW-KBXCAEBGSA-N -1 3 371.485 3.419 20 0 FGADHM C[C@@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)C=Cc1ccccc1F ZINC000736037843 598887717 /nfs/dbraw/zinc/88/77/17/598887717.db2.gz OZBXXUIDDVIFAJ-XPSMFNQNSA-N -1 3 368.368 3.030 20 0 FGADHM C[C@@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)C=Cc1ccccc1F ZINC000736037843 598887719 /nfs/dbraw/zinc/88/77/19/598887719.db2.gz OZBXXUIDDVIFAJ-XPSMFNQNSA-N -1 3 368.368 3.030 20 0 FGADHM Cc1cc(C(F)(F)F)c(-c2nnn[n-]2)c(SCC2CCOCC2)n1 ZINC000737244328 598892563 /nfs/dbraw/zinc/89/25/63/598892563.db2.gz FKQGOVALWHXDIE-UHFFFAOYSA-N -1 3 359.377 3.108 20 0 FGADHM O=C(Nc1ccnc(Oc2ccccc2)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000738197981 598892663 /nfs/dbraw/zinc/89/26/63/598892663.db2.gz UFHXRUVWRNFPNP-UHFFFAOYSA-N -1 3 358.361 3.306 20 0 FGADHM O=C(Nc1ccnc(Oc2ccccc2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000738197981 598892665 /nfs/dbraw/zinc/89/26/65/598892665.db2.gz UFHXRUVWRNFPNP-UHFFFAOYSA-N -1 3 358.361 3.306 20 0 FGADHM CC(C)[C@@H](Cc1ccccc1)C(=O)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000735712323 598901565 /nfs/dbraw/zinc/90/15/65/598901565.db2.gz SZJHSWMYPASIGZ-GOSISDBHSA-N -1 3 350.422 3.425 20 0 FGADHM CC(C)[C@@H](Cc1ccccc1)C(=O)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000735712323 598901566 /nfs/dbraw/zinc/90/15/66/598901566.db2.gz SZJHSWMYPASIGZ-GOSISDBHSA-N -1 3 350.422 3.425 20 0 FGADHM O=C(Cc1c[nH]c2ccc(Cl)cc12)OCc1ccccc1-c1nnn[n-]1 ZINC000737954140 598902906 /nfs/dbraw/zinc/90/29/06/598902906.db2.gz HNEIWCFNTOCFJF-UHFFFAOYSA-N -1 3 367.796 3.287 20 0 FGADHM O=C(Cc1c[nH]c2ccc(Cl)cc12)OCc1ccccc1-c1nn[n-]n1 ZINC000737954140 598902908 /nfs/dbraw/zinc/90/29/08/598902908.db2.gz HNEIWCFNTOCFJF-UHFFFAOYSA-N -1 3 367.796 3.287 20 0 FGADHM C[C@H](CC1CCCC1)C(=O)NCCSCc1ccccc1-c1nnn[n-]1 ZINC000735986382 598902915 /nfs/dbraw/zinc/90/29/15/598902915.db2.gz RQHNHEZTVBUZQF-CQSZACIVSA-N -1 3 373.526 3.433 20 0 FGADHM C[C@H](CC1CCCC1)C(=O)NCCSCc1ccccc1-c1nn[n-]n1 ZINC000735986382 598902917 /nfs/dbraw/zinc/90/29/17/598902917.db2.gz RQHNHEZTVBUZQF-CQSZACIVSA-N -1 3 373.526 3.433 20 0 FGADHM CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000525375647 598910458 /nfs/dbraw/zinc/91/04/58/598910458.db2.gz YWZGTQPEWIRLSB-OALUTQOASA-N -1 3 361.449 3.410 20 0 FGADHM CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000525375647 598910459 /nfs/dbraw/zinc/91/04/59/598910459.db2.gz YWZGTQPEWIRLSB-OALUTQOASA-N -1 3 361.449 3.410 20 0 FGADHM Cn1ccc2ccc(NC(=O)CSc3ccc(-c4nnn[n-]4)cc3)cc21 ZINC000737614032 598924782 /nfs/dbraw/zinc/92/47/82/598924782.db2.gz RUDQFXHZLDRHKU-UHFFFAOYSA-N -1 3 364.434 3.089 20 0 FGADHM Cn1ccc2ccc(NC(=O)CSc3ccc(-c4nn[n-]n4)cc3)cc21 ZINC000737614032 598924784 /nfs/dbraw/zinc/92/47/84/598924784.db2.gz RUDQFXHZLDRHKU-UHFFFAOYSA-N -1 3 364.434 3.089 20 0 FGADHM CC(C)[C@@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)Nc1ccccc1 ZINC000735709079 598936968 /nfs/dbraw/zinc/93/69/68/598936968.db2.gz OMJQZWHWVJLJEE-OAHLLOKOSA-N -1 3 357.849 3.464 20 0 FGADHM CC(C)[C@@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)Nc1ccccc1 ZINC000735709079 598936970 /nfs/dbraw/zinc/93/69/70/598936970.db2.gz OMJQZWHWVJLJEE-OAHLLOKOSA-N -1 3 357.849 3.464 20 0 FGADHM Cc1ccc(OC(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC000737365117 598942726 /nfs/dbraw/zinc/94/27/26/598942726.db2.gz PTRJKGQAPJJTCL-NSHDSACASA-N -1 3 358.785 3.201 20 0 FGADHM Cc1ccc(C(C)C)cc1OS(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000737318296 598949584 /nfs/dbraw/zinc/94/95/84/598949584.db2.gz VAAIMZLQWKPHPV-UHFFFAOYSA-N -1 3 372.450 3.375 20 0 FGADHM Cc1ccc(C(C)C)cc1OS(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000737318296 598949585 /nfs/dbraw/zinc/94/95/85/598949585.db2.gz VAAIMZLQWKPHPV-UHFFFAOYSA-N -1 3 372.450 3.375 20 0 FGADHM c1cc(-c2nnn[n-]2)ccc1CNc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000738413593 598963200 /nfs/dbraw/zinc/96/32/00/598963200.db2.gz XWOKSZNNNRLWTJ-SFHVURJKSA-N -1 3 351.410 3.037 20 0 FGADHM c1cc(-c2nn[n-]n2)ccc1CNc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000738413593 598963201 /nfs/dbraw/zinc/96/32/01/598963201.db2.gz XWOKSZNNNRLWTJ-SFHVURJKSA-N -1 3 351.410 3.037 20 0 FGADHM Cc1ccccc1C[C@H]1CCCN1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000737427524 598963565 /nfs/dbraw/zinc/96/35/65/598963565.db2.gz RRPUPOVDILJIMC-GOSISDBHSA-N -1 3 362.437 3.414 20 0 FGADHM Cc1ccccc1C[C@H]1CCCN1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000737427524 598963566 /nfs/dbraw/zinc/96/35/66/598963566.db2.gz RRPUPOVDILJIMC-GOSISDBHSA-N -1 3 362.437 3.414 20 0 FGADHM Cc1ccc(O[C@H](C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000737365508 598980044 /nfs/dbraw/zinc/98/00/44/598980044.db2.gz RXZZELXCFWGRMJ-LLVKDONJSA-N -1 3 357.801 3.235 20 0 FGADHM Cc1ccc(O[C@H](C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000737365508 598980045 /nfs/dbraw/zinc/98/00/45/598980045.db2.gz RXZZELXCFWGRMJ-LLVKDONJSA-N -1 3 357.801 3.235 20 0 FGADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1)c1cccc(OCC(F)(F)F)c1 ZINC000823451667 607256146 /nfs/dbraw/zinc/25/61/46/607256146.db2.gz XSPWOXRHPZVBEE-UHFFFAOYSA-N -1 3 364.283 3.027 20 0 FGADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1)c1cccc(OCC(F)(F)F)c1 ZINC000823451667 607256147 /nfs/dbraw/zinc/25/61/47/607256147.db2.gz XSPWOXRHPZVBEE-UHFFFAOYSA-N -1 3 364.283 3.027 20 0 FGADHM CC[C@@H](C)c1ccccc1OS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000736326344 598994543 /nfs/dbraw/zinc/99/45/43/598994543.db2.gz IMQYQMUFFVGGDV-GFCCVEGCSA-N -1 3 372.450 3.456 20 0 FGADHM CC[C@@H](C)c1ccccc1OS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000736326344 598994545 /nfs/dbraw/zinc/99/45/45/598994545.db2.gz IMQYQMUFFVGGDV-GFCCVEGCSA-N -1 3 372.450 3.456 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)Oc1ccccc1C(C)C ZINC000737225596 598995108 /nfs/dbraw/zinc/99/51/08/598995108.db2.gz FDFUVARPIYAZFT-UHFFFAOYSA-N -1 3 358.423 3.066 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)Oc1ccccc1C(C)C ZINC000737225596 598995110 /nfs/dbraw/zinc/99/51/10/598995110.db2.gz FDFUVARPIYAZFT-UHFFFAOYSA-N -1 3 358.423 3.066 20 0 FGADHM C[C@H](CCC1CCCCC1)NC(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000735985974 599007984 /nfs/dbraw/zinc/00/79/84/599007984.db2.gz OMRHDSHWBHXPFL-CQSZACIVSA-N -1 3 357.458 3.111 20 0 FGADHM C[C@H](CCC1CCCCC1)NC(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000735985974 599007986 /nfs/dbraw/zinc/00/79/86/599007986.db2.gz OMRHDSHWBHXPFL-CQSZACIVSA-N -1 3 357.458 3.111 20 0 FGADHM CCCCC[C@H](NC(=O)COc1ccccc1-c1nnn[n-]1)C(C)(C)C ZINC000736441013 599008617 /nfs/dbraw/zinc/00/86/17/599008617.db2.gz LRQKIGHSVVGQOM-INIZCTEOSA-N -1 3 359.474 3.357 20 0 FGADHM CCCCC[C@H](NC(=O)COc1ccccc1-c1nn[n-]n1)C(C)(C)C ZINC000736441013 599008618 /nfs/dbraw/zinc/00/86/18/599008618.db2.gz LRQKIGHSVVGQOM-INIZCTEOSA-N -1 3 359.474 3.357 20 0 FGADHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)OCCCc1ccc(Cl)cc1 ZINC000737899521 599015486 /nfs/dbraw/zinc/01/54/86/599015486.db2.gz REYHURJBKNWJQX-UHFFFAOYSA-N -1 3 371.828 3.108 20 0 FGADHM C[C@@H](S[C@@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1 ZINC000736189788 599012462 /nfs/dbraw/zinc/01/24/62/599012462.db2.gz QYZDECCAYPOPER-MEBBXXQBSA-N -1 3 357.414 3.027 20 0 FGADHM C[C@@H](S[C@@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1 ZINC000736189788 599012464 /nfs/dbraw/zinc/01/24/64/599012464.db2.gz QYZDECCAYPOPER-MEBBXXQBSA-N -1 3 357.414 3.027 20 0 FGADHM CCO[C@@H]1C[C@H](N(C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)C12CCCC2 ZINC000736619063 599012798 /nfs/dbraw/zinc/01/27/98/599012798.db2.gz XDVKTNPFVNFRRD-JKSUJKDBSA-N -1 3 370.457 3.068 20 0 FGADHM CCO[C@@H]1C[C@H](N(C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)C12CCCC2 ZINC000736619063 599012800 /nfs/dbraw/zinc/01/28/00/599012800.db2.gz XDVKTNPFVNFRRD-JKSUJKDBSA-N -1 3 370.457 3.068 20 0 FGADHM C[C@H]1CCC[C@H](CCNC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736253266 599016808 /nfs/dbraw/zinc/01/68/08/599016808.db2.gz UFPBBVIZXDCDLV-LSDHHAIUSA-N -1 3 373.526 3.433 20 0 FGADHM C[C@H]1CCC[C@H](CCNC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736253266 599016810 /nfs/dbraw/zinc/01/68/10/599016810.db2.gz UFPBBVIZXDCDLV-LSDHHAIUSA-N -1 3 373.526 3.433 20 0 FGADHM C[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2Cl)C[C@@H](c2ccc(F)cc2)O1 ZINC000820776980 599040047 /nfs/dbraw/zinc/04/00/47/599040047.db2.gz ONDAUYXBQBRRBN-BMIGLBTASA-N -1 3 374.807 3.021 20 0 FGADHM C[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2Cl)C[C@@H](c2ccc(F)cc2)O1 ZINC000820776980 599040050 /nfs/dbraw/zinc/04/00/50/599040050.db2.gz ONDAUYXBQBRRBN-BMIGLBTASA-N -1 3 374.807 3.021 20 0 FGADHM C[C@H]1CCCC[C@H]1OCCNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000736267556 599043810 /nfs/dbraw/zinc/04/38/10/599043810.db2.gz BPGXYCUFSULDGJ-CMPLNLGQSA-N -1 3 370.379 3.288 20 0 FGADHM C[C@H]1CCCC[C@H]1OCCNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000736267556 599043813 /nfs/dbraw/zinc/04/38/13/599043813.db2.gz BPGXYCUFSULDGJ-CMPLNLGQSA-N -1 3 370.379 3.288 20 0 FGADHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1N1CCCC2(CCOCC2)C1 ZINC000822718249 599044590 /nfs/dbraw/zinc/04/45/90/599044590.db2.gz DXUFEKCVVGVTGY-UHFFFAOYSA-N -1 3 367.375 3.283 20 0 FGADHM Cc1cc(C(F)(F)F)c(Sc2ccc(-c3nnn[n-]3)cc2F)nn1 ZINC000822191827 599057421 /nfs/dbraw/zinc/05/74/21/599057421.db2.gz RUMHQRQGSOLHIU-UHFFFAOYSA-N -1 3 356.308 3.274 20 0 FGADHM Cc1cc(C(F)(F)F)c(Sc2ccc(-c3nn[n-]n3)cc2F)nn1 ZINC000822191827 599057423 /nfs/dbraw/zinc/05/74/23/599057423.db2.gz RUMHQRQGSOLHIU-UHFFFAOYSA-N -1 3 356.308 3.274 20 0 FGADHM Fc1cc(-c2nnn[n-]2)cc(F)c1N[C@@H]1CCCN(c2ccccc2)C1 ZINC000737639667 599059703 /nfs/dbraw/zinc/05/97/03/599059703.db2.gz RAYHKALMHWZHJM-CYBMUJFWSA-N -1 3 356.380 3.226 20 0 FGADHM Fc1cc(-c2nn[n-]n2)cc(F)c1N[C@@H]1CCCN(c2ccccc2)C1 ZINC000737639667 599059706 /nfs/dbraw/zinc/05/97/06/599059706.db2.gz RAYHKALMHWZHJM-CYBMUJFWSA-N -1 3 356.380 3.226 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)NC[C@@H](C)c1cccc(C)c1 ZINC000737062765 599059029 /nfs/dbraw/zinc/05/90/29/599059029.db2.gz MUKWHRFJUVXMFK-CYBMUJFWSA-N -1 3 366.425 3.109 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)NC[C@@H](C)c1cccc(C)c1 ZINC000737062765 599059032 /nfs/dbraw/zinc/05/90/32/599059032.db2.gz MUKWHRFJUVXMFK-CYBMUJFWSA-N -1 3 366.425 3.109 20 0 FGADHM C[C@@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(=O)N1CCc2ccccc21 ZINC000736189359 599062128 /nfs/dbraw/zinc/06/21/28/599062128.db2.gz BUSFIFAKHCDHIW-LLVKDONJSA-N -1 3 369.425 3.076 20 0 FGADHM C[C@@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(=O)N1CCc2ccccc21 ZINC000736189359 599062131 /nfs/dbraw/zinc/06/21/31/599062131.db2.gz BUSFIFAKHCDHIW-LLVKDONJSA-N -1 3 369.425 3.076 20 0 FGADHM COc1cc(CNc2ccc(F)cc2-c2nnn[n-]2)c2ccccc2n1 ZINC000821717209 599062608 /nfs/dbraw/zinc/06/26/08/599062608.db2.gz LGYGDFKUHOYOHV-UHFFFAOYSA-N -1 3 350.357 3.175 20 0 FGADHM COc1cc(CNc2ccc(F)cc2-c2nn[n-]n2)c2ccccc2n1 ZINC000821717209 599062611 /nfs/dbraw/zinc/06/26/11/599062611.db2.gz LGYGDFKUHOYOHV-UHFFFAOYSA-N -1 3 350.357 3.175 20 0 FGADHM Fc1cc(-c2nnn[n-]2)cc(F)c1N1CC[C@@H](COCc2ccccc2)C1 ZINC000822736554 599063561 /nfs/dbraw/zinc/06/35/61/599063561.db2.gz GLULSDOICYFGGA-CQSZACIVSA-N -1 3 371.391 3.188 20 0 FGADHM Fc1cc(-c2nn[n-]n2)cc(F)c1N1CC[C@@H](COCc2ccccc2)C1 ZINC000822736554 599063565 /nfs/dbraw/zinc/06/35/65/599063565.db2.gz GLULSDOICYFGGA-CQSZACIVSA-N -1 3 371.391 3.188 20 0 FGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)c1c(F)cccc1F ZINC000735905864 599070957 /nfs/dbraw/zinc/07/09/57/599070957.db2.gz NFEUTUHFLZMSNE-UHFFFAOYSA-N -1 3 359.336 3.184 20 0 FGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)c1c(F)cccc1F ZINC000735905864 599070960 /nfs/dbraw/zinc/07/09/60/599070960.db2.gz NFEUTUHFLZMSNE-UHFFFAOYSA-N -1 3 359.336 3.184 20 0 FGADHM CCc1cc2c(ncnc2NCc2cc(-c3nnn[n-]3)ccc2F)s1 ZINC000821476913 599071912 /nfs/dbraw/zinc/07/19/12/599071912.db2.gz USAUPMXFEOPBOJ-UHFFFAOYSA-N -1 3 355.402 3.185 20 0 FGADHM CCc1cc2c(ncnc2NCc2cc(-c3nn[n-]n3)ccc2F)s1 ZINC000821476913 599071913 /nfs/dbraw/zinc/07/19/13/599071913.db2.gz USAUPMXFEOPBOJ-UHFFFAOYSA-N -1 3 355.402 3.185 20 0 FGADHM CN(C(=O)[C@H]1C[C@H]1c1cccc(F)c1F)c1ccc(-c2nnn[n-]2)cc1F ZINC000736733122 599073607 /nfs/dbraw/zinc/07/36/07/599073607.db2.gz QVQMGWOLCCBRIA-RYUDHWBXSA-N -1 3 373.338 3.051 20 0 FGADHM CN(C(=O)[C@H]1C[C@H]1c1cccc(F)c1F)c1ccc(-c2nn[n-]n2)cc1F ZINC000736733122 599073610 /nfs/dbraw/zinc/07/36/10/599073610.db2.gz QVQMGWOLCCBRIA-RYUDHWBXSA-N -1 3 373.338 3.051 20 0 FGADHM COc1ccccc1O[C@H](C)CNc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000821904760 599077874 /nfs/dbraw/zinc/07/78/74/599077874.db2.gz ZLTJIFJMVUIURC-LLVKDONJSA-N -1 3 359.817 3.408 20 0 FGADHM COc1ccccc1O[C@H](C)CNc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000821904760 599077877 /nfs/dbraw/zinc/07/78/77/599077877.db2.gz ZLTJIFJMVUIURC-LLVKDONJSA-N -1 3 359.817 3.408 20 0 FGADHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2N1CCS[C@@H](C(C)C)C1 ZINC000822204339 599099408 /nfs/dbraw/zinc/09/94/08/599099408.db2.gz MGADDCRMGAZFGE-OAHLLOKOSA-N -1 3 372.473 3.440 20 0 FGADHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2N1CCS[C@@H](C(C)C)C1 ZINC000822204339 599099410 /nfs/dbraw/zinc/09/94/10/599099410.db2.gz MGADDCRMGAZFGE-OAHLLOKOSA-N -1 3 372.473 3.440 20 0 FGADHM Cc1cccc([C@H]2CCCN2C(=O)Cc2ccc(-c3nnn[n-]3)cc2)c1C ZINC000737391156 599103671 /nfs/dbraw/zinc/10/36/71/599103671.db2.gz ZHIPIUISNPDLCP-LJQANCHMSA-N -1 3 361.449 3.390 20 0 FGADHM Cc1cccc([C@H]2CCCN2C(=O)Cc2ccc(-c3nn[n-]n3)cc2)c1C ZINC000737391156 599103673 /nfs/dbraw/zinc/10/36/73/599103673.db2.gz ZHIPIUISNPDLCP-LJQANCHMSA-N -1 3 361.449 3.390 20 0 FGADHM C[C@H]1CCC[C@H](CCNC(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736253694 599105712 /nfs/dbraw/zinc/10/57/12/599105712.db2.gz VSKPZHQTTHNBTF-LSDHHAIUSA-N -1 3 356.474 3.225 20 0 FGADHM C[C@H]1CCC[C@H](CCNC(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736253694 599105714 /nfs/dbraw/zinc/10/57/14/599105714.db2.gz VSKPZHQTTHNBTF-LSDHHAIUSA-N -1 3 356.474 3.225 20 0 FGADHM C[C@@H]1CCC[C@@H](CCNC(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736253690 599105948 /nfs/dbraw/zinc/10/59/48/599105948.db2.gz VSKPZHQTTHNBTF-CABCVRRESA-N -1 3 356.474 3.225 20 0 FGADHM C[C@@H]1CCC[C@@H](CCNC(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736253690 599105951 /nfs/dbraw/zinc/10/59/51/599105951.db2.gz VSKPZHQTTHNBTF-CABCVRRESA-N -1 3 356.474 3.225 20 0 FGADHM Cc1ccc([C@H]2OCCC[C@@H]2CNc2ncccc2-c2nnn[n-]2)cc1 ZINC000822233428 599108396 /nfs/dbraw/zinc/10/83/96/599108396.db2.gz ORMVLKKOAKMLEQ-NVXWUHKLSA-N -1 3 350.426 3.150 20 0 FGADHM Cc1ccc([C@H]2OCCC[C@@H]2CNc2ncccc2-c2nn[n-]n2)cc1 ZINC000822233428 599108400 /nfs/dbraw/zinc/10/84/00/599108400.db2.gz ORMVLKKOAKMLEQ-NVXWUHKLSA-N -1 3 350.426 3.150 20 0 FGADHM C[C@@H](Sc1ccccc1-c1nnn[n-]1)C(=O)N[C@@H](C)c1ccccc1 ZINC000736194249 599110808 /nfs/dbraw/zinc/11/08/08/599110808.db2.gz YOCTZFQYYRFSEN-QWHCGFSZSA-N -1 3 353.451 3.225 20 0 FGADHM C[C@@H](Sc1ccccc1-c1nn[n-]n1)C(=O)N[C@@H](C)c1ccccc1 ZINC000736194249 599110811 /nfs/dbraw/zinc/11/08/11/599110811.db2.gz YOCTZFQYYRFSEN-QWHCGFSZSA-N -1 3 353.451 3.225 20 0 FGADHM COCCN(C(=O)c1ccc(C(C)C)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736989077 599116260 /nfs/dbraw/zinc/11/62/60/599116260.db2.gz UYSKXUFRKLCNHV-UHFFFAOYSA-N -1 3 365.437 3.283 20 0 FGADHM COCCN(C(=O)c1ccc(C(C)C)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736989077 599116263 /nfs/dbraw/zinc/11/62/63/599116263.db2.gz UYSKXUFRKLCNHV-UHFFFAOYSA-N -1 3 365.437 3.283 20 0 FGADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2NCc1cccc(Cl)c1 ZINC000737410836 599122991 /nfs/dbraw/zinc/12/29/91/599122991.db2.gz UMDMDVYUUJCJLY-UHFFFAOYSA-N -1 3 350.813 3.411 20 0 FGADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2NCc1cccc(Cl)c1 ZINC000737410836 599122993 /nfs/dbraw/zinc/12/29/93/599122993.db2.gz UMDMDVYUUJCJLY-UHFFFAOYSA-N -1 3 350.813 3.411 20 0 FGADHM O=C(OC/C=C/Cl)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000738220368 599131360 /nfs/dbraw/zinc/13/13/60/599131360.db2.gz GPFUZJILHIXMFN-FPYGCLRLSA-N -1 3 370.796 3.355 20 0 FGADHM O=C(OC/C=C/Cl)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000738220368 599131362 /nfs/dbraw/zinc/13/13/62/599131362.db2.gz GPFUZJILHIXMFN-FPYGCLRLSA-N -1 3 370.796 3.355 20 0 FGADHM Cc1ccc([C@@H](C)C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)o1 ZINC000822227332 599147698 /nfs/dbraw/zinc/14/76/98/599147698.db2.gz DTZCCWRILNGFDC-CQSZACIVSA-N -1 3 353.426 3.309 20 0 FGADHM Cc1ccc([C@@H](C)C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)o1 ZINC000822227332 599147700 /nfs/dbraw/zinc/14/77/00/599147700.db2.gz DTZCCWRILNGFDC-CQSZACIVSA-N -1 3 353.426 3.309 20 0 FGADHM O=Cc1cc(OCc2ccccc2-c2nnn[n-]2)ccc1Br ZINC000823557343 607259290 /nfs/dbraw/zinc/25/92/90/607259290.db2.gz KAFPVOSBKXCLBQ-UHFFFAOYSA-N -1 3 359.183 3.021 20 0 FGADHM O=Cc1cc(OCc2ccccc2-c2nn[n-]n2)ccc1Br ZINC000823557343 607259291 /nfs/dbraw/zinc/25/92/91/607259291.db2.gz KAFPVOSBKXCLBQ-UHFFFAOYSA-N -1 3 359.183 3.021 20 0 FGADHM C[C@H](CC(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F)c1cccc(F)c1 ZINC000735977311 599159763 /nfs/dbraw/zinc/15/97/63/599159763.db2.gz VELCSZLKPLHKPH-LLVKDONJSA-N -1 3 357.364 3.302 20 0 FGADHM C[C@H](CC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F)c1cccc(F)c1 ZINC000735977311 599159766 /nfs/dbraw/zinc/15/97/66/599159766.db2.gz VELCSZLKPLHKPH-LLVKDONJSA-N -1 3 357.364 3.302 20 0 FGADHM Fc1ccc(SCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)cc1F ZINC000737657043 599163044 /nfs/dbraw/zinc/16/30/44/599163044.db2.gz SUALXDWEATWFCP-UHFFFAOYSA-N -1 3 372.360 3.487 20 0 FGADHM Fc1ccc(SCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)cc1F ZINC000737657043 599163047 /nfs/dbraw/zinc/16/30/47/599163047.db2.gz SUALXDWEATWFCP-UHFFFAOYSA-N -1 3 372.360 3.487 20 0 FGADHM CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736350484 599166672 /nfs/dbraw/zinc/16/66/72/599166672.db2.gz AVCDMTRCEIYTFB-INIZCTEOSA-N -1 3 355.829 3.271 20 0 FGADHM CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736350484 599166676 /nfs/dbraw/zinc/16/66/76/599166676.db2.gz AVCDMTRCEIYTFB-INIZCTEOSA-N -1 3 355.829 3.271 20 0 FGADHM CC[C@H](Cc1ccc(Cl)cc1)Nc1nnc(C)c(C)c1-c1nnn[n-]1 ZINC000736354522 599173284 /nfs/dbraw/zinc/17/32/84/599173284.db2.gz UHBUXWXMARSHNC-CQSZACIVSA-N -1 3 357.849 3.360 20 0 FGADHM CC[C@H](Cc1ccc(Cl)cc1)Nc1nnc(C)c(C)c1-c1nn[n-]n1 ZINC000736354522 599173287 /nfs/dbraw/zinc/17/32/87/599173287.db2.gz UHBUXWXMARSHNC-CQSZACIVSA-N -1 3 357.849 3.360 20 0 FGADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)c1cccc(Cl)c1Cl ZINC000823241700 599179766 /nfs/dbraw/zinc/17/97/66/599179766.db2.gz CPVXNJJUZXTNTE-UHFFFAOYSA-N -1 3 366.183 3.243 20 0 FGADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)c1cccc(Cl)c1Cl ZINC000823241700 599179767 /nfs/dbraw/zinc/17/97/67/599179767.db2.gz CPVXNJJUZXTNTE-UHFFFAOYSA-N -1 3 366.183 3.243 20 0 FGADHM Cc1ccc(-c2ocnc2C(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737303040 599183049 /nfs/dbraw/zinc/18/30/49/599183049.db2.gz GONFPISAPWTFIU-CYBMUJFWSA-N -1 3 374.404 3.321 20 0 FGADHM Cc1ccc(-c2ocnc2C(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737303040 599183050 /nfs/dbraw/zinc/18/30/50/599183050.db2.gz GONFPISAPWTFIU-CYBMUJFWSA-N -1 3 374.404 3.321 20 0 FGADHM C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820668828 599189744 /nfs/dbraw/zinc/18/97/44/599189744.db2.gz XDAPBVINVPFSKS-ACJLOTCBSA-N -1 3 365.412 3.158 20 0 FGADHM C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820668828 599189747 /nfs/dbraw/zinc/18/97/47/599189747.db2.gz XDAPBVINVPFSKS-ACJLOTCBSA-N -1 3 365.412 3.158 20 0 FGADHM CCOC(=O)c1ccc(-c2nnn[n-]2)c(SC[C@H](C)c2ccccc2)n1 ZINC000736603357 599192614 /nfs/dbraw/zinc/19/26/14/599192614.db2.gz OBAXSDNUVCFEBN-LBPRGKRZSA-N -1 3 369.450 3.334 20 0 FGADHM CCOC(=O)c1ccc(-c2nn[n-]n2)c(SC[C@H](C)c2ccccc2)n1 ZINC000736603357 599192617 /nfs/dbraw/zinc/19/26/17/599192617.db2.gz OBAXSDNUVCFEBN-LBPRGKRZSA-N -1 3 369.450 3.334 20 0 FGADHM Cc1cc(F)cc2[nH]c(C(=O)N[C@@H](C)c3ccc(-c4nnn[n-]4)cc3)cc21 ZINC000737262318 599200201 /nfs/dbraw/zinc/20/02/01/599200201.db2.gz FBHXVOCCJBJNHO-NSHDSACASA-N -1 3 364.384 3.287 20 0 FGADHM Cc1cc(F)cc2[nH]c(C(=O)N[C@@H](C)c3ccc(-c4nn[n-]n4)cc3)cc21 ZINC000737262318 599200202 /nfs/dbraw/zinc/20/02/02/599200202.db2.gz FBHXVOCCJBJNHO-NSHDSACASA-N -1 3 364.384 3.287 20 0 FGADHM O=C(c1sccc1-c1nnn[n-]1)N1CC[C@H](CSc2ccccc2)C1 ZINC000823498342 599200290 /nfs/dbraw/zinc/20/02/90/599200290.db2.gz LPPYEWXVFWKWMD-LBPRGKRZSA-N -1 3 371.491 3.183 20 0 FGADHM O=C(c1sccc1-c1nn[n-]n1)N1CC[C@H](CSc2ccccc2)C1 ZINC000823498342 599200292 /nfs/dbraw/zinc/20/02/92/599200292.db2.gz LPPYEWXVFWKWMD-LBPRGKRZSA-N -1 3 371.491 3.183 20 0 FGADHM COC[C@@H](C)C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000821681940 599220706 /nfs/dbraw/zinc/22/07/06/599220706.db2.gz WDLBFBCHFCMKEQ-LLVKDONJSA-N -1 3 371.372 3.019 20 0 FGADHM COC[C@@H](C)C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000821681940 599220708 /nfs/dbraw/zinc/22/07/08/599220708.db2.gz WDLBFBCHFCMKEQ-LLVKDONJSA-N -1 3 371.372 3.019 20 0 FGADHM C[C@H](CNC(=S)Nc1ccccc1-c1nnn[n-]1)Sc1ccccc1 ZINC000820274135 599227395 /nfs/dbraw/zinc/22/73/95/599227395.db2.gz DSYJJICJQOLZLB-GFCCVEGCSA-N -1 3 370.507 3.334 20 0 FGADHM C[C@H](CNC(=S)Nc1ccccc1-c1nn[n-]n1)Sc1ccccc1 ZINC000820274135 599227397 /nfs/dbraw/zinc/22/73/97/599227397.db2.gz DSYJJICJQOLZLB-GFCCVEGCSA-N -1 3 370.507 3.334 20 0 FGADHM CC1(C)C[C@@H](NC(=O)C=Cc2ccccc2-c2nnn[n-]2)c2ccccc21 ZINC000820586699 607265893 /nfs/dbraw/zinc/26/58/93/607265893.db2.gz ZAINBOZRSYXIJX-IENJSVCTSA-N -1 3 359.433 3.419 20 0 FGADHM CC1(C)C[C@@H](NC(=O)C=Cc2ccccc2-c2nn[n-]n2)c2ccccc21 ZINC000820586699 607265894 /nfs/dbraw/zinc/26/58/94/607265894.db2.gz ZAINBOZRSYXIJX-IENJSVCTSA-N -1 3 359.433 3.419 20 0 FGADHM COc1cccc([C@H](C)CC(=O)Nc2cccc(-c3nnn[n-]3)c2C)c1 ZINC000821858358 607267135 /nfs/dbraw/zinc/26/71/35/607267135.db2.gz FGWLDMXXYKESKL-GFCCVEGCSA-N -1 3 351.410 3.316 20 0 FGADHM COc1cccc([C@H](C)CC(=O)Nc2cccc(-c3nn[n-]n3)c2C)c1 ZINC000821858358 607267136 /nfs/dbraw/zinc/26/71/36/607267136.db2.gz FGWLDMXXYKESKL-GFCCVEGCSA-N -1 3 351.410 3.316 20 0 FGADHM Cc1cccc2c(CCNC(=O)Nc3ccc(-c4nnn[n-]4)cc3)c[nH]c21 ZINC000822332381 599242085 /nfs/dbraw/zinc/24/20/85/599242085.db2.gz PEOKIQOTIDTBII-UHFFFAOYSA-N -1 3 361.409 3.021 20 0 FGADHM Cc1cccc2c(CCNC(=O)Nc3ccc(-c4nn[n-]n4)cc3)c[nH]c21 ZINC000822332381 599242088 /nfs/dbraw/zinc/24/20/88/599242088.db2.gz PEOKIQOTIDTBII-UHFFFAOYSA-N -1 3 361.409 3.021 20 0 FGADHM Cc1c(NC(=O)CCCc2nc3ccccc3[nH]2)cccc1-c1nnn[n-]1 ZINC000822067536 607269605 /nfs/dbraw/zinc/26/96/05/607269605.db2.gz KTELEFWAVHUBRZ-UHFFFAOYSA-N -1 3 361.409 3.013 20 0 FGADHM Cc1c(NC(=O)CCCc2nc3ccccc3[nH]2)cccc1-c1nn[n-]n1 ZINC000822067536 607269606 /nfs/dbraw/zinc/26/96/06/607269606.db2.gz KTELEFWAVHUBRZ-UHFFFAOYSA-N -1 3 361.409 3.013 20 0 FGADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)Nc1cccc2c1CCCC2 ZINC000823238921 599244920 /nfs/dbraw/zinc/24/49/20/599244920.db2.gz TWTHZEXYKWXNJB-UHFFFAOYSA-N -1 3 366.400 3.206 20 0 FGADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)Nc1cccc2c1CCCC2 ZINC000823238921 599244921 /nfs/dbraw/zinc/24/49/21/599244921.db2.gz TWTHZEXYKWXNJB-UHFFFAOYSA-N -1 3 366.400 3.206 20 0 FGADHM C[C@H](NC(=O)C=Cc1ccnc2ccccc12)c1ccc(-c2nnn[n-]2)cc1 ZINC000736099803 599246152 /nfs/dbraw/zinc/24/61/52/599246152.db2.gz IAQDQQDXIWJWTJ-VNDWYCCKSA-N -1 3 370.416 3.306 20 0 FGADHM C[C@H](NC(=O)C=Cc1ccnc2ccccc12)c1ccc(-c2nn[n-]n2)cc1 ZINC000736099803 599246154 /nfs/dbraw/zinc/24/61/54/599246154.db2.gz IAQDQQDXIWJWTJ-VNDWYCCKSA-N -1 3 370.416 3.306 20 0 FGADHM CO[C@H](CNC(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)cc1 ZINC000821677244 599246615 /nfs/dbraw/zinc/24/66/15/599246615.db2.gz RUOJTFLMFSNFTQ-OAHLLOKOSA-N -1 3 372.816 3.029 20 0 FGADHM CO[C@H](CNC(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)cc1 ZINC000821677244 599246616 /nfs/dbraw/zinc/24/66/16/599246616.db2.gz RUOJTFLMFSNFTQ-OAHLLOKOSA-N -1 3 372.816 3.029 20 0 FGADHM Cc1ccc(NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)cn1 ZINC000822248797 607274794 /nfs/dbraw/zinc/27/47/94/607274794.db2.gz OEWMEDLEJVLZJO-UHFFFAOYSA-N -1 3 351.414 3.013 20 0 FGADHM Cc1ccc(NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)cn1 ZINC000822248797 607274795 /nfs/dbraw/zinc/27/47/95/607274795.db2.gz OEWMEDLEJVLZJO-UHFFFAOYSA-N -1 3 351.414 3.013 20 0 FGADHM Cc1cc(N(C)C)ccc1NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822205798 599255737 /nfs/dbraw/zinc/25/57/37/599255737.db2.gz IOVBSTGSMXCDBL-ZDUSSCGKSA-N -1 3 365.441 3.124 20 0 FGADHM Cc1cc(N(C)C)ccc1NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822205798 599255738 /nfs/dbraw/zinc/25/57/38/599255738.db2.gz IOVBSTGSMXCDBL-ZDUSSCGKSA-N -1 3 365.441 3.124 20 0 FGADHM Cc1ccc(O[C@H](C)CNC(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1 ZINC000822259127 607284287 /nfs/dbraw/zinc/28/42/87/607284287.db2.gz NJISUXWVAYAILK-CYBMUJFWSA-N -1 3 366.425 3.073 20 0 FGADHM Cc1ccc(O[C@H](C)CNC(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1 ZINC000822259127 607284288 /nfs/dbraw/zinc/28/42/88/607284288.db2.gz NJISUXWVAYAILK-CYBMUJFWSA-N -1 3 366.425 3.073 20 0 FGADHM Cc1csc([C@H](NC(=O)Nc2cccc(-c3nnn[n-]3)c2C)C2CC2)n1 ZINC000822409160 607284621 /nfs/dbraw/zinc/28/46/21/607284621.db2.gz NPVNLTJCQFUDTH-CQSZACIVSA-N -1 3 369.454 3.213 20 0 FGADHM Cc1csc([C@H](NC(=O)Nc2cccc(-c3nn[n-]n3)c2C)C2CC2)n1 ZINC000822409160 607284622 /nfs/dbraw/zinc/28/46/22/607284622.db2.gz NPVNLTJCQFUDTH-CQSZACIVSA-N -1 3 369.454 3.213 20 0 FGADHM Cc1c(NC(=O)Nc2ccccc2OCC(F)F)cccc1-c1nnn[n-]1 ZINC000822103470 607285933 /nfs/dbraw/zinc/28/59/33/607285933.db2.gz GXTUJDFAEYGVFX-UHFFFAOYSA-N -1 3 374.351 3.463 20 0 FGADHM Cc1c(NC(=O)Nc2ccccc2OCC(F)F)cccc1-c1nn[n-]n1 ZINC000822103470 607285934 /nfs/dbraw/zinc/28/59/34/607285934.db2.gz GXTUJDFAEYGVFX-UHFFFAOYSA-N -1 3 374.351 3.463 20 0 FGADHM CCOc1cc(C)ccc1NC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821393786 599257813 /nfs/dbraw/zinc/25/78/13/599257813.db2.gz ATOBVSMQTFHAII-CYBMUJFWSA-N -1 3 366.425 3.457 20 0 FGADHM CCOc1cc(C)ccc1NC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821393786 599257815 /nfs/dbraw/zinc/25/78/15/599257815.db2.gz ATOBVSMQTFHAII-CYBMUJFWSA-N -1 3 366.425 3.457 20 0 FGADHM CCOc1cc(C)ccc1NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821393787 599257818 /nfs/dbraw/zinc/25/78/18/599257818.db2.gz ATOBVSMQTFHAII-ZDUSSCGKSA-N -1 3 366.425 3.457 20 0 FGADHM CCOc1cc(C)ccc1NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821393787 599257820 /nfs/dbraw/zinc/25/78/20/599257820.db2.gz ATOBVSMQTFHAII-ZDUSSCGKSA-N -1 3 366.425 3.457 20 0 FGADHM Cc1c(NC(=O)NC2(c3nccs3)CCCC2)cccc1-c1nnn[n-]1 ZINC000822090729 607290034 /nfs/dbraw/zinc/29/00/34/607290034.db2.gz MLXKCMMTRXSBED-UHFFFAOYSA-N -1 3 369.454 3.223 20 0 FGADHM Cc1c(NC(=O)NC2(c3nccs3)CCCC2)cccc1-c1nn[n-]n1 ZINC000822090729 607290035 /nfs/dbraw/zinc/29/00/35/607290035.db2.gz MLXKCMMTRXSBED-UHFFFAOYSA-N -1 3 369.454 3.223 20 0 FGADHM Cc1c(NC(=O)N(C)[C@H](C)c2cccc(O)c2)cccc1-c1nnn[n-]1 ZINC000822075696 607290473 /nfs/dbraw/zinc/29/04/73/607290473.db2.gz HTEBJYOBHFLKHD-GFCCVEGCSA-N -1 3 352.398 3.106 20 0 FGADHM Cc1c(NC(=O)N(C)[C@H](C)c2cccc(O)c2)cccc1-c1nn[n-]n1 ZINC000822075696 607290474 /nfs/dbraw/zinc/29/04/74/607290474.db2.gz HTEBJYOBHFLKHD-GFCCVEGCSA-N -1 3 352.398 3.106 20 0 FGADHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2N[C@H]1CCc2ccccc21 ZINC000737262490 599262387 /nfs/dbraw/zinc/26/23/87/599262387.db2.gz HLRIUOINFQHCJH-KRWDZBQOSA-N -1 3 360.396 3.384 20 0 FGADHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2N[C@H]1CCc2ccccc21 ZINC000737262490 599262389 /nfs/dbraw/zinc/26/23/89/599262389.db2.gz HLRIUOINFQHCJH-KRWDZBQOSA-N -1 3 360.396 3.384 20 0 FGADHM Cc1c(NC(=O)NCCc2cc3ccccc3o2)cccc1-c1nnn[n-]1 ZINC000822097233 607291797 /nfs/dbraw/zinc/29/17/97/607291797.db2.gz VXUNDQKXZVLCSZ-UHFFFAOYSA-N -1 3 362.393 3.286 20 0 FGADHM Cc1c(NC(=O)NCCc2cc3ccccc3o2)cccc1-c1nn[n-]n1 ZINC000822097233 607291798 /nfs/dbraw/zinc/29/17/98/607291798.db2.gz VXUNDQKXZVLCSZ-UHFFFAOYSA-N -1 3 362.393 3.286 20 0 FGADHM Cc1c(NC(=O)N[C@H](C)c2c(F)cccc2F)cccc1-c1nnn[n-]1 ZINC000822088955 607292446 /nfs/dbraw/zinc/29/24/46/607292446.db2.gz BPDPIOFPACLYIQ-SNVBAGLBSA-N -1 3 358.352 3.336 20 0 FGADHM Cc1c(NC(=O)N[C@H](C)c2c(F)cccc2F)cccc1-c1nn[n-]n1 ZINC000822088955 607292447 /nfs/dbraw/zinc/29/24/47/607292447.db2.gz BPDPIOFPACLYIQ-SNVBAGLBSA-N -1 3 358.352 3.336 20 0 FGADHM Cc1ccc(CN(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)C2CC2)o1 ZINC000822236253 607292688 /nfs/dbraw/zinc/29/26/88/607292688.db2.gz QYCMNMMUGHZVBW-UHFFFAOYSA-N -1 3 352.398 3.273 20 0 FGADHM Cc1ccc(CN(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)C2CC2)o1 ZINC000822236253 607292689 /nfs/dbraw/zinc/29/26/89/607292689.db2.gz QYCMNMMUGHZVBW-UHFFFAOYSA-N -1 3 352.398 3.273 20 0 FGADHM Cc1oc(-c2cccs2)nc1C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000822535378 607296195 /nfs/dbraw/zinc/29/61/95/607296195.db2.gz PGQWFSAMYLMYMC-UHFFFAOYSA-N -1 3 366.406 3.452 20 0 FGADHM Cc1oc(-c2cccs2)nc1C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000822535378 607296196 /nfs/dbraw/zinc/29/61/96/607296196.db2.gz PGQWFSAMYLMYMC-UHFFFAOYSA-N -1 3 366.406 3.452 20 0 FGADHM Cc1cc(C)n(-c2ccc(C(=O)Nc3cccc(-c4nnn[n-]4)c3C)cc2)n1 ZINC000822197552 607297638 /nfs/dbraw/zinc/29/76/38/607297638.db2.gz FPVTXNWTXGSLBW-UHFFFAOYSA-N -1 3 373.420 3.230 20 0 FGADHM Cc1cc(C)n(-c2ccc(C(=O)Nc3cccc(-c4nn[n-]n4)c3C)cc2)n1 ZINC000822197552 607297639 /nfs/dbraw/zinc/29/76/39/607297639.db2.gz FPVTXNWTXGSLBW-UHFFFAOYSA-N -1 3 373.420 3.230 20 0 FGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N([C@@H](C)C1CC1)C1CC1 ZINC000820151083 599263862 /nfs/dbraw/zinc/26/38/62/599263862.db2.gz CJHIAGXVMXFKBK-LBPRGKRZSA-N -1 3 370.457 3.449 20 0 FGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N([C@@H](C)C1CC1)C1CC1 ZINC000820151083 599263863 /nfs/dbraw/zinc/26/38/63/599263863.db2.gz CJHIAGXVMXFKBK-LBPRGKRZSA-N -1 3 370.457 3.449 20 0 FGADHM CC(C)n1ncc2ccc(NCc3cnc4ccc(-c5nnn[n-]5)cn34)cc21 ZINC000820215027 607313903 /nfs/dbraw/zinc/31/39/03/607313903.db2.gz QEEHZGHQQLEOJE-UHFFFAOYSA-N -1 3 373.424 3.057 20 0 FGADHM CC(C)n1ncc2ccc(NCc3cnc4ccc(-c5nn[n-]n5)cn34)cc21 ZINC000820215027 607313904 /nfs/dbraw/zinc/31/39/04/607313904.db2.gz QEEHZGHQQLEOJE-UHFFFAOYSA-N -1 3 373.424 3.057 20 0 FGADHM C[C@@H]1CN(c2ccc(NCc3ccc(-c4nnn[n-]4)s3)cc2)C[C@@H](C)O1 ZINC000820774498 607314850 /nfs/dbraw/zinc/31/48/50/607314850.db2.gz DRZZUNZZKUVCCF-CHWSQXEVSA-N -1 3 370.482 3.154 20 0 FGADHM CCC(CC)n1nccc1C(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820902848 607317398 /nfs/dbraw/zinc/31/73/98/607317398.db2.gz OTHHCWRVIOPHIT-GFCCVEGCSA-N -1 3 354.414 3.342 20 0 FGADHM CCC(CC)n1nccc1C(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820902848 607317399 /nfs/dbraw/zinc/31/73/99/607317399.db2.gz OTHHCWRVIOPHIT-GFCCVEGCSA-N -1 3 354.414 3.342 20 0 FGADHM COC(=O)[C@@H](N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)c1cccc(Cl)c1 ZINC000736893478 599274144 /nfs/dbraw/zinc/27/41/44/599274144.db2.gz DJBWZYSBYQQSQB-ZBEGNZNMSA-N -1 3 371.828 3.085 20 0 FGADHM COC(=O)[C@@H](N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)c1cccc(Cl)c1 ZINC000736893478 599274145 /nfs/dbraw/zinc/27/41/45/599274145.db2.gz DJBWZYSBYQQSQB-ZBEGNZNMSA-N -1 3 371.828 3.085 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc2ccccc2n1 ZINC000736489398 599278238 /nfs/dbraw/zinc/27/82/38/599278238.db2.gz ZFYFWMXDYPDCAD-UHFFFAOYSA-N -1 3 373.420 3.489 20 0 FGADHM C[C@H](OC(=O)C[C@H]1CCOc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000736150480 599282215 /nfs/dbraw/zinc/28/22/15/599282215.db2.gz OCAWYBGHGBZMNG-DZGCQCFKSA-N -1 3 364.405 3.427 20 0 FGADHM C[C@H](OC(=O)C[C@H]1CCOc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000736150480 599282218 /nfs/dbraw/zinc/28/22/18/599282218.db2.gz OCAWYBGHGBZMNG-DZGCQCFKSA-N -1 3 364.405 3.427 20 0 FGADHM CCN(C(=O)COc1c(C)cc(-c2nn[n-]n2)cc1C)C1CCCCC1 ZINC000736506183 599282707 /nfs/dbraw/zinc/28/27/07/599282707.db2.gz XHOSVYKKGGYIOT-UHFFFAOYSA-N -1 3 357.458 3.044 20 0 FGADHM Cc1cc(-c2nn[n-]n2)cc(C)c1OCC(=O)N1CCC[C@@H]2CCCC[C@H]21 ZINC000737220518 599282804 /nfs/dbraw/zinc/28/28/04/599282804.db2.gz BOJLQMICALQZBN-DOTOQJQBSA-N -1 3 369.469 3.044 20 0 FGADHM Cc1csc([C@H]2CCCN(C(=O)Nc3ccc(-c4nnn[n-]4)cc3)C2)n1 ZINC000737455451 599285538 /nfs/dbraw/zinc/28/55/38/599285538.db2.gz RQKIULPUOIMCIT-ZDUSSCGKSA-N -1 3 369.454 3.043 20 0 FGADHM Cc1csc([C@H]2CCCN(C(=O)Nc3ccc(-c4nn[n-]n4)cc3)C2)n1 ZINC000737455451 599285541 /nfs/dbraw/zinc/28/55/41/599285541.db2.gz RQKIULPUOIMCIT-ZDUSSCGKSA-N -1 3 369.454 3.043 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N1Cc2ccccc2C(F)(F)C1 ZINC000823309080 607325992 /nfs/dbraw/zinc/32/59/92/607325992.db2.gz RPKHSEHDLRUQPX-UHFFFAOYSA-N -1 3 356.336 3.006 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N1Cc2ccccc2C(F)(F)C1 ZINC000823309080 607325993 /nfs/dbraw/zinc/32/59/93/607325993.db2.gz RPKHSEHDLRUQPX-UHFFFAOYSA-N -1 3 356.336 3.006 20 0 FGADHM C[C@@H](NCc1cccc(C(=O)[O-])c1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000263448103 598203216 /nfs/dbraw/zinc/20/32/16/598203216.db2.gz YOOUFRFMYVMVAM-OAHLLOKOSA-N -1 3 371.456 3.127 20 0 FGADHM CC(C)OCCC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735895728 598231570 /nfs/dbraw/zinc/23/15/70/598231570.db2.gz FYGOROMTNVWILW-UHFFFAOYSA-N -1 3 367.409 3.413 20 0 FGADHM CC(C)OCCC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735895728 598231572 /nfs/dbraw/zinc/23/15/72/598231572.db2.gz FYGOROMTNVWILW-UHFFFAOYSA-N -1 3 367.409 3.413 20 0 FGADHM CC(C)C[C@H](C)CC(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000735760610 598237191 /nfs/dbraw/zinc/23/71/91/598237191.db2.gz FFWSZQBAHBRZRE-HNNXBMFYSA-N -1 3 371.485 3.309 20 0 FGADHM CC(C)C[C@H](C)CC(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000735760610 598237193 /nfs/dbraw/zinc/23/71/93/598237193.db2.gz FFWSZQBAHBRZRE-HNNXBMFYSA-N -1 3 371.485 3.309 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1NCc1ccnc(OC2CCCC2)c1 ZINC000737643872 598238504 /nfs/dbraw/zinc/23/85/04/598238504.db2.gz HDFZGKNYWJJOTL-UHFFFAOYSA-N -1 3 354.389 3.334 20 0 FGADHM CSc1nc2ncnc(N[C@@H](C)c3ccc(-c4nnn[n-]4)cc3)c2s1 ZINC000737189184 598241716 /nfs/dbraw/zinc/24/17/16/598241716.db2.gz LBWHIGXKWKJCEN-QMMMGPOBSA-N -1 3 370.467 3.161 20 0 FGADHM CSc1nc2ncnc(N[C@@H](C)c3ccc(-c4nn[n-]n4)cc3)c2s1 ZINC000737189184 598241718 /nfs/dbraw/zinc/24/17/18/598241718.db2.gz LBWHIGXKWKJCEN-QMMMGPOBSA-N -1 3 370.467 3.161 20 0 FGADHM COc1cc(CN(C)c2ccc(-c3nn[n-]n3)cc2F)ccc1SC ZINC000737045139 598242762 /nfs/dbraw/zinc/24/27/62/598242762.db2.gz FPKNEMBVYGKPST-UHFFFAOYSA-N -1 3 359.430 3.373 20 0 FGADHM COc1ccc(CNc2ccc(-c3nn[n-]n3)cc2)cc1Br ZINC000737094898 598248172 /nfs/dbraw/zinc/24/81/72/598248172.db2.gz CNNBGKHDNRCWQP-UHFFFAOYSA-N -1 3 360.215 3.250 20 0 FGADHM Cc1ccc(N(CC(=O)Nc2ccc(-c3nnn[n-]3)cc2)C(C)C)cc1 ZINC000737347067 598252067 /nfs/dbraw/zinc/25/20/67/598252067.db2.gz LGTRGGYGXWAJGP-UHFFFAOYSA-N -1 3 350.426 3.029 20 0 FGADHM Cc1ccc(N(CC(=O)Nc2ccc(-c3nn[n-]n3)cc2)C(C)C)cc1 ZINC000737347067 598252068 /nfs/dbraw/zinc/25/20/68/598252068.db2.gz LGTRGGYGXWAJGP-UHFFFAOYSA-N -1 3 350.426 3.029 20 0 FGADHM C[C@H]1C[C@H]1NC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736238830 598266523 /nfs/dbraw/zinc/26/65/23/598266523.db2.gz RRDXWNGANJMBLX-MEDUHNTESA-N -1 3 350.382 3.189 20 0 FGADHM C[C@H]1C[C@H]1NC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736238830 598266524 /nfs/dbraw/zinc/26/65/24/598266524.db2.gz RRDXWNGANJMBLX-MEDUHNTESA-N -1 3 350.382 3.189 20 0 FGADHM C[C@@H](Nc1cccc(C(F)F)c1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736136089 598273078 /nfs/dbraw/zinc/27/30/78/598273078.db2.gz FCKGRUFIABVLEL-SNVBAGLBSA-N -1 3 358.352 3.243 20 0 FGADHM C[C@@H](Nc1cccc(C(F)F)c1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736136089 598273080 /nfs/dbraw/zinc/27/30/80/598273080.db2.gz FCKGRUFIABVLEL-SNVBAGLBSA-N -1 3 358.352 3.243 20 0 FGADHM Cc1cc(C)cc(NC(=S)NCc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000737249714 598297737 /nfs/dbraw/zinc/29/77/37/598297737.db2.gz BWJITSBNSJEDSU-UHFFFAOYSA-N -1 3 356.430 3.109 20 0 FGADHM Cc1cc(C)cc(NC(=S)NCc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000737249714 598297738 /nfs/dbraw/zinc/29/77/38/598297738.db2.gz BWJITSBNSJEDSU-UHFFFAOYSA-N -1 3 356.430 3.109 20 0 FGADHM COc1cccc2cc(CNCc3ccc(-c4nn[n-]n4)cc3F)oc21 ZINC000737142253 598316204 /nfs/dbraw/zinc/31/62/04/598316204.db2.gz JFZPWGGSGCEVID-UHFFFAOYSA-N -1 3 353.357 3.050 20 0 FGADHM C[C@H]1CCCC[C@@H]1NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736273086 598317182 /nfs/dbraw/zinc/31/71/82/598317182.db2.gz QXGUZIMOPNKUJI-ZANVPECISA-N -1 3 350.879 3.385 20 0 FGADHM C[C@H]1CCCC[C@@H]1NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736273086 598317184 /nfs/dbraw/zinc/31/71/84/598317184.db2.gz QXGUZIMOPNKUJI-ZANVPECISA-N -1 3 350.879 3.385 20 0 FGADHM S=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CCCCCCC1 ZINC000738401713 598317669 /nfs/dbraw/zinc/31/76/69/598317669.db2.gz RZWHNVANQFPJRZ-UHFFFAOYSA-N -1 3 350.879 3.483 20 0 FGADHM S=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CCCCCCC1 ZINC000738401713 598317670 /nfs/dbraw/zinc/31/76/70/598317670.db2.gz RZWHNVANQFPJRZ-UHFFFAOYSA-N -1 3 350.879 3.483 20 0 FGADHM CCCCN(C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C1CC1 ZINC000736451583 598321719 /nfs/dbraw/zinc/32/17/19/598321719.db2.gz MOAONFMPQHDHPZ-UHFFFAOYSA-N -1 3 350.879 3.481 20 0 FGADHM CCCCN(C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C1CC1 ZINC000736451583 598321720 /nfs/dbraw/zinc/32/17/20/598321720.db2.gz MOAONFMPQHDHPZ-UHFFFAOYSA-N -1 3 350.879 3.481 20 0 FGADHM CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000736238340 598325045 /nfs/dbraw/zinc/32/50/45/598325045.db2.gz UWBFGDKCZXVWOW-PVUWLOKVSA-N -1 3 374.464 3.266 20 0 FGADHM CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000736238340 598325047 /nfs/dbraw/zinc/32/50/47/598325047.db2.gz UWBFGDKCZXVWOW-PVUWLOKVSA-N -1 3 374.464 3.266 20 0 FGADHM C[C@H](OC(=O)c1ccc(Br)o1)c1cccc(-c2nnn[n-]2)c1 ZINC000736159065 598331098 /nfs/dbraw/zinc/33/10/98/598331098.db2.gz UCCMIXVAGMBXDJ-QMMMGPOBSA-N -1 3 363.171 3.140 20 0 FGADHM C[C@H](OC(=O)c1ccc(Br)o1)c1cccc(-c2nn[n-]n2)c1 ZINC000736159065 598331100 /nfs/dbraw/zinc/33/11/00/598331100.db2.gz UCCMIXVAGMBXDJ-QMMMGPOBSA-N -1 3 363.171 3.140 20 0 FGADHM CCC(CC)n1ccc(COC(=O)CCc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000820898253 607350874 /nfs/dbraw/zinc/35/08/74/607350874.db2.gz XFCVBWZMXQSVPZ-UHFFFAOYSA-N -1 3 368.441 3.100 20 0 FGADHM CCC(CC)n1ccc(COC(=O)CCc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000820898253 607350876 /nfs/dbraw/zinc/35/08/76/607350876.db2.gz XFCVBWZMXQSVPZ-UHFFFAOYSA-N -1 3 368.441 3.100 20 0 FGADHM Fc1c(CSCCCOCC(F)(F)F)cccc1-c1nn[n-]n1 ZINC000826371146 608404717 /nfs/dbraw/zinc/40/47/17/608404717.db2.gz VFNBSIDNOKCGEO-UHFFFAOYSA-N -1 3 350.341 3.208 20 0 FGADHM CN(CC(C)(C)C)C(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000736788777 598380048 /nfs/dbraw/zinc/38/00/48/598380048.db2.gz OWRKBHCYVKVJHN-UHFFFAOYSA-N -1 3 369.425 3.157 20 0 FGADHM CN(CC(C)(C)C)C(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000736788777 598380050 /nfs/dbraw/zinc/38/00/50/598380050.db2.gz OWRKBHCYVKVJHN-UHFFFAOYSA-N -1 3 369.425 3.157 20 0 FGADHM O=C(Nc1cc(F)ccc1N1CCCCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000738146313 598382393 /nfs/dbraw/zinc/38/23/93/598382393.db2.gz WMLWPWDTPPJJEL-UHFFFAOYSA-N -1 3 366.400 3.248 20 0 FGADHM O=C(Nc1cc(F)ccc1N1CCCCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000738146313 598382395 /nfs/dbraw/zinc/38/23/95/598382395.db2.gz WMLWPWDTPPJJEL-UHFFFAOYSA-N -1 3 366.400 3.248 20 0 FGADHM CCN(C(=O)CNc1ccc(-c2nn[n-]n2)cc1)c1ccc2ccccc2c1 ZINC000736505454 598384292 /nfs/dbraw/zinc/38/42/92/598384292.db2.gz OGRZGAGTQHLSIK-UHFFFAOYSA-N -1 3 372.432 3.485 20 0 FGADHM C[C@H](OCCCNc1ncc(-c2nnn[n-]2)cc1Cl)c1ccccc1 ZINC000736164852 598387314 /nfs/dbraw/zinc/38/73/14/598387314.db2.gz PLLKFMMJXIJNAN-LBPRGKRZSA-N -1 3 358.833 3.495 20 0 FGADHM C[C@H](OCCCNc1ncc(-c2nn[n-]n2)cc1Cl)c1ccccc1 ZINC000736164852 598387316 /nfs/dbraw/zinc/38/73/16/598387316.db2.gz PLLKFMMJXIJNAN-LBPRGKRZSA-N -1 3 358.833 3.495 20 0 FGADHM Clc1cc(-c2nnn[n-]2)cnc1NCc1csc(Br)c1 ZINC000737558539 598390067 /nfs/dbraw/zinc/39/00/67/598390067.db2.gz NBAXVFOWIBODDI-UHFFFAOYSA-N -1 3 371.651 3.351 20 0 FGADHM Clc1cc(-c2nn[n-]n2)cnc1NCc1csc(Br)c1 ZINC000737558539 598390069 /nfs/dbraw/zinc/39/00/69/598390069.db2.gz NBAXVFOWIBODDI-UHFFFAOYSA-N -1 3 371.651 3.351 20 0 FGADHM Clc1cc(-c2nnn[n-]2)cnc1NC[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000737557470 598392314 /nfs/dbraw/zinc/39/23/14/598392314.db2.gz FFTJXXWNFCLYMW-BBRMVZONSA-N -1 3 370.844 3.495 20 0 FGADHM Clc1cc(-c2nn[n-]n2)cnc1NC[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000737557470 598392316 /nfs/dbraw/zinc/39/23/16/598392316.db2.gz FFTJXXWNFCLYMW-BBRMVZONSA-N -1 3 370.844 3.495 20 0 FGADHM Cc1ccc(C)c(CSC[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737322782 598393391 /nfs/dbraw/zinc/39/33/91/598393391.db2.gz NOLVBTRHIJGOFI-KRWDZBQOSA-N -1 3 370.478 3.157 20 0 FGADHM COc1cccc([C@@H]2C[C@H]2C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)c1 ZINC000737131201 598396177 /nfs/dbraw/zinc/39/61/77/598396177.db2.gz WKISILPVBAVROL-UONOGXRCSA-N -1 3 369.812 3.271 20 0 FGADHM COc1cccc([C@@H]2C[C@H]2C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)c1 ZINC000737131201 598396178 /nfs/dbraw/zinc/39/61/78/598396178.db2.gz WKISILPVBAVROL-UONOGXRCSA-N -1 3 369.812 3.271 20 0 FGADHM CCc1c(C)sc(NC(=O)[C@](C)(OC)c2ccccc2)c1-c1nnn[n-]1 ZINC000736670762 598396858 /nfs/dbraw/zinc/39/68/58/598396858.db2.gz QQVBXKBJKKJCKI-GOSISDBHSA-N -1 3 371.466 3.299 20 0 FGADHM CCc1c(C)sc(NC(=O)[C@](C)(OC)c2ccccc2)c1-c1nn[n-]n1 ZINC000736670762 598396859 /nfs/dbraw/zinc/39/68/59/598396859.db2.gz QQVBXKBJKKJCKI-GOSISDBHSA-N -1 3 371.466 3.299 20 0 FGADHM CO[C@@H](C)c1cccc(N[C@H](C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)c1 ZINC000736963417 598397285 /nfs/dbraw/zinc/39/72/85/598397285.db2.gz SRNDNZAKTMSXSR-OLZOCXBDSA-N -1 3 366.425 3.013 20 0 FGADHM CO[C@@H](C)c1cccc(N[C@H](C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)c1 ZINC000736963417 598397286 /nfs/dbraw/zinc/39/72/86/598397286.db2.gz SRNDNZAKTMSXSR-OLZOCXBDSA-N -1 3 366.425 3.013 20 0 FGADHM C[C@@H](NC(=O)c1c[nH]c2cc(Cl)ccc12)c1ccc(-c2nnn[n-]2)cc1 ZINC000736115286 598401056 /nfs/dbraw/zinc/40/10/56/598401056.db2.gz GXONWRHCGOWEEV-SNVBAGLBSA-N -1 3 366.812 3.492 20 0 FGADHM C[C@@H](NC(=O)c1c[nH]c2cc(Cl)ccc12)c1ccc(-c2nn[n-]n2)cc1 ZINC000736115286 598401057 /nfs/dbraw/zinc/40/10/57/598401057.db2.gz GXONWRHCGOWEEV-SNVBAGLBSA-N -1 3 366.812 3.492 20 0 FGADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)c1cc(C)ccc1F ZINC000737025789 598417298 /nfs/dbraw/zinc/41/72/98/598417298.db2.gz NCKOIUQQLYDXBK-UHFFFAOYSA-N -1 3 362.748 3.195 20 0 FGADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)c1cc(C)ccc1F ZINC000737025789 598417299 /nfs/dbraw/zinc/41/72/99/598417299.db2.gz NCKOIUQQLYDXBK-UHFFFAOYSA-N -1 3 362.748 3.195 20 0 FGADHM CN(Cc1ccc(F)cc1Cl)C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000736819802 598422843 /nfs/dbraw/zinc/42/28/43/598422843.db2.gz PDUTYFALPMYSPZ-CLFYSBASSA-N -1 3 371.803 3.331 20 0 FGADHM CN(Cc1ccc(F)cc1Cl)C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000736819802 598422845 /nfs/dbraw/zinc/42/28/45/598422845.db2.gz PDUTYFALPMYSPZ-CLFYSBASSA-N -1 3 371.803 3.331 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CCc2ccc(F)cc2C1 ZINC000823303848 607354757 /nfs/dbraw/zinc/35/47/57/607354757.db2.gz XBTPGJNUMFVBGK-UHFFFAOYSA-N -1 3 372.791 3.249 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CCc2ccc(F)cc2C1 ZINC000823303848 607354758 /nfs/dbraw/zinc/35/47/58/607354758.db2.gz XBTPGJNUMFVBGK-UHFFFAOYSA-N -1 3 372.791 3.249 20 0 FGADHM C[C@@H](NC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C)c1ccccc1 ZINC000736114263 598428821 /nfs/dbraw/zinc/42/88/21/598428821.db2.gz AAZJBNCUNQIRJL-GFCCVEGCSA-N -1 3 353.430 3.306 20 0 FGADHM C[C@@H](NC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C)c1ccccc1 ZINC000736114263 598428822 /nfs/dbraw/zinc/42/88/22/598428822.db2.gz AAZJBNCUNQIRJL-GFCCVEGCSA-N -1 3 353.430 3.306 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H](C)c1cc(C)cc(C)c1 ZINC000737064182 598431923 /nfs/dbraw/zinc/43/19/23/598431923.db2.gz VSBRPHRCZYMKCP-ZDUSSCGKSA-N -1 3 366.425 3.375 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@H](C)c1cc(C)cc(C)c1 ZINC000737064182 598431924 /nfs/dbraw/zinc/43/19/24/598431924.db2.gz VSBRPHRCZYMKCP-ZDUSSCGKSA-N -1 3 366.425 3.375 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)OCc1cnc2ccccc2c1 ZINC000737796932 598433453 /nfs/dbraw/zinc/43/34/53/598433453.db2.gz CMBKLZJJYNNFAJ-KTKRTIGZSA-N -1 3 357.373 3.172 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)OCc1cnc2ccccc2c1 ZINC000737796932 598433455 /nfs/dbraw/zinc/43/34/55/598433455.db2.gz CMBKLZJJYNNFAJ-KTKRTIGZSA-N -1 3 357.373 3.172 20 0 FGADHM O=C(Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1)C1=COCCC1 ZINC000738175568 598449287 /nfs/dbraw/zinc/44/92/87/598449287.db2.gz PBJAYEVUYGWOTC-UHFFFAOYSA-N -1 3 363.377 3.292 20 0 FGADHM O=C(Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1)C1=COCCC1 ZINC000738175568 598449289 /nfs/dbraw/zinc/44/92/89/598449289.db2.gz PBJAYEVUYGWOTC-UHFFFAOYSA-N -1 3 363.377 3.292 20 0 FGADHM CN(Cc1ccccc1-c1ccccc1)C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000736827445 598451419 /nfs/dbraw/zinc/45/14/19/598451419.db2.gz DEWOFOUHQZFNBW-UHFFFAOYSA-N -1 3 370.416 3.201 20 0 FGADHM CN(Cc1ccccc1-c1ccccc1)C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000736827445 598451421 /nfs/dbraw/zinc/45/14/21/598451421.db2.gz DEWOFOUHQZFNBW-UHFFFAOYSA-N -1 3 370.416 3.201 20 0 FGADHM CCn1c(CN(C)Cc2ccc(-c3nnn[n-]3)cc2)nc2cc(F)ccc21 ZINC000736720200 598460424 /nfs/dbraw/zinc/46/04/24/598460424.db2.gz MFHBEHKRHYHUBY-UHFFFAOYSA-N -1 3 365.416 3.007 20 0 FGADHM CCn1c(CN(C)Cc2ccc(-c3nn[n-]n3)cc2)nc2cc(F)ccc21 ZINC000736720200 598460425 /nfs/dbraw/zinc/46/04/25/598460425.db2.gz MFHBEHKRHYHUBY-UHFFFAOYSA-N -1 3 365.416 3.007 20 0 FGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccc2[nH]ccc2c1 ZINC000735875147 598461317 /nfs/dbraw/zinc/46/13/17/598461317.db2.gz ZOOPOOZXRIQSQM-UHFFFAOYSA-N -1 3 360.421 3.399 20 0 FGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccc2[nH]ccc2c1 ZINC000735875147 598461319 /nfs/dbraw/zinc/46/13/19/598461319.db2.gz ZOOPOOZXRIQSQM-UHFFFAOYSA-N -1 3 360.421 3.399 20 0 FGADHM CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000736390708 598461395 /nfs/dbraw/zinc/46/13/95/598461395.db2.gz JKKUQIVUYNNICI-FUHWJXTLSA-N -1 3 362.437 3.060 20 0 FGADHM CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000736390708 598461397 /nfs/dbraw/zinc/46/13/97/598461397.db2.gz JKKUQIVUYNNICI-FUHWJXTLSA-N -1 3 362.437 3.060 20 0 FGADHM Fc1ccc([C@@H]2CN(Cc3ccccc3-c3nnn[n-]3)CCO2)cc1Cl ZINC000737652423 598461563 /nfs/dbraw/zinc/46/15/63/598461563.db2.gz XKRHWLLVUYENJP-KRWDZBQOSA-N -1 3 373.819 3.233 20 0 FGADHM Fc1ccc([C@@H]2CN(Cc3ccccc3-c3nn[n-]n3)CCO2)cc1Cl ZINC000737652423 598461565 /nfs/dbraw/zinc/46/15/65/598461565.db2.gz XKRHWLLVUYENJP-KRWDZBQOSA-N -1 3 373.819 3.233 20 0 FGADHM Clc1ccccc1-c1noc(COc2cccc(-c3nnn[n-]3)c2)n1 ZINC000737582579 598465704 /nfs/dbraw/zinc/46/57/04/598465704.db2.gz DTEUOGUFTIXCSL-UHFFFAOYSA-N -1 3 354.757 3.149 20 0 FGADHM Clc1ccccc1-c1noc(COc2cccc(-c3nn[n-]n3)c2)n1 ZINC000737582579 598465705 /nfs/dbraw/zinc/46/57/05/598465705.db2.gz DTEUOGUFTIXCSL-UHFFFAOYSA-N -1 3 354.757 3.149 20 0 FGADHM Clc1cc(-c2nnn[n-]2)cnc1NCCCc1c[nH]c2ccccc12 ZINC000737558224 598467620 /nfs/dbraw/zinc/46/76/20/598467620.db2.gz LZBOUHSNASYBKM-UHFFFAOYSA-N -1 3 353.817 3.441 20 0 FGADHM Clc1cc(-c2nn[n-]n2)cnc1NCCCc1c[nH]c2ccccc12 ZINC000737558224 598467622 /nfs/dbraw/zinc/46/76/22/598467622.db2.gz LZBOUHSNASYBKM-UHFFFAOYSA-N -1 3 353.817 3.441 20 0 FGADHM C[C@@H]1CCC[C@H](NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)[C@@H]1C ZINC000736257153 598475630 /nfs/dbraw/zinc/47/56/30/598475630.db2.gz BWDVBAGRMDSBFB-LBTNJELSSA-N -1 3 368.485 3.365 20 0 FGADHM C[C@@H]1CCC[C@H](NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)[C@@H]1C ZINC000736257153 598475631 /nfs/dbraw/zinc/47/56/31/598475631.db2.gz BWDVBAGRMDSBFB-LBTNJELSSA-N -1 3 368.485 3.365 20 0 FGADHM C[C@H](Oc1ccc(F)c(F)c1)C(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000736179104 598484765 /nfs/dbraw/zinc/48/47/65/598484765.db2.gz ZALCIAILGLUTQV-QWRGUYRKSA-N -1 3 374.347 3.217 20 0 FGADHM C[C@H](Oc1ccc(F)c(F)c1)C(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000736179104 598484767 /nfs/dbraw/zinc/48/47/67/598484767.db2.gz ZALCIAILGLUTQV-QWRGUYRKSA-N -1 3 374.347 3.217 20 0 FGADHM C[C@@H](Cc1ccc(F)cc1)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736057195 598488013 /nfs/dbraw/zinc/48/80/13/598488013.db2.gz VFLWGPDUKBKJDL-LBPRGKRZSA-N -1 3 370.432 3.380 20 0 FGADHM C[C@@H](Cc1ccc(F)cc1)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736057195 598488014 /nfs/dbraw/zinc/48/80/14/598488014.db2.gz VFLWGPDUKBKJDL-LBPRGKRZSA-N -1 3 370.432 3.380 20 0 FGADHM Oc1ccc(CN(Cc2ccco2)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000738400456 598510572 /nfs/dbraw/zinc/51/05/72/598510572.db2.gz HZPGVMZFLZTERC-UHFFFAOYSA-N -1 3 361.405 3.368 20 0 FGADHM CCc1nc(C)c(C(=O)Nc2sc(C)c(CC)c2-c2nnn[n-]2)s1 ZINC000736700105 598516099 /nfs/dbraw/zinc/51/60/99/598516099.db2.gz QSCHXTHURXOZHX-UHFFFAOYSA-N -1 3 362.484 3.379 20 0 FGADHM CCc1nc(C)c(C(=O)Nc2sc(C)c(CC)c2-c2nn[n-]n2)s1 ZINC000736700105 598516100 /nfs/dbraw/zinc/51/61/00/598516100.db2.gz QSCHXTHURXOZHX-UHFFFAOYSA-N -1 3 362.484 3.379 20 0 FGADHM CCc1c(C)sc(NC(=O)Cc2ccc(C)c(OC)c2)c1-c1nnn[n-]1 ZINC000736675749 598517316 /nfs/dbraw/zinc/51/73/16/598517316.db2.gz LURBVQQUYQXCRB-UHFFFAOYSA-N -1 3 371.466 3.297 20 0 FGADHM CCc1c(C)sc(NC(=O)Cc2ccc(C)c(OC)c2)c1-c1nn[n-]n1 ZINC000736675749 598517317 /nfs/dbraw/zinc/51/73/17/598517317.db2.gz LURBVQQUYQXCRB-UHFFFAOYSA-N -1 3 371.466 3.297 20 0 FGADHM O=C(OCc1cc(-c2nn[n-]n2)ccc1F)c1c[nH]nc1C1CCCCC1 ZINC000738236669 598532069 /nfs/dbraw/zinc/53/20/69/598532069.db2.gz ONJNLLJASJOGEL-UHFFFAOYSA-N -1 3 370.388 3.134 20 0 FGADHM Cc1cc(Oc2ccc(-c3nnn[n-]3)cc2)ccc1NC(=O)N[C@@H]1C[C@H]1C ZINC000737278614 598533201 /nfs/dbraw/zinc/53/32/01/598533201.db2.gz BXRGWKSIDFULLB-SJKOYZFVSA-N -1 3 364.409 3.497 20 0 FGADHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1NC(=O)N[C@@H]1C[C@H]1C ZINC000737278614 598533203 /nfs/dbraw/zinc/53/32/03/598533203.db2.gz BXRGWKSIDFULLB-SJKOYZFVSA-N -1 3 364.409 3.497 20 0 FGADHM C[C@@H]1C[C@@H]1NC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736237445 598534195 /nfs/dbraw/zinc/53/41/95/598534195.db2.gz OZLBARLIBMTWKZ-BZNIZROVSA-N -1 3 350.382 3.189 20 0 FGADHM C[C@@H]1C[C@@H]1NC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736237445 598534196 /nfs/dbraw/zinc/53/41/96/598534196.db2.gz OZLBARLIBMTWKZ-BZNIZROVSA-N -1 3 350.382 3.189 20 0 FGADHM C[C@@H](NC(=O)CCc1ccc(-c2nnn[n-]2)cc1)C(C)(C)c1ccccc1 ZINC000736104342 598541900 /nfs/dbraw/zinc/54/19/00/598541900.db2.gz FBTQQJNAXANHJZ-OAHLLOKOSA-N -1 3 363.465 3.282 20 0 FGADHM C[C@@H](NC(=O)CCc1ccc(-c2nn[n-]n2)cc1)C(C)(C)c1ccccc1 ZINC000736104342 598541901 /nfs/dbraw/zinc/54/19/01/598541901.db2.gz FBTQQJNAXANHJZ-OAHLLOKOSA-N -1 3 363.465 3.282 20 0 FGADHM Cc1ccc(CC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)s1 ZINC000737331656 598545332 /nfs/dbraw/zinc/54/53/32/598545332.db2.gz YHRJZAMDXCCJHX-UHFFFAOYSA-N -1 3 365.365 3.019 20 0 FGADHM Cc1ccc(CC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)s1 ZINC000737331656 598545333 /nfs/dbraw/zinc/54/53/33/598545333.db2.gz YHRJZAMDXCCJHX-UHFFFAOYSA-N -1 3 365.365 3.019 20 0 FGADHM O=Cc1c[nH]nc1C=Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000738314567 598546661 /nfs/dbraw/zinc/54/66/61/598546661.db2.gz VGHPBRZCNHTECB-HJWRWDBZSA-N -1 3 372.388 3.152 20 0 FGADHM O=Cc1c[nH]nc1C=Cc1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000738314567 598546662 /nfs/dbraw/zinc/54/66/62/598546662.db2.gz VGHPBRZCNHTECB-HJWRWDBZSA-N -1 3 372.388 3.152 20 0 FGADHM Cc1nc(C)c(-c2nnn[n-]2)c(SC[C@H]2CCCc3ccccc32)n1 ZINC000737471852 598546989 /nfs/dbraw/zinc/54/69/89/598546989.db2.gz VDQIJTWZEHCVLB-CQSZACIVSA-N -1 3 352.467 3.486 20 0 FGADHM Cc1nc(C)c(-c2nn[n-]n2)c(SC[C@H]2CCCc3ccccc32)n1 ZINC000737471852 598546991 /nfs/dbraw/zinc/54/69/91/598546991.db2.gz VDQIJTWZEHCVLB-CQSZACIVSA-N -1 3 352.467 3.486 20 0 FGADHM Fc1ccc(-c2cc(COc3ccc(-c4nnn[n-]4)c(F)c3)on2)cc1 ZINC000737648581 598550370 /nfs/dbraw/zinc/55/03/70/598550370.db2.gz AZSPQGGYLYHRHX-UHFFFAOYSA-N -1 3 355.304 3.379 20 0 FGADHM Fc1ccc(-c2cc(COc3ccc(-c4nn[n-]n4)c(F)c3)on2)cc1 ZINC000737648581 598550371 /nfs/dbraw/zinc/55/03/71/598550371.db2.gz AZSPQGGYLYHRHX-UHFFFAOYSA-N -1 3 355.304 3.379 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1cc(-c2ccccc2)nc2ncnn21 ZINC000737222348 598551294 /nfs/dbraw/zinc/55/12/94/598551294.db2.gz YLDQHYXVSNWIPJ-UHFFFAOYSA-N -1 3 370.376 3.072 20 0 FGADHM CC(C)COc1ccccc1C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000735844063 598551676 /nfs/dbraw/zinc/55/16/76/598551676.db2.gz GNGIDCMIDYSRCH-CQSZACIVSA-N -1 3 365.437 3.393 20 0 FGADHM CC(C)COc1ccccc1C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000735844063 598551677 /nfs/dbraw/zinc/55/16/77/598551677.db2.gz GNGIDCMIDYSRCH-CQSZACIVSA-N -1 3 365.437 3.393 20 0 FGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1)c1ccccc1Oc1cccnc1 ZINC000738233202 598557967 /nfs/dbraw/zinc/55/79/67/598557967.db2.gz QYCKDMIAHGPKNE-UHFFFAOYSA-N -1 3 373.372 3.411 20 0 FGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1)c1ccccc1Oc1cccnc1 ZINC000738233202 598557968 /nfs/dbraw/zinc/55/79/68/598557968.db2.gz QYCKDMIAHGPKNE-UHFFFAOYSA-N -1 3 373.372 3.411 20 0 FGADHM CC[C@@H]1CCCN(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)C1 ZINC000736400701 598562216 /nfs/dbraw/zinc/56/22/16/598562216.db2.gz AGSPBDHBWZONQE-SNVBAGLBSA-N -1 3 366.372 3.122 20 0 FGADHM CC[C@@H]1CCCN(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)C1 ZINC000736400701 598562219 /nfs/dbraw/zinc/56/22/19/598562219.db2.gz AGSPBDHBWZONQE-SNVBAGLBSA-N -1 3 366.372 3.122 20 0 FGADHM CCC1CCN(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)CC1 ZINC000736403784 598562302 /nfs/dbraw/zinc/56/23/02/598562302.db2.gz XBJJKJULZAFKDP-UHFFFAOYSA-N -1 3 366.372 3.122 20 0 FGADHM CCC1CCN(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)CC1 ZINC000736403784 598562304 /nfs/dbraw/zinc/56/23/04/598562304.db2.gz XBJJKJULZAFKDP-UHFFFAOYSA-N -1 3 366.372 3.122 20 0 FGADHM O=C(Nc1ccccc1Cl)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738190409 598571246 /nfs/dbraw/zinc/57/12/46/598571246.db2.gz MMSCPZRHZPAOGJ-INIZCTEOSA-N -1 3 368.828 3.128 20 0 FGADHM CCCN(CC)c1ccc(C(=O)Nc2ccccc2-c2nnn[n-]2)cc1 ZINC000736472408 598571903 /nfs/dbraw/zinc/57/19/03/598571903.db2.gz WDXLWXAZZFXWJS-UHFFFAOYSA-N -1 3 350.426 3.355 20 0 FGADHM CCCN(CC)c1ccc(C(=O)Nc2ccccc2-c2nn[n-]n2)cc1 ZINC000736472408 598571904 /nfs/dbraw/zinc/57/19/04/598571904.db2.gz WDXLWXAZZFXWJS-UHFFFAOYSA-N -1 3 350.426 3.355 20 0 FGADHM Cc1ccn2cc(CNc3ccc(-c4nnn[n-]4)c(C(F)(F)F)c3)nc2c1 ZINC000737435738 598576163 /nfs/dbraw/zinc/57/61/63/598576163.db2.gz IHFUCTBGGDMSQK-UHFFFAOYSA-N -1 3 373.342 3.454 20 0 FGADHM Cc1ccn2cc(CNc3ccc(-c4nn[n-]n4)c(C(F)(F)F)c3)nc2c1 ZINC000737435738 598576164 /nfs/dbraw/zinc/57/61/64/598576164.db2.gz IHFUCTBGGDMSQK-UHFFFAOYSA-N -1 3 373.342 3.454 20 0 FGADHM Clc1cccc(Cc2noc(COc3ccc(-c4nn[n-]n4)cc3)n2)c1 ZINC000737573187 598582268 /nfs/dbraw/zinc/58/22/68/598582268.db2.gz AHSJCSXTOGZSRA-UHFFFAOYSA-N -1 3 368.784 3.073 20 0 FGADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)[C@H]1CCOc2ccccc21 ZINC000738163871 598582812 /nfs/dbraw/zinc/58/28/12/598582812.db2.gz QREJZUQNOYVUTB-LBPRGKRZSA-N -1 3 355.785 3.025 20 0 FGADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)[C@H]1CCOc2ccccc21 ZINC000738163871 598582814 /nfs/dbraw/zinc/58/28/14/598582814.db2.gz QREJZUQNOYVUTB-LBPRGKRZSA-N -1 3 355.785 3.025 20 0 FGADHM CCn1cc(CC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c2ccccc21 ZINC000736721382 598583162 /nfs/dbraw/zinc/58/31/62/598583162.db2.gz FQYWOGXEHCRLAE-UHFFFAOYSA-N -1 3 364.384 3.162 20 0 FGADHM CCn1cc(CC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c2ccccc21 ZINC000736721382 598583164 /nfs/dbraw/zinc/58/31/64/598583164.db2.gz FQYWOGXEHCRLAE-UHFFFAOYSA-N -1 3 364.384 3.162 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(Cl)c2cccnc12 ZINC000738166541 598586722 /nfs/dbraw/zinc/58/67/22/598586722.db2.gz KBDPCNFQCCUZIF-UHFFFAOYSA-N -1 3 368.759 3.460 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(Cl)c2cccnc12 ZINC000738166541 598586724 /nfs/dbraw/zinc/58/67/24/598586724.db2.gz KBDPCNFQCCUZIF-UHFFFAOYSA-N -1 3 368.759 3.460 20 0 FGADHM C[C@H]1C[C@H]1c1ccc(CCC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)o1 ZINC000736242115 598587163 /nfs/dbraw/zinc/58/71/63/598587163.db2.gz ZDXHRUBBVLKLJE-GXFFZTMASA-N -1 3 355.373 3.294 20 0 FGADHM C[C@H]1C[C@H]1c1ccc(CCC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)o1 ZINC000736242115 598587164 /nfs/dbraw/zinc/58/71/64/598587164.db2.gz ZDXHRUBBVLKLJE-GXFFZTMASA-N -1 3 355.373 3.294 20 0 FGADHM COc1ccc(SCCC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000737115775 598587673 /nfs/dbraw/zinc/58/76/73/598587673.db2.gz OPUKTNVTFZRUPN-UHFFFAOYSA-N -1 3 373.413 3.135 20 0 FGADHM COc1ccc(SCCC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000737115775 598587674 /nfs/dbraw/zinc/58/76/74/598587674.db2.gz OPUKTNVTFZRUPN-UHFFFAOYSA-N -1 3 373.413 3.135 20 0 FGADHM Cc1ccc(C)c(OCCC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000737325733 598591005 /nfs/dbraw/zinc/59/10/05/598591005.db2.gz HFFVXHWJBBZSLM-UHFFFAOYSA-N -1 3 355.373 3.030 20 0 FGADHM Cc1ccc(C)c(OCCC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000737325733 598591007 /nfs/dbraw/zinc/59/10/07/598591007.db2.gz HFFVXHWJBBZSLM-UHFFFAOYSA-N -1 3 355.373 3.030 20 0 FGADHM CCc1cc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)nc(-c2ccccn2)n1 ZINC000736676266 598592148 /nfs/dbraw/zinc/59/21/48/598592148.db2.gz CXIQPVVAIDOZCR-ZDUSSCGKSA-N -1 3 372.436 3.454 20 0 FGADHM CCc1cc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)nc(-c2ccccn2)n1 ZINC000736676266 598592150 /nfs/dbraw/zinc/59/21/50/598592150.db2.gz CXIQPVVAIDOZCR-ZDUSSCGKSA-N -1 3 372.436 3.454 20 0 FGADHM O=C(CCC(=O)c1ccc(Cl)cc1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737819527 598599355 /nfs/dbraw/zinc/59/93/55/598599355.db2.gz CYUCEPJRMLFDST-UHFFFAOYSA-N -1 3 373.775 3.261 20 0 FGADHM O=C(CCC(=O)c1ccc(Cl)cc1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737819527 598599356 /nfs/dbraw/zinc/59/93/56/598599356.db2.gz CYUCEPJRMLFDST-UHFFFAOYSA-N -1 3 373.775 3.261 20 0 FGADHM CSCc1cccc(NC(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737188121 598601236 /nfs/dbraw/zinc/60/12/36/598601236.db2.gz ZIYVQWHZVNUFSF-UHFFFAOYSA-N -1 3 368.466 3.394 20 0 FGADHM CSCc1cccc(NC(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737188121 598601238 /nfs/dbraw/zinc/60/12/38/598601238.db2.gz ZIYVQWHZVNUFSF-UHFFFAOYSA-N -1 3 368.466 3.394 20 0 FGADHM CC(C)(C)c1noc(-c2ccc(COc3ccccc3-c3nnn[n-]3)o2)n1 ZINC000735655324 598609692 /nfs/dbraw/zinc/60/96/92/598609692.db2.gz MWVHOWPLUQRBTH-UHFFFAOYSA-N -1 3 366.381 3.386 20 0 FGADHM CC(C)(C)c1noc(-c2ccc(COc3ccccc3-c3nn[n-]n3)o2)n1 ZINC000735655324 598609694 /nfs/dbraw/zinc/60/96/94/598609694.db2.gz MWVHOWPLUQRBTH-UHFFFAOYSA-N -1 3 366.381 3.386 20 0 FGADHM Fc1cccc(N2CCC[C@H]2c2ccc3c(c2)OCO3)c1-c1nnn[n-]1 ZINC000737659948 598613452 /nfs/dbraw/zinc/61/34/52/598613452.db2.gz GMJCZNNJKGAOMH-ZDUSSCGKSA-N -1 3 353.357 3.076 20 0 FGADHM Fc1cccc(N2CCC[C@H]2c2ccc3c(c2)OCO3)c1-c1nn[n-]n1 ZINC000737659948 598613454 /nfs/dbraw/zinc/61/34/54/598613454.db2.gz GMJCZNNJKGAOMH-ZDUSSCGKSA-N -1 3 353.357 3.076 20 0 FGADHM C[C@H](NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(F)c(F)c1 ZINC000736119496 598624326 /nfs/dbraw/zinc/62/43/26/598624326.db2.gz ZIECTIAPTPNVSA-QMMMGPOBSA-N -1 3 362.315 3.167 20 0 FGADHM C[C@H](NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(F)c(F)c1 ZINC000736119496 598624327 /nfs/dbraw/zinc/62/43/27/598624327.db2.gz ZIECTIAPTPNVSA-QMMMGPOBSA-N -1 3 362.315 3.167 20 0 FGADHM CN(CCCCc1ccccc1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736791252 598629320 /nfs/dbraw/zinc/62/93/20/598629320.db2.gz BVTSPUMVZQBOFP-UHFFFAOYSA-N -1 3 368.416 3.492 20 0 FGADHM CN(CCCCc1ccccc1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736791252 598629322 /nfs/dbraw/zinc/62/93/22/598629322.db2.gz BVTSPUMVZQBOFP-UHFFFAOYSA-N -1 3 368.416 3.492 20 0 FGADHM COc1ccc([C@H](C)NC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1F ZINC000737073470 598632495 /nfs/dbraw/zinc/63/24/95/598632495.db2.gz RQEOHYFDWGNDPL-VIFPVBQESA-N -1 3 374.351 3.036 20 0 FGADHM COc1ccc([C@H](C)NC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1F ZINC000737073470 598632496 /nfs/dbraw/zinc/63/24/96/598632496.db2.gz RQEOHYFDWGNDPL-VIFPVBQESA-N -1 3 374.351 3.036 20 0 FGADHM Clc1cccc(-c2nnn[n-]2)c1NCc1ccc(Cn2cccn2)cc1 ZINC000737573914 598633470 /nfs/dbraw/zinc/63/34/70/598633470.db2.gz GUJCKQSMIKKXPZ-UHFFFAOYSA-N -1 3 365.828 3.377 20 0 FGADHM Clc1cccc(-c2nn[n-]n2)c1NCc1ccc(Cn2cccn2)cc1 ZINC000737573914 598633472 /nfs/dbraw/zinc/63/34/72/598633472.db2.gz GUJCKQSMIKKXPZ-UHFFFAOYSA-N -1 3 365.828 3.377 20 0 FGADHM Cc1nccn1-c1ccc(CNc2ccc(F)cc2-c2nnn[n-]2)cc1F ZINC000737503326 598634744 /nfs/dbraw/zinc/63/47/44/598634744.db2.gz UIJVYXUDQCGLOD-UHFFFAOYSA-N -1 3 367.363 3.251 20 0 FGADHM Cc1nccn1-c1ccc(CNc2ccc(F)cc2-c2nn[n-]n2)cc1F ZINC000737503326 598634745 /nfs/dbraw/zinc/63/47/45/598634745.db2.gz UIJVYXUDQCGLOD-UHFFFAOYSA-N -1 3 367.363 3.251 20 0 FGADHM Fc1ccc(CSc2nnc(Cc3cccs3)o2)c(-c2nnn[n-]2)c1 ZINC000737647447 598646349 /nfs/dbraw/zinc/64/63/49/598646349.db2.gz DWEPKMYNSJBQNK-UHFFFAOYSA-N -1 3 374.426 3.333 20 0 FGADHM Fc1ccc(CSc2nnc(Cc3cccs3)o2)c(-c2nn[n-]n2)c1 ZINC000737647447 598646351 /nfs/dbraw/zinc/64/63/51/598646351.db2.gz DWEPKMYNSJBQNK-UHFFFAOYSA-N -1 3 374.426 3.333 20 0 FGADHM C[C@@H]1CCC[C@@H](NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)[C@@H]1C ZINC000736251563 598647736 /nfs/dbraw/zinc/64/77/36/598647736.db2.gz JLVRJTZILRFPSD-IIDMSEBBSA-N -1 3 371.485 3.357 20 0 FGADHM C[C@@H]1CCC[C@@H](NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)[C@@H]1C ZINC000736251563 598647739 /nfs/dbraw/zinc/64/77/39/598647739.db2.gz JLVRJTZILRFPSD-IIDMSEBBSA-N -1 3 371.485 3.357 20 0 FGADHM C[C@@H](N(C)C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)C(C)(C)C ZINC000736095164 598649919 /nfs/dbraw/zinc/64/99/19/598649919.db2.gz CCAQPIAIABQKIF-CQSZACIVSA-N -1 3 359.474 3.309 20 0 FGADHM C[C@@H](N(C)C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)C(C)(C)C ZINC000736095164 598649920 /nfs/dbraw/zinc/64/99/20/598649920.db2.gz CCAQPIAIABQKIF-CQSZACIVSA-N -1 3 359.474 3.309 20 0 FGADHM CC(C)[C@H](C)N(C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000735700992 598651117 /nfs/dbraw/zinc/65/11/17/598651117.db2.gz ISVULVSDTXJPCC-HNNXBMFYSA-N -1 3 371.485 3.451 20 0 FGADHM CC(C)[C@H](C)N(C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000735700992 598651118 /nfs/dbraw/zinc/65/11/18/598651118.db2.gz ISVULVSDTXJPCC-HNNXBMFYSA-N -1 3 371.485 3.451 20 0 FGADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)CC[C@H]1CCCCO1 ZINC000735832326 598651159 /nfs/dbraw/zinc/65/11/59/598651159.db2.gz ZQVOHAIQRQDWMC-GOSISDBHSA-N -1 3 371.485 3.201 20 0 FGADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)CC[C@H]1CCCCO1 ZINC000735832326 598651160 /nfs/dbraw/zinc/65/11/60/598651160.db2.gz ZQVOHAIQRQDWMC-GOSISDBHSA-N -1 3 371.485 3.201 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(-c2ccccc2)[nH]1 ZINC000737063406 598656449 /nfs/dbraw/zinc/65/64/49/598656449.db2.gz YEWYMTPXLUPNKC-UHFFFAOYSA-N -1 3 360.377 3.123 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cn1)c1ccccc1SC(F)(F)F ZINC000738149256 598662324 /nfs/dbraw/zinc/66/23/24/598662324.db2.gz DTJDQUOVSAQFQL-UHFFFAOYSA-N -1 3 366.328 3.126 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cn1)c1ccccc1SC(F)(F)F ZINC000738149256 598662326 /nfs/dbraw/zinc/66/23/26/598662326.db2.gz DTJDQUOVSAQFQL-UHFFFAOYSA-N -1 3 366.328 3.126 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cn1)[C@@H]1C[C@@H]1c1cccc2ccccc21 ZINC000738152321 598663387 /nfs/dbraw/zinc/66/33/87/598663387.db2.gz USZPWIPIIFAKSZ-IAGOWNOFSA-N -1 3 356.389 3.157 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cn1)[C@@H]1C[C@@H]1c1cccc2ccccc21 ZINC000738152321 598663389 /nfs/dbraw/zinc/66/33/89/598663389.db2.gz USZPWIPIIFAKSZ-IAGOWNOFSA-N -1 3 356.389 3.157 20 0 FGADHM COC(=O)CSCc1cccc(Nc2cccc(F)c2-c2nnn[n-]2)c1 ZINC000736929997 598674265 /nfs/dbraw/zinc/67/42/65/598674265.db2.gz CTBUOHWOCRDVCK-UHFFFAOYSA-N -1 3 373.413 3.156 20 0 FGADHM COC(=O)CSCc1cccc(Nc2cccc(F)c2-c2nn[n-]n2)c1 ZINC000736929997 598674267 /nfs/dbraw/zinc/67/42/67/598674267.db2.gz CTBUOHWOCRDVCK-UHFFFAOYSA-N -1 3 373.413 3.156 20 0 FGADHM Cc1cc(NCC(=O)Nc2cc(Cl)ccc2-c2nnn[n-]2)ccc1F ZINC000737275457 598676936 /nfs/dbraw/zinc/67/69/36/598676936.db2.gz VSJGRAJHLIHXMA-UHFFFAOYSA-N -1 3 360.780 3.018 20 0 FGADHM Cc1cc(NCC(=O)Nc2cc(Cl)ccc2-c2nn[n-]n2)ccc1F ZINC000737275457 598676938 /nfs/dbraw/zinc/67/69/38/598676938.db2.gz VSJGRAJHLIHXMA-UHFFFAOYSA-N -1 3 360.780 3.018 20 0 FGADHM Cc1oc(NC(=O)[C@@H](C)N2C[C@@H](C)c3ccccc32)c(-c2nnn[n-]2)c1C ZINC000822540990 607364366 /nfs/dbraw/zinc/36/43/66/607364366.db2.gz JPNSBFIGMMRWPU-ZYHUDNBSSA-N -1 3 366.425 3.027 20 0 FGADHM CC(C)(CNC(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1 ZINC000735670061 598697554 /nfs/dbraw/zinc/69/75/54/598697554.db2.gz BHEKKHNSGGCMEI-UHFFFAOYSA-N -1 3 354.389 3.105 20 0 FGADHM CC(C)(CNC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1 ZINC000735670061 598697556 /nfs/dbraw/zinc/69/75/56/598697556.db2.gz BHEKKHNSGGCMEI-UHFFFAOYSA-N -1 3 354.389 3.105 20 0 FGADHM O=C1CCCN1c1ccc(Cl)c(NCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000738303066 598701158 /nfs/dbraw/zinc/70/11/58/598701158.db2.gz AQNWIUGNWPQIBQ-UHFFFAOYSA-N -1 3 368.828 3.259 20 0 FGADHM O=C1CCCN1c1ccc(Cl)c(NCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738303066 598701159 /nfs/dbraw/zinc/70/11/59/598701159.db2.gz AQNWIUGNWPQIBQ-UHFFFAOYSA-N -1 3 368.828 3.259 20 0 FGADHM Cc1cc(C(=O)OCc2ccc(F)cc2-c2nnn[n-]2)c2ccccc2n1 ZINC000737242364 598701765 /nfs/dbraw/zinc/70/17/65/598701765.db2.gz OBCHEMXBGDADKM-UHFFFAOYSA-N -1 3 363.352 3.219 20 0 FGADHM Cc1cc(C(=O)OCc2ccc(F)cc2-c2nn[n-]n2)c2ccccc2n1 ZINC000737242364 598701767 /nfs/dbraw/zinc/70/17/67/598701767.db2.gz OBCHEMXBGDADKM-UHFFFAOYSA-N -1 3 363.352 3.219 20 0 FGADHM CC(C)(C)c1ncc(C(=O)OCc2ccc(F)cc2-c2nnn[n-]2)s1 ZINC000735655452 598708965 /nfs/dbraw/zinc/70/89/65/598708965.db2.gz PJHIAPKXRKPJNG-UHFFFAOYSA-N -1 3 361.402 3.117 20 0 FGADHM CC(C)(C)c1ncc(C(=O)OCc2ccc(F)cc2-c2nn[n-]n2)s1 ZINC000735655452 598708966 /nfs/dbraw/zinc/70/89/66/598708966.db2.gz PJHIAPKXRKPJNG-UHFFFAOYSA-N -1 3 361.402 3.117 20 0 FGADHM COc1ccccc1C(C)(C)NC(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000737139465 598717135 /nfs/dbraw/zinc/71/71/35/598717135.db2.gz WCHWSWYRHLSLET-UHFFFAOYSA-N -1 3 366.425 3.241 20 0 FGADHM COc1ccccc1C(C)(C)NC(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000737139465 598717137 /nfs/dbraw/zinc/71/71/37/598717137.db2.gz WCHWSWYRHLSLET-UHFFFAOYSA-N -1 3 366.425 3.241 20 0 FGADHM CC(C)(CNC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC000735671002 598717696 /nfs/dbraw/zinc/71/76/96/598717696.db2.gz ZJOMECFXMRSUGL-UHFFFAOYSA-N -1 3 372.379 3.244 20 0 FGADHM CC(C)(CNC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC000735671002 598717698 /nfs/dbraw/zinc/71/76/98/598717698.db2.gz ZJOMECFXMRSUGL-UHFFFAOYSA-N -1 3 372.379 3.244 20 0 FGADHM C[C@@H]1Cc2ccccc2[C@H]1NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736295917 598729947 /nfs/dbraw/zinc/72/99/47/598729947.db2.gz BWBMXWMSEABONO-HWPZZCPQSA-N -1 3 352.373 3.061 20 0 FGADHM C[C@@H]1Cc2ccccc2[C@H]1NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736295917 598729949 /nfs/dbraw/zinc/72/99/49/598729949.db2.gz BWBMXWMSEABONO-HWPZZCPQSA-N -1 3 352.373 3.061 20 0 FGADHM Cc1cc(CN(C)c2c(-c3nnn[n-]3)cnc3c(F)ccc(Cl)c32)no1 ZINC000737263220 598743685 /nfs/dbraw/zinc/74/36/85/598743685.db2.gz QNVDWKPMHOBKJI-UHFFFAOYSA-N -1 3 373.779 3.140 20 0 FGADHM Cc1cc(CN(C)c2c(-c3nn[n-]n3)cnc3c(F)ccc(Cl)c32)no1 ZINC000737263220 598743687 /nfs/dbraw/zinc/74/36/87/598743687.db2.gz QNVDWKPMHOBKJI-UHFFFAOYSA-N -1 3 373.779 3.140 20 0 FGADHM CC(C)C[C@@H](C)CC(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735762621 598745545 /nfs/dbraw/zinc/74/55/45/598745545.db2.gz YWNHSOGSIFINOX-OAHLLOKOSA-N -1 3 371.485 3.309 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C=Cc1cnc(C)s1 ZINC000736481185 598763288 /nfs/dbraw/zinc/76/32/88/598763288.db2.gz VXQJULBXAOQVNS-CMDGGOBGSA-N -1 3 368.466 3.084 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C=Cc1cnc(C)s1 ZINC000736481185 598763289 /nfs/dbraw/zinc/76/32/89/598763289.db2.gz VXQJULBXAOQVNS-CMDGGOBGSA-N -1 3 368.466 3.084 20 0 FGADHM CSc1ccc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)o1 ZINC000737193874 598763435 /nfs/dbraw/zinc/76/34/35/598763435.db2.gz YLSOUOFDRSYNQG-UHFFFAOYSA-N -1 3 361.452 3.374 20 0 FGADHM CSc1ccc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)o1 ZINC000737193874 598763436 /nfs/dbraw/zinc/76/34/36/598763436.db2.gz YLSOUOFDRSYNQG-UHFFFAOYSA-N -1 3 361.452 3.374 20 0 FGADHM Cc1ncc(C=CC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(C)C)s1 ZINC000737489899 598763716 /nfs/dbraw/zinc/76/37/16/598763716.db2.gz NPAISLVHBVETHL-FNORWQNLSA-N -1 3 370.438 3.071 20 0 FGADHM Cc1ncc(C=CC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(C)C)s1 ZINC000737489899 598763718 /nfs/dbraw/zinc/76/37/18/598763718.db2.gz NPAISLVHBVETHL-FNORWQNLSA-N -1 3 370.438 3.071 20 0 FGADHM CC[C@@H](Cc1ccccc1)C(=O)OCc1cc(-c2nnn[n-]2)ccc1F ZINC000736353794 598779138 /nfs/dbraw/zinc/77/91/38/598779138.db2.gz YKNBFJQYJWVJSQ-AWEZNQCLSA-N -1 3 354.385 3.318 20 0 FGADHM CC[C@@H](Cc1ccccc1)C(=O)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000736353794 598779140 /nfs/dbraw/zinc/77/91/40/598779140.db2.gz YKNBFJQYJWVJSQ-AWEZNQCLSA-N -1 3 354.385 3.318 20 0 FGADHM Cc1cc2cc(NC(=O)N(C)Cc3ccc(-c4nnn[n-]4)cc3)ccc2[nH]1 ZINC000737285231 598782547 /nfs/dbraw/zinc/78/25/47/598782547.db2.gz PPRTUTBMCQZMPP-UHFFFAOYSA-N -1 3 361.409 3.320 20 0 FGADHM Cc1cc2cc(NC(=O)N(C)Cc3ccc(-c4nn[n-]n4)cc3)ccc2[nH]1 ZINC000737285231 598782548 /nfs/dbraw/zinc/78/25/48/598782548.db2.gz PPRTUTBMCQZMPP-UHFFFAOYSA-N -1 3 361.409 3.320 20 0 FGADHM Cc1nn(C)c(C)c1[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737508978 598787746 /nfs/dbraw/zinc/78/77/46/598787746.db2.gz FBXBQWPPECNDNR-HNNXBMFYSA-N -1 3 357.849 3.212 20 0 FGADHM Cc1nn(C)c(C)c1[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737508978 598787748 /nfs/dbraw/zinc/78/77/48/598787748.db2.gz FBXBQWPPECNDNR-HNNXBMFYSA-N -1 3 357.849 3.212 20 0 FGADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)[C@H]1CCc2ccccc21 ZINC000738144458 598792225 /nfs/dbraw/zinc/79/22/25/598792225.db2.gz CKLIYKXTSRGGDN-ZDUSSCGKSA-N -1 3 371.347 3.137 20 0 FGADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)[C@H]1CCc2ccccc21 ZINC000738144458 598792227 /nfs/dbraw/zinc/79/22/27/598792227.db2.gz CKLIYKXTSRGGDN-ZDUSSCGKSA-N -1 3 371.347 3.137 20 0 FGADHM Cc1nc(CNc2ccc(Cl)cc2-c2nnn[n-]2)nc2ccccc12 ZINC000737478069 598796005 /nfs/dbraw/zinc/79/60/05/598796005.db2.gz PZDQNMZBICNYFV-UHFFFAOYSA-N -1 3 351.801 3.384 20 0 FGADHM Cc1nc(CNc2ccc(Cl)cc2-c2nn[n-]n2)nc2ccccc12 ZINC000737478069 598796006 /nfs/dbraw/zinc/79/60/06/598796006.db2.gz PZDQNMZBICNYFV-UHFFFAOYSA-N -1 3 351.801 3.384 20 0 FGADHM CC(C)[C@@H](c1ccccc1)N(C)C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000735736958 598801364 /nfs/dbraw/zinc/80/13/64/598801364.db2.gz XLTZORBGXQHNMW-SFHVURJKSA-N -1 3 364.453 3.405 20 0 FGADHM CC(C)[C@@H](c1ccccc1)N(C)C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000735736958 598801365 /nfs/dbraw/zinc/80/13/65/598801365.db2.gz XLTZORBGXQHNMW-SFHVURJKSA-N -1 3 364.453 3.405 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cn1)[C@H](Oc1ccccc1)c1ccccc1 ZINC000738150257 598804065 /nfs/dbraw/zinc/80/40/65/598804065.db2.gz CPWLMKJKBNYYEL-GOSISDBHSA-N -1 3 372.388 3.021 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cn1)[C@H](Oc1ccccc1)c1ccccc1 ZINC000738150257 598804066 /nfs/dbraw/zinc/80/40/66/598804066.db2.gz CPWLMKJKBNYYEL-GOSISDBHSA-N -1 3 372.388 3.021 20 0 FGADHM C[C@@H](CC(=O)Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1)CC(C)(C)C ZINC000735975813 598807497 /nfs/dbraw/zinc/80/74/97/598807497.db2.gz JJDYGMPFWDAHHO-ZDUSSCGKSA-N -1 3 367.457 3.453 20 0 FGADHM CCN(C(=O)C[C@H](C)n1cccc1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736501188 598808284 /nfs/dbraw/zinc/80/82/84/598808284.db2.gz AFHQOWNMKSLSBY-LSDHHAIUSA-N -1 3 352.442 3.229 20 0 FGADHM CCN(C(=O)C[C@H](C)n1cccc1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736501188 598808286 /nfs/dbraw/zinc/80/82/86/598808286.db2.gz AFHQOWNMKSLSBY-LSDHHAIUSA-N -1 3 352.442 3.229 20 0 FGADHM C[C@@H](NC(=O)Nc1c(F)cc(F)cc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000820374800 599296635 /nfs/dbraw/zinc/29/66/35/599296635.db2.gz QBFVLOWRLLHWCH-MRVPVSSYSA-N -1 3 362.315 3.167 20 0 FGADHM C[C@@H](NC(=O)Nc1c(F)cc(F)cc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000820374800 599296637 /nfs/dbraw/zinc/29/66/37/599296637.db2.gz QBFVLOWRLLHWCH-MRVPVSSYSA-N -1 3 362.315 3.167 20 0 FGADHM CC(C)(C)[C@@H]1OCCC[C@H]1CNc1c(F)cc(-c2nnn[n-]2)cc1F ZINC000735597954 599304675 /nfs/dbraw/zinc/30/46/75/599304675.db2.gz URVKSPABWXAVQH-ZUZCIYMTSA-N -1 3 351.401 3.398 20 0 FGADHM CC(C)(C)[C@@H]1OCCC[C@H]1CNc1c(F)cc(-c2nn[n-]n2)cc1F ZINC000735597954 599304678 /nfs/dbraw/zinc/30/46/78/599304678.db2.gz URVKSPABWXAVQH-ZUZCIYMTSA-N -1 3 351.401 3.398 20 0 FGADHM CC[C@H](C)c1ccccc1OCC(=O)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736330801 599304819 /nfs/dbraw/zinc/30/48/19/599304819.db2.gz ZETDUCAVKHVNGG-AWEZNQCLSA-N -1 3 365.437 3.422 20 0 FGADHM CC[C@H](C)c1ccccc1OCC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736330801 599304821 /nfs/dbraw/zinc/30/48/21/599304821.db2.gz ZETDUCAVKHVNGG-AWEZNQCLSA-N -1 3 365.437 3.422 20 0 FGADHM CN(C(=O)c1cc(-c2ccccc2)ns1)c1cccc(-c2nnn[n-]2)c1 ZINC000736747721 599314799 /nfs/dbraw/zinc/31/47/99/599314799.db2.gz INLDVMSFJGJZDM-UHFFFAOYSA-N -1 3 362.418 3.267 20 0 FGADHM CN(C(=O)c1cc(-c2ccccc2)ns1)c1cccc(-c2nn[n-]n2)c1 ZINC000736747721 599314802 /nfs/dbraw/zinc/31/48/02/599314802.db2.gz INLDVMSFJGJZDM-UHFFFAOYSA-N -1 3 362.418 3.267 20 0 FGADHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1NC(=O)c1ncccn1 ZINC000822212029 599316374 /nfs/dbraw/zinc/31/63/74/599316374.db2.gz ZGEPOASEDYFTIZ-UHFFFAOYSA-N -1 3 373.376 3.010 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)[C@H]1C[C@@]12CCCc1ccccc12 ZINC000823332271 599321467 /nfs/dbraw/zinc/32/14/67/599321467.db2.gz MJSPYPDVLUDZDT-OXQOHEQNSA-N -1 3 363.396 3.239 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)[C@H]1C[C@@]12CCCc1ccccc12 ZINC000823332271 599321472 /nfs/dbraw/zinc/32/14/72/599321472.db2.gz MJSPYPDVLUDZDT-OXQOHEQNSA-N -1 3 363.396 3.239 20 0 FGADHM Clc1ccc(NCCOCCOc2ccccc2)cc1-c1nnn[n-]1 ZINC000737573523 599326302 /nfs/dbraw/zinc/32/63/02/599326302.db2.gz IYIQBSSKZFLZFQ-UHFFFAOYSA-N -1 3 359.817 3.028 20 0 FGADHM Clc1ccc(NCCOCCOc2ccccc2)cc1-c1nn[n-]n1 ZINC000737573523 599326304 /nfs/dbraw/zinc/32/63/04/599326304.db2.gz IYIQBSSKZFLZFQ-UHFFFAOYSA-N -1 3 359.817 3.028 20 0 FGADHM COCCOc1ccc(F)cc1N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737015003 599326469 /nfs/dbraw/zinc/32/64/69/599326469.db2.gz LVOOAQOWJAUCJJ-GFCCVEGCSA-N -1 3 357.389 3.204 20 0 FGADHM COCCOc1ccc(F)cc1N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737015003 599326472 /nfs/dbraw/zinc/32/64/72/599326472.db2.gz LVOOAQOWJAUCJJ-GFCCVEGCSA-N -1 3 357.389 3.204 20 0 FGADHM Cc1sc(NC(=O)[C@H](C)N(C)Cc2ccccc2)c(-c2nnn[n-]2)c1C ZINC000737560352 599343146 /nfs/dbraw/zinc/34/31/46/599343146.db2.gz GCGXTZPBDZGGRR-LBPRGKRZSA-N -1 3 370.482 3.004 20 0 FGADHM Cc1sc(NC(=O)[C@H](C)N(C)Cc2ccccc2)c(-c2nn[n-]n2)c1C ZINC000737560352 599343148 /nfs/dbraw/zinc/34/31/48/599343148.db2.gz GCGXTZPBDZGGRR-LBPRGKRZSA-N -1 3 370.482 3.004 20 0 FGADHM O=C1[C@H](Sc2ccccc2-c2nnn[n-]2)CCN1c1ccc(Cl)cc1 ZINC000823514439 599343490 /nfs/dbraw/zinc/34/34/90/599343490.db2.gz ZMHVRYGLTIJNBA-OAHLLOKOSA-N -1 3 371.853 3.418 20 0 FGADHM O=C1[C@H](Sc2ccccc2-c2nn[n-]n2)CCN1c1ccc(Cl)cc1 ZINC000823514439 599343492 /nfs/dbraw/zinc/34/34/92/599343492.db2.gz ZMHVRYGLTIJNBA-OAHLLOKOSA-N -1 3 371.853 3.418 20 0 FGADHM C[C@@H](Sc1ccccc1-c1nnn[n-]1)C(=O)NCc1ccccc1Cl ZINC000820556901 599344557 /nfs/dbraw/zinc/34/45/57/599344557.db2.gz WDHSTNRBPXUURY-LLVKDONJSA-N -1 3 373.869 3.317 20 0 FGADHM C[C@@H](Sc1ccccc1-c1nn[n-]n1)C(=O)NCc1ccccc1Cl ZINC000820556901 599344558 /nfs/dbraw/zinc/34/45/58/599344558.db2.gz WDHSTNRBPXUURY-LLVKDONJSA-N -1 3 373.869 3.317 20 0 FGADHM CC(C)[C@@H](Sc1ccccc1-c1nnn[n-]1)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000820650163 599347146 /nfs/dbraw/zinc/34/71/46/599347146.db2.gz RHFLRFUPZUQABM-JKIFEVAISA-N -1 3 373.526 3.488 20 0 FGADHM CC(C)[C@@H](Sc1ccccc1-c1nn[n-]n1)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000820650163 599347148 /nfs/dbraw/zinc/34/71/48/599347148.db2.gz RHFLRFUPZUQABM-JKIFEVAISA-N -1 3 373.526 3.488 20 0 FGADHM C[C@@H]1CCC[C@@H](C)C1NC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736246154 599348254 /nfs/dbraw/zinc/34/82/54/599348254.db2.gz ZYDOUOMHPPGRAL-VXGBXAGGSA-N -1 3 359.478 3.369 20 0 FGADHM C[C@@H]1CCC[C@@H](C)C1NC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736246154 599348257 /nfs/dbraw/zinc/34/82/57/599348257.db2.gz ZYDOUOMHPPGRAL-VXGBXAGGSA-N -1 3 359.478 3.369 20 0 FGADHM O=C(CSc1ccccc1-c1nnn[n-]1)NCCCC1CCCCC1 ZINC000823071056 599348992 /nfs/dbraw/zinc/34/89/92/599348992.db2.gz ZFDCLXQASDJRBM-UHFFFAOYSA-N -1 3 359.499 3.436 20 0 FGADHM O=C(CSc1ccccc1-c1nn[n-]n1)NCCCC1CCCCC1 ZINC000823071056 599348995 /nfs/dbraw/zinc/34/89/95/599348995.db2.gz ZFDCLXQASDJRBM-UHFFFAOYSA-N -1 3 359.499 3.436 20 0 FGADHM CO[C@@H](C)C(=O)Nc1cccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821673564 599371393 /nfs/dbraw/zinc/37/13/93/599371393.db2.gz FPBMTWHKESNMCA-STQMWFEESA-N -1 3 366.425 3.013 20 0 FGADHM CO[C@@H](C)C(=O)Nc1cccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821673564 599371397 /nfs/dbraw/zinc/37/13/97/599371397.db2.gz FPBMTWHKESNMCA-STQMWFEESA-N -1 3 366.425 3.013 20 0 FGADHM O=C(c1cc2occc2s1)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000738255002 599373062 /nfs/dbraw/zinc/37/30/62/599373062.db2.gz PXNORXFKVQSNIS-UHFFFAOYSA-N -1 3 365.418 3.479 20 0 FGADHM O=C(c1cc2occc2s1)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000738255002 599373064 /nfs/dbraw/zinc/37/30/64/599373064.db2.gz PXNORXFKVQSNIS-UHFFFAOYSA-N -1 3 365.418 3.479 20 0 FGADHM Cc1cccc(C(C)(C)NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737386279 599378378 /nfs/dbraw/zinc/37/83/78/599378378.db2.gz XOWJJMQTLDPTTM-UHFFFAOYSA-N -1 3 367.478 3.319 20 0 FGADHM Cc1cccc(C(C)(C)NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737386279 599378383 /nfs/dbraw/zinc/37/83/83/599378383.db2.gz XOWJJMQTLDPTTM-UHFFFAOYSA-N -1 3 367.478 3.319 20 0 FGADHM O=C(N[C@H]1CC=CCC1)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000738023974 599381743 /nfs/dbraw/zinc/38/17/43/599381743.db2.gz WVZMZRAFYDTQHT-INIZCTEOSA-N -1 3 361.405 3.498 20 0 FGADHM O=C(N[C@H]1CC=CCC1)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738023974 599381746 /nfs/dbraw/zinc/38/17/46/599381746.db2.gz WVZMZRAFYDTQHT-INIZCTEOSA-N -1 3 361.405 3.498 20 0 FGADHM c1cnc2ccc(OCc3nnc(-c4ccc(-c5nnn[n-]5)cc4)o3)cc2c1 ZINC000823815200 599385485 /nfs/dbraw/zinc/38/54/85/599385485.db2.gz AYLFDSROYIWNSI-UHFFFAOYSA-N -1 3 371.360 3.044 20 0 FGADHM c1cnc2ccc(OCc3nnc(-c4ccc(-c5nn[n-]n5)cc4)o3)cc2c1 ZINC000823815200 599385488 /nfs/dbraw/zinc/38/54/88/599385488.db2.gz AYLFDSROYIWNSI-UHFFFAOYSA-N -1 3 371.360 3.044 20 0 FGADHM O=C(NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1)[C@@H]1CCCS1 ZINC000823253017 599386044 /nfs/dbraw/zinc/38/60/44/599386044.db2.gz FGANWBAXVZQCOG-HNNXBMFYSA-N -1 3 371.491 3.107 20 0 FGADHM Cc1cccc(N2CCN(c3cc(-c4nnn[n-]4)c4ccccc4n3)CC2)c1 ZINC000737397969 599399977 /nfs/dbraw/zinc/39/99/77/599399977.db2.gz DBSVMGPGNLOTAO-UHFFFAOYSA-N -1 3 371.448 3.050 20 0 FGADHM Cc1cccc(N2CCN(c3cc(-c4nn[n-]n4)c4ccccc4n3)CC2)c1 ZINC000737397969 599399980 /nfs/dbraw/zinc/39/99/80/599399980.db2.gz DBSVMGPGNLOTAO-UHFFFAOYSA-N -1 3 371.448 3.050 20 0 FGADHM C[C@H](NC(=O)N[C@@H](c1ccccc1)C1CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820360369 599400842 /nfs/dbraw/zinc/40/08/42/599400842.db2.gz YGQHUOUUCNVXLX-UGSOOPFHSA-N -1 3 362.437 3.378 20 0 FGADHM C[C@H](NC(=O)N[C@@H](c1ccccc1)C1CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820360369 599400846 /nfs/dbraw/zinc/40/08/46/599400846.db2.gz YGQHUOUUCNVXLX-UGSOOPFHSA-N -1 3 362.437 3.378 20 0 FGADHM Oc1ccc(C2=CCN(c3cc(-c4nnn[n-]4)c4ccccc4n3)CC2)cc1 ZINC000738397979 599401146 /nfs/dbraw/zinc/40/11/46/599401146.db2.gz RTKBKCNZPBSFBT-UHFFFAOYSA-N -1 3 370.416 3.414 20 0 FGADHM Oc1ccc(C2=CCN(c3cc(-c4nn[n-]n4)c4ccccc4n3)CC2)cc1 ZINC000738397979 599401147 /nfs/dbraw/zinc/40/11/47/599401147.db2.gz RTKBKCNZPBSFBT-UHFFFAOYSA-N -1 3 370.416 3.414 20 0 FGADHM CCCCOc1ccc([C@@H](C)NCc2ccc(-c3nnn[n-]3)o2)cc1OC ZINC000821077500 599406498 /nfs/dbraw/zinc/40/64/98/599406498.db2.gz IONICYICJLNESW-CYBMUJFWSA-N -1 3 371.441 3.498 20 0 FGADHM Cc1ccc([C@H](C)NC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822229040 599412232 /nfs/dbraw/zinc/41/22/32/599412232.db2.gz KWITXYMUAPLALZ-UONOGXRCSA-N -1 3 350.426 3.297 20 0 FGADHM Cc1ccc([C@H](C)NC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822229040 599412233 /nfs/dbraw/zinc/41/22/33/599412233.db2.gz KWITXYMUAPLALZ-UONOGXRCSA-N -1 3 350.426 3.297 20 0 FGADHM Fc1cccc(F)c1CCNc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000737660925 599412378 /nfs/dbraw/zinc/41/23/78/599412378.db2.gz LIYKCCCUZJHSDE-UHFFFAOYSA-N -1 3 352.348 3.348 20 0 FGADHM Fc1cccc(F)c1CCNc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000737660925 599412380 /nfs/dbraw/zinc/41/23/80/599412380.db2.gz LIYKCCCUZJHSDE-UHFFFAOYSA-N -1 3 352.348 3.348 20 0 FGADHM Cc1cnn(-c2ccc(C)cc2NCc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000822224886 607375141 /nfs/dbraw/zinc/37/51/41/607375141.db2.gz DSRUMTIJTXJOFM-UHFFFAOYSA-N -1 3 363.400 3.420 20 0 FGADHM Cc1cnn(-c2ccc(C)cc2NCc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000822224886 607375143 /nfs/dbraw/zinc/37/51/43/607375143.db2.gz DSRUMTIJTXJOFM-UHFFFAOYSA-N -1 3 363.400 3.420 20 0 FGADHM COc1ccc(OCCCNc2cc(Cl)ccc2-c2nnn[n-]2)cc1 ZINC000737109648 599416821 /nfs/dbraw/zinc/41/68/21/599416821.db2.gz KPWFYJJRYRFILT-UHFFFAOYSA-N -1 3 359.817 3.410 20 0 FGADHM COc1ccc(OCCCNc2cc(Cl)ccc2-c2nn[n-]n2)cc1 ZINC000737109648 599416825 /nfs/dbraw/zinc/41/68/25/599416825.db2.gz KPWFYJJRYRFILT-UHFFFAOYSA-N -1 3 359.817 3.410 20 0 FGADHM O=C(CC/C=C\c1ccccc1)OCC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826405628 607375485 /nfs/dbraw/zinc/37/54/85/607375485.db2.gz MYEPZOJRJJOUSG-WTKPLQERSA-N -1 3 362.389 3.086 20 0 FGADHM O=C(CC/C=C\c1ccccc1)OCC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826405628 607375486 /nfs/dbraw/zinc/37/54/86/607375486.db2.gz MYEPZOJRJJOUSG-WTKPLQERSA-N -1 3 362.389 3.086 20 0 FGADHM CC(C)c1ccc(CNC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000820192267 599420897 /nfs/dbraw/zinc/42/08/97/599420897.db2.gz HIXSRHIUDHJTNX-UHFFFAOYSA-N -1 3 368.416 3.129 20 0 FGADHM CC(C)c1ccc(CNC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000820192267 599420899 /nfs/dbraw/zinc/42/08/99/599420899.db2.gz HIXSRHIUDHJTNX-UHFFFAOYSA-N -1 3 368.416 3.129 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1COc1ccc(F)c2c1C(=O)C[C@@H]2C ZINC000821749273 607377666 /nfs/dbraw/zinc/37/76/66/607377666.db2.gz DOXYCIFQMSDQEN-JTQLQIEISA-N -1 3 368.368 3.283 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1COc1ccc(F)c2c1C(=O)C[C@@H]2C ZINC000821749273 607377668 /nfs/dbraw/zinc/37/76/68/607377668.db2.gz DOXYCIFQMSDQEN-JTQLQIEISA-N -1 3 368.368 3.283 20 0 FGADHM C[C@@H]1CCCC[C@@H]1CCNC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000820696851 599442081 /nfs/dbraw/zinc/44/20/81/599442081.db2.gz COHPDMCHNFIDSE-CHWSQXEVSA-N -1 3 360.437 3.021 20 0 FGADHM C[C@@H]1CCCC[C@@H]1CCNC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000820696851 599442083 /nfs/dbraw/zinc/44/20/83/599442083.db2.gz COHPDMCHNFIDSE-CHWSQXEVSA-N -1 3 360.437 3.021 20 0 FGADHM CCN(C(=O)CC[C@@H]1CC[C@@H](C)O1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821147500 599455747 /nfs/dbraw/zinc/45/57/47/599455747.db2.gz HFRVBIZTWUHSMH-CPUCHLNUSA-N -1 3 357.458 3.124 20 0 FGADHM CCN(C(=O)CC[C@@H]1CC[C@@H](C)O1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821147500 599455749 /nfs/dbraw/zinc/45/57/49/599455749.db2.gz HFRVBIZTWUHSMH-CPUCHLNUSA-N -1 3 357.458 3.124 20 0 FGADHM CN(CCC1CCCCC1)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000821599444 599458673 /nfs/dbraw/zinc/45/86/73/599458673.db2.gz UVZKHUHHHLGEQB-UHFFFAOYSA-N -1 3 360.437 3.118 20 0 FGADHM CN(CCC1CCCCC1)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000821599444 599458675 /nfs/dbraw/zinc/45/86/75/599458675.db2.gz UVZKHUHHHLGEQB-UHFFFAOYSA-N -1 3 360.437 3.118 20 0 FGADHM CC(C)[C@H]1CCC[C@@H](NC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC000820037580 599459599 /nfs/dbraw/zinc/45/95/99/599459599.db2.gz FFLKPDMWJAYLOL-SWLSCSKDSA-N -1 3 360.437 3.020 20 0 FGADHM CC(C)[C@H]1CCC[C@@H](NC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC000820037580 599459600 /nfs/dbraw/zinc/45/96/00/599459600.db2.gz FFLKPDMWJAYLOL-SWLSCSKDSA-N -1 3 360.437 3.020 20 0 FGADHM Fc1ccc(NCCc2ccc(Br)s2)c(-c2nnn[n-]2)c1 ZINC000822782762 599468397 /nfs/dbraw/zinc/46/83/97/599468397.db2.gz FYYOUVNKXUNWNT-UHFFFAOYSA-N -1 3 368.235 3.484 20 0 FGADHM Fc1ccc(NCCc2ccc(Br)s2)c(-c2nn[n-]n2)c1 ZINC000822782762 599468398 /nfs/dbraw/zinc/46/83/98/599468398.db2.gz FYYOUVNKXUNWNT-UHFFFAOYSA-N -1 3 368.235 3.484 20 0 FGADHM CO[C@H](CNc1c(-c2nnn[n-]2)cnc2c(C)cc(C)cc21)c1ccccc1 ZINC000821676801 599468802 /nfs/dbraw/zinc/46/88/02/599468802.db2.gz HIXBNWMAMQRHEC-GOSISDBHSA-N -1 3 374.448 3.253 20 0 FGADHM CO[C@H](CNc1c(-c2nn[n-]n2)cnc2c(C)cc(C)cc21)c1ccccc1 ZINC000821676801 599468805 /nfs/dbraw/zinc/46/88/05/599468805.db2.gz HIXBNWMAMQRHEC-GOSISDBHSA-N -1 3 374.448 3.253 20 0 FGADHM C[C@H](NC(=O)N1CCC[C@H]1c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820348151 599470190 /nfs/dbraw/zinc/47/01/90/599470190.db2.gz AHCUIWPJHYFFDD-KSSFIOAISA-N -1 3 362.437 3.474 20 0 FGADHM C[C@H](NC(=O)N1CCC[C@H]1c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820348151 599470191 /nfs/dbraw/zinc/47/01/91/599470191.db2.gz AHCUIWPJHYFFDD-KSSFIOAISA-N -1 3 362.437 3.474 20 0 FGADHM O=C(Nc1cccc(CNc2ccc(F)cc2-c2nnn[n-]2)c1)C1CCC1 ZINC000823363610 599472608 /nfs/dbraw/zinc/47/26/08/599472608.db2.gz IYAXQKIOHGJLRQ-UHFFFAOYSA-N -1 3 366.400 3.357 20 0 FGADHM O=C(Nc1cccc(CNc2ccc(F)cc2-c2nn[n-]n2)c1)C1CCC1 ZINC000823363610 599472611 /nfs/dbraw/zinc/47/26/11/599472611.db2.gz IYAXQKIOHGJLRQ-UHFFFAOYSA-N -1 3 366.400 3.357 20 0 FGADHM CCCCNC(=O)c1ccc(CNc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000821073236 599477478 /nfs/dbraw/zinc/47/74/78/599477478.db2.gz YHITUMOXSJCKES-UHFFFAOYSA-N -1 3 368.416 3.148 20 0 FGADHM CCCCNC(=O)c1ccc(CNc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000821073236 599477480 /nfs/dbraw/zinc/47/74/80/599477480.db2.gz YHITUMOXSJCKES-UHFFFAOYSA-N -1 3 368.416 3.148 20 0 FGADHM C[C@@H](NC(=O)N1CCc2ccccc2[C@H]1C)c1cccc(-c2nnn[n-]2)c1 ZINC000820348990 599478119 /nfs/dbraw/zinc/47/81/19/599478119.db2.gz GYPZLGILMRWGKA-ZIAGYGMSSA-N -1 3 362.437 3.257 20 0 FGADHM C[C@@H](NC(=O)N1CCc2ccccc2[C@H]1C)c1cccc(-c2nn[n-]n2)c1 ZINC000820348990 599478122 /nfs/dbraw/zinc/47/81/22/599478122.db2.gz GYPZLGILMRWGKA-ZIAGYGMSSA-N -1 3 362.437 3.257 20 0 FGADHM CN(Cc1cc(Br)cs1)c1ccc(F)cc1-c1nnn[n-]1 ZINC000821607656 599479593 /nfs/dbraw/zinc/47/95/93/599479593.db2.gz YHWFZBNZNHINFG-UHFFFAOYSA-N -1 3 368.235 3.466 20 0 FGADHM CN(Cc1cc(Br)cs1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000821607656 599479595 /nfs/dbraw/zinc/47/95/95/599479595.db2.gz YHWFZBNZNHINFG-UHFFFAOYSA-N -1 3 368.235 3.466 20 0 FGADHM C[C@H](NC(=O)N1CC[C@H]1c1cccc(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820342052 599482925 /nfs/dbraw/zinc/48/29/25/599482925.db2.gz SOBMLECFFVZHBG-SJCJKPOMSA-N -1 3 366.400 3.223 20 0 FGADHM C[C@H](NC(=O)N1CC[C@H]1c1cccc(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820342052 599482927 /nfs/dbraw/zinc/48/29/27/599482927.db2.gz SOBMLECFFVZHBG-SJCJKPOMSA-N -1 3 366.400 3.223 20 0 FGADHM C[C@@H](NC(=O)N1CCC(C(C)(C)C)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820342431 599483393 /nfs/dbraw/zinc/48/33/93/599483393.db2.gz UKNGTHQUSNYDOU-CYBMUJFWSA-N -1 3 356.474 3.395 20 0 FGADHM C[C@@H](NC(=O)N1CCC(C(C)(C)C)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820342431 599483395 /nfs/dbraw/zinc/48/33/95/599483395.db2.gz UKNGTHQUSNYDOU-CYBMUJFWSA-N -1 3 356.474 3.395 20 0 FGADHM Cc1ccc([C@H]2CCCN2C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)o1 ZINC000822233099 599485056 /nfs/dbraw/zinc/48/50/56/599485056.db2.gz HWOZKPIUPOAXIQ-CZUORRHYSA-N -1 3 366.425 3.376 20 0 FGADHM Cc1ccc([C@H]2CCCN2C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)o1 ZINC000822233099 599485057 /nfs/dbraw/zinc/48/50/57/599485057.db2.gz HWOZKPIUPOAXIQ-CZUORRHYSA-N -1 3 366.425 3.376 20 0 FGADHM C[C@H](NC(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820357510 599485431 /nfs/dbraw/zinc/48/54/31/599485431.db2.gz HKFQRXMKTWJFDC-YOKBYHGQSA-N -1 3 354.458 3.196 20 0 FGADHM C[C@H](NC(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820357510 599485433 /nfs/dbraw/zinc/48/54/33/599485433.db2.gz HKFQRXMKTWJFDC-YOKBYHGQSA-N -1 3 354.458 3.196 20 0 FGADHM Fc1ccc(CNc2c(-c3nnn[n-]3)cnc3c(F)ccc(F)c32)cc1F ZINC000822772164 599495944 /nfs/dbraw/zinc/49/59/44/599495944.db2.gz RPWGYQQMLBGEBN-UHFFFAOYSA-N -1 3 374.301 3.005 20 0 FGADHM Fc1ccc(CNc2c(-c3nn[n-]n3)cnc3c(F)ccc(F)c32)cc1F ZINC000822772164 599495945 /nfs/dbraw/zinc/49/59/45/599495945.db2.gz RPWGYQQMLBGEBN-UHFFFAOYSA-N -1 3 374.301 3.005 20 0 FGADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2NCc1ccc(F)c(F)c1 ZINC000822335775 599496217 /nfs/dbraw/zinc/49/62/17/599496217.db2.gz LOOATVMJAUTTEJ-UHFFFAOYSA-N -1 3 352.348 3.036 20 0 FGADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2NCc1ccc(F)c(F)c1 ZINC000822335775 599496220 /nfs/dbraw/zinc/49/62/20/599496220.db2.gz LOOATVMJAUTTEJ-UHFFFAOYSA-N -1 3 352.348 3.036 20 0 FGADHM CCc1ccc(CCNC(=O)Nc2cc(-c3nnn[n-]3)ccc2C)cc1 ZINC000736684411 599501481 /nfs/dbraw/zinc/50/14/81/599501481.db2.gz YPFHLLLRKOBIRJ-UHFFFAOYSA-N -1 3 350.426 3.102 20 0 FGADHM CCc1ccc(CCNC(=O)Nc2cc(-c3nn[n-]n3)ccc2C)cc1 ZINC000736684411 599501483 /nfs/dbraw/zinc/50/14/83/599501483.db2.gz YPFHLLLRKOBIRJ-UHFFFAOYSA-N -1 3 350.426 3.102 20 0 FGADHM Clc1cccc(-c2nnn[n-]2)c1NCc1ccccc1-n1cccn1 ZINC000822586229 599501649 /nfs/dbraw/zinc/50/16/49/599501649.db2.gz UKXXRYFWOXUWLX-UHFFFAOYSA-N -1 3 351.801 3.318 20 0 FGADHM Clc1cccc(-c2nn[n-]n2)c1NCc1ccccc1-n1cccn1 ZINC000822586229 599501651 /nfs/dbraw/zinc/50/16/51/599501651.db2.gz UKXXRYFWOXUWLX-UHFFFAOYSA-N -1 3 351.801 3.318 20 0 FGADHM C[C@H](NC(=O)C=Cc1ccc(Cl)s1)c1cccc(-c2nnn[n-]2)c1 ZINC000820322763 599501854 /nfs/dbraw/zinc/50/18/54/599501854.db2.gz VIIRTLGWCINBNL-ZEBCKKTISA-N -1 3 359.842 3.472 20 0 FGADHM C[C@H](NC(=O)C=Cc1ccc(Cl)s1)c1cccc(-c2nn[n-]n2)c1 ZINC000820322763 599501856 /nfs/dbraw/zinc/50/18/56/599501856.db2.gz VIIRTLGWCINBNL-ZEBCKKTISA-N -1 3 359.842 3.472 20 0 FGADHM Cc1cccc(C(C)(C)NC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000737385358 599504330 /nfs/dbraw/zinc/50/43/30/599504330.db2.gz REDSWSJNIAOJKQ-UHFFFAOYSA-N -1 3 354.389 3.371 20 0 FGADHM Cc1cccc(C(C)(C)NC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000737385358 599504333 /nfs/dbraw/zinc/50/43/33/599504333.db2.gz REDSWSJNIAOJKQ-UHFFFAOYSA-N -1 3 354.389 3.371 20 0 FGADHM C[C@H](NC(=O)CCc1cccc(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820329318 599516910 /nfs/dbraw/zinc/51/69/10/599516910.db2.gz VHRYHSBMKBZFHI-LBPRGKRZSA-N -1 3 355.829 3.330 20 0 FGADHM C[C@H](NC(=O)CCc1cccc(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820329318 599516912 /nfs/dbraw/zinc/51/69/12/599516912.db2.gz VHRYHSBMKBZFHI-LBPRGKRZSA-N -1 3 355.829 3.330 20 0 FGADHM CCc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000825704943 607382210 /nfs/dbraw/zinc/38/22/10/607382210.db2.gz QZPKGZDIJWADTM-CYBMUJFWSA-N -1 3 364.405 3.166 20 0 FGADHM CCc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000825704943 607382211 /nfs/dbraw/zinc/38/22/11/607382211.db2.gz QZPKGZDIJWADTM-CYBMUJFWSA-N -1 3 364.405 3.166 20 0 FGADHM C[C@H](NC(=O)CCCOc1ccccc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000820322447 599523933 /nfs/dbraw/zinc/52/39/33/599523933.db2.gz STDVPJZCGSGYAB-ZDUSSCGKSA-N -1 3 369.400 3.042 20 0 FGADHM C[C@H](NC(=O)CCCOc1ccccc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000820322447 599523935 /nfs/dbraw/zinc/52/39/35/599523935.db2.gz STDVPJZCGSGYAB-ZDUSSCGKSA-N -1 3 369.400 3.042 20 0 FGADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N[C@H](C)C[C@@H](O)c1ccccc1 ZINC000822336935 607382406 /nfs/dbraw/zinc/38/24/06/607382406.db2.gz URZMJGFIVXPRGF-RDTXWAMCSA-N -1 3 374.448 3.069 20 0 FGADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N[C@H](C)C[C@@H](O)c1ccccc1 ZINC000822336935 607382408 /nfs/dbraw/zinc/38/24/08/607382408.db2.gz URZMJGFIVXPRGF-RDTXWAMCSA-N -1 3 374.448 3.069 20 0 FGADHM C[C@H](NC(=O)c1sccc1OC(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000820403059 599531606 /nfs/dbraw/zinc/53/16/06/599531606.db2.gz HCGPDQYULZPJJS-QMMMGPOBSA-N -1 3 365.365 3.021 20 0 FGADHM C[C@H](NC(=O)c1sccc1OC(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000820403059 599531607 /nfs/dbraw/zinc/53/16/07/599531607.db2.gz HCGPDQYULZPJJS-QMMMGPOBSA-N -1 3 365.365 3.021 20 0 FGADHM C[C@H](NC(=O)C(C)(C)c1cccc(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820313340 599537753 /nfs/dbraw/zinc/53/77/53/599537753.db2.gz CXNSZVZMXQEKMK-LBPRGKRZSA-N -1 3 353.401 3.161 20 0 FGADHM C[C@H](NC(=O)C(C)(C)c1cccc(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820313340 599537756 /nfs/dbraw/zinc/53/77/56/599537756.db2.gz CXNSZVZMXQEKMK-LBPRGKRZSA-N -1 3 353.401 3.161 20 0 FGADHM C[C@@H](C(=O)NCCSCc1ccccc1-c1nnn[n-]1)c1cccs1 ZINC000735546604 599538483 /nfs/dbraw/zinc/53/84/83/599538483.db2.gz FIJHIQPEVIISAE-GFCCVEGCSA-N -1 3 373.507 3.081 20 0 FGADHM C[C@@H](C(=O)NCCSCc1ccccc1-c1nn[n-]n1)c1cccs1 ZINC000735546604 599538484 /nfs/dbraw/zinc/53/84/84/599538484.db2.gz FIJHIQPEVIISAE-GFCCVEGCSA-N -1 3 373.507 3.081 20 0 FGADHM C[C@@H](NC(=O)c1[nH]c2ccccc2c1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000820384899 599538531 /nfs/dbraw/zinc/53/85/31/599538531.db2.gz MRPZDZNZEYFNGS-SNVBAGLBSA-N -1 3 366.812 3.492 20 0 FGADHM C[C@@H](NC(=O)c1[nH]c2ccccc2c1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000820384899 599538532 /nfs/dbraw/zinc/53/85/32/599538532.db2.gz MRPZDZNZEYFNGS-SNVBAGLBSA-N -1 3 366.812 3.492 20 0 FGADHM Cc1cnn([C@H]2CCCN(c3c(-c4nnn[n-]4)cnc4c(C)cccc43)C2)c1 ZINC000822403728 599539855 /nfs/dbraw/zinc/53/98/55/599539855.db2.gz SNZARKWYSZSUFK-HNNXBMFYSA-N -1 3 374.452 3.070 20 0 FGADHM Cc1cnn([C@H]2CCCN(c3c(-c4nn[n-]n4)cnc4c(C)cccc43)C2)c1 ZINC000822403728 599539856 /nfs/dbraw/zinc/53/98/56/599539856.db2.gz SNZARKWYSZSUFK-HNNXBMFYSA-N -1 3 374.452 3.070 20 0 FGADHM C[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(F)c1F)c1cccc(-c2nnn[n-]2)c1 ZINC000820322070 599540895 /nfs/dbraw/zinc/54/08/95/599540895.db2.gz QHPGRGOSRKSVNF-NZVBXONLSA-N -1 3 369.375 3.126 20 0 FGADHM C[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(F)c1F)c1cccc(-c2nn[n-]n2)c1 ZINC000820322070 599540897 /nfs/dbraw/zinc/54/08/97/599540897.db2.gz QHPGRGOSRKSVNF-NZVBXONLSA-N -1 3 369.375 3.126 20 0 FGADHM Cc1nn(C)c(Cl)c1[C@H]1CCCN1c1ccc(F)cc1-c1nnn[n-]1 ZINC000822496566 599541244 /nfs/dbraw/zinc/54/12/44/599541244.db2.gz RAPVTZGAZNRLOA-CYBMUJFWSA-N -1 3 361.812 3.043 20 0 FGADHM Cc1nn(C)c(Cl)c1[C@H]1CCCN1c1ccc(F)cc1-c1nn[n-]n1 ZINC000822496566 599541245 /nfs/dbraw/zinc/54/12/45/599541245.db2.gz RAPVTZGAZNRLOA-CYBMUJFWSA-N -1 3 361.812 3.043 20 0 FGADHM Cc1onc(-c2ccccc2)c1C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822553860 599546435 /nfs/dbraw/zinc/54/64/35/599546435.db2.gz RYUTXELLBVJMCJ-LBPRGKRZSA-N -1 3 374.404 3.321 20 0 FGADHM Cc1onc(-c2ccccc2)c1C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822553860 599546437 /nfs/dbraw/zinc/54/64/37/599546437.db2.gz RYUTXELLBVJMCJ-LBPRGKRZSA-N -1 3 374.404 3.321 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N[C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000737802054 599546518 /nfs/dbraw/zinc/54/65/18/599546518.db2.gz OLHUXMAXMHNKOR-LLCKLDCASA-N -1 3 373.460 3.408 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N[C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000737802054 599546521 /nfs/dbraw/zinc/54/65/21/599546521.db2.gz OLHUXMAXMHNKOR-LLCKLDCASA-N -1 3 373.460 3.408 20 0 FGADHM Cc1ncsc1CN(C)c1c(-c2nnn[n-]2)cnc2c(C)cccc21 ZINC000822482545 599547231 /nfs/dbraw/zinc/54/72/31/599547231.db2.gz VPBURPRDNFTRBT-UHFFFAOYSA-N -1 3 351.439 3.125 20 0 FGADHM Cc1ncsc1CN(C)c1c(-c2nn[n-]n2)cnc2c(C)cccc21 ZINC000822482545 599547234 /nfs/dbraw/zinc/54/72/34/599547234.db2.gz VPBURPRDNFTRBT-UHFFFAOYSA-N -1 3 351.439 3.125 20 0 FGADHM CC[C@@H]1CN(c2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)C[C@H](C)O1 ZINC000820994339 599549155 /nfs/dbraw/zinc/54/91/55/599549155.db2.gz GWASFEZHMHJBCV-CMPLNLGQSA-N -1 3 358.833 3.072 20 0 FGADHM CC[C@@H]1CN(c2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)C[C@H](C)O1 ZINC000820994339 599549157 /nfs/dbraw/zinc/54/91/57/599549157.db2.gz GWASFEZHMHJBCV-CMPLNLGQSA-N -1 3 358.833 3.072 20 0 FGADHM O=C(N[C@@H]1CCC[C@H]1Cc1ccccc1)c1sccc1-c1nnn[n-]1 ZINC000738022402 599550092 /nfs/dbraw/zinc/55/00/92/599550092.db2.gz CZEOGHQKTDJUKM-DZGCQCFKSA-N -1 3 353.451 3.069 20 0 FGADHM O=C(N[C@@H]1CCC[C@H]1Cc1ccccc1)c1sccc1-c1nn[n-]n1 ZINC000738022402 599550094 /nfs/dbraw/zinc/55/00/94/599550094.db2.gz CZEOGHQKTDJUKM-DZGCQCFKSA-N -1 3 353.451 3.069 20 0 FGADHM O[C@H](CNc1ccc(F)cc1-c1nnn[n-]1)c1ccc(Cl)cc1Cl ZINC000823689143 599551413 /nfs/dbraw/zinc/55/14/13/599551413.db2.gz BJHYEXVMNCQCRI-CQSZACIVSA-N -1 3 368.199 3.458 20 0 FGADHM O[C@H](CNc1ccc(F)cc1-c1nn[n-]n1)c1ccc(Cl)cc1Cl ZINC000823689143 599551415 /nfs/dbraw/zinc/55/14/15/599551415.db2.gz BJHYEXVMNCQCRI-CQSZACIVSA-N -1 3 368.199 3.458 20 0 FGADHM COc1ccc(C[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3F)C2)cc1 ZINC000821790219 599591682 /nfs/dbraw/zinc/59/16/82/599591682.db2.gz JVSYAGSRHYMDFX-OAHLLOKOSA-N -1 3 367.428 3.474 20 0 FGADHM CC[C@@H](C)[C@@H]1CCCCN1C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000736333784 599613102 /nfs/dbraw/zinc/61/31/02/599613102.db2.gz VCSJEZFISCCPBU-WBMJQRKESA-N -1 3 360.437 3.116 20 0 FGADHM CC[C@@H](C)[C@@H]1CCCCN1C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000736333784 599613104 /nfs/dbraw/zinc/61/31/04/599613104.db2.gz VCSJEZFISCCPBU-WBMJQRKESA-N -1 3 360.437 3.116 20 0 FGADHM Cc1ccc([C@@H](C)CNC(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737318948 599614865 /nfs/dbraw/zinc/61/48/65/599614865.db2.gz BRLHAEQQXBLWOY-HNNXBMFYSA-N -1 3 364.453 3.120 20 0 FGADHM Cc1ccc([C@@H](C)CNC(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737318948 599614867 /nfs/dbraw/zinc/61/48/67/599614867.db2.gz BRLHAEQQXBLWOY-HNNXBMFYSA-N -1 3 364.453 3.120 20 0 FGADHM CC(C)(C)c1ncc(C=CC(=O)OCc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000819966008 599622916 /nfs/dbraw/zinc/62/29/16/599622916.db2.gz SCHKYEHZMIRUQS-CMDGGOBGSA-N -1 3 369.450 3.377 20 0 FGADHM CC(C)(C)c1ncc(C=CC(=O)OCc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000819966008 599622917 /nfs/dbraw/zinc/62/29/17/599622917.db2.gz SCHKYEHZMIRUQS-CMDGGOBGSA-N -1 3 369.450 3.377 20 0 FGADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1)[C@H]1C[C@]12CCCc1ccccc12 ZINC000823417909 599623326 /nfs/dbraw/zinc/62/33/26/599623326.db2.gz LNQMLFADVGOQGV-NQIIRXRSSA-N -1 3 360.417 3.204 20 0 FGADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1)[C@H]1C[C@]12CCCc1ccccc12 ZINC000823417909 599623327 /nfs/dbraw/zinc/62/33/27/599623327.db2.gz LNQMLFADVGOQGV-NQIIRXRSSA-N -1 3 360.417 3.204 20 0 FGADHM Cc1cncc(C(=O)N(Cc2ccccc2)c2ccccc2-c2nnn[n-]2)c1 ZINC000822400103 599630699 /nfs/dbraw/zinc/63/06/99/599630699.db2.gz WOIKGLHMBXDVJK-UHFFFAOYSA-N -1 3 370.416 3.417 20 0 FGADHM Cc1cncc(C(=O)N(Cc2ccccc2)c2ccccc2-c2nn[n-]n2)c1 ZINC000822400103 599630700 /nfs/dbraw/zinc/63/07/00/599630700.db2.gz WOIKGLHMBXDVJK-UHFFFAOYSA-N -1 3 370.416 3.417 20 0 FGADHM CCOCCOCc1cccc(NCc2cccc(-c3nnn[n-]3)c2)c1C ZINC000821384292 599646980 /nfs/dbraw/zinc/64/69/80/599646980.db2.gz SWXXXAIFXMIMNA-UHFFFAOYSA-N -1 3 367.453 3.340 20 0 FGADHM CCOCCOCc1cccc(NCc2cccc(-c3nn[n-]n3)c2)c1C ZINC000821384292 599646981 /nfs/dbraw/zinc/64/69/81/599646981.db2.gz SWXXXAIFXMIMNA-UHFFFAOYSA-N -1 3 367.453 3.340 20 0 FGADHM O=C(NCC1CCC(C(F)(F)F)CC1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000823176317 599648273 /nfs/dbraw/zinc/64/82/73/599648273.db2.gz RNSLBXUMZRXPJL-UHFFFAOYSA-N -1 3 368.363 3.357 20 0 FGADHM O=C(NCC1CCC(C(F)(F)F)CC1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000823176317 599648274 /nfs/dbraw/zinc/64/82/74/599648274.db2.gz RNSLBXUMZRXPJL-UHFFFAOYSA-N -1 3 368.363 3.357 20 0 FGADHM Cc1nc(SCC(=O)N2[C@H](C)CCC[C@@H]2C)c(-c2nnn[n-]2)c(C)c1C ZINC000822452829 599656202 /nfs/dbraw/zinc/65/62/02/599656202.db2.gz AVFCEOCSPXQPNS-PHIMTYICSA-N -1 3 374.514 3.069 20 0 FGADHM Cc1nc(SCC(=O)N2[C@H](C)CCC[C@@H]2C)c(-c2nn[n-]n2)c(C)c1C ZINC000822452829 599656203 /nfs/dbraw/zinc/65/62/03/599656203.db2.gz AVFCEOCSPXQPNS-PHIMTYICSA-N -1 3 374.514 3.069 20 0 FGADHM CC(C)[C@H](C(=O)OCc1ccc(F)cc1-c1nnn[n-]1)c1ccccc1 ZINC000820017467 599669587 /nfs/dbraw/zinc/66/95/87/599669587.db2.gz XQZLCYJRVUFBKS-KRWDZBQOSA-N -1 3 354.385 3.489 20 0 FGADHM CC(C)[C@H](C(=O)OCc1ccc(F)cc1-c1nn[n-]n1)c1ccccc1 ZINC000820017467 599669588 /nfs/dbraw/zinc/66/95/88/599669588.db2.gz XQZLCYJRVUFBKS-KRWDZBQOSA-N -1 3 354.385 3.489 20 0 FGADHM C[C@H](CCc1cccc(F)c1)C(=O)OCc1ccc(-c2nnn[n-]2)cc1F ZINC000820254457 599669816 /nfs/dbraw/zinc/66/98/16/599669816.db2.gz PTOCTQQIMDZIHH-GFCCVEGCSA-N -1 3 372.375 3.457 20 0 FGADHM C[C@H](CCc1cccc(F)c1)C(=O)OCc1ccc(-c2nn[n-]n2)cc1F ZINC000820254457 599669817 /nfs/dbraw/zinc/66/98/17/599669817.db2.gz PTOCTQQIMDZIHH-GFCCVEGCSA-N -1 3 372.375 3.457 20 0 FGADHM CC(C)N(Cc1cccs1)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000820120346 599678372 /nfs/dbraw/zinc/67/83/72/599678372.db2.gz CYJQZEOKTQXQQH-UHFFFAOYSA-N -1 3 374.445 3.188 20 0 FGADHM CC(C)N(Cc1cccs1)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000820120346 599678373 /nfs/dbraw/zinc/67/83/73/599678373.db2.gz CYJQZEOKTQXQQH-UHFFFAOYSA-N -1 3 374.445 3.188 20 0 FGADHM O=C(Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1)[C@H]1CCCCO1 ZINC000823443961 607391666 /nfs/dbraw/zinc/39/16/66/607391666.db2.gz HXHHXYGJRRMBSZ-QGZVFWFLSA-N -1 3 350.378 3.008 20 0 FGADHM O=C(Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1)[C@H]1CCCCO1 ZINC000823443961 607391667 /nfs/dbraw/zinc/39/16/67/607391667.db2.gz HXHHXYGJRRMBSZ-QGZVFWFLSA-N -1 3 350.378 3.008 20 0 FGADHM CN(CCNC(=O)Nc1ccc(F)c(NC(=O)[O-])c1)Cc1ccccc1 ZINC000737444174 599718073 /nfs/dbraw/zinc/71/80/73/599718073.db2.gz UTWRBMAVNNGDKT-UHFFFAOYSA-N -1 3 360.389 3.169 20 0 FGADHM CCc1c(C)sc(NC(=O)C=Cc2cncc(C)c2)c1-c1nnn[n-]1 ZINC000821465826 607393865 /nfs/dbraw/zinc/39/38/65/607393865.db2.gz QVJDKBJJTFYJIZ-WAYWQWQTSA-N -1 3 354.439 3.154 20 0 FGADHM CCc1c(C)sc(NC(=O)C=Cc2cncc(C)c2)c1-c1nn[n-]n1 ZINC000821465826 607393867 /nfs/dbraw/zinc/39/38/67/607393867.db2.gz QVJDKBJJTFYJIZ-WAYWQWQTSA-N -1 3 354.439 3.154 20 0 FGADHM C[C@@H](c1ccc(C(=O)[O-])o1)N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000736715702 599791672 /nfs/dbraw/zinc/79/16/72/599791672.db2.gz VZNCRZVYSDDYTQ-QWHCGFSZSA-N -1 3 352.431 3.228 20 0 FGADHM CCC(CC)(NCC(=O)N1CCC(C(=O)[O-])CC1)c1ccc(Cl)cc1 ZINC000736894494 599800535 /nfs/dbraw/zinc/80/05/35/599800535.db2.gz OSYFAVRDGYAZAQ-UHFFFAOYSA-N -1 3 366.889 3.268 20 0 FGADHM CC(C)Oc1ccc(NC(=O)C=Cc2cccs2)cc1-c1nnn[n-]1 ZINC000820161585 607398295 /nfs/dbraw/zinc/39/82/95/607398295.db2.gz XNTXDIMDLLVHBY-VURMDHGXSA-N -1 3 355.423 3.367 20 0 FGADHM CC(C)Oc1ccc(NC(=O)C=Cc2cccs2)cc1-c1nn[n-]n1 ZINC000820161585 607398297 /nfs/dbraw/zinc/39/82/97/607398297.db2.gz XNTXDIMDLLVHBY-VURMDHGXSA-N -1 3 355.423 3.367 20 0 FGADHM CC(C)Oc1ccc(NC(=O)CO[C@@H]2CCCC[C@@H]2C)cc1-c1nnn[n-]1 ZINC000820160054 607401688 /nfs/dbraw/zinc/40/16/88/607401688.db2.gz FHSHHAAFRDXCSR-XJKSGUPXSA-N -1 3 373.457 3.188 20 0 FGADHM CC(C)Oc1ccc(NC(=O)CO[C@@H]2CCCC[C@@H]2C)cc1-c1nn[n-]n1 ZINC000820160054 607401690 /nfs/dbraw/zinc/40/16/90/607401690.db2.gz FHSHHAAFRDXCSR-XJKSGUPXSA-N -1 3 373.457 3.188 20 0 FGADHM COc1ccc([C@H](NCc2cc(=O)oc3cc(C)c(C)cc23)C(=O)[O-])cc1 ZINC000737972987 599859669 /nfs/dbraw/zinc/85/96/69/599859669.db2.gz PSNBERIUWHEVQK-FQEVSTJZSA-N -1 3 367.401 3.334 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)O[C@H](c1ccccn1)C(F)(F)F ZINC000826251478 607402882 /nfs/dbraw/zinc/40/28/82/607402882.db2.gz QVSQFBCATPZZED-CYBMUJFWSA-N -1 3 363.299 3.031 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)O[C@H](c1ccccn1)C(F)(F)F ZINC000826251478 607402884 /nfs/dbraw/zinc/40/28/84/607402884.db2.gz QVSQFBCATPZZED-CYBMUJFWSA-N -1 3 363.299 3.031 20 0 FGADHM Cc1cc(CNC(C)(C)C(=O)Nc2ccccc2)cc(C)c1OCC(=O)[O-] ZINC000738389659 599871159 /nfs/dbraw/zinc/87/11/59/599871159.db2.gz TYVAUWGOVLMKON-UHFFFAOYSA-N -1 3 370.449 3.274 20 0 FGADHM CC(C)c1ccc(C(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)cn1 ZINC000820187893 607403273 /nfs/dbraw/zinc/40/32/73/607403273.db2.gz XWYSGKDDEADTJH-UHFFFAOYSA-N -1 3 356.817 3.315 20 0 FGADHM CC(C)c1ccc(C(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)cn1 ZINC000820187893 607403274 /nfs/dbraw/zinc/40/32/74/607403274.db2.gz XWYSGKDDEADTJH-UHFFFAOYSA-N -1 3 356.817 3.315 20 0 FGADHM COc1cccc([C@H](C)CC(=O)OCc2ccc(-c3nnn[n-]3)cc2C)c1 ZINC000826214858 607404501 /nfs/dbraw/zinc/40/45/01/607404501.db2.gz YZYXNVPNLRFINI-CQSZACIVSA-N -1 3 366.421 3.421 20 0 FGADHM COc1cccc([C@H](C)CC(=O)OCc2ccc(-c3nn[n-]n3)cc2C)c1 ZINC000826214858 607404503 /nfs/dbraw/zinc/40/45/03/607404503.db2.gz YZYXNVPNLRFINI-CQSZACIVSA-N -1 3 366.421 3.421 20 0 FGADHM CN(C)Cc1ccc(C(=O)Nc2cccc(CSCC(=O)[O-])c2)cc1 ZINC000737370386 599920282 /nfs/dbraw/zinc/92/02/82/599920282.db2.gz IUFNFFQDHWWAKZ-UHFFFAOYSA-N -1 3 358.463 3.318 20 0 FGADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCCC2)c1ccnc(Cl)c1 ZINC000823387369 607408362 /nfs/dbraw/zinc/40/83/62/607408362.db2.gz IYILADINDRVNJJ-UHFFFAOYSA-N -1 3 374.857 3.498 20 0 FGADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCCC2)c1ccnc(Cl)c1 ZINC000823387369 607408363 /nfs/dbraw/zinc/40/83/63/607408363.db2.gz IYILADINDRVNJJ-UHFFFAOYSA-N -1 3 374.857 3.498 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)c1nc(C(C)C)ncc1Cl ZINC000826254437 607413931 /nfs/dbraw/zinc/41/39/31/607413931.db2.gz LIQYQPLGJBHNBL-UHFFFAOYSA-N -1 3 372.816 3.099 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)c1nc(C(C)C)ncc1Cl ZINC000826254437 607413933 /nfs/dbraw/zinc/41/39/33/607413933.db2.gz LIQYQPLGJBHNBL-UHFFFAOYSA-N -1 3 372.816 3.099 20 0 FGADHM O=C(NC1(c2cccc(-c3nnn[n-]3)c2)CC1)[C@@H]1CCCc2ccccc21 ZINC000826428210 607416547 /nfs/dbraw/zinc/41/65/47/607416547.db2.gz STBDLWQNXMUBPN-GOSISDBHSA-N -1 3 359.433 3.092 20 0 FGADHM O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)[C@@H]1CCCc2ccccc21 ZINC000826428210 607416549 /nfs/dbraw/zinc/41/65/49/607416549.db2.gz STBDLWQNXMUBPN-GOSISDBHSA-N -1 3 359.433 3.092 20 0 FGADHM CC(=Cc1ccc(F)cc1)C(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000823943804 607418961 /nfs/dbraw/zinc/41/89/61/607418961.db2.gz UJTCDQVGPSNIFA-ACCUITESSA-N -1 3 363.396 3.215 20 0 FGADHM CC(=Cc1ccc(F)cc1)C(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000823943804 607418963 /nfs/dbraw/zinc/41/89/63/607418963.db2.gz UJTCDQVGPSNIFA-ACCUITESSA-N -1 3 363.396 3.215 20 0 FGADHM CC[C@](NCc1cc(=O)oc2cc(OC)ccc12)(C(=O)[O-])c1ccccc1 ZINC000736915414 600127319 /nfs/dbraw/zinc/12/73/19/600127319.db2.gz CTDUYHGFDPISSY-OAQYLSRUSA-N -1 3 367.401 3.281 20 0 FGADHM CC[C@@](NCc1cc(=O)oc2cc(OC)ccc12)(C(=O)[O-])c1ccccc1 ZINC000736915412 600127407 /nfs/dbraw/zinc/12/74/07/600127407.db2.gz CTDUYHGFDPISSY-NRFANRHFSA-N -1 3 367.401 3.281 20 0 FGADHM CC(=CC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1ccc(F)cc1 ZINC000823943383 607423631 /nfs/dbraw/zinc/42/36/31/607423631.db2.gz PJDNXGCYKBGCHP-ACCUITESSA-N -1 3 363.396 3.215 20 0 FGADHM CC(=CC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1ccc(F)cc1 ZINC000823943383 607423632 /nfs/dbraw/zinc/42/36/32/607423632.db2.gz PJDNXGCYKBGCHP-ACCUITESSA-N -1 3 363.396 3.215 20 0 FGADHM Cc1cc(Cl)ccc1C(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826267641 607425924 /nfs/dbraw/zinc/42/59/24/607425924.db2.gz OJCCBICACCZSKD-UHFFFAOYSA-N -1 3 353.813 3.248 20 0 FGADHM Cc1cc(Cl)ccc1C(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826267641 607425926 /nfs/dbraw/zinc/42/59/26/607425926.db2.gz OJCCBICACCZSKD-UHFFFAOYSA-N -1 3 353.813 3.248 20 0 FGADHM O=C(NC1(c2cccc(-c3nnn[n-]3)c2)CC1)[C@@H]1C[C@H]1C1CCCCC1 ZINC000826427839 607426709 /nfs/dbraw/zinc/42/67/09/607426709.db2.gz COVJFQOYBDRQCQ-DLBZAZTESA-N -1 3 351.454 3.188 20 0 FGADHM O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)[C@@H]1C[C@H]1C1CCCCC1 ZINC000826427839 607426710 /nfs/dbraw/zinc/42/67/10/607426710.db2.gz COVJFQOYBDRQCQ-DLBZAZTESA-N -1 3 351.454 3.188 20 0 FGADHM CC(C)Oc1ccc(NC(=O)N2CCCCC[C@H]2C)cc1-c1nnn[n-]1 ZINC000820164061 607428956 /nfs/dbraw/zinc/42/89/56/607428956.db2.gz BRROGJHVEFPDNK-CYBMUJFWSA-N -1 3 358.446 3.450 20 0 FGADHM CC(C)Oc1ccc(NC(=O)N2CCCCC[C@H]2C)cc1-c1nn[n-]n1 ZINC000820164061 607428958 /nfs/dbraw/zinc/42/89/58/607428958.db2.gz BRROGJHVEFPDNK-CYBMUJFWSA-N -1 3 358.446 3.450 20 0 FGADHM C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000736632177 600303197 /nfs/dbraw/zinc/30/31/97/600303197.db2.gz CRKACYWKDPDJSJ-ZENOOKHLSA-N -1 3 364.873 3.092 20 0 FGADHM Cc1ccc(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)cc1-n1cccc1 ZINC000826281151 607437521 /nfs/dbraw/zinc/43/75/21/607437521.db2.gz GSJDORGXBSBCEX-UHFFFAOYSA-N -1 3 358.405 3.242 20 0 FGADHM Cc1ccc(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)cc1-n1cccc1 ZINC000826281151 607437523 /nfs/dbraw/zinc/43/75/23/607437523.db2.gz GSJDORGXBSBCEX-UHFFFAOYSA-N -1 3 358.405 3.242 20 0 FGADHM C[C@@H](CNC(=O)Nc1ccc(CNC(=O)[O-])cc1)N(C)Cc1ccccc1 ZINC000736599258 600356792 /nfs/dbraw/zinc/35/67/92/600356792.db2.gz UCVUKMKCOYGMHH-HNNXBMFYSA-N -1 3 370.453 3.096 20 0 FGADHM O=C([O-])c1cc(NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)ccc1F ZINC000312136020 600389436 /nfs/dbraw/zinc/38/94/36/600389436.db2.gz KMTSWWQFWGUINF-MRXNPFEDSA-N -1 3 371.412 3.310 20 0 FGADHM C[C@H](CSc1ccccc1)C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000824448414 607441652 /nfs/dbraw/zinc/44/16/52/607441652.db2.gz HXVMNCULFDOTGG-CYBMUJFWSA-N -1 3 353.451 3.258 20 0 FGADHM C[C@H](CSc1ccccc1)C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000824448414 607441653 /nfs/dbraw/zinc/44/16/53/607441653.db2.gz HXVMNCULFDOTGG-CYBMUJFWSA-N -1 3 353.451 3.258 20 0 FGADHM O=C([O-])[C@H](NCc1ccc(N2CCCCC2=O)cc1)c1ccc(F)cc1 ZINC000739499370 600428072 /nfs/dbraw/zinc/42/80/72/600428072.db2.gz JCXPKBFFBWCTLW-LJQANCHMSA-N -1 3 356.397 3.258 20 0 FGADHM CSc1ccsc1C(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826231639 607447068 /nfs/dbraw/zinc/44/70/68/607447068.db2.gz TXSJZKKMCJCQQQ-UHFFFAOYSA-N -1 3 357.464 3.069 20 0 FGADHM CSc1ccsc1C(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826231639 607447070 /nfs/dbraw/zinc/44/70/70/607447070.db2.gz TXSJZKKMCJCQQQ-UHFFFAOYSA-N -1 3 357.464 3.069 20 0 FGADHM Cc1ccc2cccc(C(=O)OCc3ccc(-c4nnn[n-]4)cc3C)c2n1 ZINC000826294896 607446407 /nfs/dbraw/zinc/44/64/07/607446407.db2.gz IISBNUPDKHTFMZ-UHFFFAOYSA-N -1 3 359.389 3.389 20 0 FGADHM Cc1ccc2cccc(C(=O)OCc3ccc(-c4nn[n-]n4)cc3C)c2n1 ZINC000826294896 607446409 /nfs/dbraw/zinc/44/64/09/607446409.db2.gz IISBNUPDKHTFMZ-UHFFFAOYSA-N -1 3 359.389 3.389 20 0 FGADHM Cc1ccc([C@@H](C)N[C@@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)cc1C ZINC000738552062 600523100 /nfs/dbraw/zinc/52/31/00/600523100.db2.gz LSXOAMRVMZQWGG-CVEARBPZSA-N -1 3 354.450 3.357 20 0 FGADHM CC(C)[C@@H]1CCCC[C@H]1NC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000824215903 607454869 /nfs/dbraw/zinc/45/48/69/607454869.db2.gz NSOQTTBTTOASCX-DLBZAZTESA-N -1 3 368.485 3.370 20 0 FGADHM CC(C)[C@@H]1CCCC[C@H]1NC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000824215903 607454872 /nfs/dbraw/zinc/45/48/72/607454872.db2.gz NSOQTTBTTOASCX-DLBZAZTESA-N -1 3 368.485 3.370 20 0 FGADHM CCN(CC)[C@H](CNC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)c1ccsc1 ZINC000737085726 600656173 /nfs/dbraw/zinc/65/61/73/600656173.db2.gz RXSNQVDAAGBHPG-IJEWVQPXSA-N -1 3 352.500 3.138 20 0 FGADHM C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1Cc1ccccc1N(C)C ZINC000828493517 600822283 /nfs/dbraw/zinc/82/22/83/600822283.db2.gz GRNQKXVRHHLSGE-INIZCTEOSA-N -1 3 353.466 3.162 20 0 FGADHM Cc1ccc([C@@H]2CCC[C@@H]2N(C)CC(=O)N[C@@H](CC(C)C)C(=O)[O-])cc1 ZINC000832928075 600839253 /nfs/dbraw/zinc/83/92/53/600839253.db2.gz ACYYWQUQNHUDOX-FHWLQOOXSA-N -1 3 360.498 3.178 20 0 FGADHM CCOC(=O)Nc1ccc(NCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000821334019 607475043 /nfs/dbraw/zinc/47/50/43/607475043.db2.gz FBWSZCUDUQULHN-UHFFFAOYSA-N -1 3 356.361 3.186 20 0 FGADHM CCOC(=O)Nc1ccc(NCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000821334019 607475044 /nfs/dbraw/zinc/47/50/44/607475044.db2.gz FBWSZCUDUQULHN-UHFFFAOYSA-N -1 3 356.361 3.186 20 0 FGADHM C[C@H](NCc1ccc(-c2nnn[n-]2)cc1F)c1nc2c(s1)CCCC2 ZINC000820427550 607482045 /nfs/dbraw/zinc/48/20/45/607482045.db2.gz SQZRBRWOCFOMKD-JTQLQIEISA-N -1 3 358.446 3.192 20 0 FGADHM C[C@H](NCc1ccc(-c2nn[n-]n2)cc1F)c1nc2c(s1)CCCC2 ZINC000820427550 607482046 /nfs/dbraw/zinc/48/20/46/607482046.db2.gz SQZRBRWOCFOMKD-JTQLQIEISA-N -1 3 358.446 3.192 20 0 FGADHM Cc1c2cc(F)ccc2oc1CNCc1ccc(-c2nn[n-]n2)cc1F ZINC000822027499 607477900 /nfs/dbraw/zinc/47/79/00/607477900.db2.gz HPITYXIUODSTMY-UHFFFAOYSA-N -1 3 355.348 3.489 20 0 FGADHM CN(C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000388587665 600983772 /nfs/dbraw/zinc/98/37/72/600983772.db2.gz HIMFHESVLKSTLA-QRVBRYPASA-N -1 3 358.482 3.000 20 0 FGADHM CN(C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000388587664 600983806 /nfs/dbraw/zinc/98/38/06/600983806.db2.gz HIMFHESVLKSTLA-GUDVDZBRSA-N -1 3 358.482 3.000 20 0 FGADHM CN(C)C[C@H](NC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1)c1ccccc1 ZINC000830596580 601097340 /nfs/dbraw/zinc/09/73/40/601097340.db2.gz URUWLFMHQQMXPL-SFHVURJKSA-N -1 3 369.465 3.473 20 0 FGADHM Cc1cc(CN2CCC[C@H](c3cc(C(F)(F)F)n[nH]3)C2)oc1C(=O)[O-] ZINC000738383480 601119392 /nfs/dbraw/zinc/11/93/92/601119392.db2.gz ULMKSHCFKCNTPF-JTQLQIEISA-N -1 3 357.332 3.408 20 0 FGADHM O=C([O-])c1cccc(-c2nc(CN3CCN4CCCC[C@@H]4C3)cs2)c1 ZINC000833327066 601171654 /nfs/dbraw/zinc/17/16/54/601171654.db2.gz ZHTYQOMYQOCTDM-QGZVFWFLSA-N -1 3 357.479 3.178 20 0 FGADHM COc1ccc(-c2nc(CN[C@](C)(C(=O)[O-])C3CC3)cs2)cc1OC ZINC000832129632 601174917 /nfs/dbraw/zinc/17/49/17/601174917.db2.gz HBWJIOBBJWKUMV-SFHVURJKSA-N -1 3 362.451 3.170 20 0 FGADHM COc1ccc(-c2nc(CN[C@@](C)(C(=O)[O-])C3CC3)cs2)c(OC)c1 ZINC000832130077 601176115 /nfs/dbraw/zinc/17/61/15/601176115.db2.gz XEBIBPNZKPOKJV-GOSISDBHSA-N -1 3 362.451 3.170 20 0 FGADHM CSc1cccc(NC(=O)CN[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])c1 ZINC000832785984 601203524 /nfs/dbraw/zinc/20/35/24/601203524.db2.gz UQNULCNUJDFXIA-ACJLOTCBSA-N -1 3 358.463 3.399 20 0 FGADHM C[C@@H](CSCc1ccccc1)C(=O)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000820293800 607495603 /nfs/dbraw/zinc/49/56/03/607495603.db2.gz OJHBIZKOFXHFKO-AWEZNQCLSA-N -1 3 368.462 3.479 20 0 FGADHM C[C@@H](CSCc1ccccc1)C(=O)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000820293800 607495606 /nfs/dbraw/zinc/49/56/06/607495606.db2.gz OJHBIZKOFXHFKO-AWEZNQCLSA-N -1 3 368.462 3.479 20 0 FGADHM Cc1ccc2cc(C(=O)N[C@H](C)c3ccc(-c4nnn[n-]4)cc3)ccc2n1 ZINC000822279895 607499529 /nfs/dbraw/zinc/49/95/29/607499529.db2.gz FNLWKPMSIFJEHE-CYBMUJFWSA-N -1 3 358.405 3.214 20 0 FGADHM Cc1ccc2cc(C(=O)N[C@H](C)c3ccc(-c4nn[n-]n4)cc3)ccc2n1 ZINC000822279895 607499531 /nfs/dbraw/zinc/49/95/31/607499531.db2.gz FNLWKPMSIFJEHE-CYBMUJFWSA-N -1 3 358.405 3.214 20 0 FGADHM COc1ccc(CN2CCC[C@H]2c2ccc(F)c(F)c2)cc1-c1nnn[n-]1 ZINC000826194240 607501758 /nfs/dbraw/zinc/50/17/58/607501758.db2.gz GGQGSZSKJOPITH-KRWDZBQOSA-N -1 3 371.391 3.491 20 0 FGADHM Cc1sc(C(=O)[O-])cc1CN1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC000833033070 601636796 /nfs/dbraw/zinc/63/67/96/601636796.db2.gz UHZAODSSJWUODR-CYBMUJFWSA-N -1 3 352.500 3.129 20 0 FGADHM C[C@H](C(=O)[O-])[C@@H](NCC(=O)Nc1nc2ccccc2s1)c1ccccc1 ZINC000826054258 601651497 /nfs/dbraw/zinc/65/14/97/601651497.db2.gz LMYFAAXCFRVHOH-YVEFUNNKSA-N -1 3 369.446 3.286 20 0 FGADHM Cc1ccc(CN(C(=O)CN[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])C2CC2)o1 ZINC000832930181 601654239 /nfs/dbraw/zinc/65/42/39/601654239.db2.gz JNPQQKRYYOYGRX-QRWLVFNGSA-N -1 3 370.449 3.131 20 0 FGADHM C[C@@H](C(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1)c1cccs1 ZINC000825994699 601732326 /nfs/dbraw/zinc/73/23/26/601732326.db2.gz JACNJYJXCBRNLS-FOIQADDNSA-N -1 3 372.490 3.087 20 0 FGADHM O=C([O-])[C@]1(NC(=O)CC2=CCCCC2)CCCN(Cc2ccccc2)C1 ZINC000833095691 601734659 /nfs/dbraw/zinc/73/46/59/601734659.db2.gz QPQNJKSMBHKHKE-NRFANRHFSA-N -1 3 356.466 3.113 20 0 FGADHM C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CCC(CCC(=O)[O-])CC2)C1 ZINC000659395359 601825333 /nfs/dbraw/zinc/82/53/33/601825333.db2.gz MGMHAKQCHSGQDK-QFBILLFUSA-N -1 3 373.497 3.108 20 0 FGADHM O=C([O-])CCC1CCN(CC(=O)N2CCC(Cc3ccccc3)CC2)CC1 ZINC000662219338 601843119 /nfs/dbraw/zinc/84/31/19/601843119.db2.gz SNPBHPZKALCKBJ-UHFFFAOYSA-N -1 3 372.509 3.045 20 0 FGADHM C[C@H](C(=O)Nc1ccccc1Cc1ccccc1)N1CC[C@](C)(C(=O)[O-])C1 ZINC000826021014 601929503 /nfs/dbraw/zinc/92/95/03/601929503.db2.gz KKZRNGDEMZCUBW-ZHRRBRCNSA-N -1 3 366.461 3.401 20 0 FGADHM CN(C(=O)[O-])[C@H]1CCCN(CCC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000739585192 601972621 /nfs/dbraw/zinc/97/26/21/601972621.db2.gz NSHSQAGKGBXPHD-LBPRGKRZSA-N -1 3 374.268 3.396 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)CC[C@H](C)c1ccccc1 ZINC000826185455 607537630 /nfs/dbraw/zinc/53/76/30/607537630.db2.gz KPEQMHJCGXSJSK-ZDUSSCGKSA-N -1 3 351.410 3.398 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)CC[C@H](C)c1ccccc1 ZINC000826185455 607537631 /nfs/dbraw/zinc/53/76/31/607537631.db2.gz KPEQMHJCGXSJSK-ZDUSSCGKSA-N -1 3 351.410 3.398 20 0 FGADHM COc1ccccc1[C@H](CNCc1cnc2ccccc2c1)NC(=O)[O-] ZINC000739963519 602050924 /nfs/dbraw/zinc/05/09/24/602050924.db2.gz NLEYHIGDFNJWMJ-SFHVURJKSA-N -1 3 351.406 3.342 20 0 FGADHM CC[C@@](C)(CC(=O)[O-])NCc1csc(-c2cccc(C(=O)OC)c2)n1 ZINC000828672174 602218385 /nfs/dbraw/zinc/21/83/85/602218385.db2.gz OGYTXJANOBWSOS-SFHVURJKSA-N -1 3 362.451 3.330 20 0 FGADHM CCOC(=O)c1c(C)c2ccccc2nc1CN[C@H](C(=O)[O-])C(C)(C)C ZINC000829874002 602224748 /nfs/dbraw/zinc/22/47/48/602224748.db2.gz YQHUWHRPDJACDB-QGZVFWFLSA-N -1 3 358.438 3.309 20 0 FGADHM Cc1nc([C@@H]2CCCN([C@@H](C(=O)[O-])c3ccc(Cl)cc3Cl)C2)n[nH]1 ZINC000832997052 602234368 /nfs/dbraw/zinc/23/43/68/602234368.db2.gz OAIMEPGOFRATHG-QMTHXVAHSA-N -1 3 369.252 3.425 20 0 FGADHM Cc1n[nH]c([C@@H]2CCCN([C@@H](C(=O)[O-])c3ccc(Cl)cc3Cl)C2)n1 ZINC000832997052 602234369 /nfs/dbraw/zinc/23/43/69/602234369.db2.gz OAIMEPGOFRATHG-QMTHXVAHSA-N -1 3 369.252 3.425 20 0 FGADHM C[C@@H](NC(=O)[O-])[C@@H]1CCCCN1Cc1ccc(OCc2nccn2C)cc1 ZINC000739005005 602259904 /nfs/dbraw/zinc/25/99/04/602259904.db2.gz VENMFQFJYVVPHW-QAPCUYQASA-N -1 3 372.469 3.010 20 0 FGADHM C[C@](NCc1cnc2ccccn12)(C(=O)[O-])c1cccc(Br)c1 ZINC000827742000 602326819 /nfs/dbraw/zinc/32/68/19/602326819.db2.gz ZEZPUHBDSNZNHG-QGZVFWFLSA-N -1 3 374.238 3.186 20 0 FGADHM Cc1cc(NC(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)ccc1C(=O)[O-] ZINC000380795060 602364028 /nfs/dbraw/zinc/36/40/28/602364028.db2.gz XIUTVAMGASQOOZ-SFHVURJKSA-N -1 3 367.449 3.431 20 0 FGADHM COc1cc(CN2CCC([C@@H](C)NC(=O)[O-])CC2)ccc1OC(F)F ZINC000739860035 602463957 /nfs/dbraw/zinc/46/39/57/602463957.db2.gz MUMMIULJXCJCRT-LLVKDONJSA-N -1 3 358.385 3.165 20 0 FGADHM O=C([O-])N1CC[C@H](NCc2cc3ccccc3nc2N2CCCCC2)C1 ZINC000740505564 602878425 /nfs/dbraw/zinc/87/84/25/602878425.db2.gz NTRLKXSJJZUBAF-KRWDZBQOSA-N -1 3 354.454 3.067 20 0 FGADHM COc1ccc(COC(=O)C[C@H](C)c2ccccc2)cc1-c1nnn[n-]1 ZINC000826205484 607593419 /nfs/dbraw/zinc/59/34/19/607593419.db2.gz XXPLDTGVORZWGD-ZDUSSCGKSA-N -1 3 352.394 3.112 20 0 FGADHM COc1ccc(COC(=O)C[C@H](C)c2ccccc2)cc1-c1nn[n-]n1 ZINC000826205484 607593420 /nfs/dbraw/zinc/59/34/20/607593420.db2.gz XXPLDTGVORZWGD-ZDUSSCGKSA-N -1 3 352.394 3.112 20 0 FGADHM COc1ccc(COC(=O)c2cc3cccc(F)c3o2)cc1-c1nnn[n-]1 ZINC000826206002 607610020 /nfs/dbraw/zinc/61/00/20/607610020.db2.gz YBLDDAXOGFBWNA-UHFFFAOYSA-N -1 3 368.324 3.118 20 0 FGADHM COc1ccc(COC(=O)c2cc3cccc(F)c3o2)cc1-c1nn[n-]n1 ZINC000826206002 607610022 /nfs/dbraw/zinc/61/00/22/607610022.db2.gz YBLDDAXOGFBWNA-UHFFFAOYSA-N -1 3 368.324 3.118 20 0 FGADHM C[C@H](C(=O)NCc1ccccc1CN(C)C)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823704278 603245633 /nfs/dbraw/zinc/24/56/33/603245633.db2.gz ROUAHVATEOWRDJ-KXBFYZLASA-N -1 3 369.465 3.009 20 0 FGADHM CC(C)(C)CCN1CCN(C(=O)Nc2cccc(CNC(=O)[O-])c2)CC1 ZINC000738697570 603322818 /nfs/dbraw/zinc/32/28/18/603322818.db2.gz WINCPEXVDDBQDS-UHFFFAOYSA-N -1 3 362.474 3.040 20 0 FGADHM CN(C)[C@@H](CNC(=O)Nc1cccc(CN(C)C(=O)[O-])c1)c1ccccc1 ZINC000739713520 603360159 /nfs/dbraw/zinc/36/01/59/603360159.db2.gz MPQMPNGBAFIUOM-SFHVURJKSA-N -1 3 370.453 3.221 20 0 FGADHM CN(Cc1ccc(C(=O)Nc2ccccc2)cc1)[C@H]1CCN(C(=O)[O-])C1 ZINC000828354916 603492867 /nfs/dbraw/zinc/49/28/67/603492867.db2.gz FDVFNXWZXIIOER-SFHVURJKSA-N -1 3 353.422 3.123 20 0 FGADHM CC1CCN([C@H](CNC(=O)[C@H]2CC[C@H](NC(=O)[O-])C2)c2ccccc2)CC1 ZINC000825945762 603508102 /nfs/dbraw/zinc/50/81/02/603508102.db2.gz ZMVJUHWQBDEHJV-GBESFXJTSA-N -1 3 373.497 3.012 20 0 FGADHM O=C([O-])Nc1ccc(CNCCNc2ncc(Cl)cc2Cl)cn1 ZINC000832842157 603558365 /nfs/dbraw/zinc/55/83/65/603558365.db2.gz OYYQDKGEEHBPAQ-UHFFFAOYSA-N -1 3 356.213 3.075 20 0 FGADHM Cc1ccccc1NC(=S)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826307714 607648399 /nfs/dbraw/zinc/64/83/99/607648399.db2.gz UHKQMYRMZYFGBQ-UHFFFAOYSA-N -1 3 350.451 3.151 20 0 FGADHM Cc1ccccc1NC(=S)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826307714 607648401 /nfs/dbraw/zinc/64/84/01/607648401.db2.gz UHKQMYRMZYFGBQ-UHFFFAOYSA-N -1 3 350.451 3.151 20 0 FGADHM Cc1ccc([C@H](CNC(=O)CC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])N(C)C)cc1 ZINC000830255747 603864373 /nfs/dbraw/zinc/86/43/73/603864373.db2.gz FCZIMSPOUZUGKD-DQXYTYHJSA-N -1 3 373.497 3.025 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCC[C@H]1c1cccc(F)c1 ZINC000826245003 607666736 /nfs/dbraw/zinc/66/67/36/607666736.db2.gz KVNAGFXMWZGCJQ-KRWDZBQOSA-N -1 3 351.385 3.292 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCC[C@H]1c1cccc(F)c1 ZINC000826245003 607666738 /nfs/dbraw/zinc/66/67/38/607666738.db2.gz KVNAGFXMWZGCJQ-KRWDZBQOSA-N -1 3 351.385 3.292 20 0 FGADHM O=C([O-])N1CCC[C@@H]1[C@H]1CCCN(C[C@@H](O)c2cccc(Cl)c2)C1 ZINC000832004088 604038737 /nfs/dbraw/zinc/03/87/37/604038737.db2.gz CRXAQXGMKZLGMU-USXIJHARSA-N -1 3 352.862 3.228 20 0 FGADHM CCCCCc1nnc(NC(=O)c2ccc(-c3nnn[n-]3)cc2C)s1 ZINC000825276290 607668422 /nfs/dbraw/zinc/66/84/22/607668422.db2.gz UUIBTHHHETVIJQ-UHFFFAOYSA-N -1 3 357.443 3.012 20 0 FGADHM CCCCCc1nnc(NC(=O)c2ccc(-c3nn[n-]n3)cc2C)s1 ZINC000825276290 607668423 /nfs/dbraw/zinc/66/84/23/607668423.db2.gz UUIBTHHHETVIJQ-UHFFFAOYSA-N -1 3 357.443 3.012 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@@H]1CCc2c1cccc2Cl ZINC000826248063 607670671 /nfs/dbraw/zinc/67/06/71/607670671.db2.gz VJCOSHQRJSPYOJ-MRXNPFEDSA-N -1 3 353.813 3.246 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@@H]1CCc2c1cccc2Cl ZINC000826248063 607670673 /nfs/dbraw/zinc/67/06/73/607670673.db2.gz VJCOSHQRJSPYOJ-MRXNPFEDSA-N -1 3 353.813 3.246 20 0 FGADHM FC(F)(F)c1ccc(N2CCC[C@@H]([C@H]3CCOC3)C2)c(-c2nnn[n-]2)c1 ZINC000826368090 607682048 /nfs/dbraw/zinc/68/20/48/607682048.db2.gz BLTHVVRCBLPGOC-NEPJUHHUSA-N -1 3 367.375 3.138 20 0 FGADHM FC(F)(F)c1ccc(N2CCC[C@@H]([C@H]3CCOC3)C2)c(-c2nn[n-]n2)c1 ZINC000826368090 607682049 /nfs/dbraw/zinc/68/20/49/607682049.db2.gz BLTHVVRCBLPGOC-NEPJUHHUSA-N -1 3 367.375 3.138 20 0 FGADHM Cc1cc([C@H](C)N2CCC(C(=O)Nc3ccc(C)cn3)CC2)oc1C(=O)[O-] ZINC000832942206 604385019 /nfs/dbraw/zinc/38/50/19/604385019.db2.gz WAZRMLINEQJPDH-AWEZNQCLSA-N -1 3 371.437 3.401 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(CCc1ccc(F)cc1)C1CC1 ZINC000826244585 607692490 /nfs/dbraw/zinc/69/24/90/607692490.db2.gz XTMCQDGSKBVTIF-UHFFFAOYSA-N -1 3 365.412 3.162 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(CCc1ccc(F)cc1)C1CC1 ZINC000826244585 607692493 /nfs/dbraw/zinc/69/24/93/607692493.db2.gz XTMCQDGSKBVTIF-UHFFFAOYSA-N -1 3 365.412 3.162 20 0 FGADHM O=S(=O)(Cc1ccc(-c2nnn[n-]2)cc1)[C@H]1CCc2c1cccc2Cl ZINC000826485939 607692792 /nfs/dbraw/zinc/69/27/92/607692792.db2.gz JFTZNABOOFKBNM-INIZCTEOSA-N -1 3 374.853 3.122 20 0 FGADHM O=S(=O)(Cc1ccc(-c2nn[n-]n2)cc1)[C@H]1CCc2c1cccc2Cl ZINC000826485939 607692793 /nfs/dbraw/zinc/69/27/93/607692793.db2.gz JFTZNABOOFKBNM-INIZCTEOSA-N -1 3 374.853 3.122 20 0 FGADHM CCOCc1cc(CN2Cc3ccccc3C[C@@H]2C(=O)[O-])ccc1OC ZINC000830021865 604466972 /nfs/dbraw/zinc/46/69/72/604466972.db2.gz MWPFYJZSTSLIPP-LJQANCHMSA-N -1 3 355.434 3.243 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Cc1cccc(CC)c1 ZINC000825318600 607694958 /nfs/dbraw/zinc/69/49/58/607694958.db2.gz RBGZTQBGMAHFHN-UHFFFAOYSA-N -1 3 363.465 3.410 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Cc1cccc(CC)c1 ZINC000825318600 607694959 /nfs/dbraw/zinc/69/49/59/607694959.db2.gz RBGZTQBGMAHFHN-UHFFFAOYSA-N -1 3 363.465 3.410 20 0 FGADHM O=C([O-])c1csc(NC(=O)NC[C@H](c2cccs2)N2CCCC2)c1 ZINC000833135093 604512331 /nfs/dbraw/zinc/51/23/31/604512331.db2.gz UDOJTXXBUFARAF-GFCCVEGCSA-N -1 3 365.480 3.466 20 0 FGADHM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(c1ccccc1)c1ccccc1 ZINC000824514985 607696405 /nfs/dbraw/zinc/69/64/05/607696405.db2.gz RCCRGOGPCIPVTL-CQSZACIVSA-N -1 3 372.432 3.145 20 0 FGADHM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(c1ccccc1)c1ccccc1 ZINC000824514985 607696407 /nfs/dbraw/zinc/69/64/07/607696407.db2.gz RCCRGOGPCIPVTL-CQSZACIVSA-N -1 3 372.432 3.145 20 0 FGADHM O=C(c1ccc(-c2nnn[n-]2)[nH]1)N(Cc1cccs1)Cc1cccs1 ZINC000826470971 607697374 /nfs/dbraw/zinc/69/73/74/607697374.db2.gz JOUWTDRFFZGMTR-UHFFFAOYSA-N -1 3 370.463 3.160 20 0 FGADHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N(Cc1cccs1)Cc1cccs1 ZINC000826470971 607697375 /nfs/dbraw/zinc/69/73/75/607697375.db2.gz JOUWTDRFFZGMTR-UHFFFAOYSA-N -1 3 370.463 3.160 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@@H](C1CCCC1)C(F)(F)F ZINC000826246307 607701836 /nfs/dbraw/zinc/70/18/36/607701836.db2.gz AGUULZCAFRRRAY-ZDUSSCGKSA-N -1 3 353.348 3.026 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@@H](C1CCCC1)C(F)(F)F ZINC000826246307 607701837 /nfs/dbraw/zinc/70/18/37/607701837.db2.gz AGUULZCAFRRRAY-ZDUSSCGKSA-N -1 3 353.348 3.026 20 0 FGADHM c1coc(-c2nc(CNC3(c4cccc(-c5nnn[n-]5)c4)CC3)cs2)c1 ZINC000826513189 607705093 /nfs/dbraw/zinc/70/50/93/607705093.db2.gz CXXSRWIOZWDEJC-UHFFFAOYSA-N -1 3 364.434 3.362 20 0 FGADHM c1coc(-c2nc(CNC3(c4cccc(-c5nn[n-]n5)c4)CC3)cs2)c1 ZINC000826513189 607705094 /nfs/dbraw/zinc/70/50/94/607705094.db2.gz CXXSRWIOZWDEJC-UHFFFAOYSA-N -1 3 364.434 3.362 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000826247250 607707260 /nfs/dbraw/zinc/70/72/60/607707260.db2.gz XYGHOGUALCDCQN-MRXNPFEDSA-N -1 3 363.421 3.207 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000826247250 607707261 /nfs/dbraw/zinc/70/72/61/607707261.db2.gz XYGHOGUALCDCQN-MRXNPFEDSA-N -1 3 363.421 3.207 20 0 FGADHM CC[C@H](C)OCC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000825074660 607708443 /nfs/dbraw/zinc/70/84/43/607708443.db2.gz JFUAJUWPEYLYSF-ZDUSSCGKSA-N -1 3 367.409 3.413 20 0 FGADHM CC[C@H](C)OCC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825074660 607708445 /nfs/dbraw/zinc/70/84/45/607708445.db2.gz JFUAJUWPEYLYSF-ZDUSSCGKSA-N -1 3 367.409 3.413 20 0 FGADHM CN(c1nc(Cl)c(C(=O)[O-])s1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000381893931 604831175 /nfs/dbraw/zinc/83/11/75/604831175.db2.gz SZVANNYGKHFWJM-GFCCVEGCSA-N -1 3 351.859 3.205 20 0 FGADHM O=C(c1ccc(-c2nnn[n-]2)[nH]1)N(Cc1ccccc1Cl)C1CCCC1 ZINC000826470975 607725707 /nfs/dbraw/zinc/72/57/07/607725707.db2.gz JQQODMANGRKIDO-UHFFFAOYSA-N -1 3 370.844 3.433 20 0 FGADHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N(Cc1ccccc1Cl)C1CCCC1 ZINC000826470975 607725709 /nfs/dbraw/zinc/72/57/09/607725709.db2.gz JQQODMANGRKIDO-UHFFFAOYSA-N -1 3 370.844 3.433 20 0 FGADHM C[C@H](c1ccc(C(=O)[O-])o1)N1C[C@H](CNC(=O)OC(C)(C)C)C[C@H]1C ZINC000833596377 605049683 /nfs/dbraw/zinc/04/96/83/605049683.db2.gz NALFNVHPZUJAAK-UPJWGTAASA-N -1 3 352.431 3.274 20 0 FGADHM Cc1c(NC(=O)N[C@H](C)CN(C)Cc2ccccc2)cccc1C(=O)[O-] ZINC000388344665 605057446 /nfs/dbraw/zinc/05/74/46/605057446.db2.gz YUKCDQSBXINSQV-CQSZACIVSA-N -1 3 355.438 3.335 20 0 FGADHM CC[C@H](NCc1ccc(C(=O)[O-])o1)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000833643762 605121118 /nfs/dbraw/zinc/12/11/18/605121118.db2.gz GLKLRJOSJQLBOV-WMZOPIPTSA-N -1 3 354.410 3.036 20 0 FGADHM CC(C)(C(=O)[O-])[C@H](NCC(=O)Nc1cc(F)ccc1F)c1ccccc1 ZINC000833412013 605176628 /nfs/dbraw/zinc/17/66/28/605176628.db2.gz GDWPCNFLUCLQQD-QGZVFWFLSA-N -1 3 362.376 3.345 20 0 FGADHM O=C(Nc1ccc(OC2CCCCC2)cc1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826454706 607739990 /nfs/dbraw/zinc/73/99/90/607739990.db2.gz IAMGLMSXSUQTKP-UHFFFAOYSA-N -1 3 352.398 3.159 20 0 FGADHM O=C(Nc1ccc(OC2CCCCC2)cc1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826454706 607739991 /nfs/dbraw/zinc/73/99/91/607739991.db2.gz IAMGLMSXSUQTKP-UHFFFAOYSA-N -1 3 352.398 3.159 20 0 FGADHM Cc1cccc([C@@H]2CCCCCN2C(=O)c2ccc(-c3nnn[n-]3)[nH]2)c1 ZINC000826297762 607740668 /nfs/dbraw/zinc/74/06/68/607740668.db2.gz QXXKOXREORGREY-KRWDZBQOSA-N -1 3 350.426 3.261 20 0 FGADHM Cc1cccc([C@@H]2CCCCCN2C(=O)c2ccc(-c3nn[n-]n3)[nH]2)c1 ZINC000826297762 607740669 /nfs/dbraw/zinc/74/06/69/607740669.db2.gz QXXKOXREORGREY-KRWDZBQOSA-N -1 3 350.426 3.261 20 0 FGADHM CC(C)C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1ccc(Cl)cc1 ZINC000824236462 607741935 /nfs/dbraw/zinc/74/19/35/607741935.db2.gz NYZCVCNYTURZNS-HNNXBMFYSA-N -1 3 358.833 3.365 20 0 FGADHM CC(C)C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1ccc(Cl)cc1 ZINC000824236462 607741936 /nfs/dbraw/zinc/74/19/36/607741936.db2.gz NYZCVCNYTURZNS-HNNXBMFYSA-N -1 3 358.833 3.365 20 0 FGADHM Cc1cccc([C@@H]2CC(=O)N(CN3CCC[C@@H](C(C)(C)C(=O)[O-])C3)C2)c1 ZINC000833752358 605346612 /nfs/dbraw/zinc/34/66/12/605346612.db2.gz HVYYIJSLLNBRFR-QZTJIDSGSA-N -1 3 358.482 3.091 20 0 FGADHM CC(C)[C@H](N[C@H](C)C[C@@H]1CCCN1C(=O)[O-])c1nc(-c2ccncc2)no1 ZINC000824768786 605497412 /nfs/dbraw/zinc/49/74/12/605497412.db2.gz QIMWDYAWTMPEPX-KBMXLJTQSA-N -1 3 373.457 3.339 20 0 FGADHM CCCCCCC(=O)Nc1ccc(NC(=O)OCC)c(-c2nnn[n-]2)c1 ZINC000825267963 607759817 /nfs/dbraw/zinc/75/98/17/607759817.db2.gz OMZYHYPHSXPYHU-UHFFFAOYSA-N -1 3 360.418 3.344 20 0 FGADHM CCCCCCC(=O)Nc1ccc(NC(=O)OCC)c(-c2nn[n-]n2)c1 ZINC000825267963 607759818 /nfs/dbraw/zinc/75/98/18/607759818.db2.gz OMZYHYPHSXPYHU-UHFFFAOYSA-N -1 3 360.418 3.344 20 0 FGADHM CCOC(=O)Nc1ccc(NC(=O)[C@H](C)C2CCCC2)cc1-c1nnn[n-]1 ZINC000825523287 607760704 /nfs/dbraw/zinc/76/07/04/607760704.db2.gz PJJJMGWGMQIADP-LLVKDONJSA-N -1 3 372.429 3.200 20 0 FGADHM CCOC(=O)Nc1ccc(NC(=O)[C@H](C)C2CCCC2)cc1-c1nn[n-]n1 ZINC000825523287 607760705 /nfs/dbraw/zinc/76/07/05/607760705.db2.gz PJJJMGWGMQIADP-LLVKDONJSA-N -1 3 372.429 3.200 20 0 FGADHM CS[C@H](C)CNC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826225371 607764005 /nfs/dbraw/zinc/76/40/05/607764005.db2.gz AHNICQUMJRKRFQ-GFCCVEGCSA-N -1 3 369.450 3.140 20 0 FGADHM CS[C@H](C)CNC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826225371 607764006 /nfs/dbraw/zinc/76/40/06/607764006.db2.gz AHNICQUMJRKRFQ-GFCCVEGCSA-N -1 3 369.450 3.140 20 0 FGADHM O=C([O-])NC1C[C@H]2CCC[C@@H](C1)N2Cc1cnc(-c2ccncc2)s1 ZINC000834161567 605609267 /nfs/dbraw/zinc/60/92/67/605609267.db2.gz BAGCGFBAIRENLT-GOOCMWNKSA-N -1 3 358.467 3.358 20 0 FGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)Nc1cccc2ccsc21 ZINC000826440807 607768483 /nfs/dbraw/zinc/76/84/83/607768483.db2.gz BCSRSXSBLRNONL-UHFFFAOYSA-N -1 3 350.407 3.403 20 0 FGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)Nc1cccc2ccsc21 ZINC000826440807 607768484 /nfs/dbraw/zinc/76/84/84/607768484.db2.gz BCSRSXSBLRNONL-UHFFFAOYSA-N -1 3 350.407 3.403 20 0 FGADHM Cc1cc(C(=O)N2C[C@@H](N(C)C)Cc3ccccc32)ccc1NC(=O)[O-] ZINC000829919658 605685998 /nfs/dbraw/zinc/68/59/98/605685998.db2.gz QDIYREUTLKVISY-INIZCTEOSA-N -1 3 353.422 3.218 20 0 FGADHM COc1cc([C@H](C)Nc2ccc(-c3nnn[n-]3)nc2)ccc1OC(C)C ZINC000821708693 606043055 /nfs/dbraw/zinc/04/30/55/606043055.db2.gz WJOBJAJRIYVJHN-LBPRGKRZSA-N -1 3 354.414 3.231 20 0 FGADHM COc1cc([C@H](C)Nc2ccc(-c3nn[n-]n3)nc2)ccc1OC(C)C ZINC000821708693 606043061 /nfs/dbraw/zinc/04/30/61/606043061.db2.gz WJOBJAJRIYVJHN-LBPRGKRZSA-N -1 3 354.414 3.231 20 0 FGADHM c1ccc(N2CC[C@@H](Nc3nc4ccccc4cc3-c3nnn[n-]3)C2)cc1 ZINC000823787991 606081519 /nfs/dbraw/zinc/08/15/19/606081519.db2.gz SGDZSPYPBKTWJI-OAHLLOKOSA-N -1 3 357.421 3.106 20 0 FGADHM c1ccc(N2CC[C@@H](Nc3nc4ccccc4cc3-c3nn[n-]n3)C2)cc1 ZINC000823787991 606081523 /nfs/dbraw/zinc/08/15/23/606081523.db2.gz SGDZSPYPBKTWJI-OAHLLOKOSA-N -1 3 357.421 3.106 20 0 FGADHM C[C@H]1c2ccccc2CN1C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000820827031 606104378 /nfs/dbraw/zinc/10/43/78/606104378.db2.gz QAQLJMCLULQHCQ-LBPRGKRZSA-N -1 3 351.435 3.062 20 0 FGADHM C[C@H]1c2ccccc2CN1C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000820827031 606104380 /nfs/dbraw/zinc/10/43/80/606104380.db2.gz QAQLJMCLULQHCQ-LBPRGKRZSA-N -1 3 351.435 3.062 20 0 FGADHM O=C([O-])N1CC[C@@]2(C1)C[C@H](N[C@@H]1CCC(F)(F)C1)c1ccccc1O2 ZINC000834087077 606106454 /nfs/dbraw/zinc/10/64/54/606106454.db2.gz QYRGYSGSYWHVTB-IFIJOSMWSA-N -1 3 352.381 3.410 20 0 FGADHM CN(Cc1cc2ccccc2o1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000821608361 606115855 /nfs/dbraw/zinc/11/58/55/606115855.db2.gz CXZKTCKZMYPXGX-UHFFFAOYSA-N -1 3 366.356 3.416 20 0 FGADHM CN(Cc1cc2ccccc2o1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821608361 606115857 /nfs/dbraw/zinc/11/58/57/606115857.db2.gz CXZKTCKZMYPXGX-UHFFFAOYSA-N -1 3 366.356 3.416 20 0 FGADHM CC1(C)CCC[C@@H]1NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000820589623 606119995 /nfs/dbraw/zinc/11/99/95/606119995.db2.gz JHSWWFNJSWDKIF-INIZCTEOSA-N -1 3 357.458 3.111 20 0 FGADHM CC1(C)CCC[C@@H]1NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000820589623 606119996 /nfs/dbraw/zinc/11/99/96/606119996.db2.gz JHSWWFNJSWDKIF-INIZCTEOSA-N -1 3 357.458 3.111 20 0 FGADHM COc1csc(C(=O)N(CC(C)C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821911010 606122582 /nfs/dbraw/zinc/12/25/82/606122582.db2.gz LNAMTFKEQZLVJT-UHFFFAOYSA-N -1 3 357.439 3.240 20 0 FGADHM COc1csc(C(=O)N(CC(C)C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821911010 606122583 /nfs/dbraw/zinc/12/25/83/606122583.db2.gz LNAMTFKEQZLVJT-UHFFFAOYSA-N -1 3 357.439 3.240 20 0 FGADHM c1ccc2c(c1)CCC[C@H]2OCCCNc1ccc(-c2nnn[n-]2)nc1 ZINC000823796707 606125667 /nfs/dbraw/zinc/12/56/67/606125667.db2.gz DYKPTCXCEFJBQB-GOSISDBHSA-N -1 3 350.426 3.158 20 0 FGADHM c1ccc2c(c1)CCC[C@H]2OCCCNc1ccc(-c2nn[n-]n2)nc1 ZINC000823796707 606125669 /nfs/dbraw/zinc/12/56/69/606125669.db2.gz DYKPTCXCEFJBQB-GOSISDBHSA-N -1 3 350.426 3.158 20 0 FGADHM C[C@@H]1[C@@H](Cc2ccccc2)CCN1c1ncc(-c2nnn[n-]2)cc1Cl ZINC000820641516 606138484 /nfs/dbraw/zinc/13/84/84/606138484.db2.gz CWSMSTLPJWCTIJ-TZMCWYRMSA-N -1 3 354.845 3.373 20 0 FGADHM C[C@@H]1[C@@H](Cc2ccccc2)CCN1c1ncc(-c2nn[n-]n2)cc1Cl ZINC000820641516 606138486 /nfs/dbraw/zinc/13/84/86/606138486.db2.gz CWSMSTLPJWCTIJ-TZMCWYRMSA-N -1 3 354.845 3.373 20 0 FGADHM Cc1cccn2cc(CCNc3cc(-c4nnn[n-]4)c4ccccc4n3)nc12 ZINC000822366643 606139213 /nfs/dbraw/zinc/13/92/13/606139213.db2.gz QNAARPYZIMRVSP-UHFFFAOYSA-N -1 3 370.420 3.026 20 0 FGADHM Cc1cccn2cc(CCNc3cc(-c4nn[n-]n4)c4ccccc4n3)nc12 ZINC000822366643 606139215 /nfs/dbraw/zinc/13/92/15/606139215.db2.gz QNAARPYZIMRVSP-UHFFFAOYSA-N -1 3 370.420 3.026 20 0 FGADHM CC[C@H](Oc1cccc(C)c1)C(=O)OCc1ccccc1-c1nnn[n-]1 ZINC000820937865 606140463 /nfs/dbraw/zinc/14/04/63/606140463.db2.gz FCWRUBXYYSAGDU-KRWDZBQOSA-N -1 3 352.394 3.076 20 0 FGADHM CC[C@H](Oc1cccc(C)c1)C(=O)OCc1ccccc1-c1nn[n-]n1 ZINC000820937865 606140464 /nfs/dbraw/zinc/14/04/64/606140464.db2.gz FCWRUBXYYSAGDU-KRWDZBQOSA-N -1 3 352.394 3.076 20 0 FGADHM O=C(C/C=C\c1ccc(F)cc1)OCCOc1ccccc1-c1nnn[n-]1 ZINC000822945687 606148214 /nfs/dbraw/zinc/14/82/14/606148214.db2.gz NTQHGRPUNCHVDH-ARJAWSKDSA-N -1 3 368.368 3.031 20 0 FGADHM O=C(C/C=C\c1ccc(F)cc1)OCCOc1ccccc1-c1nn[n-]n1 ZINC000822945687 606148216 /nfs/dbraw/zinc/14/82/16/606148216.db2.gz NTQHGRPUNCHVDH-ARJAWSKDSA-N -1 3 368.368 3.031 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C/C=C\c1ccc(F)cc1 ZINC000821406568 606150702 /nfs/dbraw/zinc/15/07/02/606150702.db2.gz IDUUXEWVEJQUMU-ARJAWSKDSA-N -1 3 367.384 3.447 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C/C=C\c1ccc(F)cc1 ZINC000821406568 606150703 /nfs/dbraw/zinc/15/07/03/606150703.db2.gz IDUUXEWVEJQUMU-ARJAWSKDSA-N -1 3 367.384 3.447 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)C/C=C/c1ccc(F)cc1 ZINC000821699487 606151187 /nfs/dbraw/zinc/15/11/87/606151187.db2.gz RSHVZURLNQJCPQ-NSCUHMNNSA-N -1 3 354.341 3.023 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)C/C=C/c1ccc(F)cc1 ZINC000821699487 606151188 /nfs/dbraw/zinc/15/11/88/606151188.db2.gz RSHVZURLNQJCPQ-NSCUHMNNSA-N -1 3 354.341 3.023 20 0 FGADHM CO[C@H](C)c1nc(CN(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)cs1 ZINC000821675601 606159913 /nfs/dbraw/zinc/15/99/13/606159913.db2.gz PCUYNCHCUXEOTR-GFCCVEGCSA-N -1 3 370.482 3.195 20 0 FGADHM CO[C@H](C)c1nc(CN(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)cs1 ZINC000821675601 606159915 /nfs/dbraw/zinc/15/99/15/606159915.db2.gz PCUYNCHCUXEOTR-GFCCVEGCSA-N -1 3 370.482 3.195 20 0 FGADHM CCc1cnc(CN(C)c2cc(-c3nnn[n-]3)c3ccccc3n2)s1 ZINC000821497239 606164326 /nfs/dbraw/zinc/16/43/26/606164326.db2.gz REJBCMHZHXAFRH-UHFFFAOYSA-N -1 3 351.439 3.070 20 0 FGADHM CCc1cnc(CN(C)c2cc(-c3nn[n-]n3)c3ccccc3n2)s1 ZINC000821497239 606164327 /nfs/dbraw/zinc/16/43/27/606164327.db2.gz REJBCMHZHXAFRH-UHFFFAOYSA-N -1 3 351.439 3.070 20 0 FGADHM CC[C@@H]1CCCCN1C(=O)CS[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820978815 606179858 /nfs/dbraw/zinc/17/98/58/606179858.db2.gz CZSUIAGLQGHMCZ-CZUORRHYSA-N -1 3 359.499 3.452 20 0 FGADHM CC[C@@H]1CCCCN1C(=O)CS[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820978815 606179859 /nfs/dbraw/zinc/17/98/59/606179859.db2.gz CZSUIAGLQGHMCZ-CZUORRHYSA-N -1 3 359.499 3.452 20 0 FGADHM Cc1ccc(CCCC(=O)OCCOc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000822236155 606194522 /nfs/dbraw/zinc/19/45/22/606194522.db2.gz LZDVOVZMMNDPIY-UHFFFAOYSA-N -1 3 372.450 3.182 20 0 FGADHM c1ccc2[nH]c(CCCNc3cc(-c4nnn[n-]4)c4ccccc4n3)nc2c1 ZINC000823791631 606216092 /nfs/dbraw/zinc/21/60/92/606216092.db2.gz GKFQWOOEWFFSTR-UHFFFAOYSA-N -1 3 370.420 3.336 20 0 FGADHM c1ccc2[nH]c(CCCNc3cc(-c4nn[n-]n4)c4ccccc4n3)nc2c1 ZINC000823791631 606216094 /nfs/dbraw/zinc/21/60/94/606216094.db2.gz GKFQWOOEWFFSTR-UHFFFAOYSA-N -1 3 370.420 3.336 20 0 FGADHM c1sc(CNc2ccc(OCC3CCOCC3)cc2)cc1-c1nnn[n-]1 ZINC000823762712 606222130 /nfs/dbraw/zinc/22/21/30/606222130.db2.gz UECOWKSBVZGPJS-UHFFFAOYSA-N -1 3 371.466 3.346 20 0 FGADHM c1sc(CNc2ccc(OCC3CCOCC3)cc2)cc1-c1nn[n-]n1 ZINC000823762712 606222132 /nfs/dbraw/zinc/22/21/32/606222132.db2.gz UECOWKSBVZGPJS-UHFFFAOYSA-N -1 3 371.466 3.346 20 0 FGADHM CC(C)(C)n1ncc2c1CCC[C@@H]2Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000819975881 606224101 /nfs/dbraw/zinc/22/41/01/606224101.db2.gz DXHKOMOYNJJYOS-AWEZNQCLSA-N -1 3 355.421 3.447 20 0 FGADHM CC(C)(C)n1ncc2c1CCC[C@@H]2Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000819975881 606224103 /nfs/dbraw/zinc/22/41/03/606224103.db2.gz DXHKOMOYNJJYOS-AWEZNQCLSA-N -1 3 355.421 3.447 20 0 FGADHM O=C(Cc1coc2cc(F)ccc12)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000823118836 606227809 /nfs/dbraw/zinc/22/78/09/606227809.db2.gz SEKPGQMFLZSXCU-UHFFFAOYSA-N -1 3 352.325 3.038 20 0 FGADHM O=C(Cc1coc2cc(F)ccc12)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000823118836 606227810 /nfs/dbraw/zinc/22/78/10/606227810.db2.gz SEKPGQMFLZSXCU-UHFFFAOYSA-N -1 3 352.325 3.038 20 0 FGADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000822631706 606230211 /nfs/dbraw/zinc/23/02/11/606230211.db2.gz FOMWGURVXJJUSZ-QGZVFWFLSA-N -1 3 368.416 3.006 20 0 FGADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000822631706 606230212 /nfs/dbraw/zinc/23/02/12/606230212.db2.gz FOMWGURVXJJUSZ-QGZVFWFLSA-N -1 3 368.416 3.006 20 0 FGADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N(CCc1ccccc1)c1ccccc1 ZINC000822623405 606237178 /nfs/dbraw/zinc/23/71/78/606237178.db2.gz VUAIRBSKZLKBLG-UHFFFAOYSA-N -1 3 372.432 3.095 20 0 FGADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N(CCc1ccccc1)c1ccccc1 ZINC000822623405 606237179 /nfs/dbraw/zinc/23/71/79/606237179.db2.gz VUAIRBSKZLKBLG-UHFFFAOYSA-N -1 3 372.432 3.095 20 0 FGADHM O[C@@H](C[C@@H]1CCCCCN1c1ccc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC000823673723 606241500 /nfs/dbraw/zinc/24/15/00/606241500.db2.gz MWNUVRWZWBRBTP-ROUUACIJSA-N -1 3 364.453 3.134 20 0 FGADHM O[C@@H](C[C@@H]1CCCCCN1c1ccc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC000823673723 606241502 /nfs/dbraw/zinc/24/15/02/606241502.db2.gz MWNUVRWZWBRBTP-ROUUACIJSA-N -1 3 364.453 3.134 20 0 FGADHM CCCc1ccccc1N[C@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000821142041 606244891 /nfs/dbraw/zinc/24/48/91/606244891.db2.gz CDHDMKOOHQEMAW-SFHVURJKSA-N -1 3 362.437 3.037 20 0 FGADHM CCCc1ccccc1N[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000821142041 606244892 /nfs/dbraw/zinc/24/48/92/606244892.db2.gz CDHDMKOOHQEMAW-SFHVURJKSA-N -1 3 362.437 3.037 20 0 FGADHM Cc1cc(C)c(N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)c(C)c1 ZINC000822194022 606245708 /nfs/dbraw/zinc/24/57/08/606245708.db2.gz FTVQMMNGCIMASJ-QGZVFWFLSA-N -1 3 362.437 3.009 20 0 FGADHM Cc1cc(C)c(N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)c(C)c1 ZINC000822194022 606245709 /nfs/dbraw/zinc/24/57/09/606245709.db2.gz FTVQMMNGCIMASJ-QGZVFWFLSA-N -1 3 362.437 3.009 20 0 FGADHM C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000820563074 606253722 /nfs/dbraw/zinc/25/37/22/606253722.db2.gz NHMOJNPJAGXEKT-MRVPVSSYSA-N -1 3 365.224 3.335 20 0 FGADHM C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000820563074 606253724 /nfs/dbraw/zinc/25/37/24/606253724.db2.gz NHMOJNPJAGXEKT-MRVPVSSYSA-N -1 3 365.224 3.335 20 0 FGADHM C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1c(Cl)ccc(F)c1Cl ZINC000820384464 606259071 /nfs/dbraw/zinc/25/90/71/606259071.db2.gz FVWPMDKIWSBMJV-ZCFIWIBFSA-N -1 3 369.187 3.132 20 0 FGADHM C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1c(Cl)ccc(F)c1Cl ZINC000820384464 606259073 /nfs/dbraw/zinc/25/90/73/606259073.db2.gz FVWPMDKIWSBMJV-ZCFIWIBFSA-N -1 3 369.187 3.132 20 0 FGADHM CCN(c1ccc(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)cc1)C(C)C ZINC000821230557 606262996 /nfs/dbraw/zinc/26/29/96/606262996.db2.gz NGQJQVIGRMXVMS-UHFFFAOYSA-N -1 3 368.416 3.493 20 0 FGADHM CCN(c1ccc(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)cc1)C(C)C ZINC000821230557 606262998 /nfs/dbraw/zinc/26/29/98/606262998.db2.gz NGQJQVIGRMXVMS-UHFFFAOYSA-N -1 3 368.416 3.493 20 0 FGADHM Cc1ccc(C(=O)CCC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)cc1C ZINC000822224911 606266873 /nfs/dbraw/zinc/26/68/73/606266873.db2.gz FWEODNGYPKHYAN-UHFFFAOYSA-N -1 3 367.384 3.224 20 0 FGADHM Cc1ccc(C(=O)CCC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)cc1C ZINC000822224911 606266874 /nfs/dbraw/zinc/26/68/74/606266874.db2.gz FWEODNGYPKHYAN-UHFFFAOYSA-N -1 3 367.384 3.224 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)c1csc(Br)c1 ZINC000823346499 606269224 /nfs/dbraw/zinc/26/92/24/606269224.db2.gz OEVUNZZALDOMAM-UHFFFAOYSA-N -1 3 368.191 3.082 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)c1csc(Br)c1 ZINC000823346499 606269226 /nfs/dbraw/zinc/26/92/26/606269226.db2.gz OEVUNZZALDOMAM-UHFFFAOYSA-N -1 3 368.191 3.082 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000823337263 606271060 /nfs/dbraw/zinc/27/10/60/606271060.db2.gz JFBBLEIFRCKXCF-OXJNMPFZSA-N -1 3 363.396 3.239 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000823337263 606271062 /nfs/dbraw/zinc/27/10/62/606271062.db2.gz JFBBLEIFRCKXCF-OXJNMPFZSA-N -1 3 363.396 3.239 20 0 FGADHM Cc1ccc(COc2cccc(NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)c2)cc1 ZINC000822238516 606273139 /nfs/dbraw/zinc/27/31/39/606273139.db2.gz KQQYRQVRCPPBRC-UHFFFAOYSA-N -1 3 374.404 3.335 20 0 FGADHM Cc1ccc(COc2cccc(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)c2)cc1 ZINC000822238516 606273140 /nfs/dbraw/zinc/27/31/40/606273140.db2.gz KQQYRQVRCPPBRC-UHFFFAOYSA-N -1 3 374.404 3.335 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N1CC2(CCCC2)c2ccccc21 ZINC000823087048 606276374 /nfs/dbraw/zinc/27/63/74/606276374.db2.gz DSKSZAUXOUESPN-UHFFFAOYSA-N -1 3 359.433 3.268 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N1CC2(CCCC2)c2ccccc21 ZINC000823087048 606276377 /nfs/dbraw/zinc/27/63/77/606276377.db2.gz DSKSZAUXOUESPN-UHFFFAOYSA-N -1 3 359.433 3.268 20 0 FGADHM C[C@]1(CCc2ccccc2)CCN(C(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820612444 606281235 /nfs/dbraw/zinc/28/12/35/606281235.db2.gz DVNGUMCKFDSPJX-NRFANRHFSA-N -1 3 361.449 3.352 20 0 FGADHM C[C@]1(CCc2ccccc2)CCN(C(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820612444 606281237 /nfs/dbraw/zinc/28/12/37/606281237.db2.gz DVNGUMCKFDSPJX-NRFANRHFSA-N -1 3 361.449 3.352 20 0 FGADHM O=C(Nc1ccc(COCc2ccccc2)cc1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823323261 606283856 /nfs/dbraw/zinc/28/38/56/606283856.db2.gz ISBFXTLRGCFDGU-UHFFFAOYSA-N -1 3 374.404 3.164 20 0 FGADHM O=C(Nc1ccc(COCc2ccccc2)cc1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823323261 606283857 /nfs/dbraw/zinc/28/38/57/606283857.db2.gz ISBFXTLRGCFDGU-UHFFFAOYSA-N -1 3 374.404 3.164 20 0 FGADHM COc1ccc(-c2nnc(CSc3cccc(-c4nnn[n-]4)c3)o2)cc1 ZINC000821732213 606329091 /nfs/dbraw/zinc/32/90/91/606329091.db2.gz LROCLFKZYJLUIQ-UHFFFAOYSA-N -1 3 366.406 3.218 20 0 FGADHM COc1ccc(-c2nnc(CSc3cccc(-c4nn[n-]n4)c3)o2)cc1 ZINC000821732213 606329093 /nfs/dbraw/zinc/32/90/93/606329093.db2.gz LROCLFKZYJLUIQ-UHFFFAOYSA-N -1 3 366.406 3.218 20 0 FGADHM C[C@@H](OC(=O)c1ccc(N2CC=CC2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820513063 606342654 /nfs/dbraw/zinc/34/26/54/606342654.db2.gz TUWCYRMOVPVHBV-CQSZACIVSA-N -1 3 361.405 3.161 20 0 FGADHM C[C@@H](OC(=O)c1ccc(N2CC=CC2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820513063 606342656 /nfs/dbraw/zinc/34/26/56/606342656.db2.gz TUWCYRMOVPVHBV-CQSZACIVSA-N -1 3 361.405 3.161 20 0 FGADHM C[C@H](OC(=O)c1ccc(OC(F)F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820511864 606349271 /nfs/dbraw/zinc/34/92/71/606349271.db2.gz DOOKDBAZOLWFLQ-JTQLQIEISA-N -1 3 360.320 3.386 20 0 FGADHM C[C@H](OC(=O)c1ccc(OC(F)F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820511864 606349272 /nfs/dbraw/zinc/34/92/72/606349272.db2.gz DOOKDBAZOLWFLQ-JTQLQIEISA-N -1 3 360.320 3.386 20 0 FGADHM Cc1cc(C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)nn1C(C)(C)C ZINC000822184421 606350090 /nfs/dbraw/zinc/35/00/90/606350090.db2.gz UIIGNBKNGAQJIF-GFCCVEGCSA-N -1 3 354.414 3.045 20 0 FGADHM Cc1cc(C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)nn1C(C)(C)C ZINC000822184421 606350092 /nfs/dbraw/zinc/35/00/92/606350092.db2.gz UIIGNBKNGAQJIF-GFCCVEGCSA-N -1 3 354.414 3.045 20 0 FGADHM C[C@@H](OC(=O)C[C@@H]1OCCc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000820487752 606350561 /nfs/dbraw/zinc/35/05/61/606350561.db2.gz ILYMLAMKWGMCFX-ACJLOTCBSA-N -1 3 364.405 3.175 20 0 FGADHM C[C@@H](OC(=O)C[C@@H]1OCCc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000820487752 606350563 /nfs/dbraw/zinc/35/05/63/606350563.db2.gz ILYMLAMKWGMCFX-ACJLOTCBSA-N -1 3 364.405 3.175 20 0 FGADHM C[C@@H](OC(=O)CCCOc1cccc(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820495246 606350816 /nfs/dbraw/zinc/35/08/16/606350816.db2.gz FJPVNACBLQDYPZ-CYBMUJFWSA-N -1 3 370.384 3.469 20 0 FGADHM C[C@@H](OC(=O)CCCOc1cccc(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820495246 606350818 /nfs/dbraw/zinc/35/08/18/606350818.db2.gz FJPVNACBLQDYPZ-CYBMUJFWSA-N -1 3 370.384 3.469 20 0 FGADHM C[C@@H](OC(=O)[C@H](C)Oc1cccc(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820533032 606352704 /nfs/dbraw/zinc/35/27/04/606352704.db2.gz BEBPLBAJHIWPFL-NEPJUHHUSA-N -1 3 356.357 3.078 20 0 FGADHM C[C@@H](OC(=O)[C@H](C)Oc1cccc(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820533032 606352706 /nfs/dbraw/zinc/35/27/06/606352706.db2.gz BEBPLBAJHIWPFL-NEPJUHHUSA-N -1 3 356.357 3.078 20 0 FGADHM CCOc1c(F)cccc1C(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821390207 606355319 /nfs/dbraw/zinc/35/53/19/606355319.db2.gz SZQPGSZFNCQEQH-NSHDSACASA-N -1 3 356.357 3.323 20 0 FGADHM CCOc1c(F)cccc1C(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821390207 606355321 /nfs/dbraw/zinc/35/53/21/606355321.db2.gz SZQPGSZFNCQEQH-NSHDSACASA-N -1 3 356.357 3.323 20 0 FGADHM Cc1noc(C)c1CSCC(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000822522784 606359097 /nfs/dbraw/zinc/35/90/97/606359097.db2.gz NFAKZFAOPRELGE-LLVKDONJSA-N -1 3 373.438 3.009 20 0 FGADHM Cc1noc(C)c1CSCC(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000822522784 606359098 /nfs/dbraw/zinc/35/90/98/606359098.db2.gz NFAKZFAOPRELGE-LLVKDONJSA-N -1 3 373.438 3.009 20 0 FGADHM CCS[C@@H]1CCC[C@@H](NC(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000821455563 606382571 /nfs/dbraw/zinc/38/25/71/606382571.db2.gz KOWRCHZYTIMVKM-DAXOMENPSA-N -1 3 374.514 3.291 20 0 FGADHM CCS[C@@H]1CCC[C@@H](NC(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821455563 606382573 /nfs/dbraw/zinc/38/25/73/606382573.db2.gz KOWRCHZYTIMVKM-DAXOMENPSA-N -1 3 374.514 3.291 20 0 FGADHM COc1cccc(C(C)=CC(=O)OCc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000821857932 606391544 /nfs/dbraw/zinc/39/15/44/606391544.db2.gz BLOAOGZSFJERHN-WQLSENKSSA-N -1 3 368.368 3.161 20 0 FGADHM COc1cccc(C(C)=CC(=O)OCc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000821857932 606391546 /nfs/dbraw/zinc/39/15/46/606391546.db2.gz BLOAOGZSFJERHN-WQLSENKSSA-N -1 3 368.368 3.161 20 0 FGADHM Fc1cccc(OC(F)F)c1CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC000822791917 606420631 /nfs/dbraw/zinc/42/06/31/606420631.db2.gz NCQBJJZHAAGUGE-UHFFFAOYSA-N -1 3 370.722 3.268 20 0 FGADHM Fc1cccc(OC(F)F)c1CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC000822791917 606420633 /nfs/dbraw/zinc/42/06/33/606420633.db2.gz NCQBJJZHAAGUGE-UHFFFAOYSA-N -1 3 370.722 3.268 20 0 FGADHM CC(C)[C@@H]1OCCC[C@@H]1CNc1nc2ccccc2cc1-c1nnn[n-]1 ZINC000820051359 606427042 /nfs/dbraw/zinc/42/70/42/606427042.db2.gz NZYXQHJXXLDMRM-PBHICJAKSA-N -1 3 352.442 3.278 20 0 FGADHM CC(C)[C@@H]1OCCC[C@@H]1CNc1nc2ccccc2cc1-c1nn[n-]n1 ZINC000820051359 606427044 /nfs/dbraw/zinc/42/70/44/606427044.db2.gz NZYXQHJXXLDMRM-PBHICJAKSA-N -1 3 352.442 3.278 20 0 FGADHM Clc1cc(Nc2ncccc2-c2nnn[n-]2)ccc1N1CCSCC1 ZINC000822568629 606430743 /nfs/dbraw/zinc/43/07/43/606430743.db2.gz ULMZWQDLGDOHCB-UHFFFAOYSA-N -1 3 373.873 3.212 20 0 FGADHM Clc1cc(Nc2ncccc2-c2nn[n-]n2)ccc1N1CCSCC1 ZINC000822568629 606430744 /nfs/dbraw/zinc/43/07/44/606430744.db2.gz ULMZWQDLGDOHCB-UHFFFAOYSA-N -1 3 373.873 3.212 20 0 FGADHM CC(C)(C)OC(=O)Nc1ccc(Oc2ncccc2-c2nnn[n-]2)cc1 ZINC000819945746 606431847 /nfs/dbraw/zinc/43/18/47/606431847.db2.gz BXGVLDNUTOKCSX-UHFFFAOYSA-N -1 3 354.370 3.401 20 0 FGADHM Cc1cc([C@@H](C)NC(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)ccc1F ZINC000822191125 606444024 /nfs/dbraw/zinc/44/40/24/606444024.db2.gz GAEZWIOLWPAOPZ-CYBMUJFWSA-N -1 3 368.416 3.217 20 0 FGADHM Cc1cc([C@@H](C)NC(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)ccc1F ZINC000822191125 606444026 /nfs/dbraw/zinc/44/40/26/606444026.db2.gz GAEZWIOLWPAOPZ-CYBMUJFWSA-N -1 3 368.416 3.217 20 0 FGADHM O[C@@H](CNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccccc1F ZINC000823690895 606451122 /nfs/dbraw/zinc/45/11/22/606451122.db2.gz XJKNYPDKPDZSMR-AWEZNQCLSA-N -1 3 367.306 3.170 20 0 FGADHM O[C@@H](CNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccccc1F ZINC000823690895 606451123 /nfs/dbraw/zinc/45/11/23/606451123.db2.gz XJKNYPDKPDZSMR-AWEZNQCLSA-N -1 3 367.306 3.170 20 0 FGADHM OC[C@@H](CNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccccc1 ZINC000823705335 606478103 /nfs/dbraw/zinc/47/81/03/606478103.db2.gz GCOCVPDLOSBXGI-GFCCVEGCSA-N -1 3 363.343 3.074 20 0 FGADHM OC[C@@H](CNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccccc1 ZINC000823705335 606478105 /nfs/dbraw/zinc/47/81/05/606478105.db2.gz GCOCVPDLOSBXGI-GFCCVEGCSA-N -1 3 363.343 3.074 20 0 FGADHM OC[C@H](CNc1ccc(-c2nn[n-]n2)cc1C(F)(F)F)c1ccccc1 ZINC000823706985 606478147 /nfs/dbraw/zinc/47/81/47/606478147.db2.gz TZSDHBYJNYJMLE-ZDUSSCGKSA-N -1 3 363.343 3.074 20 0 FGADHM C[C@H](Cc1ccncc1)Nc1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21 ZINC000820299697 606478488 /nfs/dbraw/zinc/47/84/88/606478488.db2.gz JKHBKKNKBVSEFS-SNVBAGLBSA-N -1 3 367.363 3.131 20 0 FGADHM C[C@H](Cc1ccncc1)Nc1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21 ZINC000820299697 606478490 /nfs/dbraw/zinc/47/84/90/606478490.db2.gz JKHBKKNKBVSEFS-SNVBAGLBSA-N -1 3 367.363 3.131 20 0 FGADHM COc1ccc2cc(CNC(=O)c3cc(-c4nnn[n-]4)cs3)ccc2c1 ZINC000821854495 606487042 /nfs/dbraw/zinc/48/70/42/606487042.db2.gz KXIZOXRQLYCMBT-UHFFFAOYSA-N -1 3 365.418 3.020 20 0 FGADHM COc1ccc2cc(CNC(=O)c3cc(-c4nn[n-]n4)cs3)ccc2c1 ZINC000821854495 606487043 /nfs/dbraw/zinc/48/70/43/606487043.db2.gz KXIZOXRQLYCMBT-UHFFFAOYSA-N -1 3 365.418 3.020 20 0 FGADHM COc1cc(Cl)c(Cl)cc1C(=O)Nc1sccc1-c1nnn[n-]1 ZINC000821716596 606490293 /nfs/dbraw/zinc/49/02/93/606490293.db2.gz BAHAQWSRXAZGGW-UHFFFAOYSA-N -1 3 370.221 3.496 20 0 FGADHM COc1cc(Cl)c(Cl)cc1C(=O)Nc1sccc1-c1nn[n-]n1 ZINC000821716596 606490295 /nfs/dbraw/zinc/49/02/95/606490295.db2.gz BAHAQWSRXAZGGW-UHFFFAOYSA-N -1 3 370.221 3.496 20 0 FGADHM C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)cs1)c1ccccc1OC(F)F ZINC000820390045 606491859 /nfs/dbraw/zinc/49/18/59/606491859.db2.gz DJLOYPYFJSQENV-MRVPVSSYSA-N -1 3 365.365 3.021 20 0 FGADHM C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)cs1)c1ccccc1OC(F)F ZINC000820390045 606491861 /nfs/dbraw/zinc/49/18/61/606491861.db2.gz DJLOYPYFJSQENV-MRVPVSSYSA-N -1 3 365.365 3.021 20 0 FGADHM O=C(Nc1cc(Cl)ccc1-n1cccn1)c1cc(-c2nnn[n-]2)cs1 ZINC000823299008 606496252 /nfs/dbraw/zinc/49/62/52/606496252.db2.gz CMBZGSQRJGZJOL-UHFFFAOYSA-N -1 3 371.813 3.020 20 0 FGADHM O=C(Nc1cc(Cl)ccc1-n1cccn1)c1cc(-c2nn[n-]n2)cs1 ZINC000823299008 606496253 /nfs/dbraw/zinc/49/62/53/606496253.db2.gz CMBZGSQRJGZJOL-UHFFFAOYSA-N -1 3 371.813 3.020 20 0 FGADHM Cc1nc(-c2ccc(NC(=O)c3cc(-c4nnn[n-]4)cs3)cc2)oc1C ZINC000822418662 606497970 /nfs/dbraw/zinc/49/79/70/606497970.db2.gz CFDKOFBRESLKBH-UHFFFAOYSA-N -1 3 366.406 3.452 20 0 FGADHM Cc1nc(-c2ccc(NC(=O)c3cc(-c4nn[n-]n4)cs3)cc2)oc1C ZINC000822418662 606497972 /nfs/dbraw/zinc/49/79/72/606497972.db2.gz CFDKOFBRESLKBH-UHFFFAOYSA-N -1 3 366.406 3.452 20 0 FGADHM CCOc1ccccc1[C@@H](CC)NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000821431342 606502266 /nfs/dbraw/zinc/50/22/66/606502266.db2.gz QMJXFUNEKZEWCZ-CYBMUJFWSA-N -1 3 357.439 3.208 20 0 FGADHM CCOc1ccccc1[C@@H](CC)NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000821431342 606502268 /nfs/dbraw/zinc/50/22/68/606502268.db2.gz QMJXFUNEKZEWCZ-CYBMUJFWSA-N -1 3 357.439 3.208 20 0 FGADHM CC(C)(C)c1ccccc1OCCNC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000819957951 606508941 /nfs/dbraw/zinc/50/89/41/606508941.db2.gz FHOMWFJLRMCBGO-UHFFFAOYSA-N -1 3 371.466 3.035 20 0 FGADHM CC(C)(C)c1ccccc1OCCNC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000819957951 606508943 /nfs/dbraw/zinc/50/89/43/606508943.db2.gz FHOMWFJLRMCBGO-UHFFFAOYSA-N -1 3 371.466 3.035 20 0 FGADHM C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820665043 606513867 /nfs/dbraw/zinc/51/38/67/606513867.db2.gz DIRUQIUXFKVFGJ-CMPLNLGQSA-N -1 3 357.414 3.086 20 0 FGADHM C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820665043 606513869 /nfs/dbraw/zinc/51/38/69/606513869.db2.gz DIRUQIUXFKVFGJ-CMPLNLGQSA-N -1 3 357.414 3.086 20 0 FGADHM C[C@@H]1SCCN(C(=O)c2cc(-c3nnn[n-]3)cs2)[C@H]1c1ccccc1 ZINC000820818957 606514011 /nfs/dbraw/zinc/51/40/11/606514011.db2.gz CZEJNMFRZQHRSL-XHDPSFHLSA-N -1 3 371.491 3.247 20 0 FGADHM C[C@@H]1SCCN(C(=O)c2cc(-c3nn[n-]n3)cs2)[C@H]1c1ccccc1 ZINC000820818957 606514012 /nfs/dbraw/zinc/51/40/12/606514012.db2.gz CZEJNMFRZQHRSL-XHDPSFHLSA-N -1 3 371.491 3.247 20 0 FGADHM C[C@@H](C(=O)NCCSCc1ccccc1-c1nnn[n-]1)C1CCCC1 ZINC000819857870 606518911 /nfs/dbraw/zinc/51/89/11/606518911.db2.gz WHVRXDHHDVFHBF-CYBMUJFWSA-N -1 3 359.499 3.042 20 0 FGADHM C[C@@H](C(=O)NCCSCc1ccccc1-c1nn[n-]n1)C1CCCC1 ZINC000819857870 606518913 /nfs/dbraw/zinc/51/89/13/606518913.db2.gz WHVRXDHHDVFHBF-CYBMUJFWSA-N -1 3 359.499 3.042 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N1CCC[C@H]1CCc1ccccc1 ZINC000823088028 606528491 /nfs/dbraw/zinc/52/84/91/606528491.db2.gz WIVVPESHNZCRQC-IBGZPJMESA-N -1 3 361.449 3.033 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N1CCC[C@H]1CCc1ccccc1 ZINC000823088028 606528493 /nfs/dbraw/zinc/52/84/93/606528493.db2.gz WIVVPESHNZCRQC-IBGZPJMESA-N -1 3 361.449 3.033 20 0 FGADHM Cc1ccc(CC(=O)OCc2ccc(-c3nnn[n-]3)cc2OC(F)F)cc1 ZINC000822235253 606557054 /nfs/dbraw/zinc/55/70/54/606557054.db2.gz YYOLWMZGCQGLNP-UHFFFAOYSA-N -1 3 374.347 3.062 20 0 FGADHM Cc1ccc(CC(=O)OCc2ccc(-c3nn[n-]n3)cc2OC(F)F)cc1 ZINC000822235253 606557055 /nfs/dbraw/zinc/55/70/55/606557055.db2.gz YYOLWMZGCQGLNP-UHFFFAOYSA-N -1 3 374.347 3.062 20 0 FGADHM Cc1c2ccccc2oc1C(=O)COC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000822015573 606567051 /nfs/dbraw/zinc/56/70/51/606567051.db2.gz MIOLJCKHGFHOIY-UHFFFAOYSA-N -1 3 368.374 3.023 20 0 FGADHM Cc1c2ccccc2oc1C(=O)COC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000822015573 606567052 /nfs/dbraw/zinc/56/70/52/606567052.db2.gz MIOLJCKHGFHOIY-UHFFFAOYSA-N -1 3 368.374 3.023 20 0 FGADHM C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820293810 606567473 /nfs/dbraw/zinc/56/74/73/606567473.db2.gz OMPYAHMITAITGC-CYBMUJFWSA-N -1 3 369.856 3.152 20 0 FGADHM C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820293810 606567474 /nfs/dbraw/zinc/56/74/74/606567474.db2.gz OMPYAHMITAITGC-CYBMUJFWSA-N -1 3 369.856 3.152 20 0 FGADHM CCC[C@H]1C[C@@H]1NC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000821035001 606577539 /nfs/dbraw/zinc/57/75/39/606577539.db2.gz YGEGBWIMADGUOR-UFBFGSQYSA-N -1 3 354.336 3.196 20 0 FGADHM CCC[C@H]1C[C@@H]1NC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821035001 606577540 /nfs/dbraw/zinc/57/75/40/606577540.db2.gz YGEGBWIMADGUOR-UFBFGSQYSA-N -1 3 354.336 3.196 20 0 FGADHM CC[C@@H](Oc1cccc(C)c1)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820938264 606578994 /nfs/dbraw/zinc/57/89/94/606578994.db2.gz HTKNKQYOLYDGHX-KBXCAEBGSA-N -1 3 365.437 3.210 20 0 FGADHM CC[C@@H](Oc1cccc(C)c1)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820938264 606578992 /nfs/dbraw/zinc/57/89/92/606578992.db2.gz HTKNKQYOLYDGHX-KBXCAEBGSA-N -1 3 365.437 3.210 20 0 FGADHM Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)Cc2cccc(-c3nnn[n-]3)c2)o1 ZINC000822233061 606579769 /nfs/dbraw/zinc/57/97/69/606579769.db2.gz HKYFEUPAWSCKMU-SUMWQHHRSA-N -1 3 365.437 3.310 20 0 FGADHM Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)Cc2cccc(-c3nn[n-]n3)c2)o1 ZINC000822233061 606579770 /nfs/dbraw/zinc/57/97/70/606579770.db2.gz HKYFEUPAWSCKMU-SUMWQHHRSA-N -1 3 365.437 3.310 20 0 FGADHM C[C@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)[C@H]1Oc2ccccc2[C@@H]1C ZINC000820462013 606591895 /nfs/dbraw/zinc/59/18/95/606591895.db2.gz UFCHXEGBUFBLQN-YHAQOWFVSA-N -1 3 356.817 3.280 20 0 FGADHM C[C@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)[C@H]1Oc2ccccc2[C@@H]1C ZINC000820462013 606591897 /nfs/dbraw/zinc/59/18/97/606591897.db2.gz UFCHXEGBUFBLQN-YHAQOWFVSA-N -1 3 356.817 3.280 20 0 FGADHM CO[C@@H](C)c1nc(CNc2c(Cl)cccc2-c2nnn[n-]2)cs1 ZINC000821675700 606593713 /nfs/dbraw/zinc/59/37/13/606593713.db2.gz ROZCZYBFFROQOQ-QMMMGPOBSA-N -1 3 350.835 3.296 20 0 FGADHM CO[C@@H](C)c1nc(CNc2c(Cl)cccc2-c2nn[n-]n2)cs1 ZINC000821675700 606593715 /nfs/dbraw/zinc/59/37/15/606593715.db2.gz ROZCZYBFFROQOQ-QMMMGPOBSA-N -1 3 350.835 3.296 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc(Cl)cn1 ZINC000821105171 606612528 /nfs/dbraw/zinc/61/25/28/606612528.db2.gz XHPNVUYYFNGZIU-UHFFFAOYSA-N -1 3 371.832 3.359 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc(Cl)cn1 ZINC000821105171 606612529 /nfs/dbraw/zinc/61/25/29/606612529.db2.gz XHPNVUYYFNGZIU-UHFFFAOYSA-N -1 3 371.832 3.359 20 0 FGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N[C@@H](C1CCCCC1)C(F)(F)F ZINC000823359379 606613863 /nfs/dbraw/zinc/61/38/63/606613863.db2.gz MZKFTQMIBOPYPI-ZDUSSCGKSA-N -1 3 368.363 3.499 20 0 FGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N[C@@H](C1CCCCC1)C(F)(F)F ZINC000823359379 606613865 /nfs/dbraw/zinc/61/38/65/606613865.db2.gz MZKFTQMIBOPYPI-ZDUSSCGKSA-N -1 3 368.363 3.499 20 0 FGADHM CCCCCC(C)(C)C(=O)O[C@@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000821043644 606615304 /nfs/dbraw/zinc/61/53/04/606615304.db2.gz RGNRHKORTCQGSE-ZDUSSCGKSA-N -1 3 373.457 3.343 20 0 FGADHM CCCCCC(C)(C)C(=O)O[C@@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000821043644 606615305 /nfs/dbraw/zinc/61/53/05/606615305.db2.gz RGNRHKORTCQGSE-ZDUSSCGKSA-N -1 3 373.457 3.343 20 0 FGADHM Cc1cc(F)c(C(=O)COc2ccc(-c3nnn[n-]3)cc2Cl)cc1F ZINC000822202067 606627439 /nfs/dbraw/zinc/62/74/39/606627439.db2.gz JNRJOLKFEJRBBB-UHFFFAOYSA-N -1 3 364.739 3.368 20 0 FGADHM Cc1cc(F)c(C(=O)COc2ccc(-c3nn[n-]n3)cc2Cl)cc1F ZINC000822202067 606627441 /nfs/dbraw/zinc/62/74/41/606627441.db2.gz JNRJOLKFEJRBBB-UHFFFAOYSA-N -1 3 364.739 3.368 20 0 FGADHM C[C@H](Sc1ccc(Cl)cc1-c1nnn[n-]1)C(=O)NCc1ccccc1 ZINC000820548928 606628393 /nfs/dbraw/zinc/62/83/93/606628393.db2.gz IPXABDSSPLSYOK-NSHDSACASA-N -1 3 373.869 3.317 20 0 FGADHM C[C@H](Sc1ccc(Cl)cc1-c1nn[n-]n1)C(=O)NCc1ccccc1 ZINC000820548928 606628396 /nfs/dbraw/zinc/62/83/96/606628396.db2.gz IPXABDSSPLSYOK-NSHDSACASA-N -1 3 373.869 3.317 20 0 FGADHM CC[C@H](C)Oc1ccc(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000820875922 606631571 /nfs/dbraw/zinc/63/15/71/606631571.db2.gz INAKKKLMVYWNSJ-NSHDSACASA-N -1 3 355.373 3.435 20 0 FGADHM CC[C@H](C)Oc1ccc(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000820875922 606631573 /nfs/dbraw/zinc/63/15/73/606631573.db2.gz INAKKKLMVYWNSJ-NSHDSACASA-N -1 3 355.373 3.435 20 0 FGADHM O[C@@H]1CCCC[C@@H]1Oc1ccc(NCc2cc(-c3nnn[n-]3)cs2)cc1 ZINC000823704444 606657805 /nfs/dbraw/zinc/65/78/05/606657805.db2.gz AQQYBLFLWWZICR-SJORKVTESA-N -1 3 371.466 3.223 20 0 FGADHM O[C@@H]1CCCC[C@@H]1Oc1ccc(NCc2cc(-c3nn[n-]n3)cs2)cc1 ZINC000823704444 606657806 /nfs/dbraw/zinc/65/78/06/606657806.db2.gz AQQYBLFLWWZICR-SJORKVTESA-N -1 3 371.466 3.223 20 0 FGADHM O[C@H]1CCCC[C@@H]1Oc1ccc(NCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000823706887 606657839 /nfs/dbraw/zinc/65/78/39/606657839.db2.gz QVSDMWRMUOUOLK-OALUTQOASA-N -1 3 365.437 3.161 20 0 FGADHM O[C@H]1CCCC[C@@H]1Oc1ccc(NCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000823706887 606657840 /nfs/dbraw/zinc/65/78/40/606657840.db2.gz QVSDMWRMUOUOLK-OALUTQOASA-N -1 3 365.437 3.161 20 0 FGADHM O=C(Oc1cccc(C(F)(F)F)c1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823454699 606663311 /nfs/dbraw/zinc/66/33/11/606663311.db2.gz REZMFALQUROJMO-UHFFFAOYSA-N -1 3 370.237 3.383 20 0 FGADHM O=C(Oc1cccc(C(F)(F)F)c1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823454699 606663312 /nfs/dbraw/zinc/66/33/12/606663312.db2.gz REZMFALQUROJMO-UHFFFAOYSA-N -1 3 370.237 3.383 20 0 FGADHM O=C(N[C@@H]1CC[C@@H]2CCCC[C@H]2C1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823145638 606663907 /nfs/dbraw/zinc/66/39/07/606663907.db2.gz SEULYSYESKKLAA-GMXVVIOVSA-N -1 3 361.396 3.234 20 0 FGADHM O=C(N[C@@H]1CC[C@@H]2CCCC[C@H]2C1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823145638 606663908 /nfs/dbraw/zinc/66/39/08/606663908.db2.gz SEULYSYESKKLAA-GMXVVIOVSA-N -1 3 361.396 3.234 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[C@H]1C[C@@H]1Cc1ccccc1 ZINC000823303883 606665601 /nfs/dbraw/zinc/66/56/01/606665601.db2.gz XOZSCQWSIJWGMN-WFASDCNBSA-N -1 3 353.813 3.337 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)[C@H]1C[C@@H]1Cc1ccccc1 ZINC000823303883 606665602 /nfs/dbraw/zinc/66/56/02/606665602.db2.gz XOZSCQWSIJWGMN-WFASDCNBSA-N -1 3 353.813 3.337 20 0 FGADHM Cc1ccc([C@@H](C)NC(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1F ZINC000822228801 606666593 /nfs/dbraw/zinc/66/65/93/606666593.db2.gz FVUCGTLIMGVHPQ-QWHCGFSZSA-N -1 3 368.416 3.436 20 0 FGADHM Cc1ccc([C@@H](C)NC(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000822228801 606666594 /nfs/dbraw/zinc/66/65/94/606666594.db2.gz FVUCGTLIMGVHPQ-QWHCGFSZSA-N -1 3 368.416 3.436 20 0 FGADHM C[C@H](NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1ccc(Cl)s1 ZINC000820385155 606669111 /nfs/dbraw/zinc/66/91/11/606669111.db2.gz PVQQYYMPOMCKHM-LURJTMIESA-N -1 3 369.784 3.351 20 0 FGADHM C[C@H](NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccc(Cl)s1 ZINC000820385155 606669112 /nfs/dbraw/zinc/66/91/12/606669112.db2.gz PVQQYYMPOMCKHM-LURJTMIESA-N -1 3 369.784 3.351 20 0 FGADHM Cc1ccc(C[C@@H](C)N(C)C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1 ZINC000822234958 606681770 /nfs/dbraw/zinc/68/17/70/606681770.db2.gz MUIKBIXKLUWRSS-GFCCVEGCSA-N -1 3 371.391 3.157 20 0 FGADHM Cc1ccc(C[C@@H](C)N(C)C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1 ZINC000822234958 606681771 /nfs/dbraw/zinc/68/17/71/606681771.db2.gz MUIKBIXKLUWRSS-GFCCVEGCSA-N -1 3 371.391 3.157 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)N1CC[C@H](c2ccc(F)cc2)C1 ZINC000823343611 606697771 /nfs/dbraw/zinc/69/77/71/606697771.db2.gz AZFLXKZLZKJIBT-LBPRGKRZSA-N -1 3 370.363 3.166 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)N1CC[C@H](c2ccc(F)cc2)C1 ZINC000823343611 606697772 /nfs/dbraw/zinc/69/77/72/606697772.db2.gz AZFLXKZLZKJIBT-LBPRGKRZSA-N -1 3 370.363 3.166 20 0 FGADHM COCCCOc1cc(C)ccc1CNc1ccc(-c2nn[n-]n2)cc1 ZINC000821687519 606726229 /nfs/dbraw/zinc/72/62/29/606726229.db2.gz COBDSLOQZDTOQH-UHFFFAOYSA-N -1 3 353.426 3.203 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cccc(C)c1F ZINC000821123216 606738843 /nfs/dbraw/zinc/73/88/43/606738843.db2.gz NAJGTQYUIVQFOW-UHFFFAOYSA-N -1 3 354.389 3.388 20 0 FGADHM CC(C)CC[C@@H]1CCCCN1C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000820072958 606769670 /nfs/dbraw/zinc/76/96/70/606769670.db2.gz OYNZAYCERSTNFQ-KRWDZBQOSA-N -1 3 356.474 3.367 20 0 FGADHM CC(C)CC[C@@H]1CCCCN1C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000820072958 606769673 /nfs/dbraw/zinc/76/96/73/606769673.db2.gz OYNZAYCERSTNFQ-KRWDZBQOSA-N -1 3 356.474 3.367 20 0 FGADHM COC(=O)c1cc(F)ccc1COc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821667905 606780724 /nfs/dbraw/zinc/78/07/24/606780724.db2.gz GDEAGXSCESHUNJ-UHFFFAOYSA-N -1 3 362.748 3.025 20 0 FGADHM COC(=O)c1cc(F)ccc1COc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821667905 606780725 /nfs/dbraw/zinc/78/07/25/606780725.db2.gz GDEAGXSCESHUNJ-UHFFFAOYSA-N -1 3 362.748 3.025 20 0 FGADHM O=c1[nH]c2ccccc2n1CCCOc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000823656366 606785881 /nfs/dbraw/zinc/78/58/81/606785881.db2.gz CHXLJABFUBMFQN-UHFFFAOYSA-N -1 3 370.800 3.045 20 0 FGADHM O=c1[nH]c2ccccc2n1CCCOc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000823656366 606785883 /nfs/dbraw/zinc/78/58/83/606785883.db2.gz CHXLJABFUBMFQN-UHFFFAOYSA-N -1 3 370.800 3.045 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N(CC(C)C)CC(C)(C)C ZINC000821763010 606806505 /nfs/dbraw/zinc/80/65/05/606806505.db2.gz SFLOCZDABQANGX-UHFFFAOYSA-N -1 3 360.462 3.411 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N(CC(C)C)CC(C)(C)C ZINC000821763010 606806506 /nfs/dbraw/zinc/80/65/06/606806506.db2.gz SFLOCZDABQANGX-UHFFFAOYSA-N -1 3 360.462 3.411 20 0 FGADHM Cc1ccc(Cl)c(NC(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822239902 606807693 /nfs/dbraw/zinc/80/76/93/606807693.db2.gz JTDPUUVBVTZMBB-UHFFFAOYSA-N -1 3 372.816 3.029 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H]1CCC[C@H]1CC ZINC000821104391 606811435 /nfs/dbraw/zinc/81/14/35/606811435.db2.gz BHGHBLXVMAQJMP-NVXWUHKLSA-N -1 3 356.474 3.367 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1CCC[C@H]1CC ZINC000821104391 606811436 /nfs/dbraw/zinc/81/14/36/606811436.db2.gz BHGHBLXVMAQJMP-NVXWUHKLSA-N -1 3 356.474 3.367 20 0 FGADHM CC[C@H](C)Oc1cc(C)ccc1CNC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820876975 606812399 /nfs/dbraw/zinc/81/23/99/606812399.db2.gz XKTBHCQUVNBTJA-LBPRGKRZSA-N -1 3 371.466 3.344 20 0 FGADHM CC[C@H](C)Oc1cc(C)ccc1CNC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820876975 606812401 /nfs/dbraw/zinc/81/24/01/606812401.db2.gz XKTBHCQUVNBTJA-LBPRGKRZSA-N -1 3 371.466 3.344 20 0 FGADHM C[C@H]1CC[C@@H](C(=O)Oc2ccc(-c3ccc(-c4nnn[n-]4)cc3)cc2)O1 ZINC000820674665 606838792 /nfs/dbraw/zinc/83/87/92/606838792.db2.gz FNJMMGQOPURRSF-SJCJKPOMSA-N -1 3 350.378 3.007 20 0 FGADHM C[C@H]1CC[C@@H](C(=O)Oc2ccc(-c3ccc(-c4nn[n-]n4)cc3)cc2)O1 ZINC000820674665 606838794 /nfs/dbraw/zinc/83/87/94/606838794.db2.gz FNJMMGQOPURRSF-SJCJKPOMSA-N -1 3 350.378 3.007 20 0 FGADHM CC(=O)c1ccc(Br)cc1OCc1cccc(-c2nnn[n-]2)c1 ZINC000819834222 606849106 /nfs/dbraw/zinc/84/91/06/606849106.db2.gz OKZZFVGNVQFTLF-UHFFFAOYSA-N -1 3 373.210 3.411 20 0 FGADHM CC(=O)c1ccc(Br)cc1OCc1cccc(-c2nn[n-]n2)c1 ZINC000819834222 606849107 /nfs/dbraw/zinc/84/91/07/606849107.db2.gz OKZZFVGNVQFTLF-UHFFFAOYSA-N -1 3 373.210 3.411 20 0 FGADHM C[C@H]1CCCC[C@H]1NC(=O)CSc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820702851 606851816 /nfs/dbraw/zinc/85/18/16/606851816.db2.gz APJNBUIXJJUDNJ-GXFFZTMASA-N -1 3 365.890 3.307 20 0 FGADHM C[C@H]1CCCC[C@H]1NC(=O)CSc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820702851 606851817 /nfs/dbraw/zinc/85/18/17/606851817.db2.gz APJNBUIXJJUDNJ-GXFFZTMASA-N -1 3 365.890 3.307 20 0 FGADHM C[C@@H](NC(=O)N1CC(C)(C)c2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820340699 606870592 /nfs/dbraw/zinc/87/05/92/606870592.db2.gz MXZSFJNGWCNSML-CYBMUJFWSA-N -1 3 362.437 3.435 20 0 FGADHM C[C@@H](NC(=O)N1CC(C)(C)c2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820340699 606870594 /nfs/dbraw/zinc/87/05/94/606870594.db2.gz MXZSFJNGWCNSML-CYBMUJFWSA-N -1 3 362.437 3.435 20 0 FGADHM CC[C@H](SC[C@H](O)COc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000820938860 606874520 /nfs/dbraw/zinc/87/45/20/606874520.db2.gz NXDLRNPWKUOCIJ-AEFFLSMTSA-N -1 3 370.478 3.491 20 0 FGADHM c1ccc(N[C@@H]2CCCN(c3c(-c4nnn[n-]4)cnc4ccccc43)C2)cc1 ZINC000823788341 606876275 /nfs/dbraw/zinc/87/62/75/606876275.db2.gz ZVUALRHBZVBDFC-MRXNPFEDSA-N -1 3 371.448 3.496 20 0 FGADHM c1ccc(N[C@@H]2CCCN(c3c(-c4nn[n-]n4)cnc4ccccc43)C2)cc1 ZINC000823788341 606876276 /nfs/dbraw/zinc/87/62/76/606876276.db2.gz ZVUALRHBZVBDFC-MRXNPFEDSA-N -1 3 371.448 3.496 20 0 FGADHM C[C@@H]1CC[C@H](C)N1C(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000820684352 606879278 /nfs/dbraw/zinc/87/92/78/606879278.db2.gz OJASCYGWIQRORB-BETUJISGSA-N -1 3 367.409 3.052 20 0 FGADHM CO[C@@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)c1ccccc1Cl ZINC000821677692 606880181 /nfs/dbraw/zinc/88/01/81/606880181.db2.gz CGAJHLLXBSBMQX-ZDUSSCGKSA-N -1 3 365.224 3.368 20 0 FGADHM CO[C@@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)c1ccccc1Cl ZINC000821677692 606880183 /nfs/dbraw/zinc/88/01/83/606880183.db2.gz CGAJHLLXBSBMQX-ZDUSSCGKSA-N -1 3 365.224 3.368 20 0 FGADHM CC(C)C[C@@H]1CCCCN1C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000820061432 606880643 /nfs/dbraw/zinc/88/06/43/606880643.db2.gz ALDVEUGMUQREQZ-HNNXBMFYSA-N -1 3 359.499 3.386 20 0 FGADHM CC(C)C[C@@H]1CCCCN1C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000820061432 606880644 /nfs/dbraw/zinc/88/06/44/606880644.db2.gz ALDVEUGMUQREQZ-HNNXBMFYSA-N -1 3 359.499 3.386 20 0 FGADHM CCOCCC1(C(=O)OCc2cc(-c3nnn[n-]3)ccc2F)CCCC1 ZINC000821374027 606924816 /nfs/dbraw/zinc/92/48/16/606924816.db2.gz RKQUGUPKGJCXGN-UHFFFAOYSA-N -1 3 362.405 3.036 20 0 FGADHM CCOCCC1(C(=O)OCc2cc(-c3nn[n-]n3)ccc2F)CCCC1 ZINC000821374027 606924817 /nfs/dbraw/zinc/92/48/17/606924817.db2.gz RKQUGUPKGJCXGN-UHFFFAOYSA-N -1 3 362.405 3.036 20 0 FGADHM COC(=O)c1cc(NCc2ccc(F)c(-c3nnn[n-]3)c2)ccc1Cl ZINC000821668170 606927673 /nfs/dbraw/zinc/92/76/73/606927673.db2.gz SRAUWYOPWVPKIX-UHFFFAOYSA-N -1 3 361.764 3.058 20 0 FGADHM COC(=O)c1cc(NCc2ccc(F)c(-c3nn[n-]n3)c2)ccc1Cl ZINC000821668170 606927675 /nfs/dbraw/zinc/92/76/75/606927675.db2.gz SRAUWYOPWVPKIX-UHFFFAOYSA-N -1 3 361.764 3.058 20 0 FGADHM Fc1ccc(CNc2cccc(OC[C@@H]3CCCO3)c2)cc1-c1nnn[n-]1 ZINC000822771123 606928106 /nfs/dbraw/zinc/92/81/06/606928106.db2.gz CGADKCRGNCBIIA-INIZCTEOSA-N -1 3 369.400 3.176 20 0 FGADHM Fc1ccc(CNc2cccc(OC[C@@H]3CCCO3)c2)cc1-c1nn[n-]n1 ZINC000822771123 606928108 /nfs/dbraw/zinc/92/81/08/606928108.db2.gz CGADKCRGNCBIIA-INIZCTEOSA-N -1 3 369.400 3.176 20 0 FGADHM CC(C)c1ccc(N(C)CC(=O)Nc2sccc2-c2nnn[n-]2)cc1 ZINC000820192385 606932694 /nfs/dbraw/zinc/93/26/94/606932694.db2.gz LWKMENOTVDHVHI-UHFFFAOYSA-N -1 3 356.455 3.127 20 0 FGADHM CC(C)c1ccc(N(C)CC(=O)Nc2sccc2-c2nn[n-]n2)cc1 ZINC000820192385 606932697 /nfs/dbraw/zinc/93/26/97/606932697.db2.gz LWKMENOTVDHVHI-UHFFFAOYSA-N -1 3 356.455 3.127 20 0 FGADHM C[C@@](O)(CNc1ccc(C(F)(F)F)cc1-c1nnn[n-]1)c1ccccc1 ZINC000820467609 606935410 /nfs/dbraw/zinc/93/54/10/606935410.db2.gz KKZRWMGFNGPUGU-MRXNPFEDSA-N -1 3 363.343 3.205 20 0 FGADHM C[C@@](O)(CNc1ccc(C(F)(F)F)cc1-c1nn[n-]n1)c1ccccc1 ZINC000820467609 606935411 /nfs/dbraw/zinc/93/54/11/606935411.db2.gz KKZRWMGFNGPUGU-MRXNPFEDSA-N -1 3 363.343 3.205 20 0 FGADHM CCc1nnc(N2CCC[C@]3(CC=CCC3)C2)c(-c2nnn[n-]2)c1CC ZINC000821523263 606935495 /nfs/dbraw/zinc/93/54/95/606935495.db2.gz SQLWCPXRPBJWBV-LJQANCHMSA-N -1 3 353.474 3.108 20 0 FGADHM CCc1nnc(N2CCC[C@]3(CC=CCC3)C2)c(-c2nn[n-]n2)c1CC ZINC000821523263 606935497 /nfs/dbraw/zinc/93/54/97/606935497.db2.gz SQLWCPXRPBJWBV-LJQANCHMSA-N -1 3 353.474 3.108 20 0 FGADHM C[C@@H](CNc1ccc(C(F)(F)F)cc1-c1nnn[n-]1)CC1(C)OCCO1 ZINC000820281147 606938293 /nfs/dbraw/zinc/93/82/93/606938293.db2.gz SFTFZZVUUSLNFH-SNVBAGLBSA-N -1 3 371.363 3.087 20 0 FGADHM C[C@@H](CNc1ccc(C(F)(F)F)cc1-c1nn[n-]n1)CC1(C)OCCO1 ZINC000820281147 606938294 /nfs/dbraw/zinc/93/82/94/606938294.db2.gz SFTFZZVUUSLNFH-SNVBAGLBSA-N -1 3 371.363 3.087 20 0 FGADHM Cc1coc(-c2cc(NC(=O)c3cc(-c4nnn[n-]4)cs3)ccc2C)n1 ZINC000822402757 606945402 /nfs/dbraw/zinc/94/54/02/606945402.db2.gz FKKRNVWPPYUMPH-UHFFFAOYSA-N -1 3 366.406 3.452 20 0 FGADHM Cc1coc(-c2cc(NC(=O)c3cc(-c4nn[n-]n4)cs3)ccc2C)n1 ZINC000822402757 606945403 /nfs/dbraw/zinc/94/54/03/606945403.db2.gz FKKRNVWPPYUMPH-UHFFFAOYSA-N -1 3 366.406 3.452 20 0 FGADHM CC(C)COc1ccc([C@@H](C)NC(=O)c2sccc2-c2nnn[n-]2)cc1 ZINC000820103410 606957214 /nfs/dbraw/zinc/95/72/14/606957214.db2.gz YHEJNTGTQZEXRA-GFCCVEGCSA-N -1 3 371.466 3.454 20 0 FGADHM CC(C)COc1ccc([C@@H](C)NC(=O)c2sccc2-c2nn[n-]n2)cc1 ZINC000820103410 606957215 /nfs/dbraw/zinc/95/72/15/606957215.db2.gz YHEJNTGTQZEXRA-GFCCVEGCSA-N -1 3 371.466 3.454 20 0 FGADHM CN(Cc1nc(-c2ccccc2)c[nH]1)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000821616655 606958063 /nfs/dbraw/zinc/95/80/63/606958063.db2.gz ATDARLPXHCPZEB-UHFFFAOYSA-N -1 3 363.400 3.028 20 0 FGADHM Fc1ccc(CN[C@H](c2ccccc2)c2ccccn2)cc1-c1nnn[n-]1 ZINC000822771699 606960222 /nfs/dbraw/zinc/96/02/22/606960222.db2.gz KBPFTOYGLDQOAT-LJQANCHMSA-N -1 3 360.396 3.280 20 0 FGADHM Fc1ccc(CN[C@H](c2ccccc2)c2ccccn2)cc1-c1nn[n-]n1 ZINC000822771699 606960224 /nfs/dbraw/zinc/96/02/24/606960224.db2.gz KBPFTOYGLDQOAT-LJQANCHMSA-N -1 3 360.396 3.280 20 0 FGADHM CN(C(=O)[C@H]1CCc2ccccc21)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821569502 606960733 /nfs/dbraw/zinc/96/07/33/606960733.db2.gz MOGWSPPDWMOKNI-AWEZNQCLSA-N -1 3 353.813 3.213 20 0 FGADHM CN(C(=O)[C@H]1CCc2ccccc21)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821569502 606960734 /nfs/dbraw/zinc/96/07/34/606960734.db2.gz MOGWSPPDWMOKNI-AWEZNQCLSA-N -1 3 353.813 3.213 20 0 FGADHM COc1ccc(Cl)cc1CN(C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000821824023 606961799 /nfs/dbraw/zinc/96/17/99/606961799.db2.gz FOZJJAVNMQOPBA-UHFFFAOYSA-N -1 3 361.808 3.300 20 0 FGADHM CN(C(=O)c1ccc(SC(F)F)cc1)c1ccccc1-c1nnn[n-]1 ZINC000821574467 606971757 /nfs/dbraw/zinc/97/17/57/606971757.db2.gz IAPLWPSIEBHQAN-UHFFFAOYSA-N -1 3 361.377 3.458 20 0 FGADHM CN(C(=O)c1ccc(SC(F)F)cc1)c1ccccc1-c1nn[n-]n1 ZINC000821574467 606971759 /nfs/dbraw/zinc/97/17/59/606971759.db2.gz IAPLWPSIEBHQAN-UHFFFAOYSA-N -1 3 361.377 3.458 20 0 FGADHM Cc1ccccc1[C@H]1CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)[C@H](C)CO1 ZINC000822350746 606977602 /nfs/dbraw/zinc/97/76/02/606977602.db2.gz GOAHVVVVRALCPT-AUUYWEPGSA-N -1 3 367.428 3.276 20 0 FGADHM Cc1ccccc1[C@H]1CN(Cc2ccc(F)c(-c3nn[n-]n3)c2)[C@H](C)CO1 ZINC000822350746 606977604 /nfs/dbraw/zinc/97/76/04/606977604.db2.gz GOAHVVVVRALCPT-AUUYWEPGSA-N -1 3 367.428 3.276 20 0 FGADHM O=C(CCc1cccc(Cl)c1)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822982687 606994055 /nfs/dbraw/zinc/99/40/55/606994055.db2.gz GVMUONFXTUGKRL-UHFFFAOYSA-N -1 3 360.776 3.335 20 0 FGADHM O=C(CCc1cccc(Cl)c1)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822982687 606994057 /nfs/dbraw/zinc/99/40/57/606994057.db2.gz GVMUONFXTUGKRL-UHFFFAOYSA-N -1 3 360.776 3.335 20 0 FGADHM C[C@H](SCc1ccccc1)C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820548906 606994965 /nfs/dbraw/zinc/99/49/65/606994965.db2.gz HYJOXJXJNDZDPJ-LBPRGKRZSA-N -1 3 372.425 3.371 20 0 FGADHM C[C@H](SCc1ccccc1)C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820548906 606994966 /nfs/dbraw/zinc/99/49/66/606994966.db2.gz HYJOXJXJNDZDPJ-LBPRGKRZSA-N -1 3 372.425 3.371 20 0 FGADHM O=C(C[C@@H]1CCc2ccccc21)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822945318 607000544 /nfs/dbraw/zinc/00/05/44/607000544.db2.gz BEGDHBHYOVVCML-AWEZNQCLSA-N -1 3 352.369 3.169 20 0 FGADHM O=C(C[C@@H]1CCc2ccccc21)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822945318 607000545 /nfs/dbraw/zinc/00/05/45/607000545.db2.gz BEGDHBHYOVVCML-AWEZNQCLSA-N -1 3 352.369 3.169 20 0 FGADHM CC(C)(C)c1ncsc1C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000819971516 607001619 /nfs/dbraw/zinc/00/16/19/607001619.db2.gz NMEAAOPDYFSXNO-UHFFFAOYSA-N -1 3 361.402 3.117 20 0 FGADHM CC(C)(C)c1ncsc1C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000819971516 607001620 /nfs/dbraw/zinc/00/16/20/607001620.db2.gz NMEAAOPDYFSXNO-UHFFFAOYSA-N -1 3 361.402 3.117 20 0 FGADHM Fc1ccc(CSc2nnc(-c3cccs3)o2)cc1-c1nnn[n-]1 ZINC000822773955 607007165 /nfs/dbraw/zinc/00/71/65/607007165.db2.gz CDVQCZGBOYLCHW-UHFFFAOYSA-N -1 3 360.399 3.410 20 0 FGADHM Fc1ccc(CSc2nnc(-c3cccs3)o2)cc1-c1nn[n-]n1 ZINC000822773955 607007166 /nfs/dbraw/zinc/00/71/66/607007166.db2.gz CDVQCZGBOYLCHW-UHFFFAOYSA-N -1 3 360.399 3.410 20 0 FGADHM C[C@@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1cccnc1Cl ZINC000820555045 607016611 /nfs/dbraw/zinc/01/66/11/607016611.db2.gz FEPXQBCEPMFRFJ-SECBINFHSA-N -1 3 360.830 3.034 20 0 FGADHM C[C@@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1cccnc1Cl ZINC000820555045 607016613 /nfs/dbraw/zinc/01/66/13/607016613.db2.gz FEPXQBCEPMFRFJ-SECBINFHSA-N -1 3 360.830 3.034 20 0 FGADHM CC(C)(C)c1ccc(CC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000819958018 607022013 /nfs/dbraw/zinc/02/20/13/607022013.db2.gz GRMRHSMMPIFWJZ-UHFFFAOYSA-N -1 3 367.428 3.162 20 0 FGADHM CC(C)(C)c1ccc(CC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000819958018 607022015 /nfs/dbraw/zinc/02/20/15/607022015.db2.gz GRMRHSMMPIFWJZ-UHFFFAOYSA-N -1 3 367.428 3.162 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1OCc1nc(-c2ccc(Cl)cc2)no1 ZINC000822221574 607030195 /nfs/dbraw/zinc/03/01/95/607030195.db2.gz VQCNVUUNFMFNER-UHFFFAOYSA-N -1 3 368.784 3.458 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1OCc1nc(-c2ccc(Cl)cc2)no1 ZINC000822221574 607030196 /nfs/dbraw/zinc/03/01/96/607030196.db2.gz VQCNVUUNFMFNER-UHFFFAOYSA-N -1 3 368.784 3.458 20 0 FGADHM COc1cccc([C@H]2CN(c3cc(Cl)ccc3-c3nnn[n-]3)CCO2)c1 ZINC000821864130 607040368 /nfs/dbraw/zinc/04/03/68/607040368.db2.gz UDSHTKKTDPCXLC-QGZVFWFLSA-N -1 3 371.828 3.107 20 0 FGADHM COc1cccc([C@H]2CN(c3cc(Cl)ccc3-c3nn[n-]n3)CCO2)c1 ZINC000821864130 607040370 /nfs/dbraw/zinc/04/03/70/607040370.db2.gz UDSHTKKTDPCXLC-QGZVFWFLSA-N -1 3 371.828 3.107 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1OCc1nnc(-c2ccccc2Cl)o1 ZINC000822222781 607042245 /nfs/dbraw/zinc/04/22/45/607042245.db2.gz SRUHBTYCRFQGSW-UHFFFAOYSA-N -1 3 368.784 3.458 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1OCc1nnc(-c2ccccc2Cl)o1 ZINC000822222781 607042246 /nfs/dbraw/zinc/04/22/46/607042246.db2.gz SRUHBTYCRFQGSW-UHFFFAOYSA-N -1 3 368.784 3.458 20 0 FGADHM CN(Cc1nc2ccccc2s1)Cc1cc(F)ccc1-c1nn[n-]n1 ZINC000821618278 607056674 /nfs/dbraw/zinc/05/66/74/607056674.db2.gz YRLXNGYVIKGEHM-UHFFFAOYSA-N -1 3 354.414 3.248 20 0 FGADHM C[C@H](NCc1ccc(-c2nn[n-]n2)cc1F)c1cc(F)c(F)c(F)c1 ZINC000820427564 607057271 /nfs/dbraw/zinc/05/72/71/607057271.db2.gz SXISTLAFFAYKCN-QMMMGPOBSA-N -1 3 351.307 3.274 20 0 FGADHM CCOc1ccc2c(c1)[C@H](NCc1ccc(-c3nnn[n-]3)cc1F)CCO2 ZINC000821426744 607057964 /nfs/dbraw/zinc/05/79/64/607057964.db2.gz IFHOSTZICNQVEN-QGZVFWFLSA-N -1 3 369.400 3.018 20 0 FGADHM CCOc1ccc2c(c1)[C@H](NCc1ccc(-c3nn[n-]n3)cc1F)CCO2 ZINC000821426744 607057966 /nfs/dbraw/zinc/05/79/66/607057966.db2.gz IFHOSTZICNQVEN-QGZVFWFLSA-N -1 3 369.400 3.018 20 0 FGADHM Fc1ccc(-c2nnn[n-]2)c(CN2CCO[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC000822757838 607059054 /nfs/dbraw/zinc/05/90/54/607059054.db2.gz GEPNAKZKSINLHL-QGZVFWFLSA-N -1 3 373.819 3.233 20 0 FGADHM Fc1ccc(-c2nn[n-]n2)c(CN2CCO[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC000822757838 607059055 /nfs/dbraw/zinc/05/90/55/607059055.db2.gz GEPNAKZKSINLHL-QGZVFWFLSA-N -1 3 373.819 3.233 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCc2c(F)cc(F)cc2C1 ZINC000822217860 607067328 /nfs/dbraw/zinc/06/73/28/607067328.db2.gz PUBLWBMKKXDWNY-UHFFFAOYSA-N -1 3 370.363 3.044 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCc2c(F)cc(F)cc2C1 ZINC000822217860 607067331 /nfs/dbraw/zinc/06/73/31/607067331.db2.gz PUBLWBMKKXDWNY-UHFFFAOYSA-N -1 3 370.363 3.044 20 0 FGADHM CC(=CC(=O)OCc1cc(F)ccc1-c1nnn[n-]1)c1cccc(F)c1 ZINC000819766351 607082029 /nfs/dbraw/zinc/08/20/29/607082029.db2.gz XGDHQEYKZSSWMN-YRNVUSSQSA-N -1 3 356.332 3.292 20 0 FGADHM CC(=CC(=O)OCc1cc(F)ccc1-c1nn[n-]n1)c1cccc(F)c1 ZINC000819766351 607082031 /nfs/dbraw/zinc/08/20/31/607082031.db2.gz XGDHQEYKZSSWMN-YRNVUSSQSA-N -1 3 356.332 3.292 20 0 FGADHM O=C(O[C@H](Cc1ccccc1)c1cccnc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823392195 607094413 /nfs/dbraw/zinc/09/44/13/607094413.db2.gz MWXGWSVWFMFTKQ-LJQANCHMSA-N -1 3 371.400 3.403 20 0 FGADHM O=C(O[C@H](Cc1ccccc1)c1cccnc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823392195 607094415 /nfs/dbraw/zinc/09/44/15/607094415.db2.gz MWXGWSVWFMFTKQ-LJQANCHMSA-N -1 3 371.400 3.403 20 0 FGADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc2ccccc2n1C ZINC000821305115 607102238 /nfs/dbraw/zinc/10/22/38/607102238.db2.gz XQIYOLXCIFPUCY-UHFFFAOYSA-N -1 3 361.409 3.043 20 0 FGADHM C[C@@H]1CN(c2c(F)cc(-c3nnn[n-]3)cc2F)C[C@@H](c2ccsc2)O1 ZINC000820769146 607115712 /nfs/dbraw/zinc/11/57/12/607115712.db2.gz RRRMGVADFYUUQI-OTYXRUKQSA-N -1 3 363.393 3.173 20 0 FGADHM C[C@@H]1CN(c2c(F)cc(-c3nn[n-]n3)cc2F)C[C@@H](c2ccsc2)O1 ZINC000820769146 607115713 /nfs/dbraw/zinc/11/57/13/607115713.db2.gz RRRMGVADFYUUQI-OTYXRUKQSA-N -1 3 363.393 3.173 20 0 FGADHM O=C(NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1)[C@H]1CC12CCC2 ZINC000823254402 607129495 /nfs/dbraw/zinc/12/94/95/607129495.db2.gz SVOZWYLMLFLYNT-CQSZACIVSA-N -1 3 365.462 3.402 20 0 FGADHM CCC(=O)c1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000820836468 607150283 /nfs/dbraw/zinc/15/02/83/607150283.db2.gz AMJJOMZPSKWVQR-UHFFFAOYSA-N -1 3 355.785 3.365 20 0 FGADHM CCC(=O)c1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000820836468 607150284 /nfs/dbraw/zinc/15/02/84/607150284.db2.gz AMJJOMZPSKWVQR-UHFFFAOYSA-N -1 3 355.785 3.365 20 0 FGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1C(F)(F)F ZINC000823431654 607155808 /nfs/dbraw/zinc/15/58/08/607155808.db2.gz USHJPJVEYPPBHY-UHFFFAOYSA-N -1 3 366.274 3.382 20 0 FGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1C(F)(F)F ZINC000823431654 607155809 /nfs/dbraw/zinc/15/58/09/607155809.db2.gz USHJPJVEYPPBHY-UHFFFAOYSA-N -1 3 366.274 3.382 20 0 FGADHM Fc1ccc(Cl)cc1NCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000822774257 607167712 /nfs/dbraw/zinc/16/77/12/607167712.db2.gz IFCGOAHKZAJSBW-UHFFFAOYSA-N -1 3 371.763 3.321 20 0 FGADHM Fc1ccc(Cl)cc1NCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822774257 607167713 /nfs/dbraw/zinc/16/77/13/607167713.db2.gz IFCGOAHKZAJSBW-UHFFFAOYSA-N -1 3 371.763 3.321 20 0 FGADHM C[C@@H](N[C@@H](C)c1nc(-c2ccccc2)no1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820411294 607172082 /nfs/dbraw/zinc/17/20/82/607172082.db2.gz IFISCCIPKWCOBQ-OLZOCXBDSA-N -1 3 361.409 3.329 20 0 FGADHM C[C@@H](N[C@@H](C)c1nc(-c2ccccc2)no1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820411294 607172083 /nfs/dbraw/zinc/17/20/83/607172083.db2.gz IFISCCIPKWCOBQ-OLZOCXBDSA-N -1 3 361.409 3.329 20 0 FGADHM CN(C(=O)c1ccc(F)cc1C(F)(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000821574407 607192337 /nfs/dbraw/zinc/19/23/37/607192337.db2.gz FLVARDOLTDKFFQ-UHFFFAOYSA-N -1 3 365.290 3.301 20 0 FGADHM CN(C(=O)c1ccc(F)cc1C(F)(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000821574407 607192338 /nfs/dbraw/zinc/19/23/38/607192338.db2.gz FLVARDOLTDKFFQ-UHFFFAOYSA-N -1 3 365.290 3.301 20 0 FGADHM O=C(NCCCF)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000823187136 607195282 /nfs/dbraw/zinc/19/52/82/607195282.db2.gz CLOWRQSGFVJQHO-UHFFFAOYSA-N -1 3 356.361 3.140 20 0 FGADHM O=C(NCCCF)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000823187136 607195283 /nfs/dbraw/zinc/19/52/83/607195283.db2.gz CLOWRQSGFVJQHO-UHFFFAOYSA-N -1 3 356.361 3.140 20 0 FGADHM O=C(NCc1ccccc1Cl)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823261102 607201106 /nfs/dbraw/zinc/20/11/06/607201106.db2.gz AGSVBABSVVJHDA-UHFFFAOYSA-N -1 3 363.208 3.495 20 0 FGADHM O=C(NCc1ccccc1Cl)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823261102 607201107 /nfs/dbraw/zinc/20/11/07/607201107.db2.gz AGSVBABSVVJHDA-UHFFFAOYSA-N -1 3 363.208 3.495 20 0 FGADHM C[C@@H](CNC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)Oc1ccccc1 ZINC000820270021 607204094 /nfs/dbraw/zinc/20/40/94/607204094.db2.gz SESVXGRTGUBDDD-NSHDSACASA-N -1 3 372.816 3.109 20 0 FGADHM C[C@@H](CNC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)Oc1ccccc1 ZINC000820270021 607204095 /nfs/dbraw/zinc/20/40/95/607204095.db2.gz SESVXGRTGUBDDD-NSHDSACASA-N -1 3 372.816 3.109 20 0 FGADHM O=C(N[C@H]1CC2CCC1CC2)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000823144374 607215083 /nfs/dbraw/zinc/21/50/83/607215083.db2.gz FXKUYMLKVOXTLF-RWKZGTHUSA-N -1 3 366.469 3.119 20 0 FGADHM O=C(N[C@H]1CC2CCC1CC2)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000823144374 607215084 /nfs/dbraw/zinc/21/50/84/607215084.db2.gz FXKUYMLKVOXTLF-RWKZGTHUSA-N -1 3 366.469 3.119 20 0 FGADHM COc1ccccc1[C@@H](NCc1ccc(-c2nnn[n-]2)cc1)c1ccco1 ZINC000821882667 607229938 /nfs/dbraw/zinc/22/99/38/607229938.db2.gz HOOJZQVGYLQBSH-LJQANCHMSA-N -1 3 361.405 3.348 20 0 FGADHM COc1ccccc1[C@@H](NCc1ccc(-c2nn[n-]n2)cc1)c1ccco1 ZINC000821882667 607229939 /nfs/dbraw/zinc/22/99/39/607229939.db2.gz HOOJZQVGYLQBSH-LJQANCHMSA-N -1 3 361.405 3.348 20 0 FGADHM CC(C)C[C@@H](NC(=O)c1ncc(-c2nnn[n-]2)cc1Cl)c1ccccc1 ZINC000820055293 607232369 /nfs/dbraw/zinc/23/23/69/607232369.db2.gz HUELXMXRAGEQJL-OAHLLOKOSA-N -1 3 370.844 3.432 20 0 FGADHM CC(C)C[C@@H](NC(=O)c1ncc(-c2nn[n-]n2)cc1Cl)c1ccccc1 ZINC000820055293 607232370 /nfs/dbraw/zinc/23/23/70/607232370.db2.gz HUELXMXRAGEQJL-OAHLLOKOSA-N -1 3 370.844 3.432 20 0 FGADHM Cc1ccc(OCCCC(=O)Oc2ccc(-c3nnn[n-]3)cc2F)c(C)c1 ZINC000822263465 607248908 /nfs/dbraw/zinc/24/89/08/607248908.db2.gz PJKVNESYTBLWSW-UHFFFAOYSA-N -1 3 370.384 3.387 20 0 FGADHM Cc1ccc(OCCCC(=O)Oc2ccc(-c3nn[n-]n3)cc2F)c(C)c1 ZINC000822263465 607248909 /nfs/dbraw/zinc/24/89/09/607248909.db2.gz PJKVNESYTBLWSW-UHFFFAOYSA-N -1 3 370.384 3.387 20 0 FGADHM Cc1cc(N(C)C)cc(C)c1NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000826269011 607775244 /nfs/dbraw/zinc/77/52/44/607775244.db2.gz XKZTVILHSCNYTG-MDZDMXLPSA-N -1 3 362.437 3.201 20 0 FGADHM Cc1cc(N(C)C)cc(C)c1NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000826269011 607775245 /nfs/dbraw/zinc/77/52/45/607775245.db2.gz XKZTVILHSCNYTG-MDZDMXLPSA-N -1 3 362.437 3.201 20 0 FGADHM Cc1cc(N(C)C)cc(C)c1NC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000826268783 607776237 /nfs/dbraw/zinc/77/62/37/607776237.db2.gz NHLBTAYMJOZGBX-UHFFFAOYSA-N -1 3 364.453 3.121 20 0 FGADHM Cc1cc(N(C)C)cc(C)c1NC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000826268783 607776238 /nfs/dbraw/zinc/77/62/38/607776238.db2.gz NHLBTAYMJOZGBX-UHFFFAOYSA-N -1 3 364.453 3.121 20 0 FGADHM CC[C@H](CC(=O)Nc1ccccc1-c1nnn[n-]1)c1ccc(OC)cc1 ZINC000825081263 607782195 /nfs/dbraw/zinc/78/21/95/607782195.db2.gz HZQKDOBBVZAUMH-CYBMUJFWSA-N -1 3 351.410 3.398 20 0 FGADHM CC[C@H](CC(=O)Nc1ccccc1-c1nn[n-]n1)c1ccc(OC)cc1 ZINC000825081263 607782196 /nfs/dbraw/zinc/78/21/96/607782196.db2.gz HZQKDOBBVZAUMH-CYBMUJFWSA-N -1 3 351.410 3.398 20 0 FGADHM O=C(Cc1csc2ccc(Cl)cc12)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000826423908 607786108 /nfs/dbraw/zinc/78/61/08/607786108.db2.gz MLWJSTRMKLQRKV-UHFFFAOYSA-N -1 3 370.825 3.311 20 0 FGADHM O=C(Cc1csc2ccc(Cl)cc12)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000826423908 607786109 /nfs/dbraw/zinc/78/61/09/607786109.db2.gz MLWJSTRMKLQRKV-UHFFFAOYSA-N -1 3 370.825 3.311 20 0 FGADHM CCC(CC)n1ccc(C(=O)N(CC)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000825114765 607796352 /nfs/dbraw/zinc/79/63/52/607796352.db2.gz PREUCJGAJMPORS-UHFFFAOYSA-N -1 3 353.430 3.091 20 0 FGADHM CCC(CC)n1ccc(C(=O)N(CC)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000825114765 607796353 /nfs/dbraw/zinc/79/63/53/607796353.db2.gz PREUCJGAJMPORS-UHFFFAOYSA-N -1 3 353.430 3.091 20 0 FGADHM CCN(C(=O)[C@H]1C[C@@H]1c1cccc(F)c1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367374 607797286 /nfs/dbraw/zinc/79/72/86/607797286.db2.gz OKJKIZCUVGXTQR-CABCVRRESA-N -1 3 369.375 3.302 20 0 FGADHM CCN(C(=O)[C@H]1C[C@@H]1c1cccc(F)c1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367374 607797287 /nfs/dbraw/zinc/79/72/87/607797287.db2.gz OKJKIZCUVGXTQR-CABCVRRESA-N -1 3 369.375 3.302 20 0 FGADHM CCN(C(=O)[C@@H](C)c1ccc(OC)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825362875 607799024 /nfs/dbraw/zinc/79/90/24/607799024.db2.gz SECKSGXIHDURDE-ZDUSSCGKSA-N -1 3 351.410 3.032 20 0 FGADHM CCN(C(=O)[C@@H](C)c1ccc(OC)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825362875 607799025 /nfs/dbraw/zinc/79/90/25/607799025.db2.gz SECKSGXIHDURDE-ZDUSSCGKSA-N -1 3 351.410 3.032 20 0 FGADHM CCN(C(=O)c1cc2ccccc2nc1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825379684 607799986 /nfs/dbraw/zinc/79/99/86/607799986.db2.gz JYGLNSBRCZXAGY-UHFFFAOYSA-N -1 3 358.405 3.390 20 0 FGADHM CCN(C(=O)c1cc2ccccc2nc1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825379684 607799987 /nfs/dbraw/zinc/79/99/87/607799987.db2.gz JYGLNSBRCZXAGY-UHFFFAOYSA-N -1 3 358.405 3.390 20 0 FGADHM CC(=O)c1c(C)[nH]c(C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)c1C(C)C ZINC000824010409 607805810 /nfs/dbraw/zinc/80/58/10/607805810.db2.gz MSZTYLFSXWZHRW-UHFFFAOYSA-N -1 3 366.425 3.390 20 0 FGADHM CC(=O)c1c(C)[nH]c(C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)c1C(C)C ZINC000824010409 607805811 /nfs/dbraw/zinc/80/58/11/607805811.db2.gz MSZTYLFSXWZHRW-UHFFFAOYSA-N -1 3 366.425 3.390 20 0 FGADHM Cc1cc(Cl)ncc1OCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000826267506 607812083 /nfs/dbraw/zinc/81/20/83/607812083.db2.gz ITYCWDGRBDJFBG-UHFFFAOYSA-N -1 3 367.743 3.404 20 0 FGADHM Cc1cc(Cl)ncc1OCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000826267506 607812084 /nfs/dbraw/zinc/81/20/84/607812084.db2.gz ITYCWDGRBDJFBG-UHFFFAOYSA-N -1 3 367.743 3.404 20 0 FGADHM CC(C)(C)SCCCC(=O)OCCOc1ccccc1-c1nnn[n-]1 ZINC000824123315 607826151 /nfs/dbraw/zinc/82/61/51/607826151.db2.gz DLMRNOCTXILTIE-UHFFFAOYSA-N -1 3 364.471 3.101 20 0 FGADHM CC(C)(C)SCCCC(=O)OCCOc1ccccc1-c1nn[n-]n1 ZINC000824123315 607826152 /nfs/dbraw/zinc/82/61/52/607826152.db2.gz DLMRNOCTXILTIE-UHFFFAOYSA-N -1 3 364.471 3.101 20 0 FGADHM Cc1noc(C)c1[C@H](C)CC(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826338186 607837030 /nfs/dbraw/zinc/83/70/30/607837030.db2.gz NJHBGMLKLSSCLL-PWSUYJOCSA-N -1 3 355.398 3.270 20 0 FGADHM Cc1noc(C)c1[C@H](C)CC(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826338186 607837031 /nfs/dbraw/zinc/83/70/31/607837031.db2.gz NJHBGMLKLSSCLL-PWSUYJOCSA-N -1 3 355.398 3.270 20 0 FGADHM FC(F)(F)c1cc(N2CC[C@H](C3CCOCC3)C2)ccc1-c1nnn[n-]1 ZINC000826368366 607851393 /nfs/dbraw/zinc/85/13/93/607851393.db2.gz MQHIPQSYTSLUOY-LBPRGKRZSA-N -1 3 367.375 3.138 20 0 FGADHM FC(F)(F)c1cc(N2CC[C@H](C3CCOCC3)C2)ccc1-c1nn[n-]n1 ZINC000826368366 607851394 /nfs/dbraw/zinc/85/13/94/607851394.db2.gz MQHIPQSYTSLUOY-LBPRGKRZSA-N -1 3 367.375 3.138 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1c(C)onc1CC ZINC000825318888 607857203 /nfs/dbraw/zinc/85/72/03/607857203.db2.gz TZWWPMYUJWAURQ-UHFFFAOYSA-N -1 3 369.429 3.170 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1c(C)onc1CC ZINC000825318888 607857204 /nfs/dbraw/zinc/85/72/04/607857204.db2.gz TZWWPMYUJWAURQ-UHFFFAOYSA-N -1 3 369.429 3.170 20 0 FGADHM CCc1noc(C)c1NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000825770517 607857292 /nfs/dbraw/zinc/85/72/92/607857292.db2.gz AAGDESYFRDIFCP-UHFFFAOYSA-N -1 3 369.429 3.168 20 0 FGADHM CCc1noc(C)c1NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000825770517 607857293 /nfs/dbraw/zinc/85/72/93/607857293.db2.gz AAGDESYFRDIFCP-UHFFFAOYSA-N -1 3 369.429 3.168 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)Nc1nc2ccccc2n1C1CC1 ZINC000826402026 607861897 /nfs/dbraw/zinc/86/18/97/607861897.db2.gz LLWLILAYODEDDV-FMIVXFBMSA-N -1 3 371.404 3.203 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)Nc1nc2ccccc2n1C1CC1 ZINC000826402026 607861898 /nfs/dbraw/zinc/86/18/98/607861898.db2.gz LLWLILAYODEDDV-FMIVXFBMSA-N -1 3 371.404 3.203 20 0 FGADHM O[C@@H](COc1ccc(Cl)cc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000826505602 607869908 /nfs/dbraw/zinc/86/99/08/607869908.db2.gz ZWEAMVBWIJUGTK-ZDUSSCGKSA-N -1 3 351.193 3.286 20 0 FGADHM O[C@@H](COc1ccc(Cl)cc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000826505602 607869909 /nfs/dbraw/zinc/86/99/09/607869909.db2.gz ZWEAMVBWIJUGTK-ZDUSSCGKSA-N -1 3 351.193 3.286 20 0 FGADHM O[C@H](COc1c(Cl)cccc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000826503678 607870253 /nfs/dbraw/zinc/87/02/53/607870253.db2.gz COYLQGQWLRXZMI-CYBMUJFWSA-N -1 3 351.193 3.286 20 0 FGADHM O[C@H](COc1c(Cl)cccc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000826503678 607870254 /nfs/dbraw/zinc/87/02/54/607870254.db2.gz COYLQGQWLRXZMI-CYBMUJFWSA-N -1 3 351.193 3.286 20 0 FGADHM CCN(C(=O)c1cccc(OC)c1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825385658 607879190 /nfs/dbraw/zinc/87/91/90/607879190.db2.gz PKQYHYKGTXIQBA-UHFFFAOYSA-N -1 3 357.801 3.195 20 0 FGADHM CCN(C(=O)c1cccc(OC)c1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825385658 607879191 /nfs/dbraw/zinc/87/91/91/607879191.db2.gz PKQYHYKGTXIQBA-UHFFFAOYSA-N -1 3 357.801 3.195 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000826185853 607889685 /nfs/dbraw/zinc/88/96/85/607889685.db2.gz WBXXCBITTGKVFG-VNHYZAJKSA-N -1 3 355.442 3.420 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000826185853 607889686 /nfs/dbraw/zinc/88/96/86/607889686.db2.gz WBXXCBITTGKVFG-VNHYZAJKSA-N -1 3 355.442 3.420 20 0 FGADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2cnn(CC(C)C)c2CC)s1 ZINC000825693694 607925047 /nfs/dbraw/zinc/92/50/47/607925047.db2.gz AGLOATHLBRNELK-UHFFFAOYSA-N -1 3 373.486 3.158 20 0 FGADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2cnn(CC(C)C)c2CC)s1 ZINC000825693694 607925048 /nfs/dbraw/zinc/92/50/48/607925048.db2.gz AGLOATHLBRNELK-UHFFFAOYSA-N -1 3 373.486 3.158 20 0 FGADHM O=C(c1cc(-c2ccccc2)ns1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826469749 607951080 /nfs/dbraw/zinc/95/10/80/607951080.db2.gz QIXMTIHPBOBGER-UHFFFAOYSA-N -1 3 374.429 3.193 20 0 FGADHM O=C(c1cc(-c2ccccc2)ns1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826469749 607951081 /nfs/dbraw/zinc/95/10/81/607951081.db2.gz QIXMTIHPBOBGER-UHFFFAOYSA-N -1 3 374.429 3.193 20 0 FGADHM CCC[C@@H]1CN(c2c(-c3nnn[n-]3)cnc3c(C)cc(C)cc32)CCO1 ZINC000825259588 607969766 /nfs/dbraw/zinc/96/97/66/607969766.db2.gz JNNLAMOSWFUGIJ-CQSZACIVSA-N -1 3 352.442 3.037 20 0 FGADHM CCC[C@@H]1CN(c2c(-c3nn[n-]n3)cnc3c(C)cc(C)cc32)CCO1 ZINC000825259588 607969767 /nfs/dbraw/zinc/96/97/67/607969767.db2.gz JNNLAMOSWFUGIJ-CQSZACIVSA-N -1 3 352.442 3.037 20 0 FGADHM CCCn1c2ccc(-c3nnn[n-]3)cc2nc1-c1cc(OC)cc(OC)c1 ZINC000825353599 607975056 /nfs/dbraw/zinc/97/50/56/607975056.db2.gz ZBBJCIZHDLXYSQ-UHFFFAOYSA-N -1 3 364.409 3.311 20 0 FGADHM CCCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1cc(OC)cc(OC)c1 ZINC000825353599 607975057 /nfs/dbraw/zinc/97/50/57/607975057.db2.gz ZBBJCIZHDLXYSQ-UHFFFAOYSA-N -1 3 364.409 3.311 20 0 FGADHM Cc1cc(Cl)cc(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)c1O ZINC000826267831 607999613 /nfs/dbraw/zinc/99/96/13/607999613.db2.gz YJJOVNYVMGLZER-VOTSOKGWSA-N -1 3 355.785 3.186 20 0 FGADHM O=C(C=Cc1ccc(Cl)nc1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826399869 608000493 /nfs/dbraw/zinc/00/04/93/608000493.db2.gz IRIAYROTBBBQCX-KXFIGUGUSA-N -1 3 361.192 3.220 20 0 FGADHM O=C(C=Cc1ccc(Cl)nc1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826399869 608000494 /nfs/dbraw/zinc/00/04/94/608000494.db2.gz IRIAYROTBBBQCX-KXFIGUGUSA-N -1 3 361.192 3.220 20 0 FGADHM COc1ccc(C[C@@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000826191207 608006551 /nfs/dbraw/zinc/00/65/51/608006551.db2.gz ZXOSIULSCUSTFT-LLVKDONJSA-N -1 3 371.828 3.346 20 0 FGADHM COc1ccc(C[C@@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000826191207 608006552 /nfs/dbraw/zinc/00/65/52/608006552.db2.gz ZXOSIULSCUSTFT-LLVKDONJSA-N -1 3 371.828 3.346 20 0 FGADHM CC[C@@H](C)n1ncc(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c1C1CC1 ZINC000825081642 608026937 /nfs/dbraw/zinc/02/69/37/608026937.db2.gz LGZQVUQXXHGDCY-SNVBAGLBSA-N -1 3 369.404 3.303 20 0 FGADHM CC[C@@H](C)n1ncc(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c1C1CC1 ZINC000825081642 608026938 /nfs/dbraw/zinc/02/69/38/608026938.db2.gz LGZQVUQXXHGDCY-SNVBAGLBSA-N -1 3 369.404 3.303 20 0 FGADHM CCc1c(C)sc(NC(=O)c2scnc2C2CC2)c1-c1nnn[n-]1 ZINC000825687621 608027084 /nfs/dbraw/zinc/02/70/84/608027084.db2.gz KNNADYRLCOXJKK-UHFFFAOYSA-N -1 3 360.468 3.385 20 0 FGADHM CCc1c(C)sc(NC(=O)c2scnc2C2CC2)c1-c1nn[n-]n1 ZINC000825687621 608027085 /nfs/dbraw/zinc/02/70/85/608027085.db2.gz KNNADYRLCOXJKK-UHFFFAOYSA-N -1 3 360.468 3.385 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)CCCc1cc(F)ccc1F ZINC000826185992 608057245 /nfs/dbraw/zinc/05/72/45/608057245.db2.gz ZZELDDVNPGHJPX-UHFFFAOYSA-N -1 3 373.363 3.115 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)CCCc1cc(F)ccc1F ZINC000826185992 608057246 /nfs/dbraw/zinc/05/72/46/608057246.db2.gz ZZELDDVNPGHJPX-UHFFFAOYSA-N -1 3 373.363 3.115 20 0 FGADHM O=C(OCCCSCc1ccccc1)c1sccc1-c1nnn[n-]1 ZINC000826463450 608057445 /nfs/dbraw/zinc/05/74/45/608057445.db2.gz GVSSQHAYQSVOII-UHFFFAOYSA-N -1 3 360.464 3.409 20 0 FGADHM O=C(OCCCSCc1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000826463524 608057569 /nfs/dbraw/zinc/05/75/69/608057569.db2.gz JJWKRZHIOFKCMR-UHFFFAOYSA-N -1 3 354.435 3.347 20 0 FGADHM O=C(OCCCSCc1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000826463524 608057570 /nfs/dbraw/zinc/05/75/70/608057570.db2.gz JJWKRZHIOFKCMR-UHFFFAOYSA-N -1 3 354.435 3.347 20 0 FGADHM CCc1c(C)sc(NC(=O)CSCC(F)(F)F)c1-c1nnn[n-]1 ZINC000825687019 608062825 /nfs/dbraw/zinc/06/28/25/608062825.db2.gz DIYYHKNMIMFJQI-UHFFFAOYSA-N -1 3 365.406 3.033 20 0 FGADHM CCc1c(C)sc(NC(=O)CSCC(F)(F)F)c1-c1nn[n-]n1 ZINC000825687019 608062826 /nfs/dbraw/zinc/06/28/26/608062826.db2.gz DIYYHKNMIMFJQI-UHFFFAOYSA-N -1 3 365.406 3.033 20 0 FGADHM O=C(Oc1ccc(Cl)c(F)c1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000826468416 608074359 /nfs/dbraw/zinc/07/43/59/608074359.db2.gz PHUZIWGBEXTGJN-UHFFFAOYSA-N -1 3 354.675 3.157 20 0 FGADHM O=C(Oc1ccc(Cl)c(F)c1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826468416 608074360 /nfs/dbraw/zinc/07/43/60/608074360.db2.gz PHUZIWGBEXTGJN-UHFFFAOYSA-N -1 3 354.675 3.157 20 0 FGADHM C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000824970429 608102679 /nfs/dbraw/zinc/10/26/79/608102679.db2.gz XETKCTQYEWKVKC-PFSXUZBTSA-N -1 3 359.433 3.320 20 0 FGADHM C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000824970429 608102680 /nfs/dbraw/zinc/10/26/80/608102680.db2.gz XETKCTQYEWKVKC-PFSXUZBTSA-N -1 3 359.433 3.320 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H](C)c1c(F)cccc1F ZINC000825620959 608119938 /nfs/dbraw/zinc/11/99/38/608119938.db2.gz KGENKTCBZHGCEW-JTQLQIEISA-N -1 3 373.363 3.286 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H](C)c1c(F)cccc1F ZINC000825620959 608119939 /nfs/dbraw/zinc/11/99/39/608119939.db2.gz KGENKTCBZHGCEW-JTQLQIEISA-N -1 3 373.363 3.286 20 0 FGADHM O=C(O[C@H]1CCOc2c(Cl)cccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000826463112 608128918 /nfs/dbraw/zinc/12/89/18/608128918.db2.gz TXGVQPUNNMDICG-AWEZNQCLSA-N -1 3 356.769 3.201 20 0 FGADHM O=C(O[C@H]1CCOc2c(Cl)cccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000826463112 608128919 /nfs/dbraw/zinc/12/89/19/608128919.db2.gz TXGVQPUNNMDICG-AWEZNQCLSA-N -1 3 356.769 3.201 20 0 FGADHM C[C@@H]1CCCC[C@@H]1CNc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1 ZINC000824936503 608131497 /nfs/dbraw/zinc/13/14/97/608131497.db2.gz IHLXWSBSEGUMKN-HUUCEWRRSA-N -1 3 370.501 3.066 20 0 FGADHM C[C@@H]1CCCC[C@@H]1CNc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1 ZINC000824936503 608131498 /nfs/dbraw/zinc/13/14/98/608131498.db2.gz IHLXWSBSEGUMKN-HUUCEWRRSA-N -1 3 370.501 3.066 20 0 FGADHM c1cc(CNc2ccc(-c3n[nH]c(C4CC4)n3)cc2)cc(-c2nnn[n-]2)c1 ZINC000826516531 608161401 /nfs/dbraw/zinc/16/14/01/608161401.db2.gz OEQSNZSIVMMTFD-UHFFFAOYSA-N -1 3 358.409 3.141 20 0 FGADHM c1cc(CNc2ccc(-c3n[nH]c(C4CC4)n3)cc2)cc(-c2nn[n-]n2)c1 ZINC000826516531 608161405 /nfs/dbraw/zinc/16/14/05/608161405.db2.gz OEQSNZSIVMMTFD-UHFFFAOYSA-N -1 3 358.409 3.141 20 0 FGADHM COc1ccccc1C(C)(C)C(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826218779 608186000 /nfs/dbraw/zinc/18/60/00/608186000.db2.gz KTWNBRWVCKTGFD-CYBMUJFWSA-N -1 3 366.421 3.457 20 0 FGADHM COc1ccccc1C(C)(C)C(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826218779 608186001 /nfs/dbraw/zinc/18/60/01/608186001.db2.gz KTWNBRWVCKTGFD-CYBMUJFWSA-N -1 3 366.421 3.457 20 0 FGADHM CC(C)(C)[C@H](O)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824072517 608199735 /nfs/dbraw/zinc/19/97/35/608199735.db2.gz WIMZYDAIDYOXIF-MRXNPFEDSA-N -1 3 367.409 3.005 20 0 FGADHM CC(C)(C)[C@H](O)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824072517 608199737 /nfs/dbraw/zinc/19/97/37/608199737.db2.gz WIMZYDAIDYOXIF-MRXNPFEDSA-N -1 3 367.409 3.005 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(C(C)C)on1 ZINC000825332757 608200010 /nfs/dbraw/zinc/20/00/10/608200010.db2.gz LRBCMEFQFCZMMD-UHFFFAOYSA-N -1 3 355.402 3.052 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cccnc1C(F)(F)F ZINC000826452392 608201567 /nfs/dbraw/zinc/20/15/67/608201567.db2.gz RMJWAQCSUOHHOM-UHFFFAOYSA-N -1 3 368.706 3.186 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cccnc1C(F)(F)F ZINC000826452392 608201569 /nfs/dbraw/zinc/20/15/69/608201569.db2.gz RMJWAQCSUOHHOM-UHFFFAOYSA-N -1 3 368.706 3.186 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CC[C@H](C)C2(CCC2)C1 ZINC000825620496 608204900 /nfs/dbraw/zinc/20/49/00/608204900.db2.gz CHMHBXJUETWPLD-ZDUSSCGKSA-N -1 3 370.457 3.309 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CC[C@H](C)C2(CCC2)C1 ZINC000825620496 608204901 /nfs/dbraw/zinc/20/49/01/608204901.db2.gz CHMHBXJUETWPLD-ZDUSSCGKSA-N -1 3 370.457 3.309 20 0 FGADHM C[C@H](Sc1cccc(Cl)c1-c1nnn[n-]1)C(=O)NC1CCCC1 ZINC000824754115 608206013 /nfs/dbraw/zinc/20/60/13/608206013.db2.gz HWVYQNBPAKNVPZ-VIFPVBQESA-N -1 3 351.863 3.060 20 0 FGADHM C[C@H](Sc1cccc(Cl)c1-c1nn[n-]n1)C(=O)NC1CCCC1 ZINC000824754115 608206015 /nfs/dbraw/zinc/20/60/15/608206015.db2.gz HWVYQNBPAKNVPZ-VIFPVBQESA-N -1 3 351.863 3.060 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC[C@H](O)c1ccc(Cl)cc1 ZINC000825609020 608220250 /nfs/dbraw/zinc/22/02/50/608220250.db2.gz HZQZIYDBSHXHBQ-AWEZNQCLSA-N -1 3 360.801 3.031 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC[C@H](O)c1ccc(Cl)cc1 ZINC000825609020 608220252 /nfs/dbraw/zinc/22/02/52/608220252.db2.gz HZQZIYDBSHXHBQ-AWEZNQCLSA-N -1 3 360.801 3.031 20 0 FGADHM CC(C)(C)c1nc(CCNc2ncc(-c3nnn[n-]3)cc2Cl)cs1 ZINC000824141208 608230441 /nfs/dbraw/zinc/23/04/41/608230441.db2.gz DZBQEGUZTMYEGM-UHFFFAOYSA-N -1 3 363.878 3.324 20 0 FGADHM CC(C)(C)c1nc(CCNc2ncc(-c3nn[n-]n3)cc2Cl)cs1 ZINC000824141208 608230442 /nfs/dbraw/zinc/23/04/42/608230442.db2.gz DZBQEGUZTMYEGM-UHFFFAOYSA-N -1 3 363.878 3.324 20 0 FGADHM c1ccc(N[C@H]2CCCN(c3ccc4cc(-c5nnn[n-]5)ccc4n3)C2)cc1 ZINC000826522235 608233793 /nfs/dbraw/zinc/23/37/93/608233793.db2.gz SAVWJTUTERLDJM-SFHVURJKSA-N -1 3 371.448 3.496 20 0 FGADHM c1ccc(N[C@H]2CCCN(c3ccc4cc(-c5nn[n-]n5)ccc4n3)C2)cc1 ZINC000826522235 608233794 /nfs/dbraw/zinc/23/37/94/608233794.db2.gz SAVWJTUTERLDJM-SFHVURJKSA-N -1 3 371.448 3.496 20 0 FGADHM Clc1cc(-c2nnn[n-]2)cnc1N[C@H](c1ccccc1)[C@H]1CCOC1 ZINC000826351014 608238383 /nfs/dbraw/zinc/23/83/83/608238383.db2.gz UEVNZSPTFMKQEN-SWLSCSKDSA-N -1 3 356.817 3.105 20 0 FGADHM Clc1cc(-c2nn[n-]n2)cnc1N[C@H](c1ccccc1)[C@H]1CCOC1 ZINC000826351014 608238385 /nfs/dbraw/zinc/23/83/85/608238385.db2.gz UEVNZSPTFMKQEN-SWLSCSKDSA-N -1 3 356.817 3.105 20 0 FGADHM Cc1cccc(OCCCC(=O)OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826300452 608244532 /nfs/dbraw/zinc/24/45/32/608244532.db2.gz VSCHZVBIAYRZEE-UHFFFAOYSA-N -1 3 352.394 3.078 20 0 FGADHM Cc1cccc(OCCCC(=O)OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826300452 608244533 /nfs/dbraw/zinc/24/45/33/608244533.db2.gz VSCHZVBIAYRZEE-UHFFFAOYSA-N -1 3 352.394 3.078 20 0 FGADHM O=C(C=C1CCSCC1)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000826399635 608259529 /nfs/dbraw/zinc/25/95/29/608259529.db2.gz AYRZEPQUTWTHMA-UHFFFAOYSA-N -1 3 361.496 3.199 20 0 FGADHM O=C(C=C1CCSCC1)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000826399635 608259530 /nfs/dbraw/zinc/25/95/30/608259530.db2.gz AYRZEPQUTWTHMA-UHFFFAOYSA-N -1 3 361.496 3.199 20 0 FGADHM C[C@@H](c1cccnc1)N(C)Cc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000824771140 608260283 /nfs/dbraw/zinc/26/02/83/608260283.db2.gz PQNFWCCPCNRTDH-NSHDSACASA-N -1 3 360.368 3.056 20 0 FGADHM C[C@@H](OC(=O)c1cn(C)nc1-c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824722963 608261561 /nfs/dbraw/zinc/26/15/61/608261561.db2.gz KYBIFVUPGYJXKA-CYBMUJFWSA-N -1 3 374.404 3.185 20 0 FGADHM C[C@@H](OC(=O)c1cn(C)nc1-c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824722963 608261562 /nfs/dbraw/zinc/26/15/62/608261562.db2.gz KYBIFVUPGYJXKA-CYBMUJFWSA-N -1 3 374.404 3.185 20 0 FGADHM CC[C@H]1CC[C@@H](C)N1C(=O)NCCSCc1ccccc1-c1nnn[n-]1 ZINC000825193561 608269839 /nfs/dbraw/zinc/26/98/39/608269839.db2.gz MJBIAMCWIHGCGD-HIFRSBDPSA-N -1 3 374.514 3.072 20 0 FGADHM CC[C@H]1CC[C@@H](C)N1C(=O)NCCSCc1ccccc1-c1nn[n-]n1 ZINC000825193561 608269840 /nfs/dbraw/zinc/26/98/40/608269840.db2.gz MJBIAMCWIHGCGD-HIFRSBDPSA-N -1 3 374.514 3.072 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)c(NCc2ccc(OCc3ccccn3)cc2)n1 ZINC000826276618 608277132 /nfs/dbraw/zinc/27/71/32/608277132.db2.gz OFIBAXNOXYFJDJ-UHFFFAOYSA-N -1 3 373.420 3.156 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)c(NCc2ccc(OCc3ccccn3)cc2)n1 ZINC000826276618 608277133 /nfs/dbraw/zinc/27/71/33/608277133.db2.gz OFIBAXNOXYFJDJ-UHFFFAOYSA-N -1 3 373.420 3.156 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)c(NCc2cccc(NC(=O)CC(C)C)c2)n1 ZINC000826276902 608278811 /nfs/dbraw/zinc/27/88/11/608278811.db2.gz CCPHBXNIMCAEKX-UHFFFAOYSA-N -1 3 365.441 3.167 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)c(NCc2cccc(NC(=O)CC(C)C)c2)n1 ZINC000826276902 608278812 /nfs/dbraw/zinc/27/88/12/608278812.db2.gz CCPHBXNIMCAEKX-UHFFFAOYSA-N -1 3 365.441 3.167 20 0 FGADHM COCCC1(CNc2nc3c(cc2-c2nnn[n-]2)CCCC3)CCCC1 ZINC000826155303 608296133 /nfs/dbraw/zinc/29/61/33/608296133.db2.gz LVVJBCSMWCAMDN-UHFFFAOYSA-N -1 3 356.474 3.149 20 0 FGADHM COCCC1(CNc2nc3c(cc2-c2nn[n-]n2)CCCC3)CCCC1 ZINC000826155303 608296135 /nfs/dbraw/zinc/29/61/35/608296135.db2.gz LVVJBCSMWCAMDN-UHFFFAOYSA-N -1 3 356.474 3.149 20 0 FGADHM COc1cccc2c1CC[C@H]2Nc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC000826217801 608296185 /nfs/dbraw/zinc/29/61/85/608296185.db2.gz COIQJXVOLMDARR-QGZVFWFLSA-N -1 3 362.437 3.249 20 0 FGADHM COc1cccc2c1CC[C@H]2Nc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC000826217801 608296186 /nfs/dbraw/zinc/29/61/86/608296186.db2.gz COIQJXVOLMDARR-QGZVFWFLSA-N -1 3 362.437 3.249 20 0 FGADHM C[C@H](C[C@H](O)c1ccccc1)Nc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC000824394830 608296633 /nfs/dbraw/zinc/29/66/33/608296633.db2.gz ZAGIYNPAGRSLNZ-ACJLOTCBSA-N -1 3 364.453 3.065 20 0 FGADHM C[C@H](C[C@H](O)c1ccccc1)Nc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC000824394830 608296635 /nfs/dbraw/zinc/29/66/35/608296635.db2.gz ZAGIYNPAGRSLNZ-ACJLOTCBSA-N -1 3 364.453 3.065 20 0 FGADHM CCN(C(=O)C(=O)c1ccc(C)cc1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825361088 608343188 /nfs/dbraw/zinc/34/31/88/608343188.db2.gz BVTIUWVQGIKEMZ-UHFFFAOYSA-N -1 3 369.812 3.064 20 0 FGADHM CCN(C(=O)C(=O)c1ccc(C)cc1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825361088 608343190 /nfs/dbraw/zinc/34/31/90/608343190.db2.gz BVTIUWVQGIKEMZ-UHFFFAOYSA-N -1 3 369.812 3.064 20 0 FGADHM CCN(C(=O)C1CCSCC1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825367602 608346683 /nfs/dbraw/zinc/34/66/83/608346683.db2.gz UBIVAHUPKVFZSS-UHFFFAOYSA-N -1 3 351.863 3.016 20 0 FGADHM CCN(C(=O)C1CCSCC1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825367602 608346686 /nfs/dbraw/zinc/34/66/86/608346686.db2.gz UBIVAHUPKVFZSS-UHFFFAOYSA-N -1 3 351.863 3.016 20 0 FGADHM CC[C@@](C)(NCc1ccc(-c2nnn[n-]2)cc1OC)c1nc(C)cs1 ZINC000825044101 608371767 /nfs/dbraw/zinc/37/17/67/608371767.db2.gz NZBPIIKTWISTMG-QGZVFWFLSA-N -1 3 358.471 3.055 20 0 FGADHM CC[C@@](C)(NCc1ccc(-c2nn[n-]n2)cc1OC)c1nc(C)cs1 ZINC000825044101 608371769 /nfs/dbraw/zinc/37/17/69/608371769.db2.gz NZBPIIKTWISTMG-QGZVFWFLSA-N -1 3 358.471 3.055 20 0 FGADHM COc1ccc(Cl)cc1CN(C)Cc1cccc(-c2nnn[n-]2)c1F ZINC000826208268 608384637 /nfs/dbraw/zinc/38/46/37/608384637.db2.gz BWJNOHHKHFRPJC-UHFFFAOYSA-N -1 3 361.808 3.300 20 0 FGADHM COc1ccc(Cl)cc1CN(C)Cc1cccc(-c2nn[n-]n2)c1F ZINC000826208268 608384639 /nfs/dbraw/zinc/38/46/39/608384639.db2.gz BWJNOHHKHFRPJC-UHFFFAOYSA-N -1 3 361.808 3.300 20 0 FGADHM CCN(Cc1cccc(-c2nnn[n-]2)c1F)Cc1ccc(OC)cc1OC ZINC000825435431 608388570 /nfs/dbraw/zinc/38/85/70/608388570.db2.gz XWYGMPUELRXODS-UHFFFAOYSA-N -1 3 371.416 3.045 20 0 FGADHM CCN(Cc1cccc(-c2nn[n-]n2)c1F)Cc1ccc(OC)cc1OC ZINC000825435431 608388572 /nfs/dbraw/zinc/38/85/72/608388572.db2.gz XWYGMPUELRXODS-UHFFFAOYSA-N -1 3 371.416 3.045 20 0 FGADHM C[C@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(=O)c1c[nH]c2ncccc12 ZINC000824753094 608397840 /nfs/dbraw/zinc/39/78/40/608397840.db2.gz CBQBGTGZMWHPEJ-VIFPVBQESA-N -1 3 368.397 3.246 20 0 FGADHM C[C@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(=O)c1c[nH]c2ncccc12 ZINC000824753094 608397841 /nfs/dbraw/zinc/39/78/41/608397841.db2.gz CBQBGTGZMWHPEJ-VIFPVBQESA-N -1 3 368.397 3.246 20 0 FGADHM Fc1c(CSCCCOCC(F)(F)F)cccc1-c1nnn[n-]1 ZINC000826371146 608404716 /nfs/dbraw/zinc/40/47/16/608404716.db2.gz VFNBSIDNOKCGEO-UHFFFAOYSA-N -1 3 350.341 3.208 20 0 FGADHM C[C@H](NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F)c1ccccc1Cl ZINC000820367443 608417996 /nfs/dbraw/zinc/41/79/96/608417996.db2.gz SQQBUOVJJOETMP-JTQLQIEISA-N -1 3 374.807 3.220 20 0 FGADHM C[C@H](NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F)c1ccccc1Cl ZINC000820367443 608417997 /nfs/dbraw/zinc/41/79/97/608417997.db2.gz SQQBUOVJJOETMP-JTQLQIEISA-N -1 3 374.807 3.220 20 0 FGADHM Cc1cc(N2CCCC[C@H]2C)ccc1Nc1ccc(-c2nnn[n-]2)nn1 ZINC000826269193 608432088 /nfs/dbraw/zinc/43/20/88/608432088.db2.gz DAQWUTARFAWDLT-CYBMUJFWSA-N -1 3 350.430 3.088 20 0 FGADHM CC(C)OCc1ccc(C(=O)OCc2cccc(-c3nnn[n-]3)c2F)cc1 ZINC000824315135 608439388 /nfs/dbraw/zinc/43/93/88/608439388.db2.gz LIAMPJHDQFUVCU-UHFFFAOYSA-N -1 3 370.384 3.288 20 0 FGADHM CC(C)OCc1ccc(C(=O)OCc2cccc(-c3nn[n-]n3)c2F)cc1 ZINC000824315135 608439390 /nfs/dbraw/zinc/43/93/90/608439390.db2.gz LIAMPJHDQFUVCU-UHFFFAOYSA-N -1 3 370.384 3.288 20 0 FGADHM c1ccc2c(c1)ncnc2N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000823867802 608441313 /nfs/dbraw/zinc/44/13/13/608441313.db2.gz ITFLWYAGLUSVCB-UHFFFAOYSA-N -1 3 355.405 3.104 20 0 FGADHM c1ccc2c(c1)ncnc2N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000823867802 608441314 /nfs/dbraw/zinc/44/13/14/608441314.db2.gz ITFLWYAGLUSVCB-UHFFFAOYSA-N -1 3 355.405 3.104 20 0 FGADHM c1ccc(-c2noc(N3CC=C(c4ccc(-c5nnn[n-]5)cc4)CC3)n2)cc1 ZINC000823868189 608441536 /nfs/dbraw/zinc/44/15/36/608441536.db2.gz QBFRMIUPWPKVSG-UHFFFAOYSA-N -1 3 371.404 3.210 20 0 FGADHM c1ccc(-c2noc(N3CC=C(c4ccc(-c5nn[n-]n5)cc4)CC3)n2)cc1 ZINC000823868189 608441537 /nfs/dbraw/zinc/44/15/37/608441537.db2.gz QBFRMIUPWPKVSG-UHFFFAOYSA-N -1 3 371.404 3.210 20 0 FGADHM CCCCCn1cc(CNc2nc(C)cc(C)c2-c2nnn[n-]2)c(C)n1 ZINC000825281828 608443780 /nfs/dbraw/zinc/44/37/80/608443780.db2.gz JTIVKTFBCISGEW-UHFFFAOYSA-N -1 3 354.462 3.186 20 0 FGADHM CCCCCn1cc(CNc2nc(C)cc(C)c2-c2nn[n-]n2)c(C)n1 ZINC000825281828 608443781 /nfs/dbraw/zinc/44/37/81/608443781.db2.gz JTIVKTFBCISGEW-UHFFFAOYSA-N -1 3 354.462 3.186 20 0 FGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)c1cc(-c2ccccc2)no1 ZINC000826466172 608444098 /nfs/dbraw/zinc/44/40/98/608444098.db2.gz REUQEOBGIHMLOZ-UHFFFAOYSA-N -1 3 365.324 3.018 20 0 FGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)c1cc(-c2ccccc2)no1 ZINC000826466172 608444099 /nfs/dbraw/zinc/44/40/99/608444099.db2.gz REUQEOBGIHMLOZ-UHFFFAOYSA-N -1 3 365.324 3.018 20 0 FGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000826466156 608448749 /nfs/dbraw/zinc/44/87/49/608448749.db2.gz QOIQQURHRVMRRO-QWHCGFSZSA-N -1 3 374.322 3.131 20 0 FGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000826466156 608448751 /nfs/dbraw/zinc/44/87/51/608448751.db2.gz QOIQQURHRVMRRO-QWHCGFSZSA-N -1 3 374.322 3.131 20 0 FGADHM CC(=Cc1ccc(F)cc1)C(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000823943702 608450435 /nfs/dbraw/zinc/45/04/35/608450435.db2.gz REPXYBOTMWKMHZ-PKNBQFBNSA-N -1 3 356.332 3.292 20 0 FGADHM CC(=Cc1ccc(F)cc1)C(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000823943702 608450436 /nfs/dbraw/zinc/45/04/36/608450436.db2.gz REPXYBOTMWKMHZ-PKNBQFBNSA-N -1 3 356.332 3.292 20 0 FGADHM O=C(c1ccccc1Cl)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826474129 608479464 /nfs/dbraw/zinc/47/94/64/608479464.db2.gz BHHHQXLJOCQZEH-UHFFFAOYSA-N -1 3 365.824 3.450 20 0 FGADHM O=C(c1ccccc1Cl)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826474129 608479465 /nfs/dbraw/zinc/47/94/65/608479465.db2.gz BHHHQXLJOCQZEH-UHFFFAOYSA-N -1 3 365.824 3.450 20 0 FGADHM CC(C)(C)SCC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824124497 608480894 /nfs/dbraw/zinc/48/08/94/608480894.db2.gz UNFHYDFFLMOKKY-UHFFFAOYSA-N -1 3 357.483 3.014 20 0 FGADHM CC(C)(C)SCC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824124497 608480896 /nfs/dbraw/zinc/48/08/96/608480896.db2.gz UNFHYDFFLMOKKY-UHFFFAOYSA-N -1 3 357.483 3.014 20 0 FGADHM C[C@H](Cc1ccccc1)C(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824457390 608481384 /nfs/dbraw/zinc/48/13/84/608481384.db2.gz KYOGXNYRAOSMPK-MRXNPFEDSA-N -1 3 373.460 3.361 20 0 FGADHM C[C@H](Cc1ccccc1)C(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824457390 608481386 /nfs/dbraw/zinc/48/13/86/608481386.db2.gz KYOGXNYRAOSMPK-MRXNPFEDSA-N -1 3 373.460 3.361 20 0 FGADHM Cc1ccccc1CC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826306822 608482081 /nfs/dbraw/zinc/48/20/81/608482081.db2.gz MJFJHUBTUINKEZ-UHFFFAOYSA-N -1 3 359.433 3.034 20 0 FGADHM Cc1ccccc1CC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826306822 608482082 /nfs/dbraw/zinc/48/20/82/608482082.db2.gz MJFJHUBTUINKEZ-UHFFFAOYSA-N -1 3 359.433 3.034 20 0 FGADHM O=C(c1cccc(Cl)c1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826473560 608487418 /nfs/dbraw/zinc/48/74/18/608487418.db2.gz CTGLQNXCYJAAPP-UHFFFAOYSA-N -1 3 365.824 3.450 20 0 FGADHM O=C(c1cccc(Cl)c1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826473560 608487420 /nfs/dbraw/zinc/48/74/20/608487420.db2.gz CTGLQNXCYJAAPP-UHFFFAOYSA-N -1 3 365.824 3.450 20 0 FGADHM O=C([C@@H]1CCc2ccccc21)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826399575 608489410 /nfs/dbraw/zinc/48/94/10/608489410.db2.gz ZRHUCAWZQZDSTF-HXUWFJFHSA-N -1 3 371.444 3.212 20 0 FGADHM O=C([C@@H]1CCc2ccccc21)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826399575 608489411 /nfs/dbraw/zinc/48/94/11/608489411.db2.gz ZRHUCAWZQZDSTF-HXUWFJFHSA-N -1 3 371.444 3.212 20 0 FGADHM CC1(C)CC[C@@H](NC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000824801128 608528000 /nfs/dbraw/zinc/52/80/00/608528000.db2.gz BNXBHNBNIVOLNW-SNVBAGLBSA-N -1 3 350.879 3.385 20 0 FGADHM CC1(C)CC[C@@H](NC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000824801128 608528001 /nfs/dbraw/zinc/52/80/01/608528001.db2.gz BNXBHNBNIVOLNW-SNVBAGLBSA-N -1 3 350.879 3.385 20 0 FGADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)Nc1ccc(-c2ccc[nH]2)cc1 ZINC000826408756 608563255 /nfs/dbraw/zinc/56/32/55/608563255.db2.gz TZIVTIOOKLGPDH-UHFFFAOYSA-N -1 3 358.405 3.433 20 0 FGADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)Nc1ccc(-c2ccc[nH]2)cc1 ZINC000826408756 608563257 /nfs/dbraw/zinc/56/32/57/608563257.db2.gz TZIVTIOOKLGPDH-UHFFFAOYSA-N -1 3 358.405 3.433 20 0 FGADHM C[C@H]1CCC[C@H](CNc2ccc(N3CCC(O)CC3)c(-c3nnn[n-]3)c2)C1 ZINC000824929106 608566079 /nfs/dbraw/zinc/56/60/79/608566079.db2.gz VWRWDDSXRTZEAJ-GJZGRUSLSA-N -1 3 370.501 3.066 20 0 FGADHM C[C@H]1CCC[C@H](CNc2ccc(N3CCC(O)CC3)c(-c3nn[n-]n3)c2)C1 ZINC000824929106 608566081 /nfs/dbraw/zinc/56/60/81/608566081.db2.gz VWRWDDSXRTZEAJ-GJZGRUSLSA-N -1 3 370.501 3.066 20 0 FGADHM C[C@@H](CC(=O)Nc1nc2c(cc1-c1nnn[n-]1)CCCC2)c1ccccc1 ZINC000824385047 608569876 /nfs/dbraw/zinc/56/98/76/608569876.db2.gz KLMXNOHCZKYETI-ZDUSSCGKSA-N -1 3 362.437 3.273 20 0 FGADHM C[C@@H](CC(=O)Nc1nc2c(cc1-c1nn[n-]n1)CCCC2)c1ccccc1 ZINC000824385047 608569878 /nfs/dbraw/zinc/56/98/78/608569878.db2.gz KLMXNOHCZKYETI-ZDUSSCGKSA-N -1 3 362.437 3.273 20 0 FGADHM O=C(Nc1nc(-c2ccco2)cs1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826460039 608576175 /nfs/dbraw/zinc/57/61/75/608576175.db2.gz KPPBRAPBIWSRTB-UHFFFAOYSA-N -1 3 372.797 3.489 20 0 FGADHM O=C(Nc1nc(-c2ccco2)cs1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826460039 608576176 /nfs/dbraw/zinc/57/61/76/608576176.db2.gz KPPBRAPBIWSRTB-UHFFFAOYSA-N -1 3 372.797 3.489 20 0 FGADHM CC1(C)CC[C@@H](NC(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)C1 ZINC000824801405 608586216 /nfs/dbraw/zinc/58/62/16/608586216.db2.gz FEQWCFPZTFFCON-QGZVFWFLSA-N -1 3 366.469 3.244 20 0 FGADHM CC1(C)CC[C@@H](NC(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC000824801405 608586218 /nfs/dbraw/zinc/58/62/18/608586218.db2.gz FEQWCFPZTFFCON-QGZVFWFLSA-N -1 3 366.469 3.244 20 0 FGADHM CC(C)[C@@H](O)C1(CNc2ccc(C(F)(F)F)cc2-c2nnn[n-]2)CC1 ZINC000824201054 608586446 /nfs/dbraw/zinc/58/64/46/608586446.db2.gz XERTWYSEZWBYLY-CYBMUJFWSA-N -1 3 355.364 3.095 20 0 FGADHM CC(C)[C@@H](O)C1(CNc2ccc(C(F)(F)F)cc2-c2nn[n-]n2)CC1 ZINC000824201054 608586447 /nfs/dbraw/zinc/58/64/47/608586447.db2.gz XERTWYSEZWBYLY-CYBMUJFWSA-N -1 3 355.364 3.095 20 0 FGADHM COc1ccc([C@H](C)COC(=O)c2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000826187757 608592964 /nfs/dbraw/zinc/59/29/64/608592964.db2.gz DMJCMBUYWBLQMH-CYBMUJFWSA-N -1 3 352.394 3.144 20 0 FGADHM COc1ccc([C@H](C)COC(=O)c2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000826187757 608592969 /nfs/dbraw/zinc/59/29/69/608592969.db2.gz DMJCMBUYWBLQMH-CYBMUJFWSA-N -1 3 352.394 3.144 20 0 FGADHM C[C@@H]1CC[C@H](C)N(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)C1 ZINC000824907784 608600563 /nfs/dbraw/zinc/60/05/63/608600563.db2.gz KORSLQQKVJTVCP-ZJUUUORDSA-N -1 3 366.372 3.120 20 0 FGADHM C[C@@H]1CC[C@H](C)N(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)C1 ZINC000824907784 608600565 /nfs/dbraw/zinc/60/05/65/608600565.db2.gz KORSLQQKVJTVCP-ZJUUUORDSA-N -1 3 366.372 3.120 20 0 FGADHM Fc1c(CN2CCC[C@@H]2c2ccc3c(c2)OCO3)cccc1-c1nnn[n-]1 ZINC000826370794 608649562 /nfs/dbraw/zinc/64/95/62/608649562.db2.gz HNAYMWKLGXZEPK-OAHLLOKOSA-N -1 3 367.384 3.072 20 0 FGADHM COc1cc(CN(C)Cc2ccc(-c3nnn[n-]3)s2)ccc1SC ZINC000826179682 608654176 /nfs/dbraw/zinc/65/41/76/608654176.db2.gz ZFDFMFBGZLZEJN-UHFFFAOYSA-N -1 3 361.496 3.291 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H](C1CCCC1)C(F)(F)F ZINC000826278226 608657177 /nfs/dbraw/zinc/65/71/77/608657177.db2.gz VDHISBQTNDBFDF-CYBMUJFWSA-N -1 3 368.363 3.418 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H](C1CCCC1)C(F)(F)F ZINC000826278226 608657178 /nfs/dbraw/zinc/65/71/78/608657178.db2.gz VDHISBQTNDBFDF-CYBMUJFWSA-N -1 3 368.363 3.418 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)s1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000825323381 608657815 /nfs/dbraw/zinc/65/78/15/608657815.db2.gz VFMNQOZTDBFWCT-ZDUSSCGKSA-N -1 3 370.482 3.167 20 0 FGADHM C[C@H]1CN(Cc2ccc(-c3nnn[n-]3)s2)C[C@H](c2ccc(F)cc2)O1 ZINC000824985213 608718808 /nfs/dbraw/zinc/71/88/08/608718808.db2.gz TUHNTYAEJYOMHO-XHDPSFHLSA-N -1 3 359.430 3.029 20 0 FGADHM C[C@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)C[C@H](c2ccc(F)cc2)O1 ZINC000824985213 608718810 /nfs/dbraw/zinc/71/88/10/608718810.db2.gz TUHNTYAEJYOMHO-XHDPSFHLSA-N -1 3 359.430 3.029 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccc(C)c(C)c1O ZINC000825317849 608756673 /nfs/dbraw/zinc/75/66/73/608756673.db2.gz DQVWAUVPNJUXBC-UHFFFAOYSA-N -1 3 365.437 3.242 20 0 FGADHM c1ccc(COc2ccc(CNc3cnccc3-c3nnn[n-]3)cc2)cc1 ZINC000826522027 608776309 /nfs/dbraw/zinc/77/63/09/608776309.db2.gz ITCOUGGHYAGUHC-UHFFFAOYSA-N -1 3 358.405 3.453 20 0 FGADHM c1ccc(COc2ccc(CNc3cnccc3-c3nn[n-]n3)cc2)cc1 ZINC000826522027 608776312 /nfs/dbraw/zinc/77/63/12/608776312.db2.gz ITCOUGGHYAGUHC-UHFFFAOYSA-N -1 3 358.405 3.453 20 0 FGADHM Cc1cc(C)cc(C2=CCN(C(=O)c3sccc3-c3nnn[n-]3)CC2)c1 ZINC000826264773 608829019 /nfs/dbraw/zinc/82/90/19/608829019.db2.gz ZXQHINFVZQMTMV-UHFFFAOYSA-N -1 3 365.462 3.475 20 0 FGADHM Cc1cc(C)cc(C2=CCN(C(=O)c3sccc3-c3nn[n-]n3)CC2)c1 ZINC000826264773 608829020 /nfs/dbraw/zinc/82/90/20/608829020.db2.gz ZXQHINFVZQMTMV-UHFFFAOYSA-N -1 3 365.462 3.475 20 0 FGADHM O=C(OCc1ccccc1-c1nnn[n-]1)c1ccc([C@@H]2CCCOC2)cc1 ZINC000826467503 609136816 /nfs/dbraw/zinc/13/68/16/609136816.db2.gz ZEBVPHVUXCEINU-MRXNPFEDSA-N -1 3 364.405 3.118 20 0 FGADHM O=C(OCc1ccccc1-c1nn[n-]n1)c1ccc([C@@H]2CCCOC2)cc1 ZINC000826467503 609136817 /nfs/dbraw/zinc/13/68/17/609136817.db2.gz ZEBVPHVUXCEINU-MRXNPFEDSA-N -1 3 364.405 3.118 20 0 FGADHM C[C@@H](N[C@H]1COc2ccc(Cl)cc21)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824553822 609152976 /nfs/dbraw/zinc/15/29/76/609152976.db2.gz IPMPAVSFYRZMDS-PSLIRLAXSA-N -1 3 359.792 3.444 20 0 FGADHM C[C@@H](N[C@H]1COc2ccc(Cl)cc21)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824553822 609152977 /nfs/dbraw/zinc/15/29/77/609152977.db2.gz IPMPAVSFYRZMDS-PSLIRLAXSA-N -1 3 359.792 3.444 20 0 FGADHM FC(F)(F)c1cc(N2CCC[C@H]2C2CCOCC2)ccc1-c1nnn[n-]1 ZINC000826368547 609169947 /nfs/dbraw/zinc/16/99/47/609169947.db2.gz UKLPWIKUJPWTHW-HNNXBMFYSA-N -1 3 367.375 3.281 20 0 FGADHM FC(F)(F)c1cc(N2CCC[C@H]2C2CCOCC2)ccc1-c1nn[n-]n1 ZINC000826368547 609169949 /nfs/dbraw/zinc/16/99/49/609169949.db2.gz UKLPWIKUJPWTHW-HNNXBMFYSA-N -1 3 367.375 3.281 20 0 FGADHM CC(C)C[C@@H]1C[C@@H](Nc2nc3c(cc2-c2nnn[n-]2)CCCC3)CCO1 ZINC000824243546 609171191 /nfs/dbraw/zinc/17/11/91/609171191.db2.gz IUYGJZIXASRDBE-LSDHHAIUSA-N -1 3 356.474 3.146 20 0 FGADHM CC(C)C[C@@H]1C[C@@H](Nc2nc3c(cc2-c2nn[n-]n2)CCCC3)CCO1 ZINC000824243546 609171192 /nfs/dbraw/zinc/17/11/92/609171192.db2.gz IUYGJZIXASRDBE-LSDHHAIUSA-N -1 3 356.474 3.146 20 0 FGADHM O=C(N[C@@H](c1ccc(Cl)cc1)C1CCC1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826427027 609210403 /nfs/dbraw/zinc/21/04/03/609210403.db2.gz CYDICSQVXRDLGX-OAHLLOKOSA-N -1 3 356.817 3.119 20 0 FGADHM O=C(N[C@@H](c1ccc(Cl)cc1)C1CCC1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826427027 609210404 /nfs/dbraw/zinc/21/04/04/609210404.db2.gz CYDICSQVXRDLGX-OAHLLOKOSA-N -1 3 356.817 3.119 20 0 FGADHM Cc1cc(NCc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)no1 ZINC000826271389 609264868 /nfs/dbraw/zinc/26/48/68/609264868.db2.gz PFSNJFVRMJQFGE-UHFFFAOYSA-N -1 3 362.393 3.354 20 0 FGADHM Cc1cc(NCc2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)no1 ZINC000826271389 609264870 /nfs/dbraw/zinc/26/48/70/609264870.db2.gz PFSNJFVRMJQFGE-UHFFFAOYSA-N -1 3 362.393 3.354 20 0 FGADHM CCOC(=O)c1ccc(-c2nnn[n-]2)c(SCc2ccc(CF)cc2)n1 ZINC000825560607 609267051 /nfs/dbraw/zinc/26/70/51/609267051.db2.gz SYXQCNMUPLWYSE-UHFFFAOYSA-N -1 3 373.413 3.200 20 0 FGADHM CCOC(=O)c1ccc(-c2nn[n-]n2)c(SCc2ccc(CF)cc2)n1 ZINC000825560607 609267052 /nfs/dbraw/zinc/26/70/52/609267052.db2.gz SYXQCNMUPLWYSE-UHFFFAOYSA-N -1 3 373.413 3.200 20 0 FGADHM COc1cc(C(=O)Oc2ccc(-c3nnn[n-]3)cc2)cc(OC)c1C(C)C ZINC000826177332 609268874 /nfs/dbraw/zinc/26/88/74/609268874.db2.gz DJHWZBLGKAMODD-UHFFFAOYSA-N -1 3 368.393 3.227 20 0 FGADHM COc1cc(C(=O)Oc2ccc(-c3nn[n-]n3)cc2)cc(OC)c1C(C)C ZINC000826177332 609268876 /nfs/dbraw/zinc/26/88/76/609268876.db2.gz DJHWZBLGKAMODD-UHFFFAOYSA-N -1 3 368.393 3.227 20 0 FGADHM COCCOc1ccccc1N[C@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000826163176 609277194 /nfs/dbraw/zinc/27/71/94/609277194.db2.gz JCEJPVZHNYPUCP-KRWDZBQOSA-N -1 3 365.437 3.381 20 0 FGADHM COCCOc1ccccc1N[C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000826163176 609277196 /nfs/dbraw/zinc/27/71/96/609277196.db2.gz JCEJPVZHNYPUCP-KRWDZBQOSA-N -1 3 365.437 3.381 20 0 FGADHM C[C@H](Nc1ccc2c(c1)N(C)CCO2)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824656464 609279432 /nfs/dbraw/zinc/27/94/32/609279432.db2.gz KGAIYOVQUNTLSS-NSHDSACASA-N -1 3 354.389 3.008 20 0 FGADHM C[C@H](Nc1ccc2c(c1)N(C)CCO2)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824656464 609279434 /nfs/dbraw/zinc/27/94/34/609279434.db2.gz KGAIYOVQUNTLSS-NSHDSACASA-N -1 3 354.389 3.008 20 0 FGADHM Cc1nnc(-c2cccc(N[C@@H](C)c3cccc(-c4nnn[n-]4)c3)c2)n1C ZINC000826335370 609280460 /nfs/dbraw/zinc/28/04/60/609280460.db2.gz KEKXJDQBWWVGFF-LBPRGKRZSA-N -1 3 360.425 3.144 20 0 FGADHM Cc1nnc(-c2cccc(N[C@@H](C)c3cccc(-c4nn[n-]n4)c3)c2)n1C ZINC000826335370 609280462 /nfs/dbraw/zinc/28/04/62/609280462.db2.gz KEKXJDQBWWVGFF-LBPRGKRZSA-N -1 3 360.425 3.144 20 0 FGADHM Cc1nnc(-c2cccc(N[C@H](C)c3cccc(-c4nnn[n-]4)c3)c2)n1C ZINC000826335369 609280483 /nfs/dbraw/zinc/28/04/83/609280483.db2.gz KEKXJDQBWWVGFF-GFCCVEGCSA-N -1 3 360.425 3.144 20 0 FGADHM Cc1nnc(-c2cccc(N[C@H](C)c3cccc(-c4nn[n-]n4)c3)c2)n1C ZINC000826335369 609280485 /nfs/dbraw/zinc/28/04/85/609280485.db2.gz KEKXJDQBWWVGFF-GFCCVEGCSA-N -1 3 360.425 3.144 20 0 FGADHM Cc1nc2cc(NC(=O)C=Cc3ccccc3-c3nnn[n-]3)ccc2s1 ZINC000826328571 609287582 /nfs/dbraw/zinc/28/75/82/609287582.db2.gz WFADXOHBGIKPPB-TWGQIWQCSA-N -1 3 362.418 3.437 20 0 FGADHM Cc1nc2cc(NC(=O)C=Cc3ccccc3-c3nn[n-]n3)ccc2s1 ZINC000826328571 609287583 /nfs/dbraw/zinc/28/75/83/609287583.db2.gz WFADXOHBGIKPPB-TWGQIWQCSA-N -1 3 362.418 3.437 20 0 FGADHM CCC(CC)(CC)C(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000825090427 609288626 /nfs/dbraw/zinc/28/86/26/609288626.db2.gz ZECIGIDPMKEWMY-UHFFFAOYSA-N -1 3 371.420 3.346 20 0 FGADHM Cc1nnc(SCc2cccc(OC(C)(C)C)n2)c(-c2nnn[n-]2)c1C ZINC000826337718 609307744 /nfs/dbraw/zinc/30/77/44/609307744.db2.gz YUVXBDXOIWGNHG-UHFFFAOYSA-N -1 3 371.470 3.138 20 0 FGADHM Cc1nnc(SCc2cccc(OC(C)(C)C)n2)c(-c2nn[n-]n2)c1C ZINC000826337718 609307746 /nfs/dbraw/zinc/30/77/46/609307746.db2.gz YUVXBDXOIWGNHG-UHFFFAOYSA-N -1 3 371.470 3.138 20 0 FGADHM CCc1cc(N[C@@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)ccc1C ZINC000825700339 609312440 /nfs/dbraw/zinc/31/24/40/609312440.db2.gz BOXHJQYTHYFVQA-OAHLLOKOSA-N -1 3 368.466 3.016 20 0 FGADHM CCc1cc(N[C@@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)ccc1C ZINC000825700339 609312442 /nfs/dbraw/zinc/31/24/42/609312442.db2.gz BOXHJQYTHYFVQA-OAHLLOKOSA-N -1 3 368.466 3.016 20 0 FGADHM CCC(CC)[C@@H]1C[C@@H](Nc2c(-c3nnn[n-]3)cnc3ccccc32)CCO1 ZINC000825107075 609322406 /nfs/dbraw/zinc/32/24/06/609322406.db2.gz KTHBOFUVLMTZKN-KSSFIOAISA-N -1 3 366.469 3.233 20 0 FGADHM CCC(CC)[C@@H]1C[C@@H](Nc2c(-c3nn[n-]n3)cnc3ccccc32)CCO1 ZINC000825107075 609322408 /nfs/dbraw/zinc/32/24/08/609322408.db2.gz KTHBOFUVLMTZKN-KSSFIOAISA-N -1 3 366.469 3.233 20 0 FGADHM C[C@@H]1CCC[C@@H](Nc2ccc(N3CCC(O)CC3)c(-c3nnn[n-]3)c2)[C@H]1C ZINC000824927079 609347785 /nfs/dbraw/zinc/34/77/85/609347785.db2.gz LZJUWBRWMIPDQL-QWQRMKEZSA-N -1 3 370.501 3.064 20 0 FGADHM C[C@@H]1CCC[C@@H](Nc2ccc(N3CCC(O)CC3)c(-c3nn[n-]n3)c2)[C@H]1C ZINC000824927079 609347787 /nfs/dbraw/zinc/34/77/87/609347787.db2.gz LZJUWBRWMIPDQL-QWQRMKEZSA-N -1 3 370.501 3.064 20 0 FGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1Br)CC(F)F ZINC000824293665 609363744 /nfs/dbraw/zinc/36/37/44/609363744.db2.gz VXSXBPUFJUZNDR-UHFFFAOYSA-N -1 3 360.206 3.105 20 0 FGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1Br)CC(F)F ZINC000824293665 609363746 /nfs/dbraw/zinc/36/37/46/609363746.db2.gz VXSXBPUFJUZNDR-UHFFFAOYSA-N -1 3 360.206 3.105 20 0 FGADHM Cc1nc2cc(NC(=O)NCc3cccc(-c4nnn[n-]4)c3)ccc2s1 ZINC000826328301 609366794 /nfs/dbraw/zinc/36/67/94/609366794.db2.gz MQXPLVXWPGJJCG-UHFFFAOYSA-N -1 3 365.422 3.107 20 0 FGADHM Cc1nc2cc(NC(=O)NCc3cccc(-c4nn[n-]n4)c3)ccc2s1 ZINC000826328301 609366797 /nfs/dbraw/zinc/36/67/97/609366797.db2.gz MQXPLVXWPGJJCG-UHFFFAOYSA-N -1 3 365.422 3.107 20 0 FGADHM Cn1nc(C2CCCC2)cc1NC(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000826366144 609369831 /nfs/dbraw/zinc/36/98/31/609369831.db2.gz VEWHATIDMJBVJM-UHFFFAOYSA-N -1 3 368.470 3.067 20 0 FGADHM Cn1nc(C2CCCC2)cc1NC(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000826366144 609369834 /nfs/dbraw/zinc/36/98/34/609369834.db2.gz VEWHATIDMJBVJM-UHFFFAOYSA-N -1 3 368.470 3.067 20 0 FGADHM CC(C)[C@@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1ccc(Cl)cc1F ZINC000824191393 609375149 /nfs/dbraw/zinc/37/51/49/609375149.db2.gz CZENEDZWMUWOHV-CQSZACIVSA-N -1 3 362.796 3.114 20 0 FGADHM CC(C)[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccc(Cl)cc1F ZINC000824191393 609375151 /nfs/dbraw/zinc/37/51/51/609375151.db2.gz CZENEDZWMUWOHV-CQSZACIVSA-N -1 3 362.796 3.114 20 0 FGADHM CC[C@@H]1C[C@H](CC(=O)N(CC)[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000825180759 609375955 /nfs/dbraw/zinc/37/59/55/609375955.db2.gz ANKUYKDGKUDIFU-HDMKZQKVSA-N -1 3 371.485 3.372 20 0 FGADHM CC[C@@H]1C[C@H](CC(=O)N(CC)[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000825180759 609375957 /nfs/dbraw/zinc/37/59/57/609375957.db2.gz ANKUYKDGKUDIFU-HDMKZQKVSA-N -1 3 371.485 3.372 20 0 FGADHM CCc1cc(Oc2ccc(Br)cc2-c2nnn[n-]2)nc(C)n1 ZINC000825700470 609436760 /nfs/dbraw/zinc/43/67/60/609436760.db2.gz GWWISMVQBBBVMY-UHFFFAOYSA-N -1 3 361.203 3.082 20 0 FGADHM CCc1cc(Oc2ccc(Br)cc2-c2nn[n-]n2)nc(C)n1 ZINC000825700470 609436762 /nfs/dbraw/zinc/43/67/62/609436762.db2.gz GWWISMVQBBBVMY-UHFFFAOYSA-N -1 3 361.203 3.082 20 0 FGADHM Cc1sc(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)nc1-c1ccc(F)cc1 ZINC000826349237 609445072 /nfs/dbraw/zinc/44/50/72/609445072.db2.gz AKKICPIIENUSMK-UHFFFAOYSA-N -1 3 369.385 3.018 20 0 FGADHM Cc1sc(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)nc1-c1ccc(F)cc1 ZINC000826349237 609445074 /nfs/dbraw/zinc/44/50/74/609445074.db2.gz AKKICPIIENUSMK-UHFFFAOYSA-N -1 3 369.385 3.018 20 0 FGADHM CN(Cc1ccccc1)c1ccccc1NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000825981207 609445647 /nfs/dbraw/zinc/44/56/47/609445647.db2.gz QIUNVVMCFGEOTP-UHFFFAOYSA-N -1 3 373.420 3.084 20 0 FGADHM CN(Cc1ccccc1)c1ccccc1NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000825981207 609445649 /nfs/dbraw/zinc/44/56/49/609445649.db2.gz QIUNVVMCFGEOTP-UHFFFAOYSA-N -1 3 373.420 3.084 20 0 FGADHM FC(F)(F)CCNc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000826367476 609446847 /nfs/dbraw/zinc/44/68/47/609446847.db2.gz ALRGHTGEUQIHBB-UHFFFAOYSA-N -1 3 357.727 3.070 20 0 FGADHM Cc1cc(Cl)ccc1O[C@@H](C)C(=O)OCc1cccc(-c2nnn[n-]2)c1 ZINC000826267456 609448298 /nfs/dbraw/zinc/44/82/98/609448298.db2.gz GTGVGQLDZXGLER-LBPRGKRZSA-N -1 3 372.812 3.339 20 0 FGADHM Cc1cc(Cl)ccc1O[C@@H](C)C(=O)OCc1cccc(-c2nn[n-]n2)c1 ZINC000826267456 609448300 /nfs/dbraw/zinc/44/83/00/609448300.db2.gz GTGVGQLDZXGLER-LBPRGKRZSA-N -1 3 372.812 3.339 20 0 FGADHM COC(=O)/C(C)=C\CSc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826099132 609450662 /nfs/dbraw/zinc/45/06/62/609450662.db2.gz ZDHCLNPUWVLEBY-YVMONPNESA-N -1 3 358.345 3.097 20 0 FGADHM COC(=O)/C(C)=C\CSc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826099132 609450663 /nfs/dbraw/zinc/45/06/63/609450663.db2.gz ZDHCLNPUWVLEBY-YVMONPNESA-N -1 3 358.345 3.097 20 0 FGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NCc1cnn(C(C)(C)C)c1 ZINC000824324300 609476018 /nfs/dbraw/zinc/47/60/18/609476018.db2.gz KHWJVNNRACWDGK-UHFFFAOYSA-N -1 3 355.446 3.218 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NCc1ccc(OC)c(OCC)c1 ZINC000825631908 609476409 /nfs/dbraw/zinc/47/64/09/609476409.db2.gz INUBOASLLZYVPR-UHFFFAOYSA-N -1 3 369.425 3.285 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NCc1ccc(OC)c(OCC)c1 ZINC000825631908 609476410 /nfs/dbraw/zinc/47/64/10/609476410.db2.gz INUBOASLLZYVPR-UHFFFAOYSA-N -1 3 369.425 3.285 20 0 FGADHM CCCOc1cc(CNc2cc(-c3nnn[n-]3)ccc2OC)ccc1OC ZINC000825338929 609480365 /nfs/dbraw/zinc/48/03/65/609480365.db2.gz KLKIRUFKMBJROT-UHFFFAOYSA-N -1 3 369.425 3.285 20 0 FGADHM CCCOc1cc(CNc2cc(-c3nn[n-]n3)ccc2OC)ccc1OC ZINC000825338929 609480367 /nfs/dbraw/zinc/48/03/67/609480367.db2.gz KLKIRUFKMBJROT-UHFFFAOYSA-N -1 3 369.425 3.285 20 0 FGADHM C[C@@H]1CCC[C@@H]1C(=O)N(Cc1ccco1)c1ccccc1-c1nnn[n-]1 ZINC000824927035 609482854 /nfs/dbraw/zinc/48/28/54/609482854.db2.gz LRTDLTBUHIAORF-HIFRSBDPSA-N -1 3 351.410 3.429 20 0 FGADHM C[C@@H]1CCC[C@@H]1C(=O)N(Cc1ccco1)c1ccccc1-c1nn[n-]n1 ZINC000824927035 609482855 /nfs/dbraw/zinc/48/28/55/609482855.db2.gz LRTDLTBUHIAORF-HIFRSBDPSA-N -1 3 351.410 3.429 20 0 FGADHM Cc1c(NCc2ccc(OC[C@H]3CCCO3)cc2)cccc1-c1nnn[n-]1 ZINC000826242209 609486041 /nfs/dbraw/zinc/48/60/41/609486041.db2.gz FNYRMUGDFJYNCC-QGZVFWFLSA-N -1 3 365.437 3.345 20 0 FGADHM Cc1c(NCc2ccc(OC[C@H]3CCCO3)cc2)cccc1-c1nn[n-]n1 ZINC000826242209 609486043 /nfs/dbraw/zinc/48/60/43/609486043.db2.gz FNYRMUGDFJYNCC-QGZVFWFLSA-N -1 3 365.437 3.345 20 0 FGADHM CCOC(=O)Nc1ccc(NCc2ccc(F)cc2F)cc1-c1nnn[n-]1 ZINC000825553911 609489099 /nfs/dbraw/zinc/48/90/99/609489099.db2.gz ZHAUQVWZDQZLOM-UHFFFAOYSA-N -1 3 374.351 3.325 20 0 FGADHM CCOC(=O)Nc1ccc(NCc2ccc(F)cc2F)cc1-c1nn[n-]n1 ZINC000825553911 609489101 /nfs/dbraw/zinc/48/91/01/609489101.db2.gz ZHAUQVWZDQZLOM-UHFFFAOYSA-N -1 3 374.351 3.325 20 0 FGADHM C[C@H]1CCC[C@H]1C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000824928187 609489247 /nfs/dbraw/zinc/48/92/47/609489247.db2.gz SDMZMRAMJFLRNA-BLLLJJGKSA-N -1 3 364.409 3.429 20 0 FGADHM C[C@H](C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)c1ccccc1 ZINC000826232125 609500430 /nfs/dbraw/zinc/50/04/30/609500430.db2.gz PTMABKZXOFESPO-JTQLQIEISA-N -1 3 359.336 3.210 20 0 FGADHM C[C@H](C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)c1ccccc1 ZINC000826232125 609500433 /nfs/dbraw/zinc/50/04/33/609500433.db2.gz PTMABKZXOFESPO-JTQLQIEISA-N -1 3 359.336 3.210 20 0 FGADHM Cc1c(Cl)cnc(N2C[C@@H](c3ccccc3)OC[C@@H]2C)c1-c1nnn[n-]1 ZINC000826237380 609569395 /nfs/dbraw/zinc/56/93/95/609569395.db2.gz XRLVDSOZFHNTPA-NHYWBVRUSA-N -1 3 370.844 3.190 20 0 FGADHM Cc1c(Cl)cnc(N2C[C@@H](c3ccccc3)OC[C@@H]2C)c1-c1nn[n-]n1 ZINC000826237380 609569398 /nfs/dbraw/zinc/56/93/98/609569398.db2.gz XRLVDSOZFHNTPA-NHYWBVRUSA-N -1 3 370.844 3.190 20 0 FGADHM Cc1c(Cl)cnc(NC[C@H]2CCCO[C@@H]2C(C)C)c1-c1nnn[n-]1 ZINC000826239855 609570501 /nfs/dbraw/zinc/57/05/01/609570501.db2.gz SBBIZYIWSPGGON-BXUZGUMPSA-N -1 3 350.854 3.087 20 0 FGADHM Cc1c(Cl)cnc(NC[C@H]2CCCO[C@@H]2C(C)C)c1-c1nn[n-]n1 ZINC000826239855 609570503 /nfs/dbraw/zinc/57/05/03/609570503.db2.gz SBBIZYIWSPGGON-BXUZGUMPSA-N -1 3 350.854 3.087 20 0 FGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)N1CCC[C@@H]1/C=C/c1ccccc1 ZINC000826441283 609594436 /nfs/dbraw/zinc/59/44/36/609594436.db2.gz XDEZKSGAWGELNF-YFPIXMDGSA-N -1 3 374.448 3.254 20 0 FGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)N1CCC[C@@H]1/C=C/c1ccccc1 ZINC000826441283 609594438 /nfs/dbraw/zinc/59/44/38/609594438.db2.gz XDEZKSGAWGELNF-YFPIXMDGSA-N -1 3 374.448 3.254 20 0 FGADHM CSCCCCCCNC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826228105 609602580 /nfs/dbraw/zinc/60/25/80/609602580.db2.gz FAJHWRRYMMYQFE-CYBMUJFWSA-N -1 3 362.503 3.150 20 0 FGADHM CSCCCCCCNC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826228105 609602582 /nfs/dbraw/zinc/60/25/82/609602582.db2.gz FAJHWRRYMMYQFE-CYBMUJFWSA-N -1 3 362.503 3.150 20 0 FGADHM CCCc1c(Nc2ncccc2-c2nnn[n-]2)cnn1-c1cccc(F)c1 ZINC000825348039 609605321 /nfs/dbraw/zinc/60/53/21/609605321.db2.gz AYKYYQOQWOMBRG-UHFFFAOYSA-N -1 3 364.388 3.283 20 0 FGADHM CCCc1c(Nc2ncccc2-c2nn[n-]n2)cnn1-c1cccc(F)c1 ZINC000825348039 609605324 /nfs/dbraw/zinc/60/53/24/609605324.db2.gz AYKYYQOQWOMBRG-UHFFFAOYSA-N -1 3 364.388 3.283 20 0 FGADHM O=C(OCc1ccc(Cl)cc1-c1nnn[n-]1)c1cccc2ncccc21 ZINC000826465387 609613979 /nfs/dbraw/zinc/61/39/79/609613979.db2.gz LGFPKWQSQUIJFG-UHFFFAOYSA-N -1 3 365.780 3.425 20 0 FGADHM O=C(OCc1ccc(Cl)cc1-c1nn[n-]n1)c1cccc2ncccc21 ZINC000826465387 609613980 /nfs/dbraw/zinc/61/39/80/609613980.db2.gz LGFPKWQSQUIJFG-UHFFFAOYSA-N -1 3 365.780 3.425 20 0 FGADHM CC(=O)c1csc(C(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000824029447 609614333 /nfs/dbraw/zinc/61/43/33/609614333.db2.gz KUNNPQNIEGHYMM-UHFFFAOYSA-N -1 3 362.798 3.141 20 0 FGADHM CC(=O)c1csc(C(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000824029447 609614335 /nfs/dbraw/zinc/61/43/35/609614335.db2.gz KUNNPQNIEGHYMM-UHFFFAOYSA-N -1 3 362.798 3.141 20 0 FGADHM O=C(OCc1ccc(Cl)cc1-c1nnn[n-]1)c1cc(F)c(F)cc1F ZINC000826465372 609615408 /nfs/dbraw/zinc/61/54/08/609615408.db2.gz JZRKWGAQTYHNKE-UHFFFAOYSA-N -1 3 368.702 3.294 20 0 FGADHM O=C(OCc1ccc(Cl)cc1-c1nn[n-]n1)c1cc(F)c(F)cc1F ZINC000826465372 609615409 /nfs/dbraw/zinc/61/54/09/609615409.db2.gz JZRKWGAQTYHNKE-UHFFFAOYSA-N -1 3 368.702 3.294 20 0 FGADHM CCCCn1ncc(C(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)c1C ZINC000825301015 609616963 /nfs/dbraw/zinc/61/69/63/609616963.db2.gz HGEBKYBXHUVRIF-UHFFFAOYSA-N -1 3 374.832 3.182 20 0 FGADHM CCCCn1ncc(C(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)c1C ZINC000825301015 609616965 /nfs/dbraw/zinc/61/69/65/609616965.db2.gz HGEBKYBXHUVRIF-UHFFFAOYSA-N -1 3 374.832 3.182 20 0 FGADHM CC(=O)Nc1ccc(NC(=O)COC(=O)c2cc(Cl)c(Cl)[n-]2)cc1 ZINC000011808971 695602333 /nfs/dbraw/zinc/60/23/33/695602333.db2.gz YOBSJAIENWWKIX-UHFFFAOYSA-N -1 3 370.192 3.075 20 0 FGADHM O=C(COC(=O)c1cc(Cl)c(Cl)[n-]1)NCc1cccc(Cl)c1 ZINC000011809147 695602347 /nfs/dbraw/zinc/60/23/47/695602347.db2.gz ZOGLTPAAXMSZPP-UHFFFAOYSA-N -1 3 361.612 3.448 20 0 FGADHM C[C@H](OC(=O)c1cc(Cl)c(Cl)[n-]1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000011809556 695602743 /nfs/dbraw/zinc/60/27/43/695602743.db2.gz YIFZIJBFDJUOGH-ZETCQYMHSA-N -1 3 371.176 3.234 20 0 FGADHM C[C@H](OC(=O)c1cc(Cl)c(Cl)[n-]1)C(=O)N1CCc2ccccc21 ZINC000011809698 695602778 /nfs/dbraw/zinc/60/27/78/695602778.db2.gz VVMFUEFLZCNLOP-VIFPVBQESA-N -1 3 353.205 3.456 20 0 FGADHM COc1ccc(C)cc1CC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000015357566 695618171 /nfs/dbraw/zinc/61/81/71/695618171.db2.gz NZWVPXAYJAMIBQ-UHFFFAOYSA-N -1 3 357.834 3.317 20 0 FGADHM O=C([N-]NC(=S)Nc1cccc(C(F)(F)F)c1)c1ccccc1F ZINC000015918748 695622862 /nfs/dbraw/zinc/62/28/62/695622862.db2.gz MGLQFFUFSLYSHF-UHFFFAOYSA-N -1 3 357.332 3.476 20 0 FGADHM C[C@H](OC(=O)c1ccc([O-])cc1)C(=O)Nc1ccccc1Br ZINC000022474761 695653892 /nfs/dbraw/zinc/65/38/92/695653892.db2.gz BHIMSNSQNVGDEC-JTQLQIEISA-N -1 3 364.195 3.339 20 0 FGADHM COc1ccccc1[C@@H](C)NC(=O)COC(=O)c1cc2ccsc2[n-]1 ZINC000023346551 695661266 /nfs/dbraw/zinc/66/12/66/695661266.db2.gz OOBNFDGZOOUHEA-LLVKDONJSA-N -1 3 358.419 3.272 20 0 FGADHM CC[C@@H](C)NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1C ZINC000027338481 695692836 /nfs/dbraw/zinc/69/28/36/695692836.db2.gz DXQFJOROBQISHC-CYBMUJFWSA-N -1 3 364.442 3.463 20 0 FGADHM CC[C@@H]1CCCCN1C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000029736310 695715837 /nfs/dbraw/zinc/71/58/37/695715837.db2.gz CPHJJCGEXYFQKN-CQSZACIVSA-N -1 3 370.490 3.307 20 0 FGADHM CC(C)CC[C@@H](C)NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000029787898 695716404 /nfs/dbraw/zinc/71/64/04/695716404.db2.gz LFYSGUMDQYGSAE-CYBMUJFWSA-N -1 3 372.506 3.457 20 0 FGADHM [O-]c1ccc(Br)cc1/C=N/C[C@H](O)COc1ccccc1 ZINC000032069615 695741484 /nfs/dbraw/zinc/74/14/84/695741484.db2.gz JJIFQXQBPSETFD-RMNBPEERSA-N -1 3 350.212 3.014 20 0 FGADHM CCC[C@H](C)N(C)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000041988210 695770919 /nfs/dbraw/zinc/77/09/19/695770919.db2.gz VMQLSPOFNUSVAS-LBPRGKRZSA-N -1 3 358.479 3.163 20 0 FGADHM CCN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1)C1CCCCC1 ZINC000046188827 695834953 /nfs/dbraw/zinc/83/49/53/695834953.db2.gz RMYUMTXYGHMFOY-UHFFFAOYSA-N -1 3 370.490 3.307 20 0 FGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@@H]2CCCC[C@@H]2C)ccc1F ZINC000046199722 695835100 /nfs/dbraw/zinc/83/51/00/695835100.db2.gz QMKHIFADOTWQGR-XJKSGUPXSA-N -1 3 370.490 3.163 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(F)c2)cc1 ZINC000048231015 695875274 /nfs/dbraw/zinc/87/52/74/695875274.db2.gz QKHWKKFOGIAHDF-UHFFFAOYSA-N -1 3 350.415 3.235 20 0 FGADHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1ccc(F)cc1Br ZINC000073973979 695975785 /nfs/dbraw/zinc/97/57/85/695975785.db2.gz HZRCXWINMBYKKN-UHFFFAOYSA-N -1 3 351.135 3.219 20 0 FGADHM COC1CCN(CCNC(=O)c2cc(Cl)c3ccccc3c2[O-])CC1 ZINC000080040344 700308941 /nfs/dbraw/zinc/30/89/41/700308941.db2.gz UCTNMJBCHJQWGW-UHFFFAOYSA-N -1 3 362.857 3.039 20 0 FGADHM COC[C@@H]([N-]S(=O)(=O)c1cc(C)cc2cccnc21)c1ccc(C)o1 ZINC000080789115 700323265 /nfs/dbraw/zinc/32/32/65/700323265.db2.gz HRUIOGPHNLIYAG-OAHLLOKOSA-N -1 3 360.435 3.111 20 0 FGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1cccc(N2CCCCC2)c1 ZINC000081585815 700337847 /nfs/dbraw/zinc/33/78/47/700337847.db2.gz ILWRWAMAZOWOBN-UHFFFAOYSA-N -1 3 358.467 3.043 20 0 FGADHM CC[C@@H]([N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)c1nccs1 ZINC000081674329 700338870 /nfs/dbraw/zinc/33/88/70/700338870.db2.gz MJWLVDQTYOPOMM-SECBINFHSA-N -1 3 352.268 3.275 20 0 FGADHM CCOc1ccc(CN(CC(=O)OC)Cc2cc(Cl)ccc2[O-])nc1 ZINC000088511126 700379471 /nfs/dbraw/zinc/37/94/71/700379471.db2.gz ZTWQQRMSAUBPIR-UHFFFAOYSA-N -1 3 364.829 3.015 20 0 FGADHM Cc1nc(C)c(CC(=O)O[C@@H](c2ccc(F)c(F)c2)C(C)C)c(=O)[n-]1 ZINC000091928858 700428946 /nfs/dbraw/zinc/42/89/46/700428946.db2.gz UZVFGKMKNWPQLG-QGZVFWFLSA-N -1 3 350.365 3.148 20 0 FGADHM C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CN(Cc2cc(Cl)ccc2[O-])CCO1 ZINC000092018230 700430485 /nfs/dbraw/zinc/43/04/85/700430485.db2.gz OSYFQACYZXNOCK-LRDDRELGSA-N -1 3 370.877 3.160 20 0 FGADHM CCCCc1nc(CO[N-]C(=O)Cc2ccc(OC)c(OC)c2)cs1 ZINC000112336384 700558717 /nfs/dbraw/zinc/55/87/17/700558717.db2.gz UBZHQXPNXSPERB-UHFFFAOYSA-N -1 3 364.467 3.293 20 0 FGADHM C[C@H]([N-]C(=O)C(F)(F)C1(O)CCC1)c1ccc(OCC(F)(F)F)cc1 ZINC000119641510 700634720 /nfs/dbraw/zinc/63/47/20/700634720.db2.gz ZLGJSNYKAUCVDA-JTQLQIEISA-N -1 3 367.314 3.355 20 0 FGADHM CCOC(=O)c1ccc([N-]S(=O)(=O)/C=C/c2ccccc2Cl)cn1 ZINC000119823623 700640072 /nfs/dbraw/zinc/64/00/72/700640072.db2.gz GTJQIPNGESAADM-MDZDMXLPSA-N -1 3 366.826 3.324 20 0 FGADHM C[C@@H](C[C@@H](O)c1ccc(F)cc1)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000123865712 700711258 /nfs/dbraw/zinc/71/12/58/700711258.db2.gz VUKVXVIHGLRTJW-JOYOIKCWSA-N -1 3 363.863 3.331 20 0 FGADHM CC(C)(C)OC(=O)NCCCC(=O)Nc1ccc(Br)cc1[O-] ZINC000127917558 700768213 /nfs/dbraw/zinc/76/82/13/700768213.db2.gz RRNMJIYOJKWMFG-UHFFFAOYSA-N -1 3 373.247 3.398 20 0 FGADHM C[C@@H]1CCN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)C[C@@H]1C ZINC000132048422 700823103 /nfs/dbraw/zinc/82/31/03/700823103.db2.gz ANMAGQIYYRBMGP-OLZOCXBDSA-N -1 3 370.490 3.021 20 0 FGADHM Cc1nn2cccnc2c1C(=O)[N-]c1nnc(-c2ccc(Cl)cc2)s1 ZINC000134262979 704818565 /nfs/dbraw/zinc/81/85/65/704818565.db2.gz SXYYHPVRKRTFCH-UHFFFAOYSA-N -1 3 370.825 3.462 20 0 FGADHM Cc1cccc([C@@H](O)C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000134490484 704823366 /nfs/dbraw/zinc/82/33/66/704823366.db2.gz APUYEIPYFFMBFY-AWEZNQCLSA-N -1 3 360.262 3.314 20 0 FGADHM Cc1cccc([C@H](O)C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000134490469 704823473 /nfs/dbraw/zinc/82/34/73/704823473.db2.gz APUYEIPYFFMBFY-CQSZACIVSA-N -1 3 360.262 3.314 20 0 FGADHM O=C(NCc1ccc([O-])c(Br)c1)NC[C@@H]1Cc2ccccc21 ZINC000137222379 704868947 /nfs/dbraw/zinc/86/89/47/704868947.db2.gz BNNGMNMYWKMSHO-ZDUSSCGKSA-N -1 3 361.239 3.294 20 0 FGADHM O=C(Nc1ccc(Cl)cc1[O-])[C@H]1CCCN1C(=O)OCC(F)(F)F ZINC000153705034 705008833 /nfs/dbraw/zinc/00/88/33/705008833.db2.gz CCLXNVCMRGJYGN-SNVBAGLBSA-N -1 3 366.723 3.147 20 0 FGADHM CCCCOC(=O)CN1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000157669296 705160220 /nfs/dbraw/zinc/16/02/20/705160220.db2.gz YAMNVRUFUYWFDE-UHFFFAOYSA-N -1 3 368.861 3.039 20 0 FGADHM CCc1nn(C)c(Cl)c1C(=O)Nc1ccc(Br)cc1[O-] ZINC000160311308 705250138 /nfs/dbraw/zinc/25/01/38/705250138.db2.gz NCJRRAJRLKMYFI-UHFFFAOYSA-N -1 3 358.623 3.356 20 0 FGADHM COc1ccc(CN2CC[C@H](/N=C/c3cc(Cl)ccc3[O-])C2=O)cc1 ZINC000172127598 705407965 /nfs/dbraw/zinc/40/79/65/705407965.db2.gz BRSXWRKPGQOKPO-RYFGYPJOSA-N -1 3 358.825 3.274 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCO3)cnc1Cl ZINC000172203987 705410342 /nfs/dbraw/zinc/41/03/42/705410342.db2.gz XSKKAYSOOJNKTA-UHFFFAOYSA-N -1 3 361.206 3.226 20 0 FGADHM CCC(CC)c1cc(C[N-]S(=O)(=O)c2cnc(Cl)c(C)c2)on1 ZINC000173494598 705461774 /nfs/dbraw/zinc/46/17/74/705461774.db2.gz CGDNTUADRPQKFM-UHFFFAOYSA-N -1 3 357.863 3.414 20 0 FGADHM Cc1ccc(CC(=O)[N-]OCc2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000177580523 705629478 /nfs/dbraw/zinc/62/94/78/705629478.db2.gz AHYDDJGZWQHVFA-UHFFFAOYSA-N -1 3 357.797 3.489 20 0 FGADHM Cc1ccc(CC(=O)[N-]OCC(=O)N[C@@H](C)c2ccccc2Cl)cc1 ZINC000177581258 705629497 /nfs/dbraw/zinc/62/94/97/705629497.db2.gz FUAFVRWRIIDXAY-AWEZNQCLSA-N -1 3 360.841 3.116 20 0 FGADHM O=C([N-]c1cc([N+](=O)[O-])c(F)cc1F)c1cc(OCC(F)F)ccn1 ZINC000182319905 705834909 /nfs/dbraw/zinc/83/49/09/705834909.db2.gz MSTWDWDFIBTYBQ-UHFFFAOYSA-N -1 3 359.235 3.164 20 0 FGADHM COc1ccc(N[C@H]2C[C@@H](OCC(C)C)C2(C)C)cc1[N-]S(C)(=O)=O ZINC000182735431 705859358 /nfs/dbraw/zinc/85/93/58/705859358.db2.gz DKIRGVUJAGTONR-DLBZAZTESA-N -1 3 370.515 3.318 20 0 FGADHM CN(C)Cc1ccnc([N-]S(=O)(=O)/C=C/c2cccc(Cl)c2)c1 ZINC000184200578 705923183 /nfs/dbraw/zinc/92/31/83/705923183.db2.gz LMNFNQFVAACHRH-VQHVLOKHSA-N -1 3 351.859 3.209 20 0 FGADHM O=C(Cc1cc(Cl)c2c(c1)OCCO2)[N-]OCc1ccc(F)cc1 ZINC000184214136 705923791 /nfs/dbraw/zinc/92/37/91/705923791.db2.gz SMIQARCOFZCKJH-UHFFFAOYSA-N -1 3 351.761 3.041 20 0 FGADHM COC(=O)CN(Cc1ccc(C#N)cc1C)Cc1cc(Cl)ccc1[O-] ZINC000186291826 712714603 /nfs/dbraw/zinc/71/46/03/712714603.db2.gz QHJDBMTWUQIUKJ-UHFFFAOYSA-N -1 3 358.825 3.401 20 0 FGADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)[C@H](O)c2ccc(F)cc2)sc1Cl ZINC000188039536 712759907 /nfs/dbraw/zinc/75/99/07/712759907.db2.gz FIDAPMBFNFYUOA-ZANVPECISA-N -1 3 363.863 3.249 20 0 FGADHM O=C(Cc1ccccc1O)[N-]OCc1ccc(F)cc1Br ZINC000188911668 712780742 /nfs/dbraw/zinc/78/07/42/712780742.db2.gz ZDDFQOWCDRKKGB-UHFFFAOYSA-N -1 3 354.175 3.084 20 0 FGADHM Cc1cc(Br)c(O)c([N-]S(=O)(=O)CCCCCl)c1 ZINC000190818413 712823577 /nfs/dbraw/zinc/82/35/77/712823577.db2.gz PNNKLQXVJLDQEJ-UHFFFAOYSA-N -1 3 356.669 3.224 20 0 FGADHM CCCCc1nc(NC(=O)c2ccnc(Cl)c2)c(C(=O)OCC)[n-]1 ZINC000191964355 712848306 /nfs/dbraw/zinc/84/83/06/712848306.db2.gz UYFLSAFHRYRHME-UHFFFAOYSA-N -1 3 350.806 3.230 20 0 FGADHM CCN(CCOC)Cc1cc(Br)c([O-])c(Br)c1 ZINC000233473104 713579444 /nfs/dbraw/zinc/57/94/44/713579444.db2.gz QHWZHYZYTQDQQZ-UHFFFAOYSA-N -1 3 367.081 3.386 20 0 FGADHM CCOc1cc(C=NNC(=O)c2ccccc2)cc(Br)c1[O-] ZINC000254435110 713675959 /nfs/dbraw/zinc/67/59/59/713675959.db2.gz XNNGGOZPFICQNE-UHFFFAOYSA-N -1 3 363.211 3.317 20 0 FGADHM O=c1cc(CNc2ncc(Br)cc2F)nc(C2CCC2)[n-]1 ZINC000641681261 717919685 /nfs/dbraw/zinc/91/96/85/717919685.db2.gz KKQQQIZDJKEOFB-UHFFFAOYSA-N -1 3 353.195 3.358 20 0 FGADHM CO[C@H]1CCCC[C@H]1S(=O)(=O)[N-]c1cc2c(cc1Cl)CCC2=O ZINC000641686597 717920896 /nfs/dbraw/zinc/92/08/96/717920896.db2.gz WSAFNFDIWDRVKF-JKSUJKDBSA-N -1 3 357.859 3.168 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CC(=O)c1ccc(C(=O)N[C@@H](c2cccs2)C2(CO)CCC2)cc1[O-] ZINC000616891185 714609925 /nfs/dbraw/zinc/60/99/25/714609925.db2.gz YUOLDKCARVRZBW-KRWDZBQOSA-N -1 3 359.447 3.290 20 0 FGADHM CCOC(=O)c1ncc(NC(=O)CCSc2ccc(Cl)cc2)[n-]1 ZINC000617870462 714698445 /nfs/dbraw/zinc/69/84/45/714698445.db2.gz SGCQMMFBTPMKHI-UHFFFAOYSA-N -1 3 353.831 3.361 20 0 FGADHM CCOC(=O)c1nc(NC(=O)CCSc2ccc(Cl)cc2)c[n-]1 ZINC000617870462 714698446 /nfs/dbraw/zinc/69/84/46/714698446.db2.gz SGCQMMFBTPMKHI-UHFFFAOYSA-N -1 3 353.831 3.361 20 0 FGADHM CCOC(=O)c1ncc(NC(=O)C[C@@H](c2ccccc2)C(F)(F)F)[n-]1 ZINC000617872788 714699160 /nfs/dbraw/zinc/69/91/60/714699160.db2.gz YZRWKWNPBGDWTC-NSHDSACASA-N -1 3 355.316 3.261 20 0 FGADHM CCOC(=O)c1nc(NC(=O)C[C@@H](c2ccccc2)C(F)(F)F)c[n-]1 ZINC000617872788 714699163 /nfs/dbraw/zinc/69/91/63/714699163.db2.gz YZRWKWNPBGDWTC-NSHDSACASA-N -1 3 355.316 3.261 20 0 FGADHM CCOC(=O)c1ncc(NC(=O)c2ccc(C)c(Br)c2C)[n-]1 ZINC000619449535 714836548 /nfs/dbraw/zinc/83/65/48/714836548.db2.gz LWMVVKIAIXHKDY-UHFFFAOYSA-N -1 3 366.215 3.218 20 0 FGADHM CCOC(=O)c1nc(NC(=O)c2ccc(C)c(Br)c2C)c[n-]1 ZINC000619449535 714836552 /nfs/dbraw/zinc/83/65/52/714836552.db2.gz LWMVVKIAIXHKDY-UHFFFAOYSA-N -1 3 366.215 3.218 20 0 FGADHM CCOC(=O)c1ncc(NC(=O)CC2(CSc3ccccc3)CC2)[n-]1 ZINC000619448728 714836577 /nfs/dbraw/zinc/83/65/77/714836577.db2.gz DFRWUEMWDGMJIT-UHFFFAOYSA-N -1 3 359.451 3.488 20 0 FGADHM CCOC(=O)c1nc(NC(=O)CC2(CSc3ccccc3)CC2)c[n-]1 ZINC000619448728 714836580 /nfs/dbraw/zinc/83/65/80/714836580.db2.gz DFRWUEMWDGMJIT-UHFFFAOYSA-N -1 3 359.451 3.488 20 0 FGADHM COc1ccc(C(=O)NC[C@@H]2CCN(c3ccc(Cl)cc3)C2)c([O-])c1 ZINC000620637215 714927403 /nfs/dbraw/zinc/92/74/03/714927403.db2.gz UVUZDXYCQMADHA-ZDUSSCGKSA-N -1 3 360.841 3.311 20 0 FGADHM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1cccc2c1CCN(C)C2 ZINC000621149163 714965746 /nfs/dbraw/zinc/96/57/46/714965746.db2.gz KZEPFMKTOQPWDV-UHFFFAOYSA-N -1 3 350.871 3.437 20 0 FGADHM O=C(N[C@H]1CCCc2[nH]c(=O)ccc21)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621422587 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357.372 3.494 20 0 FGADHM CSc1nnc(CCCNC(=O)c2c(C)cccc2[O-])n1CC(C)C ZINC000623518381 715352778 /nfs/dbraw/zinc/35/27/78/715352778.db2.gz QTXPCEMNHFNBCK-UHFFFAOYSA-N -1 3 362.499 3.033 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]C[C@@H](c2cccnc2)C(C)C)c(F)c1F ZINC000625053452 715648755 /nfs/dbraw/zinc/64/87/55/715648755.db2.gz OTLMQBHLMKEJBS-CQSZACIVSA-N -1 3 354.422 3.386 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)CC(=O)c2cccs2)c(F)c1F ZINC000625091034 715657079 /nfs/dbraw/zinc/65/70/79/715657079.db2.gz MOQRYSPWTUXJAL-JTQLQIEISA-N -1 3 359.419 3.275 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-][C@H](C)CC(=O)c2cccs2)c(F)c1F ZINC000625091035 715657435 /nfs/dbraw/zinc/65/74/35/715657435.db2.gz MOQRYSPWTUXJAL-SNVBAGLBSA-N -1 3 359.419 3.275 20 0 FGADHM CS(=O)(=O)[N-]c1cc(C(=O)OCc2ccc3occc3c2)ccc1F ZINC000802851779 724412231 /nfs/dbraw/zinc/41/22/31/724412231.db2.gz IBMAVEWXBWTHRN-UHFFFAOYSA-N -1 3 363.366 3.300 20 0 FGADHM C[C@@H](Oc1ccc(C=O)cc1)C(=O)Nc1cc(Br)ccc1[O-] ZINC000802888731 724415877 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O=C(Nc1cccc(N2CCCCC2=O)c1)c1[n-]cnc1C(F)(F)F ZINC000821738010 729111223 /nfs/dbraw/zinc/11/12/23/729111223.db2.gz SBGLCJUYXFFWCC-UHFFFAOYSA-N -1 3 352.316 3.198 20 0 FGADHM O=C(Nc1cccc(N2CCCCC2=O)c1)c1nc[n-]c1C(F)(F)F ZINC000821738010 729111227 /nfs/dbraw/zinc/11/12/27/729111227.db2.gz SBGLCJUYXFFWCC-UHFFFAOYSA-N -1 3 352.316 3.198 20 0 FGADHM Cc1cccc(C)c1NC(=O)CNc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822293761 729159931 /nfs/dbraw/zinc/15/99/31/729159931.db2.gz KMSQVKZDARXTJJ-UHFFFAOYSA-N -1 3 356.817 3.188 20 0 FGADHM Brc1ccc2oc(NCc3cccc(-c4nnn[n-]4)c3)nc2c1 ZINC000823832892 729307876 /nfs/dbraw/zinc/30/78/76/729307876.db2.gz YGKVPCHJLCVREU-UHFFFAOYSA-N -1 3 371.198 3.383 20 0 FGADHM Brc1ccc2oc(NCc3cccc(-c4nn[n-]n4)c3)nc2c1 ZINC000823832892 729307879 /nfs/dbraw/zinc/30/78/79/729307879.db2.gz YGKVPCHJLCVREU-UHFFFAOYSA-N -1 3 371.198 3.383 20 0 FGADHM CC(C)(C)CC(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000824079024 729318700 /nfs/dbraw/zinc/31/87/00/729318700.db2.gz MCTLQTSXURUTCC-UHFFFAOYSA-N -1 3 359.821 3.081 20 0 FGADHM CC(C)(C)CC(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000824079024 729318701 /nfs/dbraw/zinc/31/87/01/729318701.db2.gz MCTLQTSXURUTCC-UHFFFAOYSA-N -1 3 359.821 3.081 20 0 FGADHM C[C@@H](OC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1ccc(Cl)cc1Cl ZINC000824721774 729356537 /nfs/dbraw/zinc/35/65/37/729356537.db2.gz DLCDIKKHIBKFBM-SSDOTTSWSA-N -1 3 352.181 3.420 20 0 FGADHM C[C@@H](OC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccc(Cl)cc1Cl ZINC000824721774 729356540 /nfs/dbraw/zinc/35/65/40/729356540.db2.gz DLCDIKKHIBKFBM-SSDOTTSWSA-N -1 3 352.181 3.420 20 0 FGADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)[C@H](C)Sc1nc3ccccc3s1)C2 ZINC000825034467 729368574 /nfs/dbraw/zinc/36/85/74/729368574.db2.gz IRMPTLDTSZTVDL-VIFPVBQESA-N -1 3 372.475 3.123 20 0 FGADHM CCOc1ccc2nc(NCc3cccc(-c4nnn[n-]4)c3)sc2c1 ZINC000825649001 729390354 /nfs/dbraw/zinc/39/03/54/729390354.db2.gz JAQNUUQCGYPMKW-UHFFFAOYSA-N -1 3 352.423 3.487 20 0 FGADHM CCOc1ccc2nc(NCc3cccc(-c4nn[n-]n4)c3)sc2c1 ZINC000825649001 729390355 /nfs/dbraw/zinc/39/03/55/729390355.db2.gz JAQNUUQCGYPMKW-UHFFFAOYSA-N -1 3 352.423 3.487 20 0 FGADHM CC(C)(C)OC(=O)N[C@H]1C[C@@H](CNC(=O)c2cc([O-])ccc2Cl)C1 ZINC000825910820 729399135 /nfs/dbraw/zinc/39/91/35/729399135.db2.gz DSPLEHDKLADXPI-PHIMTYICSA-N -1 3 354.834 3.079 20 0 FGADHM Cc1csc(CCNc2ccc(Br)cc2-c2nnn[n-]2)n1 ZINC000826320895 729407091 /nfs/dbraw/zinc/40/70/91/729407091.db2.gz JALPGIVLQRPWFI-UHFFFAOYSA-N -1 3 365.260 3.049 20 0 FGADHM Cc1csc(CCNc2ccc(Br)cc2-c2nn[n-]n2)n1 ZINC000826320895 729407093 /nfs/dbraw/zinc/40/70/93/729407093.db2.gz JALPGIVLQRPWFI-UHFFFAOYSA-N -1 3 365.260 3.049 20 0 FGADHM Clc1ccc(COCCNc2cnccc2-c2nnn[n-]2)c(Cl)c1 ZINC000826352350 729407334 /nfs/dbraw/zinc/40/73/34/729407334.db2.gz XUODZJWDIXAMBR-UHFFFAOYSA-N -1 3 365.224 3.197 20 0 FGADHM Clc1ccc(COCCNc2cnccc2-c2nn[n-]n2)c(Cl)c1 ZINC000826352350 729407336 /nfs/dbraw/zinc/40/73/36/729407336.db2.gz XUODZJWDIXAMBR-UHFFFAOYSA-N -1 3 365.224 3.197 20 0 FGADHM Cc1nnc([C@H](C)Sc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)o1 ZINC000826335736 729407364 /nfs/dbraw/zinc/40/73/64/729407364.db2.gz ZHNBCZMCANAIID-LURJTMIESA-N -1 3 356.333 3.430 20 0 FGADHM Cc1nnc([C@H](C)Sc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)o1 ZINC000826335736 729407366 /nfs/dbraw/zinc/40/73/66/729407366.db2.gz ZHNBCZMCANAIID-LURJTMIESA-N -1 3 356.333 3.430 20 0 FGADHM Fc1ccccc1CN[C@@H](c1cccc(-c2nnn[n-]2)c1)C(F)(F)F ZINC000826378227 729407649 /nfs/dbraw/zinc/40/76/49/729407649.db2.gz AGJWOWUDOZFIAP-AWEZNQCLSA-N -1 3 351.307 3.399 20 0 FGADHM Fc1ccccc1CN[C@@H](c1cccc(-c2nn[n-]n2)c1)C(F)(F)F ZINC000826378227 729407650 /nfs/dbraw/zinc/40/76/50/729407650.db2.gz AGJWOWUDOZFIAP-AWEZNQCLSA-N -1 3 351.307 3.399 20 0 FGADHM Fc1cccc(CN[C@H](c2cccc(-c3nnn[n-]3)c2)C(F)(F)F)c1 ZINC000826376712 729407767 /nfs/dbraw/zinc/40/77/67/729407767.db2.gz OPZLDNRLJJUQNY-CQSZACIVSA-N -1 3 351.307 3.399 20 0 FGADHM Fc1cccc(CN[C@H](c2cccc(-c3nn[n-]n3)c2)C(F)(F)F)c1 ZINC000826376712 729407768 /nfs/dbraw/zinc/40/77/68/729407768.db2.gz OPZLDNRLJJUQNY-CQSZACIVSA-N -1 3 351.307 3.399 20 0 FGADHM O=C(CSc1cccc(Cl)c1-c1nnn[n-]1)NC1CCCCC1 ZINC000826421119 729407958 /nfs/dbraw/zinc/40/79/58/729407958.db2.gz SMUDMUQHYGBESY-UHFFFAOYSA-N -1 3 351.863 3.061 20 0 FGADHM O=C(CSc1cccc(Cl)c1-c1nn[n-]n1)NC1CCCCC1 ZINC000826421119 729407959 /nfs/dbraw/zinc/40/79/59/729407959.db2.gz SMUDMUQHYGBESY-UHFFFAOYSA-N -1 3 351.863 3.061 20 0 FGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)OCCCc1ccsc1 ZINC000826420970 729407998 /nfs/dbraw/zinc/40/79/98/729407998.db2.gz LMPDWXPNZXZCGZ-UHFFFAOYSA-N -1 3 360.464 3.196 20 0 FGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)OCCCc1ccsc1 ZINC000826420970 729407999 /nfs/dbraw/zinc/40/79/99/729407999.db2.gz LMPDWXPNZXZCGZ-UHFFFAOYSA-N -1 3 360.464 3.196 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)[C@H]1CCc2c1cccc2Cl ZINC000826454504 729408057 /nfs/dbraw/zinc/40/80/57/729408057.db2.gz ZAOSNRYOLZKLJE-LBPRGKRZSA-N -1 3 357.776 3.328 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)[C@H]1CCc2c1cccc2Cl ZINC000826454504 729408058 /nfs/dbraw/zinc/40/80/58/729408058.db2.gz ZAOSNRYOLZKLJE-LBPRGKRZSA-N -1 3 357.776 3.328 20 0 FGADHM Oc1cccc2c1CC[C@H]2Nc1ccc(Br)cc1-c1nnn[n-]1 ZINC000826511553 729408284 /nfs/dbraw/zinc/40/82/84/729408284.db2.gz UZNGHOZYCXGJCC-CYBMUJFWSA-N -1 3 372.226 3.434 20 0 FGADHM Oc1cccc2c1CC[C@H]2Nc1ccc(Br)cc1-c1nn[n-]n1 ZINC000826511553 729408285 /nfs/dbraw/zinc/40/82/85/729408285.db2.gz UZNGHOZYCXGJCC-CYBMUJFWSA-N -1 3 372.226 3.434 20 0 FGADHM C[C@@H](N[C@@H](C(=O)[O-])c1cccnc1)c1ccc(OCC(F)(F)F)cc1 ZINC000827718455 729433720 /nfs/dbraw/zinc/43/37/20/729433720.db2.gz SLHKWRZXMBGHFL-IAQYHMDHSA-N -1 3 354.328 3.499 20 0 FGADHM C[C@@H]1CCN(Cc2cc3ccncc3s2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000827844352 729435847 /nfs/dbraw/zinc/43/58/47/729435847.db2.gz LXHIWVYZNSDQEL-MFKMUULPSA-N -1 3 357.401 3.185 20 0 FGADHM COC(=O)c1cnc([C@@H]2CCCN(Cc3c(F)ccc([O-])c3F)C2)s1 ZINC000827950145 729437732 /nfs/dbraw/zinc/43/77/32/729437732.db2.gz QAVSPUFQPWXJND-SNVBAGLBSA-N -1 3 368.405 3.293 20 0 FGADHM Cc1noc(C2CC2)c1C(=O)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1 ZINC000828742115 729447353 /nfs/dbraw/zinc/44/73/53/729447353.db2.gz CVSFEKKVPOENOH-UHFFFAOYSA-N -1 3 359.773 3.257 20 0 FGADHM O=C(CCCc1ccc([O-])c(F)c1)NC[C@H]1CCC[C@H](C(F)(F)F)O1 ZINC000830699357 729584021 /nfs/dbraw/zinc/58/40/21/729584021.db2.gz BBYWWVNEHVTHMR-IUODEOHRSA-N -1 3 363.351 3.470 20 0 FGADHM CCON1CCC(CC(=O)[N-]OCc2ccc(C(F)(F)F)cc2)CC1 ZINC000830752726 729591755 /nfs/dbraw/zinc/59/17/55/729591755.db2.gz ADYJVCXPNCTNDC-UHFFFAOYSA-N -1 3 360.376 3.307 20 0 FGADHM COC(=O)c1nc([N-]C(=O)c2conc2C(F)(F)F)sc1C1CC1 ZINC000834435554 729803160 /nfs/dbraw/zinc/80/31/60/729803160.db2.gz IAAUNZRSZNEPAV-UHFFFAOYSA-N -1 3 361.301 3.066 20 0 FGADHM CC(C)(C)OC(=O)Nc1cccc(CC(=O)[N-]OCC(C)(C)O)c1Cl ZINC000834628270 729820041 /nfs/dbraw/zinc/82/00/41/729820041.db2.gz DQVNSMDWRPKDIR-UHFFFAOYSA-N -1 3 372.849 3.048 20 0 FGADHM COc1ccc(N[C@@H](C)CCCc2cccnc2)cc1[N-]S(C)(=O)=O ZINC000834744123 729830514 /nfs/dbraw/zinc/83/05/14/729830514.db2.gz KMPPDSMOGWSLMI-AWEZNQCLSA-N -1 3 363.483 3.285 20 0 FGADHM CS(=O)(=O)[N-]c1cc(C(=O)OC[C@H]2CCCCC2(F)F)ccc1F ZINC000835638900 729906689 /nfs/dbraw/zinc/90/66/89/729906689.db2.gz RFCIICJJHJESSN-LLVKDONJSA-N -1 3 365.373 3.180 20 0 FGADHM COC(=O)c1cc(C(=O)O[C@H](c2ccc(OC)cc2)C(F)(F)F)c[n-]1 ZINC000835692462 729911238 /nfs/dbraw/zinc/91/12/38/729911238.db2.gz QTKADSRHIXBOEZ-CYBMUJFWSA-N -1 3 357.284 3.270 20 0 FGADHM CC(C)[C@H](CO)ON=C([O-])Nc1ncc(Cc2ccc(F)c(F)c2)s1 ZINC000836229654 729948765 /nfs/dbraw/zinc/94/87/65/729948765.db2.gz GUMUDBDSXBBINQ-AWEZNQCLSA-N -1 3 371.409 3.082 20 0 FGADHM CC(C)[C@H](CO)O[N-]C(=O)Nc1ncc(Cc2ccc(F)c(F)c2)s1 ZINC000836229654 729948766 /nfs/dbraw/zinc/94/87/66/729948766.db2.gz GUMUDBDSXBBINQ-AWEZNQCLSA-N -1 3 371.409 3.082 20 0 FGADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1cc(Cl)c(Cl)cc1OC ZINC000836556281 729960217 /nfs/dbraw/zinc/96/02/17/729960217.db2.gz HLORAKIOEYDOCQ-UHFFFAOYSA-N -1 3 365.213 3.397 20 0 FGADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1cc(Cl)c(Cl)cc1OC ZINC000836556281 729960218 /nfs/dbraw/zinc/96/02/18/729960218.db2.gz HLORAKIOEYDOCQ-UHFFFAOYSA-N -1 3 365.213 3.397 20 0 FGADHM CCCCn1ncc(NC([O-])=NOC(C)(C)C(=O)OCC)c1C(C)C ZINC000836560540 729960371 /nfs/dbraw/zinc/96/03/71/729960371.db2.gz YFDNMSFEKWMESZ-UHFFFAOYSA-N -1 3 354.451 3.201 20 0 FGADHM CCCCn1ncc(NC(=O)[N-]OC(C)(C)C(=O)OCC)c1C(C)C ZINC000836560540 729960372 /nfs/dbraw/zinc/96/03/72/729960372.db2.gz YFDNMSFEKWMESZ-UHFFFAOYSA-N -1 3 354.451 3.201 20 0 FGADHM Cc1nc(NC([O-])=NO[C@@H](CO)C(C)C)sc1Cc1ccc(F)cc1 ZINC000836622717 729962939 /nfs/dbraw/zinc/96/29/39/729962939.db2.gz UIZAUXYYFIPHBS-AWEZNQCLSA-N -1 3 367.446 3.251 20 0 FGADHM Cc1nc(NC(=O)[N-]O[C@@H](CO)C(C)C)sc1Cc1ccc(F)cc1 ZINC000836622717 729962940 /nfs/dbraw/zinc/96/29/40/729962940.db2.gz UIZAUXYYFIPHBS-AWEZNQCLSA-N -1 3 367.446 3.251 20 0 FGADHM Cc1cc(C(=O)CCC(=O)OCc2cc(=O)[n-]c(C3CC3)n2)c(C)s1 ZINC000837323806 730017677 /nfs/dbraw/zinc/01/76/77/730017677.db2.gz SSCSLPXIYFISPJ-UHFFFAOYSA-N -1 3 360.435 3.444 20 0 FGADHM O=C(OCc1cc(=O)[n-]c(C2CC2)n1)c1ccc(Cl)nc1C(F)(F)F ZINC000837674114 730052885 /nfs/dbraw/zinc/05/28/85/730052885.db2.gz SSHIENDQIXIORS-UHFFFAOYSA-N -1 3 373.718 3.484 20 0 FGADHM Cc1c(=O)[n-]cnc1NC[C@](C)(O)c1ccc(Br)cc1Cl ZINC000840767450 730171284 /nfs/dbraw/zinc/17/12/84/730171284.db2.gz QMVXUXWMORBRSV-AWEZNQCLSA-N -1 3 372.650 3.226 20 0 FGADHM COCCOCc1ccc(CN[C@@H](C(=O)[O-])c2ccc(Cl)cc2)cc1 ZINC000841794809 730274539 /nfs/dbraw/zinc/27/45/39/730274539.db2.gz CRKQMNYUBWPULU-GOSISDBHSA-N -1 3 363.841 3.419 20 0 FGADHM Cc1cc(=O)[n-]c(CS[C@@H]2CCN([C@H](C)c3ccc(F)cc3)C2=O)n1 ZINC000842174426 730304725 /nfs/dbraw/zinc/30/47/25/730304725.db2.gz CZUDNTGELKTPQE-IUODEOHRSA-N -1 3 361.442 3.225 20 0 FGADHM Cc1cc(=O)[n-]c(CS[C@@H]2CCN([C@@H](C)c3ccc(F)cc3)C2=O)n1 ZINC000842174427 730304897 /nfs/dbraw/zinc/30/48/97/730304897.db2.gz CZUDNTGELKTPQE-SWLSCSKDSA-N -1 3 361.442 3.225 20 0 FGADHM CC[C@H](COC(=O)c1ccc([N-]S(C)(=O)=O)cc1)CC(F)(F)F ZINC000843004283 730567623 /nfs/dbraw/zinc/56/76/23/730567623.db2.gz FEROUHRALOWWDB-JTQLQIEISA-N -1 3 353.362 3.194 20 0 FGADHM [O-]c1cccc(CN2CCc3cc(Cl)nnc3C2)c1Br ZINC000843416779 730617725 /nfs/dbraw/zinc/61/77/25/730617725.db2.gz XOSOQWVNIDBWCF-UHFFFAOYSA-N -1 3 354.635 3.156 20 0 FGADHM Cc1ccc(CN2CCSCC2)cc1NC(=O)c1ccc(N)cc1[O-] ZINC000844179760 730690921 /nfs/dbraw/zinc/69/09/21/730690921.db2.gz JZVLREXPBFZXAG-UHFFFAOYSA-N -1 3 357.479 3.084 20 0 FGADHM O=C(Cc1cn2c(n1)CCCC2)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000845854697 730903552 /nfs/dbraw/zinc/90/35/52/730903552.db2.gz XMDUTFUFEULOEK-UHFFFAOYSA-N -1 3 353.344 3.029 20 0 FGADHM CS[C@H]1CC[C@H]([N-]S(=O)(=O)c2sc(Br)cc2C)C1 ZINC000845883188 730906066 /nfs/dbraw/zinc/90/60/66/730906066.db2.gz MCHJJVMQDHSJJI-IUCAKERBSA-N -1 3 370.359 3.381 20 0 FGADHM COc1ccc(Br)cc1CN1C[C@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000846286119 730943833 /nfs/dbraw/zinc/94/38/33/730943833.db2.gz 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/nfs/dbraw/zinc/69/95/89/494699589.db2.gz WOGJKYGHQOTEAZ-QGZVFWFLSA-N -1 3 368.433 3.030 20 0 FGADHM COc1cc(F)cc2sc([N-]C(=O)c3nnc4ccccc4n3)nc21 ZINC000571454321 505736957 /nfs/dbraw/zinc/73/69/57/505736957.db2.gz FWDUWKBWODIUJG-UHFFFAOYSA-N -1 3 355.354 3.035 20 0 FGADHM COc1cccc(C(=O)N2CCC([C@@H](O)c3ccc(F)cc3)CC2)c1[O-] ZINC000108457865 494712485 /nfs/dbraw/zinc/71/24/85/494712485.db2.gz WIPKILRVHBXGFH-SFHVURJKSA-N -1 3 359.397 3.126 20 0 FGADHM Cc1ccc(NC(=O)NC[C@@H]2CCCN(Cc3nc(C)ccc3[O-])C2)cc1 ZINC000092708786 494723170 /nfs/dbraw/zinc/72/31/70/494723170.db2.gz AENQGXOMCPGDRY-KRWDZBQOSA-N -1 3 368.481 3.438 20 0 FGADHM CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(C)(C)C2CCCCC2)s1 ZINC000131803031 494734793 /nfs/dbraw/zinc/73/47/93/494734793.db2.gz PACBPNVDPGFAGS-UHFFFAOYSA-N -1 3 372.556 3.269 20 0 FGADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCS[C@@H]2COCC[C@@H]21 ZINC000092762688 494740181 /nfs/dbraw/zinc/74/01/81/494740181.db2.gz NDVHPRGMZHIUJJ-AZUAARDMSA-N -1 3 369.486 3.330 20 0 FGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H]1CCc2cc(Cl)ccc21 ZINC000080601764 494742055 /nfs/dbraw/zinc/74/20/55/494742055.db2.gz IWJFHICPVAXAIQ-AWEZNQCLSA-N -1 3 359.857 3.447 20 0 FGADHM CCc1ccc([O-])c(C(=O)N2CCCC[C@@H]2CNC(=O)c2ccccc2)c1 ZINC000091992799 494746940 /nfs/dbraw/zinc/74/69/40/494746940.db2.gz ZZKVKUDVUHONPO-GOSISDBHSA-N -1 3 366.461 3.379 20 0 FGADHM CC(C)S(=O)(=O)c1ccccc1C(=O)[N-]c1nc(C(C)(C)C)ns1 ZINC000068072445 494750221 /nfs/dbraw/zinc/75/02/21/494750221.db2.gz YUFXTVDGRFDVQK-UHFFFAOYSA-N -1 3 367.496 3.270 20 0 FGADHM COC(=O)c1cccc(S(=O)(=O)[N-]c2cc(F)ccc2Cl)c1C ZINC000108759660 494780615 /nfs/dbraw/zinc/78/06/15/494780615.db2.gz PPSPKHHLHCGOFK-UHFFFAOYSA-N -1 3 357.790 3.375 20 0 FGADHM Cc1ccccc1[C@@H](C)CC(=O)NCCCNC(=O)c1cccc([O-])c1 ZINC000116444343 494788308 /nfs/dbraw/zinc/78/83/08/494788308.db2.gz ARUPHPFYBBHPQF-INIZCTEOSA-N -1 3 354.450 3.131 20 0 FGADHM C[C@@H](CC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)c1cccc(F)c1 ZINC000116442333 494788448 /nfs/dbraw/zinc/78/84/48/494788448.db2.gz VNNMOGGQOAGYDH-HNNXBMFYSA-N -1 3 370.424 3.010 20 0 FGADHM O=C(NCc1ccc(Oc2cccnc2)c(F)c1)c1c([O-])cccc1O ZINC000092119968 494796473 /nfs/dbraw/zinc/79/64/73/494796473.db2.gz LUUMWFAXVKVIFC-UHFFFAOYSA-N -1 3 354.337 3.354 20 0 FGADHM O=S(=O)([N-]C[C@H](c1ccccc1)N1CCCC1)c1cccc(F)c1F ZINC000116606231 494823652 /nfs/dbraw/zinc/82/36/52/494823652.db2.gz KUAOQUVLMYUPLK-MRXNPFEDSA-N -1 3 366.433 3.080 20 0 FGADHM O=C(Cc1ccc2c(c1)OCO2)Nc1cc(Br)ccc1[O-] ZINC000126710039 494823896 /nfs/dbraw/zinc/82/38/96/494823896.db2.gz YBCDPJXKJFTJEC-UHFFFAOYSA-N -1 3 350.168 3.065 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N[C@@H](C)Cc3ccc(O)cc3)c[n-]c12 ZINC000132154360 494829821 /nfs/dbraw/zinc/82/98/21/494829821.db2.gz FNJIBUPLDCTUMT-LBPRGKRZSA-N -1 3 354.381 3.042 20 0 FGADHM Cc1cccc(NC(=O)[C@H]2CSCN2C(=O)c2cccc(C)c2[O-])c1C ZINC000109213655 494847189 /nfs/dbraw/zinc/84/71/89/494847189.db2.gz ZIQNOYATRXKFBA-QGZVFWFLSA-N -1 3 370.474 3.471 20 0 FGADHM COc1ccc(-c2cncc(C(=O)Nc3ccc(-c4nnn[n-]4)cc3)c2)cc1 ZINC000126837253 494847165 /nfs/dbraw/zinc/84/71/65/494847165.db2.gz XXLIMAFYWUXRON-UHFFFAOYSA-N -1 3 372.388 3.190 20 0 FGADHM COc1ccc(-c2cncc(C(=O)Nc3ccc(-c4nn[n-]n4)cc3)c2)cc1 ZINC000126837253 494847171 /nfs/dbraw/zinc/84/71/71/494847171.db2.gz XXLIMAFYWUXRON-UHFFFAOYSA-N -1 3 372.388 3.190 20 0 FGADHM Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2cc(C)ccc2[O-])cc1 ZINC000109216623 494848783 /nfs/dbraw/zinc/84/87/83/494848783.db2.gz OWJRPALSTPYWKX-INIZCTEOSA-N -1 3 356.447 3.163 20 0 FGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)[C@@H]1C[C@H]1c1ccccc1OC ZINC000093313470 494866568 /nfs/dbraw/zinc/86/65/68/494866568.db2.gz IBPVCRJPAHCCFV-QWHCGFSZSA-N -1 3 358.394 3.165 20 0 FGADHM CCN(CC)C(=O)c1ccc(NC(=O)c2ccc3n[n-]nc3c2)cc1Cl ZINC000027394166 494867089 /nfs/dbraw/zinc/86/70/89/494867089.db2.gz YCNBAVBWUFXFFK-UHFFFAOYSA-N -1 3 371.828 3.346 20 0 FGADHM CC[C@H](SC)C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000121816866 494867095 /nfs/dbraw/zinc/86/70/95/494867095.db2.gz MYMBUEBKRVPCRV-NSHDSACASA-N -1 3 370.418 3.157 20 0 FGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)Cc1cc(F)c(F)cc1F ZINC000093315674 494867440 /nfs/dbraw/zinc/86/74/40/494867440.db2.gz JUCWKCTZAGSHJI-UHFFFAOYSA-N -1 3 356.300 3.012 20 0 FGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)c1cc(-c2ccccc2)on1 ZINC000093316813 494867833 /nfs/dbraw/zinc/86/78/33/494867833.db2.gz BSAHEXCIHSMYTA-UHFFFAOYSA-N -1 3 355.350 3.321 20 0 FGADHM COC(=O)c1cc(S(=O)(=O)[N-][C@H]2CCCc3ccc(C)cc32)oc1C ZINC000577535151 505746784 /nfs/dbraw/zinc/74/67/84/505746784.db2.gz NPWHJFFQKFJXBB-INIZCTEOSA-N -1 3 363.435 3.039 20 0 FGADHM CCCCOc1ccc(C(=O)NCC(=O)Nc2ccc([O-])cc2F)cc1 ZINC000121845999 494873408 /nfs/dbraw/zinc/87/34/08/494873408.db2.gz UVDKFKHQARBTRX-UHFFFAOYSA-N -1 3 360.385 3.079 20 0 FGADHM CC[C@H](C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)c1ccc(F)cc1 ZINC000126989685 494873711 /nfs/dbraw/zinc/87/37/11/494873711.db2.gz CXSGUPANKQDUTE-KRWDZBQOSA-N -1 3 370.424 3.010 20 0 FGADHM CCc1noc(CC)c1C[N-]S(=O)(=O)c1cc(C(C)=O)ccc1Cl ZINC000132462676 494877812 /nfs/dbraw/zinc/87/78/12/494877812.db2.gz HVZMPVYLMQDPIA-UHFFFAOYSA-N -1 3 370.858 3.134 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H]2Cc2cccc(F)c2)c1 ZINC000121882945 494881076 /nfs/dbraw/zinc/88/10/76/494881076.db2.gz LCCGCENNRJQVJO-QGZVFWFLSA-N -1 3 356.397 3.337 20 0 FGADHM COc1cc(Cl)c(C(=O)[N-]c2nnc(C(F)(F)F)s2)cc1OC ZINC000132479865 494881919 /nfs/dbraw/zinc/88/19/19/494881919.db2.gz SSSQVLIGBBNKMN-UHFFFAOYSA-N -1 3 367.736 3.480 20 0 FGADHM C[C@@H](Sc1n[n-]c(-c2ccccn2)n1)C(=O)NCc1ccccc1Cl ZINC000117113578 494892503 /nfs/dbraw/zinc/89/25/03/494892503.db2.gz TXLUCIQXRXNFQU-LLVKDONJSA-N -1 3 373.869 3.317 20 0 FGADHM Cc1cc(S(=O)(=O)NCc2ccc([O-])c(Br)c2)ccc1F ZINC000127269105 494919832 /nfs/dbraw/zinc/91/98/32/494919832.db2.gz OVIPPKJGGLTMGZ-UHFFFAOYSA-N -1 3 374.231 3.081 20 0 FGADHM Cc1ccc(S(=O)(=O)NCc2ccc([O-])c(Br)c2)s1 ZINC000127279002 494921731 /nfs/dbraw/zinc/92/17/31/494921731.db2.gz 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ZINC000093927254 494935476 /nfs/dbraw/zinc/93/54/76/494935476.db2.gz CUTBTFIXYFNYKK-MRXNPFEDSA-N -1 3 353.422 3.209 20 0 FGADHM Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2F)c(OCCN(C)C)c1 ZINC000127391561 494938268 /nfs/dbraw/zinc/93/82/68/494938268.db2.gz RPPHVIPZIOKLSO-UHFFFAOYSA-N -1 3 370.421 3.014 20 0 FGADHM Cc1ccc(C(=O)NCc2cccc(NC(=O)N3CCCC3)c2)c([O-])c1 ZINC000094033093 494941194 /nfs/dbraw/zinc/94/11/94/494941194.db2.gz BKKIWELJVBTVBC-UHFFFAOYSA-N -1 3 353.422 3.258 20 0 FGADHM C[C@@H](Oc1ccccc1Br)C(=O)NCc1ccc([O-])c(F)c1 ZINC000132948781 494946627 /nfs/dbraw/zinc/94/66/27/494946627.db2.gz AJJGRPXMJHSTPD-SNVBAGLBSA-N -1 3 368.202 3.378 20 0 FGADHM CCc1ccccc1-n1cnnc1SCC(=O)Nc1ccccc1[O-] ZINC000127515467 494955236 /nfs/dbraw/zinc/95/52/36/494955236.db2.gz GMYHIFFZAHRNOG-UHFFFAOYSA-N -1 3 354.435 3.266 20 0 FGADHM CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1ccccc1[O-] ZINC000127520724 494956568 /nfs/dbraw/zinc/95/65/68/494956568.db2.gz JSOBFVVLARHPOA-KDOFPFPSSA-N -1 3 352.434 3.330 20 0 FGADHM COc1ccc(-c2cnc(CCC(=O)NCc3ccc([O-])c(F)c3)o2)cc1 ZINC000133034512 494958970 /nfs/dbraw/zinc/95/89/70/494958970.db2.gz BTAJICGBPJCMSW-UHFFFAOYSA-N -1 3 370.380 3.444 20 0 FGADHM COC(=O)c1cc(CN(C)Cc2cc([O-])ccc2Br)oc1C ZINC000122435123 494975341 /nfs/dbraw/zinc/97/53/41/494975341.db2.gz UTIPOSMXLJULKD-UHFFFAOYSA-N -1 3 368.227 3.475 20 0 FGADHM COc1ccc(C(=O)N(Cc2ccccc2)CC2CCOCC2)c([O-])c1 ZINC000110391658 494975862 /nfs/dbraw/zinc/97/58/62/494975862.db2.gz MQRCLFSAQGMRTP-UHFFFAOYSA-N -1 3 355.434 3.470 20 0 FGADHM O=C(NCCc1ccccc1Cl)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000127703162 494984188 /nfs/dbraw/zinc/98/41/88/494984188.db2.gz HCGMRYMIQPKBER-KRWDZBQOSA-N -1 3 372.852 3.009 20 0 FGADHM O=S(=O)([N-]CCC[C@H]1CCCC[C@@H]1O)c1ccccc1C(F)(F)F ZINC000127702048 494984345 /nfs/dbraw/zinc/98/43/45/494984345.db2.gz RBXCVKRENHEECK-OCCSQVGLSA-N -1 3 365.417 3.315 20 0 FGADHM O=C(Nc1ccc(OCCO)cc1)c1c[n-]nc1-c1cccc(Cl)c1 ZINC000133234910 494988869 /nfs/dbraw/zinc/98/88/69/494988869.db2.gz BZUZUIRWVDVLJM-UHFFFAOYSA-N -1 3 357.797 3.354 20 0 FGADHM C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000127753980 494992611 /nfs/dbraw/zinc/99/26/11/494992611.db2.gz WFIAIGKFVZBSJY-IXDOHACOSA-N -1 3 372.509 3.465 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N(C)[C@H]2CCCN(c3ccccc3)C2)c1 ZINC000122557227 494994163 /nfs/dbraw/zinc/99/41/63/494994163.db2.gz ZIVKHYZPHMIIFZ-SFHVURJKSA-N -1 3 367.449 3.092 20 0 FGADHM Cc1c([N-]C(=O)c2c(F)cc(F)cc2F)c(=O)n(-c2ccccc2)n1C ZINC000127782525 494997407 /nfs/dbraw/zinc/99/74/07/494997407.db2.gz QYEHUHZJUXXJJM-UHFFFAOYSA-N -1 3 361.323 3.154 20 0 FGADHM Cc1ccc(C(=O)NCc2ccc(C(=O)Nc3ccncc3)cc2)c([O-])c1 ZINC000122581494 494998089 /nfs/dbraw/zinc/99/80/89/494998089.db2.gz FCQGFQULROSYBX-UHFFFAOYSA-N -1 3 361.401 3.278 20 0 FGADHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)OC)c(Cl)c1)c1nccs1 ZINC000133325950 495000518 /nfs/dbraw/zinc/00/05/18/495000518.db2.gz QXGKPZFUDJVVBH-GFCCVEGCSA-N -1 3 374.871 3.013 20 0 FGADHM 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TYHRINJZLOSKGU-UHFFFAOYSA-N -1 3 372.852 3.342 20 0 FGADHM O=S(=O)([N-]CCc1c[nH]c2ccccc12)c1ccc(Cl)cc1F ZINC000098068681 495052259 /nfs/dbraw/zinc/05/22/59/495052259.db2.gz KLUYRTQDCSWCJC-UHFFFAOYSA-N -1 3 352.818 3.481 20 0 FGADHM COC(=O)c1sc2[n-]c(Sc3ccccc3F)nc(=O)c2c1C ZINC000133825106 495066822 /nfs/dbraw/zinc/06/68/22/495066822.db2.gz PYBVJVONVZCNTL-UHFFFAOYSA-N -1 3 350.396 3.370 20 0 FGADHM CCc1nc([N-]C(=O)c2cc3sc(N(CC)CC)nc3s2)n[nH]1 ZINC000123076969 495076808 /nfs/dbraw/zinc/07/68/08/495076808.db2.gz LKSQRGVBCFUFJL-UHFFFAOYSA-N -1 3 350.473 3.137 20 0 FGADHM CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000123116551 495083339 /nfs/dbraw/zinc/08/33/39/495083339.db2.gz ZMRXFOOFPFFDSQ-MJGOQNOKSA-N -1 3 353.466 3.114 20 0 FGADHM CCO[C@@H]1C[C@@H](N(C)C(=O)c2cc(NC(C)=O)ccc2[O-])C1(CC)CC ZINC000123137378 495086086 /nfs/dbraw/zinc/08/60/86/495086086.db2.gz DIHBZAGBZLCVLS-QZTJIDSGSA-N -1 3 362.470 3.406 20 0 FGADHM 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Cc1ccc2c(CC(=O)Nc3ccc(Cc4nn[n-]n4)cc3)coc2c1C ZINC000135575999 495314022 /nfs/dbraw/zinc/31/40/22/495314022.db2.gz WDMFIRVYYRFIMI-UHFFFAOYSA-N -1 3 361.405 3.335 20 0 FGADHM CC[C@@]1(C)CN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)CCO1 ZINC000135628973 495320426 /nfs/dbraw/zinc/32/04/26/495320426.db2.gz KWFCZXATMUFYIL-SFHVURJKSA-N -1 3 359.451 3.246 20 0 FGADHM CC(C)C[C@H]1COCCN1Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000113941830 495337972 /nfs/dbraw/zinc/33/79/72/495337972.db2.gz FGFBSAOGPMEFNV-ZDUSSCGKSA-N -1 3 373.478 3.492 20 0 FGADHM CCOC[C@@H]1CCCN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)C1 ZINC000113936665 495337992 /nfs/dbraw/zinc/33/79/92/495337992.db2.gz CJOWENWEXAAGCZ-CYBMUJFWSA-N -1 3 373.478 3.493 20 0 FGADHM COc1cc(C(=O)Nc2cc(C)ccc2[N-]S(C)(=O)=O)ccc1Cl ZINC000135882268 495340505 /nfs/dbraw/zinc/34/05/05/495340505.db2.gz VJRWVKZELNNGPJ-UHFFFAOYSA-N -1 3 368.842 3.281 20 0 FGADHM CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1c([O-])cccc1F ZINC000120297030 495345920 /nfs/dbraw/zinc/34/59/20/495345920.db2.gz 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ZINC000105617112 495377021 /nfs/dbraw/zinc/37/70/21/495377021.db2.gz YCFKMYXSBMMCPN-VIFPVBQESA-N -1 3 372.368 3.102 20 0 FGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@H](C)c2ccccn2)cc1Cl ZINC000105615951 495377239 /nfs/dbraw/zinc/37/72/39/495377239.db2.gz PJDUNHWDNBMLHY-SECBINFHSA-N -1 3 361.250 3.437 20 0 FGADHM COc1ccc(-c2nnc([N-]C(=O)c3cn(CCC(C)C)nn3)s2)cc1 ZINC000136405899 495377666 /nfs/dbraw/zinc/37/76/66/495377666.db2.gz ZBZKOOSPWOSOIE-UHFFFAOYSA-N -1 3 372.454 3.104 20 0 FGADHM O=c1[n-]nc(SCc2csc(C3CC3)n2)n1CCc1ccccc1 ZINC000125049763 495382743 /nfs/dbraw/zinc/38/27/43/495382743.db2.gz KRQMRQYPUVBKLK-UHFFFAOYSA-N -1 3 358.492 3.440 20 0 FGADHM O=C(CSCc1cscn1)NCc1ccc([O-])c(Br)c1 ZINC000125122661 495393878 /nfs/dbraw/zinc/39/38/78/495393878.db2.gz JOVIBDQOHPPOKE-UHFFFAOYSA-N -1 3 373.297 3.161 20 0 FGADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000136980716 495414928 /nfs/dbraw/zinc/41/49/28/495414928.db2.gz UZUULUFPSHRBHA-CHWSQXEVSA-N -1 3 353.348 3.098 20 0 FGADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000136980716 495414930 /nfs/dbraw/zinc/41/49/30/495414930.db2.gz UZUULUFPSHRBHA-CHWSQXEVSA-N -1 3 353.348 3.098 20 0 FGADHM CCCCc1nnc([N-]C(=O)c2cccc(OCC(F)(F)F)n2)s1 ZINC000130598011 495417549 /nfs/dbraw/zinc/41/75/49/495417549.db2.gz ANLWFTLGLIQECM-UHFFFAOYSA-N -1 3 360.361 3.469 20 0 FGADHM Cc1ccc(S(C)(=O)=O)cc1C(=O)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000125337176 495429007 /nfs/dbraw/zinc/42/90/07/495429007.db2.gz NAKAJIZUDXWPFI-UHFFFAOYSA-N -1 3 373.352 3.375 20 0 FGADHM O=C(Nc1cccc(Cl)c1)N1CCCN(C(=O)c2ccccc2[O-])CC1 ZINC000120679695 495433612 /nfs/dbraw/zinc/43/36/12/495433612.db2.gz HNKFJRNEOAYAQU-UHFFFAOYSA-N -1 3 373.840 3.426 20 0 FGADHM COc1cc(C(=O)N2CCCN(c3ccc(C)cc3)CC2)cc(OC)c1[O-] ZINC000137264376 495433888 /nfs/dbraw/zinc/43/38/88/495433888.db2.gz JOOVUUISDHWMDL-UHFFFAOYSA-N -1 3 370.449 3.070 20 0 FGADHM O=C(COCCOc1ccccc1)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000125375457 495434391 /nfs/dbraw/zinc/43/43/91/495434391.db2.gz JZQYNDOCRDEHAZ-UHFFFAOYSA-N -1 3 355.312 3.445 20 0 FGADHM Cc1nn2c(nnc2SCCOc2cc(Cl)ccc2Cl)[n-]c1=O ZINC000114860718 495436462 /nfs/dbraw/zinc/43/64/62/495436462.db2.gz NHVAADBTLILDJW-UHFFFAOYSA-N -1 3 372.237 3.011 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1ccc(OC(F)F)c(Cl)c1)c1nccs1 ZINC000106238615 495438978 /nfs/dbraw/zinc/43/89/78/495438978.db2.gz QHLQQWJTIWMLNP-ZETCQYMHSA-N -1 3 368.814 3.437 20 0 FGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@@H](C)c2nccs2)cc1Cl ZINC000106237548 495439231 /nfs/dbraw/zinc/43/92/31/495439231.db2.gz GTOCMJZBZVAEMZ-ZETCQYMHSA-N -1 3 367.279 3.498 20 0 FGADHM C[C@@H](CCC(=O)Nc1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1)c1ccccc1 ZINC000137603965 495446539 /nfs/dbraw/zinc/44/65/39/495446539.db2.gz FEHJGHUEMBYOAX-LHSJRXKWSA-N -1 3 365.433 3.264 20 0 FGADHM C[C@H](O)C[C@H](C)C[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000120742212 495448223 /nfs/dbraw/zinc/44/82/23/495448223.db2.gz FRLNYWKMKPMAIK-IUCAKERBSA-N -1 3 359.797 3.044 20 0 FGADHM CCc1cc(=O)[n-]c(CS[C@@H]2CCN(c3c(F)cccc3F)C2=O)n1 ZINC000125514003 495456829 /nfs/dbraw/zinc/45/68/29/495456829.db2.gz KZPDNIHZZRAXIS-CYBMUJFWSA-N -1 3 365.405 3.062 20 0 FGADHM COc1cc(C)cc(C(=O)Nc2cccc(-c3nc(C)cc(=O)[n-]3)c2)c1O ZINC000106458677 495458014 /nfs/dbraw/zinc/45/80/14/495458014.db2.gz HWIIADFLWIHIOX-UHFFFAOYSA-N -1 3 365.389 3.020 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(NCCCn3cnc4ccccc43)nc2)n1 ZINC000130917449 495465836 /nfs/dbraw/zinc/46/58/36/495465836.db2.gz HDTCTCUXMBLHFC-UHFFFAOYSA-N -1 3 374.448 3.246 20 0 FGADHM CCc1cc(=O)[n-]c(CS[C@@H](C)C(=O)NCCc2ccccc2C)n1 ZINC000125583792 495465911 /nfs/dbraw/zinc/46/59/11/495465911.db2.gz BDBQQKHVSYMVDW-AWEZNQCLSA-N -1 3 359.495 3.034 20 0 FGADHM O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)c1c([O-])cccc1O ZINC000125600237 495469533 /nfs/dbraw/zinc/46/95/33/495469533.db2.gz GLAWOMKGOXUDFM-UHFFFAOYSA-N -1 3 360.841 3.146 20 0 FGADHM Cc1sc(=O)n(CCC(=O)Nc2ccc(Br)cc2[O-])c1C ZINC000115332361 495491183 /nfs/dbraw/zinc/49/11/83/495491183.db2.gz LUQNKMGGFFCPKM-UHFFFAOYSA-N -1 3 371.256 3.024 20 0 FGADHM CCCn1ccc2cc(NC(=O)C(=O)NCc3ccc([O-])c(F)c3)ccc21 ZINC000120961628 495492878 /nfs/dbraw/zinc/49/28/78/495492878.db2.gz SXXKKBFEYLGHLO-UHFFFAOYSA-N -1 3 369.396 3.151 20 0 FGADHM CCO[N-]C(=O)CCc1nc(C)c(-c2ccc(Br)cc2)o1 ZINC000106754373 495493138 /nfs/dbraw/zinc/49/31/38/495493138.db2.gz IGDKVSOSPJHJTB-UHFFFAOYSA-N -1 3 353.216 3.413 20 0 FGADHM CCc1cc(=O)[n-]c(CSCC(=O)N[C@@H](c2ccccc2)C(C)C)n1 ZINC000125757609 495494445 /nfs/dbraw/zinc/49/44/45/495494445.db2.gz SOHZDGQFHIUOKX-LJQANCHMSA-N -1 3 359.495 3.491 20 0 FGADHM CN(C[C@H]1CCCOC1)C(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000131141279 495498008 /nfs/dbraw/zinc/49/80/08/495498008.db2.gz HTVRCDXPFAKUMP-QGZVFWFLSA-N -1 3 355.434 3.470 20 0 FGADHM Cc1noc(C)c1S(=O)(=O)[N-]Cc1cn(-c2ccccc2)nc1C(C)C ZINC000131190735 495503702 /nfs/dbraw/zinc/50/37/02/495503702.db2.gz NKXJAVLMTJPZRK-UHFFFAOYSA-N -1 3 374.466 3.079 20 0 FGADHM CN(C(=O)c1c[n-]c2ccccc2c1=O)[C@@H]1CCCN(c2ccccc2)C1 ZINC000115457203 495507069 /nfs/dbraw/zinc/50/70/69/495507069.db2.gz VRCIYTKFCZUXPF-QGZVFWFLSA-N -1 3 361.445 3.269 20 0 FGADHM COc1cc(C)cc(C(=O)Nc2cccc(C(=O)NC(C)(C)C)c2)c1[O-] ZINC000106908301 495509712 /nfs/dbraw/zinc/50/97/12/495509712.db2.gz DSVRMHGNCABYNO-UHFFFAOYSA-N -1 3 356.422 3.490 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)C(=O)OC(C)(C)C ZINC000125876989 495512709 /nfs/dbraw/zinc/51/27/09/495512709.db2.gz OJKRHSCJNPKIGG-MRVPVSSYSA-N -1 3 354.255 3.002 20 0 FGADHM CC(=O)NCc1ccc(S(=O)(=O)[N-][C@@H](C)CCC2CCCCC2)s1 ZINC000115586767 495520224 /nfs/dbraw/zinc/52/02/24/495520224.db2.gz BCWKHDQWFUBKJI-ZDUSSCGKSA-N -1 3 372.556 3.412 20 0 FGADHM O=C(Cc1ccc([O-])cc1Cl)N(C[C@@H]1CCCO1)[C@H]1CCSC1 ZINC000182386394 495543405 /nfs/dbraw/zinc/54/34/05/495543405.db2.gz GTTOORGOZFTUBW-ZFWWWQNUSA-N -1 3 355.887 3.101 20 0 FGADHM Cc1nn(C)c2nc(C3CC3)cc(C(=O)[N-]c3nnc(C(F)F)s3)c12 ZINC000144558915 495546321 /nfs/dbraw/zinc/54/63/21/495546321.db2.gz BAJCCACOXFKOFJ-UHFFFAOYSA-N -1 3 364.381 3.196 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1cccc2c1OCCO2)c1cc2ccccc2o1 ZINC000170656756 495549245 /nfs/dbraw/zinc/54/92/45/495549245.db2.gz YFNKBVKICDJLME-LBPRGKRZSA-N -1 3 359.403 3.244 20 0 FGADHM CCN(Cc1ccc(S(=O)(=O)C(C)C)cc1)C1CCC(C(=O)[O-])CC1 ZINC000580571946 505789016 /nfs/dbraw/zinc/78/90/16/505789016.db2.gz JSBDUIMCGZJZQE-UHFFFAOYSA-N -1 3 367.511 3.334 20 0 FGADHM CC(C)C[C@@H](NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)c1ccccc1 ZINC000145437666 495556676 /nfs/dbraw/zinc/55/66/76/495556676.db2.gz ZRLHQTCCSQWOMB-QGZVFWFLSA-N -1 3 351.406 3.479 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-][C@H]1CCSc2ccc(F)cc21 ZINC000154281382 495566681 /nfs/dbraw/zinc/56/66/81/495566681.db2.gz NQARMDNYCWSUHG-NSHDSACASA-N -1 3 359.469 3.411 20 0 FGADHM O=S(=O)([N-][C@H]1CCCC[C@@H]1n1cccn1)c1ccc(F)cc1Cl ZINC000173539049 495579628 /nfs/dbraw/zinc/57/96/28/495579628.db2.gz IFTCHOCNSDRBLN-KBPBESRZSA-N -1 3 357.838 3.138 20 0 FGADHM O=S(=O)([N-][C@H]1CCCC[C@@H]1n1cccn1)c1ccccc1C(F)(F)F ZINC000173542132 495580839 /nfs/dbraw/zinc/58/08/39/495580839.db2.gz TUNBYEAVRMGNQI-KBPBESRZSA-N -1 3 373.400 3.364 20 0 FGADHM COC[C@H]([N-]S(=O)(=O)c1ccccc1Br)c1ccccc1 ZINC000170735696 495583891 /nfs/dbraw/zinc/58/38/91/495583891.db2.gz AMNMALACSIZQAN-AWEZNQCLSA-N -1 3 370.268 3.115 20 0 FGADHM CC(C)c1cccc(-n2cc([O-])c(C(=O)N(C)[C@@H]3CCN(C)[C@H](C)C3)n2)c1 ZINC000176304605 495589548 /nfs/dbraw/zinc/58/95/48/495589548.db2.gz XRFHIPQDTMVRFK-NVXWUHKLSA-N -1 3 370.497 3.256 20 0 FGADHM O=C(Cc1ccc([O-])cc1Cl)N[C@H]1CCN(c2c(F)cccc2F)C1 ZINC000158802330 495592135 /nfs/dbraw/zinc/59/21/35/495592135.db2.gz ITICKACYHQNGFW-LBPRGKRZSA-N -1 3 366.795 3.261 20 0 FGADHM CCc1ccc(S(C)(=O)=O)cc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000179458883 495598665 /nfs/dbraw/zinc/59/86/65/495598665.db2.gz YMHAMZJMQRDFHK-UHFFFAOYSA-N -1 3 353.827 3.264 20 0 FGADHM O=C(Nc1nnc(-c2ccco2)[n-]1)c1cc(F)c(F)cc1Br ZINC000158864210 495603232 /nfs/dbraw/zinc/60/32/32/495603232.db2.gz KMDBZQKCRBFCHD-UHFFFAOYSA-N -1 3 369.125 3.358 20 0 FGADHM O=C(Nc1nc(-c2ccco2)n[n-]1)c1cc(F)c(F)cc1Br ZINC000158864210 495603237 /nfs/dbraw/zinc/60/32/37/495603237.db2.gz KMDBZQKCRBFCHD-UHFFFAOYSA-N -1 3 369.125 3.358 20 0 FGADHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1cc(F)c(F)cc1Br ZINC000158864210 495603239 /nfs/dbraw/zinc/60/32/39/495603239.db2.gz KMDBZQKCRBFCHD-UHFFFAOYSA-N -1 3 369.125 3.358 20 0 FGADHM CCOC(=O)c1c(C)csc1[N-]C(=O)c1csc(-c2cnccn2)n1 ZINC000170839743 495621836 /nfs/dbraw/zinc/62/18/36/495621836.db2.gz BGDIKFWQEJUGEZ-UHFFFAOYSA-N -1 3 374.447 3.399 20 0 FGADHM CN(Cc1ccco1)Cc1ccccc1CNC(=O)c1ccc(O)cc1[O-] ZINC000179515310 495623638 /nfs/dbraw/zinc/62/36/38/495623638.db2.gz YAAVEHLESPYMOA-UHFFFAOYSA-N -1 3 366.417 3.253 20 0 FGADHM COC(=O)CCc1csc([N-]C(=O)c2cc(-c3ccc(C)cc3)no2)n1 ZINC000158972783 495627864 /nfs/dbraw/zinc/62/78/64/495627864.db2.gz LFGKRLKFHJVIJW-UHFFFAOYSA-N -1 3 371.418 3.464 20 0 FGADHM C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)NCc1ccc([O-])c(F)c1 ZINC000176389696 495633197 /nfs/dbraw/zinc/63/31/97/495633197.db2.gz RKMSNLDJERFMCY-YDBLSZJJSA-N -1 3 364.442 3.171 20 0 FGADHM CCN1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1c([O-])cccc1F ZINC000185614793 495645530 /nfs/dbraw/zinc/64/55/30/495645530.db2.gz OYAFYSCLBMJLOS-MRXNPFEDSA-N -1 3 372.440 3.364 20 0 FGADHM CC(C)(N)c1nocc1C(=O)[N-]c1nnc(C(C)(C)c2ccccc2)s1 ZINC000574531903 505794704 /nfs/dbraw/zinc/79/47/04/505794704.db2.gz VYWUVWZNNPWNQL-UHFFFAOYSA-N -1 3 371.466 3.298 20 0 FGADHM O=C(c1ccc2c(c1)C(=O)[N-]C2=O)N1CCC[C@@H]1Cc1ccccc1Cl ZINC000170904046 495648679 /nfs/dbraw/zinc/64/86/79/495648679.db2.gz IPBPQQYAYKADBK-CQSZACIVSA-N -1 3 368.820 3.071 20 0 FGADHM COC(=O)c1cccc(C(=O)Nc2cc(Br)ccc2[O-])c1 ZINC000176432852 495649547 /nfs/dbraw/zinc/64/95/47/495649547.db2.gz MSJSWUBLXGSKMF-UHFFFAOYSA-N -1 3 350.168 3.194 20 0 FGADHM COc1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1CCC[C@@H](F)C1 ZINC000568861090 505795515 /nfs/dbraw/zinc/79/55/15/505795515.db2.gz WPPZHAXZRLNCJF-GHMZBOCLSA-N -1 3 366.252 3.017 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N2C[C@H](C)O[C@@H](c3ccsc3)C2)c1 ZINC000150873244 495664115 /nfs/dbraw/zinc/66/41/15/495664115.db2.gz DLBJHLOYZMBZQM-APPDUMDISA-N -1 3 360.435 3.014 20 0 FGADHM O=C(c1ccc2c(c1[O-])CCCC2)N1CCC(CN2CCCCC2=O)CC1 ZINC000182709357 495672364 /nfs/dbraw/zinc/67/23/64/495672364.db2.gz OYCCFHMGAOJIBK-UHFFFAOYSA-N -1 3 370.493 3.136 20 0 FGADHM O=C(CNC(=O)c1ccc(C(F)(F)F)cc1)Nc1ccc(Cl)cc1[O-] ZINC000179641174 495673324 /nfs/dbraw/zinc/67/33/24/495673324.db2.gz LCIGJYOLWUOWCQ-UHFFFAOYSA-N -1 3 372.730 3.433 20 0 FGADHM CCCOc1ccc(CCC(=O)Nc2nnc(-c3ccccn3)[n-]2)cc1 ZINC000173750917 495675987 /nfs/dbraw/zinc/67/59/87/495675987.db2.gz AAWVFPJLYXCOTH-UHFFFAOYSA-N -1 3 351.410 3.227 20 0 FGADHM CCCOc1ccc(CCC(=O)Nc2nc(-c3ccccn3)n[n-]2)cc1 ZINC000173750917 495675991 /nfs/dbraw/zinc/67/59/91/495675991.db2.gz AAWVFPJLYXCOTH-UHFFFAOYSA-N -1 3 351.410 3.227 20 0 FGADHM CCCOc1ccc(CCC(=O)Nc2n[n-]c(-c3ccccn3)n2)cc1 ZINC000173750917 495675993 /nfs/dbraw/zinc/67/59/93/495675993.db2.gz AAWVFPJLYXCOTH-UHFFFAOYSA-N -1 3 351.410 3.227 20 0 FGADHM COc1cccc([C@H](Cc2cc(C)cc(C)c2)NC(=O)c2c[n-]nn2)c1 ZINC000150910982 495678638 /nfs/dbraw/zinc/67/86/38/495678638.db2.gz PTUDBCSVDZQWPA-SFHVURJKSA-N -1 3 350.422 3.144 20 0 FGADHM COc1cccc([C@H](Cc2cc(C)cc(C)c2)NC(=O)c2cnn[n-]2)c1 ZINC000150910982 495678642 /nfs/dbraw/zinc/67/86/42/495678642.db2.gz PTUDBCSVDZQWPA-SFHVURJKSA-N -1 3 350.422 3.144 20 0 FGADHM COc1cccc([C@H](Cc2cc(C)cc(C)c2)NC(=O)c2cn[n-]n2)c1 ZINC000150910982 495678645 /nfs/dbraw/zinc/67/86/45/495678645.db2.gz PTUDBCSVDZQWPA-SFHVURJKSA-N -1 3 350.422 3.144 20 0 FGADHM COc1ccc2c(c1)[C@@H](Nc1ccc(OC)c([N-]S(C)(=O)=O)c1)CC2 ZINC000182732341 495680405 /nfs/dbraw/zinc/68/04/05/495680405.db2.gz CZQQLAMWEISZGD-INIZCTEOSA-N -1 3 362.451 3.175 20 0 FGADHM C[C@]1(C(=O)[O-])CCCN(Cc2nc3ccc(Br)cc3[nH]2)C1 ZINC000568871604 505797368 /nfs/dbraw/zinc/79/73/68/505797368.db2.gz GCUKHSAMLVOECR-HNNXBMFYSA-N -1 3 352.232 3.012 20 0 FGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@H]2C[C@@]2(C)C(C)C)cc1OC ZINC000185705514 495689062 /nfs/dbraw/zinc/68/90/62/495689062.db2.gz IVKPCIQYSWJBGL-DYVFJYSZSA-N -1 3 354.472 3.078 20 0 FGADHM Cc1ccc([O-])c(C(=O)N2CCc3c(ncn3CCc3ccccc3)C2)c1 ZINC000179700744 495695871 /nfs/dbraw/zinc/69/58/71/495695871.db2.gz RGTVAYVZKQHQEK-UHFFFAOYSA-N -1 3 361.445 3.338 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)CCOc3cccc(C)c3)[n-]c21 ZINC000159266805 495697628 /nfs/dbraw/zinc/69/76/28/495697628.db2.gz ZVIKAXZQROQERV-UHFFFAOYSA-N -1 3 353.378 3.066 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)CCOc3cccc(C)c3)nc21 ZINC000159266805 495697633 /nfs/dbraw/zinc/69/76/33/495697633.db2.gz ZVIKAXZQROQERV-UHFFFAOYSA-N -1 3 353.378 3.066 20 0 FGADHM CCc1cnc(C[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)s1 ZINC000173811323 495703440 /nfs/dbraw/zinc/70/34/40/495703440.db2.gz NNBDPMDTLYPLHY-UHFFFAOYSA-N -1 3 351.280 3.491 20 0 FGADHM CCOC(=O)c1sc2[n-]c([C@H](C)N3CCC(C)(C)C3)nc(=O)c2c1C ZINC000173813190 495703681 /nfs/dbraw/zinc/70/36/81/495703681.db2.gz JTAXDXJYBIWISR-NSHDSACASA-N -1 3 363.483 3.263 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(N(C)Cc3cccc(N(C)C)c3)nc2)n1 ZINC000154714553 495704046 /nfs/dbraw/zinc/70/40/46/495704046.db2.gz LCVIYXNEJBCFAA-UHFFFAOYSA-N -1 3 363.465 3.097 20 0 FGADHM Cn1ccnc1-c1cc(NC(=O)C2(Cc3cccc(F)c3)CCC2)n[n-]1 ZINC000185799154 495728850 /nfs/dbraw/zinc/72/88/50/495728850.db2.gz SIQQHRNJYPTLAP-UHFFFAOYSA-N -1 3 353.401 3.301 20 0 FGADHM Cn1ccnc1-c1cc(NC(=O)C2(Cc3cccc(F)c3)CCC2)[n-]n1 ZINC000185799154 495728857 /nfs/dbraw/zinc/72/88/57/495728857.db2.gz SIQQHRNJYPTLAP-UHFFFAOYSA-N -1 3 353.401 3.301 20 0 FGADHM O=S(=O)([N-]CCN1CCCCC1)c1c(Cl)cccc1C(F)(F)F ZINC000151069683 495729392 /nfs/dbraw/zinc/72/93/92/495729392.db2.gz CTEWBORJODTLLN-UHFFFAOYSA-N -1 3 370.824 3.123 20 0 FGADHM COCCS(=O)(=O)[N-]c1ccc(Br)c(Cl)c1Cl ZINC000185831478 495742114 /nfs/dbraw/zinc/74/21/14/495742114.db2.gz HWIUOPWPUDVRCK-UHFFFAOYSA-N -1 3 363.060 3.144 20 0 FGADHM O=C([N-]c1nc2ccccn2n1)c1cnc(Cc2ccccc2F)s1 ZINC000185855915 495751588 /nfs/dbraw/zinc/75/15/88/495751588.db2.gz PNAVGLHWUGTHHC-UHFFFAOYSA-N -1 3 353.382 3.168 20 0 FGADHM CC[C@@H](C)n1ncc([N-]S(=O)(=O)CCc2ccc3c(c2)CCO3)c1C ZINC000568888716 505801497 /nfs/dbraw/zinc/80/14/97/505801497.db2.gz BIZOJTYGSZKOEX-CYBMUJFWSA-N -1 3 363.483 3.082 20 0 FGADHM Cc1ccc([N-]S(=O)(=O)c2cc3c(cc2Cl)OCCO3)c(F)c1 ZINC000171179926 495757971 /nfs/dbraw/zinc/75/79/71/495757971.db2.gz YCTVWZQEUHRPSU-UHFFFAOYSA-N -1 3 357.790 3.360 20 0 FGADHM O=C(c1cc(F)cc2[n-]nnc21)N1CCC[C@H](Oc2ccccc2Cl)C1 ZINC000577838494 505802162 /nfs/dbraw/zinc/80/21/62/505802162.db2.gz WUSNTBRBBDCJLF-LBPRGKRZSA-N -1 3 374.803 3.434 20 0 FGADHM O=C(c1cc(F)cc2nn[n-]c21)N1CCC[C@H](Oc2ccccc2Cl)C1 ZINC000577838494 505802164 /nfs/dbraw/zinc/80/21/64/505802164.db2.gz WUSNTBRBBDCJLF-LBPRGKRZSA-N -1 3 374.803 3.434 20 0 FGADHM O=C(c1cc(F)cc2n[n-]nc21)N1CCC[C@H](Oc2ccccc2Cl)C1 ZINC000577838494 505802166 /nfs/dbraw/zinc/80/21/66/505802166.db2.gz WUSNTBRBBDCJLF-LBPRGKRZSA-N -1 3 374.803 3.434 20 0 FGADHM CC(C)c1nnc(NC(=O)CCC(=O)N2CCCc3cccc([O-])c32)s1 ZINC000182944491 495769533 /nfs/dbraw/zinc/76/95/33/495769533.db2.gz NNXWQBXKLOARFB-UHFFFAOYSA-N -1 3 374.466 3.065 20 0 FGADHM O=C(Cc1cccc2ccccc21)NCC(=O)N1CCCc2cccc([O-])c21 ZINC000182945265 495769793 /nfs/dbraw/zinc/76/97/93/495769793.db2.gz XWNQDBVINQNIED-UHFFFAOYSA-N -1 3 374.440 3.184 20 0 FGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)[C@@H]2CSc3ccccc32)c1 ZINC000173979932 495774160 /nfs/dbraw/zinc/77/41/60/495774160.db2.gz VJZPTDBUUMSNEX-CYBMUJFWSA-N -1 3 362.476 3.195 20 0 FGADHM Cc1ccc(F)cc1CN1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000179897582 495774390 /nfs/dbraw/zinc/77/43/90/495774390.db2.gz COEBGOOYEORTDK-UHFFFAOYSA-N -1 3 368.499 3.139 20 0 FGADHM Cc1cccc(C(=O)Nc2cc(-c3ccccc3C)nn2CCO)c1[O-] ZINC000171231697 495779938 /nfs/dbraw/zinc/77/99/38/495779938.db2.gz KODXYGNFIOSXDC-UHFFFAOYSA-N -1 3 351.406 3.117 20 0 FGADHM O=C(Cc1ccc([O-])cc1Cl)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000182972900 495781501 /nfs/dbraw/zinc/78/15/01/495781501.db2.gz WJFZHQZWOCKDLU-CXAGYDPISA-N -1 3 367.779 3.201 20 0 FGADHM O=C(Cc1cc(F)ccc1F)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000151241465 495781611 /nfs/dbraw/zinc/78/16/11/495781611.db2.gz BRSGFDOERXNVTG-UHFFFAOYSA-N -1 3 374.387 3.090 20 0 FGADHM C[C@@H]1CCC[C@H](OCC(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)C1 ZINC000151238992 495781745 /nfs/dbraw/zinc/78/17/45/495781745.db2.gz WIEHNZRESOOSQZ-WBVHZDCISA-N -1 3 374.481 3.165 20 0 FGADHM O=C(N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)c1cccc([O-])c1 ZINC000183002365 495794313 /nfs/dbraw/zinc/79/43/13/495794313.db2.gz ZDZUKMZFKCASRX-HNNXBMFYSA-N -1 3 365.216 3.234 20 0 FGADHM O=C(N=c1cc2ccccn2[n-]1)[C@H]1CCn2c(cnc2C2CCCCC2)C1 ZINC000577848018 505803935 /nfs/dbraw/zinc/80/39/35/505803935.db2.gz SQZWGKLDJQYFIL-INIZCTEOSA-N -1 3 363.465 3.202 20 0 FGADHM COc1cccc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3cccc(C)c3)n2)c1 ZINC000174032852 495795772 /nfs/dbraw/zinc/79/57/72/495795772.db2.gz RZVSEZXPSBBEBX-CYBMUJFWSA-N -1 3 373.434 3.093 20 0 FGADHM COc1cccc(-c2noc([C@@H](C)[N-]S(=O)(=O)[C@H](C)CC(C)C)n2)c1 ZINC000174033871 495796682 /nfs/dbraw/zinc/79/66/82/495796682.db2.gz XBIMFONCZHXLBO-CHWSQXEVSA-N -1 3 367.471 3.160 20 0 FGADHM COc1cccc(-c2noc([C@H](C)[N-]S(=O)(=O)c3ccc(C)cc3)n2)c1 ZINC000174034031 495796778 /nfs/dbraw/zinc/79/67/78/495796778.db2.gz GDMSXMDLJAOOPW-ZDUSSCGKSA-N -1 3 373.434 3.093 20 0 FGADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCC(=O)N3)cc1 ZINC000171267957 495797201 /nfs/dbraw/zinc/79/72/01/495797201.db2.gz VNIZVODVVUEFIM-UHFFFAOYSA-N -1 3 360.435 3.161 20 0 FGADHM COc1cc(Br)c(S(=O)(=O)[N-][C@H](C)C2CC2)cc1Cl ZINC000176820368 495799455 /nfs/dbraw/zinc/79/94/55/495799455.db2.gz HWDIMNFPNMNJCX-SSDOTTSWSA-N -1 3 368.680 3.188 20 0 FGADHM CCC[C@H](C)CS(=O)(=O)[N-][C@@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000174043973 495800879 /nfs/dbraw/zinc/80/08/79/495800879.db2.gz ZYEPJWWKJUHCEO-RYUDHWBXSA-N -1 3 355.435 3.292 20 0 FGADHM Cc1c(C(=O)[N-]c2nc(Sc3ccccc3)ns2)nnn1C(C)C ZINC000571746798 505805055 /nfs/dbraw/zinc/80/50/55/505805055.db2.gz OCGKIAXPEUPZML-UHFFFAOYSA-N -1 3 360.468 3.422 20 0 FGADHM C[C@H]1Oc2ccccc2[C@H]1[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC000568927640 505809352 /nfs/dbraw/zinc/80/93/52/505809352.db2.gz LCKGZPWIHWHLKQ-BMIGLBTASA-N -1 3 373.352 3.386 20 0 FGADHM O=C([O-])[C@H](c1cccc(Br)c1)N1CCOC[C@@H](C2CCC2)C1 ZINC000577856610 505806139 /nfs/dbraw/zinc/80/61/39/505806139.db2.gz DCNZMWOFSYCMMG-HOCLYGCPSA-N -1 3 368.271 3.323 20 0 FGADHM Cn1cnnc1[C@@H]1CCCN1C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000180032279 495831152 /nfs/dbraw/zinc/83/11/52/495831152.db2.gz AZPLBUURNNTYSA-KRWDZBQOSA-N -1 3 364.405 3.290 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)c[nH]c2=O)cc1Cl ZINC000180068688 495844140 /nfs/dbraw/zinc/84/41/40/495844140.db2.gz XUVGREWJSVULLJ-UHFFFAOYSA-N -1 3 366.748 3.156 20 0 FGADHM CCCN1CCN(C(=O)c2cc(F)cc3[n-]nnc32)c2ccc(F)cc21 ZINC000574585805 505807487 /nfs/dbraw/zinc/80/74/87/505807487.db2.gz UYILDFZHJADGST-UHFFFAOYSA-N -1 3 357.364 3.113 20 0 FGADHM CCCN1CCN(C(=O)c2cc(F)cc3nn[n-]c32)c2ccc(F)cc21 ZINC000574585805 505807490 /nfs/dbraw/zinc/80/74/90/505807490.db2.gz UYILDFZHJADGST-UHFFFAOYSA-N -1 3 357.364 3.113 20 0 FGADHM CCCN1CCN(C(=O)c2cc(F)cc3n[n-]nc32)c2ccc(F)cc21 ZINC000574585805 505807495 /nfs/dbraw/zinc/80/74/95/505807495.db2.gz UYILDFZHJADGST-UHFFFAOYSA-N -1 3 357.364 3.113 20 0 FGADHM COc1ccc(CC[N-]S(=O)(=O)c2cc(F)ccc2Cl)cc1F ZINC000171427132 495868979 /nfs/dbraw/zinc/86/89/79/495868979.db2.gz HKIDNTWHPAFPHK-UHFFFAOYSA-N -1 3 361.797 3.148 20 0 FGADHM O=C(NCc1ccc([O-])c(Br)c1)c1cc(Br)c[nH]1 ZINC000151531117 495869423 /nfs/dbraw/zinc/86/94/23/495869423.db2.gz JCEIUKGTFMHTCP-UHFFFAOYSA-N -1 3 374.032 3.175 20 0 FGADHM CC[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000186168631 495881601 /nfs/dbraw/zinc/88/16/01/495881601.db2.gz JKWCZAOJCJMZQB-GXTWGEPZSA-N -1 3 361.891 3.365 20 0 FGADHM C[C@@H](CC(=O)Nc1nnc(-c2ccccn2)[n-]1)C(=O)c1ccc(Cl)cc1 ZINC000180153570 495882387 /nfs/dbraw/zinc/88/23/87/495882387.db2.gz GSQZJLCGCCTFNF-NSHDSACASA-N -1 3 369.812 3.368 20 0 FGADHM C[C@@H](CC(=O)Nc1nc(-c2ccccn2)n[n-]1)C(=O)c1ccc(Cl)cc1 ZINC000180153570 495882389 /nfs/dbraw/zinc/88/23/89/495882389.db2.gz GSQZJLCGCCTFNF-NSHDSACASA-N -1 3 369.812 3.368 20 0 FGADHM C[C@@H](CC(=O)Nc1n[n-]c(-c2ccccn2)n1)C(=O)c1ccc(Cl)cc1 ZINC000180153570 495882394 /nfs/dbraw/zinc/88/23/94/495882394.db2.gz GSQZJLCGCCTFNF-NSHDSACASA-N -1 3 369.812 3.368 20 0 FGADHM O=C(c1ccc2c(c1[O-])CCCC2)N1CCC[C@H](c2nncn2C2CC2)C1 ZINC000186181025 495887088 /nfs/dbraw/zinc/88/70/88/495887088.db2.gz MEQICLFIMQCIHN-HNNXBMFYSA-N -1 3 366.465 3.217 20 0 FGADHM O=C(CCC(=O)c1cccs1)NCc1ccc([O-])c(Br)c1 ZINC000151616151 495894735 /nfs/dbraw/zinc/89/47/35/495894735.db2.gz VJUIQCBGHIXABL-UHFFFAOYSA-N -1 3 368.252 3.496 20 0 FGADHM Cc1ccc([O-])c(CNc2cccc(F)c2Cn2cccc(C)c2=O)n1 ZINC000568928047 505810542 /nfs/dbraw/zinc/81/05/42/505810542.db2.gz LHPOOBVZFILMBQ-UHFFFAOYSA-N -1 3 353.397 3.365 20 0 FGADHM CCOCCCN(Cc1ccccc1Br)C[C@@H](C)C(=O)[O-] ZINC000577878294 505810570 /nfs/dbraw/zinc/81/05/70/505810570.db2.gz BSEDGMCRIZZOBI-CYBMUJFWSA-N -1 3 358.276 3.398 20 0 FGADHM C[C@H]1CCN(C(=O)c2ccc3c(c2)NC(=O)CCN3C)c2c([O-])cccc21 ZINC000186271692 495922917 /nfs/dbraw/zinc/92/29/17/495922917.db2.gz CHHFTAQSARZKHL-ZDUSSCGKSA-N -1 3 365.433 3.325 20 0 FGADHM COC(=O)c1cc(C)nc2nc(S[C@@H](C)c3cccc(F)c3)[n-]c(=O)c21 ZINC000171553957 495924808 /nfs/dbraw/zinc/92/48/08/495924808.db2.gz WHSPXBYFGYGQBZ-JTQLQIEISA-N -1 3 373.409 3.406 20 0 FGADHM O=C(NCC1(c2ccc(F)cc2Cl)CC1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000571773625 505812407 /nfs/dbraw/zinc/81/24/07/505812407.db2.gz BGWGMXCANAOIKY-UHFFFAOYSA-N -1 3 361.804 3.314 20 0 FGADHM C[C@H]1CCN(C(=O)c2ccc(CS(C)(=O)=O)cc2)c2c([O-])cccc21 ZINC000186334811 495953621 /nfs/dbraw/zinc/95/36/21/495953621.db2.gz FLEIDEKHEJDOSG-ZDUSSCGKSA-N -1 3 359.447 3.091 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)c2ccc3c(c2)CCC(=O)N3)c(F)c1 ZINC000171630445 495956214 /nfs/dbraw/zinc/95/62/14/495956214.db2.gz QMSHPELVNWWHRM-LBPRGKRZSA-N -1 3 362.426 3.058 20 0 FGADHM Cc1nc(C)c(CC(=O)N[C@@H]2CC[C@H](c3cccc(Cl)c3)C2)c(=O)[n-]1 ZINC000574615938 505815218 /nfs/dbraw/zinc/81/52/18/505815218.db2.gz MRXJNZPPJXYBHY-GOEBONIOSA-N -1 3 359.857 3.447 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C=Cc3ccc(O)cc3)c2)n1 ZINC000183421890 495975257 /nfs/dbraw/zinc/97/52/57/495975257.db2.gz WEQPVDIQWXSJGN-DHZHZOJOSA-N -1 3 361.401 3.357 20 0 FGADHM O=S(=O)([N-]C1(CF)CCC1)c1ccc(Cl)c(Br)c1 ZINC000571793787 505816871 /nfs/dbraw/zinc/81/68/71/505816871.db2.gz CJGLWVVCVRGOFI-UHFFFAOYSA-N -1 3 356.644 3.273 20 0 FGADHM CCO[C@H](C)c1nc(CN(C)C(=O)c2cccc(OC)c2[O-])cs1 ZINC000174549142 496004546 /nfs/dbraw/zinc/00/45/46/496004546.db2.gz ZHIMSYZQZNFWOS-LLVKDONJSA-N -1 3 350.440 3.227 20 0 FGADHM CC(=O)NC[C@@H]1CCCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC000177402295 496049483 /nfs/dbraw/zinc/04/94/83/496049483.db2.gz VMRQYMUZGAQAAD-INIZCTEOSA-N -1 3 368.433 3.173 20 0 FGADHM O=C(c1cccc([O-])c1)N1CCN(Cc2coc(-c3cccs3)n2)CC1 ZINC000174671016 496053972 /nfs/dbraw/zinc/05/39/72/496053972.db2.gz BVPGZIQANZQDFG-UHFFFAOYSA-N -1 3 369.446 3.067 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N[C@@H]3CCCC[C@@H]3n3cccn3)c[n-]c12 ZINC000155754843 496057529 /nfs/dbraw/zinc/05/75/29/496057529.db2.gz YXTVPVCFGGQENK-SJORKVTESA-N -1 3 368.412 3.086 20 0 FGADHM CC(C)c1nnc(CCC(=O)[N-]OCc2ccc(C(F)(F)F)cc2)o1 ZINC000155765188 496060484 /nfs/dbraw/zinc/06/04/84/496060484.db2.gz HEWNJBUKDUTDLS-UHFFFAOYSA-N -1 3 357.332 3.392 20 0 FGADHM O=C(Nc1ccccc1[O-])C1CCN(C[C@@H](O)c2cccc(Cl)c2)CC1 ZINC000174694284 496065218 /nfs/dbraw/zinc/06/52/18/496065218.db2.gz VCSGQGZVWLPKQG-LJQANCHMSA-N -1 3 374.868 3.430 20 0 FGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)[C@H]1COc2cc(C)c(C)cc21 ZINC000186657214 496093467 /nfs/dbraw/zinc/09/34/67/496093467.db2.gz GDCPZUIEOYQRRM-ZDUSSCGKSA-N -1 3 358.394 3.145 20 0 FGADHM CC(C)n1c(SCC(=O)Nc2ccccc2[O-])nc2ccccc2c1=O ZINC000180675813 496099267 /nfs/dbraw/zinc/09/92/67/496099267.db2.gz GJRLDPFHVRNFFY-UHFFFAOYSA-N -1 3 369.446 3.414 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]C[C@@H]2CCCS2)c(Cl)c1Cl ZINC000152303885 496110984 /nfs/dbraw/zinc/11/09/84/496110984.db2.gz XESDSJDJEFVEIZ-QMMMGPOBSA-N -1 3 356.296 3.176 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1cc(C(F)(F)F)ccc1F ZINC000152311844 496112757 /nfs/dbraw/zinc/11/27/57/496112757.db2.gz UUTFOIDMGQFJCN-UHFFFAOYSA-N -1 3 351.263 3.277 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cc(C(F)(F)F)ccc1F ZINC000152311844 496112766 /nfs/dbraw/zinc/11/27/66/496112766.db2.gz UUTFOIDMGQFJCN-UHFFFAOYSA-N -1 3 351.263 3.277 20 0 FGADHM O=S(=O)([N-][C@@H]1CCO[C@H](C2CC2)C1)c1cccc(Cl)c1Cl ZINC000183809832 496123609 /nfs/dbraw/zinc/12/36/09/496123609.db2.gz YEGOQUNDDNKJMF-PWSUYJOCSA-N -1 3 350.267 3.229 20 0 FGADHM CC(C)(C)C(=O)Nc1nc(CC(=O)Nc2cc(F)ccc2[O-])cs1 ZINC000174872553 496142689 /nfs/dbraw/zinc/14/26/89/496142689.db2.gz BGVLFVLLXBVXQT-UHFFFAOYSA-N -1 3 351.403 3.154 20 0 FGADHM O=C(c1cccc([O-])c1)N1CCN(Cc2csc(-c3ccoc3)n2)CC1 ZINC000177642596 496143632 /nfs/dbraw/zinc/14/36/32/496143632.db2.gz 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O=S(=O)([N-]C[C@H](CCO)c1ccccc1)c1cc(Cl)cc(Cl)c1 ZINC000177732508 496175847 /nfs/dbraw/zinc/17/58/47/496175847.db2.gz GKUFRBLQGXEQEJ-ZDUSSCGKSA-N -1 3 374.289 3.438 20 0 FGADHM CCC[C@H](NC(=O)[C@H](C)S(=O)(=O)c1cccc([O-])c1)c1ccccc1 ZINC000183986333 496189073 /nfs/dbraw/zinc/18/90/73/496189073.db2.gz INCTTZVJNUTJGZ-KSSFIOAISA-N -1 3 361.463 3.212 20 0 FGADHM COc1ccc(N[C@H]2CCc3ccc(F)cc32)cc1[N-]S(C)(=O)=O ZINC000174987971 496195536 /nfs/dbraw/zinc/19/55/36/496195536.db2.gz VZROMUOIHPYZGN-HNNXBMFYSA-N -1 3 350.415 3.305 20 0 FGADHM O=C(Cn1cc(-c2ccccc2)nn1)Nc1cc(Br)ccc1[O-] ZINC000161575226 496200332 /nfs/dbraw/zinc/20/03/32/496200332.db2.gz DLWRQMNUHOAPIL-UHFFFAOYSA-N -1 3 373.210 3.052 20 0 FGADHM CCOC(=O)c1cc(NC(=O)CCCc2nc3ccccc3s2)n[n-]1 ZINC000180932025 496204645 /nfs/dbraw/zinc/20/46/45/496204645.db2.gz IABDMSMOIPFIHI-UHFFFAOYSA-N -1 3 358.423 3.158 20 0 FGADHM CCOC(=O)c1cc(NC(=O)CCCc2nc3ccccc3s2)[n-]n1 ZINC000180932025 496204654 /nfs/dbraw/zinc/20/46/54/496204654.db2.gz IABDMSMOIPFIHI-UHFFFAOYSA-N -1 3 358.423 3.158 20 0 FGADHM COC(=O)c1ccc(-c2nc(C[S@@](=O)c3cccc([O-])c3)co2)cc1 ZINC000184032108 496210858 /nfs/dbraw/zinc/21/08/58/496210858.db2.gz QWXPIXDMTXDGBN-RUZDIDTESA-N -1 3 357.387 3.142 20 0 FGADHM C[C@@H](C(=O)Nc1ccccc1Br)[S@](=O)c1cccc([O-])c1 ZINC000184035857 496212564 /nfs/dbraw/zinc/21/25/64/496212564.db2.gz ZSNAGEHHLFFLJH-CWKPULSASA-N -1 3 368.252 3.290 20 0 FGADHM NC(=O)c1ccccc1Oc1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000175026479 496215526 /nfs/dbraw/zinc/21/55/26/496215526.db2.gz NZBJSZVHUXMSSQ-UHFFFAOYSA-N -1 3 368.414 3.379 20 0 FGADHM COc1cccc(C(=O)N[C@@H](C)c2c(C)nn(CC(F)(F)F)c2C)c1[O-] ZINC000180982777 496229006 /nfs/dbraw/zinc/22/90/06/496229006.db2.gz IFOKQNYNTKBSHK-VIFPVBQESA-N -1 3 371.359 3.267 20 0 FGADHM C[C@H](NC(=O)NCc1ccc([O-])c(F)c1)c1ccc(NC(=O)C2CC2)cc1 ZINC000156452426 496248802 /nfs/dbraw/zinc/24/88/02/496248802.db2.gz PWFILJRTZBXUDM-LBPRGKRZSA-N -1 3 371.412 3.440 20 0 FGADHM 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FXDWORXGJGGDAL-UHFFFAOYSA-N -1 3 365.739 3.238 20 0 FGADHM O=C([N-]OCCC(F)(F)F)Nc1ccc(Cl)c(C(=O)NC2CC2)c1 ZINC000156614224 496292765 /nfs/dbraw/zinc/29/27/65/496292765.db2.gz FXDWORXGJGGDAL-UHFFFAOYSA-N -1 3 365.739 3.238 20 0 FGADHM COc1ccc(Br)c(S(=O)(=O)[N-]C[C@H]2CC=CCC2)c1 ZINC000175243253 496305424 /nfs/dbraw/zinc/30/54/24/496305424.db2.gz MXFPRYMRSGYEFZ-NSHDSACASA-N -1 3 360.273 3.092 20 0 FGADHM O=S(=O)(Cc1ccc(Cl)cc1Cl)[N-][C@H](CCO)c1ccco1 ZINC000184265646 496310335 /nfs/dbraw/zinc/31/03/35/496310335.db2.gz VHFWWMXNDAYBAP-CYBMUJFWSA-N -1 3 364.250 3.130 20 0 FGADHM C[C@H](CSc1ccc(F)cc1)C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000153048864 496336764 /nfs/dbraw/zinc/33/67/64/496336764.db2.gz NUSLVCYHAVUALE-GFCCVEGCSA-N -1 3 371.441 3.050 20 0 FGADHM C[C@H](CSc1ccc(F)cc1)C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000153048864 496336770 /nfs/dbraw/zinc/33/67/70/496336770.db2.gz NUSLVCYHAVUALE-GFCCVEGCSA-N -1 3 371.441 3.050 20 0 FGADHM COc1ccc(-n2ccc(CNC(=O)Cc3ccc([O-])cc3Cl)n2)cc1 ZINC000178124641 496338496 /nfs/dbraw/zinc/33/84/96/496338496.db2.gz NPLUXJGMYBFFFA-UHFFFAOYSA-N -1 3 371.824 3.099 20 0 FGADHM COCc1cc(C[N-]S(=O)(=O)c2cc(F)c(C)cc2F)ccc1F ZINC000178129925 496342277 /nfs/dbraw/zinc/34/22/77/496342277.db2.gz BCJDNFDOCCKIAG-UHFFFAOYSA-N -1 3 359.369 3.037 20 0 FGADHM CC[C@@H]1CCCCCN1C(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000172577490 496347775 /nfs/dbraw/zinc/34/77/75/496347775.db2.gz KFLMCDGTQMIVLV-QGZVFWFLSA-N -1 3 368.481 3.254 20 0 FGADHM Cc1ccc(-c2cc(C(=O)Nc3ccc(O[C@H]4CCOC4)cc3)n[n-]2)o1 ZINC000172592357 496355898 /nfs/dbraw/zinc/35/58/98/496355898.db2.gz SLPDIPRKMNOANY-HNNXBMFYSA-N -1 3 353.378 3.398 20 0 FGADHM Cc1ccc(-c2cc(C(=O)Nc3ccc(O[C@H]4CCOC4)cc3)[n-]n2)o1 ZINC000172592357 496355903 /nfs/dbraw/zinc/35/59/03/496355903.db2.gz SLPDIPRKMNOANY-HNNXBMFYSA-N -1 3 353.378 3.398 20 0 FGADHM CCC(C)(C)NC(=O)c1ccc(NC(=O)c2cccc3nn[n-]c32)cc1 ZINC000187268156 496369049 /nfs/dbraw/zinc/36/90/49/496369049.db2.gz VKOOIKQZJYXBCY-UHFFFAOYSA-N -1 3 351.410 3.129 20 0 FGADHM CCC(C)(C)NC(=O)c1ccc(NC(=O)c2cccc3[n-]nnc32)cc1 ZINC000187268156 496369055 /nfs/dbraw/zinc/36/90/55/496369055.db2.gz VKOOIKQZJYXBCY-UHFFFAOYSA-N -1 3 351.410 3.129 20 0 FGADHM CCC(C)(C)NC(=O)c1ccc(NC(=O)c2cccc3n[n-]nc32)cc1 ZINC000187268156 496369059 /nfs/dbraw/zinc/36/90/59/496369059.db2.gz VKOOIKQZJYXBCY-UHFFFAOYSA-N -1 3 351.410 3.129 20 0 FGADHM CCN(Cc1c(F)cccc1F)C(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000162639136 496387387 /nfs/dbraw/zinc/38/73/87/496387387.db2.gz ATNJFESUUGQTAQ-UHFFFAOYSA-N -1 3 351.349 3.350 20 0 FGADHM Cn1cnnc1[N-]C(=O)c1sc(-c2ccco2)nc1-c1ccccc1 ZINC000157045108 496393808 /nfs/dbraw/zinc/39/38/08/496393808.db2.gz GGNAFAUZSHHOII-UHFFFAOYSA-N -1 3 351.391 3.451 20 0 FGADHM O=C(Nc1nnc(-c2ccccn2)[n-]1)c1cc(Cl)cc2cccnc21 ZINC000175471600 496405519 /nfs/dbraw/zinc/40/55/19/496405519.db2.gz CJZVIDRRZQOPTK-UHFFFAOYSA-N -1 3 350.769 3.321 20 0 FGADHM O=C(Nc1nc(-c2ccccn2)n[n-]1)c1cc(Cl)cc2cccnc21 ZINC000175471600 496405526 /nfs/dbraw/zinc/40/55/26/496405526.db2.gz CJZVIDRRZQOPTK-UHFFFAOYSA-N -1 3 350.769 3.321 20 0 FGADHM O=C(Nc1n[n-]c(-c2ccccn2)n1)c1cc(Cl)cc2cccnc21 ZINC000175471600 496405531 /nfs/dbraw/zinc/40/55/31/496405531.db2.gz CJZVIDRRZQOPTK-UHFFFAOYSA-N -1 3 350.769 3.321 20 0 FGADHM CCC1(C[N-]S(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCOC2)CC1 ZINC000187364837 496411793 /nfs/dbraw/zinc/41/17/93/496411793.db2.gz CACBMJXBKCEFHF-ZDUSSCGKSA-N -1 3 373.902 3.224 20 0 FGADHM Cc1cc(C)c2[n-]cc(C(=O)Nc3ccnn3C[C@@H]3CCOC3)c(=O)c2c1 ZINC000162777713 496412133 /nfs/dbraw/zinc/41/21/33/496412133.db2.gz ALFFLBNIJWPIAS-AWEZNQCLSA-N -1 3 366.421 3.043 20 0 FGADHM CC(=O)N[C@@H](CC(=O)Nc1cc(F)ccc1[O-])c1ccc(F)cc1F ZINC000178326266 496413335 /nfs/dbraw/zinc/41/33/35/496413335.db2.gz LPQDVVXHCWTPRB-AWEZNQCLSA-N -1 3 352.312 3.016 20 0 FGADHM CC(C)(C)c1ncsc1C(=O)[N-]c1cc(S(C)(=O)=O)ccc1F ZINC000175491214 496413840 /nfs/dbraw/zinc/41/38/40/496413840.db2.gz MLIWMYCYYWGDSA-UHFFFAOYSA-N -1 3 356.444 3.236 20 0 FGADHM CCOC(=O)CC[C@@H](C)NC(=O)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000187387921 496420881 /nfs/dbraw/zinc/42/08/81/496420881.db2.gz FCZDHIQEUKKQAL-SECBINFHSA-N -1 3 355.847 3.253 20 0 FGADHM O=C(Nc1ccccc1[O-])C1CCN(C(=O)c2csc(C3CC3)n2)CC1 ZINC000178347206 496423025 /nfs/dbraw/zinc/42/30/25/496423025.db2.gz MGWQCYQLGGUFMQ-UHFFFAOYSA-N -1 3 371.462 3.217 20 0 FGADHM CC[C@H]1CN(c2ccccc2)CCN1C(=O)NCc1ccc([O-])c(F)c1 ZINC000184528344 496424488 /nfs/dbraw/zinc/42/44/88/496424488.db2.gz FTZSGPZOIFJPGO-INIZCTEOSA-N -1 3 357.429 3.342 20 0 FGADHM O=C(Nc1nnc(-c2ccccn2)[n-]1)[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000184533947 496427853 /nfs/dbraw/zinc/42/78/53/496427853.db2.gz RFYROUHTTLAQAJ-ZJUUUORDSA-N -1 3 359.311 3.026 20 0 FGADHM O=C(Nc1nc(-c2ccccn2)n[n-]1)[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000184533947 496427858 /nfs/dbraw/zinc/42/78/58/496427858.db2.gz RFYROUHTTLAQAJ-ZJUUUORDSA-N -1 3 359.311 3.026 20 0 FGADHM O=C(Nc1n[n-]c(-c2ccccn2)n1)[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000184533947 496427861 /nfs/dbraw/zinc/42/78/61/496427861.db2.gz 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O=C([C@H](O)Cc1cccc(C(F)(F)F)c1)N1CCCc2cccc([O-])c21 ZINC000187452487 496447697 /nfs/dbraw/zinc/44/76/97/496447697.db2.gz LSUVYNKUCCHDCN-MRXNPFEDSA-N -1 3 365.351 3.294 20 0 FGADHM CC1(C)[C@H]([N-]S(=O)(=O)c2cccc(Cl)c2Cl)[C@@H]2CCO[C@@H]21 ZINC000153422079 496450657 /nfs/dbraw/zinc/45/06/57/496450657.db2.gz KWUYTYKZRYEYQK-CKLFPEKLSA-N -1 3 350.267 3.085 20 0 FGADHM CCn1c2ccccc2nc1[C@H](C)NC(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000163040600 496454872 /nfs/dbraw/zinc/45/48/72/496454872.db2.gz BXAIJFLZFAPZRG-LBPRGKRZSA-N -1 3 369.421 3.270 20 0 FGADHM O=S(=O)([N-][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)c1ccc(F)cc1F ZINC000181590674 496459919 /nfs/dbraw/zinc/45/99/19/496459919.db2.gz FMHFGASQGWIFJR-GDBMZVCRSA-N -1 3 373.808 3.427 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-][C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000181598899 496463321 /nfs/dbraw/zinc/46/33/21/496463321.db2.gz JCRUSSASBYIPIU-OCCSQVGLSA-N -1 3 373.883 3.219 20 0 FGADHM C[C@@H](c1ccc(NC(=O)[N-]OCCC(F)(F)F)cc1)N1CCOCC1 ZINC000157381601 496466488 /nfs/dbraw/zinc/46/64/88/496466488.db2.gz QURRABXKFDAHQG-LBPRGKRZSA-N -1 3 361.364 3.085 20 0 FGADHM CC[C@H](CSC)[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000181609922 496469607 /nfs/dbraw/zinc/46/96/07/496469607.db2.gz KWZJCRGJOYYRLI-SECBINFHSA-N -1 3 356.282 3.008 20 0 FGADHM Cc1cnc([C@H](C)[N-]S(=O)(=O)c2cc3c(c(Cl)c2)O[C@H](C)C3)s1 ZINC000175623045 496469869 /nfs/dbraw/zinc/46/98/69/496469869.db2.gz WYVCIMCQIMSDDP-SCZZXKLOSA-N -1 3 372.899 3.468 20 0 FGADHM O=C(NCCOCc1ccc(Cl)cc1)c1c[n-]c2ccccc2c1=O ZINC000163130395 496470693 /nfs/dbraw/zinc/47/06/93/496470693.db2.gz ASOXMAVHBJODRD-UHFFFAOYSA-N -1 3 356.809 3.128 20 0 FGADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@@H]1CC=CCC1 ZINC000178548327 496494824 /nfs/dbraw/zinc/49/48/24/496494824.db2.gz NMOKLKHCJXLBEM-LLVKDONJSA-N -1 3 351.449 3.075 20 0 FGADHM COc1cccc(Cc2nnc([N-]C(=O)c3nc(C)sc3C)s2)c1 ZINC000178548702 496495251 /nfs/dbraw/zinc/49/52/51/496495251.db2.gz XWPORUHNLPJKBK-UHFFFAOYSA-N -1 3 360.464 3.463 20 0 FGADHM O=C(Nc1ccccc1[O-])[C@@H]1CCCN(C(=O)Nc2ccccc2F)C1 ZINC000157526382 496495563 /nfs/dbraw/zinc/49/55/63/496495563.db2.gz KSEFMJPYFBGOSM-CYBMUJFWSA-N -1 3 357.385 3.414 20 0 FGADHM O=C(c1ccc([O-])cc1)N1CCN(CCSc2ccc(F)cc2)CC1 ZINC000157527631 496496389 /nfs/dbraw/zinc/49/63/89/496496389.db2.gz GNLZGMJTBAMNHZ-UHFFFAOYSA-N -1 3 360.454 3.081 20 0 FGADHM CC1(C)Cc2ccc(C(=O)N3CCO[C@H](c4ccsc4)C3)c([O-])c2O1 ZINC000163392927 496509158 /nfs/dbraw/zinc/50/91/58/496509158.db2.gz JRHMXIKVBSUKOW-HNNXBMFYSA-N -1 3 359.447 3.381 20 0 FGADHM [O-]c1ccc(CCCc2nc(Cc3ccc4c(c3)OCO4)no2)cc1F ZINC000578047624 505849814 /nfs/dbraw/zinc/84/98/14/505849814.db2.gz MBUAWFQPRDPOIV-UHFFFAOYSA-N -1 3 356.353 3.409 20 0 FGADHM Cc1ncccc1C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000175766609 496536247 /nfs/dbraw/zinc/53/62/47/496536247.db2.gz YPMAXOPFYJFDLL-UHFFFAOYSA-N -1 3 373.840 3.240 20 0 FGADHM C[C@@H](C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1)C1CC1 ZINC000175769252 496537486 /nfs/dbraw/zinc/53/74/86/496537486.db2.gz 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O=C(NCc1ccc([O-])c(F)c1)N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000163741101 496553559 /nfs/dbraw/zinc/55/35/59/496553559.db2.gz NRVNQBJXWYKNSY-OAHLLOKOSA-N -1 3 374.387 3.475 20 0 FGADHM CCN(CC)C(=O)[C@@H]1CCCN1C(=O)c1c[n-]c2c(C)cc(C)cc2c1=O ZINC000163773269 496556545 /nfs/dbraw/zinc/55/65/45/496556545.db2.gz BWZRCQZKIPBYLZ-KRWDZBQOSA-N -1 3 369.465 3.030 20 0 FGADHM O=C(Nc1cc(C(F)(F)F)ccc1[O-])c1cn(Cc2cccs2)nn1 ZINC000175820568 496558900 /nfs/dbraw/zinc/55/89/00/496558900.db2.gz KSPFAAWENXBVIV-UHFFFAOYSA-N -1 3 368.340 3.365 20 0 FGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)c2ccc3nc(C)ccc3c2)c1 ZINC000163809868 496560812 /nfs/dbraw/zinc/56/08/12/496560812.db2.gz QSGIAIDJGJKXKB-UHFFFAOYSA-N -1 3 369.446 3.475 20 0 FGADHM CC[C@@H](CSC)[N-]S(=O)(=O)c1cc(C)c(Br)s1 ZINC000163825296 496561654 /nfs/dbraw/zinc/56/16/54/496561654.db2.gz DPVANALXZBLNIW-QMMMGPOBSA-N -1 3 358.348 3.239 20 0 FGADHM C[C@H](Oc1ccccc1)C(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000178777098 496567300 /nfs/dbraw/zinc/56/73/00/496567300.db2.gz GNGJVVIZOVDFLR-HNNXBMFYSA-N -1 3 368.433 3.037 20 0 FGADHM COc1ccccc1NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000153774772 496575576 /nfs/dbraw/zinc/57/55/76/496575576.db2.gz WJENRAHMASPQJP-UHFFFAOYSA-N -1 3 351.200 3.485 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H](Nc3ccccc3)C2)c1 ZINC000163999391 496577696 /nfs/dbraw/zinc/57/76/96/496577696.db2.gz XZQZBKANCTZBTO-QGZVFWFLSA-N -1 3 353.422 3.067 20 0 FGADHM CCC(C)(C)NC(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000175891720 496590762 /nfs/dbraw/zinc/59/07/62/496590762.db2.gz MJXSNHXCKLVVOB-UHFFFAOYSA-N -1 3 359.467 3.213 20 0 FGADHM Cc1nc(C[N-]S(=O)(=O)Cc2ccccc2C(F)(F)F)sc1C ZINC000173229226 496603561 /nfs/dbraw/zinc/60/35/61/496603561.db2.gz GVFAIDDUGCHZNF-UHFFFAOYSA-N -1 3 364.414 3.398 20 0 FGADHM CC(C)(CNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])C1CCCC1 ZINC000157997118 496604038 /nfs/dbraw/zinc/60/40/38/496604038.db2.gz NUNWRUVQSGZDEZ-KRWDZBQOSA-N -1 3 358.482 3.329 20 0 FGADHM Cc1cc(C)n(-c2ccc([C@H](C)NC(=O)c3ccc4n[n-]nc4c3)cc2)n1 ZINC000175941501 496610353 /nfs/dbraw/zinc/61/03/53/496610353.db2.gz VCFPAZVUOPGGSV-AWEZNQCLSA-N -1 3 360.421 3.251 20 0 FGADHM CS[C@H](C)C[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000158019039 496610515 /nfs/dbraw/zinc/61/05/15/496610515.db2.gz BMBIOLRVMDVHQC-SSDOTTSWSA-N -1 3 358.710 3.132 20 0 FGADHM Cc1nc(C)c(CCC(=O)Nc2nc(Cc3ccccc3)cs2)c(=O)[n-]1 ZINC000181987390 496624338 /nfs/dbraw/zinc/62/43/38/496624338.db2.gz FOKDYWSFZFIXAD-UHFFFAOYSA-N -1 3 368.462 3.005 20 0 FGADHM C[C@@H](O)[C@H]1CCCN(C(=O)c2cc(OCc3ccccc3)ccc2[O-])C1 ZINC000153932424 496628584 /nfs/dbraw/zinc/62/85/84/496628584.db2.gz FRDWIEJSICTKCS-WBVHZDCISA-N -1 3 355.434 3.204 20 0 FGADHM O=C(N[C@H](CCO)c1ccco1)c1cc(OCc2ccccc2)ccc1[O-] ZINC000187962594 496633134 /nfs/dbraw/zinc/63/31/34/496633134.db2.gz XUBQLTCKUHIPDT-GOSISDBHSA-N -1 3 367.401 3.418 20 0 FGADHM CCC[C@@H]([NH2+][C@H](C)c1nc(=O)c2c3c(sc2[n-]1)C[C@H](C)CC3)C(=O)[O-] ZINC000185057646 496640708 /nfs/dbraw/zinc/64/07/08/496640708.db2.gz VNEYRFLUWCLCMZ-CKYFFXLPSA-N -1 3 363.483 3.013 20 0 FGADHM CCOC[C@@H]1CCN(C(=O)c2ccc(C(=O)c3cccc([O-])c3)cc2)C1 ZINC000188018664 496652664 /nfs/dbraw/zinc/65/26/64/496652664.db2.gz RGEFDNRRMHCACI-OAHLLOKOSA-N -1 3 353.418 3.122 20 0 FGADHM Cc1c([C@H]2CCCN2C(=O)c2c[n-]c3c(C)cccc3c2=O)cnn1C ZINC000165443902 496658782 /nfs/dbraw/zinc/65/87/82/496658782.db2.gz LHTXGMSLQGYZST-QGZVFWFLSA-N -1 3 350.422 3.268 20 0 FGADHM O=C(Nc1cccc([O-])c1F)c1cn(-c2cccc(Cl)c2F)nn1 ZINC000182079185 496661038 /nfs/dbraw/zinc/66/10/38/496661038.db2.gz MORCFUGCSKPMHV-UHFFFAOYSA-N -1 3 350.712 3.157 20 0 FGADHM CSc1ccsc1C(=O)[N-]c1cc(S(=O)(=O)N(C)C)ccc1F ZINC000154111204 496686656 /nfs/dbraw/zinc/68/66/56/496686656.db2.gz NYMNSOUZAYGWTR-UHFFFAOYSA-N -1 3 374.484 3.112 20 0 FGADHM O=C([O-])c1ccc(CN2CCC[C@H]3COCC[C@@H]32)c(Br)c1 ZINC000569130779 505859871 /nfs/dbraw/zinc/85/98/71/505859871.db2.gz YIZGHMFRFPYZSY-ZFWWWQNUSA-N -1 3 354.244 3.148 20 0 FGADHM COC(=O)c1cc(S(=O)(=O)[N-][C@H](C)c2cc3ccccc3o2)c(C)o1 ZINC000166919764 496695173 /nfs/dbraw/zinc/69/51/73/496695173.db2.gz SNJFJHHININRBM-SNVBAGLBSA-N -1 3 363.391 3.160 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)Cc3c[nH]c4ccc(F)cc34)[n-]c21 ZINC000158414570 496697092 /nfs/dbraw/zinc/69/70/92/496697092.db2.gz JIRXQGRHQMLWNZ-UHFFFAOYSA-N -1 3 366.352 3.151 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)Cc3c[nH]c4ccc(F)cc34)nc21 ZINC000158414570 496697097 /nfs/dbraw/zinc/69/70/97/496697097.db2.gz JIRXQGRHQMLWNZ-UHFFFAOYSA-N -1 3 366.352 3.151 20 0 FGADHM C[C@H](C(=O)NCCCNC(=O)c1cccc([O-])c1)c1ccc(Cl)s1 ZINC000176147111 496703946 /nfs/dbraw/zinc/70/39/46/496703946.db2.gz HUIMBXGYQXAYCB-NSHDSACASA-N -1 3 366.870 3.147 20 0 FGADHM Cc1cccc(NC(=O)[C@H]2CSCN2C(=O)c2cccc([O-])c2)c1C ZINC000182338759 496730361 /nfs/dbraw/zinc/73/03/61/496730361.db2.gz UCULOYJNXHMISD-QGZVFWFLSA-N -1 3 356.447 3.163 20 0 FGADHM COc1cccc(C(=O)N2CCC(C(=O)c3ccc(F)cc3)CC2)c1[O-] ZINC000194937738 496767545 /nfs/dbraw/zinc/76/75/45/496767545.db2.gz IZTHDJVTQYLKGV-UHFFFAOYSA-N -1 3 357.381 3.275 20 0 FGADHM O=S(=O)([N-]CC1CCOCC1)c1cc(C(F)(F)F)ccc1Cl ZINC000195013401 496790186 /nfs/dbraw/zinc/79/01/86/496790186.db2.gz JGZRTOWLEQFQFL-UHFFFAOYSA-N -1 3 357.781 3.064 20 0 FGADHM CC(C)c1nnc2n1CCN(Cc1cc([O-])ccc1Br)[C@H]2C ZINC000188458420 496797364 /nfs/dbraw/zinc/79/73/64/496797364.db2.gz KMPLJSFKMAPCJK-NSHDSACASA-N -1 3 365.275 3.446 20 0 FGADHM Cc1cc(Br)cc(S(=O)(=O)[N-]c2c(F)cccc2CO)c1 ZINC000188484680 496805071 /nfs/dbraw/zinc/80/50/71/496805071.db2.gz VJCHCYGUQJHRHF-UHFFFAOYSA-N -1 3 374.231 3.190 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)NCc3ccc([C@@H](C)O)c(C)n3)c[n-]c12 ZINC000273447937 496809439 /nfs/dbraw/zinc/80/94/39/496809439.db2.gz HBNQYSUTLATYJB-GFCCVEGCSA-N -1 3 369.396 3.075 20 0 FGADHM CCn1cc([C@@H](C)NCc2cc(Br)c([O-])c(OC)c2)cn1 ZINC000268870385 496810593 /nfs/dbraw/zinc/81/05/93/496810593.db2.gz UHGFTBHYBBDMDU-SNVBAGLBSA-N -1 3 354.248 3.231 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CCc3cscn3)c2)n1 ZINC000195066804 496811868 /nfs/dbraw/zinc/81/18/68/496811868.db2.gz SMIPUNWVAFOUEM-UHFFFAOYSA-N -1 3 354.435 3.027 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CC[C@H](C)C[C@H]2C)c1 ZINC000273470621 496814970 /nfs/dbraw/zinc/81/49/70/496814970.db2.gz XMZRDQDBEIAQFF-NWDGAFQWSA-N -1 3 357.410 3.202 20 0 FGADHM COc1cccc(C(=O)N2CCc3cc(Br)ccc3C2)c1[O-] ZINC000191593210 496824818 /nfs/dbraw/zinc/82/48/18/496824818.db2.gz GPRZGEWXRCJMGX-UHFFFAOYSA-N -1 3 362.223 3.362 20 0 FGADHM CCN(CC)[C@H](C[N-]S(=O)(=O)c1ccco1)c1ccccc1Cl ZINC000188570729 496835204 /nfs/dbraw/zinc/83/52/04/496835204.db2.gz YMNWXJYYKDCDJS-OAHLLOKOSA-N -1 3 356.875 3.294 20 0 FGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]C[C@H]3CC[C@@H](C)O3)s2)cs1 ZINC000572012455 505870103 /nfs/dbraw/zinc/87/01/03/505870103.db2.gz DDOSSZAJLHKULR-MWLCHTKSSA-N -1 3 358.510 3.026 20 0 FGADHM CCOC(C)(C)C[N-]S(=O)(=O)c1cc(Cl)c(OC)cc1Cl ZINC000188640613 496862230 /nfs/dbraw/zinc/86/22/30/496862230.db2.gz 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/nfs/dbraw/zinc/95/04/01/505950401.db2.gz ONADGEGQKPDFSL-DOTOQJQBSA-N -1 3 371.412 3.191 20 0 FGADHM CS(=O)(=O)[N-]c1ccc(-c2noc([C@@H]3CCCCC3(F)F)n2)cc1 ZINC000296158344 497938333 /nfs/dbraw/zinc/93/83/33/497938333.db2.gz XBPCDQSYBWHBFQ-LBPRGKRZSA-N -1 3 357.382 3.401 20 0 FGADHM C[C@@H](NCc1cc(=O)oc2cc([O-])ccc12)[C@@H]1OCCc2sccc21 ZINC000292278942 497951142 /nfs/dbraw/zinc/95/11/42/497951142.db2.gz BPLHNRNBPIWNDF-WYRIXSBYSA-N -1 3 357.431 3.352 20 0 FGADHM CCc1ccc(C(=O)N2CCCN(C(=O)CC3CCCC3)CC2)c([O-])c1 ZINC000364455726 497966265 /nfs/dbraw/zinc/96/62/65/497966265.db2.gz QIZJEMFXEOTJQY-UHFFFAOYSA-N -1 3 358.482 3.209 20 0 FGADHM COc1ccc(-c2nc(Sc3cc(Cl)nc(C)n3)n[n-]2)c(OC)c1 ZINC000301140635 497970120 /nfs/dbraw/zinc/97/01/20/497970120.db2.gz FIPLHKKHYUNYSF-UHFFFAOYSA-N -1 3 363.830 3.392 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@H](O)c3ccccc3C)nc2)n1 ZINC000301231385 498011364 /nfs/dbraw/zinc/01/13/64/498011364.db2.gz JPWPWYJATOYJBY-KRWDZBQOSA-N -1 3 350.422 3.261 20 0 FGADHM CS(=O)(=O)[N-]c1cncc(-c2nc(C(C3CCC3)C3CCC3)no2)c1 ZINC000349790115 498012800 /nfs/dbraw/zinc/01/28/00/498012800.db2.gz ZPRJVPWEIIYPAH-UHFFFAOYSA-N -1 3 362.455 3.187 20 0 FGADHM Cc1nsc(NC2CC2)c1C(=O)[N-]c1nnc(-c2ccccn2)s1 ZINC000292443057 498017849 /nfs/dbraw/zinc/01/78/49/498017849.db2.gz HWYSSSFXICADKN-UHFFFAOYSA-N -1 3 358.452 3.192 20 0 FGADHM CC(C)[C@H](c1nc(-c2ccc([N-]S(C)(=O)=O)cc2)no1)c1cccnc1 ZINC000349952725 498026413 /nfs/dbraw/zinc/02/64/13/498026413.db2.gz WGTBFJHDGGRNGL-INIZCTEOSA-N -1 3 372.450 3.291 20 0 FGADHM O=C1[N-]C(=O)N2CCN(Cc3nc(-c4ccccc4Cl)cs3)C[C@@H]12 ZINC000330135269 498033630 /nfs/dbraw/zinc/03/36/30/498033630.db2.gz HDWHXWGHMJHRDD-ZDUSSCGKSA-N -1 3 362.842 3.040 20 0 FGADHM O=C([N-]OCc1ccc(F)cc1Br)[C@H]1C[C@@H]1c1cccnc1 ZINC000364592864 498039810 /nfs/dbraw/zinc/03/98/10/498039810.db2.gz UKWKNDWNLSQHIV-KGLIPLIRSA-N -1 3 365.202 3.335 20 0 FGADHM Cc1cc2occ(CC(=O)N3CCN4C(=O)[N-]C(=O)[C@H]4C3)c2cc1C(C)C ZINC000330150030 498040023 /nfs/dbraw/zinc/04/00/23/498040023.db2.gz VLNCLOSFYBRLJC-MRXNPFEDSA-N -1 3 369.421 3.010 20 0 FGADHM C[C@H](CC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)c1cccc(F)c1 ZINC000281193617 498049804 /nfs/dbraw/zinc/04/98/04/498049804.db2.gz AADGWAIWBSQYOY-GFCCVEGCSA-N -1 3 374.378 3.236 20 0 FGADHM O=S(=O)([N-][C@H]1CCOC2(CCC2)C1)c1cc(C(F)(F)F)ccc1F ZINC000330177204 498050131 /nfs/dbraw/zinc/05/01/31/498050131.db2.gz KMWFFOSSPFOAFW-NSHDSACASA-N -1 3 367.364 3.225 20 0 FGADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(c2nnc(C(F)F)o2)CC1 ZINC000292551621 498057589 /nfs/dbraw/zinc/05/75/89/498057589.db2.gz RMSMMUPXVMAMKM-UHFFFAOYSA-N -1 3 372.759 3.221 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@](C)(O)c3cccs3)nc2)n1 ZINC000301330754 498059249 /nfs/dbraw/zinc/05/92/49/498059249.db2.gz ATFCKLMFNWBACW-SFHVURJKSA-N -1 3 356.451 3.188 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@H](O)CCc3ccccc3)nc2)n1 ZINC000364633946 498060675 /nfs/dbraw/zinc/06/06/75/498060675.db2.gz OLKPEFPIUGQRCX-GOSISDBHSA-N -1 3 364.449 3.212 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@@H](O)CCc3ccccc3)nc2)n1 ZINC000364633948 498060957 /nfs/dbraw/zinc/06/09/57/498060957.db2.gz OLKPEFPIUGQRCX-SFHVURJKSA-N -1 3 364.449 3.212 20 0 FGADHM O=C(c1ccc(C(=O)N2CCO[C@H]3CCC[C@@H]32)cc1)c1cccc([O-])c1 ZINC000364643040 498065103 /nfs/dbraw/zinc/06/51/03/498065103.db2.gz DLCQXRJAZUYBIG-OALUTQOASA-N -1 3 351.402 3.017 20 0 FGADHM O=C(NCCCNc1nc(-c2ccccc2)ns1)c1cccc([O-])c1 ZINC000301391360 498089690 /nfs/dbraw/zinc/08/96/90/498089690.db2.gz AXKGEZVCHMGTNK-UHFFFAOYSA-N -1 3 354.435 3.143 20 0 FGADHM CNC(=O)c1cc(Oc2cc(NC(=O)[N-]OCC3CC3)ccc2C)ccn1 ZINC000292678008 498106012 /nfs/dbraw/zinc/10/60/12/498106012.db2.gz JKLBICNFSCNYQP-UHFFFAOYSA-N -1 3 370.409 3.005 20 0 FGADHM COc1cc(-c2noc([C@@H]3CC(=O)N(C)[C@H]3c3cccs3)n2)ccc1[O-] ZINC000350579274 498119203 /nfs/dbraw/zinc/11/92/03/498119203.db2.gz NYIBZGCZZJBBPC-BDJLRTHQSA-N -1 3 371.418 3.199 20 0 FGADHM CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000330486622 498140791 /nfs/dbraw/zinc/14/07/91/498140791.db2.gz DCDFIHWUWRQUDR-ZANVPECISA-N -1 3 356.875 3.240 20 0 FGADHM CCC(CC)[C@H](C)C(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000330539374 498149771 /nfs/dbraw/zinc/14/97/71/498149771.db2.gz XFCYHCDQQDCAEV-ZDUSSCGKSA-N -1 3 372.556 3.090 20 0 FGADHM O=C([O-])c1sc2cccc(F)c2c1CN1CCS[C@@H]2COCC[C@H]21 ZINC000581434583 505987916 /nfs/dbraw/zinc/98/79/16/505987916.db2.gz FJUPSCNBHSJUSD-TZMCWYRMSA-N -1 3 367.467 3.445 20 0 FGADHM CC(C)[C@H]1C[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2Cl)CCO1 ZINC000330621602 498161803 /nfs/dbraw/zinc/16/18/03/498161803.db2.gz BPPSVQRCSZUOHN-ZWNOBZJWSA-N -1 3 352.283 3.475 20 0 FGADHM Cc1cccc(C)c1NC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000289490880 498167947 /nfs/dbraw/zinc/16/79/47/498167947.db2.gz KYTFZTWBCZBVOI-ZDUSSCGKSA-N -1 3 357.376 3.226 20 0 FGADHM O=C(c1ccc([O-])cc1)N1CCN(c2ncnc3c4ccccc4oc32)CC1 ZINC000301580804 498172918 /nfs/dbraw/zinc/17/29/18/498172918.db2.gz SNLVHTCXBAACND-UHFFFAOYSA-N -1 3 374.400 3.044 20 0 FGADHM Cc1ncc(S(=O)(=O)[N-][C@@H](c2ccc(Cl)cc2)[C@@H]2CCOC2)s1 ZINC000364858474 498177250 /nfs/dbraw/zinc/17/72/50/498177250.db2.gz GRGMEFLCUMYOBJ-DOMZBBRYSA-N -1 3 372.899 3.161 20 0 FGADHM Cc1noc(C)c1C(C)(C)C(=O)Nc1nnc(-c2c(F)cccc2F)[n-]1 ZINC000281521559 498179137 /nfs/dbraw/zinc/17/91/37/498179137.db2.gz KUBIUDONTDRTMK-UHFFFAOYSA-N -1 3 361.352 3.271 20 0 FGADHM Cc1noc(C)c1C(C)(C)C(=O)Nc1nc(-c2c(F)cccc2F)n[n-]1 ZINC000281521559 498179141 /nfs/dbraw/zinc/17/91/41/498179141.db2.gz KUBIUDONTDRTMK-UHFFFAOYSA-N -1 3 361.352 3.271 20 0 FGADHM Cc1noc(C)c1C(C)(C)C(=O)Nc1n[n-]c(-c2c(F)cccc2F)n1 ZINC000281521559 498179145 /nfs/dbraw/zinc/17/91/45/498179145.db2.gz KUBIUDONTDRTMK-UHFFFAOYSA-N -1 3 361.352 3.271 20 0 FGADHM COCC(C)(C)Cc1nc(Cc2nc(=O)c3c(C4CC4)csc3[n-]2)no1 ZINC000351203370 498195466 /nfs/dbraw/zinc/19/54/66/498195466.db2.gz QEECLIOKIJXXDG-UHFFFAOYSA-N -1 3 374.466 3.463 20 0 FGADHM CCc1cccc(S(=O)(=O)[N-][C@H](c2nccs2)C(F)(F)F)c1 ZINC000292928770 498200020 /nfs/dbraw/zinc/20/00/20/498200020.db2.gz YRVCRGKHHQXYRY-LLVKDONJSA-N -1 3 350.387 3.287 20 0 FGADHM COc1cc2c(cc1OC)CCN([C@H](C(=O)[O-])c1ccc(F)cc1)CC2 ZINC000581493772 506000922 /nfs/dbraw/zinc/00/09/22/506000922.db2.gz INGHTFAISRPESD-IBGZPJMESA-N -1 3 359.397 3.069 20 0 FGADHM CCCc1nc(C)c(CNC(=O)Cc2ccc(Br)cc2[O-])o1 ZINC000581506388 506003651 /nfs/dbraw/zinc/00/36/51/506003651.db2.gz HEOUYDGNNKPGNA-UHFFFAOYSA-N -1 3 367.243 3.263 20 0 FGADHM Cc1ccc([C@H]2C[C@H](C)N(C(=O)c3ccc([N-]S(C)(=O)=O)cc3)C2)cc1 ZINC000331101606 498252490 /nfs/dbraw/zinc/25/24/90/498252490.db2.gz DETCNCYGVZYKDM-YJBOKZPZSA-N -1 3 372.490 3.385 20 0 FGADHM C[C@@H](CC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)c1ccc(F)cc1 ZINC000281744668 498254996 /nfs/dbraw/zinc/25/49/96/498254996.db2.gz OZMZGKPHNBBHJJ-LBPRGKRZSA-N -1 3 374.378 3.236 20 0 FGADHM CCc1noc(C)c1CNCc1cc(Br)c([O-])c(OC)c1 ZINC000293115304 498272665 /nfs/dbraw/zinc/27/26/65/498272665.db2.gz YTUMBLDOXBMKDV-UHFFFAOYSA-N -1 3 355.232 3.312 20 0 FGADHM O=C(c1ccccc1[O-])N1CCCC[C@H]1c1nnc(CC(F)(F)F)o1 ZINC000289757731 498278902 /nfs/dbraw/zinc/27/89/02/498278902.db2.gz PDGGVWSUOLRNDJ-NSHDSACASA-N -1 3 355.316 3.247 20 0 FGADHM Cc1ccc2c(ncc(C(=O)[O-])c2N2C[C@@H](C)O[C@]3(CCCOC3)C2)c1C ZINC000572606238 506010121 /nfs/dbraw/zinc/01/01/21/506010121.db2.gz KIDYQDJBHJRLEN-SPLOXXLWSA-N -1 3 370.449 3.324 20 0 FGADHM CCc1nc(C(C)(C)[N-]S(=O)(=O)c2c(C)c(C)cc(C)c2C)no1 ZINC000331267456 498289165 /nfs/dbraw/zinc/28/91/65/498289165.db2.gz IPGFSURGHKVEQD-UHFFFAOYSA-N -1 3 351.472 3.079 20 0 FGADHM CCS[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cnccc2C(F)(F)F)C1 ZINC000331288225 498293649 /nfs/dbraw/zinc/29/36/49/498293649.db2.gz VDRHVZQDPFEQGR-WDEREUQCSA-N -1 3 368.446 3.443 20 0 FGADHM CCS[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cnccc2C(F)(F)F)C1 ZINC000331288224 498293852 /nfs/dbraw/zinc/29/38/52/498293852.db2.gz VDRHVZQDPFEQGR-QWRGUYRKSA-N -1 3 368.446 3.443 20 0 FGADHM C[C@@H](CN(C)C(=O)c1ccc2c(c1[O-])OC(C)(C)C2)C(=O)OC(C)(C)C ZINC000331362156 498308370 /nfs/dbraw/zinc/30/83/70/498308370.db2.gz ZXFQLRWEIADGNK-LBPRGKRZSA-N -1 3 363.454 3.156 20 0 FGADHM CCC(CC)C(=O)N1CCC(NC(=O)c2cc([O-])ccc2Cl)CC1 ZINC000289940753 498361524 /nfs/dbraw/zinc/36/15/24/498361524.db2.gz WWWJNCIUXIAKGB-UHFFFAOYSA-N -1 3 352.862 3.203 20 0 FGADHM CC(=O)c1ccc(C(=O)N2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)cc1[O-] ZINC000331531985 498362033 /nfs/dbraw/zinc/36/20/33/498362033.db2.gz KXEOJAQKYLKOML-HXPMCKFVSA-N -1 3 357.381 3.336 20 0 FGADHM COc1ccc([C@@H](CNC(=O)c2cccc(C)c2[O-])N2CCCC2)cc1 ZINC000301998359 498362377 /nfs/dbraw/zinc/36/23/77/498362377.db2.gz KCXGMQGQZVBAFK-LJQANCHMSA-N -1 3 354.450 3.276 20 0 FGADHM C[C@H](CCCNC(=O)OC(C)(C)C)NC(=O)NCc1ccc([O-])c(F)c1 ZINC000297331564 498408129 /nfs/dbraw/zinc/40/81/29/498408129.db2.gz YVJAFXHPCMMXFZ-GFCCVEGCSA-N -1 3 369.437 3.024 20 0 FGADHM CO[C@H](C)CS(=O)(=O)[N-]c1ccc2[nH]c(C3CCCCC3)nc2c1 ZINC000331656769 498411474 /nfs/dbraw/zinc/41/14/74/498411474.db2.gz WWLLRXZZEBHSTM-GFCCVEGCSA-N -1 3 351.472 3.387 20 0 FGADHM CC(C)CC[C@H](C)NC(=O)NC1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000361637478 498413425 /nfs/dbraw/zinc/41/34/25/498413425.db2.gz XZNSAWNEBXZJBK-HNNXBMFYSA-N -1 3 361.486 3.121 20 0 FGADHM COC(=O)CCSc1ncccc1[N-]C(=O)c1oc(C(C)C)nc1C ZINC000293583169 498419303 /nfs/dbraw/zinc/41/93/03/498419303.db2.gz USDCWQURKNNBQV-UHFFFAOYSA-N -1 3 363.439 3.409 20 0 FGADHM Cc1nc(C(C)C)ccc1CN1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000293691272 498456512 /nfs/dbraw/zinc/45/65/12/498456512.db2.gz WJMCDCWQSXRTFT-AWEZNQCLSA-N -1 3 357.420 3.404 20 0 FGADHM C[C@@H](NCc1cccc([O-])c1Cl)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000293733997 498471549 /nfs/dbraw/zinc/47/15/49/498471549.db2.gz ZNNJTSAMAWYTDI-GFCCVEGCSA-N -1 3 368.886 3.147 20 0 FGADHM Cc1cccc(C(=O)N2CC[C@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)c1[O-] ZINC000293739993 498472978 /nfs/dbraw/zinc/47/29/78/498472978.db2.gz RHMIIEGWRMWKEQ-ZBFHGGJFSA-N -1 3 360.454 3.172 20 0 FGADHM Cc1cccc(C(=O)N2CC[C@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)c1[O-] ZINC000293739989 498473060 /nfs/dbraw/zinc/47/30/60/498473060.db2.gz RHMIIEGWRMWKEQ-HOCLYGCPSA-N -1 3 360.454 3.172 20 0 FGADHM O=C([N-]C[C@H]1CCCN(C(=O)c2cccc3ccccc32)C1)C(F)(F)F ZINC000290314047 498504705 /nfs/dbraw/zinc/50/47/05/498504705.db2.gz HONWNYQLFACHKQ-CYBMUJFWSA-N -1 3 364.367 3.371 20 0 FGADHM Cc1ccc([C@@H]2CN(C(=O)c3cc(=O)c4ccccc4[n-]3)CCO2)c(C)c1 ZINC000365524770 498512757 /nfs/dbraw/zinc/51/27/57/498512757.db2.gz FBZZIDROTUVBCI-NRFANRHFSA-N -1 3 362.429 3.359 20 0 FGADHM COc1ccc(CN2CCC[C@@]2(C)CCCO)c(Br)c1[O-] ZINC000290345145 498517152 /nfs/dbraw/zinc/51/71/52/498517152.db2.gz FRCIXVQCHRECFS-INIZCTEOSA-N -1 3 358.276 3.290 20 0 FGADHM Cc1ccc2[n-]cc(C(=O)N3CCC[C@@H]([C@H](O)C(F)(F)F)C3)c(=O)c2c1 ZINC000286815404 498518268 /nfs/dbraw/zinc/51/82/68/498518268.db2.gz LKQWOYLOXGBYBR-BZNIZROVSA-N -1 3 368.355 3.024 20 0 FGADHM CC(C)[C@H](C)NC(=O)[C@H]1CSCN1C(=O)c1cc([O-])c2ccccc2c1 ZINC000331996590 498526859 /nfs/dbraw/zinc/52/68/59/498526859.db2.gz PGAGRKUFUQBENE-SUMWQHHRSA-N -1 3 372.490 3.221 20 0 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/nfs/dbraw/zinc/56/34/97/498563497.db2.gz LXQLTWPEJFBSKP-CJNGLKHVSA-N -1 3 364.854 3.199 20 0 FGADHM COc1ccc(C(=O)N(C)[C@@H](c2ccc(F)cc2)c2ncccn2)c([O-])c1 ZINC000362846245 498563876 /nfs/dbraw/zinc/56/38/76/498563876.db2.gz GXHJLPSNAXPRQW-SFHVURJKSA-N -1 3 367.380 3.192 20 0 FGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)NC[C@H]1CCCC1(C)C ZINC000294054345 498575176 /nfs/dbraw/zinc/57/51/76/498575176.db2.gz GAKXSFUZKRUMDH-MRXNPFEDSA-N -1 3 368.481 3.428 20 0 FGADHM O=C(Cc1ccc(Br)cc1[O-])NC1(C(F)(F)F)CCC1 ZINC000576016640 506056737 /nfs/dbraw/zinc/05/67/37/506056737.db2.gz LHNXFRRAEPLLTD-UHFFFAOYSA-N -1 3 352.150 3.298 20 0 FGADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]Cc1cnc(C2CC2)o1 ZINC000572830658 506062776 /nfs/dbraw/zinc/06/27/76/506062776.db2.gz OFCMNJPRHOJQMP-UHFFFAOYSA-N -1 3 350.371 3.224 20 0 FGADHM O=c1nc(CN[C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)[n-]c2ccsc21 ZINC000297945595 498617320 /nfs/dbraw/zinc/61/73/20/498617320.db2.gz ARKGXAHFHZXBHH-DOMZBBRYSA-N -1 3 363.389 3.295 20 0 FGADHM 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359.451 3.391 20 0 FGADHM CC(C)[C@@H]1C[C@@H](CNC(=O)CNC(=O)c2ccc([O-])cc2)c2ccccc21 ZINC000570128554 506096344 /nfs/dbraw/zinc/09/63/44/506096344.db2.gz DSACKQBGMZEZON-JXFKEZNVSA-N -1 3 366.461 3.165 20 0 FGADHM Cc1ccc(OC2CCN(C(=O)c3cc(F)cc4[n-]nnc43)CC2)cc1C ZINC000328665630 498896188 /nfs/dbraw/zinc/89/61/88/498896188.db2.gz ZIERKZKNFIZDCB-UHFFFAOYSA-N -1 3 368.412 3.397 20 0 FGADHM Cc1ccc(OC2CCN(C(=O)c3cc(F)cc4nn[n-]c43)CC2)cc1C ZINC000328665630 498896192 /nfs/dbraw/zinc/89/61/92/498896192.db2.gz ZIERKZKNFIZDCB-UHFFFAOYSA-N -1 3 368.412 3.397 20 0 FGADHM Cc1ccc(OC2CCN(C(=O)c3cc(F)cc4n[n-]nc43)CC2)cc1C ZINC000328665630 498896194 /nfs/dbraw/zinc/89/61/94/498896194.db2.gz ZIERKZKNFIZDCB-UHFFFAOYSA-N -1 3 368.412 3.397 20 0 FGADHM CN(C(=O)c1ccc2c(c1[O-])CCCC2)[C@H]1CCO[C@@H]1c1cccnc1 ZINC000333107215 498900656 /nfs/dbraw/zinc/90/06/56/498900656.db2.gz WPZFHBDSZLIANQ-AZUAARDMSA-N -1 3 352.434 3.268 20 0 FGADHM CN(C(=O)c1csc(=O)[n-]1)C1CCN(c2ccc(Cl)cc2)CC1 ZINC000366384769 498902742 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CC(C)[C@H](NC(=O)CN1CCCC[C@@H]1CCC(=O)[O-])c1ccc(F)cc1 ZINC000424258723 500476498 /nfs/dbraw/zinc/47/64/98/500476498.db2.gz MAZNDQTXIHGJDJ-XLIONFOSSA-N -1 3 364.461 3.358 20 0 FGADHM O=S(=O)([N-]C1CCSCC1)c1cc(Cl)ccc1OC(F)F ZINC000420662412 500485068 /nfs/dbraw/zinc/48/50/68/500485068.db2.gz JDVOSLJHSFVBMR-UHFFFAOYSA-N -1 3 357.831 3.115 20 0 FGADHM CC[C@H](C[C@@H](C)CO)[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000420667556 500486060 /nfs/dbraw/zinc/48/60/60/500486060.db2.gz IXHYFSVYDMJRDO-MWLCHTKSSA-N -1 3 371.833 3.017 20 0 FGADHM CCO[C@H](CC[N-]S(=O)(=O)c1cc(F)ccc1OC(F)F)C(C)C ZINC000420679704 500487451 /nfs/dbraw/zinc/48/74/51/500487451.db2.gz WOJSXWVYSSRJDV-GFCCVEGCSA-N -1 3 369.405 3.157 20 0 FGADHM O=C(CNC(=O)c1ccc([O-])cc1)N1CC2(CCCC2)[C@H]1c1ccccc1 ZINC000573456661 506198572 /nfs/dbraw/zinc/19/85/72/506198572.db2.gz YOAQSOHVYHIZQF-HXUWFJFHSA-N -1 3 364.445 3.266 20 0 FGADHM C[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc(F)ccc1OC(F)F ZINC000420693564 500488745 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CC(C)(C[N-]S(=O)(=O)c1cc(F)ccc1OC(F)F)c1ccccn1 ZINC000420758576 500495773 /nfs/dbraw/zinc/49/57/73/500495773.db2.gz VOWGQHQDYYNYET-UHFFFAOYSA-N -1 3 374.384 3.078 20 0 FGADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H]1Cc2cccc(O)c2C1 ZINC000428400234 500505468 /nfs/dbraw/zinc/50/54/68/500505468.db2.gz CRPGUXUAYQCQOW-ZDUSSCGKSA-N -1 3 361.394 3.032 20 0 FGADHM COC(=O)c1ccc(C(=O)[N-]c2scc(CC(C)C)c2C(=O)OC)o1 ZINC000432425431 500514774 /nfs/dbraw/zinc/51/47/74/500514774.db2.gz VGCHFMAEFROWDT-UHFFFAOYSA-N -1 3 365.407 3.365 20 0 FGADHM O=C(NCC[C@@H](c1ccccc1)C(F)(F)F)NCc1ncccc1[O-] ZINC000432476226 500520303 /nfs/dbraw/zinc/52/03/03/500520303.db2.gz IERSEPYACGODBC-ZDUSSCGKSA-N -1 3 353.344 3.323 20 0 FGADHM C[C@@H]1C[C@H](CO)CN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)C1 ZINC000420954718 500540627 /nfs/dbraw/zinc/54/06/27/500540627.db2.gz ZUTRUOBKWWHBGJ-NEPJUHHUSA-N -1 3 359.451 3.107 20 0 FGADHM CC(C)(C)[C@H]([N-]S(C)(=O)=O)C(=O)Nc1ccc2c(c1)oc1ccccc12 ZINC000432654745 500544093 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COc1ccc(C(=O)NCCc2ccc(OC)c(OC)c2Cl)c([O-])c1 ZINC000436939495 500574932 /nfs/dbraw/zinc/57/49/32/500574932.db2.gz ZPLHZVNXBSAIQB-UHFFFAOYSA-N -1 3 365.813 3.044 20 0 FGADHM COc1ccc([C@@H](CNC(=O)c2c([O-])cccc2F)N2CCCCC2)cc1 ZINC000436945658 500576267 /nfs/dbraw/zinc/57/62/67/500576267.db2.gz UTYPTANAUQUUPY-GOSISDBHSA-N -1 3 372.440 3.497 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)Nc2ccc(OCC3CC3)cc2)c([O-])c1 ZINC000436950289 500577548 /nfs/dbraw/zinc/57/75/48/500577548.db2.gz BSTVIYSUOJGMHJ-UHFFFAOYSA-N -1 3 368.433 3.248 20 0 FGADHM COC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000436952948 500577611 /nfs/dbraw/zinc/57/76/11/500577611.db2.gz KWWXWVHOKMDNBN-LJQANCHMSA-N -1 3 365.429 3.011 20 0 FGADHM Cn1ccc([C@@H](NC(=O)c2ccc(O)cc2[O-])c2ccc(Cl)cc2)n1 ZINC000436955371 500578425 /nfs/dbraw/zinc/57/84/25/500578425.db2.gz FBWVEPLQQYUOIX-KRWDZBQOSA-N -1 3 357.797 3.004 20 0 FGADHM CCO[C@H](C)c1noc(CN(C)C(=O)c2ccc3c(c2[O-])CCCC3)n1 ZINC000436958668 500579285 /nfs/dbraw/zinc/57/92/85/500579285.db2.gz CNCHFXKRHFCRQU-GFCCVEGCSA-N -1 3 359.426 3.024 20 0 FGADHM Cc1ccccc1[C@@H]1C(=O)NCCN1C(=O)c1ccc(C(C)C)cc1[O-] ZINC000436960107 500579795 /nfs/dbraw/zinc/57/97/95/500579795.db2.gz POMBHLHOYFQRPC-LJQANCHMSA-N -1 3 352.434 3.137 20 0 FGADHM CC[C@@H]1CN(C(=O)c2ccc3c(c2[O-])CCCC3)[C@H](CC)CN1C(C)=O ZINC000436960084 500579975 /nfs/dbraw/zinc/57/99/75/500579975.db2.gz CIFSRVWNGJQENK-IAGOWNOFSA-N -1 3 358.482 3.133 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)NC[C@]2(C)C[C@H]2c2ccccc2)c([O-])c1 ZINC000436967855 500582081 /nfs/dbraw/zinc/58/20/81/500582081.db2.gz ZKSWEWMCJJAOKN-AVRDEDQJSA-N -1 3 366.461 3.131 20 0 FGADHM CCc1ccc(C(=O)Nc2cn(CC)cc(Br)c2=O)c([O-])c1 ZINC000436979806 500585055 /nfs/dbraw/zinc/58/50/55/500585055.db2.gz MTRSNNATLILCNJ-UHFFFAOYSA-N -1 3 365.227 3.151 20 0 FGADHM COC(=O)c1cccc(NC(=O)c2cc([O-])ccc2C(F)(F)F)c1O ZINC000436983291 500586298 /nfs/dbraw/zinc/58/62/98/500586298.db2.gz WMWWMCJCAYQZAP-UHFFFAOYSA-N -1 3 355.268 3.156 20 0 FGADHM CCCCOc1ccc(C(=O)N2CC[C@H](Oc3ccncc3)C2)c([O-])c1 ZINC000436991037 500587921 /nfs/dbraw/zinc/58/79/21/500587921.db2.gz WNJFCJAAMCOTEK-KRWDZBQOSA-N -1 3 356.422 3.260 20 0 FGADHM COCCNc1ccccc1NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436998757 500590576 /nfs/dbraw/zinc/59/05/76/500590576.db2.gz JMYAMEPNFPWSSM-UHFFFAOYSA-N -1 3 356.422 3.416 20 0 FGADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CCC(CO)(c2ccccc2)CC1 ZINC000437007734 500592368 /nfs/dbraw/zinc/59/23/68/500592368.db2.gz WODVRQURKXKZDP-UHFFFAOYSA-N -1 3 365.473 3.437 20 0 FGADHM O=S(=O)(Cc1csc(-c2cccs2)n1)c1nc2c([n-]1)CCC2 ZINC000576650296 506205518 /nfs/dbraw/zinc/20/55/18/506205518.db2.gz FSEXTFLITODSTN-UHFFFAOYSA-N -1 3 351.478 3.057 20 0 FGADHM CCOC(=O)c1c(C(C)C)csc1[N-]C(=O)C(=O)N1CCC=C(C)C1 ZINC000437108104 500602732 /nfs/dbraw/zinc/60/27/32/500602732.db2.gz MEQCHIWZXYEFLW-UHFFFAOYSA-N -1 3 364.467 3.165 20 0 FGADHM Cc1ccc(-c2nc(CS(=O)(=O)c3nnc(C(C)(C)C)[n-]3)co2)cc1 ZINC000447492863 500612304 /nfs/dbraw/zinc/61/23/04/500612304.db2.gz XFNTXSJCDKHBDR-UHFFFAOYSA-N -1 3 360.439 3.040 20 0 FGADHM CC(=O)c1cccc(NC(=O)c2csc(Nc3ccccn3)n2)c1[O-] ZINC000576656698 506206500 /nfs/dbraw/zinc/20/65/00/506206500.db2.gz VVJUMSCTTZZKGY-UHFFFAOYSA-N -1 3 354.391 3.442 20 0 FGADHM Cc1cccc(O[C@@H](C)C[N-]S(=O)(=O)c2cnccc2C(F)(F)F)c1 ZINC000442748038 500619108 /nfs/dbraw/zinc/61/91/08/500619108.db2.gz KABRZWSSNHMUQI-LBPRGKRZSA-N -1 3 374.384 3.155 20 0 FGADHM COc1cccc(C(=O)N[C@@H]2C[C@H]2c2ccc(Br)cc2)c1[O-] ZINC000437277625 500623306 /nfs/dbraw/zinc/62/33/06/500623306.db2.gz QXFNDCQEYDUADP-UONOGXRCSA-N -1 3 362.223 3.449 20 0 FGADHM O=C([N-]c1n[nH]c(-c2ccncc2)n1)c1cc(F)c(C(F)(F)F)cc1F ZINC000433088562 500623876 /nfs/dbraw/zinc/62/38/76/500623876.db2.gz CXDPUFLNNQXFHI-UHFFFAOYSA-N -1 3 369.253 3.416 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1)[C@H]1Oc2ccccc2[C@@H]1C ZINC000437312944 500628877 /nfs/dbraw/zinc/62/88/77/500628877.db2.gz ZCXGBENLDSKZRJ-DINDLPBHSA-N -1 3 353.390 3.196 20 0 FGADHM CC(C)[C@@H](CCO)[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000442839302 500633400 /nfs/dbraw/zinc/63/34/00/500633400.db2.gz SDAGKNNQIKQKID-CYBMUJFWSA-N -1 3 374.915 3.149 20 0 FGADHM Cc1ccc([O-])c(NC(=O)[C@H]2Cc3ccccc3CN2C(=O)CC(C)C)n1 ZINC000447631727 500637535 /nfs/dbraw/zinc/63/75/35/500637535.db2.gz ZGNJCYHKDUKRIV-QGZVFWFLSA-N -1 3 367.449 3.034 20 0 FGADHM COc1cc(C(=O)N(C)[C@H](c2cnn(C)c2)c2cccc(F)c2)ccc1[O-] ZINC000442957220 500653412 /nfs/dbraw/zinc/65/34/12/500653412.db2.gz RSJURLWTEKFWTB-IBGZPJMESA-N -1 3 369.396 3.135 20 0 FGADHM COc1cc(C(=O)NCCc2ccc(Br)cc2)ccc1[O-] ZINC000442960919 500654066 /nfs/dbraw/zinc/65/40/66/500654066.db2.gz APTNHJKTDDTOSD-UHFFFAOYSA-N -1 3 350.212 3.136 20 0 FGADHM COc1cc(C(=O)N[C@H](C)c2nc(-c3ccncc3)cs2)ccc1[O-] ZINC000442983372 500659127 /nfs/dbraw/zinc/65/91/27/500659127.db2.gz OQBPNCXHCDJFIS-LLVKDONJSA-N -1 3 355.419 3.410 20 0 FGADHM COC(=O)c1sccc1S(=O)(=O)[N-]Cc1ccc(C(C)C)cc1 ZINC000443004472 500661475 /nfs/dbraw/zinc/66/14/75/500661475.db2.gz DJEIZYLSCLRNBY-UHFFFAOYSA-N -1 3 353.465 3.137 20 0 FGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@@H](C)Cc1ccc(C)cc1C ZINC000443077638 500676204 /nfs/dbraw/zinc/67/62/04/500676204.db2.gz ZKKQKQLWJDOOCY-ZDUSSCGKSA-N -1 3 367.492 3.061 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]Cc2ccc(OC(F)F)cn2)sc1Cl ZINC000447852033 500678554 /nfs/dbraw/zinc/67/85/54/500678554.db2.gz XKMVRNPWMGZFHE-UHFFFAOYSA-N -1 3 368.814 3.185 20 0 FGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000443100903 500679494 /nfs/dbraw/zinc/67/94/94/500679494.db2.gz GTXFBFANMPXYGO-BFHYXJOUSA-N -1 3 369.458 3.250 20 0 FGADHM CCc1ccc(C(=O)N2[C@H](C(=O)OC)CC[C@H]2c2ccccc2)c([O-])c1 ZINC000447865105 500680813 /nfs/dbraw/zinc/68/08/13/500680813.db2.gz JBZHJAKTUJLXRP-ROUUACIJSA-N -1 3 353.418 3.474 20 0 FGADHM COC(=O)[C@@H]1CC[C@@H](c2ccccc2)N1C(=O)Cc1ccc([O-])cc1Cl ZINC000447865182 500681065 /nfs/dbraw/zinc/68/10/65/500681065.db2.gz VRUVIUSWXXTDBY-ROUUACIJSA-N -1 3 373.836 3.493 20 0 FGADHM COc1cc(C(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)cc(Cl)c1[O-] ZINC000443109392 500681266 /nfs/dbraw/zinc/68/12/66/500681266.db2.gz KVEVOTFVEFNUPC-SJCJKPOMSA-N -1 3 362.857 3.475 20 0 FGADHM COc1cc(C(=O)N[C@H](c2noc(C)n2)c2ccc(Cl)cc2)ccc1[O-] ZINC000443112147 500681724 /nfs/dbraw/zinc/68/17/24/500681724.db2.gz VQJNPUGCPGFPMM-INIZCTEOSA-N -1 3 373.796 3.265 20 0 FGADHM COc1cc(C(=O)N[C@@H](c2ccn(C)n2)c2ccc(Cl)cc2)ccc1[O-] ZINC000443141198 500686931 /nfs/dbraw/zinc/68/69/31/500686931.db2.gz ZFPHGHSPUJNNMW-GOSISDBHSA-N -1 3 371.824 3.307 20 0 FGADHM O=S(=O)([N-]C[C@@H]1CCSC1)c1cc(C(F)(F)F)ccc1Cl ZINC000447931155 500692141 /nfs/dbraw/zinc/69/21/41/500692141.db2.gz NZOJSXDBYYRBCI-QMMMGPOBSA-N -1 3 359.822 3.390 20 0 FGADHM Cc1cc(CS(=O)(=O)[N-]Cc2ccc(-c3ccco3)cc2F)on1 ZINC000447942537 500693156 /nfs/dbraw/zinc/69/31/56/500693156.db2.gz NBFXVZRJXWZAHS-UHFFFAOYSA-N -1 3 350.371 3.002 20 0 FGADHM CC(C)n1cnc(S(=O)(=O)[N-]Cc2ccc(-c3ccco3)cc2F)c1 ZINC000447944170 500694128 /nfs/dbraw/zinc/69/41/28/500694128.db2.gz QZNNPKHNUHYYGS-UHFFFAOYSA-N -1 3 363.414 3.342 20 0 FGADHM CC(C)[C@@H]1C[C@@H](CC(=O)N2CCC[C@H]2c2nc(=N)n(C)[n-]2)c2ccccc21 ZINC000573571573 506213145 /nfs/dbraw/zinc/21/31/45/506213145.db2.gz XLBRUTCJGXVITH-WBAXXEDZSA-N -1 3 367.497 3.208 20 0 FGADHM Cc1cccc(S(=O)(=O)[N-]C[C@@H]2CCCN(c3ccccc3)C2)c1F ZINC000433447131 500695503 /nfs/dbraw/zinc/69/55/03/500695503.db2.gz LEDDTNAXZKNTKA-INIZCTEOSA-N -1 3 362.470 3.329 20 0 FGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]C[C@@H](C)c1cccc(C)c1 ZINC000443232635 500700063 /nfs/dbraw/zinc/70/00/63/500700063.db2.gz DYCLRFFFAUXTNW-CYBMUJFWSA-N -1 3 365.426 3.003 20 0 FGADHM CCC(CC)(CCO)C[N-]S(=O)(=O)c1oc2ccc(F)cc2c1C ZINC000443334862 500711133 /nfs/dbraw/zinc/71/11/33/500711133.db2.gz NMZWZPUJEPREER-UHFFFAOYSA-N -1 3 357.447 3.347 20 0 FGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CCC(C)(C)C[C@H]1C ZINC000443351090 500714311 /nfs/dbraw/zinc/71/43/11/500714311.db2.gz ZCTKPHXGYLONOK-DGCLKSJQSA-N -1 3 357.447 3.105 20 0 FGADHM O=C([O-])C1(NCc2csc(-c3ccc4c(c3)OCO4)n2)CCCCC1 ZINC000448115430 500720428 /nfs/dbraw/zinc/72/04/28/500720428.db2.gz DWGURPQUGYOAPH-UHFFFAOYSA-N -1 3 360.435 3.416 20 0 FGADHM CCN1CCC([N-]S(=O)(=O)c2cc3cc(Cl)ccc3s2)CC1 ZINC000433639048 500724925 /nfs/dbraw/zinc/72/49/25/500724925.db2.gz WPKKXTPSSOVOKG-UHFFFAOYSA-N -1 3 358.916 3.317 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)[C@H](O)Cc1ccccc1 ZINC000443492702 500730336 /nfs/dbraw/zinc/73/03/36/500730336.db2.gz UWZWHAUKMBNVPM-MEDUHNTESA-N -1 3 374.289 3.264 20 0 FGADHM Cc1ccc(-c2cc(C(=O)Nc3cccc(-c4nnc(C)n4C)c3)n[n-]2)o1 ZINC000448196033 500731119 /nfs/dbraw/zinc/73/11/19/500731119.db2.gz HKBCBVPMGNXLMH-UHFFFAOYSA-N -1 3 362.393 3.334 20 0 FGADHM Cc1ccc(-c2cc(C(=O)Nc3cccc(-c4nnc(C)n4C)c3)[n-]n2)o1 ZINC000448196033 500731121 /nfs/dbraw/zinc/73/11/21/500731121.db2.gz HKBCBVPMGNXLMH-UHFFFAOYSA-N -1 3 362.393 3.334 20 0 FGADHM O=C(N=c1cc2ccccn2[n-]1)NCCc1ccccc1OC(F)(F)F ZINC000573550948 506211216 /nfs/dbraw/zinc/21/12/16/506211216.db2.gz RWSUAXLCOIWBES-UHFFFAOYSA-N -1 3 364.327 3.019 20 0 FGADHM CCOC(=O)c1ccsc1[N-]C(=O)C(=O)Nc1ccc2ccoc2c1 ZINC000443652083 500750265 /nfs/dbraw/zinc/75/02/65/500750265.db2.gz LAGQAVIZDSFKQA-UHFFFAOYSA-N -1 3 358.375 3.248 20 0 FGADHM O=C(N=c1[nH][n-]cc1Br)c1ccc(F)cc1C(F)(F)F ZINC000570705700 506214538 /nfs/dbraw/zinc/21/45/38/506214538.db2.gz FNKPTLXEYIBELQ-UHFFFAOYSA-N -1 3 352.085 3.004 20 0 FGADHM Cc1ccccc1O[C@H]1CCCC[C@H]1NC(=O)c1ccc2n[n-]nc2c1 ZINC000448445758 500760853 /nfs/dbraw/zinc/76/08/53/500760853.db2.gz IPMVKOWANBZYPW-APWZRJJASA-N -1 3 350.422 3.386 20 0 FGADHM CC(C)(C)[C@@H]([N-]S(C)(=O)=O)C(=O)N1C[C@H](C(C)(C)C)c2ccccc21 ZINC000443872395 500771842 /nfs/dbraw/zinc/77/18/42/500771842.db2.gz ZUQYZXXQAMFBLR-HOCLYGCPSA-N -1 3 366.527 3.127 20 0 FGADHM COc1ccc(CN2CCc3ncsc3C2)c(Br)c1[O-] ZINC000438352872 500775130 /nfs/dbraw/zinc/77/51/30/500775130.db2.gz AFVCADIBTBABLU-UHFFFAOYSA-N -1 3 355.257 3.178 20 0 FGADHM O=C(Cc1ccc([O-])c(F)c1)N1CCN(Cc2cccc(Cl)c2)CC1 ZINC000448587009 500778229 /nfs/dbraw/zinc/77/82/29/500778229.db2.gz FHKJOMMAPCQFFJ-UHFFFAOYSA-N -1 3 362.832 3.072 20 0 FGADHM Cc1nc(C)c(CCC(=O)NC[C@@H]2CCC[C@H](C(F)(F)F)C2)c(=O)[n-]1 ZINC000438514248 500795380 /nfs/dbraw/zinc/79/53/80/500795380.db2.gz FCQJMXPYYIBFRF-OLZOCXBDSA-N -1 3 359.392 3.217 20 0 FGADHM Cc1nc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2F)sc1C ZINC000444070500 500799146 /nfs/dbraw/zinc/79/91/46/500799146.db2.gz ATKVXGYQVDRSCJ-UHFFFAOYSA-N -1 3 368.377 3.396 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)c1ccccc1SC)c1c(C)nn(C)c1C ZINC000444074376 500799567 /nfs/dbraw/zinc/79/95/67/500799567.db2.gz HXIAJEMTQYOSMQ-ZDUSSCGKSA-N -1 3 353.513 3.188 20 0 FGADHM CC(C)COc1ccccc1CN1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000438697119 500814028 /nfs/dbraw/zinc/81/40/28/500814028.db2.gz OTUVYYHFOOJMCY-UHFFFAOYSA-N -1 3 368.477 3.385 20 0 FGADHM COc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1ccccc1SC)CCO2 ZINC000444190443 500815603 /nfs/dbraw/zinc/81/56/03/500815603.db2.gz HAZOLYLYHCMOPX-AWEZNQCLSA-N -1 3 365.476 3.219 20 0 FGADHM CC(C)(c1ccc(C(=O)N2CCc3c(nc[n-]c3=O)C2)cc1)C(F)(F)F ZINC000434247274 500816123 /nfs/dbraw/zinc/81/61/23/500816123.db2.gz DICFZLDEHNATKX-UHFFFAOYSA-N -1 3 365.355 3.221 20 0 FGADHM COc1cc(-c2noc(-c3cc(N4CCCC4=O)ccc3F)n2)ccc1[O-] ZINC000438736025 500816186 /nfs/dbraw/zinc/81/61/86/500816186.db2.gz KUXMCUHOGPADRS-UHFFFAOYSA-N -1 3 369.352 3.384 20 0 FGADHM O=S(=O)([N-]C[C@H]1CCCCS1)c1ccc(C(F)(F)F)cc1F ZINC000444205049 500817486 /nfs/dbraw/zinc/81/74/86/500817486.db2.gz LBSXQSDMRIOQAC-SNVBAGLBSA-N -1 3 357.394 3.409 20 0 FGADHM Cc1ncc(S(=O)(=O)[N-]CCc2cn(C)c3cc(Cl)ccc23)s1 ZINC000444209740 500818056 /nfs/dbraw/zinc/81/80/56/500818056.db2.gz CQUBNJSDIWZWCM-UHFFFAOYSA-N -1 3 369.899 3.118 20 0 FGADHM CCOc1cc(C(=O)[N-]c2ccc(C(=O)NCC(C)C)c(Cl)c2)on1 ZINC000448750502 500823387 /nfs/dbraw/zinc/82/33/87/500823387.db2.gz QXASTAQYCPIMTC-UHFFFAOYSA-N -1 3 365.817 3.365 20 0 FGADHM CCOC(C)(C)C[N-]S(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000444278198 500828372 /nfs/dbraw/zinc/82/83/72/500828372.db2.gz BFLNFRBRYVXXIJ-UHFFFAOYSA-N -1 3 356.271 3.095 20 0 FGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](CO)Cc2ccccc2)c1Cl ZINC000438898916 500832886 /nfs/dbraw/zinc/83/28/86/500832886.db2.gz UNDMRCNHOBHSCN-ZDUSSCGKSA-N -1 3 374.289 3.184 20 0 FGADHM O=C(Cc1ccc([O-])c(F)c1)Nc1cccc(CN2CCCCC2=O)c1 ZINC000448837704 500847930 /nfs/dbraw/zinc/84/79/30/500847930.db2.gz UFWQVAOIKJKEMG-UHFFFAOYSA-N -1 3 356.397 3.225 20 0 FGADHM O=C(Cc1ccc(NC(=O)C2CC2)cc1)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000439021217 500848183 /nfs/dbraw/zinc/84/81/83/500848183.db2.gz QFSIAQMZQBFCSQ-UHFFFAOYSA-N -1 3 360.417 3.028 20 0 FGADHM CC(F)(F)c1cccc(NC(=O)c2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)c1 ZINC000444437300 500848394 /nfs/dbraw/zinc/84/83/94/500848394.db2.gz OGZHZYOMYCCRRP-GOSISDBHSA-N -1 3 373.359 3.105 20 0 FGADHM O=C(Cc1ccc([O-])c(F)c1)N1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000448863863 500855655 /nfs/dbraw/zinc/85/56/55/500855655.db2.gz GEKOSSRLSXGENK-UHFFFAOYSA-N -1 3 374.387 3.090 20 0 FGADHM COc1ccc(Br)cc1S(=O)(=O)[N-]C1CCC2(CC2)CC1 ZINC000434753528 500889698 /nfs/dbraw/zinc/88/96/98/500889698.db2.gz CGDQEHGBIOSOHS-UHFFFAOYSA-N -1 3 374.300 3.459 20 0 FGADHM C[C@@H]1CC[C@@H](NC(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)C1 ZINC000444865843 500913426 /nfs/dbraw/zinc/91/34/26/500913426.db2.gz SAWYDJFYTUHGKK-VXGBXAGGSA-N -1 3 371.478 3.213 20 0 FGADHM Cc1noc(C)c1S(=O)(=O)[N-][C@H]1CCCC[C@@H]1Oc1cccc(C)c1 ZINC000435120559 500935962 /nfs/dbraw/zinc/93/59/62/500935962.db2.gz KMTCPAMORKIPTM-IRXDYDNUSA-N -1 3 364.467 3.268 20 0 FGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)c2c(C)cccc2C)cc1F ZINC000445055584 500938261 /nfs/dbraw/zinc/93/82/61/500938261.db2.gz CKDIAAAGZURCCV-CYBMUJFWSA-N -1 3 365.426 3.269 20 0 FGADHM CC1(C)CCC[C@@H]1[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000435219849 500945082 /nfs/dbraw/zinc/94/50/82/500945082.db2.gz IMTWLLMPMHEZJY-LBPRGKRZSA-N -1 3 350.253 3.445 20 0 FGADHM CCOC(=O)c1sc(NC(=O)c2ccc3nc(OCC)[n-]c3c2)nc1C ZINC000449235253 500953655 /nfs/dbraw/zinc/95/36/55/500953655.db2.gz UARPPFVOROXYOJ-UHFFFAOYSA-N -1 3 374.422 3.156 20 0 FGADHM CCOC(=O)c1sc(NC(=O)c2ccc3[n-]c(OCC)nc3c2)nc1C ZINC000449235253 500953658 /nfs/dbraw/zinc/95/36/58/500953658.db2.gz UARPPFVOROXYOJ-UHFFFAOYSA-N -1 3 374.422 3.156 20 0 FGADHM CCOc1cc(-c2noc(CCc3nc(-c4ccco4)no3)n2)ccc1[O-] ZINC000445432063 500984693 /nfs/dbraw/zinc/98/46/93/500984693.db2.gz SNODYRDMHXJSBB-UHFFFAOYSA-N -1 3 368.349 3.269 20 0 FGADHM COC(=O)c1cc2cc(NC(=O)c3n[n-]nc3-c3ccccc3)ccc2o1 ZINC000435536511 500989570 /nfs/dbraw/zinc/98/95/70/500989570.db2.gz ACBQPEXVEIXICB-UHFFFAOYSA-N -1 3 362.345 3.257 20 0 FGADHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CC(C)(C)O3)cc1F ZINC000440290846 500994355 /nfs/dbraw/zinc/99/43/55/500994355.db2.gz MSFKRWVEXPLLEL-UHFFFAOYSA-N -1 3 351.399 3.349 20 0 FGADHM Cc1ccc(C(=O)NCCc2ccn(-c3ccc(F)cc3)n2)c([O-])c1C ZINC000440324136 500996338 /nfs/dbraw/zinc/99/63/38/500996338.db2.gz ITMIMOOWKLNYIN-UHFFFAOYSA-N -1 3 353.397 3.306 20 0 FGADHM O=S(=O)([N-][C@H]1C[C@H](c2cccc(Cl)c2)C1)c1cn2c(n1)CCCC2 ZINC000435594350 500998179 /nfs/dbraw/zinc/99/81/79/500998179.db2.gz ARTQMQHUXHVUFZ-CTYIDZIISA-N -1 3 365.886 3.097 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]C[C@H]2CCCO[C@H]2C(C)(C)C)c(F)cc1F ZINC000440379501 501001514 /nfs/dbraw/zinc/00/15/14/501001514.db2.gz CRESUINODHLQEV-MLGOLLRUSA-N -1 3 361.454 3.393 20 0 FGADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000440382957 501002330 /nfs/dbraw/zinc/00/23/30/501002330.db2.gz KXPZAUDSEKZGFZ-UHFFFAOYSA-N -1 3 362.798 3.225 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]CCc2nc3ccccc3s2)c(F)cc1F ZINC000440415724 501006835 /nfs/dbraw/zinc/00/68/35/501006835.db2.gz MYLKEPQPBXJLRD-UHFFFAOYSA-N -1 3 368.430 3.404 20 0 FGADHM CC(C)OC(=O)[C@@H](C)C[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000440420487 501007062 /nfs/dbraw/zinc/00/70/62/501007062.db2.gz XPBGVGNKOMBRFS-LBPRGKRZSA-N -1 3 369.870 3.359 20 0 FGADHM CCOCCOc1ccccc1C(=O)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000435674808 501009514 /nfs/dbraw/zinc/00/95/14/501009514.db2.gz IAOCVSZMAHDJJE-UHFFFAOYSA-N -1 3 351.406 3.166 20 0 FGADHM C[C@H](CNC(=O)c1ccccc1[O-])Oc1ccc(Br)cc1 ZINC000440474938 501012735 /nfs/dbraw/zinc/01/27/35/501012735.db2.gz CUMKMYLNLCXOHB-LLVKDONJSA-N -1 3 350.212 3.352 20 0 FGADHM CC(C)(C)[C@H](CN1CCc2ccccc2C1)[N-]S(=O)(=O)c1ccco1 ZINC000445751686 501028208 /nfs/dbraw/zinc/02/82/08/501028208.db2.gz OABDPLDRPDHUPP-KRWDZBQOSA-N -1 3 362.495 3.031 20 0 FGADHM O=S(=O)([N-]C[C@@H](c1c(F)cccc1Cl)N1CCCC1)c1ccco1 ZINC000445754071 501028362 /nfs/dbraw/zinc/02/83/62/501028362.db2.gz WVYGSJACHYZGGT-AWEZNQCLSA-N -1 3 372.849 3.188 20 0 FGADHM CCC[C@H]1CCCCN1C(=O)C(=O)[N-]c1scc(C)c1C(=O)OCC ZINC000440950311 501067824 /nfs/dbraw/zinc/06/78/24/501067824.db2.gz GZJNASWGCDTIIR-ZDUSSCGKSA-N -1 3 366.483 3.353 20 0 FGADHM CCn1cc(C(=O)[N-]c2nnc(-c3ccccn3)s2)c(C(F)(F)F)n1 ZINC000436134153 501076119 /nfs/dbraw/zinc/07/61/19/501076119.db2.gz PHGRXQWYSBUFON-UHFFFAOYSA-N -1 3 368.344 3.088 20 0 FGADHM C[S@@](=O)c1ccc(CC(=O)Nc2cc(Br)ccc2[O-])cc1 ZINC000436144809 501077791 /nfs/dbraw/zinc/07/77/91/501077791.db2.gz DMBGVTDHAUNFJY-OAQYLSRUSA-N -1 3 368.252 3.073 20 0 FGADHM CCC[C@H]1CCC[C@H]1C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1[O-] ZINC000449811741 501094820 /nfs/dbraw/zinc/09/48/20/501094820.db2.gz SGXDBFHEFYLSAR-DZGCQCFKSA-N -1 3 366.483 3.087 20 0 FGADHM CCOc1nc2ccc(C(=O)Nc3cccc(OCCOC)c3)cc2[n-]1 ZINC000449812258 501094944 /nfs/dbraw/zinc/09/49/44/501094944.db2.gz ULQBOKWBQCCFDL-UHFFFAOYSA-N -1 3 355.394 3.239 20 0 FGADHM CCOc1nc2cc(C(=O)Nc3cccc(OCCOC)c3)ccc2[n-]1 ZINC000449812258 501094948 /nfs/dbraw/zinc/09/49/48/501094948.db2.gz ULQBOKWBQCCFDL-UHFFFAOYSA-N -1 3 355.394 3.239 20 0 FGADHM CCOC(=O)c1csc(=NCCc2nc3ccccc3n2C(F)F)[n-]1 ZINC000450367470 501101849 /nfs/dbraw/zinc/10/18/49/501101849.db2.gz CCNGTQBDINRYFL-UHFFFAOYSA-N -1 3 366.393 3.141 20 0 FGADHM CSCc1cc(F)ccc1CNC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000446503111 501126620 /nfs/dbraw/zinc/12/66/20/501126620.db2.gz AKWIQYWRFSUFIG-UHFFFAOYSA-N -1 3 356.422 3.460 20 0 FGADHM O=C(c1ccc2c(c1[O-])CCCC2)N1CCO[C@H](COc2ccccc2)C1 ZINC000436522966 501147634 /nfs/dbraw/zinc/14/76/34/501147634.db2.gz PDLSSYWMPBKYIH-SFHVURJKSA-N -1 3 367.445 3.191 20 0 FGADHM CC1(C)CCC(CNC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])CC1 ZINC000436524944 501148204 /nfs/dbraw/zinc/14/82/04/501148204.db2.gz LPAIGKSXIHKCRX-KRWDZBQOSA-N -1 3 358.482 3.329 20 0 FGADHM NC(=O)C[C@@H]1CCCCN1C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436529599 501148750 /nfs/dbraw/zinc/14/87/50/501148750.db2.gz AELJGKOUSGWSJE-AWEZNQCLSA-N -1 3 354.406 3.055 20 0 FGADHM CCCN(CC(=O)OC)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436547943 501153847 /nfs/dbraw/zinc/15/38/47/501153847.db2.gz KSXFDLAJDKQVHZ-UHFFFAOYSA-N -1 3 355.434 3.203 20 0 FGADHM CC(C)c1ccc(C(=O)N(C)Cc2nc(-c3cccnc3)no2)c([O-])c1 ZINC000436548490 501153981 /nfs/dbraw/zinc/15/39/81/501153981.db2.gz UPUXJNISPYVHPN-UHFFFAOYSA-N -1 3 352.394 3.233 20 0 FGADHM CC(C)Cc1cccc([C@H](C)C(=O)NCCNC(=O)c2ccc([O-])cc2)c1 ZINC000436550195 501154470 /nfs/dbraw/zinc/15/44/70/501154470.db2.gz ZEJMZKPJPVRWGX-INIZCTEOSA-N -1 3 368.477 3.240 20 0 FGADHM COC(=O)[C@H]1CN(C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)c2ccccc21 ZINC000436550442 501154513 /nfs/dbraw/zinc/15/45/13/501154513.db2.gz ZJDSKUFEJITQJC-HNNXBMFYSA-N -1 3 367.401 3.023 20 0 FGADHM CCOC(=O)c1cc(C(=O)N=c2[nH]n(C3CCCCC3)cc2C)[n-]c1C ZINC000450563917 501155428 /nfs/dbraw/zinc/15/54/28/501155428.db2.gz SILAVVSRBLJUCU-UHFFFAOYSA-N -1 3 358.442 3.184 20 0 FGADHM CN(C(=O)c1cc(CCc2ccccc2)ccc1[O-])[C@@H]1CN2CCC1CC2 ZINC000436558638 501156890 /nfs/dbraw/zinc/15/68/90/501156890.db2.gz QYNIXTDGGWMEIL-OAQYLSRUSA-N -1 3 364.489 3.344 20 0 FGADHM COC(=O)c1ccsc1[N-]C(=O)C(=O)N1CCC[C@@H]1c1ccc(C)cc1 ZINC000441645335 501160668 /nfs/dbraw/zinc/16/06/68/501160668.db2.gz OKIOKCGPXHBKHF-OAHLLOKOSA-N -1 3 372.446 3.145 20 0 FGADHM C[S@](=O)C[C@H](NC(=O)c1cc2c(cc1[O-])CCCC2)c1ccccc1 ZINC000436588928 501163941 /nfs/dbraw/zinc/16/39/41/501163941.db2.gz JBWJGLHLVJFKCL-BVZFJXPGSA-N -1 3 357.475 3.121 20 0 FGADHM O=c1[nH]cc(C(F)(F)F)cc1[N-]S(=O)(=O)Cc1ccccc1Cl ZINC000446795002 501165770 /nfs/dbraw/zinc/16/57/70/501165770.db2.gz VFUOYUOSYGNDFZ-UHFFFAOYSA-N -1 3 366.748 3.401 20 0 FGADHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1CCC(CC)(CC)C1 ZINC000446805722 501166747 /nfs/dbraw/zinc/16/67/47/501166747.db2.gz HABZRUBOGUWQHI-UHFFFAOYSA-N -1 3 366.483 3.210 20 0 FGADHM CCCC[C@@H]1CCC[C@H]1NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436605349 501168686 /nfs/dbraw/zinc/16/86/86/501168686.db2.gz CBHDPVNCHGZLMX-VQIMIIECSA-N -1 3 373.497 3.219 20 0 FGADHM COc1ccc(C(=O)N[C@@H](Cn2ccnc2)c2ccc(C)cc2C)c([O-])c1 ZINC000436608049 501168946 /nfs/dbraw/zinc/16/89/46/501168946.db2.gz TVYRVOOCQKGBKK-IBGZPJMESA-N -1 3 365.433 3.385 20 0 FGADHM Cc1ccc(CNC(=O)Cc2ccc([O-])c(F)c2)c(OC[C@H]2CCCO2)c1 ZINC000450101172 501181192 /nfs/dbraw/zinc/18/11/92/501181192.db2.gz CPOMYLHWOYJGNY-QGZVFWFLSA-N -1 3 373.424 3.256 20 0 FGADHM CCO[C@@H]1C[C@@H](NC(=O)c2cc(OC)c([O-])c(OC)c2)C1(CC)CC ZINC000436661336 501181639 /nfs/dbraw/zinc/18/16/39/501181639.db2.gz FGLPSXYWDWBISB-HZPDHXFCSA-N -1 3 351.443 3.123 20 0 FGADHM CC(C)c1ccc(C(=O)N2CCC[C@H](CNC(=O)c3ccco3)C2)c([O-])c1 ZINC000436666337 501182256 /nfs/dbraw/zinc/18/22/56/501182256.db2.gz QLPURWVUOVETBH-OAHLLOKOSA-N -1 3 370.449 3.391 20 0 FGADHM COc1cccc(C(=O)NCc2ccc(F)cc2Br)c1[O-] ZINC000436663225 501182296 /nfs/dbraw/zinc/18/22/96/501182296.db2.gz GASGBDDIMJQBLV-UHFFFAOYSA-N -1 3 354.175 3.232 20 0 FGADHM CC(C)c1ccc(C(=O)Nc2ccc(F)c(NS(C)(=O)=O)c2)c([O-])c1 ZINC000436668541 501183116 /nfs/dbraw/zinc/18/31/16/501183116.db2.gz XKQFDFSBPZDWBN-UHFFFAOYSA-N -1 3 366.414 3.279 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N[C@@H](C)c2cc3ccccc3o2)c([O-])c1 ZINC000436668185 501183627 /nfs/dbraw/zinc/18/36/27/501183627.db2.gz WPFHLVCTHSMCHX-AWEZNQCLSA-N -1 3 366.417 3.444 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)Nc2nc(-c3ccco3)cs2)c([O-])c1 ZINC000436667317 501183631 /nfs/dbraw/zinc/18/36/31/501183631.db2.gz SVKDBJBFGLDKRI-UHFFFAOYSA-N -1 3 371.418 3.176 20 0 FGADHM COc1ccccc1CN1CCN(C(=O)c2ccc(C(C)C)cc2[O-])CC1 ZINC000436673378 501185235 /nfs/dbraw/zinc/18/52/35/501185235.db2.gz JONHDFIBUZPAFU-UHFFFAOYSA-N -1 3 368.477 3.482 20 0 FGADHM O=C(Nc1ccc(CCN2CCCCC2)cc1)C(=O)c1ccc([O-])cc1 ZINC000436677414 501185830 /nfs/dbraw/zinc/18/58/30/501185830.db2.gz CLNALEMCHPMCHI-UHFFFAOYSA-N -1 3 352.434 3.242 20 0 FGADHM C[C@@H]1CCCC[C@H]1CCNC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436686268 501188432 /nfs/dbraw/zinc/18/84/32/501188432.db2.gz NMLDKDDJIYNCOU-SJORKVTESA-N -1 3 373.497 3.076 20 0 FGADHM Cc1ccc(C(=O)Nc2ccc(CCN3CCOCC3)cc2)c([O-])c1C ZINC000436687166 501188652 /nfs/dbraw/zinc/18/86/52/501188652.db2.gz JYEYRUBRRPMQAE-UHFFFAOYSA-N -1 3 354.450 3.136 20 0 FGADHM CCN(CC)c1ccc(-c2noc(-c3cc(OC)c([O-])c(OC)c3)n2)cn1 ZINC000436692227 501189498 /nfs/dbraw/zinc/18/94/98/501189498.db2.gz XBVKGKQACLQAIM-UHFFFAOYSA-N -1 3 370.409 3.368 20 0 FGADHM COc1cc(SC)ccc1NC(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC000446980250 501190576 /nfs/dbraw/zinc/19/05/76/501190576.db2.gz QHIXMBQTIQGJLX-UHFFFAOYSA-N -1 3 374.462 3.190 20 0 FGADHM CCc1ccc2c(c1)[C@@H](CCNC(=O)c1ccc([O-])c(CC)c1)C(=O)N2 ZINC000436695946 501190784 /nfs/dbraw/zinc/19/07/84/501190784.db2.gz NNSNDBWVNVGSBH-MRXNPFEDSA-N -1 3 352.434 3.373 20 0 FGADHM CCc1nc2cc(CNC(=O)c3ccc(O)cc3[O-])ccc2n1C1CC1 ZINC000436699514 501191787 /nfs/dbraw/zinc/19/17/87/501191787.db2.gz RAFNQHXOSATWOC-UHFFFAOYSA-N -1 3 351.406 3.275 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N[C@@H](c2ccccc2)C2CC2)c([O-])c1 ZINC000436703255 501192439 /nfs/dbraw/zinc/19/24/39/501192439.db2.gz DLWVTLOOWJOWST-FQEVSTJZSA-N -1 3 352.434 3.088 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)NCCCSc2ccccc2)c([O-])c1 ZINC000436705480 501192574 /nfs/dbraw/zinc/19/25/74/501192574.db2.gz KIICIOGYYBVZER-UHFFFAOYSA-N -1 3 372.490 3.119 20 0 FGADHM C[C@H](C(=O)NC(C)(C)C)N(C)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436706182 501193037 /nfs/dbraw/zinc/19/30/37/501193037.db2.gz LQYQHLFIDITIGI-OAHLLOKOSA-N -1 3 368.477 3.358 20 0 FGADHM Cc1nc([N-]C(=O)c2csnn2)sc1Cc1ccc(F)cc1F ZINC000447008881 501194549 /nfs/dbraw/zinc/19/45/49/501194549.db2.gz XCGMWHDXWACSFU-UHFFFAOYSA-N -1 3 352.391 3.424 20 0 FGADHM COc1ccc2c(c1)OCCN(C(=O)c1cc3c(cc1[O-])CCCC3)C2 ZINC000436716257 501195487 /nfs/dbraw/zinc/19/54/87/501195487.db2.gz SGUFLSGIFGNCOO-UHFFFAOYSA-N -1 3 353.418 3.314 20 0 FGADHM Cc1cccc(C(=O)N[C@@H](CCO)c2ccccc2Br)c1[O-] ZINC000436715100 501195514 /nfs/dbraw/zinc/19/55/14/501195514.db2.gz HWDDFTNGXWMOTO-HNNXBMFYSA-N -1 3 364.239 3.317 20 0 FGADHM O=C(c1c([O-])cccc1O)N1CCO[C@@H](c2ccccc2C(F)(F)F)C1 ZINC000436715697 501195714 /nfs/dbraw/zinc/19/57/14/501195714.db2.gz MACISSCVXJWYNX-OAHLLOKOSA-N -1 3 367.323 3.330 20 0 FGADHM Cc1nn(C)c2nc(C(=O)Nc3ccc([O-])c(C(F)(F)F)c3)ccc12 ZINC000436722763 501197182 /nfs/dbraw/zinc/19/71/82/501197182.db2.gz PIVVSKFMEJATLQ-UHFFFAOYSA-N -1 3 350.300 3.253 20 0 FGADHM Cc1cc(CNC(=O)c2cc(OCc3ccccc3)ccc2[O-])nc(C)n1 ZINC000436725596 501197781 /nfs/dbraw/zinc/19/77/81/501197781.db2.gz SMHKHDRTSNGCND-UHFFFAOYSA-N -1 3 363.417 3.308 20 0 FGADHM Cc1ccc([C@@H](CC(=O)OC(C)C)NC(=O)c2ccc(O)cc2[O-])cc1 ZINC000436737120 501200529 /nfs/dbraw/zinc/20/05/29/501200529.db2.gz IHJIMPVEXMTBCV-QGZVFWFLSA-N -1 3 357.406 3.219 20 0 FGADHM C[C@H](NC(=O)c1c([O-])cccc1O)c1ccc(Br)cc1F ZINC000436740955 501202304 /nfs/dbraw/zinc/20/23/04/501202304.db2.gz UHAUNZHWHNMRPK-QMMMGPOBSA-N -1 3 354.175 3.490 20 0 FGADHM C[C@@H](C(=O)NC(C)(C)C)N(C)C(=O)CCc1ccc2ccccc2c1[O-] ZINC000450771965 501205091 /nfs/dbraw/zinc/20/50/91/501205091.db2.gz OVOBIJBZOCHQKP-AWEZNQCLSA-N -1 3 356.466 3.240 20 0 FGADHM COc1cccc([C@H](CNC(=O)c2ccc(F)cc2[O-])N2CCCC2)c1 ZINC000436759250 501205851 /nfs/dbraw/zinc/20/58/51/501205851.db2.gz VMEJHNXKZDEHMV-SFHVURJKSA-N -1 3 358.413 3.107 20 0 FGADHM Cc1ccc(C(=O)N[C@@H](c2nccn2C)c2cccc(F)c2)c([O-])c1C ZINC000436758897 501205987 /nfs/dbraw/zinc/20/59/87/501205987.db2.gz ZAKWDXAXELQJNS-QGZVFWFLSA-N -1 3 353.397 3.401 20 0 FGADHM CC1(C)CCC(CNC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)CC1 ZINC000436757992 501206031 /nfs/dbraw/zinc/20/60/31/501206031.db2.gz XABJPSPAAIFDNX-UHFFFAOYSA-N -1 3 373.497 3.076 20 0 FGADHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1CCC[C@@H]1CC(C)C ZINC000442208439 501208123 /nfs/dbraw/zinc/20/81/23/501208123.db2.gz MHVWLJFPRRPNNQ-CYBMUJFWSA-N -1 3 366.483 3.209 20 0 FGADHM C[C@@H]1C[C@@H](NC(=O)c2cc(Br)cc(Cl)c2[O-])CCN1C ZINC000436773215 501209414 /nfs/dbraw/zinc/20/94/14/501209414.db2.gz QFUPTXCRJYGJCG-SCZZXKLOSA-N -1 3 361.667 3.021 20 0 FGADHM CC[C@@H](CNC(=O)c1cc(NC(C)=O)ccc1[O-])Oc1ccccc1F ZINC000436790081 501212042 /nfs/dbraw/zinc/21/20/42/501212042.db2.gz NDKCXKMEHFVVQP-AWEZNQCLSA-N -1 3 360.385 3.077 20 0 FGADHM COc1cccc(C(=O)NC[C@H](c2ccc(SC)cc2)N(C)C)c1[O-] ZINC000436801252 501213679 /nfs/dbraw/zinc/21/36/79/501213679.db2.gz QZFXRROWZOTPKQ-MRXNPFEDSA-N -1 3 360.479 3.155 20 0 FGADHM COC[C@H](NC(=O)c1cc(NC(C)=O)ccc1[O-])c1ccc(Cl)cc1 ZINC000436824398 501216660 /nfs/dbraw/zinc/21/66/60/501216660.db2.gz ZMWZMTZPULDABJ-INIZCTEOSA-N -1 3 362.813 3.122 20 0 FGADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CCN(CCc2ccccc2)CC1 ZINC000436830484 501218112 /nfs/dbraw/zinc/21/81/12/501218112.db2.gz VBBPAKXWIRWQMF-UHFFFAOYSA-N -1 3 364.489 3.272 20 0 FGADHM Cc1cc2nc(N3CCN(C(=O)c4ccc([O-])cc4)CC3)oc2c(C)c1 ZINC000450244104 501218154 /nfs/dbraw/zinc/21/81/54/501218154.db2.gz UDIYMCVLPPNPEL-UHFFFAOYSA-N -1 3 351.406 3.113 20 0 FGADHM Cc1cccc2nc(CNC(=O)c3cc(Br)ccc3[O-])[nH]c21 ZINC000436835463 501219147 /nfs/dbraw/zinc/21/91/47/501219147.db2.gz DXIOXCDJEOIRSX-UHFFFAOYSA-N -1 3 360.211 3.269 20 0 FGADHM COc1cc(Br)ccc1[C@H](C)NC(=O)c1ccc(O)cc1[O-] ZINC000436842006 501219993 /nfs/dbraw/zinc/21/99/93/501219993.db2.gz UOXRAAUYHUQFMI-VIFPVBQESA-N -1 3 366.211 3.360 20 0 FGADHM COc1ccc(C(=O)N2C[C@@H](C)N(Cc3ccccc3)C[C@H]2C)c([O-])c1 ZINC000436864114 501223678 /nfs/dbraw/zinc/22/36/78/501223678.db2.gz YFGXJVXMRQGPKS-HZPDHXFCSA-N -1 3 354.450 3.136 20 0 FGADHM CC(C)c1ccc(C(=O)NC[C@@H](Cc2ccccc2Cl)C(N)=O)c([O-])c1 ZINC000436873769 501225421 /nfs/dbraw/zinc/22/54/21/501225421.db2.gz XQINBBFVQZGIQN-OAHLLOKOSA-N -1 3 374.868 3.243 20 0 FGADHM CCC1(CC)[C@H](OC)C[C@@H]1N(C)C(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000436878427 501226052 /nfs/dbraw/zinc/22/60/52/501226052.db2.gz CPOVCTUYDKPAIR-JKSUJKDBSA-N -1 3 351.443 3.075 20 0 FGADHM O=c1[n-]nc([C@@H]2CCCN(Cc3ccccc3Oc3cccnc3)C2)o1 ZINC000450897777 501226171 /nfs/dbraw/zinc/22/61/71/501226171.db2.gz RXEFEUADTCBFCA-OAHLLOKOSA-N -1 3 352.394 3.342 20 0 FGADHM CC[C@H](NC(=O)c1ccccc1)c1noc(-c2cccc(OC)c2[O-])n1 ZINC000436881295 501226563 /nfs/dbraw/zinc/22/65/63/501226563.db2.gz MZCORNMMCZVUND-AWEZNQCLSA-N -1 3 353.378 3.332 20 0 FGADHM Cc1noc(C[C@H](NC(=O)c2ccc(C)c(C)c2[O-])c2ccccc2)n1 ZINC000436880515 501226588 /nfs/dbraw/zinc/22/65/88/501226588.db2.gz KBHIPLJWTYBABW-KRWDZBQOSA-N -1 3 351.406 3.414 20 0 FGADHM COc1ccc(C2(NC(=O)c3cc(C)ccc3[O-])CCOCC2)cc1F ZINC000436900737 501229656 /nfs/dbraw/zinc/22/96/56/501229656.db2.gz JTQUZQGJAZUIHX-UHFFFAOYSA-N -1 3 359.397 3.284 20 0 FGADHM O=C(NCCNc1ncccc1OCc1ccccc1)c1ccc([O-])cc1 ZINC000436902991 501230032 /nfs/dbraw/zinc/23/00/32/501230032.db2.gz LNBXGDIKQOFNQA-UHFFFAOYSA-N -1 3 363.417 3.208 20 0 FGADHM O=C(c1ccccc1[O-])N1CCN(CCc2ccc(F)cc2Cl)CC1 ZINC000436909909 501230933 /nfs/dbraw/zinc/23/09/33/501230933.db2.gz OCPLNGQLPSLNJD-UHFFFAOYSA-N -1 3 362.832 3.185 20 0 FGADHM CCOC(=O)[C@H](NC(=O)Cc1ccc([O-])c(F)c1)c1cccc(C)c1C ZINC000450964784 501235571 /nfs/dbraw/zinc/23/55/71/501235571.db2.gz ZMWGSYMHNKIROP-LJQANCHMSA-N -1 3 359.397 3.111 20 0 FGADHM O=S(=O)(CCC1CCCC1)[N-]c1ccccc1OCCn1ccnc1 ZINC000450970771 501235885 /nfs/dbraw/zinc/23/58/85/501235885.db2.gz NKFHUCUOQYUVIN-UHFFFAOYSA-N -1 3 363.483 3.284 20 0 FGADHM CCOc1nc2cc(C(=O)N3CCc4ccc(OC)cc4CC3)ccc2[n-]1 ZINC000451024188 501239892 /nfs/dbraw/zinc/23/98/92/501239892.db2.gz HSQXCASAOCAZBN-UHFFFAOYSA-N -1 3 365.433 3.211 20 0 FGADHM CCOc1nc2ccc(C(=O)N3CCc4ccc(OC)cc4CC3)cc2[n-]1 ZINC000451024188 501239893 /nfs/dbraw/zinc/23/98/93/501239893.db2.gz HSQXCASAOCAZBN-UHFFFAOYSA-N -1 3 365.433 3.211 20 0 FGADHM CC(C)(C)Oc1c(F)cc([N-]S(=O)(=O)c2c[nH]c(=O)s2)cc1F ZINC000451025296 501240265 /nfs/dbraw/zinc/24/02/65/501240265.db2.gz BVEPLBWFEUKMHD-UHFFFAOYSA-N -1 3 364.395 3.105 20 0 FGADHM Cc1csc(S(=O)(=O)[N-]CC2(c3ccccc3)CCOCC2)c1 ZINC000451049503 501241974 /nfs/dbraw/zinc/24/19/74/501241974.db2.gz MYWZGCFROQVWIJ-UHFFFAOYSA-N -1 3 351.493 3.083 20 0 FGADHM CCOc1ccc(S(=O)(=O)[N-][C@H](C)C(C)(F)F)cc1Br ZINC000451072946 501243315 /nfs/dbraw/zinc/24/33/15/501243315.db2.gz POMWTCMIMPQOKM-MRVPVSSYSA-N -1 3 372.231 3.170 20 0 FGADHM CCOc1ccncc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000451227812 501253597 /nfs/dbraw/zinc/25/35/97/501253597.db2.gz GOWYYLZYYFZOTH-ZWNOBZJWSA-N -1 3 370.833 3.107 20 0 FGADHM COC[C@H](CNC(=O)NCc1ccc([O-])c(F)c1)c1ccc(Cl)cc1 ZINC000455333748 501274148 /nfs/dbraw/zinc/27/41/48/501274148.db2.gz CEYYOSYUSUHFFS-AWEZNQCLSA-N -1 3 366.820 3.414 20 0 FGADHM O=c1cc(C[S@@](=O)Cc2cc(-c3ccccc3)no2)nc(C2CC2)[n-]1 ZINC000582475528 506243589 /nfs/dbraw/zinc/24/35/89/506243589.db2.gz RMFLTKMFOFBHQS-RUZDIDTESA-N -1 3 355.419 3.164 20 0 FGADHM C[C@H]1C[C@H](CC[N-]S(=O)(=O)c2ccc3ccccc3c2F)CCO1 ZINC000451395825 501282627 /nfs/dbraw/zinc/28/26/27/501282627.db2.gz RNQYWUJRZBVUEH-UONOGXRCSA-N -1 3 351.443 3.462 20 0 FGADHM C[N-]S(=O)(=O)c1cc(NC(=O)N2CCC[C@@]2(C)CC(C)C)ccc1F ZINC000455407758 501294639 /nfs/dbraw/zinc/29/46/39/501294639.db2.gz VRYZUNLVZGSEBF-KRWDZBQOSA-N -1 3 371.478 3.166 20 0 FGADHM CC(C)(Cc1ccc(Cl)cc1)C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000457725449 501295483 /nfs/dbraw/zinc/29/54/83/501295483.db2.gz IEOLULPZUBACPT-UHFFFAOYSA-N -1 3 360.767 3.362 20 0 FGADHM CC(C)(Cc1ccc(Cl)cc1)C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000457725449 501295487 /nfs/dbraw/zinc/29/54/87/501295487.db2.gz IEOLULPZUBACPT-UHFFFAOYSA-N -1 3 360.767 3.362 20 0 FGADHM CC(C)(Cc1ccc(Cl)cc1)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000457725449 501295490 /nfs/dbraw/zinc/29/54/90/501295490.db2.gz IEOLULPZUBACPT-UHFFFAOYSA-N -1 3 360.767 3.362 20 0 FGADHM O=S(=O)(C[C@@H]1CCCC1(F)F)[N-][C@@H]1CCOc2c(F)ccc(F)c21 ZINC000451572266 501328177 /nfs/dbraw/zinc/32/81/77/501328177.db2.gz WWONEFWTXUIXCH-JOYOIKCWSA-N -1 3 367.364 3.143 20 0 FGADHM CCn1nc(C)c(S(=O)(=O)[N-][C@H]2CCCC[C@H]2CC(F)(F)F)c1C ZINC000451750024 501365350 /nfs/dbraw/zinc/36/53/50/501365350.db2.gz SUVDOGPXHUXHPP-STQMWFEESA-N -1 3 367.437 3.309 20 0 FGADHM O=S(=O)([N-]CC1(CF)CCOCC1)c1cc(Cl)ccc1Cl ZINC000451817135 501378813 /nfs/dbraw/zinc/37/88/13/501378813.db2.gz QTCQDDKWJKWUSR-UHFFFAOYSA-N -1 3 356.246 3.038 20 0 FGADHM CCn1ccnc1[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000451935829 501404527 /nfs/dbraw/zinc/40/45/27/501404527.db2.gz SSNZVGQXCILVND-SSDOTTSWSA-N -1 3 354.284 3.311 20 0 FGADHM Cc1ccc(F)c(CC[N-]S(=O)(=O)c2cnccc2C(F)(F)F)c1 ZINC000451936215 501404569 /nfs/dbraw/zinc/40/45/69/501404569.db2.gz WSYRNPPWNRLVGG-UHFFFAOYSA-N -1 3 362.348 3.069 20 0 FGADHM COc1cc(Cl)c(S(=O)(=O)[N-]CCC[C@@H]2CCOC2)cc1Cl ZINC000452014099 501418963 /nfs/dbraw/zinc/41/89/63/501418963.db2.gz HVGSACLBYWQTPG-SNVBAGLBSA-N -1 3 368.282 3.097 20 0 FGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]CC(C)(C)C(C)(C)O)s2)cs1 ZINC000452030676 501421115 /nfs/dbraw/zinc/42/11/15/501421115.db2.gz HVDCKIQQEPSFEX-UHFFFAOYSA-N -1 3 374.553 3.255 20 0 FGADHM COc1ccc([C@H]([N-]S(=O)(=O)CCC(F)(F)F)c2ccco2)cc1 ZINC000452087319 501432158 /nfs/dbraw/zinc/43/21/58/501432158.db2.gz PIJDLJKOGCXJTK-AWEZNQCLSA-N -1 3 363.357 3.249 20 0 FGADHM O=S(=O)(Cc1ccccc1F)[N-][C@H](c1cccs1)C1(CO)CCC1 ZINC000452092111 501433580 /nfs/dbraw/zinc/43/35/80/501433580.db2.gz SGNYFOFYLSTKEG-MRXNPFEDSA-N -1 3 369.483 3.211 20 0 FGADHM CN(C(=O)NCc1ccc([O-])c(Br)c1)[C@@H](CO)CC(C)(C)C ZINC000458558927 501474450 /nfs/dbraw/zinc/47/44/50/501474450.db2.gz UQHYLFIXWJHFLL-GFCCVEGCSA-N -1 3 373.291 3.093 20 0 FGADHM COCC[C@@H](NC(=O)c1csc(=O)[n-]1)c1cccc(C(F)(F)F)c1 ZINC000456286100 501488710 /nfs/dbraw/zinc/48/87/10/501488710.db2.gz JZDPRAQTEDSBCD-LLVKDONJSA-N -1 3 360.357 3.375 20 0 FGADHM COc1cccc([C@H]2C[C@H](NC(=O)c3cc(OC)c([O-])c(OC)c3)C2)c1 ZINC000456518004 501540490 /nfs/dbraw/zinc/54/04/90/501540490.db2.gz VQHMBXSAQFIHKU-CTYIDZIISA-N -1 3 357.406 3.094 20 0 FGADHM CO[C@H]1CCN(C(=O)c2ccc(C(=O)c3cccc([O-])c3)cc2)C[C@H]1C ZINC000452850006 501573800 /nfs/dbraw/zinc/57/38/00/501573800.db2.gz VBSXOZYOTLFXCV-KUHUBIRLSA-N -1 3 353.418 3.120 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)NC[C@H]3CCO[C@@H](C(C)C)C3)c[n-]c12 ZINC000452855533 501575161 /nfs/dbraw/zinc/57/51/61/501575161.db2.gz WFXDKWQIBGFEDO-SUMWQHHRSA-N -1 3 360.429 3.157 20 0 FGADHM CC[C@H]1[C@H](CO)CCN1C(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000452964278 501593809 /nfs/dbraw/zinc/59/38/09/501593809.db2.gz UWGBOVAVBZUWBU-LPHOPBHVSA-N -1 3 355.434 3.204 20 0 FGADHM Cc1nc(S(=O)(=O)Cc2nc(-c3ccc(C(C)C)cc3)no2)[n-]c1C ZINC000453032594 501605124 /nfs/dbraw/zinc/60/51/24/501605124.db2.gz XKIQOPOMCRHXBP-UHFFFAOYSA-N -1 3 360.439 3.174 20 0 FGADHM CC1(C)CCC[C@@H](CNC(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)C1 ZINC000456898460 501616472 /nfs/dbraw/zinc/61/64/72/501616472.db2.gz DQQYFXXBYKACJO-GFCCVEGCSA-N -1 3 356.463 3.143 20 0 FGADHM COc1ccccc1CN(Cc1cc(=O)[n-]c(C2CC2)n1)C[C@@H]1CCCO1 ZINC000459291265 501625801 /nfs/dbraw/zinc/62/58/01/501625801.db2.gz DCXGIYIFTJBGSL-SFHVURJKSA-N -1 3 369.465 3.249 20 0 FGADHM CCCC(=O)NC[C@@H]1CCCN(Cc2cccc([O-])c2Br)C1 ZINC000459323962 501630972 /nfs/dbraw/zinc/63/09/72/501630972.db2.gz KBBFXBSGGSFITN-ZDUSSCGKSA-N -1 3 369.303 3.283 20 0 FGADHM [O-]c1cccc(CN2CCC[C@@H]2[C@@H](O)C(F)(F)F)c1Br ZINC000459338958 501634532 /nfs/dbraw/zinc/63/45/32/501634532.db2.gz SOLFGWSKPLCSLY-BXKDBHETSA-N -1 3 354.166 3.042 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@](C)(Cc2ccccc2)C2CC2)c1 ZINC000457009022 501634571 /nfs/dbraw/zinc/63/45/71/501634571.db2.gz FHQZTDXIPQORKW-NRFANRHFSA-N -1 3 352.434 3.492 20 0 FGADHM CSc1ccc(-c2noc(-c3cc(=O)[n-]c(N(C)C)n3)n2)c(Cl)c1 ZINC000582512603 506265008 /nfs/dbraw/zinc/26/50/08/506265008.db2.gz NJLCYRUCZUTZPQ-UHFFFAOYSA-N -1 3 363.830 3.341 20 0 FGADHM Cc1cccc([C@@H](C)NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])c1 ZINC000457041630 501639516 /nfs/dbraw/zinc/63/95/16/501639516.db2.gz FRHFXNJBRFPNIM-QAPCUYQASA-N -1 3 352.434 3.183 20 0 FGADHM COC(=O)[C@H]1CCCC[C@]1(C)NCc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000459379670 501642846 /nfs/dbraw/zinc/64/28/46/501642846.db2.gz SSNCYRNYAFKVGN-UZLBHIALSA-N -1 3 355.438 3.061 20 0 FGADHM O=c1cc(CN[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)nc(C2CC2)[n-]1 ZINC000459432963 501652822 /nfs/dbraw/zinc/65/28/22/501652822.db2.gz ZPEIIYJDQBBPJT-WBVHZDCISA-N -1 3 363.820 3.472 20 0 FGADHM O=c1cc(CN(Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)nc(C2CC2)[n-]1 ZINC000459483079 501661236 /nfs/dbraw/zinc/66/12/36/501661236.db2.gz RIOALKQBVIMACK-XJKSGUPXSA-N -1 3 357.479 3.060 20 0 FGADHM Cc1ccn(C2CCN(Cc3cccc([O-])c3Br)CC2)n1 ZINC000459498217 501664587 /nfs/dbraw/zinc/66/45/87/501664587.db2.gz BJWJNDIOMMURAJ-UHFFFAOYSA-N -1 3 350.260 3.497 20 0 FGADHM CCOc1nc2cc(C(=O)N3CC[C@](C)(C(=O)OC(C)(C)C)C3)ccc2[n-]1 ZINC000457225809 501668076 /nfs/dbraw/zinc/66/80/76/501668076.db2.gz FCZMXBHOLDSHIS-FQEVSTJZSA-N -1 3 373.453 3.156 20 0 FGADHM CCOc1nc2ccc(C(=O)N3CC[C@](C)(C(=O)OC(C)(C)C)C3)cc2[n-]1 ZINC000457225809 501668078 /nfs/dbraw/zinc/66/80/78/501668078.db2.gz FCZMXBHOLDSHIS-FQEVSTJZSA-N -1 3 373.453 3.156 20 0 FGADHM COCCN(Cc1cccnc1)Cc1cccc([O-])c1Br ZINC000459557314 501675833 /nfs/dbraw/zinc/67/58/33/501675833.db2.gz JOHOTAMEAMYICG-UHFFFAOYSA-N -1 3 351.244 3.198 20 0 FGADHM Cc1ccc(C[C@H](CO)NC(=O)c2cc([O-])ccc2C(F)(F)F)cc1C ZINC000457295172 501677400 /nfs/dbraw/zinc/67/74/00/501677400.db2.gz QKMUKOZTWCEOAR-CQSZACIVSA-N -1 3 367.367 3.361 20 0 FGADHM CCOc1cc(CN2CC[C@H](CO)[C@@H]2CC)cc(Br)c1[O-] ZINC000459573926 501679424 /nfs/dbraw/zinc/67/94/24/501679424.db2.gz SHLCTUZKFUKTQM-OCCSQVGLSA-N -1 3 358.276 3.146 20 0 FGADHM Cn1[n-]c(=NC(=O)N2CC[C@H](c3cccc(Cl)c3)C2)cc1OC(F)F ZINC000455220463 501710393 /nfs/dbraw/zinc/71/03/93/501710393.db2.gz YRDONTDNQVGWDA-NSHDSACASA-N -1 3 370.787 3.118 20 0 FGADHM CCc1nc(CC(=O)Nc2nnc(-c3cc4ccccc4o3)[n-]2)cs1 ZINC000485130118 501731633 /nfs/dbraw/zinc/73/16/33/501731633.db2.gz GPQWHWJOOSHNAL-UHFFFAOYSA-N -1 3 353.407 3.418 20 0 FGADHM CCc1nc(CC(=O)Nc2nc(-c3cc4ccccc4o3)n[n-]2)cs1 ZINC000485130118 501731638 /nfs/dbraw/zinc/73/16/38/501731638.db2.gz GPQWHWJOOSHNAL-UHFFFAOYSA-N -1 3 353.407 3.418 20 0 FGADHM CCc1nc(CC(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)cs1 ZINC000485130118 501731641 /nfs/dbraw/zinc/73/16/41/501731641.db2.gz GPQWHWJOOSHNAL-UHFFFAOYSA-N -1 3 353.407 3.418 20 0 FGADHM CC(=O)c1cnc([N-]C(=O)c2ncoc2-c2ccc3c(c2)OCCO3)s1 ZINC000460132276 501734603 /nfs/dbraw/zinc/73/46/03/501734603.db2.gz FIJQMFQPEQCYKL-UHFFFAOYSA-N -1 3 371.374 3.024 20 0 FGADHM O=C(Nc1nnc(-c2cc3ccccc3o2)[n-]1)c1ccc2nccnc2c1 ZINC000485137818 501734917 /nfs/dbraw/zinc/73/49/17/501734917.db2.gz YQMKBMUGBBLTGW-UHFFFAOYSA-N -1 3 356.345 3.413 20 0 FGADHM O=C(Nc1nc(-c2cc3ccccc3o2)n[n-]1)c1ccc2nccnc2c1 ZINC000485137818 501734921 /nfs/dbraw/zinc/73/49/21/501734921.db2.gz YQMKBMUGBBLTGW-UHFFFAOYSA-N -1 3 356.345 3.413 20 0 FGADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)c1ccc2nccnc2c1 ZINC000485137818 501734925 /nfs/dbraw/zinc/73/49/25/501734925.db2.gz YQMKBMUGBBLTGW-UHFFFAOYSA-N -1 3 356.345 3.413 20 0 FGADHM Cc1ccccc1-c1cc(=NC(=O)c2ccc3nnc(C(C)(C)C)n3c2)[nH][n-]1 ZINC000470586059 501735787 /nfs/dbraw/zinc/73/57/87/501735787.db2.gz ZJHDDKUZWRFAIH-UHFFFAOYSA-N -1 3 374.448 3.400 20 0 FGADHM CCc1cc(Br)ccc1NC(=O)c1c[n-]c(C(=O)OC)c1 ZINC000477611864 501736785 /nfs/dbraw/zinc/73/67/85/501736785.db2.gz CJNAUZOFQOUZLP-UHFFFAOYSA-N -1 3 351.200 3.379 20 0 FGADHM COC(=O)[C@@H]1CCC[C@@H](C(=O)Nc2nnc(-c3cc4ccccc4o3)[n-]2)C1 ZINC000485143119 501737090 /nfs/dbraw/zinc/73/70/90/501737090.db2.gz PNFIUWBCRAVVHK-CHWSQXEVSA-N -1 3 368.393 3.136 20 0 FGADHM COC(=O)[C@@H]1CCC[C@@H](C(=O)Nc2nc(-c3cc4ccccc4o3)n[n-]2)C1 ZINC000485143119 501737096 /nfs/dbraw/zinc/73/70/96/501737096.db2.gz PNFIUWBCRAVVHK-CHWSQXEVSA-N -1 3 368.393 3.136 20 0 FGADHM COC(=O)[C@@H]1CCC[C@@H](C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)C1 ZINC000485143119 501737105 /nfs/dbraw/zinc/73/71/05/501737105.db2.gz PNFIUWBCRAVVHK-CHWSQXEVSA-N -1 3 368.393 3.136 20 0 FGADHM COC(=O)c1c(F)ccc([N-]C(=O)c2occc2Br)c1F ZINC000485156422 501741904 /nfs/dbraw/zinc/74/19/04/501741904.db2.gz JRFYQWPWIIUVTI-UHFFFAOYSA-N -1 3 360.110 3.359 20 0 FGADHM CN(Cc1nc(C(F)(F)F)cs1)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000470660378 501758516 /nfs/dbraw/zinc/75/85/16/501758516.db2.gz BKSYJPFSQJLVSG-UHFFFAOYSA-N -1 3 367.352 3.276 20 0 FGADHM CC(C)(C)[C@@H]1CCC[C@H](NC(=O)c2cncc([N-]S(C)(=O)=O)c2)CC1 ZINC000474271001 501769040 /nfs/dbraw/zinc/76/90/40/501769040.db2.gz QJODUZUOYCZLBJ-CABCVRRESA-N -1 3 367.515 3.178 20 0 FGADHM CC(C)(C)c1n[nH]cc1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000481451085 501779164 /nfs/dbraw/zinc/77/91/64/501779164.db2.gz HGKWQLKKCMTVQT-UHFFFAOYSA-N -1 3 352.232 3.105 20 0 FGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(Br)cc1F ZINC000474325520 501790709 /nfs/dbraw/zinc/79/07/09/501790709.db2.gz IYAWXOGUUMCWRH-UHFFFAOYSA-N -1 3 372.219 3.366 20 0 FGADHM C[C@@H](NC(=O)c1c[n-]c2ccccc2c1=O)c1ccc(Br)cn1 ZINC000477802221 501791242 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C[C@H](NCc1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1)c1ccccc1Cl ZINC000482078809 501967947 /nfs/dbraw/zinc/96/79/47/501967947.db2.gz QMUBBPSCIOAQBD-BUXKBTBVSA-N -1 3 357.841 3.245 20 0 FGADHM CC[C@@H](C)[C@H](C)NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000602753808 506285241 /nfs/dbraw/zinc/28/52/41/506285241.db2.gz BAEUNMMAUQMNIZ-ZJUUUORDSA-N -1 3 351.244 3.455 20 0 FGADHM CCOC(=O)c1sc(NC(=O)CCCc2ccc([O-])c(F)c2)nc1C ZINC000471251768 501968715 /nfs/dbraw/zinc/96/87/15/501968715.db2.gz SBEZKYLAMXRECB-UHFFFAOYSA-N -1 3 366.414 3.434 20 0 FGADHM C[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(F)c(Br)c1 ZINC000464373407 501969595 /nfs/dbraw/zinc/96/95/95/501969595.db2.gz FALWAZHFVSUYLG-LURJTMIESA-N -1 3 364.158 3.207 20 0 FGADHM CCc1c(NC(=O)CCc2c(C)nc(C)[n-]c2=O)cnn1-c1ccccc1 ZINC000468186407 501982205 /nfs/dbraw/zinc/98/22/05/501982205.db2.gz MRHZDPMXEAFLIB-UHFFFAOYSA-N -1 3 365.437 3.118 20 0 FGADHM C[C@@H]1C[C@H](C)[C@H](C)N(C(=O)N=c2cc3ccc(Br)cn3[n-]2)C1 ZINC000482126665 501983064 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C[C@@H]1Oc2ccc(NC(=O)CCCc3ccc([O-])c(F)c3)cc2NC1=O ZINC000468527080 502092879 /nfs/dbraw/zinc/09/28/79/502092879.db2.gz GJDQRGKFBNSCON-NSHDSACASA-N -1 3 358.369 3.212 20 0 FGADHM CCc1cc(C(=O)N[C@H]2CC(=O)N(c3ccccc3Cl)C2)ccc1[O-] ZINC000486235938 502093461 /nfs/dbraw/zinc/09/34/61/502093461.db2.gz SAMMTWBKZOMAAK-AWEZNQCLSA-N -1 3 358.825 3.143 20 0 FGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]C1(c2cccc(F)c2)CC1 ZINC000486253865 502100850 /nfs/dbraw/zinc/10/08/50/502100850.db2.gz SVIRNNCZHMCRLK-UHFFFAOYSA-N -1 3 355.818 3.455 20 0 FGADHM O=S(=O)(Cc1ncc(Cl)s1)c1nc(CCC2CCCC2)n[n-]1 ZINC000478836229 502101074 /nfs/dbraw/zinc/10/10/74/502101074.db2.gz BUOSKYPWRNUMDY-UHFFFAOYSA-N -1 3 360.892 3.011 20 0 FGADHM O=S(=O)(Cc1ncc(Cl)s1)c1nnc(CCC2CCCC2)[n-]1 ZINC000478836229 502101081 /nfs/dbraw/zinc/10/10/81/502101081.db2.gz BUOSKYPWRNUMDY-UHFFFAOYSA-N -1 3 360.892 3.011 20 0 FGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]CCO[C@H]1CCCC[C@H]1C ZINC000486254854 502101577 /nfs/dbraw/zinc/10/15/77/502101577.db2.gz TXSJHGLFJQNUEO-OCCSQVGLSA-N -1 3 361.891 3.222 20 0 FGADHM COC(=O)c1csc(S(=O)(=O)[N-]CC2CC(c3ccccc3)C2)c1 ZINC000582558564 506293655 /nfs/dbraw/zinc/29/36/55/506293655.db2.gz PWRZUYMCQHHGSA-UHFFFAOYSA-N -1 3 365.476 3.007 20 0 FGADHM Cn1c(=O)[nH]c2ncc(-c3cccc(C(=O)Nc4ccccc4[O-])c3)cc21 ZINC000475241521 502106585 /nfs/dbraw/zinc/10/65/85/502106585.db2.gz IZNCOLMCBWZIGR-UHFFFAOYSA-N -1 3 360.373 3.299 20 0 FGADHM COc1ccccc1[C@H](CNC(=O)CCCc1ccc([O-])c(F)c1)N(C)C ZINC000468562685 502107726 /nfs/dbraw/zinc/10/77/26/502107726.db2.gz BPYQFIGRQJVPSH-SFHVURJKSA-N -1 3 374.456 3.282 20 0 FGADHM CSCCCCC[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000478903834 502117170 /nfs/dbraw/zinc/11/71/70/502117170.db2.gz FEEGLVGASCAQII-UHFFFAOYSA-N -1 3 370.309 3.400 20 0 FGADHM CCCC[C@H](CCC)NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000482610477 502125522 /nfs/dbraw/zinc/12/55/22/502125522.db2.gz CCAUYSDDBBYXDK-NSHDSACASA-N -1 3 366.936 3.155 20 0 FGADHM COc1cc(C(=O)N(C)Cc2c(F)cccc2Cl)cc(OC)c1[O-] ZINC000478938877 502126633 /nfs/dbraw/zinc/12/66/33/502126633.db2.gz XBDFSXZBTQROQM-UHFFFAOYSA-N -1 3 353.777 3.474 20 0 FGADHM C[N-]S(=O)(=O)c1cc(NC(=O)N2CCC[C@H](CC(C)C)C2)ccc1F ZINC000486345903 502128912 /nfs/dbraw/zinc/12/89/12/502128912.db2.gz NIFSLWKSBKALHY-CYBMUJFWSA-N -1 3 371.478 3.024 20 0 FGADHM C[N-]S(=O)(=O)c1cc(NC(=O)NC2CCC(C(C)C)CC2)ccc1F ZINC000486406437 502145043 /nfs/dbraw/zinc/14/50/43/502145043.db2.gz NPLPXVJHGLMRMC-UHFFFAOYSA-N -1 3 371.478 3.070 20 0 FGADHM CCc1cc(NC(=O)NCCCNC(=O)c2cccc([O-])c2)ccc1F ZINC000486416856 502147450 /nfs/dbraw/zinc/14/74/50/502147450.db2.gz DZGGLBWTUMXBQD-UHFFFAOYSA-N -1 3 359.401 3.035 20 0 FGADHM Cc1cccc2c(=O)c(C(=O)Nc3ccc4c(c3)NC(=O)CS4)c[n-]c12 ZINC000482683656 502151040 /nfs/dbraw/zinc/15/10/40/502151040.db2.gz YPTXBFHGAOAPOZ-UHFFFAOYSA-N -1 3 365.414 3.133 20 0 FGADHM Fc1ccc(Br)cc1-c1n[n-]c(=NCCN2CCCC2)s1 ZINC000468698490 502151565 /nfs/dbraw/zinc/15/15/65/502151565.db2.gz LZNFFXPKDRMJBS-UHFFFAOYSA-N -1 3 371.279 3.036 20 0 FGADHM Cn1c2cc([O-])c(NC(=O)C(C)(C)c3cccc(Cl)c3)cc2n(C)c1=O ZINC000461617366 502154532 /nfs/dbraw/zinc/15/45/32/502154532.db2.gz KEBXWJLKLILCFT-UHFFFAOYSA-N -1 3 373.840 3.152 20 0 FGADHM Cn1c(=O)n(C)c2cc(NC(=O)c3cc(Cl)sc3Cl)c([O-])cc21 ZINC000461626074 502158297 /nfs/dbraw/zinc/15/82/97/502158297.db2.gz KSKATZVRDGWTGQ-UHFFFAOYSA-N -1 3 372.233 3.203 20 0 FGADHM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)Nc2ccc(CN(C)C)cc2)n1 ZINC000468733877 502163296 /nfs/dbraw/zinc/16/32/96/502163296.db2.gz MWRCZSYCKHWULI-UHFFFAOYSA-N -1 3 368.412 3.339 20 0 FGADHM CCc1cc(C(=O)N(CCOC)c2ccc(OC)c(OC)c2)ccc1[O-] ZINC000486474718 502163989 /nfs/dbraw/zinc/16/39/89/502163989.db2.gz AGKHRKOABDRHAR-UHFFFAOYSA-N -1 3 359.422 3.265 20 0 FGADHM COC(=O)c1ccc([C@@H]([N-]C(=O)[C@@H](C)C(F)(F)F)C(F)(F)F)cc1 ZINC000479114187 502167671 /nfs/dbraw/zinc/16/76/71/502167671.db2.gz GIECBUALBXVKBT-GMSGAONNSA-N -1 3 357.250 3.391 20 0 FGADHM COC(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccc3ncsc3c2)c1 ZINC000479139658 502174588 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Cn1cc(Nc2cccc(NC(=O)c3cn[n-]c3-c3ccncc3)c2)cn1 ZINC000468834774 502199996 /nfs/dbraw/zinc/19/99/96/502199996.db2.gz FGEDLBOOQDYIDP-UHFFFAOYSA-N -1 3 359.393 3.201 20 0 FGADHM COc1cccc(N2CC[C@@H](NC(=O)CCCc3ccc([O-])c(F)c3)C2)c1 ZINC000468843550 502202873 /nfs/dbraw/zinc/20/28/73/502202873.db2.gz HBOHCXDUZYXORO-MRXNPFEDSA-N -1 3 372.440 3.258 20 0 FGADHM CC(C)C[C@@H](NC(=O)NCc1nnc(C(F)(F)F)[n-]1)c1cccs1 ZINC000482883779 502206015 /nfs/dbraw/zinc/20/60/15/502206015.db2.gz BBYWKANWXMCNTI-SECBINFHSA-N -1 3 361.393 3.472 20 0 FGADHM CC(C)C[C@@H](NC(=O)NCc1n[n-]c(C(F)(F)F)n1)c1cccs1 ZINC000482883779 502206020 /nfs/dbraw/zinc/20/60/20/502206020.db2.gz BBYWKANWXMCNTI-SECBINFHSA-N -1 3 361.393 3.472 20 0 FGADHM CC(C)C[C@@H](NC(=O)NCc1nc(C(F)(F)F)n[n-]1)c1cccs1 ZINC000482883779 502206024 /nfs/dbraw/zinc/20/60/24/502206024.db2.gz BBYWKANWXMCNTI-SECBINFHSA-N -1 3 361.393 3.472 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)NCCCCc2ccc(F)c(F)c2)c1 ZINC000479259272 502208030 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O=S(=O)([N-][C@H]1CCN(c2ccc(Cl)c(F)c2)C1)c1ccccc1F ZINC000479381423 502240995 /nfs/dbraw/zinc/24/09/95/502240995.db2.gz AEIDZHMEFSMJFG-NSHDSACASA-N -1 3 372.824 3.175 20 0 FGADHM CC(C)Oc1cc(F)ccc1NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000486793480 502263850 /nfs/dbraw/zinc/26/38/50/502263850.db2.gz GUNUOAVUNKCIDG-UHFFFAOYSA-N -1 3 357.341 3.141 20 0 FGADHM CCc1cc(C(=O)NCCOc2cccc(C(F)(F)F)n2)ccc1[O-] ZINC000486801906 502267974 /nfs/dbraw/zinc/26/79/74/502267974.db2.gz OIPRGQWNNFTJDH-UHFFFAOYSA-N -1 3 354.328 3.177 20 0 FGADHM COC[C@H](C)[C@@H](C)C(=O)N=c1cc(-c2cc(Cl)ccc2OC)[n-][nH]1 ZINC000462020821 502276769 /nfs/dbraw/zinc/27/67/69/502276769.db2.gz QRXJMICGEMJPJD-WDEREUQCSA-N -1 3 351.834 3.018 20 0 FGADHM Cc1ccc(OC(F)F)c(C[N-]S(=O)(=O)c2cc(F)ccc2F)c1 ZINC000465498062 502279831 /nfs/dbraw/zinc/27/98/31/502279831.db2.gz GHFIDDDRJIJQIG-UHFFFAOYSA-N -1 3 363.332 3.353 20 0 FGADHM O=S(=O)([N-][C@H]1[C@@H]2CCC[C@@H]21)c1ccc(Br)cc1Cl ZINC000486848603 502283086 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FGADHM COc1ccc(S(=O)(=O)[N-]CCC2CCOCC2)c(Cl)c1Cl ZINC000462126555 502316323 /nfs/dbraw/zinc/31/63/23/502316323.db2.gz FVNWUVDFNFALEU-UHFFFAOYSA-N -1 3 368.282 3.097 20 0 FGADHM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(OC)cc2F)c1 ZINC000479613331 502319285 /nfs/dbraw/zinc/31/92/85/502319285.db2.gz DYXRBSSGNFLWNF-UHFFFAOYSA-N -1 3 373.789 3.075 20 0 FGADHM Cc1sc(C[N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)nc1C(C)C ZINC000462142875 502322425 /nfs/dbraw/zinc/32/24/25/502322425.db2.gz UJBSAHSWRQVOFT-UHFFFAOYSA-N -1 3 364.414 3.471 20 0 FGADHM COc1ccc([C@@H](NC(=O)c2csc(=O)[n-]2)c2ccccc2OC)cc1 ZINC000472411372 502344655 /nfs/dbraw/zinc/34/46/55/502344655.db2.gz FRDZEBPGJBRJCH-QGZVFWFLSA-N -1 3 370.430 3.385 20 0 FGADHM CCCn1c(=O)[n-]nc1SCC(=O)Cc1ccc(Br)cc1 ZINC000475966601 502346034 /nfs/dbraw/zinc/34/60/34/502346034.db2.gz MOVNDBYFUOHERR-UHFFFAOYSA-N -1 3 370.272 3.060 20 0 FGADHM CC(C)[C@@H]1OCCC[C@@H]1C[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000487092624 502356993 /nfs/dbraw/zinc/35/69/93/502356993.db2.gz XTXWVPNNEZEJAD-DOMZBBRYSA-N -1 3 365.417 3.435 20 0 FGADHM O=C(CCSc1cccc(Cl)c1)NCc1nnc(C(F)(F)F)[n-]1 ZINC000487098224 502358783 /nfs/dbraw/zinc/35/87/83/502358783.db2.gz IZPGPUDAICGICC-UHFFFAOYSA-N -1 3 364.780 3.276 20 0 FGADHM O=C(CCSc1cccc(Cl)c1)NCc1n[n-]c(C(F)(F)F)n1 ZINC000487098224 502358790 /nfs/dbraw/zinc/35/87/90/502358790.db2.gz IZPGPUDAICGICC-UHFFFAOYSA-N -1 3 364.780 3.276 20 0 FGADHM O=C(CCSc1cccc(Cl)c1)NCc1nc(C(F)(F)F)n[n-]1 ZINC000487098224 502358796 /nfs/dbraw/zinc/35/87/96/502358796.db2.gz IZPGPUDAICGICC-UHFFFAOYSA-N -1 3 364.780 3.276 20 0 FGADHM C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1nnc(-c2c(F)cccc2F)[n-]1 ZINC000479747851 502364526 /nfs/dbraw/zinc/36/45/26/502364526.db2.gz DBEQNHKFNSVIMS-SECBINFHSA-N -1 3 362.311 3.295 20 0 FGADHM C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1nc(-c2c(F)cccc2F)n[n-]1 ZINC000479747851 502364528 /nfs/dbraw/zinc/36/45/28/502364528.db2.gz DBEQNHKFNSVIMS-SECBINFHSA-N -1 3 362.311 3.295 20 0 FGADHM C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1n[n-]c(-c2c(F)cccc2F)n1 ZINC000479747851 502364531 /nfs/dbraw/zinc/36/45/31/502364531.db2.gz DBEQNHKFNSVIMS-SECBINFHSA-N -1 3 362.311 3.295 20 0 FGADHM O=C(Nc1ccc([O-])cc1F)[C@@H]1Cc2cc(Br)ccc2O1 ZINC000472500014 502370873 /nfs/dbraw/zinc/37/08/73/502370873.db2.gz NAFLDNULCREUJW-AWEZNQCLSA-N -1 3 352.159 3.236 20 0 FGADHM Cc1ccc(-c2nnc(NC(=O)c3ccnc(N4CCC[C@H](C)C4)c3)[n-]2)o1 ZINC000462263057 502371414 /nfs/dbraw/zinc/37/14/14/502371414.db2.gz ZYEITYCCIPQNRR-LBPRGKRZSA-N -1 3 366.425 3.257 20 0 FGADHM Cc1ccc(-c2n[n-]c(NC(=O)c3ccnc(N4CCC[C@H](C)C4)c3)n2)o1 ZINC000462263057 502371417 /nfs/dbraw/zinc/37/14/17/502371417.db2.gz ZYEITYCCIPQNRR-LBPRGKRZSA-N -1 3 366.425 3.257 20 0 FGADHM Cc1ccc(-c2nc(NC(=O)c3ccnc(N4CCC[C@H](C)C4)c3)n[n-]2)o1 ZINC000462263057 502371420 /nfs/dbraw/zinc/37/14/20/502371420.db2.gz ZYEITYCCIPQNRR-LBPRGKRZSA-N -1 3 366.425 3.257 20 0 FGADHM Cc1ccc(OCCCC(=O)N=c2cc(-c3ccncc3)[n-][nH]2)cc1C ZINC000472528310 502378430 /nfs/dbraw/zinc/37/84/30/502378430.db2.gz OWADUZRXKFUHCQ-UHFFFAOYSA-N -1 3 350.422 3.308 20 0 FGADHM CC[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000476102725 502385091 /nfs/dbraw/zinc/38/50/91/502385091.db2.gz LITPJJBXKFBEIZ-WFASDCNBSA-N -1 3 368.474 3.421 20 0 FGADHM COC(=O)[C@H]1c2ccccc2CCN1C(=O)CCCc1ccc([O-])c(F)c1 ZINC000469413434 502406590 /nfs/dbraw/zinc/40/65/90/502406590.db2.gz GADSXPYKYYTPFC-HXUWFJFHSA-N -1 3 371.408 3.153 20 0 FGADHM CCOC(=O)[C@@H](CNC(=O)CCCc1ccc([O-])c(F)c1)c1ccccc1 ZINC000469420358 502408786 /nfs/dbraw/zinc/40/87/86/502408786.db2.gz OYUKZTRLVIWRDX-KRWDZBQOSA-N -1 3 373.424 3.317 20 0 FGADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)Nc1ccccc1OC(F)(F)F ZINC000479916407 502419092 /nfs/dbraw/zinc/41/90/92/502419092.db2.gz SWEYXBQVHKFLHM-UHFFFAOYSA-N -1 3 369.225 3.044 20 0 FGADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)Nc1ccccc1OC(F)(F)F ZINC000479916407 502419096 /nfs/dbraw/zinc/41/90/96/502419096.db2.gz SWEYXBQVHKFLHM-UHFFFAOYSA-N -1 3 369.225 3.044 20 0 FGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)Nc1ccccc1OC(F)(F)F ZINC000479916407 502419100 /nfs/dbraw/zinc/41/91/00/502419100.db2.gz SWEYXBQVHKFLHM-UHFFFAOYSA-N -1 3 369.225 3.044 20 0 FGADHM Cc1csc([C@H]([N-]S(=O)(=O)c2cccc3ncccc32)C2CC2)n1 ZINC000462393573 502420140 /nfs/dbraw/zinc/42/01/40/502420140.db2.gz KSEANEPKWWNRKI-MRXNPFEDSA-N -1 3 359.476 3.429 20 0 FGADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000483552670 502429067 /nfs/dbraw/zinc/42/90/67/502429067.db2.gz OSHOHLASFHZEQU-JTQLQIEISA-N -1 3 373.766 3.176 20 0 FGADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000483552670 502429070 /nfs/dbraw/zinc/42/90/70/502429070.db2.gz OSHOHLASFHZEQU-JTQLQIEISA-N -1 3 373.766 3.176 20 0 FGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000483552670 502429072 /nfs/dbraw/zinc/42/90/72/502429072.db2.gz OSHOHLASFHZEQU-JTQLQIEISA-N -1 3 373.766 3.176 20 0 FGADHM CCc1cc(C(=O)N[C@](C)(CC(=O)OC)c2cccc(OC)c2)ccc1[O-] ZINC000487398463 502434432 /nfs/dbraw/zinc/43/44/32/502434432.db2.gz WIIGYVHSFSPMSE-OAQYLSRUSA-N -1 3 371.433 3.172 20 0 FGADHM Cc1cc(Br)c(S(=O)(=O)[N-]Cc2cccc(F)c2)s1 ZINC000462436814 502438768 /nfs/dbraw/zinc/43/87/68/502438768.db2.gz PDIVZEKTFFINSC-UHFFFAOYSA-N -1 3 364.261 3.437 20 0 FGADHM COc1ccc(NC(=O)CC[S@](=O)c2ccc([O-])cc2)cc1Cl ZINC000480005093 502442469 /nfs/dbraw/zinc/44/24/69/502442469.db2.gz GACQYQCTEOXIMC-QHCPKHFHSA-N -1 3 353.827 3.191 20 0 FGADHM CCC1(C[N-]S(=O)(=O)c2cc(Cl)ccc2OCCCOC)CC1 ZINC000476312281 502452063 /nfs/dbraw/zinc/45/20/63/502452063.db2.gz INAYKJLUQQLGJT-UHFFFAOYSA-N -1 3 361.891 3.224 20 0 FGADHM Cc1cccc(F)c1S(=O)(=O)[N-]C[C@@H]1SCCc2ccccc21 ZINC000476327486 502457194 /nfs/dbraw/zinc/45/71/94/502457194.db2.gz OUTGNYSLYUQSEZ-INIZCTEOSA-N -1 3 351.468 3.443 20 0 FGADHM CN(CC1CC1)C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000469571177 502467898 /nfs/dbraw/zinc/46/78/98/502467898.db2.gz RTDMHEADTWIWTR-UHFFFAOYSA-N -1 3 369.646 3.426 20 0 FGADHM CN(CC1CC1)C(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000469571177 502467903 /nfs/dbraw/zinc/46/79/03/502467903.db2.gz RTDMHEADTWIWTR-UHFFFAOYSA-N -1 3 369.646 3.426 20 0 FGADHM Cc1nnc([N-]C(=O)c2cc(-c3ccccc3C(F)(F)F)on2)n1C ZINC000462600468 502501958 /nfs/dbraw/zinc/50/19/58/502501958.db2.gz FZPCEJLEDUSLCM-UHFFFAOYSA-N -1 3 351.288 3.050 20 0 FGADHM COc1ccccc1OC[C@H](C)C[N-]S(=O)(=O)c1c(C)cccc1F ZINC000476502015 502506798 /nfs/dbraw/zinc/50/67/98/502506798.db2.gz BWAUVKLRLYOIJY-CYBMUJFWSA-N -1 3 367.442 3.136 20 0 FGADHM COc1ccc([C@H](OC)[C@H](C)[N-]S(=O)(=O)c2c(C)cccc2F)cc1 ZINC000476532195 502516695 /nfs/dbraw/zinc/51/66/95/502516695.db2.gz IMAVSKWWEVMUBU-SUMWQHHRSA-N -1 3 367.442 3.197 20 0 FGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)Cc2cn(C)c3ccccc23)c1 ZINC000607915210 506318439 /nfs/dbraw/zinc/31/84/39/506318439.db2.gz PNTKSJDVRINMQX-UHFFFAOYSA-N -1 3 371.462 3.039 20 0 FGADHM O=C(Cc1cccc(Cl)c1)N1CCN(Cc2cc([O-])cc(F)c2)CC1 ZINC000473140130 502526161 /nfs/dbraw/zinc/52/61/61/502526161.db2.gz CISSSYHEXRTRGI-UHFFFAOYSA-N -1 3 362.832 3.072 20 0 FGADHM CC(C)(C)c1cc(NCc2nnc(C(F)(F)F)[n-]2)nc(C(C)(C)C)n1 ZINC000480286354 502526352 /nfs/dbraw/zinc/52/63/52/502526352.db2.gz HCKNNKWVOQABMB-UHFFFAOYSA-N -1 3 356.396 3.243 20 0 FGADHM CC(C)(C)c1cc(NCc2n[n-]c(C(F)(F)F)n2)nc(C(C)(C)C)n1 ZINC000480286354 502526357 /nfs/dbraw/zinc/52/63/57/502526357.db2.gz HCKNNKWVOQABMB-UHFFFAOYSA-N -1 3 356.396 3.243 20 0 FGADHM CC(C)(C)c1cc(NCc2nc(C(F)(F)F)n[n-]2)nc(C(C)(C)C)n1 ZINC000480286354 502526360 /nfs/dbraw/zinc/52/63/60/502526360.db2.gz HCKNNKWVOQABMB-UHFFFAOYSA-N -1 3 356.396 3.243 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]CCC(F)(F)F)c(Cl)c1Cl ZINC000462667271 502528885 /nfs/dbraw/zinc/52/88/85/502528885.db2.gz QFVXCPNDTLWKSR-UHFFFAOYSA-N -1 3 352.161 3.233 20 0 FGADHM CCC[C@@H]([N-]S(=O)(=O)C[C@@H](C)c1ccccc1)C(=O)OC(C)(C)C ZINC000462692800 502535833 /nfs/dbraw/zinc/53/58/33/502535833.db2.gz YKSUNQAGHJHTMH-GDBMZVCRSA-N -1 3 355.500 3.220 20 0 FGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]CCCC(=O)OC(C)C)c1Cl ZINC000462693435 502536088 /nfs/dbraw/zinc/53/60/88/502536088.db2.gz RUNWKENLBQAQLC-UHFFFAOYSA-N -1 3 368.282 3.312 20 0 FGADHM [O-]c1cc(F)cc(CNCc2cc(Cl)ccc2N2CCOCC2)c1 ZINC000466362288 502548155 /nfs/dbraw/zinc/54/81/55/502548155.db2.gz LFNWUHMSRIJSCI-UHFFFAOYSA-N -1 3 350.821 3.311 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]Cc2c(C)c3ccccc3n2C)c(F)c1 ZINC000480447919 502572629 /nfs/dbraw/zinc/57/26/29/502572629.db2.gz LLOSZYGYILRZKI-UHFFFAOYSA-N -1 3 362.426 3.113 20 0 FGADHM FC(F)(F)c1csc(=NCCCCn2cc(Br)cn2)[n-]1 ZINC000480502062 502585091 /nfs/dbraw/zinc/58/50/91/502585091.db2.gz UHFAFWWPALUQHW-UHFFFAOYSA-N -1 3 369.210 3.435 20 0 FGADHM CCOc1nc2ccc(C(=O)Nc3cccc(-c4ncn(C)n4)c3)cc2[n-]1 ZINC000469894764 502587487 /nfs/dbraw/zinc/58/74/87/502587487.db2.gz YWNQFXILBVDCQK-UHFFFAOYSA-N -1 3 362.393 3.009 20 0 FGADHM CCOc1nc2cc(C(=O)Nc3cccc(-c4ncn(C)n4)c3)ccc2[n-]1 ZINC000469894764 502587490 /nfs/dbraw/zinc/58/74/90/502587490.db2.gz YWNQFXILBVDCQK-UHFFFAOYSA-N -1 3 362.393 3.009 20 0 FGADHM CCOc1nc2cc(C(=O)N[C@@H](C)[C@H]3COc4ccccc43)ccc2[n-]1 ZINC000469898047 502589202 /nfs/dbraw/zinc/58/92/02/502589202.db2.gz GBOKBWIWMGDEOO-SWLSCSKDSA-N -1 3 351.406 3.256 20 0 FGADHM CCOc1nc2ccc(C(=O)N[C@@H](C)[C@H]3COc4ccccc43)cc2[n-]1 ZINC000469898047 502589207 /nfs/dbraw/zinc/58/92/07/502589207.db2.gz GBOKBWIWMGDEOO-SWLSCSKDSA-N -1 3 351.406 3.256 20 0 FGADHM O=S(=O)(Cc1ccc(F)c(Cl)c1)[N-][C@@H]1COc2ccc(F)cc21 ZINC000466544121 502601561 /nfs/dbraw/zinc/60/15/61/502601561.db2.gz NGXLNZITRQVQPX-CQSZACIVSA-N -1 3 359.781 3.171 20 0 FGADHM CCOc1ccc(S(=O)(=O)[N-]c2cc(OC)c(OC)cc2F)cc1C ZINC000592986593 506323809 /nfs/dbraw/zinc/32/38/09/506323809.db2.gz HRHVQTUVXXYPEL-UHFFFAOYSA-N -1 3 369.414 3.351 20 0 FGADHM C[C@]1(C[N-]S(=O)(=O)c2cccc(Cl)c2Cl)CCO[C@@H]1C1CC1 ZINC000466586237 502617122 /nfs/dbraw/zinc/61/71/22/502617122.db2.gz NCYFSUOPBUCOGW-HUUCEWRRSA-N -1 3 364.294 3.477 20 0 FGADHM COCCC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000480632533 502628638 /nfs/dbraw/zinc/62/86/38/502628638.db2.gz SCUXNOZGGHKWSK-INIZCTEOSA-N -1 3 368.886 3.051 20 0 FGADHM COC(=O)c1ccc(Cl)c(CN2C[C@H](C(=O)[O-])[C@@H](c3ccccc3)C2)c1 ZINC000592992106 506325170 /nfs/dbraw/zinc/32/51/70/506325170.db2.gz VBKRNJUWCKUCGR-SJORKVTESA-N -1 3 373.836 3.427 20 0 FGADHM CCc1ccc([O-])c(C(=O)N2CCC[C@@H]2c2nc(C(=O)OC)c(C)s2)c1 ZINC000473545028 502631492 /nfs/dbraw/zinc/63/14/92/502631492.db2.gz DTROCNMDNFKMFS-CQSZACIVSA-N -1 3 374.462 3.483 20 0 FGADHM CSC1(C(=O)N=c2cc(-c3cc(F)cc(Br)c3)[n-][nH]2)CC1 ZINC000476957637 502633123 /nfs/dbraw/zinc/63/31/23/502633123.db2.gz DKSICKPQHXHGDK-UHFFFAOYSA-N -1 3 370.247 3.234 20 0 FGADHM COC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)Cc2ccccc2C)s1 ZINC000476978063 502638925 /nfs/dbraw/zinc/63/89/25/502638925.db2.gz ILCNWLBDMVXODC-UHFFFAOYSA-N -1 3 367.492 3.143 20 0 FGADHM CC(C)c1cc(C(=O)N[C@@H](CO)Cc2ccncc2)c([O-])c(C(C)C)c1 ZINC000476981606 502639968 /nfs/dbraw/zinc/63/99/68/502639968.db2.gz JFFGREURMWYLOZ-QGZVFWFLSA-N -1 3 356.466 3.367 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]Cc2ccc(C)cc2SC)c(F)c1 ZINC000480723191 502653130 /nfs/dbraw/zinc/65/31/30/502653130.db2.gz CRGUEMVLAJCNIF-UHFFFAOYSA-N -1 3 355.456 3.343 20 0 FGADHM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]CCC=C(C)C ZINC000480728802 502655513 /nfs/dbraw/zinc/65/55/13/502655513.db2.gz HNXCKFAZUGJETL-ZDUSSCGKSA-N -1 3 361.891 3.388 20 0 FGADHM Cc1ccc(-n2nc(C(=O)NCc3ncccc3[O-])c3c2CCCC3)cc1 ZINC000473629765 502660427 /nfs/dbraw/zinc/66/04/27/502660427.db2.gz KSTWBTJUOFSFDO-UHFFFAOYSA-N -1 3 362.433 3.090 20 0 FGADHM COc1ccc(C(=O)CCCCCC(=O)NCc2ncccc2[O-])cc1 ZINC000473632678 502660922 /nfs/dbraw/zinc/66/09/22/502660922.db2.gz CQYFMYMJUYRBIJ-UHFFFAOYSA-N -1 3 356.422 3.245 20 0 FGADHM Cc1cccc(S(=O)(=O)[N-]C[C@@](C)(Cc2ccccc2)[C@H](C)O)c1F ZINC000480751937 502661837 /nfs/dbraw/zinc/66/18/37/502661837.db2.gz RYODATAKIPXJJU-HNAYVOBHSA-N -1 3 365.470 3.042 20 0 FGADHM CN(Cc1ccccc1)Cc1cccc(C(=O)NCc2ncccc2[O-])c1 ZINC000473636420 502662843 /nfs/dbraw/zinc/66/28/43/502662843.db2.gz FTOHWDOFHNMWSP-UHFFFAOYSA-N -1 3 361.445 3.349 20 0 FGADHM COC(=O)c1c(C)nc(=O)[n-]c1SCC[C@H](C)OCc1ccccc1 ZINC000473657678 502669650 /nfs/dbraw/zinc/66/96/50/502669650.db2.gz FWPRHQIRVQWLIE-LBPRGKRZSA-N -1 3 362.451 3.365 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]C[C@@](C)(O)C2CCCCC2)sc1Cl ZINC000480853612 502689769 /nfs/dbraw/zinc/68/97/69/502689769.db2.gz REXRTGIRRYGLLP-CQSZACIVSA-N -1 3 351.921 3.320 20 0 FGADHM COCc1ccccc1S(=O)(=O)[N-]c1cc2c(cc1Cl)OCO2 ZINC000484647782 502695553 /nfs/dbraw/zinc/69/55/53/502695553.db2.gz WSDSBSZNYNFSEX-UHFFFAOYSA-N -1 3 355.799 3.016 20 0 FGADHM CO[C@@H](C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)C(C)(C)C ZINC000466880649 502712535 /nfs/dbraw/zinc/71/25/35/502712535.db2.gz BJLCPXWSGRYACU-LBPRGKRZSA-N -1 3 357.369 3.184 20 0 FGADHM CO[C@@]1(C)C[C@H]([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)C1(C)C ZINC000466891445 502716843 /nfs/dbraw/zinc/71/68/43/502716843.db2.gz JSOVHQVIVRLLLQ-JSGCOSHPSA-N -1 3 369.380 3.326 20 0 FGADHM CO[C@@H](C[N-]S(=O)(=O)c1ccc(-c2csc(C)n2)s1)C(C)C ZINC000480985181 502721019 /nfs/dbraw/zinc/72/10/19/502721019.db2.gz SRZOLBRCTIJGHP-LBPRGKRZSA-N -1 3 360.526 3.129 20 0 FGADHM Cc1cc(C(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)nn1-c1ccc(Cl)cc1 ZINC000473850168 502723463 /nfs/dbraw/zinc/72/34/63/502723463.db2.gz ZQHVGMHQBICDGL-MRXNPFEDSA-N -1 3 371.828 3.083 20 0 FGADHM COc1ccc(S(=O)(=O)[N-][C@@H]2CCCOc3ccccc32)c(F)c1 ZINC000481022420 502731117 /nfs/dbraw/zinc/73/11/17/502731117.db2.gz UCFIOYMRCAMXJB-OAHLLOKOSA-N -1 3 351.399 3.027 20 0 FGADHM C[C@@H](C1CC1)n1nccc1NC(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000484758539 502732636 /nfs/dbraw/zinc/73/26/36/502732636.db2.gz OEJFXVMELFVJLS-VIFPVBQESA-N -1 3 358.348 3.226 20 0 FGADHM C[C@@H](C1CC1)n1nccc1NC(=O)c1cnc2c(F)cc(F)cc2c1[O-] ZINC000484758539 502732640 /nfs/dbraw/zinc/73/26/40/502732640.db2.gz OEJFXVMELFVJLS-VIFPVBQESA-N -1 3 358.348 3.226 20 0 FGADHM COc1ccc(NC(=O)Cc2ccc(Br)cc2[O-])c(OC)c1 ZINC000477308823 502737563 /nfs/dbraw/zinc/73/75/63/502737563.db2.gz OIRFMXPWRKSVII-UHFFFAOYSA-N -1 3 366.211 3.353 20 0 FGADHM C[C@@H]1CC(C)(C)CC[C@@H]1[N-]S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC000484784910 502740418 /nfs/dbraw/zinc/74/04/18/502740418.db2.gz MPKGTPQSTROVFG-RISCZKNCSA-N -1 3 368.474 3.204 20 0 FGADHM CCCC[C@H](CCC)[N-]S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC000484797877 502742058 /nfs/dbraw/zinc/74/20/58/502742058.db2.gz PRFKIASQGVXXPP-ZDUSSCGKSA-N -1 3 356.463 3.348 20 0 FGADHM COc1cc(OC)c(CN[C@H](CSCC=C(C)C)C(=O)[O-])cc1F ZINC000593006025 506331529 /nfs/dbraw/zinc/33/15/29/506331529.db2.gz CTJXMZCVCLOYGK-CQSZACIVSA-N -1 3 357.447 3.085 20 0 FGADHM CCc1cc(C(=O)N(C)CC(=O)N(C)[C@H](C)c2ccccc2)ccc1[O-] ZINC000488559125 502750856 /nfs/dbraw/zinc/75/08/56/502750856.db2.gz ARRGSYHDMLVJQR-OAHLLOKOSA-N -1 3 354.450 3.246 20 0 FGADHM CCc1cc(=O)[n-]c(CS[C@@H](C)C(=O)Nc2cc(C)ccc2OC)n1 ZINC000477356275 502752217 /nfs/dbraw/zinc/75/22/17/502752217.db2.gz YCZBQXHABJDQGJ-LBPRGKRZSA-N -1 3 361.467 3.322 20 0 FGADHM CCCN(CC)c1ccc(C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)cc1 ZINC000473932457 502754232 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504812998 /nfs/dbraw/zinc/81/29/98/504812998.db2.gz RPTFKMVZGYHRTE-SANMLTNESA-N -1 3 374.441 3.397 20 0 FGADHM CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)c2cc(F)cc3nn[n-]c32)c1 ZINC000562416307 504813003 /nfs/dbraw/zinc/81/30/03/504813003.db2.gz RPTFKMVZGYHRTE-SANMLTNESA-N -1 3 374.441 3.397 20 0 FGADHM CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)c2cc(F)cc3n[n-]nc32)c1 ZINC000562416307 504813009 /nfs/dbraw/zinc/81/30/09/504813009.db2.gz RPTFKMVZGYHRTE-SANMLTNESA-N -1 3 374.441 3.397 20 0 FGADHM O=C(NCCn1ccc2cc(Cl)ccc21)c1cc(F)cc2nn[n-]c21 ZINC000553067407 504818931 /nfs/dbraw/zinc/81/89/31/504818931.db2.gz RPPHTSYSBLURBX-UHFFFAOYSA-N -1 3 357.776 3.135 20 0 FGADHM O=C(NCCn1ccc2cc(Cl)ccc21)c1cc(F)cc2[n-]nnc21 ZINC000553067407 504818932 /nfs/dbraw/zinc/81/89/32/504818932.db2.gz RPPHTSYSBLURBX-UHFFFAOYSA-N -1 3 357.776 3.135 20 0 FGADHM O=C(NCCn1ccc2cc(Cl)ccc21)c1cc(F)cc2n[n-]nc21 ZINC000553067407 504818933 /nfs/dbraw/zinc/81/89/33/504818933.db2.gz RPPHTSYSBLURBX-UHFFFAOYSA-N -1 3 357.776 3.135 20 0 FGADHM 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/nfs/dbraw/zinc/20/84/44/505208444.db2.gz QONMQKSZEHPCDQ-HKUYNNGSSA-N -1 3 358.482 3.426 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)c1nc2c(s1)CCC2 ZINC000563691173 505213100 /nfs/dbraw/zinc/21/31/00/505213100.db2.gz HLZIUAKXAHVKLM-QMMMGPOBSA-N -1 3 360.863 3.464 20 0 FGADHM CS(=O)(=O)c1ccc(C(=O)[N-]c2ccc3c(Cl)cccc3n2)o1 ZINC000563709566 505217271 /nfs/dbraw/zinc/21/72/71/505217271.db2.gz NYOFNDRPPDBWFZ-UHFFFAOYSA-N -1 3 350.783 3.137 20 0 FGADHM COc1cc(-c2noc([C@H]3CCCN(c4ccccc4)C3=O)n2)ccc1[O-] ZINC000551419910 505222542 /nfs/dbraw/zinc/22/25/42/505222542.db2.gz KHAZMPAKXULYIV-OAHLLOKOSA-N -1 3 365.389 3.361 20 0 FGADHM COc1cc(CNC2(C(=O)[O-])CCCCC2)c(Br)cc1O ZINC000551423207 505223174 /nfs/dbraw/zinc/22/31/74/505223174.db2.gz PJHXFYLGYPUSLV-UHFFFAOYSA-N -1 3 358.232 3.040 20 0 FGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)c2cccc(C)c2C)s1 ZINC000554647082 505232124 /nfs/dbraw/zinc/23/21/24/505232124.db2.gz LOZMIIHLTMMWSC-GFCCVEGCSA-N -1 3 353.465 3.191 20 0 FGADHM COCc1cc(C[N-]S(=O)(=O)c2cc(Cl)ccc2F)ccc1F ZINC000551499602 505237710 /nfs/dbraw/zinc/23/77/10/505237710.db2.gz UEUYVXBYKOWQAL-UHFFFAOYSA-N -1 3 361.797 3.243 20 0 FGADHM Cc1nc(C)c(CC(=O)NC2(Cc3ccc(Cl)cc3)CCC2)c(=O)[n-]1 ZINC000561064506 505241729 /nfs/dbraw/zinc/24/17/29/505241729.db2.gz YWCZLJJHLSNUFU-UHFFFAOYSA-N -1 3 359.857 3.277 20 0 FGADHM CCC[C@]1(NC(=O)c2ccc(C(=O)c3cccc([O-])c3)cc2)CCOC1 ZINC000561240456 505290250 /nfs/dbraw/zinc/29/02/50/505290250.db2.gz PPYXELPPNHTKCM-NRFANRHFSA-N -1 3 353.418 3.312 20 0 FGADHM CN(C)C[C@@H]([N-]S(=O)(=O)c1cccc(F)c1F)c1ccc(Cl)cc1 ZINC000554915895 505298786 /nfs/dbraw/zinc/29/87/86/505298786.db2.gz DFBXACWBCJHJFN-CQSZACIVSA-N -1 3 374.840 3.199 20 0 FGADHM Cn1cc(C(=O)[N-]c2cc(C(F)(F)F)ccc2SCC(F)F)nn1 ZINC000558140115 505318572 /nfs/dbraw/zinc/31/85/72/505318572.db2.gz WCPPQMZZMLVPIZ-UHFFFAOYSA-N -1 3 366.315 3.443 20 0 FGADHM COc1cc(NC(=O)c2cc([O-])c3ccccc3c2)cc(S(C)(=O)=O)c1 ZINC000561354688 505324202 /nfs/dbraw/zinc/32/42/02/505324202.db2.gz WFYJEUPAESXJRB-UHFFFAOYSA-N -1 3 371.414 3.210 20 0 FGADHM Cc1nc(C(=O)[N-]c2cc(F)cc(F)c2F)nn1-c1ccc(F)cc1 ZINC000558240831 505341361 /nfs/dbraw/zinc/34/13/61/505341361.db2.gz PKJQSNHKOWELFK-UHFFFAOYSA-N -1 3 350.275 3.384 20 0 FGADHM COCc1nc(C(=O)[N-]c2nc3c(cccc3Br)s2)co1 ZINC000561459295 505351930 /nfs/dbraw/zinc/35/19/30/505351930.db2.gz NRRKGEYNCQNJKX-UHFFFAOYSA-N -1 3 368.212 3.446 20 0 FGADHM Cc1ccc2nc(C[N-]S(=O)(=O)c3cc(C)c(F)cc3Cl)cn2c1 ZINC000555116352 505353824 /nfs/dbraw/zinc/35/38/24/505353824.db2.gz OCQHBBCAVHJFGT-UHFFFAOYSA-N -1 3 367.833 3.222 20 0 FGADHM Cc1ccc(Br)cc1S(=O)(=O)[N-][C@@H](C1CC1)C(F)(F)F ZINC000567078855 505357275 /nfs/dbraw/zinc/35/72/75/505357275.db2.gz RWBWMWHMMHCTBZ-NSHDSACASA-N -1 3 372.206 3.377 20 0 FGADHM COC(C)(C)C[C@H](C)[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000561518893 505366217 /nfs/dbraw/zinc/36/62/17/505366217.db2.gz KETJRWJCMNHLQH-VIFPVBQESA-N -1 3 373.368 3.206 20 0 FGADHM C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)N1C[C@@H](C)[C@](C)(C(=O)[O-])C1 ZINC000567117737 505367423 /nfs/dbraw/zinc/36/74/23/505367423.db2.gz RLOZLRGXDMIRJQ-SEDUGSJDSA-N -1 3 363.845 3.417 20 0 FGADHM CCCS(=O)(=O)[N-]c1ccc(C(=O)Nc2cccc(SC)n2)cc1 ZINC000567138248 505374485 /nfs/dbraw/zinc/37/44/85/505374485.db2.gz ILGKBURMHBJCQB-UHFFFAOYSA-N -1 3 365.480 3.208 20 0 FGADHM Cc1cccc(CCC(=O)N=c2nc(-c3ccccc3Cl)[n-]n2C)c1 ZINC000555201343 505377203 /nfs/dbraw/zinc/37/72/03/505377203.db2.gz FUHAFROBMJIUQO-UHFFFAOYSA-N -1 3 354.841 3.437 20 0 FGADHM CCc1cccc(C(=O)N(Cc2ccc(-n3cncn3)cc2)C2CC2)c1[O-] ZINC000555203728 505378337 /nfs/dbraw/zinc/37/83/37/505378337.db2.gz PMTVVTRKHZMWCR-UHFFFAOYSA-N -1 3 362.433 3.340 20 0 FGADHM CN(C)C[C@H](NC(=O)c1cc(F)c(F)c([O-])c1F)c1ccc(Cl)cc1 ZINC000555229783 505385257 /nfs/dbraw/zinc/38/52/57/505385257.db2.gz FVWFYBZBYGHQNA-ZDUSSCGKSA-N -1 3 372.774 3.496 20 0 FGADHM C[C@H](Sc1ccccc1Cl)C(=O)N=c1[nH][n-]cc1Br ZINC000552070492 505389905 /nfs/dbraw/zinc/38/99/05/505389905.db2.gz SFQRMCICEYSREW-ZETCQYMHSA-N -1 3 360.664 3.367 20 0 FGADHM O=C(N=c1cc2ccccn2[n-]1)N1CCCc2c3cccc(F)c3[nH]c2C1 ZINC000558463665 505397257 /nfs/dbraw/zinc/39/72/57/505397257.db2.gz HGTCKIGTHOETGS-UHFFFAOYSA-N -1 3 363.396 3.357 20 0 FGADHM CN(Cc1cc(Br)cs1)C(=O)N=c1cc2ccccn2[n-]1 ZINC000558465175 505397866 /nfs/dbraw/zinc/39/78/66/505397866.db2.gz YBQAUXPGCLKXSF-UHFFFAOYSA-N -1 3 365.256 3.244 20 0 FGADHM CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)N=c2cc3ccccn3[n-]2)c1 ZINC000558464287 505398325 /nfs/dbraw/zinc/39/83/25/505398325.db2.gz LHLMAQSSOSITTH-CQSZACIVSA-N -1 3 365.437 3.063 20 0 FGADHM CO[C@H](C(=O)Nc1ccc(Br)cc1[O-])c1ccc(O)cc1 ZINC000567224480 505399934 /nfs/dbraw/zinc/39/99/34/505399934.db2.gz ACAURQUONLDBES-AWEZNQCLSA-N -1 3 352.184 3.187 20 0 FGADHM CCS(=O)(=O)c1ccc(CCC(=O)Nc2c([O-])cccc2Cl)cc1 ZINC000558473331 505401884 /nfs/dbraw/zinc/40/18/84/505401884.db2.gz XRUPIMYXEJNDFH-UHFFFAOYSA-N -1 3 367.854 3.411 20 0 FGADHM CC(C)c1cc(C(=O)N2CSC[C@H]2C(=O)N(C)C)c([O-])c(C(C)C)c1 ZINC000552126394 505408977 /nfs/dbraw/zinc/40/89/77/505408977.db2.gz MNLDKLQLEBYGCR-INIZCTEOSA-N -1 3 364.511 3.242 20 0 FGADHM O=S(=O)([N-]CCCO[C@H]1CCCCO1)c1ccc(Cl)cc1Cl ZINC000561722569 505418102 /nfs/dbraw/zinc/41/81/02/505418102.db2.gz QJNYYLGJCQAAPR-AWEZNQCLSA-N -1 3 368.282 3.205 20 0 FGADHM O=S(=O)([N-][C@H]1CCN(C2CC2)C1)c1c(Cl)ccc2ccccc21 ZINC000555410759 505426236 /nfs/dbraw/zinc/42/62/36/505426236.db2.gz IKSCXEWTQSEWDA-ZDUSSCGKSA-N -1 3 350.871 3.008 20 0 FGADHM CCOC(=O)[C@@H](Cc1ccccn1)NCc1cc([O-])cc(C(F)(F)F)c1 ZINC000558574822 505427324 /nfs/dbraw/zinc/42/73/24/505427324.db2.gz CPPBHCRVKKSBEE-MRXNPFEDSA-N -1 3 368.355 3.070 20 0 FGADHM CC(C)COc1ccc(CCNC(=O)c2c[n-]nc2-c2ccccn2)cc1 ZINC000564466407 505427769 /nfs/dbraw/zinc/42/77/69/505427769.db2.gz FGTZOEMKVHKUBL-UHFFFAOYSA-N -1 3 364.449 3.479 20 0 FGADHM [O-]c1cc(CN2CCN(Cc3ccccn3)CC2)cc(C(F)(F)F)c1 ZINC000564528669 505442300 /nfs/dbraw/zinc/44/23/00/505442300.db2.gz IUBXYUQVQVRUEB-UHFFFAOYSA-N -1 3 351.372 3.124 20 0 FGADHM COc1cc(C=Cc2nc(C)cc(=O)[n-]2)cc(OC)c1OCC(F)F ZINC000561846255 505448855 /nfs/dbraw/zinc/44/88/55/505448855.db2.gz NBWHZDVLKIXZHU-SNAWJCMRSA-N -1 3 352.337 3.322 20 0 FGADHM O=C(c1ccc(-c2ccc(F)cc2)s1)N1CCc2c(=O)[n-]cnc2C1 ZINC000561846718 505449198 /nfs/dbraw/zinc/44/91/98/505449198.db2.gz RZFRCCDCXWXMHQ-UHFFFAOYSA-N -1 3 355.394 3.248 20 0 FGADHM CC(C)(C)NC(=O)c1ccc([N-]S(=O)(=O)CCc2cccs2)cc1 ZINC000564549649 505449903 /nfs/dbraw/zinc/44/99/03/505449903.db2.gz IMRFVVKLIYLAHN-UHFFFAOYSA-N -1 3 366.508 3.261 20 0 FGADHM O=C(NCCCOc1cccc2cccnc21)c1c[n-]nc1-c1ccccn1 ZINC000567432919 505460652 /nfs/dbraw/zinc/46/06/52/505460652.db2.gz PYCMVGIWNDKVEI-UHFFFAOYSA-N -1 3 373.416 3.219 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)[C@@H]3CC[C@@H](C(F)(F)F)C3)[n-]c21 ZINC000552365691 505473702 /nfs/dbraw/zinc/47/37/02/505473702.db2.gz NSIXQRQCDQXBBZ-RKDXNWHRSA-N -1 3 355.316 3.267 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@@H]3CC[C@@H](C(F)(F)F)C3)nc21 ZINC000552365691 505473707 /nfs/dbraw/zinc/47/37/07/505473707.db2.gz NSIXQRQCDQXBBZ-RKDXNWHRSA-N -1 3 355.316 3.267 20 0 FGADHM C[C@@H](O)[C@@H]([N-]S(=O)(=O)CCc1cccc(Cl)c1)c1ccccc1F ZINC000567477365 505476523 /nfs/dbraw/zinc/47/65/23/505476523.db2.gz OFBOIIKDZGSIMS-SJKOYZFVSA-N -1 3 371.861 3.063 20 0 FGADHM O=C(CCn1c2ccccc2nc1C1CC1)Nc1nnc(-c2ccccn2)[n-]1 ZINC000552390869 505480356 /nfs/dbraw/zinc/48/03/56/505480356.db2.gz LVVCYSZZBYQROD-UHFFFAOYSA-N -1 3 373.420 3.123 20 0 FGADHM O=C(CCn1c2ccccc2nc1C1CC1)Nc1nc(-c2ccccn2)n[n-]1 ZINC000552390869 505480362 /nfs/dbraw/zinc/48/03/62/505480362.db2.gz LVVCYSZZBYQROD-UHFFFAOYSA-N -1 3 373.420 3.123 20 0 FGADHM O=C(CCn1c2ccccc2nc1C1CC1)Nc1n[n-]c(-c2ccccn2)n1 ZINC000552390869 505480365 /nfs/dbraw/zinc/48/03/65/505480365.db2.gz LVVCYSZZBYQROD-UHFFFAOYSA-N -1 3 373.420 3.123 20 0 FGADHM O=C(Nc1ccc([O-])cc1F)c1cn2ccc(Br)cc2n1 ZINC000552416776 505487250 /nfs/dbraw/zinc/48/72/50/505487250.db2.gz HBCQSNARWIYKDN-UHFFFAOYSA-N -1 3 350.147 3.194 20 0 FGADHM Cc1ccc([O-])c(C(=O)NCCc2cnc(SC3CCCC3)nc2)c1 ZINC000552446202 505494327 /nfs/dbraw/zinc/49/43/27/505494327.db2.gz WANLNLXGSZFUDQ-UHFFFAOYSA-N -1 3 357.479 3.498 20 0 FGADHM OC1(CN=c2nc(C3CCCC3)[n-]s2)CCN(Cc2ccccc2)CC1 ZINC000567577838 505503838 /nfs/dbraw/zinc/50/38/38/505503838.db2.gz ACFVAQUIIYYMBK-UHFFFAOYSA-N -1 3 372.538 3.057 20 0 FGADHM CCCS(=O)(=O)[N-]c1ccc(-c2nc(CCc3ccco3)no2)cc1 ZINC000564763032 505512550 /nfs/dbraw/zinc/51/25/50/505512550.db2.gz GHSPFEINRXHBCI-UHFFFAOYSA-N -1 3 361.423 3.267 20 0 FGADHM C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C[C@H](O)COc1ccc(C(=O)[O-])cc1 ZINC000564801100 505523599 /nfs/dbraw/zinc/52/35/99/505523599.db2.gz BMBKSENEAUZMND-BJZITVGISA-N -1 3 373.424 3.142 20 0 FGADHM CCOC(=O)c1sc2[n-]c(-c3cc(OC)cc(OC)c3)nc(=O)c2c1C ZINC000555934964 505542929 /nfs/dbraw/zinc/54/29/29/505542929.db2.gz CERDYEZWNWHIFF-UHFFFAOYSA-N -1 3 374.418 3.154 20 0 FGADHM Cc1cccc(C)c1CS(=O)(=O)[N-][C@H](C)c1nc(C(C)(C)C)no1 ZINC000559050859 505557833 /nfs/dbraw/zinc/55/78/33/505557833.db2.gz QNACNPQRTVRVSW-CYBMUJFWSA-N -1 3 351.472 3.165 20 0 FGADHM COc1cccc2c1n[nH]c2C(=O)Nc1ccc(Br)cc1[O-] ZINC000567793202 505563478 /nfs/dbraw/zinc/56/34/78/505563478.db2.gz FPMRILIRSXYNHW-UHFFFAOYSA-N -1 3 362.183 3.292 20 0 FGADHM O=C([O-])CCN(Cc1ccc(Sc2ccccn2)o1)C1CCOCC1 ZINC000567867908 505569231 /nfs/dbraw/zinc/56/92/31/505569231.db2.gz ZEAAJUJPBQPGLI-UHFFFAOYSA-N -1 3 362.451 3.282 20 0 FGADHM CCOC(=O)[C@H]1CCCc2sc(NC(=O)c3cc(C(F)F)[n-]n3)nc21 ZINC000603055970 506401768 /nfs/dbraw/zinc/40/17/68/506401768.db2.gz CXKSEBJMNWYRSE-ZETCQYMHSA-N -1 3 370.381 3.039 20 0 FGADHM COc1cccc(C2=CCN(C(=O)c3c[n-]c4ccc(C)cc4c3=O)C2)c1 ZINC000582803334 506426788 /nfs/dbraw/zinc/42/67/88/506426788.db2.gz QSVKONQYSRSOCZ-UHFFFAOYSA-N -1 3 360.413 3.385 20 0 FGADHM COc1ccc(NC(=O)c2c[n-]nc2-c2cccc(OC(F)F)c2)nc1 ZINC000608144153 506437086 /nfs/dbraw/zinc/43/70/86/506437086.db2.gz CMXPUPJPLWRBRX-UHFFFAOYSA-N -1 3 360.320 3.334 20 0 FGADHM COc1ccc(NC(=O)c2cn[n-]c2-c2cccc(OC(F)F)c2)nc1 ZINC000608144153 506437088 /nfs/dbraw/zinc/43/70/88/506437088.db2.gz CMXPUPJPLWRBRX-UHFFFAOYSA-N -1 3 360.320 3.334 20 0 FGADHM C[C@@]1(c2cccc(C(=O)NCC3(C)CCC(C)(C)CC3)c2)NC(=O)[N-]C1=O ZINC000582832021 506443552 /nfs/dbraw/zinc/44/35/52/506443552.db2.gz LUZFJVIOTZCAQS-NRFANRHFSA-N -1 3 371.481 3.078 20 0 FGADHM CCOC(=O)c1ccccc1S(=O)(=O)[N-]CC(C)(C)C(F)(F)CC ZINC000599444918 506458995 /nfs/dbraw/zinc/45/89/95/506458995.db2.gz HNLNUQXPVSJQJA-UHFFFAOYSA-N -1 3 363.426 3.213 20 0 FGADHM COC[C@@H]([N-]S(=O)(=O)Cc1cc(-c2ccccc2)no1)c1ccccc1 ZINC000589169478 506469871 /nfs/dbraw/zinc/46/98/71/506469871.db2.gz RQFFCLHIPHBKQX-LJQANCHMSA-N -1 3 372.446 3.149 20 0 FGADHM CCc1ccc([C@@H](NC(=O)CNC(=O)c2ccc([O-])cc2)C(C)C)cc1 ZINC000608367786 506528673 /nfs/dbraw/zinc/52/86/73/506528673.db2.gz OXNRVGQNGHTHGO-FQEVSTJZSA-N -1 3 354.450 3.198 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)NCCc2ccc(F)cc2Cl)c1 ZINC000603552327 506553099 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517467136 /nfs/dbraw/zinc/46/71/36/517467136.db2.gz ANRPMJQFAHSHTN-YOEHRIQHSA-N -1 3 351.454 3.311 20 0 FGADHM CCc1c(C(=O)N=c2[nH][n-]c(C)c2-c2ccc(C)cc2)[nH]c(C)c1C(N)=O ZINC000530271346 517668657 /nfs/dbraw/zinc/66/86/57/517668657.db2.gz CKHNYVYTADWETA-UHFFFAOYSA-N -1 3 365.437 3.244 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@H](C)n2nnnc2C(C)(C)C)c1-c1ccc(C)cc1 ZINC000530271672 517668689 /nfs/dbraw/zinc/66/86/89/517668689.db2.gz GZPIRFSNBNPTRB-ZDUSSCGKSA-N -1 3 367.457 3.177 20 0 FGADHM COCc1ncc(CNC(=O)c2cc(C(C)C)cc(C(C)C)c2[O-])c(N)n1 ZINC000516687690 517808956 /nfs/dbraw/zinc/80/89/56/517808956.db2.gz WSDVFELODHVUJA-UHFFFAOYSA-N -1 3 372.469 3.088 20 0 FGADHM CN(C)C[C@@H](NC(=O)N=c1cc2ccccn2[n-]1)c1ccc(Cl)cc1 ZINC000522023838 517955912 /nfs/dbraw/zinc/95/59/12/517955912.db2.gz MFNGHXBGVVSSEL-MRXNPFEDSA-N -1 3 357.845 3.412 20 0 FGADHM C[C@@H](SCc1ccccc1)C(=O)N=c1[n-]n(C)cc1Br ZINC000517237480 518082909 /nfs/dbraw/zinc/08/29/09/518082909.db2.gz IMZDXWNSOCYDJF-SNVBAGLBSA-N -1 3 354.273 3.443 20 0 FGADHM Cc1ccc(Cl)c2ccc(NC(=O)CNC(=O)c3ccc([O-])cc3)nc12 ZINC000539514009 518085691 /nfs/dbraw/zinc/08/56/91/518085691.db2.gz WUCDWOXVDJNPMH-UHFFFAOYSA-N -1 3 369.808 3.271 20 0 FGADHM Cc1cc(C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)c(C)n1C1CCOCC1 ZINC000616825160 520164416 /nfs/dbraw/zinc/16/44/16/520164416.db2.gz UQPGIHFNKRZZBB-KRWDZBQOSA-N -1 3 358.442 3.283 20 0 FGADHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1ccn2cc(C(F)(F)F)nc2c1 ZINC000616824862 520165339 /nfs/dbraw/zinc/16/53/39/520165339.db2.gz PMJYBPXNOJCXKN-NSHDSACASA-N -1 3 365.315 3.180 20 0 FGADHM CCC[C@@H]1CCC[C@@H]1C(=O)N=c1[n-]n(C)cc1I ZINC000602389215 521314994 /nfs/dbraw/zinc/31/49/94/521314994.db2.gz DWJQGDAJAKZLLX-ZJUUUORDSA-N -1 3 361.227 3.180 20 0 FGADHM COc1ccccc1-c1cc(=NC(=O)c2cccc(CN(C)C)c2)[nH][n-]1 ZINC000607384941 521350983 /nfs/dbraw/zinc/35/09/83/521350983.db2.gz QIRUWKVAZOOIKB-UHFFFAOYSA-N -1 3 350.422 3.399 20 0 FGADHM C[C@H](NC(=O)C1CCCC1)C(=O)N=c1cc(-c2cccc(Cl)c2)[n-][nH]1 ZINC000622891090 523532785 /nfs/dbraw/zinc/53/27/85/523532785.db2.gz FDYYUCBBFCHRCE-NSHDSACASA-N -1 3 360.845 3.364 20 0 FGADHM Cc1ccc(-c2nc(C(=O)N=c3cc(OC(F)F)n(C)[n-]3)cs2)n1C ZINC000490952753 561440914 /nfs/dbraw/zinc/44/09/14/561440914.db2.gz FMYZFUNRYRQHOJ-UHFFFAOYSA-N -1 3 367.381 3.044 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@H]2CCc3ncncc3C2)c1-c1ccc(F)cc1 ZINC000530277775 562405001 /nfs/dbraw/zinc/40/50/01/562405001.db2.gz XHCIUCMZZYQTSI-ZDUSSCGKSA-N -1 3 351.385 3.058 20 0 FGADHM CC(C)[C@H](Cc1ccccc1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000735707341 598831495 /nfs/dbraw/zinc/83/14/95/598831495.db2.gz CBYCUAJUWBDFTH-HNNXBMFYSA-N -1 3 353.401 3.459 20 0 FGADHM CC(C)[C@H](Cc1ccccc1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000735707341 598831497 /nfs/dbraw/zinc/83/14/97/598831497.db2.gz CBYCUAJUWBDFTH-HNNXBMFYSA-N -1 3 353.401 3.459 20 0 FGADHM C[C@H](CC(=O)OCc1ccc(F)cc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000735977763 598846187 /nfs/dbraw/zinc/84/61/87/598846187.db2.gz RHXSQKZFZWJUBC-LLVKDONJSA-N -1 3 358.348 3.382 20 0 FGADHM C[C@H](CC(=O)OCc1ccc(F)cc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000735977763 598846189 /nfs/dbraw/zinc/84/61/89/598846189.db2.gz RHXSQKZFZWJUBC-LLVKDONJSA-N -1 3 358.348 3.382 20 0 FGADHM CCSc1cccc(NC(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)c1 ZINC000736666568 598865446 /nfs/dbraw/zinc/86/54/46/598865446.db2.gz LWOJNZDFQDUCJU-LBPRGKRZSA-N -1 3 369.450 3.385 20 0 FGADHM CCSc1cccc(NC(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)c1 ZINC000736666568 598865447 /nfs/dbraw/zinc/86/54/47/598865447.db2.gz LWOJNZDFQDUCJU-LBPRGKRZSA-N -1 3 369.450 3.385 20 0 FGADHM CCSc1cccc(NC(=O)NCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736664977 598879565 /nfs/dbraw/zinc/87/95/65/598879565.db2.gz BYEDQCFWLLCLPT-UHFFFAOYSA-N -1 3 354.439 3.300 20 0 FGADHM CCSc1cccc(NC(=O)NCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736664977 598879567 /nfs/dbraw/zinc/87/95/67/598879567.db2.gz BYEDQCFWLLCLPT-UHFFFAOYSA-N -1 3 354.439 3.300 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N1CCc2c(Cl)cccc2C1 ZINC000738152697 598889943 /nfs/dbraw/zinc/88/99/43/598889943.db2.gz XZLRMKZVROXTJT-UHFFFAOYSA-N -1 3 354.801 3.110 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N1CCc2c(Cl)cccc2C1 ZINC000738152697 598889944 /nfs/dbraw/zinc/88/99/44/598889944.db2.gz XZLRMKZVROXTJT-UHFFFAOYSA-N -1 3 354.801 3.110 20 0 FGADHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H](C)CC1CCCC1 ZINC000736996699 598904519 /nfs/dbraw/zinc/90/45/19/598904519.db2.gz AAHUOHDWOOCOCZ-OAHLLOKOSA-N -1 3 371.485 3.058 20 0 FGADHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H](C)CC1CCCC1 ZINC000736996699 598904521 /nfs/dbraw/zinc/90/45/21/598904521.db2.gz AAHUOHDWOOCOCZ-OAHLLOKOSA-N -1 3 371.485 3.058 20 0 FGADHM CC[C@@](C)(NC(=O)Nc1cc(-c2nnn[n-]2)ccc1C)c1nccs1 ZINC000736316008 598904817 /nfs/dbraw/zinc/90/48/17/598904817.db2.gz UBHGKADBLWUXPA-MRXNPFEDSA-N -1 3 357.443 3.079 20 0 FGADHM CC[C@@](C)(NC(=O)Nc1cc(-c2nn[n-]n2)ccc1C)c1nccs1 ZINC000736316008 598904819 /nfs/dbraw/zinc/90/48/19/598904819.db2.gz UBHGKADBLWUXPA-MRXNPFEDSA-N -1 3 357.443 3.079 20 0 FGADHM COc1cc(F)c([C@H](C)Nc2cccc(F)c2-c2nnn[n-]2)cc1OC ZINC000737054454 598914224 /nfs/dbraw/zinc/91/42/24/598914224.db2.gz QLESOGHNJADKHU-VIFPVBQESA-N -1 3 361.352 3.335 20 0 FGADHM COc1cc(F)c([C@H](C)Nc2cccc(F)c2-c2nn[n-]n2)cc1OC ZINC000737054454 598914227 /nfs/dbraw/zinc/91/42/27/598914227.db2.gz QLESOGHNJADKHU-VIFPVBQESA-N -1 3 361.352 3.335 20 0 FGADHM CC(C)C[C@@H]1CCCCCN1C(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000735795521 598943434 /nfs/dbraw/zinc/94/34/34/598943434.db2.gz NPQHUGIBYVAGOK-INIZCTEOSA-N -1 3 357.458 3.063 20 0 FGADHM CC(C)C[C@@H]1CCCCCN1C(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000735795521 598943436 /nfs/dbraw/zinc/94/34/36/598943436.db2.gz NPQHUGIBYVAGOK-INIZCTEOSA-N -1 3 357.458 3.063 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)Oc1ccc(C(C)(C)C)cc1 ZINC000737300599 598947736 /nfs/dbraw/zinc/94/77/36/598947736.db2.gz CTGWNRHDAZGZRT-UHFFFAOYSA-N -1 3 372.450 3.240 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)Oc1ccc(C(C)(C)C)cc1 ZINC000737300599 598947738 /nfs/dbraw/zinc/94/77/38/598947738.db2.gz CTGWNRHDAZGZRT-UHFFFAOYSA-N -1 3 372.450 3.240 20 0 FGADHM CC[C@H](C)c1ccccc1OS(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000736330852 598948463 /nfs/dbraw/zinc/94/84/63/598948463.db2.gz ZYPMXVDMZKRBRX-LBPRGKRZSA-N -1 3 372.450 3.456 20 0 FGADHM CC[C@H](C)c1ccccc1OS(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000736330852 598948464 /nfs/dbraw/zinc/94/84/64/598948464.db2.gz ZYPMXVDMZKRBRX-LBPRGKRZSA-N -1 3 372.450 3.456 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@H](C(C)C)CC1 ZINC000737064803 598966879 /nfs/dbraw/zinc/96/68/79/598966879.db2.gz ZPKHDQPXZSQJCN-ZDUSSCGKSA-N -1 3 358.446 3.165 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@H](C(C)C)CC1 ZINC000737064803 598966880 /nfs/dbraw/zinc/96/68/80/598966880.db2.gz ZPKHDQPXZSQJCN-ZDUSSCGKSA-N -1 3 358.446 3.165 20 0 FGADHM Cc1ccc(NC(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1OC(F)F ZINC000737361089 598963340 /nfs/dbraw/zinc/96/33/40/598963340.db2.gz SAYLTUOKJDERHR-UHFFFAOYSA-N -1 3 360.324 3.421 20 0 FGADHM Cc1ccc(NC(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1OC(F)F ZINC000737361089 598963342 /nfs/dbraw/zinc/96/33/42/598963342.db2.gz SAYLTUOKJDERHR-UHFFFAOYSA-N -1 3 360.324 3.421 20 0 FGADHM C/C=C/COC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000736301402 598964040 /nfs/dbraw/zinc/96/40/40/598964040.db2.gz AYEQNJUHURJCKS-NSCUHMNNSA-N -1 3 350.378 3.179 20 0 FGADHM C/C=C/COC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000736301402 598964041 /nfs/dbraw/zinc/96/40/41/598964041.db2.gz AYEQNJUHURJCKS-NSCUHMNNSA-N -1 3 350.378 3.179 20 0 FGADHM O[C@H](CNc1cc(Cl)ccc1-c1nnn[n-]1)c1ccccc1Cl ZINC000738381605 598974614 /nfs/dbraw/zinc/97/46/14/598974614.db2.gz ILCDKIIPEWCWSE-CQSZACIVSA-N -1 3 350.209 3.319 20 0 FGADHM O[C@H](CNc1cc(Cl)ccc1-c1nn[n-]n1)c1ccccc1Cl ZINC000738381605 598974616 /nfs/dbraw/zinc/97/46/16/598974616.db2.gz ILCDKIIPEWCWSE-CQSZACIVSA-N -1 3 350.209 3.319 20 0 FGADHM CC(C)CC[C@](C)(O)CNc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000735796328 598974709 /nfs/dbraw/zinc/97/47/09/598974709.db2.gz AAPLZJIXJZDXQD-HNNXBMFYSA-N -1 3 357.380 3.485 20 0 FGADHM Cc1ccccc1Cc1noc(CNc2cccc(-c3nnn[n-]3)c2C)n1 ZINC000822361677 607256870 /nfs/dbraw/zinc/25/68/70/607256870.db2.gz FSDFRAUAMGQOEC-UHFFFAOYSA-N -1 3 361.409 3.069 20 0 FGADHM Cc1ccccc1Cc1noc(CNc2cccc(-c3nn[n-]n3)c2C)n1 ZINC000822361677 607256871 /nfs/dbraw/zinc/25/68/71/607256871.db2.gz FSDFRAUAMGQOEC-UHFFFAOYSA-N -1 3 361.409 3.069 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OCCSCc1ccc(F)cc1 ZINC000737031621 599009869 /nfs/dbraw/zinc/00/98/69/599009869.db2.gz BGASOEYHEAXFEJ-UHFFFAOYSA-N -1 3 360.414 3.327 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OCCSCc1ccc(F)cc1 ZINC000737031621 599009871 /nfs/dbraw/zinc/00/98/71/599009871.db2.gz BGASOEYHEAXFEJ-UHFFFAOYSA-N -1 3 360.414 3.327 20 0 FGADHM c1cc(COc2ccc(-c3nn[n-]n3)cc2)cc(-c2nc(C3CC3)no2)c1 ZINC000738412806 599011041 /nfs/dbraw/zinc/01/10/41/599011041.db2.gz JBZFEMXBBHTEAR-UHFFFAOYSA-N -1 3 360.377 3.373 20 0 FGADHM Cc1ccccc1[C@H]1CN(c2ccc(Cl)cc2-c2nnn[n-]2)CCO1 ZINC000822350834 599036893 /nfs/dbraw/zinc/03/68/93/599036893.db2.gz HOPLTHOFJMUJRC-QGZVFWFLSA-N -1 3 355.829 3.406 20 0 FGADHM Cc1ccccc1[C@H]1CN(c2ccc(Cl)cc2-c2nn[n-]n2)CCO1 ZINC000822350834 599036895 /nfs/dbraw/zinc/03/68/95/599036895.db2.gz HOPLTHOFJMUJRC-QGZVFWFLSA-N -1 3 355.829 3.406 20 0 FGADHM C[C@H]1CN(c2ccc(-c3nn[n-]n3)cc2F)C[C@H](c2ccc(F)cc2)O1 ZINC000820766884 599038385 /nfs/dbraw/zinc/03/83/85/599038385.db2.gz DQUYOEQBRVWJBB-APPDUMDISA-N -1 3 357.364 3.111 20 0 FGADHM COc1ccc2c(c1)OCC[C@@H]2Nc1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821854416 599043997 /nfs/dbraw/zinc/04/39/97/599043997.db2.gz JGIXXUFPLVZQAJ-AWEZNQCLSA-N -1 3 359.336 3.089 20 0 FGADHM COc1ccc2c(c1)OCC[C@@H]2Nc1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821854416 599044000 /nfs/dbraw/zinc/04/40/00/599044000.db2.gz JGIXXUFPLVZQAJ-AWEZNQCLSA-N -1 3 359.336 3.089 20 0 FGADHM CO[C@@H](CNc1nc(C)cc(C)c1-c1nnn[n-]1)c1ccc(Cl)cc1 ZINC000821678155 599046355 /nfs/dbraw/zinc/04/63/55/599046355.db2.gz KKHRUGRZKQNSRO-AWEZNQCLSA-N -1 3 358.833 3.332 20 0 FGADHM CO[C@@H](CNc1nc(C)cc(C)c1-c1nn[n-]n1)c1ccc(Cl)cc1 ZINC000821678155 599046357 /nfs/dbraw/zinc/04/63/57/599046357.db2.gz KKHRUGRZKQNSRO-AWEZNQCLSA-N -1 3 358.833 3.332 20 0 FGADHM CN(CCc1ccc(F)cc1)c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000736804627 599046820 /nfs/dbraw/zinc/04/68/20/599046820.db2.gz SNBLNTMDAAAMEK-UHFFFAOYSA-N -1 3 366.322 3.099 20 0 FGADHM CN(CCc1ccc(F)cc1)c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000736804627 599046823 /nfs/dbraw/zinc/04/68/23/599046823.db2.gz SNBLNTMDAAAMEK-UHFFFAOYSA-N -1 3 366.322 3.099 20 0 FGADHM C[C@@H](COCc1ccccc1)Nc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000820287756 599080292 /nfs/dbraw/zinc/08/02/92/599080292.db2.gz PQZZUMTWDJQDHO-AWEZNQCLSA-N -1 3 360.421 3.432 20 0 FGADHM C[C@@H](COCc1ccccc1)Nc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000820287756 599080295 /nfs/dbraw/zinc/08/02/95/599080295.db2.gz PQZZUMTWDJQDHO-AWEZNQCLSA-N -1 3 360.421 3.432 20 0 FGADHM CO[C@@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)c1cccc(Cl)c1 ZINC000821678446 599090249 /nfs/dbraw/zinc/09/02/49/599090249.db2.gz NUUYYFVYUWWQLP-ZDUSSCGKSA-N -1 3 365.224 3.368 20 0 FGADHM CO[C@@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)c1cccc(Cl)c1 ZINC000821678446 599090251 /nfs/dbraw/zinc/09/02/51/599090251.db2.gz NUUYYFVYUWWQLP-ZDUSSCGKSA-N -1 3 365.224 3.368 20 0 FGADHM c1ccc2c(c1)CCO[C@H]2CSCCOc1cccc(-c2nnn[n-]2)c1 ZINC000738419521 599100339 /nfs/dbraw/zinc/10/03/39/599100339.db2.gz ONKHDQZPLQEJAD-SFHVURJKSA-N -1 3 368.462 3.293 20 0 FGADHM c1ccc2c(c1)CCO[C@H]2CSCCOc1cccc(-c2nn[n-]n2)c1 ZINC000738419521 599100341 /nfs/dbraw/zinc/10/03/41/599100341.db2.gz ONKHDQZPLQEJAD-SFHVURJKSA-N -1 3 368.462 3.293 20 0 FGADHM Cc1cccnc1[C@H](NC(=O)Nc1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000737432600 599102618 /nfs/dbraw/zinc/10/26/18/599102618.db2.gz BDJXKFLCPTWLBC-OAHLLOKOSA-N -1 3 351.414 3.089 20 0 FGADHM Cc1cccnc1[C@H](NC(=O)Nc1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000737432600 599102620 /nfs/dbraw/zinc/10/26/20/599102620.db2.gz BDJXKFLCPTWLBC-OAHLLOKOSA-N -1 3 351.414 3.089 20 0 FGADHM COCCN(C(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736988811 599116584 /nfs/dbraw/zinc/11/65/84/599116584.db2.gz OSBXYNLOVRRVLI-IRXDYDNUSA-N -1 3 369.469 3.085 20 0 FGADHM COCCN(C(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736988811 599116585 /nfs/dbraw/zinc/11/65/85/599116585.db2.gz OSBXYNLOVRRVLI-IRXDYDNUSA-N -1 3 369.469 3.085 20 0 FGADHM O=C(OC/C=C/Cl)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738219760 599131075 /nfs/dbraw/zinc/13/10/75/599131075.db2.gz APKSKGQOJRIPNC-XNWCZRBMSA-N -1 3 370.796 3.355 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc(OC2CCC2)cc1 ZINC000821765564 599148188 /nfs/dbraw/zinc/14/81/88/599148188.db2.gz GJLBVEUCZRAWIJ-UHFFFAOYSA-N -1 3 365.393 3.059 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(OC2CCC2)cc1 ZINC000821765564 599148190 /nfs/dbraw/zinc/14/81/90/599148190.db2.gz GJLBVEUCZRAWIJ-UHFFFAOYSA-N -1 3 365.393 3.059 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OCc1ncc(-c2ccccc2F)o1 ZINC000737031917 599156474 /nfs/dbraw/zinc/15/64/74/599156474.db2.gz HOYFPCFOWPFINT-UHFFFAOYSA-N -1 3 367.340 3.248 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OCc1ncc(-c2ccccc2F)o1 ZINC000737031917 599156475 /nfs/dbraw/zinc/15/64/75/599156475.db2.gz HOYFPCFOWPFINT-UHFFFAOYSA-N -1 3 367.340 3.248 20 0 FGADHM Clc1cccc(OCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)c1 ZINC000737575212 599159955 /nfs/dbraw/zinc/15/99/55/599159955.db2.gz NNIISRUUPUPIEP-UHFFFAOYSA-N -1 3 354.757 3.149 20 0 FGADHM Clc1cccc(OCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)c1 ZINC000737575212 599159957 /nfs/dbraw/zinc/15/99/57/599159957.db2.gz NNIISRUUPUPIEP-UHFFFAOYSA-N -1 3 354.757 3.149 20 0 FGADHM C[C@@H](c1ccccc1)N(C)C(=O)CSc1ccc(-c2nnn[n-]2)cc1F ZINC000736200309 599168093 /nfs/dbraw/zinc/16/80/93/599168093.db2.gz FEPVTNCUOOIHEL-LBPRGKRZSA-N -1 3 371.441 3.318 20 0 FGADHM C[C@@H](c1ccccc1)N(C)C(=O)CSc1ccc(-c2nn[n-]n2)cc1F ZINC000736200309 599168095 /nfs/dbraw/zinc/16/80/95/599168095.db2.gz FEPVTNCUOOIHEL-LBPRGKRZSA-N -1 3 371.441 3.318 20 0 FGADHM Cc1cc(C)c(-c2nnn[n-]2)c(N[C@@H]2CCCN(c3cccc(F)c3)C2)n1 ZINC000737247165 599170661 /nfs/dbraw/zinc/17/06/61/599170661.db2.gz ZWBPYRJZBOTWJS-OAHLLOKOSA-N -1 3 367.432 3.099 20 0 FGADHM Cc1cc(C)c(-c2nn[n-]n2)c(N[C@@H]2CCCN(c3cccc(F)c3)C2)n1 ZINC000737247165 599170663 /nfs/dbraw/zinc/17/06/63/599170663.db2.gz ZWBPYRJZBOTWJS-OAHLLOKOSA-N -1 3 367.432 3.099 20 0 FGADHM Cc1cc(C)c(-c2nnn[n-]2)c(N[C@H]2CCCN(c3cccc(F)c3)C2)n1 ZINC000737247162 599170685 /nfs/dbraw/zinc/17/06/85/599170685.db2.gz ZWBPYRJZBOTWJS-HNNXBMFYSA-N -1 3 367.432 3.099 20 0 FGADHM Cc1cc(C)c(-c2nn[n-]n2)c(N[C@H]2CCCN(c3cccc(F)c3)C2)n1 ZINC000737247162 599170687 /nfs/dbraw/zinc/17/06/87/599170687.db2.gz ZWBPYRJZBOTWJS-HNNXBMFYSA-N -1 3 367.432 3.099 20 0 FGADHM Fc1cccc(N2CCC[C@H](Nc3cccc(F)c3-c3nnn[n-]3)C2)c1 ZINC000737660368 599171635 /nfs/dbraw/zinc/17/16/35/599171635.db2.gz IYEAIQQNCLPKKT-ZDUSSCGKSA-N -1 3 356.380 3.226 20 0 FGADHM Fc1cccc(N2CCC[C@H](Nc3cccc(F)c3-c3nn[n-]n3)C2)c1 ZINC000737660368 599171637 /nfs/dbraw/zinc/17/16/37/599171637.db2.gz IYEAIQQNCLPKKT-ZDUSSCGKSA-N -1 3 356.380 3.226 20 0 FGADHM CC[C@H](C)NC(=O)[C@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(C)C ZINC000736328430 599173068 /nfs/dbraw/zinc/17/30/68/599173068.db2.gz WXLZGVAHWYNJFB-IINYFYTJSA-N -1 3 351.451 3.037 20 0 FGADHM CC[C@H](C)NC(=O)[C@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(C)C ZINC000736328430 599173071 /nfs/dbraw/zinc/17/30/71/599173071.db2.gz WXLZGVAHWYNJFB-IINYFYTJSA-N -1 3 351.451 3.037 20 0 FGADHM Cc1cc(C)c(C=CC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1C ZINC000822194129 599173386 /nfs/dbraw/zinc/17/33/86/599173386.db2.gz KECFRZOKFNGIBJ-FNORWQNLSA-N -1 3 365.412 3.261 20 0 FGADHM Cc1cc(C)c(C=CC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1C ZINC000822194129 599173388 /nfs/dbraw/zinc/17/33/88/599173388.db2.gz KECFRZOKFNGIBJ-FNORWQNLSA-N -1 3 365.412 3.261 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@@H]1CCSc2ccccc21 ZINC000737026006 599179889 /nfs/dbraw/zinc/17/98/89/599179889.db2.gz UCQCLMTXNHOVFQ-CYBMUJFWSA-N -1 3 368.418 3.060 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@@H]1CCSc2ccccc21 ZINC000737026006 599179893 /nfs/dbraw/zinc/17/98/93/599179893.db2.gz UCQCLMTXNHOVFQ-CYBMUJFWSA-N -1 3 368.418 3.060 20 0 FGADHM Cc1ccc(CN(C)C(=O)c2c(Cl)cc(-c3nnn[n-]3)cc2Cl)o1 ZINC000826287137 607833281 /nfs/dbraw/zinc/83/32/81/607833281.db2.gz DXZGWEIGZJIFHC-UHFFFAOYSA-N -1 3 366.208 3.347 20 0 FGADHM Cc1ccc(CN(C)C(=O)c2c(Cl)cc(-c3nn[n-]n3)cc2Cl)o1 ZINC000826287137 607833282 /nfs/dbraw/zinc/83/32/82/607833282.db2.gz DXZGWEIGZJIFHC-UHFFFAOYSA-N -1 3 366.208 3.347 20 0 FGADHM Cc1ccccc1[C@@H](C)CC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822345396 599184409 /nfs/dbraw/zinc/18/44/09/599184409.db2.gz HYJJEXUVAZEXRR-ZDUSSCGKSA-N -1 3 353.401 3.124 20 0 FGADHM Cc1ccccc1[C@@H](C)CC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822345396 599184412 /nfs/dbraw/zinc/18/44/12/599184412.db2.gz HYJJEXUVAZEXRR-ZDUSSCGKSA-N -1 3 353.401 3.124 20 0 FGADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2cnc3ccsc3c2)s1 ZINC000736679391 599184536 /nfs/dbraw/zinc/18/45/36/599184536.db2.gz SNIZWQDGCTXRFE-UHFFFAOYSA-N -1 3 356.436 3.353 20 0 FGADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2cnc3ccsc3c2)s1 ZINC000736679391 599184538 /nfs/dbraw/zinc/18/45/38/599184538.db2.gz SNIZWQDGCTXRFE-UHFFFAOYSA-N -1 3 356.436 3.353 20 0 FGADHM Cc1c2c(nc(SCc3ccn(C(C)C)n3)c1-c1nnn[n-]1)CCC2 ZINC000737217923 599193043 /nfs/dbraw/zinc/19/30/43/599193043.db2.gz HAYGMSYZUABKSW-UHFFFAOYSA-N -1 3 355.471 3.129 20 0 FGADHM Cc1c2c(nc(SCc3ccn(C(C)C)n3)c1-c1nn[n-]n1)CCC2 ZINC000737217923 599193045 /nfs/dbraw/zinc/19/30/45/599193045.db2.gz HAYGMSYZUABKSW-UHFFFAOYSA-N -1 3 355.471 3.129 20 0 FGADHM C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)c2sccc2-c2nnn[n-]2)C1 ZINC000820668763 599190082 /nfs/dbraw/zinc/19/00/82/599190082.db2.gz WADVOGWCYPOSEM-QMTHXVAHSA-N -1 3 357.414 3.291 20 0 FGADHM C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)c2sccc2-c2nn[n-]n2)C1 ZINC000820668763 599190084 /nfs/dbraw/zinc/19/00/84/599190084.db2.gz WADVOGWCYPOSEM-QMTHXVAHSA-N -1 3 357.414 3.291 20 0 FGADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1ncc(C(C)(C)C)s1 ZINC000820550821 599194327 /nfs/dbraw/zinc/19/43/27/599194327.db2.gz ZFLNBIAVYJFJRW-SNVBAGLBSA-N -1 3 372.454 3.027 20 0 FGADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1ncc(C(C)(C)C)s1 ZINC000820550821 599194330 /nfs/dbraw/zinc/19/43/30/599194330.db2.gz ZFLNBIAVYJFJRW-SNVBAGLBSA-N -1 3 372.454 3.027 20 0 FGADHM COCCN(C(=O)c1ccc(C(F)F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736987992 599205458 /nfs/dbraw/zinc/20/54/58/599205458.db2.gz IACSKDDYKZABNH-UHFFFAOYSA-N -1 3 373.363 3.098 20 0 FGADHM COCCN(C(=O)c1ccc(C(F)F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736987992 599205461 /nfs/dbraw/zinc/20/54/61/599205461.db2.gz IACSKDDYKZABNH-UHFFFAOYSA-N -1 3 373.363 3.098 20 0 FGADHM Fc1ccc2[nH]cc(CCNc3ncc(-c4nnn[n-]4)cc3Cl)c2c1 ZINC000737657688 599207436 /nfs/dbraw/zinc/20/74/36/599207436.db2.gz YVMXYOZNWVXLTH-UHFFFAOYSA-N -1 3 357.780 3.190 20 0 FGADHM Fc1ccc2[nH]cc(CCNc3ncc(-c4nn[n-]n4)cc3Cl)c2c1 ZINC000737657688 599207438 /nfs/dbraw/zinc/20/74/38/599207438.db2.gz YVMXYOZNWVXLTH-UHFFFAOYSA-N -1 3 357.780 3.190 20 0 FGADHM CC(C)[C@@H](NC(=O)c1ncc(-c2nnn[n-]2)cc1Cl)c1ccccc1 ZINC000820027763 607262485 /nfs/dbraw/zinc/26/24/85/607262485.db2.gz UDTAUFZAXBUZNJ-CQSZACIVSA-N -1 3 356.817 3.042 20 0 FGADHM CC(C)[C@@H](NC(=O)c1ncc(-c2nn[n-]n2)cc1Cl)c1ccccc1 ZINC000820027763 607262486 /nfs/dbraw/zinc/26/24/86/607262486.db2.gz UDTAUFZAXBUZNJ-CQSZACIVSA-N -1 3 356.817 3.042 20 0 FGADHM CC(C)Oc1ccc(O[C@H](C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735913715 599232135 /nfs/dbraw/zinc/23/21/35/599232135.db2.gz PFFGLYABKXGYGA-CYBMUJFWSA-N -1 3 367.409 3.060 20 0 FGADHM CC(C)Oc1ccc(O[C@H](C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735913715 599232137 /nfs/dbraw/zinc/23/21/37/599232137.db2.gz PFFGLYABKXGYGA-CYBMUJFWSA-N -1 3 367.409 3.060 20 0 FGADHM COc1ccc(Cl)cc1NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821828142 599235697 /nfs/dbraw/zinc/23/56/97/599235697.db2.gz RDDYKJHMVOZENT-JTQLQIEISA-N -1 3 372.816 3.411 20 0 FGADHM COc1ccc(Cl)cc1NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821828142 599235698 /nfs/dbraw/zinc/23/56/98/599235698.db2.gz RDDYKJHMVOZENT-JTQLQIEISA-N -1 3 372.816 3.411 20 0 FGADHM Cc1c(NC(=O)[C@@H]2C[C@@]23CCCc2ccccc23)cccc1-c1nnn[n-]1 ZINC000822061325 607267874 /nfs/dbraw/zinc/26/78/74/607267874.db2.gz MJXLWRUFPYJXDN-LAUBAEHRSA-N -1 3 359.433 3.408 20 0 FGADHM Cc1c(NC(=O)[C@@H]2C[C@@]23CCCc2ccccc23)cccc1-c1nn[n-]n1 ZINC000822061325 607267875 /nfs/dbraw/zinc/26/78/75/607267875.db2.gz MJXLWRUFPYJXDN-LAUBAEHRSA-N -1 3 359.433 3.408 20 0 FGADHM C[C@@H](NC(=O)C[C@H]1CCOc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000736102710 599246364 /nfs/dbraw/zinc/24/63/64/599246364.db2.gz UGUBFTOFBGHDPK-CZUORRHYSA-N -1 3 363.421 3.000 20 0 FGADHM C[C@@H](NC(=O)C[C@H]1CCOc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000736102710 599246366 /nfs/dbraw/zinc/24/63/66/599246366.db2.gz UGUBFTOFBGHDPK-CZUORRHYSA-N -1 3 363.421 3.000 20 0 FGADHM Cc1nc2ccc(NC(=O)N[C@@H](C)c3cccc(-c4nnn[n-]4)c3)cc2o1 ZINC000822458581 599253506 /nfs/dbraw/zinc/25/35/06/599253506.db2.gz DVOBBNSSOQETEC-JTQLQIEISA-N -1 3 363.381 3.199 20 0 FGADHM Cc1nc2ccc(NC(=O)N[C@@H](C)c3cccc(-c4nn[n-]n4)c3)cc2o1 ZINC000822458581 599253509 /nfs/dbraw/zinc/25/35/09/599253509.db2.gz DVOBBNSSOQETEC-JTQLQIEISA-N -1 3 363.381 3.199 20 0 FGADHM Cc1c(NC(=O)Nc2cnn(Cc3ccccc3)c2)cccc1-c1nnn[n-]1 ZINC000822104628 607286868 /nfs/dbraw/zinc/28/68/68/607286868.db2.gz PHACSMGESPCQHP-UHFFFAOYSA-N -1 3 374.408 3.064 20 0 FGADHM Cc1c(NC(=O)Nc2cnn(Cc3ccccc3)c2)cccc1-c1nn[n-]n1 ZINC000822104628 607286869 /nfs/dbraw/zinc/28/68/69/607286869.db2.gz PHACSMGESPCQHP-UHFFFAOYSA-N -1 3 374.408 3.064 20 0 FGADHM Cc1c(NC(=O)N[C@H](C)Cc2ccccc2F)cccc1-c1nnn[n-]1 ZINC000822090720 607287333 /nfs/dbraw/zinc/28/73/33/607287333.db2.gz MGQGDCOPONWXTN-LLVKDONJSA-N -1 3 354.389 3.067 20 0 FGADHM Cc1c(NC(=O)N[C@H](C)Cc2ccccc2F)cccc1-c1nn[n-]n1 ZINC000822090720 607287334 /nfs/dbraw/zinc/28/73/34/607287334.db2.gz MGQGDCOPONWXTN-LLVKDONJSA-N -1 3 354.389 3.067 20 0 FGADHM Cc1ccc(Br)cc1C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000822224821 607295134 /nfs/dbraw/zinc/29/51/34/607295134.db2.gz BJWJZRLWODWAAW-UHFFFAOYSA-N -1 3 372.226 3.498 20 0 FGADHM Cc1ccc(Br)cc1C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000822224821 607295135 /nfs/dbraw/zinc/29/51/35/607295135.db2.gz BJWJZRLWODWAAW-UHFFFAOYSA-N -1 3 372.226 3.498 20 0 FGADHM Cc1c(NC(=O)[C@@H](C)Oc2ccccc2Cl)cccc1-c1nnn[n-]1 ZINC000822061541 607297287 /nfs/dbraw/zinc/29/72/87/607297287.db2.gz PQSSZLJOBKNLKF-LLVKDONJSA-N -1 3 357.801 3.235 20 0 FGADHM Cc1c(NC(=O)[C@@H](C)Oc2ccccc2Cl)cccc1-c1nn[n-]n1 ZINC000822061541 607297288 /nfs/dbraw/zinc/29/72/88/607297288.db2.gz PQSSZLJOBKNLKF-LLVKDONJSA-N -1 3 357.801 3.235 20 0 FGADHM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)cn1)c1cccc(Cl)c1Cl ZINC000736119371 599261404 /nfs/dbraw/zinc/26/14/04/599261404.db2.gz OPHVYZAWPUZGKE-MRVPVSSYSA-N -1 3 363.208 3.060 20 0 FGADHM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)cn1)c1cccc(Cl)c1Cl ZINC000736119371 599261406 /nfs/dbraw/zinc/26/14/06/599261406.db2.gz OPHVYZAWPUZGKE-MRVPVSSYSA-N -1 3 363.208 3.060 20 0 FGADHM Clc1ccc(-c2nnn[n-]2)c(NCc2cccc3c2OCCCO3)c1 ZINC000822567673 607307423 /nfs/dbraw/zinc/30/74/23/607307423.db2.gz DWNOBNDIUHCKMQ-UHFFFAOYSA-N -1 3 357.801 3.294 20 0 FGADHM Clc1ccc(-c2nn[n-]n2)c(NCc2cccc3c2OCCCO3)c1 ZINC000822567673 607307424 /nfs/dbraw/zinc/30/74/24/607307424.db2.gz DWNOBNDIUHCKMQ-UHFFFAOYSA-N -1 3 357.801 3.294 20 0 FGADHM COc1cc2nc(C)sc2cc1NCc1ccc(-c2nnn[n-]2)s1 ZINC000821727950 607314881 /nfs/dbraw/zinc/31/48/81/607314881.db2.gz PUWYSIAFDAQQAL-UHFFFAOYSA-N -1 3 358.452 3.467 20 0 FGADHM Clc1cc(NCc2ccc(-c3nnn[n-]3)s2)ccc1-n1ccnc1 ZINC000822567934 607315156 /nfs/dbraw/zinc/31/51/56/607315156.db2.gz JAZPUUOCBUVLKD-UHFFFAOYSA-N -1 3 357.830 3.379 20 0 FGADHM Clc1cc(NCc2ccc(-c3nn[n-]n3)s2)ccc1-n1ccnc1 ZINC000822567934 607315157 /nfs/dbraw/zinc/31/51/57/607315157.db2.gz JAZPUUOCBUVLKD-UHFFFAOYSA-N -1 3 357.830 3.379 20 0 FGADHM O=C1CCCCN1Cc1cccc(NCc2cc(-c3nnn[n-]3)cs2)c1 ZINC000823530746 607315552 /nfs/dbraw/zinc/31/55/52/607315552.db2.gz QQZZFNPDHOOVAE-UHFFFAOYSA-N -1 3 368.466 3.053 20 0 FGADHM O=C1CCCCN1Cc1cccc(NCc2cc(-c3nn[n-]n3)cs2)c1 ZINC000823530746 607315553 /nfs/dbraw/zinc/31/55/53/607315553.db2.gz QQZZFNPDHOOVAE-UHFFFAOYSA-N -1 3 368.466 3.053 20 0 FGADHM CCc1ccc([C@H]2CCCN2C(=O)NCc2cccc(-c3nnn[n-]3)c2)o1 ZINC000736684270 599275788 /nfs/dbraw/zinc/27/57/88/599275788.db2.gz GNMGJMMQLQKEHX-MRXNPFEDSA-N -1 3 366.425 3.069 20 0 FGADHM CCc1ccc([C@H]2CCCN2C(=O)NCc2cccc(-c3nn[n-]n3)c2)o1 ZINC000736684270 599275789 /nfs/dbraw/zinc/27/57/89/599275789.db2.gz GNMGJMMQLQKEHX-MRXNPFEDSA-N -1 3 366.425 3.069 20 0 FGADHM CCc1ccc([C@H]2CCCN2C(=O)NCc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000736686819 599275892 /nfs/dbraw/zinc/27/58/92/599275892.db2.gz QWWYWAAEOOFNJZ-MRXNPFEDSA-N -1 3 366.425 3.069 20 0 FGADHM CCc1ccc([C@H]2CCCN2C(=O)NCc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000736686819 599275896 /nfs/dbraw/zinc/27/58/96/599275896.db2.gz QWWYWAAEOOFNJZ-MRXNPFEDSA-N -1 3 366.425 3.069 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)Cc1ccccc1C ZINC000736488408 599277604 /nfs/dbraw/zinc/27/76/04/599277604.db2.gz OLAJENOQJCLXBA-UHFFFAOYSA-N -1 3 350.426 3.178 20 0 FGADHM O=C(C=Cc1ccnc2ccccc12)OCc1cccc(-c2nnn[n-]2)c1 ZINC000737807526 599278456 /nfs/dbraw/zinc/27/84/56/599278456.db2.gz PCJHECGFFPBEIO-CMDGGOBGSA-N -1 3 357.373 3.172 20 0 FGADHM O=C(C=Cc1ccnc2ccccc12)OCc1cccc(-c2nn[n-]n2)c1 ZINC000737807526 599278458 /nfs/dbraw/zinc/27/84/58/599278458.db2.gz PCJHECGFFPBEIO-CMDGGOBGSA-N -1 3 357.373 3.172 20 0 FGADHM Cc1occc1CNC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000822552931 599287523 /nfs/dbraw/zinc/28/75/23/599287523.db2.gz FSFPWDZINRAOPP-UHFFFAOYSA-N -1 3 366.303 3.109 20 0 FGADHM Cc1occc1CNC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000822552931 599287526 /nfs/dbraw/zinc/28/75/26/599287526.db2.gz FSFPWDZINRAOPP-UHFFFAOYSA-N -1 3 366.303 3.109 20 0 FGADHM CC1(C)CCCN1C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820596872 599288456 /nfs/dbraw/zinc/28/84/56/599288456.db2.gz SQJLVYRUPVMHRX-UHFFFAOYSA-N -1 3 354.336 3.292 20 0 FGADHM CC1(C)CCCN1C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820596872 599288458 /nfs/dbraw/zinc/28/84/58/599288458.db2.gz SQJLVYRUPVMHRX-UHFFFAOYSA-N -1 3 354.336 3.292 20 0 FGADHM C[C@@H](Sc1n[nH]c(Cc2cccs2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736189825 599289397 /nfs/dbraw/zinc/28/93/97/599289397.db2.gz CFQMWIXFNBUCJB-SNVBAGLBSA-N -1 3 369.479 3.490 20 0 FGADHM CC1=NN(c2ccc(C(=O)Nc3cccc(-c4nnn[n-]4)c3C)cc2)CC1 ZINC000820642682 607321622 /nfs/dbraw/zinc/32/16/22/607321622.db2.gz KWPBZHTYSMXOAV-UHFFFAOYSA-N -1 3 361.409 3.013 20 0 FGADHM CC1=NN(c2ccc(C(=O)Nc3cccc(-c4nn[n-]n4)c3C)cc2)CC1 ZINC000820642682 607321623 /nfs/dbraw/zinc/32/16/23/607321623.db2.gz KWPBZHTYSMXOAV-UHFFFAOYSA-N -1 3 361.409 3.013 20 0 FGADHM CC(C)[C@H](C)N(C)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820017168 599291199 /nfs/dbraw/zinc/29/11/99/599291199.db2.gz UFDSREXIVVCTIY-VIFPVBQESA-N -1 3 356.352 3.394 20 0 FGADHM CC(C)[C@H](C)N(C)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820017168 599291202 /nfs/dbraw/zinc/29/12/02/599291202.db2.gz UFDSREXIVVCTIY-VIFPVBQESA-N -1 3 356.352 3.394 20 0 FGADHM Cc1cc(C)n(-c2ccc([C@@H](C)Nc3ccc(-c4nnn[n-]4)nc3)cc2)n1 ZINC000822197520 607328651 /nfs/dbraw/zinc/32/86/51/607328651.db2.gz DPGVZSOARUFNDR-CQSZACIVSA-N -1 3 360.425 3.237 20 0 FGADHM Cc1cc(C)n(-c2ccc([C@@H](C)Nc3ccc(-c4nn[n-]n4)nc3)cc2)n1 ZINC000822197520 607328652 /nfs/dbraw/zinc/32/86/52/607328652.db2.gz DPGVZSOARUFNDR-CQSZACIVSA-N -1 3 360.425 3.237 20 0 FGADHM Cc1cc(C)n(-c2ccc([C@H](C)Nc3ccc(-c4nnn[n-]4)nc3)cc2)n1 ZINC000822197519 607328793 /nfs/dbraw/zinc/32/87/93/607328793.db2.gz DPGVZSOARUFNDR-AWEZNQCLSA-N -1 3 360.425 3.237 20 0 FGADHM Cc1cc(C)n(-c2ccc([C@H](C)Nc3ccc(-c4nn[n-]n4)nc3)cc2)n1 ZINC000822197519 607328794 /nfs/dbraw/zinc/32/87/94/607328794.db2.gz DPGVZSOARUFNDR-AWEZNQCLSA-N -1 3 360.425 3.237 20 0 FGADHM Clc1cc(N[C@H]2CCOC3(CCSCC3)C2)ccc1-c1nnn[n-]1 ZINC000822568158 607331433 /nfs/dbraw/zinc/33/14/33/607331433.db2.gz MNZLOJLKDYAYDO-LBPRGKRZSA-N -1 3 365.890 3.377 20 0 FGADHM Clc1cc(N[C@H]2CCOC3(CCSCC3)C2)ccc1-c1nn[n-]n1 ZINC000822568158 607331434 /nfs/dbraw/zinc/33/14/34/607331434.db2.gz MNZLOJLKDYAYDO-LBPRGKRZSA-N -1 3 365.890 3.377 20 0 FGADHM Cc1cccnc1CNC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000737434394 598241349 /nfs/dbraw/zinc/24/13/49/598241349.db2.gz JJZFBQORAKIHAS-UHFFFAOYSA-N -1 3 370.416 3.167 20 0 FGADHM Cc1cccnc1CNC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000737434394 598241350 /nfs/dbraw/zinc/24/13/50/598241350.db2.gz JJZFBQORAKIHAS-UHFFFAOYSA-N -1 3 370.416 3.167 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N1CC[C@H](c2cccc(F)c2)C1 ZINC000737802947 598242838 /nfs/dbraw/zinc/24/28/38/598242838.db2.gz YWQYILOBUUEKQH-QWGSZXSUSA-N -1 3 363.396 3.035 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N1CC[C@H](c2cccc(F)c2)C1 ZINC000737802947 598242840 /nfs/dbraw/zinc/24/28/40/598242840.db2.gz YWQYILOBUUEKQH-QWGSZXSUSA-N -1 3 363.396 3.035 20 0 FGADHM Cc1ccc2[nH]c3c(c2c1)CN(Cc1ccc(-c2nnn[n-]2)cc1F)CC3 ZINC000737372976 598251168 /nfs/dbraw/zinc/25/11/68/598251168.db2.gz OPRTWRRLWJPUOK-UHFFFAOYSA-N -1 3 362.412 3.354 20 0 FGADHM Cc1ccc2[nH]c3c(c2c1)CN(Cc1ccc(-c2nn[n-]n2)cc1F)CC3 ZINC000737372976 598251169 /nfs/dbraw/zinc/25/11/69/598251169.db2.gz OPRTWRRLWJPUOK-UHFFFAOYSA-N -1 3 362.412 3.354 20 0 FGADHM Cc1cccc2c1CC[C@@H]2NC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000737411363 598272948 /nfs/dbraw/zinc/27/29/48/598272948.db2.gz WXJOXDWUPNHTOG-SFHVURJKSA-N -1 3 362.437 3.004 20 0 FGADHM Cc1cccc2c1CC[C@@H]2NC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000737411363 598272949 /nfs/dbraw/zinc/27/29/49/598272949.db2.gz WXJOXDWUPNHTOG-SFHVURJKSA-N -1 3 362.437 3.004 20 0 FGADHM CCOC(=O)[C@@H](C)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000736586021 598273946 /nfs/dbraw/zinc/27/39/46/598273946.db2.gz LHZUIVRCARINHY-CYBMUJFWSA-N -1 3 367.409 3.331 20 0 FGADHM CCOC(=O)[C@@H](C)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000736586021 598273948 /nfs/dbraw/zinc/27/39/48/598273948.db2.gz LHZUIVRCARINHY-CYBMUJFWSA-N -1 3 367.409 3.331 20 0 FGADHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1N1CCN(c2ccccc2)CC1 ZINC000737627923 598274109 /nfs/dbraw/zinc/27/41/09/598274109.db2.gz RTFRFRLIZBVCEF-UHFFFAOYSA-N -1 3 374.370 3.212 20 0 FGADHM CCCN(CC(F)(F)F)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736469774 598281126 /nfs/dbraw/zinc/28/11/26/598281126.db2.gz LYNOWDKQWWYWJP-UHFFFAOYSA-N -1 3 373.383 3.229 20 0 FGADHM CCCN(CC(F)(F)F)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736469774 598281127 /nfs/dbraw/zinc/28/11/27/598281127.db2.gz LYNOWDKQWWYWJP-UHFFFAOYSA-N -1 3 373.383 3.229 20 0 FGADHM CSCc1ccc(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000737180536 598281854 /nfs/dbraw/zinc/28/18/54/598281854.db2.gz BWRKPLGGHBRMSB-UHFFFAOYSA-N -1 3 357.414 3.145 20 0 FGADHM CSCc1ccc(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000737180536 598281855 /nfs/dbraw/zinc/28/18/55/598281855.db2.gz BWRKPLGGHBRMSB-UHFFFAOYSA-N -1 3 357.414 3.145 20 0 FGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)N[C@@H]1CCCCc2ccccc21 ZINC000738101993 598284461 /nfs/dbraw/zinc/28/44/61/598284461.db2.gz NZVNSYJCNOKLPI-GOSISDBHSA-N -1 3 362.437 3.134 20 0 FGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)N[C@@H]1CCCCc2ccccc21 ZINC000738101993 598284462 /nfs/dbraw/zinc/28/44/62/598284462.db2.gz NZVNSYJCNOKLPI-GOSISDBHSA-N -1 3 362.437 3.134 20 0 FGADHM Cc1cc(C)cc(-c2cc(NC(=O)c3cccc(-c4nnn[n-]4)c3)n[nH]2)c1 ZINC000737248047 598286680 /nfs/dbraw/zinc/28/66/80/598286680.db2.gz DGBKDZDDBHTPLI-UHFFFAOYSA-N -1 3 359.393 3.126 20 0 FGADHM Cc1cc(C)cc(-c2cc(NC(=O)c3cccc(-c4nn[n-]n4)c3)n[nH]2)c1 ZINC000737248047 598286681 /nfs/dbraw/zinc/28/66/81/598286681.db2.gz DGBKDZDDBHTPLI-UHFFFAOYSA-N -1 3 359.393 3.126 20 0 FGADHM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000737318511 598290371 /nfs/dbraw/zinc/29/03/71/598290371.db2.gz VVXYHLVGLAATIH-UHFFFAOYSA-N -1 3 370.478 3.447 20 0 FGADHM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000737318511 598290372 /nfs/dbraw/zinc/29/03/72/598290372.db2.gz VVXYHLVGLAATIH-UHFFFAOYSA-N -1 3 370.478 3.447 20 0 FGADHM CC(C)(C)OCc1cccc(CNC(=O)c2sccc2-c2nnn[n-]2)c1 ZINC000735639848 598296730 /nfs/dbraw/zinc/29/67/30/598296730.db2.gz QJQSQBKBJUPCFA-UHFFFAOYSA-N -1 3 371.466 3.173 20 0 FGADHM CC(C)(C)OCc1cccc(CNC(=O)c2sccc2-c2nn[n-]n2)c1 ZINC000735639848 598296732 /nfs/dbraw/zinc/29/67/32/598296732.db2.gz QJQSQBKBJUPCFA-UHFFFAOYSA-N -1 3 371.466 3.173 20 0 FGADHM Cc1c2ccccc2oc1C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000737204256 598311857 /nfs/dbraw/zinc/31/18/57/598311857.db2.gz YNTRQUZIOVHCDC-UHFFFAOYSA-N -1 3 351.341 3.337 20 0 FGADHM Cc1c2ccccc2oc1C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000737204256 598311858 /nfs/dbraw/zinc/31/18/58/598311858.db2.gz YNTRQUZIOVHCDC-UHFFFAOYSA-N -1 3 351.341 3.337 20 0 FGADHM S=C(NCc1cccs1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000738400913 598317611 /nfs/dbraw/zinc/31/76/11/598317611.db2.gz JPWSDNREWLFWMB-UHFFFAOYSA-N -1 3 350.860 3.068 20 0 FGADHM S=C(NCc1cccs1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000738400913 598317613 /nfs/dbraw/zinc/31/76/13/598317613.db2.gz JPWSDNREWLFWMB-UHFFFAOYSA-N -1 3 350.860 3.068 20 0 FGADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)c1cccc(F)c1F ZINC000737026994 598325419 /nfs/dbraw/zinc/32/54/19/598325419.db2.gz WDFNFBDPHXKMQN-UHFFFAOYSA-N -1 3 366.711 3.026 20 0 FGADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)c1cccc(F)c1F ZINC000737026994 598325420 /nfs/dbraw/zinc/32/54/20/598325420.db2.gz WDFNFBDPHXKMQN-UHFFFAOYSA-N -1 3 366.711 3.026 20 0 FGADHM CCCN(CCC)C(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000736473163 598325744 /nfs/dbraw/zinc/32/57/44/598325744.db2.gz IOWXIZSKIGEPGZ-UHFFFAOYSA-N -1 3 369.425 3.301 20 0 FGADHM CCCN(CCC)C(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000736473163 598325746 /nfs/dbraw/zinc/32/57/46/598325746.db2.gz IOWXIZSKIGEPGZ-UHFFFAOYSA-N -1 3 369.425 3.301 20 0 FGADHM CC(C)N(Cc1ccccc1)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000735874662 598327771 /nfs/dbraw/zinc/32/77/71/598327771.db2.gz TZUBZDXJEPEPDV-UHFFFAOYSA-N -1 3 368.416 3.126 20 0 FGADHM CC(C)N(Cc1ccccc1)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000735874662 598327772 /nfs/dbraw/zinc/32/77/72/598327772.db2.gz TZUBZDXJEPEPDV-UHFFFAOYSA-N -1 3 368.416 3.126 20 0 FGADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)Oc1ccccc1OC(F)F ZINC000737853007 598361166 /nfs/dbraw/zinc/36/11/66/598361166.db2.gz IOQFOQMFICLHOI-UHFFFAOYSA-N -1 3 360.320 3.006 20 0 FGADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)Oc1ccccc1OC(F)F ZINC000737853007 598361168 /nfs/dbraw/zinc/36/11/68/598361168.db2.gz IOQFOQMFICLHOI-UHFFFAOYSA-N -1 3 360.320 3.006 20 0 FGADHM COC(=O)c1sc2ccccc2c1COc1ccccc1-c1nnn[n-]1 ZINC000736957640 598363424 /nfs/dbraw/zinc/36/34/24/598363424.db2.gz VHSUTXUBZOLDOR-UHFFFAOYSA-N -1 3 366.402 3.447 20 0 FGADHM COC(=O)c1sc2ccccc2c1COc1ccccc1-c1nn[n-]n1 ZINC000736957640 598363426 /nfs/dbraw/zinc/36/34/26/598363426.db2.gz VHSUTXUBZOLDOR-UHFFFAOYSA-N -1 3 366.402 3.447 20 0 FGADHM CC(C)[C@@H](C)N(CC(F)(F)F)C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000735703993 598379254 /nfs/dbraw/zinc/37/92/54/598379254.db2.gz YOYHXQSDYDWRDW-JLVNDZCYSA-N -1 3 367.375 3.315 20 0 FGADHM CC(C)[C@@H](C)N(CC(F)(F)F)C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000735703993 598379256 /nfs/dbraw/zinc/37/92/56/598379256.db2.gz YOYHXQSDYDWRDW-JLVNDZCYSA-N -1 3 367.375 3.315 20 0 FGADHM Brc1ccc(CNc2nc3c(cc2-c2nnn[n-]2)CCC3)cc1 ZINC000735368923 598387616 /nfs/dbraw/zinc/38/76/16/598387616.db2.gz PLDQMGOXKQCEFV-UHFFFAOYSA-N -1 3 371.242 3.125 20 0 FGADHM Brc1ccc(CNc2nc3c(cc2-c2nn[n-]n2)CCC3)cc1 ZINC000735368923 598387618 /nfs/dbraw/zinc/38/76/18/598387618.db2.gz PLDQMGOXKQCEFV-UHFFFAOYSA-N -1 3 371.242 3.125 20 0 FGADHM FC(F)Oc1ccccc1CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC000737640089 598388664 /nfs/dbraw/zinc/38/86/64/598388664.db2.gz ZUKFLBVTHIGNIS-UHFFFAOYSA-N -1 3 352.732 3.129 20 0 FGADHM FC(F)Oc1ccccc1CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC000737640089 598388666 /nfs/dbraw/zinc/38/86/66/598388666.db2.gz ZUKFLBVTHIGNIS-UHFFFAOYSA-N -1 3 352.732 3.129 20 0 FGADHM Clc1cc(-c2nnn[n-]2)cnc1NCCCCOCCc1ccccc1 ZINC000737558886 598391378 /nfs/dbraw/zinc/39/13/78/598391378.db2.gz QVQGCEOVSJCXSG-UHFFFAOYSA-N -1 3 372.860 3.367 20 0 FGADHM Clc1cc(-c2nn[n-]n2)cnc1NCCCCOCCc1ccccc1 ZINC000737558886 598391379 /nfs/dbraw/zinc/39/13/79/598391379.db2.gz QVQGCEOVSJCXSG-UHFFFAOYSA-N -1 3 372.860 3.367 20 0 FGADHM Cc1ccc2c(CCNc3ncc(-c4nnn[n-]4)cc3Cl)c[nH]c2c1 ZINC000737372216 598393590 /nfs/dbraw/zinc/39/35/90/598393590.db2.gz WAHGRWOUGXSUDM-UHFFFAOYSA-N -1 3 353.817 3.359 20 0 FGADHM Cc1ccc2c(CCNc3ncc(-c4nn[n-]n4)cc3Cl)c[nH]c2c1 ZINC000737372216 598393592 /nfs/dbraw/zinc/39/35/92/598393592.db2.gz WAHGRWOUGXSUDM-UHFFFAOYSA-N -1 3 353.817 3.359 20 0 FGADHM C[C@H](NC(=O)c1c[nH]c2cc(Cl)ccc12)c1ccc(-c2nnn[n-]2)cc1 ZINC000736115285 598400843 /nfs/dbraw/zinc/40/08/43/598400843.db2.gz GXONWRHCGOWEEV-JTQLQIEISA-N -1 3 366.812 3.492 20 0 FGADHM C[C@H](NC(=O)c1c[nH]c2cc(Cl)ccc12)c1ccc(-c2nn[n-]n2)cc1 ZINC000736115285 598400845 /nfs/dbraw/zinc/40/08/45/598400845.db2.gz GXONWRHCGOWEEV-JTQLQIEISA-N -1 3 366.812 3.492 20 0 FGADHM COc1cc(Cl)ccc1CNC(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000737046855 598434758 /nfs/dbraw/zinc/43/47/58/598434758.db2.gz GNIOHZXOQBOCOQ-UHFFFAOYSA-N -1 3 374.857 3.015 20 0 FGADHM COc1cc(Cl)ccc1CNC(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000737046855 598434760 /nfs/dbraw/zinc/43/47/60/598434760.db2.gz GNIOHZXOQBOCOQ-UHFFFAOYSA-N -1 3 374.857 3.015 20 0 FGADHM Cc1ccc2cccc(NC(=O)[C@@H](C)Oc3ccccc3-c3nnn[n-]3)c2n1 ZINC000737372992 598445922 /nfs/dbraw/zinc/44/59/22/598445922.db2.gz AMQCAINJEOZBFS-CYBMUJFWSA-N -1 3 374.404 3.129 20 0 FGADHM Cc1ccc2cccc(NC(=O)[C@@H](C)Oc3ccccc3-c3nn[n-]n3)c2n1 ZINC000737372992 598445924 /nfs/dbraw/zinc/44/59/24/598445924.db2.gz AMQCAINJEOZBFS-CYBMUJFWSA-N -1 3 374.404 3.129 20 0 FGADHM O=C(Nc1cccc(COc2ccccc2)c1)c1ccc(-c2nnn[n-]2)cn1 ZINC000738183776 598448067 /nfs/dbraw/zinc/44/80/67/598448067.db2.gz NSOJKAGNHLABAU-UHFFFAOYSA-N -1 3 372.388 3.093 20 0 FGADHM O=C(Nc1cccc(COc2ccccc2)c1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738183776 598448068 /nfs/dbraw/zinc/44/80/68/598448068.db2.gz NSOJKAGNHLABAU-UHFFFAOYSA-N -1 3 372.388 3.093 20 0 FGADHM Clc1cc(NCc2ccc(-c3nnn[n-]3)cc2)ccc1-n1cccn1 ZINC000737563997 598458548 /nfs/dbraw/zinc/45/85/48/598458548.db2.gz JBQQWDVLDUVPQY-UHFFFAOYSA-N -1 3 351.801 3.318 20 0 FGADHM Clc1cc(NCc2ccc(-c3nn[n-]n3)cc2)ccc1-n1cccn1 ZINC000737563997 598458549 /nfs/dbraw/zinc/45/85/49/598458549.db2.gz JBQQWDVLDUVPQY-UHFFFAOYSA-N -1 3 351.801 3.318 20 0 FGADHM CCn1c(CN(C)Cc2cccc(-c3nn[n-]n3)c2)nc2cc(F)ccc21 ZINC000736720434 598460674 /nfs/dbraw/zinc/46/06/74/598460674.db2.gz QICFABJGBDHAME-UHFFFAOYSA-N -1 3 365.416 3.007 20 0 FGADHM CC(C)(C)SCCNC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000735644103 598467756 /nfs/dbraw/zinc/46/77/56/598467756.db2.gz UXMLAEHVJAADMP-UHFFFAOYSA-N -1 3 365.507 3.076 20 0 FGADHM CC(C)(C)SCCNC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000735644103 598467755 /nfs/dbraw/zinc/46/77/55/598467755.db2.gz UXMLAEHVJAADMP-UHFFFAOYSA-N -1 3 365.507 3.076 20 0 FGADHM Cc1nc(NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)sc1C ZINC000737482070 598468422 /nfs/dbraw/zinc/46/84/22/598468422.db2.gz GLWGMKLWGPPTJE-UHFFFAOYSA-N -1 3 369.454 3.137 20 0 FGADHM Cc1nc(NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)sc1C ZINC000737482070 598468424 /nfs/dbraw/zinc/46/84/24/598468424.db2.gz GLWGMKLWGPPTJE-UHFFFAOYSA-N -1 3 369.454 3.137 20 0 FGADHM C[C@H](OC(=O)Cc1c[nH]c2cc(F)ccc12)c1cccc(-c2nnn[n-]2)c1 ZINC000736155405 598482771 /nfs/dbraw/zinc/48/27/71/598482771.db2.gz MQLPRSZDFNLZFX-NSHDSACASA-N -1 3 365.368 3.334 20 0 FGADHM C[C@H](OC(=O)Cc1c[nH]c2cc(F)ccc12)c1cccc(-c2nn[n-]n2)c1 ZINC000736155405 598482772 /nfs/dbraw/zinc/48/27/72/598482772.db2.gz MQLPRSZDFNLZFX-NSHDSACASA-N -1 3 365.368 3.334 20 0 FGADHM C[C@@H](OC(=O)CCOc1cccc(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000736147564 598486055 /nfs/dbraw/zinc/48/60/55/598486055.db2.gz CEMYDCONWAKPFY-GFCCVEGCSA-N -1 3 356.357 3.079 20 0 FGADHM C[C@@H](OC(=O)CCOc1cccc(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000736147564 598486058 /nfs/dbraw/zinc/48/60/58/598486058.db2.gz CEMYDCONWAKPFY-GFCCVEGCSA-N -1 3 356.357 3.079 20 0 FGADHM C[C@@H](OC(=O)COc1cccc(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000736156783 598487983 /nfs/dbraw/zinc/48/79/83/598487983.db2.gz WYOKOEVJNCXAMQ-LLVKDONJSA-N -1 3 358.785 3.203 20 0 FGADHM C[C@@H](OC(=O)COc1cccc(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000736156783 598487984 /nfs/dbraw/zinc/48/79/84/598487984.db2.gz WYOKOEVJNCXAMQ-LLVKDONJSA-N -1 3 358.785 3.203 20 0 FGADHM C[C@H](Cc1cccc(F)c1)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736058798 598491018 /nfs/dbraw/zinc/49/10/18/598491018.db2.gz PJAJRFCNYYNKGA-GFCCVEGCSA-N -1 3 370.432 3.380 20 0 FGADHM C[C@H](Cc1cccc(F)c1)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736058798 598491019 /nfs/dbraw/zinc/49/10/19/598491019.db2.gz PJAJRFCNYYNKGA-GFCCVEGCSA-N -1 3 370.432 3.380 20 0 FGADHM O=C(Cc1c[nH]c2cc(Cl)ccc12)Nc1sccc1-c1nnn[n-]1 ZINC000737954940 598497465 /nfs/dbraw/zinc/49/74/65/598497465.db2.gz SVIUSNVYHOPVBC-UHFFFAOYSA-N -1 3 358.814 3.244 20 0 FGADHM O=C(Cc1c[nH]c2cc(Cl)ccc12)Nc1sccc1-c1nn[n-]n1 ZINC000737954940 598497467 /nfs/dbraw/zinc/49/74/67/598497467.db2.gz SVIUSNVYHOPVBC-UHFFFAOYSA-N -1 3 358.814 3.244 20 0 FGADHM C[C@H]1C[C@H]1NC(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000736236576 598501174 /nfs/dbraw/zinc/50/11/74/598501174.db2.gz KKCFBNGIKKITKH-SMDDNHRTSA-N -1 3 351.435 3.156 20 0 FGADHM C[C@H]1C[C@H]1NC(=O)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC000736236576 598501175 /nfs/dbraw/zinc/50/11/75/598501175.db2.gz KKCFBNGIKKITKH-SMDDNHRTSA-N -1 3 351.435 3.156 20 0 FGADHM CCc1c(C)sc(NC(=O)CSCc2ccccn2)c1-c1nnn[n-]1 ZINC000736676912 598516302 /nfs/dbraw/zinc/51/63/02/598516302.db2.gz VHCNRGOGHMSCHK-UHFFFAOYSA-N -1 3 374.495 3.066 20 0 FGADHM CCc1c(C)sc(NC(=O)CSCc2ccccn2)c1-c1nn[n-]n1 ZINC000736676912 598516304 /nfs/dbraw/zinc/51/63/04/598516304.db2.gz VHCNRGOGHMSCHK-UHFFFAOYSA-N -1 3 374.495 3.066 20 0 FGADHM CCc1c(C)sc(NC(=O)C2=Cc3ccccc3OC2)c1-c1nnn[n-]1 ZINC000736672100 598516865 /nfs/dbraw/zinc/51/68/65/598516865.db2.gz YICJIZJWBSCEEU-UHFFFAOYSA-N -1 3 367.434 3.214 20 0 FGADHM CCc1c(C)sc(NC(=O)C2=Cc3ccccc3OC2)c1-c1nn[n-]n1 ZINC000736672100 598516867 /nfs/dbraw/zinc/51/68/67/598516867.db2.gz YICJIZJWBSCEEU-UHFFFAOYSA-N -1 3 367.434 3.214 20 0 FGADHM CCC[C@@H](Cc1ccccc1)NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000736426054 598518123 /nfs/dbraw/zinc/51/81/23/598518123.db2.gz NWRYXLGUALUVBH-HWOXTHGCSA-N -1 3 361.449 3.408 20 0 FGADHM CCC[C@@H](Cc1ccccc1)NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000736426054 598518125 /nfs/dbraw/zinc/51/81/25/598518125.db2.gz NWRYXLGUALUVBH-HWOXTHGCSA-N -1 3 361.449 3.408 20 0 FGADHM CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736352602 598527079 /nfs/dbraw/zinc/52/70/79/598527079.db2.gz TUYNINLCNPWXLC-KSSFIOAISA-N -1 3 364.453 3.248 20 0 FGADHM CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736352602 598527080 /nfs/dbraw/zinc/52/70/80/598527080.db2.gz TUYNINLCNPWXLC-KSSFIOAISA-N -1 3 364.453 3.248 20 0 FGADHM CCCC[C@H]1CCC[C@@H]1NC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736442296 598528272 /nfs/dbraw/zinc/52/82/72/598528272.db2.gz WHRWBCCZRJWFIP-RDJZCZTQSA-N -1 3 356.474 3.367 20 0 FGADHM CCCC[C@H]1CCC[C@@H]1NC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736442296 598528273 /nfs/dbraw/zinc/52/82/73/598528273.db2.gz WHRWBCCZRJWFIP-RDJZCZTQSA-N -1 3 356.474 3.367 20 0 FGADHM CCc1ccc([C@H](C)C(=O)OCCOc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736691756 598533077 /nfs/dbraw/zinc/53/30/77/598533077.db2.gz YEOJOEGBLJFSDM-AWEZNQCLSA-N -1 3 366.421 3.155 20 0 FGADHM CCc1ccc([C@@H](C)C(=O)OCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000736684997 598533276 /nfs/dbraw/zinc/53/32/76/598533276.db2.gz CRFSJCGIIBHFFW-GFCCVEGCSA-N -1 3 354.385 3.415 20 0 FGADHM CCc1ccc([C@@H](C)C(=O)OCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000736684997 598533278 /nfs/dbraw/zinc/53/32/78/598533278.db2.gz CRFSJCGIIBHFFW-GFCCVEGCSA-N -1 3 354.385 3.415 20 0 FGADHM O=C(c1ccc(-c2nnn[n-]2)cc1)N(Cc1cscn1)c1ccccc1 ZINC000738253151 598535882 /nfs/dbraw/zinc/53/58/82/598535882.db2.gz ACQFGTKGIHURQU-UHFFFAOYSA-N -1 3 362.418 3.170 20 0 FGADHM O=C(c1ccc(-c2nn[n-]n2)cc1)N(Cc1cscn1)c1ccccc1 ZINC000738253151 598535884 /nfs/dbraw/zinc/53/58/84/598535884.db2.gz ACQFGTKGIHURQU-UHFFFAOYSA-N -1 3 362.418 3.170 20 0 FGADHM CS[C@H](C)C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737170353 598544206 /nfs/dbraw/zinc/54/42/06/598544206.db2.gz JEPCHYLPXPMRDM-GFCCVEGCSA-N -1 3 369.450 3.136 20 0 FGADHM CS[C@H](C)C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737170353 598544207 /nfs/dbraw/zinc/54/42/07/598544207.db2.gz JEPCHYLPXPMRDM-GFCCVEGCSA-N -1 3 369.450 3.136 20 0 FGADHM C[C@H]1C[C@H]1CNC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736235866 598563003 /nfs/dbraw/zinc/56/30/03/598563003.db2.gz HPFLVKSOFFMHRU-JSGCOSHPSA-N -1 3 364.409 3.437 20 0 FGADHM C[C@H]1C[C@H]1CNC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736235866 598563004 /nfs/dbraw/zinc/56/30/04/598563004.db2.gz HPFLVKSOFFMHRU-JSGCOSHPSA-N -1 3 364.409 3.437 20 0 FGADHM C[C@@H]1C[C@@H]1NC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736235120 598565346 /nfs/dbraw/zinc/56/53/46/598565346.db2.gz DEZZKINGTQHYLW-BZNIZROVSA-N -1 3 350.382 3.189 20 0 FGADHM C[C@@H]1C[C@@H]1NC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736235120 598565347 /nfs/dbraw/zinc/56/53/47/598565347.db2.gz DEZZKINGTQHYLW-BZNIZROVSA-N -1 3 350.382 3.189 20 0 FGADHM O=C(Nc1ccccc1-c1nnn[n-]1)c1cnc(-c2ccccc2F)s1 ZINC000738190369 598572562 /nfs/dbraw/zinc/57/25/62/598572562.db2.gz DPGYDBQIDJVKHS-UHFFFAOYSA-N -1 3 366.381 3.382 20 0 FGADHM O=C(Nc1ccccc1-c1nn[n-]n1)c1cnc(-c2ccccc2F)s1 ZINC000738190369 598572563 /nfs/dbraw/zinc/57/25/63/598572563.db2.gz DPGYDBQIDJVKHS-UHFFFAOYSA-N -1 3 366.381 3.382 20 0 FGADHM Cc1ccc(-c2nc(C(=O)Nc3ccccc3-c3nnn[n-]3)cs2)o1 ZINC000737288191 598573353 /nfs/dbraw/zinc/57/33/53/598573353.db2.gz LPMMUPORGJPBBN-UHFFFAOYSA-N -1 3 352.379 3.144 20 0 FGADHM Cc1ccc(-c2nc(C(=O)Nc3ccccc3-c3nn[n-]n3)cs2)o1 ZINC000737288191 598573354 /nfs/dbraw/zinc/57/33/54/598573354.db2.gz LPMMUPORGJPBBN-UHFFFAOYSA-N -1 3 352.379 3.144 20 0 FGADHM O=C(Nc1ccccc1-c1nnn[n-]1)c1cccc(OCc2cccnc2)c1 ZINC000738192512 598573903 /nfs/dbraw/zinc/57/39/03/598573903.db2.gz SDUHBUCBNUCNFR-UHFFFAOYSA-N -1 3 372.388 3.093 20 0 FGADHM O=C(Nc1ccccc1-c1nn[n-]n1)c1cccc(OCc2cccnc2)c1 ZINC000738192512 598573905 /nfs/dbraw/zinc/57/39/05/598573905.db2.gz SDUHBUCBNUCNFR-UHFFFAOYSA-N -1 3 372.388 3.093 20 0 FGADHM O=C(CSCc1ccc(F)cc1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737936849 598591174 /nfs/dbraw/zinc/59/11/74/598591174.db2.gz WQIYDHUYLPYXHU-UHFFFAOYSA-N -1 3 361.377 3.017 20 0 FGADHM O=C(CSCc1ccc(F)cc1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737936849 598591177 /nfs/dbraw/zinc/59/11/77/598591177.db2.gz WQIYDHUYLPYXHU-UHFFFAOYSA-N -1 3 361.377 3.017 20 0 FGADHM O=C(Cc1c(Cl)cccc1Cl)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737953739 598592936 /nfs/dbraw/zinc/59/29/36/598592936.db2.gz OGYYZBXABWADLL-UHFFFAOYSA-N -1 3 366.183 3.494 20 0 FGADHM O=C(Cc1c(Cl)cccc1Cl)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737953739 598592937 /nfs/dbraw/zinc/59/29/37/598592937.db2.gz OGYYZBXABWADLL-UHFFFAOYSA-N -1 3 366.183 3.494 20 0 FGADHM C/C=C/C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000736304739 598593430 /nfs/dbraw/zinc/59/34/30/598593430.db2.gz QRSVCLVAJPMUFE-DUXPYHPUSA-N -1 3 353.357 3.099 20 0 FGADHM C/C=C/C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000736304739 598593432 /nfs/dbraw/zinc/59/34/32/598593432.db2.gz QRSVCLVAJPMUFE-DUXPYHPUSA-N -1 3 353.357 3.099 20 0 FGADHM Cc1cc2oc(=O)cc(CNc3ccc(F)c(-c4nnn[n-]4)c3)c2cc1C ZINC000737285524 598593865 /nfs/dbraw/zinc/59/38/65/598593865.db2.gz TWGDMDGESBVKGV-UHFFFAOYSA-N -1 3 365.368 3.341 20 0 FGADHM Cc1cc2oc(=O)cc(CNc3ccc(F)c(-c4nn[n-]n4)c3)c2cc1C ZINC000737285524 598593866 /nfs/dbraw/zinc/59/38/66/598593866.db2.gz TWGDMDGESBVKGV-UHFFFAOYSA-N -1 3 365.368 3.341 20 0 FGADHM CCOc1ccc2cc(C(=O)Nc3ccc(F)c(-c4nnn[n-]4)c3)[nH]c2c1 ZINC000736651084 598598920 /nfs/dbraw/zinc/59/89/20/598598920.db2.gz LPMMYZJTZFCASY-UHFFFAOYSA-N -1 3 366.356 3.138 20 0 FGADHM CCOc1ccc2cc(C(=O)Nc3ccc(F)c(-c4nn[n-]n4)c3)[nH]c2c1 ZINC000736651084 598598922 /nfs/dbraw/zinc/59/89/22/598598922.db2.gz LPMMYZJTZFCASY-UHFFFAOYSA-N -1 3 366.356 3.138 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1cccn1Cc1cccs1 ZINC000738166271 598599704 /nfs/dbraw/zinc/59/97/04/598599704.db2.gz RTFWSVVFMPQPTR-UHFFFAOYSA-N -1 3 368.397 3.169 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1cccn1Cc1cccs1 ZINC000738166271 598599706 /nfs/dbraw/zinc/59/97/06/598599706.db2.gz RTFWSVVFMPQPTR-UHFFFAOYSA-N -1 3 368.397 3.169 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)C1(c2ccccc2)CCCC1 ZINC000738163193 598600671 /nfs/dbraw/zinc/60/06/71/598600671.db2.gz PSQUQIKFOOFPNI-UHFFFAOYSA-N -1 3 351.385 3.456 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)C1(c2ccccc2)CCCC1 ZINC000738163193 598600674 /nfs/dbraw/zinc/60/06/74/598600674.db2.gz PSQUQIKFOOFPNI-UHFFFAOYSA-N -1 3 351.385 3.456 20 0 FGADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)c1nc(-c2ccc(F)cc2)no1 ZINC000736167365 598606472 /nfs/dbraw/zinc/60/64/72/598606472.db2.gz DPKAWURYYNYNLF-JTQLQIEISA-N -1 3 352.329 3.196 20 0 FGADHM Clc1ccc(Cc2noc(Cc3ccc(-c4nnn[n-]4)cc3)n2)cc1 ZINC000737578275 598612693 /nfs/dbraw/zinc/61/26/93/598612693.db2.gz ZPVPDCKPPAFRDG-UHFFFAOYSA-N -1 3 352.785 3.085 20 0 FGADHM Clc1ccc(Cc2noc(Cc3ccc(-c4nn[n-]n4)cc3)n2)cc1 ZINC000737578275 598612694 /nfs/dbraw/zinc/61/26/94/598612694.db2.gz ZPVPDCKPPAFRDG-UHFFFAOYSA-N -1 3 352.785 3.085 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N1CCC[C@@H]1c1cccs1 ZINC000738163739 598623879 /nfs/dbraw/zinc/62/38/79/598623879.db2.gz UDGPDGGTSPEPHO-CYBMUJFWSA-N -1 3 358.402 3.436 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N1CCC[C@@H]1c1cccs1 ZINC000738163739 598623880 /nfs/dbraw/zinc/62/38/80/598623880.db2.gz UDGPDGGTSPEPHO-CYBMUJFWSA-N -1 3 358.402 3.436 20 0 FGADHM CC(C)N(Cc1ccccc1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000735874063 598627462 /nfs/dbraw/zinc/62/74/62/598627462.db2.gz LVGLDVDWTSCYTE-UHFFFAOYSA-N -1 3 354.389 3.448 20 0 FGADHM CC(C)N(Cc1ccccc1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000735874063 598627464 /nfs/dbraw/zinc/62/74/64/598627464.db2.gz LVGLDVDWTSCYTE-UHFFFAOYSA-N -1 3 354.389 3.448 20 0 FGADHM Cc1ccccc1[C@@H]1CCN(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000737422675 598627940 /nfs/dbraw/zinc/62/79/40/598627940.db2.gz NMOSINHOQFCYJS-CYBMUJFWSA-N -1 3 366.400 3.336 20 0 FGADHM Cc1ccccc1[C@@H]1CCN(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000737422675 598627941 /nfs/dbraw/zinc/62/79/41/598627941.db2.gz NMOSINHOQFCYJS-CYBMUJFWSA-N -1 3 366.400 3.336 20 0 FGADHM CN(Cc1ccc(Cl)cc1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736816299 598630828 /nfs/dbraw/zinc/63/08/28/598630828.db2.gz FSTBSVUCBIXZEL-UHFFFAOYSA-N -1 3 360.780 3.323 20 0 FGADHM CN(Cc1ccc(Cl)cc1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736816299 598630830 /nfs/dbraw/zinc/63/08/30/598630830.db2.gz FSTBSVUCBIXZEL-UHFFFAOYSA-N -1 3 360.780 3.323 20 0 FGADHM COc1cc2c(cc1OC)CN(c1cc(Cl)ccc1-c1nnn[n-]1)CC2 ZINC000737056590 598631570 /nfs/dbraw/zinc/63/15/70/598631570.db2.gz XKZHUYNDKDOVCC-UHFFFAOYSA-N -1 3 371.828 3.100 20 0 FGADHM COc1cc2c(cc1OC)CN(c1cc(Cl)ccc1-c1nn[n-]n1)CC2 ZINC000737056590 598631571 /nfs/dbraw/zinc/63/15/71/598631571.db2.gz XKZHUYNDKDOVCC-UHFFFAOYSA-N -1 3 371.828 3.100 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N[C@@H](c1ccccc1)C1CC1 ZINC000738165265 598633088 /nfs/dbraw/zinc/63/30/88/598633088.db2.gz AXKJMJKFGFIWPR-INIZCTEOSA-N -1 3 352.373 3.279 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N[C@@H](c1ccccc1)C1CC1 ZINC000738165265 598633091 /nfs/dbraw/zinc/63/30/91/598633091.db2.gz AXKJMJKFGFIWPR-INIZCTEOSA-N -1 3 352.373 3.279 20 0 FGADHM COc1ccc(C[C@H](C)OC(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000737087364 598641921 /nfs/dbraw/zinc/64/19/21/598641921.db2.gz MYWCZCULCYQHTN-TZIYXEQSSA-N -1 3 364.405 3.063 20 0 FGADHM COc1ccc(C[C@H](C)OC(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000737087364 598641923 /nfs/dbraw/zinc/64/19/23/598641923.db2.gz MYWCZCULCYQHTN-TZIYXEQSSA-N -1 3 364.405 3.063 20 0 FGADHM Cc1nnc(SCc2ccc(F)cc2-c2nnn[n-]2)n1-c1ccccc1 ZINC000737531557 598643091 /nfs/dbraw/zinc/64/30/91/598643091.db2.gz CUTSBOOFTWTQRF-UHFFFAOYSA-N -1 3 367.413 3.187 20 0 FGADHM Cc1nnc(SCc2ccc(F)cc2-c2nn[n-]n2)n1-c1ccccc1 ZINC000737531557 598643092 /nfs/dbraw/zinc/64/30/92/598643092.db2.gz CUTSBOOFTWTQRF-UHFFFAOYSA-N -1 3 367.413 3.187 20 0 FGADHM CCc1cc(=O)oc2cc(OCc3ccc(F)cc3-c3nnn[n-]3)ccc12 ZINC000736678464 598644173 /nfs/dbraw/zinc/64/41/73/598644173.db2.gz CSONWZFIAVIKHZ-UHFFFAOYSA-N -1 3 366.352 3.254 20 0 FGADHM CCc1cc(=O)oc2cc(OCc3ccc(F)cc3-c3nn[n-]n3)ccc12 ZINC000736678464 598644174 /nfs/dbraw/zinc/64/41/74/598644174.db2.gz CSONWZFIAVIKHZ-UHFFFAOYSA-N -1 3 366.352 3.254 20 0 FGADHM CC(C)(NC(=S)Nc1ccccc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000735678251 598645470 /nfs/dbraw/zinc/64/54/70/598645470.db2.gz MHLFZJIENSPJKE-UHFFFAOYSA-N -1 3 356.430 3.228 20 0 FGADHM CC(C)(NC(=S)Nc1ccccc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000735678251 598645471 /nfs/dbraw/zinc/64/54/71/598645471.db2.gz MHLFZJIENSPJKE-UHFFFAOYSA-N -1 3 356.430 3.228 20 0 FGADHM CSc1ccccc1NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000737192657 598647153 /nfs/dbraw/zinc/64/71/53/598647153.db2.gz VBDJFKYVVNZVNU-UHFFFAOYSA-N -1 3 357.464 3.319 20 0 FGADHM CSc1ccccc1NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000737192657 598647155 /nfs/dbraw/zinc/64/71/55/598647155.db2.gz VBDJFKYVVNZVNU-UHFFFAOYSA-N -1 3 357.464 3.319 20 0 FGADHM CC(=CC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)c1cccc(F)c1 ZINC000735449887 598648847 /nfs/dbraw/zinc/64/88/47/598648847.db2.gz UVVYIPXRXDDLFJ-XSNHNAGMSA-N -1 3 351.385 3.287 20 0 FGADHM CC(=CC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)c1cccc(F)c1 ZINC000735449887 598648849 /nfs/dbraw/zinc/64/88/49/598648849.db2.gz UVVYIPXRXDDLFJ-XSNHNAGMSA-N -1 3 351.385 3.287 20 0 FGADHM C[C@H]1CCCC[C@H]1N(C)C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736272483 598649508 /nfs/dbraw/zinc/64/95/08/598649508.db2.gz PSFZQTCMEKUEDD-MAUKXSAKSA-N -1 3 371.485 3.453 20 0 FGADHM C[C@H]1CCCC[C@H]1N(C)C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736272483 598649510 /nfs/dbraw/zinc/64/95/10/598649510.db2.gz PSFZQTCMEKUEDD-MAUKXSAKSA-N -1 3 371.485 3.453 20 0 FGADHM C[C@H]1c2ccsc2CCN1C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736306605 598650100 /nfs/dbraw/zinc/65/01/00/598650100.db2.gz YBVKCKMSWCFYEX-NSHDSACASA-N -1 3 371.491 3.166 20 0 FGADHM C[C@H]1c2ccsc2CCN1C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736306605 598650102 /nfs/dbraw/zinc/65/01/02/598650102.db2.gz YBVKCKMSWCFYEX-NSHDSACASA-N -1 3 371.491 3.166 20 0 FGADHM C[C@H](C1CC1)N(C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000735963727 598651138 /nfs/dbraw/zinc/65/11/38/598651138.db2.gz KXDHOJJRPWRODL-CQSZACIVSA-N -1 3 369.469 3.205 20 0 FGADHM C[C@H](C1CC1)N(C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000735963727 598651139 /nfs/dbraw/zinc/65/11/39/598651139.db2.gz KXDHOJJRPWRODL-CQSZACIVSA-N -1 3 369.469 3.205 20 0 FGADHM Cc1ccccc1[C@H](C)N(C)C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000737421168 598652473 /nfs/dbraw/zinc/65/24/73/598652473.db2.gz KKDHECUNEOTWFG-AWEZNQCLSA-N -1 3 367.478 3.487 20 0 FGADHM Cc1ccccc1[C@H](C)N(C)C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000737421168 598652475 /nfs/dbraw/zinc/65/24/75/598652475.db2.gz KKDHECUNEOTWFG-AWEZNQCLSA-N -1 3 367.478 3.487 20 0 FGADHM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)c(Cl)c2)C[C@@H](c2ccccc2)O1 ZINC000736289471 598657182 /nfs/dbraw/zinc/65/71/82/598657182.db2.gz MCDFUNXAVYDHOT-PXAZEXFGSA-N -1 3 355.829 3.487 20 0 FGADHM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)c(Cl)c2)C[C@@H](c2ccccc2)O1 ZINC000736289471 598657184 /nfs/dbraw/zinc/65/71/84/598657184.db2.gz MCDFUNXAVYDHOT-PXAZEXFGSA-N -1 3 355.829 3.487 20 0 FGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)Nc1ccc2scnc2c1 ZINC000737949248 598659034 /nfs/dbraw/zinc/65/90/34/598659034.db2.gz YIMIEOHVQASZSB-UHFFFAOYSA-N -1 3 368.447 3.207 20 0 FGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)Nc1ccc2scnc2c1 ZINC000737949248 598659036 /nfs/dbraw/zinc/65/90/36/598659036.db2.gz YIMIEOHVQASZSB-UHFFFAOYSA-N -1 3 368.447 3.207 20 0 FGADHM CN(C(=O)c1sccc1-c1nnn[n-]1)c1cccc(OC(F)(F)F)c1 ZINC000736741459 598662263 /nfs/dbraw/zinc/66/22/63/598662263.db2.gz QIBGLNYBXWAEOE-UHFFFAOYSA-N -1 3 369.328 3.103 20 0 FGADHM CN(C(=O)c1sccc1-c1nn[n-]n1)c1cccc(OC(F)(F)F)c1 ZINC000736741459 598662265 /nfs/dbraw/zinc/66/22/65/598662265.db2.gz QIBGLNYBXWAEOE-UHFFFAOYSA-N -1 3 369.328 3.103 20 0 FGADHM C[C@H]1CC[C@H](NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000737196660 598664744 /nfs/dbraw/zinc/66/47/44/598664744.db2.gz WOVVWHCHVNVCEG-KOMQPUFPSA-N -1 3 357.458 3.111 20 0 FGADHM C[C@H]1CC[C@H](NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000737196660 598664746 /nfs/dbraw/zinc/66/47/46/598664746.db2.gz WOVVWHCHVNVCEG-KOMQPUFPSA-N -1 3 357.458 3.111 20 0 FGADHM COc1cccc(N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)c(Cl)c3)C2)c1 ZINC000737138307 598672787 /nfs/dbraw/zinc/67/27/87/598672787.db2.gz GKDCYYUZCWEANC-CYBMUJFWSA-N -1 3 370.844 3.220 20 0 FGADHM COc1cccc(N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)c(Cl)c3)C2)c1 ZINC000737138307 598672789 /nfs/dbraw/zinc/67/27/89/598672789.db2.gz GKDCYYUZCWEANC-CYBMUJFWSA-N -1 3 370.844 3.220 20 0 FGADHM O[C@@]1(CNc2ccc(-c3nnn[n-]3)c(Cl)c2)CCCc2ccccc21 ZINC000738387525 598674413 /nfs/dbraw/zinc/67/44/13/598674413.db2.gz AOWXXWZHRBZFRT-GOSISDBHSA-N -1 3 355.829 3.156 20 0 FGADHM O[C@@]1(CNc2ccc(-c3nn[n-]n3)c(Cl)c2)CCCc2ccccc21 ZINC000738387525 598674415 /nfs/dbraw/zinc/67/44/15/598674415.db2.gz AOWXXWZHRBZFRT-GOSISDBHSA-N -1 3 355.829 3.156 20 0 FGADHM Cc1ccc(C)c(NC(=O)CSCc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000737326879 598697021 /nfs/dbraw/zinc/69/70/21/598697021.db2.gz SNCLKIBFIGHPKN-UHFFFAOYSA-N -1 3 371.441 3.495 20 0 FGADHM Cc1ccc(C)c(NC(=O)CSCc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000737326879 598697022 /nfs/dbraw/zinc/69/70/22/598697022.db2.gz SNCLKIBFIGHPKN-UHFFFAOYSA-N -1 3 371.441 3.495 20 0 FGADHM CC(C)(Oc1ccc(F)cc1)C(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000735679790 598702124 /nfs/dbraw/zinc/70/21/24/598702124.db2.gz NTKNAFBQFNACEB-UHFFFAOYSA-N -1 3 374.347 3.046 20 0 FGADHM CC(C)(Oc1ccc(F)cc1)C(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000735679790 598702125 /nfs/dbraw/zinc/70/21/25/598702125.db2.gz NTKNAFBQFNACEB-UHFFFAOYSA-N -1 3 374.347 3.046 20 0 FGADHM Cc1cccc(OCCCC(=O)OCc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000737400699 598702441 /nfs/dbraw/zinc/70/24/41/598702441.db2.gz FHFJLFLBGJECRG-UHFFFAOYSA-N -1 3 370.384 3.217 20 0 FGADHM Cc1cccc(OCCCC(=O)OCc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000737400699 598702443 /nfs/dbraw/zinc/70/24/43/598702443.db2.gz FHFJLFLBGJECRG-UHFFFAOYSA-N -1 3 370.384 3.217 20 0 FGADHM Cc1ccc2[nH]c(C(=O)OCc3ccc(F)cc3-c3nnn[n-]3)cc2c1 ZINC000737373270 598704836 /nfs/dbraw/zinc/70/48/36/598704836.db2.gz RZBQCSOWIDNYCK-UHFFFAOYSA-N -1 3 351.341 3.153 20 0 FGADHM Cc1ccc2[nH]c(C(=O)OCc3ccc(F)cc3-c3nn[n-]n3)cc2c1 ZINC000737373270 598704837 /nfs/dbraw/zinc/70/48/37/598704837.db2.gz RZBQCSOWIDNYCK-UHFFFAOYSA-N -1 3 351.341 3.153 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)c1c[nH]cc1-c1ccccc1 ZINC000738232034 598708370 /nfs/dbraw/zinc/70/83/70/598708370.db2.gz NMDXVVDPZOUBOZ-UHFFFAOYSA-N -1 3 363.352 3.358 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)c1c[nH]cc1-c1ccccc1 ZINC000738232034 598708371 /nfs/dbraw/zinc/70/83/71/598708371.db2.gz NMDXVVDPZOUBOZ-UHFFFAOYSA-N -1 3 363.352 3.358 20 0 FGADHM C[C@H](Cc1ccc(F)cc1)C(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000736055738 598709043 /nfs/dbraw/zinc/70/90/43/598709043.db2.gz IPZMIJUCRAOVBO-LLVKDONJSA-N -1 3 358.348 3.067 20 0 FGADHM C[C@H](Cc1ccc(F)cc1)C(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000736055738 598709044 /nfs/dbraw/zinc/70/90/44/598709044.db2.gz IPZMIJUCRAOVBO-LLVKDONJSA-N -1 3 358.348 3.067 20 0 FGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@H]1C1CC1 ZINC000735904796 598716364 /nfs/dbraw/zinc/71/63/64/598716364.db2.gz BNIQNESCVHVLSW-HNNXBMFYSA-N -1 3 356.430 3.060 20 0 FGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@H]1C1CC1 ZINC000735904796 598716365 /nfs/dbraw/zinc/71/63/65/598716365.db2.gz BNIQNESCVHVLSW-HNNXBMFYSA-N -1 3 356.430 3.060 20 0 FGADHM CC(=CC(=O)OCc1cc(-c2nnn[n-]2)ccc1F)c1cccc(F)c1 ZINC000735447115 598724101 /nfs/dbraw/zinc/72/41/01/598724101.db2.gz JADUVHPLLGSKRQ-XFFZJAGNSA-N -1 3 356.332 3.292 20 0 FGADHM CC(=CC(=O)OCc1cc(-c2nn[n-]n2)ccc1F)c1cccc(F)c1 ZINC000735447115 598724102 /nfs/dbraw/zinc/72/41/02/598724102.db2.gz JADUVHPLLGSKRQ-XFFZJAGNSA-N -1 3 356.332 3.292 20 0 FGADHM CC(C)[C@@H]1CCCC[C@@H]1NC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000735749044 598726888 /nfs/dbraw/zinc/72/68/88/598726888.db2.gz LJHFJZJSEDWBID-IRXDYDNUSA-N -1 3 356.474 3.223 20 0 FGADHM CC(C)[C@@H]1CCCC[C@@H]1NC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000735749044 598726890 /nfs/dbraw/zinc/72/68/90/598726890.db2.gz LJHFJZJSEDWBID-IRXDYDNUSA-N -1 3 356.474 3.223 20 0 FGADHM COC[C@@H](C)C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000736966828 598736125 /nfs/dbraw/zinc/73/61/25/598736125.db2.gz BYYGHGLDQDQXLO-CYBMUJFWSA-N -1 3 367.409 3.188 20 0 FGADHM COC[C@@H](C)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000736966828 598736126 /nfs/dbraw/zinc/73/61/26/598736126.db2.gz BYYGHGLDQDQXLO-CYBMUJFWSA-N -1 3 367.409 3.188 20 0 FGADHM C[C@H](Cc1ccccc1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000736059116 598741099 /nfs/dbraw/zinc/74/10/99/598741099.db2.gz QMUIAMOSSMXQKO-LLVKDONJSA-N -1 3 373.363 3.285 20 0 FGADHM C[C@H](Cc1ccccc1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000736059116 598741101 /nfs/dbraw/zinc/74/11/01/598741101.db2.gz QMUIAMOSSMXQKO-LLVKDONJSA-N -1 3 373.363 3.285 20 0 FGADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)c1ncoc1-c1ccccc1 ZINC000738164462 598742517 /nfs/dbraw/zinc/74/25/17/598742517.db2.gz ZEGFYGFIQJTSDW-UHFFFAOYSA-N -1 3 366.768 3.427 20 0 FGADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)c1ncoc1-c1ccccc1 ZINC000738164462 598742519 /nfs/dbraw/zinc/74/25/19/598742519.db2.gz ZEGFYGFIQJTSDW-UHFFFAOYSA-N -1 3 366.768 3.427 20 0 FGADHM CCCN(C(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1)C1CC1 ZINC000736473014 598748475 /nfs/dbraw/zinc/74/84/75/598748475.db2.gz WMNXPGSJMNKJTF-UHFFFAOYSA-N -1 3 367.409 3.053 20 0 FGADHM Fc1cccc(CN2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)c1F ZINC000737659321 598766976 /nfs/dbraw/zinc/76/69/76/598766976.db2.gz CLHGDYJCCUCZOH-UHFFFAOYSA-N -1 3 371.391 3.188 20 0 FGADHM CC[C@H](Cc1ccccc1)C(=O)OCc1ccc(-c2nnn[n-]2)cc1F ZINC000736353817 598779391 /nfs/dbraw/zinc/77/93/91/598779391.db2.gz YXSQFMYILANXAR-CQSZACIVSA-N -1 3 354.385 3.318 20 0 FGADHM CC[C@H](Cc1ccccc1)C(=O)OCc1ccc(-c2nn[n-]n2)cc1F ZINC000736353817 598779392 /nfs/dbraw/zinc/77/93/92/598779392.db2.gz YXSQFMYILANXAR-CQSZACIVSA-N -1 3 354.385 3.318 20 0 FGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H]1CCc2ccccc21 ZINC000735904557 598789924 /nfs/dbraw/zinc/78/99/24/598789924.db2.gz QGEWWRQNGIAVMJ-INIZCTEOSA-N -1 3 363.421 3.322 20 0 FGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H]1CCc2ccccc21 ZINC000735904557 598789925 /nfs/dbraw/zinc/78/99/25/598789925.db2.gz QGEWWRQNGIAVMJ-INIZCTEOSA-N -1 3 363.421 3.322 20 0 FGADHM Cc1cccc(C)c1OCCCSc1nc(C)nc(C)c1-c1nnn[n-]1 ZINC000737470423 598790497 /nfs/dbraw/zinc/79/04/97/598790497.db2.gz IRQOWPYKBPEQMN-UHFFFAOYSA-N -1 3 370.482 3.452 20 0 FGADHM Cc1cccc(C)c1OCCCSc1nc(C)nc(C)c1-c1nn[n-]n1 ZINC000737470423 598790498 /nfs/dbraw/zinc/79/04/98/598790498.db2.gz IRQOWPYKBPEQMN-UHFFFAOYSA-N -1 3 370.482 3.452 20 0 FGADHM CCN(CC)c1ccc(CNc2ccc(Cl)cc2-c2nnn[n-]2)cn1 ZINC000736531054 598792880 /nfs/dbraw/zinc/79/28/80/598792880.db2.gz CGMROTZXAJEFGY-UHFFFAOYSA-N -1 3 357.849 3.373 20 0 FGADHM CCN(CC)c1ccc(CNc2ccc(Cl)cc2-c2nn[n-]n2)cn1 ZINC000736531054 598792881 /nfs/dbraw/zinc/79/28/81/598792881.db2.gz CGMROTZXAJEFGY-UHFFFAOYSA-N -1 3 357.849 3.373 20 0 FGADHM Cc1cccc2c1CCN(C(=O)N[C@H](C)c1ccc(-c3nnn[n-]3)cc1)C2 ZINC000737411221 598800860 /nfs/dbraw/zinc/80/08/60/598800860.db2.gz WOBUHROLDZJLMF-CQSZACIVSA-N -1 3 362.437 3.004 20 0 FGADHM Cc1cccc2c1CCN(C(=O)N[C@H](C)c1ccc(-c3nn[n-]n3)cc1)C2 ZINC000737411221 598800863 /nfs/dbraw/zinc/80/08/63/598800863.db2.gz WOBUHROLDZJLMF-CQSZACIVSA-N -1 3 362.437 3.004 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)CCc1csc(C)n1 ZINC000736481145 598802292 /nfs/dbraw/zinc/80/22/92/598802292.db2.gz UUTSFARGHBGFSA-UHFFFAOYSA-N -1 3 370.482 3.003 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)CCc1csc(C)n1 ZINC000736481145 598802294 /nfs/dbraw/zinc/80/22/94/598802294.db2.gz UUTSFARGHBGFSA-UHFFFAOYSA-N -1 3 370.482 3.003 20 0 FGADHM C[C@@H](CC(=O)Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000735978804 598808253 /nfs/dbraw/zinc/80/82/53/598808253.db2.gz ZULGKJCTZCHMID-AWEZNQCLSA-N -1 3 373.420 3.185 20 0 FGADHM Brc1cccc(CN(c2ncccc2-c2nnn[n-]2)C2CC2)c1 ZINC000735368993 598813686 /nfs/dbraw/zinc/81/36/86/598813686.db2.gz RAUUQAYIOJTDHO-UHFFFAOYSA-N -1 3 371.242 3.193 20 0 FGADHM Brc1cccc(CN(c2ncccc2-c2nn[n-]n2)C2CC2)c1 ZINC000735368993 598813687 /nfs/dbraw/zinc/81/36/87/598813687.db2.gz RAUUQAYIOJTDHO-UHFFFAOYSA-N -1 3 371.242 3.193 20 0 FGADHM O=C(c1coc2ccccc12)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000738284181 598822454 /nfs/dbraw/zinc/82/24/54/598822454.db2.gz OZMIUWFEUVVVCQ-UHFFFAOYSA-N -1 3 359.389 3.418 20 0 FGADHM O=C(c1coc2ccccc12)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000738284181 598822455 /nfs/dbraw/zinc/82/24/55/598822455.db2.gz OZMIUWFEUVVVCQ-UHFFFAOYSA-N -1 3 359.389 3.418 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccccc1N1CCCCC1 ZINC000737294454 598822787 /nfs/dbraw/zinc/82/27/87/598822787.db2.gz OUYKURVTNHBQND-UHFFFAOYSA-N -1 3 362.437 3.418 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccccc1N1CCCCC1 ZINC000737294454 598822788 /nfs/dbraw/zinc/82/27/88/598822788.db2.gz OUYKURVTNHBQND-UHFFFAOYSA-N -1 3 362.437 3.418 20 0 FGADHM CC(C)(CNC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1cccc(F)c1 ZINC000735666619 599300697 /nfs/dbraw/zinc/30/06/97/599300697.db2.gz QCHRJTWGBUCXFW-ZHACJKMWSA-N -1 3 365.412 3.113 20 0 FGADHM CC(C)(CNC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1cccc(F)c1 ZINC000735666619 599300700 /nfs/dbraw/zinc/30/07/00/599300700.db2.gz QCHRJTWGBUCXFW-ZHACJKMWSA-N -1 3 365.412 3.113 20 0 FGADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H]1C[C@]12CCCc1ccccc12 ZINC000821608503 599313627 /nfs/dbraw/zinc/31/36/27/599313627.db2.gz KEHCTLQPTCUSCF-UGKGYDQZSA-N -1 3 373.460 3.119 20 0 FGADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@H]1C[C@]12CCCc1ccccc12 ZINC000821608503 599313629 /nfs/dbraw/zinc/31/36/29/599313629.db2.gz KEHCTLQPTCUSCF-UGKGYDQZSA-N -1 3 373.460 3.119 20 0 FGADHM COc1ccc(CN(C)c2cccc(Cl)c2-c2nnn[n-]2)c(OC)c1 ZINC000821794716 599320316 /nfs/dbraw/zinc/32/03/16/599320316.db2.gz KVRXXQFLYQZHHR-UHFFFAOYSA-N -1 3 359.817 3.174 20 0 FGADHM COc1ccc(CN(C)c2cccc(Cl)c2-c2nn[n-]n2)c(OC)c1 ZINC000821794716 599320319 /nfs/dbraw/zinc/32/03/19/599320319.db2.gz KVRXXQFLYQZHHR-UHFFFAOYSA-N -1 3 359.817 3.174 20 0 FGADHM FC(F)(F)Cc1ccccc1NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000737628570 599331108 /nfs/dbraw/zinc/33/11/08/599331108.db2.gz XOUGXZNTQUCUFR-UHFFFAOYSA-N -1 3 363.343 3.462 20 0 FGADHM CC(C)Cc1noc(CNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)n1 ZINC000735851064 599332396 /nfs/dbraw/zinc/33/23/96/599332396.db2.gz KVJXZSSXVQBDPA-UHFFFAOYSA-N -1 3 367.335 3.079 20 0 FGADHM CC(C)Cc1noc(CNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)n1 ZINC000735851064 599332400 /nfs/dbraw/zinc/33/24/00/599332400.db2.gz KVJXZSSXVQBDPA-UHFFFAOYSA-N -1 3 367.335 3.079 20 0 FGADHM C[C@H](SCC(=O)NCC1CCCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736189297 599332886 /nfs/dbraw/zinc/33/28/86/599332886.db2.gz OVAGYZCCRNVOMT-ZDUSSCGKSA-N -1 3 359.499 3.357 20 0 FGADHM C[C@H](SCC(=O)NCC1CCCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736189297 599332889 /nfs/dbraw/zinc/33/28/89/599332889.db2.gz OVAGYZCCRNVOMT-ZDUSSCGKSA-N -1 3 359.499 3.357 20 0 FGADHM C[C@H](OC(=O)Cc1ccccc1OC(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000736154777 599361572 /nfs/dbraw/zinc/36/15/72/599361572.db2.gz CAOZXGWQRSIQPB-NSHDSACASA-N -1 3 374.347 3.315 20 0 FGADHM C[C@H](OC(=O)Cc1ccccc1OC(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000736154777 599361575 /nfs/dbraw/zinc/36/15/75/599361575.db2.gz CAOZXGWQRSIQPB-NSHDSACASA-N -1 3 374.347 3.315 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1CNc1ccc(OCC(F)F)cc1 ZINC000821737330 607371855 /nfs/dbraw/zinc/37/18/55/607371855.db2.gz VDDVTMJMBCKSDO-UHFFFAOYSA-N -1 3 361.352 3.131 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1CNc1ccc(OCC(F)F)cc1 ZINC000821737330 607371856 /nfs/dbraw/zinc/37/18/56/607371856.db2.gz VDDVTMJMBCKSDO-UHFFFAOYSA-N -1 3 361.352 3.131 20 0 FGADHM c1cnc2cccc(OCc3nnc(-c4ccc(-c5nnn[n-]5)cc4)o3)c2c1 ZINC000823762443 599382822 /nfs/dbraw/zinc/38/28/22/599382822.db2.gz PFNUUKULXURRKD-UHFFFAOYSA-N -1 3 371.360 3.044 20 0 FGADHM c1cnc2cccc(OCc3nnc(-c4ccc(-c5nn[n-]n5)cc4)o3)c2c1 ZINC000823762443 599382826 /nfs/dbraw/zinc/38/28/26/599382826.db2.gz PFNUUKULXURRKD-UHFFFAOYSA-N -1 3 371.360 3.044 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OCCOc1cc(Cl)ccc1C ZINC000821702197 599388434 /nfs/dbraw/zinc/38/84/34/599388434.db2.gz KZKHRWPQAGZUAQ-UHFFFAOYSA-N -1 3 360.801 3.295 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OCCOc1cc(Cl)ccc1C ZINC000821702197 599388437 /nfs/dbraw/zinc/38/84/37/599388437.db2.gz KZKHRWPQAGZUAQ-UHFFFAOYSA-N -1 3 360.801 3.295 20 0 FGADHM CCOc1cccc2cc([C@H](C)NCc3ccc(-c4nnn[n-]4)o3)oc21 ZINC000821430996 599396462 /nfs/dbraw/zinc/39/64/62/599396462.db2.gz JQOWYLCXNOIYGW-NSHDSACASA-N -1 3 353.382 3.455 20 0 FGADHM CCOc1cccc2cc([C@H](C)NCc3ccc(-c4nn[n-]n4)o3)oc21 ZINC000821430996 599396465 /nfs/dbraw/zinc/39/64/65/599396465.db2.gz JQOWYLCXNOIYGW-NSHDSACASA-N -1 3 353.382 3.455 20 0 FGADHM C[C@@H](NCc1ccc(-c2nnn[n-]2)o1)c1ccc(OC(F)(F)F)cc1 ZINC000820431078 599398265 /nfs/dbraw/zinc/39/82/65/599398265.db2.gz AFBVZHLPZHLPQL-SECBINFHSA-N -1 3 353.304 3.209 20 0 FGADHM C[C@H](NC(=O)NCCc1ccc(Cl)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820366957 599399350 /nfs/dbraw/zinc/39/93/50/599399350.db2.gz QOQVLELXDHWVAD-LBPRGKRZSA-N -1 3 370.844 3.123 20 0 FGADHM C[C@H](NC(=O)NCCc1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820366957 599399356 /nfs/dbraw/zinc/39/93/56/599399356.db2.gz QOQVLELXDHWVAD-LBPRGKRZSA-N -1 3 370.844 3.123 20 0 FGADHM CC(C)CC1(C(=O)OCC(=O)c2ccc(-c3nnn[n-]3)cc2)CCCC1 ZINC000824236541 607377723 /nfs/dbraw/zinc/37/77/23/607377723.db2.gz PGBVKRIFAAVALB-UHFFFAOYSA-N -1 3 356.426 3.199 20 0 FGADHM CC(C)CC1(C(=O)OCC(=O)c2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC000824236541 607377725 /nfs/dbraw/zinc/37/77/25/607377725.db2.gz PGBVKRIFAAVALB-UHFFFAOYSA-N -1 3 356.426 3.199 20 0 FGADHM CC(C)CC1(C(=O)OCC(=O)c2cccc(-c3nnn[n-]3)c2)CCCC1 ZINC000824237139 607377831 /nfs/dbraw/zinc/37/78/31/607377831.db2.gz RCQVVDLRWCOZJY-UHFFFAOYSA-N -1 3 356.426 3.199 20 0 FGADHM CC(C)CC1(C(=O)OCC(=O)c2cccc(-c3nn[n-]n3)c2)CCCC1 ZINC000824237139 607377833 /nfs/dbraw/zinc/37/78/33/607377833.db2.gz RCQVVDLRWCOZJY-UHFFFAOYSA-N -1 3 356.426 3.199 20 0 FGADHM O[C@@]1(CNc2cc(Cl)ccc2-c2nnn[n-]2)CCCc2ccccc21 ZINC000738387664 599434848 /nfs/dbraw/zinc/43/48/48/599434848.db2.gz BZUSKWSUQBQHNT-GOSISDBHSA-N -1 3 355.829 3.156 20 0 FGADHM O[C@@]1(CNc2cc(Cl)ccc2-c2nn[n-]n2)CCCc2ccccc21 ZINC000738387664 599434851 /nfs/dbraw/zinc/43/48/51/599434851.db2.gz BZUSKWSUQBQHNT-GOSISDBHSA-N -1 3 355.829 3.156 20 0 FGADHM O=C(COC(=O)c1ccc2sccc2c1)c1cccc(-c2nnn[n-]2)c1 ZINC000826415998 607380003 /nfs/dbraw/zinc/38/00/03/607380003.db2.gz CVPUXZQNKYBCCV-UHFFFAOYSA-N -1 3 364.386 3.121 20 0 FGADHM O=C(COC(=O)c1ccc2sccc2c1)c1cccc(-c2nn[n-]n2)c1 ZINC000826415998 607380005 /nfs/dbraw/zinc/38/00/05/607380005.db2.gz CVPUXZQNKYBCCV-UHFFFAOYSA-N -1 3 364.386 3.121 20 0 FGADHM C[C@@H](NC(=O)N1CCC[C@H]1c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820348150 599470603 /nfs/dbraw/zinc/47/06/03/599470603.db2.gz AHCUIWPJHYFFDD-KDOFPFPSSA-N -1 3 362.437 3.474 20 0 FGADHM C[C@@H](NC(=O)N1CCC[C@H]1c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820348150 599470607 /nfs/dbraw/zinc/47/06/07/599470607.db2.gz AHCUIWPJHYFFDD-KDOFPFPSSA-N -1 3 362.437 3.474 20 0 FGADHM Cc1ccc([C@@H](C)NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)s1 ZINC000822228711 599472017 /nfs/dbraw/zinc/47/20/17/599472017.db2.gz CYZIMWFTNDHHCH-NWDGAFQWSA-N -1 3 356.455 3.358 20 0 FGADHM Cc1ccc([C@@H](C)NC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)s1 ZINC000822228711 599472019 /nfs/dbraw/zinc/47/20/19/599472019.db2.gz CYZIMWFTNDHHCH-NWDGAFQWSA-N -1 3 356.455 3.358 20 0 FGADHM Cc1cc(C)c(-c2nnn[n-]2)c(N2C[C@@H](c3ccc(F)cc3)C[C@@H]2C)n1 ZINC000737247069 599472415 /nfs/dbraw/zinc/47/24/15/599472415.db2.gz YOQSPYMMLVZBSR-ZFWWWQNUSA-N -1 3 352.417 3.400 20 0 FGADHM Cc1cc(C)c(-c2nn[n-]n2)c(N2C[C@@H](c3ccc(F)cc3)C[C@@H]2C)n1 ZINC000737247069 599472418 /nfs/dbraw/zinc/47/24/18/599472418.db2.gz YOQSPYMMLVZBSR-ZFWWWQNUSA-N -1 3 352.417 3.400 20 0 FGADHM CCc1ccc(CNc2c(-c3nnn[n-]3)cnc3c(C)cccc32)s1 ZINC000821486576 599477400 /nfs/dbraw/zinc/47/74/00/599477400.db2.gz HCWHZDVZAOQTPT-UHFFFAOYSA-N -1 3 350.451 3.381 20 0 FGADHM CCc1ccc(CNc2c(-c3nn[n-]n3)cnc3c(C)cccc32)s1 ZINC000821486576 599477402 /nfs/dbraw/zinc/47/74/02/599477402.db2.gz HCWHZDVZAOQTPT-UHFFFAOYSA-N -1 3 350.451 3.381 20 0 FGADHM CC[C@H](NC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000820919965 599485779 /nfs/dbraw/zinc/48/57/79/599485779.db2.gz IKNHOXNUJANRFG-DYVFJYSZSA-N -1 3 350.426 3.378 20 0 FGADHM CC[C@H](NC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000820919965 599485781 /nfs/dbraw/zinc/48/57/81/599485781.db2.gz IKNHOXNUJANRFG-DYVFJYSZSA-N -1 3 350.426 3.378 20 0 FGADHM CCO[C@@H]1CCCN(c2c(-c3nnn[n-]3)cnc3c(C)cc(C)cc32)C1 ZINC000821368082 599495203 /nfs/dbraw/zinc/49/52/03/599495203.db2.gz QXRBKAWWGBCSDX-CQSZACIVSA-N -1 3 352.442 3.037 20 0 FGADHM CCO[C@@H]1CCCN(c2c(-c3nn[n-]n3)cnc3c(C)cc(C)cc32)C1 ZINC000821368082 599495205 /nfs/dbraw/zinc/49/52/05/599495205.db2.gz QXRBKAWWGBCSDX-CQSZACIVSA-N -1 3 352.442 3.037 20 0 FGADHM Fc1ccc(CNc2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)cc1F ZINC000822771650 599496095 /nfs/dbraw/zinc/49/60/95/599496095.db2.gz JEYFLNIPGWTNRY-UHFFFAOYSA-N -1 3 372.766 3.381 20 0 FGADHM Fc1ccc(CNc2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)cc1F ZINC000822771650 599496097 /nfs/dbraw/zinc/49/60/97/599496097.db2.gz JEYFLNIPGWTNRY-UHFFFAOYSA-N -1 3 372.766 3.381 20 0 FGADHM C[C@H](NC(=O)CCCOc1ccc(F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820321709 599499141 /nfs/dbraw/zinc/49/91/41/599499141.db2.gz LNKHWAYAEJHOCJ-ZDUSSCGKSA-N -1 3 369.400 3.042 20 0 FGADHM C[C@H](NC(=O)CCCOc1ccc(F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820321709 599499144 /nfs/dbraw/zinc/49/91/44/599499144.db2.gz LNKHWAYAEJHOCJ-ZDUSSCGKSA-N -1 3 369.400 3.042 20 0 FGADHM COc1ccccc1C(C)=CC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821883126 599501088 /nfs/dbraw/zinc/50/10/88/599501088.db2.gz QMNSUAQQKAMAPL-FZDNWWAKSA-N -1 3 363.421 3.156 20 0 FGADHM COc1ccccc1C(C)=CC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821883126 599501090 /nfs/dbraw/zinc/50/10/90/599501090.db2.gz QMNSUAQQKAMAPL-FZDNWWAKSA-N -1 3 363.421 3.156 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)NC(C)(C)c1cccc(C)c1 ZINC000737064216 599501365 /nfs/dbraw/zinc/50/13/65/599501365.db2.gz WGKBKOPRBBCUNW-UHFFFAOYSA-N -1 3 366.425 3.241 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)NC(C)(C)c1cccc(C)c1 ZINC000737064216 599501368 /nfs/dbraw/zinc/50/13/68/599501368.db2.gz WGKBKOPRBBCUNW-UHFFFAOYSA-N -1 3 366.425 3.241 20 0 FGADHM C[C@H](NC(=O)C=Cc1ccc(Cl)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820322097 599503102 /nfs/dbraw/zinc/50/31/02/599503102.db2.gz QPMPKAAQHISYNL-UMAGTOLTSA-N -1 3 353.813 3.411 20 0 FGADHM C[C@H](NC(=O)C=Cc1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820322097 599503103 /nfs/dbraw/zinc/50/31/03/599503103.db2.gz QPMPKAAQHISYNL-UMAGTOLTSA-N -1 3 353.813 3.411 20 0 FGADHM C[C@H](NC(=O)c1ccc(-c2ccccc2)n1C)c1cccc(-c2nnn[n-]2)c1 ZINC000820391823 599509555 /nfs/dbraw/zinc/50/95/55/599509555.db2.gz RMEQRZKFHWZOGA-AWEZNQCLSA-N -1 3 372.432 3.363 20 0 FGADHM C[C@H](NC(=O)c1ccc(-c2ccccc2)n1C)c1cccc(-c2nn[n-]n2)c1 ZINC000820391823 599509557 /nfs/dbraw/zinc/50/95/57/599509557.db2.gz RMEQRZKFHWZOGA-AWEZNQCLSA-N -1 3 372.432 3.363 20 0 FGADHM Cc1ccc(N[C@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000737359473 599510304 /nfs/dbraw/zinc/51/03/04/599510304.db2.gz GWDBKHJJSZYELN-LLVKDONJSA-N -1 3 356.817 3.268 20 0 FGADHM Cc1ccc(N[C@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000737359473 599510306 /nfs/dbraw/zinc/51/03/06/599510306.db2.gz GWDBKHJJSZYELN-LLVKDONJSA-N -1 3 356.817 3.268 20 0 FGADHM C[C@H](NC(=O)[C@H]1C[C@H]1c1c(F)cccc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000820320944 599513235 /nfs/dbraw/zinc/51/32/35/599513235.db2.gz AFKBVBWIACHQMY-GDLCADMTSA-N -1 3 369.375 3.126 20 0 FGADHM C[C@H](NC(=O)[C@H]1C[C@H]1c1c(F)cccc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000820320944 599513238 /nfs/dbraw/zinc/51/32/38/599513238.db2.gz AFKBVBWIACHQMY-GDLCADMTSA-N -1 3 369.375 3.126 20 0 FGADHM C[C@@H](NC(=O)[C@H]1CCSc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820322755 599516951 /nfs/dbraw/zinc/51/69/51/599516951.db2.gz VGJNQJTZOGARIX-WBMJQRKESA-N -1 3 365.462 3.324 20 0 FGADHM C[C@@H](NC(=O)[C@H]1CCSc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820322755 599516952 /nfs/dbraw/zinc/51/69/52/599516952.db2.gz VGJNQJTZOGARIX-WBMJQRKESA-N -1 3 365.462 3.324 20 0 FGADHM CC(=CC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC000819763713 599525451 /nfs/dbraw/zinc/52/54/51/599525451.db2.gz AZQGMEPAAIESFC-RSKUSDAESA-N -1 3 351.385 3.287 20 0 FGADHM CC(=CC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC000819763713 599525452 /nfs/dbraw/zinc/52/54/52/599525452.db2.gz AZQGMEPAAIESFC-RSKUSDAESA-N -1 3 351.385 3.287 20 0 FGADHM CC(=CC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC000819763715 599525614 /nfs/dbraw/zinc/52/56/14/599525614.db2.gz AZQGMEPAAIESFC-XSNHNAGMSA-N -1 3 351.385 3.287 20 0 FGADHM CC(=CC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC000819763715 599525616 /nfs/dbraw/zinc/52/56/16/599525616.db2.gz AZQGMEPAAIESFC-XSNHNAGMSA-N -1 3 351.385 3.287 20 0 FGADHM COc1cccc(OCCCNc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000737142027 599528654 /nfs/dbraw/zinc/52/86/54/599528654.db2.gz QAMQGXRMSRYPBP-UHFFFAOYSA-N -1 3 359.817 3.410 20 0 FGADHM COc1cccc(OCCCNc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000737142027 599528657 /nfs/dbraw/zinc/52/86/57/599528657.db2.gz QAMQGXRMSRYPBP-UHFFFAOYSA-N -1 3 359.817 3.410 20 0 FGADHM C[C@H](NC(=O)C(C)(C)c1ccccc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000820313354 599535264 /nfs/dbraw/zinc/53/52/64/599535264.db2.gz DCWKKRYSQLDXPF-LBPRGKRZSA-N -1 3 353.401 3.161 20 0 FGADHM C[C@H](NC(=O)C(C)(C)c1ccccc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000820313354 599535265 /nfs/dbraw/zinc/53/52/65/599535265.db2.gz DCWKKRYSQLDXPF-LBPRGKRZSA-N -1 3 353.401 3.161 20 0 FGADHM C[C@@H](NC(=O)c1cc2c(s1)CCCC2)c1cccc(-c2nnn[n-]2)c1 ZINC000820390256 599538585 /nfs/dbraw/zinc/53/85/85/599538585.db2.gz GQNUPHJMNAMLQC-LLVKDONJSA-N -1 3 353.451 3.298 20 0 FGADHM C[C@@H](NC(=O)c1cc2c(s1)CCCC2)c1cccc(-c2nn[n-]n2)c1 ZINC000820390256 599538587 /nfs/dbraw/zinc/53/85/87/599538587.db2.gz GQNUPHJMNAMLQC-LLVKDONJSA-N -1 3 353.451 3.298 20 0 FGADHM CCn1cc(CC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c2ccccc21 ZINC000821565568 599539883 /nfs/dbraw/zinc/53/98/83/599539883.db2.gz ZINIIPOIFTYALU-AWEZNQCLSA-N -1 3 374.448 3.261 20 0 FGADHM CCn1cc(CC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c2ccccc21 ZINC000821565568 599539886 /nfs/dbraw/zinc/53/98/86/599539886.db2.gz ZINIIPOIFTYALU-AWEZNQCLSA-N -1 3 374.448 3.261 20 0 FGADHM Cc1c(Cl)cccc1OCC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822034426 599542896 /nfs/dbraw/zinc/54/28/96/599542896.db2.gz CLSNFRHBQHTLCS-GFCCVEGCSA-N -1 3 371.828 3.085 20 0 FGADHM Cc1c(Cl)cccc1OCC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822034426 599542898 /nfs/dbraw/zinc/54/28/98/599542898.db2.gz CLSNFRHBQHTLCS-GFCCVEGCSA-N -1 3 371.828 3.085 20 0 FGADHM CC[C@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccc(F)cc1F ZINC000736353344 599550166 /nfs/dbraw/zinc/55/01/66/599550166.db2.gz ARFQGPZAXBKLEG-JEZWAEDTSA-N -1 3 369.375 3.426 20 0 FGADHM CC[C@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC000736353344 599550167 /nfs/dbraw/zinc/55/01/67/599550167.db2.gz ARFQGPZAXBKLEG-JEZWAEDTSA-N -1 3 369.375 3.426 20 0 FGADHM Cc1cc(C)c(C(=O)COC(=O)c2ccc(-c3nnn[n-]3)cc2C)cc1C ZINC000826262863 607383746 /nfs/dbraw/zinc/38/37/46/607383746.db2.gz AUJYVWMWOKMENA-UHFFFAOYSA-N -1 3 364.405 3.140 20 0 FGADHM Cc1cc(C)c(C(=O)COC(=O)c2ccc(-c3nn[n-]n3)cc2C)cc1C ZINC000826262863 607383748 /nfs/dbraw/zinc/38/37/48/607383748.db2.gz AUJYVWMWOKMENA-UHFFFAOYSA-N -1 3 364.405 3.140 20 0 FGADHM CC(C)Oc1cccc([C@@H](O)CNc2c(Cl)cccc2-c2nnn[n-]2)c1 ZINC000820178208 599561283 /nfs/dbraw/zinc/56/12/83/599561283.db2.gz KYZSGQWWNRNRFH-INIZCTEOSA-N -1 3 373.844 3.453 20 0 FGADHM CC(C)Oc1cccc([C@@H](O)CNc2c(Cl)cccc2-c2nn[n-]n2)c1 ZINC000820178208 599561287 /nfs/dbraw/zinc/56/12/87/599561287.db2.gz KYZSGQWWNRNRFH-INIZCTEOSA-N -1 3 373.844 3.453 20 0 FGADHM CCCC(=O)COC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736413250 599605780 /nfs/dbraw/zinc/60/57/80/599605780.db2.gz XANCVWDCQBIRAO-UHFFFAOYSA-N -1 3 366.377 3.185 20 0 FGADHM CCCC(=O)COC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736413250 599605782 /nfs/dbraw/zinc/60/57/82/599605782.db2.gz XANCVWDCQBIRAO-UHFFFAOYSA-N -1 3 366.377 3.185 20 0 FGADHM C[C@@H](C(=O)OCCCOc1ccc(-c2nn[n-]n2)cc1)c1ccsc1 ZINC000735571824 599606596 /nfs/dbraw/zinc/60/65/96/599606596.db2.gz KPKFYNBVZJYIQC-GFCCVEGCSA-N -1 3 358.423 3.044 20 0 FGADHM C[C@@H](C(=O)OCc1cn2ccccc2c1-c1nnn[n-]1)c1ccsc1 ZINC000735571990 599606936 /nfs/dbraw/zinc/60/69/36/599606936.db2.gz OBDVQPMEOZRFAQ-LLVKDONJSA-N -1 3 353.407 3.028 20 0 FGADHM C[C@@H](C(=O)OCc1cn2ccccc2c1-c1nn[n-]n1)c1ccsc1 ZINC000735571990 599606938 /nfs/dbraw/zinc/60/69/38/599606938.db2.gz OBDVQPMEOZRFAQ-LLVKDONJSA-N -1 3 353.407 3.028 20 0 FGADHM CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000820937665 599623033 /nfs/dbraw/zinc/62/30/33/599623033.db2.gz BRHNRAFOIZVKLC-COXVUDFISA-N -1 3 358.442 3.284 20 0 FGADHM CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000820937665 599623034 /nfs/dbraw/zinc/62/30/34/599623034.db2.gz BRHNRAFOIZVKLC-COXVUDFISA-N -1 3 358.442 3.284 20 0 FGADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1)[C@@H]1C[C@]12CCCc1ccccc12 ZINC000823417912 599623344 /nfs/dbraw/zinc/62/33/44/599623344.db2.gz LNQMLFADVGOQGV-RXVVDRJESA-N -1 3 360.417 3.204 20 0 FGADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1)[C@@H]1C[C@]12CCCc1ccccc12 ZINC000823417912 599623345 /nfs/dbraw/zinc/62/33/45/599623345.db2.gz LNQMLFADVGOQGV-RXVVDRJESA-N -1 3 360.417 3.204 20 0 FGADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)[C@@H]1SCCc2ccccc21 ZINC000823332209 599629875 /nfs/dbraw/zinc/62/98/75/599629875.db2.gz LSWMXLMLFQCPLW-OAHLLOKOSA-N -1 3 371.853 3.489 20 0 FGADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)[C@@H]1SCCc2ccccc21 ZINC000823332209 599629876 /nfs/dbraw/zinc/62/98/76/599629876.db2.gz LSWMXLMLFQCPLW-OAHLLOKOSA-N -1 3 371.853 3.489 20 0 FGADHM O=C(CC[C@H]1CCCCO1)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000822950670 599633204 /nfs/dbraw/zinc/63/32/04/599633204.db2.gz XCAKLYYMYCNNGU-LLVKDONJSA-N -1 3 369.347 3.173 20 0 FGADHM O=C(CC[C@H]1CCCCO1)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000822950670 599633205 /nfs/dbraw/zinc/63/32/05/599633205.db2.gz XCAKLYYMYCNNGU-LLVKDONJSA-N -1 3 369.347 3.173 20 0 FGADHM Cc1ccc2c(CCC(=O)N[C@H](C)c3ccc(-c4nnn[n-]4)cc3)c[nH]c2c1 ZINC000822274707 599648252 /nfs/dbraw/zinc/64/82/52/599648252.db2.gz GOVKBFCHCUTFRN-CQSZACIVSA-N -1 3 374.448 3.466 20 0 FGADHM Cc1ccc2c(CCC(=O)N[C@H](C)c3ccc(-c4nn[n-]n4)cc3)c[nH]c2c1 ZINC000822274707 599648253 /nfs/dbraw/zinc/64/82/53/599648253.db2.gz GOVKBFCHCUTFRN-CQSZACIVSA-N -1 3 374.448 3.466 20 0 FGADHM CN(C(=O)c1cc(Oc2ccccc2)ccn1)c1cccc(-c2nnn[n-]2)c1 ZINC000821573329 599648684 /nfs/dbraw/zinc/64/86/84/599648684.db2.gz LIJMPZBFNIYBIU-UHFFFAOYSA-N -1 3 372.388 3.331 20 0 FGADHM CN(C(=O)c1cc(Oc2ccccc2)ccn1)c1cccc(-c2nn[n-]n2)c1 ZINC000821573329 599648685 /nfs/dbraw/zinc/64/86/85/599648685.db2.gz LIJMPZBFNIYBIU-UHFFFAOYSA-N -1 3 372.388 3.331 20 0 FGADHM CC(C)C[C@H]1CCN(C(=O)[C@@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)C1 ZINC000820067169 599652650 /nfs/dbraw/zinc/65/26/50/599652650.db2.gz FIECVPRFZMWLIC-QAPCUYQASA-N -1 3 371.485 3.165 20 0 FGADHM CC(C)C[C@H]1CCN(C(=O)[C@@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)C1 ZINC000820067169 599652651 /nfs/dbraw/zinc/65/26/51/599652651.db2.gz FIECVPRFZMWLIC-QAPCUYQASA-N -1 3 371.485 3.165 20 0 FGADHM Cc1c(F)cccc1NC(=O)[C@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC000822035094 599657444 /nfs/dbraw/zinc/65/74/44/599657444.db2.gz PXBBHKBBPXFMCF-QGZVFWFLSA-N -1 3 369.400 3.356 20 0 FGADHM Cc1c(F)cccc1NC(=O)[C@H](Oc1ccccc1-c1nn[n-]n1)C(C)C ZINC000822035094 599657445 /nfs/dbraw/zinc/65/74/45/599657445.db2.gz PXBBHKBBPXFMCF-QGZVFWFLSA-N -1 3 369.400 3.356 20 0 FGADHM C[C@@]1(C(=O)OCc2ccc(-c3nnn[n-]3)cc2F)CCc2ccccc2C1 ZINC000820577837 599671331 /nfs/dbraw/zinc/67/13/31/599671331.db2.gz WAGAJWBUIVFMOP-HXUWFJFHSA-N -1 3 366.396 3.244 20 0 FGADHM C[C@@]1(C(=O)OCc2ccc(-c3nn[n-]n3)cc2F)CCc2ccccc2C1 ZINC000820577837 599671332 /nfs/dbraw/zinc/67/13/32/599671332.db2.gz WAGAJWBUIVFMOP-HXUWFJFHSA-N -1 3 366.396 3.244 20 0 FGADHM CCC[C@@H]1[C@H](C)CCCN1C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000821033618 599674012 /nfs/dbraw/zinc/67/40/12/599674012.db2.gz CNQBZIBJCWYMDG-MLGOLLRUSA-N -1 3 360.437 3.116 20 0 FGADHM CCC[C@@H]1[C@H](C)CCCN1C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000821033618 599674013 /nfs/dbraw/zinc/67/40/13/599674013.db2.gz CNQBZIBJCWYMDG-MLGOLLRUSA-N -1 3 360.437 3.116 20 0 FGADHM CC[C@@H]1Oc2cc([C@H](C)Nc3ccc(-c4nn[n-]n4)cc3)ccc2NC1=O ZINC000821001919 599689221 /nfs/dbraw/zinc/68/92/21/599689221.db2.gz TUDQBNQLVNODBE-ZBEGNZNMSA-N -1 3 364.409 3.149 20 0 FGADHM Cc1ccc2[nH]cc(CCC(=O)N[C@H](C)c3ccc(-c4nnn[n-]4)cc3)c2c1 ZINC000822275427 599696871 /nfs/dbraw/zinc/69/68/71/599696871.db2.gz UVAKGOKUUXHHLS-CQSZACIVSA-N -1 3 374.448 3.466 20 0 FGADHM Cc1ccc2[nH]cc(CCC(=O)N[C@H](C)c3ccc(-c4nn[n-]n4)cc3)c2c1 ZINC000822275427 599696872 /nfs/dbraw/zinc/69/68/72/599696872.db2.gz UVAKGOKUUXHHLS-CQSZACIVSA-N -1 3 374.448 3.466 20 0 FGADHM O=C(CCn1cccc1)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822986232 599698187 /nfs/dbraw/zinc/69/81/87/599698187.db2.gz ATRDOBJLGQHTEP-UHFFFAOYSA-N -1 3 374.404 3.489 20 0 FGADHM O=C(CCn1cccc1)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822986232 599698188 /nfs/dbraw/zinc/69/81/88/599698188.db2.gz ATRDOBJLGQHTEP-UHFFFAOYSA-N -1 3 374.404 3.489 20 0 FGADHM O=C([O-])C1(NC(=O)CN[C@H](c2ccc(F)cc2)C2CCC2)CCCCC1 ZINC000739309331 599793298 /nfs/dbraw/zinc/79/32/98/599793298.db2.gz WQLSIWJPQQBNHL-SFHVURJKSA-N -1 3 362.445 3.160 20 0 FGADHM Cc1cscc1NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000826320794 607393971 /nfs/dbraw/zinc/39/39/71/607393971.db2.gz DVDURXAKVVMAIH-UHFFFAOYSA-N -1 3 366.353 3.482 20 0 FGADHM Cc1cscc1NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000826320794 607393972 /nfs/dbraw/zinc/39/39/72/607393972.db2.gz DVDURXAKVVMAIH-UHFFFAOYSA-N -1 3 366.353 3.482 20 0 FGADHM Cc1ccc(C(=O)[O-])cc1NC(=O)CN[C@@]1(C)CCCc2ccccc21 ZINC000738530671 599803260 /nfs/dbraw/zinc/80/32/60/599803260.db2.gz GNMCZROSCSNEJC-NRFANRHFSA-N -1 3 352.434 3.473 20 0 FGADHM COc1ccc(C(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)c(C)c1 ZINC000821772661 607397022 /nfs/dbraw/zinc/39/70/22/607397022.db2.gz KFCBYGIFNQOMCZ-UHFFFAOYSA-N -1 3 367.409 3.223 20 0 FGADHM COc1ccc(C(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)c(C)c1 ZINC000821772661 607397023 /nfs/dbraw/zinc/39/70/23/607397023.db2.gz KFCBYGIFNQOMCZ-UHFFFAOYSA-N -1 3 367.409 3.223 20 0 FGADHM CC(C)Oc1ccc(NC(=O)CCCc2ccccn2)cc1-c1nnn[n-]1 ZINC000820159921 607399883 /nfs/dbraw/zinc/39/98/83/607399883.db2.gz BQQCTLBYCWDQFW-UHFFFAOYSA-N -1 3 366.425 3.010 20 0 FGADHM CC(C)Oc1ccc(NC(=O)CCCc2ccccn2)cc1-c1nn[n-]n1 ZINC000820159921 607399885 /nfs/dbraw/zinc/39/98/85/607399885.db2.gz BQQCTLBYCWDQFW-UHFFFAOYSA-N -1 3 366.425 3.010 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCc1nc(Cl)ccc1Cl ZINC000826252774 607400141 /nfs/dbraw/zinc/40/01/41/607400141.db2.gz QRTNBIFIMMMNNU-UHFFFAOYSA-N -1 3 364.192 3.234 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCc1nc(Cl)ccc1Cl ZINC000826252774 607400143 /nfs/dbraw/zinc/40/01/43/607400143.db2.gz QRTNBIFIMMMNNU-UHFFFAOYSA-N -1 3 364.192 3.234 20 0 FGADHM Cc1ccc(CCC(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)o1 ZINC000822235178 607401391 /nfs/dbraw/zinc/40/13/91/607401391.db2.gz WNDIMXORBRISPM-UHFFFAOYSA-N -1 3 355.398 3.127 20 0 FGADHM Cc1ccc(CCC(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)o1 ZINC000822235178 607401392 /nfs/dbraw/zinc/40/13/92/607401392.db2.gz WNDIMXORBRISPM-UHFFFAOYSA-N -1 3 355.398 3.127 20 0 FGADHM CN(C)CCN(Cc1ccccc1F)C(=O)c1cccc(NC(=O)[O-])c1 ZINC000737370376 599932332 /nfs/dbraw/zinc/93/23/32/599932332.db2.gz PQOPVQVANNJXOO-UHFFFAOYSA-N -1 3 359.401 3.120 20 0 FGADHM Cc1ccsc1[C@H]1C[C@@H]1C(=O)OCc1ccc(-c2nnn[n-]2)cc1C ZINC000826253163 607407879 /nfs/dbraw/zinc/40/78/79/607407879.db2.gz HDJWBOSSGYQQNQ-GJZGRUSLSA-N -1 3 354.435 3.392 20 0 FGADHM Cc1ccsc1[C@H]1C[C@@H]1C(=O)OCc1ccc(-c2nn[n-]n2)cc1C ZINC000826253163 607407880 /nfs/dbraw/zinc/40/78/80/607407880.db2.gz HDJWBOSSGYQQNQ-GJZGRUSLSA-N -1 3 354.435 3.392 20 0 FGADHM C[C@@H](CN(CC(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1)C1CC1)C(=O)[O-] ZINC000736578520 599951042 /nfs/dbraw/zinc/95/10/42/599951042.db2.gz LQROGWINTRWRCA-QWRGUYRKSA-N -1 3 373.280 3.356 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)CSc1ccccc1C ZINC000821741194 607408882 /nfs/dbraw/zinc/40/88/82/607408882.db2.gz IOPSSDKAJKCKOY-UHFFFAOYSA-N -1 3 370.434 3.019 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)CSc1ccccc1C ZINC000821741194 607408883 /nfs/dbraw/zinc/40/88/83/607408883.db2.gz IOPSSDKAJKCKOY-UHFFFAOYSA-N -1 3 370.434 3.019 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)c1cccc(OC(F)F)c1 ZINC000826254424 607410086 /nfs/dbraw/zinc/41/00/86/607410086.db2.gz KLVSMLXUTUEPIP-UHFFFAOYSA-N -1 3 360.320 3.134 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)c1cccc(OC(F)F)c1 ZINC000826254424 607410088 /nfs/dbraw/zinc/41/00/88/607410088.db2.gz KLVSMLXUTUEPIP-UHFFFAOYSA-N -1 3 360.320 3.134 20 0 FGADHM Cc1cccc(CN(CCN(C)C)C(=O)Nc2cc(C(=O)[O-])ccc2F)c1 ZINC000738709879 600008468 /nfs/dbraw/zinc/00/84/68/600008468.db2.gz ZXKVAFWVWBDNAK-UHFFFAOYSA-N -1 3 373.428 3.428 20 0 FGADHM Cc1ccc(NC(=O)Nc2cccc3c2CCN(CCC(=O)[O-])C3)cc1 ZINC000237692503 600013790 /nfs/dbraw/zinc/01/37/90/600013790.db2.gz GYQNTMCUZYMWHL-UHFFFAOYSA-N -1 3 353.422 3.472 20 0 FGADHM Cc1ccc(SCC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC000826292829 607422284 /nfs/dbraw/zinc/42/22/84/607422284.db2.gz NSWWIMCBQREPOB-UHFFFAOYSA-N -1 3 365.462 3.073 20 0 FGADHM Cc1ccc(SCC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000826292829 607422286 /nfs/dbraw/zinc/42/22/86/607422286.db2.gz NSWWIMCBQREPOB-UHFFFAOYSA-N -1 3 365.462 3.073 20 0 FGADHM CCC[C@@](C)(NCc1csc(-c2ccc(C(=O)OC)cc2)n1)C(=O)[O-] ZINC000736962678 600155562 /nfs/dbraw/zinc/15/55/62/600155562.db2.gz LPIFDRXRLBGEAW-GOSISDBHSA-N -1 3 362.451 3.330 20 0 FGADHM CN(C(=O)c1cccc(CN2CCCC2)c1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737339882 600194110 /nfs/dbraw/zinc/19/41/10/600194110.db2.gz BZFCNOCNGSZUBJ-LJQANCHMSA-N -1 3 352.434 3.180 20 0 FGADHM CC(C)Oc1ccc(NC(=O)N([C@@H](C)C2CC2)C2CC2)cc1-c1nnn[n-]1 ZINC000820164363 607428855 /nfs/dbraw/zinc/42/88/55/607428855.db2.gz JCTNKSOHZNSVCH-LBPRGKRZSA-N -1 3 370.457 3.449 20 0 FGADHM CC(C)Oc1ccc(NC(=O)N([C@@H](C)C2CC2)C2CC2)cc1-c1nn[n-]n1 ZINC000820164363 607428856 /nfs/dbraw/zinc/42/88/56/607428856.db2.gz JCTNKSOHZNSVCH-LBPRGKRZSA-N -1 3 370.457 3.449 20 0 FGADHM O=C([O-])c1ccc(-c2noc([C@@H]3CCCN(Cc4cccnc4)C3)n2)cc1 ZINC000740101895 600245919 /nfs/dbraw/zinc/24/59/19/600245919.db2.gz WWOCSWFCFWQBKN-QGZVFWFLSA-N -1 3 364.405 3.209 20 0 FGADHM O=C([O-])CCN(Cc1ccc(F)c(F)c1)C[C@@H](O)c1cccc(F)c1 ZINC000739719982 600327116 /nfs/dbraw/zinc/32/71/16/600327116.db2.gz DINGAWUPBAHMPB-QGZVFWFLSA-N -1 3 353.340 3.114 20 0 FGADHM CC[C@H](Oc1ccccc1Cl)C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825159664 607433191 /nfs/dbraw/zinc/43/31/91/607433191.db2.gz RLABITSQNIWFNW-HNNXBMFYSA-N -1 3 371.828 3.341 20 0 FGADHM CC[C@H](Oc1ccccc1Cl)C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825159664 607433193 /nfs/dbraw/zinc/43/31/93/607433193.db2.gz RLABITSQNIWFNW-HNNXBMFYSA-N -1 3 371.828 3.341 20 0 FGADHM COc1ccc(S[C@H](C)C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826211438 607439097 /nfs/dbraw/zinc/43/90/97/607439097.db2.gz CYORHYFSJYSQJT-GFCCVEGCSA-N -1 3 369.450 3.019 20 0 FGADHM COc1ccc(S[C@H](C)C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826211438 607439098 /nfs/dbraw/zinc/43/90/98/607439098.db2.gz CYORHYFSJYSQJT-GFCCVEGCSA-N -1 3 369.450 3.019 20 0 FGADHM C[C@H](c1ccccc1)N1CC[C@H](NC(=O)Nc2ccc(C(=O)[O-])cc2F)C1 ZINC000736723986 600398504 /nfs/dbraw/zinc/39/85/04/600398504.db2.gz HYWBAPBOEORXFW-CJNGLKHVSA-N -1 3 371.412 3.481 20 0 FGADHM O=C([O-])c1ccc(NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)c(F)c1 ZINC000389335016 600402201 /nfs/dbraw/zinc/40/22/01/600402201.db2.gz QEDSJUIVTFRZGF-INIZCTEOSA-N -1 3 371.412 3.310 20 0 FGADHM CCN(CC)C(=O)c1ccc(CN[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC000737085425 600421962 /nfs/dbraw/zinc/42/19/62/600421962.db2.gz ZUBJNEJMQZOELK-GOSISDBHSA-N -1 3 358.413 3.223 20 0 FGADHM O=C([O-])[C@@H](NCc1ccc(N2CCCCC2=O)cc1)c1ccc(F)cc1 ZINC000739499367 600427993 /nfs/dbraw/zinc/42/79/93/600427993.db2.gz JCXPKBFFBWCTLW-IBGZPJMESA-N -1 3 356.397 3.258 20 0 FGADHM CCCOc1cccc(CC(=O)OCc2ccc(-c3nnn[n-]3)cc2C)c1 ZINC000825342142 607444538 /nfs/dbraw/zinc/44/45/38/607444538.db2.gz NWBIXFLUCDJBAN-UHFFFAOYSA-N -1 3 366.421 3.250 20 0 FGADHM CCCOc1cccc(CC(=O)OCc2ccc(-c3nn[n-]n3)cc2C)c1 ZINC000825342142 607444539 /nfs/dbraw/zinc/44/45/39/607444539.db2.gz NWBIXFLUCDJBAN-UHFFFAOYSA-N -1 3 366.421 3.250 20 0 FGADHM O=C(N[C@@H]1C[C@@H]1C1CCCCC1)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826428436 607458065 /nfs/dbraw/zinc/45/80/65/607458065.db2.gz BVMFPLBNACKEPD-IAGOWNOFSA-N -1 3 366.469 3.124 20 0 FGADHM O=C(N[C@@H]1C[C@@H]1C1CCCCC1)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826428436 607458066 /nfs/dbraw/zinc/45/80/66/607458066.db2.gz BVMFPLBNACKEPD-IAGOWNOFSA-N -1 3 366.469 3.124 20 0 FGADHM C[C@H]1C[C@H](c2ccccc2)CN1CC(=O)NCc1ccc(NC(=O)[O-])cc1 ZINC000736761661 600629638 /nfs/dbraw/zinc/62/96/38/600629638.db2.gz OYUUGUFVCKESGY-YJBOKZPZSA-N -1 3 367.449 3.271 20 0 FGADHM CCCN(Cn1nc(C(=O)[O-])c(Cl)c1C)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000737021563 600706264 /nfs/dbraw/zinc/70/62/64/600706264.db2.gz WXYQSMYRGUKGML-KCPJHIHWSA-N -1 3 355.866 3.026 20 0 FGADHM CCN(CCC(=O)[O-])Cn1ncc2cc(OCc3ccccc3)ccc21 ZINC000829705513 600713773 /nfs/dbraw/zinc/71/37/73/600713773.db2.gz XBZJEUDZFFBBJC-UHFFFAOYSA-N -1 3 353.422 3.369 20 0 FGADHM C[C@@H]1CC[C@H](C)N1CC(=O)NC[C@@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000828214404 600950825 /nfs/dbraw/zinc/95/08/25/600950825.db2.gz MDZVZRHPMUQDKI-GQIGUUNPSA-N -1 3 368.477 3.072 20 0 FGADHM Cc1ccc([C@H]2CCCCN2CCCN2C(=O)CS/C2=C\C(=O)[O-])o1 ZINC000738584498 600968981 /nfs/dbraw/zinc/96/89/81/600968981.db2.gz XNJAUUDJUQCSFF-RQNDZEIBSA-N -1 3 364.467 3.007 20 0 FGADHM C[C@@](NCc1csc(COc2ccc(F)cc2)n1)(C(=O)[O-])C1CC1 ZINC000827741787 601037321 /nfs/dbraw/zinc/03/73/21/601037321.db2.gz STYGBOIDXLVAJV-KRWDZBQOSA-N -1 3 350.415 3.204 20 0 FGADHM Cc1ccc(NC(=O)N(CCN(C)C)Cc2cccc(F)c2)cc1C(=O)[O-] ZINC000832944316 601141497 /nfs/dbraw/zinc/14/14/97/601141497.db2.gz BBRHPCBQVMGAJI-UHFFFAOYSA-N -1 3 373.428 3.428 20 0 FGADHM C[C@@H](CSCc1ccccc1)C(=O)N(C)c1cccc(-c2nnn[n-]2)c1 ZINC000820294146 607499897 /nfs/dbraw/zinc/49/98/97/607499897.db2.gz RKBXJYZYOSDJKA-AWEZNQCLSA-N -1 3 367.478 3.399 20 0 FGADHM C[C@@H](CSCc1ccccc1)C(=O)N(C)c1cccc(-c2nn[n-]n2)c1 ZINC000820294146 607499899 /nfs/dbraw/zinc/49/98/99/607499899.db2.gz RKBXJYZYOSDJKA-AWEZNQCLSA-N -1 3 367.478 3.399 20 0 FGADHM Cc1ccc2cc(C(=O)N[C@@H](C)c3cccc(-c4nnn[n-]4)c3)ccc2n1 ZINC000822279624 607500894 /nfs/dbraw/zinc/50/08/94/607500894.db2.gz CWPWFMGXHYMKOV-ZDUSSCGKSA-N -1 3 358.405 3.214 20 0 FGADHM Cc1ccc2cc(C(=O)N[C@@H](C)c3cccc(-c4nn[n-]n4)c3)ccc2n1 ZINC000822279624 607500896 /nfs/dbraw/zinc/50/08/96/607500896.db2.gz CWPWFMGXHYMKOV-ZDUSSCGKSA-N -1 3 358.405 3.214 20 0 FGADHM CCC[C@@H](C)NC(=O)[C@H]1CCCN(Cc2cc(C(=O)[O-])oc2CC)C1 ZINC000829216449 601414358 /nfs/dbraw/zinc/41/43/58/601414358.db2.gz NCPQLGBXTKHAPD-KGLIPLIRSA-N -1 3 350.459 3.057 20 0 FGADHM Cc1ccc(CN[C@H](C(=O)[O-])c2ccccc2)c(OC[C@@H]2CCOC2)c1 ZINC000832933724 601497606 /nfs/dbraw/zinc/49/76/06/601497606.db2.gz ISRRVTPREITXLW-UZLBHIALSA-N -1 3 355.434 3.326 20 0 FGADHM C[C@H]1CN(Cc2ncc(-c3ccccc3Br)o2)C[C@@H]1C(=O)[O-] ZINC000828462171 601505241 /nfs/dbraw/zinc/50/52/41/601505241.db2.gz HQVGVDSTZNTKAF-JQWIXIFHSA-N -1 3 365.227 3.257 20 0 FGADHM C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000263346850 601538937 /nfs/dbraw/zinc/53/89/37/601538937.db2.gz OUOMDBSWAQYOOU-GBIKHYSHSA-N -1 3 369.343 3.469 20 0 FGADHM CCc1ccc([C@H](C)NC(=O)CN[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])cc1 ZINC000830239054 601650568 /nfs/dbraw/zinc/65/05/68/601650568.db2.gz VNAWYTLXGQIVNM-VWKPWSFCSA-N -1 3 368.477 3.478 20 0 FGADHM Cc1ccc(NC(=O)C2CCN(Cc3ccsc3C(=O)[O-])CC2)nc1 ZINC000832940615 601808977 /nfs/dbraw/zinc/80/89/77/601808977.db2.gz AHMSRCGLTFNJET-UHFFFAOYSA-N -1 3 359.451 3.000 20 0 FGADHM CCN(c1cccc(C)c1C)S(=O)(=O)c1cccc(C)c1-c1nnn[n-]1 ZINC000825444808 607533073 /nfs/dbraw/zinc/53/30/73/607533073.db2.gz RIKRWMUTUYPARF-UHFFFAOYSA-N -1 3 371.466 3.007 20 0 FGADHM CCN(c1cccc(C)c1C)S(=O)(=O)c1cccc(C)c1-c1nn[n-]n1 ZINC000825444808 607533074 /nfs/dbraw/zinc/53/30/74/607533074.db2.gz RIKRWMUTUYPARF-UHFFFAOYSA-N -1 3 371.466 3.007 20 0 FGADHM CCN(c1ccc(C)cc1C)S(=O)(=O)c1cccc(C)c1-c1nnn[n-]1 ZINC000825444448 607533388 /nfs/dbraw/zinc/53/33/88/607533388.db2.gz NRKNNYXUYZJZNV-UHFFFAOYSA-N -1 3 371.466 3.007 20 0 FGADHM CCN(c1ccc(C)cc1C)S(=O)(=O)c1cccc(C)c1-c1nn[n-]n1 ZINC000825444448 607533390 /nfs/dbraw/zinc/53/33/90/607533390.db2.gz NRKNNYXUYZJZNV-UHFFFAOYSA-N -1 3 371.466 3.007 20 0 FGADHM C[C@H]1CN(Cc2ccc(C(=O)[O-])s2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000828455761 601957629 /nfs/dbraw/zinc/95/76/29/601957629.db2.gz GJFQGJKACNLVJX-WCQYABFASA-N -1 3 354.472 3.181 20 0 FGADHM CCOc1ccc(CSCc2ccc(OC)c(-c3nnn[n-]3)c2)nc1 ZINC000825637927 607535861 /nfs/dbraw/zinc/53/58/61/607535861.db2.gz BQHCBBGRPIQTNQ-UHFFFAOYSA-N -1 3 357.439 3.102 20 0 FGADHM CCOc1ccc(CSCc2ccc(OC)c(-c3nn[n-]n3)c2)nc1 ZINC000825637927 607535863 /nfs/dbraw/zinc/53/58/63/607535863.db2.gz BQHCBBGRPIQTNQ-UHFFFAOYSA-N -1 3 357.439 3.102 20 0 FGADHM COc1ccc(COc2ccc(Cl)cc2C(C)=O)cc1-c1nnn[n-]1 ZINC000826207349 607539232 /nfs/dbraw/zinc/53/92/32/607539232.db2.gz KXSASLYOFLTEPJ-UHFFFAOYSA-N -1 3 358.785 3.310 20 0 FGADHM COc1ccc(COc2ccc(Cl)cc2C(C)=O)cc1-c1nn[n-]n1 ZINC000826207349 607539234 /nfs/dbraw/zinc/53/92/34/607539234.db2.gz KXSASLYOFLTEPJ-UHFFFAOYSA-N -1 3 358.785 3.310 20 0 FGADHM C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000828431323 602043862 /nfs/dbraw/zinc/04/38/62/602043862.db2.gz HRWBUGSSRYLJKZ-XPTSAGLGSA-N -1 3 371.359 3.008 20 0 FGADHM Cc1ccc(C(=O)Nc2cccc(CNC[C@@H]3CCCN3C(=O)[O-])c2)cc1 ZINC000740108129 602051089 /nfs/dbraw/zinc/05/10/89/602051089.db2.gz RZWPUCUPAVLFFX-IBGZPJMESA-N -1 3 367.449 3.479 20 0 FGADHM CCC1(CC)[C@H](N[C@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2C)C[C@@H]1OC ZINC000829055863 602177169 /nfs/dbraw/zinc/17/71/69/602177169.db2.gz PEZBBNQKWDCCCM-XYPHTWIQSA-N -1 3 362.470 3.204 20 0 FGADHM Cc1cccc(CN(CCN(C)C)C(=O)Cc2ccc(NC(=O)[O-])cc2)c1 ZINC000740168591 602312774 /nfs/dbraw/zinc/31/27/74/602312774.db2.gz CSNNZAWDMJCMMY-UHFFFAOYSA-N -1 3 369.465 3.218 20 0 FGADHM Cc1cccc(CN(CCN(C)C)C(=O)c2cccc(NC(=O)[O-])c2)c1 ZINC000738709808 602312950 /nfs/dbraw/zinc/31/29/50/602312950.db2.gz WBCSQFGYKQRBDA-UHFFFAOYSA-N -1 3 355.438 3.289 20 0 FGADHM CN(C)Cc1cccc(NC(=O)CC[C@@H](NC(=O)[O-])c2ccccc2)c1 ZINC000739614361 602458036 /nfs/dbraw/zinc/45/80/36/602458036.db2.gz GNQAJNMJGZGFQD-GOSISDBHSA-N -1 3 355.438 3.476 20 0 FGADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1ccccc1Nc1ccccc1 ZINC000826358170 607569126 /nfs/dbraw/zinc/56/91/26/607569126.db2.gz INBVHWSHIGSOIP-UHFFFAOYSA-N -1 3 359.393 3.201 20 0 FGADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1ccccc1Nc1ccccc1 ZINC000826358170 607569128 /nfs/dbraw/zinc/56/91/28/607569128.db2.gz INBVHWSHIGSOIP-UHFFFAOYSA-N -1 3 359.393 3.201 20 0 FGADHM O=C([O-])NC[C@H]1CCCCN1Cc1ccc(OCc2cccnc2)cc1 ZINC000740625689 602551500 /nfs/dbraw/zinc/55/15/00/602551500.db2.gz WOYLCNNMHBNQPS-GOSISDBHSA-N -1 3 355.438 3.283 20 0 FGADHM C[C@H]1CN(Cc2ccc(OCc3ccccn3)cc2)CC[C@@H]1NC(=O)[O-] ZINC000739194130 602766878 /nfs/dbraw/zinc/76/68/78/602766878.db2.gz UUXDOBVIIWKRLJ-KXBFYZLASA-N -1 3 355.438 3.139 20 0 FGADHM COc1ccc(COC(=O)C2(c3ccccc3)CCC2)cc1-c1nnn[n-]1 ZINC000826204950 607597463 /nfs/dbraw/zinc/59/74/63/607597463.db2.gz DWZJYZYWUDMBHJ-UHFFFAOYSA-N -1 3 364.405 3.040 20 0 FGADHM COc1ccc(COC(=O)C2(c3ccccc3)CCC2)cc1-c1nn[n-]n1 ZINC000826204950 607597466 /nfs/dbraw/zinc/59/74/66/607597466.db2.gz DWZJYZYWUDMBHJ-UHFFFAOYSA-N -1 3 364.405 3.040 20 0 FGADHM CN(C)Cc1cccc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])c1 ZINC000739609429 603102992 /nfs/dbraw/zinc/10/29/92/603102992.db2.gz CQJDEYZTDVYOCB-UHFFFAOYSA-N -1 3 353.422 3.431 20 0 FGADHM COc1ccc(COC(=O)C[C@@H]2CCc3ccccc32)cc1-c1nnn[n-]1 ZINC000826205404 607607510 /nfs/dbraw/zinc/60/75/10/607607510.db2.gz VHIJARBWWLEJGW-HNNXBMFYSA-N -1 3 364.405 3.039 20 0 FGADHM COc1ccc(COC(=O)C[C@@H]2CCc3ccccc32)cc1-c1nn[n-]n1 ZINC000826205404 607607511 /nfs/dbraw/zinc/60/75/11/607607511.db2.gz VHIJARBWWLEJGW-HNNXBMFYSA-N -1 3 364.405 3.039 20 0 FGADHM CCN(CC)[C@H](CNC(=O)[C@H]1CCC[C@@H](NC(=O)[O-])C1)c1ccsc1 ZINC000739406828 603240228 /nfs/dbraw/zinc/24/02/28/603240228.db2.gz HCGJAOWGQFPTSI-NUEKZKHPSA-N -1 3 367.515 3.074 20 0 FGADHM CN(C)Cc1cccc(NC(=O)[C@@H](NC(=O)[O-])c2cccc(Cl)c2)c1 ZINC000739614837 603275757 /nfs/dbraw/zinc/27/57/57/603275757.db2.gz KRKKOGRRWHADCU-INIZCTEOSA-N -1 3 361.829 3.349 20 0 FGADHM CN(C)[C@H](CNC(=O)Nc1ccccc1CN(C)C(=O)[O-])c1ccccc1 ZINC000739718966 603336175 /nfs/dbraw/zinc/33/61/75/603336175.db2.gz YYUMABIEGSMMOZ-GOSISDBHSA-N -1 3 370.453 3.221 20 0 FGADHM O=C([O-])Nc1ccc(CNC[C@H](O)c2ccc(Cl)cc2Cl)cn1 ZINC000832842154 603553475 /nfs/dbraw/zinc/55/34/75/603553475.db2.gz OWOOINQEEOUDJI-ZDUSSCGKSA-N -1 3 356.209 3.302 20 0 FGADHM C[C@H](NC(=S)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1cccs1 ZINC000824520639 607647836 /nfs/dbraw/zinc/64/78/36/607647836.db2.gz ARPZWVQTMLLXRH-NSHDSACASA-N -1 3 370.507 3.143 20 0 FGADHM C[C@H](NC(=S)NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1cccs1 ZINC000824520639 607647838 /nfs/dbraw/zinc/64/78/38/607647838.db2.gz ARPZWVQTMLLXRH-NSHDSACASA-N -1 3 370.507 3.143 20 0 FGADHM Cc1ccc(NC(=S)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)c(C)c1 ZINC000826291389 607648299 /nfs/dbraw/zinc/64/82/99/607648299.db2.gz DEBAVANQWJTDHH-UHFFFAOYSA-N -1 3 364.478 3.459 20 0 FGADHM Cc1ccc(NC(=S)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)c(C)c1 ZINC000826291389 607648301 /nfs/dbraw/zinc/64/83/01/607648301.db2.gz DEBAVANQWJTDHH-UHFFFAOYSA-N -1 3 364.478 3.459 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@H]1CCSc2ccccc21 ZINC000826247580 607649997 /nfs/dbraw/zinc/64/99/97/607649997.db2.gz HVAXXTNJHNAMJA-HNNXBMFYSA-N -1 3 351.435 3.142 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@H]1CCSc2ccccc21 ZINC000826247580 607649998 /nfs/dbraw/zinc/64/99/98/607649998.db2.gz HVAXXTNJHNAMJA-HNNXBMFYSA-N -1 3 351.435 3.142 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccc(N2CCCC2)c(C)c1 ZINC000826250167 607655310 /nfs/dbraw/zinc/65/53/10/607655310.db2.gz NSMRPZULQUJCJH-UHFFFAOYSA-N -1 3 362.437 3.336 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccc(N2CCCC2)c(C)c1 ZINC000826250167 607655312 /nfs/dbraw/zinc/65/53/12/607655312.db2.gz NSMRPZULQUJCJH-UHFFFAOYSA-N -1 3 362.437 3.336 20 0 FGADHM COc1ccc([C@@H](C)N(C)C(=O)c2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000826188347 607656630 /nfs/dbraw/zinc/65/66/30/607656630.db2.gz UPJDJXCMKNIYOB-CYBMUJFWSA-N -1 3 351.410 3.017 20 0 FGADHM COc1ccc([C@@H](C)N(C)C(=O)c2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000826188347 607656631 /nfs/dbraw/zinc/65/66/31/607656631.db2.gz UPJDJXCMKNIYOB-CYBMUJFWSA-N -1 3 351.410 3.017 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@@H](C)c1ccc(OC(F)F)cc1 ZINC000826246787 607658050 /nfs/dbraw/zinc/65/80/50/607658050.db2.gz LGDWPDCBRMPRMF-NSHDSACASA-N -1 3 373.363 3.268 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@@H](C)c1ccc(OC(F)F)cc1 ZINC000826246787 607658052 /nfs/dbraw/zinc/65/80/52/607658052.db2.gz LGDWPDCBRMPRMF-NSHDSACASA-N -1 3 373.363 3.268 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccc2oc(C3CC3)nc2c1 ZINC000826250195 607662281 /nfs/dbraw/zinc/66/22/81/607662281.db2.gz OVCBWOMOPYDFRT-UHFFFAOYSA-N -1 3 360.377 3.446 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccc2oc(C3CC3)nc2c1 ZINC000826250195 607662282 /nfs/dbraw/zinc/66/22/82/607662282.db2.gz OVCBWOMOPYDFRT-UHFFFAOYSA-N -1 3 360.377 3.446 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccc(COC(C)C)cc1 ZINC000826249909 607670547 /nfs/dbraw/zinc/67/05/47/607670547.db2.gz AVAJXWRKBAVDBG-UHFFFAOYSA-N -1 3 351.410 3.352 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccc(COC(C)C)cc1 ZINC000826249909 607670549 /nfs/dbraw/zinc/67/05/49/607670549.db2.gz AVAJXWRKBAVDBG-UHFFFAOYSA-N -1 3 351.410 3.352 20 0 FGADHM CN(C[C@H]1CCCN1Cc1ccc(OCc2ccccn2)cc1)C(=O)[O-] ZINC000828230497 604109199 /nfs/dbraw/zinc/10/91/99/604109199.db2.gz QHOSVRGWYLGINR-GOSISDBHSA-N -1 3 355.438 3.235 20 0 FGADHM CCOC(=O)CCC1CCN(c2c(Cl)cccc2-c2nnn[n-]2)CC1 ZINC000825507361 607679493 /nfs/dbraw/zinc/67/94/93/607679493.db2.gz QKDRFNCYPBKTGJ-UHFFFAOYSA-N -1 3 363.849 3.080 20 0 FGADHM CCOC(=O)CCC1CCN(c2c(Cl)cccc2-c2nn[n-]n2)CC1 ZINC000825507361 607679495 /nfs/dbraw/zinc/67/94/95/607679495.db2.gz QKDRFNCYPBKTGJ-UHFFFAOYSA-N -1 3 363.849 3.080 20 0 FGADHM CCOc1ccccc1[C@H](CC)NC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000825654143 607679607 /nfs/dbraw/zinc/67/96/07/607679607.db2.gz PLWNDBSBLLFNSF-KRWDZBQOSA-N -1 3 365.437 3.455 20 0 FGADHM CCOc1ccccc1[C@H](CC)NC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000825654143 607679609 /nfs/dbraw/zinc/67/96/09/607679609.db2.gz PLWNDBSBLLFNSF-KRWDZBQOSA-N -1 3 365.437 3.455 20 0 FGADHM O=C([O-])c1cc(NC(=O)N2CCN(C3CCCCC3)CC2)c(F)cc1F ZINC000833299696 604321191 /nfs/dbraw/zinc/32/11/91/604321191.db2.gz GEFNNKSFANDMDF-UHFFFAOYSA-N -1 3 367.396 3.145 20 0 FGADHM CC(C)OC[C@H](C(=O)[O-])N(C)Cc1cc(Cl)ccc1OC(F)F ZINC000827022666 604403775 /nfs/dbraw/zinc/40/37/75/604403775.db2.gz YBOIIYOFUBUOQF-GFCCVEGCSA-N -1 3 351.777 3.251 20 0 FGADHM CC[C@H](CC(=O)NCc1cccc(-c2nnn[n-]2)c1)c1ccc(OC)cc1 ZINC000825080690 607693186 /nfs/dbraw/zinc/69/31/86/607693186.db2.gz BLLGKGMEVMAWQF-OAHLLOKOSA-N -1 3 365.437 3.075 20 0 FGADHM CC[C@H](CC(=O)NCc1cccc(-c2nn[n-]n2)c1)c1ccc(OC)cc1 ZINC000825080690 607693188 /nfs/dbraw/zinc/69/31/88/607693188.db2.gz BLLGKGMEVMAWQF-OAHLLOKOSA-N -1 3 365.437 3.075 20 0 FGADHM Cc1cc(N2CCCC2)ccc1NC(=O)CNC1(C(=O)[O-])CCCCCC1 ZINC000833746222 604481516 /nfs/dbraw/zinc/48/15/16/604481516.db2.gz UPSNZVQWRXGIRO-UHFFFAOYSA-N -1 3 373.497 3.301 20 0 FGADHM O=C([O-])c1csc(NC(=O)NC[C@H](c2ccccc2)N2CCCC2)c1 ZINC000833134399 604506016 /nfs/dbraw/zinc/50/60/16/604506016.db2.gz PSWDYRQAEXQAGH-OAHLLOKOSA-N -1 3 359.451 3.405 20 0 FGADHM CC(C)(C)C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1ccc(F)cc1 ZINC000824085908 607698525 /nfs/dbraw/zinc/69/85/25/607698525.db2.gz HSMZOVJGBBHOTD-OAHLLOKOSA-N -1 3 356.405 3.241 20 0 FGADHM CC(C)(C)C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1ccc(F)cc1 ZINC000824085908 607698526 /nfs/dbraw/zinc/69/85/26/607698526.db2.gz HSMZOVJGBBHOTD-OAHLLOKOSA-N -1 3 356.405 3.241 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1nc2c(ccc(F)c2C)s1 ZINC000826250834 607703666 /nfs/dbraw/zinc/70/36/66/607703666.db2.gz UWIPRDYMXMDMEW-UHFFFAOYSA-N -1 3 368.397 3.485 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1nc2c(ccc(F)c2C)s1 ZINC000826250834 607703668 /nfs/dbraw/zinc/70/36/68/607703668.db2.gz UWIPRDYMXMDMEW-UHFFFAOYSA-N -1 3 368.397 3.485 20 0 FGADHM Cc1ccc(NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)cc1O ZINC000826290736 607707616 /nfs/dbraw/zinc/70/76/16/607707616.db2.gz XVRDKLYQOLNBME-UHFFFAOYSA-N -1 3 367.409 3.069 20 0 FGADHM Cc1ccc(NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)cc1O ZINC000826290736 607707618 /nfs/dbraw/zinc/70/76/18/607707618.db2.gz XVRDKLYQOLNBME-UHFFFAOYSA-N -1 3 367.409 3.069 20 0 FGADHM Cc1c(NC(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)cccc1C(=O)[O-] ZINC000833742311 604794760 /nfs/dbraw/zinc/79/47/60/604794760.db2.gz QIVZSZFBOLQVIB-QZTJIDSGSA-N -1 3 353.422 3.260 20 0 FGADHM COc1cc(N[C@H]2CCCN(Cc3ccc(C(=O)[O-])o3)C2)cc(OC)c1 ZINC000832026192 604798781 /nfs/dbraw/zinc/79/87/81/604798781.db2.gz IGXWKUANUPROFC-ZDUSSCGKSA-N -1 3 360.410 3.072 20 0 FGADHM COc1cc(N[C@@H]2CCCN(Cc3cc(C(=O)[O-])oc3C)C2)cc(OC)c1 ZINC000832026933 604801481 /nfs/dbraw/zinc/80/14/81/604801481.db2.gz RXEMKAXUNCDXIL-OAHLLOKOSA-N -1 3 374.437 3.380 20 0 FGADHM CCC[C@H](Cc1ccccc1)N(CCC)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000825242113 607721739 /nfs/dbraw/zinc/72/17/39/607721739.db2.gz IMAIKBGYPUIWKV-MRXNPFEDSA-N -1 3 366.469 3.458 20 0 FGADHM CCC[C@H](Cc1ccccc1)N(CCC)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000825242113 607721741 /nfs/dbraw/zinc/72/17/41/607721741.db2.gz IMAIKBGYPUIWKV-MRXNPFEDSA-N -1 3 366.469 3.458 20 0 FGADHM C[C@@H](C(=O)Nc1cccc(Cl)c1)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000833410272 604953128 /nfs/dbraw/zinc/95/31/28/604953128.db2.gz WNLDVCACIHHNSM-QWHCGFSZSA-N -1 3 352.862 3.490 20 0 FGADHM CC(C)[C@H](C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1)N1CCCCC1 ZINC000826676844 604959714 /nfs/dbraw/zinc/95/97/14/604959714.db2.gz LEHHSBXDZQVOIH-QGZVFWFLSA-N -1 3 368.861 3.252 20 0 FGADHM O=C(NCC1(Sc2ccccc2)CCCC1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826434706 607735430 /nfs/dbraw/zinc/73/54/30/607735430.db2.gz VFUOOWAOIXJEHS-UHFFFAOYSA-N -1 3 368.466 3.030 20 0 FGADHM O=C(NCC1(Sc2ccccc2)CCCC1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826434706 607735431 /nfs/dbraw/zinc/73/54/31/607735431.db2.gz VFUOOWAOIXJEHS-UHFFFAOYSA-N -1 3 368.466 3.030 20 0 FGADHM C[C@@H](NCc1ccc(O[C@@H](C)C(=O)[O-])cc1)c1ccc([S@](C)=O)cc1 ZINC000833543440 605122915 /nfs/dbraw/zinc/12/29/15/605122915.db2.gz YLCDHNGIAROJJW-JXQWACKNSA-N -1 3 361.463 3.127 20 0 FGADHM Cc1ccc([C@H]2[C@@H](C)CCCN2C(=O)c2ccc(-c3nnn[n-]3)[nH]2)cc1 ZINC000826285212 607741512 /nfs/dbraw/zinc/74/15/12/607741512.db2.gz RYKCVCRVMBDORX-SUMWQHHRSA-N -1 3 350.426 3.117 20 0 FGADHM Cc1ccc([C@H]2[C@@H](C)CCCN2C(=O)c2ccc(-c3nn[n-]n3)[nH]2)cc1 ZINC000826285212 607741513 /nfs/dbraw/zinc/74/15/13/607741513.db2.gz RYKCVCRVMBDORX-SUMWQHHRSA-N -1 3 350.426 3.117 20 0 FGADHM Cc1ccccc1-c1cc(NCc2ccc(-c3nnn[n-]3)cc2F)n(C)n1 ZINC000826305507 607751533 /nfs/dbraw/zinc/75/15/33/607751533.db2.gz ZCAVIEJXAPVWTE-UHFFFAOYSA-N -1 3 363.400 3.327 20 0 FGADHM Cc1ccccc1-c1cc(NCc2ccc(-c3nn[n-]n3)cc2F)n(C)n1 ZINC000826305507 607751534 /nfs/dbraw/zinc/75/15/34/607751534.db2.gz ZCAVIEJXAPVWTE-UHFFFAOYSA-N -1 3 363.400 3.327 20 0 FGADHM CC1([C@@H]2CCCN([C@@H](C(=O)[O-])c3c(F)cccc3Cl)C2)OCCO1 ZINC000833563584 605444511 /nfs/dbraw/zinc/44/45/11/605444511.db2.gz HPMGVFHGOAABJD-IAQYHMDHSA-N -1 3 357.809 3.080 20 0 FGADHM CCCN(CC(=O)Nc1ccc(SC)cc1)C1CCN(C(=O)[O-])CC1 ZINC000826902720 605483394 /nfs/dbraw/zinc/48/33/94/605483394.db2.gz FLTSWKAECBFFMJ-UHFFFAOYSA-N -1 3 365.499 3.201 20 0 FGADHM O=C(N[C@H](CC1CCCC1)c1ccccc1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826426579 607768116 /nfs/dbraw/zinc/76/81/16/607768116.db2.gz QRFCOEAVRDXPBF-QGZVFWFLSA-N -1 3 350.426 3.246 20 0 FGADHM O=C(N[C@H](CC1CCCC1)c1ccccc1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826426579 607768117 /nfs/dbraw/zinc/76/81/17/607768117.db2.gz QRFCOEAVRDXPBF-QGZVFWFLSA-N -1 3 350.426 3.246 20 0 FGADHM CCc1ccc(NC(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)cc1F ZINC000825711873 607768694 /nfs/dbraw/zinc/76/86/94/607768694.db2.gz HVZOHGIXDSTZGN-UHFFFAOYSA-N -1 3 354.389 3.232 20 0 FGADHM CCc1ccc(NC(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000825711873 607768695 /nfs/dbraw/zinc/76/86/95/607768695.db2.gz HVZOHGIXDSTZGN-UHFFFAOYSA-N -1 3 354.389 3.232 20 0 FGADHM O=C(Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)c1cc(Cl)c[nH]1 ZINC000826459721 607769088 /nfs/dbraw/zinc/76/90/88/607769088.db2.gz WZTPTDTXAFJQES-UHFFFAOYSA-N -1 3 371.813 3.224 20 0 FGADHM O=C(Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)c1cc(Cl)c[nH]1 ZINC000826459721 607769089 /nfs/dbraw/zinc/76/90/89/607769089.db2.gz WZTPTDTXAFJQES-UHFFFAOYSA-N -1 3 371.813 3.224 20 0 FGADHM CCCCO[C@@H](C)C(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000825291090 607770167 /nfs/dbraw/zinc/77/01/67/607770167.db2.gz MDAUGHTZHIPZSE-NSHDSACASA-N -1 3 372.454 3.134 20 0 FGADHM CCCCO[C@@H](C)C(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000825291090 607770168 /nfs/dbraw/zinc/77/01/68/607770168.db2.gz MDAUGHTZHIPZSE-NSHDSACASA-N -1 3 372.454 3.134 20 0 FGADHM O=C([O-])N[C@H]1C[C@@H](NCc2ccccc2N2CCOCC2)c2ccccc21 ZINC000834158516 605794588 /nfs/dbraw/zinc/79/45/88/605794588.db2.gz OAGWBJCNYSSWKJ-MOPGFXCFSA-N -1 3 367.449 3.067 20 0 FGADHM CCOc1ccc(Oc2cc(CN[C@@H]3CCN(C(=O)[O-])C3)ccn2)cc1 ZINC000827445008 605838159 /nfs/dbraw/zinc/83/81/59/605838159.db2.gz SUZVNEXCAHKQMP-OAHLLOKOSA-N -1 3 357.410 3.115 20 0 FGADHM COc1ccccc1[C@@H](CC(C)C)NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821882431 606104644 /nfs/dbraw/zinc/10/46/44/606104644.db2.gz AIVVVDBAHCYJGP-QGZVFWFLSA-N -1 3 365.437 3.393 20 0 FGADHM COc1ccccc1[C@@H](CC(C)C)NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821882431 606104646 /nfs/dbraw/zinc/10/46/46/606104646.db2.gz AIVVVDBAHCYJGP-QGZVFWFLSA-N -1 3 365.437 3.393 20 0 FGADHM Cc1sc(NC(=O)CN2C[C@@H](C)c3ccccc32)c(-c2nnn[n-]2)c1C ZINC000822556268 606107912 /nfs/dbraw/zinc/10/79/12/606107912.db2.gz BAIUSLIUFKEZQD-SNVBAGLBSA-N -1 3 368.466 3.107 20 0 FGADHM Cc1sc(NC(=O)CN2C[C@@H](C)c3ccccc32)c(-c2nn[n-]n2)c1C ZINC000822556268 606107913 /nfs/dbraw/zinc/10/79/13/606107913.db2.gz BAIUSLIUFKEZQD-SNVBAGLBSA-N -1 3 368.466 3.107 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H](C)[C@H](C)c1ccccc1 ZINC000822218116 606120788 /nfs/dbraw/zinc/12/07/88/606120788.db2.gz XNPNTDKHBLSJJC-UONOGXRCSA-N -1 3 350.426 3.489 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H](C)[C@H](C)c1ccccc1 ZINC000822218116 606120789 /nfs/dbraw/zinc/12/07/89/606120789.db2.gz XNPNTDKHBLSJJC-UONOGXRCSA-N -1 3 350.426 3.489 20 0 FGADHM COc1ccc([C@H](C)CC(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000821778095 606126524 /nfs/dbraw/zinc/12/65/24/606126524.db2.gz UAPNRNTUMBBKRI-GFCCVEGCSA-N -1 3 369.400 3.171 20 0 FGADHM COc1ccc([C@H](C)CC(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000821778095 606126525 /nfs/dbraw/zinc/12/65/25/606126525.db2.gz UAPNRNTUMBBKRI-GFCCVEGCSA-N -1 3 369.400 3.171 20 0 FGADHM CCS[C@H]1CCCC[C@H]1NC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821456648 606130761 /nfs/dbraw/zinc/13/07/61/606130761.db2.gz RLSVCQFKVRHAHN-CVEARBPZSA-N -1 3 374.514 3.072 20 0 FGADHM CCS[C@H]1CCCC[C@H]1NC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821456648 606130762 /nfs/dbraw/zinc/13/07/62/606130762.db2.gz RLSVCQFKVRHAHN-CVEARBPZSA-N -1 3 374.514 3.072 20 0 FGADHM O=C(CSCc1cccc(F)c1F)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000823060746 606131100 /nfs/dbraw/zinc/13/11/00/606131100.db2.gz KEIBVCYKIXCKST-UHFFFAOYSA-N -1 3 361.377 3.017 20 0 FGADHM O=C(CSCc1cccc(F)c1F)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000823060746 606131102 /nfs/dbraw/zinc/13/11/02/606131102.db2.gz KEIBVCYKIXCKST-UHFFFAOYSA-N -1 3 361.377 3.017 20 0 FGADHM COc1cc(F)c([C@H](C)OC(=O)c2sccc2-c2nnn[n-]2)c(F)c1 ZINC000821720468 606131180 /nfs/dbraw/zinc/13/11/80/606131180.db2.gz RZODXWPCTGROMG-ZETCQYMHSA-N -1 3 366.349 3.133 20 0 FGADHM Fc1ccc(F)c(CCNc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)c1 ZINC000822774879 606142345 /nfs/dbraw/zinc/14/23/45/606142345.db2.gz QMCNKWLRJHDVSG-UHFFFAOYSA-N -1 3 370.285 3.213 20 0 FGADHM Fc1ccc(F)c(CCNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)c1 ZINC000822774879 606142347 /nfs/dbraw/zinc/14/23/47/606142347.db2.gz QMCNKWLRJHDVSG-UHFFFAOYSA-N -1 3 370.285 3.213 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CO[C@H]1CCCC[C@H]1C ZINC000821123728 606192961 /nfs/dbraw/zinc/19/29/61/606192961.db2.gz WLMRVIDNMBHKSX-DYVFJYSZSA-N -1 3 372.473 3.222 20 0 FGADHM O[C@@H](C[C@H]1CCCN1c1cccc(F)c1-c1nnn[n-]1)c1cccs1 ZINC000823672191 606201298 /nfs/dbraw/zinc/20/12/98/606201298.db2.gz CEDDIGPDVXLJEJ-RISCZKNCSA-N -1 3 359.430 3.160 20 0 FGADHM O[C@@H](C[C@H]1CCCN1c1cccc(F)c1-c1nn[n-]n1)c1cccs1 ZINC000823672191 606201300 /nfs/dbraw/zinc/20/13/00/606201300.db2.gz CEDDIGPDVXLJEJ-RISCZKNCSA-N -1 3 359.430 3.160 20 0 FGADHM O=C(Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1)[C@@H]1C[C@H]1C1CC1 ZINC000823355512 606227319 /nfs/dbraw/zinc/22/73/19/606227319.db2.gz DNRAFGBEDJXCDU-JKSUJKDBSA-N -1 3 362.393 3.039 20 0 FGADHM O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1)[C@@H]1C[C@H]1C1CC1 ZINC000823355512 606227321 /nfs/dbraw/zinc/22/73/21/606227321.db2.gz DNRAFGBEDJXCDU-JKSUJKDBSA-N -1 3 362.393 3.039 20 0 FGADHM COc1cccc(C(C)=CC(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000821859375 606242279 /nfs/dbraw/zinc/24/22/79/606242279.db2.gz NOPQYOSAWWVMMO-XFXZXTDPSA-N -1 3 367.384 3.081 20 0 FGADHM COc1cccc(C(C)=CC(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000821859375 606242280 /nfs/dbraw/zinc/24/22/80/606242280.db2.gz NOPQYOSAWWVMMO-XFXZXTDPSA-N -1 3 367.384 3.081 20 0 FGADHM C[C@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1cc(F)c(Cl)cc1Cl ZINC000820384518 606246046 /nfs/dbraw/zinc/24/60/46/606246046.db2.gz HBWSSPURUBBJOT-LURJTMIESA-N -1 3 369.187 3.132 20 0 FGADHM C[C@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1cc(F)c(Cl)cc1Cl ZINC000820384518 606246048 /nfs/dbraw/zinc/24/60/48/606246048.db2.gz HBWSSPURUBBJOT-LURJTMIESA-N -1 3 369.187 3.132 20 0 FGADHM O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823375637 606250438 /nfs/dbraw/zinc/25/04/38/606250438.db2.gz CPPNMZQEPVEAGV-UHFFFAOYSA-N -1 3 371.813 3.224 20 0 FGADHM O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823375637 606250439 /nfs/dbraw/zinc/25/04/39/606250439.db2.gz CPPNMZQEPVEAGV-UHFFFAOYSA-N -1 3 371.813 3.224 20 0 FGADHM CC[C@@H](Oc1ccccc1F)C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820938452 606254668 /nfs/dbraw/zinc/25/46/68/606254668.db2.gz JALJJTDFAFFHQX-BLLLJJGKSA-N -1 3 369.400 3.041 20 0 FGADHM CC[C@@H](Oc1ccccc1F)C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820938452 606254669 /nfs/dbraw/zinc/25/46/69/606254669.db2.gz JALJJTDFAFFHQX-BLLLJJGKSA-N -1 3 369.400 3.041 20 0 FGADHM COc1cccc(C(C)=CC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000821859701 606259281 /nfs/dbraw/zinc/25/92/81/606259281.db2.gz RSPZKKRMNSOGEO-UELRPHRMSA-N -1 3 363.421 3.156 20 0 FGADHM COc1cccc(C(C)=CC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000821859701 606259282 /nfs/dbraw/zinc/25/92/82/606259282.db2.gz RSPZKKRMNSOGEO-UELRPHRMSA-N -1 3 363.421 3.156 20 0 FGADHM O=C(N[C@@H](CCc1ccccc1)c1ccccc1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823140315 606259480 /nfs/dbraw/zinc/25/94/80/606259480.db2.gz RZTRDQPDXNTAOZ-SFHVURJKSA-N -1 3 372.432 3.299 20 0 FGADHM O=C(N[C@@H](CCc1ccccc1)c1ccccc1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823140315 606259481 /nfs/dbraw/zinc/25/94/81/606259481.db2.gz RZTRDQPDXNTAOZ-SFHVURJKSA-N -1 3 372.432 3.299 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000823337432 606267388 /nfs/dbraw/zinc/26/73/88/606267388.db2.gz LWVAOCCEGYJDGY-CMPLNLGQSA-N -1 3 359.311 3.026 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000823337432 606267390 /nfs/dbraw/zinc/26/73/90/606267390.db2.gz LWVAOCCEGYJDGY-CMPLNLGQSA-N -1 3 359.311 3.026 20 0 FGADHM O=C(Cc1c(Cl)cccc1Cl)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000823074258 606267576 /nfs/dbraw/zinc/26/75/76/606267576.db2.gz NMNAPDRYMOIVKO-UHFFFAOYSA-N -1 3 366.183 3.494 20 0 FGADHM O=C(Cc1c(Cl)cccc1Cl)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000823074258 606267578 /nfs/dbraw/zinc/26/75/78/606267578.db2.gz NMNAPDRYMOIVKO-UHFFFAOYSA-N -1 3 366.183 3.494 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1csc(C2CC2)n1 ZINC000821123444 606283266 /nfs/dbraw/zinc/28/32/66/606283266.db2.gz SUFBASKWTDFUOW-UHFFFAOYSA-N -1 3 369.454 3.275 20 0 FGADHM CCCc1ccc(N[C@@H](C(=O)OC)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821142498 606297804 /nfs/dbraw/zinc/29/78/04/606297804.db2.gz JTERBXGJZDWQIE-QGZVFWFLSA-N -1 3 351.410 3.145 20 0 FGADHM CCCc1ccc(N[C@@H](C(=O)OC)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821142498 606297805 /nfs/dbraw/zinc/29/78/05/606297805.db2.gz JTERBXGJZDWQIE-QGZVFWFLSA-N -1 3 351.410 3.145 20 0 FGADHM CC(C)[C@H](c1ccccc1Cl)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000820032133 606321215 /nfs/dbraw/zinc/32/12/15/606321215.db2.gz LLEZAPDBGYVTMQ-OAHLLOKOSA-N -1 3 358.833 3.318 20 0 FGADHM CC(C)[C@H](c1ccccc1Cl)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000820032133 606321216 /nfs/dbraw/zinc/32/12/16/606321216.db2.gz LLEZAPDBGYVTMQ-OAHLLOKOSA-N -1 3 358.833 3.318 20 0 FGADHM C[C@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)NCCC1=CCCCC1 ZINC000820555840 606323519 /nfs/dbraw/zinc/32/35/19/606323519.db2.gz QBAYYSRBKLESOT-ZDUSSCGKSA-N -1 3 357.483 3.354 20 0 FGADHM C[C@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)NCCC1=CCCCC1 ZINC000820555840 606323522 /nfs/dbraw/zinc/32/35/22/606323522.db2.gz QBAYYSRBKLESOT-ZDUSSCGKSA-N -1 3 357.483 3.354 20 0 FGADHM CCc1ccc([C@H]2CCCCCN2C(=O)c2cc(-c3nnn[n-]3)c[nH]2)o1 ZINC000821480223 606324089 /nfs/dbraw/zinc/32/40/89/606324089.db2.gz ADLUJQHEZYQZTP-OAHLLOKOSA-N -1 3 354.414 3.108 20 0 FGADHM CCc1ccc([C@H]2CCCCCN2C(=O)c2cc(-c3nn[n-]n3)c[nH]2)o1 ZINC000821480223 606324091 /nfs/dbraw/zinc/32/40/91/606324091.db2.gz ADLUJQHEZYQZTP-OAHLLOKOSA-N -1 3 354.414 3.108 20 0 FGADHM CCC(CC)N(CC(C)C)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000820897407 606330732 /nfs/dbraw/zinc/33/07/32/606330732.db2.gz DELWFHUPDAHVQM-UHFFFAOYSA-N -1 3 362.453 3.362 20 0 FGADHM CCC(CC)N(CC(C)C)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000820897407 606330733 /nfs/dbraw/zinc/33/07/33/606330733.db2.gz DELWFHUPDAHVQM-UHFFFAOYSA-N -1 3 362.453 3.362 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1CNCc1cnc(-c2cccs2)s1 ZINC000822743863 606338107 /nfs/dbraw/zinc/33/81/07/606338107.db2.gz HBIYDTWWOJPIQG-UHFFFAOYSA-N -1 3 372.454 3.481 20 0 FGADHM C[C@H](OC(=O)C(F)(F)c1ccc(F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820489031 606338746 /nfs/dbraw/zinc/33/87/46/606338746.db2.gz YIPMPNVMRZVMMW-JTQLQIEISA-N -1 3 362.311 3.402 20 0 FGADHM C[C@H](OC(=O)C(F)(F)c1ccc(F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820489031 606338747 /nfs/dbraw/zinc/33/87/47/606338747.db2.gz YIPMPNVMRZVMMW-JTQLQIEISA-N -1 3 362.311 3.402 20 0 FGADHM COc1cc(CC(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)ccc1C ZINC000821712779 606343314 /nfs/dbraw/zinc/34/33/14/606343314.db2.gz MCCWVNVCWKEYGA-ZDUSSCGKSA-N -1 3 352.394 3.031 20 0 FGADHM COc1cc(CC(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)ccc1C ZINC000821712779 606343316 /nfs/dbraw/zinc/34/33/16/606343316.db2.gz MCCWVNVCWKEYGA-ZDUSSCGKSA-N -1 3 352.394 3.031 20 0 FGADHM Cc1cc2c(cc1C)O[C@@H](C(=O)O[C@H](C)c1ccc(-c3nnn[n-]3)cc1)C2 ZINC000822213067 606343686 /nfs/dbraw/zinc/34/36/86/606343686.db2.gz SLHNKKHQBRLTGA-FZKQIMNGSA-N -1 3 364.405 3.091 20 0 FGADHM Cc1cc2c(cc1C)O[C@@H](C(=O)O[C@H](C)c1ccc(-c3nn[n-]n3)cc1)C2 ZINC000822213067 606343688 /nfs/dbraw/zinc/34/36/88/606343688.db2.gz SLHNKKHQBRLTGA-FZKQIMNGSA-N -1 3 364.405 3.091 20 0 FGADHM CCCOc1ccc(CNC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000821134263 606345773 /nfs/dbraw/zinc/34/57/73/606345773.db2.gz QWIVYKQHKJMEHY-UHFFFAOYSA-N -1 3 370.388 3.116 20 0 FGADHM CCCOc1ccc(CNC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000821134263 606345775 /nfs/dbraw/zinc/34/57/75/606345775.db2.gz QWIVYKQHKJMEHY-UHFFFAOYSA-N -1 3 370.388 3.116 20 0 FGADHM Cc1cccc2c1CC[C@@H]2NC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000822341075 606347598 /nfs/dbraw/zinc/34/75/98/606347598.db2.gz UBPLXNYHXYCBEF-HNNXBMFYSA-N -1 3 352.373 3.123 20 0 FGADHM Cc1cccc2c1CC[C@@H]2NC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000822341075 606347601 /nfs/dbraw/zinc/34/76/01/606347601.db2.gz UBPLXNYHXYCBEF-HNNXBMFYSA-N -1 3 352.373 3.123 20 0 FGADHM C[C@@H](OC(=O)c1ccc(OC(F)F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820511865 606349244 /nfs/dbraw/zinc/34/92/44/606349244.db2.gz DOOKDBAZOLWFLQ-SNVBAGLBSA-N -1 3 360.320 3.386 20 0 FGADHM C[C@@H](OC(=O)c1ccc(OC(F)F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820511865 606349245 /nfs/dbraw/zinc/34/92/45/606349245.db2.gz DOOKDBAZOLWFLQ-SNVBAGLBSA-N -1 3 360.320 3.386 20 0 FGADHM Cc1c(C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)oc2c1C(=O)CCC2 ZINC000822021377 606350259 /nfs/dbraw/zinc/35/02/59/606350259.db2.gz YXTOCSSLQRBSME-NSHDSACASA-N -1 3 366.377 3.205 20 0 FGADHM Cc1c(C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)oc2c1C(=O)CCC2 ZINC000822021377 606350260 /nfs/dbraw/zinc/35/02/60/606350260.db2.gz YXTOCSSLQRBSME-NSHDSACASA-N -1 3 366.377 3.205 20 0 FGADHM C[C@@H](OC(=O)CCc1cccc(F)c1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000820498143 606352724 /nfs/dbraw/zinc/35/27/24/606352724.db2.gz YQQVWLZJQDGAGV-LLVKDONJSA-N -1 3 358.348 3.382 20 0 FGADHM C[C@@H](OC(=O)CCc1cccc(F)c1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000820498143 606352726 /nfs/dbraw/zinc/35/27/26/606352726.db2.gz YQQVWLZJQDGAGV-LLVKDONJSA-N -1 3 358.348 3.382 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)N1CC[C@@H](Cc2ccccc2)C1 ZINC000823344044 606356942 /nfs/dbraw/zinc/35/69/42/606356942.db2.gz OSJAHGHUWLYOCB-AWEZNQCLSA-N -1 3 366.400 3.102 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)N1CC[C@@H](Cc2ccccc2)C1 ZINC000823344044 606356944 /nfs/dbraw/zinc/35/69/44/606356944.db2.gz OSJAHGHUWLYOCB-AWEZNQCLSA-N -1 3 366.400 3.102 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)N[C@@H]1CCCOc2ccccc21 ZINC000823343943 606358140 /nfs/dbraw/zinc/35/81/40/606358140.db2.gz LTLHCQKMFMFBKT-CQSZACIVSA-N -1 3 368.372 3.041 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)N[C@@H]1CCCOc2ccccc21 ZINC000823343943 606358142 /nfs/dbraw/zinc/35/81/42/606358142.db2.gz LTLHCQKMFMFBKT-CQSZACIVSA-N -1 3 368.372 3.041 20 0 FGADHM C[C@@H]1c2ccc(F)cc2CCN1C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820827685 606358621 /nfs/dbraw/zinc/35/86/21/606358621.db2.gz VUJWEMKIBKUCFV-SNVBAGLBSA-N -1 3 370.363 3.296 20 0 FGADHM C[C@@H]1c2ccc(F)cc2CCN1C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820827685 606358623 /nfs/dbraw/zinc/35/86/23/606358623.db2.gz VUJWEMKIBKUCFV-SNVBAGLBSA-N -1 3 370.363 3.296 20 0 FGADHM C[C@@H](NC(=O)Nc1ccc(F)cc1-c1nnn[n-]1)[C@@H](C)c1ccccc1 ZINC000820379754 606359121 /nfs/dbraw/zinc/35/91/21/606359121.db2.gz GJRSUJSFMDKPTI-VXGBXAGGSA-N -1 3 354.389 3.320 20 0 FGADHM C[C@@H](NC(=O)Nc1ccc(F)cc1-c1nn[n-]n1)[C@@H](C)c1ccccc1 ZINC000820379754 606359122 /nfs/dbraw/zinc/35/91/22/606359122.db2.gz GJRSUJSFMDKPTI-VXGBXAGGSA-N -1 3 354.389 3.320 20 0 FGADHM CC[C@@H](C(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)c1c(C)noc1C ZINC000820842152 606359888 /nfs/dbraw/zinc/35/98/88/606359888.db2.gz KLTFEHOILYMDTC-XHDPSFHLSA-N -1 3 355.398 3.270 20 0 FGADHM CC[C@@H](C(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)c1c(C)noc1C ZINC000820842152 606359889 /nfs/dbraw/zinc/35/98/89/606359889.db2.gz KLTFEHOILYMDTC-XHDPSFHLSA-N -1 3 355.398 3.270 20 0 FGADHM O=C(Nc1ccccc1-c1nnn[n-]1)c1cc(Cl)ccc1OC(F)F ZINC000823368421 606373162 /nfs/dbraw/zinc/37/31/62/606373162.db2.gz XJVRYXJLVHFGSL-UHFFFAOYSA-N -1 3 365.727 3.374 20 0 FGADHM O=C(Nc1ccccc1-c1nn[n-]n1)c1cc(Cl)ccc1OC(F)F ZINC000823368421 606373163 /nfs/dbraw/zinc/37/31/63/606373163.db2.gz XJVRYXJLVHFGSL-UHFFFAOYSA-N -1 3 365.727 3.374 20 0 FGADHM C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000820650234 606383935 /nfs/dbraw/zinc/38/39/35/606383935.db2.gz SEPPFPQVIOULKN-ABAIWWIYSA-N -1 3 360.437 3.020 20 0 FGADHM C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000820650234 606383937 /nfs/dbraw/zinc/38/39/37/606383937.db2.gz SEPPFPQVIOULKN-ABAIWWIYSA-N -1 3 360.437 3.020 20 0 FGADHM CCS[C@@H]1CCC[C@@H](NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000821455826 606384765 /nfs/dbraw/zinc/38/47/65/606384765.db2.gz LYGROZKFMLPWCC-APHBMKBZSA-N -1 3 374.514 3.291 20 0 FGADHM CCS[C@@H]1CCC[C@@H](NC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000821455826 606384766 /nfs/dbraw/zinc/38/47/66/606384766.db2.gz LYGROZKFMLPWCC-APHBMKBZSA-N -1 3 374.514 3.291 20 0 FGADHM CCCCO[C@H]1C[C@@H](NC(=S)Nc2ccccc2-c2nnn[n-]2)C1(C)C ZINC000821072967 606392306 /nfs/dbraw/zinc/39/23/06/606392306.db2.gz XDVMXZPSJBWLHU-CABCVRRESA-N -1 3 374.514 3.137 20 0 FGADHM CCCCO[C@H]1C[C@@H](NC(=S)Nc2ccccc2-c2nn[n-]n2)C1(C)C ZINC000821072967 606392307 /nfs/dbraw/zinc/39/23/07/606392307.db2.gz XDVMXZPSJBWLHU-CABCVRRESA-N -1 3 374.514 3.137 20 0 FGADHM COc1ccccc1C[C@H]1CCCN1c1ccc(F)cc1-c1nnn[n-]1 ZINC000821889376 606401133 /nfs/dbraw/zinc/40/11/33/606401133.db2.gz AEHROCIXNVUBBV-OAHLLOKOSA-N -1 3 353.401 3.226 20 0 FGADHM COc1ccccc1C[C@H]1CCCN1c1ccc(F)cc1-c1nn[n-]n1 ZINC000821889376 606401135 /nfs/dbraw/zinc/40/11/35/606401135.db2.gz AEHROCIXNVUBBV-OAHLLOKOSA-N -1 3 353.401 3.226 20 0 FGADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)O[C@@H](c1ccccc1)C1CCCC1 ZINC000822655089 606409538 /nfs/dbraw/zinc/40/95/38/606409538.db2.gz CHWQOFULDXKGTG-KRWDZBQOSA-N -1 3 351.410 3.294 20 0 FGADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)O[C@@H](c1ccccc1)C1CCCC1 ZINC000822655089 606409540 /nfs/dbraw/zinc/40/95/40/606409540.db2.gz CHWQOFULDXKGTG-KRWDZBQOSA-N -1 3 351.410 3.294 20 0 FGADHM Cc1cc(C)c(-c2nnn[n-]2)c(N2CCC(c3cccc(F)c3)CC2)n1 ZINC000822192124 606426391 /nfs/dbraw/zinc/42/63/91/606426391.db2.gz ZRZJOOZMMWEIKD-UHFFFAOYSA-N -1 3 352.417 3.402 20 0 FGADHM Cc1cc(C)c(-c2nn[n-]n2)c(N2CCC(c3cccc(F)c3)CC2)n1 ZINC000822192124 606426393 /nfs/dbraw/zinc/42/63/93/606426393.db2.gz ZRZJOOZMMWEIKD-UHFFFAOYSA-N -1 3 352.417 3.402 20 0 FGADHM C[C@H]1CN(C(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)C[C@H]1C ZINC000820743023 606433422 /nfs/dbraw/zinc/43/34/22/606433422.db2.gz PKGKOSBKXVHBHM-OKILXGFUSA-N -1 3 363.421 3.387 20 0 FGADHM C[C@H]1CN(C(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)C[C@H]1C ZINC000820743023 606433424 /nfs/dbraw/zinc/43/34/24/606433424.db2.gz PKGKOSBKXVHBHM-OKILXGFUSA-N -1 3 363.421 3.387 20 0 FGADHM Cc1cc([C@H](C)NC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)ccc1F ZINC000822191985 606442590 /nfs/dbraw/zinc/44/25/90/606442590.db2.gz WFORUUVJVSSZNV-OLZOCXBDSA-N -1 3 368.416 3.436 20 0 FGADHM Cc1cc([C@H](C)NC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)ccc1F ZINC000822191985 606442591 /nfs/dbraw/zinc/44/25/91/606442591.db2.gz WFORUUVJVSSZNV-OLZOCXBDSA-N -1 3 368.416 3.436 20 0 FGADHM Cc1cc(C)c(CNc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)c(=O)[nH]1 ZINC000822194484 606443864 /nfs/dbraw/zinc/44/38/64/606443864.db2.gz ZOAKWGVNXOCPFP-UHFFFAOYSA-N -1 3 364.331 3.215 20 0 FGADHM FC(F)(F)[C@H]1CCC[C@H](Nc2c(-c3nnn[n-]3)cnc3ccccc32)C1 ZINC000822714637 606447021 /nfs/dbraw/zinc/44/70/21/606447021.db2.gz QQEDAYCHPPSXIW-QWRGUYRKSA-N -1 3 362.359 3.370 20 0 FGADHM FC(F)(F)[C@H]1CCC[C@H](Nc2c(-c3nn[n-]n3)cnc3ccccc32)C1 ZINC000822714637 606447023 /nfs/dbraw/zinc/44/70/23/606447023.db2.gz QQEDAYCHPPSXIW-QWRGUYRKSA-N -1 3 362.359 3.370 20 0 FGADHM O[C@H](CNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccccc1F ZINC000823690896 606451373 /nfs/dbraw/zinc/45/13/73/606451373.db2.gz XJKNYPDKPDZSMR-CQSZACIVSA-N -1 3 367.306 3.170 20 0 FGADHM O[C@H](CNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccccc1F ZINC000823690896 606451375 /nfs/dbraw/zinc/45/13/75/606451375.db2.gz XJKNYPDKPDZSMR-CQSZACIVSA-N -1 3 367.306 3.170 20 0 FGADHM O[C@H](CNc1ccc(-c2nn[n-]n2)cc1C(F)(F)F)c1ccccc1F ZINC000823690748 606452602 /nfs/dbraw/zinc/45/26/02/606452602.db2.gz SUFIIDJNWBKDHO-CQSZACIVSA-N -1 3 367.306 3.170 20 0 FGADHM O=C(Oc1ccc(Oc2nccs2)cc1)c1cc(-c2nnn[n-]2)cs1 ZINC000823454356 606471137 /nfs/dbraw/zinc/47/11/37/606471137.db2.gz OEGLYWLFXKYFAL-UHFFFAOYSA-N -1 3 371.403 3.396 20 0 FGADHM O=C(Oc1ccc(Oc2nccs2)cc1)c1cc(-c2nn[n-]n2)cs1 ZINC000823454356 606471139 /nfs/dbraw/zinc/47/11/39/606471139.db2.gz OEGLYWLFXKYFAL-UHFFFAOYSA-N -1 3 371.403 3.396 20 0 FGADHM O=C(Nc1sccc1-c1nnn[n-]1)c1ccc2ccc(Cl)cc2n1 ZINC000823387704 606479303 /nfs/dbraw/zinc/47/93/03/606479303.db2.gz VFQOUTITWWNFQG-UHFFFAOYSA-N -1 3 356.798 3.382 20 0 FGADHM O=C(Nc1sccc1-c1nn[n-]n1)c1ccc2ccc(Cl)cc2n1 ZINC000823387704 606479305 /nfs/dbraw/zinc/47/93/05/606479305.db2.gz VFQOUTITWWNFQG-UHFFFAOYSA-N -1 3 356.798 3.382 20 0 FGADHM CN(Cc1ccc(C(C)(C)C)cc1)C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000821609815 606479859 /nfs/dbraw/zinc/47/98/59/606479859.db2.gz MZNJXALXPVYEGP-UHFFFAOYSA-N -1 3 355.467 3.498 20 0 FGADHM CN(Cc1ccc(C(C)(C)C)cc1)C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000821609815 606479861 /nfs/dbraw/zinc/47/98/61/606479861.db2.gz MZNJXALXPVYEGP-UHFFFAOYSA-N -1 3 355.467 3.498 20 0 FGADHM Cc1cccc(-c2c[nH]c([C@H]3CCCN3c3ccc(-c4nnn[n-]4)cn3)n2)c1 ZINC000822284342 606480987 /nfs/dbraw/zinc/48/09/87/606480987.db2.gz PIPQYISAACLKBW-QGZVFWFLSA-N -1 3 372.436 3.302 20 0 FGADHM Cc1cccc(-c2c[nH]c([C@H]3CCCN3c3ccc(-c4nn[n-]n4)cn3)n2)c1 ZINC000822284342 606480989 /nfs/dbraw/zinc/48/09/89/606480989.db2.gz PIPQYISAACLKBW-QGZVFWFLSA-N -1 3 372.436 3.302 20 0 FGADHM COc1ccc2c(c1)CCC[C@@H]2N(C)C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000821850208 606492326 /nfs/dbraw/zinc/49/23/26/606492326.db2.gz ZDBYKFBJYNLDLR-HNNXBMFYSA-N -1 3 369.450 3.086 20 0 FGADHM COc1ccc2c(c1)CCC[C@@H]2N(C)C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000821850208 606492328 /nfs/dbraw/zinc/49/23/28/606492328.db2.gz ZDBYKFBJYNLDLR-HNNXBMFYSA-N -1 3 369.450 3.086 20 0 FGADHM Cc1ccc(NC(=O)C(C)C)cc1NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000822242846 606494867 /nfs/dbraw/zinc/49/48/67/606494867.db2.gz ZXPPKDQHWSAYPC-UHFFFAOYSA-N -1 3 370.438 3.083 20 0 FGADHM Cc1ccc(NC(=O)C(C)C)cc1NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000822242846 606494870 /nfs/dbraw/zinc/49/48/70/606494870.db2.gz ZXPPKDQHWSAYPC-UHFFFAOYSA-N -1 3 370.438 3.083 20 0 FGADHM O=C(Nc1cccc(Cl)c1-n1cccn1)c1cc(-c2nnn[n-]2)cs1 ZINC000823363576 606496154 /nfs/dbraw/zinc/49/61/54/606496154.db2.gz GSNHEDYTTPBIEH-UHFFFAOYSA-N -1 3 371.813 3.020 20 0 FGADHM O=C(Nc1cccc(Cl)c1-n1cccn1)c1cc(-c2nn[n-]n2)cs1 ZINC000823363576 606496156 /nfs/dbraw/zinc/49/61/56/606496156.db2.gz GSNHEDYTTPBIEH-UHFFFAOYSA-N -1 3 371.813 3.020 20 0 FGADHM CC[C@@](C)(NCc1ccc(-c2nnn[n-]2)cc1OC(F)F)C(F)(F)F ZINC000820853052 606502273 /nfs/dbraw/zinc/50/22/73/606502273.db2.gz JZCBVUUAVSPTQE-CYBMUJFWSA-N -1 3 365.306 3.289 20 0 FGADHM CC[C@@](C)(NCc1ccc(-c2nn[n-]n2)cc1OC(F)F)C(F)(F)F ZINC000820853052 606502274 /nfs/dbraw/zinc/50/22/74/606502274.db2.gz JZCBVUUAVSPTQE-CYBMUJFWSA-N -1 3 365.306 3.289 20 0 FGADHM C[C@H](c1cccc(Cl)c1)N(C)C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820564068 606504715 /nfs/dbraw/zinc/50/47/15/606504715.db2.gz XZWYTKUNYPRTJM-GFCCVEGCSA-N -1 3 355.829 3.282 20 0 FGADHM C[C@H](c1cccc(Cl)c1)N(C)C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820564068 606504717 /nfs/dbraw/zinc/50/47/17/606504717.db2.gz XZWYTKUNYPRTJM-GFCCVEGCSA-N -1 3 355.829 3.282 20 0 FGADHM Cc1c2ccccc2oc1[C@H](C)NC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000822021081 606513570 /nfs/dbraw/zinc/51/35/70/606513570.db2.gz UUILGOBQIOXZQV-ZDUSSCGKSA-N -1 3 361.405 3.341 20 0 FGADHM Cc1c2ccccc2oc1[C@H](C)NC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000822021081 606513571 /nfs/dbraw/zinc/51/35/71/606513571.db2.gz UUILGOBQIOXZQV-ZDUSSCGKSA-N -1 3 361.405 3.341 20 0 FGADHM Cc1ccc(C(C)(C)CN(C)C(=O)c2cc(-c3nnn[n-]3)cs2)cc1 ZINC000822227427 606519759 /nfs/dbraw/zinc/51/97/59/606519759.db2.gz IIKXTBBJJORCLT-UHFFFAOYSA-N -1 3 355.467 3.286 20 0 FGADHM Cc1ccc(C(C)(C)CN(C)C(=O)c2cc(-c3nn[n-]n3)cs2)cc1 ZINC000822227427 606519761 /nfs/dbraw/zinc/51/97/61/606519761.db2.gz IIKXTBBJJORCLT-UHFFFAOYSA-N -1 3 355.467 3.286 20 0 FGADHM C[C@H](C(=O)NCCSCc1ccccc1-c1nnn[n-]1)C1CCCC1 ZINC000819857871 606520128 /nfs/dbraw/zinc/52/01/28/606520128.db2.gz WHVRXDHHDVFHBF-ZDUSSCGKSA-N -1 3 359.499 3.042 20 0 FGADHM C[C@H](C(=O)NCCSCc1ccccc1-c1nn[n-]n1)C1CCCC1 ZINC000819857871 606520129 /nfs/dbraw/zinc/52/01/29/606520129.db2.gz WHVRXDHHDVFHBF-ZDUSSCGKSA-N -1 3 359.499 3.042 20 0 FGADHM C[C@@H](NC(=O)N[C@@H](C)c1ccc(F)cc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000820351677 606529076 /nfs/dbraw/zinc/52/90/76/606529076.db2.gz QULDXGMKZXSKQY-MNOVXSKESA-N -1 3 372.379 3.266 20 0 FGADHM C[C@@H](NC(=O)N[C@@H](C)c1ccc(F)cc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000820351677 606529077 /nfs/dbraw/zinc/52/90/77/606529077.db2.gz QULDXGMKZXSKQY-MNOVXSKESA-N -1 3 372.379 3.266 20 0 FGADHM CC[C@H](Oc1ccccc1C)C(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000820939318 606539403 /nfs/dbraw/zinc/53/94/03/606539403.db2.gz SYTNPORVLLAJIY-INIZCTEOSA-N -1 3 351.410 3.280 20 0 FGADHM CC[C@H](Oc1ccccc1C)C(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000820939318 606539405 /nfs/dbraw/zinc/53/94/05/606539405.db2.gz SYTNPORVLLAJIY-INIZCTEOSA-N -1 3 351.410 3.280 20 0 FGADHM Cc1ccccc1C[C@H]1CCCN1C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000822356005 606542955 /nfs/dbraw/zinc/54/29/55/606542955.db2.gz FZDZIQSCCBITOS-OAHLLOKOSA-N -1 3 353.451 3.084 20 0 FGADHM Cc1ccccc1C[C@H]1CCCN1C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000822356005 606542957 /nfs/dbraw/zinc/54/29/57/606542957.db2.gz FZDZIQSCCBITOS-OAHLLOKOSA-N -1 3 353.451 3.084 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)c1ccc2ccc(Cl)cc2n1 ZINC000823346400 606546515 /nfs/dbraw/zinc/54/65/15/606546515.db2.gz NAISYVNOBSHLPH-UHFFFAOYSA-N -1 3 368.759 3.460 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)c1ccc2ccc(Cl)cc2n1 ZINC000823346400 606546516 /nfs/dbraw/zinc/54/65/16/606546516.db2.gz NAISYVNOBSHLPH-UHFFFAOYSA-N -1 3 368.759 3.460 20 0 FGADHM O=C(OCc1ncc(-c2cccs2)o1)c1cc(-c2nnn[n-]2)cs1 ZINC000823440080 606563486 /nfs/dbraw/zinc/56/34/86/606563486.db2.gz BGXOSQPLWBWYKZ-UHFFFAOYSA-N -1 3 359.392 3.002 20 0 FGADHM O=C(OCc1ncc(-c2cccs2)o1)c1cc(-c2nn[n-]n2)cs1 ZINC000823440080 606563487 /nfs/dbraw/zinc/56/34/87/606563487.db2.gz BGXOSQPLWBWYKZ-UHFFFAOYSA-N -1 3 359.392 3.002 20 0 FGADHM CC(C)(C)Oc1ccccc1NC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000819951296 606564417 /nfs/dbraw/zinc/56/44/17/606564417.db2.gz RFXRMAOJNVKUCA-UHFFFAOYSA-N -1 3 351.410 3.225 20 0 FGADHM CC(C)(C)Oc1ccccc1NC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000819951296 606564418 /nfs/dbraw/zinc/56/44/18/606564418.db2.gz RFXRMAOJNVKUCA-UHFFFAOYSA-N -1 3 351.410 3.225 20 0 FGADHM O=C(OCc1ccc(Cl)c2cccnc12)c1cc(-c2nnn[n-]2)cs1 ZINC000823421917 606566537 /nfs/dbraw/zinc/56/65/37/606566537.db2.gz KAUBGIAJWHQDOJ-UHFFFAOYSA-N -1 3 371.809 3.487 20 0 FGADHM O=C(OCc1ccc(Cl)c2cccnc12)c1cc(-c2nn[n-]n2)cs1 ZINC000823421917 606566538 /nfs/dbraw/zinc/56/65/38/606566538.db2.gz KAUBGIAJWHQDOJ-UHFFFAOYSA-N -1 3 371.809 3.487 20 0 FGADHM Cc1ccc(-c2cc(COC(=O)c3cc(-c4nnn[n-]4)cs3)on2)cc1 ZINC000822213913 606568914 /nfs/dbraw/zinc/56/89/14/606568914.db2.gz GRTINWCDCAEUAH-UHFFFAOYSA-N -1 3 367.390 3.249 20 0 FGADHM Cc1ccc(-c2cc(COC(=O)c3cc(-c4nn[n-]n4)cs3)on2)cc1 ZINC000822213913 606568915 /nfs/dbraw/zinc/56/89/15/606568915.db2.gz GRTINWCDCAEUAH-UHFFFAOYSA-N -1 3 367.390 3.249 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CC(Cc2ccccc2)C1 ZINC000823303278 606571060 /nfs/dbraw/zinc/57/10/60/606571060.db2.gz FPDUGIHDKKWQBX-UHFFFAOYSA-N -1 3 368.828 3.227 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CC(Cc2ccccc2)C1 ZINC000823303278 606571062 /nfs/dbraw/zinc/57/10/62/606571062.db2.gz FPDUGIHDKKWQBX-UHFFFAOYSA-N -1 3 368.828 3.227 20 0 FGADHM C[C@H](N(C)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)C1(C)CC1 ZINC000820306967 606575200 /nfs/dbraw/zinc/57/52/00/606575200.db2.gz HTJKBCGOKKRTTQ-VIFPVBQESA-N -1 3 366.372 3.120 20 0 FGADHM C[C@H](N(C)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)C1(C)CC1 ZINC000820306967 606575202 /nfs/dbraw/zinc/57/52/02/606575202.db2.gz HTJKBCGOKKRTTQ-VIFPVBQESA-N -1 3 366.372 3.120 20 0 FGADHM C[C@@H](NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(F)cc1F ZINC000736114989 606575368 /nfs/dbraw/zinc/57/53/68/606575368.db2.gz FYLPPEXXUYKJBK-MRVPVSSYSA-N -1 3 362.315 3.167 20 0 FGADHM C[C@@H](NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(F)cc1F ZINC000736114989 606575370 /nfs/dbraw/zinc/57/53/70/606575370.db2.gz FYLPPEXXUYKJBK-MRVPVSSYSA-N -1 3 362.315 3.167 20 0 FGADHM CCC[C@H]1C[C@H]1NC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000821035000 606577474 /nfs/dbraw/zinc/57/74/74/606577474.db2.gz YGEGBWIMADGUOR-QPUJVOFHSA-N -1 3 354.336 3.196 20 0 FGADHM CCC[C@H]1C[C@H]1NC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821035000 606577475 /nfs/dbraw/zinc/57/74/75/606577475.db2.gz YGEGBWIMADGUOR-QPUJVOFHSA-N -1 3 354.336 3.196 20 0 FGADHM CC(C)[C@H]1CN(C(=O)c2cc(-c3nnn[n-]3)cs2)c2ccccc2N1 ZINC000820047384 606584755 /nfs/dbraw/zinc/58/47/55/606584755.db2.gz YGTXOXIGHCFXEP-CYBMUJFWSA-N -1 3 354.439 3.025 20 0 FGADHM CC(C)[C@H]1CN(C(=O)c2cc(-c3nn[n-]n3)cs2)c2ccccc2N1 ZINC000820047384 606584756 /nfs/dbraw/zinc/58/47/56/606584756.db2.gz YGTXOXIGHCFXEP-CYBMUJFWSA-N -1 3 354.439 3.025 20 0 FGADHM CC(C(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1)=C1CCCC1 ZINC000819855853 606619727 /nfs/dbraw/zinc/61/97/27/606619727.db2.gz GBLGHXYKIFEMDM-UHFFFAOYSA-N -1 3 367.453 3.127 20 0 FGADHM O=C(Nc1cccc(CCC(F)(F)F)c1)c1ccc(-c2nnn[n-]2)cn1 ZINC000823363881 606623609 /nfs/dbraw/zinc/62/36/09/606623609.db2.gz PZNZSVOJHFIDJL-UHFFFAOYSA-N -1 3 362.315 3.009 20 0 FGADHM O=C(Nc1cccc(CCC(F)(F)F)c1)c1ccc(-c2nn[n-]n2)cn1 ZINC000823363881 606623611 /nfs/dbraw/zinc/62/36/11/606623611.db2.gz PZNZSVOJHFIDJL-UHFFFAOYSA-N -1 3 362.315 3.009 20 0 FGADHM CC[C@@H](C)Oc1ccc(C(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000820875980 606626357 /nfs/dbraw/zinc/62/63/57/606626357.db2.gz JNKGWNCPYQQOSO-CQSZACIVSA-N -1 3 365.437 3.316 20 0 FGADHM CC[C@@H](C)Oc1ccc(C(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000820875980 606626359 /nfs/dbraw/zinc/62/63/59/606626359.db2.gz JNKGWNCPYQQOSO-CQSZACIVSA-N -1 3 365.437 3.316 20 0 FGADHM CCS[C@H]1CCCC[C@H]1NC(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000821457707 606626870 /nfs/dbraw/zinc/62/68/70/606626870.db2.gz ZRXJQECWNYBQOG-KGLIPLIRSA-N -1 3 362.528 3.217 20 0 FGADHM CCS[C@H]1CCCC[C@H]1NC(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000821457707 606626873 /nfs/dbraw/zinc/62/68/73/606626873.db2.gz ZRXJQECWNYBQOG-KGLIPLIRSA-N -1 3 362.528 3.217 20 0 FGADHM Cc1cc(Oc2ncccc2-c2nnn[n-]2)ccc1NC(=O)C1(C)CCC1 ZINC000822211894 606626952 /nfs/dbraw/zinc/62/69/52/606626952.db2.gz SGIBSQZVVFWJBX-UHFFFAOYSA-N -1 3 364.409 3.491 20 0 FGADHM CCO[C@@H](C)c1noc(CSc2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000821351911 606630434 /nfs/dbraw/zinc/63/04/34/606630434.db2.gz XCQXIQYSMHIGBG-QMMMGPOBSA-N -1 3 366.834 3.293 20 0 FGADHM CCO[C@@H](C)c1noc(CSc2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000821351911 606630435 /nfs/dbraw/zinc/63/04/35/606630435.db2.gz XCQXIQYSMHIGBG-QMMMGPOBSA-N -1 3 366.834 3.293 20 0 FGADHM CCc1c(C)sc(NC(=O)c2sc(Cl)nc2C)c1-c1nnn[n-]1 ZINC000821466443 606645475 /nfs/dbraw/zinc/64/54/75/606645475.db2.gz WUTWLLDOARMGLE-UHFFFAOYSA-N -1 3 368.875 3.470 20 0 FGADHM CCc1c(C)sc(NC(=O)c2sc(Cl)nc2C)c1-c1nn[n-]n1 ZINC000821466443 606645476 /nfs/dbraw/zinc/64/54/76/606645476.db2.gz WUTWLLDOARMGLE-UHFFFAOYSA-N -1 3 368.875 3.470 20 0 FGADHM C[C@@]1(C(=O)Oc2ccc(-c3ccc(-c4nnn[n-]4)cc3)cc2)CCCO1 ZINC000820576986 606662634 /nfs/dbraw/zinc/66/26/34/606662634.db2.gz FXLIZXUZGPDRNO-IBGZPJMESA-N -1 3 350.378 3.008 20 0 FGADHM C[C@@]1(C(=O)Oc2ccc(-c3ccc(-c4nn[n-]n4)cc3)cc2)CCCO1 ZINC000820576986 606662635 /nfs/dbraw/zinc/66/26/35/606662635.db2.gz FXLIZXUZGPDRNO-IBGZPJMESA-N -1 3 350.378 3.008 20 0 FGADHM O=C(Oc1ccc(Cl)cc1F)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823455061 606666653 /nfs/dbraw/zinc/66/66/53/606666653.db2.gz WCXNJFOZSOXCEX-UHFFFAOYSA-N -1 3 354.675 3.157 20 0 FGADHM O=C(Oc1ccc(Cl)cc1F)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823455061 606666654 /nfs/dbraw/zinc/66/66/54/606666654.db2.gz WCXNJFOZSOXCEX-UHFFFAOYSA-N -1 3 354.675 3.157 20 0 FGADHM Cc1ccc([C@H](NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)C2CC2)cc1 ZINC000822230470 606668982 /nfs/dbraw/zinc/66/89/82/606668982.db2.gz HPHBYMOOSPADNA-KRWDZBQOSA-N -1 3 369.375 3.334 20 0 FGADHM Cc1ccc([C@H](NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C2CC2)cc1 ZINC000822230470 606668983 /nfs/dbraw/zinc/66/89/83/606668983.db2.gz HPHBYMOOSPADNA-KRWDZBQOSA-N -1 3 369.375 3.334 20 0 FGADHM C[C@@H]1CCN(C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)[C@H]2CCCC[C@H]12 ZINC000820715689 606671944 /nfs/dbraw/zinc/67/19/44/606671944.db2.gz CILXSMPONYGWRY-HCKVZZMMSA-N -1 3 361.396 3.186 20 0 FGADHM C[C@@H]1CCN(C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)[C@H]2CCCC[C@H]12 ZINC000820715689 606671945 /nfs/dbraw/zinc/67/19/45/606671945.db2.gz CILXSMPONYGWRY-HCKVZZMMSA-N -1 3 361.396 3.186 20 0 FGADHM C[C@]1(C(=O)Nc2sc(-c3ccccc3)cc2-c2nnn[n-]2)CCCO1 ZINC000820577844 606672356 /nfs/dbraw/zinc/67/23/56/606672356.db2.gz WGBHWNDDYOVRLE-QGZVFWFLSA-N -1 3 355.423 3.103 20 0 FGADHM C[C@]1(C(=O)Nc2sc(-c3ccccc3)cc2-c2nn[n-]n2)CCCO1 ZINC000820577844 606672357 /nfs/dbraw/zinc/67/23/57/606672357.db2.gz WGBHWNDDYOVRLE-QGZVFWFLSA-N -1 3 355.423 3.103 20 0 FGADHM C[C@@H](c1ccco1)N(C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)C1CC1 ZINC000820571435 606674309 /nfs/dbraw/zinc/67/43/09/606674309.db2.gz YKICWKSMSRYUDH-VIFPVBQESA-N -1 3 359.336 3.104 20 0 FGADHM C[C@@H](c1ccco1)N(C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)C1CC1 ZINC000820571435 606674310 /nfs/dbraw/zinc/67/43/10/606674310.db2.gz YKICWKSMSRYUDH-VIFPVBQESA-N -1 3 359.336 3.104 20 0 FGADHM C[C@H](NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)C(C)(C)c1ccccc1 ZINC000820384861 606676730 /nfs/dbraw/zinc/67/67/30/606676730.db2.gz MCPPTGPZQFJKTH-NSHDSACASA-N -1 3 371.391 3.241 20 0 FGADHM C[C@H](NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)C(C)(C)c1ccccc1 ZINC000820384861 606676731 /nfs/dbraw/zinc/67/67/31/606676731.db2.gz MCPPTGPZQFJKTH-NSHDSACASA-N -1 3 371.391 3.241 20 0 FGADHM O=C(c1c(F)cc(-c2nnn[n-]2)cc1F)N1CCCC[C@H]1c1ccco1 ZINC000823453894 606680358 /nfs/dbraw/zinc/68/03/58/606680358.db2.gz DNNNEXGKQSWAHH-ZDUSSCGKSA-N -1 3 359.336 3.105 20 0 FGADHM O=C(c1c(F)cc(-c2nn[n-]n2)cc1F)N1CCCC[C@H]1c1ccco1 ZINC000823453894 606680359 /nfs/dbraw/zinc/68/03/59/606680359.db2.gz DNNNEXGKQSWAHH-ZDUSSCGKSA-N -1 3 359.336 3.105 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N(C)C1CCC(C)(C)CC1 ZINC000821756045 606696354 /nfs/dbraw/zinc/69/63/54/606696354.db2.gz LVDKJOOBNLCAML-UHFFFAOYSA-N -1 3 358.446 3.308 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N(C)C1CCC(C)(C)CC1 ZINC000821756045 606696355 /nfs/dbraw/zinc/69/63/55/606696355.db2.gz LVDKJOOBNLCAML-UHFFFAOYSA-N -1 3 358.446 3.308 20 0 FGADHM Fc1ccc(NCc2nnc(-c3ccccc3Cl)o2)cc1-c1nnn[n-]1 ZINC000822782785 606703483 /nfs/dbraw/zinc/70/34/83/606703483.db2.gz GSRGAPKCRGLDPE-UHFFFAOYSA-N -1 3 371.763 3.321 20 0 FGADHM Fc1ccc(NCc2nnc(-c3ccccc3Cl)o2)cc1-c1nn[n-]n1 ZINC000822782785 606703484 /nfs/dbraw/zinc/70/34/84/606703484.db2.gz GSRGAPKCRGLDPE-UHFFFAOYSA-N -1 3 371.763 3.321 20 0 FGADHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1N[C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000822718185 606728018 /nfs/dbraw/zinc/72/80/18/606728018.db2.gz BVYPQDMIYHRFPY-MPKXVKKWSA-N -1 3 353.348 3.255 20 0 FGADHM C[C@H](OC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1ccc(F)cc1F ZINC000820502730 606747479 /nfs/dbraw/zinc/74/74/79/606747479.db2.gz VBTAOGSEHJYZBR-ZETCQYMHSA-N -1 3 366.274 3.341 20 0 FGADHM C[C@H](OC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccc(F)cc1F ZINC000820502730 606747480 /nfs/dbraw/zinc/74/74/80/606747480.db2.gz VBTAOGSEHJYZBR-ZETCQYMHSA-N -1 3 366.274 3.341 20 0 FGADHM Cc1nc(CC(C)C)c(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)s1 ZINC000822436245 606747985 /nfs/dbraw/zinc/74/79/85/606747985.db2.gz JSOQEJMXCPIWLF-HJWRWDBZSA-N -1 3 368.466 3.482 20 0 FGADHM Cc1nc(CC(C)C)c(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)s1 ZINC000822436245 606747986 /nfs/dbraw/zinc/74/79/86/606747986.db2.gz JSOQEJMXCPIWLF-HJWRWDBZSA-N -1 3 368.466 3.482 20 0 FGADHM CC(C)CC[C@@H]1CCCCN1C(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000820073874 606748584 /nfs/dbraw/zinc/74/85/84/606748584.db2.gz WMUJGAPDMQYBMI-INIZCTEOSA-N -1 3 357.458 3.063 20 0 FGADHM CC(C)CC[C@@H]1CCCCN1C(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000820073874 606748585 /nfs/dbraw/zinc/74/85/85/606748585.db2.gz WMUJGAPDMQYBMI-INIZCTEOSA-N -1 3 357.458 3.063 20 0 FGADHM CCC(CC)(CC)C(=O)OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000820881909 606765561 /nfs/dbraw/zinc/76/55/61/606765561.db2.gz FMSQITWWYMWVOB-UHFFFAOYSA-N -1 3 370.413 3.176 20 0 FGADHM CCC(CC)(CC)C(=O)OCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000820881909 606765563 /nfs/dbraw/zinc/76/55/63/606765563.db2.gz FMSQITWWYMWVOB-UHFFFAOYSA-N -1 3 370.413 3.176 20 0 FGADHM COc1ccc(COCCOc2cc(Cl)ccc2-c2nnn[n-]2)cc1 ZINC000821824879 606781024 /nfs/dbraw/zinc/78/10/24/606781024.db2.gz PKFKOHYMFQJDPC-UHFFFAOYSA-N -1 3 360.801 3.124 20 0 FGADHM COc1ccc(COCCOc2cc(Cl)ccc2-c2nn[n-]n2)cc1 ZINC000821824879 606781025 /nfs/dbraw/zinc/78/10/25/606781025.db2.gz PKFKOHYMFQJDPC-UHFFFAOYSA-N -1 3 360.801 3.124 20 0 FGADHM O=C(COc1cc(Cl)ccc1-c1nnn[n-]1)Nc1ccc(Cl)cc1 ZINC000823032407 606781784 /nfs/dbraw/zinc/78/17/84/606781784.db2.gz SNQPDIOQPREMDJ-UHFFFAOYSA-N -1 3 364.192 3.191 20 0 FGADHM O=C(COc1cc(Cl)ccc1-c1nn[n-]n1)Nc1ccc(Cl)cc1 ZINC000823032407 606781785 /nfs/dbraw/zinc/78/17/85/606781785.db2.gz SNQPDIOQPREMDJ-UHFFFAOYSA-N -1 3 364.192 3.191 20 0 FGADHM CCC1(C(=O)N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)CCCC1 ZINC000820944874 606790343 /nfs/dbraw/zinc/79/03/43/606790343.db2.gz PQCZHSWUHOFQBW-UHFFFAOYSA-N -1 3 369.469 3.207 20 0 FGADHM CC(C)c1cccc(C(=O)O[C@H](C)COc2cccc(-c3nnn[n-]3)c2)n1 ZINC000820292822 606800761 /nfs/dbraw/zinc/80/07/61/606800761.db2.gz HRXHGXYCENTLRR-CYBMUJFWSA-N -1 3 367.409 3.009 20 0 FGADHM CC(C)c1cccc(C(=O)O[C@H](C)COc2cccc(-c3nn[n-]n3)c2)n1 ZINC000820292822 606800763 /nfs/dbraw/zinc/80/07/63/606800763.db2.gz HRXHGXYCENTLRR-CYBMUJFWSA-N -1 3 367.409 3.009 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)c1cc(-c2ccc(F)cc2)on1 ZINC000823343789 606813380 /nfs/dbraw/zinc/81/33/80/606813380.db2.gz HHBBEIQZJJZYAD-UHFFFAOYSA-N -1 3 368.303 3.052 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)c1cc(-c2ccc(F)cc2)on1 ZINC000823343789 606813382 /nfs/dbraw/zinc/81/33/82/606813382.db2.gz HHBBEIQZJJZYAD-UHFFFAOYSA-N -1 3 368.303 3.052 20 0 FGADHM CCCC[C@@H](NC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1)C1CCC1 ZINC000821044269 606816625 /nfs/dbraw/zinc/81/66/25/606816625.db2.gz YKBOWTPDYORRCT-CXAGYDPISA-N -1 3 357.458 3.109 20 0 FGADHM Cc1ccsc1CNC(=O)CS[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000822378804 606829088 /nfs/dbraw/zinc/82/90/88/606829088.db2.gz DZESKHMEXLMDFX-LBPRGKRZSA-N -1 3 373.507 3.347 20 0 FGADHM Cc1ccsc1CNC(=O)CS[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000822378804 606829089 /nfs/dbraw/zinc/82/90/89/606829089.db2.gz DZESKHMEXLMDFX-LBPRGKRZSA-N -1 3 373.507 3.347 20 0 FGADHM O=Cc1ccc(OCCCOc2cccc(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000823557858 606838284 /nfs/dbraw/zinc/83/82/84/606838284.db2.gz SVRHCBPPQNZTNJ-UHFFFAOYSA-N -1 3 358.785 3.181 20 0 FGADHM O=Cc1ccc(OCCCOc2cccc(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000823557858 606838286 /nfs/dbraw/zinc/83/82/86/606838286.db2.gz SVRHCBPPQNZTNJ-UHFFFAOYSA-N -1 3 358.785 3.181 20 0 FGADHM CO[C@H](CNC(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccccc1Cl ZINC000821677034 606870671 /nfs/dbraw/zinc/87/06/71/606870671.db2.gz MZHTWHDSQJFQCQ-OAHLLOKOSA-N -1 3 372.816 3.029 20 0 FGADHM CO[C@H](CNC(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccccc1Cl ZINC000821677034 606870672 /nfs/dbraw/zinc/87/06/72/606870672.db2.gz MZHTWHDSQJFQCQ-OAHLLOKOSA-N -1 3 372.816 3.029 20 0 FGADHM Cc1cc(C)c(-c2nnn[n-]2)c(NC[C@H](O)c2cc3ccccc3s2)n1 ZINC000822192788 606878233 /nfs/dbraw/zinc/87/82/33/606878233.db2.gz ATJXNAOZYANLHL-ZDUSSCGKSA-N -1 3 366.450 3.239 20 0 FGADHM Cc1cc(C)c(-c2nn[n-]n2)c(NC[C@H](O)c2cc3ccccc3s2)n1 ZINC000822192788 606878235 /nfs/dbraw/zinc/87/82/35/606878235.db2.gz ATJXNAOZYANLHL-ZDUSSCGKSA-N -1 3 366.450 3.239 20 0 FGADHM c1cn(C2CCCC2)nc1CN(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000823743334 606890858 /nfs/dbraw/zinc/89/08/58/606890858.db2.gz YKJXWMIKFCGPKC-UHFFFAOYSA-N -1 3 363.469 3.343 20 0 FGADHM c1cn(C2CCCC2)nc1CN(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000823743334 606890860 /nfs/dbraw/zinc/89/08/60/606890860.db2.gz YKJXWMIKFCGPKC-UHFFFAOYSA-N -1 3 363.469 3.343 20 0 FGADHM Cc1cc(F)c(C(=O)OCc2cn3ccccc3c2-c2nnn[n-]2)cc1F ZINC000822203195 606899492 /nfs/dbraw/zinc/89/94/92/606899492.db2.gz IRCQRCUMDPAZCC-UHFFFAOYSA-N -1 3 369.331 3.063 20 0 FGADHM Cc1cc(F)c(C(=O)OCc2cn3ccccc3c2-c2nn[n-]n2)cc1F ZINC000822203195 606899494 /nfs/dbraw/zinc/89/94/94/606899494.db2.gz IRCQRCUMDPAZCC-UHFFFAOYSA-N -1 3 369.331 3.063 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H]1COc2c1cccc2Cl ZINC000822218059 606906369 /nfs/dbraw/zinc/90/63/69/606906369.db2.gz WJZHWNSNMLUHSP-CQSZACIVSA-N -1 3 370.800 3.084 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@H]1COc2c1cccc2Cl ZINC000822218059 606906371 /nfs/dbraw/zinc/90/63/71/606906371.db2.gz WJZHWNSNMLUHSP-CQSZACIVSA-N -1 3 370.800 3.084 20 0 FGADHM C[C@@H]1CC[C@H](C(=O)Oc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)O1 ZINC000820684798 606924631 /nfs/dbraw/zinc/92/46/31/606924631.db2.gz SDXKUSNDSHRCGV-SJKOYZFVSA-N -1 3 366.377 3.132 20 0 FGADHM C[C@@H]1CC[C@H](C(=O)Oc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)O1 ZINC000820684798 606924633 /nfs/dbraw/zinc/92/46/33/606924633.db2.gz SDXKUSNDSHRCGV-SJKOYZFVSA-N -1 3 366.377 3.132 20 0 FGADHM CCc1nnc(N[C@@H]2CCc3ccc(F)cc32)c(-c2nnn[n-]2)c1CC ZINC000821529291 606934105 /nfs/dbraw/zinc/93/41/05/606934105.db2.gz WGJZZTQYTMIDMF-OAHLLOKOSA-N -1 3 353.405 3.020 20 0 FGADHM CCc1nnc(N[C@@H]2CCc3ccc(F)cc32)c(-c2nn[n-]n2)c1CC ZINC000821529291 606934106 /nfs/dbraw/zinc/93/41/06/606934106.db2.gz WGJZZTQYTMIDMF-OAHLLOKOSA-N -1 3 353.405 3.020 20 0 FGADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cc(F)cc(Cl)c1 ZINC000820526079 606935927 /nfs/dbraw/zinc/93/59/27/606935927.db2.gz IIGSRIRZGPTXQX-SECBINFHSA-N -1 3 361.764 3.065 20 0 FGADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1cc(F)cc(Cl)c1 ZINC000820542298 606936278 /nfs/dbraw/zinc/93/62/78/606936278.db2.gz NAPLDYOIJZYGSV-VIFPVBQESA-N -1 3 361.764 3.065 20 0 FGADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1cc(F)cc(Cl)c1 ZINC000820542298 606936279 /nfs/dbraw/zinc/93/62/79/606936279.db2.gz NAPLDYOIJZYGSV-VIFPVBQESA-N -1 3 361.764 3.065 20 0 FGADHM FC(F)(F)c1ccc(NCCCc2nccs2)c(-c2nnn[n-]2)c1 ZINC000822728957 606936695 /nfs/dbraw/zinc/93/66/95/606936695.db2.gz OIAGFMYXMGRAHL-UHFFFAOYSA-N -1 3 354.361 3.387 20 0 FGADHM FC(F)(F)c1ccc(NCCCc2nccs2)c(-c2nn[n-]n2)c1 ZINC000822728957 606936696 /nfs/dbraw/zinc/93/66/96/606936696.db2.gz OIAGFMYXMGRAHL-UHFFFAOYSA-N -1 3 354.361 3.387 20 0 FGADHM CC(C)C1CCC(NC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000820038541 606938033 /nfs/dbraw/zinc/93/80/33/606938033.db2.gz PAYWJVOVYUIOOQ-UHFFFAOYSA-N -1 3 373.526 3.431 20 0 FGADHM CC(C)C1CCC(NC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000820038541 606938035 /nfs/dbraw/zinc/93/80/35/606938035.db2.gz PAYWJVOVYUIOOQ-UHFFFAOYSA-N -1 3 373.526 3.431 20 0 FGADHM CC(C)[C@H]1c2ccccc2CCN1C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820051647 606941213 /nfs/dbraw/zinc/94/12/13/606941213.db2.gz SJIUBTAVERLGMF-FQEVSTJZSA-N -1 3 361.449 3.191 20 0 FGADHM CC(C)[C@H]1c2ccccc2CCN1C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820051647 606941215 /nfs/dbraw/zinc/94/12/15/606941215.db2.gz SJIUBTAVERLGMF-FQEVSTJZSA-N -1 3 361.449 3.191 20 0 FGADHM c1cc([C@@H]2CN(c3nc4ccccc4cc3-c3nnn[n-]3)CCO2)cs1 ZINC000823802547 606949734 /nfs/dbraw/zinc/94/97/34/606949734.db2.gz RZBMJKPPCRSSPN-INIZCTEOSA-N -1 3 364.434 3.054 20 0 FGADHM c1cc([C@@H]2CN(c3nc4ccccc4cc3-c3nn[n-]n3)CCO2)cs1 ZINC000823802547 606949736 /nfs/dbraw/zinc/94/97/36/606949736.db2.gz RZBMJKPPCRSSPN-INIZCTEOSA-N -1 3 364.434 3.054 20 0 FGADHM CCOCCC1(C(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)CCCC1 ZINC000821373316 606953632 /nfs/dbraw/zinc/95/36/32/606953632.db2.gz FXTZDDOCBLIINX-UHFFFAOYSA-N -1 3 362.405 3.036 20 0 FGADHM CCOCCC1(C(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)CCCC1 ZINC000821373316 606953634 /nfs/dbraw/zinc/95/36/34/606953634.db2.gz FXTZDDOCBLIINX-UHFFFAOYSA-N -1 3 362.405 3.036 20 0 FGADHM O=C(Nc1sccc1-c1nnn[n-]1)c1cccc(OC(F)(F)F)c1 ZINC000823387249 606958575 /nfs/dbraw/zinc/95/85/75/606958575.db2.gz GQSGQDFVCQZLKX-UHFFFAOYSA-N -1 3 355.301 3.079 20 0 FGADHM O=C(Nc1sccc1-c1nn[n-]n1)c1cccc(OC(F)(F)F)c1 ZINC000823387249 606958578 /nfs/dbraw/zinc/95/85/78/606958578.db2.gz GQSGQDFVCQZLKX-UHFFFAOYSA-N -1 3 355.301 3.079 20 0 FGADHM CN(C(=O)[C@@H]1C[C@@H]1Cc1ccccc1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821569207 606962416 /nfs/dbraw/zinc/96/24/16/606962416.db2.gz BUYDBAUXAIVYPZ-XJKSGUPXSA-N -1 3 367.840 3.362 20 0 FGADHM CN(C(=O)[C@@H]1C[C@@H]1Cc1ccccc1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821569207 606962417 /nfs/dbraw/zinc/96/24/17/606962417.db2.gz BUYDBAUXAIVYPZ-XJKSGUPXSA-N -1 3 367.840 3.362 20 0 FGADHM COc1cccc([C@H](C)C(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)c1 ZINC000821858057 606963320 /nfs/dbraw/zinc/96/33/20/606963320.db2.gz CPSGEOJTKQJHBP-NSHDSACASA-N -1 3 371.828 3.295 20 0 FGADHM COc1cccc([C@H](C)C(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)c1 ZINC000821858057 606963321 /nfs/dbraw/zinc/96/33/21/606963321.db2.gz CPSGEOJTKQJHBP-NSHDSACASA-N -1 3 371.828 3.295 20 0 FGADHM CN(C(=O)C(F)(F)c1ccccc1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821569350 606964944 /nfs/dbraw/zinc/96/49/44/606964944.db2.gz GWRSILFBBLEDGP-UHFFFAOYSA-N -1 3 363.755 3.275 20 0 FGADHM CN(C(=O)C(F)(F)c1ccccc1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821569350 606964945 /nfs/dbraw/zinc/96/49/45/606964945.db2.gz GWRSILFBBLEDGP-UHFFFAOYSA-N -1 3 363.755 3.275 20 0 FGADHM CN(C(=O)Cc1coc2cc3c(cc12)CCC3)c1ccccc1-c1nnn[n-]1 ZINC000821571712 606971904 /nfs/dbraw/zinc/97/19/04/606971904.db2.gz BNLZYSPLTAHCOG-UHFFFAOYSA-N -1 3 373.416 3.307 20 0 FGADHM CN(C(=O)Cc1coc2cc3c(cc12)CCC3)c1ccccc1-c1nn[n-]n1 ZINC000821571712 606971906 /nfs/dbraw/zinc/97/19/06/606971906.db2.gz BNLZYSPLTAHCOG-UHFFFAOYSA-N -1 3 373.416 3.307 20 0 FGADHM Cc1sc(-c2ccco2)nc1C(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC000822552948 606972331 /nfs/dbraw/zinc/97/23/31/606972331.db2.gz GIKZEKCUWRDMRK-UHFFFAOYSA-N -1 3 366.406 3.168 20 0 FGADHM Cc1sc(-c2ccco2)nc1C(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC000822552948 606972332 /nfs/dbraw/zinc/97/23/32/606972332.db2.gz GIKZEKCUWRDMRK-UHFFFAOYSA-N -1 3 366.406 3.168 20 0 FGADHM Cc1cccc(NC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)c1C ZINC000822323290 606977851 /nfs/dbraw/zinc/97/78/51/606977851.db2.gz DHVFNSUTBZMCRK-UHFFFAOYSA-N -1 3 351.410 3.280 20 0 FGADHM Cc1cccc(NC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)c1C ZINC000822323290 606977853 /nfs/dbraw/zinc/97/78/53/606977853.db2.gz DHVFNSUTBZMCRK-UHFFFAOYSA-N -1 3 351.410 3.280 20 0 FGADHM CCC[C@H](NC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1F ZINC000821020826 606981773 /nfs/dbraw/zinc/98/17/73/606981773.db2.gz IMOSMZNNRFSUQO-KRWDZBQOSA-N -1 3 371.391 3.345 20 0 FGADHM CCC[C@H](NC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1F ZINC000821020826 606981775 /nfs/dbraw/zinc/98/17/75/606981775.db2.gz IMOSMZNNRFSUQO-KRWDZBQOSA-N -1 3 371.391 3.345 20 0 FGADHM CCC(=O)c1ccc(OCc2cn3ccccc3c2-c2nnn[n-]2)c(F)c1 ZINC000820842894 606982214 /nfs/dbraw/zinc/98/22/14/606982214.db2.gz QTRUAPLYBQGNTQ-UHFFFAOYSA-N -1 3 365.368 3.430 20 0 FGADHM CCC(=O)c1ccc(OCc2cn3ccccc3c2-c2nn[n-]n2)c(F)c1 ZINC000820842894 606982215 /nfs/dbraw/zinc/98/22/15/606982215.db2.gz QTRUAPLYBQGNTQ-UHFFFAOYSA-N -1 3 365.368 3.430 20 0 FGADHM Clc1ncc(CSCCOc2cccc(-c3nnn[n-]3)c2)s1 ZINC000822591551 606987669 /nfs/dbraw/zinc/98/76/69/606987669.db2.gz UUXNEMSQCDHCGJ-UHFFFAOYSA-N -1 3 353.860 3.289 20 0 FGADHM Clc1ncc(CSCCOc2cccc(-c3nn[n-]n3)c2)s1 ZINC000822591551 606987671 /nfs/dbraw/zinc/98/76/71/606987671.db2.gz UUXNEMSQCDHCGJ-UHFFFAOYSA-N -1 3 353.860 3.289 20 0 FGADHM O=C(CCc1c[nH]c2ccccc12)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822974521 606989400 /nfs/dbraw/zinc/98/94/00/606989400.db2.gz QGFXUBKEGQTJPN-UHFFFAOYSA-N -1 3 365.368 3.163 20 0 FGADHM O=C(CCc1c[nH]c2ccccc12)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822974521 606989402 /nfs/dbraw/zinc/98/94/02/606989402.db2.gz QGFXUBKEGQTJPN-UHFFFAOYSA-N -1 3 365.368 3.163 20 0 FGADHM Cc1ccc([C@H](C)NC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822229432 606992402 /nfs/dbraw/zinc/99/24/02/606992402.db2.gz UQVPAQODFIIQCV-AWEZNQCLSA-N -1 3 365.437 3.210 20 0 FGADHM Cc1ccc([C@H](C)NC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822229432 606992403 /nfs/dbraw/zinc/99/24/03/606992403.db2.gz UQVPAQODFIIQCV-AWEZNQCLSA-N -1 3 365.437 3.210 20 0 FGADHM CC(C)(C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1)c1cccc(F)c1 ZINC000819891889 606999491 /nfs/dbraw/zinc/99/94/91/606999491.db2.gz KDCBJFWZPRDQNT-UHFFFAOYSA-N -1 3 358.348 3.166 20 0 FGADHM CC(C)(C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1)c1cccc(F)c1 ZINC000819891889 606999492 /nfs/dbraw/zinc/99/94/92/606999492.db2.gz KDCBJFWZPRDQNT-UHFFFAOYSA-N -1 3 358.348 3.166 20 0 FGADHM C[C@H](CCc1cccc(F)c1)C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820253487 607001301 /nfs/dbraw/zinc/00/13/01/607001301.db2.gz IXDYPAFSVORHTK-GFCCVEGCSA-N -1 3 372.375 3.457 20 0 FGADHM C[C@H](CCc1cccc(F)c1)C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820253487 607001303 /nfs/dbraw/zinc/00/13/03/607001303.db2.gz IXDYPAFSVORHTK-GFCCVEGCSA-N -1 3 372.375 3.457 20 0 FGADHM COc1cccc([C@H](C)CC(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000821860042 607003833 /nfs/dbraw/zinc/00/38/33/607003833.db2.gz WTDUQOBNOKBKPP-GFCCVEGCSA-N -1 3 370.384 3.251 20 0 FGADHM COc1cccc([C@H](C)CC(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000821860042 607003835 /nfs/dbraw/zinc/00/38/35/607003835.db2.gz WTDUQOBNOKBKPP-GFCCVEGCSA-N -1 3 370.384 3.251 20 0 FGADHM Fc1ccc(CSc2nnc(C3CC3)n2C2CC2)cc1-c1nnn[n-]1 ZINC000822775551 607007510 /nfs/dbraw/zinc/00/75/10/607007510.db2.gz XRMCHINOMUDZQP-UHFFFAOYSA-N -1 3 357.418 3.102 20 0 FGADHM Fc1ccc(CSc2nnc(C3CC3)n2C2CC2)cc1-c1nn[n-]n1 ZINC000822775551 607007512 /nfs/dbraw/zinc/00/75/12/607007512.db2.gz XRMCHINOMUDZQP-UHFFFAOYSA-N -1 3 357.418 3.102 20 0 FGADHM C[C@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1cccnc1Cl ZINC000820555046 607016218 /nfs/dbraw/zinc/01/62/18/607016218.db2.gz FEPXQBCEPMFRFJ-VIFPVBQESA-N -1 3 360.830 3.034 20 0 FGADHM C[C@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1cccnc1Cl ZINC000820555046 607016219 /nfs/dbraw/zinc/01/62/19/607016219.db2.gz FEPXQBCEPMFRFJ-VIFPVBQESA-N -1 3 360.830 3.034 20 0 FGADHM C[C@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000820557295 607016763 /nfs/dbraw/zinc/01/67/63/607016763.db2.gz XXENZIOGAALERF-LMOYCYGVSA-N -1 3 359.499 3.288 20 0 FGADHM C[C@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000820557295 607016764 /nfs/dbraw/zinc/01/67/64/607016764.db2.gz XXENZIOGAALERF-LMOYCYGVSA-N -1 3 359.499 3.288 20 0 FGADHM Cc1ccccc1CCNC(=O)[C@@H](C)Sc1cccc(-c2nnn[n-]2)c1 ZINC000822356082 607017833 /nfs/dbraw/zinc/01/78/33/607017833.db2.gz IQJXIHDZEOHDQF-CQSZACIVSA-N -1 3 367.478 3.015 20 0 FGADHM Cc1ccccc1CCNC(=O)[C@@H](C)Sc1cccc(-c2nn[n-]n2)c1 ZINC000822356082 607017835 /nfs/dbraw/zinc/01/78/35/607017835.db2.gz IQJXIHDZEOHDQF-CQSZACIVSA-N -1 3 367.478 3.015 20 0 FGADHM Cc1nnc([C@@H](C)SCc2ccc(-c3nnn[n-]3)cc2OC(F)F)o1 ZINC000822510467 607034972 /nfs/dbraw/zinc/03/49/72/607034972.db2.gz NZPKCVAWYBZAPQ-SSDOTTSWSA-N -1 3 368.369 3.154 20 0 FGADHM Cc1nnc([C@@H](C)SCc2ccc(-c3nn[n-]n3)cc2OC(F)F)o1 ZINC000822510467 607034974 /nfs/dbraw/zinc/03/49/74/607034974.db2.gz NZPKCVAWYBZAPQ-SSDOTTSWSA-N -1 3 368.369 3.154 20 0 FGADHM CCCC1(C(=O)N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)CCC1 ZINC000821028439 607036859 /nfs/dbraw/zinc/03/68/59/607036859.db2.gz VWYKCOJLUQEMLL-UHFFFAOYSA-N -1 3 369.469 3.207 20 0 FGADHM C[C@H](CCC(C)(C)C)NC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000820243103 607037769 /nfs/dbraw/zinc/03/77/69/607037769.db2.gz VLTHTKIDGRYQGK-CYBMUJFWSA-N -1 3 359.474 3.355 20 0 FGADHM C[C@H](CCC(C)(C)C)NC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000820243103 607037771 /nfs/dbraw/zinc/03/77/71/607037771.db2.gz VLTHTKIDGRYQGK-CYBMUJFWSA-N -1 3 359.474 3.355 20 0 FGADHM CC(C)c1nccc(Oc2ccc(Br)cc2-c2nnn[n-]2)n1 ZINC000820206727 607045345 /nfs/dbraw/zinc/04/53/45/607045345.db2.gz XZISJCBJBPMYTE-UHFFFAOYSA-N -1 3 361.203 3.335 20 0 FGADHM CC(C)c1nccc(Oc2ccc(Br)cc2-c2nn[n-]n2)n1 ZINC000820206727 607045347 /nfs/dbraw/zinc/04/53/47/607045347.db2.gz XZISJCBJBPMYTE-UHFFFAOYSA-N -1 3 361.203 3.335 20 0 FGADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)C[C@@H]1CC[C@@H](C)C1 ZINC000821699403 607052572 /nfs/dbraw/zinc/05/25/72/607052572.db2.gz OVODPOXXBQPUNW-NXEZZACHSA-N -1 3 350.806 3.260 20 0 FGADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)C[C@@H]1CC[C@@H](C)C1 ZINC000821699403 607052574 /nfs/dbraw/zinc/05/25/74/607052574.db2.gz OVODPOXXBQPUNW-NXEZZACHSA-N -1 3 350.806 3.260 20 0 FGADHM Cc1csc([C@@H]2CCCCN2Cc2cc(F)ccc2-c2nnn[n-]2)n1 ZINC000822408455 607062931 /nfs/dbraw/zinc/06/29/31/607062931.db2.gz DIBXQCZVRIXMIY-HNNXBMFYSA-N -1 3 358.446 3.498 20 0 FGADHM Cc1csc([C@@H]2CCCCN2Cc2cc(F)ccc2-c2nn[n-]n2)n1 ZINC000822408455 607062933 /nfs/dbraw/zinc/06/29/33/607062933.db2.gz DIBXQCZVRIXMIY-HNNXBMFYSA-N -1 3 358.446 3.498 20 0 FGADHM CC(C)Oc1ccccc1CC(=O)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000820178096 607080539 /nfs/dbraw/zinc/08/05/39/607080539.db2.gz HMSWWPPXXBXUKV-UHFFFAOYSA-N -1 3 370.384 3.079 20 0 FGADHM CC(C)Oc1ccccc1CC(=O)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000820178096 607080541 /nfs/dbraw/zinc/08/05/41/607080541.db2.gz HMSWWPPXXBXUKV-UHFFFAOYSA-N -1 3 370.384 3.079 20 0 FGADHM C[C@H](OC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1 ZINC000820481747 607083012 /nfs/dbraw/zinc/08/30/12/607083012.db2.gz ZQCNUMRMLJBPQS-LBPRGKRZSA-N -1 3 370.384 3.468 20 0 FGADHM C[C@H](OC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1 ZINC000820481747 607083013 /nfs/dbraw/zinc/08/30/13/607083013.db2.gz ZQCNUMRMLJBPQS-LBPRGKRZSA-N -1 3 370.384 3.468 20 0 FGADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CCc1cccc(F)c1F ZINC000821304596 607100506 /nfs/dbraw/zinc/10/05/06/607100506.db2.gz MQLNQMGQWQORRP-UHFFFAOYSA-N -1 3 372.379 3.148 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)c1cc(C)c(F)cc1Cl ZINC000821699444 607113010 /nfs/dbraw/zinc/11/30/10/607113010.db2.gz PYFSLPXCKYCOII-UHFFFAOYSA-N -1 3 362.748 3.195 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)c1cc(C)c(F)cc1Cl ZINC000821699444 607113011 /nfs/dbraw/zinc/11/30/11/607113011.db2.gz PYFSLPXCKYCOII-UHFFFAOYSA-N -1 3 362.748 3.195 20 0 FGADHM C[C@]1(c2ccccc2)CN(c2c(-c3nnn[n-]3)cnc3ccccc32)CCO1 ZINC000820637472 607115837 /nfs/dbraw/zinc/11/58/37/607115837.db2.gz XQOFOPYRWVPUMS-OAQYLSRUSA-N -1 3 372.432 3.167 20 0 FGADHM C[C@]1(c2ccccc2)CN(c2c(-c3nn[n-]n3)cnc3ccccc32)CCO1 ZINC000820637472 607115839 /nfs/dbraw/zinc/11/58/39/607115839.db2.gz XQOFOPYRWVPUMS-OAQYLSRUSA-N -1 3 372.432 3.167 20 0 FGADHM C[C@H]1CN(c2c(F)cc(-c3nnn[n-]3)cc2F)C[C@@H](c2ccsc2)O1 ZINC000820769147 607115976 /nfs/dbraw/zinc/11/59/76/607115976.db2.gz RRRMGVADFYUUQI-XPTSAGLGSA-N -1 3 363.393 3.173 20 0 FGADHM C[C@H]1CN(c2c(F)cc(-c3nn[n-]n3)cc2F)C[C@@H](c2ccsc2)O1 ZINC000820769147 607115978 /nfs/dbraw/zinc/11/59/78/607115978.db2.gz RRRMGVADFYUUQI-XPTSAGLGSA-N -1 3 363.393 3.173 20 0 FGADHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)OCc1ccc(F)c(F)c1 ZINC000820005874 607117999 /nfs/dbraw/zinc/11/79/99/607117999.db2.gz YPBJVJLOUCTNCX-UHFFFAOYSA-N -1 3 374.347 3.046 20 0 FGADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OCc1ccc(F)c(F)c1 ZINC000820005874 607118001 /nfs/dbraw/zinc/11/80/01/607118001.db2.gz YPBJVJLOUCTNCX-UHFFFAOYSA-N -1 3 374.347 3.046 20 0 FGADHM O=C(CNc1ccc(-c2nn[n-]n2)cc1Cl)Nc1ccc(Cl)cc1 ZINC000823014314 607125292 /nfs/dbraw/zinc/12/52/92/607125292.db2.gz KOINZNVDMCOEJP-UHFFFAOYSA-N -1 3 363.208 3.224 20 0 FGADHM Cc1cc(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c(Cl)cc1F ZINC000822168016 607129207 /nfs/dbraw/zinc/12/92/07/607129207.db2.gz KVKLDFIKAXKWLP-JTQLQIEISA-N -1 3 359.792 3.459 20 0 FGADHM Cc1cc(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c(Cl)cc1F ZINC000822168016 607129208 /nfs/dbraw/zinc/12/92/08/607129208.db2.gz KVKLDFIKAXKWLP-JTQLQIEISA-N -1 3 359.792 3.459 20 0 FGADHM C[C@@H](Oc1ccc(-c2nnn[n-]2)cc1F)C(=O)Nc1ccc(Cl)cc1 ZINC000820533837 607134504 /nfs/dbraw/zinc/13/45/04/607134504.db2.gz HCYVYIZFMMJNRA-SECBINFHSA-N -1 3 361.764 3.065 20 0 FGADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1F)C(=O)Nc1ccc(Cl)cc1 ZINC000820533837 607134505 /nfs/dbraw/zinc/13/45/05/607134505.db2.gz HCYVYIZFMMJNRA-SECBINFHSA-N -1 3 361.764 3.065 20 0 FGADHM Cc1cc(C(=O)COc2ccc(-c3nnn[n-]3)cc2F)c(C)n1C1CC1 ZINC000822168806 607134591 /nfs/dbraw/zinc/13/45/91/607134591.db2.gz SQQCVBWOMXKWPJ-UHFFFAOYSA-N -1 3 355.373 3.021 20 0 FGADHM Cc1cc(C(=O)COc2ccc(-c3nn[n-]n3)cc2F)c(C)n1C1CC1 ZINC000822168806 607134593 /nfs/dbraw/zinc/13/45/93/607134593.db2.gz SQQCVBWOMXKWPJ-UHFFFAOYSA-N -1 3 355.373 3.021 20 0 FGADHM C[C@@H](NC(=O)Nc1cccc(OCCF)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820379529 607138747 /nfs/dbraw/zinc/13/87/47/607138747.db2.gz CNNZDOKZFHWHIG-GFCCVEGCSA-N -1 3 370.388 3.098 20 0 FGADHM C[C@@H](NC(=O)Nc1cccc(OCCF)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820379529 607138750 /nfs/dbraw/zinc/13/87/50/607138750.db2.gz CNNZDOKZFHWHIG-GFCCVEGCSA-N -1 3 370.388 3.098 20 0 FGADHM COC(=O)c1oc([C@@H](C)Sc2nc(C)cc(C)c2-c2nnn[n-]2)cc1C ZINC000821671444 607148200 /nfs/dbraw/zinc/14/82/00/607148200.db2.gz WEUJILUEUZZXQR-LLVKDONJSA-N -1 3 373.438 3.420 20 0 FGADHM COC(=O)c1oc([C@@H](C)Sc2nc(C)cc(C)c2-c2nn[n-]n2)cc1C ZINC000821671444 607148202 /nfs/dbraw/zinc/14/82/02/607148202.db2.gz WEUJILUEUZZXQR-LLVKDONJSA-N -1 3 373.438 3.420 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@@H](C)OC1CCCCCC1 ZINC000821389304 607150379 /nfs/dbraw/zinc/15/03/79/607150379.db2.gz IRDIPTCGADGOEZ-CYBMUJFWSA-N -1 3 374.441 3.299 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@@H](C)OC1CCCCCC1 ZINC000821389304 607150381 /nfs/dbraw/zinc/15/03/81/607150381.db2.gz IRDIPTCGADGOEZ-CYBMUJFWSA-N -1 3 374.441 3.299 20 0 FGADHM Cc1cc(C(=O)Nc2sccc2-c2nnn[n-]2)c(Br)s1 ZINC000822183843 607150854 /nfs/dbraw/zinc/15/08/54/607150854.db2.gz KDKFXZCFIYDYEV-UHFFFAOYSA-N -1 3 370.257 3.313 20 0 FGADHM Cc1cc(C(=O)Nc2sccc2-c2nn[n-]n2)c(Br)s1 ZINC000822183843 607150855 /nfs/dbraw/zinc/15/08/55/607150855.db2.gz KDKFXZCFIYDYEV-UHFFFAOYSA-N -1 3 370.257 3.313 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H](CC)OC1CCCCC1 ZINC000821399779 607156874 /nfs/dbraw/zinc/15/68/74/607156874.db2.gz BIGRUQFZRLQSOQ-INIZCTEOSA-N -1 3 373.457 3.332 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H](CC)OC1CCCCC1 ZINC000821399779 607156876 /nfs/dbraw/zinc/15/68/76/607156876.db2.gz BIGRUQFZRLQSOQ-INIZCTEOSA-N -1 3 373.457 3.332 20 0 FGADHM Cc1cc(C(=O)COc2ccc(-c3nnn[n-]3)c(F)c2)c(Cl)cc1F ZINC000822166959 607157489 /nfs/dbraw/zinc/15/74/89/607157489.db2.gz AEMDHYADSIATNY-UHFFFAOYSA-N -1 3 364.739 3.368 20 0 FGADHM Cc1cc(C(=O)COc2ccc(-c3nn[n-]n3)c(F)c2)c(Cl)cc1F ZINC000822166959 607157490 /nfs/dbraw/zinc/15/74/90/607157490.db2.gz AEMDHYADSIATNY-UHFFFAOYSA-N -1 3 364.739 3.368 20 0 FGADHM CCCC[C@H](Sc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1cc(C)on1 ZINC000821043422 607162299 /nfs/dbraw/zinc/16/22/99/607162299.db2.gz PCYHFJYUDQYQOZ-AWEZNQCLSA-N -1 3 372.454 3.453 20 0 FGADHM CCCC[C@H](Sc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cc(C)on1 ZINC000821043422 607162300 /nfs/dbraw/zinc/16/23/00/607162300.db2.gz PCYHFJYUDQYQOZ-AWEZNQCLSA-N -1 3 372.454 3.453 20 0 FGADHM CC(C)CC[C@@H]1CCCN1C(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000820072275 607163749 /nfs/dbraw/zinc/16/37/49/607163749.db2.gz DGGZTTCHKKAIDR-GJZGRUSLSA-N -1 3 357.458 3.061 20 0 FGADHM CC(C)CC[C@@H]1CCCN1C(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000820072275 607163750 /nfs/dbraw/zinc/16/37/50/607163750.db2.gz DGGZTTCHKKAIDR-GJZGRUSLSA-N -1 3 357.458 3.061 20 0 FGADHM Fc1ccc(NCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)cc1Cl ZINC000822782869 607164855 /nfs/dbraw/zinc/16/48/55/607164855.db2.gz KFTRBZCNWLNAML-UHFFFAOYSA-N -1 3 371.763 3.321 20 0 FGADHM Fc1ccc(NCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)cc1Cl ZINC000822782869 607164856 /nfs/dbraw/zinc/16/48/56/607164856.db2.gz KFTRBZCNWLNAML-UHFFFAOYSA-N -1 3 371.763 3.321 20 0 FGADHM Fc1c(Cl)cccc1NCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000822736537 607165973 /nfs/dbraw/zinc/16/59/73/607165973.db2.gz GBRLLYBFEUJZIQ-UHFFFAOYSA-N -1 3 371.763 3.321 20 0 FGADHM Fc1c(Cl)cccc1NCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822736537 607165974 /nfs/dbraw/zinc/16/59/74/607165974.db2.gz GBRLLYBFEUJZIQ-UHFFFAOYSA-N -1 3 371.763 3.321 20 0 FGADHM Cc1ccccc1[C@H](CO)Nc1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000822350735 607174084 /nfs/dbraw/zinc/17/40/84/607174084.db2.gz GMKVEOBNWJHFRS-HNNXBMFYSA-N -1 3 363.343 3.339 20 0 FGADHM Cc1ccccc1[C@H](CO)Nc1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000822350735 607174085 /nfs/dbraw/zinc/17/40/85/607174085.db2.gz GMKVEOBNWJHFRS-HNNXBMFYSA-N -1 3 363.343 3.339 20 0 FGADHM O=C(C[C@@H]1CCOc2ccccc21)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000822946108 607190157 /nfs/dbraw/zinc/19/01/57/607190157.db2.gz VDSJGNBWGYKGRE-NSHDSACASA-N -1 3 369.812 3.415 20 0 FGADHM O=C(C[C@@H]1CCOc2ccccc21)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822946108 607190158 /nfs/dbraw/zinc/19/01/58/607190158.db2.gz VDSJGNBWGYKGRE-NSHDSACASA-N -1 3 369.812 3.415 20 0 FGADHM C[C@H](c1ccccn1)N(C)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820570699 607196305 /nfs/dbraw/zinc/19/63/05/607196305.db2.gz PGSGRIUKXFICSA-SNVBAGLBSA-N -1 3 357.805 3.140 20 0 FGADHM C[C@H](c1ccccn1)N(C)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820570699 607196306 /nfs/dbraw/zinc/19/63/06/607196306.db2.gz PGSGRIUKXFICSA-SNVBAGLBSA-N -1 3 357.805 3.140 20 0 FGADHM CC(C)n1cc([C@H](C)NC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cn1 ZINC000820373886 607196485 /nfs/dbraw/zinc/19/64/85/607196485.db2.gz KUFWGAICSFMGKM-JTQLQIEISA-N -1 3 374.836 3.180 20 0 FGADHM CC(C)n1cc([C@H](C)NC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cn1 ZINC000820373886 607196486 /nfs/dbraw/zinc/19/64/86/607196486.db2.gz KUFWGAICSFMGKM-JTQLQIEISA-N -1 3 374.836 3.180 20 0 FGADHM Cc1ccc2c(c1)[C@H](NC(=O)Nc1ccc(-c3nnn[n-]3)cc1Cl)CO2 ZINC000822274921 607197586 /nfs/dbraw/zinc/19/75/86/607197586.db2.gz LROKKZMXFZWDGI-CQSZACIVSA-N -1 3 370.800 3.084 20 0 FGADHM Cc1ccc2c(c1)[C@H](NC(=O)Nc1ccc(-c3nn[n-]n3)cc1Cl)CO2 ZINC000822274921 607197587 /nfs/dbraw/zinc/19/75/87/607197587.db2.gz LROKKZMXFZWDGI-CQSZACIVSA-N -1 3 370.800 3.084 20 0 FGADHM C[C@H](c1ccncc1)N(C)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820570042 607200767 /nfs/dbraw/zinc/20/07/67/607200767.db2.gz BYZYUINXWGQZJO-SNVBAGLBSA-N -1 3 357.805 3.140 20 0 FGADHM C[C@H](c1ccncc1)N(C)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820570042 607200768 /nfs/dbraw/zinc/20/07/68/607200768.db2.gz BYZYUINXWGQZJO-SNVBAGLBSA-N -1 3 357.805 3.140 20 0 FGADHM Cc1ccc(CNC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc1F ZINC000822237306 607203731 /nfs/dbraw/zinc/20/37/31/607203731.db2.gz OFTLTDVTXNTWNA-UHFFFAOYSA-N -1 3 360.780 3.289 20 0 FGADHM Cc1ccc(CNC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc1F ZINC000822237306 607203732 /nfs/dbraw/zinc/20/37/32/607203732.db2.gz OFTLTDVTXNTWNA-UHFFFAOYSA-N -1 3 360.780 3.289 20 0 FGADHM O=C(CCCOc1ccc2c(c1)CCC2)Nc1sccc1-c1nnn[n-]1 ZINC000822958738 607235939 /nfs/dbraw/zinc/23/59/39/607235939.db2.gz DXXNDGSJKHAZCD-UHFFFAOYSA-N -1 3 369.450 3.215 20 0 FGADHM O=C(CCCOc1ccc2c(c1)CCC2)Nc1sccc1-c1nn[n-]n1 ZINC000822958738 607235940 /nfs/dbraw/zinc/23/59/40/607235940.db2.gz DXXNDGSJKHAZCD-UHFFFAOYSA-N -1 3 369.450 3.215 20 0 FGADHM CC(C)C[C@@H](C)OCCC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820056856 607241257 /nfs/dbraw/zinc/24/12/57/607241257.db2.gz UGEREJUZNNXZHF-LLVKDONJSA-N -1 3 351.838 3.300 20 0 FGADHM CC(C)C[C@@H](C)OCCC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820056856 607241258 /nfs/dbraw/zinc/24/12/58/607241258.db2.gz UGEREJUZNNXZHF-LLVKDONJSA-N -1 3 351.838 3.300 20 0 FGADHM COc1ccccc1CCC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821890370 607241386 /nfs/dbraw/zinc/24/13/86/607241386.db2.gz MVKORRDUGJTXKI-UHFFFAOYSA-N -1 3 357.801 3.100 20 0 FGADHM COc1ccccc1CCC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821890370 607241387 /nfs/dbraw/zinc/24/13/87/607241387.db2.gz MVKORRDUGJTXKI-UHFFFAOYSA-N -1 3 357.801 3.100 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1cccc2cnccc21 ZINC000823319419 607241916 /nfs/dbraw/zinc/24/19/16/607241916.db2.gz VCERUPLXVOVQAH-UHFFFAOYSA-N -1 3 350.769 3.321 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1cccc2cnccc21 ZINC000823319419 607241917 /nfs/dbraw/zinc/24/19/17/607241917.db2.gz VCERUPLXVOVQAH-UHFFFAOYSA-N -1 3 350.769 3.321 20 0 FGADHM O=C(Cc1ccc(Cl)c(Cl)c1)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000823082178 607245528 /nfs/dbraw/zinc/24/55/28/607245528.db2.gz CLEYRZKWRCQJAS-UHFFFAOYSA-N -1 3 367.167 3.461 20 0 FGADHM O=C(Cc1ccc(Cl)c(Cl)c1)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000823082178 607245529 /nfs/dbraw/zinc/24/55/29/607245529.db2.gz CLEYRZKWRCQJAS-UHFFFAOYSA-N -1 3 367.167 3.461 20 0 FGADHM CCc1cccc(CC(=O)Oc2c(Cl)cc(-c3nnn[n-]3)cc2OC)c1 ZINC000825722878 607783091 /nfs/dbraw/zinc/78/30/91/607783091.db2.gz NHHUHGFXDGQJRU-UHFFFAOYSA-N -1 3 372.812 3.239 20 0 FGADHM CCc1cccc(CC(=O)Oc2c(Cl)cc(-c3nn[n-]n3)cc2OC)c1 ZINC000825722878 607783092 /nfs/dbraw/zinc/78/30/92/607783092.db2.gz NHHUHGFXDGQJRU-UHFFFAOYSA-N -1 3 372.812 3.239 20 0 FGADHM COc1cccc(OCCSCCOc2ccccc2-c2nnn[n-]2)c1 ZINC000826217233 607784964 /nfs/dbraw/zinc/78/49/64/607784964.db2.gz CZZWKIDWHOJDRD-UHFFFAOYSA-N -1 3 372.450 3.066 20 0 FGADHM COc1cccc(OCCSCCOc2ccccc2-c2nn[n-]n2)c1 ZINC000826217233 607784965 /nfs/dbraw/zinc/78/49/65/607784965.db2.gz CZZWKIDWHOJDRD-UHFFFAOYSA-N -1 3 372.450 3.066 20 0 FGADHM C[C@@H](CC(=O)N(C)c1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1F ZINC000824385061 607785203 /nfs/dbraw/zinc/78/52/03/607785203.db2.gz KVNATNDSUBAVGY-NSHDSACASA-N -1 3 357.364 3.302 20 0 FGADHM C[C@@H](CC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1F ZINC000824385061 607785204 /nfs/dbraw/zinc/78/52/04/607785204.db2.gz KVNATNDSUBAVGY-NSHDSACASA-N -1 3 357.364 3.302 20 0 FGADHM Cc1nc(CC(C)C)sc1C(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC000826325499 607788606 /nfs/dbraw/zinc/78/86/06/607788606.db2.gz ZTZLTFOURODIKM-UHFFFAOYSA-N -1 3 356.455 3.107 20 0 FGADHM Cc1nc(CC(C)C)sc1C(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC000826325499 607788607 /nfs/dbraw/zinc/78/86/07/607788607.db2.gz ZTZLTFOURODIKM-UHFFFAOYSA-N -1 3 356.455 3.107 20 0 FGADHM Cc1ccc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCC3)nc1 ZINC000826282318 607793271 /nfs/dbraw/zinc/79/32/71/607793271.db2.gz IQDINFXHOFQOIG-UHFFFAOYSA-N -1 3 354.439 3.153 20 0 FGADHM Cc1ccc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCC3)nc1 ZINC000826282318 607793272 /nfs/dbraw/zinc/79/32/72/607793272.db2.gz IQDINFXHOFQOIG-UHFFFAOYSA-N -1 3 354.439 3.153 20 0 FGADHM CCN(C(=O)c1ccc(OC(C)C)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825385388 607795891 /nfs/dbraw/zinc/79/58/91/607795891.db2.gz DRYAOXQSACUACR-UHFFFAOYSA-N -1 3 351.410 3.321 20 0 FGADHM CCN(C(=O)c1ccc(OC(C)C)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825385388 607795892 /nfs/dbraw/zinc/79/58/92/607795892.db2.gz DRYAOXQSACUACR-UHFFFAOYSA-N -1 3 351.410 3.321 20 0 FGADHM CCN(C(=O)CCOc1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825371962 607797326 /nfs/dbraw/zinc/79/73/26/607797326.db2.gz OSPPBKHBVGAQTH-UHFFFAOYSA-N -1 3 371.828 3.342 20 0 FGADHM CCN(C(=O)CCOc1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825371962 607797327 /nfs/dbraw/zinc/79/73/27/607797327.db2.gz OSPPBKHBVGAQTH-UHFFFAOYSA-N -1 3 371.828 3.342 20 0 FGADHM CCN(C(=O)CCC(=O)c1ccc(C)s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825371120 607797427 /nfs/dbraw/zinc/79/74/27/607797427.db2.gz BXMXCPPZJGETNT-UHFFFAOYSA-N -1 3 369.450 3.253 20 0 FGADHM CCN(C(=O)CCC(=O)c1ccc(C)s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825371120 607797428 /nfs/dbraw/zinc/79/74/28/607797428.db2.gz BXMXCPPZJGETNT-UHFFFAOYSA-N -1 3 369.450 3.253 20 0 FGADHM CCN(C(=O)C=C(C)c1ccccc1OC)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367785 607799920 /nfs/dbraw/zinc/79/99/20/607799920.db2.gz WPSHMHRPLGCPRS-YPKPFQOOSA-N -1 3 363.421 3.332 20 0 FGADHM CCN(C(=O)C=C(C)c1ccccc1OC)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367785 607799921 /nfs/dbraw/zinc/79/99/21/607799921.db2.gz WPSHMHRPLGCPRS-YPKPFQOOSA-N -1 3 363.421 3.332 20 0 FGADHM CCN(C(=O)Cc1ccc(F)cc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000825376924 607800670 /nfs/dbraw/zinc/80/06/70/607800670.db2.gz PXHMCOQYPNCWAO-UHFFFAOYSA-N -1 3 359.792 3.255 20 0 FGADHM CCN(C(=O)Cc1ccc(F)cc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000825376924 607800671 /nfs/dbraw/zinc/80/06/71/607800671.db2.gz PXHMCOQYPNCWAO-UHFFFAOYSA-N -1 3 359.792 3.255 20 0 FGADHM CC[C@@H](OC1CCCCC1)C(=O)N(CC)c1ccc(-c2nnn[n-]2)cc1 ZINC000825154981 607800828 /nfs/dbraw/zinc/80/08/28/607800828.db2.gz WSJGTZRCDFMQCA-QGZVFWFLSA-N -1 3 357.458 3.348 20 0 FGADHM CC[C@@H](OC1CCCCC1)C(=O)N(CC)c1ccc(-c2nn[n-]n2)cc1 ZINC000825154981 607800829 /nfs/dbraw/zinc/80/08/29/607800829.db2.gz WSJGTZRCDFMQCA-QGZVFWFLSA-N -1 3 357.458 3.348 20 0 FGADHM CCCC(CCC)C(=O)NC1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000825242221 607806358 /nfs/dbraw/zinc/80/63/58/607806358.db2.gz LMNBTZZRLYEIMD-UHFFFAOYSA-N -1 3 370.501 3.168 20 0 FGADHM CCCC(CCC)C(=O)NC1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000825242221 607806359 /nfs/dbraw/zinc/80/63/59/607806359.db2.gz LMNBTZZRLYEIMD-UHFFFAOYSA-N -1 3 370.501 3.168 20 0 FGADHM CC1(C)C[C@@H](Nc2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)CCO1 ZINC000824790271 607821220 /nfs/dbraw/zinc/82/12/20/607821220.db2.gz LSWPPIJHIQMHTM-JTQLQIEISA-N -1 3 360.368 3.063 20 0 FGADHM CC1(C)C[C@@H](Nc2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)CCO1 ZINC000824790271 607821221 /nfs/dbraw/zinc/82/12/21/607821221.db2.gz LSWPPIJHIQMHTM-JTQLQIEISA-N -1 3 360.368 3.063 20 0 FGADHM COc1ccc2cccc(CC(=O)N(C)c3ccc(-c4nnn[n-]4)cc3)c2c1 ZINC000826212822 607830021 /nfs/dbraw/zinc/83/00/21/607830021.db2.gz CCHPYRDHJXOTAV-UHFFFAOYSA-N -1 3 373.416 3.234 20 0 FGADHM COc1ccc2cccc(CC(=O)N(C)c3ccc(-c4nn[n-]n4)cc3)c2c1 ZINC000826212822 607830022 /nfs/dbraw/zinc/83/00/22/607830022.db2.gz CCHPYRDHJXOTAV-UHFFFAOYSA-N -1 3 373.416 3.234 20 0 FGADHM Cc1cnccc1CCNc1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21 ZINC000826319720 607851349 /nfs/dbraw/zinc/85/13/49/607851349.db2.gz PFXJNUBFHDSXNJ-UHFFFAOYSA-N -1 3 367.363 3.051 20 0 FGADHM Cc1cnccc1CCNc1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21 ZINC000826319720 607851350 /nfs/dbraw/zinc/85/13/50/607851350.db2.gz PFXJNUBFHDSXNJ-UHFFFAOYSA-N -1 3 367.363 3.051 20 0 FGADHM CC1(NC(=O)c2cccc(COc3ccc(-c4nn[n-]n4)cc3)c2)CCC1 ZINC000824839124 607854992 /nfs/dbraw/zinc/85/49/92/607854992.db2.gz ZKYOIFBEEDXQFH-UHFFFAOYSA-N -1 3 363.421 3.118 20 0 FGADHM CC(C)CSCCNC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000824275003 607879303 /nfs/dbraw/zinc/87/93/03/607879303.db2.gz QQOMZOFYFORVLO-UHFFFAOYSA-N -1 3 370.935 3.196 20 0 FGADHM CC(C)CSCCNC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000824275003 607879304 /nfs/dbraw/zinc/87/93/04/607879304.db2.gz QQOMZOFYFORVLO-UHFFFAOYSA-N -1 3 370.935 3.196 20 0 FGADHM C[C@H](NCc1ccccc1-c1nnn[n-]1)c1nc(C2CCCCC2)no1 ZINC000824627285 607909752 /nfs/dbraw/zinc/90/97/52/607909752.db2.gz VZKIAPKMAPQEGP-LBPRGKRZSA-N -1 3 353.430 3.148 20 0 FGADHM C[C@H](NCc1ccccc1-c1nn[n-]n1)c1nc(C2CCCCC2)no1 ZINC000824627285 607909753 /nfs/dbraw/zinc/90/97/53/607909753.db2.gz VZKIAPKMAPQEGP-LBPRGKRZSA-N -1 3 353.430 3.148 20 0 FGADHM COCC(C)(C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCCC2 ZINC000826149114 607924444 /nfs/dbraw/zinc/92/44/44/607924444.db2.gz ZNZHSERQXNBNNO-UHFFFAOYSA-N -1 3 363.487 3.198 20 0 FGADHM COCC(C)(C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCCC2 ZINC000826149114 607924445 /nfs/dbraw/zinc/92/44/45/607924445.db2.gz ZNZHSERQXNBNNO-UHFFFAOYSA-N -1 3 363.487 3.198 20 0 FGADHM CC(C)(C(=O)NCCSCc1ccccc1-c1nnn[n-]1)C1CCCC1 ZINC000824059080 607930755 /nfs/dbraw/zinc/93/07/55/607930755.db2.gz MBTDIOMNTNTSTM-UHFFFAOYSA-N -1 3 373.526 3.433 20 0 FGADHM CC(C)(C(=O)NCCSCc1ccccc1-c1nn[n-]n1)C1CCCC1 ZINC000824059080 607930756 /nfs/dbraw/zinc/93/07/56/607930756.db2.gz MBTDIOMNTNTSTM-UHFFFAOYSA-N -1 3 373.526 3.433 20 0 FGADHM Cc1ccc(CCCCC(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)cc1 ZINC000826287202 607947351 /nfs/dbraw/zinc/94/73/51/607947351.db2.gz HAFVHNHGXUODAX-UHFFFAOYSA-N -1 3 361.449 3.477 20 0 FGADHM Cc1ccc(CCCCC(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)cc1 ZINC000826287202 607947352 /nfs/dbraw/zinc/94/73/52/607947352.db2.gz HAFVHNHGXUODAX-UHFFFAOYSA-N -1 3 361.449 3.477 20 0 FGADHM C[C@H](CSc1ccccc1)C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000824447923 607949785 /nfs/dbraw/zinc/94/97/85/607949785.db2.gz DMSHIYWMFDRHNF-CYBMUJFWSA-N -1 3 365.462 3.184 20 0 FGADHM C[C@H](CSc1ccccc1)C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000824447923 607949786 /nfs/dbraw/zinc/94/97/86/607949786.db2.gz DMSHIYWMFDRHNF-CYBMUJFWSA-N -1 3 365.462 3.184 20 0 FGADHM Cc1ccc([C@@H]2C[C@H](OC(=O)c3ccc(-c4nnn[n-]4)cc3)CCO2)cc1 ZINC000826285115 607950662 /nfs/dbraw/zinc/95/06/62/607950662.db2.gz PQSKLQNSAIDOCY-MSOLQXFVSA-N -1 3 364.405 3.252 20 0 FGADHM Cc1ccc([C@@H]2C[C@H](OC(=O)c3ccc(-c4nn[n-]n4)cc3)CCO2)cc1 ZINC000826285115 607950663 /nfs/dbraw/zinc/95/06/63/607950663.db2.gz PQSKLQNSAIDOCY-MSOLQXFVSA-N -1 3 364.405 3.252 20 0 FGADHM O=C([C@H]1C[C@]12CCCc1ccccc12)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826397552 607954303 /nfs/dbraw/zinc/95/43/03/607954303.db2.gz GIBWKUZLUNDHFB-GCJKJVERSA-N -1 3 371.444 3.050 20 0 FGADHM O=C([C@H]1C[C@]12CCCc1ccccc12)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826397552 607954304 /nfs/dbraw/zinc/95/43/04/607954304.db2.gz GIBWKUZLUNDHFB-GCJKJVERSA-N -1 3 371.444 3.050 20 0 FGADHM O=C(NCC12CCC(CC1)C2)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000826434333 607959772 /nfs/dbraw/zinc/95/97/72/607959772.db2.gz KCDKINRKVDZAPI-UHFFFAOYSA-N -1 3 366.469 3.121 20 0 FGADHM O=C(NCC12CCC(CC1)C2)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000826434333 607959773 /nfs/dbraw/zinc/95/97/73/607959773.db2.gz KCDKINRKVDZAPI-UHFFFAOYSA-N -1 3 366.469 3.121 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)CC1CCC(OC)CC1 ZINC000825319067 607970419 /nfs/dbraw/zinc/97/04/19/607970419.db2.gz WOCDYFLIEZNLAU-UHFFFAOYSA-N -1 3 371.485 3.201 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)CC1CCC(OC)CC1 ZINC000825319067 607970420 /nfs/dbraw/zinc/97/04/20/607970420.db2.gz WOCDYFLIEZNLAU-UHFFFAOYSA-N -1 3 371.485 3.201 20 0 FGADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1-c1ccc(Br)o1 ZINC000825782706 607975410 /nfs/dbraw/zinc/97/54/10/607975410.db2.gz MKKDVHZGSTZRTR-UHFFFAOYSA-N -1 3 359.187 3.259 20 0 FGADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1ccc(Br)o1 ZINC000825782706 607975411 /nfs/dbraw/zinc/97/54/11/607975411.db2.gz MKKDVHZGSTZRTR-UHFFFAOYSA-N -1 3 359.187 3.259 20 0 FGADHM O=C(C=Cc1ccc(Cl)nc1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000826400178 608006578 /nfs/dbraw/zinc/00/65/78/608006578.db2.gz RIVXVOAUYLVCOQ-KXFIGUGUSA-N -1 3 361.192 3.220 20 0 FGADHM O=C(C=Cc1ccc(Cl)nc1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000826400178 608006579 /nfs/dbraw/zinc/00/65/79/608006579.db2.gz RIVXVOAUYLVCOQ-KXFIGUGUSA-N -1 3 361.192 3.220 20 0 FGADHM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)N1CCCC12CCCCC2 ZINC000826420098 608009645 /nfs/dbraw/zinc/00/96/45/608009645.db2.gz YEDDSNTYAJMXKA-UHFFFAOYSA-N -1 3 371.510 3.425 20 0 FGADHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)N1CCCC12CCCCC2 ZINC000826420098 608009646 /nfs/dbraw/zinc/00/96/46/608009646.db2.gz YEDDSNTYAJMXKA-UHFFFAOYSA-N -1 3 371.510 3.425 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1NC1CCC(OC(=O)c2ccoc2)CC1 ZINC000826254773 608012375 /nfs/dbraw/zinc/01/23/75/608012375.db2.gz ADAPDYJGFICPPP-UHFFFAOYSA-N -1 3 367.409 3.348 20 0 FGADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCC2)c1scnc1C1CC1 ZINC000826460925 608024910 /nfs/dbraw/zinc/02/49/10/608024910.db2.gz YDPFIGZQPLOLHJ-UHFFFAOYSA-N -1 3 358.452 3.003 20 0 FGADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCC2)c1scnc1C1CC1 ZINC000826460925 608024911 /nfs/dbraw/zinc/02/49/11/608024911.db2.gz YDPFIGZQPLOLHJ-UHFFFAOYSA-N -1 3 358.452 3.003 20 0 FGADHM CCN(C(=O)c1scnc1C1CC1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825390963 608025117 /nfs/dbraw/zinc/02/51/17/608025117.db2.gz QTKWSYRJLQSLLL-NSHDSACASA-N -1 3 368.466 3.424 20 0 FGADHM CCN(C(=O)c1scnc1C1CC1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825390963 608025118 /nfs/dbraw/zinc/02/51/18/608025118.db2.gz QTKWSYRJLQSLLL-NSHDSACASA-N -1 3 368.466 3.424 20 0 FGADHM CC[C@@H](C)n1ncc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)c1C1CC1 ZINC000825081639 608027093 /nfs/dbraw/zinc/02/70/93/608027093.db2.gz LFWOCSGGGAHOJV-GFCCVEGCSA-N -1 3 365.441 3.472 20 0 FGADHM CC[C@@H](C)n1ncc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)c1C1CC1 ZINC000825081639 608027094 /nfs/dbraw/zinc/02/70/94/608027094.db2.gz LFWOCSGGGAHOJV-GFCCVEGCSA-N -1 3 365.441 3.472 20 0 FGADHM Brc1cc(-c2nn[n-]n2)ccc1NCCCOC1CCCC1 ZINC000823827180 608048394 /nfs/dbraw/zinc/04/83/94/608048394.db2.gz VZABQTOFQHNZGM-UHFFFAOYSA-N -1 3 366.263 3.390 20 0 FGADHM C[C@@H](Cc1ccncc1)Nc1ccc(-c2nn[n-]n2)cc1Br ZINC000824465753 608050634 /nfs/dbraw/zinc/05/06/34/608050634.db2.gz RYJSMSIFAUFUPW-JTQLQIEISA-N -1 3 359.231 3.067 20 0 FGADHM c1cc2nccc(N3CCO[C@@H](c4cccc(-c5nn[n-]n5)c4)C3)c2s1 ZINC000826513599 608052808 /nfs/dbraw/zinc/05/28/08/608052808.db2.gz PVGSHHOKEOKLFO-MRXNPFEDSA-N -1 3 364.434 3.054 20 0 FGADHM Nc1c(Cl)cc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2)cc1Cl ZINC000826395812 608058405 /nfs/dbraw/zinc/05/84/05/608058405.db2.gz UDUBHWTWLJAPGS-UHFFFAOYSA-N -1 3 364.192 3.113 20 0 FGADHM Nc1c(Cl)cc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC000826395812 608058406 /nfs/dbraw/zinc/05/84/06/608058406.db2.gz UDUBHWTWLJAPGS-UHFFFAOYSA-N -1 3 364.192 3.113 20 0 FGADHM O=C(C1CCCCCCC1)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826399460 608081315 /nfs/dbraw/zinc/08/13/15/608081315.db2.gz WEUZGQTYNWZVNG-SFHVURJKSA-N -1 3 369.469 3.127 20 0 FGADHM O=C(C1CCCCCCC1)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826399460 608081316 /nfs/dbraw/zinc/08/13/16/608081316.db2.gz WEUZGQTYNWZVNG-SFHVURJKSA-N -1 3 369.469 3.127 20 0 FGADHM COc1ccc(CNc2ccc(Cl)c(NC(C)=O)c2)cc1-c1nnn[n-]1 ZINC000826204145 608100608 /nfs/dbraw/zinc/10/06/08/608100608.db2.gz ZQRNAYSFDUEFDT-UHFFFAOYSA-N -1 3 372.816 3.099 20 0 FGADHM COc1ccc(CNc2ccc(Cl)c(NC(C)=O)c2)cc1-c1nn[n-]n1 ZINC000826204145 608100609 /nfs/dbraw/zinc/10/06/09/608100609.db2.gz ZQRNAYSFDUEFDT-UHFFFAOYSA-N -1 3 372.816 3.099 20 0 FGADHM C[C@H](C(=O)OCc1ccc(-c2nnn[n-]2)cc1F)c1c(F)cccc1F ZINC000824052524 608117123 /nfs/dbraw/zinc/11/71/23/608117123.db2.gz OTYMCIPRKBSHHW-VIFPVBQESA-N -1 3 362.311 3.131 20 0 FGADHM C[C@H](C(=O)OCc1ccc(-c2nn[n-]n2)cc1F)c1c(F)cccc1F ZINC000824052524 608117124 /nfs/dbraw/zinc/11/71/24/608117124.db2.gz OTYMCIPRKBSHHW-VIFPVBQESA-N -1 3 362.311 3.131 20 0 FGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)CCCC(F)(F)F ZINC000824293506 608149948 /nfs/dbraw/zinc/14/99/48/608149948.db2.gz PBRJGGURHFYNFB-UHFFFAOYSA-N -1 3 355.364 3.336 20 0 FGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)CCCC(F)(F)F ZINC000824293506 608149949 /nfs/dbraw/zinc/14/99/49/608149949.db2.gz PBRJGGURHFYNFB-UHFFFAOYSA-N -1 3 355.364 3.336 20 0 FGADHM Cc1cc([C@H]2CN(c3ccc(F)cc3-c3nnn[n-]3)CCO2)ccc1F ZINC000826266135 608151660 /nfs/dbraw/zinc/15/16/60/608151660.db2.gz CVVFBMHGVRFXEZ-QGZVFWFLSA-N -1 3 357.364 3.031 20 0 FGADHM Cc1cc([C@H]2CN(c3ccc(F)cc3-c3nn[n-]n3)CCO2)ccc1F ZINC000826266135 608151661 /nfs/dbraw/zinc/15/16/61/608151661.db2.gz CVVFBMHGVRFXEZ-QGZVFWFLSA-N -1 3 357.364 3.031 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1CON=C(N)c1cccc2ccccc21 ZINC000826184866 608152264 /nfs/dbraw/zinc/15/22/64/608152264.db2.gz NRILOQGSXQYPTD-UHFFFAOYSA-N -1 3 374.404 3.075 20 0 FGADHM Fc1cc(-c2nnn[n-]2)ccc1CSCc1ncn(-c2ccccc2)n1 ZINC000826372094 608155820 /nfs/dbraw/zinc/15/58/20/608155820.db2.gz HMSIZBFSFWXSMJ-UHFFFAOYSA-N -1 3 367.413 3.020 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1CSCc1ncn(-c2ccccc2)n1 ZINC000826372094 608155822 /nfs/dbraw/zinc/15/58/22/608155822.db2.gz HMSIZBFSFWXSMJ-UHFFFAOYSA-N -1 3 367.413 3.020 20 0 FGADHM Cc1cc([C@@H]2CN(Cc3cc(-c4nnn[n-]4)ccc3F)CCO2)ccc1F ZINC000826266529 608172531 /nfs/dbraw/zinc/17/25/31/608172531.db2.gz ROHBGNHFRTXSPH-SFHVURJKSA-N -1 3 371.391 3.027 20 0 FGADHM Cc1cc([C@@H]2CN(Cc3cc(-c4nn[n-]n4)ccc3F)CCO2)ccc1F ZINC000826266529 608172532 /nfs/dbraw/zinc/17/25/32/608172532.db2.gz ROHBGNHFRTXSPH-SFHVURJKSA-N -1 3 371.391 3.027 20 0 FGADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)[C@H](C)CC1CCCC1 ZINC000825787381 608175285 /nfs/dbraw/zinc/17/52/85/608175285.db2.gz FUCMMNBDZZZVPF-GFCCVEGCSA-N -1 3 367.457 3.391 20 0 FGADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)[C@H](C)CC1CCCC1 ZINC000825787381 608175288 /nfs/dbraw/zinc/17/52/88/608175288.db2.gz FUCMMNBDZZZVPF-GFCCVEGCSA-N -1 3 367.457 3.391 20 0 FGADHM CCCCS[C@H](C)C(=O)Nc1nc2cc(-c3nnn[n-]3)ccc2n1CC ZINC000825296624 608176958 /nfs/dbraw/zinc/17/69/58/608176958.db2.gz QQPLYURFHZFTKY-LLVKDONJSA-N -1 3 373.486 3.097 20 0 FGADHM CCCCS[C@H](C)C(=O)Nc1nc2cc(-c3nn[n-]n3)ccc2n1CC ZINC000825296624 608176959 /nfs/dbraw/zinc/17/69/59/608176959.db2.gz QQPLYURFHZFTKY-LLVKDONJSA-N -1 3 373.486 3.097 20 0 FGADHM CCO[C@@H](C(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000825576905 608182326 /nfs/dbraw/zinc/18/23/26/608182326.db2.gz QDBPGYAFUCWHEL-CXAGYDPISA-N -1 3 352.394 3.249 20 0 FGADHM CCO[C@@H](C(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000825576905 608182328 /nfs/dbraw/zinc/18/23/28/608182328.db2.gz QDBPGYAFUCWHEL-CXAGYDPISA-N -1 3 352.394 3.249 20 0 FGADHM C[C@@H](OC(=O)c1ncoc1-c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824728376 608183331 /nfs/dbraw/zinc/18/33/31/608183331.db2.gz FPNWGKXXWRHMKZ-GFCCVEGCSA-N -1 3 361.361 3.440 20 0 FGADHM C[C@@H](OC(=O)c1ncoc1-c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824728376 608183332 /nfs/dbraw/zinc/18/33/32/608183332.db2.gz FPNWGKXXWRHMKZ-GFCCVEGCSA-N -1 3 361.361 3.440 20 0 FGADHM CC(C)c1nn(C)c(Cl)c1C(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000824364355 608184836 /nfs/dbraw/zinc/18/48/36/608184836.db2.gz CHCIEUXBBGLUAX-SNVBAGLBSA-N -1 3 374.832 3.295 20 0 FGADHM CC(C)c1nn(C)c(Cl)c1C(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000824364355 608184838 /nfs/dbraw/zinc/18/48/38/608184838.db2.gz CHCIEUXBBGLUAX-SNVBAGLBSA-N -1 3 374.832 3.295 20 0 FGADHM COC(=O)C(=Cc1ccc(-c2nnn[n-]2)cc1)c1nc(C(C)(C)C)cs1 ZINC000826098430 608198412 /nfs/dbraw/zinc/19/84/12/608198412.db2.gz DXDWKNKPJWNQFU-UKTHLTGXSA-N -1 3 369.450 3.334 20 0 FGADHM COC(=O)C(=Cc1ccc(-c2nn[n-]n2)cc1)c1nc(C(C)(C)C)cs1 ZINC000826098430 608198414 /nfs/dbraw/zinc/19/84/14/608198414.db2.gz DXDWKNKPJWNQFU-UKTHLTGXSA-N -1 3 369.450 3.334 20 0 FGADHM c1cnn(-c2ccccc2CNc2ccc3cc(-c4nnn[n-]4)ccc3n2)c1 ZINC000826519863 608225835 /nfs/dbraw/zinc/22/58/35/608225835.db2.gz RJRWLVDSSLDYEP-UHFFFAOYSA-N -1 3 368.404 3.213 20 0 FGADHM c1cnn(-c2ccccc2CNc2ccc3cc(-c4nn[n-]n4)ccc3n2)c1 ZINC000826519863 608225837 /nfs/dbraw/zinc/22/58/37/608225837.db2.gz RJRWLVDSSLDYEP-UHFFFAOYSA-N -1 3 368.404 3.213 20 0 FGADHM c1ccc2c(c1)OCC[C@@H]2CNc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000826523888 608228017 /nfs/dbraw/zinc/22/80/17/608228017.db2.gz BBKLTZRIQRVPQD-OAHLLOKOSA-N -1 3 358.405 3.393 20 0 FGADHM c1ccc2c(c1)OCC[C@@H]2CNc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000826523888 608228018 /nfs/dbraw/zinc/22/80/18/608228018.db2.gz BBKLTZRIQRVPQD-OAHLLOKOSA-N -1 3 358.405 3.393 20 0 FGADHM OCC[C@@H](Nc1ccc2cc(-c3nnn[n-]3)ccc2n1)C1CCCCC1 ZINC000826509545 608229658 /nfs/dbraw/zinc/22/96/58/608229658.db2.gz YLFRGKLVJBDGEY-QGZVFWFLSA-N -1 3 352.442 3.158 20 0 FGADHM OCC[C@@H](Nc1ccc2cc(-c3nn[n-]n3)ccc2n1)C1CCCCC1 ZINC000826509545 608229660 /nfs/dbraw/zinc/22/96/60/608229660.db2.gz YLFRGKLVJBDGEY-QGZVFWFLSA-N -1 3 352.442 3.158 20 0 FGADHM C[C@@H](CNc1ccc2cc(-c3nnn[n-]3)ccc2n1)Oc1ccccc1F ZINC000824433455 608229733 /nfs/dbraw/zinc/22/97/33/608229733.db2.gz FFEWRJSHTRHEEP-LBPRGKRZSA-N -1 3 364.384 3.433 20 0 FGADHM C[C@@H](CNc1ccc2cc(-c3nn[n-]n3)ccc2n1)Oc1ccccc1F ZINC000824433455 608229735 /nfs/dbraw/zinc/22/97/35/608229735.db2.gz FFEWRJSHTRHEEP-LBPRGKRZSA-N -1 3 364.384 3.433 20 0 FGADHM CC(C)(CNc1ccc2cc(-c3nnn[n-]3)ccc2n1)[C@@H]1CCCCO1 ZINC000824157108 608233254 /nfs/dbraw/zinc/23/32/54/608233254.db2.gz AAHVLZRHKNPUMC-INIZCTEOSA-N -1 3 352.442 3.422 20 0 FGADHM CC(C)(CNc1ccc2cc(-c3nn[n-]n3)ccc2n1)[C@@H]1CCCCO1 ZINC000824157108 608233256 /nfs/dbraw/zinc/23/32/56/608233256.db2.gz AAHVLZRHKNPUMC-INIZCTEOSA-N -1 3 352.442 3.422 20 0 FGADHM COc1ccc([C@H](OC)[C@H](C)Nc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000826190315 608239708 /nfs/dbraw/zinc/23/97/08/608239708.db2.gz XIHXEKOGNQJZOO-APPDUMDISA-N -1 3 357.389 3.203 20 0 FGADHM COc1ccc([C@H](OC)[C@H](C)Nc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000826190315 608239709 /nfs/dbraw/zinc/23/97/09/608239709.db2.gz XIHXEKOGNQJZOO-APPDUMDISA-N -1 3 357.389 3.203 20 0 FGADHM O=S(=O)(CC1CCC1)Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826484781 608245032 /nfs/dbraw/zinc/24/50/32/608245032.db2.gz OYODHMKJSKFBGO-UHFFFAOYSA-N -1 3 370.434 3.042 20 0 FGADHM O=S(=O)(CC1CCC1)Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826484781 608245033 /nfs/dbraw/zinc/24/50/33/608245033.db2.gz OYODHMKJSKFBGO-UHFFFAOYSA-N -1 3 370.434 3.042 20 0 FGADHM CCc1ccc(C2=CCN(C(=O)c3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC000825705216 608246330 /nfs/dbraw/zinc/24/63/30/608246330.db2.gz YYWWJJSEARQTDT-UHFFFAOYSA-N -1 3 359.433 3.359 20 0 FGADHM CCc1ccc(C2=CCN(C(=O)c3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000825705216 608246332 /nfs/dbraw/zinc/24/63/32/608246332.db2.gz YYWWJJSEARQTDT-UHFFFAOYSA-N -1 3 359.433 3.359 20 0 FGADHM CC[C@H]1CC[C@H](C)N1C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000825191626 608261462 /nfs/dbraw/zinc/26/14/62/608261462.db2.gz DJQGWFIWOIADRH-ONGXEEELSA-N -1 3 366.372 3.263 20 0 FGADHM CC[C@H]1CC[C@H](C)N1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000825191626 608261464 /nfs/dbraw/zinc/26/14/64/608261464.db2.gz DJQGWFIWOIADRH-ONGXEEELSA-N -1 3 366.372 3.263 20 0 FGADHM Cc1cnc(NC(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)nc1 ZINC000826319078 608262338 /nfs/dbraw/zinc/26/23/38/608262338.db2.gz NNUXAKJJFOKAKF-UHFFFAOYSA-N -1 3 373.376 3.010 20 0 FGADHM CC[C@H]1CC[C@H](C)N1C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000825192454 608269446 /nfs/dbraw/zinc/26/94/46/608269446.db2.gz GZJRNLKZQKZVNP-JSGCOSHPSA-N -1 3 358.446 3.449 20 0 FGADHM CC[C@H]1CC[C@H](C)N1C(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000825192454 608269448 /nfs/dbraw/zinc/26/94/48/608269448.db2.gz GZJRNLKZQKZVNP-JSGCOSHPSA-N -1 3 358.446 3.449 20 0 FGADHM Cc1cc(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)nn1-c1ccccc1 ZINC000826269179 608271103 /nfs/dbraw/zinc/27/11/03/608271103.db2.gz COJKCPFQWISDRM-VAWYXSNFSA-N -1 3 371.404 3.013 20 0 FGADHM Cc1cc(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)nn1-c1ccccc1 ZINC000826269179 608271106 /nfs/dbraw/zinc/27/11/06/608271106.db2.gz COJKCPFQWISDRM-VAWYXSNFSA-N -1 3 371.404 3.013 20 0 FGADHM COc1ccc(CNC(=O)Nc2ccc(C3CC3)cc2)cc1-c1nnn[n-]1 ZINC000826200142 608273163 /nfs/dbraw/zinc/27/31/63/608273163.db2.gz ABSUYXAHNVPOFW-UHFFFAOYSA-N -1 3 364.409 3.074 20 0 FGADHM COc1ccc(CNC(=O)Nc2ccc(C3CC3)cc2)cc1-c1nn[n-]n1 ZINC000826200142 608273164 /nfs/dbraw/zinc/27/31/64/608273164.db2.gz ABSUYXAHNVPOFW-UHFFFAOYSA-N -1 3 364.409 3.074 20 0 FGADHM CC[C@H](C)C(=O)Nc1cccc(CNc2nc(C)ccc2-c2nnn[n-]2)c1 ZINC000825050091 608275291 /nfs/dbraw/zinc/27/52/91/608275291.db2.gz GPJQOKKIZMZGPZ-LBPRGKRZSA-N -1 3 365.441 3.167 20 0 FGADHM CC[C@H](C)C(=O)Nc1cccc(CNc2nc(C)ccc2-c2nn[n-]n2)c1 ZINC000825050091 608275292 /nfs/dbraw/zinc/27/52/92/608275292.db2.gz GPJQOKKIZMZGPZ-LBPRGKRZSA-N -1 3 365.441 3.167 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)c(NC[C@@H]2CCCO[C@@H]2c2ccccc2)n1 ZINC000826276243 608278945 /nfs/dbraw/zinc/27/89/45/608278945.db2.gz YKURSLFFLMBDGY-DOTOQJQBSA-N -1 3 350.426 3.150 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)c(NC[C@@H]2CCCO[C@@H]2c2ccccc2)n1 ZINC000826276243 608278947 /nfs/dbraw/zinc/27/89/47/608278947.db2.gz YKURSLFFLMBDGY-DOTOQJQBSA-N -1 3 350.426 3.150 20 0 FGADHM COCCSc1ccc([C@@H](C)Nc2nc(C)ccc2-c2nnn[n-]2)cc1 ZINC000826163424 608282931 /nfs/dbraw/zinc/28/29/31/608282931.db2.gz UFODFXBXLBILJZ-CYBMUJFWSA-N -1 3 370.482 3.482 20 0 FGADHM COCCSc1ccc([C@@H](C)Nc2nc(C)ccc2-c2nn[n-]n2)cc1 ZINC000826163424 608282934 /nfs/dbraw/zinc/28/29/34/608282934.db2.gz UFODFXBXLBILJZ-CYBMUJFWSA-N -1 3 370.482 3.482 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)c(NC[C@H](O)c2ccc(C(C)(C)C)cc2)n1 ZINC000826275486 608288730 /nfs/dbraw/zinc/28/87/30/608288730.db2.gz AWHMTIIKENDFNE-INIZCTEOSA-N -1 3 352.442 3.013 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)c(NC[C@H](O)c2ccc(C(C)(C)C)cc2)n1 ZINC000826275486 608288732 /nfs/dbraw/zinc/28/87/32/608288732.db2.gz AWHMTIIKENDFNE-INIZCTEOSA-N -1 3 352.442 3.013 20 0 FGADHM CCCCNC(=S)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000825290609 608289550 /nfs/dbraw/zinc/28/95/50/608289550.db2.gz BEDQMFTVJUBLQS-UHFFFAOYSA-N -1 3 366.494 3.298 20 0 FGADHM CCCCNC(=S)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000825290609 608289552 /nfs/dbraw/zinc/28/95/52/608289552.db2.gz BEDQMFTVJUBLQS-UHFFFAOYSA-N -1 3 366.494 3.298 20 0 FGADHM Fc1ccc([C@@H]2CCN(c3nc4c(cc3-c3nnn[n-]3)CCCC4)C2)cc1 ZINC000826374367 608295799 /nfs/dbraw/zinc/29/57/99/608295799.db2.gz WRZCLMXEJGXWSF-OAHLLOKOSA-N -1 3 364.428 3.274 20 0 FGADHM Fc1ccc([C@@H]2CCN(c3nc4c(cc3-c3nn[n-]n3)CCCC4)C2)cc1 ZINC000826374367 608295801 /nfs/dbraw/zinc/29/58/01/608295801.db2.gz WRZCLMXEJGXWSF-OAHLLOKOSA-N -1 3 364.428 3.274 20 0 FGADHM COc1ccccc1[C@@H](Nc1nc(C)ccc1-c1nnn[n-]1)c1ccccn1 ZINC000826218396 608301286 /nfs/dbraw/zinc/30/12/86/608301286.db2.gz ASGSZAKJHFPTDG-GOSISDBHSA-N -1 3 373.420 3.175 20 0 FGADHM COc1ccccc1[C@@H](Nc1nc(C)ccc1-c1nn[n-]n1)c1ccccn1 ZINC000826218396 608301287 /nfs/dbraw/zinc/30/12/87/608301287.db2.gz ASGSZAKJHFPTDG-GOSISDBHSA-N -1 3 373.420 3.175 20 0 FGADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1ccc(COc2ccccc2)cc1 ZINC000826358149 608309165 /nfs/dbraw/zinc/30/91/65/608309165.db2.gz HKMDVLMASFEOHF-UHFFFAOYSA-N -1 3 374.404 3.037 20 0 FGADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1ccc(COc2ccccc2)cc1 ZINC000826358149 608309167 /nfs/dbraw/zinc/30/91/67/608309167.db2.gz HKMDVLMASFEOHF-UHFFFAOYSA-N -1 3 374.404 3.037 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1CNc1c(F)cccc1N1CCCC1 ZINC000826170578 608320609 /nfs/dbraw/zinc/32/06/09/608320609.db2.gz GMFICOWSQFYNAV-UHFFFAOYSA-N -1 3 368.416 3.227 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1CNc1c(F)cccc1N1CCCC1 ZINC000826170578 608320610 /nfs/dbraw/zinc/32/06/10/608320610.db2.gz GMFICOWSQFYNAV-UHFFFAOYSA-N -1 3 368.416 3.227 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1CNc1cc(Cl)ccc1NC(C)=O ZINC000826170899 608320635 /nfs/dbraw/zinc/32/06/35/608320635.db2.gz UFOHVVTZZPZQQE-UHFFFAOYSA-N -1 3 372.816 3.099 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1CNc1cc(Cl)ccc1NC(C)=O ZINC000826170899 608320637 /nfs/dbraw/zinc/32/06/37/608320637.db2.gz UFOHVVTZZPZQQE-UHFFFAOYSA-N -1 3 372.816 3.099 20 0 FGADHM Cc1noc(C)c1C(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000826338286 608328255 /nfs/dbraw/zinc/32/82/55/608328255.db2.gz QALRVDPUKWWYGO-UHFFFAOYSA-N -1 3 374.404 3.069 20 0 FGADHM Cc1noc(C)c1C(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000826338286 608328257 /nfs/dbraw/zinc/32/82/57/608328257.db2.gz QALRVDPUKWWYGO-UHFFFAOYSA-N -1 3 374.404 3.069 20 0 FGADHM CCN(C(=O)CCC1CCOCC1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825371569 608343887 /nfs/dbraw/zinc/34/38/87/608343887.db2.gz IQXNWOPOMZPNSE-UHFFFAOYSA-N -1 3 363.849 3.080 20 0 FGADHM CCN(C(=O)CCC1CCOCC1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825371569 608343889 /nfs/dbraw/zinc/34/38/89/608343889.db2.gz IQXNWOPOMZPNSE-UHFFFAOYSA-N -1 3 363.849 3.080 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)C=C(C)c1ccc(F)cc1 ZINC000826171320 608349112 /nfs/dbraw/zinc/34/91/12/608349112.db2.gz JQABSBXQMLVFPU-FMIVXFBMSA-N -1 3 368.368 3.161 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)C=C(C)c1ccc(F)cc1 ZINC000826171320 608349114 /nfs/dbraw/zinc/34/91/14/608349114.db2.gz JQABSBXQMLVFPU-FMIVXFBMSA-N -1 3 368.368 3.161 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)c1ccc(Cl)c(F)c1 ZINC000826172657 608374645 /nfs/dbraw/zinc/37/46/45/608374645.db2.gz QSYWKIYYJAHMQT-UHFFFAOYSA-N -1 3 362.748 3.025 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)c1ccc(Cl)c(F)c1 ZINC000826172657 608374646 /nfs/dbraw/zinc/37/46/46/608374646.db2.gz QSYWKIYYJAHMQT-UHFFFAOYSA-N -1 3 362.748 3.025 20 0 FGADHM C[C@@H](c1ccccn1)N(C)c1ccc(-c2nn[n-]n2)cc1Br ZINC000824770105 608375323 /nfs/dbraw/zinc/37/53/23/608375323.db2.gz DYMAJLLFLWNCKO-JTQLQIEISA-N -1 3 359.231 3.222 20 0 FGADHM CCOc1ccccc1CCC(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000825653991 608436328 /nfs/dbraw/zinc/43/63/28/608436328.db2.gz MGAWRXMJCZFAPM-UHFFFAOYSA-N -1 3 370.384 3.081 20 0 FGADHM CCOc1ccccc1CCC(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000825653991 608436330 /nfs/dbraw/zinc/43/63/30/608436330.db2.gz MGAWRXMJCZFAPM-UHFFFAOYSA-N -1 3 370.384 3.081 20 0 FGADHM CC(C)(C)Oc1cccc(CNc2c(F)cc(-c3nnn[n-]3)cc2F)n1 ZINC000824124191 608439214 /nfs/dbraw/zinc/43/92/14/608439214.db2.gz PUCVXQKHUHKQLS-UHFFFAOYSA-N -1 3 360.368 3.329 20 0 FGADHM CC(C)(C)Oc1cccc(CNc2c(F)cc(-c3nn[n-]n3)cc2F)n1 ZINC000824124191 608439216 /nfs/dbraw/zinc/43/92/16/608439216.db2.gz PUCVXQKHUHKQLS-UHFFFAOYSA-N -1 3 360.368 3.329 20 0 FGADHM CCCc1nc(C)c(C(=O)OCc2cccc(-c3nnn[n-]3)c2F)s1 ZINC000825352869 608440997 /nfs/dbraw/zinc/44/09/97/608440997.db2.gz RDAKINQJHYDQMM-UHFFFAOYSA-N -1 3 361.402 3.080 20 0 FGADHM CCCc1nc(C)c(C(=O)OCc2cccc(-c3nn[n-]n3)c2F)s1 ZINC000825352869 608440998 /nfs/dbraw/zinc/44/09/98/608440998.db2.gz RDAKINQJHYDQMM-UHFFFAOYSA-N -1 3 361.402 3.080 20 0 FGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000826465950 608443670 /nfs/dbraw/zinc/44/36/70/608443670.db2.gz JRXNJGKFICEHPN-KOLCDFICSA-N -1 3 372.322 3.418 20 0 FGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000826465950 608443672 /nfs/dbraw/zinc/44/36/72/608443672.db2.gz JRXNJGKFICEHPN-KOLCDFICSA-N -1 3 372.322 3.418 20 0 FGADHM Cc1c(C(=O)OCc2cccc(-c3nnn[n-]3)c2F)cnc2ccccc12 ZINC000826234745 608451393 /nfs/dbraw/zinc/45/13/93/608451393.db2.gz LXSKSNPYJSCBFL-UHFFFAOYSA-N -1 3 363.352 3.219 20 0 FGADHM Cc1c(C(=O)OCc2cccc(-c3nn[n-]n3)c2F)cnc2ccccc12 ZINC000826234745 608451395 /nfs/dbraw/zinc/45/13/95/608451395.db2.gz LXSKSNPYJSCBFL-UHFFFAOYSA-N -1 3 363.352 3.219 20 0 FGADHM Cc1ccsc1[C@H]1C[C@@H]1C(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826316388 608453633 /nfs/dbraw/zinc/45/36/33/608453633.db2.gz MPOYDZKFGQMVQT-STQMWFEESA-N -1 3 358.398 3.223 20 0 FGADHM Cc1ccsc1[C@H]1C[C@@H]1C(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826316388 608453634 /nfs/dbraw/zinc/45/36/34/608453634.db2.gz MPOYDZKFGQMVQT-STQMWFEESA-N -1 3 358.398 3.223 20 0 FGADHM Cc1ccccc1-c1noc(CN[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826305296 608460578 /nfs/dbraw/zinc/46/05/78/608460578.db2.gz QXXQKDQAJOJMDV-ZDUSSCGKSA-N -1 3 361.409 3.076 20 0 FGADHM Cc1ccccc1-c1noc(CN[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826305296 608460580 /nfs/dbraw/zinc/46/05/80/608460580.db2.gz QXXQKDQAJOJMDV-ZDUSSCGKSA-N -1 3 361.409 3.076 20 0 FGADHM O=C(N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1)C1(c2ccccc2)CC1 ZINC000826425755 608479338 /nfs/dbraw/zinc/47/93/38/608479338.db2.gz RQAPOLABBSJKGP-UHFFFAOYSA-N -1 3 371.444 3.214 20 0 FGADHM O=C(N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1)C1(c2ccccc2)CC1 ZINC000826425755 608479339 /nfs/dbraw/zinc/47/93/39/608479339.db2.gz RQAPOLABBSJKGP-UHFFFAOYSA-N -1 3 371.444 3.214 20 0 FGADHM COc1ccc(CN(C)Cc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1OC ZINC000826193247 608526650 /nfs/dbraw/zinc/52/66/50/608526650.db2.gz WQFWLQALKLFMLU-UHFFFAOYSA-N -1 3 373.844 3.169 20 0 FGADHM c1ccc2c(c1)ncc(-c1nnn[n-]1)c2N1CCC(c2cccnc2)CC1 ZINC000826525512 608554394 /nfs/dbraw/zinc/55/43/94/608554394.db2.gz NIGWODWNSWBCBZ-UHFFFAOYSA-N -1 3 357.421 3.194 20 0 FGADHM c1ccc2c(c1)ncc(-c1nn[n-]n1)c2N1CCC(c2cccnc2)CC1 ZINC000826525512 608554395 /nfs/dbraw/zinc/55/43/95/608554395.db2.gz NIGWODWNSWBCBZ-UHFFFAOYSA-N -1 3 357.421 3.194 20 0 FGADHM CC(C)[C@H](O)C1(CNc2ccc(C(F)(F)F)cc2-c2nnn[n-]2)CC1 ZINC000824201055 608586206 /nfs/dbraw/zinc/58/62/06/608586206.db2.gz XERTWYSEZWBYLY-ZDUSSCGKSA-N -1 3 355.364 3.095 20 0 FGADHM CC(C)[C@H](O)C1(CNc2ccc(C(F)(F)F)cc2-c2nn[n-]n2)CC1 ZINC000824201055 608586208 /nfs/dbraw/zinc/58/62/08/608586208.db2.gz XERTWYSEZWBYLY-ZDUSSCGKSA-N -1 3 355.364 3.095 20 0 FGADHM CC1(C)CC[C@@H](NC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)C1 ZINC000824801766 608599194 /nfs/dbraw/zinc/59/91/94/608599194.db2.gz IQSSUUYXXKCTNC-SNVBAGLBSA-N -1 3 366.372 3.168 20 0 FGADHM CC1(C)CC[C@@H](NC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)C1 ZINC000824801766 608599195 /nfs/dbraw/zinc/59/91/95/608599195.db2.gz IQSSUUYXXKCTNC-SNVBAGLBSA-N -1 3 366.372 3.168 20 0 FGADHM CC1(C)CC[C@@H](NC(=O)c2c(Cl)cc(-c3nnn[n-]3)cc2Cl)C1 ZINC000824804067 608639140 /nfs/dbraw/zinc/63/91/40/608639140.db2.gz ZRCPWHBAUKMMJR-SECBINFHSA-N -1 3 354.241 3.482 20 0 FGADHM CC1(C)CC[C@@H](NC(=O)c2c(Cl)cc(-c3nn[n-]n3)cc2Cl)C1 ZINC000824804067 608639143 /nfs/dbraw/zinc/63/91/43/608639143.db2.gz ZRCPWHBAUKMMJR-SECBINFHSA-N -1 3 354.241 3.482 20 0 FGADHM Cc1ccccc1-n1cnnc1SCc1cccc(-c2nnn[n-]2)c1F ZINC000826306409 608669466 /nfs/dbraw/zinc/66/94/66/608669466.db2.gz XZWOPMHLJFLNRK-UHFFFAOYSA-N -1 3 367.413 3.187 20 0 FGADHM Cc1ccccc1-n1cnnc1SCc1cccc(-c2nn[n-]n2)c1F ZINC000826306409 608669467 /nfs/dbraw/zinc/66/94/67/608669467.db2.gz XZWOPMHLJFLNRK-UHFFFAOYSA-N -1 3 367.413 3.187 20 0 FGADHM Cc1ccccc1[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)s2)[C@H](C)CO1 ZINC000826306871 608721355 /nfs/dbraw/zinc/72/13/55/608721355.db2.gz OGKFJELKNNKAEK-CJNGLKHVSA-N -1 3 355.467 3.199 20 0 FGADHM Cc1ccccc1[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)[C@H](C)CO1 ZINC000826306871 608721357 /nfs/dbraw/zinc/72/13/57/608721357.db2.gz OGKFJELKNNKAEK-CJNGLKHVSA-N -1 3 355.467 3.199 20 0 FGADHM c1ccc2c(c1)CCC[C@H]2OCCCNc1cnccc1-c1nnn[n-]1 ZINC000826523271 608785825 /nfs/dbraw/zinc/78/58/25/608785825.db2.gz HFOCAIPZSPJRIK-GOSISDBHSA-N -1 3 350.426 3.158 20 0 FGADHM c1ccc2c(c1)CCC[C@H]2OCCCNc1cnccc1-c1nn[n-]n1 ZINC000826523271 608785827 /nfs/dbraw/zinc/78/58/27/608785827.db2.gz HFOCAIPZSPJRIK-GOSISDBHSA-N -1 3 350.426 3.158 20 0 FGADHM FC(F)(F)CSCCNc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000826367615 608799358 /nfs/dbraw/zinc/79/93/58/608799358.db2.gz HCIKLWHSPPTLPB-UHFFFAOYSA-N -1 3 354.361 3.122 20 0 FGADHM FC(F)(F)CSCCNc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000826367615 608799362 /nfs/dbraw/zinc/79/93/62/608799362.db2.gz HCIKLWHSPPTLPB-UHFFFAOYSA-N -1 3 354.361 3.122 20 0 FGADHM C[C@@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000825012837 608824879 /nfs/dbraw/zinc/82/48/79/608824879.db2.gz MHESEXPMTRDKNO-OLZOCXBDSA-N -1 3 365.412 3.083 20 0 FGADHM C[C@@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000825012837 608824881 /nfs/dbraw/zinc/82/48/81/608824881.db2.gz MHESEXPMTRDKNO-OLZOCXBDSA-N -1 3 365.412 3.083 20 0 FGADHM C/C(=C/c1ccccc1)CN1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000823943391 608852062 /nfs/dbraw/zinc/85/20/62/608852062.db2.gz PNZMWOAJWXPOJE-VMTBQTDASA-N -1 3 361.449 3.344 20 0 FGADHM C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000824911064 609137715 /nfs/dbraw/zinc/13/77/15/609137715.db2.gz ZZFLHQPIXPZWPU-YIGWZEFJSA-N -1 3 365.359 3.069 20 0 FGADHM C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000824911064 609137716 /nfs/dbraw/zinc/13/77/16/609137716.db2.gz ZZFLHQPIXPZWPU-YIGWZEFJSA-N -1 3 365.359 3.069 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCC[C@H]1/C=C\c1ccccc1 ZINC000826245475 609138359 /nfs/dbraw/zinc/13/83/59/609138359.db2.gz ZDCUGSJIBSXBSO-FYGXRCCRSA-N -1 3 359.433 3.493 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCC[C@H]1/C=C\c1ccccc1 ZINC000826245475 609138361 /nfs/dbraw/zinc/13/83/61/609138361.db2.gz ZDCUGSJIBSXBSO-FYGXRCCRSA-N -1 3 359.433 3.493 20 0 FGADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)[C@H](C)C2CC2)c1-c1nnn[n-]1 ZINC000826233326 609165998 /nfs/dbraw/zinc/16/59/98/609165998.db2.gz CLIMHXQHGACUDW-GFCCVEGCSA-N -1 3 350.426 3.259 20 0 FGADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)[C@H](C)C2CC2)c1-c1nn[n-]n1 ZINC000826233326 609166000 /nfs/dbraw/zinc/16/60/00/609166000.db2.gz CLIMHXQHGACUDW-GFCCVEGCSA-N -1 3 350.426 3.259 20 0 FGADHM c1cc2c(ccnc2NCc2nc(-c3cccc(-c4nnn[n-]4)c3)c[nH]2)s1 ZINC000826512829 609166968 /nfs/dbraw/zinc/16/69/68/609166968.db2.gz QDSZFNGPCNSOSF-UHFFFAOYSA-N -1 3 374.433 3.479 20 0 FGADHM c1cc2c(ccnc2NCc2nc(-c3cccc(-c4nn[n-]n4)c3)c[nH]2)s1 ZINC000826512829 609166970 /nfs/dbraw/zinc/16/69/70/609166970.db2.gz QDSZFNGPCNSOSF-UHFFFAOYSA-N -1 3 374.433 3.479 20 0 FGADHM CCNc1ccc(-c2nn[n-]n2)cc1NCc1noc(C2CCCCC2)n1 ZINC000825481347 609178357 /nfs/dbraw/zinc/17/83/57/609178357.db2.gz XLRKIFAINKUPMJ-UHFFFAOYSA-N -1 3 368.445 3.341 20 0 FGADHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N(Cc1cccs1)Cc1cccs1 ZINC000826468952 609191596 /nfs/dbraw/zinc/19/15/96/609191596.db2.gz OGVMOVVBKYPFLQ-UHFFFAOYSA-N -1 3 370.463 3.160 20 0 FGADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N(Cc1cccs1)Cc1cccs1 ZINC000826468952 609191597 /nfs/dbraw/zinc/19/15/97/609191597.db2.gz OGVMOVVBKYPFLQ-UHFFFAOYSA-N -1 3 370.463 3.160 20 0 FGADHM CC(C)CCc1ccccc1NC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824249008 609214271 /nfs/dbraw/zinc/21/42/71/609214271.db2.gz GPEPDEXFSFYKGW-GOSISDBHSA-N -1 3 365.437 3.127 20 0 FGADHM CC(C)CCc1ccccc1NC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824249008 609214272 /nfs/dbraw/zinc/21/42/72/609214272.db2.gz GPEPDEXFSFYKGW-GOSISDBHSA-N -1 3 365.437 3.127 20 0 FGADHM CC(=O)c1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)c(F)c1 ZINC000824019968 609236399 /nfs/dbraw/zinc/23/63/99/609236399.db2.gz WKUKZHXMMBDOOJ-UHFFFAOYSA-N -1 3 359.748 3.114 20 0 FGADHM CC(=O)c1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)c(F)c1 ZINC000824019968 609236400 /nfs/dbraw/zinc/23/64/00/609236400.db2.gz WKUKZHXMMBDOOJ-UHFFFAOYSA-N -1 3 359.748 3.114 20 0 FGADHM CC(C)CCC[C@@H](C)Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1 ZINC000824244828 609239974 /nfs/dbraw/zinc/23/99/74/609239974.db2.gz UQCWRFRNEGWNNP-OAHLLOKOSA-N -1 3 372.517 3.455 20 0 FGADHM CC(C)CCC[C@@H](C)Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1 ZINC000824244828 609239976 /nfs/dbraw/zinc/23/99/76/609239976.db2.gz UQCWRFRNEGWNNP-OAHLLOKOSA-N -1 3 372.517 3.455 20 0 FGADHM C[C@@H](OC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)c1cccs1 ZINC000824715969 609256353 /nfs/dbraw/zinc/25/63/53/609256353.db2.gz VTIUCGMTEQMZNZ-DOMZBBRYSA-N -1 3 369.450 3.201 20 0 FGADHM Cc1ccc(N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1N1CCOC1=O ZINC000826291486 609270896 /nfs/dbraw/zinc/27/08/96/609270896.db2.gz IUFZQLUJZQDPSU-ZDUSSCGKSA-N -1 3 364.409 3.305 20 0 FGADHM Cc1ccc(N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1N1CCOC1=O ZINC000826291486 609270897 /nfs/dbraw/zinc/27/08/97/609270897.db2.gz IUFZQLUJZQDPSU-ZDUSSCGKSA-N -1 3 364.409 3.305 20 0 FGADHM COCCOc1ccc(F)cc1N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826162564 609276950 /nfs/dbraw/zinc/27/69/50/609276950.db2.gz ILDNDTJVBHPRIG-LBPRGKRZSA-N -1 3 357.389 3.204 20 0 FGADHM COCCOc1ccc(F)cc1N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826162564 609276953 /nfs/dbraw/zinc/27/69/53/609276953.db2.gz ILDNDTJVBHPRIG-LBPRGKRZSA-N -1 3 357.389 3.204 20 0 FGADHM COCCOc1ccccc1N[C@@H](C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826163507 609277045 /nfs/dbraw/zinc/27/70/45/609277045.db2.gz XPOAYCKNVGAJOF-LBPRGKRZSA-N -1 3 357.389 3.204 20 0 FGADHM COCCOc1ccccc1N[C@@H](C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826163507 609277047 /nfs/dbraw/zinc/27/70/47/609277047.db2.gz XPOAYCKNVGAJOF-LBPRGKRZSA-N -1 3 357.389 3.204 20 0 FGADHM COc1cc(OC)c(OC)cc1N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826181208 609279721 /nfs/dbraw/zinc/27/97/21/609279721.db2.gz POOQCKHOKJXOMR-NSHDSACASA-N -1 3 355.398 3.066 20 0 FGADHM COc1cc(OC)c(OC)cc1N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826181208 609279722 /nfs/dbraw/zinc/27/97/22/609279722.db2.gz POOQCKHOKJXOMR-NSHDSACASA-N -1 3 355.398 3.066 20 0 FGADHM CC(C)(C)c1ccc2c(c1)CN(C(=O)c1cc(-c3nnn[n-]3)cs1)CC2 ZINC000824135204 609283210 /nfs/dbraw/zinc/28/32/10/609283210.db2.gz BWKKPKSAVTZPIU-UHFFFAOYSA-N -1 3 367.478 3.424 20 0 FGADHM CC(C)(C)c1ccc2c(c1)CN(C(=O)c1cc(-c3nn[n-]n3)cs1)CC2 ZINC000824135204 609283212 /nfs/dbraw/zinc/28/32/12/609283212.db2.gz BWKKPKSAVTZPIU-UHFFFAOYSA-N -1 3 367.478 3.424 20 0 FGADHM O=C(NCc1cc2ccccc2o1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826440230 609298977 /nfs/dbraw/zinc/29/89/77/609298977.db2.gz DZVRSCWVCYYUIG-UHFFFAOYSA-N -1 3 353.769 3.196 20 0 FGADHM O=C(NCc1cc2ccccc2o1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826440230 609298978 /nfs/dbraw/zinc/29/89/78/609298978.db2.gz DZVRSCWVCYYUIG-UHFFFAOYSA-N -1 3 353.769 3.196 20 0 FGADHM COCCC[C@@H](C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@H](C)C2 ZINC000826155632 609304289 /nfs/dbraw/zinc/30/42/89/609304289.db2.gz WTQZTOCUIAUVNK-WDEREUQCSA-N -1 3 363.487 3.054 20 0 FGADHM COCCC[C@@H](C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@H](C)C2 ZINC000826155632 609304291 /nfs/dbraw/zinc/30/42/91/609304291.db2.gz WTQZTOCUIAUVNK-WDEREUQCSA-N -1 3 363.487 3.054 20 0 FGADHM Cc1nnc(SCc2ccccc2OC(C)C)c(-c2nnn[n-]2)c1C ZINC000826337498 609307559 /nfs/dbraw/zinc/30/75/59/609307559.db2.gz QLWATKLGTCQAPX-UHFFFAOYSA-N -1 3 356.455 3.353 20 0 FGADHM Cc1nnc(SCc2ccccc2OC(C)C)c(-c2nn[n-]n2)c1C ZINC000826337498 609307560 /nfs/dbraw/zinc/30/75/60/609307560.db2.gz QLWATKLGTCQAPX-UHFFFAOYSA-N -1 3 356.455 3.353 20 0 FGADHM Cc1nnc(SCc2nc(C(C)(C)C)cs2)c(-c2nnn[n-]2)c1C ZINC000826337621 609307791 /nfs/dbraw/zinc/30/77/91/609307791.db2.gz UYYFOLUORNOGGL-UHFFFAOYSA-N -1 3 361.500 3.320 20 0 FGADHM Cc1nnc(SCc2nc(C(C)(C)C)cs2)c(-c2nn[n-]n2)c1C ZINC000826337621 609307793 /nfs/dbraw/zinc/30/77/93/609307793.db2.gz UYYFOLUORNOGGL-UHFFFAOYSA-N -1 3 361.500 3.320 20 0 FGADHM Cc1ccc(CNc2cc(Cl)ccc2-c2nn[n-]n2)c(N2CCCC2)n1 ZINC000826288752 609313657 /nfs/dbraw/zinc/31/36/57/609313657.db2.gz VCBQBYHUIFFFBQ-UHFFFAOYSA-N -1 3 369.860 3.436 20 0 FGADHM CC(C)(C)C[C@@H](NC(=O)CCc1ccc(-c2nnn[n-]2)cc1)C(F)(F)F ZINC000824085918 609321377 /nfs/dbraw/zinc/32/13/77/609321377.db2.gz HXJQEEPLGAFTRE-CYBMUJFWSA-N -1 3 369.391 3.283 20 0 FGADHM CC(C)(C)C[C@@H](NC(=O)CCc1ccc(-c2nn[n-]n2)cc1)C(F)(F)F ZINC000824085918 609321379 /nfs/dbraw/zinc/32/13/79/609321379.db2.gz HXJQEEPLGAFTRE-CYBMUJFWSA-N -1 3 369.391 3.283 20 0 FGADHM Cc1cc(NC(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)ncn1 ZINC000826270468 609324612 /nfs/dbraw/zinc/32/46/12/609324612.db2.gz BHTSXNNKNMBGTG-UHFFFAOYSA-N -1 3 373.376 3.010 20 0 FGADHM Cc1cc(NC(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)ncn1 ZINC000826270468 609324614 /nfs/dbraw/zinc/32/46/14/609324614.db2.gz BHTSXNNKNMBGTG-UHFFFAOYSA-N -1 3 373.376 3.010 20 0 FGADHM Cc1cc(CSCc2ccc(-c3nnn[n-]3)cc2Br)no1 ZINC000826267376 609329497 /nfs/dbraw/zinc/32/94/97/609329497.db2.gz CMMSLTWZHIMWAG-UHFFFAOYSA-N -1 3 366.244 3.359 20 0 FGADHM Cc1cc(CSCc2ccc(-c3nn[n-]n3)cc2Br)no1 ZINC000826267376 609329499 /nfs/dbraw/zinc/32/94/99/609329499.db2.gz CMMSLTWZHIMWAG-UHFFFAOYSA-N -1 3 366.244 3.359 20 0 FGADHM CCCC1(C(=O)OCc2ccc(-c3nnn[n-]3)cc2Br)CC1 ZINC000825247163 609348052 /nfs/dbraw/zinc/34/80/52/609348052.db2.gz BMWCPCJMCORQDG-UHFFFAOYSA-N -1 3 365.231 3.253 20 0 FGADHM CCCC1(C(=O)OCc2ccc(-c3nn[n-]n3)cc2Br)CC1 ZINC000825247163 609348054 /nfs/dbraw/zinc/34/80/54/609348054.db2.gz BMWCPCJMCORQDG-UHFFFAOYSA-N -1 3 365.231 3.253 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N[C@@H](CC1CCC1)c1ccccc1 ZINC000826422661 609350493 /nfs/dbraw/zinc/35/04/93/609350493.db2.gz HMFRZVXASHPQGK-IBGZPJMESA-N -1 3 361.449 3.457 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N[C@@H](CC1CCC1)c1ccccc1 ZINC000826422661 609350495 /nfs/dbraw/zinc/35/04/95/609350495.db2.gz HMFRZVXASHPQGK-IBGZPJMESA-N -1 3 361.449 3.457 20 0 FGADHM Cc1sc(NC(=O)C[C@@H]2CCO[C@@H](C(C)C)C2)c(-c2nnn[n-]2)c1C ZINC000826349628 609372499 /nfs/dbraw/zinc/37/24/99/609372499.db2.gz OFZSTPKNJZPKGW-CHWSQXEVSA-N -1 3 363.487 3.325 20 0 FGADHM Cc1sc(NC(=O)C[C@@H]2CCO[C@@H](C(C)C)C2)c(-c2nn[n-]n2)c1C ZINC000826349628 609372502 /nfs/dbraw/zinc/37/25/02/609372502.db2.gz OFZSTPKNJZPKGW-CHWSQXEVSA-N -1 3 363.487 3.325 20 0 FGADHM C[C@@H]1CCN(C(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)C[C@H]1F ZINC000824953600 609398979 /nfs/dbraw/zinc/39/89/79/609398979.db2.gz GJQINDLGAVQJNE-FZKQIMNGSA-N -1 3 365.412 3.354 20 0 FGADHM C[C@@H]1CCN(C(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)C[C@H]1F ZINC000824953600 609398982 /nfs/dbraw/zinc/39/89/82/609398982.db2.gz GJQINDLGAVQJNE-FZKQIMNGSA-N -1 3 365.412 3.354 20 0 FGADHM O=C(N[C@@]1(C(F)(F)F)CCc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000826427711 609407115 /nfs/dbraw/zinc/40/71/15/609407115.db2.gz XWWDSCTZKRTBII-KRWDZBQOSA-N -1 3 373.338 3.001 20 0 FGADHM O=C(N[C@@]1(C(F)(F)F)CCc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000826427711 609407117 /nfs/dbraw/zinc/40/71/17/609407117.db2.gz XWWDSCTZKRTBII-KRWDZBQOSA-N -1 3 373.338 3.001 20 0 FGADHM CCCOc1ccc(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)cc1OCCC ZINC000825338714 609407965 /nfs/dbraw/zinc/40/79/65/609407965.db2.gz FYLRZHLIXBWWIX-UHFFFAOYSA-N -1 3 370.413 3.025 20 0 FGADHM CCCOc1ccc(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)cc1OCCC ZINC000825338714 609407966 /nfs/dbraw/zinc/40/79/66/609407966.db2.gz FYLRZHLIXBWWIX-UHFFFAOYSA-N -1 3 370.413 3.025 20 0 FGADHM Fc1ccc(-c2nnc(SCc3ccc(-c4nnn[n-]4)cc3)o2)cc1 ZINC000826372777 609414803 /nfs/dbraw/zinc/41/48/03/609414803.db2.gz LFUZJPDNICRSAV-UHFFFAOYSA-N -1 3 354.370 3.348 20 0 FGADHM Fc1ccc(-c2nnc(SCc3ccc(-c4nn[n-]n4)cc3)o2)cc1 ZINC000826372777 609414806 /nfs/dbraw/zinc/41/48/06/609414806.db2.gz LFUZJPDNICRSAV-UHFFFAOYSA-N -1 3 354.370 3.348 20 0 FGADHM CCOc1cc(Cl)ccc1C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825615788 609424983 /nfs/dbraw/zinc/42/49/83/609424983.db2.gz KVLOVSVZZBYXQD-LLVKDONJSA-N -1 3 371.828 3.410 20 0 FGADHM CCOc1cc(Cl)ccc1C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825615788 609424984 /nfs/dbraw/zinc/42/49/84/609424984.db2.gz KVLOVSVZZBYXQD-LLVKDONJSA-N -1 3 371.828 3.410 20 0 FGADHM Cc1csc(CNc2ccn(-c3ccc(Cl)cc3-c3nnn[n-]3)n2)n1 ZINC000826321128 609446670 /nfs/dbraw/zinc/44/66/70/609446670.db2.gz RFKNMBMTETYHOC-UHFFFAOYSA-N -1 3 372.845 3.083 20 0 FGADHM Cc1csc(CNc2ccn(-c3ccc(Cl)cc3-c3nn[n-]n3)n2)n1 ZINC000826321128 609446673 /nfs/dbraw/zinc/44/66/73/609446673.db2.gz RFKNMBMTETYHOC-UHFFFAOYSA-N -1 3 372.845 3.083 20 0 FGADHM CC(C)[C@H](C)NC(=O)CSc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000824191491 609449968 /nfs/dbraw/zinc/44/99/68/609449968.db2.gz FZNJTAXVRJNWSZ-VIFPVBQESA-N -1 3 373.404 3.138 20 0 FGADHM CC(C)[C@H](C)NC(=O)CSc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000824191491 609449970 /nfs/dbraw/zinc/44/99/70/609449970.db2.gz FZNJTAXVRJNWSZ-VIFPVBQESA-N -1 3 373.404 3.138 20 0 FGADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)OCCCc1cccc(F)c1 ZINC000826408920 609463095 /nfs/dbraw/zinc/46/30/95/609463095.db2.gz ZWTCVJLBADHFCE-UHFFFAOYSA-N -1 3 354.385 3.114 20 0 FGADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)OCCCc1cccc(F)c1 ZINC000826408920 609463097 /nfs/dbraw/zinc/46/30/97/609463097.db2.gz ZWTCVJLBADHFCE-UHFFFAOYSA-N -1 3 354.385 3.114 20 0 FGADHM Cc1ccc(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)cc1OCCC(C)C ZINC000826290820 609465738 /nfs/dbraw/zinc/46/57/38/609465738.db2.gz BCYGFMLSUAMWAS-UHFFFAOYSA-N -1 3 354.414 3.180 20 0 FGADHM Cc1ccc(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)cc1OCCC(C)C ZINC000826290820 609465740 /nfs/dbraw/zinc/46/57/40/609465740.db2.gz BCYGFMLSUAMWAS-UHFFFAOYSA-N -1 3 354.414 3.180 20 0 FGADHM c1ccc(OCc2ccncc2)c(CNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826517148 609473592 /nfs/dbraw/zinc/47/35/92/609473592.db2.gz SPQWSXHYOSHQBG-UHFFFAOYSA-N -1 3 358.405 3.453 20 0 FGADHM c1ccc(OCc2ccncc2)c(CNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826517148 609473593 /nfs/dbraw/zinc/47/35/93/609473593.db2.gz SPQWSXHYOSHQBG-UHFFFAOYSA-N -1 3 358.405 3.453 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NCc1cnc([C@H]2CCCO2)s1 ZINC000825632302 609477449 /nfs/dbraw/zinc/47/74/49/609477449.db2.gz OHUNBIVKNNKTBR-OAHLLOKOSA-N -1 3 372.454 3.186 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NCc1cnc([C@H]2CCCO2)s1 ZINC000825632302 609477451 /nfs/dbraw/zinc/47/74/51/609477451.db2.gz OHUNBIVKNNKTBR-OAHLLOKOSA-N -1 3 372.454 3.186 20 0 FGADHM COc1ccc(OC)c(CNc2cc(-c3nnn[n-]3)ccc2OC(C)C)c1 ZINC000826210954 609477960 /nfs/dbraw/zinc/47/79/60/609477960.db2.gz KPLHWDDAKBAWNZ-UHFFFAOYSA-N -1 3 369.425 3.283 20 0 FGADHM COc1ccc(OC)c(CNc2cc(-c3nn[n-]n3)ccc2OC(C)C)c1 ZINC000826210954 609477962 /nfs/dbraw/zinc/47/79/62/609477962.db2.gz KPLHWDDAKBAWNZ-UHFFFAOYSA-N -1 3 369.425 3.283 20 0 FGADHM Cc1ccnc(-c2ccc(NCc3cccc(-c4nnn[n-]4)c3F)cc2)n1 ZINC000826308726 609478938 /nfs/dbraw/zinc/47/89/38/609478938.db2.gz MHXWGYXXKSWCCC-UHFFFAOYSA-N -1 3 361.384 3.383 20 0 FGADHM Cc1ccnc(-c2ccc(NCc3cccc(-c4nn[n-]n4)c3F)cc2)n1 ZINC000826308726 609478941 /nfs/dbraw/zinc/47/89/41/609478941.db2.gz MHXWGYXXKSWCCC-UHFFFAOYSA-N -1 3 361.384 3.383 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000826278941 609480686 /nfs/dbraw/zinc/48/06/86/609480686.db2.gz ZMVGJEATGUMAFX-AWEZNQCLSA-N -1 3 372.473 3.234 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000826278941 609480689 /nfs/dbraw/zinc/48/06/89/609480689.db2.gz ZMVGJEATGUMAFX-AWEZNQCLSA-N -1 3 372.473 3.234 20 0 FGADHM CCCn1nc(C)c(CNc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)c1C ZINC000825361539 609490085 /nfs/dbraw/zinc/49/00/85/609490085.db2.gz DXSZDMVMWZYAOC-UHFFFAOYSA-N -1 3 369.473 3.489 20 0 FGADHM CCCn1nc(C)c(CNc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)c1C ZINC000825361539 609490087 /nfs/dbraw/zinc/49/00/87/609490087.db2.gz DXSZDMVMWZYAOC-UHFFFAOYSA-N -1 3 369.473 3.489 20 0 FGADHM CCn1nc(C)c(CNc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)c1C ZINC000825807907 609492952 /nfs/dbraw/zinc/49/29/52/609492952.db2.gz XREBSTUTWWWWHX-UHFFFAOYSA-N -1 3 355.446 3.099 20 0 FGADHM CCn1nc(C)c(CNc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)c1C ZINC000825807907 609492955 /nfs/dbraw/zinc/49/29/55/609492955.db2.gz XREBSTUTWWWWHX-UHFFFAOYSA-N -1 3 355.446 3.099 20 0 FGADHM CC[C@@H]1CCCC[C@@H]1Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1 ZINC000825194360 609498585 /nfs/dbraw/zinc/49/85/85/609498585.db2.gz PVTABGUVLGTJHI-KDOFPFPSSA-N -1 3 370.501 3.209 20 0 FGADHM CC[C@@H]1CCCC[C@@H]1Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1 ZINC000825194360 609498589 /nfs/dbraw/zinc/49/85/89/609498589.db2.gz PVTABGUVLGTJHI-KDOFPFPSSA-N -1 3 370.501 3.209 20 0 FGADHM CCc1c(C)sc(NC(=O)c2cccnc2C2CC2)c1-c1nnn[n-]1 ZINC000825687911 609499182 /nfs/dbraw/zinc/49/91/82/609499182.db2.gz NXDVFVOZIXURJD-UHFFFAOYSA-N -1 3 354.439 3.324 20 0 FGADHM CCc1c(C)sc(NC(=O)c2cccnc2C2CC2)c1-c1nn[n-]n1 ZINC000825687911 609499183 /nfs/dbraw/zinc/49/91/83/609499183.db2.gz NXDVFVOZIXURJD-UHFFFAOYSA-N -1 3 354.439 3.324 20 0 FGADHM Cc1cc(OS(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)ccc1C(C)C ZINC000826271835 609504669 /nfs/dbraw/zinc/50/46/69/609504669.db2.gz JSJOXXABBFWGNI-UHFFFAOYSA-N -1 3 372.450 3.207 20 0 FGADHM Cc1cc(OS(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)ccc1C(C)C ZINC000826271835 609504670 /nfs/dbraw/zinc/50/46/70/609504670.db2.gz JSJOXXABBFWGNI-UHFFFAOYSA-N -1 3 372.450 3.207 20 0 FGADHM CC(C)Oc1ccc(NC(=O)[C@@H](C)c2ccccc2)cc1-c1nnn[n-]1 ZINC000824328856 609509762 /nfs/dbraw/zinc/50/97/62/609509762.db2.gz CGDIFBGRKUBENK-ZDUSSCGKSA-N -1 3 351.410 3.396 20 0 FGADHM CC(C)Oc1ccc(NC(=O)[C@@H](C)c2ccccc2)cc1-c1nn[n-]n1 ZINC000824328856 609509764 /nfs/dbraw/zinc/50/97/64/609509764.db2.gz CGDIFBGRKUBENK-ZDUSSCGKSA-N -1 3 351.410 3.396 20 0 FGADHM CC1(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)CCC(F)(F)CC1 ZINC000824829404 609514336 /nfs/dbraw/zinc/51/43/36/609514336.db2.gz DKTRFPDZUXRDFQ-UHFFFAOYSA-N -1 3 367.425 3.043 20 0 FGADHM CC1(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)CCC(F)(F)CC1 ZINC000824829404 609514338 /nfs/dbraw/zinc/51/43/38/609514338.db2.gz DKTRFPDZUXRDFQ-UHFFFAOYSA-N -1 3 367.425 3.043 20 0 FGADHM CCC[C@@H]1C[C@H](C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)CCO1 ZINC000825251627 609522256 /nfs/dbraw/zinc/52/22/56/609522256.db2.gz DAQMPFIBJXCABD-QZTJIDSGSA-N -1 3 371.485 3.199 20 0 FGADHM CCC[C@@H]1C[C@H](C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)CCO1 ZINC000825251627 609522258 /nfs/dbraw/zinc/52/22/58/609522258.db2.gz DAQMPFIBJXCABD-QZTJIDSGSA-N -1 3 371.485 3.199 20 0 FGADHM Cc1c(Cl)cnc(N(C)Cc2nc3ccccc3s2)c1-c1nnn[n-]1 ZINC000826236975 609524292 /nfs/dbraw/zinc/52/42/92/609524292.db2.gz JOXCSUTWEJHOKE-UHFFFAOYSA-N -1 3 371.857 3.470 20 0 FGADHM Cc1c(Cl)cnc(N(C)Cc2nc3ccccc3s2)c1-c1nn[n-]n1 ZINC000826236975 609524294 /nfs/dbraw/zinc/52/42/94/609524294.db2.gz JOXCSUTWEJHOKE-UHFFFAOYSA-N -1 3 371.857 3.470 20 0 FGADHM Cc1ccnc(N2CCC(CCc3ccc(O)cc3)CC2)c1-c1nnn[n-]1 ZINC000826310489 609527277 /nfs/dbraw/zinc/52/72/77/609527277.db2.gz XRCZDIBFURMXJT-UHFFFAOYSA-N -1 3 364.453 3.125 20 0 FGADHM Cc1ccnc(N2CCC(CCc3ccc(O)cc3)CC2)c1-c1nn[n-]n1 ZINC000826310489 609527279 /nfs/dbraw/zinc/52/72/79/609527279.db2.gz XRCZDIBFURMXJT-UHFFFAOYSA-N -1 3 364.453 3.125 20 0 FGADHM CC[C@@H](C)[C@H](C)C(=O)Nc1c(C)c(C)nn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000825051479 609586654 /nfs/dbraw/zinc/58/66/54/609586654.db2.gz QCFCUAXMLKYZEF-NEPJUHHUSA-N -1 3 367.457 3.290 20 0 FGADHM Cc1nc2c(s1)[C@H](Nc1ncc(Cl)c(C)c1-c1nnn[n-]1)CCC2 ZINC000826328381 609587787 /nfs/dbraw/zinc/58/77/87/609587787.db2.gz PFPBXPXAXKQIAP-LLVKDONJSA-N -1 3 361.862 3.478 20 0 FGADHM Cc1nc2c(s1)[C@H](Nc1ncc(Cl)c(C)c1-c1nn[n-]n1)CCC2 ZINC000826328381 609587788 /nfs/dbraw/zinc/58/77/88/609587788.db2.gz PFPBXPXAXKQIAP-LLVKDONJSA-N -1 3 361.862 3.478 20 0 FGADHM Cc1cnc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c(C)c1 ZINC000826317854 609589486 /nfs/dbraw/zinc/58/94/86/609589486.db2.gz OSKKQCBWRBSXLH-UHFFFAOYSA-N -1 3 362.315 3.150 20 0 FGADHM Cc1cnc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c(C)c1 ZINC000826317854 609589487 /nfs/dbraw/zinc/58/94/87/609589487.db2.gz OSKKQCBWRBSXLH-UHFFFAOYSA-N -1 3 362.315 3.150 20 0 FGADHM CN(C(=O)c1ccc([C@@H]2CCCOC2)cc1)c1ccccc1-c1nnn[n-]1 ZINC000825830823 609595859 /nfs/dbraw/zinc/59/58/59/609595859.db2.gz YVLXPYABEYVWKX-MRXNPFEDSA-N -1 3 363.421 3.037 20 0 FGADHM CN(C(=O)c1ccc([C@@H]2CCCOC2)cc1)c1ccccc1-c1nn[n-]n1 ZINC000825830823 609595861 /nfs/dbraw/zinc/59/58/61/609595861.db2.gz YVLXPYABEYVWKX-MRXNPFEDSA-N -1 3 363.421 3.037 20 0 FGADHM CN(C[C@H]1CC=CCC1)C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000825908631 609607820 /nfs/dbraw/zinc/60/78/20/609607820.db2.gz KEJHEVYHBRKJTE-INIZCTEOSA-N -1 3 369.469 3.231 20 0 FGADHM CN(C[C@H]1CC=CCC1)C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000825908631 609607823 /nfs/dbraw/zinc/60/78/23/609607823.db2.gz KEJHEVYHBRKJTE-INIZCTEOSA-N -1 3 369.469 3.231 20 0 FGADHM CC[C@H](C)[C@H](C)C(=O)OCc1c(-c2nnn[n-]2)c(C)nn1-c1ccccc1 ZINC000825059776 609642303 /nfs/dbraw/zinc/64/23/03/609642303.db2.gz KIRUMPVPQUPDCX-STQMWFEESA-N -1 3 368.441 3.086 20 0 FGADHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)c(F)c2F)ccc1Cl ZINC000006316423 695556198 /nfs/dbraw/zinc/55/61/98/695556198.db2.gz YCRBSRJTOFBCKU-UHFFFAOYSA-N -1 3 366.704 3.466 20 0 FGADHM O=C(COC(=O)Cc1ccc(Cl)c(Cl)c1)[N-]C(=O)c1cccs1 ZINC000007123805 695563353 /nfs/dbraw/zinc/56/33/53/695563353.db2.gz AHGMYHTXZPLZOG-UHFFFAOYSA-N -1 3 372.229 3.097 20 0 FGADHM Cc1cc(NC(=O)CSc2nnc([N-]c3ccccc3F)s2)on1 ZINC000010428188 695590158 /nfs/dbraw/zinc/59/01/58/695590158.db2.gz DQYNWPSFLIKGOD-UHFFFAOYSA-N -1 3 365.415 3.448 20 0 FGADHM COc1ccc(C)cc1NC(=O)COC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000011808764 695602462 /nfs/dbraw/zinc/60/24/62/695602462.db2.gz ZXOUSUKNJDIDCO-UHFFFAOYSA-N -1 3 357.193 3.434 20 0 FGADHM Cc1cccc(C)c1NC(=S)N[N-]C(=O)c1ccc2ccccc2n1 ZINC000015843790 695622530 /nfs/dbraw/zinc/62/25/30/695622530.db2.gz NPXMUHXNTXLMKU-UHFFFAOYSA-N -1 3 350.447 3.483 20 0 FGADHM Cc1cc(NC=C2C(=O)[N-]C(=O)c3ccccc32)ccc1Br ZINC000016719385 695631063 /nfs/dbraw/zinc/63/10/63/695631063.db2.gz 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Cc1cc(=O)[n-]c(C(C)(C)NC(=O)Cc2ccc(C(F)(F)F)cc2)n1 ZINC000636112549 717233319 /nfs/dbraw/zinc/23/33/19/717233319.db2.gz AOADNMKZONZACF-UHFFFAOYSA-N -1 3 353.344 3.103 20 0 FGADHM C[C@@H](Oc1ccccc1Cl)C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000636318426 717261937 /nfs/dbraw/zinc/26/19/37/717261937.db2.gz VQJHOLGLFNXXOW-LLVKDONJSA-N -1 3 361.829 3.187 20 0 FGADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Br)C1CCC=CCC1 ZINC000637370004 717322255 /nfs/dbraw/zinc/32/22/55/717322255.db2.gz ZRBAUKVIVSNKKD-UHFFFAOYSA-N -1 3 366.181 3.315 20 0 FGADHM C[C@H](c1ccncc1)N(C)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000640292389 717713495 /nfs/dbraw/zinc/71/34/95/717713495.db2.gz KPLXWEJCGJXLRR-SECBINFHSA-N -1 3 361.755 3.141 20 0 FGADHM CC(C)(NC(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl)c1nccs1 ZINC000640292531 717713617 /nfs/dbraw/zinc/71/36/17/717713617.db2.gz LCMKIKRBUZXIEH-UHFFFAOYSA-N -1 3 367.784 3.034 20 0 FGADHM C[C@H]1Cc2ccccc2CN1C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000640292234 717713740 /nfs/dbraw/zinc/71/37/40/717713740.db2.gz ISIIMGIDWFNMPQ-JTQLQIEISA-N -1 3 372.778 3.499 20 0 FGADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)N[C@@H]1CCc2ccccc2C1 ZINC000640292943 717714195 /nfs/dbraw/zinc/71/41/95/717714195.db2.gz PTPWYZLNUCBQDR-GFCCVEGCSA-N -1 3 372.778 3.200 20 0 FGADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)N1CCC[C@@H]1C1CCC1 ZINC000640293187 717714440 /nfs/dbraw/zinc/71/44/40/717714440.db2.gz RUVADSIXVYVXJB-LLVKDONJSA-N -1 3 350.772 3.317 20 0 FGADHM C[C@@H]1CN(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)CCC1(F)F ZINC000640297315 717716303 /nfs/dbraw/zinc/71/63/03/717716303.db2.gz IQJZIUPOMGNWMN-SSDOTTSWSA-N -1 3 360.714 3.030 20 0 FGADHM C[C@@H](c1ccccc1Cl)N(C)C(=O)N=c1[n-]n(C)cc1Br ZINC000640309774 717720455 /nfs/dbraw/zinc/72/04/55/717720455.db2.gz OYIJXOJGMPPJAV-VIFPVBQESA-N -1 3 371.666 3.483 20 0 FGADHM CC[C@H](NC(=O)N=c1[n-]n(C)cc1Br)c1ccc(F)cc1F ZINC000640309332 717720695 /nfs/dbraw/zinc/72/06/95/717720695.db2.gz IVYJYOVEUWBQAD-LBPRGKRZSA-N -1 3 373.201 3.156 20 0 FGADHM CC(C)[C@H]1N(C(=O)N=c2[n-]n(C)cc2Br)CC12CCCC2 ZINC000640316713 717722042 /nfs/dbraw/zinc/72/20/42/717722042.db2.gz WWJWKPCCWSCSGR-GFCCVEGCSA-N -1 3 355.280 3.037 20 0 FGADHM FC(F)(F)c1n[n-]c(CNc2nn3cc(C4CCCC4)nc3s2)n1 ZINC000780582286 724481607 /nfs/dbraw/zinc/48/16/07/724481607.db2.gz AQTUFTWKMFIFIG-UHFFFAOYSA-N -1 3 357.365 3.197 20 0 FGADHM O=C(CC(F)(F)F)NC[C@H]1CCCN(Cc2cccc([O-])c2Cl)C1 ZINC000646193140 718270218 /nfs/dbraw/zinc/27/02/18/718270218.db2.gz FDHZVSUZBBNHFN-LLVKDONJSA-N -1 3 364.795 3.326 20 0 FGADHM Cc1c(Cl)cccc1C(=O)N[C@@H](C)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000646201496 718270361 /nfs/dbraw/zinc/27/03/61/718270361.db2.gz WZQTXNVHEDLMBR-PWSUYJOCSA-N -1 3 361.829 3.142 20 0 FGADHM C[C@H]1Cc2cccc(C(=O)N=c3[n-]n(CC(F)(F)F)cc3Cl)c2O1 ZINC000648431178 718425725 /nfs/dbraw/zinc/42/57/25/718425725.db2.gz LCFVCKANCHDXIM-QMMMGPOBSA-N -1 3 359.735 3.096 20 0 FGADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)c1ccc(C(F)(F)F)nc1 ZINC000648433912 718426595 /nfs/dbraw/zinc/42/65/95/718426595.db2.gz ULVWEIMECVWBSJ-UHFFFAOYSA-N -1 3 372.656 3.187 20 0 FGADHM COC1(C[C@@H](NCc2c(Cl)cccc2OC(F)F)C(=O)[O-])CCC1 ZINC000649512480 718523107 /nfs/dbraw/zinc/52/31/07/718523107.db2.gz JOGCXOIFBUTMAN-GFCCVEGCSA-N -1 3 363.788 3.443 20 0 FGADHM COC1(C[C@H](NCc2c(F)cccc2Br)C(=O)[O-])CCC1 ZINC000649512111 718523134 /nfs/dbraw/zinc/52/31/34/718523134.db2.gz ZYZLPERRAZHZSD-ZDUSSCGKSA-N -1 3 360.223 3.090 20 0 FGADHM O=S(=O)(C[C@H]1CCCCC1(F)F)[N-][C@H]1COc2cc(F)cc(F)c21 ZINC000649913112 718587537 /nfs/dbraw/zinc/58/75/37/718587537.db2.gz LNLYHHDWTDBONQ-SKDRFNHKSA-N -1 3 367.364 3.143 20 0 FGADHM CC[C@H](c1ccc(Cl)cc1)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC000650499153 718688449 /nfs/dbraw/zinc/68/84/49/718688449.db2.gz JVRCGEKAELNLTC-RHSMWYFYSA-N -1 3 364.873 3.189 20 0 FGADHM CC[C@@H]([N-]S(=O)(=O)c1sc(Br)cc1C)[C@H]1CCCO1 ZINC000651616060 718841135 /nfs/dbraw/zinc/84/11/35/718841135.db2.gz OCWXJZAKQYUGCQ-NXEZZACHSA-N -1 3 368.318 3.055 20 0 FGADHM O=S(=O)([N-][C@H](C1CC1)C1CCOCC1)c1c(Cl)cccc1Cl ZINC000651818807 718872038 /nfs/dbraw/zinc/87/20/38/718872038.db2.gz GCQYGBJIUWYDNL-CQSZACIVSA-N -1 3 364.294 3.477 20 0 FGADHM Cc1sc2[n-]c([C@@H](C)OC(=O)[C@@]3(C)CCCOC3)nc(=O)c2c1C ZINC000781289497 724548513 /nfs/dbraw/zinc/54/85/13/724548513.db2.gz HMBCHIKRXTYRHN-QGHHPUGFSA-N -1 3 350.440 3.435 20 0 FGADHM O=C(NC1(C2CCC2)CC1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000652868500 718986185 /nfs/dbraw/zinc/98/61/85/718986185.db2.gz HLRXVIXLHSGNRF-UHFFFAOYSA-N -1 3 361.239 3.353 20 0 FGADHM Cc1nn(C(C)C)cc1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000654927236 719246724 /nfs/dbraw/zinc/24/67/24/719246724.db2.gz ACIZAPTYQDTRJL-UHFFFAOYSA-N -1 3 352.232 3.171 20 0 FGADHM Cc1cc(S(=O)(=O)[N-][C@@H](C[C@H]2CCCO2)C(F)(F)F)c(C)s1 ZINC000655663225 719321778 /nfs/dbraw/zinc/32/17/78/719321778.db2.gz AVBBFYCGRRENGJ-PWSUYJOCSA-N -1 3 357.419 3.143 20 0 FGADHM Cc1nnc([C@H]2CCCN(Cc3cccc([O-])c3Br)C2)o1 ZINC000656430878 719393052 /nfs/dbraw/zinc/39/30/52/719393052.db2.gz PWHUORMFZKGOIU-LBPRGKRZSA-N -1 3 352.232 3.226 20 0 FGADHM CC(C)Oc1cccc([C@H](C)OC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C)c1 ZINC000781671123 724584929 /nfs/dbraw/zinc/58/49/29/724584929.db2.gz QQAGRMKCRGWVCR-BBRMVZONSA-N -1 3 371.499 3.042 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-][C@]2(Cc3ccc(Cl)cc3)CCCOC2)o1 ZINC000656737791 719458855 /nfs/dbraw/zinc/45/88/55/719458855.db2.gz ACJUFHIKLINNGH-KRWDZBQOSA-N -1 3 369.870 3.312 20 0 FGADHM CO[C@H](CS(=O)(=O)[N-][C@@H](c1nc(C)cs1)C1CC1)C1CCCCC1 ZINC000656917135 719507413 /nfs/dbraw/zinc/50/74/13/719507413.db2.gz HEYRMBMJTZUBKF-HZPDHXFCSA-N -1 3 372.556 3.417 20 0 FGADHM O=S(=O)([N-][C@@]12C[C@@H]1CCC2)c1c(Cl)cccc1Br ZINC000657049705 719553238 /nfs/dbraw/zinc/55/32/38/719553238.db2.gz PZGZAAYUVIBJQI-UFBFGSQYSA-N -1 3 350.665 3.323 20 0 FGADHM O=S(=O)([N-][C@]12C[C@H]1CCC2)c1cc(Br)ccc1Cl ZINC000657052276 719553782 /nfs/dbraw/zinc/55/37/82/719553782.db2.gz NZYBSSARGGFZKZ-PRHODGIISA-N -1 3 350.665 3.323 20 0 FGADHM CC(C)(C)N1CC[C@H]([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)C1 ZINC000657061344 719555113 /nfs/dbraw/zinc/55/51/13/719555113.db2.gz MXYKKBSGMPURDY-JTQLQIEISA-N -1 3 369.289 3.284 20 0 FGADHM O=c1[n-]c(SCCOC2CCC2)nc2c1cnn2Cc1ccccc1 ZINC000657283723 719617553 /nfs/dbraw/zinc/61/75/53/719617553.db2.gz HTWICSXKWHEJQS-UHFFFAOYSA-N -1 3 356.451 3.241 20 0 FGADHM CN(CCC1CCOCC1)[C@H](C(=O)[O-])c1ccccc1Br ZINC000659787283 719935070 /nfs/dbraw/zinc/93/50/70/719935070.db2.gz DFQRAWXWJCTGNT-HNNXBMFYSA-N -1 3 356.260 3.323 20 0 FGADHM CN(Cc1cccc(Br)c1OC(F)F)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000659802082 719938251 /nfs/dbraw/zinc/93/82/51/719938251.db2.gz OSROYLSOJFQVPX-AOOOYVTPSA-N -1 3 364.186 3.346 20 0 FGADHM O=C(OCc1noc(-c2ccccc2[O-])n1)[C@H]1Cc2ccccc2S1 ZINC000782266909 724646064 /nfs/dbraw/zinc/64/60/64/724646064.db2.gz FSYXNXWQEPGHJO-OAHLLOKOSA-N -1 3 354.387 3.202 20 0 FGADHM Cc1cc(=O)[n-]c(C(C)(C)NCc2cc(F)ccc2Br)n1 ZINC000660745183 720110695 /nfs/dbraw/zinc/11/06/95/720110695.db2.gz BRWOQZLBQZUDCL-UHFFFAOYSA-N -1 3 354.223 3.417 20 0 FGADHM O=S(=O)([N-][C@H]1CC[C@@H](Cc2ccccc2)C1)c1cccnc1Cl ZINC000782507109 724676502 /nfs/dbraw/zinc/67/65/02/724676502.db2.gz HIAXTJUMIPAKSS-GJZGRUSLSA-N -1 3 350.871 3.425 20 0 FGADHM O=S(=O)([N-]c1ccc(O[C@@H]2CC2(F)F)cc1)c1ccc2c(c1)OCO2 ZINC000663262020 720494506 /nfs/dbraw/zinc/49/45/06/720494506.db2.gz QMQFRNAYOOWTGB-OAHLLOKOSA-N -1 3 369.345 3.003 20 0 FGADHM O=S(=O)([N-]c1ccc(O[C@@H]2CC2(F)F)cc1)c1ccc2c(c1)CCO2 ZINC000663261982 720494540 /nfs/dbraw/zinc/49/45/40/720494540.db2.gz PMQWOVDARAEYSF-MRXNPFEDSA-N -1 3 367.373 3.209 20 0 FGADHM COCc1ccc(S(=O)(=O)[N-]c2ccc(O[C@@H]3CC3(F)F)cc2)cc1 ZINC000663262450 720494910 /nfs/dbraw/zinc/49/49/10/720494910.db2.gz WDOANQFJNKYWBG-MRXNPFEDSA-N -1 3 369.389 3.420 20 0 FGADHM O=S1(=O)CC[C@@H](c2nc(Cc3ccc(C4CCCCC4)cc3)no2)[N-]1 ZINC000664923149 720709004 /nfs/dbraw/zinc/70/90/04/720709004.db2.gz FBFGKLSFKQRTAS-INIZCTEOSA-N -1 3 361.467 3.072 20 0 FGADHM [O-]c1cccc(CN2CCOc3ccc(O)cc3C2)c1Br ZINC000668725153 721341555 /nfs/dbraw/zinc/34/15/55/721341555.db2.gz ZRBZQLDZVVSLPG-UHFFFAOYSA-N -1 3 350.212 3.255 20 0 FGADHM CC1(C)Cc2n[nH]cc2CN(Cc2cccc([O-])c2Br)C1 ZINC000668844099 721372323 /nfs/dbraw/zinc/37/23/23/721372323.db2.gz AMMFRCGNMKNGGK-UHFFFAOYSA-N -1 3 350.260 3.462 20 0 FGADHM O=C(OCc1noc(-c2ccccc2[O-])n1)c1sccc1OC(F)F ZINC000783505338 724759140 /nfs/dbraw/zinc/75/91/40/724759140.db2.gz ZAOHAWQTLFLBKC-UHFFFAOYSA-N -1 3 368.317 3.462 20 0 FGADHM Cc1cc(NC(=O)c2cccc3n[n-]nc32)ccc1N1CCSCC1 ZINC000783594150 724769832 /nfs/dbraw/zinc/76/98/32/724769832.db2.gz DACXVFKEEBNKLH-UHFFFAOYSA-N -1 3 353.451 3.072 20 0 FGADHM C[C@@H](NC(=O)c1cccc2n[n-]nc21)[C@@H](O)c1c(Cl)cccc1Cl ZINC000783678089 724778643 /nfs/dbraw/zinc/77/86/43/724778643.db2.gz CHVRFPSWEKRQMN-ANRSDYALSA-N -1 3 365.220 3.117 20 0 FGADHM Cn1cc(C(=O)Nc2cc(Br)ccc2[O-])c(-c2ccncc2)n1 ZINC000674745337 721709050 /nfs/dbraw/zinc/70/90/50/721709050.db2.gz VRCNIYNBCNAYRW-UHFFFAOYSA-N -1 3 373.210 3.203 20 0 FGADHM C[C@H](C[C@H]1CCOC1)[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000675329674 721748358 /nfs/dbraw/zinc/74/83/58/721748358.db2.gz NNUWHFKWSCGQLV-NXEZZACHSA-N -1 3 371.808 3.452 20 0 FGADHM O=C(CCOc1cccc(F)c1)NCc1ccc([O-])c(Br)c1 ZINC000676220636 721791287 /nfs/dbraw/zinc/79/12/87/721791287.db2.gz QQFPWMMMMYGDRH-UHFFFAOYSA-N -1 3 368.202 3.379 20 0 FGADHM COC(=O)Nc1ccc(C(=O)OCc2csc([C@@H](C)OC)n2)cc1[O-] ZINC000783925248 724804106 /nfs/dbraw/zinc/80/41/06/724804106.db2.gz UHKPNDJWIWFCPV-SECBINFHSA-N -1 3 366.395 3.091 20 0 FGADHM O=S(=O)(Cc1ccccc1Cl)[N-][C@@H]1COc2cc(F)cc(F)c21 ZINC000680106273 722071197 /nfs/dbraw/zinc/07/11/97/722071197.db2.gz DHYXXZFIPMZDFF-CYBMUJFWSA-N -1 3 359.781 3.171 20 0 FGADHM COc1cccc(S(=O)(=O)[N-][C@](C)(c2ccccc2)C(F)(F)F)c1 ZINC000681364672 722201160 /nfs/dbraw/zinc/20/11/60/722201160.db2.gz ZPKQGOCQVIPFJW-OAHLLOKOSA-N -1 3 359.369 3.451 20 0 FGADHM COc1ccc(OCCCS(=O)(=O)[N-]c2cccc3cc[nH]c32)cc1 ZINC000681366077 722201444 /nfs/dbraw/zinc/20/14/44/722201444.db2.gz URYOGFNNPFCHLL-UHFFFAOYSA-N -1 3 360.435 3.387 20 0 FGADHM O=S(=O)(Cc1c(F)cccc1F)[N-]c1ncccc1Br ZINC000683708830 722306426 /nfs/dbraw/zinc/30/64/26/722306426.db2.gz TZUHLJRAKXWFDJ-UHFFFAOYSA-N -1 3 363.183 3.064 20 0 FGADHM COc1cc(C(=O)O[C@H](C)C(=O)c2cccc(Cl)c2)cc(OC)c1[O-] ZINC000784360639 724846471 /nfs/dbraw/zinc/84/64/71/724846471.db2.gz MMPIZHADBXDKIU-SNVBAGLBSA-N -1 3 364.781 3.491 20 0 FGADHM Cc1cc(C)c(COC(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)c(C)c1 ZINC000725991205 722427741 /nfs/dbraw/zinc/42/77/41/722427741.db2.gz GKDUGCLTQLRXOB-UHFFFAOYSA-N -1 3 365.426 3.479 20 0 FGADHM COc1ccc([N-]S(=O)(=O)/C=C/c2ccccc2Cl)c(OC)n1 ZINC000727362521 722443808 /nfs/dbraw/zinc/44/38/08/722443808.db2.gz ULRBRAGXKXFGDK-MDZDMXLPSA-N -1 3 354.815 3.165 20 0 FGADHM C[C@@H](Cc1ccco1)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000728581207 722452783 /nfs/dbraw/zinc/45/27/83/722452783.db2.gz CHWVUFCZPVGDFB-VIFPVBQESA-N -1 3 351.321 3.347 20 0 FGADHM C[C@H]1C[C@H]1COC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000729091044 722457191 /nfs/dbraw/zinc/45/71/91/722457191.db2.gz PSGPHDVVXNBIHV-JSGCOSHPSA-N -1 3 363.410 3.439 20 0 FGADHM CC[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1cc(Br)cc(F)c1OC ZINC000730811578 722471055 /nfs/dbraw/zinc/47/10/55/722471055.db2.gz NNUUOYVQZRZUHA-BDAKNGLRSA-N -1 3 368.268 3.310 20 0 FGADHM C[C@H]([N-]C(=O)C(F)(F)c1ccc(F)cc1)c1nnc2n1CCCCC2 ZINC000733128989 722493023 /nfs/dbraw/zinc/49/30/23/722493023.db2.gz UQCXHYAQENJWBO-NSHDSACASA-N -1 3 352.360 3.113 20 0 FGADHM O=S(=O)(/C=C\c1ccccc1Cl)[N-]c1ccn(-c2ccncc2)n1 ZINC000733774740 722500737 /nfs/dbraw/zinc/50/07/37/722500737.db2.gz RCJZEVLLACYMNW-WQLSENKSSA-N -1 3 360.826 3.333 20 0 FGADHM Cn1[nH]c(-c2ccccc2)c2c([N-]C(=O)c3scnc3Cl)nnc1-2 ZINC000734469642 722507660 /nfs/dbraw/zinc/50/76/60/722507660.db2.gz ODASGJKXPSFNMJ-UHFFFAOYSA-N -1 3 358.814 3.326 20 0 FGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]CC[S@](=O)C(C)(C)C)c1Cl ZINC000735083405 722512434 /nfs/dbraw/zinc/51/24/34/722512434.db2.gz WIIVDQXQSYRZDX-FQEVSTJZSA-N -1 3 372.339 3.127 20 0 FGADHM C[C@@H](Sc1ccccc1-c1nnn[n-]1)C(=O)NCCC1=CCCCC1 ZINC000736189072 722522173 /nfs/dbraw/zinc/52/21/73/722522173.db2.gz AKPYVDYFFCRLOF-CYBMUJFWSA-N -1 3 357.483 3.354 20 0 FGADHM C[C@@H](Sc1ccccc1-c1nn[n-]n1)C(=O)NCCC1=CCCCC1 ZINC000736189072 722522174 /nfs/dbraw/zinc/52/21/74/722522174.db2.gz AKPYVDYFFCRLOF-CYBMUJFWSA-N -1 3 357.483 3.354 20 0 FGADHM C[C@@H]1[C@@H](C)CCCN1C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736265415 722522538 /nfs/dbraw/zinc/52/25/38/722522538.db2.gz JKIPTXKSLFLNPM-VHSXEESVSA-N -1 3 350.879 3.337 20 0 FGADHM C[C@@H]1[C@@H](C)CCCN1C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736265415 722522539 /nfs/dbraw/zinc/52/25/39/722522539.db2.gz JKIPTXKSLFLNPM-VHSXEESVSA-N -1 3 350.879 3.337 20 0 FGADHM CC[C@H](NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccncc1 ZINC000736370031 722522938 /nfs/dbraw/zinc/52/29/38/722522938.db2.gz KLILGPDCNRCHKO-AWEZNQCLSA-N -1 3 373.873 3.353 20 0 FGADHM CC[C@H](NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccncc1 ZINC000736370031 722522939 /nfs/dbraw/zinc/52/29/39/722522939.db2.gz KLILGPDCNRCHKO-AWEZNQCLSA-N -1 3 373.873 3.353 20 0 FGADHM O=C(OCc1cc(=O)c([O-])co1)c1ccc(Br)cc1Cl ZINC000736794366 722524646 /nfs/dbraw/zinc/52/46/46/722524646.db2.gz PVJJPLRPMMMJDM-UHFFFAOYSA-N -1 3 359.559 3.118 20 0 FGADHM O=S(=O)([N-]CCc1ccc(C(F)(F)F)cc1)c1cccnc1Cl ZINC000738345360 722529796 /nfs/dbraw/zinc/52/97/96/722529796.db2.gz LVTFNEIDJLDEAA-UHFFFAOYSA-N -1 3 364.776 3.275 20 0 FGADHM O=S(=O)([N-]Cc1csc(-c2ccccc2)n1)c1cccnc1Cl ZINC000738350036 722529860 /nfs/dbraw/zinc/52/98/60/722529860.db2.gz WHLCHWHTTJINIA-UHFFFAOYSA-N -1 3 365.867 3.337 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)c1c[nH]c(=S)n1-c1ccc(F)cc1 ZINC000738553012 722530732 /nfs/dbraw/zinc/53/07/32/722530732.db2.gz VYEPBVBQICCTMG-UHFFFAOYSA-N -1 3 361.373 3.075 20 0 FGADHM Cc1sc2[n-]c([C@@H](C)OC(=O)C=Cc3cnccn3)nc(=O)c2c1C ZINC000740965963 722540299 /nfs/dbraw/zinc/54/02/99/722540299.db2.gz OSRHGDVGVVUPSB-ORAHPGNNSA-N -1 3 356.407 3.121 20 0 FGADHM CS[C@H]1CC[C@H]([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)C1 ZINC000742331322 722555653 /nfs/dbraw/zinc/55/56/53/722555653.db2.gz YSUVVQPGCKGAMB-UWVGGRQHSA-N -1 3 357.394 3.407 20 0 FGADHM CO[C@@H](C[N-]S(=O)(=O)c1cccnc1Cl)c1cccc(Cl)c1 ZINC000742345456 722556039 /nfs/dbraw/zinc/55/60/39/722556039.db2.gz XDXBHMJMYKXLBW-LBPRGKRZSA-N -1 3 361.250 3.054 20 0 FGADHM O=C(Nc1ccc(C(=O)Nc2ncccc2[O-])cc1)OCC(F)(F)F ZINC000743291910 722565594 /nfs/dbraw/zinc/56/55/94/722565594.db2.gz WMCUJESBCJJHLV-UHFFFAOYSA-N -1 3 355.272 3.150 20 0 FGADHM C[C@H](NC(=O)c1ccc(O)cc1[O-])c1nc(-c2ccc(Cl)cc2)no1 ZINC000744380951 722576466 /nfs/dbraw/zinc/57/64/66/722576466.db2.gz FIVNQFBXIPZNOF-VIFPVBQESA-N -1 3 359.769 3.292 20 0 FGADHM O=C(COC(=O)c1cc2ccsc2[n-]1)Nc1ccnn1C1CCCC1 ZINC000744543622 722578174 /nfs/dbraw/zinc/57/81/74/722578174.db2.gz YDDFOBVKVYEDOZ-UHFFFAOYSA-N -1 3 358.423 3.337 20 0 FGADHM CC/C(=C\C(=O)OCC(=O)[N-]C(=O)c1cccs1)c1ccc(C)cc1 ZINC000745126937 722583934 /nfs/dbraw/zinc/58/39/34/722583934.db2.gz SOMNZKAKSVTCJT-SDNWHVSQSA-N -1 3 357.431 3.350 20 0 FGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1nnc(C2CCCCC2)s1 ZINC000747368331 722644760 /nfs/dbraw/zinc/64/47/60/722644760.db2.gz ROXWVNVLTVYYQV-UHFFFAOYSA-N -1 3 365.484 3.364 20 0 FGADHM CO[C@@H](CNC(=O)c1c(C)nc(C(C)C)[n-]c1=O)c1cccc(Cl)c1 ZINC000747411651 722646631 /nfs/dbraw/zinc/64/66/31/722646631.db2.gz OVGUSSWVXOADMM-AWEZNQCLSA-N -1 3 363.845 3.385 20 0 FGADHM COC(=O)/C=C/c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2F)cc1 ZINC000747595176 722651706 /nfs/dbraw/zinc/65/17/06/722651706.db2.gz JHKCICSCJCOWQV-RUDMXATFSA-N -1 3 369.801 3.466 20 0 FGADHM O=S(=O)([N-]CCSc1ccccc1)c1ccc(Cl)nc1Cl ZINC000748536919 722695239 /nfs/dbraw/zinc/69/52/39/722695239.db2.gz IKGHABFLWFEOEV-UHFFFAOYSA-N -1 3 363.291 3.459 20 0 FGADHM Cc1cccc(C(=O)Nc2ccc(N3CCN(C)CC3)c(Cl)c2)c1[O-] ZINC000749134458 722717138 /nfs/dbraw/zinc/71/71/38/722717138.db2.gz MSTFWWPWOPOQEB-UHFFFAOYSA-N -1 3 359.857 3.358 20 0 FGADHM COc1cc(-c2noc(CSCc3nc(C)cc(=O)[n-]3)n2)ccc1C ZINC000749627217 722735165 /nfs/dbraw/zinc/73/51/65/722735165.db2.gz ZDGZYTYVUMVHGV-UHFFFAOYSA-N -1 3 358.423 3.291 20 0 FGADHM Cc1ccc(CC(=O)[N-]O[C@@H]2CCN(c3cccc(Cl)c3)C2=O)cc1 ZINC000749874720 722745728 /nfs/dbraw/zinc/74/57/28/722745728.db2.gz VBOQHHYELJYLIB-QGZVFWFLSA-N -1 3 358.825 3.044 20 0 FGADHM CC(C)CSCCCOC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000751666303 722819348 /nfs/dbraw/zinc/81/93/48/722819348.db2.gz HOBARSHQSKAZJF-INIZCTEOSA-N -1 3 365.495 3.319 20 0 FGADHM CCc1ccc(CNC(=O)COC(=O)c2cc(F)cc(Cl)c2[O-])s1 ZINC000751730978 722823971 /nfs/dbraw/zinc/82/39/71/722823971.db2.gz FZLCVMBDZYGSCU-UHFFFAOYSA-N -1 3 371.817 3.282 20 0 FGADHM C[N-]S(=O)(=O)c1cc(C(=O)OCc2cccc3ccccc32)c(C)o1 ZINC000751744839 722825086 /nfs/dbraw/zinc/82/50/86/722825086.db2.gz SXAYCBPTNDXFEX-UHFFFAOYSA-N -1 3 359.403 3.006 20 0 FGADHM Cn1cc(S(=O)(=O)[N-][C@H]2CCC[C@@H](c3ccccc3)C2)nc1Cl ZINC000752873729 722875535 /nfs/dbraw/zinc/87/55/35/722875535.db2.gz AKBNCOFIMCHENO-KGLIPLIRSA-N -1 3 353.875 3.078 20 0 FGADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H]1CCC[C@H](c2ccccc2)C1 ZINC000752874089 722875577 /nfs/dbraw/zinc/87/55/77/722875577.db2.gz BLWRCWOBEAWSTB-LSDHHAIUSA-N -1 3 367.902 3.387 20 0 FGADHM COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-]CC(C)(C)C1CCCC1 ZINC000753843418 722915494 /nfs/dbraw/zinc/91/54/94/722915494.db2.gz VBOGPSNLCXVMOL-UHFFFAOYSA-N -1 3 374.890 3.016 20 0 FGADHM COc1cc(C(=O)OCC(=O)c2ccc(Cl)s2)cc(OC)c1[O-] ZINC000754276649 722933341 /nfs/dbraw/zinc/93/33/41/722933341.db2.gz PFIKYFHXRFNJFE-UHFFFAOYSA-N -1 3 356.783 3.164 20 0 FGADHM COc1cc(C(=O)OCCCOc2ccc(F)cc2)cc(OC)c1[O-] ZINC000754278270 722933452 /nfs/dbraw/zinc/93/34/52/722933452.db2.gz YUFZNGBLVKWQBH-UHFFFAOYSA-N -1 3 350.342 3.174 20 0 FGADHM CC(=O)[C@@H]1CC(C(=O)Nc2ccc(Cl)cc2[O-])=NN1c1ccccc1 ZINC000754495300 722940235 /nfs/dbraw/zinc/94/02/35/722940235.db2.gz FRZNDFNNOKEBNN-INIZCTEOSA-N -1 3 357.797 3.208 20 0 FGADHM COc1c(F)cc(Br)cc1S(=O)(=O)[N-][C@H](C)C1CCC1 ZINC000755977443 722959261 /nfs/dbraw/zinc/95/92/61/722959261.db2.gz JSJPAEOYULXZHG-MRVPVSSYSA-N -1 3 366.252 3.064 20 0 FGADHM O=C(NCC[C@@H](O)c1ccc(Cl)c(Cl)c1)c1ccc(O)cc1[O-] ZINC000760689479 723082143 /nfs/dbraw/zinc/08/21/43/723082143.db2.gz DOBFIHCGEWAHDD-CQSZACIVSA-N -1 3 356.205 3.258 20 0 FGADHM Cc1ccnc(Br)c1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000760894587 723102093 /nfs/dbraw/zinc/10/20/93/723102093.db2.gz RLDGGDUKUBTANG-UHFFFAOYSA-N -1 3 363.183 3.232 20 0 FGADHM COc1ccc([C@@H]2NC(=O)c3cccc(C)c3N2)c(Br)c1[O-] ZINC000761009838 723112644 /nfs/dbraw/zinc/11/26/44/723112644.db2.gz IGPUTMBAHDKLIY-HNNXBMFYSA-N -1 3 363.211 3.326 20 0 FGADHM Cc1nnnn1-c1cccc(NC(=O)c2cc3sccc3c([O-])c2)c1 ZINC000791322038 723229613 /nfs/dbraw/zinc/22/96/13/723229613.db2.gz JYURVGAGVHTVAK-UHFFFAOYSA-N -1 3 351.391 3.143 20 0 FGADHM CC(C)c1c(C(=O)[N-]n2ccccc2=O)cnn1-c1ccccc1Cl ZINC000792418535 723336178 /nfs/dbraw/zinc/33/61/78/723336178.db2.gz MIVHIHGIHFEXKP-UHFFFAOYSA-N -1 3 356.813 3.195 20 0 FGADHM C[C@H]([N-]C(=O)C(F)(F)C1(O)CCC1)c1nc2ccccc2n1C(F)F ZINC000763495868 723346238 /nfs/dbraw/zinc/34/62/38/723346238.db2.gz JDVSEMSJAMRGEL-VIFPVBQESA-N -1 3 359.323 3.159 20 0 FGADHM CC(C)(C)OC(=O)NC[C@H]1CCCN(C(=O)c2cc([O-])ccc2Cl)C1 ZINC000764445335 723413860 /nfs/dbraw/zinc/41/38/60/723413860.db2.gz UZIKPCSLMIMBKF-GFCCVEGCSA-N -1 3 368.861 3.423 20 0 FGADHM Cc1ccc(N2CCC[C@@H](NC(=O)c3cc([O-])ccc3Cl)C2=O)cc1 ZINC000764577787 723426610 /nfs/dbraw/zinc/42/66/10/723426610.db2.gz WTGMXTMUDTZFNG-QGZVFWFLSA-N -1 3 358.825 3.279 20 0 FGADHM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC)cc2C)c(C)cc1F ZINC000793387900 723433046 /nfs/dbraw/zinc/43/30/46/723433046.db2.gz JCROBDBTEZPCSO-UHFFFAOYSA-N -1 3 367.398 3.039 20 0 FGADHM C[C@H]1CC[C@H](CNC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)C1 ZINC000794263310 723503851 /nfs/dbraw/zinc/50/38/51/723503851.db2.gz NMZOIRVGEVNUKB-STQMWFEESA-N -1 3 370.490 3.069 20 0 FGADHM O=C([N-]Cc1noc(-c2cccs2)n1)C(F)(F)c1ccccc1F ZINC000765723658 723535297 /nfs/dbraw/zinc/53/52/97/723535297.db2.gz IILLVFMCSFQZQD-UHFFFAOYSA-N -1 3 353.325 3.345 20 0 FGADHM O=c1ccnc(C=Cc2c(F)ccc(I)c2F)[n-]1 ZINC000794942005 723552646 /nfs/dbraw/zinc/55/26/46/723552646.db2.gz FIVRIGLJOLOIHF-DAFODLJHSA-N -1 3 360.101 3.235 20 0 FGADHM COCCC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000795224081 723573481 /nfs/dbraw/zinc/57/34/81/723573481.db2.gz DUSJUBWOXGSDLZ-OAHLLOKOSA-N -1 3 368.886 3.051 20 0 FGADHM Cn1cc(S(=O)(=O)[N-]C23CCC(C(F)(F)F)(CC2)CC3)nc1Cl ZINC000795592252 723600915 /nfs/dbraw/zinc/60/09/15/723600915.db2.gz ZLAAPPZJHWKYDO-UHFFFAOYSA-N -1 3 371.812 3.007 20 0 FGADHM Cc1cc2c(cc1S(=O)(=O)[N-]c1ccc(N(C)C)c(Cl)c1)OCO2 ZINC000795614775 723602173 /nfs/dbraw/zinc/60/21/73/723602173.db2.gz BRYXGDDXPPDDCR-UHFFFAOYSA-N -1 3 368.842 3.244 20 0 FGADHM CS(=O)(=O)[N-]c1cc(C(=O)OCC2CCCC2)cc(C(F)(F)F)c1 ZINC000795780972 723609563 /nfs/dbraw/zinc/60/95/63/723609563.db2.gz JEPBLLRZZZHYTD-UHFFFAOYSA-N -1 3 365.373 3.424 20 0 FGADHM CC[C@]([N-]S(=O)(=O)C1CCCCC1)(C(=O)OC)c1ccc(Cl)cc1 ZINC000796121359 723622371 /nfs/dbraw/zinc/62/23/71/723622371.db2.gz VEHYQTXPDZLMPD-QGZVFWFLSA-N -1 3 373.902 3.370 20 0 FGADHM C[N-]S(=O)(=O)c1cc(C(=O)O[C@@H]2C[C@@H](C)c3c2cccc3C)c(C)o1 ZINC000767592777 723625081 /nfs/dbraw/zinc/62/50/81/723625081.db2.gz JLLHWPSVKRFVQV-IAQYHMDHSA-N -1 3 363.435 3.210 20 0 FGADHM CC[C@H](C)[C@@H]([N-]S(=O)(=O)c1c(Cl)nc2ccccn21)C(F)(F)F ZINC000767607619 723625358 /nfs/dbraw/zinc/62/53/58/723625358.db2.gz UMWFWTFECPQCLU-WCBMZHEXSA-N -1 3 369.796 3.243 20 0 FGADHM COc1ccc(NC/C=C\c2ccc(F)c(F)c2)cc1[N-]S(C)(=O)=O ZINC000796330395 723632984 /nfs/dbraw/zinc/63/29/84/723632984.db2.gz NDFKXUIXFRXGQN-ARJAWSKDSA-N -1 3 368.405 3.470 20 0 FGADHM Cc1cccc([C@@H](O)C[N-]S(=O)(=O)c2csc(-c3ccccc3)n2)c1 ZINC000767842838 723636583 /nfs/dbraw/zinc/63/65/83/723636583.db2.gz DUYGQSABACCCJO-INIZCTEOSA-N -1 3 374.487 3.130 20 0 FGADHM O=C(OCc1nc(-c2cc(F)c(F)c(F)c2)no1)c1ccc([O-])cc1 ZINC000767984149 723642908 /nfs/dbraw/zinc/64/29/08/723642908.db2.gz VGCKUDWQKLXRIL-UHFFFAOYSA-N -1 3 350.252 3.217 20 0 FGADHM O=C([N-]OC1CCCC1)c1c[nH]c2c(OC(F)(F)F)cccc2c1=O ZINC000768180959 723649550 /nfs/dbraw/zinc/64/95/50/723649550.db2.gz TVXIKOLIXNAPTK-UHFFFAOYSA-N -1 3 356.300 3.031 20 0 FGADHM O=C(NOC1CCCC1)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O ZINC000768180959 723649551 /nfs/dbraw/zinc/64/95/51/723649551.db2.gz TVXIKOLIXNAPTK-UHFFFAOYSA-N -1 3 356.300 3.031 20 0 FGADHM Cn1cc(S(=O)(=O)[N-][C@@H](c2ccc(F)cc2)C(C)(C)C)nc1Cl ZINC000769891042 723699233 /nfs/dbraw/zinc/69/92/33/723699233.db2.gz HUPOYJRUQOLXOM-ZDUSSCGKSA-N -1 3 359.854 3.278 20 0 FGADHM Cn1cc(S(=O)(=O)[N-]C2CCC(c3ccccc3)CC2)nc1Cl ZINC000769891055 723699304 /nfs/dbraw/zinc/69/93/04/723699304.db2.gz BXUMFLPETAIXRH-UHFFFAOYSA-N -1 3 353.875 3.078 20 0 FGADHM CC(C)(C)OC(=O)C1([N-]S(=O)(=O)Cc2ccc(F)cc2)CCCCC1 ZINC000772953940 723773045 /nfs/dbraw/zinc/77/30/45/723773045.db2.gz PWZYPBDPVHFPFT-UHFFFAOYSA-N -1 3 371.474 3.290 20 0 FGADHM CC(C)(C)OC(=O)C1([N-]S(=O)(=O)Cc2ccccc2)CCCCC1 ZINC000772952338 723773141 /nfs/dbraw/zinc/77/31/41/723773141.db2.gz CSXTXKQBXRSBER-UHFFFAOYSA-N -1 3 353.484 3.151 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-][C@H](C)[C@@H](O)c2c(Cl)cccc2Cl)o1 ZINC000773313526 723782139 /nfs/dbraw/zinc/78/21/39/723782139.db2.gz XWOVBLWYKKJZLW-YMTOWFKASA-N -1 3 364.250 3.295 20 0 FGADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000797840870 723871049 /nfs/dbraw/zinc/87/10/49/723871049.db2.gz RAOMFIUYVKNOQD-AULYBMBSSA-N -1 3 374.293 3.260 20 0 FGADHM C[C@H](NC(=S)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)c1ccccc1 ZINC000798373957 723926516 /nfs/dbraw/zinc/92/65/16/723926516.db2.gz XAARLTJRDZBNKC-LBPRGKRZSA-N -1 3 373.444 3.013 20 0 FGADHM CC(C)Oc1ccc([N-]S(=O)(=O)CC(=O)OC[C@@H]2C[C@@H]2C(C)C)cc1 ZINC000774867989 723936853 /nfs/dbraw/zinc/93/68/53/723936853.db2.gz SUQFVUXQPQOAAD-WMLDXEAASA-N -1 3 369.483 3.051 20 0 FGADHM C[C@@H](NCC(=O)[N-]OCc1ccccc1)c1ccccc1OC(F)F ZINC000774884680 723938723 /nfs/dbraw/zinc/93/87/23/723938723.db2.gz BIGJVXJNRLYYKU-CYBMUJFWSA-N -1 3 350.365 3.187 20 0 FGADHM 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/nfs/dbraw/zinc/28/64/70/724286470.db2.gz GEWJTZAZHSJXTR-UHFFFAOYSA-N -1 3 360.172 3.051 20 0 FGADHM O=C(CC(F)(F)F)Nc1ccc(NC([O-])=NO[C@H]2CCCCO2)cc1 ZINC000801883256 724343383 /nfs/dbraw/zinc/34/33/83/724343383.db2.gz IEUOUVBWNIYJJF-ZDUSSCGKSA-N -1 3 361.320 3.157 20 0 FGADHM O=C(C=CC(=O)Nc1cc(Cl)ccc1[O-])Nc1ccc2n[nH]cc2c1 ZINC000778937165 724374847 /nfs/dbraw/zinc/37/48/47/724374847.db2.gz UHSVQYKRKXMEHF-WAYWQWQTSA-N -1 3 356.769 3.055 20 0 FGADHM CC(C)([N-]S(=O)(=O)c1cccc(Cl)c1Cl)C1CCOCC1 ZINC000785398253 724910661 /nfs/dbraw/zinc/91/06/61/724910661.db2.gz NWTMQSZFXGTUAH-UHFFFAOYSA-N -1 3 352.283 3.477 20 0 FGADHM Cc1cc(C)c(COC(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)c(F)c1 ZINC000786582165 724990085 /nfs/dbraw/zinc/99/00/85/724990085.db2.gz OKFHORCEWYIWCJ-UHFFFAOYSA-N -1 3 369.389 3.310 20 0 FGADHM Cc1sc2[n-]c([C@@H](C)OC(=O)[C@@H]3CCCOCC3)nc(=O)c2c1C ZINC000787095361 725016300 /nfs/dbraw/zinc/01/63/00/725016300.db2.gz DTUIOPLWJDKEAB-ZYHUDNBSSA-N -1 3 350.440 3.435 20 0 FGADHM 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PXWOKXCWGHIIMG-UHFFFAOYSA-N -1 3 354.189 3.172 20 0 FGADHM CC(C)OCCO[N-]C(=O)Cc1cccc(NC(=O)OC(C)(C)C)c1 ZINC000812808162 726813913 /nfs/dbraw/zinc/81/39/13/726813913.db2.gz VBCJORVZJXIGCI-UHFFFAOYSA-N -1 3 352.431 3.049 20 0 FGADHM CSCC[C@@H](C)[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000813670197 726903861 /nfs/dbraw/zinc/90/38/61/726903861.db2.gz YZPVXEPHEQOQQF-MRVPVSSYSA-N -1 3 361.382 3.144 20 0 FGADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=S)NC2CCC2)CC1 ZINC000814195182 726946480 /nfs/dbraw/zinc/94/64/80/726946480.db2.gz VOKMSPJYNLTNBS-UHFFFAOYSA-N -1 3 367.902 3.123 20 0 FGADHM COC(=O)c1cc(C(=O)OCc2ccc(Br)cc2C)c[n-]1 ZINC000814531121 726978385 /nfs/dbraw/zinc/97/83/85/726978385.db2.gz CUSXPHXNWUVKJI-UHFFFAOYSA-N -1 3 352.184 3.229 20 0 FGADHM O=C(Nc1cccc([O-])c1F)c1cn2c(Br)cnc2s1 ZINC000815883601 727104144 /nfs/dbraw/zinc/10/41/44/727104144.db2.gz KIGBUZSRAYCKNV-UHFFFAOYSA-N -1 3 356.176 3.255 20 0 FGADHM C[C@@](O)(CNC(=O)c1cc([O-])cc(C(F)(F)F)c1)c1ccc(F)cc1 ZINC000816956108 727209949 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CC(C)CC(CC(C)C)NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820054830 728963849 /nfs/dbraw/zinc/96/38/49/728963849.db2.gz CVNGUOAHKSOBCR-UHFFFAOYSA-N -1 3 351.401 3.336 20 0 FGADHM CC(C)Oc1ccccc1C[S@@](=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000820178130 728972482 /nfs/dbraw/zinc/97/24/82/728972482.db2.gz IDLHCSMLYNKIJB-VWLOTQADSA-N -1 3 356.451 3.103 20 0 FGADHM CC(C)Oc1ccccc1C[S@@](=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000820178130 728972483 /nfs/dbraw/zinc/97/24/83/728972483.db2.gz IDLHCSMLYNKIJB-VWLOTQADSA-N -1 3 356.451 3.103 20 0 FGADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)N[C@H]2C=CCC2)CC1 ZINC000821076049 729055234 /nfs/dbraw/zinc/05/52/34/729055234.db2.gz XAQWYYSOOKPNKM-AWEZNQCLSA-N -1 3 363.845 3.124 20 0 FGADHM O=C(CCSc1ccc(F)cc1)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000822974532 729239301 /nfs/dbraw/zinc/23/93/01/729239301.db2.gz QQQCPNINUHGAER-UHFFFAOYSA-N -1 3 361.377 3.266 20 0 FGADHM O=C(CCSc1ccc(F)cc1)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000822974532 729239310 /nfs/dbraw/zinc/23/93/10/729239310.db2.gz QQQCPNINUHGAER-UHFFFAOYSA-N -1 3 361.377 3.266 20 0 FGADHM O=C(Cc1cc(Cl)ccc1Cl)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000823073796 729249652 /nfs/dbraw/zinc/24/96/52/729249652.db2.gz DAOMSQWLCVCLGA-UHFFFAOYSA-N -1 3 366.183 3.494 20 0 FGADHM O=C(Cc1cc(Cl)ccc1Cl)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000823073796 729249656 /nfs/dbraw/zinc/24/96/56/729249656.db2.gz DAOMSQWLCVCLGA-UHFFFAOYSA-N -1 3 366.183 3.494 20 0 FGADHM CC/C(C)=C/C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000823130441 729255546 /nfs/dbraw/zinc/25/55/46/729255546.db2.gz XLBCYEJMWPEBEB-VQHVLOKHSA-N -1 3 350.362 3.372 20 0 FGADHM c1cc(-c2nnn[n-]2)sc1CNc1ccc(N2CCSCC2)cc1 ZINC000823756536 729303255 /nfs/dbraw/zinc/30/32/55/729303255.db2.gz BBFDEYGSNAHSEN-UHFFFAOYSA-N -1 3 358.496 3.094 20 0 FGADHM Brc1cccc2c1CC[C@@H]2Nc1cnccc1-c1nnn[n-]1 ZINC000823831876 729307525 /nfs/dbraw/zinc/30/75/25/729307525.db2.gz FQGJTBFXXGJRPC-ZDUSSCGKSA-N -1 3 357.215 3.124 20 0 FGADHM Brc1cccc2c1CC[C@@H]2Nc1cnccc1-c1nn[n-]n1 ZINC000823831876 729307528 /nfs/dbraw/zinc/30/75/28/729307528.db2.gz FQGJTBFXXGJRPC-ZDUSSCGKSA-N -1 3 357.215 3.124 20 0 FGADHM CC(C)(C)c1nnc(CSc2cccc(Cl)c2-c2nnn[n-]2)o1 ZINC000824141189 729321078 /nfs/dbraw/zinc/32/10/78/729321078.db2.gz DSQROGZXBNKMRM-UHFFFAOYSA-N -1 3 350.835 3.493 20 0 FGADHM CC(C)(C)c1nnc(CSc2cccc(Cl)c2-c2nn[n-]n2)o1 ZINC000824141189 729321079 /nfs/dbraw/zinc/32/10/79/729321079.db2.gz DSQROGZXBNKMRM-UHFFFAOYSA-N -1 3 350.835 3.493 20 0 FGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)CCCc1ccsc1 ZINC000824148378 729321362 /nfs/dbraw/zinc/32/13/62/729321362.db2.gz SDPBARXJAJHLRP-UHFFFAOYSA-N -1 3 358.471 3.446 20 0 FGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)CCCc1ccsc1 ZINC000824148378 729321364 /nfs/dbraw/zinc/32/13/64/729321364.db2.gz SDPBARXJAJHLRP-UHFFFAOYSA-N -1 3 358.471 3.446 20 0 FGADHM CC(C)[C@H]1C[C@@H](Nc2ccc(Br)cc2-c2nnn[n-]2)CCO1 ZINC000824217038 729324833 /nfs/dbraw/zinc/32/48/33/729324833.db2.gz XKTTTXBPZBIOHC-SMDDNHRTSA-N -1 3 366.263 3.245 20 0 FGADHM CC(C)[C@H]1C[C@@H](Nc2ccc(Br)cc2-c2nn[n-]n2)CCO1 ZINC000824217038 729324834 /nfs/dbraw/zinc/32/48/34/729324834.db2.gz XKTTTXBPZBIOHC-SMDDNHRTSA-N -1 3 366.263 3.245 20 0 FGADHM C[C@H](NC(=S)Nc1ccccc1-c1nnn[n-]1)c1cccc(F)c1F ZINC000824531688 729345768 /nfs/dbraw/zinc/34/57/68/729345768.db2.gz QKRQFYIHHKOWIJ-VIFPVBQESA-N -1 3 360.393 3.193 20 0 FGADHM C[C@H](NC(=S)Nc1ccccc1-c1nn[n-]n1)c1cccc(F)c1F ZINC000824531688 729345772 /nfs/dbraw/zinc/34/57/72/729345772.db2.gz QKRQFYIHHKOWIJ-VIFPVBQESA-N -1 3 360.393 3.193 20 0 FGADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)C=Cc1ccsc1C(F)(F)F)C2 ZINC000825041096 729368778 /nfs/dbraw/zinc/36/87/78/729368778.db2.gz VCVARKIPLPAKHD-NSCUHMNNSA-N -1 3 355.341 3.127 20 0 FGADHM CC/C=C(/C)C(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000825221094 729374985 /nfs/dbraw/zinc/37/49/85/729374985.db2.gz XYKUZUYIBBKTGY-WMZJFQQLSA-N -1 3 357.805 3.001 20 0 FGADHM CC/C=C(/C)C(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000825221094 729374986 /nfs/dbraw/zinc/37/49/86/729374986.db2.gz 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Cc1nc(CN[C@@H](c2cccc(-c3nn[n-]n3)c2)C(F)(F)F)sc1C ZINC000826326565 729407254 /nfs/dbraw/zinc/40/72/54/729407254.db2.gz VKUOYLVBYPMWLG-ZDUSSCGKSA-N -1 3 368.388 3.333 20 0 FGADHM FC(F)(F)[C@@H](NCc1ccc(Cl)nc1)c1cccc(-c2nnn[n-]2)c1 ZINC000826367367 729407689 /nfs/dbraw/zinc/40/76/89/729407689.db2.gz WUQHMRUIVVACAE-ZDUSSCGKSA-N -1 3 368.750 3.308 20 0 FGADHM FC(F)(F)[C@@H](NCc1ccc(Cl)nc1)c1cccc(-c2nn[n-]n2)c1 ZINC000826367367 729407690 /nfs/dbraw/zinc/40/76/90/729407690.db2.gz WUQHMRUIVVACAE-ZDUSSCGKSA-N -1 3 368.750 3.308 20 0 FGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)NC1(c2cccc(Cl)c2)CCC1 ZINC000826945592 729419539 /nfs/dbraw/zinc/41/95/39/729419539.db2.gz FBUMIHQWFUCITC-UHFFFAOYSA-N -1 3 373.766 3.356 20 0 FGADHM C[C@@H]1CCN(Cc2ccc3cnccc3c2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000827849329 729435912 /nfs/dbraw/zinc/43/59/12/729435912.db2.gz DMUVNSOAJQFPKP-WBMJQRKESA-N -1 3 351.372 3.124 20 0 FGADHM C[C@@H]([N-]C(=O)C(F)(F)c1cccc(Br)c1)c1ccnn1C ZINC000828580471 729445360 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FGADHM CCOC(=O)Cc1cnc([N-]C(=O)c2snc(Cl)c2Cl)s1 ZINC000846250556 730940498 /nfs/dbraw/zinc/94/04/98/730940498.db2.gz OCLJJVVATQJVLF-UHFFFAOYSA-N -1 3 366.251 3.264 20 0 FGADHM O=C(Cc1ccc([O-])c(F)c1)N1CCC[C@@](O)(c2ccc(Cl)cc2)C1 ZINC000846352608 730948917 /nfs/dbraw/zinc/94/89/17/730948917.db2.gz XBCQJVSRPRAZHP-IBGZPJMESA-N -1 3 363.816 3.237 20 0 FGADHM CC[C@@H]([N-]C(=O)C(F)(F)c1ccccc1OC(C)C)[C@@H](O)C(F)(F)F ZINC000847632093 731072494 /nfs/dbraw/zinc/07/24/94/731072494.db2.gz OHGHDBCRWAQYAN-DGCLKSJQSA-N -1 3 369.330 3.384 20 0 FGADHM COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-][C@H](C)c2ccsc2)c1 ZINC000848454560 731166613 /nfs/dbraw/zinc/16/66/13/731166613.db2.gz QGSLMSUBSRYPHR-SNVBAGLBSA-N -1 3 357.428 3.022 20 0 FGADHM C[C@@H](CN(C)c1nc(Cl)c(C(F)(F)F)cc1Cl)c1nnn[n-]1 ZINC000853476455 731709188 /nfs/dbraw/zinc/70/91/88/731709188.db2.gz BLAVGHBHYPDNAT-YFKPBYRVSA-N -1 3 355.151 3.160 20 0 FGADHM C[C@@H](CN(C)c1nc(Cl)c(C(F)(F)F)cc1Cl)c1nn[n-]n1 ZINC000853476455 731709191 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ZINC000110001902 494939263 /nfs/dbraw/zinc/93/92/63/494939263.db2.gz XTNBYIIFGLPXSA-UHFFFAOYSA-N -1 3 363.421 3.118 20 0 FGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)c1ccc(OC2CCCC2)cc1 ZINC000110001902 494939264 /nfs/dbraw/zinc/93/92/64/494939264.db2.gz XTNBYIIFGLPXSA-UHFFFAOYSA-N -1 3 363.421 3.118 20 0 FGADHM CC[C@@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)c1c(C)nn(C)c1C ZINC000132906837 494941103 /nfs/dbraw/zinc/94/11/03/494941103.db2.gz HHDYXWJAUHWTRN-CYBMUJFWSA-N -1 3 359.854 3.259 20 0 FGADHM C[C@H](CN(C)c1nc(-c2cccs2)nc2ccccc21)c1nnn[n-]1 ZINC000132921714 494943299 /nfs/dbraw/zinc/94/32/99/494943299.db2.gz QVVCEMFBTYDGAQ-LLVKDONJSA-N -1 3 351.439 3.111 20 0 FGADHM C[C@H](CN(C)c1nc(-c2cccs2)nc2ccccc21)c1nn[n-]n1 ZINC000132921714 494943301 /nfs/dbraw/zinc/94/33/01/494943301.db2.gz QVVCEMFBTYDGAQ-LLVKDONJSA-N -1 3 351.439 3.111 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H](C)c3c(C)n[nH]c3C)c2)n1 ZINC000110056428 494944563 /nfs/dbraw/zinc/94/45/63/494944563.db2.gz NESJJPWQYBFYRV-LLVKDONJSA-N -1 3 365.437 3.081 20 0 FGADHM CC(=O)Nc1ccc(S[C@@H](C)C(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000132972707 494950667 /nfs/dbraw/zinc/95/06/67/494950667.db2.gz YNMLRJLUFCNPGJ-NSHDSACASA-N -1 3 362.426 3.287 20 0 FGADHM O=C(CSCc1ccc(Cl)cc1)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000127497443 494952984 /nfs/dbraw/zinc/95/29/84/494952984.db2.gz IEGBXTCVXWCVCX-UHFFFAOYSA-N -1 3 373.869 3.316 20 0 FGADHM O=C(CSCc1ccc(Cl)cc1)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000127497443 494952990 /nfs/dbraw/zinc/95/29/90/494952990.db2.gz IEGBXTCVXWCVCX-UHFFFAOYSA-N -1 3 373.869 3.316 20 0 FGADHM O=C(Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)c1cc2ccccc2[nH]1 ZINC000133065307 494963943 /nfs/dbraw/zinc/96/39/43/494963943.db2.gz XULHENSIFZYAEM-UHFFFAOYSA-N -1 3 373.409 3.000 20 0 FGADHM C[C@H](NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)c1cccc(Cl)c1Cl ZINC000117990066 494968685 /nfs/dbraw/zinc/96/86/85/494968685.db2.gz SPBIIBKSBDFLNQ-QMMMGPOBSA-N -1 3 363.200 3.368 20 0 FGADHM O=C([N-]c1nnc(C(F)(F)F)s1)c1cccc(OCC(F)(F)F)n1 ZINC000133111360 494971091 /nfs/dbraw/zinc/97/10/91/494971091.db2.gz POLJTILWCGNNOG-UHFFFAOYSA-N -1 3 372.250 3.145 20 0 FGADHM Cc1nn(C)c(C)c1C(=O)C(=O)[N-]c1nc2ccccc2n1-c1ccccc1 ZINC000127706524 494984670 /nfs/dbraw/zinc/98/46/70/494984670.db2.gz PPIKHAYJZGHUDL-UHFFFAOYSA-N -1 3 373.416 3.197 20 0 FGADHM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-][C@H](C)[C@@H](C)c1ccccc1 ZINC000133241511 494989639 /nfs/dbraw/zinc/98/96/39/494989639.db2.gz FUCJMDWMHWCYKN-CHWSQXEVSA-N -1 3 365.426 3.083 20 0 FGADHM COc1cccc(C(=O)N2CCc3cccc(Br)c3C2)c1[O-] ZINC000118280914 494990459 /nfs/dbraw/zinc/99/04/59/494990459.db2.gz LIVHGFVPUIPRKX-UHFFFAOYSA-N -1 3 362.223 3.362 20 0 FGADHM Cc1nc(C)c(CCC(=O)N2CCS[C@@H](C)[C@@H]2c2ccccc2)c(=O)[n-]1 ZINC000118300364 494992103 /nfs/dbraw/zinc/99/21/03/494992103.db2.gz RBTKQUVGVIZCRY-IFXJQAMLSA-N -1 3 371.506 3.025 20 0 FGADHM Cc1nc(C)c(CCC(=O)N2CCS[C@@H](C)[C@H]2c2ccccc2)c(=O)[n-]1 ZINC000118300367 494992238 /nfs/dbraw/zinc/99/22/38/494992238.db2.gz RBTKQUVGVIZCRY-LIRRHRJNSA-N -1 3 371.506 3.025 20 0 FGADHM Cc1ccn(-c2ccccc2CNC(=O)NCc2ccc([O-])c(F)c2)n1 ZINC000122564636 494994735 /nfs/dbraw/zinc/99/47/35/494994735.db2.gz OYXOALCVBWIKAW-UHFFFAOYSA-N -1 3 354.385 3.025 20 0 FGADHM Cc1cnn(-c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3F)cc2F)c1 ZINC000128020644 495032262 /nfs/dbraw/zinc/03/22/62/495032262.db2.gz IDAGZSGKTHFXBX-UHFFFAOYSA-N -1 3 367.352 3.399 20 0 FGADHM Cc1[nH]nc2cc([N-]S(=O)(=O)C[C@@]34CC[C@@H](CC3=O)C4(C)C)ccc12 ZINC000133685774 495046026 /nfs/dbraw/zinc/04/60/26/495046026.db2.gz LNWBPYDTAYNDOK-SGTLLEGYSA-N -1 3 361.467 3.008 20 0 FGADHM Cc1n[nH]c2cc([N-]S(=O)(=O)C[C@@]34CC[C@@H](CC3=O)C4(C)C)ccc12 ZINC000133685774 495046030 /nfs/dbraw/zinc/04/60/30/495046030.db2.gz LNWBPYDTAYNDOK-SGTLLEGYSA-N -1 3 361.467 3.008 20 0 FGADHM Brc1c(-c2nc([C@H]3CCOC3)no2)n[n-]c1-c1ccccc1 ZINC000118952235 495056057 /nfs/dbraw/zinc/05/60/57/495056057.db2.gz ISYRNUKFSCCRJX-JTQLQIEISA-N -1 3 361.199 3.393 20 0 FGADHM Brc1c(-c2ccccc2)n[n-]c1-c1nc([C@H]2CCOC2)no1 ZINC000118952235 495056059 /nfs/dbraw/zinc/05/60/59/495056059.db2.gz ISYRNUKFSCCRJX-JTQLQIEISA-N -1 3 361.199 3.393 20 0 FGADHM O=c1[n-]nc(SCc2cc(Cl)ccc2Cl)n1C[C@@H]1CCCO1 ZINC000133760975 495058199 /nfs/dbraw/zinc/05/81/99/495058199.db2.gz YESFEHDABVRWKZ-NSHDSACASA-N -1 3 360.266 3.350 20 0 FGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@@H]1CC(C)(C)c2ccccc21 ZINC000128248332 495067312 /nfs/dbraw/zinc/06/73/12/495067312.db2.gz LUGMPSAVVAZOSY-CYBMUJFWSA-N -1 3 365.476 3.236 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1)c1noc(-c2ccccc2)n1 ZINC000128322136 495078695 /nfs/dbraw/zinc/07/86/95/495078695.db2.gz QYCPUAAYYNTLDG-JTQLQIEISA-N -1 3 365.361 3.054 20 0 FGADHM COc1ccc([C@H]2[C@H](C(=O)Nc3cccc([O-])c3F)CCC(=O)N2C)cc1 ZINC000128376509 495087393 /nfs/dbraw/zinc/08/73/93/495087393.db2.gz XWULGPVNCZBFHI-KUHUBIRLSA-N -1 3 372.396 3.088 20 0 FGADHM COC(=O)[C@H](C)CN(C)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000101643093 495088894 /nfs/dbraw/zinc/08/88/94/495088894.db2.gz XMOXNSYWYUADEH-OAHLLOKOSA-N -1 3 355.434 3.059 20 0 FGADHM Cc1cccc(C(=O)N2CCC[C@@H](C3N=NC(=S)N3C(C)C)C2)c1[O-] ZINC000111657781 495092446 /nfs/dbraw/zinc/09/24/46/495092446.db2.gz CNJLLKKKDJVYBS-CYBMUJFWSA-N -1 3 360.483 3.182 20 0 FGADHM Cc1ccc(C(=O)N2CCC[C@H](C3N=NC(=S)N3C(C)C)C2)c([O-])c1C ZINC000111657752 495092828 /nfs/dbraw/zinc/09/28/28/495092828.db2.gz PRUIIIBHWNWWQF-AWEZNQCLSA-N -1 3 374.510 3.490 20 0 FGADHM Cc1nc(-c2ccsc2)ccc1C(=O)[N-]n1cnc2ccccc2c1=O ZINC000101809331 495100017 /nfs/dbraw/zinc/10/00/17/495100017.db2.gz AAGSOQUXBIVEAH-UHFFFAOYSA-N -1 3 362.414 3.212 20 0 FGADHM O=C(C[C@@H]1CCCN(C(=O)c2ccccc2[O-])C1)NCc1ccc(F)cc1 ZINC000571564597 505761690 /nfs/dbraw/zinc/76/16/90/505761690.db2.gz HEDOPNWAFMTBAO-INIZCTEOSA-N -1 3 370.424 3.090 20 0 FGADHM O=C(C[C@H]1CCCN(C(=O)c2ccccc2[O-])C1)NCc1ccc(F)cc1 ZINC000571564599 505761798 /nfs/dbraw/zinc/76/17/98/505761798.db2.gz HEDOPNWAFMTBAO-MRXNPFEDSA-N -1 3 370.424 3.090 20 0 FGADHM CC(C)[C@H](NC(=O)CNC(=O)c1ccc([O-])cc1)c1ccccc1Cl ZINC000574390026 505762219 /nfs/dbraw/zinc/76/22/19/505762219.db2.gz HXZBLEDVLAGTOS-SFHVURJKSA-N -1 3 360.841 3.289 20 0 FGADHM COCCCOc1ccc(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)cn1 ZINC000134203200 495121000 /nfs/dbraw/zinc/12/10/00/495121000.db2.gz GLIXGVYFIXUBRY-UHFFFAOYSA-N -1 3 370.327 3.474 20 0 FGADHM CCCOc1cccc(CC(=O)Nc2n[n-]c(-c3ccccc3OC)n2)c1 ZINC000123393636 495125325 /nfs/dbraw/zinc/12/53/25/495125325.db2.gz JUDAYRDBDNTARP-UHFFFAOYSA-N -1 3 366.421 3.450 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)NC[C@@H]3[C@@H]4Cc5ccccc5[C@H]34)c[n-]c12 ZINC000123408463 495127899 /nfs/dbraw/zinc/12/78/99/495127899.db2.gz WWCGETVMLGCMCN-WDYCEAGBSA-N -1 3 362.404 3.291 20 0 FGADHM Cn1ccnc1-c1cc(NC(=O)[C@@H]2C[C@H]2c2c(F)cccc2Cl)n[n-]1 ZINC000119284969 495133935 /nfs/dbraw/zinc/13/39/35/495133935.db2.gz IHPSKLIOKVUQQG-NXEZZACHSA-N -1 3 359.792 3.345 20 0 FGADHM Cn1ccnc1-c1cc(NC(=O)[C@@H]2C[C@H]2c2c(F)cccc2Cl)[n-]n1 ZINC000119284969 495133939 /nfs/dbraw/zinc/13/39/39/495133939.db2.gz IHPSKLIOKVUQQG-NXEZZACHSA-N -1 3 359.792 3.345 20 0 FGADHM CCc1nc(CC[N-]S(=O)(=O)c2ccccc2C(F)(F)F)cs1 ZINC000102413553 495135535 /nfs/dbraw/zinc/13/55/35/495135535.db2.gz NTGBHIOATLLQGG-UHFFFAOYSA-N -1 3 364.414 3.245 20 0 FGADHM Cc1nc2c(c(C(F)(F)F)n1)C[C@@H](C(=O)Nc1cccc([O-])c1F)CC2 ZINC000128688414 495135595 /nfs/dbraw/zinc/13/55/95/495135595.db2.gz NXYNHZUWZDVHIC-VIFPVBQESA-N -1 3 369.318 3.392 20 0 FGADHM C[C@H](NC(=O)c1c[n-]c2ccccc2c1=O)c1noc(-c2ccccc2)n1 ZINC000134355111 495138849 /nfs/dbraw/zinc/13/88/49/495138849.db2.gz QMECBJPSWPWHCH-LBPRGKRZSA-N -1 3 360.373 3.069 20 0 FGADHM CC(=O)N[C@@H](CC(=O)Nc1cccc([O-])c1F)c1ccc(Cl)cc1 ZINC000128733059 495142743 /nfs/dbraw/zinc/14/27/43/495142743.db2.gz BKDDINSTGXAYRM-AWEZNQCLSA-N -1 3 350.777 3.391 20 0 FGADHM Cc1cccc(C(=O)N[C@@H](c2nc(-c3cccnc3)no2)C(C)C)c1[O-] ZINC000102726622 495157122 /nfs/dbraw/zinc/15/71/22/495157122.db2.gz SPHCCWOZPCCBAV-OAHLLOKOSA-N -1 3 352.394 3.273 20 0 FGADHM FC(F)(F)COc1ccc(CSc2n[n-]c(-c3ccccn3)n2)cn1 ZINC000134501288 495159629 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Cn1ccnc1-c1cc(NC(=O)c2cnn(-c3ccccc3)c2C2CC2)[n-]n1 ZINC000119567477 495192489 /nfs/dbraw/zinc/19/24/89/495192489.db2.gz MCHQHOXXJQMDBB-UHFFFAOYSA-N -1 3 373.420 3.126 20 0 FGADHM C[C@@H]1CN(Cc2ccc(C(=O)Nc3cccc([O-])c3F)cc2)C[C@@H](C)O1 ZINC000129077149 495192638 /nfs/dbraw/zinc/19/26/38/495192638.db2.gz WGHZEDJMRMFGRS-ZIAGYGMSSA-N -1 3 358.413 3.393 20 0 FGADHM O=C(Cc1c[nH]c2ccc(Cl)cc12)Nc1nnc(-c2ccccn2)[n-]1 ZINC000119586316 495196400 /nfs/dbraw/zinc/19/64/00/495196400.db2.gz UKQSTRBWWRZSRS-UHFFFAOYSA-N -1 3 352.785 3.183 20 0 FGADHM O=C(Cc1c[nH]c2ccc(Cl)cc12)Nc1nc(-c2ccccn2)n[n-]1 ZINC000119586316 495196403 /nfs/dbraw/zinc/19/64/03/495196403.db2.gz UKQSTRBWWRZSRS-UHFFFAOYSA-N -1 3 352.785 3.183 20 0 FGADHM O=C(Cc1c[nH]c2ccc(Cl)cc12)Nc1n[n-]c(-c2ccccn2)n1 ZINC000119586316 495196408 /nfs/dbraw/zinc/19/64/08/495196408.db2.gz UKQSTRBWWRZSRS-UHFFFAOYSA-N -1 3 352.785 3.183 20 0 FGADHM O=S(=O)([N-]CCc1cccs1)c1ccc(F)cc1C(F)(F)F ZINC000103152477 495199869 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495584490 /nfs/dbraw/zinc/58/44/90/495584490.db2.gz XSJAKFRJGQBYLU-UHFFFAOYSA-N -1 3 372.805 3.112 20 0 FGADHM Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)c2ccc3c(c2)C(=O)[N-]C3=O)o1 ZINC000173566847 495591766 /nfs/dbraw/zinc/59/17/66/495591766.db2.gz SIUHFEMHFOSBER-ZBEGNZNMSA-N -1 3 352.390 3.085 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H](C)CC2)c1 ZINC000179461299 495600132 /nfs/dbraw/zinc/60/01/32/495600132.db2.gz USDGOGMZTZVENG-LBPRGKRZSA-N -1 3 357.410 3.203 20 0 FGADHM C[C@]1(c2cccc(-c3noc(C4=CCCCCC4)n3)c2)NC(=O)[N-]C1=O ZINC000577779861 505791846 /nfs/dbraw/zinc/79/18/46/505791846.db2.gz JDPBGURXGLPUJU-LJQANCHMSA-N -1 3 352.394 3.139 20 0 FGADHM CC(C)[C@@H]([N-]S(=O)(=O)c1cccc2cnccc21)c1nc(C2CC2)no1 ZINC000170787642 495604474 /nfs/dbraw/zinc/60/44/74/495604474.db2.gz ARPUMTJATREZBW-MRXNPFEDSA-N -1 3 372.450 3.171 20 0 FGADHM COc1cccc(C(=O)NCc2ccc([O-])c(Br)c2)c1F ZINC000154403140 495606080 /nfs/dbraw/zinc/60/60/80/495606080.db2.gz CJWBDHXNEGZVGM-UHFFFAOYSA-N -1 3 354.175 3.232 20 0 FGADHM O=C(NC[C@H]1CCCN(Cc2cccs2)C1)c1c([O-])cc(F)cc1F ZINC000150286975 495608507 /nfs/dbraw/zinc/60/85/07/495608507.db2.gz OPMHJLHZRSQYQE-GFCCVEGCSA-N -1 3 366.433 3.374 20 0 FGADHM O=S(=O)([N-]c1c(F)cccc1CO)c1ccc(OC(F)(F)F)cc1 ZINC000158898099 495611389 /nfs/dbraw/zinc/61/13/89/495611389.db2.gz ZHDLDFBQXUSILW-UHFFFAOYSA-N -1 3 365.304 3.017 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]c2cc(CN(C)C)ccn2)ccc1OC(C)C ZINC000176423147 495646382 /nfs/dbraw/zinc/64/63/82/495646382.db2.gz PFWGAANWUYOBPM-UHFFFAOYSA-N -1 3 363.483 3.040 20 0 FGADHM O=C(Cc1cn2ccsc2n1)Nc1cc(Br)ccc1[O-] ZINC000176431242 495648836 /nfs/dbraw/zinc/64/88/36/495648836.db2.gz KEENBEGIUAFOBR-UHFFFAOYSA-N -1 3 352.213 3.045 20 0 FGADHM O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)c1cccc2nn[n-]c21 ZINC000182686246 495663694 /nfs/dbraw/zinc/66/36/94/495663694.db2.gz UCXURVOBMBKHPM-UHFFFAOYSA-N -1 3 369.856 3.006 20 0 FGADHM O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)c1cccc2[n-]nnc21 ZINC000182686246 495663696 /nfs/dbraw/zinc/66/36/96/495663696.db2.gz 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505796960 /nfs/dbraw/zinc/79/69/60/505796960.db2.gz KNNZPFJKQRZQMI-UHFFFAOYSA-N -1 3 372.368 3.020 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)NC[C@@H]3CCOc4ccccc43)c[n-]c12 ZINC000150959564 495694813 /nfs/dbraw/zinc/69/48/13/495694813.db2.gz DIQLJDTUQNUELX-ZDUSSCGKSA-N -1 3 366.392 3.272 20 0 FGADHM Cc1ccc(N2CCOC2=O)cc1NCc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000179766627 495726217 /nfs/dbraw/zinc/72/62/17/495726217.db2.gz ASAOMVQOUVZMLH-UHFFFAOYSA-N -1 3 368.315 3.078 20 0 FGADHM O=C1[C@H]([N-]c2nnc(C(F)(F)F)s2)CCN1c1ccc(Cl)cc1 ZINC000154783792 495728072 /nfs/dbraw/zinc/72/80/72/495728072.db2.gz CHVIAWAESMRRES-SECBINFHSA-N -1 3 362.764 3.428 20 0 FGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@@H]3CS[C@H](C)C3)s2)cs1 ZINC000577830707 505800257 /nfs/dbraw/zinc/80/02/57/505800257.db2.gz ZILRJGKCQYLEEG-SCZZXKLOSA-N -1 3 360.551 3.352 20 0 FGADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C)c2Cl)cc1F ZINC000571729781 505800266 /nfs/dbraw/zinc/80/02/66/505800266.db2.gz PQSUONQNTUQNHE-UHFFFAOYSA-N -1 3 357.790 3.375 20 0 FGADHM 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ZINC000151288930 495795331 /nfs/dbraw/zinc/79/53/31/495795331.db2.gz GLFFXXYSRGWEMO-NSHDSACASA-N -1 3 354.439 3.332 20 0 FGADHM O=C([N-]c1nnc(-c2ccccn2)s1)c1ncccc1C(F)(F)F ZINC000179965620 495802941 /nfs/dbraw/zinc/80/29/41/495802941.db2.gz MTKMKTFGFIWHSN-UHFFFAOYSA-N -1 3 351.313 3.266 20 0 FGADHM COc1ccc(C(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)c([O-])c1 ZINC000174051013 495803342 /nfs/dbraw/zinc/80/33/42/495803342.db2.gz JDNIEHGEEGSJJA-QGZVFWFLSA-N -1 3 354.450 3.137 20 0 FGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)C1(Cc2cccc(F)c2)CCC1 ZINC000185970117 495803619 /nfs/dbraw/zinc/80/36/19/495803619.db2.gz PUXMDVLXEZHTHG-UHFFFAOYSA-N -1 3 365.412 3.035 20 0 FGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)C1(Cc2cccc(F)c2)CCC1 ZINC000185970117 495803623 /nfs/dbraw/zinc/80/36/23/495803623.db2.gz PUXMDVLXEZHTHG-UHFFFAOYSA-N -1 3 365.412 3.035 20 0 FGADHM Cc1nc(C)c(S(=O)(=O)[N-][C@H](c2ccccc2)c2ccncc2)s1 ZINC000176845621 495808883 /nfs/dbraw/zinc/80/88/83/495808883.db2.gz VHGXCZSZIBDVNS-MRXNPFEDSA-N -1 3 359.476 3.223 20 0 FGADHM COc1cc(C(=O)N(C)C)ccc1NC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000183047901 495812457 /nfs/dbraw/zinc/81/24/57/495812457.db2.gz WRPOXBDNDSOAEA-UHFFFAOYSA-N -1 3 368.433 3.234 20 0 FGADHM Cc1noc(C)c1S(=O)(=O)[N-]C[C@H]1CCCO[C@H]1c1ccc(C)cc1 ZINC000174081021 495813928 /nfs/dbraw/zinc/81/39/28/495813928.db2.gz UFJQUOXGBYHMJS-SJORKVTESA-N -1 3 364.467 3.046 20 0 FGADHM CNC(=O)Cn1ccc2ccc(NC(=O)c3c[n-]nc3-c3ccccc3)cc21 ZINC000174086375 495814949 /nfs/dbraw/zinc/81/49/49/495814949.db2.gz VCNROGJJAUJEQX-UHFFFAOYSA-N -1 3 373.416 3.030 20 0 FGADHM Cc1nc(C)c(CCC(=O)N(CC(F)F)c2cccc(Cl)c2)c(=O)[n-]1 ZINC000176933008 495847188 /nfs/dbraw/zinc/84/71/88/495847188.db2.gz BCMPLDVWPWVRAT-UHFFFAOYSA-N -1 3 369.799 3.271 20 0 FGADHM C[C@@H]1CCN(C(=O)c2cc(F)c([O-])c(F)c2)CCN1Cc1ccccc1 ZINC000180096275 495856803 /nfs/dbraw/zinc/85/68/03/495856803.db2.gz GLIYXERKUQSRQX-CQSZACIVSA-N -1 3 360.404 3.407 20 0 FGADHM COC(=O)c1ccc(F)c([N-]C(=O)c2cnc(-c3ccccn3)s2)c1 ZINC000171406848 495859763 /nfs/dbraw/zinc/85/97/63/495859763.db2.gz LUPLNSVUILQLAB-UHFFFAOYSA-N -1 3 357.366 3.383 20 0 FGADHM CSc1cc(C(=O)NCc2ccc([O-])c(Br)c2)ccn1 ZINC000151537868 495871203 /nfs/dbraw/zinc/87/12/03/495871203.db2.gz NLNKYCQMFKFFPK-UHFFFAOYSA-N -1 3 353.241 3.202 20 0 FGADHM O=c1[n-]c(SCc2csc(CCc3ccccc3)n2)nc2[nH]ncc21 ZINC000176992559 495875570 /nfs/dbraw/zinc/87/55/70/495875570.db2.gz FMRPJZHMIOVZTP-UHFFFAOYSA-N -1 3 369.475 3.180 20 0 FGADHM C[C@@H]1C[C@@H](C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)CC(C)(C)C1 ZINC000183208932 495880543 /nfs/dbraw/zinc/88/05/43/495880543.db2.gz ONRACGGGLMMUJG-NVXWUHKLSA-N -1 3 358.482 3.139 20 0 FGADHM CC(C)(C)n1cc(C(=O)NCc2ccc([O-])c(Br)c2)cn1 ZINC000151606006 495892273 /nfs/dbraw/zinc/89/22/73/495892273.db2.gz WGDINVDIOQYXEA-UHFFFAOYSA-N -1 3 352.232 3.036 20 0 FGADHM [O-]c1cc(F)cc(CN2CCC(c3nc(-c4ccccn4)no3)CC2)c1 ZINC000186202726 495893808 /nfs/dbraw/zinc/89/38/08/495893808.db2.gz QYHAQTPUNXOGET-UHFFFAOYSA-N -1 3 354.385 3.356 20 0 FGADHM CCc1nc(C2([N-]S(=O)(=O)C[C@H](C)c3ccccc3)CCCC2)no1 ZINC000151627043 495898436 /nfs/dbraw/zinc/89/84/36/495898436.db2.gz ANGGKUDFEMFUIS-AWEZNQCLSA-N -1 3 363.483 3.124 20 0 FGADHM COc1ccc(S(=O)(=O)[N-][C@H](CC(C)(C)C)C(F)(F)F)cc1OC ZINC000183297278 495920226 /nfs/dbraw/zinc/92/02/26/495920226.db2.gz DKRPOGNVTNJCLA-CYBMUJFWSA-N -1 3 369.405 3.349 20 0 FGADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)NCCC(C)C)cs2)c1 ZINC000183296538 495920352 /nfs/dbraw/zinc/92/03/52/495920352.db2.gz XOYVFCHKFQSWIB-UHFFFAOYSA-N -1 3 361.467 3.114 20 0 FGADHM C[C@@H](CC(=O)N1CC[C@H](C)c2cccc([O-])c21)NC(=O)c1ccccc1 ZINC000186277346 495925146 /nfs/dbraw/zinc/92/51/46/495925146.db2.gz DYVMOMMSSIKWAZ-GJZGRUSLSA-N -1 3 352.434 3.441 20 0 FGADHM CN(CC1CC1)C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000183314129 495927798 /nfs/dbraw/zinc/92/77/98/495927798.db2.gz VOUSJKTUAIIEFV-IBGZPJMESA-N -1 3 352.434 3.122 20 0 FGADHM C[C@H]1CCN(C(=O)c2cccc(CS(C)(=O)=O)c2)c2c([O-])cccc21 ZINC000186300050 495934981 /nfs/dbraw/zinc/93/49/81/495934981.db2.gz YHEUFCRGSJOTNS-ZDUSSCGKSA-N -1 3 359.447 3.091 20 0 FGADHM O=C(NC[C@H]1CCCN(Cc2cccs2)C1)c1cc(F)c([O-])c(F)c1 ZINC000177128201 495939250 /nfs/dbraw/zinc/93/92/50/495939250.db2.gz DSZRYUWKDTYEHR-GFCCVEGCSA-N -1 3 366.433 3.374 20 0 FGADHM COc1cc(C(=O)Nc2cn(-c3ccccc3)nc2C)cc(OC)c1[O-] ZINC000183358857 495945995 /nfs/dbraw/zinc/94/59/95/495945995.db2.gz VPBFBTWXAXTYJD-UHFFFAOYSA-N -1 3 353.378 3.156 20 0 FGADHM CC1(C)[C@H](NCc2nc3c4ccccc4oc3c(=O)[n-]2)[C@@H]2CCCO[C@H]21 ZINC000568946543 505814178 /nfs/dbraw/zinc/81/41/78/505814178.db2.gz GBSXVWFEUGYELC-JBBXEZCESA-N -1 3 353.422 3.375 20 0 FGADHM COc1cccc([C@@H]2[C@@H](C(=O)Nc3ccccc3[O-])CC(=O)N2C2CC2)c1 ZINC000180347062 495961191 /nfs/dbraw/zinc/96/11/91/495961191.db2.gz BTPQHHYIELKTPP-OXJNMPFZSA-N -1 3 366.417 3.092 20 0 FGADHM CC(C)Oc1ccccc1CN1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000177177605 495962462 /nfs/dbraw/zinc/96/24/62/495962462.db2.gz VHSQDGGBXZQURB-UHFFFAOYSA-N -1 3 354.450 3.137 20 0 FGADHM COc1ccccc1-c1nc([N-]C(=O)c2sccc2OC(F)F)n[nH]1 ZINC000155485128 495970954 /nfs/dbraw/zinc/97/09/54/495970954.db2.gz HOHOZJTZWJQKQB-UHFFFAOYSA-N -1 3 366.349 3.396 20 0 FGADHM Cc1cc([N-]C(=O)[C@H](C)Nc2cnn(Cc3ccc(Cl)cc3)c2)on1 ZINC000186379136 495973650 /nfs/dbraw/zinc/97/36/50/495973650.db2.gz HQVFHNRFEDIWSC-LBPRGKRZSA-N -1 3 359.817 3.320 20 0 FGADHM Cc1nc(C)c(CCC(=O)Nc2ccc(OC3CCC3)c(F)c2)c(=O)[n-]1 ZINC000177208734 495978294 /nfs/dbraw/zinc/97/82/94/495978294.db2.gz RSKBGNYIDGLZAD-UHFFFAOYSA-N -1 3 359.401 3.028 20 0 FGADHM O=S(=O)(Cc1ccc(F)cc1)[N-][C@@H](c1nccs1)c1ccccc1 ZINC000171713440 496001576 /nfs/dbraw/zinc/00/15/76/496001576.db2.gz NZYZVSPIJMHYAU-MRXNPFEDSA-N -1 3 362.451 3.491 20 0 FGADHM CCO[C@@H](C)c1nc(CN(C)C(=O)c2cc(OC)ccc2[O-])cs1 ZINC000174548669 496004563 /nfs/dbraw/zinc/00/45/63/496004563.db2.gz QKOBLQDAJGNLGK-NSHDSACASA-N -1 3 350.440 3.227 20 0 FGADHM [O-]c1ccc(CNc2ncncc2Br)cc1Br ZINC000155603062 496009987 /nfs/dbraw/zinc/00/99/87/496009987.db2.gz POZSCXVOQBCPOC-UHFFFAOYSA-N -1 3 359.021 3.319 20 0 FGADHM O=C(CCc1nc(-c2ccsc2)no1)N1CCCc2cccc([O-])c21 ZINC000155627488 496017335 /nfs/dbraw/zinc/01/73/35/496017335.db2.gz KEQCNWWOPCBIKV-UHFFFAOYSA-N -1 3 355.419 3.416 20 0 FGADHM Cc1nn(C)cc1[C@H](C)NC(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000186528568 496032231 /nfs/dbraw/zinc/03/22/31/496032231.db2.gz DGPJHWIJNJPDRX-ZDUSSCGKSA-N -1 3 363.417 3.156 20 0 FGADHM O=C(C[C@H]1Sc2ccccc2NC1=O)N1CCCc2cccc([O-])c21 ZINC000155681791 496035112 /nfs/dbraw/zinc/03/51/12/496035112.db2.gz PLYWCNICAQNWCE-MRXNPFEDSA-N -1 3 354.431 3.175 20 0 FGADHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N(CC)Cc1ccccc1 ZINC000174688761 496062892 /nfs/dbraw/zinc/06/28/92/496062892.db2.gz CWONHEWETFKPPV-UHFFFAOYSA-N -1 3 374.462 3.220 20 0 FGADHM C[C@@H]1CN(C(=O)c2c[n-]c3ccccc3c2=O)C[C@H](c2ccc(F)cc2)O1 ZINC000152155742 496063891 /nfs/dbraw/zinc/06/38/91/496063891.db2.gz LFHQUOZYJHTYIT-BFUOFWGJSA-N -1 3 366.392 3.269 20 0 FGADHM C[C@@]1(c2cccc(NC(=O)CC/C=C/c3ccccc3)c2)NC(=O)[N-]C1=O ZINC000152303918 496111252 /nfs/dbraw/zinc/11/12/52/496111252.db2.gz YOLPSQQIWJBBJI-XFYVYHTKSA-N -1 3 363.417 3.173 20 0 FGADHM C[C@@H]1CCC[C@@H](CC(=O)Nc2cc(N3CCCS3(=O)=O)ccc2[O-])C1 ZINC000155933500 496111202 /nfs/dbraw/zinc/11/12/02/496111202.db2.gz SFSUYSNGXOZTAW-ZIAGYGMSSA-N -1 3 366.483 3.087 20 0 FGADHM CN(C)CCN(Cc1ccc(F)cc1F)C(=O)c1cc(F)c([O-])c(F)c1 ZINC000186716031 496119376 /nfs/dbraw/zinc/11/93/76/496119376.db2.gz RBWQHAFTIIMNID-UHFFFAOYSA-N -1 3 370.346 3.153 20 0 FGADHM CN1CC[C@H](CNC(=O)c2ncccc2[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000155991417 496128160 /nfs/dbraw/zinc/12/81/60/496128160.db2.gz UJMDEFDITIMLPT-PXAZEXFGSA-N -1 3 363.820 3.003 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NC2CC(C(C)(C)C)C2)c1 ZINC000580733494 505825180 /nfs/dbraw/zinc/82/51/80/505825180.db2.gz FAZNKDCYXHDKMO-UHFFFAOYSA-N -1 3 371.437 3.495 20 0 FGADHM CSc1nsc([N-]C(=O)c2nnn(-c3cccc(Cl)c3)c2C)n1 ZINC000156043646 496141790 /nfs/dbraw/zinc/14/17/90/496141790.db2.gz LFWPCMHGZWRWAK-UHFFFAOYSA-N -1 3 366.859 3.055 20 0 FGADHM COc1nn(C)c2nc(C)c(CCC(=O)Nc3cc(F)ccc3[O-])c(C)c12 ZINC000174884019 496148268 /nfs/dbraw/zinc/14/82/68/496148268.db2.gz BOGXQHHRGDVXKO-UHFFFAOYSA-N -1 3 372.400 3.010 20 0 FGADHM CCC[C@H]1CCc2ccccc2N1C(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000152441329 496152800 /nfs/dbraw/zinc/15/28/00/496152800.db2.gz MQXJTRKORKWBFG-KRWDZBQOSA-N -1 3 353.466 3.467 20 0 FGADHM COc1ccc2c(c1)[n-]cc(C(=O)N(C)CCc1ncc(C)s1)c2=O ZINC000152441086 496153191 /nfs/dbraw/zinc/15/31/91/496153191.db2.gz YMLJEXFCHOGRCI-UHFFFAOYSA-N -1 3 357.435 3.029 20 0 FGADHM C[C@H](c1ccc(-n2cncn2)cc1)N(C)CCOc1ccccc1C(=O)[O-] ZINC000183911478 496158053 /nfs/dbraw/zinc/15/80/53/496158053.db2.gz VNZWTCPKRQDPBM-OAHLLOKOSA-N -1 3 366.421 3.037 20 0 FGADHM CO[C@H](C)CCC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000183917480 496160053 /nfs/dbraw/zinc/16/00/53/496160053.db2.gz FFAISQGHKDNBMQ-GFCCVEGCSA-N -1 3 368.861 3.038 20 0 FGADHM O=C(NC1CCN(Cc2cccnc2)CC1)c1cc2ccccc2cc1[O-] ZINC000172115043 496172205 /nfs/dbraw/zinc/17/22/05/496172205.db2.gz JJEVJBXIXFLAIC-UHFFFAOYSA-N -1 3 361.445 3.335 20 0 FGADHM O=C([N-]c1n[nH]c(Cc2cccc(F)c2)n1)c1ccc(Br)o1 ZINC000180875743 496182378 /nfs/dbraw/zinc/18/23/78/496182378.db2.gz NUVQOTVLZCHECA-UHFFFAOYSA-N -1 3 365.162 3.142 20 0 FGADHM O=C(CS(=O)(=O)c1cccc([O-])c1)Nc1ccc(Cl)cc1Cl ZINC000183978713 496185967 /nfs/dbraw/zinc/18/59/67/496185967.db2.gz AUCZQIBMFHKLNM-UHFFFAOYSA-N -1 3 360.218 3.111 20 0 FGADHM O=S(=O)(Cc1nnc(-c2ccccc2Cl)o1)c1cccc([O-])c1 ZINC000183980166 496186118 /nfs/dbraw/zinc/18/61/18/496186118.db2.gz PAOZQVNMYMVUJA-UHFFFAOYSA-N -1 3 350.783 3.070 20 0 FGADHM C[C@@H](C(=O)Nc1cccc(Br)c1)[S@@](=O)c1cccc([O-])c1 ZINC000184048696 496218189 /nfs/dbraw/zinc/21/81/89/496218189.db2.gz ICHNYUAWNMOZMI-CHNSCGDPSA-N -1 3 368.252 3.290 20 0 FGADHM CC(C)N(C(=O)Cc1csc(NC(=O)c2cccc([O-])c2)n1)C1CCC1 ZINC000180991120 496232266 /nfs/dbraw/zinc/23/22/66/496232266.db2.gz MOGFUQWVWYWZMJ-UHFFFAOYSA-N -1 3 373.478 3.433 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-][C@H](C)CCc1ccc(OC)cc1 ZINC000156466547 496253170 /nfs/dbraw/zinc/25/31/70/496253170.db2.gz ZMUSBNJXYGUJNV-GFCCVEGCSA-N -1 3 355.481 3.065 20 0 FGADHM CCc1ccc([C@@H](CO)[N-]S(=O)(=O)c2cc(F)ccc2Cl)cc1 ZINC000156535592 496272356 /nfs/dbraw/zinc/27/23/56/496272356.db2.gz BMEOHANWURRXGJ-OAHLLOKOSA-N -1 3 357.834 3.053 20 0 FGADHM CS(=O)(=O)[N-]c1cc(NC(=O)c2cccc(Cl)c2F)ccc1F ZINC000177987563 496276912 /nfs/dbraw/zinc/27/69/12/496276912.db2.gz NBOLBAOCWALXJS-UHFFFAOYSA-N -1 3 360.769 3.242 20 0 FGADHM CCC(CC)N(CC(C)C)C(=O)c1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000178018417 496289403 /nfs/dbraw/zinc/28/94/03/496289403.db2.gz ZNYQVBMCQWTCIF-FQEVSTJZSA-N -1 3 359.470 3.028 20 0 FGADHM Cc1ccsc1C[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000162064610 496289917 /nfs/dbraw/zinc/28/99/17/496289917.db2.gz DWNMPVPJKSCKHK-UHFFFAOYSA-N -1 3 364.261 3.437 20 0 FGADHM O=C(CCc1nc2ccccc2[nH]1)NCc1ccc([O-])c(Br)c1 ZINC000178021187 496290069 /nfs/dbraw/zinc/29/00/69/496290069.db2.gz WNACQECTCNLNGB-UHFFFAOYSA-N -1 3 374.238 3.280 20 0 FGADHM CCCCNC(=O)C1CCN(C(=O)c2c[n-]c3c(C)cccc3c2=O)CC1 ZINC000162093874 496294486 /nfs/dbraw/zinc/29/44/86/496294486.db2.gz SUBBIRAWWAAIHY-UHFFFAOYSA-N -1 3 369.465 3.017 20 0 FGADHM C[C@@H]1CN(c2ccccc2NC([O-])=NOCCC(F)(F)F)C[C@H](C)O1 ZINC000156628196 496297839 /nfs/dbraw/zinc/29/78/39/496297839.db2.gz SROWRBDRIFANIN-TXEJJXNPSA-N -1 3 361.364 3.306 20 0 FGADHM C[C@@H]1CN(c2ccccc2NC(=O)[N-]OCCC(F)(F)F)C[C@H](C)O1 ZINC000156628196 496297843 /nfs/dbraw/zinc/29/78/43/496297843.db2.gz SROWRBDRIFANIN-TXEJJXNPSA-N -1 3 361.364 3.306 20 0 FGADHM C[C@H](c1nc2ccccc2o1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000181176729 496298400 /nfs/dbraw/zinc/29/84/00/496298400.db2.gz CEEOGERMVFUMSB-CQSZACIVSA-N -1 3 351.406 3.052 20 0 FGADHM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cc(C)oc2C)c1C ZINC000184282627 496318582 /nfs/dbraw/zinc/31/85/82/496318582.db2.gz OUFSMAUXEWACHY-UHFFFAOYSA-N -1 3 357.815 3.446 20 0 FGADHM Cc1c(C(=O)Nc2cccc(-c3nc(C)cc(=O)[n-]3)c2)cnn1CC(C)C ZINC000162250511 496322971 /nfs/dbraw/zinc/32/29/71/496322971.db2.gz YJJNVEDZUIGQJO-UHFFFAOYSA-N -1 3 365.437 3.159 20 0 FGADHM CSc1c(F)cc(NC(=O)[C@H]2CC[C@@H](C(F)(F)F)[N-]C2=O)cc1F ZINC000184344874 496343625 /nfs/dbraw/zinc/34/36/25/496343625.db2.gz PTDHOGNWEADMJE-XCBNKYQSSA-N -1 3 368.327 3.082 20 0 FGADHM O=C(N[C@@H](c1c(F)cccc1F)C(F)(F)F)c1ccc2n[n-]nc2c1 ZINC000181347850 496361967 /nfs/dbraw/zinc/36/19/67/496361967.db2.gz XNRYIVQJYMIXIV-ZDUSSCGKSA-N -1 3 356.254 3.270 20 0 FGADHM Cc1cccc(S(=O)(=O)[N-][C@@H](C)c2noc(-c3ccccc3)n2)c1F ZINC000181374688 496371105 /nfs/dbraw/zinc/37/11/05/496371105.db2.gz ZBKJEOCFDAVEID-LBPRGKRZSA-N -1 3 361.398 3.224 20 0 FGADHM Cc1ccc(-c2cc(C(=O)Nc3nc(-c4nccn4C)cs3)n[n-]2)o1 ZINC000178222534 496374363 /nfs/dbraw/zinc/37/43/63/496374363.db2.gz WSLZELXSCOIUGR-UHFFFAOYSA-N -1 3 354.395 3.087 20 0 FGADHM Cc1ccc(-c2cc(C(=O)Nc3nc(-c4nccn4C)cs3)[n-]n2)o1 ZINC000178222534 496374364 /nfs/dbraw/zinc/37/43/64/496374364.db2.gz WSLZELXSCOIUGR-UHFFFAOYSA-N -1 3 354.395 3.087 20 0 FGADHM C[C@@H](NC(=O)Cc1ccc([O-])cc1Cl)c1nc(Cc2ccccc2)no1 ZINC000157012738 496385603 /nfs/dbraw/zinc/38/56/03/496385603.db2.gz SHIBHSJKRHVOPR-GFCCVEGCSA-N -1 3 371.824 3.439 20 0 FGADHM CC[C@](C)([N-]S(=O)(=O)c1cnc(-c2ccccc2)nc1)c1nccs1 ZINC000187314484 496389535 /nfs/dbraw/zinc/38/95/35/496389535.db2.gz FJCGQBHUJMAFJK-KRWDZBQOSA-N -1 3 374.491 3.204 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccnn3C(C)C)c2)n1 ZINC000153260563 496400293 /nfs/dbraw/zinc/40/02/93/496400293.db2.gz PFYAPJJYHLESJJ-UHFFFAOYSA-N -1 3 351.410 3.029 20 0 FGADHM Cc1ccc(C)c([C@H]2CN(C(=O)c3ccc4n[n-]nc4c3)[C@@H](C)CO2)c1 ZINC000172728280 496404971 /nfs/dbraw/zinc/40/49/71/496404971.db2.gz RTMBGQQERKKQQG-IFXJQAMLSA-N -1 3 350.422 3.177 20 0 FGADHM CCC(CC)n1nc(C)cc1C(=O)Nc1nc2cccc(C(=O)OC)c2[n-]1 ZINC000181468721 496408883 /nfs/dbraw/zinc/40/88/83/496408883.db2.gz QGVZQTIHKYBREK-UHFFFAOYSA-N -1 3 369.425 3.468 20 0 FGADHM CCC(CC)n1nc(C)cc1C(=O)Nc1nc2c(cccc2C(=O)OC)[n-]1 ZINC000181468721 496408888 /nfs/dbraw/zinc/40/88/88/496408888.db2.gz QGVZQTIHKYBREK-UHFFFAOYSA-N -1 3 369.425 3.468 20 0 FGADHM COc1ccc(-c2noc(CCCC(=O)[N-]OCCC(F)(F)F)n2)cc1 ZINC000162811749 496417238 /nfs/dbraw/zinc/41/72/38/496417238.db2.gz VTSLSUAQPRRJED-UHFFFAOYSA-N -1 3 373.331 3.068 20 0 FGADHM O=C(c1cccc2nn[n-]c21)N1CCCc2cc(Br)ccc21 ZINC000187384297 496420050 /nfs/dbraw/zinc/42/00/50/496420050.db2.gz UVTNQTCXMKPLCW-UHFFFAOYSA-N -1 3 357.211 3.313 20 0 FGADHM O=C(c1cccc2[n-]nnc21)N1CCCc2cc(Br)ccc21 ZINC000187384297 496420055 /nfs/dbraw/zinc/42/00/55/496420055.db2.gz UVTNQTCXMKPLCW-UHFFFAOYSA-N -1 3 357.211 3.313 20 0 FGADHM O=C(c1cccc2n[n-]nc21)N1CCCc2cc(Br)ccc21 ZINC000187384297 496420058 /nfs/dbraw/zinc/42/00/58/496420058.db2.gz UVTNQTCXMKPLCW-UHFFFAOYSA-N -1 3 357.211 3.313 20 0 FGADHM O=C(Nc1ccccc1[O-])C1CCN(C(=O)c2cccc3cc[nH]c32)CC1 ZINC000178347670 496422505 /nfs/dbraw/zinc/42/25/05/496422505.db2.gz 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/nfs/dbraw/zinc/84/29/33/496842933.db2.gz XQWQTHVZJHHIEP-SECBINFHSA-N -1 3 356.348 3.213 20 0 FGADHM CCSc1cc(C[N-]S(=O)(=O)c2c(F)cccc2Cl)ccn1 ZINC000188631134 496857958 /nfs/dbraw/zinc/85/79/58/496857958.db2.gz KTTFLPBPJWHGBX-UHFFFAOYSA-N -1 3 360.863 3.465 20 0 FGADHM CN(Cc1cc2c(cc1Cl)OCCO2)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000578137372 505870800 /nfs/dbraw/zinc/87/08/00/505870800.db2.gz FIQOFRAJXXTPGE-MRXNPFEDSA-N -1 3 361.825 3.239 20 0 FGADHM O=C(C[C@@H]1CCCN1C(=O)c1cc(F)cc2[n-]nnc21)c1cccs1 ZINC000277824402 496901496 /nfs/dbraw/zinc/90/14/96/496901496.db2.gz XFLTXPKRADEAPJ-NSHDSACASA-N -1 3 358.398 3.036 20 0 FGADHM O=C(C[C@@H]1CCCN1C(=O)c1cc(F)cc2nn[n-]c21)c1cccs1 ZINC000277824402 496901500 /nfs/dbraw/zinc/90/15/00/496901500.db2.gz XFLTXPKRADEAPJ-NSHDSACASA-N -1 3 358.398 3.036 20 0 FGADHM O=C(C[C@@H]1CCCN1C(=O)c1cc(F)cc2n[n-]nc21)c1cccs1 ZINC000277824402 496901505 /nfs/dbraw/zinc/90/15/05/496901505.db2.gz XFLTXPKRADEAPJ-NSHDSACASA-N -1 3 358.398 3.036 20 0 FGADHM CCOC(=O)c1cc(C)sc1[N-]C(=O)c1cnc(-c2ncccn2)s1 ZINC000195372990 496904879 /nfs/dbraw/zinc/90/48/79/496904879.db2.gz CUZNZKXENUSXPU-UHFFFAOYSA-N -1 3 374.447 3.399 20 0 FGADHM COc1cc(C[N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)ccn1 ZINC000191868203 496914992 /nfs/dbraw/zinc/91/49/92/496914992.db2.gz KWEVBBPHTZJFDK-UHFFFAOYSA-N -1 3 365.213 3.015 20 0 FGADHM O=S(=O)(Cc1cc(Cl)ccc1F)[N-][C@@H]1COCc2ccccc21 ZINC000580941207 505873285 /nfs/dbraw/zinc/87/32/85/505873285.db2.gz JZLWLLZEIXXINZ-MRXNPFEDSA-N -1 3 355.818 3.170 20 0 FGADHM O=c1[nH]c(CC(F)(F)F)c([O-])n1-c1cccc(COCc2ccco2)c1 ZINC000277918817 496935474 /nfs/dbraw/zinc/93/54/74/496935474.db2.gz AYPGKYIPAKLLPF-CQSZACIVSA-N -1 3 368.311 3.374 20 0 FGADHM COc1ccc(CNC[C@H](c2ccco2)N(C)C)c(Br)c1[O-] ZINC000273864335 496935576 /nfs/dbraw/zinc/93/55/76/496935576.db2.gz VAQALCHLJGGFBF-GFCCVEGCSA-N -1 3 369.259 3.149 20 0 FGADHM CCc1ccc(C(=O)N[C@H](c2nccn2C)c2cccc(F)c2)c([O-])c1 ZINC000188889566 496937734 /nfs/dbraw/zinc/93/77/34/496937734.db2.gz 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ZINC000273950319 496969898 /nfs/dbraw/zinc/96/98/98/496969898.db2.gz MLDVAOXRGJYQAK-UHFFFAOYSA-N -1 3 372.421 3.108 20 0 FGADHM CC(C)NC(=O)Cc1noc(-c2cc(OCc3ccccc3)ccc2[O-])n1 ZINC000278093878 497002724 /nfs/dbraw/zinc/00/27/24/497002724.db2.gz OSCQVTKWRDLGKI-UHFFFAOYSA-N -1 3 367.405 3.088 20 0 FGADHM O=C([O-])[C@H](c1c(F)cccc1Cl)N1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000580964310 505878892 /nfs/dbraw/zinc/87/88/92/505878892.db2.gz WSIMECMHDGSPKF-MJEQTWJJSA-N -1 3 355.837 3.478 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CC[C@H](C)[C@@H](C)C2)c1 ZINC000248492697 497026031 /nfs/dbraw/zinc/02/60/31/497026031.db2.gz JMNXXEBEIRXKIL-SGMGOOAPSA-N -1 3 371.437 3.495 20 0 FGADHM C[C@@H]1CCN(C(=O)c2cc(Br)nn2C)c2c([O-])cccc21 ZINC000192213306 497034788 /nfs/dbraw/zinc/03/47/88/497034788.db2.gz NVBLRNZKARVMJA-SECBINFHSA-N -1 3 350.216 3.042 20 0 FGADHM COc1ccc(OC)c([C@H]2C[C@H]2c2nc(-c3ccc4n[n-]nc4c3)no2)c1 ZINC000572068997 505881369 /nfs/dbraw/zinc/88/13/69/505881369.db2.gz 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ZINC000574926201 505884334 /nfs/dbraw/zinc/88/43/34/505884334.db2.gz WVSXQXFGRBGXOW-UHFFFAOYSA-N -1 3 356.323 3.444 20 0 FGADHM CCCN1CCN(C(=O)c2cc(C(F)(F)F)[n-]n2)c2cc(F)ccc21 ZINC000574926201 505884337 /nfs/dbraw/zinc/88/43/37/505884337.db2.gz WVSXQXFGRBGXOW-UHFFFAOYSA-N -1 3 356.323 3.444 20 0 FGADHM CSCCCCC[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000229508816 497097852 /nfs/dbraw/zinc/09/78/52/497097852.db2.gz IVLYSNQRPVWKJT-UHFFFAOYSA-N -1 3 370.309 3.400 20 0 FGADHM COc1ccc(Br)cc1S(=O)(=O)[N-]C[C@@H]1CC[C@H](C)C1 ZINC000230519003 497105070 /nfs/dbraw/zinc/10/50/70/497105070.db2.gz GXWXRRYLJDPUAG-WDEREUQCSA-N -1 3 362.289 3.172 20 0 FGADHM O=C(Cc1cncc([O-])c1)N1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000574926402 505884932 /nfs/dbraw/zinc/88/49/32/505884932.db2.gz BJQKBDONCRHDLY-CQSZACIVSA-N -1 3 367.232 3.316 20 0 FGADHM C[C@@H]1CCN(C(=O)NCc2ccc([O-])c(Br)c2)CCS1 ZINC000192431179 497112437 /nfs/dbraw/zinc/11/24/37/497112437.db2.gz ISZIVDFMHOEVMM-SNVBAGLBSA-N -1 3 359.289 3.192 20 0 FGADHM CCOC(=O)c1sc([N-]C(=O)c2cc(COC(C)(C)C)on2)nc1C ZINC000274521054 497116332 /nfs/dbraw/zinc/11/63/32/497116332.db2.gz OZOUNNKCJYXRPC-UHFFFAOYSA-N -1 3 367.427 3.184 20 0 FGADHM Cn1[n-]c(-c2ccccc2Cl)nc1=NC(=O)c1cc2ccccc2n1C ZINC000574950256 505889447 /nfs/dbraw/zinc/88/94/47/505889447.db2.gz OLQPTEJIUNFIJM-UHFFFAOYSA-N -1 3 365.824 3.301 20 0 FGADHM COc1cc(C(=O)N[C@H](c2ccccc2)[C@@H]2CCCO2)cc(OC)c1[O-] ZINC000270705749 497184295 /nfs/dbraw/zinc/18/42/95/497184295.db2.gz NEGPNWXRZRVROC-MAUKXSAKSA-N -1 3 357.406 3.060 20 0 FGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]CCc1cccc(Cl)c1 ZINC000189665531 497202537 /nfs/dbraw/zinc/20/25/37/497202537.db2.gz USELYUDSYWSIAS-UHFFFAOYSA-N -1 3 373.883 3.018 20 0 FGADHM C[C@H]([N-]S(=O)(=O)CCc1cccs1)c1noc(-c2ccccc2)n1 ZINC000189727553 497224574 /nfs/dbraw/zinc/22/45/74/497224574.db2.gz NPAGMOVJKFJMGU-LBPRGKRZSA-N -1 3 363.464 3.021 20 0 FGADHM COc1cc(C(=O)NCc2cc(C)ccc2OC(F)F)cc(OC)c1[O-] ZINC000270925464 497227858 /nfs/dbraw/zinc/22/78/58/497227858.db2.gz 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ZINC000278976930 497288189 /nfs/dbraw/zinc/28/81/89/497288189.db2.gz YBNRHNHWHZRRCZ-NSHDSACASA-N -1 3 364.795 3.392 20 0 FGADHM CC(C)(C)n1cc(C(=O)[N-]c2nnc(-c3ccccc3Cl)s2)nn1 ZINC000189995453 497318683 /nfs/dbraw/zinc/31/86/83/497318683.db2.gz YFVTUDHUAJDTKT-UHFFFAOYSA-N -1 3 362.846 3.457 20 0 FGADHM Cc1cccc(CNC(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)c1 ZINC000193232635 497329497 /nfs/dbraw/zinc/32/94/97/497329497.db2.gz WWOSODNZLJJHBF-UHFFFAOYSA-N -1 3 367.449 3.261 20 0 FGADHM O=C(Nc1cccc(CC(F)(F)F)c1)[C@H]1CC[C@H](C(F)(F)F)[N-]C1=O ZINC000266422279 497336015 /nfs/dbraw/zinc/33/60/15/497336015.db2.gz PBPZCLZKJAUCLB-GHMZBOCLSA-N -1 3 368.277 3.187 20 0 FGADHM CN(Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1)C[C@@H]1CCC[C@H]1O ZINC000253555634 497340742 /nfs/dbraw/zinc/34/07/42/497340742.db2.gz ISAISHXMXUHWPX-WCQYABFASA-N -1 3 359.451 3.250 20 0 FGADHM CCc1onc(C)c1C(=O)Nc1cccc(-c2nc(CC)cc(=O)[n-]2)c1 ZINC000193340087 497355149 /nfs/dbraw/zinc/35/51/49/497355149.db2.gz PMEWARDYCGUMGH-UHFFFAOYSA-N -1 3 352.394 3.110 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)c1 ZINC000266501486 497358276 /nfs/dbraw/zinc/35/82/76/497358276.db2.gz KVALRACVLSRGFU-BLVKFPJESA-N -1 3 372.396 3.092 20 0 FGADHM Cc1cc(C)c([N-]c2nnc(SCc3nnn(C)n3)s2)c(Cl)c1 ZINC000193367613 497362188 /nfs/dbraw/zinc/36/21/88/497362188.db2.gz SPHMHDVQCUFTIN-UHFFFAOYSA-N -1 3 367.891 3.368 20 0 FGADHM CC(C)CO[C@H](C)c1noc(CO[N-]C(=O)c2c(F)cccc2Cl)n1 ZINC000266626003 497385153 /nfs/dbraw/zinc/38/51/53/497385153.db2.gz NKFXOUSVFRYGOQ-SNVBAGLBSA-N -1 3 371.796 3.457 20 0 FGADHM CN(C)CCc1ccccc1[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000275792875 497434103 /nfs/dbraw/zinc/43/41/03/497434103.db2.gz NZBCKFHBUAKNJG-UHFFFAOYSA-N -1 3 358.385 3.009 20 0 FGADHM O=C(CCCCN1C(=O)c2ccccc2C1=O)Nc1cc(Cl)ccc1[O-] ZINC000575031156 505907491 /nfs/dbraw/zinc/90/74/91/505907491.db2.gz NVOIKYSJERGCAT-UHFFFAOYSA-N -1 3 372.808 3.451 20 0 FGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1ccc(N2CCCCC2)cc1 ZINC000266939799 497451906 /nfs/dbraw/zinc/45/19/06/497451906.db2.gz PWRBGYYZQMDCSX-UHFFFAOYSA-N -1 3 373.478 3.301 20 0 FGADHM [O-]C(=NOC1CCCC1)Nc1ccc2nc(N3CCOCC3)sc2c1 ZINC000271809422 497457685 /nfs/dbraw/zinc/45/76/85/497457685.db2.gz OBZQHDYNPSRURG-UHFFFAOYSA-N -1 3 362.455 3.129 20 0 FGADHM O=C([N-]OC1CCCC1)Nc1ccc2nc(N3CCOCC3)sc2c1 ZINC000271809422 497457688 /nfs/dbraw/zinc/45/76/88/497457688.db2.gz OBZQHDYNPSRURG-UHFFFAOYSA-N -1 3 362.455 3.129 20 0 FGADHM CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000261854535 497462371 /nfs/dbraw/zinc/46/23/71/497462371.db2.gz JTFLAMUBGWXYOH-FMGDLQRFSA-N -1 3 359.253 3.170 20 0 FGADHM CCCCS(=O)(=O)Cc1nc(=O)c2c3c(sc2[n-]1)C[C@H](CC)CC3 ZINC000190409060 497467438 /nfs/dbraw/zinc/46/74/38/497467438.db2.gz DTTQSYKYWNTVAO-LLVKDONJSA-N -1 3 368.524 3.214 20 0 FGADHM Cc1ccc(NC([O-])=NOCc2cccnc2)cc1C(=O)N(C)C(C)C ZINC000193750653 497468218 /nfs/dbraw/zinc/46/82/18/497468218.db2.gz GXPPWPDETAZSKT-UHFFFAOYSA-N -1 3 356.426 3.124 20 0 FGADHM Cc1ccc(NC(=O)[N-]OCc2cccnc2)cc1C(=O)N(C)C(C)C ZINC000193750653 497468222 /nfs/dbraw/zinc/46/82/22/497468222.db2.gz GXPPWPDETAZSKT-UHFFFAOYSA-N -1 3 356.426 3.124 20 0 FGADHM CCc1cc(=O)[n-]c(CN[C@@H](C)c2ccc(Br)cc2OC)n1 ZINC000190423967 497473300 /nfs/dbraw/zinc/47/33/00/497473300.db2.gz VHJWAIQKNKJGME-JTQLQIEISA-N -1 3 366.259 3.367 20 0 FGADHM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3c4c(ccc3Cl)OCC4)ccc2O1 ZINC000572185893 505909288 /nfs/dbraw/zinc/90/92/88/505909288.db2.gz VWRBAPCXCXGPQN-SNVBAGLBSA-N -1 3 365.838 3.399 20 0 FGADHM CC[C@H](NC(=O)CN1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000262126699 497512314 /nfs/dbraw/zinc/51/23/14/497512314.db2.gz KHFLJRVFOXFINX-URLQWDBASA-N -1 3 364.873 3.094 20 0 FGADHM CCOCCCC[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000193904804 497515232 /nfs/dbraw/zinc/51/52/32/497515232.db2.gz NCPGJBHXYHIXSH-UHFFFAOYSA-N -1 3 359.797 3.454 20 0 FGADHM O=C(CN1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1)Nc1ccccc1-c1ccccc1 ZINC000262157412 497516614 /nfs/dbraw/zinc/51/66/14/497516614.db2.gz NRQJWVOKMPBVMU-HTAPYJJXSA-N -1 3 364.445 3.479 20 0 FGADHM C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000262155475 497517054 /nfs/dbraw/zinc/51/70/54/497517054.db2.gz NLVATYMWPZWGOO-BTJLNZGRSA-N -1 3 370.371 3.219 20 0 FGADHM O=S(=O)([N-]CCCOC(F)F)c1cc(C(F)(F)F)ccc1Cl ZINC000193969623 497534994 /nfs/dbraw/zinc/53/49/94/497534994.db2.gz PGRFIQYQRUDBFA-UHFFFAOYSA-N -1 3 367.723 3.266 20 0 FGADHM C[C@@H](O)[C@](C)(C[N-]S(=O)(=O)c1ccc(Cl)s1)Cc1ccccc1 ZINC000190547982 497524689 /nfs/dbraw/zinc/52/46/89/497524689.db2.gz INCHBEGKWLFYQE-WBMJQRKESA-N -1 3 373.927 3.310 20 0 FGADHM [O-]C(=NOC[C@@H]1CCOC1)Nc1ncc(Cc2ccccc2Cl)s1 ZINC000276280039 497534964 /nfs/dbraw/zinc/53/49/64/497534964.db2.gz WOYRYGNYBHXWHQ-LLVKDONJSA-N -1 3 367.858 3.477 20 0 FGADHM O=C([N-]OC[C@@H]1CCOC1)Nc1ncc(Cc2ccccc2Cl)s1 ZINC000276280039 497534969 /nfs/dbraw/zinc/53/49/69/497534969.db2.gz WOYRYGNYBHXWHQ-LLVKDONJSA-N -1 3 367.858 3.477 20 0 FGADHM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)C1CCN(Cc2ccccc2)CC1 ZINC000262304370 497537648 /nfs/dbraw/zinc/53/76/48/497537648.db2.gz ARYOPBDAXLXDIP-ZCNNSNEGSA-N -1 3 370.493 3.143 20 0 FGADHM COc1ccc(N[C@H](C)c2ccc3c(c2)COC3)cc1[N-]S(C)(=O)=O ZINC000272119796 497540685 /nfs/dbraw/zinc/54/06/85/497540685.db2.gz RZAZPTOIJOGMRV-GFCCVEGCSA-N -1 3 362.451 3.270 20 0 FGADHM CSC1(C[N-]S(=O)(=O)c2ccc(Br)cc2Cl)CC1 ZINC000194018561 497549496 /nfs/dbraw/zinc/54/94/96/497549496.db2.gz GJDVGZUTYLYWPV-UHFFFAOYSA-N -1 3 370.721 3.276 20 0 FGADHM [O-]C(=NO[C@H]1CCCCO1)Nc1cc(F)cc(F)c1Br ZINC000190641030 497555764 /nfs/dbraw/zinc/55/57/64/497555764.db2.gz HJDSAGFLPLPSPB-JTQLQIEISA-N -1 3 351.147 3.307 20 0 FGADHM O=C([N-]O[C@H]1CCCCO1)Nc1cc(F)cc(F)c1Br ZINC000190641030 497555767 /nfs/dbraw/zinc/55/57/67/497555767.db2.gz HJDSAGFLPLPSPB-JTQLQIEISA-N -1 3 351.147 3.307 20 0 FGADHM O=C([N-]OC[C@@H]1CCOC1)Nc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000276375769 497557999 /nfs/dbraw/zinc/55/79/99/497557999.db2.gz 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Cc1noc(C)c1S(=O)(=O)[N-]C[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000190765991 497598430 /nfs/dbraw/zinc/59/84/30/497598430.db2.gz LHIVIMFVEFZRAR-SECBINFHSA-N -1 3 362.373 3.392 20 0 FGADHM C[C@@H]1CN(Cc2ccccc2)CC[C@H]1N=c1[n-]nc(C2CCOCC2)s1 ZINC000569360454 505917040 /nfs/dbraw/zinc/91/70/40/505917040.db2.gz VPTHTZUBBAIQLC-CRAIPNDOSA-N -1 3 372.538 3.177 20 0 FGADHM CCc1ccc(C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)c([O-])c1 ZINC000276600327 497610122 /nfs/dbraw/zinc/61/01/22/497610122.db2.gz XYSLXAZRWBQESJ-BBRMVZONSA-N -1 3 362.470 3.330 20 0 FGADHM COc1cc(=NC(=O)N[C@H]2CCC[C@@H](c3ccc(Cl)cc3)C2)[n-]n1C ZINC000575092949 505919430 /nfs/dbraw/zinc/91/94/30/505919430.db2.gz SZEAWKPHPSTPOO-HIFRSBDPSA-N -1 3 362.861 3.352 20 0 FGADHM Cc1cc(CNC(=O)c2cc(=O)[n-]c(C3CC3)n2)ccc1Br ZINC000569376830 505920692 /nfs/dbraw/zinc/92/06/92/505920692.db2.gz HTLWAMCPFWXGGI-UHFFFAOYSA-N -1 3 362.227 3.061 20 0 FGADHM CCN(CC1CCN(c2ccccn2)CC1)C(=O)c1ccc([O-])c(OC)c1 ZINC000268068769 497672812 /nfs/dbraw/zinc/67/28/12/497672812.db2.gz ITPMOQRNBIPUHV-UHFFFAOYSA-N -1 3 369.465 3.175 20 0 FGADHM C[C@@H](c1nc(C(F)(F)F)cs1)N1C(=O)[N-][C@H](CC(F)(F)F)C1=O ZINC000280196076 497677782 /nfs/dbraw/zinc/67/77/82/497677782.db2.gz SMSMPBDNKGFMHR-CRCLSJGQSA-N -1 3 361.267 3.096 20 0 FGADHM COc1cc(Br)c(CNCCC(C)(C)C(=O)[O-])cc1OC ZINC000263058681 497694616 /nfs/dbraw/zinc/69/46/16/497694616.db2.gz MGTNHFCLCPKFSB-UHFFFAOYSA-N -1 3 360.248 3.057 20 0 FGADHM CCc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)OC)c2F)cc1 ZINC000581164262 505923768 /nfs/dbraw/zinc/92/37/68/505923768.db2.gz BPGUALRNQGANNL-UHFFFAOYSA-N -1 3 355.362 3.115 20 0 FGADHM C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000263103608 497706691 /nfs/dbraw/zinc/70/66/91/497706691.db2.gz BDTLPTZGKMAHPT-IJLUTSLNSA-N -1 3 358.360 3.075 20 0 FGADHM C[C@@H](CNC(=O)c1cc(F)c([O-])c(Cl)c1)N(C)Cc1ccccc1 ZINC000194673942 497735560 /nfs/dbraw/zinc/73/55/60/497735560.db2.gz ZWYBAEAJHNGAHY-LBPRGKRZSA-N -1 3 350.821 3.435 20 0 FGADHM COCC[C@H](NC(=O)c1c[n-]c2c(C)cc(F)cc2c1=O)c1ccco1 ZINC000272821777 497738213 /nfs/dbraw/zinc/73/82/13/497738213.db2.gz NAKRWHWHMOADNB-HNNXBMFYSA-N -1 3 358.369 3.489 20 0 FGADHM Cc1nc(C)c(CCC(=O)N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)c(=O)[n-]1 ZINC000280390225 497739087 /nfs/dbraw/zinc/73/90/87/497739087.db2.gz GIPGFWZLTNQUFP-KOMQPUFPSA-N -1 3 359.857 3.447 20 0 FGADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCC(C(=O)Nc3cccc(F)c3)CC2)n1 ZINC000268396299 497739962 /nfs/dbraw/zinc/73/99/62/497739962.db2.gz LVEGGBYTSFDYSH-CYBMUJFWSA-N -1 3 358.417 3.041 20 0 FGADHM CSc1cc2c(cc1CNCc1ccccc1CC(=O)[O-])OCCO2 ZINC000277093715 497740104 /nfs/dbraw/zinc/74/01/04/497740104.db2.gz XZYWZVMWERYTDS-UHFFFAOYSA-N -1 3 359.447 3.097 20 0 FGADHM O=S(=O)([N-]Cc1noc(-c2ccccc2)n1)c1ccc(Cl)cc1F ZINC000194726865 497750407 /nfs/dbraw/zinc/75/04/07/497750407.db2.gz DGPWYGGWEKKABS-UHFFFAOYSA-N -1 3 367.789 3.008 20 0 FGADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N1CC=C(c2ccc(F)cc2)CC1 ZINC000194739252 497755391 /nfs/dbraw/zinc/75/53/91/497755391.db2.gz JAIOFDSFKTXYJI-UHFFFAOYSA-N -1 3 365.364 3.031 20 0 FGADHM CCN(C(=O)CN1C[C@H](C)C[C@@H](C(=O)[O-])C1)c1cccc2ccccc21 ZINC000263367808 497769661 /nfs/dbraw/zinc/76/96/61/497769661.db2.gz UKHFREUWHSPWIA-NVXWUHKLSA-N -1 3 354.450 3.235 20 0 FGADHM CC(C)C[C@@H](NCc1nc(-c2cccc(Br)c2)c[nH]1)C(=O)[O-] ZINC000263387711 497774090 /nfs/dbraw/zinc/77/40/90/497774090.db2.gz DLNOLGVOWFDJSG-CYBMUJFWSA-N -1 3 366.259 3.428 20 0 FGADHM Cc1nn(-c2ccc(F)cc2)c(Cl)c1CNC[C@H](C(=O)[O-])C(C)C ZINC000277224379 497781285 /nfs/dbraw/zinc/78/12/85/497781285.db2.gz IAVWCIQVMNOSNZ-AWEZNQCLSA-N -1 3 353.825 3.420 20 0 FGADHM O=C([O-])[C@H](CN1CCCCC1)NCc1ccc(-c2c(F)cccc2F)o1 ZINC000277269613 497791977 /nfs/dbraw/zinc/79/19/77/497791977.db2.gz LGLFWHSTLABIRA-INIZCTEOSA-N -1 3 364.392 3.254 20 0 FGADHM COC(=O)c1ccc(COc2ccccc2CN(C)C[C@H](C)C(=O)[O-])cc1 ZINC000263529909 497795962 /nfs/dbraw/zinc/79/59/62/497795962.db2.gz VXNZIFSETCZTAM-HNNXBMFYSA-N -1 3 371.433 3.205 20 0 FGADHM C[C@H](CC(=O)N1CCc2c(=O)[n-]cnc2C1)c1cccc(C(F)(F)F)c1 ZINC000273081879 497796481 /nfs/dbraw/zinc/79/64/81/497796481.db2.gz AMGMRWGGBNHKMA-LLVKDONJSA-N -1 3 365.355 3.280 20 0 FGADHM CC(C)[C@H](CNCc1cc(Br)ccc1OC(F)F)C(=O)[O-] ZINC000277294851 497797198 /nfs/dbraw/zinc/79/71/98/497797198.db2.gz MOZJPQSXDUDZCK-NSHDSACASA-N -1 3 366.202 3.497 20 0 FGADHM COc1ccc(C[NH2+]C[C@@H](CC(=O)[O-])C(C)(C)C)c(Br)c1[O-] ZINC000277303276 497798289 /nfs/dbraw/zinc/79/82/89/497798289.db2.gz MYIXBZOYJZGQEM-LLVKDONJSA-N -1 3 374.275 3.390 20 0 FGADHM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1ccn(-c2c(F)cccc2F)n1 ZINC000263571202 497801481 /nfs/dbraw/zinc/80/14/81/497801481.db2.gz JCAPTXXZIDJHPN-ZLIFDBKOSA-N -1 3 361.392 3.368 20 0 FGADHM O=C(N1CCc2c(=O)[n-]cnc2C1)C1(c2ccc(F)cc2)CCCCC1 ZINC000572276186 505931692 /nfs/dbraw/zinc/93/16/92/505931692.db2.gz CCELPSFQOOKIJE-UHFFFAOYSA-N -1 3 355.413 3.108 20 0 FGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)NC[C@H]1CCC[C@H](C)C1 ZINC000299547920 497843598 /nfs/dbraw/zinc/84/35/98/497843598.db2.gz VNHWCHQFLONVAO-HOCLYGCPSA-N -1 3 368.481 3.428 20 0 FGADHM Cc1ccc(C(=O)N2CCC(C(=O)Nc3cccc(F)c3)CC2)c([O-])c1 ZINC000299623430 497872871 /nfs/dbraw/zinc/87/28/71/497872871.db2.gz GJTFPGNYPFTKLY-UHFFFAOYSA-N -1 3 356.397 3.331 20 0 FGADHM CCCN(Cc1ccccc1)C(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000299637385 497876511 /nfs/dbraw/zinc/87/65/11/497876511.db2.gz MPNQOEUQALECMW-UHFFFAOYSA-N -1 3 364.442 3.250 20 0 FGADHM COC(=O)CCCON=C([O-])Nc1cnn(-c2ccccc2)c1C(C)C ZINC000288729791 497883005 /nfs/dbraw/zinc/88/30/05/497883005.db2.gz FQCDDFDFBDMFNU-UHFFFAOYSA-N -1 3 360.414 3.002 20 0 FGADHM COC(=O)CCCO[N-]C(=O)Nc1cnn(-c2ccccc2)c1C(C)C ZINC000288729791 497883009 /nfs/dbraw/zinc/88/30/09/497883009.db2.gz FQCDDFDFBDMFNU-UHFFFAOYSA-N -1 3 360.414 3.002 20 0 FGADHM C[C@H]1CCN(C(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)c2ccccc21 ZINC000299662733 497884973 /nfs/dbraw/zinc/88/49/73/497884973.db2.gz NKUJDCRWWLFQLB-LBPRGKRZSA-N -1 3 362.426 3.351 20 0 FGADHM COc1cc2c(cc1F)CC[C@H]2NC(=O)c1c[n-]nc1-c1ccccn1 ZINC000572330200 505943056 /nfs/dbraw/zinc/94/30/56/505943056.db2.gz DPRIRUGTXSEUDI-OAHLLOKOSA-N -1 3 352.369 3.037 20 0 FGADHM CCCc1c(NC([O-])=NO[C@@H]2CCCCO2)cnn1-c1cc(C)ccn1 ZINC000364330381 497903834 /nfs/dbraw/zinc/90/38/34/497903834.db2.gz VENHHOQHKMTDID-QGZVFWFLSA-N -1 3 359.430 3.108 20 0 FGADHM CCCc1c(NC(=O)[N-]O[C@@H]2CCCCO2)cnn1-c1cc(C)ccn1 ZINC000364330381 497903842 /nfs/dbraw/zinc/90/38/42/497903842.db2.gz VENHHOQHKMTDID-QGZVFWFLSA-N -1 3 359.430 3.108 20 0 FGADHM CC(C)(C)OC(=O)NCCCCCCCn1cc(Cl)c(=O)[n-]c1=O ZINC000296059554 497907376 /nfs/dbraw/zinc/90/73/76/497907376.db2.gz QZWDSQGVDQMGMS-UHFFFAOYSA-N -1 3 359.854 3.078 20 0 FGADHM COC(=O)c1nc([N-]C(=O)c2snnc2C2CC2)sc1C(C)C ZINC000292221845 497927619 /nfs/dbraw/zinc/92/76/19/497927619.db2.gz IJVXOSYSLFPOTB-UHFFFAOYSA-N -1 3 352.441 3.034 20 0 FGADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCC2(CCOC2=O)CC1 ZINC000364377700 497927741 /nfs/dbraw/zinc/92/77/41/497927741.db2.gz 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3.206 20 0 FGADHM C[C@H]1[C@H](N=c2[n-]nc(-c3ccccn3)s2)CCN1Cc1ccccc1 ZINC000576257950 506115235 /nfs/dbraw/zinc/11/52/35/506115235.db2.gz KRODOKHNFRSFPS-GOEBONIOSA-N -1 3 351.479 3.097 20 0 FGADHM Cc1ncc(CNC(=O)N[C@@H]2CC[C@H](c3cccc(Cl)c3)C2)c(=O)[n-]1 ZINC000579203213 506117389 /nfs/dbraw/zinc/11/73/89/506117389.db2.gz ICQMACVZZWZQLO-XJKSGUPXSA-N -1 3 360.845 3.280 20 0 FGADHM Cc1ccc(-c2cccnc2)cc1NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000366553161 498975202 /nfs/dbraw/zinc/97/52/02/498975202.db2.gz SCKSIRINFLGBJS-UHFFFAOYSA-N -1 3 357.369 3.193 20 0 FGADHM CC(C)n1cnnc1CN(C)C(=O)CCc1ccc2ccccc2c1[O-] ZINC000295312172 498975977 /nfs/dbraw/zinc/97/59/77/498975977.db2.gz LDBFICCGMMPQCN-UHFFFAOYSA-N -1 3 352.438 3.309 20 0 FGADHM CCCCn1c(=O)[n-]nc1S[C@@H](C(=O)OC)c1ccc(Cl)cc1 ZINC000582073998 506127525 /nfs/dbraw/zinc/12/75/25/506127525.db2.gz XMIWVWFVMSZKMC-GFCCVEGCSA-N -1 3 355.847 3.444 20 0 FGADHM COc1cccc(CO[C@@H](C)c2nc(-c3ccc4n[n-]nc4c3)no2)c1 ZINC000576287099 506121936 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Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCC(=O)N[C@H]2C(C)(C)C)cc1F ZINC000329084822 499037415 /nfs/dbraw/zinc/03/74/15/499037415.db2.gz UAYDMTAKMLWFLY-IUODEOHRSA-N -1 3 360.426 3.085 20 0 FGADHM COc1ccc([C@H]2C[C@@H](C)N(C(=O)c3cc(OC)c([O-])c(OC)c3)C2)cc1 ZINC000363910053 499050024 /nfs/dbraw/zinc/05/00/24/499050024.db2.gz NHMXRDFZNNQTON-CJNGLKHVSA-N -1 3 371.433 3.436 20 0 FGADHM Cc1c([O-])ccc2c(CSc3nncn3CC(F)(F)F)cc(=O)oc12 ZINC000299489030 499074171 /nfs/dbraw/zinc/07/41/71/499074171.db2.gz LDWKFDAATDTZSG-UHFFFAOYSA-N -1 3 371.340 3.253 20 0 FGADHM Cc1nc([C@H](C)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)oc1-c1ccc(Cl)cc1 ZINC000329227845 499077760 /nfs/dbraw/zinc/07/77/60/499077760.db2.gz BISCLOHVZRZJSL-SMDDNHRTSA-N -1 3 374.828 3.441 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N3CC(C)(C)[C@@H]3c3nccn3C)c[n-]c12 ZINC000295793083 499102330 /nfs/dbraw/zinc/10/23/30/499102330.db2.gz FJUNORFYYPINTI-KRWDZBQOSA-N -1 3 368.412 3.345 20 0 FGADHM O=c1[n-]c(CN2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)nc2c3ccccc3oc21 ZINC000582103668 506134446 /nfs/dbraw/zinc/13/44/46/506134446.db2.gz VOBASZXRKZTNLH-CFVMTHIKSA-N -1 3 353.422 3.207 20 0 FGADHM O=C(c1cc(C2CCCCC2)[nH]n1)N1CCC(c2n[n-]c(=S)o2)CC1 ZINC000366952801 499121256 /nfs/dbraw/zinc/12/12/56/499121256.db2.gz BREXMPBEEYBBIL-UHFFFAOYSA-N -1 3 361.471 3.149 20 0 FGADHM O=C1C[C@H](c2nc(-c3ccc([O-])cc3)no2)CN1c1cc(F)cc(F)c1 ZINC000364142544 499122802 /nfs/dbraw/zinc/12/28/02/499122802.db2.gz FHNVROKJKCDZBC-NSHDSACASA-N -1 3 357.316 3.241 20 0 FGADHM C[C@@H](NC1(CN=c2[n-]nc(C(F)F)s2)CCOCC1)c1ccccc1 ZINC000573159859 506132104 /nfs/dbraw/zinc/13/21/04/506132104.db2.gz MWFZPLNODSZWFV-GFCCVEGCSA-N -1 3 368.453 3.210 20 0 FGADHM CC(C)C[C@@H]1CCN(C(=O)NC2CCN(C(=O)c3cccc([O-])c3)CC2)C1 ZINC000369869980 499141935 /nfs/dbraw/zinc/14/19/35/499141935.db2.gz DAIYIMBNWRJUBI-INIZCTEOSA-N -1 3 373.497 3.074 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ncc(C)cc3OC)c2)n1 ZINC000372813361 499178596 /nfs/dbraw/zinc/17/85/96/499178596.db2.gz GQJLLCRLBMYYED-UHFFFAOYSA-N -1 3 364.405 3.376 20 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/nfs/dbraw/zinc/20/84/55/499208455.db2.gz ZRCOFQMYCBMZHR-ZDUSSCGKSA-N -1 3 366.442 3.467 20 0 FGADHM Cc1oc2nc[nH]c(=O)c2c1C(=O)[N-]c1nc(-c2c(F)cccc2F)co1 ZINC000370479120 499224490 /nfs/dbraw/zinc/22/44/90/499224490.db2.gz CMMPWUFIQRWFCE-UHFFFAOYSA-N -1 3 372.287 3.422 20 0 FGADHM Cc1ccc(-c2nnc(NC(=O)c3ccc4c(c3)NC(=O)CCS4)[n-]2)o1 ZINC000370604876 499234931 /nfs/dbraw/zinc/23/49/31/499234931.db2.gz UDKOTHFLRVRFOY-UHFFFAOYSA-N -1 3 369.406 3.060 20 0 FGADHM Cc1ccc(-c2n[n-]c(NC(=O)c3ccc4c(c3)NC(=O)CCS4)n2)o1 ZINC000370604876 499234933 /nfs/dbraw/zinc/23/49/33/499234933.db2.gz UDKOTHFLRVRFOY-UHFFFAOYSA-N -1 3 369.406 3.060 20 0 FGADHM Cc1ccc(-c2nc(NC(=O)c3ccc4c(c3)NC(=O)CCS4)n[n-]2)o1 ZINC000370604876 499234934 /nfs/dbraw/zinc/23/49/34/499234934.db2.gz UDKOTHFLRVRFOY-UHFFFAOYSA-N -1 3 369.406 3.060 20 0 FGADHM COc1ccc(C(=O)N2CCC([C@H]3CCCCCN3C(C)=O)CC2)c([O-])c1 ZINC000370802844 499255793 /nfs/dbraw/zinc/25/57/93/499255793.db2.gz OXFREQGEWAEAGT-LJQANCHMSA-N -1 3 374.481 3.044 20 0 FGADHM Cc1cc2cc([N-]S(=O)(=O)c3ccc4c(c3)CCC4)ccc2n(C)c1=O ZINC000579306612 506141617 /nfs/dbraw/zinc/14/16/17/506141617.db2.gz SRPSTBOMTLQOQE-UHFFFAOYSA-N -1 3 368.458 3.136 20 0 FGADHM Cc1c(-c2ccncc2)[n-][nH]c1=NC(=O)[C@H]1CCCO[C@H]1c1ccccc1 ZINC000368225520 499275754 /nfs/dbraw/zinc/27/57/54/499275754.db2.gz XIBLVYLZDGWSIQ-HKUYNNGSSA-N -1 3 362.433 3.308 20 0 FGADHM C[C@@H](O[N-]C(=O)[C@@H]1CCCN(C(=O)c2cccs2)C1)c1ccccc1 ZINC000368236886 499276855 /nfs/dbraw/zinc/27/68/55/499276855.db2.gz RIWKNKQSTLVGGV-GDBMZVCRSA-N -1 3 358.463 3.409 20 0 FGADHM Cc1ccc(C(=O)N(C)[C@@H](c2ccc(F)cc2)c2cnccn2)c([O-])c1 ZINC000370993380 499278482 /nfs/dbraw/zinc/27/84/82/499278482.db2.gz PXTXDTBQCAWLGM-IBGZPJMESA-N -1 3 351.381 3.491 20 0 FGADHM Cc1c(-c2ccncc2)[n-][nH]c1=NC(=O)c1cccnc1SC(F)F ZINC000368316809 499284740 /nfs/dbraw/zinc/28/47/40/499284740.db2.gz SKXHPVWBHDNHKV-UHFFFAOYSA-N -1 3 361.377 3.164 20 0 FGADHM Cc1c(-c2ccncc2)[n-][nH]c1=NC(=O)c1ccccc1N1CCCCC1 ZINC000368320117 499285266 /nfs/dbraw/zinc/28/52/66/499285266.db2.gz XSKLONAZXLAQBJ-UHFFFAOYSA-N -1 3 361.449 3.445 20 0 FGADHM CC1CCC(C)(NC(=O)NC2CCN(C(=O)c3cccc([O-])c3)CC2)CC1 ZINC000369050511 499360494 /nfs/dbraw/zinc/36/04/94/499360494.db2.gz HYYITXNIGYYLEN-UHFFFAOYSA-N -1 3 373.497 3.265 20 0 FGADHM O=C1[N-]C(=O)C(=CN[C@@H](c2ccc(F)cc2)c2cccnc2)c2ccccc21 ZINC000369071758 499362540 /nfs/dbraw/zinc/36/25/40/499362540.db2.gz ILTRLUYXDQABLY-ACSPXDACSA-N -1 3 373.387 3.211 20 0 FGADHM Cc1ccc(-c2cnc(CNC(=O)CCc3c(C)nc(C)[n-]c3=O)o2)cc1 ZINC000371799389 499366667 /nfs/dbraw/zinc/36/66/67/499366667.db2.gz NXBSJDIFCVQMGH-UHFFFAOYSA-N -1 3 366.421 3.011 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(N3CC[C@@H](C(C)(C)C)[C@H](O)C3)nc2)n1 ZINC000371803859 499367012 /nfs/dbraw/zinc/36/70/12/499367012.db2.gz RYUQTGVPOANHCD-HZPDHXFCSA-N -1 3 356.470 3.040 20 0 FGADHM COCc1ccc(C(=O)[N-]c2n[nH]c(-c3cccc(OC(F)F)c3)n2)o1 ZINC000369136399 499369502 /nfs/dbraw/zinc/36/95/02/499369502.db2.gz CHDFZQHRAWAIPX-UHFFFAOYSA-N -1 3 364.308 3.065 20 0 FGADHM Cc1cccc(-c2nc([C@H]3COCCN3C(=O)OC(C)(C)C)no2)c1[O-] ZINC000371893027 499376130 /nfs/dbraw/zinc/37/61/30/499376130.db2.gz CRDSRTTUTLICGL-CYBMUJFWSA-N -1 3 361.398 3.059 20 0 FGADHM Cc1nn(C)cc1[C@H]1CCCN1Cc1cc(=O)oc2c(C)c([O-])ccc12 ZINC000371943209 499382593 /nfs/dbraw/zinc/38/25/93/499382593.db2.gz KXYWLJJIBLYQLC-QGZVFWFLSA-N -1 3 353.422 3.186 20 0 FGADHM CCC(CC)CS(=O)(=O)[N-][C@H](c1noc(C2CC2)n1)c1ccccc1 ZINC000369289044 499387863 /nfs/dbraw/zinc/38/78/63/499387863.db2.gz WPIGPHKVDUZSNN-INIZCTEOSA-N -1 3 363.483 3.392 20 0 FGADHM Cc1nn(C)c(C)c1[C@H]1COCCN1C(=O)c1cc([O-])c2ccccc2c1 ZINC000369292856 499388567 /nfs/dbraw/zinc/38/85/67/499388567.db2.gz IBUDJMHEPPZYHJ-GOSISDBHSA-N -1 3 365.433 3.109 20 0 FGADHM Cc1c([N-]S(=O)(=O)Cc2ccc(C)c(F)c2)n[nH]c1-c1ccncc1 ZINC000372190179 499407012 /nfs/dbraw/zinc/40/70/12/499407012.db2.gz DYOIELAKLJSLQP-UHFFFAOYSA-N -1 3 360.414 3.170 20 0 FGADHM Cc1onc(-c2ccccc2C)c1C(=O)[N-]c1ncn(-c2ccccn2)n1 ZINC000372996247 499446731 /nfs/dbraw/zinc/44/67/31/499446731.db2.gz HOWNAMGUOYCYOR-UHFFFAOYSA-N -1 3 360.377 3.186 20 0 FGADHM COc1cccc([C@@H]2CN(C(=O)c3ccc(SC)cc3[O-])CCO2)c1 ZINC000373070604 499449904 /nfs/dbraw/zinc/44/99/04/499449904.db2.gz OXILZMCYFPJPSQ-SFHVURJKSA-N -1 3 359.447 3.336 20 0 FGADHM O=C([O-])C1(CNCc2cn(-c3ccc(Cl)cc3Cl)nn2)CCCC1 ZINC000582158015 506146792 /nfs/dbraw/zinc/14/67/92/506146792.db2.gz TVJDDTFJKUOUGX-UHFFFAOYSA-N -1 3 369.252 3.309 20 0 FGADHM CCOC(=O)C1(C)CCN(C(=O)c2cc([O-])ccc2C(F)(F)F)CC1 ZINC000373574513 499477635 /nfs/dbraw/zinc/47/76/35/499477635.db2.gz IAYCBOBSEANBRD-UHFFFAOYSA-N -1 3 359.344 3.216 20 0 FGADHM COc1cc(-c2noc([C@@H]3Cc4ccccc4CN3C(C)=O)n2)ccc1[O-] ZINC000373614182 499480046 /nfs/dbraw/zinc/48/00/46/499480046.db2.gz WNPRROVMOYSRFG-INIZCTEOSA-N -1 3 365.389 3.097 20 0 FGADHM Cc1cc(S(=O)(=O)[N-][C@H](C)c2nnc3n2CCCCC3)sc1Cl ZINC000373711616 499484462 /nfs/dbraw/zinc/48/44/62/499484462.db2.gz MEQIQXAEGUGTOQ-SNVBAGLBSA-N -1 3 374.919 3.067 20 0 FGADHM CCc1ccc(C(=O)N2CCC(C(=O)Nc3cc(C)ccn3)CC2)c([O-])c1 ZINC000375500765 499525909 /nfs/dbraw/zinc/52/59/09/499525909.db2.gz ZYPZLTLIQDQRQO-UHFFFAOYSA-N -1 3 367.449 3.149 20 0 FGADHM CCSCCC[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000385325566 499547846 /nfs/dbraw/zinc/54/78/46/499547846.db2.gz MUIGIVRZVQFOKD-UHFFFAOYSA-N -1 3 356.282 3.010 20 0 FGADHM Cc1ccccc1C1=CCN(C(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)C1 ZINC000378607147 499536997 /nfs/dbraw/zinc/53/69/97/499536997.db2.gz NIGLMSRQOROYPZ-UHFFFAOYSA-N -1 3 374.437 3.045 20 0 FGADHM C[C@@H]1C[C@H](N=c2[n-]c(C(F)(F)F)ns2)CCN1Cc1ccccc1 ZINC000379661538 499542807 /nfs/dbraw/zinc/54/28/07/499542807.db2.gz FXBDMZZVVUFXIS-DGCLKSJQSA-N -1 3 356.417 3.444 20 0 FGADHM CO[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Br)C(C)C ZINC000381260526 499544551 /nfs/dbraw/zinc/54/45/51/499544551.db2.gz DTHQUQYRJHPIGS-LLVKDONJSA-N -1 3 370.696 3.052 20 0 FGADHM O=C([O-])C1(CC(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)CCCC1 ZINC000382421368 499545752 /nfs/dbraw/zinc/54/57/52/499545752.db2.gz 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499896198 /nfs/dbraw/zinc/89/61/98/499896198.db2.gz PVXYNIIKDRQGKG-IAGOWNOFSA-N -1 3 355.434 3.252 20 0 FGADHM CCCCn1c(=O)[nH]nc1SCc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000412984740 499902271 /nfs/dbraw/zinc/90/22/71/499902271.db2.gz QOZWTXIWOVQJBE-UHFFFAOYSA-N -1 3 357.439 3.239 20 0 FGADHM C[C@H](c1cccc(NCc2cc(=O)[n-]c(C3CC3)n2)c1)N1CCOCC1 ZINC000417040950 499955621 /nfs/dbraw/zinc/95/56/21/499955621.db2.gz VTIUYEPTDWUQHN-CQSZACIVSA-N -1 3 354.454 3.065 20 0 FGADHM COc1c(=O)[n-]c(=O)[nH]c1C(=O)Nc1ccc2nc(C(C)(C)C)sc2c1 ZINC000416153193 499961307 /nfs/dbraw/zinc/96/13/07/499961307.db2.gz BECPLWJGKHCNPK-UHFFFAOYSA-N -1 3 374.422 3.056 20 0 FGADHM CCN(C(=O)c1cc2c(cc1[O-])CCCC2)c1ncc(C(=O)OC)s1 ZINC000416160451 499964076 /nfs/dbraw/zinc/96/40/76/499964076.db2.gz KMCVPHPMORBWDP-UHFFFAOYSA-N -1 3 360.435 3.181 20 0 FGADHM CC[C@@H](CS(=O)(=O)[N-]c1cc(NC(=O)C(C)(C)C)ccc1C)OC ZINC000421146531 499971400 /nfs/dbraw/zinc/97/14/00/499971400.db2.gz DTMDBGZBCRHUJP-AWEZNQCLSA-N -1 3 356.488 3.146 20 0 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CC(C)(C[N-]S(=O)(=O)c1ccccc1C(F)(F)F)OCC1CC1 ZINC000416586773 500067157 /nfs/dbraw/zinc/06/71/57/500067157.db2.gz CWOYAJKERDLBKB-UHFFFAOYSA-N -1 3 351.390 3.189 20 0 FGADHM COC1([C@@H](C)[N-]S(=O)(=O)c2sc(C)cc2Br)CCC1 ZINC000416611736 500072652 /nfs/dbraw/zinc/07/26/52/500072652.db2.gz CHURJJPUHYGPMI-SECBINFHSA-N -1 3 368.318 3.055 20 0 FGADHM O=S(=O)([N-]C[C@H]1CC12CC2)c1cc(Br)ccc1Cl ZINC000416648398 500078497 /nfs/dbraw/zinc/07/84/97/500078497.db2.gz OIBYVOJSJSBJAW-MRVPVSSYSA-N -1 3 350.665 3.181 20 0 FGADHM CCCC[C@H](NCc1ccc(F)cc1I)C(=O)[O-] ZINC000417556048 500107343 /nfs/dbraw/zinc/10/73/43/500107343.db2.gz NCKRUDLVITUWMU-LBPRGKRZSA-N -1 3 365.186 3.163 20 0 FGADHM O=C([O-])C[C@@H](NCc1ccn(C(F)F)n1)C12CC3CC(CC(C3)C1)C2 ZINC000417573897 500113501 /nfs/dbraw/zinc/11/35/01/500113501.db2.gz ICBZYKQSSZKBGA-CHGJFTSJSA-N -1 3 353.413 3.428 20 0 FGADHM CC(C)C[C@@H]1C[C@H]1C(=O)N=c1[n-]n(CC(F)(F)F)cc1Br ZINC000421679012 500114057 /nfs/dbraw/zinc/11/40/57/500114057.db2.gz GQGJCFFAKAJCFB-RKDXNWHRSA-N -1 3 368.197 3.251 20 0 FGADHM COc1ccccc1C[C@H](CNCc1c(Cl)cccc1OC)C(=O)[O-] ZINC000417576477 500114345 /nfs/dbraw/zinc/11/43/45/500114345.db2.gz ZKLHWSUBTPWBNV-CQSZACIVSA-N -1 3 363.841 3.390 20 0 FGADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Br)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000421680206 500114397 /nfs/dbraw/zinc/11/43/97/500114397.db2.gz QUHAPMONQYROIF-YIZRAAEISA-N -1 3 366.181 3.005 20 0 FGADHM CC1(C)C(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Br)C1(C)C ZINC000421684922 500115788 /nfs/dbraw/zinc/11/57/88/500115788.db2.gz ZWGGTSQMRKRSOI-UHFFFAOYSA-N -1 3 368.197 3.251 20 0 FGADHM C[C@@H]1CC[C@H](NC(=O)N=c2cc(OC(F)F)n(C)[n-]2)c2ccccc21 ZINC000429644450 500117613 /nfs/dbraw/zinc/11/76/13/500117613.db2.gz AGRQJDLHJMEEQP-MFKMUULPSA-N -1 3 350.369 3.204 20 0 FGADHM C[C@@H](OC(C)(C)C)[C@H](NCc1ccc(OCc2ccncc2)cc1)C(=O)[O-] ZINC000417587008 500117856 /nfs/dbraw/zinc/11/78/56/500117856.db2.gz RNZCCAVGHWZKQG-BEFAXECRSA-N -1 3 372.465 3.407 20 0 FGADHM CCC(CC)(CNC(=O)N=c1cc(OC(F)F)n(C)[n-]1)c1ccccc1 ZINC000429648260 500118240 /nfs/dbraw/zinc/11/82/40/500118240.db2.gz VSXRADRMAKSRFQ-UHFFFAOYSA-N -1 3 366.412 3.323 20 0 FGADHM Cn1[n-]c(=NC(=O)N2CC[C@@H](c3ccc(Cl)cc3)C2)cc1OC(F)F ZINC000429650062 500118578 /nfs/dbraw/zinc/11/85/78/500118578.db2.gz BWGARXKXCVFWJZ-LLVKDONJSA-N -1 3 370.787 3.118 20 0 FGADHM Cc1nn(-c2ccc(Cl)cc2)cc1CN[C@@H](COC(C)(C)C)C(=O)[O-] ZINC000417588905 500118710 /nfs/dbraw/zinc/11/87/10/500118710.db2.gz DIDJQFAHIIPYNH-INIZCTEOSA-N -1 3 365.861 3.192 20 0 FGADHM CC(C)[C@@H]1C[C@](NCc2cnn(CC(F)F)c2)(C(=O)[O-])c2ccccc21 ZINC000417596541 500121298 /nfs/dbraw/zinc/12/12/98/500121298.db2.gz ZYQJOTKSAYTGDL-HNAYVOBHSA-N -1 3 363.408 3.361 20 0 FGADHM C[C@@H](NCc1cccc(Br)c1OC(F)F)[C@H](C)C(=O)[O-] ZINC000417618659 500126843 /nfs/dbraw/zinc/12/68/43/500126843.db2.gz YDTSYWKLZHWPJV-JGVFFNPUSA-N -1 3 352.175 3.249 20 0 FGADHM CC(C)(C)c1nn(Cc2ccccc2)cc1CN[C@H]1C=C[C@H](C(=O)[O-])C1 ZINC000417625601 500128421 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C[C@@]1(C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)CC1(F)F ZINC000421785843 500150380 /nfs/dbraw/zinc/15/03/80/500150380.db2.gz LSYMYDLBGACFOJ-INIZCTEOSA-N -1 3 372.799 3.268 20 0 FGADHM CC(C)C[C@@H](CCO)C[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000429826453 500151750 /nfs/dbraw/zinc/15/17/50/500151750.db2.gz HYEYYQVCGVPUMW-LLVKDONJSA-N -1 3 354.299 3.316 20 0 FGADHM CCc1ccc([C@H](COC)[N-]S(=O)(=O)c2c(C)cc(F)cc2C)o1 ZINC000429832844 500152528 /nfs/dbraw/zinc/15/25/28/500152528.db2.gz VOOJLNTWVSVNNZ-HNNXBMFYSA-N -1 3 355.431 3.264 20 0 FGADHM CC(C)OC(=O)CC[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000429901326 500163871 /nfs/dbraw/zinc/16/38/71/500163871.db2.gz IGJOJIPYGQNZPW-JTQLQIEISA-N -1 3 368.282 3.392 20 0 FGADHM C[C@@]1(C[N-]S(=O)(=O)c2ccc(Cl)cc2Cl)CCO[C@H]1C1CC1 ZINC000429912313 500165900 /nfs/dbraw/zinc/16/59/00/500165900.db2.gz WKZBDCQQZSANBA-GJZGRUSLSA-N -1 3 364.294 3.477 20 0 FGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)N1CCC[C@H]2CCC[C@H]21 ZINC000429922256 500167114 /nfs/dbraw/zinc/16/71/14/500167114.db2.gz KLDGSQCILFZUJG-BXUZGUMPSA-N -1 3 363.259 3.315 20 0 FGADHM Cc1ccc([C@H](C)NC(=O)N=c2cc3ccc(Br)cn3[n-]2)o1 ZINC000429928739 500167757 /nfs/dbraw/zinc/16/77/57/500167757.db2.gz FNSKRAVCUWWGSA-JTQLQIEISA-N -1 3 363.215 3.303 20 0 FGADHM C[C@@H]1CCCC[C@H]1NC(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000429972448 500175520 /nfs/dbraw/zinc/17/55/20/500175520.db2.gz GVTGFKJOQIGDHV-ZWNOBZJWSA-N -1 3 351.248 3.219 20 0 FGADHM C[C@H](NC(=O)C(=O)[N-]c1cnns1)c1ccc(-c2ccc(F)cc2)cc1 ZINC000429996413 500179182 /nfs/dbraw/zinc/17/91/82/500179182.db2.gz FCMPBBJSUHUAHO-NSHDSACASA-N -1 3 370.409 3.160 20 0 FGADHM Cc1ncc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccccc2Br)s1 ZINC000430010522 500180461 /nfs/dbraw/zinc/18/04/61/500180461.db2.gz VNIQIUYZEHWAQO-CMPLNLGQSA-N -1 3 373.297 3.048 20 0 FGADHM CS(=O)(=O)CC[C@@H]1CCCCN1Cc1cc([O-])cc(C(F)(F)F)c1 ZINC000430109309 500193891 /nfs/dbraw/zinc/19/38/91/500193891.db2.gz XMGFCDMKWPJZDJ-AWEZNQCLSA-N -1 3 365.417 3.200 20 0 FGADHM COC(=O)[C@@H](CNC(=O)C1CC(C(C)(C)C)C1)Cc1ccc([O-])c(F)c1 ZINC000422049275 500205636 /nfs/dbraw/zinc/20/56/36/500205636.db2.gz WMFCFECQWOCEON-SHARSMKWSA-N -1 3 365.445 3.052 20 0 FGADHM CC[C@@H](C(=O)NC[C@@H](Cc1ccc([O-])c(F)c1)C(=O)OC)c1ccccc1 ZINC000422052161 500206149 /nfs/dbraw/zinc/20/61/49/500206149.db2.gz ZTLMLDGZYNVLHV-IAGOWNOFSA-N -1 3 373.424 3.173 20 0 FGADHM COc1ccc2c(c1)[n-]cc(C(=O)N1CCC[C@H](CC(F)(F)F)C1)c2=O ZINC000422115018 500215930 /nfs/dbraw/zinc/21/59/30/500215930.db2.gz MGQXXCBNZGDONY-LLVKDONJSA-N -1 3 368.355 3.341 20 0 FGADHM CCc1[n-][nH]c(=NC(=O)c2nn(-c3cc(C)ccc3F)c3c2CCC3)c1C ZINC000422120453 500216240 /nfs/dbraw/zinc/21/62/40/500216240.db2.gz MRVBHPZYFLMPAS-UHFFFAOYSA-N -1 3 367.428 3.077 20 0 FGADHM COCc1ccc(OC)c(S(=O)(=O)[N-]c2cccc(F)c2Cl)c1 ZINC000576546639 506183265 /nfs/dbraw/zinc/18/32/65/506183265.db2.gz XRNISVOWINIBAT-UHFFFAOYSA-N -1 3 359.806 3.435 20 0 FGADHM C[C@H](CO)[C@H](C)NC(=O)c1c[n-]c2ccc(Oc3ccccc3)cc2c1=O ZINC000430610672 500262206 /nfs/dbraw/zinc/26/22/06/500262206.db2.gz LGHRIYJSYRBYBF-KGLIPLIRSA-N -1 3 366.417 3.067 20 0 FGADHM CN(CCCC(=O)[O-])CC(=O)N(C)C(c1ccccc1)c1ccccc1 ZINC000430662616 500266829 /nfs/dbraw/zinc/26/68/29/500266829.db2.gz KJHMWCPTIHKPPC-UHFFFAOYSA-N -1 3 354.450 3.031 20 0 FGADHM C[C@H](CC(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1c[nH]c2ccccc21 ZINC000426380916 500266904 /nfs/dbraw/zinc/26/69/04/500266904.db2.gz MPWZCYCWVOWSDM-CYBMUJFWSA-N -1 3 360.421 3.158 20 0 FGADHM C[C@H](CC(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1c[nH]c2ccccc21 ZINC000426380916 500266907 /nfs/dbraw/zinc/26/69/07/500266907.db2.gz MPWZCYCWVOWSDM-CYBMUJFWSA-N -1 3 360.421 3.158 20 0 FGADHM CN(CCCC(=O)[O-])CC(=O)N1CCC[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000430672056 500268271 /nfs/dbraw/zinc/26/82/71/500268271.db2.gz SKOBIUZXYPNNPA-SFHVURJKSA-N -1 3 360.498 3.444 20 0 FGADHM COC(=O)c1ccc(-c2nc(-c3ccc(OC(F)(F)F)cc3)no2)[n-]1 ZINC000426439094 500272500 /nfs/dbraw/zinc/27/25/00/500272500.db2.gz GFSBRFIPHCBCHD-UHFFFAOYSA-N -1 3 353.256 3.417 20 0 FGADHM COC(=O)c1ccc(-c2nc(-c3cnn(-c4cccc(Cl)c4)c3)no2)[n-]1 ZINC000426449683 500273561 /nfs/dbraw/zinc/27/35/61/500273561.db2.gz IWWYTVYJHSUQLJ-UHFFFAOYSA-N -1 3 369.768 3.357 20 0 FGADHM Cc1cccc([C@@H]2CCCN2C(=O)CNC(=O)c2ccc([O-])cc2)c1C ZINC000573403761 506187593 /nfs/dbraw/zinc/18/75/93/506187593.db2.gz CKZJBKRYPBJQFG-IBGZPJMESA-N -1 3 352.434 3.103 20 0 FGADHM CCn1nc(CNCC[C@@H](Cc2ccccc2)C(=O)[O-])c2ccccc21 ZINC000426630192 500297639 /nfs/dbraw/zinc/29/76/39/500297639.db2.gz SVOHVDUSSQTGKN-KRWDZBQOSA-N -1 3 351.450 3.479 20 0 FGADHM COc1ccccc1C[C@H](CNCc1nc2c(s1)C[C@H](C)CC2)C(=O)[O-] ZINC000426632344 500297815 /nfs/dbraw/zinc/29/78/15/500297815.db2.gz VEPMFAVKKRITMV-UKRRQHHQSA-N -1 3 374.506 3.310 20 0 FGADHM C[C@@H](CCCCC(=O)[O-])NCc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000426638310 500298548 /nfs/dbraw/zinc/29/85/48/500298548.db2.gz PUFMYOUDMIOSPX-NSHDSACASA-N -1 3 354.813 3.183 20 0 FGADHM COc1ccc2oc(CNC[C@@H](Oc3ccc(F)cc3)C(=O)[O-])cc2c1 ZINC000426658801 500302897 /nfs/dbraw/zinc/30/28/97/500302897.db2.gz YIQQASDROZNDAQ-GOSISDBHSA-N -1 3 359.353 3.202 20 0 FGADHM C[C@@H](CCc1ccco1)NC(=O)Cc1ccc(Br)cc1[O-] ZINC000430895582 500303194 /nfs/dbraw/zinc/30/31/94/500303194.db2.gz VAIPIALDJWWCPA-NSHDSACASA-N -1 3 352.228 3.428 20 0 FGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@@H]2CCCC2(C)C)cc1OC ZINC000426664677 500303921 /nfs/dbraw/zinc/30/39/21/500303921.db2.gz GVCXYQITUKJSBO-OAHLLOKOSA-N -1 3 369.487 3.157 20 0 FGADHM CCOc1c(CNC[C@H]2CC[C@H](C(=O)[O-])CC2)c(C)nn1CC(C)C ZINC000426670790 500304533 /nfs/dbraw/zinc/30/45/33/500304533.db2.gz HTSNFCPUSLIKQH-WKILWMFISA-N -1 3 351.491 3.227 20 0 FGADHM COc1cc(Br)ccc1CN[C@H](Cc1ccccc1)C(=O)[O-] ZINC000426697123 500307704 /nfs/dbraw/zinc/30/77/04/500307704.db2.gz WDKNSXZJKOJHGF-OAHLLOKOSA-N -1 3 364.239 3.243 20 0 FGADHM O=C([O-])[C@H](CN1CCCc2ccccc21)NCc1ccc(Cl)s1 ZINC000426725805 500311719 /nfs/dbraw/zinc/31/17/19/500311719.db2.gz FDOZXDSDLCOTQT-AWEZNQCLSA-N -1 3 350.871 3.397 20 0 FGADHM O=C([O-])[C@H](CC1CCCC1)NCc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000426741734 500314003 /nfs/dbraw/zinc/31/40/03/500314003.db2.gz MSFNVUQYZVYBMN-INIZCTEOSA-N -1 3 366.824 3.183 20 0 FGADHM COCCOc1ccc(CN[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)cc1 ZINC000426753326 500315956 /nfs/dbraw/zinc/31/59/56/500315956.db2.gz HXBAEJCGHYCFKR-KRWDZBQOSA-N -1 3 367.804 3.420 20 0 FGADHM COc1cc(Br)c(CN[C@@H]2CCC[C@]2(C)C(=O)[O-])cc1OC ZINC000426756819 500316373 /nfs/dbraw/zinc/31/63/73/500316373.db2.gz MDMLOPGUOXTCQP-ZBFHGGJFSA-N -1 3 372.259 3.199 20 0 FGADHM CCCSC[C@H](NCc1cc(OC)ccc1Br)C(=O)[O-] ZINC000426783618 500319939 /nfs/dbraw/zinc/31/99/39/500319939.db2.gz JVQLZQGLNRNFDZ-ZDUSSCGKSA-N -1 3 362.289 3.144 20 0 FGADHM COc1cccc([C@@H](CC(=O)[O-])NCc2ccc(-n3cccn3)cc2)c1 ZINC000426800636 500322339 /nfs/dbraw/zinc/32/23/39/500322339.db2.gz OKNDZQZSWQDQAK-LJQANCHMSA-N -1 3 351.406 3.187 20 0 FGADHM COc1ccc(CN[C@H](C(=O)[O-])c2ccc(Br)cc2)cc1 ZINC000426805608 500322505 /nfs/dbraw/zinc/32/25/05/500322505.db2.gz DABDWBZYZKIUDQ-HNNXBMFYSA-N -1 3 350.212 3.373 20 0 FGADHM O=C([O-])[C@@H](Cc1ccco1)NCc1ccc(Cl)cc1Br ZINC000426817109 500325069 /nfs/dbraw/zinc/32/50/69/500325069.db2.gz RXEMKFYGRGVDCB-CYBMUJFWSA-N -1 3 358.619 3.481 20 0 FGADHM CN(C)[C@@H](CN=c1[n-]c(C(F)(F)F)c(Br)s1)C1CC1 ZINC000418853583 500326336 /nfs/dbraw/zinc/32/63/36/500326336.db2.gz JUXROIUSUIQEJV-ZETCQYMHSA-N -1 3 358.227 3.098 20 0 FGADHM CC[C@H](CN(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)OC ZINC000419188197 500342683 /nfs/dbraw/zinc/34/26/83/500342683.db2.gz KBPJUMNXFAUGRM-GOSISDBHSA-N -1 3 362.495 3.344 20 0 FGADHM COc1ccc(OC2CCN(Cc3cc(=O)[n-]c(C4CC4)n3)CC2)cc1 ZINC000570536476 506190431 /nfs/dbraw/zinc/19/04/31/506190431.db2.gz UEXPHPJPLXNJPT-UHFFFAOYSA-N -1 3 355.438 3.112 20 0 FGADHM COC(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(OC)c2)c1Cl ZINC000431183534 500347121 /nfs/dbraw/zinc/34/71/21/500347121.db2.gz PSZKAJOHNDKRGL-UHFFFAOYSA-N -1 3 373.789 3.075 20 0 FGADHM Cc1ccc(-c2ccncc2)cc1NC(=O)CNC(=O)c1cccc([O-])c1 ZINC000427105155 500354283 /nfs/dbraw/zinc/35/42/83/500354283.db2.gz VRXTVQARAUADKC-UHFFFAOYSA-N -1 3 361.401 3.131 20 0 FGADHM COC1CCC(C[N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000427244575 500372744 /nfs/dbraw/zinc/37/27/44/500372744.db2.gz VXNZOYRGFSCEJI-UHFFFAOYSA-N -1 3 352.283 3.477 20 0 FGADHM CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)CNC(=O)c1cccc([O-])c1 ZINC000427236706 500371972 /nfs/dbraw/zinc/37/19/72/500371972.db2.gz KZWBOUIFIRABRG-IBGZPJMESA-N -1 3 368.477 3.300 20 0 FGADHM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(C)c(F)cc2Cl)cnc1C ZINC000427307765 500379988 /nfs/dbraw/zinc/37/99/88/500379988.db2.gz JUGOJLHKJGHLQI-UHFFFAOYSA-N -1 3 372.805 3.078 20 0 FGADHM CCc1ccc(CNC(=O)CSCc2cc(=O)[n-]c(C3CC3)n2)s1 ZINC000419580026 500380914 /nfs/dbraw/zinc/38/09/14/500380914.db2.gz AJXWWOJOHNGGEF-UHFFFAOYSA-N -1 3 363.508 3.233 20 0 FGADHM C[C@@H](NC(=O)CSCc1cc(=O)[n-]c(C2CC2)n1)c1ccc(F)cc1 ZINC000419608627 500384389 /nfs/dbraw/zinc/38/43/89/500384389.db2.gz VUNPUEFNYGLHNC-LLVKDONJSA-N -1 3 361.442 3.309 20 0 FGADHM C[C@H]1CCCc2nc(S(=O)(=O)[N-]Cc3ccc(C(C)(F)F)cc3)cn21 ZINC000570545475 506192634 /nfs/dbraw/zinc/19/26/34/506192634.db2.gz PKRUJRIBUWRAFJ-LBPRGKRZSA-N -1 3 369.437 3.371 20 0 FGADHM Cc1cc(CNc2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)ccc1F ZINC000419757963 500393980 /nfs/dbraw/zinc/39/39/80/500393980.db2.gz VJEJOHRVGLIUSK-UHFFFAOYSA-N -1 3 352.406 3.326 20 0 FGADHM Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)CNC(=O)c2cccc([O-])c2)cc1 ZINC000427467138 500396682 /nfs/dbraw/zinc/39/66/82/500396682.db2.gz OMXFWQUQMVIXEI-KKSFZXQISA-N -1 3 366.461 3.430 20 0 FGADHM C[N-]S(=O)(=O)c1cc(NCc2ccc(OCC(C)C)cc2)ccc1F ZINC000419784771 500397983 /nfs/dbraw/zinc/39/79/83/500397983.db2.gz VGRSWLHXHTWBEI-UHFFFAOYSA-N -1 3 366.458 3.381 20 0 FGADHM COc1ccncc1C[N-]S(=O)(=O)c1oc2ccc(Cl)cc2c1C ZINC000431612589 500398468 /nfs/dbraw/zinc/39/84/68/500398468.db2.gz YIQQBEDQNVBBHY-UHFFFAOYSA-N -1 3 366.826 3.277 20 0 FGADHM CCN=c1[n-]c(C(=O)N2CCC[C@H]2Cc2cc(F)ccc2F)cs1 ZINC000420115681 500421267 /nfs/dbraw/zinc/42/12/67/500421267.db2.gz KNDZZZGGVQFWSE-ZDUSSCGKSA-N -1 3 351.422 3.122 20 0 FGADHM COc1ccc(CNC(=O)c2c[n-]nc2-c2ccc(Cl)s2)cc1O ZINC000427761907 500428722 /nfs/dbraw/zinc/42/87/22/500428722.db2.gz GEYMMXFPWYOOEV-UHFFFAOYSA-N -1 3 363.826 3.436 20 0 FGADHM CCCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)CCOCC2CC2)c1 ZINC000424057928 500445035 /nfs/dbraw/zinc/44/50/35/500445035.db2.gz CFCUYKYDLLOJDU-UHFFFAOYSA-N -1 3 374.890 3.247 20 0 FGADHM Cc1nc(-c2ccccc2)sc1NC(=O)CNC(=O)c1cccc([O-])c1 ZINC000427932135 500446956 /nfs/dbraw/zinc/44/69/56/500446956.db2.gz XODGRHRDRWVJCJ-UHFFFAOYSA-N -1 3 367.430 3.193 20 0 FGADHM O=C(CNC(=O)c1cccc([O-])c1)N[C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000428018061 500458491 /nfs/dbraw/zinc/45/84/91/500458491.db2.gz RHEDXZBEHFIOMY-GOSISDBHSA-N -1 3 368.408 3.013 20 0 FGADHM O=C(CNC(=O)c1cccc([O-])c1)N[C@H](CC1CCC1)c1ccccc1 ZINC000428025507 500459217 /nfs/dbraw/zinc/45/92/17/500459217.db2.gz SJHWRMSGRVSHOB-LJQANCHMSA-N -1 3 352.434 3.170 20 0 FGADHM COc1ccc(Cn2cc(C(=O)Nc3ccc([O-])cc3F)cn2)cc1OC 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ZINC000436528590 501149104 /nfs/dbraw/zinc/14/91/04/501149104.db2.gz OXECPSIKFHQSSP-UHFFFAOYSA-N -1 3 372.852 3.009 20 0 FGADHM CC[C@H](C)NC(=O)[C@@H](C)NC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436537337 501150956 /nfs/dbraw/zinc/15/09/56/501150956.db2.gz DXKQLGIHLZVDES-UONOGXRCSA-N -1 3 356.422 3.218 20 0 FGADHM C[C@H](NC(=O)c1cc(OCc2ccccc2)ccc1[O-])C(=O)NC(C)(C)C ZINC000436538197 501151155 /nfs/dbraw/zinc/15/11/55/501151155.db2.gz HEXHQZXPQJMMLW-AWEZNQCLSA-N -1 3 370.449 3.004 20 0 FGADHM CC[C@H](C[N-]S(=O)(=O)c1cncc(F)c1)Oc1cccc(Cl)c1 ZINC000441544566 501153446 /nfs/dbraw/zinc/15/34/46/501153446.db2.gz PUTHSIZHEVVQBM-CYBMUJFWSA-N -1 3 358.822 3.010 20 0 FGADHM COc1cc(C)cc(C(=O)Nc2ccc(N3CCCC3=O)c(F)c2)c1[O-] ZINC000436547189 501153937 /nfs/dbraw/zinc/15/39/37/501153937.db2.gz NPYQVYIGOPQVBR-UHFFFAOYSA-N -1 3 358.369 3.227 20 0 FGADHM COc1cc(C)cc(C(=O)Nc2ccc(OCc3noc(C)n3)cc2)c1[O-] ZINC000436558762 501156612 /nfs/dbraw/zinc/15/66/12/501156612.db2.gz XEEVJPZGNKFQEZ-UHFFFAOYSA-N -1 3 369.377 3.232 20 0 FGADHM Cc1cccc(C(=O)N2CSC[C@@H]2C(=O)N[C@H](C)CCC(C)C)c1[O-] ZINC000436560511 501156736 /nfs/dbraw/zinc/15/67/36/501156736.db2.gz DIEXBGGEJDEBOC-GDBMZVCRSA-N -1 3 364.511 3.157 20 0 FGADHM O=C(c1cc2c(cc1[O-])CCCC2)N(C[C@H]1CCCO1)[C@H]1CCSC1 ZINC000436563859 501157576 /nfs/dbraw/zinc/15/75/76/501157576.db2.gz FMHKLTPULBSBQG-DLBZAZTESA-N -1 3 361.507 3.398 20 0 FGADHM Cc1ccc(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C)c(C)c2)c([O-])c1 ZINC000436568120 501158538 /nfs/dbraw/zinc/15/85/38/501158538.db2.gz QSKZPDCSYIFYNF-KRWDZBQOSA-N -1 3 370.474 3.471 20 0 FGADHM COc1cc(CC2CN(C(=O)c3ccc(C)c(C)c3[O-])C2)cc(OC)c1 ZINC000436578782 501161100 /nfs/dbraw/zinc/16/11/00/501161100.db2.gz XNPHBCJHNVNPHA-UHFFFAOYSA-N -1 3 355.434 3.341 20 0 FGADHM Cc1nn(C)c(C)c1CNC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436579388 501161148 /nfs/dbraw/zinc/16/11/48/501161148.db2.gz ZHCWXWHSLMKRCW-UHFFFAOYSA-N -1 3 351.406 3.465 20 0 FGADHM O=C(NCCCNC(=O)C1CCC1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436576116 501161556 /nfs/dbraw/zinc/16/15/56/501161556.db2.gz KNPKFHASCVRCRX-UHFFFAOYSA-N -1 3 366.461 3.019 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)NCc3cccnc3OC(C)C)c[n-]c12 ZINC000607719499 506237720 /nfs/dbraw/zinc/23/77/20/506237720.db2.gz KAIIQZIPZPKISN-UHFFFAOYSA-N -1 3 369.396 3.088 20 0 FGADHM O=C(NCc1ccc(F)cn1)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436593821 501166100 /nfs/dbraw/zinc/16/61/00/501166100.db2.gz CLXWSMUECSOKRX-UHFFFAOYSA-N -1 3 352.365 3.435 20 0 FGADHM CCOC(=O)[C@H]1CN(C(=O)c2ccc(C)c(C)c2[O-])Cc2ccccc21 ZINC000436598521 501166860 /nfs/dbraw/zinc/16/68/60/501166860.db2.gz ZUDGHUVTSFCRBN-SFHVURJKSA-N -1 3 353.418 3.312 20 0 FGADHM Cc1ccc(OCCCN2CCN(C(=O)c3ccccc3[O-])CC2)cc1C ZINC000436606505 501168219 /nfs/dbraw/zinc/16/82/19/501168219.db2.gz MWDVJUODABAFAQ-UHFFFAOYSA-N -1 3 368.477 3.236 20 0 FGADHM CC(C)OCc1nc([C@H](C)NC(=O)c2ccc3c(c2[O-])CCCC3)no1 ZINC000436607150 501168593 /nfs/dbraw/zinc/16/85/93/501168593.db2.gz HYQQEZABYCQWGR-LBPRGKRZSA-N -1 3 359.426 3.070 20 0 FGADHM COc1ccccc1C[C@@H]1CCCN1C(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000436620659 501170883 /nfs/dbraw/zinc/17/08/83/501170883.db2.gz BKSOEEIKHIDKJI-KRWDZBQOSA-N -1 3 353.418 3.451 20 0 FGADHM C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)c1ccc(O)cc1[O-] ZINC000436629724 501173815 /nfs/dbraw/zinc/17/38/15/501173815.db2.gz KIXIWMXOTHCANO-SECBINFHSA-N -1 3 368.202 3.360 20 0 FGADHM CCS[C@H]1CCC[C@@H](NC(=O)CCNC(=O)c2ccc(C)cc2[O-])C1 ZINC000436641359 501176397 /nfs/dbraw/zinc/17/63/97/501176397.db2.gz VBKQNEFWDGIVCP-CABCVRRESA-N -1 3 364.511 3.001 20 0 FGADHM COc1cccc(C(C)(C)C[N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)c1 ZINC000441870811 501179080 /nfs/dbraw/zinc/17/90/80/501179080.db2.gz ZGVLXBHDHHWSMV-UHFFFAOYSA-N -1 3 373.396 3.369 20 0 FGADHM CC[C@@H](NC(=O)c1cccc(C)c1[O-])[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000436649306 501179054 /nfs/dbraw/zinc/17/90/54/501179054.db2.gz OQJIURYPBXHERW-RTBURBONSA-N -1 3 364.449 3.399 20 0 FGADHM CC(=O)c1ccc(C(=O)NCc2ccccc2-n2nc(C)cc2C)cc1[O-] ZINC000436660350 501181553 /nfs/dbraw/zinc/18/15/53/501181553.db2.gz SLEYFYRBURAUAR-UHFFFAOYSA-N -1 3 363.417 3.327 20 0 FGADHM CCC[C@@H](C(=O)NCCCNC(=O)c1cccc([O-])c1)c1ccccc1 ZINC000588218776 506239137 /nfs/dbraw/zinc/23/91/37/506239137.db2.gz DJIQLZYWHQALQA-LJQANCHMSA-N -1 3 354.450 3.212 20 0 FGADHM C[C@@H]1CN(C(C)(C)CNC(=O)c2ccc3ccccc3c2[O-])C[C@@H](C)O1 ZINC000436672845 501184997 /nfs/dbraw/zinc/18/49/97/501184997.db2.gz CTMNZSYCLOPUDZ-HUUCEWRRSA-N -1 3 356.466 3.163 20 0 FGADHM CC(=O)c1ccc(C(=O)N2CCN([C@@H](C)c3ccsc3)CC2)cc1[O-] ZINC000436675430 501185755 /nfs/dbraw/zinc/18/57/55/501185755.db2.gz YMUCNAJCDAVKAS-ZDUSSCGKSA-N -1 3 358.463 3.175 20 0 FGADHM Cc1nn(C)c2ncc(S(=O)(=O)[N-]c3c(Cl)ccc(C)c3C)cc12 ZINC000446958133 501186426 /nfs/dbraw/zinc/18/64/26/501186426.db2.gz PFXUNUQEKSIULR-UHFFFAOYSA-N -1 3 364.858 3.348 20 0 FGADHM CC1(C)Cc2ccc(C(=O)NCc3nc(-c4ccccc4)c[nH]3)c([O-])c2O1 ZINC000436684175 501187616 /nfs/dbraw/zinc/18/76/16/501187616.db2.gz YFLZEPDAQKGPJN-UHFFFAOYSA-N -1 3 363.417 3.426 20 0 FGADHM Cc1ccc(C(=O)NCCc2nc(-c3ccc4ncccc4c3)no2)c([O-])c1 ZINC000436692550 501189799 /nfs/dbraw/zinc/18/97/99/501189799.db2.gz YTLVAIIBSIYMFJ-UHFFFAOYSA-N -1 3 374.400 3.271 20 0 FGADHM Cc1ccc(C(=O)N[C@H]2CCCN([C@H](C)c3ccc(F)cc3)C2=O)c([O-])c1 ZINC000436697473 501190488 /nfs/dbraw/zinc/19/04/88/501190488.db2.gz TUEUZYVZGBBWET-KDOFPFPSSA-N -1 3 370.424 3.322 20 0 FGADHM CC(C)[C@H]1CCC[C@@H](NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)C1 ZINC000436708922 501192946 /nfs/dbraw/zinc/19/29/46/501192946.db2.gz ZFMUYELMFPHWTL-ZWKOTPCHSA-N -1 3 373.497 3.074 20 0 FGADHM Cc1nc([N-]C(=O)c2csnn2)sc1Cc1c(F)cccc1F ZINC000447000923 501193129 /nfs/dbraw/zinc/19/31/29/501193129.db2.gz NVCLJXSJLCWCQQ-UHFFFAOYSA-N -1 3 352.391 3.424 20 0 FGADHM O=C(N[C@H](CO)Cc1c[nH]c2ccccc12)c1cc2c(cc1[O-])CCCC2 ZINC000436706549 501193322 /nfs/dbraw/zinc/19/33/22/501193322.db2.gz RUQFTJLHMSSCNZ-KRWDZBQOSA-N -1 3 364.445 3.086 20 0 FGADHM Cc1ccc(C(=O)Nc2cc(F)c(N3CCOCC3)cc2F)c([O-])c1C ZINC000436712163 501193876 /nfs/dbraw/zinc/19/38/76/501193876.db2.gz FANGXSBQWQQBCV-UHFFFAOYSA-N -1 3 362.376 3.376 20 0 FGADHM COc1cccc(C2(NC(=O)c3cc(C)ccc3[O-])CCOCC2)c1F ZINC000436717421 501195780 /nfs/dbraw/zinc/19/57/80/501195780.db2.gz WQVAFLSAXRZQMI-UHFFFAOYSA-N -1 3 359.397 3.284 20 0 FGADHM CN1CCN(Cc2cccc(NC(=O)c3cc(Cl)ccc3[O-])c2)CC1 ZINC000436722947 501196911 /nfs/dbraw/zinc/19/69/11/501196911.db2.gz QMANOXYYXNIMNB-UHFFFAOYSA-N -1 3 359.857 3.045 20 0 FGADHM O=C(c1cc(Br)ccc1[O-])N1CCN(C2CCCCC2)CC1 ZINC000436724875 501198123 /nfs/dbraw/zinc/19/81/23/501198123.db2.gz VJMLVXICFKIBGO-UHFFFAOYSA-N -1 3 367.287 3.245 20 0 FGADHM O=C(Nc1ccc2nc(N3CCOCC3)[nH]c2c1)c1cc(Cl)ccc1[O-] ZINC000436738513 501201218 /nfs/dbraw/zinc/20/12/18/501201218.db2.gz LMEPNKHIGUXFPN-UHFFFAOYSA-N -1 3 372.812 3.011 20 0 FGADHM CCN(Cc1ccccc1NC(=O)c1cc(OC)c([O-])c(OC)c1)C(C)=O ZINC000436739149 501201758 /nfs/dbraw/zinc/20/17/58/501201758.db2.gz NIUHTVCTEQWARM-UHFFFAOYSA-N -1 3 372.421 3.030 20 0 FGADHM O=C(CCc1ccc2ccccc2c1[O-])N1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000450182443 501203155 /nfs/dbraw/zinc/20/31/55/501203155.db2.gz CLHZSJHHSYHRAB-QAPCUYQASA-N -1 3 367.367 3.392 20 0 FGADHM CC(C)(C)OC(=O)C(C)(C)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000592776981 506240779 /nfs/dbraw/zinc/24/07/79/506240779.db2.gz BIDGBYVCQOPXRV-UHFFFAOYSA-N -1 3 372.259 3.139 20 0 FGADHM CCc1ccc(C(=O)Nc2ccc(O[C@H]3CCN(C)C3=O)cc2C)c([O-])c1 ZINC000436779682 501210010 /nfs/dbraw/zinc/21/00/10/501210010.db2.gz LZNJCLOUPIGLKV-IBGZPJMESA-N -1 3 368.433 3.125 20 0 FGADHM COc1cccc2c1OCC(c1nc(-c3ccc([O-])c(OC)c3)no1)=C2 ZINC000436785727 501211490 /nfs/dbraw/zinc/21/14/90/501211490.db2.gz AIOAUOOPKVBHRD-UHFFFAOYSA-N -1 3 352.346 3.392 20 0 FGADHM O=C(NCCCNC(=O)c1cccc([O-])c1)C1=C(c2ccccc2)CCC1 ZINC000450219693 501212918 /nfs/dbraw/zinc/21/29/18/501212918.db2.gz FDQSVIKZRSKOIW-UHFFFAOYSA-N -1 3 364.445 3.266 20 0 FGADHM CCc1ccc(C(=O)Nc2ccc(N3CCCC3=O)c(OC)c2)c([O-])c1 ZINC000436804826 501213907 /nfs/dbraw/zinc/21/39/07/501213907.db2.gz VTELDKFKBUBFQT-UHFFFAOYSA-N -1 3 354.406 3.342 20 0 FGADHM CCc1ccc(C(=O)N(Cc2ccccc2)C[C@]2(O)CCO[C@@H]2C)c([O-])c1 ZINC000436809022 501215002 /nfs/dbraw/zinc/21/50/02/501215002.db2.gz RAUUTIPBDVPQDF-OPAMFIHVSA-N -1 3 369.461 3.137 20 0 FGADHM CCOCCOCc1cccc(CNC(=O)c2ccc(CC)cc2[O-])c1 ZINC000436810476 501215113 /nfs/dbraw/zinc/21/51/13/501215113.db2.gz BBTNGJWEZXZELV-UHFFFAOYSA-N -1 3 357.450 3.438 20 0 FGADHM Cc1ccc(C(=O)Nc2ccc(C)c(C(=O)N3CCOCC3)c2)c([O-])c1C ZINC000436812721 501215234 /nfs/dbraw/zinc/21/52/34/501215234.db2.gz BUILSWSIWFTFRG-UHFFFAOYSA-N -1 3 368.433 3.042 20 0 FGADHM COc1ccc(S(=O)(=O)C[C@@H](C)c2nc(-c3ccc([O-])cc3)no2)cc1 ZINC000436815750 501215674 /nfs/dbraw/zinc/21/56/74/501215674.db2.gz XSYMWTKJJYKYBI-GFCCVEGCSA-N -1 3 374.418 3.028 20 0 FGADHM COc1ccc(C(=O)N2CCN(Cc3ccc(Cl)cc3C)CC2)c([O-])c1 ZINC000436816002 501215993 /nfs/dbraw/zinc/21/59/93/501215993.db2.gz RJHJHPBJPXHEKV-UHFFFAOYSA-N -1 3 374.868 3.321 20 0 FGADHM COCCN(C(=O)c1cc(Oc2ccccc2)ccc1[O-])[C@H]1CCO[C@H]1C ZINC000436819142 501216475 /nfs/dbraw/zinc/21/64/75/501216475.db2.gz CQMNSGYWLZAVNY-KXBFYZLASA-N -1 3 371.433 3.451 20 0 FGADHM COc1ccc(C(=O)NCc2ccccc2OCC(F)(F)F)c([O-])c1 ZINC000436829304 501217962 /nfs/dbraw/zinc/21/79/62/501217962.db2.gz LIALVXGGDOTEKE-UHFFFAOYSA-N -1 3 355.312 3.272 20 0 FGADHM CCOc1nc2cc(C(=O)N[C@@H](C)c3ccc([S@](C)=O)cc3)ccc2[n-]1 ZINC000450245956 501218244 /nfs/dbraw/zinc/21/82/44/501218244.db2.gz SNERVSFUGHNGPE-QDXKXIGTSA-N -1 3 371.462 3.190 20 0 FGADHM CCOc1nc2ccc(C(=O)N[C@@H](C)c3ccc([S@](C)=O)cc3)cc2[n-]1 ZINC000450245956 501218246 /nfs/dbraw/zinc/21/82/46/501218246.db2.gz SNERVSFUGHNGPE-QDXKXIGTSA-N -1 3 371.462 3.190 20 0 FGADHM CCc1ccc(C(=O)N[C@@H](c2c(C)nn(C)c2C)C(F)(F)F)c([O-])c1 ZINC000436833020 501218520 /nfs/dbraw/zinc/21/85/20/501218520.db2.gz KNSKKZQJACBCHT-HNNXBMFYSA-N -1 3 355.360 3.338 20 0 FGADHM CCc1ccc(C(=O)Nc2cccc(CN3CCC(O)CC3)c2)c([O-])c1 ZINC000436834080 501218673 /nfs/dbraw/zinc/21/86/73/501218673.db2.gz XXLSJYZAKKCVFZ-UHFFFAOYSA-N -1 3 354.450 3.164 20 0 FGADHM O=C(N[C@@H]1CCC[C@H]1CCO)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436838157 501219025 /nfs/dbraw/zinc/21/90/25/501219025.db2.gz JRXYIAJVOOCFCF-AZUAARDMSA-N -1 3 353.462 3.458 20 0 FGADHM COc1cccc(C(=O)NC[C@@H](NCc2ccccc2)c2ccco2)c1[O-] ZINC000436857604 501222234 /nfs/dbraw/zinc/22/22/34/501222234.db2.gz QMPYKNNFOVMSMR-QGZVFWFLSA-N -1 3 366.417 3.255 20 0 FGADHM CC(=O)c1ccc(C(=O)NCCCn2c(C)nc3ccccc32)cc1[O-] ZINC000436869586 501224309 /nfs/dbraw/zinc/22/43/09/501224309.db2.gz MMBQYSXAIIHDTP-UHFFFAOYSA-N -1 3 351.406 3.073 20 0 FGADHM O=C(c1ccc([O-])cc1)N1CCN(C(=O)c2ccc3sccc3c2)CC1 ZINC000436874467 501225688 /nfs/dbraw/zinc/22/56/88/501225688.db2.gz QWGICXVDJCKKGF-UHFFFAOYSA-N -1 3 366.442 3.205 20 0 FGADHM O=C(Cc1noc(-c2ccc3c(c2[O-])CCCC3)n1)NCc1ccccc1 ZINC000436885229 501227244 /nfs/dbraw/zinc/22/72/44/501227244.db2.gz GNUVWDCNWYJRTJ-UHFFFAOYSA-N -1 3 363.417 3.180 20 0 FGADHM Cn1[n-]c([C@H]2CCCN2CCCOc2ccc(C(C)(C)C)cc2)nc1=N ZINC000450907695 501227682 /nfs/dbraw/zinc/22/76/82/501227682.db2.gz FZJDIILCPVVELZ-QGZVFWFLSA-N -1 3 357.502 3.131 20 0 FGADHM Cc1cc2[nH]c(=NC3CCN(C(=O)c4ccccc4[O-])CC3)oc2c(C)c1 ZINC000450294553 501227900 /nfs/dbraw/zinc/22/79/00/501227900.db2.gz OXUUBPRLAPBSTB-UHFFFAOYSA-N -1 3 365.433 3.289 20 0 FGADHM COc1cccc([C@H]2[C@@H](NC(=O)c3ccccc3[O-])CCN2C2CC2)c1 ZINC000436887843 501227972 /nfs/dbraw/zinc/22/79/72/501227972.db2.gz LEGKKEZRXLCUTB-ICSRJNTNSA-N -1 3 352.434 3.109 20 0 FGADHM C[C@H](c1ccccc1Br)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000450914608 501228975 /nfs/dbraw/zinc/22/89/75/501228975.db2.gz NGILGLDZHIKBMA-SNVBAGLBSA-N -1 3 352.232 3.478 20 0 FGADHM O=C(c1ccc([O-])cc1)N1CCN(C/C=C\c2ccc(F)c(F)c2)CC1 ZINC000436889658 501228185 /nfs/dbraw/zinc/22/81/85/501228185.db2.gz YSGGOWPBKQOZQY-UPHRSURJSA-N -1 3 358.388 3.142 20 0 FGADHM CC(C)c1ccc(C(=O)N[C@@H](C)C(=O)N2Cc3ccccc3C2)c([O-])c1 ZINC000436899902 501229451 /nfs/dbraw/zinc/22/94/51/501229451.db2.gz LKCLPKVCYBHTFS-AWEZNQCLSA-N -1 3 352.434 3.176 20 0 FGADHM Cc1ccc(C(=O)N[C@@H]2CCCN([C@H](C)c3ccccc3F)C2=O)c([O-])c1 ZINC000436904319 501230345 /nfs/dbraw/zinc/23/03/45/501230345.db2.gz YOPMUUYUBUBUDL-RDTXWAMCSA-N -1 3 370.424 3.322 20 0 FGADHM CCOC(=O)c1csc(=NCCc2ccc(-c3nc(CC)no3)cc2)[n-]1 ZINC000450310217 501231097 /nfs/dbraw/zinc/23/10/97/501231097.db2.gz WNLCZQNETIEUOQ-UHFFFAOYSA-N -1 3 372.450 3.009 20 0 FGADHM CC[C@H]1NC(=O)N(c2cccc(NC(=O)c3ccc(C)c(C)c3[O-])c2)C1=O ZINC000436915849 501232207 /nfs/dbraw/zinc/23/22/07/501232207.db2.gz SPHGXDGTGYRECB-MRXNPFEDSA-N -1 3 367.405 3.096 20 0 FGADHM CCNC(=O)[C@@H](NC(=O)c1cc(Oc2ccccc2)ccc1[O-])C(C)C ZINC000436920134 501233450 /nfs/dbraw/zinc/23/34/50/501233450.db2.gz QQEUCYVPFDZCLO-SFHVURJKSA-N -1 3 356.422 3.075 20 0 FGADHM COc1cc(C)c(Br)cc1[N-]S(=O)(=O)CCCCF ZINC000451041771 501241257 /nfs/dbraw/zinc/24/12/57/501241257.db2.gz UKTZEXPSMWHTSM-UHFFFAOYSA-N -1 3 354.241 3.258 20 0 FGADHM COc1ccccc1S(=O)(=O)[N-][C@@H](c1nc(C)cs1)C(F)(F)F ZINC000451059721 501242539 /nfs/dbraw/zinc/24/25/39/501242539.db2.gz ILVFRXRGOJYZLC-NSHDSACASA-N -1 3 366.386 3.042 20 0 FGADHM CCOc1ccc(Cl)c([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c1 ZINC000451093838 501245156 /nfs/dbraw/zinc/24/51/56/501245156.db2.gz OOGXZDLVNYPDTD-UHFFFAOYSA-N -1 3 369.826 3.311 20 0 FGADHM CCCOc1ncccc1C[N-]S(=O)(=O)Cc1c(F)cccc1Cl ZINC000451112469 501246577 /nfs/dbraw/zinc/24/65/77/501246577.db2.gz GRYJITKBQRMWNO-UHFFFAOYSA-N -1 3 372.849 3.283 20 0 FGADHM CCC[C@H](CC(C)C)C(=O)N1CCC(c2n[n-]c(C(=O)OCC)n2)CC1 ZINC000451215232 501252927 /nfs/dbraw/zinc/25/29/27/501252927.db2.gz GAZVLOLMXLLOAH-OAHLLOKOSA-N -1 3 364.490 3.150 20 0 FGADHM CCC[C@H](CC(C)C)C(=O)N1CCC(c2nnc(C(=O)OCC)[n-]2)CC1 ZINC000451215232 501252928 /nfs/dbraw/zinc/25/29/28/501252928.db2.gz GAZVLOLMXLLOAH-OAHLLOKOSA-N -1 3 364.490 3.150 20 0 FGADHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2sc3ccccc3c2Cl)CCN1C ZINC000451245224 501254512 /nfs/dbraw/zinc/25/45/12/501254512.db2.gz OQHZSOZABIKYEW-MNOVXSKESA-N -1 3 358.916 3.316 20 0 FGADHM C[C@H]([N-]S(=O)(=O)CCC1CCCC1)c1nc(Cc2ccccc2)no1 ZINC000451293539 501258258 /nfs/dbraw/zinc/25/82/58/501258258.db2.gz WAIVMKGNRYKPKG-AWEZNQCLSA-N -1 3 363.483 3.221 20 0 FGADHM Cc1csc(S(=O)(=O)[N-][C@H]2CCN(Cc3ccccc3)[C@H](C)C2)c1 ZINC000451293555 501258646 /nfs/dbraw/zinc/25/86/46/501258646.db2.gz WCUQMEFXXCVVOQ-WBVHZDCISA-N -1 3 364.536 3.388 20 0 FGADHM CCC[C@H]([N-]S(=O)(=O)c1sccc1Cl)c1nnc2ccccn21 ZINC000451299626 501259826 /nfs/dbraw/zinc/25/98/26/501259826.db2.gz KHIDFYYBVVRHGZ-NSHDSACASA-N -1 3 370.887 3.264 20 0 FGADHM CCOc1ccncc1S(=O)(=O)[N-][C@H](C)c1ccccc1SC ZINC000451505840 501308803 /nfs/dbraw/zinc/30/88/03/501308803.db2.gz UVYNBOZCFOWTGK-GFCCVEGCSA-N -1 3 352.481 3.242 20 0 FGADHM CC[C@@H](C)N[C@H](C[N-]S(=O)(=O)c1sccc1Cl)c1ccco1 ZINC000451541665 501317435 /nfs/dbraw/zinc/31/74/35/501317435.db2.gz ZSUFXZFAUWNLKU-ZYHUDNBSSA-N -1 3 362.904 3.402 20 0 FGADHM CC1(F)CC([N-]S(=O)(=O)c2ccc(Cl)c(Br)c2)C1 ZINC000451629677 501339909 /nfs/dbraw/zinc/33/99/09/501339909.db2.gz FBPFFPTWTSJQAC-UHFFFAOYSA-N -1 3 356.644 3.271 20 0 FGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]2CCCCC2(F)F)c1 ZINC000451640858 501342216 /nfs/dbraw/zinc/34/22/16/501342216.db2.gz MCFYHZSBSYAJMS-JTQLQIEISA-N -1 3 353.818 3.452 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)c2ccccc21)[C@@H](O)C(F)F ZINC000451712261 501358260 /nfs/dbraw/zinc/35/82/60/501358260.db2.gz NKQABGLZUAKYGA-GXTWGEPZSA-N -1 3 363.813 3.176 20 0 FGADHM O=S(=O)([N-]C1(CF)CCOCC1)c1csc2ccc(Cl)cc12 ZINC000451737332 501363128 /nfs/dbraw/zinc/36/31/28/501363128.db2.gz NGWSJJHUCYJOCI-UHFFFAOYSA-N -1 3 363.863 3.352 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1cc(Br)cc2cccnc21)C1CC1 ZINC000451740860 501363985 /nfs/dbraw/zinc/36/39/85/501363985.db2.gz ZSNJRYFOHNOHFL-VIFPVBQESA-N -1 3 355.257 3.074 20 0 FGADHM CC(=O)NCC[C@@H]1CCCN(C(=O)CCc2ccc3ccccc3c2[O-])C1 ZINC000451770953 501369043 /nfs/dbraw/zinc/36/90/43/501369043.db2.gz GJHVQCPGQAGCMD-KRWDZBQOSA-N -1 3 368.477 3.243 20 0 FGADHM CCO[C@H](C)c1ncc(C(=O)[N-]c2cc3oc(=O)n(C)c3cc2F)s1 ZINC000458169365 501383816 /nfs/dbraw/zinc/38/38/16/501383816.db2.gz HAKMBXUJFRCAPT-MRVPVSSYSA-N -1 3 365.386 3.077 20 0 FGADHM CN(C(=O)Cc1csc(NC(=O)c2cccc([O-])c2)n1)C1CC(C)(C)C1 ZINC000458182575 501386290 /nfs/dbraw/zinc/38/62/90/501386290.db2.gz IUMVNDDNXBQRJY-UHFFFAOYSA-N -1 3 373.478 3.291 20 0 FGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@H](C)Cc1cnn(C)c1 ZINC000451972263 501410953 /nfs/dbraw/zinc/41/09/53/501410953.db2.gz VMPLQKBAPQBBMB-SNVBAGLBSA-N -1 3 367.858 3.038 20 0 FGADHM CC[C@@H](O)[C@H](CC)[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000451979342 501412108 /nfs/dbraw/zinc/41/21/08/501412108.db2.gz GOKRMXOOFHQKKX-WDEREUQCSA-N -1 3 359.797 3.187 20 0 FGADHM O=S(=O)([N-]C[C@@H]1C[C@H]1C1CC1)c1c(Cl)cccc1Br ZINC000452041501 501423518 /nfs/dbraw/zinc/42/35/18/501423518.db2.gz AIUUKPWANPLJDO-UWVGGRQHSA-N -1 3 364.692 3.427 20 0 FGADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@H]1CCO[C@H](c2cccnc2)C1 ZINC000456237719 501479012 /nfs/dbraw/zinc/47/90/12/501479012.db2.gz ANAOBUMMZHYCKN-LPHOPBHVSA-N -1 3 358.413 3.286 20 0 FGADHM CC[C@H]1CCCC[C@H]1CNC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000452424866 501497756 /nfs/dbraw/zinc/49/77/56/501497756.db2.gz RDLXORXLIYSDKP-JSGCOSHPSA-N -1 3 356.463 3.143 20 0 FGADHM CC1(CSc2nc3c(cnn3-c3cccc(Cl)c3)c(=O)[n-]2)COC1 ZINC000607759944 506257419 /nfs/dbraw/zinc/25/74/19/506257419.db2.gz NXRLGDCTHJBTTF-UHFFFAOYSA-N -1 3 362.842 3.303 20 0 FGADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@@H](C1CC1)N1CCCC1 ZINC000452754438 501557144 /nfs/dbraw/zinc/55/71/44/501557144.db2.gz LAXJAXAXFGBPEF-OAHLLOKOSA-N -1 3 353.260 3.276 20 0 FGADHM Cc1nc2cc(NC(=O)Cc3ccc([O-])cc3Cl)ccc2n1[C@H](C)CO ZINC000456730550 501588045 /nfs/dbraw/zinc/58/80/45/501588045.db2.gz UWSPYBDCEUHINJ-LLVKDONJSA-N -1 3 373.840 3.438 20 0 FGADHM O=C(CCc1ccc2ccccc2c1[O-])N[C@@H]([C@H](CO)C1CC1)C1CC1 ZINC000452960516 501593071 /nfs/dbraw/zinc/59/30/71/501593071.db2.gz UIEILDMHBSNAMS-TZIWHRDSSA-N -1 3 353.462 3.391 20 0 FGADHM CC[C@@H]1[C@H](CO)CCN1C(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000452964281 501593670 /nfs/dbraw/zinc/59/36/70/501593670.db2.gz UWGBOVAVBZUWBU-QFBILLFUSA-N -1 3 355.434 3.204 20 0 FGADHM COc1cccc([C@H]2C[C@H](N(C)C(=O)c3cc(OC)c([O-])c(OC)c3)C2)c1 ZINC000456921188 501619702 /nfs/dbraw/zinc/61/97/02/501619702.db2.gz KDYAOVAXLFMEKX-KOMQPUFPSA-N -1 3 371.433 3.436 20 0 FGADHM COC[C@@H]1CCCCN1C(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000456957953 501625952 /nfs/dbraw/zinc/62/59/52/501625952.db2.gz IKYIDIIIMZRDPA-SFHVURJKSA-N -1 3 353.418 3.264 20 0 FGADHM CC(C)[C@]1(C)C[C@@H]1NC(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000459304424 501627799 /nfs/dbraw/zinc/62/77/99/501627799.db2.gz SUEHVUAMNCLMBM-PXNSSMCTSA-N -1 3 359.470 3.187 20 0 FGADHM COc1cccc(CN(Cc2cc(=O)[n-]c(C3CC3)n2)C[C@H]2CCCO2)c1 ZINC000459306943 501628118 /nfs/dbraw/zinc/62/81/18/501628118.db2.gz QKIODFRXSHGWAS-LJQANCHMSA-N -1 3 369.465 3.249 20 0 FGADHM CCOC(=O)CC1CCN(Cc2cccc([O-])c2Br)CC1 ZINC000459310115 501628605 /nfs/dbraw/zinc/62/86/05/501628605.db2.gz UBVMEBYETHLBOX-UHFFFAOYSA-N -1 3 356.260 3.320 20 0 FGADHM O=c1cc(CNC2(c3ccc4c(c3)OCCO4)CCCC2)nc(C2CC2)[n-]1 ZINC000459350183 501637270 /nfs/dbraw/zinc/63/72/70/501637270.db2.gz JOJIGIHJQFVKJU-UHFFFAOYSA-N -1 3 367.449 3.390 20 0 FGADHM Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NCc1cc(=O)[n-]c(C2CC2)n1 ZINC000459405112 501648017 /nfs/dbraw/zinc/64/80/17/501648017.db2.gz MRXQPDCQGDXXDS-SECBINFHSA-N -1 3 369.391 3.286 20 0 FGADHM CC(C)OC(=O)C[C@@H]1CCCN(Cc2cc(=O)[n-]c(-c3ccccc3)n2)C1 ZINC000459409290 501648328 /nfs/dbraw/zinc/64/83/28/501648328.db2.gz YMWMLAKMOZUBJF-INIZCTEOSA-N -1 3 369.465 3.403 20 0 FGADHM COCCOc1ncccc1NCc1cccc([O-])c1Br ZINC000459454536 501656525 /nfs/dbraw/zinc/65/65/25/501656525.db2.gz UPIFCMZGXMCZGD-UHFFFAOYSA-N -1 3 353.216 3.187 20 0 FGADHM Cc1nn(C)c(C)c1CCCNCc1cccc([O-])c1Br ZINC000459475885 501660446 /nfs/dbraw/zinc/66/04/46/501660446.db2.gz YYMPBKPQKKBIIT-UHFFFAOYSA-N -1 3 352.276 3.227 20 0 FGADHM CC(C)(CNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])C1=CCCC1 ZINC000457180420 501662724 /nfs/dbraw/zinc/66/27/24/501662724.db2.gz KZGYMYLIWBAMEL-KRWDZBQOSA-N -1 3 356.466 3.250 20 0 FGADHM CCOc1cc(CN[C@H](Cc2ccccc2)C(=O)OC)cc(Cl)c1[O-] ZINC000459495119 501664070 /nfs/dbraw/zinc/66/40/70/501664070.db2.gz LRQAFIYKSSGDOS-MRXNPFEDSA-N -1 3 363.841 3.318 20 0 FGADHM Cc1ccc2[n-]cc(C(=O)N3CC[C@@](C)(C(=O)OC(C)(C)C)C3)c(=O)c2c1 ZINC000457230806 501669414 /nfs/dbraw/zinc/66/94/14/501669414.db2.gz KUAHTWUVRQPITH-OAQYLSRUSA-N -1 3 370.449 3.030 20 0 FGADHM CCOc1cc(CNCC(=O)N2Cc3ccccc3C2)cc(Cl)c1[O-] ZINC000459525567 501669476 /nfs/dbraw/zinc/66/94/76/501669476.db2.gz LCWZQQXXHJQQHZ-UHFFFAOYSA-N -1 3 360.841 3.076 20 0 FGADHM CCOc1cc(CN[C@@H](C)C(=O)OC(C)(C)C)cc(Br)c1[O-] ZINC000459540859 501672791 /nfs/dbraw/zinc/67/27/91/501672791.db2.gz VGZQEMYOIGHXOT-JTQLQIEISA-N -1 3 374.275 3.373 20 0 FGADHM Cc1ccc(C[C@@H](CO)NC(=O)c2cc([O-])ccc2C(F)(F)F)cc1C ZINC000457295171 501677418 /nfs/dbraw/zinc/67/74/18/501677418.db2.gz QKMUKOZTWCEOAR-AWEZNQCLSA-N -1 3 367.367 3.361 20 0 FGADHM CCOc1cc(CNCc2nn(C)cc2Br)cc(Cl)c1[O-] ZINC000459589383 501682216 /nfs/dbraw/zinc/68/22/16/501682216.db2.gz YMDURBUXYZEQGG-UHFFFAOYSA-N -1 3 374.666 3.230 20 0 FGADHM Cn1[n-]c(=NC(=O)N[C@H]2CCCC[C@H]2CC(F)(F)F)cc1OC(F)F ZINC000455221372 501710574 /nfs/dbraw/zinc/71/05/74/501710574.db2.gz ZNBZJMWXZIWEKY-IUCAKERBSA-N -1 3 370.322 3.076 20 0 FGADHM CCOC(=O)c1sc([N-]C(=O)c2ccsn2)c(C(=O)OCC)c1C ZINC000459852803 501719747 /nfs/dbraw/zinc/71/97/47/501719747.db2.gz OABUKSIKLYVGCR-UHFFFAOYSA-N -1 3 368.436 3.119 20 0 FGADHM COC[C@H]([N-]S(=O)(=O)c1c(C)c(C)cc(C)c1C)c1ccc(C)o1 ZINC000474176184 501730914 /nfs/dbraw/zinc/73/09/14/501730914.db2.gz JTUZOLVAGZPLAW-INIZCTEOSA-N -1 3 351.468 3.488 20 0 FGADHM Cc1ccccc1-c1cc(=NC(=O)[C@@H](O)Cc2ccccc2Cl)[nH][n-]1 ZINC000477619641 501740187 /nfs/dbraw/zinc/74/01/87/501740187.db2.gz SBYKUHIRNSMYQR-KRWDZBQOSA-N -1 3 355.825 3.003 20 0 FGADHM COC(=O)CC1([N-]S(=O)(=O)c2oc3ccc(Cl)cc3c2C)CCC1 ZINC000470604375 501740920 /nfs/dbraw/zinc/74/09/20/501740920.db2.gz BXPTWNMSXVGBHO-UHFFFAOYSA-N -1 3 371.842 3.159 20 0 FGADHM COC(=O)c1c(F)ccc([N-]C(=O)c2ccc(Br)o2)c1F ZINC000485159151 501742616 /nfs/dbraw/zinc/74/26/16/501742616.db2.gz KWENRQOVASWXAI-UHFFFAOYSA-N -1 3 360.110 3.359 20 0 FGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]CCc2cc(F)ccc2F)c1 ZINC000474220069 501748956 /nfs/dbraw/zinc/74/89/56/501748956.db2.gz UULBOOTXEPFXTM-UHFFFAOYSA-N -1 3 361.797 3.148 20 0 FGADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCC[C@H](C(C)(C)C)CC2)c(C)o1 ZINC000474266430 501766524 /nfs/dbraw/zinc/76/65/24/501766524.db2.gz JXPKGWGZVQGNQP-KBPBESRZSA-N -1 3 370.515 3.221 20 0 FGADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCC[C@H](C(C)(C)C)CC2)c(C)o1 ZINC000474266434 501767024 /nfs/dbraw/zinc/76/70/24/501767024.db2.gz JXPKGWGZVQGNQP-UONOGXRCSA-N -1 3 370.515 3.221 20 0 FGADHM O=C(NCc1ccc([O-])c(Br)c1)c1cc(O)ccc1Cl ZINC000481475449 501786862 /nfs/dbraw/zinc/78/68/62/501786862.db2.gz SWZLAVJPUKQBNV-UHFFFAOYSA-N -1 3 356.603 3.444 20 0 FGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCCN1CC=C(C(C)(C)C)CC1 ZINC000485363140 501798618 /nfs/dbraw/zinc/79/86/18/501798618.db2.gz YJYYFTZGWJFESH-UHFFFAOYSA-N -1 3 374.529 3.196 20 0 FGADHM COC(=O)c1cccc(F)c1[N-]S(=O)(=O)c1c(C)cc(F)cc1C ZINC000485391268 501806667 /nfs/dbraw/zinc/80/66/67/501806667.db2.gz AWFQPIZOZNJYHT-UHFFFAOYSA-N -1 3 355.362 3.169 20 0 FGADHM CC(C)n1cnc(S(=O)(=O)[N-][C@@H](C)c2cc3cccc(F)c3o2)c1 ZINC000474385038 501816802 /nfs/dbraw/zinc/81/68/02/501816802.db2.gz OYSSCWMEZDGHMI-NSHDSACASA-N -1 3 351.403 3.389 20 0 FGADHM CCCN(CC)C(=O)C(=O)[N-]c1scc(C(C)C)c1C(=O)OCC ZINC000467633306 501836688 /nfs/dbraw/zinc/83/66/88/501836688.db2.gz BHEAHEHKBJPIAS-UHFFFAOYSA-N -1 3 354.472 3.245 20 0 FGADHM CCCC(=O)Nc1cccc(NC(=O)c2c(C)[n-]c(=O)nc2SC)c1 ZINC000474517162 501863381 /nfs/dbraw/zinc/86/33/81/501863381.db2.gz NDWRKODBTUDANU-UHFFFAOYSA-N -1 3 360.439 3.203 20 0 FGADHM CN(C)Cc1ccc(NC(=O)c2cc(=O)c3ccccc3[n-]2)cc1Cl ZINC000478053858 501866929 /nfs/dbraw/zinc/86/69/29/501866929.db2.gz NQDJIFDQEYKIEL-UHFFFAOYSA-N -1 3 355.825 3.495 20 0 FGADHM CN(C)Cc1ccc(NC(=O)c2cn[nH]c2-c2ccncc2)cc1Cl ZINC000478053668 501867035 /nfs/dbraw/zinc/86/70/35/501867035.db2.gz MLOPHUYSHBHEFN-UHFFFAOYSA-N -1 3 355.829 3.439 20 0 FGADHM CN(C)Cc1ccc(NC(=O)c2c[n-]nc2-c2ccncc2)cc1Cl ZINC000478053668 501867041 /nfs/dbraw/zinc/86/70/41/501867041.db2.gz MLOPHUYSHBHEFN-UHFFFAOYSA-N -1 3 355.829 3.439 20 0 FGADHM CCCN(C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)[C@H]1C[C@@H](OCC)C1(C)C ZINC000481736465 501869186 /nfs/dbraw/zinc/86/91/86/501869186.db2.gz OEUMLYZWLFWWGF-JKSUJKDBSA-N -1 3 373.453 3.018 20 0 FGADHM CC(C)c1nccn1CCC(=O)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1 ZINC000467803690 501878608 /nfs/dbraw/zinc/87/86/08/501878608.db2.gz BJOUDFQXUCCHPN-UHFFFAOYSA-N -1 3 359.380 3.126 20 0 FGADHM COc1ccc(CN(CCc2ccccn2)C(=O)c2csc(=O)[n-]2)cc1 ZINC000478113797 501883999 /nfs/dbraw/zinc/88/39/99/501883999.db2.gz NZHJSHIFESQGSH-UHFFFAOYSA-N -1 3 369.446 3.137 20 0 FGADHM C[C@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)c1cccc(Br)c1 ZINC000485644409 501886818 /nfs/dbraw/zinc/88/68/18/501886818.db2.gz NUTRYYBOQHFKJH-JTQLQIEISA-N -1 3 372.226 3.371 20 0 FGADHM C[C@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)c1cccc(Br)c1 ZINC000485644409 501886823 /nfs/dbraw/zinc/88/68/23/501886823.db2.gz NUTRYYBOQHFKJH-JTQLQIEISA-N -1 3 372.226 3.371 20 0 FGADHM CCCCc1nc(C(=O)OCC)c(NC(=O)[C@@H](C)Oc2ccccc2)[n-]1 ZINC000485663072 501892265 /nfs/dbraw/zinc/89/22/65/501892265.db2.gz AKMQSHLLXSGTJM-CYBMUJFWSA-N -1 3 359.426 3.335 20 0 FGADHM CCCCc1nc(NC(=O)[C@@H](C)Oc2ccccc2)c(C(=O)OCC)[n-]1 ZINC000485663072 501892270 /nfs/dbraw/zinc/89/22/70/501892270.db2.gz AKMQSHLLXSGTJM-CYBMUJFWSA-N -1 3 359.426 3.335 20 0 FGADHM C[C@H](C(=O)Nc1ccc(F)c([N-]S(C)(=O)=O)c1)c1ccc(F)c(F)c1 ZINC000460681043 501895265 /nfs/dbraw/zinc/89/52/65/501895265.db2.gz ULHGIJHOQVXYTR-VIFPVBQESA-N -1 3 372.368 3.218 20 0 FGADHM C[C@@H](C(=O)Nc1ccccc1[N-]S(C)(=O)=O)c1ccc(F)c(F)c1 ZINC000460688329 501896009 /nfs/dbraw/zinc/89/60/09/501896009.db2.gz KBUPRSYVZXQOBE-SNVBAGLBSA-N -1 3 354.378 3.079 20 0 FGADHM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)c1ccc(C2CCC2)cc1 ZINC000485677632 501898857 /nfs/dbraw/zinc/89/88/57/501898857.db2.gz YBPQQKSVUIAYEY-UHFFFAOYSA-N -1 3 356.378 3.108 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)c3cccc4oc(C)nc43)[n-]c21 ZINC000471039902 501899672 /nfs/dbraw/zinc/89/96/72/501899672.db2.gz XVRSKLIYMYYBHG-UHFFFAOYSA-N -1 3 350.334 3.051 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cccc4oc(C)nc43)nc21 ZINC000471039902 501899674 /nfs/dbraw/zinc/89/96/74/501899674.db2.gz XVRSKLIYMYYBHG-UHFFFAOYSA-N -1 3 350.334 3.051 20 0 FGADHM Cc1ccc(C)c(OCCCCC(=O)NCc2nnc(C(F)(F)F)[n-]2)c1 ZINC000481889823 501910177 /nfs/dbraw/zinc/91/01/77/501910177.db2.gz GZTUVGYLVNKYSP-UHFFFAOYSA-N -1 3 370.375 3.306 20 0 FGADHM Cc1ccc(C)c(OCCCCC(=O)NCc2n[n-]c(C(F)(F)F)n2)c1 ZINC000481889823 501910181 /nfs/dbraw/zinc/91/01/81/501910181.db2.gz GZTUVGYLVNKYSP-UHFFFAOYSA-N -1 3 370.375 3.306 20 0 FGADHM Cc1ccc(C)c(OCCCCC(=O)NCc2nc(C(F)(F)F)n[n-]2)c1 ZINC000481889823 501910189 /nfs/dbraw/zinc/91/01/89/501910189.db2.gz GZTUVGYLVNKYSP-UHFFFAOYSA-N -1 3 370.375 3.306 20 0 FGADHM Cc1nc(C)c(CC(=O)N2CCC(c3cccc(Cl)c3)CC2)c(=O)[n-]1 ZINC000478230482 501916660 /nfs/dbraw/zinc/91/66/60/501916660.db2.gz PLLJGPLSSKNWLH-UHFFFAOYSA-N -1 3 359.857 3.401 20 0 FGADHM Cc1ccc(-c2nc(C)c(C(=O)NCc3nnc(C(F)(F)F)[n-]3)s2)o1 ZINC000481932383 501922260 /nfs/dbraw/zinc/92/22/60/501922260.db2.gz MDYTVKUZBOQRRZ-UHFFFAOYSA-N -1 3 371.344 3.087 20 0 FGADHM Cc1ccc(-c2nc(C)c(C(=O)NCc3n[n-]c(C(F)(F)F)n3)s2)o1 ZINC000481932383 501922264 /nfs/dbraw/zinc/92/22/64/501922264.db2.gz MDYTVKUZBOQRRZ-UHFFFAOYSA-N -1 3 371.344 3.087 20 0 FGADHM Cc1ccc(-c2nc(C)c(C(=O)NCc3nc(C(F)(F)F)n[n-]3)s2)o1 ZINC000481932383 501922270 /nfs/dbraw/zinc/92/22/70/501922270.db2.gz MDYTVKUZBOQRRZ-UHFFFAOYSA-N -1 3 371.344 3.087 20 0 FGADHM O=C(CCC(=O)c1ccc2c(c1)CCC(=O)N2)Nc1cc(F)ccc1[O-] ZINC000467996444 501924617 /nfs/dbraw/zinc/92/46/17/501924617.db2.gz YBVSVTURGPMFRC-UHFFFAOYSA-N -1 3 356.353 3.018 20 0 FGADHM O=C(NCCC1CC1)c1sccc1S(=O)(=O)[N-]C1CCCCCC1 ZINC000464230452 501927545 /nfs/dbraw/zinc/92/75/45/501927545.db2.gz GEQINOBREQNTEK-UHFFFAOYSA-N -1 3 370.540 3.279 20 0 FGADHM O=C(NCc1ncccc1[O-])N[C@H](c1cccc(F)c1F)C(F)(F)F ZINC000468008802 501928341 /nfs/dbraw/zinc/92/83/41/501928341.db2.gz FBEJUMAZBQDIMN-CYBMUJFWSA-N -1 3 361.270 3.168 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(OCC(F)F)cc2)c(C)c1 ZINC000481958007 501929923 /nfs/dbraw/zinc/92/99/23/501929923.db2.gz IQZCWDGGRSLRMU-UHFFFAOYSA-N -1 3 357.378 3.448 20 0 FGADHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(C)=O)c(Cl)c2)c(C)c1 ZINC000481968691 501931217 /nfs/dbraw/zinc/93/12/17/501931217.db2.gz BDRWJQBDGDYCDJ-UHFFFAOYSA-N -1 3 368.842 3.416 20 0 FGADHM O=S(=O)([N-]c1cc(Cl)ccc1OC[C@H]1CCCO1)N1CCCCC1 ZINC000460830776 501931427 /nfs/dbraw/zinc/93/14/27/501931427.db2.gz TUYDYUSRSKLLEO-CQSZACIVSA-N -1 3 374.890 3.040 20 0 FGADHM COc1ccc(OCCS(=O)(=O)[N-]c2ccc(CSC)cc2)cc1 ZINC000460839427 501934725 /nfs/dbraw/zinc/93/47/25/501934725.db2.gz ZFJCILMYYSTFGT-UHFFFAOYSA-N -1 3 367.492 3.379 20 0 FGADHM Cc1ccc([C@H]2CCCCN2C(=O)CNC(=O)c2cccc([O-])c2)cc1 ZINC000474737551 501938498 /nfs/dbraw/zinc/93/84/98/501938498.db2.gz JHMKFMPUMIYUKD-LJQANCHMSA-N -1 3 352.434 3.184 20 0 FGADHM O=C(Nc1nnc(-c2c(F)cccc2F)[n-]1)c1ccc(-n2ccnc2)cc1 ZINC000478314852 501939938 /nfs/dbraw/zinc/93/99/38/501939938.db2.gz OCHBBYLNSCCCGR-UHFFFAOYSA-N -1 3 366.331 3.188 20 0 FGADHM O=C(Nc1nc(-c2c(F)cccc2F)n[n-]1)c1ccc(-n2ccnc2)cc1 ZINC000478314852 501939942 /nfs/dbraw/zinc/93/99/42/501939942.db2.gz OCHBBYLNSCCCGR-UHFFFAOYSA-N -1 3 366.331 3.188 20 0 FGADHM O=C(Nc1n[n-]c(-c2c(F)cccc2F)n1)c1ccc(-n2ccnc2)cc1 ZINC000478314852 501939944 /nfs/dbraw/zinc/93/99/44/501939944.db2.gz OCHBBYLNSCCCGR-UHFFFAOYSA-N -1 3 366.331 3.188 20 0 FGADHM O=C(Nc1nnc(-c2c(F)cccc2F)[n-]1)c1cnn(-c2ccccc2)c1 ZINC000478320594 501942183 /nfs/dbraw/zinc/94/21/83/501942183.db2.gz CNMAQSYZOOXUHY-UHFFFAOYSA-N -1 3 366.331 3.188 20 0 FGADHM O=C(Nc1nc(-c2c(F)cccc2F)n[n-]1)c1cnn(-c2ccccc2)c1 ZINC000478320594 501942188 /nfs/dbraw/zinc/94/21/88/501942188.db2.gz CNMAQSYZOOXUHY-UHFFFAOYSA-N -1 3 366.331 3.188 20 0 FGADHM O=C(Nc1n[n-]c(-c2c(F)cccc2F)n1)c1cnn(-c2ccccc2)c1 ZINC000478320594 501942191 /nfs/dbraw/zinc/94/21/91/501942191.db2.gz CNMAQSYZOOXUHY-UHFFFAOYSA-N -1 3 366.331 3.188 20 0 FGADHM COc1cc(CC(=O)Nc2nnc(-c3c(F)cccc3F)[n-]2)ccc1C ZINC000478330673 501945292 /nfs/dbraw/zinc/94/52/92/501945292.db2.gz WCVFECXMWNOUKA-UHFFFAOYSA-N -1 3 358.348 3.248 20 0 FGADHM COc1cc(CC(=O)Nc2nc(-c3c(F)cccc3F)n[n-]2)ccc1C ZINC000478330673 501945295 /nfs/dbraw/zinc/94/52/95/501945295.db2.gz WCVFECXMWNOUKA-UHFFFAOYSA-N -1 3 358.348 3.248 20 0 FGADHM COc1cc(CC(=O)Nc2n[n-]c(-c3c(F)cccc3F)n2)ccc1C ZINC000478330673 501945302 /nfs/dbraw/zinc/94/53/02/501945302.db2.gz WCVFECXMWNOUKA-UHFFFAOYSA-N -1 3 358.348 3.248 20 0 FGADHM O=C(c1cccc([O-])c1)N1CCN(CCCc2ccc(Cl)cc2)CC1 ZINC000471182828 501947998 /nfs/dbraw/zinc/94/79/98/501947998.db2.gz UGIOKHAJGGUYLB-UHFFFAOYSA-N -1 3 358.869 3.436 20 0 FGADHM CC(C)c1nccn1Cc1cccc(NC(=O)NCc2ncccc2[O-])c1 ZINC000471189727 501950730 /nfs/dbraw/zinc/95/07/30/501950730.db2.gz BWEVUAGARGKICS-UHFFFAOYSA-N -1 3 365.437 3.477 20 0 FGADHM O=S(=O)(Cc1ccccc1Cl)[N-]Cc1ncc(-c2ccccc2)cn1 ZINC000460889169 501951994 /nfs/dbraw/zinc/95/19/94/501951994.db2.gz JLYWYZQIIJTZIJ-UHFFFAOYSA-N -1 3 373.865 3.417 20 0 FGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)N[C@@H]1C[C@H]1c1ccccc1 ZINC000482047250 501956569 /nfs/dbraw/zinc/95/65/69/501956569.db2.gz JVLPGOADVZKVPD-LSDHHAIUSA-N -1 3 371.238 3.196 20 0 FGADHM CCCN(CCC)C(=O)c1ccc(NC(=O)NCc2ncccc2[O-])cc1 ZINC000471215089 501957655 /nfs/dbraw/zinc/95/76/55/501957655.db2.gz HDPMNCBVFQRCAO-UHFFFAOYSA-N -1 3 370.453 3.371 20 0 FGADHM CCc1ncc(S(=O)(=O)[N-][C@@H](c2ccccc2)c2ccccn2)s1 ZINC000460913957 501957757 /nfs/dbraw/zinc/95/77/57/501957757.db2.gz QSLJRXBTQLPLSR-KRWDZBQOSA-N -1 3 359.476 3.168 20 0 FGADHM CCc1ncc(S(=O)(=O)[N-][C@H](C)c2cccc(OC(F)F)c2)s1 ZINC000460930974 501961263 /nfs/dbraw/zinc/96/12/63/501961263.db2.gz JODNOHXMAQMYAI-SECBINFHSA-N -1 3 362.423 3.346 20 0 FGADHM C[C@@]1(c2cccc(NC(=O)c3ccc4sccc4c3)c2)NC(=O)[N-]C1=O ZINC000471234012 501963097 /nfs/dbraw/zinc/96/30/97/501963097.db2.gz MCVGUOZHVZBONV-IBGZPJMESA-N -1 3 365.414 3.208 20 0 FGADHM CC[C@@H](C)CN(CC)C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482108556 501977640 /nfs/dbraw/zinc/97/76/40/501977640.db2.gz YLZVQKMLVALRCT-LLVKDONJSA-N -1 3 353.264 3.419 20 0 FGADHM COCCCC[C@H](NC(=O)CCc1c(C)nc(C)[n-]c1=O)c1ccccc1 ZINC000471326160 501990291 /nfs/dbraw/zinc/99/02/91/501990291.db2.gz CUIIMRWZWLIHNB-IBGZPJMESA-N -1 3 371.481 3.406 20 0 FGADHM CCN=c1[n-]c(C(=O)N[C@@H](C)c2ccc(OCC)c(OCC)c2)cs1 ZINC000478466417 501991411 /nfs/dbraw/zinc/99/14/11/501991411.db2.gz XELNINDTDALRFP-LBPRGKRZSA-N -1 3 363.483 3.285 20 0 FGADHM CC[C@@H]1CCCCN1C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482157936 501992715 /nfs/dbraw/zinc/99/27/15/501992715.db2.gz IIUVVZDMSOUQQZ-GFCCVEGCSA-N -1 3 351.248 3.315 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-][C@H](C)c1ccc2ncsc2c1 ZINC000485939857 501994359 /nfs/dbraw/zinc/99/43/59/501994359.db2.gz JGWUDRUKBIPYSF-SECBINFHSA-N -1 3 354.478 3.406 20 0 FGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)[C@@H](C)Sc2ccccc2)c1 ZINC000461034137 501994629 /nfs/dbraw/zinc/99/46/29/501994629.db2.gz PRDDROAZVCEDQF-CYBMUJFWSA-N -1 3 364.492 3.486 20 0 FGADHM C[C@@H]1CN(C(=O)N=c2cc3ccc(Br)cn3[n-]2)CC(C)(C)C1 ZINC000482181594 502000257 /nfs/dbraw/zinc/00/02/57/502000257.db2.gz DSTHPRSQESZPOJ-NSHDSACASA-N -1 3 365.275 3.419 20 0 FGADHM O=S(=O)([N-]C[C@H](c1ccccc1)C(F)(F)F)c1cncc(Cl)c1 ZINC000485956270 502001716 /nfs/dbraw/zinc/00/17/16/502001716.db2.gz WONHIGSLQWEXMN-CYBMUJFWSA-N -1 3 364.776 3.359 20 0 FGADHM Cc1ccc(-c2ccc(C(=O)NCc3nnc(C(F)(F)F)[n-]3)s2)o1 ZINC000482207317 502007344 /nfs/dbraw/zinc/00/73/44/502007344.db2.gz DEBBLHORDHRYBY-UHFFFAOYSA-N -1 3 356.329 3.383 20 0 FGADHM Cc1ccc(-c2ccc(C(=O)NCc3n[n-]c(C(F)(F)F)n3)s2)o1 ZINC000482207317 502007347 /nfs/dbraw/zinc/00/73/47/502007347.db2.gz DEBBLHORDHRYBY-UHFFFAOYSA-N -1 3 356.329 3.383 20 0 FGADHM Cc1ccc(-c2ccc(C(=O)NCc3nc(C(F)(F)F)n[n-]3)s2)o1 ZINC000482207317 502007351 /nfs/dbraw/zinc/00/73/51/502007351.db2.gz DEBBLHORDHRYBY-UHFFFAOYSA-N -1 3 356.329 3.383 20 0 FGADHM CC(C)c1ccc(CN(C(=O)CNC(=O)c2cccc([O-])c2)C2CC2)cc1 ZINC000471407951 502015761 /nfs/dbraw/zinc/01/57/61/502015761.db2.gz XAKQDHCUVGPPJB-UHFFFAOYSA-N -1 3 366.461 3.437 20 0 FGADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)c1ccc(Oc2ccccc2)o1 ZINC000482240069 502016437 /nfs/dbraw/zinc/01/64/37/502016437.db2.gz INHDSYAOSUMPBP-UHFFFAOYSA-N -1 3 352.272 3.139 20 0 FGADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)c1ccc(Oc2ccccc2)o1 ZINC000482240069 502016439 /nfs/dbraw/zinc/01/64/39/502016439.db2.gz INHDSYAOSUMPBP-UHFFFAOYSA-N -1 3 352.272 3.139 20 0 FGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1ccc(Oc2ccccc2)o1 ZINC000482240069 502016444 /nfs/dbraw/zinc/01/64/44/502016444.db2.gz INHDSYAOSUMPBP-UHFFFAOYSA-N -1 3 352.272 3.139 20 0 FGADHM CC[C@@H](Oc1ccccc1C(C)C)C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000482249665 502019736 /nfs/dbraw/zinc/01/97/36/502019736.db2.gz ZMAKZDIJXCYUSH-GFCCVEGCSA-N -1 3 370.375 3.421 20 0 FGADHM CC[C@@H](Oc1ccccc1C(C)C)C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000482249665 502019741 /nfs/dbraw/zinc/01/97/41/502019741.db2.gz ZMAKZDIJXCYUSH-GFCCVEGCSA-N -1 3 370.375 3.421 20 0 FGADHM CC[C@@H](Oc1ccccc1C(C)C)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000482249665 502019745 /nfs/dbraw/zinc/01/97/45/502019745.db2.gz ZMAKZDIJXCYUSH-GFCCVEGCSA-N -1 3 370.375 3.421 20 0 FGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]CC(=O)c1ccccc1Cl ZINC000486078626 502039333 /nfs/dbraw/zinc/03/93/33/502039333.db2.gz LBSPOTALNBHJHE-UHFFFAOYSA-N -1 3 374.245 3.163 20 0 FGADHM O=C(c1cc(=O)c2cc(Br)ccc2[n-]1)N1Cc2ccccc2C1 ZINC000602767073 506290443 /nfs/dbraw/zinc/29/04/43/506290443.db2.gz GBUPYBCMZBHUBX-UHFFFAOYSA-N -1 3 369.218 3.447 20 0 FGADHM 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FGADHM CCC[C@H](C[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)C(=O)OCC ZINC000462053243 502287985 /nfs/dbraw/zinc/28/79/85/502287985.db2.gz CMYOJWVRGMDPPG-SECBINFHSA-N -1 3 373.418 3.025 20 0 FGADHM COCC[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)c1ccco1 ZINC000462054100 502288051 /nfs/dbraw/zinc/28/80/51/502288051.db2.gz DYKUQWZQRVSJDO-VIFPVBQESA-N -1 3 369.386 3.416 20 0 FGADHM CC(=O)[C@@H]1C[C@H](CC(=O)Nc2nnc(-c3c(F)cccc3F)[n-]2)C1(C)C ZINC000483144406 502289326 /nfs/dbraw/zinc/28/93/26/502289326.db2.gz NJDYJYQXPCOUBB-MNOVXSKESA-N -1 3 362.380 3.330 20 0 FGADHM CC(=O)[C@@H]1C[C@H](CC(=O)Nc2nc(-c3c(F)cccc3F)n[n-]2)C1(C)C ZINC000483144406 502289331 /nfs/dbraw/zinc/28/93/31/502289331.db2.gz NJDYJYQXPCOUBB-MNOVXSKESA-N -1 3 362.380 3.330 20 0 FGADHM CC(=O)[C@@H]1C[C@H](CC(=O)Nc2n[n-]c(-c3c(F)cccc3F)n2)C1(C)C ZINC000483144406 502289335 /nfs/dbraw/zinc/28/93/35/502289335.db2.gz NJDYJYQXPCOUBB-MNOVXSKESA-N -1 3 362.380 3.330 20 0 FGADHM O=S(=O)([N-]C[C@@H]1CCCCN1C1CC1)c1ccc(C(F)(F)F)s1 ZINC000462065387 502292092 /nfs/dbraw/zinc/29/20/92/502292092.db2.gz BRQSMLPOOBUEAP-NSHDSACASA-N -1 3 368.446 3.062 20 0 FGADHM Cc1cccc2c(=O)c(C(=O)N(C)[C@H](C)Cc3ccc(O)cc3)c[n-]c12 ZINC000483157229 502296390 /nfs/dbraw/zinc/29/63/90/502296390.db2.gz KBOUTDGXGUYEOD-CQSZACIVSA-N -1 3 350.418 3.245 20 0 FGADHM COCC[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)C(C)(C)C ZINC000462078376 502298495 /nfs/dbraw/zinc/29/84/95/502298495.db2.gz XZKNKSULNWYXJR-VIFPVBQESA-N -1 3 359.435 3.496 20 0 FGADHM CC(C)(C)CC[C@H](CO)[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000462080093 502299414 /nfs/dbraw/zinc/29/94/14/502299414.db2.gz RVLFLYGKBRTXCM-SECBINFHSA-N -1 3 359.435 3.232 20 0 FGADHM CC[C@H](Oc1ccccc1C)C(=O)[N-]c1nc(C)nn1-c1ccccc1 ZINC000479572674 502301694 /nfs/dbraw/zinc/30/16/94/502301694.db2.gz FXCVDBJEDJPWCW-KRWDZBQOSA-N -1 3 350.422 3.102 20 0 FGADHM O=C([N-]c1cc(Cl)ccc1-n1cncn1)c1cc(-c2ccccn2)no1 ZINC000462112023 502311937 /nfs/dbraw/zinc/31/19/37/502311937.db2.gz LYHZYBUUHYIBQB-UHFFFAOYSA-N -1 3 366.768 3.223 20 0 FGADHM 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JHKOCXHPJPBDQL-UHFFFAOYSA-N -1 3 369.253 3.416 20 0 FGADHM O=C(Nc1n[n-]c(-c2c(F)cccc2F)n1)c1ccc(C(F)(F)F)nc1 ZINC000479763779 502371112 /nfs/dbraw/zinc/37/11/12/502371112.db2.gz JHKOCXHPJPBDQL-UHFFFAOYSA-N -1 3 369.253 3.416 20 0 FGADHM CCCN(CC(=O)OC(C)(C)C)C(=O)c1c[n-]c2c(C)cccc2c1=O ZINC000483418258 502383656 /nfs/dbraw/zinc/38/36/56/502383656.db2.gz ZYDPLJRFIPKOIA-UHFFFAOYSA-N -1 3 358.438 3.030 20 0 FGADHM COc1ccccc1[C@@]1(C)C[C@H]1[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000462304742 502386117 /nfs/dbraw/zinc/38/61/17/502386117.db2.gz FMFIMGICLLNQRC-NVXWUHKLSA-N -1 3 369.845 3.496 20 0 FGADHM CC[C@@H]1CN(C(=O)CCc2ccc3ccccc3c2[O-])C[C@]2(CCOC2)O1 ZINC000582587541 506310115 /nfs/dbraw/zinc/31/01/15/506310115.db2.gz JMXPUUKBIIONRT-GCJKJVERSA-N -1 3 369.461 3.275 20 0 FGADHM COCCOc1ccc(F)cc1S(=O)(=O)[N-][C@H]1CCCC[C@H]1C(C)C ZINC000469362983 502387601 /nfs/dbraw/zinc/38/76/01/502387601.db2.gz UWGIQJLKMDAXCW-HOTGVXAUSA-N -1 3 373.490 3.344 20 0 FGADHM COc1ccccc1[C@]1(C)C[C@@H]1[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000462313447 502389528 /nfs/dbraw/zinc/38/95/28/502389528.db2.gz FJUSNNPHKSHVPW-IRXDYDNUSA-N -1 3 369.845 3.496 20 0 FGADHM COC(=O)c1cc([N-]C(=O)c2sc([C@@H](C)OC)nc2C)c(F)cc1F ZINC000487215513 502393058 /nfs/dbraw/zinc/39/30/58/502393058.db2.gz BXPOAKCJZCSUOH-MRVPVSSYSA-N -1 3 370.377 3.476 20 0 FGADHM CCc1ccc([C@H](COC)[N-]S(=O)(=O)c2ccc(C)c(Cl)c2)o1 ZINC000462324533 502393290 /nfs/dbraw/zinc/39/32/90/502393290.db2.gz KXBATSBOQFSOJE-HNNXBMFYSA-N -1 3 357.859 3.470 20 0 FGADHM Cc1cccc([C@H](C)C[N-]S(=O)(=O)c2ccc(Br)cn2)c1 ZINC000462337399 502398653 /nfs/dbraw/zinc/39/86/53/502398653.db2.gz QHNABKYTORYPIA-GFCCVEGCSA-N -1 3 369.284 3.235 20 0 FGADHM O=C(c1c[n-]c2c(F)cc(F)cc2c1=O)N1CCC[C@H]1c1cccnc1 ZINC000479868429 502401680 /nfs/dbraw/zinc/40/16/80/502401680.db2.gz XGIXYHFUUCVEEX-INIZCTEOSA-N -1 3 355.344 3.179 20 0 FGADHM O=S(=O)([N-]CCc1c[nH]c2ccc(F)cc12)c1cc(F)c(F)c(F)c1 ZINC000462358460 502406334 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FGADHM COCC[C@H]([N-]S(=O)(=O)c1cc(OC)ccc1Cl)c1ccc(C)o1 ZINC000480042555 502455389 /nfs/dbraw/zinc/45/53/89/502455389.db2.gz GTPARGGAUWTFQC-AWEZNQCLSA-N -1 3 373.858 3.306 20 0 FGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCN(C)[C@H](C)C2)c1Cl ZINC000462490448 502461192 /nfs/dbraw/zinc/46/11/92/502461192.db2.gz NJVFTCHKEGHAOW-GHMZBOCLSA-N -1 3 351.299 3.063 20 0 FGADHM CCc1cc(C(=O)NCc2ccncc2OCC(F)(F)F)ccc1[O-] ZINC000487550442 502476489 /nfs/dbraw/zinc/47/64/89/502476489.db2.gz LCLFWPXUJRQIMV-UHFFFAOYSA-N -1 3 354.328 3.221 20 0 FGADHM CCN(CC)[C@H](CN=c1[n-]nc(C(F)(F)F)s1)Cc1ccccc1 ZINC000480114984 502476661 /nfs/dbraw/zinc/47/66/61/502476661.db2.gz WDCAIJXHZKKKTE-ZDUSSCGKSA-N -1 3 358.433 3.344 20 0 FGADHM CCOc1nc2cc(C(=O)N3CCO[C@H](c4ccccc4F)C3)ccc2[n-]1 ZINC000469649552 502491472 /nfs/dbraw/zinc/49/14/72/502491472.db2.gz HYMJTWZMZXUXRD-SFHVURJKSA-N -1 3 369.396 3.314 20 0 FGADHM CCOc1nc2ccc(C(=O)N3CCO[C@H](c4ccccc4F)C3)cc2[n-]1 ZINC000469649552 502491477 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CCOc1nc2ccc(C(=O)N(C)CCOCc3ccccc3)cc2[n-]1 ZINC000469709624 502510486 /nfs/dbraw/zinc/51/04/86/502510486.db2.gz JFCYONJEVOMJNO-UHFFFAOYSA-N -1 3 353.422 3.250 20 0 FGADHM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2cncc(Cl)c2Cl)cc1 ZINC000480257054 502514530 /nfs/dbraw/zinc/51/45/30/502514530.db2.gz CTJLFTXPOJTRAV-UHFFFAOYSA-N -1 3 374.249 3.172 20 0 FGADHM C[C@H]1CCCc2ccccc2[C@@H]1NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000462643374 502519814 /nfs/dbraw/zinc/51/98/14/502519814.db2.gz QBKTUICOXVXINS-KPZWWZAWSA-N -1 3 363.417 3.405 20 0 FGADHM O=C([N-]c1nnc(-c2ccccc2)s1)c1cnc(C(F)(F)F)nc1 ZINC000487763940 502524446 /nfs/dbraw/zinc/52/44/46/502524446.db2.gz WRZILIVKBUKMPW-UHFFFAOYSA-N -1 3 351.313 3.266 20 0 FGADHM Cc1ccccc1-c1cc(=NC(=O)c2cc(F)ccc2-n2cccn2)[nH][n-]1 ZINC000476573607 502530720 /nfs/dbraw/zinc/53/07/20/502530720.db2.gz OBWPZIPQMHZQAJ-UHFFFAOYSA-N -1 3 361.380 3.384 20 0 FGADHM FC(F)(F)c1nnc(CNc2nc3ccccc3c(-c3ccccc3)n2)[n-]1 ZINC000480325637 502537833 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ZINC000480853198 502689531 /nfs/dbraw/zinc/68/95/31/502689531.db2.gz PHEKAQZFSMNZCU-ZWNOBZJWSA-N -1 3 363.310 3.063 20 0 FGADHM C[C@@H](NC(=O)Cc1ccc(Br)cc1[O-])c1cccc(O)c1 ZINC000480858586 502690856 /nfs/dbraw/zinc/69/08/56/502690856.db2.gz DXTCVWQJOKGJGJ-SNVBAGLBSA-N -1 3 350.212 3.280 20 0 FGADHM CCOc1ccc(Nc2ncccc2C(=O)N=c2[nH][n-]c(CC)c2C)cc1 ZINC000477148850 502691805 /nfs/dbraw/zinc/69/18/05/502691805.db2.gz IWWITCUGJPIOAJ-UHFFFAOYSA-N -1 3 365.437 3.492 20 0 FGADHM CC(C)(C)N=c1[n-]nc([C@H]2CCO[C@@H]2C(C)(C)C)n1C[C@H]1CCCCO1 ZINC000463104665 502696780 /nfs/dbraw/zinc/69/67/80/502696780.db2.gz KNESZRVRQCTXNV-PMPSAXMXSA-N -1 3 364.534 3.398 20 0 FGADHM O=C(Cc1ccc(Br)cc1[O-])N[C@H]1CCCc2occc21 ZINC000477199766 502706111 /nfs/dbraw/zinc/70/61/11/502706111.db2.gz DORCQKGMGNXKTJ-ZDUSSCGKSA-N -1 3 350.212 3.484 20 0 FGADHM COc1ccc(S(=O)(=O)[N-][C@H]2CCCc3ccc(F)cc32)c(F)c1 ZINC000480957922 502713269 /nfs/dbraw/zinc/71/32/69/502713269.db2.gz WUDNHJFURLTIFR-INIZCTEOSA-N -1 3 353.390 3.329 20 0 FGADHM CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)Nc2nnc(C(F)(F)F)[n-]2)c1 ZINC000463190211 502714661 /nfs/dbraw/zinc/71/46/61/502714661.db2.gz LGTHOAUHAHODTH-UHFFFAOYSA-N -1 3 373.310 3.200 20 0 FGADHM CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)Nc2nc(C(F)(F)F)n[n-]2)c1 ZINC000463190211 502714668 /nfs/dbraw/zinc/71/46/68/502714668.db2.gz LGTHOAUHAHODTH-UHFFFAOYSA-N -1 3 373.310 3.200 20 0 FGADHM CC(C)Cn1cnc(S(=O)(=O)[N-][C@H]2CCCc3ccc(F)cc32)c1 ZINC000480987152 502720814 /nfs/dbraw/zinc/72/08/14/502720814.db2.gz YHZXEBGGGJCWMX-INIZCTEOSA-N -1 3 351.447 3.034 20 0 FGADHM O=C(CCc1ccccc1OC(F)(F)F)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000473848717 502722093 /nfs/dbraw/zinc/72/20/93/502722093.db2.gz SVRAQWYKVUOTLB-CQSZACIVSA-N -1 3 369.343 3.153 20 0 FGADHM O=C(CCCCC(=O)c1ccc(F)cc1)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000473849812 502723977 /nfs/dbraw/zinc/72/39/77/502723977.db2.gz MAARIWCDZGPSTR-KRWDZBQOSA-N -1 3 359.401 3.204 20 0 FGADHM C[C@H](C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1ccc(Br)cc1 ZINC000473851491 502725467 /nfs/dbraw/zinc/72/54/67/502725467.db2.gz CAELNHOTPRZDJH-HZMBPMFUSA-N -1 3 364.243 3.188 20 0 FGADHM CC[C@H](C)N(C)CC[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000473854589 502726463 /nfs/dbraw/zinc/72/64/63/502726463.db2.gz PFTCBYOXXCAKSX-VIFPVBQESA-N -1 3 357.278 3.141 20 0 FGADHM CC[C@@H](CCO)C[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000481010388 502727784 /nfs/dbraw/zinc/72/77/84/502727784.db2.gz UZKSUGPCCDBUFK-NSHDSACASA-N -1 3 374.915 3.150 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]CCCCN(C)c2ccccc2)c(F)c1 ZINC000481060018 502743675 /nfs/dbraw/zinc/74/36/75/502743675.db2.gz PKRXHIFQQZBOEK-UHFFFAOYSA-N -1 3 366.458 3.029 20 0 FGADHM CC(C)c1nn(C)c2sc(C(=O)Nc3cccc(-c4nn[n-]n4)c3)cc12 ZINC000463300817 502748902 /nfs/dbraw/zinc/74/89/02/502748902.db2.gz NNDVRWHUMYDVIB-UHFFFAOYSA-N -1 3 367.438 3.191 20 0 FGADHM CCc1cc(=O)[n-]c(CS[C@@H]2CCCN(c3cccc(F)c3)C2=O)n1 ZINC000477353654 502752200 /nfs/dbraw/zinc/75/22/00/502752200.db2.gz UFIKCJRRVYJPLD-OAHLLOKOSA-N -1 3 361.442 3.313 20 0 FGADHM Cc1nc(C)c(S(=O)(=O)[N-][C@@H](C)[C@@H](c2ccccc2C)N(C)C)s1 ZINC000473935503 502754132 /nfs/dbraw/zinc/75/41/32/502754132.db2.gz BCBDRBVKFRWKOZ-LRDDRELGSA-N -1 3 367.540 3.038 20 0 FGADHM CC[C@@H](C)n1nc(C(=O)Nc2cc(C)ccc2[N-]S(C)(=O)=O)cc1C ZINC000477377406 502758671 /nfs/dbraw/zinc/75/86/71/502758671.db2.gz GONXVYHSVFKUSM-GFCCVEGCSA-N -1 3 364.471 3.095 20 0 FGADHM CCO[C@H]1C[C@@H](N(C)C(=O)Cc2ccc(Br)cc2[O-])C1(C)C ZINC000477377920 502758765 /nfs/dbraw/zinc/75/87/65/502758765.db2.gz HWKOEFLEGAETOM-CABCVRRESA-N -1 3 370.287 3.359 20 0 FGADHM CCc1nn(C)c(CC)c1C[N-]S(=O)(=O)c1cc(C)c(Cl)s1 ZINC000473950470 502760181 /nfs/dbraw/zinc/76/01/81/502760181.db2.gz LQPHHXBFXRLXHJ-UHFFFAOYSA-N -1 3 361.920 3.047 20 0 FGADHM O=C(Cc1ccc(Br)cc1[O-])N[C@H](CCO)C1CCCCC1 ZINC000477419152 502769885 /nfs/dbraw/zinc/76/98/85/502769885.db2.gz ZZZVZWAMNOQHON-OAHLLOKOSA-N -1 3 370.287 3.145 20 0 FGADHM O=S(=O)([N-][C@@H]1C=CCCC1)c1ccc(Br)cc1Cl ZINC000467123886 502794802 /nfs/dbraw/zinc/79/48/02/502794802.db2.gz DIKHMGKHKMVUFR-SNVBAGLBSA-N -1 3 350.665 3.490 20 0 FGADHM COc1ccc(Cn2ccnc2SCC(=O)Nc2ccccc2[O-])cc1 ZINC000488730205 502794791 /nfs/dbraw/zinc/79/47/91/502794791.db2.gz ZPJIFKSTQAWDOT-UHFFFAOYSA-N -1 3 369.446 3.376 20 0 FGADHM O=S(=O)([N-][C@@H]1C=CCCC1)c1cc(Br)ccc1Cl ZINC000467124951 502794971 /nfs/dbraw/zinc/79/49/71/502794971.db2.gz KGYYKSZUUOWQOF-SNVBAGLBSA-N -1 3 350.665 3.490 20 0 FGADHM C[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Cl)s2)CN1Cc1ccccc1 ZINC000467130297 502795559 /nfs/dbraw/zinc/79/55/59/502795559.db2.gz GGTHCVORHBAJOD-JSGCOSHPSA-N -1 3 370.927 3.343 20 0 FGADHM Cc1ccc(C(F)(F)F)cc1NC(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000481247235 502796427 /nfs/dbraw/zinc/79/64/27/502796427.db2.gz QWFUJWNNCULJOM-UHFFFAOYSA-N -1 3 367.253 3.472 20 0 FGADHM Cc1ccc(C(F)(F)F)cc1NC(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000481247235 502796433 /nfs/dbraw/zinc/79/64/33/502796433.db2.gz QWFUJWNNCULJOM-UHFFFAOYSA-N -1 3 367.253 3.472 20 0 FGADHM Cc1ccc(C(F)(F)F)cc1NC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000481247235 502796437 /nfs/dbraw/zinc/79/64/37/502796437.db2.gz QWFUJWNNCULJOM-UHFFFAOYSA-N -1 3 367.253 3.472 20 0 FGADHM COc1ccc(Br)c(S(=O)(=O)[N-][C@@H]2CCC[C@@H](C)C2)c1 ZINC000474072609 502798662 /nfs/dbraw/zinc/79/86/62/502798662.db2.gz LBTMYIIXLVSDLM-GHMZBOCLSA-N -1 3 362.289 3.315 20 0 FGADHM O=S(=O)([N-][C@H]1COc2ccccc21)c1cc(C(F)(F)F)ccc1F ZINC000488756065 502803289 /nfs/dbraw/zinc/80/32/89/502803289.db2.gz BZWQKGDSJQEYRY-LBPRGKRZSA-N -1 3 361.316 3.257 20 0 FGADHM COc1ccccc1C(C)(C)[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000488758764 502804210 /nfs/dbraw/zinc/80/42/10/502804210.db2.gz KXUQNELKSUAMJE-UHFFFAOYSA-N -1 3 359.369 3.326 20 0 FGADHM CCCC(C)(C)[N-]S(=O)(=O)c1cc(OC)ccc1Br ZINC000474089978 502805598 /nfs/dbraw/zinc/80/55/98/502805598.db2.gz QFNIQSXWWJAGOZ-UHFFFAOYSA-N -1 3 350.278 3.315 20 0 FGADHM COc1ccc(Br)c(S(=O)(=O)[N-]CC2(C)CCCC2)c1 ZINC000474129103 502813582 /nfs/dbraw/zinc/81/35/82/502813582.db2.gz NEGIYMVJGIEVQD-UHFFFAOYSA-N -1 3 362.289 3.316 20 0 FGADHM CCn1cnc(S(=O)(=O)[N-]CC2(c3cccs3)CCCCC2)c1 ZINC000474129269 502813671 /nfs/dbraw/zinc/81/36/71/502813671.db2.gz OSLSJQGDICGOQR-UHFFFAOYSA-N -1 3 353.513 3.145 20 0 FGADHM CNc1snc(C)c1C(=O)Nc1nnc(-c2cc3ccccc3o2)[n-]1 ZINC000485112427 502816114 /nfs/dbraw/zinc/81/61/14/502816114.db2.gz HCMGOBLJODCUQN-UHFFFAOYSA-N -1 3 354.395 3.277 20 0 FGADHM CNc1snc(C)c1C(=O)Nc1nc(-c2cc3ccccc3o2)n[n-]1 ZINC000485112427 502816116 /nfs/dbraw/zinc/81/61/16/502816116.db2.gz HCMGOBLJODCUQN-UHFFFAOYSA-N -1 3 354.395 3.277 20 0 FGADHM CNc1snc(C)c1C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000485112427 502816118 /nfs/dbraw/zinc/81/61/18/502816118.db2.gz HCMGOBLJODCUQN-UHFFFAOYSA-N -1 3 354.395 3.277 20 0 FGADHM Cc1nn(C)c2ncc(C(=O)Nc3nnc(-c4cc5ccccc5o4)[n-]3)cc12 ZINC000485113322 502816433 /nfs/dbraw/zinc/81/64/33/502816433.db2.gz KSDGVMMYMQLOPB-UHFFFAOYSA-N -1 3 373.376 3.060 20 0 FGADHM Cc1nn(C)c2ncc(C(=O)Nc3nc(-c4cc5ccccc5o4)n[n-]3)cc12 ZINC000485113322 502816435 /nfs/dbraw/zinc/81/64/35/502816435.db2.gz KSDGVMMYMQLOPB-UHFFFAOYSA-N -1 3 373.376 3.060 20 0 FGADHM Cc1nn(C)c2ncc(C(=O)Nc3n[n-]c(-c4cc5ccccc5o4)n3)cc12 ZINC000485113322 502816437 /nfs/dbraw/zinc/81/64/37/502816437.db2.gz KSDGVMMYMQLOPB-UHFFFAOYSA-N -1 3 373.376 3.060 20 0 FGADHM CO[C@@H](C)CS(=O)(=O)[N-]c1ccc(F)c(NC(=O)C2CCCCC2)c1 ZINC000509102937 502821560 /nfs/dbraw/zinc/82/15/60/502821560.db2.gz LFSHZHRLSMZXST-LBPRGKRZSA-N -1 3 372.462 3.121 20 0 FGADHM Cc1c(F)cccc1NC(=O)CCSc1n[n-]c(-c2ccccn2)n1 ZINC000488858968 502826511 /nfs/dbraw/zinc/82/65/11/502826511.db2.gz RSJQPPVRURLHFU-UHFFFAOYSA-N -1 3 357.414 3.435 20 0 FGADHM C[C@H](c1ccccc1)N(C)C(=O)CN(C)C(=O)c1cc([O-])ccc1Cl ZINC000512996020 502828250 /nfs/dbraw/zinc/82/82/50/502828250.db2.gz JGWUHHODUGTTDL-CYBMUJFWSA-N -1 3 360.841 3.337 20 0 FGADHM COC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1CCCC[C@@H]1CC(C)C ZINC000500657557 502833443 /nfs/dbraw/zinc/83/34/43/502833443.db2.gz OGJKTIDABUVRDT-CYBMUJFWSA-N -1 3 366.483 3.209 20 0 FGADHM COc1ccc(CC[N-]S(=O)(=O)c2cc(F)ccc2Cl)cc1OC ZINC000488936306 502842164 /nfs/dbraw/zinc/84/21/64/502842164.db2.gz CKCBWHUVUROKIM-UHFFFAOYSA-N -1 3 373.833 3.017 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Br)c1ccon1 ZINC000509196895 502845442 /nfs/dbraw/zinc/84/54/42/502845442.db2.gz OLLQDTFIWFKRNR-ZETCQYMHSA-N -1 3 365.636 3.130 20 0 FGADHM O=S(=O)([N-]Cc1ccccc1-n1ccnc1)c1cc(F)ccc1Cl ZINC000488967761 502849978 /nfs/dbraw/zinc/84/99/78/502849978.db2.gz IDRDUROLJCNDKD-UHFFFAOYSA-N -1 3 365.817 3.143 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)Cc3c(C)cccc3Cl)[n-]c21 ZINC000489035459 502865630 /nfs/dbraw/zinc/86/56/30/502865630.db2.gz DOUVOZTZJYJSPB-UHFFFAOYSA-N -1 3 357.797 3.493 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)Cc3c(C)cccc3Cl)nc21 ZINC000489035459 502865636 /nfs/dbraw/zinc/86/56/36/502865636.db2.gz DOUVOZTZJYJSPB-UHFFFAOYSA-N -1 3 357.797 3.493 20 0 FGADHM COc1ccc(CN(C)C(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)cc1C ZINC000496070822 502872154 /nfs/dbraw/zinc/87/21/54/502872154.db2.gz KLSYCZQRXRNSNF-UHFFFAOYSA-N -1 3 372.371 3.396 20 0 FGADHM C[C@@H]1CN(c2cccc(F)c2)CCN1C(=O)NCc1ccc([O-])c(F)c1 ZINC000489157116 502890032 /nfs/dbraw/zinc/89/00/32/502890032.db2.gz DGKNKTBNAKVEEC-CYBMUJFWSA-N -1 3 361.392 3.091 20 0 FGADHM CCc1[nH]ccc1C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000513281854 502895025 /nfs/dbraw/zinc/89/50/25/502895025.db2.gz UVOUEKRAAUMEHR-UHFFFAOYSA-N -1 3 367.446 3.045 20 0 FGADHM O=C(N[C@H]1CCN(C(=O)Nc2ccccc2)C1)c1cc([O-])ccc1Cl ZINC000513344553 502910423 /nfs/dbraw/zinc/91/04/23/502910423.db2.gz ZZWNZDRRAVJEBL-ZDUSSCGKSA-N -1 3 359.813 3.082 20 0 FGADHM CC[C@H](C)N(C)CC[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000509487926 502915794 /nfs/dbraw/zinc/91/57/94/502915794.db2.gz JRWWKOYKGRPJEA-JTQLQIEISA-N -1 3 372.840 3.367 20 0 FGADHM Cc1nc(C)c(CC(=O)N[C@@H]2C[C@H]2c2ccccc2C(F)(F)F)c(=O)[n-]1 ZINC000505536444 502929827 /nfs/dbraw/zinc/92/98/27/502929827.db2.gz PLKIMFFPDDTPIR-DZGCQCFKSA-N -1 3 365.355 3.033 20 0 FGADHM Cc1cc(CN(C)C)cc(NC(=O)c2nn(-c3ccc(F)cc3)cc2[O-])c1 ZINC000497435987 502958915 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503492119 /nfs/dbraw/zinc/49/21/19/503492119.db2.gz WJCNAJWSZPJTSB-CQSZACIVSA-N -1 3 352.394 3.179 20 0 FGADHM CC[C@@H](Nc1ccccc1)C(=O)Nc1nc2c(cccc2C(=O)OC)[n-]1 ZINC000494128231 503492122 /nfs/dbraw/zinc/49/21/22/503492122.db2.gz WJCNAJWSZPJTSB-CQSZACIVSA-N -1 3 352.394 3.179 20 0 FGADHM COc1cc(C(=O)N=c2cc(-c3cccnc3)[n-][nH]2)cc(OC)c1C(C)C ZINC000512302054 503514491 /nfs/dbraw/zinc/51/44/91/503514491.db2.gz LQJNRVZBKXTMPZ-UHFFFAOYSA-N -1 3 366.421 3.287 20 0 FGADHM Cc1cc([N-]C(=O)[C@@H](C)N(C)Cc2ccc(Br)c(F)c2)on1 ZINC000494263039 503514937 /nfs/dbraw/zinc/51/49/37/503514937.db2.gz UUDCDXHVYHLAAP-SNVBAGLBSA-N -1 3 370.222 3.344 20 0 FGADHM COc1ccc2c(c1)C[C@H](C(=O)N=c1cc(-c3ccccc3C)[n-][nH]1)CO2 ZINC000512351778 503526930 /nfs/dbraw/zinc/52/69/30/503526930.db2.gz DEDMKPHJRIMBLX-HNNXBMFYSA-N -1 3 363.417 3.005 20 0 FGADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@@H](C)CCCC(F)(F)F ZINC000494342631 503528269 /nfs/dbraw/zinc/52/82/69/503528269.db2.gz YRACZDKWMOLZAW-VIFPVBQESA-N -1 3 371.352 3.012 20 0 FGADHM C[C@@]1(C[N-]S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)CCOC1 ZINC000500063207 503543741 /nfs/dbraw/zinc/54/37/41/503543741.db2.gz YGONZCDHPDUONL-HNNXBMFYSA-N -1 3 372.899 3.168 20 0 FGADHM O=C(c1c[n-]c2c(F)cc(F)cc2c1=O)N1CC[C@H]1Cc1ccccc1 ZINC000500070707 503545156 /nfs/dbraw/zinc/54/51/56/503545156.db2.gz ASHKDJPYALXKRV-AWEZNQCLSA-N -1 3 354.356 3.264 20 0 FGADHM O=S(=O)([N-]C[C@@H]1CCCCO1)c1cc(Cl)ccc1C(F)(F)F ZINC000508842362 503574585 /nfs/dbraw/zinc/57/45/85/503574585.db2.gz OSTUAABAXCGCQP-JTQLQIEISA-N -1 3 357.781 3.206 20 0 FGADHM CCc1[n-][nH]c(=NC(=O)c2ccccc2C(=O)c2ccc(OC)cc2)c1C ZINC000512528911 503577251 /nfs/dbraw/zinc/57/72/51/503577251.db2.gz MLVINIQYLQYLIJ-UHFFFAOYSA-N -1 3 363.417 3.194 20 0 FGADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N1CCC[C@@H]1/C=C/c1ccccc1 ZINC000504522101 503583124 /nfs/dbraw/zinc/58/31/24/503583124.db2.gz RIKJXLPYWLLKIA-XAVKZTDYSA-N -1 3 361.401 3.280 20 0 FGADHM CC(C)n1c2ccccc2nc1[C@@H](C)NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000516783277 503586640 /nfs/dbraw/zinc/58/66/40/503586640.db2.gz CYDOKQDNQREADY-GFCCVEGCSA-N -1 3 365.437 3.481 20 0 FGADHM O=C([O-])[C@@H]1CCO[C@H]1C1CCN(Cc2ccccc2C(F)(F)F)CC1 ZINC000516872844 503605243 /nfs/dbraw/zinc/60/52/43/503605243.db2.gz RBPUNGFDJJEOFN-ZBFHGGJFSA-N -1 3 357.372 3.407 20 0 FGADHM COc1cc(=NC(=O)N2CCC(C)(c3cccc(Cl)c3)CC2)[n-]n1C ZINC000516904147 503613605 /nfs/dbraw/zinc/61/36/05/503613605.db2.gz KMGSZKKKRALZGL-UHFFFAOYSA-N -1 3 362.861 3.090 20 0 FGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)c2ccccc2)c(Cl)c1 ZINC000500421387 503620911 /nfs/dbraw/zinc/62/09/11/503620911.db2.gz NEJWIZSJLLJXCL-LLVKDONJSA-N -1 3 353.827 3.166 20 0 FGADHM CC(C)(C)c1nnsc1C(=O)[N-]c1nc(C2CCOCC2)cs1 ZINC000516932114 503622898 /nfs/dbraw/zinc/62/28/98/503622898.db2.gz BSGGOXGLJIXKTE-UHFFFAOYSA-N -1 3 352.485 3.438 20 0 FGADHM O=S(=O)([N-]Cc1cccnc1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000500442589 503626149 /nfs/dbraw/zinc/62/61/49/503626149.db2.gz VGXOWUXKJZTUPE-UHFFFAOYSA-N -1 3 365.867 3.337 20 0 FGADHM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-][C@@H]2CCN(C)[C@H](C)C2)c1Cl ZINC000608030554 506382878 /nfs/dbraw/zinc/38/28/78/506382878.db2.gz ZLRHFGDMBJXWCO-ZYHUDNBSSA-N -1 3 365.326 3.371 20 0 FGADHM O=C1CN(Cc2c(F)ccc([O-])c2F)CCN1Cc1cccc(Cl)c1 ZINC000509057415 503631567 /nfs/dbraw/zinc/63/15/67/503631567.db2.gz RLSRFVDSSBZQSG-UHFFFAOYSA-N -1 3 366.795 3.168 20 0 FGADHM CC(C)(C)C[C@H](NC(=O)CNC(=O)c1cccc([O-])c1)c1ccccc1 ZINC000494999431 503647254 /nfs/dbraw/zinc/64/72/54/503647254.db2.gz OINIWLHWGTVOIZ-SFHVURJKSA-N -1 3 354.450 3.416 20 0 FGADHM C[C@H]([N-]S(=O)(=O)Cc1noc2ccccc21)c1c(F)cccc1F ZINC000546173227 503655588 /nfs/dbraw/zinc/65/55/88/503655588.db2.gz PDVMGQKFHNDEFO-JTQLQIEISA-N -1 3 352.362 3.287 20 0 FGADHM C[C@@H]1OCC[C@@]1(C)[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000543169479 503656562 /nfs/dbraw/zinc/65/65/62/503656562.db2.gz QDOLHQIYELOCBU-ZUZCIYMTSA-N -1 3 372.899 3.309 20 0 FGADHM O=S(=O)([N-][C@H](c1ccccc1)[C@@H]1CCOC1)c1ccc(F)c(F)c1 ZINC000540069707 503661698 /nfs/dbraw/zinc/66/16/98/503661698.db2.gz VMXOLVXGUXVRLN-CXAGYDPISA-N -1 3 353.390 3.021 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]C[C@@H](c2ccco2)N2CCCCC2)c(F)c1 ZINC000517084044 503663283 /nfs/dbraw/zinc/66/32/83/503663283.db2.gz GGMCZJJIWJFSKC-INIZCTEOSA-N -1 3 366.458 3.233 20 0 FGADHM COc1ccccc1CC(C)(C)[N-]S(=O)(=O)c1cc(C)ccc1F ZINC000517087668 503664525 /nfs/dbraw/zinc/66/45/25/503664525.db2.gz KONUMIOPKSHPGV-UHFFFAOYSA-N -1 3 351.443 3.442 20 0 FGADHM O=C(CNC(=O)c1cccc([O-])c1)N1CCCCC[C@@H]1c1ccccc1 ZINC000495113200 503672842 /nfs/dbraw/zinc/67/28/42/503672842.db2.gz XOMMBHGKNSLMSO-LJQANCHMSA-N -1 3 352.434 3.266 20 0 FGADHM O=C(CCn1c2ccccc2nc1C1CC1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000536690398 503683352 /nfs/dbraw/zinc/68/33/52/503683352.db2.gz OIEGEAQCGHFXSL-UHFFFAOYSA-N -1 3 373.420 3.123 20 0 FGADHM O=C(CCn1c2ccccc2nc1C1CC1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000536690398 503683359 /nfs/dbraw/zinc/68/33/59/503683359.db2.gz OIEGEAQCGHFXSL-UHFFFAOYSA-N -1 3 373.420 3.123 20 0 FGADHM CCOC(=O)c1sc2[n-]c([C@H](C)N(C)CC3CCC3)nc(=O)c2c1C ZINC000532982194 503687286 /nfs/dbraw/zinc/68/72/86/503687286.db2.gz QZNAHAOWOPGFBR-NSHDSACASA-N -1 3 363.483 3.263 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@@H]3CO[C@H](C)C3)cc2)cc1 ZINC000527126855 503690160 /nfs/dbraw/zinc/69/01/60/503690160.db2.gz KDRFTECIPUPLJS-CABCVRRESA-N -1 3 374.462 3.159 20 0 FGADHM COc1cc(CNCc2cnc(C)[n-]c2=O)ccc1OCc1cccs1 ZINC000543239416 503693205 /nfs/dbraw/zinc/69/32/05/503693205.db2.gz RXYGVLCEUQBSNY-UHFFFAOYSA-N -1 3 371.462 3.430 20 0 FGADHM O=C(Nc1cc([C@H]2CCCOC2)[nH]n1)c1c[n-]nc1-c1ccc(Cl)cc1 ZINC000527185121 503709976 /nfs/dbraw/zinc/70/99/76/503709976.db2.gz WODIEANZVXHBKK-LBPRGKRZSA-N -1 3 371.828 3.021 20 0 FGADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)cc1CO ZINC000540216648 503714059 /nfs/dbraw/zinc/71/40/59/503714059.db2.gz AZTNCZNLMMQSLK-UHFFFAOYSA-N -1 3 365.451 3.166 20 0 FGADHM Cc1ncc(CNC(=O)Nc2ccc(Cl)cc2-n2cccc2)c(=O)[n-]1 ZINC000543305551 503718667 /nfs/dbraw/zinc/71/86/67/503718667.db2.gz PZDVWKOTTVRBOI-UHFFFAOYSA-N -1 3 357.801 3.256 20 0 FGADHM CCc1ccc(-c2csc([N-]C(=O)c3c(OC)ncnc3OC)n2)cc1 ZINC000517343896 503720235 /nfs/dbraw/zinc/72/02/35/503720235.db2.gz QINBEGXWNDYMCM-UHFFFAOYSA-N -1 3 370.434 3.432 20 0 FGADHM C[C@@H]1CCC[C@@H](c2noc(-c3cnc4c(c3)c(=O)[n-]c(=O)n4C3CC3)n2)C1 ZINC000546352531 503721109 /nfs/dbraw/zinc/72/11/09/503721109.db2.gz PDSHCQADKFZFFS-GHMZBOCLSA-N -1 3 367.409 3.176 20 0 FGADHM Cc1ncc(CNC(=O)C[C@@H](C)c2cccc(C(F)(F)F)c2)c(=O)[n-]1 ZINC000543317447 503722623 /nfs/dbraw/zinc/72/26/23/503722623.db2.gz UXKPQYKZRXBWMZ-SNVBAGLBSA-N -1 3 353.344 3.319 20 0 FGADHM CCn1c2ccc(F)cc2nc1NC(=O)c1cn[n-]c1-c1ccncc1 ZINC000543318727 503723500 /nfs/dbraw/zinc/72/35/00/503723500.db2.gz WLTZHDCFPFOEHA-UHFFFAOYSA-N -1 3 350.357 3.233 20 0 FGADHM CCn1c2ccc(F)cc2nc1NC(=O)c1c[n-]nc1-c1ccncc1 ZINC000543318727 503723505 /nfs/dbraw/zinc/72/35/05/503723505.db2.gz WLTZHDCFPFOEHA-UHFFFAOYSA-N -1 3 350.357 3.233 20 0 FGADHM COc1c(Cl)cc(NC(=O)NCc2cnc(C)[n-]c2=O)cc1Cl ZINC000543334214 503728078 /nfs/dbraw/zinc/72/80/78/503728078.db2.gz XVBNQKYLIPVKJJ-UHFFFAOYSA-N -1 3 357.197 3.128 20 0 FGADHM O=S(=O)([N-][C@H]1CCO[C@@H]1c1ccc(Cl)cc1)c1cncc(Cl)c1 ZINC000540321470 503736035 /nfs/dbraw/zinc/73/60/35/503736035.db2.gz SNMDZEIKQMRABB-LSDHHAIUSA-N -1 3 373.261 3.197 20 0 FGADHM Cc1cccc(-c2ccc(CNC(=O)c3ccc4c(c3)C(=O)[N-]C4=O)cc2)c1 ZINC000517438670 503746092 /nfs/dbraw/zinc/74/60/92/503746092.db2.gz JKEYBYOPAKSDDV-UHFFFAOYSA-N -1 3 370.408 3.476 20 0 FGADHM COc1ccc2c(c1)[n-]cc(C(=O)N1CC[C@H](c3ccc(C)cc3)C1)c2=O ZINC000543385202 503747332 /nfs/dbraw/zinc/74/73/32/503747332.db2.gz PZHHXRVLOJBVRR-INIZCTEOSA-N -1 3 362.429 3.475 20 0 FGADHM CCOC[C@@H]1CN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])CCO1 ZINC000529898332 503748475 /nfs/dbraw/zinc/74/84/75/503748475.db2.gz PXJWXUVLKWKFKU-IBGZPJMESA-N -1 3 369.461 3.055 20 0 FGADHM COc1cccc(-c2nc(-c3cccc(CN4CCCC4=O)c3)no2)c1[O-] ZINC000546443309 503750005 /nfs/dbraw/zinc/75/00/05/503750005.db2.gz ICZMIKJQKCBOLA-UHFFFAOYSA-N -1 3 365.389 3.240 20 0 FGADHM CC[C@@H](C)Oc1cc(-c2noc(Cc3c(C)nc(C)[n-]c3=O)n2)ccn1 ZINC000546488934 503764878 /nfs/dbraw/zinc/76/48/78/503764878.db2.gz YXLPVVKJCNACOS-SNVBAGLBSA-N -1 3 355.398 3.012 20 0 FGADHM COc1ccc([C@@H](C)NCc2cnc(C)[n-]c2=O)c(Br)c1 ZINC000543426564 503765022 /nfs/dbraw/zinc/76/50/22/503765022.db2.gz UYWIMHCACCSXRC-SECBINFHSA-N -1 3 352.232 3.113 20 0 FGADHM Cc1ccccc1-c1cc(=NC(=O)[C@@H](CC(C)C)N2CCCCC2=O)[nH][n-]1 ZINC000540422080 503766650 /nfs/dbraw/zinc/76/66/50/503766650.db2.gz MDUQJDUMYIQFBU-GOSISDBHSA-N -1 3 368.481 3.173 20 0 FGADHM CCOc1ccc(-c2nc(CN3C[C@@H]4CCC[C@@H]4[C@H]3C(=O)[O-])co2)cc1 ZINC000517575787 503776317 /nfs/dbraw/zinc/77/63/17/503776317.db2.gz LRTFLRSZBVQJAZ-WBAXXEDZSA-N -1 3 356.422 3.425 20 0 FGADHM FC(F)COc1cccc(-c2noc(-c3cc(-c4ccco4)n[n-]3)n2)n1 ZINC000546552655 503784693 /nfs/dbraw/zinc/78/46/93/503784693.db2.gz BMUVWSHNEMPUJS-UHFFFAOYSA-N -1 3 359.292 3.426 20 0 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COc1c(Cl)cc(Cl)cc1CNc1ccc2c(c1)C(=O)[N-]C2=O ZINC000561284173 505304316 /nfs/dbraw/zinc/30/43/16/505304316.db2.gz BXWNNMDNJZKYPK-UHFFFAOYSA-N -1 3 351.189 3.498 20 0 FGADHM CC(=O)N1CCCC[C@H]1C(=O)Nc1cc(Cc2ccccc2)ccc1[O-] ZINC000561322619 505314263 /nfs/dbraw/zinc/31/42/63/505314263.db2.gz ZJBAAABQCGSSBK-IBGZPJMESA-N -1 3 352.434 3.323 20 0 FGADHM C[C@@H]1Oc2ccccc2[C@H]1[N-]S(=O)(=O)c1ccccc1OC(F)F ZINC000564090324 505323489 /nfs/dbraw/zinc/32/34/89/505323489.db2.gz KUVYVWGKODGREH-BONVTDFDSA-N -1 3 355.362 3.089 20 0 FGADHM Cc1cccc(F)c1S(=O)(=O)[N-]Cc1ccc2c(c1)nc(C1CC1)n2C ZINC000564122209 505331264 /nfs/dbraw/zinc/33/12/64/505331264.db2.gz OKCMFFKAFQSPEW-UHFFFAOYSA-N -1 3 373.453 3.377 20 0 FGADHM CC(=O)c1cccc(NC(=O)[C@H](C)NC(=O)c2ccc(Cl)cc2)c1[O-] ZINC000564129821 505332911 /nfs/dbraw/zinc/33/29/11/505332911.db2.gz PBJCPPGPUSSUFZ-JTQLQIEISA-N -1 3 360.797 3.005 20 0 FGADHM O=c1nc(CN2CC[C@H](OC(F)F)C2)[n-]c2scc(-c3ccco3)c21 ZINC000555074164 505341598 /nfs/dbraw/zinc/34/15/98/505341598.db2.gz YIEOREFHJWOOGO-VIFPVBQESA-N -1 3 367.377 3.470 20 0 FGADHM CCN1CCCC[C@@H]1C[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000558245734 505342717 /nfs/dbraw/zinc/34/27/17/505342717.db2.gz LYWIFIWBJQWGFR-SECBINFHSA-N -1 3 357.328 3.208 20 0 FGADHM C[C@H](NC(=O)c1c[n-]nc1-c1ccccn1)c1ccc(Br)cn1 ZINC000555091492 505347291 /nfs/dbraw/zinc/34/72/91/505347291.db2.gz DGNMTSSYHLMFED-JTQLQIEISA-N -1 3 372.226 3.120 20 0 FGADHM C[C@H](NC(=O)c1cn[n-]c1-c1ccccn1)c1ccc(Br)cn1 ZINC000555091492 505347293 /nfs/dbraw/zinc/34/72/93/505347293.db2.gz DGNMTSSYHLMFED-JTQLQIEISA-N -1 3 372.226 3.120 20 0 FGADHM C[C@H](NC(=O)N=c1[n-]nc(-c2ccco2)s1)[C@@H](c1ccccc1)N(C)C ZINC000558299387 505356371 /nfs/dbraw/zinc/35/63/71/505356371.db2.gz KGEVUPVIFUCPRQ-WFASDCNBSA-N -1 3 371.466 3.033 20 0 FGADHM Cc1ccc(C(=O)c2oc3ccccc3c2[N-]C(=O)c2cn(C)nn2)cc1 ZINC000567080619 505357993 /nfs/dbraw/zinc/35/79/93/505357993.db2.gz SPSCDNCVZIYLQQ-UHFFFAOYSA-N -1 3 360.373 3.353 20 0 FGADHM CCC[C@](C)(CC)c1nc(-c2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)no1 ZINC000558336369 505362943 /nfs/dbraw/zinc/36/29/43/505362943.db2.gz XXWLMVCWXXPMBI-RBUKOAKNSA-N -1 3 356.426 3.259 20 0 FGADHM CCCCS(=O)(=O)[N-]Cc1nc([C@H](c2ccccc2C)C(C)C)no1 ZINC000564292275 505373853 /nfs/dbraw/zinc/37/38/53/505373853.db2.gz MTRFBFFSXJKNJU-KRWDZBQOSA-N -1 3 365.499 3.385 20 0 FGADHM Cc1cccc(F)c1S(=O)(=O)[N-][C@@H](C)c1nccn1-c1ccccc1 ZINC000561564389 505379017 /nfs/dbraw/zinc/37/90/17/505379017.db2.gz PHLYCNHKXHIWJJ-AWEZNQCLSA-N -1 3 359.426 3.359 20 0 FGADHM COc1ccccc1OCCN(CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000567173266 505384180 /nfs/dbraw/zinc/38/41/80/505384180.db2.gz TYBYVZQMYVQXGZ-UHFFFAOYSA-N -1 3 365.376 3.329 20 0 FGADHM CS(=O)(=O)Nc1cccc(NCc2cc([O-])cc(C(F)(F)F)c2)c1 ZINC000558485201 505405816 /nfs/dbraw/zinc/40/58/16/505405816.db2.gz PZPXWSPXGXHXOH-UHFFFAOYSA-N -1 3 360.357 3.395 20 0 FGADHM CCc1cc(=O)[n-]c(CN2CCC(c3noc4cc(F)ccc43)CC2)n1 ZINC000564394403 505405959 /nfs/dbraw/zinc/40/59/59/505405959.db2.gz WJSDPQNLEKCUAW-UHFFFAOYSA-N -1 3 356.401 3.405 20 0 FGADHM Cc1c([N-]C(=O)c2ncccc2S(C)(=O)=O)onc1C1CCCCC1 ZINC000567244571 505406887 /nfs/dbraw/zinc/40/68/87/505406887.db2.gz ZROAPMHILMOUBY-UHFFFAOYSA-N -1 3 363.439 3.082 20 0 FGADHM CCCN(C(=O)c1cc(=O)[n-]c(C2CC2)n1)[C@@H]1CCCc2cccnc21 ZINC000567247254 505407797 /nfs/dbraw/zinc/40/77/97/505407797.db2.gz BKLOSPWINBEMJV-MRXNPFEDSA-N -1 3 352.438 3.384 20 0 FGADHM CC[C@H](C)[C@H](NC(C)=O)C(=O)Nc1cc(Cc2ccccc2)ccc1[O-] ZINC000552134932 505411867 /nfs/dbraw/zinc/41/18/67/505411867.db2.gz MUSWDQPJAYYJAI-XOBRGWDASA-N -1 3 354.450 3.472 20 0 FGADHM CCc1noc(C)c1C[N-]S(=O)(=O)c1ccc(C(F)(F)F)c(F)c1 ZINC000555376675 505421067 /nfs/dbraw/zinc/42/10/67/505421067.db2.gz COEKAWZVXCWTTQ-UHFFFAOYSA-N -1 3 366.336 3.182 20 0 FGADHM CC(C)Sc1ccccc1C(=O)N=c1[n-]n(C)cc1Br ZINC000564452592 505423858 /nfs/dbraw/zinc/42/38/58/505423858.db2.gz CGQDZGUMXQINCR-UHFFFAOYSA-N -1 3 354.273 3.357 20 0 FGADHM O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2CN1Cc1nc2cc(Br)ccc2[nH]1 ZINC000564460289 505426124 /nfs/dbraw/zinc/42/61/24/505426124.db2.gz CRQXQOXONSRYLU-VPJDZLOFSA-N -1 3 364.243 3.011 20 0 FGADHM O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2CN1Cc1nc2ccc(Br)cc2[nH]1 ZINC000564460289 505426127 /nfs/dbraw/zinc/42/61/27/505426127.db2.gz CRQXQOXONSRYLU-VPJDZLOFSA-N -1 3 364.243 3.011 20 0 FGADHM O=c1ccc([N-]S(=O)(=O)c2ccc(Br)c(Cl)c2)c[nH]1 ZINC000567319043 505426696 /nfs/dbraw/zinc/42/66/96/505426696.db2.gz IUUDSWXSTPCBON-UHFFFAOYSA-N -1 3 363.620 3.004 20 0 FGADHM CCOC1(C[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)CCCC1 ZINC000555413845 505427118 /nfs/dbraw/zinc/42/71/18/505427118.db2.gz LQSVCQPTUFMSHN-UHFFFAOYSA-N -1 3 369.380 3.472 20 0 FGADHM COc1cc(C(=O)Nc2nc(C)ccc2[O-])cc(Br)c1OC ZINC000552216682 505430997 /nfs/dbraw/zinc/43/09/97/505430997.db2.gz YFDXOTCYYMUKHN-UHFFFAOYSA-N -1 3 367.199 3.128 20 0 FGADHM C[C@H]1C[C@@H]1N1CCN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)C[C@@H](C)C1 ZINC000561762966 505431180 /nfs/dbraw/zinc/43/11/80/505431180.db2.gz RXTYHXIJWCCLCR-DCGLDWPTSA-N -1 3 373.884 3.396 20 0 FGADHM O=C(Nc1ccc(Br)cc1[O-])c1nc2cccnc2s1 ZINC000558714728 505471835 /nfs/dbraw/zinc/47/18/35/505471835.db2.gz QQBDSVZNBIPXIQ-UHFFFAOYSA-N -1 3 350.197 3.412 20 0 FGADHM O=S(=O)([N-][C@H]1CCO[C@H]1c1ccccc1)c1cc(F)cc(Cl)c1 ZINC000555610468 505473952 /nfs/dbraw/zinc/47/39/52/505473952.db2.gz AHYOZRNJRDNSRH-HOTGVXAUSA-N -1 3 355.818 3.288 20 0 FGADHM CC[C@H](C)N(CC(=O)OC)C(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000561947216 505474956 /nfs/dbraw/zinc/47/49/56/505474956.db2.gz QXVNHOSONNUHKS-AWEZNQCLSA-N -1 3 369.417 3.037 20 0 FGADHM Cc1nc(C)c(CC(=O)N2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)c(=O)[n-]1 ZINC000558731048 505476174 /nfs/dbraw/zinc/47/61/74/505476174.db2.gz WIBWAOPBBIVWPG-BCDXTJNWSA-N -1 3 351.450 3.279 20 0 FGADHM CCc1cccc(C(=O)N2CCC=C(c3cn(C(C)C)nn3)CC2)c1[O-] ZINC000564669037 505487433 /nfs/dbraw/zinc/48/74/33/505487433.db2.gz ZPCCZUJTCOPOET-UHFFFAOYSA-N -1 3 354.454 3.447 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)N[C@@H]1CCO[C@@H](c2cccs2)C1 ZINC000567562627 505498760 /nfs/dbraw/zinc/49/87/60/505498760.db2.gz IWMCPAVFWUYKCJ-IUODEOHRSA-N -1 3 350.415 3.312 20 0 FGADHM C[C@@H](c1ccc(F)cc1)N1CCC[C@H](NC(=O)c2cc([O-])ccc2F)C1=O ZINC000567573186 505502517 /nfs/dbraw/zinc/50/25/17/505502517.db2.gz SQXSMYHNEQYIRF-SGTLLEGYSA-N -1 3 374.387 3.152 20 0 FGADHM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1ccn(CCc2ccccc2)n1 ZINC000564803417 505524473 /nfs/dbraw/zinc/52/44/73/505524473.db2.gz QKIIRJMBLPIECI-SXLOBPIMSA-N -1 3 353.466 3.344 20 0 FGADHM Cc1c2ccccc2oc1[C@@H](C)NC(=O)CNC(=O)c1ccc([O-])cc1 ZINC000564809443 505526066 /nfs/dbraw/zinc/52/60/66/505526066.db2.gz PPQHDUTVVPETCM-CYBMUJFWSA-N -1 3 352.390 3.054 20 0 FGADHM Cc1cc([N-]C(=O)[C@@H](C)N2CCCc3c([nH]c4c3cccc4F)C2)on1 ZINC000555911111 505537964 /nfs/dbraw/zinc/53/79/64/505537964.db2.gz HEMVSZCWZFCCQX-GFCCVEGCSA-N -1 3 356.401 3.379 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCC(C)(C)C2CCC2)c1 ZINC000567696624 505540260 /nfs/dbraw/zinc/54/02/60/505540260.db2.gz WYGAKWYNLBZMHJ-UHFFFAOYSA-N -1 3 371.437 3.497 20 0 FGADHM Cn1cc(-c2cc(F)ccc2[N-]S(=O)(=O)CCc2cccs2)cn1 ZINC000562227748 505544858 /nfs/dbraw/zinc/54/48/58/505544858.db2.gz CSAHVYAKYFNPTM-UHFFFAOYSA-N -1 3 365.455 3.272 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC[C@H]3[C@H]3CCCOC3)nc2)n1 ZINC000567729071 505550903 /nfs/dbraw/zinc/55/09/03/505550903.db2.gz KWCBLEPSAFTMMX-RDJZCZTQSA-N -1 3 354.454 3.202 20 0 FGADHM COC(=O)c1nc[n-]c1NC(=O)CCCCCO[C@@H]1CCC[C@@H](C)C1 ZINC000567748419 505555667 /nfs/dbraw/zinc/55/56/67/505555667.db2.gz UFWSWYSVMIJTOV-ZIAGYGMSSA-N -1 3 351.447 3.291 20 0 FGADHM COC(=O)c1[n-]cnc1NC(=O)CCCCCO[C@@H]1CCC[C@@H](C)C1 ZINC000567748419 505555669 /nfs/dbraw/zinc/55/56/69/505555669.db2.gz UFWSWYSVMIJTOV-ZIAGYGMSSA-N -1 3 351.447 3.291 20 0 FGADHM O=S(=O)([N-][C@H]1CCC[C@@H](F)C1)c1ccc(Br)c(F)c1 ZINC000567775455 505561747 /nfs/dbraw/zinc/56/17/47/505561747.db2.gz MDGLNUIBFKYGRW-BDAKNGLRSA-N -1 3 354.216 3.147 20 0 FGADHM C[C@@H]1CCN(CC(=O)N[C@H](c2ccccc2)C2CCCCC2)C[C@@H]1C(=O)[O-] ZINC000564968584 505564370 /nfs/dbraw/zinc/56/43/70/505564370.db2.gz YRLOOYBGQOJWBN-LKUPVBHCSA-N -1 3 372.509 3.467 20 0 FGADHM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-][C@H]2CCN(C)[C@@H](C)C2)c1Cl ZINC000608030552 506383915 /nfs/dbraw/zinc/38/39/15/506383915.db2.gz ZLRHFGDMBJXWCO-JQWIXIFHSA-N -1 3 365.326 3.371 20 0 FGADHM CC1(C)[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)[C@@H]2CCCO[C@@H]21 ZINC000608032800 506384882 /nfs/dbraw/zinc/38/48/82/506384882.db2.gz IOPILQHCJLQUEF-GDLCADMTSA-N -1 3 364.294 3.475 20 0 FGADHM CC[C@@H](C)C[C@@H](C)[N-]S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2 ZINC000608039141 506388922 /nfs/dbraw/zinc/38/89/22/506388922.db2.gz CYCYOEPWLPIPBL-GHMZBOCLSA-N -1 3 358.891 3.328 20 0 FGADHM COc1cccc(OC(F)(F)F)c1S(=O)(=O)[N-]CCSC(C)C ZINC000599309547 506406732 /nfs/dbraw/zinc/40/67/32/506406732.db2.gz ZITKKFLJPLNKEI-UHFFFAOYSA-N -1 3 373.418 3.014 20 0 FGADHM CN(Cc1cccc(OC(F)(F)F)c1)C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000582795151 506424589 /nfs/dbraw/zinc/42/45/89/506424589.db2.gz WKMYBDDOIMRAOG-UHFFFAOYSA-N -1 3 367.327 3.230 20 0 FGADHM O=C(c1cccc([O-])c1)N1CCN(C(=O)[C@H]2CC[C@H](C3CCC3)CC2)CC1 ZINC000612136441 506456040 /nfs/dbraw/zinc/45/60/40/506456040.db2.gz JVYNPDQUGNDUCJ-IYARVYRRSA-N -1 3 370.493 3.283 20 0 FGADHM Cc1nc(S(=O)(=O)[N-][C@@H](CC(C)(C)C)c2ccc(F)cc2)cn1C ZINC000589167500 506468411 /nfs/dbraw/zinc/46/84/11/506468411.db2.gz VPQMYFKDQYXKPD-HNNXBMFYSA-N -1 3 353.463 3.323 20 0 FGADHM CC[C@@H](C)N(C)CC[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000596615129 506490833 /nfs/dbraw/zinc/49/08/33/506490833.db2.gz MJNBCMNSBKRCME-LLVKDONJSA-N -1 3 353.315 3.310 20 0 FGADHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-][C@H]1CCCc2sccc21 ZINC000589228388 506491749 /nfs/dbraw/zinc/49/17/49/506491749.db2.gz KAPZWKDWRMVWDB-LBPRGKRZSA-N -1 3 369.464 3.100 20 0 FGADHM Cc1ncc(Cl)c(C(=O)N=c2cc(-c3cc(C)c(C)cc3C)[n-][nH]2)n1 ZINC000608355290 506522194 /nfs/dbraw/zinc/52/21/94/506522194.db2.gz XDJYKRNWFDVCBF-UHFFFAOYSA-N -1 3 355.829 3.428 20 0 FGADHM COc1ccccc1-c1cc(=NC(=O)[C@@H]2SCCc3ccccc32)[nH][n-]1 ZINC000608357949 506524188 /nfs/dbraw/zinc/52/41/88/506524188.db2.gz DIHMDWJUIXJPPZ-LJQANCHMSA-N -1 3 365.458 3.476 20 0 FGADHM O=S(=O)([N-]C[C@@H]1Cc2ccccc21)c1csc(-c2ccccc2)n1 ZINC000593307907 506529765 /nfs/dbraw/zinc/52/97/65/506529765.db2.gz YDDCHWSAFPCOMM-HNNXBMFYSA-N -1 3 356.472 3.428 20 0 FGADHM O=S(=O)([N-]C[C@@H]1OCCc2ccccc21)c1cccc(Cl)c1F ZINC000603506013 506533948 /nfs/dbraw/zinc/53/39/48/506533948.db2.gz CTDZANKTLXOBOT-AWEZNQCLSA-N -1 3 355.818 3.071 20 0 FGADHM COc1cccc(S(=O)(=O)[N-]c2cc(OC)ccc2Br)c1 ZINC000589435337 506548606 /nfs/dbraw/zinc/54/86/06/506548606.db2.gz QXUOXASIEMSTKN-UHFFFAOYSA-N -1 3 372.240 3.267 20 0 FGADHM CC(C)(C)OC(=O)C(C)(C)NCc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000599662488 506564198 /nfs/dbraw/zinc/56/41/98/506564198.db2.gz YPCCQDSNJKXWQO-UHFFFAOYSA-N -1 3 357.410 3.292 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)c1-c1cccc(Cl)c1 ZINC000608469435 506578587 /nfs/dbraw/zinc/57/85/87/506578587.db2.gz DMDLWUKVQMCCDM-CYBMUJFWSA-N -1 3 374.872 3.046 20 0 FGADHM C[S@](=O)Cc1cccc(C(=O)Nc2n[n-]c(-c3ccccc3Cl)n2)c1 ZINC000603670856 506592115 /nfs/dbraw/zinc/59/21/15/506592115.db2.gz BUVCDKWRBDVBGL-VWLOTQADSA-N -1 3 374.853 3.256 20 0 FGADHM Cn1ncc2c1nc(CN(Cc1ccsc1)c1ccccc1)[n-]c2=O ZINC000589597457 506595348 /nfs/dbraw/zinc/59/53/48/506595348.db2.gz ILUXJKMSRMLKMF-UHFFFAOYSA-N -1 3 351.435 3.337 20 0 FGADHM O=C(Cn1ncc2ccccc21)N=c1cc(-c2cccc(Cl)c2)[n-][nH]1 ZINC000593410388 506605607 /nfs/dbraw/zinc/60/56/07/506605607.db2.gz RSYZFRDQEXGCCH-UHFFFAOYSA-N -1 3 351.797 3.140 20 0 FGADHM O=C([N-]c1nc2ccccc2s1)c1nnn(C2CC2)c1C(F)(F)F ZINC000608581751 506615239 /nfs/dbraw/zinc/61/52/39/506615239.db2.gz WCHVRCVQEACYKY-UHFFFAOYSA-N -1 3 353.329 3.494 20 0 FGADHM O=C(CNC(=O)c1ccc([O-])cc1)N1CCC[C@H]1Cc1ccccc1Cl ZINC000589690648 506630799 /nfs/dbraw/zinc/63/07/99/506630799.db2.gz HLIAVLLPUCGIMR-INIZCTEOSA-N -1 3 372.852 3.009 20 0 FGADHM CCCN(C(=O)CNC(=O)c1ccc([O-])cc1)[C@@H]1CCc2ccccc21 ZINC000589692767 506632533 /nfs/dbraw/zinc/63/25/33/506632533.db2.gz JIIUORAWUKISNN-LJQANCHMSA-N -1 3 352.434 3.048 20 0 FGADHM COC(=O)c1sccc1[N-]C(=O)c1sc(-c2ncccn2)nc1C ZINC000603950087 506670442 /nfs/dbraw/zinc/67/04/42/506670442.db2.gz CXDNZGDVOJYWDF-UHFFFAOYSA-N -1 3 360.420 3.009 20 0 FGADHM O=c1cc(C(F)(F)F)nc(CS(=O)(=O)Cc2sccc2Cl)[n-]1 ZINC000583309693 506709549 /nfs/dbraw/zinc/70/95/49/506709549.db2.gz ZKCXODBPMDFTRF-UHFFFAOYSA-N -1 3 372.777 3.031 20 0 FGADHM COC(=O)c1nc[n-]c1NC(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000583330156 506720446 /nfs/dbraw/zinc/72/04/46/506720446.db2.gz OIZRMWNWDLJVIM-ZJUUUORDSA-N -1 3 354.193 3.245 20 0 FGADHM COC(=O)c1[n-]cnc1NC(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000583330156 506720454 /nfs/dbraw/zinc/72/04/54/506720454.db2.gz OIZRMWNWDLJVIM-ZJUUUORDSA-N -1 3 354.193 3.245 20 0 FGADHM O=c1nc(Cc2noc(C=C[C@H]3CCOC3)n2)[n-]c2scc(C3CC3)c21 ZINC000583423105 506770792 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CCc1cccnc1C(=O)Nc1cc(I)ccc1[O-] ZINC000611237057 507573738 /nfs/dbraw/zinc/57/37/38/507573738.db2.gz UCJKGQHOKKWNCV-UHFFFAOYSA-N -1 3 368.174 3.207 20 0 FGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]CCN2CCCCCC2)c1Cl ZINC000614605873 507583669 /nfs/dbraw/zinc/58/36/69/507583669.db2.gz UPHRCWYRMZALSG-UHFFFAOYSA-N -1 3 365.326 3.456 20 0 FGADHM CC(C)(C)OC(=O)CCCC[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000611342996 507630471 /nfs/dbraw/zinc/63/04/71/507630471.db2.gz LKSSTJDRFABGKY-UHFFFAOYSA-N -1 3 365.854 3.269 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)c1ccc(CCNC(C)=O)s1)C1CCCCC1 ZINC000585803162 507638366 /nfs/dbraw/zinc/63/83/66/507638366.db2.gz SWLOMASLIQFKPL-INIZCTEOSA-N -1 3 372.556 3.064 20 0 FGADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OC)cc2C)cc1OC ZINC000614762651 507645669 /nfs/dbraw/zinc/64/56/69/507645669.db2.gz SERVKUCLIJOKQM-UHFFFAOYSA-N -1 3 351.424 3.212 20 0 FGADHM C[C@H]1C[C@H](C)N(C(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)C1 ZINC000607221188 507657783 /nfs/dbraw/zinc/65/77/83/507657783.db2.gz RLNVTRVLZYOKEI-RYUDHWBXSA-N -1 3 371.478 3.165 20 0 FGADHM Cc1ccc(C2CC2)c(C(=O)N[C@@H](C)[C@@H](C)C(=O)Nc2ncccc2[O-])c1 ZINC000614817382 507663324 /nfs/dbraw/zinc/66/33/24/507663324.db2.gz KTWLCKAZFCUMGY-KGLIPLIRSA-N -1 3 367.449 3.366 20 0 FGADHM Cc1cccc2c(C(=O)N[C@H](C)[C@@H](C)C(=O)Nc3ncccc3[O-])coc21 ZINC000614818636 507664498 /nfs/dbraw/zinc/66/44/98/507664498.db2.gz UQHCKXFRZNPXBR-CHWSQXEVSA-N -1 3 367.405 3.235 20 0 FGADHM C[C@@H](NC(=O)CCCc1ccc(F)cc1)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000614821000 507665677 /nfs/dbraw/zinc/66/56/77/507665677.db2.gz DFJFQKOUQBESBH-ZIAGYGMSSA-N -1 3 373.428 3.029 20 0 FGADHM COC(=O)c1cc(C(=O)[N-]c2ncccc2OCC2CCCCC2)on1 ZINC000611487308 507704520 /nfs/dbraw/zinc/70/45/20/507704520.db2.gz LTTCCEHJKHLLTG-UHFFFAOYSA-N -1 3 359.382 3.068 20 0 FGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)Cn1ccc2ccc(F)cc21 ZINC000592612080 507729429 /nfs/dbraw/zinc/72/94/29/507729429.db2.gz PUWQGSYZJAHUNJ-UHFFFAOYSA-N -1 3 359.357 3.146 20 0 FGADHM CO[C@@H]1CCC[C@@H](C(=O)Nc2nnc(-c3ccc4ccccc4n3)[n-]2)C1 ZINC000615119336 507759465 /nfs/dbraw/zinc/75/94/65/507759465.db2.gz JGLSHPREWRYNKR-ZIAGYGMSSA-N -1 3 351.410 3.164 20 0 FGADHM CO[C@@H]1CCC[C@@H](C(=O)Nc2nc(-c3ccc4ccccc4n3)n[n-]2)C1 ZINC000615119336 507759472 /nfs/dbraw/zinc/75/94/72/507759472.db2.gz JGLSHPREWRYNKR-ZIAGYGMSSA-N -1 3 351.410 3.164 20 0 FGADHM CO[C@@H]1CCC[C@@H](C(=O)Nc2n[n-]c(-c3ccc4ccccc4n3)n2)C1 ZINC000615119336 507759477 /nfs/dbraw/zinc/75/94/77/507759477.db2.gz JGLSHPREWRYNKR-ZIAGYGMSSA-N -1 3 351.410 3.164 20 0 FGADHM CCCCn1cc(C(=O)Nc2cc(Cl)cc(C(=O)OC)c2[O-])c(C)n1 ZINC000588096085 507759761 /nfs/dbraw/zinc/75/97/61/507759761.db2.gz RKLOZWHNDWHWEI-UHFFFAOYSA-N -1 3 365.817 3.390 20 0 FGADHM COC(=O)c1cc(Cl)cc(NC(=O)C[C@@H]2CCC[C@@H](OC)C2)c1[O-] ZINC000588096512 507759915 /nfs/dbraw/zinc/75/99/15/507759915.db2.gz HASJSCIWDIOZAZ-ZYHUDNBSSA-N -1 3 355.818 3.366 20 0 FGADHM CCOc1ccc(CC(=O)Nc2cc(Cl)cc(C(=O)OC)c2[O-])cc1 ZINC000588095635 507760089 /nfs/dbraw/zinc/76/00/89/507760089.db2.gz ZJMFHYDLSRRDET-UHFFFAOYSA-N -1 3 363.797 3.412 20 0 FGADHM COC(=O)c1cc(Cl)cc(NC(=O)c2nc(C3CC3)oc2C)c1[O-] ZINC000588101211 507763253 /nfs/dbraw/zinc/76/32/53/507763253.db2.gz MOOVWQGXIOVAQD-UHFFFAOYSA-N -1 3 350.758 3.258 20 0 FGADHM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)ccc1OC(C)C ZINC000607616853 507777615 /nfs/dbraw/zinc/77/76/15/507777615.db2.gz YNJBMDAHOYCEJK-UHFFFAOYSA-N -1 3 363.435 3.354 20 0 FGADHM Cc1cc(C)c(-c2cc(=NC(=O)[C@@H]3CCC[C@@H](C(N)=O)C3)[nH][n-]2)cc1C ZINC000471244221 514811326 /nfs/dbraw/zinc/81/13/26/514811326.db2.gz MHUZKKCTOWOUNF-HUUCEWRRSA-N -1 3 354.454 3.232 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(NCCCc3nc(C(C)C)no3)nc2)n1 ZINC000480475353 514971493 /nfs/dbraw/zinc/97/14/93/514971493.db2.gz CEVSFWFQZUTNGA-UHFFFAOYSA-N -1 3 368.441 3.358 20 0 FGADHM CN(Cc1ccccc1)[C@H](CNC(=O)N=c1ccc(C2CC2)n[n-]1)C1CC1 ZINC000480985798 515162650 /nfs/dbraw/zinc/16/26/50/515162650.db2.gz FEYNTZNKXJPFBF-LJQANCHMSA-N -1 3 365.481 3.386 20 0 FGADHM CN(C)CCN(CCCc1ccccc1)C(=O)c1csc(=NC2CC2)[n-]1 ZINC000476798391 515199648 /nfs/dbraw/zinc/19/96/48/515199648.db2.gz YPOIVOMXNHLEEV-UHFFFAOYSA-N -1 3 372.538 3.354 20 0 FGADHM Cc1nc2ccccc2n1CCCNC(=O)c1csc(=NC2CC2)[n-]1 ZINC000476872371 515229800 /nfs/dbraw/zinc/22/98/00/515229800.db2.gz HJUUPOUYJDLBHO-UHFFFAOYSA-N -1 3 355.467 3.196 20 0 FGADHM CCN(CC)C[C@@H](C)NC(=O)N=c1[n-]nc(Cc2cccc(F)c2)s1 ZINC000504179273 515237359 /nfs/dbraw/zinc/23/73/59/515237359.db2.gz WLJHODIYVNUKNF-GFCCVEGCSA-N -1 3 365.478 3.120 20 0 FGADHM CC(C)(CNC(=O)c1csc(=NC2CC2)[n-]1)N1CCc2ccccc2C1 ZINC000476903133 515240884 /nfs/dbraw/zinc/24/08/84/515240884.db2.gz AQSMRZJUBKVOJK-UHFFFAOYSA-N -1 3 370.522 3.284 20 0 FGADHM Cc1cc(Cl)ccc1O[C@H](C)C(=O)N=c1cc(OC(F)F)n(C)[n-]1 ZINC000490920773 515333877 /nfs/dbraw/zinc/33/38/77/515333877.db2.gz WUQBHORWBLTGTP-SECBINFHSA-N -1 3 359.760 3.389 20 0 FGADHM Cc1cc(O[C@@H](C)C(=O)N=c2cc(OC(F)F)n(C)[n-]2)ccc1Cl ZINC000490924756 515334121 /nfs/dbraw/zinc/33/41/21/515334121.db2.gz IDGXLHLRZSQLSZ-VIFPVBQESA-N -1 3 359.760 3.389 20 0 FGADHM Cc1ccc(C(=O)CCC(=O)N=c2cc(OC(F)F)n(C)[n-]2)cc1C ZINC000491006016 515355883 /nfs/dbraw/zinc/35/58/83/515355883.db2.gz RVCXSMNJVJJKKD-UHFFFAOYSA-N -1 3 351.353 3.240 20 0 FGADHM Cn1[n-]c(=NC(=O)CCc2nc3ccccc3s2)cc1OC(F)F ZINC000491037637 515362982 /nfs/dbraw/zinc/36/29/82/515362982.db2.gz PXTVIVLXZNROKI-UHFFFAOYSA-N -1 3 352.366 3.203 20 0 FGADHM Cn1[n-]c(=NC(=O)[C@H]2C[C@H]2c2cc(F)c(F)c(F)c2)cc1OC(F)F ZINC000491071719 515372342 /nfs/dbraw/zinc/37/23/42/515372342.db2.gz XXIDZGDOZSGUJD-YUMQZZPRSA-N -1 3 361.270 3.181 20 0 FGADHM Cc1ncc(CNC(=O)N=c2cc3ccc(Br)cn3[n-]2)s1 ZINC000482115126 515578976 /nfs/dbraw/zinc/57/89/76/515578976.db2.gz SLOVIOMOWWXYFF-UHFFFAOYSA-N -1 3 366.244 3.183 20 0 FGADHM CSC[C@@H]1CCCN1C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482159121 515592080 /nfs/dbraw/zinc/59/20/80/515592080.db2.gz NMJCWRYIQXDIFI-LBPRGKRZSA-N -1 3 369.288 3.456 20 0 FGADHM CO[C@@H](C(=O)N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1)C1CC1 ZINC000473403868 515606847 /nfs/dbraw/zinc/60/68/47/515606847.db2.gz UZHBXSBMFCXYFP-CQSZACIVSA-N -1 3 368.206 3.342 20 0 FGADHM COc1ccc(COCCCC(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)cc1 ZINC000473854300 515778143 /nfs/dbraw/zinc/77/81/43/515778143.db2.gz JXNBQSZYNFIYAZ-KRWDZBQOSA-N -1 3 359.426 3.205 20 0 FGADHM Cc1nsc(C)c1C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000506114415 515784793 /nfs/dbraw/zinc/78/47/93/515784793.db2.gz YXCLBLOOHBHXSP-UHFFFAOYSA-N -1 3 351.229 3.422 20 0 FGADHM O=c1[n-]c(-c2cnc(NCC(F)F)cn2)nc2cc(C(F)(F)F)ccc12 ZINC000487519503 515888308 /nfs/dbraw/zinc/88/83/08/515888308.db2.gz ZNGTZQAAPZYONJ-UHFFFAOYSA-N -1 3 371.269 3.488 20 0 FGADHM CCN=c1[n-]c(C(=O)N[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2)cs1 ZINC000483168323 515965031 /nfs/dbraw/zinc/96/50/31/515965031.db2.gz SHEFNFSSFFHVCC-SNVBAGLBSA-N -1 3 368.865 3.376 20 0 FGADHM CCCOc1ccc(CNC(=O)N=c2cc(OC(F)F)n(C)[n-]2)c(C)c1 ZINC000474825256 516206632 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O=C(COc1ccc(Cl)c2cccnc12)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000525967061 517263181 /nfs/dbraw/zinc/26/31/81/517263181.db2.gz NLKXKTDZPCKHGF-AWEZNQCLSA-N -1 3 372.812 3.480 20 0 FGADHM CC1(C(=O)N=c2cc(-c3cc(Br)ccc3Cl)[n-][nH]2)COC1 ZINC000542034257 517350819 /nfs/dbraw/zinc/35/08/19/517350819.db2.gz BLTZRIUNFRMCPJ-UHFFFAOYSA-N -1 3 370.634 3.468 20 0 FGADHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1csc(Nc2ccccn2)n1 ZINC000526960532 517410662 /nfs/dbraw/zinc/41/06/62/517410662.db2.gz MKETXNXSYUYFNI-LBPRGKRZSA-N -1 3 356.411 3.109 20 0 FGADHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000526960321 517411526 /nfs/dbraw/zinc/41/15/26/517411526.db2.gz WSSNCAQAPGPHLE-BHDSKKPTSA-N -1 3 351.328 3.421 20 0 FGADHM Cc1ccccc1-c1cc(=NC(=O)C2CCC(NC(=O)C3CC3)CC2)[nH][n-]1 ZINC000527002880 517444935 /nfs/dbraw/zinc/44/49/35/517444935.db2.gz MFKZQAQYIRGNFN-UHFFFAOYSA-N -1 3 366.465 3.409 20 0 FGADHM CC(C)(C)N1CCCN(C(=O)N=c2ccc(-c3ccccc3)n[n-]2)CC1 ZINC000533452358 517470996 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3.377 20 0 FGADHM Cc1ccccc1-c1cc(=NC(=O)CC2(N3CCOCC3)CCCC2)[nH][n-]1 ZINC000539323574 517994771 /nfs/dbraw/zinc/99/47/71/517994771.db2.gz IPRQJGXWGSATQP-UHFFFAOYSA-N -1 3 368.481 3.359 20 0 FGADHM O=C(N=c1cc(-c2ccccc2)[n-][nH]1)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000522204189 518030798 /nfs/dbraw/zinc/03/07/98/518030798.db2.gz HJWAOZRZJHABMC-SFHVURJKSA-N -1 3 361.449 3.322 20 0 FGADHM CCN=c1[n-]c(C(=O)NC[C@@H]2CCN(c3ccccc3Cl)C2)cs1 ZINC000617115068 520334543 /nfs/dbraw/zinc/33/45/43/520334543.db2.gz HYRUAAVJXDVJFD-LBPRGKRZSA-N -1 3 364.902 3.485 20 0 FGADHM COC(=O)[C@@H]1CCC[C@@H](C(=O)N=c2[nH][n-]c(C)c2-c2cccc(OC)c2)C1 ZINC000600772869 520460729 /nfs/dbraw/zinc/46/07/29/520460729.db2.gz QUMJQVMQONVTSN-HUUCEWRRSA-N -1 3 371.437 3.312 20 0 FGADHM COC(=O)c1cncc(C(=O)N=c2cc(-c3cccc(Cl)c3)[n-][nH]2)c1 ZINC000611362191 521120961 /nfs/dbraw/zinc/12/09/61/521120961.db2.gz AKEPSLWFDJBNOU-UHFFFAOYSA-N -1 3 356.769 3.164 20 0 FGADHM C[C@@H](C(=O)N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1)[C@@H]1CCC(=O)N1 ZINC000626053095 521891429 /nfs/dbraw/zinc/89/14/29/521891429.db2.gz PEUQHFNSUFTVDN-PELKAZGASA-N -1 3 367.236 3.237 20 0 FGADHM COc1cccc(-c2c(C)[n-][nH]c2=NC(=O)c2cn(CCC(C)C)nn2)c1 ZINC000629693128 522397063 /nfs/dbraw/zinc/39/70/63/522397063.db2.gz BNICSBFUFQUWNE-UHFFFAOYSA-N -1 3 368.441 3.284 20 0 FGADHM COc1cccc(-c2c(C)[n-][nH]c2=NC(=O)C2(c3cc(C)no3)CC2)c1 ZINC000636291517 522884462 /nfs/dbraw/zinc/88/44/62/522884462.db2.gz XSDXLZZFYLPKIZ-UHFFFAOYSA-N -1 3 352.394 3.360 20 0 FGADHM CC(C)Cn1c(-c2ccoc2)n[n-]c1=Nc1cnn(C2CCN(C)CC2)c1 ZINC000634431280 523398404 /nfs/dbraw/zinc/39/84/04/523398404.db2.gz GDDWSRPABOEYFQ-UHFFFAOYSA-N -1 3 369.473 3.401 20 0 FGADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)[C@@H]1COC[C@H]1c1ccccc1 ZINC000622888110 523531114 /nfs/dbraw/zinc/53/11/14/523531114.db2.gz TXRAOYXNPIMUOO-NWDGAFQWSA-N -1 3 373.762 3.468 20 0 FGADHM CCN(CC)[C@H](C(=O)N=c1cc(OC(F)F)n(C)[n-]1)c1ccccc1 ZINC000490929971 561440586 /nfs/dbraw/zinc/44/05/86/561440586.db2.gz ZHEHBXSLKHMIGX-HNNXBMFYSA-N -1 3 352.385 3.043 20 0 FGADHM Cc1n[n-]c(=NC(=O)NC[C@@H](C(C)C)N2CCc3ccccc3C2)s1 ZINC000504868609 561663381 /nfs/dbraw/zinc/66/33/81/561663381.db2.gz GNVVNYMSUMXKCW-INIZCTEOSA-N -1 3 359.499 3.051 20 0 FGADHM CCc1nnc(C)cc1C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000511389148 561867538 /nfs/dbraw/zinc/86/75/38/561867538.db2.gz AXSATSWWJXQRBP-UHFFFAOYSA-N -1 3 360.215 3.010 20 0 FGADHM CCc1cc(C(=O)N=c2cc3ccc(Br)cn3[n-]2)cc(=O)[nH]1 ZINC000513733611 561948054 /nfs/dbraw/zinc/94/80/54/561948054.db2.gz RBGOTJWBGMCDQD-UHFFFAOYSA-N -1 3 361.199 3.012 20 0 FGADHM C[C@H](Cc1cnc2ccccc2n1)C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000515774551 562021598 /nfs/dbraw/zinc/02/15/98/562021598.db2.gz QLKJUFLPHFZHBF-SJKOYZFVSA-N -1 3 351.410 3.022 20 0 FGADHM CC[C@H]1CC[C@H](C(=O)N=c2[nH][n-]c(C)c2-c2ccc3c(c2)OCCO3)O1 ZINC000533403221 562507682 /nfs/dbraw/zinc/50/76/82/562507682.db2.gz QEYOGNFDHJMHHR-DZGCQCFKSA-N -1 3 357.410 3.052 20 0 FGADHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1Cc1c(C)cc(C)cc1C ZINC000737246879 598826022 /nfs/dbraw/zinc/82/60/22/598826022.db2.gz PBVHSNFRTWLJLU-UHFFFAOYSA-N -1 3 359.437 3.407 20 0 FGADHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1Cc1c(C)cc(C)cc1C ZINC000737246879 598826024 /nfs/dbraw/zinc/82/60/24/598826024.db2.gz PBVHSNFRTWLJLU-UHFFFAOYSA-N -1 3 359.437 3.407 20 0 FGADHM C[C@]1(c2ccccc2)CCCN(c2nc3c(cc2-c2nnn[n-]2)CCC3)C1 ZINC000736227037 598829808 /nfs/dbraw/zinc/82/98/08/598829808.db2.gz BUDVDDPCEBWDIF-NRFANRHFSA-N -1 3 360.465 3.309 20 0 FGADHM C[C@]1(c2ccccc2)CCCN(c2nc3c(cc2-c2nn[n-]n2)CCC3)C1 ZINC000736227037 598829809 /nfs/dbraw/zinc/82/98/09/598829809.db2.gz BUDVDDPCEBWDIF-NRFANRHFSA-N -1 3 360.465 3.309 20 0 FGADHM C[C@]1(c2ccccc2)CCCN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736229153 598838212 /nfs/dbraw/zinc/83/82/12/598838212.db2.gz KYPFEVLDKYUXFX-FQEVSTJZSA-N -1 3 362.437 3.452 20 0 FGADHM C[C@]1(c2ccccc2)CCCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736229153 598838215 /nfs/dbraw/zinc/83/82/15/598838215.db2.gz KYPFEVLDKYUXFX-FQEVSTJZSA-N -1 3 362.437 3.452 20 0 FGADHM CCC[C@H](C)CC(=O)Nc1c(C)c(C)nn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000736422620 598839105 /nfs/dbraw/zinc/83/91/05/598839105.db2.gz JLZXIKYOANYMRS-LBPRGKRZSA-N -1 3 367.457 3.434 20 0 FGADHM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ncc(-c2ccccc2)o1 ZINC000736119915 598848251 /nfs/dbraw/zinc/84/82/51/598848251.db2.gz SHZUJIQFXIDPOF-LBPRGKRZSA-N -1 3 360.377 3.013 20 0 FGADHM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ncc(-c2ccccc2)o1 ZINC000736119915 598848253 /nfs/dbraw/zinc/84/82/53/598848253.db2.gz SHZUJIQFXIDPOF-LBPRGKRZSA-N -1 3 360.377 3.013 20 0 FGADHM C[C@@H](NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C1CCCC1 ZINC000736126064 598860984 /nfs/dbraw/zinc/86/09/84/598860984.db2.gz LYPGHUXAKFZNPD-SECBINFHSA-N -1 3 350.879 3.385 20 0 FGADHM C[C@@H](NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C1CCCC1 ZINC000736126064 598860986 /nfs/dbraw/zinc/86/09/86/598860986.db2.gz LYPGHUXAKFZNPD-SECBINFHSA-N -1 3 350.879 3.385 20 0 FGADHM c1ccc2c(c1)CCC[C@H]2OCCCNc1ncccc1-c1nnn[n-]1 ZINC000738441438 598870504 /nfs/dbraw/zinc/87/05/04/598870504.db2.gz JSEDZISAGIURSL-QGZVFWFLSA-N -1 3 350.426 3.158 20 0 FGADHM c1ccc2c(c1)CCC[C@H]2OCCCNc1ncccc1-c1nn[n-]n1 ZINC000738441438 598870505 /nfs/dbraw/zinc/87/05/05/598870505.db2.gz JSEDZISAGIURSL-QGZVFWFLSA-N -1 3 350.426 3.158 20 0 FGADHM COC(=O)[C@H](Nc1cccc(C(C)C)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736898071 598878897 /nfs/dbraw/zinc/87/88/97/598878897.db2.gz ORKQAJVKPBEMCN-QGZVFWFLSA-N -1 3 351.410 3.316 20 0 FGADHM COC(=O)[C@H](Nc1cccc(C(C)C)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736898071 598878898 /nfs/dbraw/zinc/87/88/98/598878898.db2.gz ORKQAJVKPBEMCN-QGZVFWFLSA-N -1 3 351.410 3.316 20 0 FGADHM COC(=O)[C@@H](NCC1CCCCCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736895946 598880915 /nfs/dbraw/zinc/88/09/15/598880915.db2.gz KEGKPKGJEXXGGH-KRWDZBQOSA-N -1 3 357.458 3.031 20 0 FGADHM COC(=O)[C@@H](NCC1CCCCCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736895946 598880918 /nfs/dbraw/zinc/88/09/18/598880918.db2.gz KEGKPKGJEXXGGH-KRWDZBQOSA-N -1 3 357.458 3.031 20 0 FGADHM COC(=O)[C@H](NCCCC1CCCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736898176 598881824 /nfs/dbraw/zinc/88/18/24/598881824.db2.gz UWDWATLRCKXLHK-QGZVFWFLSA-N -1 3 357.458 3.031 20 0 FGADHM COC(=O)[C@H](NCCCC1CCCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736898176 598881825 /nfs/dbraw/zinc/88/18/25/598881825.db2.gz UWDWATLRCKXLHK-QGZVFWFLSA-N -1 3 357.458 3.031 20 0 FGADHM CCCCC1CCC(N[C@H](C(=O)OC)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736440704 598881990 /nfs/dbraw/zinc/88/19/90/598881990.db2.gz FPCDANBWMXRBDZ-UYJHFMRCSA-N -1 3 371.485 3.419 20 0 FGADHM CCCCC1CCC(N[C@H](C(=O)OC)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736440704 598881993 /nfs/dbraw/zinc/88/19/93/598881993.db2.gz FPCDANBWMXRBDZ-UYJHFMRCSA-N -1 3 371.485 3.419 20 0 FGADHM COC(=O)[C@@H](N[C@H](C)c1ccc(C)cc1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736899685 598882115 /nfs/dbraw/zinc/88/21/15/598882115.db2.gz ZAFHTPWLPDTAEG-KDOFPFPSSA-N -1 3 365.437 3.048 20 0 FGADHM COC(=O)[C@@H](N[C@H](C)c1ccc(C)cc1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736899685 598882116 /nfs/dbraw/zinc/88/21/16/598882116.db2.gz ZAFHTPWLPDTAEG-KDOFPFPSSA-N -1 3 365.437 3.048 20 0 FGADHM C[C@@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)c1ccc(Cl)s1 ZINC000736036911 598887373 /nfs/dbraw/zinc/88/73/73/598887373.db2.gz BUGYLLLORQENQP-VIFPVBQESA-N -1 3 364.814 3.206 20 0 FGADHM C[C@@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)c1ccc(Cl)s1 ZINC000736036911 598887374 /nfs/dbraw/zinc/88/73/74/598887374.db2.gz BUGYLLLORQENQP-VIFPVBQESA-N -1 3 364.814 3.206 20 0 FGADHM Cc1ccc(C(=O)O[C@H](C)COc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000737315133 598890431 /nfs/dbraw/zinc/89/04/31/598890431.db2.gz JYTJSHXZJVQYHQ-CQSZACIVSA-N -1 3 352.394 3.108 20 0 FGADHM Cc1ccc(C(=O)O[C@H](C)COc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000737315133 598890433 /nfs/dbraw/zinc/89/04/33/598890433.db2.gz JYTJSHXZJVQYHQ-CQSZACIVSA-N -1 3 352.394 3.108 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)NC1(C(F)(F)F)CCCCC1 ZINC000737798527 598910682 /nfs/dbraw/zinc/91/06/82/598910682.db2.gz LQZHCLPFCBUBCL-HJWRWDBZSA-N -1 3 365.359 3.261 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)NC1(C(F)(F)F)CCCCC1 ZINC000737798527 598910683 /nfs/dbraw/zinc/91/06/83/598910683.db2.gz LQZHCLPFCBUBCL-HJWRWDBZSA-N -1 3 365.359 3.261 20 0 FGADHM O=C1[C@@H](Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CCCN1c1ccccc1 ZINC000738298921 598915963 /nfs/dbraw/zinc/91/59/63/598915963.db2.gz ZOZMYBAVWCCYHF-INIZCTEOSA-N -1 3 368.828 3.128 20 0 FGADHM O=C1[C@@H](Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CCCN1c1ccccc1 ZINC000738298921 598915964 /nfs/dbraw/zinc/91/59/64/598915964.db2.gz ZOZMYBAVWCCYHF-INIZCTEOSA-N -1 3 368.828 3.128 20 0 FGADHM C[C@H]1CCCC[C@@H]1CCNC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736259350 598921833 /nfs/dbraw/zinc/92/18/33/598921833.db2.gz DQBZUYFAGWUPBW-GOEBONIOSA-N -1 3 356.474 3.225 20 0 FGADHM C[C@H]1CCCC[C@@H]1CCNC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736259350 598921835 /nfs/dbraw/zinc/92/18/35/598921835.db2.gz DQBZUYFAGWUPBW-GOEBONIOSA-N -1 3 356.474 3.225 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@@]2(CC=CCC2)C1 ZINC000737063127 598923636 /nfs/dbraw/zinc/92/36/36/598923636.db2.gz NRYWMVFETVZBBP-IBGZPJMESA-N -1 3 368.441 3.230 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@@]2(CC=CCC2)C1 ZINC000737063127 598923638 /nfs/dbraw/zinc/92/36/38/598923638.db2.gz NRYWMVFETVZBBP-IBGZPJMESA-N -1 3 368.441 3.230 20 0 FGADHM Cc1ccccc1C[C@@H]1CCCN1C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000737428224 598934805 /nfs/dbraw/zinc/93/48/05/598934805.db2.gz VDFYELVKLXHODF-HSNDNRACSA-N -1 3 373.460 3.422 20 0 FGADHM Cc1ccccc1C[C@@H]1CCCN1C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000737428224 598934807 /nfs/dbraw/zinc/93/48/07/598934807.db2.gz VDFYELVKLXHODF-HSNDNRACSA-N -1 3 373.460 3.422 20 0 FGADHM COCCN(Cc1ccc(C)cc1C)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000737001982 598940176 /nfs/dbraw/zinc/94/01/76/598940176.db2.gz IIASMOUCZMGMTO-UHFFFAOYSA-N -1 3 372.860 3.185 20 0 FGADHM COCCN(Cc1ccc(C)cc1C)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000737001982 598940177 /nfs/dbraw/zinc/94/01/77/598940177.db2.gz IIASMOUCZMGMTO-UHFFFAOYSA-N -1 3 372.860 3.185 20 0 FGADHM Cc1csc([C@H]2CCCN(c3ncc(-c4nnn[n-]4)cc3Cl)C2)n1 ZINC000737455850 598940867 /nfs/dbraw/zinc/94/08/67/598940867.db2.gz YPHGPBPVAABUHL-JTQLQIEISA-N -1 3 361.862 3.064 20 0 FGADHM Cc1csc([C@H]2CCCN(c3ncc(-c4nn[n-]n4)cc3Cl)C2)n1 ZINC000737455850 598940870 /nfs/dbraw/zinc/94/08/70/598940870.db2.gz YPHGPBPVAABUHL-JTQLQIEISA-N -1 3 361.862 3.064 20 0 FGADHM CC(C)c1ccc(N[C@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)cc1 ZINC000735928327 598958949 /nfs/dbraw/zinc/95/89/49/598958949.db2.gz IVXTVXVLEBGYSG-SFHVURJKSA-N -1 3 362.437 3.208 20 0 FGADHM CC(C)c1ccc(N[C@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)cc1 ZINC000735928327 598958951 /nfs/dbraw/zinc/95/89/51/598958951.db2.gz IVXTVXVLEBGYSG-SFHVURJKSA-N -1 3 362.437 3.208 20 0 FGADHM Cc1ccc(NC(=O)NCc2cccc(-c3nnn[n-]3)c2)cc1OC(F)F ZINC000737361156 598966915 /nfs/dbraw/zinc/96/69/15/598966915.db2.gz UPAHLNCEDMLTMM-UHFFFAOYSA-N -1 3 374.351 3.098 20 0 FGADHM Cc1ccc(NC(=O)NCc2cccc(-c3nn[n-]n3)c2)cc1OC(F)F ZINC000737361156 598966916 /nfs/dbraw/zinc/96/69/16/598966916.db2.gz UPAHLNCEDMLTMM-UHFFFAOYSA-N -1 3 374.351 3.098 20 0 FGADHM CCCCCNC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000736451453 598977641 /nfs/dbraw/zinc/97/76/41/598977641.db2.gz NIIBOPISCULLHY-UHFFFAOYSA-N -1 3 365.437 3.366 20 0 FGADHM CCCCCNC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000736451453 598977643 /nfs/dbraw/zinc/97/76/43/598977643.db2.gz NIIBOPISCULLHY-UHFFFAOYSA-N -1 3 365.437 3.366 20 0 FGADHM CC(C)[C@H](C)NC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735710439 598981289 /nfs/dbraw/zinc/98/12/89/598981289.db2.gz UCJGUTLCLUOVIV-AWEZNQCLSA-N -1 3 365.437 3.220 20 0 FGADHM Cc1ccc(C(C)C)cc1OS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000737318875 598995400 /nfs/dbraw/zinc/99/54/00/598995400.db2.gz YYVQYURYYBQQEH-UHFFFAOYSA-N -1 3 372.450 3.375 20 0 FGADHM Cc1ccc(C(C)C)cc1OS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000737318875 598995401 /nfs/dbraw/zinc/99/54/01/598995401.db2.gz YYVQYURYYBQQEH-UHFFFAOYSA-N -1 3 372.450 3.375 20 0 FGADHM CCN(C(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1)C(C)C ZINC000736508438 598995408 /nfs/dbraw/zinc/99/54/08/598995408.db2.gz LPBPSUMCKAHMIF-UHFFFAOYSA-N -1 3 365.437 3.316 20 0 FGADHM CCN(C(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1)C(C)C ZINC000736508438 598995409 /nfs/dbraw/zinc/99/54/09/598995409.db2.gz LPBPSUMCKAHMIF-UHFFFAOYSA-N -1 3 365.437 3.316 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)Oc1cccc(C(C)C)c1 ZINC000737225668 598996581 /nfs/dbraw/zinc/99/65/81/598996581.db2.gz GHALTLISKYYFDP-UHFFFAOYSA-N -1 3 358.423 3.066 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)Oc1cccc(C(C)C)c1 ZINC000737225668 598996583 /nfs/dbraw/zinc/99/65/83/598996583.db2.gz GHALTLISKYYFDP-UHFFFAOYSA-N -1 3 358.423 3.066 20 0 FGADHM Cc1c2ccccc2oc1CNC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000737210027 599007513 /nfs/dbraw/zinc/00/75/13/599007513.db2.gz BLIRENLMZWXVSU-ZHACJKMWSA-N -1 3 359.389 3.251 20 0 FGADHM Cc1c2ccccc2oc1CNC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000737210027 599007515 /nfs/dbraw/zinc/00/75/15/599007515.db2.gz BLIRENLMZWXVSU-ZHACJKMWSA-N -1 3 359.389 3.251 20 0 FGADHM O=C(C[C@@H]1CCc2ccccc21)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000737818606 599016320 /nfs/dbraw/zinc/01/63/20/599016320.db2.gz IMCHMMFSBRKKSB-SFHVURJKSA-N -1 3 373.460 3.478 20 0 FGADHM O=C(C[C@@H]1CCc2ccccc21)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000737818606 599016321 /nfs/dbraw/zinc/01/63/21/599016321.db2.gz IMCHMMFSBRKKSB-SFHVURJKSA-N -1 3 373.460 3.478 20 0 FGADHM O=C(OCCCc1nc2ccccc2s1)c1sccc1-c1nnn[n-]1 ZINC000738219358 599027159 /nfs/dbraw/zinc/02/71/59/599027159.db2.gz DIQZPEIEJPMTQB-UHFFFAOYSA-N -1 3 371.447 3.328 20 0 FGADHM O=C(OCCc1cccc(C(F)(F)F)c1)c1sccc1-c1nnn[n-]1 ZINC000738223622 599029255 /nfs/dbraw/zinc/02/92/55/599029255.db2.gz UTGHNPIILCYITQ-UHFFFAOYSA-N -1 3 368.340 3.347 20 0 FGADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(NCCSc2ccccc2)n1 ZINC000737635900 599039826 /nfs/dbraw/zinc/03/98/26/599039826.db2.gz PJYIPGKTPZQTSY-UHFFFAOYSA-N -1 3 366.372 3.485 20 0 FGADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(NCCSc2ccccc2)n1 ZINC000737635900 599039829 /nfs/dbraw/zinc/03/98/29/599039829.db2.gz PJYIPGKTPZQTSY-UHFFFAOYSA-N -1 3 366.372 3.485 20 0 FGADHM Cc1cc(CNc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)ccc1F ZINC000737265644 599041828 /nfs/dbraw/zinc/04/18/28/599041828.db2.gz YJRULJNTUYPWFZ-UHFFFAOYSA-N -1 3 352.295 3.340 20 0 FGADHM Cc1cc(CNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)ccc1F ZINC000737265644 599041830 /nfs/dbraw/zinc/04/18/30/599041830.db2.gz YJRULJNTUYPWFZ-UHFFFAOYSA-N -1 3 352.295 3.340 20 0 FGADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(N(Cc2ccccc2)C2CC2)n1 ZINC000737631483 599041939 /nfs/dbraw/zinc/04/19/39/599041939.db2.gz DRKPOOVUPKRKRV-UHFFFAOYSA-N -1 3 360.343 3.450 20 0 FGADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(N(Cc2ccccc2)C2CC2)n1 ZINC000737631483 599041942 /nfs/dbraw/zinc/04/19/42/599041942.db2.gz DRKPOOVUPKRKRV-UHFFFAOYSA-N -1 3 360.343 3.450 20 0 FGADHM Cc1cccc2c(CC(=O)OCc3ccc(-c4nnn[n-]4)cc3F)c[nH]c21 ZINC000737410168 599058923 /nfs/dbraw/zinc/05/89/23/599058923.db2.gz PNVNCLMQBLRILG-UHFFFAOYSA-N -1 3 365.368 3.081 20 0 FGADHM Cc1cccc2c(CC(=O)OCc3ccc(-c4nn[n-]n4)cc3F)c[nH]c21 ZINC000737410168 599058925 /nfs/dbraw/zinc/05/89/25/599058925.db2.gz PNVNCLMQBLRILG-UHFFFAOYSA-N -1 3 365.368 3.081 20 0 FGADHM COc1cccc(O[C@H](C)CNc2cc(Cl)ccc2-c2nnn[n-]2)c1 ZINC000821872133 599062482 /nfs/dbraw/zinc/06/24/82/599062482.db2.gz JBYUCIWTHNMOPP-LLVKDONJSA-N -1 3 359.817 3.408 20 0 FGADHM COc1cccc(O[C@H](C)CNc2cc(Cl)ccc2-c2nn[n-]n2)c1 ZINC000821872133 599062485 /nfs/dbraw/zinc/06/24/85/599062485.db2.gz JBYUCIWTHNMOPP-LLVKDONJSA-N -1 3 359.817 3.408 20 0 FGADHM Cc1cc(C)c(-c2nnn[n-]2)c(NC[C@H](C)Oc2ccccc2Cl)n1 ZINC000822192773 599065305 /nfs/dbraw/zinc/06/53/05/599065305.db2.gz AGPFTEWMUOZTMR-LBPRGKRZSA-N -1 3 358.833 3.411 20 0 FGADHM Cc1cc(C)c(-c2nn[n-]n2)c(NC[C@H](C)Oc2ccccc2Cl)n1 ZINC000822192773 599065308 /nfs/dbraw/zinc/06/53/08/599065308.db2.gz AGPFTEWMUOZTMR-LBPRGKRZSA-N -1 3 358.833 3.411 20 0 FGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1F)Nc1ccccc1Cl ZINC000737948161 599066781 /nfs/dbraw/zinc/06/67/81/599066781.db2.gz PQNXWPZIAUDITA-UHFFFAOYSA-N -1 3 363.805 3.390 20 0 FGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1F)Nc1ccccc1Cl ZINC000737948161 599066783 /nfs/dbraw/zinc/06/67/83/599066783.db2.gz PQNXWPZIAUDITA-UHFFFAOYSA-N -1 3 363.805 3.390 20 0 FGADHM CC(C)CN(C(=O)c1c(F)cccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000735819093 599069953 /nfs/dbraw/zinc/06/99/53/599069953.db2.gz RRDURYJRGSGULF-UHFFFAOYSA-N -1 3 357.364 3.448 20 0 FGADHM CC(C)CN(C(=O)c1c(F)cccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000735819093 599069956 /nfs/dbraw/zinc/06/99/56/599069956.db2.gz RRDURYJRGSGULF-UHFFFAOYSA-N -1 3 357.364 3.448 20 0 FGADHM C[C@H]1CCC[C@@H](C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)C1 ZINC000736244757 599072789 /nfs/dbraw/zinc/07/27/89/599072789.db2.gz MXUXREVWVZFNBN-GXSJLCMTSA-N -1 3 351.357 3.233 20 0 FGADHM C[C@H]1CCC[C@@H](C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)C1 ZINC000736244757 599072792 /nfs/dbraw/zinc/07/27/92/599072792.db2.gz MXUXREVWVZFNBN-GXSJLCMTSA-N -1 3 351.357 3.233 20 0 FGADHM C[C@@H]1CN(c2c(-c3nnn[n-]3)cnc3c(F)ccc(F)c32)C[C@@H](C)S1 ZINC000820766199 599073551 /nfs/dbraw/zinc/07/35/51/599073551.db2.gz AMVGWFZDUWWEOS-RKDXNWHRSA-N -1 3 362.409 3.023 20 0 FGADHM C[C@@H]1CN(c2c(-c3nn[n-]n3)cnc3c(F)ccc(F)c32)C[C@@H](C)S1 ZINC000820766199 599073554 /nfs/dbraw/zinc/07/35/54/599073554.db2.gz AMVGWFZDUWWEOS-RKDXNWHRSA-N -1 3 362.409 3.023 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000738161501 599076014 /nfs/dbraw/zinc/07/60/14/599076014.db2.gz FAEWWDGHSYIFPC-MNOVXSKESA-N -1 3 359.311 3.026 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000738161501 599076017 /nfs/dbraw/zinc/07/60/17/599076017.db2.gz FAEWWDGHSYIFPC-MNOVXSKESA-N -1 3 359.311 3.026 20 0 FGADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NC1CCC(C)(C)CC1 ZINC000735736937 599083615 /nfs/dbraw/zinc/08/36/15/599083615.db2.gz XAUXAPSZZOPYKL-KRWDZBQOSA-N -1 3 371.485 3.355 20 0 FGADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NC1CCC(C)(C)CC1 ZINC000735736937 599083617 /nfs/dbraw/zinc/08/36/17/599083617.db2.gz XAUXAPSZZOPYKL-KRWDZBQOSA-N -1 3 371.485 3.355 20 0 FGADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(N2CCC(C(F)(F)F)CC2)n1 ZINC000822723487 599088788 /nfs/dbraw/zinc/08/87/88/599088788.db2.gz GLWROORNVNRGSV-UHFFFAOYSA-N -1 3 366.269 3.059 20 0 FGADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(N2CCC(C(F)(F)F)CC2)n1 ZINC000822723487 599088790 /nfs/dbraw/zinc/08/87/90/599088790.db2.gz GLWROORNVNRGSV-UHFFFAOYSA-N -1 3 366.269 3.059 20 0 FGADHM Fc1cccc([C@@H]2CCN2c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)c1 ZINC000822786248 599091279 /nfs/dbraw/zinc/09/12/79/599091279.db2.gz GHGAPRUYVAMWSG-LBPRGKRZSA-N -1 3 364.306 3.371 20 0 FGADHM Fc1cccc([C@@H]2CCN2c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)c1 ZINC000822786248 599091282 /nfs/dbraw/zinc/09/12/82/599091282.db2.gz GHGAPRUYVAMWSG-LBPRGKRZSA-N -1 3 364.306 3.371 20 0 FGADHM Fc1cccc([C@H]2CCN2c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)c1 ZINC000822786247 599091701 /nfs/dbraw/zinc/09/17/01/599091701.db2.gz GHGAPRUYVAMWSG-GFCCVEGCSA-N -1 3 364.306 3.371 20 0 FGADHM Fc1cccc([C@H]2CCN2c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)c1 ZINC000822786247 599091704 /nfs/dbraw/zinc/09/17/04/599091704.db2.gz GHGAPRUYVAMWSG-GFCCVEGCSA-N -1 3 364.306 3.371 20 0 FGADHM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)N[C@H]1C[C@H]1C1CCCCC1 ZINC000737931579 599096706 /nfs/dbraw/zinc/09/67/06/599096706.db2.gz IBOWPFGMGDXCMR-IRXDYDNUSA-N -1 3 371.510 3.185 20 0 FGADHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)N[C@H]1C[C@H]1C1CCCCC1 ZINC000737931579 599096709 /nfs/dbraw/zinc/09/67/09/599096709.db2.gz IBOWPFGMGDXCMR-IRXDYDNUSA-N -1 3 371.510 3.185 20 0 FGADHM CCO[C@H]1C[C@@H](N(C)C(=O)c2ccc(-c3nnn[n-]3)cc2)C12CCCCC2 ZINC000736614611 599097244 /nfs/dbraw/zinc/09/72/44/599097244.db2.gz HLMIZKAGFRBBOB-SJORKVTESA-N -1 3 369.469 3.067 20 0 FGADHM CCO[C@H]1C[C@@H](N(C)C(=O)c2ccc(-c3nn[n-]n3)cc2)C12CCCCC2 ZINC000736614611 599097247 /nfs/dbraw/zinc/09/72/47/599097247.db2.gz HLMIZKAGFRBBOB-SJORKVTESA-N -1 3 369.469 3.067 20 0 FGADHM c1ccc2c(c1)CCO[C@@H]2CSCCOc1cccc(-c2nnn[n-]2)c1 ZINC000738419520 599100534 /nfs/dbraw/zinc/10/05/34/599100534.db2.gz ONKHDQZPLQEJAD-GOSISDBHSA-N -1 3 368.462 3.293 20 0 FGADHM c1ccc2c(c1)CCO[C@@H]2CSCCOc1cccc(-c2nn[n-]n2)c1 ZINC000738419520 599100536 /nfs/dbraw/zinc/10/05/36/599100536.db2.gz ONKHDQZPLQEJAD-GOSISDBHSA-N -1 3 368.462 3.293 20 0 FGADHM c1ccc2c(c1)CCO[C@H]2CSCCOc1ccccc1-c1nnn[n-]1 ZINC000738443601 599100828 /nfs/dbraw/zinc/10/08/28/599100828.db2.gz YTRPQAFVELAUPB-SFHVURJKSA-N -1 3 368.462 3.293 20 0 FGADHM c1ccc2c(c1)CCO[C@H]2CSCCOc1ccccc1-c1nn[n-]n1 ZINC000738443601 599100831 /nfs/dbraw/zinc/10/08/31/599100831.db2.gz YTRPQAFVELAUPB-SFHVURJKSA-N -1 3 368.462 3.293 20 0 FGADHM C[C@@H](NC(=O)NCC[C@H]1CCC[C@@H](C)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736249818 599104541 /nfs/dbraw/zinc/10/45/41/599104541.db2.gz KXRONBHCCMYEPQ-RBSFLKMASA-N -1 3 356.474 3.443 20 0 FGADHM C[C@@H](NC(=O)NCC[C@H]1CCC[C@@H](C)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736249818 599104546 /nfs/dbraw/zinc/10/45/46/599104546.db2.gz KXRONBHCCMYEPQ-RBSFLKMASA-N -1 3 356.474 3.443 20 0 FGADHM Cc1cc(C)c(NC(=O)CNc2cccc(-c3nnn[n-]3)c2C)c(C)c1 ZINC000822194256 607258540 /nfs/dbraw/zinc/25/85/40/607258540.db2.gz PKVGFIOACNFPTN-UHFFFAOYSA-N -1 3 350.426 3.151 20 0 FGADHM Cc1cc(C)c(NC(=O)CNc2cccc(-c3nn[n-]n3)c2C)c(C)c1 ZINC000822194256 607258541 /nfs/dbraw/zinc/25/85/41/607258541.db2.gz PKVGFIOACNFPTN-UHFFFAOYSA-N -1 3 350.426 3.151 20 0 FGADHM COC(=O)[C@H](Sc1ccc(F)cc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000736902193 599111988 /nfs/dbraw/zinc/11/19/88/599111988.db2.gz RKZFIOXKABITLO-CQSZACIVSA-N -1 3 362.361 3.151 20 0 FGADHM COC(=O)[C@H](Sc1ccc(F)cc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000736902193 599111990 /nfs/dbraw/zinc/11/19/90/599111990.db2.gz RKZFIOXKABITLO-CQSZACIVSA-N -1 3 362.361 3.151 20 0 FGADHM CC[C@](C)(NC(=O)Nc1cccc(-c2nnn[n-]2)c1)c1nc(C)cs1 ZINC000736314073 599117264 /nfs/dbraw/zinc/11/72/64/599117264.db2.gz HZTZREQXNVXHSS-INIZCTEOSA-N -1 3 357.443 3.079 20 0 FGADHM CC[C@](C)(NC(=O)Nc1cccc(-c2nn[n-]n2)c1)c1nc(C)cs1 ZINC000736314073 599117268 /nfs/dbraw/zinc/11/72/68/599117268.db2.gz HZTZREQXNVXHSS-INIZCTEOSA-N -1 3 357.443 3.079 20 0 FGADHM CC[C@@H](c1ccc(F)cc1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000820938034 599119271 /nfs/dbraw/zinc/11/92/71/599119271.db2.gz GYCPFFSVBWRRBZ-AWEZNQCLSA-N -1 3 364.377 3.070 20 0 FGADHM CC[C@@H](c1ccc(F)cc1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000820938034 599119272 /nfs/dbraw/zinc/11/92/72/599119272.db2.gz GYCPFFSVBWRRBZ-AWEZNQCLSA-N -1 3 364.377 3.070 20 0 FGADHM O=C(OC/C=C\Cl)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000738220366 599131390 /nfs/dbraw/zinc/13/13/90/599131390.db2.gz GPFUZJILHIXMFN-BAQGIRSFSA-N -1 3 370.796 3.355 20 0 FGADHM O=C(OC/C=C\Cl)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000738220366 599131391 /nfs/dbraw/zinc/13/13/91/599131391.db2.gz GPFUZJILHIXMFN-BAQGIRSFSA-N -1 3 370.796 3.355 20 0 FGADHM C[C@H](NC(=O)[C@@H]1SCCc2sccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000820322063 599136271 /nfs/dbraw/zinc/13/62/71/599136271.db2.gz QGYBLPPSICRNKI-ZUZCIYMTSA-N -1 3 371.491 3.136 20 0 FGADHM C[C@H](NC(=O)[C@@H]1SCCc2sccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000820322063 599136273 /nfs/dbraw/zinc/13/62/73/599136273.db2.gz QGYBLPPSICRNKI-ZUZCIYMTSA-N -1 3 371.491 3.136 20 0 FGADHM Cc1ccccc1[C@@H]1CN(Cc2cn3ccccc3c2-c2nnn[n-]2)CCO1 ZINC000737425184 599143122 /nfs/dbraw/zinc/14/31/22/599143122.db2.gz ZQCASNUQCGKZKC-IBGZPJMESA-N -1 3 374.448 3.001 20 0 FGADHM Cc1nn(-c2ccccc2)c(COC(=O)[C@H](C)C(C)(C)C)c1-c1nnn[n-]1 ZINC000737503241 599145857 /nfs/dbraw/zinc/14/58/57/599145857.db2.gz FIIKZGCHGOWBIE-LBPRGKRZSA-N -1 3 368.441 3.086 20 0 FGADHM C/C(=C/C(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1)C(C)(C)C ZINC000819764026 599152663 /nfs/dbraw/zinc/15/26/63/599152663.db2.gz DGNSJUGMTXHFEK-OWBHPGMISA-N -1 3 369.469 3.229 20 0 FGADHM C/C(=C/C(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1)C(C)(C)C ZINC000819764026 599152667 /nfs/dbraw/zinc/15/26/67/599152667.db2.gz DGNSJUGMTXHFEK-OWBHPGMISA-N -1 3 369.469 3.229 20 0 FGADHM COc1ccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c(OC)c1OC ZINC000821835025 599155604 /nfs/dbraw/zinc/15/56/04/599155604.db2.gz BGAOMQQZFQRSII-NSHDSACASA-N -1 3 355.398 3.066 20 0 FGADHM COc1ccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c(OC)c1OC ZINC000821835025 599155606 /nfs/dbraw/zinc/15/56/06/599155606.db2.gz BGAOMQQZFQRSII-NSHDSACASA-N -1 3 355.398 3.066 20 0 FGADHM Cc1ccc([C@@H]2CCCN2C(=S)Nc2ccccc2-c2nnn[n-]2)o1 ZINC000737328971 599158833 /nfs/dbraw/zinc/15/88/33/599158833.db2.gz FHPXHDKUSQVKIN-AWEZNQCLSA-N -1 3 354.439 3.302 20 0 FGADHM Cc1ccc([C@@H]2CCCN2C(=S)Nc2ccccc2-c2nn[n-]n2)o1 ZINC000737328971 599158835 /nfs/dbraw/zinc/15/88/35/599158835.db2.gz FHPXHDKUSQVKIN-AWEZNQCLSA-N -1 3 354.439 3.302 20 0 FGADHM Cc1ccc([C@@H]2CCCN2C(=O)CSc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000737329916 599167748 /nfs/dbraw/zinc/16/77/48/599167748.db2.gz HWGYVZSWMFBNCT-HNNXBMFYSA-N -1 3 369.450 3.224 20 0 FGADHM Cc1ccc([C@@H]2CCCN2C(=O)CSc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000737329916 599167750 /nfs/dbraw/zinc/16/77/50/599167750.db2.gz HWGYVZSWMFBNCT-HNNXBMFYSA-N -1 3 369.450 3.224 20 0 FGADHM O=C1[C@@H](Sc2ccc(-c3nnn[n-]3)cc2F)CCN1c1ccccc1F ZINC000738294942 599170435 /nfs/dbraw/zinc/17/04/35/599170435.db2.gz GNJMSFWZQITEKG-HNNXBMFYSA-N -1 3 373.388 3.043 20 0 FGADHM O=C1[C@@H](Sc2ccc(-c3nn[n-]n3)cc2F)CCN1c1ccccc1F ZINC000738294942 599170436 /nfs/dbraw/zinc/17/04/36/599170436.db2.gz GNJMSFWZQITEKG-HNNXBMFYSA-N -1 3 373.388 3.043 20 0 FGADHM C[C@@H]1CCCC[C@@H]1N(C)C(=O)CSc1ccc(-c2nnn[n-]2)cc1F ZINC000736273204 599171328 /nfs/dbraw/zinc/17/13/28/599171328.db2.gz RCXLEDQSCJPUBB-RISCZKNCSA-N -1 3 363.462 3.135 20 0 FGADHM C[C@@H]1CCCC[C@@H]1N(C)C(=O)CSc1ccc(-c2nn[n-]n2)cc1F ZINC000736273204 599171329 /nfs/dbraw/zinc/17/13/29/599171329.db2.gz RCXLEDQSCJPUBB-RISCZKNCSA-N -1 3 363.462 3.135 20 0 FGADHM C[C@H]1CCc2c(sc(NC(=O)[C@@H]3Cc4ccccc43)c2-c2nnn[n-]2)C1 ZINC000736281833 599177480 /nfs/dbraw/zinc/17/74/80/599177480.db2.gz XSOJIGGLEPJZKT-IINYFYTJSA-N -1 3 365.462 3.331 20 0 FGADHM C[C@H]1CCc2c(sc(NC(=O)[C@@H]3Cc4ccccc43)c2-c2nn[n-]n2)C1 ZINC000736281833 599177482 /nfs/dbraw/zinc/17/74/82/599177482.db2.gz XSOJIGGLEPJZKT-IINYFYTJSA-N -1 3 365.462 3.331 20 0 FGADHM CCCc1ncc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)s1 ZINC000736495510 599178195 /nfs/dbraw/zinc/17/81/95/599178195.db2.gz MUXVEOZJQRZVJV-UHFFFAOYSA-N -1 3 374.495 3.468 20 0 FGADHM CCCc1ncc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)s1 ZINC000736495510 599178197 /nfs/dbraw/zinc/17/81/97/599178197.db2.gz MUXVEOZJQRZVJV-UHFFFAOYSA-N -1 3 374.495 3.468 20 0 FGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@@H]1c1ccco1 ZINC000735661143 599180409 /nfs/dbraw/zinc/18/04/09/599180409.db2.gz RPUVGRPPKFFQEB-CYBMUJFWSA-N -1 3 369.429 3.385 20 0 FGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@@H]1c1ccco1 ZINC000735661143 599180411 /nfs/dbraw/zinc/18/04/11/599180411.db2.gz RPUVGRPPKFFQEB-CYBMUJFWSA-N -1 3 369.429 3.385 20 0 FGADHM CC(C)(C)[C@@H]1CCCN(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000735598372 599189513 /nfs/dbraw/zinc/18/95/13/599189513.db2.gz YYZMVRWYBUYICV-OAHLLOKOSA-N -1 3 374.464 3.364 20 0 FGADHM CC(C)(C)[C@@H]1CCCN(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000735598372 599189516 /nfs/dbraw/zinc/18/95/16/599189516.db2.gz YYZMVRWYBUYICV-OAHLLOKOSA-N -1 3 374.464 3.364 20 0 FGADHM CCCC[C@H](CC)CC(=O)N(CCOC)c1ccc(-c2nnn[n-]2)cc1 ZINC000736436972 599204906 /nfs/dbraw/zinc/20/49/06/599204906.db2.gz BWVMBYISLBDHQG-HNNXBMFYSA-N -1 3 359.474 3.453 20 0 FGADHM CCCC[C@H](CC)CC(=O)N(CCOC)c1ccc(-c2nn[n-]n2)cc1 ZINC000736436972 599204907 /nfs/dbraw/zinc/20/49/07/599204907.db2.gz BWVMBYISLBDHQG-HNNXBMFYSA-N -1 3 359.474 3.453 20 0 FGADHM COCCN(C(=O)C[C@@H]1CCC[C@H](C)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736988346 599205796 /nfs/dbraw/zinc/20/57/96/599205796.db2.gz KVIVSBUQMDPSQF-LSDHHAIUSA-N -1 3 357.458 3.063 20 0 FGADHM COCCN(C(=O)C[C@@H]1CCC[C@H](C)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736988346 599205797 /nfs/dbraw/zinc/20/57/97/599205797.db2.gz KVIVSBUQMDPSQF-LSDHHAIUSA-N -1 3 357.458 3.063 20 0 FGADHM C[C@H]1CN(C(=O)CSc2ccc(-c3nnn[n-]3)cc2)[C@H]1c1ccccc1 ZINC000820733644 599208869 /nfs/dbraw/zinc/20/88/69/599208869.db2.gz HSEYHOHPAWNGKZ-SCLBCKFNSA-N -1 3 365.462 3.178 20 0 FGADHM C[C@H]1CN(C(=O)CSc2ccc(-c3nn[n-]n3)cc2)[C@H]1c1ccccc1 ZINC000820733644 599208871 /nfs/dbraw/zinc/20/88/71/599208871.db2.gz HSEYHOHPAWNGKZ-SCLBCKFNSA-N -1 3 365.462 3.178 20 0 FGADHM CC(C)[C@H](Cc1ccc(F)cc1)N(C)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820020149 599210715 /nfs/dbraw/zinc/21/07/15/599210715.db2.gz CFSSEOWBFFXBCI-SFHVURJKSA-N -1 3 367.428 3.345 20 0 FGADHM CC(C)[C@H](Cc1ccc(F)cc1)N(C)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820020149 599210717 /nfs/dbraw/zinc/21/07/17/599210717.db2.gz CFSSEOWBFFXBCI-SFHVURJKSA-N -1 3 367.428 3.345 20 0 FGADHM C[C@H](CNC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccc(F)cc1F ZINC000820260500 599211354 /nfs/dbraw/zinc/21/13/54/599211354.db2.gz HMWOUMCHGWRQJL-OJIASSBASA-N -1 3 369.375 3.078 20 0 FGADHM C[C@H](CNC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC000820260500 599211356 /nfs/dbraw/zinc/21/13/56/599211356.db2.gz HMWOUMCHGWRQJL-OJIASSBASA-N -1 3 369.375 3.078 20 0 FGADHM O=C(Nc1ccnn1-c1ccc(Cl)cc1)c1sccc1-c1nnn[n-]1 ZINC000823375901 599217428 /nfs/dbraw/zinc/21/74/28/599217428.db2.gz OPDKMUWGWHKLJR-UHFFFAOYSA-N -1 3 371.813 3.020 20 0 FGADHM O=C(Nc1ccnn1-c1ccc(Cl)cc1)c1sccc1-c1nn[n-]n1 ZINC000823375901 599217431 /nfs/dbraw/zinc/21/74/31/599217431.db2.gz OPDKMUWGWHKLJR-UHFFFAOYSA-N -1 3 371.813 3.020 20 0 FGADHM O=C(Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1)C(F)(F)F ZINC000823356809 599219706 /nfs/dbraw/zinc/21/97/06/599219706.db2.gz ONMYHCKZLVVHPV-UHFFFAOYSA-N -1 3 367.262 3.299 20 0 FGADHM O=C(Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1)C(F)(F)F ZINC000823356809 599219707 /nfs/dbraw/zinc/21/97/07/599219707.db2.gz ONMYHCKZLVVHPV-UHFFFAOYSA-N -1 3 367.262 3.299 20 0 FGADHM C[C@@H]1CN(C(=O)c2sccc2-c2nnn[n-]2)CC[C@H]1c1ccccc1 ZINC000736295151 599222912 /nfs/dbraw/zinc/22/29/12/599222912.db2.gz YURFZEGOSTYZPS-TZMCWYRMSA-N -1 3 353.451 3.194 20 0 FGADHM C[C@@H]1CN(C(=O)c2sccc2-c2nn[n-]n2)CC[C@H]1c1ccccc1 ZINC000736295151 599222914 /nfs/dbraw/zinc/22/29/14/599222914.db2.gz YURFZEGOSTYZPS-TZMCWYRMSA-N -1 3 353.451 3.194 20 0 FGADHM O=C(CC1CCOCC1)Nc1sc(-c2ccccc2)cc1-c1nnn[n-]1 ZINC000737821627 599223414 /nfs/dbraw/zinc/22/34/14/599223414.db2.gz VZDFVJQCUJATNT-UHFFFAOYSA-N -1 3 369.450 3.350 20 0 FGADHM O=C(CC1CCOCC1)Nc1sc(-c2ccccc2)cc1-c1nn[n-]n1 ZINC000737821627 599223417 /nfs/dbraw/zinc/22/34/17/599223417.db2.gz VZDFVJQCUJATNT-UHFFFAOYSA-N -1 3 369.450 3.350 20 0 FGADHM CC1(C)C[C@H](NC(=O)NCc2ccc(-c3nnn[n-]3)cc2)c2ccccc21 ZINC000820590545 607261083 /nfs/dbraw/zinc/26/10/83/607261083.db2.gz WGRNZTMOFYWLBH-KRWDZBQOSA-N -1 3 362.437 3.089 20 0 FGADHM CC1(C)C[C@H](NC(=O)NCc2ccc(-c3nn[n-]n3)cc2)c2ccccc21 ZINC000820590545 607261084 /nfs/dbraw/zinc/26/10/84/607261084.db2.gz WGRNZTMOFYWLBH-KRWDZBQOSA-N -1 3 362.437 3.089 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1NCCc1ccc(Br)cc1 ZINC000737640183 599232061 /nfs/dbraw/zinc/23/20/61/599232061.db2.gz LUTIYPOMPSDOCI-UHFFFAOYSA-N -1 3 362.206 3.423 20 0 FGADHM Fc1cc(NC(=S)NC2CC2)ccc1Oc1ccccc1-c1nnn[n-]1 ZINC000822753316 599232261 /nfs/dbraw/zinc/23/22/61/599232261.db2.gz MYAKJFUOAROMIW-UHFFFAOYSA-N -1 3 370.413 3.247 20 0 FGADHM Fc1cc(NC(=S)NC2CC2)ccc1Oc1ccccc1-c1nn[n-]n1 ZINC000822753316 599232264 /nfs/dbraw/zinc/23/22/64/599232264.db2.gz MYAKJFUOAROMIW-UHFFFAOYSA-N -1 3 370.413 3.247 20 0 FGADHM C[S@](=O)Cc1ccc(Cl)c(NCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737173762 599233550 /nfs/dbraw/zinc/23/35/50/599233550.db2.gz PTLHXUZRPMUCTO-DEOSSOPVSA-N -1 3 361.858 3.011 20 0 FGADHM C[S@](=O)Cc1ccc(Cl)c(NCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737173762 599233551 /nfs/dbraw/zinc/23/35/51/599233551.db2.gz PTLHXUZRPMUCTO-DEOSSOPVSA-N -1 3 361.858 3.011 20 0 FGADHM O=C(C=Cc1ccnc(Cl)c1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000822937021 607263382 /nfs/dbraw/zinc/26/33/82/607263382.db2.gz YRFBHWWZQKTXAV-RJRFIUFISA-N -1 3 361.192 3.220 20 0 FGADHM O=C(C=Cc1ccnc(Cl)c1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000822937021 607263383 /nfs/dbraw/zinc/26/33/83/607263383.db2.gz YRFBHWWZQKTXAV-RJRFIUFISA-N -1 3 361.192 3.220 20 0 FGADHM Cc1c(NC(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)cccc1-c1nnn[n-]1 ZINC000822061497 607266330 /nfs/dbraw/zinc/26/63/30/607266330.db2.gz ODMOGXGHTXRQSK-QWHCGFSZSA-N -1 3 355.348 3.196 20 0 FGADHM Cc1c(NC(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)cccc1-c1nn[n-]n1 ZINC000822061497 607266331 /nfs/dbraw/zinc/26/63/31/607266331.db2.gz ODMOGXGHTXRQSK-QWHCGFSZSA-N -1 3 355.348 3.196 20 0 FGADHM CC(=O)c1ccc(NC(=S)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000819833637 599237719 /nfs/dbraw/zinc/23/77/19/599237719.db2.gz JCMQZPOIHNSEHD-NSHDSACASA-N -1 3 366.450 3.117 20 0 FGADHM CC(=O)c1ccc(NC(=S)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000819833637 599237721 /nfs/dbraw/zinc/23/77/21/599237721.db2.gz JCMQZPOIHNSEHD-NSHDSACASA-N -1 3 366.450 3.117 20 0 FGADHM Cc1cc(OCC(=O)Nc2cccc(-c3nnn[n-]3)c2C)ccc1Cl ZINC000822210561 607269918 /nfs/dbraw/zinc/26/99/18/607269918.db2.gz HUEKJMLIAPHXRP-UHFFFAOYSA-N -1 3 357.801 3.154 20 0 FGADHM Cc1cc(OCC(=O)Nc2cccc(-c3nn[n-]n3)c2C)ccc1Cl ZINC000822210561 607269919 /nfs/dbraw/zinc/26/99/19/607269919.db2.gz HUEKJMLIAPHXRP-UHFFFAOYSA-N -1 3 357.801 3.154 20 0 FGADHM CCCC[C@H](CC)CC(=O)OCC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000736436618 599241684 /nfs/dbraw/zinc/24/16/84/599241684.db2.gz DVJQMVLMXWSYAJ-NSHDSACASA-N -1 3 365.459 3.016 20 0 FGADHM CCCC[C@H](CC)CC(=O)OCC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000736436618 599241685 /nfs/dbraw/zinc/24/16/85/599241685.db2.gz DVJQMVLMXWSYAJ-NSHDSACASA-N -1 3 365.459 3.016 20 0 FGADHM CCOc1ccc2cc(C(=O)Nc3cccc(-c4nnn[n-]4)c3C)[nH]c2c1 ZINC000821427589 607269485 /nfs/dbraw/zinc/26/94/85/607269485.db2.gz VZAANJOBAGLJSS-UHFFFAOYSA-N -1 3 362.393 3.307 20 0 FGADHM CCOc1ccc2cc(C(=O)Nc3cccc(-c4nn[n-]n4)c3C)[nH]c2c1 ZINC000821427589 607269486 /nfs/dbraw/zinc/26/94/86/607269486.db2.gz VZAANJOBAGLJSS-UHFFFAOYSA-N -1 3 362.393 3.307 20 0 FGADHM C[C@H](c1ccccc1)N1CC[C@H](NC(=O)Nc2cccc(CC(=O)[O-])c2)C1 ZINC000737721719 597195967 /nfs/dbraw/zinc/19/59/67/597195967.db2.gz QIEAYKCYZQIDNF-BEFAXECRSA-N -1 3 367.449 3.271 20 0 FGADHM COc1ccc(NC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1Cl ZINC000821831977 599247928 /nfs/dbraw/zinc/24/79/28/599247928.db2.gz VHYPMOBFXUVAKX-SNVBAGLBSA-N -1 3 372.816 3.411 20 0 FGADHM COc1ccc(NC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1Cl ZINC000821831977 599247930 /nfs/dbraw/zinc/24/79/30/599247930.db2.gz VHYPMOBFXUVAKX-SNVBAGLBSA-N -1 3 372.816 3.411 20 0 FGADHM C[C@@H](NC(=O)c1cc2cc(F)ccc2o1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736116737 599247963 /nfs/dbraw/zinc/24/79/63/599247963.db2.gz CTZFXESLMAPFLW-SNVBAGLBSA-N -1 3 351.341 3.243 20 0 FGADHM C[C@@H](NC(=O)c1cc2cc(F)ccc2o1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736116737 599247965 /nfs/dbraw/zinc/24/79/65/599247965.db2.gz CTZFXESLMAPFLW-SNVBAGLBSA-N -1 3 351.341 3.243 20 0 FGADHM Cc1ccc(Cl)cc1NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822240004 599248179 /nfs/dbraw/zinc/24/81/79/599248179.db2.gz NZVWQUHJIPKFLN-UHFFFAOYSA-N -1 3 360.780 3.289 20 0 FGADHM Cc1ccc(Cl)cc1NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822240004 599248181 /nfs/dbraw/zinc/24/81/81/599248181.db2.gz NZVWQUHJIPKFLN-UHFFFAOYSA-N -1 3 360.780 3.289 20 0 FGADHM Cc1ccc(Cl)cc1NC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000822239967 599248267 /nfs/dbraw/zinc/24/82/67/599248267.db2.gz MSDLKWDJXDMLFU-UHFFFAOYSA-N -1 3 372.816 3.029 20 0 FGADHM CCOc1ccc(CNC(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1F ZINC000821421985 607287794 /nfs/dbraw/zinc/28/77/94/607287794.db2.gz JDEXHBBBLLQDIJ-UHFFFAOYSA-N -1 3 370.388 3.035 20 0 FGADHM CCOc1ccc(CNC(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1F ZINC000821421985 607287795 /nfs/dbraw/zinc/28/77/95/607287795.db2.gz JDEXHBBBLLQDIJ-UHFFFAOYSA-N -1 3 370.388 3.035 20 0 FGADHM Cc1ccc2c(c1C)OC[C@H]2NC(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000822279923 607283609 /nfs/dbraw/zinc/28/36/09/607283609.db2.gz FVIRIJWWGGCBKQ-MRXNPFEDSA-N -1 3 364.409 3.047 20 0 FGADHM Cc1ccc2c(c1C)OC[C@H]2NC(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000822279923 607283610 /nfs/dbraw/zinc/28/36/10/607283610.db2.gz FVIRIJWWGGCBKQ-MRXNPFEDSA-N -1 3 364.409 3.047 20 0 FGADHM C[C@@H](NC(=O)N1Cc2ccccc2C[C@@H]1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820351295 599261769 /nfs/dbraw/zinc/26/17/69/599261769.db2.gz OESILDJRTLIGBQ-UONOGXRCSA-N -1 3 362.437 3.084 20 0 FGADHM C[C@@H](NC(=O)N1Cc2ccccc2C[C@@H]1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820351295 599261772 /nfs/dbraw/zinc/26/17/72/599261772.db2.gz OESILDJRTLIGBQ-UONOGXRCSA-N -1 3 362.437 3.084 20 0 FGADHM CC[C@H](NC(=O)Nc1cccc(-c2nnn[n-]2)c1C)c1ccccc1OC ZINC000820920196 607290461 /nfs/dbraw/zinc/29/04/61/607290461.db2.gz MVHNMSFRFJMSMC-HNNXBMFYSA-N -1 3 366.425 3.457 20 0 FGADHM CC[C@H](NC(=O)Nc1cccc(-c2nn[n-]n2)c1C)c1ccccc1OC ZINC000820920196 607290462 /nfs/dbraw/zinc/29/04/62/607290462.db2.gz MVHNMSFRFJMSMC-HNNXBMFYSA-N -1 3 366.425 3.457 20 0 FGADHM CCS[C@@H]1CCCC[C@@H]1NC(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821454481 607291191 /nfs/dbraw/zinc/29/11/91/607291191.db2.gz GEDCPOORBNZJMS-LSDHHAIUSA-N -1 3 360.487 3.361 20 0 FGADHM CCS[C@@H]1CCCC[C@@H]1NC(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821454481 607291192 /nfs/dbraw/zinc/29/11/92/607291192.db2.gz GEDCPOORBNZJMS-LSDHHAIUSA-N -1 3 360.487 3.361 20 0 FGADHM Cc1c(NC(=O)C2(c3ccc(F)cc3)CCC2)cccc1-c1nnn[n-]1 ZINC000822061380 607294949 /nfs/dbraw/zinc/29/49/49/607294949.db2.gz MXUQIBUBRYGJQN-UHFFFAOYSA-N -1 3 351.385 3.375 20 0 FGADHM Cc1c(NC(=O)C2(c3ccc(F)cc3)CCC2)cccc1-c1nn[n-]n1 ZINC000822061380 607294950 /nfs/dbraw/zinc/29/49/50/607294950.db2.gz MXUQIBUBRYGJQN-UHFFFAOYSA-N -1 3 351.385 3.375 20 0 FGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)NCCCC(F)(F)F ZINC000820151684 599261169 /nfs/dbraw/zinc/26/11/69/599261169.db2.gz MQSUVTRIZKNFFX-UHFFFAOYSA-N -1 3 372.351 3.118 20 0 FGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)NCCCC(F)(F)F ZINC000820151684 599261170 /nfs/dbraw/zinc/26/11/70/599261170.db2.gz MQSUVTRIZKNFFX-UHFFFAOYSA-N -1 3 372.351 3.118 20 0 FGADHM CCC(CC)n1nccc1C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000820903866 607306865 /nfs/dbraw/zinc/30/68/65/607306865.db2.gz ZLCSKLPDWGPHGS-UHFFFAOYSA-N -1 3 359.821 3.330 20 0 FGADHM CCC(CC)n1nccc1C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000820903866 607306866 /nfs/dbraw/zinc/30/68/66/607306866.db2.gz ZLCSKLPDWGPHGS-UHFFFAOYSA-N -1 3 359.821 3.330 20 0 FGADHM COc1ccc(CNc2ccc(N3CCCC3)cc2C)cc1-c1nnn[n-]1 ZINC000821821494 607308148 /nfs/dbraw/zinc/30/81/48/607308148.db2.gz ICZDJWUKWJXKSE-UHFFFAOYSA-N -1 3 364.453 3.396 20 0 FGADHM COc1ccc(CNc2ccc(N3CCCC3)cc2C)cc1-c1nn[n-]n1 ZINC000821821494 607308149 /nfs/dbraw/zinc/30/81/49/607308149.db2.gz ICZDJWUKWJXKSE-UHFFFAOYSA-N -1 3 364.453 3.396 20 0 FGADHM COc1ccc(OC(F)F)c(NCc2ccc(-c3nnn[n-]3)s2)c1 ZINC000821837987 607312493 /nfs/dbraw/zinc/31/24/93/607312493.db2.gz ISBPNQMBVNSKKP-UHFFFAOYSA-N -1 3 353.354 3.150 20 0 FGADHM C[C@@H](OC(=O)CCc1ccc(F)cc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000824712928 607779077 /nfs/dbraw/zinc/77/90/77/607779077.db2.gz FJYJIABYYJTUQN-LLVKDONJSA-N -1 3 358.348 3.382 20 0 FGADHM C[C@@H](OC(=O)CCc1ccc(F)cc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000824712928 607779078 /nfs/dbraw/zinc/77/90/78/607779078.db2.gz FJYJIABYYJTUQN-LLVKDONJSA-N -1 3 358.348 3.382 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H]1C[C@H]1C1CCCCC1 ZINC000821406892 599267516 /nfs/dbraw/zinc/26/75/16/599267516.db2.gz LMQAAJDOAKPAHQ-LSDHHAIUSA-N -1 3 370.457 3.356 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@H]1C[C@H]1C1CCCCC1 ZINC000821406892 599267521 /nfs/dbraw/zinc/26/75/21/599267521.db2.gz LMQAAJDOAKPAHQ-LSDHHAIUSA-N -1 3 370.457 3.356 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(F)cc1F ZINC000736489410 599275288 /nfs/dbraw/zinc/27/52/88/599275288.db2.gz ZHTFESMGHAFSGJ-UHFFFAOYSA-N -1 3 358.352 3.219 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CCc1ccccc1F ZINC000736487576 599276616 /nfs/dbraw/zinc/27/66/16/599276616.db2.gz IMBUMKBZPNOVTC-UHFFFAOYSA-N -1 3 368.416 3.399 20 0 FGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N1CCS[C@H](c2ccccc2)C1 ZINC000738179699 599277079 /nfs/dbraw/zinc/27/70/79/599277079.db2.gz ZRSBHEUSOTVQDF-INIZCTEOSA-N -1 3 366.450 3.189 20 0 FGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N1CCS[C@H](c2ccccc2)C1 ZINC000738179699 599277081 /nfs/dbraw/zinc/27/70/81/599277081.db2.gz ZRSBHEUSOTVQDF-INIZCTEOSA-N -1 3 366.450 3.189 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)Cc1ccccc1F ZINC000736487956 599277464 /nfs/dbraw/zinc/27/74/64/599277464.db2.gz LIPBTAZDPQXMMV-UHFFFAOYSA-N -1 3 354.389 3.009 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H](C)OCCC(C)C ZINC000736487030 599278841 /nfs/dbraw/zinc/27/88/41/599278841.db2.gz APEWFUCZYWYLMP-ZDUSSCGKSA-N -1 3 360.462 3.078 20 0 FGADHM CC[C@@H](Cc1ccccc1)N(C)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820913175 599278990 /nfs/dbraw/zinc/27/89/90/599278990.db2.gz DEMAUJYUDXIORQ-HNNXBMFYSA-N -1 3 368.416 3.491 20 0 FGADHM CC[C@@H](Cc1ccccc1)N(C)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820913175 599278993 /nfs/dbraw/zinc/27/89/93/599278993.db2.gz DEMAUJYUDXIORQ-HNNXBMFYSA-N -1 3 368.416 3.491 20 0 FGADHM O=C(C[C@H]1CCOc2ccccc21)OCc1cc(-c2nnn[n-]2)ccc1F ZINC000737821546 599279581 /nfs/dbraw/zinc/27/95/81/599279581.db2.gz VTIHFGJRXNYXNV-GFCCVEGCSA-N -1 3 368.368 3.005 20 0 FGADHM O=C(C[C@H]1CCOc2ccccc21)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000737821546 599279585 /nfs/dbraw/zinc/27/95/85/599279585.db2.gz VTIHFGJRXNYXNV-GFCCVEGCSA-N -1 3 368.368 3.005 20 0 FGADHM CO[C@@H](C)COC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000821674187 607320193 /nfs/dbraw/zinc/32/01/93/607320193.db2.gz WMNHLQVPKQXEDN-ZDUSSCGKSA-N -1 3 368.393 3.159 20 0 FGADHM CO[C@@H](C)COC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000821674187 607320194 /nfs/dbraw/zinc/32/01/94/607320194.db2.gz WMNHLQVPKQXEDN-ZDUSSCGKSA-N -1 3 368.393 3.159 20 0 FGADHM Cc1cc(NC(=O)NCc2cccc(-c3nnn[n-]3)c2)ccc1OC(C)C ZINC000822208143 599284980 /nfs/dbraw/zinc/28/49/80/599284980.db2.gz CWHHFWQJGNLXAF-UHFFFAOYSA-N -1 3 366.425 3.284 20 0 FGADHM Cc1cc(NC(=O)NCc2cccc(-c3nn[n-]n3)c2)ccc1OC(C)C ZINC000822208143 599284983 /nfs/dbraw/zinc/28/49/83/599284983.db2.gz CWHHFWQJGNLXAF-UHFFFAOYSA-N -1 3 366.425 3.284 20 0 FGADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)OCCCc1ccc(F)cc1 ZINC000737853913 599286621 /nfs/dbraw/zinc/28/66/21/599286621.db2.gz OUQCZXPNQYVEAX-UHFFFAOYSA-N -1 3 354.385 3.114 20 0 FGADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)OCCCc1ccc(F)cc1 ZINC000737853913 599286623 /nfs/dbraw/zinc/28/66/23/599286623.db2.gz OUQCZXPNQYVEAX-UHFFFAOYSA-N -1 3 354.385 3.114 20 0 FGADHM C[C@@H]1C[C@@H](C)CN(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C1 ZINC000820649951 599288445 /nfs/dbraw/zinc/28/84/45/599288445.db2.gz PMFFXMRSONFTMU-NXEZZACHSA-N -1 3 368.363 3.395 20 0 FGADHM C[C@@H]1C[C@@H](C)CN(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C1 ZINC000820649951 599288447 /nfs/dbraw/zinc/28/84/47/599288447.db2.gz PMFFXMRSONFTMU-NXEZZACHSA-N -1 3 368.363 3.395 20 0 FGADHM CN(Cc1ccoc1)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000821615651 599292166 /nfs/dbraw/zinc/29/21/66/599292166.db2.gz HIDKAOLEUHXKBA-UHFFFAOYSA-N -1 3 366.303 3.142 20 0 FGADHM CN(Cc1ccoc1)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821615651 599292169 /nfs/dbraw/zinc/29/21/69/599292169.db2.gz HIDKAOLEUHXKBA-UHFFFAOYSA-N -1 3 366.303 3.142 20 0 FGADHM CC1(C)CCc2ccccc2[C@H]1NC(=O)c1sccc1-c1nnn[n-]1 ZINC000824808799 607779714 /nfs/dbraw/zinc/77/97/14/607779714.db2.gz ZKCWIWTZAOHOBV-OAHLLOKOSA-N -1 3 353.451 3.372 20 0 FGADHM CC1(C)CCc2ccccc2[C@H]1NC(=O)c1sccc1-c1nn[n-]n1 ZINC000824808799 607779715 /nfs/dbraw/zinc/77/97/15/607779715.db2.gz ZKCWIWTZAOHOBV-OAHLLOKOSA-N -1 3 353.451 3.372 20 0 FGADHM Fc1cccc(Nc2cccc(OC[C@H]3CCCO3)c2)c1-c1nnn[n-]1 ZINC000737663991 598237212 /nfs/dbraw/zinc/23/72/12/598237212.db2.gz LIOFXWZQZOVLAZ-CQSZACIVSA-N -1 3 355.373 3.307 20 0 FGADHM Fc1cccc(Nc2cccc(OC[C@H]3CCCO3)c2)c1-c1nn[n-]n1 ZINC000737663991 598237213 /nfs/dbraw/zinc/23/72/13/598237213.db2.gz LIOFXWZQZOVLAZ-CQSZACIVSA-N -1 3 355.373 3.307 20 0 FGADHM C[C@@H]1Cc2ccccc2N(C(=O)CSc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736298100 598238946 /nfs/dbraw/zinc/23/89/46/598238946.db2.gz OQJMUHRHHZPQGK-CYBMUJFWSA-N -1 3 365.462 3.184 20 0 FGADHM C[C@@H]1Cc2ccccc2N(C(=O)CSc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736298100 598238948 /nfs/dbraw/zinc/23/89/48/598238948.db2.gz OQJMUHRHHZPQGK-CYBMUJFWSA-N -1 3 365.462 3.184 20 0 FGADHM Fc1cccc(Nc2ccc(OC[C@@H]3CCCO3)cc2)c1-c1nnn[n-]1 ZINC000737663598 598240240 /nfs/dbraw/zinc/24/02/40/598240240.db2.gz JFSWUEVHUDQQLZ-AWEZNQCLSA-N -1 3 355.373 3.307 20 0 FGADHM Fc1cccc(Nc2ccc(OC[C@@H]3CCCO3)cc2)c1-c1nn[n-]n1 ZINC000737663598 598240242 /nfs/dbraw/zinc/24/02/42/598240242.db2.gz JFSWUEVHUDQQLZ-AWEZNQCLSA-N -1 3 355.373 3.307 20 0 FGADHM CCN(Cc1ccc(OC)cc1OC)c1cccc(F)c1-c1nnn[n-]1 ZINC000736559035 598242949 /nfs/dbraw/zinc/24/29/49/598242949.db2.gz SWQFLTCRZQFRCQ-UHFFFAOYSA-N -1 3 357.389 3.050 20 0 FGADHM CCN(Cc1ccc(OC)cc1OC)c1cccc(F)c1-c1nn[n-]n1 ZINC000736559035 598242951 /nfs/dbraw/zinc/24/29/51/598242951.db2.gz SWQFLTCRZQFRCQ-UHFFFAOYSA-N -1 3 357.389 3.050 20 0 FGADHM CC(C)CNC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735834882 598266390 /nfs/dbraw/zinc/26/63/90/598266390.db2.gz BLNWYOFIIXXXND-UHFFFAOYSA-N -1 3 352.398 3.437 20 0 FGADHM CC(C)CNC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735834882 598266392 /nfs/dbraw/zinc/26/63/92/598266392.db2.gz BLNWYOFIIXXXND-UHFFFAOYSA-N -1 3 352.398 3.437 20 0 FGADHM C[C@@H]1C[C@H]1NC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736238821 598266625 /nfs/dbraw/zinc/26/66/25/598266625.db2.gz RRDXWNGANJMBLX-BDJLRTHQSA-N -1 3 350.382 3.189 20 0 FGADHM C[C@@H]1C[C@H]1NC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736238821 598266627 /nfs/dbraw/zinc/26/66/27/598266627.db2.gz RRDXWNGANJMBLX-BDJLRTHQSA-N -1 3 350.382 3.189 20 0 FGADHM FC(F)(F)c1ccc(NCCc2cn3ccccc3n2)cc1-c1nnn[n-]1 ZINC000822728013 607346852 /nfs/dbraw/zinc/34/68/52/607346852.db2.gz DLKJLRAEGNWJOH-UHFFFAOYSA-N -1 3 373.342 3.188 20 0 FGADHM FC(F)(F)c1ccc(NCCc2cn3ccccc3n2)cc1-c1nn[n-]n1 ZINC000822728013 607346854 /nfs/dbraw/zinc/34/68/54/607346854.db2.gz DLKJLRAEGNWJOH-UHFFFAOYSA-N -1 3 373.342 3.188 20 0 FGADHM C[C@@H](NC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C)c1cccs1 ZINC000736116176 598276420 /nfs/dbraw/zinc/27/64/20/598276420.db2.gz LFCHXFCQHWRFBM-SNVBAGLBSA-N -1 3 359.459 3.367 20 0 FGADHM C[C@@H](NC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C)c1cccs1 ZINC000736116176 598276422 /nfs/dbraw/zinc/27/64/22/598276422.db2.gz LFCHXFCQHWRFBM-SNVBAGLBSA-N -1 3 359.459 3.367 20 0 FGADHM CN(C(=O)c1cnc(C(C)(C)C)s1)c1ccc(-c2nnn[n-]2)cc1F ZINC000736740903 598279119 /nfs/dbraw/zinc/27/91/19/598279119.db2.gz JOIVKRGAMXPKEV-UHFFFAOYSA-N -1 3 360.418 3.036 20 0 FGADHM CN(C(=O)c1cnc(C(C)(C)C)s1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736740903 598279120 /nfs/dbraw/zinc/27/91/20/598279120.db2.gz JOIVKRGAMXPKEV-UHFFFAOYSA-N -1 3 360.418 3.036 20 0 FGADHM COc1c(C)cc(CN(C)C(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000737023866 598282241 /nfs/dbraw/zinc/28/22/41/598282241.db2.gz PMHGQOQJVNRRAV-UHFFFAOYSA-N -1 3 366.425 3.156 20 0 FGADHM COc1c(C)cc(CN(C)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000737023866 598282242 /nfs/dbraw/zinc/28/22/42/598282242.db2.gz PMHGQOQJVNRRAV-UHFFFAOYSA-N -1 3 366.425 3.156 20 0 FGADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1OCC1CC1 ZINC000738232973 598289973 /nfs/dbraw/zinc/28/99/73/598289973.db2.gz YSTKXZDYFDRDLG-UHFFFAOYSA-N -1 3 368.368 3.152 20 0 FGADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1OCC1CC1 ZINC000738232973 598289974 /nfs/dbraw/zinc/28/99/74/598289974.db2.gz YSTKXZDYFDRDLG-UHFFFAOYSA-N -1 3 368.368 3.152 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N(Cc1cccs1)C(C)C ZINC000737059237 598292376 /nfs/dbraw/zinc/29/23/76/598292376.db2.gz STDQWVOXFPEEHG-UHFFFAOYSA-N -1 3 372.454 3.379 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N(Cc1cccs1)C(C)C ZINC000737059237 598292378 /nfs/dbraw/zinc/29/23/78/598292378.db2.gz STDQWVOXFPEEHG-UHFFFAOYSA-N -1 3 372.454 3.379 20 0 FGADHM CC(=CC(=O)NCc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1Cl ZINC000735449856 598296505 /nfs/dbraw/zinc/29/65/05/598296505.db2.gz ULLGMSQDWGJBIG-FLIBITNWSA-N -1 3 371.803 3.379 20 0 FGADHM CC(=CC(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1Cl ZINC000735449856 598296508 /nfs/dbraw/zinc/29/65/08/598296508.db2.gz ULLGMSQDWGJBIG-FLIBITNWSA-N -1 3 371.803 3.379 20 0 FGADHM CSc1cccc(N(C)C(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)c1 ZINC000737192548 598297095 /nfs/dbraw/zinc/29/70/95/598297095.db2.gz TZQYQAKLYHELIV-LBPRGKRZSA-N -1 3 369.450 3.019 20 0 FGADHM CSc1cccc(N(C)C(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)c1 ZINC000737192548 598297098 /nfs/dbraw/zinc/29/70/98/598297098.db2.gz TZQYQAKLYHELIV-LBPRGKRZSA-N -1 3 369.450 3.019 20 0 FGADHM Cc1ccccc1N(C(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000737428712 598298126 /nfs/dbraw/zinc/29/81/26/598298126.db2.gz UDRJMJXZFNHNPU-OAHLLOKOSA-N -1 3 365.437 3.384 20 0 FGADHM C[C@H]1CCc2c(C(=O)NCc3ccc(-c4nnn[n-]4)cc3F)csc2C1 ZINC000736277663 598305827 /nfs/dbraw/zinc/30/58/27/598305827.db2.gz BCAJCAOCZUFMKZ-JTQLQIEISA-N -1 3 371.441 3.122 20 0 FGADHM C[C@H]1CCc2c(C(=O)NCc3ccc(-c4nn[n-]n4)cc3F)csc2C1 ZINC000736277663 598305829 /nfs/dbraw/zinc/30/58/29/598305829.db2.gz BCAJCAOCZUFMKZ-JTQLQIEISA-N -1 3 371.441 3.122 20 0 FGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)c1ccc(Cl)cc1Cl ZINC000738101524 598306838 /nfs/dbraw/zinc/30/68/38/598306838.db2.gz HNOPFYUEXCZSPX-UHFFFAOYSA-N -1 3 366.183 3.243 20 0 FGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)c1ccc(Cl)cc1Cl ZINC000738101524 598306839 /nfs/dbraw/zinc/30/68/39/598306839.db2.gz HNOPFYUEXCZSPX-UHFFFAOYSA-N -1 3 366.183 3.243 20 0 FGADHM CC[C@H]1CCCCN1C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736399209 598315553 /nfs/dbraw/zinc/31/55/53/598315553.db2.gz FSPDDBGVOMHZRI-NSHDSACASA-N -1 3 350.879 3.481 20 0 FGADHM CC[C@H]1CCCCN1C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736399209 598315555 /nfs/dbraw/zinc/31/55/55/598315555.db2.gz FSPDDBGVOMHZRI-NSHDSACASA-N -1 3 350.879 3.481 20 0 FGADHM Cc1ccc(Cl)cc1NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737341992 598322537 /nfs/dbraw/zinc/32/25/37/598322537.db2.gz CFQOYAKJHAKZQS-UHFFFAOYSA-N -1 3 360.780 3.289 20 0 FGADHM Cc1ccc(Cl)cc1NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737341992 598322539 /nfs/dbraw/zinc/32/25/39/598322539.db2.gz CFQOYAKJHAKZQS-UHFFFAOYSA-N -1 3 360.780 3.289 20 0 FGADHM CCC(CC)n1ccc(COC(=O)C=Cc2ccccc2-c2nnn[n-]2)n1 ZINC000820898040 607350570 /nfs/dbraw/zinc/35/05/70/607350570.db2.gz SURAOMCURWPHPG-MDZDMXLPSA-N -1 3 366.425 3.181 20 0 FGADHM CCC(CC)n1ccc(COC(=O)C=Cc2ccccc2-c2nn[n-]n2)n1 ZINC000820898040 607350571 /nfs/dbraw/zinc/35/05/71/607350571.db2.gz SURAOMCURWPHPG-MDZDMXLPSA-N -1 3 366.425 3.181 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C[C@H](C)c1ccccc1F ZINC000737057717 598365197 /nfs/dbraw/zinc/36/51/97/598365197.db2.gz ILIIZSSUJGOFGX-NSHDSACASA-N -1 3 355.373 3.147 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C[C@H](C)c1ccccc1F ZINC000737057717 598365199 /nfs/dbraw/zinc/36/51/99/598365199.db2.gz ILIIZSSUJGOFGX-NSHDSACASA-N -1 3 355.373 3.147 20 0 FGADHM Cc1oc(-c2ccsc2)nc1CC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000737549446 598380701 /nfs/dbraw/zinc/38/07/01/598380701.db2.gz XABOFUJDMGYREL-UHFFFAOYSA-N -1 3 372.435 3.134 20 0 FGADHM Cc1oc(-c2ccsc2)nc1CC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000737549446 598380702 /nfs/dbraw/zinc/38/07/02/598380702.db2.gz XABOFUJDMGYREL-UHFFFAOYSA-N -1 3 372.435 3.134 20 0 FGADHM Cn1ccc2c1cccc2C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000737612478 598381998 /nfs/dbraw/zinc/38/19/98/598381998.db2.gz KHXZXWJGKZUPBJ-UHFFFAOYSA-N -1 3 372.432 3.163 20 0 FGADHM Cn1ccc2c1cccc2C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000737612478 598381999 /nfs/dbraw/zinc/38/19/99/598381999.db2.gz KHXZXWJGKZUPBJ-UHFFFAOYSA-N -1 3 372.432 3.163 20 0 FGADHM C[C@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)COCc1ccccc1 ZINC000736026534 598390617 /nfs/dbraw/zinc/39/06/17/598390617.db2.gz PPJXWJGOTOFBDH-GFCCVEGCSA-N -1 3 358.833 3.180 20 0 FGADHM C[C@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)COCc1ccccc1 ZINC000736026534 598390620 /nfs/dbraw/zinc/39/06/20/598390620.db2.gz PPJXWJGOTOFBDH-GFCCVEGCSA-N -1 3 358.833 3.180 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)Cc1ccc(OCC(C)C)cc1 ZINC000737291779 598395866 /nfs/dbraw/zinc/39/58/66/598395866.db2.gz PRXDBCITHWGCRI-UHFFFAOYSA-N -1 3 365.437 3.391 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)Cc1ccc(OCC(C)C)cc1 ZINC000737291779 598395869 /nfs/dbraw/zinc/39/58/69/598395869.db2.gz PRXDBCITHWGCRI-UHFFFAOYSA-N -1 3 365.437 3.391 20 0 FGADHM CCC(=O)c1cccc(NC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000820842054 607356012 /nfs/dbraw/zinc/35/60/12/607356012.db2.gz IWWCLONKOCDYDB-GFCCVEGCSA-N -1 3 364.409 3.342 20 0 FGADHM CCC(=O)c1cccc(NC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000820842054 607356014 /nfs/dbraw/zinc/35/60/14/607356014.db2.gz IWWCLONKOCDYDB-GFCCVEGCSA-N -1 3 364.409 3.342 20 0 FGADHM Cc1nc(C)c([C@@H](C)N(C)C(=O)C=Cc2ccccc2-c2nnn[n-]2)s1 ZINC000737471484 598400825 /nfs/dbraw/zinc/40/08/25/598400825.db2.gz RKHUNVSRPGPOOK-BZYZDCJZSA-N -1 3 368.466 3.173 20 0 FGADHM Cc1nc(C)c([C@@H](C)N(C)C(=O)C=Cc2ccccc2-c2nn[n-]n2)s1 ZINC000737471484 598400827 /nfs/dbraw/zinc/40/08/27/598400827.db2.gz RKHUNVSRPGPOOK-BZYZDCJZSA-N -1 3 368.466 3.173 20 0 FGADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1cccc2c1ccn2C ZINC000736818682 598412983 /nfs/dbraw/zinc/41/29/83/598412983.db2.gz URDKIGZTJBEXCD-UHFFFAOYSA-N -1 3 361.409 3.022 20 0 FGADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cccc2c1ccn2C ZINC000736818682 598412984 /nfs/dbraw/zinc/41/29/84/598412984.db2.gz URDKIGZTJBEXCD-UHFFFAOYSA-N -1 3 361.409 3.022 20 0 FGADHM C[C@H](Sc1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1ccc(Cl)cc1 ZINC000736192044 598414099 /nfs/dbraw/zinc/41/40/99/598414099.db2.gz KJVURNPDIBMBSR-NSHDSACASA-N -1 3 373.869 3.317 20 0 FGADHM C[C@H](Sc1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1ccc(Cl)cc1 ZINC000736192044 598414101 /nfs/dbraw/zinc/41/41/01/598414101.db2.gz KJVURNPDIBMBSR-NSHDSACASA-N -1 3 373.869 3.317 20 0 FGADHM C[C@@H](Sc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1cccnc1Cl ZINC000736193983 598419560 /nfs/dbraw/zinc/41/95/60/598419560.db2.gz WFQAPBJVPLFFTR-SECBINFHSA-N -1 3 360.830 3.034 20 0 FGADHM C[C@@H](Sc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cccnc1Cl ZINC000736193983 598419562 /nfs/dbraw/zinc/41/95/62/598419562.db2.gz WFQAPBJVPLFFTR-SECBINFHSA-N -1 3 360.830 3.034 20 0 FGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1sccc1SC(F)F ZINC000107210317 598420125 /nfs/dbraw/zinc/42/01/25/598420125.db2.gz MJWWLLZWAZTKNT-UHFFFAOYSA-N -1 3 353.379 3.495 20 0 FGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1sccc1SC(F)F ZINC000107210317 598420127 /nfs/dbraw/zinc/42/01/27/598420127.db2.gz MJWWLLZWAZTKNT-UHFFFAOYSA-N -1 3 353.379 3.495 20 0 FGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccnc2ccccc21 ZINC000735905626 598420816 /nfs/dbraw/zinc/42/08/16/598420816.db2.gz MFTBSVYRVLAZAH-UHFFFAOYSA-N -1 3 374.404 3.454 20 0 FGADHM Cc1cc(C)cc([C@H](C)NC(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737254394 598423351 /nfs/dbraw/zinc/42/33/51/598423351.db2.gz XCOIBWOAZORFJN-GJZGRUSLSA-N -1 3 365.437 3.128 20 0 FGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCCC1CCCC1 ZINC000735875688 598427792 /nfs/dbraw/zinc/42/77/92/598427792.db2.gz ZSWDQOPZGCSONA-UHFFFAOYSA-N -1 3 356.474 3.367 20 0 FGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCC1CCCC1 ZINC000735875688 598427793 /nfs/dbraw/zinc/42/77/93/598427793.db2.gz ZSWDQOPZGCSONA-UHFFFAOYSA-N -1 3 356.474 3.367 20 0 FGADHM Cc1cc(C)cc([C@H](C)NC(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737252802 598430169 /nfs/dbraw/zinc/43/01/69/598430169.db2.gz LBEKSJFJYGLHCB-HNNXBMFYSA-N -1 3 364.453 3.386 20 0 FGADHM Cc1cc(C)cc([C@H](C)NC(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737252802 598430170 /nfs/dbraw/zinc/43/01/70/598430170.db2.gz LBEKSJFJYGLHCB-HNNXBMFYSA-N -1 3 364.453 3.386 20 0 FGADHM Cc1cc(C(=O)N(C)c2cccc(-c3nnn[n-]3)c2)cc(C)c1OC(F)F ZINC000737227418 598448748 /nfs/dbraw/zinc/44/87/48/598448748.db2.gz LIPQCPWFCWSMNK-UHFFFAOYSA-N -1 3 373.363 3.362 20 0 FGADHM Cc1cc(C(=O)N(C)c2cccc(-c3nn[n-]n3)c2)cc(C)c1OC(F)F ZINC000737227418 598448749 /nfs/dbraw/zinc/44/87/49/598448749.db2.gz LIPQCPWFCWSMNK-UHFFFAOYSA-N -1 3 373.363 3.362 20 0 FGADHM CCC(CC)(NC(=O)c1ccc(-c2nnn[n-]2)cn1)c1ccc(Cl)cc1 ZINC000736334391 598452243 /nfs/dbraw/zinc/45/22/43/598452243.db2.gz HEDPEWYRQNFMBL-UHFFFAOYSA-N -1 3 370.844 3.360 20 0 FGADHM CCC(CC)(NC(=O)c1ccc(-c2nn[n-]n2)cn1)c1ccc(Cl)cc1 ZINC000736334391 598452245 /nfs/dbraw/zinc/45/22/45/598452245.db2.gz HEDPEWYRQNFMBL-UHFFFAOYSA-N -1 3 370.844 3.360 20 0 FGADHM CC[C@@](C)(NC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000736313250 598454690 /nfs/dbraw/zinc/45/46/90/598454690.db2.gz GWYWBQWPWUSXMI-JLTOFOAXSA-N -1 3 365.437 3.076 20 0 FGADHM Fc1cccc(N2CCC[C@@H]2c2cccc3c2OCCO3)c1-c1nnn[n-]1 ZINC000737661895 598459360 /nfs/dbraw/zinc/45/93/60/598459360.db2.gz RDXVLXLDLMKBDX-CQSZACIVSA-N -1 3 367.384 3.119 20 0 FGADHM Fc1cccc(N2CCC[C@@H]2c2cccc3c2OCCO3)c1-c1nn[n-]n1 ZINC000737661895 598459362 /nfs/dbraw/zinc/45/93/62/598459362.db2.gz RDXVLXLDLMKBDX-CQSZACIVSA-N -1 3 367.384 3.119 20 0 FGADHM CC1(C)CO[C@H](c2ccccc2)CN1Cc1cc(-c2nn[n-]n2)ccc1F ZINC000736213073 598462611 /nfs/dbraw/zinc/46/26/11/598462611.db2.gz FMQXVWQSRDFBBC-SFHVURJKSA-N -1 3 367.428 3.358 20 0 FGADHM C[C@H](OC(=O)c1cc(-c2ccccc2)no1)c1cccc(-c2nnn[n-]2)c1 ZINC000736158666 598484017 /nfs/dbraw/zinc/48/40/17/598484017.db2.gz IJXGYEWJFKDDBO-LBPRGKRZSA-N -1 3 361.361 3.440 20 0 FGADHM C[C@H](OC(=O)c1cc(-c2ccccc2)no1)c1cccc(-c2nn[n-]n2)c1 ZINC000736158666 598484018 /nfs/dbraw/zinc/48/40/18/598484018.db2.gz IJXGYEWJFKDDBO-LBPRGKRZSA-N -1 3 361.361 3.440 20 0 FGADHM C[C@H](Cc1ccc(F)cc1)C(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000736056884 598484288 /nfs/dbraw/zinc/48/42/88/598484288.db2.gz SEXMDZXDQGXMMB-OLZOCXBDSA-N -1 3 354.385 3.489 20 0 FGADHM C[C@H](Cc1ccc(F)cc1)C(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000736056884 598484290 /nfs/dbraw/zinc/48/42/90/598484290.db2.gz SEXMDZXDQGXMMB-OLZOCXBDSA-N -1 3 354.385 3.489 20 0 FGADHM COc1ccc(SCC(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737114656 598486274 /nfs/dbraw/zinc/48/62/74/598486274.db2.gz IOHIRZRIJNURAO-LBPRGKRZSA-N -1 3 370.434 3.272 20 0 FGADHM COc1ccc(SCC(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737114656 598486275 /nfs/dbraw/zinc/48/62/75/598486275.db2.gz IOHIRZRIJNURAO-LBPRGKRZSA-N -1 3 370.434 3.272 20 0 FGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)c1cccc2c1CCC2 ZINC000735662271 598488083 /nfs/dbraw/zinc/48/80/83/598488083.db2.gz UAXJGTJEDVXVFT-UHFFFAOYSA-N -1 3 350.426 3.164 20 0 FGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)c1cccc2c1CCC2 ZINC000735662271 598488085 /nfs/dbraw/zinc/48/80/85/598488085.db2.gz UAXJGTJEDVXVFT-UHFFFAOYSA-N -1 3 350.426 3.164 20 0 FGADHM Cc1nc(CC(C)C)sc1C(=O)N(C)c1cccc(-c2nnn[n-]2)c1 ZINC000737474428 598498880 /nfs/dbraw/zinc/49/88/80/598498880.db2.gz OMCXEMSLXZZWDQ-UHFFFAOYSA-N -1 3 356.455 3.107 20 0 FGADHM Cc1nc(CC(C)C)sc1C(=O)N(C)c1cccc(-c2nn[n-]n2)c1 ZINC000737474428 598498882 /nfs/dbraw/zinc/49/88/82/598498882.db2.gz OMCXEMSLXZZWDQ-UHFFFAOYSA-N -1 3 356.455 3.107 20 0 FGADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N(CC1CC1)C1CCCCC1 ZINC000736163971 598499617 /nfs/dbraw/zinc/49/96/17/598499617.db2.gz LPSXAXFKKGTNJB-AWEZNQCLSA-N -1 3 369.469 3.205 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)c1csc(-c2ccoc2)n1 ZINC000738236035 598513667 /nfs/dbraw/zinc/51/36/67/598513667.db2.gz PYPPSGPGEGWESA-UHFFFAOYSA-N -1 3 371.353 3.079 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)c1csc(-c2ccoc2)n1 ZINC000738236035 598513668 /nfs/dbraw/zinc/51/36/68/598513668.db2.gz PYPPSGPGEGWESA-UHFFFAOYSA-N -1 3 371.353 3.079 20 0 FGADHM CCc1c(C)sc(NC(=O)c2cccc(N(C)C)c2)c1-c1nnn[n-]1 ZINC000736676290 598519288 /nfs/dbraw/zinc/51/92/88/598519288.db2.gz QOZMNJHAUTURNG-UHFFFAOYSA-N -1 3 356.455 3.117 20 0 FGADHM CCc1c(C)sc(NC(=O)c2cccc(N(C)C)c2)c1-c1nn[n-]n1 ZINC000736676290 598519289 /nfs/dbraw/zinc/51/92/89/598519289.db2.gz QOZMNJHAUTURNG-UHFFFAOYSA-N -1 3 356.455 3.117 20 0 FGADHM CCc1c(C)sc(NC(=O)COc2c(C)cccc2C)c1-c1nnn[n-]1 ZINC000736676957 598519291 /nfs/dbraw/zinc/51/92/91/598519291.db2.gz XBNVTDZTPLSKRS-UHFFFAOYSA-N -1 3 371.466 3.433 20 0 FGADHM CCc1c(C)sc(NC(=O)COc2c(C)cccc2C)c1-c1nn[n-]n1 ZINC000736676957 598519292 /nfs/dbraw/zinc/51/92/92/598519292.db2.gz XBNVTDZTPLSKRS-UHFFFAOYSA-N -1 3 371.466 3.433 20 0 FGADHM CCC[C@H](Cc1ccccc1)NC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000736425606 598527104 /nfs/dbraw/zinc/52/71/04/598527104.db2.gz KETNCOIUCOKHJW-QGZVFWFLSA-N -1 3 350.426 3.400 20 0 FGADHM CCC[C@H](Cc1ccccc1)NC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000736425606 598527105 /nfs/dbraw/zinc/52/71/05/598527105.db2.gz KETNCOIUCOKHJW-QGZVFWFLSA-N -1 3 350.426 3.400 20 0 FGADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)[C@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000738113145 598533753 /nfs/dbraw/zinc/53/37/53/598533753.db2.gz VKXNDDSNTJJOPS-PMACEKPBSA-N -1 3 369.428 3.440 20 0 FGADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)[C@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000738113145 598533755 /nfs/dbraw/zinc/53/37/55/598533755.db2.gz VKXNDDSNTJJOPS-PMACEKPBSA-N -1 3 369.428 3.440 20 0 FGADHM CSCCc1ccc(NC(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737181122 598535174 /nfs/dbraw/zinc/53/51/74/598535174.db2.gz HGJFFQVBBCGSIB-UHFFFAOYSA-N -1 3 368.466 3.094 20 0 FGADHM CSCCc1ccc(NC(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737181122 598535176 /nfs/dbraw/zinc/53/51/76/598535176.db2.gz HGJFFQVBBCGSIB-UHFFFAOYSA-N -1 3 368.466 3.094 20 0 FGADHM CC(C)[C@H](C)N(C)C(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000735704095 598538371 /nfs/dbraw/zinc/53/83/71/598538371.db2.gz ZRKKZNRBZKQBRU-ZDUSSCGKSA-N -1 3 369.425 3.155 20 0 FGADHM CC(C)[C@H](C)N(C)C(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000735704095 598538373 /nfs/dbraw/zinc/53/83/73/598538373.db2.gz ZRKKZNRBZKQBRU-ZDUSSCGKSA-N -1 3 369.425 3.155 20 0 FGADHM CC(C)[C@@H](C)N(C)C(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000735701842 598538749 /nfs/dbraw/zinc/53/87/49/598538749.db2.gz MXOSBLJGHGPLTO-CYBMUJFWSA-N -1 3 369.425 3.155 20 0 FGADHM O=C(Nc1cc(C(F)(F)F)ccc1F)c1sccc1-c1nnn[n-]1 ZINC000738144909 598542674 /nfs/dbraw/zinc/54/26/74/598542674.db2.gz HPJUJMMEVUBBPE-UHFFFAOYSA-N -1 3 357.292 3.338 20 0 FGADHM O=C(Nc1cc(C(F)(F)F)ccc1F)c1sccc1-c1nn[n-]n1 ZINC000738144909 598542675 /nfs/dbraw/zinc/54/26/75/598542675.db2.gz HPJUJMMEVUBBPE-UHFFFAOYSA-N -1 3 357.292 3.338 20 0 FGADHM C[C@H](C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C)c1ccccc1F ZINC000735550893 598552923 /nfs/dbraw/zinc/55/29/23/598552923.db2.gz MRBTYJRICVVTKB-NSHDSACASA-N -1 3 356.405 3.305 20 0 FGADHM C[C@H](C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C)c1ccccc1F ZINC000735550893 598552924 /nfs/dbraw/zinc/55/29/24/598552924.db2.gz MRBTYJRICVVTKB-NSHDSACASA-N -1 3 356.405 3.305 20 0 FGADHM O=C(Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)[C@@H]1CCCOC1 ZINC000738173987 598555742 /nfs/dbraw/zinc/55/57/42/598555742.db2.gz WQSIBUBWRLEVPQ-CQSZACIVSA-N -1 3 365.393 3.024 20 0 FGADHM O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)[C@@H]1CCCOC1 ZINC000738173987 598555744 /nfs/dbraw/zinc/55/57/44/598555744.db2.gz WQSIBUBWRLEVPQ-CQSZACIVSA-N -1 3 365.393 3.024 20 0 FGADHM O=C(OCC1CCCC1)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000738221443 598558185 /nfs/dbraw/zinc/55/81/85/598558185.db2.gz WQYVMLBCRLUXDZ-UHFFFAOYSA-N -1 3 368.393 3.386 20 0 FGADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1cc(F)ccc1Cl ZINC000736817683 598558514 /nfs/dbraw/zinc/55/85/14/598558514.db2.gz GLUVDJSRZDSMRH-UHFFFAOYSA-N -1 3 360.780 3.323 20 0 FGADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cc(F)ccc1Cl ZINC000736817683 598558515 /nfs/dbraw/zinc/55/85/15/598558515.db2.gz GLUVDJSRZDSMRH-UHFFFAOYSA-N -1 3 360.780 3.323 20 0 FGADHM CCC[C@@H](C)N(C)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000736424406 598560561 /nfs/dbraw/zinc/56/05/61/598560561.db2.gz RCGGNHKZAJYLHT-SECBINFHSA-N -1 3 354.361 3.120 20 0 FGADHM CCC[C@@H](C)N(C)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000736424406 598560562 /nfs/dbraw/zinc/56/05/62/598560562.db2.gz RCGGNHKZAJYLHT-SECBINFHSA-N -1 3 354.361 3.120 20 0 FGADHM O=C(NCCC1CCCC1)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000738054766 598562699 /nfs/dbraw/zinc/56/26/99/598562699.db2.gz IAICDEMGWPYJME-UHFFFAOYSA-N -1 3 366.372 3.170 20 0 FGADHM O=C(NCCC1CCCC1)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000738054766 598562701 /nfs/dbraw/zinc/56/27/01/598562701.db2.gz IAICDEMGWPYJME-UHFFFAOYSA-N -1 3 366.372 3.170 20 0 FGADHM CCOc1ncccc1CNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000736657941 598572873 /nfs/dbraw/zinc/57/28/73/598572873.db2.gz ZUVGZLWNUZENQB-UHFFFAOYSA-N -1 3 364.331 3.291 20 0 FGADHM CCOc1ncccc1CNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000736657941 598572874 /nfs/dbraw/zinc/57/28/74/598572874.db2.gz ZUVGZLWNUZENQB-UHFFFAOYSA-N -1 3 364.331 3.291 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1csc(Br)c1 ZINC000738166787 598586711 /nfs/dbraw/zinc/58/67/11/598586711.db2.gz VOLLOTVECASISH-UHFFFAOYSA-N -1 3 368.191 3.082 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1csc(Br)c1 ZINC000738166787 598586713 /nfs/dbraw/zinc/58/67/13/598586713.db2.gz VOLLOTVECASISH-UHFFFAOYSA-N -1 3 368.191 3.082 20 0 FGADHM COc1ccc(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c2ccccc12 ZINC000737072036 598589163 /nfs/dbraw/zinc/58/91/63/598589163.db2.gz OGJTYDJYMLIVNH-UHFFFAOYSA-N -1 3 363.352 3.420 20 0 FGADHM COc1ccc(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c2ccccc12 ZINC000737072036 598589165 /nfs/dbraw/zinc/58/91/65/598589165.db2.gz OGJTYDJYMLIVNH-UHFFFAOYSA-N -1 3 363.352 3.420 20 0 FGADHM Cc1cc(OCC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)ccc1C(C)C ZINC000737279223 598590695 /nfs/dbraw/zinc/59/06/95/598590695.db2.gz OMWWHJQTRDZDEF-UHFFFAOYSA-N -1 3 369.400 3.455 20 0 FGADHM Cc1cc(OCC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)ccc1C(C)C ZINC000737279223 598590696 /nfs/dbraw/zinc/59/06/96/598590696.db2.gz OMWWHJQTRDZDEF-UHFFFAOYSA-N -1 3 369.400 3.455 20 0 FGADHM COc1ccccc1-c1noc(CSc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000737136987 598607383 /nfs/dbraw/zinc/60/73/83/598607383.db2.gz BBVVQOIYIIAVBK-UHFFFAOYSA-N -1 3 366.406 3.218 20 0 FGADHM COc1ccccc1-c1noc(CSc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737136987 598607385 /nfs/dbraw/zinc/60/73/85/598607385.db2.gz BBVVQOIYIIAVBK-UHFFFAOYSA-N -1 3 366.406 3.218 20 0 FGADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)c1nc(-c2ccc(F)c(F)c2)no1 ZINC000736170886 598609731 /nfs/dbraw/zinc/60/97/31/598609731.db2.gz YUCVNQWCSUVPGH-VIFPVBQESA-N -1 3 370.319 3.335 20 0 FGADHM C[C@H](CNC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC000736019007 598623914 /nfs/dbraw/zinc/62/39/14/598623914.db2.gz YHYMWHZKSSIFMY-SNVBAGLBSA-N -1 3 358.352 3.070 20 0 FGADHM C[C@H](CNC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC000736019007 598623916 /nfs/dbraw/zinc/62/39/16/598623916.db2.gz YHYMWHZKSSIFMY-SNVBAGLBSA-N -1 3 358.352 3.070 20 0 FGADHM C[C@H]1C[C@H]1c1ccc(CNC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)o1 ZINC000736235261 598628514 /nfs/dbraw/zinc/62/85/14/598628514.db2.gz FHMJADWOPGJQAX-JOYOIKCWSA-N -1 3 356.361 3.044 20 0 FGADHM C[C@H]1C[C@H]1c1ccc(CNC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)o1 ZINC000736235261 598628515 /nfs/dbraw/zinc/62/85/15/598628515.db2.gz FHMJADWOPGJQAX-JOYOIKCWSA-N -1 3 356.361 3.044 20 0 FGADHM CN(C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)[C@H]1CCc2ccccc21 ZINC000736750463 598630897 /nfs/dbraw/zinc/63/08/97/598630897.db2.gz YIIUUQJTJZKGJP-INIZCTEOSA-N -1 3 352.373 3.157 20 0 FGADHM CN(C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)[C@H]1CCc2ccccc21 ZINC000736750463 598630898 /nfs/dbraw/zinc/63/08/98/598630898.db2.gz YIIUUQJTJZKGJP-INIZCTEOSA-N -1 3 352.373 3.157 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N1CCC[C@@H]1c1ccccc1 ZINC000738162159 598633336 /nfs/dbraw/zinc/63/33/36/598633336.db2.gz JLFHFWPUZXBEEB-MRXNPFEDSA-N -1 3 352.373 3.375 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N1CCC[C@@H]1c1ccccc1 ZINC000738162159 598633337 /nfs/dbraw/zinc/63/33/37/598633337.db2.gz JLFHFWPUZXBEEB-MRXNPFEDSA-N -1 3 352.373 3.375 20 0 FGADHM Clc1ccc(-c2nnn[n-]2)c(NCc2ccc(N3CCCC3)nc2)c1 ZINC000737570431 598633723 /nfs/dbraw/zinc/63/37/23/598633723.db2.gz HHYXFMCVOJBXOY-UHFFFAOYSA-N -1 3 355.833 3.127 20 0 FGADHM Clc1ccc(-c2nn[n-]n2)c(NCc2ccc(N3CCCC3)nc2)c1 ZINC000737570431 598633725 /nfs/dbraw/zinc/63/37/25/598633725.db2.gz HHYXFMCVOJBXOY-UHFFFAOYSA-N -1 3 355.833 3.127 20 0 FGADHM COc1ccc(CN(C)C(=S)Nc2ccccc2-c2nnn[n-]2)cc1C ZINC000737090014 598646252 /nfs/dbraw/zinc/64/62/52/598646252.db2.gz DOLSKJLQDMYXBZ-UHFFFAOYSA-N -1 3 368.466 3.013 20 0 FGADHM COc1ccc(CN(C)C(=S)Nc2ccccc2-c2nn[n-]n2)cc1C ZINC000737090014 598646254 /nfs/dbraw/zinc/64/62/54/598646254.db2.gz DOLSKJLQDMYXBZ-UHFFFAOYSA-N -1 3 368.466 3.013 20 0 FGADHM C[C@@H]1CCCCN1C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000736266498 598646417 /nfs/dbraw/zinc/64/64/17/598646417.db2.gz IOWRLOTYXDMUFA-CYBMUJFWSA-N -1 3 364.409 3.069 20 0 FGADHM C[C@@H]1CCCCN1C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000736266498 598646418 /nfs/dbraw/zinc/64/64/18/598646418.db2.gz IOWRLOTYXDMUFA-CYBMUJFWSA-N -1 3 364.409 3.069 20 0 FGADHM Cc1sc(NC(=O)c2cc(F)c(F)c(F)c2)c(-c2nnn[n-]2)c1C ZINC000737566296 598647653 /nfs/dbraw/zinc/64/76/53/598647653.db2.gz YZQQDLMZZGJGPG-UHFFFAOYSA-N -1 3 353.329 3.215 20 0 FGADHM Cc1sc(NC(=O)c2cc(F)c(F)c(F)c2)c(-c2nn[n-]n2)c1C ZINC000737566296 598647655 /nfs/dbraw/zinc/64/76/55/598647655.db2.gz YZQQDLMZZGJGPG-UHFFFAOYSA-N -1 3 353.329 3.215 20 0 FGADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCC2)c1cc(F)c(F)c(F)c1 ZINC000738211938 598647802 /nfs/dbraw/zinc/64/78/02/598647802.db2.gz UYOYHFCQARFBGQ-UHFFFAOYSA-N -1 3 365.340 3.087 20 0 FGADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCC2)c1cc(F)c(F)c(F)c1 ZINC000738211938 598647804 /nfs/dbraw/zinc/64/78/04/598647804.db2.gz UYOYHFCQARFBGQ-UHFFFAOYSA-N -1 3 365.340 3.087 20 0 FGADHM C[C@H]1CCC[C@@H](NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)C1 ZINC000736254464 598649605 /nfs/dbraw/zinc/64/96/05/598649605.db2.gz RVCCRTSKEUGUCY-GOEBONIOSA-N -1 3 357.458 3.111 20 0 FGADHM C[C@H]1CCC[C@@H](NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)C1 ZINC000736254464 598649607 /nfs/dbraw/zinc/64/96/07/598649607.db2.gz RVCCRTSKEUGUCY-GOEBONIOSA-N -1 3 357.458 3.111 20 0 FGADHM CC[C@@H](Sc1ccccc1)C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000736390790 598649965 /nfs/dbraw/zinc/64/99/65/598649965.db2.gz KEASCHQROLJXPK-MRXNPFEDSA-N -1 3 353.451 3.054 20 0 FGADHM CC[C@@H](Sc1ccccc1)C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000736390790 598649966 /nfs/dbraw/zinc/64/99/66/598649966.db2.gz KEASCHQROLJXPK-MRXNPFEDSA-N -1 3 353.451 3.054 20 0 FGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N1CCCCc2ccccc21 ZINC000737943684 598654583 /nfs/dbraw/zinc/65/45/83/598654583.db2.gz UUSVXXWTVWZRGH-UHFFFAOYSA-N -1 3 365.462 3.328 20 0 FGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N1CCCCc2ccccc21 ZINC000737943684 598654585 /nfs/dbraw/zinc/65/45/85/598654585.db2.gz UUSVXXWTVWZRGH-UHFFFAOYSA-N -1 3 365.462 3.328 20 0 FGADHM COc1ccccc1[C@@H](C)CC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737143294 598660357 /nfs/dbraw/zinc/66/03/57/598660357.db2.gz TZEKICQSTVIAGJ-NSHDSACASA-N -1 3 355.373 3.147 20 0 FGADHM COc1ccccc1[C@@H](C)CC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737143294 598660359 /nfs/dbraw/zinc/66/03/59/598660359.db2.gz TZEKICQSTVIAGJ-NSHDSACASA-N -1 3 355.373 3.147 20 0 FGADHM CC(C)[C@H]1CCCC[C@H]1NC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000735749094 598661574 /nfs/dbraw/zinc/66/15/74/598661574.db2.gz MLBRUJJUMGDXKV-IAGOWNOFSA-N -1 3 373.526 3.431 20 0 FGADHM CC(C)[C@H]1CCCC[C@H]1NC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000735749094 598661576 /nfs/dbraw/zinc/66/15/76/598661576.db2.gz MLBRUJJUMGDXKV-IAGOWNOFSA-N -1 3 373.526 3.431 20 0 FGADHM Cc1ccc(C(C)(C)CNC(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000737318594 598661949 /nfs/dbraw/zinc/66/19/49/598661949.db2.gz WJTHZADIAJHRFM-JLHYYAGUSA-N -1 3 361.449 3.282 20 0 FGADHM Cc1ccc(C(C)(C)CNC(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000737318594 598661951 /nfs/dbraw/zinc/66/19/51/598661951.db2.gz WJTHZADIAJHRFM-JLHYYAGUSA-N -1 3 361.449 3.282 20 0 FGADHM CC(C)C[C@H](C)Oc1cc(CNc2ncccc2-c2nnn[n-]2)ccn1 ZINC000735761632 598675030 /nfs/dbraw/zinc/67/50/30/598675030.db2.gz OOFIOVMAVMPWCB-ZDUSSCGKSA-N -1 3 353.430 3.082 20 0 FGADHM CC(C)C[C@H](C)Oc1cc(CNc2ncccc2-c2nn[n-]n2)ccn1 ZINC000735761632 598675032 /nfs/dbraw/zinc/67/50/32/598675032.db2.gz OOFIOVMAVMPWCB-ZDUSSCGKSA-N -1 3 353.430 3.082 20 0 FGADHM CC(C)C[C@@H]1CCCN1C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000735794704 598686110 /nfs/dbraw/zinc/68/61/10/598686110.db2.gz BKVSDCMLIFHIPH-KRWDZBQOSA-N -1 3 371.485 3.453 20 0 FGADHM CC(C)C[C@@H]1CCCN1C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000735794704 598686111 /nfs/dbraw/zinc/68/61/11/598686111.db2.gz BKVSDCMLIFHIPH-KRWDZBQOSA-N -1 3 371.485 3.453 20 0 FGADHM Cc1cccc(NC(=O)CSCc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000737397973 598696610 /nfs/dbraw/zinc/69/66/10/598696610.db2.gz DERYUKDPYZDDBI-UHFFFAOYSA-N -1 3 357.414 3.186 20 0 FGADHM Cc1cccc(NC(=O)CSCc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000737397973 598696611 /nfs/dbraw/zinc/69/66/11/598696611.db2.gz DERYUKDPYZDDBI-UHFFFAOYSA-N -1 3 357.414 3.186 20 0 FGADHM Cc1cccc2[nH]cc(CCNC(=O)Nc3cccc(-c4nnn[n-]4)c3)c21 ZINC000737407772 598699556 /nfs/dbraw/zinc/69/95/56/598699556.db2.gz GHDQTDRUZYXEHA-UHFFFAOYSA-N -1 3 361.409 3.021 20 0 FGADHM Cc1cccc2[nH]cc(CCNC(=O)Nc3cccc(-c4nn[n-]n4)c3)c21 ZINC000737407772 598699557 /nfs/dbraw/zinc/69/95/57/598699557.db2.gz GHDQTDRUZYXEHA-UHFFFAOYSA-N -1 3 361.409 3.021 20 0 FGADHM Cc1ccccc1C(C)(C)C(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737415196 598710757 /nfs/dbraw/zinc/71/07/57/598710757.db2.gz MGFUKOCTRPMZBL-UHFFFAOYSA-N -1 3 354.385 3.335 20 0 FGADHM Cc1ccccc1C(C)(C)C(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737415196 598710758 /nfs/dbraw/zinc/71/07/58/598710758.db2.gz MGFUKOCTRPMZBL-UHFFFAOYSA-N -1 3 354.385 3.335 20 0 FGADHM C[C@@H](OC(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1cccc(F)c1 ZINC000736155078 598713533 /nfs/dbraw/zinc/71/35/33/598713533.db2.gz GWHRYUWJLJBZNP-LLVKDONJSA-N -1 3 358.398 3.402 20 0 FGADHM C[C@@H](OC(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1cccc(F)c1 ZINC000736155078 598713535 /nfs/dbraw/zinc/71/35/35/598713535.db2.gz GWHRYUWJLJBZNP-LLVKDONJSA-N -1 3 358.398 3.402 20 0 FGADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)N[C@H]1CCC[C@H]1c1ccccc1 ZINC000738117944 598716733 /nfs/dbraw/zinc/71/67/33/598716733.db2.gz ZOMAQQRKLPQJKK-ROUUACIJSA-N -1 3 362.437 3.002 20 0 FGADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)N[C@H]1CCC[C@H]1c1ccccc1 ZINC000738117944 598716735 /nfs/dbraw/zinc/71/67/35/598716735.db2.gz ZOMAQQRKLPQJKK-ROUUACIJSA-N -1 3 362.437 3.002 20 0 FGADHM CC(C)[C@@H]1CCCC[C@H]1NC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000735749042 598726757 /nfs/dbraw/zinc/72/67/57/598726757.db2.gz LJHFJZJSEDWBID-DLBZAZTESA-N -1 3 356.474 3.223 20 0 FGADHM CC(C)[C@@H]1CCCC[C@H]1NC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000735749042 598726758 /nfs/dbraw/zinc/72/67/58/598726758.db2.gz LJHFJZJSEDWBID-DLBZAZTESA-N -1 3 356.474 3.223 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)C(C)(C)c1ccccc1Cl ZINC000737026378 598735021 /nfs/dbraw/zinc/73/50/21/598735021.db2.gz RECOQUXFXRXRMS-UHFFFAOYSA-N -1 3 372.812 3.412 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)C(C)(C)c1ccccc1Cl ZINC000737026378 598735022 /nfs/dbraw/zinc/73/50/22/598735022.db2.gz RECOQUXFXRXRMS-UHFFFAOYSA-N -1 3 372.812 3.412 20 0 FGADHM O=C(CCSc1ccc(-c2nnn[n-]2)cc1)Nc1cc(F)cc(F)c1 ZINC000737850438 598735088 /nfs/dbraw/zinc/73/50/88/598735088.db2.gz YDFFTLZYYSVJTJ-UHFFFAOYSA-N -1 3 361.377 3.266 20 0 FGADHM O=C(CCSc1ccc(-c2nn[n-]n2)cc1)Nc1cc(F)cc(F)c1 ZINC000737850438 598735089 /nfs/dbraw/zinc/73/50/89/598735089.db2.gz YDFFTLZYYSVJTJ-UHFFFAOYSA-N -1 3 361.377 3.266 20 0 FGADHM Cc1cc(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)ccc1F ZINC000737235315 598736813 /nfs/dbraw/zinc/73/68/13/598736813.db2.gz UUPGUOYTBMXWDW-UHFFFAOYSA-N -1 3 353.401 3.365 20 0 FGADHM Cc1cc(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)ccc1F ZINC000737235315 598736814 /nfs/dbraw/zinc/73/68/14/598736814.db2.gz UUPGUOYTBMXWDW-UHFFFAOYSA-N -1 3 353.401 3.365 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(C)(C)c1ccccc1Cl ZINC000737057711 598737423 /nfs/dbraw/zinc/73/74/23/598737423.db2.gz IKXUSQCDVSBGLS-UHFFFAOYSA-N -1 3 371.828 3.445 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(C)(C)c1ccccc1Cl ZINC000737057711 598737424 /nfs/dbraw/zinc/73/74/24/598737424.db2.gz IKXUSQCDVSBGLS-UHFFFAOYSA-N -1 3 371.828 3.445 20 0 FGADHM CCCC[C@@H](CC)C(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736439077 598745243 /nfs/dbraw/zinc/74/52/43/598745243.db2.gz MRNKIYLJKCGLBZ-OAHLLOKOSA-N -1 3 371.485 3.453 20 0 FGADHM Cc1nccn1-c1ccccc1CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC000737503286 598747136 /nfs/dbraw/zinc/74/71/36/598747136.db2.gz SXAGVXBZWZTUSK-UHFFFAOYSA-N -1 3 366.816 3.021 20 0 FGADHM Cc1nccn1-c1ccccc1CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC000737503286 598747137 /nfs/dbraw/zinc/74/71/37/598747137.db2.gz SXAGVXBZWZTUSK-UHFFFAOYSA-N -1 3 366.816 3.021 20 0 FGADHM C[C@H](Oc1ccccc1F)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736188193 598751111 /nfs/dbraw/zinc/75/11/11/598751111.db2.gz IUUJSEZJYMAMRA-VIFPVBQESA-N -1 3 361.764 3.065 20 0 FGADHM C[C@H](Oc1ccccc1F)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736188193 598751112 /nfs/dbraw/zinc/75/11/12/598751112.db2.gz IUUJSEZJYMAMRA-VIFPVBQESA-N -1 3 361.764 3.065 20 0 FGADHM C[C@H]1CN(C(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)CCS1 ZINC000736290394 598754563 /nfs/dbraw/zinc/75/45/63/598754563.db2.gz ITVFDFRFHFHKBG-ZDUSSCGKSA-N -1 3 365.462 3.111 20 0 FGADHM C[C@H]1CN(C(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)CCS1 ZINC000736290394 598754565 /nfs/dbraw/zinc/75/45/65/598754565.db2.gz ITVFDFRFHFHKBG-ZDUSSCGKSA-N -1 3 365.462 3.111 20 0 FGADHM Cc1nnc(Nc2cccc(Oc3ccncc3)c2)c(-c2nnn[n-]2)c1C ZINC000737532897 598756610 /nfs/dbraw/zinc/75/66/10/598756610.db2.gz MLTGNUDHMSEZDB-UHFFFAOYSA-N -1 3 360.381 3.204 20 0 FGADHM Cc1nnc(Nc2cccc(Oc3ccncc3)c2)c(-c2nn[n-]n2)c1C ZINC000737532897 598756611 /nfs/dbraw/zinc/75/66/11/598756611.db2.gz MLTGNUDHMSEZDB-UHFFFAOYSA-N -1 3 360.381 3.204 20 0 FGADHM Cc1ccccc1[C@@H](NC(=O)NCc1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000737418350 598759004 /nfs/dbraw/zinc/75/90/04/598759004.db2.gz ACWXJUQWXYWRRX-SFHVURJKSA-N -1 3 364.453 3.372 20 0 FGADHM Cc1ccccc1[C@@H](NC(=O)NCc1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000737418350 598759006 /nfs/dbraw/zinc/75/90/06/598759006.db2.gz ACWXJUQWXYWRRX-SFHVURJKSA-N -1 3 364.453 3.372 20 0 FGADHM CCCN(CC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2)C1CC1 ZINC000736469185 598766439 /nfs/dbraw/zinc/76/64/39/598766439.db2.gz ICHBTNUTTLKLCE-UHFFFAOYSA-N -1 3 374.514 3.010 20 0 FGADHM CC[C@H](CC(=O)OCCOc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000736329967 598780278 /nfs/dbraw/zinc/78/02/78/598780278.db2.gz BPQUTGFJWBANDS-OAHLLOKOSA-N -1 3 366.421 3.373 20 0 FGADHM CC(C)[C@@H](c1ccccc1)N(C)C(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC000735733445 598793946 /nfs/dbraw/zinc/79/39/46/598793946.db2.gz ANPLPGPNROTNSF-IBGZPJMESA-N -1 3 364.453 3.134 20 0 FGADHM O=C(O[C@@H]1CCSC1)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000738219009 598799595 /nfs/dbraw/zinc/79/95/95/598799595.db2.gz JXVRMLPTMMWIOR-MRXNPFEDSA-N -1 3 368.418 3.321 20 0 FGADHM O=C(O[C@@H]1CCSC1)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738219009 598799596 /nfs/dbraw/zinc/79/95/96/598799596.db2.gz JXVRMLPTMMWIOR-MRXNPFEDSA-N -1 3 368.418 3.321 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)CO[C@H]1CCCC[C@H]1C ZINC000736479536 598802375 /nfs/dbraw/zinc/80/23/75/598802375.db2.gz LKCNIMWAGQADIZ-QAPCUYQASA-N -1 3 371.485 3.201 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)CO[C@H]1CCCC[C@H]1C ZINC000736479536 598802377 /nfs/dbraw/zinc/80/23/77/598802377.db2.gz LKCNIMWAGQADIZ-QAPCUYQASA-N -1 3 371.485 3.201 20 0 FGADHM CC(C)[C@H](C)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000735703127 598803686 /nfs/dbraw/zinc/80/36/86/598803686.db2.gz RPIRSHXPXMBSEO-LBPRGKRZSA-N -1 3 352.398 3.285 20 0 FGADHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1NC(=O)c1cocn1 ZINC000737279334 598819559 /nfs/dbraw/zinc/81/95/59/598819559.db2.gz JWLMUIFKCUGEPW-UHFFFAOYSA-N -1 3 362.349 3.208 20 0 FGADHM O=C(NC[C@H]1CC=CCC1)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000823175134 599292654 /nfs/dbraw/zinc/29/26/54/599292654.db2.gz AWVUWNZCMOESLM-JTQLQIEISA-N -1 3 366.347 3.363 20 0 FGADHM O=C(NC[C@H]1CC=CCC1)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823175134 599292655 /nfs/dbraw/zinc/29/26/55/599292655.db2.gz AWVUWNZCMOESLM-JTQLQIEISA-N -1 3 366.347 3.363 20 0 FGADHM CC(C)c1cc(NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)no1 ZINC000820187809 599293523 /nfs/dbraw/zinc/29/35/23/599293523.db2.gz TUWWJNFOENVAQO-UHFFFAOYSA-N -1 3 367.413 3.175 20 0 FGADHM CC(C)c1cc(NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)no1 ZINC000820187809 599293526 /nfs/dbraw/zinc/29/35/26/599293526.db2.gz TUWWJNFOENVAQO-UHFFFAOYSA-N -1 3 367.413 3.175 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ncc(CC)s1 ZINC000821104750 599294626 /nfs/dbraw/zinc/29/46/26/599294626.db2.gz OYJLASYINLSHRR-UHFFFAOYSA-N -1 3 371.470 3.330 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ncc(CC)s1 ZINC000821104750 599294629 /nfs/dbraw/zinc/29/46/29/599294629.db2.gz OYJLASYINLSHRR-UHFFFAOYSA-N -1 3 371.470 3.330 20 0 FGADHM CCN(C(=O)c1ccc(OC(F)F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736509614 599309981 /nfs/dbraw/zinc/30/99/81/599309981.db2.gz YAAGFAGGSWIFDZ-UHFFFAOYSA-N -1 3 359.336 3.135 20 0 FGADHM CCN(C(=O)c1ccc(OC(F)F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736509614 599309978 /nfs/dbraw/zinc/30/99/78/599309978.db2.gz YAAGFAGGSWIFDZ-UHFFFAOYSA-N -1 3 359.336 3.135 20 0 FGADHM c1cc(COc2ccc(-c3nn[n-]n3)cc2)cc(-c2nc(CC3CC3)no2)c1 ZINC000823751196 599310779 /nfs/dbraw/zinc/31/07/79/599310779.db2.gz AOXRLUGCOKTBDC-UHFFFAOYSA-N -1 3 374.404 3.448 20 0 FGADHM C[C@H](c1ccc(-c2nnn[n-]2)cc1)N1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000736197614 599314616 /nfs/dbraw/zinc/31/46/16/599314616.db2.gz BCMUYQXGVCNEKZ-KZULUSFZSA-N -1 3 371.391 3.279 20 0 FGADHM C[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000736197614 599314619 /nfs/dbraw/zinc/31/46/19/599314619.db2.gz BCMUYQXGVCNEKZ-KZULUSFZSA-N -1 3 371.391 3.279 20 0 FGADHM Cc1nccc(-c2cccc(NCCOc3cccc(-c4nnn[n-]4)c3)c2)n1 ZINC000737497858 599326167 /nfs/dbraw/zinc/32/61/67/599326167.db2.gz HSZMCLIZUQBULN-UHFFFAOYSA-N -1 3 373.420 3.123 20 0 FGADHM Cc1nccc(-c2cccc(NCCOc3cccc(-c4nn[n-]n4)c3)c2)n1 ZINC000737497858 599326169 /nfs/dbraw/zinc/32/61/69/599326169.db2.gz HSZMCLIZUQBULN-UHFFFAOYSA-N -1 3 373.420 3.123 20 0 FGADHM C[C@@H](S[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)C(=O)NC1CCCCC1 ZINC000736188567 599330284 /nfs/dbraw/zinc/33/02/84/599330284.db2.gz LDDOLUSJGMUEHR-QWHCGFSZSA-N -1 3 359.499 3.498 20 0 FGADHM C[C@@H](S[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)C(=O)NC1CCCCC1 ZINC000736188567 599330287 /nfs/dbraw/zinc/33/02/87/599330287.db2.gz LDDOLUSJGMUEHR-QWHCGFSZSA-N -1 3 359.499 3.498 20 0 FGADHM c1cc(OCCNc2ccc(OCC3CC3)cc2)cc(-c2nnn[n-]2)c1 ZINC000738418447 599331878 /nfs/dbraw/zinc/33/18/78/599331878.db2.gz IDJSPRGGRHWEHQ-UHFFFAOYSA-N -1 3 351.410 3.146 20 0 FGADHM c1cc(OCCNc2ccc(OCC3CC3)cc2)cc(-c2nn[n-]n2)c1 ZINC000738418447 599331881 /nfs/dbraw/zinc/33/18/81/599331881.db2.gz IDJSPRGGRHWEHQ-UHFFFAOYSA-N -1 3 351.410 3.146 20 0 FGADHM CC(C)(C)OC(=O)Cc1cccc(NCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735623962 599332487 /nfs/dbraw/zinc/33/24/87/599332487.db2.gz OGFGPENEXALRQB-UHFFFAOYSA-N -1 3 365.437 3.363 20 0 FGADHM CC(C)(C)OC(=O)Cc1cccc(NCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735623962 599332490 /nfs/dbraw/zinc/33/24/90/599332490.db2.gz OGFGPENEXALRQB-UHFFFAOYSA-N -1 3 365.437 3.363 20 0 FGADHM C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000736236478 599343569 /nfs/dbraw/zinc/34/35/69/599343569.db2.gz JXABMSMFHZJCKB-COXVUDFISA-N -1 3 371.510 3.280 20 0 FGADHM C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000736236478 599343570 /nfs/dbraw/zinc/34/35/70/599343570.db2.gz JXABMSMFHZJCKB-COXVUDFISA-N -1 3 371.510 3.280 20 0 FGADHM Cc1ccccc1CN(C)C(=O)[C@H](C)Sc1ccccc1-c1nnn[n-]1 ZINC000822356811 599347905 /nfs/dbraw/zinc/34/79/05/599347905.db2.gz ZNBSOZQCEYDHFL-AWEZNQCLSA-N -1 3 367.478 3.314 20 0 FGADHM Cc1ccccc1CN(C)C(=O)[C@H](C)Sc1ccccc1-c1nn[n-]n1 ZINC000822356811 599347906 /nfs/dbraw/zinc/34/79/06/599347906.db2.gz ZNBSOZQCEYDHFL-AWEZNQCLSA-N -1 3 367.478 3.314 20 0 FGADHM COc1cc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)ccc1NC(C)=O ZINC000821720289 599369885 /nfs/dbraw/zinc/36/98/85/599369885.db2.gz QIDBZYFRCCJOAX-NSHDSACASA-N -1 3 352.398 3.007 20 0 FGADHM COc1cc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)ccc1NC(C)=O ZINC000821720289 599369887 /nfs/dbraw/zinc/36/98/87/599369887.db2.gz QIDBZYFRCCJOAX-NSHDSACASA-N -1 3 352.398 3.007 20 0 FGADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccc(Cl)cn1 ZINC000735832196 599371352 /nfs/dbraw/zinc/37/13/52/599371352.db2.gz XIBXUHHSMACSGK-UHFFFAOYSA-N -1 3 370.844 3.214 20 0 FGADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccc(Cl)cn1 ZINC000735832196 599371354 /nfs/dbraw/zinc/37/13/54/599371354.db2.gz XIBXUHHSMACSGK-UHFFFAOYSA-N -1 3 370.844 3.214 20 0 FGADHM CC(C)CN(C(=O)c1ccc(Cl)cn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000735817968 599371646 /nfs/dbraw/zinc/37/16/46/599371646.db2.gz HKRDPORWTCYZBK-UHFFFAOYSA-N -1 3 356.817 3.218 20 0 FGADHM CC(C)CN(C(=O)c1ccc(Cl)cn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000735817968 599371649 /nfs/dbraw/zinc/37/16/49/599371649.db2.gz HKRDPORWTCYZBK-UHFFFAOYSA-N -1 3 356.817 3.218 20 0 FGADHM Cc1cccc(Cl)c1OC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000737397522 599375038 /nfs/dbraw/zinc/37/50/38/599375038.db2.gz XCUCZMDVPHDDLW-NSHDSACASA-N -1 3 358.785 3.201 20 0 FGADHM Cc1cccc(Cl)c1OC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000737397522 599375041 /nfs/dbraw/zinc/37/50/41/599375041.db2.gz XCUCZMDVPHDDLW-NSHDSACASA-N -1 3 358.785 3.201 20 0 FGADHM C[C@H](NC(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1Cl ZINC000736112153 599378165 /nfs/dbraw/zinc/37/81/65/599378165.db2.gz QIPIMVREZDLUOP-JTQLQIEISA-N -1 3 359.792 3.079 20 0 FGADHM C[C@H](NC(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1Cl ZINC000736112153 599378168 /nfs/dbraw/zinc/37/81/68/599378168.db2.gz QIPIMVREZDLUOP-JTQLQIEISA-N -1 3 359.792 3.079 20 0 FGADHM Cc1c(Cl)ccc2c1N(C(=O)Cc1ccc(-c3nnn[n-]3)cc1)CCC2 ZINC000737214938 599382744 /nfs/dbraw/zinc/38/27/44/599382744.db2.gz AZAIOUYALWYOFT-UHFFFAOYSA-N -1 3 367.840 3.350 20 0 FGADHM Cc1c(Cl)ccc2c1N(C(=O)Cc1ccc(-c3nn[n-]n3)cc1)CCC2 ZINC000737214938 599382747 /nfs/dbraw/zinc/38/27/47/599382747.db2.gz AZAIOUYALWYOFT-UHFFFAOYSA-N -1 3 367.840 3.350 20 0 FGADHM C[C@@H](N[C@@H](C)c1nnc(-c2ccccc2)o1)c1cccc(-c2nn[n-]n2)c1 ZINC000820411258 599389674 /nfs/dbraw/zinc/38/96/74/599389674.db2.gz HPKTZFRFZZWNJY-OLZOCXBDSA-N -1 3 361.409 3.329 20 0 FGADHM C[C@H](CNc1cc(-c2nnn[n-]2)c2ccccc2n1)N1CCc2ccccc21 ZINC000736025889 599403851 /nfs/dbraw/zinc/40/38/51/599403851.db2.gz KISYORQHWBNPFE-CQSZACIVSA-N -1 3 371.448 3.278 20 0 FGADHM C[C@H](CNc1cc(-c2nn[n-]n2)c2ccccc2n1)N1CCc2ccccc21 ZINC000736025889 599403853 /nfs/dbraw/zinc/40/38/53/599403853.db2.gz KISYORQHWBNPFE-CQSZACIVSA-N -1 3 371.448 3.278 20 0 FGADHM COc1ccc(CCNc2cc(Cl)ccc2-c2nnn[n-]2)c(OC)c1 ZINC000737090959 599420019 /nfs/dbraw/zinc/42/00/19/599420019.db2.gz XNZUOUDOOPBWSN-UHFFFAOYSA-N -1 3 359.817 3.192 20 0 FGADHM COc1ccc(CCNc2cc(Cl)ccc2-c2nn[n-]n2)c(OC)c1 ZINC000737090959 599420022 /nfs/dbraw/zinc/42/00/22/599420022.db2.gz XNZUOUDOOPBWSN-UHFFFAOYSA-N -1 3 359.817 3.192 20 0 FGADHM Cc1cc(Br)cc(C)c1CNCc1ccc(-c2nnn[n-]2)o1 ZINC000822159785 599420502 /nfs/dbraw/zinc/42/05/02/599420502.db2.gz DGPUETSUVRIRKF-UHFFFAOYSA-N -1 3 362.231 3.129 20 0 FGADHM c1ccc2c(c1)nc(NCc1ccc(OCC3CC3)nc1)cc2-c1nnn[n-]1 ZINC000738432566 599423908 /nfs/dbraw/zinc/42/39/08/599423908.db2.gz HINPGQHRCLYSDH-UHFFFAOYSA-N -1 3 373.420 3.211 20 0 FGADHM c1ccc2c(c1)nc(NCc1ccc(OCC3CC3)nc1)cc2-c1nn[n-]n1 ZINC000738432566 599423910 /nfs/dbraw/zinc/42/39/10/599423910.db2.gz HINPGQHRCLYSDH-UHFFFAOYSA-N -1 3 373.420 3.211 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1CSc1nncc2ccccc21 ZINC000821752503 607377326 /nfs/dbraw/zinc/37/73/26/607377326.db2.gz NQARIQGUVLARFT-UHFFFAOYSA-N -1 3 350.407 3.111 20 0 FGADHM CCc1nccn1[C@@H]1CCCN(c2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC000736705258 599431409 /nfs/dbraw/zinc/43/14/09/599431409.db2.gz DKDWJEXZXBSSHZ-CYBMUJFWSA-N -1 3 357.849 3.121 20 0 FGADHM CC(C)Oc1cccc([C@H](O)CNc2cc(Cl)ccc2-c2nnn[n-]2)c1 ZINC000735914294 599440472 /nfs/dbraw/zinc/44/04/72/599440472.db2.gz VCCDBCZTOKDQKV-QGZVFWFLSA-N -1 3 373.844 3.453 20 0 FGADHM CC(C)Oc1cccc([C@H](O)CNc2cc(Cl)ccc2-c2nn[n-]n2)c1 ZINC000735914294 599440476 /nfs/dbraw/zinc/44/04/76/599440476.db2.gz VCCDBCZTOKDQKV-QGZVFWFLSA-N -1 3 373.844 3.453 20 0 FGADHM CC[C@H]1CCC[C@H](Nc2ccc(N3CCC(O)CC3)c(-c3nnn[n-]3)c2)C1 ZINC000820971838 599459720 /nfs/dbraw/zinc/45/97/20/599459720.db2.gz GVOVBNJMTZLKHH-GJZGRUSLSA-N -1 3 370.501 3.209 20 0 FGADHM CC[C@H]1CCC[C@H](Nc2ccc(N3CCC(O)CC3)c(-c3nn[n-]n3)c2)C1 ZINC000820971838 599459724 /nfs/dbraw/zinc/45/97/24/599459724.db2.gz GVOVBNJMTZLKHH-GJZGRUSLSA-N -1 3 370.501 3.209 20 0 FGADHM CC[C@H]1CCC[C@@H](Nc2ccc(N3CCC(O)CC3)c(-c3nnn[n-]3)c2)C1 ZINC000820971840 599460032 /nfs/dbraw/zinc/46/00/32/599460032.db2.gz GVOVBNJMTZLKHH-LSDHHAIUSA-N -1 3 370.501 3.209 20 0 FGADHM CC[C@H]1CCC[C@@H](Nc2ccc(N3CCC(O)CC3)c(-c3nn[n-]n3)c2)C1 ZINC000820971840 599460034 /nfs/dbraw/zinc/46/00/34/599460034.db2.gz GVOVBNJMTZLKHH-LSDHHAIUSA-N -1 3 370.501 3.209 20 0 FGADHM CC(C)(C(=O)NCc1ccc(-c2nnn[n-]2)cc1F)c1cccc(Cl)c1 ZINC000735580727 599465147 /nfs/dbraw/zinc/46/51/47/599465147.db2.gz GPUUAPNNWOTZDB-UHFFFAOYSA-N -1 3 373.819 3.253 20 0 FGADHM CC(C)(C(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1cccc(Cl)c1 ZINC000735580727 599465149 /nfs/dbraw/zinc/46/51/49/599465149.db2.gz GPUUAPNNWOTZDB-UHFFFAOYSA-N -1 3 373.819 3.253 20 0 FGADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCCCCC1CCCC1 ZINC000821608796 599468944 /nfs/dbraw/zinc/46/89/44/599468944.db2.gz VDLNIMPHZVMYRL-UHFFFAOYSA-N -1 3 356.474 3.369 20 0 FGADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCCCC1CCCC1 ZINC000821608796 599468948 /nfs/dbraw/zinc/46/89/48/599468948.db2.gz VDLNIMPHZVMYRL-UHFFFAOYSA-N -1 3 356.474 3.369 20 0 FGADHM C[C@H](c1ccccc1)N(C)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820342037 599470740 /nfs/dbraw/zinc/47/07/40/599470740.db2.gz SFBAQZKWIFETTN-UONOGXRCSA-N -1 3 350.426 3.330 20 0 FGADHM C[C@H](c1ccccc1)N(C)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820342037 599470742 /nfs/dbraw/zinc/47/07/42/599470742.db2.gz SFBAQZKWIFETTN-UONOGXRCSA-N -1 3 350.426 3.330 20 0 FGADHM C[C@H](NC(=O)N1CC[C@@H](c2ccccc2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820340925 599475791 /nfs/dbraw/zinc/47/57/91/599475791.db2.gz NSTAQYPQCBODNK-KBXCAEBGSA-N -1 3 362.437 3.127 20 0 FGADHM C[C@H](NC(=O)N1CC[C@@H](c2ccccc2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820340925 599475793 /nfs/dbraw/zinc/47/57/93/599475793.db2.gz NSTAQYPQCBODNK-KBXCAEBGSA-N -1 3 362.437 3.127 20 0 FGADHM Fc1ccc(NCc2ccc(N3CCCCC3)nc2)c(-c2nnn[n-]2)c1 ZINC000822782963 599481993 /nfs/dbraw/zinc/48/19/93/599481993.db2.gz NUNTVLLDBPPEER-UHFFFAOYSA-N -1 3 353.405 3.003 20 0 FGADHM Fc1ccc(NCc2ccc(N3CCCCC3)nc2)c(-c2nn[n-]n2)c1 ZINC000822782963 599481994 /nfs/dbraw/zinc/48/19/94/599481994.db2.gz NUNTVLLDBPPEER-UHFFFAOYSA-N -1 3 353.405 3.003 20 0 FGADHM C[C@H]1CN(c2c(-c3nnn[n-]3)cnc3ccccc32)C[C@H](c2ccccc2)O1 ZINC000820767311 599495323 /nfs/dbraw/zinc/49/53/23/599495323.db2.gz HXEOJPDYUHQVLC-IFXJQAMLSA-N -1 3 372.432 3.381 20 0 FGADHM C[C@H]1CN(c2c(-c3nn[n-]n3)cnc3ccccc32)C[C@H](c2ccccc2)O1 ZINC000820767311 599495326 /nfs/dbraw/zinc/49/53/26/599495326.db2.gz HXEOJPDYUHQVLC-IFXJQAMLSA-N -1 3 372.432 3.381 20 0 FGADHM C[C@@H](NC(=O)[C@@H](C)CCc1cccc(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820254205 599497834 /nfs/dbraw/zinc/49/78/34/599497834.db2.gz NQRLTYYPAMIEQZ-UONOGXRCSA-N -1 3 367.428 3.452 20 0 FGADHM C[C@@H](NC(=O)[C@@H](C)CCc1cccc(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820254205 599497836 /nfs/dbraw/zinc/49/78/36/599497836.db2.gz NQRLTYYPAMIEQZ-UONOGXRCSA-N -1 3 367.428 3.452 20 0 FGADHM C[C@H](NC(=O)c1cccc(-n2cccc2)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820397561 599500302 /nfs/dbraw/zinc/50/03/02/599500302.db2.gz QKHDNQBXOSYQFJ-AWEZNQCLSA-N -1 3 358.405 3.148 20 0 FGADHM C[C@H](NC(=O)c1cccc(-n2cccc2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820397561 599500304 /nfs/dbraw/zinc/50/03/04/599500304.db2.gz QKHDNQBXOSYQFJ-AWEZNQCLSA-N -1 3 358.405 3.148 20 0 FGADHM C[C@@H](NC(=O)C=Cc1ccc(Cl)s1)c1cccc(-c2nnn[n-]2)c1 ZINC000820322760 599502003 /nfs/dbraw/zinc/50/20/03/599502003.db2.gz VIIRTLGWCINBNL-BJPMOSCESA-N -1 3 359.842 3.472 20 0 FGADHM C[C@@H](NC(=O)C=Cc1ccc(Cl)s1)c1cccc(-c2nn[n-]n2)c1 ZINC000820322760 599502005 /nfs/dbraw/zinc/50/20/05/599502005.db2.gz VIIRTLGWCINBNL-BJPMOSCESA-N -1 3 359.842 3.472 20 0 FGADHM CN(C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)C1CC1 ZINC000736750469 599503643 /nfs/dbraw/zinc/50/36/43/599503643.db2.gz YLDKXVNTCAHINZ-UHFFFAOYSA-N -1 3 350.382 3.285 20 0 FGADHM CN(C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)C1CC1 ZINC000736750469 599503645 /nfs/dbraw/zinc/50/36/45/599503645.db2.gz YLDKXVNTCAHINZ-UHFFFAOYSA-N -1 3 350.382 3.285 20 0 FGADHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2NCCCOC1CCCC1 ZINC000822204531 599506489 /nfs/dbraw/zinc/50/64/89/599506489.db2.gz RXLKHBHYECRQKN-UHFFFAOYSA-N -1 3 370.432 3.046 20 0 FGADHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2NCCCOC1CCCC1 ZINC000822204531 599506492 /nfs/dbraw/zinc/50/64/92/599506492.db2.gz RXLKHBHYECRQKN-UHFFFAOYSA-N -1 3 370.432 3.046 20 0 FGADHM Cc1ccc(OCCCNc2c(-c3nnn[n-]3)cnc3ccccc32)cc1 ZINC000822263510 599513956 /nfs/dbraw/zinc/51/39/56/599513956.db2.gz QNVZORPWVPCSPQ-UHFFFAOYSA-N -1 3 360.421 3.026 20 0 FGADHM Cc1ccc(OCCCNc2c(-c3nn[n-]n3)cnc3ccccc32)cc1 ZINC000822263510 599513958 /nfs/dbraw/zinc/51/39/58/599513958.db2.gz QNVZORPWVPCSPQ-UHFFFAOYSA-N -1 3 360.421 3.026 20 0 FGADHM C[C@H](NC(=O)CCSc1ccccc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000820327763 599514424 /nfs/dbraw/zinc/51/44/24/599514424.db2.gz JKQWCLPSBHAKES-LBPRGKRZSA-N -1 3 371.441 3.365 20 0 FGADHM C[C@H](NC(=O)CCSc1ccccc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000820327763 599514425 /nfs/dbraw/zinc/51/44/25/599514425.db2.gz JKQWCLPSBHAKES-LBPRGKRZSA-N -1 3 371.441 3.365 20 0 FGADHM C[C@@H](NC(=O)c1ncoc1-c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820403690 599515325 /nfs/dbraw/zinc/51/53/25/599515325.db2.gz LBCKFSYQLWGTFY-GFCCVEGCSA-N -1 3 360.377 3.013 20 0 FGADHM C[C@@H](NC(=O)c1ncoc1-c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820403690 599515327 /nfs/dbraw/zinc/51/53/27/599515327.db2.gz LBCKFSYQLWGTFY-GFCCVEGCSA-N -1 3 360.377 3.013 20 0 FGADHM C[C@@H](COCC(F)(F)F)Nc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000736037341 599521756 /nfs/dbraw/zinc/52/17/56/599521756.db2.gz KLIWXPRXNHXACW-ZETCQYMHSA-N -1 3 369.269 3.265 20 0 FGADHM Cc1[nH]c2c(cccc2C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1C ZINC000822010135 599522920 /nfs/dbraw/zinc/52/29/20/599522920.db2.gz OXNNNPOAQPWVIX-CYBMUJFWSA-N -1 3 360.421 3.456 20 0 FGADHM Cc1[nH]c2c(cccc2C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1C ZINC000822010135 599522923 /nfs/dbraw/zinc/52/29/23/599522923.db2.gz OXNNNPOAQPWVIX-CYBMUJFWSA-N -1 3 360.421 3.456 20 0 FGADHM C[C@@H](NC(=O)CCc1c[nH]c2ccccc12)c1cccc(-c2nnn[n-]2)c1 ZINC000820329491 599523539 /nfs/dbraw/zinc/52/35/39/599523539.db2.gz WOSXHQBTLSUXLQ-CYBMUJFWSA-N -1 3 360.421 3.158 20 0 FGADHM C[C@@H](NC(=O)CCc1c[nH]c2ccccc12)c1cccc(-c2nn[n-]n2)c1 ZINC000820329491 599523541 /nfs/dbraw/zinc/52/35/41/599523541.db2.gz WOSXHQBTLSUXLQ-CYBMUJFWSA-N -1 3 360.421 3.158 20 0 FGADHM CCCOc1cccc(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000821133699 599524484 /nfs/dbraw/zinc/52/44/84/599524484.db2.gz FIUHDXMLDRSXQO-CYBMUJFWSA-N -1 3 351.410 3.147 20 0 FGADHM CCCOc1cccc(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000821133699 599524487 /nfs/dbraw/zinc/52/44/87/599524487.db2.gz FIUHDXMLDRSXQO-CYBMUJFWSA-N -1 3 351.410 3.147 20 0 FGADHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1NCc1ccc2c(c1)CCO2 ZINC000737627994 599525299 /nfs/dbraw/zinc/52/52/99/599525299.db2.gz SRZJQIXBOFKAPU-UHFFFAOYSA-N -1 3 361.327 3.433 20 0 FGADHM CC(C)COc1cccc(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000820102617 599527707 /nfs/dbraw/zinc/52/77/07/599527707.db2.gz DRKZIBUKTCVZGO-CQSZACIVSA-N -1 3 365.437 3.393 20 0 FGADHM CC(C)COc1cccc(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000820102617 599527710 /nfs/dbraw/zinc/52/77/10/599527710.db2.gz DRKZIBUKTCVZGO-CQSZACIVSA-N -1 3 365.437 3.393 20 0 FGADHM Cc1ccc(OCCCC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822263548 599527802 /nfs/dbraw/zinc/52/78/02/599527802.db2.gz SHOJIFNYCIPALX-HNNXBMFYSA-N -1 3 365.437 3.212 20 0 FGADHM Cc1ccc(OCCCC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822263548 599527805 /nfs/dbraw/zinc/52/78/05/599527805.db2.gz SHOJIFNYCIPALX-HNNXBMFYSA-N -1 3 365.437 3.212 20 0 FGADHM C[C@@H](NC(=O)C=Cc1ccnc2ccccc12)c1cccc(-c2nnn[n-]2)c1 ZINC000820321201 599528123 /nfs/dbraw/zinc/52/81/23/599528123.db2.gz COCDMMUCNZSSCX-ATWMFIQVSA-N -1 3 370.416 3.306 20 0 FGADHM C[C@@H](NC(=O)C=Cc1ccnc2ccccc12)c1cccc(-c2nn[n-]n2)c1 ZINC000820321201 599528128 /nfs/dbraw/zinc/52/81/28/599528128.db2.gz COCDMMUCNZSSCX-ATWMFIQVSA-N -1 3 370.416 3.306 20 0 FGADHM CC(C)n1ccc(CNc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)n1 ZINC000735966888 599531942 /nfs/dbraw/zinc/53/19/42/599531942.db2.gz ZJVQSIIECFEGNQ-UHFFFAOYSA-N -1 3 351.336 3.275 20 0 FGADHM C[C@H](C[C@@H](O)c1ccccc1)Nc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000820236239 607382681 /nfs/dbraw/zinc/38/26/81/607382681.db2.gz ZYUIUIYHSPXGRD-FZKQIMNGSA-N -1 3 360.421 3.339 20 0 FGADHM C[C@H](C[C@@H](O)c1ccccc1)Nc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000820236239 607382683 /nfs/dbraw/zinc/38/26/83/607382683.db2.gz ZYUIUIYHSPXGRD-FZKQIMNGSA-N -1 3 360.421 3.339 20 0 FGADHM C[C@H](NC(=O)c1cc(-c2cccs2)on1)c1cccc(-c2nnn[n-]2)c1 ZINC000820384483 599534450 /nfs/dbraw/zinc/53/44/50/599534450.db2.gz GKALVGUAGOUCOW-JTQLQIEISA-N -1 3 366.406 3.074 20 0 FGADHM C[C@H](NC(=O)c1cc(-c2cccs2)on1)c1cccc(-c2nn[n-]n2)c1 ZINC000820384483 599534454 /nfs/dbraw/zinc/53/44/54/599534454.db2.gz GKALVGUAGOUCOW-JTQLQIEISA-N -1 3 366.406 3.074 20 0 FGADHM CCn1cc(CC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c2ccccc21 ZINC000821565569 599539785 /nfs/dbraw/zinc/53/97/85/599539785.db2.gz ZINIIPOIFTYALU-CQSZACIVSA-N -1 3 374.448 3.261 20 0 FGADHM CCn1cc(CC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c2ccccc21 ZINC000821565569 599539787 /nfs/dbraw/zinc/53/97/87/599539787.db2.gz ZINIIPOIFTYALU-CQSZACIVSA-N -1 3 374.448 3.261 20 0 FGADHM CC(C)Oc1ccccc1C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820178244 599540569 /nfs/dbraw/zinc/54/05/69/599540569.db2.gz MMCOBLZPLNIJNB-ZDUSSCGKSA-N -1 3 351.410 3.145 20 0 FGADHM CC(C)Oc1ccccc1C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820178244 599540571 /nfs/dbraw/zinc/54/05/71/599540571.db2.gz MMCOBLZPLNIJNB-ZDUSSCGKSA-N -1 3 351.410 3.145 20 0 FGADHM Cc1c(Nc2ncc(-c3nnn[n-]3)cc2Cl)cnn1-c1ccccc1F ZINC000822130171 607383669 /nfs/dbraw/zinc/38/36/69/607383669.db2.gz QBTACJQEIOMGPR-UHFFFAOYSA-N -1 3 370.779 3.292 20 0 FGADHM Cc1c(Nc2ncc(-c3nn[n-]n3)cc2Cl)cnn1-c1ccccc1F ZINC000822130171 607383671 /nfs/dbraw/zinc/38/36/71/607383671.db2.gz QBTACJQEIOMGPR-UHFFFAOYSA-N -1 3 370.779 3.292 20 0 FGADHM COc1ccc2[nH]cc(CCNc3ccc(F)cc3-c3nnn[n-]3)c2c1 ZINC000821850210 599555558 /nfs/dbraw/zinc/55/55/58/599555558.db2.gz ZDQUPHWQMYKALK-UHFFFAOYSA-N -1 3 352.373 3.150 20 0 FGADHM COc1ccc2[nH]cc(CCNc3ccc(F)cc3-c3nn[n-]n3)c2c1 ZINC000821850210 599555561 /nfs/dbraw/zinc/55/55/61/599555561.db2.gz ZDQUPHWQMYKALK-UHFFFAOYSA-N -1 3 352.373 3.150 20 0 FGADHM CC1CCN(C(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)CC1 ZINC000736275918 599561809 /nfs/dbraw/zinc/56/18/09/599561809.db2.gz FJLRUBGBHYGCQO-UHFFFAOYSA-N -1 3 362.437 3.482 20 0 FGADHM Cc1ncc(CCNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)s1 ZINC000822467550 607383914 /nfs/dbraw/zinc/38/39/14/607383914.db2.gz OUBMWZRHWQDSJF-UHFFFAOYSA-N -1 3 354.361 3.305 20 0 FGADHM Cc1ncc(CCNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)s1 ZINC000822467550 607383915 /nfs/dbraw/zinc/38/39/15/607383915.db2.gz OUBMWZRHWQDSJF-UHFFFAOYSA-N -1 3 354.361 3.305 20 0 FGADHM CC[C@@H](OC(=O)C=Cc1ccccc1-c1nnn[n-]1)C(=O)c1ccccc1 ZINC000736384151 599605160 /nfs/dbraw/zinc/60/51/60/599605160.db2.gz VOYIQDMAHSPWKP-GZKZCVOOSA-N -1 3 362.389 3.085 20 0 FGADHM CC[C@@H](OC(=O)C=Cc1ccccc1-c1nn[n-]n1)C(=O)c1ccccc1 ZINC000736384151 599605162 /nfs/dbraw/zinc/60/51/62/599605162.db2.gz VOYIQDMAHSPWKP-GZKZCVOOSA-N -1 3 362.389 3.085 20 0 FGADHM C[C@H](OC(=O)[C@H]1C[C@@]12CCc1ccccc12)c1cccc(-c2nnn[n-]2)c1 ZINC000820489026 599621328 /nfs/dbraw/zinc/62/13/28/599621328.db2.gz YEDHXIDSJUZANU-WMHILYHISA-N -1 3 360.417 3.375 20 0 FGADHM C[C@H](OC(=O)[C@H]1C[C@@]12CCc1ccccc12)c1cccc(-c2nn[n-]n2)c1 ZINC000820489026 599621329 /nfs/dbraw/zinc/62/13/29/599621329.db2.gz YEDHXIDSJUZANU-WMHILYHISA-N -1 3 360.417 3.375 20 0 FGADHM O=C(OCc1ccccc1-c1nnn[n-]1)[C@@H]1SCCc2sccc21 ZINC000823431567 599622064 /nfs/dbraw/zinc/62/20/64/599622064.db2.gz RWAHDEJMYBFBDO-CQSZACIVSA-N -1 3 358.448 3.002 20 0 FGADHM O=C(OCc1ccccc1-c1nn[n-]n1)[C@@H]1SCCc2sccc21 ZINC000823431567 599622065 /nfs/dbraw/zinc/62/20/65/599622065.db2.gz RWAHDEJMYBFBDO-CQSZACIVSA-N -1 3 358.448 3.002 20 0 FGADHM C[C@H](CCc1cccc(F)c1)C(=O)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000820253515 599622808 /nfs/dbraw/zinc/62/28/08/599622808.db2.gz JIUJMGHHLXPDEP-CYBMUJFWSA-N -1 3 354.385 3.318 20 0 FGADHM C[C@H](CCc1cccc(F)c1)C(=O)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000820253515 599622809 /nfs/dbraw/zinc/62/28/09/599622809.db2.gz JIUJMGHHLXPDEP-CYBMUJFWSA-N -1 3 354.385 3.318 20 0 FGADHM Cc1ccc(-c2ocnc2C(=O)OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822223718 599623135 /nfs/dbraw/zinc/62/31/35/599623135.db2.gz HRVXWSZCKAFEIY-UHFFFAOYSA-N -1 3 361.361 3.187 20 0 FGADHM Cc1ccc(-c2ocnc2C(=O)OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822223718 599623136 /nfs/dbraw/zinc/62/31/36/599623136.db2.gz HRVXWSZCKAFEIY-UHFFFAOYSA-N -1 3 361.361 3.187 20 0 FGADHM CCOc1c(F)cccc1C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000821390479 599628661 /nfs/dbraw/zinc/62/86/61/599628661.db2.gz YDYQMCWZZQDMOY-UHFFFAOYSA-N -1 3 373.413 3.207 20 0 FGADHM CCOc1c(F)cccc1C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000821390479 599628662 /nfs/dbraw/zinc/62/86/62/599628662.db2.gz YDYQMCWZZQDMOY-UHFFFAOYSA-N -1 3 373.413 3.207 20 0 FGADHM C[C@H](CCc1ccccc1F)C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000820254690 599630138 /nfs/dbraw/zinc/63/01/38/599630138.db2.gz UXEHMUJBUDUMAP-GFCCVEGCSA-N -1 3 371.391 3.377 20 0 FGADHM C[C@H](CCc1ccccc1F)C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000820254690 599630139 /nfs/dbraw/zinc/63/01/39/599630139.db2.gz UXEHMUJBUDUMAP-GFCCVEGCSA-N -1 3 371.391 3.377 20 0 FGADHM C[C@@H](CCc1cccc(F)c1)C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000820254892 599630174 /nfs/dbraw/zinc/63/01/74/599630174.db2.gz ZEDRPFREMUIWDV-LBPRGKRZSA-N -1 3 371.391 3.377 20 0 FGADHM C[C@@H](CCc1cccc(F)c1)C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000820254892 599630175 /nfs/dbraw/zinc/63/01/75/599630175.db2.gz ZEDRPFREMUIWDV-LBPRGKRZSA-N -1 3 371.391 3.377 20 0 FGADHM CCCCC[C@@H](C)CC(=O)N(CCOC)c1ccc(-c2nnn[n-]2)cc1 ZINC000821042935 599632049 /nfs/dbraw/zinc/63/20/49/599632049.db2.gz JHRKMWUSANWAFS-OAHLLOKOSA-N -1 3 359.474 3.453 20 0 FGADHM CCCCC[C@@H](C)CC(=O)N(CCOC)c1ccc(-c2nn[n-]n2)cc1 ZINC000821042935 599632050 /nfs/dbraw/zinc/63/20/50/599632050.db2.gz JHRKMWUSANWAFS-OAHLLOKOSA-N -1 3 359.474 3.453 20 0 FGADHM COc1cccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c1 ZINC000821857812 599632964 /nfs/dbraw/zinc/63/29/64/599632964.db2.gz ARCDJHUHNFORHS-UHFFFAOYSA-N -1 3 363.299 3.146 20 0 FGADHM COc1cccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c1 ZINC000821857812 599632965 /nfs/dbraw/zinc/63/29/65/599632965.db2.gz ARCDJHUHNFORHS-UHFFFAOYSA-N -1 3 363.299 3.146 20 0 FGADHM CCC(C)(C)CC(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000820847798 599649588 /nfs/dbraw/zinc/64/95/88/599649588.db2.gz MFPIBZOSXGCUGY-UHFFFAOYSA-N -1 3 357.458 3.063 20 0 FGADHM CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000819908183 599667680 /nfs/dbraw/zinc/66/76/80/599667680.db2.gz XFZLGZHNJOFXPH-GOEBONIOSA-N -1 3 374.464 3.410 20 0 FGADHM CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000819908183 599667681 /nfs/dbraw/zinc/66/76/81/599667681.db2.gz XFZLGZHNJOFXPH-GOEBONIOSA-N -1 3 374.464 3.410 20 0 FGADHM C[C@@H](NC(=O)NC(C)(C)c1ccc(F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820352283 599673687 /nfs/dbraw/zinc/67/36/87/599673687.db2.gz SWZCIHPJMAKVRG-GFCCVEGCSA-N -1 3 368.416 3.301 20 0 FGADHM C[C@@H](NC(=O)NC(C)(C)c1ccc(F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820352283 599673688 /nfs/dbraw/zinc/67/36/88/599673688.db2.gz SWZCIHPJMAKVRG-GFCCVEGCSA-N -1 3 368.416 3.301 20 0 FGADHM CC[C@@](C)(NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F)c1ccccc1 ZINC000820854803 599674916 /nfs/dbraw/zinc/67/49/16/599674916.db2.gz YTDAAEBSQLPHGG-LJQANCHMSA-N -1 3 368.416 3.130 20 0 FGADHM CC[C@@](C)(NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F)c1ccccc1 ZINC000820854803 599674917 /nfs/dbraw/zinc/67/49/17/599674917.db2.gz YTDAAEBSQLPHGG-LJQANCHMSA-N -1 3 368.416 3.130 20 0 FGADHM C[C@@H](NC(=O)N(C)[C@H](C)c1cccc(O)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820341823 599680003 /nfs/dbraw/zinc/68/00/03/599680003.db2.gz SAKKFDFUTNNPLC-CHWSQXEVSA-N -1 3 366.425 3.036 20 0 FGADHM C[C@@H](NC(=O)N(C)[C@H](C)c1cccc(O)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820341823 599680004 /nfs/dbraw/zinc/68/00/04/599680004.db2.gz SAKKFDFUTNNPLC-CHWSQXEVSA-N -1 3 366.425 3.036 20 0 FGADHM Cc1nnc(NCC2CCC(C(F)(F)F)CC2)c(-c2nnn[n-]2)c1C ZINC000822515790 599689129 /nfs/dbraw/zinc/68/91/29/599689129.db2.gz OZQDXLFCRKPDKN-UHFFFAOYSA-N -1 3 355.368 3.054 20 0 FGADHM Cc1nnc(NCC2CCC(C(F)(F)F)CC2)c(-c2nn[n-]n2)c1C ZINC000822515790 599689130 /nfs/dbraw/zinc/68/91/30/599689130.db2.gz OZQDXLFCRKPDKN-UHFFFAOYSA-N -1 3 355.368 3.054 20 0 FGADHM CC[C@H]1Oc2cc([C@@H](C)Nc3ccc(-c4nn[n-]n4)cc3)ccc2NC1=O ZINC000821001912 599689171 /nfs/dbraw/zinc/68/91/71/599689171.db2.gz TUDQBNQLVNODBE-BDJLRTHQSA-N -1 3 364.409 3.149 20 0 FGADHM CC[C@H]1C[C@@H](C)CN1C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC000820967421 599692788 /nfs/dbraw/zinc/69/27/88/599692788.db2.gz ONKYDVDODVBLAX-OCCSQVGLSA-N -1 3 358.446 3.306 20 0 FGADHM CC[C@H]1C[C@@H](C)CN1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC000820967421 599692789 /nfs/dbraw/zinc/69/27/89/599692789.db2.gz ONKYDVDODVBLAX-OCCSQVGLSA-N -1 3 358.446 3.306 20 0 FGADHM Cc1cccc(NC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)c1Cl ZINC000822324005 599693875 /nfs/dbraw/zinc/69/38/75/599693875.db2.gz RYNDMSAKFQUBEH-UHFFFAOYSA-N -1 3 360.780 3.289 20 0 FGADHM Cc1cccc(NC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)c1Cl ZINC000822324005 599693876 /nfs/dbraw/zinc/69/38/76/599693876.db2.gz RYNDMSAKFQUBEH-UHFFFAOYSA-N -1 3 360.780 3.289 20 0 FGADHM O=C(CCn1cccc1)Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822986197 599696466 /nfs/dbraw/zinc/69/64/66/599696466.db2.gz ACIRUMMQSZBHNX-UHFFFAOYSA-N -1 3 359.389 3.331 20 0 FGADHM O=C(CCn1cccc1)Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822986197 599696467 /nfs/dbraw/zinc/69/64/67/599696467.db2.gz ACIRUMMQSZBHNX-UHFFFAOYSA-N -1 3 359.389 3.331 20 0 FGADHM Cc1ccc2[nH]cc(CCC(=O)N[C@@H](C)c3ccc(-c4nnn[n-]4)cc3)c2c1 ZINC000822275426 599696833 /nfs/dbraw/zinc/69/68/33/599696833.db2.gz UVAKGOKUUXHHLS-AWEZNQCLSA-N -1 3 374.448 3.466 20 0 FGADHM Cc1ccc2[nH]cc(CCC(=O)N[C@@H](C)c3ccc(-c4nn[n-]n4)cc3)c2c1 ZINC000822275426 599696834 /nfs/dbraw/zinc/69/68/34/599696834.db2.gz UVAKGOKUUXHHLS-AWEZNQCLSA-N -1 3 374.448 3.466 20 0 FGADHM Cc1ccc2[nH]cc(CCC(=O)Nc3ccc(F)c(-c4nnn[n-]4)c3)c2c1 ZINC000822274996 599699993 /nfs/dbraw/zinc/69/99/93/599699993.db2.gz MPHMZMPCBGBZTI-UHFFFAOYSA-N -1 3 364.384 3.367 20 0 FGADHM Cc1ccc2[nH]cc(CCC(=O)Nc3ccc(F)c(-c4nn[n-]n4)c3)c2c1 ZINC000822274996 599699994 /nfs/dbraw/zinc/69/99/94/599699994.db2.gz MPHMZMPCBGBZTI-UHFFFAOYSA-N -1 3 364.384 3.367 20 0 FGADHM Cc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc(-c3nnn[n-]3)cc2C)cc1C ZINC000826281527 607388786 /nfs/dbraw/zinc/38/87/86/607388786.db2.gz XCEFSZIGCFYHIO-CQSZACIVSA-N -1 3 364.405 3.220 20 0 FGADHM Cc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc(-c3nn[n-]n3)cc2C)cc1C ZINC000826281527 607388788 /nfs/dbraw/zinc/38/87/88/607388788.db2.gz XCEFSZIGCFYHIO-CQSZACIVSA-N -1 3 364.405 3.220 20 0 FGADHM Cc1cncc(C=CC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)c1 ZINC000822400197 607392495 /nfs/dbraw/zinc/39/24/95/607392495.db2.gz ZCWXIHCDRDMVNY-SREVYHEPSA-N -1 3 366.450 3.162 20 0 FGADHM Cc1cncc(C=CC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)c1 ZINC000822400197 607392497 /nfs/dbraw/zinc/39/24/97/607392497.db2.gz ZCWXIHCDRDMVNY-SREVYHEPSA-N -1 3 366.450 3.162 20 0 FGADHM Cc1ccc(NC(=O)NC[C@@H]2CCCN(Cc3ccc(C(=O)[O-])o3)C2)cc1 ZINC000738624014 599772327 /nfs/dbraw/zinc/77/23/27/599772327.db2.gz BKNDLVAQMJZOFD-HNNXBMFYSA-N -1 3 371.437 3.320 20 0 FGADHM CCN(C(=O)C=Cc1cncc(C)c1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821149290 607393320 /nfs/dbraw/zinc/39/33/20/607393320.db2.gz UYSDRKZUWUBXLX-ANOSYLROSA-N -1 3 362.437 3.193 20 0 FGADHM CCN(C(=O)C=Cc1cncc(C)c1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821149290 607393322 /nfs/dbraw/zinc/39/33/22/607393322.db2.gz UYSDRKZUWUBXLX-ANOSYLROSA-N -1 3 362.437 3.193 20 0 FGADHM CC(C)Oc1ccc(NC(=O)[C@@H](C)c2ccsc2)cc1-c1nnn[n-]1 ZINC000820160039 607399775 /nfs/dbraw/zinc/39/97/75/607399775.db2.gz DTSHIPCEWOBPOL-NSHDSACASA-N -1 3 357.439 3.458 20 0 FGADHM CC(C)Oc1ccc(NC(=O)[C@@H](C)c2ccsc2)cc1-c1nn[n-]n1 ZINC000820160039 607399777 /nfs/dbraw/zinc/39/97/77/607399777.db2.gz DTSHIPCEWOBPOL-NSHDSACASA-N -1 3 357.439 3.458 20 0 FGADHM CC(C)Oc1ccc(NC(=O)CO[C@H]2CCCC[C@@H]2C)cc1-c1nnn[n-]1 ZINC000820160051 607401608 /nfs/dbraw/zinc/40/16/08/607401608.db2.gz FHSHHAAFRDXCSR-BBRMVZONSA-N -1 3 373.457 3.188 20 0 FGADHM CC(C)Oc1ccc(NC(=O)CO[C@H]2CCCC[C@@H]2C)cc1-c1nn[n-]n1 ZINC000820160051 607401611 /nfs/dbraw/zinc/40/16/11/607401611.db2.gz FHSHHAAFRDXCSR-BBRMVZONSA-N -1 3 373.457 3.188 20 0 FGADHM CC[C@@H](Oc1ccccc1F)C(=O)OCc1ccc(-c2nnn[n-]2)cc1C ZINC000825159371 607402263 /nfs/dbraw/zinc/40/22/63/607402263.db2.gz OAIDYALNQLOKLN-MRXNPFEDSA-N -1 3 370.384 3.215 20 0 FGADHM CC[C@@H](Oc1ccccc1F)C(=O)OCc1ccc(-c2nn[n-]n2)cc1C ZINC000825159371 607402264 /nfs/dbraw/zinc/40/22/64/607402264.db2.gz OAIDYALNQLOKLN-MRXNPFEDSA-N -1 3 370.384 3.215 20 0 FGADHM Cc1ccc(F)c(C(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)c1 ZINC000822240065 607402727 /nfs/dbraw/zinc/40/27/27/607402727.db2.gz QWJZASFBXLVYFS-UHFFFAOYSA-N -1 3 355.373 3.354 20 0 FGADHM Cc1ccc(F)c(C(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)c1 ZINC000822240065 607402728 /nfs/dbraw/zinc/40/27/28/607402728.db2.gz QWJZASFBXLVYFS-UHFFFAOYSA-N -1 3 355.373 3.354 20 0 FGADHM CC(C)Oc1ccc(NC(=O)CO[C@@H]2CCC[C@H](C)C2)cc1-c1nnn[n-]1 ZINC000820698268 607402893 /nfs/dbraw/zinc/40/28/93/607402893.db2.gz SCPPZLVWKIDDLH-DZGCQCFKSA-N -1 3 373.457 3.188 20 0 FGADHM CC(C)Oc1ccc(NC(=O)CO[C@@H]2CCC[C@H](C)C2)cc1-c1nn[n-]n1 ZINC000820698268 607402894 /nfs/dbraw/zinc/40/28/94/607402894.db2.gz SCPPZLVWKIDDLH-DZGCQCFKSA-N -1 3 373.457 3.188 20 0 FGADHM CC(C)Oc1ccc(NC(=O)C=Cc2ccsc2)cc1-c1nnn[n-]1 ZINC000820160670 607403471 /nfs/dbraw/zinc/40/34/71/607403471.db2.gz PEDOYGWSMVNVCQ-ZZXKWVIFSA-N -1 3 355.423 3.367 20 0 FGADHM CC(C)Oc1ccc(NC(=O)C=Cc2ccsc2)cc1-c1nn[n-]n1 ZINC000820160670 607403473 /nfs/dbraw/zinc/40/34/73/607403473.db2.gz PEDOYGWSMVNVCQ-ZZXKWVIFSA-N -1 3 355.423 3.367 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)[C@H]1C[C@H]1c1ccc(F)cc1 ZINC000826253170 607404749 /nfs/dbraw/zinc/40/47/49/607404749.db2.gz HHRYXNZWXHVTNZ-IRXDYDNUSA-N -1 3 352.369 3.161 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)[C@H]1C[C@H]1c1ccc(F)cc1 ZINC000826253170 607404751 /nfs/dbraw/zinc/40/47/51/607404751.db2.gz HHRYXNZWXHVTNZ-IRXDYDNUSA-N -1 3 352.369 3.161 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)Cc1ccc(OC(F)F)cc1 ZINC000826254000 607406801 /nfs/dbraw/zinc/40/68/01/607406801.db2.gz OUKDNJZYFAUXHF-UHFFFAOYSA-N -1 3 374.347 3.062 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)Cc1ccc(OC(F)F)cc1 ZINC000826254000 607406803 /nfs/dbraw/zinc/40/68/03/607406803.db2.gz OUKDNJZYFAUXHF-UHFFFAOYSA-N -1 3 374.347 3.062 20 0 FGADHM COc1ccccc1[C@@H](C)CC(=O)OCc1ccc(-c2nnn[n-]2)cc1C ZINC000826218462 607407419 /nfs/dbraw/zinc/40/74/19/607407419.db2.gz CNBDBBCTGMJHFT-AWEZNQCLSA-N -1 3 366.421 3.421 20 0 FGADHM COc1ccccc1[C@@H](C)CC(=O)OCc1ccc(-c2nn[n-]n2)cc1C ZINC000826218462 607407420 /nfs/dbraw/zinc/40/74/20/607407420.db2.gz CNBDBBCTGMJHFT-AWEZNQCLSA-N -1 3 366.421 3.421 20 0 FGADHM C[C@H](CN(CC(=O)N(C)Cc1ccc(Cl)c(Cl)c1)C1CC1)C(=O)[O-] ZINC000736577575 599952644 /nfs/dbraw/zinc/95/26/44/599952644.db2.gz DBAHHZYWKFFBNG-LLVKDONJSA-N -1 3 373.280 3.137 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000826253658 607409717 /nfs/dbraw/zinc/40/97/17/607409717.db2.gz YBFADKWBJFXUQA-HOCLYGCPSA-N -1 3 370.359 3.300 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000826253658 607409718 /nfs/dbraw/zinc/40/97/18/607409718.db2.gz YBFADKWBJFXUQA-HOCLYGCPSA-N -1 3 370.359 3.300 20 0 FGADHM COc1ccc([C@H](C)CC(=O)OCc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000826187728 607410687 /nfs/dbraw/zinc/41/06/87/607410687.db2.gz CTYIPIUGYIIFDT-CQSZACIVSA-N -1 3 366.421 3.421 20 0 FGADHM COc1ccc([C@H](C)CC(=O)OCc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000826187728 607410689 /nfs/dbraw/zinc/41/06/89/607410689.db2.gz CTYIPIUGYIIFDT-CQSZACIVSA-N -1 3 366.421 3.421 20 0 FGADHM CN(CC1CCN(Cc2ccoc2C(=O)[O-])CC1)C(=O)OC(C)(C)C ZINC000737414304 600104639 /nfs/dbraw/zinc/10/46/39/600104639.db2.gz ZSPSPAFLNDQSAM-UHFFFAOYSA-N -1 3 352.431 3.057 20 0 FGADHM CC[C@]([NH2+]Cc1cc(=O)oc2c(C)c([O-])ccc12)(C(=O)[O-])c1ccccc1 ZINC000736918263 600129775 /nfs/dbraw/zinc/12/97/75/600129775.db2.gz RYMRUKRNUJNDQH-OAQYLSRUSA-N -1 3 367.401 3.287 20 0 FGADHM CC1CCC(N2CCN(C(=O)Nc3cc(C(=O)[O-])ccc3F)CC2)CC1 ZINC000736767236 600180019 /nfs/dbraw/zinc/18/00/19/600180019.db2.gz AQXYWXGTHVEUPK-UHFFFAOYSA-N -1 3 363.433 3.252 20 0 FGADHM C[C@@H](C(=O)N1CCC(CC(=O)[O-])CC1)N1CCC(Cc2ccccc2)CC1 ZINC000736202867 600248481 /nfs/dbraw/zinc/24/84/81/600248481.db2.gz AAWMXKXTWINOSC-KRWDZBQOSA-N -1 3 372.509 3.043 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(CC(F)(F)F)c1ccccc1 ZINC000826243981 607432189 /nfs/dbraw/zinc/43/21/89/607432189.db2.gz CMFJRTGDZLBWKO-UHFFFAOYSA-N -1 3 361.327 3.384 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(CC(F)(F)F)c1ccccc1 ZINC000826243981 607432191 /nfs/dbraw/zinc/43/21/91/607432191.db2.gz CMFJRTGDZLBWKO-UHFFFAOYSA-N -1 3 361.327 3.384 20 0 FGADHM CC(C)OCc1ccc(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000824314469 607434413 /nfs/dbraw/zinc/43/44/13/607434413.db2.gz BEQLDSUFMZGUHL-UHFFFAOYSA-N -1 3 351.410 3.068 20 0 FGADHM CC(C)OCc1ccc(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000824314469 607434415 /nfs/dbraw/zinc/43/44/15/607434415.db2.gz BEQLDSUFMZGUHL-UHFFFAOYSA-N -1 3 351.410 3.068 20 0 FGADHM O=C([O-])C1(NCc2nc3cc(C(F)(F)F)ccc3c(=O)[nH]2)CCCCC1 ZINC000739520663 600320932 /nfs/dbraw/zinc/32/09/32/600320932.db2.gz XRBBIGDFPMPVKH-UHFFFAOYSA-N -1 3 369.343 3.231 20 0 FGADHM CC(C)N(CCC(=O)[O-])CC[S@](=O)c1cc(Cl)ccc1Cl ZINC000736467652 600409843 /nfs/dbraw/zinc/40/98/43/600409843.db2.gz ALGNCKKAGMHXCF-NRFANRHFSA-N -1 3 352.283 3.286 20 0 FGADHM O=C([O-])Cc1ccc(NC(=O)NC[C@H]2CCCN2Cc2ccccc2)cc1 ZINC000390565645 600542687 /nfs/dbraw/zinc/54/26/87/600542687.db2.gz LPQDMKIXQXQTAF-LJQANCHMSA-N -1 3 367.449 3.100 20 0 FGADHM Cn1c2ccc(Br)cc2nc1-c1ccc(-c2nnn[n-]2)cc1F ZINC000822591898 607458418 /nfs/dbraw/zinc/45/84/18/607458418.db2.gz 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C[C@@H](OC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1)[C@@H]1CCOC1 ZINC000820512047 606181688 /nfs/dbraw/zinc/18/16/88/606181688.db2.gz GAXMBWHFCPXENC-ZIAGYGMSSA-N -1 3 364.405 3.116 20 0 FGADHM CN(C(=O)c1ccc(OC(C)(C)C)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000821574297 606185098 /nfs/dbraw/zinc/18/50/98/606185098.db2.gz AJJGSZWVQLKNRX-UHFFFAOYSA-N -1 3 369.400 3.460 20 0 FGADHM CN(C(=O)c1ccc(OC(C)(C)C)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000821574297 606185100 /nfs/dbraw/zinc/18/51/00/606185100.db2.gz AJJGSZWVQLKNRX-UHFFFAOYSA-N -1 3 369.400 3.460 20 0 FGADHM C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)cn1C)c1ccc(Cl)cc1Cl ZINC000820384848 606210224 /nfs/dbraw/zinc/21/02/24/606210224.db2.gz LXOUIJGXXAWXAO-MRVPVSSYSA-N -1 3 365.224 3.003 20 0 FGADHM C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)cn1C)c1ccc(Cl)cc1Cl ZINC000820384848 606210225 /nfs/dbraw/zinc/21/02/25/606210225.db2.gz LXOUIJGXXAWXAO-MRVPVSSYSA-N -1 3 365.224 3.003 20 0 FGADHM Cc1ccc(-c2nc(CNCc3cc(-c4nnn[n-]4)cs3)co2)cc1 ZINC000822214223 606225003 /nfs/dbraw/zinc/22/50/03/606225003.db2.gz VDXJXSOHGHIBSY-UHFFFAOYSA-N -1 3 352.423 3.181 20 0 FGADHM Cc1ccc(-c2nc(CNCc3cc(-c4nn[n-]n4)cs3)co2)cc1 ZINC000822214223 606225005 /nfs/dbraw/zinc/22/50/05/606225005.db2.gz VDXJXSOHGHIBSY-UHFFFAOYSA-N -1 3 352.423 3.181 20 0 FGADHM CC(=O)[C@H](C)OC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000819781963 606236526 /nfs/dbraw/zinc/23/65/26/606236526.db2.gz FUVNKRYXQMXVFZ-LBPRGKRZSA-N -1 3 368.418 3.152 20 0 FGADHM CC(=O)[C@H](C)OC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000819781963 606236527 /nfs/dbraw/zinc/23/65/27/606236527.db2.gz FUVNKRYXQMXVFZ-LBPRGKRZSA-N -1 3 368.418 3.152 20 0 FGADHM Cc1sc(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)nc1-c1ccc(F)cc1 ZINC000822564179 606251460 /nfs/dbraw/zinc/25/14/60/606251460.db2.gz VTRNNDCOBCOSSQ-UHFFFAOYSA-N -1 3 369.385 3.018 20 0 FGADHM Cc1sc(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)nc1-c1ccc(F)cc1 ZINC000822564179 606251462 /nfs/dbraw/zinc/25/14/62/606251462.db2.gz VTRNNDCOBCOSSQ-UHFFFAOYSA-N -1 3 369.385 3.018 20 0 FGADHM Cc1ccccc1[C@@H](CC(C)C)NC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000822345571 606253017 /nfs/dbraw/zinc/25/30/17/606253017.db2.gz KYZWZTQQXLNNJR-MRXNPFEDSA-N -1 3 352.442 3.031 20 0 FGADHM Cc1ccccc1[C@@H](CC(C)C)NC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000822345571 606253018 /nfs/dbraw/zinc/25/30/18/606253018.db2.gz KYZWZTQQXLNNJR-MRXNPFEDSA-N -1 3 352.442 3.031 20 0 FGADHM O=C(Nc1cccc(COC2CCCCC2)c1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823363410 606264464 /nfs/dbraw/zinc/26/44/64/606264464.db2.gz CHTZLUDTZDPYCJ-UHFFFAOYSA-N -1 3 366.425 3.296 20 0 FGADHM O=C(Nc1cccc(COC2CCCCC2)c1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823363410 606264466 /nfs/dbraw/zinc/26/44/66/606264466.db2.gz CHTZLUDTZDPYCJ-UHFFFAOYSA-N -1 3 366.425 3.296 20 0 FGADHM C[C@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1ccccc1Oc1ccccc1 ZINC000820385409 606266306 /nfs/dbraw/zinc/26/63/06/606266306.db2.gz RNQMOHIWGFBKRM-ZDUSSCGKSA-N -1 3 374.404 3.478 20 0 FGADHM C[C@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1ccccc1Oc1ccccc1 ZINC000820385409 606266308 /nfs/dbraw/zinc/26/63/08/606266308.db2.gz RNQMOHIWGFBKRM-ZDUSSCGKSA-N -1 3 374.404 3.478 20 0 FGADHM COc1ccccc1C(C)=CC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000821882766 606271415 /nfs/dbraw/zinc/27/14/15/606271415.db2.gz KGYJKJGBWWXTST-LUAWRHEFSA-N -1 3 353.357 3.056 20 0 FGADHM COc1ccccc1C(C)=CC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000821882766 606271416 /nfs/dbraw/zinc/27/14/16/606271416.db2.gz KGYJKJGBWWXTST-LUAWRHEFSA-N -1 3 353.357 3.056 20 0 FGADHM COC(=O)[C@@H](N[C@H](C)c1cc(C)cc(C)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000821640817 606304854 /nfs/dbraw/zinc/30/48/54/606304854.db2.gz PRRDTOFAFLIPGG-KDOFPFPSSA-N -1 3 365.437 3.048 20 0 FGADHM COC(=O)[C@@H](N[C@H](C)c1cc(C)cc(C)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000821640817 606304856 /nfs/dbraw/zinc/30/48/56/606304856.db2.gz PRRDTOFAFLIPGG-KDOFPFPSSA-N -1 3 365.437 3.048 20 0 FGADHM COC(=O)[C@@H](NCCCCC1CCCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000821642729 606309555 /nfs/dbraw/zinc/30/95/55/606309555.db2.gz OKUBFRHKNOPMNS-KRWDZBQOSA-N -1 3 357.458 3.031 20 0 FGADHM COC(=O)[C@@H](NCCCCC1CCCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000821642729 606309556 /nfs/dbraw/zinc/30/95/56/606309556.db2.gz OKUBFRHKNOPMNS-KRWDZBQOSA-N -1 3 357.458 3.031 20 0 FGADHM CS/C=C/C(=O)Nc1ccc(Oc2ncccc2-c2nnn[n-]2)cc1C ZINC000821956617 606310177 /nfs/dbraw/zinc/31/01/77/606310177.db2.gz SXKHAGUONFFVQS-VQHVLOKHSA-N -1 3 368.422 3.178 20 0 FGADHM O=C(Nc1ccccc1SCC(F)(F)F)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823373024 606314158 /nfs/dbraw/zinc/31/41/58/606314158.db2.gz OKFBTVQKQTWADE-UHFFFAOYSA-N -1 3 368.344 3.102 20 0 FGADHM O=C(Nc1ccccc1SCC(F)(F)F)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823373024 606314159 /nfs/dbraw/zinc/31/41/59/606314159.db2.gz OKFBTVQKQTWADE-UHFFFAOYSA-N -1 3 368.344 3.102 20 0 FGADHM Cc1sc2[nH]c(CSc3cccc(-c4nnn[n-]4)c3)nc(=O)c2c1C ZINC000822563196 606326409 /nfs/dbraw/zinc/32/64/09/606326409.db2.gz GXLNAQTUIYIUCG-UHFFFAOYSA-N -1 3 370.463 3.486 20 0 FGADHM Cc1sc2[nH]c(CSc3cccc(-c4nn[n-]n4)c3)nc(=O)c2c1C ZINC000822563196 606326410 /nfs/dbraw/zinc/32/64/10/606326410.db2.gz GXLNAQTUIYIUCG-UHFFFAOYSA-N -1 3 370.463 3.486 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N1[C@H](C)C[C@H]2CCCC[C@H]21 ZINC000821762456 606344617 /nfs/dbraw/zinc/34/46/17/606344617.db2.gz LXWVYQDULOFBKK-LALPHHSUSA-N -1 3 356.430 3.060 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N1[C@H](C)C[C@H]2CCCC[C@H]21 ZINC000821762456 606344618 /nfs/dbraw/zinc/34/46/18/606344618.db2.gz LXWVYQDULOFBKK-LALPHHSUSA-N -1 3 356.430 3.060 20 0 FGADHM C[C@H]1C[C@H]1c1ccc(CNC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)o1 ZINC000820678670 606347110 /nfs/dbraw/zinc/34/71/10/606347110.db2.gz XALSXTBMXXWIKJ-JOYOIKCWSA-N -1 3 356.361 3.044 20 0 FGADHM C[C@H]1C[C@H]1c1ccc(CNC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)o1 ZINC000820678670 606347113 /nfs/dbraw/zinc/34/71/13/606347113.db2.gz XALSXTBMXXWIKJ-JOYOIKCWSA-N -1 3 356.361 3.044 20 0 FGADHM COc1cc(Cl)ccc1C(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821717198 606348302 /nfs/dbraw/zinc/34/83/02/606348302.db2.gz KJXMAFXSKNBNSG-JTQLQIEISA-N -1 3 358.785 3.447 20 0 FGADHM COc1cc(Cl)ccc1C(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821717198 606348304 /nfs/dbraw/zinc/34/83/04/606348304.db2.gz KJXMAFXSKNBNSG-JTQLQIEISA-N -1 3 358.785 3.447 20 0 FGADHM C[C@H](OC(=O)[C@@H]1Cc2cc(Cl)ccc2O1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820488092 606348799 /nfs/dbraw/zinc/34/87/99/606348799.db2.gz KXDXZNHKXPHHAM-QFYYESIMSA-N -1 3 370.796 3.128 20 0 FGADHM C[C@H](OC(=O)[C@@H]1Cc2cc(Cl)ccc2O1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820488092 606348801 /nfs/dbraw/zinc/34/88/01/606348801.db2.gz KXDXZNHKXPHHAM-QFYYESIMSA-N -1 3 370.796 3.128 20 0 FGADHM CCS[C@H]1CCC[C@H](NC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000821455703 606349039 /nfs/dbraw/zinc/34/90/39/606349039.db2.gz LHTBTRRPKSSKKG-RYUDHWBXSA-N -1 3 364.450 3.192 20 0 FGADHM CCS[C@H]1CCC[C@H](NC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000821455703 606349041 /nfs/dbraw/zinc/34/90/41/606349041.db2.gz LHTBTRRPKSSKKG-RYUDHWBXSA-N -1 3 364.450 3.192 20 0 FGADHM C[C@H](OC(=O)COc1ccccc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000820498029 606349545 /nfs/dbraw/zinc/34/95/45/606349545.db2.gz YEFZUIKLCPFDGO-NSHDSACASA-N -1 3 358.785 3.203 20 0 FGADHM C[C@H](OC(=O)COc1ccccc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000820498029 606349547 /nfs/dbraw/zinc/34/95/47/606349547.db2.gz YEFZUIKLCPFDGO-NSHDSACASA-N -1 3 358.785 3.203 20 0 FGADHM C[C@H](OC(=O)C[C@H]1OCCc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000820487754 606350394 /nfs/dbraw/zinc/35/03/94/606350394.db2.gz ILYMLAMKWGMCFX-SCLBCKFNSA-N -1 3 364.405 3.175 20 0 FGADHM C[C@H](OC(=O)C[C@H]1OCCc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000820487754 606350396 /nfs/dbraw/zinc/35/03/96/606350396.db2.gz ILYMLAMKWGMCFX-SCLBCKFNSA-N -1 3 364.405 3.175 20 0 FGADHM COc1ccc([C@H](C)C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821778089 606351833 /nfs/dbraw/zinc/35/18/33/606351833.db2.gz TZANPCPDENSBEB-QWHCGFSZSA-N -1 3 352.394 3.283 20 0 FGADHM COc1ccc([C@H](C)C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821778089 606351835 /nfs/dbraw/zinc/35/18/35/606351835.db2.gz TZANPCPDENSBEB-QWHCGFSZSA-N -1 3 352.394 3.283 20 0 FGADHM CS/C=C/C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000821956719 606361516 /nfs/dbraw/zinc/36/15/16/606361516.db2.gz WHIKLKVDSRBUED-ZHACJKMWSA-N -1 3 353.407 3.474 20 0 FGADHM CS/C=C/C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000821956719 606361517 /nfs/dbraw/zinc/36/15/17/606361517.db2.gz WHIKLKVDSRBUED-ZHACJKMWSA-N -1 3 353.407 3.474 20 0 FGADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Oc1cccc(Oc2ccccc2)c1 ZINC000822665757 606406093 /nfs/dbraw/zinc/40/60/93/606406093.db2.gz XNCNBVHAAUCLMS-UHFFFAOYSA-N -1 3 361.361 3.217 20 0 FGADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Oc1cccc(Oc2ccccc2)c1 ZINC000822665757 606406094 /nfs/dbraw/zinc/40/60/94/606406094.db2.gz XNCNBVHAAUCLMS-UHFFFAOYSA-N -1 3 361.361 3.217 20 0 FGADHM Cc1cc([C@H](C)NC(=S)Nc2ccccc2-c2nnn[n-]2)ccc1F ZINC000822192055 606417226 /nfs/dbraw/zinc/41/72/26/606417226.db2.gz XQOPBBRNIFKCSJ-NSHDSACASA-N -1 3 356.430 3.362 20 0 FGADHM Cc1cc([C@H](C)NC(=S)Nc2ccccc2-c2nn[n-]n2)ccc1F ZINC000822192055 606417228 /nfs/dbraw/zinc/41/72/28/606417228.db2.gz XQOPBBRNIFKCSJ-NSHDSACASA-N -1 3 356.430 3.362 20 0 FGADHM Cc1cc(C)c(-c2nnn[n-]2)c(NCc2c(F)cccc2OC(F)F)n1 ZINC000822193068 606419702 /nfs/dbraw/zinc/41/97/02/606419702.db2.gz KEQHERHORUTQEB-UHFFFAOYSA-N -1 3 364.331 3.231 20 0 FGADHM Cc1cc(C)c(-c2nn[n-]n2)c(NCc2c(F)cccc2OC(F)F)n1 ZINC000822193068 606419703 /nfs/dbraw/zinc/41/97/03/606419703.db2.gz KEQHERHORUTQEB-UHFFFAOYSA-N -1 3 364.331 3.231 20 0 FGADHM C[C@@H](NCc1ccc(-c2nnn[n-]2)s1)c1nc(C2CCCCC2)no1 ZINC000820432274 606424928 /nfs/dbraw/zinc/42/49/28/606424928.db2.gz NLVINYCIFFWTAJ-SNVBAGLBSA-N -1 3 359.459 3.210 20 0 FGADHM Cc1cc(NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)CC(C)C)sn1 ZINC000822208378 606437881 /nfs/dbraw/zinc/43/78/81/606437881.db2.gz PAXVRBAYOFPOER-UHFFFAOYSA-N -1 3 371.470 3.322 20 0 FGADHM Cc1cc(NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)CC(C)C)sn1 ZINC000822208378 606437883 /nfs/dbraw/zinc/43/78/83/606437883.db2.gz PAXVRBAYOFPOER-UHFFFAOYSA-N -1 3 371.470 3.322 20 0 FGADHM Cc1cc([C@H](C)NC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)ccc1F ZINC000822191352 606444364 /nfs/dbraw/zinc/44/43/64/606444364.db2.gz IYFRULUMYVSPKZ-NSHDSACASA-N -1 3 372.379 3.014 20 0 FGADHM Cc1cc([C@H](C)NC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)ccc1F ZINC000822191352 606444365 /nfs/dbraw/zinc/44/43/65/606444365.db2.gz IYFRULUMYVSPKZ-NSHDSACASA-N -1 3 372.379 3.014 20 0 FGADHM COC(=O)c1cc(NCc2cc(-c3nnn[n-]3)ccc2F)ccc1Cl ZINC000821668187 606444932 /nfs/dbraw/zinc/44/49/32/606444932.db2.gz ULHKJFDQXMVYFE-UHFFFAOYSA-N -1 3 361.764 3.058 20 0 FGADHM COC(=O)c1cc(NCc2cc(-c3nn[n-]n3)ccc2F)ccc1Cl ZINC000821668187 606444934 /nfs/dbraw/zinc/44/49/34/606444934.db2.gz ULHKJFDQXMVYFE-UHFFFAOYSA-N -1 3 361.764 3.058 20 0 FGADHM CCc1ccc(CC)c(NC(=O)CNc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821480689 606459960 /nfs/dbraw/zinc/45/99/60/606459960.db2.gz CZRNZKVHAGUBDT-UHFFFAOYSA-N -1 3 350.426 3.042 20 0 FGADHM C[S@@](=O)Cc1ccc(Cl)c(NCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000821941370 606460632 /nfs/dbraw/zinc/46/06/32/606460632.db2.gz FHMPTKASXSVUQU-XMMPIXPASA-N -1 3 361.858 3.011 20 0 FGADHM C[S@@](=O)Cc1ccc(Cl)c(NCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000821941370 606460633 /nfs/dbraw/zinc/46/06/33/606460633.db2.gz FHMPTKASXSVUQU-XMMPIXPASA-N -1 3 361.858 3.011 20 0 FGADHM C[C@H](OC(=O)c1cc(-c2nnn[n-]2)cs1)c1ccc(OC(F)F)cc1 ZINC000820507328 606466043 /nfs/dbraw/zinc/46/60/43/606466043.db2.gz GUGQFHUAACBIGV-QMMMGPOBSA-N -1 3 366.349 3.448 20 0 FGADHM C[C@H](OC(=O)c1cc(-c2nn[n-]n2)cs1)c1ccc(OC(F)F)cc1 ZINC000820507328 606466045 /nfs/dbraw/zinc/46/60/45/606466045.db2.gz GUGQFHUAACBIGV-QMMMGPOBSA-N -1 3 366.349 3.448 20 0 FGADHM S=C(Nc1ccccc1-c1nnn[n-]1)N(CC1CC1)c1ccccc1 ZINC000823732403 606471423 /nfs/dbraw/zinc/47/14/23/606471423.db2.gz MBYVKTHBSUYACI-UHFFFAOYSA-N -1 3 350.451 3.480 20 0 FGADHM S=C(Nc1ccccc1-c1nn[n-]n1)N(CC1CC1)c1ccccc1 ZINC000823732403 606471426 /nfs/dbraw/zinc/47/14/26/606471426.db2.gz MBYVKTHBSUYACI-UHFFFAOYSA-N -1 3 350.451 3.480 20 0 FGADHM C[C@@H](Cc1ccncc1)Nc1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21 ZINC000820299696 606478694 /nfs/dbraw/zinc/47/86/94/606478694.db2.gz JKHBKKNKBVSEFS-JTQLQIEISA-N -1 3 367.363 3.131 20 0 FGADHM C[C@@H](Cc1ccncc1)Nc1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21 ZINC000820299696 606478696 /nfs/dbraw/zinc/47/86/96/606478696.db2.gz JKHBKKNKBVSEFS-JTQLQIEISA-N -1 3 367.363 3.131 20 0 FGADHM COc1ccc2c(c1)CCC[C@H]2N(C)C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000821850209 606492715 /nfs/dbraw/zinc/49/27/15/606492715.db2.gz ZDBYKFBJYNLDLR-OAHLLOKOSA-N -1 3 369.450 3.086 20 0 FGADHM COc1ccc2c(c1)CCC[C@H]2N(C)C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000821850209 606492716 /nfs/dbraw/zinc/49/27/16/606492716.db2.gz ZDBYKFBJYNLDLR-OAHLLOKOSA-N -1 3 369.450 3.086 20 0 FGADHM C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820219883 606500914 /nfs/dbraw/zinc/50/09/14/606500914.db2.gz KUTICEFLGKQYRH-HNNXBMFYSA-N -1 3 361.449 3.237 20 0 FGADHM C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820219883 606500917 /nfs/dbraw/zinc/50/09/17/606500917.db2.gz KUTICEFLGKQYRH-HNNXBMFYSA-N -1 3 361.449 3.237 20 0 FGADHM CCN(C(=O)Cc1cccc(-c2nnn[n-]2)c1)[C@@H](C)c1ccc(F)cc1 ZINC000821155402 606513333 /nfs/dbraw/zinc/51/33/33/606513333.db2.gz YSQJXKYCWZEWLI-ZDUSSCGKSA-N -1 3 353.401 3.158 20 0 FGADHM CCN(C(=O)Cc1cccc(-c2nn[n-]n2)c1)[C@@H](C)c1ccc(F)cc1 ZINC000821155402 606513335 /nfs/dbraw/zinc/51/33/35/606513335.db2.gz YSQJXKYCWZEWLI-ZDUSSCGKSA-N -1 3 353.401 3.158 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)C(C)=Cc1ccc(F)cc1 ZINC000821699489 606520648 /nfs/dbraw/zinc/52/06/48/606520648.db2.gz RWMQYCQMAFWJNT-LUAWRHEFSA-N -1 3 354.341 3.023 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)C(C)=Cc1ccc(F)cc1 ZINC000821699489 606520650 /nfs/dbraw/zinc/52/06/50/606520650.db2.gz RWMQYCQMAFWJNT-LUAWRHEFSA-N -1 3 354.341 3.023 20 0 FGADHM C[C@@H](NC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1F ZINC000820372537 606529067 /nfs/dbraw/zinc/52/90/67/606529067.db2.gz ALNZNQNFECGIQE-WDEREUQCSA-N -1 3 372.379 3.266 20 0 FGADHM C[C@@H](NC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1F ZINC000820372537 606529068 /nfs/dbraw/zinc/52/90/68/606529068.db2.gz ALNZNQNFECGIQE-WDEREUQCSA-N -1 3 372.379 3.266 20 0 FGADHM C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820728478 606545814 /nfs/dbraw/zinc/54/58/14/606545814.db2.gz WOWCFERZFVTFAO-RFAUZJTJSA-N -1 3 357.414 3.121 20 0 FGADHM C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820728478 606545816 /nfs/dbraw/zinc/54/58/16/606545816.db2.gz WOWCFERZFVTFAO-RFAUZJTJSA-N -1 3 357.414 3.121 20 0 FGADHM O=C(Nc1c(F)cccc1Br)c1cc(-c2nnn[n-]2)cs1 ZINC000823289430 606551735 /nfs/dbraw/zinc/55/17/35/606551735.db2.gz ISPCOIVXQSREOY-UHFFFAOYSA-N -1 3 368.191 3.082 20 0 FGADHM O=C(Nc1c(F)cccc1Br)c1cc(-c2nn[n-]n2)cs1 ZINC000823289430 606551737 /nfs/dbraw/zinc/55/17/37/606551737.db2.gz ISPCOIVXQSREOY-UHFFFAOYSA-N -1 3 368.191 3.082 20 0 FGADHM CC(C)c1ccc(CCCNC(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000820192374 606564485 /nfs/dbraw/zinc/56/44/85/606564485.db2.gz LJDQVUJVAGYONO-UHFFFAOYSA-N -1 3 363.465 3.282 20 0 FGADHM CC(C)c1ccc(CCCNC(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000820192374 606564486 /nfs/dbraw/zinc/56/44/86/606564486.db2.gz LJDQVUJVAGYONO-UHFFFAOYSA-N -1 3 363.465 3.282 20 0 FGADHM O=C(OCc1c(Cl)ccc2cccnc21)c1cc(-c2nnn[n-]2)cs1 ZINC000823413878 606569649 /nfs/dbraw/zinc/56/96/49/606569649.db2.gz OXFLROLYVDMVCV-UHFFFAOYSA-N -1 3 371.809 3.487 20 0 FGADHM O=C(OCc1c(Cl)ccc2cccnc21)c1cc(-c2nn[n-]n2)cs1 ZINC000823413878 606569650 /nfs/dbraw/zinc/56/96/50/606569650.db2.gz OXFLROLYVDMVCV-UHFFFAOYSA-N -1 3 371.809 3.487 20 0 FGADHM Cc1ccc(CN(C(=O)Cc2cccc(-c3nnn[n-]3)c2)C2CC2)cc1C ZINC000822236405 606571544 /nfs/dbraw/zinc/57/15/44/606571544.db2.gz YCASOMGHUNPYQX-UHFFFAOYSA-N -1 3 361.449 3.217 20 0 FGADHM Cc1ccc(CN(C(=O)Cc2cccc(-c3nn[n-]n3)c2)C2CC2)cc1C ZINC000822236405 606571545 /nfs/dbraw/zinc/57/15/45/606571545.db2.gz YCASOMGHUNPYQX-UHFFFAOYSA-N -1 3 361.449 3.217 20 0 FGADHM C[C@@H](N(C)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)C1(C)CC1 ZINC000820306965 606575080 /nfs/dbraw/zinc/57/50/80/606575080.db2.gz HTJKBCGOKKRTTQ-SECBINFHSA-N -1 3 366.372 3.120 20 0 FGADHM C[C@@H](N(C)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)C1(C)CC1 ZINC000820306965 606575081 /nfs/dbraw/zinc/57/50/81/606575081.db2.gz HTJKBCGOKKRTTQ-SECBINFHSA-N -1 3 366.372 3.120 20 0 FGADHM CCC(CC)(CNC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000820887649 606576958 /nfs/dbraw/zinc/57/69/58/606576958.db2.gz KNTULIMUIAJXNA-UHFFFAOYSA-N -1 3 363.465 3.283 20 0 FGADHM CCC(CC)(CNC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000820887649 606576960 /nfs/dbraw/zinc/57/69/60/606576960.db2.gz KNTULIMUIAJXNA-UHFFFAOYSA-N -1 3 363.465 3.283 20 0 FGADHM CC(=O)c1ccccc1NCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000819844656 606595858 /nfs/dbraw/zinc/59/58/58/606595858.db2.gz KGRAVSSNVCJVCR-UHFFFAOYSA-N -1 3 359.336 3.283 20 0 FGADHM CC(=O)c1ccccc1NCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000819844656 606595859 /nfs/dbraw/zinc/59/58/59/606595859.db2.gz KGRAVSSNVCJVCR-UHFFFAOYSA-N -1 3 359.336 3.283 20 0 FGADHM COCCc1nc2cc(N[C@@H](C)c3ccc(-c4nnn[n-]4)cc3)ccc2o1 ZINC000821694328 606600800 /nfs/dbraw/zinc/60/08/00/606600800.db2.gz IORFWZODBSPSAX-LBPRGKRZSA-N -1 3 364.409 3.370 20 0 FGADHM COCCc1nc2cc(N[C@@H](C)c3ccc(-c4nn[n-]n4)cc3)ccc2o1 ZINC000821694328 606600802 /nfs/dbraw/zinc/60/08/02/606600802.db2.gz IORFWZODBSPSAX-LBPRGKRZSA-N -1 3 364.409 3.370 20 0 FGADHM Cc1ccccc1CCCSCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000822356145 606601110 /nfs/dbraw/zinc/60/11/10/606601110.db2.gz KQCLBOCIFIMPLN-UHFFFAOYSA-N -1 3 367.478 3.480 20 0 FGADHM Cc1ccccc1CCCSCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000822356145 606601111 /nfs/dbraw/zinc/60/11/11/606601111.db2.gz KQCLBOCIFIMPLN-UHFFFAOYSA-N -1 3 367.478 3.480 20 0 FGADHM Cc1cc(CCCC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)c(C)s1 ZINC000822199891 606604448 /nfs/dbraw/zinc/60/44/48/606604448.db2.gz LTAMMQSWBSRBAG-UHFFFAOYSA-N -1 3 373.457 3.323 20 0 FGADHM Cc1cc(CCCC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)c(C)s1 ZINC000822199891 606604450 /nfs/dbraw/zinc/60/44/50/606604450.db2.gz LTAMMQSWBSRBAG-UHFFFAOYSA-N -1 3 373.457 3.323 20 0 FGADHM O=C(Nc1cnccc1-c1cccc(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000823375692 606607351 /nfs/dbraw/zinc/60/73/51/606607351.db2.gz FTMBDFIMZCXUNJ-UHFFFAOYSA-N -1 3 360.352 3.320 20 0 FGADHM O=C(Nc1cnccc1-c1cccc(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000823375692 606607353 /nfs/dbraw/zinc/60/73/53/606607353.db2.gz FTMBDFIMZCXUNJ-UHFFFAOYSA-N -1 3 360.352 3.320 20 0 FGADHM Cc1ccc(CNC(=O)c2sccc2-c2nnn[n-]2)c(OC(C)(C)C)c1 ZINC000822238656 606622339 /nfs/dbraw/zinc/62/23/39/606622339.db2.gz POJBELSQBNFZJR-UHFFFAOYSA-N -1 3 371.466 3.344 20 0 FGADHM Cc1ccc(CNC(=O)c2sccc2-c2nn[n-]n2)c(OC(C)(C)C)c1 ZINC000822238656 606622341 /nfs/dbraw/zinc/62/23/41/606622341.db2.gz POJBELSQBNFZJR-UHFFFAOYSA-N -1 3 371.466 3.344 20 0 FGADHM CC[C@H](C)Oc1ccc(C(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000820875689 606626830 /nfs/dbraw/zinc/62/68/30/606626830.db2.gz CMLKBKJLKSFEPH-AWEZNQCLSA-N -1 3 365.437 3.316 20 0 FGADHM CC[C@H](C)Oc1ccc(C(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000820875689 606626832 /nfs/dbraw/zinc/62/68/32/606626832.db2.gz CMLKBKJLKSFEPH-AWEZNQCLSA-N -1 3 365.437 3.316 20 0 FGADHM FC(F)(F)c1cc(N2CCO[C@@H](c3ccco3)C2)ccc1-c1nnn[n-]1 ZINC000822723478 606633682 /nfs/dbraw/zinc/63/36/82/606633682.db2.gz GFGIOTVGWYUAKD-CQSZACIVSA-N -1 3 365.315 3.056 20 0 FGADHM FC(F)(F)c1cc(N2CCO[C@@H](c3ccco3)C2)ccc1-c1nn[n-]n1 ZINC000822723478 606633683 /nfs/dbraw/zinc/63/36/83/606633683.db2.gz GFGIOTVGWYUAKD-CQSZACIVSA-N -1 3 365.315 3.056 20 0 FGADHM O=C(c1sccc1-c1nnn[n-]1)N1CCCCC[C@H]1[C@@H]1CCCCC1=O ZINC000823524750 606659521 /nfs/dbraw/zinc/65/95/21/606659521.db2.gz BNLDHGYFFKXMJB-JSGCOSHPSA-N -1 3 373.482 3.072 20 0 FGADHM O=C(c1sccc1-c1nn[n-]n1)N1CCCCC[C@H]1[C@@H]1CCCCC1=O ZINC000823524750 606659522 /nfs/dbraw/zinc/65/95/22/606659522.db2.gz BNLDHGYFFKXMJB-JSGCOSHPSA-N -1 3 373.482 3.072 20 0 FGADHM Clc1cc(CNc2cccc(-c3nnn[n-]3)c2)cc2c1OCCCO2 ZINC000378882283 606659594 /nfs/dbraw/zinc/65/95/94/606659594.db2.gz HYMJISDCQLGPCG-UHFFFAOYSA-N -1 3 357.801 3.294 20 0 FGADHM Clc1cc(CNc2cccc(-c3nn[n-]n3)c2)cc2c1OCCCO2 ZINC000378882283 606659595 /nfs/dbraw/zinc/65/95/95/606659595.db2.gz HYMJISDCQLGPCG-UHFFFAOYSA-N -1 3 357.801 3.294 20 0 FGADHM Cc1cccc2sc(NC(=O)c3c(F)cc(-c4nnn[n-]4)cc3F)nc21 ZINC000822341061 606663129 /nfs/dbraw/zinc/66/31/29/606663129.db2.gz SNSJNBPJSCJYID-UHFFFAOYSA-N -1 3 372.360 3.315 20 0 FGADHM Cc1cccc2sc(NC(=O)c3c(F)cc(-c4nn[n-]n4)cc3F)nc21 ZINC000822341061 606663130 /nfs/dbraw/zinc/66/31/30/606663130.db2.gz SNSJNBPJSCJYID-UHFFFAOYSA-N -1 3 372.360 3.315 20 0 FGADHM CCOc1ccc([C@H](C)NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1 ZINC000821417773 606664489 /nfs/dbraw/zinc/66/44/89/606664489.db2.gz RKYLJAJGRAJNOV-JTQLQIEISA-N -1 3 373.363 3.035 20 0 FGADHM CCOc1ccc([C@H](C)NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1 ZINC000821417773 606664490 /nfs/dbraw/zinc/66/44/90/606664490.db2.gz RKYLJAJGRAJNOV-JTQLQIEISA-N -1 3 373.363 3.035 20 0 FGADHM Cc1sc(NC(=O)[C@@H]2C[C@@H]2Cc2ccccc2)c(-c2nnn[n-]2)c1C ZINC000822556209 606664727 /nfs/dbraw/zinc/66/47/27/606664727.db2.gz ANKVZYKSCQURHA-UONOGXRCSA-N -1 3 353.451 3.362 20 0 FGADHM Cc1sc(NC(=O)[C@@H]2C[C@@H]2Cc2ccccc2)c(-c2nn[n-]n2)c1C ZINC000822556209 606664728 /nfs/dbraw/zinc/66/47/28/606664728.db2.gz ANKVZYKSCQURHA-UONOGXRCSA-N -1 3 353.451 3.362 20 0 FGADHM CC(C)C[C@H](C)OCCC(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000820055262 606664965 /nfs/dbraw/zinc/66/49/65/606664965.db2.gz HEVKMFYYMDEEFT-NSHDSACASA-N -1 3 351.838 3.300 20 0 FGADHM CC(C)C[C@H](C)OCCC(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000820055262 606664966 /nfs/dbraw/zinc/66/49/66/606664966.db2.gz HEVKMFYYMDEEFT-NSHDSACASA-N -1 3 351.838 3.300 20 0 FGADHM O=C(Nc1cccc(Cl)c1F)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823363475 606665791 /nfs/dbraw/zinc/66/57/91/606665791.db2.gz FOKRKBHHHPJSAJ-UHFFFAOYSA-N -1 3 353.691 3.190 20 0 FGADHM O=C(Nc1cccc(Cl)c1F)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823363475 606665792 /nfs/dbraw/zinc/66/57/92/606665792.db2.gz FOKRKBHHHPJSAJ-UHFFFAOYSA-N -1 3 353.691 3.190 20 0 FGADHM Cc1ccc([C@@H](NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)C2CC2)cc1 ZINC000822230471 606669011 /nfs/dbraw/zinc/66/90/11/606669011.db2.gz HPHBYMOOSPADNA-QGZVFWFLSA-N -1 3 369.375 3.334 20 0 FGADHM Cc1ccc([C@@H](NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C2CC2)cc1 ZINC000822230471 606669012 /nfs/dbraw/zinc/66/90/12/606669012.db2.gz HPHBYMOOSPADNA-QGZVFWFLSA-N -1 3 369.375 3.334 20 0 FGADHM O=C(C[C@@H]1CCCCO1)Nc1sc(-c2ccccc2)cc1-c1nnn[n-]1 ZINC000822941073 606673197 /nfs/dbraw/zinc/67/31/97/606673197.db2.gz PCJBGJJYZNUFJA-ZDUSSCGKSA-N -1 3 369.450 3.493 20 0 FGADHM O=C(C[C@@H]1CCCCO1)Nc1sc(-c2ccccc2)cc1-c1nn[n-]n1 ZINC000822941073 606673198 /nfs/dbraw/zinc/67/31/98/606673198.db2.gz PCJBGJJYZNUFJA-ZDUSSCGKSA-N -1 3 369.450 3.493 20 0 FGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)[C@@H]1C[C@H]1Cc1ccccc1 ZINC000819972053 606673389 /nfs/dbraw/zinc/67/33/89/606673389.db2.gz ZAZBZDVOIYWYFP-GDBMZVCRSA-N -1 3 364.453 3.241 20 0 FGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1C[C@H]1Cc1ccccc1 ZINC000819972053 606673390 /nfs/dbraw/zinc/67/33/90/606673390.db2.gz ZAZBZDVOIYWYFP-GDBMZVCRSA-N -1 3 364.453 3.241 20 0 FGADHM CCCOc1cc(C)ccc1NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821128713 606673629 /nfs/dbraw/zinc/67/36/29/606673629.db2.gz ZZMGKOVIEPETSL-UHFFFAOYSA-N -1 3 373.363 3.494 20 0 FGADHM CCCOc1cc(C)ccc1NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821128713 606673630 /nfs/dbraw/zinc/67/36/30/606673630.db2.gz ZZMGKOVIEPETSL-UHFFFAOYSA-N -1 3 373.363 3.494 20 0 FGADHM O=C(NCc1cc2ccccc2s1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823246233 606674052 /nfs/dbraw/zinc/67/40/52/606674052.db2.gz IHYRZCWCFXEHEK-UHFFFAOYSA-N -1 3 371.372 3.290 20 0 FGADHM O=C(NCc1cc2ccccc2s1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823246233 606674053 /nfs/dbraw/zinc/67/40/53/606674053.db2.gz IHYRZCWCFXEHEK-UHFFFAOYSA-N -1 3 371.372 3.290 20 0 FGADHM Cc1nc(CC(C)C)c(C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)s1 ZINC000822436442 606675409 /nfs/dbraw/zinc/67/54/09/606675409.db2.gz MKOYYTPYZLIWAE-UHFFFAOYSA-N -1 3 356.455 3.391 20 0 FGADHM Cc1nc(CC(C)C)c(C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)s1 ZINC000822436442 606675410 /nfs/dbraw/zinc/67/54/10/606675410.db2.gz MKOYYTPYZLIWAE-UHFFFAOYSA-N -1 3 356.455 3.391 20 0 FGADHM C[C@@]1(NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)CCCc2ccccc21 ZINC000820623196 606675732 /nfs/dbraw/zinc/67/57/32/606675732.db2.gz HRHSGEMHXJWSBK-LJQANCHMSA-N -1 3 369.375 3.126 20 0 FGADHM C[C@@]1(NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CCCc2ccccc21 ZINC000820623196 606675733 /nfs/dbraw/zinc/67/57/33/606675733.db2.gz HRHSGEMHXJWSBK-LJQANCHMSA-N -1 3 369.375 3.126 20 0 FGADHM Cc1ccc2cccc(NC(=O)c3c(F)cc(-c4nnn[n-]4)cc3F)c2n1 ZINC000822280435 606677080 /nfs/dbraw/zinc/67/70/80/606677080.db2.gz NDJXRKVBXUWHFK-UHFFFAOYSA-N -1 3 366.331 3.254 20 0 FGADHM Cc1ccc2cccc(NC(=O)c3c(F)cc(-c4nn[n-]n4)cc3F)c2n1 ZINC000822280435 606677081 /nfs/dbraw/zinc/67/70/81/606677081.db2.gz NDJXRKVBXUWHFK-UHFFFAOYSA-N -1 3 366.331 3.254 20 0 FGADHM O=C(NCc1ccco1)c1ccccc1NCc1cccc(-c2nnn[n-]2)c1 ZINC000823261499 606679480 /nfs/dbraw/zinc/67/94/80/606679480.db2.gz KTZZRBPJRONCQA-UHFFFAOYSA-N -1 3 374.404 3.002 20 0 FGADHM O=C(NCc1ccco1)c1ccccc1NCc1cccc(-c2nn[n-]n2)c1 ZINC000823261499 606679481 /nfs/dbraw/zinc/67/94/81/606679481.db2.gz KTZZRBPJRONCQA-UHFFFAOYSA-N -1 3 374.404 3.002 20 0 FGADHM CC[C@@H](c1ccncc1)N(CC)C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820944690 606681640 /nfs/dbraw/zinc/68/16/40/606681640.db2.gz NAVHCIJRRYXRSX-HNNXBMFYSA-N -1 3 372.379 3.153 20 0 FGADHM CC[C@@H](c1ccncc1)N(CC)C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820944690 606681641 /nfs/dbraw/zinc/68/16/41/606681641.db2.gz NAVHCIJRRYXRSX-HNNXBMFYSA-N -1 3 372.379 3.153 20 0 FGADHM O=C(c1c(F)cc(-c2nnn[n-]2)cc1F)N1CCC(C2CCCC2)CC1 ZINC000823455031 606684031 /nfs/dbraw/zinc/68/40/31/606684031.db2.gz VTOHMKYECFXXSR-UHFFFAOYSA-N -1 3 361.396 3.187 20 0 FGADHM O=C(c1c(F)cc(-c2nn[n-]n2)cc1F)N1CCC(C2CCCC2)CC1 ZINC000823455031 606684032 /nfs/dbraw/zinc/68/40/32/606684032.db2.gz VTOHMKYECFXXSR-UHFFFAOYSA-N -1 3 361.396 3.187 20 0 FGADHM CSc1ccccc1N(C)C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821985111 606685953 /nfs/dbraw/zinc/68/59/53/606685953.db2.gz ZLQQCWLHVHMWOR-UHFFFAOYSA-N -1 3 361.377 3.143 20 0 FGADHM CSc1ccccc1N(C)C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821985111 606685954 /nfs/dbraw/zinc/68/59/54/606685954.db2.gz ZLQQCWLHVHMWOR-UHFFFAOYSA-N -1 3 361.377 3.143 20 0 FGADHM CN(C(=O)CSc1ccc(-c2nnn[n-]2)cc1)C1CCC(C)(C)CC1 ZINC000821570870 606691291 /nfs/dbraw/zinc/69/12/91/606691291.db2.gz OSWJKLYFEWFPPY-UHFFFAOYSA-N -1 3 359.499 3.386 20 0 FGADHM CN(C(=O)CSc1ccc(-c2nn[n-]n2)cc1)C1CCC(C)(C)CC1 ZINC000821570870 606691292 /nfs/dbraw/zinc/69/12/92/606691292.db2.gz OSWJKLYFEWFPPY-UHFFFAOYSA-N -1 3 359.499 3.386 20 0 FGADHM Cc1ccc([C@@H](C)NC(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1F ZINC000822229344 606692856 /nfs/dbraw/zinc/69/28/56/606692856.db2.gz RZHJKEMJECBPET-WTNCMQEWSA-N -1 3 351.385 3.205 20 0 FGADHM Cc1ccc([C@@H](C)NC(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1F ZINC000822229344 606692857 /nfs/dbraw/zinc/69/28/57/606692857.db2.gz RZHJKEMJECBPET-WTNCMQEWSA-N -1 3 351.385 3.205 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CC[C@@](C)(c2ccccc2)C1 ZINC000822217746 606696721 /nfs/dbraw/zinc/69/67/21/606696721.db2.gz MMJZYBVTUSWAHC-HXUWFJFHSA-N -1 3 362.437 3.371 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CC[C@@](C)(c2ccccc2)C1 ZINC000822217746 606696722 /nfs/dbraw/zinc/69/67/22/606696722.db2.gz MMJZYBVTUSWAHC-HXUWFJFHSA-N -1 3 362.437 3.371 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)Cc1ccc(F)cc1F ZINC000821122990 606697478 /nfs/dbraw/zinc/69/74/78/606697478.db2.gz GCJOPWBJBUSYEK-UHFFFAOYSA-N -1 3 372.379 3.148 20 0 FGADHM Cc1ccc(NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)c(C)n1 ZINC000822248678 606697870 /nfs/dbraw/zinc/69/78/70/606697870.db2.gz IFKOLHPCWBHCLZ-UHFFFAOYSA-N -1 3 365.441 3.321 20 0 FGADHM Cc1ccc(NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)c(C)n1 ZINC000822248678 606697871 /nfs/dbraw/zinc/69/78/71/606697871.db2.gz IFKOLHPCWBHCLZ-UHFFFAOYSA-N -1 3 365.441 3.321 20 0 FGADHM Fc1cc(NCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)ccc1Cl ZINC000822753178 606700189 /nfs/dbraw/zinc/70/01/89/606700189.db2.gz HRKHEEZLVZDTNW-UHFFFAOYSA-N -1 3 371.763 3.321 20 0 FGADHM Fc1cc(NCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)ccc1Cl ZINC000822753178 606700191 /nfs/dbraw/zinc/70/01/91/606700191.db2.gz HRKHEEZLVZDTNW-UHFFFAOYSA-N -1 3 371.763 3.321 20 0 FGADHM CN(C(=O)NCc1cc(-c2nnn[n-]2)ccc1F)C1CCC(C)(C)CC1 ZINC000821571989 606720266 /nfs/dbraw/zinc/72/02/66/606720266.db2.gz NGWSDOROKUTXIE-UHFFFAOYSA-N -1 3 360.437 3.116 20 0 FGADHM CN(C(=O)NCc1cc(-c2nn[n-]n2)ccc1F)C1CCC(C)(C)CC1 ZINC000821571989 606720267 /nfs/dbraw/zinc/72/02/67/606720267.db2.gz NGWSDOROKUTXIE-UHFFFAOYSA-N -1 3 360.437 3.116 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)C[C@@H](OCC)C(C)C ZINC000821118100 606738972 /nfs/dbraw/zinc/73/89/72/606738972.db2.gz HAVHOABXUDKESQ-MRXNPFEDSA-N -1 3 360.462 3.078 20 0 FGADHM Cc1cc(C)c(COC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c(C)c1 ZINC000822194305 606747788 /nfs/dbraw/zinc/74/77/88/606747788.db2.gz RFPHVMCJOOGNPY-UHFFFAOYSA-N -1 3 358.348 3.427 20 0 FGADHM Cc1cc(C)c(COC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c(C)c1 ZINC000822194305 606747790 /nfs/dbraw/zinc/74/77/90/606747790.db2.gz RFPHVMCJOOGNPY-UHFFFAOYSA-N -1 3 358.348 3.427 20 0 FGADHM C[C@H](CSc1ccc(F)cc1)C(=O)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000820294420 606748648 /nfs/dbraw/zinc/74/86/48/606748648.db2.gz SHWUSDXJNVUBFI-GFCCVEGCSA-N -1 3 372.425 3.477 20 0 FGADHM C[C@H](CSc1ccc(F)cc1)C(=O)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000820294420 606748649 /nfs/dbraw/zinc/74/86/49/606748649.db2.gz SHWUSDXJNVUBFI-GFCCVEGCSA-N -1 3 372.425 3.477 20 0 FGADHM CC[C@@H](O)CN(Cc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1C ZINC000821462303 606748716 /nfs/dbraw/zinc/74/87/16/606748716.db2.gz ZBOXPIAIVVNXOQ-QGZVFWFLSA-N -1 3 355.417 3.092 20 0 FGADHM CC[C@@H](O)CN(Cc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1C ZINC000821462303 606748719 /nfs/dbraw/zinc/74/87/19/606748719.db2.gz ZBOXPIAIVVNXOQ-QGZVFWFLSA-N -1 3 355.417 3.092 20 0 FGADHM CC(C)Sc1ccccc1NC(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC000820183939 606758410 /nfs/dbraw/zinc/75/84/10/606758410.db2.gz NWGIUPWLSDJDRS-UHFFFAOYSA-N -1 3 368.466 3.418 20 0 FGADHM CC(C)CC[C@H]1CCCCN1C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000820072959 606769768 /nfs/dbraw/zinc/76/97/68/606769768.db2.gz OYNZAYCERSTNFQ-QGZVFWFLSA-N -1 3 356.474 3.367 20 0 FGADHM CC(C)CC[C@H]1CCCCN1C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000820072959 606769769 /nfs/dbraw/zinc/76/97/69/606769769.db2.gz OYNZAYCERSTNFQ-QGZVFWFLSA-N -1 3 356.474 3.367 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC(CC(C)C)CC1 ZINC000821763261 606770792 /nfs/dbraw/zinc/77/07/92/606770792.db2.gz XCCPKIAGSIQKTP-UHFFFAOYSA-N -1 3 358.446 3.165 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC(CC(C)C)CC1 ZINC000821763261 606770793 /nfs/dbraw/zinc/77/07/93/606770793.db2.gz XCCPKIAGSIQKTP-UHFFFAOYSA-N -1 3 358.446 3.165 20 0 FGADHM CC[C@@H](C)NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000820875471 606773087 /nfs/dbraw/zinc/77/30/87/606773087.db2.gz AXBIKRQGNMICTC-CYBMUJFWSA-N -1 3 351.410 3.496 20 0 FGADHM CC[C@@H](C)NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000820875471 606773088 /nfs/dbraw/zinc/77/30/88/606773088.db2.gz AXBIKRQGNMICTC-CYBMUJFWSA-N -1 3 351.410 3.496 20 0 FGADHM Clc1ccc(-c2nnn[n-]2)c(OCc2cn3cc(Cl)ccc3n2)c1 ZINC000822568138 606779553 /nfs/dbraw/zinc/77/95/53/606779553.db2.gz MBXYFQMTLBSSKG-UHFFFAOYSA-N -1 3 361.192 3.400 20 0 FGADHM Clc1ccc(-c2nn[n-]n2)c(OCc2cn3cc(Cl)ccc3n2)c1 ZINC000822568138 606779555 /nfs/dbraw/zinc/77/95/55/606779555.db2.gz MBXYFQMTLBSSKG-UHFFFAOYSA-N -1 3 361.192 3.400 20 0 FGADHM Clc1ccc(-c2nnn[n-]2)c(OCc2noc(-c3ccsc3)n2)c1 ZINC000822574804 606783521 /nfs/dbraw/zinc/78/35/21/606783521.db2.gz ZOHFMCXXWZPELG-UHFFFAOYSA-N -1 3 360.786 3.211 20 0 FGADHM Clc1ccc(-c2nn[n-]n2)c(OCc2noc(-c3ccsc3)n2)c1 ZINC000822574804 606783525 /nfs/dbraw/zinc/78/35/25/606783525.db2.gz ZOHFMCXXWZPELG-UHFFFAOYSA-N -1 3 360.786 3.211 20 0 FGADHM CC(C)CC1(CNC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)CCC1 ZINC000820062192 606793496 /nfs/dbraw/zinc/79/34/96/606793496.db2.gz JDZOFZXSYSXLNF-UHFFFAOYSA-N -1 3 360.437 3.021 20 0 FGADHM CC(C)CC1(CNC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)CCC1 ZINC000820062192 606793498 /nfs/dbraw/zinc/79/34/98/606793498.db2.gz JDZOFZXSYSXLNF-UHFFFAOYSA-N -1 3 360.437 3.021 20 0 FGADHM CCN(C(=O)CC1CCSCC1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821147674 606799923 /nfs/dbraw/zinc/79/99/23/606799923.db2.gz HYQGQENTTSWJQS-ZDUSSCGKSA-N -1 3 359.499 3.310 20 0 FGADHM CCN(C(=O)CC1CCSCC1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821147674 606799925 /nfs/dbraw/zinc/79/99/25/606799925.db2.gz HYQGQENTTSWJQS-ZDUSSCGKSA-N -1 3 359.499 3.310 20 0 FGADHM CC(=O)c1ccc(OCCCOc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000819834201 606838495 /nfs/dbraw/zinc/83/84/95/606838495.db2.gz OBUVMDZHIKYHKQ-UHFFFAOYSA-N -1 3 356.357 3.056 20 0 FGADHM CC(=O)c1ccc(OCCCOc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000819834201 606838497 /nfs/dbraw/zinc/83/84/97/606838497.db2.gz OBUVMDZHIKYHKQ-UHFFFAOYSA-N -1 3 356.357 3.056 20 0 FGADHM CCc1nnc([C@@H](C)SCCCOc2cccc(-c3nnn[n-]3)c2)o1 ZINC000821517352 606841153 /nfs/dbraw/zinc/84/11/53/606841153.db2.gz IKGPTKCFUHPRKT-LLVKDONJSA-N -1 3 360.443 3.075 20 0 FGADHM CCc1nnc([C@@H](C)SCCCOc2cccc(-c3nn[n-]n3)c2)o1 ZINC000821517352 606841154 /nfs/dbraw/zinc/84/11/54/606841154.db2.gz IKGPTKCFUHPRKT-LLVKDONJSA-N -1 3 360.443 3.075 20 0 FGADHM CC[C@@H]1CC[C@H](C(=O)Nc2sc(-c3ccccc3)cc2-c2nnn[n-]2)O1 ZINC000820973212 606847803 /nfs/dbraw/zinc/84/78/03/606847803.db2.gz VBIMQDKVPBPTBD-TZMCWYRMSA-N -1 3 369.450 3.491 20 0 FGADHM CC[C@@H]1CC[C@H](C(=O)Nc2sc(-c3ccccc3)cc2-c2nn[n-]n2)O1 ZINC000820973212 606847805 /nfs/dbraw/zinc/84/78/05/606847805.db2.gz VBIMQDKVPBPTBD-TZMCWYRMSA-N -1 3 369.450 3.491 20 0 FGADHM COC(=O)c1ccc(CSCc2ccccc2-c2nnn[n-]2)cc1F ZINC000821669367 606848659 /nfs/dbraw/zinc/84/86/59/606848659.db2.gz IQCGTQFXJNNRSV-UHFFFAOYSA-N -1 3 358.398 3.226 20 0 FGADHM COC(=O)c1ccc(CSCc2ccccc2-c2nn[n-]n2)cc1F ZINC000821669367 606848661 /nfs/dbraw/zinc/84/86/61/606848661.db2.gz IQCGTQFXJNNRSV-UHFFFAOYSA-N -1 3 358.398 3.226 20 0 FGADHM Cc1noc(CCCOc2ccc(-c3ccc(-c4nnn[n-]4)cc3)cc2)n1 ZINC000822528000 606865714 /nfs/dbraw/zinc/86/57/14/606865714.db2.gz NRUWGAHQIHYZBZ-UHFFFAOYSA-N -1 3 362.393 3.237 20 0 FGADHM Cc1noc(CCCOc2ccc(-c3ccc(-c4nn[n-]n4)cc3)cc2)n1 ZINC000822528000 606865715 /nfs/dbraw/zinc/86/57/15/606865715.db2.gz NRUWGAHQIHYZBZ-UHFFFAOYSA-N -1 3 362.393 3.237 20 0 FGADHM CC1(C)CN(Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)c2ccccc21 ZINC000820601040 606881016 /nfs/dbraw/zinc/88/10/16/606881016.db2.gz AHYXERUJFDXNPW-UHFFFAOYSA-N -1 3 373.420 3.215 20 0 FGADHM CC1(C)CN(Cc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)c2ccccc21 ZINC000820601040 606881018 /nfs/dbraw/zinc/88/10/18/606881018.db2.gz AHYXERUJFDXNPW-UHFFFAOYSA-N -1 3 373.420 3.215 20 0 FGADHM C[C@H]1CC[C@H](C)N1C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820683821 606907476 /nfs/dbraw/zinc/90/74/76/606907476.db2.gz HSOUUIUDKVMMFQ-IUCAKERBSA-N -1 3 354.336 3.290 20 0 FGADHM C[C@H]1CC[C@H](C)N1C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820683821 606907478 /nfs/dbraw/zinc/90/74/78/606907478.db2.gz HSOUUIUDKVMMFQ-IUCAKERBSA-N -1 3 354.336 3.290 20 0 FGADHM Cc1ccc([C@@H](O)CNc2ccc(C(F)(F)F)cc2-c2nnn[n-]2)cc1 ZINC000822230873 606921375 /nfs/dbraw/zinc/92/13/75/606921375.db2.gz SNORNPPGLAKDPX-HNNXBMFYSA-N -1 3 363.343 3.339 20 0 FGADHM Cc1ccc([C@@H](O)CNc2ccc(C(F)(F)F)cc2-c2nn[n-]n2)cc1 ZINC000822230873 606921377 /nfs/dbraw/zinc/92/13/77/606921377.db2.gz SNORNPPGLAKDPX-HNNXBMFYSA-N -1 3 363.343 3.339 20 0 FGADHM FC(F)(F)c1ccc(NCc2cccc3c2OCO3)c(-c2nnn[n-]2)c1 ZINC000822727923 606923207 /nfs/dbraw/zinc/92/32/07/606923207.db2.gz CAZUMYHFEKTHQU-UHFFFAOYSA-N -1 3 363.299 3.226 20 0 FGADHM FC(F)(F)c1ccc(NCc2cccc3c2OCO3)c(-c2nn[n-]n2)c1 ZINC000822727923 606923209 /nfs/dbraw/zinc/92/32/09/606923209.db2.gz CAZUMYHFEKTHQU-UHFFFAOYSA-N -1 3 363.299 3.226 20 0 FGADHM CCOC(=O)C=Cc1ccc(NCc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000821325061 606924868 /nfs/dbraw/zinc/92/48/68/606924868.db2.gz BAUAPJVJDOGWNZ-UXBLZVDNSA-N -1 3 367.384 3.194 20 0 FGADHM CCOC(=O)C=Cc1ccc(NCc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000821325061 606924869 /nfs/dbraw/zinc/92/48/69/606924869.db2.gz BAUAPJVJDOGWNZ-UXBLZVDNSA-N -1 3 367.384 3.194 20 0 FGADHM CC(C)[C@@H]1c2ccccc2CCN1C(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000820051505 606940906 /nfs/dbraw/zinc/94/09/06/606940906.db2.gz PONRDGQXPGTIKL-HXUWFJFHSA-N -1 3 361.449 3.191 20 0 FGADHM CC(C)[C@@H]1c2ccccc2CCN1C(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000820051505 606940907 /nfs/dbraw/zinc/94/09/07/606940907.db2.gz PONRDGQXPGTIKL-HXUWFJFHSA-N -1 3 361.449 3.191 20 0 FGADHM O=C(OCCCOc1cccc(-c2nn[n-]n2)c1)c1cc2ccsc2[nH]1 ZINC000823400928 606943978 /nfs/dbraw/zinc/94/39/78/606943978.db2.gz LONDGNQAZNYJAQ-UHFFFAOYSA-N -1 3 369.406 3.035 20 0 FGADHM CCCCS[C@@H](C)C(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821077915 606959271 /nfs/dbraw/zinc/95/92/71/606959271.db2.gz WWUMWAJUICJKMM-JTQLQIEISA-N -1 3 353.879 3.405 20 0 FGADHM CCCCS[C@@H](C)C(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821077915 606959272 /nfs/dbraw/zinc/95/92/72/606959272.db2.gz WWUMWAJUICJKMM-JTQLQIEISA-N -1 3 353.879 3.405 20 0 FGADHM CN(C(=O)c1ccnc2ccccc21)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821574441 606963284 /nfs/dbraw/zinc/96/32/84/606963284.db2.gz GZWGZQVPCYRSTK-UHFFFAOYSA-N -1 3 364.796 3.345 20 0 FGADHM CN(C(=O)c1ccnc2ccccc21)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821574441 606963285 /nfs/dbraw/zinc/96/32/85/606963285.db2.gz GZWGZQVPCYRSTK-UHFFFAOYSA-N -1 3 364.796 3.345 20 0 FGADHM C[C@@H]1CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C[C@@H](c2ccc(F)cc2)O1 ZINC000820761317 606975832 /nfs/dbraw/zinc/97/58/32/606975832.db2.gz XAERLUXBCIDEQM-XIKOKIGWSA-N -1 3 371.391 3.107 20 0 FGADHM C[C@@H]1CN(Cc2ccc(F)c(-c3nn[n-]n3)c2)C[C@@H](c2ccc(F)cc2)O1 ZINC000820761317 606975833 /nfs/dbraw/zinc/97/58/33/606975833.db2.gz XAERLUXBCIDEQM-XIKOKIGWSA-N -1 3 371.391 3.107 20 0 FGADHM Cc1ccccc1[C@H]1CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)[C@@H](C)CO1 ZINC000822350747 606977518 /nfs/dbraw/zinc/97/75/18/606977518.db2.gz GOAHVVVVRALCPT-IFXJQAMLSA-N -1 3 367.428 3.276 20 0 FGADHM Cc1ccccc1[C@H]1CN(Cc2ccc(F)c(-c3nn[n-]n3)c2)[C@@H](C)CO1 ZINC000822350747 606977519 /nfs/dbraw/zinc/97/75/19/606977519.db2.gz GOAHVVVVRALCPT-IFXJQAMLSA-N -1 3 367.428 3.276 20 0 FGADHM CCC[C@H](NC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1F ZINC000821023374 606982351 /nfs/dbraw/zinc/98/23/51/606982351.db2.gz YSONXLYOLMSKAM-INIZCTEOSA-N -1 3 357.364 3.416 20 0 FGADHM CCC[C@H](NC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1F ZINC000821023374 606982353 /nfs/dbraw/zinc/98/23/53/606982353.db2.gz YSONXLYOLMSKAM-INIZCTEOSA-N -1 3 357.364 3.416 20 0 FGADHM COc1ccc(Cl)cc1C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000821823722 606988477 /nfs/dbraw/zinc/98/84/77/606988477.db2.gz BKNBXSIHKMXIQR-UHFFFAOYSA-N -1 3 362.748 3.025 20 0 FGADHM COc1ccc(Cl)cc1C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821823722 606988478 /nfs/dbraw/zinc/98/84/78/606988478.db2.gz BKNBXSIHKMXIQR-UHFFFAOYSA-N -1 3 362.748 3.025 20 0 FGADHM Cc1c2cc(C)ccc2[nH]c1C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000822271455 606992735 /nfs/dbraw/zinc/99/27/35/606992735.db2.gz ZZGCUQQMMOLEES-ZDUSSCGKSA-N -1 3 360.421 3.456 20 0 FGADHM Cc1c2cc(C)ccc2[nH]c1C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000822271455 606992737 /nfs/dbraw/zinc/99/27/37/606992737.db2.gz ZZGCUQQMMOLEES-ZDUSSCGKSA-N -1 3 360.421 3.456 20 0 FGADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc2ncccc2c1 ZINC000820001507 606997612 /nfs/dbraw/zinc/99/76/12/606997612.db2.gz PWJFDYGPKUGOKL-UHFFFAOYSA-N -1 3 374.404 3.211 20 0 FGADHM CC(C)(C)c1nc(C(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)cs1 ZINC000819965384 606997689 /nfs/dbraw/zinc/99/76/89/606997689.db2.gz DUGYIJQOUCADPF-UHFFFAOYSA-N -1 3 361.402 3.117 20 0 FGADHM CC(C)(C)c1nc(C(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)cs1 ZINC000819965384 606997691 /nfs/dbraw/zinc/99/76/91/606997691.db2.gz DUGYIJQOUCADPF-UHFFFAOYSA-N -1 3 361.402 3.117 20 0 FGADHM CC(C)(Cc1ccccc1)C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000819988454 606999611 /nfs/dbraw/zinc/99/96/11/606999611.db2.gz ZWKPIRSMFXPJQT-UHFFFAOYSA-N -1 3 354.385 3.318 20 0 FGADHM CC(C)(Cc1ccccc1)C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000819988454 606999613 /nfs/dbraw/zinc/99/96/13/606999613.db2.gz ZWKPIRSMFXPJQT-UHFFFAOYSA-N -1 3 354.385 3.318 20 0 FGADHM Cc1ccc(/C=C\CC(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000822233188 607004030 /nfs/dbraw/zinc/00/40/30/607004030.db2.gz JUDDLIJOFNOETD-IHWYPQMZSA-N -1 3 352.369 3.461 20 0 FGADHM Cc1ccc(/C=C\CC(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000822233188 607004032 /nfs/dbraw/zinc/00/40/32/607004032.db2.gz JUDDLIJOFNOETD-IHWYPQMZSA-N -1 3 352.369 3.461 20 0 FGADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)NC1(c2cccc(Cl)c2)CCCC1 ZINC000822632146 607009920 /nfs/dbraw/zinc/00/99/20/607009920.db2.gz SBELXQZWYKWIAX-UHFFFAOYSA-N -1 3 370.844 3.058 20 0 FGADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)NC1(c2cccc(Cl)c2)CCCC1 ZINC000822632146 607009922 /nfs/dbraw/zinc/00/99/22/607009922.db2.gz SBELXQZWYKWIAX-UHFFFAOYSA-N -1 3 370.844 3.058 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)Cc1ccc(C(C)(C)C)cc1 ZINC000821757573 607017503 /nfs/dbraw/zinc/01/75/03/607017503.db2.gz YVZOKZJQJDGAFF-UHFFFAOYSA-N -1 3 365.437 3.354 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)Cc1ccc(C(C)(C)C)cc1 ZINC000821757573 607017505 /nfs/dbraw/zinc/01/75/05/607017505.db2.gz YVZOKZJQJDGAFF-UHFFFAOYSA-N -1 3 365.437 3.354 20 0 FGADHM Cc1ccc(CSCC(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000822239989 607017594 /nfs/dbraw/zinc/01/75/94/607017594.db2.gz NKZJBARAJOUBDJ-UHFFFAOYSA-N -1 3 353.451 3.355 20 0 FGADHM Cc1ccc(CSCC(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000822239989 607017596 /nfs/dbraw/zinc/01/75/96/607017596.db2.gz NKZJBARAJOUBDJ-UHFFFAOYSA-N -1 3 353.451 3.355 20 0 FGADHM C[C@@H]1CC[C@H](CC(=O)N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC000820685415 607036354 /nfs/dbraw/zinc/03/63/54/607036354.db2.gz UHPQRZCUKCLPKT-CABCVRRESA-N -1 3 369.469 3.063 20 0 FGADHM CCc1nnc(NCc2ccc(OC)c(Cl)c2)c(-c2nnn[n-]2)c1CC ZINC000821542770 607037892 /nfs/dbraw/zinc/03/78/92/607037892.db2.gz ZELJEJKXPJCGBG-UHFFFAOYSA-N -1 3 373.848 3.056 20 0 FGADHM CCc1nnc(NCc2ccc(OC)c(Cl)c2)c(-c2nn[n-]n2)c1CC ZINC000821542770 607037893 /nfs/dbraw/zinc/03/78/93/607037893.db2.gz ZELJEJKXPJCGBG-UHFFFAOYSA-N -1 3 373.848 3.056 20 0 FGADHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000819997336 607045992 /nfs/dbraw/zinc/04/59/92/607045992.db2.gz UDVXBENCFCJFJJ-CWRNSKLLSA-N -1 3 369.469 3.109 20 0 FGADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000819997336 607045993 /nfs/dbraw/zinc/04/59/93/607045993.db2.gz UDVXBENCFCJFJJ-CWRNSKLLSA-N -1 3 369.469 3.109 20 0 FGADHM C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)N1Cc1cc(F)ccc1-c1nn[n-]n1 ZINC000820804353 607065691 /nfs/dbraw/zinc/06/56/91/607065691.db2.gz REGHMTQRKHPNPF-LPMFXHHGSA-N -1 3 367.428 3.356 20 0 FGADHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000823413321 607083165 /nfs/dbraw/zinc/08/31/65/607083165.db2.gz DQQZBUFVESLLRF-UONOGXRCSA-N -1 3 374.322 3.131 20 0 FGADHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000823413321 607083166 /nfs/dbraw/zinc/08/31/66/607083166.db2.gz DQQZBUFVESLLRF-UONOGXRCSA-N -1 3 374.322 3.131 20 0 FGADHM Cc1c([C@H](C)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)nnn1-c1ccccc1 ZINC000822020683 607088549 /nfs/dbraw/zinc/08/85/49/607088549.db2.gz GSDZNGIDLNQNTE-KGLIPLIRSA-N -1 3 374.452 3.168 20 0 FGADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)O[C@H]1CCc2sc(Cl)cc21 ZINC000823077880 607094368 /nfs/dbraw/zinc/09/43/68/607094368.db2.gz BRTHXVCJUPTCFM-LBPRGKRZSA-N -1 3 360.826 3.355 20 0 FGADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)O[C@H]1CCc2sc(Cl)cc21 ZINC000823077880 607094370 /nfs/dbraw/zinc/09/43/70/607094370.db2.gz BRTHXVCJUPTCFM-LBPRGKRZSA-N -1 3 360.826 3.355 20 0 FGADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cccc2c1ccn2C ZINC000821305143 607102528 /nfs/dbraw/zinc/10/25/28/607102528.db2.gz YYMYNUUWOKLVHF-UHFFFAOYSA-N -1 3 361.409 3.043 20 0 FGADHM Cc1coc(-c2ccc(C)c(NC(=O)Cc3ccc(-c4nnn[n-]4)cc3)c2)n1 ZINC000822402771 607132096 /nfs/dbraw/zinc/13/20/96/607132096.db2.gz FVCCSVNULHMLOI-UHFFFAOYSA-N -1 3 374.404 3.320 20 0 FGADHM Cc1coc(-c2ccc(C)c(NC(=O)Cc3ccc(-c4nn[n-]n4)cc3)c2)n1 ZINC000822402771 607132098 /nfs/dbraw/zinc/13/20/98/607132098.db2.gz FVCCSVNULHMLOI-UHFFFAOYSA-N -1 3 374.404 3.320 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)NC2CC=CC2)cc1 ZINC000822136943 607133082 /nfs/dbraw/zinc/13/30/82/607133082.db2.gz QIXRVUOHYLQIKL-UHFFFAOYSA-N -1 3 361.405 3.416 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)NC2CC=CC2)cc1 ZINC000822136943 607133084 /nfs/dbraw/zinc/13/30/84/607133084.db2.gz QIXRVUOHYLQIKL-UHFFFAOYSA-N -1 3 361.405 3.416 20 0 FGADHM Fc1cc(F)c2ncc(-c3nnn[n-]3)c(N[C@H]3CCOC4(CCC4)C3)c2c1 ZINC000822753166 607133944 /nfs/dbraw/zinc/13/39/44/607133944.db2.gz HINVGXRLWCZAKD-NSHDSACASA-N -1 3 372.379 3.207 20 0 FGADHM Fc1cc(F)c2ncc(-c3nn[n-]n3)c(N[C@H]3CCOC4(CCC4)C3)c2c1 ZINC000822753166 607133945 /nfs/dbraw/zinc/13/39/45/607133945.db2.gz HINVGXRLWCZAKD-NSHDSACASA-N -1 3 372.379 3.207 20 0 FGADHM Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(-c3nnn[n-]3)cc2F)cc1C ZINC000822242697 607136725 /nfs/dbraw/zinc/13/67/25/607136725.db2.gz UVOKTBZQDCEBQH-GFCCVEGCSA-N -1 3 355.373 3.029 20 0 FGADHM Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2F)cc1C ZINC000822242697 607136727 /nfs/dbraw/zinc/13/67/27/607136727.db2.gz UVOKTBZQDCEBQH-GFCCVEGCSA-N -1 3 355.373 3.029 20 0 FGADHM CN(C)C(=O)Sc1ccc(COc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000821578132 607137823 /nfs/dbraw/zinc/13/78/23/607137823.db2.gz OXBYSFWNIGGMOZ-UHFFFAOYSA-N -1 3 373.413 3.359 20 0 FGADHM CN(C)C(=O)Sc1ccc(COc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000821578132 607137825 /nfs/dbraw/zinc/13/78/25/607137825.db2.gz OXBYSFWNIGGMOZ-UHFFFAOYSA-N -1 3 373.413 3.359 20 0 FGADHM Cc1cc(NC(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cnc1Cl ZINC000822208481 607139614 /nfs/dbraw/zinc/13/96/14/607139614.db2.gz UMNKRAGPHYZLOZ-JTQLQIEISA-N -1 3 357.805 3.106 20 0 FGADHM Cc1cc(NC(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cnc1Cl ZINC000822208481 607139616 /nfs/dbraw/zinc/13/96/16/607139616.db2.gz UMNKRAGPHYZLOZ-JTQLQIEISA-N -1 3 357.805 3.106 20 0 FGADHM Fc1cc(-c2nnn[n-]2)ccc1OCc1csc(Br)c1 ZINC000822748334 607140383 /nfs/dbraw/zinc/14/03/83/607140383.db2.gz UOIWBVSHMXAWFP-UHFFFAOYSA-N -1 3 355.192 3.409 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1OCc1csc(Br)c1 ZINC000822748334 607140384 /nfs/dbraw/zinc/14/03/84/607140384.db2.gz UOIWBVSHMXAWFP-UHFFFAOYSA-N -1 3 355.192 3.409 20 0 FGADHM O=C(c1ccc(F)c(Cl)c1)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000823488698 607146037 /nfs/dbraw/zinc/14/60/37/607146037.db2.gz SLCMMPFYUSWOMW-UHFFFAOYSA-N -1 3 371.803 3.464 20 0 FGADHM O=C(c1ccc(F)c(Cl)c1)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000823488698 607146038 /nfs/dbraw/zinc/14/60/38/607146038.db2.gz SLCMMPFYUSWOMW-UHFFFAOYSA-N -1 3 371.803 3.464 20 0 FGADHM CN(C(=O)c1cc(C(F)(F)F)ccc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000821573446 607157222 /nfs/dbraw/zinc/15/72/22/607157222.db2.gz QLFKEZZDHZFEBX-UHFFFAOYSA-N -1 3 365.290 3.301 20 0 FGADHM CN(C(=O)c1cc(C(F)(F)F)ccc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000821573446 607157223 /nfs/dbraw/zinc/15/72/23/607157223.db2.gz QLFKEZZDHZFEBX-UHFFFAOYSA-N -1 3 365.290 3.301 20 0 FGADHM O=C(COc1ccc(Cl)cc1)CSc1cccc(-c2nnn[n-]2)c1 ZINC000823040975 607170202 /nfs/dbraw/zinc/17/02/02/607170202.db2.gz UMGLKDDJUGQGSD-UHFFFAOYSA-N -1 3 360.826 3.260 20 0 FGADHM O=C(COc1ccc(Cl)cc1)CSc1cccc(-c2nn[n-]n2)c1 ZINC000823040975 607170203 /nfs/dbraw/zinc/17/02/03/607170203.db2.gz UMGLKDDJUGQGSD-UHFFFAOYSA-N -1 3 360.826 3.260 20 0 FGADHM CC1(C)[C@H](Nc2ccc(C(F)(F)F)cc2-c2nnn[n-]2)[C@@H]2CCO[C@@H]21 ZINC000820584906 607173358 /nfs/dbraw/zinc/17/33/58/607173358.db2.gz LFAGGUDVQAMIQU-BIMULSAOSA-N -1 3 353.348 3.111 20 0 FGADHM CC1(C)[C@H](Nc2ccc(C(F)(F)F)cc2-c2nn[n-]n2)[C@@H]2CCO[C@@H]21 ZINC000820584906 607173359 /nfs/dbraw/zinc/17/33/59/607173359.db2.gz LFAGGUDVQAMIQU-BIMULSAOSA-N -1 3 353.348 3.111 20 0 FGADHM O=C(Cc1ccc(F)cc1Cl)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000823082241 607178126 /nfs/dbraw/zinc/17/81/26/607178126.db2.gz FASGUGIVTSZETE-UHFFFAOYSA-N -1 3 366.183 3.494 20 0 FGADHM O=C(Cc1ccc(F)cc1Cl)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000823082241 607178127 /nfs/dbraw/zinc/17/81/27/607178127.db2.gz FASGUGIVTSZETE-UHFFFAOYSA-N -1 3 366.183 3.494 20 0 FGADHM O=C(CCc1cc(F)ccc1F)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000822974602 607189462 /nfs/dbraw/zinc/18/94/62/607189462.db2.gz UCNUJKWVJPKYBK-UHFFFAOYSA-N -1 3 363.755 3.370 20 0 FGADHM O=C(CCc1cc(F)ccc1F)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822974602 607189463 /nfs/dbraw/zinc/18/94/63/607189463.db2.gz UCNUJKWVJPKYBK-UHFFFAOYSA-N -1 3 363.755 3.370 20 0 FGADHM O=C(CCOCc1ccccc1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000822974571 607189636 /nfs/dbraw/zinc/18/96/36/607189636.db2.gz RVFDMGDQRCUMRF-UHFFFAOYSA-N -1 3 357.801 3.066 20 0 FGADHM O=C(CCOCc1ccccc1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822974571 607189637 /nfs/dbraw/zinc/18/96/37/607189637.db2.gz RVFDMGDQRCUMRF-UHFFFAOYSA-N -1 3 357.801 3.066 20 0 FGADHM C[C@H](Oc1cccc(F)c1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820536480 607189894 /nfs/dbraw/zinc/18/98/94/607189894.db2.gz USWHAEXSYARMIK-VIFPVBQESA-N -1 3 361.764 3.065 20 0 FGADHM C[C@H](Oc1cccc(F)c1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820536480 607189895 /nfs/dbraw/zinc/18/98/95/607189895.db2.gz USWHAEXSYARMIK-VIFPVBQESA-N -1 3 361.764 3.065 20 0 FGADHM CCOc1ccccc1CNC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821430666 607197231 /nfs/dbraw/zinc/19/72/31/607197231.db2.gz BUILVOPAVGTJTK-UHFFFAOYSA-N -1 3 372.816 3.241 20 0 FGADHM CCOc1ccccc1CNC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821430666 607197232 /nfs/dbraw/zinc/19/72/32/607197232.db2.gz BUILVOPAVGTJTK-UHFFFAOYSA-N -1 3 372.816 3.241 20 0 FGADHM C[C@H](Cc1ccccc1F)NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820300349 607199574 /nfs/dbraw/zinc/19/95/74/607199574.db2.gz QCMGRJFUBAQLMI-SNVBAGLBSA-N -1 3 374.807 3.412 20 0 FGADHM C[C@H](Cc1ccccc1F)NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820300349 607199575 /nfs/dbraw/zinc/19/95/75/607199575.db2.gz QCMGRJFUBAQLMI-SNVBAGLBSA-N -1 3 374.807 3.412 20 0 FGADHM Cc1cc(C)n(CCCNc2cc(-c3nnn[n-]3)ccc2C(F)(F)F)n1 ZINC000822199082 607226334 /nfs/dbraw/zinc/22/63/34/607226334.db2.gz VYASLISSVVXMBE-UHFFFAOYSA-N -1 3 365.363 3.201 20 0 FGADHM Cc1cc(C)n(CCCNc2cc(-c3nn[n-]n3)ccc2C(F)(F)F)n1 ZINC000822199082 607226335 /nfs/dbraw/zinc/22/63/35/607226335.db2.gz VYASLISSVVXMBE-UHFFFAOYSA-N -1 3 365.363 3.201 20 0 FGADHM O=C(Nc1cccc2c1CCCC2)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000823368026 607232110 /nfs/dbraw/zinc/23/21/10/607232110.db2.gz RRHBEBNFOGDRPE-UHFFFAOYSA-N -1 3 354.801 3.046 20 0 FGADHM O=C(Nc1cccc2c1CCCC2)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000823368026 607232111 /nfs/dbraw/zinc/23/21/11/607232111.db2.gz RRHBEBNFOGDRPE-UHFFFAOYSA-N -1 3 354.801 3.046 20 0 FGADHM C[C@@H](COc1ccccc1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820294041 607241230 /nfs/dbraw/zinc/24/12/30/607241230.db2.gz QKFATARBWPVCRS-NSHDSACASA-N -1 3 357.801 3.174 20 0 FGADHM C[C@@H](COc1ccccc1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820294041 607241231 /nfs/dbraw/zinc/24/12/31/607241231.db2.gz QKFATARBWPVCRS-NSHDSACASA-N -1 3 357.801 3.174 20 0 FGADHM Cc1noc(C(F)(F)F)c1C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822519697 607241487 /nfs/dbraw/zinc/24/14/87/607241487.db2.gz KWPNLLDIIYIFRC-UHFFFAOYSA-N -1 3 372.694 3.088 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1ccc(F)c(F)c1F ZINC000823319052 607243172 /nfs/dbraw/zinc/24/31/72/607243172.db2.gz PPTRQVJKKDASEJ-UHFFFAOYSA-N -1 3 353.691 3.190 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1ccc(F)c(F)c1F ZINC000823319052 607243173 /nfs/dbraw/zinc/24/31/73/607243173.db2.gz PPTRQVJKKDASEJ-UHFFFAOYSA-N -1 3 353.691 3.190 20 0 FGADHM O=C(CSc1ccc(Cl)cc1)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000823066276 607244733 /nfs/dbraw/zinc/24/47/33/607244733.db2.gz SNMHBZUEBOKNDR-UHFFFAOYSA-N -1 3 364.789 3.357 20 0 FGADHM O=C(CSc1ccc(Cl)cc1)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000823066276 607244734 /nfs/dbraw/zinc/24/47/34/607244734.db2.gz SNMHBZUEBOKNDR-UHFFFAOYSA-N -1 3 364.789 3.357 20 0 FGADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)c1ccc(F)c(C(F)(F)F)c1 ZINC000823451052 607245884 /nfs/dbraw/zinc/24/58/84/607245884.db2.gz TWZWSYUFIDSCLZ-UHFFFAOYSA-N -1 3 370.237 3.383 20 0 FGADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)c1ccc(F)c(C(F)(F)F)c1 ZINC000823451052 607245885 /nfs/dbraw/zinc/24/58/85/607245885.db2.gz TWZWSYUFIDSCLZ-UHFFFAOYSA-N -1 3 370.237 3.383 20 0 FGADHM C[C@H](Oc1cccc(Cl)c1)C(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000820536425 607246937 /nfs/dbraw/zinc/24/69/37/607246937.db2.gz SXPSWOPOFCGJHO-VIFPVBQESA-N -1 3 362.748 3.032 20 0 FGADHM C[C@H](Oc1cccc(Cl)c1)C(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000820536425 607246938 /nfs/dbraw/zinc/24/69/38/607246938.db2.gz SXPSWOPOFCGJHO-VIFPVBQESA-N -1 3 362.748 3.032 20 0 FGADHM CC[C@H](C)OCC(=O)Oc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000825074034 607779061 /nfs/dbraw/zinc/77/90/61/607779061.db2.gz CVKZHIJXJWJNIE-ZDUSSCGKSA-N -1 3 368.393 3.380 20 0 FGADHM CC[C@H](C)OCC(=O)Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825074034 607779062 /nfs/dbraw/zinc/77/90/62/607779062.db2.gz CVKZHIJXJWJNIE-ZDUSSCGKSA-N -1 3 368.393 3.380 20 0 FGADHM c1cc(OCCSCc2nc(C3CCCC3)no2)cc(-c2nnn[n-]2)c1 ZINC000826517600 607785111 /nfs/dbraw/zinc/78/51/11/607785111.db2.gz IXTCTXRRHOPDMA-UHFFFAOYSA-N -1 3 372.454 3.220 20 0 FGADHM c1cc(OCCSCc2nc(C3CCCC3)no2)cc(-c2nn[n-]n2)c1 ZINC000826517600 607785112 /nfs/dbraw/zinc/78/51/12/607785112.db2.gz IXTCTXRRHOPDMA-UHFFFAOYSA-N -1 3 372.454 3.220 20 0 FGADHM Cc1ccc2c(CCC(=O)N(C)c3ccccc3-c3nnn[n-]3)c[nH]c2c1 ZINC000826293143 607786968 /nfs/dbraw/zinc/78/69/68/607786968.db2.gz CLTXUMVPEJZRFG-UHFFFAOYSA-N -1 3 360.421 3.252 20 0 FGADHM Cc1ccc2c(CCC(=O)N(C)c3ccccc3-c3nn[n-]n3)c[nH]c2c1 ZINC000826293143 607786969 /nfs/dbraw/zinc/78/69/69/607786969.db2.gz CLTXUMVPEJZRFG-UHFFFAOYSA-N -1 3 360.421 3.252 20 0 FGADHM Cc1cc(O[C@@H](C)C(=O)N(C)c2ccccc2-c2nnn[n-]2)ccc1Cl ZINC000826271841 607787588 /nfs/dbraw/zinc/78/75/88/607787588.db2.gz JWZYGGRVAPIFFF-LBPRGKRZSA-N -1 3 371.828 3.259 20 0 FGADHM Cc1cc(O[C@@H](C)C(=O)N(C)c2ccccc2-c2nn[n-]n2)ccc1Cl ZINC000826271841 607787589 /nfs/dbraw/zinc/78/75/89/607787589.db2.gz JWZYGGRVAPIFFF-LBPRGKRZSA-N -1 3 371.828 3.259 20 0 FGADHM COc1ccc2oc(C(=O)N(C)c3ccccc3-c3nnn[n-]3)c(C)c2c1 ZINC000826213657 607788349 /nfs/dbraw/zinc/78/83/49/607788349.db2.gz GDUBCMOCLUAWPG-UHFFFAOYSA-N -1 3 363.377 3.207 20 0 FGADHM COc1ccc2oc(C(=O)N(C)c3ccccc3-c3nn[n-]n3)c(C)c2c1 ZINC000826213657 607788350 /nfs/dbraw/zinc/78/83/50/607788350.db2.gz GDUBCMOCLUAWPG-UHFFFAOYSA-N -1 3 363.377 3.207 20 0 FGADHM COc1ccc([C@H](C)CC(=O)N(C)c2ccccc2-c2nnn[n-]2)cc1 ZINC000826187919 607789291 /nfs/dbraw/zinc/78/92/91/607789291.db2.gz IPDBESRTEUPPJA-CYBMUJFWSA-N -1 3 351.410 3.032 20 0 FGADHM COc1ccc([C@H](C)CC(=O)N(C)c2ccccc2-c2nn[n-]n2)cc1 ZINC000826187919 607789292 /nfs/dbraw/zinc/78/92/92/607789292.db2.gz IPDBESRTEUPPJA-CYBMUJFWSA-N -1 3 351.410 3.032 20 0 FGADHM CCN(C(=O)Cc1csc(C(C)(C)C)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825376868 607796526 /nfs/dbraw/zinc/79/65/26/607796526.db2.gz OLEPOXLSPJUDHR-UHFFFAOYSA-N -1 3 370.482 3.216 20 0 FGADHM CCN(C(=O)Cc1csc(C(C)(C)C)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825376868 607796527 /nfs/dbraw/zinc/79/65/27/607796527.db2.gz OLEPOXLSPJUDHR-UHFFFAOYSA-N -1 3 370.482 3.216 20 0 FGADHM CCN(C(=O)CSCc1ccc(F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825377239 607797550 /nfs/dbraw/zinc/79/75/50/607797550.db2.gz YOJPBBSKPGOJSE-UHFFFAOYSA-N -1 3 371.441 3.292 20 0 FGADHM CCN(C(=O)CSCc1ccc(F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825377239 607797551 /nfs/dbraw/zinc/79/75/51/607797551.db2.gz YOJPBBSKPGOJSE-UHFFFAOYSA-N -1 3 371.441 3.292 20 0 FGADHM Clc1cc(-c2nnn[n-]2)cnc1N[C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000826350999 607811310 /nfs/dbraw/zinc/81/13/10/607811310.db2.gz TZAJEKNVDUVQHA-BLLLJJGKSA-N -1 3 370.844 3.495 20 0 FGADHM Clc1cc(-c2nn[n-]n2)cnc1N[C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000826350999 607811311 /nfs/dbraw/zinc/81/13/11/607811311.db2.gz TZAJEKNVDUVQHA-BLLLJJGKSA-N -1 3 370.844 3.495 20 0 FGADHM CC(C)[C@H](O)C(C)(C)CNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000824199643 607819803 /nfs/dbraw/zinc/81/98/03/607819803.db2.gz KNBMNEYLMNPWIO-ZDUSSCGKSA-N -1 3 357.380 3.341 20 0 FGADHM CC(C)[C@H](O)C(C)(C)CNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000824199643 607819804 /nfs/dbraw/zinc/81/98/04/607819804.db2.gz KNBMNEYLMNPWIO-ZDUSSCGKSA-N -1 3 357.380 3.341 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)CCCSC(C)(C)C ZINC000825609362 607826302 /nfs/dbraw/zinc/82/63/02/607826302.db2.gz KXXHOWINFDTZSS-UHFFFAOYSA-N -1 3 364.471 3.483 20 0 FGADHM C[C@H]1CSc2ccccc2N(C(=O)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000825012203 607831823 /nfs/dbraw/zinc/83/18/23/607831823.db2.gz FBFREGCYUDKXJS-CYBMUJFWSA-N -1 3 365.462 3.184 20 0 FGADHM C[C@H]1CSc2ccccc2N(C(=O)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000825012203 607831824 /nfs/dbraw/zinc/83/18/24/607831824.db2.gz FBFREGCYUDKXJS-CYBMUJFWSA-N -1 3 365.462 3.184 20 0 FGADHM O=C(NC(C1CC1)C1CC1)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000826426764 607833530 /nfs/dbraw/zinc/83/35/30/607833530.db2.gz WEYDLGMSQQIDMZ-UHFFFAOYSA-N -1 3 352.225 3.092 20 0 FGADHM O=C(NC(C1CC1)C1CC1)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000826426764 607833531 /nfs/dbraw/zinc/83/35/31/607833531.db2.gz WEYDLGMSQQIDMZ-UHFFFAOYSA-N -1 3 352.225 3.092 20 0 FGADHM Cc1noc(C)c1[C@H](C)CC(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826338187 607837129 /nfs/dbraw/zinc/83/71/29/607837129.db2.gz NJHBGMLKLSSCLL-ZYHUDNBSSA-N -1 3 355.398 3.270 20 0 FGADHM Cc1noc(C)c1[C@H](C)CC(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826338187 607837130 /nfs/dbraw/zinc/83/71/30/607837130.db2.gz NJHBGMLKLSSCLL-ZYHUDNBSSA-N -1 3 355.398 3.270 20 0 FGADHM CC(C)[C@@H](Sc1ccc(-c2nnn[n-]2)cc1Cl)C(=O)N1CCCC1 ZINC000824207691 607844322 /nfs/dbraw/zinc/84/43/22/607844322.db2.gz ZLDAVYDUEJTHTJ-CQSZACIVSA-N -1 3 365.890 3.259 20 0 FGADHM CC(C)[C@@H](Sc1ccc(-c2nn[n-]n2)cc1Cl)C(=O)N1CCCC1 ZINC000824207691 607844323 /nfs/dbraw/zinc/84/43/23/607844323.db2.gz ZLDAVYDUEJTHTJ-CQSZACIVSA-N -1 3 365.890 3.259 20 0 FGADHM Cc1cccc(CN(Cc2ccccn2)c2ncccc2-c2nnn[n-]2)c1 ZINC000826298580 607849603 /nfs/dbraw/zinc/84/96/03/607849603.db2.gz ZTKMJUSKOMQQJG-UHFFFAOYSA-N -1 3 357.421 3.172 20 0 FGADHM Cc1cccc(CN(Cc2ccccn2)c2ncccc2-c2nn[n-]n2)c1 ZINC000826298580 607849604 /nfs/dbraw/zinc/84/96/04/607849604.db2.gz ZTKMJUSKOMQQJG-UHFFFAOYSA-N -1 3 357.421 3.172 20 0 FGADHM O[C@@H](COc1ccc(-c2nnn[n-]2)c(F)c1)c1ccc(C(F)(F)F)cc1 ZINC000826504050 607873869 /nfs/dbraw/zinc/87/38/69/607873869.db2.gz MAKIBXHATLTKJP-AWEZNQCLSA-N -1 3 368.290 3.137 20 0 FGADHM O[C@@H](COc1ccc(-c2nn[n-]n2)c(F)c1)c1ccc(C(F)(F)F)cc1 ZINC000826504050 607873870 /nfs/dbraw/zinc/87/38/70/607873870.db2.gz MAKIBXHATLTKJP-AWEZNQCLSA-N -1 3 368.290 3.137 20 0 FGADHM CCN(C(=O)c1ccc(Cl)o1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825385828 607878308 /nfs/dbraw/zinc/87/83/08/607878308.db2.gz SXOMLQSLSOSMGX-UHFFFAOYSA-N -1 3 352.181 3.433 20 0 FGADHM CCN(C(=O)c1ccc(Cl)o1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825385828 607878309 /nfs/dbraw/zinc/87/83/09/607878309.db2.gz SXOMLQSLSOSMGX-UHFFFAOYSA-N -1 3 352.181 3.433 20 0 FGADHM CCN(C(=O)COC1CCCCC1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825372468 607878769 /nfs/dbraw/zinc/87/87/69/607878769.db2.gz ZRRLNODGOVRTFP-UHFFFAOYSA-N -1 3 363.849 3.222 20 0 FGADHM CCN(C(=O)COC1CCCCC1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825372468 607878770 /nfs/dbraw/zinc/87/87/70/607878770.db2.gz ZRRLNODGOVRTFP-UHFFFAOYSA-N -1 3 363.849 3.222 20 0 FGADHM CC(C)[C@@H](C(=O)OCc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1 ZINC000824185149 607917881 /nfs/dbraw/zinc/91/78/81/607917881.db2.gz RUBQCFPHOKJOSV-QGZVFWFLSA-N -1 3 354.385 3.489 20 0 FGADHM CC(C)[C@@H](C(=O)OCc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1 ZINC000824185149 607917882 /nfs/dbraw/zinc/91/78/82/607917882.db2.gz RUBQCFPHOKJOSV-QGZVFWFLSA-N -1 3 354.385 3.489 20 0 FGADHM c1ccc2c(c1)oc1c2ncnc1N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826524179 607936474 /nfs/dbraw/zinc/93/64/74/607936474.db2.gz LPQARPKSHLWMDU-UHFFFAOYSA-N -1 3 355.361 3.250 20 0 FGADHM c1ccc2c(c1)oc1c2ncnc1N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826524179 607936475 /nfs/dbraw/zinc/93/64/75/607936475.db2.gz LPQARPKSHLWMDU-UHFFFAOYSA-N -1 3 355.361 3.250 20 0 FGADHM O=C(c1cc2c(cccc2F)s1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826470285 607952041 /nfs/dbraw/zinc/95/20/41/607952041.db2.gz LCJASTNEOLICHB-UHFFFAOYSA-N -1 3 365.393 3.423 20 0 FGADHM O=C(c1cc2c(cccc2F)s1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826470285 607952042 /nfs/dbraw/zinc/95/20/42/607952042.db2.gz LCJASTNEOLICHB-UHFFFAOYSA-N -1 3 365.393 3.423 20 0 FGADHM Cn1c(C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)ccc1-c1ccccc1 ZINC000826354977 607952462 /nfs/dbraw/zinc/95/24/62/607952462.db2.gz DUNKGEUWERILFQ-UHFFFAOYSA-N -1 3 370.416 3.075 20 0 FGADHM Cn1c(C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)ccc1-c1ccccc1 ZINC000826354977 607952463 /nfs/dbraw/zinc/95/24/63/607952463.db2.gz DUNKGEUWERILFQ-UHFFFAOYSA-N -1 3 370.416 3.075 20 0 FGADHM CC(C)(C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21)c1cccc(Cl)c1 ZINC000824059385 607954746 /nfs/dbraw/zinc/95/47/46/607954746.db2.gz RXMNLBRSQVGHKJ-UHFFFAOYSA-N -1 3 367.840 3.387 20 0 FGADHM CC(C)(C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21)c1cccc(Cl)c1 ZINC000824059385 607954747 /nfs/dbraw/zinc/95/47/47/607954747.db2.gz RXMNLBRSQVGHKJ-UHFFFAOYSA-N -1 3 367.840 3.387 20 0 FGADHM Cc1cc(C(=O)Nc2sccc2-c2nnn[n-]2)ccc1Br ZINC000826261073 607962535 /nfs/dbraw/zinc/96/25/35/607962535.db2.gz PSJKGCHWTQYPGD-UHFFFAOYSA-N -1 3 364.228 3.251 20 0 FGADHM Cc1cc(C(=O)Nc2sccc2-c2nn[n-]n2)ccc1Br ZINC000826261073 607962536 /nfs/dbraw/zinc/96/25/36/607962536.db2.gz PSJKGCHWTQYPGD-UHFFFAOYSA-N -1 3 364.228 3.251 20 0 FGADHM COc1ccc(-c2nc3ccccc3n2CC(F)(F)F)cc1-c1nnn[n-]1 ZINC000826181527 607974217 /nfs/dbraw/zinc/97/42/17/607974217.db2.gz CCQQBBRXHSHWHY-UHFFFAOYSA-N -1 3 374.326 3.454 20 0 FGADHM COc1ccc(-c2nc3ccccc3n2CC(F)(F)F)cc1-c1nn[n-]n1 ZINC000826181527 607974218 /nfs/dbraw/zinc/97/42/18/607974218.db2.gz CCQQBBRXHSHWHY-UHFFFAOYSA-N -1 3 374.326 3.454 20 0 FGADHM O[C@@H](COc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)cc1Cl ZINC000826503686 607982127 /nfs/dbraw/zinc/98/21/27/607982127.db2.gz CVQBPVSWWYZYLT-AWEZNQCLSA-N -1 3 351.193 3.286 20 0 FGADHM Cc1ccc(-c2ncco2)cc1NCCOc1cccc(-c2nnn[n-]2)c1 ZINC000826273901 607982840 /nfs/dbraw/zinc/98/28/40/607982840.db2.gz ZJTCJIMBPXWXBW-UHFFFAOYSA-N -1 3 362.393 3.321 20 0 FGADHM Cc1ccc(-c2ncco2)cc1NCCOc1cccc(-c2nn[n-]n2)c1 ZINC000826273901 607982841 /nfs/dbraw/zinc/98/28/41/607982841.db2.gz ZJTCJIMBPXWXBW-UHFFFAOYSA-N -1 3 362.393 3.321 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CC1CCC(OC)CC1 ZINC000825332372 607985380 /nfs/dbraw/zinc/98/53/80/607985380.db2.gz HDRIBYDQAKETDE-UHFFFAOYSA-N -1 3 372.473 3.222 20 0 FGADHM Fc1cccc(N(Cc2ccco2)Cc2cccnc2)c1-c1nnn[n-]1 ZINC000826377372 608016166 /nfs/dbraw/zinc/01/61/66/608016166.db2.gz OQZNYZSAKGLPNS-UHFFFAOYSA-N -1 3 350.357 3.201 20 0 FGADHM Fc1cccc(N(Cc2ccco2)Cc2cccnc2)c1-c1nn[n-]n1 ZINC000826377372 608016167 /nfs/dbraw/zinc/01/61/67/608016167.db2.gz OQZNYZSAKGLPNS-UHFFFAOYSA-N -1 3 350.357 3.201 20 0 FGADHM COc1ccccc1[C@@H](Nc1ccc(-c2nn[n-]n2)cc1)c1ccccn1 ZINC000826218869 608017063 /nfs/dbraw/zinc/01/70/63/608017063.db2.gz MYGIIATYGDPMKJ-LJQANCHMSA-N -1 3 358.405 3.472 20 0 FGADHM FC(F)(F)c1cc(NCc2ncc(C3CC3)o2)ccc1-c1nnn[n-]1 ZINC000826368468 608019026 /nfs/dbraw/zinc/01/90/26/608019026.db2.gz QMDKOCBFQOMBGJ-UHFFFAOYSA-N -1 3 350.304 3.363 20 0 FGADHM FC(F)(F)c1cc(NCc2ncc(C3CC3)o2)ccc1-c1nn[n-]n1 ZINC000826368468 608019027 /nfs/dbraw/zinc/01/90/27/608019027.db2.gz QMDKOCBFQOMBGJ-UHFFFAOYSA-N -1 3 350.304 3.363 20 0 FGADHM Brc1cc(-c2nn[n-]n2)ccc1NCCCc1nccs1 ZINC000823827172 608050007 /nfs/dbraw/zinc/05/00/07/608050007.db2.gz VTPBVXJRUKLQPV-UHFFFAOYSA-N -1 3 365.260 3.130 20 0 FGADHM FC(F)(F)CCCNc1ccc(-c2nn[n-]n2)cc1Br ZINC000826367751 608050940 /nfs/dbraw/zinc/05/09/40/608050940.db2.gz MRSOWWUEMNAYDD-UHFFFAOYSA-N -1 3 350.142 3.384 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)CCCc1cc(F)ccc1F ZINC000826278014 608057550 /nfs/dbraw/zinc/05/75/50/608057550.db2.gz OONVMZNRFBLECN-UHFFFAOYSA-N -1 3 357.364 3.415 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)CCCc1cc(F)ccc1F ZINC000826278014 608057551 /nfs/dbraw/zinc/05/75/51/608057551.db2.gz OONVMZNRFBLECN-UHFFFAOYSA-N -1 3 357.364 3.415 20 0 FGADHM CCN(C(=O)CSCC(F)(F)F)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825371965 608058157 /nfs/dbraw/zinc/05/81/57/608058157.db2.gz OVEAGCLYPBXILO-JTQLQIEISA-N -1 3 373.404 3.072 20 0 FGADHM CCN(C(=O)CSCC(F)(F)F)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825371965 608058158 /nfs/dbraw/zinc/05/81/58/608058158.db2.gz OVEAGCLYPBXILO-JTQLQIEISA-N -1 3 373.404 3.072 20 0 FGADHM C[C@H](c1ccc(F)c(F)c1)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824763209 608067132 /nfs/dbraw/zinc/06/71/32/608067132.db2.gz LCOYNIGLUANOBV-XIKOKIGWSA-N -1 3 371.391 3.279 20 0 FGADHM C[C@H](c1ccc(F)c(F)c1)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824763209 608067133 /nfs/dbraw/zinc/06/71/33/608067133.db2.gz LCOYNIGLUANOBV-XIKOKIGWSA-N -1 3 371.391 3.279 20 0 FGADHM Clc1cccc(CN2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)c1 ZINC000826353446 608067430 /nfs/dbraw/zinc/06/74/30/608067430.db2.gz PMXGVVBOYKSSGR-KRWDZBQOSA-N -1 3 355.829 3.094 20 0 FGADHM Clc1cccc(CN2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)c1 ZINC000826353446 608067431 /nfs/dbraw/zinc/06/74/31/608067431.db2.gz PMXGVVBOYKSSGR-KRWDZBQOSA-N -1 3 355.829 3.094 20 0 FGADHM CN(C(=O)CCCc1cc(F)ccc1F)c1ccccc1-c1nnn[n-]1 ZINC000825817164 608071591 /nfs/dbraw/zinc/07/15/91/608071591.db2.gz DHPIBFWDVCTXCV-UHFFFAOYSA-N -1 3 357.364 3.131 20 0 FGADHM CN(C(=O)CCCc1cc(F)ccc1F)c1ccccc1-c1nn[n-]n1 ZINC000825817164 608071592 /nfs/dbraw/zinc/07/15/92/608071592.db2.gz DHPIBFWDVCTXCV-UHFFFAOYSA-N -1 3 357.364 3.131 20 0 FGADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=S)Nc1ccccc1 ZINC000825797157 608110242 /nfs/dbraw/zinc/11/02/42/608110242.db2.gz WIOQVUOTCCYJHC-UHFFFAOYSA-N -1 3 364.438 3.045 20 0 FGADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=S)Nc1ccccc1 ZINC000825797157 608110243 /nfs/dbraw/zinc/11/02/43/608110243.db2.gz WIOQVUOTCCYJHC-UHFFFAOYSA-N -1 3 364.438 3.045 20 0 FGADHM CCSc1cccc(C(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000825674346 608113795 /nfs/dbraw/zinc/11/37/95/608113795.db2.gz JUXYEINIRMZAIJ-GFCCVEGCSA-N -1 3 353.451 3.470 20 0 FGADHM CCSc1cccc(C(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000825674346 608113796 /nfs/dbraw/zinc/11/37/96/608113796.db2.gz JUXYEINIRMZAIJ-GFCCVEGCSA-N -1 3 353.451 3.470 20 0 FGADHM C[C@H](NC(=O)c1cc(F)c(Cl)cc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000824514977 608115155 /nfs/dbraw/zinc/11/51/55/608115155.db2.gz QTUWGIIGYKEMGQ-QMMMGPOBSA-N -1 3 363.755 3.289 20 0 FGADHM C[C@H](NC(=O)c1cc(F)c(Cl)cc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000824514977 608115156 /nfs/dbraw/zinc/11/51/56/608115156.db2.gz QTUWGIIGYKEMGQ-QMMMGPOBSA-N -1 3 363.755 3.289 20 0 FGADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cc(F)c(Cl)cc1F ZINC000825971706 608115643 /nfs/dbraw/zinc/11/56/43/608115643.db2.gz MOUGFJSKSFSVBJ-UHFFFAOYSA-N -1 3 363.755 3.071 20 0 FGADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cc(F)c(Cl)cc1F ZINC000825971706 608115644 /nfs/dbraw/zinc/11/56/44/608115644.db2.gz MOUGFJSKSFSVBJ-UHFFFAOYSA-N -1 3 363.755 3.071 20 0 FGADHM c1ccc2nc(N3CCCC3)c(NCc3ccc(-c4nnn[n-]4)cc3)nc2c1 ZINC000826524191 608123172 /nfs/dbraw/zinc/12/31/72/608123172.db2.gz LWHRYTKZGHABGM-UHFFFAOYSA-N -1 3 372.436 3.022 20 0 FGADHM c1ccc2nc(N3CCCC3)c(NCc3ccc(-c4nn[n-]n4)cc3)nc2c1 ZINC000826524191 608123173 /nfs/dbraw/zinc/12/31/73/608123173.db2.gz LWHRYTKZGHABGM-UHFFFAOYSA-N -1 3 372.436 3.022 20 0 FGADHM C[C@H](C[C@@H](O)c1ccco1)Nc1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000824393846 608123308 /nfs/dbraw/zinc/12/33/08/608123308.db2.gz URCSFWYGQRUKJX-NOZJJQNGSA-N -1 3 367.331 3.403 20 0 FGADHM C[C@H](C[C@@H](O)c1ccco1)Nc1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000824393846 608123309 /nfs/dbraw/zinc/12/33/09/608123309.db2.gz URCSFWYGQRUKJX-NOZJJQNGSA-N -1 3 367.331 3.403 20 0 FGADHM CSc1c(F)cc(NCc2cnc3ccc(-c4nnn[n-]4)cn23)cc1F ZINC000826229615 608135098 /nfs/dbraw/zinc/13/50/98/608135098.db2.gz KUIUGJVBVZESMO-UHFFFAOYSA-N -1 3 373.392 3.127 20 0 FGADHM CSc1c(F)cc(NCc2cnc3ccc(-c4nn[n-]n4)cn23)cc1F ZINC000826229615 608135099 /nfs/dbraw/zinc/13/50/99/608135099.db2.gz KUIUGJVBVZESMO-UHFFFAOYSA-N -1 3 373.392 3.127 20 0 FGADHM COCCOc1ccc(-c2nnn[n-]2)cc1NCc1cnc(C(C)C)s1 ZINC000826162712 608136623 /nfs/dbraw/zinc/13/66/23/608136623.db2.gz OYADSFYQVGHNGM-UHFFFAOYSA-N -1 3 374.470 3.084 20 0 FGADHM COCCOc1ccc(-c2nn[n-]n2)cc1NCc1cnc(C(C)C)s1 ZINC000826162712 608136624 /nfs/dbraw/zinc/13/66/24/608136624.db2.gz OYADSFYQVGHNGM-UHFFFAOYSA-N -1 3 374.470 3.084 20 0 FGADHM Cc1nn(C(C)(C)C)cc1C(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826333082 608141922 /nfs/dbraw/zinc/14/19/22/608141922.db2.gz SPESSABRXNJLGC-LBPRGKRZSA-N -1 3 354.414 3.045 20 0 FGADHM Cc1nn(C(C)(C)C)cc1C(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826333082 608141923 /nfs/dbraw/zinc/14/19/23/608141923.db2.gz SPESSABRXNJLGC-LBPRGKRZSA-N -1 3 354.414 3.045 20 0 FGADHM CC1(C)CC(=O)c2ccc(OCc3cccc(-c4nnn[n-]4)c3)cc2O1 ZINC000824789603 608151901 /nfs/dbraw/zinc/15/19/01/608151901.db2.gz HUSLVEDIVLMMRN-UHFFFAOYSA-N -1 3 350.378 3.190 20 0 FGADHM CC1(C)CC(=O)c2ccc(OCc3cccc(-c4nn[n-]n4)c3)cc2O1 ZINC000824789603 608151903 /nfs/dbraw/zinc/15/19/03/608151903.db2.gz HUSLVEDIVLMMRN-UHFFFAOYSA-N -1 3 350.378 3.190 20 0 FGADHM FC(F)Oc1ccc2ncc(-c3nnn[n-]3)c(N3CC[C@@H](C4CC4)C3)c2c1 ZINC000826369725 608151981 /nfs/dbraw/zinc/15/19/81/608151981.db2.gz OJNKRIYICLWDKG-LLVKDONJSA-N -1 3 372.379 3.253 20 0 FGADHM FC(F)Oc1ccc2ncc(-c3nn[n-]n3)c(N3CC[C@@H](C4CC4)C3)c2c1 ZINC000826369725 608151982 /nfs/dbraw/zinc/15/19/82/608151982.db2.gz OJNKRIYICLWDKG-LLVKDONJSA-N -1 3 372.379 3.253 20 0 FGADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)C(CC)(CC)CC ZINC000825787358 608176836 /nfs/dbraw/zinc/17/68/36/608176836.db2.gz DMZVNHYUAABYPZ-UHFFFAOYSA-N -1 3 355.446 3.391 20 0 FGADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)C(CC)(CC)CC ZINC000825787358 608176837 /nfs/dbraw/zinc/17/68/37/608176837.db2.gz DMZVNHYUAABYPZ-UHFFFAOYSA-N -1 3 355.446 3.391 20 0 FGADHM O=C(OCC1(Cc2ccc(Cl)cc2)CC1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826463009 608200519 /nfs/dbraw/zinc/20/05/19/608200519.db2.gz PNNUSOGBBMMTBL-UHFFFAOYSA-N -1 3 357.801 3.028 20 0 FGADHM Cc1ccncc1[C@@H](C)NC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826314567 608204441 /nfs/dbraw/zinc/20/44/41/608204441.db2.gz CBWJDMWMUUOFFD-SNVBAGLBSA-N -1 3 357.805 3.106 20 0 FGADHM Cc1ccncc1[C@@H](C)NC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826314567 608204443 /nfs/dbraw/zinc/20/44/43/608204443.db2.gz CBWJDMWMUUOFFD-SNVBAGLBSA-N -1 3 357.805 3.106 20 0 FGADHM C[C@H](Sc1cccc(Cl)c1-c1nnn[n-]1)C(=O)NC1CCCCC1 ZINC000824753080 608205769 /nfs/dbraw/zinc/20/57/69/608205769.db2.gz BUEXAFCRLIBBHG-JTQLQIEISA-N -1 3 365.890 3.450 20 0 FGADHM C[C@H](Sc1cccc(Cl)c1-c1nn[n-]n1)C(=O)NC1CCCCC1 ZINC000824753080 608205771 /nfs/dbraw/zinc/20/57/71/608205771.db2.gz BUEXAFCRLIBBHG-JTQLQIEISA-N -1 3 365.890 3.450 20 0 FGADHM COc1ccc([C@@H]2CCN(c3ccc4cc(-c5nnn[n-]5)ccc4n3)C2)cc1 ZINC000826191047 608225537 /nfs/dbraw/zinc/22/55/37/608225537.db2.gz VNHVGVOMUCVWSL-QGZVFWFLSA-N -1 3 372.432 3.417 20 0 FGADHM COc1ccc([C@@H]2CCN(c3ccc4cc(-c5nn[n-]n5)ccc4n3)C2)cc1 ZINC000826191047 608225539 /nfs/dbraw/zinc/22/55/39/608225539.db2.gz VNHVGVOMUCVWSL-QGZVFWFLSA-N -1 3 372.432 3.417 20 0 FGADHM O[C@@H](c1ccccc1)C1(CNc2ccc3cc(-c4nnn[n-]4)ccc3n2)CC1 ZINC000826505142 608234810 /nfs/dbraw/zinc/23/48/10/608234810.db2.gz NRPBNQLMJFPWKT-IBGZPJMESA-N -1 3 372.432 3.341 20 0 FGADHM O[C@@H](c1ccccc1)C1(CNc2ccc3cc(-c4nn[n-]n4)ccc3n2)CC1 ZINC000826505142 608234811 /nfs/dbraw/zinc/23/48/11/608234811.db2.gz NRPBNQLMJFPWKT-IBGZPJMESA-N -1 3 372.432 3.341 20 0 FGADHM COc1ccc(COC(=O)[C@@H](c2ccccc2)C2CC2)cc1-c1nnn[n-]1 ZINC000826204700 608253593 /nfs/dbraw/zinc/25/35/93/608253593.db2.gz WHXFWSWGVCXROK-SFHVURJKSA-N -1 3 364.405 3.112 20 0 FGADHM COc1ccc(COC(=O)[C@@H](c2ccccc2)C2CC2)cc1-c1nn[n-]n1 ZINC000826204700 608253595 /nfs/dbraw/zinc/25/35/95/608253595.db2.gz WHXFWSWGVCXROK-SFHVURJKSA-N -1 3 364.405 3.112 20 0 FGADHM CCN(C(=O)C=C1CCSCC1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367565 608258106 /nfs/dbraw/zinc/25/81/06/608258106.db2.gz SPUTVYFYPZZLDQ-ZDUSSCGKSA-N -1 3 357.483 3.230 20 0 FGADHM CCN(C(=O)C=C1CCSCC1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367565 608258107 /nfs/dbraw/zinc/25/81/07/608258107.db2.gz SPUTVYFYPZZLDQ-ZDUSSCGKSA-N -1 3 357.483 3.230 20 0 FGADHM CC[C@@H]1CC[C@H](C)N1C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000825191620 608261590 /nfs/dbraw/zinc/26/15/90/608261590.db2.gz DJQGWFIWOIADRH-GXSJLCMTSA-N -1 3 366.372 3.263 20 0 FGADHM CC[C@@H]1CC[C@H](C)N1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000825191620 608261591 /nfs/dbraw/zinc/26/15/91/608261591.db2.gz DJQGWFIWOIADRH-GXSJLCMTSA-N -1 3 366.372 3.263 20 0 FGADHM C[C@H]1CSC(SCc2ccc(-c3nnn[n-]3)cc2OC(F)F)=N1 ZINC000825012208 608265532 /nfs/dbraw/zinc/26/55/32/608265532.db2.gz FDPSCWCZZBEFSX-ZETCQYMHSA-N -1 3 357.411 3.193 20 0 FGADHM C[C@H]1CSC(SCc2ccc(-c3nn[n-]n3)cc2OC(F)F)=N1 ZINC000825012208 608265534 /nfs/dbraw/zinc/26/55/34/608265534.db2.gz FDPSCWCZZBEFSX-ZETCQYMHSA-N -1 3 357.411 3.193 20 0 FGADHM CC(C)c1nc(CCNc2nc3c(cc2-c2nn[n-]n2)CCCC3)cs1 ZINC000824358296 608281420 /nfs/dbraw/zinc/28/14/20/608281420.db2.gz GGSLPIJNIROEPG-UHFFFAOYSA-N -1 3 369.498 3.375 20 0 FGADHM CC(C)c1nc(CCNc2nc3c(cc2-c2nnn[n-]2)CCCC3)cs1 ZINC000824358296 608281418 /nfs/dbraw/zinc/28/14/18/608281418.db2.gz GGSLPIJNIROEPG-UHFFFAOYSA-N -1 3 369.498 3.375 20 0 FGADHM c1c2c(nc(N3CCOC4(C3)CCCCCC4)c1-c1nnn[n-]1)CCCC2 ZINC000826512338 608297558 /nfs/dbraw/zinc/29/75/58/608297558.db2.gz XMEKBTWEHLWVNT-UHFFFAOYSA-N -1 3 368.485 3.070 20 0 FGADHM c1c2c(nc(N3CCOC4(C3)CCCCCC4)c1-c1nn[n-]n1)CCCC2 ZINC000826512338 608297559 /nfs/dbraw/zinc/29/75/59/608297559.db2.gz XMEKBTWEHLWVNT-UHFFFAOYSA-N -1 3 368.485 3.070 20 0 FGADHM C[C@H]1CCN(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C[C@H]1C ZINC000824949086 608302274 /nfs/dbraw/zinc/30/22/74/608302274.db2.gz WKVFHYPGJPVCLM-VHSXEESVSA-N -1 3 368.363 3.395 20 0 FGADHM C[C@H]1CCN(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C[C@H]1C ZINC000824949086 608302276 /nfs/dbraw/zinc/30/22/76/608302276.db2.gz WKVFHYPGJPVCLM-VHSXEESVSA-N -1 3 368.363 3.395 20 0 FGADHM CN(C(=O)c1cccc([C@@H]2CCCOC2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825830567 608308283 /nfs/dbraw/zinc/30/82/83/608308283.db2.gz WIZQGEKFAOFQEH-QGZVFWFLSA-N -1 3 363.421 3.037 20 0 FGADHM CN(C(=O)c1cccc([C@@H]2CCCOC2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825830567 608308285 /nfs/dbraw/zinc/30/82/85/608308285.db2.gz WIZQGEKFAOFQEH-QGZVFWFLSA-N -1 3 363.421 3.037 20 0 FGADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)c1csc(C)c1C ZINC000825796768 608321834 /nfs/dbraw/zinc/32/18/34/608321834.db2.gz NACKNHASOVKJLW-UHFFFAOYSA-N -1 3 367.438 3.167 20 0 FGADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)c1csc(C)c1C ZINC000825796768 608321836 /nfs/dbraw/zinc/32/18/36/608321836.db2.gz NACKNHASOVKJLW-UHFFFAOYSA-N -1 3 367.438 3.167 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1CSCc1nc(C2CCCC2)no1 ZINC000826173536 608322393 /nfs/dbraw/zinc/32/23/93/608322393.db2.gz IMTYVWHDQCHQSF-UHFFFAOYSA-N -1 3 372.454 3.349 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1CSCc1nc(C2CCCC2)no1 ZINC000826173536 608322394 /nfs/dbraw/zinc/32/23/94/608322394.db2.gz IMTYVWHDQCHQSF-UHFFFAOYSA-N -1 3 372.454 3.349 20 0 FGADHM CC[C@H](CSC)N(C)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000825122390 608338531 /nfs/dbraw/zinc/33/85/31/608338531.db2.gz YLZJJFUZCIZBGV-SNVBAGLBSA-N -1 3 354.867 3.125 20 0 FGADHM CC[C@H](CSC)N(C)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000825122390 608338532 /nfs/dbraw/zinc/33/85/32/608338532.db2.gz YLZJJFUZCIZBGV-SNVBAGLBSA-N -1 3 354.867 3.125 20 0 FGADHM CCN(C(=O)c1noc2c1CCCC2)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825391067 608344047 /nfs/dbraw/zinc/34/40/47/608344047.db2.gz UENNERSLXCCGLK-UHFFFAOYSA-N -1 3 372.816 3.054 20 0 FGADHM CCN(C(=O)c1noc2c1CCCC2)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825391067 608344049 /nfs/dbraw/zinc/34/40/49/608344049.db2.gz UENNERSLXCCGLK-UHFFFAOYSA-N -1 3 372.816 3.054 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000826171295 608344946 /nfs/dbraw/zinc/34/49/46/608344946.db2.gz IXCMBOPAHFPPHU-UHFFFAOYSA-N -1 3 368.437 3.135 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000826171295 608344947 /nfs/dbraw/zinc/34/49/47/608344947.db2.gz IXCMBOPAHFPPHU-UHFFFAOYSA-N -1 3 368.437 3.135 20 0 FGADHM CCCCCCOCC(=O)N(CC)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825270732 608346498 /nfs/dbraw/zinc/34/64/98/608346498.db2.gz CKHNCHASLFSAOM-UHFFFAOYSA-N -1 3 365.865 3.470 20 0 FGADHM CCCCCCOCC(=O)N(CC)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825270732 608346500 /nfs/dbraw/zinc/34/65/00/608346500.db2.gz CKHNCHASLFSAOM-UHFFFAOYSA-N -1 3 365.865 3.470 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)C(C)(C)c1ccccc1C ZINC000826170992 608349470 /nfs/dbraw/zinc/34/94/70/608349470.db2.gz XVMGPSNUVOPTDK-UHFFFAOYSA-N -1 3 366.421 3.205 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)C(C)(C)c1ccccc1C ZINC000826170992 608349471 /nfs/dbraw/zinc/34/94/71/608349471.db2.gz XVMGPSNUVOPTDK-UHFFFAOYSA-N -1 3 366.421 3.205 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1CN(Cc1cccc(F)c1)C1CC1 ZINC000826168824 608354931 /nfs/dbraw/zinc/35/49/31/608354931.db2.gz ZLLMUGVTTIZFNP-UHFFFAOYSA-N -1 3 353.401 3.179 20 0 FGADHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(N3CCC[C@@H](c4cc[nH]n4)C3)c2c1 ZINC000826263839 608371399 /nfs/dbraw/zinc/37/13/99/608371399.db2.gz SHBPGHXBGOCOER-CQSZACIVSA-N -1 3 374.452 3.139 20 0 FGADHM C[C@H]1CCCC[C@@H]1NC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824938162 608389585 /nfs/dbraw/zinc/38/95/85/608389585.db2.gz UCQSQUOZOQHFHZ-KSSFIOAISA-N -1 3 366.469 3.244 20 0 FGADHM C[C@H]1CCCC[C@@H]1NC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824938162 608389586 /nfs/dbraw/zinc/38/95/86/608389586.db2.gz UCQSQUOZOQHFHZ-KSSFIOAISA-N -1 3 366.469 3.244 20 0 FGADHM CC(C)C1(CNC(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)CC1 ZINC000824217071 608417647 /nfs/dbraw/zinc/41/76/47/608417647.db2.gz XVJMJDDMJQRXLZ-UHFFFAOYSA-N -1 3 366.469 3.102 20 0 FGADHM CC(C)C1(CNC(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)CC1 ZINC000824217071 608417649 /nfs/dbraw/zinc/41/76/49/608417649.db2.gz XVJMJDDMJQRXLZ-UHFFFAOYSA-N -1 3 366.469 3.102 20 0 FGADHM c1cc2nccc(N3CC=C(c4ccc(-c5nnn[n-]5)cc4)CC3)c2cn1 ZINC000823868006 608441185 /nfs/dbraw/zinc/44/11/85/608441185.db2.gz MOVSUPBIWBATNL-UHFFFAOYSA-N -1 3 355.405 3.104 20 0 FGADHM c1cc2nccc(N3CC=C(c4ccc(-c5nn[n-]n5)cc4)CC3)c2cn1 ZINC000823868006 608441187 /nfs/dbraw/zinc/44/11/87/608441187.db2.gz MOVSUPBIWBATNL-UHFFFAOYSA-N -1 3 355.405 3.104 20 0 FGADHM CCCCCn1cc(CNc2nc3c(cc2-c2nnn[n-]2)CCC3)c(C)n1 ZINC000825282729 608443454 /nfs/dbraw/zinc/44/34/54/608443454.db2.gz YCNDWOGCLFYMFT-UHFFFAOYSA-N -1 3 366.473 3.058 20 0 FGADHM CCCCCn1cc(CNc2nc3c(cc2-c2nn[n-]n2)CCC3)c(C)n1 ZINC000825282729 608443455 /nfs/dbraw/zinc/44/34/55/608443455.db2.gz YCNDWOGCLFYMFT-UHFFFAOYSA-N -1 3 366.473 3.058 20 0 FGADHM Clc1cc2c(cc1NCc1ccc(-c3nnn[n-]3)s1)OCCCO2 ZINC000826351220 608449875 /nfs/dbraw/zinc/44/98/75/608449875.db2.gz CZWKFQAHRNBOBM-UHFFFAOYSA-N -1 3 363.830 3.355 20 0 FGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)c1coc(-c2ccccc2)n1 ZINC000826466902 608450611 /nfs/dbraw/zinc/45/06/11/608450611.db2.gz YEECPWYTEDOENL-UHFFFAOYSA-N -1 3 365.324 3.018 20 0 FGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)c1coc(-c2ccccc2)n1 ZINC000826466902 608450613 /nfs/dbraw/zinc/45/06/13/608450613.db2.gz YEECPWYTEDOENL-UHFFFAOYSA-N -1 3 365.324 3.018 20 0 FGADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1OC(F)(F)F ZINC000826465033 608458782 /nfs/dbraw/zinc/45/87/82/608458782.db2.gz WASOEOIOOGGMHD-UHFFFAOYSA-N -1 3 364.283 3.122 20 0 FGADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1OC(F)(F)F ZINC000826465033 608458783 /nfs/dbraw/zinc/45/87/83/608458783.db2.gz WASOEOIOOGGMHD-UHFFFAOYSA-N -1 3 364.283 3.122 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N1CCc2cccc(F)c2C1 ZINC000826452845 608473470 /nfs/dbraw/zinc/47/34/70/608473470.db2.gz LKZVTYLCVKGYDF-UHFFFAOYSA-N -1 3 372.791 3.249 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N1CCc2cccc(F)c2C1 ZINC000826452845 608473472 /nfs/dbraw/zinc/47/34/72/608473472.db2.gz LKZVTYLCVKGYDF-UHFFFAOYSA-N -1 3 372.791 3.249 20 0 FGADHM Cc1ccc([C@H](C)C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)o1 ZINC000826283203 608481791 /nfs/dbraw/zinc/48/17/91/608481791.db2.gz MTNJZIGUSVDFPJ-AWEZNQCLSA-N -1 3 363.421 3.188 20 0 FGADHM Cc1ccc([C@H](C)C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)o1 ZINC000826283203 608481793 /nfs/dbraw/zinc/48/17/93/608481793.db2.gz MTNJZIGUSVDFPJ-AWEZNQCLSA-N -1 3 363.421 3.188 20 0 FGADHM CC(C)CCSCC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824249958 608487707 /nfs/dbraw/zinc/48/77/07/608487707.db2.gz ZQWFVVGYESUSQB-UHFFFAOYSA-N -1 3 371.510 3.262 20 0 FGADHM CC(C)CCSCC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824249958 608487708 /nfs/dbraw/zinc/48/77/08/608487708.db2.gz ZQWFVVGYESUSQB-UHFFFAOYSA-N -1 3 371.510 3.262 20 0 FGADHM c1cn(-c2ccccc2)nc1CN[C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000826519893 608506614 /nfs/dbraw/zinc/50/66/14/608506614.db2.gz SQACOUGTMDRMRR-FQEVSTJZSA-N -1 3 371.448 3.220 20 0 FGADHM Brc1cccc(CN(Cc2ccc(-c3nnn[n-]3)o2)C2CC2)c1 ZINC000823832826 608521087 /nfs/dbraw/zinc/52/10/87/608521087.db2.gz VYJPVBDWSOXFKH-UHFFFAOYSA-N -1 3 374.242 3.387 20 0 FGADHM CCCOc1ccc(NC(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000825339232 608561945 /nfs/dbraw/zinc/56/19/45/608561945.db2.gz SLCPBVITCOQWNI-CYBMUJFWSA-N -1 3 367.409 3.062 20 0 FGADHM CCCOc1ccc(NC(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000825339232 608561946 /nfs/dbraw/zinc/56/19/46/608561946.db2.gz SLCPBVITCOQWNI-CYBMUJFWSA-N -1 3 367.409 3.062 20 0 FGADHM O=C(OCc1nc2ccccc2s1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826467654 608574790 /nfs/dbraw/zinc/57/47/90/608574790.db2.gz HIZIBSVIGVPDRL-UHFFFAOYSA-N -1 3 371.809 3.487 20 0 FGADHM O=C(OCc1nc2ccccc2s1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826467654 608574792 /nfs/dbraw/zinc/57/47/92/608574792.db2.gz HIZIBSVIGVPDRL-UHFFFAOYSA-N -1 3 371.809 3.487 20 0 FGADHM O=C(c1ccc(Cl)c(-c2nnn[n-]2)c1)N(CC(F)(F)F)C1CCC1 ZINC000826472565 608577141 /nfs/dbraw/zinc/57/71/41/608577141.db2.gz OOFJKEWAPGJJQJ-UHFFFAOYSA-N -1 3 359.739 3.077 20 0 FGADHM O=C(c1ccc(Cl)c(-c2nn[n-]n2)c1)N(CC(F)(F)F)C1CCC1 ZINC000826472565 608577143 /nfs/dbraw/zinc/57/71/43/608577143.db2.gz OOFJKEWAPGJJQJ-UHFFFAOYSA-N -1 3 359.739 3.077 20 0 FGADHM CCOc1cccc([C@@H]2C[C@@H]2Nc2nc3c(cc2-c2nnn[n-]2)CCC3)c1 ZINC000825649026 608588922 /nfs/dbraw/zinc/58/89/22/608588922.db2.gz JPPNMRSJJUBSBX-YJBOKZPZSA-N -1 3 362.437 3.117 20 0 FGADHM CCOc1cccc([C@@H]2C[C@@H]2Nc2nc3c(cc2-c2nn[n-]n2)CCC3)c1 ZINC000825649026 608588924 /nfs/dbraw/zinc/58/89/24/608588924.db2.gz JPPNMRSJJUBSBX-YJBOKZPZSA-N -1 3 362.437 3.117 20 0 FGADHM COc1ccc([C@H](C)COC(=O)CCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826187639 608593047 /nfs/dbraw/zinc/59/30/47/608593047.db2.gz AEQXMADDJDVRNQ-CQSZACIVSA-N -1 3 366.421 3.155 20 0 FGADHM COc1ccc([C@H](C)COC(=O)CCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826187639 608593051 /nfs/dbraw/zinc/59/30/51/608593051.db2.gz AEQXMADDJDVRNQ-CQSZACIVSA-N -1 3 366.421 3.155 20 0 FGADHM CC(C)Oc1ccc(NC(=O)N2C[C@H](C)CC[C@@H]2C)cc1-c1nnn[n-]1 ZINC000824907557 608608216 /nfs/dbraw/zinc/60/82/16/608608216.db2.gz IYCRUAOXTPTOSI-OLZOCXBDSA-N -1 3 358.446 3.306 20 0 FGADHM CC(C)Oc1ccc(NC(=O)N2C[C@H](C)CC[C@@H]2C)cc1-c1nn[n-]n1 ZINC000824907557 608608217 /nfs/dbraw/zinc/60/82/17/608608217.db2.gz IYCRUAOXTPTOSI-OLZOCXBDSA-N -1 3 358.446 3.306 20 0 FGADHM CN(Cc1csc(Br)c1)Cc1cc(-c2nnn[n-]2)cs1 ZINC000825992106 608614918 /nfs/dbraw/zinc/61/49/18/608614918.db2.gz PFLUABMELXQJPH-UHFFFAOYSA-N -1 3 370.301 3.384 20 0 FGADHM CN(Cc1csc(Br)c1)Cc1cc(-c2nn[n-]n2)cs1 ZINC000825992106 608614920 /nfs/dbraw/zinc/61/49/20/608614920.db2.gz PFLUABMELXQJPH-UHFFFAOYSA-N -1 3 370.301 3.384 20 0 FGADHM Fc1c(CN2CCSC[C@@H]2c2ccccc2)cccc1-c1nnn[n-]1 ZINC000826371170 608651561 /nfs/dbraw/zinc/65/15/61/608651561.db2.gz VRBZGOIMMORQSX-MRXNPFEDSA-N -1 3 355.442 3.296 20 0 FGADHM Fc1c(CN2CCSC[C@@H]2c2ccccc2)cccc1-c1nn[n-]n1 ZINC000826371170 608651564 /nfs/dbraw/zinc/65/15/64/608651564.db2.gz VRBZGOIMMORQSX-MRXNPFEDSA-N -1 3 355.442 3.296 20 0 FGADHM Fc1c(CSc2nccc(C(F)(F)F)n2)cccc1-c1nnn[n-]1 ZINC000826371465 608670221 /nfs/dbraw/zinc/67/02/21/608670221.db2.gz HHXRTEKGCRQGNJ-UHFFFAOYSA-N -1 3 356.308 3.107 20 0 FGADHM Fc1c(CSc2nccc(C(F)(F)F)n2)cccc1-c1nn[n-]n1 ZINC000826371465 608670222 /nfs/dbraw/zinc/67/02/22/608670222.db2.gz HHXRTEKGCRQGNJ-UHFFFAOYSA-N -1 3 356.308 3.107 20 0 FGADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Oc1c(F)cccc1Cl ZINC000824738496 608670951 /nfs/dbraw/zinc/67/09/51/608670951.db2.gz PIBQWKDVYWQDFS-VIFPVBQESA-N -1 3 362.748 3.032 20 0 FGADHM O=C(c1ccc(Cl)cc1)C1CCN(c2cnccc2-c2nnn[n-]2)CC1 ZINC000826473364 608778784 /nfs/dbraw/zinc/77/87/84/608778784.db2.gz VBBGHYONJROZHB-UHFFFAOYSA-N -1 3 368.828 3.014 20 0 FGADHM O=C(c1ccc(Cl)cc1)C1CCN(c2cnccc2-c2nn[n-]n2)CC1 ZINC000826473364 608778786 /nfs/dbraw/zinc/77/87/86/608778786.db2.gz VBBGHYONJROZHB-UHFFFAOYSA-N -1 3 368.828 3.014 20 0 FGADHM Cc1cc(C)n(-c2ccc([C@H](C)Nc3cnccc3-c3nnn[n-]3)cc2)n1 ZINC000826265235 608792133 /nfs/dbraw/zinc/79/21/33/608792133.db2.gz QSNNBAAPYSSOEL-AWEZNQCLSA-N -1 3 360.425 3.237 20 0 FGADHM Cc1cc(C)n(-c2ccc([C@H](C)Nc3cnccc3-c3nn[n-]n3)cc2)n1 ZINC000826265235 608792137 /nfs/dbraw/zinc/79/21/37/608792137.db2.gz QSNNBAAPYSSOEL-AWEZNQCLSA-N -1 3 360.425 3.237 20 0 FGADHM COc1cc(F)cc(CNc2cc(-c3nnn[n-]3)c3ccccc3n2)c1 ZINC000826180309 608798070 /nfs/dbraw/zinc/79/80/70/608798070.db2.gz BESWNNIKQUDVRX-UHFFFAOYSA-N -1 3 350.357 3.175 20 0 FGADHM COc1cc(F)cc(CNc2cc(-c3nn[n-]n3)c3ccccc3n2)c1 ZINC000826180309 608798073 /nfs/dbraw/zinc/79/80/73/608798073.db2.gz BESWNNIKQUDVRX-UHFFFAOYSA-N -1 3 350.357 3.175 20 0 FGADHM COc1ccc([C@H](NCc2cccc(-c3nnn[n-]3)c2)C(F)(F)F)cc1 ZINC000826188747 609149916 /nfs/dbraw/zinc/14/99/16/609149916.db2.gz FLXOBANCSDRPJH-HNNXBMFYSA-N -1 3 363.343 3.269 20 0 FGADHM COc1ccc([C@H](NCc2cccc(-c3nn[n-]n3)c2)C(F)(F)F)cc1 ZINC000826188747 609149918 /nfs/dbraw/zinc/14/99/18/609149918.db2.gz FLXOBANCSDRPJH-HNNXBMFYSA-N -1 3 363.343 3.269 20 0 FGADHM c1c2c(nn1C1CCCC1)[C@@H](Nc1ccc(-c3nnn[n-]3)cn1)CCC2 ZINC000826517110 609150561 /nfs/dbraw/zinc/15/05/61/609150561.db2.gz QQNCTJFDMGKKQD-HNNXBMFYSA-N -1 3 350.430 3.063 20 0 FGADHM c1c2c(nn1C1CCCC1)[C@@H](Nc1ccc(-c3nn[n-]n3)cn1)CCC2 ZINC000826517110 609150562 /nfs/dbraw/zinc/15/05/62/609150562.db2.gz QQNCTJFDMGKKQD-HNNXBMFYSA-N -1 3 350.430 3.063 20 0 FGADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)C2CC(F)(F)C2)c1-c1nnn[n-]1 ZINC000826233281 609165881 /nfs/dbraw/zinc/16/58/81/609165881.db2.gz AZZCXQYOVYVCKV-UHFFFAOYSA-N -1 3 372.379 3.258 20 0 FGADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)C2CC(F)(F)C2)c1-c1nn[n-]n1 ZINC000826233281 609165883 /nfs/dbraw/zinc/16/58/83/609165883.db2.gz AZZCXQYOVYVCKV-UHFFFAOYSA-N -1 3 372.379 3.258 20 0 FGADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)[C@@H](C)C2CC2)c1-c1nnn[n-]1 ZINC000826233327 609166019 /nfs/dbraw/zinc/16/60/19/609166019.db2.gz CLIMHXQHGACUDW-LBPRGKRZSA-N -1 3 350.426 3.259 20 0 FGADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)[C@@H](C)C2CC2)c1-c1nn[n-]n1 ZINC000826233327 609166021 /nfs/dbraw/zinc/16/60/21/609166021.db2.gz CLIMHXQHGACUDW-LBPRGKRZSA-N -1 3 350.426 3.259 20 0 FGADHM Fc1ccc2c(c1)OCCC[C@@H]2Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC000826375826 609169665 /nfs/dbraw/zinc/16/96/65/609169665.db2.gz CXSPTOHQANUVOL-ZDUSSCGKSA-N -1 3 360.780 3.380 20 0 FGADHM Fc1ccc2c(c1)OCCC[C@@H]2Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC000826375826 609169667 /nfs/dbraw/zinc/16/96/67/609169667.db2.gz CXSPTOHQANUVOL-ZDUSSCGKSA-N -1 3 360.780 3.380 20 0 FGADHM CC(C)C[C@@H]1C[C@@H](Nc2nc3ccccc3cc2-c2nnn[n-]2)CCO1 ZINC000824244442 609170795 /nfs/dbraw/zinc/17/07/95/609170795.db2.gz RIEFCPFHVONHHJ-LSDHHAIUSA-N -1 3 352.442 3.421 20 0 FGADHM CC(C)C[C@@H]1C[C@@H](Nc2nc3ccccc3cc2-c2nn[n-]n2)CCO1 ZINC000824244442 609170797 /nfs/dbraw/zinc/17/07/97/609170797.db2.gz RIEFCPFHVONHHJ-LSDHHAIUSA-N -1 3 352.442 3.421 20 0 FGADHM CC(C)c1ccc([C@@H]2CCCN2C(=O)c2c[nH]c(-c3nnn[n-]3)c2)cc1 ZINC000824348034 609229536 /nfs/dbraw/zinc/22/95/36/609229536.db2.gz XJGWUCOVKWBBRL-KRWDZBQOSA-N -1 3 350.426 3.296 20 0 FGADHM CC(C)c1ccc([C@@H]2CCCN2C(=O)c2c[nH]c(-c3nn[n-]n3)c2)cc1 ZINC000824348034 609229537 /nfs/dbraw/zinc/22/95/37/609229537.db2.gz XJGWUCOVKWBBRL-KRWDZBQOSA-N -1 3 350.426 3.296 20 0 FGADHM CSc1ccccc1CC(=O)OCc1cc(-c2nnn[n-]2)ccc1F ZINC000826230806 609234367 /nfs/dbraw/zinc/23/43/67/609234367.db2.gz KLOCWRYSLDZEOA-UHFFFAOYSA-N -1 3 358.398 3.014 20 0 FGADHM CSc1ccccc1CC(=O)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000826230806 609234369 /nfs/dbraw/zinc/23/43/69/609234369.db2.gz KLOCWRYSLDZEOA-UHFFFAOYSA-N -1 3 358.398 3.014 20 0 FGADHM CSc1ccccc1CC(=O)OCc1ccc(-c2nnn[n-]2)cc1C ZINC000826230643 609237630 /nfs/dbraw/zinc/23/76/30/609237630.db2.gz CPIBABNVGGCQLR-UHFFFAOYSA-N -1 3 354.435 3.183 20 0 FGADHM CSc1ccccc1CC(=O)OCc1ccc(-c2nn[n-]n2)cc1C ZINC000826230643 609237631 /nfs/dbraw/zinc/23/76/31/609237631.db2.gz CPIBABNVGGCQLR-UHFFFAOYSA-N -1 3 354.435 3.183 20 0 FGADHM Cc1cc(C(=O)OCc2cccc(-c3nnn[n-]3)c2)nn1-c1ccc(C)cc1 ZINC000826281204 609245017 /nfs/dbraw/zinc/24/50/17/609245017.db2.gz IPZFHTABRZXCEL-UHFFFAOYSA-N -1 3 374.404 3.026 20 0 FGADHM Cc1cc(C(=O)OCc2cccc(-c3nn[n-]n3)c2)nn1-c1ccc(C)cc1 ZINC000826281204 609245019 /nfs/dbraw/zinc/24/50/19/609245019.db2.gz IPZFHTABRZXCEL-UHFFFAOYSA-N -1 3 374.404 3.026 20 0 FGADHM C[C@H](Nc1cc2c(cc1Cl)OCCO2)c1ccc(-c2nnn[n-]2)cc1 ZINC000824648370 609254436 /nfs/dbraw/zinc/25/44/36/609254436.db2.gz FAFAICFRZNZPAN-JTQLQIEISA-N -1 3 357.801 3.464 20 0 FGADHM C[C@H](Nc1cc2c(cc1Cl)OCCO2)c1ccc(-c2nn[n-]n2)cc1 ZINC000824648370 609254438 /nfs/dbraw/zinc/25/44/38/609254438.db2.gz FAFAICFRZNZPAN-JTQLQIEISA-N -1 3 357.801 3.464 20 0 FGADHM COCCOc1ccc(F)cc1N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826162563 609276969 /nfs/dbraw/zinc/27/69/69/609276969.db2.gz ILDNDTJVBHPRIG-GFCCVEGCSA-N -1 3 357.389 3.204 20 0 FGADHM COCCOc1ccc(F)cc1N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826162563 609276971 /nfs/dbraw/zinc/27/69/71/609276971.db2.gz ILDNDTJVBHPRIG-GFCCVEGCSA-N -1 3 357.389 3.204 20 0 FGADHM Cc1ccc(C)c(CNc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)c1 ZINC000826285442 609278601 /nfs/dbraw/zinc/27/86/01/609278601.db2.gz ZZZVNSZNKTVDFO-UHFFFAOYSA-N -1 3 363.400 3.420 20 0 FGADHM C[C@@H](Nc1ccc(N2CCCC2=O)c(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824655291 609279045 /nfs/dbraw/zinc/27/90/45/609279045.db2.gz BYSPGBQSPGBLQD-GFCCVEGCSA-N -1 3 366.400 3.306 20 0 FGADHM C[C@@H](Nc1ccc(N2CCCC2=O)c(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824655291 609279047 /nfs/dbraw/zinc/27/90/47/609279047.db2.gz BYSPGBQSPGBLQD-GFCCVEGCSA-N -1 3 366.400 3.306 20 0 FGADHM Cc1ccc(N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1C(=O)NC(C)C ZINC000826291834 609280349 /nfs/dbraw/zinc/28/03/49/609280349.db2.gz YBDKRESLPPHZJZ-CQSZACIVSA-N -1 3 364.453 3.486 20 0 FGADHM Cc1ccc(N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1C(=O)NC(C)C ZINC000826291834 609280350 /nfs/dbraw/zinc/28/03/50/609280350.db2.gz YBDKRESLPPHZJZ-CQSZACIVSA-N -1 3 364.453 3.486 20 0 FGADHM Cc1nc2cc(NCCOc3ccc(-c4nn[n-]n4)cc3)ccc2s1 ZINC000826329195 609280878 /nfs/dbraw/zinc/28/08/78/609280878.db2.gz SXNKSLQNEJHGBO-UHFFFAOYSA-N -1 3 352.423 3.276 20 0 FGADHM CC(C)(C)c1ccc2c(c1)CN(C(=O)c1sccc1-c1nnn[n-]1)CC2 ZINC000824136225 609285272 /nfs/dbraw/zinc/28/52/72/609285272.db2.gz MWWGISFELRYZTI-UHFFFAOYSA-N -1 3 367.478 3.424 20 0 FGADHM CC(C)(C)c1ccc2c(c1)CN(C(=O)c1sccc1-c1nn[n-]n1)CC2 ZINC000824136225 609285274 /nfs/dbraw/zinc/28/52/74/609285274.db2.gz MWWGISFELRYZTI-UHFFFAOYSA-N -1 3 367.478 3.424 20 0 FGADHM C[C@H](NC(=O)c1cc(Cl)cc(Cl)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824515041 609287739 /nfs/dbraw/zinc/28/77/39/609287739.db2.gz RRKYJZMFDYRDEO-QMMMGPOBSA-N -1 3 363.208 3.060 20 0 FGADHM C[C@H](NC(=O)c1cc(Cl)cc(Cl)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824515041 609287741 /nfs/dbraw/zinc/28/77/41/609287741.db2.gz RRKYJZMFDYRDEO-QMMMGPOBSA-N -1 3 363.208 3.060 20 0 FGADHM CC[C@H](c1ccncc1)N(C)C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000825158883 609291805 /nfs/dbraw/zinc/29/18/05/609291805.db2.gz CZSJAENCQGBERN-OAHLLOKOSA-N -1 3 356.817 3.138 20 0 FGADHM CC[C@H](c1ccncc1)N(C)C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000825158883 609291807 /nfs/dbraw/zinc/29/18/07/609291807.db2.gz CZSJAENCQGBERN-OAHLLOKOSA-N -1 3 356.817 3.138 20 0 FGADHM CC[C@H](C)n1nc(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1C ZINC000825080580 609303889 /nfs/dbraw/zinc/30/38/89/609303889.db2.gz BBCJXPHEJIAJRK-VIFPVBQESA-N -1 3 359.821 3.248 20 0 FGADHM CC[C@H](C)n1nc(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1C ZINC000825080580 609303891 /nfs/dbraw/zinc/30/38/91/609303891.db2.gz BBCJXPHEJIAJRK-VIFPVBQESA-N -1 3 359.821 3.248 20 0 FGADHM CCc1cccc(OCCSc2nnc(C)c(C)c2-c2nnn[n-]2)c1 ZINC000825723272 609305469 /nfs/dbraw/zinc/30/54/69/609305469.db2.gz WEVGUFVXVJOHQC-UHFFFAOYSA-N -1 3 356.455 3.007 20 0 FGADHM CCc1cccc(OCCSc2nnc(C)c(C)c2-c2nn[n-]n2)c1 ZINC000825723272 609305471 /nfs/dbraw/zinc/30/54/71/609305471.db2.gz WEVGUFVXVJOHQC-UHFFFAOYSA-N -1 3 356.455 3.007 20 0 FGADHM COc1ccccc1OCc1ccc(-c2nnn[n-]2)cc1Br ZINC000826221040 609306107 /nfs/dbraw/zinc/30/61/07/609306107.db2.gz LWIPYCDGQQBDEA-UHFFFAOYSA-N -1 3 361.199 3.217 20 0 FGADHM COc1ccccc1OCc1ccc(-c2nn[n-]n2)cc1Br ZINC000826221040 609306108 /nfs/dbraw/zinc/30/61/08/609306108.db2.gz LWIPYCDGQQBDEA-UHFFFAOYSA-N -1 3 361.199 3.217 20 0 FGADHM O=Cc1ccc(OCc2ccc(-c3nnn[n-]3)cc2Br)cc1 ZINC000826484234 609306714 /nfs/dbraw/zinc/30/67/14/609306714.db2.gz TYMURUXEXUWYJN-UHFFFAOYSA-N -1 3 359.183 3.021 20 0 FGADHM O=Cc1ccc(OCc2ccc(-c3nn[n-]n3)cc2Br)cc1 ZINC000826484234 609306715 /nfs/dbraw/zinc/30/67/15/609306715.db2.gz TYMURUXEXUWYJN-UHFFFAOYSA-N -1 3 359.183 3.021 20 0 FGADHM CCc1cc(NCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)ccc1C ZINC000825700373 609312698 /nfs/dbraw/zinc/31/26/98/609312698.db2.gz CTZKPWQFBLZVKM-UHFFFAOYSA-N -1 3 361.409 3.400 20 0 FGADHM CCc1cc(NCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)ccc1C ZINC000825700373 609312701 /nfs/dbraw/zinc/31/27/01/609312701.db2.gz CTZKPWQFBLZVKM-UHFFFAOYSA-N -1 3 361.409 3.400 20 0 FGADHM CC1(C)C[C@@H](Nc2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)C(C)(C)O1 ZINC000824791295 609318622 /nfs/dbraw/zinc/31/86/22/609318622.db2.gz YJKNRZJXUKJCBO-CYBMUJFWSA-N -1 3 374.395 3.451 20 0 FGADHM CC1(C)C[C@@H](Nc2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)C(C)(C)O1 ZINC000824791295 609318624 /nfs/dbraw/zinc/31/86/24/609318624.db2.gz YJKNRZJXUKJCBO-CYBMUJFWSA-N -1 3 374.395 3.451 20 0 FGADHM COc1ccc2c(c1)OCC[C@@H]2N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1F ZINC000826212933 609337706 /nfs/dbraw/zinc/33/77/06/609337706.db2.gz FZAXLPJIBOAVLK-GTNSWQLSSA-N -1 3 369.400 3.189 20 0 FGADHM CCN(CC)c1ccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2F)cn1 ZINC000825416454 609347934 /nfs/dbraw/zinc/34/79/34/609347934.db2.gz IXPDNDZOGFTSMG-LBPRGKRZSA-N -1 3 355.421 3.420 20 0 FGADHM CCN(CC)c1ccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2F)cn1 ZINC000825416454 609347936 /nfs/dbraw/zinc/34/79/36/609347936.db2.gz IXPDNDZOGFTSMG-LBPRGKRZSA-N -1 3 355.421 3.420 20 0 FGADHM CCN(Cc1ccoc1)Cc1ccc(-c2nnn[n-]2)cc1Br ZINC000825439628 609359049 /nfs/dbraw/zinc/35/90/49/609359049.db2.gz IFBKVCHPAXDLNM-UHFFFAOYSA-N -1 3 362.231 3.244 20 0 FGADHM CCN(Cc1ccoc1)Cc1ccc(-c2nn[n-]n2)cc1Br ZINC000825439628 609359051 /nfs/dbraw/zinc/35/90/51/609359051.db2.gz IFBKVCHPAXDLNM-UHFFFAOYSA-N -1 3 362.231 3.244 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)C[C@H]1CCO[C@@H](C(C)C)C1 ZINC000825609337 609371870 /nfs/dbraw/zinc/37/18/70/609371870.db2.gz KAHMPEKVSIOTKO-XJKSGUPXSA-N -1 3 374.441 3.012 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)C[C@H]1CCO[C@@H](C(C)C)C1 ZINC000825609337 609371872 /nfs/dbraw/zinc/37/18/72/609371872.db2.gz KAHMPEKVSIOTKO-XJKSGUPXSA-N -1 3 374.441 3.012 20 0 FGADHM CC[C@@H]1C[C@H](CC(=O)N(CC(C)C)c2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000825182387 609376090 /nfs/dbraw/zinc/37/60/90/609376090.db2.gz IQPVTNXGMKNAAO-CRAIPNDOSA-N -1 3 371.485 3.451 20 0 FGADHM CC[C@@H]1C[C@H](CC(=O)N(CC(C)C)c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000825182387 609376092 /nfs/dbraw/zinc/37/60/92/609376092.db2.gz IQPVTNXGMKNAAO-CRAIPNDOSA-N -1 3 371.485 3.451 20 0 FGADHM CC[C@H]1C[C@H](CC(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)CCO1 ZINC000825184697 609394130 /nfs/dbraw/zinc/39/41/30/609394130.db2.gz YHUCOYYQSAEUSW-YPMHNXCESA-N -1 3 363.849 3.078 20 0 FGADHM CC[C@H]1C[C@H](CC(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)CCO1 ZINC000825184697 609394132 /nfs/dbraw/zinc/39/41/32/609394132.db2.gz YHUCOYYQSAEUSW-YPMHNXCESA-N -1 3 363.849 3.078 20 0 FGADHM CC(C)(C)[C@H]1CCc2nc(NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)sc2C1 ZINC000824078625 609403909 /nfs/dbraw/zinc/40/39/09/609403909.db2.gz JKSQGHMDRGAOFC-JTQLQIEISA-N -1 3 371.470 3.055 20 0 FGADHM CC(C)(C)[C@H]1CCc2nc(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)sc2C1 ZINC000824078625 609403911 /nfs/dbraw/zinc/40/39/11/609403911.db2.gz JKSQGHMDRGAOFC-JTQLQIEISA-N -1 3 371.470 3.055 20 0 FGADHM O=C1[C@@H](Nc2ccc(Cl)cc2)CCCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000826478140 609412103 /nfs/dbraw/zinc/41/21/03/609412103.db2.gz VDPAIDHDSJEGOA-INIZCTEOSA-N -1 3 368.828 3.128 20 0 FGADHM O=C1[C@@H](Nc2ccc(Cl)cc2)CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826478140 609412106 /nfs/dbraw/zinc/41/21/06/609412106.db2.gz VDPAIDHDSJEGOA-INIZCTEOSA-N -1 3 368.828 3.128 20 0 FGADHM O=C1[C@@H](Nc2ccc(C3CC3)cc2)CCCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000826478032 609417711 /nfs/dbraw/zinc/41/77/11/609417711.db2.gz SGUIINAUTHEJKW-IBGZPJMESA-N -1 3 374.448 3.352 20 0 FGADHM O=C1[C@@H](Nc2ccc(C3CC3)cc2)CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826478032 609417713 /nfs/dbraw/zinc/41/77/13/609417713.db2.gz SGUIINAUTHEJKW-IBGZPJMESA-N -1 3 374.448 3.352 20 0 FGADHM COc1cc(Nc2nnc(C)c(C)c2-c2nnn[n-]2)cc(OC)c1C(C)C ZINC000826181148 609437893 /nfs/dbraw/zinc/43/78/93/609437893.db2.gz MPKOLQKBOSHOPX-UHFFFAOYSA-N -1 3 369.429 3.158 20 0 FGADHM COc1cc(Nc2nnc(C)c(C)c2-c2nn[n-]n2)cc(OC)c1C(C)C ZINC000826181148 609437895 /nfs/dbraw/zinc/43/78/95/609437895.db2.gz MPKOLQKBOSHOPX-UHFFFAOYSA-N -1 3 369.429 3.158 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1CNc1ccc(F)cc1OC(C)C ZINC000826184492 609440014 /nfs/dbraw/zinc/44/00/14/609440014.db2.gz ZCNRGNKQHZLFOH-UHFFFAOYSA-N -1 3 357.389 3.414 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1CNc1ccc(F)cc1OC(C)C ZINC000826184492 609440016 /nfs/dbraw/zinc/44/00/16/609440016.db2.gz ZCNRGNKQHZLFOH-UHFFFAOYSA-N -1 3 357.389 3.414 20 0 FGADHM CN(Cc1ccccc1)c1ccc(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)cc1 ZINC000825980734 609442111 /nfs/dbraw/zinc/44/21/11/609442111.db2.gz IGSSMYDXHAISGR-UHFFFAOYSA-N -1 3 373.420 3.084 20 0 FGADHM CN(Cc1ccccc1)c1ccc(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)cc1 ZINC000825980734 609442112 /nfs/dbraw/zinc/44/21/12/609442112.db2.gz IGSSMYDXHAISGR-UHFFFAOYSA-N -1 3 373.420 3.084 20 0 FGADHM FC(F)(F)c1cc(SCCOC[C@@H]2CCCO2)ccc1-c1nnn[n-]1 ZINC000826368263 609453415 /nfs/dbraw/zinc/45/34/15/609453415.db2.gz JKJBFVBVCSOHHS-JTQLQIEISA-N -1 3 374.388 3.173 20 0 FGADHM FC(F)(F)c1cc(SCCOC[C@@H]2CCCO2)ccc1-c1nn[n-]n1 ZINC000826368263 609453417 /nfs/dbraw/zinc/45/34/17/609453417.db2.gz JKJBFVBVCSOHHS-JTQLQIEISA-N -1 3 374.388 3.173 20 0 FGADHM Clc1ccc(CNc2nc3ccccn3c2-c2nnn[n-]2)c(Cl)c1 ZINC000826351925 609455733 /nfs/dbraw/zinc/45/57/33/609455733.db2.gz HGSNNZYWEFHAGC-UHFFFAOYSA-N -1 3 360.208 3.433 20 0 FGADHM Clc1ccc(CNc2nc3ccccn3c2-c2nn[n-]n2)c(Cl)c1 ZINC000826351925 609455735 /nfs/dbraw/zinc/45/57/35/609455735.db2.gz HGSNNZYWEFHAGC-UHFFFAOYSA-N -1 3 360.208 3.433 20 0 FGADHM c1ccc([C@H](Nc2nc3ccccn3c2-c2nnn[n-]2)c2ccccn2)cc1 ZINC000826521103 609458029 /nfs/dbraw/zinc/45/80/29/609458029.db2.gz ZPXBXEQHOOFCBE-KRWDZBQOSA-N -1 3 368.404 3.111 20 0 FGADHM c1ccc([C@H](Nc2nc3ccccn3c2-c2nn[n-]n2)c2ccccn2)cc1 ZINC000826521103 609458031 /nfs/dbraw/zinc/45/80/31/609458031.db2.gz ZPXBXEQHOOFCBE-KRWDZBQOSA-N -1 3 368.404 3.111 20 0 FGADHM Cc1c2cc(F)ccc2oc1CNc1nc2ccccn2c1-c1nnn[n-]1 ZINC000826236372 609464682 /nfs/dbraw/zinc/46/46/82/609464682.db2.gz JIWRFVBRWSHAMS-UHFFFAOYSA-N -1 3 363.356 3.320 20 0 FGADHM Cc1c2cc(F)ccc2oc1CNc1nc2ccccn2c1-c1nn[n-]n1 ZINC000826236372 609464683 /nfs/dbraw/zinc/46/46/83/609464683.db2.gz JIWRFVBRWSHAMS-UHFFFAOYSA-N -1 3 363.356 3.320 20 0 FGADHM CC(C)CNC(=O)c1ccccc1NCc1cccc(-c2nnn[n-]2)c1F ZINC000824266025 609474929 /nfs/dbraw/zinc/47/49/29/609474929.db2.gz BWGVFPUUKLJOIQ-UHFFFAOYSA-N -1 3 368.416 3.004 20 0 FGADHM CC(C)CNC(=O)c1ccccc1NCc1cccc(-c2nn[n-]n2)c1F ZINC000824266025 609474931 /nfs/dbraw/zinc/47/49/31/609474931.db2.gz BWGVFPUUKLJOIQ-UHFFFAOYSA-N -1 3 368.416 3.004 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NCc1cccc2c1OCCCO2 ZINC000825632470 609477201 /nfs/dbraw/zinc/47/72/01/609477201.db2.gz TUOKCSVFBNLUSN-UHFFFAOYSA-N -1 3 367.409 3.039 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NCc1cccc2c1OCCCO2 ZINC000825632470 609477204 /nfs/dbraw/zinc/47/72/04/609477204.db2.gz TUOKCSVFBNLUSN-UHFFFAOYSA-N -1 3 367.409 3.039 20 0 FGADHM COCCCOc1ccccc1NCc1cccc(-c2nnn[n-]2)c1F ZINC000826157028 609478502 /nfs/dbraw/zinc/47/85/02/609478502.db2.gz FITXLVNIRQBWNK-UHFFFAOYSA-N -1 3 357.389 3.033 20 0 FGADHM COCCCOc1ccccc1NCc1cccc(-c2nn[n-]n2)c1F ZINC000826157028 609478503 /nfs/dbraw/zinc/47/85/03/609478503.db2.gz FITXLVNIRQBWNK-UHFFFAOYSA-N -1 3 357.389 3.033 20 0 FGADHM c1ccc(-c2nnn[n-]2)c(COc2ncnc3sc4c(c32)CCCC4)c1 ZINC000826520007 609480012 /nfs/dbraw/zinc/48/00/12/609480012.db2.gz XFUQSROYFKQALL-UHFFFAOYSA-N -1 3 364.434 3.329 20 0 FGADHM c1ccc(-c2nn[n-]n2)c(COc2ncnc3sc4c(c32)CCCC4)c1 ZINC000826520007 609480013 /nfs/dbraw/zinc/48/00/13/609480013.db2.gz XFUQSROYFKQALL-UHFFFAOYSA-N -1 3 364.434 3.329 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NCc1c(C)nn(C(C)(C)C)c1C ZINC000826186009 609481351 /nfs/dbraw/zinc/48/13/51/609481351.db2.gz AJGWDQKIVHZHIY-UHFFFAOYSA-N -1 3 355.446 3.056 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NCc1c(C)nn(C(C)(C)C)c1C ZINC000826186009 609481353 /nfs/dbraw/zinc/48/13/53/609481353.db2.gz AJGWDQKIVHZHIY-UHFFFAOYSA-N -1 3 355.446 3.056 20 0 FGADHM CC(=O)Nc1ccc(CNc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)cc1 ZINC000823999669 609491572 /nfs/dbraw/zinc/49/15/72/609491572.db2.gz GLTITWBVYBKPQY-UHFFFAOYSA-N -1 3 366.425 3.224 20 0 FGADHM CC(=O)Nc1ccc(CNc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)cc1 ZINC000823999669 609491573 /nfs/dbraw/zinc/49/15/73/609491573.db2.gz GLTITWBVYBKPQY-UHFFFAOYSA-N -1 3 366.425 3.224 20 0 FGADHM CC(C)Oc1ccc(NC(=O)c2cccnc2C2CC2)cc1-c1nnn[n-]1 ZINC000824329386 609509582 /nfs/dbraw/zinc/50/95/82/609509582.db2.gz OLBLEFFFFQUCDU-UHFFFAOYSA-N -1 3 364.409 3.179 20 0 FGADHM CC(C)Oc1ccc(NC(=O)c2cccnc2C2CC2)cc1-c1nn[n-]n1 ZINC000824329386 609509583 /nfs/dbraw/zinc/50/95/83/609509583.db2.gz OLBLEFFFFQUCDU-UHFFFAOYSA-N -1 3 364.409 3.179 20 0 FGADHM C[C@@H](C(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1)c1ccccc1 ZINC000826231265 609510671 /nfs/dbraw/zinc/51/06/71/609510671.db2.gz DQCNTXJMPRQXKU-OAHLLOKOSA-N -1 3 359.433 3.286 20 0 FGADHM C[C@@H](C(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1)c1ccccc1 ZINC000826231265 609510673 /nfs/dbraw/zinc/51/06/73/609510673.db2.gz DQCNTXJMPRQXKU-OAHLLOKOSA-N -1 3 359.433 3.286 20 0 FGADHM COc1ccc([C@@H](C)N(C)c2ncc(Cl)c(C)c2-c2nnn[n-]2)cc1 ZINC000826187770 609527884 /nfs/dbraw/zinc/52/78/84/609527884.db2.gz DTYVGXJLPQVFES-LLVKDONJSA-N -1 3 358.833 3.430 20 0 FGADHM COc1ccc([C@@H](C)N(C)c2ncc(Cl)c(C)c2-c2nn[n-]n2)cc1 ZINC000826187770 609527885 /nfs/dbraw/zinc/52/78/85/609527885.db2.gz DTYVGXJLPQVFES-LLVKDONJSA-N -1 3 358.833 3.430 20 0 FGADHM CCOc1cc(CNc2ncc(Cl)c(C)c2-c2nnn[n-]2)ccc1OC ZINC000825615809 609552157 /nfs/dbraw/zinc/55/21/57/609552157.db2.gz LPIOJISUEYBMIG-UHFFFAOYSA-N -1 3 374.832 3.243 20 0 FGADHM CCOc1cc(CNc2ncc(Cl)c(C)c2-c2nn[n-]n2)ccc1OC ZINC000825615809 609552160 /nfs/dbraw/zinc/55/21/60/609552160.db2.gz LPIOJISUEYBMIG-UHFFFAOYSA-N -1 3 374.832 3.243 20 0 FGADHM Cc1ccccc1[C@@H]1CN(c2ncc(Cl)c(C)c2-c2nnn[n-]2)CCO1 ZINC000826307188 609559929 /nfs/dbraw/zinc/55/99/29/609559929.db2.gz YKYWEOVYUKFVSV-HNNXBMFYSA-N -1 3 370.844 3.110 20 0 FGADHM Cc1ccccc1[C@@H]1CN(c2ncc(Cl)c(C)c2-c2nn[n-]n2)CCO1 ZINC000826307188 609559930 /nfs/dbraw/zinc/55/99/30/609559930.db2.gz YKYWEOVYUKFVSV-HNNXBMFYSA-N -1 3 370.844 3.110 20 0 FGADHM Cc1ccnc(N2CCCC[C@@H]2c2nc3ccccc3o2)c1-c1nnn[n-]1 ZINC000826310829 609583570 /nfs/dbraw/zinc/58/35/70/609583570.db2.gz JMZFNJWSACCANT-CQSZACIVSA-N -1 3 361.409 3.443 20 0 FGADHM Cc1ccnc(N2CCCC[C@@H]2c2nc3ccccc3o2)c1-c1nn[n-]n1 ZINC000826310829 609583571 /nfs/dbraw/zinc/58/35/71/609583571.db2.gz JMZFNJWSACCANT-CQSZACIVSA-N -1 3 361.409 3.443 20 0 FGADHM Cc1c(Cl)cnc(N(Cc2ccccc2)[C@H](C)CCO)c1-c1nnn[n-]1 ZINC000826237317 609584082 /nfs/dbraw/zinc/58/40/82/609584082.db2.gz VQSROLUIYANHCG-GFCCVEGCSA-N -1 3 372.860 3.001 20 0 FGADHM Cc1c(Cl)cnc(N(Cc2ccccc2)[C@H](C)CCO)c1-c1nn[n-]n1 ZINC000826237317 609584083 /nfs/dbraw/zinc/58/40/83/609584083.db2.gz VQSROLUIYANHCG-GFCCVEGCSA-N -1 3 372.860 3.001 20 0 FGADHM Cc1c(Cl)cnc(N(Cc2ccccc2)[C@@H](C)CCO)c1-c1nnn[n-]1 ZINC000826237318 609584418 /nfs/dbraw/zinc/58/44/18/609584418.db2.gz VQSROLUIYANHCG-LBPRGKRZSA-N -1 3 372.860 3.001 20 0 FGADHM Cc1c(Cl)cnc(N(Cc2ccccc2)[C@@H](C)CCO)c1-c1nn[n-]n1 ZINC000826237318 609584419 /nfs/dbraw/zinc/58/44/19/609584419.db2.gz VQSROLUIYANHCG-LBPRGKRZSA-N -1 3 372.860 3.001 20 0 FGADHM O=C(CSc1ccccc1)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826420791 609613486 /nfs/dbraw/zinc/61/34/86/609613486.db2.gz CDGVAMRNBOTBDT-UHFFFAOYSA-N -1 3 360.826 3.356 20 0 FGADHM O=C(CSc1ccccc1)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826420791 609613487 /nfs/dbraw/zinc/61/34/87/609613487.db2.gz CDGVAMRNBOTBDT-UHFFFAOYSA-N -1 3 360.826 3.356 20 0 FGADHM CC(C)Oc1cccnc1C(=O)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000824333364 609616759 /nfs/dbraw/zinc/61/67/59/609616759.db2.gz IKKOHIWOPRTSOZ-UHFFFAOYSA-N -1 3 373.800 3.059 20 0 FGADHM CC(C)Oc1cccnc1C(=O)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000824333364 609616760 /nfs/dbraw/zinc/61/67/60/609616760.db2.gz IKKOHIWOPRTSOZ-UHFFFAOYSA-N -1 3 373.800 3.059 20 0 FGADHM Cc1ccc(C(F)(F)C(=O)OCc2cccc(-c3nnn[n-]3)c2F)cc1 ZINC000826283878 609625854 /nfs/dbraw/zinc/62/58/54/609625854.db2.gz DEGXFBBLSAHASL-UHFFFAOYSA-N -1 3 362.311 3.149 20 0 FGADHM Cc1ccc(C(F)(F)C(=O)OCc2cccc(-c3nn[n-]n3)c2F)cc1 ZINC000826283878 609625855 /nfs/dbraw/zinc/62/58/55/609625855.db2.gz DEGXFBBLSAHASL-UHFFFAOYSA-N -1 3 362.311 3.149 20 0 FGADHM Cc1ccc2ccccc2c1COC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826294938 609630617 /nfs/dbraw/zinc/63/06/17/609630617.db2.gz KEUPIBCMMMBJFR-LJQANCHMSA-N -1 3 374.400 3.105 20 0 FGADHM Cc1ccc2ccccc2c1COC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826294938 609630619 /nfs/dbraw/zinc/63/06/19/609630619.db2.gz KEUPIBCMMMBJFR-LJQANCHMSA-N -1 3 374.400 3.105 20 0 FGADHM O=c1cc(C(F)(F)F)nc(CNc2ccn(C3CCSCC3)n2)[n-]1 ZINC000634569001 677077554 /nfs/dbraw/zinc/07/75/54/677077554.db2.gz IBVVNULNIOWSQL-UHFFFAOYSA-N -1 3 359.377 3.078 20 0 FGADHM COc1ccc(OC)c(NC(=O)COC(=O)c2cc(Cl)c(Cl)[n-]2)c1 ZINC000011808773 695602292 /nfs/dbraw/zinc/60/22/92/695602292.db2.gz KSDHSFJFQSXFGL-UHFFFAOYSA-N -1 3 373.192 3.134 20 0 FGADHM COC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2cc(Cl)c(Cl)[n-]2)c1C ZINC000011809842 695602935 /nfs/dbraw/zinc/60/29/35/695602935.db2.gz REBOFCGJZZJZSS-UHFFFAOYSA-N -1 3 373.192 3.093 20 0 FGADHM O=C(COC(=O)c1ccc(SC(F)F)cc1)[N-]C(=O)c1cccs1 ZINC000029005889 695707878 /nfs/dbraw/zinc/70/78/78/695707878.db2.gz UOVSFSONYBKBBS-UHFFFAOYSA-N -1 3 371.386 3.176 20 0 FGADHM CCCOc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)NC)c2)cc1 ZINC000029047880 695708469 /nfs/dbraw/zinc/70/84/69/695708469.db2.gz NWKZPMCDLRURGP-UHFFFAOYSA-N -1 3 363.439 3.028 20 0 FGADHM CCCCCCNC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000029787861 695716338 /nfs/dbraw/zinc/71/63/38/695716338.db2.gz AXGTVXQRCGPFPC-UHFFFAOYSA-N -1 3 358.479 3.213 20 0 FGADHM C[C@@H](N(C)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)C(C)(C)C ZINC000030420575 695722876 /nfs/dbraw/zinc/72/28/76/695722876.db2.gz ZZDZISYWVGXXJB-GFCCVEGCSA-N -1 3 372.506 3.409 20 0 FGADHM COc1ccc(-c2nc(CSc3nc4nncc-4c(O)[n-]3)co2)cc1 ZINC000031610760 695737595 /nfs/dbraw/zinc/73/75/95/695737595.db2.gz KMESPFROPGRJEI-UHFFFAOYSA-N -1 3 355.379 3.014 20 0 FGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(F)ccc2F)ccc1F ZINC000031873780 695739877 /nfs/dbraw/zinc/73/98/77/695739877.db2.gz QZFOHKYSPGKBEL-UHFFFAOYSA-N -1 3 372.368 3.043 20 0 FGADHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]C[C@@H]1C[C@@H]1C ZINC000032474212 695745658 /nfs/dbraw/zinc/74/56/58/695745658.db2.gz IRKRERCMPDQJMG-YUMQZZPRSA-N -1 3 368.680 3.045 20 0 FGADHM O=C([N-]NC(=S)Nc1ccc(F)cc1F)c1ccc2ccccc2n1 ZINC000042084008 695772349 /nfs/dbraw/zinc/77/23/49/695772349.db2.gz AARCBQCGDRVEPG-UHFFFAOYSA-N -1 3 358.373 3.144 20 0 FGADHM C[C@@H]1CCC[C@@H](NC(=O)N[N-]C(=O)c2ccccc2Br)[C@@H]1C ZINC000043043441 695788592 /nfs/dbraw/zinc/78/85/92/695788592.db2.gz FORWOQXBVILGGV-JTNHKYCSSA-N -1 3 368.275 3.218 20 0 FGADHM COc1cc[n-]c(=NNC(=O)c2cnc(-c3ccccc3Cl)s2)n1 ZINC000050562353 695904210 /nfs/dbraw/zinc/90/42/10/695904210.db2.gz BETPHRAJBSCNOH-UHFFFAOYSA-N -1 3 361.814 3.019 20 0 FGADHM COc1ccc(NC(=O)N[N-]C(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000052816771 695925145 /nfs/dbraw/zinc/92/51/45/695925145.db2.gz AYWJQQZGKSGBJA-UHFFFAOYSA-N -1 3 354.193 3.469 20 0 FGADHM COc1ccc(CCC(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1Cl ZINC000073445024 695969144 /nfs/dbraw/zinc/96/91/44/695969144.db2.gz OXNVTDGIIGFZNN-UHFFFAOYSA-N -1 3 357.801 3.100 20 0 FGADHM COc1ccc(CCC(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1Cl ZINC000073445024 695969145 /nfs/dbraw/zinc/96/91/45/695969145.db2.gz OXNVTDGIIGFZNN-UHFFFAOYSA-N -1 3 357.801 3.100 20 0 FGADHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1ccc(OCC(F)(F)F)cc1 ZINC000073719141 695971946 /nfs/dbraw/zinc/97/19/46/695971946.db2.gz OQFMLGGGOYZOCN-UHFFFAOYSA-N -1 3 352.272 3.258 20 0 FGADHM CCCCN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)[C@H](C)CC ZINC000078382891 700277987 /nfs/dbraw/zinc/27/79/87/700277987.db2.gz HKJBPBMHPZLJFV-CYBMUJFWSA-N -1 3 370.490 3.307 20 0 FGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)/C=C(/C)C(C)(C)C)cc1OC ZINC000079663585 700302894 /nfs/dbraw/zinc/30/28/94/700302894.db2.gz YQMLNFAMVUAWIF-BENRWUELSA-N -1 3 354.472 3.388 20 0 FGADHM O=C(Nc1cc(Br)ccc1[O-])[C@H]1Cc2cc(F)ccc2O1 ZINC000085585726 700367730 /nfs/dbraw/zinc/36/77/30/700367730.db2.gz MFBDXQOLOIOFMH-CQSZACIVSA-N -1 3 352.159 3.236 20 0 FGADHM O=C(OCC(F)F)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000103656190 700487727 /nfs/dbraw/zinc/48/77/27/700487727.db2.gz DVHSFRLUAIPPOD-UHFFFAOYSA-N -1 3 359.325 3.048 20 0 FGADHM Cc1cc(Br)ccc1NC(=O)c1nnc2ccccc2c1[O-] ZINC000110041194 700538013 /nfs/dbraw/zinc/53/80/13/700538013.db2.gz XGWAQVWJJSODDP-UHFFFAOYSA-N -1 3 358.195 3.246 20 0 FGADHM CC(=O)N(C)c1ccccc1[N-]S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000118302280 700609048 /nfs/dbraw/zinc/60/90/48/700609048.db2.gz KUZQGSZDOOKLKY-UHFFFAOYSA-N -1 3 356.447 3.398 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)c1c(C)noc1C ZINC000119378406 700627330 /nfs/dbraw/zinc/62/73/30/700627330.db2.gz IQHHLGFAVIKQNV-NSHDSACASA-N -1 3 364.254 3.423 20 0 FGADHM Cc1ccc([C@H](C)OC(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)cc1 ZINC000120169479 700649933 /nfs/dbraw/zinc/64/99/33/700649933.db2.gz KMYLUMZMSNHIFC-LBPRGKRZSA-N -1 3 351.399 3.424 20 0 FGADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H]1CC(C)(C)c2ccccc21 ZINC000126019557 700742828 /nfs/dbraw/zinc/74/28/28/700742828.db2.gz NWZXHOBSTMXELX-ZDUSSCGKSA-N -1 3 353.875 3.083 20 0 FGADHM O=C(Nc1cc(Br)ccc1[O-])[C@H](O)c1ccccc1Cl ZINC000127054044 700756853 /nfs/dbraw/zinc/75/68/53/700756853.db2.gz FNCGZMTYXWOJPC-CYBMUJFWSA-N -1 3 356.603 3.480 20 0 FGADHM C[C@H]1CCN(Cc2cc(Br)cc3c2OCC3)[C@H](C(=O)[O-])C1 ZINC000129472512 700788505 /nfs/dbraw/zinc/78/85/05/700788505.db2.gz RWNDTJBFVVWIDZ-HZMBPMFUSA-N -1 3 354.244 3.069 20 0 FGADHM CCCCO[C@@H](C)C(=O)O[C@@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000139075959 704876255 /nfs/dbraw/zinc/87/62/55/704876255.db2.gz YJRXQWUOMLTSEW-QWRGUYRKSA-N -1 3 352.456 3.411 20 0 FGADHM Cc1noc(C)c1[C@@H](C)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000151539316 704927964 /nfs/dbraw/zinc/92/79/64/704927964.db2.gz QPLWGDPYDFIIDV-MRVPVSSYSA-N -1 3 353.216 3.179 20 0 FGADHM C[C@@H](C(=O)N[N-]C(=O)c1ccc(F)cc1Br)c1ccsc1 ZINC000156602050 705123710 /nfs/dbraw/zinc/12/37/10/705123710.db2.gz FITZFOPUPPMIBJ-MRVPVSSYSA-N -1 3 371.231 3.214 20 0 FGADHM Cc1ccc([C@H](O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC000159397585 705222662 /nfs/dbraw/zinc/22/26/62/705222662.db2.gz KGVITJOTYKTSGV-CQSZACIVSA-N -1 3 360.262 3.314 20 0 FGADHM Cc1ccc([C@@H](O)C[N-]S(=O)(=O)c2cccc(Cl)c2Cl)cc1 ZINC000159449358 705224540 /nfs/dbraw/zinc/22/45/40/705224540.db2.gz SGGKCHWHQKEQAK-ZDUSSCGKSA-N -1 3 360.262 3.314 20 0 FGADHM O=S(=O)([N-]C[C@@H](O)c1cccc(F)c1)c1cc(Cl)ccc1Cl ZINC000160074307 705243712 /nfs/dbraw/zinc/24/37/12/705243712.db2.gz SRYBATBWMCCJGO-CYBMUJFWSA-N -1 3 364.225 3.144 20 0 FGADHM C[C@@H](Cc1cccc(Cl)c1)C(=O)NN=c1ccc(C(F)(F)F)n[n-]1 ZINC000161785683 705282928 /nfs/dbraw/zinc/28/29/28/705282928.db2.gz OQWUHOIAUYKIOP-VIFPVBQESA-N -1 3 358.751 3.471 20 0 FGADHM O=c1[n-]nc(S[C@@H]2CCc3c2cccc3Cl)n1C[C@H]1CCCO1 ZINC000162183325 705290583 /nfs/dbraw/zinc/29/05/83/705290583.db2.gz OSCQWWCYFYTHFM-QMTHXVAHSA-N -1 3 351.859 3.183 20 0 FGADHM Cc1nonc1[N-]C(=O)c1cnn(-c2ccccc2C)c1C(F)(F)F ZINC000170800207 705362086 /nfs/dbraw/zinc/36/20/86/705362086.db2.gz ZGMBQXLLRHZDLW-UHFFFAOYSA-N -1 3 351.288 3.143 20 0 FGADHM CC(C)[C@H](CCN(C)C(=O)c1ccccc1[O-])NC(=O)OC(C)(C)C ZINC000175466425 705548484 /nfs/dbraw/zinc/54/84/84/705548484.db2.gz CEMHDAWCCWCNHJ-HNNXBMFYSA-N -1 3 350.459 3.404 20 0 FGADHM CSc1cccc(NC(=O)[C@@H](C)O[N-]C(=O)Cc2ccc(C)cc2)c1 ZINC000178159396 705656527 /nfs/dbraw/zinc/65/65/27/705656527.db2.gz KBEBQUJBCWEMEP-CQSZACIVSA-N -1 3 358.463 3.334 20 0 FGADHM COc1ccc(N[C@@H]2C[C@H](OCC(C)C)C2(C)C)cc1[N-]S(C)(=O)=O ZINC000182735487 705859401 /nfs/dbraw/zinc/85/94/01/705859401.db2.gz DKIRGVUJAGTONR-SJORKVTESA-N -1 3 370.515 3.318 20 0 FGADHM CC1(C(=O)NN=c2[n-]c(Br)cn3ccnc23)CCCCCC1 ZINC000183225676 705882744 /nfs/dbraw/zinc/88/27/44/705882744.db2.gz RWVKYQPERBFSQT-UHFFFAOYSA-N -1 3 366.263 3.295 20 0 FGADHM O=C(NN=c1ccc(Cl)n[n-]1)c1csc(Cc2cccc(F)c2)n1 ZINC000183843376 705905529 /nfs/dbraw/zinc/90/55/29/705905529.db2.gz WNYPQBWNPOMYMV-UHFFFAOYSA-N -1 3 363.805 3.073 20 0 FGADHM C[C@H]([N-]S(=O)(=O)CC[C@@H]1CCCCO1)c1nc(C2CCCCC2)no1 ZINC000641363181 717892960 /nfs/dbraw/zinc/89/29/60/717892960.db2.gz PHQMFHBGCHPCJP-ZFWWWQNUSA-N -1 3 371.503 3.057 20 0 FGADHM O=S(=O)([N-]c1ccc(O)cc1F)c1ccc(F)cc1Br ZINC000184617793 712673595 /nfs/dbraw/zinc/67/35/95/712673595.db2.gz VQJUIDGZDKWXFK-UHFFFAOYSA-N -1 3 364.167 3.234 20 0 FGADHM CSCCCCCNC(=O)N[N-]C(=O)c1ccc(Cl)cc1Cl ZINC000186173037 712711277 /nfs/dbraw/zinc/71/12/77/712711277.db2.gz VXSRBZALIWDUHW-UHFFFAOYSA-N -1 3 364.298 3.471 20 0 FGADHM CCc1ccccc1S(=O)(=O)[N-]c1ccc(N2CCO[C@H](C)C2)cc1 ZINC000187462424 712743115 /nfs/dbraw/zinc/74/31/15/712743115.db2.gz RXXJPJJULZKXAL-OAHLLOKOSA-N -1 3 360.479 3.275 20 0 FGADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)/C=C/c1ccc[nH]1 ZINC000187792234 712754469 /nfs/dbraw/zinc/75/44/69/712754469.db2.gz GSVKCBKXAMNGHQ-FNORWQNLSA-N -1 3 373.356 3.057 20 0 FGADHM CN(Cc1ccc(Br)o1)C(=O)/C(C#N)=C\c1ccc([O-])cc1 ZINC000188181194 712763714 /nfs/dbraw/zinc/76/37/14/712763714.db2.gz UXWPRUOOOWCKHD-WQLSENKSSA-N -1 3 361.195 3.313 20 0 FGADHM N#C/C(=C\c1ccc([O-])cc1)C(=O)NCc1cccc(Br)c1 ZINC000188319495 712767384 /nfs/dbraw/zinc/76/73/84/712767384.db2.gz MSMPYLJZNPJCHC-RIYZIHGNSA-N -1 3 357.207 3.378 20 0 FGADHM O=S(=O)([N-]c1ccc(OC2COC2)cc1)c1ccc(F)c(Cl)c1 ZINC000188591039 712772869 /nfs/dbraw/zinc/77/28/69/712772869.db2.gz KOBMONOCPIFGFN-UHFFFAOYSA-N -1 3 357.790 3.058 20 0 FGADHM Cc1ccc([O-])c(C(=O)NOCc2ccc(F)cc2Br)c1 ZINC000188924950 712781477 /nfs/dbraw/zinc/78/14/77/712781477.db2.gz 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713547669 /nfs/dbraw/zinc/54/76/69/713547669.db2.gz HEOIZQWUSFYBIN-UHFFFAOYSA-N -1 3 364.858 3.278 20 0 FGADHM CN(C)c1ccc([N-]S(=O)(=O)c2ccc(Br)c(F)c2)cc1 ZINC000231616683 713577825 /nfs/dbraw/zinc/57/78/25/713577825.db2.gz MRBSQSIPEAMICE-UHFFFAOYSA-N -1 3 373.247 3.455 20 0 FGADHM COc1cc(C=NNC(=O)COc2cc(C)cc(C)c2)cc(Cl)c1[O-] ZINC000254815109 713676656 /nfs/dbraw/zinc/67/66/56/713676656.db2.gz CVVMEIXMODXDBR-UHFFFAOYSA-N -1 3 362.813 3.200 20 0 FGADHM CCCCn1ncc([N-]S(=O)(=O)[C@H]2C[C@@H]2c2cccc(F)c2)c1C ZINC000641685488 717920719 /nfs/dbraw/zinc/92/07/19/717920719.db2.gz IWTSOTNQYONWFP-WBVHZDCISA-N -1 3 351.447 3.429 20 0 FGADHM COc1c(C)cc(C)cc1S(=O)(=O)[N-]c1cccc(CO)c1Cl ZINC000641691788 717921500 /nfs/dbraw/zinc/92/15/00/717921500.db2.gz QJMRGOGKDYEYLN-UHFFFAOYSA-N -1 3 355.843 3.259 20 0 FGADHM O=C([O-])c1ccc(CN[C@@H]2CCCN(c3ccccc3Cl)C2=O)cc1 ZINC000263426575 713745622 /nfs/dbraw/zinc/74/56/22/713745622.db2.gz QUGYGUOQKLMNIU-MRXNPFEDSA-N -1 3 358.825 3.323 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1)c1nc([C@@H]2CCCS2)no1 ZINC000274097230 713754991 /nfs/dbraw/zinc/75/49/91/713754991.db2.gz HRKYAINCFDTXME-CABZTGNLSA-N -1 3 373.887 3.331 20 0 FGADHM O=S(=O)([N-]CCOC1CCCCCC1)c1cnc(Cl)c(Cl)c1 ZINC000303817115 713788790 /nfs/dbraw/zinc/78/87/90/713788790.db2.gz ONMQNPIATGCGIB-UHFFFAOYSA-N -1 3 367.298 3.406 20 0 FGADHM O=S(=O)(C=Cc1ccc(Cl)cc1)[N-]c1n[nH]cc1Br ZINC000311789776 713801833 /nfs/dbraw/zinc/80/18/33/713801833.db2.gz LYVAEPYHHPDACO-WAYWQWQTSA-N -1 3 362.636 3.238 20 0 FGADHM O=S(=O)([N-]C[C@H]1CCCCC1(F)F)c1ccc(C(F)(F)F)cn1 ZINC000451642056 714052022 /nfs/dbraw/zinc/05/20/22/714052022.db2.gz PGWIQGZOFJGYRI-SECBINFHSA-N -1 3 358.332 3.204 20 0 FGADHM CC(C)COc1ccc(S(=O)(=O)[N-]c2cccc([S@@](C)=O)c2)cc1 ZINC000522744171 714203935 /nfs/dbraw/zinc/20/39/35/714203935.db2.gz DMKGZBHLKPJRNC-HSZRJFAPSA-N -1 3 367.492 3.260 20 0 FGADHM O=S(=O)([N-][C@H]1CCCN(c2ccccc2)C1)c1ccc(Cl)s1 ZINC000523732634 714249816 /nfs/dbraw/zinc/24/98/16/714249816.db2.gz 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ZINC000577332420 714464059 /nfs/dbraw/zinc/46/40/59/714464059.db2.gz UZMDZCKKXGDSOZ-UHFFFAOYSA-N -1 3 367.398 3.120 20 0 FGADHM O=C(NCC1CCN(Cc2ccncc2)CC1)c1ccc([O-])c(Cl)c1 ZINC000617978740 714707264 /nfs/dbraw/zinc/70/72/64/714707264.db2.gz PDVYOAYLRURWSP-UHFFFAOYSA-N -1 3 359.857 3.083 20 0 FGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(O[C@H]2CC2(F)F)cc1 ZINC000620275104 714905748 /nfs/dbraw/zinc/90/57/48/714905748.db2.gz UYCGTQTWBWOGIY-NSHDSACASA-N -1 3 367.377 3.251 20 0 FGADHM O=S(=O)([N-]CC[C@@H]1CC1(F)F)c1cc(Br)ccc1Cl ZINC000621303990 714979605 /nfs/dbraw/zinc/97/96/05/714979605.db2.gz VLNFHHQIHAPTKH-SSDOTTSWSA-N -1 3 374.634 3.426 20 0 FGADHM C[C@H]1CCN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)C[C@@H]1CO ZINC000621367671 714985643 /nfs/dbraw/zinc/98/56/43/714985643.db2.gz CKGPFDROTNTNTA-NWDGAFQWSA-N -1 3 359.451 3.107 20 0 FGADHM COc1ccccc1-c1cc(=NC(=O)c2ccc3ncsc3c2)[nH][n-]1 ZINC000621529495 715000847 /nfs/dbraw/zinc/00/08/47/715000847.db2.gz GZENVNWRIJBUNE-UHFFFAOYSA-N -1 3 350.403 3.369 20 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/nfs/dbraw/zinc/69/66/15/715696615.db2.gz CYHLWSOFHIXKOD-NSHDSACASA-N -1 3 366.874 3.332 20 0 FGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CO[C@H](C3CC3)C2)c1Cl ZINC000625577541 715754750 /nfs/dbraw/zinc/75/47/50/715754750.db2.gz BXKOPSIXWWBZQI-PWSUYJOCSA-N -1 3 350.267 3.148 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]CC2(C(F)(F)F)CCCC2)c(F)c1 ZINC000625622529 715760794 /nfs/dbraw/zinc/76/07/94/715760794.db2.gz KRCTYDRNCVVUQI-UHFFFAOYSA-N -1 3 355.353 3.235 20 0 FGADHM COc1ccc(F)cc1S(=O)(=O)[N-]CC1(C(F)(F)F)CCCC1 ZINC000625622804 715760850 /nfs/dbraw/zinc/76/08/50/715760850.db2.gz QHLVQLDUKQZAEX-UHFFFAOYSA-N -1 3 355.353 3.235 20 0 FGADHM O=C(NC[C@H]1CCC2(CCCC2)O1)c1cc([O-])cc(Br)c1 ZINC000628027496 716098908 /nfs/dbraw/zinc/09/89/08/716098908.db2.gz ZYJZCLBGQJTGQS-CQSZACIVSA-N -1 3 354.244 3.376 20 0 FGADHM CO[C@H](Cc1ccc(F)cc1)CS(=O)(=O)[N-]c1ccc(F)c(F)c1 ZINC000629281397 716249690 /nfs/dbraw/zinc/24/96/90/716249690.db2.gz ALFDEXNBKJPDLU-CQSZACIVSA-N -1 3 359.369 3.103 20 0 FGADHM 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ZINC000677240390 721875257 /nfs/dbraw/zinc/87/52/57/721875257.db2.gz AVNLJSRBSNEDGL-YMTOWFKASA-N -1 3 360.888 3.159 20 0 FGADHM CC(=O)Nc1c(C)ccc(NCc2nc(C(F)(F)F)cc(=O)[n-]2)c1C ZINC000678354258 721954175 /nfs/dbraw/zinc/95/41/75/721954175.db2.gz AYSRQHHYCNHQOF-UHFFFAOYSA-N -1 3 354.332 3.388 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)[C@@H]1CCCCO1 ZINC000679011382 721996354 /nfs/dbraw/zinc/99/63/54/721996354.db2.gz DAJUSJYZGFRSEB-SKDRFNHKSA-N -1 3 355.353 3.080 20 0 FGADHM Cc1ccc(C(=O)N(Cc2ccccc2)C[C@@H](O)C(F)(F)F)c([O-])c1 ZINC000679693027 722043249 /nfs/dbraw/zinc/04/32/49/722043249.db2.gz ZWJKUMAGUYUGKK-MRXNPFEDSA-N -1 3 353.340 3.266 20 0 FGADHM C[C@@]1([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)CCO[C@H]1C1CC1 ZINC000680108800 722072554 /nfs/dbraw/zinc/07/25/54/722072554.db2.gz INQQZLZRXIKGTL-UONOGXRCSA-N -1 3 367.364 3.080 20 0 FGADHM C[C@@]1([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)CCO[C@H]1C1CC1 ZINC000680108952 722072778 /nfs/dbraw/zinc/07/27/78/722072778.db2.gz NIZNLWWOTUNRDN-UONOGXRCSA-N -1 3 367.364 3.080 20 0 FGADHM CS[C@H]1CC[C@H]([N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)C1 ZINC000805018127 725044182 /nfs/dbraw/zinc/04/41/82/725044182.db2.gz ABDJVNFCBKWMBG-IUCAKERBSA-N -1 3 373.393 3.287 20 0 FGADHM Cc1nc(-c2ccccc2C)sc1C(=O)[N-]c1nn2cnnc2s1 ZINC000681508620 722208821 /nfs/dbraw/zinc/20/88/21/722208821.db2.gz LACWBBUPSPSAKV-UHFFFAOYSA-N -1 3 356.436 3.178 20 0 FGADHM Cc1ccc(-c2ncc(C(=O)Nc3c(C)[nH]c(=O)[n-]c3=O)s2)c(C)c1 ZINC000681732902 722218707 /nfs/dbraw/zinc/21/87/07/722218707.db2.gz BHNRJIMNHWWGDW-UHFFFAOYSA-N -1 3 356.407 3.189 20 0 FGADHM COc1ccc(NC=C2C(=O)[N-]C(=O)c3ccccc32)c(Br)c1 ZINC000727113563 722441493 /nfs/dbraw/zinc/44/14/93/722441493.db2.gz SBVXQCUMLNWSMJ-UKTHLTGXSA-N -1 3 373.206 3.181 20 0 FGADHM Cc1nonc1[N-]C(=O)c1cnn(-c2cccc(C)c2)c1C(F)(F)F ZINC000727709914 722446948 /nfs/dbraw/zinc/44/69/48/722446948.db2.gz XDXYBJXNONAVAG-UHFFFAOYSA-N -1 3 351.288 3.143 20 0 FGADHM C[C@H]1C[C@H]1c1ccc(C[N-]S(=O)(=O)c2c(Cl)nc3sccn32)o1 ZINC000728580918 722452748 /nfs/dbraw/zinc/45/27/48/722452748.db2.gz BMNPNVPXBRLMJQ-WCBMZHEXSA-N -1 3 371.871 3.244 20 0 FGADHM CSc1nc(NC(=O)C=Cc2ccc(C)cc2Br)n[n-]1 ZINC000729353122 722459118 /nfs/dbraw/zinc/45/91/18/722459118.db2.gz ZLQIIGNIQFDDJO-WAYWQWQTSA-N -1 3 353.245 3.249 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]c2cc(N3CCCC3=O)ccc2F)ccc1F ZINC000729835552 722462951 /nfs/dbraw/zinc/46/29/51/722462951.db2.gz BFCRDKWUJDUKER-UHFFFAOYSA-N -1 3 366.389 3.201 20 0 FGADHM C[C@@H](NC(=O)CO[N-]C(=O)CCC1CCCCC1)c1ccc(F)cc1 ZINC000730100598 722465298 /nfs/dbraw/zinc/46/52/98/722465298.db2.gz QSEMXXFGWPNQRF-CQSZACIVSA-N -1 3 350.434 3.411 20 0 FGADHM CC(C)C[C@H](C)N(C)C(=O)COC(=O)c1cccc(Br)c1[O-] ZINC000730364129 722467845 /nfs/dbraw/zinc/46/78/45/722467845.db2.gz CWEARUNXLCOZON-NSHDSACASA-N -1 3 372.259 3.205 20 0 FGADHM COC(=O)c1cc(COC(=O)c2cccc(Br)c2[O-])oc1C ZINC000730366413 722467917 /nfs/dbraw/zinc/46/79/17/722467917.db2.gz WKFNMPNIFCTBRK-UHFFFAOYSA-N -1 3 369.167 3.200 20 0 FGADHM O=C(OCc1cn(-c2ccccc2)nn1)c1cccc(Br)c1[O-] ZINC000730365762 722467959 /nfs/dbraw/zinc/46/79/59/722467959.db2.gz QQHFEPHIKHHVQD-UHFFFAOYSA-N -1 3 374.194 3.092 20 0 FGADHM CSc1nc(NC(=O)c2ccc(F)c(NC(=O)OC(C)(C)C)c2)n[n-]1 ZINC000730539763 722469044 /nfs/dbraw/zinc/46/90/44/722469044.db2.gz JMLSZTFCYBEYRN-UHFFFAOYSA-N -1 3 367.406 3.265 20 0 FGADHM COC(=O)c1sc(S(=O)(=O)[N-]CCC=C(C)C)c(C)c1Cl ZINC000788678476 725080622 /nfs/dbraw/zinc/08/06/22/725080622.db2.gz PFMBEHWWGKUUGX-UHFFFAOYSA-N -1 3 351.877 3.131 20 0 FGADHM Cc1nc([C@H](C)[N-]S(=O)(=O)c2ccc(Cl)nc2Cl)cs1 ZINC000730815897 722471181 /nfs/dbraw/zinc/47/11/81/722471181.db2.gz QSHXBMQXAMCQOR-LURJTMIESA-N -1 3 352.268 3.193 20 0 FGADHM C[C@H](OC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)c1ccccc1Br ZINC000732340855 722484143 /nfs/dbraw/zinc/48/41/43/722484143.db2.gz NSNIMQMKURLEGJ-VIFPVBQESA-N -1 3 374.190 3.251 20 0 FGADHM Cc1nc(CCC(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)cs1 ZINC000733100840 722492642 /nfs/dbraw/zinc/49/26/42/722492642.db2.gz ZKHBOKRIYMMSFG-UHFFFAOYSA-N -1 3 354.435 3.082 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(NC(C)=O)c(C)c2)c(C)c1C ZINC000735266888 722514250 /nfs/dbraw/zinc/51/42/50/722514250.db2.gz BPNPEDYIXMTNPH-UHFFFAOYSA-N -1 3 362.451 3.380 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1c(F)cc(F)cc1F ZINC000738151918 722528945 /nfs/dbraw/zinc/52/89/45/722528945.db2.gz KUHKKWWRQLQQKM-UHFFFAOYSA-N -1 3 353.691 3.190 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1c(F)cc(F)cc1F ZINC000738151918 722528946 /nfs/dbraw/zinc/52/89/46/722528946.db2.gz KUHKKWWRQLQQKM-UHFFFAOYSA-N -1 3 353.691 3.190 20 0 FGADHM CC(C)c1ccccc1OCC[N-]S(=O)(=O)c1cccnc1Cl ZINC000738376194 722530045 /nfs/dbraw/zinc/53/00/45/722530045.db2.gz HSFIKWGHTISWIA-UHFFFAOYSA-N -1 3 354.859 3.216 20 0 FGADHM O=C([O-])[C@H](NCc1cccc(N2CCCC2=O)c1)c1cccc(Cl)c1 ZINC000739501300 722533211 /nfs/dbraw/zinc/53/32/11/722533211.db2.gz VZMKJRNGJFLADG-GOSISDBHSA-N -1 3 358.825 3.382 20 0 FGADHM O=C([O-])[C@@H](NCc1cccc(N2CCCC2=O)c1)c1cccc(Cl)c1 ZINC000739501303 722533227 /nfs/dbraw/zinc/53/32/27/722533227.db2.gz VZMKJRNGJFLADG-SFHVURJKSA-N -1 3 358.825 3.382 20 0 FGADHM O=C1[N-]C(=O)C(=CNc2ccc(Br)c(F)c2)c2ccccc21 ZINC000742026378 722551405 /nfs/dbraw/zinc/55/14/05/722551405.db2.gz NSBVYMPMFIQGGE-WQLSENKSSA-N -1 3 361.170 3.311 20 0 FGADHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)C12CCC2 ZINC000742306455 722554908 /nfs/dbraw/zinc/55/49/08/722554908.db2.gz FCNDMYHRRLZYGN-VXGBXAGGSA-N -1 3 365.282 3.014 20 0 FGADHM CS[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)C1 ZINC000742330063 722555587 /nfs/dbraw/zinc/55/55/87/722555587.db2.gz TWWMRDIUWFHFMM-VHSXEESVSA-N -1 3 357.394 3.407 20 0 FGADHM CCO[C@H](CC[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)C(C)C ZINC000746052553 722592780 /nfs/dbraw/zinc/59/27/80/722592780.db2.gz KGNAWZSLMPQAJB-GFCCVEGCSA-N -1 3 355.287 3.118 20 0 FGADHM COC(=O)/C=C/c1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2F)cc1 ZINC000747596198 722651674 /nfs/dbraw/zinc/65/16/74/722651674.db2.gz KIPCTHYMMKNMGD-RUDMXATFSA-N -1 3 369.801 3.466 20 0 FGADHM O=C(COC(=O)c1cc(F)cc(Cl)c1[O-])N1CCCc2ccccc21 ZINC000748473986 722692712 /nfs/dbraw/zinc/69/27/12/722692712.db2.gz DYDRGEOPUUGSQO-UHFFFAOYSA-N -1 3 363.772 3.321 20 0 FGADHM O=C(COC(=O)c1cc(F)cc(Cl)c1[O-])NCc1cccc(Cl)c1 ZINC000748480952 722693534 /nfs/dbraw/zinc/69/35/34/722693534.db2.gz YZSCQIPBVKFEJJ-UHFFFAOYSA-N -1 3 372.179 3.311 20 0 FGADHM O=C([N-]C[C@@H](c1cccc(Cl)c1)N1CCCC1)C(F)(F)C(F)F ZINC000749346046 722725270 /nfs/dbraw/zinc/72/52/70/722725270.db2.gz FJGORRMEJFKGKH-LBPRGKRZSA-N -1 3 352.759 3.494 20 0 FGADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]CC[C@@H](O)c1ccccc1 ZINC000751463969 722807943 /nfs/dbraw/zinc/80/79/43/722807943.db2.gz TUZCXFZLNLCURK-MRXNPFEDSA-N -1 3 363.410 3.282 20 0 FGADHM CC(C)[C@@H]1OCCC[C@H]1C[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000751987935 722839750 /nfs/dbraw/zinc/83/97/50/722839750.db2.gz PQORILFJLPAJBY-GWCFXTLKSA-N -1 3 367.298 3.118 20 0 FGADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]C[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000752264212 722851695 /nfs/dbraw/zinc/85/16/95/722851695.db2.gz COFLIZLIEDEXFA-VHSXEESVSA-N -1 3 373.828 3.029 20 0 FGADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H]1CCC[C@H](c2ccccc2)C1 ZINC000752874077 722875530 /nfs/dbraw/zinc/87/55/30/722875530.db2.gz BLWRCWOBEAWSTB-GJZGRUSLSA-N -1 3 367.902 3.387 20 0 FGADHM Cc1noc(C2CC2)c1[N-]C(=O)c1cc(S(C)(=O)=O)ccc1Cl ZINC000753971446 722920961 /nfs/dbraw/zinc/92/09/61/722920961.db2.gz KWJKHSFMDCQDTR-UHFFFAOYSA-N -1 3 354.815 3.170 20 0 FGADHM Cc1cc(=O)[n-]c(CSc2nnc(Cc3cccs3)n2C2CC2)n1 ZINC000754450707 722938829 /nfs/dbraw/zinc/93/88/29/722938829.db2.gz KOAWHJHVKOMGBI-UHFFFAOYSA-N -1 3 359.480 3.362 20 0 FGADHM O=C(Nc1ccc(Cl)cc1[O-])[C@H]1CC(c2cc(F)ccc2F)=NO1 ZINC000759696572 723017107 /nfs/dbraw/zinc/01/71/07/723017107.db2.gz HNNXXYDPMCHHSV-OAHLLOKOSA-N -1 3 352.724 3.456 20 0 FGADHM Cc1cc(=O)[n-]c([C@H](C)N2CCC(COc3ccc(Cl)nc3)CC2)n1 ZINC000790358086 723130628 /nfs/dbraw/zinc/13/06/28/723130628.db2.gz XZPOIUOAMJAALK-ZDUSSCGKSA-N -1 3 362.861 3.391 20 0 FGADHM Cn1nnnc1-c1cccc(NC(=O)c2cc3sccc3c([O-])c2)c1 ZINC000791311509 723228559 /nfs/dbraw/zinc/22/85/59/723228559.db2.gz ZNEITPRDFVMDSO-UHFFFAOYSA-N -1 3 351.391 3.050 20 0 FGADHM Cc1ccnc(COC(=O)c2ccc(I)c([O-])c2)c1 ZINC000791448645 723245001 /nfs/dbraw/zinc/24/50/01/723245001.db2.gz GYXPMCVFYOICSQ-UHFFFAOYSA-N -1 3 369.158 3.057 20 0 FGADHM O=C(Cc1ccc(I)cc1)[N-]OC1CCCCC1 ZINC000792607821 723351260 /nfs/dbraw/zinc/35/12/60/723351260.db2.gz UUYCYMVHCAIJFQ-UHFFFAOYSA-N -1 3 359.207 3.214 20 0 FGADHM C[C@@H](NC(=O)c1cc([O-])ccc1Cl)c1cccc(N2CCOC2=O)c1 ZINC000764443401 723413688 /nfs/dbraw/zinc/41/36/88/723413688.db2.gz QDZMRNACCYTPJE-LLVKDONJSA-N -1 3 360.797 3.493 20 0 FGADHM C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cc([O-])ccc1Cl ZINC000764505864 723420098 /nfs/dbraw/zinc/42/00/98/723420098.db2.gz HZEWIZSUOQAXLR-LLVKDONJSA-N -1 3 354.834 3.127 20 0 FGADHM C[C@@H]1OCC[C@@H]1COC(=O)c1n[n-]c(-c2ccccc2)c1Br ZINC000793440246 723438776 /nfs/dbraw/zinc/43/87/76/723438776.db2.gz JPNZITICFQYIEM-CMPLNLGQSA-N 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723560138 /nfs/dbraw/zinc/56/01/38/723560138.db2.gz VWTUSGUSOZPEAG-VIFPVBQESA-N -1 3 370.685 3.405 20 0 FGADHM COC(=O)c1cccc(Cl)c1CO[N-]C(=O)CCOc1ccccc1 ZINC000795209790 723572671 /nfs/dbraw/zinc/57/26/71/723572671.db2.gz PAWQVENPOVJFSG-UHFFFAOYSA-N -1 3 363.797 3.144 20 0 FGADHM Cc1cc([N-]S(=O)(=O)C[C@H]2CCCOC2)ccc1C(=O)OC(C)(C)C ZINC000795346504 723583663 /nfs/dbraw/zinc/58/36/63/723583663.db2.gz UYUOCMVZGHWOEB-AWEZNQCLSA-N -1 3 369.483 3.119 20 0 FGADHM Cc1ccc(-c2ncccc2[N-]S(=O)(=O)C[C@@H]2CCCOC2)s1 ZINC000795350002 723584082 /nfs/dbraw/zinc/58/40/82/723584082.db2.gz KVZCVICWYIIBIX-CYBMUJFWSA-N -1 3 352.481 3.287 20 0 FGADHM O=C(COC(=O)c1cccc(Br)c1[O-])[C@H]1Cc2ccccc21 ZINC000795502337 723595584 /nfs/dbraw/zinc/59/55/84/723595584.db2.gz UXACJWUDFKFNRF-ZDUSSCGKSA-N -1 3 361.191 3.221 20 0 FGADHM COC(=O)c1ncc([N-]S(=O)(=O)/C=C/c2ccc(C)cc2)cc1Cl ZINC000795617339 723602644 /nfs/dbraw/zinc/60/26/44/723602644.db2.gz XZVSZFKFDYNBRF-BQYQJAHWSA-N -1 3 366.826 3.243 20 0 FGADHM 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CC(C)N1CCC[C@@H](Sc2cccc(Cl)c2-c2nn[n-]n2)C1=O ZINC000824300107 729329549 /nfs/dbraw/zinc/32/95/49/729329549.db2.gz CTIYWYVCLZUJMX-GFCCVEGCSA-N -1 3 351.863 3.012 20 0 FGADHM CC(C)c1csc([C@@H]2CCCN(c3cnccc3-c3nnn[n-]3)C2)n1 ZINC000824352523 729332533 /nfs/dbraw/zinc/33/25/33/729332533.db2.gz GZQTYXHGWRNTCA-GFCCVEGCSA-N -1 3 355.471 3.226 20 0 FGADHM CC(C)c1csc([C@@H]2CCCN(c3cnccc3-c3nn[n-]n3)C2)n1 ZINC000824352523 729332534 /nfs/dbraw/zinc/33/25/34/729332534.db2.gz GZQTYXHGWRNTCA-GFCCVEGCSA-N -1 3 355.471 3.226 20 0 FGADHM C[C@@H](NC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)[C@H](C)c1ccccc1 ZINC000824522910 729345394 /nfs/dbraw/zinc/34/53/94/729345394.db2.gz WULHCVBJFGKKKR-NWDGAFQWSA-N -1 3 355.829 3.442 20 0 FGADHM C[C@@H](NC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)[C@H](C)c1ccccc1 ZINC000824522910 729345395 /nfs/dbraw/zinc/34/53/95/729345395.db2.gz WULHCVBJFGKKKR-NWDGAFQWSA-N -1 3 355.829 3.442 20 0 FGADHM CCCc1csc(NC(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000825352453 729379904 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Cc1ccnc(N[C@H]2C[C@@H]2c2cccc(Br)c2)c1-c1nnn[n-]1 ZINC000826312807 729407127 /nfs/dbraw/zinc/40/71/27/729407127.db2.gz OWDREYZJMAQHOT-OLZOCXBDSA-N -1 3 371.242 3.301 20 0 FGADHM Cc1ccnc(N[C@H]2C[C@@H]2c2cccc(Br)c2)c1-c1nn[n-]n1 ZINC000826312807 729407129 /nfs/dbraw/zinc/40/71/29/729407129.db2.gz OWDREYZJMAQHOT-OLZOCXBDSA-N -1 3 371.242 3.301 20 0 FGADHM Cc1cccc(NCC(=O)Nc2cc(Cl)ccc2-c2nnn[n-]2)c1F ZINC000826299866 729407177 /nfs/dbraw/zinc/40/71/77/729407177.db2.gz YZBOERYMJKZXMH-UHFFFAOYSA-N -1 3 360.780 3.018 20 0 FGADHM Cc1cccc(NCC(=O)Nc2cc(Cl)ccc2-c2nn[n-]n2)c1F ZINC000826299866 729407178 /nfs/dbraw/zinc/40/71/78/729407178.db2.gz YZBOERYMJKZXMH-UHFFFAOYSA-N -1 3 360.780 3.018 20 0 FGADHM FC(F)(F)[C@@H](NCC[C@H]1CCCCO1)c1cccc(-c2nnn[n-]2)c1 ZINC000826367165 729407590 /nfs/dbraw/zinc/40/75/90/729407590.db2.gz OJAFZHLVQUQXET-KGLIPLIRSA-N -1 3 355.364 3.019 20 0 FGADHM FC(F)(F)[C@@H](NCC[C@H]1CCCCO1)c1cccc(-c2nn[n-]n2)c1 ZINC000826367165 729407591 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COC(=O)[C@H](NC(=O)c1cc([O-])c2ccccc2c1)[C@H]1CCC[C@H](OC)C1 ZINC000568135623 505625150 /nfs/dbraw/zinc/62/51/50/505625150.db2.gz HHWYFBQYIBSNHH-URLQWDBASA-N -1 3 371.433 3.022 20 0 FGADHM COc1cccc2c1n[n-]c2C(=O)Nc1cc(-c2nc(C)no2)ccc1C ZINC000571003062 505630708 /nfs/dbraw/zinc/63/07/08/505630708.db2.gz MCXCEROOFXSTBO-UHFFFAOYSA-N -1 3 363.377 3.491 20 0 FGADHM COc1cccc2c(C(=O)Nc3cc(-c4nc(C)no4)ccc3C)n[n-]c21 ZINC000571003062 505630711 /nfs/dbraw/zinc/63/07/11/505630711.db2.gz MCXCEROOFXSTBO-UHFFFAOYSA-N -1 3 363.377 3.491 20 0 FGADHM COc1ccc(SCCc2nc(-c3ccc4n[n-]nc4c3)no2)cc1 ZINC000571018428 505633050 /nfs/dbraw/zinc/63/30/50/505633050.db2.gz RAMZKMUMQSONPL-UHFFFAOYSA-N -1 3 353.407 3.351 20 0 FGADHM Cn1cc([C@@H]2CN(Cc3cc(=O)[n-]c(-c4ccccc4)n3)CC2(C)C)cn1 ZINC000568178668 505635159 /nfs/dbraw/zinc/63/51/59/505635159.db2.gz VIUFZWHQJBCEQN-SFHVURJKSA-N -1 3 363.465 3.208 20 0 FGADHM CC[C@@H]1C[C@@H](NC(=O)c2ccc(C(=O)c3cccc([O-])c3)cc2)CCO1 ZINC000579944005 505650753 /nfs/dbraw/zinc/65/07/53/505650753.db2.gz GMINYWFVWGOOIB-PKOBYXMFSA-N -1 3 353.418 3.311 20 0 FGADHM C[C@H](NC(=O)CN1C[C@@H](C(=O)[O-])CC[C@@H]1C)c1ccc(Cl)cc1Cl ZINC000579951672 505652005 /nfs/dbraw/zinc/65/20/05/505652005.db2.gz YKYUCDRWCNRDDD-SRVKXCTJSA-N -1 3 373.280 3.356 20 0 FGADHM CCOC(=O)c1ncc([N-]C(=O)c2ncoc2-c2ccc(OC)cc2)s1 ZINC000577051815 505653096 /nfs/dbraw/zinc/65/30/96/505653096.db2.gz UBQKQVYNGSXTSZ-UHFFFAOYSA-N -1 3 373.390 3.236 20 0 FGADHM Cc1oc(CN2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)cc1C(=O)[O-] ZINC000568290723 505660393 /nfs/dbraw/zinc/66/03/93/505660393.db2.gz QFJGQHDEWMCILN-CQSZACIVSA-N -1 3 361.360 3.467 20 0 FGADHM O=C([O-])c1cccc(OCCN2CC[C@]3(C2)CCc2ccccc2O3)c1 ZINC000568292406 505660605 /nfs/dbraw/zinc/66/06/05/505660605.db2.gz MBGNSMCNDWDQTG-NRFANRHFSA-N -1 3 353.418 3.233 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2c3c(ccc2Cl)OCC3)cc1C ZINC000580025172 505664368 /nfs/dbraw/zinc/66/43/68/505664368.db2.gz HSIIZNZXOJULNX-UHFFFAOYSA-N -1 3 353.827 3.393 20 0 FGADHM CC(=O)c1cccc(NC(=O)c2ccn(-c3ccc(F)cc3C)n2)c1[O-] ZINC000568317921 505665219 /nfs/dbraw/zinc/66/52/19/505665219.db2.gz PDGXALNDLKILMK-UHFFFAOYSA-N -1 3 353.353 3.480 20 0 FGADHM Cc1nc2ccc(S(=O)(=O)[N-][C@H]3COc4ccc(C)cc43)cc2s1 ZINC000568345421 505671239 /nfs/dbraw/zinc/67/12/39/505671239.db2.gz NLUAXTZMXFLECH-HNNXBMFYSA-N -1 3 360.460 3.325 20 0 FGADHM CC(C)c1csc(C[N-]S(=O)(=O)c2nc3ccccc3s2)n1 ZINC000571204701 505678950 /nfs/dbraw/zinc/67/89/50/505678950.db2.gz ROUNOMUNXYBPTO-UHFFFAOYSA-N -1 3 353.494 3.355 20 0 FGADHM CC(C)c1ccc(OS(=O)(=O)c2c[n-]c(C(=O)N3CCCC3)c2)cc1 ZINC000027951225 493768766 /nfs/dbraw/zinc/76/87/66/493768766.db2.gz LODSHXRICGRZNT-UHFFFAOYSA-N -1 3 362.451 3.142 20 0 FGADHM O=C(NCCc1cccc(Cl)c1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000048017131 493774146 /nfs/dbraw/zinc/77/41/46/493774146.db2.gz PIXGNHWUDRFRAW-KRWDZBQOSA-N -1 3 372.852 3.009 20 0 FGADHM CC[C@H](CNC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])c1ccccc1 ZINC000048028692 493775314 /nfs/dbraw/zinc/77/53/14/493775314.db2.gz DUNNFLFBQBQSJG-VQIMIIECSA-N -1 3 366.461 3.307 20 0 FGADHM COC[C@@H]([N-]S(=O)(=O)Cc1cccc(C(F)(F)F)c1)c1ccco1 ZINC000080790039 493778857 /nfs/dbraw/zinc/77/88/57/493778857.db2.gz SYUPYZWQXROYMX-CYBMUJFWSA-N -1 3 363.357 3.106 20 0 FGADHM COc1cc(CN2CCN(C(=O)c3ccccc3[O-])CC2)ccc1SC ZINC000080929996 493793261 /nfs/dbraw/zinc/79/32/61/493793261.db2.gz BSLGBJLXNCGVTD-UHFFFAOYSA-N -1 3 372.490 3.081 20 0 FGADHM COc1cc(Br)c(S(=O)(=O)[N-]CC(C)C)cc1Cl ZINC000081037300 493819006 /nfs/dbraw/zinc/81/90/06/493819006.db2.gz NDWHVPRIMCVUNO-UHFFFAOYSA-N -1 3 356.669 3.045 20 0 FGADHM CC[C@H](CNC(=O)c1cc(=O)[n-]c(C2CC2)n1)Oc1cccc(Cl)c1 ZINC000577188511 505683365 /nfs/dbraw/zinc/68/33/65/505683365.db2.gz FUXIDMDRRSNMLN-CYBMUJFWSA-N -1 3 361.829 3.300 20 0 FGADHM CCCS(=O)(=O)[N-]c1ccc(C(=O)N2c3ccccc3C[C@H]2C)cc1 ZINC000076196509 493841081 /nfs/dbraw/zinc/84/10/81/493841081.db2.gz CNEFGVMVXDBMOQ-CQSZACIVSA-N -1 3 358.463 3.430 20 0 FGADHM CCCS(=O)(=O)[N-]c1ccc(C(=O)Nc2cnn(C(C)(C)C)c2)cc1 ZINC000076204999 493843932 /nfs/dbraw/zinc/84/39/32/493843932.db2.gz KRJXNPJJYRBABR-UHFFFAOYSA-N -1 3 364.471 3.042 20 0 FGADHM CCCS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc(C)cc2OC)cc1 ZINC000076203232 493844016 /nfs/dbraw/zinc/84/40/16/493844016.db2.gz RFUGSLMUMBPHAB-UHFFFAOYSA-N -1 3 362.451 3.408 20 0 FGADHM C[C@@H](c1ccccc1Cl)N(C)C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000068633204 493847940 /nfs/dbraw/zinc/84/79/40/493847940.db2.gz HGTUEVRJZBIJHL-JTQLQIEISA-N -1 3 357.797 3.449 20 0 FGADHM CN(C)c1c(Cl)cccc1NC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000058397635 493848945 /nfs/dbraw/zinc/84/89/45/493848945.db2.gz OAHZVUPMFRFOQW-UHFFFAOYSA-N -1 3 367.858 3.030 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H]3CCOc4ccc(F)cc43)nc2)n1 ZINC000068764740 493868812 /nfs/dbraw/zinc/86/88/12/493868812.db2.gz ZMFBRGMVGZUIEY-MRXNPFEDSA-N -1 3 366.396 3.469 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]C2(c3noc(C)n3)CCCCCC2)s1 ZINC000030355541 493888178 /nfs/dbraw/zinc/88/81/78/493888178.db2.gz SLSYHQYKBSOWLC-UHFFFAOYSA-N -1 3 355.485 3.276 20 0 FGADHM CS(=O)(=O)[N-]c1ccc(C(=O)COc2cccc(C(F)(F)F)c2)cc1 ZINC000058911129 493893326 /nfs/dbraw/zinc/89/33/26/493893326.db2.gz MIZIAZDXTHORTC-UHFFFAOYSA-N -1 3 373.352 3.339 20 0 FGADHM O=C(CCNC(=O)Cc1ccccc1)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000081459107 493897957 /nfs/dbraw/zinc/89/79/57/493897957.db2.gz MXMZHKSDIDWPTB-UHFFFAOYSA-N -1 3 366.339 3.099 20 0 FGADHM CCC[C@@H](CC)[N-]S(=O)(=O)c1cc(Br)ccc1OC ZINC000050165146 493904032 /nfs/dbraw/zinc/90/40/32/493904032.db2.gz NSHPQPJTGFAXTO-LLVKDONJSA-N -1 3 350.278 3.315 20 0 FGADHM O=S(=O)([N-][C@@H]1CCC[C@H](C(F)(F)F)C1)c1cnn(-c2ccccc2)c1 ZINC000069039207 493910677 /nfs/dbraw/zinc/91/06/77/493910677.db2.gz KXRDDUPIACXKML-QWHCGFSZSA-N -1 3 373.400 3.272 20 0 FGADHM O=S(=O)([N-]c1ccc(OCC2CCOCC2)cc1)c1ccc(F)cc1 ZINC000076557904 493922709 /nfs/dbraw/zinc/92/27/09/493922709.db2.gz HVGGCGPNNDUCKH-UHFFFAOYSA-N -1 3 365.426 3.432 20 0 FGADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1cccc(Oc2nccs2)c1 ZINC000076583637 493929042 /nfs/dbraw/zinc/92/90/42/493929042.db2.gz WICQYEWHXGWPME-UHFFFAOYSA-N -1 3 355.301 3.325 20 0 FGADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1cccc(Oc2nccs2)c1 ZINC000076583637 493929045 /nfs/dbraw/zinc/92/90/45/493929045.db2.gz WICQYEWHXGWPME-UHFFFAOYSA-N -1 3 355.301 3.325 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)NCc2sccc2Br)c1 ZINC000060480027 493938122 /nfs/dbraw/zinc/93/81/22/493938122.db2.gz QLYAADLDGFXGAT-UHFFFAOYSA-N -1 3 369.240 3.105 20 0 FGADHM CCc1cccc(C(=O)N2CCCN(Cc3ccc(OC)cc3)CC2)c1[O-] ZINC000081933231 493968572 /nfs/dbraw/zinc/96/85/72/493968572.db2.gz GHZWOQUCBXJQGE-UHFFFAOYSA-N -1 3 368.477 3.311 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)cc2C)cc1C ZINC000032094613 493974268 /nfs/dbraw/zinc/97/42/68/493974268.db2.gz GXVQBXNPCDBRIY-UHFFFAOYSA-N -1 3 360.479 3.249 20 0 FGADHM CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000032419910 493988130 /nfs/dbraw/zinc/98/81/30/493988130.db2.gz 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ZINC000064467961 494125885 /nfs/dbraw/zinc/12/58/85/494125885.db2.gz UDDDTACPHREAGD-UHFFFAOYSA-N -1 3 370.377 3.437 20 0 FGADHM CNC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(SC)cc2)c1 ZINC000064476239 494126801 /nfs/dbraw/zinc/12/68/01/494126801.db2.gz FFUJLJMDPNNEKA-UHFFFAOYSA-N -1 3 370.883 3.222 20 0 FGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000064487526 494128846 /nfs/dbraw/zinc/12/88/46/494128846.db2.gz SBKQJHGDVAEQHT-UONOGXRCSA-N -1 3 364.854 3.454 20 0 FGADHM Cc1nn(C)c(C)c1C[C@H](C)C(=O)Nc1cc(Br)ccc1[O-] ZINC000085590485 494133175 /nfs/dbraw/zinc/13/31/75/494133175.db2.gz QITMIMZLWMZKAM-VIFPVBQESA-N -1 3 366.259 3.322 20 0 FGADHM CCN(CC)[C@@H](CNC(=O)c1c[n-]c2ccccc2c1=O)c1ccsc1 ZINC000053501717 494138977 /nfs/dbraw/zinc/13/89/77/494138977.db2.gz LPCOZUXUYKMGRP-SFHVURJKSA-N -1 3 369.490 3.403 20 0 FGADHM Cc1nc(C)c(CCC(=O)N2CCCCC[C@H]2c2ccccc2)c(=O)[n-]1 ZINC000077687114 494144140 /nfs/dbraw/zinc/14/41/40/494144140.db2.gz XLQJEZRMZWGCBZ-IBGZPJMESA-N -1 3 353.466 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COc1ccc(C(=O)N(C)Cc2cccc(Br)c2)c([O-])c1 ZINC000042354269 494219203 /nfs/dbraw/zinc/21/92/03/494219203.db2.gz NSSDKHIHPRHQDQ-UHFFFAOYSA-N -1 3 350.212 3.436 20 0 FGADHM COC(=O)COc1ccc(NC(=O)c2cc3c(cc2[O-])CCCC3)cc1 ZINC000065618410 494220623 /nfs/dbraw/zinc/22/06/23/494220623.db2.gz UOAUMAGCVFCNGW-UHFFFAOYSA-N -1 3 355.390 3.075 20 0 FGADHM Cc1ccc(C(=O)N2CCCN(C(=O)c3ccc(Cl)cc3)CC2)c([O-])c1 ZINC000065716049 494228522 /nfs/dbraw/zinc/22/85/22/494228522.db2.gz OQMBJVPTPZYMRS-UHFFFAOYSA-N -1 3 372.852 3.342 20 0 FGADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N1CCC(Cc2ccccc2)CC1 ZINC000065751671 494234075 /nfs/dbraw/zinc/23/40/75/494234075.db2.gz GLBQQYRUQNKVES-UHFFFAOYSA-N -1 3 363.417 3.057 20 0 FGADHM C[C@@H](COCC(F)(F)F)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000065793885 494238497 /nfs/dbraw/zinc/23/84/97/494238497.db2.gz HHFOKZHWCXMBDT-ZETCQYMHSA-N -1 3 366.188 3.239 20 0 FGADHM CCCCC1CCC(CNC(=O)C[N-]S(=O)(=O)c2cccs2)CC1 ZINC000065848465 494246318 /nfs/dbraw/zinc/24/63/18/494246318.db2.gz 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ZINC000055136655 494305749 /nfs/dbraw/zinc/30/57/49/494305749.db2.gz LVTIHLMPCBQOPA-UHFFFAOYSA-N -1 3 362.813 3.155 20 0 FGADHM Cc1ccc(-c2csc([N-]C(=O)c3nc4nccc(C)n4n3)n2)cc1 ZINC000014376387 494316669 /nfs/dbraw/zinc/31/66/69/494316669.db2.gz VCKPTWRDUVVMEO-UHFFFAOYSA-N -1 3 350.407 3.117 20 0 FGADHM COC(=O)c1sc2[n-]c(CN(C)C3CCCCCC3)nc(=O)c2c1C ZINC000014705167 494322926 /nfs/dbraw/zinc/32/29/26/494322926.db2.gz SJTYGNQTUYAKDS-UHFFFAOYSA-N -1 3 363.483 3.234 20 0 FGADHM COC(=O)c1ccc(CN2CCC(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000078657297 494337781 /nfs/dbraw/zinc/33/77/81/494337781.db2.gz DLEMUITTZUYEJW-UHFFFAOYSA-N -1 3 353.418 3.274 20 0 FGADHM Cc1nc(-c2ccc(NC(=O)N3CCC[C@H]3c3cc[nH]n3)cc2)cc(=O)[n-]1 ZINC000571360014 505714418 /nfs/dbraw/zinc/71/44/18/505714418.db2.gz OSSCVDADLZSHOM-KRWDZBQOSA-N -1 3 364.409 3.250 20 0 FGADHM Cc1ccccc1NC(=O)Cc1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000055491495 494352320 /nfs/dbraw/zinc/35/23/20/494352320.db2.gz GPOAUGHYQKWVCF-UHFFFAOYSA-N -1 3 353.447 3.353 20 0 FGADHM CC[C@H](C)Cc1c(C)sc2[n-]c(CC(=O)NC3CCCC3)nc(=O)c12 ZINC000055503347 494353786 /nfs/dbraw/zinc/35/37/86/494353786.db2.gz OHSDYWJUGQFIQK-NSHDSACASA-N -1 3 361.511 3.483 20 0 FGADHM O=C(Nc1ccc(Cl)cc1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000078745748 494354737 /nfs/dbraw/zinc/35/47/37/494354737.db2.gz HGPBFCGAKMJJET-UHFFFAOYSA-N -1 3 359.813 3.036 20 0 FGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc(Br)cc1 ZINC000078776000 494358292 /nfs/dbraw/zinc/35/82/92/494358292.db2.gz OCVFJEAIHMNIGN-UHFFFAOYSA-N -1 3 364.243 3.391 20 0 FGADHM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000055619444 494373866 /nfs/dbraw/zinc/37/38/66/494373866.db2.gz VRMAZKWPWDCYPE-UHFFFAOYSA-N -1 3 363.435 3.436 20 0 FGADHM O=S(=O)([N-]c1ccc(OC[C@H]2CCCO2)cc1)c1ccc(F)cc1 ZINC000055631668 494376721 /nfs/dbraw/zinc/37/67/21/494376721.db2.gz OQOZKXLSINZGAB-MRXNPFEDSA-N -1 3 351.399 3.184 20 0 FGADHM O=C(/C=C/c1cccs1)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000016112344 494377955 /nfs/dbraw/zinc/37/79/55/494377955.db2.gz CYVJEVCVBPBLFJ-BQYQJAHWSA-N -1 3 356.447 3.344 20 0 FGADHM COc1ccc(C(=O)N[C@@H](c2ccccn2)c2ccccc2OC)c([O-])c1 ZINC000089848905 494380944 /nfs/dbraw/zinc/38/09/44/494380944.db2.gz DOBPQJYSSRIXTJ-HXUWFJFHSA-N -1 3 364.401 3.324 20 0 FGADHM C[C@]1(c2ccc(C(F)(F)F)cc2)[N-]C(=O)N(CCC(F)(F)F)C1=O ZINC000073525425 494382888 /nfs/dbraw/zinc/38/28/88/494382888.db2.gz NXSVUEZPYWBFDO-GFCCVEGCSA-N -1 3 354.250 3.425 20 0 FGADHM CCC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(CCOC)cc2)cc1 ZINC000078985615 494388959 /nfs/dbraw/zinc/38/89/59/494388959.db2.gz JFUTZVYGCNUEOA-UHFFFAOYSA-N -1 3 362.451 3.025 20 0 FGADHM Cc1ccc2cccc(NC(=O)c3ccc(F)c([N-]S(C)(=O)=O)c3)c2n1 ZINC000066715574 494394188 /nfs/dbraw/zinc/39/41/88/494394188.db2.gz QFXTXKCHANWTHL-UHFFFAOYSA-N -1 3 373.409 3.306 20 0 FGADHM CSC[C@@H](C)C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000066838794 494420315 /nfs/dbraw/zinc/42/03/15/494420315.db2.gz BUKMSMNRQVVURN-MRVPVSSYSA-N -1 3 370.418 3.015 20 0 FGADHM O=S(=O)([N-]C[C@@H]1CCN(c2ccccc2)C1)c1ccc(F)cc1Cl ZINC000045743657 494456076 /nfs/dbraw/zinc/45/60/76/494456076.db2.gz QUOLUAAOEGKNFV-ZDUSSCGKSA-N -1 3 368.861 3.284 20 0 FGADHM O=S(=O)([N-][C@H](c1ccc(F)cc1)[C@H]1CCCO1)c1cc(F)cc(F)c1 ZINC000056137741 494460231 /nfs/dbraw/zinc/46/02/31/494460231.db2.gz QARLUXSQKHPULW-IAGOWNOFSA-N -1 3 371.380 3.303 20 0 FGADHM CN(C)c1ccc(-c2noc(C(=O)[N-]c3ccc(Cl)c(F)c3)n2)cn1 ZINC000574203842 505719448 /nfs/dbraw/zinc/71/94/48/505719448.db2.gz CRPCSZPJWVLXHE-UHFFFAOYSA-N -1 3 361.764 3.242 20 0 FGADHM O=C(Nc1cc(Cl)ccc1[O-])c1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC000067139048 494482386 /nfs/dbraw/zinc/48/23/86/494482386.db2.gz SBWBQBKYUIYIDU-UHFFFAOYSA-N -1 3 371.780 3.459 20 0 FGADHM Cc1ccc2[n-]cc(C(=O)N3CC[C@@]4(C3)CCc3ccccc3O4)c(=O)c2c1 ZINC000568572891 505725183 /nfs/dbraw/zinc/72/51/83/505725183.db2.gz CKERVKRHWATIHR-HSZRJFAPSA-N -1 3 374.440 3.446 20 0 FGADHM C[C@@]1(c2ccc(NC(=O)c3cc4ccccc4s3)cc2)NC(=O)[N-]C1=O ZINC000046411712 494525660 /nfs/dbraw/zinc/52/56/60/494525660.db2.gz GFQMHQQXOROQLG-IBGZPJMESA-N -1 3 365.414 3.208 20 0 FGADHM COc1cccc(C(=O)N[C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)c1[O-] ZINC000091155283 494541251 /nfs/dbraw/zinc/54/12/51/494541251.db2.gz YMJNVNRQHGJUGP-YOEHRIQHSA-N -1 3 365.788 3.453 20 0 FGADHM C[C@H]1Oc2ccccc2[C@H]1[N-]S(=O)(=O)Cc1cc(Cl)ccc1F ZINC000571410697 505727274 /nfs/dbraw/zinc/72/72/74/505727274.db2.gz KQTQJSIRQKJZTJ-HWPZZCPQSA-N -1 3 355.818 3.421 20 0 FGADHM Cc1nn(-c2ccccc2Cl)c2sc(C(=O)[N-]c3nc[nH]n3)cc12 ZINC000023142489 494552217 /nfs/dbraw/zinc/55/22/17/494552217.db2.gz ANUSRWJKPRZPMH-UHFFFAOYSA-N -1 3 358.814 3.419 20 0 FGADHM O=S(=O)([N-]C1CC1)c1cc(NCc2cccc(F)c2F)ccc1F ZINC000580301797 505727664 /nfs/dbraw/zinc/72/76/64/505727664.db2.gz ZARPGVBRZSNBHU-UHFFFAOYSA-N -1 3 356.369 3.157 20 0 FGADHM Cc1cccc(C(C)C)c1NC(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000046851237 494574329 /nfs/dbraw/zinc/57/43/29/494574329.db2.gz KMIRDJHHXIKWFB-UHFFFAOYSA-N -1 3 355.438 3.376 20 0 FGADHM CCCn1c(=O)[n-]nc1S[C@H](C)C(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC000023763620 494581046 /nfs/dbraw/zinc/58/10/46/494581046.db2.gz PKRSOMCMWZFTPB-NWDGAFQWSA-N -1 3 374.466 3.498 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1)C(C)(C)C ZINC000092309004 494591933 /nfs/dbraw/zinc/59/19/33/494591933.db2.gz ZDXMQJDCVQVOAM-GFCCVEGCSA-N -1 3 374.572 3.166 20 0 FGADHM COC(=O)c1ccc([N-]S(=O)(=O)CCC2Cc3ccccc3C2)cc1 ZINC000577451859 505730049 /nfs/dbraw/zinc/73/00/49/505730049.db2.gz JMKYSCTYVUSEMT-UHFFFAOYSA-N -1 3 359.447 3.020 20 0 FGADHM Cc1nc([C@H]([N-]S(=O)(=O)c2ccccc2)c2ccc(Cl)cc2)no1 ZINC000092335861 494597932 /nfs/dbraw/zinc/59/79/32/494597932.db2.gz GTBJRHIJKSOALG-OAHLLOKOSA-N -1 3 363.826 3.099 20 0 FGADHM COc1ccc([C@H]2[C@@H](C(=O)Nc3ccc(C)cc3[O-])CCC(=O)N2C)cc1 ZINC000115707932 494602280 /nfs/dbraw/zinc/60/22/80/494602280.db2.gz PEQXLZVHOWTUSP-JXFKEZNVSA-N -1 3 368.433 3.257 20 0 FGADHM CC(C)(C)OCc1cccc(CNC(=O)N=c2cc3ccccn3[n-]2)c1 ZINC000571430594 505731541 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ZINC000110788257 495009547 /nfs/dbraw/zinc/00/95/47/495009547.db2.gz XMZRGAHOJSXVBX-MRXNPFEDSA-N -1 3 353.451 3.054 20 0 FGADHM CC[C@@H](Sc1ccccc1)C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000110788257 495009550 /nfs/dbraw/zinc/00/95/50/495009550.db2.gz XMZRGAHOJSXVBX-MRXNPFEDSA-N -1 3 353.451 3.054 20 0 FGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]c1ccc(C)cc1Cl ZINC000127982190 495026102 /nfs/dbraw/zinc/02/61/02/495026102.db2.gz FIESLINSPRQXAM-UHFFFAOYSA-N -1 3 357.790 3.375 20 0 FGADHM Cc1cc(Cl)ncc1[N-]S(=O)(=O)C[C@]12CC[C@H](CC1=O)C2(C)C ZINC000133617401 495036475 /nfs/dbraw/zinc/03/64/75/495036475.db2.gz WSBYKYOSGRDYMZ-BDJLRTHQSA-N -1 3 356.875 3.181 20 0 FGADHM CC(C)COc1cccc(CNC(=O)c2c[n-]c3ccccc3c2=O)c1 ZINC000097728783 495044400 /nfs/dbraw/zinc/04/44/00/495044400.db2.gz VONRTSOXKRJJRI-UHFFFAOYSA-N -1 3 350.418 3.493 20 0 FGADHM O=S(=O)([N-][C@H](c1cccc(Cl)c1)c1ccccn1)c1ccccn1 ZINC000133694226 495047980 /nfs/dbraw/zinc/04/79/80/495047980.db2.gz LHQLLXCXUVOGGW-QGZVFWFLSA-N -1 3 359.838 3.198 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N(C)CCN(C)c3ccccc3)c[n-]c12 ZINC000133865701 495072557 /nfs/dbraw/zinc/07/25/57/495072557.db2.gz WAZGWWBFPJHIKW-UHFFFAOYSA-N -1 3 367.424 3.184 20 0 FGADHM COc1cc2[nH]c(CCCNC(=O)c3ccccc3[O-])cc2c(OC)c1 ZINC000133875788 495073565 /nfs/dbraw/zinc/07/35/65/495073565.db2.gz RKXJYYHWLDKMGM-UHFFFAOYSA-N -1 3 354.406 3.253 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1ccccc1Cl)c1noc(-c2ccccc2)n1 ZINC000128324311 495079773 /nfs/dbraw/zinc/07/97/73/495079773.db2.gz LFPOMBXNKNJEGP-LLVKDONJSA-N -1 3 363.826 3.430 20 0 FGADHM CCCC(=O)Nc1cccc(C[N-]S(=O)(=O)c2cccc(F)c2F)c1 ZINC000101572316 495080424 /nfs/dbraw/zinc/08/04/24/495080424.db2.gz PKCDZXUIFVJSAC-UHFFFAOYSA-N -1 3 368.405 3.182 20 0 FGADHM COc1ccc(C(=O)NCCC(=O)Nc2cccc(Cl)c2C)c([O-])c1 ZINC000101671501 495090470 /nfs/dbraw/zinc/09/04/70/495090470.db2.gz BWMWAGUIAYGAED-UHFFFAOYSA-N -1 3 362.813 3.121 20 0 FGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@@H]3CCCC[C@@H]3CO)s2)cs1 ZINC000134049992 495098513 /nfs/dbraw/zinc/09/85/13/495098513.db2.gz UYQAKMNUFMOAPS-VXGBXAGGSA-N -1 3 372.537 3.009 20 0 FGADHM CSc1cccc(N(C)C(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)c1 ZINC000101869827 495104390 /nfs/dbraw/zinc/10/43/90/495104390.db2.gz VHSMFFCNLWZZHF-UHFFFAOYSA-N -1 3 368.455 3.196 20 0 FGADHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2sccc2OC)C12CCCCC2 ZINC000123308086 495112820 /nfs/dbraw/zinc/11/28/20/495112820.db2.gz JMJISASLHGZMQC-ZIAGYGMSSA-N -1 3 359.513 3.163 20 0 FGADHM Cn1ncc(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)c1-n1cccc1 ZINC000134159078 495114909 /nfs/dbraw/zinc/11/49/09/495114909.db2.gz KLNTWWNGRJQCPH-UHFFFAOYSA-N -1 3 350.300 3.188 20 0 FGADHM COc1ccccc1[C@@H](CNC(=O)c1c([O-])cccc1F)N1CCCC1 ZINC000119248636 495127123 /nfs/dbraw/zinc/12/71/23/495127123.db2.gz ATWBUHLCKKSIIJ-MRXNPFEDSA-N -1 3 358.413 3.107 20 0 FGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)c1oc(Br)cc1C ZINC000134286738 495130648 /nfs/dbraw/zinc/13/06/48/495130648.db2.gz CKFRBVADHUEPEP-UHFFFAOYSA-N -1 3 371.187 3.330 20 0 FGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)Cc1nc(-c2ccco2)oc1C ZINC000134288754 495130706 /nfs/dbraw/zinc/13/07/06/495130706.db2.gz FKRULITZOBACJA-UHFFFAOYSA-N -1 3 373.365 3.151 20 0 FGADHM COc1cccc([C@@H](CNC(=O)c2c([O-])cccc2F)N2CCCC2)c1 ZINC000119283739 495133781 /nfs/dbraw/zinc/13/37/81/495133781.db2.gz VDXPOPZGIXDGED-QGZVFWFLSA-N -1 3 358.413 3.107 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)c1ccc(OC)c(Cl)c1)c1c(C)noc1C ZINC000119316253 495140698 /nfs/dbraw/zinc/14/06/98/495140698.db2.gz PQMXUGLSSXNJSW-ZDUSSCGKSA-N -1 3 358.847 3.383 20 0 FGADHM CC(C)C1CCC(NC(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)CC1 ZINC000119330327 495143971 /nfs/dbraw/zinc/14/39/71/495143971.db2.gz LFASCTZOAXMCAB-UHFFFAOYSA-N -1 3 356.463 3.142 20 0 FGADHM COC(=O)CCc1nnc([N-]C(=O)c2oc3c(cccc3C)c2C)s1 ZINC000134419840 495146881 /nfs/dbraw/zinc/14/68/81/495146881.db2.gz VELHANYTGHZAOC-UHFFFAOYSA-N -1 3 359.407 3.259 20 0 FGADHM CCOC(=O)c1ccsc1[N-]C(=O)C(=O)N(C)[C@H]1CCCC[C@H]1CC ZINC000128902930 495165954 /nfs/dbraw/zinc/16/59/54/495165954.db2.gz VMXYGFILBHQECT-OCCSQVGLSA-N -1 3 366.483 3.291 20 0 FGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccc(OC(C)C)nc2)c1 ZINC000112361528 495179758 /nfs/dbraw/zinc/17/97/58/495179758.db2.gz ZBBZFUDZYAIXJM-UHFFFAOYSA-N -1 3 370.858 3.009 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]Cc2ccccc2F)sc1Br ZINC000123803198 495188948 /nfs/dbraw/zinc/18/89/48/495188948.db2.gz DXZVZCWKFSMYAI-UHFFFAOYSA-N -1 3 364.261 3.437 20 0 FGADHM Cn1ccnc1-c1cc(NC(=O)Cc2ccc(Cl)cc2Cl)n[n-]1 ZINC000119595063 495197802 /nfs/dbraw/zinc/19/78/02/495197802.db2.gz CCXTXDMGOOBVSP-UHFFFAOYSA-N -1 3 350.209 3.298 20 0 FGADHM Cn1ccnc1-c1cc(NC(=O)Cc2ccc(Cl)cc2Cl)[n-]n1 ZINC000119595063 495197810 /nfs/dbraw/zinc/19/78/10/495197810.db2.gz CCXTXDMGOOBVSP-UHFFFAOYSA-N -1 3 350.209 3.298 20 0 FGADHM O=c1[n-]c(CN2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)nc2ccsc21 ZINC000134811266 495204230 /nfs/dbraw/zinc/20/42/30/495204230.db2.gz OBUDUPQRIGRNKT-GOEBONIOSA-N -1 3 373.453 3.212 20 0 FGADHM CC(=O)N[C@H](CC(=O)Nc1cccc([O-])c1F)c1ccc(F)cc1F ZINC000129159053 495205054 /nfs/dbraw/zinc/20/50/54/495205054.db2.gz LVBUCEBLCMBYJJ-CQSZACIVSA-N -1 3 352.312 3.016 20 0 FGADHM C[C@@H](NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)c1ccccn1 ZINC000112626299 495212897 /nfs/dbraw/zinc/21/28/97/495212897.db2.gz YMDAIIJFAZPYSF-SNVBAGLBSA-N -1 3 372.222 3.177 20 0 FGADHM CC(C)[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cncc(Br)c1 ZINC000112674511 495221499 /nfs/dbraw/zinc/22/14/99/495221499.db2.gz UOTSKGDYNRBYNF-ZIAGYGMSSA-N -1 3 361.305 3.337 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)OC(C)(C)C ZINC000129308364 495226847 /nfs/dbraw/zinc/22/68/47/495226847.db2.gz MVAGFMGNMQSQJA-QMMMGPOBSA-N -1 3 354.255 3.002 20 0 FGADHM Cc1csc(C2([N-]S(=O)(=O)c3ccc(F)cc3F)CCCC2)n1 ZINC000112707248 495227189 /nfs/dbraw/zinc/22/71/89/495227189.db2.gz XMLHSWBBHKMUJA-UHFFFAOYSA-N -1 3 358.435 3.478 20 0 FGADHM Cc1cc(F)cc(NC(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)c1 ZINC000135042868 495243324 /nfs/dbraw/zinc/24/33/24/495243324.db2.gz 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ZINC000568757072 505771636 /nfs/dbraw/zinc/77/16/36/505771636.db2.gz HHYCPLNAXOXXNF-ZWNOBZJWSA-N -1 3 374.890 3.164 20 0 FGADHM O=C(Nc1cc(C2CCCC2)[nH]n1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000129674962 495278636 /nfs/dbraw/zinc/27/86/36/495278636.db2.gz CNXZMEFKLZLUEW-MRXNPFEDSA-N -1 3 368.437 3.016 20 0 FGADHM CSC1(C[N-]S(=O)(=O)c2cccc(Br)c2Cl)CC1 ZINC000568773436 505774162 /nfs/dbraw/zinc/77/41/62/505774162.db2.gz WRNNMNMWISLHKK-UHFFFAOYSA-N -1 3 370.721 3.276 20 0 FGADHM Cc1ccc(C[C@@H]2CCCN2C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)cc1 ZINC000113366204 495299660 /nfs/dbraw/zinc/29/96/60/495299660.db2.gz BVVUUGLQMBRWCF-INIZCTEOSA-N -1 3 363.417 3.118 20 0 FGADHM Cc1coc(-c2cc(NC(=O)c3ccc4c(c3)C(=O)[N-]C4=O)ccc2C)n1 ZINC000129883519 495309849 /nfs/dbraw/zinc/30/98/49/495309849.db2.gz FMXZDWXLOLAMOV-UHFFFAOYSA-N -1 3 361.357 3.094 20 0 FGADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)[C@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000135567401 495312486 /nfs/dbraw/zinc/31/24/86/495312486.db2.gz QJQGLSMANAEYHT-CVEARBPZSA-N -1 3 353.813 3.186 20 0 FGADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)[C@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000135567401 495312491 /nfs/dbraw/zinc/31/24/91/495312491.db2.gz QJQGLSMANAEYHT-CVEARBPZSA-N -1 3 353.813 3.186 20 0 FGADHM Cc1nc(-c2ccccc2)ccc1C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000135574568 495313327 /nfs/dbraw/zinc/31/33/27/495313327.db2.gz BLZJWPDLCVPEJD-UHFFFAOYSA-N -1 3 370.416 3.413 20 0 FGADHM Cc1nc(-c2ccccc2)ccc1C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000135574568 495313329 /nfs/dbraw/zinc/31/33/29/495313329.db2.gz BLZJWPDLCVPEJD-UHFFFAOYSA-N -1 3 370.416 3.413 20 0 FGADHM CCSc1ccc([C@H](C)NC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)cc1 ZINC000104900186 495313414 /nfs/dbraw/zinc/31/34/14/495313414.db2.gz YEQLWRHFVTUEGG-NSHDSACASA-N -1 3 354.431 3.173 20 0 FGADHM Cc1c([O-])ccc2c(CN(C)[C@H]3CCCc4c3cnn4C)cc(=O)oc12 ZINC000135650848 495323515 /nfs/dbraw/zinc/32/35/15/495323515.db2.gz IYMMXGZQMOXGNU-INIZCTEOSA-N -1 3 353.422 3.050 20 0 FGADHM CC[C@@]1(C)C[C@H]1C(=O)Nc1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1F ZINC000135851244 495338434 /nfs/dbraw/zinc/33/84/34/495338434.db2.gz XVJWVGUJWKEAIN-QFYYESIMSA-N -1 3 374.865 3.295 20 0 FGADHM CC[C@@]1(C)C[C@@H]1C(=O)Nc1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1F ZINC000135851169 495338576 /nfs/dbraw/zinc/33/85/76/495338576.db2.gz XVJWVGUJWKEAIN-HWPZZCPQSA-N -1 3 374.865 3.295 20 0 FGADHM Cc1ccc([N-]S(=O)(=O)c2cccc3ncccc32)c(CN(C)C)c1 ZINC000114054155 495347070 /nfs/dbraw/zinc/34/70/70/495347070.db2.gz XQQZOMQWMJIMET-UHFFFAOYSA-N -1 3 355.463 3.406 20 0 FGADHM O=C(Cc1ccc([O-])cc1Cl)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000136095290 495356156 /nfs/dbraw/zinc/35/61/56/495356156.db2.gz YXAONGPRSLXFRW-OAHLLOKOSA-N -1 3 372.852 3.465 20 0 FGADHM CC(C)(CNC(=O)Cc1ccc([O-])cc1Cl)c1ccc2c(c1)OCO2 ZINC000136229979 495366358 /nfs/dbraw/zinc/36/63/58/495366358.db2.gz XVAFHNVMXOYWHI-UHFFFAOYSA-N -1 3 361.825 3.411 20 0 FGADHM O=C(c1cccc([O-])c1)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000120444869 495380733 /nfs/dbraw/zinc/38/07/33/495380733.db2.gz RRVOQXDOQZHXQY-UHFFFAOYSA-N -1 3 364.367 3.369 20 0 FGADHM O=C(NCC1(c2ccccc2Cl)CCOCC1)c1ccc2n[n-]nc2c1 ZINC000106061153 495408601 /nfs/dbraw/zinc/40/86/01/495408601.db2.gz HUYQPLHYFUQHOU-UHFFFAOYSA-N -1 3 370.840 3.090 20 0 FGADHM CN(CC(=O)Nc1ccc([O-])c(C(F)(F)F)c1)C(=O)c1cccs1 ZINC000125261161 495415158 /nfs/dbraw/zinc/41/51/58/495415158.db2.gz VHXKMMLGWQDVGD-UHFFFAOYSA-N -1 3 358.341 3.183 20 0 FGADHM C[C@H](CC(=O)Nc1ccc(Cc2nnn[n-]2)cc1)Cc1cccc(F)c1 ZINC000120605986 495415804 /nfs/dbraw/zinc/41/58/04/495415804.db2.gz NOVLOICNFGNMEW-ZDUSSCGKSA-N -1 3 353.401 3.137 20 0 FGADHM C[C@H](CC(=O)Nc1ccc(Cc2nn[n-]n2)cc1)Cc1cccc(F)c1 ZINC000120605986 495415809 /nfs/dbraw/zinc/41/58/09/495415809.db2.gz NOVLOICNFGNMEW-ZDUSSCGKSA-N -1 3 353.401 3.137 20 0 FGADHM O=C(COc1ccc(Cl)cc1)CSc1n[n-]c(-c2ccccn2)n1 ZINC000120687316 495435584 /nfs/dbraw/zinc/43/55/84/495435584.db2.gz BMSHCLLVNDHSKG-UHFFFAOYSA-N -1 3 360.826 3.260 20 0 FGADHM COCCC1(C[N-]S(=O)(=O)c2ccccc2C(F)(F)F)CCC1 ZINC000125384832 495436048 /nfs/dbraw/zinc/43/60/48/495436048.db2.gz TYSALZPSSSTMQL-UHFFFAOYSA-N -1 3 351.390 3.191 20 0 FGADHM CCc1ncsc1C(=O)Nc1cccc(-c2nc(CC)cc(=O)[n-]2)c1 ZINC000137485532 495442602 /nfs/dbraw/zinc/44/26/02/495442602.db2.gz XNDQTQNUAWMKPZ-UHFFFAOYSA-N -1 3 354.435 3.271 20 0 FGADHM Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)C1 ZINC000120784533 495457285 /nfs/dbraw/zinc/45/72/85/495457285.db2.gz HYLLGURBOZPNBM-ZIAGYGMSSA-N -1 3 363.417 3.289 20 0 FGADHM CCCS(=O)(=O)[N-]c1ccc(C(=O)N2CCc3cccc(C)c32)cc1 ZINC000130867422 495459297 /nfs/dbraw/zinc/45/92/97/495459297.db2.gz IYADIYKVLDUYHP-UHFFFAOYSA-N -1 3 358.463 3.350 20 0 FGADHM CCc1cc(=O)[n-]c(CSCC(=O)N[C@@H](C)c2ccc(C)c(C)c2)n1 ZINC000125617997 495471726 /nfs/dbraw/zinc/47/17/26/495471726.db2.gz WFQOFGITGAJUOV-AWEZNQCLSA-N -1 3 359.495 3.472 20 0 FGADHM Cc1nn(C)c2ncc(S(=O)(=O)[N-]c3cc(C)ccc3Cl)cc12 ZINC000131006324 495478370 /nfs/dbraw/zinc/47/83/70/495478370.db2.gz KJKCJGKOFVSYGD-UHFFFAOYSA-N -1 3 350.831 3.039 20 0 FGADHM CC(C)Cc1ncc(CN2CCN(C(=O)c3ccc([O-])cc3)CC2)s1 ZINC000131018403 495479611 /nfs/dbraw/zinc/47/96/11/495479611.db2.gz RPCJBSAYBYEMBM-UHFFFAOYSA-N -1 3 359.495 3.005 20 0 FGADHM O=C(c1ccc([O-])cc1)N1CCN(CCSc2ccccc2F)CC1 ZINC000131035657 495482847 /nfs/dbraw/zinc/48/28/47/495482847.db2.gz XFYDMRFOSIVRMT-UHFFFAOYSA-N -1 3 360.454 3.081 20 0 FGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)[C@H](C)OC2CCCCCC2)c1 ZINC000131037018 495483437 /nfs/dbraw/zinc/48/34/37/495483437.db2.gz JQRIJAFWZXVUJF-AWEZNQCLSA-N -1 3 368.499 3.433 20 0 FGADHM CC[C@H](c1nnc([N-]C(=O)c2ccc(C(N)=O)s2)s1)c1ccccc1 ZINC000106719821 495489349 /nfs/dbraw/zinc/48/93/49/495489349.db2.gz JLLMIKPBXWNGCQ-NSHDSACASA-N -1 3 372.475 3.493 20 0 FGADHM O=C(NCc1ccc(Cn2cnc3ccccc32)cc1)c1c([O-])cccc1O ZINC000125747635 495492220 /nfs/dbraw/zinc/49/22/20/495492220.db2.gz GFTISTBMIGFEFL-UHFFFAOYSA-N -1 3 373.412 3.426 20 0 FGADHM Cc1cccc(C(=O)Nc2cccn(Cc3ccc(F)cc3)c2=O)c1[O-] ZINC000120969331 495493816 /nfs/dbraw/zinc/49/38/16/495493816.db2.gz CMBFSKUNSCPHTK-UHFFFAOYSA-N -1 3 352.365 3.302 20 0 FGADHM CC(C)(C)CCS(=O)(=O)[N-]Cc1nc(-c2cccc(Cl)c2)no1 ZINC000115584307 495519889 /nfs/dbraw/zinc/51/98/89/495519889.db2.gz SUWYNCZEOWDFDM-UHFFFAOYSA-N -1 3 357.863 3.246 20 0 FGADHM CCn1c2ccccc2nc1[C@@H]1CCCN1C(=O)c1ccc2n[n-]nc2c1 ZINC000170634499 495541240 /nfs/dbraw/zinc/54/12/40/495541240.db2.gz SIBWRCRHOOLLRV-SFHVURJKSA-N -1 3 360.421 3.305 20 0 FGADHM COC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc(SC)cc1)c1cccs1 ZINC000145299411 495554887 /nfs/dbraw/zinc/55/48/87/495554887.db2.gz UCXDGUUMJIXKFW-CYBMUJFWSA-N -1 3 371.505 3.053 20 0 FGADHM O=C(Nc1ccc(OCc2noc(C3CC3)n2)cc1)c1cccc([O-])c1 ZINC000182419087 495556821 /nfs/dbraw/zinc/55/68/21/495556821.db2.gz VDVHDGFQEODTEW-UHFFFAOYSA-N -1 3 351.362 3.484 20 0 FGADHM O=C(NCc1ccc(C(F)F)cc1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000185410559 495566845 /nfs/dbraw/zinc/56/68/45/495566845.db2.gz DIFBAPFLZDQVEG-INIZCTEOSA-N -1 3 374.387 3.251 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCC2CCC(C)CC2)c1 ZINC000185434077 495575923 /nfs/dbraw/zinc/57/59/23/495575923.db2.gz NFAZZTHSODIQRE-UHFFFAOYSA-N -1 3 371.437 3.497 20 0 FGADHM O=C(Nc1ccnn1[C@H]1CCCc2ccccc21)c1ccc2n[n-]nc2c1 ZINC000170769264 495596244 /nfs/dbraw/zinc/59/62/44/495596244.db2.gz POLYCSIFTGBDDR-SFHVURJKSA-N -1 3 358.405 3.332 20 0 FGADHM O=C(Nc1cc(Cl)ccc1[O-])[C@@H]1CCCCN1C(=O)c1cccnc1 ZINC000179458472 495598985 /nfs/dbraw/zinc/59/89/85/495598985.db2.gz XCBFZLRJKPYYSQ-HNNXBMFYSA-N -1 3 359.813 3.074 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H]3CCC[C@H]32)c1 ZINC000179519641 495626128 /nfs/dbraw/zinc/62/61/28/495626128.db2.gz CMEBRLMGCKRDPL-CXAGYDPISA-N -1 3 369.421 3.346 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H]3CCC[C@@H]32)c1 ZINC000179519620 495626667 /nfs/dbraw/zinc/62/66/67/495626667.db2.gz CMEBRLMGCKRDPL-DYVFJYSZSA-N -1 3 369.421 3.346 20 0 FGADHM Cc1ccc([O-])c(C(=O)N2CCCC[C@@H]2CNC(=O)c2ccccc2)c1 ZINC000173638543 495627262 /nfs/dbraw/zinc/62/72/62/495627262.db2.gz MMCFCAZOHSFQTR-QGZVFWFLSA-N -1 3 352.434 3.125 20 0 FGADHM Cc1cccc([O-])c1NC(=O)CNC(=O)c1ccc(C(F)(F)F)cc1 ZINC000179560956 495641695 /nfs/dbraw/zinc/64/16/95/495641695.db2.gz WBMBFKDMGUEQTK-UHFFFAOYSA-N -1 3 352.312 3.088 20 0 FGADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)Cc1ccccc1 ZINC000170899979 495647862 /nfs/dbraw/zinc/64/78/62/495647862.db2.gz WKYADSHYPFWJPI-UHFFFAOYSA-N -1 3 372.368 3.258 20 0 FGADHM O=C(Cc1cc2ccccc2[nH]c1=O)Nc1cc(Br)ccc1[O-] ZINC000176429984 495648936 /nfs/dbraw/zinc/64/89/36/495648936.db2.gz AHXGVAVATVIBQC-UHFFFAOYSA-N -1 3 373.206 3.177 20 0 FGADHM CC(C)(C)c1noc(CCC(=O)Nc2cc(Br)ccc2[O-])n1 ZINC000176432591 495649949 /nfs/dbraw/zinc/64/99/49/495649949.db2.gz RHRBZPAVKXVFDW-UHFFFAOYSA-N -1 3 368.231 3.407 20 0 FGADHM Cc1nc(-c2cccc([N-]S(=O)(=O)C[C@H]3CCCCO3)c2)cs1 ZINC000150839176 495651847 /nfs/dbraw/zinc/65/18/47/495651847.db2.gz TZKUNMWOHWXECX-OAHLLOKOSA-N -1 3 352.481 3.429 20 0 FGADHM CC[C@H](C(=O)Nc1cccc([C@]2(C)NC(=O)[N-]C2=O)c1)c1ccc(F)cc1 ZINC000159098600 495657409 /nfs/dbraw/zinc/65/74/09/495657409.db2.gz NGSSGYQVBLVWAC-JXFKEZNVSA-N -1 3 369.396 3.013 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CC[C@@H](C)[C@H](C)C2)c1 ZINC000185648635 495661481 /nfs/dbraw/zinc/66/14/81/495661481.db2.gz JMNXXEBEIRXKIL-YRGRVCCFSA-N -1 3 371.437 3.495 20 0 FGADHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccccc2C[S@@](C)=O)c(C)c1 ZINC000185651300 495663501 /nfs/dbraw/zinc/66/35/01/495663501.db2.gz BZRGAKVTOAPBKQ-JOCHJYFZSA-N -1 3 351.493 3.291 20 0 FGADHM CC1(CNC(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)CCCC1 ZINC000170997853 495682201 /nfs/dbraw/zinc/68/22/01/495682201.db2.gz RASLOXBFRCLQEY-UHFFFAOYSA-N -1 3 359.470 3.333 20 0 FGADHM CCCCNC(=O)[C@H]1CCCN(C(=O)c2ccc3c(c2[O-])CCCC3)C1 ZINC000185697216 495684941 /nfs/dbraw/zinc/68/49/41/495684941.db2.gz LXCBYWQJAKBJRA-INIZCTEOSA-N -1 3 358.482 3.040 20 0 FGADHM Cc1cc(C(=O)[N-]c2nnc(C(F)(F)F)s2)nn1-c1ccc(F)cc1 ZINC000182765789 495693768 /nfs/dbraw/zinc/69/37/68/495693768.db2.gz MIWJWFCQWFLXSR-UHFFFAOYSA-N -1 3 371.319 3.442 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)c1c(C)nn(CC(C)C)c1C)c1c(C)noc1C ZINC000182778186 495699489 /nfs/dbraw/zinc/69/94/89/495699489.db2.gz PSUJMPDCUSMMMA-HNNXBMFYSA-N -1 3 368.503 3.190 20 0 FGADHM COc1cc(OC)cc(S(=O)(=O)[N-][C@@H](C2CCCC2)C(F)(F)F)c1 ZINC000182791127 495703526 /nfs/dbraw/zinc/70/35/26/495703526.db2.gz NARMEKSISAUPBP-AWEZNQCLSA-N -1 3 367.389 3.103 20 0 FGADHM C[C@H](Cc1ccccc1Br)NC(=O)c1ccc2n[n-]nc2c1 ZINC000154848805 495748650 /nfs/dbraw/zinc/74/86/50/495748650.db2.gz CGWQJJXLERKGDR-SNVBAGLBSA-N -1 3 359.227 3.081 20 0 FGADHM O=S(=O)([N-]c1cc(F)c(F)cc1Cl)c1ccc2c(c1)OCCO2 ZINC000176725388 495763415 /nfs/dbraw/zinc/76/34/15/495763415.db2.gz MAGHKMPJMKAJKZ-UHFFFAOYSA-N -1 3 361.753 3.190 20 0 FGADHM O=C(Nc1ccccc1[O-])C1CCN(C(=O)c2cccc(F)c2F)CC1 ZINC000151256461 495786007 /nfs/dbraw/zinc/78/60/07/495786007.db2.gz QAVSYAQUQJDJOA-UHFFFAOYSA-N -1 3 360.360 3.161 20 0 FGADHM COc1nnc(NC(=O)c2sc(-c3ccco3)nc2-c2ccccc2)[n-]1 ZINC000182988534 495787155 /nfs/dbraw/zinc/78/71/55/495787155.db2.gz PDIPNAAOKKXQKP-UHFFFAOYSA-N -1 3 367.390 3.449 20 0 FGADHM COc1n[n-]c(NC(=O)c2sc(-c3ccco3)nc2-c2ccccc2)n1 ZINC000182988534 495787164 /nfs/dbraw/zinc/78/71/64/495787164.db2.gz PDIPNAAOKKXQKP-UHFFFAOYSA-N -1 3 367.390 3.449 20 0 FGADHM COc1nc(NC(=O)c2sc(-c3ccco3)nc2-c2ccccc2)n[n-]1 ZINC000182988534 495787165 /nfs/dbraw/zinc/78/71/65/495787165.db2.gz PDIPNAAOKKXQKP-UHFFFAOYSA-N -1 3 367.390 3.449 20 0 FGADHM Cc1cc(C(=O)[N-]c2nnc(C(F)F)s2)nn1-c1ccc(F)cc1 ZINC000179953050 495798625 /nfs/dbraw/zinc/79/86/25/495798625.db2.gz BVMFQYYBIACDAL-UHFFFAOYSA-N -1 3 353.329 3.361 20 0 FGADHM O=C(N=c1cc2ccccn2[n-]1)[C@@H]1CCn2c(cnc2C2CCCCC2)C1 ZINC000577848019 505804222 /nfs/dbraw/zinc/80/42/22/505804222.db2.gz SQZWGKLDJQYFIL-MRXNPFEDSA-N -1 3 363.465 3.202 20 0 FGADHM Cc1nnc(SCC(=O)Nc2c(C)cccc2[O-])n1Cc1ccccc1 ZINC000183017488 495800565 /nfs/dbraw/zinc/80/05/65/495800565.db2.gz UXKRURNMPGXHAF-UHFFFAOYSA-N -1 3 368.462 3.380 20 0 FGADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@H]2CC23CCCCC3)cc1Cl ZINC000179992058 495813597 /nfs/dbraw/zinc/81/35/97/495813597.db2.gz RZESGVGJNZSGFW-HNNXBMFYSA-N -1 3 374.865 3.439 20 0 FGADHM Cc1ccccc1NC(=O)[C@H](C)N1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000574572199 505805630 /nfs/dbraw/zinc/80/56/30/505805630.db2.gz ZXALUCWTAGAZHD-JQHSSLGASA-N -1 3 352.434 3.122 20 0 FGADHM O=S(=O)([N-]C1(c2noc(CC3CCCC3)n2)CCCCCC1)C1CC1 ZINC000155068362 495823834 /nfs/dbraw/zinc/82/38/34/495823834.db2.gz XGMCDXMYKRUEHD-UHFFFAOYSA-N -1 3 367.515 3.434 20 0 FGADHM CCN(CC(=O)Nc1c(C)cccc1C)C(=O)c1cccc(OC)c1[O-] ZINC000174121297 495827280 /nfs/dbraw/zinc/82/72/80/495827280.db2.gz LBXCRDMTFRQNGO-UHFFFAOYSA-N -1 3 356.422 3.118 20 0 FGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]CCC1=CCCCCC1 ZINC000186031548 495828193 /nfs/dbraw/zinc/82/81/93/495828193.db2.gz GUKHSQADGFIHHC-UHFFFAOYSA-N -1 3 355.431 3.171 20 0 FGADHM CCOC(=O)c1nnc([N-]C(=O)c2ccc(F)c(C(F)(F)F)c2)s1 ZINC000155089660 495830998 /nfs/dbraw/zinc/83/09/98/495830998.db2.gz QCAVBABUUBRVHB-UHFFFAOYSA-N -1 3 363.292 3.125 20 0 FGADHM O=S(=O)([N-]Cc1ccccc1F)c1cc(F)ccc1Br ZINC000155087552 495831548 /nfs/dbraw/zinc/83/15/48/495831548.db2.gz DHOKSGYNYMTROR-UHFFFAOYSA-N -1 3 362.195 3.206 20 0 FGADHM Cc1nc(C)c(S(=O)(=O)[N-][C@@H](C)c2ncc(-c3ccccc3)o2)s1 ZINC000176934520 495847226 /nfs/dbraw/zinc/84/72/26/495847226.db2.gz KUZPRNDPIHZMFM-JTQLQIEISA-N -1 3 363.464 3.454 20 0 FGADHM Cc1ccc(C)c([C@H]2CN(C(=O)c3cccc4[n-]nnc43)[C@H](C)CO2)c1 ZINC000180077094 495848131 /nfs/dbraw/zinc/84/81/31/495848131.db2.gz BVVIQQOKKPPKHG-RDTXWAMCSA-N -1 3 350.422 3.177 20 0 FGADHM Cc1ccc(C)c([C@H]2CN(C(=O)c3cccc4nn[n-]c43)[C@H](C)CO2)c1 ZINC000180077094 495848135 /nfs/dbraw/zinc/84/81/35/495848135.db2.gz BVVIQQOKKPPKHG-RDTXWAMCSA-N -1 3 350.422 3.177 20 0 FGADHM Cc1ccc(C)c([C@H]2CN(C(=O)c3cccc4n[n-]nc43)[C@H](C)CO2)c1 ZINC000180077094 495848137 /nfs/dbraw/zinc/84/81/37/495848137.db2.gz BVVIQQOKKPPKHG-RDTXWAMCSA-N -1 3 350.422 3.177 20 0 FGADHM CC(C)C(=O)N(C)Cc1ccc(C(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000174208711 495863920 /nfs/dbraw/zinc/86/39/20/495863920.db2.gz BVULYEYRSYKYRQ-UHFFFAOYSA-N -1 3 358.413 3.076 20 0 FGADHM CC(C)Oc1cncc(C(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000151527294 495867781 /nfs/dbraw/zinc/86/77/81/495867781.db2.gz MLTLLFRALRRXNV-UHFFFAOYSA-N -1 3 365.227 3.267 20 0 FGADHM CC(C)n1cnnc1[C@H]1CCCN(C(=O)c2ccc3c(c2[O-])CCCC3)C1 ZINC000186183956 495887866 /nfs/dbraw/zinc/88/78/66/495887866.db2.gz KPTVEXWRAYNBAG-INIZCTEOSA-N -1 3 368.481 3.463 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3nnc(CC(C)C)s3)c[n-]c12 ZINC000155256771 495893916 /nfs/dbraw/zinc/89/39/16/495893916.db2.gz SBPKHPPFPBJIPL-UHFFFAOYSA-N -1 3 360.414 3.278 20 0 FGADHM O=C(c1ccc(Cl)cc1F)N1CCN(Cc2cc([O-])cc(F)c2)CC1 ZINC000186209983 495896793 /nfs/dbraw/zinc/89/67/93/495896793.db2.gz ANVSBAHZYYGYAG-UHFFFAOYSA-N -1 3 366.795 3.282 20 0 FGADHM Cc1noc(C)c1CCC(=O)NCc1ccc([O-])c(Br)c1 ZINC000151641849 495903504 /nfs/dbraw/zinc/90/35/04/495903504.db2.gz CXLWSGQZVMXVKR-UHFFFAOYSA-N -1 3 353.216 3.009 20 0 FGADHM O=S(=O)([N-][C@H]1CCN(c2ccc(F)c(Cl)c2)C1)c1cccs1 ZINC000183259065 495903710 /nfs/dbraw/zinc/90/37/10/495903710.db2.gz JBWZDCRMSPGUTG-JTQLQIEISA-N -1 3 360.863 3.098 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)NC[C@@H](C)Oc3ccccc3)c[n-]c12 ZINC000151675115 495914742 /nfs/dbraw/zinc/91/47/42/495914742.db2.gz PCGCINKBAJSIRN-CYBMUJFWSA-N -1 3 354.381 3.173 20 0 FGADHM Cc1c(C(=O)Nc2ccc([O-])cc2F)nnn1-c1ccc(F)c(Cl)c1 ZINC000183284503 495915899 /nfs/dbraw/zinc/91/58/99/495915899.db2.gz SBVREHPDOHJJKW-UHFFFAOYSA-N -1 3 364.739 3.465 20 0 FGADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N3CCCC[C@@H]3C)cs2)c1 ZINC000183304256 495922492 /nfs/dbraw/zinc/92/24/92/495922492.db2.gz HGOXAXJRDJEZJT-ZDUSSCGKSA-N -1 3 373.478 3.353 20 0 FGADHM CC(C)c1cnc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])s1 ZINC000174391929 495938939 /nfs/dbraw/zinc/93/89/39/495938939.db2.gz ZSVQCGXBXWQFJQ-CYBMUJFWSA-N -1 3 359.451 3.215 20 0 FGADHM NC(=O)CCSc1ccccc1[N-]C(=O)c1occc1Br ZINC000177142825 495945241 /nfs/dbraw/zinc/94/52/41/495945241.db2.gz RECDBXKTTJOVNL-UHFFFAOYSA-N -1 3 369.240 3.262 20 0 FGADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]CCC2CCCC2)cc1Cl ZINC000171629343 495955030 /nfs/dbraw/zinc/95/50/30/495955030.db2.gz ZKVXVLZWCYCYOD-UHFFFAOYSA-N -1 3 362.854 3.296 20 0 FGADHM CC[C@H]1CCC[C@H]1NC(=O)Cc1csc(NC(=O)c2cccc([O-])c2)n1 ZINC000155479365 495969299 /nfs/dbraw/zinc/96/92/99/495969299.db2.gz IDZJVOGCPPUIDH-BLLLJJGKSA-N -1 3 373.478 3.338 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C=Cc3cccc(O)c3)c2)n1 ZINC000183421846 495975709 /nfs/dbraw/zinc/97/57/09/495975709.db2.gz XHJRXRPBVOAMLU-MDZDMXLPSA-N -1 3 361.401 3.357 20 0 FGADHM O=C(Nc1ncccc1[O-])c1ccc(S(=O)(=O)Cc2ccccc2)cc1 ZINC000155534563 495987345 /nfs/dbraw/zinc/98/73/45/495987345.db2.gz ZLNOQRNBYDCJMR-UHFFFAOYSA-N -1 3 368.414 3.013 20 0 FGADHM O=C1NCCN(Cc2cc([O-])cc(F)c2)[C@H]1c1ccccc1C(F)(F)F ZINC000186413366 495988794 /nfs/dbraw/zinc/98/87/94/495988794.db2.gz KAHFGAXCWGNBCL-INIZCTEOSA-N -1 3 368.330 3.223 20 0 FGADHM Cn1cnc(-c2ccc(C(=O)Nc3cc(C(F)(F)F)ccc3[O-])cc2)n1 ZINC000183460142 495994859 /nfs/dbraw/zinc/99/48/59/495994859.db2.gz BWMLVWOOCYFTIM-UHFFFAOYSA-N -1 3 362.311 3.459 20 0 FGADHM CC(C)(C)c1nnc([N-]C(=O)c2cc(N3CCCC3=O)ccc2F)s1 ZINC000151933496 495997361 /nfs/dbraw/zinc/99/73/61/495997361.db2.gz PYJYFYVRRZLQQY-UHFFFAOYSA-N -1 3 362.430 3.354 20 0 FGADHM O=C(Cc1csc(-c2ccccn2)n1)N1CCCc2cccc([O-])c21 ZINC000155683232 496034525 /nfs/dbraw/zinc/03/45/25/496034525.db2.gz KWJITAFYRFEIRH-UHFFFAOYSA-N -1 3 351.431 3.433 20 0 FGADHM C[C@H]1C[C@H](C(=O)N2CCN(C(=O)c3cccc([O-])c3)CC2)CC(C)(C)C1 ZINC000183583606 496039795 /nfs/dbraw/zinc/03/97/95/496039795.db2.gz LOCPETQFTUFNCO-RDJZCZTQSA-N -1 3 358.482 3.139 20 0 FGADHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N(CC(C)C)CC(C)C ZINC000174685333 496062330 /nfs/dbraw/zinc/06/23/30/496062330.db2.gz DFPQBKRHTYDSSE-UHFFFAOYSA-N -1 3 368.499 3.312 20 0 FGADHM COC(=O)c1ccsc1[N-]C(=O)C(=O)N(CC1CCCCC1)C1CC1 ZINC000174757579 496092971 /nfs/dbraw/zinc/09/29/71/496092971.db2.gz GCIGZBNVTYYENL-UHFFFAOYSA-N -1 3 364.467 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FGADHM Cc1ccc2c(ncc(C(=O)[O-])c2NC[C@@H](c2ccco2)N(C)C)c1C ZINC000580895579 505862812 /nfs/dbraw/zinc/86/28/12/505862812.db2.gz VQXSSWKGXQZIOP-INIZCTEOSA-N -1 3 353.422 3.280 20 0 FGADHM CCOC1CC(CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000188295411 496744176 /nfs/dbraw/zinc/74/41/76/496744176.db2.gz KXEHDNJHCPHKMY-UHFFFAOYSA-N -1 3 352.283 3.477 20 0 FGADHM Cc1c2ccccc2oc1[C@H](C)NC(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000191389403 496746197 /nfs/dbraw/zinc/74/61/97/496746197.db2.gz AOFPPFWUBYYGJV-ZDUSSCGKSA-N -1 3 353.422 3.251 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N[C@H]3CCOc4c(F)cccc43)c[n-]c12 ZINC000191421437 496757152 /nfs/dbraw/zinc/75/71/52/496757152.db2.gz RKSIASXWBSZVFE-INIZCTEOSA-N -1 3 370.355 3.368 20 0 FGADHM CCC1CCN(C(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])CC1 ZINC000273281747 496762522 /nfs/dbraw/zinc/76/25/22/496762522.db2.gz GVFKEWATJFZCID-UHFFFAOYSA-N -1 3 357.410 3.203 20 0 FGADHM C[C@@H]1CN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])CC[S@@](=O)C1 ZINC000277433217 496771285 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CCc1ccc(C(=O)Nc2ccc(N3C(=O)CCC3=O)c(C)c2)c([O-])c1 ZINC000191606397 496829692 /nfs/dbraw/zinc/82/96/92/496829692.db2.gz UCKCTCLVVFGEAW-UHFFFAOYSA-N -1 3 352.390 3.169 20 0 FGADHM CCc1ccc(C(=O)N2CCN(c3ccc(F)cc3OC)CC2)c([O-])c1 ZINC000191667275 496850315 /nfs/dbraw/zinc/85/03/15/496850315.db2.gz PLXQGSXLCSFMKL-UHFFFAOYSA-N -1 3 358.413 3.065 20 0 FGADHM O=S(=O)([N-][C@H]1CCOC2(CCC2)C1)c1ccc(F)cc1C(F)(F)F ZINC000269022696 496851163 /nfs/dbraw/zinc/85/11/63/496851163.db2.gz ZHWJIMRXHUGKEF-NSHDSACASA-N -1 3 367.364 3.225 20 0 FGADHM CC(C)Cc1nnc([N-]C(=O)c2cn(-c3cccc(Cl)c3)nn2)s1 ZINC000188646715 496863573 /nfs/dbraw/zinc/86/35/73/496863573.db2.gz HXCPQBUCSYFHPI-UHFFFAOYSA-N -1 3 362.846 3.223 20 0 FGADHM COC(=O)C[C@H]([N-]S(=O)(=O)c1ccco1)c1ccc(C(C)(C)C)cc1 ZINC000188703688 496882401 /nfs/dbraw/zinc/88/24/01/496882401.db2.gz ZBJUNQBOVVNDCJ-HNNXBMFYSA-N -1 3 365.451 3.160 20 0 FGADHM Cc1cccc(C(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)c1F ZINC000269179057 496887081 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Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)[C@H]2CCOC2)cc1 ZINC000247874940 496923773 /nfs/dbraw/zinc/92/37/73/496923773.db2.gz NRRFDSOFOQPDNG-HNNXBMFYSA-N -1 3 374.462 3.079 20 0 FGADHM CCn1c(C)cc(C(=O)Nc2n[n-]c(-c3ccc(OC)cc3OC)n2)c1C ZINC000195456761 496928321 /nfs/dbraw/zinc/92/83/21/496928321.db2.gz TZZCZOOPODBYPT-UHFFFAOYSA-N -1 3 369.425 3.179 20 0 FGADHM CCCCN1CCC([N-]S(=O)(=O)c2cc(C)c(Cl)s2)CC1 ZINC000191913933 496929950 /nfs/dbraw/zinc/92/99/50/496929950.db2.gz SSKYJMVFCXGEPY-UHFFFAOYSA-N -1 3 350.937 3.253 20 0 FGADHM CCOc1cc(C(=O)N(C)[C@@H](C)C2CCN(C)CC2)cc(Cl)c1[O-] ZINC000273845826 496930489 /nfs/dbraw/zinc/93/04/89/496930489.db2.gz KMDBVAKNQOMXFM-LBPRGKRZSA-N -1 3 354.878 3.247 20 0 FGADHM CCC(CC)(CO)CNC(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000188889624 496938062 /nfs/dbraw/zinc/93/80/62/496938062.db2.gz BGRQOCYBCVAPEK-UHFFFAOYSA-N -1 3 355.434 3.152 20 0 FGADHM O=S(=O)([N-][C@@H]1CCC[C@H]1CCO)c1ccc(Cl)cc1C(F)(F)F ZINC000188899398 496940551 /nfs/dbraw/zinc/94/05/51/496940551.db2.gz HDDIYQJCFVKRCN-JOYOIKCWSA-N -1 3 371.808 3.188 20 0 FGADHM CC(C)(C)CCOc1cnccc1CNC(=O)c1ccc2n[n-]nc2c1 ZINC000578158693 505875082 /nfs/dbraw/zinc/87/50/82/505875082.db2.gz IIBWIUZZNNYNTA-UHFFFAOYSA-N -1 3 353.426 3.098 20 0 FGADHM CC[C@@H](NC(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1)[C@H]1CCCO1 ZINC000188914985 496945687 /nfs/dbraw/zinc/94/56/87/496945687.db2.gz JZIVEPVBFCLYJX-RTBURBONSA-N -1 3 353.418 3.311 20 0 FGADHM CC(C)(C)c1ccc(C2(CNC(=O)C(=O)[N-]c3cnns3)CCC2)cc1 ZINC000192006310 496960205 /nfs/dbraw/zinc/96/02/05/496960205.db2.gz DLAIIMRXBIIDCV-UHFFFAOYSA-N -1 3 372.494 3.012 20 0 FGADHM COCCOc1ccc(Cc2noc(-c3cc(OC)ccc3[O-])n2)cc1 ZINC000273925921 496960444 /nfs/dbraw/zinc/96/04/44/496960444.db2.gz IHACANNYCFOXKD-UHFFFAOYSA-N -1 3 356.378 3.067 20 0 FGADHM Cc1nc(C)c(CCC(=O)N2CCC(Cc3ccccc3F)CC2)c(=O)[n-]1 ZINC000264676989 496960509 /nfs/dbraw/zinc/96/05/09/496960509.db2.gz AXSPQKBZOUBDQV-UHFFFAOYSA-N -1 3 371.456 3.352 20 0 FGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H]1[C@@H]2Cc3ccccc3[C@H]12 ZINC000574892813 505877132 /nfs/dbraw/zinc/87/71/32/505877132.db2.gz BFAHRSGOEIPMEH-DAYGRLMNSA-N -1 3 363.866 3.213 20 0 FGADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@H]3CCc4cccc(O)c43)cc2)n1 ZINC000574894800 505877332 /nfs/dbraw/zinc/87/73/32/505877332.db2.gz NCVPSGZCMYNJOX-INIZCTEOSA-N -1 3 361.401 3.119 20 0 FGADHM O=C1[N-][C@@H](Cc2cc(Cl)cc(Cl)c2)C(=O)N1OCCC(F)(F)F ZINC000278047132 496984862 /nfs/dbraw/zinc/98/48/62/496984862.db2.gz XWOQUCUFSZHTKL-JTQLQIEISA-N -1 3 371.142 3.340 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)c3sc(CC4CC4)nc3C)[n-]c21 ZINC000189040015 496987883 /nfs/dbraw/zinc/98/78/83/496987883.db2.gz IVNJDCMLCVMLHT-UHFFFAOYSA-N -1 3 370.434 3.319 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3sc(CC4CC4)nc3C)nc21 ZINC000189040015 496987887 /nfs/dbraw/zinc/98/78/87/496987887.db2.gz IVNJDCMLCVMLHT-UHFFFAOYSA-N -1 3 370.434 3.319 20 0 FGADHM CCOC(=O)COc1ccc(NC(=O)c2cn[n-]c2-c2ccsc2)cc1 ZINC000189078486 497000139 /nfs/dbraw/zinc/00/01/39/497000139.db2.gz JINFHUFXXNWKLV-UHFFFAOYSA-N -1 3 371.418 3.332 20 0 FGADHM CCOC(=O)COc1ccc(NC(=O)c2c[n-]nc2-c2ccsc2)cc1 ZINC000189078486 497000141 /nfs/dbraw/zinc/00/01/41/497000141.db2.gz JINFHUFXXNWKLV-UHFFFAOYSA-N -1 3 371.418 3.332 20 0 FGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)C[C@H]1CCc2ccccc2C1 ZINC000264951165 497017113 /nfs/dbraw/zinc/01/71/13/497017113.db2.gz VIIJKLHWZVYTNC-AWEZNQCLSA-N -1 3 358.463 3.192 20 0 FGADHM CC1CCN(c2ccc(-n3c([O-])c(CC(F)(F)F)[nH]c3=O)cc2)CC1 ZINC000278138105 497017224 /nfs/dbraw/zinc/01/72/24/497017224.db2.gz RRDBCSCOPMXKHU-CQSZACIVSA-N -1 3 355.360 3.300 20 0 FGADHM COc1ccc([C@H](NC(=O)c2cc(OC)c([O-])c(OC)c2)C2CC2)cc1 ZINC000269905312 497021604 /nfs/dbraw/zinc/02/16/04/497021604.db2.gz FIEVMCWSAOVYKJ-GOSISDBHSA-N -1 3 357.406 3.299 20 0 FGADHM Cc1cc(C)n2nc(C(=O)[N-]c3nc4c(cccc4Cl)s3)nc2n1 ZINC000192174164 497022429 /nfs/dbraw/zinc/02/24/29/497022429.db2.gz VMGJFZRCLAICIU-UHFFFAOYSA-N -1 3 358.814 3.257 20 0 FGADHM Cc1ccc(C2CC2)c(C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000569214956 505880350 /nfs/dbraw/zinc/88/03/50/505880350.db2.gz ZWAGXKKEDFMPCS-UHFFFAOYSA-N -1 3 364.445 3.176 20 0 FGADHM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3cccc(F)c3Cl)ccc21 ZINC000580974500 505880637 /nfs/dbraw/zinc/88/06/37/505880637.db2.gz ATKVNZOHKRGJFU-UHFFFAOYSA-N -1 3 368.817 3.189 20 0 FGADHM O=C(NC[C@@H]1CCN(CC(F)(F)F)C1)c1cc([O-])ccc1C(F)(F)F ZINC000189200307 497042125 /nfs/dbraw/zinc/04/21/25/497042125.db2.gz QYGSVYLLDHTWDM-VIFPVBQESA-N -1 3 370.293 3.025 20 0 FGADHM CN(C)C(=O)c1ccc(-c2noc(-c3ccc4c(c3[O-])CCCC4)n2)cn1 ZINC000274209399 497042192 /nfs/dbraw/zinc/04/21/92/497042192.db2.gz SJDAOCORBQLPDO-UHFFFAOYSA-N -1 3 364.405 3.085 20 0 FGADHM Cc1nc(-c2ccc(NC(=O)c3cn[n-]c3-c3ccsc3)cc2)n[nH]1 ZINC000189202909 497043138 /nfs/dbraw/zinc/04/31/38/497043138.db2.gz RGNFGZISVGTVKC-UHFFFAOYSA-N -1 3 350.407 3.484 20 0 FGADHM Cc1nc(-c2ccc(NC(=O)c3c[n-]nc3-c3ccsc3)cc2)n[nH]1 ZINC000189202909 497043144 /nfs/dbraw/zinc/04/31/44/497043144.db2.gz RGNFGZISVGTVKC-UHFFFAOYSA-N -1 3 350.407 3.484 20 0 FGADHM Cc1nc(C)c(CCC(=O)N(Cc2ccco2)Cc2ccco2)c(=O)[n-]1 ZINC000274224984 497044868 /nfs/dbraw/zinc/04/48/68/497044868.db2.gz QUGHRXSNOPXULA-UHFFFAOYSA-N -1 3 355.394 3.147 20 0 FGADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1ccccc1OC[C@H]1CCCCO1 ZINC000274223364 497045204 /nfs/dbraw/zinc/04/52/04/497045204.db2.gz QURGPIDLZRBFTB-RHSMWYFYSA-N -1 3 350.415 3.214 20 0 FGADHM O=C([N-]O[C@@H]1CCCCO1)Nc1ccccc1OC[C@H]1CCCCO1 ZINC000274223364 497045210 /nfs/dbraw/zinc/04/52/10/497045210.db2.gz QURGPIDLZRBFTB-RHSMWYFYSA-N -1 3 350.415 3.214 20 0 FGADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1ccc(OCC2CCOCC2)cc1 ZINC000274243176 497050309 /nfs/dbraw/zinc/05/03/09/497050309.db2.gz UVZRXHQWBLXMBA-QGZVFWFLSA-N -1 3 350.415 3.072 20 0 FGADHM O=C([N-]O[C@@H]1CCCCO1)Nc1ccc(OCC2CCOCC2)cc1 ZINC000274243176 497050315 /nfs/dbraw/zinc/05/03/15/497050315.db2.gz UVZRXHQWBLXMBA-QGZVFWFLSA-N -1 3 350.415 3.072 20 0 FGADHM CCS[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000225359098 497060783 /nfs/dbraw/zinc/06/07/83/497060783.db2.gz UOORMYPLJDMSAL-RKDXNWHRSA-N -1 3 370.359 3.463 20 0 FGADHM Cc1cc([N-]C(=O)[C@@H](C)Nc2cccc3c2CN(c2ccccn2)C3)on1 ZINC000270159841 497069293 /nfs/dbraw/zinc/06/92/93/497069293.db2.gz YFYYCWQZKOGCNS-CQSZACIVSA-N -1 3 363.421 3.337 20 0 FGADHM Cn1ccnc1C[C@@H]1CCCN(C(=O)c2cc([O-])ccc2C(F)(F)F)C1 ZINC000189310692 497077199 /nfs/dbraw/zinc/07/71/99/497077199.db2.gz VCVTVZVWTJQAHB-LBPRGKRZSA-N -1 3 367.371 3.239 20 0 FGADHM C[C@@H]1CN(c2ccnc(C(=O)Nc3cc(Cl)ccc3[O-])c2)C[C@H](C)O1 ZINC000189332440 497083830 /nfs/dbraw/zinc/08/38/30/497083830.db2.gz BCAAWVIUJMYPIG-TXEJJXNPSA-N -1 3 361.829 3.307 20 0 FGADHM CCOC[C@H]([N-]S(=O)(=O)c1cc(C)c(Br)s1)C(C)C ZINC000233784633 497112248 /nfs/dbraw/zinc/11/22/48/497112248.db2.gz VFYFEVRBVWYSMY-JTQLQIEISA-N -1 3 370.334 3.158 20 0 FGADHM CSc1nc(C)c(CCC(=O)Nc2cc(C)cc(CN(C)C)c2)c(=O)[n-]1 ZINC000270405869 497121801 /nfs/dbraw/zinc/12/18/01/497121801.db2.gz XSMZQHAGNKFZNF-UHFFFAOYSA-N -1 3 374.510 3.154 20 0 FGADHM COc1cc(-c2noc(CN(CCc3ccccc3)C(C)=O)n2)ccc1[O-] ZINC000270472223 497135388 /nfs/dbraw/zinc/13/53/88/497135388.db2.gz GOXBKQCQEMEBCZ-UHFFFAOYSA-N -1 3 367.405 3.042 20 0 FGADHM CCCOc1ccc(S(=O)(=O)[N-]c2cccc([S@@](C)=O)c2)cc1 ZINC000265607302 497147249 /nfs/dbraw/zinc/14/72/49/497147249.db2.gz VZPNBSVAWXYTJF-JOCHJYFZSA-N -1 3 353.465 3.014 20 0 FGADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCCN(C(=O)c3cccc(Cl)c3)CC2)n1 ZINC000192552718 497147337 /nfs/dbraw/zinc/14/73/37/497147337.db2.gz IMOQKDQFWJDUKP-CQSZACIVSA-N -1 3 374.872 3.053 20 0 FGADHM Cc1ccc(CS(=O)(=O)[N-][C@H](c2ccccc2)[C@@H]2CCCO2)c(F)c1 ZINC000192585693 497156369 /nfs/dbraw/zinc/15/63/69/497156369.db2.gz WCJIOZABUOHDLJ-RBUKOAKNSA-N -1 3 363.454 3.474 20 0 FGADHM CCN(CC1CCN(c2ccccn2)CC1)[C@@H](C)c1nc(C)cc(=O)[n-]1 ZINC000192607506 497162623 /nfs/dbraw/zinc/16/26/23/497162623.db2.gz PQKDHPGWJIYERT-INIZCTEOSA-N -1 3 355.486 3.185 20 0 FGADHM COC(=O)CCCc1nnc([N-]C(=O)c2csc(C(C)(C)C)n2)s1 ZINC000265733742 497172038 /nfs/dbraw/zinc/17/20/38/497172038.db2.gz SSMFTBWWMQCWJG-UHFFFAOYSA-N -1 3 368.484 3.040 20 0 FGADHM COCC1([N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)F)CCCC1 ZINC000569260816 505891465 /nfs/dbraw/zinc/89/14/65/505891465.db2.gz WGXQDVLOIFVZRJ-UHFFFAOYSA-N -1 3 369.817 3.179 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-][C@H](CN(C)C)c2ccc(Cl)cc2)c(F)c1 ZINC000569261555 505891474 /nfs/dbraw/zinc/89/14/74/505891474.db2.gz LHYWUUMMHJUTHT-MRXNPFEDSA-N -1 3 370.877 3.369 20 0 FGADHM COc1cc(C(=O)NCCc2c[nH]c3cc(C)ccc23)cc(OC)c1[O-] ZINC000270725901 497189302 /nfs/dbraw/zinc/18/93/02/497189302.db2.gz SLGOUPLBHOGOHG-UHFFFAOYSA-N -1 3 354.406 3.172 20 0 FGADHM Cc1cc(=O)[n-]c([C@H](C)N2CCO[C@H](c3ccc(F)cc3Cl)C2)n1 ZINC000192790832 497214791 /nfs/dbraw/zinc/21/47/91/497214791.db2.gz QQBINRREYLYPCZ-NHYWBVRUSA-N -1 3 351.809 3.418 20 0 FGADHM Cc1noc([C@H]2CCCN([C@@H](C(=O)[O-])c3ccccc3C(F)(F)F)C2)n1 ZINC000581016887 505891980 /nfs/dbraw/zinc/89/19/80/505891980.db2.gz KHGGLLOUOPTGRU-SMDDNHRTSA-N -1 3 369.343 3.402 20 0 FGADHM CCn1nccc1C1CCN(Cc2cc(=O)oc3cc([O-])ccc23)CC1 ZINC000278813330 497228869 /nfs/dbraw/zinc/22/88/69/497228869.db2.gz GWWMCHDSANWEJU-UHFFFAOYSA-N -1 3 353.422 3.095 20 0 FGADHM C[C@H](C(=O)NCCCCCC(=O)[O-])N1CCC(Cc2ccccc2)CC1 ZINC000237406287 497232186 /nfs/dbraw/zinc/23/21/86/497232186.db2.gz AWKWHAUDSZTETC-QGZVFWFLSA-N -1 3 360.498 3.091 20 0 FGADHM C[C@@H](c1ccccc1Cl)N1CCN(C(=O)c2cccc3[n-]nnc32)CC1 ZINC000189774981 497240771 /nfs/dbraw/zinc/24/07/71/497240771.db2.gz JXYNQELXFBRTCJ-ZDUSSCGKSA-N -1 3 369.856 3.130 20 0 FGADHM C[C@@H](c1ccccc1Cl)N1CCN(C(=O)c2cccc3nn[n-]c32)CC1 ZINC000189774981 497240776 /nfs/dbraw/zinc/24/07/76/497240776.db2.gz JXYNQELXFBRTCJ-ZDUSSCGKSA-N -1 3 369.856 3.130 20 0 FGADHM C[C@@H](c1ccccc1Cl)N1CCN(C(=O)c2cccc3n[n-]nc32)CC1 ZINC000189774981 497240783 /nfs/dbraw/zinc/24/07/83/497240783.db2.gz JXYNQELXFBRTCJ-ZDUSSCGKSA-N -1 3 369.856 3.130 20 0 FGADHM C[C@@H](C(=O)NC1CCC(C(=O)[O-])CC1)N1CCC(Cc2ccccc2)CC1 ZINC000237479699 497243283 /nfs/dbraw/zinc/24/32/83/497243283.db2.gz RGCMXGHEWMTVIU-DZIBYMRMSA-N -1 3 372.509 3.089 20 0 FGADHM Cc1c([C@@H](C)NC(=O)c2cccc3nn[n-]c32)cnn1-c1ccc(F)cc1 ZINC000189823972 497256992 /nfs/dbraw/zinc/25/69/92/497256992.db2.gz XBGIPFRCGIKFDN-LLVKDONJSA-N -1 3 364.384 3.082 20 0 FGADHM Cc1c([C@@H](C)NC(=O)c2cccc3[n-]nnc32)cnn1-c1ccc(F)cc1 ZINC000189823972 497256996 /nfs/dbraw/zinc/25/69/96/497256996.db2.gz XBGIPFRCGIKFDN-LLVKDONJSA-N -1 3 364.384 3.082 20 0 FGADHM Cc1c([C@@H](C)NC(=O)c2cccc3n[n-]nc32)cnn1-c1ccc(F)cc1 ZINC000189823972 497256999 /nfs/dbraw/zinc/25/69/99/497256999.db2.gz XBGIPFRCGIKFDN-LLVKDONJSA-N -1 3 364.384 3.082 20 0 FGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)[C@H]2C[C@H]2c2ccc(F)cc2)c1 ZINC000266156725 497269225 /nfs/dbraw/zinc/26/92/25/497269225.db2.gz JVPWUMNECBWACC-GJZGRUSLSA-N -1 3 362.426 3.248 20 0 FGADHM COC(=O)C1(CS(=O)(=O)[N-]c2c(F)cc(Cl)cc2F)CCCC1 ZINC000569278710 505895581 /nfs/dbraw/zinc/89/55/81/505895581.db2.gz FAVYGDDHYZKJLO-UHFFFAOYSA-N -1 3 367.801 3.093 20 0 FGADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@H](C)c2ccccn2)s1 ZINC000266208776 497280932 /nfs/dbraw/zinc/28/09/32/497280932.db2.gz MSKPEGCFBBTREY-SECBINFHSA-N -1 3 361.286 3.254 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]Cc2c(C)noc2C)c(Cl)c1Cl ZINC000266216514 497282077 /nfs/dbraw/zinc/28/20/77/497282077.db2.gz VZIMVAFEEHNUFQ-UHFFFAOYSA-N -1 3 365.238 3.085 20 0 FGADHM CC[C@](C)(C(=O)[O-])N(Cc1ccc(S(=O)(=O)C(C)C)cc1)CC1CC1 ZINC000578248662 505897640 /nfs/dbraw/zinc/89/76/40/505897640.db2.gz OTNPEEFPQZHIJL-LJQANCHMSA-N -1 3 367.511 3.334 20 0 FGADHM COc1ccc(C(=O)N2CCC[C@H]2Cn2c(C)nc3ccccc32)c([O-])c1 ZINC000271373007 497331540 /nfs/dbraw/zinc/33/15/40/497331540.db2.gz GGYDLHVTVUBFLO-HNNXBMFYSA-N -1 3 365.433 3.364 20 0 FGADHM COc1ccc([O-])c(C(=O)N2CCC(OCc3ccccc3OC)CC2)c1 ZINC000271390051 497336571 /nfs/dbraw/zinc/33/65/71/497336571.db2.gz IUUNOMUTKHSISH-UHFFFAOYSA-N -1 3 371.433 3.231 20 0 FGADHM CCCCS(=O)(=O)Cc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000193264494 497337314 /nfs/dbraw/zinc/33/73/14/497337314.db2.gz QLRNURQZYNJIJQ-UHFFFAOYSA-N -1 3 362.476 3.367 20 0 FGADHM Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)c1cccc2nn[n-]c21 ZINC000569299795 505900206 /nfs/dbraw/zinc/90/02/06/505900206.db2.gz NNTINSVUKNGBFI-UHFFFAOYSA-N -1 3 358.814 3.326 20 0 FGADHM Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)c1cccc2[n-]nnc21 ZINC000569299795 505900208 /nfs/dbraw/zinc/90/02/08/505900208.db2.gz NNTINSVUKNGBFI-UHFFFAOYSA-N -1 3 358.814 3.326 20 0 FGADHM Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)c1cccc2n[n-]nc21 ZINC000569299795 505900210 /nfs/dbraw/zinc/90/02/10/505900210.db2.gz NNTINSVUKNGBFI-UHFFFAOYSA-N -1 3 358.814 3.326 20 0 FGADHM Cc1nc(C)c(CCC(=O)N2C[C@@H](C)C[C@@H]2c2ccccc2F)c(=O)[n-]1 ZINC000266492607 497356590 /nfs/dbraw/zinc/35/65/90/497356590.db2.gz QRORSAILTCMAQV-KPZWWZAWSA-N -1 3 357.429 3.480 20 0 FGADHM CS(=O)(=O)[N-]c1cc(NC(=O)C/C=C\c2cccc(F)c2)ccc1F ZINC000255428601 497367435 /nfs/dbraw/zinc/36/74/35/497367435.db2.gz INOAFDWMNLJPDD-HYXAFXHYSA-N -1 3 366.389 3.378 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCc2ccccc2C)c1 ZINC000193464173 497386646 /nfs/dbraw/zinc/38/66/46/497386646.db2.gz RPKUVDDHIMYQDH-UHFFFAOYSA-N -1 3 365.389 3.179 20 0 FGADHM O=C([O-])c1cnc2ccccc2c1NCCCN1CCc2ccccc2C1 ZINC000581073866 505904552 /nfs/dbraw/zinc/90/45/52/505904552.db2.gz IJYTXLWEVYXSKE-UHFFFAOYSA-N -1 3 361.445 3.215 20 0 FGADHM O=C(NC[C@H](CO)c1ccccc1)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000190228631 497407208 /nfs/dbraw/zinc/40/72/08/497407208.db2.gz WRKASAGDDSJNSD-GFCCVEGCSA-N -1 3 361.854 3.298 20 0 FGADHM O=C(N[C@H]1CCO[C@@]2(CCSC2)C1)c1cc([O-])ccc1C(F)(F)F ZINC000193600012 497424781 /nfs/dbraw/zinc/42/47/81/497424781.db2.gz YMEADAXUMFIYQW-BONVTDFDSA-N -1 3 361.385 3.196 20 0 FGADHM CC(C)CC(=O)N1CCC(NC(=O)c2cc([O-])c3ccccc3c2)CC1 ZINC000279482713 497450490 /nfs/dbraw/zinc/45/04/90/497450490.db2.gz ILTFKRBGOYLBNU-UHFFFAOYSA-N -1 3 354.450 3.312 20 0 FGADHM O=S(=O)([N-]Cc1noc(-c2ccccc2)n1)c1cc(F)ccc1Cl ZINC000193705760 497453320 /nfs/dbraw/zinc/45/33/20/497453320.db2.gz NEEDCZLGMABAES-UHFFFAOYSA-N -1 3 367.789 3.008 20 0 FGADHM CCOC(=O)CC1CCN(C(=O)c2cc([O-])ccc2C(F)(F)F)CC1 ZINC000279538423 497467211 /nfs/dbraw/zinc/46/72/11/497467211.db2.gz AHIWPQPHBFJODV-UHFFFAOYSA-N -1 3 359.344 3.216 20 0 FGADHM C[C@@H](NC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)[C@H](C)c1ccccc1 ZINC000267007969 497468367 /nfs/dbraw/zinc/46/83/67/497468367.db2.gz NMYCHHMMVHLIIZ-QWHCGFSZSA-N -1 3 364.442 3.119 20 0 FGADHM C[C@H]1CCCc2nc(S(=O)(=O)[N-]Cc3ccccc3C(F)(F)F)cn21 ZINC000569331882 505909853 /nfs/dbraw/zinc/90/98/53/505909853.db2.gz DWSUVXJAQSEUCY-NSHDSACASA-N -1 3 373.400 3.278 20 0 FGADHM CN1CC[C@@H]([N-]S(=O)(=O)c2ccc(Cl)s2)[C@H]1c1ccccc1 ZINC000245649891 497488243 /nfs/dbraw/zinc/48/82/43/497488243.db2.gz MQLGHHFFHHUMCE-IUODEOHRSA-N -1 3 356.900 3.125 20 0 FGADHM O=C(c1cc([O-])ccc1C(F)(F)F)N1CCSC2(CCOCC2)C1 ZINC000193854675 497502211 /nfs/dbraw/zinc/50/22/11/497502211.db2.gz FJYWWIYRVFFIKO-UHFFFAOYSA-N -1 3 361.385 3.149 20 0 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/nfs/dbraw/zinc/71/80/11/497718011.db2.gz CJOSQSKCHONTKQ-RHSMWYFYSA-N -1 3 365.788 3.453 20 0 FGADHM Cc1nc(CCNCc2ccc(F)c(Br)c2)sc1C(=O)[O-] ZINC000277057331 497728919 /nfs/dbraw/zinc/72/89/19/497728919.db2.gz TVIMQWUVRLQXIF-UHFFFAOYSA-N -1 3 373.247 3.384 20 0 FGADHM COc1cccc(C[C@H](NCc2sccc2Br)C(=O)[O-])c1 ZINC000277108398 497744345 /nfs/dbraw/zinc/74/43/45/497744345.db2.gz AFBFUTBJGOLVIX-ZDUSSCGKSA-N -1 3 370.268 3.305 20 0 FGADHM Cc1ccc(-c2ncc(CN[C@@H](CN3CCCCC3)C(=O)[O-])s2)cc1 ZINC000277123200 497748592 /nfs/dbraw/zinc/74/85/92/497748592.db2.gz BBRKUSGENRZSOK-KRWDZBQOSA-N -1 3 359.495 3.147 20 0 FGADHM CCOc1ccc(S(=O)(=O)[N-]c2cc3c(cc2Cl)CCC3=O)cn1 ZINC000191229709 497750940 /nfs/dbraw/zinc/75/09/40/497750940.db2.gz QUZQVVFBPZFUTB-UHFFFAOYSA-N -1 3 366.826 3.063 20 0 FGADHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(NC(C)=O)c2C)c(C)c1 ZINC000194727873 497752180 /nfs/dbraw/zinc/75/21/80/497752180.db2.gz QPEBAOVTSHXWRH-UHFFFAOYSA-N -1 3 362.451 3.461 20 0 FGADHM COCc1nc(S[C@H](C)C(=O)N[C@H](C)c2cccc3ccccc32)n[n-]1 ZINC000268453567 497754608 /nfs/dbraw/zinc/75/46/08/497754608.db2.gz BIDDIQQFUDFRCJ-CHWSQXEVSA-N -1 3 370.478 3.462 20 0 FGADHM COCc1nc(S[C@@H](C(=O)N2CCCc3ccccc32)C(C)C)n[n-]1 ZINC000268483024 497762236 /nfs/dbraw/zinc/76/22/36/497762236.db2.gz LPJNRLLVTSCTBA-MRXNPFEDSA-N -1 3 360.483 3.047 20 0 FGADHM CCOC(=O)N1CCc2c(sc3[n-]c(-c4cccc(F)n4)nc(=O)c23)C1 ZINC000272924804 497763133 /nfs/dbraw/zinc/76/31/33/497763133.db2.gz MGAYMLFOFBORKV-UHFFFAOYSA-N -1 3 374.397 3.113 20 0 FGADHM COc1ccc(NC(=O)[C@H](c2ccccc2)N2C[C@@H](C)[C@H](C(=O)[O-])C2)cc1 ZINC000263362790 497767187 /nfs/dbraw/zinc/76/71/87/497767187.db2.gz SILHXCKVPUBGBL-ZMYBRWDISA-N -1 3 368.433 3.028 20 0 FGADHM CC(=O)NCCN(Cc1ccc(Sc2ccccc2)cc1)[C@@H](C)C(=O)[O-] ZINC000263396322 497775773 /nfs/dbraw/zinc/77/57/73/497775773.db2.gz GSMCLMVTSKBMMW-HNNXBMFYSA-N -1 3 372.490 3.249 20 0 FGADHM CC(C)N(C)c1ccc(CN=c2nc(-c3ccccc3Cl)[n-]n2C)cn1 ZINC000569417216 505929016 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FGADHM O=C(c1cccc([O-])c1)N1CCN(Cc2nc(Cl)ccc2Cl)CC1 ZINC000273176928 497806956 /nfs/dbraw/zinc/80/69/56/497806956.db2.gz HKNDCFWHLCOKPL-UHFFFAOYSA-N -1 3 366.248 3.052 20 0 FGADHM CC(C)CC[C@@H]1CCC[C@H]1NC(=O)c1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000246805641 497812315 /nfs/dbraw/zinc/81/23/15/497812315.db2.gz KAKISIVQCXFVCP-OXTHUFEASA-N -1 3 371.481 3.076 20 0 FGADHM Cc1cc(C(=O)N(C)[C@H](C)Cc2ccccc2C(F)(F)F)[n-]c(=O)n1 ZINC000288548108 497827507 /nfs/dbraw/zinc/82/75/07/497827507.db2.gz DSTOWCFSNIAVLB-LLVKDONJSA-N -1 3 353.344 3.213 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)NCc3noc4c3CCCC4)c[n-]c12 ZINC000288577105 497835170 /nfs/dbraw/zinc/83/51/70/497835170.db2.gz LSQFYGLQEUGLPQ-UHFFFAOYSA-N -1 3 355.369 3.185 20 0 FGADHM CCCc1nc(C)c(C[N-]S(=O)(=O)c2c[nH]c3cccc(F)c32)o1 ZINC000292012956 497839193 /nfs/dbraw/zinc/83/91/93/497839193.db2.gz MWQXKMKLWTXNGO-UHFFFAOYSA-N -1 3 351.403 3.034 20 0 FGADHM CS(=O)(=O)[N-]c1cc(C(=O)N2CCC[C@H]2c2ccsc2)ccc1F ZINC000299564924 497848805 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499098646 /nfs/dbraw/zinc/09/86/46/499098646.db2.gz VRCMYLQAZMFKCP-CAYVGHNUSA-N -1 3 355.438 3.438 20 0 FGADHM CC(C)(O)CON=C([O-])Nc1cc(Br)cc(C(F)(F)F)c1 ZINC000284482732 499114998 /nfs/dbraw/zinc/11/49/98/499114998.db2.gz BBKSFCLJWUPJNB-UHFFFAOYSA-N -1 3 371.153 3.292 20 0 FGADHM CC(C)(O)CO[N-]C(=O)Nc1cc(Br)cc(C(F)(F)F)c1 ZINC000284482732 499115001 /nfs/dbraw/zinc/11/50/01/499115001.db2.gz BBKSFCLJWUPJNB-UHFFFAOYSA-N -1 3 371.153 3.292 20 0 FGADHM COc1ccc([O-])c(C(=O)N2CCOC[C@@H]2c2nc3ccccc3s2)c1 ZINC000367048940 499139714 /nfs/dbraw/zinc/13/97/14/499139714.db2.gz APBBVYCMPOFYQK-OAHLLOKOSA-N -1 3 370.430 3.224 20 0 FGADHM Cc1c(C(=O)Nc2cccc(-c3nc(C)cc(=O)[n-]3)c2)sc2nccn12 ZINC000367096969 499148185 /nfs/dbraw/zinc/14/81/85/499148185.db2.gz UPZCGWFYSRLYPJ-UHFFFAOYSA-N -1 3 365.418 3.428 20 0 FGADHM CC(C)c1nccn1[C@H]1CCCN(C(=O)c2cc(=O)c3ccccc3[n-]2)C1 ZINC000369936555 499154274 /nfs/dbraw/zinc/15/42/74/499154274.db2.gz QKRLJNTWKYDYHR-HNNXBMFYSA-N -1 3 364.449 3.325 20 0 FGADHM 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/nfs/dbraw/zinc/22/04/97/499220497.db2.gz WCBYCMLYUZQGSI-FQEVSTJZSA-N -1 3 357.429 3.137 20 0 FGADHM O=C(/C=C/c1cncc([O-])c1)N1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000367714587 499227543 /nfs/dbraw/zinc/22/75/43/499227543.db2.gz CUCLCXWIEHDWHZ-WAVCKPEOSA-N -1 3 354.410 3.205 20 0 FGADHM Cc1ccc([C@@H]2CCCN(C(=O)CCc3c(C)nc(C)[n-]c3=O)C2)cc1 ZINC000370800932 499255501 /nfs/dbraw/zinc/25/55/01/499255501.db2.gz IWKFLXSTDRXDIR-GOSISDBHSA-N -1 3 353.466 3.446 20 0 FGADHM O=C(CCn1c2ccccc2nc1C1CC1)Nc1nnc(-c2ccco2)[n-]1 ZINC000576367656 506141089 /nfs/dbraw/zinc/14/10/89/506141089.db2.gz UKBJAXCCQZHAPD-UHFFFAOYSA-N -1 3 362.393 3.321 20 0 FGADHM O=C(CCn1c2ccccc2nc1C1CC1)Nc1nc(-c2ccco2)n[n-]1 ZINC000576367656 506141091 /nfs/dbraw/zinc/14/10/91/506141091.db2.gz UKBJAXCCQZHAPD-UHFFFAOYSA-N -1 3 362.393 3.321 20 0 FGADHM O=C(CCn1c2ccccc2nc1C1CC1)Nc1n[n-]c(-c2ccco2)n1 ZINC000576367656 506141096 /nfs/dbraw/zinc/14/10/96/506141096.db2.gz UKBJAXCCQZHAPD-UHFFFAOYSA-N -1 3 362.393 3.321 20 0 FGADHM CCc1nc(CN2CCCN(C(=O)c3cccc(C)c3[O-])CC2)cs1 ZINC000370868207 499264611 /nfs/dbraw/zinc/26/46/11/499264611.db2.gz MTLPUEUDLXBSFY-UHFFFAOYSA-N -1 3 359.495 3.068 20 0 FGADHM CC(=O)N1C[C@H](CCC(=O)[N-]OCc2ccc(F)cc2)c2ccccc21 ZINC000368361435 499288865 /nfs/dbraw/zinc/28/88/65/499288865.db2.gz MSZVDLGWNLVHFL-INIZCTEOSA-N -1 3 356.397 3.304 20 0 FGADHM COc1cccc(C(=O)N2CCC[C@@H](n3cnc4ccccc43)C2)c1[O-] ZINC000368366412 499289323 /nfs/dbraw/zinc/28/93/23/499289323.db2.gz CNHQPVTVMUHGKC-CQSZACIVSA-N -1 3 351.406 3.228 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)N1CC[C@H](n2cc3ccccc3n2)C1 ZINC000371650319 499350597 /nfs/dbraw/zinc/35/05/97/499350597.db2.gz KKVQKGOHFNESHQ-HNNXBMFYSA-N -1 3 354.385 3.038 20 0 FGADHM Cc1cn2c(n1)CN(Cc1nc(=O)c3c(-c4ccco4)csc3[n-]1)CC2 ZINC000373319845 499463179 /nfs/dbraw/zinc/46/31/79/499463179.db2.gz VSZNCPHYZNAVAI-UHFFFAOYSA-N -1 3 367.434 3.178 20 0 FGADHM COc1cccc([C@@H]([N-]S(=O)(=O)CCC(F)(F)F)c2ccccn2)c1 ZINC000375146852 499489512 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CC(C)(C)OC(=O)CC[C@H]1CCCCN1C(=O)c1cccc2n[n-]nc21 ZINC000579331078 506149185 /nfs/dbraw/zinc/14/91/85/506149185.db2.gz AWSNSAHFEXGZAG-CYBMUJFWSA-N -1 3 358.442 3.075 20 0 FGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@@H](C)[C@H]1CC2CCC1CC2 ZINC000381502690 499544728 /nfs/dbraw/zinc/54/47/28/499544728.db2.gz JIXRUSVXBPDQMY-GFJIZPEISA-N -1 3 371.524 3.336 20 0 FGADHM O=C(CC1(C(=O)[O-])CCCCC1)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000383859216 499547066 /nfs/dbraw/zinc/54/70/66/499547066.db2.gz XQKHHOZPSYZJOB-IBGZPJMESA-N -1 3 372.509 3.440 20 0 FGADHM O=S(=O)([N-][C@@H](CO)C1CCCCC1)c1cccc(Cl)c1Cl ZINC000386176805 499548841 /nfs/dbraw/zinc/54/88/41/499548841.db2.gz GYEZMYIUCSJTRW-LBPRGKRZSA-N -1 3 352.283 3.213 20 0 FGADHM O=C([O-])CN(Cc1cc2c(cc1Br)OCCO2)C1CCCC1 ZINC000386834859 499549633 /nfs/dbraw/zinc/54/96/33/499549633.db2.gz VALLUSQPEKFOFN-UHFFFAOYSA-N -1 3 370.243 3.050 20 0 FGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]CC[C@@H](C)c1ccccc1 ZINC000392413279 499558785 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FGADHM Cc1ccc2c(ncc(C(=O)[O-])c2N2C[C@H](C)OC3(CCOCC3)C2)c1C ZINC000576468749 506165965 /nfs/dbraw/zinc/16/59/65/506165965.db2.gz IVVUUSVQWFUMQZ-AWEZNQCLSA-N -1 3 370.449 3.324 20 0 FGADHM COCc1ccccc1CS(=O)(=O)[N-]c1ccc(OC)c2ncccc12 ZINC000570429164 506166300 /nfs/dbraw/zinc/16/63/00/506166300.db2.gz GVHUYEKXPVWMCX-UHFFFAOYSA-N -1 3 372.446 3.332 20 0 FGADHM CC[C@@H](C)Sc1ccc(NC(=O)c2[nH]c(=O)[n-]c(=O)c2OC)c(C)c1 ZINC000416142322 499956489 /nfs/dbraw/zinc/95/64/89/499956489.db2.gz GLVRWRFGACFOCI-SNVBAGLBSA-N -1 3 363.439 3.348 20 0 FGADHM CN1CCC[C@H](CNC(=O)c2ccc(C(=O)[O-])cc2)[C@@H]1c1cccs1 ZINC000582241213 506167178 /nfs/dbraw/zinc/16/71/78/506167178.db2.gz HFDAMXVLTBLQFI-NVXWUHKLSA-N -1 3 358.463 3.259 20 0 FGADHM CO[C@H](Cc1ccccc1)CS(=O)(=O)[N-]c1ccc(SC)cc1 ZINC000421158759 499975871 /nfs/dbraw/zinc/97/58/71/499975871.db2.gz VGRJYDWJOFXXFD-MRXNPFEDSA-N -1 3 351.493 3.408 20 0 FGADHM CCCC[C@@H](NC[C@H]1CC12CCSCC2)C(=O)N=c1cc(C)o[n-]1 ZINC000421196245 499989094 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-1 3 372.299 3.275 20 0 FGADHM CCc1cc(=O)[n-]c(CN2CCC[C@H](c3nc4ccc(F)cc4o3)C2)n1 ZINC000443638257 500748285 /nfs/dbraw/zinc/74/82/85/500748285.db2.gz LIFZETKWQGHCSN-LBPRGKRZSA-N -1 3 356.401 3.405 20 0 FGADHM COc1cc(Br)c(S(=O)(=O)[N-]CC(C)(C)C)cc1Cl ZINC000433812798 500748917 /nfs/dbraw/zinc/74/89/17/500748917.db2.gz OGJNXGSNBXDTKN-UHFFFAOYSA-N -1 3 370.696 3.436 20 0 FGADHM O=C(Nc1nnc(-c2cc3ccccc3o2)[n-]1)[C@@H]1CCC(=O)c2cccn21 ZINC000448375310 500755312 /nfs/dbraw/zinc/75/53/12/500755312.db2.gz MPVZKYCAXXDJEV-ZDUSSCGKSA-N -1 3 361.361 3.176 20 0 FGADHM O=C(Nc1nc(-c2cc3ccccc3o2)n[n-]1)[C@@H]1CCC(=O)c2cccn21 ZINC000448375310 500755314 /nfs/dbraw/zinc/75/53/14/500755314.db2.gz MPVZKYCAXXDJEV-ZDUSSCGKSA-N -1 3 361.361 3.176 20 0 FGADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)[C@@H]1CCC(=O)c2cccn21 ZINC000448375310 500755318 /nfs/dbraw/zinc/75/53/18/500755318.db2.gz MPVZKYCAXXDJEV-ZDUSSCGKSA-N -1 3 361.361 3.176 20 0 FGADHM Cc1cc(F)ccc1-n1cc(C(=O)[N-]c2cc(C3(C)CCCC3)on2)nn1 ZINC000448415181 500759227 /nfs/dbraw/zinc/75/92/27/500759227.db2.gz QBTSCRNSIHYKEK-UHFFFAOYSA-N -1 3 369.400 3.209 20 0 FGADHM CC1([N-]S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)CCOCC1 ZINC000443731282 500759910 /nfs/dbraw/zinc/75/99/10/500759910.db2.gz IPETWLSTTBEWPN-UHFFFAOYSA-N -1 3 372.899 3.311 20 0 FGADHM CC[C@@H](C)[C@@H]([N-]S(=O)(=O)c1c[nH]c2nccc(Cl)c12)C(F)(F)F ZINC000443933699 500779829 /nfs/dbraw/zinc/77/98/29/500779829.db2.gz HVQIGCHXVALXAV-RDDDGLTNSA-N -1 3 369.796 3.472 20 0 FGADHM COc1ccc([C@@H]2CCCN2C(=O)Cc2ccc([O-])c(F)c2)c(OC)c1 ZINC000448609965 500784898 /nfs/dbraw/zinc/78/48/98/500784898.db2.gz DQOIVPAEJCUQSU-KRWDZBQOSA-N -1 3 359.397 3.455 20 0 FGADHM O=C(Cc1ccc([O-])c(F)c1)NCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000448613671 500786118 /nfs/dbraw/zinc/78/61/18/500786118.db2.gz FHQXQKKMESXHHZ-UHFFFAOYSA-N -1 3 370.424 3.016 20 0 FGADHM O=C(CCc1ccc2ccccc2c1[O-])N1CCN(Cc2ccco2)CC1 ZINC000448619401 500787730 /nfs/dbraw/zinc/78/77/30/500787730.db2.gz XBFGGWMLMWFVMK-UHFFFAOYSA-N -1 3 364.445 3.415 20 0 FGADHM O=C(NCc1ccc([O-])c(Br)c1)Nc1cccc2c1CCO2 ZINC000434220731 500812464 /nfs/dbraw/zinc/81/24/64/500812464.db2.gz OUTSDGTWOVNENJ-UHFFFAOYSA-N -1 3 363.211 3.411 20 0 FGADHM CCN(CC[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F)C(C)C ZINC000444175621 500813116 /nfs/dbraw/zinc/81/31/16/500813116.db2.gz LABSCKHIMIVMQD-UHFFFAOYSA-N -1 3 372.840 3.367 20 0 FGADHM O=C(c1ccc([O-])cc1)N1CCN(CCCc2ccc(Cl)cc2)CC1 ZINC000438702863 500814438 /nfs/dbraw/zinc/81/44/38/500814438.db2.gz LGWQTGRYFDTTLS-UHFFFAOYSA-N -1 3 358.869 3.436 20 0 FGADHM CC[C@@H](C)Oc1cc(C[N-]S(=O)(=O)c2ccccc2SC)ccn1 ZINC000444185604 500814857 /nfs/dbraw/zinc/81/48/57/500814857.db2.gz BYXLHDIJEXHXAE-CYBMUJFWSA-N -1 3 366.508 3.459 20 0 FGADHM CO[C@H](CS(=O)(=O)[N-]c1ccc(C)c(NC(=O)C(C)(C)C)c1)C1CC1 ZINC000582420246 506218258 /nfs/dbraw/zinc/21/82/58/506218258.db2.gz IKWMZILZYFSBLB-MRXNPFEDSA-N -1 3 368.499 3.146 20 0 FGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@@H]2CC[C@@H](C)[C@H](C)C2)cc1OC ZINC000448750850 500823463 /nfs/dbraw/zinc/82/34/63/500823463.db2.gz NGHCBUSFYIYVOU-MGPQQGTHSA-N -1 3 368.499 3.468 20 0 FGADHM COCc1nc(S[C@H](C(=O)OC)c2cc(Cl)cc(Cl)c2)n[n-]1 ZINC000438885119 500830843 /nfs/dbraw/zinc/83/08/43/500830843.db2.gz INVYSSJTUZRDHB-NSHDSACASA-N -1 3 362.238 3.264 20 0 FGADHM CCNC(=O)c1cc(NCc2c(F)ccc([O-])c2F)nc2ccccc21 ZINC000438929272 500836596 /nfs/dbraw/zinc/83/65/96/500836596.db2.gz JTLAKXSFVDBFHB-UHFFFAOYSA-N -1 3 357.360 3.002 20 0 FGADHM Cc1ccc(CNC(=O)c2ccc(C(C)C)cc2[O-])cc1S(C)(=O)=O ZINC000444428399 500847036 /nfs/dbraw/zinc/84/70/36/500847036.db2.gz BYYXLKHYTRTQOD-UHFFFAOYSA-N -1 3 361.463 3.158 20 0 FGADHM O=S(=O)([N-]CCCO[C@@H]1CCCCO1)c1c(Cl)cccc1Cl ZINC000439214801 500870659 /nfs/dbraw/zinc/87/06/59/500870659.db2.gz YNUFHMNALHVAKB-CYBMUJFWSA-N -1 3 368.282 3.205 20 0 FGADHM O=C(Cc1ccc([O-])c(F)c1)Nc1cc(F)ccc1OC[C@H]1CCCO1 ZINC000448933318 500873156 /nfs/dbraw/zinc/87/31/56/500873156.db2.gz PMRJSVUPGYCJLJ-CQSZACIVSA-N -1 3 363.360 3.409 20 0 FGADHM COc1cc(F)cc(CN2CCC(C(=O)Nc3ccccc3[O-])CC2)c1 ZINC000449006400 500893863 /nfs/dbraw/zinc/89/38/63/500893863.db2.gz FLMVOINRBMNIAL-UHFFFAOYSA-N -1 3 358.413 3.391 20 0 FGADHM CCOC(=O)c1nc(C2CCN(Cc3cc(F)ccc3Cl)CC2)n[n-]1 ZINC000444801269 500902891 /nfs/dbraw/zinc/90/28/91/500902891.db2.gz LIDQHTGMSYWTNE-UHFFFAOYSA-N -1 3 366.824 3.154 20 0 FGADHM CCOC(=O)c1nnc(C2CCN(Cc3cc(F)ccc3Cl)CC2)[n-]1 ZINC000444801269 500902894 /nfs/dbraw/zinc/90/28/94/500902894.db2.gz LIDQHTGMSYWTNE-UHFFFAOYSA-N -1 3 366.824 3.154 20 0 FGADHM C[C@H]1CC[C@@H](NC(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)C1 ZINC000444865841 500913473 /nfs/dbraw/zinc/91/34/73/500913473.db2.gz SAWYDJFYTUHGKK-NWDGAFQWSA-N -1 3 371.478 3.213 20 0 FGADHM CCCN(CC)c1ccc(C(=O)Nc2n[n-]c(-c3ccccc3F)n2)cn1 ZINC000598914690 506224204 /nfs/dbraw/zinc/22/42/04/506224204.db2.gz CCLXZAJFVPDFCK-UHFFFAOYSA-N -1 3 368.416 3.494 20 0 FGADHM Cc1cccc(-c2nnc3n2C[C@H](C(=O)Nc2ccc(C)cc2[O-])CC3)c1 ZINC000449092214 500922978 /nfs/dbraw/zinc/92/29/78/500922978.db2.gz SHBVBZMMVFIGCB-MRXNPFEDSA-N -1 3 362.433 3.469 20 0 FGADHM CC(C)C1(C[N-]S(=O)(=O)c2cc(F)ccc2Br)CC1 ZINC000435210373 500944129 /nfs/dbraw/zinc/94/41/29/500944129.db2.gz AXEDRPBJUVUPBT-UHFFFAOYSA-N -1 3 350.253 3.303 20 0 FGADHM O=S(=O)([N-]CCCc1ccccn1)c1csc(-c2ccccc2)n1 ZINC000435221820 500945282 /nfs/dbraw/zinc/94/52/82/500945282.db2.gz DFZQZNPYUUXXLH-UHFFFAOYSA-N -1 3 359.476 3.116 20 0 FGADHM COCCc1nc2cc(NC(=O)c3c[n-]c4ccccc4c3=O)ccc2o1 ZINC000440004613 500964928 /nfs/dbraw/zinc/96/49/28/500964928.db2.gz NXZDIWSUOBQKPF-UHFFFAOYSA-N -1 3 363.373 3.111 20 0 FGADHM COCCc1nc2cc(NC(=O)c3cnc4ccccc4c3[O-])ccc2o1 ZINC000440004613 500964929 /nfs/dbraw/zinc/96/49/29/500964929.db2.gz NXZDIWSUOBQKPF-UHFFFAOYSA-N -1 3 363.373 3.111 20 0 FGADHM CC[C@]1(CO)CCCN1C(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000440026633 500967691 /nfs/dbraw/zinc/96/76/91/500967691.db2.gz JFARJJXCIKRBNG-OAQYLSRUSA-N -1 3 353.418 3.000 20 0 FGADHM COc1cc(C)cc(-c2nc(CC(=O)Nc3ccccc3F)no2)c1[O-] ZINC000445297554 500968953 /nfs/dbraw/zinc/96/89/53/500968953.db2.gz HEWQRFRONZIFND-UHFFFAOYSA-N -1 3 357.341 3.080 20 0 FGADHM CN(C)C1(C[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)CCCC1 ZINC000435444844 500978884 /nfs/dbraw/zinc/97/88/84/500978884.db2.gz SYLKTLGWWBLMLK-UHFFFAOYSA-N -1 3 369.289 3.285 20 0 FGADHM CCOc1cc(-c2noc(-c3ccc(C(=O)NC4CC4)cc3)n2)ccc1[O-] ZINC000445428516 500984507 /nfs/dbraw/zinc/98/45/07/500984507.db2.gz WRTYVHJMPRFVAK-UHFFFAOYSA-N -1 3 365.389 3.400 20 0 FGADHM Cc1ccc(Sc2nsc([N-]C(=O)c3cnn4cccnc34)n2)cc1 ZINC000440311957 500995764 /nfs/dbraw/zinc/99/57/64/500995764.db2.gz DGXPOGGTZJJKNS-UHFFFAOYSA-N -1 3 368.447 3.293 20 0 FGADHM COC(=O)c1cc(NC(=O)c2n[n-]nc2-c2ccccc2)cc(C)c1C ZINC000435610215 501001413 /nfs/dbraw/zinc/00/14/13/501001413.db2.gz HKOUQQLNRWWRGW-UHFFFAOYSA-N -1 3 350.378 3.127 20 0 FGADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1ccc(COc2ccccc2)cc1 ZINC000440375356 501001521 /nfs/dbraw/zinc/00/15/21/501001521.db2.gz NKPDRDPWJQRHMD-UHFFFAOYSA-N -1 3 351.362 3.028 20 0 FGADHM CC(C)(C)OC(=O)C[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000440385001 501002584 /nfs/dbraw/zinc/00/25/84/501002584.db2.gz CXGSOFWOUUGZFW-UHFFFAOYSA-N -1 3 355.843 3.113 20 0 FGADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCOc3ccc(F)cc32)c(F)cc1F ZINC000440400103 501005190 /nfs/dbraw/zinc/00/51/90/501005190.db2.gz RCDGHMVMSJUJRD-CQSZACIVSA-N -1 3 357.353 3.214 20 0 FGADHM C[C@@H](C[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21)Cn1cccn1 ZINC000440419047 501006686 /nfs/dbraw/zinc/00/66/86/501006686.db2.gz VHEOXKPWWUZZRR-ZDUSSCGKSA-N -1 3 363.870 3.304 20 0 FGADHM CO[C@@H](C[N-]S(=O)(=O)c1cc(C)c(F)cc1F)c1ccc(F)cc1 ZINC000440418653 501006711 /nfs/dbraw/zinc/00/67/11/501006711.db2.gz UTKQGYDQZFYXCP-HNNXBMFYSA-N -1 3 359.369 3.078 20 0 FGADHM CC(=O)Nc1ccc(NC(=O)c2n[n-]nc2-c2ccccc2)c(Cl)c1 ZINC000435674198 501009231 /nfs/dbraw/zinc/00/92/31/501009231.db2.gz FGFBXNVGVAVTLI-UHFFFAOYSA-N -1 3 355.785 3.336 20 0 FGADHM Cc1cccc(O[C@@H]2CCCC[C@@H]2NC(=O)c2ccc3n[n-]nc3c2)c1 ZINC000435724210 501018335 /nfs/dbraw/zinc/01/83/35/501018335.db2.gz WSWVUGYUIHYXSW-PKOBYXMFSA-N -1 3 350.422 3.386 20 0 FGADHM CCc1ccnc(CNC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)c1 ZINC000435749676 501022444 /nfs/dbraw/zinc/02/24/44/501022444.db2.gz LBLIVXQPEJDTJA-UHFFFAOYSA-N -1 3 363.421 3.437 20 0 FGADHM COc1ccc(CC(C)(C)[N-]S(=O)(=O)c2sc(C)nc2C)cc1 ZINC000445713294 501023322 /nfs/dbraw/zinc/02/33/22/501023322.db2.gz CGNXQWHOEWBWPC-UHFFFAOYSA-N -1 3 354.497 3.068 20 0 FGADHM CC(C)(C)[C@@H](CN1CCc2ccccc2C1)[N-]S(=O)(=O)c1ccco1 ZINC000445751687 501028349 /nfs/dbraw/zinc/02/83/49/501028349.db2.gz OABDPLDRPDHUPP-QGZVFWFLSA-N -1 3 362.495 3.031 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1ncccc1Oc1ccccc1 ZINC000440734952 501044152 /nfs/dbraw/zinc/04/41/52/501044152.db2.gz VJGNFONVBFRSSQ-UHFFFAOYSA-N -1 3 358.361 3.306 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1ncccc1Oc1ccccc1 ZINC000440734952 501044155 /nfs/dbraw/zinc/04/41/55/501044155.db2.gz VJGNFONVBFRSSQ-UHFFFAOYSA-N -1 3 358.361 3.306 20 0 FGADHM CCCCc1nc(C(=O)OCC)c(NC(=O)CCc2nc(C)cs2)[n-]1 ZINC000435992719 501055328 /nfs/dbraw/zinc/05/53/28/501055328.db2.gz DKSJHVKDQIQBTJ-UHFFFAOYSA-N -1 3 364.471 3.265 20 0 FGADHM CCCCc1nc(NC(=O)CCc2nc(C)cs2)c(C(=O)OCC)[n-]1 ZINC000435992719 501055329 /nfs/dbraw/zinc/05/53/29/501055329.db2.gz DKSJHVKDQIQBTJ-UHFFFAOYSA-N -1 3 364.471 3.265 20 0 FGADHM COc1cc([N-]S(=O)(=O)c2ccc3c(c2)CC(C)(C)O3)ccc1F ZINC000436154100 501079932 /nfs/dbraw/zinc/07/99/32/501079932.db2.gz QAWLUUBPJSCLOP-UHFFFAOYSA-N -1 3 351.399 3.349 20 0 FGADHM CCOC(=O)c1sc2[n-]c(CC(=O)c3cccc(F)c3)nc(=O)c2c1C ZINC000446143317 501082388 /nfs/dbraw/zinc/08/23/88/501082388.db2.gz HIVRMFJCSQYBGU-UHFFFAOYSA-N -1 3 374.393 3.034 20 0 FGADHM CCOC(=O)c1ccsc1[N-]C(=O)C(=O)N1CCCC2(CCCC2)C1 ZINC000446240558 501092715 /nfs/dbraw/zinc/09/27/15/501092715.db2.gz FIBNYACWJRFOTF-UHFFFAOYSA-N -1 3 364.467 3.046 20 0 FGADHM CCCNC(=O)c1ccc(NC(=O)c2ccc3nc(OCC)[n-]c3c2)cc1 ZINC000449815624 501095183 /nfs/dbraw/zinc/09/51/83/501095183.db2.gz RKZGSUSTMQGXDH-UHFFFAOYSA-N -1 3 366.421 3.354 20 0 FGADHM CCCNC(=O)c1ccc(NC(=O)c2ccc3[n-]c(OCC)nc3c2)cc1 ZINC000449815624 501095185 /nfs/dbraw/zinc/09/51/85/501095185.db2.gz RKZGSUSTMQGXDH-UHFFFAOYSA-N -1 3 366.421 3.354 20 0 FGADHM C[C@@H](CC1CCCCC1)NC(=O)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000446266712 501096514 /nfs/dbraw/zinc/09/65/14/501096514.db2.gz MNEYTNCDFQFQSY-INIZCTEOSA-N -1 3 373.497 3.219 20 0 FGADHM COc1ccc(SCCCC(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000436332993 501109717 /nfs/dbraw/zinc/10/97/17/501109717.db2.gz JBSMMBGUZBEQSO-UHFFFAOYSA-N -1 3 369.450 3.386 20 0 FGADHM COc1ccc(SCCCC(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000436332993 501109719 /nfs/dbraw/zinc/10/97/19/501109719.db2.gz JBSMMBGUZBEQSO-UHFFFAOYSA-N -1 3 369.450 3.386 20 0 FGADHM O=C([N-]c1cc(F)ccc1SCC(F)F)c1cn(CC2CC2)nn1 ZINC000449949818 501134840 /nfs/dbraw/zinc/13/48/40/501134840.db2.gz PFTTVRVXUHFOEE-UHFFFAOYSA-N -1 3 356.373 3.437 20 0 FGADHM C[C@@H]1CN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])C[C@H](C)[S@@]1=O ZINC000436534437 501150038 /nfs/dbraw/zinc/15/00/38/501150038.db2.gz XLYXNKIMHQAUFY-YBCKSGLRSA-N -1 3 371.502 3.159 20 0 FGADHM CCc1ccc([C@@H]2COCCN2C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)o1 ZINC000436537296 501151142 /nfs/dbraw/zinc/15/11/42/501151142.db2.gz OXDLZCXRKNETBU-INIZCTEOSA-N -1 3 371.433 3.475 20 0 FGADHM C[C@H]1CCN(C)CCN1C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436547475 501153447 /nfs/dbraw/zinc/15/34/47/501153447.db2.gz KNYNXXGDYXLONN-KRWDZBQOSA-N -1 3 352.478 3.344 20 0 FGADHM CC(C)c1ccc(C(=O)N2CCN(CC(F)(F)C(F)F)CC2)c([O-])c1 ZINC000436546652 501153896 /nfs/dbraw/zinc/15/38/96/501153896.db2.gz VHBWDZYQALNTRQ-UHFFFAOYSA-N -1 3 362.367 3.174 20 0 FGADHM COC(=O)c1ccc(NC(=O)c2cccc(C)c2[O-])c(OC(F)F)c1 ZINC000436551513 501155018 /nfs/dbraw/zinc/15/50/18/501155018.db2.gz ZYDAKFKDZZXUBD-UHFFFAOYSA-N -1 3 351.305 3.341 20 0 FGADHM COc1ccc(NC(C)=O)c(NC(=O)c2cc3c(cc2[O-])CCCC3)c1 ZINC000436552927 501155152 /nfs/dbraw/zinc/15/51/52/501155152.db2.gz YARJBYUEPGOJJZ-UHFFFAOYSA-N -1 3 354.406 3.490 20 0 FGADHM Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2cccc(C)c2[O-])cc1C ZINC000436566270 501158925 /nfs/dbraw/zinc/15/89/25/501158925.db2.gz LAGNCWZCHZBXBE-KRWDZBQOSA-N -1 3 370.474 3.471 20 0 FGADHM Cc1ccc(C(=O)N2CCC[C@H](CNC(=O)c3ccccc3)C2)c([O-])c1C ZINC000436573451 501160552 /nfs/dbraw/zinc/16/05/52/501160552.db2.gz CMZRZLZECYWXJO-QGZVFWFLSA-N -1 3 366.461 3.291 20 0 FGADHM COC(=O)c1ccsc1[N-]C(=O)C(=O)N1CCC[C@H]1c1ccc(C)cc1 ZINC000441645332 501160595 /nfs/dbraw/zinc/16/05/95/501160595.db2.gz OKIOKCGPXHBKHF-HNNXBMFYSA-N -1 3 372.446 3.145 20 0 FGADHM CC(C)c1ccc(C(=O)N[C@@H]2CCN(C(=O)C3CCCCC3)C2)c([O-])c1 ZINC000436580446 501162069 /nfs/dbraw/zinc/16/20/69/501162069.db2.gz WVNXIGXCKAWIFT-QGZVFWFLSA-N -1 3 358.482 3.427 20 0 FGADHM C[C@@H](CO[C@@H]1CCOC1)NC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436584314 501163236 /nfs/dbraw/zinc/16/32/36/501163236.db2.gz MIUVYFXBUMAPQK-QFBILLFUSA-N -1 3 369.461 3.101 20 0 FGADHM CO[C@@H](C)c1nc(CNC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)cs1 ZINC000436587887 501163899 /nfs/dbraw/zinc/16/38/99/501163899.db2.gz XMEDJMVNHPMHEQ-JTQLQIEISA-N -1 3 362.451 3.200 20 0 FGADHM O=C(N[C@H]1CCO[C@@H]1C1CC1)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436609737 501169356 /nfs/dbraw/zinc/16/93/56/501169356.db2.gz WCXSXEMWNJOTKB-AZUAARDMSA-N -1 3 353.418 3.269 20 0 FGADHM CS[C@H]1CN(C(=O)c2ccc3ccccc3c2[O-])C[C@@H]1N1CCCC1 ZINC000436619425 501170558 /nfs/dbraw/zinc/17/05/58/501170558.db2.gz WJOZWQOFZLGLOP-ROUUACIJSA-N -1 3 356.491 3.197 20 0 FGADHM CC(C)(C)c1cnc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])s1 ZINC000436620407 501171299 /nfs/dbraw/zinc/17/12/99/501171299.db2.gz SWRIXIHZIXYHPO-CYBMUJFWSA-N -1 3 373.478 3.390 20 0 FGADHM Cc1noc([C@@H](C)NC(=O)c2cc(CCc3ccccc3)ccc2[O-])n1 ZINC000436623540 501171902 /nfs/dbraw/zinc/17/19/02/501171902.db2.gz IJUPELSXPMZUHN-CYBMUJFWSA-N -1 3 351.406 3.360 20 0 FGADHM O=C(N[C@H](CCO)c1ccc(Cl)c(Cl)c1)c1ccc(O)cc1[O-] ZINC000436630394 501173827 /nfs/dbraw/zinc/17/38/27/501173827.db2.gz NIBUCOPHXOAQSX-CQSZACIVSA-N -1 3 356.205 3.258 20 0 FGADHM CCOCCOc1cc(C)ccc1CNC(=O)Cc1ccc([O-])c(F)c1 ZINC000450080683 501175105 /nfs/dbraw/zinc/17/51/05/501175105.db2.gz FQQHAOMJNZLHOS-UHFFFAOYSA-N -1 3 361.413 3.114 20 0 FGADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CC[C@H](n2cccn2)C1 ZINC000436651035 501179569 /nfs/dbraw/zinc/17/95/69/501179569.db2.gz CSQPQLCQSYPHSZ-IBGZPJMESA-N -1 3 361.445 3.461 20 0 FGADHM CC1(C)Cc2ccc(C(=O)N3CCOc4cccc(F)c4C3)c([O-])c2O1 ZINC000436657466 501180541 /nfs/dbraw/zinc/18/05/41/501180541.db2.gz QMGNXMFWSDILAU-UHFFFAOYSA-N -1 3 357.381 3.280 20 0 FGADHM CN(Cc1ccc(F)cc1Br)C(=O)c1c([O-])cccc1O ZINC000436677885 501185970 /nfs/dbraw/zinc/18/59/70/501185970.db2.gz YXGVAKOXQLYACJ-UHFFFAOYSA-N -1 3 354.175 3.272 20 0 FGADHM Cc1cc(CCNC(=O)c2cc(CCc3ccccc3)ccc2[O-])on1 ZINC000436677606 501186253 /nfs/dbraw/zinc/18/62/53/501186253.db2.gz YAFCBNIUSXGUAR-UHFFFAOYSA-N -1 3 350.418 3.446 20 0 FGADHM CCOCCCNC(=O)c1cccc(NC(=O)c2ccc([O-])c(CC)c2)c1 ZINC000436684789 501187601 /nfs/dbraw/zinc/18/76/01/501187601.db2.gz GSAMANXNIMPUOL-UHFFFAOYSA-N -1 3 370.449 3.363 20 0 FGADHM CC1(C)Cc2ccc(C(=O)NCc3cn4cc(Cl)ccc4n3)c([O-])c2O1 ZINC000436683640 501187776 /nfs/dbraw/zinc/18/77/76/501187776.db2.gz URAMKJWYZVWUOP-UHFFFAOYSA-N -1 3 371.824 3.337 20 0 FGADHM C[C@@H](NC(=O)c1cc2c(cc1[O-])CCCC2)c1ccc([S@@](C)=O)cc1 ZINC000436689205 501188517 /nfs/dbraw/zinc/18/85/17/501188517.db2.gz WCZMBHGGGMHAOA-YMXBGEKHSA-N -1 3 357.475 3.499 20 0 FGADHM COc1cc(-c2nc(-c3ccccc3-n3cccn3)no2)cc(OC)c1[O-] ZINC000436689977 501188873 /nfs/dbraw/zinc/18/88/73/501188873.db2.gz PNYLVCOAZBLCAF-UHFFFAOYSA-N -1 3 364.361 3.312 20 0 FGADHM Cc1ccc(-c2nnc(NC(=O)c3cn(CC(C)C)nc3C(F)F)[n-]2)o1 ZINC000450140332 501191399 /nfs/dbraw/zinc/19/13/99/501191399.db2.gz OLCWMXATMDRTNX-UHFFFAOYSA-N -1 3 364.356 3.416 20 0 FGADHM Cc1ccc(-c2n[n-]c(NC(=O)c3cn(CC(C)C)nc3C(F)F)n2)o1 ZINC000450140332 501191402 /nfs/dbraw/zinc/19/14/02/501191402.db2.gz OLCWMXATMDRTNX-UHFFFAOYSA-N -1 3 364.356 3.416 20 0 FGADHM Cc1ccc(-c2nc(NC(=O)c3cn(CC(C)C)nc3C(F)F)n[n-]2)o1 ZINC000450140332 501191405 /nfs/dbraw/zinc/19/14/05/501191405.db2.gz OLCWMXATMDRTNX-UHFFFAOYSA-N -1 3 364.356 3.416 20 0 FGADHM O=C(NCCCNC(=O)c1cccc([O-])c1)Nc1nc(C2CCC2)cs1 ZINC000442030981 501192121 /nfs/dbraw/zinc/19/21/21/501192121.db2.gz MTCXAMRFLSRJPI-UHFFFAOYSA-N -1 3 374.466 3.058 20 0 FGADHM COc1ccc(C(=O)NCc2ccc(Br)c(F)c2)c([O-])c1 ZINC000436705762 501192252 /nfs/dbraw/zinc/19/22/52/501192252.db2.gz ACRAUPKUWPDKPQ-UHFFFAOYSA-N -1 3 354.175 3.232 20 0 FGADHM CC(=O)N[C@@H](C)C1CCN(C(=O)CCc2ccc3ccccc3c2[O-])CC1 ZINC000450717693 501192819 /nfs/dbraw/zinc/19/28/19/501192819.db2.gz QWABOLKLXKDMGY-HNNXBMFYSA-N -1 3 368.477 3.241 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)Nc2ccc(OC(F)F)cc2)c([O-])c1 ZINC000436710060 501193916 /nfs/dbraw/zinc/19/39/16/501193916.db2.gz YGHHUBITGMTEIS-UHFFFAOYSA-N -1 3 364.348 3.061 20 0 FGADHM O=C(Nc1nnc(-c2ccccn2)s1)c1cc2c(cc1[O-])CCCC2 ZINC000436714099 501194534 /nfs/dbraw/zinc/19/45/34/501194534.db2.gz LAXZPUVVBGKVMR-UHFFFAOYSA-N -1 3 352.419 3.437 20 0 FGADHM C[C@H](NCC[N-]S(=O)(=O)c1ccc(F)cc1F)c1ccccc1Cl ZINC000442101120 501196717 /nfs/dbraw/zinc/19/67/17/501196717.db2.gz XJRMTFKMCBKBLZ-NSHDSACASA-N -1 3 374.840 3.247 20 0 FGADHM O=C(NCc1cnn(-c2ccc(Br)cc2)c1)c1cccc([O-])c1 ZINC000447077394 501202203 /nfs/dbraw/zinc/20/22/03/501202203.db2.gz NRACXOURBHJFBB-UHFFFAOYSA-N -1 3 372.222 3.270 20 0 FGADHM CCN1CC[C@H](NC(=O)c2ccccc2[O-])[C@H]1c1cc(F)c(F)c(F)c1 ZINC000436740750 501202525 /nfs/dbraw/zinc/20/25/25/501202525.db2.gz RGBZETCTUCIHIH-MAUKXSAKSA-N -1 3 364.367 3.375 20 0 FGADHM Cc1nc(C(C)C)ccc1CN1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436748195 501203225 /nfs/dbraw/zinc/20/32/25/501203225.db2.gz DOQAPKXCGXNKOB-UHFFFAOYSA-N -1 3 353.466 3.177 20 0 FGADHM O=C(CCc1ccc2ccccc2c1[O-])N1CCO[C@H](COCC2CC2)C1 ZINC000450775469 501206407 /nfs/dbraw/zinc/20/64/07/501206407.db2.gz KPNOTOOHBBXLHJ-IBGZPJMESA-N -1 3 369.461 3.132 20 0 FGADHM C[C@H]1C[C@H](NC(=O)c2cc(Br)cc(Cl)c2[O-])CCN1C ZINC000436773216 501209422 /nfs/dbraw/zinc/20/94/22/501209422.db2.gz QFUPTXCRJYGJCG-WCBMZHEXSA-N -1 3 361.667 3.021 20 0 FGADHM CCn1cnc(S(=O)(=O)[N-][C@H](c2ccccc2)c2cccc(F)c2)c1 ZINC000447160821 501210867 /nfs/dbraw/zinc/21/08/67/501210867.db2.gz RZNCCTHKPONTHL-GOSISDBHSA-N -1 3 359.426 3.110 20 0 FGADHM CCOC(=O)Cn1ccc2cc(NC(=O)c3cc(OC)ccc3[O-])ccc21 ZINC000436791708 501212037 /nfs/dbraw/zinc/21/20/37/501212037.db2.gz KNSWGBWUTQZVMC-UHFFFAOYSA-N -1 3 368.389 3.171 20 0 FGADHM Cc1cccc(C(=O)N[C@@H](CO)c2ccc(Br)c(F)c2)c1[O-] ZINC000436789722 501212040 /nfs/dbraw/zinc/21/20/40/501212040.db2.gz CPPKLVNUGAVVJK-AWEZNQCLSA-N -1 3 368.202 3.066 20 0 FGADHM CCOc1c(Cl)cc(CNC(=O)c2cc(OC)ccc2[O-])cc1OC ZINC000436798368 501213117 /nfs/dbraw/zinc/21/31/17/501213117.db2.gz LBLFLMUIUUFYKB-UHFFFAOYSA-N -1 3 365.813 3.392 20 0 FGADHM CCN(CCC(=O)OC)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436805800 501214536 /nfs/dbraw/zinc/21/45/36/501214536.db2.gz SWDKXBVGJSPKAU-UHFFFAOYSA-N -1 3 355.434 3.203 20 0 FGADHM CCc1ccc(C(=O)N(Cc2ccccc2)C[C@@]2(O)CCO[C@H]2C)c([O-])c1 ZINC000436809020 501214776 /nfs/dbraw/zinc/21/47/76/501214776.db2.gz RAUUTIPBDVPQDF-AOMKIAJQSA-N -1 3 369.461 3.137 20 0 FGADHM CCOC(=O)CN(CCc1ccccc1)C(=O)c1ccc(CC)cc1[O-] ZINC000436818332 501215621 /nfs/dbraw/zinc/21/56/21/501215621.db2.gz ALTXKHUZCCXYPN-UHFFFAOYSA-N -1 3 355.434 3.203 20 0 FGADHM CCc1ccc(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)c([O-])c1 ZINC000436817863 501216145 /nfs/dbraw/zinc/21/61/45/501216145.db2.gz IYCBQGCRHGOACC-UHFFFAOYSA-N -1 3 356.441 3.488 20 0 FGADHM Cc1ccc(NC(=O)c2ccc3c(c2[O-])CCCC3)cc1N1CCNC1=O ZINC000436819532 501216244 /nfs/dbraw/zinc/21/62/44/501216244.db2.gz DJDUBPBTXNETDG-UHFFFAOYSA-N -1 3 365.433 3.361 20 0 FGADHM COc1cccc(C(=O)NCc2ccc(Br)cc2C)c1[O-] ZINC000436833495 501218299 /nfs/dbraw/zinc/21/82/99/501218299.db2.gz MFVQUJYGNWLKRZ-UHFFFAOYSA-N -1 3 350.212 3.402 20 0 FGADHM Cc1ccc(C(=O)Nc2cc(C(N)=O)ccc2OCC(F)F)c([O-])c1C ZINC000436834549 501218938 /nfs/dbraw/zinc/21/89/38/501218938.db2.gz ZWHYNCFYDCCGEF-UHFFFAOYSA-N -1 3 364.348 3.004 20 0 FGADHM O=C(c1ccc([O-])cc1)N1CCN([C@H]2CCc3ccc(Cl)cc32)CC1 ZINC000436837044 501219077 /nfs/dbraw/zinc/21/90/77/501219077.db2.gz NIJQGRJYLVQWJG-IBGZPJMESA-N -1 3 356.853 3.491 20 0 FGADHM O=C(NCc1csc(=O)[nH]1)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436851609 501221076 /nfs/dbraw/zinc/22/10/76/501221076.db2.gz MKTGLGLKJDIKBM-UHFFFAOYSA-N -1 3 356.403 3.063 20 0 FGADHM COc1cccc(C(=O)N2C[C@H](C)N(Cc3ccccc3)C[C@@H]2C)c1[O-] ZINC000436863075 501223630 /nfs/dbraw/zinc/22/36/30/501223630.db2.gz RPMLESGPHUYBOR-HOTGVXAUSA-N -1 3 354.450 3.136 20 0 FGADHM CC(C)c1ccc(C(=O)NCCCNC(=O)c2ccc(F)cc2)c([O-])c1 ZINC000436866077 501223854 /nfs/dbraw/zinc/22/38/54/501223854.db2.gz WKRYGSCOZBBIRR-UHFFFAOYSA-N -1 3 358.413 3.205 20 0 FGADHM CCOc1c(OC)cc(CN=c2[n-]c(C(C)=O)c(C)s2)cc1OC ZINC000450285021 501225422 /nfs/dbraw/zinc/22/54/22/501225422.db2.gz DPCQFGCKDYEHSB-UHFFFAOYSA-N -1 3 350.440 3.104 20 0 FGADHM CCCOC1(CNC(=O)c2cc(OC)c([O-])c(OC)c2)CCCCC1 ZINC000436876016 501225482 /nfs/dbraw/zinc/22/54/82/501225482.db2.gz ZZMGTWKBSFDPLJ-UHFFFAOYSA-N -1 3 351.443 3.269 20 0 FGADHM COc1cccc(C(=O)N[C@H](C)c2nc(-c3ccncc3)cs2)c1[O-] ZINC000436880214 501226731 /nfs/dbraw/zinc/22/67/31/501226731.db2.gz QDAGGVZHFQLDQH-LLVKDONJSA-N -1 3 355.419 3.410 20 0 FGADHM CCSc1ccc(C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000436887512 501227983 /nfs/dbraw/zinc/22/79/83/501227983.db2.gz QBJOTLOZYLBWNE-UHFFFAOYSA-N -1 3 370.474 3.102 20 0 FGADHM Cc1ccc(-c2nc(-c3ccc(CN4CCOCC4)cc3)no2)c([O-])c1 ZINC000436891037 501228568 /nfs/dbraw/zinc/22/85/68/501228568.db2.gz HBHYQGNXXGQRBB-UHFFFAOYSA-N -1 3 351.406 3.250 20 0 FGADHM Cc1ccc(F)c(NC(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)c1 ZINC000436917845 501232354 /nfs/dbraw/zinc/23/23/54/501232354.db2.gz CGBZDSHPGVLQMD-UHFFFAOYSA-N -1 3 371.412 3.266 20 0 FGADHM CC(=O)c1[n-]c(=NC[C@H](c2cccs2)N2CCO[C@H](C)C2)sc1C ZINC000450322408 501233701 /nfs/dbraw/zinc/23/37/01/501233701.db2.gz YXKPJNROONZKNU-BXUZGUMPSA-N -1 3 365.524 3.011 20 0 FGADHM COc1ccc(-c2nc(-c3ccc4c(c3)C(SC)C(=O)N4)no2)c([O-])c1 ZINC000436925059 501234028 /nfs/dbraw/zinc/23/40/28/501234028.db2.gz FEBKXWAUPVBMMR-HNNXBMFYSA-N -1 3 369.402 3.474 20 0 FGADHM CO[C@@H](CS(=O)(=O)[N-]c1cccc(NC(C)=O)c1C)c1ccccc1 ZINC000450978105 501236653 /nfs/dbraw/zinc/23/66/53/501236653.db2.gz XDRFHCBBGYIDOH-SFHVURJKSA-N -1 3 362.451 3.083 20 0 FGADHM CCOc1ccc([N-]S(=O)(=O)c2c[nH]c(=O)s2)c(C(F)(F)F)c1 ZINC000450990770 501237343 /nfs/dbraw/zinc/23/73/43/501237343.db2.gz JPJJWXXWRYWVSL-UHFFFAOYSA-N -1 3 368.358 3.067 20 0 FGADHM O=S(=O)([N-]Cc1ccccc1CN1CCCC1)c1sccc1Cl ZINC000451000443 501237860 /nfs/dbraw/zinc/23/78/60/501237860.db2.gz PKOMEUBQNVCHPE-UHFFFAOYSA-N -1 3 370.927 3.476 20 0 FGADHM CCCNC(=O)c1cccc(C[N-]S(=O)(=O)c2sccc2Cl)c1 ZINC000451063971 501242849 /nfs/dbraw/zinc/24/28/49/501242849.db2.gz NPOBXZSFGCYTRY-UHFFFAOYSA-N -1 3 372.899 3.020 20 0 FGADHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-][C@@H](CC)c1cccs1 ZINC000451096233 501245323 /nfs/dbraw/zinc/24/53/23/501245323.db2.gz LWPVDURVNAITGH-GXSJLCMTSA-N -1 3 373.418 3.003 20 0 FGADHM C[C@@H](COCC(F)(F)F)[N-]S(=O)(=O)c1ccc2ccccc2c1F ZINC000451132318 501247447 /nfs/dbraw/zinc/24/74/47/501247447.db2.gz VXWPGCNRTZABNO-JTQLQIEISA-N -1 3 365.348 3.225 20 0 FGADHM COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)CCc1ccc2ccccc2c1[O-] ZINC000451262883 501256086 /nfs/dbraw/zinc/25/60/86/501256086.db2.gz PSIBFMOBNUXDDX-UWVAXJGDSA-N -1 3 367.445 3.278 20 0 FGADHM Cc1csc(S(=O)(=O)[N-][C@H](C)c2nc(Cc3ccccc3)no2)c1 ZINC000451293148 501257965 /nfs/dbraw/zinc/25/79/65/501257965.db2.gz VHGXEZSKDBUCDF-GFCCVEGCSA-N -1 3 363.464 3.070 20 0 FGADHM CCOc1ccncc1S(=O)(=O)[N-]C[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000451302666 501260189 /nfs/dbraw/zinc/26/01/89/501260189.db2.gz KYULWKSFRCZRJW-RYUDHWBXSA-N -1 3 366.405 3.127 20 0 FGADHM Cc1csc(S(=O)(=O)[N-][C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000451367017 501276275 /nfs/dbraw/zinc/27/62/75/501276275.db2.gz KOCOEEKJXQDWMH-DZGCQCFKSA-N -1 3 359.419 3.143 20 0 FGADHM C[C@H](CN(C)Cc1ccccc1)[N-]S(=O)(=O)c1sccc1Cl ZINC000451369285 501276709 /nfs/dbraw/zinc/27/67/09/501276709.db2.gz RWGRXGIAYWWQIZ-GFCCVEGCSA-N -1 3 358.916 3.200 20 0 FGADHM CC(C)[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc3ccccc3c2F)CCO1 ZINC000451373743 501278140 /nfs/dbraw/zinc/27/81/40/501278140.db2.gz HTRAKDOWKUQIMF-GOEBONIOSA-N -1 3 351.443 3.461 20 0 FGADHM C[C@@H]1C[C@H](CC[N-]S(=O)(=O)c2ccc3ccccc3c2F)CCO1 ZINC000451395827 501282453 /nfs/dbraw/zinc/28/24/53/501282453.db2.gz RNQYWUJRZBVUEH-ZIAGYGMSSA-N -1 3 351.443 3.462 20 0 FGADHM Cn1c2c(nc1[C@H]1CCCN1C(=O)Cc1ccc([O-])c(F)c1)CCCC2 ZINC000451401971 501283369 /nfs/dbraw/zinc/28/33/69/501283369.db2.gz AODTUTPPAZZEHM-QGZVFWFLSA-N -1 3 357.429 3.050 20 0 FGADHM COCCN(C(=O)CCc1ccc2ccccc2c1[O-])[C@@H]1CCO[C@H]1C ZINC000451471157 501300343 /nfs/dbraw/zinc/30/03/43/501300343.db2.gz OWUMXUPCDKKVMI-HNAYVOBHSA-N -1 3 357.450 3.130 20 0 FGADHM CC(C)Oc1ccc(C(=O)N=c2cc(OC(F)F)n(C)[n-]2)c(Cl)c1 ZINC000457752436 501301349 /nfs/dbraw/zinc/30/13/49/501301349.db2.gz UOZFYDHRQUCTQO-UHFFFAOYSA-N -1 3 359.760 3.136 20 0 FGADHM C[C@@H](CCO)CC[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000451622373 501339087 /nfs/dbraw/zinc/33/90/87/501339087.db2.gz FUCULJNICBNBIQ-LLVKDONJSA-N -1 3 374.915 3.150 20 0 FGADHM O=S(=O)([N-]C[C@H]1CCCCC1(F)F)c1cnn(-c2ccccc2F)c1 ZINC000451637894 501341413 /nfs/dbraw/zinc/34/14/13/501341413.db2.gz CJRJMCVIKDBTRU-GFCCVEGCSA-N -1 3 373.400 3.115 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]C[C@@H]2CCCCC2(F)F)c(Cl)c1 ZINC000451639221 501341737 /nfs/dbraw/zinc/34/17/37/501341737.db2.gz KMRQSGNPDMOTPI-JTQLQIEISA-N -1 3 353.818 3.452 20 0 FGADHM CO[C@@H](C[N-]S(=O)(=O)c1cc(F)ccc1Cl)Cc1ccccc1 ZINC000451660958 501346235 /nfs/dbraw/zinc/34/62/35/501346235.db2.gz HDKVPJOLGMYPIC-CQSZACIVSA-N -1 3 357.834 3.015 20 0 FGADHM CC(C)(C[N-]S(=O)(=O)c1ccccc1C(F)(F)F)c1ccccn1 ZINC000451673346 501348367 /nfs/dbraw/zinc/34/83/67/501348367.db2.gz VHOAEVPJXCOIBG-UHFFFAOYSA-N -1 3 358.385 3.357 20 0 FGADHM CC1(C)C[C@H](CNC(=O)NCc2ccc([O-])c(Br)c2)CCO1 ZINC000455635722 501352728 /nfs/dbraw/zinc/35/27/28/501352728.db2.gz YTECZFONGXZDIW-GFCCVEGCSA-N -1 3 371.275 3.159 20 0 FGADHM CCC1([N-]S(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2F)CCCC1 ZINC000451734814 501363365 /nfs/dbraw/zinc/36/33/65/501363365.db2.gz CRGSAPCSIMCATM-UHFFFAOYSA-N -1 3 362.854 3.439 20 0 FGADHM CC(C)[C@@]1(C)C[C@@H]1NC(=O)Cc1csc(NC(=O)c2cccc([O-])c2)n1 ZINC000458101834 501372890 /nfs/dbraw/zinc/37/28/90/501372890.db2.gz BZRCYWRQJRWGHV-HNAYVOBHSA-N -1 3 373.478 3.194 20 0 FGADHM C[C@H](O)CN(Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1)CC(F)F ZINC000451861905 501388134 /nfs/dbraw/zinc/38/81/34/501388134.db2.gz ZWFGBOXRDBLVJF-VIFPVBQESA-N -1 3 369.393 3.105 20 0 FGADHM CC1(C)COC[C@@H]1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000451985957 501413218 /nfs/dbraw/zinc/41/32/18/501413218.db2.gz XBKZMTALHKLPMI-NSHDSACASA-N -1 3 357.781 3.062 20 0 FGADHM O=S(=O)([N-]CCC[C@H]1CCOC1)c1cc(C(F)(F)F)ccc1Cl ZINC000452020852 501419593 /nfs/dbraw/zinc/41/95/93/501419593.db2.gz RWNRNFSSGNAXER-JTQLQIEISA-N -1 3 371.808 3.454 20 0 FGADHM CCC[C@@H]1CCCC[C@H]1C[N-]S(=O)(=O)c1ccc(CNC(C)=O)s1 ZINC000452040855 501422868 /nfs/dbraw/zinc/42/28/68/501422868.db2.gz IGVDVIHELFNLBS-CABCVRRESA-N -1 3 372.556 3.269 20 0 FGADHM CCOc1nc2cc(C(=O)N(C)C[C@@H](C)C(=O)OC(C)(C)C)ccc2[n-]1 ZINC000458380531 501431854 /nfs/dbraw/zinc/43/18/54/501431854.db2.gz DJKFVDQBPXFCPJ-GFCCVEGCSA-N -1 3 361.442 3.011 20 0 FGADHM CCOc1nc2ccc(C(=O)N(C)C[C@@H](C)C(=O)OC(C)(C)C)cc2[n-]1 ZINC000458380531 501431856 /nfs/dbraw/zinc/43/18/56/501431856.db2.gz DJKFVDQBPXFCPJ-GFCCVEGCSA-N -1 3 361.442 3.011 20 0 FGADHM CCOC(=O)c1ccsc1[N-]C(=O)C(=O)N1C[C@H](C(C)C)[C@@H]1C(C)C ZINC000453962530 501433939 /nfs/dbraw/zinc/43/39/39/501433939.db2.gz WIZJKDRAABCRAX-KGLIPLIRSA-N -1 3 366.483 3.002 20 0 FGADHM CCOC(=O)c1cc(C(=O)[N-]c2ccc(Cl)cc2OCC(F)F)on1 ZINC000452119959 501439828 /nfs/dbraw/zinc/43/98/28/501439828.db2.gz IMOGGCYCPNAJJD-UHFFFAOYSA-N -1 3 374.727 3.401 20 0 FGADHM COc1c(F)cc([N-]C(=O)c2nnc(C(C)(C)C)s2)c(OC)c1F ZINC000456262191 501483597 /nfs/dbraw/zinc/48/35/97/501483597.db2.gz TXNAWSZQXGDYSQ-UHFFFAOYSA-N -1 3 357.382 3.383 20 0 FGADHM COCC[C@H](NC(=O)c1csc(=O)[n-]1)c1cccc(C(F)(F)F)c1 ZINC000456286102 501488972 /nfs/dbraw/zinc/48/89/72/501488972.db2.gz JZDPRAQTEDSBCD-NSHDSACASA-N -1 3 360.357 3.375 20 0 FGADHM COc1cc2c(cc1F)[n-]cc(C(=O)N1C[C@H](C(C)C)[C@@H]1C(C)C)c2=O ZINC000456294536 501490718 /nfs/dbraw/zinc/49/07/18/501490718.db2.gz AZRGBNNQMXNOMM-KDOFPFPSSA-N -1 3 360.429 3.428 20 0 FGADHM C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)c2cc(F)c([O-])c(F)c2)C1 ZINC000456329001 501499698 /nfs/dbraw/zinc/49/96/98/501499698.db2.gz IJFYJYFVYMYVTC-CQSZACIVSA-N -1 3 360.404 3.265 20 0 FGADHM C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000454277188 501499878 /nfs/dbraw/zinc/49/98/78/501499878.db2.gz PLOQGKCRGDQQRR-IGCXYCKISA-N -1 3 363.417 3.369 20 0 FGADHM CC[C@@H]1CN(CC)CCN1C(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000456340029 501503424 /nfs/dbraw/zinc/50/34/24/501503424.db2.gz ACZFAPWXYYMHJA-LJQANCHMSA-N -1 3 366.461 3.180 20 0 FGADHM CC(C)[C@@H]1CN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])[C@@H]1C(C)C ZINC000456360953 501508929 /nfs/dbraw/zinc/50/89/29/501508929.db2.gz ZIYRWCHLRLEGAN-YQVWRLOYSA-N -1 3 358.482 3.136 20 0 FGADHM C[C@@H](O)CN(CC(F)F)C(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000456594315 501554112 /nfs/dbraw/zinc/55/41/12/501554112.db2.gz RFCNJHPWYMILSF-CYBMUJFWSA-N -1 3 365.376 3.059 20 0 FGADHM C[C@H](NC(=O)Cc1ccc([O-])cc1Cl)C(=O)N1c2ccccc2C[C@H]1C ZINC000456651392 501567188 /nfs/dbraw/zinc/56/71/88/501567188.db2.gz PKKJRIDKQNIOOL-OLZOCXBDSA-N -1 3 372.852 3.071 20 0 FGADHM O=C(CCc1ccc2ccccc2c1[O-])N1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000456727822 501587585 /nfs/dbraw/zinc/58/75/85/501587585.db2.gz ZXLCUQUBSMRJSW-KBXCAEBGSA-N -1 3 367.367 3.250 20 0 FGADHM O=C(CNC(=O)c1cccc([O-])c1)NC[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000456734571 501589320 /nfs/dbraw/zinc/58/93/20/501589320.db2.gz CZUSOVIBMYRXCE-AZUAARDMSA-N -1 3 366.461 3.212 20 0 FGADHM CC[C@H](NC(=O)c1cc(OCc2ccccc2)ccc1[O-])[C@@H](O)C(F)F ZINC000452943002 501590444 /nfs/dbraw/zinc/59/04/44/501590444.db2.gz RIEACQVGHPCMFX-DOTOQJQBSA-N -1 3 365.376 3.106 20 0 FGADHM CC[C@@H]1CC[C@H](C)N(C(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)C1 ZINC000456795344 501600266 /nfs/dbraw/zinc/60/02/66/501600266.db2.gz FSPVTODASDUZFF-GOEBONIOSA-N -1 3 368.481 3.110 20 0 FGADHM O=C(Cc1ccc(Br)cc1[O-])N1CCC[C@@]2(CCSC2)C1 ZINC000456823639 501605799 /nfs/dbraw/zinc/60/57/99/501605799.db2.gz JDGMOSDLXOERMM-MRXNPFEDSA-N -1 3 370.312 3.443 20 0 FGADHM CC(C)(C)OC(=O)[C@H]1CCN(Cc2cc(=O)[n-]c(-c3ccccc3)n2)C1 ZINC000459341580 501634957 /nfs/dbraw/zinc/63/49/57/501634957.db2.gz JYNSQWTWYBZWTH-HNNXBMFYSA-N -1 3 355.438 3.013 20 0 FGADHM C[C@@H]1C[C@H]1c1ccc(C[N-]S(=O)(=O)c2ccc3c(c2)C(=O)CCC3)o1 ZINC000582516122 506266766 /nfs/dbraw/zinc/26/67/66/506266766.db2.gz XZDHXILURBOJSS-MLGOLLRUSA-N -1 3 359.447 3.401 20 0 FGADHM O=C(C[C@@H]1CCCN1Cc1cc(=O)[n-]c(C2CC2)n1)c1ccc(F)cc1 ZINC000459359523 501638619 /nfs/dbraw/zinc/63/86/19/501638619.db2.gz CEHBZYWNXPYGPQ-KRWDZBQOSA-N -1 3 355.413 3.436 20 0 FGADHM O=c1cc(CN(CCO)Cc2ccc(Cl)c(Cl)c2)nc(C2CC2)[n-]1 ZINC000459373799 501641690 /nfs/dbraw/zinc/64/16/90/501641690.db2.gz NIMIZJJRYODZEO-UHFFFAOYSA-N -1 3 368.264 3.361 20 0 FGADHM CC(C)CC(=O)N1CCC(NCc2cccc([O-])c2Br)CC1 ZINC000459392103 501645353 /nfs/dbraw/zinc/64/53/53/501645353.db2.gz LELBYISKQQUDFQ-UHFFFAOYSA-N -1 3 369.303 3.281 20 0 FGADHM CC(C)c1nc2n(n1)CCC[C@@H]2NCc1cccc([O-])c1Br ZINC000459432218 501652999 /nfs/dbraw/zinc/65/29/99/501652999.db2.gz KVOCJCGZORGMOK-LBPRGKRZSA-N -1 3 365.275 3.494 20 0 FGADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CC[C@@H](CCCO)C1 ZINC000457116876 501653378 /nfs/dbraw/zinc/65/33/78/501653378.db2.gz NYEJYTPXPRWCCC-LJQANCHMSA-N -1 3 353.462 3.412 20 0 FGADHM O=c1cc(CN[C@@]2(CO)CCCc3ccccc32)nc(-c2ccccc2)[n-]1 ZINC000459436430 501653556 /nfs/dbraw/zinc/65/35/56/501653556.db2.gz QADBUOHSXWFVRY-JOCHJYFZSA-N -1 3 361.445 3.163 20 0 FGADHM CC(C)(C)CNC(=O)C(C)(C)NCc1cccc([O-])c1Br ZINC000459447483 501655511 /nfs/dbraw/zinc/65/55/11/501655511.db2.gz KCGXJLZKZLEBTF-UHFFFAOYSA-N -1 3 357.292 3.185 20 0 FGADHM CCOC(=O)[C@@H]1CCN(Cc2cc(=O)[n-]c(C3CC3)n2)c2ccccc21 ZINC000459450297 501656168 /nfs/dbraw/zinc/65/61/68/501656168.db2.gz VKSGPUIPKLECES-MRXNPFEDSA-N -1 3 353.422 3.117 20 0 FGADHM Cc1c(-c2ccccc2)[n-][nH]c1=NC(=O)N=c1ccn(CCC(C)C)[nH]1 ZINC000459462198 501658064 /nfs/dbraw/zinc/65/80/64/501658064.db2.gz UNAQQSITJHHNKH-UHFFFAOYSA-N -1 3 352.442 3.116 20 0 FGADHM Cc1ccccc1C[C@@H](CO)NCc1cccc([O-])c1Br ZINC000459507581 501666101 /nfs/dbraw/zinc/66/61/01/501666101.db2.gz KSDLFCLORRRRTC-HNNXBMFYSA-N -1 3 350.256 3.156 20 0 FGADHM [O-]c1cccc(CN2C[C@@H](c3ccsc3)[C@H](CO)C2)c1Br ZINC000459554439 501675669 /nfs/dbraw/zinc/67/56/69/501675669.db2.gz CUZNMSBLQBWWLQ-KBPBESRZSA-N -1 3 368.296 3.424 20 0 FGADHM CCC1CN(C(=O)c2sccc2S(=O)(=O)[N-]C2CCCCCC2)C1 ZINC000457312199 501680082 /nfs/dbraw/zinc/68/00/82/501680082.db2.gz WFDGPTVXVMOCTM-UHFFFAOYSA-N -1 3 370.540 3.231 20 0 FGADHM CC(C)CCCCC(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000457393622 501692583 /nfs/dbraw/zinc/69/25/83/501692583.db2.gz CYIHNCLERYEPGP-UHFFFAOYSA-N -1 3 372.556 3.234 20 0 FGADHM C[C@H]1CC[C@@](C)(C(=O)Nc2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)C1(C)C ZINC000457440017 501698530 /nfs/dbraw/zinc/69/85/30/501698530.db2.gz BPJIGHQODGHMGY-OUWQEXSBSA-N -1 3 357.454 3.142 20 0 FGADHM COC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000474187571 501737006 /nfs/dbraw/zinc/73/70/06/501737006.db2.gz DFEWFZPKKTXHQY-AWEZNQCLSA-N -1 3 357.834 3.015 20 0 FGADHM CC(C)[C@H](NC(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1)C(C)(C)O ZINC000481302929 501738537 /nfs/dbraw/zinc/73/85/37/501738537.db2.gz ARGXCAYWODPMJL-IBGZPJMESA-N -1 3 355.434 3.149 20 0 FGADHM Cc1nc(-c2ccccc2NC(=O)CNC(=O)c2cccc([O-])c2)cs1 ZINC000477687429 501758333 /nfs/dbraw/zinc/75/83/33/501758333.db2.gz CFQJERMZLCUEDC-UHFFFAOYSA-N -1 3 367.430 3.193 20 0 FGADHM Cc1ccccc1[C@H](NC(=O)c1cn(C)c(=O)[n-]c1=O)C1CCC(C)CC1 ZINC000602715605 506271884 /nfs/dbraw/zinc/27/18/84/506271884.db2.gz IEGUWJZGKYTLSO-LEHRNKBSSA-N -1 3 369.465 3.092 20 0 FGADHM CCc1ccc([O-])c(C(=O)N2CCN(c3cc(OC)ccc3F)CC2)c1 ZINC000481411300 501766667 /nfs/dbraw/zinc/76/66/67/501766667.db2.gz YZDXNMDVVBKHFC-UHFFFAOYSA-N -1 3 358.413 3.065 20 0 FGADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCC[C@@H](C(C)(C)C)CC2)c(C)o1 ZINC000474266432 501767446 /nfs/dbraw/zinc/76/74/46/501767446.db2.gz JXPKGWGZVQGNQP-KGLIPLIRSA-N -1 3 370.515 3.221 20 0 FGADHM NC(=O)c1ccc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)c(F)c1 ZINC000467308985 501768171 /nfs/dbraw/zinc/76/81/71/501768171.db2.gz OMLYOVZTYAPWNY-UHFFFAOYSA-N -1 3 363.197 3.032 20 0 FGADHM O=S(=O)(CCc1ccccc1)[N-][C@@H](CO)c1c(Cl)cccc1Cl ZINC000481460462 501781004 /nfs/dbraw/zinc/78/10/04/501781004.db2.gz AIPXVSXYHOQBNO-HNNXBMFYSA-N -1 3 374.289 3.189 20 0 FGADHM Cc1ccccc1CS(=O)(=O)[N-][C@H](CO)c1c(Cl)cccc1Cl ZINC000481468456 501784969 /nfs/dbraw/zinc/78/49/69/501784969.db2.gz WCUGLQHLAQEUOL-OAHLLOKOSA-N -1 3 374.289 3.455 20 0 FGADHM Cc1cccc(Br)c1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000463727073 501803202 /nfs/dbraw/zinc/80/32/02/501803202.db2.gz XKWJYNFAPPTXCU-UHFFFAOYSA-N -1 3 358.199 3.190 20 0 FGADHM Cc1cccc(Br)c1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000463727073 501803205 /nfs/dbraw/zinc/80/32/05/501803205.db2.gz XKWJYNFAPPTXCU-UHFFFAOYSA-N -1 3 358.199 3.190 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000463723921 501803708 /nfs/dbraw/zinc/80/37/08/501803708.db2.gz GTCQHEMXYQLGJP-NWDGAFQWSA-N -1 3 359.311 3.026 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000463723921 501803711 /nfs/dbraw/zinc/80/37/11/501803711.db2.gz GTCQHEMXYQLGJP-NWDGAFQWSA-N -1 3 359.311 3.026 20 0 FGADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCO[C@H](COc2ccccc2)C1 ZINC000481535019 501805416 /nfs/dbraw/zinc/80/54/16/501805416.db2.gz UUWXIZLGDOFGSB-SFHVURJKSA-N -1 3 373.424 3.160 20 0 FGADHM CN1CCN(C(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)c2ccc(F)cc21 ZINC000485398103 501809412 /nfs/dbraw/zinc/80/94/12/501809412.db2.gz GGUZHNWUVSDINK-UHFFFAOYSA-N -1 3 373.334 3.042 20 0 FGADHM CN1CCN(C(=O)c2cnc3c(F)cc(F)cc3c2[O-])c2ccc(F)cc21 ZINC000485398103 501809417 /nfs/dbraw/zinc/80/94/17/501809417.db2.gz GGUZHNWUVSDINK-UHFFFAOYSA-N -1 3 373.334 3.042 20 0 FGADHM COc1c2ccccc2oc1C[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000474383651 501815318 /nfs/dbraw/zinc/81/53/18/501815318.db2.gz DJZMBWXRSJUDJG-UHFFFAOYSA-N -1 3 353.346 3.198 20 0 FGADHM COCc1nc(SCc2nc(-c3ccc(C(F)(F)F)cc3)no2)n[n-]1 ZINC000474397093 501821187 /nfs/dbraw/zinc/82/11/87/501821187.db2.gz BBAPVXGFLKJDFE-UHFFFAOYSA-N -1 3 371.344 3.312 20 0 FGADHM O=C(NCc1ccccc1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000602736106 506277899 /nfs/dbraw/zinc/27/78/99/506277899.db2.gz CCDHOUCYBBWVNJ-UHFFFAOYSA-N -1 3 357.207 3.221 20 0 FGADHM COC(=O)c1cc(F)cc([N-]C(=O)c2ncccc2OCC(F)F)c1F ZINC000478096421 501880219 /nfs/dbraw/zinc/88/02/19/501880219.db2.gz NBOHRRDFIQRDOC-UHFFFAOYSA-N -1 3 372.274 3.043 20 0 FGADHM CC(C)N1CCC[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000474572562 501880255 /nfs/dbraw/zinc/88/02/55/501880255.db2.gz GFTTVTFNHIGICW-LLVKDONJSA-N -1 3 351.299 3.145 20 0 FGADHM Cc1ccc([C@H]2CCC[C@H]2N(C)C(=O)c2ccc3c(c2)C(=O)[N-]C3=O)cc1 ZINC000464050488 501884778 /nfs/dbraw/zinc/88/47/78/501884778.db2.gz DMDIGLRFTCVULL-VQIMIIECSA-N -1 3 362.429 3.287 20 0 FGADHM CCCCc1nc(C(=O)OCC)c(NC(=O)c2c3ccccc3nn2C)[n-]1 ZINC000485703722 501907813 /nfs/dbraw/zinc/90/78/13/501907813.db2.gz XNGGHJOBJKZVSN-UHFFFAOYSA-N -1 3 369.425 3.068 20 0 FGADHM CCCCc1nc(NC(=O)c2c3ccccc3nn2C)c(C(=O)OCC)[n-]1 ZINC000485703722 501907817 /nfs/dbraw/zinc/90/78/17/501907817.db2.gz XNGGHJOBJKZVSN-UHFFFAOYSA-N -1 3 369.425 3.068 20 0 FGADHM CC[C@@H](CC(=O)NCc1nnc(C(F)(F)F)[n-]1)c1ccc(OC)cc1 ZINC000481913367 501916715 /nfs/dbraw/zinc/91/67/15/501916715.db2.gz NGVLXKQBVJMOLH-JTQLQIEISA-N -1 3 356.348 3.032 20 0 FGADHM CC[C@@H](CC(=O)NCc1n[n-]c(C(F)(F)F)n1)c1ccc(OC)cc1 ZINC000481913367 501916719 /nfs/dbraw/zinc/91/67/19/501916719.db2.gz NGVLXKQBVJMOLH-JTQLQIEISA-N -1 3 356.348 3.032 20 0 FGADHM CC[C@@H](CC(=O)NCc1nc(C(F)(F)F)n[n-]1)c1ccc(OC)cc1 ZINC000481913367 501916723 /nfs/dbraw/zinc/91/67/23/501916723.db2.gz NGVLXKQBVJMOLH-JTQLQIEISA-N -1 3 356.348 3.032 20 0 FGADHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-]CCC2=CCCCCC2)s1 ZINC000464190245 501917894 /nfs/dbraw/zinc/91/78/94/501917894.db2.gz UPEJXCPQWFQYIZ-UHFFFAOYSA-N -1 3 373.496 3.102 20 0 FGADHM O=C(C[N-]S(=O)(=O)c1ccc(F)cc1Cl)c1ccccc1Cl ZINC000464197454 501919739 /nfs/dbraw/zinc/91/97/39/501919739.db2.gz FMUNOTPAJRFEHT-UHFFFAOYSA-N -1 3 362.209 3.294 20 0 FGADHM O=S(=O)([N-]c1cc(Cl)ccc1OC[C@@H]1CCCO1)N1CCCCC1 ZINC000460830770 501931184 /nfs/dbraw/zinc/93/11/84/501931184.db2.gz TUYDYUSRSKLLEO-AWEZNQCLSA-N -1 3 374.890 3.040 20 0 FGADHM COc1ccc(OC)c(C(=O)Nc2nnc(-c3c(F)cccc3F)[n-]2)c1 ZINC000478318462 501940971 /nfs/dbraw/zinc/94/09/71/501940971.db2.gz XOKPMSZPDCIESB-UHFFFAOYSA-N -1 3 360.320 3.019 20 0 FGADHM COc1ccc(OC)c(C(=O)Nc2nc(-c3c(F)cccc3F)n[n-]2)c1 ZINC000478318462 501940973 /nfs/dbraw/zinc/94/09/73/501940973.db2.gz XOKPMSZPDCIESB-UHFFFAOYSA-N -1 3 360.320 3.019 20 0 FGADHM COc1ccc(OC)c(C(=O)Nc2n[n-]c(-c3c(F)cccc3F)n2)c1 ZINC000478318462 501940977 /nfs/dbraw/zinc/94/09/77/501940977.db2.gz XOKPMSZPDCIESB-UHFFFAOYSA-N -1 3 360.320 3.019 20 0 FGADHM COCC1(CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)CCC1 ZINC000460866797 501943311 /nfs/dbraw/zinc/94/33/11/501943311.db2.gz UNLISZLAOBXOMM-UHFFFAOYSA-N -1 3 356.451 3.430 20 0 FGADHM CCn1c(=O)[n-]nc1SCc1nc2ccc(Br)cc2o1 ZINC000460871263 501945425 /nfs/dbraw/zinc/94/54/25/501945425.db2.gz MJCVPPCAQIRDQX-UHFFFAOYSA-N -1 3 355.217 3.200 20 0 FGADHM CC[C@@H]1CC[C@H](C)N1C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482055490 501959235 /nfs/dbraw/zinc/95/92/35/501959235.db2.gz YPKOGQYLOABYTG-CMPLNLGQSA-N -1 3 351.248 3.314 20 0 FGADHM CCc1ncc(S(=O)(=O)[N-][C@@H]2CCO[C@H]2c2ccc(Cl)cc2)s1 ZINC000460941084 501964568 /nfs/dbraw/zinc/96/45/68/501964568.db2.gz ZNJVQHOZROQXBM-DOMZBBRYSA-N -1 3 372.899 3.167 20 0 FGADHM Cc1nc(C)c(S(=O)(=O)[N-]CCc2c(C)oc3ccccc32)s1 ZINC000464359933 501965912 /nfs/dbraw/zinc/96/59/12/501965912.db2.gz DGTYCXDICNYZGY-UHFFFAOYSA-N -1 3 350.465 3.336 20 0 FGADHM C[C@@H](NCc1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1)c1ccccc1Cl ZINC000482078808 501967449 /nfs/dbraw/zinc/96/74/49/501967449.db2.gz QMUBBPSCIOAQBD-BLVKFPJESA-N -1 3 357.841 3.245 20 0 FGADHM C[C@H]1CC[C@H](NC(=O)N=c2cc3ccc(Br)cn3[n-]2)CC1 ZINC000482087000 501970640 /nfs/dbraw/zinc/97/06/40/501970640.db2.gz YWYUJHJDBKNCJW-UMSPYCQHSA-N -1 3 351.248 3.219 20 0 FGADHM C[C@@H]1CCC[C@H](NC(=O)N=c2cc3ccc(Br)cn3[n-]2)C1 ZINC000482103339 501976560 /nfs/dbraw/zinc/97/65/60/501976560.db2.gz MPFFSJDKGOBTCD-PWSUYJOCSA-N -1 3 351.248 3.219 20 0 FGADHM O=C(NCc1ccc(C(=O)Nc2ccc(F)cc2)cc1)c1csc(=O)[n-]1 ZINC000471360204 501998546 /nfs/dbraw/zinc/99/85/46/501998546.db2.gz KXAHWYPJNVFBII-UHFFFAOYSA-N -1 3 371.393 3.170 20 0 FGADHM O=C(CNC(=O)c1cccc([O-])c1)N[C@@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000471391322 502008970 /nfs/dbraw/zinc/00/89/70/502008970.db2.gz QLUNSRJUSCZCLK-YLJYHZDGSA-N -1 3 366.461 3.040 20 0 FGADHM CC(C)Oc1c(Cl)cccc1NC(=O)CNC(=O)c1cccc([O-])c1 ZINC000471388352 502008996 /nfs/dbraw/zinc/00/89/96/502008996.db2.gz CCWDCEMRAPKQII-UHFFFAOYSA-N -1 3 362.813 3.201 20 0 FGADHM CC(C)Cn1ccc2cc(NC(=O)CNC(=O)c3cccc([O-])c3)ccc21 ZINC000471390203 502009106 /nfs/dbraw/zinc/00/91/06/502009106.db2.gz DYMHRHLIQZBIMJ-UHFFFAOYSA-N -1 3 365.433 3.371 20 0 FGADHM C[C@@H](NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)c1ccc2ncsc2c1 ZINC000485987440 502012053 /nfs/dbraw/zinc/01/20/53/502012053.db2.gz YBWZLGZAXLYRNC-SECBINFHSA-N -1 3 366.402 3.063 20 0 FGADHM C[C@@H]1[C@@H](Cc2ccccc2)CCN1C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000475034090 502028262 /nfs/dbraw/zinc/02/82/62/502028262.db2.gz MKMRJNAGVXMETO-UKRRQHHQSA-N -1 3 363.417 3.055 20 0 FGADHM COCc1cccc(S(=O)(=O)[N-]c2ccc(-n3cnc(C)c3C)cc2)c1 ZINC000461184746 502030366 /nfs/dbraw/zinc/03/03/66/502030366.db2.gz HRKYLMRFGPTRCT-UHFFFAOYSA-N -1 3 371.462 3.436 20 0 FGADHM Cc1ncn(-c2ccc([N-]S(=O)(=O)c3ccc4c(c3)COC4)cc2)c1C ZINC000461185435 502031667 /nfs/dbraw/zinc/03/16/67/502031667.db2.gz KOXHIMJUHBNKRL-UHFFFAOYSA-N -1 3 369.446 3.320 20 0 FGADHM COC(=O)c1ccc(C)c([N-]C(=O)c2noc(-c3cccc(OC)c3)n2)c1 ZINC000471459366 502034944 /nfs/dbraw/zinc/03/49/44/502034944.db2.gz ORUBHZHNLDSSLP-UHFFFAOYSA-N -1 3 367.361 3.093 20 0 FGADHM C[C@@H](CC(=O)Nc1ccccc1[N-]S(C)(=O)=O)c1ccccc1F ZINC000588635661 506289879 /nfs/dbraw/zinc/28/98/79/506289879.db2.gz WUWGRCCJASIPKX-LBPRGKRZSA-N -1 3 350.415 3.330 20 0 FGADHM CO[C@H](C)c1nc(C)c(C(=O)[N-]c2nc3cc(Cl)ccn3n2)s1 ZINC000464647939 502053896 /nfs/dbraw/zinc/05/38/96/502053896.db2.gz OCNNLVLTQQEQBT-MRVPVSSYSA-N -1 3 351.819 3.107 20 0 FGADHM CCc1onc(-c2ccccc2)c1C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000475119845 502067467 /nfs/dbraw/zinc/06/74/67/502067467.db2.gz OGHCQLGSWJUYBY-UHFFFAOYSA-N -1 3 351.288 3.293 20 0 FGADHM Cc1nc(-c2ccc(NC(=O)N(C)Cc3cccn3C)cc2)cc(=O)[n-]1 ZINC000471598128 502080854 /nfs/dbraw/zinc/08/08/54/502080854.db2.gz ISPWQVMYOZYRGM-UHFFFAOYSA-N -1 3 351.410 3.160 20 0 FGADHM CCc1cc(C(=O)N(CCOC)CCOc2ccc(F)cc2)ccc1[O-] ZINC000486225580 502089988 /nfs/dbraw/zinc/08/99/88/502089988.db2.gz CVQPUXDYTNNJSS-UHFFFAOYSA-N -1 3 361.413 3.261 20 0 FGADHM C[C@@H]1C[C@@H]1[C@H](NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)c1ccc(Cl)cc1 ZINC000461450490 502119626 /nfs/dbraw/zinc/11/96/26/502119626.db2.gz SSQJDVOKRPBPMZ-TYFHEEPYSA-N -1 3 368.820 3.351 20 0 FGADHM Cc1ccc(NC(=O)c2nn(-c3ccccc3F)cc2[O-])c(CN(C)C)c1 ZINC000468608465 502122952 /nfs/dbraw/zinc/12/29/52/502122952.db2.gz MOGFIYYLRIINRH-UHFFFAOYSA-N -1 3 368.412 3.339 20 0 FGADHM CS(=O)(=O)[N-]c1cc(NC(=O)c2cc(F)cc(Cl)c2)ccc1F ZINC000464855012 502123069 /nfs/dbraw/zinc/12/30/69/502123069.db2.gz PIKUGYILVKJOSC-UHFFFAOYSA-N -1 3 360.769 3.242 20 0 FGADHM C[C@H](COc1ccccc1C(F)(F)F)NC(=O)NCc1ncccc1[O-] ZINC000471739871 502124142 /nfs/dbraw/zinc/12/41/42/502124142.db2.gz XUHHACUAABYOIG-LLVKDONJSA-N -1 3 369.343 3.073 20 0 FGADHM CCCC[C@@H](CCC)NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000482610472 502125808 /nfs/dbraw/zinc/12/58/08/502125808.db2.gz CCAUYSDDBBYXDK-LLVKDONJSA-N -1 3 366.936 3.155 20 0 FGADHM CC(C)CN(CCN(C)C)C(=O)c1nn(-c2ccc(C(C)C)cc2)cc1[O-] ZINC000468616821 502126178 /nfs/dbraw/zinc/12/61/78/502126178.db2.gz CTEWKEBNTBHRLU-UHFFFAOYSA-N -1 3 372.513 3.361 20 0 FGADHM O=C(Nc1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1F)[C@H]1CC=CCC1 ZINC000461472385 502128034 /nfs/dbraw/zinc/12/80/34/502128034.db2.gz LFIBWTZBNMZQKR-JTQLQIEISA-N -1 3 372.849 3.215 20 0 FGADHM C[N-]S(=O)(=O)c1cc(NC(=O)NCC[C@@H]2CCCC[C@@H]2C)ccc1F ZINC000486404672 502144994 /nfs/dbraw/zinc/14/49/94/502144994.db2.gz KJFPGSOIFUHKNK-STQMWFEESA-N -1 3 371.478 3.072 20 0 FGADHM Cn1c2cc([O-])c(NC(=O)c3cc4c(s3)CCCCC4)cc2n(C)c1=O ZINC000461621026 502155741 /nfs/dbraw/zinc/15/57/41/502155741.db2.gz RIBPOOGYWXOCLI-UHFFFAOYSA-N -1 3 371.462 3.165 20 0 FGADHM COc1cn(-c2ccccc2)nc1C(=O)N=c1cc(-c2ccccc2)o[n-]1 ZINC000461651549 502163230 /nfs/dbraw/zinc/16/32/30/502163230.db2.gz XAJYFAMUUUSYMW-UHFFFAOYSA-N -1 3 360.373 3.210 20 0 FGADHM COc1c(C)cc(S(=O)(=O)[N-][C@@](C)(C2CC2)C(F)(F)F)cc1C ZINC000479127367 502170598 /nfs/dbraw/zinc/17/05/98/502170598.db2.gz HIMCVXYDDQNSKZ-AWEZNQCLSA-N -1 3 351.390 3.321 20 0 FGADHM COC(=O)c1cc(OC)ccc1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000468779816 502181181 /nfs/dbraw/zinc/18/11/81/502181181.db2.gz BKCGSHTXPBRWQC-UHFFFAOYSA-N -1 3 361.369 3.288 20 0 FGADHM CCC1CCC(CNC(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C)c2)CC1 ZINC000486539454 502184050 /nfs/dbraw/zinc/18/40/50/502184050.db2.gz PBURBAKROKAULM-UHFFFAOYSA-N -1 3 371.478 3.072 20 0 FGADHM CCC(O)(CC)CCNC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000471984975 502191985 /nfs/dbraw/zinc/19/19/85/502191985.db2.gz JIMSMOXYCRNOJA-UHFFFAOYSA-N -1 3 358.442 3.220 20 0 FGADHM C[C@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1ccc(-n2ccnn2)cc1 ZINC000468818083 502192996 /nfs/dbraw/zinc/19/29/96/502192996.db2.gz CVBKHILROMCYBU-AWEZNQCLSA-N -1 3 368.412 3.312 20 0 FGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H](OC)c1ccccc1 ZINC000486573570 502194067 /nfs/dbraw/zinc/19/40/67/502194067.db2.gz ITYGLTPWUCBIGC-HNNXBMFYSA-N -1 3 355.843 3.015 20 0 FGADHM CCc1cc(C(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2=O)ccc1[O-] ZINC000486577399 502196623 /nfs/dbraw/zinc/19/66/23/502196623.db2.gz TVMIYSICAVYNFD-MRXNPFEDSA-N -1 3 358.825 3.143 20 0 FGADHM Cc1cccc(F)c1S(=O)(=O)[N-][C@@H](CN1CCCC1)c1ccccc1 ZINC000475538167 502206834 /nfs/dbraw/zinc/20/68/34/502206834.db2.gz MCXDQBJBOLVNKE-SFHVURJKSA-N -1 3 362.470 3.250 20 0 FGADHM O=C(NCc1ncccc1[O-])N[C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000472040171 502207222 /nfs/dbraw/zinc/20/72/22/502207222.db2.gz ZUVVNSWDLNXMJU-SFHVURJKSA-N -1 3 368.824 3.424 20 0 FGADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)N[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000482890503 502208461 /nfs/dbraw/zinc/20/84/61/502208461.db2.gz VYCHCSZNHABICR-OLZOCXBDSA-N -1 3 367.375 3.349 20 0 FGADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)N[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000482890503 502208468 /nfs/dbraw/zinc/20/84/68/502208468.db2.gz VYCHCSZNHABICR-OLZOCXBDSA-N -1 3 367.375 3.349 20 0 FGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000482890503 502208474 /nfs/dbraw/zinc/20/84/74/502208474.db2.gz VYCHCSZNHABICR-OLZOCXBDSA-N -1 3 367.375 3.349 20 0 FGADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)N[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000482890502 502208517 /nfs/dbraw/zinc/20/85/17/502208517.db2.gz VYCHCSZNHABICR-CHWSQXEVSA-N -1 3 367.375 3.349 20 0 FGADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)N[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000482890502 502208523 /nfs/dbraw/zinc/20/85/23/502208523.db2.gz VYCHCSZNHABICR-CHWSQXEVSA-N -1 3 367.375 3.349 20 0 FGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000482890502 502208528 /nfs/dbraw/zinc/20/85/28/502208528.db2.gz VYCHCSZNHABICR-CHWSQXEVSA-N -1 3 367.375 3.349 20 0 FGADHM Cc1nc(C)c(CCC(=O)Nc2cnn(-c3ccc(Cl)cc3)c2)c(=O)[n-]1 ZINC000479282615 502214432 /nfs/dbraw/zinc/21/44/32/502214432.db2.gz OFZOFRTZMZDASM-UHFFFAOYSA-N -1 3 371.828 3.209 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]Cc2ccc(OC(C)(C)C)nc2)c(F)cc1F ZINC000486633997 502214721 /nfs/dbraw/zinc/21/47/21/502214721.db2.gz SXWUPTFOCXDOQU-UHFFFAOYSA-N -1 3 370.421 3.324 20 0 FGADHM Cc1cccc(F)c1S(=O)(=O)[N-][C@@H](C)COc1ccc(F)cc1F ZINC000475568098 502215114 /nfs/dbraw/zinc/21/51/14/502215114.db2.gz MHDIFWGVYXEVOG-NSHDSACASA-N -1 3 359.369 3.158 20 0 FGADHM CCc1cnccc1C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000486636331 502216267 /nfs/dbraw/zinc/21/62/67/502216267.db2.gz ZTZCGDRXGBVGDS-UHFFFAOYSA-N -1 3 362.348 3.280 20 0 FGADHM CC[C@@H](C)c1nc([C@H](C)[N-]S(=O)(=O)c2ccc(F)cc2Cl)n[nH]1 ZINC000486636369 502216419 /nfs/dbraw/zinc/21/64/19/502216419.db2.gz DLYAYEPIRSXSDQ-BDAKNGLRSA-N -1 3 360.842 3.150 20 0 FGADHM CC[C@@H](C)c1nc([C@H](C)[N-]S(=O)(=O)c2ccc(C)cc2Cl)n[nH]1 ZINC000486640011 502217261 /nfs/dbraw/zinc/21/72/61/502217261.db2.gz WKDHEWHVYGZJIV-MNOVXSKESA-N -1 3 356.879 3.320 20 0 FGADHM CCc1cc(C(=O)NCc2cc(OC)ccc2OC(F)F)ccc1[O-] ZINC000486650308 502220233 /nfs/dbraw/zinc/22/02/33/502220233.db2.gz KKZQUUQCOUENDR-UHFFFAOYSA-N -1 3 351.349 3.495 20 0 FGADHM Cc1ccccc1O[C@@H]1CCCC[C@@H]1NC(=O)NCc1ncccc1[O-] ZINC000472071531 502220285 /nfs/dbraw/zinc/22/02/85/502220285.db2.gz DSUORBAIAJBMBA-HNAYVOBHSA-N -1 3 355.438 3.285 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]Cc2ccc(OC(C)(C)C)nc2)c(F)c1 ZINC000486663091 502224165 /nfs/dbraw/zinc/22/41/65/502224165.db2.gz XSEVCFYQHHRYNL-UHFFFAOYSA-N -1 3 352.431 3.185 20 0 FGADHM O=S(=O)([N-]C[C@@H]1[C@@H]2Cc3ccccc3[C@H]12)c1cccc(Cl)c1F ZINC000486680369 502229425 /nfs/dbraw/zinc/22/94/25/502229425.db2.gz KULYCUBSEGVMEO-ZENOOKHLSA-N -1 3 351.830 3.343 20 0 FGADHM CS(=O)(=O)Cc1cccc(NC(=O)CCCc2ccc([O-])c(F)c2)c1 ZINC000468935006 502236154 /nfs/dbraw/zinc/23/61/54/502236154.db2.gz NCFDJQFWWNFKBB-UHFFFAOYSA-N -1 3 365.426 3.037 20 0 FGADHM COc1ccc2c(c1)[n-]cc(C(=O)N1CCOC3(C1)CCCCCC3)c2=O ZINC000479381311 502240848 /nfs/dbraw/zinc/24/08/48/502240848.db2.gz UIQJXAQPAJDMEK-UHFFFAOYSA-N -1 3 370.449 3.102 20 0 FGADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)N[C@@H](c1ccccc1)C1CCC1 ZINC000483002459 502241783 /nfs/dbraw/zinc/24/17/83/502241783.db2.gz WGYNSQBOJDEOQX-ZDUSSCGKSA-N -1 3 353.348 3.164 20 0 FGADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)N[C@@H](c1ccccc1)C1CCC1 ZINC000483002459 502241789 /nfs/dbraw/zinc/24/17/89/502241789.db2.gz WGYNSQBOJDEOQX-ZDUSSCGKSA-N -1 3 353.348 3.164 20 0 FGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N[C@@H](c1ccccc1)C1CCC1 ZINC000483002459 502241795 /nfs/dbraw/zinc/24/17/95/502241795.db2.gz WGYNSQBOJDEOQX-ZDUSSCGKSA-N -1 3 353.348 3.164 20 0 FGADHM CCC(C)(CC)NC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000472150619 502249547 /nfs/dbraw/zinc/24/95/47/502249547.db2.gz CBODBTFWVPTCNS-UHFFFAOYSA-N -1 3 366.405 3.385 20 0 FGADHM CCOc1ccc(NC(=O)CNC(=O)CCCc2ccc([O-])c(F)c2)cc1 ZINC000468999448 502258240 /nfs/dbraw/zinc/25/82/40/502258240.db2.gz QHPQTRIOMSQFIS-UHFFFAOYSA-N -1 3 374.412 3.008 20 0 FGADHM CCOC(=O)c1ccc(NC(=O)c2cnnc(-c3ccccc3)c2)c([O-])c1 ZINC000486805887 502268593 /nfs/dbraw/zinc/26/85/93/502268593.db2.gz ZUUCFGAIJCQTLU-UHFFFAOYSA-N -1 3 363.373 3.278 20 0 FGADHM Cc1cc(F)c(S(=O)(=O)[N-][C@H](C)c2ccc3c(c2)OCO3)cc1F ZINC000475740031 502274808 /nfs/dbraw/zinc/27/48/08/502274808.db2.gz YSIIJNVFSILOKC-SNVBAGLBSA-N -1 3 355.362 3.041 20 0 FGADHM CC[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(OC)ccc1Br ZINC000465504732 502280966 /nfs/dbraw/zinc/28/09/66/502280966.db2.gz SBLKFVOOWATUQX-GWCFXTLKSA-N -1 3 362.289 3.315 20 0 FGADHM CCO[C@H](C)c1ncc(C(=O)[N-]c2nc(C)c(C(=O)OC)s2)s1 ZINC000479513301 502281016 /nfs/dbraw/zinc/28/10/16/502281016.db2.gz DMJOUSPTQCWHOP-MRVPVSSYSA-N -1 3 355.441 3.044 20 0 FGADHM O=C(N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1)c1csc(=O)[nH]1 ZINC000472268880 502291954 /nfs/dbraw/zinc/29/19/54/502291954.db2.gz KMIFTTCEMBPUND-UHFFFAOYSA-N -1 3 355.206 3.220 20 0 FGADHM CC(C)[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)CCO1 ZINC000462073367 502295600 /nfs/dbraw/zinc/29/56/00/502295600.db2.gz IDBURRWDYXRJFE-NXEZZACHSA-N -1 3 357.419 3.249 20 0 FGADHM C[C@H]1CC[C@H](C)N1C(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000472319502 502313113 /nfs/dbraw/zinc/31/31/13/502313113.db2.gz POMHWECSMVHZFO-UWVGGRQHSA-N -1 3 364.389 3.090 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-]C[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000472328155 502317335 /nfs/dbraw/zinc/31/73/35/502317335.db2.gz PKOPZBPMRAVMCH-UWVGGRQHSA-N -1 3 357.419 3.404 20 0 FGADHM CC(C)(C)OC(=O)[C@H]1CCN(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000469153182 502317433 /nfs/dbraw/zinc/31/74/33/502317433.db2.gz LUDNAYQMAWKVMY-AWEZNQCLSA-N -1 3 351.418 3.044 20 0 FGADHM CC[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1O[C@@H](C)COC ZINC000469157185 502318638 /nfs/dbraw/zinc/31/86/38/502318638.db2.gz XYXGLPAEGZUNLU-RWMBFGLXSA-N -1 3 363.907 3.467 20 0 FGADHM CO[C@](C)(C[N-]S(=O)(=O)Cc1ccc(Cl)cc1Cl)C1CC1 ZINC000462131002 502318713 /nfs/dbraw/zinc/31/87/13/502318713.db2.gz LLTCJFRJEWZANG-CQSZACIVSA-N -1 3 352.283 3.228 20 0 FGADHM CCc1csc(NC(=O)NCc2ccc([O-])c(Br)c2)n1 ZINC000483242937 502324614 /nfs/dbraw/zinc/32/46/14/502324614.db2.gz YHELBNUHQDZPNV-UHFFFAOYSA-N -1 3 356.245 3.495 20 0 FGADHM Cc1cccc2c(=O)c(C(=O)Nc3nnc(CC(F)(F)F)s3)c[n-]c12 ZINC000483261966 502331912 /nfs/dbraw/zinc/33/19/12/502331912.db2.gz JJDSKTJZEDDOST-UHFFFAOYSA-N -1 3 368.340 3.045 20 0 FGADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@@H]1CCN(CC(F)(F)F)C1 ZINC000472401560 502342310 /nfs/dbraw/zinc/34/23/10/502342310.db2.gz HFJXOSSDBRQYFQ-MRVPVSSYSA-N -1 3 356.266 3.234 20 0 FGADHM O=C(Nc1cc(C(F)(F)F)ccc1[O-])[C@H]1CCN(CC(F)(F)F)C1 ZINC000472425968 502348226 /nfs/dbraw/zinc/34/82/26/502348226.db2.gz LVHDMHVUVWMYPB-QMMMGPOBSA-N -1 3 356.266 3.234 20 0 FGADHM CCc1[n-][nH]c(=NC(=O)[C@H]2C[C@]2(C)C(C)C)c1-c1ccc2c(c1)OCO2 ZINC000483331864 502351897 /nfs/dbraw/zinc/35/18/97/502351897.db2.gz AHIGBRMWUDMAGW-ZUOKHONESA-N -1 3 355.438 3.410 20 0 FGADHM CC(C)Cn1cnc(S(=O)(=O)[N-][C@H](C)c2c(F)cccc2Cl)c1 ZINC000487115581 502363550 /nfs/dbraw/zinc/36/35/50/502363550.db2.gz IJDFCAXGCQNZBZ-LLVKDONJSA-N -1 3 359.854 3.371 20 0 FGADHM O=S(=O)([N-]C[C@@H]1SCCc2ccccc21)c1ccc(F)c(F)c1 ZINC000487123506 502366646 /nfs/dbraw/zinc/36/66/46/502366646.db2.gz HLEJXZXDSBQVQK-INIZCTEOSA-N -1 3 355.431 3.274 20 0 FGADHM COc1cccc(C2=CCN(C(=O)c3c[n-]c4c(C)cccc4c3=O)C2)c1 ZINC000483379771 502366809 /nfs/dbraw/zinc/36/68/09/502366809.db2.gz MPEBDFKZJPHQQP-UHFFFAOYSA-N -1 3 360.413 3.385 20 0 FGADHM O=C(C[C@@H]1OCCc2ccccc21)Nc1nnc(-c2c(F)cccc2F)[n-]1 ZINC000479766372 502370820 /nfs/dbraw/zinc/37/08/20/502370820.db2.gz MBCZGYBQDHFPNA-HNNXBMFYSA-N -1 3 370.359 3.393 20 0 FGADHM O=C(C[C@@H]1OCCc2ccccc21)Nc1nc(-c2c(F)cccc2F)n[n-]1 ZINC000479766372 502370824 /nfs/dbraw/zinc/37/08/24/502370824.db2.gz MBCZGYBQDHFPNA-HNNXBMFYSA-N -1 3 370.359 3.393 20 0 FGADHM O=C(C[C@@H]1OCCc2ccccc21)Nc1n[n-]c(-c2c(F)cccc2F)n1 ZINC000479766372 502370828 /nfs/dbraw/zinc/37/08/28/502370828.db2.gz MBCZGYBQDHFPNA-HNNXBMFYSA-N -1 3 370.359 3.393 20 0 FGADHM C[C@H]1OCC[C@]1(C)[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000469323009 502375030 /nfs/dbraw/zinc/37/50/30/502375030.db2.gz YJUOFDOZXAIHCO-PXAZEXFGSA-N -1 3 373.902 3.365 20 0 FGADHM Cc1ccc(OCCC[N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)cc1 ZINC000462268785 502375204 /nfs/dbraw/zinc/37/52/04/502375204.db2.gz MHLYHYUAVYOMPU-UHFFFAOYSA-N -1 3 359.369 3.160 20 0 FGADHM Cc1cc(C(=O)[N-]c2ccccc2SCC(N)=O)c(C(F)(F)F)o1 ZINC000472544279 502381214 /nfs/dbraw/zinc/38/12/14/502381214.db2.gz SKJRPRBXFUPBLU-UHFFFAOYSA-N -1 3 358.341 3.437 20 0 FGADHM CO[C@H](C)CC[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000469340603 502381619 /nfs/dbraw/zinc/38/16/19/502381619.db2.gz RJTKYQDLOXFPQB-GFCCVEGCSA-N -1 3 361.891 3.222 20 0 FGADHM COC(=O)C[C@](C)(NCc1cc([O-])cc(C(F)(F)F)c1)c1ccccn1 ZINC000602815973 506311152 /nfs/dbraw/zinc/31/11/52/506311152.db2.gz GXGXLLLXORMFKS-KRWDZBQOSA-N -1 3 368.355 3.374 20 0 FGADHM O=S(=O)(Cc1ccc(Cl)cc1Cl)[N-][C@@H](CO)c1ccsc1 ZINC000472682229 502417543 /nfs/dbraw/zinc/41/75/43/502417543.db2.gz CFJGOVZNGNMDEC-ZDUSSCGKSA-N -1 3 366.291 3.208 20 0 FGADHM CC(C)[C@@H](c1ccccc1)N(C)C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000483539738 502424782 /nfs/dbraw/zinc/42/47/82/502424782.db2.gz FMTVBCIUXQUTJC-ZDUSSCGKSA-N -1 3 355.364 3.362 20 0 FGADHM CC(C)[C@@H](c1ccccc1)N(C)C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000483539738 502424787 /nfs/dbraw/zinc/42/47/87/502424787.db2.gz FMTVBCIUXQUTJC-ZDUSSCGKSA-N -1 3 355.364 3.362 20 0 FGADHM CC(C)[C@@H](c1ccccc1)N(C)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000483539738 502424791 /nfs/dbraw/zinc/42/47/91/502424791.db2.gz FMTVBCIUXQUTJC-ZDUSSCGKSA-N -1 3 355.364 3.362 20 0 FGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]CC2(CO)CCCC2)c1Cl ZINC000472715090 502424989 /nfs/dbraw/zinc/42/49/89/502424989.db2.gz QXAFSSJUWBEXJO-UHFFFAOYSA-N -1 3 352.283 3.133 20 0 FGADHM C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000483538208 502425780 /nfs/dbraw/zinc/42/57/80/502425780.db2.gz AXYZLCICVZXPEX-KOLCDFICSA-N -1 3 371.338 3.050 20 0 FGADHM C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000483538208 502425783 /nfs/dbraw/zinc/42/57/83/502425783.db2.gz AXYZLCICVZXPEX-KOLCDFICSA-N -1 3 371.338 3.050 20 0 FGADHM C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000483538208 502425786 /nfs/dbraw/zinc/42/57/86/502425786.db2.gz AXYZLCICVZXPEX-KOLCDFICSA-N -1 3 371.338 3.050 20 0 FGADHM C[C@H]1CCN(C(=O)NCc2nnc(C(F)(F)F)[n-]2)[C@@H]1c1cccc(F)c1 ZINC000483548028 502428083 /nfs/dbraw/zinc/42/80/83/502428083.db2.gz WBTQAYSHEFUEJE-ZANVPECISA-N -1 3 371.338 3.255 20 0 FGADHM C[C@H]1CCN(C(=O)NCc2n[n-]c(C(F)(F)F)n2)[C@@H]1c1cccc(F)c1 ZINC000483548028 502428085 /nfs/dbraw/zinc/42/80/85/502428085.db2.gz WBTQAYSHEFUEJE-ZANVPECISA-N -1 3 371.338 3.255 20 0 FGADHM C[C@H]1CCN(C(=O)NCc2nc(C(F)(F)F)n[n-]2)[C@@H]1c1cccc(F)c1 ZINC000483548028 502428091 /nfs/dbraw/zinc/42/80/91/502428091.db2.gz WBTQAYSHEFUEJE-ZANVPECISA-N -1 3 371.338 3.255 20 0 FGADHM CN(Cc1cccc2ccccc21)C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000483547547 502428292 /nfs/dbraw/zinc/42/82/92/502428292.db2.gz VOPMSSSDKZZAKV-UHFFFAOYSA-N -1 3 363.343 3.318 20 0 FGADHM CN(Cc1cccc2ccccc21)C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000483547547 502428299 /nfs/dbraw/zinc/42/82/99/502428299.db2.gz VOPMSSSDKZZAKV-UHFFFAOYSA-N -1 3 363.343 3.318 20 0 FGADHM CN(Cc1cccc2ccccc21)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000483547547 502428305 /nfs/dbraw/zinc/42/83/05/502428305.db2.gz VOPMSSSDKZZAKV-UHFFFAOYSA-N -1 3 363.343 3.318 20 0 FGADHM C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000483581791 502436470 /nfs/dbraw/zinc/43/64/70/502436470.db2.gz NJUXUUOQECPKRQ-SSDOTTSWSA-N -1 3 363.290 3.004 20 0 FGADHM C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000483581791 502436474 /nfs/dbraw/zinc/43/64/74/502436474.db2.gz NJUXUUOQECPKRQ-SSDOTTSWSA-N -1 3 363.290 3.004 20 0 FGADHM C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000483581791 502436478 /nfs/dbraw/zinc/43/64/78/502436478.db2.gz NJUXUUOQECPKRQ-SSDOTTSWSA-N -1 3 363.290 3.004 20 0 FGADHM O=C([N-]c1csc2ccccc12)c1nc2ncc(Br)cn2n1 ZINC000487479318 502454204 /nfs/dbraw/zinc/45/42/04/502454204.db2.gz XYGQMMDECPETGR-UHFFFAOYSA-N -1 3 374.223 3.354 20 0 FGADHM CCn1cc(S(=O)(=O)[N-][C@H]2CC=C(c3ccc(F)cc3)CC2)nc1C ZINC000480050457 502457936 /nfs/dbraw/zinc/45/79/36/502457936.db2.gz YBLSXRKTCNSDBN-KRWDZBQOSA-N -1 3 363.458 3.265 20 0 FGADHM COc1cc2c(cc1NC(=O)CCCc1ccc([O-])c(F)c1)NC(=O)CC2 ZINC000469560008 502462689 /nfs/dbraw/zinc/46/26/89/502462689.db2.gz GOPQEEPIWAVKCL-UHFFFAOYSA-N -1 3 372.396 3.386 20 0 FGADHM O=S(=O)([N-]Cc1c(F)cccc1Cl)c1cc(F)c(F)c(F)c1 ZINC000462520945 502473757 /nfs/dbraw/zinc/47/37/57/502473757.db2.gz NEQVXXOXGBTHMQ-UHFFFAOYSA-N -1 3 353.724 3.375 20 0 FGADHM CCN(CC)[C@@H](CN=c1[n-]nc(C(F)(F)F)s1)Cc1ccccc1 ZINC000480114981 502477035 /nfs/dbraw/zinc/47/70/35/502477035.db2.gz WDCAIJXHZKKKTE-CYBMUJFWSA-N -1 3 358.433 3.344 20 0 FGADHM COc1cc(C(=O)N=c2[nH]n([C@@H](C)c3ccccc3)cc2C)ccc1[O-] ZINC000472955765 502482441 /nfs/dbraw/zinc/48/24/41/502482441.db2.gz UBNYPEHDIDHBAG-AWEZNQCLSA-N -1 3 351.406 3.189 20 0 FGADHM CCc1cc(C(=O)N[C@@H](CO)c2ccccc2OC(F)(F)F)ccc1[O-] ZINC000487581991 502485076 /nfs/dbraw/zinc/48/50/76/502485076.db2.gz KUSWBFSHELTJOX-AWEZNQCLSA-N -1 3 369.339 3.317 20 0 FGADHM COc1ccc(O[C@@H](C)C[N-]S(=O)(=O)c2cccc(Cl)c2F)cc1 ZINC000462596422 502499779 /nfs/dbraw/zinc/49/97/79/502499779.db2.gz VYAZDOTVVYBLRX-NSHDSACASA-N -1 3 373.833 3.234 20 0 FGADHM Cc1cccc(F)c1S(=O)(=O)[N-][C@H]1CCCOc2cc(F)ccc21 ZINC000476494533 502503991 /nfs/dbraw/zinc/50/39/91/502503991.db2.gz SQXUFZQVCGDXTR-HNNXBMFYSA-N -1 3 353.390 3.465 20 0 FGADHM O=C(Nc1ccc2c(c1)CCO2)[C@H]1CCCCN1Cc1cc([O-])cc(F)c1 ZINC000473149420 502529548 /nfs/dbraw/zinc/52/95/48/502529548.db2.gz SVQZWYHMQIOGCP-LJQANCHMSA-N -1 3 370.424 3.459 20 0 FGADHM CC(C)Oc1ccc(NC(=O)NCCCNC(=O)c2cccc([O-])c2)cc1 ZINC000480354113 502544203 /nfs/dbraw/zinc/54/42/03/502544203.db2.gz FEAYDBBULFOIPL-UHFFFAOYSA-N -1 3 371.437 3.121 20 0 FGADHM COc1cccc(O[C@@H](C)C[N-]S(=O)(=O)c2ccc(Cl)cc2F)c1 ZINC000462718528 502548481 /nfs/dbraw/zinc/54/84/81/502548481.db2.gz BYNLTDXGJFHMTE-NSHDSACASA-N -1 3 373.833 3.234 20 0 FGADHM COc1cccc(-c2nc(C(=O)[N-]c3cc(F)cc(F)c3OC)no2)c1 ZINC000473260563 502553139 /nfs/dbraw/zinc/55/31/39/502553139.db2.gz HMIITYFGLLQLEZ-UHFFFAOYSA-N -1 3 361.304 3.284 20 0 FGADHM Cc1cc(C(=O)NCc2ccnc(Oc3cccc(C)c3C)c2)[n-]c(=O)n1 ZINC000476700814 502567333 /nfs/dbraw/zinc/56/73/33/502567333.db2.gz LZWNIAGCCLILLU-UHFFFAOYSA-N -1 3 364.405 3.225 20 0 FGADHM CCOc1nc2cc(C(=O)N[C@H](C)CC(=O)c3cccs3)ccc2[n-]1 ZINC000469897683 502588679 /nfs/dbraw/zinc/58/86/79/502588679.db2.gz FMKMNSZJCDUXNU-LLVKDONJSA-N -1 3 357.435 3.414 20 0 FGADHM CCOc1nc2ccc(C(=O)N[C@H](C)CC(=O)c3cccs3)cc2[n-]1 ZINC000469897683 502588683 /nfs/dbraw/zinc/58/86/83/502588683.db2.gz FMKMNSZJCDUXNU-LLVKDONJSA-N -1 3 357.435 3.414 20 0 FGADHM COC(=O)c1cc(C(=O)[N-]c2nnc(-c3cc(F)ccc3C)s2)ccn1 ZINC000473419465 502589835 /nfs/dbraw/zinc/58/98/35/502589835.db2.gz GAWABTCKIDUZCK-UHFFFAOYSA-N -1 3 372.381 3.087 20 0 FGADHM COC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@H]2CCCc3sccc32)c1 ZINC000466511528 502592367 /nfs/dbraw/zinc/59/23/67/502592367.db2.gz BWYLZWJMFIGXRF-AWEZNQCLSA-N -1 3 369.439 3.030 20 0 FGADHM O=C(Nc1cc(Cc2ccccc2)ccc1[O-])C1CN(CC(F)(F)F)C1 ZINC000484188257 502596147 /nfs/dbraw/zinc/59/61/47/502596147.db2.gz GFVXCNHPAOZLAH-UHFFFAOYSA-N -1 3 364.367 3.416 20 0 FGADHM COc1cc(F)c([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1OC ZINC000592986454 506324089 /nfs/dbraw/zinc/32/40/89/506324089.db2.gz FPIZICRXVTVKPG-UHFFFAOYSA-N -1 3 363.769 3.436 20 0 FGADHM CCN(Cc1ccc(OC)cc1)C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000480592925 502613311 /nfs/dbraw/zinc/61/33/11/502613311.db2.gz AVFMVJBZYWEMRE-UHFFFAOYSA-N -1 3 372.371 3.477 20 0 FGADHM COc1cc2nc(-c3ccc(Br)s3)[n-]c(=O)c2c(OC)c1 ZINC000469990044 502619925 /nfs/dbraw/zinc/61/99/25/502619925.db2.gz ITTUAWINMDYSSU-UHFFFAOYSA-N -1 3 367.224 3.431 20 0 FGADHM COCCC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(C)cc1F ZINC000480612928 502621678 /nfs/dbraw/zinc/62/16/78/502621678.db2.gz OLJPYAHJMYYWKJ-KRWDZBQOSA-N -1 3 365.470 3.450 20 0 FGADHM O=S(=O)([N-][C@H]1CC[C@H](c2ccc(F)cc2)C1)c1cncc(Cl)c1 ZINC000480725872 502654206 /nfs/dbraw/zinc/65/42/06/502654206.db2.gz FOFHWETYNFNGSF-WFASDCNBSA-N -1 3 354.834 3.489 20 0 FGADHM Cc1sc2ccc(Cl)cc2c1S(=O)(=O)NCc1ncccc1[O-] ZINC000480734187 502655704 /nfs/dbraw/zinc/65/57/04/502655704.db2.gz VJGMWNNWRSMTRH-UHFFFAOYSA-N -1 3 368.867 3.442 20 0 FGADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H](C)CCC(=O)OC(C)C ZINC000480749708 502661154 /nfs/dbraw/zinc/66/11/54/502661154.db2.gz KWELWBQKVOFGKH-NSHDSACASA-N -1 3 371.430 3.279 20 0 FGADHM CC(C)OC(=O)CC[C@H](C)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000480751121 502662090 /nfs/dbraw/zinc/66/20/90/502662090.db2.gz UXWQNFRGBYSHAL-JTQLQIEISA-N -1 3 368.282 3.392 20 0 FGADHM Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)NCc1ncccc1[O-] ZINC000473637088 502662731 /nfs/dbraw/zinc/66/27/31/502662731.db2.gz UBIQNYGYHZYIIP-UHFFFAOYSA-N -1 3 361.373 3.427 20 0 FGADHM O=C(CCC(=O)c1cc(Cl)sc1Cl)NCc1ncccc1[O-] ZINC000473643890 502665532 /nfs/dbraw/zinc/66/55/32/502665532.db2.gz SZANCVUAKLIJIQ-UHFFFAOYSA-N -1 3 359.234 3.435 20 0 FGADHM O=C(Cc1cc(F)c(F)cc1F)Nc1nnc(-c2c(F)cccc2F)[n-]1 ZINC000488233860 502665737 /nfs/dbraw/zinc/66/57/37/502665737.db2.gz QEGOHZFHPNJZDM-UHFFFAOYSA-N -1 3 368.265 3.348 20 0 FGADHM O=C(Cc1cc(F)c(F)cc1F)Nc1nc(-c2c(F)cccc2F)n[n-]1 ZINC000488233860 502665741 /nfs/dbraw/zinc/66/57/41/502665741.db2.gz QEGOHZFHPNJZDM-UHFFFAOYSA-N -1 3 368.265 3.348 20 0 FGADHM O=C(Cc1cc(F)c(F)cc1F)Nc1n[n-]c(-c2c(F)cccc2F)n1 ZINC000488233860 502665743 /nfs/dbraw/zinc/66/57/43/502665743.db2.gz QEGOHZFHPNJZDM-UHFFFAOYSA-N -1 3 368.265 3.348 20 0 FGADHM O=c1[n-]c(CN2CCc3ccc(O)cc3CC2)nc2c3ccccc3oc21 ZINC000588754309 506327409 /nfs/dbraw/zinc/32/74/09/506327409.db2.gz UKJNYWGXODDUJX-UHFFFAOYSA-N -1 3 361.401 3.388 20 0 FGADHM O=C(NCc1ccc([O-])c(Br)c1)c1ccc(OC(F)F)cn1 ZINC000477118940 502682407 /nfs/dbraw/zinc/68/24/07/502682407.db2.gz HHAYEYXDLOHOLR-UHFFFAOYSA-N -1 3 373.153 3.081 20 0 FGADHM CC(C)(C)N=c1[n-]nc(Cn2ccc3ccccc32)n1C[C@H]1CCCO1 ZINC000463099269 502694538 /nfs/dbraw/zinc/69/45/38/502694538.db2.gz PWIOBHSADRFMJF-MRXNPFEDSA-N -1 3 353.470 3.092 20 0 FGADHM CCOc1ccc(NC(=O)NCc2ncccc2[O-])cc1Br ZINC000470267295 502719998 /nfs/dbraw/zinc/71/99/98/502719998.db2.gz PMKUOJTUYXKDPK-UHFFFAOYSA-N -1 3 366.215 3.270 20 0 FGADHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1cc(-c2ccccc2Cl)on1 ZINC000473850279 502724304 /nfs/dbraw/zinc/72/43/04/502724304.db2.gz NLSCIGUGPVBRDO-AWEZNQCLSA-N -1 3 358.785 3.244 20 0 FGADHM CCN=c1[n-]c(C(=O)N[C@@H](c2ccc(C)cc2)c2ccccn2)cs1 ZINC000473857663 502727064 /nfs/dbraw/zinc/72/70/64/502727064.db2.gz TWFMBJHKXKPSRG-KRWDZBQOSA-N -1 3 352.463 3.220 20 0 FGADHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1cc(-c2ccc(Cl)cc2)on1 ZINC000473857092 502727739 /nfs/dbraw/zinc/72/77/39/502727739.db2.gz RDBQWWKWGBLMBA-AWEZNQCLSA-N -1 3 358.785 3.244 20 0 FGADHM CS(=O)(=O)[N-]c1cc(C(=O)Nc2cccc(O)c2)cc(C(F)(F)F)c1 ZINC000477281267 502728068 /nfs/dbraw/zinc/72/80/68/502728068.db2.gz VMWUXSUYHKKDNA-UHFFFAOYSA-N -1 3 374.340 3.035 20 0 FGADHM CC1(C)[C@H](O)CCN1Cc1nc(=O)c2cc(-c3ccccc3)sc2[n-]1 ZINC000463231574 502728384 /nfs/dbraw/zinc/72/83/84/502728384.db2.gz XSHUEPRMXRTKGI-OAHLLOKOSA-N -1 3 355.463 3.409 20 0 FGADHM Cc1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1ccnc(N(C)C)c1 ZINC000481054700 502742398 /nfs/dbraw/zinc/74/23/98/502742398.db2.gz RBKBYMXVVDTMDV-UHFFFAOYSA-N -1 3 359.373 3.276 20 0 FGADHM COc1ccc(OCC[N-]S(=O)(=O)c2cc(C)c(Cl)s2)cc1 ZINC000473904989 502743935 /nfs/dbraw/zinc/74/39/35/502743935.db2.gz LXDYMEYTPTUVHN-UHFFFAOYSA-N -1 3 361.872 3.076 20 0 FGADHM COc1ccc(S(=O)(=O)[N-][C@H](C)c2c(F)cccc2OC)c(F)c1 ZINC000481061229 502744643 /nfs/dbraw/zinc/74/46/43/502744643.db2.gz OYXIAUXZOWHLAF-SNVBAGLBSA-N -1 3 357.378 3.022 20 0 FGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCCc3c[nH]nc32)c1Cl ZINC000481068481 502746491 /nfs/dbraw/zinc/74/64/91/502746491.db2.gz BTRVDFNTHGRASY-NSHDSACASA-N -1 3 360.266 3.381 20 0 FGADHM CCO[C@@H]1C[C@@H](NC(=O)Cc2ccc(Br)cc2[O-])C12CCC2 ZINC000477348186 502749749 /nfs/dbraw/zinc/74/97/49/502749749.db2.gz GABUHCRKCRQXJB-HUUCEWRRSA-N -1 3 368.271 3.161 20 0 FGADHM CCc1cc(=O)[n-]c(CS[C@H]2CCCN(c3cccc(F)c3)C2=O)n1 ZINC000477353651 502752223 /nfs/dbraw/zinc/75/22/23/502752223.db2.gz UFIKCJRRVYJPLD-HNNXBMFYSA-N -1 3 361.442 3.313 20 0 FGADHM CN(C)c1nc(C(=O)N(Cc2ccccc2)Cc2ccccc2)cc(=O)[n-]1 ZINC000463321779 502756019 /nfs/dbraw/zinc/75/60/19/502756019.db2.gz RHMNWHKCUAUMEU-UHFFFAOYSA-N -1 3 362.433 3.091 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-][C@@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000473946053 502758982 /nfs/dbraw/zinc/75/89/82/502758982.db2.gz BUSUUOQBTHXRIN-BBRMVZONSA-N -1 3 368.524 3.035 20 0 FGADHM CN(C)c1nc(C(=O)N(C)c2ccc(Oc3ccccc3)cc2)cc(=O)[n-]1 ZINC000463334555 502761905 /nfs/dbraw/zinc/76/19/05/502761905.db2.gz QGTDXACLLUZZLE-UHFFFAOYSA-N -1 3 364.405 3.317 20 0 FGADHM C[C@@H]1CCc2c(sc([N-]C(=O)c3ncn(C)n3)c2C(=O)c2ccco2)C1 ZINC000463350959 502767237 /nfs/dbraw/zinc/76/72/37/502767237.db2.gz YCLUOIHOZKJJAX-SNVBAGLBSA-N -1 3 370.434 3.078 20 0 FGADHM CCn1cnc(S(=O)(=O)[N-]Cc2cccc(Oc3ccccc3)c2)c1 ZINC000474035429 502786006 /nfs/dbraw/zinc/78/60/06/502786006.db2.gz RQIKVHQZQQTTRH-UHFFFAOYSA-N -1 3 357.435 3.174 20 0 FGADHM O=S(=O)([N-]CCCOc1ccc(F)cc1)c1cc(F)ccc1Cl ZINC000488798004 502811479 /nfs/dbraw/zinc/81/14/79/502811479.db2.gz SVGAGLRKDODBHW-UHFFFAOYSA-N -1 3 361.797 3.366 20 0 FGADHM COC(=O)CSCc1cccc([N-]S(=O)(=O)c2ccc(C)cc2)c1 ZINC000485075527 502813289 /nfs/dbraw/zinc/81/32/89/502813289.db2.gz DKIXZXFASBDEAY-UHFFFAOYSA-N -1 3 365.476 3.202 20 0 FGADHM CN(C)[C@H](C(=O)Nc1nnc(-c2cc3ccccc3o2)[n-]1)c1ccccc1 ZINC000485109229 502816067 /nfs/dbraw/zinc/81/60/67/502816067.db2.gz XMNCGNLXNHCIDN-KRWDZBQOSA-N -1 3 361.405 3.459 20 0 FGADHM CN(C)[C@H](C(=O)Nc1nc(-c2cc3ccccc3o2)n[n-]1)c1ccccc1 ZINC000485109229 502816068 /nfs/dbraw/zinc/81/60/68/502816068.db2.gz XMNCGNLXNHCIDN-KRWDZBQOSA-N -1 3 361.405 3.459 20 0 FGADHM CN(C)[C@H](C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1)c1ccccc1 ZINC000485109229 502816069 /nfs/dbraw/zinc/81/60/69/502816069.db2.gz XMNCGNLXNHCIDN-KRWDZBQOSA-N -1 3 361.405 3.459 20 0 FGADHM COC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000474155045 502816267 /nfs/dbraw/zinc/81/62/67/502816267.db2.gz AUAULDHNRORKAI-CQSZACIVSA-N -1 3 357.834 3.015 20 0 FGADHM COC(=O)c1c(C)nc(=O)[n-]c1SC[C@@H](OC)c1ccc(Cl)cc1 ZINC000509104345 502822941 /nfs/dbraw/zinc/82/29/41/502822941.db2.gz VSPBMBBQMWMJMP-GFCCVEGCSA-N -1 3 368.842 3.410 20 0 FGADHM Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000488902917 502835053 /nfs/dbraw/zinc/83/50/53/502835053.db2.gz WWWSYTNYGVPBPD-MNOVXSKESA-N -1 3 352.360 3.429 20 0 FGADHM Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000488902917 502835054 /nfs/dbraw/zinc/83/50/54/502835054.db2.gz WWWSYTNYGVPBPD-MNOVXSKESA-N -1 3 352.360 3.429 20 0 FGADHM Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000488902917 502835056 /nfs/dbraw/zinc/83/50/56/502835056.db2.gz WWWSYTNYGVPBPD-MNOVXSKESA-N -1 3 352.360 3.429 20 0 FGADHM C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)sc1Cl)N1CCC(C)CC1 ZINC000500694214 502841995 /nfs/dbraw/zinc/84/19/95/502841995.db2.gz DSSFAJHTYWRKCO-JTQLQIEISA-N -1 3 371.355 3.454 20 0 FGADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)N1Cc2cccc(Cl)c2C1 ZINC000489113825 502881817 /nfs/dbraw/zinc/88/18/17/502881817.db2.gz HMXIJXATOIOZGY-UHFFFAOYSA-N -1 3 368.824 3.361 20 0 FGADHM O=C(c1cc2sccc2s1)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000513260361 502891507 /nfs/dbraw/zinc/89/15/07/502891507.db2.gz DTKYZPUHCYECCO-UHFFFAOYSA-N -1 3 372.471 3.267 20 0 FGADHM Cc1nc(CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)oc1C ZINC000513281292 502894871 /nfs/dbraw/zinc/89/48/71/502894871.db2.gz NHFLIUDKIZHUAY-UHFFFAOYSA-N -1 3 353.407 3.418 20 0 FGADHM CCC[C@@](C)(O)C[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000509432987 502901658 /nfs/dbraw/zinc/90/16/58/502901658.db2.gz SJYFYGFCEWUHSW-GFCCVEGCSA-N -1 3 359.797 3.188 20 0 FGADHM CO[C@H](C)c1nsc(Sc2n[n-]c(-c3cc(F)cc(F)c3)n2)n1 ZINC000509548411 502932897 /nfs/dbraw/zinc/93/28/97/502932897.db2.gz HAXDOOLFBSIVAD-ZCFIWIBFSA-N -1 3 355.395 3.460 20 0 FGADHM O=C([N-]c1nc2cc3c(cc2s1)OCCO3)c1nc2cccnc2s1 ZINC000513576609 502969198 /nfs/dbraw/zinc/96/91/98/502969198.db2.gz LSEYQIAHUHUTJA-UHFFFAOYSA-N -1 3 370.415 3.325 20 0 FGADHM CCCN(C)[C@@H](CNC(=O)N=c1[n-]nc(C)s1)c1ccc(Cl)cc1 ZINC000513589471 502973118 /nfs/dbraw/zinc/97/31/18/502973118.db2.gz JOOGUHJTXYRLFN-AWEZNQCLSA-N -1 3 367.906 3.126 20 0 FGADHM CCCc1cc(NC(=O)Cc2ccc(Br)cc2[O-])n(C)n1 ZINC000497597161 502996732 /nfs/dbraw/zinc/99/67/32/502996732.db2.gz WFXVFFSPIKXSBT-UHFFFAOYSA-N -1 3 352.232 3.022 20 0 FGADHM C[C@H]1CCN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)C1 ZINC000513692875 503002137 /nfs/dbraw/zinc/00/21/37/503002137.db2.gz WCLQPYNAALJIDB-ZDUSSCGKSA-N -1 3 362.426 3.109 20 0 FGADHM C[C@H]1c2cccc(Br)c2CCN1C(=O)c1ccc2n[n-]nc2c1 ZINC000509933941 503014808 /nfs/dbraw/zinc/01/48/08/503014808.db2.gz YVROLRWIMOOFEA-JTQLQIEISA-N -1 3 371.238 3.480 20 0 FGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)CC1CC(OC(C)(C)C)C1 ZINC000489717294 503018024 /nfs/dbraw/zinc/01/80/24/503018024.db2.gz QHGKWIUGBIYZPM-UHFFFAOYSA-N -1 3 352.431 3.336 20 0 FGADHM Cn1ccc([C@H](NC(=O)c2cc([O-])ccc2Cl)c2ccc(F)cc2)n1 ZINC000497707023 503021004 /nfs/dbraw/zinc/02/10/04/503021004.db2.gz YZMCKTIUJJPUJY-QGZVFWFLSA-N -1 3 359.788 3.438 20 0 FGADHM Cc1nn(C(C)C)c(C)c1CC(=O)N=c1cc(-c2ccccc2C)[n-][nH]1 ZINC000497733020 503027425 /nfs/dbraw/zinc/02/74/25/503027425.db2.gz VYMXOFFNFDFBQM-UHFFFAOYSA-N -1 3 351.454 3.382 20 0 FGADHM CC1([N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)CCOCC1 ZINC000510036642 503035478 /nfs/dbraw/zinc/03/54/78/503035478.db2.gz YRBLXZJWFIXPTF-UHFFFAOYSA-N -1 3 357.781 3.206 20 0 FGADHM Cc1cc(C(=O)N[C@@H](C)[C@H](C)c2ccccc2C(F)(F)F)[n-]c(=O)n1 ZINC000501623117 503050244 /nfs/dbraw/zinc/05/02/44/503050244.db2.gz WATYVXVSMFEVPL-QWRGUYRKSA-N -1 3 353.344 3.431 20 0 FGADHM CC[C@@H]1C[C@H](C(=O)N=c2cc(-c3cc(Cl)ccc3OC)[n-][nH]2)CCO1 ZINC000506179318 503064304 /nfs/dbraw/zinc/06/43/04/503064304.db2.gz SCKVKVFTXLAIPH-DGCLKSJQSA-N -1 3 363.845 3.304 20 0 FGADHM O=C(Nc1ccc(Cc2nnc3n2CCC3)cc1)c1cc([O-])ccc1Cl ZINC000506216879 503071660 /nfs/dbraw/zinc/07/16/60/503071660.db2.gz CZZARYDYWBWQKG-UHFFFAOYSA-N -1 3 368.824 3.426 20 0 FGADHM Cc1c([C@H]2OCC[C@@H]2C(=O)Nc2ccc(C(C)(C)C)cc2[O-])cnn1C ZINC000506233665 503074743 /nfs/dbraw/zinc/07/47/43/503074743.db2.gz UQLWIWYVFRUKFH-KSSFIOAISA-N -1 3 357.454 3.448 20 0 FGADHM O=C([N-]c1nnc(Cc2ccc(Cl)cc2)s1)c1cnn2ccncc12 ZINC000506246653 503077422 /nfs/dbraw/zinc/07/74/22/503077422.db2.gz CWNCKTJNTWUUEY-UHFFFAOYSA-N -1 3 370.825 3.077 20 0 FGADHM Cc1c(NCc2nc(C(F)(F)F)cc(=O)[n-]2)cnn1-c1ccccc1F ZINC000506281939 503085374 /nfs/dbraw/zinc/08/53/74/503085374.db2.gz PWUAPYPDYPPCFR-UHFFFAOYSA-N -1 3 367.306 3.446 20 0 FGADHM C[C@H](c1ccccc1)n1cnnc1SCC(=O)Nc1ccccc1[O-] ZINC000514104682 503089135 /nfs/dbraw/zinc/08/91/35/503089135.db2.gz LVQWOAWUMUJXTD-CYBMUJFWSA-N -1 3 354.435 3.324 20 0 FGADHM Cc1ccc([C@@H]2CCCN2C(=O)c2ccc([N-]S(C)(=O)=O)cc2)s1 ZINC000514148337 503099326 /nfs/dbraw/zinc/09/93/26/503099326.db2.gz UIETXGDRGNBXBQ-HNNXBMFYSA-N -1 3 364.492 3.405 20 0 FGADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)CO[C@@H]3CCCC[C@H]3C)cc2)n1 ZINC000498075710 503101222 /nfs/dbraw/zinc/10/12/22/503101222.db2.gz BDBAGAQBWHVKON-CXAGYDPISA-N -1 3 355.438 3.279 20 0 FGADHM CC[C@H](C)N[C@@H](C[N-]S(=O)(=O)c1ccc(F)cc1Cl)c1ccco1 ZINC000510427490 503112716 /nfs/dbraw/zinc/11/27/16/503112716.db2.gz FUCQKRFHXRNDEL-FZMZJTMJSA-N -1 3 374.865 3.480 20 0 FGADHM CC(C)(C)c1ccc(NC(=O)CNC(=O)Cc2cccc(F)c2)c([O-])c1 ZINC000501979958 503120382 /nfs/dbraw/zinc/12/03/82/503120382.db2.gz PDXOQROQRUQFRI-UHFFFAOYSA-N -1 3 358.413 3.126 20 0 FGADHM C[C@H]1COCC[C@@H]1C[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000510472696 503122355 /nfs/dbraw/zinc/12/23/55/503122355.db2.gz ODSJPHANENVETB-VHSXEESVSA-N -1 3 371.808 3.310 20 0 FGADHM CCn1c(=O)[n-]nc1S[C@H](C)C(=O)c1cc(C)n(Cc2ccco2)c1C ZINC000514297932 503126231 /nfs/dbraw/zinc/12/62/31/503126231.db2.gz GYXDQNHUGJDKFN-CYBMUJFWSA-N -1 3 374.466 3.427 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)[C@H](c3ccncc3)C(C)C)[n-]c21 ZINC000502085502 503141798 /nfs/dbraw/zinc/14/17/98/503141798.db2.gz WJUWXSTXSKMVOK-HNNXBMFYSA-N -1 3 352.394 3.123 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@H](c3ccncc3)C(C)C)nc21 ZINC000502085502 503141801 /nfs/dbraw/zinc/14/18/01/503141801.db2.gz WJUWXSTXSKMVOK-HNNXBMFYSA-N -1 3 352.394 3.123 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Br)s1)c1ccncc1F ZINC000510623631 503157699 /nfs/dbraw/zinc/15/76/99/503157699.db2.gz YTNAQAGBOPVLKS-SSDOTTSWSA-N -1 3 365.249 3.084 20 0 FGADHM COC(=O)c1csc(S(=O)(=O)[N-][C@H](C)c2ccc(Cl)cc2)c1 ZINC000502189550 503159392 /nfs/dbraw/zinc/15/93/92/503159392.db2.gz YECOQMIJFRABFQ-SECBINFHSA-N -1 3 359.856 3.228 20 0 FGADHM COc1ccc(CN2CC[C@H](C)[C@H](C(=O)[O-])C2)cc1OCc1cccnc1 ZINC000514672552 503164042 /nfs/dbraw/zinc/16/40/42/503164042.db2.gz ORERIJULWIRCPJ-MAUKXSAKSA-N -1 3 370.449 3.212 20 0 FGADHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc(F)c(NC(C)=O)c2)cc1 ZINC000506796603 503173945 /nfs/dbraw/zinc/17/39/45/503173945.db2.gz NJEKVCRELZPUBZ-UHFFFAOYSA-N -1 3 366.414 3.374 20 0 FGADHM CC(C)([N-]S(=O)(=O)c1cccc(F)c1F)c1cc(C(F)(F)F)on1 ZINC000490472922 503179948 /nfs/dbraw/zinc/17/99/48/503179948.db2.gz UVMKWXOYXYLDKC-UHFFFAOYSA-N -1 3 370.299 3.185 20 0 FGADHM COC(=O)c1cc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)c[n-]1 ZINC000506839654 503182068 /nfs/dbraw/zinc/18/20/68/503182068.db2.gz MQRMRRXHHOUQGT-UHFFFAOYSA-N -1 3 370.430 3.197 20 0 FGADHM Cc1cc(C(=O)NC[C@H](O)COc2cccc(Cl)c2Cl)ccc1[O-] ZINC000498518080 503200341 /nfs/dbraw/zinc/20/03/41/503200341.db2.gz UMAUKPJCYFESEH-LBPRGKRZSA-N -1 3 370.232 3.177 20 0 FGADHM Cc1cc(C(=O)NC[C@@H](c2ccccc2Cl)N2CCOCC2)ccc1[O-] ZINC000498521314 503201452 /nfs/dbraw/zinc/20/14/52/503201452.db2.gz FIZLOSBALZNSHC-SFHVURJKSA-N -1 3 374.868 3.157 20 0 FGADHM COc1nc(NC(=O)Cc2cccc(OCc3cccc(Cl)c3)c2)n[n-]1 ZINC000490622639 503205551 /nfs/dbraw/zinc/20/55/51/503205551.db2.gz PPTJZVKQBMRWSF-UHFFFAOYSA-N -1 3 372.812 3.227 20 0 FGADHM COc1nnc(NC(=O)Cc2cccc(OCc3cccc(Cl)c3)c2)[n-]1 ZINC000490622639 503205554 /nfs/dbraw/zinc/20/55/54/503205554.db2.gz PPTJZVKQBMRWSF-UHFFFAOYSA-N -1 3 372.812 3.227 20 0 FGADHM COc1n[n-]c(NC(=O)Cc2cccc(OCc3cccc(Cl)c3)c2)n1 ZINC000490622639 503205559 /nfs/dbraw/zinc/20/55/59/503205559.db2.gz PPTJZVKQBMRWSF-UHFFFAOYSA-N -1 3 372.812 3.227 20 0 FGADHM COC[C@H](C)C[N-]S(=O)(=O)c1cc(Cl)ccc1OCCC1CC1 ZINC000490649533 503209011 /nfs/dbraw/zinc/20/90/11/503209011.db2.gz ADFAOUDIANNXMZ-GFCCVEGCSA-N -1 3 361.891 3.080 20 0 FGADHM C[C@H](CN(C)[C@@H](C)C(=O)NCc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000514866516 503214473 /nfs/dbraw/zinc/21/44/73/503214473.db2.gz LGRXLQDSBNFGBL-CVEARBPZSA-N -1 3 354.450 3.125 20 0 FGADHM COC(=O)c1cc(C(=O)Nc2cc(Cc3ccccc3)ccc2[O-])cn1C ZINC000490827271 503232725 /nfs/dbraw/zinc/23/27/25/503232725.db2.gz ZMLHJDPVXFIBIT-UHFFFAOYSA-N -1 3 364.401 3.360 20 0 FGADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)c2c(F)cncc2F)sc1Cl ZINC000511032843 503238790 /nfs/dbraw/zinc/23/87/90/503238790.db2.gz SKMGSIUIBBRIOV-ZETCQYMHSA-N -1 3 352.815 3.423 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)c1ccc2n[nH]cc2c1 ZINC000511034347 503239047 /nfs/dbraw/zinc/23/90/47/503239047.db2.gz RJXGLXVVHWRHKV-QMMMGPOBSA-N -1 3 355.341 3.020 20 0 FGADHM Cc1cc(=O)[n-]c([C@H](C)N2CCN(Cc3ccc(Cl)cc3C)CC2)n1 ZINC000511087993 503250520 /nfs/dbraw/zinc/25/05/20/503250520.db2.gz DNJVPJLQSCWJSI-HNNXBMFYSA-N -1 3 360.889 3.331 20 0 FGADHM Cc1ccc(Nc2ccccc2C(=O)N2CCc3nc[n-]c(=O)c3C2)cc1 ZINC000515027148 503253936 /nfs/dbraw/zinc/25/39/36/503253936.db2.gz ICPFNUKSMDQAMK-UHFFFAOYSA-N -1 3 360.417 3.433 20 0 FGADHM CCOc1ccc(-c2nc(N=c3ncnc4[nH][n-]cc3-4)sc2C)cc1 ZINC000502740409 503261203 /nfs/dbraw/zinc/26/12/03/503261203.db2.gz QVFMGMIFSVDMOV-UHFFFAOYSA-N -1 3 352.423 3.301 20 0 FGADHM COC(=O)c1c(C)csc1[N-]C(=O)c1cnc([C@@H]2CCCO2)s1 ZINC000515169275 503283599 /nfs/dbraw/zinc/28/35/99/503283599.db2.gz BKHSPALQNYZKHS-VIFPVBQESA-N -1 3 352.437 3.403 20 0 FGADHM C[C@H]1C[C@@]1(NC(=O)NCc1nnc(C(F)(F)F)[n-]1)c1ccc(Cl)cc1 ZINC000507371888 503288103 /nfs/dbraw/zinc/28/81/03/503288103.db2.gz QPXMXULONXRFKG-RTHLEPHNSA-N -1 3 373.766 3.211 20 0 FGADHM C[C@H]1C[C@@]1(NC(=O)NCc1n[n-]c(C(F)(F)F)n1)c1ccc(Cl)cc1 ZINC000507371888 503288110 /nfs/dbraw/zinc/28/81/10/503288110.db2.gz QPXMXULONXRFKG-RTHLEPHNSA-N -1 3 373.766 3.211 20 0 FGADHM C[C@H]1C[C@@]1(NC(=O)NCc1nc(C(F)(F)F)n[n-]1)c1ccc(Cl)cc1 ZINC000507371888 503288113 /nfs/dbraw/zinc/28/81/13/503288113.db2.gz QPXMXULONXRFKG-RTHLEPHNSA-N -1 3 373.766 3.211 20 0 FGADHM O=C1[N-][C@@](c2ccccc2)(C(F)(F)F)C(=O)N1Cc1c(F)cccc1F ZINC000502854018 503289897 /nfs/dbraw/zinc/28/98/97/503289897.db2.gz WYWQRXVCLAVZEO-MRXNPFEDSA-N -1 3 370.277 3.474 20 0 FGADHM CC(C)(C)OC(=O)c1ccc(CNC(=O)N=c2cc3ccccn3[n-]2)cc1 ZINC000515226892 503297571 /nfs/dbraw/zinc/29/75/71/503297571.db2.gz ZLSDZMYYJYKRNQ-UHFFFAOYSA-N -1 3 366.421 3.033 20 0 FGADHM O=C(Cc1cn2ccsc2n1)Nc1n[n-]c(-c2ccccc2Cl)n1 ZINC000515243938 503300501 /nfs/dbraw/zinc/30/05/01/503300501.db2.gz QNFCAIIMDXWXJC-UHFFFAOYSA-N -1 3 358.814 3.016 20 0 FGADHM O=C(NCc1ccc([O-])c(Br)c1)N1CCCC[C@@H]1C(F)F ZINC000507479514 503305948 /nfs/dbraw/zinc/30/59/48/503305948.db2.gz SPUCFCDAXMIQFK-LLVKDONJSA-N -1 3 363.202 3.484 20 0 FGADHM CCn1cc(C[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)cn1 ZINC000511377741 503310273 /nfs/dbraw/zinc/31/02/73/503310273.db2.gz LBHIXYIWAYJOMQ-UHFFFAOYSA-N -1 3 367.780 3.054 20 0 FGADHM CCn1c(=O)[n-]nc1SCC(=O)N(c1ccccc1)C1CCCCC1 ZINC000515308793 503311660 /nfs/dbraw/zinc/31/16/60/503311660.db2.gz CTCMXGTYEANRGO-UHFFFAOYSA-N -1 3 360.483 3.462 20 0 FGADHM Cc1ccc(Cl)c(O[C@@H](C)C(=O)N=c2cc(-c3ccncc3)[n-][nH]2)c1 ZINC000502964740 503315627 /nfs/dbraw/zinc/31/56/27/503315627.db2.gz JJIAZCDWQMOMGZ-LBPRGKRZSA-N -1 3 356.813 3.261 20 0 FGADHM C[C@@]1(c2cccc(C(=O)Nc3csc4ccccc34)c2)NC(=O)[N-]C1=O ZINC000491519359 503315949 /nfs/dbraw/zinc/31/59/49/503315949.db2.gz CJEBTGYFDMAVRC-IBGZPJMESA-N -1 3 365.414 3.208 20 0 FGADHM O=C(CCCc1nc2ccccc2s1)N=c1cc(-c2ccncc2)[n-][nH]1 ZINC000502981570 503318011 /nfs/dbraw/zinc/31/80/11/503318011.db2.gz HIDIOAQKSOSSSX-UHFFFAOYSA-N -1 3 363.446 3.465 20 0 FGADHM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2ccc(F)c(C)c2)c(Cl)c1 ZINC000507550439 503319468 /nfs/dbraw/zinc/31/94/68/503319468.db2.gz XZYRDFTYNBLPMV-UHFFFAOYSA-N -1 3 371.817 3.053 20 0 FGADHM COc1ccc([O-])c(C(=O)N2CCC[C@H]2c2ccc(OC)c(OC)c2)c1 ZINC000515351812 503321737 /nfs/dbraw/zinc/32/17/37/503321737.db2.gz BMRXKNSKPXXIDC-INIZCTEOSA-N -1 3 357.406 3.395 20 0 FGADHM O=S(=O)([N-]CC1(C(F)(F)F)CCC1)c1ccc(C(F)(F)F)nc1 ZINC000511438814 503322281 /nfs/dbraw/zinc/32/22/81/503322281.db2.gz VDVMJCFLLKZFSN-UHFFFAOYSA-N -1 3 362.295 3.111 20 0 FGADHM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@H](C)c2ccccc2)c(Cl)c1 ZINC000507559596 503322660 /nfs/dbraw/zinc/32/26/60/503322660.db2.gz FINHXTNSUSDZQH-LBPRGKRZSA-N -1 3 367.854 3.209 20 0 FGADHM CCCCN(CC)C(=O)c1sccc1S(=O)(=O)[N-]Cc1ccco1 ZINC000511495531 503331634 /nfs/dbraw/zinc/33/16/34/503331634.db2.gz BQNGUGJFBYAKBQ-UHFFFAOYSA-N -1 3 370.496 3.082 20 0 FGADHM CCN(CC)C(=O)CCCC(=O)N=c1cc(-c2cc(C)cc(C)c2)[n-][nH]1 ZINC000503118157 503351281 /nfs/dbraw/zinc/35/12/81/503351281.db2.gz IVJGIXHQEFZNHL-UHFFFAOYSA-N -1 3 356.470 3.093 20 0 FGADHM CCCc1n[n-]c(=NC(=O)NC[C@H](c2ccccc2)N(CC)CC)s1 ZINC000503158339 503357356 /nfs/dbraw/zinc/35/73/56/503357356.db2.gz DGYAVRZQFKZRTP-OAHLLOKOSA-N -1 3 361.515 3.117 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]Cc2cccc(OC(C)(C)C)n2)c(F)c1 ZINC000503236598 503374196 /nfs/dbraw/zinc/37/41/96/503374196.db2.gz NXWCHDQEBOVDDR-UHFFFAOYSA-N -1 3 352.431 3.185 20 0 FGADHM CCCCCn1cc(C[N-]S(=O)(=O)c2cccc(F)c2F)c(C)n1 ZINC000503238767 503375106 /nfs/dbraw/zinc/37/51/06/503375106.db2.gz 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ZINC000515794225 503402348 /nfs/dbraw/zinc/40/23/48/503402348.db2.gz FBVGQCLSODYQHE-UHFFFAOYSA-N -1 3 354.341 3.254 20 0 FGADHM Cc1ccc(-c2cc(C(=O)Nc3cc4c(cc3F)CCC(=O)N4)[n-]n2)o1 ZINC000515794225 503402350 /nfs/dbraw/zinc/40/23/50/503402350.db2.gz FBVGQCLSODYQHE-UHFFFAOYSA-N -1 3 354.341 3.254 20 0 FGADHM Cc1ccc([C@H]2CCCCN2C(=O)c2cncc([N-]S(C)(=O)=O)c2)cc1 ZINC000503423773 503406300 /nfs/dbraw/zinc/40/63/00/503406300.db2.gz HLFNFFXXYGHBME-GOSISDBHSA-N -1 3 373.478 3.129 20 0 FGADHM CC(C)n1cnnc1-c1ccccc1NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000515867210 503414363 /nfs/dbraw/zinc/41/43/63/503414363.db2.gz QANBGJQRPKBQKC-UHFFFAOYSA-N -1 3 364.409 3.151 20 0 FGADHM CCN=c1[n-]c(C(=O)N[C@H](c2c(F)cccc2F)C(F)(F)F)cs1 ZINC000508089905 503428476 /nfs/dbraw/zinc/42/84/76/503428476.db2.gz QGDCYDYFYPETMA-LLVKDONJSA-N -1 3 365.327 3.308 20 0 FGADHM CCN=c1[n-]c(C(=O)N[C@@H](c2c(F)cccc2F)C(F)(F)F)cs1 ZINC000508089906 503428494 /nfs/dbraw/zinc/42/84/94/503428494.db2.gz QGDCYDYFYPETMA-NSHDSACASA-N -1 3 365.327 3.308 20 0 FGADHM COC(=O)c1cc(C)c([N-]S(=O)(=O)c2cccc(F)c2)c(Cl)c1 ZINC000508103851 503431678 /nfs/dbraw/zinc/43/16/78/503431678.db2.gz QWGMAYISCOOXQS-UHFFFAOYSA-N -1 3 357.790 3.375 20 0 FGADHM COC(=O)C(C)(C)CS(=O)(=O)[N-]C(c1cccs1)c1cccs1 ZINC000588892982 506371654 /nfs/dbraw/zinc/37/16/54/506371654.db2.gz PUOPLVBWZGYKJK-UHFFFAOYSA-N -1 3 373.521 3.018 20 0 FGADHM C[C@]1([N-]S(=O)(=O)c2cc(Cl)ccc2OCCC2CC2)CCCOC1 ZINC000493733797 503442257 /nfs/dbraw/zinc/44/22/57/503442257.db2.gz CXDSMVADXILTMO-KRWDZBQOSA-N -1 3 373.902 3.366 20 0 FGADHM CCSCCC[N-]S(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000499674801 503455535 /nfs/dbraw/zinc/45/55/35/503455535.db2.gz KEZNBSYINFUDAL-UHFFFAOYSA-N -1 3 358.312 3.424 20 0 FGADHM C/C=C\C[C@@H](CO)[N-]S(=O)(=O)c1cc(Cl)ccc1OCCC1CC1 ZINC000493908712 503456325 /nfs/dbraw/zinc/45/63/25/503456325.db2.gz SNISIFVINHOEFL-GWQWAINWSA-N -1 3 373.902 3.124 20 0 FGADHM CC(C)(C)N1CC[C@@H](SCc2cc(=O)[n-]c(-c3ccccc3)n2)C1=O ZINC000516174043 503462234 /nfs/dbraw/zinc/46/22/34/503462234.db2.gz CZDFZSHNKMHFGI-OAHLLOKOSA-N -1 3 357.479 3.482 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]Cc2ccnc(OC(C)C)c2)c(Cl)cc1F ZINC000508245936 503462938 /nfs/dbraw/zinc/46/29/38/503462938.db2.gz GEBAFFSEBMKVHT-UHFFFAOYSA-N -1 3 372.849 3.448 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)[C@@H]1CCCOC1 ZINC000503767114 503469487 /nfs/dbraw/zinc/46/94/87/503469487.db2.gz UXPPERXPSFRYIN-NXEZZACHSA-N -1 3 371.808 3.452 20 0 FGADHM Cc1ccc(F)c(S(=O)(=O)[N-]CCCCCC(=O)OC(C)(C)C)c1 ZINC000503769763 503470446 /nfs/dbraw/zinc/47/04/46/503470446.db2.gz FSSVFCNWNZXPLA-UHFFFAOYSA-N -1 3 359.463 3.315 20 0 FGADHM Cc1cc(C)cc(-c2cc(=NC(=O)c3cc4ccccc4c(=O)n3C)[nH][n-]2)c1 ZINC000494004830 503473589 /nfs/dbraw/zinc/47/35/89/503473589.db2.gz TZTUJTGPYFRBQG-UHFFFAOYSA-N -1 3 372.428 3.220 20 0 FGADHM COC(=O)CN(Cc1ccc(F)c(F)c1)Cc1c(F)ccc([O-])c1F ZINC000508369927 503483565 /nfs/dbraw/zinc/48/35/65/503483565.db2.gz IBLSNMQHFGDHCW-UHFFFAOYSA-N -1 3 357.303 3.124 20 0 FGADHM C[C@@H](NC(=O)NCc1ccc([O-])c(Br)c1)c1ccncc1F ZINC000512228499 503492355 /nfs/dbraw/zinc/49/23/55/503492355.db2.gz NSNNYRYXIZZWPW-SECBINFHSA-N -1 3 368.206 3.249 20 0 FGADHM Cc1cc(C(=O)NC2(c3noc(CN(C)C)n3)CCCCCC2)ccc1[O-] ZINC000499849466 503494258 /nfs/dbraw/zinc/49/42/58/503494258.db2.gz QZXZFHUBPPGSFO-UHFFFAOYSA-N -1 3 372.469 3.125 20 0 FGADHM C[C@H](NC(=O)c1cc(F)cc2nn[n-]c21)c1ccccc1OC(F)F ZINC000503974595 503502456 /nfs/dbraw/zinc/50/24/56/503502456.db2.gz PNAZGCBYJBHVAZ-QMMMGPOBSA-N -1 3 350.300 3.189 20 0 FGADHM C[C@H](NC(=O)c1cc(F)cc2[n-]nnc21)c1ccccc1OC(F)F ZINC000503974595 503502460 /nfs/dbraw/zinc/50/24/60/503502460.db2.gz PNAZGCBYJBHVAZ-QMMMGPOBSA-N -1 3 350.300 3.189 20 0 FGADHM C[C@H](NC(=O)c1cc(F)cc2n[n-]nc21)c1ccccc1OC(F)F ZINC000503974595 503502461 /nfs/dbraw/zinc/50/24/61/503502461.db2.gz PNAZGCBYJBHVAZ-QMMMGPOBSA-N -1 3 350.300 3.189 20 0 FGADHM O=C(Cc1ccc([O-])cc1Cl)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000508511153 503509238 /nfs/dbraw/zinc/50/92/38/503509238.db2.gz HMUJASYWYDRXLX-QPJJXVBHSA-N -1 3 370.880 3.446 20 0 FGADHM CCCCCN(C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)C(C)C ZINC000504057307 503515748 /nfs/dbraw/zinc/51/57/48/503515748.db2.gz LSAJESPOVKZGML-UHFFFAOYSA-N -1 3 366.936 3.107 20 0 FGADHM CCc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)CCC3CCC3)n2)cc1 ZINC000516514505 503525076 /nfs/dbraw/zinc/52/50/76/503525076.db2.gz WRNOYTVURBOMDX-ZDUSSCGKSA-N -1 3 363.483 3.470 20 0 FGADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@H](C)CCCC(F)(F)F ZINC000494342530 503527951 /nfs/dbraw/zinc/52/79/51/503527951.db2.gz YRACZDKWMOLZAW-SECBINFHSA-N -1 3 371.352 3.012 20 0 FGADHM COCCOc1cc(NC(=O)Cc2ccc([O-])cc2Cl)ccc1OC ZINC000508614686 503529485 /nfs/dbraw/zinc/52/94/85/503529485.db2.gz MBZUZIJGMBWPEZ-UHFFFAOYSA-N -1 3 365.813 3.261 20 0 FGADHM C[C@@]1(C[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CCOC1 ZINC000500041876 503539712 /nfs/dbraw/zinc/53/97/12/503539712.db2.gz WKEAWTLOWCDESL-LBPRGKRZSA-N -1 3 357.781 3.064 20 0 FGADHM Cc1cccc2[nH]c(CNC(=O)Cc3ccc(Br)cc3[O-])nc21 ZINC000494428099 503540497 /nfs/dbraw/zinc/54/04/97/503540497.db2.gz BAONFWQMKCTOHX-UHFFFAOYSA-N -1 3 374.238 3.198 20 0 FGADHM Cc1cc(C(=O)N[C@@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)cc2)ccc1[O-] ZINC000500063073 503543343 /nfs/dbraw/zinc/54/33/43/503543343.db2.gz CYHHSWCTXXIDBK-QAPCUYQASA-N -1 3 358.825 3.056 20 0 FGADHM O=C(Cc1ccc([O-])cc1Cl)N1CCc2c(cnn2-c2ccccc2)C1 ZINC000508778534 503563154 /nfs/dbraw/zinc/56/31/54/503563154.db2.gz MQHSYDNJGKXRIE-UHFFFAOYSA-N -1 3 367.836 3.359 20 0 FGADHM COc1cc(C(=O)N[C@@H](C)c2ccc(-n3cccn3)c(F)c2)ccc1[O-] ZINC000508836317 503574215 /nfs/dbraw/zinc/57/42/15/503574215.db2.gz ULFFEMMJZDUMRG-LBPRGKRZSA-N -1 3 355.369 3.217 20 0 FGADHM CN(C)C[C@@H](CNC(=O)c1ccc([O-])cc1F)c1ccc(Cl)cc1 ZINC000516755839 503580414 /nfs/dbraw/zinc/58/04/14/503580414.db2.gz RWPQJYQATHVAMV-CYBMUJFWSA-N -1 3 350.821 3.260 20 0 FGADHM CCCCc1n[n-]c(=NC(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)s1 ZINC000508864408 503581564 /nfs/dbraw/zinc/58/15/64/503581564.db2.gz LZZNJDCLMAUPFC-CJNGLKHVSA-N -1 3 361.515 3.116 20 0 FGADHM CC(C)O[C@H]1C[C@H](NC(=O)Cc2ccc(Br)cc2[O-])C1(C)C ZINC000500262756 503591301 /nfs/dbraw/zinc/59/13/01/503591301.db2.gz OWLMUMJTNFGCMV-GJZGRUSLSA-N -1 3 370.287 3.406 20 0 FGADHM O=C(Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1)c1nc[n-]n1 ZINC000512596461 503591723 /nfs/dbraw/zinc/59/17/23/503591723.db2.gz CYOPPXBWXZZBMZ-UHFFFAOYSA-N -1 3 353.329 3.123 20 0 FGADHM O=C(CNC(=O)c1cccc([O-])c1)N(CCc1ccccc1)C1CCCC1 ZINC000494833517 503618854 /nfs/dbraw/zinc/61/88/54/503618854.db2.gz MFMDPBNPBMYAMM-UHFFFAOYSA-N -1 3 366.461 3.136 20 0 FGADHM C[C@@H](C[C@@H]1CCCO1)[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000500420888 503620719 /nfs/dbraw/zinc/62/07/19/503620719.db2.gz LVQRLGHSYGHJGI-JSGCOSHPSA-N -1 3 352.481 3.046 20 0 FGADHM C[C@H](C[C@H]1CCCO1)[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000500420890 503620956 /nfs/dbraw/zinc/62/09/56/503620956.db2.gz LVQRLGHSYGHJGI-TZMCWYRMSA-N -1 3 352.481 3.046 20 0 FGADHM O=C(Cc1ccc(Br)cc1[O-])N1CC2(CCC2)[C@@H]1C1CC1 ZINC000516932691 503622639 /nfs/dbraw/zinc/62/26/39/503622639.db2.gz YURBBVNMJYYVNT-INIZCTEOSA-N -1 3 350.256 3.488 20 0 FGADHM COc1ccccc1C[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000500436757 503624502 /nfs/dbraw/zinc/62/45/02/503624502.db2.gz AENJGVNMRWIBHV-UHFFFAOYSA-N -1 3 360.460 3.297 20 0 FGADHM O=C([O-])[C@H](Cc1ccc(OC(F)F)cc1)NCc1cccc(F)c1F ZINC000516946452 503627371 /nfs/dbraw/zinc/62/73/71/503627371.db2.gz FGIAVFDNPYGQDN-AWEZNQCLSA-N -1 3 357.303 3.352 20 0 FGADHM Cc1ccc(-c2c[nH]cc2C(=O)Nc2cccc(-c3nnn[n-]3)c2)s1 ZINC000494891410 503631136 /nfs/dbraw/zinc/63/11/36/503631136.db2.gz IGBFUVXFYTZEBT-UHFFFAOYSA-N -1 3 350.407 3.484 20 0 FGADHM Cc1ccc(-c2c[nH]cc2C(=O)Nc2cccc(-c3nn[n-]n3)c2)s1 ZINC000494891410 503631141 /nfs/dbraw/zinc/63/11/41/503631141.db2.gz IGBFUVXFYTZEBT-UHFFFAOYSA-N -1 3 350.407 3.484 20 0 FGADHM CC(C)[C@@H](NC(=O)CNC(=O)c1cccc([O-])c1)c1ccc(Cl)cc1 ZINC000494893365 503631161 /nfs/dbraw/zinc/63/11/61/503631161.db2.gz NHZVVPBKPPLKRJ-GOSISDBHSA-N -1 3 360.841 3.289 20 0 FGADHM Cn1cc(C(=O)N=c2cc3ccc(Br)cn3[n-]2)c2ccccc21 ZINC000509068536 503634260 /nfs/dbraw/zinc/63/42/60/503634260.db2.gz OBGNYUSYJHPGHI-UHFFFAOYSA-N -1 3 369.222 3.263 20 0 FGADHM CO[C@H](Cc1ccccc1)CS(=O)(=O)[N-]c1ccc(C)c(C(C)=O)c1 ZINC000517039596 503649306 /nfs/dbraw/zinc/64/93/06/503649306.db2.gz GZOMADYTCZGBQT-GOSISDBHSA-N -1 3 361.463 3.197 20 0 FGADHM O=C(N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1)c1c[nH]c(=O)c2ccccc12 ZINC000527044398 503655781 /nfs/dbraw/zinc/65/57/81/503655781.db2.gz JSEMHBLWQXBZAT-UHFFFAOYSA-N -1 3 366.327 3.283 20 0 FGADHM CC[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000546177576 503657730 /nfs/dbraw/zinc/65/77/30/503657730.db2.gz SOSOHDSVUKPCOC-ZETCQYMHSA-N -1 3 350.284 3.110 20 0 FGADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000527050586 503659087 /nfs/dbraw/zinc/65/90/87/503659087.db2.gz ZFMBPEIPDPRUHW-MRXNPFEDSA-N -1 3 363.351 3.016 20 0 FGADHM N=c1nc(N2CCC(c3ccccc3C(F)(F)F)CC2)nc2[nH][n-]cc1-2 ZINC000546180391 503659308 /nfs/dbraw/zinc/65/93/08/503659308.db2.gz FWGTWFWJHFBWHB-UHFFFAOYSA-N -1 3 362.359 3.120 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]C[C@H](c2ccco2)N2CCCCC2)c(F)c1 ZINC000517084045 503662264 /nfs/dbraw/zinc/66/22/64/503662264.db2.gz GGMCZJJIWJFSKC-MRXNPFEDSA-N -1 3 366.458 3.233 20 0 FGADHM COCc1nc2cc([N-]S(=O)(=O)Cc3ccc(F)cc3F)ccc2o1 ZINC000540077283 503664282 /nfs/dbraw/zinc/66/42/82/503664282.db2.gz PVLJXGBPPQAABV-UHFFFAOYSA-N -1 3 368.361 3.194 20 0 FGADHM Cc1cccc(C=Cc2nc(-c3ccc([C@]4(C)NC(=O)[N-]C4=O)cc3)no2)c1 ZINC000546236649 503682647 /nfs/dbraw/zinc/68/26/47/503682647.db2.gz JAJPOPVQHAVMSS-LTSKSLEPSA-N -1 3 374.400 3.270 20 0 FGADHM COc1cc2c(cc1Cl)CN(C(=O)c1cc(=O)c3ccccc3[n-]1)CC2 ZINC000517257537 503696465 /nfs/dbraw/zinc/69/64/65/503696465.db2.gz SQHWOYLHSULPIS-UHFFFAOYSA-N -1 3 368.820 3.389 20 0 FGADHM CCc1ccc(OCc2nc(-c3ccc([N-]S(C)(=O)=O)cc3)no2)cc1 ZINC000546303123 503704266 /nfs/dbraw/zinc/70/42/66/503704266.db2.gz LSOJQKDNBRRAFD-UHFFFAOYSA-N -1 3 373.434 3.250 20 0 FGADHM C[C@@H]1C[C@H](C)N1C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000527181950 503709283 /nfs/dbraw/zinc/70/92/83/503709283.db2.gz XRECUHNUUCJOMZ-BETUJISGSA-N -1 3 362.426 3.249 20 0 FGADHM C[C@H]1CN(C(=O)c2ccc(C(=O)c3cccc([O-])c3)cc2)C[C@@H](C2CC2)O1 ZINC000527185645 503710932 /nfs/dbraw/zinc/71/09/32/503710932.db2.gz PIWZJLGXBAOAOH-XOBRGWDASA-N -1 3 365.429 3.263 20 0 FGADHM C[C@@H](Cc1ccsc1)[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000527194956 503713447 /nfs/dbraw/zinc/71/34/47/503713447.db2.gz CUPNYHDIBDAMRO-VIFPVBQESA-N -1 3 350.387 3.071 20 0 FGADHM CCn1c(CN2CC[C@](C(=O)[O-])(c3ccccc3)C2)nc2cc(F)ccc21 ZINC000517380660 503731051 /nfs/dbraw/zinc/73/10/51/503731051.db2.gz CGSOPHRQXXURPF-OAQYLSRUSA-N -1 3 367.424 3.424 20 0 FGADHM COc1cc2c(cc1F)[n-]cc(C(=O)N[C@@H]1CCCc3occc31)c2=O ZINC000540316312 503734196 /nfs/dbraw/zinc/73/41/96/503734196.db2.gz VSZJFETUWRANMD-CQSZACIVSA-N -1 3 356.353 3.076 20 0 FGADHM COc1cc(Cl)c(S(=O)(=O)[N-]C[C@@H]2CCC[C@H]2OC)cc1Cl ZINC000540321747 503736231 /nfs/dbraw/zinc/73/62/31/503736231.db2.gz XXDGQFTWVVPRLI-JOYOIKCWSA-N -1 3 368.282 3.095 20 0 FGADHM CCOC(=O)COc1ccc(NC(=O)c2cc(-c3ccc(C)o3)[n-]n2)cc1 ZINC000543385867 503748157 /nfs/dbraw/zinc/74/81/57/503748157.db2.gz CKCZYSLKULZSLJ-UHFFFAOYSA-N -1 3 369.377 3.172 20 0 FGADHM CCOC(=O)COc1ccc(NC(=O)c2cc(-c3ccc(C)o3)n[n-]2)cc1 ZINC000543385867 503748162 /nfs/dbraw/zinc/74/81/62/503748162.db2.gz CKCZYSLKULZSLJ-UHFFFAOYSA-N -1 3 369.377 3.172 20 0 FGADHM O=C(Cc1ccc([O-])c(F)c1)N1CCC[C@]2(CCc3ccccc3O2)C1 ZINC000529906248 503751444 /nfs/dbraw/zinc/75/14/44/503751444.db2.gz XVAXEQUBVGQPOZ-NRFANRHFSA-N -1 3 355.409 3.460 20 0 FGADHM CCN(c1cc(C)ccc1C)S(=O)(=O)c1ccc([O-])c(C(=O)OC)c1 ZINC000517483577 503755029 /nfs/dbraw/zinc/75/50/29/503755029.db2.gz NMJVIEOCSCRDBP-UHFFFAOYSA-N -1 3 363.435 3.011 20 0 FGADHM CCOC(=O)c1[n-]c(C)nc1NC(=O)c1cccc(OCC(F)(F)F)c1 ZINC000533209192 503761884 /nfs/dbraw/zinc/76/18/84/503761884.db2.gz XRSIAZIEVNSOFU-UHFFFAOYSA-N -1 3 371.315 3.088 20 0 FGADHM CCOC(=O)c1nc(C)[n-]c1NC(=O)c1cccc(OCC(F)(F)F)c1 ZINC000533209192 503761889 /nfs/dbraw/zinc/76/18/89/503761889.db2.gz XRSIAZIEVNSOFU-UHFFFAOYSA-N -1 3 371.315 3.088 20 0 FGADHM CC(=O)Nc1cc(NC(=O)c2c[n-]c3ccc(C)cc3c2=O)ccc1F ZINC000543429473 503766421 /nfs/dbraw/zinc/76/64/21/503766421.db2.gz QACTZDGRJLSNHN-UHFFFAOYSA-N -1 3 353.353 3.186 20 0 FGADHM CC(C)C[C@@H](C)Oc1cc(CNC(=O)c2cccc3nn[n-]c32)ccn1 ZINC000527357196 503776039 /nfs/dbraw/zinc/77/60/39/503776039.db2.gz LTLAGNSNHYZURR-CYBMUJFWSA-N -1 3 353.426 3.096 20 0 FGADHM CC(C)C[C@@H](C)Oc1cc(CNC(=O)c2cccc3[n-]nnc32)ccn1 ZINC000527357196 503776043 /nfs/dbraw/zinc/77/60/43/503776043.db2.gz LTLAGNSNHYZURR-CYBMUJFWSA-N -1 3 353.426 3.096 20 0 FGADHM CC(C)C[C@@H](C)Oc1cc(CNC(=O)c2cccc3n[n-]nc32)ccn1 ZINC000527357196 503776046 /nfs/dbraw/zinc/77/60/46/503776046.db2.gz LTLAGNSNHYZURR-CYBMUJFWSA-N -1 3 353.426 3.096 20 0 FGADHM Cc1cccc(O[C@H]2CCCC[C@H]2NC(=O)c2cccc3nn[n-]c32)c1 ZINC000527365843 503779045 /nfs/dbraw/zinc/77/90/45/503779045.db2.gz FWENCSSXXWCPLW-AEFFLSMTSA-N -1 3 350.422 3.386 20 0 FGADHM Cc1cccc(O[C@H]2CCCC[C@H]2NC(=O)c2cccc3[n-]nnc32)c1 ZINC000527365843 503779047 /nfs/dbraw/zinc/77/90/47/503779047.db2.gz FWENCSSXXWCPLW-AEFFLSMTSA-N -1 3 350.422 3.386 20 0 FGADHM Cc1cccc(O[C@H]2CCCC[C@H]2NC(=O)c2cccc3n[n-]nc32)c1 ZINC000527365843 503779050 /nfs/dbraw/zinc/77/90/50/503779050.db2.gz FWENCSSXXWCPLW-AEFFLSMTSA-N -1 3 350.422 3.386 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@@H]2CCC[C@@H](C)C2)c1-c1ccc2c(c1)OCCO2 ZINC000533261773 503782815 /nfs/dbraw/zinc/78/28/15/503782815.db2.gz ZMLJXUQQCBAQPV-IUODEOHRSA-N -1 3 355.438 3.343 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@@H]2CCC[C@H](C)C2)c1-c1ccc2c(c1)OCCO2 ZINC000533261774 503783437 /nfs/dbraw/zinc/78/34/37/503783437.db2.gz ZMLJXUQQCBAQPV-SWLSCSKDSA-N -1 3 355.438 3.343 20 0 FGADHM Cc1cc(N(C)C)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2 ZINC000517611519 503785265 /nfs/dbraw/zinc/78/52/65/503785265.db2.gz MRXJOFUAVOTRCI-UHFFFAOYSA-N -1 3 373.478 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/nfs/dbraw/zinc/15/96/74/505159674.db2.gz MBKRILWVMBNRCB-UHFFFAOYSA-N -1 3 366.327 3.474 20 0 FGADHM Cc1ccc2[n-]cc(C(=O)N(C)Cc3nc4c(s3)CCCC4)c(=O)c2c1 ZINC000557566447 505169579 /nfs/dbraw/zinc/16/95/79/505169579.db2.gz RJEQPGGNOUBQKH-UHFFFAOYSA-N -1 3 367.474 3.444 20 0 FGADHM Cn1ccnc1COc1ccc(CN2CCC(CCC(=O)[O-])CC2)cc1 ZINC000563543337 505171731 /nfs/dbraw/zinc/17/17/31/505171731.db2.gz STWJXFNGRVPCHV-UHFFFAOYSA-N -1 3 357.454 3.076 20 0 FGADHM COc1ccc([C@H]2CCCN2C(=O)N=c2cc3ccccn3[n-]2)cc1OC ZINC000554438247 505174026 /nfs/dbraw/zinc/17/40/26/505174026.db2.gz MCDCLWVZTAJUAL-MRXNPFEDSA-N -1 3 366.421 3.142 20 0 FGADHM CC(=O)Nc1ncc(S(=O)(=O)[N-]c2c(Cl)cccc2Cl)s1 ZINC000551205563 505176928 /nfs/dbraw/zinc/17/69/28/505176928.db2.gz WDHXHRLEHRWVDG-UHFFFAOYSA-N -1 3 366.251 3.209 20 0 FGADHM O=C(N[C@H](c1cc(F)ccc1F)C(F)F)c1cc(=O)[n-]c(C2CC2)n1 ZINC000566451604 505179983 /nfs/dbraw/zinc/17/99/83/505179983.db2.gz BDFJNSDNKUASEN-CYBMUJFWSA-N -1 3 355.291 3.074 20 0 FGADHM Cc1cc(Cl)cc(NC(=O)[C@@]2(c3ccccc3)CCC(=O)NC2)c1[O-] ZINC000557615489 505182992 /nfs/dbraw/zinc/18/29/92/505182992.db2.gz QOPDPICUNPPPLM-IBGZPJMESA-N -1 3 358.825 3.141 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)N1CC(OCCCc2ccccc2)C1 ZINC000560818302 505193363 /nfs/dbraw/zinc/19/33/63/505193363.db2.gz FGRJFBJCWYNCCX-UHFFFAOYSA-N -1 3 358.413 3.075 20 0 FGADHM O=c1[nH]c2ccccc2n1CCCSCc1cc(=O)[n-]c(C2CC2)n1 ZINC000563628536 505196485 /nfs/dbraw/zinc/19/64/85/505196485.db2.gz MPSRSVDLRGEMGJ-UHFFFAOYSA-N -1 3 356.451 3.438 20 0 FGADHM O=C(N=c1cc2ccccn2[n-]1)NCc1ccnc(OCc2ccccc2)c1 ZINC000554524964 505196877 /nfs/dbraw/zinc/19/68/77/505196877.db2.gz ACKAWFMBUODHGG-UHFFFAOYSA-N -1 3 373.416 3.052 20 0 FGADHM O=C([O-])[C@@H]1CCO[C@H]1C1CCN(CCSc2ccc(F)cc2)CC1 ZINC000566566303 505208421 /nfs/dbraw/zinc/20/84/21/505208421.db2.gz CAAVJIMWRMEHNJ-SJORKVTESA-N -1 3 353.459 3.120 20 0 FGADHM CCCN(CCN1CCCCCC1)C(=O)N=c1ccc(C(F)(F)F)n[n-]1 ZINC000566585767 505213089 /nfs/dbraw/zinc/21/30/89/505213089.db2.gz 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COC(=O)[C@]1(c2ccccc2)CCN(C(=O)c2cc([O-])ccc2Cl)C1 ZINC000561081527 505245955 /nfs/dbraw/zinc/24/59/55/505245955.db2.gz IEZJCMXDIVCZPC-LJQANCHMSA-N -1 3 359.809 3.003 20 0 FGADHM O=S(=O)([N-]Cc1cnc2n1CCCC2)c1cc(Cl)cc(Cl)c1 ZINC000551576669 505258128 /nfs/dbraw/zinc/25/81/28/505258128.db2.gz WAHGXXWVAFJAOD-UHFFFAOYSA-N -1 3 360.266 3.005 20 0 FGADHM O=C(CSCc1coc(-c2ccccc2)n1)N=c1cc2ccccn2[n-]1 ZINC000561146084 505262359 /nfs/dbraw/zinc/26/23/59/505262359.db2.gz FKRRPJMQBGGRGE-UHFFFAOYSA-N -1 3 364.430 3.283 20 0 FGADHM Cc1ccc([O-])c(NC(=O)c2cnc3c(cnn3Cc3ccccc3)c2)n1 ZINC000554792164 505266057 /nfs/dbraw/zinc/26/60/57/505266057.db2.gz KVCBTTAIAHHHSJ-UHFFFAOYSA-N -1 3 359.389 3.141 20 0 FGADHM O=C([O-])[C@@]1(NCc2ccc3c(c2)OCCCCO3)CCc2c1cccc2F ZINC000561157932 505267315 /nfs/dbraw/zinc/26/73/15/505267315.db2.gz FJZVFHXEJAKUCI-OAQYLSRUSA-N -1 3 371.408 3.393 20 0 FGADHM Cc1cc(C)cc(-c2nnc([N-]C(=O)c3cnc4[nH]c(=O)[nH]c4c3)s2)c1 ZINC000563915759 505274531 /nfs/dbraw/zinc/27/45/31/505274531.db2.gz FLAJHSGIMCCZBA-UHFFFAOYSA-N -1 3 366.406 3.051 20 0 FGADHM CC(C)(NC(=O)c1cc(=O)c2ccccc2[n-]1)c1cc(C(F)(F)F)on1 ZINC000558002534 505282248 /nfs/dbraw/zinc/28/22/48/505282248.db2.gz CCWUAXYPPLXXIL-UHFFFAOYSA-N -1 3 365.311 3.200 20 0 FGADHM CCn1cnc(S(=O)(=O)[N-][C@@H](c2cccc(C(F)(F)F)c2)C2CC2)c1 ZINC000554910162 505297111 /nfs/dbraw/zinc/29/71/11/505297111.db2.gz DVWVQPOWKIILBR-OAHLLOKOSA-N -1 3 373.400 3.351 20 0 FGADHM Cc1cc(C)cc(-c2cc(=NC(=O)c3cccc4c3CC(=O)CC4)[nH][n-]2)c1 ZINC000566885017 505299897 /nfs/dbraw/zinc/29/98/97/505299897.db2.gz HJSZHTKRRFDXJR-UHFFFAOYSA-N -1 3 359.429 3.426 20 0 FGADHM Cc1ccc2[n-]cc(C(=O)N3CCOc4ccc(F)cc4C3)c(=O)c2c1 ZINC000561310682 505311012 /nfs/dbraw/zinc/31/10/12/505311012.db2.gz MDKKPKATZAHPQI-UHFFFAOYSA-N -1 3 352.365 3.010 20 0 FGADHM O=S(=O)([N-]C[C@H]1CCCSC1)c1c(F)cccc1OC(F)(F)F ZINC000561343524 505319677 /nfs/dbraw/zinc/31/96/77/505319677.db2.gz AXTZFMMYKYVWCH-SECBINFHSA-N -1 3 373.393 3.146 20 0 FGADHM COc1cc([N-]C(=O)c2cc3sc(N4CCCC4)nc3s2)ncn1 ZINC000566949604 505319669 /nfs/dbraw/zinc/31/96/69/505319669.db2.gz DCVAUMFZWHWIRD-UHFFFAOYSA-N -1 3 361.452 3.009 20 0 FGADHM COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)[N-][C@@H]1CCC(C)(C)C1 ZINC000564088650 505322054 /nfs/dbraw/zinc/32/20/54/505322054.db2.gz PLWVXQOSZUWOKJ-LLVKDONJSA-N -1 3 374.890 3.164 20 0 FGADHM CC[C@@H]1CCC[C@H]1C(=O)N=c1[nH][n-]c(C)c1-c1ccc2c(c1)OCCO2 ZINC000564164211 505342864 /nfs/dbraw/zinc/34/28/64/505342864.db2.gz WFCVZKCJQBMWPL-UKRRQHHQSA-N -1 3 355.438 3.343 20 0 FGADHM COC[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Br)C(C)C ZINC000561440471 505346397 /nfs/dbraw/zinc/34/63/97/505346397.db2.gz VNYUTRDHMMAEHS-SNVBAGLBSA-N -1 3 370.696 3.052 20 0 FGADHM COCc1ccccc1CS(=O)(=O)[N-]Cc1nc(C(C)(C)C)cs1 ZINC000561505363 505363637 /nfs/dbraw/zinc/36/36/37/505363637.db2.gz HDQLLLQJLVGVPE-UHFFFAOYSA-N -1 3 368.524 3.207 20 0 FGADHM CCOc1ccncc1S(=O)(=O)[N-][C@H](C)c1ccc(OC(F)F)cc1 ZINC000558343479 505364162 /nfs/dbraw/zinc/36/41/62/505364162.db2.gz CLOCALBCMSKHAR-LLVKDONJSA-N -1 3 372.393 3.121 20 0 FGADHM CC(=O)c1cccc(NC(=O)c2ccc(CN3CCSCC3)cc2)c1[O-] ZINC000552069333 505389994 /nfs/dbraw/zinc/38/99/94/505389994.db2.gz OFIRYRORCFMLSF-UHFFFAOYSA-N -1 3 370.474 3.396 20 0 FGADHM CCCn1c(=O)[n-]nc1SCc1coc(-c2ccc(C(=O)OC)cc2)n1 ZINC000561619523 505392236 /nfs/dbraw/zinc/39/22/36/505392236.db2.gz YSULBKKQLSLMGN-UHFFFAOYSA-N -1 3 374.422 3.128 20 0 FGADHM O=C(N=c1cc2ccccn2[n-]1)N1CC(OCc2cccc3ccccc32)C1 ZINC000558467380 505398834 /nfs/dbraw/zinc/39/88/34/505398834.db2.gz RTVOAWLMOGPQRI-UHFFFAOYSA-N -1 3 372.428 3.342 20 0 FGADHM C[C@@H](NC(=O)N=c1cc2ccccn2[n-]1)c1nc(C2CCCCC2)no1 ZINC000558467377 505398876 /nfs/dbraw/zinc/39/88/76/505398876.db2.gz RSIUEKGWSPUEAZ-GFCCVEGCSA-N -1 3 354.414 3.070 20 0 FGADHM CCc1cccc(C(=O)N[C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)c1[O-] ZINC000561650948 505400323 /nfs/dbraw/zinc/40/03/23/505400323.db2.gz FBIPSYKTDBFBDK-CYBMUJFWSA-N -1 3 372.387 3.018 20 0 FGADHM CC(C)[C@H](NC(=O)N=c1cc2ccccn2[n-]1)c1ccc2c(c1)OCCO2 ZINC000558478419 505403413 /nfs/dbraw/zinc/40/34/13/505403413.db2.gz FMRLJMOMRCVOAF-IBGZPJMESA-N -1 3 366.421 3.046 20 0 FGADHM CCCS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C)c2F)cc1 ZINC000561696750 505412486 /nfs/dbraw/zinc/41/24/86/505412486.db2.gz FPBNEVGFLNVLAQ-UHFFFAOYSA-N -1 3 371.455 3.119 20 0 FGADHM O=S(=O)([N-]C[C@@H](CO)C1CCCCC1)c1ccccc1C(F)(F)F ZINC000555413996 505427082 /nfs/dbraw/zinc/42/70/82/505427082.db2.gz WJZNLUVHWSBACO-ZDUSSCGKSA-N -1 3 365.417 3.173 20 0 FGADHM CCOc1cc(CN2CCC(OC[C@H]3CCOC3)CC2)cc(Cl)c1[O-] ZINC000567330382 505430822 /nfs/dbraw/zinc/43/08/22/505430822.db2.gz ZFVITXPRIJYRJP-AWEZNQCLSA-N -1 3 369.889 3.462 20 0 FGADHM O=C(Nc1nnc(-c2cc3ccccc3o2)[n-]1)C1(C2CC2)CCOCC1 ZINC000555465516 505437205 /nfs/dbraw/zinc/43/72/05/505437205.db2.gz VBLKAVTXUWCEDB-UHFFFAOYSA-N -1 3 352.394 3.363 20 0 FGADHM O=C(Nc1nc(-c2cc3ccccc3o2)n[n-]1)C1(C2CC2)CCOCC1 ZINC000555465516 505437208 /nfs/dbraw/zinc/43/72/08/505437208.db2.gz VBLKAVTXUWCEDB-UHFFFAOYSA-N -1 3 352.394 3.363 20 0 FGADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)C1(C2CC2)CCOCC1 ZINC000555465516 505437211 /nfs/dbraw/zinc/43/72/11/505437211.db2.gz VBLKAVTXUWCEDB-UHFFFAOYSA-N -1 3 352.394 3.363 20 0 FGADHM Fc1cccc(F)c1-n1ccc(-c2nc(-c3ccc4n[n-]nc4c3)no2)n1 ZINC000555473341 505438869 /nfs/dbraw/zinc/43/88/69/505438869.db2.gz JAJGELKKBBHTGN-UHFFFAOYSA-N -1 3 365.303 3.139 20 0 FGADHM O=C(NCc1ccccc1N1CCCCC1)c1c[n-]nc1-c1ccccn1 ZINC000564522199 505440716 /nfs/dbraw/zinc/44/07/16/505440716.db2.gz UCHOTRKJJWFBDP-UHFFFAOYSA-N -1 3 361.449 3.392 20 0 FGADHM COC(=O)c1[n-]cnc1NC(=O)c1ccc(COc2ccccc2)cc1 ZINC000555512531 505444326 /nfs/dbraw/zinc/44/43/26/505444326.db2.gz BWQNSQNCNCHNPW-UHFFFAOYSA-N -1 3 351.362 3.028 20 0 FGADHM COC(=O)c1nc[n-]c1NC(=O)c1ccc(COc2ccccc2)cc1 ZINC000555512531 505444330 /nfs/dbraw/zinc/44/43/30/505444330.db2.gz BWQNSQNCNCHNPW-UHFFFAOYSA-N -1 3 351.362 3.028 20 0 FGADHM Cc1c2ccccc2nc(N[C@@H]2CCN(Cc3ccccc3)C2)c1C(=O)[O-] ZINC000567392605 505449126 /nfs/dbraw/zinc/44/91/26/505449126.db2.gz XNHUQJWBEUNASH-QGZVFWFLSA-N -1 3 361.445 3.350 20 0 FGADHM CN(C)C(=O)COc1cccc(NCc2cc([O-])cc(C(F)(F)F)c2)c1 ZINC000564616381 505470367 /nfs/dbraw/zinc/47/03/67/505470367.db2.gz QBHJZAZIHKTUPP-UHFFFAOYSA-N -1 3 368.355 3.490 20 0 FGADHM CCO[C@H]1C[C@@](NCc2ccc([O-])c3nc(C)ccc23)(C(=O)OC)C1(C)C ZINC000558735294 505477987 /nfs/dbraw/zinc/47/79/87/505477987.db2.gz LQRQFGAEHVOGTR-LAUBAEHRSA-N -1 3 372.465 3.085 20 0 FGADHM CC[C@@H](C)NC(=O)c1ccc(NC(=O)c2n[n-]nc2-c2ccccc2)cc1 ZINC000558736299 505478259 /nfs/dbraw/zinc/47/82/59/505478259.db2.gz RASCSWUDQFHOTN-CYBMUJFWSA-N -1 3 363.421 3.252 20 0 FGADHM O=C([O-])c1ccc(C(=O)NC[C@H]2CCCN(Cc3cccs3)C2)cc1 ZINC000567588083 505506842 /nfs/dbraw/zinc/50/68/42/505506842.db2.gz JVZZMWDLNPDKDG-CQSZACIVSA-N -1 3 358.463 3.088 20 0 FGADHM CN(C)[C@@H]1CCOc2c([N-]S(=O)(=O)Cc3ccc(F)cc3)cccc21 ZINC000555753355 505506861 /nfs/dbraw/zinc/50/68/61/505506861.db2.gz KTJZJZYBIXNNQG-QGZVFWFLSA-N -1 3 364.442 3.153 20 0 FGADHM COc1ccccc1-c1nc(NC(=O)Cc2cccc(Cl)c2F)n[n-]1 ZINC000562066093 505508196 /nfs/dbraw/zinc/50/81/96/505508196.db2.gz NQFKUORTZCIRLM-UHFFFAOYSA-N -1 3 360.776 3.454 20 0 FGADHM O=C(NCc1ncccc1[O-])c1cc(Cl)cc(F)c1Br ZINC000552545833 505511427 /nfs/dbraw/zinc/51/14/27/505511427.db2.gz AKIFFJJXQWUXHX-UHFFFAOYSA-N -1 3 359.582 3.272 20 0 FGADHM CCN(CCN1CCCCCC1)C(=O)c1cccc(Br)c1[O-] ZINC000564788795 505520217 /nfs/dbraw/zinc/52/02/17/505520217.db2.gz ANXPELIBHKZUJJ-UHFFFAOYSA-N -1 3 369.303 3.493 20 0 FGADHM CCc1cc(C(=O)NCc2ccc(OC(F)F)c(OC)c2)ccc1[O-] ZINC000558898208 505524793 /nfs/dbraw/zinc/52/47/93/505524793.db2.gz VIGZXVRRSNMFFG-UHFFFAOYSA-N -1 3 351.349 3.495 20 0 FGADHM O=C([N-]c1ncc(-c2ccccn2)s1)c1cnc(-c2ncccn2)s1 ZINC000552763737 505551287 /nfs/dbraw/zinc/55/12/87/505551287.db2.gz PGTCIUUHTBCRSO-UHFFFAOYSA-N -1 3 366.431 3.371 20 0 FGADHM CCc1oc(C(=O)[N-]c2cc(-c3ccccc3F)on2)cc1C(=O)OC ZINC000559050725 505557459 /nfs/dbraw/zinc/55/74/59/505557459.db2.gz XXMSMIYDIGVOQH-UHFFFAOYSA-N -1 3 358.325 3.097 20 0 FGADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@@H]1CCC[C@H](F)C1 ZINC000567774850 505561938 /nfs/dbraw/zinc/56/19/38/505561938.db2.gz VIJUNPPWTISORX-WDEREUQCSA-N -1 3 371.455 3.247 20 0 FGADHM C[C@@H](c1cc2ccccc2o1)N(C)C(=O)CN1C[C@H](C(=O)[O-])CC[C@H]1C ZINC000564965548 505564259 /nfs/dbraw/zinc/56/42/59/505564259.db2.gz JABYXYGDLTVENZ-IJEWVQPXSA-N -1 3 358.438 3.137 20 0 FGADHM COc1ccc(NC(=O)c2cc(OC)ccc2[O-])c(Br)c1 ZINC000589071057 506428696 /nfs/dbraw/zinc/42/86/96/506428696.db2.gz ZUICJEUMOMBHPD-UHFFFAOYSA-N -1 3 352.184 3.424 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc3nccn3c2)cc1Br ZINC000608258253 506479212 /nfs/dbraw/zinc/47/92/12/506479212.db2.gz BXARICHJRSKVIL-UHFFFAOYSA-N -1 3 366.240 3.206 20 0 FGADHM O=C(CSCCc1nnn[n-]1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000603335842 506488571 /nfs/dbraw/zinc/48/85/71/506488571.db2.gz ZHOVFTWKBLTCPF-UHFFFAOYSA-N -1 3 366.661 3.074 20 0 FGADHM O=C(CSCCc1nn[n-]n1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000603335842 506488575 /nfs/dbraw/zinc/48/85/75/506488575.db2.gz ZHOVFTWKBLTCPF-UHFFFAOYSA-N -1 3 366.661 3.074 20 0 FGADHM COc1ccccc1-c1cc(=NC(=O)[C@@H]2Cc3cc(C)c(C)cc3O2)[nH][n-]1 ZINC000608358060 506524162 /nfs/dbraw/zinc/52/41/62/506524162.db2.gz NUEAACIQBSDLNB-IBGZPJMESA-N -1 3 363.417 3.066 20 0 FGADHM CCO[C@H](C)c1ncc(C(=O)N=c2cc(-c3ccccc3OC)[n-][nH]2)s1 ZINC000608358244 506524369 /nfs/dbraw/zinc/52/43/69/506524369.db2.gz ZFBZOQQOPNJUJR-LLVKDONJSA-N -1 3 372.450 3.314 20 0 FGADHM COCCCOc1cccc(C(=O)N=c2[nH][n-]c(C)c2-c2ccccc2)c1 ZINC000608359506 506525645 /nfs/dbraw/zinc/52/56/45/506525645.db2.gz WWPYAGSWBMPNHE-UHFFFAOYSA-N -1 3 365.433 3.475 20 0 FGADHM Cc1cc(C)cc(-c2cc(=NC(=O)[C@@H]3Cc4cc(F)ccc4O3)[nH][n-]2)c1 ZINC000608359277 506526091 /nfs/dbraw/zinc/52/60/91/506526091.db2.gz UHGQXXSDXVETIB-SFHVURJKSA-N -1 3 351.381 3.197 20 0 FGADHM CCN1CCN(c2ccc(C(=O)Nc3c([O-])cccc3F)cc2F)CC1 ZINC000608366269 506529912 /nfs/dbraw/zinc/52/99/12/506529912.db2.gz HKLGSJRBTYTYNH-UHFFFAOYSA-N -1 3 361.392 3.065 20 0 FGADHM CC(=O)Nc1ccc(S(=O)(=O)[N-][C@@H](C)c2cc(C)cc(C)c2)c(F)c1 ZINC000593312736 506530904 /nfs/dbraw/zinc/53/09/04/506530904.db2.gz GSXTWYKQCDWWSU-ZDUSSCGKSA-N -1 3 364.442 3.440 20 0 FGADHM CSc1ccc([O-])c(C(=O)N(C)Cc2cc(Br)cn2C)c1 ZINC000612331639 506531259 /nfs/dbraw/zinc/53/12/59/506531259.db2.gz ZCJQKRXFCXIFAT-UHFFFAOYSA-N -1 3 369.284 3.487 20 0 FGADHM CC(C)OC(=O)C[C@@H](NC(=O)c1ccc2[nH][n-]c(=O)c2c1)c1ccccc1 ZINC000596686648 506537389 /nfs/dbraw/zinc/53/73/89/506537389.db2.gz FXTSSMPYJDHRBA-QGZVFWFLSA-N -1 3 367.405 3.081 20 0 FGADHM CO[C@H](CS(=O)(=O)[N-]c1ccc(OC(F)(F)F)c(Cl)c1)C1CC1 ZINC000583024802 506547187 /nfs/dbraw/zinc/54/71/87/506547187.db2.gz KGPUSLVVRFXYLK-GFCCVEGCSA-N -1 3 373.780 3.405 20 0 FGADHM Cc1ccc2[n-]cc(C(=O)N(C)C[C@@H]3OCCc4ccccc43)c(=O)c2c1 ZINC000583041389 506555926 /nfs/dbraw/zinc/55/59/26/506555926.db2.gz FBXJSDFRRJVACB-FQEVSTJZSA-N -1 3 362.429 3.223 20 0 FGADHM O=C(NCCSCC(F)(F)F)c1cc([O-])cc(Br)c1 ZINC000599726240 506603620 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3.433 20 0 FGADHM COC(=O)c1cc(C(=O)Nc2ccccc2NC(=O)c2cccs2)c[n-]1 ZINC000583328378 506720596 /nfs/dbraw/zinc/72/05/96/506720596.db2.gz HXTFUWMOVBDDPD-UHFFFAOYSA-N -1 3 369.402 3.367 20 0 FGADHM COC(=O)c1ccc(C(=O)Nc2cccc(-c3n[nH]c4c3CCCC4)c2)[n-]1 ZINC000590070405 506723797 /nfs/dbraw/zinc/72/37/97/506723797.db2.gz CNDKLOUSYBXXLR-UHFFFAOYSA-N -1 3 364.405 3.323 20 0 FGADHM Cc1nc(-c2ccc(NC(=O)NC[C@H](O)C3CCCCC3)cc2)cc(=O)[n-]1 ZINC000590081986 506729048 /nfs/dbraw/zinc/72/90/48/506729048.db2.gz WKQFARPLIMSEAY-SFHVURJKSA-N -1 3 370.453 3.220 20 0 FGADHM C[C@H]1C[C@@H]1Cc1nc(-c2nnc(-c3cccc(Br)c3)[n-]2)no1 ZINC000583411353 506762700 /nfs/dbraw/zinc/76/27/00/506762700.db2.gz GWLXZMIHWJRKIV-WCBMZHEXSA-N -1 3 360.215 3.483 20 0 FGADHM C[C@H]1C[C@@H]1Cc1nc(-c2nc(-c3cccc(Br)c3)n[n-]2)no1 ZINC000583411353 506762707 /nfs/dbraw/zinc/76/27/07/506762707.db2.gz GWLXZMIHWJRKIV-WCBMZHEXSA-N -1 3 360.215 3.483 20 0 FGADHM C[C@H]1C[C@@H]1Cc1nc(-c2n[n-]c(-c3cccc(Br)c3)n2)no1 ZINC000583411353 506762716 /nfs/dbraw/zinc/76/27/16/506762716.db2.gz GWLXZMIHWJRKIV-WCBMZHEXSA-N -1 3 360.215 3.483 20 0 FGADHM CCNC(=O)Nc1cccc(NC(=O)c2cc(OC)c([O-])c(OC)c2)c1C ZINC000583421086 506769449 /nfs/dbraw/zinc/76/94/49/506769449.db2.gz ZRNWNCKRUNEURB-UHFFFAOYSA-N -1 3 373.409 3.112 20 0 FGADHM CCOC(=O)[C@@]1(C)CCC[C@@H]1NC(=O)c1cc([O-])cc(Br)c1 ZINC000600108661 506780492 /nfs/dbraw/zinc/78/04/92/506780492.db2.gz GEZGUZFNMXDNIW-BBRMVZONSA-N -1 3 370.243 3.006 20 0 FGADHM CC(C)(CNC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)c1ccccc1Cl ZINC000590305275 506789868 /nfs/dbraw/zinc/78/98/68/506789868.db2.gz CNQPZGBTNZPPRT-UHFFFAOYSA-N -1 3 371.824 3.323 20 0 FGADHM Cc1c2ccccc2oc1CNC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000604334630 506791350 /nfs/dbraw/zinc/79/13/50/506791350.db2.gz IANJDGRDPUWKND-UHFFFAOYSA-N -1 3 358.419 3.043 20 0 FGADHM C[C@H](C(=O)Nc1cc(I)ccc1[O-])C(C)(F)F ZINC000590316347 506792343 /nfs/dbraw/zinc/79/23/43/506792343.db2.gz OAKGPZIHZXCLNI-ZCFIWIBFSA-N -1 3 355.122 3.227 20 0 FGADHM COC(=O)c1cc(Cl)cc(NC(=O)[C@H]2CCc3cccc(O)c32)c1[O-] ZINC000590379111 506806746 /nfs/dbraw/zinc/80/67/46/506806746.db2.gz QQPMWKUPGNALCY-NSHDSACASA-N -1 3 361.781 3.206 20 0 FGADHM Cc1noc(C)c1CCC(=O)Nc1nnc(-c2ccc3ccccc3n2)[n-]1 ZINC000590408323 506813970 /nfs/dbraw/zinc/81/39/70/506813970.db2.gz SPAHQTLNZGRNHC-UHFFFAOYSA-N -1 3 362.393 3.196 20 0 FGADHM Cc1noc(C)c1CCC(=O)Nc1nc(-c2ccc3ccccc3n2)n[n-]1 ZINC000590408323 506813975 /nfs/dbraw/zinc/81/39/75/506813975.db2.gz SPAHQTLNZGRNHC-UHFFFAOYSA-N -1 3 362.393 3.196 20 0 FGADHM Cc1noc(C)c1CCC(=O)Nc1n[n-]c(-c2ccc3ccccc3n2)n1 ZINC000590408323 506813978 /nfs/dbraw/zinc/81/39/78/506813978.db2.gz SPAHQTLNZGRNHC-UHFFFAOYSA-N -1 3 362.393 3.196 20 0 FGADHM Cc1cccc(OCC(=O)Nc2nnc(-c3ccc4ccccc4n3)[n-]2)c1 ZINC000590408424 506814037 /nfs/dbraw/zinc/81/40/37/506814037.db2.gz VUFMSEKQFFHHEV-UHFFFAOYSA-N -1 3 359.389 3.346 20 0 FGADHM Cc1cccc(OCC(=O)Nc2nc(-c3ccc4ccccc4n3)n[n-]2)c1 ZINC000590408424 506814041 /nfs/dbraw/zinc/81/40/41/506814041.db2.gz VUFMSEKQFFHHEV-UHFFFAOYSA-N -1 3 359.389 3.346 20 0 FGADHM Cc1cccc(OCC(=O)Nc2n[n-]c(-c3ccc4ccccc4n3)n2)c1 ZINC000590408424 506814045 /nfs/dbraw/zinc/81/40/45/506814045.db2.gz VUFMSEKQFFHHEV-UHFFFAOYSA-N -1 3 359.389 3.346 20 0 FGADHM Cc1ccc(C[C@H]([N-]S(=O)(=O)c2cncc(F)c2)c2ccccn2)cc1 ZINC000604410977 506823283 /nfs/dbraw/zinc/82/32/83/506823283.db2.gz SHLMNRRWPHQSES-IBGZPJMESA-N -1 3 371.437 3.186 20 0 FGADHM Cc1ccc(-c2nnc(NC(=O)[C@@]3(C(=O)OC(C)(C)C)CC=CCC3)[n-]2)o1 ZINC000593894425 506824146 /nfs/dbraw/zinc/82/41/46/506824146.db2.gz HZIVUNBSNGPGEM-LJQANCHMSA-N -1 3 372.425 3.380 20 0 FGADHM Cc1ccc(-c2n[n-]c(NC(=O)[C@@]3(C(=O)OC(C)(C)C)CC=CCC3)n2)o1 ZINC000593894425 506824154 /nfs/dbraw/zinc/82/41/54/506824154.db2.gz HZIVUNBSNGPGEM-LJQANCHMSA-N -1 3 372.425 3.380 20 0 FGADHM Cc1ccc(-c2nc(NC(=O)[C@@]3(C(=O)OC(C)(C)C)CC=CCC3)n[n-]2)o1 ZINC000593894425 506824160 /nfs/dbraw/zinc/82/41/60/506824160.db2.gz HZIVUNBSNGPGEM-LJQANCHMSA-N -1 3 372.425 3.380 20 0 FGADHM CC(=O)c1ccc(C(=O)N[C@H]2CC(C)(C)Oc3ccc(N)cc32)cc1[O-] ZINC000583629776 506886246 /nfs/dbraw/zinc/88/62/46/506886246.db2.gz FTDYRJHZWOVCSH-INIZCTEOSA-N -1 3 354.406 3.209 20 0 FGADHM COCc1cc(C[N-]S(=O)(=O)c2cccc(Cl)c2F)ccc1F ZINC000594030194 506894200 /nfs/dbraw/zinc/89/42/00/506894200.db2.gz WMHKIESOCVFLBG-UHFFFAOYSA-N -1 3 361.797 3.243 20 0 FGADHM O=C(CSC1CC1)Nc1n[n-]c(-c2ccc(Br)cc2F)n1 ZINC000590666720 506900558 /nfs/dbraw/zinc/90/05/58/506900558.db2.gz SMYVXRZWGUCSQQ-UHFFFAOYSA-N -1 3 371.235 3.207 20 0 FGADHM CCOC(=O)C[C@@H](NC(=O)c1ccc2[nH][n-]c(=O)c2c1)c1ccccc1C ZINC000597335157 506903369 /nfs/dbraw/zinc/90/33/69/506903369.db2.gz YNOYJYQKUIGLKF-QGZVFWFLSA-N -1 3 367.405 3.001 20 0 FGADHM O=S(=O)([N-]C[C@H]1Cc2ccccc21)c1cc(C(F)(F)F)ccc1F ZINC000590793742 506961609 /nfs/dbraw/zinc/96/16/09/506961609.db2.gz TZAZQEORQOJQOZ-LLVKDONJSA-N -1 3 359.344 3.463 20 0 FGADHM O=C([N-]c1nc2ccccn2n1)c1nc2ccccc2cc1Br ZINC000583776138 506966173 /nfs/dbraw/zinc/96/61/73/506966173.db2.gz 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CCOC(=O)c1nc(C)[n-]c1NC(=O)Cc1csc(-c2ccccc2)n1 ZINC000610108756 507102348 /nfs/dbraw/zinc/10/23/48/507102348.db2.gz IISLUDQUWDFDMN-UHFFFAOYSA-N -1 3 370.434 3.200 20 0 FGADHM CC(=O)c1ccc(C(=O)N2CCCC[C@@H]2CC(=O)OC(C)(C)C)cc1[O-] ZINC000597817084 507116953 /nfs/dbraw/zinc/11/69/53/507116953.db2.gz KJHKXZWRBCTECC-OAHLLOKOSA-N -1 3 361.438 3.321 20 0 FGADHM CSC[C@H](C)C(=O)N1CCC(C(=O)Nc2c([O-])cccc2Cl)CC1 ZINC000584062200 507132634 /nfs/dbraw/zinc/13/26/34/507132634.db2.gz ICENWQGWHJPTQF-NSHDSACASA-N -1 3 370.902 3.222 20 0 FGADHM CC[C@H]1CN(c2ccccc2)CCN1C(=O)c1ccc2[nH][n-]c(=O)c2c1 ZINC000613526192 507133979 /nfs/dbraw/zinc/13/39/79/507133979.db2.gz AMNCLPRTZCNEMM-HNNXBMFYSA-N -1 3 350.422 3.010 20 0 FGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)C2CCC(F)(F)CC2)s1 ZINC000594487882 507152104 /nfs/dbraw/zinc/15/21/04/507152104.db2.gz NXDZZCODUXNGLE-VIFPVBQESA-N -1 3 367.439 3.027 20 0 FGADHM COC(=O)c1cc(CN2CCC(c3ccccc3C(=O)[O-])CC2)oc1C ZINC000591270405 507177216 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COc1ccc(CNC(=O)c2c[n-][nH]c2=NC(=O)[C@H]2CCCC2(C)C)cc1 ZINC000483051293 515903407 /nfs/dbraw/zinc/90/34/07/515903407.db2.gz QXHFTYXHVOOQFX-MRXNPFEDSA-N -1 3 370.453 3.113 20 0 FGADHM CN(C)CCN(Cc1ccccc1)C(=O)N=c1ccc(C(F)(F)F)n[n-]1 ZINC000483862372 516228886 /nfs/dbraw/zinc/22/88/86/516228886.db2.gz SADAFWFZKYDUCN-UHFFFAOYSA-N -1 3 367.375 3.091 20 0 FGADHM CCc1[n-][nH]c(=NC(=O)c2csnc2C)c1-c1ccc2c(c1)OCO2 ZINC000512685693 516321096 /nfs/dbraw/zinc/32/10/96/516321096.db2.gz RQJDIBGPTDRFPV-UHFFFAOYSA-N -1 3 356.407 3.385 20 0 FGADHM Cn1[n-]c(=NC(=O)[C@@H]2[C@@H]3Cc4c(cccc4Cl)[C@@H]32)cc1OC(F)F ZINC000529070023 516901396 /nfs/dbraw/zinc/90/13/96/516901396.db2.gz HYKWAGBOVSTASK-BIGNPOOSSA-N -1 3 353.756 3.199 20 0 FGADHM COc1ccc(C2(C(=O)N=c3cc([C@@H]4CCCO4)[n-][nH]3)CCC2)cc1OC ZINC000525968090 517262889 /nfs/dbraw/zinc/26/28/89/517262889.db2.gz ALYLKTBICBUWQQ-HNNXBMFYSA-N -1 3 371.437 3.339 20 0 FGADHM CN1CCC[C@H]1CNC(=O)N=c1[n-]nc(-c2cc3ccccc3o2)s1 ZINC000526068715 517324925 /nfs/dbraw/zinc/32/49/25/517324925.db2.gz STUAZZQRIZOWDG-LBPRGKRZSA-N -1 3 357.439 3.167 20 0 FGADHM C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N=c1ccc(C2CC2)n[n-]1 ZINC000533307958 517398003 /nfs/dbraw/zinc/39/80/03/517398003.db2.gz LYKROPOKRGOWEC-YJBOKZPZSA-N -1 3 365.481 3.386 20 0 FGADHM CCc1c(C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)cnn1-c1ccc(F)cc1 ZINC000526959336 517411146 /nfs/dbraw/zinc/41/11/46/517411146.db2.gz JNQVGULMLLAXOE-KRWDZBQOSA-N -1 3 369.400 3.401 20 0 FGADHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000526960322 517411494 /nfs/dbraw/zinc/41/14/94/517411494.db2.gz WSSNCAQAPGPHLE-RBZYPMLTSA-N -1 3 351.328 3.421 20 0 FGADHM COc1cc(=NC(=O)C2(Cc3ccccc3Br)CC2)[n-]n1C ZINC000515682123 517446966 /nfs/dbraw/zinc/44/69/66/517446966.db2.gz RYNJVEKFHWQZOI-UHFFFAOYSA-N -1 3 364.243 3.153 20 0 FGADHM COc1ccc(Br)cc1C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000527209039 517561472 /nfs/dbraw/zinc/56/14/72/517561472.db2.gz UMCFPUPAVXMALN-ZDUSSCGKSA-N -1 3 366.215 3.285 20 0 FGADHM COCCn1cc(C(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)c2ccccc21 ZINC000527209287 517561816 /nfs/dbraw/zinc/56/18/16/517561816.db2.gz YGRVNPHTVOUANY-QGZVFWFLSA-N -1 3 354.410 3.115 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@H]2[C@@H](C)[C@H](C)O[C@H]2C)c1-c1ccc2c(c1)OCCO2 ZINC000530266035 517667626 /nfs/dbraw/zinc/66/76/26/517667626.db2.gz MZUQXGRTWJGNPJ-PYERRIOISA-N -1 3 371.437 3.154 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)c1-c1ccc2c(c1)OCCO2 ZINC000530266034 517667799 /nfs/dbraw/zinc/66/77/99/517667799.db2.gz MZUQXGRTWJGNPJ-IMODNSLOSA-N -1 3 371.437 3.154 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)c2ccnc(O[C@@H]3CCOC3)c2)c1-c1ccccc1 ZINC000542688855 517688407 /nfs/dbraw/zinc/68/84/07/517688407.db2.gz SBCHSZSNRYQYDI-MRXNPFEDSA-N -1 3 364.405 3.200 20 0 FGADHM CCOC(=O)c1cnc(C)c(C(=O)N=c2cc(-c3ccccc3)[n-][nH]2)c1 ZINC000539374881 518015444 /nfs/dbraw/zinc/01/54/44/518015444.db2.gz OLZFWUGTMCMCDT-UHFFFAOYSA-N -1 3 350.378 3.209 20 0 FGADHM CCC(CC)[C@@H](C)C(=O)N=c1[nH][n-]cc1C(=O)NCc1ccc(OC)cc1 ZINC000534947197 518091984 /nfs/dbraw/zinc/09/19/84/518091984.db2.gz VFDZWNFGPKPWQA-CYBMUJFWSA-N -1 3 372.469 3.359 20 0 FGADHM Cc1nn(Cc2ccccc2)c(C)c1C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000616827074 520163767 /nfs/dbraw/zinc/16/37/67/520163767.db2.gz YRWIWSDOUVCFTH-QGZVFWFLSA-N -1 3 365.437 3.375 20 0 FGADHM COc1ccccc1-c1cc(=NC(=O)CSC[C@H]2CCCCO2)[nH][n-]1 ZINC000608987000 520173355 /nfs/dbraw/zinc/17/33/55/520173355.db2.gz RIOLNPFAKSXQJR-CYBMUJFWSA-N -1 3 361.467 3.326 20 0 FGADHM COC(=O)Cc1cccc(C(=O)N=c2cc(-c3cc(F)cc(F)c3)[n-][nH]2)c1 ZINC000614630314 521057532 /nfs/dbraw/zinc/05/75/32/521057532.db2.gz YVWACSKQFVXXKV-UHFFFAOYSA-N -1 3 371.343 3.323 20 0 FGADHM Cn1cc(I)c(=NC(=O)C2(C)CCCCCC2)[n-]1 ZINC000602383066 521310678 /nfs/dbraw/zinc/31/06/78/521310678.db2.gz ZTLNTWICIIHEDB-UHFFFAOYSA-N -1 3 361.227 3.324 20 0 FGADHM CC[C@H](C(=O)N=c1[n-]n(C)cc1I)c1ccccc1 ZINC000602383296 521311253 /nfs/dbraw/zinc/31/12/53/521311253.db2.gz BOONHALXLFCFGH-NSHDSACASA-N -1 3 369.206 3.157 20 0 FGADHM Cc1nc(-c2ccc(NCCN3Cc4ccccc4C3)nc2)[n-]c(=O)c1C ZINC000608081091 521604996 /nfs/dbraw/zinc/60/49/96/521604996.db2.gz PMAPBBOOVOKBIX-UHFFFAOYSA-N -1 3 361.449 3.289 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)c2ccc(C)c(S(C)(=O)=O)c2)c1-c1ccccc1 ZINC000623490113 522062377 /nfs/dbraw/zinc/06/23/77/522062377.db2.gz NZLPBVCVXWKTJF-UHFFFAOYSA-N -1 3 369.446 3.349 20 0 FGADHM O=C(N=c1[n-]nc(/C=C\c2ccco2)s1)NC[C@@H]1CCN1C1CCCC1 ZINC000626466158 522210428 /nfs/dbraw/zinc/21/04/28/522210428.db2.gz LURQIBFJFADACH-DANTVBBOSA-N -1 3 373.482 3.440 20 0 FGADHM COc1cccc(-c2c(C)[n-][nH]c2=NC(=O)[C@H](C)n2nc(C)cc2C)c1 ZINC000629694523 522397103 /nfs/dbraw/zinc/39/71/03/522397103.db2.gz WSFCJROQJFRHKG-AWEZNQCLSA-N -1 3 353.426 3.407 20 0 FGADHM COc1ccc(CN2CCC(CN=c3[nH]cc(C(=O)[O-])s3)CC2)cc1 ZINC000630455459 522860607 /nfs/dbraw/zinc/86/06/07/522860607.db2.gz IEHSDAZOGLJYBN-UHFFFAOYSA-N -1 3 361.467 3.174 20 0 FGADHM COc1cc(C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)ccc1Br ZINC000628032192 523282807 /nfs/dbraw/zinc/28/28/07/523282807.db2.gz PUWACJHUZZBGKE-LBPRGKRZSA-N -1 3 366.215 3.285 20 0 FGADHM CC(C)Oc1ccc(=NC(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)[n-]n1 ZINC000499497731 561552310 /nfs/dbraw/zinc/55/23/10/561552310.db2.gz LGCYQKAWMFQDBI-KRWDZBQOSA-N -1 3 369.469 3.002 20 0 FGADHM Cc1cc(C)cc(-c2cc(=NC(=O)[C@H](C)NC(=O)c3ccoc3)[nH][n-]2)c1 ZINC000512545517 561908792 /nfs/dbraw/zinc/90/87/92/561908792.db2.gz OZRYDMCGWQQDHC-ZDUSSCGKSA-N -1 3 352.394 3.044 20 0 FGADHM COCc1n[n-]c(=NCC2CCN(Cc3ccc(OC)cc3)CC2)s1 ZINC000477181452 561138607 /nfs/dbraw/zinc/13/86/07/561138607.db2.gz SPDGVEMVCYOQKK-UHFFFAOYSA-N -1 3 362.499 3.017 20 0 FGADHM Cc1csc2ncc(C(=O)N=c3[nH][n-]c(C)c3-c3ccccc3)c(=O)n12 ZINC000540680157 562591181 /nfs/dbraw/zinc/59/11/81/562591181.db2.gz QOOZYBDHIKTRGF-UHFFFAOYSA-N -1 3 365.418 3.015 20 0 FGADHM Cc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1cccnc1C(F)(F)F)CC2 ZINC000672383660 568049962 /nfs/dbraw/zinc/04/99/62/568049962.db2.gz DAJREBWZHFVTOI-ZDUSSCGKSA-N -1 3 356.369 3.375 20 0 FGADHM CC(=O)c1cc(F)c([N-]C(=O)c2ccn(C3CCOCC3)n2)c(F)c1F ZINC000637069611 568339640 /nfs/dbraw/zinc/33/96/40/568339640.db2.gz FOCIOXUUPRALJM-UHFFFAOYSA-N -1 3 367.327 3.107 20 0 FGADHM C[C@@]1(c2ccccc2)CCCN(C(=O)C=Cc2ccccc2-c2nnn[n-]2)C1 ZINC000736227430 598826713 /nfs/dbraw/zinc/82/67/13/598826713.db2.gz DGMOQQSJSCDSBY-OTDUKCBNSA-N -1 3 373.460 3.460 20 0 FGADHM C[C@@]1(c2ccccc2)CCCN(C(=O)C=Cc2ccccc2-c2nn[n-]n2)C1 ZINC000736227430 598826715 /nfs/dbraw/zinc/82/67/15/598826715.db2.gz DGMOQQSJSCDSBY-OTDUKCBNSA-N -1 3 373.460 3.460 20 0 FGADHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1Cc1ccccc1Cl ZINC000737526118 598827090 /nfs/dbraw/zinc/82/70/90/598827090.db2.gz WEFNNPACAZMCCF-UHFFFAOYSA-N -1 3 351.801 3.135 20 0 FGADHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1Cc1ccccc1Cl ZINC000737526118 598827093 /nfs/dbraw/zinc/82/70/93/598827093.db2.gz WEFNNPACAZMCCF-UHFFFAOYSA-N -1 3 351.801 3.135 20 0 FGADHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1Cc1c(F)cccc1Cl ZINC000737523734 598828246 /nfs/dbraw/zinc/82/82/46/598828246.db2.gz IJKDNAKGGOLCLU-UHFFFAOYSA-N -1 3 369.791 3.274 20 0 FGADHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1Cc1c(F)cccc1Cl ZINC000737523734 598828248 /nfs/dbraw/zinc/82/82/48/598828248.db2.gz IJKDNAKGGOLCLU-UHFFFAOYSA-N -1 3 369.791 3.274 20 0 FGADHM Cc1cc2cc(N[C@@H](C)C(=O)Nc3cccc(-c4nnn[n-]4)c3)ccc2[nH]1 ZINC000737283367 598836339 /nfs/dbraw/zinc/83/63/39/598836339.db2.gz DHCFNNLFJZMRFN-LBPRGKRZSA-N -1 3 361.409 3.096 20 0 FGADHM Cc1cc2cc(N[C@@H](C)C(=O)Nc3cccc(-c4nn[n-]n4)c3)ccc2[nH]1 ZINC000737283367 598836340 /nfs/dbraw/zinc/83/63/40/598836340.db2.gz DHCFNNLFJZMRFN-LBPRGKRZSA-N -1 3 361.409 3.096 20 0 FGADHM Cc1ccc(C[C@H]2CCCN2C(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737334012 598839021 /nfs/dbraw/zinc/83/90/21/598839021.db2.gz FFHXZBZLBWPMJQ-GOSISDBHSA-N -1 3 362.437 3.414 20 0 FGADHM Cc1ccc(C[C@H]2CCCN2C(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737334012 598839022 /nfs/dbraw/zinc/83/90/22/598839022.db2.gz FFHXZBZLBWPMJQ-GOSISDBHSA-N -1 3 362.437 3.414 20 0 FGADHM Cc1ccc(C[C@@H]2CCCN2C(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737333953 598839148 /nfs/dbraw/zinc/83/91/48/598839148.db2.gz DBGBXQOGHFEESG-SFHVURJKSA-N -1 3 362.437 3.414 20 0 FGADHM Cc1ccc(C[C@@H]2CCCN2C(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737333953 598839149 /nfs/dbraw/zinc/83/91/49/598839149.db2.gz DBGBXQOGHFEESG-SFHVURJKSA-N -1 3 362.437 3.414 20 0 FGADHM O=C(Nc1ccc(OCC2CC2)cc1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000738175338 598839703 /nfs/dbraw/zinc/83/97/03/598839703.db2.gz XJEOZVCDDGJPPA-UHFFFAOYSA-N -1 3 350.382 3.300 20 0 FGADHM O=C(Nc1ccc(OCC2CC2)cc1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000738175338 598839704 /nfs/dbraw/zinc/83/97/04/598839704.db2.gz XJEOZVCDDGJPPA-UHFFFAOYSA-N -1 3 350.382 3.300 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)N[C@H]1CC=CCC1 ZINC000823303685 599295322 /nfs/dbraw/zinc/29/53/22/599295322.db2.gz RBJJHFVQERXXCV-VIFPVBQESA-N -1 3 352.320 3.116 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)N[C@H]1CC=CCC1 ZINC000823303685 599295324 /nfs/dbraw/zinc/29/53/24/599295324.db2.gz RBJJHFVQERXXCV-VIFPVBQESA-N -1 3 352.320 3.116 20 0 FGADHM CC[C@@H](C(=O)O[C@H](C)COc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000736313542 598884866 /nfs/dbraw/zinc/88/48/66/598884866.db2.gz MTVDCGLIKNULIV-RDTXWAMCSA-N -1 3 366.421 3.371 20 0 FGADHM CC[C@@H](C(=O)O[C@H](C)COc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000736313542 598884867 /nfs/dbraw/zinc/88/48/67/598884867.db2.gz MTVDCGLIKNULIV-RDTXWAMCSA-N -1 3 366.421 3.371 20 0 FGADHM C[C@H]1C[C@@H]1CNC(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000736241414 598888788 /nfs/dbraw/zinc/88/87/88/598888788.db2.gz XTOUIHBFLJRSPR-SMDDNHRTSA-N -1 3 368.466 3.050 20 0 FGADHM S=C(NCc1coc2ccccc12)Nc1ccccc1-c1nnn[n-]1 ZINC000738400242 598902881 /nfs/dbraw/zinc/90/28/81/598902881.db2.gz BWJVQBCIVIZDMN-UHFFFAOYSA-N -1 3 350.407 3.100 20 0 FGADHM S=C(NCc1coc2ccccc12)Nc1ccccc1-c1nn[n-]n1 ZINC000738400242 598902883 /nfs/dbraw/zinc/90/28/83/598902883.db2.gz BWJVQBCIVIZDMN-UHFFFAOYSA-N -1 3 350.407 3.100 20 0 FGADHM CCn1cc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCCC3)cn1 ZINC000736718446 598904536 /nfs/dbraw/zinc/90/45/36/598904536.db2.gz LNHAMYASQMXRII-UHFFFAOYSA-N -1 3 371.470 3.056 20 0 FGADHM CCn1cc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCCC3)cn1 ZINC000736718446 598904538 /nfs/dbraw/zinc/90/45/38/598904538.db2.gz LNHAMYASQMXRII-UHFFFAOYSA-N -1 3 371.470 3.056 20 0 FGADHM CC(C)c1ccc([C@H]2C[C@H]2C(=O)NCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735924034 598910856 /nfs/dbraw/zinc/91/08/56/598910856.db2.gz OGHILGDJPCIPDC-RTBURBONSA-N -1 3 361.449 3.410 20 0 FGADHM CC(C)c1ccc([C@H]2C[C@H]2C(=O)NCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735924034 598910859 /nfs/dbraw/zinc/91/08/59/598910859.db2.gz OGHILGDJPCIPDC-RTBURBONSA-N -1 3 361.449 3.410 20 0 FGADHM CSc1ccc(O[C@H](C)C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)cc1 ZINC000737190623 598912704 /nfs/dbraw/zinc/91/27/04/598912704.db2.gz OFAKKVFJTQZACS-GFCCVEGCSA-N -1 3 369.450 3.303 20 0 FGADHM CSc1ccc(O[C@H](C)C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)cc1 ZINC000737190623 598912706 /nfs/dbraw/zinc/91/27/06/598912706.db2.gz OFAKKVFJTQZACS-GFCCVEGCSA-N -1 3 369.450 3.303 20 0 FGADHM CN(C(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccc2ccccc2n1 ZINC000736731745 598912881 /nfs/dbraw/zinc/91/28/81/598912881.db2.gz GPIZJJJBERLASU-QBFSEMIESA-N -1 3 356.389 3.091 20 0 FGADHM CN(C(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ccc2ccccc2n1 ZINC000736731745 598912882 /nfs/dbraw/zinc/91/28/82/598912882.db2.gz GPIZJJJBERLASU-QBFSEMIESA-N -1 3 356.389 3.091 20 0 FGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N[C@@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000738178132 598913129 /nfs/dbraw/zinc/91/31/29/598913129.db2.gz FDUVJXYJZQOXJK-SMDDNHRTSA-N -1 3 372.791 3.337 20 0 FGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N[C@@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000738178132 598913131 /nfs/dbraw/zinc/91/31/31/598913131.db2.gz FDUVJXYJZQOXJK-SMDDNHRTSA-N -1 3 372.791 3.337 20 0 FGADHM O=C(NCc1cccs1)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000823261104 599292885 /nfs/dbraw/zinc/29/28/85/599292885.db2.gz AJYXPPADHOJKMU-UHFFFAOYSA-N -1 3 368.344 3.269 20 0 FGADHM O=C(NCc1cccs1)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823261104 599292887 /nfs/dbraw/zinc/29/28/87/599292887.db2.gz AJYXPPADHOJKMU-UHFFFAOYSA-N -1 3 368.344 3.269 20 0 FGADHM C[C@@H]1CCCC[C@@H]1CCNC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736261629 598921853 /nfs/dbraw/zinc/92/18/53/598921853.db2.gz LDGBPWKFECBBTF-GDBMZVCRSA-N -1 3 356.474 3.225 20 0 FGADHM C[C@@H]1CCCC[C@@H]1CCNC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736261629 598921855 /nfs/dbraw/zinc/92/18/55/598921855.db2.gz LDGBPWKFECBBTF-GDBMZVCRSA-N -1 3 356.474 3.225 20 0 FGADHM CC(C)[C@@H]1CCCN(C(=O)CSCc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000735752303 598928586 /nfs/dbraw/zinc/92/85/86/598928586.db2.gz ZTHBODMDLWIRES-MRXNPFEDSA-N -1 3 373.526 3.385 20 0 FGADHM CC(C)[C@@H]1CCCN(C(=O)CSCc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735752303 598928589 /nfs/dbraw/zinc/92/85/89/598928589.db2.gz ZTHBODMDLWIRES-MRXNPFEDSA-N -1 3 373.526 3.385 20 0 FGADHM Clc1cc(-c2nnn[n-]2)cnc1Nc1ccc(OC[C@H]2CCCO2)cc1 ZINC000737558933 598939491 /nfs/dbraw/zinc/93/94/91/598939491.db2.gz SCDDBQCRAYGTGF-CQSZACIVSA-N -1 3 372.816 3.217 20 0 FGADHM Clc1cc(-c2nn[n-]n2)cnc1Nc1ccc(OC[C@H]2CCCO2)cc1 ZINC000737558933 598939493 /nfs/dbraw/zinc/93/94/93/598939493.db2.gz SCDDBQCRAYGTGF-CQSZACIVSA-N -1 3 372.816 3.217 20 0 FGADHM O=C(Nc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1)C1CC=CC1 ZINC000738184102 598940326 /nfs/dbraw/zinc/94/03/26/598940326.db2.gz BCCTVUILMPTOON-UHFFFAOYSA-N -1 3 361.405 3.350 20 0 FGADHM O=C(Nc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1)C1CC=CC1 ZINC000738184102 598940327 /nfs/dbraw/zinc/94/03/27/598940327.db2.gz BCCTVUILMPTOON-UHFFFAOYSA-N -1 3 361.405 3.350 20 0 FGADHM CCCc1ccc(N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)cc1 ZINC000736496830 598959777 /nfs/dbraw/zinc/95/97/77/598959777.db2.gz IYOORNGYVBKRTE-GOSISDBHSA-N -1 3 362.437 3.037 20 0 FGADHM CCCc1ccc(N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)cc1 ZINC000736496830 598959778 /nfs/dbraw/zinc/95/97/78/598959778.db2.gz IYOORNGYVBKRTE-GOSISDBHSA-N -1 3 362.437 3.037 20 0 FGADHM Cc1cccc(NC2CCN(c3ncc(-c4nnn[n-]4)cc3Cl)CC2)c1 ZINC000737399549 598975500 /nfs/dbraw/zinc/97/55/00/598975500.db2.gz LUPRGGAPVCBMKQ-UHFFFAOYSA-N -1 3 369.860 3.304 20 0 FGADHM Cc1cccc(NC2CCN(c3ncc(-c4nn[n-]n4)cc3Cl)CC2)c1 ZINC000737399549 598975501 /nfs/dbraw/zinc/97/55/01/598975501.db2.gz LUPRGGAPVCBMKQ-UHFFFAOYSA-N -1 3 369.860 3.304 20 0 FGADHM Cc1cccc(NC2CCN(c3ccc(-c4nn[n-]n4)cc3F)CC2)c1 ZINC000737398663 598975712 /nfs/dbraw/zinc/97/57/12/598975712.db2.gz DFWUUPAJLPNOLY-UHFFFAOYSA-N -1 3 352.417 3.395 20 0 FGADHM Fc1cc(NCc2ccon2)ccc1OCc1cccc(-c2nnn[n-]2)c1 ZINC000737648858 598979703 /nfs/dbraw/zinc/97/97/03/598979703.db2.gz CFSTUCKDUKSHST-UHFFFAOYSA-N -1 3 366.356 3.185 20 0 FGADHM Fc1cc(NCc2ccon2)ccc1OCc1cccc(-c2nn[n-]n2)c1 ZINC000737648858 598979705 /nfs/dbraw/zinc/97/97/05/598979705.db2.gz CFSTUCKDUKSHST-UHFFFAOYSA-N -1 3 366.356 3.185 20 0 FGADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)C1(c2cccc(F)c2)CC1 ZINC000738163909 598987066 /nfs/dbraw/zinc/98/70/66/598987066.db2.gz RKYPYWFYHYNGHM-UHFFFAOYSA-N -1 3 357.776 3.330 20 0 FGADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)C1(c2cccc(F)c2)CC1 ZINC000738163909 598987068 /nfs/dbraw/zinc/98/70/68/598987068.db2.gz RKYPYWFYHYNGHM-UHFFFAOYSA-N -1 3 357.776 3.330 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)Nc1ccccc1OCC1CC1 ZINC000738151464 599013182 /nfs/dbraw/zinc/01/31/82/599013182.db2.gz KNBVQJYVTWYXJU-UHFFFAOYSA-N -1 3 350.382 3.300 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)Nc1ccccc1OCC1CC1 ZINC000738151464 599013185 /nfs/dbraw/zinc/01/31/85/599013185.db2.gz KNBVQJYVTWYXJU-UHFFFAOYSA-N -1 3 350.382 3.300 20 0 FGADHM C[C@H]1CCC[C@@H](CCNC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736253263 599016850 /nfs/dbraw/zinc/01/68/50/599016850.db2.gz UFPBBVIZXDCDLV-GJZGRUSLSA-N -1 3 373.526 3.433 20 0 FGADHM C[C@H]1CCC[C@@H](CCNC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736253263 599016852 /nfs/dbraw/zinc/01/68/52/599016852.db2.gz UFPBBVIZXDCDLV-GJZGRUSLSA-N -1 3 373.526 3.433 20 0 FGADHM Cc1cccc2c(CC(=O)N[C@@H](C)c3ccc(-c4nnn[n-]4)cc3)c[nH]c21 ZINC000737410573 599035606 /nfs/dbraw/zinc/03/56/06/599035606.db2.gz VHJOZDPFCSLZMC-ZDUSSCGKSA-N -1 3 360.421 3.076 20 0 FGADHM Cc1cccc2c(CC(=O)N[C@@H](C)c3ccc(-c4nn[n-]n4)cc3)c[nH]c21 ZINC000737410573 599035609 /nfs/dbraw/zinc/03/56/09/599035609.db2.gz VHJOZDPFCSLZMC-ZDUSSCGKSA-N -1 3 360.421 3.076 20 0 FGADHM CCCN(C[C@@H]1CCCCO1)c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000736472788 599053772 /nfs/dbraw/zinc/05/37/72/599053772.db2.gz ZQDNMIYDYROIKZ-NSHDSACASA-N -1 3 370.379 3.066 20 0 FGADHM CCCN(C[C@@H]1CCCCO1)c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000736472788 599053775 /nfs/dbraw/zinc/05/37/75/599053775.db2.gz ZQDNMIYDYROIKZ-NSHDSACASA-N -1 3 370.379 3.066 20 0 FGADHM Cc1cc(Sc2ccc(-c3nnn[n-]3)cc2F)nc(-c2cccnc2)n1 ZINC000822213099 599057480 /nfs/dbraw/zinc/05/74/80/599057480.db2.gz UPAIFRZAOIRETE-UHFFFAOYSA-N -1 3 365.397 3.317 20 0 FGADHM Cc1cc(Sc2ccc(-c3nn[n-]n3)cc2F)nc(-c2cccnc2)n1 ZINC000822213099 599057483 /nfs/dbraw/zinc/05/74/83/599057483.db2.gz UPAIFRZAOIRETE-UHFFFAOYSA-N -1 3 365.397 3.317 20 0 FGADHM C[C@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(=O)N[C@H]1CCCC[C@H]1C ZINC000736192941 599063650 /nfs/dbraw/zinc/06/36/50/599063650.db2.gz NZXGFPVOXWZKFW-SUNKGSAMSA-N -1 3 363.462 3.181 20 0 FGADHM C[C@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(=O)N[C@H]1CCCC[C@H]1C ZINC000736192941 599063652 /nfs/dbraw/zinc/06/36/52/599063652.db2.gz NZXGFPVOXWZKFW-SUNKGSAMSA-N -1 3 363.462 3.181 20 0 FGADHM C[C@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(=O)N(C)Cc1ccccc1 ZINC000736189139 599067062 /nfs/dbraw/zinc/06/70/62/599067062.db2.gz ASPAQOLRQPXFPY-LBPRGKRZSA-N -1 3 371.441 3.145 20 0 FGADHM C[C@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(=O)N(C)Cc1ccccc1 ZINC000736189139 599067064 /nfs/dbraw/zinc/06/70/64/599067064.db2.gz ASPAQOLRQPXFPY-LBPRGKRZSA-N -1 3 371.441 3.145 20 0 FGADHM C[C@@H]1CN(c2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)C[C@H](C)S1 ZINC000820766155 599073984 /nfs/dbraw/zinc/07/39/84/599073984.db2.gz ADIYGMIBIYRCTA-DTORHVGOSA-N -1 3 362.409 3.023 20 0 FGADHM C[C@@H]1CN(c2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)C[C@H](C)S1 ZINC000820766155 599073986 /nfs/dbraw/zinc/07/39/86/599073986.db2.gz ADIYGMIBIYRCTA-DTORHVGOSA-N -1 3 362.409 3.023 20 0 FGADHM Cc1cccc2c(CCC(=O)N(C)c3cccc(-c4nnn[n-]4)c3)c[nH]c21 ZINC000737410263 599074063 /nfs/dbraw/zinc/07/40/63/599074063.db2.gz QSOLSCXVPDYDQC-UHFFFAOYSA-N -1 3 360.421 3.252 20 0 FGADHM Cc1cccc2c(CCC(=O)N(C)c3cccc(-c4nn[n-]n4)c3)c[nH]c21 ZINC000737410263 599074066 /nfs/dbraw/zinc/07/40/66/599074066.db2.gz QSOLSCXVPDYDQC-UHFFFAOYSA-N -1 3 360.421 3.252 20 0 FGADHM C[C@@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)c1ccc(F)cc1F ZINC000820281336 599097240 /nfs/dbraw/zinc/09/72/40/599097240.db2.gz VQPGEUNGAMXTFP-QMMMGPOBSA-N -1 3 350.760 3.409 20 0 FGADHM C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)c1ccc(F)cc1F ZINC000820281336 599097243 /nfs/dbraw/zinc/09/72/43/599097243.db2.gz VQPGEUNGAMXTFP-QMMMGPOBSA-N -1 3 350.760 3.409 20 0 FGADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1CCS[C@@H](C(C)C)C1 ZINC000822337402 599098679 /nfs/dbraw/zinc/09/86/79/599098679.db2.gz XWDGYHBRQYXLNV-OAHLLOKOSA-N -1 3 354.483 3.301 20 0 FGADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N1CCS[C@@H](C(C)C)C1 ZINC000822337402 599098682 /nfs/dbraw/zinc/09/86/82/599098682.db2.gz XWDGYHBRQYXLNV-OAHLLOKOSA-N -1 3 354.483 3.301 20 0 FGADHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2N1CCS[C@H](C(C)C)C1 ZINC000822204338 599098830 /nfs/dbraw/zinc/09/88/30/599098830.db2.gz MGADDCRMGAZFGE-HNNXBMFYSA-N -1 3 372.473 3.440 20 0 FGADHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2N1CCS[C@H](C(C)C)C1 ZINC000822204338 599098833 /nfs/dbraw/zinc/09/88/33/599098833.db2.gz MGADDCRMGAZFGE-HNNXBMFYSA-N -1 3 372.473 3.440 20 0 FGADHM C[C@@H](CCC1CCCCC1)NC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000735985459 599103458 /nfs/dbraw/zinc/10/34/58/599103458.db2.gz LGZNSPHWLXNVLL-AWEZNQCLSA-N -1 3 356.474 3.415 20 0 FGADHM C[C@@H](CCC1CCCCC1)NC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000735985459 599103461 /nfs/dbraw/zinc/10/34/61/599103461.db2.gz LGZNSPHWLXNVLL-AWEZNQCLSA-N -1 3 356.474 3.415 20 0 FGADHM Cc1ccc([C@H]2OCCC[C@H]2CNc2ncccc2-c2nnn[n-]2)cc1 ZINC000822233427 599108838 /nfs/dbraw/zinc/10/88/38/599108838.db2.gz ORMVLKKOAKMLEQ-DOTOQJQBSA-N -1 3 350.426 3.150 20 0 FGADHM Cc1ccc([C@H]2OCCC[C@H]2CNc2ncccc2-c2nn[n-]n2)cc1 ZINC000822233427 599108841 /nfs/dbraw/zinc/10/88/41/599108841.db2.gz ORMVLKKOAKMLEQ-DOTOQJQBSA-N -1 3 350.426 3.150 20 0 FGADHM C[C@H](Sc1ccccc1-c1nnn[n-]1)C(=O)Nc1ccc(F)c(F)c1 ZINC000736192924 599108914 /nfs/dbraw/zinc/10/89/14/599108914.db2.gz NNJXLNLVQBZUKO-VIFPVBQESA-N -1 3 361.377 3.264 20 0 FGADHM C[C@H](Sc1ccccc1-c1nn[n-]n1)C(=O)Nc1ccc(F)c(F)c1 ZINC000736192924 599108917 /nfs/dbraw/zinc/10/89/17/599108917.db2.gz NNJXLNLVQBZUKO-VIFPVBQESA-N -1 3 361.377 3.264 20 0 FGADHM Cc1nc(-c2ccccc2)oc1C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737462923 599117736 /nfs/dbraw/zinc/11/77/36/599117736.db2.gz ASOJOURBROUYHT-GFCCVEGCSA-N -1 3 374.404 3.321 20 0 FGADHM Cc1nc(-c2ccccc2)oc1C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737462923 599117738 /nfs/dbraw/zinc/11/77/38/599117738.db2.gz ASOJOURBROUYHT-GFCCVEGCSA-N -1 3 374.404 3.321 20 0 FGADHM Cc1cccc2nc(CNc3cc(-c4nnn[n-]4)ccc3OC(C)C)cn21 ZINC000737419425 599124788 /nfs/dbraw/zinc/12/47/88/599124788.db2.gz WFBXGSFJXXNUPA-UHFFFAOYSA-N -1 3 363.425 3.222 20 0 FGADHM Cc1cccc2nc(CNc3cc(-c4nn[n-]n4)ccc3OC(C)C)cn21 ZINC000737419425 599124790 /nfs/dbraw/zinc/12/47/90/599124790.db2.gz WFBXGSFJXXNUPA-UHFFFAOYSA-N -1 3 363.425 3.222 20 0 FGADHM C[C@H](CCc1ccccc1F)C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820253980 599136263 /nfs/dbraw/zinc/13/62/63/599136263.db2.gz LHDXMUFNZVFJML-ZIAGYGMSSA-N -1 3 367.428 3.452 20 0 FGADHM C[C@H](CCc1ccccc1F)C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820253980 599136266 /nfs/dbraw/zinc/13/62/66/599136266.db2.gz LHDXMUFNZVFJML-ZIAGYGMSSA-N -1 3 367.428 3.452 20 0 FGADHM C[C@H](CCc1cccc(F)c1)C(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820254657 599139268 /nfs/dbraw/zinc/13/92/68/599139268.db2.gz UANYHNUOLSESHS-CQSZACIVSA-N -1 3 367.428 3.233 20 0 FGADHM C[C@H](CCc1cccc(F)c1)C(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820254657 599139270 /nfs/dbraw/zinc/13/92/70/599139270.db2.gz UANYHNUOLSESHS-CQSZACIVSA-N -1 3 367.428 3.233 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Cc1cc(F)ccc1F ZINC000821104483 599139477 /nfs/dbraw/zinc/13/94/77/599139477.db2.gz FUFHNMYPOXTXAP-UHFFFAOYSA-N -1 3 371.391 3.126 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Cc1cc(F)ccc1F ZINC000821104483 599139479 /nfs/dbraw/zinc/13/94/79/599139479.db2.gz FUFHNMYPOXTXAP-UHFFFAOYSA-N -1 3 371.391 3.126 20 0 FGADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@]1(C)CCc2ccccc2C1 ZINC000821608385 599140156 /nfs/dbraw/zinc/14/01/56/599140156.db2.gz DRVUNLRWOCMSBB-OAQYLSRUSA-N -1 3 361.449 3.020 20 0 FGADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@]1(C)CCc2ccccc2C1 ZINC000821608385 599140158 /nfs/dbraw/zinc/14/01/58/599140158.db2.gz DRVUNLRWOCMSBB-OAQYLSRUSA-N -1 3 361.449 3.020 20 0 FGADHM O=C(CC1CCC1)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000822940705 599142854 /nfs/dbraw/zinc/14/28/54/599142854.db2.gz AZYCVWOWOSVQET-UHFFFAOYSA-N -1 3 350.382 3.183 20 0 FGADHM O=C(CC1CCC1)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000822940705 599142855 /nfs/dbraw/zinc/14/28/55/599142855.db2.gz AZYCVWOWOSVQET-UHFFFAOYSA-N -1 3 350.382 3.183 20 0 FGADHM O=C(CC1CCC1)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000822941525 599142893 /nfs/dbraw/zinc/14/28/93/599142893.db2.gz YLXIGYJWOBNJPR-UHFFFAOYSA-N -1 3 354.439 3.043 20 0 FGADHM O=C(CC1CCC1)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000822941525 599142895 /nfs/dbraw/zinc/14/28/95/599142895.db2.gz YLXIGYJWOBNJPR-UHFFFAOYSA-N -1 3 354.439 3.043 20 0 FGADHM C[C@@]1(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CCc2ccccc2C1 ZINC000820577642 599151034 /nfs/dbraw/zinc/15/10/34/599151034.db2.gz SMXNSXAYSPVNLW-LJQANCHMSA-N -1 3 351.385 3.140 20 0 FGADHM C[C@@]1(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)CCc2ccccc2C1 ZINC000820577642 599151037 /nfs/dbraw/zinc/15/10/37/599151037.db2.gz SMXNSXAYSPVNLW-LJQANCHMSA-N -1 3 351.385 3.140 20 0 FGADHM C[C@H](C(=O)OCCOc1c(-c2nnn[n-]2)cnc2ccccc21)C(C)(C)C ZINC000735571337 599153032 /nfs/dbraw/zinc/15/30/32/599153032.db2.gz BSSPLBMGFOAOJT-GFCCVEGCSA-N -1 3 369.425 3.019 20 0 FGADHM C[C@H](C(=O)OCCOc1c(-c2nn[n-]n2)cnc2ccccc21)C(C)(C)C ZINC000735571337 599153033 /nfs/dbraw/zinc/15/30/33/599153033.db2.gz BSSPLBMGFOAOJT-GFCCVEGCSA-N -1 3 369.425 3.019 20 0 FGADHM c1ccc(-c2ccc(-c3nnn[n-]3)c(SC[C@@H]3CCCOC3)n2)cc1 ZINC000823766898 607259293 /nfs/dbraw/zinc/25/92/93/607259293.db2.gz LJAZATXRNFDZJA-CYBMUJFWSA-N -1 3 353.451 3.447 20 0 FGADHM c1ccc(-c2ccc(-c3nn[n-]n3)c(SC[C@@H]3CCCOC3)n2)cc1 ZINC000823766898 607259294 /nfs/dbraw/zinc/25/92/94/607259294.db2.gz LJAZATXRNFDZJA-CYBMUJFWSA-N -1 3 353.451 3.447 20 0 FGADHM C[C@H](CC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1)c1cccc(F)c1 ZINC000735977797 599159463 /nfs/dbraw/zinc/15/94/63/599159463.db2.gz XWOLYTOKMVHHOE-CYBMUJFWSA-N -1 3 353.401 3.158 20 0 FGADHM C[C@H](CC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1)c1cccc(F)c1 ZINC000735977797 599159466 /nfs/dbraw/zinc/15/94/66/599159466.db2.gz XWOLYTOKMVHHOE-CYBMUJFWSA-N -1 3 353.401 3.158 20 0 FGADHM Fc1cc(Cl)ccc1OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000737645457 599160447 /nfs/dbraw/zinc/16/04/47/599160447.db2.gz YZWGMKNBJACKEW-UHFFFAOYSA-N -1 3 372.747 3.288 20 0 FGADHM Fc1cc(Cl)ccc1OCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000737645457 599160450 /nfs/dbraw/zinc/16/04/50/599160450.db2.gz YZWGMKNBJACKEW-UHFFFAOYSA-N -1 3 372.747 3.288 20 0 FGADHM CC[C@H](C)C[C@@H](C)NC(=O)[C@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC000820870778 599160517 /nfs/dbraw/zinc/16/05/17/599160517.db2.gz ZHQPGSGJASFUKH-JJRVBVJISA-N -1 3 359.474 3.211 20 0 FGADHM CC[C@H](C)C[C@@H](C)NC(=O)[C@H](Oc1ccccc1-c1nn[n-]n1)C(C)C ZINC000820870778 599160519 /nfs/dbraw/zinc/16/05/19/599160519.db2.gz ZHQPGSGJASFUKH-JJRVBVJISA-N -1 3 359.474 3.211 20 0 FGADHM Cc1nc(S[C@@H](C)C(=O)Nc2ccccc2-c2nnn[n-]2)sc1C ZINC000737484004 599173432 /nfs/dbraw/zinc/17/34/32/599173432.db2.gz RGTSZUYDAUENKA-JTQLQIEISA-N -1 3 360.468 3.059 20 0 FGADHM Cc1nc(S[C@@H](C)C(=O)Nc2ccccc2-c2nn[n-]n2)sc1C ZINC000737484004 599173434 /nfs/dbraw/zinc/17/34/34/599173434.db2.gz RGTSZUYDAUENKA-JTQLQIEISA-N -1 3 360.468 3.059 20 0 FGADHM Cc1cc2[nH]c(C(=O)NCc3cc(-c4nnn[n-]4)ccc3F)cc2c(C)c1 ZINC000822195118 599178896 /nfs/dbraw/zinc/17/88/96/599178896.db2.gz HVPVZFPECFAYAZ-UHFFFAOYSA-N -1 3 364.384 3.034 20 0 FGADHM Cc1cc2[nH]c(C(=O)NCc3cc(-c4nn[n-]n4)ccc3F)cc2c(C)c1 ZINC000822195118 599178898 /nfs/dbraw/zinc/17/88/98/599178898.db2.gz HVPVZFPECFAYAZ-UHFFFAOYSA-N -1 3 364.384 3.034 20 0 FGADHM O=C(C[C@@H]1CCCc2ccccc21)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822945339 599184314 /nfs/dbraw/zinc/18/43/14/599184314.db2.gz BKYSPMBTHBEMLJ-AWEZNQCLSA-N -1 3 365.412 3.132 20 0 FGADHM O=C(C[C@@H]1CCCc2ccccc21)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822945339 599184315 /nfs/dbraw/zinc/18/43/15/599184315.db2.gz BKYSPMBTHBEMLJ-AWEZNQCLSA-N -1 3 365.412 3.132 20 0 FGADHM C[C@H]1C[C@H]1NC(=O)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000736234874 599198876 /nfs/dbraw/zinc/19/88/76/599198876.db2.gz CLZSXLSKYRWPQC-IINYFYTJSA-N -1 3 369.812 3.451 20 0 FGADHM O=C(c1ccc(-c2nnn[n-]2)cc1)N1CC[C@H](CSc2ccccc2)C1 ZINC000823478394 599200031 /nfs/dbraw/zinc/20/00/31/599200031.db2.gz KFFULFYXMZSAGH-AWEZNQCLSA-N -1 3 365.462 3.121 20 0 FGADHM O=C(c1ccc(-c2nn[n-]n2)cc1)N1CC[C@H](CSc2ccccc2)C1 ZINC000823478394 599200033 /nfs/dbraw/zinc/20/00/33/599200033.db2.gz KFFULFYXMZSAGH-AWEZNQCLSA-N -1 3 365.462 3.121 20 0 FGADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)N1CCCC2(C1)CCCCCC2 ZINC000823073962 599202571 /nfs/dbraw/zinc/20/25/71/599202571.db2.gz GNOKESPKFUFBJP-UHFFFAOYSA-N -1 3 353.470 3.372 20 0 FGADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)N1CCCC2(C1)CCCCCC2 ZINC000823073962 599202573 /nfs/dbraw/zinc/20/25/73/599202573.db2.gz GNOKESPKFUFBJP-UHFFFAOYSA-N -1 3 353.470 3.372 20 0 FGADHM O=C(Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1)c1ccon1 ZINC000823355398 599219069 /nfs/dbraw/zinc/21/90/69/599219069.db2.gz BZVGRFRUFWGPCP-UHFFFAOYSA-N -1 3 366.312 3.038 20 0 FGADHM O=C(Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1)c1ccon1 ZINC000823355398 599219071 /nfs/dbraw/zinc/21/90/71/599219071.db2.gz BZVGRFRUFWGPCP-UHFFFAOYSA-N -1 3 366.312 3.038 20 0 FGADHM C[C@@H]1CN(C(=O)Cc2ccc(-c3nnn[n-]3)cc2)CC[C@H]1c1ccccc1 ZINC000736281169 599222846 /nfs/dbraw/zinc/22/28/46/599222846.db2.gz SFCLSHYRCGXBCG-DNVCBOLYSA-N -1 3 361.449 3.061 20 0 FGADHM C[C@@H]1CN(C(=O)Cc2ccc(-c3nn[n-]n3)cc2)CC[C@H]1c1ccccc1 ZINC000736281169 599222850 /nfs/dbraw/zinc/22/28/50/599222850.db2.gz SFCLSHYRCGXBCG-DNVCBOLYSA-N -1 3 361.449 3.061 20 0 FGADHM c1ccc(-c2nnn[n-]2)c(OCCSCCc2ccc3c(c2)CCO3)c1 ZINC000823772795 599225128 /nfs/dbraw/zinc/22/51/28/599225128.db2.gz OFSYXIBOFXVOBR-UHFFFAOYSA-N -1 3 368.462 3.156 20 0 FGADHM c1ccc(-c2nn[n-]n2)c(OCCSCCc2ccc3c(c2)CCO3)c1 ZINC000823772795 599225130 /nfs/dbraw/zinc/22/51/30/599225130.db2.gz OFSYXIBOFXVOBR-UHFFFAOYSA-N -1 3 368.462 3.156 20 0 FGADHM CS[C@H]1CCC[C@@H](Nc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)C1 ZINC000737179467 599233543 /nfs/dbraw/zinc/23/35/43/599233543.db2.gz KTDLEYKGQZUOHC-BDAKNGLRSA-N -1 3 358.393 3.367 20 0 FGADHM CS[C@H]1CCC[C@@H](Nc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)C1 ZINC000737179467 599233544 /nfs/dbraw/zinc/23/35/44/599233544.db2.gz KTDLEYKGQZUOHC-BDAKNGLRSA-N -1 3 358.393 3.367 20 0 FGADHM COC(=O)c1cccc(-c2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)c1 ZINC000821670069 599235969 /nfs/dbraw/zinc/23/59/69/599235969.db2.gz LWIWMMSWTFKZEP-UHFFFAOYSA-N -1 3 363.402 3.444 20 0 FGADHM COC(=O)c1cccc(-c2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)c1 ZINC000821670069 599235970 /nfs/dbraw/zinc/23/59/70/599235970.db2.gz LWIWMMSWTFKZEP-UHFFFAOYSA-N -1 3 363.402 3.444 20 0 FGADHM CC(C)[C@@H]1CCCCN1C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000735747655 599238821 /nfs/dbraw/zinc/23/88/21/599238821.db2.gz FIBSWGLNZYWHRZ-AWEZNQCLSA-N -1 3 359.478 3.466 20 0 FGADHM CC(C)[C@@H]1CCCCN1C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000735747655 599238823 /nfs/dbraw/zinc/23/88/23/599238823.db2.gz FIBSWGLNZYWHRZ-AWEZNQCLSA-N -1 3 359.478 3.466 20 0 FGADHM CC(C)(CNC(=O)Nc1cccc(-c2nnn[n-]2)c1)Cc1ccccc1 ZINC000735670524 599239036 /nfs/dbraw/zinc/23/90/36/599239036.db2.gz SHWMJCKPDNEQJM-UHFFFAOYSA-N -1 3 350.426 3.257 20 0 FGADHM CC(C)(CNC(=O)Nc1cccc(-c2nn[n-]n2)c1)Cc1ccccc1 ZINC000735670524 599239038 /nfs/dbraw/zinc/23/90/38/599239038.db2.gz SHWMJCKPDNEQJM-UHFFFAOYSA-N -1 3 350.426 3.257 20 0 FGADHM CC(C)[C@H]1CCCCN1C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000735747656 599239271 /nfs/dbraw/zinc/23/92/71/599239271.db2.gz FIBSWGLNZYWHRZ-CQSZACIVSA-N -1 3 359.478 3.466 20 0 FGADHM CC(C)[C@H]1CCCCN1C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000735747656 599239274 /nfs/dbraw/zinc/23/92/74/599239274.db2.gz FIBSWGLNZYWHRZ-CQSZACIVSA-N -1 3 359.478 3.466 20 0 FGADHM Cc1c(NC(=O)CCOc2ccc(Cl)cc2)cccc1-c1nnn[n-]1 ZINC000822069394 607270423 /nfs/dbraw/zinc/27/04/23/607270423.db2.gz ZGIQNLYGWQDBPG-UHFFFAOYSA-N -1 3 357.801 3.236 20 0 FGADHM Cc1c(NC(=O)CCOc2ccc(Cl)cc2)cccc1-c1nn[n-]n1 ZINC000822069394 607270424 /nfs/dbraw/zinc/27/04/24/607270424.db2.gz ZGIQNLYGWQDBPG-UHFFFAOYSA-N -1 3 357.801 3.236 20 0 FGADHM CS[C@H]1CCC[C@@H](NC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000737171406 599242667 /nfs/dbraw/zinc/24/26/67/599242667.db2.gz OSICBQIBQRBFAR-KOLCDFICSA-N -1 3 366.878 3.316 20 0 FGADHM CS[C@H]1CCC[C@@H](NC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000737171406 599242670 /nfs/dbraw/zinc/24/26/70/599242670.db2.gz OSICBQIBQRBFAR-KOLCDFICSA-N -1 3 366.878 3.316 20 0 FGADHM O=C([O-])Cc1cccc(NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000312140025 597202142 /nfs/dbraw/zinc/20/21/42/597202142.db2.gz NYNDCWJBBKGRAB-IBGZPJMESA-N -1 3 367.449 3.100 20 0 FGADHM C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)c2sccc2-c2nnn[n-]2)C1 ZINC000736235920 599248935 /nfs/dbraw/zinc/24/89/35/599248935.db2.gz PWNVNZWQQYECDY-QMTHXVAHSA-N -1 3 357.414 3.291 20 0 FGADHM C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)c2sccc2-c2nn[n-]n2)C1 ZINC000736235920 599248937 /nfs/dbraw/zinc/24/89/37/599248937.db2.gz PWNVNZWQQYECDY-QMTHXVAHSA-N -1 3 357.414 3.291 20 0 FGADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C=Cc1ccnc2ccccc12 ZINC000736814684 599248972 /nfs/dbraw/zinc/24/89/72/599248972.db2.gz RYVMXGVDARJYQS-ZHACJKMWSA-N -1 3 370.416 3.087 20 0 FGADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C=Cc1ccnc2ccccc12 ZINC000736814684 599248974 /nfs/dbraw/zinc/24/89/74/599248974.db2.gz RYVMXGVDARJYQS-ZHACJKMWSA-N -1 3 370.416 3.087 20 0 FGADHM CCC1(CC)[C@H](OC)C[C@H]1N(C)C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000820957406 607279544 /nfs/dbraw/zinc/27/95/44/607279544.db2.gz OTIWSKYURCHPLX-HZPDHXFCSA-N -1 3 372.473 3.233 20 0 FGADHM CCC1(CC)[C@H](OC)C[C@H]1N(C)C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000820957406 607279545 /nfs/dbraw/zinc/27/95/45/607279545.db2.gz OTIWSKYURCHPLX-HZPDHXFCSA-N -1 3 372.473 3.233 20 0 FGADHM CSc1ccc(NC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000821985102 599252947 /nfs/dbraw/zinc/25/29/47/599252947.db2.gz ZEWQRKNYNPLSIZ-UHFFFAOYSA-N -1 3 358.402 3.049 20 0 FGADHM CSc1ccc(NC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000821985102 599252948 /nfs/dbraw/zinc/25/29/48/599252948.db2.gz ZEWQRKNYNPLSIZ-UHFFFAOYSA-N -1 3 358.402 3.049 20 0 FGADHM O=C(/C=C/c1ccccc1-c1nn[n-]n1)Nc1nc2ccsc2s1 ZINC000737798941 599262062 /nfs/dbraw/zinc/26/20/62/599262062.db2.gz HSJQQDOOHLNXKS-AATRIKPKSA-N -1 3 354.420 3.190 20 0 FGADHM Cc1c(NC(=O)N2CC[C@@H](c3ccc(F)cc3)C2)cccc1-c1nnn[n-]1 ZINC000822084914 607289967 /nfs/dbraw/zinc/28/99/67/607289967.db2.gz SEWWAGQBRPBLPY-CQSZACIVSA-N -1 3 366.400 3.336 20 0 FGADHM Cc1c(NC(=O)N2CC[C@@H](c3ccc(F)cc3)C2)cccc1-c1nn[n-]n1 ZINC000822084914 607289968 /nfs/dbraw/zinc/28/99/68/607289968.db2.gz SEWWAGQBRPBLPY-CQSZACIVSA-N -1 3 366.400 3.336 20 0 FGADHM CCOc1ccccc1[C@@H](C)NC(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821431102 607290306 /nfs/dbraw/zinc/29/03/06/607290306.db2.gz MIRLLFRCDBPGSB-CYBMUJFWSA-N -1 3 366.425 3.457 20 0 FGADHM CCOc1ccccc1[C@@H](C)NC(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821431102 607290307 /nfs/dbraw/zinc/29/03/07/607290307.db2.gz MIRLLFRCDBPGSB-CYBMUJFWSA-N -1 3 366.425 3.457 20 0 FGADHM Cc1c(NC(=O)NC[C@@H]2CCCO[C@@H]2C(C)(C)C)cccc1-c1nnn[n-]1 ZINC000822097252 607290467 /nfs/dbraw/zinc/29/04/67/607290467.db2.gz WEYDMFJSYHRQCE-BBRMVZONSA-N -1 3 372.473 3.138 20 0 FGADHM Cc1c(NC(=O)NC[C@@H]2CCCO[C@@H]2C(C)(C)C)cccc1-c1nn[n-]n1 ZINC000822097252 607290468 /nfs/dbraw/zinc/29/04/68/607290468.db2.gz WEYDMFJSYHRQCE-BBRMVZONSA-N -1 3 372.473 3.138 20 0 FGADHM CCN(C(=O)Nc1cccc(-c2nnn[n-]2)c1C)[C@@H](C)c1cccnc1 ZINC000821154637 607292013 /nfs/dbraw/zinc/29/20/13/607292013.db2.gz QLEHUWMPIHRBAE-ZDUSSCGKSA-N -1 3 351.414 3.185 20 0 FGADHM CCN(C(=O)Nc1cccc(-c2nn[n-]n2)c1C)[C@@H](C)c1cccnc1 ZINC000821154637 607292014 /nfs/dbraw/zinc/29/20/14/607292014.db2.gz QLEHUWMPIHRBAE-ZDUSSCGKSA-N -1 3 351.414 3.185 20 0 FGADHM Cc1cc(Cl)cc2c1N(C(=O)Cc1ccc(-c3nnn[n-]3)cc1)CCC2 ZINC000737264450 599259413 /nfs/dbraw/zinc/25/94/13/599259413.db2.gz QBFAZLWIHZABEC-UHFFFAOYSA-N -1 3 367.840 3.350 20 0 FGADHM Cc1cc(Cl)cc2c1N(C(=O)Cc1ccc(-c3nn[n-]n3)cc1)CCC2 ZINC000737264450 599259415 /nfs/dbraw/zinc/25/94/15/599259415.db2.gz QBFAZLWIHZABEC-UHFFFAOYSA-N -1 3 367.840 3.350 20 0 FGADHM Cc1nc2ccccc2n1CCNc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000737489249 599260136 /nfs/dbraw/zinc/26/01/36/599260136.db2.gz GGHZJQIVBFBQCR-UHFFFAOYSA-N -1 3 370.420 3.185 20 0 FGADHM c1ccc2c(c1)nc(-c1nnn[n-]1)cc2NCc1ccnc(N2CCCC2)c1 ZINC000738436374 599266243 /nfs/dbraw/zinc/26/62/43/599266243.db2.gz GXCUVIWKEFCFFF-UHFFFAOYSA-N -1 3 372.436 3.022 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H]1C[C@H]1C1CCCCC1 ZINC000821406890 599267481 /nfs/dbraw/zinc/26/74/81/599267481.db2.gz LMQAAJDOAKPAHQ-GJZGRUSLSA-N -1 3 370.457 3.356 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H]1C[C@H]1C1CCCCC1 ZINC000821406890 599267482 /nfs/dbraw/zinc/26/74/82/599267482.db2.gz LMQAAJDOAKPAHQ-GJZGRUSLSA-N -1 3 370.457 3.356 20 0 FGADHM COc1ccc(Cl)c(NC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000821825298 599268204 /nfs/dbraw/zinc/26/82/04/599268204.db2.gz VWAJHQNRLGNGEZ-SNVBAGLBSA-N -1 3 372.816 3.411 20 0 FGADHM COc1ccc(Cl)c(NC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000821825298 599268206 /nfs/dbraw/zinc/26/82/06/599268206.db2.gz VWAJHQNRLGNGEZ-SNVBAGLBSA-N -1 3 372.816 3.411 20 0 FGADHM Cc1cc(C)cc(C[C@@H](C)NC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000822196641 599279290 /nfs/dbraw/zinc/27/92/90/599279290.db2.gz QZSCXXRVJHCMMX-CYBMUJFWSA-N -1 3 368.416 3.375 20 0 FGADHM Cc1cc(C)cc(C[C@@H](C)NC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000822196641 599279292 /nfs/dbraw/zinc/27/92/92/599279292.db2.gz QZSCXXRVJHCMMX-CYBMUJFWSA-N -1 3 368.416 3.375 20 0 FGADHM C[C@H](NC(=O)Nc1cc(F)c(F)c(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820373471 599282772 /nfs/dbraw/zinc/28/27/72/599282772.db2.gz IDZNFCBROLRHQT-QMMMGPOBSA-N -1 3 362.315 3.167 20 0 FGADHM C[C@H](NC(=O)Nc1cc(F)c(F)c(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820373471 599282775 /nfs/dbraw/zinc/28/27/75/599282775.db2.gz IDZNFCBROLRHQT-QMMMGPOBSA-N -1 3 362.315 3.167 20 0 FGADHM Cc1cc(-c2nn[n-]n2)cc(C)c1OCC(=O)Nc1ccccc1Cl ZINC000737221107 599283193 /nfs/dbraw/zinc/28/31/93/599283193.db2.gz FTTJUDLPQNIHCZ-UHFFFAOYSA-N -1 3 357.801 3.154 20 0 FGADHM Cc1cc(-c2nn[n-]n2)cc(C)c1OCC(=O)N(c1ccccc1)C(C)C ZINC000737222450 599283937 /nfs/dbraw/zinc/28/39/37/599283937.db2.gz ZQWWPUIHIQBCPJ-UHFFFAOYSA-N -1 3 365.437 3.304 20 0 FGADHM C[C@H](Sc1nnc2[nH]c3ccccc3n21)c1ccc(-c2nnn[n-]2)cc1 ZINC000736191964 599284957 /nfs/dbraw/zinc/28/49/57/599284957.db2.gz KGSIXFWBFOPWLY-JTQLQIEISA-N -1 3 362.422 3.244 20 0 FGADHM C[C@H](Sc1nnc2[nH]c3ccccc3n21)c1ccc(-c2nn[n-]n2)cc1 ZINC000736191964 599284959 /nfs/dbraw/zinc/28/49/59/599284959.db2.gz KGSIXFWBFOPWLY-JTQLQIEISA-N -1 3 362.422 3.244 20 0 FGADHM CC(C)CCCNC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820072263 599285363 /nfs/dbraw/zinc/28/53/63/599285363.db2.gz DCEGLGDXKIHYHK-UHFFFAOYSA-N -1 3 356.352 3.443 20 0 FGADHM CC(C)CCCNC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820072263 599285364 /nfs/dbraw/zinc/28/53/64/599285364.db2.gz DCEGLGDXKIHYHK-UHFFFAOYSA-N -1 3 356.352 3.443 20 0 FGADHM CC(C)(C)CCNC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000819913737 599285928 /nfs/dbraw/zinc/28/59/28/599285928.db2.gz DMJJBLHFKOMUNZ-UHFFFAOYSA-N -1 3 356.352 3.443 20 0 FGADHM CC(C)(C)CCNC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000819913737 599285930 /nfs/dbraw/zinc/28/59/30/599285930.db2.gz DMJJBLHFKOMUNZ-UHFFFAOYSA-N -1 3 356.352 3.443 20 0 FGADHM C[C@H]1CCCN(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C1 ZINC000820709000 599286360 /nfs/dbraw/zinc/28/63/60/599286360.db2.gz BOKBRMAJVVPBHK-VIFPVBQESA-N -1 3 354.336 3.149 20 0 FGADHM C[C@H]1CCCN(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C1 ZINC000820709000 599286362 /nfs/dbraw/zinc/28/63/62/599286362.db2.gz BOKBRMAJVVPBHK-VIFPVBQESA-N -1 3 354.336 3.149 20 0 FGADHM CCCCOCC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736460512 599291430 /nfs/dbraw/zinc/29/14/30/599291430.db2.gz MGJBBENGETYHPA-UHFFFAOYSA-N -1 3 367.409 3.414 20 0 FGADHM CCCCOCC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736460512 599291432 /nfs/dbraw/zinc/29/14/32/599291432.db2.gz MGJBBENGETYHPA-UHFFFAOYSA-N -1 3 367.409 3.414 20 0 FGADHM OCCCN(Cc1cccc(Cl)c1)c1cccc(F)c1-c1nnn[n-]1 ZINC000823721641 607332327 /nfs/dbraw/zinc/33/23/27/607332327.db2.gz FRTXAFSEQRVZHM-UHFFFAOYSA-N -1 3 361.808 3.048 20 0 FGADHM OCCCN(Cc1cccc(Cl)c1)c1cccc(F)c1-c1nn[n-]n1 ZINC000823721641 607332328 /nfs/dbraw/zinc/33/23/28/607332328.db2.gz FRTXAFSEQRVZHM-UHFFFAOYSA-N -1 3 361.808 3.048 20 0 FGADHM O=C(Nc1ccc(OCc2ccncc2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738171132 598232759 /nfs/dbraw/zinc/23/27/59/598232759.db2.gz BXTNLJFEVKBQOJ-UHFFFAOYSA-N -1 3 372.388 3.093 20 0 FGADHM O=C(Nc1ccc(OCc2ccncc2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738171132 598232760 /nfs/dbraw/zinc/23/27/60/598232760.db2.gz BXTNLJFEVKBQOJ-UHFFFAOYSA-N -1 3 372.388 3.093 20 0 FGADHM Fc1ccc2[nH]c3c(c2c1)CN(c1ccc(-c2nn[n-]n2)cc1F)CC3 ZINC000737656132 598237477 /nfs/dbraw/zinc/23/74/77/598237477.db2.gz JPQNLQXWODMUPF-UHFFFAOYSA-N -1 3 352.348 3.189 20 0 FGADHM Fc1cccc(N[C@H](c2ccc3c(c2)OCCO3)C2CC2)c1-c1nnn[n-]1 ZINC000737662630 598241079 /nfs/dbraw/zinc/24/10/79/598241079.db2.gz XGKOPBLJSYKZBC-SFHVURJKSA-N -1 3 367.384 3.340 20 0 FGADHM Fc1cccc(N[C@H](c2ccc3c(c2)OCCO3)C2CC2)c1-c1nn[n-]n1 ZINC000737662630 598241080 /nfs/dbraw/zinc/24/10/80/598241080.db2.gz XGKOPBLJSYKZBC-SFHVURJKSA-N -1 3 367.384 3.340 20 0 FGADHM CC(C)CN(CC[S@@](=O)c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000735827176 598245094 /nfs/dbraw/zinc/24/50/94/598245094.db2.gz HYZSVTWSYYCODM-AREMUKBSSA-N -1 3 369.494 3.137 20 0 FGADHM COc1ccccc1CC(C)(C)NC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000737153961 598255553 /nfs/dbraw/zinc/25/55/53/598255553.db2.gz WTEWIVCCCYHUFB-UHFFFAOYSA-N -1 3 366.425 3.018 20 0 FGADHM COc1ccccc1CC(C)(C)NC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000737153961 598255554 /nfs/dbraw/zinc/25/55/54/598255554.db2.gz WTEWIVCCCYHUFB-UHFFFAOYSA-N -1 3 366.425 3.018 20 0 FGADHM COc1c(C)cc(CN(C)Cc2ccc(-c3nn[n-]n3)cc2F)cc1C ZINC000737023037 598257787 /nfs/dbraw/zinc/25/77/87/598257787.db2.gz HCNVIVHCVLMODG-UHFFFAOYSA-N -1 3 355.417 3.263 20 0 FGADHM Cc1noc(C)c1CN(C)c1ccc(C(F)(F)F)c(-c2nnn[n-]2)c1 ZINC000822523835 607346616 /nfs/dbraw/zinc/34/66/16/607346616.db2.gz VVPYBTIBMGWRDJ-UHFFFAOYSA-N -1 3 352.320 3.127 20 0 FGADHM Cc1noc(C)c1CN(C)c1ccc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC000822523835 607346617 /nfs/dbraw/zinc/34/66/17/607346617.db2.gz VVPYBTIBMGWRDJ-UHFFFAOYSA-N -1 3 352.320 3.127 20 0 FGADHM CN(C(=O)CCc1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000736731491 598309210 /nfs/dbraw/zinc/30/92/10/598309210.db2.gz FDWUJCFUDFYRCL-UHFFFAOYSA-N -1 3 359.792 3.255 20 0 FGADHM CN(C(=O)CCc1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736731491 598309212 /nfs/dbraw/zinc/30/92/12/598309212.db2.gz FDWUJCFUDFYRCL-UHFFFAOYSA-N -1 3 359.792 3.255 20 0 FGADHM CCCC[C@@H](CC)CSCC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000736436710 598314359 /nfs/dbraw/zinc/31/43/59/598314359.db2.gz FNLRWWJKNYYNGK-CQSZACIVSA-N -1 3 361.515 3.433 20 0 FGADHM CCCC[C@@H](CC)CSCC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000736436710 598314361 /nfs/dbraw/zinc/31/43/61/598314361.db2.gz FNLRWWJKNYYNGK-CQSZACIVSA-N -1 3 361.515 3.433 20 0 FGADHM CC(C)CC[C@@H]1CCC[C@H]1NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000735797390 598320317 /nfs/dbraw/zinc/32/03/17/598320317.db2.gz OHFPOIYYCWLWAG-SUMWQHHRSA-N -1 3 374.464 3.410 20 0 FGADHM CC(C)CC[C@@H]1CCC[C@H]1NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000735797390 598320319 /nfs/dbraw/zinc/32/03/19/598320319.db2.gz OHFPOIYYCWLWAG-SUMWQHHRSA-N -1 3 374.464 3.410 20 0 FGADHM S=C(NC[C@@H]1Cc2ccccc21)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000738400951 598323253 /nfs/dbraw/zinc/32/32/53/598323253.db2.gz LJAXFJWUHBPHTH-NSHDSACASA-N -1 3 370.869 3.146 20 0 FGADHM S=C(NC[C@@H]1Cc2ccccc21)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000738400951 598323255 /nfs/dbraw/zinc/32/32/55/598323255.db2.gz LJAXFJWUHBPHTH-NSHDSACASA-N -1 3 370.869 3.146 20 0 FGADHM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000736238338 598325435 /nfs/dbraw/zinc/32/54/35/598325435.db2.gz UWBFGDKCZXVWOW-ISTRZQFTSA-N -1 3 374.464 3.266 20 0 FGADHM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000736238338 598325437 /nfs/dbraw/zinc/32/54/37/598325437.db2.gz UWBFGDKCZXVWOW-ISTRZQFTSA-N -1 3 374.464 3.266 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cccc(F)c1F ZINC000736482360 598327581 /nfs/dbraw/zinc/32/75/81/598327581.db2.gz ZYMKCFFCHMBNQA-UHFFFAOYSA-N -1 3 357.364 3.197 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cccc(F)c1F ZINC000736482360 598327582 /nfs/dbraw/zinc/32/75/82/598327582.db2.gz ZYMKCFFCHMBNQA-UHFFFAOYSA-N -1 3 357.364 3.197 20 0 FGADHM CN(Cc1ccc(Cl)cc1)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000736816389 598329106 /nfs/dbraw/zinc/32/91/06/598329106.db2.gz GEBPOAQMWMBZKP-UHFFFAOYSA-N -1 3 374.807 3.001 20 0 FGADHM CN(Cc1ccc(Cl)cc1)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000736816389 598329107 /nfs/dbraw/zinc/32/91/07/598329107.db2.gz GEBPOAQMWMBZKP-UHFFFAOYSA-N -1 3 374.807 3.001 20 0 FGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)c1nccc2ccccc21 ZINC000735907188 598329649 /nfs/dbraw/zinc/32/96/49/598329649.db2.gz YFJMAUHKIWLDRD-UHFFFAOYSA-N -1 3 374.404 3.454 20 0 FGADHM Cc1ccc(NC(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1OCC(F)F ZINC000737360018 598369678 /nfs/dbraw/zinc/36/96/78/598369678.db2.gz JSSKMIWIVOFGAE-UHFFFAOYSA-N -1 3 374.351 3.463 20 0 FGADHM Cc1ccc(NC(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1OCC(F)F ZINC000737360018 598369680 /nfs/dbraw/zinc/36/96/80/598369680.db2.gz JSSKMIWIVOFGAE-UHFFFAOYSA-N -1 3 374.351 3.463 20 0 FGADHM CO[C@@H](C)c1cccc(NC(=S)Nc2ccccc2-c2nnn[n-]2)c1 ZINC000736963957 598378414 /nfs/dbraw/zinc/37/84/14/598378414.db2.gz VNRRKXUZLYALFS-NSHDSACASA-N -1 3 354.439 3.383 20 0 FGADHM CO[C@@H](C)c1cccc(NC(=S)Nc2ccccc2-c2nn[n-]n2)c1 ZINC000736963957 598378415 /nfs/dbraw/zinc/37/84/15/598378415.db2.gz VNRRKXUZLYALFS-NSHDSACASA-N -1 3 354.439 3.383 20 0 FGADHM CC(C)(C)[C@@H](NC(=O)CNc1ccc(-c2nn[n-]n2)cc1)c1cccs1 ZINC000735590227 598382529 /nfs/dbraw/zinc/38/25/29/598382529.db2.gz WNJVJBVQTNWTDK-INIZCTEOSA-N -1 3 370.482 3.244 20 0 FGADHM COc1ccc([C@@H]2CCCN2c2ncc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000737073854 598386205 /nfs/dbraw/zinc/38/62/05/598386205.db2.gz CMSJAAYHDMKPHD-HNNXBMFYSA-N -1 3 356.817 3.265 20 0 FGADHM COc1ccc([C@@H]2CCCN2c2ncc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000737073854 598386207 /nfs/dbraw/zinc/38/62/07/598386207.db2.gz CMSJAAYHDMKPHD-HNNXBMFYSA-N -1 3 356.817 3.265 20 0 FGADHM Fc1ccc(OCCNc2ccc(Cl)cc2-c2nnn[n-]2)cc1F ZINC000737657573 598387206 /nfs/dbraw/zinc/38/72/06/598387206.db2.gz XLIRNPIGMPYINB-UHFFFAOYSA-N -1 3 351.744 3.289 20 0 FGADHM Fc1ccc(OCCNc2ccc(Cl)cc2-c2nn[n-]n2)cc1F ZINC000737657573 598387208 /nfs/dbraw/zinc/38/72/08/598387208.db2.gz XLIRNPIGMPYINB-UHFFFAOYSA-N -1 3 351.744 3.289 20 0 FGADHM CCC(=O)c1cccc(NC(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000820843126 607355725 /nfs/dbraw/zinc/35/57/25/607355725.db2.gz TYVWPTMHPPTNNG-GFCCVEGCSA-N -1 3 364.409 3.342 20 0 FGADHM CCC(=O)c1cccc(NC(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000820843126 607355727 /nfs/dbraw/zinc/35/57/27/607355727.db2.gz TYVWPTMHPPTNNG-GFCCVEGCSA-N -1 3 364.409 3.342 20 0 FGADHM C[C@@H](NC(=O)N[C@@H]1CCc2ccc(F)cc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000736112547 598390590 /nfs/dbraw/zinc/39/05/90/598390590.db2.gz JCTNDKKCLKWFFU-PIGZYNQJSA-N -1 3 366.400 3.054 20 0 FGADHM C[C@@H](NC(=O)N[C@@H]1CCc2ccc(F)cc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000736112547 598390592 /nfs/dbraw/zinc/39/05/92/598390592.db2.gz JCTNDKKCLKWFFU-PIGZYNQJSA-N -1 3 366.400 3.054 20 0 FGADHM Clc1cc(-c2nnn[n-]2)cnc1NC[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000737557479 598392594 /nfs/dbraw/zinc/39/25/94/598392594.db2.gz FFTJXXWNFCLYMW-XJKSGUPXSA-N -1 3 370.844 3.495 20 0 FGADHM Clc1cc(-c2nn[n-]n2)cnc1NC[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000737557479 598392596 /nfs/dbraw/zinc/39/25/96/598392596.db2.gz FFTJXXWNFCLYMW-XJKSGUPXSA-N -1 3 370.844 3.495 20 0 FGADHM Clc1cc(-c2nnn[n-]2)cnc1NCCCCOCc1ccccc1 ZINC000737558051 598393991 /nfs/dbraw/zinc/39/39/91/598393991.db2.gz JRGLDRHMDMQUPY-UHFFFAOYSA-N -1 3 358.833 3.324 20 0 FGADHM Clc1cc(-c2nn[n-]n2)cnc1NCCCCOCc1ccccc1 ZINC000737558051 598393993 /nfs/dbraw/zinc/39/39/93/598393993.db2.gz JRGLDRHMDMQUPY-UHFFFAOYSA-N -1 3 358.833 3.324 20 0 FGADHM CCOc1ccc(C(C)=O)cc1COc1ccc(-c2nn[n-]n2)cc1C ZINC000736635495 598394274 /nfs/dbraw/zinc/39/42/74/598394274.db2.gz CTMDJMGRUURBJB-UHFFFAOYSA-N -1 3 352.394 3.355 20 0 FGADHM Cc1[nH]c2ccccc2c1CCNc1nc2c(cc1-c1nnn[n-]1)CCC2 ZINC000737199612 598394904 /nfs/dbraw/zinc/39/49/04/598394904.db2.gz NYSBVDXIYNJLMS-UHFFFAOYSA-N -1 3 359.437 3.195 20 0 FGADHM Cc1[nH]c2ccccc2c1CCNc1nc2c(cc1-c1nn[n-]n1)CCC2 ZINC000737199612 598394906 /nfs/dbraw/zinc/39/49/06/598394906.db2.gz NYSBVDXIYNJLMS-UHFFFAOYSA-N -1 3 359.437 3.195 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1OCC(=O)Nc1ccccc1C(C)C ZINC000737221886 598396087 /nfs/dbraw/zinc/39/60/87/598396087.db2.gz QXVWDYYVDHHKOW-UHFFFAOYSA-N -1 3 351.410 3.316 20 0 FGADHM C[C@H]1c2ccccc2CCN1C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736303501 598398497 /nfs/dbraw/zinc/39/84/97/598398497.db2.gz KMVGFPIMYXOCLG-ZDUSSCGKSA-N -1 3 365.462 3.105 20 0 FGADHM C[C@H]1c2ccccc2CCN1C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736303501 598398499 /nfs/dbraw/zinc/39/84/99/598398499.db2.gz KMVGFPIMYXOCLG-ZDUSSCGKSA-N -1 3 365.462 3.105 20 0 FGADHM C[C@@H](Sc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1c(F)cccc1F ZINC000736194253 598413851 /nfs/dbraw/zinc/41/38/51/598413851.db2.gz YPUVKPBWCGRFII-SECBINFHSA-N -1 3 361.377 3.264 20 0 FGADHM C[C@@H](Sc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1c(F)cccc1F ZINC000736194253 598413852 /nfs/dbraw/zinc/41/38/52/598413852.db2.gz YPUVKPBWCGRFII-SECBINFHSA-N -1 3 361.377 3.264 20 0 FGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccnn1C(C)C ZINC000735874525 598425390 /nfs/dbraw/zinc/42/53/90/598425390.db2.gz QIKWGWKBRXHSNM-UHFFFAOYSA-N -1 3 368.445 3.087 20 0 FGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccnn1C(C)C ZINC000735874525 598425392 /nfs/dbraw/zinc/42/53/92/598425392.db2.gz QIKWGWKBRXHSNM-UHFFFAOYSA-N -1 3 368.445 3.087 20 0 FGADHM CCn1c(CSc2ccc(-c3nnn[n-]3)cn2)nc2cc(F)ccc21 ZINC000736714988 598440198 /nfs/dbraw/zinc/44/01/98/598440198.db2.gz YZHMZXVAYOPQTK-UHFFFAOYSA-N -1 3 355.402 3.063 20 0 FGADHM CCn1c(CSc2ccc(-c3nn[n-]n3)cn2)nc2cc(F)ccc21 ZINC000736714988 598440199 /nfs/dbraw/zinc/44/01/99/598440199.db2.gz YZHMZXVAYOPQTK-UHFFFAOYSA-N -1 3 355.402 3.063 20 0 FGADHM Fc1ccc([C@H]2CN(Cc3ccc(-c4nnn[n-]4)cc3)CCO2)cc1Cl ZINC000737652332 598461679 /nfs/dbraw/zinc/46/16/79/598461679.db2.gz WQJHZNNYRLPDKL-QGZVFWFLSA-N -1 3 373.819 3.233 20 0 FGADHM Fc1ccc([C@H]2CN(Cc3ccc(-c4nn[n-]n4)cc3)CCO2)cc1Cl ZINC000737652332 598461681 /nfs/dbraw/zinc/46/16/81/598461681.db2.gz WQJHZNNYRLPDKL-QGZVFWFLSA-N -1 3 373.819 3.233 20 0 FGADHM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)cn1)c1ccc(Cl)c(Cl)c1 ZINC000736157323 598476569 /nfs/dbraw/zinc/47/65/69/598476569.db2.gz KQLIOBBVGYORKK-QMMMGPOBSA-N -1 3 364.192 3.487 20 0 FGADHM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)cn1)c1ccc(Cl)c(Cl)c1 ZINC000736157323 598476571 /nfs/dbraw/zinc/47/65/71/598476571.db2.gz KQLIOBBVGYORKK-QMMMGPOBSA-N -1 3 364.192 3.487 20 0 FGADHM CC(C)Cc1nc(C(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000735851372 598483369 /nfs/dbraw/zinc/48/33/69/598483369.db2.gz RQKRKVPCUNJNNG-LLVKDONJSA-N -1 3 357.439 3.440 20 0 FGADHM CC(C)Cc1nc(C(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000735851372 598483370 /nfs/dbraw/zinc/48/33/70/598483370.db2.gz RQKRKVPCUNJNNG-LLVKDONJSA-N -1 3 357.439 3.440 20 0 FGADHM Cc1c(C(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)cnn1C(C)(C)C ZINC000737209509 598486770 /nfs/dbraw/zinc/48/67/70/598486770.db2.gz RHZZWRZJOFNZEP-GFCCVEGCSA-N -1 3 354.414 3.045 20 0 FGADHM Cc1c(C(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)cnn1C(C)(C)C ZINC000737209509 598486772 /nfs/dbraw/zinc/48/67/72/598486772.db2.gz RHZZWRZJOFNZEP-GFCCVEGCSA-N -1 3 354.414 3.045 20 0 FGADHM C[C@H](OC(=O)CCOc1ccc(F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000736147595 598487110 /nfs/dbraw/zinc/48/71/10/598487110.db2.gz CKNXEBMHJBMMCI-LBPRGKRZSA-N -1 3 356.357 3.079 20 0 FGADHM C[C@H](OC(=O)CCOc1ccc(F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000736147595 598487112 /nfs/dbraw/zinc/48/71/12/598487112.db2.gz CKNXEBMHJBMMCI-LBPRGKRZSA-N -1 3 356.357 3.079 20 0 FGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)c1cncc2ccccc21 ZINC000735660980 598487608 /nfs/dbraw/zinc/48/76/08/598487608.db2.gz GNUAWTYJTGFZKT-UHFFFAOYSA-N -1 3 361.409 3.224 20 0 FGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)c1cncc2ccccc21 ZINC000735660980 598487610 /nfs/dbraw/zinc/48/76/10/598487610.db2.gz GNUAWTYJTGFZKT-UHFFFAOYSA-N -1 3 361.409 3.224 20 0 FGADHM C[C@@H](OC(=O)c1ccc(C(F)(F)F)cn1)c1cccc(-c2nnn[n-]2)c1 ZINC000736158821 598488856 /nfs/dbraw/zinc/48/88/56/598488856.db2.gz SKPRQDCIFGEWMT-SECBINFHSA-N -1 3 363.299 3.199 20 0 FGADHM C[C@@H](OC(=O)c1ccc(C(F)(F)F)cn1)c1cccc(-c2nn[n-]n2)c1 ZINC000736158821 598488858 /nfs/dbraw/zinc/48/88/58/598488858.db2.gz SKPRQDCIFGEWMT-SECBINFHSA-N -1 3 363.299 3.199 20 0 FGADHM CCc1c(C)sc(NC(=O)[C@@H](C)Oc2ccccc2)c1-c1nnn[n-]1 ZINC000736670770 598516970 /nfs/dbraw/zinc/51/69/70/598516970.db2.gz QSRFOMBQVAFHHE-SNVBAGLBSA-N -1 3 357.439 3.205 20 0 FGADHM CCc1c(C)sc(NC(=O)[C@@H](C)Oc2ccccc2)c1-c1nn[n-]n1 ZINC000736670770 598516972 /nfs/dbraw/zinc/51/69/72/598516972.db2.gz QSRFOMBQVAFHHE-SNVBAGLBSA-N -1 3 357.439 3.205 20 0 FGADHM CCc1c(C)sc(NC(=O)Cc2cc(C)ccc2OC)c1-c1nnn[n-]1 ZINC000736676321 598517353 /nfs/dbraw/zinc/51/73/53/598517353.db2.gz RMZZJIDKFJAWKE-UHFFFAOYSA-N -1 3 371.466 3.297 20 0 FGADHM CCc1c(C)sc(NC(=O)Cc2cc(C)ccc2OC)c1-c1nn[n-]n1 ZINC000736676321 598517354 /nfs/dbraw/zinc/51/73/54/598517354.db2.gz RMZZJIDKFJAWKE-UHFFFAOYSA-N -1 3 371.466 3.297 20 0 FGADHM CCc1c(C)sc(NC(=O)Cc2noc3ccccc23)c1-c1nnn[n-]1 ZINC000736675720 598517604 /nfs/dbraw/zinc/51/76/04/598517604.db2.gz KYMMLXAOXZETDI-UHFFFAOYSA-N -1 3 368.422 3.121 20 0 FGADHM CCc1c(C)sc(NC(=O)Cc2noc3ccccc23)c1-c1nn[n-]n1 ZINC000736675720 598517606 /nfs/dbraw/zinc/51/76/06/598517606.db2.gz KYMMLXAOXZETDI-UHFFFAOYSA-N -1 3 368.422 3.121 20 0 FGADHM COc1ccccc1[C@H]1CCCN1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000737146635 598528032 /nfs/dbraw/zinc/52/80/32/598528032.db2.gz INBCHFMPLRXRHZ-MRXNPFEDSA-N -1 3 364.409 3.244 20 0 FGADHM COc1ccccc1[C@H]1CCCN1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000737146635 598528033 /nfs/dbraw/zinc/52/80/33/598528033.db2.gz INBCHFMPLRXRHZ-MRXNPFEDSA-N -1 3 364.409 3.244 20 0 FGADHM COc1cccc(C2(C(=O)Oc3ccc(-c4nnn[n-]4)cc3)CCCC2)c1 ZINC000737129797 598533547 /nfs/dbraw/zinc/53/35/47/598533547.db2.gz SYLXUOYBVVJVLR-UHFFFAOYSA-N -1 3 364.405 3.293 20 0 FGADHM COc1cccc(C2(C(=O)Oc3ccc(-c4nn[n-]n4)cc3)CCCC2)c1 ZINC000737129797 598533549 /nfs/dbraw/zinc/53/35/49/598533549.db2.gz SYLXUOYBVVJVLR-UHFFFAOYSA-N -1 3 364.405 3.293 20 0 FGADHM O=C(COc1cccc(-c2nnn[n-]2)c1)O[C@H]1CCc2ccc(Cl)cc21 ZINC000737924791 598538082 /nfs/dbraw/zinc/53/80/82/598538082.db2.gz LIZBUFBBGMVZNV-INIZCTEOSA-N -1 3 370.796 3.130 20 0 FGADHM O=C(COc1cccc(-c2nn[n-]n2)c1)O[C@H]1CCc2ccc(Cl)cc21 ZINC000737924791 598538083 /nfs/dbraw/zinc/53/80/83/598538083.db2.gz LIZBUFBBGMVZNV-INIZCTEOSA-N -1 3 370.796 3.130 20 0 FGADHM C[C@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)C(C)(C)c1ccccc1 ZINC000736101619 598541552 /nfs/dbraw/zinc/54/15/52/598541552.db2.gz OKCINEIHQOGYNI-PLFFATQSSA-N -1 3 361.449 3.362 20 0 FGADHM C[C@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)C(C)(C)c1ccccc1 ZINC000736101619 598541554 /nfs/dbraw/zinc/54/15/54/598541554.db2.gz OKCINEIHQOGYNI-PLFFATQSSA-N -1 3 361.449 3.362 20 0 FGADHM CSCC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000737179141 598542012 /nfs/dbraw/zinc/54/20/12/598542012.db2.gz HZWBQXCFWPCYJL-UHFFFAOYSA-N -1 3 369.450 3.056 20 0 FGADHM CSCC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000737179141 598542014 /nfs/dbraw/zinc/54/20/14/598542014.db2.gz HZWBQXCFWPCYJL-UHFFFAOYSA-N -1 3 369.450 3.056 20 0 FGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCC1(C)CCCC1 ZINC000735874686 598542536 /nfs/dbraw/zinc/54/25/36/598542536.db2.gz LWBLFFAWWPSVTL-UHFFFAOYSA-N -1 3 356.474 3.367 20 0 FGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCC1(C)CCCC1 ZINC000735874686 598542537 /nfs/dbraw/zinc/54/25/37/598542537.db2.gz LWBLFFAWWPSVTL-UHFFFAOYSA-N -1 3 356.474 3.367 20 0 FGADHM O=C(OCCCc1c(F)cccc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000738221465 598543892 /nfs/dbraw/zinc/54/38/92/598543892.db2.gz JRKODIKUQZNLNE-UHFFFAOYSA-N -1 3 360.776 3.449 20 0 FGADHM O=C(OCCCc1c(F)cccc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000738221465 598543894 /nfs/dbraw/zinc/54/38/94/598543894.db2.gz JRKODIKUQZNLNE-UHFFFAOYSA-N -1 3 360.776 3.449 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@H](C)c1ccccc1F ZINC000736626300 598551564 /nfs/dbraw/zinc/55/15/64/598551564.db2.gz FXLSNXWXGZWFLA-LLVKDONJSA-N -1 3 356.357 3.114 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@H](C)c1ccccc1F ZINC000736626300 598551565 /nfs/dbraw/zinc/55/15/65/598551565.db2.gz FXLSNXWXGZWFLA-LLVKDONJSA-N -1 3 356.357 3.114 20 0 FGADHM CC(C)CCOC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000735811822 598557060 /nfs/dbraw/zinc/55/70/60/598557060.db2.gz WIDGPXBRKUOFTC-UHFFFAOYSA-N -1 3 356.382 3.242 20 0 FGADHM O=C(Oc1ccccc1Cl)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738246092 598571097 /nfs/dbraw/zinc/57/10/97/598571097.db2.gz ARMXSGVJUQXVDK-OAHLLOKOSA-N -1 3 369.812 3.095 20 0 FGADHM O=C(CCc1ccc(-c2ccccc2)[nH]1)Nc1ccccc1-c1nnn[n-]1 ZINC000737853900 598572514 /nfs/dbraw/zinc/57/25/14/598572514.db2.gz WSERVLUBYOBNLB-UHFFFAOYSA-N -1 3 358.405 3.433 20 0 FGADHM O=C(CCc1ccc(-c2ccccc2)[nH]1)Nc1ccccc1-c1nn[n-]n1 ZINC000737853900 598572515 /nfs/dbraw/zinc/57/25/15/598572515.db2.gz WSERVLUBYOBNLB-UHFFFAOYSA-N -1 3 358.405 3.433 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N(C)[C@H](C)c1cccc(O)c1 ZINC000737292161 598583407 /nfs/dbraw/zinc/58/34/07/598583407.db2.gz SOJGNCFBZXWWOT-GFCCVEGCSA-N -1 3 352.398 3.106 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N(C)[C@H](C)c1cccc(O)c1 ZINC000737292161 598583409 /nfs/dbraw/zinc/58/34/09/598583409.db2.gz SOJGNCFBZXWWOT-GFCCVEGCSA-N -1 3 352.398 3.106 20 0 FGADHM O=C(OCc1ncc(-c2cccs2)o1)c1sccc1-c1nnn[n-]1 ZINC000738245219 598584364 /nfs/dbraw/zinc/58/43/64/598584364.db2.gz PFKPPRCDLFTLMX-UHFFFAOYSA-N -1 3 359.392 3.002 20 0 FGADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1F)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000738232152 598584641 /nfs/dbraw/zinc/58/46/41/598584641.db2.gz PVNIBCVWYVINHQ-CHWSQXEVSA-N -1 3 374.322 3.131 20 0 FGADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1F)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000738232152 598584643 /nfs/dbraw/zinc/58/46/43/598584643.db2.gz PVNIBCVWYVINHQ-CHWSQXEVSA-N -1 3 374.322 3.131 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(F)c(C(F)(F)F)c1 ZINC000738167794 598584666 /nfs/dbraw/zinc/58/46/66/598584666.db2.gz VJBRYJNFVCKBFI-UHFFFAOYSA-N -1 3 369.253 3.416 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(F)c(C(F)(F)F)c1 ZINC000738167794 598584668 /nfs/dbraw/zinc/58/46/68/598584668.db2.gz VJBRYJNFVCKBFI-UHFFFAOYSA-N -1 3 369.253 3.416 20 0 FGADHM CCc1cccc2c(CC(=O)N[C@@H](C)c3ccc(-c4nnn[n-]4)cc3)c[nH]c21 ZINC000736694774 598586220 /nfs/dbraw/zinc/58/62/20/598586220.db2.gz CCQIAVZRAPAARW-ZDUSSCGKSA-N -1 3 374.448 3.330 20 0 FGADHM CCc1cccc2c(CC(=O)N[C@@H](C)c3ccc(-c4nn[n-]n4)cc3)c[nH]c21 ZINC000736694774 598586222 /nfs/dbraw/zinc/58/62/22/598586222.db2.gz CCQIAVZRAPAARW-ZDUSSCGKSA-N -1 3 374.448 3.330 20 0 FGADHM C[C@@H]1C[C@@H]1c1ccc(CCC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)o1 ZINC000736242117 598587461 /nfs/dbraw/zinc/58/74/61/598587461.db2.gz ZDXHRUBBVLKLJE-MFKMUULPSA-N -1 3 355.373 3.294 20 0 FGADHM C[C@@H]1C[C@@H]1c1ccc(CCC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)o1 ZINC000736242117 598587463 /nfs/dbraw/zinc/58/74/63/598587463.db2.gz ZDXHRUBBVLKLJE-MFKMUULPSA-N -1 3 355.373 3.294 20 0 FGADHM O=C(c1ccc(-c2nnn[n-]2)cc1)N1CCCc2cc(Cl)cc(F)c21 ZINC000738256030 598588396 /nfs/dbraw/zinc/58/83/96/598588396.db2.gz WNTCTHGNZVEJCZ-UHFFFAOYSA-N -1 3 357.776 3.252 20 0 FGADHM O=C(c1ccc(-c2nn[n-]n2)cc1)N1CCCc2cc(Cl)cc(F)c21 ZINC000738256030 598588397 /nfs/dbraw/zinc/58/83/97/598588397.db2.gz WNTCTHGNZVEJCZ-UHFFFAOYSA-N -1 3 357.776 3.252 20 0 FGADHM Cc1cccc(OC(F)F)c1NC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000737401942 598601507 /nfs/dbraw/zinc/60/15/07/598601507.db2.gz QPPNQNLBLUIHRG-UHFFFAOYSA-N -1 3 374.351 3.098 20 0 FGADHM Cc1cccc(OC(F)F)c1NC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000737401942 598601508 /nfs/dbraw/zinc/60/15/08/598601508.db2.gz QPPNQNLBLUIHRG-UHFFFAOYSA-N -1 3 374.351 3.098 20 0 FGADHM CCC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000736435018 598608443 /nfs/dbraw/zinc/60/84/43/598608443.db2.gz ISAYGXGBKVYBFZ-FMKPAKJESA-N -1 3 357.458 3.109 20 0 FGADHM CCC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000736435018 598608445 /nfs/dbraw/zinc/60/84/45/598608445.db2.gz ISAYGXGBKVYBFZ-FMKPAKJESA-N -1 3 357.458 3.109 20 0 FGADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)c1nc(Cc2cccs2)no1 ZINC000736170133 598608546 /nfs/dbraw/zinc/60/85/46/598608546.db2.gz RVMSLJUWAXXOPL-JTQLQIEISA-N -1 3 354.395 3.042 20 0 FGADHM CCCc1noc(-c2ccc(OCc3ccccc3-c3nnn[n-]3)cc2)n1 ZINC000736500159 598609484 /nfs/dbraw/zinc/60/94/84/598609484.db2.gz NQHCMVJICMWTND-UHFFFAOYSA-N -1 3 362.393 3.448 20 0 FGADHM CCCc1noc(-c2ccc(OCc3ccccc3-c3nn[n-]n3)cc2)n1 ZINC000736500159 598609486 /nfs/dbraw/zinc/60/94/86/598609486.db2.gz NQHCMVJICMWTND-UHFFFAOYSA-N -1 3 362.393 3.448 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N(Cc1cccs1)C1CC1 ZINC000738164081 598624893 /nfs/dbraw/zinc/62/48/93/598624893.db2.gz XKQVCGSJEPTXMC-UHFFFAOYSA-N -1 3 358.402 3.264 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N(Cc1cccs1)C1CC1 ZINC000738164081 598624895 /nfs/dbraw/zinc/62/48/95/598624895.db2.gz XKQVCGSJEPTXMC-UHFFFAOYSA-N -1 3 358.402 3.264 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N1CC[C@@H](c2ccccc2)C1 ZINC000738164008 598629782 /nfs/dbraw/zinc/62/97/82/598629782.db2.gz WGSBXEIYIZKXHW-CYBMUJFWSA-N -1 3 352.373 3.027 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N1CC[C@@H](c2ccccc2)C1 ZINC000738164008 598629784 /nfs/dbraw/zinc/62/97/84/598629784.db2.gz WGSBXEIYIZKXHW-CYBMUJFWSA-N -1 3 352.373 3.027 20 0 FGADHM Cc1ccc(SCCNC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000737369958 598631182 /nfs/dbraw/zinc/63/11/82/598631182.db2.gz ZJDILGCBPVICLC-UHFFFAOYSA-N -1 3 372.429 3.228 20 0 FGADHM Cc1ccc(SCCNC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000737369958 598631184 /nfs/dbraw/zinc/63/11/84/598631184.db2.gz ZJDILGCBPVICLC-UHFFFAOYSA-N -1 3 372.429 3.228 20 0 FGADHM O=C(NCCCSc1ccccc1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738076816 598631360 /nfs/dbraw/zinc/63/13/60/598631360.db2.gz VVUZCMWBVGJZJT-UHFFFAOYSA-N -1 3 372.429 3.310 20 0 FGADHM O=C(NCCCSc1ccccc1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738076816 598631362 /nfs/dbraw/zinc/63/13/62/598631362.db2.gz VVUZCMWBVGJZJT-UHFFFAOYSA-N -1 3 372.429 3.310 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N1CCC[C@@H]1Cc1ccccc1 ZINC000738163212 598632074 /nfs/dbraw/zinc/63/20/74/598632074.db2.gz PXMZRYFRQNGUQC-OAHLLOKOSA-N -1 3 366.400 3.245 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N1CCC[C@@H]1Cc1ccccc1 ZINC000738163212 598632076 /nfs/dbraw/zinc/63/20/76/598632076.db2.gz PXMZRYFRQNGUQC-OAHLLOKOSA-N -1 3 366.400 3.245 20 0 FGADHM O=C(O[C@H](c1ccccc1)c1cccnc1)c1cccc(-c2nnn[n-]2)c1 ZINC000738216410 598642720 /nfs/dbraw/zinc/64/27/20/598642720.db2.gz ZDMOSQUGUFLIOR-GOSISDBHSA-N -1 3 357.373 3.208 20 0 FGADHM O=C(O[C@H](c1ccccc1)c1cccnc1)c1cccc(-c2nn[n-]n2)c1 ZINC000738216410 598642722 /nfs/dbraw/zinc/64/27/22/598642722.db2.gz ZDMOSQUGUFLIOR-GOSISDBHSA-N -1 3 357.373 3.208 20 0 FGADHM Fc1ccc(CSc2nccc(C(F)(F)F)n2)c(-c2nn[n-]n2)c1 ZINC000737650201 598644908 /nfs/dbraw/zinc/64/49/08/598644908.db2.gz POJDWQIOZHUSBP-UHFFFAOYSA-N -1 3 356.308 3.107 20 0 FGADHM Fc1ccc(CSc2nccc(C(F)(F)F)n2)c(-c2nnn[n-]2)c1 ZINC000737650201 598644906 /nfs/dbraw/zinc/64/49/06/598644906.db2.gz POJDWQIOZHUSBP-UHFFFAOYSA-N -1 3 356.308 3.107 20 0 FGADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)Nc1cc(F)ccc1F ZINC000737833603 598645611 /nfs/dbraw/zinc/64/56/11/598645611.db2.gz XMJQIIKGYPNPFD-UHFFFAOYSA-N -1 3 373.363 3.333 20 0 FGADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)Nc1cc(F)ccc1F ZINC000737833603 598645612 /nfs/dbraw/zinc/64/56/12/598645612.db2.gz XMJQIIKGYPNPFD-UHFFFAOYSA-N -1 3 373.363 3.333 20 0 FGADHM CC(C)CN(C(=O)c1ncoc1C(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000735827541 598650953 /nfs/dbraw/zinc/65/09/53/598650953.db2.gz PSCBZPQRUZABLU-UHFFFAOYSA-N -1 3 354.414 3.281 20 0 FGADHM CC(C)CN(C(=O)c1ncoc1C(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000735827541 598650955 /nfs/dbraw/zinc/65/09/55/598650955.db2.gz PSCBZPQRUZABLU-UHFFFAOYSA-N -1 3 354.414 3.281 20 0 FGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N[C@@H](c1ccccc1)C1CC1 ZINC000737941446 598651015 /nfs/dbraw/zinc/65/10/15/598651015.db2.gz AXHVIBUOURFEFH-SFHVURJKSA-N -1 3 365.462 3.226 20 0 FGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N[C@@H](c1ccccc1)C1CC1 ZINC000737941446 598651017 /nfs/dbraw/zinc/65/10/17/598651017.db2.gz AXHVIBUOURFEFH-SFHVURJKSA-N -1 3 365.462 3.226 20 0 FGADHM COc1ccccc1[C@@H](C)CC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737143081 598652899 /nfs/dbraw/zinc/65/28/99/598652899.db2.gz SBDYZFICGAEGMA-KBPBESRZSA-N -1 3 365.437 3.246 20 0 FGADHM COc1ccccc1[C@@H](C)CC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737143081 598652901 /nfs/dbraw/zinc/65/29/01/598652901.db2.gz SBDYZFICGAEGMA-KBPBESRZSA-N -1 3 365.437 3.246 20 0 FGADHM CCCOc1cccc(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736492676 598653048 /nfs/dbraw/zinc/65/30/48/598653048.db2.gz LTBBFVMNPISZSR-UHFFFAOYSA-N -1 3 369.450 3.386 20 0 FGADHM CCCOc1cccc(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736492676 598653049 /nfs/dbraw/zinc/65/30/49/598653049.db2.gz LTBBFVMNPISZSR-UHFFFAOYSA-N -1 3 369.450 3.386 20 0 FGADHM CC(C)[C@@H]1CCCC[C@H]1NC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000735749093 598661712 /nfs/dbraw/zinc/66/17/12/598661712.db2.gz MLBRUJJUMGDXKV-DLBZAZTESA-N -1 3 373.526 3.431 20 0 FGADHM CC(C)[C@@H]1CCCC[C@H]1NC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000735749093 598661714 /nfs/dbraw/zinc/66/17/14/598661714.db2.gz MLBRUJJUMGDXKV-DLBZAZTESA-N -1 3 373.526 3.431 20 0 FGADHM Cc1ccc(C(C)(C)CNC(=O)CCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737318799 598662357 /nfs/dbraw/zinc/66/23/57/598662357.db2.gz XQOMCXFGDRFPEI-UHFFFAOYSA-N -1 3 363.465 3.202 20 0 FGADHM Cc1ccc(C(C)(C)CNC(=O)CCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737318799 598662360 /nfs/dbraw/zinc/66/23/60/598662360.db2.gz XQOMCXFGDRFPEI-UHFFFAOYSA-N -1 3 363.465 3.202 20 0 FGADHM C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000736190660 598663672 /nfs/dbraw/zinc/66/36/72/598663672.db2.gz GIZFCTFFXGJLCZ-SECBINFHSA-N -1 3 360.830 3.034 20 0 FGADHM C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000736190660 598663673 /nfs/dbraw/zinc/66/36/73/598663673.db2.gz GIZFCTFFXGJLCZ-SECBINFHSA-N -1 3 360.830 3.034 20 0 FGADHM O=C(c1cccc(-c2nnn[n-]2)c1)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000738270725 598670303 /nfs/dbraw/zinc/67/03/03/598670303.db2.gz WBQDODIGXAPMIX-OAHLLOKOSA-N -1 3 353.813 3.150 20 0 FGADHM O=C(c1cccc(-c2nn[n-]n2)c1)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000738270725 598670304 /nfs/dbraw/zinc/67/03/04/598670304.db2.gz WBQDODIGXAPMIX-OAHLLOKOSA-N -1 3 353.813 3.150 20 0 FGADHM Clc1cc(N2CCCO[C@@H](c3ccccc3)C2)ccc1-c1nnn[n-]1 ZINC000737563010 598673372 /nfs/dbraw/zinc/67/33/72/598673372.db2.gz CDIVNNXGFLBMKZ-QGZVFWFLSA-N -1 3 355.829 3.488 20 0 FGADHM Clc1cc(N2CCCO[C@@H](c3ccccc3)C2)ccc1-c1nn[n-]n1 ZINC000737563010 598673375 /nfs/dbraw/zinc/67/33/75/598673375.db2.gz CDIVNNXGFLBMKZ-QGZVFWFLSA-N -1 3 355.829 3.488 20 0 FGADHM CN(CC1CCCCC1)C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736794995 598683505 /nfs/dbraw/zinc/68/35/05/598683505.db2.gz URHPAXMHPSEGBD-UHFFFAOYSA-N -1 3 371.485 3.455 20 0 FGADHM CN(CC1CCCCC1)C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736794995 598683506 /nfs/dbraw/zinc/68/35/06/598683506.db2.gz URHPAXMHPSEGBD-UHFFFAOYSA-N -1 3 371.485 3.455 20 0 FGADHM c1csc(-c2ccn(CCCOc3ccc(-c4nn[n-]n4)cc3)n2)c1 ZINC000738447862 598701359 /nfs/dbraw/zinc/70/13/59/598701359.db2.gz JHEHTJDBVMASKV-UHFFFAOYSA-N -1 3 352.423 3.261 20 0 FGADHM Cc1ccc(SCC(=O)OCc2ccc(F)cc2-c2nnn[n-]2)c(C)c1 ZINC000737368978 598702237 /nfs/dbraw/zinc/70/22/37/598702237.db2.gz OTYZMVBWOTZLPL-UHFFFAOYSA-N -1 3 372.425 3.458 20 0 FGADHM Cc1ccc(SCC(=O)OCc2ccc(F)cc2-c2nn[n-]n2)c(C)c1 ZINC000737368978 598702238 /nfs/dbraw/zinc/70/22/38/598702238.db2.gz OTYZMVBWOTZLPL-UHFFFAOYSA-N -1 3 372.425 3.458 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000738233034 598708630 /nfs/dbraw/zinc/70/86/30/598708630.db2.gz ZSTLWAAWSQDBKN-KOLCDFICSA-N -1 3 372.322 3.418 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000738233034 598708631 /nfs/dbraw/zinc/70/86/31/598708631.db2.gz ZSTLWAAWSQDBKN-KOLCDFICSA-N -1 3 372.322 3.418 20 0 FGADHM CCS[C@@H]1CCCCN(C(=O)C=Cc2ccccc2-c2nnn[n-]2)C1 ZINC000736668325 598742737 /nfs/dbraw/zinc/74/27/37/598742737.db2.gz ZPWCREDLRISQTC-JQPIKURYSA-N -1 3 357.483 3.014 20 0 FGADHM CCS[C@@H]1CCCCN(C(=O)C=Cc2ccccc2-c2nn[n-]n2)C1 ZINC000736668325 598742740 /nfs/dbraw/zinc/74/27/40/598742740.db2.gz ZPWCREDLRISQTC-JQPIKURYSA-N -1 3 357.483 3.014 20 0 FGADHM CC(C)(C)CN(Cc1ccccc1)C(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000735619009 598746365 /nfs/dbraw/zinc/74/63/65/598746365.db2.gz PQSUHTZNHUVDSV-UHFFFAOYSA-N -1 3 363.465 3.484 20 0 FGADHM CC(C)(C)CN(Cc1ccccc1)C(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000735619009 598746366 /nfs/dbraw/zinc/74/63/66/598746366.db2.gz PQSUHTZNHUVDSV-UHFFFAOYSA-N -1 3 363.465 3.484 20 0 FGADHM CC(C)[C@H]1CCC[C@@H](NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000735746546 598747603 /nfs/dbraw/zinc/74/76/03/598747603.db2.gz CRRDJJFXNMLKPC-LSDHHAIUSA-N -1 3 359.499 3.290 20 0 FGADHM CC(C)[C@H]1CCC[C@@H](NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000735746546 598747604 /nfs/dbraw/zinc/74/76/04/598747604.db2.gz CRRDJJFXNMLKPC-LSDHHAIUSA-N -1 3 359.499 3.290 20 0 FGADHM CC(C)[C@@H]1CCC[C@@H](NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000735746545 598747642 /nfs/dbraw/zinc/74/76/42/598747642.db2.gz CRRDJJFXNMLKPC-HUUCEWRRSA-N -1 3 359.499 3.290 20 0 FGADHM CC(C)[C@@H]1CCC[C@@H](NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000735746545 598747643 /nfs/dbraw/zinc/74/76/43/598747643.db2.gz CRRDJJFXNMLKPC-HUUCEWRRSA-N -1 3 359.499 3.290 20 0 FGADHM CCS[C@H]1CCCCN(C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)C1 ZINC000736663765 598750342 /nfs/dbraw/zinc/75/03/42/598750342.db2.gz HDZCBBGPZMGLTK-AWEZNQCLSA-N -1 3 360.487 3.315 20 0 FGADHM CCS[C@H]1CCCCN(C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)C1 ZINC000736663765 598750343 /nfs/dbraw/zinc/75/03/43/598750343.db2.gz HDZCBBGPZMGLTK-AWEZNQCLSA-N -1 3 360.487 3.315 20 0 FGADHM c1ccc2oc(N3CCC(Oc4ccc(-c5nn[n-]n5)cc4)CC3)nc2c1 ZINC000738442962 598756692 /nfs/dbraw/zinc/75/66/92/598756692.db2.gz SNFRMDPNCVMSJF-UHFFFAOYSA-N -1 3 362.393 3.056 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@@H](CC)Cc1ccccc1 ZINC000736628610 598762930 /nfs/dbraw/zinc/76/29/30/598762930.db2.gz RLNQSZPXABNUIZ-HNNXBMFYSA-N -1 3 366.421 3.440 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@@H](CC)Cc1ccccc1 ZINC000736628610 598762932 /nfs/dbraw/zinc/76/29/32/598762932.db2.gz RLNQSZPXABNUIZ-HNNXBMFYSA-N -1 3 366.421 3.440 20 0 FGADHM Fc1cccc(CNc2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)c1 ZINC000737660326 598771165 /nfs/dbraw/zinc/77/11/65/598771165.db2.gz ILQQYNGPMQOPOJ-UHFFFAOYSA-N -1 3 356.311 3.444 20 0 FGADHM Fc1cccc(CNc2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)c1 ZINC000737660326 598771166 /nfs/dbraw/zinc/77/11/66/598771166.db2.gz ILQQYNGPMQOPOJ-UHFFFAOYSA-N -1 3 356.311 3.444 20 0 FGADHM CC[C@@H](CC(=O)OCCOc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000736332348 598780162 /nfs/dbraw/zinc/78/01/62/598780162.db2.gz MHGPHSVBKBZSRZ-HNNXBMFYSA-N -1 3 366.421 3.373 20 0 FGADHM CC[C@@H](CC(=O)OCCOc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000736332348 598780163 /nfs/dbraw/zinc/78/01/63/598780163.db2.gz MHGPHSVBKBZSRZ-HNNXBMFYSA-N -1 3 366.421 3.373 20 0 FGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H]1CCc2ccccc21 ZINC000735875646 598789901 /nfs/dbraw/zinc/78/99/01/598789901.db2.gz XXGLRPCKFHITDD-LJQANCHMSA-N -1 3 361.449 3.334 20 0 FGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@H]1CCc2ccccc21 ZINC000735875646 598789903 /nfs/dbraw/zinc/78/99/03/598789903.db2.gz XXGLRPCKFHITDD-LJQANCHMSA-N -1 3 361.449 3.334 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)Cc1ccccc1Br ZINC000737292922 598790550 /nfs/dbraw/zinc/79/05/50/598790550.db2.gz XQLDEQZZIRNNSE-UHFFFAOYSA-N -1 3 372.226 3.119 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)Cc1ccccc1Br ZINC000737292922 598790551 /nfs/dbraw/zinc/79/05/51/598790551.db2.gz XQLDEQZZIRNNSE-UHFFFAOYSA-N -1 3 372.226 3.119 20 0 FGADHM COc1ccc(CN(C)c2ccc(Cl)cc2-c2nnn[n-]2)c(OC)c1 ZINC000737090597 598791747 /nfs/dbraw/zinc/79/17/47/598791747.db2.gz KFMHYUNGHRMCHJ-UHFFFAOYSA-N -1 3 359.817 3.174 20 0 FGADHM COc1ccc(CN(C)c2ccc(Cl)cc2-c2nn[n-]n2)c(OC)c1 ZINC000737090597 598791748 /nfs/dbraw/zinc/79/17/48/598791748.db2.gz KFMHYUNGHRMCHJ-UHFFFAOYSA-N -1 3 359.817 3.174 20 0 FGADHM CC(C)Oc1ccc(NC(=S)NCc2ccccc2)cc1-c1nnn[n-]1 ZINC000820173541 607367082 /nfs/dbraw/zinc/36/70/82/607367082.db2.gz HBHVBOKZCKYAMM-UHFFFAOYSA-N -1 3 368.466 3.141 20 0 FGADHM CC(C)Oc1ccc(NC(=S)NCc2ccccc2)cc1-c1nn[n-]n1 ZINC000820173541 607367084 /nfs/dbraw/zinc/36/70/84/607367084.db2.gz HBHVBOKZCKYAMM-UHFFFAOYSA-N -1 3 368.466 3.141 20 0 FGADHM O=C(CCCCCc1ccc(O)cc1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000737824859 598815330 /nfs/dbraw/zinc/81/53/30/598815330.db2.gz IYXRTRYZHVKTDA-UHFFFAOYSA-N -1 3 351.410 3.314 20 0 FGADHM O=C(CCCCCc1ccc(O)cc1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000737824859 598815332 /nfs/dbraw/zinc/81/53/32/598815332.db2.gz IYXRTRYZHVKTDA-UHFFFAOYSA-N -1 3 351.410 3.314 20 0 FGADHM COc1ccc2[nH]cc(CCNc3ncc(-c4nnn[n-]4)cc3Cl)c2c1 ZINC000737115352 598817751 /nfs/dbraw/zinc/81/77/51/598817751.db2.gz OVBWZWGHBWQPRT-UHFFFAOYSA-N -1 3 369.816 3.060 20 0 FGADHM COc1ccc2[nH]cc(CCNc3ncc(-c4nn[n-]n4)cc3Cl)c2c1 ZINC000737115352 598817753 /nfs/dbraw/zinc/81/77/53/598817753.db2.gz OVBWZWGHBWQPRT-UHFFFAOYSA-N -1 3 369.816 3.060 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)c1coc2ccccc12 ZINC000736627637 598822061 /nfs/dbraw/zinc/82/20/61/598822061.db2.gz OXFBMEJPBJDGAW-UHFFFAOYSA-N -1 3 350.334 3.231 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)c1coc2ccccc12 ZINC000736627637 598822062 /nfs/dbraw/zinc/82/20/62/598822062.db2.gz OXFBMEJPBJDGAW-UHFFFAOYSA-N -1 3 350.334 3.231 20 0 FGADHM Clc1cc(-c2nnn[n-]2)cnc1NCc1ccccc1OC1CCC1 ZINC000737558953 599305825 /nfs/dbraw/zinc/30/58/25/599305825.db2.gz SZZUOTDDFIXSEF-UHFFFAOYSA-N -1 3 356.817 3.459 20 0 FGADHM Clc1cc(-c2nn[n-]n2)cnc1NCc1ccccc1OC1CCC1 ZINC000737558953 599305827 /nfs/dbraw/zinc/30/58/27/599305827.db2.gz SZZUOTDDFIXSEF-UHFFFAOYSA-N -1 3 356.817 3.459 20 0 FGADHM CCN(C(=O)c1ccc(Cl)cc1OC)c1ccc(-c2nnn[n-]2)cc1 ZINC000736509648 599312373 /nfs/dbraw/zinc/31/23/73/599312373.db2.gz YYFQWDVLYJIBNW-UHFFFAOYSA-N -1 3 357.801 3.195 20 0 FGADHM CCN(C(=O)c1ccc(Cl)cc1OC)c1ccc(-c2nn[n-]n2)cc1 ZINC000736509648 599312376 /nfs/dbraw/zinc/31/23/76/599312376.db2.gz YYFQWDVLYJIBNW-UHFFFAOYSA-N -1 3 357.801 3.195 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NCc1ccc(OC(F)(F)F)cc1 ZINC000737063383 599328308 /nfs/dbraw/zinc/32/83/08/599328308.db2.gz XVONLDAEFFFFIU-UHFFFAOYSA-N -1 3 365.315 3.386 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NCc1ccc(OC(F)(F)F)cc1 ZINC000737063383 599328311 /nfs/dbraw/zinc/32/83/11/599328311.db2.gz XVONLDAEFFFFIU-UHFFFAOYSA-N -1 3 365.315 3.386 20 0 FGADHM COc1cccc(NC(=O)CS[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737138382 599331636 /nfs/dbraw/zinc/33/16/36/599331636.db2.gz HCDZYJDESJQTIO-LBPRGKRZSA-N -1 3 369.450 3.308 20 0 FGADHM COc1cccc(NC(=O)CS[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737138382 599331640 /nfs/dbraw/zinc/33/16/40/599331640.db2.gz HCDZYJDESJQTIO-LBPRGKRZSA-N -1 3 369.450 3.308 20 0 FGADHM C[C@H](S[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCC(C)CC1 ZINC000736278253 599331657 /nfs/dbraw/zinc/33/16/57/599331657.db2.gz QMQCWIDWDRVHBG-KBPBESRZSA-N -1 3 359.499 3.308 20 0 FGADHM C[C@H](S[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCC(C)CC1 ZINC000736278253 599331659 /nfs/dbraw/zinc/33/16/59/599331659.db2.gz QMQCWIDWDRVHBG-KBPBESRZSA-N -1 3 359.499 3.308 20 0 FGADHM FC(F)(F)Cc1ccc(NCCOc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737627998 599331677 /nfs/dbraw/zinc/33/16/77/599331677.db2.gz SUGSUFAZZGZLQX-UHFFFAOYSA-N -1 3 363.343 3.462 20 0 FGADHM FC(F)(F)Cc1ccc(NCCOc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737627998 599331679 /nfs/dbraw/zinc/33/16/79/599331679.db2.gz SUGSUFAZZGZLQX-UHFFFAOYSA-N -1 3 363.343 3.462 20 0 FGADHM C[C@H](SC1=Nc2ccccc2C1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736187945 599339346 /nfs/dbraw/zinc/33/93/46/599339346.db2.gz DTDJDTZQPPUEIZ-NSHDSACASA-N -1 3 364.434 3.213 20 0 FGADHM C[C@H](SC1=Nc2ccccc2C1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736187945 599339348 /nfs/dbraw/zinc/33/93/48/599339348.db2.gz DTDJDTZQPPUEIZ-NSHDSACASA-N -1 3 364.434 3.213 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1CNc1cc(Cl)ccc1NC(C)=O ZINC000821733055 607371019 /nfs/dbraw/zinc/37/10/19/607371019.db2.gz ZFHVMZAUHSBLOU-UHFFFAOYSA-N -1 3 372.816 3.099 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1CNc1cc(Cl)ccc1NC(C)=O ZINC000821733055 607371020 /nfs/dbraw/zinc/37/10/20/607371020.db2.gz ZFHVMZAUHSBLOU-UHFFFAOYSA-N -1 3 372.816 3.099 20 0 FGADHM COCCOc1cc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)ccc1OC ZINC000821693223 599367467 /nfs/dbraw/zinc/36/74/67/599367467.db2.gz YASADCUQFJJSPR-CYBMUJFWSA-N -1 3 369.425 3.074 20 0 FGADHM COCCOc1cc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)ccc1OC ZINC000821693223 599367470 /nfs/dbraw/zinc/36/74/70/599367470.db2.gz YASADCUQFJJSPR-CYBMUJFWSA-N -1 3 369.425 3.074 20 0 FGADHM CCN(C(=O)c1ccc(Cl)cn1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736508477 599371946 /nfs/dbraw/zinc/37/19/46/599371946.db2.gz MRQHFKYDNBEETI-NSHDSACASA-N -1 3 356.817 3.138 20 0 FGADHM CCN(C(=O)c1ccc(Cl)cn1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736508477 599371949 /nfs/dbraw/zinc/37/19/49/599371949.db2.gz MRQHFKYDNBEETI-NSHDSACASA-N -1 3 356.817 3.138 20 0 FGADHM Cc1c(Cl)cccc1OCC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737215317 599372791 /nfs/dbraw/zinc/37/27/91/599372791.db2.gz HAXSYSDQXTZNHU-LBPRGKRZSA-N -1 3 371.828 3.085 20 0 FGADHM Cc1c(Cl)cccc1OCC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737215317 599372793 /nfs/dbraw/zinc/37/27/93/599372793.db2.gz HAXSYSDQXTZNHU-LBPRGKRZSA-N -1 3 371.828 3.085 20 0 FGADHM CCC(=CC(=O)OCC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000825029083 607371648 /nfs/dbraw/zinc/37/16/48/607371648.db2.gz MRFGVGZCLPXMHG-WYMLVPIESA-N -1 3 362.389 3.086 20 0 FGADHM CCC(=CC(=O)OCC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000825029083 607371650 /nfs/dbraw/zinc/37/16/50/607371650.db2.gz MRFGVGZCLPXMHG-WYMLVPIESA-N -1 3 362.389 3.086 20 0 FGADHM Cc1cc(-c2nn[n-]n2)cc(C)c1OCC(=O)Nc1ccc(Cl)cc1 ZINC000822128913 599386322 /nfs/dbraw/zinc/38/63/22/599386322.db2.gz GFQQNWFZGKDVIS-UHFFFAOYSA-N -1 3 357.801 3.154 20 0 FGADHM O=C1CCCc2c(OCCCOc3ccc(-c4nn[n-]n4)cc3)cccc21 ZINC000823531182 599390200 /nfs/dbraw/zinc/39/02/00/599390200.db2.gz ZPVSYOUQSWHNDJ-UHFFFAOYSA-N -1 3 364.405 3.234 20 0 FGADHM C[C@@H](NC(=O)N[C@@H](C)CCc1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820253105 599398382 /nfs/dbraw/zinc/39/83/82/599398382.db2.gz FLDFQWZZBYDOAF-LSDHHAIUSA-N -1 3 364.453 3.248 20 0 FGADHM C[C@@H](NC(=O)N[C@@H](C)CCc1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820253105 599398384 /nfs/dbraw/zinc/39/83/84/599398384.db2.gz FLDFQWZZBYDOAF-LSDHHAIUSA-N -1 3 364.453 3.248 20 0 FGADHM c1ccc2c(c1)[nH]c1c2CN(c2cc(-c3nnn[n-]3)c3ccccc3n2)CC1 ZINC000738432627 599400731 /nfs/dbraw/zinc/40/07/31/599400731.db2.gz ITDRRILHKRYMFD-UHFFFAOYSA-N -1 3 367.416 3.459 20 0 FGADHM c1ccc2c(c1)[nH]c1c2CN(c2cc(-c3nn[n-]n3)c3ccccc3n2)CC1 ZINC000738432627 599400735 /nfs/dbraw/zinc/40/07/35/599400735.db2.gz ITDRRILHKRYMFD-UHFFFAOYSA-N -1 3 367.416 3.459 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1COc1ccc(Cl)cc1C(C)=O ZINC000821749465 607375887 /nfs/dbraw/zinc/37/58/87/607375887.db2.gz NMNPNNFHBPTRBA-UHFFFAOYSA-N -1 3 358.785 3.310 20 0 FGADHM c1ccc([C@@H]2CN(c3cc(-c4nnn[n-]4)c4ccccc4n3)CCCO2)cc1 ZINC000738429348 599430675 /nfs/dbraw/zinc/43/06/75/599430675.db2.gz YBMFXVSIFPYLGW-IBGZPJMESA-N -1 3 372.432 3.383 20 0 FGADHM c1ccc([C@@H]2CN(c3cc(-c4nn[n-]n4)c4ccccc4n3)CCCO2)cc1 ZINC000738429348 599430677 /nfs/dbraw/zinc/43/06/77/599430677.db2.gz YBMFXVSIFPYLGW-IBGZPJMESA-N -1 3 372.432 3.383 20 0 FGADHM CCc1nccn1[C@H]1CCCN(c2cc(Cl)ccc2-c2nn[n-]n2)C1 ZINC000736705965 599431990 /nfs/dbraw/zinc/43/19/90/599431990.db2.gz QVJTXEYOUOHJTJ-ZDUSSCGKSA-N -1 3 357.849 3.121 20 0 FGADHM C[C@@H](NC(=O)NCC[C@@H]1CCC[C@@H](C)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820697828 599442492 /nfs/dbraw/zinc/44/24/92/599442492.db2.gz MUPTVSNGQMNMKK-KFWWJZLASA-N -1 3 356.474 3.443 20 0 FGADHM C[C@@H](NC(=O)NCC[C@@H]1CCC[C@@H](C)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820697828 599442494 /nfs/dbraw/zinc/44/24/94/599442494.db2.gz MUPTVSNGQMNMKK-KFWWJZLASA-N -1 3 356.474 3.443 20 0 FGADHM COc1cc(C)c(CN(C)c2cccc(Cl)c2-c2nnn[n-]2)cc1OC ZINC000821708538 599460149 /nfs/dbraw/zinc/46/01/49/599460149.db2.gz RXONVBPGPWVUEQ-UHFFFAOYSA-N -1 3 373.844 3.482 20 0 FGADHM COc1cc(C)c(CN(C)c2cccc(Cl)c2-c2nn[n-]n2)cc1OC ZINC000821708538 599460151 /nfs/dbraw/zinc/46/01/51/599460151.db2.gz RXONVBPGPWVUEQ-UHFFFAOYSA-N -1 3 373.844 3.482 20 0 FGADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CCc1cc(Cl)cs1 ZINC000736820516 599465787 /nfs/dbraw/zinc/46/57/87/599465787.db2.gz OESJCVUTQSANLO-UHFFFAOYSA-N -1 3 361.858 3.173 20 0 FGADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CCc1cc(Cl)cs1 ZINC000736820516 599465789 /nfs/dbraw/zinc/46/57/89/599465789.db2.gz OESJCVUTQSANLO-UHFFFAOYSA-N -1 3 361.858 3.173 20 0 FGADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C(C)(C)c1cccc(Cl)c1 ZINC000736820575 599465872 /nfs/dbraw/zinc/46/58/72/599465872.db2.gz PMKGZOBBAVTVBK-UHFFFAOYSA-N -1 3 369.856 3.456 20 0 FGADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C(C)(C)c1cccc(Cl)c1 ZINC000736820575 599465874 /nfs/dbraw/zinc/46/58/74/599465874.db2.gz PMKGZOBBAVTVBK-UHFFFAOYSA-N -1 3 369.856 3.456 20 0 FGADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)N1CCCCC[C@H]1c1ccco1 ZINC000737962069 599469323 /nfs/dbraw/zinc/46/93/23/599469323.db2.gz NQYODDHQQHZCHD-INIZCTEOSA-N -1 3 351.410 3.146 20 0 FGADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)N1CCCCC[C@H]1c1ccco1 ZINC000737962069 599469324 /nfs/dbraw/zinc/46/93/24/599469324.db2.gz NQYODDHQQHZCHD-INIZCTEOSA-N -1 3 351.410 3.146 20 0 FGADHM CCN(Cc1ccc(C)cc1)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821222425 599471411 /nfs/dbraw/zinc/47/14/11/599471411.db2.gz RIJBMQLHEKXEEC-OAHLLOKOSA-N -1 3 364.453 3.468 20 0 FGADHM CCN(Cc1ccc(C)cc1)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821222425 599471414 /nfs/dbraw/zinc/47/14/14/599471414.db2.gz RIJBMQLHEKXEEC-OAHLLOKOSA-N -1 3 364.453 3.468 20 0 FGADHM C[C@H]1C[C@@H](c2ccc(F)cc2)CN1c1ncc(-c2nnn[n-]2)cc1Cl ZINC000736234838 599474392 /nfs/dbraw/zinc/47/43/92/599474392.db2.gz KXTRFQQBAMZIKM-GXFFZTMASA-N -1 3 358.808 3.437 20 0 FGADHM C[C@H]1C[C@@H](c2ccc(F)cc2)CN1c1ncc(-c2nn[n-]n2)cc1Cl ZINC000736234838 599474395 /nfs/dbraw/zinc/47/43/95/599474395.db2.gz KXTRFQQBAMZIKM-GXFFZTMASA-N -1 3 358.808 3.437 20 0 FGADHM C[C@H](NC(=O)N1CCc2sccc2[C@@H]1C)c1cccc(-c2nnn[n-]2)c1 ZINC000820353076 599479041 /nfs/dbraw/zinc/47/90/41/599479041.db2.gz XUUGRPZZPJTWNN-RYUDHWBXSA-N -1 3 368.466 3.318 20 0 FGADHM C[C@H](NC(=O)N1CCc2sccc2[C@@H]1C)c1cccc(-c2nn[n-]n2)c1 ZINC000820353076 599479043 /nfs/dbraw/zinc/47/90/43/599479043.db2.gz XUUGRPZZPJTWNN-RYUDHWBXSA-N -1 3 368.466 3.318 20 0 FGADHM COc1ccc(Cl)cc1CNc1c(-c2nnn[n-]2)cnc2ccccc21 ZINC000821828122 599480430 /nfs/dbraw/zinc/48/04/30/599480430.db2.gz QQMWXBQDWCFRAH-UHFFFAOYSA-N -1 3 366.812 3.111 20 0 FGADHM COc1ccc(Cl)cc1CNc1c(-c2nn[n-]n2)cnc2ccccc21 ZINC000821828122 599480433 /nfs/dbraw/zinc/48/04/33/599480433.db2.gz QQMWXBQDWCFRAH-UHFFFAOYSA-N -1 3 366.812 3.111 20 0 FGADHM CC[C@@H](NC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1)c1nc(C)cs1 ZINC000820919679 599481684 /nfs/dbraw/zinc/48/16/84/599481684.db2.gz FOUUHQIIJAZDPI-BXUZGUMPSA-N -1 3 371.470 3.143 20 0 FGADHM CC[C@@H](NC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1)c1nc(C)cs1 ZINC000820919679 599481687 /nfs/dbraw/zinc/48/16/87/599481687.db2.gz FOUUHQIIJAZDPI-BXUZGUMPSA-N -1 3 371.470 3.143 20 0 FGADHM C[C@@H](NC(=O)N[C@H]1CSc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820359962 599483517 /nfs/dbraw/zinc/48/35/17/599483517.db2.gz VYKQFMBYAGFEQN-ABAIWWIYSA-N -1 3 366.450 3.074 20 0 FGADHM C[C@@H](NC(=O)N[C@H]1CSc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820359962 599483520 /nfs/dbraw/zinc/48/35/20/599483520.db2.gz VYKQFMBYAGFEQN-ABAIWWIYSA-N -1 3 366.450 3.074 20 0 FGADHM COc1cc(CNc2c(-c3nnn[n-]3)cnc3c(C)cccc32)ccc1C ZINC000821717802 599490732 /nfs/dbraw/zinc/49/07/32/599490732.db2.gz ZEUIYWAAUROUIZ-UHFFFAOYSA-N -1 3 360.421 3.074 20 0 FGADHM COc1cc(CNc2c(-c3nn[n-]n3)cnc3c(C)cccc32)ccc1C ZINC000821717802 599490734 /nfs/dbraw/zinc/49/07/34/599490734.db2.gz ZEUIYWAAUROUIZ-UHFFFAOYSA-N -1 3 360.421 3.074 20 0 FGADHM CN(C(=O)[C@H]1C[C@@]12CCCc1ccccc12)c1cccc(-c2nnn[n-]2)c1 ZINC000821569665 599494665 /nfs/dbraw/zinc/49/46/65/599494665.db2.gz RJMUCMYCUPXWDV-WIYYLYMNSA-N -1 3 359.433 3.124 20 0 FGADHM CN(C(=O)[C@H]1C[C@@]12CCCc1ccccc12)c1cccc(-c2nn[n-]n2)c1 ZINC000821569665 599494670 /nfs/dbraw/zinc/49/46/70/599494670.db2.gz RJMUCMYCUPXWDV-WIYYLYMNSA-N -1 3 359.433 3.124 20 0 FGADHM C[C@@H](NC(=O)C=Cc1ccc(Cl)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820322095 599500961 /nfs/dbraw/zinc/50/09/61/599500961.db2.gz QPMPKAAQHISYNL-OFFHKIPUSA-N -1 3 353.813 3.411 20 0 FGADHM C[C@@H](NC(=O)C=Cc1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820322095 599500963 /nfs/dbraw/zinc/50/09/63/599500963.db2.gz QPMPKAAQHISYNL-OFFHKIPUSA-N -1 3 353.813 3.411 20 0 FGADHM CCCc1nc(C)c(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)s1 ZINC000821143097 599509541 /nfs/dbraw/zinc/50/95/41/599509541.db2.gz RAIUVFJGCVRBIK-JTQLQIEISA-N -1 3 356.455 3.075 20 0 FGADHM CCCc1nc(C)c(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)s1 ZINC000821143097 599509543 /nfs/dbraw/zinc/50/95/43/599509543.db2.gz RAIUVFJGCVRBIK-JTQLQIEISA-N -1 3 356.455 3.075 20 0 FGADHM C[C@H](CC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1)c1cccc(F)c1 ZINC000820218861 599513479 /nfs/dbraw/zinc/51/34/79/599513479.db2.gz AVYUKSPWEMJIPO-CHWSQXEVSA-N -1 3 353.401 3.377 20 0 FGADHM C[C@H](CC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1)c1cccc(F)c1 ZINC000820218861 599513481 /nfs/dbraw/zinc/51/34/81/599513481.db2.gz AVYUKSPWEMJIPO-CHWSQXEVSA-N -1 3 353.401 3.377 20 0 FGADHM CS[C@@H](C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000821942060 599526748 /nfs/dbraw/zinc/52/67/48/599526748.db2.gz KUHTZEYWCGMGAF-MLGOLLRUSA-N -1 3 353.451 3.148 20 0 FGADHM CS[C@@H](C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000821942060 599526751 /nfs/dbraw/zinc/52/67/51/599526751.db2.gz KUHTZEYWCGMGAF-MLGOLLRUSA-N -1 3 353.451 3.148 20 0 FGADHM C[C@H](NC(=O)[C@@]1(C)CCCc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820321927 599527990 /nfs/dbraw/zinc/52/79/90/599527990.db2.gz ODGYVFSBOJDSQN-QKKBWIMNSA-N -1 3 361.449 3.338 20 0 FGADHM C[C@H](NC(=O)[C@@]1(C)CCCc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820321927 599527992 /nfs/dbraw/zinc/52/79/92/599527992.db2.gz ODGYVFSBOJDSQN-QKKBWIMNSA-N -1 3 361.449 3.338 20 0 FGADHM Cc1cc(Nc2ccc(-c3nnn[n-]3)cn2)ccc1OCC(F)(F)F ZINC000737279466 599528142 /nfs/dbraw/zinc/52/81/42/599528142.db2.gz CXCPFFPJZGTIPR-UHFFFAOYSA-N -1 3 350.304 3.255 20 0 FGADHM Cc1cc(Nc2ccc(-c3nn[n-]n3)cn2)ccc1OCC(F)(F)F ZINC000737279466 599528146 /nfs/dbraw/zinc/52/81/46/599528146.db2.gz CXCPFFPJZGTIPR-UHFFFAOYSA-N -1 3 350.304 3.255 20 0 FGADHM C[C@@H](CSc1ccccc1)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820295176 599530397 /nfs/dbraw/zinc/53/03/97/599530397.db2.gz ZVVRAWPLTDRIIM-UONOGXRCSA-N -1 3 367.478 3.472 20 0 FGADHM C[C@@H](CSc1ccccc1)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820295176 599530399 /nfs/dbraw/zinc/53/03/99/599530399.db2.gz ZVVRAWPLTDRIIM-UONOGXRCSA-N -1 3 367.478 3.472 20 0 FGADHM C[C@@H](NC(=O)[C@H](C)CSc1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820295177 599530774 /nfs/dbraw/zinc/53/07/74/599530774.db2.gz ZVVRAWPLTDRIIM-ZIAGYGMSSA-N -1 3 367.478 3.472 20 0 FGADHM C[C@@H](NC(=O)[C@H](C)CSc1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820295177 599530775 /nfs/dbraw/zinc/53/07/75/599530775.db2.gz ZVVRAWPLTDRIIM-ZIAGYGMSSA-N -1 3 367.478 3.472 20 0 FGADHM C[C@@H](NC(=O)c1cc2cccc(F)c2o1)c1cccc(-c2nnn[n-]2)c1 ZINC000820390599 599534691 /nfs/dbraw/zinc/53/46/91/599534691.db2.gz JANRMBLPBXGBRJ-SNVBAGLBSA-N -1 3 351.341 3.243 20 0 FGADHM C[C@@H](NC(=O)c1cc2cccc(F)c2o1)c1cccc(-c2nn[n-]n2)c1 ZINC000820390599 599534693 /nfs/dbraw/zinc/53/46/93/599534693.db2.gz JANRMBLPBXGBRJ-SNVBAGLBSA-N -1 3 351.341 3.243 20 0 FGADHM C[C@H](NC(=O)CCc1ccc(Cl)s1)c1cccc(-c2nnn[n-]2)c1 ZINC000820329489 599535776 /nfs/dbraw/zinc/53/57/76/599535776.db2.gz WODZQUCQNVCOJG-JTQLQIEISA-N -1 3 361.858 3.392 20 0 FGADHM C[C@H](NC(=O)CCc1ccc(Cl)s1)c1cccc(-c2nn[n-]n2)c1 ZINC000820329489 599535780 /nfs/dbraw/zinc/53/57/80/599535780.db2.gz WODZQUCQNVCOJG-JTQLQIEISA-N -1 3 361.858 3.392 20 0 FGADHM C[C@H](Cc1ccccc1F)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000736057601 599539112 /nfs/dbraw/zinc/53/91/12/599539112.db2.gz HXIYAFYPJULXEJ-SNVBAGLBSA-N -1 3 371.441 3.373 20 0 FGADHM C[C@H](Cc1ccccc1F)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000736057601 599539114 /nfs/dbraw/zinc/53/91/14/599539114.db2.gz HXIYAFYPJULXEJ-SNVBAGLBSA-N -1 3 371.441 3.373 20 0 FGADHM C[C@H]1CCN(C(=O)CCc2ccc(-c3nnn[n-]3)cc2)[C@H](c2ccco2)C1 ZINC000820716908 599547848 /nfs/dbraw/zinc/54/78/48/599547848.db2.gz MKWVZCQQJCONEJ-YOEHRIQHSA-N -1 3 365.437 3.392 20 0 FGADHM C[C@H]1CCN(C(=O)CCc2ccc(-c3nn[n-]n3)cc2)[C@H](c2ccco2)C1 ZINC000820716908 599547850 /nfs/dbraw/zinc/54/78/50/599547850.db2.gz MKWVZCQQJCONEJ-YOEHRIQHSA-N -1 3 365.437 3.392 20 0 FGADHM CC[C@H](C)[C@H]1CCCCN1C(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000736330280 599548203 /nfs/dbraw/zinc/54/82/03/599548203.db2.gz MEPOFLSSCJOJMJ-GRDNDAEWSA-N -1 3 357.458 3.061 20 0 FGADHM C[C@@H]1CCN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)[C@@H](c2ccco2)C1 ZINC000820715709 599557455 /nfs/dbraw/zinc/55/74/55/599557455.db2.gz DKKUBYDBURLDGO-IUODEOHRSA-N -1 3 352.398 3.465 20 0 FGADHM C[C@@H]1CCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)[C@@H](c2ccco2)C1 ZINC000820715709 599557457 /nfs/dbraw/zinc/55/74/57/599557457.db2.gz DKKUBYDBURLDGO-IUODEOHRSA-N -1 3 352.398 3.465 20 0 FGADHM O=C(Nc1nccs1)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738210720 599563947 /nfs/dbraw/zinc/56/39/47/599563947.db2.gz UGDSBDINXXICOW-UHFFFAOYSA-N -1 3 363.406 3.319 20 0 FGADHM CCN(C(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1)C(C)C ZINC000736509167 599564607 /nfs/dbraw/zinc/56/46/07/599564607.db2.gz TZHBPZMZXSORRM-UHFFFAOYSA-N -1 3 350.426 3.481 20 0 FGADHM Cc1ccc(C)c(N(C)Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)c1 ZINC000822232287 599564984 /nfs/dbraw/zinc/56/49/84/599564984.db2.gz ZRWSOFJTPFTNLM-UHFFFAOYSA-N -1 3 361.409 3.170 20 0 FGADHM Cc1ccc(C)c(N(C)Cc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)c1 ZINC000822232287 599564986 /nfs/dbraw/zinc/56/49/86/599564986.db2.gz ZRWSOFJTPFTNLM-UHFFFAOYSA-N -1 3 361.409 3.170 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N[C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000738152060 599600763 /nfs/dbraw/zinc/60/07/63/599600763.db2.gz QPFHIAQPGSDAHQ-FUHWJXTLSA-N -1 3 362.437 3.400 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N[C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000738152060 599600765 /nfs/dbraw/zinc/60/07/65/599600765.db2.gz QPFHIAQPGSDAHQ-FUHWJXTLSA-N -1 3 362.437 3.400 20 0 FGADHM CC[C@@H](NC(=O)NCc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1F ZINC000736366309 599600880 /nfs/dbraw/zinc/60/08/80/599600880.db2.gz ZGEKDPGSORFKNU-MRXNPFEDSA-N -1 3 372.379 3.095 20 0 FGADHM CC[C@@H](NC(=O)NCc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1F ZINC000736366309 599600882 /nfs/dbraw/zinc/60/08/82/599600882.db2.gz ZGEKDPGSORFKNU-MRXNPFEDSA-N -1 3 372.379 3.095 20 0 FGADHM C[C@H]1c2c(F)cccc2CCN1C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736306022 599611323 /nfs/dbraw/zinc/61/13/23/599611323.db2.gz ZRVHNCDOGWJIKF-JTQLQIEISA-N -1 3 370.363 3.296 20 0 FGADHM C[C@H]1c2c(F)cccc2CCN1C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736306022 599611324 /nfs/dbraw/zinc/61/13/24/599611324.db2.gz ZRVHNCDOGWJIKF-JTQLQIEISA-N -1 3 370.363 3.296 20 0 FGADHM CC(C)CO[C@@H]1C[C@H](OC(=O)C=Cc2ccccc2-c2nnn[n-]2)C1(C)C ZINC000735839191 599619123 /nfs/dbraw/zinc/61/91/23/599619123.db2.gz MIWLRZMJBBAPAA-WMXNSBIJSA-N -1 3 370.453 3.263 20 0 FGADHM CC(C)CO[C@@H]1C[C@H](OC(=O)C=Cc2ccccc2-c2nn[n-]n2)C1(C)C ZINC000735839191 599619125 /nfs/dbraw/zinc/61/91/25/599619125.db2.gz MIWLRZMJBBAPAA-WMXNSBIJSA-N -1 3 370.453 3.263 20 0 FGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1)c1cccc(-c2cscn2)c1 ZINC000823431767 599623643 /nfs/dbraw/zinc/62/36/43/599623643.db2.gz VYPHPWHSVIUCAZ-UHFFFAOYSA-N -1 3 363.402 3.347 20 0 FGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1)c1cccc(-c2cscn2)c1 ZINC000823431767 599623644 /nfs/dbraw/zinc/62/36/44/599623644.db2.gz VYPHPWHSVIUCAZ-UHFFFAOYSA-N -1 3 363.402 3.347 20 0 FGADHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)[C@@H](C)c1cccc(F)c1 ZINC000820287536 599624529 /nfs/dbraw/zinc/62/45/29/599624529.db2.gz NGWLOZRFKXIKLU-OLZOCXBDSA-N -1 3 370.384 3.120 20 0 FGADHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)[C@@H](C)c1cccc(F)c1 ZINC000820287536 599624530 /nfs/dbraw/zinc/62/45/30/599624530.db2.gz NGWLOZRFKXIKLU-OLZOCXBDSA-N -1 3 370.384 3.120 20 0 FGADHM CO[C@H](C)CCOC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821673426 599626666 /nfs/dbraw/zinc/62/66/66/599626666.db2.gz AUNWOGPOWDJKOW-CYBMUJFWSA-N -1 3 367.409 3.192 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cccc(F)c1OCC ZINC000821412163 599630557 /nfs/dbraw/zinc/63/05/57/599630557.db2.gz IXRHSXLMPORWEV-UHFFFAOYSA-N -1 3 371.372 3.056 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cccc(F)c1OCC ZINC000821412163 599630558 /nfs/dbraw/zinc/63/05/58/599630558.db2.gz IXRHSXLMPORWEV-UHFFFAOYSA-N -1 3 371.372 3.056 20 0 FGADHM C[C@@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C(F)(F)F ZINC000819868437 599633375 /nfs/dbraw/zinc/63/33/75/599633375.db2.gz XZLDMULONXZXPE-YFKPBYRVSA-N -1 3 353.226 3.022 20 0 FGADHM C[C@@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C(F)(F)F ZINC000819868437 599633376 /nfs/dbraw/zinc/63/33/76/599633376.db2.gz XZLDMULONXZXPE-YFKPBYRVSA-N -1 3 353.226 3.022 20 0 FGADHM COc1ccc(OC(=O)c2sccc2-c2nnn[n-]2)c2ccccc12 ZINC000821839854 599634486 /nfs/dbraw/zinc/63/44/86/599634486.db2.gz ZRVFFTPJNIBMEI-UHFFFAOYSA-N -1 3 352.375 3.309 20 0 FGADHM Cc1cc(F)ccc1N(CCCCCO)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000822206066 599638996 /nfs/dbraw/zinc/63/89/96/599638996.db2.gz SOVILPBARZUVMW-UHFFFAOYSA-N -1 3 369.444 3.483 20 0 FGADHM Cc1cc(F)ccc1N(CCCCCO)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000822206066 599638997 /nfs/dbraw/zinc/63/89/97/599638997.db2.gz SOVILPBARZUVMW-UHFFFAOYSA-N -1 3 369.444 3.483 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cccc2cnccc21 ZINC000821104753 599648029 /nfs/dbraw/zinc/64/80/29/599648029.db2.gz PCKQGWHDJQASPX-UHFFFAOYSA-N -1 3 372.432 3.467 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cccc2cnccc21 ZINC000821104753 599648030 /nfs/dbraw/zinc/64/80/30/599648030.db2.gz PCKQGWHDJQASPX-UHFFFAOYSA-N -1 3 372.432 3.467 20 0 FGADHM O=C(c1cccc2cnccc21)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000823493534 599648244 /nfs/dbraw/zinc/64/82/44/599648244.db2.gz PTTOJAVISHRHPX-UHFFFAOYSA-N -1 3 370.416 3.220 20 0 FGADHM O=C(c1cccc2cnccc21)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000823493534 599648245 /nfs/dbraw/zinc/64/82/45/599648245.db2.gz PTTOJAVISHRHPX-UHFFFAOYSA-N -1 3 370.416 3.220 20 0 FGADHM CC[C@@H]1C[C@@H](C)CN1C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000820967655 599655938 /nfs/dbraw/zinc/65/59/38/599655938.db2.gz SCEMVFTZJLSSFP-GDBMZVCRSA-N -1 3 357.458 3.063 20 0 FGADHM CC[C@@H]1C[C@@H](C)CN1C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000820967655 599655939 /nfs/dbraw/zinc/65/59/39/599655939.db2.gz SCEMVFTZJLSSFP-GDBMZVCRSA-N -1 3 357.458 3.063 20 0 FGADHM CCCCCC[C@@H](C)C(=O)O[C@@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000821048671 599665073 /nfs/dbraw/zinc/66/50/73/599665073.db2.gz FNOZNXQDKBCHQC-KGLIPLIRSA-N -1 3 373.457 3.343 20 0 FGADHM CCCCCC[C@@H](C)C(=O)O[C@@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000821048671 599665074 /nfs/dbraw/zinc/66/50/74/599665074.db2.gz FNOZNXQDKBCHQC-KGLIPLIRSA-N -1 3 373.457 3.343 20 0 FGADHM C[C@@H](OC(=O)CCCC1CCCC1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000820494607 599670443 /nfs/dbraw/zinc/67/04/43/599670443.db2.gz BMZDSGPOIRFVIA-CYBMUJFWSA-N -1 3 371.441 3.097 20 0 FGADHM C[C@@H](OC(=O)CCCC1CCCC1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000820494607 599670444 /nfs/dbraw/zinc/67/04/44/599670444.db2.gz BMZDSGPOIRFVIA-CYBMUJFWSA-N -1 3 371.441 3.097 20 0 FGADHM CCC[C@@]1(C)CCCN(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000821026866 599674143 /nfs/dbraw/zinc/67/41/43/599674143.db2.gz FLYDUYRYMUHCBF-SFHVURJKSA-N -1 3 360.437 3.118 20 0 FGADHM CCC[C@@]1(C)CCCN(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000821026866 599674144 /nfs/dbraw/zinc/67/41/44/599674144.db2.gz FLYDUYRYMUHCBF-SFHVURJKSA-N -1 3 360.437 3.118 20 0 FGADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)N1CCC(C2CCCC2)CC1 ZINC000823234309 599679622 /nfs/dbraw/zinc/67/96/22/599679622.db2.gz LSEYFTZEOBLRPJ-UHFFFAOYSA-N -1 3 372.448 3.118 20 0 FGADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)N1CCC(C2CCCC2)CC1 ZINC000823234309 599679623 /nfs/dbraw/zinc/67/96/23/599679623.db2.gz LSEYFTZEOBLRPJ-UHFFFAOYSA-N -1 3 372.448 3.118 20 0 FGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCC(C1CC1)C1CC1 ZINC000820121635 599679895 /nfs/dbraw/zinc/67/98/95/599679895.db2.gz SSCINYXYFRXWID-UHFFFAOYSA-N -1 3 368.485 3.223 20 0 FGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCC(C1CC1)C1CC1 ZINC000820121635 599679896 /nfs/dbraw/zinc/67/98/96/599679896.db2.gz SSCINYXYFRXWID-UHFFFAOYSA-N -1 3 368.485 3.223 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCc1cc(Cl)nc(Cl)c1 ZINC000826252027 607389909 /nfs/dbraw/zinc/38/99/09/607389909.db2.gz LEBZGSSAXAOOQX-UHFFFAOYSA-N -1 3 364.192 3.234 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCc1cc(Cl)nc(Cl)c1 ZINC000826252027 607389910 /nfs/dbraw/zinc/38/99/10/607389910.db2.gz LEBZGSSAXAOOQX-UHFFFAOYSA-N -1 3 364.192 3.234 20 0 FGADHM Cc1[nH]c(C(=O)N[C@H](CN2CCCCC2)c2ccccc2)c(C)c1C(=O)[O-] ZINC000738156101 599742362 /nfs/dbraw/zinc/74/23/62/599742362.db2.gz PAKVTMHNMBAYQV-QGZVFWFLSA-N -1 3 369.465 3.287 20 0 FGADHM CN(C)CCN(Cc1ccccc1)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000737369003 599828575 /nfs/dbraw/zinc/82/85/75/599828575.db2.gz CIABXWVZVYGSMO-UHFFFAOYSA-N -1 3 369.465 3.300 20 0 FGADHM CC(C)Oc1ccc(NC(=O)c2cc(C(C)(C)C)on2)cc1-c1nnn[n-]1 ZINC000820169581 607402022 /nfs/dbraw/zinc/40/20/22/607402022.db2.gz JRFPZFHFLOJIQK-UHFFFAOYSA-N -1 3 370.413 3.192 20 0 FGADHM CC(C)Oc1ccc(NC(=O)c2cc(C(C)(C)C)on2)cc1-c1nn[n-]n1 ZINC000820169581 607402023 /nfs/dbraw/zinc/40/20/23/607402023.db2.gz JRFPZFHFLOJIQK-UHFFFAOYSA-N -1 3 370.413 3.192 20 0 FGADHM CC(C)Oc1ccc(NC(=O)[C@H]2CCc3ccccc32)cc1-c1nnn[n-]1 ZINC000820161603 607403125 /nfs/dbraw/zinc/40/31/25/607403125.db2.gz YBUZOKATDJOPLW-INIZCTEOSA-N -1 3 363.421 3.322 20 0 FGADHM CC(C)Oc1ccc(NC(=O)[C@H]2CCc3ccccc32)cc1-c1nn[n-]n1 ZINC000820161603 607403126 /nfs/dbraw/zinc/40/31/26/607403126.db2.gz YBUZOKATDJOPLW-INIZCTEOSA-N -1 3 363.421 3.322 20 0 FGADHM Cc1cccc2[nH]cc(CC(=O)OCc3ccc(-c4nnn[n-]4)cc3C)c21 ZINC000826253730 607403268 /nfs/dbraw/zinc/40/32/68/607403268.db2.gz ANYYKEUDULBWEZ-UHFFFAOYSA-N -1 3 361.405 3.251 20 0 FGADHM Cc1cccc2[nH]cc(CC(=O)OCc3ccc(-c4nn[n-]n4)cc3C)c21 ZINC000826253730 607403270 /nfs/dbraw/zinc/40/32/70/607403270.db2.gz ANYYKEUDULBWEZ-UHFFFAOYSA-N -1 3 361.405 3.251 20 0 FGADHM COc1cccc([C@@H](C)C(=O)OCc2ccc(-c3nnn[n-]3)cc2C)c1 ZINC000826214298 607404545 /nfs/dbraw/zinc/40/45/45/607404545.db2.gz HIIRYAYVSIFXTC-CYBMUJFWSA-N -1 3 352.394 3.031 20 0 FGADHM COc1cccc([C@@H](C)C(=O)OCc2ccc(-c3nn[n-]n3)cc2C)c1 ZINC000826214298 607404547 /nfs/dbraw/zinc/40/45/47/607404547.db2.gz HIIRYAYVSIFXTC-CYBMUJFWSA-N -1 3 352.394 3.031 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)[C@H](C)OC1CCCCCC1 ZINC000826252836 607406506 /nfs/dbraw/zinc/40/65/06/607406506.db2.gz UHOLWEAYWWRWOI-AWEZNQCLSA-N -1 3 358.442 3.346 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)[C@H](C)OC1CCCCCC1 ZINC000826252836 607406508 /nfs/dbraw/zinc/40/65/08/607406508.db2.gz UHOLWEAYWWRWOI-AWEZNQCLSA-N -1 3 358.442 3.346 20 0 FGADHM Cc1ccn(-c2ccc(C(=O)OCc3ccc(-c4nnn[n-]4)cc3C)cc2)n1 ZINC000826308686 607409139 /nfs/dbraw/zinc/40/91/39/607409139.db2.gz KZHJCRJUGBIDSX-UHFFFAOYSA-N -1 3 374.404 3.026 20 0 FGADHM Cc1ccn(-c2ccc(C(=O)OCc3ccc(-c4nn[n-]n4)cc3C)cc2)n1 ZINC000826308686 607409140 /nfs/dbraw/zinc/40/91/40/607409140.db2.gz KZHJCRJUGBIDSX-UHFFFAOYSA-N -1 3 374.404 3.026 20 0 FGADHM O=C([O-])[C@H](NC(=O)c1cccc(CN2CCCC2)c1)c1cc(F)ccc1F ZINC000739375231 599989442 /nfs/dbraw/zinc/98/94/42/599989442.db2.gz WXORJZPXVDPGAL-GOSISDBHSA-N -1 3 374.387 3.116 20 0 FGADHM O=C([O-])C1CCC(NCc2csc(-c3ccc4c(c3)OCO4)n2)CC1 ZINC000739563858 600008218 /nfs/dbraw/zinc/00/82/18/600008218.db2.gz YGTFLUUTSTUDDQ-UHFFFAOYSA-N -1 3 360.435 3.272 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)C(C)(C)c1ccc(C)cc1 ZINC000821736241 607416195 /nfs/dbraw/zinc/41/61/95/607416195.db2.gz HVFAZOKZMCVSPE-UHFFFAOYSA-N -1 3 366.421 3.205 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)C(C)(C)c1ccc(C)cc1 ZINC000821736241 607416197 /nfs/dbraw/zinc/41/61/97/607416197.db2.gz HVFAZOKZMCVSPE-UHFFFAOYSA-N -1 3 366.421 3.205 20 0 FGADHM O=C([O-])c1ccc(CCC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC000739256603 600063185 /nfs/dbraw/zinc/06/31/85/600063185.db2.gz PIXIJEJIBQEMMX-FQEVSTJZSA-N -1 3 366.461 3.098 20 0 FGADHM CCc1ccc([C@@H](C)C(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC000825705113 607417262 /nfs/dbraw/zinc/41/72/62/607417262.db2.gz WDZJOAMWDMCEOE-CQSZACIVSA-N -1 3 361.449 3.338 20 0 FGADHM CCc1ccc([C@@H](C)C(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000825705113 607417263 /nfs/dbraw/zinc/41/72/63/607417263.db2.gz WDZJOAMWDMCEOE-CQSZACIVSA-N -1 3 361.449 3.338 20 0 FGADHM CCC[C@H](NCC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-])c1ccccc1 ZINC000736971842 600077540 /nfs/dbraw/zinc/07/75/40/600077540.db2.gz DNAYRRCMWKBGDZ-VQTJNVASSA-N -1 3 366.461 3.156 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)[C@@H](C)c1cccc(C)c1 ZINC000821737591 607418334 /nfs/dbraw/zinc/41/83/34/607418334.db2.gz YPSUGTGKBARPLG-ZDUSSCGKSA-N -1 3 352.394 3.031 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)[C@@H](C)c1cccc(C)c1 ZINC000821737591 607418335 /nfs/dbraw/zinc/41/83/35/607418335.db2.gz YPSUGTGKBARPLG-ZDUSSCGKSA-N -1 3 352.394 3.031 20 0 FGADHM O=C(/C=C\Sc1ccccc1)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826400105 607419334 /nfs/dbraw/zinc/41/93/34/607419334.db2.gz PGYDLODIMMTWJT-XFXZXTDPSA-N -1 3 363.446 3.278 20 0 FGADHM O=C(/C=C\Sc1ccccc1)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826400105 607419336 /nfs/dbraw/zinc/41/93/36/607419336.db2.gz PGYDLODIMMTWJT-XFXZXTDPSA-N -1 3 363.446 3.278 20 0 FGADHM O=C(OCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)[C@H]1CCCCO1 ZINC000823418888 607422132 /nfs/dbraw/zinc/42/21/32/607422132.db2.gz YJZXQNQRMBSHQQ-GOSISDBHSA-N -1 3 364.405 3.146 20 0 FGADHM O=C(OCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)[C@H]1CCCCO1 ZINC000823418888 607422133 /nfs/dbraw/zinc/42/21/33/607422133.db2.gz YJZXQNQRMBSHQQ-GOSISDBHSA-N -1 3 364.405 3.146 20 0 FGADHM Cc1ccc([C@H](CNC(=O)c2cccc(CN3CCCC3)c2)C(=O)[O-])cc1 ZINC000738567676 600155912 /nfs/dbraw/zinc/15/59/12/600155912.db2.gz UGHTVAQSTJZYQN-FQEVSTJZSA-N -1 3 366.461 3.189 20 0 FGADHM CC1CCC(N2CCN(C(=O)Nc3ccc(F)c(C(=O)[O-])c3)CC2)CC1 ZINC000736769239 600182235 /nfs/dbraw/zinc/18/22/35/600182235.db2.gz PYTXPUKHEBLDID-UHFFFAOYSA-N -1 3 363.433 3.252 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@H](c1ccco1)c1ccccc1 ZINC000826246652 607430846 /nfs/dbraw/zinc/43/08/46/607430846.db2.gz INIYBVINELCUJT-SFHVURJKSA-N -1 3 359.389 3.288 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@H](c1ccco1)c1ccccc1 ZINC000826246652 607430848 /nfs/dbraw/zinc/43/08/48/607430848.db2.gz INIYBVINELCUJT-SFHVURJKSA-N -1 3 359.389 3.288 20 0 FGADHM CC(C)COc1ccc(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000824272384 607432467 /nfs/dbraw/zinc/43/24/67/607432467.db2.gz WTUANTKTUNSIRG-UHFFFAOYSA-N -1 3 351.410 3.178 20 0 FGADHM CC(C)COc1ccc(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000824272384 607432468 /nfs/dbraw/zinc/43/24/68/607432468.db2.gz WTUANTKTUNSIRG-UHFFFAOYSA-N -1 3 351.410 3.178 20 0 FGADHM COc1ccccc1C[C@@H](C)CC(=O)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826219671 607437584 /nfs/dbraw/zinc/43/75/84/607437584.db2.gz LYUADVTVAIFRHI-CQSZACIVSA-N -1 3 365.437 3.107 20 0 FGADHM COc1ccccc1C[C@@H](C)CC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826219671 607437586 /nfs/dbraw/zinc/43/75/86/607437586.db2.gz LYUADVTVAIFRHI-CQSZACIVSA-N -1 3 365.437 3.107 20 0 FGADHM C[C@H](CN(C)[C@H](C)C(=O)Nc1ccccc1Cc1ccccc1)C(=O)[O-] ZINC000736571583 600366071 /nfs/dbraw/zinc/36/60/71/600366071.db2.gz KSEQYKFZZRZVGY-HZPDHXFCSA-N -1 3 354.450 3.257 20 0 FGADHM C[C@@H](CNC(=O)Nc1ccc(N(C)C(=O)[O-])cc1)N(C)Cc1ccccc1 ZINC000736599576 600392162 /nfs/dbraw/zinc/39/21/62/600392162.db2.gz WWJLLKXZKRLTDM-HNNXBMFYSA-N -1 3 370.453 3.443 20 0 FGADHM COc1cccc([C@H](C)N2CCN([C@@H](C(=O)[O-])c3ccccc3)CC2)c1 ZINC000738092139 600405559 /nfs/dbraw/zinc/40/55/59/600405559.db2.gz NRHVQFISTBJEMF-OXJNMPFZSA-N -1 3 354.450 3.200 20 0 FGADHM O=C([O-])[C@@H](NCc1cccc(NC(=O)C2CCC2)c1)c1ccc(F)cc1 ZINC000739484065 600421676 /nfs/dbraw/zinc/42/16/76/600421676.db2.gz PAKNZIAQMHKOKH-SFHVURJKSA-N -1 3 356.397 3.480 20 0 FGADHM O=C([O-])Cc1csc(NC(=O)CN[C@@H](c2ccccc2)C2CCCC2)n1 ZINC000738632431 600433103 /nfs/dbraw/zinc/43/31/03/600433103.db2.gz UAMBLASUVSCDOK-SFHVURJKSA-N -1 3 373.478 3.230 20 0 FGADHM Cc1ccc([C@@H]2[C@@H](C)CCCN2CC(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC000652422256 600440580 /nfs/dbraw/zinc/44/05/80/600440580.db2.gz VQRAZOUZEBKHFV-JXFKEZNVSA-N -1 3 358.482 3.091 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)C=Cc1cncc(C)c1 ZINC000821118546 607445533 /nfs/dbraw/zinc/44/55/33/607445533.db2.gz OVSWVEWCCBHTQD-DAXSKMNVSA-N -1 3 363.425 3.044 20 0 FGADHM C[C@@H](NC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)C1CCCCC1 ZINC000824498368 607456790 /nfs/dbraw/zinc/45/67/90/607456790.db2.gz FTDLXFSVHRLFBF-CYBMUJFWSA-N -1 3 354.458 3.124 20 0 FGADHM C[C@@H](NC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1)C1CCCCC1 ZINC000824498368 607456791 /nfs/dbraw/zinc/45/67/91/607456791.db2.gz FTDLXFSVHRLFBF-CYBMUJFWSA-N -1 3 354.458 3.124 20 0 FGADHM CC1(C)CCCC[C@@H]1NC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000824802060 607460021 /nfs/dbraw/zinc/46/00/21/607460021.db2.gz KYXWTSJGKCVKCF-HNNXBMFYSA-N -1 3 354.458 3.124 20 0 FGADHM CC1(C)CCCC[C@@H]1NC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000824802060 607460022 /nfs/dbraw/zinc/46/00/22/607460022.db2.gz KYXWTSJGKCVKCF-HNNXBMFYSA-N -1 3 354.458 3.124 20 0 FGADHM O=C([O-])[C@H](OC(=O)C1CCN(Cc2ccccc2)CC1)c1ccccc1F ZINC000833351781 600683702 /nfs/dbraw/zinc/68/37/02/600683702.db2.gz UGFHDAYTALUNLH-LJQANCHMSA-N -1 3 371.408 3.407 20 0 FGADHM C[C@@H](CN(Cc1ccccc1)Cn1nccc1-c1ccncc1)C(=O)[O-] ZINC000736583588 600685623 /nfs/dbraw/zinc/68/56/23/600685623.db2.gz UGLXQNCDALNIHL-INIZCTEOSA-N -1 3 350.422 3.126 20 0 FGADHM C[C@H](CN(Cc1ccccc1)Cn1nccc1-c1ccncc1)C(=O)[O-] ZINC000736583591 600685887 /nfs/dbraw/zinc/68/58/87/600685887.db2.gz UGLXQNCDALNIHL-MRXNPFEDSA-N -1 3 350.422 3.126 20 0 FGADHM O=C(N[C@@H]1CC[C@H]2CCC[C@@H]2C1)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826429392 607459596 /nfs/dbraw/zinc/45/95/96/607459596.db2.gz BHBVWVJOZYIBQS-CKEIUWERSA-N -1 3 366.469 3.124 20 0 FGADHM O=C(N[C@@H]1CC[C@H]2CCC[C@@H]2C1)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826429392 607459597 /nfs/dbraw/zinc/45/95/97/607459597.db2.gz BHBVWVJOZYIBQS-CKEIUWERSA-N -1 3 366.469 3.124 20 0 FGADHM CC(C)C1CCC(NC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)CC1 ZINC000824214025 607459619 /nfs/dbraw/zinc/45/96/19/607459619.db2.gz DPPCPFMEWGJPOM-UHFFFAOYSA-N -1 3 368.485 3.370 20 0 FGADHM CC(C)C1CCC(NC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)CC1 ZINC000824214025 607459620 /nfs/dbraw/zinc/45/96/20/607459620.db2.gz DPPCPFMEWGJPOM-UHFFFAOYSA-N -1 3 368.485 3.370 20 0 FGADHM C[C@H]1CN(Cc2ccc(F)cc2C(=O)[O-])CC[C@H]1NC(=O)OC(C)(C)C ZINC000736812520 600715203 /nfs/dbraw/zinc/71/52/03/600715203.db2.gz BCFPWEGGHXKFLI-BLLLJJGKSA-N -1 3 366.433 3.259 20 0 FGADHM CC(C)c1ccc(C(=O)Nc2ncc3cc(-c4nnn[n-]4)ccc3n2)cc1 ZINC000824347663 607467450 /nfs/dbraw/zinc/46/74/50/607467450.db2.gz JNCZGHJVZAFVEE-UHFFFAOYSA-N -1 3 359.393 3.186 20 0 FGADHM CC(C)c1ccc(C(=O)Nc2ncc3cc(-c4nn[n-]n4)ccc3n2)cc1 ZINC000824347663 607467451 /nfs/dbraw/zinc/46/74/51/607467451.db2.gz JNCZGHJVZAFVEE-UHFFFAOYSA-N -1 3 359.393 3.186 20 0 FGADHM O[C@H](C[C@@H]1CCCN1c1cccc(F)c1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000823674086 607469036 /nfs/dbraw/zinc/46/90/36/607469036.db2.gz PZJWJMCTFLOQLO-WMLDXEAASA-N -1 3 371.391 3.237 20 0 FGADHM O[C@H](C[C@@H]1CCCN1c1cccc(F)c1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000823674086 607469038 /nfs/dbraw/zinc/46/90/38/607469038.db2.gz PZJWJMCTFLOQLO-WMLDXEAASA-N -1 3 371.391 3.237 20 0 FGADHM O=C([O-])c1ccc(OCCN2CCC(Cn3cccn3)CC2)c(Cl)c1 ZINC000833321006 600828462 /nfs/dbraw/zinc/82/84/62/600828462.db2.gz DUCDLQREEMIKKR-UHFFFAOYSA-N -1 3 363.845 3.026 20 0 FGADHM Cc1ccc([C@H](CNC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)N2CCCC2)cc1 ZINC000832920383 600916370 /nfs/dbraw/zinc/91/63/70/600916370.db2.gz BAKJSBITBZWCPN-QYZOEREBSA-N -1 3 358.482 3.139 20 0 FGADHM CCCC[C@H](C(=O)[O-])N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000829277303 600985524 /nfs/dbraw/zinc/98/55/24/600985524.db2.gz UHTZJVJSBOZTPV-OAHLLOKOSA-N -1 3 372.387 3.107 20 0 FGADHM Fc1cc(-c2nnn[n-]2)ccc1CN[C@H](c1ccccc1)c1cccnc1 ZINC000822740737 607479417 /nfs/dbraw/zinc/47/94/17/607479417.db2.gz MXKZPIYFROPMQV-LJQANCHMSA-N -1 3 360.396 3.280 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1CN[C@H](c1ccccc1)c1cccnc1 ZINC000822740737 607479419 /nfs/dbraw/zinc/47/94/19/607479419.db2.gz MXKZPIYFROPMQV-LJQANCHMSA-N -1 3 360.396 3.280 20 0 FGADHM Cc1sc(C(=O)[O-])cc1CN1CCC(NC(=O)C2CCCCC2)CC1 ZINC000833030898 601623330 /nfs/dbraw/zinc/62/33/30/601623330.db2.gz AONRCEQTQLQCKP-UHFFFAOYSA-N -1 3 364.511 3.416 20 0 FGADHM Cc1sc(C(=O)[O-])cc1CN1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000833031090 601642095 /nfs/dbraw/zinc/64/20/95/601642095.db2.gz DTGBRCPSZZVWJW-SMDDNHRTSA-N -1 3 368.499 3.490 20 0 FGADHM C[C@@H](C(=O)[O-])[C@H](NCC(=O)NCCc1ccc(Cl)cc1)c1ccccc1 ZINC000826055361 601651471 /nfs/dbraw/zinc/65/14/71/601651471.db2.gz ZHRNUIKCBDWMHX-KUHUBIRLSA-N -1 3 374.868 3.050 20 0 FGADHM Cc1ccccc1C[C@H](C)NC(=O)CN[C@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000832980764 601652937 /nfs/dbraw/zinc/65/29/37/601652937.db2.gz KWBVAEMFRCSIFD-FIKGOQFSSA-N -1 3 368.477 3.094 20 0 FGADHM CSc1ccc(NC(=O)CN[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])cc1 ZINC000832780974 601655023 /nfs/dbraw/zinc/65/50/23/601655023.db2.gz NHGYMSRQQVSILB-FZKQIMNGSA-N -1 3 358.463 3.399 20 0 FGADHM CCOc1ccc(NC(=O)CN[C@H](c2ccccc2)[C@H](C)C(=O)[O-])cc1 ZINC000830085372 601655712 /nfs/dbraw/zinc/65/57/12/601655712.db2.gz UZAZNEUCRYOBKC-LIRRHRJNSA-N -1 3 356.422 3.075 20 0 FGADHM Cc1cccc(C(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)c1C ZINC000832963473 601740862 /nfs/dbraw/zinc/74/08/62/601740862.db2.gz TUWOOFPOWUBGFV-QFIPXVFZSA-N -1 3 366.461 3.153 20 0 FGADHM O=C([O-])CCC1CCN(Cc2cccc(C(=O)N3CCCCC3)c2)CC1 ZINC000662219078 601841831 /nfs/dbraw/zinc/84/18/31/601841831.db2.gz ZCTRTDJLBOZICM-UHFFFAOYSA-N -1 3 358.482 3.390 20 0 FGADHM C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NCc2cccc(C(=O)[O-])c2)C1 ZINC000666520829 601856128 /nfs/dbraw/zinc/85/61/28/601856128.db2.gz LEDNVWHZQZEGKO-KXBFYZLASA-N -1 3 367.449 3.020 20 0 FGADHM Cc1ccc(C(=O)[O-])cc1NC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000397998302 601881738 /nfs/dbraw/zinc/88/17/38/601881738.db2.gz UPHPJZYUIPPNIU-CRAIPNDOSA-N -1 3 367.449 3.478 20 0 FGADHM CN(C[C@H](O)c1ccc(F)cc1)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830714375 601900675 /nfs/dbraw/zinc/90/06/75/601900675.db2.gz QHMSNODFVHWATI-HOCLYGCPSA-N -1 3 357.303 3.034 20 0 FGADHM CN(C)Cc1c2ccccc2oc1C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000678930868 601919158 /nfs/dbraw/zinc/91/91/58/601919158.db2.gz BMGLEVFBONLVMQ-UHFFFAOYSA-N -1 3 352.390 3.123 20 0 FGADHM C[C@H](CN1CCOCC1)N(Cc1ccc(C(=O)[O-])s1)Cc1ccccc1 ZINC000827460998 601950180 /nfs/dbraw/zinc/95/01/80/601950180.db2.gz JISUQDCODFADOD-MRXNPFEDSA-N -1 3 374.506 3.169 20 0 FGADHM COc1ccc(CSc2nnc(-c3cccs3)o2)cc1-c1nnn[n-]1 ZINC000826207735 607540697 /nfs/dbraw/zinc/54/06/97/607540697.db2.gz ATCJSVCTPJOFFS-UHFFFAOYSA-N -1 3 372.435 3.279 20 0 FGADHM COc1ccc(CSc2nnc(-c3cccs3)o2)cc1-c1nn[n-]n1 ZINC000826207735 607540699 /nfs/dbraw/zinc/54/06/99/607540699.db2.gz ATCJSVCTPJOFFS-UHFFFAOYSA-N -1 3 372.435 3.279 20 0 FGADHM COc1ccc(CNc2c(C)cccc2OC(F)F)cc1-c1nnn[n-]1 ZINC000826203196 607549199 /nfs/dbraw/zinc/54/91/99/607549199.db2.gz CJYLWFVOVQHPQI-UHFFFAOYSA-N -1 3 361.352 3.397 20 0 FGADHM COc1ccc(CNc2c(C)cccc2OC(F)F)cc1-c1nn[n-]n1 ZINC000826203196 607549200 /nfs/dbraw/zinc/54/92/00/607549200.db2.gz CJYLWFVOVQHPQI-UHFFFAOYSA-N -1 3 361.352 3.397 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1CNc1ccc2c(cnn2C(F)F)c1 ZINC000826184505 607553218 /nfs/dbraw/zinc/55/32/18/607553218.db2.gz ZOEZLNNBQAXTRE-UHFFFAOYSA-N -1 3 371.351 3.232 20 0 FGADHM C[C@H](NC(=O)[O-])[C@@H]1CCCCN1C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000738999561 602261166 /nfs/dbraw/zinc/26/11/66/602261166.db2.gz FLQWWALDPAVSRV-TUKIKUTGSA-N -1 3 360.376 3.249 20 0 FGADHM COc1cc(OC)c(OC)cc1CN(C/C=C(\C)C(=O)[O-])C(C)(C)C ZINC000832033806 602325343 /nfs/dbraw/zinc/32/53/43/602325343.db2.gz GQWXPODUURJUAQ-MDWZMJQESA-N -1 3 351.443 3.344 20 0 FGADHM O=C([O-])Nc1cc(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)ccc1F ZINC000740695625 602494098 /nfs/dbraw/zinc/49/40/98/602494098.db2.gz JPLAELFQEZCUIK-SFHVURJKSA-N -1 3 371.412 3.483 20 0 FGADHM Cc1sc(NC(=O)c2cc(F)c(F)cc2F)c(-c2nnn[n-]2)c1C ZINC000826349929 607575327 /nfs/dbraw/zinc/57/53/27/607575327.db2.gz ZXIFWLBEWQQLTD-UHFFFAOYSA-N -1 3 353.329 3.215 20 0 FGADHM Cc1sc(NC(=O)c2cc(F)c(F)cc2F)c(-c2nn[n-]n2)c1C ZINC000826349929 607575329 /nfs/dbraw/zinc/57/53/29/607575329.db2.gz ZXIFWLBEWQQLTD-UHFFFAOYSA-N -1 3 353.329 3.215 20 0 FGADHM Cc1nn(Cc2ccc(Cl)cc2)c(C)c1CN[C@H]1CCN(C(=O)[O-])C1 ZINC000740253400 602810687 /nfs/dbraw/zinc/81/06/87/602810687.db2.gz PYPQQDYAOXKZED-INIZCTEOSA-N -1 3 362.861 3.044 20 0 FGADHM COc1ccc(COC(=O)C=C(C)c2ccccc2)cc1-c1nnn[n-]1 ZINC000826205523 607602685 /nfs/dbraw/zinc/60/26/85/607602685.db2.gz ZHJZLZUEMLOUTD-JLHYYAGUSA-N -1 3 350.378 3.022 20 0 FGADHM COc1ccc(COC(=O)C=C(C)c2ccccc2)cc1-c1nn[n-]n1 ZINC000826205523 607602686 /nfs/dbraw/zinc/60/26/86/607602686.db2.gz ZHJZLZUEMLOUTD-JLHYYAGUSA-N -1 3 350.378 3.022 20 0 FGADHM CC(C)[C@](C)(CNC(=O)[O-])NCC(=O)Nc1cccc(Cl)c1Cl ZINC000738773705 603078612 /nfs/dbraw/zinc/07/86/12/603078612.db2.gz UZPCUWPRFUHWHR-HNNXBMFYSA-N -1 3 362.257 3.204 20 0 FGADHM COc1cc2c(c(CNC[C@H](NC(=O)[O-])c3ccccc3)c1)O[C@@H](C)C2 ZINC000829124976 603175069 /nfs/dbraw/zinc/17/50/69/603175069.db2.gz OGPBNVLHZOEFQN-UGSOOPFHSA-N -1 3 356.422 3.117 20 0 FGADHM O=C([O-])N[C@@H](CNCc1cnn(-c2ccc(F)cc2)c1)c1ccccc1 ZINC000832141250 603178365 /nfs/dbraw/zinc/17/83/65/603178365.db2.gz RJOYNSXXOUKQCG-SFHVURJKSA-N -1 3 354.385 3.110 20 0 FGADHM COc1ccc(CNC(=O)Nc2ccc(Cl)cc2C)cc1-c1nnn[n-]1 ZINC000826200149 607615558 /nfs/dbraw/zinc/61/55/58/607615558.db2.gz AINUPGGJVIFDQX-UHFFFAOYSA-N -1 3 372.816 3.159 20 0 FGADHM COc1ccc(CNC(=O)Nc2ccc(Cl)cc2C)cc1-c1nn[n-]n1 ZINC000826200149 607615560 /nfs/dbraw/zinc/61/55/60/607615560.db2.gz AINUPGGJVIFDQX-UHFFFAOYSA-N -1 3 372.816 3.159 20 0 FGADHM CCc1ncsc1NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000825755334 607621298 /nfs/dbraw/zinc/62/12/98/607621298.db2.gz UHPCJMIFRJOWAK-UHFFFAOYSA-N -1 3 371.470 3.328 20 0 FGADHM CCc1ncsc1NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000825755334 607621299 /nfs/dbraw/zinc/62/12/99/607621299.db2.gz UHPCJMIFRJOWAK-UHFFFAOYSA-N -1 3 371.470 3.328 20 0 FGADHM CN(C(=O)[O-])[C@@H]1CCCN(CCc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000739582150 603411063 /nfs/dbraw/zinc/41/10/63/603411063.db2.gz ASINKOKHHPUFRK-CQSZACIVSA-N -1 3 364.833 3.007 20 0 FGADHM O=C([O-])Nc1ccc(CNC[C@@H](O)c2ccc(Cl)cc2Cl)cn1 ZINC000832842153 603553625 /nfs/dbraw/zinc/55/36/25/603553625.db2.gz OWOOINQEEOUDJI-CYBMUJFWSA-N -1 3 356.209 3.302 20 0 FGADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)Nc1cccc2ccc(O)cc21 ZINC000826408333 607639594 /nfs/dbraw/zinc/63/95/94/607639594.db2.gz BCEDGPXYVMMZDE-UHFFFAOYSA-N -1 3 359.389 3.297 20 0 FGADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)Nc1cccc2ccc(O)cc21 ZINC000826408333 607639595 /nfs/dbraw/zinc/63/95/95/607639595.db2.gz BCEDGPXYVMMZDE-UHFFFAOYSA-N -1 3 359.389 3.297 20 0 FGADHM CC(C)[C@@H](O)C(C)(C)CNc1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000824199693 607819663 /nfs/dbraw/zinc/81/96/63/607819663.db2.gz LMQGLWHIRKKUME-CYBMUJFWSA-N -1 3 357.380 3.341 20 0 FGADHM CC(C)[C@@H](O)C(C)(C)CNc1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000824199693 607819664 /nfs/dbraw/zinc/81/96/64/607819664.db2.gz LMQGLWHIRKKUME-CYBMUJFWSA-N -1 3 357.380 3.341 20 0 FGADHM C[C@H](NC(=O)[O-])C1CCN(Cc2cccc(SC(=O)N(C)C)c2)CC1 ZINC000825288962 603733656 /nfs/dbraw/zinc/73/36/56/603733656.db2.gz TYDLSQIHANYUAY-ZDUSSCGKSA-N -1 3 365.499 3.328 20 0 FGADHM COc1ccc([C@H](NC(=O)c2ccc(-c3nn[n-]n3)cc2C)C(C)C)cc1 ZINC000826189184 607652620 /nfs/dbraw/zinc/65/26/20/607652620.db2.gz PBBORXKRRUHYQI-GOSISDBHSA-N -1 3 365.437 3.311 20 0 FGADHM CN(CC(=O)N(C)[C@@H]1CCCc2ccccc21)C1CCC(NC(=O)[O-])CC1 ZINC000828086652 603788118 /nfs/dbraw/zinc/78/81/18/603788118.db2.gz XQCJQYBBWNQGKY-FAFZWHIHSA-N -1 3 373.497 3.033 20 0 FGADHM COc1ccc([C@H](NC(=O)c2ccc(-c3nnn[n-]3)cc2C)C(C)C)cc1 ZINC000826189184 607652618 /nfs/dbraw/zinc/65/26/18/607652618.db2.gz PBBORXKRRUHYQI-GOSISDBHSA-N -1 3 365.437 3.311 20 0 FGADHM Cc1ncc(-c2ccc(NC(=O)c3ccc(-c4nnn[n-]4)cc3C)cc2)o1 ZINC000826329530 607657018 /nfs/dbraw/zinc/65/70/18/607657018.db2.gz HHZAJRIPPBTCJQ-UHFFFAOYSA-N -1 3 360.377 3.391 20 0 FGADHM Cc1ncc(-c2ccc(NC(=O)c3ccc(-c4nn[n-]n4)cc3C)cc2)o1 ZINC000826329530 607657020 /nfs/dbraw/zinc/65/70/20/607657020.db2.gz HHZAJRIPPBTCJQ-UHFFFAOYSA-N -1 3 360.377 3.391 20 0 FGADHM O=C(CSc1c(F)cc(F)cc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000826420296 607658999 /nfs/dbraw/zinc/65/89/99/607658999.db2.gz GZTHTVJGOFOYLF-UHFFFAOYSA-N -1 3 350.325 3.259 20 0 FGADHM O=C(CSc1c(F)cc(F)cc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000826420296 607659001 /nfs/dbraw/zinc/65/90/01/607659001.db2.gz GZTHTVJGOFOYLF-UHFFFAOYSA-N -1 3 350.325 3.259 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1-c1nc(Cc2ccc(Cl)cc2)no1 ZINC000826243628 607660210 /nfs/dbraw/zinc/66/02/10/607660210.db2.gz OZUWKPIMFFNYOY-UHFFFAOYSA-N -1 3 352.785 3.469 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1-c1nc(Cc2ccc(Cl)cc2)no1 ZINC000826243628 607660211 /nfs/dbraw/zinc/66/02/11/607660211.db2.gz OZUWKPIMFFNYOY-UHFFFAOYSA-N -1 3 352.785 3.469 20 0 FGADHM Cc1ccsc1CCCC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826316534 607660923 /nfs/dbraw/zinc/66/09/23/607660923.db2.gz RFIOCQYROSICEK-ZDUSSCGKSA-N -1 3 355.467 3.437 20 0 FGADHM Cc1ccsc1CCCC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826316534 607660926 /nfs/dbraw/zinc/66/09/26/607660926.db2.gz RFIOCQYROSICEK-ZDUSSCGKSA-N -1 3 355.467 3.437 20 0 FGADHM CN(C)CCN(C(=O)CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-])C1CCCCC1 ZINC000828023870 604005972 /nfs/dbraw/zinc/00/59/72/604005972.db2.gz HBNLDCKITHQYBS-ZNXRZULTSA-N -1 3 365.518 3.020 20 0 FGADHM C[C@H]1C[C@H](NC(=O)Cc2ccc(NC(=O)[O-])cc2)CN1Cc1ccccc1 ZINC000825794670 604006145 /nfs/dbraw/zinc/00/61/45/604006145.db2.gz NYLZBECVDPYURH-KXBFYZLASA-N -1 3 367.449 3.098 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccc(N(C)C(C)C)c(F)c1 ZINC000826250011 607667162 /nfs/dbraw/zinc/66/71/62/607667162.db2.gz GAWGKSJKBSPTQW-UHFFFAOYSA-N -1 3 368.416 3.411 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccc(N(C)C(C)C)c(F)c1 ZINC000826250011 607667163 /nfs/dbraw/zinc/66/71/63/607667163.db2.gz GAWGKSJKBSPTQW-UHFFFAOYSA-N -1 3 368.416 3.411 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1c(F)cccc1N1CCCC1 ZINC000826249411 607681062 /nfs/dbraw/zinc/68/10/62/607681062.db2.gz BJRLLYHDFFFALR-UHFFFAOYSA-N -1 3 366.400 3.167 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1c(F)cccc1N1CCCC1 ZINC000826249411 607681064 /nfs/dbraw/zinc/68/10/64/607681064.db2.gz BJRLLYHDFFFALR-UHFFFAOYSA-N -1 3 366.400 3.167 20 0 FGADHM Cc1c([C@H](C)NC2CCN(C(=O)[O-])CC2)nnn1-c1ccc(Cl)cc1 ZINC000829858941 604262283 /nfs/dbraw/zinc/26/22/83/604262283.db2.gz GPBGTJWHSVYKJV-NSHDSACASA-N -1 3 363.849 3.022 20 0 FGADHM Cc1c([C@@H](C)NC2CCC(NC(=O)[O-])CC2)nnn1-c1ccc(C)cc1 ZINC000830171822 604353949 /nfs/dbraw/zinc/35/39/49/604353949.db2.gz YUNPNRXVQLMXAP-IUDNXUCKSA-N -1 3 357.458 3.114 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCSC[C@H]1c1ccccc1 ZINC000826245774 607692412 /nfs/dbraw/zinc/69/24/12/607692412.db2.gz HTSWVUCVAGHILX-KRWDZBQOSA-N -1 3 365.462 3.105 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCSC[C@H]1c1ccccc1 ZINC000826245774 607692414 /nfs/dbraw/zinc/69/24/14/607692414.db2.gz HTSWVUCVAGHILX-KRWDZBQOSA-N -1 3 365.462 3.105 20 0 FGADHM CC1(C)C[C@H]1C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000824796182 607696142 /nfs/dbraw/zinc/69/61/42/607696142.db2.gz MZKROQOJCLSHBJ-AWEZNQCLSA-N -1 3 350.382 3.039 20 0 FGADHM CC1(C)C[C@H]1C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000824796182 607696143 /nfs/dbraw/zinc/69/61/43/607696143.db2.gz MZKROQOJCLSHBJ-AWEZNQCLSA-N -1 3 350.382 3.039 20 0 FGADHM CCN(C(=O)c1ccc(Cl)nc1C)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825386169 607705506 /nfs/dbraw/zinc/70/55/06/607705506.db2.gz ZRWWIBPPEPMHJD-GFCCVEGCSA-N -1 3 370.844 3.447 20 0 FGADHM CCN(C(=O)c1ccc(Cl)nc1C)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825386169 607705507 /nfs/dbraw/zinc/70/55/07/607705507.db2.gz ZRWWIBPPEPMHJD-GFCCVEGCSA-N -1 3 370.844 3.447 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccn([C@H](C)c2ccccc2)n1 ZINC000826250524 607706022 /nfs/dbraw/zinc/70/60/22/607706022.db2.gz FONWKVFUNTVXLU-CQSZACIVSA-N -1 3 373.420 3.233 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccn([C@H](C)c2ccccc2)n1 ZINC000826250524 607706024 /nfs/dbraw/zinc/70/60/24/607706024.db2.gz FONWKVFUNTVXLU-CQSZACIVSA-N -1 3 373.420 3.233 20 0 FGADHM CC(C)CN(CCC(=O)[O-])Cc1nc(-c2cc(F)c(F)c(F)c2)no1 ZINC000826875514 604670789 /nfs/dbraw/zinc/67/07/89/604670789.db2.gz AJSYJWOIQDXJCY-UHFFFAOYSA-N -1 3 357.332 3.087 20 0 FGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)OCCCCC(F)(F)F ZINC000826421201 607707496 /nfs/dbraw/zinc/70/74/96/607707496.db2.gz WLLJZXXIEMYBOQ-UHFFFAOYSA-N -1 3 360.361 3.235 20 0 FGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)OCCCCC(F)(F)F ZINC000826421201 607707498 /nfs/dbraw/zinc/70/74/98/607707498.db2.gz WLLJZXXIEMYBOQ-UHFFFAOYSA-N -1 3 360.361 3.235 20 0 FGADHM Fc1cccc(F)c1-c1nc(CSc2cc(-c3nnn[n-]3)ccn2)co1 ZINC000826377379 607712515 /nfs/dbraw/zinc/71/25/15/607712515.db2.gz PADAAYHTOYMIJQ-UHFFFAOYSA-N -1 3 372.360 3.487 20 0 FGADHM Fc1cccc(F)c1-c1nc(CSc2cc(-c3nn[n-]n3)ccn2)co1 ZINC000826377379 607712517 /nfs/dbraw/zinc/71/25/17/607712517.db2.gz PADAAYHTOYMIJQ-UHFFFAOYSA-N -1 3 372.360 3.487 20 0 FGADHM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000679102947 604882372 /nfs/dbraw/zinc/88/23/72/604882372.db2.gz LIOXODSUHKWKJN-ROUUACIJSA-N -1 3 358.482 3.000 20 0 FGADHM COc1ccc(C)cc1NC(=O)[C@@H](C)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000833731242 604930368 /nfs/dbraw/zinc/93/03/68/604930368.db2.gz XLEWKJYBWXXMFR-HUUCEWRRSA-N -1 3 362.470 3.153 20 0 FGADHM CC(C)(C(=O)[O-])[C@H]1CCC[N@H+](Cc2nc3c4ccccc4oc3c(=O)[n-]2)C1 ZINC000833418911 604937602 /nfs/dbraw/zinc/93/76/02/604937602.db2.gz CMVUQKGTOIJVEB-LBPRGKRZSA-N -1 3 369.421 3.404 20 0 FGADHM CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](Cc2nc3c4ccccc4oc3c(=O)[n-]2)C1 ZINC000833418911 604937604 /nfs/dbraw/zinc/93/76/04/604937604.db2.gz CMVUQKGTOIJVEB-LBPRGKRZSA-N -1 3 369.421 3.404 20 0 FGADHM CC(C)(C(=O)[O-])[C@H]1CCCN([C@H]2CCN(c3cccc(Cl)c3)C2=O)C1 ZINC000833417828 604942423 /nfs/dbraw/zinc/94/24/23/604942423.db2.gz YUZLTWIQUQUZCY-BBRMVZONSA-N -1 3 364.873 3.268 20 0 FGADHM C[C@H](NCc1ccc(CCNC(=O)[O-])cc1)c1ccc2c(c1)CCC(=O)N2 ZINC000825503952 604942943 /nfs/dbraw/zinc/94/29/43/604942943.db2.gz ZRMDHFVVHOPCQK-AWEZNQCLSA-N -1 3 367.449 3.232 20 0 FGADHM CCSc1ccc(CC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000825675202 607724291 /nfs/dbraw/zinc/72/42/91/607724291.db2.gz ZPVOATPTCPXQAR-UHFFFAOYSA-N -1 3 357.414 3.299 20 0 FGADHM CCSc1ccc(CC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000825675202 607724294 /nfs/dbraw/zinc/72/42/94/607724294.db2.gz ZPVOATPTCPXQAR-UHFFFAOYSA-N -1 3 357.414 3.299 20 0 FGADHM Cc1ccc(-c2nc(NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)sc2C)s1 ZINC000826273758 607725616 /nfs/dbraw/zinc/72/56/16/607725616.db2.gz SKHZIVAODSOOEQ-UHFFFAOYSA-N -1 3 371.451 3.249 20 0 FGADHM Cc1ccc(-c2nc(NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)sc2C)s1 ZINC000826273758 607725617 /nfs/dbraw/zinc/72/56/17/607725617.db2.gz SKHZIVAODSOOEQ-UHFFFAOYSA-N -1 3 371.451 3.249 20 0 FGADHM C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1Cc1ccsc1C(=O)[O-] ZINC000833595851 604970109 /nfs/dbraw/zinc/97/01/09/604970109.db2.gz ANYQPAWMPXQYQS-AAEUAGOBSA-N -1 3 354.472 3.324 20 0 FGADHM C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1Cc1ccsc1C(=O)[O-] ZINC000833595854 604970426 /nfs/dbraw/zinc/97/04/26/604970426.db2.gz ANYQPAWMPXQYQS-YPMHNXCESA-N -1 3 354.472 3.324 20 0 FGADHM C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1Cc1ccc(F)cc1C(=O)[O-] ZINC000833599395 604972782 /nfs/dbraw/zinc/97/27/82/604972782.db2.gz DTUHJQUFPSENQB-SWLSCSKDSA-N -1 3 366.433 3.402 20 0 FGADHM CCN1C[C@@H](CN(C)Cc2ccccc2CC(=O)[O-])Oc2ccccc21 ZINC000833656585 605062950 /nfs/dbraw/zinc/06/29/50/605062950.db2.gz KABWTCPTMSPGOZ-GOSISDBHSA-N -1 3 354.450 3.033 20 0 FGADHM C[C@@]1(NCc2nc(-c3ccc(F)c(F)c3)no2)CCCC[C@@H]1C(=O)[O-] ZINC000833569206 605069162 /nfs/dbraw/zinc/06/91/62/605069162.db2.gz KFAIYRBUYGUXNP-PIGZYNQJSA-N -1 3 351.353 3.138 20 0 FGADHM C[C@@H](C[C@H](O)c1cccs1)Nc1nc2ccccc2cc1-c1nnn[n-]1 ZINC000824394895 607733437 /nfs/dbraw/zinc/73/34/37/607733437.db2.gz ZRMMVHMTMPXLOH-NHYWBVRUSA-N -1 3 366.450 3.401 20 0 FGADHM C[C@@H](C[C@H](O)c1cccs1)Nc1nc2ccccc2cc1-c1nn[n-]n1 ZINC000824394895 607733438 /nfs/dbraw/zinc/73/34/38/607733438.db2.gz ZRMMVHMTMPXLOH-NHYWBVRUSA-N -1 3 366.450 3.401 20 0 FGADHM CC[C@H](NCc1ccc(C(=O)[O-])o1)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000833643760 605121471 /nfs/dbraw/zinc/12/14/71/605121471.db2.gz GLKLRJOSJQLBOV-FUHWJXTLSA-N -1 3 354.410 3.036 20 0 FGADHM CCN1C[C@H](C)N(Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)C[C@H]1C ZINC000833658555 605146248 /nfs/dbraw/zinc/14/62/48/605146248.db2.gz SXEIMNLMVFVCLO-KGLIPLIRSA-N -1 3 359.495 3.423 20 0 FGADHM COc1ccc(C)cc1NC(=O)CN[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000833730704 605183763 /nfs/dbraw/zinc/18/37/63/605183763.db2.gz MVUZQDUKEIUYDT-IBGZPJMESA-N -1 3 370.449 3.384 20 0 FGADHM Cn1ccnc1[C@H]1CCN([C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)C1 ZINC000833761138 605220137 /nfs/dbraw/zinc/22/01/37/605220137.db2.gz YHSBBTYYZDBWHO-IINYFYTJSA-N -1 3 354.237 3.342 20 0 FGADHM CC1=C(C(=O)[O-])C[C@@H](CN2CCC(c3nc(-c4ccccc4)no3)CC2)O1 ZINC000833582805 605332436 /nfs/dbraw/zinc/33/24/36/605332436.db2.gz FLFZFMKEHBNOMS-INIZCTEOSA-N -1 3 369.421 3.064 20 0 FGADHM Cc1cccc([C@@H]2CC(=O)N(CN3CCC[C@H](C(C)(C)C(=O)[O-])C3)C2)c1 ZINC000833752356 605346860 /nfs/dbraw/zinc/34/68/60/605346860.db2.gz HVYYIJSLLNBRFR-MSOLQXFVSA-N -1 3 358.482 3.091 20 0 FGADHM C[C@@H]1CC[C@@H](NC(=O)NCc2cccc(-c3nnn[n-]3)c2)c2ccccc21 ZINC000824915553 607756894 /nfs/dbraw/zinc/75/68/94/607756894.db2.gz GGPDMHCDLPSOCZ-FZKQIMNGSA-N -1 3 362.437 3.305 20 0 FGADHM C[C@@H]1CC[C@@H](NC(=O)NCc2cccc(-c3nn[n-]n3)c2)c2ccccc21 ZINC000824915553 607756895 /nfs/dbraw/zinc/75/68/95/607756895.db2.gz GGPDMHCDLPSOCZ-FZKQIMNGSA-N -1 3 362.437 3.305 20 0 FGADHM O=C([O-])N1CCC[C@@H]1[C@@H]1CCCN(Cc2ccc(N3CCCC3)nc2)C1 ZINC000834104114 605467752 /nfs/dbraw/zinc/46/77/52/605467752.db2.gz CRHIGDGNSSVGRI-QZTJIDSGSA-N -1 3 358.486 3.036 20 0 FGADHM CCCCCNC(=O)C1CCN(Cc2cccc3c2N(C(=O)[O-])CC3)CC1 ZINC000833854250 605478814 /nfs/dbraw/zinc/47/88/14/605478814.db2.gz WRINELPKAKBTLD-UHFFFAOYSA-N -1 3 373.497 3.246 20 0 FGADHM CCCN(CC(=O)Nc1ccc(F)cc1Cl)C1CCN(C(=O)[O-])CC1 ZINC000826902793 605483331 /nfs/dbraw/zinc/48/33/31/605483331.db2.gz FVUXTERRFCFQCZ-UHFFFAOYSA-N -1 3 371.840 3.272 20 0 FGADHM CC(C)[C@H](N[C@H](C)C[C@@H]1CCCN1C(=O)[O-])c1nc(-c2cccnc2)no1 ZINC000824769052 605497519 /nfs/dbraw/zinc/49/75/19/605497519.db2.gz RSIVVAHZRRKJNA-KBMXLJTQSA-N -1 3 373.457 3.339 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NCCOc1ccccc1Cl ZINC000826278337 607762931 /nfs/dbraw/zinc/76/29/31/607762931.db2.gz YKCPFJBGHQLFEU-UHFFFAOYSA-N -1 3 372.816 3.029 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NCCOc1ccccc1Cl ZINC000826278337 607762932 /nfs/dbraw/zinc/76/29/32/607762932.db2.gz YKCPFJBGHQLFEU-UHFFFAOYSA-N -1 3 372.816 3.029 20 0 FGADHM O=C([O-])NC[C@H]1CCN(CC2=Cc3cc(Cl)cc(Cl)c3OC2)C1 ZINC000834223592 605571979 /nfs/dbraw/zinc/57/19/79/605571979.db2.gz CGMCBTFBWYCREB-SNVBAGLBSA-N -1 3 357.237 3.359 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)N1CC[C@H]1c1cccc(F)c1 ZINC000826453868 607764613 /nfs/dbraw/zinc/76/46/13/607764613.db2.gz BWCULDWPIYSKSO-HNNXBMFYSA-N -1 3 356.336 3.124 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)N1CC[C@H]1c1cccc(F)c1 ZINC000826453868 607764614 /nfs/dbraw/zinc/76/46/14/607764614.db2.gz BWCULDWPIYSKSO-HNNXBMFYSA-N -1 3 356.336 3.124 20 0 FGADHM Cc1nn(Cc2ccccc2)c(C)c1CN1CCC[C@@H]([C@@H](C)NC(=O)[O-])C1 ZINC000833921025 605598784 /nfs/dbraw/zinc/59/87/84/605598784.db2.gz QABXUBJPOYVRAS-DNVCBOLYSA-N -1 3 370.497 3.416 20 0 FGADHM COc1ccc(CN(C)C)cc1NC(=O)c1ccc(NC(=O)[O-])c(C)c1 ZINC000829363927 605610126 /nfs/dbraw/zinc/61/01/26/605610126.db2.gz ZMXWZSWSFSTXTN-UHFFFAOYSA-N -1 3 357.410 3.407 20 0 FGADHM O=C(Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)[C@H]1Cc2ccccc21 ZINC000826459246 607769176 /nfs/dbraw/zinc/76/91/76/607769176.db2.gz BLKZAKGUHDLKQU-HNNXBMFYSA-N -1 3 374.429 3.269 20 0 FGADHM O=C(Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)[C@H]1Cc2ccccc21 ZINC000826459246 607769177 /nfs/dbraw/zinc/76/91/77/607769177.db2.gz BLKZAKGUHDLKQU-HNNXBMFYSA-N -1 3 374.429 3.269 20 0 FGADHM Cc1cc(C(=O)Nc2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)c(C)o1 ZINC000826261009 607769622 /nfs/dbraw/zinc/76/96/22/607769622.db2.gz NMPODCANTATXED-UHFFFAOYSA-N -1 3 366.406 3.452 20 0 FGADHM Cc1cc(C(=O)Nc2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)c(C)o1 ZINC000826261009 607769623 /nfs/dbraw/zinc/76/96/23/607769623.db2.gz NMPODCANTATXED-UHFFFAOYSA-N -1 3 366.406 3.452 20 0 FGADHM C[C@@H]1CN(C[C@@H]2CCCN2Cc2cc(C(=O)[O-])ccc2Cl)C[C@H](C)O1 ZINC000833626668 605832991 /nfs/dbraw/zinc/83/29/91/605832991.db2.gz ORLWAGIYOPXKBJ-VBQJREDUSA-N -1 3 366.889 3.112 20 0 FGADHM C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1Cc1cc(C(=O)[O-])ccc1F ZINC000833597563 605844431 /nfs/dbraw/zinc/84/44/31/605844431.db2.gz SVRRATYXEBJBJV-QWHCGFSZSA-N -1 3 366.433 3.259 20 0 FGADHM CCc1oc(C(=O)OC)cc1CSc1ccc(-c2nnn[n-]2)cc1F ZINC000821563876 606019255 /nfs/dbraw/zinc/01/92/55/606019255.db2.gz JUOQDUNBYZHGQV-UHFFFAOYSA-N -1 3 362.386 3.240 20 0 FGADHM CCc1oc(C(=O)OC)cc1CSc1ccc(-c2nn[n-]n2)cc1F ZINC000821563876 606019258 /nfs/dbraw/zinc/01/92/58/606019258.db2.gz JUOQDUNBYZHGQV-UHFFFAOYSA-N -1 3 362.386 3.240 20 0 FGADHM Cc1nc2ccccc2n1CCNc1nc2ccccc2cc1-c1nnn[n-]1 ZINC000822463072 606031136 /nfs/dbraw/zinc/03/11/36/606031136.db2.gz OZFXPRGZYCLPQP-UHFFFAOYSA-N -1 3 370.420 3.185 20 0 FGADHM Cc1nc2ccccc2n1CCNc1nc2ccccc2cc1-c1nn[n-]n1 ZINC000822463072 606031139 /nfs/dbraw/zinc/03/11/39/606031139.db2.gz OZFXPRGZYCLPQP-UHFFFAOYSA-N -1 3 370.420 3.185 20 0 FGADHM O[C@H](CNc1nc2ccccc2cc1-c1nnn[n-]1)c1ccc(Cl)cc1 ZINC000823690440 606036142 /nfs/dbraw/zinc/03/61/42/606036142.db2.gz ORMZNLTVBSVTHU-MRXNPFEDSA-N -1 3 366.812 3.214 20 0 FGADHM O[C@H](CNc1nc2ccccc2cc1-c1nn[n-]n1)c1ccc(Cl)cc1 ZINC000823690440 606036148 /nfs/dbraw/zinc/03/61/48/606036148.db2.gz ORMZNLTVBSVTHU-MRXNPFEDSA-N -1 3 366.812 3.214 20 0 FGADHM Clc1ccc(C2(CNc3ccc(-c4nnn[n-]4)nc3)CCOCC2)cc1 ZINC000822573990 606056922 /nfs/dbraw/zinc/05/69/22/606056922.db2.gz MNSXATDFTQWHHS-UHFFFAOYSA-N -1 3 370.844 3.075 20 0 FGADHM Clc1ccc(C2(CNc3ccc(-c4nn[n-]n4)nc3)CCOCC2)cc1 ZINC000822573990 606056927 /nfs/dbraw/zinc/05/69/27/606056927.db2.gz MNSXATDFTQWHHS-UHFFFAOYSA-N -1 3 370.844 3.075 20 0 FGADHM COc1ccc(CNc2ccc(-c3nnn[n-]3)nc2)cc1OC1CCCC1 ZINC000821821482 606069439 /nfs/dbraw/zinc/06/94/39/606069439.db2.gz HWEJHHLTWYFYPD-UHFFFAOYSA-N -1 3 366.425 3.204 20 0 FGADHM COc1ccc(CNc2ccc(-c3nn[n-]n3)nc2)cc1OC1CCCC1 ZINC000821821482 606069442 /nfs/dbraw/zinc/06/94/42/606069442.db2.gz HWEJHHLTWYFYPD-UHFFFAOYSA-N -1 3 366.425 3.204 20 0 FGADHM O[C@]1(CNc2nc3ccccc3cc2-c2nnn[n-]2)CCCc2ccccc21 ZINC000823700088 606080699 /nfs/dbraw/zinc/08/06/99/606080699.db2.gz ZTLTYHVKXBGKGU-NRFANRHFSA-N -1 3 372.432 3.051 20 0 FGADHM O[C@]1(CNc2nc3ccccc3cc2-c2nn[n-]n2)CCCc2ccccc21 ZINC000823700088 606080705 /nfs/dbraw/zinc/08/07/05/606080705.db2.gz ZTLTYHVKXBGKGU-NRFANRHFSA-N -1 3 372.432 3.051 20 0 FGADHM O=C(OCc1cccc(OC(F)(F)F)c1)c1sccc1-c1nnn[n-]1 ZINC000823430147 606107287 /nfs/dbraw/zinc/10/72/87/606107287.db2.gz FFYSSIWFTNYECD-UHFFFAOYSA-N -1 3 370.312 3.184 20 0 FGADHM C[C@@H]1CCN(C(=O)Cc2ccc(-c3nnn[n-]3)cc2)[C@H]1c1cccc(F)c1 ZINC000820717760 606109536 /nfs/dbraw/zinc/10/95/36/606109536.db2.gz VXHAWDDWWGHGHP-BFUOFWGJSA-N -1 3 365.412 3.158 20 0 FGADHM C[C@@H]1CCN(C(=O)Cc2ccc(-c3nn[n-]n3)cc2)[C@H]1c1cccc(F)c1 ZINC000820717760 606109538 /nfs/dbraw/zinc/10/95/38/606109538.db2.gz VXHAWDDWWGHGHP-BFUOFWGJSA-N -1 3 365.412 3.158 20 0 FGADHM C[C@H]1CCN(C(=O)Cc2ccc(-c3nnn[n-]3)cc2)[C@H]1c1cccc(F)c1 ZINC000820717762 606109577 /nfs/dbraw/zinc/10/95/77/606109577.db2.gz VXHAWDDWWGHGHP-ORAYPTAESA-N -1 3 365.412 3.158 20 0 FGADHM C[C@H]1CCN(C(=O)Cc2ccc(-c3nn[n-]n3)cc2)[C@H]1c1cccc(F)c1 ZINC000820717762 606109579 /nfs/dbraw/zinc/10/95/79/606109579.db2.gz VXHAWDDWWGHGHP-ORAYPTAESA-N -1 3 365.412 3.158 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H](C)[C@H](C)c1ccccc1 ZINC000821761627 606120856 /nfs/dbraw/zinc/12/08/56/606120856.db2.gz CNPKISOSUSXNBZ-STQMWFEESA-N -1 3 366.425 3.189 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@H](C)[C@H](C)c1ccccc1 ZINC000821761627 606120857 /nfs/dbraw/zinc/12/08/57/606120857.db2.gz CNPKISOSUSXNBZ-STQMWFEESA-N -1 3 366.425 3.189 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C1CC(OCc2ccccc2)C1 ZINC000822216148 606122398 /nfs/dbraw/zinc/12/23/98/606122398.db2.gz GMQIMDCASUNTTJ-UHFFFAOYSA-N -1 3 363.421 3.109 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C1CC(OCc2ccccc2)C1 ZINC000822216148 606122400 /nfs/dbraw/zinc/12/24/00/606122400.db2.gz GMQIMDCASUNTTJ-UHFFFAOYSA-N -1 3 363.421 3.109 20 0 FGADHM c1ccc2c(c1)CCC[C@@H]2OCCCNc1ccc(-c2nnn[n-]2)nc1 ZINC000823796708 606125596 /nfs/dbraw/zinc/12/55/96/606125596.db2.gz DYKPTCXCEFJBQB-SFHVURJKSA-N -1 3 350.426 3.158 20 0 FGADHM c1ccc2c(c1)CCC[C@@H]2OCCCNc1ccc(-c2nn[n-]n2)nc1 ZINC000823796708 606125597 /nfs/dbraw/zinc/12/55/97/606125597.db2.gz DYKPTCXCEFJBQB-SFHVURJKSA-N -1 3 350.426 3.158 20 0 FGADHM CC[C@H](Oc1ccccc1C)C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000820938025 606126022 /nfs/dbraw/zinc/12/60/22/606126022.db2.gz GSIGLVPFPIUNQM-INIZCTEOSA-N -1 3 369.400 3.135 20 0 FGADHM CC[C@H](Oc1ccccc1C)C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000820938025 606126024 /nfs/dbraw/zinc/12/60/24/606126024.db2.gz GSIGLVPFPIUNQM-INIZCTEOSA-N -1 3 369.400 3.135 20 0 FGADHM CC(C)(C)c1ncsc1C(=O)OCc1ccc(-c2nnn[n-]2)cc1F ZINC000819971027 606130420 /nfs/dbraw/zinc/13/04/20/606130420.db2.gz BHUIHODYCDDCQM-UHFFFAOYSA-N -1 3 361.402 3.117 20 0 FGADHM CC(C)(C)c1ncsc1C(=O)OCc1ccc(-c2nn[n-]n2)cc1F ZINC000819971027 606130422 /nfs/dbraw/zinc/13/04/22/606130422.db2.gz BHUIHODYCDDCQM-UHFFFAOYSA-N -1 3 361.402 3.117 20 0 FGADHM CCS[C@@H]1CCCC[C@@H]1NC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000821456325 606130824 /nfs/dbraw/zinc/13/08/24/606130824.db2.gz OZRGWEYCIUFMMN-JKSUJKDBSA-N -1 3 374.514 3.072 20 0 FGADHM CCS[C@@H]1CCCC[C@@H]1NC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000821456325 606130826 /nfs/dbraw/zinc/13/08/26/606130826.db2.gz OZRGWEYCIUFMMN-JKSUJKDBSA-N -1 3 374.514 3.072 20 0 FGADHM COc1cc(F)c([C@@H](C)OC(=O)c2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000821719604 606131206 /nfs/dbraw/zinc/13/12/06/606131206.db2.gz FZMWPBGCMXVXOP-SECBINFHSA-N -1 3 360.320 3.072 20 0 FGADHM COc1cc(F)c([C@@H](C)OC(=O)c2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000821719604 606131208 /nfs/dbraw/zinc/13/12/08/606131208.db2.gz FZMWPBGCMXVXOP-SECBINFHSA-N -1 3 360.320 3.072 20 0 FGADHM Cc1ccccc1[C@@H](CO)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000822350613 606139145 /nfs/dbraw/zinc/13/91/45/606139145.db2.gz FCJDQENHXBYLCI-OAHLLOKOSA-N -1 3 363.343 3.339 20 0 FGADHM Cc1ccccc1[C@@H](CO)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000822350613 606139147 /nfs/dbraw/zinc/13/91/47/606139147.db2.gz FCJDQENHXBYLCI-OAHLLOKOSA-N -1 3 363.343 3.339 20 0 FGADHM COC[C@@H](Cc1ccccc1)Nc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000821683259 606141259 /nfs/dbraw/zinc/14/12/59/606141259.db2.gz ZPMDBEIIVJFBCH-OAHLLOKOSA-N -1 3 360.421 3.085 20 0 FGADHM COC[C@@H](Cc1ccccc1)Nc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000821683259 606141260 /nfs/dbraw/zinc/14/12/60/606141260.db2.gz ZPMDBEIIVJFBCH-OAHLLOKOSA-N -1 3 360.421 3.085 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)OCc1ccc(C(F)(F)F)cc1 ZINC000823112354 606142958 /nfs/dbraw/zinc/14/29/58/606142958.db2.gz YBPNLCSHQPAOIB-UHFFFAOYSA-N -1 3 362.311 3.171 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)OCc1ccc(C(F)(F)F)cc1 ZINC000823112354 606142960 /nfs/dbraw/zinc/14/29/60/606142960.db2.gz YBPNLCSHQPAOIB-UHFFFAOYSA-N -1 3 362.311 3.171 20 0 FGADHM CCO[C@H](CCNc1nc2c(cc1-c1nnn[n-]1)CCC2)C1CCCC1 ZINC000821352187 606143632 /nfs/dbraw/zinc/14/36/32/606143632.db2.gz YYUSDGBSOIEQIZ-QGZVFWFLSA-N -1 3 356.474 3.148 20 0 FGADHM CCO[C@H](CCNc1nc2c(cc1-c1nn[n-]n1)CCC2)C1CCCC1 ZINC000821352187 606143634 /nfs/dbraw/zinc/14/36/34/606143634.db2.gz YYUSDGBSOIEQIZ-QGZVFWFLSA-N -1 3 356.474 3.148 20 0 FGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cccc2[nH]ccc21 ZINC000820121251 606150520 /nfs/dbraw/zinc/15/05/20/606150520.db2.gz NZRSOOIDYSLDPM-UHFFFAOYSA-N -1 3 360.421 3.399 20 0 FGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cccc2[nH]ccc21 ZINC000820121251 606150522 /nfs/dbraw/zinc/15/05/22/606150522.db2.gz NZRSOOIDYSLDPM-UHFFFAOYSA-N -1 3 360.421 3.399 20 0 FGADHM C[C@H](OC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1nc2ccccc2n1C ZINC000820487492 606169051 /nfs/dbraw/zinc/16/90/51/606169051.db2.gz HIPOVEKDWPUXTC-HHQWOOOKSA-N -1 3 374.404 3.071 20 0 FGADHM C[C@H](OC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1nc2ccccc2n1C ZINC000820487492 606169052 /nfs/dbraw/zinc/16/90/52/606169052.db2.gz HIPOVEKDWPUXTC-HHQWOOOKSA-N -1 3 374.404 3.071 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CO[C@@H]1CCCC[C@H]1C ZINC000821123727 606192901 /nfs/dbraw/zinc/19/29/01/606192901.db2.gz WLMRVIDNMBHKSX-CXAGYDPISA-N -1 3 372.473 3.222 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CO[C@H]1CCCC[C@@H]1C ZINC000821123729 606193152 /nfs/dbraw/zinc/19/31/52/606193152.db2.gz WLMRVIDNMBHKSX-GUYCJALGSA-N -1 3 372.473 3.222 20 0 FGADHM CC(C)(NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccc(F)c(F)c1 ZINC000819988207 606193636 /nfs/dbraw/zinc/19/36/36/606193636.db2.gz UHQCGRYPZLVHBY-YFHOEESVSA-N -1 3 369.375 3.210 20 0 FGADHM CC(C)(NC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ccc(F)c(F)c1 ZINC000819988207 606193638 /nfs/dbraw/zinc/19/36/38/606193638.db2.gz UHQCGRYPZLVHBY-YFHOEESVSA-N -1 3 369.375 3.210 20 0 FGADHM S=C(Nc1ccccc1-c1nnn[n-]1)N1CCSC2(CCCCC2)C1 ZINC000823732657 606197693 /nfs/dbraw/zinc/19/76/93/606197693.db2.gz NNFZXLZXXXFJIB-UHFFFAOYSA-N -1 3 374.539 3.315 20 0 FGADHM S=C(Nc1ccccc1-c1nn[n-]n1)N1CCSC2(CCCCC2)C1 ZINC000823732657 606197694 /nfs/dbraw/zinc/19/76/94/606197694.db2.gz NNFZXLZXXXFJIB-UHFFFAOYSA-N -1 3 374.539 3.315 20 0 FGADHM c1csc([C@@H](NCc2cc(-c3nnn[n-]3)cs2)c2ccccc2)n1 ZINC000823774074 606216374 /nfs/dbraw/zinc/21/63/74/606216374.db2.gz YXECXOYGHACCLK-AWEZNQCLSA-N -1 3 354.464 3.264 20 0 FGADHM c1csc([C@@H](NCc2cc(-c3nn[n-]n3)cs2)c2ccccc2)n1 ZINC000823774074 606216375 /nfs/dbraw/zinc/21/63/75/606216375.db2.gz YXECXOYGHACCLK-AWEZNQCLSA-N -1 3 354.464 3.264 20 0 FGADHM c1sc(CNc2cccc(OC[C@H]3CCCO3)c2)cc1-c1nnn[n-]1 ZINC000823756732 606220627 /nfs/dbraw/zinc/22/06/27/606220627.db2.gz GKLSRNMIVMJJNL-OAHLLOKOSA-N -1 3 357.439 3.098 20 0 FGADHM c1sc(CNc2cccc(OC[C@H]3CCCO3)c2)cc1-c1nn[n-]n1 ZINC000823756732 606220629 /nfs/dbraw/zinc/22/06/29/606220629.db2.gz GKLSRNMIVMJJNL-OAHLLOKOSA-N -1 3 357.439 3.098 20 0 FGADHM Cn1c(CCCNc2ccc(Cl)cc2-c2nnn[n-]2)nc2ccccc21 ZINC000822596691 606223432 /nfs/dbraw/zinc/22/34/32/606223432.db2.gz PWVWGOGQNYJGDR-UHFFFAOYSA-N -1 3 367.844 3.452 20 0 FGADHM Cn1c(CCCNc2ccc(Cl)cc2-c2nn[n-]n2)nc2ccccc21 ZINC000822596691 606223434 /nfs/dbraw/zinc/22/34/34/606223434.db2.gz PWVWGOGQNYJGDR-UHFFFAOYSA-N -1 3 367.844 3.452 20 0 FGADHM Oc1cccc2c1CC[C@H]2Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000823731919 606240594 /nfs/dbraw/zinc/24/05/94/606240594.db2.gz HGVHVYJNVPIUOT-LLVKDONJSA-N -1 3 362.315 3.086 20 0 FGADHM Oc1cccc2c1CC[C@H]2Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000823731919 606240595 /nfs/dbraw/zinc/24/05/95/606240595.db2.gz HGVHVYJNVPIUOT-LLVKDONJSA-N -1 3 362.315 3.086 20 0 FGADHM CC(C)c1ccccc1N[C@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O ZINC000820198442 606243348 /nfs/dbraw/zinc/24/33/48/606243348.db2.gz VWVHADLWYCRSJQ-HNNXBMFYSA-N -1 3 368.466 3.269 20 0 FGADHM CC(C)c1ccccc1N[C@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O ZINC000820198442 606243349 /nfs/dbraw/zinc/24/33/49/606243349.db2.gz VWVHADLWYCRSJQ-HNNXBMFYSA-N -1 3 368.466 3.269 20 0 FGADHM C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000820563650 606252188 /nfs/dbraw/zinc/25/21/88/606252188.db2.gz SQPAUCUHSPOTKO-QMMMGPOBSA-N -1 3 365.224 3.335 20 0 FGADHM C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000820563650 606252189 /nfs/dbraw/zinc/25/21/89/606252189.db2.gz SQPAUCUHSPOTKO-QMMMGPOBSA-N -1 3 365.224 3.335 20 0 FGADHM C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)cn1C)c1cccc(Cl)c1Cl ZINC000820384340 606254494 /nfs/dbraw/zinc/25/44/94/606254494.db2.gz BTKZZTHZAXZYBL-MRVPVSSYSA-N -1 3 365.224 3.003 20 0 FGADHM C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)cn1C)c1cccc(Cl)c1Cl ZINC000820384340 606254496 /nfs/dbraw/zinc/25/44/96/606254496.db2.gz BTKZZTHZAXZYBL-MRVPVSSYSA-N -1 3 365.224 3.003 20 0 FGADHM O=C(CCc1cc(Cl)cs1)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000822974334 606263725 /nfs/dbraw/zinc/26/37/25/606263725.db2.gz HRQNKCYXSAVOGW-UHFFFAOYSA-N -1 3 351.794 3.292 20 0 FGADHM O=C(CCc1cc(Cl)cs1)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000822974334 606263726 /nfs/dbraw/zinc/26/37/26/606263726.db2.gz HRQNKCYXSAVOGW-UHFFFAOYSA-N -1 3 351.794 3.292 20 0 FGADHM O=C(COc1cccc2ccccc21)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000823050389 606263815 /nfs/dbraw/zinc/26/38/15/606263815.db2.gz XOSHNEGCDXPYKZ-UHFFFAOYSA-N -1 3 363.352 3.177 20 0 FGADHM O=C(COc1cccc2ccccc21)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000823050389 606263816 /nfs/dbraw/zinc/26/38/16/606263816.db2.gz XOSHNEGCDXPYKZ-UHFFFAOYSA-N -1 3 363.352 3.177 20 0 FGADHM O=C(COc1ccc2ccccc2c1)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000823040031 606263992 /nfs/dbraw/zinc/26/39/92/606263992.db2.gz BCENOQZMFSULKU-UHFFFAOYSA-N -1 3 363.352 3.177 20 0 FGADHM O=C(COc1ccc2ccccc2c1)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000823040031 606263994 /nfs/dbraw/zinc/26/39/94/606263994.db2.gz BCENOQZMFSULKU-UHFFFAOYSA-N -1 3 363.352 3.177 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000823343801 606269074 /nfs/dbraw/zinc/26/90/74/606269074.db2.gz HPZVCZXTVSWXJM-MNOVXSKESA-N -1 3 359.311 3.026 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000823343801 606269075 /nfs/dbraw/zinc/26/90/75/606269075.db2.gz HPZVCZXTVSWXJM-MNOVXSKESA-N -1 3 359.311 3.026 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000823343996 606273653 /nfs/dbraw/zinc/27/36/53/606273653.db2.gz NHJFBGPEMDNUSJ-RKDXNWHRSA-N -1 3 357.311 3.313 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000823343996 606273655 /nfs/dbraw/zinc/27/36/55/606273655.db2.gz NHJFBGPEMDNUSJ-RKDXNWHRSA-N -1 3 357.311 3.313 20 0 FGADHM COC(=O)[C@H](N[C@H](C)c1cccc(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000821640790 606298396 /nfs/dbraw/zinc/29/83/96/606298396.db2.gz OUYHFCSYTYOFGI-BDJLRTHQSA-N -1 3 371.828 3.085 20 0 FGADHM COC(=O)[C@H](N[C@H](C)c1cccc(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000821640790 606298397 /nfs/dbraw/zinc/29/83/97/606298397.db2.gz OUYHFCSYTYOFGI-BDJLRTHQSA-N -1 3 371.828 3.085 20 0 FGADHM Cc1ccc(S[C@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)cc1C ZINC000822267458 606310618 /nfs/dbraw/zinc/31/06/18/606310618.db2.gz ULXHUKXUUTWPBV-AWEZNQCLSA-N -1 3 371.491 3.443 20 0 FGADHM Cc1ccc(S[C@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)cc1C ZINC000822267458 606310619 /nfs/dbraw/zinc/31/06/19/606310619.db2.gz ULXHUKXUUTWPBV-AWEZNQCLSA-N -1 3 371.491 3.443 20 0 FGADHM O=C(Nc1ccccc1N1CCc2ccccc21)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823372622 606314609 /nfs/dbraw/zinc/31/46/09/606314609.db2.gz HXNOXTUASAQVTF-UHFFFAOYSA-N -1 3 371.404 3.141 20 0 FGADHM O=C(Nc1ccccc1N1CCc2ccccc21)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823372622 606314611 /nfs/dbraw/zinc/31/46/11/606314611.db2.gz HXNOXTUASAQVTF-UHFFFAOYSA-N -1 3 371.404 3.141 20 0 FGADHM O=C(CSc1cccc(-c2nnn[n-]2)c1)N1CCC[C@@H]2CCCC[C@H]21 ZINC000823070602 606325005 /nfs/dbraw/zinc/32/50/05/606325005.db2.gz GWNQMZOEQFAXLX-XJKSGUPXSA-N -1 3 357.483 3.140 20 0 FGADHM O=C(CSc1cccc(-c2nn[n-]n2)c1)N1CCC[C@@H]2CCCC[C@H]21 ZINC000823070602 606325007 /nfs/dbraw/zinc/32/50/07/606325007.db2.gz GWNQMZOEQFAXLX-XJKSGUPXSA-N -1 3 357.483 3.140 20 0 FGADHM C[C@@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccc(F)c(F)c1 ZINC000820556611 606325391 /nfs/dbraw/zinc/32/53/91/606325391.db2.gz UWZNFEUQMVBCBI-SECBINFHSA-N -1 3 361.377 3.264 20 0 FGADHM C[C@@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccc(F)c(F)c1 ZINC000820556611 606325393 /nfs/dbraw/zinc/32/53/93/606325393.db2.gz UWZNFEUQMVBCBI-SECBINFHSA-N -1 3 361.377 3.264 20 0 FGADHM COc1ccc(-c2nc(CSc3cccc(-c4nnn[n-]4)c3)no2)cc1 ZINC000821732193 606328945 /nfs/dbraw/zinc/32/89/45/606328945.db2.gz LKHVBFCPHKCGJP-UHFFFAOYSA-N -1 3 366.406 3.218 20 0 FGADHM COc1ccc(-c2nc(CSc3cccc(-c4nn[n-]n4)c3)no2)cc1 ZINC000821732193 606328948 /nfs/dbraw/zinc/32/89/48/606328948.db2.gz LKHVBFCPHKCGJP-UHFFFAOYSA-N -1 3 366.406 3.218 20 0 FGADHM C[C@@H](OCc1ccccc1)C(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820518613 606340806 /nfs/dbraw/zinc/34/08/06/606340806.db2.gz HPJONXJXISTGHZ-ZIAGYGMSSA-N -1 3 352.394 3.076 20 0 FGADHM C[C@@H](OCc1ccccc1)C(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820518613 606340807 /nfs/dbraw/zinc/34/08/07/606340807.db2.gz HPJONXJXISTGHZ-ZIAGYGMSSA-N -1 3 352.394 3.076 20 0 FGADHM C[C@@H](OC(=O)[C@H](C)OCc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820518611 606340850 /nfs/dbraw/zinc/34/08/50/606340850.db2.gz HPJONXJXISTGHZ-KGLIPLIRSA-N -1 3 352.394 3.076 20 0 FGADHM C[C@@H](OC(=O)[C@H](C)OCc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820518611 606340852 /nfs/dbraw/zinc/34/08/52/606340852.db2.gz HPJONXJXISTGHZ-KGLIPLIRSA-N -1 3 352.394 3.076 20 0 FGADHM C[C@@H](OC(=O)c1ccc(C(F)(F)F)cn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820512440 606342938 /nfs/dbraw/zinc/34/29/38/606342938.db2.gz KMBSQAOQSYAGLO-SECBINFHSA-N -1 3 363.299 3.199 20 0 FGADHM C[C@@H](OC(=O)c1ccc(C(F)(F)F)cn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820512440 606342940 /nfs/dbraw/zinc/34/29/40/606342940.db2.gz KMBSQAOQSYAGLO-SECBINFHSA-N -1 3 363.299 3.199 20 0 FGADHM CCc1ccc(OCC(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821487122 606351624 /nfs/dbraw/zinc/35/16/24/606351624.db2.gz RONKAWQDKBQCGM-ZDUSSCGKSA-N -1 3 352.394 3.112 20 0 FGADHM CCc1ccc(OCC(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821487122 606351626 /nfs/dbraw/zinc/35/16/26/606351626.db2.gz RONKAWQDKBQCGM-ZDUSSCGKSA-N -1 3 352.394 3.112 20 0 FGADHM C[C@@H](Oc1cccc(F)c1)C(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820533033 606353090 /nfs/dbraw/zinc/35/30/90/606353090.db2.gz BEBPLBAJHIWPFL-NWDGAFQWSA-N -1 3 356.357 3.078 20 0 FGADHM C[C@@H](Oc1cccc(F)c1)C(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820533033 606353092 /nfs/dbraw/zinc/35/30/92/606353092.db2.gz BEBPLBAJHIWPFL-NWDGAFQWSA-N -1 3 356.357 3.078 20 0 FGADHM C[C@@H](OC(=O)c1cc(F)c(F)c(F)c1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000820508564 606358170 /nfs/dbraw/zinc/35/81/70/606358170.db2.gz RQLILDCKBDXOKQ-SSDOTTSWSA-N -1 3 366.274 3.341 20 0 FGADHM C[C@@H](OC(=O)c1cc(F)c(F)c(F)c1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000820508564 606358172 /nfs/dbraw/zinc/35/81/72/606358172.db2.gz RQLILDCKBDXOKQ-SSDOTTSWSA-N -1 3 366.274 3.341 20 0 FGADHM Cc1cc(C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)c(F)cc1F ZINC000822175980 606372753 /nfs/dbraw/zinc/37/27/53/606372753.db2.gz CUUVLYWRGCVCPK-UHFFFAOYSA-N -1 3 360.368 3.262 20 0 FGADHM Cc1cc(C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)c(F)cc1F ZINC000822175980 606372755 /nfs/dbraw/zinc/37/27/55/606372755.db2.gz CUUVLYWRGCVCPK-UHFFFAOYSA-N -1 3 360.368 3.262 20 0 FGADHM CN(C(=O)Cc1ccc(Cl)cc1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821570700 606412876 /nfs/dbraw/zinc/41/28/76/606412876.db2.gz HNCIZZPJBCCETG-UHFFFAOYSA-N -1 3 362.220 3.379 20 0 FGADHM CN(C(=O)Cc1ccc(Cl)cc1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821570700 606412877 /nfs/dbraw/zinc/41/28/77/606412877.db2.gz HNCIZZPJBCCETG-UHFFFAOYSA-N -1 3 362.220 3.379 20 0 FGADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)cn1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000820456005 606419429 /nfs/dbraw/zinc/41/94/29/606419429.db2.gz PAUIURDGTOHMON-XLKFXECMSA-N -1 3 365.224 3.103 20 0 FGADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cn1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000820456005 606419431 /nfs/dbraw/zinc/41/94/31/606419431.db2.gz PAUIURDGTOHMON-XLKFXECMSA-N -1 3 365.224 3.103 20 0 FGADHM c1cc(-c2nnn[n-]2)sc1CNc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000823763053 606421334 /nfs/dbraw/zinc/42/13/34/606421334.db2.gz YFAAAZDXXFGEDN-AWEZNQCLSA-N -1 3 357.439 3.098 20 0 FGADHM C[C@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1c(F)cccc1Cl ZINC000820365190 606439811 /nfs/dbraw/zinc/43/98/11/606439811.db2.gz IEANWQSAEYAHPU-JTQLQIEISA-N -1 3 374.807 3.220 20 0 FGADHM C[C@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1c(F)cccc1Cl ZINC000820365190 606439813 /nfs/dbraw/zinc/43/98/13/606439813.db2.gz IEANWQSAEYAHPU-JTQLQIEISA-N -1 3 374.807 3.220 20 0 FGADHM CCNC(=O)c1ccc(Cl)cc1NCc1cc(-c2nnn[n-]2)ccc1F ZINC000821292513 606448163 /nfs/dbraw/zinc/44/81/63/606448163.db2.gz BRYTXOOFJJOVCL-UHFFFAOYSA-N -1 3 374.807 3.021 20 0 FGADHM CCNC(=O)c1ccc(Cl)cc1NCc1cc(-c2nn[n-]n2)ccc1F ZINC000821292513 606448165 /nfs/dbraw/zinc/44/81/65/606448165.db2.gz BRYTXOOFJJOVCL-UHFFFAOYSA-N -1 3 374.807 3.021 20 0 FGADHM CC(=O)Nc1ccc(Cl)c(NCc2cc(-c3nnn[n-]3)ccc2F)c1 ZINC000819817431 606454671 /nfs/dbraw/zinc/45/46/71/606454671.db2.gz GJCUFSWGENNRJW-UHFFFAOYSA-N -1 3 360.780 3.230 20 0 FGADHM CC(=O)Nc1ccc(Cl)c(NCc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC000819817431 606454673 /nfs/dbraw/zinc/45/46/73/606454673.db2.gz GJCUFSWGENNRJW-UHFFFAOYSA-N -1 3 360.780 3.230 20 0 FGADHM COc1ccc(NCc2cccc(-c3nnn[n-]3)c2)c(Br)c1 ZINC000821835497 606455593 /nfs/dbraw/zinc/45/55/93/606455593.db2.gz LTOFDFANKWFMAX-UHFFFAOYSA-N -1 3 360.215 3.250 20 0 FGADHM COc1ccc(NCc2cccc(-c3nn[n-]n3)c2)c(Br)c1 ZINC000821835497 606455594 /nfs/dbraw/zinc/45/55/94/606455594.db2.gz LTOFDFANKWFMAX-UHFFFAOYSA-N -1 3 360.215 3.250 20 0 FGADHM COc1ccc(OC(=O)c2cc(-c3nnn[n-]3)cs2)c2ccccc12 ZINC000821837586 606468991 /nfs/dbraw/zinc/46/89/91/606468991.db2.gz DVNSYQVRCBBKQM-UHFFFAOYSA-N -1 3 352.375 3.309 20 0 FGADHM COc1ccc(OC(=O)c2cc(-c3nn[n-]n3)cs2)c2ccccc12 ZINC000821837586 606468992 /nfs/dbraw/zinc/46/89/92/606468992.db2.gz DVNSYQVRCBBKQM-UHFFFAOYSA-N -1 3 352.375 3.309 20 0 FGADHM O=C(NCCc1ccc(Cl)cc1Cl)c1cc(-c2nnn[n-]2)cs1 ZINC000823219754 606477369 /nfs/dbraw/zinc/47/73/69/606477369.db2.gz PDQQOQAMNZXKHO-UHFFFAOYSA-N -1 3 368.249 3.208 20 0 FGADHM O=C(NCCc1ccc(Cl)cc1Cl)c1cc(-c2nn[n-]n2)cs1 ZINC000823219754 606477370 /nfs/dbraw/zinc/47/73/70/606477370.db2.gz PDQQOQAMNZXKHO-UHFFFAOYSA-N -1 3 368.249 3.208 20 0 FGADHM Cc1cc(Br)ccc1NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000822161074 606480861 /nfs/dbraw/zinc/48/08/61/606480861.db2.gz OFXQBWNVUXGKOU-UHFFFAOYSA-N -1 3 364.228 3.251 20 0 FGADHM Cc1cc(Br)ccc1NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000822161074 606480863 /nfs/dbraw/zinc/48/08/63/606480863.db2.gz OFXQBWNVUXGKOU-UHFFFAOYSA-N -1 3 364.228 3.251 20 0 FGADHM O=C(Nc1ccc(Cl)c2cccnc12)c1cc(-c2nnn[n-]2)cs1 ZINC000823331635 606487726 /nfs/dbraw/zinc/48/77/26/606487726.db2.gz GGSGAMHPKLEPDZ-UHFFFAOYSA-N -1 3 356.798 3.382 20 0 FGADHM O=C(Nc1ccc(Cl)c2cccnc12)c1cc(-c2nn[n-]n2)cs1 ZINC000823331635 606487727 /nfs/dbraw/zinc/48/77/27/606487727.db2.gz GGSGAMHPKLEPDZ-UHFFFAOYSA-N -1 3 356.798 3.382 20 0 FGADHM CCN(c1ccc(NC(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1)C(C)C ZINC000821230178 606488552 /nfs/dbraw/zinc/48/85/52/606488552.db2.gz DWVDCEPKPSSPSJ-UHFFFAOYSA-N -1 3 364.453 3.283 20 0 FGADHM CCN(c1ccc(NC(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1)C(C)C ZINC000821230178 606488553 /nfs/dbraw/zinc/48/85/53/606488553.db2.gz DWVDCEPKPSSPSJ-UHFFFAOYSA-N -1 3 364.453 3.283 20 0 FGADHM O=C(c1cc(-c2nnn[n-]2)cs1)N1CCSc2ccc(Cl)cc21 ZINC000823472606 606492535 /nfs/dbraw/zinc/49/25/35/606492535.db2.gz SMWYZGPNDHQCPD-UHFFFAOYSA-N -1 3 363.855 3.334 20 0 FGADHM O=C(c1cc(-c2nn[n-]n2)cs1)N1CCSc2ccc(Cl)cc21 ZINC000823472606 606492536 /nfs/dbraw/zinc/49/25/36/606492536.db2.gz SMWYZGPNDHQCPD-UHFFFAOYSA-N -1 3 363.855 3.334 20 0 FGADHM CC(C)(CNC(=O)c1cc(-c2nnn[n-]2)cs1)c1ccc(Cl)cc1 ZINC000819980237 606496713 /nfs/dbraw/zinc/49/67/13/606496713.db2.gz ADGFECBISGWOLM-UHFFFAOYSA-N -1 3 361.858 3.289 20 0 FGADHM CC(C)(CNC(=O)c1cc(-c2nn[n-]n2)cs1)c1ccc(Cl)cc1 ZINC000819980237 606496715 /nfs/dbraw/zinc/49/67/15/606496715.db2.gz ADGFECBISGWOLM-UHFFFAOYSA-N -1 3 361.858 3.289 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1ncc(-c2ccccc2)s1 ZINC000823107970 606509489 /nfs/dbraw/zinc/50/94/89/606509489.db2.gz HIWIGDXASKBNTI-UHFFFAOYSA-N -1 3 362.418 3.171 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1ncc(-c2ccccc2)s1 ZINC000823107970 606509490 /nfs/dbraw/zinc/50/94/90/606509490.db2.gz HIWIGDXASKBNTI-UHFFFAOYSA-N -1 3 362.418 3.171 20 0 FGADHM CCC1(C(=O)Nc2ccc(Oc3ncccc3-c3nnn[n-]3)cc2C)CC1 ZINC000820945276 606524353 /nfs/dbraw/zinc/52/43/53/606524353.db2.gz QLUNPLBQAMANQL-UHFFFAOYSA-N -1 3 364.409 3.491 20 0 FGADHM C[C@H](NC(=O)N[C@@H](C)c1ccc(F)cc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000820351679 606529042 /nfs/dbraw/zinc/52/90/42/606529042.db2.gz QULDXGMKZXSKQY-QWRGUYRKSA-N -1 3 372.379 3.266 20 0 FGADHM C[C@H](NC(=O)N[C@@H](C)c1ccc(F)cc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000820351679 606529043 /nfs/dbraw/zinc/52/90/43/606529043.db2.gz QULDXGMKZXSKQY-QWRGUYRKSA-N -1 3 372.379 3.266 20 0 FGADHM C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)c2cc(-c3nnn[n-]3)cs2)C1 ZINC000820665033 606542569 /nfs/dbraw/zinc/54/25/69/606542569.db2.gz DGKXSSRDQUWAGU-QMTHXVAHSA-N -1 3 357.414 3.291 20 0 FGADHM C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)c2cc(-c3nn[n-]n3)cs2)C1 ZINC000820665033 606542571 /nfs/dbraw/zinc/54/25/71/606542571.db2.gz DGKXSSRDQUWAGU-QMTHXVAHSA-N -1 3 357.414 3.291 20 0 FGADHM CC(C)(NC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)cc1 ZINC000819987649 606546854 /nfs/dbraw/zinc/54/68/54/606546854.db2.gz DNSIHTJWSIHWSJ-UHFFFAOYSA-N -1 3 355.829 3.114 20 0 FGADHM CC(C)(NC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)cc1 ZINC000819987649 606546857 /nfs/dbraw/zinc/54/68/57/606546857.db2.gz DNSIHTJWSIHWSJ-UHFFFAOYSA-N -1 3 355.829 3.114 20 0 FGADHM CC(C)(C)OCc1ccc(NC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000819951836 606548482 /nfs/dbraw/zinc/54/84/82/606548482.db2.gz XOWCUKCWAFOIEO-UHFFFAOYSA-N -1 3 351.410 3.434 20 0 FGADHM CC(C)(C)OCc1ccc(NC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000819951836 606548484 /nfs/dbraw/zinc/54/84/84/606548484.db2.gz XOWCUKCWAFOIEO-UHFFFAOYSA-N -1 3 351.410 3.434 20 0 FGADHM C[C@H]1CN(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C[C@@H]1C ZINC000820743385 606577480 /nfs/dbraw/zinc/57/74/80/606577480.db2.gz TWAKAUXZGYUHEB-IUCAKERBSA-N -1 3 354.336 3.005 20 0 FGADHM C[C@H]1CN(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C[C@@H]1C ZINC000820743385 606577481 /nfs/dbraw/zinc/57/74/81/606577481.db2.gz TWAKAUXZGYUHEB-IUCAKERBSA-N -1 3 354.336 3.005 20 0 FGADHM CCC1(CNC(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CC1 ZINC000820962106 606577628 /nfs/dbraw/zinc/57/76/28/606577628.db2.gz KEHIQMAZCVIZJB-UHFFFAOYSA-N -1 3 354.336 3.197 20 0 FGADHM CCC1(CNC(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CC1 ZINC000820962106 606577629 /nfs/dbraw/zinc/57/76/29/606577629.db2.gz KEHIQMAZCVIZJB-UHFFFAOYSA-N -1 3 354.336 3.197 20 0 FGADHM CC(=Cc1ccc(F)cc1)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000819765978 606578366 /nfs/dbraw/zinc/57/83/66/606578366.db2.gz UAVALDYZMVESKF-KXXVWKPMSA-N -1 3 351.385 3.287 20 0 FGADHM CC(=Cc1ccc(F)cc1)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000819765978 606578368 /nfs/dbraw/zinc/57/83/68/606578368.db2.gz UAVALDYZMVESKF-KXXVWKPMSA-N -1 3 351.385 3.287 20 0 FGADHM CC[C@H](Oc1ccccc1C)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820939233 606579160 /nfs/dbraw/zinc/57/91/60/606579160.db2.gz RHWLYMUJHTTWJK-YOEHRIQHSA-N -1 3 365.437 3.210 20 0 FGADHM CC[C@H](Oc1ccccc1C)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820939233 606579161 /nfs/dbraw/zinc/57/91/61/606579161.db2.gz RHWLYMUJHTTWJK-YOEHRIQHSA-N -1 3 365.437 3.210 20 0 FGADHM FC(F)Oc1cc(-c2nnn[n-]2)ccc1CSc1ncc2ccccn21 ZINC000822733185 606589646 /nfs/dbraw/zinc/58/96/46/606589646.db2.gz RRJFKVLETJZVMS-UHFFFAOYSA-N -1 3 374.376 3.408 20 0 FGADHM FC(F)Oc1cc(-c2nn[n-]n2)ccc1CSc1ncc2ccccn21 ZINC000822733185 606589648 /nfs/dbraw/zinc/58/96/48/606589648.db2.gz RRJFKVLETJZVMS-UHFFFAOYSA-N -1 3 374.376 3.408 20 0 FGADHM COc1cc(C)ccc1NCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000821712333 606596518 /nfs/dbraw/zinc/59/65/18/606596518.db2.gz FVLOXCBITDBPPA-UHFFFAOYSA-N -1 3 361.352 3.397 20 0 FGADHM COc1cc(C)ccc1NCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000821712333 606596520 /nfs/dbraw/zinc/59/65/20/606596520.db2.gz FVLOXCBITDBPPA-UHFFFAOYSA-N -1 3 361.352 3.397 20 0 FGADHM FC(F)Oc1cc(-c2nnn[n-]2)ccc1CSCCOCC1CC1 ZINC000822733304 606598956 /nfs/dbraw/zinc/59/89/56/606598956.db2.gz XCUYUQHFKVWHJO-UHFFFAOYSA-N -1 3 356.398 3.128 20 0 FGADHM FC(F)Oc1cc(-c2nn[n-]n2)ccc1CSCCOCC1CC1 ZINC000822733304 606598958 /nfs/dbraw/zinc/59/89/58/606598958.db2.gz XCUYUQHFKVWHJO-UHFFFAOYSA-N -1 3 356.398 3.128 20 0 FGADHM COCCc1nc2cc(N[C@H](C)c3ccc(-c4nnn[n-]4)cc3)ccc2o1 ZINC000821694327 606601099 /nfs/dbraw/zinc/60/10/99/606601099.db2.gz IORFWZODBSPSAX-GFCCVEGCSA-N -1 3 364.409 3.370 20 0 FGADHM COCCc1nc2cc(N[C@H](C)c3ccc(-c4nn[n-]n4)cc3)ccc2o1 ZINC000821694327 606601100 /nfs/dbraw/zinc/60/11/00/606601100.db2.gz IORFWZODBSPSAX-GFCCVEGCSA-N -1 3 364.409 3.370 20 0 FGADHM O=C(c1cccc(-c2nnn[n-]2)c1)N1CCCC[C@H]1c1ccc(F)cc1 ZINC000823487653 606602524 /nfs/dbraw/zinc/60/25/24/606602524.db2.gz FFTSPOGLGXDARY-KRWDZBQOSA-N -1 3 351.385 3.373 20 0 FGADHM O=C(c1cccc(-c2nn[n-]n2)c1)N1CCCC[C@H]1c1ccc(F)cc1 ZINC000823487653 606602525 /nfs/dbraw/zinc/60/25/25/606602525.db2.gz FFTSPOGLGXDARY-KRWDZBQOSA-N -1 3 351.385 3.373 20 0 FGADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)c1cc2cccc(Cl)c2o1 ZINC000823241916 606604441 /nfs/dbraw/zinc/60/44/41/606604441.db2.gz JTOHOZYGCZIMMS-UHFFFAOYSA-N -1 3 371.759 3.335 20 0 FGADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)c1cc2cccc(Cl)c2o1 ZINC000823241916 606604444 /nfs/dbraw/zinc/60/44/44/606604444.db2.gz JTOHOZYGCZIMMS-UHFFFAOYSA-N -1 3 371.759 3.335 20 0 FGADHM CC(C)CC(C)(C)C(=O)NC1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000820051732 606606122 /nfs/dbraw/zinc/60/61/22/606606122.db2.gz UQSILONJXCTKEU-UHFFFAOYSA-N -1 3 370.501 3.024 20 0 FGADHM CC(C)CC(C)(C)C(=O)NC1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000820051732 606606124 /nfs/dbraw/zinc/60/61/24/606606124.db2.gz UQSILONJXCTKEU-UHFFFAOYSA-N -1 3 370.501 3.024 20 0 FGADHM S=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1C[C@H]2CCCC[C@@H]2C1 ZINC000823732252 606626913 /nfs/dbraw/zinc/62/69/13/606626913.db2.gz JQPNNMIZBALNFU-GHMZBOCLSA-N -1 3 362.890 3.339 20 0 FGADHM S=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1C[C@H]2CCCC[C@@H]2C1 ZINC000823732252 606626915 /nfs/dbraw/zinc/62/69/15/606626915.db2.gz JQPNNMIZBALNFU-GHMZBOCLSA-N -1 3 362.890 3.339 20 0 FGADHM O[C@H]1CCCC[C@H]1Oc1ccc(NCc2ccc(-c3nnn[n-]3)s2)cc1 ZINC000823706752 606657531 /nfs/dbraw/zinc/65/75/31/606657531.db2.gz OHIPXGWKHPILRF-JKSUJKDBSA-N -1 3 371.466 3.223 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)CCCc1ccc(F)c(F)c1 ZINC000821699615 606662952 /nfs/dbraw/zinc/66/29/52/606662952.db2.gz WPTRJTROBMUGCD-UHFFFAOYSA-N -1 3 374.347 3.082 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)CCCc1ccc(F)c(F)c1 ZINC000821699615 606662953 /nfs/dbraw/zinc/66/29/53/606662953.db2.gz WPTRJTROBMUGCD-UHFFFAOYSA-N -1 3 374.347 3.082 20 0 FGADHM O=C(N[C@@H]1CC[C@H]2CCCC[C@@H]2C1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823145642 606663757 /nfs/dbraw/zinc/66/37/57/606663757.db2.gz SEULYSYESKKLAA-NQBHXWOUSA-N -1 3 361.396 3.234 20 0 FGADHM O=C(N[C@@H]1CC[C@H]2CCCC[C@@H]2C1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823145642 606663758 /nfs/dbraw/zinc/66/37/58/606663758.db2.gz SEULYSYESKKLAA-NQBHXWOUSA-N -1 3 361.396 3.234 20 0 FGADHM O=C(OCc1ccccc1Cl)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823430194 606664262 /nfs/dbraw/zinc/66/42/62/606664262.db2.gz GVVCCZYFEPCBRZ-UHFFFAOYSA-N -1 3 350.712 3.155 20 0 FGADHM O=C(OCc1ccccc1Cl)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823430194 606664263 /nfs/dbraw/zinc/66/42/63/606664263.db2.gz GVVCCZYFEPCBRZ-UHFFFAOYSA-N -1 3 350.712 3.155 20 0 FGADHM Cc1cc(Oc2ncccc2-c2nnn[n-]2)ccc1NC(=O)C=C1CCC1 ZINC000822211551 606669474 /nfs/dbraw/zinc/66/94/74/606669474.db2.gz DPUWJMHYFUWZOZ-UHFFFAOYSA-N -1 3 362.393 3.411 20 0 FGADHM CC(C)OCc1ccc(NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1 ZINC000820146880 606673421 /nfs/dbraw/zinc/67/34/21/606673421.db2.gz TWXZABZYHALEGZ-UHFFFAOYSA-N -1 3 373.363 3.322 20 0 FGADHM CC(C)OCc1ccc(NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1 ZINC000820146880 606673422 /nfs/dbraw/zinc/67/34/22/606673422.db2.gz TWXZABZYHALEGZ-UHFFFAOYSA-N -1 3 373.363 3.322 20 0 FGADHM Cn1cc(CCC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c2ccccc21 ZINC000822680365 606677448 /nfs/dbraw/zinc/67/74/48/606677448.db2.gz MLNAMJFPBOWEPR-UHFFFAOYSA-N -1 3 364.384 3.069 20 0 FGADHM Cn1cc(CCC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c2ccccc21 ZINC000822680365 606677449 /nfs/dbraw/zinc/67/74/49/606677449.db2.gz MLNAMJFPBOWEPR-UHFFFAOYSA-N -1 3 364.384 3.069 20 0 FGADHM Cc1ccccc1CC(C)(C)NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000822355921 606677698 /nfs/dbraw/zinc/67/76/98/606677698.db2.gz BHJGSFPNQXEGSD-UHFFFAOYSA-N -1 3 371.391 3.204 20 0 FGADHM Cc1ccccc1CC(C)(C)NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000822355921 606677699 /nfs/dbraw/zinc/67/76/99/606677699.db2.gz BHJGSFPNQXEGSD-UHFFFAOYSA-N -1 3 371.391 3.204 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)Nc1nc2c(cccc2Cl)[nH]1 ZINC000822937048 606689152 /nfs/dbraw/zinc/68/91/52/606689152.db2.gz ZFGVLDSBCBIRPI-CMDGGOBGSA-N -1 3 365.784 3.048 20 0 FGADHM Cc1ccc([C@H](C)NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)cc1F ZINC000822229461 606692920 /nfs/dbraw/zinc/69/29/20/606692920.db2.gz VHCNKVKZJCKVJE-LBPRGKRZSA-N -1 3 371.441 3.284 20 0 FGADHM Cc1ccc([C@H](C)NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000822229461 606692921 /nfs/dbraw/zinc/69/29/21/606692921.db2.gz VHCNKVKZJCKVJE-LBPRGKRZSA-N -1 3 371.441 3.284 20 0 FGADHM C[C@H](NC(=O)c1sccc1-c1nnn[n-]1)c1cccc(N2CCCC2)c1 ZINC000820403963 606693325 /nfs/dbraw/zinc/69/33/25/606693325.db2.gz NZLZWDCLDYPEJZ-LBPRGKRZSA-N -1 3 368.466 3.019 20 0 FGADHM C[C@H](NC(=O)c1sccc1-c1nn[n-]n1)c1cccc(N2CCCC2)c1 ZINC000820403963 606693326 /nfs/dbraw/zinc/69/33/26/606693326.db2.gz NZLZWDCLDYPEJZ-LBPRGKRZSA-N -1 3 368.466 3.019 20 0 FGADHM CCC(=O)c1ccc(C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000820843043 606736346 /nfs/dbraw/zinc/73/63/46/606736346.db2.gz SSHIUSOYACDCNX-LBPRGKRZSA-N -1 3 350.378 3.377 20 0 FGADHM CCC(=O)c1ccc(C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000820843043 606736348 /nfs/dbraw/zinc/73/63/48/606736348.db2.gz SSHIUSOYACDCNX-LBPRGKRZSA-N -1 3 350.378 3.377 20 0 FGADHM Cc1c(NC(=O)Cc2ccc(-c3nnn[n-]3)cc2)cccc1C(F)(F)F ZINC000822076835 606739747 /nfs/dbraw/zinc/73/97/47/606739747.db2.gz SPVZCMAIPGKLQB-UHFFFAOYSA-N -1 3 361.327 3.375 20 0 FGADHM Cc1c(NC(=O)Cc2ccc(-c3nn[n-]n3)cc2)cccc1C(F)(F)F ZINC000822076835 606739749 /nfs/dbraw/zinc/73/97/49/606739749.db2.gz SPVZCMAIPGKLQB-UHFFFAOYSA-N -1 3 361.327 3.375 20 0 FGADHM Cc1ccccc1OCCCOC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000822366539 606755362 /nfs/dbraw/zinc/75/53/62/606755362.db2.gz MJSBLLYQIHXEDN-UHFFFAOYSA-N -1 3 374.347 3.079 20 0 FGADHM Cc1ccccc1OCCCOC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000822366539 606755364 /nfs/dbraw/zinc/75/53/64/606755364.db2.gz MJSBLLYQIHXEDN-UHFFFAOYSA-N -1 3 374.347 3.079 20 0 FGADHM CCC1(C(=O)OCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)COC1 ZINC000820949812 606755633 /nfs/dbraw/zinc/75/56/33/606755633.db2.gz GARJNAMBAXNJDI-UHFFFAOYSA-N -1 3 364.405 3.004 20 0 FGADHM CCC1(C(=O)OCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)COC1 ZINC000820949812 606755635 /nfs/dbraw/zinc/75/56/35/606755635.db2.gz GARJNAMBAXNJDI-UHFFFAOYSA-N -1 3 364.405 3.004 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)ccc1OCc1cc(C(=O)OC)sc1C ZINC000821395172 606767824 /nfs/dbraw/zinc/76/78/24/606767824.db2.gz SEBZVRNPVXMADQ-UHFFFAOYSA-N -1 3 374.422 3.001 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)ccc1OCc1cc(C(=O)OC)sc1C ZINC000821395172 606767825 /nfs/dbraw/zinc/76/78/25/606767825.db2.gz SEBZVRNPVXMADQ-UHFFFAOYSA-N -1 3 374.422 3.001 20 0 FGADHM C[C@@](O)(c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1)C(F)(F)F ZINC000820467301 606773529 /nfs/dbraw/zinc/77/35/29/606773529.db2.gz DBZLOJAZGQIRFV-MRXNPFEDSA-N -1 3 364.327 3.216 20 0 FGADHM C[C@@](O)(c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1)C(F)(F)F ZINC000820467301 606773531 /nfs/dbraw/zinc/77/35/31/606773531.db2.gz DBZLOJAZGQIRFV-MRXNPFEDSA-N -1 3 364.327 3.216 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)NCC(C)C)cc1 ZINC000822144751 606776983 /nfs/dbraw/zinc/77/69/83/606776983.db2.gz NKQOCBPUQYTIIO-UHFFFAOYSA-N -1 3 351.410 3.353 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)NCC(C)C)cc1 ZINC000822144751 606776985 /nfs/dbraw/zinc/77/69/85/606776985.db2.gz NKQOCBPUQYTIIO-UHFFFAOYSA-N -1 3 351.410 3.353 20 0 FGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)CC1CCSCC1 ZINC000820116842 606800716 /nfs/dbraw/zinc/80/07/16/606800716.db2.gz PUGSRZZIDRDKDO-UHFFFAOYSA-N -1 3 359.499 3.137 20 0 FGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)CC1CCSCC1 ZINC000820116842 606800714 /nfs/dbraw/zinc/80/07/14/606800714.db2.gz PUGSRZZIDRDKDO-UHFFFAOYSA-N -1 3 359.499 3.137 20 0 FGADHM COC[C@H](C)OC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000821683134 606839984 /nfs/dbraw/zinc/83/99/84/606839984.db2.gz WMAMUNGXKPGKSC-ZDUSSCGKSA-N -1 3 368.393 3.159 20 0 FGADHM COC[C@H](C)OC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000821683134 606839986 /nfs/dbraw/zinc/83/99/86/606839986.db2.gz WMAMUNGXKPGKSC-ZDUSSCGKSA-N -1 3 368.393 3.159 20 0 FGADHM COC(=O)c1ccoc1CSc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821671381 606851393 /nfs/dbraw/zinc/85/13/93/606851393.db2.gz UFWGGUAXBQUGNX-UHFFFAOYSA-N -1 3 350.787 3.192 20 0 FGADHM COC(=O)c1ccoc1CSc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821671381 606851395 /nfs/dbraw/zinc/85/13/95/606851395.db2.gz UFWGGUAXBQUGNX-UHFFFAOYSA-N -1 3 350.787 3.192 20 0 FGADHM CC(=O)Nc1cc(NCCCOc2cccc(-c3nnn[n-]3)c2)ccc1C ZINC000819810550 606863067 /nfs/dbraw/zinc/86/30/67/606863067.db2.gz MRSGTFUKZKWEAV-UHFFFAOYSA-N -1 3 366.425 3.015 20 0 FGADHM CC(=O)Nc1cc(NCCCOc2cccc(-c3nn[n-]n3)c2)ccc1C ZINC000819810550 606863068 /nfs/dbraw/zinc/86/30/68/606863068.db2.gz MRSGTFUKZKWEAV-UHFFFAOYSA-N -1 3 366.425 3.015 20 0 FGADHM CC(C)(C)NC(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000819922238 606869436 /nfs/dbraw/zinc/86/94/36/606869436.db2.gz HXNDQMBDLKKGKG-UHFFFAOYSA-N -1 3 356.455 3.193 20 0 FGADHM O=C(NCC1(Cc2ccccc2)CCC1)c1cc(-c2nnn[n-]2)cs1 ZINC000823171053 606872173 /nfs/dbraw/zinc/87/21/73/606872173.db2.gz NFNMNKAUJGQRCV-UHFFFAOYSA-N -1 3 353.451 3.071 20 0 FGADHM O=C(NCC1(Cc2ccccc2)CCC1)c1cc(-c2nn[n-]n2)cs1 ZINC000823171053 606872175 /nfs/dbraw/zinc/87/21/75/606872175.db2.gz NFNMNKAUJGQRCV-UHFFFAOYSA-N -1 3 353.451 3.071 20 0 FGADHM CN(CCC1CCOCC1)c1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000821599525 606876015 /nfs/dbraw/zinc/87/60/15/606876015.db2.gz YNIRPCZRVQVSIL-UHFFFAOYSA-N -1 3 355.364 3.138 20 0 FGADHM CCC[C@H]1CCCN(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OCC)C1 ZINC000821041030 606905774 /nfs/dbraw/zinc/90/57/74/606905774.db2.gz XWIPTDFZMCJAIL-ZDUSSCGKSA-N -1 3 358.446 3.309 20 0 FGADHM CCC[C@H]1CCCN(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OCC)C1 ZINC000821041030 606905776 /nfs/dbraw/zinc/90/57/76/606905776.db2.gz XWIPTDFZMCJAIL-ZDUSSCGKSA-N -1 3 358.446 3.309 20 0 FGADHM CCc1nnc(SCc2cccc(OC)c2)c(-c2nnn[n-]2)c1CC ZINC000821547692 606925793 /nfs/dbraw/zinc/92/57/93/606925793.db2.gz ACUGPMSTDBTKEX-UHFFFAOYSA-N -1 3 356.455 3.082 20 0 FGADHM CCc1nnc(SCc2cccc(OC)c2)c(-c2nn[n-]n2)c1CC ZINC000821547692 606925795 /nfs/dbraw/zinc/92/57/95/606925795.db2.gz ACUGPMSTDBTKEX-UHFFFAOYSA-N -1 3 356.455 3.082 20 0 FGADHM CC(C)(C)NC(=O)c1ccc(NCc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000819922724 606927092 /nfs/dbraw/zinc/92/70/92/606927092.db2.gz NPUGSDDOJKEPAV-UHFFFAOYSA-N -1 3 368.416 3.146 20 0 FGADHM CC(C)(C)NC(=O)c1ccc(NCc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000819922724 606927093 /nfs/dbraw/zinc/92/70/93/606927093.db2.gz NPUGSDDOJKEPAV-UHFFFAOYSA-N -1 3 368.416 3.146 20 0 FGADHM CCc1nnc(NCc2cc(F)ccc2SC)c(-c2nnn[n-]2)c1CC ZINC000821542448 606940713 /nfs/dbraw/zinc/94/07/13/606940713.db2.gz SEPSRWRGTDWOLD-UHFFFAOYSA-N -1 3 373.461 3.255 20 0 FGADHM CCc1nnc(NCc2cc(F)ccc2SC)c(-c2nn[n-]n2)c1CC ZINC000821542448 606940714 /nfs/dbraw/zinc/94/07/14/606940714.db2.gz SEPSRWRGTDWOLD-UHFFFAOYSA-N -1 3 373.461 3.255 20 0 FGADHM C[C@]1(CNc2ccc(C(F)(F)F)cc2-c2nnn[n-]2)CCCC[C@@H]1O ZINC000820623751 606941011 /nfs/dbraw/zinc/94/10/11/606941011.db2.gz XUOWFNGFHNUIER-DZGCQCFKSA-N -1 3 355.364 3.239 20 0 FGADHM C[C@]1(CNc2ccc(C(F)(F)F)cc2-c2nn[n-]n2)CCCC[C@@H]1O ZINC000820623751 606941013 /nfs/dbraw/zinc/94/10/13/606941013.db2.gz XUOWFNGFHNUIER-DZGCQCFKSA-N -1 3 355.364 3.239 20 0 FGADHM CC(C)c1nc(C(=O)OCCCOc2cccc(-c3nnn[n-]3)c2)cs1 ZINC000820203132 606947939 /nfs/dbraw/zinc/94/79/39/606947939.db2.gz QBEHPCQXILZEJF-UHFFFAOYSA-N -1 3 373.438 3.073 20 0 FGADHM CC(C)c1nc(C(=O)OCCCOc2cccc(-c3nn[n-]n3)c2)cs1 ZINC000820203132 606947942 /nfs/dbraw/zinc/94/79/42/606947942.db2.gz QBEHPCQXILZEJF-UHFFFAOYSA-N -1 3 373.438 3.073 20 0 FGADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)OC/C(Cl)=C\Cl ZINC000822955465 606948889 /nfs/dbraw/zinc/94/88/89/606948889.db2.gz WAKFNMZYSYYONQ-FMIVXFBMSA-N -1 3 371.224 3.278 20 0 FGADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)OC/C(Cl)=C\Cl ZINC000822955465 606948891 /nfs/dbraw/zinc/94/88/91/606948891.db2.gz WAKFNMZYSYYONQ-FMIVXFBMSA-N -1 3 371.224 3.278 20 0 FGADHM CN(C(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1ccccc1-c1nnn[n-]1 ZINC000821569653 606970897 /nfs/dbraw/zinc/97/08/97/606970897.db2.gz RFUNOBNSCLLMJE-GHMZBOCLSA-N -1 3 353.348 3.198 20 0 FGADHM CN(C(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1ccccc1-c1nn[n-]n1 ZINC000821569653 606970899 /nfs/dbraw/zinc/97/08/99/606970899.db2.gz RFUNOBNSCLLMJE-GHMZBOCLSA-N -1 3 353.348 3.198 20 0 FGADHM CN(C(=O)CCSc1ccccc1F)c1ccccc1-c1nnn[n-]1 ZINC000821569477 606971086 /nfs/dbraw/zinc/97/10/86/606971086.db2.gz LOEWZGKONLZPFE-UHFFFAOYSA-N -1 3 357.414 3.151 20 0 FGADHM CN(C(=O)CCSc1ccccc1F)c1ccccc1-c1nn[n-]n1 ZINC000821569477 606971088 /nfs/dbraw/zinc/97/10/88/606971088.db2.gz LOEWZGKONLZPFE-UHFFFAOYSA-N -1 3 357.414 3.151 20 0 FGADHM CN(C(=O)Cc1ccc(C(F)(F)F)cc1)c1ccccc1-c1nnn[n-]1 ZINC000821570837 606971190 /nfs/dbraw/zinc/97/11/90/606971190.db2.gz NQQYVEGBHRUXSU-UHFFFAOYSA-N -1 3 361.327 3.091 20 0 FGADHM CN(C(=O)Cc1ccc(C(F)(F)F)cc1)c1ccccc1-c1nn[n-]n1 ZINC000821570837 606971192 /nfs/dbraw/zinc/97/11/92/606971192.db2.gz NQQYVEGBHRUXSU-UHFFFAOYSA-N -1 3 361.327 3.091 20 0 FGADHM CN(C(=O)c1cc2ccccc2c(Cl)n1)c1ccccc1-c1nnn[n-]1 ZINC000821573131 606973027 /nfs/dbraw/zinc/97/30/27/606973027.db2.gz CFGPAUSUAJMJNI-UHFFFAOYSA-N -1 3 364.796 3.345 20 0 FGADHM CN(C(=O)c1cc2ccccc2c(Cl)n1)c1ccccc1-c1nn[n-]n1 ZINC000821573131 606973028 /nfs/dbraw/zinc/97/30/28/606973028.db2.gz CFGPAUSUAJMJNI-UHFFFAOYSA-N -1 3 364.796 3.345 20 0 FGADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)c1ccc(-c2ccco2)s1 ZINC000823257391 606992911 /nfs/dbraw/zinc/99/29/11/606992911.db2.gz LCWIEBWMYNPION-UHFFFAOYSA-N -1 3 351.391 3.118 20 0 FGADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)c1ccc(-c2ccco2)s1 ZINC000823257391 606992912 /nfs/dbraw/zinc/99/29/12/606992912.db2.gz LCWIEBWMYNPION-UHFFFAOYSA-N -1 3 351.391 3.118 20 0 FGADHM Cc1ccc(NC(=O)[C@H](C)Sc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000822242257 607013978 /nfs/dbraw/zinc/01/39/78/607013978.db2.gz GAMFAHMDEFXZLK-NSHDSACASA-N -1 3 357.414 3.434 20 0 FGADHM Cc1ccc(NC(=O)[C@H](C)Sc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000822242257 607013980 /nfs/dbraw/zinc/01/39/80/607013980.db2.gz GAMFAHMDEFXZLK-NSHDSACASA-N -1 3 357.414 3.434 20 0 FGADHM C[C@H]1CC[C@H](CC(=O)NCCSCc2ccccc2-c2nnn[n-]2)C1 ZINC000820684877 607022810 /nfs/dbraw/zinc/02/28/10/607022810.db2.gz SQDPGOQLZCHDRN-KBPBESRZSA-N -1 3 359.499 3.042 20 0 FGADHM C[C@H]1CC[C@H](CC(=O)NCCSCc2ccccc2-c2nn[n-]n2)C1 ZINC000820684877 607022811 /nfs/dbraw/zinc/02/28/11/607022811.db2.gz SQDPGOQLZCHDRN-KBPBESRZSA-N -1 3 359.499 3.042 20 0 FGADHM C[C@@H]1CC[C@@H](CC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)C1 ZINC000820683431 607036285 /nfs/dbraw/zinc/03/62/85/607036285.db2.gz BAQBAIFULGBKFM-NXEZZACHSA-N -1 3 351.357 3.233 20 0 FGADHM C[C@@H]1CC[C@@H](CC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)C1 ZINC000820683431 607036287 /nfs/dbraw/zinc/03/62/87/607036287.db2.gz BAQBAIFULGBKFM-NXEZZACHSA-N -1 3 351.357 3.233 20 0 FGADHM CC[C@H]1CCCN(C(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000820981043 607036698 /nfs/dbraw/zinc/03/66/98/607036698.db2.gz OPYCJDDLMXYNLV-AWEZNQCLSA-N -1 3 357.458 3.063 20 0 FGADHM CC[C@H]1CCCN(C(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000820981043 607036701 /nfs/dbraw/zinc/03/67/01/607036701.db2.gz OPYCJDDLMXYNLV-AWEZNQCLSA-N -1 3 357.458 3.063 20 0 FGADHM Cc1occc1-c1nnc(SCc2cc(F)ccc2-c2nnn[n-]2)o1 ZINC000822552590 607037953 /nfs/dbraw/zinc/03/79/53/607037953.db2.gz CSSRORYTSUJUFS-UHFFFAOYSA-N -1 3 358.358 3.250 20 0 FGADHM Cc1occc1-c1nnc(SCc2cc(F)ccc2-c2nn[n-]n2)o1 ZINC000822552590 607037955 /nfs/dbraw/zinc/03/79/55/607037955.db2.gz CSSRORYTSUJUFS-UHFFFAOYSA-N -1 3 358.358 3.250 20 0 FGADHM COc1ccc(CNc2nc3c(cc2-c2nnn[n-]2)CCC3)cc1Cl ZINC000821823802 607038676 /nfs/dbraw/zinc/03/86/76/607038676.db2.gz CPYKMZFFNKGXCJ-UHFFFAOYSA-N -1 3 356.817 3.025 20 0 FGADHM COc1ccc(CNc2nc3c(cc2-c2nn[n-]n2)CCC3)cc1Cl ZINC000821823802 607038677 /nfs/dbraw/zinc/03/86/77/607038677.db2.gz CPYKMZFFNKGXCJ-UHFFFAOYSA-N -1 3 356.817 3.025 20 0 FGADHM Clc1cc(COc2ccc(Br)cc2-c2nnn[n-]2)ccn1 ZINC000822567402 607042200 /nfs/dbraw/zinc/04/22/00/607042200.db2.gz AMYIFAOZUZITCM-UHFFFAOYSA-N -1 3 366.606 3.257 20 0 FGADHM Clc1cc(COc2ccc(Br)cc2-c2nn[n-]n2)ccn1 ZINC000822567402 607042201 /nfs/dbraw/zinc/04/22/01/607042201.db2.gz AMYIFAOZUZITCM-UHFFFAOYSA-N -1 3 366.606 3.257 20 0 FGADHM Cc1cccc(C)c1CCNC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822293639 607055871 /nfs/dbraw/zinc/05/58/71/607055871.db2.gz FNXGVGFOWICJLU-HNNXBMFYSA-N -1 3 364.453 3.086 20 0 FGADHM Cc1cccc(C)c1CCNC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822293639 607055873 /nfs/dbraw/zinc/05/58/73/607055873.db2.gz FNXGVGFOWICJLU-HNNXBMFYSA-N -1 3 364.453 3.086 20 0 FGADHM CC1(C)CO[C@@H](c2ccccc2)CN1Cc1cc(F)ccc1-c1nn[n-]n1 ZINC000820607019 607061797 /nfs/dbraw/zinc/06/17/97/607061797.db2.gz IDKWUFBRQDGZJC-GOSISDBHSA-N -1 3 367.428 3.358 20 0 FGADHM Cc1cccc([C@@H]2CCCN2C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)n1 ZINC000822299801 607071745 /nfs/dbraw/zinc/07/17/45/607071745.db2.gz VFVRDIKXVGYXRX-INIZCTEOSA-N -1 3 367.388 3.078 20 0 FGADHM Cc1cccc([C@@H]2CCCN2C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)n1 ZINC000822299801 607071747 /nfs/dbraw/zinc/07/17/47/607071747.db2.gz VFVRDIKXVGYXRX-INIZCTEOSA-N -1 3 367.388 3.078 20 0 FGADHM O=C(O[C@@H]1CCc2sc(Cl)cc21)c1sccc1-c1nnn[n-]1 ZINC000823396992 607094268 /nfs/dbraw/zinc/09/42/68/607094268.db2.gz QCFJCLAWOXUOBU-MRVPVSSYSA-N -1 3 352.828 3.487 20 0 FGADHM C[C@@]1(c2ccccc2)CN(c2ccc(-c3nnn[n-]3)c(Cl)c2)CCO1 ZINC000820636218 607116004 /nfs/dbraw/zinc/11/60/04/607116004.db2.gz QLBOIDYWSOZBQL-SFHVURJKSA-N -1 3 355.829 3.272 20 0 FGADHM C[C@@]1(c2ccccc2)CN(c2ccc(-c3nn[n-]n3)c(Cl)c2)CCO1 ZINC000820636218 607116005 /nfs/dbraw/zinc/11/60/05/607116005.db2.gz QLBOIDYWSOZBQL-SFHVURJKSA-N -1 3 355.829 3.272 20 0 FGADHM CCc1nnc(N[C@@H]2CCOC3(CCCCC3)C2)c(-c2nnn[n-]2)c1CC ZINC000821529619 607130707 /nfs/dbraw/zinc/13/07/07/607130707.db2.gz XZXPKJZMJOAWEX-CYBMUJFWSA-N -1 3 371.489 3.075 20 0 FGADHM CCc1nnc(N[C@@H]2CCOC3(CCCCC3)C2)c(-c2nn[n-]n2)c1CC ZINC000821529619 607130708 /nfs/dbraw/zinc/13/07/08/607130708.db2.gz XZXPKJZMJOAWEX-CYBMUJFWSA-N -1 3 371.489 3.075 20 0 FGADHM CN(C)C(=O)Sc1cccc(COc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000821578099 607135921 /nfs/dbraw/zinc/13/59/21/607135921.db2.gz NNHQNXLLHMHQDL-UHFFFAOYSA-N -1 3 373.413 3.359 20 0 FGADHM CN(C)C(=O)Sc1cccc(COc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000821578099 607135923 /nfs/dbraw/zinc/13/59/23/607135923.db2.gz NNHQNXLLHMHQDL-UHFFFAOYSA-N -1 3 373.413 3.359 20 0 FGADHM CCC(=O)c1ccc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCC3)cc1 ZINC000820842147 607150330 /nfs/dbraw/zinc/15/03/30/607150330.db2.gz KLONLANICXEBLK-UHFFFAOYSA-N -1 3 367.434 3.262 20 0 FGADHM CCC(=O)c1ccc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)cc1 ZINC000820842147 607150332 /nfs/dbraw/zinc/15/03/32/607150332.db2.gz KLONLANICXEBLK-UHFFFAOYSA-N -1 3 367.434 3.262 20 0 FGADHM CCCC1(C(=O)Nc2ncc(Cc3ccc(-c4nnn[n-]4)cc3)s2)CC1 ZINC000821027669 607152022 /nfs/dbraw/zinc/15/20/22/607152022.db2.gz QECKWWYMZRKRJR-UHFFFAOYSA-N -1 3 368.466 3.433 20 0 FGADHM CCCC1(C(=O)Nc2ncc(Cc3ccc(-c4nn[n-]n4)cc3)s2)CC1 ZINC000821027669 607152023 /nfs/dbraw/zinc/15/20/23/607152023.db2.gz QECKWWYMZRKRJR-UHFFFAOYSA-N -1 3 368.466 3.433 20 0 FGADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)c1cccc(C)c1F ZINC000821699197 607152628 /nfs/dbraw/zinc/15/26/28/607152628.db2.gz GCZNYGDBLMBWAY-UHFFFAOYSA-N -1 3 362.748 3.195 20 0 FGADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)c1cccc(C)c1F ZINC000821699197 607152630 /nfs/dbraw/zinc/15/26/30/607152630.db2.gz GCZNYGDBLMBWAY-UHFFFAOYSA-N -1 3 362.748 3.195 20 0 FGADHM CCC[C@H](C)[C@H]1CCCN1C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000821015895 607164609 /nfs/dbraw/zinc/16/46/09/607164609.db2.gz SLJAIXGIGJORCT-XJKSGUPXSA-N -1 3 359.499 3.386 20 0 FGADHM CCC[C@H](C)[C@H]1CCCN1C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000821015895 607164610 /nfs/dbraw/zinc/16/46/10/607164610.db2.gz SLJAIXGIGJORCT-XJKSGUPXSA-N -1 3 359.499 3.386 20 0 FGADHM C[C@H](N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)c1nc(-c2ccccc2)no1 ZINC000820411297 607171896 /nfs/dbraw/zinc/17/18/96/607171896.db2.gz IFISCCIPKWCOBQ-STQMWFEESA-N -1 3 361.409 3.329 20 0 FGADHM C[C@H](N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)c1nc(-c2ccccc2)no1 ZINC000820411297 607171897 /nfs/dbraw/zinc/17/18/97/607171897.db2.gz IFISCCIPKWCOBQ-STQMWFEESA-N -1 3 361.409 3.329 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)[C@H]1C[C@H]1c1ccc(F)cc1 ZINC000823315306 607192168 /nfs/dbraw/zinc/19/21/68/607192168.db2.gz WZWYJHXGIIURGF-STQMWFEESA-N -1 3 357.776 3.401 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)[C@H]1C[C@H]1c1ccc(F)cc1 ZINC000823315306 607192169 /nfs/dbraw/zinc/19/21/69/607192169.db2.gz WZWYJHXGIIURGF-STQMWFEESA-N -1 3 357.776 3.401 20 0 FGADHM C[C@@H](c1cccnc1)N(C)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820570541 607195440 /nfs/dbraw/zinc/19/54/40/607195440.db2.gz LYRPESNAVBICQT-JTQLQIEISA-N -1 3 357.805 3.140 20 0 FGADHM C[C@@H](c1cccnc1)N(C)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820570541 607195441 /nfs/dbraw/zinc/19/54/41/607195441.db2.gz LYRPESNAVBICQT-JTQLQIEISA-N -1 3 357.805 3.140 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N[C@@H]1CCCc2[nH]ccc21 ZINC000823319680 607196932 /nfs/dbraw/zinc/19/69/32/607196932.db2.gz XJONLFHVVHRDFQ-CYBMUJFWSA-N -1 3 357.805 3.047 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N[C@@H]1CCCc2[nH]ccc21 ZINC000823319680 607196933 /nfs/dbraw/zinc/19/69/33/607196933.db2.gz XJONLFHVVHRDFQ-CYBMUJFWSA-N -1 3 357.805 3.047 20 0 FGADHM CCOc1cccc(CNC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000821431083 607197190 /nfs/dbraw/zinc/19/71/90/607197190.db2.gz LHIKFPAUAJYLGV-UHFFFAOYSA-N -1 3 372.816 3.241 20 0 FGADHM CCOc1cccc(CNC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000821431083 607197191 /nfs/dbraw/zinc/19/71/91/607197191.db2.gz LHIKFPAUAJYLGV-UHFFFAOYSA-N -1 3 372.816 3.241 20 0 FGADHM COc1cc(C)ccc1CNC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821707916 607201074 /nfs/dbraw/zinc/20/10/74/607201074.db2.gz HOUZJGKNKCKQLK-UHFFFAOYSA-N -1 3 372.816 3.159 20 0 FGADHM COc1cc(C)ccc1CNC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821707916 607201075 /nfs/dbraw/zinc/20/10/75/607201075.db2.gz HOUZJGKNKCKQLK-UHFFFAOYSA-N -1 3 372.816 3.159 20 0 FGADHM COc1ccc([C@@H](C)NC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000821777753 607203582 /nfs/dbraw/zinc/20/35/82/607203582.db2.gz MEXZRTDCKIFZGN-SNVBAGLBSA-N -1 3 372.816 3.411 20 0 FGADHM COc1ccc([C@@H](C)NC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000821777753 607203583 /nfs/dbraw/zinc/20/35/83/607203583.db2.gz MEXZRTDCKIFZGN-SNVBAGLBSA-N -1 3 372.816 3.411 20 0 FGADHM O=C(Nc1cccc(CO)c1)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000823363603 607235320 /nfs/dbraw/zinc/23/53/20/607235320.db2.gz IHXIUVJMFCWNMD-UHFFFAOYSA-N -1 3 371.400 3.278 20 0 FGADHM O=C(Nc1cccc(CO)c1)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000823363603 607235321 /nfs/dbraw/zinc/23/53/21/607235321.db2.gz IHXIUVJMFCWNMD-UHFFFAOYSA-N -1 3 371.400 3.278 20 0 FGADHM Cc1sc(NC(=O)COc2cc(C)ccc2F)c(-c2nnn[n-]2)c1C ZINC000822241344 607235791 /nfs/dbraw/zinc/23/57/91/607235791.db2.gz SJAASOSBJXNCDC-UHFFFAOYSA-N -1 3 361.402 3.010 20 0 FGADHM Cc1sc(NC(=O)COc2cc(C)ccc2F)c(-c2nn[n-]n2)c1C ZINC000822241344 607235792 /nfs/dbraw/zinc/23/57/92/607235792.db2.gz SJAASOSBJXNCDC-UHFFFAOYSA-N -1 3 361.402 3.010 20 0 FGADHM O=c1[nH]c2ccccc2n1CCCSc1ccc(-c2nnn[n-]2)cc1 ZINC000823656763 607237854 /nfs/dbraw/zinc/23/78/54/607237854.db2.gz HCUIOHPKGAFGNR-UHFFFAOYSA-N -1 3 352.423 3.104 20 0 FGADHM O=c1[nH]c2ccccc2n1CCCSc1ccc(-c2nn[n-]n2)cc1 ZINC000823656763 607237855 /nfs/dbraw/zinc/23/78/55/607237855.db2.gz HCUIOHPKGAFGNR-UHFFFAOYSA-N -1 3 352.423 3.104 20 0 FGADHM CCc1c(C)sc(NC(=O)c2ccnn2C2CCCC2)c1-c1nnn[n-]1 ZINC000821465636 607238034 /nfs/dbraw/zinc/23/80/34/607238034.db2.gz LOTWYIGQCODQPA-UHFFFAOYSA-N -1 3 371.470 3.363 20 0 FGADHM CCc1c(C)sc(NC(=O)c2ccnn2C2CCCC2)c1-c1nn[n-]n1 ZINC000821465636 607238035 /nfs/dbraw/zinc/23/80/35/607238035.db2.gz LOTWYIGQCODQPA-UHFFFAOYSA-N -1 3 371.470 3.363 20 0 FGADHM CCOc1ccc(SCC(=O)N(C)c2ccccc2-c2nnn[n-]2)cc1 ZINC000825642836 607787359 /nfs/dbraw/zinc/78/73/59/607787359.db2.gz CGOGEYGYUZCQNX-UHFFFAOYSA-N -1 3 369.450 3.021 20 0 FGADHM CCOc1ccc(SCC(=O)N(C)c2ccccc2-c2nn[n-]n2)cc1 ZINC000825642836 607787360 /nfs/dbraw/zinc/78/73/60/607787360.db2.gz CGOGEYGYUZCQNX-UHFFFAOYSA-N -1 3 369.450 3.021 20 0 FGADHM CN(C(=O)c1ccc(Oc2cccnc2)cc1)c1ccccc1-c1nnn[n-]1 ZINC000825830229 607788579 /nfs/dbraw/zinc/78/85/79/607788579.db2.gz PFVGHYYWFXBYFY-UHFFFAOYSA-N -1 3 372.388 3.331 20 0 FGADHM CN(C(=O)c1ccc(Oc2cccnc2)cc1)c1ccccc1-c1nn[n-]n1 ZINC000825830229 607788580 /nfs/dbraw/zinc/78/85/80/607788580.db2.gz PFVGHYYWFXBYFY-UHFFFAOYSA-N -1 3 372.388 3.331 20 0 FGADHM C[C@@H](CCc1cccc(F)c1)C(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC000824406497 607788876 /nfs/dbraw/zinc/78/88/76/607788876.db2.gz LOMPTDLSVZDTLJ-ZDUSSCGKSA-N -1 3 353.401 3.238 20 0 FGADHM C[C@@H](CCc1cccc(F)c1)C(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC000824406497 607788877 /nfs/dbraw/zinc/78/88/77/607788877.db2.gz LOMPTDLSVZDTLJ-ZDUSSCGKSA-N -1 3 353.401 3.238 20 0 FGADHM CN(C(=O)c1cccc(-c2cscn2)c1)c1ccccc1-c1nnn[n-]1 ZINC000825829900 607789816 /nfs/dbraw/zinc/78/98/16/607789816.db2.gz KCYHTGCJTBUYEK-UHFFFAOYSA-N -1 3 362.418 3.267 20 0 FGADHM CN(C(=O)c1cccc(-c2cscn2)c1)c1ccccc1-c1nn[n-]n1 ZINC000825829900 607789817 /nfs/dbraw/zinc/78/98/17/607789817.db2.gz KCYHTGCJTBUYEK-UHFFFAOYSA-N -1 3 362.418 3.267 20 0 FGADHM CCN(C(=O)c1cc(Cl)nc(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825380854 607795612 /nfs/dbraw/zinc/79/56/12/607795612.db2.gz VYPGKJOVYJRPFT-UHFFFAOYSA-N -1 3 363.208 3.235 20 0 FGADHM CCN(C(=O)c1cc(Cl)nc(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825380854 607795613 /nfs/dbraw/zinc/79/56/13/607795613.db2.gz VYPGKJOVYJRPFT-UHFFFAOYSA-N -1 3 363.208 3.235 20 0 FGADHM CCN(C(=O)COc1cccc(Cl)c1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825372127 607796652 /nfs/dbraw/zinc/79/66/52/607796652.db2.gz QXBJNWNAVBWCLG-UHFFFAOYSA-N -1 3 371.828 3.260 20 0 FGADHM CCN(C(=O)COc1cccc(Cl)c1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825372127 607796653 /nfs/dbraw/zinc/79/66/53/607796653.db2.gz QXBJNWNAVBWCLG-UHFFFAOYSA-N -1 3 371.828 3.260 20 0 FGADHM CCN(C(=O)c1ccc(OC2CCC2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825385839 607796790 /nfs/dbraw/zinc/79/67/90/607796790.db2.gz TUWVWFCCMDEHPU-UHFFFAOYSA-N -1 3 363.421 3.465 20 0 FGADHM CCN(C(=O)c1ccc(OC2CCC2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825385839 607796791 /nfs/dbraw/zinc/79/67/91/607796791.db2.gz TUWVWFCCMDEHPU-UHFFFAOYSA-N -1 3 363.421 3.465 20 0 FGADHM CCN(C(=O)c1ccc2nc(C)c(C)nc2c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825386179 607799400 /nfs/dbraw/zinc/79/94/00/607799400.db2.gz ZZHJDIDBFKIDMJ-UHFFFAOYSA-N -1 3 373.420 3.093 20 0 FGADHM CCN(C(=O)c1ccc2nc(C)c(C)nc2c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825386179 607799401 /nfs/dbraw/zinc/79/94/01/607799401.db2.gz ZZHJDIDBFKIDMJ-UHFFFAOYSA-N -1 3 373.420 3.093 20 0 FGADHM C(=Cc1ccccc1-c1nnn[n-]1)c1nc(-c2ccc3c(c2)CCO3)no1 ZINC000823861474 607808410 /nfs/dbraw/zinc/80/84/10/607808410.db2.gz JWGGSNOOHFXJKG-VURMDHGXSA-N -1 3 358.361 3.022 20 0 FGADHM C(=Cc1ccccc1-c1nn[n-]n1)c1nc(-c2ccc3c(c2)CCO3)no1 ZINC000823861474 607808411 /nfs/dbraw/zinc/80/84/11/607808411.db2.gz JWGGSNOOHFXJKG-VURMDHGXSA-N -1 3 358.361 3.022 20 0 FGADHM Cc1cc(S[C@H]2CCO[C@@H]2C)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000826272608 607820187 /nfs/dbraw/zinc/82/01/87/607820187.db2.gz SENPXJMFHGHTEQ-RISCZKNCSA-N -1 3 366.450 3.246 20 0 FGADHM Cc1cc(S[C@H]2CCO[C@@H]2C)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC000826272608 607820188 /nfs/dbraw/zinc/82/01/88/607820188.db2.gz SENPXJMFHGHTEQ-RISCZKNCSA-N -1 3 366.450 3.246 20 0 FGADHM CC(C)(C)O[C@H](C(=O)OCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000824119172 607826754 /nfs/dbraw/zinc/82/67/54/607826754.db2.gz CDXULIWPYDYVTO-KRWDZBQOSA-N -1 3 366.421 3.466 20 0 FGADHM CC(C)(C)O[C@H](C(=O)OCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000824119172 607826755 /nfs/dbraw/zinc/82/67/55/607826755.db2.gz CDXULIWPYDYVTO-KRWDZBQOSA-N -1 3 366.421 3.466 20 0 FGADHM C[C@H]1CSc2ccccc2N(C(=O)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000825013643 607831690 /nfs/dbraw/zinc/83/16/90/607831690.db2.gz REMKPRNQKAIWIR-CYBMUJFWSA-N -1 3 365.462 3.184 20 0 FGADHM C[C@H]1CSc2ccccc2N(C(=O)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000825013643 607831691 /nfs/dbraw/zinc/83/16/91/607831691.db2.gz REMKPRNQKAIWIR-CYBMUJFWSA-N -1 3 365.462 3.184 20 0 FGADHM O=C(c1c(Cl)cc(-c2nnn[n-]2)cc1Cl)N1CCc2ccccc2C1 ZINC000826468985 607832758 /nfs/dbraw/zinc/83/27/58/607832758.db2.gz PZHOUMIBTBGKAD-UHFFFAOYSA-N -1 3 374.231 3.372 20 0 FGADHM O=C(c1c(Cl)cc(-c2nn[n-]n2)cc1Cl)N1CCc2ccccc2C1 ZINC000826468985 607832759 /nfs/dbraw/zinc/83/27/59/607832759.db2.gz PZHOUMIBTBGKAD-UHFFFAOYSA-N -1 3 374.231 3.372 20 0 FGADHM Cc1noc(C)c1[C@@H](C)CC(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826338184 607836978 /nfs/dbraw/zinc/83/69/78/607836978.db2.gz NJHBGMLKLSSCLL-CMPLNLGQSA-N -1 3 355.398 3.270 20 0 FGADHM Cc1noc(C)c1[C@@H](C)CC(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826338184 607836979 /nfs/dbraw/zinc/83/69/79/607836979.db2.gz NJHBGMLKLSSCLL-CMPLNLGQSA-N -1 3 355.398 3.270 20 0 FGADHM Clc1cc(-c2nnn[n-]2)ccc1SCc1ccc(-n2ccnc2)nc1 ZINC000826351003 607843939 /nfs/dbraw/zinc/84/39/39/607843939.db2.gz TZTPYTBYTRJPQJ-UHFFFAOYSA-N -1 3 369.841 3.393 20 0 FGADHM Clc1cc(-c2nn[n-]n2)ccc1SCc1ccc(-n2ccnc2)nc1 ZINC000826351003 607843940 /nfs/dbraw/zinc/84/39/40/607843940.db2.gz TZTPYTBYTRJPQJ-UHFFFAOYSA-N -1 3 369.841 3.393 20 0 FGADHM CCC[C@H](C)NC(=O)[C@H](C)Sc1ccc(-c2nnn[n-]2)cc1Cl ZINC000825233517 607844534 /nfs/dbraw/zinc/84/45/34/607844534.db2.gz QJLGAGOKJNRJTB-UWVGGRQHSA-N -1 3 353.879 3.306 20 0 FGADHM CCC[C@H](C)NC(=O)[C@H](C)Sc1ccc(-c2nn[n-]n2)cc1Cl ZINC000825233517 607844535 /nfs/dbraw/zinc/84/45/35/607844535.db2.gz QJLGAGOKJNRJTB-UWVGGRQHSA-N -1 3 353.879 3.306 20 0 FGADHM Cc1ccc(C(=O)N(C)c2cccc(-c3nnn[n-]3)c2)c(Br)c1 ZINC000826281239 607854036 /nfs/dbraw/zinc/85/40/36/607854036.db2.gz KNKVAGWGUOSBPI-UHFFFAOYSA-N -1 3 372.226 3.214 20 0 FGADHM Cc1ccc(C(=O)N(C)c2cccc(-c3nn[n-]n3)c2)c(Br)c1 ZINC000826281239 607854037 /nfs/dbraw/zinc/85/40/37/607854037.db2.gz KNKVAGWGUOSBPI-UHFFFAOYSA-N -1 3 372.226 3.214 20 0 FGADHM Cc1cc(F)ccc1OC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000826268548 607861446 /nfs/dbraw/zinc/86/14/46/607861446.db2.gz BVTQHUAKFVYFON-UHFFFAOYSA-N -1 3 358.398 3.153 20 0 FGADHM Cc1cc(F)ccc1OC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000826268548 607861447 /nfs/dbraw/zinc/86/14/47/607861447.db2.gz BVTQHUAKFVYFON-UHFFFAOYSA-N -1 3 358.398 3.153 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)Nc1nc2ccccc2n1C1CC1 ZINC000826402027 607861882 /nfs/dbraw/zinc/86/18/82/607861882.db2.gz LLWLILAYODEDDV-XFXZXTDPSA-N -1 3 371.404 3.203 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)Nc1nc2ccccc2n1C1CC1 ZINC000826402027 607861883 /nfs/dbraw/zinc/86/18/83/607861883.db2.gz LLWLILAYODEDDV-XFXZXTDPSA-N -1 3 371.404 3.203 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1OC[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000826255460 607876581 /nfs/dbraw/zinc/87/65/81/607876581.db2.gz YRROTOFDXSXQTO-AWEZNQCLSA-N -1 3 364.327 3.306 20 0 FGADHM CCCc1ccc(NCc2cccc(C(=O)OC)c2-c2nnn[n-]2)cc1 ZINC000825348413 607879672 /nfs/dbraw/zinc/87/96/72/607879672.db2.gz JMGXIAFJTHROMY-UHFFFAOYSA-N -1 3 351.410 3.218 20 0 FGADHM CCCc1ccc(NCc2cccc(C(=O)OC)c2-c2nn[n-]n2)cc1 ZINC000825348413 607879673 /nfs/dbraw/zinc/87/96/73/607879673.db2.gz JMGXIAFJTHROMY-UHFFFAOYSA-N -1 3 351.410 3.218 20 0 FGADHM C[C@@H](Cc1cccc(Cl)c1)C(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000824458256 607881051 /nfs/dbraw/zinc/88/10/51/607881051.db2.gz USFYYQLHUVLWSW-ZDUSSCGKSA-N -1 3 369.856 3.357 20 0 FGADHM C[C@@H](Cc1cccc(Cl)c1)C(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000824458256 607881052 /nfs/dbraw/zinc/88/10/52/607881052.db2.gz USFYYQLHUVLWSW-ZDUSSCGKSA-N -1 3 369.856 3.357 20 0 FGADHM Cc1cc(Oc2ccc(-c3nnn[n-]3)cc2)ccc1NC(=O)[C@H]1CCCO1 ZINC000826272170 607886269 /nfs/dbraw/zinc/88/62/69/607886269.db2.gz XDZGSHMYVQCWEE-QGZVFWFLSA-N -1 3 365.393 3.085 20 0 FGADHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1NC(=O)[C@H]1CCCO1 ZINC000826272170 607886270 /nfs/dbraw/zinc/88/62/70/607886270.db2.gz XDZGSHMYVQCWEE-QGZVFWFLSA-N -1 3 365.393 3.085 20 0 FGADHM CCSc1ccccc1OCc1cccc(C(=O)OC)c1-c1nnn[n-]1 ZINC000825673823 607890005 /nfs/dbraw/zinc/89/00/05/607890005.db2.gz CZJROGVLXKYOCN-UHFFFAOYSA-N -1 3 370.434 3.344 20 0 FGADHM CCSc1ccccc1OCc1cccc(C(=O)OC)c1-c1nn[n-]n1 ZINC000825673823 607890006 /nfs/dbraw/zinc/89/00/06/607890006.db2.gz CZJROGVLXKYOCN-UHFFFAOYSA-N -1 3 370.434 3.344 20 0 FGADHM O=C(Cn1ccc(-c2nnn[n-]2)c1)Nc1cccc(Oc2ccccc2)c1 ZINC000826424446 607891870 /nfs/dbraw/zinc/89/18/70/607891870.db2.gz MOTODBMABCJXSP-UHFFFAOYSA-N -1 3 360.377 3.099 20 0 FGADHM O=C(Cn1ccc(-c2nn[n-]n2)c1)Nc1cccc(Oc2ccccc2)c1 ZINC000826424446 607891871 /nfs/dbraw/zinc/89/18/71/607891871.db2.gz MOTODBMABCJXSP-UHFFFAOYSA-N -1 3 360.377 3.099 20 0 FGADHM CC(C)(C)C[C@@H](NC(=O)Cn1ccc(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC000824087597 607892106 /nfs/dbraw/zinc/89/21/06/607892106.db2.gz YOARRWJUHIKGHN-MRXNPFEDSA-N -1 3 370.432 3.101 20 0 FGADHM CC(C)(C)C[C@@H](NC(=O)Cn1ccc(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC000824087597 607892107 /nfs/dbraw/zinc/89/21/07/607892107.db2.gz YOARRWJUHIKGHN-MRXNPFEDSA-N -1 3 370.432 3.101 20 0 FGADHM CC(C)CSCCCNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000824274071 607904961 /nfs/dbraw/zinc/90/49/61/607904961.db2.gz CXUCIOKOYQKQRI-UHFFFAOYSA-N -1 3 360.409 3.472 20 0 FGADHM CC(C)CSCCCNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000824274071 607904962 /nfs/dbraw/zinc/90/49/62/607904962.db2.gz CXUCIOKOYQKQRI-UHFFFAOYSA-N -1 3 360.409 3.472 20 0 FGADHM O=C(COC(=O)c1occc1-c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826416904 607943413 /nfs/dbraw/zinc/94/34/13/607943413.db2.gz VZOCFYSQRAATJR-UHFFFAOYSA-N -1 3 374.356 3.166 20 0 FGADHM O=C(COC(=O)c1occc1-c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826416904 607943414 /nfs/dbraw/zinc/94/34/14/607943414.db2.gz VZOCFYSQRAATJR-UHFFFAOYSA-N -1 3 374.356 3.166 20 0 FGADHM Cc1ccc([C@@H]2C[C@@H](OC(=O)c3cccc(-c4nnn[n-]4)c3)CCO2)cc1 ZINC000826285108 607948743 /nfs/dbraw/zinc/94/87/43/607948743.db2.gz PPTWTLQFEXFMRU-ROUUACIJSA-N -1 3 364.405 3.252 20 0 FGADHM Cc1ccc([C@@H]2C[C@@H](OC(=O)c3cccc(-c4nn[n-]n4)c3)CCO2)cc1 ZINC000826285108 607948744 /nfs/dbraw/zinc/94/87/44/607948744.db2.gz PPTWTLQFEXFMRU-ROUUACIJSA-N -1 3 364.405 3.252 20 0 FGADHM O=C(C=Cc1nc2ccccc2s1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826403673 607952053 /nfs/dbraw/zinc/95/20/53/607952053.db2.gz YXOHXVKQHMWURH-BQYQJAHWSA-N -1 3 374.429 3.079 20 0 FGADHM O=C(C=Cc1nc2ccccc2s1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826403673 607952054 /nfs/dbraw/zinc/95/20/54/607952054.db2.gz YXOHXVKQHMWURH-BQYQJAHWSA-N -1 3 374.429 3.079 20 0 FGADHM COc1ccc(CNc2ccc(-c3nn[n-]n3)cc2Br)cc1 ZINC000826203882 607987681 /nfs/dbraw/zinc/98/76/81/607987681.db2.gz KFJPVPVAFMVMLJ-UHFFFAOYSA-N -1 3 360.215 3.250 20 0 FGADHM CC1(C)CN(C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)Cc2ccccc21 ZINC000824808570 608006832 /nfs/dbraw/zinc/00/68/32/608006832.db2.gz VPYJHSGUVDOACO-UHFFFAOYSA-N -1 3 369.375 3.079 20 0 FGADHM CC1(C)CN(C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)Cc2ccccc21 ZINC000824808570 608006833 /nfs/dbraw/zinc/00/68/33/608006833.db2.gz VPYJHSGUVDOACO-UHFFFAOYSA-N -1 3 369.375 3.079 20 0 FGADHM CC(=O)c1ccc(NC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1C ZINC000824024568 608009752 /nfs/dbraw/zinc/00/97/52/608009752.db2.gz KCQPPOSRGTZNDQ-GFCCVEGCSA-N -1 3 364.409 3.260 20 0 FGADHM CC(=O)c1ccc(NC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1C ZINC000824024568 608009753 /nfs/dbraw/zinc/00/97/53/608009753.db2.gz KCQPPOSRGTZNDQ-GFCCVEGCSA-N -1 3 364.409 3.260 20 0 FGADHM C[C@H](CNc1ccc(-c2nn[n-]n2)cc1F)c1nc(-c2ccccc2)no1 ZINC000824426378 608016918 /nfs/dbraw/zinc/01/69/18/608016918.db2.gz DSSTZAWTXLXGQF-LLVKDONJSA-N -1 3 365.372 3.271 20 0 FGADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cccc(-c2ccoc2)c1 ZINC000825958378 608023692 /nfs/dbraw/zinc/02/36/92/608023692.db2.gz TZQIAQLGLOXJMW-UHFFFAOYSA-N -1 3 359.389 3.399 20 0 FGADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cccc(-c2ccoc2)c1 ZINC000825958378 608023693 /nfs/dbraw/zinc/02/36/93/608023693.db2.gz TZQIAQLGLOXJMW-UHFFFAOYSA-N -1 3 359.389 3.399 20 0 FGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)c1scnc1C1CC1 ZINC000824324243 608025282 /nfs/dbraw/zinc/02/52/82/608025282.db2.gz JTVAOORJINATER-UHFFFAOYSA-N -1 3 370.438 3.240 20 0 FGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)c1scnc1C1CC1 ZINC000824324243 608025283 /nfs/dbraw/zinc/02/52/83/608025283.db2.gz JTVAOORJINATER-UHFFFAOYSA-N -1 3 370.438 3.240 20 0 FGADHM C[C@H](NC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)c1ccc[nH]1 ZINC000824522370 608026052 /nfs/dbraw/zinc/02/60/52/608026052.db2.gz RJWXAAMGCIVSRM-ZDUSSCGKSA-N -1 3 374.404 3.478 20 0 FGADHM C[C@H](NC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)c1ccc[nH]1 ZINC000824522370 608026053 /nfs/dbraw/zinc/02/60/53/608026053.db2.gz RJWXAAMGCIVSRM-ZDUSSCGKSA-N -1 3 374.404 3.478 20 0 FGADHM Cc1ncc(-c2ccccc2)cc1NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826329759 608027194 /nfs/dbraw/zinc/02/71/94/608027194.db2.gz QUONFPLBOKGWJP-UHFFFAOYSA-N -1 3 356.389 3.489 20 0 FGADHM Cc1ncc(-c2ccccc2)cc1NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826329759 608027195 /nfs/dbraw/zinc/02/71/95/608027195.db2.gz QUONFPLBOKGWJP-UHFFFAOYSA-N -1 3 356.389 3.489 20 0 FGADHM CC[C@H](C)n1ncc(C(=O)OCc2cccc(-c3nnn[n-]3)c2)c1C1CC1 ZINC000825082937 608029642 /nfs/dbraw/zinc/02/96/42/608029642.db2.gz WBJPWOWLHCJVHQ-LBPRGKRZSA-N -1 3 366.425 3.269 20 0 FGADHM CC[C@H](C)n1ncc(C(=O)OCc2cccc(-c3nn[n-]n3)c2)c1C1CC1 ZINC000825082937 608029643 /nfs/dbraw/zinc/02/96/43/608029643.db2.gz WBJPWOWLHCJVHQ-LBPRGKRZSA-N -1 3 366.425 3.269 20 0 FGADHM COc1ccnc(NC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)c1 ZINC000826221032 608040471 /nfs/dbraw/zinc/04/04/71/608040471.db2.gz LROBUKGKXCSYGI-UHFFFAOYSA-N -1 3 372.388 3.190 20 0 FGADHM COc1ccnc(NC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)c1 ZINC000826221032 608040472 /nfs/dbraw/zinc/04/04/72/608040472.db2.gz LROBUKGKXCSYGI-UHFFFAOYSA-N -1 3 372.388 3.190 20 0 FGADHM Brc1cc(-c2nn[n-]n2)ccc1NCCc1ccsc1 ZINC000823826334 608047574 /nfs/dbraw/zinc/04/75/74/608047574.db2.gz HUMUWDRUNFTIPA-UHFFFAOYSA-N -1 3 350.245 3.345 20 0 FGADHM O=C(c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1)N1CCC1 ZINC000826473449 608049626 /nfs/dbraw/zinc/04/96/26/608049626.db2.gz YLEJOXKETANCII-UHFFFAOYSA-N -1 3 355.785 3.158 20 0 FGADHM O=C(c1ccc(Oc2ccccc2-c2nn[n-]n2)c(Cl)c1)N1CCC1 ZINC000826473449 608049627 /nfs/dbraw/zinc/04/96/27/608049627.db2.gz YLEJOXKETANCII-UHFFFAOYSA-N -1 3 355.785 3.158 20 0 FGADHM Brc1cc(-c2nn[n-]n2)ccc1NCCOCc1ccccc1 ZINC000823826026 608050316 /nfs/dbraw/zinc/05/03/16/608050316.db2.gz AILUNQDKUNBRFN-UHFFFAOYSA-N -1 3 374.242 3.258 20 0 FGADHM COCCC1(CNc2ccc(-c3nn[n-]n3)cc2Br)CCC1 ZINC000826155371 608051442 /nfs/dbraw/zinc/05/14/42/608051442.db2.gz NUFZRULEUOYQHX-UHFFFAOYSA-N -1 3 366.263 3.248 20 0 FGADHM COc1ccc(CSc2ncnc3sc(C)cc32)cc1-c1nnn[n-]1 ZINC000826208009 608056289 /nfs/dbraw/zinc/05/62/89/608056289.db2.gz OSZHTKNXBBNJKD-UHFFFAOYSA-N -1 3 370.463 3.481 20 0 FGADHM COc1ccc(CSc2ncnc3sc(C)cc32)cc1-c1nn[n-]n1 ZINC000826208009 608056290 /nfs/dbraw/zinc/05/62/90/608056290.db2.gz OSZHTKNXBBNJKD-UHFFFAOYSA-N -1 3 370.463 3.481 20 0 FGADHM C[C@@H](c1ccc(F)cc1)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824761756 608068624 /nfs/dbraw/zinc/06/86/24/608068624.db2.gz CGZFNIQCMDLRQF-SCLBCKFNSA-N -1 3 353.401 3.140 20 0 FGADHM Fc1cccc(Cl)c1CN1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826377536 608070649 /nfs/dbraw/zinc/07/06/49/608070649.db2.gz WJGBUHBFMUJGBU-KRWDZBQOSA-N -1 3 373.819 3.233 20 0 FGADHM Fc1cccc(Cl)c1CN1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826377536 608070650 /nfs/dbraw/zinc/07/06/50/608070650.db2.gz WJGBUHBFMUJGBU-KRWDZBQOSA-N -1 3 373.819 3.233 20 0 FGADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Oc1ccc(Cl)c(F)c1 ZINC000824739722 608073834 /nfs/dbraw/zinc/07/38/34/608073834.db2.gz ZTIMXJHLVBCGGF-VIFPVBQESA-N -1 3 362.748 3.032 20 0 FGADHM O[C@H](CNc1cc(Cl)ccc1-c1nnn[n-]1)c1ccc(Cl)c(F)c1 ZINC000826503321 608099762 /nfs/dbraw/zinc/09/97/62/608099762.db2.gz VIXRHOWFXDQPHK-CQSZACIVSA-N -1 3 368.199 3.458 20 0 FGADHM O[C@H](CNc1cc(Cl)ccc1-c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000826503321 608099763 /nfs/dbraw/zinc/09/97/63/608099763.db2.gz VIXRHOWFXDQPHK-CQSZACIVSA-N -1 3 368.199 3.458 20 0 FGADHM C[C@@H](C(=O)OCc1ccc(-c2nnn[n-]2)cc1F)c1c(F)cccc1F ZINC000824052523 608117159 /nfs/dbraw/zinc/11/71/59/608117159.db2.gz OTYMCIPRKBSHHW-SECBINFHSA-N -1 3 362.311 3.131 20 0 FGADHM C[C@@H](C(=O)OCc1ccc(-c2nn[n-]n2)cc1F)c1c(F)cccc1F ZINC000824052523 608117160 /nfs/dbraw/zinc/11/71/60/608117160.db2.gz OTYMCIPRKBSHHW-SECBINFHSA-N -1 3 362.311 3.131 20 0 FGADHM COc1ccccc1OC[C@@H](C)CNc1ccc(F)cc1-c1nnn[n-]1 ZINC000826220236 608124394 /nfs/dbraw/zinc/12/43/94/608124394.db2.gz GWJRRBSPKPIINZ-LBPRGKRZSA-N -1 3 357.389 3.141 20 0 FGADHM COc1ccccc1OC[C@@H](C)CNc1ccc(F)cc1-c1nn[n-]n1 ZINC000826220236 608124395 /nfs/dbraw/zinc/12/43/95/608124395.db2.gz GWJRRBSPKPIINZ-LBPRGKRZSA-N -1 3 357.389 3.141 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)O[C@H]1CCOc2c(Cl)cccc21 ZINC000826423454 608128718 /nfs/dbraw/zinc/12/87/18/608128718.db2.gz PSBBLWMAOMMUSD-HNNXBMFYSA-N -1 3 370.796 3.130 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)O[C@H]1CCOc2c(Cl)cccc21 ZINC000826423454 608128719 /nfs/dbraw/zinc/12/87/19/608128719.db2.gz PSBBLWMAOMMUSD-HNNXBMFYSA-N -1 3 370.796 3.130 20 0 FGADHM COCCOc1ccc(-c2nnn[n-]2)cc1NC[C@H]1C[C@H]1c1ccccc1 ZINC000826162205 608135747 /nfs/dbraw/zinc/13/57/47/608135747.db2.gz RWUIBABSNGOBBC-SJORKVTESA-N -1 3 365.437 3.108 20 0 FGADHM COCCOc1ccc(-c2nn[n-]n2)cc1NC[C@H]1C[C@H]1c1ccccc1 ZINC000826162205 608135748 /nfs/dbraw/zinc/13/57/48/608135748.db2.gz RWUIBABSNGOBBC-SJORKVTESA-N -1 3 365.437 3.108 20 0 FGADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)CCCC(F)(F)F ZINC000826167600 608150679 /nfs/dbraw/zinc/15/06/79/608150679.db2.gz KSXSNZJJYONFTP-UHFFFAOYSA-N -1 3 364.711 3.167 20 0 FGADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)CCCC(F)(F)F ZINC000826167600 608150682 /nfs/dbraw/zinc/15/06/82/608150682.db2.gz KSXSNZJJYONFTP-UHFFFAOYSA-N -1 3 364.711 3.167 20 0 FGADHM COc1ccc([C@H](C)OC(=O)CSc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826211796 608168315 /nfs/dbraw/zinc/16/83/15/608168315.db2.gz VBTMRAJRDRIWIO-LBPRGKRZSA-N -1 3 370.434 3.272 20 0 FGADHM COc1ccc([C@H](C)OC(=O)CSc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826211796 608168317 /nfs/dbraw/zinc/16/83/17/608168317.db2.gz VBTMRAJRDRIWIO-LBPRGKRZSA-N -1 3 370.434 3.272 20 0 FGADHM O=C(Nc1ccc(CNc2ccccc2)cc1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826453549 608171318 /nfs/dbraw/zinc/17/13/18/608171318.db2.gz OPNZBHMDIWWOHG-UHFFFAOYSA-N -1 3 359.393 3.059 20 0 FGADHM O=C(Nc1ccc(CNc2ccccc2)cc1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826453549 608171319 /nfs/dbraw/zinc/17/13/19/608171319.db2.gz OPNZBHMDIWWOHG-UHFFFAOYSA-N -1 3 359.393 3.059 20 0 FGADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)C[C@@H]1CC[C@@H](C)C1 ZINC000825787463 608178359 /nfs/dbraw/zinc/17/83/59/608178359.db2.gz GLUGIDGDOWSLDR-VXGBXAGGSA-N -1 3 353.430 3.001 20 0 FGADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)C[C@@H]1CC[C@@H](C)C1 ZINC000825787463 608178361 /nfs/dbraw/zinc/17/83/61/608178361.db2.gz GLUGIDGDOWSLDR-VXGBXAGGSA-N -1 3 353.430 3.001 20 0 FGADHM C[C@H](OC(=O)C(F)(F)c1ccc(F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824706167 608181284 /nfs/dbraw/zinc/18/12/84/608181284.db2.gz HFAOFHQEHNYOJX-JTQLQIEISA-N -1 3 362.311 3.402 20 0 FGADHM C[C@H](OC(=O)C(F)(F)c1ccc(F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824706167 608181286 /nfs/dbraw/zinc/18/12/86/608181286.db2.gz HFAOFHQEHNYOJX-JTQLQIEISA-N -1 3 362.311 3.402 20 0 FGADHM C[C@H](OC(=O)c1sccc1OC(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000824729978 608182454 /nfs/dbraw/zinc/18/24/54/608182454.db2.gz MBBPBLNDOFGEFU-QMMMGPOBSA-N -1 3 366.349 3.448 20 0 FGADHM C[C@H](OC(=O)c1sccc1OC(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000824729978 608182456 /nfs/dbraw/zinc/18/24/56/608182456.db2.gz MBBPBLNDOFGEFU-QMMMGPOBSA-N -1 3 366.349 3.448 20 0 FGADHM C[C@H](OC(=O)C(C)(C)Oc1ccc(F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824706022 608182951 /nfs/dbraw/zinc/18/29/51/608182951.db2.gz FUSJONUXIUXLRB-LBPRGKRZSA-N -1 3 370.384 3.468 20 0 FGADHM C[C@H](OC(=O)C(C)(C)Oc1ccc(F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824706022 608182953 /nfs/dbraw/zinc/18/29/53/608182953.db2.gz FUSJONUXIUXLRB-LBPRGKRZSA-N -1 3 370.384 3.468 20 0 FGADHM COc1cc(Cl)ccc1C(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826179918 608185450 /nfs/dbraw/zinc/18/54/50/608185450.db2.gz KVVGXPNUDPRRAO-JTQLQIEISA-N -1 3 358.785 3.447 20 0 FGADHM COc1cc(Cl)ccc1C(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826179918 608185452 /nfs/dbraw/zinc/18/54/52/608185452.db2.gz KVVGXPNUDPRRAO-JTQLQIEISA-N -1 3 358.785 3.447 20 0 FGADHM Brc1ccc(Oc2nc(C3CC3)ns2)c(-c2nnn[n-]2)c1 ZINC000823832472 608189769 /nfs/dbraw/zinc/18/97/69/608189769.db2.gz PDDUPSPLRMLDDC-UHFFFAOYSA-N -1 3 365.216 3.150 20 0 FGADHM Brc1ccc(Oc2nc(C3CC3)ns2)c(-c2nn[n-]n2)c1 ZINC000823832472 608189771 /nfs/dbraw/zinc/18/97/71/608189771.db2.gz PDDUPSPLRMLDDC-UHFFFAOYSA-N -1 3 365.216 3.150 20 0 FGADHM C[C@H]1CCC[C@H](C)N1C(=O)CSc1cccc(Cl)c1-c1nnn[n-]1 ZINC000824927477 608205879 /nfs/dbraw/zinc/20/58/79/608205879.db2.gz OUNTVELGJDLDTL-QWRGUYRKSA-N -1 3 365.890 3.402 20 0 FGADHM C[C@H]1CCC[C@H](C)N1C(=O)CSc1cccc(Cl)c1-c1nn[n-]n1 ZINC000824927477 608205880 /nfs/dbraw/zinc/20/58/80/608205880.db2.gz OUNTVELGJDLDTL-QWRGUYRKSA-N -1 3 365.890 3.402 20 0 FGADHM C[C@H](CC(=O)NCc1cccc(-c2nnn[n-]2)c1)Cc1ccc(Cl)cc1 ZINC000824385065 608219467 /nfs/dbraw/zinc/21/94/67/608219467.db2.gz KXDHPOGBKKSERD-ZDUSSCGKSA-N -1 3 369.856 3.405 20 0 FGADHM C[C@H](CC(=O)NCc1cccc(-c2nn[n-]n2)c1)Cc1ccc(Cl)cc1 ZINC000824385065 608219469 /nfs/dbraw/zinc/21/94/69/608219469.db2.gz KXDHPOGBKKSERD-ZDUSSCGKSA-N -1 3 369.856 3.405 20 0 FGADHM CC1(C)[C@H](Nc2ccc3cc(-c4nnn[n-]4)ccc3n2)[C@@H]2CCCO[C@@H]21 ZINC000824790764 608229709 /nfs/dbraw/zinc/22/97/09/608229709.db2.gz QIQOZMKIRDSXJR-XKQJLSEDSA-N -1 3 350.426 3.030 20 0 FGADHM CC1(C)[C@H](Nc2ccc3cc(-c4nn[n-]n4)ccc3n2)[C@@H]2CCCO[C@@H]21 ZINC000824790764 608229711 /nfs/dbraw/zinc/22/97/11/608229711.db2.gz QIQOZMKIRDSXJR-XKQJLSEDSA-N -1 3 350.426 3.030 20 0 FGADHM c1ccc(C[C@@H]2CCN(c3ccc4cc(-c5nnn[n-]5)ccc4n3)C2)cc1 ZINC000826520768 608231230 /nfs/dbraw/zinc/23/12/30/608231230.db2.gz QVCSAZCUFLCNJZ-INIZCTEOSA-N -1 3 356.433 3.484 20 0 FGADHM c1ccc(C[C@@H]2CCN(c3ccc4cc(-c5nn[n-]n5)ccc4n3)C2)cc1 ZINC000826520768 608231231 /nfs/dbraw/zinc/23/12/31/608231231.db2.gz QVCSAZCUFLCNJZ-INIZCTEOSA-N -1 3 356.433 3.484 20 0 FGADHM CC(C)(CNc1ccc2cc(-c3nnn[n-]3)ccc2n1)[C@H]1CCCCO1 ZINC000824157109 608233087 /nfs/dbraw/zinc/23/30/87/608233087.db2.gz AAHVLZRHKNPUMC-MRXNPFEDSA-N -1 3 352.442 3.422 20 0 FGADHM CC(C)(CNc1ccc2cc(-c3nn[n-]n3)ccc2n1)[C@H]1CCCCO1 ZINC000824157109 608233089 /nfs/dbraw/zinc/23/30/89/608233089.db2.gz AAHVLZRHKNPUMC-MRXNPFEDSA-N -1 3 352.442 3.422 20 0 FGADHM c1cncc(C2CCN(c3ccc4cc(-c5nnn[n-]5)ccc4n3)CC2)c1 ZINC000826525571 608236871 /nfs/dbraw/zinc/23/68/71/608236871.db2.gz PXJQXADLURQGMU-UHFFFAOYSA-N -1 3 357.421 3.194 20 0 FGADHM c1cncc(C2CCN(c3ccc4cc(-c5nn[n-]n5)ccc4n3)CC2)c1 ZINC000826525571 608236872 /nfs/dbraw/zinc/23/68/72/608236872.db2.gz PXJQXADLURQGMU-UHFFFAOYSA-N -1 3 357.421 3.194 20 0 FGADHM Cc1cccc([C@H](NC(=O)c2cccc(-c3nnn[n-]3)c2)c2ccccn2)c1 ZINC000826296960 608246126 /nfs/dbraw/zinc/24/61/26/608246126.db2.gz PUBOWONPAQLCPH-IBGZPJMESA-N -1 3 370.416 3.090 20 0 FGADHM Cc1cccc([C@H](NC(=O)c2cccc(-c3nn[n-]n3)c2)c2ccccn2)c1 ZINC000826296960 608246128 /nfs/dbraw/zinc/24/61/28/608246128.db2.gz PUBOWONPAQLCPH-IBGZPJMESA-N -1 3 370.416 3.090 20 0 FGADHM CC(C)(C)Oc1cc(F)ccc1NC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000824119022 608250688 /nfs/dbraw/zinc/25/06/88/608250688.db2.gz ADOPIRQRDXTTNT-UHFFFAOYSA-N -1 3 369.400 3.364 20 0 FGADHM CC(C)(C)Oc1cc(F)ccc1NC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000824119022 608250689 /nfs/dbraw/zinc/25/06/89/608250689.db2.gz ADOPIRQRDXTTNT-UHFFFAOYSA-N -1 3 369.400 3.364 20 0 FGADHM CCSc1nnc(SCc2ccc(-c3nnn[n-]3)cc2OC)s1 ZINC000825679741 608260635 /nfs/dbraw/zinc/26/06/35/608260635.db2.gz CUBBHNNWNQIBFU-UHFFFAOYSA-N -1 3 366.497 3.131 20 0 FGADHM CCSc1nnc(SCc2ccc(-c3nn[n-]n3)cc2OC)s1 ZINC000825679741 608260637 /nfs/dbraw/zinc/26/06/37/608260637.db2.gz CUBBHNNWNQIBFU-UHFFFAOYSA-N -1 3 366.497 3.131 20 0 FGADHM C[C@@H](C(=O)Nc1ccccc1-c1nnn[n-]1)c1ccc(Br)cc1 ZINC000824045157 608261809 /nfs/dbraw/zinc/26/18/09/608261809.db2.gz HKDFKQROMSCVQN-SNVBAGLBSA-N -1 3 372.226 3.371 20 0 FGADHM C[C@@H](C(=O)Nc1ccccc1-c1nn[n-]n1)c1ccc(Br)cc1 ZINC000824045157 608261811 /nfs/dbraw/zinc/26/18/11/608261811.db2.gz HKDFKQROMSCVQN-SNVBAGLBSA-N -1 3 372.226 3.371 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)c(NCc2ccccc2OC(F)(F)F)n1 ZINC000826277387 608271490 /nfs/dbraw/zinc/27/14/90/608271490.db2.gz SGNVAPKIATVJHX-UHFFFAOYSA-N -1 3 350.304 3.081 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)c(NCc2ccccc2OC(F)(F)F)n1 ZINC000826277387 608271491 /nfs/dbraw/zinc/27/14/91/608271491.db2.gz SGNVAPKIATVJHX-UHFFFAOYSA-N -1 3 350.304 3.081 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)c(N(C)C[C@H]2CCCO[C@@H]2c2ccccc2)n1 ZINC000826273772 608280014 /nfs/dbraw/zinc/28/00/14/608280014.db2.gz SWOSTJVGVKLIFN-SJLPKXTDSA-N -1 3 364.453 3.174 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)c(N(C)C[C@H]2CCCO[C@@H]2c2ccccc2)n1 ZINC000826273772 608280016 /nfs/dbraw/zinc/28/00/16/608280016.db2.gz SWOSTJVGVKLIFN-SJLPKXTDSA-N -1 3 364.453 3.174 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)c(N[C@H]2CCc3c2cccc3Br)n1 ZINC000826275463 608281751 /nfs/dbraw/zinc/28/17/51/608281751.db2.gz AKXNLOFUOHZRRH-AWEZNQCLSA-N -1 3 371.242 3.432 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)c(N[C@H]2CCc3c2cccc3Br)n1 ZINC000826275463 608281752 /nfs/dbraw/zinc/28/17/52/608281752.db2.gz AKXNLOFUOHZRRH-AWEZNQCLSA-N -1 3 371.242 3.432 20 0 FGADHM C[C@H]1CN(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CC[C@@H]1C ZINC000824949085 608302507 /nfs/dbraw/zinc/30/25/07/608302507.db2.gz WKVFHYPGJPVCLM-UWVGGRQHSA-N -1 3 368.363 3.395 20 0 FGADHM C[C@H]1CN(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CC[C@@H]1C ZINC000824949085 608302509 /nfs/dbraw/zinc/30/25/09/608302509.db2.gz WKVFHYPGJPVCLM-UWVGGRQHSA-N -1 3 368.363 3.395 20 0 FGADHM C[C@H](NC(=O)Nc1ccc(F)cc1-c1nnn[n-]1)c1cccc(F)c1F ZINC000824505844 608306023 /nfs/dbraw/zinc/30/60/23/608306023.db2.gz IGZZUPZBTNQDMD-QMMMGPOBSA-N -1 3 362.315 3.167 20 0 FGADHM C[C@H](NC(=O)Nc1ccc(F)cc1-c1nn[n-]n1)c1cccc(F)c1F ZINC000824505844 608306025 /nfs/dbraw/zinc/30/60/25/608306025.db2.gz IGZZUPZBTNQDMD-QMMMGPOBSA-N -1 3 362.315 3.167 20 0 FGADHM C[C@@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1cccc(F)c1F ZINC000824478775 608314159 /nfs/dbraw/zinc/31/41/59/608314159.db2.gz IJNKVQIVTMXFHE-DWOQACPDSA-N -1 3 355.348 3.036 20 0 FGADHM C[C@@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1cccc(F)c1F ZINC000824478775 608314161 /nfs/dbraw/zinc/31/41/61/608314161.db2.gz IJNKVQIVTMXFHE-DWOQACPDSA-N -1 3 355.348 3.036 20 0 FGADHM CCOC(=O)Nc1cccc(OCc2ccc(-c3nnn[n-]3)cc2OC)c1 ZINC000825553046 608321741 /nfs/dbraw/zinc/32/17/41/608321741.db2.gz JNKCYOYIIYOPQQ-UHFFFAOYSA-N -1 3 369.381 3.023 20 0 FGADHM CCOC(=O)Nc1cccc(OCc2ccc(-c3nn[n-]n3)cc2OC)c1 ZINC000825553046 608321743 /nfs/dbraw/zinc/32/17/43/608321743.db2.gz JNKCYOYIIYOPQQ-UHFFFAOYSA-N -1 3 369.381 3.023 20 0 FGADHM CS/C=C\C(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000826227106 608328093 /nfs/dbraw/zinc/32/80/93/608328093.db2.gz LTNROIYWZXDODT-KHPPLWFESA-N -1 3 351.435 3.027 20 0 FGADHM CS/C=C\C(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000826227106 608328094 /nfs/dbraw/zinc/32/80/94/608328094.db2.gz LTNROIYWZXDODT-KHPPLWFESA-N -1 3 351.435 3.027 20 0 FGADHM Cc1ccncc1[C@@H](C)OC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000826315710 608334540 /nfs/dbraw/zinc/33/45/40/608334540.db2.gz QXZOFPHSVPWHKX-CYBMUJFWSA-N -1 3 367.409 3.032 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)c1c(F)cccc1Cl ZINC000826172180 608345760 /nfs/dbraw/zinc/34/57/60/608345760.db2.gz RKFMDJZHQXVWSA-UHFFFAOYSA-N -1 3 362.748 3.025 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)c1c(F)cccc1Cl ZINC000826172180 608345762 /nfs/dbraw/zinc/34/57/62/608345762.db2.gz RKFMDJZHQXVWSA-UHFFFAOYSA-N -1 3 362.748 3.025 20 0 FGADHM CCO[C@H](CC(=O)N(CC)c1ccc(-c2nnn[n-]2)c(Cl)c1)C(C)C ZINC000825577387 608347388 /nfs/dbraw/zinc/34/73/88/608347388.db2.gz VWHPSLOQJXTIAU-OAHLLOKOSA-N -1 3 365.865 3.324 20 0 FGADHM CCO[C@H](CC(=O)N(CC)c1ccc(-c2nn[n-]n2)c(Cl)c1)C(C)C ZINC000825577387 608347390 /nfs/dbraw/zinc/34/73/90/608347390.db2.gz VWHPSLOQJXTIAU-OAHLLOKOSA-N -1 3 365.865 3.324 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)[C@H](C)c1cccc(Cl)c1 ZINC000826170636 608359941 /nfs/dbraw/zinc/35/99/41/608359941.db2.gz JCFQFWYJROFRBW-LLVKDONJSA-N -1 3 372.812 3.376 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)[C@H](C)c1cccc(Cl)c1 ZINC000826170636 608359943 /nfs/dbraw/zinc/35/99/43/608359943.db2.gz JCFQFWYJROFRBW-LLVKDONJSA-N -1 3 372.812 3.376 20 0 FGADHM C[C@H](O)c1ccc(CNc2ccc(-c3nn[n-]n3)cc2Br)cc1 ZINC000824705858 608372528 /nfs/dbraw/zinc/37/25/28/608372528.db2.gz FQIFMYFZGPYKHH-JTQLQIEISA-N -1 3 374.242 3.295 20 0 FGADHM c1[nH]c(CNc2cc(-c3nnn[n-]3)c3ccccc3n2)nc1-c1ccccc1 ZINC000826519395 608376805 /nfs/dbraw/zinc/37/68/05/608376805.db2.gz WWXFUHPPWIJTHH-UHFFFAOYSA-N -1 3 368.404 3.417 20 0 FGADHM c1[nH]c(CNc2cc(-c3nn[n-]n3)c3ccccc3n2)nc1-c1ccccc1 ZINC000826519395 608376806 /nfs/dbraw/zinc/37/68/06/608376806.db2.gz WWXFUHPPWIJTHH-UHFFFAOYSA-N -1 3 368.404 3.417 20 0 FGADHM C[C@H]1CN(C(=O)c2c(Cl)cc(-c3nnn[n-]3)cc2Cl)CC[C@@H]1C ZINC000824946434 608383385 /nfs/dbraw/zinc/38/33/85/608383385.db2.gz JJQWFPJOOUQGRD-IUCAKERBSA-N -1 3 354.241 3.292 20 0 FGADHM C[C@H]1CN(C(=O)c2c(Cl)cc(-c3nn[n-]n3)cc2Cl)CC[C@@H]1C ZINC000824946434 608383387 /nfs/dbraw/zinc/38/33/87/608383387.db2.gz JJQWFPJOOUQGRD-IUCAKERBSA-N -1 3 354.241 3.292 20 0 FGADHM COCCN(Cc1ccc(C)cc1C)Cc1cccc(-c2nnn[n-]2)c1F ZINC000826159147 608389002 /nfs/dbraw/zinc/38/90/02/608389002.db2.gz SRALDOGGZDYTIK-UHFFFAOYSA-N -1 3 369.444 3.271 20 0 FGADHM CC[C@@H](NC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1)C(C)C ZINC000825133030 608397910 /nfs/dbraw/zinc/39/79/10/608397910.db2.gz HOYGOKCFWAAULF-QGZVFWFLSA-N -1 3 354.458 3.100 20 0 FGADHM CC[C@@H](NC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1)C(C)C ZINC000825133030 608397912 /nfs/dbraw/zinc/39/79/12/608397912.db2.gz HOYGOKCFWAAULF-QGZVFWFLSA-N -1 3 354.458 3.100 20 0 FGADHM CC[C@H](NCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)c1ccccc1 ZINC000825146508 608430379 /nfs/dbraw/zinc/43/03/79/608430379.db2.gz CNCRTGJNEJQEBT-INIZCTEOSA-N -1 3 361.409 3.158 20 0 FGADHM CC[C@H](NCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)c1ccccc1 ZINC000825149376 608430542 /nfs/dbraw/zinc/43/05/42/608430542.db2.gz XOATZEMQCYATJU-INIZCTEOSA-N -1 3 361.409 3.158 20 0 FGADHM CC[C@H](NCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)c1ccccc1 ZINC000825149376 608430543 /nfs/dbraw/zinc/43/05/43/608430543.db2.gz XOATZEMQCYATJU-INIZCTEOSA-N -1 3 361.409 3.158 20 0 FGADHM Cc1cc(C)c(OCC(=O)OCc2cccc(-c3nnn[n-]3)c2F)c(C)c1 ZINC000826263697 608438602 /nfs/dbraw/zinc/43/86/02/608438602.db2.gz MSRDEAAVXKNUEE-UHFFFAOYSA-N -1 3 370.384 3.053 20 0 FGADHM Cc1cc(C)c(OCC(=O)OCc2cccc(-c3nn[n-]n3)c2F)c(C)c1 ZINC000826263697 608438604 /nfs/dbraw/zinc/43/86/04/608438604.db2.gz MSRDEAAVXKNUEE-UHFFFAOYSA-N -1 3 370.384 3.053 20 0 FGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000826466154 608448572 /nfs/dbraw/zinc/44/85/72/608448572.db2.gz QOIQQURHRVMRRO-CHWSQXEVSA-N -1 3 374.322 3.131 20 0 FGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000826466154 608448573 /nfs/dbraw/zinc/44/85/73/608448573.db2.gz QOIQQURHRVMRRO-CHWSQXEVSA-N -1 3 374.322 3.131 20 0 FGADHM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826316386 608453559 /nfs/dbraw/zinc/45/35/59/608453559.db2.gz MPOYDZKFGQMVQT-OLZOCXBDSA-N -1 3 358.398 3.223 20 0 FGADHM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826316386 608453560 /nfs/dbraw/zinc/45/35/60/608453560.db2.gz MPOYDZKFGQMVQT-OLZOCXBDSA-N -1 3 358.398 3.223 20 0 FGADHM CC(C)(C)[C@@H](OC(=O)C=Cc1ccccc1-c1nnn[n-]1)C(F)(F)F ZINC000824071521 608454757 /nfs/dbraw/zinc/45/47/57/608454757.db2.gz JNZIGACWMFMVCQ-MYSGNRETSA-N -1 3 354.332 3.400 20 0 FGADHM CC(C)(C)[C@@H](OC(=O)C=Cc1ccccc1-c1nn[n-]n1)C(F)(F)F ZINC000824071521 608454759 /nfs/dbraw/zinc/45/47/59/608454759.db2.gz JNZIGACWMFMVCQ-MYSGNRETSA-N -1 3 354.332 3.400 20 0 FGADHM C[C@H](NCc1cc(-c2cccs2)on1)c1cccc(-c2nn[n-]n2)c1 ZINC000824605211 608482269 /nfs/dbraw/zinc/48/22/69/608482269.db2.gz GMLBWQRKPIWANK-NSHDSACASA-N -1 3 352.423 3.434 20 0 FGADHM Cc1cc(C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)sc1C ZINC000826257983 608483125 /nfs/dbraw/zinc/48/31/25/608483125.db2.gz VTVCPUYZKMIUGW-UHFFFAOYSA-N -1 3 365.462 3.475 20 0 FGADHM Cc1cc(C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)sc1C ZINC000826257983 608483126 /nfs/dbraw/zinc/48/31/26/608483126.db2.gz VTVCPUYZKMIUGW-UHFFFAOYSA-N -1 3 365.462 3.475 20 0 FGADHM c1cn(-c2ccccc2)nc1CN[C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000826519894 608506452 /nfs/dbraw/zinc/50/64/52/608506452.db2.gz SQACOUGTMDRMRR-HXUWFJFHSA-N -1 3 371.448 3.220 20 0 FGADHM Fc1cc(F)c(CN(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)cc1F ZINC000826372138 608519847 /nfs/dbraw/zinc/51/98/47/608519847.db2.gz JMFBEVMRLWUIMP-UHFFFAOYSA-N -1 3 359.355 3.449 20 0 FGADHM Fc1cc(F)c(CN(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)cc1F ZINC000826372138 608519848 /nfs/dbraw/zinc/51/98/48/608519848.db2.gz JMFBEVMRLWUIMP-UHFFFAOYSA-N -1 3 359.355 3.449 20 0 FGADHM CC(C)(C)CN(CC(C)(C)C)C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000824085163 608522677 /nfs/dbraw/zinc/52/26/77/608522677.db2.gz DAKWOIOEMUPEIP-UHFFFAOYSA-N -1 3 358.490 3.471 20 0 FGADHM CC(C)(C)CN(CC(C)(C)C)C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000824085163 608522679 /nfs/dbraw/zinc/52/26/79/608522679.db2.gz DAKWOIOEMUPEIP-UHFFFAOYSA-N -1 3 358.490 3.471 20 0 FGADHM COc1ccc(OC)c(CN(Cc2cc(-c3nnn[n-]3)cs2)C2CC2)c1 ZINC000826210837 608528250 /nfs/dbraw/zinc/52/82/50/608528250.db2.gz GYOGNLZGUROLGN-UHFFFAOYSA-N -1 3 371.466 3.110 20 0 FGADHM COc1ccc(OC)c(CN(Cc2cc(-c3nn[n-]n3)cs2)C2CC2)c1 ZINC000826210837 608528252 /nfs/dbraw/zinc/52/82/52/608528252.db2.gz GYOGNLZGUROLGN-UHFFFAOYSA-N -1 3 371.466 3.110 20 0 FGADHM Fc1ccc(C2(NCc3cc(-c4nn[n-]n4)ccc3F)CCC2)c(F)c1 ZINC000826373830 608538727 /nfs/dbraw/zinc/53/87/27/608538727.db2.gz BAVNYAICRJDHIE-UHFFFAOYSA-N -1 3 359.355 3.453 20 0 FGADHM Cc1nc(C)c(-c2nnn[n-]2)c(SCc2cccc(OC(C)(C)C)n2)n1 ZINC000826324286 608543929 /nfs/dbraw/zinc/54/39/29/608543929.db2.gz LASZLRWPRSAYFH-UHFFFAOYSA-N -1 3 371.470 3.138 20 0 FGADHM Fc1ccc(N2CCC(OCc3ccccc3F)CC2)c(-c2nnn[n-]2)c1 ZINC000826375229 608558627 /nfs/dbraw/zinc/55/86/27/608558627.db2.gz DVHCWEXGAZMRMX-UHFFFAOYSA-N -1 3 371.391 3.331 20 0 FGADHM Fc1ccc(N2CCC(OCc3ccccc3F)CC2)c(-c2nn[n-]n2)c1 ZINC000826375229 608558629 /nfs/dbraw/zinc/55/86/29/608558629.db2.gz DVHCWEXGAZMRMX-UHFFFAOYSA-N -1 3 371.391 3.331 20 0 FGADHM O=C(Nc1nc2ccccc2s1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826460054 608573060 /nfs/dbraw/zinc/57/30/60/608573060.db2.gz KZTGSBYGDHVMHI-UHFFFAOYSA-N -1 3 356.798 3.382 20 0 FGADHM O=C(Nc1nc2ccccc2s1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826460054 608573061 /nfs/dbraw/zinc/57/30/61/608573061.db2.gz KZTGSBYGDHVMHI-UHFFFAOYSA-N -1 3 356.798 3.382 20 0 FGADHM O=C(NCC1(c2ccc(F)cc2)CC1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826434166 608575874 /nfs/dbraw/zinc/57/58/74/608575874.db2.gz FERQEDKJSLDCAE-UHFFFAOYSA-N -1 3 371.803 3.121 20 0 FGADHM O=C(NCC1(c2ccc(F)cc2)CC1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826434166 608575876 /nfs/dbraw/zinc/57/58/76/608575876.db2.gz FERQEDKJSLDCAE-UHFFFAOYSA-N -1 3 371.803 3.121 20 0 FGADHM O=C(c1ccc(Cl)c(-c2nnn[n-]2)c1)N1CCC[C@@]2(CC=CCC2)C1 ZINC000826472991 608577418 /nfs/dbraw/zinc/57/74/18/608577418.db2.gz FZQHWOZKABDTDP-SFHVURJKSA-N -1 3 357.845 3.483 20 0 FGADHM O=C(c1ccc(Cl)c(-c2nn[n-]n2)c1)N1CCC[C@@]2(CC=CCC2)C1 ZINC000826472991 608577420 /nfs/dbraw/zinc/57/74/20/608577420.db2.gz FZQHWOZKABDTDP-SFHVURJKSA-N -1 3 357.845 3.483 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@@H](C)CCCc1ccccc1 ZINC000826174283 608581145 /nfs/dbraw/zinc/58/11/45/608581145.db2.gz QIWIMRPOSBBTCT-AWEZNQCLSA-N -1 3 366.421 3.440 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@@H](C)CCCc1ccccc1 ZINC000826174283 608581146 /nfs/dbraw/zinc/58/11/46/608581146.db2.gz QIWIMRPOSBBTCT-AWEZNQCLSA-N -1 3 366.421 3.440 20 0 FGADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)Nc1cnc(-c2ccccc2)s1 ZINC000826421839 608585176 /nfs/dbraw/zinc/58/51/76/608585176.db2.gz BPDQBIHAVZSQHZ-UHFFFAOYSA-N -1 3 362.418 3.171 20 0 FGADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)Nc1cnc(-c2ccccc2)s1 ZINC000826421839 608585177 /nfs/dbraw/zinc/58/51/77/608585177.db2.gz BPDQBIHAVZSQHZ-UHFFFAOYSA-N -1 3 362.418 3.171 20 0 FGADHM CCc1ccc(N[C@H](C(=O)OC)c2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000825717776 608753777 /nfs/dbraw/zinc/75/37/77/608753777.db2.gz PQRMCCITHPRQJT-KRWDZBQOSA-N -1 3 351.410 3.064 20 0 FGADHM CCc1ccc(N[C@H](C(=O)OC)c2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000825717776 608753780 /nfs/dbraw/zinc/75/37/80/608753780.db2.gz PQRMCCITHPRQJT-KRWDZBQOSA-N -1 3 351.410 3.064 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1[C@H](C)Cc2cc(F)ccc2[C@@H]1C ZINC000826244408 608826157 /nfs/dbraw/zinc/82/61/57/608826157.db2.gz RBHZWZRNBUNMON-OLZOCXBDSA-N -1 3 365.412 3.462 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1[C@H](C)Cc2cc(F)ccc2[C@@H]1C ZINC000826244408 608826160 /nfs/dbraw/zinc/82/61/60/608826160.db2.gz RBHZWZRNBUNMON-OLZOCXBDSA-N -1 3 365.412 3.462 20 0 FGADHM Cn1c(CNc2ccc(-c3nn[n-]n3)cc2)nc2cc(C(F)(F)F)ccc21 ZINC000826355195 608868822 /nfs/dbraw/zinc/86/88/22/608868822.db2.gz OCEQUPMWYCTWHN-UHFFFAOYSA-N -1 3 373.342 3.384 20 0 FGADHM CC(=O)c1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c(F)c1 ZINC000824019513 609147443 /nfs/dbraw/zinc/14/74/43/609147443.db2.gz DUTAPUMPDHWCNN-UHFFFAOYSA-N -1 3 359.748 3.114 20 0 FGADHM CC(=O)c1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c(F)c1 ZINC000824019513 609147444 /nfs/dbraw/zinc/14/74/44/609147444.db2.gz DUTAPUMPDHWCNN-UHFFFAOYSA-N -1 3 359.748 3.114 20 0 FGADHM CCN(Cc1ccccc1N[C@H](C)c1cccc(-c2nnn[n-]2)c1)C(C)=O ZINC000825439672 609159574 /nfs/dbraw/zinc/15/95/74/609159574.db2.gz KBYOPGMYDAVXBP-CQSZACIVSA-N -1 3 364.453 3.408 20 0 FGADHM CCN(Cc1ccccc1N[C@H](C)c1cccc(-c2nn[n-]n2)c1)C(C)=O ZINC000825439672 609159575 /nfs/dbraw/zinc/15/95/75/609159575.db2.gz KBYOPGMYDAVXBP-CQSZACIVSA-N -1 3 364.453 3.408 20 0 FGADHM CSc1ccccc1CC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826230785 609163416 /nfs/dbraw/zinc/16/34/16/609163416.db2.gz KALGZNZSLYFSMH-GFCCVEGCSA-N -1 3 353.451 3.009 20 0 FGADHM CSc1ccccc1CC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826230785 609163417 /nfs/dbraw/zinc/16/34/17/609163417.db2.gz KALGZNZSLYFSMH-GFCCVEGCSA-N -1 3 353.451 3.009 20 0 FGADHM CC[C@H](C)OCC(=O)Nc1c(-c2nnn[n-]2)c(C)c(C)n1-c1ccccc1 ZINC000825073668 609165950 /nfs/dbraw/zinc/16/59/50/609165950.db2.gz AFQYKVAHZRVDME-LBPRGKRZSA-N -1 3 368.441 3.028 20 0 FGADHM CC[C@H](C)OCC(=O)Nc1c(-c2nn[n-]n2)c(C)c(C)n1-c1ccccc1 ZINC000825073668 609165952 /nfs/dbraw/zinc/16/59/52/609165952.db2.gz AFQYKVAHZRVDME-LBPRGKRZSA-N -1 3 368.441 3.028 20 0 FGADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)CC2CCC2)c1-c1nnn[n-]1 ZINC000826233671 609168124 /nfs/dbraw/zinc/16/81/24/609168124.db2.gz QSBKAFHKKPSKCT-UHFFFAOYSA-N -1 3 350.426 3.403 20 0 FGADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)CC2CCC2)c1-c1nn[n-]n1 ZINC000826233671 609168125 /nfs/dbraw/zinc/16/81/25/609168125.db2.gz QSBKAFHKKPSKCT-UHFFFAOYSA-N -1 3 350.426 3.403 20 0 FGADHM Fc1ccc2c(c1)OCCC[C@H]2Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC000826375825 609169629 /nfs/dbraw/zinc/16/96/29/609169629.db2.gz CXSPTOHQANUVOL-CYBMUJFWSA-N -1 3 360.780 3.380 20 0 FGADHM Fc1ccc2c(c1)OCCC[C@H]2Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC000826375825 609169632 /nfs/dbraw/zinc/16/96/32/609169632.db2.gz CXSPTOHQANUVOL-CYBMUJFWSA-N -1 3 360.780 3.380 20 0 FGADHM CCNc1ccc(-c2nn[n-]n2)cc1NCCCOc1ccc(OC)cc1 ZINC000825481274 609179715 /nfs/dbraw/zinc/17/97/15/609179715.db2.gz VNGNSTALMRYUFU-UHFFFAOYSA-N -1 3 368.441 3.188 20 0 FGADHM CC(C)CCCS[C@@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O ZINC000824244464 609181716 /nfs/dbraw/zinc/18/17/16/609181716.db2.gz RNQUCSPUALMWOR-GFCCVEGCSA-N -1 3 351.501 3.203 20 0 FGADHM CC(C)CCCS[C@@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O ZINC000824244464 609181718 /nfs/dbraw/zinc/18/17/18/609181718.db2.gz RNQUCSPUALMWOR-GFCCVEGCSA-N -1 3 351.501 3.203 20 0 FGADHM C[C@@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(c1ccccc1)c1ccccc1 ZINC000824507077 609194963 /nfs/dbraw/zinc/19/49/63/609194963.db2.gz TTWWLJQEVCCEEW-CQSZACIVSA-N -1 3 372.432 3.145 20 0 FGADHM C[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(c1ccccc1)c1ccccc1 ZINC000824507077 609194965 /nfs/dbraw/zinc/19/49/65/609194965.db2.gz TTWWLJQEVCCEEW-CQSZACIVSA-N -1 3 372.432 3.145 20 0 FGADHM CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)c2c[nH]c(-c3nnn[n-]3)c2)cc1 ZINC000824136254 609197191 /nfs/dbraw/zinc/19/71/91/609197191.db2.gz OFZRWMKRFNBTFZ-KRWDZBQOSA-N -1 3 364.453 3.470 20 0 FGADHM CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)c2c[nH]c(-c3nn[n-]n3)c2)cc1 ZINC000824136254 609197193 /nfs/dbraw/zinc/19/71/93/609197193.db2.gz OFZRWMKRFNBTFZ-KRWDZBQOSA-N -1 3 364.453 3.470 20 0 FGADHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N1CCc2cc(-c3ccccc3)ccc21 ZINC000826469468 609227689 /nfs/dbraw/zinc/22/76/89/609227689.db2.gz IJJSHFJJTLPSMZ-UHFFFAOYSA-N -1 3 356.389 3.065 20 0 FGADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1CCc2cc(-c3ccccc3)ccc21 ZINC000826469468 609227690 /nfs/dbraw/zinc/22/76/90/609227690.db2.gz IJJSHFJJTLPSMZ-UHFFFAOYSA-N -1 3 356.389 3.065 20 0 FGADHM CCCCC[C@@H](NC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)C(C)(C)C ZINC000825266829 609231626 /nfs/dbraw/zinc/23/16/26/609231626.db2.gz HTBCEOFDOHDDAC-CVEARBPZSA-N -1 3 359.474 3.011 20 0 FGADHM CCCCC[C@@H](NC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)C(C)(C)C ZINC000825266829 609231628 /nfs/dbraw/zinc/23/16/28/609231628.db2.gz HTBCEOFDOHDDAC-CVEARBPZSA-N -1 3 359.474 3.011 20 0 FGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)OCc1ccc(CF)cc1 ZINC000826421038 609239222 /nfs/dbraw/zinc/23/92/22/609239222.db2.gz ODXRXIDNKLDYRI-UHFFFAOYSA-N -1 3 358.398 3.172 20 0 FGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)OCc1ccc(CF)cc1 ZINC000826421038 609239223 /nfs/dbraw/zinc/23/92/23/609239223.db2.gz ODXRXIDNKLDYRI-UHFFFAOYSA-N -1 3 358.398 3.172 20 0 FGADHM Cc1cc(NC(=O)c2ccc(-c3nnn[n-]3)cc2)nn1-c1cc(C)cc(C)c1 ZINC000826263503 609245857 /nfs/dbraw/zinc/24/58/57/609245857.db2.gz FCZDIYKWIKLVON-UHFFFAOYSA-N -1 3 373.420 3.230 20 0 FGADHM Cc1cc(NC(=O)c2ccc(-c3nn[n-]n3)cc2)nn1-c1cc(C)cc(C)c1 ZINC000826263503 609245859 /nfs/dbraw/zinc/24/58/59/609245859.db2.gz FCZDIYKWIKLVON-UHFFFAOYSA-N -1 3 373.420 3.230 20 0 FGADHM O=C(Oc1cc(Br)ccc1F)c1cc(-c2nnn[n-]2)cs1 ZINC000826468140 609252688 /nfs/dbraw/zinc/25/26/88/609252688.db2.gz BZXBOHIJJZCSKZ-UHFFFAOYSA-N -1 3 369.175 3.049 20 0 FGADHM O=C(Oc1cc(Br)ccc1F)c1cc(-c2nn[n-]n2)cs1 ZINC000826468140 609252689 /nfs/dbraw/zinc/25/26/89/609252689.db2.gz BZXBOHIJJZCSKZ-UHFFFAOYSA-N -1 3 369.175 3.049 20 0 FGADHM COc1cc(N[C@H](C)c2cccc(-c3nnn[n-]3)c2)ccc1NC(C)=O ZINC000826180532 609267367 /nfs/dbraw/zinc/26/73/67/609267367.db2.gz LPJWHFQBXVWBGI-LLVKDONJSA-N -1 3 352.398 3.007 20 0 FGADHM COc1cc(N[C@H](C)c2cccc(-c3nn[n-]n3)c2)ccc1NC(C)=O ZINC000826180532 609267369 /nfs/dbraw/zinc/26/73/69/609267369.db2.gz LPJWHFQBXVWBGI-LLVKDONJSA-N -1 3 352.398 3.007 20 0 FGADHM C[C@@H](Nc1ccc(-n2cncn2)c(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824656168 609276447 /nfs/dbraw/zinc/27/64/47/609276447.db2.gz IMLJXSKQJSBVCC-LLVKDONJSA-N -1 3 366.816 3.274 20 0 FGADHM C[C@@H](Nc1ccc(-n2cncn2)c(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824656168 609276449 /nfs/dbraw/zinc/27/64/49/609276449.db2.gz IMLJXSKQJSBVCC-LLVKDONJSA-N -1 3 366.816 3.274 20 0 FGADHM Cc1cccc(C)c1CNc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000826296932 609278996 /nfs/dbraw/zinc/27/89/96/609278996.db2.gz OVGKFNBZEVXDNJ-UHFFFAOYSA-N -1 3 363.400 3.420 20 0 FGADHM C[C@@H](Nc1ccc(N2CCOC[C@H]2C)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824658581 609279237 /nfs/dbraw/zinc/27/92/37/609279237.db2.gz YNGDRTZVGDYIHP-HUUCEWRRSA-N -1 3 364.453 3.265 20 0 FGADHM C[C@@H](Nc1ccc(N2CCOC[C@H]2C)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824658581 609279239 /nfs/dbraw/zinc/27/92/39/609279239.db2.gz YNGDRTZVGDYIHP-HUUCEWRRSA-N -1 3 364.453 3.265 20 0 FGADHM O[C@H](c1ccccc1NCc1ccc(-c2nnn[n-]2)cc1F)C(F)(F)F ZINC000826505058 609286070 /nfs/dbraw/zinc/28/60/70/609286070.db2.gz LBRLCLSSIYWZNJ-CQSZACIVSA-N -1 3 367.306 3.214 20 0 FGADHM O[C@H](c1ccccc1NCc1ccc(-c2nn[n-]n2)cc1F)C(F)(F)F ZINC000826505058 609286071 /nfs/dbraw/zinc/28/60/71/609286071.db2.gz LBRLCLSSIYWZNJ-CQSZACIVSA-N -1 3 367.306 3.214 20 0 FGADHM CCOc1cccc([C@@H](C)NC(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)c1 ZINC000825648874 609290240 /nfs/dbraw/zinc/29/02/40/609290240.db2.gz FJMWUBHTAJBTSL-LLVKDONJSA-N -1 3 371.828 3.410 20 0 FGADHM CCOc1cccc([C@@H](C)NC(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)c1 ZINC000825648874 609290242 /nfs/dbraw/zinc/29/02/42/609290242.db2.gz FJMWUBHTAJBTSL-LLVKDONJSA-N -1 3 371.828 3.410 20 0 FGADHM O=C(c1ccc(Cl)c(-c2nnn[n-]2)c1)N1CC[C@@H](Cc2ccccc2)C1 ZINC000826473162 609300488 /nfs/dbraw/zinc/30/04/88/609300488.db2.gz MWULNNWIAVGTGP-AWEZNQCLSA-N -1 3 367.840 3.225 20 0 FGADHM O=C(c1ccc(Cl)c(-c2nn[n-]n2)c1)N1CC[C@@H](Cc2ccccc2)C1 ZINC000826473162 609300490 /nfs/dbraw/zinc/30/04/90/609300490.db2.gz MWULNNWIAVGTGP-AWEZNQCLSA-N -1 3 367.840 3.225 20 0 FGADHM O=C(Nc1nccs1)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826460672 609303642 /nfs/dbraw/zinc/30/36/42/609303642.db2.gz MPCOWVJHDKPWKC-UHFFFAOYSA-N -1 3 364.390 3.368 20 0 FGADHM O=C(Nc1nccs1)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826460672 609303643 /nfs/dbraw/zinc/30/36/43/609303643.db2.gz MPCOWVJHDKPWKC-UHFFFAOYSA-N -1 3 364.390 3.368 20 0 FGADHM CC(=O)c1ccccc1OCc1ccc(-c2nnn[n-]2)cc1Br ZINC000824029253 609305459 /nfs/dbraw/zinc/30/54/59/609305459.db2.gz IAOBEAKUKXXCAJ-UHFFFAOYSA-N -1 3 373.210 3.411 20 0 FGADHM CC(=O)c1ccccc1OCc1ccc(-c2nn[n-]n2)cc1Br ZINC000824029253 609305460 /nfs/dbraw/zinc/30/54/60/609305460.db2.gz IAOBEAKUKXXCAJ-UHFFFAOYSA-N -1 3 373.210 3.411 20 0 FGADHM CC(C)(C)OCC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000824120128 609315649 /nfs/dbraw/zinc/31/56/49/609315649.db2.gz ZNTBWYBOIAGYEB-UHFFFAOYSA-N -1 3 367.409 3.413 20 0 FGADHM CC(C)(C)OCC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000824120128 609315651 /nfs/dbraw/zinc/31/56/51/609315651.db2.gz ZNTBWYBOIAGYEB-UHFFFAOYSA-N -1 3 367.409 3.413 20 0 FGADHM C[C@H](CSCC(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000824448688 609329990 /nfs/dbraw/zinc/32/99/90/609329990.db2.gz KBYVSXSUDNZCFA-CYBMUJFWSA-N -1 3 353.451 3.342 20 0 FGADHM C[C@H](CSCC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000824448688 609329992 /nfs/dbraw/zinc/32/99/92/609329992.db2.gz KBYVSXSUDNZCFA-CYBMUJFWSA-N -1 3 353.451 3.342 20 0 FGADHM Cc1ccc(F)c(NCc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826289907 609342845 /nfs/dbraw/zinc/34/28/45/609342845.db2.gz RFXLKIIECISCKC-UHFFFAOYSA-N -1 3 363.400 3.327 20 0 FGADHM Cc1ccc(F)c(NCc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826289907 609342847 /nfs/dbraw/zinc/34/28/47/609342847.db2.gz RFXLKIIECISCKC-UHFFFAOYSA-N -1 3 363.400 3.327 20 0 FGADHM CC(C)[C@@H]1C[C@H](CC(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)CCO1 ZINC000824215877 609372437 /nfs/dbraw/zinc/37/24/37/609372437.db2.gz NNMRKIWIAMOUHW-ABAIWWIYSA-N -1 3 363.849 3.300 20 0 FGADHM CC(C)[C@@H]1C[C@H](CC(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)CCO1 ZINC000824215877 609372439 /nfs/dbraw/zinc/37/24/39/609372439.db2.gz NNMRKIWIAMOUHW-ABAIWWIYSA-N -1 3 363.849 3.300 20 0 FGADHM CC(C)[C@@H]1C[C@@H](CC(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)CCO1 ZINC000824216360 609380216 /nfs/dbraw/zinc/38/02/16/609380216.db2.gz QEFMNYNTRIMUQP-ZFWWWQNUSA-N -1 3 374.489 3.203 20 0 FGADHM CC(C)[C@@H]1C[C@@H](CC(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)CCO1 ZINC000824216360 609380220 /nfs/dbraw/zinc/38/02/20/609380220.db2.gz QEFMNYNTRIMUQP-ZFWWWQNUSA-N -1 3 374.489 3.203 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)C[C@@H]1CCO[C@@H](C(C)C)C1 ZINC000826253185 609397909 /nfs/dbraw/zinc/39/79/09/609397909.db2.gz HOENLVYZWQZCJD-RHSMWYFYSA-N -1 3 358.442 3.060 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)C[C@@H]1CCO[C@@H](C(C)C)C1 ZINC000826253185 609397912 /nfs/dbraw/zinc/39/79/12/609397912.db2.gz HOENLVYZWQZCJD-RHSMWYFYSA-N -1 3 358.442 3.060 20 0 FGADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)[C@H]1CCC(C)(C)C1 ZINC000825787506 609399713 /nfs/dbraw/zinc/39/97/13/609399713.db2.gz GTLDKYFWTLCVHL-LBPRGKRZSA-N -1 3 353.430 3.001 20 0 FGADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)[C@H]1CCC(C)(C)C1 ZINC000825787506 609399715 /nfs/dbraw/zinc/39/97/15/609399715.db2.gz GTLDKYFWTLCVHL-LBPRGKRZSA-N -1 3 353.430 3.001 20 0 FGADHM CC[C@H]1C[C@@H](CC(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)CCO1 ZINC000825184631 609405467 /nfs/dbraw/zinc/40/54/67/609405467.db2.gz XCSPPHWIZGCHBM-FZMZJTMJSA-N -1 3 364.833 3.159 20 0 FGADHM CC[C@H]1C[C@@H](CC(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)CCO1 ZINC000825184631 609405470 /nfs/dbraw/zinc/40/54/70/609405470.db2.gz XCSPPHWIZGCHBM-FZMZJTMJSA-N -1 3 364.833 3.159 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)C[C@H]1CCO[C@H](CC)C1 ZINC000825332537 609413938 /nfs/dbraw/zinc/41/39/38/609413938.db2.gz HOKNTUFGHNFKGR-DZGCQCFKSA-N -1 3 372.473 3.222 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)C[C@@H]1CCO[C@H](CC)C1 ZINC000825332539 609414096 /nfs/dbraw/zinc/41/40/96/609414096.db2.gz HOKNTUFGHNFKGR-UKRRQHHQSA-N -1 3 372.473 3.222 20 0 FGADHM C[C@H](Nc1nc2ccccn2c1-c1nnn[n-]1)c1cccc(OC(F)F)c1 ZINC000824662488 609461453 /nfs/dbraw/zinc/46/14/53/609461453.db2.gz LMNBMTPJOLRPFZ-JTQLQIEISA-N -1 3 371.351 3.289 20 0 FGADHM C[C@H](Nc1nc2ccccn2c1-c1nn[n-]n1)c1cccc(OC(F)F)c1 ZINC000824662488 609461454 /nfs/dbraw/zinc/46/14/54/609461454.db2.gz LMNBMTPJOLRPFZ-JTQLQIEISA-N -1 3 371.351 3.289 20 0 FGADHM O=C(Nc1nc(C=Cc2ccccc2)cs1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826460359 609463710 /nfs/dbraw/zinc/46/37/10/609463710.db2.gz ZDNROACVHUPVRU-VOTSOKGWSA-N -1 3 363.406 3.074 20 0 FGADHM O=C(Nc1nc(C=Cc2ccccc2)cs1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826460359 609463712 /nfs/dbraw/zinc/46/37/12/609463712.db2.gz ZDNROACVHUPVRU-VOTSOKGWSA-N -1 3 363.406 3.074 20 0 FGADHM CCOC(=O)C=Cc1ccc(NCc2cccc(-c3nnn[n-]3)c2F)cc1 ZINC000825499892 609475776 /nfs/dbraw/zinc/47/57/76/609475776.db2.gz XERBFDHRESZXMZ-DHZHZOJOSA-N -1 3 367.384 3.194 20 0 FGADHM CCOC(=O)C=Cc1ccc(NCc2cccc(-c3nn[n-]n3)c2F)cc1 ZINC000825499892 609475779 /nfs/dbraw/zinc/47/57/79/609475779.db2.gz XERBFDHRESZXMZ-DHZHZOJOSA-N -1 3 367.384 3.194 20 0 FGADHM Cc1ccc2ncc(CNc3cc(-c4nn[n-]n4)ccc3OC(C)C)n2c1 ZINC000826295574 609480646 /nfs/dbraw/zinc/48/06/46/609480646.db2.gz NMHZSYMITVMJMP-UHFFFAOYSA-N -1 3 363.425 3.222 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NCc1csc(-c2ccccn2)n1 ZINC000826186874 609483785 /nfs/dbraw/zinc/48/37/85/609483785.db2.gz NRXQZAKQYBNNKG-UHFFFAOYSA-N -1 3 365.422 3.006 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NCc1csc(-c2ccccn2)n1 ZINC000826186874 609483787 /nfs/dbraw/zinc/48/37/87/609483787.db2.gz NRXQZAKQYBNNKG-UHFFFAOYSA-N -1 3 365.422 3.006 20 0 FGADHM CC[C@@H](C)CCCCC(=O)N(CCOC)c1ccc(-c2nnn[n-]2)cc1 ZINC000825059498 609501594 /nfs/dbraw/zinc/50/15/94/609501594.db2.gz FZROFARQEUQJNX-OAHLLOKOSA-N -1 3 359.474 3.453 20 0 FGADHM CC[C@@H](C)CCCCC(=O)N(CCOC)c1ccc(-c2nn[n-]n2)cc1 ZINC000825059498 609501595 /nfs/dbraw/zinc/50/15/95/609501595.db2.gz FZROFARQEUQJNX-OAHLLOKOSA-N -1 3 359.474 3.453 20 0 FGADHM CC(C)OCCCC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000824309654 609501907 /nfs/dbraw/zinc/50/19/07/609501907.db2.gz UGDBZBDIWWVZJF-UHFFFAOYSA-N -1 3 357.336 3.029 20 0 FGADHM CC(C)OCCCC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000824309654 609501908 /nfs/dbraw/zinc/50/19/08/609501908.db2.gz UGDBZBDIWWVZJF-UHFFFAOYSA-N -1 3 357.336 3.029 20 0 FGADHM C[C@H]1CCC[C@@H]1C(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000824925457 609509540 /nfs/dbraw/zinc/50/95/40/609509540.db2.gz CWKIRBKZICKPOF-GWCFXTLKSA-N -1 3 354.439 3.365 20 0 FGADHM C[C@H]1CCC[C@@H]1C(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000824925457 609509542 /nfs/dbraw/zinc/50/95/42/609509542.db2.gz CWKIRBKZICKPOF-GWCFXTLKSA-N -1 3 354.439 3.365 20 0 FGADHM Cc1nn(-c2ccccc2)cc1CCCNc1nccc(C)c1-c1nnn[n-]1 ZINC000826313791 609533781 /nfs/dbraw/zinc/53/37/81/609533781.db2.gz UGDWBYAVWGKJBM-UHFFFAOYSA-N -1 3 374.452 3.109 20 0 FGADHM Cc1nn(-c2ccccc2)cc1CCCNc1nccc(C)c1-c1nn[n-]n1 ZINC000826313791 609533782 /nfs/dbraw/zinc/53/37/82/609533782.db2.gz UGDWBYAVWGKJBM-UHFFFAOYSA-N -1 3 374.452 3.109 20 0 FGADHM Cc1ccnc(NCCOc2cccc(C(F)(F)F)c2)c1-c1nnn[n-]1 ZINC000826314383 609536899 /nfs/dbraw/zinc/53/68/99/609536899.db2.gz UCGFXAUREMWBFQ-UHFFFAOYSA-N -1 3 364.331 3.080 20 0 FGADHM Cc1ccnc(NCCOc2cccc(C(F)(F)F)c2)c1-c1nn[n-]n1 ZINC000826314383 609536900 /nfs/dbraw/zinc/53/69/00/609536900.db2.gz UCGFXAUREMWBFQ-UHFFFAOYSA-N -1 3 364.331 3.080 20 0 FGADHM Cc1c(Cl)cnc(NCc2ccc3ccccc3n2)c1-c1nnn[n-]1 ZINC000826240512 609541421 /nfs/dbraw/zinc/54/14/21/609541421.db2.gz XLBPIFOWSMDNTA-UHFFFAOYSA-N -1 3 351.801 3.384 20 0 FGADHM Cc1c(Cl)cnc(NCc2ccc3ccccc3n2)c1-c1nn[n-]n1 ZINC000826240512 609541423 /nfs/dbraw/zinc/54/14/23/609541423.db2.gz XLBPIFOWSMDNTA-UHFFFAOYSA-N -1 3 351.801 3.384 20 0 FGADHM COc1ccccc1CC1CCN(c2nccc(C)c2-c2nnn[n-]2)CC1 ZINC000826219755 609545517 /nfs/dbraw/zinc/54/55/17/609545517.db2.gz POXJOTLEMOEQAJ-UHFFFAOYSA-N -1 3 364.453 3.038 20 0 FGADHM COc1ccccc1CC1CCN(c2nccc(C)c2-c2nn[n-]n2)CC1 ZINC000826219755 609545519 /nfs/dbraw/zinc/54/55/19/609545519.db2.gz POXJOTLEMOEQAJ-UHFFFAOYSA-N -1 3 364.453 3.038 20 0 FGADHM Cc1ccnc(NCCc2coc(-c3ccc(F)cc3)n2)c1-c1nnn[n-]1 ZINC000826314281 609546102 /nfs/dbraw/zinc/54/61/02/609546102.db2.gz OMJWYOQDGODEFY-UHFFFAOYSA-N -1 3 365.372 3.019 20 0 FGADHM Cc1ccnc(NCCc2coc(-c3ccc(F)cc3)n2)c1-c1nn[n-]n1 ZINC000826314281 609546103 /nfs/dbraw/zinc/54/61/03/609546103.db2.gz OMJWYOQDGODEFY-UHFFFAOYSA-N -1 3 365.372 3.019 20 0 FGADHM COc1cc(Cl)ccc1CNc1ncc(Cl)c(C)c1-c1nnn[n-]1 ZINC000826180031 609549537 /nfs/dbraw/zinc/54/95/37/609549537.db2.gz PJYMEQRMSMLTNT-UHFFFAOYSA-N -1 3 365.224 3.498 20 0 FGADHM COc1cc(Cl)ccc1CNc1ncc(Cl)c(C)c1-c1nn[n-]n1 ZINC000826180031 609549538 /nfs/dbraw/zinc/54/95/38/609549538.db2.gz PJYMEQRMSMLTNT-UHFFFAOYSA-N -1 3 365.224 3.498 20 0 FGADHM CCOc1cc(CCCNc2nccc(C)c2-c2nnn[n-]2)ccc1OC ZINC000825615643 609556276 /nfs/dbraw/zinc/55/62/76/609556276.db2.gz DYIBDYIMBNGXMK-UHFFFAOYSA-N -1 3 368.441 3.022 20 0 FGADHM CCOc1cc(CCCNc2nccc(C)c2-c2nn[n-]n2)ccc1OC ZINC000825615643 609556279 /nfs/dbraw/zinc/55/62/79/609556279.db2.gz DYIBDYIMBNGXMK-UHFFFAOYSA-N -1 3 368.441 3.022 20 0 FGADHM COc1ccc(O[C@@H](C)CNc2ncc(Cl)c(C)c2-c2nnn[n-]2)cc1 ZINC000826211159 609561459 /nfs/dbraw/zinc/56/14/59/609561459.db2.gz RSFFZARYIKTBQN-JTQLQIEISA-N -1 3 374.832 3.112 20 0 FGADHM COc1ccc(O[C@@H](C)CNc2ncc(Cl)c(C)c2-c2nn[n-]n2)cc1 ZINC000826211159 609561460 /nfs/dbraw/zinc/56/14/60/609561460.db2.gz RSFFZARYIKTBQN-JTQLQIEISA-N -1 3 374.832 3.112 20 0 FGADHM CC[C@@H](Nc1ncc(Cl)c(C)c1-c1nnn[n-]1)c1c(C)nn(C)c1C ZINC000825147359 609562814 /nfs/dbraw/zinc/56/28/14/609562814.db2.gz JATOOPWBPPCUIJ-GFCCVEGCSA-N -1 3 360.853 3.137 20 0 FGADHM CC[C@@H](Nc1ncc(Cl)c(C)c1-c1nn[n-]n1)c1c(C)nn(C)c1C ZINC000825147359 609562817 /nfs/dbraw/zinc/56/28/17/609562817.db2.gz JATOOPWBPPCUIJ-GFCCVEGCSA-N -1 3 360.853 3.137 20 0 FGADHM Cc1cccc2oc(CCNc3ncc(Cl)c(C)c3-c3nnn[n-]3)nc21 ZINC000826240477 609564059 /nfs/dbraw/zinc/56/40/59/609564059.db2.gz VHBFXQDYCNWXOQ-UHFFFAOYSA-N -1 3 369.816 3.328 20 0 FGADHM Cc1cccc2oc(CCNc3ncc(Cl)c(C)c3-c3nn[n-]n3)nc21 ZINC000826240477 609564061 /nfs/dbraw/zinc/56/40/61/609564061.db2.gz VHBFXQDYCNWXOQ-UHFFFAOYSA-N -1 3 369.816 3.328 20 0 FGADHM c1ccc(OC[C@@H]2CCN(c3c(-c4nnn[n-]4)cnc4ccccc43)C2)cc1 ZINC000826522922 609574122 /nfs/dbraw/zinc/57/41/22/609574122.db2.gz TVGUTEFTDHUXSS-OAHLLOKOSA-N -1 3 372.432 3.320 20 0 FGADHM c1ccc(OC[C@@H]2CCN(c3c(-c4nn[n-]n4)cnc4ccccc43)C2)cc1 ZINC000826522922 609574124 /nfs/dbraw/zinc/57/41/24/609574124.db2.gz TVGUTEFTDHUXSS-OAHLLOKOSA-N -1 3 372.432 3.320 20 0 FGADHM COc1cccc2c1CC[C@H]2Nc1ncc(Cl)c(C)c1-c1nnn[n-]1 ZINC000826218239 609574793 /nfs/dbraw/zinc/57/47/93/609574793.db2.gz VETBVMCXMIGHTB-CYBMUJFWSA-N -1 3 356.817 3.332 20 0 FGADHM COc1cccc2c1CC[C@H]2Nc1ncc(Cl)c(C)c1-c1nn[n-]n1 ZINC000826218239 609574797 /nfs/dbraw/zinc/57/47/97/609574797.db2.gz VETBVMCXMIGHTB-CYBMUJFWSA-N -1 3 356.817 3.332 20 0 FGADHM Cc1c(Cl)cnc(N[C@@H]2CC[C@@H]3SCCS[C@@H]23)c1-c1nnn[n-]1 ZINC000826239101 609582768 /nfs/dbraw/zinc/58/27/68/609582768.db2.gz XVCBYDDUDFJQKL-SCVCMEIPSA-N -1 3 368.919 3.015 20 0 FGADHM Cc1c(Cl)cnc(N[C@@H]2CC[C@@H]3SCCS[C@@H]23)c1-c1nn[n-]n1 ZINC000826239101 609582769 /nfs/dbraw/zinc/58/27/69/609582769.db2.gz XVCBYDDUDFJQKL-SCVCMEIPSA-N -1 3 368.919 3.015 20 0 FGADHM COc1cccc([C@@H]2C[C@@H](C)CN2c2nccc(C)c2-c2nnn[n-]2)c1 ZINC000826215302 609593071 /nfs/dbraw/zinc/59/30/71/609593071.db2.gz LEWUVLBYZUTKRR-WBMJQRKESA-N -1 3 350.426 3.166 20 0 FGADHM COc1cccc([C@@H]2C[C@@H](C)CN2c2nccc(C)c2-c2nn[n-]n2)c1 ZINC000826215302 609593072 /nfs/dbraw/zinc/59/30/72/609593072.db2.gz LEWUVLBYZUTKRR-WBMJQRKESA-N -1 3 350.426 3.166 20 0 FGADHM CCN(C(=O)c1ncc(C)cc1C)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825391472 609599247 /nfs/dbraw/zinc/59/92/47/609599247.db2.gz ZTLUBYKCWBRPPI-UHFFFAOYSA-N -1 3 356.817 3.199 20 0 FGADHM CCN(C(=O)c1ncc(C)cc1C)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825391472 609599249 /nfs/dbraw/zinc/59/92/49/609599249.db2.gz ZTLUBYKCWBRPPI-UHFFFAOYSA-N -1 3 356.817 3.199 20 0 FGADHM O=C(OCc1ccc(Cl)cc1-c1nnn[n-]1)[C@@H]1CSc2ccccc21 ZINC000826465681 609613903 /nfs/dbraw/zinc/61/39/03/609613903.db2.gz XBAGPDARMRPCNY-CQSZACIVSA-N -1 3 372.837 3.453 20 0 FGADHM O=C(OCc1ccc(Cl)cc1-c1nn[n-]n1)[C@@H]1CSc2ccccc21 ZINC000826465681 609613905 /nfs/dbraw/zinc/61/39/05/609613905.db2.gz XBAGPDARMRPCNY-CQSZACIVSA-N -1 3 372.837 3.453 20 0 FGADHM Cc1ccc2oc(C(=O)OCc3ccc(Cl)cc3-c3nnn[n-]3)cc2n1 ZINC000826295472 609614911 /nfs/dbraw/zinc/61/49/11/609614911.db2.gz IRLDMPNWHAPIKV-UHFFFAOYSA-N -1 3 369.768 3.327 20 0 FGADHM Cc1ccc2oc(C(=O)OCc3ccc(Cl)cc3-c3nn[n-]n3)cc2n1 ZINC000826295472 609614912 /nfs/dbraw/zinc/61/49/12/609614912.db2.gz IRLDMPNWHAPIKV-UHFFFAOYSA-N -1 3 369.768 3.327 20 0 FGADHM COc1ccc(COC(=O)C(F)(F)c2ccc(C)cc2)cc1-c1nnn[n-]1 ZINC000826204440 609625839 /nfs/dbraw/zinc/62/58/39/609625839.db2.gz LEKZUZOCOGNASL-UHFFFAOYSA-N -1 3 374.347 3.019 20 0 FGADHM COc1ccc(COC(=O)C(F)(F)c2ccc(C)cc2)cc1-c1nn[n-]n1 ZINC000826204440 609625840 /nfs/dbraw/zinc/62/58/40/609625840.db2.gz LEKZUZOCOGNASL-UHFFFAOYSA-N -1 3 374.347 3.019 20 0 FGADHM CC/C(C)=C(/C)C(=O)OCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000825049542 609639192 /nfs/dbraw/zinc/63/91/92/609639192.db2.gz CJASPBKRXROECN-KTKRTIGZSA-N -1 3 352.341 3.258 20 0 FGADHM CC/C(C)=C(/C)C(=O)OCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000825049542 609639194 /nfs/dbraw/zinc/63/91/94/609639194.db2.gz CJASPBKRXROECN-KTKRTIGZSA-N -1 3 352.341 3.258 20 0 FGADHM O=c1[nH][n-]cc1CCCNc1nn2cc(-c3ccc(Cl)cc3)nc2s1 ZINC000631362221 676942757 /nfs/dbraw/zinc/94/27/57/676942757.db2.gz QNLIFJRNYVBNFT-NSHDSACASA-N -1 3 374.857 3.035 20 0 FGADHM CCCNC(=S)Nc1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000007517229 695570914 /nfs/dbraw/zinc/57/09/14/695570914.db2.gz QHHUIEGPLAXANX-UHFFFAOYSA-N -1 3 367.471 3.323 20 0 FGADHM COc1ccc(C(=O)N[N-]C(=O)c2ccc(Cl)cc2Cl)cc1F ZINC000026624253 695685933 /nfs/dbraw/zinc/68/59/33/695685933.db2.gz YEAYBLAHHYJXSZ-UHFFFAOYSA-N -1 3 357.168 3.216 20 0 FGADHM CC(C)Oc1ccc(CC[N-]S(=O)(=O)c2ccc(F)cc2F)cc1 ZINC000030356814 695721133 /nfs/dbraw/zinc/72/11/33/695721133.db2.gz 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700227285 /nfs/dbraw/zinc/22/72/85/700227285.db2.gz UPOCNFQJNSCVRQ-UHFFFAOYSA-N -1 3 364.442 3.080 20 0 FGADHM COc1cc(F)c([N-]S(=O)(=O)c2cnc(Cl)c(C)c2)cc1OC ZINC000078770667 700287693 /nfs/dbraw/zinc/28/76/93/700287693.db2.gz ALVXLUGQJQMGTD-UHFFFAOYSA-N -1 3 360.794 3.001 20 0 FGADHM CC(C)N(C)C(=O)C1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000091952445 700429476 /nfs/dbraw/zinc/42/94/76/700429476.db2.gz NRWVBMZWRKVPCN-UHFFFAOYSA-N -1 3 369.849 3.033 20 0 FGADHM Cc1nc(C)c(CC(=O)O[C@H](c2cccc(Cl)c2)C(F)(F)F)c(=O)[n-]1 ZINC000107032962 700513488 /nfs/dbraw/zinc/51/34/88/700513488.db2.gz ZFRXOMYZESVPPY-CQSZACIVSA-N -1 3 374.746 3.429 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]C2CCN(c3cccs3)CC2)c(F)cc1F ZINC000119313570 700625127 /nfs/dbraw/zinc/62/51/27/700625127.db2.gz SNXQZDCLVRBIFT-UHFFFAOYSA-N -1 3 372.462 3.282 20 0 FGADHM C[C@@](O)(C[N-]S(=O)(=O)c1cccc(Cl)c1Cl)c1ccsc1 ZINC000121150322 700667156 /nfs/dbraw/zinc/66/71/56/700667156.db2.gz ZDCITGZTZQYPHE-CYBMUJFWSA-N -1 3 366.291 3.241 20 0 FGADHM Cn1c2ccccc2c(Cl)c1C([O-])=C(C#N)C(=O)Nc1ccccn1 ZINC000125262494 700733541 /nfs/dbraw/zinc/73/35/41/700733541.db2.gz USPJQFMVZCKQJQ-LBPRGKRZSA-N -1 3 352.781 3.188 20 0 FGADHM Cc1ccc(C2N=NC(=S)N2CC(=O)Nc2cccc([O-])c2F)cc1 ZINC000128219562 700772303 /nfs/dbraw/zinc/77/23/03/700772303.db2.gz KGASJPOYAISYCT-UHFFFAOYSA-N -1 3 358.398 3.026 20 0 FGADHM CC(C)(C)[C@H](OC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)C(F)(F)F ZINC000132356998 700826821 /nfs/dbraw/zinc/82/68/21/700826821.db2.gz JWXPZERNKNOZRS-LBPRGKRZSA-N -1 3 371.352 3.331 20 0 FGADHM CCCOc1ccc([N-]S(=O)(=O)c2ccc3oc(=O)ccc3c2)cc1 ZINC000133061107 700834522 /nfs/dbraw/zinc/83/45/22/700834522.db2.gz KBRJBZNMBMRYKN-UHFFFAOYSA-N -1 3 359.403 3.383 20 0 FGADHM O=C(NC[C@@H]1CCCCO1)NN=c1[n-]c(Cl)c(Cl)cc1Cl ZINC000139717228 704878708 /nfs/dbraw/zinc/87/87/08/704878708.db2.gz XKIFTYAYGPGFMB-ZETCQYMHSA-N -1 3 353.637 3.237 20 0 FGADHM O=C1OCCN1c1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2F)cc1 ZINC000150838729 704902830 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C[C@H](Cc1ccc(F)c(Br)c1)C(=O)[N-]O[C@H]1CCCCO1 ZINC000158736772 705196908 /nfs/dbraw/zinc/19/69/08/705196908.db2.gz PABSENSSOSOUCN-YGRLFVJLSA-N -1 3 360.223 3.341 20 0 FGADHM O=S(=O)([N-]C[C@H](O)c1ccc(F)cc1)c1c(Cl)cccc1Cl ZINC000159029898 705208071 /nfs/dbraw/zinc/20/80/71/705208071.db2.gz JLEHPKNXSYGFRA-ZDUSSCGKSA-N -1 3 364.225 3.144 20 0 FGADHM O=S(=O)([N-]C[C@H](O)c1ccc(F)cc1)c1cccc(Cl)c1Cl ZINC000159075195 705210052 /nfs/dbraw/zinc/21/00/52/705210052.db2.gz HLVZWELIVYHQNH-LBPRGKRZSA-N -1 3 364.225 3.144 20 0 FGADHM Cc1ccc([C@@H](O)C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000159436818 705223793 /nfs/dbraw/zinc/22/37/93/705223793.db2.gz XAKWVMVDDAYDJE-AWEZNQCLSA-N -1 3 360.262 3.314 20 0 FGADHM O=C(Cc1ccc(OCc2ccccn2)cc1)[N-]OCCC(F)(F)F ZINC000162635997 705300600 /nfs/dbraw/zinc/30/06/00/705300600.db2.gz XUTYLRAYICSSIQ-UHFFFAOYSA-N -1 3 354.328 3.203 20 0 FGADHM CS[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)C1 ZINC000172265193 705412539 /nfs/dbraw/zinc/41/25/39/705412539.db2.gz 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Cc1cccc(OCCC[N-]S(=O)(=O)c2cnccc2C(F)(F)F)c1 ZINC000785473440 724915152 /nfs/dbraw/zinc/91/51/52/724915152.db2.gz HDCIVWVSONZXBM-UHFFFAOYSA-N -1 3 374.384 3.156 20 0 FGADHM CC[C@]1(C)Oc2ccc([N-]S(=O)(=O)c3ccc4c(c3)CCO4)cc2O1 ZINC000785485356 724916051 /nfs/dbraw/zinc/91/60/51/724916051.db2.gz FNGWRUCDPYJIIP-GOSISDBHSA-N -1 3 361.419 3.320 20 0 FGADHM CC[C@H](Sc1ccccc1)C(=O)OCC(=O)[N-]C(=O)c1cccs1 ZINC000785922525 724948058 /nfs/dbraw/zinc/94/80/58/724948058.db2.gz AGXSOQBLEFPIFT-ZDUSSCGKSA-N -1 3 363.460 3.119 20 0 FGADHM CCS(=O)(=O)CCCCCOC(=O)c1cc2sccc2c([O-])c1 ZINC000786140600 724962565 /nfs/dbraw/zinc/96/25/65/724962565.db2.gz DVIGCTGJAUNVRB-UHFFFAOYSA-N -1 3 356.465 3.369 20 0 FGADHM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)cnc2Cl)cc1 ZINC000786880001 725004889 /nfs/dbraw/zinc/00/48/89/725004889.db2.gz JJRCEBUQEYUYTR-UHFFFAOYSA-N -1 3 353.831 3.193 20 0 FGADHM Cc1sc2[n-]c([C@H](C)OC(=O)[C@H]3CCCOCC3)nc(=O)c2c1C ZINC000787095359 725016306 /nfs/dbraw/zinc/01/63/06/725016306.db2.gz 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ZINC000806594417 725135961 /nfs/dbraw/zinc/13/59/61/725135961.db2.gz KIBOAGMQRLFXCD-OBJOEFQTSA-N -1 3 373.444 3.469 20 0 FGADHM Cc1ccc(-c2cc(C(=O)O[C@H]([C@H]3CCCOC3)C(F)(F)F)n[n-]2)o1 ZINC000789640171 725140203 /nfs/dbraw/zinc/14/02/03/725140203.db2.gz WKBUDQRQOFNHOI-IINYFYTJSA-N -1 3 358.316 3.492 20 0 FGADHM Cc1ccc(-c2cc(C(=O)O[C@H]([C@H]3CCCOC3)C(F)(F)F)[n-]n2)o1 ZINC000789640171 725140205 /nfs/dbraw/zinc/14/02/05/725140205.db2.gz WKBUDQRQOFNHOI-IINYFYTJSA-N -1 3 358.316 3.492 20 0 FGADHM CC[C@@H](CC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C)C(C)C ZINC000807706353 725166477 /nfs/dbraw/zinc/16/64/77/725166477.db2.gz LXPYSBBBHHTXBY-ABHRYQDASA-N -1 3 350.425 3.363 20 0 FGADHM Cc1c([N-]S(=O)(=O)C[C@H]2CCCOC2)cnn1-c1ccc(Cl)cc1 ZINC000808129149 725185257 /nfs/dbraw/zinc/18/52/57/725185257.db2.gz LONCLCVGHBCINQ-ZDUSSCGKSA-N -1 3 369.874 3.002 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)[C@H](O)c1ccccc1 ZINC000808339746 725195329 /nfs/dbraw/zinc/19/53/29/725195329.db2.gz VUBKBRNPNJSPQW-YGRLFVJLSA-N -1 3 360.262 3.394 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)[C@H](O)c1ccccc1 ZINC000808342176 725195491 /nfs/dbraw/zinc/19/54/91/725195491.db2.gz ZXFDMCHEKQTFHG-BMIGLBTASA-N -1 3 360.262 3.394 20 0 FGADHM O=C(OC1CCN(c2ccncn2)CC1)c1cc2cc(Cl)sc2[n-]1 ZINC000810638580 725319079 /nfs/dbraw/zinc/31/90/79/725319079.db2.gz LJLFSNVTBSCBGU-UHFFFAOYSA-N -1 3 362.842 3.499 20 0 FGADHM COc1ccccc1CO[N-]C(=O)[C@@H]1CCN(c2ccccc2Cl)C1 ZINC000810715726 725324798 /nfs/dbraw/zinc/32/47/98/725324798.db2.gz QAYUQNBJYGYUFU-CQSZACIVSA-N -1 3 360.841 3.423 20 0 FGADHM C[C@@H](OC(=O)c1cc2cc(Cl)sc2[n-]1)C(=O)NCc1ccccn1 ZINC000810827340 725329908 /nfs/dbraw/zinc/32/99/08/725329908.db2.gz UDCWTGPMXONSSI-SECBINFHSA-N -1 3 363.826 3.140 20 0 FGADHM Cc1ccccc1C1(C(=O)OCCC[N-]C(=O)C(F)(F)F)CCCC1 ZINC000811267728 725354345 /nfs/dbraw/zinc/35/43/45/725354345.db2.gz CRYHHDFHQXUSCX-UHFFFAOYSA-N -1 3 357.372 3.419 20 0 FGADHM COC(=O)c1cc(Cl)cc([N-]S(=O)(=O)CCc2cccs2)c1 ZINC000811684454 725376755 /nfs/dbraw/zinc/37/67/55/725376755.db2.gz KNBIKYVDGHSBQG-UHFFFAOYSA-N -1 3 359.856 3.173 20 0 FGADHM CCN(c1ccc([N-]S(=O)(=O)c2ccc(N(C)C)nc2)cc1)C(C)C ZINC000811822626 725381881 /nfs/dbraw/zinc/38/18/81/725381881.db2.gz KUTOYSOWCFFJHS-UHFFFAOYSA-N -1 3 362.499 3.183 20 0 FGADHM CCCCCC[C@@H](C)NC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000811855200 725383122 /nfs/dbraw/zinc/38/31/22/725383122.db2.gz XOGSHQPFNOTZIO-KGLIPLIRSA-N -1 3 365.440 3.445 20 0 FGADHM CC1(C)CCC(NC(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)CC1 ZINC000812056860 725388325 /nfs/dbraw/zinc/38/83/25/725388325.db2.gz OFBHRIMFGFUYCI-GFCCVEGCSA-N -1 3 363.424 3.055 20 0 FGADHM CCC1(C(=O)[N-]OC/C=C/Cl)CCN(C(=O)c2ccccc2)CC1 ZINC000812402691 725396008 /nfs/dbraw/zinc/39/60/08/725396008.db2.gz HUYONZJMOIRXPT-IZZDOVSWSA-N -1 3 350.846 3.119 20 0 FGADHM CCN(CC(C)(C)C)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000813321707 726861371 /nfs/dbraw/zinc/86/13/71/726861371.db2.gz FEWHZUOFASHXMV-UHFFFAOYSA-N -1 3 358.479 3.021 20 0 FGADHM CC(C)(C)C[C@@H](O)CC(=O)[N-]OCc1ccc(F)cc1Br ZINC000813530053 726890843 /nfs/dbraw/zinc/89/08/43/726890843.db2.gz GWQZNMVUFBPOAZ-LBPRGKRZSA-N -1 3 362.239 3.323 20 0 FGADHM CS[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)C1 ZINC000813673746 726904120 /nfs/dbraw/zinc/90/41/20/726904120.db2.gz CXXSXHLIKTYXNH-DTWKUNHWSA-N -1 3 373.393 3.287 20 0 FGADHM Cc1ccoc1C[N-]S(=O)(=O)c1cc2ccc(Cl)nc2cc1F ZINC000813744093 726910532 /nfs/dbraw/zinc/91/05/32/726910532.db2.gz AHNWMOHLXIESOV-UHFFFAOYSA-N -1 3 354.790 3.407 20 0 FGADHM C[C@H]1CN(Cc2c(F)ccc([O-])c2F)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000816510905 727169725 /nfs/dbraw/zinc/16/97/25/727169725.db2.gz JGNFGEKOEFOZQM-FZMZJTMJSA-N -1 3 356.413 3.406 20 0 FGADHM CON(C)C(=O)c1cc(F)ccc1NC(=O)c1cc([O-])ccc1Cl ZINC000816609693 727180001 /nfs/dbraw/zinc/18/00/01/727180001.db2.gz JNAQSUPJHBVKSU-UHFFFAOYSA-N -1 3 352.749 3.070 20 0 FGADHM COc1ccc(C(=O)Nc2cccc(C(C)=O)c2[O-])nc1Br ZINC000816620844 727181694 /nfs/dbraw/zinc/18/16/94/727181694.db2.gz NYWTZXKXAMTILX-UHFFFAOYSA-N -1 3 365.183 3.013 20 0 FGADHM C[C@H]([N-]C(=O)C(F)(F)c1ccccc1)c1ncc(Br)cn1 ZINC000817271359 727234408 /nfs/dbraw/zinc/23/44/08/727234408.db2.gz AGJHRDHWQHRUGT-VIFPVBQESA-N -1 3 356.170 3.208 20 0 FGADHM O=C([N-]C[C@H]1Cc2ccccc2N1CC[C@H]1CCCCO1)C(F)(F)F ZINC000817290629 727236762 /nfs/dbraw/zinc/23/67/62/727236762.db2.gz ABRMEGBZDWXWON-HUUCEWRRSA-N -1 3 356.388 3.055 20 0 FGADHM COc1ccc(NC(=O)COC(=O)c2cc3ccsc3[n-]2)cc1OC ZINC000817704492 727278031 /nfs/dbraw/zinc/27/80/31/727278031.db2.gz IPZHRSGSPKVFNA-UHFFFAOYSA-N -1 3 360.391 3.042 20 0 FGADHM Cc1ncc2c(n1)CCC[C@@H]2[N-]C(=O)C(F)(F)c1cc(F)cc(F)c1 ZINC000820049514 728963713 /nfs/dbraw/zinc/96/37/13/728963713.db2.gz CSZFLNILNIHNCY-HNNXBMFYSA-N -1 3 353.319 3.349 20 0 FGADHM O=C(OCC[C@@H]1CC1(Cl)Cl)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000820251603 728978655 /nfs/dbraw/zinc/97/86/55/728978655.db2.gz ZRSXPMKBZYSSIC-DGCLKSJQSA-N -1 3 372.248 3.124 20 0 FGADHM O=C(Nc1c([O-])cccc1Cl)[C@@H]1CC(c2c(F)cccc2F)=NO1 ZINC000820510146 729000704 /nfs/dbraw/zinc/00/07/04/729000704.db2.gz MUUCYOUMOWFUAK-ZDUSSCGKSA-N -1 3 352.724 3.456 20 0 FGADHM C[C@@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1cc(F)ccc1F ZINC000820556952 729004020 /nfs/dbraw/zinc/00/40/20/729004020.db2.gz WSDLXBSBRKCGGN-SECBINFHSA-N -1 3 361.377 3.264 20 0 FGADHM C[C@@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1cc(F)ccc1F ZINC000820556952 729004023 /nfs/dbraw/zinc/00/40/23/729004023.db2.gz WSDLXBSBRKCGGN-SECBINFHSA-N -1 3 361.377 3.264 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(N=S(C)(C)=O)cc2)cc1C ZINC000821112088 729059335 /nfs/dbraw/zinc/05/93/35/729059335.db2.gz ZDCTXZLDJQCWMN-UHFFFAOYSA-N -1 3 368.480 3.164 20 0 FGADHM Cc1cccc(Cl)c1NC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000822304408 729160868 /nfs/dbraw/zinc/16/08/68/729160868.db2.gz XLPNHYLVKTYWLR-LLVKDONJSA-N -1 3 357.801 3.235 20 0 FGADHM CC(C)C[C@@H](CCO)CNc1ccc(Br)cc1-c1nnn[n-]1 ZINC000824236892 729326180 /nfs/dbraw/zinc/32/61/80/729326180.db2.gz PQIBOFUAJSHTPX-LLVKDONJSA-N -1 3 368.279 3.086 20 0 FGADHM CC(C)C[C@@H](CCO)CNc1ccc(Br)cc1-c1nn[n-]n1 ZINC000824236892 729326182 /nfs/dbraw/zinc/32/61/82/729326182.db2.gz PQIBOFUAJSHTPX-LLVKDONJSA-N -1 3 368.279 3.086 20 0 FGADHM CC(C)CN(C(=O)CSc1cccc(Cl)c1-c1nnn[n-]1)C1CC1 ZINC000824249608 729326902 /nfs/dbraw/zinc/32/69/02/729326902.db2.gz PZGAHFXCBKSDHK-UHFFFAOYSA-N -1 3 365.890 3.259 20 0 FGADHM CC(C)CN(C(=O)CSc1cccc(Cl)c1-c1nn[n-]n1)C1CC1 ZINC000824249608 729326904 /nfs/dbraw/zinc/32/69/04/729326904.db2.gz PZGAHFXCBKSDHK-UHFFFAOYSA-N -1 3 365.890 3.259 20 0 FGADHM CC(C)c1cnc(COC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)s1 ZINC000824352537 729332550 /nfs/dbraw/zinc/33/25/50/729332550.db2.gz HQGKUORCNRTQPI-UHFFFAOYSA-N -1 3 365.365 3.082 20 0 FGADHM CC(C)c1cnc(COC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)s1 ZINC000824352537 729332552 /nfs/dbraw/zinc/33/25/52/729332552.db2.gz HQGKUORCNRTQPI-UHFFFAOYSA-N -1 3 365.365 3.082 20 0 FGADHM C[C@H](CN(C)c1c(-c2nnn[n-]2)cnc2ccccc21)c1nccs1 ZINC000824412996 729336734 /nfs/dbraw/zinc/33/67/34/729336734.db2.gz IHCCQPPCYJEQCW-LLVKDONJSA-N -1 3 351.439 3.111 20 0 FGADHM C[C@H](CN(C)c1c(-c2nn[n-]n2)cnc2ccccc21)c1nccs1 ZINC000824412996 729336735 /nfs/dbraw/zinc/33/67/35/729336735.db2.gz IHCCQPPCYJEQCW-LLVKDONJSA-N -1 3 351.439 3.111 20 0 FGADHM C[C@@H](Cc1ccncc1)Nc1ccc(Br)cc1-c1nnn[n-]1 ZINC000824465654 729340791 /nfs/dbraw/zinc/34/07/91/729340791.db2.gz QQUYMCAGPKBCBB-JTQLQIEISA-N -1 3 359.231 3.067 20 0 FGADHM C[C@@H](Cc1ccncc1)Nc1ccc(Br)cc1-c1nn[n-]n1 ZINC000824465654 729340794 /nfs/dbraw/zinc/34/07/94/729340794.db2.gz QQUYMCAGPKBCBB-JTQLQIEISA-N -1 3 359.231 3.067 20 0 FGADHM CCN(C)c1ccc(CSc2nnc(C)c(C)c2-c2nnn[n-]2)cc1 ZINC000825394463 729381693 /nfs/dbraw/zinc/38/16/93/729381693.db2.gz DNLBENWGNREOTI-UHFFFAOYSA-N -1 3 355.471 3.022 20 0 FGADHM CCN(C)c1ccc(CSc2nnc(C)c(C)c2-c2nn[n-]n2)cc1 ZINC000825394463 729381694 /nfs/dbraw/zinc/38/16/94/729381694.db2.gz DNLBENWGNREOTI-UHFFFAOYSA-N -1 3 355.471 3.022 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)[C@@H]1CC[C@@H](C)C1 ZINC000825603755 729389263 /nfs/dbraw/zinc/38/92/63/729389263.db2.gz BASFMDIHFXFPFS-NXEZZACHSA-N -1 3 350.806 3.260 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)[C@@H]1CC[C@@H](C)C1 ZINC000825603755 729389264 /nfs/dbraw/zinc/38/92/64/729389264.db2.gz BASFMDIHFXFPFS-NXEZZACHSA-N -1 3 350.806 3.260 20 0 FGADHM COc1ccc(CNc2ncc(Cl)c(C)c2-c2nnn[n-]2)cc1Cl ZINC000826204406 729406197 /nfs/dbraw/zinc/40/61/97/729406197.db2.gz JVBPYKPQSBLUKI-UHFFFAOYSA-N -1 3 365.224 3.498 20 0 FGADHM COc1ccc(CNc2ncc(Cl)c(C)c2-c2nn[n-]n2)cc1Cl ZINC000826204406 729406199 /nfs/dbraw/zinc/40/61/99/729406199.db2.gz JVBPYKPQSBLUKI-UHFFFAOYSA-N -1 3 365.224 3.498 20 0 FGADHM CSc1ccc(OCCSc2nnc(C)c(C)c2-c2nnn[n-]2)cc1 ZINC000826230717 729406494 /nfs/dbraw/zinc/40/64/94/729406494.db2.gz HAMIVJVNSKNPFA-UHFFFAOYSA-N -1 3 374.495 3.167 20 0 FGADHM CSc1ccc(OCCSc2nnc(C)c(C)c2-c2nn[n-]n2)cc1 ZINC000826230717 729406495 /nfs/dbraw/zinc/40/64/95/729406495.db2.gz HAMIVJVNSKNPFA-UHFFFAOYSA-N -1 3 374.495 3.167 20 0 FGADHM Cc1ccnc(N(C)Cc2cc(Br)cs2)c1-c1nnn[n-]1 ZINC000826309305 729407069 /nfs/dbraw/zinc/40/70/69/729407069.db2.gz KTFMQZDWYWLMNE-UHFFFAOYSA-N -1 3 365.260 3.031 20 0 FGADHM Cc1ccnc(N(C)Cc2cc(Br)cs2)c1-c1nn[n-]n1 ZINC000826309305 729407070 /nfs/dbraw/zinc/40/70/70/729407070.db2.gz KTFMQZDWYWLMNE-UHFFFAOYSA-N -1 3 365.260 3.031 20 0 FGADHM Cc1ccnc(N(C)Cc2csc(Br)c2)c1-c1nnn[n-]1 ZINC000826309024 729407150 /nfs/dbraw/zinc/40/71/50/729407150.db2.gz AKOUGCSYZFWWMS-UHFFFAOYSA-N -1 3 365.260 3.031 20 0 FGADHM Cc1ccnc(N(C)Cc2csc(Br)c2)c1-c1nn[n-]n1 ZINC000826309024 729407152 /nfs/dbraw/zinc/40/71/52/729407152.db2.gz AKOUGCSYZFWWMS-UHFFFAOYSA-N -1 3 365.260 3.031 20 0 FGADHM O=C(CSc1cccc(Cl)c1-c1nnn[n-]1)NCC1CCCCC1 ZINC000826420962 729407886 /nfs/dbraw/zinc/40/78/86/729407886.db2.gz LHBVBHAQMDNGCZ-UHFFFAOYSA-N -1 3 365.890 3.309 20 0 FGADHM O=C(CSc1cccc(Cl)c1-c1nn[n-]n1)NCC1CCCCC1 ZINC000826420962 729407887 /nfs/dbraw/zinc/40/78/87/729407887.db2.gz LHBVBHAQMDNGCZ-UHFFFAOYSA-N -1 3 365.890 3.309 20 0 FGADHM CCOc1ccccc1C(F)(F)C(=O)[N-]Cc1nn(C)cc1C(F)F ZINC000826771920 729414738 /nfs/dbraw/zinc/41/47/38/729414738.db2.gz XITJNNAUUMZLLN-UHFFFAOYSA-N -1 3 359.323 3.165 20 0 FGADHM O=C(NCC[C@@H]1CC1(Cl)Cl)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC000826857215 729417095 /nfs/dbraw/zinc/41/70/95/729417095.db2.gz HPMISPQYPXURJN-SSDOTTSWSA-N -1 3 361.175 3.120 20 0 FGADHM C[C@@H]1CCN(Cc2c[nH]nc2-c2cccs2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000827849934 729435898 /nfs/dbraw/zinc/43/58/98/729435898.db2.gz JIIXWJUVOUCMDV-PWSUYJOCSA-N -1 3 372.416 3.027 20 0 FGADHM O=C(OCCCN1C(=O)c2ccccc2C1=O)c1cc(Cl)c(Cl)[n-]1 ZINC000828629768 729446010 /nfs/dbraw/zinc/44/60/10/729446010.db2.gz VUGWONNZVYSMGX-UHFFFAOYSA-N -1 3 367.188 3.165 20 0 FGADHM CCC[C@H]([N-]S(=O)(=O)c1ccc(Cl)nc1C(=O)OC)C(C)(C)C ZINC000832093967 729688724 /nfs/dbraw/zinc/68/87/24/729688724.db2.gz KIBLGUHGPATDET-NSHDSACASA-N -1 3 362.879 3.015 20 0 FGADHM O=C(CCCc1ccc([O-])c(F)c1)NCCOC(F)(F)C(F)(F)F ZINC000834449882 729804145 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C[C@@H](NC(=O)c1cc([O-])cc(Br)c1)c1cc2n(n1)CCCC2 ZINC000898389453 742787794 /nfs/dbraw/zinc/78/77/94/742787794.db2.gz NEGMNKYFNAITPB-SNVBAGLBSA-N -1 3 364.243 3.179 20 0 FGADHM CC(=Cc1c(Cl)cccc1Cl)C(=O)NCCCc1c[n-][nH]c1=O ZINC000898739761 742828201 /nfs/dbraw/zinc/82/82/01/742828201.db2.gz MHHFKJZOYZDVIH-IEHMKBBKSA-N -1 3 354.237 3.025 20 0 FGADHM Cc1cccc(CO[N-]C(=O)[C@H]2[C@@H]3c4cccc(Br)c4C[C@H]23)n1 ZINC000898928716 742844220 /nfs/dbraw/zinc/84/42/20/742844220.db2.gz LNVIGMLXMZTAEN-USXIJHARSA-N -1 3 373.250 3.286 20 0 FGADHM CC(C)C[C@](C)(CNCc1cn(-c2ccc(F)c(Cl)c2)nn1)C(=O)[O-] ZINC000900053480 743051317 /nfs/dbraw/zinc/05/13/17/743051317.db2.gz IRCAIMGUDDCTGH-QGZVFWFLSA-N -1 3 368.840 3.286 20 0 FGADHM O=C([O-])c1cc2n(n1)CCC[C@H]2NCc1ccccc1CC(F)(F)F ZINC000900074484 743058774 /nfs/dbraw/zinc/05/87/74/743058774.db2.gz SXWXYPJFQBTCQM-CYBMUJFWSA-N -1 3 353.344 3.311 20 0 FGADHM O=C([O-])C1(CCCCNCc2ncc(Br)cc2F)CCC1 ZINC000900080845 743061101 /nfs/dbraw/zinc/06/11/01/743061101.db2.gz 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3.061 20 0 FGADHM Cc1nn(-c2ccc(Cl)cc2)cc1CN1CCSC[C@H](C(=O)[O-])C1 ZINC000901889221 743667717 /nfs/dbraw/zinc/66/77/17/743667717.db2.gz GCJXXSZFIAEXON-CQSZACIVSA-N -1 3 365.886 3.084 20 0 FGADHM Cc1nn(CCC(=O)[O-])c(C)c1CN1CCC(OCCC(C)C)CC1 ZINC000902190991 743720036 /nfs/dbraw/zinc/72/00/36/743720036.db2.gz GKYXNAXCEIWLOL-UHFFFAOYSA-N -1 3 351.491 3.002 20 0 FGADHM O=C([O-])c1csc(CNCc2ccc(COC3CCOCC3)cc2)c1 ZINC000902359081 743736578 /nfs/dbraw/zinc/73/65/78/743736578.db2.gz MEZMLDVJFOYCKQ-UHFFFAOYSA-N -1 3 361.463 3.432 20 0 FGADHM C[C@H](Oc1ccc(CN2CC[C@]3(CC(F)(F)C3(F)F)C2)cc1)C(=O)[O-] ZINC000902549495 743756240 /nfs/dbraw/zinc/75/62/40/743756240.db2.gz MLHAMEZJLMMAKF-NHYWBVRUSA-N -1 3 361.335 3.405 20 0 FGADHM C[C@]1(C[N-]C(=O)C(F)(F)c2ncc(C(F)(F)F)cc2Cl)CCOC1 ZINC000902862390 743782021 /nfs/dbraw/zinc/78/20/21/743782021.db2.gz ZKHJRDUFVRWQPR-GFCCVEGCSA-N -1 3 372.721 3.388 20 0 FGADHM C[C@H](NCc1cccc(NS(=O)(=O)C2CC2)c1)c1cccc([O-])c1F ZINC000903425739 743848951 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FGADHM O=C([O-])[C@H]1CC[C@H](CNCc2ncc(Br)cc2Cl)CC1 ZINC000903989175 743909024 /nfs/dbraw/zinc/90/90/24/743909024.db2.gz SNYLCFJDDXWPKW-MGCOHNPYSA-N -1 3 361.667 3.478 20 0 FGADHM CC[C@@]1(C(=O)[O-])CCCN(Cc2cc3c(C)nn(C)c3nc2Cl)C1 ZINC000904400180 743952379 /nfs/dbraw/zinc/95/23/79/743952379.db2.gz FVLDMXROHZGKIK-QGZVFWFLSA-N -1 3 350.850 3.007 20 0 FGADHM Cn1cc(-c2ccc(CN3CCC(C(=O)[O-])(C(F)(F)F)CC3)s2)cn1 ZINC000905737681 744049727 /nfs/dbraw/zinc/04/97/27/744049727.db2.gz JDXVHCCMWORBLU-UHFFFAOYSA-N -1 3 373.400 3.378 20 0 FGADHM Cc1cc(C)c2cc([N-]S(=O)(=O)N=[S@](C)(=O)C(C)(C)C)ccc2n1 ZINC000906073283 744089266 /nfs/dbraw/zinc/08/92/66/744089266.db2.gz QUYNCGFDGXRZDQ-HSZRJFAPSA-N -1 3 369.512 3.405 20 0 FGADHM O=C([N-]C1(c2ncccn2)CCOCC1)C(F)(F)c1cccc(Cl)c1 ZINC000906464614 744134975 /nfs/dbraw/zinc/13/49/75/744134975.db2.gz LHTUQDVDJXIFPS-UHFFFAOYSA-N -1 3 367.783 3.044 20 0 FGADHM C[C@H]1CN(C(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)C[C@H](C)S1 ZINC000906824933 744163102 /nfs/dbraw/zinc/16/31/02/744163102.db2.gz DVZJHWOMIZZWOX-UWVGGRQHSA-N -1 3 357.501 3.456 20 0 FGADHM Cc1ncc(CCNC(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)s1 ZINC000907077811 744183864 /nfs/dbraw/zinc/18/38/64/744183864.db2.gz AEFVTXSJPPASNR-UHFFFAOYSA-N -1 3 368.484 3.228 20 0 FGADHM CCc1cnccc1CNC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000907243549 744197144 /nfs/dbraw/zinc/19/71/44/744197144.db2.gz KSIBNFXPNPTJQX-UHFFFAOYSA-N -1 3 362.455 3.378 20 0 FGADHM COc1cccc(C(F)(F)C(=O)[N-]Cc2ccc(OC(F)F)cn2)c1 ZINC000907796439 744237721 /nfs/dbraw/zinc/23/77/21/744237721.db2.gz MVTXFQSKGUMFDS-UHFFFAOYSA-N -1 3 358.291 3.100 20 0 FGADHM Cc1cc(S(=O)(=O)[N-][C@H](C)c2cncs2)sc1Br ZINC000907932351 744248412 /nfs/dbraw/zinc/24/84/12/744248412.db2.gz NTBGHLQSPFBARR-SSDOTTSWSA-N -1 3 367.315 3.315 20 0 FGADHM CO[C@H]1CCCC[C@@H]1NC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000908007106 744253660 /nfs/dbraw/zinc/25/36/60/744253660.db2.gz KNSMQGVGWAZSLF-QWRGUYRKSA-N -1 3 355.460 3.178 20 0 FGADHM CCC[C@]1(NC(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)CCOC1 ZINC000908153828 744264340 /nfs/dbraw/zinc/26/43/40/744264340.db2.gz BDLVOLAEUGUTCK-INIZCTEOSA-N -1 3 355.460 3.179 20 0 FGADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N2CC[C@H](O)C23CCCC3)s1 ZINC000908400461 744286378 /nfs/dbraw/zinc/28/63/78/744286378.db2.gz HWILTDVGNLNLML-LBPRGKRZSA-N -1 3 367.471 3.010 20 0 FGADHM O=C(Nc1cccc(Cc2nnn[n-]2)c1)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000910041080 744410326 /nfs/dbraw/zinc/41/03/26/744410326.db2.gz HOXOMMUULYVLBN-NEPJUHHUSA-N -1 3 353.348 3.098 20 0 FGADHM O=C(Nc1cccc(Cc2nn[n-]n2)c1)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000910041080 744410330 /nfs/dbraw/zinc/41/03/30/744410330.db2.gz HOXOMMUULYVLBN-NEPJUHHUSA-N -1 3 353.348 3.098 20 0 FGADHM C[C@@H](C(=O)N[C@](C)(Cc1ccc(Cl)cc1)C(=O)[O-])N1CCCCCC1 ZINC000910313862 744438927 /nfs/dbraw/zinc/43/89/27/744438927.db2.gz JSHYYMUFIJDFCK-IFXJQAMLSA-N -1 3 366.889 3.107 20 0 FGADHM C[C@@H](NC(=O)c1ccsc1C(F)F)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000935971651 761983127 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CSc1ccc(NC(=O)COC(=O)c2cc(-c3ccco3)[n-]n2)cc1 ZINC000913302052 757492550 /nfs/dbraw/zinc/49/25/50/757492550.db2.gz MIILAHPFWWMANC-UHFFFAOYSA-N -1 3 357.391 3.187 20 0 FGADHM CSc1ccc(NC(=O)COC(=O)c2cc(-c3ccco3)n[n-]2)cc1 ZINC000913302052 757492551 /nfs/dbraw/zinc/49/25/51/757492551.db2.gz MIILAHPFWWMANC-UHFFFAOYSA-N -1 3 357.391 3.187 20 0 FGADHM CC(C)[C@@H]([N-]S(=O)(=O)CCCc1ccccc1)c1nc(C2CC2)no1 ZINC000914056544 757675607 /nfs/dbraw/zinc/67/56/07/757675607.db2.gz KOKOCYSGOXEVHA-MRXNPFEDSA-N -1 3 363.483 3.196 20 0 FGADHM C[C@H]([N-]S(=O)(=O)[C@@H]1C[C@H]1c1cccc(F)c1)c1nc(C(C)(C)C)no1 ZINC000914206429 757718231 /nfs/dbraw/zinc/71/82/31/757718231.db2.gz ORJHXVPHPLHKIV-LEWSCRJBSA-N -1 3 367.446 3.043 20 0 FGADHM C[C@@H]1CCCC[C@H]1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000914602569 757809531 /nfs/dbraw/zinc/80/95/31/757809531.db2.gz ATQPWZZLFUKPOG-IUODEOHRSA-N -1 3 370.490 3.211 20 0 FGADHM Cc1ccccc1CCNC(=O)[C@H](C)OC(=O)c1cc2ccsc2[n-]1 ZINC000914891763 757855832 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CC(=O)Nc1ccc([O-])c(C(=O)NCc2cccc(Br)c2)c1 ZINC000055217169 494314693 /nfs/dbraw/zinc/31/46/93/494314693.db2.gz TZNKFOVIENIXCW-UHFFFAOYSA-N -1 3 363.211 3.043 20 0 FGADHM C[C@@H]1Oc2ccccc2[C@@H]1[N-]S(=O)(=O)c1c[nH]c2nccc(Cl)c12 ZINC000580250800 505713103 /nfs/dbraw/zinc/71/31/03/505713103.db2.gz LFRZQKNYZCKQIT-BJOHPYRUSA-N -1 3 363.826 3.017 20 0 FGADHM CC[C@H](C)NC(=O)[C@@H](C)Sc1n[n-]c(COc2ccc(Cl)cc2)n1 ZINC000078604147 494328576 /nfs/dbraw/zinc/32/85/76/494328576.db2.gz JKRPJHPWYVZFRU-WDEREUQCSA-N -1 3 368.890 3.432 20 0 FGADHM COCCCCN(Cc1ccccc1)Cc1nc(=O)c2sccc2[n-]1 ZINC000066475024 494342006 /nfs/dbraw/zinc/34/20/06/494342006.db2.gz RPCDBURAKHLFKV-UHFFFAOYSA-N -1 3 357.479 3.413 20 0 FGADHM CC(C)[C@H](NC(=O)C[C@@H]1NC(=O)[N-]C1=O)c1ccc(C2CCCCC2)cc1 ZINC000044250277 494344523 /nfs/dbraw/zinc/34/45/23/494344523.db2.gz RQFWTEAWBMAERL-HKUYNNGSSA-N -1 3 371.481 3.146 20 0 FGADHM O=C([O-])c1cccc(Cl)c1CN1CCC(CN2CCCCC2=O)CC1 ZINC000568520579 505714899 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/nfs/dbraw/zinc/87/96/10/494879610.db2.gz WUEIAJNERGOIIQ-UHFFFAOYSA-N -1 3 355.781 3.361 20 0 FGADHM C[C@H]1CCCC[C@H]1c1noc(CC[N-]S(=O)(=O)c2ccccc2F)n1 ZINC000574326081 505747677 /nfs/dbraw/zinc/74/76/77/505747677.db2.gz ABKVDWCMUTUMLA-QWHCGFSZSA-N -1 3 367.446 3.023 20 0 FGADHM CC(C)[C@H](Sc1n[n-]c(-c2ccccn2)n1)C(=O)N1CCC[C@H](C)C1 ZINC000117114477 494891569 /nfs/dbraw/zinc/89/15/69/494891569.db2.gz BXJHVWQKQPJZGF-ZFWWWQNUSA-N -1 3 359.499 3.242 20 0 FGADHM C[C@@H](Sc1n[n-]c(-c2ccccn2)n1)C(=O)N1c2ccccc2C[C@H]1C ZINC000117113231 494892445 /nfs/dbraw/zinc/89/24/45/494892445.db2.gz XWFXKHLQKZXIJF-CHWSQXEVSA-N -1 3 365.462 3.325 20 0 FGADHM C[C@H](Sc1n[n-]c(-c2ccccn2)n1)C(=O)NCCC1=CCCCC1 ZINC000117116517 494893229 /nfs/dbraw/zinc/89/32/29/494893229.db2.gz MEVSPAKLKHGTNS-ZDUSSCGKSA-N -1 3 357.483 3.354 20 0 FGADHM CC1(C)CCC[C@@H]1[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000094268807 494956133 /nfs/dbraw/zinc/95/61/33/494956133.db2.gz WLGJBAKAEOBZKT-LBPRGKRZSA-N -1 3 350.253 3.445 20 0 FGADHM 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O=C(N[C@H](CC(=O)N1CCC[C@@H](F)C1)c1ccccc1)c1ccc([O-])cc1 ZINC000571575541 505764698 /nfs/dbraw/zinc/76/46/98/505764698.db2.gz UPESECIKOTVBIX-IEBWSBKVSA-N -1 3 370.424 3.214 20 0 FGADHM COc1ccc(F)c([N-]S(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3)c1 ZINC000123685000 495171016 /nfs/dbraw/zinc/17/10/16/495171016.db2.gz SKVIIBNSQWKRMX-UHFFFAOYSA-N -1 3 372.377 3.354 20 0 FGADHM CC[C@@H]1CCN1C(=O)c1sccc1S(=O)(=O)[N-]C1CCCCCC1 ZINC000574402757 505765296 /nfs/dbraw/zinc/76/52/96/505765296.db2.gz SGIICSRSDUFIQW-CQSZACIVSA-N -1 3 370.540 3.374 20 0 FGADHM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-]c1cccc(C)c1Cl ZINC000134605480 495174641 /nfs/dbraw/zinc/17/46/41/495174641.db2.gz YNGDJMWQDGSIKF-UHFFFAOYSA-N -1 3 357.790 3.375 20 0 FGADHM [O-]c1ccc(Br)c(CN2CCC[C@H]2[C@H](O)C(F)(F)F)c1 ZINC000123737659 495178749 /nfs/dbraw/zinc/17/87/49/495178749.db2.gz WJBGMPPINFBSPO-RYUDHWBXSA-N -1 3 354.166 3.042 20 0 FGADHM CC(=O)Nc1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)C(F)(F)F)cc1 ZINC000119541752 495186994 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Cc1cc(OC(F)F)c(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000114259097 495357449 /nfs/dbraw/zinc/35/74/49/495357449.db2.gz RLHVWGYPYQYGNZ-UHFFFAOYSA-N -1 3 351.338 3.090 20 0 FGADHM O=S(=O)([N-][C@H](c1ccccc1)c1ccncc1)c1cc(F)cc(F)c1 ZINC000136151300 495360161 /nfs/dbraw/zinc/36/01/61/495360161.db2.gz SHRFONUKUOBVLT-GOSISDBHSA-N -1 3 360.385 3.428 20 0 FGADHM CC(C)c1cc(C[N-]S(=O)(=O)Cc2ccccc2C(F)(F)F)on1 ZINC000114499371 495386126 /nfs/dbraw/zinc/38/61/26/495386126.db2.gz WIVJCCGAEOBXKB-UHFFFAOYSA-N -1 3 362.373 3.436 20 0 FGADHM CC(C)c1cc(C[N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)on1 ZINC000114499563 495386294 /nfs/dbraw/zinc/38/62/94/495386294.db2.gz XHMSBNGAROFYNE-UHFFFAOYSA-N -1 3 364.345 3.175 20 0 FGADHM Cc1c(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)cnn1-c1cc(C)ccc1C ZINC000125156847 495399097 /nfs/dbraw/zinc/39/90/97/495399097.db2.gz OOOJCCCBFMFSGQ-UHFFFAOYSA-N -1 3 373.420 3.230 20 0 FGADHM Cc1c(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)cnn1-c1cc(C)ccc1C ZINC000125156847 495399100 /nfs/dbraw/zinc/39/91/00/495399100.db2.gz OOOJCCCBFMFSGQ-UHFFFAOYSA-N -1 3 373.420 3.230 20 0 FGADHM CS(=O)(=O)[N-]c1cc(C(=O)NCc2cccc3ccccc32)ccc1F ZINC000125238215 495411881 /nfs/dbraw/zinc/41/18/81/495411881.db2.gz LHYZOUYKGFSNAL-UHFFFAOYSA-N -1 3 372.421 3.280 20 0 FGADHM O=C(Cc1csc(-c2cccs2)n1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000125245509 495413110 /nfs/dbraw/zinc/41/31/10/495413110.db2.gz HTYPAVFGWKPHOP-UHFFFAOYSA-N -1 3 368.447 3.233 20 0 FGADHM O=C(Cc1csc(-c2cccs2)n1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000125245509 495413113 /nfs/dbraw/zinc/41/31/13/495413113.db2.gz HTYPAVFGWKPHOP-UHFFFAOYSA-N -1 3 368.447 3.233 20 0 FGADHM CCC(CC)CN(CC)Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[n-]1 ZINC000114725842 495417850 /nfs/dbraw/zinc/41/78/50/495417850.db2.gz UKPRFXDZRZUFQM-UHFFFAOYSA-N -1 3 365.499 3.338 20 0 FGADHM COc1cc(C(=O)Nc2ccc(N3CCCC3)c(F)c2)cc(OC)c1[O-] ZINC000137082871 495422869 /nfs/dbraw/zinc/42/28/69/495422869.db2.gz DSBGSFWWGKZJPO-UHFFFAOYSA-N -1 3 360.385 3.401 20 0 FGADHM CC(C)c1ncc(Cl)c(C(=O)[N-]c2ccccc2SCC(N)=O)n1 ZINC000120675865 495432543 /nfs/dbraw/zinc/43/25/43/495432543.db2.gz ASRGGGQMXDGCOY-UHFFFAOYSA-N -1 3 364.858 3.083 20 0 FGADHM COc1ccc(C(C)(C)C[N-]S(=O)(=O)c2ccccc2F)cc1OC ZINC000106234466 495439094 /nfs/dbraw/zinc/43/90/94/495439094.db2.gz HCBQTRLYVHNBFI-UHFFFAOYSA-N -1 3 367.442 3.099 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)NCc2oc3ccc(F)cc3c2C)c1 ZINC000120747659 495448587 /nfs/dbraw/zinc/44/85/87/495448587.db2.gz GSBHLAWHONXHEX-UHFFFAOYSA-N -1 3 356.353 3.474 20 0 FGADHM CCCCc1nnc([N-]C(=O)c2sc(-c3cnn(C)c3)nc2C)s1 ZINC000115002261 495449970 /nfs/dbraw/zinc/44/99/70/495449970.db2.gz YTLUINVLJMSFCJ-UHFFFAOYSA-N -1 3 362.484 3.298 20 0 FGADHM Cc1cc([N-]C(=O)[C@H](C)N2CCC(Oc3ccc(F)cc3F)CC2)on1 ZINC000120801119 495460503 /nfs/dbraw/zinc/46/05/03/495460503.db2.gz VWSXLGREPXGUNC-LBPRGKRZSA-N -1 3 365.380 3.132 20 0 FGADHM Cc1[nH]nc2ncc(C(=O)[N-]c3nnc(Cc4ccc(F)cc4)s3)cc12 ZINC000106831768 495499625 /nfs/dbraw/zinc/49/96/25/495499625.db2.gz 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/nfs/dbraw/zinc/53/89/66/495538966.db2.gz SAWKEYNJZNGWKL-UHFFFAOYSA-N -1 3 368.256 3.123 20 0 FGADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)Nc1cccc(C(F)F)c1 ZINC000170636000 495540527 /nfs/dbraw/zinc/54/05/27/495540527.db2.gz SIFNRTXQZIXSEH-UHFFFAOYSA-N -1 3 370.359 3.259 20 0 FGADHM CCOc1cc(C)ccc1NC(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC000185347887 495541225 /nfs/dbraw/zinc/54/12/25/495541225.db2.gz LAYJUXZZCVXAOL-UHFFFAOYSA-N -1 3 356.422 3.166 20 0 FGADHM CCC[C@H](C(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1)C(C)C ZINC000179332381 495546429 /nfs/dbraw/zinc/54/64/29/495546429.db2.gz VUEPHWOCGJHYBJ-HNNXBMFYSA-N -1 3 372.556 3.090 20 0 FGADHM O=C(Cc1ccc([O-])cc1Cl)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000158613159 495550798 /nfs/dbraw/zinc/55/07/98/495550798.db2.gz OQTLNCASMTXVFI-AWEZNQCLSA-N -1 3 370.840 3.037 20 0 FGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(SC)c(Cl)c2)c(C)o1 ZINC000176221695 495552103 /nfs/dbraw/zinc/55/21/03/495552103.db2.gz CMBPLSQQZVLORO-UHFFFAOYSA-N -1 3 374.871 3.124 20 0 FGADHM CCC(CC)c1cc(C[N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)on1 ZINC000173493246 495557802 /nfs/dbraw/zinc/55/78/02/495557802.db2.gz OXVSQJSTMUOGHT-GFCCVEGCSA-N -1 3 364.467 3.380 20 0 FGADHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N(CC)C[C@@H](C)CC ZINC000176264720 495569605 /nfs/dbraw/zinc/56/96/05/495569605.db2.gz UWSNIUCDIAKABE-NSHDSACASA-N -1 3 354.472 3.066 20 0 FGADHM O=c1cc(CN2CCC[C@@H]2C[C@H](O)c2ccco2)c2ccc([O-])cc2o1 ZINC000182457757 495571239 /nfs/dbraw/zinc/57/12/39/495571239.db2.gz SRKWZWSBUYXLJT-PBHICJAKSA-N -1 3 355.390 3.180 20 0 FGADHM O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc(O)cc1[O-] ZINC000179395627 495574522 /nfs/dbraw/zinc/57/45/22/495574522.db2.gz SEEMTYNKFDWXBH-UHFFFAOYSA-N -1 3 360.841 3.146 20 0 FGADHM O=C(NCc1cccc(NC(=O)c2cnn[n-]2)c1)Nc1ccccc1Cl ZINC000176278545 495575167 /nfs/dbraw/zinc/57/51/67/495575167.db2.gz CPMHMQJOLHARSS-UHFFFAOYSA-N -1 3 370.800 3.032 20 0 FGADHM O=C(NCc1cccc(NC(=O)c2c[n-]nn2)c1)Nc1ccccc1Cl ZINC000176278545 495575174 /nfs/dbraw/zinc/57/51/74/495575174.db2.gz CPMHMQJOLHARSS-UHFFFAOYSA-N -1 3 370.800 3.032 20 0 FGADHM O=C(NCc1cccc(NC(=O)c2cn[n-]n2)c1)Nc1ccccc1Cl ZINC000176278545 495575177 /nfs/dbraw/zinc/57/51/77/495575177.db2.gz CPMHMQJOLHARSS-UHFFFAOYSA-N -1 3 370.800 3.032 20 0 FGADHM COc1ccc(-c2nnc([N-]C(=O)c3cnc4ccccc4n3)s2)cc1 ZINC000179398808 495576049 /nfs/dbraw/zinc/57/60/49/495576049.db2.gz SZGQIPOMIGFBCF-UHFFFAOYSA-N -1 3 363.402 3.409 20 0 FGADHM Cc1c(CS(C)(=O)=O)cccc1NC(=O)c1c[n-]nc1-c1ccccc1 ZINC000173534164 495577817 /nfs/dbraw/zinc/57/78/17/495577817.db2.gz OGKVUXPLMJAYDP-UHFFFAOYSA-N -1 3 369.446 3.182 20 0 FGADHM Cc1nc(S(=O)(=O)[N-][C@@H](c2cccc(C(F)(F)F)c2)C2CC2)cn1C ZINC000179406950 495579069 /nfs/dbraw/zinc/57/90/69/495579069.db2.gz QJNXNVAFTOYTHW-OAHLLOKOSA-N -1 3 373.400 3.177 20 0 FGADHM CC(C)c1cccc(-n2cc([O-])c(C(=O)N(C)[C@H]3CCN(C)[C@H](C)C3)n2)c1 ZINC000176304635 495589636 /nfs/dbraw/zinc/58/96/36/495589636.db2.gz XRFHIPQDTMVRFK-WBVHZDCISA-N -1 3 370.497 3.256 20 0 FGADHM Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)CCc2c(C)nc(C)[n-]c2=O)o1 ZINC000173573961 495594775 /nfs/dbraw/zinc/59/47/75/495594775.db2.gz NKMFSPZONCIGSW-SJCJKPOMSA-N -1 3 357.454 3.221 20 0 FGADHM Cc1nn(-c2ccccc2C)c(C)c1CN(C)C(=O)c1ccc(O)cc1[O-] ZINC000179450633 495596555 /nfs/dbraw/zinc/59/65/55/495596555.db2.gz KVEGMFIIEIJACP-UHFFFAOYSA-N -1 3 365.433 3.481 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C(=O)OC)c1nccs1 ZINC000158853680 495601924 /nfs/dbraw/zinc/60/19/24/495601924.db2.gz FZCUAFJAPJBMKL-NSHDSACASA-N -1 3 374.871 3.013 20 0 FGADHM CSc1cnn(-c2ccccc2)c1[N-]C(=O)c1csc(NC(C)=O)n1 ZINC000150721307 495614296 /nfs/dbraw/zinc/61/42/96/495614296.db2.gz FHJAPISCZVJDEF-UHFFFAOYSA-N -1 3 373.463 3.261 20 0 FGADHM Cc1cccc([O-])c1NC(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000179554298 495639763 /nfs/dbraw/zinc/63/97/63/495639763.db2.gz HUIHOCJCHJIMQU-HNNXBMFYSA-N -1 3 356.397 3.331 20 0 FGADHM COc1cccc([C@@H](C)N2CCN(C(=O)c3cc(C)ccc3[O-])CC2)c1 ZINC000170902164 495648062 /nfs/dbraw/zinc/64/80/62/495648062.db2.gz KPYLNDVUMSGJJQ-MRXNPFEDSA-N -1 3 354.450 3.228 20 0 FGADHM O=S(=O)(C[C@@H]1CCCCO1)[N-]c1ccc(Br)cc1Cl ZINC000150838466 495650481 /nfs/dbraw/zinc/65/04/81/495650481.db2.gz XQMFCUMRJQKIGF-JTQLQIEISA-N -1 3 368.680 3.413 20 0 FGADHM CC(=O)NCc1ccc(C(=O)Nc2cc(Br)ccc2[O-])cc1 ZINC000176438158 495650423 /nfs/dbraw/zinc/65/04/23/495650423.db2.gz NONFTCSEGCMKLJ-UHFFFAOYSA-N -1 3 363.211 3.043 20 0 FGADHM O=C(c1c[n-]c2ccccc2c1=O)N1CCC(OCC2CCCC2)CC1 ZINC000176448167 495654462 /nfs/dbraw/zinc/65/44/62/495654462.db2.gz ITHHJMPYYNNBIV-UHFFFAOYSA-N -1 3 354.450 3.340 20 0 FGADHM CC[C@@H](C(=O)Nc1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1)c1ccc(F)cc1 ZINC000159098459 495657958 /nfs/dbraw/zinc/65/79/58/495657958.db2.gz NGSSGYQVBLVWAC-OXQOHEQNSA-N -1 3 369.396 3.013 20 0 FGADHM CC(C)c1ccc(CN2CCN(C(=O)c3cccc4[n-]nnc43)CC2)cc1 ZINC000182678797 495661086 /nfs/dbraw/zinc/66/10/86/495661086.db2.gz FPYPMMGWIWREJR-UHFFFAOYSA-N -1 3 363.465 3.039 20 0 FGADHM CC(C)c1ccc(CN2CCN(C(=O)c3cccc4nn[n-]c43)CC2)cc1 ZINC000182678797 495661088 /nfs/dbraw/zinc/66/10/88/495661088.db2.gz FPYPMMGWIWREJR-UHFFFAOYSA-N -1 3 363.465 3.039 20 0 FGADHM CC(C)c1ccc(CN2CCN(C(=O)c3cccc4n[n-]nc43)CC2)cc1 ZINC000182678797 495661089 /nfs/dbraw/zinc/66/10/89/495661089.db2.gz FPYPMMGWIWREJR-UHFFFAOYSA-N -1 3 363.465 3.039 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)c1c(C)nn(CC(C)C)c1C)c1nccs1 ZINC000182683383 495663356 /nfs/dbraw/zinc/66/33/56/495663356.db2.gz JQZLKKANMIBMHX-ZDUSSCGKSA-N -1 3 356.517 3.042 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N2C[C@@H](C)O[C@@H](c3ccsc3)C2)c1 ZINC000150873207 495664128 /nfs/dbraw/zinc/66/41/28/495664128.db2.gz DLBJHLOYZMBZQM-PIGZYNQJSA-N -1 3 360.435 3.014 20 0 FGADHM Cc1cccc2c(=O)c(C(=O)N3CC[C@@H](C(=O)OC(C)(C)C)C3)c[n-]c12 ZINC000185697465 495685424 /nfs/dbraw/zinc/68/54/24/495685424.db2.gz FAKLSPAQPIQJAL-CYBMUJFWSA-N -1 3 356.422 3.053 20 0 FGADHM Cc1cc(=O)n(C)cc1NC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000179694296 495692894 /nfs/dbraw/zinc/69/28/94/495692894.db2.gz ONDYLDMHLOYSKX-UHFFFAOYSA-N -1 3 350.374 3.444 20 0 FGADHM NC(=O)c1csc(C(=O)[N-]c2nnc(-c3cccc(Cl)c3)s2)c1 ZINC000171040558 495698928 /nfs/dbraw/zinc/69/89/28/495698928.db2.gz JVBKJTGTOZKXBW-UHFFFAOYSA-N -1 3 364.839 3.271 20 0 FGADHM CC[C@@H](C)Oc1cc(C)ccc1CNC(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000150977351 495699982 /nfs/dbraw/zinc/69/99/82/495699982.db2.gz HSHBPSOCJHRNSR-CQSZACIVSA-N -1 3 371.481 3.121 20 0 FGADHM COC(=O)C(C)(C)CS(=O)(=O)[N-]c1cc(Cl)c(C)cc1Cl ZINC000580619492 505798775 /nfs/dbraw/zinc/79/87/75/505798775.db2.gz IXMFLGAVLHIXAH-UHFFFAOYSA-N -1 3 354.255 3.243 20 0 FGADHM C[C@@H](NC(=O)c1cccc([O-])c1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000182857705 495730380 /nfs/dbraw/zinc/73/03/80/495730380.db2.gz DNWPUYNZBHYMCQ-QRWLVFNGSA-N -1 3 355.434 3.447 20 0 FGADHM CCN(CC)c1ccc(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)cc1 ZINC000179782424 495732594 /nfs/dbraw/zinc/73/25/94/495732594.db2.gz LOZHEGZIIXDUGK-UHFFFAOYSA-N -1 3 361.467 3.157 20 0 FGADHM CC[C@H](C)C[C@H](C)NC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000182876040 495737665 /nfs/dbraw/zinc/73/76/65/495737665.db2.gz JKRBGNQMVMMGHZ-RYUDHWBXSA-N -1 3 359.426 3.495 20 0 FGADHM COc1ccc(OC)c([C@@H](C)NCc2cc(=O)oc3cc([O-])ccc23)c1 ZINC000171139813 495740000 /nfs/dbraw/zinc/74/00/00/495740000.db2.gz XKJWPZFDVZJMCG-GFCCVEGCSA-N -1 3 355.390 3.367 20 0 FGADHM Cc1ccc2[nH]c([C@H]3CCCN(C(=O)c4ccc(O)cc4[O-])C3)nc2c1 ZINC000182886789 495742637 /nfs/dbraw/zinc/74/26/37/495742637.db2.gz PEPLCJCHKJXTCF-ZDUSSCGKSA-N -1 3 351.406 3.302 20 0 FGADHM Cc1ccc2nc([C@H]3CCCN(C(=O)c4ccc(O)cc4[O-])C3)[nH]c2c1 ZINC000182886789 495742642 /nfs/dbraw/zinc/74/26/42/495742642.db2.gz PEPLCJCHKJXTCF-ZDUSSCGKSA-N -1 3 351.406 3.302 20 0 FGADHM CC[C@@](C)([N-]S(=O)(=O)Cc1noc2ccccc21)c1nccs1 ZINC000185834637 495742920 /nfs/dbraw/zinc/74/29/20/495742920.db2.gz SEMIZXHSZISTEL-OAHLLOKOSA-N -1 3 351.453 3.029 20 0 FGADHM C[C@@H](Cc1ccccc1Br)NC(=O)c1ccc2n[n-]nc2c1 ZINC000154848700 495748267 /nfs/dbraw/zinc/74/82/67/495748267.db2.gz CGWQJJXLERKGDR-JTQLQIEISA-N -1 3 359.227 3.081 20 0 FGADHM C[C@H](NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C1CC1 ZINC000182906983 495751800 /nfs/dbraw/zinc/75/18/00/495751800.db2.gz JGZYIUSOANQRBZ-IFXJQAMLSA-N -1 3 352.434 3.168 20 0 FGADHM CCC[C@@H]1C[C@@H](C(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)CCO1 ZINC000182916233 495756292 /nfs/dbraw/zinc/75/62/92/495756292.db2.gz HGFQJCXNOHTIJV-DLBZAZTESA-N -1 3 374.481 3.165 20 0 FGADHM Cc1nc(C)c(CCC(=O)N2c3ccccc3S[C@H](C)[C@H]2C)c(=O)[n-]1 ZINC000176709346 495757687 /nfs/dbraw/zinc/75/76/87/495757687.db2.gz RJRMZWYUVSDRAK-CHWSQXEVSA-N -1 3 357.479 3.235 20 0 FGADHM Cc1nc(C)c(CCC(=O)N2c3ccccc3S[C@@H](C)[C@@H]2C)c(=O)[n-]1 ZINC000176709329 495757779 /nfs/dbraw/zinc/75/77/79/495757779.db2.gz RJRMZWYUVSDRAK-STQMWFEESA-N -1 3 357.479 3.235 20 0 FGADHM Cc1cc(F)ccc1-n1cc(C(=O)N2CCCc3cccc([O-])c32)nn1 ZINC000182925992 495759801 /nfs/dbraw/zinc/75/98/01/495759801.db2.gz VXMCBPUUGDEXJW-UHFFFAOYSA-N -1 3 352.369 3.013 20 0 FGADHM COC(=O)c1ccccc1S(=O)(=O)[N-]c1cc(F)c(F)cc1Cl ZINC000176727278 495764972 /nfs/dbraw/zinc/76/49/72/495764972.db2.gz VAJNDBJLWOPQOL-UHFFFAOYSA-N -1 3 361.753 3.206 20 0 FGADHM Cc1ccsc1CN1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000179872672 495766778 /nfs/dbraw/zinc/76/67/78/495766778.db2.gz AYZCPESLSSPTLE-UHFFFAOYSA-N -1 3 356.538 3.061 20 0 FGADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N(CCO)Cc1cccnc1 ZINC000179883241 495769978 /nfs/dbraw/zinc/76/99/78/495769978.db2.gz RQSMNZCFIXWXKC-UHFFFAOYSA-N -1 3 364.401 3.214 20 0 FGADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)CCCC(=O)N3)cc1C ZINC000171267616 495797211 /nfs/dbraw/zinc/79/72/11/495797211.db2.gz IJHXSIWBCNYACX-UHFFFAOYSA-N -1 3 374.462 3.388 20 0 FGADHM COc1nn(C)c2nc(C)c(CCC(=O)Nc3c(C)cccc3[O-])c(C)c12 ZINC000183024229 495803432 /nfs/dbraw/zinc/80/34/32/495803432.db2.gz ZEZKPYDRLRBXAH-UHFFFAOYSA-N -1 3 368.437 3.179 20 0 FGADHM Cc1c(C(=O)Nc2c(C)cccc2[O-])nnn1-c1ccc2ncccc2c1 ZINC000183034793 495807471 /nfs/dbraw/zinc/80/74/71/495807471.db2.gz WNBWHYFSKOWFQN-UHFFFAOYSA-N -1 3 359.389 3.390 20 0 FGADHM Cc1cccc([O-])c1NC(=O)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000183078204 495825711 /nfs/dbraw/zinc/82/57/11/495825711.db2.gz YASWSGZJYJBPDG-QGZVFWFLSA-N -1 3 352.434 3.120 20 0 FGADHM CC(C)(C)O[C@@H](C(=O)Nc1nnc(-c2ccccn2)[n-]1)c1ccccc1 ZINC000151437069 495839582 /nfs/dbraw/zinc/83/95/82/495839582.db2.gz ROKRCSJRLGQGGG-OAHLLOKOSA-N -1 3 351.410 3.362 20 0 FGADHM CC(C)(C)O[C@@H](C(=O)Nc1nc(-c2ccccn2)n[n-]1)c1ccccc1 ZINC000151437069 495839584 /nfs/dbraw/zinc/83/95/84/495839584.db2.gz ROKRCSJRLGQGGG-OAHLLOKOSA-N -1 3 351.410 3.362 20 0 FGADHM CC(C)(C)O[C@@H](C(=O)Nc1n[n-]c(-c2ccccn2)n1)c1ccccc1 ZINC000151437069 495839586 /nfs/dbraw/zinc/83/95/86/495839586.db2.gz ROKRCSJRLGQGGG-OAHLLOKOSA-N -1 3 351.410 3.362 20 0 FGADHM O=C(NCc1ccc([O-])c(Br)c1)c1cc(-c2ccncc2)on1 ZINC000151514742 495862657 /nfs/dbraw/zinc/86/26/57/495862657.db2.gz PDVKVIMYELYDEN-UHFFFAOYSA-N -1 3 374.194 3.135 20 0 FGADHM CCn1nc(C(C)C)cc1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000151554994 495877818 /nfs/dbraw/zinc/87/78/18/495877818.db2.gz DAZRMQLEQBVNGW-UHFFFAOYSA-N -1 3 366.259 3.425 20 0 FGADHM CCN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2F)c1 ZINC000580672311 505810830 /nfs/dbraw/zinc/81/08/30/505810830.db2.gz MUPWNULAWLONDI-UHFFFAOYSA-N -1 3 350.415 3.027 20 0 FGADHM O=C(CCc1ccccc1O)NCc1ccc([O-])c(Br)c1 ZINC000151636169 495901835 /nfs/dbraw/zinc/90/18/35/495901835.db2.gz JFQRQBLFQMHWFH-UHFFFAOYSA-N -1 3 350.212 3.109 20 0 FGADHM C[C@@H]1CCCC[C@@H]1OCC(=O)NCc1ccc([O-])c(Br)c1 ZINC000151647467 495905133 /nfs/dbraw/zinc/90/51/33/495905133.db2.gz FBBWMXWBQOEYGL-ABAIWWIYSA-N -1 3 356.260 3.366 20 0 FGADHM CCc1ccccc1-n1cnnc1SCC(=O)Nc1ccc([O-])cc1F ZINC000183271938 495910247 /nfs/dbraw/zinc/91/02/47/495910247.db2.gz HHHMWOWPIAVVOF-UHFFFAOYSA-N -1 3 372.425 3.405 20 0 FGADHM CC(C)n1cnc(S(=O)(=O)[N-]Cc2csc(-c3ccccc3)n2)c1 ZINC000151661194 495910918 /nfs/dbraw/zinc/91/09/18/495910918.db2.gz IJKYUFZVZSOHGN-UHFFFAOYSA-N -1 3 362.480 3.066 20 0 FGADHM O=c1cc(C(F)(F)F)nc(C[S@@](=O)CCc2ccccc2Cl)[n-]1 ZINC000155309430 495913808 /nfs/dbraw/zinc/91/38/08/495913808.db2.gz ZSPACJAKHDVVHW-HSZRJFAPSA-N -1 3 364.776 3.346 20 0 FGADHM O=c1cc(C(F)(F)F)nc(C[S@](=O)CCc2ccccc2Cl)[n-]1 ZINC000155309332 495913916 /nfs/dbraw/zinc/91/39/16/495913916.db2.gz ZSPACJAKHDVVHW-QHCPKHFHSA-N -1 3 364.776 3.346 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCCCO1)C1CC1 ZINC000186257200 495917254 /nfs/dbraw/zinc/91/72/54/495917254.db2.gz BYZJGJMNDULYFM-IUODEOHRSA-N -1 3 373.902 3.365 20 0 FGADHM CCOC(=O)c1cc(NC(=O)c2csc(-c3ccccc3C)n2)n[n-]1 ZINC000183289100 495917624 /nfs/dbraw/zinc/91/76/24/495917624.db2.gz MCDMNPOAIZSDOB-UHFFFAOYSA-N -1 3 356.407 3.271 20 0 FGADHM CCOC(=O)c1cc(NC(=O)c2csc(-c3ccccc3C)n2)[n-]n1 ZINC000183289100 495917628 /nfs/dbraw/zinc/91/76/28/495917628.db2.gz MCDMNPOAIZSDOB-UHFFFAOYSA-N -1 3 356.407 3.271 20 0 FGADHM COc1ccccc1SC[C@H](C)CNC(=O)c1ccc2n[n-]nc2c1 ZINC000171590889 495939547 /nfs/dbraw/zinc/93/95/47/495939547.db2.gz XGOKOFCFNVHOBH-GFCCVEGCSA-N -1 3 356.451 3.125 20 0 FGADHM COC(=O)[C@@H]1CN(C(=O)c2ccc3c(c2[O-])CCCC3)c2ccccc21 ZINC000186322309 495946693 /nfs/dbraw/zinc/94/66/93/495946693.db2.gz ZWORVJJSKUEKRC-QGZVFWFLSA-N -1 3 351.402 3.188 20 0 FGADHM O=S(=O)([N-][C@@H]1CCCOCC1)c1cc(C(F)(F)F)ccc1Cl ZINC000183391306 495961016 /nfs/dbraw/zinc/96/10/16/495961016.db2.gz OWZAXDRGHCZGNJ-SNVBAGLBSA-N -1 3 357.781 3.206 20 0 FGADHM Cc1c([O-])ccc2c(CN3CCC[C@H]3C[C@H](O)c3ccco3)cc(=O)oc12 ZINC000151861260 495972772 /nfs/dbraw/zinc/97/27/72/495972772.db2.gz YVHCOHIDUDQAGO-YJBOKZPZSA-N -1 3 369.417 3.488 20 0 FGADHM COc1ncnc(OC)c1C(=O)[N-]c1nc(-c2cccc(F)c2)cs1 ZINC000171657801 495976811 /nfs/dbraw/zinc/97/68/11/495976811.db2.gz DDFMBRBYINRXES-UHFFFAOYSA-N -1 3 360.370 3.009 20 0 FGADHM C[C@H]1C[C@H]1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2F)cc1 ZINC000155531293 495986120 /nfs/dbraw/zinc/98/61/20/495986120.db2.gz BBJSVYSOMXUCBK-IINYFYTJSA-N -1 3 366.389 3.360 20 0 FGADHM O=C(NCC(F)F)c1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000174572448 496016770 /nfs/dbraw/zinc/01/67/70/496016770.db2.gz PSNVMWMFLTVNLE-UHFFFAOYSA-N -1 3 374.796 3.136 20 0 FGADHM CC(=O)[C@@H](C)CCCCC(=O)Nc1cc(C)ccc1[N-]S(C)(=O)=O ZINC000152002127 496017920 /nfs/dbraw/zinc/01/79/20/496017920.db2.gz NJBDGFZJGDQVLL-ZDUSSCGKSA-N -1 3 354.472 3.091 20 0 FGADHM O=C(Nc1cc(C(F)(F)F)ccc1[O-])c1ccnc(O[C@H]2CCOC2)c1 ZINC000183520887 496019699 /nfs/dbraw/zinc/01/96/99/496019699.db2.gz JPLLGTPRJHQANS-LBPRGKRZSA-N -1 3 368.311 3.226 20 0 FGADHM Cc1cc(Br)c2c(c1)CN(C(=O)c1ccc(O)cc1[O-])CC2 ZINC000186510296 496025352 /nfs/dbraw/zinc/02/53/52/496025352.db2.gz RDAUJYDTCWMBPI-UHFFFAOYSA-N -1 3 362.223 3.367 20 0 FGADHM O=C(c1cccc(OCC(F)(F)F)n1)N1CCCc2cccc([O-])c21 ZINC000155672921 496032097 /nfs/dbraw/zinc/03/20/97/496032097.db2.gz NVQLVCRPXRKKEU-UHFFFAOYSA-N -1 3 352.312 3.321 20 0 FGADHM CC[C@@H]1CCCN(C(=O)Cc2csc(NC(=O)c3cccc([O-])c3)n2)C1 ZINC000177396768 496046866 /nfs/dbraw/zinc/04/68/66/496046866.db2.gz HLGSWEWMIWTGCB-CYBMUJFWSA-N -1 3 373.478 3.292 20 0 FGADHM CC(C)c1nc2c([nH]1)C[C@H](C(=O)N=c1cc(-c3cccs3)[n-][nH]1)CC2 ZINC000577927720 505819999 /nfs/dbraw/zinc/81/99/99/505819999.db2.gz KCQLOHHTLAMFGJ-LLVKDONJSA-N -1 3 355.467 3.150 20 0 FGADHM CC(C)c1nc2c([nH]1)CC[C@@H](C(=O)N=c1cc(-c3cccs3)[n-][nH]1)C2 ZINC000577927720 505820003 /nfs/dbraw/zinc/82/00/03/505820003.db2.gz KCQLOHHTLAMFGJ-LLVKDONJSA-N -1 3 355.467 3.150 20 0 FGADHM C[C@@H]1CC[C@@H](C)N(C(=O)Cc2csc(NC(=O)c3cccc([O-])c3)n2)C1 ZINC000177420895 496056716 /nfs/dbraw/zinc/05/67/16/496056716.db2.gz FPRJHBJNFKOSSZ-CHWSQXEVSA-N -1 3 373.478 3.291 20 0 FGADHM COc1ccc([O-])c(C(=O)N[C@@H](c2noc(C)n2)c2ccc(Cl)cc2)c1 ZINC000180600967 496063850 /nfs/dbraw/zinc/06/38/50/496063850.db2.gz BXIMRRKDJVJYBV-MRXNPFEDSA-N -1 3 373.796 3.265 20 0 FGADHM CCOC(=O)c1ccsc1[N-]C(=O)C(=O)N1CCC[C@@H]1c1ccccc1 ZINC000174711583 496072022 /nfs/dbraw/zinc/07/20/22/496072022.db2.gz ILFYHLSEPLFGBE-OAHLLOKOSA-N -1 3 372.446 3.227 20 0 FGADHM Cc1cccc2c(=O)c(C(=O)NC3CCN(C(=O)CC(C)C)CC3)c[n-]c12 ZINC000155858055 496089637 /nfs/dbraw/zinc/08/96/37/496089637.db2.gz PRHVERIKAVWAEC-UHFFFAOYSA-N -1 3 369.465 3.016 20 0 FGADHM Cc1cccc(C(=O)N[C@@H](C)C(=O)Nc2cccc(N3CCCC3)c2)c1[O-] ZINC000155894987 496100448 /nfs/dbraw/zinc/10/04/48/496100448.db2.gz MKUAQRJAUDOHIQ-HNNXBMFYSA-N -1 3 367.449 3.058 20 0 FGADHM CN(C(=O)c1ccccc1[O-])[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000186678598 496103494 /nfs/dbraw/zinc/10/34/94/496103494.db2.gz YOODTBKNOYPTAV-CVEARBPZSA-N -1 3 352.217 3.429 20 0 FGADHM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-]Cc1ccc(Cl)c(C)c1 ZINC000186717172 496120915 /nfs/dbraw/zinc/12/09/15/496120915.db2.gz LKTBGZVYKMLXME-UHFFFAOYSA-N -1 3 371.817 3.053 20 0 FGADHM CCOc1cccnc1C(=O)[N-]c1nc(-c2cccc(OC)c2)ns1 ZINC000177596517 496126036 /nfs/dbraw/zinc/12/60/36/496126036.db2.gz ZJQHWHMHDVUPQK-UHFFFAOYSA-N -1 3 356.407 3.260 20 0 FGADHM Cc1ccc(F)c(S(=O)(=O)[N-][C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)c1 ZINC000180745579 496127606 /nfs/dbraw/zinc/12/76/06/496127606.db2.gz JITADGFNWSCHSH-WBVHZDCISA-N -1 3 371.380 3.221 20 0 FGADHM CCOC(=O)c1ccsc1[N-]C(=O)C(=O)N1CCc2ccccc2[C@H]1C ZINC000174846314 496130835 /nfs/dbraw/zinc/13/08/35/496130835.db2.gz HMGIHXGUEFDBAB-GFCCVEGCSA-N -1 3 372.446 3.009 20 0 FGADHM CC(=O)N[C@H](CC(=O)Nc1cc(F)ccc1[O-])c1ccc(Cl)cc1 ZINC000174879358 496145830 /nfs/dbraw/zinc/14/58/30/496145830.db2.gz SHFOWLYUCDCRJC-CQSZACIVSA-N -1 3 350.777 3.391 20 0 FGADHM CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)c1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000177649304 496146385 /nfs/dbraw/zinc/14/63/85/496146385.db2.gz BUXGHQWGPWPLEB-GCKMJXCFSA-N -1 3 371.481 3.076 20 0 FGADHM COc1cccc(C(=O)N2CCc3c(Br)cccc3C2)c1[O-] ZINC000156069145 496148615 /nfs/dbraw/zinc/14/86/15/496148615.db2.gz RUIBTVOSCJVUEK-UHFFFAOYSA-N -1 3 362.223 3.362 20 0 FGADHM O=C([N-]c1nc(Cc2ccccc2)ns1)c1cnc(C(F)(F)F)nc1 ZINC000156066888 496149250 /nfs/dbraw/zinc/14/92/50/496149250.db2.gz KHCLOFNQUJRJDR-UHFFFAOYSA-N -1 3 365.340 3.190 20 0 FGADHM CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)Nc1cc(F)ccc1[O-] ZINC000174891526 496152108 /nfs/dbraw/zinc/15/21/08/496152108.db2.gz XUOCYDZQBDOAEZ-INIZCTEOSA-N -1 3 366.339 3.203 20 0 FGADHM O=C(COc1cccc(NC(=O)c2ccco2)c1)Nc1cc(F)ccc1[O-] ZINC000174895623 496153404 /nfs/dbraw/zinc/15/34/04/496153404.db2.gz GAVOCZYHKUWHBT-UHFFFAOYSA-N -1 3 370.336 3.394 20 0 FGADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H]1CCCOc2c(Cl)cccc21 ZINC000180835991 496164907 /nfs/dbraw/zinc/16/49/07/496164907.db2.gz QHAFEHOPDGKPCM-CYBMUJFWSA-N -1 3 356.831 3.137 20 0 FGADHM CCc1ccc([O-])c(C(=O)N2CCC[C@H](CNC(=O)c3ccccc3)C2)c1 ZINC000174925937 496167403 /nfs/dbraw/zinc/16/74/03/496167403.db2.gz LADHRSNHVSSLFS-QGZVFWFLSA-N -1 3 366.461 3.237 20 0 FGADHM CN(c1ccccc1)C1CCN(CCOc2ccccc2C(=O)[O-])CC1 ZINC000183938271 496169052 /nfs/dbraw/zinc/16/90/52/496169052.db2.gz HBPRBDOKLNJBLZ-UHFFFAOYSA-N -1 3 354.450 3.364 20 0 FGADHM COc1ccc(CNC(=O)NCc2ccc([O-])c(F)c2)cc1OC(F)F ZINC000156166005 496176216 /nfs/dbraw/zinc/17/62/16/496176216.db2.gz PMKWWICLZDFEGH-UHFFFAOYSA-N -1 3 370.327 3.141 20 0 FGADHM Cc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1ccccc1C(F)(F)F)CO2 ZINC000152574460 496191823 /nfs/dbraw/zinc/19/18/23/496191823.db2.gz HDFSKVZXJYDHRL-ZDUSSCGKSA-N -1 3 357.353 3.426 20 0 FGADHM CCOC(=O)c1cc(NC(=O)c2cc(Cl)ccc2OC(C)C)n[n-]1 ZINC000180930483 496204396 /nfs/dbraw/zinc/20/43/96/496204396.db2.gz ALAFNVGNJLEGOH-UHFFFAOYSA-N -1 3 351.790 3.279 20 0 FGADHM CCOC(=O)c1cc(NC(=O)c2cc(Cl)ccc2OC(C)C)[n-]n1 ZINC000180930483 496204403 /nfs/dbraw/zinc/20/44/03/496204403.db2.gz ALAFNVGNJLEGOH-UHFFFAOYSA-N -1 3 351.790 3.279 20 0 FGADHM CC(C)c1cc(C(=O)NCC2CCS(=O)(=O)CC2)c([O-])c(C(C)C)c1 ZINC000152628949 496207788 /nfs/dbraw/zinc/20/77/88/496207788.db2.gz ZPKLEJBBFLLRGI-UHFFFAOYSA-N -1 3 367.511 3.194 20 0 FGADHM CC1(Cn2cc(C(=O)[N-]c3ccccc3SC(F)(F)F)nn2)COC1 ZINC000184040699 496214792 /nfs/dbraw/zinc/21/47/92/496214792.db2.gz HQTXZWSKISODQS-UHFFFAOYSA-N -1 3 372.372 3.179 20 0 FGADHM COC(=O)[C@H](C)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)cc1 ZINC000184039977 496214815 /nfs/dbraw/zinc/21/48/15/496214815.db2.gz QAELWSKRAQLLHY-CYBMUJFWSA-N -1 3 365.426 3.287 20 0 FGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)CCOc1ccc(Cl)cc1 ZINC000181005833 496237486 /nfs/dbraw/zinc/23/74/86/496237486.db2.gz ZASVZZWZKWGMSD-UHFFFAOYSA-N -1 3 366.801 3.475 20 0 FGADHM Fc1ccc(-n2cc(C[N-]c3nnc(-c4ccco4)o3)nn2)cc1Cl ZINC000181005840 496237916 /nfs/dbraw/zinc/23/79/16/496237916.db2.gz KUDJTRIZUBTRSD-UHFFFAOYSA-N -1 3 360.736 3.315 20 0 FGADHM O=C(NCCc1ccc(OC(F)(F)F)cc1)NCc1ccc([O-])c(F)c1 ZINC000156448830 496247908 /nfs/dbraw/zinc/24/79/08/496247908.db2.gz AFAXUJWUGMJASH-UHFFFAOYSA-N -1 3 372.318 3.472 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-][C@@H](C)CCc1ccc(OC)cc1 ZINC000156466428 496252711 /nfs/dbraw/zinc/25/27/11/496252711.db2.gz ZMUSBNJXYGUJNV-LBPRGKRZSA-N -1 3 355.481 3.065 20 0 FGADHM CCN1CCN(c2ccc(NC(=O)c3ccc([O-])cc3F)c(C)c2)CC1 ZINC000181078882 496262045 /nfs/dbraw/zinc/26/20/45/496262045.db2.gz FCJUDVVHLCRZIR-UHFFFAOYSA-N -1 3 357.429 3.234 20 0 FGADHM Cc1ccc(NC(=O)c2ccccc2)cc1[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC000172365996 496269997 /nfs/dbraw/zinc/26/99/97/496269997.db2.gz CMJIITIIDLZSPG-KRWDZBQOSA-N -1 3 374.462 3.168 20 0 FGADHM Cc1cc(C[C@H](C)NC(=O)c2cc(OCc3ccccc3)ccc2[O-])[nH]n1 ZINC000161963846 496271703 /nfs/dbraw/zinc/27/17/03/496271703.db2.gz KSXKQHDIJAYNJE-AWEZNQCLSA-N -1 3 365.433 3.364 20 0 FGADHM Cc1cccc(Oc2ccc([N-]S(=O)(=O)C[C@H]3CCCO3)cn2)c1C ZINC000172369886 496272360 /nfs/dbraw/zinc/27/23/60/496272360.db2.gz WYRFMJODJQOVPV-MRXNPFEDSA-N -1 3 362.451 3.411 20 0 FGADHM Cc1ccc([N-]S(=O)(=O)c2cccc3cccnc32)c(CN(C)C)c1 ZINC000172379809 496275383 /nfs/dbraw/zinc/27/53/83/496275383.db2.gz JFLGOMQOXNBMMF-UHFFFAOYSA-N -1 3 355.463 3.406 20 0 FGADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N[C@@H]1C=CCCC1 ZINC000184182726 496275688 /nfs/dbraw/zinc/27/56/88/496275688.db2.gz LPFQYJIYTMOQDV-QUCCMNQESA-N -1 3 364.445 3.478 20 0 FGADHM O=S(=O)([N-]CCc1ccsc1)c1ccc(Br)cc1F ZINC000162016268 496280968 /nfs/dbraw/zinc/28/09/68/496280968.db2.gz XFDZXOMENMCUIU-UHFFFAOYSA-N -1 3 364.261 3.171 20 0 FGADHM CNC(=O)c1ccc([N-]S(=O)(=O)c2cccc(C)c2Cl)c(Cl)c1 ZINC000181142506 496286235 /nfs/dbraw/zinc/28/62/35/496286235.db2.gz QNVUFTNVGHRLHB-UHFFFAOYSA-N -1 3 373.261 3.462 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCO3)c(C)c1F ZINC000181144907 496286471 /nfs/dbraw/zinc/28/64/71/496286471.db2.gz VRWYSALLVKKYTN-UHFFFAOYSA-N -1 3 351.399 3.269 20 0 FGADHM CC(C)(C)C[C@@H](O)CNC(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000187092083 496288965 /nfs/dbraw/zinc/28/89/65/496288965.db2.gz LAWZHUWIQOIILB-GOSISDBHSA-N -1 3 355.434 3.150 20 0 FGADHM O=c1nc(-c2cccc(OCCO)n2)[n-]c2sc(-c3ccccc3)cc21 ZINC000181153067 496290123 /nfs/dbraw/zinc/29/01/23/496290123.db2.gz UDYLPIIHRQWULA-UHFFFAOYSA-N -1 3 365.414 3.085 20 0 FGADHM Cc1cc(C)c2ncc(C(=O)[O-])c(N(C)CCN3CCOC(C)(C)C3)c2c1 ZINC000580776466 505835895 /nfs/dbraw/zinc/83/58/95/505835895.db2.gz UNIGLELJXXYKTB-UHFFFAOYSA-N -1 3 371.481 3.097 20 0 FGADHM O=C(Cc1cc(Br)ccc1F)NCc1ccc([O-])c(F)c1 ZINC000156667832 496306229 /nfs/dbraw/zinc/30/62/29/496306229.db2.gz ZBVDHAJEDQIZAY-UHFFFAOYSA-N -1 3 356.166 3.292 20 0 FGADHM CC(C)[C@@H]([N-]S(=O)(=O)/C=C/c1ccc(F)cc1)c1nc(C2CC2)no1 ZINC000175265438 496314237 /nfs/dbraw/zinc/31/42/37/496314237.db2.gz SUFXTADHUBURRK-BOLDSZDNSA-N -1 3 365.430 3.374 20 0 FGADHM Cn1cc(CCNC(=O)c2ccc3n[n-]nc3c2)c2ccc(Cl)cc21 ZINC000187184344 496328463 /nfs/dbraw/zinc/32/84/63/496328463.db2.gz XBNZGVLWSSVJCQ-UHFFFAOYSA-N -1 3 353.813 3.076 20 0 FGADHM CCOC(=O)c1cc(NC(=O)[C@@H](C)CC(=O)c2ccc(Cl)cc2)n[n-]1 ZINC000184313101 496331442 /nfs/dbraw/zinc/33/14/42/496331442.db2.gz XRMDHMXTNLRGDN-JTQLQIEISA-N -1 3 363.801 3.087 20 0 FGADHM CCOC(=O)c1cc(NC(=O)[C@@H](C)CC(=O)c2ccc(Cl)cc2)[n-]n1 ZINC000184313101 496331444 /nfs/dbraw/zinc/33/14/44/496331444.db2.gz XRMDHMXTNLRGDN-JTQLQIEISA-N -1 3 363.801 3.087 20 0 FGADHM C[C@H](C(=O)[O-])N(Cc1nc2cc(Br)ccc2[nH]1)C1CCC1 ZINC000580785976 505838130 /nfs/dbraw/zinc/83/81/30/505838130.db2.gz UUVMRCIQRQHXCV-SECBINFHSA-N -1 3 352.232 3.153 20 0 FGADHM C[C@H](C(=O)[O-])N(Cc1nc2ccc(Br)cc2[nH]1)C1CCC1 ZINC000580785976 505838133 /nfs/dbraw/zinc/83/81/33/505838133.db2.gz UUVMRCIQRQHXCV-SECBINFHSA-N -1 3 352.232 3.153 20 0 FGADHM COC(=O)c1c(CC(C)C)csc1[N-]C(=O)C(=O)N(C)C1CCCC1 ZINC000187240827 496356637 /nfs/dbraw/zinc/35/66/37/496356637.db2.gz JLCXTSRCLCTOCR-UHFFFAOYSA-N -1 3 366.483 3.073 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)c3ccc(Cl)c(OC)c3)[n-]c21 ZINC000162463748 496357462 /nfs/dbraw/zinc/35/74/62/496357462.db2.gz PEVMXEHVMLPELJ-UHFFFAOYSA-N -1 3 359.769 3.264 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccc(Cl)c(OC)c3)nc21 ZINC000162463748 496357466 /nfs/dbraw/zinc/35/74/66/496357466.db2.gz PEVMXEHVMLPELJ-UHFFFAOYSA-N -1 3 359.769 3.264 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)NCc3cccc4cccnc43)c[n-]c12 ZINC000178194275 496365128 /nfs/dbraw/zinc/36/51/28/496365128.db2.gz AFJHOOYVCRIVQM-UHFFFAOYSA-N -1 3 361.376 3.454 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)Cc3ccc(F)cc3Cl)[n-]c21 ZINC000162525268 496366826 /nfs/dbraw/zinc/36/68/26/496366826.db2.gz SMBDPSRBUBZIJH-UHFFFAOYSA-N -1 3 361.760 3.323 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)Cc3ccc(F)cc3Cl)nc21 ZINC000162525268 496366830 /nfs/dbraw/zinc/36/68/30/496366830.db2.gz SMBDPSRBUBZIJH-UHFFFAOYSA-N -1 3 361.760 3.323 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)Cc3c[nH]c4c3cccc4C)[n-]c21 ZINC000162543067 496370846 /nfs/dbraw/zinc/37/08/46/496370846.db2.gz HLOZBCOHIDHOCD-UHFFFAOYSA-N -1 3 362.389 3.320 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)Cc3c[nH]c4c3cccc4C)nc21 ZINC000162543067 496370850 /nfs/dbraw/zinc/37/08/50/496370850.db2.gz HLOZBCOHIDHOCD-UHFFFAOYSA-N -1 3 362.389 3.320 20 0 FGADHM CC(C)CN1CCN(C(=O)c2ccc(C(=O)c3cccc([O-])c3)cc2)CC1 ZINC000187296792 496382046 /nfs/dbraw/zinc/38/20/46/496382046.db2.gz KABFGEDRXUQIQA-UHFFFAOYSA-N -1 3 366.461 3.037 20 0 FGADHM Cc1cccc(S(=O)(=O)[N-]Cc2nccn2CCc2ccccc2)c1F ZINC000181429212 496392521 /nfs/dbraw/zinc/39/25/21/496392521.db2.gz JGJCRBNQCPXQKI-UHFFFAOYSA-N -1 3 373.453 3.052 20 0 FGADHM C[C@H]([N-]S(=O)(=O)Cc1cc(Cl)cc(Cl)c1)C(=O)OC(C)(C)C ZINC000157049357 496393405 /nfs/dbraw/zinc/39/34/05/496393405.db2.gz YTGVVNXDWDLZMD-VIFPVBQESA-N -1 3 368.282 3.143 20 0 FGADHM Cc1cc(NC(=O)c2cccc(C(=O)[O-])c2)ccc1OCCN1CCCC1 ZINC000578012628 505841282 /nfs/dbraw/zinc/84/12/82/505841282.db2.gz RGECOQIUSBLRDY-UHFFFAOYSA-N -1 3 368.433 3.420 20 0 FGADHM CC[C@@H](C(=O)Nc1nc2cccc(C(=O)OC)c2[n-]1)c1ccc(OC)cc1 ZINC000181468693 496408907 /nfs/dbraw/zinc/40/89/07/496408907.db2.gz SLPGZRSUQLOZAB-CQSZACIVSA-N -1 3 367.405 3.490 20 0 FGADHM CC[C@@H](C(=O)Nc1nc2c(cccc2C(=O)OC)[n-]1)c1ccc(OC)cc1 ZINC000181468693 496408910 /nfs/dbraw/zinc/40/89/10/496408910.db2.gz SLPGZRSUQLOZAB-CQSZACIVSA-N -1 3 367.405 3.490 20 0 FGADHM Cc1cc(F)c2[nH]c(=O)cc(C(=O)Nc3nnc(-c4ccco4)[n-]3)c2c1 ZINC000181480457 496413564 /nfs/dbraw/zinc/41/35/64/496413564.db2.gz FANAKHAEFUCVPL-UHFFFAOYSA-N -1 3 353.313 3.018 20 0 FGADHM Cc1cc(F)c2[nH]c(=O)cc(C(=O)Nc3nc(-c4ccco4)n[n-]3)c2c1 ZINC000181480457 496413567 /nfs/dbraw/zinc/41/35/67/496413567.db2.gz FANAKHAEFUCVPL-UHFFFAOYSA-N -1 3 353.313 3.018 20 0 FGADHM Cc1cc(F)c2[nH]c(=O)cc(C(=O)Nc3n[n-]c(-c4ccco4)n3)c2c1 ZINC000181480457 496413569 /nfs/dbraw/zinc/41/35/69/496413569.db2.gz FANAKHAEFUCVPL-UHFFFAOYSA-N -1 3 353.313 3.018 20 0 FGADHM CCN(CC)C(=O)CN(C)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000157141093 496414482 /nfs/dbraw/zinc/41/44/82/496414482.db2.gz YXDYSIONZYLYBK-UHFFFAOYSA-N -1 3 356.422 3.125 20 0 FGADHM CC[C@@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)c1ccccc1[O-] ZINC000157145257 496415689 /nfs/dbraw/zinc/41/56/89/496415689.db2.gz AHBWUHOJINWKNV-OXQOHEQNSA-N -1 3 367.493 3.468 20 0 FGADHM CCc1cc(C)c(C(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)o1 ZINC000178344384 496420123 /nfs/dbraw/zinc/42/01/23/496420123.db2.gz CPCBREXGDPODQN-UHFFFAOYSA-N -1 3 356.422 3.347 20 0 FGADHM O=C(Nc1nnc(-c2ccccn2)[n-]1)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000184533967 496428326 /nfs/dbraw/zinc/42/83/26/496428326.db2.gz RFYROUHTTLAQAJ-VHSXEESVSA-N -1 3 359.311 3.026 20 0 FGADHM O=C(Nc1nc(-c2ccccn2)n[n-]1)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000184533967 496428335 /nfs/dbraw/zinc/42/83/35/496428335.db2.gz RFYROUHTTLAQAJ-VHSXEESVSA-N -1 3 359.311 3.026 20 0 FGADHM O=C(Nc1n[n-]c(-c2ccccn2)n1)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000184533967 496428338 /nfs/dbraw/zinc/42/83/38/496428338.db2.gz RFYROUHTTLAQAJ-VHSXEESVSA-N -1 3 359.311 3.026 20 0 FGADHM C[C@@H](Oc1ccc(C(F)(F)F)cc1)C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000187420841 496434120 /nfs/dbraw/zinc/43/41/20/496434120.db2.gz IBTRXWRNECAKQF-ZCFIWIBFSA-N -1 3 368.237 3.248 20 0 FGADHM C[C@@H](Oc1ccc(C(F)(F)F)cc1)C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000187420841 496434126 /nfs/dbraw/zinc/43/41/26/496434126.db2.gz IBTRXWRNECAKQF-ZCFIWIBFSA-N -1 3 368.237 3.248 20 0 FGADHM CC[C@]([N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1)(C(N)=O)C(C)C ZINC000181530700 496435152 /nfs/dbraw/zinc/43/51/52/496435152.db2.gz FIFALSSMZJCRLJ-OAHLLOKOSA-N -1 3 374.915 3.123 20 0 FGADHM O=C(NCCCNC(=O)c1cccc([O-])c1)Nc1ccc(F)cc1Cl ZINC000153384192 496437662 /nfs/dbraw/zinc/43/76/62/496437662.db2.gz RBNNMTJENVGXFH-UHFFFAOYSA-N -1 3 365.792 3.126 20 0 FGADHM Cc1oc2ccccc2c1C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000184564621 496442698 /nfs/dbraw/zinc/44/26/98/496442698.db2.gz PNGVVSLSWOHXMB-UHFFFAOYSA-N -1 3 364.401 3.045 20 0 FGADHM CCCc1nc(C)c(C[N-]S(=O)(=O)c2cc3cc(F)ccc3o2)o1 ZINC000569071723 505844704 /nfs/dbraw/zinc/84/47/04/505844704.db2.gz RBSWZOJFLLMNJI-UHFFFAOYSA-N -1 3 352.387 3.299 20 0 FGADHM CC[C@@](C)([N-]S(=O)(=O)c1cc(OC)cc(OC)c1)c1nc(C)cs1 ZINC000178420510 496449788 /nfs/dbraw/zinc/44/97/88/496449788.db2.gz VZNCMGXKZUBJKL-MRXNPFEDSA-N -1 3 370.496 3.072 20 0 FGADHM C[C@@H]1Oc2ccccc2N(CCC(=O)Nc2ccc(Cl)cc2[O-])C1=O ZINC000153423324 496450625 /nfs/dbraw/zinc/45/06/25/496450625.db2.gz HIGPUPUNOWRQRC-NSHDSACASA-N -1 3 360.797 3.188 20 0 FGADHM COc1cc(C(=O)N(C)[C@H](C)c2sc(C)nc2C)cc(OC)c1[O-] ZINC000163037756 496454499 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/nfs/dbraw/zinc/53/09/24/496530924.db2.gz APWFBTDOPOZZHI-UHFFFAOYSA-N -1 3 359.716 3.094 20 0 FGADHM CCOC(=O)c1cc(NC(=O)c2cc(Cl)ccc2OC(F)F)[n-]n1 ZINC000181755094 496530929 /nfs/dbraw/zinc/53/09/29/496530929.db2.gz APWFBTDOPOZZHI-UHFFFAOYSA-N -1 3 359.716 3.094 20 0 FGADHM O=C(NC[C@@H]1CCC[C@@H](O)C1)c1cc(OCc2ccccc2)ccc1[O-] ZINC000175773296 496539290 /nfs/dbraw/zinc/53/92/90/496539290.db2.gz LNQGOPRNPGFDBO-IAGOWNOFSA-N -1 3 355.434 3.252 20 0 FGADHM C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)NCc1ccc([O-])c(F)c1 ZINC000163640499 496540876 /nfs/dbraw/zinc/54/08/76/496540876.db2.gz IUAIERSWQABOLK-ZDUSSCGKSA-N -1 3 369.400 3.015 20 0 FGADHM COc1cc2c(cc1OC)CCN([C@H](C)c1cc(C(=O)[O-])c(C)o1)CC2 ZINC000574763457 505850412 /nfs/dbraw/zinc/85/04/12/505850412.db2.gz SVATYTNCQPHBEE-GFCCVEGCSA-N -1 3 359.422 3.465 20 0 FGADHM CC[C@@](C)([N-]S(=O)(=O)Cc1c(F)cccc1F)c1nc(C)cs1 ZINC000163669385 496544749 /nfs/dbraw/zinc/54/47/49/496544749.db2.gz RTUKHPZBNJISAW-OAHLLOKOSA-N -1 3 360.451 3.475 20 0 FGADHM Cc1cccc2c(=O)c(C(=O)Nc3cccc(C[S@@](C)=O)c3)c[n-]c12 ZINC000163686279 496547123 /nfs/dbraw/zinc/54/71/23/496547123.db2.gz QDPWPOJSDHDLDH-VWLOTQADSA-N -1 3 354.431 3.380 20 0 FGADHM O=C(Cc1ccc([O-])cc1Cl)NC[C@]1(O)CCC[C@@H](C(F)(F)F)C1 ZINC000187725315 496547942 /nfs/dbraw/zinc/54/79/42/496547942.db2.gz AWWULHZYLYUDIO-ABAIWWIYSA-N -1 3 365.779 3.188 20 0 FGADHM Cc1nc(CCCC(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)cs1 ZINC000175819099 496559034 /nfs/dbraw/zinc/55/90/34/496559034.db2.gz XSNORAYPKUBPNJ-UHFFFAOYSA-N -1 3 368.462 3.472 20 0 FGADHM C[C@@H]1Oc2c(cccc2C(=O)Nc2cc(C(F)(F)F)ccc2[O-])NC1=O ZINC000175822364 496559691 /nfs/dbraw/zinc/55/96/91/496559691.db2.gz KEAWVTUYVHHFJH-QMMMGPOBSA-N -1 3 366.295 3.383 20 0 FGADHM Fc1ccccc1Cc1nnc([N-]Cc2nccn2CC(F)(F)F)o1 ZINC000181832186 496565556 /nfs/dbraw/zinc/56/55/56/496565556.db2.gz JJJOQIXGVCZSAQ-UHFFFAOYSA-N -1 3 355.295 3.170 20 0 FGADHM CCc1nc([C@@H](C)[N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)cs1 ZINC000173140043 496566359 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O=C(Nc1ccnn1Cc1ccc(Cl)c(F)c1)c1cccc2[n-]nnc21 ZINC000187835644 496588724 /nfs/dbraw/zinc/58/87/24/496588724.db2.gz NXOIIEKYCZSTNI-UHFFFAOYSA-N -1 3 370.775 3.248 20 0 FGADHM O=C(Nc1ccnn1Cc1ccc(Cl)c(F)c1)c1cccc2n[n-]nc21 ZINC000187835644 496588733 /nfs/dbraw/zinc/58/87/33/496588733.db2.gz NXOIIEKYCZSTNI-UHFFFAOYSA-N -1 3 370.775 3.248 20 0 FGADHM CCCN(CC(=O)[O-])[C@@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000184929488 496590280 /nfs/dbraw/zinc/59/02/80/496590280.db2.gz RESMIZBLYJKFRJ-VIFPVBQESA-N -1 3 366.767 3.482 20 0 FGADHM CC(C)c1cc(C(=O)N[C@H](C)CCS(C)(=O)=O)c([O-])c(C(C)C)c1 ZINC000153829432 496593689 /nfs/dbraw/zinc/59/36/89/496593689.db2.gz CMPOECCBOPAWQN-CYBMUJFWSA-N -1 3 355.500 3.192 20 0 FGADHM O=S(=O)([N-]C[C@H](CCO)c1ccccc1)c1cccc(Cl)c1Cl ZINC000178881818 496604033 /nfs/dbraw/zinc/60/40/33/496604033.db2.gz KGCHULMMVWHKBX-ZDUSSCGKSA-N -1 3 374.289 3.438 20 0 FGADHM O=C(Cc1csc(NC(=O)c2cccc([O-])c2)n1)NCCC1=CCCC1 ZINC000158171913 496642591 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COC(=O)c1cccc2[n-]c(NC(=O)c3ccccc3OC(C)C)nc21 ZINC000158422291 496699056 /nfs/dbraw/zinc/69/90/56/496699056.db2.gz JXTXTSOONNXNFL-UHFFFAOYSA-N -1 3 353.378 3.389 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)[C@H]3SCCc4ccccc43)[n-]c21 ZINC000158430351 496700722 /nfs/dbraw/zinc/70/07/22/496700722.db2.gz XJEVQPYFLJEFGW-INIZCTEOSA-N -1 3 367.430 3.319 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@H]3SCCc4ccccc43)nc21 ZINC000158430351 496700726 /nfs/dbraw/zinc/70/07/26/496700726.db2.gz XJEVQPYFLJEFGW-INIZCTEOSA-N -1 3 367.430 3.319 20 0 FGADHM O=S(=O)(Cc1c(Cl)cccc1Cl)[N-][C@@H](CO)c1ccccc1 ZINC000158439918 496701523 /nfs/dbraw/zinc/70/15/23/496701523.db2.gz LJZCWZISONSFDE-HNNXBMFYSA-N -1 3 360.262 3.146 20 0 FGADHM COc1ccc(Cl)c(S(=O)(=O)[N-][C@H](C)[C@H]2COc3ccccc32)c1 ZINC000167573259 496703039 /nfs/dbraw/zinc/70/30/39/496703039.db2.gz PCPAOLGLRLTCSB-BXUZGUMPSA-N -1 3 367.854 3.192 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)Cc3c(C)[nH]c4ccccc43)[n-]c21 ZINC000158455127 496705634 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CCc1ccc(C(=O)N2CCC(C3N=NC(=S)N3C(C)C)CC2)c([O-])c1 ZINC000191378177 496743123 /nfs/dbraw/zinc/74/31/23/496743123.db2.gz OBVYLHAIMHJCON-UHFFFAOYSA-N -1 3 374.510 3.436 20 0 FGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(OC(C)C)cc1Cl ZINC000188298104 496745273 /nfs/dbraw/zinc/74/52/73/496745273.db2.gz OGWBPKTWSOTVHG-UHFFFAOYSA-N -1 3 367.858 3.493 20 0 FGADHM CCOC1CC(CC[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000188298763 496745894 /nfs/dbraw/zinc/74/58/94/496745894.db2.gz CYYMGQFHNDLLGZ-UHFFFAOYSA-N -1 3 352.283 3.477 20 0 FGADHM CCc1ccc(C(=O)Nc2cccc(CN3CCC(CO)CC3)c2)c([O-])c1 ZINC000188301398 496746717 /nfs/dbraw/zinc/74/67/17/496746717.db2.gz LCRLFQSLAXSOCJ-UHFFFAOYSA-N -1 3 368.477 3.411 20 0 FGADHM Cc1nc2ccc(NC([O-])=NOC[C@@H](C)NC(=O)OC(C)(C)C)cc2o1 ZINC000273363839 496783882 /nfs/dbraw/zinc/78/38/82/496783882.db2.gz WMYQTBIOJASKRK-SNVBAGLBSA-N -1 3 364.402 3.103 20 0 FGADHM Cc1nc2ccc(NC(=O)[N-]OC[C@@H](C)NC(=O)OC(C)(C)C)cc2o1 ZINC000273363839 496783889 /nfs/dbraw/zinc/78/38/89/496783889.db2.gz WMYQTBIOJASKRK-SNVBAGLBSA-N -1 3 364.402 3.103 20 0 FGADHM CCOCc1cccc(NC([O-])=NOC[C@@H](C)NC(=O)OC(C)(C)C)c1 ZINC000273421962 496801861 /nfs/dbraw/zinc/80/18/61/496801861.db2.gz SHZINHYPMPPCRF-CYBMUJFWSA-N -1 3 367.446 3.189 20 0 FGADHM CCOCc1cccc(NC(=O)[N-]OC[C@@H](C)NC(=O)OC(C)(C)C)c1 ZINC000273421962 496801864 /nfs/dbraw/zinc/80/18/64/496801864.db2.gz SHZINHYPMPPCRF-CYBMUJFWSA-N -1 3 367.446 3.189 20 0 FGADHM C[C@H](CON=C([O-])Nc1cc(F)c(F)cc1F)NC(=O)OC(C)(C)C ZINC000273441591 496807019 /nfs/dbraw/zinc/80/70/19/496807019.db2.gz YPRGHTUTTFLUNF-MRVPVSSYSA-N -1 3 363.336 3.070 20 0 FGADHM C[C@H](CO[N-]C(=O)Nc1cc(F)c(F)cc1F)NC(=O)OC(C)(C)C ZINC000273441591 496807025 /nfs/dbraw/zinc/80/70/25/496807025.db2.gz YPRGHTUTTFLUNF-MRVPVSSYSA-N -1 3 363.336 3.070 20 0 FGADHM COc1ccc([O-])c(-c2nc(C[C@H](C)N(C)C(=O)OC(C)(C)C)no2)c1 ZINC000273491177 496821750 /nfs/dbraw/zinc/82/17/50/496821750.db2.gz WAHMCVYQVUJMNO-NSHDSACASA-N -1 3 363.414 3.249 20 0 FGADHM CC[C@@H](C)[C@H](C)N(C(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)C1CC1 ZINC000264184433 496829987 /nfs/dbraw/zinc/82/99/87/496829987.db2.gz NHKOUGHQWNXYLV-NEPJUHHUSA-N -1 3 356.463 3.236 20 0 FGADHM COc1ccc(CNCC2([C@H](O)C(C)C)CC2)c(Br)c1[O-] ZINC000273604348 496852235 /nfs/dbraw/zinc/85/22/35/496852235.db2.gz GTIWNUQACJDNDI-OAHLLOKOSA-N -1 3 358.276 3.050 20 0 FGADHM O=C(Nc1cc(CC2CC2)nn1-c1ccccc1)c1cccc2nn[n-]c21 ZINC000188622822 496854638 /nfs/dbraw/zinc/85/46/38/496854638.db2.gz GEXKLJDJBYMZEG-UHFFFAOYSA-N -1 3 358.405 3.348 20 0 FGADHM O=C(Nc1cc(CC2CC2)nn1-c1ccccc1)c1cccc2[n-]nnc21 ZINC000188622822 496854643 /nfs/dbraw/zinc/85/46/43/496854643.db2.gz GEXKLJDJBYMZEG-UHFFFAOYSA-N -1 3 358.405 3.348 20 0 FGADHM O=C(Nc1cc(CC2CC2)nn1-c1ccccc1)c1cccc2n[n-]nc21 ZINC000188622822 496854650 /nfs/dbraw/zinc/85/46/50/496854650.db2.gz GEXKLJDJBYMZEG-UHFFFAOYSA-N -1 3 358.405 3.348 20 0 FGADHM COC1CCC(N(C)C(=O)NCc2ccc([O-])c(Br)c2)CC1 ZINC000269043815 496856564 /nfs/dbraw/zinc/85/65/64/496856564.db2.gz RSFOEZVQVLOPSE-UHFFFAOYSA-N -1 3 371.275 3.254 20 0 FGADHM COc1ccc(CN(C[C@@H]2CCOC2)C2CC2)c(Br)c1[O-] ZINC000273736193 496889046 /nfs/dbraw/zinc/88/90/46/496889046.db2.gz LCSWZPUMOCORDW-NSHDSACASA-N -1 3 356.260 3.164 20 0 FGADHM COc1cc(OC)c(-c2noc(-c3cc(C)cc(OC)c3[O-])n2)cc1OC ZINC000273738393 496890193 /nfs/dbraw/zinc/89/01/93/496890193.db2.gz OJQZNGUNECAURZ-UHFFFAOYSA-N -1 3 372.377 3.452 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]Cc2nc3ccccc3n2C)sc1Cl ZINC000191854235 496910987 /nfs/dbraw/zinc/91/09/87/496910987.db2.gz MBAZNUKREAXULL-UHFFFAOYSA-N -1 3 355.872 3.075 20 0 FGADHM O=C(Cc1cccc(F)c1F)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000269292816 496913360 /nfs/dbraw/zinc/91/33/60/496913360.db2.gz VETMFMYNJFJUJA-UHFFFAOYSA-N -1 3 374.387 3.090 20 0 FGADHM [O-]c1ccc(Br)c(CNCc2ccnc(N3CCCC3)c2)c1 ZINC000269310581 496916719 /nfs/dbraw/zinc/91/67/19/496916719.db2.gz VNJMMTIGAUMEQT-UHFFFAOYSA-N -1 3 362.271 3.440 20 0 FGADHM O=S(=O)([N-][C@H]1COc2ccccc21)c1cc(Br)ccc1F ZINC000195418343 496918088 /nfs/dbraw/zinc/91/80/88/496918088.db2.gz ULEYJUZBFJWLIU-LBPRGKRZSA-N -1 3 372.215 3.000 20 0 FGADHM CSc1cnn(-c2ccccc2)c1[N-]C(=O)c1cn(C(C)(C)C)nn1 ZINC000191923078 496932949 /nfs/dbraw/zinc/93/29/49/496932949.db2.gz BPJOYZIDFRGKBE-UHFFFAOYSA-N -1 3 356.455 3.193 20 0 FGADHM C[C@H]1CC[C@H](NC(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)CC1 ZINC000264572561 496933130 /nfs/dbraw/zinc/93/31/30/496933130.db2.gz VRWWWMWHLMJUNK-KOMQPUFPSA-N -1 3 359.470 3.331 20 0 FGADHM COc1cccc(CN(CCN(C)C)C(=O)c2cc(Cl)ccc2[O-])c1 ZINC000191950561 496941180 /nfs/dbraw/zinc/94/11/80/496941180.db2.gz GWDSYDRELMNSQH-UHFFFAOYSA-N -1 3 362.857 3.258 20 0 FGADHM CCC(CC)n1ccc(C(=O)Nc2cc(C)ccc2[N-]S(C)(=O)=O)n1 ZINC000269540373 496967517 /nfs/dbraw/zinc/96/75/17/496967517.db2.gz PSBSVUVCQZVVCJ-UHFFFAOYSA-N -1 3 364.471 3.176 20 0 FGADHM CC(C)[C@H](NC(=O)C(=O)[N-]c1cnns1)c1ccc(C(F)(F)F)cc1 ZINC000192058039 496979619 /nfs/dbraw/zinc/97/96/19/496979619.db2.gz IMGXFOWRZDCVCF-LBPRGKRZSA-N -1 3 372.372 3.009 20 0 FGADHM CCS(=O)(=O)[N-]Cc1nc(-c2ccc(SC(C)(C)C)cc2)no1 ZINC000273983884 496982221 /nfs/dbraw/zinc/98/22/21/496982221.db2.gz MJKVSAWPDBJTBC-UHFFFAOYSA-N -1 3 355.485 3.067 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3cnn([C@@H](C)C4CC4)c3)c[n-]c12 ZINC000189036775 496986595 /nfs/dbraw/zinc/98/65/95/496986595.db2.gz IECKPROWVAPECM-NSHDSACASA-N -1 3 354.385 3.395 20 0 FGADHM CCOc1nc2cc(C(=O)N[C@@H](c3ccccc3)[C@H]3CCOC3)ccc2[n-]1 ZINC000574898002 505878056 /nfs/dbraw/zinc/87/80/56/505878056.db2.gz DWQIYYZHGWZLSG-LPHOPBHVSA-N -1 3 365.433 3.469 20 0 FGADHM CCOc1nc2ccc(C(=O)N[C@@H](c3ccccc3)[C@H]3CCOC3)cc2[n-]1 ZINC000574898002 505878059 /nfs/dbraw/zinc/87/80/59/505878059.db2.gz DWQIYYZHGWZLSG-LPHOPBHVSA-N -1 3 365.433 3.469 20 0 FGADHM CCOc1cc(-c2noc(C3CN(C(=O)OC(C)(C)C)C3)n2)ccc1[O-] ZINC000278076037 496995928 /nfs/dbraw/zinc/99/59/28/496995928.db2.gz NIBVVPDWXKCQKH-UHFFFAOYSA-N -1 3 361.398 3.175 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-][C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000189081909 497001510 /nfs/dbraw/zinc/00/15/10/497001510.db2.gz IBCTYWXYSBHRJX-HUUCEWRRSA-N -1 3 351.493 3.446 20 0 FGADHM CC(C)NC(=O)Cc1noc(-c2cc(Cc3ccccc3)ccc2[O-])n1 ZINC000278123487 497012612 /nfs/dbraw/zinc/01/26/12/497012612.db2.gz RFYKVSGAPDOEDP-UHFFFAOYSA-N -1 3 351.406 3.100 20 0 FGADHM O=C(N[C@H]1CCO[C@@H](C2CC2)C1)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000189138068 497020873 /nfs/dbraw/zinc/02/08/73/497020873.db2.gz ZRUDEMIXQPPJNG-AZUAARDMSA-N -1 3 365.429 3.311 20 0 FGADHM COc1cc(C(=O)N2C[C@@H](C)O[C@H](c3ccccc3)C2)cc(OC)c1[O-] ZINC000269928743 497025871 /nfs/dbraw/zinc/02/58/71/497025871.db2.gz KNMHDNLFIQUAAN-ACJLOTCBSA-N -1 3 357.406 3.012 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccn(C(C)C)n3)c2)n1 ZINC000264996679 497027610 /nfs/dbraw/zinc/02/76/10/497027610.db2.gz JIBWEEJRFCPASD-UHFFFAOYSA-N -1 3 351.410 3.441 20 0 FGADHM O=C(NCCc1nc2cc(F)ccc2[nH]1)c1cc([O-])ccc1C(F)(F)F ZINC000189174822 497033564 /nfs/dbraw/zinc/03/35/64/497033564.db2.gz LABAMNXVIPTCOA-UHFFFAOYSA-N -1 3 367.302 3.399 20 0 FGADHM O=C(c1c[n-]c2ccccc2c1=O)N1CCC(Oc2ncccc2F)CC1 ZINC000278238062 497046870 /nfs/dbraw/zinc/04/68/70/497046870.db2.gz GCKTYTSZPGWXQV-UHFFFAOYSA-N -1 3 367.380 3.158 20 0 FGADHM O=C(NCCOc1ccc(Cl)cn1)c1cc([O-])ccc1C(F)(F)F ZINC000189286990 497069153 /nfs/dbraw/zinc/06/91/53/497069153.db2.gz OPOXTHRAYOQEGJ-UHFFFAOYSA-N -1 3 360.719 3.268 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1cncc(Cl)c1)c1nc(C(F)(F)F)cs1 ZINC000278328697 497076713 /nfs/dbraw/zinc/07/67/13/497076713.db2.gz GDLXXAFEKPNTBB-ZCFIWIBFSA-N -1 3 371.793 3.250 20 0 FGADHM COc1cccc(C(=O)N2CCC[C@@H]2Cn2c(C)nc3ccccc32)c1[O-] ZINC000270240175 497083893 /nfs/dbraw/zinc/08/38/93/497083893.db2.gz OAOGRVRLVMEUOL-OAHLLOKOSA-N -1 3 365.433 3.364 20 0 FGADHM Cc1nc(C2([N-]C(=O)C(F)(F)c3ncccc3C)CCCCC2)no1 ZINC000278385192 497097370 /nfs/dbraw/zinc/09/73/70/497097370.db2.gz IDSAHPLPEYLOKQ-UHFFFAOYSA-N -1 3 350.369 3.149 20 0 FGADHM Cc1cc(=O)[n-]c([C@H](C)N2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)n1 ZINC000248755525 497098944 /nfs/dbraw/zinc/09/89/44/497098944.db2.gz PJKHHNLXKFDHSF-GOEBONIOSA-N -1 3 364.453 3.216 20 0 FGADHM Cc1c(-c2nc(-c3ccc([O-])cc3)no2)cnn1CCO[C@@H]1CCCCO1 ZINC000270314176 497099916 /nfs/dbraw/zinc/09/99/16/497099916.db2.gz GOSOHORDPAUUFS-QGZVFWFLSA-N -1 3 370.409 3.157 20 0 FGADHM O=C(Cc1cncc([O-])c1)N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000574926401 505884776 /nfs/dbraw/zinc/88/47/76/505884776.db2.gz BJQKBDONCRHDLY-AWEZNQCLSA-N -1 3 367.232 3.316 20 0 FGADHM C[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000231751770 497110178 /nfs/dbraw/zinc/11/01/78/497110178.db2.gz ZGRMSCQTUMRURF-ZCFIWIBFSA-N -1 3 364.158 3.207 20 0 FGADHM Cc1cc(CN(C)C)cc(NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)c1 ZINC000270379119 497114514 /nfs/dbraw/zinc/11/45/14/497114514.db2.gz MWXJYAHAQOSRGQ-UHFFFAOYSA-N -1 3 356.470 3.410 20 0 FGADHM CS(=O)(=O)C1(C(=O)Nc2cc(Cc3ccccc3)ccc2[O-])CCCC1 ZINC000270381939 497115500 /nfs/dbraw/zinc/11/55/00/497115500.db2.gz OADXQPJTVTZRHU-UHFFFAOYSA-N -1 3 373.474 3.279 20 0 FGADHM COC(=O)c1c(C)nc(=O)[n-]c1SCc1cc(-c2ccc(C)cc2)no1 ZINC000192467104 497124754 /nfs/dbraw/zinc/12/47/54/497124754.db2.gz SVSMLDPQQTXZQU-UHFFFAOYSA-N -1 3 371.418 3.121 20 0 FGADHM Cc1cc(=O)[n-]c([C@H](C)N2CCN(C(=O)CCC3CCCCC3)CC2)n1 ZINC000192549801 497147265 /nfs/dbraw/zinc/14/72/65/497147265.db2.gz ZJDFRAWNPZZCGT-INIZCTEOSA-N -1 3 360.502 3.056 20 0 FGADHM CC[S@](=O)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(C)c(Cl)s2)C1 ZINC000249146900 497175585 /nfs/dbraw/zinc/17/55/85/497175585.db2.gz XABKAWIQEXLMLV-HZNYWTHISA-N -1 3 369.961 3.068 20 0 FGADHM O=C(N[C@@H]1C[C@@H]2OCCC[C@@H]12)c1cc(OCc2ccccc2)ccc1[O-] ZINC000249248744 497183340 /nfs/dbraw/zinc/18/33/40/497183340.db2.gz XPIDKXWXQSFNBE-HQRMLTQVSA-N -1 3 353.418 3.269 20 0 FGADHM COc1ccc(NC([O-])=NO[C@H]2CCCCO2)cc1OCc1ccncc1 ZINC000274882352 497189429 /nfs/dbraw/zinc/18/94/29/497189429.db2.gz HSLWWGRPVQYXEX-SFHVURJKSA-N -1 3 373.409 3.249 20 0 FGADHM COc1ccc(NC(=O)[N-]O[C@H]2CCCCO2)cc1OCc1ccncc1 ZINC000274882352 497189438 /nfs/dbraw/zinc/18/94/38/497189438.db2.gz HSLWWGRPVQYXEX-SFHVURJKSA-N -1 3 373.409 3.249 20 0 FGADHM COc1cc(C(=O)N2C[C@H](C)O[C@@H](c3ccsc3)C2)cc(OC)c1[O-] ZINC000270732378 497190239 /nfs/dbraw/zinc/19/02/39/497190239.db2.gz GSXWWWCHEPHLJC-MEDUHNTESA-N -1 3 363.435 3.073 20 0 FGADHM COCCC1(CNC(=O)c2cc(OC)c([O-])c(OC)c2)CCCCC1 ZINC000274927103 497200507 /nfs/dbraw/zinc/20/05/07/497200507.db2.gz NKVNTNCIZHRZBK-UHFFFAOYSA-N -1 3 351.443 3.126 20 0 FGADHM COc1cc(CNCc2cccc3c2OCO3)cc(Br)c1[O-] ZINC000237207926 497204703 /nfs/dbraw/zinc/20/47/03/497204703.db2.gz NMFCUXAFUPSPBN-UHFFFAOYSA-N -1 3 366.211 3.182 20 0 FGADHM O=C1CCCN1c1ccc(Cl)c(NC([O-])=NO[C@@H]2CCCCO2)c1 ZINC000274961503 497206675 /nfs/dbraw/zinc/20/66/75/497206675.db2.gz WTXVGHJGRQLQCW-OAHLLOKOSA-N -1 3 353.806 3.047 20 0 FGADHM O=C([N-]O[C@@H]1CCCCO1)Nc1cc(N2CCCC2=O)ccc1Cl ZINC000274961503 497206681 /nfs/dbraw/zinc/20/66/81/497206681.db2.gz WTXVGHJGRQLQCW-OAHLLOKOSA-N -1 3 353.806 3.047 20 0 FGADHM Cc1cc(=O)[n-]c([C@H](C)N2CCC(n3ccc(C(F)(F)F)n3)CC2)n1 ZINC000192770856 497210014 /nfs/dbraw/zinc/21/00/14/497210014.db2.gz UKUFLGNMSUVLRM-NSHDSACASA-N -1 3 355.364 3.104 20 0 FGADHM O=C([N-]OC[C@@H]1CCOC1)Nc1ccc(COCc2ccccc2)cc1 ZINC000189698104 497215673 /nfs/dbraw/zinc/21/56/73/497215673.db2.gz ZCVMUOSPSHZCAS-GOSISDBHSA-N -1 3 356.422 3.493 20 0 FGADHM Cc1cccnc1C(F)(F)C(=O)[N-]Cc1ncc(-c2ccccc2)cn1 ZINC000192833931 497225657 /nfs/dbraw/zinc/22/56/57/497225657.db2.gz YLCKXGKUXNPEHS-UHFFFAOYSA-N -1 3 354.360 3.255 20 0 FGADHM Cc1cccnc1C(F)(F)C(=O)[N-][C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000278820002 497231421 /nfs/dbraw/zinc/23/14/21/497231421.db2.gz SZRCKJUIYYNEEE-OIRASMEMSA-N -1 3 352.406 3.097 20 0 FGADHM O=c1[n-]c(SCc2csc(-c3ccc(F)cc3)n2)nc2[nH]ncc21 ZINC000192943147 497253167 /nfs/dbraw/zinc/25/31/67/497253167.db2.gz VMKPTQSJYWQVCV-UHFFFAOYSA-N -1 3 359.411 3.201 20 0 FGADHM C[C@@H](C(=O)[N-]C1=NCCS1)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000266213992 497281523 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CO[C@H](C)CS(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1-n1cccc1 ZINC000193323327 497350308 /nfs/dbraw/zinc/35/03/08/497350308.db2.gz YIAOPESRAJVLNA-LLVKDONJSA-N -1 3 362.373 3.273 20 0 FGADHM CCC(CC)C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000193341001 497355010 /nfs/dbraw/zinc/35/50/10/497355010.db2.gz IOASKVNCCMHZLU-UHFFFAOYSA-N -1 3 352.378 3.452 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2ccccc2CCN(C)C)cc1Cl ZINC000275637638 497389999 /nfs/dbraw/zinc/38/99/99/497389999.db2.gz AWSVAVVOSJUILP-UHFFFAOYSA-N -1 3 368.886 3.254 20 0 FGADHM COCCn1ccc2ccc(NC(=O)c3cc(OC)c([O-])c(OC)c3)cc21 ZINC000271632166 497404447 /nfs/dbraw/zinc/40/44/47/497404447.db2.gz YQAQEWWZXAMMPD-UHFFFAOYSA-N -1 3 370.405 3.263 20 0 FGADHM CN(C)c1noc(CCC(=O)Nc2cc(Cc3ccccc3)ccc2[O-])n1 ZINC000275720487 497412412 /nfs/dbraw/zinc/41/24/12/497412412.db2.gz RQNCTJASPIEKOT-UHFFFAOYSA-N -1 3 366.421 3.003 20 0 FGADHM COc1cccc([C@@H](C)C(=O)Nc2n[n-]c(-c3ccccc3OC)n2)c1 ZINC000193622396 497430361 /nfs/dbraw/zinc/43/03/61/497430361.db2.gz 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/nfs/dbraw/zinc/95/35/04/505953504.db2.gz QVGDOGOXEONBPM-AWEZNQCLSA-N -1 3 362.426 3.251 20 0 FGADHM CN(CCCc1cc(-c2ccccc2)no1)C(=O)c1ccc2n[n-]nc2c1 ZINC000364466167 497972165 /nfs/dbraw/zinc/97/21/65/497972165.db2.gz HTFULHOSNFLZPR-UHFFFAOYSA-N -1 3 361.405 3.318 20 0 FGADHM CC(C)(C)c1cc(NC([O-])=NOC(C)(C)CO)n(Cc2ccccc2)n1 ZINC000296296109 497988932 /nfs/dbraw/zinc/98/89/32/497988932.db2.gz JDPMKALKSMIJCW-UHFFFAOYSA-N -1 3 360.458 3.053 20 0 FGADHM CC(C)(C)c1cc(NC(=O)[N-]OC(C)(C)CO)n(Cc2ccccc2)n1 ZINC000296296109 497988938 /nfs/dbraw/zinc/98/89/38/497988938.db2.gz JDPMKALKSMIJCW-UHFFFAOYSA-N -1 3 360.458 3.053 20 0 FGADHM O=S(=O)(C[C@@H]1CCCC1(F)F)[N-]Cc1nnc(-c2ccccc2)s1 ZINC000296345813 498006438 /nfs/dbraw/zinc/00/64/38/498006438.db2.gz QDFMVDCVTRRPTJ-LBPRGKRZSA-N -1 3 373.450 3.060 20 0 FGADHM Cc1ccc(C(=O)N2CCn3c(C4CCCC4)nnc3[C@@H]2C)c([O-])c1C ZINC000292437529 498016227 /nfs/dbraw/zinc/01/62/27/498016227.db2.gz YAFVFPGTZJNYSZ-AWEZNQCLSA-N -1 3 354.454 3.475 20 0 FGADHM Cc1cc(CS(=O)(=O)[N-][C@@H]2CC3(CCCC3)Oc3ccccc32)on1 ZINC000330137702 498035179 /nfs/dbraw/zinc/03/51/79/498035179.db2.gz IBKMARBOUJBLOL-MRXNPFEDSA-N -1 3 362.451 3.239 20 0 FGADHM O=C(NCc1ccc([O-])c(Br)c1)N1CCC[C@H]1[C@H]1CCCO1 ZINC000289189943 498052415 /nfs/dbraw/zinc/05/24/15/498052415.db2.gz LKBPGLUTNFNHAJ-DZGCQCFKSA-N -1 3 369.259 3.008 20 0 FGADHM CS(=O)(=O)[N-]c1ccc(-c2noc(-c3ccoc3C(F)(F)F)n2)cc1 ZINC000350402136 498094145 /nfs/dbraw/zinc/09/41/45/498094145.db2.gz UGEZZMQTOKEHDY-UHFFFAOYSA-N -1 3 373.312 3.387 20 0 FGADHM Cc1ccc(N2CCc3c(cccc3NC(=O)c3cccc([O-])c3)C2)nn1 ZINC000364706852 498103123 /nfs/dbraw/zinc/10/31/23/498103123.db2.gz YTHKEPMJJPRMMZ-UHFFFAOYSA-N -1 3 360.417 3.306 20 0 FGADHM O=C1CCC(c2nc(Cc3nc(=O)c4c(C5CC5)csc4[n-]3)no2)CC1 ZINC000350518591 498110973 /nfs/dbraw/zinc/11/09/73/498110973.db2.gz VVLDRTRGXIZVNM-UHFFFAOYSA-N -1 3 370.434 3.475 20 0 FGADHM CC(=O)Nc1cc(NC(C)=O)cc(-c2nc(-c3ccc([O-])cc3)no2)c1 ZINC000350569925 498117586 /nfs/dbraw/zinc/11/75/86/498117586.db2.gz MSUMGVCENBVOIN-UHFFFAOYSA-N -1 3 352.350 3.026 20 0 FGADHM COc1cc(-c2noc([C@H]3CC(=O)N(C)[C@H]3c3cccs3)n2)ccc1[O-] ZINC000350579276 498118605 /nfs/dbraw/zinc/11/86/05/498118605.db2.gz NYIBZGCZZJBBPC-MEDUHNTESA-N -1 3 371.418 3.199 20 0 FGADHM COc1cc(-c2nc(-c3ccc(-c4nnco4)cc3)no2)cc(OC)c1[O-] ZINC000350769965 498134133 /nfs/dbraw/zinc/13/41/33/498134133.db2.gz CZYLIIKSSQSMCH-UHFFFAOYSA-N -1 3 366.333 3.176 20 0 FGADHM CCOc1cc(-c2noc([C@@H]3CCc4nccn4C3)n2)cc(Cl)c1[O-] ZINC000350774486 498134546 /nfs/dbraw/zinc/13/45/46/498134546.db2.gz BZOAHNAYPVHQHU-SNVBAGLBSA-N -1 3 360.801 3.421 20 0 FGADHM Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C)c2)s1 ZINC000289407296 498134794 /nfs/dbraw/zinc/13/47/94/498134794.db2.gz GLJCRXQHKUMEJU-MRVPVSSYSA-N -1 3 365.402 3.213 20 0 FGADHM Cc1nnc([C@H](C)[N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C)c2)s1 ZINC000289407298 498134835 /nfs/dbraw/zinc/13/48/35/498134835.db2.gz GLJCRXQHKUMEJU-QMMMGPOBSA-N -1 3 365.402 3.213 20 0 FGADHM O=S(=O)([N-][C@@H]1CCOC2(CCC2)C1)c1ccc(Cl)cc1Cl ZINC000281398259 498135625 /nfs/dbraw/zinc/13/56/25/498135625.db2.gz HMWCFXJGXDRRHN-LLVKDONJSA-N -1 3 350.267 3.373 20 0 FGADHM CCOc1nc2cc(C(=O)N[C@@H]3CCO[C@@H](c4ccncc4)C3)ccc2[n-]1 ZINC000575632812 505986234 /nfs/dbraw/zinc/98/62/34/505986234.db2.gz WBFXAUSLUKLGFB-CRAIPNDOSA-N -1 3 366.421 3.007 20 0 FGADHM CCOc1nc2ccc(C(=O)N[C@@H]3CCO[C@@H](c4ccncc4)C3)cc2[n-]1 ZINC000575632812 505986239 /nfs/dbraw/zinc/98/62/39/505986239.db2.gz WBFXAUSLUKLGFB-CRAIPNDOSA-N -1 3 366.421 3.007 20 0 FGADHM O=C([O-])[C@@H]1CN(Cc2nc(-c3ccccc3F)no2)C[C@H]1c1ccccc1 ZINC000572521687 505988781 /nfs/dbraw/zinc/98/87/81/505988781.db2.gz PDLRAGOMYXSPID-JKSUJKDBSA-N -1 3 367.380 3.176 20 0 FGADHM CC(C)[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)CCO1 ZINC000330627763 498162954 /nfs/dbraw/zinc/16/29/54/498162954.db2.gz KOQCSIIJAZUQOL-DGCLKSJQSA-N -1 3 369.380 3.326 20 0 FGADHM CCCOc1ccc(Cc2nc(-c3cc(=O)[n-]cn3)no2)cc1OCCC ZINC000578650871 505989668 /nfs/dbraw/zinc/98/96/68/505989668.db2.gz OXCASFIEPUDDAN-UHFFFAOYSA-N -1 3 370.409 3.401 20 0 FGADHM Cc1nc(C)c(CCC(=O)Nc2ccc(Cl)c(CN(C)C)c2)c(=O)[n-]1 ZINC000281494935 498169597 /nfs/dbraw/zinc/16/95/97/498169597.db2.gz TZYZAGSRCCKHGI-UHFFFAOYSA-N -1 3 362.861 3.085 20 0 FGADHM CC(C)(c1noc(-c2cncc([N-]S(C)(=O)=O)c2)n1)C1=CCCCC1 ZINC000351049449 498169735 /nfs/dbraw/zinc/16/97/35/498169735.db2.gz GMIBEKWFEHGRCR-UHFFFAOYSA-N -1 3 362.455 3.281 20 0 FGADHM Cc1ccc2c(ncc(C(=O)[O-])c2N2CCN(CCOC(C)C)CC2)c1C ZINC000578656148 505990627 /nfs/dbraw/zinc/99/06/27/505990627.db2.gz KCWDXTKTOBAWHR-UHFFFAOYSA-N -1 3 371.481 3.097 20 0 FGADHM CCc1cccc(C(=O)N[C@H](CO)c2ccc(C(F)(F)F)cc2)c1[O-] ZINC000578682189 505995858 /nfs/dbraw/zinc/99/58/58/505995858.db2.gz OZNOPACPETWPBX-OAHLLOKOSA-N -1 3 353.340 3.437 20 0 FGADHM COc1cc(Cl)c(S(=O)(=O)[N-]C[C@H]2CCC(F)(F)C2)cc1OC ZINC000281603134 498210442 /nfs/dbraw/zinc/21/04/42/498210442.db2.gz KCCSFMMODPSVKH-VIFPVBQESA-N -1 3 369.817 3.071 20 0 FGADHM Cc1cc(C(C)(C)C)cc(C)c1Cc1noc([C@H](C)[N-]S(C)(=O)=O)n1 ZINC000330888408 498211906 /nfs/dbraw/zinc/21/19/06/498211906.db2.gz AOQAVLPGOHTLOK-ZDUSSCGKSA-N -1 3 365.499 3.185 20 0 FGADHM CCCC(=O)Nc1cccc(-n2c([O-])c(CC(F)(F)F)[nH]c2=O)c1C ZINC000285830175 498213470 /nfs/dbraw/zinc/21/34/70/498213470.db2.gz CKHQHGSQPFXCTP-NSHDSACASA-N -1 3 357.332 3.111 20 0 FGADHM COc1cc2c(cc1F)CC[C@H]2NC(=O)c1c[n-]c2ccccc2c1=O ZINC000575764456 505999210 /nfs/dbraw/zinc/99/92/10/505999210.db2.gz YSMFKIFKDHJLKM-QGZVFWFLSA-N -1 3 352.365 3.093 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F)c1cc2ccccc2o1 ZINC000292989978 498225199 /nfs/dbraw/zinc/22/51/99/498225199.db2.gz FXVHBCZKKZTAHY-SECBINFHSA-N -1 3 373.356 3.225 20 0 FGADHM O=S(=O)([N-]c1cc([C@H]2CCCOC2)n[nH]1)c1cccc2ccccc21 ZINC000572574793 506001136 /nfs/dbraw/zinc/00/11/36/506001136.db2.gz ZMSPSKIILREBIM-AWEZNQCLSA-N -1 3 357.435 3.258 20 0 FGADHM CC(C)(CC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)c1ccccc1 ZINC000281682246 498235278 /nfs/dbraw/zinc/23/52/78/498235278.db2.gz KQZPOZNDQBVJCO-UHFFFAOYSA-N -1 3 370.415 3.271 20 0 FGADHM CC1(C)[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)[C@@H]2CCCO[C@H]21 ZINC000572579938 506003182 /nfs/dbraw/zinc/00/31/82/506003182.db2.gz HUBHHDHHZAVWEL-ZLKJLUDKSA-N -1 3 364.294 3.475 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N2C[C@]3(C[C@@H]4CC[C@H]3C4)OC(C)(C)C2)c1 ZINC000281751710 498258025 /nfs/dbraw/zinc/25/80/25/498258025.db2.gz KQJVWZRWMCRSFN-WIEQDCTASA-N -1 3 372.465 3.160 20 0 FGADHM [O-]c1cc(F)cc(CN2CCOC[C@H]2c2nc(-c3cccs3)no2)c1 ZINC000281762587 498261051 /nfs/dbraw/zinc/26/10/51/498261051.db2.gz LNVZATDRDFBQND-AWEZNQCLSA-N -1 3 361.398 3.216 20 0 FGADHM CC(C)(Cc1ccccc1)C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000281781718 498268051 /nfs/dbraw/zinc/26/80/51/498268051.db2.gz ROBKKCXTKFCWSB-UHFFFAOYSA-N -1 3 370.415 3.172 20 0 FGADHM Cc1nc2cc(Br)cc(NC([O-])=NO[C@@H]3CCCCO3)c2o1 ZINC000296985646 498276918 /nfs/dbraw/zinc/27/69/18/498276918.db2.gz UBNPDBHRTGGZOU-GFCCVEGCSA-N -1 3 370.203 3.478 20 0 FGADHM Cc1nc2cc(Br)cc(NC(=O)[N-]O[C@@H]3CCCCO3)c2o1 ZINC000296985646 498276924 /nfs/dbraw/zinc/27/69/24/498276924.db2.gz UBNPDBHRTGGZOU-GFCCVEGCSA-N -1 3 370.203 3.478 20 0 FGADHM Cc1nc(C)c(S(=O)(=O)[N-]Cc2csc(Br)c2)s1 ZINC000331216298 498277718 /nfs/dbraw/zinc/27/77/18/498277718.db2.gz PCHWPYWIVJPPOL-UHFFFAOYSA-N -1 3 367.315 3.062 20 0 FGADHM Cc1ccc2c(ncc(C(=O)[O-])c2N2C[C@@H](C)O[C@@]3(CCCOC3)C2)c1C ZINC000572606239 506009734 /nfs/dbraw/zinc/00/97/34/506009734.db2.gz KIDYQDJBHJRLEN-SZNDQCEHSA-N -1 3 370.449 3.324 20 0 FGADHM CN(C(=O)c1cc(=O)c2ccccc2[n-]1)C1CC(NC(=O)OC(C)(C)C)C1 ZINC000297015857 498287941 /nfs/dbraw/zinc/28/79/41/498287941.db2.gz SNSRWPJEGKHDTF-UHFFFAOYSA-N -1 3 371.437 3.068 20 0 FGADHM CSC[C@H](C)C(=O)N1CCC(C(=O)Nc2ccc(Cl)cc2[O-])CC1 ZINC000331282166 498292157 /nfs/dbraw/zinc/29/21/57/498292157.db2.gz VJOARTJGISCTEE-NSHDSACASA-N -1 3 370.902 3.222 20 0 FGADHM CCOc1ccncc1S(=O)(=O)[N-]C[C@H]1CCCC[C@H]1C(F)(F)F ZINC000331338520 498304995 /nfs/dbraw/zinc/30/49/95/498304995.db2.gz RJKKQKOZGOJZAC-VXGBXAGGSA-N -1 3 366.405 3.127 20 0 FGADHM C[C@@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)c3ccccc32)c2c([O-])cccc21 ZINC000286145767 498304984 /nfs/dbraw/zinc/30/49/84/498304984.db2.gz RNHFPXNBTUGAMJ-CJNGLKHVSA-N -1 3 371.458 3.194 20 0 FGADHM Cn1cc(C(F)(F)F)nc1[C@@H]1CCCN(Cc2cc(C(=O)[O-])co2)C1 ZINC000581553818 506014126 /nfs/dbraw/zinc/01/41/26/506014126.db2.gz HJYSYNOWULLXDD-SNVBAGLBSA-N -1 3 357.332 3.110 20 0 FGADHM O=C([N-]CC1CCN(c2ccc3ccc(F)cc3n2)CC1)C(F)(F)F ZINC000281972574 498341157 /nfs/dbraw/zinc/34/11/57/498341157.db2.gz UIEVHNUPQFNAIJ-UHFFFAOYSA-N -1 3 355.335 3.269 20 0 FGADHM Cc1ccc([C@H]2OCCC[C@H]2[N-]S(=O)(=O)c2cncc(Cl)c2)cc1 ZINC000331481864 498345966 /nfs/dbraw/zinc/34/59/66/498345966.db2.gz XKZSPZCHUDQIQP-IAGOWNOFSA-N -1 3 366.870 3.242 20 0 FGADHM Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)NCc2nnc(C(F)(F)F)[n-]2)o1 ZINC000331518444 498357835 /nfs/dbraw/zinc/35/78/35/498357835.db2.gz VKWMBBPHHCACCM-MWLCHTKSSA-N -1 3 371.363 3.408 20 0 FGADHM Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)NCc2n[n-]c(C(F)(F)F)n2)o1 ZINC000331518444 498357842 /nfs/dbraw/zinc/35/78/42/498357842.db2.gz VKWMBBPHHCACCM-MWLCHTKSSA-N -1 3 371.363 3.408 20 0 FGADHM Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)NCc2nc(C(F)(F)F)n[n-]2)o1 ZINC000331518444 498357851 /nfs/dbraw/zinc/35/78/51/498357851.db2.gz VKWMBBPHHCACCM-MWLCHTKSSA-N -1 3 371.363 3.408 20 0 FGADHM Cc1ncc(S(=O)(=O)[N-][C@@H](c2ccncc2)c2ccc(F)cc2)s1 ZINC000361240499 498363530 /nfs/dbraw/zinc/36/35/30/498363530.db2.gz LRCPKZNYWDWEGF-MRXNPFEDSA-N -1 3 363.439 3.054 20 0 FGADHM O=C(Cc1ccc([O-])c(F)c1)N[C@H]1C[C@@H]1c1ccccc1OC(F)F ZINC000581589483 506022048 /nfs/dbraw/zinc/02/20/48/506022048.db2.gz WJCMBVAQDRIUSQ-OCCSQVGLSA-N -1 3 351.324 3.348 20 0 FGADHM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1cccc(C[S@](C)=O)c1 ZINC000282034380 498365682 /nfs/dbraw/zinc/36/56/82/498365682.db2.gz RSXJEGJHQNXEKL-QFIPXVFZSA-N -1 3 355.456 3.122 20 0 FGADHM CC1(C(=O)NCc2ccc([O-])c(F)c2)CCN(C(=O)c2ccccc2)CC1 ZINC000365277309 498383792 /nfs/dbraw/zinc/38/37/92/498383792.db2.gz DPMJCNUJAUALEE-UHFFFAOYSA-N -1 3 370.424 3.090 20 0 FGADHM CO[C@H](C)CS(=O)(=O)[N-]c1ccc(SCc2cccnc2)cc1 ZINC000282143564 498397659 /nfs/dbraw/zinc/39/76/59/498397659.db2.gz DVMSZGVVURBWDM-CYBMUJFWSA-N -1 3 352.481 3.151 20 0 FGADHM c1cnn(Cc2ccc(-c3noc(-c4n[n-]nc4-c4ccccc4)n3)cc2)c1 ZINC000578816875 506027449 /nfs/dbraw/zinc/02/74/49/506027449.db2.gz MMBNLLITRRNEAF-UHFFFAOYSA-N -1 3 369.388 3.434 20 0 FGADHM C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2C(=O)c2c[n-]c3ccccc3c2=O)C1 ZINC000282172300 498410931 /nfs/dbraw/zinc/41/09/31/498410931.db2.gz RJFAGYAQEAITIK-UVDFWXMISA-N -1 3 354.450 3.342 20 0 FGADHM O=C(c1ccc(O)cc1[O-])N1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000361767630 498428229 /nfs/dbraw/zinc/42/82/29/498428229.db2.gz MYIKEEASSQTCKG-NSHDSACASA-N -1 3 356.353 3.398 20 0 FGADHM C[C@H](CN(C)c1nc(C2CC2)nc2sc3c(c21)CCCC3)c1nnn[n-]1 ZINC000302172186 498428287 /nfs/dbraw/zinc/42/82/87/498428287.db2.gz UXJVTLBUOYVCMY-SNVBAGLBSA-N -1 3 369.498 3.201 20 0 FGADHM C[C@H](CN(C)c1nc(C2CC2)nc2sc3c(c21)CCCC3)c1nn[n-]n1 ZINC000302172186 498428293 /nfs/dbraw/zinc/42/82/93/498428293.db2.gz UXJVTLBUOYVCMY-SNVBAGLBSA-N -1 3 369.498 3.201 20 0 FGADHM C[C@H](C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1)[C@@H](N)c1ccccc1 ZINC000361968699 498446737 /nfs/dbraw/zinc/44/67/37/498446737.db2.gz OPGVHEYAKNBQFY-MGPUTAFESA-N -1 3 366.461 3.150 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(NCc3csc(COC)n3)nc2)n1 ZINC000569895474 506040540 /nfs/dbraw/zinc/04/05/40/506040540.db2.gz QKGHGWXAAAKWDV-UHFFFAOYSA-N -1 3 357.439 3.022 20 0 FGADHM CCCCCC[C@H](C)C(=O)N1CCC(c2n[n-]c(C(=O)OCC)n2)CC1 ZINC000365462359 498479626 /nfs/dbraw/zinc/47/96/26/498479626.db2.gz NSXJJXOXXPEKCW-AWEZNQCLSA-N -1 3 364.490 3.294 20 0 FGADHM CCCCCC[C@H](C)C(=O)N1CCC(c2nnc(C(=O)OCC)[n-]2)CC1 ZINC000365462359 498479630 /nfs/dbraw/zinc/47/96/30/498479630.db2.gz NSXJJXOXXPEKCW-AWEZNQCLSA-N -1 3 364.490 3.294 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)N1CCC[C@H](n2cnc3ccccc32)C1 ZINC000365464389 498480366 /nfs/dbraw/zinc/48/03/66/498480366.db2.gz FXZXLMRJJQDKEN-HNNXBMFYSA-N -1 3 368.412 3.428 20 0 FGADHM CN(CCC[N-]C(=O)C(F)(F)F)[C@@H](c1ccc(F)cc1)c1cccnc1 ZINC000362307259 498493680 /nfs/dbraw/zinc/49/36/80/498493680.db2.gz UNCRJFRWSYTHEG-INIZCTEOSA-N -1 3 369.362 3.311 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N[C@H](C)c3nc4c(s3)CCC4)c[n-]c12 ZINC000569904984 506043798 /nfs/dbraw/zinc/04/37/98/506043798.db2.gz UEVDOFPATQUJFU-SNVBAGLBSA-N -1 3 371.437 3.412 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@@H]2CCC[C@@H](F)C2)c1-c1ccc2c(c1)OCCO2 ZINC000578883577 506044204 /nfs/dbraw/zinc/04/42/04/506044204.db2.gz SIMQUXQMFSRFON-ZIAGYGMSSA-N -1 3 359.401 3.045 20 0 FGADHM O=C(N[C@@H]1CCO[C@]2(CCOC2)C1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000362362176 498503498 /nfs/dbraw/zinc/50/34/98/498503498.db2.gz TYCCOIRTALPDCT-QVKFZJNVSA-N -1 3 369.417 3.252 20 0 FGADHM Cc1noc([C@H]2CCCN2C(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)n1 ZINC000286799242 498512760 /nfs/dbraw/zinc/51/27/60/498512760.db2.gz VTBBKXLENJOWSQ-CQSZACIVSA-N -1 3 356.357 3.057 20 0 FGADHM CSc1ccc(C(=O)N2CCC[C@@H](c3nnc4ccccn43)C2)c([O-])c1 ZINC000365542828 498523066 /nfs/dbraw/zinc/52/30/66/498523066.db2.gz BMBWSYRRPDVXGR-CYBMUJFWSA-N -1 3 368.462 3.177 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H](C)[C@H](O)c3ccc(F)cc3)nc2)n1 ZINC000302655352 498524688 /nfs/dbraw/zinc/52/46/88/498524688.db2.gz KTESXXUBNUTIJB-BUXKBTBVSA-N -1 3 368.412 3.480 20 0 FGADHM Cc1nc(C)c(CCC(=O)N2CC=C(c3ccc(Cl)nc3)CC2)c(=O)[n-]1 ZINC000362633187 498527798 /nfs/dbraw/zinc/52/77/98/498527798.db2.gz DQKQLLNWHPRNBJ-UHFFFAOYSA-N -1 3 372.856 3.096 20 0 FGADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCC(CO)(c2ccccc2)CC1 ZINC000293913735 498531801 /nfs/dbraw/zinc/53/18/01/498531801.db2.gz MMJKUONGZVWHSI-UHFFFAOYSA-N -1 3 362.429 3.107 20 0 FGADHM C[C@@H]1CCC[C@H](CC(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)C1 ZINC000332026792 498536584 /nfs/dbraw/zinc/53/65/84/498536584.db2.gz XMOFSXQLZMZGCY-CVEARBPZSA-N -1 3 358.482 3.329 20 0 FGADHM Cc1ccc([C@@H]2C[C@@H]2C(=O)Nc2cc(C)ccc2[N-]S(C)(=O)=O)s1 ZINC000365570544 498536870 /nfs/dbraw/zinc/53/68/70/498536870.db2.gz WOVLGAAHPSFFQY-OLZOCXBDSA-N -1 3 364.492 3.479 20 0 FGADHM CC[C@H]1CCN1C(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000293939103 498539616 /nfs/dbraw/zinc/53/96/16/498539616.db2.gz IEMWRFMTLAKXNA-LBPRGKRZSA-N -1 3 358.891 3.041 20 0 FGADHM COc1cc(C(=O)N2CCC[C@@H]2Cn2ccnc2C(C)C)cc(OC)c1[O-] ZINC000362702256 498541508 /nfs/dbraw/zinc/54/15/08/498541508.db2.gz BOKZBLHLGQJSKZ-OAHLLOKOSA-N -1 3 373.453 3.034 20 0 FGADHM O=C([N-]C[C@@H]1CCCN(C(=O)c2csc3c2CCCC3)C1)C(F)(F)F ZINC000290435571 498551654 /nfs/dbraw/zinc/55/16/54/498551654.db2.gz STGDTUXFORRSME-NSHDSACASA-N -1 3 374.428 3.158 20 0 FGADHM CC[C@@H]1c2ccsc2CCN1C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000332084738 498555568 /nfs/dbraw/zinc/55/55/68/498555568.db2.gz DXOHHJYSAIPHLY-SECBINFHSA-N -1 3 359.377 3.104 20 0 FGADHM CC[C@@H]1c2ccsc2CCN1C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000332084738 498555573 /nfs/dbraw/zinc/55/55/73/498555573.db2.gz DXOHHJYSAIPHLY-SECBINFHSA-N -1 3 359.377 3.104 20 0 FGADHM CC[C@@H]1c2ccsc2CCN1C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000332084738 498555578 /nfs/dbraw/zinc/55/55/78/498555578.db2.gz DXOHHJYSAIPHLY-SECBINFHSA-N -1 3 359.377 3.104 20 0 FGADHM O=C([O-])[C@@H](c1ccsc1)N1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000581731741 506055866 /nfs/dbraw/zinc/05/58/66/506055866.db2.gz OAOJYHOAELWDOL-CYBMUJFWSA-N -1 3 359.373 3.426 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N3CC(C)(C)[C@H]3[C@@H]3CCCO3)c[n-]c12 ZINC000290496230 498574054 /nfs/dbraw/zinc/57/40/54/498574054.db2.gz FQNZZVNGQGXPDE-MAUKXSAKSA-N -1 3 358.413 3.418 20 0 FGADHM CCOC(=O)c1cc(C(=O)O[C@H](c2ccccn2)C(F)(F)F)[n-]c1C ZINC000297813481 498575482 /nfs/dbraw/zinc/57/54/82/498575482.db2.gz NYTRJNREQHSHGA-CYBMUJFWSA-N -1 3 356.300 3.355 20 0 FGADHM C[C@@H](NC(=O)c1c[n-]c2ccccc2c1=O)[C@@H]1OCCc2sccc21 ZINC000294062642 498577857 /nfs/dbraw/zinc/57/78/57/498577857.db2.gz HAVFLNADXZGHBZ-ZMZPIMSZSA-N -1 3 354.431 3.434 20 0 FGADHM FC(F)(F)COc1ncccc1-c1nc(-c2ccc3n[n-]nc3c2)no1 ZINC000578949774 506058129 /nfs/dbraw/zinc/05/81/29/506058129.db2.gz VCIWMNWYHCYZKI-UHFFFAOYSA-N -1 3 362.271 3.011 20 0 FGADHM C[C@H](NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])c1c(F)cccc1F ZINC000362937361 498585074 /nfs/dbraw/zinc/58/50/74/498585074.db2.gz YJERJYMNWOPVNJ-BLLLJJGKSA-N -1 3 374.387 3.152 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(N(C)Cc3cc(C(C)(C)C)n[nH]3)nc2)n1 ZINC000365672421 498590499 /nfs/dbraw/zinc/59/04/99/498590499.db2.gz VCOHELDEULFKMS-UHFFFAOYSA-N -1 3 366.469 3.464 20 0 FGADHM Cc1ccc2c(ncc(C(=O)[O-])c2N(C)CCN2CCOC(C)(C)C2)c1C ZINC000569977673 506060345 /nfs/dbraw/zinc/06/03/45/506060345.db2.gz RGQXMFGTDBCZIB-UHFFFAOYSA-N -1 3 371.481 3.097 20 0 FGADHM COc1cccc(C(=O)NCCc2ccc(OC(F)(F)F)cc2)c1[O-] ZINC000302990254 498637663 /nfs/dbraw/zinc/63/76/63/498637663.db2.gz XHCZNBSZNJIGOU-UHFFFAOYSA-N -1 3 355.312 3.272 20 0 FGADHM COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)c2cccc(C)c2[O-])C1 ZINC000303100419 498648096 /nfs/dbraw/zinc/64/80/96/498648096.db2.gz BVKGULQPQSCIIO-CQSZACIVSA-N -1 3 360.841 3.371 20 0 FGADHM CCOC(=O)[C@H]1CCCc2sc([N-]C(=O)c3cc(C(C)C)no3)nc21 ZINC000294296238 498648488 /nfs/dbraw/zinc/64/84/88/498648488.db2.gz UNIJFLVCZDGSBD-JTQLQIEISA-N -1 3 363.439 3.490 20 0 FGADHM CCOc1cc(CN[C@H](C(=O)OC)c2cccc(O)c2)cc(Cl)c1[O-] ZINC000298095685 498663382 /nfs/dbraw/zinc/66/33/82/498663382.db2.gz NAWVFFZUVDFDJV-INIZCTEOSA-N -1 3 365.813 3.154 20 0 FGADHM O=c1nc(CN[C@H](c2ccccc2)C2(CO)CCC2)[n-]c2ccsc21 ZINC000298098117 498663526 /nfs/dbraw/zinc/66/35/26/498663526.db2.gz IQLJTLKGYGYCHP-QGZVFWFLSA-N -1 3 355.463 3.390 20 0 FGADHM CCOc1cc(CN[C@@H](C(=O)OC)c2cccc(O)c2)cc(Cl)c1[O-] ZINC000298095695 498663715 /nfs/dbraw/zinc/66/37/15/498663715.db2.gz NAWVFFZUVDFDJV-MRXNPFEDSA-N -1 3 365.813 3.154 20 0 FGADHM Cc1cc(C(=O)[N-]c2cc(-c3nnc4n3CCCCC4)ccc2F)no1 ZINC000298142522 498675424 /nfs/dbraw/zinc/67/54/24/498675424.db2.gz IFPWLYXDSVILDE-UHFFFAOYSA-N -1 3 355.373 3.359 20 0 FGADHM COC(=O)[C@@H](C)Cc1ccc(NC(=O)c2[n-]nc3c2cccc3OC)cc1 ZINC000581849291 506073548 /nfs/dbraw/zinc/07/35/48/506073548.db2.gz KBDVNVOBLZPKGP-LBPRGKRZSA-N -1 3 367.405 3.175 20 0 FGADHM COC(=O)[C@@H](C)Cc1ccc(NC(=O)c2n[n-]c3c2cccc3OC)cc1 ZINC000581849291 506073552 /nfs/dbraw/zinc/07/35/52/506073552.db2.gz KBDVNVOBLZPKGP-LBPRGKRZSA-N -1 3 367.405 3.175 20 0 FGADHM CC(C)(C)C(=O)NC[C@@H]1CCCN(C(=O)c2cc3c(cc2[O-])CCCC3)C1 ZINC000332490923 498702742 /nfs/dbraw/zinc/70/27/42/498702742.db2.gz AQPSJWIQZFPTMA-HNNXBMFYSA-N -1 3 372.509 3.286 20 0 FGADHM CCOc1cc(CN[C@@H](C)c2cn(C)nc2C)cc(Br)c1[O-] ZINC000298234756 498704083 /nfs/dbraw/zinc/70/40/83/498704083.db2.gz BSFVABCWYRKVKE-JTQLQIEISA-N -1 3 368.275 3.446 20 0 FGADHM COCCCON=C([O-])Nc1cc(NC(=O)OC(C)(C)C)ccc1F ZINC000287363843 498730458 /nfs/dbraw/zinc/73/04/58/498730458.db2.gz SGQDAVBAZRCQDV-UHFFFAOYSA-N -1 3 357.382 3.262 20 0 FGADHM COCCCO[N-]C(=O)Nc1cc(NC(=O)OC(C)(C)C)ccc1F ZINC000287363843 498730463 /nfs/dbraw/zinc/73/04/63/498730463.db2.gz SGQDAVBAZRCQDV-UHFFFAOYSA-N -1 3 357.382 3.262 20 0 FGADHM CCc1cc(C(=O)N(C)C2CCN(c3cc(C)nc(C)n3)CC2)ccc1[O-] ZINC000366015208 498734365 /nfs/dbraw/zinc/73/43/65/498734365.db2.gz RCENBNQHJWUDBU-UHFFFAOYSA-N -1 3 368.481 3.102 20 0 FGADHM Cc1cc(C)cc([C@@H](O)CNC(=O)c2cc([O-])ccc2C(F)(F)F)c1 ZINC000282983556 498734654 /nfs/dbraw/zinc/73/46/54/498734654.db2.gz DOHIWMQOSLTJCY-INIZCTEOSA-N -1 3 353.340 3.491 20 0 FGADHM CCN(CC)[C@@H](CNC(=O)c1s[n-]c(=O)c1Cl)c1ccccc1 ZINC000282983262 498735053 /nfs/dbraw/zinc/73/50/53/498735053.db2.gz NIVSMTOHCCSOOI-LBPRGKRZSA-N -1 3 353.875 3.315 20 0 FGADHM CCc1cc(C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)ccc1[O-] ZINC000366021057 498737459 /nfs/dbraw/zinc/73/74/59/498737459.db2.gz DYCHKMFJPQBETD-UHFFFAOYSA-N -1 3 365.433 3.487 20 0 FGADHM COc1ccc([C@H](O)C2CCN(C(=O)c3cccc(C)c3[O-])CC2)cc1 ZINC000291006255 498755061 /nfs/dbraw/zinc/75/50/61/498755061.db2.gz DBWPOSDMOGAAFO-FQEVSTJZSA-N -1 3 355.434 3.295 20 0 FGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1cccc(-c2nc(C)c(C)[nH]2)c1 ZINC000363323801 498761902 /nfs/dbraw/zinc/76/19/02/498761902.db2.gz DQZMPQOZXQVMIF-UHFFFAOYSA-N -1 3 369.450 3.472 20 0 FGADHM Cc1ccc(C(=O)N2CCC[C@H](c3nnc4n3CCCCC4)C2)c([O-])c1 ZINC000298412139 498763167 /nfs/dbraw/zinc/76/31/67/498763167.db2.gz BMYLHZFOYZOICC-HNNXBMFYSA-N -1 3 354.454 3.038 20 0 FGADHM Oc1[n-]c(N2CCC(Sc3ccc(Cl)cc3)CC2)nc2nncc1-2 ZINC000291040461 498768753 /nfs/dbraw/zinc/76/87/53/498768753.db2.gz ZXFBELQHUVZEHD-UHFFFAOYSA-N -1 3 361.858 3.473 20 0 FGADHM CO[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000576151989 506089254 /nfs/dbraw/zinc/08/92/54/506089254.db2.gz WCEGQXXBXICVKQ-NEPJUHHUSA-N -1 3 361.891 3.221 20 0 FGADHM CC[C@]1(CO)CCCN1Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000298552741 498811047 /nfs/dbraw/zinc/81/10/47/498811047.db2.gz OHIMZKQYOZRSII-GOSISDBHSA-N -1 3 359.451 3.394 20 0 FGADHM COc1cc(C=Cc2nc(-c3cc(=O)[n-]cn3)no2)ccc1OCC(C)C ZINC000573000065 506096524 /nfs/dbraw/zinc/09/65/24/506096524.db2.gz LGGVKRHYSQCVAH-ALCCZGGFSA-N -1 3 368.393 3.446 20 0 FGADHM CC(C)(C)[C@H](O)C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000324543130 498829298 /nfs/dbraw/zinc/82/92/98/498829298.db2.gz UCFDBAHUAGJMRW-LLVKDONJSA-N -1 3 359.797 3.044 20 0 FGADHM O=S(=O)([N-]Cc1ccc(OCc2ccccc2)cc1)c1ccccn1 ZINC000573012531 506098650 /nfs/dbraw/zinc/09/86/50/506098650.db2.gz IECJJAFMZHBIKM-UHFFFAOYSA-N -1 3 354.431 3.139 20 0 FGADHM CC(C)(C)CCS(=O)(=O)[N-][C@H](C(=O)OC(C)(C)C)c1ccccc1 ZINC000326647776 498845555 /nfs/dbraw/zinc/84/55/55/498845555.db2.gz XCDWLDJDLVGDGK-HNNXBMFYSA-N -1 3 355.500 3.425 20 0 FGADHM COC1([C@@H](C)[N-]S(=O)(=O)c2csc(-c3ccccc3)n2)CCC1 ZINC000570145863 506101295 /nfs/dbraw/zinc/10/12/95/506101295.db2.gz DGNXHNTYQVPHPE-GFCCVEGCSA-N -1 3 352.481 3.046 20 0 FGADHM O=C(N[C@H]1CCCN(Cc2ncccc2[O-])C1)c1ccc2ccccc2c1 ZINC000581970766 506102175 /nfs/dbraw/zinc/10/21/75/506102175.db2.gz RFVOKSPFYCFCSA-IBGZPJMESA-N -1 3 361.445 3.335 20 0 FGADHM COc1ccc(Cn2cc([N-]S(=O)(=O)CCC(C)(C)C)cn2)cc1 ZINC000573030092 506102313 /nfs/dbraw/zinc/10/23/13/506102313.db2.gz 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/nfs/dbraw/zinc/88/72/35/498887235.db2.gz FOGLVAOFWVZFIS-UHFFFAOYSA-N -1 3 360.433 3.297 20 0 FGADHM CC1CCC(OC2CCN(C(=O)c3cc(F)cc4nn[n-]c43)CC2)CC1 ZINC000328643951 498887238 /nfs/dbraw/zinc/88/72/38/498887238.db2.gz FOGLVAOFWVZFIS-UHFFFAOYSA-N -1 3 360.433 3.297 20 0 FGADHM CC1CCC(OC2CCN(C(=O)c3cc(F)cc4n[n-]nc43)CC2)CC1 ZINC000328643951 498887243 /nfs/dbraw/zinc/88/72/43/498887243.db2.gz FOGLVAOFWVZFIS-UHFFFAOYSA-N -1 3 360.433 3.297 20 0 FGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2C[C@@H](C)n3ccnc32)c1Cl ZINC000333079981 498892398 /nfs/dbraw/zinc/89/23/98/498892398.db2.gz LSVFRSMPCPJQQH-KOLCDFICSA-N -1 3 360.266 3.483 20 0 FGADHM Cc1nc([C@@H]2CCCN(C(=O)c3cc(F)cc4[n-]nnc43)C2)sc1C ZINC000328661909 498894462 /nfs/dbraw/zinc/89/44/62/498894462.db2.gz WXQVOCHFRMCSDI-LLVKDONJSA-N -1 3 359.430 3.190 20 0 FGADHM Cc1nc([C@@H]2CCCN(C(=O)c3cc(F)cc4nn[n-]c43)C2)sc1C ZINC000328661909 498894468 /nfs/dbraw/zinc/89/44/68/498894468.db2.gz WXQVOCHFRMCSDI-LLVKDONJSA-N -1 3 359.430 3.190 20 0 FGADHM 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AEGOAHQACRHOLH-CQSZACIVSA-N -1 3 353.422 3.330 20 0 FGADHM O=C(c1cc([O-])ccc1C(F)(F)F)N1CC[C@](CO)(c2ccccc2)C1 ZINC000291378153 498917620 /nfs/dbraw/zinc/91/76/20/498917620.db2.gz ZGCTVKBGVIKLEC-SFHVURJKSA-N -1 3 365.351 3.187 20 0 FGADHM O=C(c1ccccc1)N1CC[C@@H](CSCc2cc(=O)[n-]c(C3CC3)n2)C1 ZINC000570188857 506111338 /nfs/dbraw/zinc/11/13/38/506111338.db2.gz SCXRHUQSTLZYLM-CQSZACIVSA-N -1 3 369.490 3.455 20 0 FGADHM C[C@H](NC(=O)Cc1cncc([O-])c1)c1ccc(OCC(F)(F)F)cc1 ZINC000582013532 506112646 /nfs/dbraw/zinc/11/26/46/506112646.db2.gz OQMLAOGEAZKETQ-NSHDSACASA-N -1 3 354.328 3.148 20 0 FGADHM C[C@H]1CCCc2nc(S(=O)(=O)[N-][C@H]3CCCc4sccc43)cn21 ZINC000333192099 498929449 /nfs/dbraw/zinc/92/94/49/498929449.db2.gz SJUAYIJFRNVOMN-AAEUAGOBSA-N -1 3 351.497 3.198 20 0 FGADHM CCc1cc(C(=O)Nc2cc(C(=O)N3CCCC3)ccc2OC)ccc1[O-] ZINC000291412668 498931291 /nfs/dbraw/zinc/93/12/91/498931291.db2.gz CJWMALIOIIIOAD-UHFFFAOYSA-N -1 3 368.433 3.452 20 0 FGADHM CC(C)c1cc(C(=O)N2CCC(N3CN=NC3=O)CC2)c([O-])c(C(C)C)c1 ZINC000570200840 506114206 /nfs/dbraw/zinc/11/42/06/506114206.db2.gz YMVKDQHMKVURSU-UHFFFAOYSA-N -1 3 372.469 3.413 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(N(C(C)=O)[C@@H]3C[C@H]3C)cc2)cc1 ZINC000295212741 498946047 /nfs/dbraw/zinc/94/60/47/498946047.db2.gz PNOVRSGFELIRNI-BFUOFWGJSA-N -1 3 374.462 3.257 20 0 FGADHM Cc1cc([C@@H]2CCCN(C(=O)c3ccc(Br)cc3[O-])C2)n[nH]1 ZINC000283664736 498951377 /nfs/dbraw/zinc/95/13/77/498951377.db2.gz UWAFEPKEJXSRPU-LLVKDONJSA-N -1 3 364.243 3.206 20 0 FGADHM COC[C@@H]([N-]S(=O)(=O)C[C@H]1CCCCC1(F)F)c1ccc(C)o1 ZINC000295253689 498956731 /nfs/dbraw/zinc/95/67/31/498956731.db2.gz QQRURMLQWIISLJ-CHWSQXEVSA-N -1 3 351.415 3.020 20 0 FGADHM COC[C@H]([N-]S(=O)(=O)C[C@H]1CCCCC1(F)F)c1ccc(C)o1 ZINC000295253692 498957114 /nfs/dbraw/zinc/95/71/14/498957114.db2.gz QQRURMLQWIISLJ-OLZOCXBDSA-N -1 3 351.415 3.020 20 0 FGADHM O=C(c1ccc(C(=O)N2CCOC3(CCCC3)C2)cc1)c1cccc([O-])c1 ZINC000333304753 498973396 /nfs/dbraw/zinc/97/33/96/498973396.db2.gz IDKLNHIQFRDLTC-UHFFFAOYSA-N -1 3 365.429 3.408 20 0 FGADHM Cc1c(-c2ccncc2)[n-][nH]c1=NC(=O)c1cnn(CC(C)C)c1C(F)F ZINC000363791398 498995662 /nfs/dbraw/zinc/99/56/62/498995662.db2.gz CMXSEWNXJHUBAR-UHFFFAOYSA-N -1 3 374.395 3.244 20 0 FGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@H]1CCC[C@H](C)C1 ZINC000299260600 499008782 /nfs/dbraw/zinc/00/87/82/499008782.db2.gz QODHHZQFSQCGOI-BBRMVZONSA-N -1 3 354.454 3.180 20 0 FGADHM Cc1ccc2[n-]cc(C(=O)N3CC[C@@H](n4cc(Cl)cn4)C3)c(=O)c2c1 ZINC000291637363 499018955 /nfs/dbraw/zinc/01/89/55/499018955.db2.gz VHRBKNVCTRFUJM-CYBMUJFWSA-N -1 3 356.813 3.186 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@@H]3CCCn4cc(C)nc43)nc2)n1 ZINC000366690365 499034090 /nfs/dbraw/zinc/03/40/90/499034090.db2.gz VDEMEHKECDYXQD-HNNXBMFYSA-N -1 3 364.453 3.301 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(Cl)nn3)c2)n1 ZINC000366804922 499079338 /nfs/dbraw/zinc/07/93/38/499079338.db2.gz LPWHRAPBILDXNC-UHFFFAOYSA-N -1 3 355.785 3.107 20 0 FGADHM CS(=O)(=O)[N-]c1ccc(-c2noc(C3(C(F)(F)F)CCC3)n2)cc1 ZINC000295812267 499106350 /nfs/dbraw/zinc/10/63/50/499106350.db2.gz CWHQJBAYVBWSEH-UHFFFAOYSA-N -1 3 361.345 3.092 20 0 FGADHM Cc1nc(-c2ccc(NC(=O)N3CCOC[C@H]3CC(C)C)cc2)cc(=O)[n-]1 ZINC000329481893 499127108 /nfs/dbraw/zinc/12/71/08/499127108.db2.gz DMYBISPFPADZEF-QGZVFWFLSA-N -1 3 370.453 3.436 20 0 FGADHM Cc1cccc(-n2nnnc2SCc2noc(-c3ccccc3[O-])n2)c1 ZINC000372536882 499141904 /nfs/dbraw/zinc/14/19/04/499141904.db2.gz QLNNVPOJSOWJCP-UHFFFAOYSA-N -1 3 366.406 3.019 20 0 FGADHM CC(C)C1CCN(C(=O)NC2CCN(C(=O)c3cccc([O-])c3)CC2)CC1 ZINC000369869634 499141930 /nfs/dbraw/zinc/14/19/30/499141930.db2.gz AKRRCSSNOLXBRJ-UHFFFAOYSA-N -1 3 373.497 3.074 20 0 FGADHM CC(C)[C@@H](Sc1n[n-]c(CO)n1)C(=O)Nc1ccccc1C(F)(F)F ZINC000576336415 506133513 /nfs/dbraw/zinc/13/35/13/506133513.db2.gz HEIZOSXXWIYYGQ-GFCCVEGCSA-N -1 3 374.388 3.071 20 0 FGADHM O=S(=O)(Cc1c(F)cccc1F)[N-]Cc1ncoc1-c1ccccc1 ZINC000372839081 499182742 /nfs/dbraw/zinc/18/27/42/499182742.db2.gz HFMUXGYWZMUCHJ-UHFFFAOYSA-N -1 3 364.373 3.239 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N[C@@H]3CCc4ccccc4OC3)c[n-]c12 ZINC000367344189 499184982 /nfs/dbraw/zinc/18/49/82/499184982.db2.gz UQSUINZZMJDZLX-OAHLLOKOSA-N -1 3 366.392 3.099 20 0 FGADHM COc1cccc(C(=O)N2CCCN(c3ccc(F)c(F)c3)CC2)c1[O-] ZINC000367414269 499196338 /nfs/dbraw/zinc/19/63/38/499196338.db2.gz BQJFPJZJIONEMC-UHFFFAOYSA-N -1 3 362.376 3.032 20 0 FGADHM CC(C)[C@@H](NCCC[N-]C(=O)C(F)(F)F)c1nc(-c2ccccc2)no1 ZINC000370359709 499212826 /nfs/dbraw/zinc/21/28/26/499212826.db2.gz PMYJEBLTSIKBFE-CYBMUJFWSA-N -1 3 370.375 3.092 20 0 FGADHM CN1CC[C@@H](CNC(=O)c2c(F)ccc([O-])c2F)[C@H]1c1cccs1 ZINC000367689242 499225062 /nfs/dbraw/zinc/22/50/62/499225062.db2.gz UNFZLEAZMYGWMJ-QFYYESIMSA-N -1 3 352.406 3.155 20 0 FGADHM O=C(NC1CCN(C(=O)c2cccc([O-])c2)CC1)c1sccc1C1CC1 ZINC000370720018 499248061 /nfs/dbraw/zinc/24/80/61/499248061.db2.gz ILGHBVHEGKHHFZ-UHFFFAOYSA-N -1 3 370.474 3.366 20 0 FGADHM CCc1ccsc1C(=O)NC1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000370726569 499248777 /nfs/dbraw/zinc/24/87/77/499248777.db2.gz GAWHKRMSJZMPEG-UHFFFAOYSA-N -1 3 358.463 3.051 20 0 FGADHM CC(=O)N1CCCCC[C@@H]1C1CCN(C(=O)c2cccc(C)c2[O-])CC1 ZINC000370803004 499255685 /nfs/dbraw/zinc/25/56/85/499255685.db2.gz PGLIAUAYWNCJFJ-LJQANCHMSA-N -1 3 358.482 3.344 20 0 FGADHM C[C@H]1CCc2c(C(=O)N=c3[n-]n(C)cc3Br)csc2C1 ZINC000582124017 506139262 /nfs/dbraw/zinc/13/92/62/506139262.db2.gz PQFDZLQEGZEQSG-QMMMGPOBSA-N -1 3 354.273 3.043 20 0 FGADHM CCc1cc(C(=O)N[C@H](c2noc(C)n2)c2ccccc2F)ccc1[O-] ZINC000368276985 499280927 /nfs/dbraw/zinc/28/09/27/499280927.db2.gz PCKGCZWGYDFZPI-KRWDZBQOSA-N -1 3 355.369 3.305 20 0 FGADHM O=C(c1cc(OCc2ccccc2)ccc1[O-])N1CC[C@@H](n2cccn2)C1 ZINC000368288716 499282014 /nfs/dbraw/zinc/28/20/14/499282014.db2.gz QIJNRZSEFZDYOE-QGZVFWFLSA-N -1 3 363.417 3.255 20 0 FGADHM CCc1cc(C(=O)N[C@@H](c2nccn2C)c2ccc(OC)cc2)ccc1[O-] ZINC000368292895 499282560 /nfs/dbraw/zinc/28/25/60/499282560.db2.gz VNQBKZBHIONOLS-LJQANCHMSA-N -1 3 365.433 3.216 20 0 FGADHM CC(C)c1ccc(/C=C\CC(=O)N2CCC[C@@H]2c2nc(=N)n(C)[n-]2)cc1 ZINC000582127398 506139624 /nfs/dbraw/zinc/13/96/24/506139624.db2.gz UGQXOFSAEFZYNL-XQDHMALISA-N -1 3 353.470 3.118 20 0 FGADHM CC(=O)N1C[C@@H](CCC(=O)[N-]OCc2ccc(F)cc2)c2ccccc21 ZINC000368361438 499288888 /nfs/dbraw/zinc/28/88/88/499288888.db2.gz MSZVDLGWNLVHFL-MRXNPFEDSA-N -1 3 356.397 3.304 20 0 FGADHM O=C(c1ccc(C(=O)N2CCC23CCOCC3)cc1)c1cccc([O-])c1 ZINC000368436328 499295884 /nfs/dbraw/zinc/29/58/84/499295884.db2.gz AHHNKMKGSHDKCE-UHFFFAOYSA-N -1 3 351.402 3.018 20 0 FGADHM O=C(/C=C/c1cncc([O-])c1)Nc1cccc2c1CN(c1ccccn1)C2 ZINC000368463165 499298314 /nfs/dbraw/zinc/29/83/14/499298314.db2.gz XHAGQWCDBKLRES-BQYQJAHWSA-N -1 3 358.401 3.354 20 0 FGADHM COc1cccc(C(=O)N2CCC(C(=O)c3ccc(C)cc3)CC2)c1[O-] ZINC000368761127 499329235 /nfs/dbraw/zinc/32/92/35/499329235.db2.gz SOHIDOBCNBDHMW-UHFFFAOYSA-N -1 3 353.418 3.444 20 0 FGADHM COc1cc(C2(C(=O)N=c3[nH][n-]c(-c4ccncc4)c3C)CC2)ccc1C ZINC000371822806 499369124 /nfs/dbraw/zinc/36/91/24/499369124.db2.gz NSVMGVLSRXNGBG-UHFFFAOYSA-N -1 3 362.433 3.189 20 0 FGADHM Cc1nc(-c2ccccc2)sc1C(=O)[N-]c1ncn(-c2cccnc2)n1 ZINC000371829411 499369182 /nfs/dbraw/zinc/36/91/82/499369182.db2.gz SZEUZVANIHHFQV-UHFFFAOYSA-N -1 3 362.418 3.347 20 0 FGADHM Cc1nc2c(s1)[C@H]([N-]S(=O)(=O)Cc1noc3ccccc31)CCC2 ZINC000371851390 499371570 /nfs/dbraw/zinc/37/15/70/499371570.db2.gz FVXRQZUAWHUEPO-CYBMUJFWSA-N -1 3 363.464 3.090 20 0 FGADHM CCC[C@@H](C)CS(=O)(=O)[N-][C@H](c1nc(-c2cccnc2)no1)C(C)C ZINC000369292401 499388600 /nfs/dbraw/zinc/38/86/00/499388600.db2.gz GYZIIENZEDYGMO-HIFRSBDPSA-N -1 3 366.487 3.184 20 0 FGADHM COc1cc(C(=O)N2CCC[C@H](COc3ccccc3)C2)cc(OC)c1[O-] ZINC000372317518 499420045 /nfs/dbraw/zinc/42/00/45/499420045.db2.gz YQKKRTXCQZHWAP-HNNXBMFYSA-N -1 3 371.433 3.341 20 0 FGADHM Cc1nc2c(s1)CCC[C@@H]2CNC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000372395720 499428761 /nfs/dbraw/zinc/42/87/61/499428761.db2.gz CJBPYONQUCMECD-GFCCVEGCSA-N -1 3 353.447 3.143 20 0 FGADHM CCOC(=O)c1nc(C2CCN(C(=O)CC3CCCCCC3)CC2)n[n-]1 ZINC000373067804 499449840 /nfs/dbraw/zinc/44/98/40/499449840.db2.gz CMXFRWPXCWHSPG-UHFFFAOYSA-N -1 3 362.474 3.048 20 0 FGADHM CCOC(=O)c1nnc(C2CCN(C(=O)CC3CCCCCC3)CC2)[n-]1 ZINC000373067804 499449841 /nfs/dbraw/zinc/44/98/41/499449841.db2.gz CMXFRWPXCWHSPG-UHFFFAOYSA-N -1 3 362.474 3.048 20 0 FGADHM CCOc1cc(-c2noc([C@@H]3CC(=O)Nc4cc(F)ccc43)n2)ccc1[O-] ZINC000373219060 499458169 /nfs/dbraw/zinc/45/81/69/499458169.db2.gz VABYMZCCZLUVIB-CYBMUJFWSA-N -1 3 369.352 3.454 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@H]2COc3ccc(Cl)cc3C2)c1-c1ccncc1 ZINC000373420803 499468772 /nfs/dbraw/zinc/46/87/72/499468772.db2.gz ZRLZBQWSDVPXML-CQSZACIVSA-N -1 3 368.824 3.045 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@@H](C)Oc2ccc(F)cc2Cl)c1-c1ccncc1 ZINC000373425250 499469100 /nfs/dbraw/zinc/46/91/00/499469100.db2.gz HIMANISGHURTID-LLVKDONJSA-N -1 3 374.803 3.401 20 0 FGADHM COC(=O)c1nc([C@H]2CCCN2Cc2cc([O-])cc(F)c2)sc1C ZINC000373489302 499472951 /nfs/dbraw/zinc/47/29/51/499472951.db2.gz KLILBYRSFGXJJQ-CQSZACIVSA-N -1 3 350.415 3.420 20 0 FGADHM COc1cccc([C@H]([N-]S(=O)(=O)c2ccccc2F)c2ccccn2)c1 ZINC000373502009 499473618 /nfs/dbraw/zinc/47/36/18/499473618.db2.gz VDQGNAFJFAOOOB-IBGZPJMESA-N -1 3 372.421 3.297 20 0 FGADHM COc1cc(-c2noc([C@@H]3Cc4ccc(F)cc4C(=O)O3)n2)ccc1[O-] ZINC000373610063 499479780 /nfs/dbraw/zinc/47/97/80/499479780.db2.gz MPFZYJURGBYDEK-HNNXBMFYSA-N -1 3 356.309 3.044 20 0 FGADHM CC[C@@H]1CN(C(=O)c2cc([O-])ccc2C(F)(F)F)C[C@@]2(CCCOC2)O1 ZINC000373705140 499484235 /nfs/dbraw/zinc/48/42/35/499484235.db2.gz IRDXVHKBZNXNKV-CXAGYDPISA-N -1 3 373.371 3.211 20 0 FGADHM Cc1nc2ccccc2n1C1CCN(C(=O)/C=C/c2cncc([O-])c2)CC1 ZINC000373712570 499484578 /nfs/dbraw/zinc/48/45/78/499484578.db2.gz FBQVZHGNKNRNOJ-VOTSOKGWSA-N -1 3 362.433 3.322 20 0 FGADHM O=S(=O)([N-][C@H]1C[C@H](CO)c2ccccc21)c1ccccc1C(F)(F)F ZINC000373728680 499485267 /nfs/dbraw/zinc/48/52/67/499485267.db2.gz OYFBKEAGMQXKOY-ABAIWWIYSA-N -1 3 371.380 3.205 20 0 FGADHM O=c1[n-]nc(CN2CCC(c3nc4cc(F)ccc4s3)CC2)s1 ZINC000375350326 499509825 /nfs/dbraw/zinc/50/98/25/499509825.db2.gz VEXVWHJEJKLVDE-UHFFFAOYSA-N -1 3 350.444 3.372 20 0 FGADHM Cc1c([O-])ccc2c(CN3CC[C@@H](c4nc(C5CC5)no4)C3)cc(=O)oc12 ZINC000375465927 499522463 /nfs/dbraw/zinc/52/24/63/499522463.db2.gz RMANWLUUQBRMBE-CYBMUJFWSA-N -1 3 367.405 3.057 20 0 FGADHM CCOC(=O)c1csc(=NC[C@@H]2CCCN(Cc3ccccc3)C2)[n-]1 ZINC000386022403 499548572 /nfs/dbraw/zinc/54/85/72/499548572.db2.gz WYFRPTIIAKHDFR-INIZCTEOSA-N -1 3 359.495 3.066 20 0 FGADHM O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)c1cc(Cl)ccc1[O-] ZINC000391067460 499556649 /nfs/dbraw/zinc/55/66/49/499556649.db2.gz JWZSQRMHIVXPMU-KRWDZBQOSA-N -1 3 374.868 3.067 20 0 FGADHM CC(C)(CO)CC[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000395252772 499562463 /nfs/dbraw/zinc/56/24/63/499562463.db2.gz UVZZXUVGENSYHD-UHFFFAOYSA-N -1 3 359.797 3.046 20 0 FGADHM C[C@@]1(CNC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])CCCN1Cc1ccccc1 ZINC000397892611 499565142 /nfs/dbraw/zinc/56/51/42/499565142.db2.gz SHOOKSVBBJSJCD-LQWHRVPQSA-N -1 3 358.482 3.048 20 0 FGADHM CSc1ccc(C(=O)N[C@H](c2nc(C)no2)c2ccccc2)c([O-])c1 ZINC000375954701 499571462 /nfs/dbraw/zinc/57/14/62/499571462.db2.gz NZPXLYOZEFFCNO-INIZCTEOSA-N -1 3 355.419 3.325 20 0 FGADHM O=C([O-])[C@H]1CC12CCN(CCOc1ccc(Br)cc1)CC2 ZINC000405436240 499571591 /nfs/dbraw/zinc/57/15/91/499571591.db2.gz FLVZVDHEUNXELH-CQSZACIVSA-N -1 3 354.244 3.015 20 0 FGADHM CC(C)c1cc(C(=O)N2CCC[C@@]3(CNC(=O)C3)C2)c([O-])c(C(C)C)c1 ZINC000408080687 499575649 /nfs/dbraw/zinc/57/56/49/499575649.db2.gz SQCWYYDWCQNFRN-OAQYLSRUSA-N -1 3 358.482 3.381 20 0 FGADHM O=C(N[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1)c1csc(=O)[n-]1 ZINC000376056296 499579149 /nfs/dbraw/zinc/57/91/49/499579149.db2.gz UXRJBQAULANEAS-GFCCVEGCSA-N -1 3 369.849 3.036 20 0 FGADHM CC(C)c1ccc(C(=O)N2CC[C@@H]3[C@@H](CCC(=O)N3C3CC3)C2)c([O-])c1 ZINC000408410773 499587539 /nfs/dbraw/zinc/58/75/39/499587539.db2.gz YTMVBMUMXBKNEX-MAUKXSAKSA-N -1 3 356.466 3.131 20 0 FGADHM Cc1cc(C)cc(CS(=O)(=O)[N-]CC(=O)Nc2c(C)cc(C)cc2C)c1 ZINC000409543825 499604942 /nfs/dbraw/zinc/60/49/42/499604942.db2.gz IJZDGJWAYULQBS-UHFFFAOYSA-N -1 3 374.506 3.287 20 0 FGADHM Cc1ccc(CCS(=O)(=O)[N-]Cc2cc(-c3ccccc3)no2)cc1 ZINC000409571572 499606710 /nfs/dbraw/zinc/60/67/10/499606710.db2.gz BAXNDLQFDWOQJL-UHFFFAOYSA-N -1 3 356.447 3.312 20 0 FGADHM Cn1c2ccccc2nc1[C@H]1CCCCN1S(=O)(=O)c1ccc([O-])cc1 ZINC000579346295 506152044 /nfs/dbraw/zinc/15/20/44/506152044.db2.gz NALGKTAYUVNZRK-GOSISDBHSA-N -1 3 371.462 3.195 20 0 FGADHM Cc1nc(-c2ccc(NC(=O)N3CCOC[C@@H]3C3CCC3)cc2)cc(=O)[n-]1 ZINC000579350191 506153010 /nfs/dbraw/zinc/15/30/10/506153010.db2.gz AODANFONSUPKLP-GOSISDBHSA-N -1 3 368.437 3.190 20 0 FGADHM COc1ccc([O-])c(C(=O)Nc2nnc(Cc3cccc(F)c3)s2)c1 ZINC000410034602 499637405 /nfs/dbraw/zinc/63/74/05/499637405.db2.gz VWTAPWNUVXEARF-UHFFFAOYSA-N -1 3 359.382 3.235 20 0 FGADHM O=C(/C=C/c1cncc([O-])c1)N1CCO[C@H](c2ccc(Cl)s2)C1 ZINC000376829741 499638587 /nfs/dbraw/zinc/63/85/87/499638587.db2.gz VXVPUJIAQLCCLI-HJFNVNOESA-N -1 3 350.827 3.115 20 0 FGADHM COc1cc([C@H]2CCCN2C(=O)c2ccc(O)cc2[O-])cc(OC)c1OC ZINC000376846165 499640287 /nfs/dbraw/zinc/64/02/87/499640287.db2.gz QCPFQVSJPBGYPG-OAHLLOKOSA-N -1 3 373.405 3.101 20 0 FGADHM O=S(=O)([N-][C@H](c1ccc(Cl)cc1)[C@H]1CCOC1)c1cccs1 ZINC000376873346 499642630 /nfs/dbraw/zinc/64/26/30/499642630.db2.gz CWWDLAULLOFQAN-SWLSCSKDSA-N -1 3 357.884 3.458 20 0 FGADHM Cc1cccc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2OC(F)F)c1Cl ZINC000410172150 499646771 /nfs/dbraw/zinc/64/67/71/499646771.db2.gz AJPKFIOVYQMUFV-GHMZBOCLSA-N -1 3 353.818 3.477 20 0 FGADHM O=C([O-])[C@@H]1CCO[C@H]1C1CCN(CCCc2ccccc2Cl)CC1 ZINC000582186645 506153609 /nfs/dbraw/zinc/15/36/09/506153609.db2.gz KLZRHBIOOFDMBZ-AEFFLSMTSA-N -1 3 351.874 3.474 20 0 FGADHM Cc1cc(CN2CCC[C@@H](c3nc(C(F)(F)F)cn3C)C2)oc1C(=O)[O-] ZINC000582186585 506153829 /nfs/dbraw/zinc/15/38/29/506153829.db2.gz HCPZOIBCFXBUAS-LLVKDONJSA-N -1 3 371.359 3.418 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@H]2C[C@@H]2c2c(F)cccc2F)c1-c1ccncc1 ZINC000377067709 499658820 /nfs/dbraw/zinc/65/88/20/499658820.db2.gz OIDNSCZBFAHSOT-STQMWFEESA-N -1 3 354.360 3.222 20 0 FGADHM CCN(C(=O)[C@@H]1[C@H](C(=O)[O-])C1(C)C)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000579351795 506153877 /nfs/dbraw/zinc/15/38/77/506153877.db2.gz ALEYDEWWZQVULJ-NRSFXHEJSA-N -1 3 358.482 3.027 20 0 FGADHM C[C@@H](NC(=O)c1c[n-]c2ccccc2c1=O)c1nccn1-c1ccccc1 ZINC000377118359 499663696 /nfs/dbraw/zinc/66/36/96/499663696.db2.gz KVGYVGYWQMNART-CQSZACIVSA-N -1 3 358.401 3.205 20 0 FGADHM CCOc1cc(C(=O)[N-]c2ccc(F)cc2-c2nc(C3CC3)no2)on1 ZINC000410537508 499666601 /nfs/dbraw/zinc/66/66/01/499666601.db2.gz CZBGZDIEYOTYDF-UHFFFAOYSA-N -1 3 358.329 3.392 20 0 FGADHM COc1ccc(C[C@H](C)C(=O)N=c2[nH][n-]c(C)c2-c2ccncc2)cc1 ZINC000377361793 499683404 /nfs/dbraw/zinc/68/34/04/499683404.db2.gz HKGQWBOEYOGSPC-ZDUSSCGKSA-N -1 3 350.422 3.028 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)c2cnc(-c3ccco3)s2)c1-c1ccncc1 ZINC000377375612 499684891 /nfs/dbraw/zinc/68/48/91/499684891.db2.gz IBUAMBZDKZRTQD-UHFFFAOYSA-N -1 3 351.391 3.171 20 0 FGADHM C[C@H](NC(=O)NC1CCN(C(=O)c2cccc([O-])c2)CC1)c1cccs1 ZINC000377425025 499689472 /nfs/dbraw/zinc/68/94/72/499689472.db2.gz FKCKGSSUWWMMEQ-ZDUSSCGKSA-N -1 3 373.478 3.119 20 0 FGADHM COc1cc(NC(=O)CCc2c(C)nc(C)[n-]c2=O)cc(OC)c1Cl ZINC000411112259 499699220 /nfs/dbraw/zinc/69/92/20/499699220.db2.gz LOBGOGPDVMRKKT-UHFFFAOYSA-N -1 3 365.817 3.041 20 0 FGADHM COc1ccc(-n2c(CN[C@H](C)[C@H](C)C(=O)[O-])nc3ccccc32)cc1 ZINC000579365038 506156726 /nfs/dbraw/zinc/15/67/26/506156726.db2.gz KFFPLURZQYLLQD-UONOGXRCSA-N -1 3 353.422 3.233 20 0 FGADHM O=C(Nc1nnc(-c2ccco2)[n-]1)[C@@H]1CCCCN1Cc1ccccc1 ZINC000411287191 499722007 /nfs/dbraw/zinc/72/20/07/499722007.db2.gz ANZJDDMRPYRQMC-HNNXBMFYSA-N -1 3 351.410 3.058 20 0 FGADHM O=C(Nc1n[n-]c(-c2ccco2)n1)[C@@H]1CCCCN1Cc1ccccc1 ZINC000411287191 499722008 /nfs/dbraw/zinc/72/20/08/499722008.db2.gz ANZJDDMRPYRQMC-HNNXBMFYSA-N -1 3 351.410 3.058 20 0 FGADHM O=C(Nc1nc(-c2ccco2)n[n-]1)[C@@H]1CCCCN1Cc1ccccc1 ZINC000411287191 499722010 /nfs/dbraw/zinc/72/20/10/499722010.db2.gz ANZJDDMRPYRQMC-HNNXBMFYSA-N -1 3 351.410 3.058 20 0 FGADHM O=C(Nc1nnc(-c2ccco2)[n-]1)[C@@]1(Cc2cccc(Cl)c2)CCOC1 ZINC000411294913 499722951 /nfs/dbraw/zinc/72/29/51/499722951.db2.gz SNRUGDHLVMSOCR-GOSISDBHSA-N -1 3 372.812 3.306 20 0 FGADHM O=C(Nc1nc(-c2ccco2)n[n-]1)[C@@]1(Cc2cccc(Cl)c2)CCOC1 ZINC000411294913 499722953 /nfs/dbraw/zinc/72/29/53/499722953.db2.gz SNRUGDHLVMSOCR-GOSISDBHSA-N -1 3 372.812 3.306 20 0 FGADHM O=C(Nc1n[n-]c(-c2ccco2)n1)[C@@]1(Cc2cccc(Cl)c2)CCOC1 ZINC000411294913 499722955 /nfs/dbraw/zinc/72/29/55/499722955.db2.gz SNRUGDHLVMSOCR-GOSISDBHSA-N -1 3 372.812 3.306 20 0 FGADHM CC(=O)c1ccc(C(=O)N[C@@H](C)CCc2ccc3c(c2)OCO3)cc1[O-] ZINC000411332530 499726807 /nfs/dbraw/zinc/72/68/07/499726807.db2.gz BDSAEALYXZHYRK-LBPRGKRZSA-N -1 3 355.390 3.075 20 0 FGADHM CCOC(=O)Cc1cccc(NC(=O)[C@H]2CC[C@@H](c3ccccc3)O2)c1[O-] ZINC000377861097 499742568 /nfs/dbraw/zinc/74/25/68/499742568.db2.gz PUWJNMRPUXOXGC-ZWKOTPCHSA-N -1 3 369.417 3.357 20 0 FGADHM CC1(C)CCC[C@@H](CNC(=O)C(=O)[N-]c2nccn2-c2ccccc2)C1 ZINC000411591824 499766791 /nfs/dbraw/zinc/76/67/91/499766791.db2.gz LYOQIZGVDGZHAA-OAHLLOKOSA-N -1 3 354.454 3.143 20 0 FGADHM CCOC(=O)C[C@H](NC(=O)c1ccc(C(C)=O)c([O-])c1)c1ccc(F)cc1 ZINC000411628129 499770595 /nfs/dbraw/zinc/77/05/95/499770595.db2.gz REULZCUZZATYGT-KRWDZBQOSA-N -1 3 373.380 3.158 20 0 FGADHM O=c1nc(CN[C@H]2CCO[C@H]2C2CC2)[n-]c2scc(-c3ccco3)c21 ZINC000411651560 499773137 /nfs/dbraw/zinc/77/31/37/499773137.db2.gz SSCGQYLGEXRKOI-LRDDRELGSA-N -1 3 357.435 3.314 20 0 FGADHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N(C)C)cc2F)c(C)c1 ZINC000414399522 499786767 /nfs/dbraw/zinc/78/67/67/499786767.db2.gz TTZJYSSDGZQYKO-UHFFFAOYSA-N -1 3 364.442 3.254 20 0 FGADHM CCOc1ccc([N-]S(=O)(=O)CCOc2ccc(F)cc2)c(F)c1 ZINC000414409435 499787951 /nfs/dbraw/zinc/78/79/51/499787951.db2.gz MZBSEYHFBALMCF-UHFFFAOYSA-N -1 3 357.378 3.184 20 0 FGADHM CCOCCOc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2C)cc1 ZINC000414412393 499788595 /nfs/dbraw/zinc/78/85/95/499788595.db2.gz QTXGUQDLBAGQDO-UHFFFAOYSA-N -1 3 371.405 3.489 20 0 FGADHM CN(C)CC(C)(C)NCc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[n-]1 ZINC000411818640 499794014 /nfs/dbraw/zinc/79/40/14/499794014.db2.gz PJXCXKNLYOIXMS-UHFFFAOYSA-N -1 3 374.485 3.221 20 0 FGADHM CN(C)[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000414464824 499795365 /nfs/dbraw/zinc/79/53/65/499795365.db2.gz OSIZCKKPRCSNSW-RYUDHWBXSA-N -1 3 370.824 3.120 20 0 FGADHM CC(=O)c1ccc(C[N-]S(=O)(=O)c2cc(C)ccc2Cl)nc1C ZINC000414455014 499794300 /nfs/dbraw/zinc/79/43/00/499794300.db2.gz BVZFOBXWUBRKMO-UHFFFAOYSA-N -1 3 352.843 3.033 20 0 FGADHM CCOc1cc(CN2CCC[C@H](CO)[C@H]2C)cc(Br)c1[O-] ZINC000414572213 499810880 /nfs/dbraw/zinc/81/08/80/499810880.db2.gz LDFQCQQLAAFCHC-DGCLKSJQSA-N -1 3 358.276 3.146 20 0 FGADHM CC(C)(C)CC(C)(C)N1CCN(C(=O)NCCCCCC(=O)[O-])CC1 ZINC000414620280 499814481 /nfs/dbraw/zinc/81/44/81/499814481.db2.gz CWMMOFPWCDUUQM-UHFFFAOYSA-N -1 3 355.523 3.173 20 0 FGADHM CC(C)[C@H](C(=O)[O-])N1CC[C@@H](NCc2ccc(C3CCCC3)cc2)C1=O ZINC000414660104 499818107 /nfs/dbraw/zinc/81/81/07/499818107.db2.gz ORLZKSNEAAWGHT-RTBURBONSA-N -1 3 358.482 3.144 20 0 FGADHM O=C([O-])[C@H](c1ccccc1)N1CC[C@H](NCc2ccc(C3CC3)cc2)C1=O ZINC000414664164 499818306 /nfs/dbraw/zinc/81/83/06/499818306.db2.gz SOQPWOWSUPJHFN-PMACEKPBSA-N -1 3 364.445 3.080 20 0 FGADHM CCCc1cccc(CN[C@@H]2CCN([C@@H](C(=O)[O-])c3ccccc3)C2=O)c1 ZINC000414663291 499818440 /nfs/dbraw/zinc/81/84/40/499818440.db2.gz SCOYHAAJGTXJHG-WOJBJXKFSA-N -1 3 366.461 3.156 20 0 FGADHM CC(C)N1CCc2nc(CN3[C@@H]4CCCC[C@@H]4C[C@H]3C(=O)[O-])sc2C1 ZINC000414675409 499819830 /nfs/dbraw/zinc/81/98/30/499819830.db2.gz GGVSDXNXKWMACV-BMFZPTHFSA-N -1 3 363.527 3.127 20 0 FGADHM CC(=O)c1ccc(C(=O)N(CCc2ccccc2)[C@H]2CCOC2)cc1[O-] ZINC000412197298 499832922 /nfs/dbraw/zinc/83/29/22/499832922.db2.gz VFJIBOYLGBCBMJ-SFHVURJKSA-N -1 3 353.418 3.069 20 0 FGADHM COc1ccccc1C1(CNC(=O)c2ccc(C(C)=O)c([O-])c2)CCC1 ZINC000412250379 499838094 /nfs/dbraw/zinc/83/80/94/499838094.db2.gz OCVBSMOQOQBFNS-UHFFFAOYSA-N -1 3 353.418 3.455 20 0 FGADHM CC(=O)c1ccc(C(=O)N2CCC(CO)(Cc3ccccc3)CC2)cc1[O-] ZINC000412289942 499841610 /nfs/dbraw/zinc/84/16/10/499841610.db2.gz IJKLMISXHJTQGJ-UHFFFAOYSA-N -1 3 367.445 3.052 20 0 FGADHM CC(=O)c1ccc(C(=O)N2CCn3c(C4CCCC4)nnc3[C@H]2C)cc1[O-] ZINC000412336580 499846069 /nfs/dbraw/zinc/84/60/69/499846069.db2.gz KALNVIGUCHACQI-GFCCVEGCSA-N -1 3 368.437 3.061 20 0 FGADHM Cc1cccc2c(=O)c(C(=O)N3CC[C@@](C)(C(=O)OC(C)(C)C)C3)c[n-]c12 ZINC000412416783 499852953 /nfs/dbraw/zinc/85/29/53/499852953.db2.gz DUJFKIXSNBSBFK-OAQYLSRUSA-N -1 3 370.449 3.030 20 0 FGADHM CC(C)(CNC(=O)Cc1ccc(Br)cc1[O-])OCC1CC1 ZINC000412633242 499870959 /nfs/dbraw/zinc/87/09/59/499870959.db2.gz WOVKVUFWVKJFPD-UHFFFAOYSA-N -1 3 356.260 3.019 20 0 FGADHM Cn1c(COc2ccccc2)nnc1SCc1cc(=O)[n-]c(C2CC2)n1 ZINC000413005057 499903850 /nfs/dbraw/zinc/90/38/50/499903850.db2.gz YHMQJBXDIPVKFU-UHFFFAOYSA-N -1 3 369.450 3.059 20 0 FGADHM CCOC(=O)c1cc(C(F)(F)F)sc1[N-]C(=O)c1snnc1C ZINC000415717425 499914544 /nfs/dbraw/zinc/91/45/44/499914544.db2.gz DVJMWBVMUSOYLY-UHFFFAOYSA-N -1 3 365.358 3.356 20 0 FGADHM O=C(NCc1ccc([O-])c(Br)c1)N[C@@H]1C[C@H]1c1ccco1 ZINC000413384045 499947499 /nfs/dbraw/zinc/94/74/99/499947499.db2.gz DFZDDMLQDFOMRE-ZYHUDNBSSA-N -1 3 351.200 3.103 20 0 FGADHM Cc1ccc(NCc2cc(=O)[n-]c(C3CC3)n2)cc1C(=O)N(C)C(C)C ZINC000417036432 499954053 /nfs/dbraw/zinc/95/40/53/499954053.db2.gz UDPUNBNGNDDROT-UHFFFAOYSA-N -1 3 354.454 3.461 20 0 FGADHM CCOc1nc2cc(C(=O)NCC(=O)C3CCC(F)(F)CC3)ccc2[n-]1 ZINC000424895034 499965559 /nfs/dbraw/zinc/96/55/59/499965559.db2.gz KJQVIPLUXLWXCN-UHFFFAOYSA-N -1 3 365.380 3.086 20 0 FGADHM CCOc1nc2ccc(C(=O)NCC(=O)C3CCC(F)(F)CC3)cc2[n-]1 ZINC000424895034 499965562 /nfs/dbraw/zinc/96/55/62/499965562.db2.gz KJQVIPLUXLWXCN-UHFFFAOYSA-N -1 3 365.380 3.086 20 0 FGADHM CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1cccc(C(=O)NC(C)(C)C)c1 ZINC000421150231 499972575 /nfs/dbraw/zinc/97/25/75/499972575.db2.gz HCEPGZJQNYWESD-INIZCTEOSA-N -1 3 370.515 3.018 20 0 FGADHM CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1ccc(NC(C)=O)cc1Cl ZINC000421148625 499972915 /nfs/dbraw/zinc/97/29/15/499972915.db2.gz GXNVSCKCVQKVBH-CYBMUJFWSA-N -1 3 362.879 3.101 20 0 FGADHM O=S(=O)([N-][C@H]1CC[C@@H](F)C1)c1cnc2onc(-c3ccccc3)c2c1 ZINC000579412192 506167937 /nfs/dbraw/zinc/16/79/37/506167937.db2.gz KCGUEFWPZCVLJR-OLZOCXBDSA-N -1 3 361.398 3.059 20 0 FGADHM CCOCc1cccc([N-]S(=O)(=O)C[C@@H](Cc2ccccc2)OC)c1 ZINC000421157341 499974836 /nfs/dbraw/zinc/97/48/36/499974836.db2.gz RPDPNOUONJPIBL-LJQANCHMSA-N -1 3 363.479 3.223 20 0 FGADHM CC[C@H](CS(=O)(=O)[N-]c1ccc(NC(=O)c2ccco2)c(C)c1)OC ZINC000421156624 499975075 /nfs/dbraw/zinc/97/50/75/499975075.db2.gz QKAOZEWQECQVKI-CQSZACIVSA-N -1 3 366.439 3.007 20 0 FGADHM CC[C@@H](CS(=O)(=O)[N-]c1ccc(NC(=O)c2ccco2)c(C)c1)OC ZINC000421156623 499975158 /nfs/dbraw/zinc/97/51/58/499975158.db2.gz QKAOZEWQECQVKI-AWEZNQCLSA-N -1 3 366.439 3.007 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(N3C[C@@H](O)C[C@@H]3c3ccccc3)nc2)n1 ZINC000413514894 499977006 /nfs/dbraw/zinc/97/70/06/499977006.db2.gz ZPUJEGKVBSQREL-ZWKOTPCHSA-N -1 3 362.433 3.119 20 0 FGADHM C[C@@H]1CC[C@H](C(=O)[O-])[C@H](C)N1CCOc1ccccc1Br ZINC000576480027 506168236 /nfs/dbraw/zinc/16/82/36/506168236.db2.gz LDZHOEGUCOMVNK-AGIUHOORSA-N -1 3 356.260 3.402 20 0 FGADHM CC[C@H](CS(=O)(=O)[N-]c1c(F)ccc(C)c1Br)OC ZINC000421167890 499980489 /nfs/dbraw/zinc/98/04/89/499980489.db2.gz WBNLOGKFAIMRPH-SECBINFHSA-N -1 3 354.241 3.063 20 0 FGADHM CC[C@H](CS(=O)(=O)[N-]c1cccc(-c2ncc3n2CCCC3)c1)OC ZINC000421236586 499998987 /nfs/dbraw/zinc/99/89/87/499998987.db2.gz AITTVGJGXIPJBF-QGZVFWFLSA-N -1 3 363.483 3.053 20 0 FGADHM Cc1nc(C)c(CC(=O)Nc2cc(Cl)ccc2OC(F)F)c(=O)[n-]1 ZINC000425045621 500004196 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Cc1cc(Oc2ncccn2)ccc1NC(=O)c1cc(F)cc2nn[n-]c21 ZINC000433303327 500667019 /nfs/dbraw/zinc/66/70/19/500667019.db2.gz KXJWZZBQWSJZLV-UHFFFAOYSA-N -1 3 364.340 3.240 20 0 FGADHM Cc1cc(Oc2ncccn2)ccc1NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000433303327 500667023 /nfs/dbraw/zinc/66/70/23/500667023.db2.gz KXJWZZBQWSJZLV-UHFFFAOYSA-N -1 3 364.340 3.240 20 0 FGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H]1CCCC[C@H]1C(C)C ZINC000443075398 500675497 /nfs/dbraw/zinc/67/54/97/500675497.db2.gz UXJPKNIIAUNGFS-JSGCOSHPSA-N -1 3 357.447 3.105 20 0 FGADHM O=S(=O)([N-]CCc1ccc2[nH]ccc2c1)c1ccc(F)cc1Cl ZINC000443101589 500679858 /nfs/dbraw/zinc/67/98/58/500679858.db2.gz LLEWNCQYGUWBEF-UHFFFAOYSA-N -1 3 352.818 3.481 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N[C@@H](C)CC(=O)c3ccccc3)c[n-]c12 ZINC000433359307 500680581 /nfs/dbraw/zinc/68/05/81/500680581.db2.gz ANPSTSMKBBKEBC-ZDUSSCGKSA-N -1 3 366.392 3.367 20 0 FGADHM O=C1C[C@@H]([N-]S(=O)(=O)c2ccc(OC(F)F)c(F)c2)c2ccccc21 ZINC000447868313 500681360 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QTWXOSAOFXZJLJ-UHFFFAOYSA-N -1 3 355.463 3.406 20 0 FGADHM CC1(C)CC[C@@H](C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2F)O1 ZINC000444210313 500818351 /nfs/dbraw/zinc/81/83/51/500818351.db2.gz GPUVQKQZKANDHG-JTQLQIEISA-N -1 3 355.353 3.080 20 0 FGADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@H]1CC[C@@H](C)C1 ZINC000444214432 500818893 /nfs/dbraw/zinc/81/88/93/500818893.db2.gz PNZQNCWTCGNEIR-MNOVXSKESA-N -1 3 353.465 3.155 20 0 FGADHM CC[C@@H]1CCC[C@@H]1C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000448750358 500823142 /nfs/dbraw/zinc/82/31/42/500823142.db2.gz MBKRLZWLBKDMSX-OCCSQVGLSA-N -1 3 354.472 3.222 20 0 FGADHM COc1ccc(-c2ncc(C(=O)Nc3ncccc3[O-])s2)cc1OC ZINC000444368567 500841075 /nfs/dbraw/zinc/84/10/75/500841075.db2.gz NKMGXAJYZWRPNI-UHFFFAOYSA-N -1 3 357.391 3.180 20 0 FGADHM C[C@H](NCc1cc(Cl)ccc1I)[C@H](C)C(=O)[O-] ZINC000596022780 506219985 /nfs/dbraw/zinc/21/99/85/506219985.db2.gz WQHQDFYIEDAYID-YUMQZZPRSA-N -1 3 367.614 3.143 20 0 FGADHM O=C(NC[C@]1(O)CCC[C@H](C(F)(F)F)C1)c1cc2c(cc1[O-])CCCC2 ZINC000444477779 500852158 /nfs/dbraw/zinc/85/21/58/500852158.db2.gz OXPZVUPTLBKUDS-KSSFIOAISA-N -1 3 371.399 3.484 20 0 FGADHM Cc1ccn(C2CCN(Cc3nc4c5ccccc5oc4c(=O)[n-]3)CC2)n1 ZINC000434510288 500853989 /nfs/dbraw/zinc/85/39/89/500853989.db2.gz WJMTUJSYVLDADI-UHFFFAOYSA-N -1 3 363.421 3.424 20 0 FGADHM CC(C)OCCC(=O)Nc1n[n-]c(-c2ccc(Br)cc2F)n1 ZINC000439246368 500874737 /nfs/dbraw/zinc/87/47/37/500874737.db2.gz MGEZBWANWWYRLB-UHFFFAOYSA-N -1 3 371.210 3.127 20 0 FGADHM Cn1cccc([N-]C(=O)c2c(F)ccc(SCC3CC3)c2F)c1=O ZINC000448959936 500881141 /nfs/dbraw/zinc/88/11/41/500881141.db2.gz BBSIUCOBIYIFBD-UHFFFAOYSA-N -1 3 350.390 3.418 20 0 FGADHM CCOC(=O)c1nc(C2CCN(Cc3ccc(Cl)cc3F)CC2)n[n-]1 ZINC000444796257 500903159 /nfs/dbraw/zinc/90/31/59/500903159.db2.gz BJGFVCYYNUWRJU-UHFFFAOYSA-N -1 3 366.824 3.154 20 0 FGADHM CCOC(=O)c1nnc(C2CCN(Cc3ccc(Cl)cc3F)CC2)[n-]1 ZINC000444796257 500903162 /nfs/dbraw/zinc/90/31/62/500903162.db2.gz BJGFVCYYNUWRJU-UHFFFAOYSA-N -1 3 366.824 3.154 20 0 FGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)C(C)C)cc1F ZINC000444872080 500914874 /nfs/dbraw/zinc/91/48/74/500914874.db2.gz MBCPUQVRRJAQQU-KRWDZBQOSA-N -1 3 365.426 3.288 20 0 FGADHM CC[C@@H](C[N-]S(=O)(=O)c1ccc(C(=O)OC)c(F)c1)c1ccccc1 ZINC000444872544 500914910 /nfs/dbraw/zinc/91/49/10/500914910.db2.gz NTYCNOKSWKDLMX-ZDUSSCGKSA-N -1 3 365.426 3.084 20 0 FGADHM C[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000434958704 500916223 /nfs/dbraw/zinc/91/62/23/500916223.db2.gz OTYPBPCBBBZHIF-JOYOIKCWSA-N -1 3 350.253 3.445 20 0 FGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCCc3sccc32)cc1F ZINC000445040062 500936117 /nfs/dbraw/zinc/93/61/17/500936117.db2.gz UWFSUVIPYWVGCM-CQSZACIVSA-N -1 3 369.439 3.030 20 0 FGADHM COC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)c2cccc(C)c2)cc1F ZINC000445043415 500936420 /nfs/dbraw/zinc/93/64/20/500936420.db2.gz XDKAQMKEFLTGKU-UHFFFAOYSA-N -1 3 365.426 3.134 20 0 FGADHM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2c(C)cc(C)cc2C)cc1F ZINC000445057464 500938997 /nfs/dbraw/zinc/93/89/97/500938997.db2.gz HVYJRPKHXBVWGD-UHFFFAOYSA-N -1 3 365.426 3.016 20 0 FGADHM C[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(F)ccc2Br)C1 ZINC000435207909 500944183 /nfs/dbraw/zinc/94/41/83/500944183.db2.gz OLHULCZMDOTOMY-ONGXEEELSA-N -1 3 350.253 3.445 20 0 FGADHM Cc1ccc([O-])c(-c2nc(CC(=O)Nc3cccc4ncccc43)no2)c1 ZINC000445278063 500964425 /nfs/dbraw/zinc/96/44/25/500964425.db2.gz BRRPCDBRVIXIGF-UHFFFAOYSA-N -1 3 360.373 3.480 20 0 FGADHM CCOc1cc(-c2noc(CCn3cnc4ccccc43)n2)ccc1[O-] ZINC000445428181 500983643 /nfs/dbraw/zinc/98/36/43/500983643.db2.gz UXZRZCBNUWWSII-UHFFFAOYSA-N -1 3 350.378 3.433 20 0 FGADHM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CC(C)(C)O3)cc1 ZINC000440281243 500993806 /nfs/dbraw/zinc/99/38/06/500993806.db2.gz JOEKXOSMLRHUNH-UHFFFAOYSA-N -1 3 360.435 3.159 20 0 FGADHM CCc1ccnc(C[N-]S(=O)(=O)c2ccc(Br)cc2F)c1 ZINC000435650318 501006564 /nfs/dbraw/zinc/00/65/64/501006564.db2.gz FVOHBWXXRNAROK-UHFFFAOYSA-N -1 3 373.247 3.024 20 0 FGADHM Cc1ccc(-c2cc(C(=O)Nc3cccc(-c4nnn[n-]4)c3)n[nH]2)cc1C ZINC000435880600 501040853 /nfs/dbraw/zinc/04/08/53/501040853.db2.gz KDFXVRBHSREJRM-UHFFFAOYSA-N -1 3 359.393 3.126 20 0 FGADHM Cc1ccc(-c2cc(C(=O)Nc3cccc(-c4nn[n-]n4)c3)n[nH]2)cc1C ZINC000435880600 501040854 /nfs/dbraw/zinc/04/08/54/501040854.db2.gz KDFXVRBHSREJRM-UHFFFAOYSA-N -1 3 359.393 3.126 20 0 FGADHM Cc1sc(NC(=O)c2nc[n-]n2)nc1-c1ccc(OC(F)F)cc1 ZINC000435937354 501048738 /nfs/dbraw/zinc/04/87/38/501048738.db2.gz INGSINOLGGAPIA-UHFFFAOYSA-N -1 3 351.338 3.090 20 0 FGADHM C[S@](=O)c1ccc(CC(=O)Nc2cc(Br)ccc2[O-])cc1 ZINC000436144808 501077511 /nfs/dbraw/zinc/07/75/11/501077511.db2.gz DMBGVTDHAUNFJY-NRFANRHFSA-N -1 3 368.252 3.073 20 0 FGADHM COC[C@@H]1CCCN(Cc2ccc(OC)c([O-])c2Br)CC1 ZINC000449775332 501083780 /nfs/dbraw/zinc/08/37/80/501083780.db2.gz MDUCMDKGFNROOK-GFCCVEGCSA-N -1 3 358.276 3.412 20 0 FGADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)[C@H]2CCC[C@H](OC)C2)[nH][n-]1 ZINC000449841373 501104310 /nfs/dbraw/zinc/10/43/10/501104310.db2.gz UZKUPELLZJRXSF-AAEUAGOBSA-N -1 3 363.845 3.304 20 0 FGADHM CCOCCN1CCN(C(=O)CCc2ccc3ccccc3c2[O-])C[C@@H]1C ZINC000449880755 501116209 /nfs/dbraw/zinc/11/62/09/501116209.db2.gz ATXWHWJHTZVNNB-KRWDZBQOSA-N -1 3 370.493 3.047 20 0 FGADHM CCCN(C(=O)c1cc(OC)c([O-])c(OC)c1)[C@H]1C[C@@H](OCC)C1(C)C ZINC000436523284 501147376 /nfs/dbraw/zinc/14/73/76/501147376.db2.gz RTIKVELLPXIOSF-DLBZAZTESA-N -1 3 365.470 3.465 20 0 FGADHM CCOc1ccccc1CN1CCN(C(=O)c2ccccc2[O-])[C@H](C)C1 ZINC000436522442 501147459 /nfs/dbraw/zinc/14/74/59/501147459.db2.gz ULRPSBHKCNCGGM-MRXNPFEDSA-N -1 3 354.450 3.137 20 0 FGADHM COC(=O)[C@@H](c1ccccc1)N(C)C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436526811 501148253 /nfs/dbraw/zinc/14/82/53/501148253.db2.gz FIABWIAECNCRMU-MRXNPFEDSA-N -1 3 369.417 3.092 20 0 FGADHM CCSc1cccc(NC(=O)NCCNC(=O)c2ccc([O-])cc2)c1 ZINC000436539256 501151198 /nfs/dbraw/zinc/15/11/98/501151198.db2.gz NAMHXLBWNFTTKL-UHFFFAOYSA-N -1 3 359.451 3.056 20 0 FGADHM COC(=O)[C@H](C)CN(Cc1ccccc1)C(=O)c1ccc(C)c(C)c1[O-] ZINC000436536818 501151287 /nfs/dbraw/zinc/15/12/87/501151287.db2.gz CRTFSAIVDHFROF-OAHLLOKOSA-N -1 3 355.434 3.461 20 0 FGADHM CCn1cc(CNC(=O)c2cc(OCc3ccccc3)ccc2[O-])cn1 ZINC000436542590 501151496 /nfs/dbraw/zinc/15/14/96/501151496.db2.gz AEMAPGIQACUQQS-UHFFFAOYSA-N -1 3 351.406 3.118 20 0 FGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)[C@@H]2C[C@@]2(C)c2ccccc2)c1 ZINC000450004434 501151887 /nfs/dbraw/zinc/15/18/87/501151887.db2.gz QXHJOWFIWCTZAT-KXBFYZLASA-N -1 3 358.463 3.283 20 0 FGADHM Cc1nc2c(c(=O)[nH]n2C)c(C)c1CNC(=O)c1ccc(C(C)C)cc1[O-] ZINC000436549177 501154192 /nfs/dbraw/zinc/15/41/92/501154192.db2.gz TYAHNWMNSCXIIE-UHFFFAOYSA-N -1 3 368.437 3.050 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C)c([O-])c1 ZINC000436549700 501154537 /nfs/dbraw/zinc/15/45/37/501154537.db2.gz VLNNETYNSKJYML-JSGCOSHPSA-N -1 3 372.387 3.010 20 0 FGADHM CCCN(C[C@H]1COc2ccccc2O1)C(=O)c1ccc(OC)cc1[O-] ZINC000436553163 501155177 /nfs/dbraw/zinc/15/51/77/501155177.db2.gz DQMFUICWVLCTDW-HNNXBMFYSA-N -1 3 357.406 3.093 20 0 FGADHM CC(=O)c1ccc(C(=O)NCc2ccc(NC(=O)C(C)C)cc2)cc1[O-] ZINC000436555175 501155781 /nfs/dbraw/zinc/15/57/81/501155781.db2.gz JXRQWLZDLAOHSC-UHFFFAOYSA-N -1 3 354.406 3.119 20 0 FGADHM CC1(C)Cc2ccc(C(=O)NCCCCNc3ccccn3)c([O-])c2O1 ZINC000436562628 501157763 /nfs/dbraw/zinc/15/77/63/501157763.db2.gz LBPYXHDCUOQGDK-UHFFFAOYSA-N -1 3 355.438 3.123 20 0 FGADHM COc1cc(OC)cc(N2CC[C@H](NC(=O)c3ccc(C)c(C)c3[O-])C2)c1 ZINC000436573319 501160329 /nfs/dbraw/zinc/16/03/29/501160329.db2.gz HBLXLVKQKYZHRU-HNNXBMFYSA-N -1 3 370.449 3.035 20 0 FGADHM CC1(C)Cc2ccc(C(=O)NCc3nc4cc(F)ccc4[nH]3)c([O-])c2O1 ZINC000436577839 501161085 /nfs/dbraw/zinc/16/10/85/501161085.db2.gz VTTZISARXVAIDN-UHFFFAOYSA-N -1 3 355.369 3.051 20 0 FGADHM O=C(N[C@H]1CCN(C(=O)C2CCCCC2)C1)c1cc2c(cc1[O-])CCCC2 ZINC000436581412 501161919 /nfs/dbraw/zinc/16/19/19/501161919.db2.gz ZVZWRWGYTFAEHY-SFHVURJKSA-N -1 3 370.493 3.182 20 0 FGADHM CCOC(=O)c1sc([C@@H](C)NC(=O)c2ccc(C)c(C)c2[O-])nc1C ZINC000436582811 501162111 /nfs/dbraw/zinc/16/21/11/501162111.db2.gz CFAAZNIVTPFRBR-GFCCVEGCSA-N -1 3 362.451 3.442 20 0 FGADHM O=C(NCCSCCCO)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436582141 501162383 /nfs/dbraw/zinc/16/23/83/501162383.db2.gz HIJZZSRXYLXETQ-UHFFFAOYSA-N -1 3 359.491 3.023 20 0 FGADHM CC(C)c1nnc2ccc([N-]S(=O)(=O)Cc3ccccc3Cl)cn21 ZINC000446772177 501163302 /nfs/dbraw/zinc/16/33/02/501163302.db2.gz DUNKRRZOIFRXFP-UHFFFAOYSA-N -1 3 364.858 3.448 20 0 FGADHM NC(=O)c1ccc(CNC(=O)c2cc(Cc3ccccc3)ccc2[O-])cc1 ZINC000436594766 501165672 /nfs/dbraw/zinc/16/56/72/501165672.db2.gz IWCMKXXEMYJNJW-UHFFFAOYSA-N -1 3 360.413 3.012 20 0 FGADHM NC(=O)c1ccc(CNC(=O)c2cc(CCc3ccccc3)ccc2[O-])cc1 ZINC000436593444 501165767 /nfs/dbraw/zinc/16/57/67/501165767.db2.gz DNZDBUWYCJTXPW-UHFFFAOYSA-N -1 3 374.440 3.206 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N[C@H](C)COc3cccc(F)c3)c[n-]c12 ZINC000607720120 506237846 /nfs/dbraw/zinc/23/78/46/506237846.db2.gz WJGQSURUCFWSTG-GFCCVEGCSA-N -1 3 372.371 3.312 20 0 FGADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)NC3(C(C)C)CC3)cs2)c1 ZINC000436601694 501167701 /nfs/dbraw/zinc/16/77/01/501167701.db2.gz CXXYJOFJTKRDIR-UHFFFAOYSA-N -1 3 373.478 3.257 20 0 FGADHM CC[C@@H](C)NC(=O)[C@H](C)NC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436612192 501170136 /nfs/dbraw/zinc/17/01/36/501170136.db2.gz LYELBFKIYPPWNJ-CVEARBPZSA-N -1 3 368.477 3.210 20 0 FGADHM C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436632053 501173468 /nfs/dbraw/zinc/17/34/68/501173468.db2.gz BQQZICPJCJXIIM-YJBOKZPZSA-N -1 3 373.497 3.074 20 0 FGADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1cc(F)c(F)cc1Br ZINC000441815791 501174959 /nfs/dbraw/zinc/17/49/59/501174959.db2.gz RJSWGUGBNPHFEZ-UHFFFAOYSA-N -1 3 371.063 3.117 20 0 FGADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1cc(F)c(F)cc1Br ZINC000441815791 501174962 /nfs/dbraw/zinc/17/49/62/501174962.db2.gz RJSWGUGBNPHFEZ-UHFFFAOYSA-N -1 3 371.063 3.117 20 0 FGADHM COc1ccc(Br)cc1CN(C)C(=O)c1c([O-])cccc1O ZINC000436637597 501175324 /nfs/dbraw/zinc/17/53/24/501175324.db2.gz XEAPJNPUGHPOIB-UHFFFAOYSA-N -1 3 366.211 3.141 20 0 FGADHM CCS[C@@H]1CCC[C@@H](NC(=O)CCNC(=O)c2ccc(C)cc2[O-])C1 ZINC000436641362 501176670 /nfs/dbraw/zinc/17/66/70/501176670.db2.gz VBKQNEFWDGIVCP-HUUCEWRRSA-N -1 3 364.511 3.001 20 0 FGADHM O=C(NCc1cccc(NC(=O)c2ccccc2)c1)c1c([O-])cccc1O ZINC000436649645 501179149 /nfs/dbraw/zinc/17/91/49/501179149.db2.gz WHEHXIDUMCLHIZ-UHFFFAOYSA-N -1 3 362.385 3.280 20 0 FGADHM Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)c2ccc(O)cc2[O-])C1 ZINC000436663281 501182222 /nfs/dbraw/zinc/18/22/22/501182222.db2.gz GMYRDXFPDNZACV-CYBMUJFWSA-N -1 3 360.841 3.316 20 0 FGADHM O=C(NC[C@@H](c1cccc(Cl)c1)N1CCCC1)c1c([O-])cccc1O ZINC000436674598 501185412 /nfs/dbraw/zinc/18/54/12/501185412.db2.gz VRSKTZCXXIIGNS-HNNXBMFYSA-N -1 3 360.841 3.318 20 0 FGADHM CCOc1cccc([C@H]2C[C@H]2NC(=O)c2cc(NC(C)=O)ccc2[O-])c1 ZINC000436695316 501190966 /nfs/dbraw/zinc/19/09/66/501190966.db2.gz DDEPTMAOFVVFPS-SJLPKXTDSA-N -1 3 354.406 3.035 20 0 FGADHM O=C(N[C@H](CO)CC(F)(F)F)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436701450 501191820 /nfs/dbraw/zinc/19/18/20/501191820.db2.gz AMFQNTJNDVDCKF-ZDUSSCGKSA-N -1 3 369.339 3.014 20 0 FGADHM CCOc1nc2cc(C(=O)N[C@H]3CCc4cn(C(C)C)nc4C3)ccc2[n-]1 ZINC000450141621 501191842 /nfs/dbraw/zinc/19/18/42/501191842.db2.gz JUKDBZBUSXBPJY-HNNXBMFYSA-N -1 3 367.453 3.026 20 0 FGADHM CCOc1nc2ccc(C(=O)N[C@H]3CCc4cn(C(C)C)nc4C3)cc2[n-]1 ZINC000450141621 501191845 /nfs/dbraw/zinc/19/18/45/501191845.db2.gz JUKDBZBUSXBPJY-HNNXBMFYSA-N -1 3 367.453 3.026 20 0 FGADHM Cc1cccc(C(=O)NCCc2nc(-c3ccc(Cl)cc3)n[nH]2)c1[O-] ZINC000436707823 501193096 /nfs/dbraw/zinc/19/30/96/501193096.db2.gz HLCFMVJPZSGUQD-UHFFFAOYSA-N -1 3 356.813 3.112 20 0 FGADHM COc1ccc(Cl)cc1N1CC[C@H](NC(=O)c2cc(C)ccc2[O-])C1 ZINC000436708261 501193211 /nfs/dbraw/zinc/19/32/11/501193211.db2.gz IVDOQJZOXMAGPX-AWEZNQCLSA-N -1 3 360.841 3.371 20 0 FGADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)c1ccc(C(F)F)cc1 ZINC000436712711 501194583 /nfs/dbraw/zinc/19/45/83/501194583.db2.gz BTBJBGOFVAIULM-UHFFFAOYSA-N -1 3 374.387 3.364 20 0 FGADHM CN(CCCN(C)C(=O)c1cc2c(cc1[O-])CCCC2)Cc1ccco1 ZINC000436712262 501194731 /nfs/dbraw/zinc/19/47/31/501194731.db2.gz NFBYDFWJGMPQIS-UHFFFAOYSA-N -1 3 356.466 3.458 20 0 FGADHM COc1ccc(C(=O)N[C@H](c2nccn2C)c2ccc(Cl)cc2)c([O-])c1 ZINC000436715943 501195293 /nfs/dbraw/zinc/19/52/93/501195293.db2.gz MZFGOCYASFXXTI-KRWDZBQOSA-N -1 3 371.824 3.307 20 0 FGADHM CCOC(=O)c1c(C(C)C)csc1[N-]C(=O)C(=O)N1[C@H](C)CC[C@H]1C ZINC000442079266 501196071 /nfs/dbraw/zinc/19/60/71/501196071.db2.gz LBIXKOUDLWBTPH-VXGBXAGGSA-N -1 3 366.483 3.386 20 0 FGADHM Cc1ccsc1CN(C)C(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436718848 501196620 /nfs/dbraw/zinc/19/66/20/501196620.db2.gz XNYJDLLNGBLZKC-HNNXBMFYSA-N -1 3 358.463 3.025 20 0 FGADHM COC(=O)CN(C(=O)CCc1ccc2ccccc2c1[O-])C1CCCC1 ZINC000450174010 501200815 /nfs/dbraw/zinc/20/08/15/501200815.db2.gz LEIAZBMDQQUXJH-UHFFFAOYSA-N -1 3 355.434 3.422 20 0 FGADHM Cc1ccc([O-])c(CNCc2cnn(-c3ccc(Br)cc3)c2)n1 ZINC000447079771 501201944 /nfs/dbraw/zinc/20/19/44/501201944.db2.gz XMGRXMYSZUBEEB-UHFFFAOYSA-N -1 3 373.254 3.334 20 0 FGADHM CC[C@@H](C)c1nc([C@H](C)NC(=O)c2ccc(Br)cc2[O-])n[nH]1 ZINC000436742927 501202187 /nfs/dbraw/zinc/20/21/87/501202187.db2.gz YTPGNQFSLOVPCW-BDAKNGLRSA-N -1 3 367.247 3.277 20 0 FGADHM CCc1ccc(C(=O)N[C@H](C)C2CCN(CC(F)(F)F)CC2)c([O-])c1 ZINC000436741979 501202289 /nfs/dbraw/zinc/20/22/89/501202289.db2.gz WJJNUKNDULNRDM-GFCCVEGCSA-N -1 3 358.404 3.347 20 0 FGADHM COC(=O)c1ccc2[nH]c(CNC(=O)c3ccc(C(C)C)cc3[O-])nc2c1 ZINC000436752876 501204423 /nfs/dbraw/zinc/20/44/23/501204423.db2.gz ZFDKDASUUYCFET-UHFFFAOYSA-N -1 3 367.405 3.109 20 0 FGADHM Cc1cccc(C(=O)NC[C@@H](c2ccccc2Cl)N2CCOCC2)c1[O-] ZINC000436759464 501206073 /nfs/dbraw/zinc/20/60/73/501206073.db2.gz BNELKXZRIUJQIV-SFHVURJKSA-N -1 3 374.868 3.157 20 0 FGADHM Cc1ccc(C(=O)N[C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)c([O-])c1C ZINC000436774566 501209316 /nfs/dbraw/zinc/20/93/16/501209316.db2.gz TUIDEKZFCKESEN-CYBMUJFWSA-N -1 3 372.387 3.072 20 0 FGADHM COc1cc(-c2noc(-c3ccn(-c4ccc(F)cc4)n3)n2)ccc1[O-] ZINC000436783241 501210549 /nfs/dbraw/zinc/21/05/49/501210549.db2.gz GEEXYGJCYVMWKM-UHFFFAOYSA-N -1 3 352.325 3.443 20 0 FGADHM Cc1ccc(C(=O)NC[C@@H](c2cccc(Cl)c2)N2CCOCC2)c([O-])c1 ZINC000436796118 501212522 /nfs/dbraw/zinc/21/25/22/501212522.db2.gz UHKQPXZMXMLRLR-SFHVURJKSA-N -1 3 374.868 3.157 20 0 FGADHM C[C@H](NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2)c1nc2ccccc2n1C ZINC000436799365 501213233 /nfs/dbraw/zinc/21/32/33/501213233.db2.gz PJXBNCOAFHKLPQ-LBPRGKRZSA-N -1 3 365.433 3.483 20 0 FGADHM COc1cc2c(cc1F)CN(C(=O)c1ccc3c(c1[O-])OC(C)(C)C3)CC2 ZINC000436816582 501215899 /nfs/dbraw/zinc/21/58/99/501215899.db2.gz OZSGYQWXPTZQDJ-UHFFFAOYSA-N -1 3 371.408 3.452 20 0 FGADHM O=C(N[C@@H](CCO)c1ccco1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436819782 501216568 /nfs/dbraw/zinc/21/65/68/501216568.db2.gz JRTHSGSKLSWRCK-SFHVURJKSA-N -1 3 351.402 3.430 20 0 FGADHM CCOC(=O)[C@H](CC)N(C(=O)c1ccc2c(c1[O-])OC(C)(C)C2)C1CC1 ZINC000436829323 501218057 /nfs/dbraw/zinc/21/80/57/501218057.db2.gz BAPFDROOQCAKOJ-HNNXBMFYSA-N -1 3 361.438 3.052 20 0 FGADHM CCc1ccc(C(=O)N[C@@H](c2ccn(C)n2)c2ccc(F)cc2)c([O-])c1 ZINC000436839628 501219733 /nfs/dbraw/zinc/21/97/33/501219733.db2.gz ONCUFTFNJMPCGI-LJQANCHMSA-N -1 3 353.397 3.347 20 0 FGADHM COC(=O)[C@H]1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])[C@H]1C ZINC000436866441 501224210 /nfs/dbraw/zinc/22/42/10/501224210.db2.gz XQFPHEMLBFUZQX-YOEHRIQHSA-N -1 3 353.418 3.007 20 0 FGADHM CCOc1cc(-c2noc(Cc3c(CC)nn(C)c3CC)n2)ccc1[O-] ZINC000436871202 501224979 /nfs/dbraw/zinc/22/49/79/501224979.db2.gz JCHCHBLWVQHAGN-UHFFFAOYSA-N -1 3 356.426 3.290 20 0 FGADHM CC(C)(C)OC(=O)c1ccc(CN2CCC[C@H](c3n[n-]c(=O)o3)C2)cc1 ZINC000450893459 501225074 /nfs/dbraw/zinc/22/50/74/501225074.db2.gz BXZZZQGZJZDTAI-HNNXBMFYSA-N -1 3 359.426 3.110 20 0 FGADHM COc1ccc(C(=O)NC[C@@]2(Cc3ccc(F)cc3)CCC[C@H]2O)c([O-])c1 ZINC000436876191 501225555 /nfs/dbraw/zinc/22/55/55/501225555.db2.gz GXELHLXROIJWFP-CTNGQTDRSA-N -1 3 373.424 3.044 20 0 FGADHM COc1cc(-c2noc([C@@H](C)NC(=O)CCc3ccccc3)n2)ccc1[O-] ZINC000436876750 501226184 /nfs/dbraw/zinc/22/61/84/501226184.db2.gz KEKCWVYKCNMWTB-CYBMUJFWSA-N -1 3 367.405 3.261 20 0 FGADHM Cn1cccc1[C@@H]1COCCN1C(=O)CCc1ccc2ccccc2c1[O-] ZINC000450909571 501228022 /nfs/dbraw/zinc/22/80/22/501228022.db2.gz UJQJSEGBZRSAHA-FQEVSTJZSA-N -1 3 364.445 3.417 20 0 FGADHM Cc1ccc([O-])c(-c2nc(-c3ccc(CN4CCOCC4)cc3)no2)c1 ZINC000436888472 501228197 /nfs/dbraw/zinc/22/81/97/501228197.db2.gz SJYXOWLJFFRAFH-UHFFFAOYSA-N -1 3 351.406 3.250 20 0 FGADHM CC1(C)C[C@H]1NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436901621 501229637 /nfs/dbraw/zinc/22/96/37/501229637.db2.gz CFMRFCAVPYXNFT-QZTJIDSGSA-N -1 3 352.434 3.168 20 0 FGADHM COc1cccc(-c2nc(Cc3ccc(C(F)(F)F)cn3)no2)c1[O-] ZINC000436898591 501229675 /nfs/dbraw/zinc/22/96/75/501229675.db2.gz YYIWTOWUJZNTIV-UHFFFAOYSA-N -1 3 351.284 3.455 20 0 FGADHM Cc1cc(C(=O)NCc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)ccc1[O-] ZINC000436904370 501230232 /nfs/dbraw/zinc/23/02/32/501230232.db2.gz PPRHMDLVMZTGRL-IRXDYDNUSA-N -1 3 368.477 3.240 20 0 FGADHM CCc1nnc([C@@H](C)NC(=O)c2cc(Oc3ccccc3)ccc2[O-])[nH]1 ZINC000436907123 501230722 /nfs/dbraw/zinc/23/07/22/501230722.db2.gz DNRUWBOUFVNZNS-GFCCVEGCSA-N -1 3 352.394 3.356 20 0 FGADHM Cc1ccc([O-])c(-c2nc(-c3ccc(Cn4cncn4)c(F)c3)no2)c1 ZINC000436920065 501233131 /nfs/dbraw/zinc/23/31/31/501233131.db2.gz QBXJKRUNKWXLFV-UHFFFAOYSA-N -1 3 351.341 3.197 20 0 FGADHM Cc1csc(S(=O)(=O)[N-]C[C@@H](c2cccs2)N2CCCC2)c1 ZINC000450986975 501237143 /nfs/dbraw/zinc/23/71/43/501237143.db2.gz JBWVVFBDWGPVEM-ZDUSSCGKSA-N -1 3 356.538 3.233 20 0 FGADHM CC[C@@H]([N-]S(=O)(=O)c1cc(Br)c(C)cc1OC)C(F)F ZINC000451084321 501244335 /nfs/dbraw/zinc/24/43/35/501244335.db2.gz QSKNTNKLFUZRAZ-SECBINFHSA-N -1 3 372.231 3.088 20 0 FGADHM O=S(=O)([N-]c1cccc(NCC(F)(F)F)c1)c1ccc2c(c1)CCO2 ZINC000451089743 501244937 /nfs/dbraw/zinc/24/49/37/501244937.db2.gz NHJHPBORIIDCTR-UHFFFAOYSA-N -1 3 372.368 3.397 20 0 FGADHM Cc1csc(S(=O)(=O)[N-]CCCc2nc3c(s2)CCCC3)c1 ZINC000451162185 501249134 /nfs/dbraw/zinc/24/91/34/501249134.db2.gz OBLQPEVLCQVETQ-UHFFFAOYSA-N -1 3 356.538 3.303 20 0 FGADHM C[C@H]1C[C@H]([N-]S(=O)(=O)c2sc3ccccc3c2Cl)CCN1C ZINC000451245226 501254439 /nfs/dbraw/zinc/25/44/39/501254439.db2.gz OQHZSOZABIKYEW-WDEREUQCSA-N -1 3 358.916 3.316 20 0 FGADHM Cc1nn(C)c(C)c1C[N-]S(=O)(=O)c1sc2ccccc2c1Cl ZINC000451289490 501257747 /nfs/dbraw/zinc/25/77/47/501257747.db2.gz XNYGXKAQTCMMNF-UHFFFAOYSA-N -1 3 369.899 3.384 20 0 FGADHM CCC[C@@H]([N-]S(=O)(=O)c1sccc1Cl)c1nnc2ccccn21 ZINC000451299625 501259688 /nfs/dbraw/zinc/25/96/88/501259688.db2.gz KHIDFYYBVVRHGZ-LLVKDONJSA-N -1 3 370.887 3.264 20 0 FGADHM CCOC(=O)c1sc([C@H](C)[N-]S(=O)(=O)c2cc(C)cs2)nc1C ZINC000451311127 501262066 /nfs/dbraw/zinc/26/20/66/501262066.db2.gz SFVDLJMRZONWAR-JTQLQIEISA-N -1 3 374.509 3.038 20 0 FGADHM CCC[C@@H](NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)C(C)(C)C ZINC000455309587 501268633 /nfs/dbraw/zinc/26/86/33/501268633.db2.gz SSOCBYIYGNKCEY-QGZVFWFLSA-N -1 3 361.486 3.074 20 0 FGADHM CC[C@@H]([N-]S(=O)(=O)C[C@H]1CCCCC1(F)F)c1c(C)noc1C ZINC000451349431 501271950 /nfs/dbraw/zinc/27/19/50/501271950.db2.gz XMCKIXRNDVOEAP-CHWSQXEVSA-N -1 3 350.431 3.487 20 0 FGADHM COCC[C@H]([N-]S(=O)(=O)Cc1c(F)cccc1Cl)c1ccco1 ZINC000451387098 501280880 /nfs/dbraw/zinc/28/08/80/501280880.db2.gz YLKYHOXQPYRXCO-AWEZNQCLSA-N -1 3 361.822 3.269 20 0 FGADHM C[C@H](CC[N-]S(=O)(=O)c1cc2cc(F)ccc2o1)N1CCCCC1 ZINC000451388017 501281148 /nfs/dbraw/zinc/28/11/48/501281148.db2.gz AFQBMBKKUGKACK-CYBMUJFWSA-N -1 3 354.447 3.115 20 0 FGADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]CCCC1CCOCC1 ZINC000451606968 501335410 /nfs/dbraw/zinc/33/54/10/501335410.db2.gz JHGJVNUUELPMSZ-UHFFFAOYSA-N -1 3 355.431 3.365 20 0 FGADHM CCC[C@@H](C[N-]S(=O)(=O)c1cccc(Cl)c1Br)OC ZINC000451636104 501340790 /nfs/dbraw/zinc/34/07/90/501340790.db2.gz AZENZGKIUFHBDU-VIFPVBQESA-N -1 3 370.696 3.196 20 0 FGADHM CC[C@@H]([N-]S(=O)(=O)c1csc2ccc(Cl)cc21)[C@@H](O)C(F)F ZINC000451706355 501356946 /nfs/dbraw/zinc/35/69/46/501356946.db2.gz GDTVXZBHOLQJBI-BXKDBHETSA-N -1 3 369.842 3.238 20 0 FGADHM CC[C@@](C)(C[N-]S(=O)(=O)c1cccc(Cl)c1Br)OC ZINC000451796906 501373523 /nfs/dbraw/zinc/37/35/23/501373523.db2.gz NMPLZWMFKDBHAW-LBPRGKRZSA-N -1 3 370.696 3.196 20 0 FGADHM O=S(=O)([N-]C[C@@H]1CCCC1(F)F)c1ccc(F)c(Br)c1 ZINC000451820268 501379773 /nfs/dbraw/zinc/37/97/73/501379773.db2.gz DFRZZFUEKXUUCX-QMMMGPOBSA-N -1 3 372.206 3.302 20 0 FGADHM CC(C)(C)OC(=O)CN(C(=O)c1cc([O-])ccc1Cl)C1CCOCC1 ZINC000592807396 506250986 /nfs/dbraw/zinc/25/09/86/506250986.db2.gz MAVSFAWGMBFVJI-UHFFFAOYSA-N -1 3 369.845 3.009 20 0 FGADHM O=S(=O)([N-]C[C@@H]1CCCC[C@H]1O)c1cc(Cl)ccc1C(F)(F)F ZINC000451950890 501406586 /nfs/dbraw/zinc/40/65/86/501406586.db2.gz AYMKCAASMVTAES-JOYOIKCWSA-N -1 3 371.808 3.188 20 0 FGADHM CCc1ncc(C[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)o1 ZINC000451958320 501408175 /nfs/dbraw/zinc/40/81/75/501408175.db2.gz LLPHBPFUKWOXCL-UHFFFAOYSA-N -1 3 368.764 3.388 20 0 FGADHM CCCc1ncc(C[N-]S(=O)(=O)c2cc(Cl)c(OC)cc2C)o1 ZINC000451959242 501408189 /nfs/dbraw/zinc/40/81/89/501408189.db2.gz MPCKFKKJZJZRKV-UHFFFAOYSA-N -1 3 358.847 3.076 20 0 FGADHM CCCc1ncc(C[N-]S(=O)(=O)Cc2ccc(Br)cc2)o1 ZINC000451959746 501408794 /nfs/dbraw/zinc/40/87/94/501408794.db2.gz NQCBFPYIPWNTAS-UHFFFAOYSA-N -1 3 373.272 3.009 20 0 FGADHM COc1cc(Cl)c(S(=O)(=O)[N-]CC(C)(C)C(C)(C)O)cc1Cl ZINC000452031142 501420615 /nfs/dbraw/zinc/42/06/15/501420615.db2.gz JJUZQOHZHQDEAX-UHFFFAOYSA-N -1 3 370.298 3.077 20 0 FGADHM CC(C)(CN1CCCC1)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000452092382 501433238 /nfs/dbraw/zinc/43/32/38/501433238.db2.gz WZWWIQFISAAUAN-UHFFFAOYSA-N -1 3 351.299 3.146 20 0 FGADHM Cc1csc([C@H]([N-]C(=O)c2cnc(C(F)(F)F)nc2)C(F)(F)F)n1 ZINC000452235212 501464413 /nfs/dbraw/zinc/46/44/13/501464413.db2.gz KUEUHERGRRVKJO-ZETCQYMHSA-N -1 3 370.278 3.294 20 0 FGADHM CCO[C@@H]1CCCC[C@H]1NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000458557622 501473956 /nfs/dbraw/zinc/47/39/56/501473956.db2.gz RZADBUJKTXICQB-UKRRQHHQSA-N -1 3 371.275 3.302 20 0 FGADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@H]1CCO[C@@H](c2cccnc2)C1 ZINC000456237721 501478861 /nfs/dbraw/zinc/47/88/61/501478861.db2.gz ANAOBUMMZHYCKN-QFBILLFUSA-N -1 3 358.413 3.286 20 0 FGADHM CCN(C)C(=O)[C@@H](NC(=O)CCc1ccc2ccccc2c1[O-])C(C)C ZINC000452543201 501521010 /nfs/dbraw/zinc/52/10/10/501521010.db2.gz JAJDFVNLAPVLTD-IBGZPJMESA-N -1 3 356.466 3.097 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N2CC3(CCC3)[C@@H]2c2ccco2)c([O-])c1 ZINC000456559038 501548089 /nfs/dbraw/zinc/54/80/89/501548089.db2.gz GKWNDQALYHJNOX-IBGZPJMESA-N -1 3 368.433 3.167 20 0 FGADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)NC[C@@H]1CCCCC1(F)F ZINC000452711465 501549672 /nfs/dbraw/zinc/54/96/72/501549672.db2.gz HVDXDSLPBLZLRS-NSHDSACASA-N -1 3 364.396 3.107 20 0 FGADHM COC(=O)[C@H]1CCC[C@@H](C(=O)Nc2c([O-])ccc(Br)c2C)C1 ZINC000452756149 501557653 /nfs/dbraw/zinc/55/76/53/501557653.db2.gz OIVBLWAQYZRDTP-MNOVXSKESA-N -1 3 370.243 3.381 20 0 FGADHM Cc1cccnc1CCCNC(=O)Cc1ccc(Br)cc1[O-] ZINC000452769914 501559760 /nfs/dbraw/zinc/55/97/60/501559760.db2.gz GNZUUTUEXOUUBZ-UHFFFAOYSA-N -1 3 363.255 3.150 20 0 FGADHM CC[C@@H]1C[C@H]1CNC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000452772463 501560178 /nfs/dbraw/zinc/56/01/78/501560178.db2.gz KEOIOVCDFDVQQA-MOXGXCLJSA-N -1 3 366.461 3.416 20 0 FGADHM CO[C@@H]1C[C@H](N(C)C(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)C12CCC2 ZINC000456640226 501564334 /nfs/dbraw/zinc/56/43/34/501564334.db2.gz ODFVHQVPTAKPTN-JKSUJKDBSA-N -1 3 358.413 3.005 20 0 FGADHM CC[C@@H](NC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O)C1CCCC1 ZINC000456667855 501571084 /nfs/dbraw/zinc/57/10/84/501571084.db2.gz UUGJHYJGBMYUQB-GOSISDBHSA-N -1 3 368.481 3.158 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)NC[C@H]3CCO[C@H](C(C)C)C3)c[n-]c12 ZINC000452855530 501575419 /nfs/dbraw/zinc/57/54/19/501575419.db2.gz WFXDKWQIBGFEDO-GUYCJALGSA-N -1 3 360.429 3.157 20 0 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/nfs/dbraw/zinc/67/49/15/501674915.db2.gz SXUZVUNMVLEADZ-UHFFFAOYSA-N -1 3 353.216 3.282 20 0 FGADHM CCOc1cc(CN2CC(C)(CCOC)C2)cc(Br)c1[O-] ZINC000459638282 501691237 /nfs/dbraw/zinc/69/12/37/501691237.db2.gz UEHUGLRIMZHDAF-UHFFFAOYSA-N -1 3 358.276 3.412 20 0 FGADHM C[C@@H](C(=O)Nc1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1)c1cccc(Cl)c1 ZINC000607800210 506267947 /nfs/dbraw/zinc/26/79/47/506267947.db2.gz PMPCVRTWVMMXQX-NSPYISDASA-N -1 3 371.824 3.137 20 0 FGADHM CC(C)c1nnc(NC(=O)Cc2ccc(Br)cc2[O-])s1 ZINC000477614681 501738162 /nfs/dbraw/zinc/73/81/62/501738162.db2.gz GRFBAYLUDMYVNS-UHFFFAOYSA-N -1 3 356.245 3.311 20 0 FGADHM COc1cc(C)c(NC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)cc1OC ZINC000477645265 501748704 /nfs/dbraw/zinc/74/87/04/501748704.db2.gz NUTSOESSAAVPFJ-UHFFFAOYSA-N -1 3 374.343 3.384 20 0 FGADHM COc1cc(C)c(NC(=O)c2cnc3c(F)cc(F)cc3c2[O-])cc1OC ZINC000477645265 501748707 /nfs/dbraw/zinc/74/87/07/501748707.db2.gz NUTSOESSAAVPFJ-UHFFFAOYSA-N -1 3 374.343 3.384 20 0 FGADHM Cc1ccsc1S(=O)(=O)[N-]c1ccc(OCCN(C)C)c(Cl)c1 ZINC000467438793 501794763 /nfs/dbraw/zinc/79/47/63/501794763.db2.gz IIXYSSJRSXOTHY-UHFFFAOYSA-N -1 3 374.915 3.451 20 0 FGADHM CC(C)(C)CC[C@H](CO)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000481513332 501797271 /nfs/dbraw/zinc/79/72/71/501797271.db2.gz YUJXIPDLCUUNIH-LLVKDONJSA-N -1 3 371.396 3.310 20 0 FGADHM CSc1cccc(C)c1NC(=O)NCCCNC(=O)c1cccc([O-])c1 ZINC000481516580 501797786 /nfs/dbraw/zinc/79/77/86/501797786.db2.gz FMACLJDJKTUFPC-UHFFFAOYSA-N -1 3 373.478 3.364 20 0 FGADHM COC(C)(C)c1nc(C)c(C(=O)[N-]c2sccc2S(C)(=O)=O)s1 ZINC000463859182 501841029 /nfs/dbraw/zinc/84/10/29/501841029.db2.gz NIEISULWKJDAPB-UHFFFAOYSA-N -1 3 374.509 3.050 20 0 FGADHM O=C(CSCc1ccccn1)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1 ZINC000467717288 501852671 /nfs/dbraw/zinc/85/26/71/501852671.db2.gz AMINKWBLWPPSSO-UHFFFAOYSA-N -1 3 360.389 3.044 20 0 FGADHM CC(C)Oc1ccc(C(=O)N=c2cc(-c3cc(F)cc(F)c3)[n-][nH]2)cn1 ZINC000467718399 501853156 /nfs/dbraw/zinc/85/31/56/501853156.db2.gz 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CCCCc1nc(NC(=O)[C@@H]2CC(=O)c3ccccc32)c(C(=O)OCC)[n-]1 ZINC000485667513 501893569 /nfs/dbraw/zinc/89/35/69/501893569.db2.gz AWMAJFMWIZDKSS-CQSZACIVSA-N -1 3 369.421 3.238 20 0 FGADHM CCc1cc(C(=O)NCc2ccc(C(=O)N(CC)CC)cc2)ccc1[O-] ZINC000485690597 501902407 /nfs/dbraw/zinc/90/24/07/501902407.db2.gz CFNIFSRZDHXKQM-UHFFFAOYSA-N -1 3 354.450 3.367 20 0 FGADHM CCCCc1nc(C(=O)OCC)c(NC(=O)COc2ccc(F)cc2)[n-]1 ZINC000485711241 501910093 /nfs/dbraw/zinc/91/00/93/501910093.db2.gz OOHIXCAQQSFFHJ-UHFFFAOYSA-N -1 3 363.389 3.086 20 0 FGADHM CCCCc1nc(NC(=O)COc2ccc(F)cc2)c(C(=O)OCC)[n-]1 ZINC000485711241 501910097 /nfs/dbraw/zinc/91/00/97/501910097.db2.gz OOHIXCAQQSFFHJ-UHFFFAOYSA-N -1 3 363.389 3.086 20 0 FGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H](c1cccnc1)C(C)C ZINC000485713117 501911269 /nfs/dbraw/zinc/91/12/69/501911269.db2.gz YBTYIOVKJBLGHO-OAHLLOKOSA-N -1 3 368.886 3.462 20 0 FGADHM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)c1cccc(Cl)c1Cl ZINC000474776629 501948967 /nfs/dbraw/zinc/94/89/67/501948967.db2.gz 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501986380 /nfs/dbraw/zinc/98/63/80/501986380.db2.gz IUFPDXMIHGSRIR-UHFFFAOYSA-N -1 3 371.456 3.030 20 0 FGADHM Cc1ccc(CN(C)C(=O)N=c2cc3ccc(Br)cn3[n-]2)o1 ZINC000482144074 501988039 /nfs/dbraw/zinc/98/80/39/501988039.db2.gz UKKOQMGEEAKAOC-UHFFFAOYSA-N -1 3 363.215 3.084 20 0 FGADHM C[C@H](CS(=O)(=O)[N-]Cc1cc(COC(C)(C)C)on1)c1ccccc1 ZINC000485936501 501993053 /nfs/dbraw/zinc/99/30/53/501993053.db2.gz AVJKWOIJVYWKKM-CQSZACIVSA-N -1 3 366.483 3.213 20 0 FGADHM CN(Cc1ccco1)Cc1ccccc1CNC(=O)c1csc(=O)[n-]1 ZINC000471387656 502007142 /nfs/dbraw/zinc/00/71/42/502007142.db2.gz IBFYZIOSPHDRRG-UHFFFAOYSA-N -1 3 357.435 3.004 20 0 FGADHM CC1(C)CC[C@@H](NC(=O)CNC(=O)c2cccc([O-])c2)c2ccccc21 ZINC000471392816 502010036 /nfs/dbraw/zinc/01/00/36/502010036.db2.gz XMYDWBYUYHROHJ-GOSISDBHSA-N -1 3 352.434 3.051 20 0 FGADHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)cc1OCC(F)F ZINC000588634459 506287814 /nfs/dbraw/zinc/28/78/14/506287814.db2.gz XBLKIVUFSSWJQJ-UHFFFAOYSA-N -1 3 369.389 3.375 20 0 FGADHM 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ZINC000486124648 502054577 /nfs/dbraw/zinc/05/45/77/502054577.db2.gz GQLFMROJACUQGZ-UHFFFAOYSA-N -1 3 373.796 3.209 20 0 FGADHM COC(=O)c1cc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)c(C)cc1C ZINC000471579961 502072548 /nfs/dbraw/zinc/07/25/48/502072548.db2.gz CVLDZQBKQAJIRP-UHFFFAOYSA-N -1 3 359.447 3.380 20 0 FGADHM O=C([N-]c1nnc(-c2c(F)cccc2Cl)s1)c1cnn2cccnc12 ZINC000478771494 502081298 /nfs/dbraw/zinc/08/12/98/502081298.db2.gz VIOHFGBGFAVWTR-UHFFFAOYSA-N -1 3 374.788 3.293 20 0 FGADHM COc1cc([C@H](C)NC(=O)NCc2ncccc2[O-])ccc1OC(C)C ZINC000471605516 502083975 /nfs/dbraw/zinc/08/39/75/502083975.db2.gz HYLJRGQVZPASNN-ZDUSSCGKSA-N -1 3 359.426 3.143 20 0 FGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)c1ccc2c(c1)OCO2 ZINC000486247582 502098858 /nfs/dbraw/zinc/09/88/58/502098858.db2.gz AZUOPYHOSOQDSK-JTQLQIEISA-N -1 3 369.826 3.117 20 0 FGADHM CC(C)OCc1nc([C@H](C)NC(=O)CCCc2ccc([O-])c(F)c2)no1 ZINC000461403931 502099288 /nfs/dbraw/zinc/09/92/88/502099288.db2.gz FXUNLNHMUBWMNV-LBPRGKRZSA-N -1 3 365.405 3.039 20 0 FGADHM Cc1nc(Cn2cc(Cl)c(=O)[n-]c2=O)oc1-c1ccc(Cl)cc1 ZINC000464803223 502100759 /nfs/dbraw/zinc/10/07/59/502100759.db2.gz WQCBFUPRCJRTEP-UHFFFAOYSA-N -1 3 352.177 3.267 20 0 FGADHM O=C(Nc1ccc(OCC(F)(F)F)nc1)c1cc(-c2ccco2)[n-]n1 ZINC000482533425 502103768 /nfs/dbraw/zinc/10/37/68/502103768.db2.gz SVUYJPJVCABMPZ-UHFFFAOYSA-N -1 3 352.272 3.258 20 0 FGADHM O=C(Nc1ccc(OCC(F)(F)F)nc1)c1cc(-c2ccco2)n[n-]1 ZINC000482533425 502103772 /nfs/dbraw/zinc/10/37/72/502103772.db2.gz SVUYJPJVCABMPZ-UHFFFAOYSA-N -1 3 352.272 3.258 20 0 FGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1COc2c1ccc(C)c2C ZINC000486270326 502107260 /nfs/dbraw/zinc/10/72/60/502107260.db2.gz XMCTYXCQNPOUPY-AWEZNQCLSA-N -1 3 367.854 3.377 20 0 FGADHM CN(C)[C@H](CNC(=O)CCCc1ccc([O-])c(F)c1)c1cccs1 ZINC000468562496 502107497 /nfs/dbraw/zinc/10/74/97/502107497.db2.gz ANQPNAMJUJELPS-OAHLLOKOSA-N -1 3 350.459 3.335 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]C[C@H](c2ccccc2)N(C)C)c(Cl)cc1F ZINC000471697702 502111415 /nfs/dbraw/zinc/11/14/15/502111415.db2.gz MJDRPUOBIHZXEO-MRXNPFEDSA-N -1 3 370.877 3.369 20 0 FGADHM CO[C@]1(C)C[C@H](NC(=O)NCc2ccc([O-])c(Br)c2)C1(C)C ZINC000482566017 502112015 /nfs/dbraw/zinc/11/20/15/502112015.db2.gz PBUDNQGJXLLXBE-XJKSGUPXSA-N -1 3 371.275 3.158 20 0 FGADHM COc1ccc([O-])c2nc(/C=C/c3cn(Cc4cccnc4)nn3)ccc12 ZINC000478918128 502121266 /nfs/dbraw/zinc/12/12/66/502121266.db2.gz AJDQVVYMBPDDRM-SNAWJCMRSA-N -1 3 359.389 3.154 20 0 FGADHM Cc1nc(C)c(CC(=O)NCCCc2ccc(Cl)cc2Cl)c(=O)[n-]1 ZINC000471729951 502122041 /nfs/dbraw/zinc/12/20/41/502122041.db2.gz YAOJTWJVCORYIB-UHFFFAOYSA-N -1 3 368.264 3.397 20 0 FGADHM O=C(Nc1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1F)c1ccccc1 ZINC000461470127 502126818 /nfs/dbraw/zinc/12/68/18/502126818.db2.gz SEVUKFMGXZMHNL-UHFFFAOYSA-N -1 3 368.817 3.172 20 0 FGADHM O=C(NCc1ncccc1[O-])N[C@@H]1CCCc2cc(OC(F)F)ccc21 ZINC000471760522 502129361 /nfs/dbraw/zinc/12/93/61/502129361.db2.gz QWFRMDDJABMTEB-CQSZACIVSA-N -1 3 363.364 3.265 20 0 FGADHM Cc1ccc(NC(=O)CCCOc2ccc3c(c2)NC(=O)CC3)c([O-])c1 ZINC000486382691 502138748 /nfs/dbraw/zinc/13/87/48/502138748.db2.gz QLYOIYQJBIUNMZ-UHFFFAOYSA-N -1 3 354.406 3.383 20 0 FGADHM Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)NCc2ncccc2[O-])C1 ZINC000471808669 502142466 /nfs/dbraw/zinc/14/24/66/502142466.db2.gz HUKISMNKPMQOQK-AWEZNQCLSA-N -1 3 374.872 3.075 20 0 FGADHM C[C@H](CC(=O)Nc1ccc(Br)cc1)NCc1ncccc1[O-] ZINC000475348995 502144011 /nfs/dbraw/zinc/14/40/11/502144011.db2.gz VUYQOYVFGSSPIA-LLVKDONJSA-N -1 3 364.243 3.057 20 0 FGADHM Cc1ccc(Br)cc1-c1n[n-]c(=N[C@H](C)CCN(C)C)s1 ZINC000468698202 502151108 /nfs/dbraw/zinc/15/11/08/502151108.db2.gz GLNDIVIFIWJWGM-LLVKDONJSA-N -1 3 369.332 3.450 20 0 FGADHM CC(C)[C@H](CC1CCCC1)C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C ZINC000461612385 502153639 /nfs/dbraw/zinc/15/36/39/502153639.db2.gz VUNSBXQMXWQDAW-AWEZNQCLSA-N -1 3 359.470 3.374 20 0 FGADHM CC[C@H](CC(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C)c1ccc(C)cc1 ZINC000461613662 502153812 /nfs/dbraw/zinc/15/38/12/502153812.db2.gz MQOINIRTALPUAI-CQSZACIVSA-N -1 3 367.449 3.413 20 0 FGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@H]2CCCC2(C)C)cc1OC ZINC000475384458 502156490 /nfs/dbraw/zinc/15/64/90/502156490.db2.gz VVNNIRNUYKVSGA-CYBMUJFWSA-N -1 3 354.472 3.222 20 0 FGADHM O=C([N-]c1cc(-c2ccccc2)on1)c1cn(-c2ccccc2Cl)nn1 ZINC000461626397 502157927 /nfs/dbraw/zinc/15/79/27/502157927.db2.gz ZIIKYTNBUCEGFR-UHFFFAOYSA-N -1 3 365.780 3.250 20 0 FGADHM O=c1[n-]c(=O)n(Cc2nc(-c3ccccc3Cl)cs2)cc1Cl ZINC000479099808 502163564 /nfs/dbraw/zinc/16/35/64/502163564.db2.gz KKLOFBKQDMQFGF-UHFFFAOYSA-N -1 3 354.218 3.428 20 0 FGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)c2cncc(C(F)(F)F)c2)c1 ZINC000486480314 502166334 /nfs/dbraw/zinc/16/63/34/502166334.db2.gz PRKHYGMQYQVNML-UHFFFAOYSA-N -1 3 373.356 3.033 20 0 FGADHM O=S(=O)([N-][C@@H]1CCCC(F)(F)C1)c1ccc(F)c(Br)c1 ZINC000486685352 502231144 /nfs/dbraw/zinc/23/11/44/502231144.db2.gz URTNBUZJLIHHRO-MRVPVSSYSA-N -1 3 372.206 3.444 20 0 FGADHM CC(C)(C)[C@H](COc1ccccc1F)NC(=O)NCc1ncccc1[O-] ZINC000471913292 502170923 /nfs/dbraw/zinc/17/09/23/502170923.db2.gz ZRGKTIFOQKCPQI-KRWDZBQOSA-N -1 3 361.417 3.219 20 0 FGADHM O=C(CCCc1ccc([O-])c(F)c1)Nc1cccc(N2CCNC2=O)c1 ZINC000468756845 502172968 /nfs/dbraw/zinc/17/29/68/502172968.db2.gz AGCVERIIOCHZHH-UHFFFAOYSA-N -1 3 357.385 3.022 20 0 FGADHM O=C(NCc1csc2ccccc12)NCc1nnc(C(F)(F)F)[n-]1 ZINC000482765738 502174994 /nfs/dbraw/zinc/17/49/94/502174994.db2.gz HXKIJSUKMGRCMG-UHFFFAOYSA-N -1 3 355.345 3.038 20 0 FGADHM O=C(NCc1csc2ccccc12)NCc1n[n-]c(C(F)(F)F)n1 ZINC000482765738 502175001 /nfs/dbraw/zinc/17/50/01/502175001.db2.gz HXKIJSUKMGRCMG-UHFFFAOYSA-N -1 3 355.345 3.038 20 0 FGADHM O=C(NCc1csc2ccccc12)NCc1nc(C(F)(F)F)n[n-]1 ZINC000482765738 502175006 /nfs/dbraw/zinc/17/50/06/502175006.db2.gz HXKIJSUKMGRCMG-UHFFFAOYSA-N -1 3 355.345 3.038 20 0 FGADHM Cc1cccc(N(CCC(N)=O)C(=O)CCCc2ccc([O-])c(F)c2)c1 ZINC000468768682 502176221 /nfs/dbraw/zinc/17/62/21/502176221.db2.gz AZBQISRPMYVZNM-UHFFFAOYSA-N -1 3 358.413 3.071 20 0 FGADHM Cc1ccc(OC(F)F)c(CNC(=O)c2cc(=O)c3ccccc3[n-]2)c1 ZINC000465041460 502179279 /nfs/dbraw/zinc/17/92/79/502179279.db2.gz HOLNWAORWDKRIR-UHFFFAOYSA-N -1 3 358.344 3.368 20 0 FGADHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1C[C@H](C)C[C@H](C)[C@@H]1C ZINC000475471961 502182511 /nfs/dbraw/zinc/18/25/11/502182511.db2.gz UDAUEBHTWPYKQT-MDZLAQPJSA-N -1 3 366.483 3.065 20 0 FGADHM COC(=O)[C@H](C[C@@H]1CCCc2ccccc21)NC(=O)c1cccc([O-])c1 ZINC000461744208 502188433 /nfs/dbraw/zinc/18/84/33/502188433.db2.gz CXJCBTGJXFFOAG-KXBFYZLASA-N -1 3 353.418 3.174 20 0 FGADHM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(C)c(C)c1)c1ccc(C)c(C)c1 ZINC000468805537 502189438 /nfs/dbraw/zinc/18/94/38/502189438.db2.gz CYEVKYYQQPVLKL-GOSISDBHSA-N -1 3 361.463 3.113 20 0 FGADHM CCNC(=O)N1CCc2ccc(NC(=O)c3cc(-c4ccco4)[n-]n3)cc21 ZINC000465111971 502193060 /nfs/dbraw/zinc/19/30/60/502193060.db2.gz OULUJODORPWZOK-UHFFFAOYSA-N -1 3 365.393 3.014 20 0 FGADHM CCNC(=O)N1CCc2ccc(NC(=O)c3cc(-c4ccco4)n[n-]3)cc21 ZINC000465111971 502193067 /nfs/dbraw/zinc/19/30/67/502193067.db2.gz OULUJODORPWZOK-UHFFFAOYSA-N -1 3 365.393 3.014 20 0 FGADHM CCOc1nc2cc(C(=O)N[C@@H](C)c3cc(OC)ccc3OC)ccc2[n-]1 ZINC000468830476 502197852 /nfs/dbraw/zinc/19/78/52/502197852.db2.gz DVCFLKKQOFKRLI-LBPRGKRZSA-N -1 3 369.421 3.470 20 0 FGADHM CCOc1nc2ccc(C(=O)N[C@@H](C)c3cc(OC)ccc3OC)cc2[n-]1 ZINC000468830476 502197859 /nfs/dbraw/zinc/19/78/59/502197859.db2.gz DVCFLKKQOFKRLI-LBPRGKRZSA-N -1 3 369.421 3.470 20 0 FGADHM CCCN(C(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1)C1CC1 ZINC000472029309 502205143 /nfs/dbraw/zinc/20/51/43/502205143.db2.gz LGPMRKSIUSDGRK-UHFFFAOYSA-N -1 3 364.389 3.092 20 0 FGADHM O=C(CCc1nc(C2CCCC2)no1)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000475541957 502208335 /nfs/dbraw/zinc/20/83/35/502208335.db2.gz SXGYAYDNYJRQHT-UHFFFAOYSA-N -1 3 351.410 3.111 20 0 FGADHM CCc1cc(C(=O)N2CCOC[C@@H]2CC(=O)c2ccccc2)ccc1[O-] ZINC000486646085 502218973 /nfs/dbraw/zinc/21/89/73/502218973.db2.gz OTSYUNHGEAHBQZ-SFHVURJKSA-N -1 3 353.418 3.069 20 0 FGADHM CCc1ccc([C@H](COC)[N-]S(=O)(=O)Cc2ccc(CC)cc2)o1 ZINC000468894032 502220546 /nfs/dbraw/zinc/22/05/46/502220546.db2.gz JUDVSUMJADPACZ-KRWDZBQOSA-N -1 3 351.468 3.212 20 0 FGADHM Cc1ccc(CS(=O)(=O)[N-]c2ccc3nc(N(C)C)oc3c2)cc1F ZINC000468898756 502222052 /nfs/dbraw/zinc/22/20/52/502222052.db2.gz KPOFDWMULHJTFA-UHFFFAOYSA-N -1 3 363.414 3.283 20 0 FGADHM COc1ccc(CN[C@H](CO)c2ccsc2)c(Br)c1[O-] ZINC000472079212 502222945 /nfs/dbraw/zinc/22/29/45/502222945.db2.gz SINZFLCTGONKCN-LLVKDONJSA-N -1 3 358.257 3.048 20 0 FGADHM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1)c1cc(C)cc(C)c1 ZINC000468910901 502226931 /nfs/dbraw/zinc/22/69/31/502226931.db2.gz KNZRKCUMPYYAJQ-MRXNPFEDSA-N -1 3 367.854 3.149 20 0 FGADHM CCCn1c(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc2ccccc21 ZINC000468934696 502234917 /nfs/dbraw/zinc/23/49/17/502234917.db2.gz LSKZOCVSNKLBGS-UHFFFAOYSA-N -1 3 360.421 3.161 20 0 FGADHM CCCn1c(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc2ccccc21 ZINC000468934696 502234922 /nfs/dbraw/zinc/23/49/22/502234922.db2.gz LSKZOCVSNKLBGS-UHFFFAOYSA-N -1 3 360.421 3.161 20 0 FGADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H](C)COCC(F)(F)F ZINC000472116224 502237246 /nfs/dbraw/zinc/23/72/46/502237246.db2.gz WCEXSCMPVPORDH-MRVPVSSYSA-N -1 3 369.336 3.126 20 0 FGADHM Cc1cc(F)c(S(=O)(=O)[N-][C@H](c2ccccc2)[C@H]2CCCO2)cc1F ZINC000475734822 502270868 /nfs/dbraw/zinc/27/08/68/502270868.db2.gz ZUYOTXKQDRQJFS-SJLPKXTDSA-N -1 3 367.417 3.472 20 0 FGADHM C[C@@H](C(=O)N=c1cc(-c2ccncc2)[n-][nH]1)c1cccc(Br)c1 ZINC000462018977 502276439 /nfs/dbraw/zinc/27/64/39/502276439.db2.gz ZWDDEAFAOXGIHO-LLVKDONJSA-N -1 3 371.238 3.398 20 0 FGADHM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(C)c(-n3cnnn3)c2)cc1 ZINC000486829660 502276808 /nfs/dbraw/zinc/27/68/08/502276808.db2.gz YUMJMVGMVCMFGZ-CYBMUJFWSA-N -1 3 371.466 3.285 20 0 FGADHM CC(C)N(CC(=O)OC(C)(C)C)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000469047560 502277791 /nfs/dbraw/zinc/27/77/91/502277791.db2.gz STDKTVIRUPMYHZ-UHFFFAOYSA-N -1 3 353.434 3.433 20 0 FGADHM CC(=O)Nc1ccc(F)c([N-]S(=O)(=O)c2ccc3ncsc3c2)c1 ZINC000479509342 502280804 /nfs/dbraw/zinc/28/08/04/502280804.db2.gz CAUKWJBHWVSISK-UHFFFAOYSA-N -1 3 365.411 3.195 20 0 FGADHM CC[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(OC)ccc1Br ZINC000465504733 502281199 /nfs/dbraw/zinc/28/11/99/502281199.db2.gz SBLKFVOOWATUQX-GXFFZTMASA-N -1 3 362.289 3.315 20 0 FGADHM CC[C@@H](CNC(=O)c1csc(=O)[n-]1)Oc1ccccc1C(F)(F)F ZINC000472250259 502285397 /nfs/dbraw/zinc/28/53/97/502285397.db2.gz HUUPYTGVVWVPET-VIFPVBQESA-N -1 3 360.357 3.455 20 0 FGADHM COc1cccc(C(NC(=O)c2csc(=O)[n-]2)c2cccc(OC)c2)c1 ZINC000472256734 502287377 /nfs/dbraw/zinc/28/73/77/502287377.db2.gz HWALSVWSMGKDJY-UHFFFAOYSA-N -1 3 370.430 3.385 20 0 FGADHM O=S(=O)([N-]C[C@H]1CCCCN1C1CC1)c1ccc(C(F)(F)F)s1 ZINC000462065386 502291798 /nfs/dbraw/zinc/29/17/98/502291798.db2.gz BRQSMLPOOBUEAP-LLVKDONJSA-N -1 3 368.446 3.062 20 0 FGADHM C[C@@H]1C[C@H](CC[N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)CCO1 ZINC000462068618 502293125 /nfs/dbraw/zinc/29/31/25/502293125.db2.gz 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CCOc1nc2ccc(C(=O)NCc3cccc4c3OCCCO4)cc2[n-]1 ZINC000469880727 502580951 /nfs/dbraw/zinc/58/09/51/502580951.db2.gz RLIZQGAVVUJFQP-UHFFFAOYSA-N -1 3 367.405 3.053 20 0 FGADHM COC(=O)c1ccc(C(=O)[N-]c2nnc(-c3cc(F)ccc3C)s2)cn1 ZINC000473407616 502586945 /nfs/dbraw/zinc/58/69/45/502586945.db2.gz FWFNXCQZJCHXPC-UHFFFAOYSA-N -1 3 372.381 3.087 20 0 FGADHM COc1ccc([O-])c(C(=O)N(C)CCc2cccc(Br)c2)c1 ZINC000462839057 502594697 /nfs/dbraw/zinc/59/46/97/502594697.db2.gz LUARILVWFPSJPD-UHFFFAOYSA-N -1 3 364.239 3.478 20 0 FGADHM CCSc1cccc(NC(=O)NCCCNC(=O)c2cccc([O-])c2)c1 ZINC000480574931 502608379 /nfs/dbraw/zinc/60/83/79/502608379.db2.gz HJWBPUCMNICKDW-UHFFFAOYSA-N -1 3 373.478 3.446 20 0 FGADHM C[C@H]1Cc2ccccc2N1Cc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000488041903 502608879 /nfs/dbraw/zinc/60/88/79/502608879.db2.gz JWCBFCIRZHNGFQ-AWEZNQCLSA-N -1 3 357.417 3.472 20 0 FGADHM CCc1ccc([O-])c(C(=O)N2CCC[C@](CO)(Cc3ccccc3)C2)c1 ZINC000462893605 502616692 /nfs/dbraw/zinc/61/66/92/502616692.db2.gz 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/nfs/dbraw/zinc/62/86/08/502628608.db2.gz AWVKKULMZBSSDZ-UHFFFAOYSA-N -1 3 359.377 3.051 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]C[C@H]2CCC[C@H](C(F)(F)F)C2)c(F)c1 ZINC000480690031 502643516 /nfs/dbraw/zinc/64/35/16/502643516.db2.gz QHGGDCBXWFCHOP-QWRGUYRKSA-N -1 3 369.380 3.481 20 0 FGADHM O=S(=O)([N-][C@@H]1CC[C@H](c2ccc(F)cc2)C1)c1cncc(Cl)c1 ZINC000480725870 502653930 /nfs/dbraw/zinc/65/39/30/502653930.db2.gz FOFHWETYNFNGSF-SWLSCSKDSA-N -1 3 354.834 3.489 20 0 FGADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H](C)CCC(=O)OC(C)C ZINC000480749707 502661030 /nfs/dbraw/zinc/66/10/30/502661030.db2.gz KWELWBQKVOFGKH-LLVKDONJSA-N -1 3 371.430 3.279 20 0 FGADHM CC(C)OC(=O)CC[C@@H](C)[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000480749584 502661409 /nfs/dbraw/zinc/66/14/09/502661409.db2.gz PGORHDTUJNOHRH-LLVKDONJSA-N -1 3 367.389 3.104 20 0 FGADHM COC(=O)c1sc2[n-]c(Cc3nc(C(C)C)cs3)nc(=O)c2c1C ZINC000473633199 502661470 /nfs/dbraw/zinc/66/14/70/502661470.db2.gz VGTKJTDHUHQHKE-UHFFFAOYSA-N -1 3 363.464 3.250 20 0 FGADHM CC(C)(C)c1nn(-c2ccccc2)cc1C(=O)NCc1ncccc1[O-] ZINC000473636836 502662587 /nfs/dbraw/zinc/66/25/87/502662587.db2.gz HMECXGDHYXJNJY-UHFFFAOYSA-N -1 3 350.422 3.200 20 0 FGADHM COC(=O)c1c(C)nc(=O)[n-]c1SCC[C@@H](C)OCc1ccccc1 ZINC000473657677 502669708 /nfs/dbraw/zinc/66/97/08/502669708.db2.gz FWPRHQIRVQWLIE-GFCCVEGCSA-N -1 3 362.451 3.365 20 0 FGADHM CCc1cc(C(=O)N(Cc2ccc(-n3cncn3)cc2)C2CC2)ccc1[O-] ZINC000488326799 502685537 /nfs/dbraw/zinc/68/55/37/502685537.db2.gz CWKLZHWBYVZWSV-UHFFFAOYSA-N -1 3 362.433 3.340 20 0 FGADHM CC(C)n1cc2c(n1)C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)s1)CC2 ZINC000480843829 502686456 /nfs/dbraw/zinc/68/64/56/502686456.db2.gz VQURCAMEUMBBFN-NSHDSACASA-N -1 3 359.904 3.015 20 0 FGADHM CC(C)(C)N=c1[n-]nc(Cn2ccc3ccccc32)n1C[C@H]1CCCCO1 ZINC000463089044 502689809 /nfs/dbraw/zinc/68/98/09/502689809.db2.gz PIHLAPQJDGGZNV-QGZVFWFLSA-N -1 3 367.497 3.483 20 0 FGADHM Cc1cc(S(=O)(=O)[N-][C@@H]2[C@H]3Cc4ccccc4[C@@H]23)c(Cl)cc1F ZINC000477145736 502690572 /nfs/dbraw/zinc/69/05/72/502690572.db2.gz WVPLUHJGKGCRCB-JCURWCKSSA-N -1 3 351.830 3.404 20 0 FGADHM CC(C)(C)N=c1[n-]nc([C@H]2CCO[C@@H]2C(C)(C)C)n1C[C@H]1CCCO1 ZINC000463103376 502695344 /nfs/dbraw/zinc/69/53/44/502695344.db2.gz IJGNVCXUVRRTFW-ILXRZTDVSA-N -1 3 350.507 3.008 20 0 FGADHM CCc1cnc(C[N-]S(=O)(=O)c2ccc(OCc3ccccc3)cc2)o1 ZINC000480880085 502696942 /nfs/dbraw/zinc/69/69/42/502696942.db2.gz IBZMXOCYSBQBQC-UHFFFAOYSA-N -1 3 372.446 3.295 20 0 FGADHM CC(C)(C)N=c1[n-]nc([C@H]2CCO[C@@H]2C(C)(C)C)n1C[C@@H]1CCCCO1 ZINC000463104662 502696939 /nfs/dbraw/zinc/69/69/39/502696939.db2.gz KNESZRVRQCTXNV-JYJNAYRXSA-N -1 3 364.534 3.398 20 0 FGADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N1CCCC[C@H]1c1ccc(F)cc1 ZINC000484655970 502698981 /nfs/dbraw/zinc/69/89/81/502698981.db2.gz RTCKLUYHBRDCLS-KRWDZBQOSA-N -1 3 367.380 3.468 20 0 FGADHM CN(Cc1cc(=O)c([O-])co1)Cc1ccc(Br)cc1Cl ZINC000484660246 502699658 /nfs/dbraw/zinc/69/96/58/502699658.db2.gz ZALAVCXFRLMECO-UHFFFAOYSA-N -1 3 358.619 3.393 20 0 FGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](C)C(=O)OC(C)(C)C)c1Cl ZINC000477190573 502703695 /nfs/dbraw/zinc/70/36/95/502703695.db2.gz KYPLYMBSKWVFJX-SECBINFHSA-N -1 3 368.282 3.310 20 0 FGADHM O=C(CC1(O)CCCC1)Nc1n[n-]c(-c2cc(Cl)ccc2Cl)n1 ZINC000463160136 502709035 /nfs/dbraw/zinc/70/90/35/502709035.db2.gz IEYRUDPAKICMQM-UHFFFAOYSA-N -1 3 355.225 3.412 20 0 FGADHM Cc1cc2c(cc1C)OC(=C([O-])Nc1nc(-c3ccccc3)ns1)C2 ZINC000463181667 502713465 /nfs/dbraw/zinc/71/34/65/502713465.db2.gz QMVOZXRDGRYHNP-MRXNPFEDSA-N -1 3 351.431 3.186 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]c2cc(-c3nc[nH]n3)ccc2F)c(C)s1 ZINC000470257093 502717853 /nfs/dbraw/zinc/71/78/53/502717853.db2.gz YUQPJNGBNDJXEF-UHFFFAOYSA-N -1 3 352.416 3.090 20 0 FGADHM CO[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(-c3csc(C)n3)s2)C1(C)C ZINC000480992398 502721686 /nfs/dbraw/zinc/72/16/86/502721686.db2.gz OFOCLYUBQIJWLQ-QWHCGFSZSA-N -1 3 372.537 3.272 20 0 FGADHM CCS[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC000480994124 502722923 /nfs/dbraw/zinc/72/29/23/502722923.db2.gz WPTGYKPWSYEBAD-GHMZBOCLSA-N -1 3 354.419 3.053 20 0 FGADHM Cc1cn(-c2ccccc2Cl)nc1C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000473852475 502724857 /nfs/dbraw/zinc/72/48/57/502724857.db2.gz BKNGRSGQHVJKPN-OAHLLOKOSA-N -1 3 371.828 3.083 20 0 FGADHM Cc1ccc(C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)cc1Oc1ccncc1 ZINC000473854118 502726626 /nfs/dbraw/zinc/72/66/26/502726626.db2.gz YDEMFCUCOMHATA-KRWDZBQOSA-N -1 3 364.405 3.431 20 0 FGADHM CC[C@H](CCO)C[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000481010387 502727475 /nfs/dbraw/zinc/72/74/75/502727475.db2.gz UZKSUGPCCDBUFK-LLVKDONJSA-N -1 3 374.915 3.150 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]C[C@@H]2CCCC[C@@H]2C(F)(F)F)c(F)c1 ZINC000481039421 502736432 /nfs/dbraw/zinc/73/64/32/502736432.db2.gz PYNCHEVGCCUEIL-JQWIXIFHSA-N -1 3 369.380 3.481 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]C[C@@H](c2ccsc2)N(C)C)sc1Cl ZINC000473917644 502748376 /nfs/dbraw/zinc/74/83/76/502748376.db2.gz HDSNJUQLJNFJQQ-NSHDSACASA-N -1 3 364.945 3.353 20 0 FGADHM Cc1ncc(CNC(=O)N[C@H](C)c2cc(Cl)ccc2Cl)c(=O)[n-]1 ZINC000488560607 502750325 /nfs/dbraw/zinc/75/03/25/502750325.db2.gz CUKCEYNDMNXQDX-MRVPVSSYSA-N -1 3 355.225 3.358 20 0 FGADHM CCc1ccc([C@H]2CCCCCN2C(=O)c2cc(=O)[n-]c(N(C)C)n2)o1 ZINC000463321469 502756066 /nfs/dbraw/zinc/75/60/66/502756066.db2.gz PSURLAXNUHXLJD-OAHLLOKOSA-N -1 3 358.442 3.161 20 0 FGADHM COC(=O)c1cccc(CC[N-]S(=O)(=O)c2cc(C)c(Cl)s2)c1 ZINC000473939764 502756772 /nfs/dbraw/zinc/75/67/72/502756772.db2.gz JVRADVJPDCKGDZ-UHFFFAOYSA-N -1 3 373.883 3.018 20 0 FGADHM C[C@@H](CCc1cccn1C)NC(=O)Cc1ccc(Br)cc1[O-] ZINC000477371280 502757013 /nfs/dbraw/zinc/75/70/13/502757013.db2.gz GZEWWRLELRMPKE-LBPRGKRZSA-N -1 3 365.271 3.173 20 0 FGADHM Cc1cc(S(=O)(=O)[N-][C@H]2CCN(C)[C@@H]2c2ccccc2)sc1Cl ZINC000473951793 502760230 /nfs/dbraw/zinc/76/02/30/502760230.db2.gz OOBRVNTUYQETAD-DZGCQCFKSA-N -1 3 370.927 3.434 20 0 FGADHM COc1ccc(-c2nnc([N-]C(=O)c3cn4cc(C)nc4s3)s2)cc1 ZINC000477391244 502761960 /nfs/dbraw/zinc/76/19/60/502761960.db2.gz MDIHBOCTQGLFDD-UHFFFAOYSA-N -1 3 371.447 3.484 20 0 FGADHM CN(C)c1nc(C(=O)N2CCCCC[C@H]2/C=C/c2ccccc2)cc(=O)[n-]1 ZINC000463338237 502764171 /nfs/dbraw/zinc/76/41/71/502764171.db2.gz XEZZHSLFNJGNDF-UJGDBWEASA-N -1 3 366.465 3.346 20 0 FGADHM O=C(Cc1cccc(F)c1F)NCc1ccc([O-])c(Br)c1 ZINC000488663114 502777021 /nfs/dbraw/zinc/77/70/21/502777021.db2.gz DHFAWVCROVBBCQ-UHFFFAOYSA-N -1 3 356.166 3.292 20 0 FGADHM COc1cc(C(=O)NCc2ccc([O-])c(Br)c2)ccc1F ZINC000488667056 502778374 /nfs/dbraw/zinc/77/83/74/502778374.db2.gz QEZKDWCMTAXRDF-UHFFFAOYSA-N -1 3 354.175 3.232 20 0 FGADHM CCSc1cccc(F)c1[N-]C(=O)c1ccc2c(c1)C(=O)N(C)C2=O ZINC000484924990 502778749 /nfs/dbraw/zinc/77/87/49/502778749.db2.gz KBUJKLSKCDEPLZ-UHFFFAOYSA-N -1 3 358.394 3.416 20 0 FGADHM CC(C)(C)Oc1ccc(NC(=O)NCc2nnc(C(F)(F)F)[n-]2)cc1 ZINC000481225176 502789124 /nfs/dbraw/zinc/78/91/24/502789124.db2.gz XQNKTFBXDISXGE-UHFFFAOYSA-N -1 3 357.336 3.323 20 0 FGADHM CC(C)(C)Oc1ccc(NC(=O)NCc2n[n-]c(C(F)(F)F)n2)cc1 ZINC000481225176 502789126 /nfs/dbraw/zinc/78/91/26/502789126.db2.gz XQNKTFBXDISXGE-UHFFFAOYSA-N -1 3 357.336 3.323 20 0 FGADHM CC(C)(C)Oc1ccc(NC(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000481225176 502789129 /nfs/dbraw/zinc/78/91/29/502789129.db2.gz XQNKTFBXDISXGE-UHFFFAOYSA-N -1 3 357.336 3.323 20 0 FGADHM CCN(C(=O)c1ccc([N-]S(C)(=O)=O)cc1)[C@H](C)c1ccc(F)cc1 ZINC000488721879 502790414 /nfs/dbraw/zinc/79/04/14/502790414.db2.gz DEFSJBZBTAAKIH-CYBMUJFWSA-N -1 3 364.442 3.421 20 0 FGADHM COC(=O)c1cc(Cl)cc(NC(=O)c2cnc(C(C)(C)C)nc2)c1[O-] ZINC000588774668 506334602 /nfs/dbraw/zinc/33/46/02/506334602.db2.gz MANXLUWHVQMNKK-UHFFFAOYSA-N -1 3 363.801 3.172 20 0 FGADHM CCn1cnc(S(=O)(=O)[N-][C@H](C)C(c2ccccc2)c2ccccc2)c1 ZINC000474063329 502796079 /nfs/dbraw/zinc/79/60/79/502796079.db2.gz ZMUBAJLASXAHRT-MRXNPFEDSA-N -1 3 369.490 3.402 20 0 FGADHM Cc1ccc(-c2cccnc2)cc1NC(=O)CNC(=O)c1cccc([O-])c1 ZINC000477525443 502798851 /nfs/dbraw/zinc/79/88/51/502798851.db2.gz MXTJABWMAXGQIA-UHFFFAOYSA-N -1 3 361.401 3.131 20 0 FGADHM CC(C)Cn1cnc(S(=O)(=O)[N-][C@H]2CC[C@@H](c3cccc(F)c3)C2)c1 ZINC000481265410 502801121 /nfs/dbraw/zinc/80/11/21/502801121.db2.gz VZYCDXNIYYKOID-WBVHZDCISA-N -1 3 365.474 3.293 20 0 FGADHM CSc1nnc(NC(=O)[C@@H](C)Cc2ccc(F)c(Br)c2)[n-]1 ZINC000481266500 502801917 /nfs/dbraw/zinc/80/19/17/502801917.db2.gz ZBSVACQEEDSSAW-ZETCQYMHSA-N -1 3 373.251 3.246 20 0 FGADHM CSc1n[n-]c(NC(=O)[C@@H](C)Cc2ccc(F)c(Br)c2)n1 ZINC000481266500 502801919 /nfs/dbraw/zinc/80/19/19/502801919.db2.gz ZBSVACQEEDSSAW-ZETCQYMHSA-N -1 3 373.251 3.246 20 0 FGADHM CSc1nc(NC(=O)[C@@H](C)Cc2ccc(F)c(Br)c2)n[n-]1 ZINC000481266500 502801921 /nfs/dbraw/zinc/80/19/21/502801921.db2.gz ZBSVACQEEDSSAW-ZETCQYMHSA-N -1 3 373.251 3.246 20 0 FGADHM COc1ccccc1OCC(=O)Nc1nnc(-c2cc3ccccc3o2)[n-]1 ZINC000485109736 502816158 /nfs/dbraw/zinc/81/61/58/502816158.db2.gz ZVDSYKWNLDDLFI-UHFFFAOYSA-N -1 3 364.361 3.244 20 0 FGADHM COc1ccccc1OCC(=O)Nc1nc(-c2cc3ccccc3o2)n[n-]1 ZINC000485109736 502816160 /nfs/dbraw/zinc/81/61/60/502816160.db2.gz ZVDSYKWNLDDLFI-UHFFFAOYSA-N -1 3 364.361 3.244 20 0 FGADHM COc1ccccc1OCC(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000485109736 502816161 /nfs/dbraw/zinc/81/61/61/502816161.db2.gz ZVDSYKWNLDDLFI-UHFFFAOYSA-N -1 3 364.361 3.244 20 0 FGADHM CN(C)[C@@H](C(=O)Nc1nnc(-c2cc3ccccc3o2)[n-]1)c1ccccc1 ZINC000485109230 502816179 /nfs/dbraw/zinc/81/61/79/502816179.db2.gz XMNCGNLXNHCIDN-QGZVFWFLSA-N -1 3 361.405 3.459 20 0 FGADHM CN(C)[C@@H](C(=O)Nc1nc(-c2cc3ccccc3o2)n[n-]1)c1ccccc1 ZINC000485109230 502816180 /nfs/dbraw/zinc/81/61/80/502816180.db2.gz XMNCGNLXNHCIDN-QGZVFWFLSA-N -1 3 361.405 3.459 20 0 FGADHM CN(C)[C@@H](C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1)c1ccccc1 ZINC000485109230 502816182 /nfs/dbraw/zinc/81/61/82/502816182.db2.gz XMNCGNLXNHCIDN-QGZVFWFLSA-N -1 3 361.405 3.459 20 0 FGADHM COc1ccc(CN(C)C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)cc1OC ZINC000588780126 506336181 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368.405 3.170 20 0 FGADHM CCn1cc(S(=O)(=O)[N-]C2(c3ccc(F)cc3)CCCC2)nc1C ZINC000502444634 503201494 /nfs/dbraw/zinc/20/14/94/503201494.db2.gz OIJOJULWSRCPQB-UHFFFAOYSA-N -1 3 351.447 3.098 20 0 FGADHM COc1nnc(NC(=O)c2sc(C(C)(C)c3ccccc3)nc2C)[n-]1 ZINC000490661955 503211518 /nfs/dbraw/zinc/21/15/18/503211518.db2.gz RRCNOQAFANAJPH-UHFFFAOYSA-N -1 3 357.439 3.156 20 0 FGADHM COc1nc(NC(=O)c2sc(C(C)(C)c3ccccc3)nc2C)n[n-]1 ZINC000490661955 503211522 /nfs/dbraw/zinc/21/15/22/503211522.db2.gz RRCNOQAFANAJPH-UHFFFAOYSA-N -1 3 357.439 3.156 20 0 FGADHM COc1n[n-]c(NC(=O)c2sc(C(C)(C)c3ccccc3)nc2C)n1 ZINC000490661955 503211524 /nfs/dbraw/zinc/21/15/24/503211524.db2.gz RRCNOQAFANAJPH-UHFFFAOYSA-N -1 3 357.439 3.156 20 0 FGADHM CCc1ncnc(CC)c1C(=O)Nc1cc(Br)ccc1[O-] ZINC000490673929 503211951 /nfs/dbraw/zinc/21/19/51/503211951.db2.gz RCFNQLBIFKONTL-UHFFFAOYSA-N -1 3 350.216 3.322 20 0 FGADHM COC(=O)c1cnc(C(=O)[N-]c2nc3c(ccc4ccccc34)s2)cn1 ZINC000502522223 503217114 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FGADHM COC(=O)c1cccc2nc(NC(=O)COC/C=C\c3ccccc3)[n-]c21 ZINC000494127489 503492394 /nfs/dbraw/zinc/49/23/94/503492394.db2.gz LCLHRSHBKAWOFO-TWGQIWQCSA-N -1 3 365.389 3.018 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)COC/C=C\c3ccccc3)nc21 ZINC000494127489 503492398 /nfs/dbraw/zinc/49/23/98/503492398.db2.gz LCLHRSHBKAWOFO-TWGQIWQCSA-N -1 3 365.389 3.018 20 0 FGADHM NC(=O)C[C@@H](NC(=O)c1c[n-]nc1-c1ccc(Cl)s1)c1ccccc1 ZINC000512272355 503504238 /nfs/dbraw/zinc/50/42/38/503504238.db2.gz SSTLBABVRZESAU-GFCCVEGCSA-N -1 3 374.853 3.138 20 0 FGADHM C[C@@H](NC(=O)c1cc(F)cc2nn[n-]c21)c1ccc(OC(F)(F)F)cc1 ZINC000503991337 503506247 /nfs/dbraw/zinc/50/62/47/503506247.db2.gz FQBVVWHHKJWKPQ-MRVPVSSYSA-N -1 3 368.290 3.487 20 0 FGADHM C[C@@H](NC(=O)c1cc(F)cc2[n-]nnc21)c1ccc(OC(F)(F)F)cc1 ZINC000503991337 503506252 /nfs/dbraw/zinc/50/62/52/503506252.db2.gz FQBVVWHHKJWKPQ-MRVPVSSYSA-N -1 3 368.290 3.487 20 0 FGADHM C[C@@H](NC(=O)c1cc(F)cc2n[n-]nc21)c1ccc(OC(F)(F)F)cc1 ZINC000503991337 503506254 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Cc1cccc(S(=O)(=O)[N-]Cc2cccc(OCC(F)F)c2)c1F ZINC000543792543 503895312 /nfs/dbraw/zinc/89/53/12/503895312.db2.gz WILDTFYUOCOIQW-UHFFFAOYSA-N -1 3 359.369 3.257 20 0 FGADHM O=C(c1c([O-])cccc1O)N1CCC(Cc2nc(C3CCCC3)no2)CC1 ZINC000530265587 503902794 /nfs/dbraw/zinc/90/27/94/503902794.db2.gz OPEVRNFDLVLPED-UHFFFAOYSA-N -1 3 371.437 3.233 20 0 FGADHM CCOCc1nc(C)c(C(=O)N=c2[nH][n-]c(C)c2-c2ccc(F)cc2)s1 ZINC000530275896 503905212 /nfs/dbraw/zinc/90/52/12/503905212.db2.gz DJLIXODVNQVIFW-UHFFFAOYSA-N -1 3 374.441 3.500 20 0 FGADHM COc1cc(Cl)ccc1C[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000518087110 503906068 /nfs/dbraw/zinc/90/60/68/503906068.db2.gz OCEUYGFXLQODHH-UHFFFAOYSA-N -1 3 365.760 3.244 20 0 FGADHM O=S(=O)([N-][C@H]1C[C@@H]1c1cccc(Br)c1)c1cccs1 ZINC000518089765 503906222 /nfs/dbraw/zinc/90/62/22/503906222.db2.gz IXFIJRLTNWOUJD-NEPJUHHUSA-N -1 3 358.282 3.345 20 0 FGADHM O=C(Nc1ccc(Br)cc1[O-])[C@@H]1CCCN1c1nccs1 ZINC000543864294 503920687 /nfs/dbraw/zinc/92/06/87/503920687.db2.gz 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ZINC000540961413 503956089 /nfs/dbraw/zinc/95/60/89/503956089.db2.gz JLLKCZLHDZSDSO-UHFFFAOYSA-N -1 3 353.846 3.359 20 0 FGADHM CC(C)Cn1c(=O)[n-]c(=O)c2c(-c3nc(C4CC4)no3)cc(C(C)C)nc21 ZINC000547026158 503959682 /nfs/dbraw/zinc/95/96/82/503959682.db2.gz MDVCKBAESGTUIG-UHFFFAOYSA-N -1 3 369.425 3.204 20 0 FGADHM Cc1nc(-c2ccc(NC(=O)N(C)C[C@H]3CCCC[C@H]3O)cc2)cc(=O)[n-]1 ZINC000537598248 503968660 /nfs/dbraw/zinc/96/86/60/503968660.db2.gz CZPOBHWXHHGZQK-CRAIPNDOSA-N -1 3 370.453 3.172 20 0 FGADHM O=C([N-]c1nnc(CC(F)(F)F)s1)c1cncnc1-c1ccccc1 ZINC000544011246 503970893 /nfs/dbraw/zinc/97/08/93/503970893.db2.gz WNHPAOXLBJNLIU-UHFFFAOYSA-N -1 3 365.340 3.352 20 0 FGADHM C[C@]1(c2cccc(-c3noc(CCC4CCCCC4)n3)c2)NC(=O)[N-]C1=O ZINC000547066183 503972182 /nfs/dbraw/zinc/97/21/82/503972182.db2.gz IPHJTAYCJCLEQM-HXUWFJFHSA-N -1 3 368.437 3.304 20 0 FGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2c3ccccc3C[C@@H]2O)c1Cl ZINC000533883880 503980423 /nfs/dbraw/zinc/98/04/23/503980423.db2.gz 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C[C@H]1C[C@@H]1c1noc(-c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)n1 ZINC000547182133 504011993 /nfs/dbraw/zinc/01/19/93/504011993.db2.gz LZOHBEMIVKROLK-ONGXEEELSA-N -1 3 362.386 3.128 20 0 FGADHM CO[C@@H](c1ccc(F)cc1)[C@@H](C)[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000537742649 504024316 /nfs/dbraw/zinc/02/43/16/504024316.db2.gz LTIWMRHLWCWTFL-QLJPJBMISA-N -1 3 359.369 3.158 20 0 FGADHM C[C@H](CNC(=O)N=c1nc(-c2ccccc2)[n-]s1)N1CCCC[C@@H]1C ZINC000530625570 504030650 /nfs/dbraw/zinc/03/06/50/504030650.db2.gz RZAVQIWIZUSSPH-UONOGXRCSA-N -1 3 359.499 3.011 20 0 FGADHM O=C(Cc1ccc([O-])cc1Cl)NCCOc1cccc(C(F)(F)F)n1 ZINC000534076422 504033514 /nfs/dbraw/zinc/03/35/14/504033514.db2.gz QNNLZLCLWYTLRH-UHFFFAOYSA-N -1 3 374.746 3.197 20 0 FGADHM O=S(=O)([N-][C@H]1CCO[C@H]1C1CC1)c1c(Cl)ccc2ccccc21 ZINC000534083265 504035433 /nfs/dbraw/zinc/03/54/33/504035433.db2.gz FVKPIENCOHNZFP-HOTGVXAUSA-N -1 3 351.855 3.339 20 0 FGADHM CC(C)Oc1ccc(CNC(=O)c2cc([O-])cc(Br)c2)cn1 ZINC000528010634 504039521 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20 0 FGADHM Cc1cc(C)n(CCN(CC(=O)[O-])Cc2ccc(C(F)(F)F)cc2)n1 ZINC000519759475 504330261 /nfs/dbraw/zinc/33/02/61/504330261.db2.gz NODOKSAXIJJEJI-UHFFFAOYSA-N -1 3 355.360 3.106 20 0 FGADHM CCOc1ccccc1-c1cccc(C(=O)N=c2cc(OC)n(C)[n-]2)c1 ZINC000548143488 504346538 /nfs/dbraw/zinc/34/65/38/504346538.db2.gz SVKLFWQNACJWRW-UHFFFAOYSA-N -1 3 351.406 3.169 20 0 FGADHM CCCn1c(=O)[n-]c(=O)c2c(-c3nc([C@H]4C[C@@H]4C)no3)cc(C(C)C)nc21 ZINC000545069545 504348405 /nfs/dbraw/zinc/34/84/05/504348405.db2.gz XJYVZKNILXXPSE-QWRGUYRKSA-N -1 3 369.425 3.204 20 0 FGADHM CC[C@H](C)Oc1cc(C)ccc1CNC(=O)c1c[n-]c2ccncc2c1=O ZINC000519810449 504348735 /nfs/dbraw/zinc/34/87/35/504348735.db2.gz WSQFBJHEZPTDNK-AWEZNQCLSA-N -1 3 365.433 3.339 20 0 FGADHM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(OCCO)c(C)c1 ZINC000542050812 504350323 /nfs/dbraw/zinc/35/03/23/504350323.db2.gz JROOSHSYLYMXBB-UHFFFAOYSA-N -1 3 355.843 3.129 20 0 FGADHM CCc1cccc(C(=O)N[C@H](c2cnn(C)c2)c2ccc(F)cc2)c1[O-] ZINC000548156131 504350668 /nfs/dbraw/zinc/35/06/68/504350668.db2.gz PISRRJDWBJGUAF-SFHVURJKSA-N -1 3 353.397 3.347 20 0 FGADHM O=S(=O)([N-]CCc1cnc(C2CC2)nc1)c1c(Cl)cccc1Cl ZINC000535139956 504353665 /nfs/dbraw/zinc/35/36/65/504353665.db2.gz BRXXERDWWHQNAY-UHFFFAOYSA-N -1 3 372.277 3.182 20 0 FGADHM CCc1ccc([O-])c(C(=O)N(CC(=O)OC)Cc2ccc(F)c(F)c2)c1 ZINC000538745423 504355105 /nfs/dbraw/zinc/35/51/05/504355105.db2.gz SXKRTTNMBCNCDA-UHFFFAOYSA-N -1 3 363.360 3.048 20 0 FGADHM CCc1ccc([O-])c(C(=O)N[C@@H](CN2CCCC2=O)c2ccccc2)c1 ZINC000538744123 504355551 /nfs/dbraw/zinc/35/55/51/504355551.db2.gz MZKTUXWYRRFBOA-SFHVURJKSA-N -1 3 352.434 3.048 20 0 FGADHM COc1cc(-c2ccccc2)sc1C(=O)N1CCc2c(nc[n-]c2=O)C1 ZINC000519841107 504360419 /nfs/dbraw/zinc/36/04/19/504360419.db2.gz CAMMREMYZBZIDR-UHFFFAOYSA-N -1 3 367.430 3.118 20 0 FGADHM COc1ccnc2c(NC(=O)c3cc(OC)c([O-])c(OC)c3)cccc12 ZINC000545140373 504371451 /nfs/dbraw/zinc/37/14/51/504371451.db2.gz BMQFUCKNXLTIHF-UHFFFAOYSA-N -1 3 354.362 3.219 20 0 FGADHM COC(=O)c1cc(C(=O)[N-]c2nc(-c3ccccc3Cl)cs2)no1 ZINC000538834988 504386571 /nfs/dbraw/zinc/38/65/71/504386571.db2.gz OBVNLQXNSATURM-UHFFFAOYSA-N -1 3 363.782 3.490 20 0 FGADHM Cc1ccc(C[N-]S(=O)(=O)c2cccc(Br)c2F)s1 ZINC000542176850 504393586 /nfs/dbraw/zinc/39/35/86/504393586.db2.gz LSTPMEDELLTJDW-UHFFFAOYSA-N -1 3 364.261 3.437 20 0 FGADHM Cc1ccc([C@H]2CCCCCN2C(=O)N=c2cc(OC(F)F)n(C)[n-]2)o1 ZINC000548327679 504400879 /nfs/dbraw/zinc/40/08/79/504400879.db2.gz KRJUVSSRMRSMCR-GFCCVEGCSA-N -1 3 368.384 3.494 20 0 FGADHM CCCN(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1C ZINC000520092597 504410308 /nfs/dbraw/zinc/41/03/08/504410308.db2.gz YURNCOHKJMFUJB-UHFFFAOYSA-N -1 3 364.442 3.417 20 0 FGADHM CCOc1ccccc1CNC(=O)Cc1ccc(Br)cc1[O-] ZINC000548401620 504431387 /nfs/dbraw/zinc/43/13/87/504431387.db2.gz PXQMURZRAYPBBE-UHFFFAOYSA-N -1 3 364.239 3.412 20 0 FGADHM O=C(c1cc([O-])cc(Br)c1)N1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000528882311 504431554 /nfs/dbraw/zinc/43/15/54/504431554.db2.gz URWJSRUGAATVOD-VXGBXAGGSA-N -1 3 354.244 3.043 20 0 FGADHM CCc1ccc([O-])c(C(=O)NCC2(c3ccc(OC)cc3)CCOCC2)c1 ZINC000520229863 504442032 /nfs/dbraw/zinc/44/20/32/504442032.db2.gz TWLZPZXXTFJYGE-UHFFFAOYSA-N -1 3 369.461 3.441 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)c1cccc(Br)c1F)c1ccncc1 ZINC000542314588 504448313 /nfs/dbraw/zinc/44/83/13/504448313.db2.gz MMNGYYAVUKDJDT-LBPRGKRZSA-N -1 3 373.247 3.413 20 0 FGADHM O=C([C@H]1CCCn2cc(C(F)(F)F)nc21)N1CCCc2cccc([O-])c21 ZINC000528939576 504460122 /nfs/dbraw/zinc/46/01/22/504460122.db2.gz WGGRIKYRPQPVHJ-LBPRGKRZSA-N -1 3 365.355 3.464 20 0 FGADHM Cc1nnc([C@@H](C)[N-]S(=O)(=O)Cc2c(Cl)cccc2Cl)s1 ZINC000545370410 504464168 /nfs/dbraw/zinc/46/41/68/504464168.db2.gz WFENSMJVDSCZGJ-SSDOTTSWSA-N -1 3 366.295 3.334 20 0 FGADHM CCOC(=O)c1ccc(NC(=O)c2sccc2OC(F)F)c([O-])c1 ZINC000535540970 504465110 /nfs/dbraw/zinc/46/51/10/504465110.db2.gz AGUJVYKFHPIHCN-UHFFFAOYSA-N -1 3 357.334 3.484 20 0 FGADHM CCc1ccc(-c2nc(CC(=O)Nc3nnc(SC)[n-]3)cs2)cc1 ZINC000520341205 504471275 /nfs/dbraw/zinc/47/12/75/504471275.db2.gz VQSBNMFTMPFZLG-UHFFFAOYSA-N -1 3 359.480 3.394 20 0 FGADHM CCc1ccc(-c2nc(CC(=O)Nc3nc(SC)n[n-]3)cs2)cc1 ZINC000520341205 504471280 /nfs/dbraw/zinc/47/12/80/504471280.db2.gz VQSBNMFTMPFZLG-UHFFFAOYSA-N -1 3 359.480 3.394 20 0 FGADHM CCc1ccc(-c2nc(CC(=O)Nc3n[n-]c(SC)n3)cs2)cc1 ZINC000520341205 504471284 /nfs/dbraw/zinc/47/12/84/504471284.db2.gz VQSBNMFTMPFZLG-UHFFFAOYSA-N -1 3 359.480 3.394 20 0 FGADHM C[C@@H]1C[C@@H]1C[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000548620970 504499685 /nfs/dbraw/zinc/49/96/85/504499685.db2.gz AQJPBBOBSKMOCJ-UMVBOHGHSA-N -1 3 373.902 3.222 20 0 FGADHM C[C@H]1CN(Cc2ccc(C(=O)Nc3ccc(F)cc3[O-])cc2)C[C@H](C)O1 ZINC000532012649 504504753 /nfs/dbraw/zinc/50/47/53/504504753.db2.gz FNQVSOPVTYPPKS-KBPBESRZSA-N -1 3 358.413 3.393 20 0 FGADHM O=C([O-])[C@@H](Cc1ccc(OC(F)F)cc1)NCc1ccc(F)cc1F ZINC000520482325 504509899 /nfs/dbraw/zinc/50/98/99/504509899.db2.gz ZYOJBVNJQLDWLA-OAHLLOKOSA-N -1 3 357.303 3.352 20 0 FGADHM Cc1c(C(=O)Nc2ccc(Br)cc2[O-])sc2nccn12 ZINC000535717022 504517475 /nfs/dbraw/zinc/51/74/75/504517475.db2.gz AXKVJBACPMLSCA-UHFFFAOYSA-N -1 3 352.213 3.425 20 0 FGADHM COc1ccc(CN2CC[C@@H]([C@H]3CCOC3)C2)c(Br)c1[O-] ZINC000545549183 504522964 /nfs/dbraw/zinc/52/29/64/504522964.db2.gz HDKXYCHZHMKJBT-YPMHNXCESA-N -1 3 356.260 3.022 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-][C@H](COCC(C)C)c2ccco2)c(F)c1 ZINC000520558196 504528275 /nfs/dbraw/zinc/52/82/75/504528275.db2.gz PMTDHLAXIPPRLM-OAHLLOKOSA-N -1 3 355.431 3.419 20 0 FGADHM CCc1cccc(C(=O)N(C)C2CCN(C(=O)c3ccccc3)CC2)c1[O-] ZINC000535795231 504546739 /nfs/dbraw/zinc/54/67/39/504546739.db2.gz KJFLRYAYOXHEGA-UHFFFAOYSA-N -1 3 366.461 3.331 20 0 FGADHM CC[C@H](Cc1nc(-c2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)no1)C(C)C ZINC000545655690 504553985 /nfs/dbraw/zinc/55/39/85/504553985.db2.gz BPTTWBSFVQLDME-CWTRNNRKSA-N -1 3 356.426 3.016 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N2CCc3cccc(F)c3[C@H]2C)c([O-])c1 ZINC000542657367 504566743 /nfs/dbraw/zinc/56/67/43/504566743.db2.gz ZUNNLUQXOWRUPD-CQSZACIVSA-N -1 3 370.424 3.106 20 0 FGADHM Cc1ccc([O-])c(-c2nc(-c3ccccc3N3CCN(C)CC3)no2)c1 ZINC000545709734 504569732 /nfs/dbraw/zinc/56/97/32/504569732.db2.gz DEUFBQKYBPTNQX-UHFFFAOYSA-N -1 3 350.422 3.169 20 0 FGADHM CCc1ccc(O)c(NC(=O)c2c[n-]c3cc(F)c(OC)cc3c2=O)c1 ZINC000539489380 504587447 /nfs/dbraw/zinc/58/74/47/504587447.db2.gz ZAXNZTDYTRVBKM-UHFFFAOYSA-N -1 3 356.353 3.196 20 0 FGADHM CC(C)CC[C@H](NCC1=Nc2ccccc2S(=O)(=O)[N-]1)C(C)(C)C ZINC000539490438 504587955 /nfs/dbraw/zinc/58/79/55/504587955.db2.gz BIXOEGZIFDQSPL-INIZCTEOSA-N -1 3 351.516 3.449 20 0 FGADHM O=C(N=c1nc(-c2cccc(Cl)c2)[n-]s1)N[C@@H]1CCCc2cn[nH]c21 ZINC000542728768 504589485 /nfs/dbraw/zinc/58/94/85/504589485.db2.gz MFDJLYGEWANBNR-GFCCVEGCSA-N -1 3 374.857 3.203 20 0 FGADHM CC(C)(C)OCc1cc(CNc2c(C(=O)[O-])cnc3ccccc32)no1 ZINC000520818578 504589793 /nfs/dbraw/zinc/58/97/93/504589793.db2.gz TWKRVXHYANGRQI-UHFFFAOYSA-N -1 3 355.394 3.270 20 0 FGADHM CCc1ccc([O-])c(C(=O)Nc2cn(CC)cc(Br)c2=O)c1 ZINC000542740134 504591970 /nfs/dbraw/zinc/59/19/70/504591970.db2.gz PSZKEAKYMVRUBZ-UHFFFAOYSA-N -1 3 365.227 3.151 20 0 FGADHM CCS[C@H](C)c1noc([C@@H](C)[N-]S(=O)(=O)c2ccc(C)cc2)n1 ZINC000545780463 504593302 /nfs/dbraw/zinc/59/33/02/504593302.db2.gz WECZZESIYFPRFC-VXGBXAGGSA-N -1 3 355.485 3.232 20 0 FGADHM Cn1ccnc1[C@@H](NC(=O)Cc1ccc([O-])cc1Cl)c1ccccc1 ZINC000532274754 504595041 /nfs/dbraw/zinc/59/50/41/504595041.db2.gz HVCHJGZOVFUJGQ-SFHVURJKSA-N -1 3 355.825 3.227 20 0 FGADHM Cc1ccc(-c2cncc(F)c2)cc1[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000548861364 504596496 /nfs/dbraw/zinc/59/64/96/504596496.db2.gz WJSYQMVVEOWEQX-MRXNPFEDSA-N -1 3 350.415 3.117 20 0 FGADHM CCOc1cc(C(=O)N[C@H]2CN(C)C[C@H]2c2ccccc2)cc(Cl)c1[O-] ZINC000545842484 504611011 /nfs/dbraw/zinc/61/10/11/504611011.db2.gz HBHNCUFUFBCGAN-RDJZCZTQSA-N -1 3 374.868 3.272 20 0 FGADHM Cc1cc(C(=O)N=c2cc(-c3ccncc3)[n-][nH]2)nn1C1CCCCC1 ZINC000539580978 504615863 /nfs/dbraw/zinc/61/58/63/504615863.db2.gz CXOSTSLGAGVQCM-UHFFFAOYSA-N -1 3 350.426 3.156 20 0 FGADHM Cc1ccc(-c2cncc(F)c2)cc1NC(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000548922605 504621801 /nfs/dbraw/zinc/62/18/01/504621801.db2.gz RFSKOQUDDQTNQN-UHFFFAOYSA-N -1 3 367.384 3.010 20 0 FGADHM CCC[C@H](CC)NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000520981764 504622134 /nfs/dbraw/zinc/62/21/34/504622134.db2.gz BUJWIVYHFLEQFH-LBPRGKRZSA-N -1 3 367.446 3.263 20 0 FGADHM O=S(=O)([N-]c1ccc(F)cc1Br)c1cncc(Cl)c1 ZINC000536080994 504626595 /nfs/dbraw/zinc/62/65/95/504626595.db2.gz OATRCDLDEGPPQI-UHFFFAOYSA-N -1 3 365.611 3.437 20 0 FGADHM O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2CN1Cc1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC000521056330 504639069 /nfs/dbraw/zinc/63/90/69/504639069.db2.gz ZHOWYNSZMBYXDS-PSGMQZRDSA-N -1 3 369.440 3.185 20 0 FGADHM Cc1ccc(F)c(S(=O)(=O)[N-][C@@H](CN(C)C)c2ccc(Cl)cc2)c1 ZINC000548982459 504644779 /nfs/dbraw/zinc/64/47/79/504644779.db2.gz SYAFTKRUIDTSBJ-INIZCTEOSA-N -1 3 370.877 3.369 20 0 FGADHM C[C@H](O)C[C@H]1CCCCCN1C(=O)c1cc([O-])cc(Br)c1 ZINC000529364433 504646159 /nfs/dbraw/zinc/64/61/59/504646159.db2.gz JLQTZHRIVTUZTE-SMDDNHRTSA-N -1 3 356.260 3.310 20 0 FGADHM O=C(NCc1cccc(Cl)c1Cl)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000521150207 504661777 /nfs/dbraw/zinc/66/17/77/504661777.db2.gz NPARPIIMNPOSSI-UHFFFAOYSA-N -1 3 364.188 3.199 20 0 FGADHM O=S(=O)([N-]CC(C1CC1)C1CC1)c1cc(F)ccc1Br ZINC000532497485 504671587 /nfs/dbraw/zinc/67/15/87/504671587.db2.gz JHFOYRFKFJTQHS-UHFFFAOYSA-N -1 3 362.264 3.303 20 0 FGADHM O=C(NC1(c2cccc(Br)c2)CCC1)c1csc(=O)[n-]1 ZINC000546016280 504675078 /nfs/dbraw/zinc/67/50/78/504675078.db2.gz KJIYIFHZXUIIPB-UHFFFAOYSA-N -1 3 353.241 3.420 20 0 FGADHM Cc1ccccc1CN1CCC(N=c2[n-]nc(C3CCOCC3)s2)CC1 ZINC000549109491 504689130 /nfs/dbraw/zinc/68/91/30/504689130.db2.gz ZPATXRMIOFVXDE-UHFFFAOYSA-N -1 3 372.538 3.239 20 0 FGADHM O=C([N-]c1nnc(-c2ccccc2Cl)s1)c1cnc2nccnc2c1 ZINC000546063102 504695436 /nfs/dbraw/zinc/69/54/36/504695436.db2.gz PYPHPPFWZJSZQB-UHFFFAOYSA-N -1 3 368.809 3.449 20 0 FGADHM CSc1cccc(N2C[C@@H](C(=O)Nc3ccc([O-])cc3F)CC2=O)c1 ZINC000543026577 504696001 /nfs/dbraw/zinc/69/60/01/504696001.db2.gz RVWQQDLXNDEMGY-NSHDSACASA-N -1 3 360.410 3.245 20 0 FGADHM CC(C)[C@H]1N(C(=O)c2cc([O-])cc(Br)c2)CC12CCOCC2 ZINC000529489396 504696927 /nfs/dbraw/zinc/69/69/27/504696927.db2.gz SYGFFOUPXYGOEM-OAHLLOKOSA-N -1 3 368.271 3.432 20 0 FGADHM O=S(=O)([N-]C1(c2ccc(F)cc2F)CCCC1)c1cncc(F)c1 ZINC000536329034 504700829 /nfs/dbraw/zinc/70/08/29/504700829.db2.gz MQDHFNWBPQJRGR-UHFFFAOYSA-N -1 3 356.369 3.247 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Br)o1)c1c(F)cccc1F ZINC000546092045 504706662 /nfs/dbraw/zinc/70/66/62/504706662.db2.gz AVRNWYRPILHJPV-SSDOTTSWSA-N -1 3 366.183 3.360 20 0 FGADHM Cc1cc(Br)cn2cc(CNC(=O)c3ccc([O-])c(C)c3)nc12 ZINC000546112051 504713247 /nfs/dbraw/zinc/71/32/47/504713247.db2.gz NENIQFQCEQBGDZ-UHFFFAOYSA-N -1 3 374.238 3.349 20 0 FGADHM CSc1nnc(NC(=O)[C@@H](C)c2cccc(C(=O)c3ccccc3)c2)[n-]1 ZINC000536381423 504716505 /nfs/dbraw/zinc/71/65/05/504716505.db2.gz GAFWEOKKCFGAMW-LBPRGKRZSA-N -1 3 366.446 3.500 20 0 FGADHM CSc1n[n-]c(NC(=O)[C@@H](C)c2cccc(C(=O)c3ccccc3)c2)n1 ZINC000536381423 504716509 /nfs/dbraw/zinc/71/65/09/504716509.db2.gz GAFWEOKKCFGAMW-LBPRGKRZSA-N -1 3 366.446 3.500 20 0 FGADHM CSc1nc(NC(=O)[C@@H](C)c2cccc(C(=O)c3ccccc3)c2)n[n-]1 ZINC000536381423 504716513 /nfs/dbraw/zinc/71/65/13/504716513.db2.gz GAFWEOKKCFGAMW-LBPRGKRZSA-N -1 3 366.446 3.500 20 0 FGADHM Cc1cc(C)c(-c2cc(=NC(=O)c3cc(-n4ccnc4)ccn3)[nH][n-]2)cc1C ZINC000546156073 504728609 /nfs/dbraw/zinc/72/86/09/504728609.db2.gz QCWOALCKAIIQHA-UHFFFAOYSA-N -1 3 372.432 3.257 20 0 FGADHM Cc1ccc(CN[C@H](CC(=O)[O-])c2ccncc2)c(-c2ccnn2C)c1 ZINC000521462526 504741936 /nfs/dbraw/zinc/74/19/36/504741936.db2.gz KNABCCFJIBYIDZ-GOSISDBHSA-N -1 3 350.422 3.096 20 0 FGADHM C[C@@H]1[C@H](NC(=O)N=c2[n-]nc(C(C)(C)C)s2)CCN1Cc1ccccc1 ZINC000521491116 504747646 /nfs/dbraw/zinc/74/76/46/504747646.db2.gz GVUHLQUPMNOEOW-UKRRQHHQSA-N -1 3 373.526 3.042 20 0 FGADHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1ccccc1NCCC1=CCCCC1 ZINC000536535556 504756455 /nfs/dbraw/zinc/75/64/55/504756455.db2.gz CNEMDKLHTCWATR-QGZVFWFLSA-N -1 3 368.481 3.231 20 0 FGADHM CCOC(=O)c1ccc(NC(=O)c2ccnc(N3CC[C@H](C)C3)c2)c([O-])c1 ZINC000540028560 504762589 /nfs/dbraw/zinc/76/25/89/504762589.db2.gz HBIWJMNUBITDPW-ZDUSSCGKSA-N -1 3 369.421 3.062 20 0 FGADHM O=C1Nc2ccc(S(=O)(=O)[N-][C@@H](C3CC3)C(F)(F)F)c3cccc1c23 ZINC000521637612 504767682 /nfs/dbraw/zinc/76/76/82/504767682.db2.gz WVGNRPVPJDLMLW-AWEZNQCLSA-N -1 3 370.352 3.025 20 0 FGADHM O=C(CNC(=O)c1cccc([O-])c1)NC1(Cc2ccc(Cl)cc2)CCC1 ZINC000552834688 504772984 /nfs/dbraw/zinc/77/29/84/504772984.db2.gz IBPWEKKTAFHFOR-UHFFFAOYSA-N -1 3 372.852 3.057 20 0 FGADHM Cc1cc(F)cc([C@]2(F)CCN(C(=O)N=c3cc4ccccn4[n-]3)C2)c1 ZINC000562295389 504775835 /nfs/dbraw/zinc/77/58/35/504775835.db2.gz JUZWRVCRVCPESL-IBGZPJMESA-N -1 3 356.376 3.306 20 0 FGADHM 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COC(=O)c1cccc2nc(NC(=O)CNc3ccccc3Cl)[n-]c21 ZINC000611213987 507564796 /nfs/dbraw/zinc/56/47/96/507564796.db2.gz MSKLAFOFVISHGG-UHFFFAOYSA-N -1 3 358.785 3.054 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)CNc3ccccc3Cl)nc21 ZINC000611213987 507564798 /nfs/dbraw/zinc/56/47/98/507564798.db2.gz MSKLAFOFVISHGG-UHFFFAOYSA-N -1 3 358.785 3.054 20 0 FGADHM CC(C)(C)OC(=O)[C@@H]1c2ccccc2CCN1C(=O)c1cc(F)c[n-]c1=O ZINC000598777060 507596640 /nfs/dbraw/zinc/59/66/40/507596640.db2.gz OGAOLFKAUFISEK-INIZCTEOSA-N -1 3 372.396 3.008 20 0 FGADHM CCCCc1nc(C(=O)OCC)c(NC(=O)c2ccc3c(c2)CCOC3)[n-]1 ZINC000598831400 507626264 /nfs/dbraw/zinc/62/62/64/507626264.db2.gz JKKODJZVDLLFBO-UHFFFAOYSA-N -1 3 371.437 3.254 20 0 FGADHM CCCCc1nc(NC(=O)c2ccc3c(c2)CCOC3)c(C(=O)OCC)[n-]1 ZINC000598831400 507626272 /nfs/dbraw/zinc/62/62/72/507626272.db2.gz JKKODJZVDLLFBO-UHFFFAOYSA-N -1 3 371.437 3.254 20 0 FGADHM CC[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc([C@H](C)NC(C)=O)s2)C1 ZINC000607163285 507640393 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FGADHM CCOC(=O)c1cc(NC(=O)c2cnc3ccccc3c2[O-])c(F)cc1C ZINC000586828313 507686303 /nfs/dbraw/zinc/68/63/03/507686303.db2.gz NJONAVJRSGRWNK-UHFFFAOYSA-N -1 3 368.364 3.405 20 0 FGADHM O=C(CCCCc1ccc(Cl)c(Cl)c1)NCCCc1cc(=O)[nH][n-]1 ZINC000614922668 507695167 /nfs/dbraw/zinc/69/51/67/507695167.db2.gz HTMNAMGFODCRGO-UHFFFAOYSA-N -1 3 370.280 3.479 20 0 FGADHM COC(=O)c1ccc(C(=O)[N-]c2nc(-c3cccs3)ns2)cc1F ZINC000611522421 507721085 /nfs/dbraw/zinc/72/10/85/507721085.db2.gz ZHGQKSGYFMUGNE-UHFFFAOYSA-N -1 3 363.395 3.445 20 0 FGADHM CCC1(C(=O)Nc2nnc(-c3ccc4ccccc4n3)[n-]2)CCOCC1 ZINC000615118768 507758923 /nfs/dbraw/zinc/75/89/23/507758923.db2.gz FRDOUPJNLATXSB-UHFFFAOYSA-N -1 3 351.410 3.165 20 0 FGADHM CCC1(C(=O)Nc2nc(-c3ccc4ccccc4n3)n[n-]2)CCOCC1 ZINC000615118768 507758929 /nfs/dbraw/zinc/75/89/29/507758929.db2.gz FRDOUPJNLATXSB-UHFFFAOYSA-N -1 3 351.410 3.165 20 0 FGADHM CCC1(C(=O)Nc2n[n-]c(-c3ccc4ccccc4n3)n2)CCOCC1 ZINC000615118768 507758935 /nfs/dbraw/zinc/75/89/35/507758935.db2.gz 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ZINC000588099208 507762871 /nfs/dbraw/zinc/76/28/71/507762871.db2.gz LGMVYHFUBRAINI-UHFFFAOYSA-N -1 3 367.810 3.219 20 0 FGADHM COC(=O)c1cc(Cl)cc(NC(=O)CCCC2CCOCC2)c1[O-] ZINC000588101159 507763007 /nfs/dbraw/zinc/76/30/07/507763007.db2.gz AHBUWGPRAGDENQ-UHFFFAOYSA-N -1 3 355.818 3.368 20 0 FGADHM CCCc1ccc(-c2cc(=NC(=O)[C@H]3CCC[C@H](C(N)=O)C3)[nH][n-]2)cc1 ZINC000471247573 514812476 /nfs/dbraw/zinc/81/24/76/514812476.db2.gz SYGUMYWXFZQRHZ-HOTGVXAUSA-N -1 3 354.454 3.259 20 0 FGADHM CCc1ccc(C(=O)N=c2cc(-c3ccccc3)[n-][nH]2)cc1S(C)(=O)=O ZINC000498876870 515097482 /nfs/dbraw/zinc/09/74/82/515097482.db2.gz XYCRLVUJYMLQHY-UHFFFAOYSA-N -1 3 369.446 3.295 20 0 FGADHM Cc1ccc([C@@H](CNC(=O)c2csc(=NC3CC3)[n-]2)N2CCCC2)o1 ZINC000476932970 515256136 /nfs/dbraw/zinc/25/61/36/515256136.db2.gz RAXFTIVPDWLQAN-OAHLLOKOSA-N -1 3 360.483 3.186 20 0 FGADHM Cc1cc(Br)ccc1CC(=O)N=c1cc(OC(F)F)n(C)[n-]1 ZINC000490987264 515350686 /nfs/dbraw/zinc/35/06/86/515350686.db2.gz JDYHNFLANMGEIE-UHFFFAOYSA-N -1 3 374.185 3.274 20 0 FGADHM Cn1[n-]c(=NC(=O)[C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)cc1OC(F)F ZINC000491071717 515372364 /nfs/dbraw/zinc/37/23/64/515372364.db2.gz XXIDZGDOZSGUJD-JGVFFNPUSA-N -1 3 361.270 3.181 20 0 FGADHM Cc1cc(C)cc(-c2n[n-]c(=NC(=O)N[C@@H]3CCN(C)[C@@H](C)C3)s2)c1 ZINC000481953417 515525725 /nfs/dbraw/zinc/52/57/25/515525725.db2.gz MQTHCCROFSNVLV-DZGCQCFKSA-N -1 3 359.499 3.426 20 0 FGADHM CSC1(CNC(=O)N=c2cc3ccc(Br)cn3[n-]2)CC1 ZINC000482114729 515579537 /nfs/dbraw/zinc/57/95/37/515579537.db2.gz QNZUUIVMHQOLMO-UHFFFAOYSA-N -1 3 355.261 3.114 20 0 FGADHM CCC(CC)(CCO)NC(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482161860 515594226 /nfs/dbraw/zinc/59/42/26/515594226.db2.gz YAMRQYLXFRWDRG-UHFFFAOYSA-N -1 3 369.263 3.160 20 0 FGADHM C[C@H](CCOCc1ccccc1)NC(=O)N=c1cc(OC(F)F)n(C)[n-]1 ZINC000482267230 515629257 /nfs/dbraw/zinc/62/92/57/515629257.db2.gz KMUDHPDXNKQDGI-GFCCVEGCSA-N -1 3 368.384 3.138 20 0 FGADHM COC(=O)c1cc(C(=O)N=c2[nH]n([C@@H](C)c3ccccc3)cc2C)c[n-]1 ZINC000505739563 515652930 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FGADHM O=C(Nc1n[n-]c(-c2ccccc2F)n1)c1ccc(NCC2CC2)nc1 ZINC000507029455 516061630 /nfs/dbraw/zinc/06/16/30/516061630.db2.gz IKZHZVXQISPZDI-UHFFFAOYSA-N -1 3 352.373 3.080 20 0 FGADHM CC(C)N1CCCN(C(=O)N=c2[n-]nc(/C=C\c3ccco3)s2)CC1 ZINC000484064643 516289736 /nfs/dbraw/zinc/28/97/36/516289736.db2.gz HHRCDNFQWRXSJK-SREVYHEPSA-N -1 3 361.471 3.250 20 0 FGADHM CCc1ccc(S(C)(=O)=O)cc1C(=O)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000535480280 516371414 /nfs/dbraw/zinc/37/14/14/516371414.db2.gz QCUSMOVQKQLZLE-UHFFFAOYSA-N -1 3 369.446 3.295 20 0 FGADHM Cn1cc(Br)c(=NC(=O)c2cccc([C@@H]3CCCOC3)c2)[n-]1 ZINC000518380565 516636868 /nfs/dbraw/zinc/63/68/68/516636868.db2.gz ZZPUQXDRGWZIKA-CYBMUJFWSA-N -1 3 364.243 3.329 20 0 FGADHM Cc1noc(Cl)c1CC(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000513738474 516735265 /nfs/dbraw/zinc/73/52/65/516735265.db2.gz UVFAZOJKOWDKBJ-UHFFFAOYSA-N -1 3 369.606 3.228 20 0 FGADHM CN(C)c1cccc(C(=O)N=c2cc3ccc(Br)cn3[n-]2)c1 ZINC000513738213 516735634 /nfs/dbraw/zinc/73/56/34/516735634.db2.gz 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C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)c1 ZINC000527209240 517562815 /nfs/dbraw/zinc/56/28/15/517562815.db2.gz SNYZVLOMLGXFNO-DIOULYMOSA-N -1 3 354.410 3.108 20 0 FGADHM Cc1cc(C(=O)N=c2cc(-c3ccncc3)[n-][nH]2)c(C)n1[C@H]1CCOC1 ZINC000530262403 517665358 /nfs/dbraw/zinc/66/53/58/517665358.db2.gz PVXSOLTVNGYJDN-HNNXBMFYSA-N -1 3 351.410 3.104 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@H](C)OC[C@@H]2CCCCO2)c1-c1ccccc1F ZINC000530275684 517672921 /nfs/dbraw/zinc/67/29/21/517672921.db2.gz MLIXCRGKSPVNPA-KBPBESRZSA-N -1 3 361.417 3.437 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)c1-c1ccc(C)cc1 ZINC000530275117 517674322 /nfs/dbraw/zinc/67/43/22/517674322.db2.gz ZZJNHWNPJSWCPH-HNNXBMFYSA-N -1 3 354.454 3.279 20 0 FGADHM COc1cc(=NC(=O)C(C)(C)c2ccc(OC(F)(F)F)cc2)[n-]n1C ZINC000530450358 517781435 /nfs/dbraw/zinc/78/14/35/517781435.db2.gz DSNHSLRJBSYLGM-UHFFFAOYSA-N -1 3 357.332 3.244 20 0 FGADHM COc1cc(C(=O)N=c2[nH][n-]c(C)c2-c2ccccc2)cc2c1OCCO2 ZINC000522168666 518012847 /nfs/dbraw/zinc/01/28/47/518012847.db2.gz HJFDBIUGCBJRHA-UHFFFAOYSA-N -1 3 365.389 3.417 20 0 FGADHM CCN(CC)[C@H](CNC(=O)N=c1ncn(C(C)(C)C)[n-]1)Cc1ccccc1 ZINC000543360966 518045039 /nfs/dbraw/zinc/04/50/39/518045039.db2.gz NSJRNMBNMQYOHW-KRWDZBQOSA-N -1 3 372.517 3.108 20 0 FGADHM CSc1nc(C(C)C)nc(C)c1C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000616825833 520164841 /nfs/dbraw/zinc/16/48/41/520164841.db2.gz BNBUEEGCABQCJF-LBPRGKRZSA-N -1 3 361.471 3.457 20 0 FGADHM CC[C@H]1CCCC[C@H]1C(=O)N=c1[n-]n(C)cc1I ZINC000602384927 521310889 /nfs/dbraw/zinc/31/08/89/521310889.db2.gz BQCYEIHVSZTXAD-VHSXEESVSA-N -1 3 361.227 3.180 20 0 FGADHM CC1=C(C)C[C@@H](C(=O)N=c2[n-]n(C)cc2I)CC1 ZINC000602390463 521315084 /nfs/dbraw/zinc/31/50/84/521315084.db2.gz MUKAQPBHLGIGDH-JTQLQIEISA-N -1 3 359.211 3.100 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)c2ccnc(N3CCCC3)n2)c1-c1ccccc1F ZINC000630024953 522588455 /nfs/dbraw/zinc/58/84/55/522588455.db2.gz UFDIQEFTHGIPON-UHFFFAOYSA-N -1 3 366.400 3.167 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)c2cncc(N3CCCC3)n2)c1-c1ccccc1F ZINC000634422949 523394609 /nfs/dbraw/zinc/39/46/09/523394609.db2.gz VJHFRWXPGRLVOK-UHFFFAOYSA-N -1 3 366.400 3.167 20 0 FGADHM C[C@@H]1CN(C(=O)N=c2cc3ccc(Br)cn3[n-]2)CCS1 ZINC000482111952 561248632 /nfs/dbraw/zinc/24/86/32/561248632.db2.gz FIOWTEVJTZMNCN-SECBINFHSA-N -1 3 355.261 3.066 20 0 FGADHM Cn1[n-]c(=NC(=O)c2cc(-c3ccc(F)cc3)on2)cc1OC(F)F ZINC000491018875 561441875 /nfs/dbraw/zinc/44/18/75/561441875.db2.gz MHCDKQLDOFBVEO-UHFFFAOYSA-N -1 3 352.272 3.068 20 0 FGADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)CCc2cnn(C)c2)[nH][n-]1 ZINC000512847231 561917761 /nfs/dbraw/zinc/91/77/61/561917761.db2.gz UWRRJDWNACBBRI-UHFFFAOYSA-N -1 3 359.817 3.044 20 0 FGADHM CCCCOc1cccc(NC(=O)C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)c1 ZINC000472969014 561038931 /nfs/dbraw/zinc/03/89/31/561038931.db2.gz NVNWGBNAGOKLBV-INIZCTEOSA-N -1 3 372.425 3.017 20 0 FGADHM COc1ccc(C(=O)CCC(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)cc1F ZINC000473854877 561059279 /nfs/dbraw/zinc/05/92/79/561059279.db2.gz GZLYMHARGGEHML-MRXNPFEDSA-N -1 3 361.373 3.011 20 0 FGADHM CC(C)(C)OC(=O)C1([N-]S(=O)(=O)c2ccc(Cl)s2)CCCC1 ZINC000522754244 568036670 /nfs/dbraw/zinc/03/66/70/568036670.db2.gz UFAHGZDOFQLHIJ-UHFFFAOYSA-N -1 3 365.904 3.334 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)N1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000636822789 568116770 /nfs/dbraw/zinc/11/67/70/568116770.db2.gz JWPYSXPJEKTTOJ-UAGQMJEPSA-N -1 3 350.434 3.147 20 0 FGADHM CCCN(CCc1cccc(F)c1)C(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736480448 598823389 /nfs/dbraw/zinc/82/33/89/598823389.db2.gz PGPAXBDGQGDIAX-UHFFFAOYSA-N -1 3 367.428 3.030 20 0 FGADHM CCCN(CCc1cccc(F)c1)C(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736480448 598823390 /nfs/dbraw/zinc/82/33/90/598823390.db2.gz PGPAXBDGQGDIAX-UHFFFAOYSA-N -1 3 367.428 3.030 20 0 FGADHM COc1cccc(CNc2ccc(-c3nnn[n-]3)cn2)c1OC1CCCC1 ZINC000737131511 598830707 /nfs/dbraw/zinc/83/07/07/598830707.db2.gz DQWAMJFMBIIXJG-UHFFFAOYSA-N -1 3 366.425 3.204 20 0 FGADHM COc1cccc(CNc2ccc(-c3nn[n-]n3)cn2)c1OC1CCCC1 ZINC000737131511 598830708 /nfs/dbraw/zinc/83/07/08/598830708.db2.gz DQWAMJFMBIIXJG-UHFFFAOYSA-N -1 3 366.425 3.204 20 0 FGADHM Cc1cccc([C@@H](C)C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)c1 ZINC000737386703 598831586 /nfs/dbraw/zinc/83/15/86/598831586.db2.gz ZJCWOLGGINUOMJ-CYBMUJFWSA-N -1 3 352.442 3.474 20 0 FGADHM Cc1cccc([C@@H](C)C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)c1 ZINC000737386703 598831587 /nfs/dbraw/zinc/83/15/87/598831587.db2.gz ZJCWOLGGINUOMJ-CYBMUJFWSA-N -1 3 352.442 3.474 20 0 FGADHM O=C(NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1)c1ccoc1 ZINC000738111109 598835051 /nfs/dbraw/zinc/83/50/51/598835051.db2.gz HTDMFTHVVGCVTJ-UHFFFAOYSA-N -1 3 351.391 3.118 20 0 FGADHM C[C@@](O)(CNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1cccs1 ZINC000736143659 598857651 /nfs/dbraw/zinc/85/76/51/598857651.db2.gz VAMCTCIJGLXLMQ-CQSZACIVSA-N -1 3 369.372 3.267 20 0 FGADHM C[C@@](O)(CNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1cccs1 ZINC000736143659 598857652 /nfs/dbraw/zinc/85/76/52/598857652.db2.gz VAMCTCIJGLXLMQ-CQSZACIVSA-N -1 3 369.372 3.267 20 0 FGADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)c1nc(CCc2ccccc2)no1 ZINC000736170274 598859333 /nfs/dbraw/zinc/85/93/33/598859333.db2.gz SLHGSIAKFLVFFO-CYBMUJFWSA-N -1 3 362.393 3.175 20 0 FGADHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)C=Cc1cccc(F)c1 ZINC000736038769 598887678 /nfs/dbraw/zinc/88/76/78/598887678.db2.gz XJXJBNYCNFWSNK-MMQHEFTJSA-N -1 3 368.368 3.030 20 0 FGADHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)C=Cc1cccc(F)c1 ZINC000736038769 598887679 /nfs/dbraw/zinc/88/76/79/598887679.db2.gz XJXJBNYCNFWSNK-MMQHEFTJSA-N -1 3 368.368 3.030 20 0 FGADHM Cc1nnc([C@H](C)Sc2nc(-c3ccccc3)ccc2-c2nnn[n-]2)o1 ZINC000737520253 598901990 /nfs/dbraw/zinc/90/19/90/598901990.db2.gz GLIBYLDSIMBQMG-JTQLQIEISA-N -1 3 365.422 3.473 20 0 FGADHM Cc1nnc([C@H](C)Sc2nc(-c3ccccc3)ccc2-c2nn[n-]n2)o1 ZINC000737520253 598901992 /nfs/dbraw/zinc/90/19/92/598901992.db2.gz GLIBYLDSIMBQMG-JTQLQIEISA-N -1 3 365.422 3.473 20 0 FGADHM CC(C)(C)CCCNC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000735601736 598904524 /nfs/dbraw/zinc/90/45/24/598904524.db2.gz BEICLDQQNWWMSS-UHFFFAOYSA-N -1 3 368.388 3.416 20 0 FGADHM CC(C)(C)CCCNC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000735601736 598904526 /nfs/dbraw/zinc/90/45/26/598904526.db2.gz BEICLDQQNWWMSS-UHFFFAOYSA-N -1 3 368.388 3.416 20 0 FGADHM C[C@H]1CCN(C(=O)NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)C1 ZINC000736277387 598906545 /nfs/dbraw/zinc/90/65/45/598906545.db2.gz NGJDIHCEDSFQBO-LBPRGKRZSA-N -1 3 368.466 3.147 20 0 FGADHM C[C@H]1CCCC[C@H]1CCNC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736261631 598921972 /nfs/dbraw/zinc/92/19/72/598921972.db2.gz LDGBPWKFECBBTF-HOCLYGCPSA-N -1 3 356.474 3.225 20 0 FGADHM C[C@H]1CCCC[C@H]1CCNC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736261631 598921974 /nfs/dbraw/zinc/92/19/74/598921974.db2.gz LDGBPWKFECBBTF-HOCLYGCPSA-N -1 3 356.474 3.225 20 0 FGADHM C[C@H](COc1ccc(F)cc1F)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC000736036454 598938351 /nfs/dbraw/zinc/93/83/51/598938351.db2.gz AVGKMHWWEBJPHG-MRVPVSSYSA-N -1 3 366.759 3.073 20 0 FGADHM C[C@H](COc1ccc(F)cc1F)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC000736036454 598938353 /nfs/dbraw/zinc/93/83/53/598938353.db2.gz AVGKMHWWEBJPHG-MRVPVSSYSA-N -1 3 366.759 3.073 20 0 FGADHM Cc1csc([C@H]2CCCCN2c2ncc(-c3nnn[n-]3)cc2Cl)n1 ZINC000737454792 598940727 /nfs/dbraw/zinc/94/07/27/598940727.db2.gz GQGVKCURGZMKAQ-GFCCVEGCSA-N -1 3 361.862 3.412 20 0 FGADHM Cc1csc([C@H]2CCCCN2c2ncc(-c3nn[n-]n3)cc2Cl)n1 ZINC000737454792 598940729 /nfs/dbraw/zinc/94/07/29/598940729.db2.gz GQGVKCURGZMKAQ-GFCCVEGCSA-N -1 3 361.862 3.412 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)Nc1ccccc1OCC1CC1 ZINC000737796950 598945986 /nfs/dbraw/zinc/94/59/86/598945986.db2.gz CPXBQGZQLNSMFK-QXMHVHEDSA-N -1 3 361.405 3.307 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)Nc1ccccc1OCC1CC1 ZINC000737796950 598945988 /nfs/dbraw/zinc/94/59/88/598945988.db2.gz CPXBQGZQLNSMFK-QXMHVHEDSA-N -1 3 361.405 3.307 20 0 FGADHM CC(C)[C@@H]1CCCN(C(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736112368 598965543 /nfs/dbraw/zinc/96/55/43/598965543.db2.gz ISDTTXMXBSQIPI-LSDHHAIUSA-N -1 3 356.474 3.395 20 0 FGADHM CC(C)[C@@H]1CCCN(C(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736112368 598965544 /nfs/dbraw/zinc/96/55/44/598965544.db2.gz ISDTTXMXBSQIPI-LSDHHAIUSA-N -1 3 356.474 3.395 20 0 FGADHM O=C(CCC1CC1)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000737824371 598993499 /nfs/dbraw/zinc/99/34/99/598993499.db2.gz QUITUTLXFRFENX-UHFFFAOYSA-N -1 3 350.382 3.183 20 0 FGADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@@H](C)CCC1CCCCC1 ZINC000735986316 599007920 /nfs/dbraw/zinc/00/79/20/599007920.db2.gz REOLMSKVYLKGNW-LSDHHAIUSA-N -1 3 371.485 3.499 20 0 FGADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@@H](C)CCC1CCCCC1 ZINC000735986316 599007922 /nfs/dbraw/zinc/00/79/22/599007922.db2.gz REOLMSKVYLKGNW-LSDHHAIUSA-N -1 3 371.485 3.499 20 0 FGADHM CC[C@@H](NC(=S)N(C)Cc1cccc(-c2nnn[n-]2)c1)c1cccs1 ZINC000736371227 599014029 /nfs/dbraw/zinc/01/40/29/599014029.db2.gz PVOLLFITQRBALY-CQSZACIVSA-N -1 3 372.523 3.386 20 0 FGADHM CC[C@@H](NC(=S)N(C)Cc1cccc(-c2nn[n-]n2)c1)c1cccs1 ZINC000736371227 599014030 /nfs/dbraw/zinc/01/40/30/599014030.db2.gz PVOLLFITQRBALY-CQSZACIVSA-N -1 3 372.523 3.386 20 0 FGADHM CCN(C(=O)C[C@H](C)c1cccnc1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736503017 599025281 /nfs/dbraw/zinc/02/52/81/599025281.db2.gz RZZRTORWBMCYOH-GJZGRUSLSA-N -1 3 364.453 3.365 20 0 FGADHM CCN(C(=O)C[C@H](C)c1cccnc1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736503017 599025282 /nfs/dbraw/zinc/02/52/82/599025282.db2.gz RZZRTORWBMCYOH-GJZGRUSLSA-N -1 3 364.453 3.365 20 0 FGADHM CC[C@@H](OC(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1cccc(OC)c1 ZINC000736381709 599027848 /nfs/dbraw/zinc/02/78/48/599027848.db2.gz JVDDEWJYGUVBTP-QGZVFWFLSA-N -1 3 352.394 3.112 20 0 FGADHM CC[C@@H](OC(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1cccc(OC)c1 ZINC000736381709 599027850 /nfs/dbraw/zinc/02/78/50/599027850.db2.gz JVDDEWJYGUVBTP-QGZVFWFLSA-N -1 3 352.394 3.112 20 0 FGADHM O[C@@H](CNc1ccc(Cl)cc1-c1nnn[n-]1)c1c(F)cccc1Cl ZINC000738381919 599045216 /nfs/dbraw/zinc/04/52/16/599045216.db2.gz IYQYKBRRHYIJOZ-ZDUSSCGKSA-N -1 3 368.199 3.458 20 0 FGADHM O[C@@H](CNc1ccc(Cl)cc1-c1nn[n-]n1)c1c(F)cccc1Cl ZINC000738381919 599045218 /nfs/dbraw/zinc/04/52/18/599045218.db2.gz IYQYKBRRHYIJOZ-ZDUSSCGKSA-N -1 3 368.199 3.458 20 0 FGADHM Fc1ccc2ccc(NCCOc3ccc(-c4nn[n-]n4)cc3)nc2c1 ZINC000822786432 599049378 /nfs/dbraw/zinc/04/93/78/599049378.db2.gz KFNUQPRAIOJSID-UHFFFAOYSA-N -1 3 350.357 3.045 20 0 FGADHM Fc1ccc(CNc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)cc1F ZINC000737651401 599050061 /nfs/dbraw/zinc/05/00/61/599050061.db2.gz WSSFEKWQPVYFQG-UHFFFAOYSA-N -1 3 356.258 3.171 20 0 FGADHM Fc1ccc(CNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)cc1F ZINC000737651401 599050063 /nfs/dbraw/zinc/05/00/63/599050063.db2.gz WSSFEKWQPVYFQG-UHFFFAOYSA-N -1 3 356.258 3.171 20 0 FGADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(NCc2cc3ccccc3[nH]2)n1 ZINC000737635435 599050175 /nfs/dbraw/zinc/05/01/75/599050175.db2.gz FOKOWRQWRLTUNW-UHFFFAOYSA-N -1 3 359.315 3.374 20 0 FGADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(NCc2cc3ccccc3[nH]2)n1 ZINC000737635435 599050178 /nfs/dbraw/zinc/05/01/78/599050178.db2.gz FOKOWRQWRLTUNW-UHFFFAOYSA-N -1 3 359.315 3.374 20 0 FGADHM CN(c1nc(C(F)(F)F)ccc1-c1nnn[n-]1)[C@@H]1CCc2ccccc2C1 ZINC000736844708 599056804 /nfs/dbraw/zinc/05/68/04/599056804.db2.gz XEHASIQRPDXSJM-CYBMUJFWSA-N -1 3 374.370 3.274 20 0 FGADHM CN(c1nc(C(F)(F)F)ccc1-c1nn[n-]n1)[C@@H]1CCc2ccccc2C1 ZINC000736844708 599056807 /nfs/dbraw/zinc/05/68/07/599056807.db2.gz XEHASIQRPDXSJM-CYBMUJFWSA-N -1 3 374.370 3.274 20 0 FGADHM C[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C(=O)N1c1ccccc1 ZINC000820668401 599062499 /nfs/dbraw/zinc/06/24/99/599062499.db2.gz SFBXNQRWVWCRDM-ZBEGNZNMSA-N -1 3 368.828 3.126 20 0 FGADHM C[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C(=O)N1c1ccccc1 ZINC000820668401 599062502 /nfs/dbraw/zinc/06/25/02/599062502.db2.gz SFBXNQRWVWCRDM-ZBEGNZNMSA-N -1 3 368.828 3.126 20 0 FGADHM Fc1cc(-c2nnn[n-]2)ccc1SCc1nc(-c2cccs2)no1 ZINC000737645281 599065747 /nfs/dbraw/zinc/06/57/47/599065747.db2.gz VPZMNVOWOLIRRV-UHFFFAOYSA-N -1 3 360.399 3.410 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1SCc1nc(-c2cccs2)no1 ZINC000737645281 599065751 /nfs/dbraw/zinc/06/57/51/599065751.db2.gz VPZMNVOWOLIRRV-UHFFFAOYSA-N -1 3 360.399 3.410 20 0 FGADHM C[C@@H]1CCC[C@@H](NC(=O)CSc2ccc(-c3nnn[n-]3)cc2F)[C@@H]1C ZINC000736259570 599068155 /nfs/dbraw/zinc/06/81/55/599068155.db2.gz JOXPGSQYHRWYLY-JTNHKYCSSA-N -1 3 363.462 3.039 20 0 FGADHM C[C@@H]1CCC[C@@H](NC(=O)CSc2ccc(-c3nn[n-]n3)cc2F)[C@@H]1C ZINC000736259570 599068158 /nfs/dbraw/zinc/06/81/58/599068158.db2.gz JOXPGSQYHRWYLY-JTNHKYCSSA-N -1 3 363.462 3.039 20 0 FGADHM CCO[C@H](C)c1nc(CN(C)c2nc(C)cc(C)c2-c2nnn[n-]2)cs1 ZINC000821347508 599071941 /nfs/dbraw/zinc/07/19/41/599071941.db2.gz WJRXQCPXJPAYMO-GFCCVEGCSA-N -1 3 373.486 3.069 20 0 FGADHM CCO[C@H](C)c1nc(CN(C)c2nc(C)cc(C)c2-c2nn[n-]n2)cs1 ZINC000821347508 599071944 /nfs/dbraw/zinc/07/19/44/599071944.db2.gz WJRXQCPXJPAYMO-GFCCVEGCSA-N -1 3 373.486 3.069 20 0 FGADHM CN(C(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F)c1ccc(-c2nnn[n-]2)cc1F ZINC000736731509 599073837 /nfs/dbraw/zinc/07/38/37/599073837.db2.gz HAFRIKVSSXAVRW-WCQYABFASA-N -1 3 373.338 3.051 20 0 FGADHM CN(C(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F)c1ccc(-c2nn[n-]n2)cc1F ZINC000736731509 599073840 /nfs/dbraw/zinc/07/38/40/599073840.db2.gz HAFRIKVSSXAVRW-WCQYABFASA-N -1 3 373.338 3.051 20 0 FGADHM CCC[C@H](CCc1ccccc1)NC(=O)c1sccc1-c1nnn[n-]1 ZINC000736425916 599084604 /nfs/dbraw/zinc/08/46/04/599084604.db2.gz LEEBAYINHQSJOT-CQSZACIVSA-N -1 3 355.467 3.460 20 0 FGADHM CCC[C@H](CCc1ccccc1)NC(=O)c1sccc1-c1nn[n-]n1 ZINC000736425916 599084607 /nfs/dbraw/zinc/08/46/07/599084607.db2.gz LEEBAYINHQSJOT-CQSZACIVSA-N -1 3 355.467 3.460 20 0 FGADHM CCc1ccc([C@@H]2CCCCN2C(=O)c2cccc(-c3nnn[n-]3)c2)o1 ZINC000736688517 599085496 /nfs/dbraw/zinc/08/54/96/599085496.db2.gz WDYKOQCAGUUOOG-INIZCTEOSA-N -1 3 351.410 3.390 20 0 FGADHM CCc1ccc([C@@H]2CCCCN2C(=O)c2cccc(-c3nn[n-]n3)c2)o1 ZINC000736688517 599085499 /nfs/dbraw/zinc/08/54/99/599085499.db2.gz WDYKOQCAGUUOOG-INIZCTEOSA-N -1 3 351.410 3.390 20 0 FGADHM C[C@@H]1CCCC[C@@H]1NC(=O)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000824937809 607833191 /nfs/dbraw/zinc/83/31/91/607833191.db2.gz RSTRUXBWVOAAJH-PELKAZGASA-N -1 3 354.241 3.482 20 0 FGADHM C[C@@H]1CCCC[C@@H]1NC(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000824937809 607833192 /nfs/dbraw/zinc/83/31/92/607833192.db2.gz RSTRUXBWVOAAJH-PELKAZGASA-N -1 3 354.241 3.482 20 0 FGADHM C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1C(=O)c1sccc1-c1nnn[n-]1 ZINC000736236679 599091358 /nfs/dbraw/zinc/09/13/58/599091358.db2.gz SULHCEPNTJYNME-LALPHHSUSA-N -1 3 353.451 3.335 20 0 FGADHM C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1C(=O)c1sccc1-c1nn[n-]n1 ZINC000736236679 599091360 /nfs/dbraw/zinc/09/13/60/599091360.db2.gz SULHCEPNTJYNME-LALPHHSUSA-N -1 3 353.451 3.335 20 0 FGADHM C[C@@H](CCC1CCCCC1)NC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000735983913 599102966 /nfs/dbraw/zinc/10/29/66/599102966.db2.gz ACGJUFJFKFIJLU-AWEZNQCLSA-N -1 3 356.474 3.415 20 0 FGADHM C[C@@H](CCC1CCCCC1)NC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000735983913 599102969 /nfs/dbraw/zinc/10/29/69/599102969.db2.gz ACGJUFJFKFIJLU-AWEZNQCLSA-N -1 3 356.474 3.415 20 0 FGADHM C[C@H](NC(=O)NCC[C@H]1CCC[C@@H](C)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736249816 599104275 /nfs/dbraw/zinc/10/42/75/599104275.db2.gz KXRONBHCCMYEPQ-QLFBSQMISA-N -1 3 356.474 3.443 20 0 FGADHM C[C@H](NC(=O)NCC[C@H]1CCC[C@@H](C)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736249816 599104277 /nfs/dbraw/zinc/10/42/77/599104277.db2.gz KXRONBHCCMYEPQ-QLFBSQMISA-N -1 3 356.474 3.443 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N1CCSC[C@H]1c1ccccc1 ZINC000738152480 599105131 /nfs/dbraw/zinc/10/51/31/599105131.db2.gz VHYHXZGLWQABIG-INIZCTEOSA-N -1 3 366.450 3.189 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N1CCSC[C@H]1c1ccccc1 ZINC000738152480 599105132 /nfs/dbraw/zinc/10/51/32/599105132.db2.gz VHYHXZGLWQABIG-INIZCTEOSA-N -1 3 366.450 3.189 20 0 FGADHM CCN(Cc1cccc(F)c1)C(=O)CSc1ccccc1-c1nnn[n-]1 ZINC000736559466 599109750 /nfs/dbraw/zinc/10/97/50/599109750.db2.gz XAYILAOQQNGJIE-UHFFFAOYSA-N -1 3 371.441 3.147 20 0 FGADHM CCN(Cc1cccc(F)c1)C(=O)CSc1ccccc1-c1nn[n-]n1 ZINC000736559466 599109753 /nfs/dbraw/zinc/10/97/53/599109753.db2.gz XAYILAOQQNGJIE-UHFFFAOYSA-N -1 3 371.441 3.147 20 0 FGADHM CCO[C@H]1C[C@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)C12CCCCC2 ZINC000736612541 599119832 /nfs/dbraw/zinc/11/98/32/599119832.db2.gz QAHCRKLWFGVFJU-KBPBESRZSA-N -1 3 362.865 3.455 20 0 FGADHM CCO[C@H]1C[C@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)C12CCCCC2 ZINC000736612541 599119835 /nfs/dbraw/zinc/11/98/35/599119835.db2.gz QAHCRKLWFGVFJU-KBPBESRZSA-N -1 3 362.865 3.455 20 0 FGADHM COc1ccccc1[C@@H](C)SCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000821882779 599128373 /nfs/dbraw/zinc/12/83/73/599128373.db2.gz KNANYMBAAWIVLO-GFCCVEGCSA-N -1 3 369.450 3.308 20 0 FGADHM COc1ccccc1[C@@H](C)SCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000821882779 599128377 /nfs/dbraw/zinc/12/83/77/599128377.db2.gz KNANYMBAAWIVLO-GFCCVEGCSA-N -1 3 369.450 3.308 20 0 FGADHM C/C(=C\C(=O)NCCSCc1ccccc1-c1nnn[n-]1)C(C)(C)C ZINC000819765316 599134815 /nfs/dbraw/zinc/13/48/15/599134815.db2.gz OHHKFMPYSIBXQS-ACCUITESSA-N -1 3 359.499 3.209 20 0 FGADHM C/C(=C\C(=O)NCCSCc1ccccc1-c1nn[n-]n1)C(C)(C)C ZINC000819765316 599134818 /nfs/dbraw/zinc/13/48/18/599134818.db2.gz OHHKFMPYSIBXQS-ACCUITESSA-N -1 3 359.499 3.209 20 0 FGADHM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820938444 599137302 /nfs/dbraw/zinc/13/73/02/599137302.db2.gz IXCGHUMVFBWFLL-DTDBQYNISA-N -1 3 371.485 3.418 20 0 FGADHM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820938444 599137304 /nfs/dbraw/zinc/13/73/04/599137304.db2.gz IXCGHUMVFBWFLL-DTDBQYNISA-N -1 3 371.485 3.418 20 0 FGADHM Cc1cc(F)cc(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)c1 ZINC000822203531 599137426 /nfs/dbraw/zinc/13/74/26/599137426.db2.gz YEYQYYOESRBPSE-UHFFFAOYSA-N -1 3 351.385 3.119 20 0 FGADHM Cc1cc(F)cc(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)c1 ZINC000822203531 599137427 /nfs/dbraw/zinc/13/74/27/599137427.db2.gz YEYQYYOESRBPSE-UHFFFAOYSA-N -1 3 351.385 3.119 20 0 FGADHM C[C@@H](CCc1cccc(F)c1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820252833 599151252 /nfs/dbraw/zinc/15/12/52/599151252.db2.gz FBVPIRZXBNVDHH-NSHDSACASA-N -1 3 357.364 3.352 20 0 FGADHM C[C@@H](CCc1cccc(F)c1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820252833 599151254 /nfs/dbraw/zinc/15/12/54/599151254.db2.gz FBVPIRZXBNVDHH-NSHDSACASA-N -1 3 357.364 3.352 20 0 FGADHM Fc1ccc(SCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)cc1 ZINC000737656346 599158107 /nfs/dbraw/zinc/15/81/07/599158107.db2.gz KNVITVJVOORKCX-UHFFFAOYSA-N -1 3 354.370 3.348 20 0 FGADHM Fc1ccc(SCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)cc1 ZINC000737656346 599158109 /nfs/dbraw/zinc/15/81/09/599158109.db2.gz KNVITVJVOORKCX-UHFFFAOYSA-N -1 3 354.370 3.348 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)C[C@@H](C)c1ccccc1C ZINC000737026648 599160758 /nfs/dbraw/zinc/16/07/58/599160758.db2.gz ZQXGZDBSQMUSCZ-CYBMUJFWSA-N -1 3 352.394 3.283 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)C[C@@H](C)c1ccccc1C ZINC000737026648 599160759 /nfs/dbraw/zinc/16/07/59/599160759.db2.gz ZQXGZDBSQMUSCZ-CYBMUJFWSA-N -1 3 352.394 3.283 20 0 FGADHM Fc1ccc(F)c(SCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)c1 ZINC000737658637 599162621 /nfs/dbraw/zinc/16/26/21/599162621.db2.gz FNNRBTJFCCWNAY-UHFFFAOYSA-N -1 3 372.360 3.487 20 0 FGADHM Fc1ccc(F)c(SCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)c1 ZINC000737658637 599162623 /nfs/dbraw/zinc/16/26/23/599162623.db2.gz FNNRBTJFCCWNAY-UHFFFAOYSA-N -1 3 372.360 3.487 20 0 FGADHM Cc1cc(C)cc(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000737249926 599173628 /nfs/dbraw/zinc/17/36/28/599173628.db2.gz FWGMTAGDMZBRIO-UHFFFAOYSA-N -1 3 357.414 3.353 20 0 FGADHM Cc1cc(C)cc(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000737249926 599173629 /nfs/dbraw/zinc/17/36/29/599173629.db2.gz FWGMTAGDMZBRIO-UHFFFAOYSA-N -1 3 357.414 3.353 20 0 FGADHM O=C(CC/C=C\c1ccccc1)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822955459 599174501 /nfs/dbraw/zinc/17/45/01/599174501.db2.gz VXGLIJQBAYLYDF-YWEYNIOJSA-N -1 3 351.385 3.116 20 0 FGADHM O=C(CC/C=C\c1ccccc1)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822955459 599174503 /nfs/dbraw/zinc/17/45/03/599174503.db2.gz VXGLIJQBAYLYDF-YWEYNIOJSA-N -1 3 351.385 3.116 20 0 FGADHM CC(C)[C@@H](C(=O)NCc1cc(-c2nnn[n-]2)ccc1F)c1ccccc1 ZINC000820016697 599175718 /nfs/dbraw/zinc/17/57/18/599175718.db2.gz OHGHORPTVTWBNY-QGZVFWFLSA-N -1 3 353.401 3.062 20 0 FGADHM CC(C)[C@@H](C(=O)NCc1cc(-c2nn[n-]n2)ccc1F)c1ccccc1 ZINC000820016697 599175720 /nfs/dbraw/zinc/17/57/20/599175720.db2.gz OHGHORPTVTWBNY-QGZVFWFLSA-N -1 3 353.401 3.062 20 0 FGADHM C[C@H](CCc1cccc(F)c1)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000820254127 599178278 /nfs/dbraw/zinc/17/82/78/599178278.db2.gz MXFPZDHIUIOCGL-GFCCVEGCSA-N -1 3 371.391 3.030 20 0 FGADHM C[C@H](CCc1cccc(F)c1)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000820254127 599178281 /nfs/dbraw/zinc/17/82/81/599178281.db2.gz MXFPZDHIUIOCGL-GFCCVEGCSA-N -1 3 371.391 3.030 20 0 FGADHM Cc1[nH]c2ccc(C(=O)NCc3cc(-c4nnn[n-]4)ccc3F)cc2c1C ZINC000822010038 599181788 /nfs/dbraw/zinc/18/17/88/599181788.db2.gz LAEUHBCUVYLHSE-UHFFFAOYSA-N -1 3 364.384 3.034 20 0 FGADHM Cc1[nH]c2ccc(C(=O)NCc3cc(-c4nn[n-]n4)ccc3F)cc2c1C ZINC000822010038 599181791 /nfs/dbraw/zinc/18/17/91/599181791.db2.gz LAEUHBCUVYLHSE-UHFFFAOYSA-N -1 3 364.384 3.034 20 0 FGADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H]1Cc2ccccc21 ZINC000735830077 599183662 /nfs/dbraw/zinc/18/36/62/599183662.db2.gz CKCQDLVTNMBEMJ-IBGZPJMESA-N -1 3 361.449 3.191 20 0 FGADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H]1Cc2ccccc21 ZINC000735830077 599183664 /nfs/dbraw/zinc/18/36/64/599183664.db2.gz CKCQDLVTNMBEMJ-IBGZPJMESA-N -1 3 361.449 3.191 20 0 FGADHM Cc1ccc(-c2ocnc2C(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737304011 599182769 /nfs/dbraw/zinc/18/27/69/599182769.db2.gz REDCIPFPYWJXEM-UHFFFAOYSA-N -1 3 374.404 3.102 20 0 FGADHM Cc1ccc(-c2ocnc2C(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737304011 599182772 /nfs/dbraw/zinc/18/27/72/599182772.db2.gz REDCIPFPYWJXEM-UHFFFAOYSA-N -1 3 374.404 3.102 20 0 FGADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cc2cccc(F)c2o1 ZINC000736822340 599183102 /nfs/dbraw/zinc/18/31/02/599183102.db2.gz MATRQIJJLYEEQJ-UHFFFAOYSA-N -1 3 351.341 3.024 20 0 FGADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cc2cccc(F)c2o1 ZINC000736822340 599183104 /nfs/dbraw/zinc/18/31/04/599183104.db2.gz MATRQIJJLYEEQJ-UHFFFAOYSA-N -1 3 351.341 3.024 20 0 FGADHM CC(C)(C)[C@H]1CCCN(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000735596142 599188827 /nfs/dbraw/zinc/18/88/27/599188827.db2.gz JBYJWHHHBWTTKF-INIZCTEOSA-N -1 3 356.474 3.225 20 0 FGADHM CC(C)(C)[C@H]1CCCN(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735596142 599188828 /nfs/dbraw/zinc/18/88/28/599188828.db2.gz JBYJWHHHBWTTKF-INIZCTEOSA-N -1 3 356.474 3.225 20 0 FGADHM C[C@H](CNC(=O)C=Cc1ccccc1-c1nnn[n-]1)Sc1ccccc1 ZINC000820259939 599191699 /nfs/dbraw/zinc/19/16/99/599191699.db2.gz DKLURCYITPZGKQ-GCZGRYASSA-N -1 3 365.462 3.177 20 0 FGADHM C[C@H](CNC(=O)C=Cc1ccccc1-c1nn[n-]n1)Sc1ccccc1 ZINC000820259939 599191702 /nfs/dbraw/zinc/19/17/02/599191702.db2.gz DKLURCYITPZGKQ-GCZGRYASSA-N -1 3 365.462 3.177 20 0 FGADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C[C@H](C)n1cccc1 ZINC000735830042 599198854 /nfs/dbraw/zinc/19/88/54/599198854.db2.gz ATEXFPJHXFVKKM-INIZCTEOSA-N -1 3 366.469 3.304 20 0 FGADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C[C@H](C)n1cccc1 ZINC000735830042 599198856 /nfs/dbraw/zinc/19/88/56/599198856.db2.gz ATEXFPJHXFVKKM-INIZCTEOSA-N -1 3 366.469 3.304 20 0 FGADHM COCCN(C(=O)[C@H]1C[C@H]1C1CCCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736988373 599205865 /nfs/dbraw/zinc/20/58/65/599205865.db2.gz LAZPOQXFVWEXMD-ROUUACIJSA-N -1 3 369.469 3.063 20 0 FGADHM COCCN(C(=O)[C@H]1C[C@H]1C1CCCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736988373 599205866 /nfs/dbraw/zinc/20/58/66/599205866.db2.gz LAZPOQXFVWEXMD-ROUUACIJSA-N -1 3 369.469 3.063 20 0 FGADHM C[C@H]1C[C@@H]1C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000820669142 599220134 /nfs/dbraw/zinc/22/01/34/599220134.db2.gz YXYOYZQGUPOYTR-GWCFXTLKSA-N -1 3 353.357 3.393 20 0 FGADHM C[C@H]1C[C@@H]1C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000820669142 599220135 /nfs/dbraw/zinc/22/01/35/599220135.db2.gz YXYOYZQGUPOYTR-GWCFXTLKSA-N -1 3 353.357 3.393 20 0 FGADHM CS[C@@H](C)C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000821948591 599221019 /nfs/dbraw/zinc/22/10/19/599221019.db2.gz CWGAMDGOBXMHOF-JTQLQIEISA-N -1 3 373.413 3.488 20 0 FGADHM CS[C@@H](C)C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000821948591 599221022 /nfs/dbraw/zinc/22/10/22/599221022.db2.gz CWGAMDGOBXMHOF-JTQLQIEISA-N -1 3 373.413 3.488 20 0 FGADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCC[C@@H]2CCC[C@@H]21 ZINC000735735699 599223184 /nfs/dbraw/zinc/22/31/84/599223184.db2.gz UEDSQZATCJMMRV-ZVZYQTTQSA-N -1 3 369.469 3.061 20 0 FGADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCC[C@@H]2CCC[C@@H]21 ZINC000735735699 599223187 /nfs/dbraw/zinc/22/31/87/599223187.db2.gz UEDSQZATCJMMRV-ZVZYQTTQSA-N -1 3 369.469 3.061 20 0 FGADHM CC(C)Oc1ccc(OC(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000735913831 599223665 /nfs/dbraw/zinc/22/36/65/599223665.db2.gz RTJADLVRHPQMLF-GHXNOFRVSA-N -1 3 350.378 3.273 20 0 FGADHM CC(C)Oc1ccc(OC(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000735913831 599223667 /nfs/dbraw/zinc/22/36/67/599223667.db2.gz RTJADLVRHPQMLF-GHXNOFRVSA-N -1 3 350.378 3.273 20 0 FGADHM S=C(NCC(C1CC1)C1CC1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000823732933 599230206 /nfs/dbraw/zinc/23/02/06/599230206.db2.gz QELZVIHIIAYNDI-UHFFFAOYSA-N -1 3 362.890 3.243 20 0 FGADHM S=C(NCC(C1CC1)C1CC1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000823732933 599230207 /nfs/dbraw/zinc/23/02/07/599230207.db2.gz QELZVIHIIAYNDI-UHFFFAOYSA-N -1 3 362.890 3.243 20 0 FGADHM C[C@H]1CCN(C(=O)c2ncc(-c3nnn[n-]3)cc2Cl)c2ccccc21 ZINC000820716939 607262873 /nfs/dbraw/zinc/26/28/73/607262873.db2.gz MUNLXZAVRFCTBJ-JTQLQIEISA-N -1 3 354.801 3.069 20 0 FGADHM C[C@H]1CCN(C(=O)c2ncc(-c3nn[n-]n3)cc2Cl)c2ccccc21 ZINC000820716939 607262874 /nfs/dbraw/zinc/26/28/74/607262874.db2.gz MUNLXZAVRFCTBJ-JTQLQIEISA-N -1 3 354.801 3.069 20 0 FGADHM CCCOc1cccc(CC(=O)Nc2cc(-c3nnn[n-]3)ccc2C)c1 ZINC000821134275 607264657 /nfs/dbraw/zinc/26/46/57/607264657.db2.gz ROBKGEULNGLWGG-UHFFFAOYSA-N -1 3 351.410 3.145 20 0 FGADHM CCCOc1cccc(CC(=O)Nc2cc(-c3nn[n-]n3)ccc2C)c1 ZINC000821134275 607264658 /nfs/dbraw/zinc/26/46/58/607264658.db2.gz ROBKGEULNGLWGG-UHFFFAOYSA-N -1 3 351.410 3.145 20 0 FGADHM Cc1ccc(NC(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC000822248708 599237015 /nfs/dbraw/zinc/23/70/15/599237015.db2.gz KBFZJWPRIUMBHX-UHFFFAOYSA-N -1 3 372.816 3.029 20 0 FGADHM Cc1oc(-c2ccccc2)nc1CC(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000822534897 607267587 /nfs/dbraw/zinc/26/75/87/607267587.db2.gz BGTDWDBXYSQRLZ-UHFFFAOYSA-N -1 3 374.404 3.320 20 0 FGADHM Cc1oc(-c2ccccc2)nc1CC(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000822534897 607267588 /nfs/dbraw/zinc/26/75/88/607267588.db2.gz BGTDWDBXYSQRLZ-UHFFFAOYSA-N -1 3 374.404 3.320 20 0 FGADHM C[C@@H](NC(=O)Nc1ccc(F)c(F)c1F)c1cccc(-c2nnn[n-]2)c1 ZINC000820380458 599242947 /nfs/dbraw/zinc/24/29/47/599242947.db2.gz UCDPBPJLDFXSFH-MRVPVSSYSA-N -1 3 362.315 3.167 20 0 FGADHM C[C@@H](NC(=O)Nc1ccc(F)c(F)c1F)c1cccc(-c2nn[n-]n2)c1 ZINC000820380458 599242949 /nfs/dbraw/zinc/24/29/49/599242949.db2.gz UCDPBPJLDFXSFH-MRVPVSSYSA-N -1 3 362.315 3.167 20 0 FGADHM Cc1ccc(-c2nc(C(=O)Nc3cccc(-c4nnn[n-]4)c3C)cs2)o1 ZINC000822214078 607271752 /nfs/dbraw/zinc/27/17/52/607271752.db2.gz ODKBXCYKKMUNLK-UHFFFAOYSA-N -1 3 366.406 3.452 20 0 FGADHM Cc1ccc(-c2nc(C(=O)Nc3cccc(-c4nn[n-]n4)c3C)cs2)o1 ZINC000822214078 607271753 /nfs/dbraw/zinc/27/17/53/607271753.db2.gz ODKBXCYKKMUNLK-UHFFFAOYSA-N -1 3 366.406 3.452 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccn(C(CC)CC)n1 ZINC000821412723 607275993 /nfs/dbraw/zinc/27/59/93/607275993.db2.gz RQJYZUMRCONYRJ-UHFFFAOYSA-N -1 3 369.429 3.075 20 0 FGADHM COc1ccc(NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1Cl ZINC000821831976 599248377 /nfs/dbraw/zinc/24/83/77/599248377.db2.gz VHYPMOBFXUVAKX-JTQLQIEISA-N -1 3 372.816 3.411 20 0 FGADHM COc1ccc(NC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1Cl ZINC000821831976 599248379 /nfs/dbraw/zinc/24/83/79/599248379.db2.gz VHYPMOBFXUVAKX-JTQLQIEISA-N -1 3 372.816 3.411 20 0 FGADHM Cc1c(NC(=O)N2CCc3c(F)cc(F)cc3C2)cccc1-c1nnn[n-]1 ZINC000822089251 607280113 /nfs/dbraw/zinc/28/01/13/607280113.db2.gz BTBMZEYLGQQCKQ-UHFFFAOYSA-N -1 3 370.363 3.044 20 0 FGADHM Cc1c(NC(=O)N2CCc3c(F)cc(F)cc3C2)cccc1-c1nn[n-]n1 ZINC000822089251 607280114 /nfs/dbraw/zinc/28/01/14/607280114.db2.gz BTBMZEYLGQQCKQ-UHFFFAOYSA-N -1 3 370.363 3.044 20 0 FGADHM Cc1c(NC(=O)N[C@H](C)CCc2ccccc2)cccc1-c1nnn[n-]1 ZINC000822092323 607282450 /nfs/dbraw/zinc/28/24/50/607282450.db2.gz WAJWOHYDRPOILI-CYBMUJFWSA-N -1 3 350.426 3.318 20 0 FGADHM Cc1c(NC(=O)N[C@H](C)CCc2ccccc2)cccc1-c1nn[n-]n1 ZINC000822092323 607282451 /nfs/dbraw/zinc/28/24/51/607282451.db2.gz WAJWOHYDRPOILI-CYBMUJFWSA-N -1 3 350.426 3.318 20 0 FGADHM Cc1c(NC(=O)N2CC[C@@H](c3cccc(F)c3)C2)cccc1-c1nnn[n-]1 ZINC000822085367 607289097 /nfs/dbraw/zinc/28/90/97/607289097.db2.gz YKXPRBNVLNFIIY-CQSZACIVSA-N -1 3 366.400 3.336 20 0 FGADHM Cc1c(NC(=O)N2CC[C@@H](c3cccc(F)c3)C2)cccc1-c1nn[n-]n1 ZINC000822085367 607289098 /nfs/dbraw/zinc/28/90/98/607289098.db2.gz YKXPRBNVLNFIIY-CQSZACIVSA-N -1 3 366.400 3.336 20 0 FGADHM Cc1ccc2c(Cl)c(C(=O)Nc3ccncc3-c3nnn[n-]3)sc2c1 ZINC000737372027 599255889 /nfs/dbraw/zinc/25/58/89/599255889.db2.gz UNUVSTVSNDTRCN-UHFFFAOYSA-N -1 3 370.825 3.112 20 0 FGADHM Cc1ccc2c(Cl)c(C(=O)Nc3ccncc3-c3nn[n-]n3)sc2c1 ZINC000737372027 599255891 /nfs/dbraw/zinc/25/58/91/599255891.db2.gz UNUVSTVSNDTRCN-UHFFFAOYSA-N -1 3 370.825 3.112 20 0 FGADHM COc1ccc(C)cc1[C@H](C)NC(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821782870 607285384 /nfs/dbraw/zinc/28/53/84/607285384.db2.gz QKRRMMDPCAEXNH-ZDUSSCGKSA-N -1 3 366.425 3.375 20 0 FGADHM COc1ccc(C)cc1[C@H](C)NC(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821782870 607285385 /nfs/dbraw/zinc/28/53/85/607285385.db2.gz QKRRMMDPCAEXNH-ZDUSSCGKSA-N -1 3 366.425 3.375 20 0 FGADHM CC[C@@H](c1ccncc1)N(C)C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000820945328 607289619 /nfs/dbraw/zinc/28/96/19/607289619.db2.gz RCAOSZVCRSTROU-INIZCTEOSA-N -1 3 351.414 3.185 20 0 FGADHM CC[C@@H](c1ccncc1)N(C)C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000820945328 607289620 /nfs/dbraw/zinc/28/96/20/607289620.db2.gz RCAOSZVCRSTROU-INIZCTEOSA-N -1 3 351.414 3.185 20 0 FGADHM COc1ccc(CNC(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1Cl ZINC000821798655 607289847 /nfs/dbraw/zinc/28/98/47/607289847.db2.gz IQYILYIYXHRXOP-UHFFFAOYSA-N -1 3 372.816 3.159 20 0 FGADHM COc1ccc(CNC(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1Cl ZINC000821798655 607289848 /nfs/dbraw/zinc/28/98/48/607289848.db2.gz IQYILYIYXHRXOP-UHFFFAOYSA-N -1 3 372.816 3.159 20 0 FGADHM Cc1c(NC(=O)NCc2ccc([C@H]3C[C@H]3C)o2)cccc1-c1nnn[n-]1 ZINC000822105605 607291335 /nfs/dbraw/zinc/29/13/35/607291335.db2.gz VNSVOGIVOPMJQV-YGRLFVJLSA-N -1 3 352.398 3.213 20 0 FGADHM Cc1c(NC(=O)NCc2ccc([C@H]3C[C@H]3C)o2)cccc1-c1nn[n-]n1 ZINC000822105605 607291336 /nfs/dbraw/zinc/29/13/36/607291336.db2.gz VNSVOGIVOPMJQV-YGRLFVJLSA-N -1 3 352.398 3.213 20 0 FGADHM CC[C@H](NC(=O)c1ncc(-c2nnn[n-]2)cc1Cl)c1ccc(C)cc1 ZINC000820920218 607299689 /nfs/dbraw/zinc/29/96/89/607299689.db2.gz NDBXFNGJFCSYKT-AWEZNQCLSA-N -1 3 356.817 3.105 20 0 FGADHM CC[C@H](NC(=O)c1ncc(-c2nn[n-]n2)cc1Cl)c1ccc(C)cc1 ZINC000820920218 607299690 /nfs/dbraw/zinc/29/96/90/607299690.db2.gz NDBXFNGJFCSYKT-AWEZNQCLSA-N -1 3 356.817 3.105 20 0 FGADHM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)cn1)c1cccc(Cl)c1Cl ZINC000736119373 599261410 /nfs/dbraw/zinc/26/14/10/599261410.db2.gz OPHVYZAWPUZGKE-QMMMGPOBSA-N -1 3 363.208 3.060 20 0 FGADHM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)cn1)c1cccc(Cl)c1Cl ZINC000736119373 599261412 /nfs/dbraw/zinc/26/14/12/599261412.db2.gz OPHVYZAWPUZGKE-QMMMGPOBSA-N -1 3 363.208 3.060 20 0 FGADHM c1nc2cc(Nc3ccc(-c4nnn[n-]4)cn3)ccc2n1-c1ccccc1 ZINC000823771977 607306703 /nfs/dbraw/zinc/30/67/03/607306703.db2.gz GTZISHUCAVYTPT-UHFFFAOYSA-N -1 3 354.377 3.344 20 0 FGADHM c1nc2cc(Nc3ccc(-c4nn[n-]n4)cn3)ccc2n1-c1ccccc1 ZINC000823771977 607306704 /nfs/dbraw/zinc/30/67/04/607306704.db2.gz GTZISHUCAVYTPT-UHFFFAOYSA-N -1 3 354.377 3.344 20 0 FGADHM c1cn(C2CCCC2)nc1CNc1nc2ccccc2cc1-c1nnn[n-]1 ZINC000823802729 607307652 /nfs/dbraw/zinc/30/76/52/607307652.db2.gz ZYPUWOGKLMCTQZ-UHFFFAOYSA-N -1 3 360.425 3.339 20 0 FGADHM c1cn(C2CCCC2)nc1CNc1nc2ccccc2cc1-c1nn[n-]n1 ZINC000823802729 607307653 /nfs/dbraw/zinc/30/76/53/607307653.db2.gz ZYPUWOGKLMCTQZ-UHFFFAOYSA-N -1 3 360.425 3.339 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000821407947 599266983 /nfs/dbraw/zinc/26/69/83/599266983.db2.gz YJPCNPOVTPJCRB-KCQAQPDRSA-N -1 3 370.457 3.356 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000821407947 599266986 /nfs/dbraw/zinc/26/69/86/599266986.db2.gz YJPCNPOVTPJCRB-KCQAQPDRSA-N -1 3 370.457 3.356 20 0 FGADHM Cc1cc([C@@H]2CCCN2c2c(-c3nnn[n-]3)cnc3c(C)cccc32)no1 ZINC000737266009 599267353 /nfs/dbraw/zinc/26/73/53/599267353.db2.gz WPXLZNWDXDYMBR-INIZCTEOSA-N -1 3 361.409 3.361 20 0 FGADHM Cc1cc([C@@H]2CCCN2c2c(-c3nn[n-]n3)cnc3c(C)cccc32)no1 ZINC000737266009 599267355 /nfs/dbraw/zinc/26/73/55/599267355.db2.gz WPXLZNWDXDYMBR-INIZCTEOSA-N -1 3 361.409 3.361 20 0 FGADHM CCN(C(=O)Nc1cc(-c2nnn[n-]2)ccc1C)[C@@H](C)c1cccc(O)c1 ZINC000821153486 599269166 /nfs/dbraw/zinc/26/91/66/599269166.db2.gz DDRSKZASSRGYNF-ZDUSSCGKSA-N -1 3 366.425 3.496 20 0 FGADHM CCN(C(=O)Nc1cc(-c2nn[n-]n2)ccc1C)[C@@H](C)c1cccc(O)c1 ZINC000821153486 599269167 /nfs/dbraw/zinc/26/91/67/599269167.db2.gz DDRSKZASSRGYNF-ZDUSSCGKSA-N -1 3 366.425 3.496 20 0 FGADHM Cc1noc(C)c1CN(C)c1c(-c2nnn[n-]2)cnc2c(C)cc(F)cc21 ZINC000737536502 599270668 /nfs/dbraw/zinc/27/06/68/599270668.db2.gz JJASWOOFYWLFCV-UHFFFAOYSA-N -1 3 367.388 3.104 20 0 FGADHM Cc1noc(C)c1CN(C)c1c(-c2nn[n-]n2)cnc2c(C)cc(F)cc21 ZINC000737536502 599270675 /nfs/dbraw/zinc/27/06/75/599270675.db2.gz JJASWOOFYWLFCV-UHFFFAOYSA-N -1 3 367.388 3.104 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)C=Cc1cccc(F)c1 ZINC000736488326 599275544 /nfs/dbraw/zinc/27/55/44/599275544.db2.gz ORAOQGNIOFRORQ-TWGQIWQCSA-N -1 3 366.400 3.480 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(OCC)cc1 ZINC000736488442 599277569 /nfs/dbraw/zinc/27/75/69/599277569.db2.gz QHKDPSGRJVSULO-UHFFFAOYSA-N -1 3 366.425 3.340 20 0 FGADHM C[C@@H](NC(=O)Nc1cc(F)c(F)c(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820373470 599283342 /nfs/dbraw/zinc/28/33/42/599283342.db2.gz IDZNFCBROLRHQT-MRVPVSSYSA-N -1 3 362.315 3.167 20 0 FGADHM C[C@@H](NC(=O)Nc1cc(F)c(F)c(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820373470 599283344 /nfs/dbraw/zinc/28/33/44/599283344.db2.gz IDZNFCBROLRHQT-MRVPVSSYSA-N -1 3 362.315 3.167 20 0 FGADHM Cc1cc(-c2nn[n-]n2)cc(C)c1OCc1nc(Cc2ccccc2)no1 ZINC000737222292 599283781 /nfs/dbraw/zinc/28/37/81/599283781.db2.gz WJPOFRKZTRJTMJ-UHFFFAOYSA-N -1 3 362.393 3.036 20 0 FGADHM C[C@H]1C[C@H](C)CN(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C1 ZINC000820649952 599288075 /nfs/dbraw/zinc/28/80/75/599288075.db2.gz PMFFXMRSONFTMU-UWVGGRQHSA-N -1 3 368.363 3.395 20 0 FGADHM C[C@H]1C[C@H](C)CN(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C1 ZINC000820649952 599288077 /nfs/dbraw/zinc/28/80/77/599288077.db2.gz PMFFXMRSONFTMU-UWVGGRQHSA-N -1 3 368.363 3.395 20 0 FGADHM CCC(C)(C)NC(=O)[C@H](C)Sc1ccc(-c2nnn[n-]2)cc1Cl ZINC000825043340 607844369 /nfs/dbraw/zinc/84/43/69/607844369.db2.gz FRKJJWMTZURCPM-VIFPVBQESA-N -1 3 353.879 3.306 20 0 FGADHM CCC(C)(C)NC(=O)[C@H](C)Sc1ccc(-c2nn[n-]n2)cc1Cl ZINC000825043340 607844370 /nfs/dbraw/zinc/84/43/70/607844370.db2.gz FRKJJWMTZURCPM-VIFPVBQESA-N -1 3 353.879 3.306 20 0 FGADHM CCCCOCC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000736459391 599291267 /nfs/dbraw/zinc/29/12/67/599291267.db2.gz BLDMUUVDLRLTJS-UHFFFAOYSA-N -1 3 367.409 3.414 20 0 FGADHM CCCCOCC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000736459391 599291269 /nfs/dbraw/zinc/29/12/69/599291269.db2.gz BLDMUUVDLRLTJS-UHFFFAOYSA-N -1 3 367.409 3.414 20 0 FGADHM Clc1ccc(NCCc2nnc(-c3ccccc3)o2)c(-c2nnn[n-]2)c1 ZINC000822578637 607327541 /nfs/dbraw/zinc/32/75/41/607327541.db2.gz MKPPYVDLFJMEGX-UHFFFAOYSA-N -1 3 367.800 3.225 20 0 FGADHM Clc1ccc(NCCc2nnc(-c3ccccc3)o2)c(-c2nn[n-]n2)c1 ZINC000822578637 607327542 /nfs/dbraw/zinc/32/75/42/607327542.db2.gz MKPPYVDLFJMEGX-UHFFFAOYSA-N -1 3 367.800 3.225 20 0 FGADHM C[C@H](NCc1ccc(C(=O)[O-])cc1)c1cc(F)ccc1N1CCC(O)CC1 ZINC000820142610 598176807 /nfs/dbraw/zinc/17/68/07/598176807.db2.gz XZEXCHAJTNWCSQ-AWEZNQCLSA-N -1 3 372.440 3.336 20 0 FGADHM Cc1ccc(N2CCCN(c3ccc(-c4nn[n-]n4)cc3F)CC2)cc1 ZINC000737353983 598240652 /nfs/dbraw/zinc/24/06/52/598240652.db2.gz ZAFVAFNTDIRVNR-UHFFFAOYSA-N -1 3 352.417 3.031 20 0 FGADHM Cc1cc(C)c(-c2nnn[n-]2)c(N2CCC(Cc3ccc(F)cc3)CC2)n1 ZINC000737245270 598245297 /nfs/dbraw/zinc/24/52/97/598245297.db2.gz MVOPGCPGWGUZCV-UHFFFAOYSA-N -1 3 366.444 3.477 20 0 FGADHM Cc1cc(C)c(-c2nn[n-]n2)c(N2CCC(Cc3ccc(F)cc3)CC2)n1 ZINC000737245270 598245299 /nfs/dbraw/zinc/24/52/99/598245299.db2.gz MVOPGCPGWGUZCV-UHFFFAOYSA-N -1 3 366.444 3.477 20 0 FGADHM c1nc2cc(NCCCOc3ccc(-c4nn[n-]n4)cc3)ccc2s1 ZINC000738449425 598250714 /nfs/dbraw/zinc/25/07/14/598250714.db2.gz FKELBADJCBXWAM-UHFFFAOYSA-N -1 3 352.423 3.357 20 0 FGADHM C[C@H](c1ccc(F)cc1F)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000736197897 598251367 /nfs/dbraw/zinc/25/13/67/598251367.db2.gz CWSURHHKCXHIOF-CYBMUJFWSA-N -1 3 370.407 3.028 20 0 FGADHM C[C@H](c1ccc(F)cc1F)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000736197897 598251369 /nfs/dbraw/zinc/25/13/69/598251369.db2.gz CWSURHHKCXHIOF-CYBMUJFWSA-N -1 3 370.407 3.028 20 0 FGADHM Cc1cccc2c1CC[C@@H]2NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737407662 598265727 /nfs/dbraw/zinc/26/57/27/598265727.db2.gz DMSJGLOJGQSPLB-INIZCTEOSA-N -1 3 352.373 3.123 20 0 FGADHM Cc1cccc2c1CC[C@@H]2NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737407662 598265729 /nfs/dbraw/zinc/26/57/29/598265729.db2.gz DMSJGLOJGQSPLB-INIZCTEOSA-N -1 3 352.373 3.123 20 0 FGADHM FC(F)(F)c1cc(N2CCN(c3ccccc3)CC2)ccc1-c1nnn[n-]1 ZINC000737632128 598274341 /nfs/dbraw/zinc/27/43/41/598274341.db2.gz KIAIUHITCLNJHE-UHFFFAOYSA-N -1 3 374.370 3.212 20 0 FGADHM FC(F)(F)c1cc(N2CCN(c3ccccc3)CC2)ccc1-c1nn[n-]n1 ZINC000737632128 598274343 /nfs/dbraw/zinc/27/43/43/598274343.db2.gz KIAIUHITCLNJHE-UHFFFAOYSA-N -1 3 374.370 3.212 20 0 FGADHM CC(C)Oc1ccc(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000735906791 598281515 /nfs/dbraw/zinc/28/15/15/598281515.db2.gz WUKXQELUDZOAMO-UHFFFAOYSA-N -1 3 355.373 3.070 20 0 FGADHM CC(C)Oc1ccc(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000735906791 598281516 /nfs/dbraw/zinc/28/15/16/598281516.db2.gz WUKXQELUDZOAMO-UHFFFAOYSA-N -1 3 355.373 3.070 20 0 FGADHM CC(C)(C)c1ccc(CS(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735651717 598289750 /nfs/dbraw/zinc/28/97/50/598289750.db2.gz WUGZXTNGJFHFIZ-UHFFFAOYSA-N -1 3 370.478 3.279 20 0 FGADHM CC(C)(C)c1ccc(CS(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735651717 598289752 /nfs/dbraw/zinc/28/97/52/598289752.db2.gz WUGZXTNGJFHFIZ-UHFFFAOYSA-N -1 3 370.478 3.279 20 0 FGADHM CC[C@H](C)[C@H](C(=O)NCc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000736320503 598304262 /nfs/dbraw/zinc/30/42/62/598304262.db2.gz UXVCBLYMZNXOIR-UGSOOPFHSA-N -1 3 367.428 3.452 20 0 FGADHM CC[C@H](C)[C@H](C(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000736320503 598304263 /nfs/dbraw/zinc/30/42/63/598304263.db2.gz UXVCBLYMZNXOIR-UGSOOPFHSA-N -1 3 367.428 3.452 20 0 FGADHM Fc1ccc(-c2nnn[n-]2)cc1CSCCCOCC(F)(F)F ZINC000737652409 598314028 /nfs/dbraw/zinc/31/40/28/598314028.db2.gz UOXAZYRPDPRVKU-UHFFFAOYSA-N -1 3 350.341 3.208 20 0 FGADHM Fc1ccc(-c2nn[n-]n2)cc1CSCCCOCC(F)(F)F ZINC000737652409 598314030 /nfs/dbraw/zinc/31/40/30/598314030.db2.gz UOXAZYRPDPRVKU-UHFFFAOYSA-N -1 3 350.341 3.208 20 0 FGADHM Fc1ccc(-c2nnn[n-]2)cc1CSCc1cn(-c2ccccc2)nn1 ZINC000737653170 598314149 /nfs/dbraw/zinc/31/41/49/598314149.db2.gz ZAWATJMYYBKRTO-UHFFFAOYSA-N -1 3 367.413 3.020 20 0 FGADHM Fc1ccc(-c2nn[n-]n2)cc1CSCc1cn(-c2ccccc2)nn1 ZINC000737653170 598314151 /nfs/dbraw/zinc/31/41/51/598314151.db2.gz ZAWATJMYYBKRTO-UHFFFAOYSA-N -1 3 367.413 3.020 20 0 FGADHM S=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CCc2ccccc2C1 ZINC000738407197 598316606 /nfs/dbraw/zinc/31/66/06/598316606.db2.gz GLWKVLQGIUPESP-UHFFFAOYSA-N -1 3 370.869 3.275 20 0 FGADHM S=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CCc2ccccc2C1 ZINC000738407197 598316607 /nfs/dbraw/zinc/31/66/07/598316607.db2.gz GLWKVLQGIUPESP-UHFFFAOYSA-N -1 3 370.869 3.275 20 0 FGADHM Cc1ccc(O)c(NC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000737366389 598322598 /nfs/dbraw/zinc/32/25/98/598322598.db2.gz YZQDSGDRHFLGSS-UHFFFAOYSA-N -1 3 360.830 3.343 20 0 FGADHM Cc1ccc(O)c(NC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000737366389 598322599 /nfs/dbraw/zinc/32/25/99/598322599.db2.gz YZQDSGDRHFLGSS-UHFFFAOYSA-N -1 3 360.830 3.343 20 0 FGADHM Cc1cccc(CCNC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000737391606 598324414 /nfs/dbraw/zinc/32/44/14/598324414.db2.gz GDQQTFUQPOVOJR-UHFFFAOYSA-N -1 3 372.885 3.358 20 0 FGADHM Cc1cccc(CCNC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000737391606 598324416 /nfs/dbraw/zinc/32/44/16/598324416.db2.gz GDQQTFUQPOVOJR-UHFFFAOYSA-N -1 3 372.885 3.358 20 0 FGADHM CCN(C(=O)c1sccc1OC)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736509171 598359078 /nfs/dbraw/zinc/35/90/78/598359078.db2.gz TZXXEQJCNIYRDP-NSHDSACASA-N -1 3 357.439 3.160 20 0 FGADHM CCN(C(=O)c1sccc1OC)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736509171 598359080 /nfs/dbraw/zinc/35/90/80/598359080.db2.gz TZXXEQJCNIYRDP-NSHDSACASA-N -1 3 357.439 3.160 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N1CCC[C@H](Cc2ccccc2)C1 ZINC000738152444 598370832 /nfs/dbraw/zinc/37/08/32/598370832.db2.gz TYKZKZSVLUYHHW-MRXNPFEDSA-N -1 3 362.437 3.353 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N1CCC[C@H](Cc2ccccc2)C1 ZINC000738152444 598370834 /nfs/dbraw/zinc/37/08/34/598370834.db2.gz TYKZKZSVLUYHHW-MRXNPFEDSA-N -1 3 362.437 3.353 20 0 FGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N1Cc2ccccc2C1 ZINC000735905575 598372573 /nfs/dbraw/zinc/37/25/73/598372573.db2.gz LJKMUOKQQNVBCT-UHFFFAOYSA-N -1 3 364.409 3.202 20 0 FGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N1Cc2ccccc2C1 ZINC000735905575 598372574 /nfs/dbraw/zinc/37/25/74/598372574.db2.gz LJKMUOKQQNVBCT-UHFFFAOYSA-N -1 3 364.409 3.202 20 0 FGADHM CC(C=C1N=C(c2ccc(-c3nnn[n-]3)cc2)OC1=O)=Cc1ccccc1 ZINC000735449024 598378134 /nfs/dbraw/zinc/37/81/34/598378134.db2.gz UQWRMRKRCIARRP-QKIOLIMFSA-N -1 3 357.373 3.158 20 0 FGADHM CC(C=C1N=C(c2ccc(-c3nn[n-]n3)cc2)OC1=O)=Cc1ccccc1 ZINC000735449024 598378135 /nfs/dbraw/zinc/37/81/35/598378135.db2.gz UQWRMRKRCIARRP-QKIOLIMFSA-N -1 3 357.373 3.158 20 0 FGADHM Clc1cc(-c2nn[n-]n2)cnc1NC[C@@H](c1ccco1)N1CCCCC1 ZINC000737557658 598386743 /nfs/dbraw/zinc/38/67/43/598386743.db2.gz GVIUOOCZLVCAQT-AWEZNQCLSA-N -1 3 373.848 3.147 20 0 FGADHM Clc1cc(-c2nnn[n-]2)cnc1N1CCC(OCc2ccccc2)CC1 ZINC000737564931 598388278 /nfs/dbraw/zinc/38/82/78/598388278.db2.gz UQJAITRPZSZOCA-UHFFFAOYSA-N -1 3 370.844 3.101 20 0 FGADHM Clc1cc(-c2nn[n-]n2)cnc1N1CCC(OCc2ccccc2)CC1 ZINC000737564931 598388280 /nfs/dbraw/zinc/38/82/80/598388280.db2.gz UQJAITRPZSZOCA-UHFFFAOYSA-N -1 3 370.844 3.101 20 0 FGADHM C[C@H](NC(=O)N1CCCc2ccccc2C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736115678 598390941 /nfs/dbraw/zinc/39/09/41/598390941.db2.gz ZIHNRPOBIONAHQ-AWEZNQCLSA-N -1 3 362.437 3.086 20 0 FGADHM C[C@H](NC(=O)N1CCCc2ccccc2C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736115678 598390943 /nfs/dbraw/zinc/39/09/43/598390943.db2.gz ZIHNRPOBIONAHQ-AWEZNQCLSA-N -1 3 362.437 3.086 20 0 FGADHM Clc1cc(-c2nnn[n-]2)cnc1NCc1cc(Br)cs1 ZINC000737558647 598391122 /nfs/dbraw/zinc/39/11/22/598391122.db2.gz POGUUEGFBCJYAY-UHFFFAOYSA-N -1 3 371.651 3.351 20 0 FGADHM Clc1cc(-c2nn[n-]n2)cnc1NCc1cc(Br)cs1 ZINC000737558647 598391124 /nfs/dbraw/zinc/39/11/24/598391124.db2.gz POGUUEGFBCJYAY-UHFFFAOYSA-N -1 3 371.651 3.351 20 0 FGADHM CC(C)COc1ccc(CC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000735837137 598396806 /nfs/dbraw/zinc/39/68/06/598396806.db2.gz GNCXQGMYEMEUPZ-UHFFFAOYSA-N -1 3 369.400 3.222 20 0 FGADHM CC(C)COc1ccc(CC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000735837137 598396807 /nfs/dbraw/zinc/39/68/07/598396807.db2.gz GNCXQGMYEMEUPZ-UHFFFAOYSA-N -1 3 369.400 3.222 20 0 FGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1ccc(Cl)o1 ZINC000735874468 598427121 /nfs/dbraw/zinc/42/71/21/598427121.db2.gz PKKZQOLTJIQQKU-UHFFFAOYSA-N -1 3 374.832 3.233 20 0 FGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1ccc(Cl)o1 ZINC000735874468 598427123 /nfs/dbraw/zinc/42/71/23/598427123.db2.gz PKKZQOLTJIQQKU-UHFFFAOYSA-N -1 3 374.832 3.233 20 0 FGADHM Cc1cc(C)cc([C@@H](C)NC(=O)NCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737251260 598430604 /nfs/dbraw/zinc/43/06/04/598430604.db2.gz DHSJQXLNXLWITD-CQSZACIVSA-N -1 3 350.426 3.044 20 0 FGADHM Cc1cc(C)cc([C@@H](C)NC(=O)NCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737251260 598430606 /nfs/dbraw/zinc/43/06/06/598430606.db2.gz DHSJQXLNXLWITD-CQSZACIVSA-N -1 3 350.426 3.044 20 0 FGADHM C[C@H](c1ccc(Cl)cc1)N(C(=O)c1ccc(-c2nnn[n-]2)cn1)C1CC1 ZINC000736198425 598441630 /nfs/dbraw/zinc/44/16/30/598441630.db2.gz IDNGQXPTHGGAJX-LLVKDONJSA-N -1 3 368.828 3.281 20 0 FGADHM C[C@H](c1ccc(Cl)cc1)N(C(=O)c1ccc(-c2nn[n-]n2)cn1)C1CC1 ZINC000736198425 598441631 /nfs/dbraw/zinc/44/16/31/598441631.db2.gz IDNGQXPTHGGAJX-LLVKDONJSA-N -1 3 368.828 3.281 20 0 FGADHM CCCN(C(=O)c1ccc(-c2nnn[n-]2)cn1)[C@@H](CC)c1ccccc1 ZINC000736471516 598443237 /nfs/dbraw/zinc/44/32/37/598443237.db2.gz WRFMJRLYEDZXRF-KRWDZBQOSA-N -1 3 350.426 3.265 20 0 FGADHM CCCN(C(=O)c1ccc(-c2nn[n-]n2)cn1)[C@@H](CC)c1ccccc1 ZINC000736471516 598443239 /nfs/dbraw/zinc/44/32/39/598443239.db2.gz WRFMJRLYEDZXRF-KRWDZBQOSA-N -1 3 350.426 3.265 20 0 FGADHM CC(C)(CCc1ccccc1)NC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000735665535 598449644 /nfs/dbraw/zinc/44/96/44/598449644.db2.gz GWUKPJRJAWKARN-UHFFFAOYSA-N -1 3 363.465 3.327 20 0 FGADHM CC(C)(CCc1ccccc1)NC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000735665535 598449646 /nfs/dbraw/zinc/44/96/46/598449646.db2.gz GWUKPJRJAWKARN-UHFFFAOYSA-N -1 3 363.465 3.327 20 0 FGADHM CC(C)Sc1ccc([C@@H](C)NC(=O)c2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000735921003 598453571 /nfs/dbraw/zinc/45/35/71/598453571.db2.gz DZKZJGJYKKSLJQ-GFCCVEGCSA-N -1 3 368.466 3.253 20 0 FGADHM CC(C)Sc1ccc([C@@H](C)NC(=O)c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000735921003 598453574 /nfs/dbraw/zinc/45/35/74/598453574.db2.gz DZKZJGJYKKSLJQ-GFCCVEGCSA-N -1 3 368.466 3.253 20 0 FGADHM Fc1ccc([C@H]2CN(c3ccc(-c4nn[n-]n4)cc3)CCO2)cc1Cl ZINC000737649384 598458372 /nfs/dbraw/zinc/45/83/72/598458372.db2.gz LYOYEZJQVGSZHQ-MRXNPFEDSA-N -1 3 359.792 3.237 20 0 FGADHM Clc1cc(NCc2ccccc2-c2nnn[n-]2)ccc1-n1cccn1 ZINC000737565038 598458586 /nfs/dbraw/zinc/45/85/86/598458586.db2.gz MVOVBGFAQBREGM-UHFFFAOYSA-N -1 3 351.801 3.318 20 0 FGADHM Clc1cc(NCc2ccccc2-c2nn[n-]n2)ccc1-n1cccn1 ZINC000737565038 598458587 /nfs/dbraw/zinc/45/85/87/598458587.db2.gz MVOVBGFAQBREGM-UHFFFAOYSA-N -1 3 351.801 3.318 20 0 FGADHM Cc1nc([C@@H](C)NC(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)cs1 ZINC000737469648 598472158 /nfs/dbraw/zinc/47/21/58/598472158.db2.gz AZIVLNXYAPECAC-SECBINFHSA-N -1 3 374.474 3.071 20 0 FGADHM Cc1nc([C@@H](C)NC(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)cs1 ZINC000737469648 598472160 /nfs/dbraw/zinc/47/21/60/598472160.db2.gz AZIVLNXYAPECAC-SECBINFHSA-N -1 3 374.474 3.071 20 0 FGADHM CSCc1ccc(NC(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737182828 598477175 /nfs/dbraw/zinc/47/71/75/598477175.db2.gz VITPZADOVPLEKV-UHFFFAOYSA-N -1 3 368.466 3.394 20 0 FGADHM CSCc1ccc(NC(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737182828 598477178 /nfs/dbraw/zinc/47/71/78/598477178.db2.gz VITPZADOVPLEKV-UHFFFAOYSA-N -1 3 368.466 3.394 20 0 FGADHM C[C@@H]1CCCC[C@H]1CNC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000736270970 598479549 /nfs/dbraw/zinc/47/95/49/598479549.db2.gz LCPRJFNPCCLHEA-PBHICJAKSA-N -1 3 368.485 3.367 20 0 FGADHM C[C@@H]1CCCC[C@H]1CNC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000736270970 598479551 /nfs/dbraw/zinc/47/95/51/598479551.db2.gz LCPRJFNPCCLHEA-PBHICJAKSA-N -1 3 368.485 3.367 20 0 FGADHM COc1cccc([C@@H](C)C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000737122527 598483366 /nfs/dbraw/zinc/48/33/66/598483366.db2.gz UNRGIVRMSCXYPU-OLZOCXBDSA-N -1 3 352.394 3.283 20 0 FGADHM COc1cccc([C@@H](C)C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737122527 598483367 /nfs/dbraw/zinc/48/33/67/598483367.db2.gz UNRGIVRMSCXYPU-OLZOCXBDSA-N -1 3 352.394 3.283 20 0 FGADHM Cc1cnn(-c2ccc(C(=O)O[C@H](C)c3cccc(-c4nnn[n-]4)c3)cc2)c1 ZINC000737441890 598485302 /nfs/dbraw/zinc/48/53/02/598485302.db2.gz DHNQPBFZXZBJTE-CQSZACIVSA-N -1 3 374.404 3.279 20 0 FGADHM Cc1cnn(-c2ccc(C(=O)O[C@H](C)c3cccc(-c4nn[n-]n4)c3)cc2)c1 ZINC000737441890 598485303 /nfs/dbraw/zinc/48/53/03/598485303.db2.gz DHNQPBFZXZBJTE-CQSZACIVSA-N -1 3 374.404 3.279 20 0 FGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)c1cc2ccccc2o1 ZINC000735661531 598488281 /nfs/dbraw/zinc/48/82/81/598488281.db2.gz MVMNITXWDCNJMH-UHFFFAOYSA-N -1 3 350.382 3.422 20 0 FGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)c1cc2ccccc2o1 ZINC000735661531 598488282 /nfs/dbraw/zinc/48/82/82/598488282.db2.gz MVMNITXWDCNJMH-UHFFFAOYSA-N -1 3 350.382 3.422 20 0 FGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)c1cc2c(s1)CCC2 ZINC000735662123 598489343 /nfs/dbraw/zinc/48/93/43/598489343.db2.gz QLZSCGIVTMFMMV-UHFFFAOYSA-N -1 3 356.455 3.226 20 0 FGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)c1cc2c(s1)CCC2 ZINC000735662123 598489345 /nfs/dbraw/zinc/48/93/45/598489345.db2.gz QLZSCGIVTMFMMV-UHFFFAOYSA-N -1 3 356.455 3.226 20 0 FGADHM C[C@H](OC(=O)CCC(=O)c1cccs1)c1cccc(-c2nnn[n-]2)c1 ZINC000736151700 598490056 /nfs/dbraw/zinc/49/00/56/598490056.db2.gz RTIDAKMZIGBQBF-NSHDSACASA-N -1 3 356.407 3.196 20 0 FGADHM C[C@H](OC(=O)CCC(=O)c1cccs1)c1cccc(-c2nn[n-]n2)c1 ZINC000736151700 598490059 /nfs/dbraw/zinc/49/00/59/598490059.db2.gz RTIDAKMZIGBQBF-NSHDSACASA-N -1 3 356.407 3.196 20 0 FGADHM C[C@@H](Oc1ccc(F)cc1)C(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000736175603 598491766 /nfs/dbraw/zinc/49/17/66/598491766.db2.gz QNKGTBIORJWMEF-NWDGAFQWSA-N -1 3 356.357 3.078 20 0 FGADHM C[C@@H](Oc1ccc(F)cc1)C(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000736175603 598491767 /nfs/dbraw/zinc/49/17/67/598491767.db2.gz QNKGTBIORJWMEF-NWDGAFQWSA-N -1 3 356.357 3.078 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)N1Cc2ccccc2C(F)(F)C1 ZINC000823343877 607356565 /nfs/dbraw/zinc/35/65/65/607356565.db2.gz JWIAERKSPOXEIP-UHFFFAOYSA-N -1 3 374.326 3.145 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)N1Cc2ccccc2C(F)(F)C1 ZINC000823343877 607356566 /nfs/dbraw/zinc/35/65/66/607356566.db2.gz JWIAERKSPOXEIP-UHFFFAOYSA-N -1 3 374.326 3.145 20 0 FGADHM Clc1ccc(NCc2cccc(Cn3cccn3)c2)c(-c2nnn[n-]2)c1 ZINC000737576208 598508033 /nfs/dbraw/zinc/50/80/33/598508033.db2.gz YPOHZYIWWQDXIG-UHFFFAOYSA-N -1 3 365.828 3.377 20 0 FGADHM Clc1ccc(NCc2cccc(Cn3cccn3)c2)c(-c2nn[n-]n2)c1 ZINC000737576208 598508034 /nfs/dbraw/zinc/50/80/34/598508034.db2.gz YPOHZYIWWQDXIG-UHFFFAOYSA-N -1 3 365.828 3.377 20 0 FGADHM COc1ccc(C(=O)OCc2ccc(F)cc2-c2nnn[n-]2)c(Cl)c1 ZINC000737071271 598512439 /nfs/dbraw/zinc/51/24/39/598512439.db2.gz HHZDQHUTHQBYCB-UHFFFAOYSA-N -1 3 362.748 3.025 20 0 FGADHM COc1ccc(C(=O)OCc2ccc(F)cc2-c2nn[n-]n2)c(Cl)c1 ZINC000737071271 598512440 /nfs/dbraw/zinc/51/24/40/598512440.db2.gz HHZDQHUTHQBYCB-UHFFFAOYSA-N -1 3 362.748 3.025 20 0 FGADHM CCc1c(C)sc(NC(=O)[C@H](C)OCCC(C)C)c1-c1nnn[n-]1 ZINC000736670388 598515236 /nfs/dbraw/zinc/51/52/36/598515236.db2.gz OLZIMZIVJXYUHI-JTQLQIEISA-N -1 3 351.476 3.189 20 0 FGADHM CCc1c(C)sc(NC(=O)[C@H](C)OCCC(C)C)c1-c1nn[n-]n1 ZINC000736670388 598515238 /nfs/dbraw/zinc/51/52/38/598515238.db2.gz OLZIMZIVJXYUHI-JTQLQIEISA-N -1 3 351.476 3.189 20 0 FGADHM CCc1c(C)sc(NC(=O)c2cccc(COC)c2)c1-c1nnn[n-]1 ZINC000736676298 598517722 /nfs/dbraw/zinc/51/77/22/598517722.db2.gz QXJZNZYMBOBINZ-UHFFFAOYSA-N -1 3 357.439 3.198 20 0 FGADHM CCc1c(C)sc(NC(=O)c2cccc(COC)c2)c1-c1nn[n-]n1 ZINC000736676298 598517724 /nfs/dbraw/zinc/51/77/24/598517724.db2.gz QXJZNZYMBOBINZ-UHFFFAOYSA-N -1 3 357.439 3.198 20 0 FGADHM Fc1ccc([C@H](NCc2cccc(-c3nn[n-]n3)c2)c2ccccn2)cc1 ZINC000737647237 598526660 /nfs/dbraw/zinc/52/66/60/598526660.db2.gz DEKIAHSZPOWTDE-IBGZPJMESA-N -1 3 360.396 3.280 20 0 FGADHM CC[C@H](Cc1ccccc1)NC(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000736351595 598534260 /nfs/dbraw/zinc/53/42/60/598534260.db2.gz PIUUKMLREPSTHV-MRXNPFEDSA-N -1 3 350.426 3.318 20 0 FGADHM CC[C@H](Cc1ccccc1)NC(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000736351595 598534263 /nfs/dbraw/zinc/53/42/63/598534263.db2.gz PIUUKMLREPSTHV-MRXNPFEDSA-N -1 3 350.426 3.318 20 0 FGADHM Brc1cccc(CCCNc2ccc(-c3nnn[n-]3)cn2)c1 ZINC000735369364 598537659 /nfs/dbraw/zinc/53/76/59/598537659.db2.gz RZIZTWRIDRGJAD-UHFFFAOYSA-N -1 3 359.231 3.069 20 0 FGADHM Brc1cccc(CCCNc2ccc(-c3nn[n-]n3)cn2)c1 ZINC000735369364 598537661 /nfs/dbraw/zinc/53/76/61/598537661.db2.gz RZIZTWRIDRGJAD-UHFFFAOYSA-N -1 3 359.231 3.069 20 0 FGADHM Fc1cc(OCc2cc(Cl)c3c(c2)OCCO3)ccc1-c1nnn[n-]1 ZINC000737654371 598548325 /nfs/dbraw/zinc/54/83/25/598548325.db2.gz ZZXXZBSCGYXAPV-UHFFFAOYSA-N -1 3 362.748 3.009 20 0 FGADHM Fc1cc(OCc2cc(Cl)c3c(c2)OCCO3)ccc1-c1nn[n-]n1 ZINC000737654371 598548326 /nfs/dbraw/zinc/54/83/26/598548326.db2.gz ZZXXZBSCGYXAPV-UHFFFAOYSA-N -1 3 362.748 3.009 20 0 FGADHM Fc1cc(OCc2nc(-c3ccc(Cl)cc3)no2)ccc1-c1nnn[n-]1 ZINC000737648677 598550156 /nfs/dbraw/zinc/55/01/56/598550156.db2.gz BICMFMXMPNKYGY-UHFFFAOYSA-N -1 3 372.747 3.288 20 0 FGADHM Fc1cc(OCc2nc(-c3ccc(Cl)cc3)no2)ccc1-c1nn[n-]n1 ZINC000737648677 598550157 /nfs/dbraw/zinc/55/01/57/598550157.db2.gz BICMFMXMPNKYGY-UHFFFAOYSA-N -1 3 372.747 3.288 20 0 FGADHM CC(C)CN(C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)C1CC1 ZINC000735819157 598559828 /nfs/dbraw/zinc/55/98/28/598559828.db2.gz VDNRHQFCJNMOEI-UHFFFAOYSA-N -1 3 366.372 3.120 20 0 FGADHM CC(C)CN(C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)C1CC1 ZINC000735819157 598559829 /nfs/dbraw/zinc/55/98/29/598559829.db2.gz VDNRHQFCJNMOEI-UHFFFAOYSA-N -1 3 366.372 3.120 20 0 FGADHM C[C@@H]1CCCC[C@H]1NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000736273796 598560627 /nfs/dbraw/zinc/56/06/27/598560627.db2.gz RUCLSHLCBSVUIR-MWLCHTKSSA-N -1 3 366.372 3.168 20 0 FGADHM C[C@@H]1CCCC[C@H]1NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000736273796 598560628 /nfs/dbraw/zinc/56/06/28/598560628.db2.gz RUCLSHLCBSVUIR-MWLCHTKSSA-N -1 3 366.372 3.168 20 0 FGADHM CC(C)[C@H]1CCCN1C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000735749631 598561475 /nfs/dbraw/zinc/56/14/75/598561475.db2.gz NTYURTQPKTVMAL-GFCCVEGCSA-N -1 3 366.372 3.120 20 0 FGADHM CC(C)[C@H]1CCCN1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000735749631 598561476 /nfs/dbraw/zinc/56/14/76/598561476.db2.gz NTYURTQPKTVMAL-GFCCVEGCSA-N -1 3 366.372 3.120 20 0 FGADHM CN(C(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)C1CCCCCC1 ZINC000736732160 598576064 /nfs/dbraw/zinc/57/60/64/598576064.db2.gz MZGCSZBYJQLWFP-GOSISDBHSA-N -1 3 368.485 3.017 20 0 FGADHM CCCCCC[C@@H](C)NC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000736447220 598580525 /nfs/dbraw/zinc/58/05/25/598580525.db2.gz SEHCOKITROQJBY-CRAIPNDOSA-N -1 3 370.501 3.311 20 0 FGADHM Fc1ccc(NC(=S)NCCSc2ccccc2)cc1-c1nnn[n-]1 ZINC000737657991 598582695 /nfs/dbraw/zinc/58/26/95/598582695.db2.gz BEXGZKAEXBIQPP-UHFFFAOYSA-N -1 3 374.470 3.085 20 0 FGADHM Fc1ccc(NC(=S)NCCSc2ccccc2)cc1-c1nn[n-]n1 ZINC000737657991 598582697 /nfs/dbraw/zinc/58/26/97/598582697.db2.gz BEXGZKAEXBIQPP-UHFFFAOYSA-N -1 3 374.470 3.085 20 0 FGADHM C[C@H](NC(=O)N(C)[C@@H](C)c1cccc(O)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736113331 598582994 /nfs/dbraw/zinc/58/29/94/598582994.db2.gz YGBVACVLLQRMJJ-STQMWFEESA-N -1 3 366.425 3.036 20 0 FGADHM C[C@H](NC(=O)N(C)[C@@H](C)c1cccc(O)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736113331 598582995 /nfs/dbraw/zinc/58/29/95/598582995.db2.gz YGBVACVLLQRMJJ-STQMWFEESA-N -1 3 366.425 3.036 20 0 FGADHM Cc1ccc(-c2cc(C(=O)Nc3ccc(F)c(-c4nnn[n-]4)c3)on2)cc1 ZINC000737288116 598586426 /nfs/dbraw/zinc/58/64/26/598586426.db2.gz MQSPMMUNMMDGLU-UHFFFAOYSA-N -1 3 364.340 3.222 20 0 FGADHM Cc1ccc(-c2cc(C(=O)Nc3ccc(F)c(-c4nn[n-]n4)c3)on2)cc1 ZINC000737288116 598586428 /nfs/dbraw/zinc/58/64/28/598586428.db2.gz MQSPMMUNMMDGLU-UHFFFAOYSA-N -1 3 364.340 3.222 20 0 FGADHM CSCc1cccc(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737187798 598588113 /nfs/dbraw/zinc/58/81/13/598588113.db2.gz VNHGDXGXGRUPMJ-UHFFFAOYSA-N -1 3 371.491 3.461 20 0 FGADHM CSCc1cccc(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737187798 598588115 /nfs/dbraw/zinc/58/81/15/598588115.db2.gz VNHGDXGXGRUPMJ-UHFFFAOYSA-N -1 3 371.491 3.461 20 0 FGADHM C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736180384 598588479 /nfs/dbraw/zinc/58/84/79/598588479.db2.gz HRGHFEWJHRLCHB-SECBINFHSA-N -1 3 361.764 3.065 20 0 FGADHM C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736180384 598588481 /nfs/dbraw/zinc/58/84/81/598588481.db2.gz HRGHFEWJHRLCHB-SECBINFHSA-N -1 3 361.764 3.065 20 0 FGADHM CC(C)Cc1ccc(CC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000735849448 598588517 /nfs/dbraw/zinc/58/85/17/598588517.db2.gz JDXMBVBLJPWYQN-UHFFFAOYSA-N -1 3 353.401 3.386 20 0 FGADHM CC(C)Cc1ccc(CC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000735849448 598588519 /nfs/dbraw/zinc/58/85/19/598588519.db2.gz JDXMBVBLJPWYQN-UHFFFAOYSA-N -1 3 353.401 3.386 20 0 FGADHM c1ccc(Cc2nc(CSCc3ccc(-c4nnn[n-]4)cc3)no2)cc1 ZINC000738433571 598597311 /nfs/dbraw/zinc/59/73/11/598597311.db2.gz SYBBGCRXGKHFRS-UHFFFAOYSA-N -1 3 364.434 3.274 20 0 FGADHM c1ccc(Cc2nc(CSCc3ccc(-c4nn[n-]n4)cc3)no2)cc1 ZINC000738433571 598597313 /nfs/dbraw/zinc/59/73/13/598597313.db2.gz SYBBGCRXGKHFRS-UHFFFAOYSA-N -1 3 364.434 3.274 20 0 FGADHM CCOc1ccc(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1OCC ZINC000736635483 598599026 /nfs/dbraw/zinc/59/90/26/598599026.db2.gz CQNBRESRDXJFCX-UHFFFAOYSA-N -1 3 371.372 3.056 20 0 FGADHM CCOc1ccc(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1OCC ZINC000736635483 598599027 /nfs/dbraw/zinc/59/90/27/598599027.db2.gz CQNBRESRDXJFCX-UHFFFAOYSA-N -1 3 371.372 3.056 20 0 FGADHM Brc1cccc(-c2noc(-c3ccc(-c4nnn[n-]4)cc3)n2)c1 ZINC000735369362 598608250 /nfs/dbraw/zinc/60/82/50/598608250.db2.gz RXWIUUAYZJNGPK-UHFFFAOYSA-N -1 3 369.182 3.346 20 0 FGADHM Brc1cccc(-c2noc(-c3ccc(-c4nn[n-]n4)cc3)n2)c1 ZINC000735369362 598608252 /nfs/dbraw/zinc/60/82/52/598608252.db2.gz RXWIUUAYZJNGPK-UHFFFAOYSA-N -1 3 369.182 3.346 20 0 FGADHM C[C@H](NC(=O)c1ccc(-c2ccccc2)[nH]1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736117853 598616402 /nfs/dbraw/zinc/61/64/02/598616402.db2.gz HEJHQHPPXIFNLP-ZDUSSCGKSA-N -1 3 358.405 3.353 20 0 FGADHM C[C@H](NC(=O)c1ccc(-c2ccccc2)[nH]1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736117853 598616403 /nfs/dbraw/zinc/61/64/03/598616403.db2.gz HEJHQHPPXIFNLP-ZDUSSCGKSA-N -1 3 358.405 3.353 20 0 FGADHM Cc1ccc2c(c1)CC[C@@H]2NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737377787 598627934 /nfs/dbraw/zinc/62/79/34/598627934.db2.gz OQTUPLNSWGUQDL-INIZCTEOSA-N -1 3 352.373 3.123 20 0 FGADHM Cc1ccc2c(c1)CC[C@@H]2NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737377787 598627935 /nfs/dbraw/zinc/62/79/35/598627935.db2.gz OQTUPLNSWGUQDL-INIZCTEOSA-N -1 3 352.373 3.123 20 0 FGADHM C[C@H](CCc1ccccc1)NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000735992319 598630906 /nfs/dbraw/zinc/63/09/06/598630906.db2.gz BUNOIARUZYCGKW-GFCCVEGCSA-N -1 3 354.389 3.149 20 0 FGADHM C[C@H](CCc1ccccc1)NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000735992319 598630907 /nfs/dbraw/zinc/63/09/07/598630907.db2.gz BUNOIARUZYCGKW-GFCCVEGCSA-N -1 3 354.389 3.149 20 0 FGADHM CN(Cc1ccccc1Cl)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736828841 598631310 /nfs/dbraw/zinc/63/13/10/598631310.db2.gz PYWXGKXMEIZDJT-UHFFFAOYSA-N -1 3 360.780 3.323 20 0 FGADHM CN(Cc1ccccc1Cl)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736828841 598631311 /nfs/dbraw/zinc/63/13/11/598631311.db2.gz PYWXGKXMEIZDJT-UHFFFAOYSA-N -1 3 360.780 3.323 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N[C@@H]1CCCc2ccccc21 ZINC000738165322 598631935 /nfs/dbraw/zinc/63/19/35/598631935.db2.gz CDIGNOYHLYKJIJ-MRXNPFEDSA-N -1 3 352.373 3.205 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N[C@@H]1CCCc2ccccc21 ZINC000738165322 598631937 /nfs/dbraw/zinc/63/19/37/598631937.db2.gz CDIGNOYHLYKJIJ-MRXNPFEDSA-N -1 3 352.373 3.205 20 0 FGADHM Cc1ccc(CCCNC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c(C)c1 ZINC000737338377 598632212 /nfs/dbraw/zinc/63/22/12/598632212.db2.gz SAUAKQTWBKNNBH-UHFFFAOYSA-N -1 3 368.416 3.377 20 0 FGADHM Cc1ccc(CCCNC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c(C)c1 ZINC000737338377 598632213 /nfs/dbraw/zinc/63/22/13/598632213.db2.gz SAUAKQTWBKNNBH-UHFFFAOYSA-N -1 3 368.416 3.377 20 0 FGADHM Clc1ccc(-c2nnn[n-]2)c(NCc2ccc(-n3cccn3)cc2)c1 ZINC000737570972 598633905 /nfs/dbraw/zinc/63/39/05/598633905.db2.gz NXAMNLFFABBENI-UHFFFAOYSA-N -1 3 351.801 3.318 20 0 FGADHM Clc1ccc(-c2nn[n-]n2)c(NCc2ccc(-n3cccn3)cc2)c1 ZINC000737570972 598633906 /nfs/dbraw/zinc/63/39/06/598633906.db2.gz NXAMNLFFABBENI-UHFFFAOYSA-N -1 3 351.801 3.318 20 0 FGADHM Fc1ccc(-c2nc(COc3cccc(-c4nnn[n-]4)c3)co2)cc1F ZINC000737648622 598642909 /nfs/dbraw/zinc/64/29/09/598642909.db2.gz BBQCGRQUOAEMLW-UHFFFAOYSA-N -1 3 355.304 3.379 20 0 FGADHM Fc1ccc(-c2nc(COc3cccc(-c4nn[n-]n4)c3)co2)cc1F ZINC000737648622 598642910 /nfs/dbraw/zinc/64/29/10/598642910.db2.gz BBQCGRQUOAEMLW-UHFFFAOYSA-N -1 3 355.304 3.379 20 0 FGADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)Nc1cccc(F)c1 ZINC000737832292 598644030 /nfs/dbraw/zinc/64/40/30/598644030.db2.gz IWKQZXXEBMEHBT-UHFFFAOYSA-N -1 3 355.373 3.194 20 0 FGADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)Nc1cccc(F)c1 ZINC000737832292 598644032 /nfs/dbraw/zinc/64/40/32/598644032.db2.gz IWKQZXXEBMEHBT-UHFFFAOYSA-N -1 3 355.373 3.194 20 0 FGADHM COc1ccc(OC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737109040 598644893 /nfs/dbraw/zinc/64/48/93/598644893.db2.gz NZPGCAZSRNDTDU-UHFFFAOYSA-N -1 3 368.393 3.030 20 0 FGADHM COc1ccc(OC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737109040 598644895 /nfs/dbraw/zinc/64/48/95/598644895.db2.gz NZPGCAZSRNDTDU-UHFFFAOYSA-N -1 3 368.393 3.030 20 0 FGADHM O=C(OCc1ccccc1)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000738235775 598645851 /nfs/dbraw/zinc/64/58/51/598645851.db2.gz WKZIIVHDJVANNV-UHFFFAOYSA-N -1 3 373.372 3.411 20 0 FGADHM O=C(OCc1ccccc1)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000738235775 598645852 /nfs/dbraw/zinc/64/58/52/598645852.db2.gz WKZIIVHDJVANNV-UHFFFAOYSA-N -1 3 373.372 3.411 20 0 FGADHM CC(C)COc1ncccc1C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735845520 598648474 /nfs/dbraw/zinc/64/84/74/598648474.db2.gz XDDVLTUMVCPRMV-UHFFFAOYSA-N -1 3 372.816 3.202 20 0 FGADHM CC(C)COc1ncccc1C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735845520 598648476 /nfs/dbraw/zinc/64/84/76/598648476.db2.gz XDDVLTUMVCPRMV-UHFFFAOYSA-N -1 3 372.816 3.202 20 0 FGADHM CN(C(=O)CSc1ccc(-c2nnn[n-]2)cc1)[C@@H]1CCc2ccccc21 ZINC000736738623 598650030 /nfs/dbraw/zinc/65/00/30/598650030.db2.gz CPMQHXOWVPXVQJ-QGZVFWFLSA-N -1 3 365.462 3.105 20 0 FGADHM CN(C(=O)CSc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCc2ccccc21 ZINC000736738623 598650031 /nfs/dbraw/zinc/65/00/31/598650031.db2.gz CPMQHXOWVPXVQJ-QGZVFWFLSA-N -1 3 365.462 3.105 20 0 FGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N1CCC[C@H]1C1CCCC1 ZINC000737943075 598655951 /nfs/dbraw/zinc/65/59/51/598655951.db2.gz PJCNWSYXMSFVIH-INIZCTEOSA-N -1 3 357.483 3.140 20 0 FGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N1CCC[C@H]1C1CCCC1 ZINC000737943075 598655953 /nfs/dbraw/zinc/65/59/53/598655953.db2.gz PJCNWSYXMSFVIH-INIZCTEOSA-N -1 3 357.483 3.140 20 0 FGADHM Cc1cc(NC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)ccc1F ZINC000737275606 598660544 /nfs/dbraw/zinc/66/05/44/598660544.db2.gz SCORCDWQXWFRIO-UHFFFAOYSA-N -1 3 357.414 3.186 20 0 FGADHM Cc1cc(NC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)ccc1F ZINC000737275606 598660545 /nfs/dbraw/zinc/66/05/45/598660545.db2.gz SCORCDWQXWFRIO-UHFFFAOYSA-N -1 3 357.414 3.186 20 0 FGADHM Fc1cccc([C@H]2CN(c3ccc(-c4nnn[n-]4)c(Cl)c3)CCO2)c1 ZINC000737668621 598671142 /nfs/dbraw/zinc/67/11/42/598671142.db2.gz WDQCBCUDRBOFEI-MRXNPFEDSA-N -1 3 359.792 3.237 20 0 FGADHM Fc1cccc([C@H]2CN(c3ccc(-c4nn[n-]n4)c(Cl)c3)CCO2)c1 ZINC000737668621 598671144 /nfs/dbraw/zinc/67/11/44/598671144.db2.gz WDQCBCUDRBOFEI-MRXNPFEDSA-N -1 3 359.792 3.237 20 0 FGADHM CC(C)(CNC(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC000735670880 598697195 /nfs/dbraw/zinc/69/71/95/598697195.db2.gz WYYATRHUWWNASH-UHFFFAOYSA-N -1 3 354.389 3.105 20 0 FGADHM CC(C)(CNC(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC000735670880 598697197 /nfs/dbraw/zinc/69/71/97/598697197.db2.gz WYYATRHUWWNASH-UHFFFAOYSA-N -1 3 354.389 3.105 20 0 FGADHM C[C@H](CC(=O)OCc1ccc(F)cc1-c1nnn[n-]1)c1ccccc1F ZINC000735974214 598710133 /nfs/dbraw/zinc/71/01/33/598710133.db2.gz AXNIHKNYHCGHJZ-LLVKDONJSA-N -1 3 358.348 3.382 20 0 FGADHM C[C@H](CC(=O)OCc1ccc(F)cc1-c1nn[n-]n1)c1ccccc1F ZINC000735974214 598710134 /nfs/dbraw/zinc/71/01/34/598710134.db2.gz AXNIHKNYHCGHJZ-LLVKDONJSA-N -1 3 358.348 3.382 20 0 FGADHM Cc1ccc(C(C)(C)CNC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000737316489 598718227 /nfs/dbraw/zinc/71/82/27/598718227.db2.gz DDGKZOORXALNRS-UHFFFAOYSA-N -1 3 368.416 3.414 20 0 FGADHM Cc1ccc(C(C)(C)CNC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000737316489 598718229 /nfs/dbraw/zinc/71/82/29/598718229.db2.gz DDGKZOORXALNRS-UHFFFAOYSA-N -1 3 368.416 3.414 20 0 FGADHM Cc1cccc2[nH]cc(CC(=O)Nc3ccc(Cl)c(-c4nnn[n-]4)c3)c21 ZINC000737409053 598735152 /nfs/dbraw/zinc/73/51/52/598735152.db2.gz PUIOPYYLRKJPMW-UHFFFAOYSA-N -1 3 366.812 3.491 20 0 FGADHM Cc1cccc2[nH]cc(CC(=O)Nc3ccc(Cl)c(-c4nn[n-]n4)c3)c21 ZINC000737409053 598735154 /nfs/dbraw/zinc/73/51/54/598735154.db2.gz PUIOPYYLRKJPMW-UHFFFAOYSA-N -1 3 366.812 3.491 20 0 FGADHM CCS[C@H]1CCCCN(C(=S)Nc2ccccc2-c2nnn[n-]2)C1 ZINC000736664142 598741678 /nfs/dbraw/zinc/74/16/78/598741678.db2.gz IXRLRQQNFWPKFQ-LBPRGKRZSA-N -1 3 362.528 3.171 20 0 FGADHM CCS[C@H]1CCCCN(C(=S)Nc2ccccc2-c2nn[n-]n2)C1 ZINC000736664142 598741680 /nfs/dbraw/zinc/74/16/80/598741680.db2.gz IXRLRQQNFWPKFQ-LBPRGKRZSA-N -1 3 362.528 3.171 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@@H](C)Cc1ccccc1 ZINC000736629584 598741788 /nfs/dbraw/zinc/74/17/88/598741788.db2.gz WXSGXBMZBAJUCP-ZDUSSCGKSA-N -1 3 352.394 3.050 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@@H](C)Cc1ccccc1 ZINC000736629584 598741789 /nfs/dbraw/zinc/74/17/89/598741789.db2.gz WXSGXBMZBAJUCP-ZDUSSCGKSA-N -1 3 352.394 3.050 20 0 FGADHM CCC[C@@H](C)CC(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736422957 598745430 /nfs/dbraw/zinc/74/54/30/598745430.db2.gz LERLENSLBYTUQI-CQSZACIVSA-N -1 3 357.458 3.063 20 0 FGADHM CC[C@H](Cc1ccccc1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC000736354572 598763282 /nfs/dbraw/zinc/76/32/82/598763282.db2.gz UNUTZEVXSGKJCL-CQSZACIVSA-N -1 3 351.410 3.083 20 0 FGADHM CC[C@H](Cc1ccccc1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC000736354572 598763283 /nfs/dbraw/zinc/76/32/83/598763283.db2.gz UNUTZEVXSGKJCL-CQSZACIVSA-N -1 3 351.410 3.083 20 0 FGADHM CCCCN(Cc1cn2ccccc2c1-c1nnn[n-]1)CC(F)(F)F ZINC000736457008 598775456 /nfs/dbraw/zinc/77/54/56/598775456.db2.gz JQVBRYNEPCTYRC-UHFFFAOYSA-N -1 3 352.364 3.284 20 0 FGADHM CCCCN(Cc1cn2ccccc2c1-c1nn[n-]n1)CC(F)(F)F ZINC000736457008 598775457 /nfs/dbraw/zinc/77/54/57/598775457.db2.gz JQVBRYNEPCTYRC-UHFFFAOYSA-N -1 3 352.364 3.284 20 0 FGADHM CCOC(=O)N[C@@H](CNc1ccc(Cl)cc1-c1nnn[n-]1)CC(C)C ZINC000736599693 598792950 /nfs/dbraw/zinc/79/29/50/598792950.db2.gz CZSWDNZOUTZXGS-GFCCVEGCSA-N -1 3 366.853 3.093 20 0 FGADHM CCOC(=O)N[C@@H](CNc1ccc(Cl)cc1-c1nn[n-]n1)CC(C)C ZINC000736599693 598792951 /nfs/dbraw/zinc/79/29/51/598792951.db2.gz CZSWDNZOUTZXGS-GFCCVEGCSA-N -1 3 366.853 3.093 20 0 FGADHM O=C1CCCN1c1cccc(CNc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000738304525 598793620 /nfs/dbraw/zinc/79/36/20/598793620.db2.gz NOEKZFSWDHWDNC-UHFFFAOYSA-N -1 3 368.828 3.259 20 0 FGADHM O=C1CCCN1c1cccc(CNc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000738304525 598793621 /nfs/dbraw/zinc/79/36/21/598793621.db2.gz NOEKZFSWDHWDNC-UHFFFAOYSA-N -1 3 368.828 3.259 20 0 FGADHM Fc1cc(CNc2ccc(Cl)cc2-c2nnn[n-]2)ccc1-n1ccnc1 ZINC000737644776 598794856 /nfs/dbraw/zinc/79/48/56/598794856.db2.gz LVAXNDQBYUJLBZ-UHFFFAOYSA-N -1 3 369.791 3.457 20 0 FGADHM Fc1cc(CNc2ccc(Cl)cc2-c2nn[n-]n2)ccc1-n1ccnc1 ZINC000737644776 598794858 /nfs/dbraw/zinc/79/48/58/598794858.db2.gz LVAXNDQBYUJLBZ-UHFFFAOYSA-N -1 3 369.791 3.457 20 0 FGADHM Cc1nc(CCC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)cs1 ZINC000737471844 598803107 /nfs/dbraw/zinc/80/31/07/598803107.db2.gz NXNHQJLTIKFWQY-UHFFFAOYSA-N -1 3 370.482 3.001 20 0 FGADHM Cc1nc(CCC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)cs1 ZINC000737471844 598803108 /nfs/dbraw/zinc/80/31/08/598803108.db2.gz NXNHQJLTIKFWQY-UHFFFAOYSA-N -1 3 370.482 3.001 20 0 FGADHM CC(C)[C@H](C)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000735701726 598803672 /nfs/dbraw/zinc/80/36/72/598803672.db2.gz KTFAXMOCEQPUCW-LBPRGKRZSA-N -1 3 352.398 3.285 20 0 FGADHM CC(C)[C@H](C)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000735701726 598803673 /nfs/dbraw/zinc/80/36/73/598803673.db2.gz KTFAXMOCEQPUCW-LBPRGKRZSA-N -1 3 352.398 3.285 20 0 FGADHM Cc1cc(OCCCC(=O)Nc2ccc(-c3nnn[n-]3)cn2)ccc1Cl ZINC000737279212 598804498 /nfs/dbraw/zinc/80/44/98/598804498.db2.gz OJYIIUQZWPEUFZ-UHFFFAOYSA-N -1 3 372.816 3.021 20 0 FGADHM Cc1cc(OCCCC(=O)Nc2ccc(-c3nn[n-]n3)cn2)ccc1Cl ZINC000737279212 598804499 /nfs/dbraw/zinc/80/44/99/598804499.db2.gz OJYIIUQZWPEUFZ-UHFFFAOYSA-N -1 3 372.816 3.021 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cn1)c1ccc(Oc2ccccc2)cc1 ZINC000738150382 598806569 /nfs/dbraw/zinc/80/65/69/598806569.db2.gz KDCMKWHWHGAWPP-UHFFFAOYSA-N -1 3 358.361 3.306 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cn1)c1ccc(Oc2ccccc2)cc1 ZINC000738150382 598806570 /nfs/dbraw/zinc/80/65/70/598806570.db2.gz KDCMKWHWHGAWPP-UHFFFAOYSA-N -1 3 358.361 3.306 20 0 FGADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@H]1CC[C@@H](C)C[C@@H]1C ZINC000736242100 598808188 /nfs/dbraw/zinc/80/81/88/598808188.db2.gz PPDOYNUYVFCPJW-YQYZPQCESA-N -1 3 371.485 3.211 20 0 FGADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@H]1CC[C@@H](C)C[C@@H]1C ZINC000736242100 598808189 /nfs/dbraw/zinc/80/81/89/598808189.db2.gz PPDOYNUYVFCPJW-YQYZPQCESA-N -1 3 371.485 3.211 20 0 FGADHM COc1ccc(OC)c(CN(c2ccc(-c3nn[n-]n3)cc2)C2CC2)c1 ZINC000737110087 598815032 /nfs/dbraw/zinc/81/50/32/598815032.db2.gz SHGCPIJVGUVQPB-UHFFFAOYSA-N -1 3 351.410 3.053 20 0 FGADHM CCC[C@@H]1CCc2c(sc(=O)n2Cc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000736434038 598818233 /nfs/dbraw/zinc/81/82/33/598818233.db2.gz CDVXKWSAZAJXSL-LLVKDONJSA-N -1 3 373.457 3.182 20 0 FGADHM CCC[C@@H]1CCc2c(sc(=O)n2Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000736434038 598818234 /nfs/dbraw/zinc/81/82/34/598818234.db2.gz CDVXKWSAZAJXSL-LLVKDONJSA-N -1 3 373.457 3.182 20 0 FGADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)[C@@H]1CSc2ccccc21 ZINC000738162853 599293000 /nfs/dbraw/zinc/29/30/00/599293000.db2.gz GACDVUGTTLEOAU-GFCCVEGCSA-N -1 3 357.826 3.348 20 0 FGADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)[C@@H]1CSc2ccccc21 ZINC000738162853 599293003 /nfs/dbraw/zinc/29/30/03/599293003.db2.gz GACDVUGTTLEOAU-GFCCVEGCSA-N -1 3 357.826 3.348 20 0 FGADHM C[C@H]1C[C@H]1NC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000820675479 599296732 /nfs/dbraw/zinc/29/67/32/599296732.db2.gz JIYQVNZOHRARHP-IINYFYTJSA-N -1 3 368.372 3.328 20 0 FGADHM C[C@H]1C[C@H]1NC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000820675479 599296733 /nfs/dbraw/zinc/29/67/33/599296733.db2.gz JIYQVNZOHRARHP-IINYFYTJSA-N -1 3 368.372 3.328 20 0 FGADHM CCN(C(=O)c1ccccc1Br)c1ccc(-c2nnn[n-]2)cc1 ZINC000736507491 599310353 /nfs/dbraw/zinc/31/03/53/599310353.db2.gz DKIFRCJKNRHSPG-UHFFFAOYSA-N -1 3 372.226 3.296 20 0 FGADHM CCN(C(=O)c1ccccc1Br)c1ccc(-c2nn[n-]n2)cc1 ZINC000736507491 599310356 /nfs/dbraw/zinc/31/03/56/599310356.db2.gz DKIFRCJKNRHSPG-UHFFFAOYSA-N -1 3 372.226 3.296 20 0 FGADHM CN(C(=O)Cc1c(Cl)cccc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000736740012 599310814 /nfs/dbraw/zinc/31/08/14/599310814.db2.gz XHJPYNRQQDIETQ-UHFFFAOYSA-N -1 3 362.220 3.379 20 0 FGADHM CN(C(=O)Cc1c(Cl)cccc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000736740012 599310817 /nfs/dbraw/zinc/31/08/17/599310817.db2.gz XHJPYNRQQDIETQ-UHFFFAOYSA-N -1 3 362.220 3.379 20 0 FGADHM c1ccc(N2CCCCC2)c(NCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000738417753 599326447 /nfs/dbraw/zinc/32/64/47/599326447.db2.gz AQLNYUWLESWVCI-UHFFFAOYSA-N -1 3 364.453 3.348 20 0 FGADHM c1ccc(N2CCCCC2)c(NCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC000738417753 599326450 /nfs/dbraw/zinc/32/64/50/599326450.db2.gz AQLNYUWLESWVCI-UHFFFAOYSA-N -1 3 364.453 3.348 20 0 FGADHM CSc1nnc(CNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)s1 ZINC000737190712 599330266 /nfs/dbraw/zinc/33/02/66/599330266.db2.gz ZWQXKCAJLKTIPQ-UHFFFAOYSA-N -1 3 373.389 3.071 20 0 FGADHM CSc1nnc(CNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)s1 ZINC000737190712 599330268 /nfs/dbraw/zinc/33/02/68/599330268.db2.gz ZWQXKCAJLKTIPQ-UHFFFAOYSA-N -1 3 373.389 3.071 20 0 FGADHM CC(C)(C)OC(=O)N1CC[C@H](CSc2ccccc2-c2nnn[n-]2)C1 ZINC000819933148 599341719 /nfs/dbraw/zinc/34/17/19/599341719.db2.gz HUJJYURNZNCKIS-LBPRGKRZSA-N -1 3 361.471 3.216 20 0 FGADHM CC(C)(C)OC(=O)N1CC[C@H](CSc2ccccc2-c2nn[n-]n2)C1 ZINC000819933148 599341722 /nfs/dbraw/zinc/34/17/22/599341722.db2.gz HUJJYURNZNCKIS-LBPRGKRZSA-N -1 3 361.471 3.216 20 0 FGADHM COC(=O)/C(C)=C/CSc1nc(-c2ccccc2)ccc1-c1nnn[n-]1 ZINC000821639223 599342457 /nfs/dbraw/zinc/34/24/57/599342457.db2.gz SIMVXSXDMXTIMV-ZRDIBKRKSA-N -1 3 367.434 3.140 20 0 FGADHM COC(=O)/C(C)=C/CSc1nc(-c2ccccc2)ccc1-c1nn[n-]n1 ZINC000821639223 599342459 /nfs/dbraw/zinc/34/24/59/599342459.db2.gz SIMVXSXDMXTIMV-ZRDIBKRKSA-N -1 3 367.434 3.140 20 0 FGADHM c1ccc(-c2nnn[n-]2)c(SCCCc2nc(-c3ccncc3)no2)c1 ZINC000823773283 599343610 /nfs/dbraw/zinc/34/36/10/599343610.db2.gz TXRLIWIAMFUZAC-UHFFFAOYSA-N -1 3 365.422 3.037 20 0 FGADHM c1ccc(-c2nn[n-]n2)c(SCCCc2nc(-c3ccncc3)no2)c1 ZINC000823773283 599343612 /nfs/dbraw/zinc/34/36/12/599343612.db2.gz TXRLIWIAMFUZAC-UHFFFAOYSA-N -1 3 365.422 3.037 20 0 FGADHM COc1ccc(C)cc1NC(=O)[C@H](C)Sc1ccccc1-c1nnn[n-]1 ZINC000821782288 599345201 /nfs/dbraw/zinc/34/52/01/599345201.db2.gz CPNVDGCXOKBCJX-LBPRGKRZSA-N -1 3 369.450 3.303 20 0 FGADHM COc1ccc(C)cc1NC(=O)[C@H](C)Sc1ccccc1-c1nn[n-]n1 ZINC000821782288 599345203 /nfs/dbraw/zinc/34/52/03/599345203.db2.gz CPNVDGCXOKBCJX-LBPRGKRZSA-N -1 3 369.450 3.303 20 0 FGADHM CC(C)[C@H](NC(=O)CSc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000820027383 599346218 /nfs/dbraw/zinc/34/62/18/599346218.db2.gz RIVSBDMTOIUJKV-SFHVURJKSA-N -1 3 367.478 3.472 20 0 FGADHM CC(C)[C@H](NC(=O)CSc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000820027383 599346221 /nfs/dbraw/zinc/34/62/21/599346221.db2.gz RIVSBDMTOIUJKV-SFHVURJKSA-N -1 3 367.478 3.472 20 0 FGADHM COc1cccc(CNc2ccc(Br)cc2-c2nnn[n-]2)c1 ZINC000737133019 599361901 /nfs/dbraw/zinc/36/19/01/599361901.db2.gz VIIXMJHJLRIJMB-UHFFFAOYSA-N -1 3 360.215 3.250 20 0 FGADHM COc1cccc(CNc2ccc(Br)cc2-c2nn[n-]n2)c1 ZINC000737133019 599361904 /nfs/dbraw/zinc/36/19/04/599361904.db2.gz VIIXMJHJLRIJMB-UHFFFAOYSA-N -1 3 360.215 3.250 20 0 FGADHM C[C@@H](Nc1ccc(OCC(F)(F)F)nc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820456964 599367100 /nfs/dbraw/zinc/36/71/00/599367100.db2.gz XVHQCJVQNDUAHP-SNVBAGLBSA-N -1 3 364.331 3.376 20 0 FGADHM C[C@@H](Nc1ccc(OCC(F)(F)F)nc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820456964 599367103 /nfs/dbraw/zinc/36/71/03/599367103.db2.gz XVHQCJVQNDUAHP-SNVBAGLBSA-N -1 3 364.331 3.376 20 0 FGADHM O=C(NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1)[C@H]1CCCS1 ZINC000823253018 599385953 /nfs/dbraw/zinc/38/59/53/599385953.db2.gz FGANWBAXVZQCOG-OAHLLOKOSA-N -1 3 371.491 3.107 20 0 FGADHM Cc1ccc(NC(=O)CNc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)cc1 ZINC000822242281 607373730 /nfs/dbraw/zinc/37/37/30/607373730.db2.gz GSHCMUJOXKUVFB-UHFFFAOYSA-N -1 3 366.425 3.013 20 0 FGADHM Cc1ccc(NC(=O)CNc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)cc1 ZINC000822242281 607373731 /nfs/dbraw/zinc/37/37/31/607373731.db2.gz GSHCMUJOXKUVFB-UHFFFAOYSA-N -1 3 366.425 3.013 20 0 FGADHM COc1ccc(CNc2cc(-c3nnn[n-]3)c3ccccc3n2)cc1F ZINC000737095665 599405069 /nfs/dbraw/zinc/40/50/69/599405069.db2.gz MOXILYHMNCJHCC-UHFFFAOYSA-N -1 3 350.357 3.175 20 0 FGADHM COc1ccc(CNc2cc(-c3nn[n-]n3)c3ccccc3n2)cc1F ZINC000737095665 599405072 /nfs/dbraw/zinc/40/50/72/599405072.db2.gz MOXILYHMNCJHCC-UHFFFAOYSA-N -1 3 350.357 3.175 20 0 FGADHM c1coc(COCc2cccc(CNCc3ccc(-c4nnn[n-]4)o3)c2)c1 ZINC000823751260 599405875 /nfs/dbraw/zinc/40/58/75/599405875.db2.gz CPPOWHFQWKYUHC-UHFFFAOYSA-N -1 3 365.393 3.059 20 0 FGADHM CCCOc1ccc([C@@H](C)NCc2ccc(-c3nnn[n-]3)o2)cc1OC ZINC000821133536 599406177 /nfs/dbraw/zinc/40/61/77/599406177.db2.gz AAWJLUYLWZPGKM-GFCCVEGCSA-N -1 3 357.414 3.108 20 0 FGADHM C[C@@H]1CCCC[C@@H]1OCCNc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000736271051 599409102 /nfs/dbraw/zinc/40/91/02/599409102.db2.gz MGQDVAAIKJJBPU-DYVFJYSZSA-N -1 3 352.442 3.422 20 0 FGADHM C[C@@H]1CCCC[C@@H]1OCCNc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000736271051 599409103 /nfs/dbraw/zinc/40/91/03/599409103.db2.gz MGQDVAAIKJJBPU-DYVFJYSZSA-N -1 3 352.442 3.422 20 0 FGADHM C[C@H](NC(=O)NCc1ccc([C@@H]2C[C@H]2C)o1)c1cccc(-c2nnn[n-]2)c1 ZINC000820374467 599411581 /nfs/dbraw/zinc/41/15/81/599411581.db2.gz NYYJONJLYSPEEN-BFQNTYOBSA-N -1 3 366.425 3.144 20 0 FGADHM C[C@H](NC(=O)NCc1ccc([C@@H]2C[C@H]2C)o1)c1cccc(-c2nn[n-]n2)c1 ZINC000820374467 599411582 /nfs/dbraw/zinc/41/15/82/599411582.db2.gz NYYJONJLYSPEEN-BFQNTYOBSA-N -1 3 366.425 3.144 20 0 FGADHM COCCOc1ccccc1CNc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000737014766 599416719 /nfs/dbraw/zinc/41/67/19/599416719.db2.gz QZBHTPZDXKXHFE-UHFFFAOYSA-N -1 3 359.817 3.157 20 0 FGADHM COCCOc1ccccc1CNc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000737014766 599416721 /nfs/dbraw/zinc/41/67/21/599416721.db2.gz QZBHTPZDXKXHFE-UHFFFAOYSA-N -1 3 359.817 3.157 20 0 FGADHM C[C@@H](NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1cc(F)ccc1F ZINC000820351450 599416891 /nfs/dbraw/zinc/41/68/91/599416891.db2.gz PEPNRRVWYWANQI-WDEREUQCSA-N -1 3 372.379 3.266 20 0 FGADHM C[C@@H](NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1cc(F)ccc1F ZINC000820351450 599416894 /nfs/dbraw/zinc/41/68/94/599416894.db2.gz PEPNRRVWYWANQI-WDEREUQCSA-N -1 3 372.379 3.266 20 0 FGADHM C[C@H]1CN(c2cc(-c3nnn[n-]3)c3ccccc3n2)C[C@H](c2ccccc2)O1 ZINC000736286301 599418634 /nfs/dbraw/zinc/41/86/34/599418634.db2.gz BLJQBEYHAHFIEZ-IFXJQAMLSA-N -1 3 372.432 3.381 20 0 FGADHM C[C@H]1CN(c2cc(-c3nn[n-]n3)c3ccccc3n2)C[C@H](c2ccccc2)O1 ZINC000736286301 599418637 /nfs/dbraw/zinc/41/86/37/599418637.db2.gz BLJQBEYHAHFIEZ-IFXJQAMLSA-N -1 3 372.432 3.381 20 0 FGADHM c1cc(-c2nnn[n-]2)oc1CNCc1ccccc1OCc1ccccc1 ZINC000823787713 599418911 /nfs/dbraw/zinc/41/89/11/599418911.db2.gz PPOZNOXWOAEFRW-UHFFFAOYSA-N -1 3 361.405 3.329 20 0 FGADHM c1cc(-c2nn[n-]n2)oc1CNCc1ccccc1OCc1ccccc1 ZINC000823787713 599418913 /nfs/dbraw/zinc/41/89/13/599418913.db2.gz PPOZNOXWOAEFRW-UHFFFAOYSA-N -1 3 361.405 3.329 20 0 FGADHM C[C@H](NC(=O)N[C@@H]1CCc2cc(F)ccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820356767 599422125 /nfs/dbraw/zinc/42/21/25/599422125.db2.gz BOPYPSIOTNLJBU-APPDUMDISA-N -1 3 366.400 3.054 20 0 FGADHM C[C@H](NC(=O)N[C@@H]1CCc2cc(F)ccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820356767 599422127 /nfs/dbraw/zinc/42/21/27/599422127.db2.gz BOPYPSIOTNLJBU-APPDUMDISA-N -1 3 366.400 3.054 20 0 FGADHM CCCC[C@@H]1CCC[C@H]1NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000821042732 599434222 /nfs/dbraw/zinc/43/42/22/599434222.db2.gz GXWDBAHKOSFIDW-MLGOLLRUSA-N -1 3 360.437 3.164 20 0 FGADHM CCCC[C@@H]1CCC[C@H]1NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000821042732 599434225 /nfs/dbraw/zinc/43/42/25/599434225.db2.gz GXWDBAHKOSFIDW-MLGOLLRUSA-N -1 3 360.437 3.164 20 0 FGADHM Cc1ccc(/C=C\CC(=O)OCC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826285837 607378214 /nfs/dbraw/zinc/37/82/14/607378214.db2.gz LCUDJBPRJHBCCG-IHWYPQMZSA-N -1 3 362.389 3.005 20 0 FGADHM Cc1ccc(/C=C\CC(=O)OCC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826285837 607378217 /nfs/dbraw/zinc/37/82/17/607378217.db2.gz LCUDJBPRJHBCCG-IHWYPQMZSA-N -1 3 362.389 3.005 20 0 FGADHM CC(C)(C)c1ccc(C(=O)OCC(=O)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000824136644 607378807 /nfs/dbraw/zinc/37/88/07/607378807.db2.gz STFILKKNLWXORW-UHFFFAOYSA-N -1 3 370.434 3.265 20 0 FGADHM CC(C)(C)c1ccc(C(=O)OCC(=O)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000824136644 607378809 /nfs/dbraw/zinc/37/88/09/607378809.db2.gz STFILKKNLWXORW-UHFFFAOYSA-N -1 3 370.434 3.265 20 0 FGADHM c1ccc(N2CCC[C@H](Nc3cc(-c4nnn[n-]4)c4ccccc4n3)C2)cc1 ZINC000738434644 599440800 /nfs/dbraw/zinc/44/08/00/599440800.db2.gz HEFVIEPPJNCHJP-HNNXBMFYSA-N -1 3 371.448 3.496 20 0 FGADHM c1ccc(N2CCC[C@H](Nc3cc(-c4nn[n-]n4)c4ccccc4n3)C2)cc1 ZINC000738434644 599440802 /nfs/dbraw/zinc/44/08/02/599440802.db2.gz HEFVIEPPJNCHJP-HNNXBMFYSA-N -1 3 371.448 3.496 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)CCc1cc(Cl)cs1 ZINC000737056264 599465902 /nfs/dbraw/zinc/46/59/02/599465902.db2.gz BBDQOJITVSJQLM-UHFFFAOYSA-N -1 3 363.830 3.162 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)CCc1cc(Cl)cs1 ZINC000737056264 599465903 /nfs/dbraw/zinc/46/59/03/599465903.db2.gz BBDQOJITVSJQLM-UHFFFAOYSA-N -1 3 363.830 3.162 20 0 FGADHM C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736234816 599468536 /nfs/dbraw/zinc/46/85/36/599468536.db2.gz KUHYWEZKUCPPDO-LRDDRELGSA-N -1 3 351.385 3.024 20 0 FGADHM C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736234816 599468537 /nfs/dbraw/zinc/46/85/37/599468537.db2.gz KUHYWEZKUCPPDO-LRDDRELGSA-N -1 3 351.385 3.024 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N[C@H](Cc1ccccc1)C1CC1 ZINC000737795610 599468817 /nfs/dbraw/zinc/46/88/17/599468817.db2.gz BBGOVEDOMOKJIC-JXOMPUQVSA-N -1 3 359.433 3.017 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N[C@H](Cc1ccccc1)C1CC1 ZINC000737795610 599468819 /nfs/dbraw/zinc/46/88/19/599468819.db2.gz BBGOVEDOMOKJIC-JXOMPUQVSA-N -1 3 359.433 3.017 20 0 FGADHM Cc1cc(C)c(-c2nnn[n-]2)c(N2CC[C@H](Cc3ccc(F)cc3)C2)n1 ZINC000737243888 599472532 /nfs/dbraw/zinc/47/25/32/599472532.db2.gz BZMWWRFNFHPVQB-OAHLLOKOSA-N -1 3 352.417 3.087 20 0 FGADHM Cc1cc(C)c(-c2nn[n-]n2)c(N2CC[C@H](Cc3ccc(F)cc3)C2)n1 ZINC000737243888 599472534 /nfs/dbraw/zinc/47/25/34/599472534.db2.gz BZMWWRFNFHPVQB-OAHLLOKOSA-N -1 3 352.417 3.087 20 0 FGADHM Fc1ccc(C[C@H]2CCN(c3c(F)cc(-c4nnn[n-]4)cc3F)C2)cc1 ZINC000737650329 599473233 /nfs/dbraw/zinc/47/32/33/599473233.db2.gz NVVJUCCUUXPTCT-GFCCVEGCSA-N -1 3 359.355 3.353 20 0 FGADHM Fc1ccc(C[C@H]2CCN(c3c(F)cc(-c4nn[n-]n4)cc3F)C2)cc1 ZINC000737650329 599473234 /nfs/dbraw/zinc/47/32/34/599473234.db2.gz NVVJUCCUUXPTCT-GFCCVEGCSA-N -1 3 359.355 3.353 20 0 FGADHM C[C@H](NC(=O)N[C@H]1CCCc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820359317 599473875 /nfs/dbraw/zinc/47/38/75/599473875.db2.gz SCOZKOZVZAKILC-UGSOOPFHSA-N -1 3 362.437 3.305 20 0 FGADHM C[C@H](NC(=O)N[C@H]1CCCc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820359317 599473876 /nfs/dbraw/zinc/47/38/76/599473876.db2.gz SCOZKOZVZAKILC-UGSOOPFHSA-N -1 3 362.437 3.305 20 0 FGADHM CCO[C@@H](C)c1nc(CN(C)Cc2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000736616673 599475065 /nfs/dbraw/zinc/47/50/65/599475065.db2.gz OVJDSLVLRCIQJN-LBPRGKRZSA-N -1 3 358.471 3.053 20 0 FGADHM CCO[C@@H](C)c1nc(CN(C)Cc2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000736616673 599475068 /nfs/dbraw/zinc/47/50/68/599475068.db2.gz OVJDSLVLRCIQJN-LBPRGKRZSA-N -1 3 358.471 3.053 20 0 FGADHM COc1cc([C@@H](C)Nc2ccc(F)cc2-c2nnn[n-]2)cc(OC)c1OC ZINC000821708524 599477508 /nfs/dbraw/zinc/47/75/08/599477508.db2.gz RSNJXANXVBGDHP-SNVBAGLBSA-N -1 3 373.388 3.205 20 0 FGADHM COc1cc([C@@H](C)Nc2ccc(F)cc2-c2nn[n-]n2)cc(OC)c1OC ZINC000821708524 599477510 /nfs/dbraw/zinc/47/75/10/599477510.db2.gz RSNJXANXVBGDHP-SNVBAGLBSA-N -1 3 373.388 3.205 20 0 FGADHM C[C@H](NC(=O)N1CCC[C@]2(CC=CCC2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820348474 599480943 /nfs/dbraw/zinc/48/09/43/599480943.db2.gz CYHBOPNTPAGLKW-MGPUTAFESA-N -1 3 366.469 3.460 20 0 FGADHM C[C@H](NC(=O)N1CCC[C@]2(CC=CCC2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820348474 599480947 /nfs/dbraw/zinc/48/09/47/599480947.db2.gz CYHBOPNTPAGLKW-MGPUTAFESA-N -1 3 366.469 3.460 20 0 FGADHM CC[C@@H](NC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000820919964 599485472 /nfs/dbraw/zinc/48/54/72/599485472.db2.gz IKNHOXNUJANRFG-CXAGYDPISA-N -1 3 350.426 3.378 20 0 FGADHM CC[C@@H](NC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000820919964 599485473 /nfs/dbraw/zinc/48/54/73/599485473.db2.gz IKNHOXNUJANRFG-CXAGYDPISA-N -1 3 350.426 3.378 20 0 FGADHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(N3C[C@H](C)OC(C)(C)C3)c2c1 ZINC000822195195 599495950 /nfs/dbraw/zinc/49/59/50/599495950.db2.gz JWLRHCXHJJAYEQ-ZDUSSCGKSA-N -1 3 352.442 3.035 20 0 FGADHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(N3C[C@H](C)OC(C)(C)C3)c2c1 ZINC000822195195 599495951 /nfs/dbraw/zinc/49/59/51/599495951.db2.gz JWLRHCXHJJAYEQ-ZDUSSCGKSA-N -1 3 352.442 3.035 20 0 FGADHM C[C@@H](Nc1ccc(F)cc1-c1nnn[n-]1)c1cccc(N2CCOC2=O)c1 ZINC000820455918 599497095 /nfs/dbraw/zinc/49/70/95/599497095.db2.gz OKASPZTXQNXSQB-LLVKDONJSA-N -1 3 368.372 3.136 20 0 FGADHM C[C@@H](Nc1ccc(F)cc1-c1nn[n-]n1)c1cccc(N2CCOC2=O)c1 ZINC000820455918 599497098 /nfs/dbraw/zinc/49/70/98/599497098.db2.gz OKASPZTXQNXSQB-LLVKDONJSA-N -1 3 368.372 3.136 20 0 FGADHM C[C@H](NC(=O)c1cc2cc(F)ccc2o1)c1cccc(-c2nnn[n-]2)c1 ZINC000820390614 599498838 /nfs/dbraw/zinc/49/88/38/599498838.db2.gz JGLFFSVCZIAYMN-JTQLQIEISA-N -1 3 351.341 3.243 20 0 FGADHM C[C@H](NC(=O)c1cc2cc(F)ccc2o1)c1cccc(-c2nn[n-]n2)c1 ZINC000820390614 599498841 /nfs/dbraw/zinc/49/88/41/599498841.db2.gz JGLFFSVCZIAYMN-JTQLQIEISA-N -1 3 351.341 3.243 20 0 FGADHM c1cn(-c2ccc(CNc3cc(-c4nnn[n-]4)nc4ccccc43)cc2)cn1 ZINC000823797780 599499697 /nfs/dbraw/zinc/49/96/97/599499697.db2.gz RRUJVOMKHSFWPN-UHFFFAOYSA-N -1 3 368.404 3.213 20 0 FGADHM COc1ccccc1[C@@H](C)CC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821883604 599507899 /nfs/dbraw/zinc/50/78/99/599507899.db2.gz YCZZAELDVXOZIK-UONOGXRCSA-N -1 3 365.437 3.246 20 0 FGADHM COc1ccccc1[C@@H](C)CC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821883604 599507901 /nfs/dbraw/zinc/50/79/01/599507901.db2.gz YCZZAELDVXOZIK-UONOGXRCSA-N -1 3 365.437 3.246 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCc1csc(C(C)(C)C)n1 ZINC000826252623 607381853 /nfs/dbraw/zinc/38/18/53/607381853.db2.gz KYELYFFAWBCYTE-UHFFFAOYSA-N -1 3 357.439 3.286 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCc1csc(C(C)(C)C)n1 ZINC000826252623 607381854 /nfs/dbraw/zinc/38/18/54/607381854.db2.gz KYELYFFAWBCYTE-UHFFFAOYSA-N -1 3 357.439 3.286 20 0 FGADHM C[C@@H](CC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1cccc(F)c1 ZINC000820218866 599513372 /nfs/dbraw/zinc/51/33/72/599513372.db2.gz AVYUKSPWEMJIPO-STQMWFEESA-N -1 3 353.401 3.377 20 0 FGADHM C[C@@H](CC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1cccc(F)c1 ZINC000820218866 599513375 /nfs/dbraw/zinc/51/33/75/599513375.db2.gz AVYUKSPWEMJIPO-STQMWFEESA-N -1 3 353.401 3.377 20 0 FGADHM CC(C)Oc1ccccc1CC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820178570 599513543 /nfs/dbraw/zinc/51/35/43/599513543.db2.gz UHQSBIPMNUDKED-CQSZACIVSA-N -1 3 365.437 3.074 20 0 FGADHM CC(C)Oc1ccccc1CC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820178570 599513544 /nfs/dbraw/zinc/51/35/44/599513544.db2.gz UHQSBIPMNUDKED-CQSZACIVSA-N -1 3 365.437 3.074 20 0 FGADHM CC(C)c1ccccc1OCC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820197525 599522542 /nfs/dbraw/zinc/52/25/42/599522542.db2.gz LBMADKOWIRFTMW-AWEZNQCLSA-N -1 3 365.437 3.246 20 0 FGADHM CC(C)c1ccccc1OCC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820197525 599522545 /nfs/dbraw/zinc/52/25/45/599522545.db2.gz LBMADKOWIRFTMW-AWEZNQCLSA-N -1 3 365.437 3.246 20 0 FGADHM COc1ccccc1[C@@H]1CCN(c2cc(-c3nnn[n-]3)c3ccccc3n2)C1 ZINC000737147532 599537606 /nfs/dbraw/zinc/53/76/06/599537606.db2.gz MMRJDBYVNSRMEB-CQSZACIVSA-N -1 3 372.432 3.417 20 0 FGADHM COc1ccccc1[C@@H]1CCN(c2cc(-c3nn[n-]n3)c3ccccc3n2)C1 ZINC000737147532 599537608 /nfs/dbraw/zinc/53/76/08/599537608.db2.gz MMRJDBYVNSRMEB-CQSZACIVSA-N -1 3 372.432 3.417 20 0 FGADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)c1coc(-c2ccccc2)n1 ZINC000738163280 599543027 /nfs/dbraw/zinc/54/30/27/599543027.db2.gz KRZWKUNUOOHPMC-UHFFFAOYSA-N -1 3 366.768 3.427 20 0 FGADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)c1coc(-c2ccccc2)n1 ZINC000738163280 599543029 /nfs/dbraw/zinc/54/30/29/599543029.db2.gz KRZWKUNUOOHPMC-UHFFFAOYSA-N -1 3 366.768 3.427 20 0 FGADHM O[C@H](CNc1ccc(F)cc1-c1nnn[n-]1)c1cccc(C(F)(F)F)c1 ZINC000823690327 599545709 /nfs/dbraw/zinc/54/57/09/599545709.db2.gz NIMPKXIQOWRWIZ-CQSZACIVSA-N -1 3 367.306 3.170 20 0 FGADHM O[C@H](CNc1ccc(F)cc1-c1nn[n-]n1)c1cccc(C(F)(F)F)c1 ZINC000823690327 599545710 /nfs/dbraw/zinc/54/57/10/599545710.db2.gz NIMPKXIQOWRWIZ-CQSZACIVSA-N -1 3 367.306 3.170 20 0 FGADHM CC(C)(C)CCC(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000735602314 599545783 /nfs/dbraw/zinc/54/57/83/599545783.db2.gz DATGAQUJEMUJCH-UHFFFAOYSA-N -1 3 357.458 3.063 20 0 FGADHM CC(C)(C)CCC(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000735602314 599545785 /nfs/dbraw/zinc/54/57/85/599545785.db2.gz DATGAQUJEMUJCH-UHFFFAOYSA-N -1 3 357.458 3.063 20 0 FGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@H]2CCC[C@H]21 ZINC000819975986 599552310 /nfs/dbraw/zinc/55/23/10/599552310.db2.gz GXWGWIVKRLYXNM-TZMCWYRMSA-N -1 3 357.462 3.220 20 0 FGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@H]2CCC[C@H]21 ZINC000819975986 599552312 /nfs/dbraw/zinc/55/23/12/599552312.db2.gz GXWGWIVKRLYXNM-TZMCWYRMSA-N -1 3 357.462 3.220 20 0 FGADHM CC[C@@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1F ZINC000736366100 599601152 /nfs/dbraw/zinc/60/11/52/599601152.db2.gz YGNFMBLJMMYUKJ-MRXNPFEDSA-N -1 3 372.379 3.095 20 0 FGADHM CC[C@@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1F ZINC000736366100 599601154 /nfs/dbraw/zinc/60/11/54/599601154.db2.gz YGNFMBLJMMYUKJ-MRXNPFEDSA-N -1 3 372.379 3.095 20 0 FGADHM CC(C)c1nn(C)c2sc(C(=O)Oc3ccc(-c4nnn[n-]4)cc3)cc12 ZINC000820206534 599620358 /nfs/dbraw/zinc/62/03/58/599620358.db2.gz PAWHFSKJDLXDOU-UHFFFAOYSA-N -1 3 368.422 3.158 20 0 FGADHM CC(C)c1nn(C)c2sc(C(=O)Oc3ccc(-c4nn[n-]n4)cc3)cc12 ZINC000820206534 599620359 /nfs/dbraw/zinc/62/03/59/599620359.db2.gz PAWHFSKJDLXDOU-UHFFFAOYSA-N -1 3 368.422 3.158 20 0 FGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1)[C@H]1C[C@]12CCCc1ccccc12 ZINC000823430890 599623664 /nfs/dbraw/zinc/62/36/64/599623664.db2.gz LDTDGUGCOMJTQZ-NQIIRXRSSA-N -1 3 360.417 3.204 20 0 FGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1)[C@H]1C[C@]12CCCc1ccccc12 ZINC000823430890 599623665 /nfs/dbraw/zinc/62/36/65/599623665.db2.gz LDTDGUGCOMJTQZ-NQIIRXRSSA-N -1 3 360.417 3.204 20 0 FGADHM CC[C@H](Cc1ccccc1)OC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000820913208 599625633 /nfs/dbraw/zinc/62/56/33/599625633.db2.gz DLJLLZPVAPFZKN-GOSISDBHSA-N -1 3 350.422 3.364 20 0 FGADHM CC[C@H](Cc1ccccc1)OC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000820913208 599625634 /nfs/dbraw/zinc/62/56/34/599625634.db2.gz DLJLLZPVAPFZKN-GOSISDBHSA-N -1 3 350.422 3.364 20 0 FGADHM CC[C@@H](Cc1ccc(C)cc1)OC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000820913648 599625897 /nfs/dbraw/zinc/62/58/97/599625897.db2.gz IMTSPSOSCLNWMA-INIZCTEOSA-N -1 3 366.421 3.118 20 0 FGADHM CC[C@@H](Cc1ccc(C)cc1)OC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000820913648 599625898 /nfs/dbraw/zinc/62/58/98/599625898.db2.gz IMTSPSOSCLNWMA-INIZCTEOSA-N -1 3 366.421 3.118 20 0 FGADHM C[C@@H]1CCc2ccccc2N1Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000820733707 599635406 /nfs/dbraw/zinc/63/54/06/599635406.db2.gz IQXUHTCEIUZPBN-CYBMUJFWSA-N -1 3 373.420 3.258 20 0 FGADHM C[C@@H]1CCc2ccccc2N1Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000820733707 599635407 /nfs/dbraw/zinc/63/54/07/599635407.db2.gz IQXUHTCEIUZPBN-CYBMUJFWSA-N -1 3 373.420 3.258 20 0 FGADHM CCN(Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)c1ccccc1F ZINC000821230082 599636869 /nfs/dbraw/zinc/63/68/69/599636869.db2.gz BALCXMVTMAYCIV-UHFFFAOYSA-N -1 3 365.372 3.082 20 0 FGADHM CCN(Cc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)c1ccccc1F ZINC000821230082 599636870 /nfs/dbraw/zinc/63/68/70/599636870.db2.gz BALCXMVTMAYCIV-UHFFFAOYSA-N -1 3 365.372 3.082 20 0 FGADHM C[C@@H](CCc1ccccc1F)C(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000820252596 599669760 /nfs/dbraw/zinc/66/97/60/599669760.db2.gz CGYPBZMNWGHFFR-LBPRGKRZSA-N -1 3 372.375 3.457 20 0 FGADHM C[C@@H](CCc1ccccc1F)C(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000820252596 599669761 /nfs/dbraw/zinc/66/97/61/599669761.db2.gz CGYPBZMNWGHFFR-LBPRGKRZSA-N -1 3 372.375 3.457 20 0 FGADHM CC(C)[C@@H]1CCCC[C@H]1NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820359752 599674078 /nfs/dbraw/zinc/67/40/78/599674078.db2.gz VFGVTWDSKQCJKS-RRQGHBQHSA-N -1 3 356.474 3.442 20 0 FGADHM CC(C)[C@@H]1CCCC[C@H]1NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820359752 599674079 /nfs/dbraw/zinc/67/40/79/599674079.db2.gz VFGVTWDSKQCJKS-RRQGHBQHSA-N -1 3 356.474 3.442 20 0 FGADHM CC(C)CO[C@H](C)c1noc(CSCc2cccc(-c3nnn[n-]3)c2)n1 ZINC000820096928 599691314 /nfs/dbraw/zinc/69/13/14/599691314.db2.gz INWKXLVQPNPOJD-GFCCVEGCSA-N -1 3 374.470 3.417 20 0 FGADHM CC(C)CO[C@H](C)c1noc(CSCc2cccc(-c3nn[n-]n3)c2)n1 ZINC000820096928 599691315 /nfs/dbraw/zinc/69/13/15/599691315.db2.gz INWKXLVQPNPOJD-GFCCVEGCSA-N -1 3 374.470 3.417 20 0 FGADHM Fc1ccccc1-c1cnc(CNc2ccc(F)c(-c3nnn[n-]3)c2)o1 ZINC000822782729 599691784 /nfs/dbraw/zinc/69/17/84/599691784.db2.gz DJUJFGLUVZVMSS-UHFFFAOYSA-N -1 3 354.320 3.412 20 0 FGADHM Fc1ccccc1-c1cnc(CNc2ccc(F)c(-c3nn[n-]n3)c2)o1 ZINC000822782729 599691785 /nfs/dbraw/zinc/69/17/85/599691785.db2.gz DJUJFGLUVZVMSS-UHFFFAOYSA-N -1 3 354.320 3.412 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CC[C@@H](CC(C)C)C1 ZINC000821407960 599692779 /nfs/dbraw/zinc/69/27/79/599692779.db2.gz YZMTUUFBMWXAJQ-ZDUSSCGKSA-N -1 3 358.446 3.165 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CC[C@@H](CC(C)C)C1 ZINC000821407960 599692780 /nfs/dbraw/zinc/69/27/80/599692780.db2.gz YZMTUUFBMWXAJQ-ZDUSSCGKSA-N -1 3 358.446 3.165 20 0 FGADHM Cc1cncc(C=CC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)c1 ZINC000822400198 607392591 /nfs/dbraw/zinc/39/25/91/607392591.db2.gz ZCWXIHCDRDMVNY-VOTSOKGWSA-N -1 3 366.450 3.162 20 0 FGADHM Cc1cncc(C=CC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)c1 ZINC000822400198 607392593 /nfs/dbraw/zinc/39/25/93/607392593.db2.gz ZCWXIHCDRDMVNY-VOTSOKGWSA-N -1 3 366.450 3.162 20 0 FGADHM Cc1ccc(NC(=O)NC[C@@H]2CCCN(Cc3ccoc3C(=O)[O-])C2)cc1 ZINC000738625020 599772364 /nfs/dbraw/zinc/77/23/64/599772364.db2.gz OCZYXJAXJMDCSZ-HNNXBMFYSA-N -1 3 371.437 3.320 20 0 FGADHM CC(C)Oc1ccc(NC(=O)c2csc(C(C)C)n2)cc1-c1nnn[n-]1 ZINC000820174180 607398945 /nfs/dbraw/zinc/39/89/45/607398945.db2.gz ORWJTWHGKZSRLF-UHFFFAOYSA-N -1 3 372.454 3.486 20 0 FGADHM CC(C)Oc1ccc(NC(=O)c2csc(C(C)C)n2)cc1-c1nn[n-]n1 ZINC000820174180 607398946 /nfs/dbraw/zinc/39/89/46/607398946.db2.gz ORWJTWHGKZSRLF-UHFFFAOYSA-N -1 3 372.454 3.486 20 0 FGADHM O=C([O-])CCc1ccc(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000312484615 599828156 /nfs/dbraw/zinc/82/81/56/599828156.db2.gz OIOMKTKXVTZQER-LJQANCHMSA-N -1 3 367.449 3.100 20 0 FGADHM CCOc1ccccc1C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000821430861 607400541 /nfs/dbraw/zinc/40/05/41/607400541.db2.gz GQTBBAPAOYVABC-UHFFFAOYSA-N -1 3 367.409 3.305 20 0 FGADHM CCOc1ccccc1C(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000821430861 607400543 /nfs/dbraw/zinc/40/05/43/607400543.db2.gz GQTBBAPAOYVABC-UHFFFAOYSA-N -1 3 367.409 3.305 20 0 FGADHM CCO[C@@H]1C[C@H](OC(=O)c2ccc(-c3nnn[n-]3)cc2C)C12CCCC2 ZINC000825583718 607400747 /nfs/dbraw/zinc/40/07/47/607400747.db2.gz WLENUZREZBNYBG-CVEARBPZSA-N -1 3 356.426 3.070 20 0 FGADHM CCO[C@@H]1C[C@H](OC(=O)c2ccc(-c3nn[n-]n3)cc2C)C12CCCC2 ZINC000825583718 607400748 /nfs/dbraw/zinc/40/07/48/607400748.db2.gz WLENUZREZBNYBG-CVEARBPZSA-N -1 3 356.426 3.070 20 0 FGADHM C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CCC2(CCCCC2)CC1 ZINC000652408498 599852842 /nfs/dbraw/zinc/85/28/42/599852842.db2.gz WWVZBCQSFRJNAI-MRXNPFEDSA-N -1 3 358.482 3.436 20 0 FGADHM C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CCC2(CCCCC2)CC1 ZINC000652408497 599852929 /nfs/dbraw/zinc/85/29/29/599852929.db2.gz WWVZBCQSFRJNAI-INIZCTEOSA-N -1 3 358.482 3.436 20 0 FGADHM CC(C)Oc1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1-c1nnn[n-]1 ZINC000820164158 607402123 /nfs/dbraw/zinc/40/21/23/607402123.db2.gz FXMUAIRMSVKGFW-UHFFFAOYSA-N -1 3 371.828 3.489 20 0 FGADHM CC(C)Oc1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1-c1nn[n-]n1 ZINC000820164158 607402125 /nfs/dbraw/zinc/40/21/25/607402125.db2.gz FXMUAIRMSVKGFW-UHFFFAOYSA-N -1 3 371.828 3.489 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)[C@H]1C[C@H]1c1c(F)cccc1F ZINC000826253214 607402821 /nfs/dbraw/zinc/40/28/21/607402821.db2.gz IJXYJNNLBBGPRB-KGLIPLIRSA-N -1 3 370.359 3.300 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)[C@H]1C[C@H]1c1c(F)cccc1F ZINC000826253214 607402822 /nfs/dbraw/zinc/40/28/22/607402822.db2.gz IJXYJNNLBBGPRB-KGLIPLIRSA-N -1 3 370.359 3.300 20 0 FGADHM O=C(NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1ccc2c(c1)CCCC2 ZINC000826428020 607415644 /nfs/dbraw/zinc/41/56/44/607415644.db2.gz LPANBBWOQNMKQW-UHFFFAOYSA-N -1 3 359.433 3.165 20 0 FGADHM O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1ccc2c(c1)CCCC2 ZINC000826428020 607415646 /nfs/dbraw/zinc/41/56/46/607415646.db2.gz LPANBBWOQNMKQW-UHFFFAOYSA-N -1 3 359.433 3.165 20 0 FGADHM O=C(C[C@H]1CCc2ccccc2C1)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826404775 607416491 /nfs/dbraw/zinc/41/64/91/607416491.db2.gz LDAHIRRCFCKXBH-HNNXBMFYSA-N -1 3 373.460 3.167 20 0 FGADHM O=C(C[C@H]1CCc2ccccc2C1)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826404775 607416492 /nfs/dbraw/zinc/41/64/92/607416492.db2.gz LDAHIRRCFCKXBH-HNNXBMFYSA-N -1 3 373.460 3.167 20 0 FGADHM CC(=O)N1CCCCC[C@H]1C1CCN(Cc2cc(C(=O)[O-])oc2C)CC1 ZINC000736134574 600077202 /nfs/dbraw/zinc/07/72/02/600077202.db2.gz IKAYAHTXQFDCHJ-SFHVURJKSA-N -1 3 362.470 3.289 20 0 FGADHM Cc1ccc(CCC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)c(C)c1 ZINC000826287089 607422595 /nfs/dbraw/zinc/42/25/95/607422595.db2.gz CBNQQZZODFVECZ-UHFFFAOYSA-N -1 3 361.449 3.222 20 0 FGADHM Cc1ccc(CCC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)c(C)c1 ZINC000826287089 607422596 /nfs/dbraw/zinc/42/25/96/607422596.db2.gz CBNQQZZODFVECZ-UHFFFAOYSA-N -1 3 361.449 3.222 20 0 FGADHM CC(C)Oc1ccc(NC(=O)NCCCC(F)(F)F)cc1-c1nnn[n-]1 ZINC000820169242 607426031 /nfs/dbraw/zinc/42/60/31/607426031.db2.gz JFRRDXGUSVKJSG-UHFFFAOYSA-N -1 3 372.351 3.118 20 0 FGADHM CC(C)Oc1ccc(NC(=O)NCCCC(F)(F)F)cc1-c1nn[n-]n1 ZINC000820169242 607426034 /nfs/dbraw/zinc/42/60/34/607426034.db2.gz JFRRDXGUSVKJSG-UHFFFAOYSA-N -1 3 372.351 3.118 20 0 FGADHM CC[C@H]1CCCCN1C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000820981789 607426613 /nfs/dbraw/zinc/42/66/13/607426613.db2.gz XBFNBEBBHGIBTC-AWEZNQCLSA-N -1 3 358.446 3.450 20 0 FGADHM CC[C@H]1CCCCN1C(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000820981789 607426615 /nfs/dbraw/zinc/42/66/15/607426615.db2.gz XBFNBEBBHGIBTC-AWEZNQCLSA-N -1 3 358.446 3.450 20 0 FGADHM CCC1CCN(C(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)CC1 ZINC000820987748 607428580 /nfs/dbraw/zinc/42/85/80/607428580.db2.gz BEQQTEIVVMVOFR-UHFFFAOYSA-N -1 3 358.446 3.308 20 0 FGADHM CCC1CCN(C(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)CC1 ZINC000820987748 607428582 /nfs/dbraw/zinc/42/85/82/607428582.db2.gz BEQQTEIVVMVOFR-UHFFFAOYSA-N -1 3 358.446 3.308 20 0 FGADHM CC(C)Oc1ccc(NC(=O)NCC(C2CC2)C2CC2)cc1-c1nnn[n-]1 ZINC000820170405 607431441 /nfs/dbraw/zinc/43/14/41/607431441.db2.gz ZZTSUGYQUMQQJH-UHFFFAOYSA-N -1 3 370.457 3.212 20 0 FGADHM CC(C)Oc1ccc(NC(=O)NCC(C2CC2)C2CC2)cc1-c1nn[n-]n1 ZINC000820170405 607431443 /nfs/dbraw/zinc/43/14/43/607431443.db2.gz ZZTSUGYQUMQQJH-UHFFFAOYSA-N -1 3 370.457 3.212 20 0 FGADHM CC(C)Oc1ccc(NC(=O)N2CCC[C@H]3CCC[C@@H]32)cc1-c1nnn[n-]1 ZINC000820164052 607432378 /nfs/dbraw/zinc/43/23/78/607432378.db2.gz BKXPYMRZCGNYBH-CJNGLKHVSA-N -1 3 370.457 3.450 20 0 FGADHM CC(C)Oc1ccc(NC(=O)N2CCC[C@H]3CCC[C@@H]32)cc1-c1nn[n-]n1 ZINC000820164052 607432380 /nfs/dbraw/zinc/43/23/80/607432380.db2.gz BKXPYMRZCGNYBH-CJNGLKHVSA-N -1 3 370.457 3.450 20 0 FGADHM CC[C@](NC(=O)c1cccc(CN2CCCC2)c1)(C(=O)[O-])c1ccccc1 ZINC000736919729 600259472 /nfs/dbraw/zinc/25/94/72/600259472.db2.gz IWCJVNVXTMCCKY-JOCHJYFZSA-N -1 3 366.461 3.402 20 0 FGADHM Cc1ccc(CCC(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)cc1Cl ZINC000826287579 607434293 /nfs/dbraw/zinc/43/42/93/607434293.db2.gz UQJCGUCRBUTIGK-UHFFFAOYSA-N -1 3 355.829 3.424 20 0 FGADHM Cc1ccc(CCC(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC000826287579 607434294 /nfs/dbraw/zinc/43/42/94/607434294.db2.gz UQJCGUCRBUTIGK-UHFFFAOYSA-N -1 3 355.829 3.424 20 0 FGADHM C[C@H](CCc1cccc(F)c1)C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000824406143 607436097 /nfs/dbraw/zinc/43/60/97/607436097.db2.gz DNVASYLOZHJLOM-CYBMUJFWSA-N -1 3 353.401 3.238 20 0 FGADHM C[C@H](CCc1cccc(F)c1)C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000824406143 607436098 /nfs/dbraw/zinc/43/60/98/607436098.db2.gz DNVASYLOZHJLOM-CYBMUJFWSA-N -1 3 353.401 3.238 20 0 FGADHM CN(C(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825812077 607436916 /nfs/dbraw/zinc/43/69/16/607436916.db2.gz HJPHLZUGWVCPQD-HZPDHXFCSA-N -1 3 353.813 3.287 20 0 FGADHM CN(C(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825812077 607436917 /nfs/dbraw/zinc/43/69/17/607436917.db2.gz HJPHLZUGWVCPQD-HZPDHXFCSA-N -1 3 353.813 3.287 20 0 FGADHM Cc1ccc([C@@H](CNC(=O)Nc2ccc(F)c(C(=O)[O-])c2)N(C)C)cc1 ZINC000738561093 600391391 /nfs/dbraw/zinc/39/13/91/600391391.db2.gz PSYMXPSSHLUTSD-QGZVFWFLSA-N -1 3 359.401 3.257 20 0 FGADHM CC(C)N(C)C(=O)C1CCN([C@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC000736455548 600399118 /nfs/dbraw/zinc/39/91/18/600399118.db2.gz UQLGSIVKXBDMFI-INIZCTEOSA-N -1 3 352.862 3.045 20 0 FGADHM O=C([O-])[C@@H](NCc1ccccc1CN1CCCC1=O)c1cccc(Cl)c1 ZINC000739503942 600421603 /nfs/dbraw/zinc/42/16/03/600421603.db2.gz DXPDBXGHEOJIDE-IBGZPJMESA-N -1 3 372.852 3.378 20 0 FGADHM Cc1ccccc1[C@H](C)NC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826305685 607447352 /nfs/dbraw/zinc/44/73/52/607447352.db2.gz FTLXJVAFVYUUPY-AWEZNQCLSA-N -1 3 362.437 3.225 20 0 FGADHM Cc1ccccc1[C@H](C)NC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826305685 607447354 /nfs/dbraw/zinc/44/73/54/607447354.db2.gz FTLXJVAFVYUUPY-AWEZNQCLSA-N -1 3 362.437 3.225 20 0 FGADHM CC[C@H]1CCCC[C@@H]1NC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000825195050 607453897 /nfs/dbraw/zinc/45/38/97/607453897.db2.gz UZISSNFLOQLKPS-BBRMVZONSA-N -1 3 354.458 3.124 20 0 FGADHM CC[C@H]1CCCC[C@@H]1NC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000825195050 607453899 /nfs/dbraw/zinc/45/38/99/607453899.db2.gz UZISSNFLOQLKPS-BBRMVZONSA-N -1 3 354.458 3.124 20 0 FGADHM Cc1ccc([C@@H](C)NC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)s1 ZINC000826282952 607453959 /nfs/dbraw/zinc/45/39/59/607453959.db2.gz GZMYWYXVBRYYQQ-GFCCVEGCSA-N -1 3 368.466 3.286 20 0 FGADHM Cc1ccc([C@@H](C)NC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)s1 ZINC000826282952 607453961 /nfs/dbraw/zinc/45/39/61/607453961.db2.gz GZMYWYXVBRYYQQ-GFCCVEGCSA-N -1 3 368.466 3.286 20 0 FGADHM CC(C)[C@H]1CCCC[C@@H]1NC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000824215906 607454801 /nfs/dbraw/zinc/45/48/01/607454801.db2.gz NSOQTTBTTOASCX-SJORKVTESA-N -1 3 368.485 3.370 20 0 FGADHM CC(C)[C@H]1CCCC[C@@H]1NC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000824215906 607454803 /nfs/dbraw/zinc/45/48/03/607454803.db2.gz NSOQTTBTTOASCX-SJORKVTESA-N -1 3 368.485 3.370 20 0 FGADHM CC(C)[C@H]1CCC[C@@H](NC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)C1 ZINC000824216233 607455332 /nfs/dbraw/zinc/45/53/32/607455332.db2.gz PHPLYPAZLKRPCZ-WMLDXEAASA-N -1 3 368.485 3.370 20 0 FGADHM CC(C)[C@H]1CCC[C@@H](NC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)C1 ZINC000824216233 607455334 /nfs/dbraw/zinc/45/53/34/607455334.db2.gz PHPLYPAZLKRPCZ-WMLDXEAASA-N -1 3 368.485 3.370 20 0 FGADHM Cc1cc(CN[C@H](C)c2ccc(NC(N)=O)cc2)cc(C)c1OCC(=O)[O-] ZINC000738387094 600652560 /nfs/dbraw/zinc/65/25/60/600652560.db2.gz CHDSTLVMJNLDRU-CQSZACIVSA-N -1 3 371.437 3.108 20 0 FGADHM C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000382596910 600966575 /nfs/dbraw/zinc/96/65/75/600966575.db2.gz NHXOKJVJFDDLOL-NZSAHSFTSA-N -1 3 358.482 3.000 20 0 FGADHM C[C@@H]1CCN(C(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)CCN1Cc1ccccc1 ZINC000382555036 600977654 /nfs/dbraw/zinc/97/76/54/600977654.db2.gz HXGVNIBYMQHTPU-NEWSRXKRSA-N -1 3 358.482 3.000 20 0 FGADHM CC(C)CN(CCC(=O)[O-])CC(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000826875635 600991777 /nfs/dbraw/zinc/99/17/77/600991777.db2.gz GAJKMLQOYKSHNR-UHFFFAOYSA-N -1 3 361.486 3.048 20 0 FGADHM Cc1[nH]c(C(=O)N2CCN(Cc3ccccc3)CC[C@@H]2C)c(C)c1C(=O)[O-] ZINC000832844214 601109098 /nfs/dbraw/zinc/10/90/98/601109098.db2.gz YEKWUJGYXJTBFF-AWEZNQCLSA-N -1 3 369.465 3.066 20 0 FGADHM Cn1cc(C[C@@H]2CCN([C@@H](C(=O)[O-])c3ccc(Cl)cc3Cl)C2)cn1 ZINC000833043761 601118603 /nfs/dbraw/zinc/11/86/03/601118603.db2.gz HGGNIYCJTPFGTD-MEDUHNTESA-N -1 3 368.264 3.417 20 0 FGADHM Cc1ccc(NC(=O)N(CCc2ccccc2)CCN(C)C)cc1C(=O)[O-] ZINC000832944396 601142479 /nfs/dbraw/zinc/14/24/79/601142479.db2.gz DDTLTAOFTYCKDN-UHFFFAOYSA-N -1 3 369.465 3.331 20 0 FGADHM CCc1nc(NC(=O)CN[C@H](c2ccccc2)[C@H](C)C(=O)[O-])sc1C ZINC000830318326 601201866 /nfs/dbraw/zinc/20/18/66/601201866.db2.gz NLDKVHFWOHGPHH-ZBEGNZNMSA-N -1 3 361.467 3.004 20 0 FGADHM COc1ccc2c(CN[C@H](c3ccccc3)[C@H](C)C(=O)[O-])cc(=O)oc2c1 ZINC000832487057 601202119 /nfs/dbraw/zinc/20/21/19/601202119.db2.gz NYYNVDPOXOAZQA-RBZFPXEDSA-N -1 3 367.401 3.353 20 0 FGADHM C[C@H](C(=O)[O-])[C@H](NC(=O)c1cccc(CN2CCCC2)c1)c1ccccc1 ZINC000826045642 601394015 /nfs/dbraw/zinc/39/40/15/601394015.db2.gz WESDGPQKJSNVAU-JXFKEZNVSA-N -1 3 366.461 3.474 20 0 FGADHM O=C([O-])CN(Cc1ccc(Cl)cc1)Cc1ccc(-n2ccnc2)nc1 ZINC000833249506 601413912 /nfs/dbraw/zinc/41/39/12/601413912.db2.gz UAXVLTADFXSURO-UHFFFAOYSA-N -1 3 356.813 3.008 20 0 FGADHM O=C([O-])c1ccc(CN2CCC[C@H](CNC(=O)c3ccccc3)C2)cc1F ZINC000833137555 601649407 /nfs/dbraw/zinc/64/94/07/601649407.db2.gz BZSDFSWYQSPKNE-MRXNPFEDSA-N -1 3 370.424 3.166 20 0 FGADHM C[C@@H](C(=O)[O-])[C@H](NCC(=O)NCc1cccc(Cl)c1)c1ccccc1 ZINC000826055183 601656760 /nfs/dbraw/zinc/65/67/60/601656760.db2.gz WPSOPFJSOXQOSH-ACJLOTCBSA-N -1 3 360.841 3.008 20 0 FGADHM C[C@@H](C(=O)[O-])[C@H](NCC(=O)N[C@@H](C)c1ccc(F)cc1)c1ccccc1 ZINC000827637716 601656788 /nfs/dbraw/zinc/65/67/88/601656788.db2.gz VYJYMDKCAJKLPX-TYILLQQXSA-N -1 3 358.413 3.055 20 0 FGADHM CN1CCC(N(Cc2ccccc2)C(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)CC1 ZINC000830923872 601674386 /nfs/dbraw/zinc/67/43/86/601674386.db2.gz VCCXTZVTKVDNHQ-ZWKOTPCHSA-N -1 3 358.482 3.000 20 0 FGADHM CCN(Cc1cc(-c2nn[n-]n2)ccc1OC)Cc1c(F)cccc1F ZINC000825428381 607524364 /nfs/dbraw/zinc/52/43/64/607524364.db2.gz LEEDADVORUFROF-UHFFFAOYSA-N -1 3 359.380 3.176 20 0 FGADHM CN(C[C@@H]1CCCN1Cc1ccsc1C(=O)[O-])C(=O)OC(C)(C)C ZINC000830717982 601837222 /nfs/dbraw/zinc/83/72/22/601837222.db2.gz JBYDYJCOIFRBOL-ZDUSSCGKSA-N -1 3 354.472 3.278 20 0 FGADHM C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)CN1CCC(CCC(=O)[O-])CC1 ZINC000662218468 601844236 /nfs/dbraw/zinc/84/42/36/601844236.db2.gz OGDVYMKJKBVRIC-AWEZNQCLSA-N -1 3 366.889 3.436 20 0 FGADHM COc1ccc(CNC(=S)Nc2ccccc2Cl)cc1-c1nnn[n-]1 ZINC000826201879 607529593 /nfs/dbraw/zinc/52/95/93/607529593.db2.gz HEOSSLHMUNFMEL-UHFFFAOYSA-N -1 3 374.857 3.015 20 0 FGADHM COc1ccc(CNC(=S)Nc2ccccc2Cl)cc1-c1nn[n-]n1 ZINC000826201879 607529595 /nfs/dbraw/zinc/52/95/95/607529595.db2.gz HEOSSLHMUNFMEL-UHFFFAOYSA-N -1 3 374.857 3.015 20 0 FGADHM CCc1ccc([C@H](CNC(=O)NCc2cccc(C(=O)[O-])c2)N(C)C)cc1 ZINC000666513661 601848474 /nfs/dbraw/zinc/84/84/74/601848474.db2.gz NSOGUOACMFOLAV-IBGZPJMESA-N -1 3 369.465 3.049 20 0 FGADHM Cc1ccc(CN[C@H](C(=O)[O-])c2ccccc2)c(OC[C@H]2CCCO2)c1 ZINC000832933681 601850720 /nfs/dbraw/zinc/85/07/20/601850720.db2.gz HWJOPOZWXFRVGJ-QUCCMNQESA-N -1 3 355.434 3.468 20 0 FGADHM Cc1ccc(CN[C@@H](C(=O)[O-])c2ccccc2)c(OC[C@@H]2CCCO2)c1 ZINC000832933678 601850943 /nfs/dbraw/zinc/85/09/43/601850943.db2.gz HWJOPOZWXFRVGJ-AZUAARDMSA-N -1 3 355.434 3.468 20 0 FGADHM CN(CCOc1cccc(F)c1)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830795103 601905014 /nfs/dbraw/zinc/90/50/14/601905014.db2.gz IAQIZWFLLXSEHR-INIZCTEOSA-N -1 3 357.303 3.380 20 0 FGADHM C[C@]1(C(=O)[O-])CCN(Cc2ncc(-c3cccc(Br)c3)o2)C1 ZINC000263182410 601915939 /nfs/dbraw/zinc/91/59/39/601915939.db2.gz RNFMDXLZUGKFME-INIZCTEOSA-N -1 3 365.227 3.401 20 0 FGADHM C[C@@H]1C[C@@H](NC(=O)Nc2cc(C(=O)[O-])ccc2F)CN1Cc1ccccc1 ZINC000398231301 601930695 /nfs/dbraw/zinc/93/06/95/601930695.db2.gz ZVZWKDWSKRVLMV-CZUORRHYSA-N -1 3 371.412 3.308 20 0 FGADHM Cc1c(C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cnn1CCC(C)C ZINC000826234955 607541037 /nfs/dbraw/zinc/54/10/37/607541037.db2.gz WHIUVDKJTWYSBR-CQSZACIVSA-N -1 3 368.441 3.336 20 0 FGADHM Cc1c(C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cnn1CCC(C)C ZINC000826234955 607541039 /nfs/dbraw/zinc/54/10/39/607541039.db2.gz WHIUVDKJTWYSBR-CQSZACIVSA-N -1 3 368.441 3.336 20 0 FGADHM COc1ccccc1[C@@H](CNCc1cnc2ccccc2c1)NC(=O)[O-] ZINC000739963507 602050945 /nfs/dbraw/zinc/05/09/45/602050945.db2.gz NLEYHIGDFNJWMJ-GOSISDBHSA-N -1 3 351.406 3.342 20 0 FGADHM Fc1ccc(-c2nnn[n-]2)cc1CNc1ccc2c(cnn2C(F)F)c1 ZINC000826373571 607553569 /nfs/dbraw/zinc/55/35/69/607553569.db2.gz QSDGBCHRXXBKPU-UHFFFAOYSA-N -1 3 359.315 3.363 20 0 FGADHM Fc1ccc(-c2nn[n-]n2)cc1CNc1ccc2c(cnn2C(F)F)c1 ZINC000826373571 607553571 /nfs/dbraw/zinc/55/35/71/607553571.db2.gz QSDGBCHRXXBKPU-UHFFFAOYSA-N -1 3 359.315 3.363 20 0 FGADHM COc1cc(OC)c(OC)cc1CN(C/C=C(/C)C(=O)[O-])C(C)(C)C ZINC000832033805 602325199 /nfs/dbraw/zinc/32/51/99/602325199.db2.gz GQWXPODUURJUAQ-JYRVWZFOSA-N -1 3 351.443 3.344 20 0 FGADHM CC(C)N(Cc1ccccc1)C(=O)CN(C1CC1)C1CCN(C(=O)[O-])CC1 ZINC000738851933 602379178 /nfs/dbraw/zinc/37/91/78/602379178.db2.gz AITYIDUSKDIMAK-UHFFFAOYSA-N -1 3 373.497 3.030 20 0 FGADHM O=C([O-])c1ccc(NC(=O)NC[C@@H](c2ccccc2)N2CCCC2)cc1F ZINC000833132559 602381922 /nfs/dbraw/zinc/38/19/22/602381922.db2.gz CWMVJIQLDBGTKN-SFHVURJKSA-N -1 3 371.412 3.483 20 0 FGADHM Cc1cc(C)c(-c2nnn[n-]2)c(NC[C@@H](c2ccccc2)C(C)(C)CO)n1 ZINC000826262510 607564876 /nfs/dbraw/zinc/56/48/76/607564876.db2.gz QXSXDJUWTDJKMU-INIZCTEOSA-N -1 3 366.469 3.093 20 0 FGADHM Cc1cc(C)c(-c2nn[n-]n2)c(NC[C@@H](c2ccccc2)C(C)(C)CO)n1 ZINC000826262510 607564878 /nfs/dbraw/zinc/56/48/78/607564878.db2.gz QXSXDJUWTDJKMU-INIZCTEOSA-N -1 3 366.469 3.093 20 0 FGADHM CN(C)[C@@H]1Cc2ccccc2N(C(=O)c2ccc(F)c(NC(=O)[O-])c2)C1 ZINC000739602487 602695865 /nfs/dbraw/zinc/69/58/65/602695865.db2.gz BPOVXODKPDYVJN-CQSZACIVSA-N -1 3 357.385 3.049 20 0 FGADHM CC[C@@H](SC)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000825158965 607578082 /nfs/dbraw/zinc/57/80/82/607578082.db2.gz FUBDZPYDQPWKBA-CQSZACIVSA-N -1 3 370.438 3.134 20 0 FGADHM COc1ccc(CNC(=O)C[C@H](C)C2CCCCC2)cc1-c1nnn[n-]1 ZINC000826196617 607585572 /nfs/dbraw/zinc/58/55/72/607585572.db2.gz IKQPJIRYGHJFOB-ZDUSSCGKSA-N -1 3 357.458 3.098 20 0 FGADHM COc1ccc(CNC(=O)C[C@H](C)C2CCCCC2)cc1-c1nn[n-]n1 ZINC000826196617 607585573 /nfs/dbraw/zinc/58/55/73/607585573.db2.gz IKQPJIRYGHJFOB-ZDUSSCGKSA-N -1 3 357.458 3.098 20 0 FGADHM CCC(=CC(=O)Nc1ccc(F)cc1-c1nnn[n-]1)c1ccc(OC)cc1 ZINC000825029794 607588521 /nfs/dbraw/zinc/58/85/21/607588521.db2.gz ZMGBFXJALHXASQ-ZRDIBKRKSA-N -1 3 367.384 3.447 20 0 FGADHM CCC(=CC(=O)Nc1ccc(F)cc1-c1nn[n-]n1)c1ccc(OC)cc1 ZINC000825029794 607588522 /nfs/dbraw/zinc/58/85/22/607588522.db2.gz ZMGBFXJALHXASQ-ZRDIBKRKSA-N -1 3 367.384 3.447 20 0 FGADHM Cc1ccc(C(=O)N2C[C@@H](N(C)C)Cc3ccccc32)cc1NC(=O)[O-] ZINC000830186496 602899261 /nfs/dbraw/zinc/89/92/61/602899261.db2.gz JCRWTHVWIDQAQB-INIZCTEOSA-N -1 3 353.422 3.218 20 0 FGADHM COc1ccc(COC(=O)Cc2ccc3ccccc3c2)cc1-c1nnn[n-]1 ZINC000826206006 607597170 /nfs/dbraw/zinc/59/71/70/607597170.db2.gz YCUYPRVTUIVTPP-UHFFFAOYSA-N -1 3 374.400 3.314 20 0 FGADHM COc1ccc(COC(=O)Cc2ccc3ccccc3c2)cc1-c1nn[n-]n1 ZINC000826206006 607597171 /nfs/dbraw/zinc/59/71/71/607597171.db2.gz YCUYPRVTUIVTPP-UHFFFAOYSA-N -1 3 374.400 3.314 20 0 FGADHM CN(C)Cc1c2ccccc2oc1C(=O)NCC1(NC(=O)[O-])CCCCC1 ZINC000739610228 603090955 /nfs/dbraw/zinc/09/09/55/603090955.db2.gz NXWRIHTVILUWOX-UHFFFAOYSA-N -1 3 373.453 3.195 20 0 FGADHM COc1ccc(COC(=O)[C@@H](C)OC2CCCCCC2)cc1-c1nnn[n-]1 ZINC000826204240 607613212 /nfs/dbraw/zinc/61/32/12/607613212.db2.gz CTIVLOOITOGCKH-CYBMUJFWSA-N -1 3 374.441 3.046 20 0 FGADHM COc1ccc(COC(=O)[C@@H](C)OC2CCCCCC2)cc1-c1nn[n-]n1 ZINC000826204240 607613213 /nfs/dbraw/zinc/61/32/13/607613213.db2.gz CTIVLOOITOGCKH-CYBMUJFWSA-N -1 3 374.441 3.046 20 0 FGADHM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)N[C@@H](CN(C)C)c2ccccc2)cc1 ZINC000825426921 603388190 /nfs/dbraw/zinc/38/81/90/603388190.db2.gz MCEZSRQPECFRBE-KDOFPFPSSA-N -1 3 370.453 3.440 20 0 FGADHM CC(C)(C)OC(=O)Nc1ccc(CNC[C@@H]2CCCCN2C(=O)[O-])cn1 ZINC000823827642 603543501 /nfs/dbraw/zinc/54/35/01/603543501.db2.gz CZOSHKGLLLIWLV-AWEZNQCLSA-N -1 3 364.446 3.051 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1CN(CC1CCC1)CC(F)(F)F ZINC000826181748 607638923 /nfs/dbraw/zinc/63/89/23/607638923.db2.gz MLJHXLJZPVZYIJ-UHFFFAOYSA-N -1 3 355.364 3.040 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1CN(CC1CCC1)CC(F)(F)F ZINC000826181748 607638924 /nfs/dbraw/zinc/63/89/24/607638924.db2.gz MLJHXLJZPVZYIJ-UHFFFAOYSA-N -1 3 355.364 3.040 20 0 FGADHM C[C@@H](NC(=S)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1ccccc1 ZINC000824523315 607647735 /nfs/dbraw/zinc/64/77/35/607647735.db2.gz ZMOKDWSHOXOWKL-CYBMUJFWSA-N -1 3 364.478 3.081 20 0 FGADHM C[C@@H](NC(=S)NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1ccccc1 ZINC000824523315 607647737 /nfs/dbraw/zinc/64/77/37/607647737.db2.gz ZMOKDWSHOXOWKL-CYBMUJFWSA-N -1 3 364.478 3.081 20 0 FGADHM CCCN(Cc1ccc(F)cc1)C(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000825322953 607659844 /nfs/dbraw/zinc/65/98/44/607659844.db2.gz MGTLLXLUZRILQN-UHFFFAOYSA-N -1 3 353.401 3.367 20 0 FGADHM CCCN(Cc1ccc(F)cc1)C(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000825322953 607659845 /nfs/dbraw/zinc/65/98/45/607659845.db2.gz MGTLLXLUZRILQN-UHFFFAOYSA-N -1 3 353.401 3.367 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NCc1c(Cl)cccc1Cl ZINC000826248914 607660678 /nfs/dbraw/zinc/66/06/78/607660678.db2.gz BXLUXMFPNDLVDW-UHFFFAOYSA-N -1 3 362.220 3.412 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NCc1c(Cl)cccc1Cl ZINC000826248914 607660680 /nfs/dbraw/zinc/66/06/80/607660680.db2.gz BXLUXMFPNDLVDW-UHFFFAOYSA-N -1 3 362.220 3.412 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1cccc(-c2ccnc(C)n2)c1 ZINC000826330114 607662263 /nfs/dbraw/zinc/66/22/63/607662263.db2.gz GAEAMSZZQWHSMS-UHFFFAOYSA-N -1 3 371.404 3.193 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1cccc(-c2ccnc(C)n2)c1 ZINC000826330114 607662265 /nfs/dbraw/zinc/66/22/65/607662265.db2.gz GAEAMSZZQWHSMS-UHFFFAOYSA-N -1 3 371.404 3.193 20 0 FGADHM Cc1ccc(C(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)cc1NC(=O)[O-] ZINC000830205820 603966988 /nfs/dbraw/zinc/96/69/88/603966988.db2.gz TXBRHXLMGBSSSP-MAUKXSAKSA-N -1 3 367.449 3.478 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@H](C)c1cccc(OC(F)F)c1 ZINC000826247187 607663555 /nfs/dbraw/zinc/66/35/55/607663555.db2.gz WBDLOHSSJUWZPD-LLVKDONJSA-N -1 3 373.363 3.268 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@H](C)c1cccc(OC(F)F)c1 ZINC000826247187 607663557 /nfs/dbraw/zinc/66/35/57/607663557.db2.gz WBDLOHSSJUWZPD-LLVKDONJSA-N -1 3 373.363 3.268 20 0 FGADHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1N1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000826368152 607682084 /nfs/dbraw/zinc/68/20/84/607682084.db2.gz DTFMSNGJKSOPEC-OLZOCXBDSA-N -1 3 367.375 3.138 20 0 FGADHM CC(C)Oc1ccc(NCc2nc(C3CCCC3)no2)cc1-c1nnn[n-]1 ZINC000824328946 607685569 /nfs/dbraw/zinc/68/55/69/607685569.db2.gz FCQQVGCPUMONOK-UHFFFAOYSA-N -1 3 369.429 3.307 20 0 FGADHM CC(C)Oc1ccc(NCc2nc(C3CCCC3)no2)cc1-c1nn[n-]n1 ZINC000824328946 607685571 /nfs/dbraw/zinc/68/55/71/607685571.db2.gz FCQQVGCPUMONOK-UHFFFAOYSA-N -1 3 369.429 3.307 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@H](C)c1nc2ccccc2s1 ZINC000826246388 607690884 /nfs/dbraw/zinc/69/08/84/607690884.db2.gz CLCASPMESNEFAK-LLVKDONJSA-N -1 3 364.434 3.276 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@H](C)c1nc2ccccc2s1 ZINC000826246388 607690885 /nfs/dbraw/zinc/69/08/85/607690885.db2.gz CLCASPMESNEFAK-LLVKDONJSA-N -1 3 364.434 3.276 20 0 FGADHM C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000824762478 607693371 /nfs/dbraw/zinc/69/33/71/607693371.db2.gz GJPCKMHULCTVRC-MRVPVSSYSA-N -1 3 365.224 3.335 20 0 FGADHM C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000824762478 607693372 /nfs/dbraw/zinc/69/33/72/607693372.db2.gz GJPCKMHULCTVRC-MRVPVSSYSA-N -1 3 365.224 3.335 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NCC(C)(C)c1cccc(F)c1 ZINC000826247492 607694195 /nfs/dbraw/zinc/69/41/95/607694195.db2.gz FJNJBFVIBUCMHP-UHFFFAOYSA-N -1 3 353.401 3.022 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NCC(C)(C)c1cccc(F)c1 ZINC000826247492 607694197 /nfs/dbraw/zinc/69/41/97/607694197.db2.gz FJNJBFVIBUCMHP-UHFFFAOYSA-N -1 3 353.401 3.022 20 0 FGADHM O=C(Nc1ccccc1COCc1ccccc1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826457795 607700774 /nfs/dbraw/zinc/70/07/74/607700774.db2.gz QGYWCPRDWPJWEY-UHFFFAOYSA-N -1 3 374.404 3.164 20 0 FGADHM O=C(Nc1ccccc1COCc1ccccc1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826457795 607700775 /nfs/dbraw/zinc/70/07/75/607700775.db2.gz QGYWCPRDWPJWEY-UHFFFAOYSA-N -1 3 374.404 3.164 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@H](C1CCCC1)C(F)(F)F ZINC000826246306 607701652 /nfs/dbraw/zinc/70/16/52/607701652.db2.gz AGUULZCAFRRRAY-CYBMUJFWSA-N -1 3 353.348 3.026 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@H](C1CCCC1)C(F)(F)F ZINC000826246306 607701654 /nfs/dbraw/zinc/70/16/54/607701654.db2.gz AGUULZCAFRRRAY-CYBMUJFWSA-N -1 3 353.348 3.026 20 0 FGADHM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1c(Cl)ccc(F)c1Cl ZINC000824516462 607702546 /nfs/dbraw/zinc/70/25/46/607702546.db2.gz XELOKSVLZBCGIL-ZCFIWIBFSA-N -1 3 369.187 3.132 20 0 FGADHM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1c(Cl)ccc(F)c1Cl ZINC000824516462 607702548 /nfs/dbraw/zinc/70/25/48/607702548.db2.gz XELOKSVLZBCGIL-ZCFIWIBFSA-N -1 3 369.187 3.132 20 0 FGADHM C[C@@H](CC(=O)N(C)c1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1F ZINC000824384451 607706478 /nfs/dbraw/zinc/70/64/78/607706478.db2.gz BSQSGFZHRRNHOY-NSHDSACASA-N -1 3 357.364 3.302 20 0 FGADHM C[C@@H](CC(=O)N(C)c1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1F ZINC000824384451 607706480 /nfs/dbraw/zinc/70/64/80/607706480.db2.gz BSQSGFZHRRNHOY-NSHDSACASA-N -1 3 357.364 3.302 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)CCc1ccc(F)cc1F ZINC000825621083 607706938 /nfs/dbraw/zinc/70/69/38/607706938.db2.gz NJHJJVCWVDUZQN-UHFFFAOYSA-N -1 3 373.363 3.115 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)CCc1ccc(F)cc1F ZINC000825621083 607706940 /nfs/dbraw/zinc/70/69/40/607706940.db2.gz NJHJJVCWVDUZQN-UHFFFAOYSA-N -1 3 373.363 3.115 20 0 FGADHM Fc1cccc(F)c1-c1nc(COc2ccccc2-c2nnn[n-]2)co1 ZINC000826377041 607708925 /nfs/dbraw/zinc/70/89/25/607708925.db2.gz BJPYTKSPCQNLBS-UHFFFAOYSA-N -1 3 355.304 3.379 20 0 FGADHM Fc1cccc(F)c1-c1nc(COc2ccccc2-c2nn[n-]n2)co1 ZINC000826377041 607708927 /nfs/dbraw/zinc/70/89/27/607708927.db2.gz BJPYTKSPCQNLBS-UHFFFAOYSA-N -1 3 355.304 3.379 20 0 FGADHM C[C@H](c1ccccc1)N1CC[C@H](NC(=O)CCc2ccccc2C(=O)[O-])C1 ZINC000833547919 604719683 /nfs/dbraw/zinc/71/96/83/604719683.db2.gz GTHVWDAASCJYBR-APWZRJJASA-N -1 3 366.461 3.269 20 0 FGADHM CCc1cccc(CC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)c1 ZINC000825722053 607712020 /nfs/dbraw/zinc/71/20/20/607712020.db2.gz DAYFJTYFUDGDQF-UHFFFAOYSA-N -1 3 363.465 3.409 20 0 FGADHM CCc1cccc(CC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)c1 ZINC000825722053 607712022 /nfs/dbraw/zinc/71/20/22/607712022.db2.gz DAYFJTYFUDGDQF-UHFFFAOYSA-N -1 3 363.465 3.409 20 0 FGADHM O=C([O-])CCCN(Cc1ccccc1)Cn1nccc1-c1ccncc1 ZINC000833226745 604765682 /nfs/dbraw/zinc/76/56/82/604765682.db2.gz CAMZANQBAHDVFW-UHFFFAOYSA-N -1 3 350.422 3.270 20 0 FGADHM CC(C)(C(=O)[O-])[C@H]1CCCN([C@H]2CCN(c3ccc(Cl)cc3)C2=O)C1 ZINC000833417277 604937349 /nfs/dbraw/zinc/93/73/49/604937349.db2.gz OKGVLWDXQRUSKT-BBRMVZONSA-N -1 3 364.873 3.268 20 0 FGADHM CC(=O)Nc1cccc([C@H](C)NCc2ccc(CCNC(=O)[O-])cc2)c1 ZINC000823616456 604941744 /nfs/dbraw/zinc/94/17/44/604941744.db2.gz DCTGWOLTNSPXPJ-AWEZNQCLSA-N -1 3 355.438 3.306 20 0 FGADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(CC(=O)N[C@@H](c2ccccc2)C2CC2)C1 ZINC000833421191 604947725 /nfs/dbraw/zinc/94/77/25/604947725.db2.gz JRLAQMCQTQJRQY-MJGOQNOKSA-N -1 3 358.482 3.077 20 0 FGADHM C[C@@H]1[C@@H](c2ccccc2)c2ccccc2CCN1Cn1cnc(C(=O)[O-])n1 ZINC000828149637 604974773 /nfs/dbraw/zinc/97/47/73/604974773.db2.gz LTHPMCOHRBDVKV-BEFAXECRSA-N -1 3 362.433 3.013 20 0 FGADHM CCc1nc(NC(=O)c2oc3ccccc3c2CN(C)C)sc1C(=O)[O-] ZINC000833675727 604996872 /nfs/dbraw/zinc/99/68/72/604996872.db2.gz QUTYKJCVIHOHEN-UHFFFAOYSA-N -1 3 373.434 3.464 20 0 FGADHM CCOCCC1(CNc2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)CC1 ZINC000825589203 607729413 /nfs/dbraw/zinc/72/94/13/607729413.db2.gz BLKBPUKVGCMAJN-UHFFFAOYSA-N -1 3 374.395 3.312 20 0 FGADHM CCOCCC1(CNc2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)CC1 ZINC000825589203 607729415 /nfs/dbraw/zinc/72/94/15/607729415.db2.gz BLKBPUKVGCMAJN-UHFFFAOYSA-N -1 3 374.395 3.312 20 0 FGADHM COC[C@@](C)(CC(=O)[O-])NCc1cc(C)nc(-c2ccc(Cl)cc2)n1 ZINC000833722287 605077417 /nfs/dbraw/zinc/07/74/17/605077417.db2.gz QCMSULXMHVYJQE-GOSISDBHSA-N -1 3 363.845 3.075 20 0 FGADHM C[C@@H](C[C@@H](O)c1cccs1)Nc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000824393509 607733222 /nfs/dbraw/zinc/73/32/22/607733222.db2.gz SIAJXKKYYGRYCB-XHDPSFHLSA-N -1 3 366.450 3.401 20 0 FGADHM C[C@@H](C[C@@H](O)c1cccs1)Nc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000824393509 607733224 /nfs/dbraw/zinc/73/32/24/607733224.db2.gz SIAJXKKYYGRYCB-XHDPSFHLSA-N -1 3 366.450 3.401 20 0 FGADHM CC(C)(COc1ncccc1C(F)(F)F)NCc1ccc(C(=O)[O-])o1 ZINC000833461950 605119358 /nfs/dbraw/zinc/11/93/58/605119358.db2.gz MUDOXTQKMZOAJG-UHFFFAOYSA-N -1 3 358.316 3.339 20 0 FGADHM Cc1cccc(COc2cccc(NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)c2)c1 ZINC000826298528 607736660 /nfs/dbraw/zinc/73/66/60/607736660.db2.gz XFEGSMODKOAYQF-UHFFFAOYSA-N -1 3 374.404 3.335 20 0 FGADHM Cc1cccc(COc2cccc(NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)c2)c1 ZINC000826298528 607736661 /nfs/dbraw/zinc/73/66/61/607736661.db2.gz XFEGSMODKOAYQF-UHFFFAOYSA-N -1 3 374.404 3.335 20 0 FGADHM CC(C)(C(=O)[O-])[C@@H](NCC(=O)NCc1ccc(Cl)cc1)c1ccccc1 ZINC000833411770 605175043 /nfs/dbraw/zinc/17/50/43/605175043.db2.gz DZQVOMYKIVNOSE-SFHVURJKSA-N -1 3 374.868 3.398 20 0 FGADHM CCOc1ccc([C@@H](C)N[C@@H](C(=O)[O-])c2cccc(C(=O)OC)c2)cc1 ZINC000833664324 605194821 /nfs/dbraw/zinc/19/48/21/605194821.db2.gz SBNXMLCFTLHNPV-FZKQIMNGSA-N -1 3 357.406 3.348 20 0 FGADHM CC(C)C(=O)NC1CCN([C@@H](C(=O)[O-])c2ccccc2C(F)(F)F)CC1 ZINC000833462633 605263026 /nfs/dbraw/zinc/26/30/26/605263026.db2.gz FSADXEINLSNWPR-OAHLLOKOSA-N -1 3 372.387 3.068 20 0 FGADHM CC(C)(C)OC(=O)[C@@H]1CCN([C@@H](C(=O)[O-])c2ccccc2C(F)(F)F)C1 ZINC000833432364 605265899 /nfs/dbraw/zinc/26/58/99/605265899.db2.gz MDEYKHBIHPJEBC-BXUZGUMPSA-N -1 3 373.371 3.495 20 0 FGADHM C[C@@]1(NCc2cn(-c3ccc(F)c(Cl)c3)nn2)CCCC[C@@H]1C(=O)[O-] ZINC000833569574 605267569 /nfs/dbraw/zinc/26/75/69/605267569.db2.gz NBMIOLMWCVKCJO-CXAGYDPISA-N -1 3 366.824 3.183 20 0 FGADHM CC1=C(C(=O)[O-])C[C@H](CN2CCC(C(=O)c3ccc(C)cc3C)CC2)O1 ZINC000833582170 605320261 /nfs/dbraw/zinc/32/02/61/605320261.db2.gz DJBKRUXAOZZZPV-QGZVFWFLSA-N -1 3 357.450 3.346 20 0 FGADHM O=C([O-])N1CCC(N(Cc2ccc(Oc3ccccc3)nn2)C2CC2)CC1 ZINC000834084800 605329428 /nfs/dbraw/zinc/32/94/28/605329428.db2.gz OXGBXVYTLVMTPF-UHFFFAOYSA-N -1 3 368.437 3.376 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1CN1CC[C@H](Oc2ccccc2Cl)C1 ZINC000826371397 607753157 /nfs/dbraw/zinc/75/31/57/607753157.db2.gz FFWDWAFLZDOMRG-AWEZNQCLSA-N -1 3 373.819 3.313 20 0 FGADHM CCOc1cc(CN2CC[C@H](NC(=O)[O-])[C@@H](C)C2)ccc1OC(F)F ZINC000833861034 605598370 /nfs/dbraw/zinc/59/83/70/605598370.db2.gz FHHXPNDDQZNOLH-AAEUAGOBSA-N -1 3 358.385 3.165 20 0 FGADHM O=C([O-])NC[C@H](NCCC(=O)N1CCCCC1)c1ccc2ccccc2c1 ZINC000834204837 605974307 /nfs/dbraw/zinc/97/43/07/605974307.db2.gz BJRLWGFRCSWQSU-IBGZPJMESA-N -1 3 369.465 3.141 20 0 FGADHM CC(C)Nc1ccc(F)cc1NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000820137643 606024036 /nfs/dbraw/zinc/02/40/36/606024036.db2.gz MXLHLGUFRGKAHL-YFHOEESVSA-N -1 3 366.400 3.478 20 0 FGADHM CC(C)Nc1ccc(F)cc1NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000820137643 606024042 /nfs/dbraw/zinc/02/40/42/606024042.db2.gz MXLHLGUFRGKAHL-YFHOEESVSA-N -1 3 366.400 3.478 20 0 FGADHM Fc1cccc(OCCNc2nc3ccccc3cc2-c2nnn[n-]2)c1 ZINC000822792447 606044669 /nfs/dbraw/zinc/04/46/69/606044669.db2.gz WUXDPQIZBKLOIT-UHFFFAOYSA-N -1 3 350.357 3.045 20 0 FGADHM Fc1cccc(OCCNc2nc3ccccc3cc2-c2nn[n-]n2)c1 ZINC000822792447 606044676 /nfs/dbraw/zinc/04/46/76/606044676.db2.gz WUXDPQIZBKLOIT-UHFFFAOYSA-N -1 3 350.357 3.045 20 0 FGADHM C[C@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@@H](C)C2)c1cccnc1 ZINC000820727163 606052925 /nfs/dbraw/zinc/05/29/25/606052925.db2.gz HYVFNSPPVDLFHB-MNOVXSKESA-N -1 3 368.466 3.190 20 0 FGADHM C[C@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@@H](C)C2)c1cccnc1 ZINC000820727163 606052928 /nfs/dbraw/zinc/05/29/28/606052928.db2.gz HYVFNSPPVDLFHB-MNOVXSKESA-N -1 3 368.466 3.190 20 0 FGADHM Cc1cc(Br)cc(C)c1CNc1ccc(-c2nnn[n-]2)nc1 ZINC000822161414 606064917 /nfs/dbraw/zinc/06/49/17/606064917.db2.gz PFGBGGYIFMGFGR-UHFFFAOYSA-N -1 3 359.231 3.253 20 0 FGADHM Cc1cc(Br)cc(C)c1CNc1ccc(-c2nn[n-]n2)nc1 ZINC000822161414 606064920 /nfs/dbraw/zinc/06/49/20/606064920.db2.gz PFGBGGYIFMGFGR-UHFFFAOYSA-N -1 3 359.231 3.253 20 0 FGADHM c1ccc2nc(NCc3ccc4c(c3)OCCCO4)c(-c3nnn[n-]3)cc2c1 ZINC000823802684 606070864 /nfs/dbraw/zinc/07/08/64/606070864.db2.gz YBIIDINNXLTRGJ-UHFFFAOYSA-N -1 3 374.404 3.188 20 0 FGADHM c1ccc2nc(NCc3ccc4c(c3)OCCCO4)c(-c3nn[n-]n3)cc2c1 ZINC000823802684 606070870 /nfs/dbraw/zinc/07/08/70/606070870.db2.gz YBIIDINNXLTRGJ-UHFFFAOYSA-N -1 3 374.404 3.188 20 0 FGADHM c1ccc([C@H]2CN(c3nc4ccccc4cc3-c3nnn[n-]3)CCCO2)cc1 ZINC000823780986 606077390 /nfs/dbraw/zinc/07/73/90/606077390.db2.gz XZZSJQJXZLXKNB-LJQANCHMSA-N -1 3 372.432 3.383 20 0 FGADHM c1ccc([C@H]2CN(c3nc4ccccc4cc3-c3nn[n-]n3)CCCO2)cc1 ZINC000823780986 606077394 /nfs/dbraw/zinc/07/73/94/606077394.db2.gz XZZSJQJXZLXKNB-LJQANCHMSA-N -1 3 372.432 3.383 20 0 FGADHM COc1ccc(CNc2ccc(-c3nnn[n-]3)nc2)c(OC2CCCC2)c1 ZINC000821821797 606099914 /nfs/dbraw/zinc/09/99/14/606099914.db2.gz XMAWLXDZMZVMJR-UHFFFAOYSA-N -1 3 366.425 3.204 20 0 FGADHM COc1ccc(CNc2ccc(-c3nn[n-]n3)nc2)c(OC2CCCC2)c1 ZINC000821821797 606099916 /nfs/dbraw/zinc/09/99/16/606099916.db2.gz XMAWLXDZMZVMJR-UHFFFAOYSA-N -1 3 366.425 3.204 20 0 FGADHM CSc1ccc(NC(=O)CNc2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC000821984453 606154371 /nfs/dbraw/zinc/15/43/71/606154371.db2.gz QKZNWSSWAQWTCT-UHFFFAOYSA-N -1 3 374.857 3.293 20 0 FGADHM O=[S@@](Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000823612510 606156329 /nfs/dbraw/zinc/15/63/29/606156329.db2.gz ANWUXHIQJNQQGI-QFIPXVFZSA-N -1 3 353.234 3.481 20 0 FGADHM O=[S@@](Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000823612510 606156331 /nfs/dbraw/zinc/15/63/31/606156331.db2.gz ANWUXHIQJNQQGI-QFIPXVFZSA-N -1 3 353.234 3.481 20 0 FGADHM C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820727131 606188174 /nfs/dbraw/zinc/18/81/74/606188174.db2.gz HCNJLMXHNLULFO-APPDUMDISA-N -1 3 351.385 3.059 20 0 FGADHM C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820727131 606188176 /nfs/dbraw/zinc/18/81/76/606188176.db2.gz HCNJLMXHNLULFO-APPDUMDISA-N -1 3 351.385 3.059 20 0 FGADHM C[C@H]1Sc2ccccc2N(C(=O)c2cccc(-c3nnn[n-]3)c2)[C@H]1C ZINC000820822545 606189659 /nfs/dbraw/zinc/18/96/59/606189659.db2.gz ZJPIVYGCHMXRIX-NWDGAFQWSA-N -1 3 351.435 3.396 20 0 FGADHM C[C@H]1Sc2ccccc2N(C(=O)c2cccc(-c3nn[n-]n3)c2)[C@H]1C ZINC000820822545 606189660 /nfs/dbraw/zinc/18/96/60/606189660.db2.gz ZJPIVYGCHMXRIX-NWDGAFQWSA-N -1 3 351.435 3.396 20 0 FGADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Oc1ccc(Cl)c2ccccc12 ZINC000822665763 606207625 /nfs/dbraw/zinc/20/76/25/606207625.db2.gz XZUQILAVFNADMO-UHFFFAOYSA-N -1 3 353.769 3.231 20 0 FGADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Oc1ccc(Cl)c2ccccc12 ZINC000822665763 606207627 /nfs/dbraw/zinc/20/76/27/606207627.db2.gz XZUQILAVFNADMO-UHFFFAOYSA-N -1 3 353.769 3.231 20 0 FGADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)OC1c2ccccc2-c2ccccc21 ZINC000822655054 606209373 /nfs/dbraw/zinc/20/93/73/606209373.db2.gz BRMREJQZERRGKE-UHFFFAOYSA-N -1 3 357.373 3.132 20 0 FGADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)OC1c2ccccc2-c2ccccc21 ZINC000822655054 606209375 /nfs/dbraw/zinc/20/93/75/606209375.db2.gz BRMREJQZERRGKE-UHFFFAOYSA-N -1 3 357.373 3.132 20 0 FGADHM CC1(C)CN(c2c(-c3nnn[n-]3)cnc3c(F)ccc(F)c32)CCS1 ZINC000820607515 606231072 /nfs/dbraw/zinc/23/10/72/606231072.db2.gz UHBXTDYUWIUJDX-UHFFFAOYSA-N -1 3 362.409 3.025 20 0 FGADHM CC1(C)CN(c2c(-c3nn[n-]n3)cnc3c(F)ccc(F)c32)CCS1 ZINC000820607515 606231074 /nfs/dbraw/zinc/23/10/74/606231074.db2.gz UHBXTDYUWIUJDX-UHFFFAOYSA-N -1 3 362.409 3.025 20 0 FGADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCCCC2)C1CCC(=O)CC1 ZINC000823526106 606233328 /nfs/dbraw/zinc/23/33/28/606233328.db2.gz ZGEYKJSZGQCFQQ-UHFFFAOYSA-N -1 3 373.482 3.285 20 0 FGADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCCCC2)C1CCC(=O)CC1 ZINC000823526106 606233330 /nfs/dbraw/zinc/23/33/30/606233330.db2.gz ZGEYKJSZGQCFQQ-UHFFFAOYSA-N -1 3 373.482 3.285 20 0 FGADHM CN(Cc1ccccc1-c1ccccc1)C(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000821614687 606241341 /nfs/dbraw/zinc/24/13/41/606241341.db2.gz QTBNDIFBOMJKGD-UHFFFAOYSA-N -1 3 372.432 3.144 20 0 FGADHM CN(Cc1ccccc1-c1ccccc1)C(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000821614687 606241342 /nfs/dbraw/zinc/24/13/42/606241342.db2.gz QTBNDIFBOMJKGD-UHFFFAOYSA-N -1 3 372.432 3.144 20 0 FGADHM CCc1ccc(-c2csc(NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)n2)cc1 ZINC000821476900 606249787 /nfs/dbraw/zinc/24/97/87/606249787.db2.gz UGKMDWFNNPVJPC-UHFFFAOYSA-N -1 3 365.422 3.133 20 0 FGADHM CCc1ccc(-c2csc(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)n2)cc1 ZINC000821476900 606249789 /nfs/dbraw/zinc/24/97/89/606249789.db2.gz UGKMDWFNNPVJPC-UHFFFAOYSA-N -1 3 365.422 3.133 20 0 FGADHM CC(C)[C@H](c1ccccc1Cl)N(C)C(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000820033064 606252477 /nfs/dbraw/zinc/25/24/77/606252477.db2.gz SDIMYGHAUPPJGX-MRXNPFEDSA-N -1 3 372.860 3.328 20 0 FGADHM CC(C)[C@H](c1ccccc1Cl)N(C)C(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000820033064 606252479 /nfs/dbraw/zinc/25/24/79/606252479.db2.gz SDIMYGHAUPPJGX-MRXNPFEDSA-N -1 3 372.860 3.328 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)c1cc(F)c(F)cc1Cl ZINC000823344161 606267522 /nfs/dbraw/zinc/26/75/22/606267522.db2.gz SHXIHYMYZVCDTP-UHFFFAOYSA-N -1 3 353.691 3.190 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)c1cc(F)c(F)cc1Cl ZINC000823344161 606267523 /nfs/dbraw/zinc/26/75/23/606267523.db2.gz SHXIHYMYZVCDTP-UHFFFAOYSA-N -1 3 353.691 3.190 20 0 FGADHM CC(C)c1cccc(OCC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000820197034 606269796 /nfs/dbraw/zinc/26/97/96/606269796.db2.gz FCJIVYFQIOCQQK-UHFFFAOYSA-N -1 3 355.373 3.147 20 0 FGADHM CC(C)c1cccc(OCC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000820197034 606269798 /nfs/dbraw/zinc/26/97/98/606269798.db2.gz FCJIVYFQIOCQQK-UHFFFAOYSA-N -1 3 355.373 3.147 20 0 FGADHM Cc1c2ccccc2oc1[C@@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(C)C ZINC000822020514 606280775 /nfs/dbraw/zinc/28/07/75/606280775.db2.gz DNZDHORGOJGAPO-INIZCTEOSA-N -1 3 364.409 3.377 20 0 FGADHM Cc1c2ccccc2oc1[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(C)C ZINC000822020514 606280777 /nfs/dbraw/zinc/28/07/77/606280777.db2.gz DNZDHORGOJGAPO-INIZCTEOSA-N -1 3 364.409 3.377 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H](C)c1ccc(C)o1 ZINC000821117906 606281182 /nfs/dbraw/zinc/28/11/82/606281182.db2.gz CQVCKRMQYILNFR-LBPRGKRZSA-N -1 3 354.414 3.332 20 0 FGADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N1CCC[C@@H]1c1cccc2ccccc21 ZINC000822628309 606281911 /nfs/dbraw/zinc/28/19/11/606281911.db2.gz WSBFLXUZUKORGW-GOSISDBHSA-N -1 3 372.432 3.336 20 0 FGADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N1CCC[C@@H]1c1cccc2ccccc21 ZINC000822628309 606281912 /nfs/dbraw/zinc/28/19/12/606281912.db2.gz WSBFLXUZUKORGW-GOSISDBHSA-N -1 3 372.432 3.336 20 0 FGADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1ccc(CNc2ccccc2)cc1 ZINC000822649653 606293557 /nfs/dbraw/zinc/29/35/57/606293557.db2.gz HFYUOMADRRICGF-UHFFFAOYSA-N -1 3 373.420 3.070 20 0 FGADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1ccc(CNc2ccccc2)cc1 ZINC000822649653 606293559 /nfs/dbraw/zinc/29/35/59/606293559.db2.gz HFYUOMADRRICGF-UHFFFAOYSA-N -1 3 373.420 3.070 20 0 FGADHM Cc1c(COC(C)(C)C)cccc1NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000822029460 606299548 /nfs/dbraw/zinc/29/95/48/606299548.db2.gz ZBYNRCFYRMSNRQ-UHFFFAOYSA-N -1 3 354.414 3.071 20 0 FGADHM Cc1c(COC(C)(C)C)cccc1NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000822029460 606299550 /nfs/dbraw/zinc/29/95/50/606299550.db2.gz ZBYNRCFYRMSNRQ-UHFFFAOYSA-N -1 3 354.414 3.071 20 0 FGADHM COC(=O)[C@@H](N[C@H](C)c1cccc(C)c1C)c1cccc(-c2nnn[n-]2)c1 ZINC000821640877 606306189 /nfs/dbraw/zinc/30/61/89/606306189.db2.gz QUGTZACVYZJYMA-KDOFPFPSSA-N -1 3 365.437 3.048 20 0 FGADHM COC(=O)[C@@H](N[C@H](C)c1cccc(C)c1C)c1cccc(-c2nn[n-]n2)c1 ZINC000821640877 606306190 /nfs/dbraw/zinc/30/61/90/606306190.db2.gz QUGTZACVYZJYMA-KDOFPFPSSA-N -1 3 365.437 3.048 20 0 FGADHM O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823332741 606313288 /nfs/dbraw/zinc/31/32/88/606313288.db2.gz QMETWSUYUIIHEK-UHFFFAOYSA-N -1 3 356.695 3.119 20 0 FGADHM O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823332741 606313290 /nfs/dbraw/zinc/31/32/90/606313290.db2.gz QMETWSUYUIIHEK-UHFFFAOYSA-N -1 3 356.695 3.119 20 0 FGADHM O=C(Nc1nc(-c2ccccc2Cl)cs1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823375641 606320583 /nfs/dbraw/zinc/32/05/83/606320583.db2.gz CQWUMDJJJYWPRU-UHFFFAOYSA-N -1 3 371.813 3.224 20 0 FGADHM O=C(Nc1nc(-c2ccccc2Cl)cs1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823375641 606320586 /nfs/dbraw/zinc/32/05/86/606320586.db2.gz CQWUMDJJJYWPRU-UHFFFAOYSA-N -1 3 371.813 3.224 20 0 FGADHM CCN(C(=O)[C@H](C)Sc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000821148748 606325632 /nfs/dbraw/zinc/32/56/32/606325632.db2.gz PBXUNBUTPMFGNF-ZDUSSCGKSA-N -1 3 353.451 3.400 20 0 FGADHM CCN(C(=O)[C@H](C)Sc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000821148748 606325634 /nfs/dbraw/zinc/32/56/34/606325634.db2.gz PBXUNBUTPMFGNF-ZDUSSCGKSA-N -1 3 353.451 3.400 20 0 FGADHM C[C@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccc(Cl)cn1 ZINC000820555000 606326960 /nfs/dbraw/zinc/32/69/60/606326960.db2.gz DHPNXKRGXJMROS-VIFPVBQESA-N -1 3 360.830 3.034 20 0 FGADHM C[C@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccc(Cl)cn1 ZINC000820555000 606326962 /nfs/dbraw/zinc/32/69/62/606326962.db2.gz DHPNXKRGXJMROS-VIFPVBQESA-N -1 3 360.830 3.034 20 0 FGADHM C[C@@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000820556684 606327236 /nfs/dbraw/zinc/32/72/36/606327236.db2.gz VJHHBAZLEYVFDR-QWHCGFSZSA-N -1 3 365.462 3.325 20 0 FGADHM C[C@@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000820556684 606327238 /nfs/dbraw/zinc/32/72/38/606327238.db2.gz VJHHBAZLEYVFDR-QWHCGFSZSA-N -1 3 365.462 3.325 20 0 FGADHM C[C@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)N1CCCc2ccccc21 ZINC000820556949 606328325 /nfs/dbraw/zinc/32/83/25/606328325.db2.gz WNTDXSFRBMORJY-ZDUSSCGKSA-N -1 3 365.462 3.327 20 0 FGADHM C[C@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)N1CCCc2ccccc21 ZINC000820556949 606328327 /nfs/dbraw/zinc/32/83/27/606328327.db2.gz WNTDXSFRBMORJY-ZDUSSCGKSA-N -1 3 365.462 3.327 20 0 FGADHM C[C@H](Oc1ccc(F)cc1)C(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820536988 606344679 /nfs/dbraw/zinc/34/46/79/606344679.db2.gz ZOFNSBOPCHZUHA-RYUDHWBXSA-N -1 3 356.357 3.078 20 0 FGADHM C[C@H](Oc1ccc(F)cc1)C(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820536988 606344681 /nfs/dbraw/zinc/34/46/81/606344681.db2.gz ZOFNSBOPCHZUHA-RYUDHWBXSA-N -1 3 356.357 3.078 20 0 FGADHM C[C@@H](OC(=O)c1coc(-c2ccccc2)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820518290 606354822 /nfs/dbraw/zinc/35/48/22/606354822.db2.gz AFOUCTGHKYGCOT-GFCCVEGCSA-N -1 3 361.361 3.440 20 0 FGADHM C[C@@H](OC(=O)c1coc(-c2ccccc2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820518290 606354823 /nfs/dbraw/zinc/35/48/23/606354823.db2.gz AFOUCTGHKYGCOT-GFCCVEGCSA-N -1 3 361.361 3.440 20 0 FGADHM CC[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820913516 606355505 /nfs/dbraw/zinc/35/55/05/606355505.db2.gz HOUHBLODFVJBKK-AWEZNQCLSA-N -1 3 354.389 3.149 20 0 FGADHM CC[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820913516 606355507 /nfs/dbraw/zinc/35/55/07/606355507.db2.gz HOUHBLODFVJBKK-AWEZNQCLSA-N -1 3 354.389 3.149 20 0 FGADHM C[C@H](OC(=O)c1cc(F)c(F)c(F)c1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000820508565 606358288 /nfs/dbraw/zinc/35/82/88/606358288.db2.gz RQLILDCKBDXOKQ-ZETCQYMHSA-N -1 3 366.274 3.341 20 0 FGADHM C[C@H](OC(=O)c1cc(F)c(F)c(F)c1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000820508565 606358290 /nfs/dbraw/zinc/35/82/90/606358290.db2.gz RQLILDCKBDXOKQ-ZETCQYMHSA-N -1 3 366.274 3.341 20 0 FGADHM CCCCCn1nc(C)cc1NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000821060388 606367570 /nfs/dbraw/zinc/36/75/70/606367570.db2.gz CWBVQNXWRVUGGM-ZHACJKMWSA-N -1 3 365.441 3.214 20 0 FGADHM CCCCCn1nc(C)cc1NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000821060388 606367571 /nfs/dbraw/zinc/36/75/71/606367571.db2.gz CWBVQNXWRVUGGM-ZHACJKMWSA-N -1 3 365.441 3.214 20 0 FGADHM CCS[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000821456264 606380231 /nfs/dbraw/zinc/38/02/31/606380231.db2.gz OLDMKYPRKURNEN-QWHCGFSZSA-N -1 3 366.878 3.316 20 0 FGADHM CCS[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000821456264 606380233 /nfs/dbraw/zinc/38/02/33/606380233.db2.gz OLDMKYPRKURNEN-QWHCGFSZSA-N -1 3 366.878 3.316 20 0 FGADHM CCS[C@@H]1CCC[C@H](NC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000821456432 606382889 /nfs/dbraw/zinc/38/28/89/606382889.db2.gz PWBQHDKOGPAECC-CMPLNLGQSA-N -1 3 364.450 3.192 20 0 FGADHM CCS[C@@H]1CCC[C@H](NC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000821456432 606382890 /nfs/dbraw/zinc/38/28/90/606382890.db2.gz PWBQHDKOGPAECC-CMPLNLGQSA-N -1 3 364.450 3.192 20 0 FGADHM C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820650261 606383885 /nfs/dbraw/zinc/38/38/85/606383885.db2.gz SVNUXEIXVVRHKT-BBRMVZONSA-N -1 3 356.474 3.223 20 0 FGADHM C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820650261 606383887 /nfs/dbraw/zinc/38/38/87/606383887.db2.gz SVNUXEIXVVRHKT-BBRMVZONSA-N -1 3 356.474 3.223 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)ccc1OCC(=O)c1cc(C)c(F)cc1F ZINC000821394576 606399160 /nfs/dbraw/zinc/39/91/60/606399160.db2.gz LZQLWWGQPWRBGM-UHFFFAOYSA-N -1 3 374.347 3.114 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)ccc1OCC(=O)c1cc(C)c(F)cc1F ZINC000821394576 606399161 /nfs/dbraw/zinc/39/91/61/606399161.db2.gz LZQLWWGQPWRBGM-UHFFFAOYSA-N -1 3 374.347 3.114 20 0 FGADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)cn1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000820455141 606429962 /nfs/dbraw/zinc/42/99/62/606429962.db2.gz FCCTWYWTYSVYHG-SECBINFHSA-N -1 3 368.788 3.138 20 0 FGADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cn1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000820455141 606429964 /nfs/dbraw/zinc/42/99/64/606429964.db2.gz FCCTWYWTYSVYHG-SECBINFHSA-N -1 3 368.788 3.138 20 0 FGADHM C[C@@H]1CN(C(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)C[C@H]1C ZINC000820743024 606433268 /nfs/dbraw/zinc/43/32/68/606433268.db2.gz PKGKOSBKXVHBHM-ZIAGYGMSSA-N -1 3 363.421 3.387 20 0 FGADHM C[C@@H]1CN(C(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)C[C@H]1C ZINC000820743024 606433269 /nfs/dbraw/zinc/43/32/69/606433269.db2.gz PKGKOSBKXVHBHM-ZIAGYGMSSA-N -1 3 363.421 3.387 20 0 FGADHM c1c2ccccc2oc1-c1nnc(Sc2ncccc2-c2nnn[n-]2)o1 ZINC000823809082 606434707 /nfs/dbraw/zinc/43/47/07/606434707.db2.gz IYQFZSIDVUKZIW-UHFFFAOYSA-N -1 3 363.362 3.209 20 0 FGADHM c1c2ccccc2oc1-c1nnc(Sc2ncccc2-c2nn[n-]n2)o1 ZINC000823809082 606434708 /nfs/dbraw/zinc/43/47/08/606434708.db2.gz IYQFZSIDVUKZIW-UHFFFAOYSA-N -1 3 363.362 3.209 20 0 FGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N(CC1CCC1)CC(F)(F)F ZINC000823358961 606439512 /nfs/dbraw/zinc/43/95/12/606439512.db2.gz HUVWYPPAUGQIHQ-UHFFFAOYSA-N -1 3 354.336 3.063 20 0 FGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N(CC1CCC1)CC(F)(F)F ZINC000823358961 606439514 /nfs/dbraw/zinc/43/95/14/606439514.db2.gz HUVWYPPAUGQIHQ-UHFFFAOYSA-N -1 3 354.336 3.063 20 0 FGADHM C[C@@H](Nc1ccc(Cl)cc1-c1nnn[n-]1)c1ccc(-n2cncn2)cc1 ZINC000820455242 606440934 /nfs/dbraw/zinc/44/09/34/606440934.db2.gz FUVSUOFHNBWREN-LLVKDONJSA-N -1 3 366.816 3.274 20 0 FGADHM C[C@@H](Nc1ccc(Cl)cc1-c1nn[n-]n1)c1ccc(-n2cncn2)cc1 ZINC000820455242 606440935 /nfs/dbraw/zinc/44/09/35/606440935.db2.gz FUVSUOFHNBWREN-LLVKDONJSA-N -1 3 366.816 3.274 20 0 FGADHM Cc1cc([C@@H](C)NC(=O)C=Cc2ccccc2-c2nnn[n-]2)ccc1F ZINC000822191800 606450426 /nfs/dbraw/zinc/45/04/26/606450426.db2.gz RGNWTZWRKGQWJS-AORWBKJGSA-N -1 3 351.385 3.205 20 0 FGADHM Cc1cc([C@@H](C)NC(=O)C=Cc2ccccc2-c2nn[n-]n2)ccc1F ZINC000822191800 606450427 /nfs/dbraw/zinc/45/04/27/606450427.db2.gz RGNWTZWRKGQWJS-AORWBKJGSA-N -1 3 351.385 3.205 20 0 FGADHM Cc1c(NCc2cccc(-c3nnn[n-]3)c2)cccc1C(=O)N1CCCC1 ZINC000822123003 606454546 /nfs/dbraw/zinc/45/45/46/606454546.db2.gz SLABSPWIUFMNKM-UHFFFAOYSA-N -1 3 362.437 3.023 20 0 FGADHM Cc1c(NCc2cccc(-c3nn[n-]n3)c2)cccc1C(=O)N1CCCC1 ZINC000822123003 606454547 /nfs/dbraw/zinc/45/45/47/606454547.db2.gz SLABSPWIUFMNKM-UHFFFAOYSA-N -1 3 362.437 3.023 20 0 FGADHM Cc1cc(NCc2cc(-c3nnn[n-]3)ccc2F)ccc1C(=O)NC(C)C ZINC000822209471 606458660 /nfs/dbraw/zinc/45/86/60/606458660.db2.gz KFVXFYBKCDTKKR-UHFFFAOYSA-N -1 3 368.416 3.065 20 0 FGADHM Cc1cc(NCc2cc(-c3nn[n-]n3)ccc2F)ccc1C(=O)NC(C)C ZINC000822209471 606458661 /nfs/dbraw/zinc/45/86/61/606458661.db2.gz KFVXFYBKCDTKKR-UHFFFAOYSA-N -1 3 368.416 3.065 20 0 FGADHM C[C@@H](OC(=O)c1cc(-c2nnn[n-]2)cs1)c1ccc(OC(F)F)cc1 ZINC000820507326 606466069 /nfs/dbraw/zinc/46/60/69/606466069.db2.gz GUGQFHUAACBIGV-MRVPVSSYSA-N -1 3 366.349 3.448 20 0 FGADHM C[C@@H](OC(=O)c1cc(-c2nn[n-]n2)cs1)c1ccc(OC(F)F)cc1 ZINC000820507326 606466071 /nfs/dbraw/zinc/46/60/71/606466071.db2.gz GUGQFHUAACBIGV-MRVPVSSYSA-N -1 3 366.349 3.448 20 0 FGADHM Cc1ccccc1[C@@H]1CN(c2cccc(F)c2-c2nnn[n-]2)[C@H](C)CO1 ZINC000822351744 606476108 /nfs/dbraw/zinc/47/61/08/606476108.db2.gz PVMNWGVIERAUTD-DYVFJYSZSA-N -1 3 353.401 3.281 20 0 FGADHM Cc1ccccc1[C@@H]1CN(c2cccc(F)c2-c2nn[n-]n2)[C@H](C)CO1 ZINC000822351744 606476110 /nfs/dbraw/zinc/47/61/10/606476110.db2.gz PVMNWGVIERAUTD-DYVFJYSZSA-N -1 3 353.401 3.281 20 0 FGADHM O=C(NC[C@H]1CCC[C@H](C(F)(F)F)C1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000823175618 606482543 /nfs/dbraw/zinc/48/25/43/606482543.db2.gz KOUXUGKZDAISHN-JQWIXIFHSA-N -1 3 368.363 3.357 20 0 FGADHM O=C(NC[C@H]1CCC[C@H](C(F)(F)F)C1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000823175618 606482545 /nfs/dbraw/zinc/48/25/45/606482545.db2.gz KOUXUGKZDAISHN-JQWIXIFHSA-N -1 3 368.363 3.357 20 0 FGADHM COc1ccccc1N(C)Cc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000821897878 606484124 /nfs/dbraw/zinc/48/41/24/606484124.db2.gz LELZKEJFYSPAJD-UHFFFAOYSA-N -1 3 361.352 3.113 20 0 FGADHM COc1ccccc1N(C)Cc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000821897878 606484125 /nfs/dbraw/zinc/48/41/25/606484125.db2.gz LELZKEJFYSPAJD-UHFFFAOYSA-N -1 3 361.352 3.113 20 0 FGADHM COc1cccc(CN(CC(C)C)C(=O)c2cc(-c3nnn[n-]3)cs2)c1 ZINC000821868680 606492634 /nfs/dbraw/zinc/49/26/34/606492634.db2.gz UPGBRBZWVICBHI-UHFFFAOYSA-N -1 3 371.466 3.235 20 0 FGADHM COc1cccc(CN(CC(C)C)C(=O)c2cc(-c3nn[n-]n3)cs2)c1 ZINC000821868680 606492635 /nfs/dbraw/zinc/49/26/35/606492635.db2.gz UPGBRBZWVICBHI-UHFFFAOYSA-N -1 3 371.466 3.235 20 0 FGADHM O=C(Nc1cccnc1Oc1ccccc1)c1cc(-c2nnn[n-]2)cs1 ZINC000823373203 606493817 /nfs/dbraw/zinc/49/38/17/606493817.db2.gz SYEBQYGSRVCTFV-UHFFFAOYSA-N -1 3 364.390 3.368 20 0 FGADHM O=C(Nc1cccnc1Oc1ccccc1)c1cc(-c2nn[n-]n2)cs1 ZINC000823373203 606493818 /nfs/dbraw/zinc/49/38/18/606493818.db2.gz SYEBQYGSRVCTFV-UHFFFAOYSA-N -1 3 364.390 3.368 20 0 FGADHM O=C(Nc1cccc(N2CCCCC2)c1)c1cc(-c2nnn[n-]2)cs1 ZINC000823363950 606497804 /nfs/dbraw/zinc/49/78/04/606497804.db2.gz RYGGROWGJCGKMR-UHFFFAOYSA-N -1 3 354.439 3.171 20 0 FGADHM O=C(Nc1cccc(N2CCCCC2)c1)c1cc(-c2nn[n-]n2)cs1 ZINC000823363950 606497806 /nfs/dbraw/zinc/49/78/06/606497806.db2.gz RYGGROWGJCGKMR-UHFFFAOYSA-N -1 3 354.439 3.171 20 0 FGADHM Cc1ccc(NC(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1C(F)(F)F ZINC000822248701 606499207 /nfs/dbraw/zinc/49/92/07/606499207.db2.gz JQINXFNQLDPOER-UHFFFAOYSA-N -1 3 361.327 3.375 20 0 FGADHM Cc1ccc(NC(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1C(F)(F)F ZINC000822248701 606499209 /nfs/dbraw/zinc/49/92/09/606499209.db2.gz JQINXFNQLDPOER-UHFFFAOYSA-N -1 3 361.327 3.375 20 0 FGADHM O=C(NC1(c2ccc(Cl)cc2)CCC1)c1cc(-c2nnn[n-]2)cs1 ZINC000823139259 606501672 /nfs/dbraw/zinc/50/16/72/606501672.db2.gz ANSVDYVBPHFCLG-UHFFFAOYSA-N -1 3 359.842 3.391 20 0 FGADHM O=C(NC1(c2ccc(Cl)cc2)CCC1)c1cc(-c2nn[n-]n2)cs1 ZINC000823139259 606501674 /nfs/dbraw/zinc/50/16/74/606501674.db2.gz ANSVDYVBPHFCLG-UHFFFAOYSA-N -1 3 359.842 3.391 20 0 FGADHM FC(F)(F)CN(Cc1cccs1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000822718517 606506747 /nfs/dbraw/zinc/50/67/47/606506747.db2.gz LITIRQCPLVTORL-UHFFFAOYSA-N -1 3 353.373 3.493 20 0 FGADHM FC(F)(F)CN(Cc1cccs1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000822718517 606506748 /nfs/dbraw/zinc/50/67/48/606506748.db2.gz LITIRQCPLVTORL-UHFFFAOYSA-N -1 3 353.373 3.493 20 0 FGADHM C[C@@H](NC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1ccc(F)c(Cl)c1 ZINC000820334175 606531798 /nfs/dbraw/zinc/53/17/98/606531798.db2.gz KIFBUGBDQADUMQ-SNVBAGLBSA-N -1 3 359.792 3.079 20 0 FGADHM C[C@@H](NC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1ccc(F)c(Cl)c1 ZINC000820334175 606531799 /nfs/dbraw/zinc/53/17/99/606531799.db2.gz KIFBUGBDQADUMQ-SNVBAGLBSA-N -1 3 359.792 3.079 20 0 FGADHM C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)c2cc(-c3nnn[n-]3)cs2)C1 ZINC000820667137 606542159 /nfs/dbraw/zinc/54/21/59/606542159.db2.gz LFXOLZLPQHWUIY-IINYFYTJSA-N -1 3 357.414 3.291 20 0 FGADHM C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)c2cc(-c3nn[n-]n3)cs2)C1 ZINC000820667137 606542161 /nfs/dbraw/zinc/54/21/61/606542161.db2.gz LFXOLZLPQHWUIY-IINYFYTJSA-N -1 3 357.414 3.291 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000823088527 606558990 /nfs/dbraw/zinc/55/89/90/606558990.db2.gz YXCZLLUQIMBBRC-INIZCTEOSA-N -1 3 367.840 3.079 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000823088527 606558992 /nfs/dbraw/zinc/55/89/92/606558992.db2.gz YXCZLLUQIMBBRC-INIZCTEOSA-N -1 3 367.840 3.079 20 0 FGADHM CCC[C@@H]1C[C@@H]1NC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000821034998 606577497 /nfs/dbraw/zinc/57/74/97/606577497.db2.gz YGEGBWIMADGUOR-PELKAZGASA-N -1 3 354.336 3.196 20 0 FGADHM CCC[C@@H]1C[C@@H]1NC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821034998 606577498 /nfs/dbraw/zinc/57/74/98/606577498.db2.gz YGEGBWIMADGUOR-PELKAZGASA-N -1 3 354.336 3.196 20 0 FGADHM C[C@@H]1[C@@H](C)CCN1C(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000820717488 606580528 /nfs/dbraw/zinc/58/05/28/606580528.db2.gz QTHVFQQLYZGCIH-UONOGXRCSA-N -1 3 362.437 3.481 20 0 FGADHM CN(C)C(=O)Sc1ccc(COc2ccc(-c3nnn[n-]3)c(F)c2)cc1 ZINC000821578002 606591079 /nfs/dbraw/zinc/59/10/79/606591079.db2.gz JBDJBIUNALUJFC-UHFFFAOYSA-N -1 3 373.413 3.359 20 0 FGADHM CN(C)C(=O)Sc1ccc(COc2ccc(-c3nn[n-]n3)c(F)c2)cc1 ZINC000821578002 606591081 /nfs/dbraw/zinc/59/10/81/606591081.db2.gz JBDJBIUNALUJFC-UHFFFAOYSA-N -1 3 373.413 3.359 20 0 FGADHM CCNc1ccc(-c2nn[n-]n2)cc1NCC(=O)Nc1ccccc1Cl ZINC000821308619 606599380 /nfs/dbraw/zinc/59/93/80/606599380.db2.gz DPDOIMYVBRXHJS-UHFFFAOYSA-N -1 3 371.832 3.003 20 0 FGADHM Cc1ccc2nc(CNc3cc(-c4nn[n-]n4)ccc3OC(C)C)cn2c1 ZINC000822280031 606600629 /nfs/dbraw/zinc/60/06/29/606600629.db2.gz HXXWCMKTPJQTIJ-UHFFFAOYSA-N -1 3 363.425 3.222 20 0 FGADHM COc1ccc([C@H](C)CC(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821778346 606626526 /nfs/dbraw/zinc/62/65/26/606626526.db2.gz YRFSGEWHHHKQFD-ZIAGYGMSSA-N -1 3 365.437 3.246 20 0 FGADHM COc1ccc([C@H](C)CC(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821778346 606626528 /nfs/dbraw/zinc/62/65/28/606626528.db2.gz YRFSGEWHHHKQFD-ZIAGYGMSSA-N -1 3 365.437 3.246 20 0 FGADHM CCS[C@@H]1CCCC[C@H]1NC(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000821457709 606626824 /nfs/dbraw/zinc/62/68/24/606626824.db2.gz ZRXJQECWNYBQOG-ZIAGYGMSSA-N -1 3 362.528 3.217 20 0 FGADHM CCS[C@@H]1CCCC[C@H]1NC(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000821457709 606626826 /nfs/dbraw/zinc/62/68/26/606626826.db2.gz ZRXJQECWNYBQOG-ZIAGYGMSSA-N -1 3 362.528 3.217 20 0 FGADHM CC[C@@H](C)Oc1ccc(C(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000820875690 606626860 /nfs/dbraw/zinc/62/68/60/606626860.db2.gz CMLKBKJLKSFEPH-CQSZACIVSA-N -1 3 365.437 3.316 20 0 FGADHM CC[C@@H](C)Oc1ccc(C(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000820875690 606626861 /nfs/dbraw/zinc/62/68/61/606626861.db2.gz CMLKBKJLKSFEPH-CQSZACIVSA-N -1 3 365.437 3.316 20 0 FGADHM CN(C(=O)CSc1ccc(Cl)cc1-c1nnn[n-]1)c1ccccc1 ZINC000821571091 606628813 /nfs/dbraw/zinc/62/88/13/606628813.db2.gz ZKIBDIKDHXBNBV-UHFFFAOYSA-N -1 3 359.842 3.275 20 0 FGADHM CN(C(=O)CSc1ccc(Cl)cc1-c1nn[n-]n1)c1ccccc1 ZINC000821571091 606628814 /nfs/dbraw/zinc/62/88/14/606628814.db2.gz ZKIBDIKDHXBNBV-UHFFFAOYSA-N -1 3 359.842 3.275 20 0 FGADHM COc1ccc([C@H](C)CC(=O)Nc2cc(-c3nnn[n-]3)ccc2C)cc1 ZINC000821778150 606630558 /nfs/dbraw/zinc/63/05/58/606630558.db2.gz VOLKADHTFNTHIR-CYBMUJFWSA-N -1 3 351.410 3.316 20 0 FGADHM COc1ccc([C@H](C)CC(=O)Nc2cc(-c3nn[n-]n3)ccc2C)cc1 ZINC000821778150 606630559 /nfs/dbraw/zinc/63/05/59/606630559.db2.gz VOLKADHTFNTHIR-CYBMUJFWSA-N -1 3 351.410 3.316 20 0 FGADHM O=C(OCSc1nc2c(cc1-c1nnn[n-]1)CCCC2)c1ccccc1 ZINC000823413159 606638139 /nfs/dbraw/zinc/63/81/39/606638139.db2.gz BMAKTWDLALIMFW-UHFFFAOYSA-N -1 3 367.434 3.047 20 0 FGADHM O=C(OCSc1nc2c(cc1-c1nn[n-]n1)CCCC2)c1ccccc1 ZINC000823413159 606638140 /nfs/dbraw/zinc/63/81/40/606638140.db2.gz BMAKTWDLALIMFW-UHFFFAOYSA-N -1 3 367.434 3.047 20 0 FGADHM FC(F)(F)COCCCNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000822718620 606656734 /nfs/dbraw/zinc/65/67/34/606656734.db2.gz NEAIVBMIZYGARP-UHFFFAOYSA-N -1 3 369.269 3.266 20 0 FGADHM FC(F)(F)COCCCNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000822718620 606656735 /nfs/dbraw/zinc/65/67/35/606656735.db2.gz NEAIVBMIZYGARP-UHFFFAOYSA-N -1 3 369.269 3.266 20 0 FGADHM C[C@@H](NC(=O)N([C@@H](C)c1ccco1)C1CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820339841 606656945 /nfs/dbraw/zinc/65/69/45/606656945.db2.gz GWUXUSCPMKBCSI-OLZOCXBDSA-N -1 3 366.425 3.456 20 0 FGADHM C[C@@H](NC(=O)N([C@@H](C)c1ccco1)C1CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820339841 606656946 /nfs/dbraw/zinc/65/69/46/606656946.db2.gz GWUXUSCPMKBCSI-OLZOCXBDSA-N -1 3 366.425 3.456 20 0 FGADHM CCOc1ccc([C@@H](C)NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1 ZINC000821417774 606664367 /nfs/dbraw/zinc/66/43/67/606664367.db2.gz RKYLJAJGRAJNOV-SNVBAGLBSA-N -1 3 373.363 3.035 20 0 FGADHM CCOc1ccc([C@@H](C)NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1 ZINC000821417774 606664368 /nfs/dbraw/zinc/66/43/68/606664368.db2.gz RKYLJAJGRAJNOV-SNVBAGLBSA-N -1 3 373.363 3.035 20 0 FGADHM CC(C)C[C@@H](C)OCCC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000820057119 606666792 /nfs/dbraw/zinc/66/67/92/606666792.db2.gz WSQJBYPSTDWSLC-OAHLLOKOSA-N -1 3 371.485 3.199 20 0 FGADHM CC(C)C[C@@H](C)OCCC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000820057119 606666793 /nfs/dbraw/zinc/66/67/93/606666793.db2.gz WSQJBYPSTDWSLC-OAHLLOKOSA-N -1 3 371.485 3.199 20 0 FGADHM Cc1cc([C@H](C)NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c(C)s1 ZINC000822191780 606668571 /nfs/dbraw/zinc/66/85/71/606668571.db2.gz QGLGZZZJPRTQHG-QMMMGPOBSA-N -1 3 363.393 3.314 20 0 FGADHM Cc1cc([C@H](C)NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c(C)s1 ZINC000822191780 606668572 /nfs/dbraw/zinc/66/85/72/606668572.db2.gz QGLGZZZJPRTQHG-QMMMGPOBSA-N -1 3 363.393 3.314 20 0 FGADHM CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000819908245 606669336 /nfs/dbraw/zinc/66/93/36/606669336.db2.gz YELKYAZMEHQRJJ-BXUZGUMPSA-N -1 3 363.412 3.480 20 0 FGADHM CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000819908245 606669337 /nfs/dbraw/zinc/66/93/37/606669337.db2.gz YELKYAZMEHQRJJ-BXUZGUMPSA-N -1 3 363.412 3.480 20 0 FGADHM CC(C)N(Cc1cccs1)C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820120796 606670036 /nfs/dbraw/zinc/67/00/36/606670036.db2.gz JNFXPKSKKYQKDQ-UHFFFAOYSA-N -1 3 363.393 3.257 20 0 FGADHM CC(C)N(Cc1cccs1)C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820120796 606670037 /nfs/dbraw/zinc/67/00/37/606670037.db2.gz JNFXPKSKKYQKDQ-UHFFFAOYSA-N -1 3 363.393 3.257 20 0 FGADHM COC[C@H](C)CC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000821681330 606672643 /nfs/dbraw/zinc/67/26/43/606672643.db2.gz HWCQYQLORMWUQE-CYBMUJFWSA-N -1 3 367.409 3.270 20 0 FGADHM COC[C@H](C)CC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000821681330 606672644 /nfs/dbraw/zinc/67/26/44/606672644.db2.gz HWCQYQLORMWUQE-CYBMUJFWSA-N -1 3 367.409 3.270 20 0 FGADHM C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820664769 606679592 /nfs/dbraw/zinc/67/95/92/606679592.db2.gz BTTVMTLFLRLCIC-SMDDNHRTSA-N -1 3 369.375 3.163 20 0 FGADHM C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820664769 606679593 /nfs/dbraw/zinc/67/95/93/606679593.db2.gz BTTVMTLFLRLCIC-SMDDNHRTSA-N -1 3 369.375 3.163 20 0 FGADHM C[C@H]1C[C@H](c2ccccc2)CN1C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820664767 606679661 /nfs/dbraw/zinc/67/96/61/606679661.db2.gz BTTVMTLFLRLCIC-FZMZJTMJSA-N -1 3 369.375 3.163 20 0 FGADHM C[C@H]1C[C@H](c2ccccc2)CN1C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820664767 606679662 /nfs/dbraw/zinc/67/96/62/606679662.db2.gz BTTVMTLFLRLCIC-FZMZJTMJSA-N -1 3 369.375 3.163 20 0 FGADHM Cc1nc(CC(C)C)c(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)s1 ZINC000822436490 606684672 /nfs/dbraw/zinc/68/46/72/606684672.db2.gz NVARHOLBXAOMTN-NSHDSACASA-N -1 3 370.482 3.321 20 0 FGADHM Cc1nc(CC(C)C)c(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)s1 ZINC000822436490 606684673 /nfs/dbraw/zinc/68/46/73/606684673.db2.gz NVARHOLBXAOMTN-NSHDSACASA-N -1 3 370.482 3.321 20 0 FGADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OCc1nc(C)c(C)s1 ZINC000821699417 606706365 /nfs/dbraw/zinc/70/63/65/606706365.db2.gz PBMJBOOYELSXIV-UHFFFAOYSA-N -1 3 351.819 3.181 20 0 FGADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OCc1nc(C)c(C)s1 ZINC000821699417 606706367 /nfs/dbraw/zinc/70/63/67/606706367.db2.gz PBMJBOOYELSXIV-UHFFFAOYSA-N -1 3 351.819 3.181 20 0 FGADHM Cc1cc(C)n(-c2ccccc2CNc2nc(C)cc(C)c2-c2nnn[n-]2)n1 ZINC000822192957 606723349 /nfs/dbraw/zinc/72/33/49/606723349.db2.gz GTIGTAXEXNCOCY-UHFFFAOYSA-N -1 3 374.452 3.293 20 0 FGADHM Cc1cc(C)n(-c2ccccc2CNc2nc(C)cc(C)c2-c2nn[n-]n2)n1 ZINC000822192957 606723353 /nfs/dbraw/zinc/72/33/53/606723353.db2.gz GTIGTAXEXNCOCY-UHFFFAOYSA-N -1 3 374.452 3.293 20 0 FGADHM CC(C)CC1CCN(C(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000820067196 606743777 /nfs/dbraw/zinc/74/37/77/606743777.db2.gz GBXPGFRVFRGJAP-AWEZNQCLSA-N -1 3 356.474 3.395 20 0 FGADHM CC(C)CC1CCN(C(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000820067196 606743778 /nfs/dbraw/zinc/74/37/78/606743778.db2.gz GBXPGFRVFRGJAP-AWEZNQCLSA-N -1 3 356.474 3.395 20 0 FGADHM C[C@@H](OC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1cc(F)ccc1F ZINC000820499937 606747513 /nfs/dbraw/zinc/74/75/13/606747513.db2.gz ATMQRZZEKCUKDI-SSDOTTSWSA-N -1 3 366.274 3.341 20 0 FGADHM C[C@@H](OC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1cc(F)ccc1F ZINC000820499937 606747515 /nfs/dbraw/zinc/74/75/15/606747515.db2.gz ATMQRZZEKCUKDI-SSDOTTSWSA-N -1 3 366.274 3.341 20 0 FGADHM Cc1ccc(-c2noc(COc3cc(Cl)ccc3-c3nnn[n-]3)n2)cc1 ZINC000822223628 606782973 /nfs/dbraw/zinc/78/29/73/606782973.db2.gz DTHLGYLKTYQNJW-UHFFFAOYSA-N -1 3 368.784 3.458 20 0 FGADHM Cc1ccc(-c2noc(COc3cc(Cl)ccc3-c3nn[n-]n3)n2)cc1 ZINC000822223628 606782975 /nfs/dbraw/zinc/78/29/75/606782975.db2.gz DTHLGYLKTYQNJW-UHFFFAOYSA-N -1 3 368.784 3.458 20 0 FGADHM CC(C)CC1(CNC(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)CCC1 ZINC000820061512 606787886 /nfs/dbraw/zinc/78/78/86/606787886.db2.gz DSHZDEPRYPCIJN-CQSZACIVSA-N -1 3 356.474 3.443 20 0 FGADHM CC(C)CC1(CNC(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)CCC1 ZINC000820061512 606787888 /nfs/dbraw/zinc/78/78/88/606787888.db2.gz DSHZDEPRYPCIJN-CQSZACIVSA-N -1 3 356.474 3.443 20 0 FGADHM CC(C)CC1(CNC(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)CCC1 ZINC000820063167 606799232 /nfs/dbraw/zinc/79/92/32/606799232.db2.gz SDFXZEAIDOZVGM-UHFFFAOYSA-N -1 3 356.474 3.225 20 0 FGADHM CC(C)CC1(CNC(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)CCC1 ZINC000820063167 606799234 /nfs/dbraw/zinc/79/92/34/606799234.db2.gz SDFXZEAIDOZVGM-UHFFFAOYSA-N -1 3 356.474 3.225 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)Nc1ccccc1OCC(F)F ZINC000822220387 606806563 /nfs/dbraw/zinc/80/65/63/606806563.db2.gz PLFCOKDLKRNAET-UHFFFAOYSA-N -1 3 374.351 3.463 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)Nc1ccccc1OCC(F)F ZINC000822220387 606806564 /nfs/dbraw/zinc/80/65/64/606806564.db2.gz PLFCOKDLKRNAET-UHFFFAOYSA-N -1 3 374.351 3.463 20 0 FGADHM CC(C)CC1(CNC(=O)CSc2ccc(-c3nnn[n-]3)cc2)CCC1 ZINC000820063641 606811796 /nfs/dbraw/zinc/81/17/96/606811796.db2.gz XUVKFCZAAJLPGY-UHFFFAOYSA-N -1 3 359.499 3.291 20 0 FGADHM CC(C)CC1(CNC(=O)CSc2ccc(-c3nn[n-]n3)cc2)CCC1 ZINC000820063641 606811797 /nfs/dbraw/zinc/81/17/97/606811797.db2.gz XUVKFCZAAJLPGY-UHFFFAOYSA-N -1 3 359.499 3.291 20 0 FGADHM C[C@@H](NC(=O)N1CCc2c1cccc2Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000820351671 606831151 /nfs/dbraw/zinc/83/11/51/606831151.db2.gz QTJBCVNPGINXCU-LLVKDONJSA-N -1 3 368.828 3.353 20 0 FGADHM C[C@@H](NC(=O)N1CCc2c1cccc2Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000820351671 606831152 /nfs/dbraw/zinc/83/11/52/606831152.db2.gz QTJBCVNPGINXCU-LLVKDONJSA-N -1 3 368.828 3.353 20 0 FGADHM c1cn(C2CCCC2)nc1Cn1ccc(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000823743096 606839965 /nfs/dbraw/zinc/83/99/65/606839965.db2.gz SQGCASHWRFVNHK-UHFFFAOYSA-N -1 3 360.425 3.090 20 0 FGADHM c1cn(C2CCCC2)nc1Cn1ccc(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000823743096 606839967 /nfs/dbraw/zinc/83/99/67/606839967.db2.gz SQGCASHWRFVNHK-UHFFFAOYSA-N -1 3 360.425 3.090 20 0 FGADHM CC(C)c1noc(CSCCCOc2cccc(-c3nnn[n-]3)c2)n1 ZINC000820211440 606840604 /nfs/dbraw/zinc/84/06/04/606840604.db2.gz MWUPFVYZDUIZTK-UHFFFAOYSA-N -1 3 360.443 3.075 20 0 FGADHM CC(C)c1noc(CSCCCOc2cccc(-c3nn[n-]n3)c2)n1 ZINC000820211440 606840605 /nfs/dbraw/zinc/84/06/05/606840605.db2.gz MWUPFVYZDUIZTK-UHFFFAOYSA-N -1 3 360.443 3.075 20 0 FGADHM CC(C)Cc1noc(CSCCCOc2cccc(-c3nnn[n-]3)c2)n1 ZINC000820109032 606840711 /nfs/dbraw/zinc/84/07/11/606840711.db2.gz ZYCZVFZYDHGRGF-UHFFFAOYSA-N -1 3 374.470 3.151 20 0 FGADHM CC(C)Cc1noc(CSCCCOc2cccc(-c3nn[n-]n3)c2)n1 ZINC000820109032 606840712 /nfs/dbraw/zinc/84/07/12/606840712.db2.gz ZYCZVFZYDHGRGF-UHFFFAOYSA-N -1 3 374.470 3.151 20 0 FGADHM CCN(C(=O)C[C@H](C)c1ccncc1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821147865 606857041 /nfs/dbraw/zinc/85/70/41/606857041.db2.gz KGRXLHVLOWXOLR-LSDHHAIUSA-N -1 3 364.453 3.365 20 0 FGADHM CCN(C(=O)C[C@H](C)c1ccncc1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821147865 606857043 /nfs/dbraw/zinc/85/70/43/606857043.db2.gz KGRXLHVLOWXOLR-LSDHHAIUSA-N -1 3 364.453 3.365 20 0 FGADHM COc1c(F)cc(NCCCOc2cccc(-c3nnn[n-]3)c2)cc1F ZINC000821698278 606863742 /nfs/dbraw/zinc/86/37/42/606863742.db2.gz CLUXWVKJAXXGBG-UHFFFAOYSA-N -1 3 361.352 3.035 20 0 FGADHM COc1c(F)cc(NCCCOc2cccc(-c3nn[n-]n3)c2)cc1F ZINC000821698278 606863744 /nfs/dbraw/zinc/86/37/44/606863744.db2.gz CLUXWVKJAXXGBG-UHFFFAOYSA-N -1 3 361.352 3.035 20 0 FGADHM Cc1cnc(CNc2ccc(OCc3cccc(-c4nnn[n-]4)c3)cc2)o1 ZINC000822395237 606864312 /nfs/dbraw/zinc/86/43/12/606864312.db2.gz XOINVCSZUXIELW-UHFFFAOYSA-N -1 3 362.393 3.354 20 0 FGADHM Cc1cnc(CNc2ccc(OCc3cccc(-c4nn[n-]n4)c3)cc2)o1 ZINC000822395237 606864314 /nfs/dbraw/zinc/86/43/14/606864314.db2.gz XOINVCSZUXIELW-UHFFFAOYSA-N -1 3 362.393 3.354 20 0 FGADHM CCS[C@@H]1CC[C@H](N(C)C(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000821446875 606864332 /nfs/dbraw/zinc/86/43/32/606864332.db2.gz FAAHXMBICLGBFN-VBNZEHGJSA-N -1 3 374.514 3.243 20 0 FGADHM CCS[C@@H]1CC[C@H](N(C)C(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821446875 606864334 /nfs/dbraw/zinc/86/43/34/606864334.db2.gz FAAHXMBICLGBFN-VBNZEHGJSA-N -1 3 374.514 3.243 20 0 FGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)C1(Cc2ccccc2)CCC1 ZINC000823249530 606864686 /nfs/dbraw/zinc/86/46/86/606864686.db2.gz CGYULMUIFFHBPZ-UHFFFAOYSA-N -1 3 365.412 3.035 20 0 FGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)C1(Cc2ccccc2)CCC1 ZINC000823249530 606864687 /nfs/dbraw/zinc/86/46/87/606864687.db2.gz CGYULMUIFFHBPZ-UHFFFAOYSA-N -1 3 365.412 3.035 20 0 FGADHM Cn1ccc(C(=O)Nc2ccc(OCc3cccc(-c4nnn[n-]4)c3)cc2)c1 ZINC000822685314 606873771 /nfs/dbraw/zinc/87/37/71/606873771.db2.gz XAKJPUOLACMBKM-UHFFFAOYSA-N -1 3 374.404 3.037 20 0 FGADHM Cn1ccc(C(=O)Nc2ccc(OCc3cccc(-c4nn[n-]n4)c3)cc2)c1 ZINC000822685314 606873773 /nfs/dbraw/zinc/87/37/73/606873773.db2.gz XAKJPUOLACMBKM-UHFFFAOYSA-N -1 3 374.404 3.037 20 0 FGADHM CO[C@H](CNc1nc(C)cc(C)c1-c1nnn[n-]1)c1ccccc1Cl ZINC000821677841 606880196 /nfs/dbraw/zinc/88/01/96/606880196.db2.gz FRWGFJKUQNRZAC-CQSZACIVSA-N -1 3 358.833 3.332 20 0 FGADHM CO[C@H](CNc1nc(C)cc(C)c1-c1nn[n-]n1)c1ccccc1Cl ZINC000821677841 606880197 /nfs/dbraw/zinc/88/01/97/606880197.db2.gz FRWGFJKUQNRZAC-CQSZACIVSA-N -1 3 358.833 3.332 20 0 FGADHM C[C@H](COC(=O)CCc1ccc(-c2nnn[n-]2)cc1)COc1ccccc1 ZINC000820287028 606896948 /nfs/dbraw/zinc/89/69/48/606896948.db2.gz JFLHVGKDAFOKQC-HNNXBMFYSA-N -1 3 366.421 3.058 20 0 FGADHM C[C@H](COC(=O)CCc1ccc(-c2nn[n-]n2)cc1)COc1ccccc1 ZINC000820287028 606896950 /nfs/dbraw/zinc/89/69/50/606896950.db2.gz JFLHVGKDAFOKQC-HNNXBMFYSA-N -1 3 366.421 3.058 20 0 FGADHM CCS[C@@H]1CC[C@H](N(C)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000821446431 606907873 /nfs/dbraw/zinc/90/78/73/606907873.db2.gz AKUYWAQAIKJPMU-NWDGAFQWSA-N -1 3 364.450 3.144 20 0 FGADHM CCS[C@@H]1CC[C@H](N(C)C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000821446431 606907875 /nfs/dbraw/zinc/90/78/75/606907875.db2.gz AKUYWAQAIKJPMU-NWDGAFQWSA-N -1 3 364.450 3.144 20 0 FGADHM C[C@@H](OC(=O)COC/C=C/c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820495615 606920517 /nfs/dbraw/zinc/92/05/17/606920517.db2.gz INAPDSFVVLEDNO-RZIFZGNASA-N -1 3 364.405 3.201 20 0 FGADHM C[C@@H](OC(=O)COC/C=C/c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820495615 606920518 /nfs/dbraw/zinc/92/05/18/606920518.db2.gz INAPDSFVVLEDNO-RZIFZGNASA-N -1 3 364.405 3.201 20 0 FGADHM CCc1nnc(Oc2ccc(C(C)=O)cc2C)c(-c2nnn[n-]2)c1CC ZINC000821548623 606931186 /nfs/dbraw/zinc/93/11/86/606931186.db2.gz QYNVXMYLMYVJIY-UHFFFAOYSA-N -1 3 352.398 3.085 20 0 FGADHM CCOCCC1(C(=O)OCc2cc(F)ccc2-c2nnn[n-]2)CCCC1 ZINC000821373710 606953665 /nfs/dbraw/zinc/95/36/65/606953665.db2.gz LCJJCOFGJDAPSQ-UHFFFAOYSA-N -1 3 362.405 3.036 20 0 FGADHM CCOCCC1(C(=O)OCc2cc(F)ccc2-c2nn[n-]n2)CCCC1 ZINC000821373710 606953667 /nfs/dbraw/zinc/95/36/67/606953667.db2.gz LCJJCOFGJDAPSQ-UHFFFAOYSA-N -1 3 362.405 3.036 20 0 FGADHM C[C@H]1CCC[C@H](OCC(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)C1 ZINC000820696712 606962036 /nfs/dbraw/zinc/96/20/36/606962036.db2.gz BLHIXHOQVQNOMD-AAEUAGOBSA-N -1 3 363.849 3.078 20 0 FGADHM C[C@H]1CCC[C@H](OCC(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)C1 ZINC000820696712 606962038 /nfs/dbraw/zinc/96/20/38/606962038.db2.gz BLHIXHOQVQNOMD-AAEUAGOBSA-N -1 3 363.849 3.078 20 0 FGADHM CN(C(=O)Cc1ccc(Cl)cc1Cl)c1ccccc1-c1nnn[n-]1 ZINC000821571029 606972992 /nfs/dbraw/zinc/97/29/92/606972992.db2.gz WKLKUVWVSUNJMR-UHFFFAOYSA-N -1 3 362.220 3.379 20 0 FGADHM CN(C(=O)Cc1ccc(Cl)cc1Cl)c1ccccc1-c1nn[n-]n1 ZINC000821571029 606972993 /nfs/dbraw/zinc/97/29/93/606972993.db2.gz WKLKUVWVSUNJMR-UHFFFAOYSA-N -1 3 362.220 3.379 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NCc1nc(-c2ccc(F)c(C)c2)no1 ZINC000822154037 606986014 /nfs/dbraw/zinc/98/60/14/606986014.db2.gz TZHQRXKXBYJYFH-UHFFFAOYSA-N -1 3 365.372 3.285 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NCc1nc(-c2ccc(F)c(C)c2)no1 ZINC000822154037 606986015 /nfs/dbraw/zinc/98/60/15/606986015.db2.gz TZHQRXKXBYJYFH-UHFFFAOYSA-N -1 3 365.372 3.285 20 0 FGADHM Cc1ccc(OCCCC(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000822263484 606989176 /nfs/dbraw/zinc/98/91/76/606989176.db2.gz QBQJUCFRSUKAPG-UHFFFAOYSA-N -1 3 370.384 3.217 20 0 FGADHM Cc1ccc(OCCCC(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000822263484 606989177 /nfs/dbraw/zinc/98/91/77/606989177.db2.gz QBQJUCFRSUKAPG-UHFFFAOYSA-N -1 3 370.384 3.217 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)c1sccc1-n1cccc1 ZINC000823427139 606993424 /nfs/dbraw/zinc/99/34/24/606993424.db2.gz YCPKXKBDOGKDGB-UHFFFAOYSA-N -1 3 369.381 3.215 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)c1sccc1-n1cccc1 ZINC000823427139 606993426 /nfs/dbraw/zinc/99/34/26/606993426.db2.gz YCPKXKBDOGKDGB-UHFFFAOYSA-N -1 3 369.381 3.215 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cccc(C(C)=O)c1 ZINC000821104446 606993668 /nfs/dbraw/zinc/99/36/68/606993668.db2.gz DEMSTXJPXUNQJD-UHFFFAOYSA-N -1 3 363.421 3.122 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cccc(C(C)=O)c1 ZINC000821104446 606993669 /nfs/dbraw/zinc/99/36/69/606993669.db2.gz DEMSTXJPXUNQJD-UHFFFAOYSA-N -1 3 363.421 3.122 20 0 FGADHM Cc1ccccc1C(C)(C)C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822345778 606997465 /nfs/dbraw/zinc/99/74/65/606997465.db2.gz RIEBSDJMDYAMBH-UHFFFAOYSA-N -1 3 354.385 3.335 20 0 FGADHM Cc1ccccc1C(C)(C)C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822345778 606997466 /nfs/dbraw/zinc/99/74/66/606997466.db2.gz RIEBSDJMDYAMBH-UHFFFAOYSA-N -1 3 354.385 3.335 20 0 FGADHM CC(C)Oc1ccccc1CC(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820178372 606997970 /nfs/dbraw/zinc/99/79/70/606997970.db2.gz NSMPIPFVVWDKMY-UHFFFAOYSA-N -1 3 370.384 3.079 20 0 FGADHM CC(C)Oc1ccccc1CC(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820178372 606997971 /nfs/dbraw/zinc/99/79/71/606997971.db2.gz NSMPIPFVVWDKMY-UHFFFAOYSA-N -1 3 370.384 3.079 20 0 FGADHM C[C@@H](CCc1cccc(F)c1)C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820253489 607001583 /nfs/dbraw/zinc/00/15/83/607001583.db2.gz IXDYPAFSVORHTK-LBPRGKRZSA-N -1 3 372.375 3.457 20 0 FGADHM C[C@@H](CCc1cccc(F)c1)C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820253489 607001584 /nfs/dbraw/zinc/00/15/84/607001584.db2.gz IXDYPAFSVORHTK-LBPRGKRZSA-N -1 3 372.375 3.457 20 0 FGADHM COc1ccc([C@@H](C)CC(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000821777852 607002073 /nfs/dbraw/zinc/00/20/73/607002073.db2.gz NATDTGITCWVFTD-LBPRGKRZSA-N -1 3 370.384 3.251 20 0 FGADHM COc1ccc([C@@H](C)CC(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000821777852 607002075 /nfs/dbraw/zinc/00/20/75/607002075.db2.gz NATDTGITCWVFTD-LBPRGKRZSA-N -1 3 370.384 3.251 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)c1cccc(F)c1Cl ZINC000823426844 607002834 /nfs/dbraw/zinc/00/28/34/607002834.db2.gz OBMSSJDFCANJMU-UHFFFAOYSA-N -1 3 350.712 3.155 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)c1cccc(F)c1Cl ZINC000823426844 607002836 /nfs/dbraw/zinc/00/28/36/607002836.db2.gz OBMSSJDFCANJMU-UHFFFAOYSA-N -1 3 350.712 3.155 20 0 FGADHM CC(=O)N(c1nc(CSc2cccc(-c3nnn[n-]3)c2)cs1)C1CC1 ZINC000819789502 607010038 /nfs/dbraw/zinc/01/00/38/607010038.db2.gz QQMKPSIMRLUDHQ-UHFFFAOYSA-N -1 3 372.479 3.131 20 0 FGADHM CC(=O)N(c1nc(CSc2cccc(-c3nn[n-]n3)c2)cs1)C1CC1 ZINC000819789502 607010039 /nfs/dbraw/zinc/01/00/39/607010039.db2.gz QQMKPSIMRLUDHQ-UHFFFAOYSA-N -1 3 372.479 3.131 20 0 FGADHM Cc1ccc(F)cc1NC(=O)[C@H](C)Sc1cccc(-c2nnn[n-]2)c1 ZINC000822241545 607016033 /nfs/dbraw/zinc/01/60/33/607016033.db2.gz ZKQQHPKNXQNUMP-NSHDSACASA-N -1 3 357.414 3.434 20 0 FGADHM Cc1ccc(F)cc1NC(=O)[C@H](C)Sc1cccc(-c2nn[n-]n2)c1 ZINC000822241545 607016036 /nfs/dbraw/zinc/01/60/36/607016036.db2.gz ZKQQHPKNXQNUMP-NSHDSACASA-N -1 3 357.414 3.434 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc(-c2ccco2)s1 ZINC000821765948 607017849 /nfs/dbraw/zinc/01/78/49/607017849.db2.gz NWQABYVUTHMYSS-UHFFFAOYSA-N -1 3 367.390 3.449 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(-c2ccco2)s1 ZINC000821765948 607017851 /nfs/dbraw/zinc/01/78/51/607017851.db2.gz NWQABYVUTHMYSS-UHFFFAOYSA-N -1 3 367.390 3.449 20 0 FGADHM O=C(Cc1ccco1)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000823115883 607023572 /nfs/dbraw/zinc/02/35/72/607023572.db2.gz WJMVHNDMSJVEQH-UHFFFAOYSA-N -1 3 361.361 3.433 20 0 FGADHM O=C(Cc1ccco1)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000823115883 607023574 /nfs/dbraw/zinc/02/35/74/607023574.db2.gz WJMVHNDMSJVEQH-UHFFFAOYSA-N -1 3 361.361 3.433 20 0 FGADHM O=C(Cc1ccco1)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000823115509 607025288 /nfs/dbraw/zinc/02/52/88/607025288.db2.gz QAVDZTJQKQHXDW-UHFFFAOYSA-N -1 3 361.361 3.433 20 0 FGADHM O=C(Cc1ccco1)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000823115509 607025290 /nfs/dbraw/zinc/02/52/90/607025290.db2.gz QAVDZTJQKQHXDW-UHFFFAOYSA-N -1 3 361.361 3.433 20 0 FGADHM CC[C@H]1CCC[C@H](NC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820972941 607042912 /nfs/dbraw/zinc/04/29/12/607042912.db2.gz SDRJZJNHSWTTSL-ZFWWWQNUSA-N -1 3 357.458 3.109 20 0 FGADHM CC[C@H]1CCC[C@H](NC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820972941 607042913 /nfs/dbraw/zinc/04/29/13/607042913.db2.gz SDRJZJNHSWTTSL-ZFWWWQNUSA-N -1 3 357.458 3.109 20 0 FGADHM CC(C)C[C@@H]1CCCN(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000820067111 607057585 /nfs/dbraw/zinc/05/75/85/607057585.db2.gz CZSVJDFMWMHZAM-GJZGRUSLSA-N -1 3 356.474 3.395 20 0 FGADHM CC(C)C[C@@H]1CCCN(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000820067111 607057586 /nfs/dbraw/zinc/05/75/86/607057586.db2.gz CZSVJDFMWMHZAM-GJZGRUSLSA-N -1 3 356.474 3.395 20 0 FGADHM CC(C)C[C@@H]1CCCN(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000820067110 607057632 /nfs/dbraw/zinc/05/76/32/607057632.db2.gz CZSVJDFMWMHZAM-CABCVRRESA-N -1 3 356.474 3.395 20 0 FGADHM CC(C)C[C@@H]1CCCN(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000820067110 607057633 /nfs/dbraw/zinc/05/76/33/607057633.db2.gz CZSVJDFMWMHZAM-CABCVRRESA-N -1 3 356.474 3.395 20 0 FGADHM Cc1ccc(NC(=O)c2cc(-c3nnn[n-]3)cs2)cc1-c1ncco1 ZINC000822254399 607070077 /nfs/dbraw/zinc/07/00/77/607070077.db2.gz ISWDODYOEVBIAW-UHFFFAOYSA-N -1 3 352.379 3.144 20 0 FGADHM Cc1ccc(NC(=O)c2cc(-c3nn[n-]n3)cs2)cc1-c1ncco1 ZINC000822254399 607070079 /nfs/dbraw/zinc/07/00/79/607070079.db2.gz ISWDODYOEVBIAW-UHFFFAOYSA-N -1 3 352.379 3.144 20 0 FGADHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000823413444 607079413 /nfs/dbraw/zinc/07/94/13/607079413.db2.gz HSJKMXOBEQDAPU-GXSJLCMTSA-N -1 3 372.322 3.418 20 0 FGADHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000823413444 607079416 /nfs/dbraw/zinc/07/94/16/607079416.db2.gz HSJKMXOBEQDAPU-GXSJLCMTSA-N -1 3 372.322 3.418 20 0 FGADHM Cc1cc(Cl)ncc1NC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000822202437 607079680 /nfs/dbraw/zinc/07/96/80/607079680.db2.gz ZYJGXHZFNDRMOM-JTQLQIEISA-N -1 3 357.805 3.106 20 0 FGADHM Cc1cc(Cl)ncc1NC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000822202437 607079682 /nfs/dbraw/zinc/07/96/82/607079682.db2.gz ZYJGXHZFNDRMOM-JTQLQIEISA-N -1 3 357.805 3.106 20 0 FGADHM CCc1ccc(OC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821487087 607079989 /nfs/dbraw/zinc/07/99/89/607079989.db2.gz QFJZRJCMSFOGHH-UHFFFAOYSA-N -1 3 352.394 3.192 20 0 FGADHM CCc1ccc(OC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821487087 607079990 /nfs/dbraw/zinc/07/99/90/607079990.db2.gz QFJZRJCMSFOGHH-UHFFFAOYSA-N -1 3 352.394 3.192 20 0 FGADHM C[C@H](OC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000820481034 607082606 /nfs/dbraw/zinc/08/26/06/607082606.db2.gz RTTBRNRGZCYIGS-ZDUSSCGKSA-N -1 3 352.394 3.329 20 0 FGADHM C[C@H](OC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000820481034 607082608 /nfs/dbraw/zinc/08/26/08/607082608.db2.gz RTTBRNRGZCYIGS-ZDUSSCGKSA-N -1 3 352.394 3.329 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@H](CC(C)C)C1 ZINC000821763245 607094664 /nfs/dbraw/zinc/09/46/64/607094664.db2.gz WVRTXYFMAFXXMD-CYBMUJFWSA-N -1 3 358.446 3.165 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@H](CC(C)C)C1 ZINC000821763245 607094665 /nfs/dbraw/zinc/09/46/65/607094665.db2.gz WVRTXYFMAFXXMD-CYBMUJFWSA-N -1 3 358.446 3.165 20 0 FGADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1CCCc2ccccc21 ZINC000821293208 607099387 /nfs/dbraw/zinc/09/93/87/607099387.db2.gz IBFLHCSXUFXTPQ-MRXNPFEDSA-N -1 3 362.437 3.357 20 0 FGADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccnc(SCC)c1 ZINC000821308884 607102595 /nfs/dbraw/zinc/10/25/95/607102595.db2.gz GYIAJWDQZGSPMO-UHFFFAOYSA-N -1 3 369.454 3.058 20 0 FGADHM Fc1cccc(NCCc2nc(-c3ccncc3)cs2)c1-c1nnn[n-]1 ZINC000822791250 607110237 /nfs/dbraw/zinc/11/02/37/607110237.db2.gz GGNRZVFHHRHCIC-UHFFFAOYSA-N -1 3 367.413 3.179 20 0 FGADHM Fc1cccc(NCCc2nc(-c3ccncc3)cs2)c1-c1nn[n-]n1 ZINC000822791250 607110239 /nfs/dbraw/zinc/11/02/39/607110239.db2.gz GGNRZVFHHRHCIC-UHFFFAOYSA-N -1 3 367.413 3.179 20 0 FGADHM O=C1OC(c2ccc(-c3nnn[n-]3)cc2)=NC1=Cc1cccc(Cl)c1F ZINC000823547810 607111858 /nfs/dbraw/zinc/11/18/58/607111858.db2.gz PJTSHQMLFAGCTK-MDWZMJQESA-N -1 3 369.743 3.004 20 0 FGADHM O=C1OC(c2ccc(-c3nn[n-]n3)cc2)=NC1=Cc1cccc(Cl)c1F ZINC000823547810 607111860 /nfs/dbraw/zinc/11/18/60/607111860.db2.gz PJTSHQMLFAGCTK-MDWZMJQESA-N -1 3 369.743 3.004 20 0 FGADHM C[C@H](Cc1ccccc1Br)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000820301129 607114351 /nfs/dbraw/zinc/11/43/51/607114351.db2.gz VGBDNMADPBMEPW-SNVBAGLBSA-N -1 3 359.231 3.067 20 0 FGADHM C[C@H](Cc1ccccc1Br)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000820301129 607114353 /nfs/dbraw/zinc/11/43/53/607114353.db2.gz VGBDNMADPBMEPW-SNVBAGLBSA-N -1 3 359.231 3.067 20 0 FGADHM C[C@]1(c2ccccc2)CN(c2cc(Cl)ccc2-c2nnn[n-]2)CCO1 ZINC000820633316 607115442 /nfs/dbraw/zinc/11/54/42/607115442.db2.gz AGVRHRMHWNBVMQ-GOSISDBHSA-N -1 3 355.829 3.272 20 0 FGADHM C[C@]1(c2ccccc2)CN(c2cc(Cl)ccc2-c2nn[n-]n2)CCO1 ZINC000820633316 607115444 /nfs/dbraw/zinc/11/54/44/607115444.db2.gz AGVRHRMHWNBVMQ-GOSISDBHSA-N -1 3 355.829 3.272 20 0 FGADHM Fc1cccc(-c2nnc(CNc3ccc(-c4nn[n-]n4)cc3Cl)o2)c1 ZINC000822786476 607125019 /nfs/dbraw/zinc/12/50/19/607125019.db2.gz KWAOUAOWROTKJT-UHFFFAOYSA-N -1 3 371.763 3.321 20 0 FGADHM Clc1cc(-c2nn[n-]n2)ccc1NCc1noc(Cc2ccccc2)n1 ZINC000822563987 607125141 /nfs/dbraw/zinc/12/51/41/607125141.db2.gz SZXBGSKUUXUMIE-UHFFFAOYSA-N -1 3 367.800 3.106 20 0 FGADHM Cc1cc(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c(Cl)cc1F ZINC000822168018 607128993 /nfs/dbraw/zinc/12/89/93/607128993.db2.gz KVKLDFIKAXKWLP-SNVBAGLBSA-N -1 3 359.792 3.459 20 0 FGADHM Cc1cc(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c(Cl)cc1F ZINC000822168018 607128995 /nfs/dbraw/zinc/12/89/95/607128995.db2.gz KVKLDFIKAXKWLP-SNVBAGLBSA-N -1 3 359.792 3.459 20 0 FGADHM c1ccc2c(c1)ncc(-c1nnn[n-]1)c2N[C@@H]1CCOC2(CCCCC2)C1 ZINC000823797872 607131866 /nfs/dbraw/zinc/13/18/66/607131866.db2.gz UGMMGQMDCGSCMA-CQSZACIVSA-N -1 3 364.453 3.131 20 0 FGADHM c1ccc2c(c1)ncc(-c1nn[n-]n1)c2N[C@@H]1CCOC2(CCCCC2)C1 ZINC000823797872 607131867 /nfs/dbraw/zinc/13/18/67/607131867.db2.gz UGMMGQMDCGSCMA-CQSZACIVSA-N -1 3 364.453 3.131 20 0 FGADHM Fc1cc(-c2nnn[n-]2)ccc1OCc1noc(-c2ccc(Cl)cc2)n1 ZINC000822748091 607136690 /nfs/dbraw/zinc/13/66/90/607136690.db2.gz HIZMQJVWUQFPCB-UHFFFAOYSA-N -1 3 372.747 3.288 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1OCc1noc(-c2ccc(Cl)cc2)n1 ZINC000822748091 607136691 /nfs/dbraw/zinc/13/66/91/607136691.db2.gz HIZMQJVWUQFPCB-UHFFFAOYSA-N -1 3 372.747 3.288 20 0 FGADHM C[C@@H](Oc1ccc(-c2nnn[n-]2)cc1F)C(=O)Nc1cccc(Cl)c1 ZINC000820535816 607138005 /nfs/dbraw/zinc/13/80/05/607138005.db2.gz QXXZVHYLHBRUSY-SECBINFHSA-N -1 3 361.764 3.065 20 0 FGADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1F)C(=O)Nc1cccc(Cl)c1 ZINC000820535816 607138006 /nfs/dbraw/zinc/13/80/06/607138006.db2.gz QXXZVHYLHBRUSY-SECBINFHSA-N -1 3 361.764 3.065 20 0 FGADHM CCc1cc(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)oc1CC ZINC000821469613 607145189 /nfs/dbraw/zinc/14/51/89/607145189.db2.gz HFUVTDBUJNPLJA-UHFFFAOYSA-N -1 3 365.437 3.389 20 0 FGADHM CCc1cc(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)oc1CC ZINC000821469613 607145191 /nfs/dbraw/zinc/14/51/91/607145191.db2.gz HFUVTDBUJNPLJA-UHFFFAOYSA-N -1 3 365.437 3.389 20 0 FGADHM CC(=O)Nc1ccc(Cl)c(C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)c1 ZINC000819817414 607150095 /nfs/dbraw/zinc/15/00/95/607150095.db2.gz FKIHDXFFPSSJSV-UHFFFAOYSA-N -1 3 370.800 3.039 20 0 FGADHM CC(=O)Nc1ccc(Cl)c(C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)c1 ZINC000819817414 607150097 /nfs/dbraw/zinc/15/00/97/607150097.db2.gz FKIHDXFFPSSJSV-UHFFFAOYSA-N -1 3 370.800 3.039 20 0 FGADHM Cc1cccc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(C)C)c1F ZINC000822284303 607158029 /nfs/dbraw/zinc/15/80/29/607158029.db2.gz NXXOJBVBFCEGPR-UHFFFAOYSA-N -1 3 355.373 3.354 20 0 FGADHM Cc1cccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(C)C)c1F ZINC000822284303 607158031 /nfs/dbraw/zinc/15/80/31/607158031.db2.gz NXXOJBVBFCEGPR-UHFFFAOYSA-N -1 3 355.373 3.354 20 0 FGADHM CCC[C@H](NC(=O)COc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000821023347 607171236 /nfs/dbraw/zinc/17/12/36/607171236.db2.gz YDFOZLFDENUOBK-INIZCTEOSA-N -1 3 369.400 3.042 20 0 FGADHM CCC[C@H](NC(=O)COc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000821023347 607171237 /nfs/dbraw/zinc/17/12/37/607171237.db2.gz YDFOZLFDENUOBK-INIZCTEOSA-N -1 3 369.400 3.042 20 0 FGADHM Cc1ccccc1CCNC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000822356194 607198413 /nfs/dbraw/zinc/19/84/13/607198413.db2.gz MLOUHVKOKJYLPT-UHFFFAOYSA-N -1 3 356.817 3.193 20 0 FGADHM Cc1ccccc1CCNC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822356194 607198414 /nfs/dbraw/zinc/19/84/14/607198414.db2.gz MLOUHVKOKJYLPT-UHFFFAOYSA-N -1 3 356.817 3.193 20 0 FGADHM COc1ccccc1[C@@H](C)NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821882569 607199422 /nfs/dbraw/zinc/19/94/22/607199422.db2.gz DYKMXMUYMIXGCG-SNVBAGLBSA-N -1 3 372.816 3.411 20 0 FGADHM COc1ccccc1[C@@H](C)NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821882569 607199423 /nfs/dbraw/zinc/19/94/23/607199423.db2.gz DYKMXMUYMIXGCG-SNVBAGLBSA-N -1 3 372.816 3.411 20 0 FGADHM CC(C)[C@H]1CN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)CCS1 ZINC000820044329 607199693 /nfs/dbraw/zinc/19/96/93/607199693.db2.gz FQGBIIZKQIOULK-CYBMUJFWSA-N -1 3 366.878 3.125 20 0 FGADHM CC(C)[C@H]1CN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)CCS1 ZINC000820044329 607199694 /nfs/dbraw/zinc/19/96/94/607199694.db2.gz FQGBIIZKQIOULK-CYBMUJFWSA-N -1 3 366.878 3.125 20 0 FGADHM O=C(c1cc(-c2nnn[n-]2)cs1)N1CCCCC[C@@H]1[C@H]1CCCCC1=O ZINC000823525417 607222684 /nfs/dbraw/zinc/22/26/84/607222684.db2.gz MXISTRXTEKNKAJ-ZIAGYGMSSA-N -1 3 373.482 3.072 20 0 FGADHM O=C(c1cc(-c2nn[n-]n2)cs1)N1CCCCC[C@@H]1[C@H]1CCCCC1=O ZINC000823525417 607222685 /nfs/dbraw/zinc/22/26/85/607222685.db2.gz MXISTRXTEKNKAJ-ZIAGYGMSSA-N -1 3 373.482 3.072 20 0 FGADHM Cc1nc(CSc2nc3c(c(C)c2-c2nnn[n-]2)CCC3)sc1C ZINC000822449696 607223657 /nfs/dbraw/zinc/22/36/57/607223657.db2.gz KNGQCMFOZNHAHT-UHFFFAOYSA-N -1 3 358.496 3.424 20 0 FGADHM Cc1nc(CSc2nc3c(c(C)c2-c2nn[n-]n2)CCC3)sc1C ZINC000822449696 607223658 /nfs/dbraw/zinc/22/36/58/607223658.db2.gz KNGQCMFOZNHAHT-UHFFFAOYSA-N -1 3 358.496 3.424 20 0 FGADHM C[C@@H]1CCC[C@@H](N(C)C(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820696785 607237078 /nfs/dbraw/zinc/23/70/78/607237078.db2.gz CIKNFCJZXWLJHP-UKRRQHHQSA-N -1 3 357.458 3.061 20 0 FGADHM C[C@@H]1CCC[C@@H](N(C)C(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820696785 607237079 /nfs/dbraw/zinc/23/70/79/607237079.db2.gz CIKNFCJZXWLJHP-UKRRQHHQSA-N -1 3 357.458 3.061 20 0 FGADHM C[C@@H](C(=O)Oc1ccc(-c2nnn[n-]2)cc1F)c1ccc(Cl)s1 ZINC000819882596 607246079 /nfs/dbraw/zinc/24/60/79/607246079.db2.gz BWMSJMJHTNDDAP-SSDOTTSWSA-N -1 3 352.778 3.430 20 0 FGADHM C[C@@H](C(=O)Oc1ccc(-c2nn[n-]n2)cc1F)c1ccc(Cl)s1 ZINC000819882596 607246080 /nfs/dbraw/zinc/24/60/80/607246080.db2.gz BWMSJMJHTNDDAP-SSDOTTSWSA-N -1 3 352.778 3.430 20 0 FGADHM CCCOc1ccc(CCC(=O)Oc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000821134461 607246763 /nfs/dbraw/zinc/24/67/63/607246763.db2.gz VYMCZHWENMQTSI-UHFFFAOYSA-N -1 3 370.384 3.333 20 0 FGADHM CCCOc1ccc(CCC(=O)Oc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000821134461 607246764 /nfs/dbraw/zinc/24/67/64/607246764.db2.gz VYMCZHWENMQTSI-UHFFFAOYSA-N -1 3 370.384 3.333 20 0 FGADHM O=C(Cc1c[nH]c2ccc(Cl)cc12)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000823074785 607247394 /nfs/dbraw/zinc/24/73/94/607247394.db2.gz VZCBPPJKQYNYNW-UHFFFAOYSA-N -1 3 371.759 3.289 20 0 FGADHM O=C(Cc1c[nH]c2ccc(Cl)cc12)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000823074785 607247395 /nfs/dbraw/zinc/24/73/95/607247395.db2.gz VZCBPPJKQYNYNW-UHFFFAOYSA-N -1 3 371.759 3.289 20 0 FGADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)[C@H]1C[C@H]1c1cccc(Cl)c1 ZINC000823450387 607249147 /nfs/dbraw/zinc/24/91/47/607249147.db2.gz PPOKQWWILQYQTI-STQMWFEESA-N -1 3 358.760 3.368 20 0 FGADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)[C@H]1C[C@H]1c1cccc(Cl)c1 ZINC000823450387 607249148 /nfs/dbraw/zinc/24/91/48/607249148.db2.gz PPOKQWWILQYQTI-STQMWFEESA-N -1 3 358.760 3.368 20 0 FGADHM COc1cccc(C(C)=CC(=O)Oc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000821860027 607250417 /nfs/dbraw/zinc/25/04/17/607250417.db2.gz WKJKZBOCOSARQM-DHZHZOJOSA-N -1 3 354.341 3.023 20 0 FGADHM COc1cccc(C(C)=CC(=O)Oc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000821860027 607250418 /nfs/dbraw/zinc/25/04/18/607250418.db2.gz WKJKZBOCOSARQM-DHZHZOJOSA-N -1 3 354.341 3.023 20 0 FGADHM Cc1c(NC(=S)NCCSc2ccccc2)cccc1-c1nnn[n-]1 ZINC000822115390 607252022 /nfs/dbraw/zinc/25/20/22/607252022.db2.gz FATHKYSDWPXNGZ-UHFFFAOYSA-N -1 3 370.507 3.254 20 0 FGADHM Cc1c(NC(=S)NCCSc2ccccc2)cccc1-c1nn[n-]n1 ZINC000822115390 607252023 /nfs/dbraw/zinc/25/20/23/607252023.db2.gz FATHKYSDWPXNGZ-UHFFFAOYSA-N -1 3 370.507 3.254 20 0 FGADHM C[C@H](CC(=O)N(C)c1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1F ZINC000824385060 607785302 /nfs/dbraw/zinc/78/53/02/607785302.db2.gz KVNATNDSUBAVGY-LLVKDONJSA-N -1 3 357.364 3.302 20 0 FGADHM C[C@H](CC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1F ZINC000824385060 607785303 /nfs/dbraw/zinc/78/53/03/607785303.db2.gz KVNATNDSUBAVGY-LLVKDONJSA-N -1 3 357.364 3.302 20 0 FGADHM C[C@H]1CCc2c(C(=O)N(C)c3ccccc3-c3nnn[n-]3)csc2C1 ZINC000824967480 607789765 /nfs/dbraw/zinc/78/97/65/607789765.db2.gz KQAWOAAQCIEBMJ-NSHDSACASA-N -1 3 353.451 3.330 20 0 FGADHM C[C@H]1CCc2c(C(=O)N(C)c3ccccc3-c3nn[n-]n3)csc2C1 ZINC000824967480 607789766 /nfs/dbraw/zinc/78/97/66/607789766.db2.gz KQAWOAAQCIEBMJ-NSHDSACASA-N -1 3 353.451 3.330 20 0 FGADHM CC[C@@H](Oc1ccccc1F)C(=O)N(CC)c1ccc(-c2nnn[n-]2)cc1 ZINC000825159029 607797908 /nfs/dbraw/zinc/79/79/08/607797908.db2.gz HOEXOXUGTSZDOF-MRXNPFEDSA-N -1 3 369.400 3.216 20 0 FGADHM CC[C@@H](Oc1ccccc1F)C(=O)N(CC)c1ccc(-c2nn[n-]n2)cc1 ZINC000825159029 607797909 /nfs/dbraw/zinc/79/79/09/607797909.db2.gz HOEXOXUGTSZDOF-MRXNPFEDSA-N -1 3 369.400 3.216 20 0 FGADHM CCN(C(=O)[C@H]1CSc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367075 607799965 /nfs/dbraw/zinc/79/99/65/607799965.db2.gz IXBXKPPQFYMFQB-HNNXBMFYSA-N -1 3 351.435 3.109 20 0 FGADHM CCN(C(=O)[C@H]1CSc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367075 607799966 /nfs/dbraw/zinc/79/99/66/607799966.db2.gz IXBXKPPQFYMFQB-HNNXBMFYSA-N -1 3 351.435 3.109 20 0 FGADHM C[C@H](Cc1ccccc1Cl)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000824457287 607818729 /nfs/dbraw/zinc/81/87/29/607818729.db2.gz JBQJDLYKUJSBTP-LLVKDONJSA-N -1 3 373.819 3.154 20 0 FGADHM C[C@H](Cc1ccccc1Cl)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000824457287 607818730 /nfs/dbraw/zinc/81/87/30/607818730.db2.gz JBQJDLYKUJSBTP-LLVKDONJSA-N -1 3 373.819 3.154 20 0 FGADHM COc1cccc2c1CCCCN2C(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000826218167 607824354 /nfs/dbraw/zinc/82/43/54/607824354.db2.gz RGWJNYCFCKPHLZ-UHFFFAOYSA-N -1 3 363.421 3.167 20 0 FGADHM COc1cccc2c1CCCCN2C(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000826218167 607824355 /nfs/dbraw/zinc/82/43/55/607824355.db2.gz RGWJNYCFCKPHLZ-UHFFFAOYSA-N -1 3 363.421 3.167 20 0 FGADHM O=C(Nc1cccc(-c2ncco2)c1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000826455906 607825825 /nfs/dbraw/zinc/82/58/25/607825825.db2.gz IVFRAFIGQSKTEJ-UHFFFAOYSA-N -1 3 368.303 3.052 20 0 FGADHM O=C(Nc1cccc(-c2ncco2)c1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826455906 607825826 /nfs/dbraw/zinc/82/58/26/607825826.db2.gz IVFRAFIGQSKTEJ-UHFFFAOYSA-N -1 3 368.303 3.052 20 0 FGADHM CC(C)(C)O[C@@H](C(=O)OCc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000824119607 607826644 /nfs/dbraw/zinc/82/66/44/607826644.db2.gz LZJBCJSFTQVKKO-QGZVFWFLSA-N -1 3 366.421 3.466 20 0 FGADHM CC(C)(C)O[C@@H](C(=O)OCc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000824119607 607826645 /nfs/dbraw/zinc/82/66/45/607826645.db2.gz LZJBCJSFTQVKKO-QGZVFWFLSA-N -1 3 366.421 3.466 20 0 FGADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)C[C@H](C)c2c(C)noc2C)s1 ZINC000825694655 607826953 /nfs/dbraw/zinc/82/69/53/607826953.db2.gz YJDDBZBAFVPUML-QMMMGPOBSA-N -1 3 360.443 3.228 20 0 FGADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)C[C@H](C)c2c(C)noc2C)s1 ZINC000825694655 607826954 /nfs/dbraw/zinc/82/69/54/607826954.db2.gz YJDDBZBAFVPUML-QMMMGPOBSA-N -1 3 360.443 3.228 20 0 FGADHM Cc1noc(C)c1[C@H](C)CC(=O)OCc1ccc(-c2nnn[n-]2)cc1C ZINC000826253310 607830802 /nfs/dbraw/zinc/83/08/02/607830802.db2.gz LTKSSUJEFJKRLY-LLVKDONJSA-N -1 3 355.398 3.017 20 0 FGADHM Cc1noc(C)c1[C@H](C)CC(=O)OCc1ccc(-c2nn[n-]n2)cc1C ZINC000826253310 607830803 /nfs/dbraw/zinc/83/08/03/607830803.db2.gz LTKSSUJEFJKRLY-LLVKDONJSA-N -1 3 355.398 3.017 20 0 FGADHM Cc1ccccc1CNC(=O)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000826307416 607833289 /nfs/dbraw/zinc/83/32/89/607833289.db2.gz HLZAHPIDBNOWDL-UHFFFAOYSA-N -1 3 362.220 3.412 20 0 FGADHM Cc1ccccc1CNC(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000826307416 607833290 /nfs/dbraw/zinc/83/32/90/607833290.db2.gz HLZAHPIDBNOWDL-UHFFFAOYSA-N -1 3 362.220 3.412 20 0 FGADHM CCO[C@@H]1C[C@@H](Nc2ccc3cc(-c4nnn[n-]4)ccc3n2)C12CCC2 ZINC000825581673 607841807 /nfs/dbraw/zinc/84/18/07/607841807.db2.gz CXZQQKGFYOYNRC-HZPDHXFCSA-N -1 3 350.426 3.175 20 0 FGADHM CCO[C@@H]1C[C@@H](Nc2ccc3cc(-c4nn[n-]n4)ccc3n2)C12CCC2 ZINC000825581673 607841808 /nfs/dbraw/zinc/84/18/08/607841808.db2.gz CXZQQKGFYOYNRC-HZPDHXFCSA-N -1 3 350.426 3.175 20 0 FGADHM CC(C)CCNC(=O)[C@@H](C)Sc1ccc(-c2nnn[n-]2)cc1Cl ZINC000824249872 607844251 /nfs/dbraw/zinc/84/42/51/607844251.db2.gz WDMKGJIRHUKPJH-SNVBAGLBSA-N -1 3 353.879 3.163 20 0 FGADHM CC(C)CCNC(=O)[C@@H](C)Sc1ccc(-c2nn[n-]n2)cc1Cl ZINC000824249872 607844252 /nfs/dbraw/zinc/84/42/52/607844252.db2.gz WDMKGJIRHUKPJH-SNVBAGLBSA-N -1 3 353.879 3.163 20 0 FGADHM CN(Cn1ccc(-c2ccc(-c3nnn[n-]3)cc2)n1)c1cc(F)ccc1F ZINC000825998798 607846272 /nfs/dbraw/zinc/84/62/72/607846272.db2.gz DGNAVGFFBLVXAO-UHFFFAOYSA-N -1 3 367.363 3.102 20 0 FGADHM CN(Cn1ccc(-c2ccc(-c3nn[n-]n3)cc2)n1)c1cc(F)ccc1F ZINC000825998798 607846273 /nfs/dbraw/zinc/84/62/73/607846273.db2.gz DGNAVGFFBLVXAO-UHFFFAOYSA-N -1 3 367.363 3.102 20 0 FGADHM C[C@H](Nc1cc(-c2nnn[n-]2)c2ccccc2n1)[C@H]1COc2ccccc21 ZINC000824650409 607850046 /nfs/dbraw/zinc/85/00/46/607850046.db2.gz RJUZUAKITADRKH-BLLLJJGKSA-N -1 3 358.405 3.392 20 0 FGADHM C[C@H](Nc1cc(-c2nn[n-]n2)c2ccccc2n1)[C@H]1COc2ccccc21 ZINC000824650409 607850047 /nfs/dbraw/zinc/85/00/47/607850047.db2.gz RJUZUAKITADRKH-BLLLJJGKSA-N -1 3 358.405 3.392 20 0 FGADHM COCC(C)(C)C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000826148028 607886156 /nfs/dbraw/zinc/88/61/56/607886156.db2.gz VRVLWAYRAITOHM-UHFFFAOYSA-N -1 3 367.409 3.270 20 0 FGADHM COCC(C)(C)C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000826148028 607886157 /nfs/dbraw/zinc/88/61/57/607886157.db2.gz VRVLWAYRAITOHM-UHFFFAOYSA-N -1 3 367.409 3.270 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000826185850 607889662 /nfs/dbraw/zinc/88/96/62/607889662.db2.gz WBXXCBITTGKVFG-GZBFAFLISA-N -1 3 355.442 3.420 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000826185850 607889663 /nfs/dbraw/zinc/88/96/63/607889663.db2.gz WBXXCBITTGKVFG-GZBFAFLISA-N -1 3 355.442 3.420 20 0 FGADHM Brc1ccc(-c2nc(Cn3ccc(-c4nnn[n-]4)c3)co2)cc1 ZINC000823826039 607890786 /nfs/dbraw/zinc/89/07/86/607890786.db2.gz AUPNDMFUDVTVRV-UHFFFAOYSA-N -1 3 371.198 3.134 20 0 FGADHM Brc1ccc(-c2nc(Cn3ccc(-c4nn[n-]n4)c3)co2)cc1 ZINC000823826039 607890787 /nfs/dbraw/zinc/89/07/87/607890787.db2.gz AUPNDMFUDVTVRV-UHFFFAOYSA-N -1 3 371.198 3.134 20 0 FGADHM Cc1cc(SC2CCOCC2)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000826272406 607905371 /nfs/dbraw/zinc/90/53/71/607905371.db2.gz HTCWIPRNJTVKCJ-UHFFFAOYSA-N -1 3 366.450 3.247 20 0 FGADHM Cc1cc(SC2CCOCC2)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC000826272406 607905372 /nfs/dbraw/zinc/90/53/72/607905372.db2.gz HTCWIPRNJTVKCJ-UHFFFAOYSA-N -1 3 366.450 3.247 20 0 FGADHM O=C(COC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1)c1cccc(-c2nnn[n-]2)c1 ZINC000826415708 607918293 /nfs/dbraw/zinc/91/82/93/607918293.db2.gz PCKBYDLOSOPBRO-JKIFEVAISA-N -1 3 368.437 3.199 20 0 FGADHM O=C(COC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1)c1cccc(-c2nn[n-]n2)c1 ZINC000826415708 607918294 /nfs/dbraw/zinc/91/82/94/607918294.db2.gz PCKBYDLOSOPBRO-JKIFEVAISA-N -1 3 368.437 3.199 20 0 FGADHM Cc1nc(C(C)C)sc1[C@@H](C)N(C)Cc1ccnc(-c2nnn[n-]2)c1 ZINC000826323444 607926644 /nfs/dbraw/zinc/92/66/44/607926644.db2.gz DXMOHSNBFGEBKE-GFCCVEGCSA-N -1 3 357.487 3.343 20 0 FGADHM CS[C@H](C)CC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000826224869 607932829 /nfs/dbraw/zinc/93/28/29/607932829.db2.gz NTZCJHSBTHMIGT-LLVKDONJSA-N -1 3 370.438 3.134 20 0 FGADHM Cc1cc2[nH]c(C(=O)N3CCc4ccc(-c5nnn[n-]5)cc43)cc2c(C)c1 ZINC000826263922 607954184 /nfs/dbraw/zinc/95/41/84/607954184.db2.gz WDASKUXSWKRNMO-UHFFFAOYSA-N -1 3 358.405 3.168 20 0 FGADHM Cc1cc2[nH]c(C(=O)N3CCc4ccc(-c5nn[n-]n5)cc43)cc2c(C)c1 ZINC000826263922 607954185 /nfs/dbraw/zinc/95/41/85/607954185.db2.gz WDASKUXSWKRNMO-UHFFFAOYSA-N -1 3 358.405 3.168 20 0 FGADHM CCc1c(C)sc(NC(=O)C=Cc2ccnc(Cl)c2)c1-c1nnn[n-]1 ZINC000825687562 607962458 /nfs/dbraw/zinc/96/24/58/607962458.db2.gz JGRCAHVUQAUMGI-SNAWJCMRSA-N -1 3 374.857 3.499 20 0 FGADHM CCc1c(C)sc(NC(=O)C=Cc2ccnc(Cl)c2)c1-c1nn[n-]n1 ZINC000825687562 607962459 /nfs/dbraw/zinc/96/24/59/607962459.db2.gz JGRCAHVUQAUMGI-SNAWJCMRSA-N -1 3 374.857 3.499 20 0 FGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1nc(Cl)ccc1F ZINC000824293178 607979317 /nfs/dbraw/zinc/97/93/17/607979317.db2.gz HLEJYKNUXGHQBX-UHFFFAOYSA-N -1 3 374.807 3.105 20 0 FGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1nc(Cl)ccc1F ZINC000824293178 607979318 /nfs/dbraw/zinc/97/93/18/607979318.db2.gz HLEJYKNUXGHQBX-UHFFFAOYSA-N -1 3 374.807 3.105 20 0 FGADHM Cc1cc(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)ncn1 ZINC000826260222 607981870 /nfs/dbraw/zinc/98/18/70/607981870.db2.gz BNTCTNWPPKRKLC-UHFFFAOYSA-N -1 3 373.376 3.010 20 0 FGADHM Cc1cc(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)ncn1 ZINC000826260222 607981871 /nfs/dbraw/zinc/98/18/71/607981871.db2.gz BNTCTNWPPKRKLC-UHFFFAOYSA-N -1 3 373.376 3.010 20 0 FGADHM c1ccc2c(c1)[nH]c1c2CCN(CCCOc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826524444 607992532 /nfs/dbraw/zinc/99/25/32/607992532.db2.gz VUFMVYNZOZJJDP-UHFFFAOYSA-N -1 3 374.448 3.175 20 0 FGADHM Cc1cc(Cl)cc(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)c1O ZINC000826267830 607999590 /nfs/dbraw/zinc/99/95/90/607999590.db2.gz YJJOVNYVMGLZER-SREVYHEPSA-N -1 3 355.785 3.186 20 0 FGADHM COc1cc(C(=O)Nc2sc(C)c(C)c2-c2nnn[n-]2)ccc1Cl ZINC000826177466 608000193 /nfs/dbraw/zinc/00/01/93/608000193.db2.gz JPRCQGKKHMKBFQ-UHFFFAOYSA-N -1 3 363.830 3.459 20 0 FGADHM COc1cc(C(=O)Nc2sc(C)c(C)c2-c2nn[n-]n2)ccc1Cl ZINC000826177466 608000194 /nfs/dbraw/zinc/00/01/94/608000194.db2.gz JPRCQGKKHMKBFQ-UHFFFAOYSA-N -1 3 363.830 3.459 20 0 FGADHM CCc1c(C)sc(NC(=O)C=Cc2ccc(Cl)nc2)c1-c1nnn[n-]1 ZINC000825688231 608003836 /nfs/dbraw/zinc/00/38/36/608003836.db2.gz UKFXDNHRNLTYCL-ALCCZGGFSA-N -1 3 374.857 3.499 20 0 FGADHM CCc1c(C)sc(NC(=O)C=Cc2ccc(Cl)nc2)c1-c1nn[n-]n1 ZINC000825688231 608003837 /nfs/dbraw/zinc/00/38/37/608003837.db2.gz UKFXDNHRNLTYCL-ALCCZGGFSA-N -1 3 374.857 3.499 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cn1)c1ccccc1CCC(F)(F)F ZINC000826452806 608004150 /nfs/dbraw/zinc/00/41/50/608004150.db2.gz JNAOCSVGODHTJN-UHFFFAOYSA-N -1 3 362.315 3.009 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cn1)c1ccccc1CCC(F)(F)F ZINC000826452806 608004151 /nfs/dbraw/zinc/00/41/51/608004151.db2.gz JNAOCSVGODHTJN-UHFFFAOYSA-N -1 3 362.315 3.009 20 0 FGADHM COc1ccccc1[C@H](Nc1ccc(-c2nn[n-]n2)cc1)c1ccccn1 ZINC000826218868 608017235 /nfs/dbraw/zinc/01/72/35/608017235.db2.gz MYGIIATYGDPMKJ-IBGZPJMESA-N -1 3 358.405 3.472 20 0 FGADHM CC[C@H](C)n1ncc(C(=O)OCc2ccccc2-c2nnn[n-]2)c1C1CC1 ZINC000825082635 608029860 /nfs/dbraw/zinc/02/98/60/608029860.db2.gz UCYNCDAKJPLZKT-LBPRGKRZSA-N -1 3 366.425 3.269 20 0 FGADHM CC[C@H](C)n1ncc(C(=O)OCc2ccccc2-c2nn[n-]n2)c1C1CC1 ZINC000825082635 608029861 /nfs/dbraw/zinc/02/98/61/608029861.db2.gz UCYNCDAKJPLZKT-LBPRGKRZSA-N -1 3 366.425 3.269 20 0 FGADHM CC(C)Cc1ccc([C@H](C)C(=O)NCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824280852 608052913 /nfs/dbraw/zinc/05/29/13/608052913.db2.gz WVLKJJQGKPHBBO-HNNXBMFYSA-N -1 3 363.465 3.485 20 0 FGADHM CC(C)Cc1ccc([C@H](C)C(=O)NCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824280852 608052914 /nfs/dbraw/zinc/05/29/14/608052914.db2.gz WVLKJJQGKPHBBO-HNNXBMFYSA-N -1 3 363.465 3.485 20 0 FGADHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2NC1CCC(F)(F)CC1 ZINC000826268342 608053222 /nfs/dbraw/zinc/05/32/22/608053222.db2.gz SYABXSVMRDSCFI-UHFFFAOYSA-N -1 3 362.359 3.274 20 0 FGADHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2NC1CCC(F)(F)CC1 ZINC000826268342 608053223 /nfs/dbraw/zinc/05/32/23/608053223.db2.gz SYABXSVMRDSCFI-UHFFFAOYSA-N -1 3 362.359 3.274 20 0 FGADHM O=C(OCCF)c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000826463362 608059815 /nfs/dbraw/zinc/05/98/15/608059815.db2.gz CDRBXCMZAMLMIU-UHFFFAOYSA-N -1 3 362.748 3.439 20 0 FGADHM O=C(OCCF)c1ccc(Oc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000826463362 608059816 /nfs/dbraw/zinc/05/98/16/608059816.db2.gz CDRBXCMZAMLMIU-UHFFFAOYSA-N -1 3 362.748 3.439 20 0 FGADHM CCC(CC)[C@H](C)C(=O)NC1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000825096778 608072092 /nfs/dbraw/zinc/07/20/92/608072092.db2.gz QXNZDRGCDIIMCD-AWEZNQCLSA-N -1 3 370.501 3.024 20 0 FGADHM CCC(CC)[C@H](C)C(=O)NC1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000825096778 608072093 /nfs/dbraw/zinc/07/20/93/608072093.db2.gz QXNZDRGCDIIMCD-AWEZNQCLSA-N -1 3 370.501 3.024 20 0 FGADHM CC1(CC(=O)N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)CCCCC1 ZINC000824817630 608084547 /nfs/dbraw/zinc/08/45/47/608084547.db2.gz PVFJGBFANFIDGF-KRWDZBQOSA-N -1 3 369.469 3.127 20 0 FGADHM CC1(CC(=O)N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)CCCCC1 ZINC000824817630 608084548 /nfs/dbraw/zinc/08/45/48/608084548.db2.gz PVFJGBFANFIDGF-KRWDZBQOSA-N -1 3 369.469 3.127 20 0 FGADHM CCCC(CCC)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OCCOC ZINC000825241996 608137994 /nfs/dbraw/zinc/13/79/94/608137994.db2.gz GMYXQYVSYHZADQ-UHFFFAOYSA-N -1 3 361.446 3.047 20 0 FGADHM CCCC(CCC)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OCCOC ZINC000825241996 608137995 /nfs/dbraw/zinc/13/79/95/608137995.db2.gz GMYXQYVSYHZADQ-UHFFFAOYSA-N -1 3 361.446 3.047 20 0 FGADHM C[C@H]1OCC[C@H]1C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825019793 608158294 /nfs/dbraw/zinc/15/82/94/608158294.db2.gz GVEJYNMZHIPXJH-SJKOYZFVSA-N -1 3 365.393 3.023 20 0 FGADHM C[C@H]1OCC[C@H]1C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825019793 608158296 /nfs/dbraw/zinc/15/82/96/608158296.db2.gz GVEJYNMZHIPXJH-SJKOYZFVSA-N -1 3 365.393 3.023 20 0 FGADHM C[C@@H](OC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1)C1CC1 ZINC000736159876 608166039 /nfs/dbraw/zinc/16/60/39/608166039.db2.gz YNKJJZMLRDTGRL-LLVKDONJSA-N -1 3 351.366 3.009 20 0 FGADHM C[C@@H](OC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1)C1CC1 ZINC000736159876 608166040 /nfs/dbraw/zinc/16/60/40/608166040.db2.gz YNKJJZMLRDTGRL-LLVKDONJSA-N -1 3 351.366 3.009 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cccn1C(C)C ZINC000825333063 608166348 /nfs/dbraw/zinc/16/63/48/608166348.db2.gz PZKUICTYAICJBI-UHFFFAOYSA-N -1 3 353.430 3.323 20 0 FGADHM COc1ccc(C(C)(C)C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826188169 608182310 /nfs/dbraw/zinc/18/23/10/608182310.db2.gz PGRHMTNDBVDISI-ZDUSSCGKSA-N -1 3 366.421 3.457 20 0 FGADHM COc1ccc(C(C)(C)C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826188169 608182311 /nfs/dbraw/zinc/18/23/11/608182311.db2.gz PGRHMTNDBVDISI-ZDUSSCGKSA-N -1 3 366.421 3.457 20 0 FGADHM C[C@@H]1CCC[C@@H](C)N1C(=O)CSc1cccc(Cl)c1-c1nnn[n-]1 ZINC000824927473 608205866 /nfs/dbraw/zinc/20/58/66/608205866.db2.gz OUNTVELGJDLDTL-GHMZBOCLSA-N -1 3 365.890 3.402 20 0 FGADHM C[C@@H]1CCC[C@@H](C)N1C(=O)CSc1cccc(Cl)c1-c1nn[n-]n1 ZINC000824927473 608205868 /nfs/dbraw/zinc/20/58/68/608205868.db2.gz OUNTVELGJDLDTL-GHMZBOCLSA-N -1 3 365.890 3.402 20 0 FGADHM Cc1ccccc1CNC(=O)CSc1cccc(Cl)c1-c1nnn[n-]1 ZINC000826307852 608207783 /nfs/dbraw/zinc/20/77/83/608207783.db2.gz YXRAMGUEXPKBLQ-UHFFFAOYSA-N -1 3 373.869 3.237 20 0 FGADHM Cc1ccccc1CNC(=O)CSc1cccc(Cl)c1-c1nn[n-]n1 ZINC000826307852 608207785 /nfs/dbraw/zinc/20/77/85/608207785.db2.gz YXRAMGUEXPKBLQ-UHFFFAOYSA-N -1 3 373.869 3.237 20 0 FGADHM CC(C)Oc1ccc(CNc2ccc3cc(-c4nnn[n-]4)ccc3n2)cn1 ZINC000824324796 608223236 /nfs/dbraw/zinc/22/32/36/608223236.db2.gz VSVUJNCACTUVIK-UHFFFAOYSA-N -1 3 361.409 3.209 20 0 FGADHM CC(C)Oc1ccc(CNc2ccc3cc(-c4nn[n-]n4)ccc3n2)cn1 ZINC000824324796 608223237 /nfs/dbraw/zinc/22/32/37/608223237.db2.gz VSVUJNCACTUVIK-UHFFFAOYSA-N -1 3 361.409 3.209 20 0 FGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C=C1CCSCC1 ZINC000824293568 608224585 /nfs/dbraw/zinc/22/45/85/608224585.db2.gz RXXWGMOIMJDRFP-UHFFFAOYSA-N -1 3 357.483 3.057 20 0 FGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C=C1CCSCC1 ZINC000824293568 608224587 /nfs/dbraw/zinc/22/45/87/608224587.db2.gz RXXWGMOIMJDRFP-UHFFFAOYSA-N -1 3 357.483 3.057 20 0 FGADHM CCc1nc(CN(C)c2ccc3cc(-c4nnn[n-]4)ccc3n2)cs1 ZINC000825746171 608225009 /nfs/dbraw/zinc/22/50/09/608225009.db2.gz SKKCSAZNLPHHME-UHFFFAOYSA-N -1 3 351.439 3.070 20 0 FGADHM CCc1nc(CN(C)c2ccc3cc(-c4nn[n-]n4)ccc3n2)cs1 ZINC000825746171 608225011 /nfs/dbraw/zinc/22/50/11/608225011.db2.gz SKKCSAZNLPHHME-UHFFFAOYSA-N -1 3 351.439 3.070 20 0 FGADHM Cc1cc(C)n([C@@H]2CCCN(c3ccc4cc(-c5nnn[n-]5)ccc4n3)C2)n1 ZINC000826265160 608227093 /nfs/dbraw/zinc/22/70/93/608227093.db2.gz NXYWSFOGUQVCFD-QGZVFWFLSA-N -1 3 374.452 3.070 20 0 FGADHM Cc1cc(C)n([C@@H]2CCCN(c3ccc4cc(-c5nn[n-]n5)ccc4n3)C2)n1 ZINC000826265160 608227095 /nfs/dbraw/zinc/22/70/95/608227095.db2.gz NXYWSFOGUQVCFD-QGZVFWFLSA-N -1 3 374.452 3.070 20 0 FGADHM c1cc2nc(N3CCC(C4CCOCC4)CC3)ccc2cc1-c1nnn[n-]1 ZINC000826518536 608235520 /nfs/dbraw/zinc/23/55/20/608235520.db2.gz QSWKIGSAMNHXQO-UHFFFAOYSA-N -1 3 364.453 3.058 20 0 FGADHM c1cc2nc(N3CCC(C4CCOCC4)CC3)ccc2cc1-c1nn[n-]n1 ZINC000826518536 608235522 /nfs/dbraw/zinc/23/55/22/608235522.db2.gz QSWKIGSAMNHXQO-UHFFFAOYSA-N -1 3 364.453 3.058 20 0 FGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)c1ccc(Cl)c(F)c1 ZINC000824148269 608270444 /nfs/dbraw/zinc/27/04/44/608270444.db2.gz QNQAIXFPNZPDLK-UHFFFAOYSA-N -1 3 362.796 3.468 20 0 FGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)c1ccc(Cl)c(F)c1 ZINC000824148269 608270446 /nfs/dbraw/zinc/27/04/46/608270446.db2.gz QNQAIXFPNZPDLK-UHFFFAOYSA-N -1 3 362.796 3.468 20 0 FGADHM COc1cc(C)c([C@H](C)Nc2nc(C)ccc2-c2nnn[n-]2)cc1OC ZINC000826178126 608274375 /nfs/dbraw/zinc/27/43/75/608274375.db2.gz LCIKEHGAZRXXBD-LBPRGKRZSA-N -1 3 354.414 3.069 20 0 FGADHM COc1cc(C)c([C@H](C)Nc2nc(C)ccc2-c2nn[n-]n2)cc1OC ZINC000826178126 608274376 /nfs/dbraw/zinc/27/43/76/608274376.db2.gz LCIKEHGAZRXXBD-LBPRGKRZSA-N -1 3 354.414 3.069 20 0 FGADHM Cn1c2cccc(Br)c2nc1-c1cccc(-c2nnn[n-]2)c1 ZINC000826354808 608288298 /nfs/dbraw/zinc/28/82/98/608288298.db2.gz VZODTTSFTGJBQY-UHFFFAOYSA-N -1 3 355.199 3.183 20 0 FGADHM Cn1c2cccc(Br)c2nc1-c1cccc(-c2nn[n-]n2)c1 ZINC000826354808 608288299 /nfs/dbraw/zinc/28/82/99/608288299.db2.gz VZODTTSFTGJBQY-UHFFFAOYSA-N -1 3 355.199 3.183 20 0 FGADHM Cc1scc(C(=O)NCCSCc2ccccc2-c2nnn[n-]2)c1C ZINC000826350014 608290417 /nfs/dbraw/zinc/29/04/17/608290417.db2.gz DRNHJXJRCNRTKO-UHFFFAOYSA-N -1 3 373.507 3.208 20 0 FGADHM Cc1scc(C(=O)NCCSCc2ccccc2-c2nn[n-]n2)c1C ZINC000826350014 608290419 /nfs/dbraw/zinc/29/04/19/608290419.db2.gz DRNHJXJRCNRTKO-UHFFFAOYSA-N -1 3 373.507 3.208 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)c(NCCc2c[nH]c3ccc(Cl)cc23)n1 ZINC000826276593 608291587 /nfs/dbraw/zinc/29/15/87/608291587.db2.gz NADUAGBXWBNEOX-UHFFFAOYSA-N -1 3 353.817 3.359 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)c(NCCc2c[nH]c3ccc(Cl)cc23)n1 ZINC000826276593 608291589 /nfs/dbraw/zinc/29/15/89/608291589.db2.gz NADUAGBXWBNEOX-UHFFFAOYSA-N -1 3 353.817 3.359 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)c(NCCc2ccccc2OC(F)(F)F)n1 ZINC000826276642 608295668 /nfs/dbraw/zinc/29/56/68/608295668.db2.gz PIMNSCFPYCDOMX-UHFFFAOYSA-N -1 3 364.331 3.123 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)c(NCCc2ccccc2OC(F)(F)F)n1 ZINC000826276642 608295670 /nfs/dbraw/zinc/29/56/70/608295670.db2.gz PIMNSCFPYCDOMX-UHFFFAOYSA-N -1 3 364.331 3.123 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)c(NCCc2csc(-c3ccccc3)n2)n1 ZINC000826276658 608296020 /nfs/dbraw/zinc/29/60/20/608296020.db2.gz QIMLYICKPXUENH-UHFFFAOYSA-N -1 3 363.450 3.348 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)c(NCCc2csc(-c3ccccc3)n2)n1 ZINC000826276658 608296022 /nfs/dbraw/zinc/29/60/22/608296022.db2.gz QIMLYICKPXUENH-UHFFFAOYSA-N -1 3 363.450 3.348 20 0 FGADHM C[C@@H](NC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1)c1cccc(F)c1F ZINC000824489428 608314290 /nfs/dbraw/zinc/31/42/90/608314290.db2.gz KQEIJOCMMWCKQW-LLVKDONJSA-N -1 3 372.379 3.048 20 0 FGADHM C[C@@H](NC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1)c1cccc(F)c1F ZINC000824489428 608314292 /nfs/dbraw/zinc/31/42/92/608314292.db2.gz KQEIJOCMMWCKQW-LLVKDONJSA-N -1 3 372.379 3.048 20 0 FGADHM CC1(C)Cc2ccc(Cl)cc2[C@H]1OC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000824811730 608316534 /nfs/dbraw/zinc/31/65/34/608316534.db2.gz AOXYVSDDAOINER-OAHLLOKOSA-N -1 3 369.812 3.396 20 0 FGADHM CC1(C)Cc2ccc(Cl)cc2[C@H]1OC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000824811730 608316536 /nfs/dbraw/zinc/31/65/36/608316536.db2.gz AOXYVSDDAOINER-OAHLLOKOSA-N -1 3 369.812 3.396 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1CSCCCOCC(F)(F)F ZINC000826173387 608322287 /nfs/dbraw/zinc/32/22/87/608322287.db2.gz BIMZAKQSXOFLGS-UHFFFAOYSA-N -1 3 362.377 3.078 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1CSCCCOCC(F)(F)F ZINC000826173387 608322288 /nfs/dbraw/zinc/32/22/88/608322288.db2.gz BIMZAKQSXOFLGS-UHFFFAOYSA-N -1 3 362.377 3.078 20 0 FGADHM CSC[C@@H](C)C(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000826227090 608329614 /nfs/dbraw/zinc/32/96/14/608329614.db2.gz LNOAZCUZFNEXAV-CYBMUJFWSA-N -1 3 367.478 3.149 20 0 FGADHM CSC[C@@H](C)C(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000826227090 608329616 /nfs/dbraw/zinc/32/96/16/608329616.db2.gz LNOAZCUZFNEXAV-CYBMUJFWSA-N -1 3 367.478 3.149 20 0 FGADHM O=C(Nc1ccc(COc2ccccc2)cc1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826453195 608338661 /nfs/dbraw/zinc/33/86/61/608338661.db2.gz ADIZRGUIFCDDLT-UHFFFAOYSA-N -1 3 360.377 3.026 20 0 FGADHM O=C(Nc1ccc(COc2ccccc2)cc1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826453195 608338664 /nfs/dbraw/zinc/33/86/64/608338664.db2.gz ADIZRGUIFCDDLT-UHFFFAOYSA-N -1 3 360.377 3.026 20 0 FGADHM CCN(C(=O)c1cccc(C(C)=O)c1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825385217 608345543 /nfs/dbraw/zinc/34/55/43/608345543.db2.gz AAHZLMAVFGZWLL-UHFFFAOYSA-N -1 3 369.812 3.389 20 0 FGADHM CCN(C(=O)c1cccc(C(C)=O)c1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825385217 608345545 /nfs/dbraw/zinc/34/55/45/608345545.db2.gz AAHZLMAVFGZWLL-UHFFFAOYSA-N -1 3 369.812 3.389 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)c1ccccc1OC(C)C ZINC000826172762 608351418 /nfs/dbraw/zinc/35/14/18/608351418.db2.gz WEFWPSXBJLFZMV-UHFFFAOYSA-N -1 3 368.393 3.020 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)c1ccccc1OC(C)C ZINC000826172762 608351421 /nfs/dbraw/zinc/35/14/21/608351421.db2.gz WEFWPSXBJLFZMV-UHFFFAOYSA-N -1 3 368.393 3.020 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)c1ccc(C(F)F)cc1 ZINC000826172375 608351594 /nfs/dbraw/zinc/35/15/94/608351594.db2.gz BROAOBWGHNBQGX-UHFFFAOYSA-N -1 3 360.320 3.170 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)c1ccc(C(F)F)cc1 ZINC000826172375 608351596 /nfs/dbraw/zinc/35/15/96/608351596.db2.gz BROAOBWGHNBQGX-UHFFFAOYSA-N -1 3 360.320 3.170 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1CN1CCc2cccc(F)c2[C@H]1C ZINC000826170060 608365290 /nfs/dbraw/zinc/36/52/90/608365290.db2.gz NMKBTJOFABYWOS-GFCCVEGCSA-N -1 3 353.401 3.134 20 0 FGADHM CC(C)n1cnnc1[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000824377593 608378689 /nfs/dbraw/zinc/37/86/89/608378689.db2.gz IBLDQQNLNSCOOH-GFCCVEGCSA-N -1 3 372.864 3.077 20 0 FGADHM CC(C)n1cnnc1[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000824377593 608378691 /nfs/dbraw/zinc/37/86/91/608378691.db2.gz IBLDQQNLNSCOOH-GFCCVEGCSA-N -1 3 372.864 3.077 20 0 FGADHM CSc1cc(C(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)ccc1F ZINC000826230127 608381260 /nfs/dbraw/zinc/38/12/60/608381260.db2.gz FNSDQHMMSBCUIT-UHFFFAOYSA-N -1 3 362.361 3.224 20 0 FGADHM CSc1cc(C(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)ccc1F ZINC000826230127 608381262 /nfs/dbraw/zinc/38/12/62/608381262.db2.gz FNSDQHMMSBCUIT-UHFFFAOYSA-N -1 3 362.361 3.224 20 0 FGADHM Fc1c(CN2CC[C@H](Oc3ccccc3Cl)C2)cccc1-c1nnn[n-]1 ZINC000826370709 608414293 /nfs/dbraw/zinc/41/42/93/608414293.db2.gz FBEBHJKLSNCAJE-ZDUSSCGKSA-N -1 3 373.819 3.313 20 0 FGADHM Fc1c(CN2CC[C@H](Oc3ccccc3Cl)C2)cccc1-c1nn[n-]n1 ZINC000826370709 608414294 /nfs/dbraw/zinc/41/42/94/608414294.db2.gz FBEBHJKLSNCAJE-ZDUSSCGKSA-N -1 3 373.819 3.313 20 0 FGADHM CC[C@@H]1CCC[C@@H]1NC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000825193054 608421447 /nfs/dbraw/zinc/42/14/47/608421447.db2.gz JVFKIPKXYHFPOF-KDOFPFPSSA-N -1 3 366.469 3.244 20 0 FGADHM CC[C@@H]1CCC[C@@H]1NC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825193054 608421448 /nfs/dbraw/zinc/42/14/48/608421448.db2.gz JVFKIPKXYHFPOF-KDOFPFPSSA-N -1 3 366.469 3.244 20 0 FGADHM Cc1ccccc1[C@@H](C)NCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000826306441 608424027 /nfs/dbraw/zinc/42/40/27/608424027.db2.gz YTOMJPGERODBEZ-CYBMUJFWSA-N -1 3 361.409 3.076 20 0 FGADHM Cc1ccccc1[C@@H](C)NCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000826306441 608424029 /nfs/dbraw/zinc/42/40/29/608424029.db2.gz YTOMJPGERODBEZ-CYBMUJFWSA-N -1 3 361.409 3.076 20 0 FGADHM CSc1cccc(NC(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)c1C ZINC000826230984 608432433 /nfs/dbraw/zinc/43/24/33/608432433.db2.gz RKUWOKGMERROAK-LBPRGKRZSA-N -1 3 369.450 3.303 20 0 FGADHM CSc1cccc(NC(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)c1C ZINC000826230984 608432434 /nfs/dbraw/zinc/43/24/34/608432434.db2.gz RKUWOKGMERROAK-LBPRGKRZSA-N -1 3 369.450 3.303 20 0 FGADHM CC(C)(C)c1ncc(C(=O)OCc2cccc(-c3nnn[n-]3)c2F)s1 ZINC000824141926 608443927 /nfs/dbraw/zinc/44/39/27/608443927.db2.gz OMHMFPJYVLQZTJ-UHFFFAOYSA-N -1 3 361.402 3.117 20 0 FGADHM CC(C)(C)c1ncc(C(=O)OCc2cccc(-c3nn[n-]n3)c2F)s1 ZINC000824141926 608443929 /nfs/dbraw/zinc/44/39/29/608443929.db2.gz OMHMFPJYVLQZTJ-UHFFFAOYSA-N -1 3 361.402 3.117 20 0 FGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)c1ccccc1OCC1CC1 ZINC000826466712 608447246 /nfs/dbraw/zinc/44/72/46/608447246.db2.gz PYQWFKYBVZHUHE-UHFFFAOYSA-N -1 3 368.368 3.152 20 0 FGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)c1ccccc1OCC1CC1 ZINC000826466712 608447248 /nfs/dbraw/zinc/44/72/48/608447248.db2.gz PYQWFKYBVZHUHE-UHFFFAOYSA-N -1 3 368.368 3.152 20 0 FGADHM COc1ccc(Br)c(NCc2ccc(-c3nnn[n-]3)s2)c1 ZINC000826186649 608451004 /nfs/dbraw/zinc/45/10/04/608451004.db2.gz FNQQFYYFRBVJDS-UHFFFAOYSA-N -1 3 366.244 3.311 20 0 FGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)c1ccc(Cl)c(F)c1 ZINC000826466752 608455436 /nfs/dbraw/zinc/45/54/36/608455436.db2.gz RQFMKKBEPRMKOL-UHFFFAOYSA-N -1 3 350.712 3.155 20 0 FGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)c1ccc(Cl)c(F)c1 ZINC000826466752 608455438 /nfs/dbraw/zinc/45/54/38/608455438.db2.gz RQFMKKBEPRMKOL-UHFFFAOYSA-N -1 3 350.712 3.155 20 0 FGADHM Clc1cccc(CN2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)n1 ZINC000826353210 608464871 /nfs/dbraw/zinc/46/48/71/608464871.db2.gz GICSBKMXJIFOTR-UHFFFAOYSA-N -1 3 352.829 3.204 20 0 FGADHM C[C@H](NCc1noc(C2CCCCC2)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824634292 608467044 /nfs/dbraw/zinc/46/70/44/608467044.db2.gz VGGJECCDAGKXAS-LBPRGKRZSA-N -1 3 353.430 3.148 20 0 FGADHM C[C@H](NCc1noc(C2CCCCC2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824634292 608467045 /nfs/dbraw/zinc/46/70/45/608467045.db2.gz VGGJECCDAGKXAS-LBPRGKRZSA-N -1 3 353.430 3.148 20 0 FGADHM C[C@@H](C(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1)C1CCCC1 ZINC000824040430 608481126 /nfs/dbraw/zinc/48/11/26/608481126.db2.gz PQGMEMBDNRVFCA-CQSZACIVSA-N -1 3 351.454 3.309 20 0 FGADHM C[C@@H](C(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1)C1CCCC1 ZINC000824040430 608481128 /nfs/dbraw/zinc/48/11/28/608481128.db2.gz PQGMEMBDNRVFCA-CQSZACIVSA-N -1 3 351.454 3.309 20 0 FGADHM CN(Cc1cc(-c2nnn[n-]2)cs1)Cc1ccccc1Br ZINC000825954090 608498273 /nfs/dbraw/zinc/49/82/73/608498273.db2.gz VHRVDTNJILCMFF-UHFFFAOYSA-N -1 3 364.272 3.323 20 0 FGADHM CN(Cc1cc(-c2nn[n-]n2)cs1)Cc1ccccc1Br ZINC000825954090 608498274 /nfs/dbraw/zinc/49/82/74/608498274.db2.gz VHRVDTNJILCMFF-UHFFFAOYSA-N -1 3 364.272 3.323 20 0 FGADHM CCc1ccnc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c1 ZINC000825728587 608545716 /nfs/dbraw/zinc/54/57/16/608545716.db2.gz RCXBFKVBVVGYDU-UHFFFAOYSA-N -1 3 362.315 3.095 20 0 FGADHM CCc1ccnc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c1 ZINC000825728587 608545718 /nfs/dbraw/zinc/54/57/18/608545718.db2.gz RCXBFKVBVVGYDU-UHFFFAOYSA-N -1 3 362.315 3.095 20 0 FGADHM Fc1ccc(COC2CCN(c3ccc(F)cc3-c3nnn[n-]3)CC2)cc1 ZINC000826374904 608560171 /nfs/dbraw/zinc/56/01/71/608560171.db2.gz QYYWEONMUXUXRD-UHFFFAOYSA-N -1 3 371.391 3.331 20 0 FGADHM Fc1ccc(COC2CCN(c3ccc(F)cc3-c3nn[n-]n3)CC2)cc1 ZINC000826374904 608560173 /nfs/dbraw/zinc/56/01/73/608560173.db2.gz QYYWEONMUXUXRD-UHFFFAOYSA-N -1 3 371.391 3.331 20 0 FGADHM Fc1ccc([C@H](CC(F)(F)F)NCc2ccc(-c3nn[n-]n3)o2)cc1 ZINC000826373216 608569176 /nfs/dbraw/zinc/56/91/76/608569176.db2.gz DNAVWGYDGVMXNK-LBPRGKRZSA-N -1 3 355.295 3.382 20 0 FGADHM O=C(Nc1ccc(OC(F)F)cc1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826454895 608573987 /nfs/dbraw/zinc/57/39/87/608573987.db2.gz PUMHLRFCGBUTFF-UHFFFAOYSA-N -1 3 365.727 3.374 20 0 FGADHM O=C(Nc1ccc(OC(F)F)cc1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826454895 608573988 /nfs/dbraw/zinc/57/39/88/608573988.db2.gz PUMHLRFCGBUTFF-UHFFFAOYSA-N -1 3 365.727 3.374 20 0 FGADHM CC1(C)CC[C@H](NC(=O)c2c(Cl)cc(-c3nnn[n-]3)cc2Cl)C1 ZINC000824804068 608638436 /nfs/dbraw/zinc/63/84/36/608638436.db2.gz ZRCPWHBAUKMMJR-VIFPVBQESA-N -1 3 354.241 3.482 20 0 FGADHM CC1(C)CC[C@H](NC(=O)c2c(Cl)cc(-c3nn[n-]n3)cc2Cl)C1 ZINC000824804068 608638438 /nfs/dbraw/zinc/63/84/38/608638438.db2.gz ZRCPWHBAUKMMJR-VIFPVBQESA-N -1 3 354.241 3.482 20 0 FGADHM Fc1ccc(OCc2cccc(-c3nnn[n-]3)c2F)c(Br)c1 ZINC000826376230 608670049 /nfs/dbraw/zinc/67/00/49/608670049.db2.gz UIKUNVVXHBOBDF-UHFFFAOYSA-N -1 3 367.153 3.486 20 0 FGADHM Fc1ccc(OCc2cccc(-c3nn[n-]n3)c2F)c(Br)c1 ZINC000826376230 608670051 /nfs/dbraw/zinc/67/00/51/608670051.db2.gz UIKUNVVXHBOBDF-UHFFFAOYSA-N -1 3 367.153 3.486 20 0 FGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)Oc1c(F)cccc1Cl ZINC000826421210 608673145 /nfs/dbraw/zinc/67/31/45/608673145.db2.gz WWBQUXODHPTWTJ-UHFFFAOYSA-N -1 3 364.789 3.357 20 0 FGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)Oc1c(F)cccc1Cl ZINC000826421210 608673146 /nfs/dbraw/zinc/67/31/46/608673146.db2.gz WWBQUXODHPTWTJ-UHFFFAOYSA-N -1 3 364.789 3.357 20 0 FGADHM Cc1cc(C)n(-c2ccc([C@@H](C)Nc3cnccc3-c3nnn[n-]3)cc2)n1 ZINC000826265236 608792122 /nfs/dbraw/zinc/79/21/22/608792122.db2.gz QSNNBAAPYSSOEL-CQSZACIVSA-N -1 3 360.425 3.237 20 0 FGADHM Cc1cc(C)n(-c2ccc([C@@H](C)Nc3cnccc3-c3nn[n-]n3)cc2)n1 ZINC000826265236 608792126 /nfs/dbraw/zinc/79/21/26/608792126.db2.gz QSNNBAAPYSSOEL-CQSZACIVSA-N -1 3 360.425 3.237 20 0 FGADHM C[C@@H]1c2ccc(F)cc2C[C@H](C)N1C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000825014467 608828157 /nfs/dbraw/zinc/82/81/57/608828157.db2.gz VXRXVPJTQZTPNV-VHSXEESVSA-N -1 3 357.414 3.215 20 0 FGADHM C[C@@H]1c2ccc(F)cc2C[C@H](C)N1C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000825014467 608828158 /nfs/dbraw/zinc/82/81/58/608828158.db2.gz VXRXVPJTQZTPNV-VHSXEESVSA-N -1 3 357.414 3.215 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1Oc1ccc(NC(=O)C2=CCC2)cc1 ZINC000826176698 608865517 /nfs/dbraw/zinc/86/55/17/608865517.db2.gz ZRKYDNFDBRWDCM-UHFFFAOYSA-N -1 3 363.377 3.326 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1Oc1ccc(NC(=O)C2=CCC2)cc1 ZINC000826176698 608865519 /nfs/dbraw/zinc/86/55/19/608865519.db2.gz ZRKYDNFDBRWDCM-UHFFFAOYSA-N -1 3 363.377 3.326 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cnn(C(C)C)c1C ZINC000825318108 608887445 /nfs/dbraw/zinc/88/74/45/608887445.db2.gz ISAGLZWVGYWHBQ-UHFFFAOYSA-N -1 3 367.457 3.005 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cnn(C(C)C)c1C ZINC000825318108 608887446 /nfs/dbraw/zinc/88/74/46/608887446.db2.gz ISAGLZWVGYWHBQ-UHFFFAOYSA-N -1 3 367.457 3.005 20 0 FGADHM C[C@@H](Nc1ccc(N2CCOCC2)cc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824658400 609161001 /nfs/dbraw/zinc/16/10/01/609161001.db2.gz WVXWDYGGWYLTTN-CYBMUJFWSA-N -1 3 368.416 3.016 20 0 FGADHM C[C@@H](Nc1ccc(N2CCOCC2)cc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824658400 609161004 /nfs/dbraw/zinc/16/10/04/609161004.db2.gz WVXWDYGGWYLTTN-CYBMUJFWSA-N -1 3 368.416 3.016 20 0 FGADHM CC[C@H](SC)C(=O)Nc1c(-c2nnn[n-]2)c(C)c(C)n1-c1ccccc1 ZINC000825159341 609167341 /nfs/dbraw/zinc/16/73/41/609167341.db2.gz NUJMKDIUPRMZTL-AWEZNQCLSA-N -1 3 370.482 3.354 20 0 FGADHM CC[C@H](SC)C(=O)Nc1c(-c2nn[n-]n2)c(C)c(C)n1-c1ccccc1 ZINC000825159341 609167342 /nfs/dbraw/zinc/16/73/42/609167342.db2.gz NUJMKDIUPRMZTL-AWEZNQCLSA-N -1 3 370.482 3.354 20 0 FGADHM CCNc1ccc(-c2nn[n-]n2)cc1NCc1cccc(OC(C)(C)C)n1 ZINC000825480801 609177907 /nfs/dbraw/zinc/17/79/07/609177907.db2.gz LSDMYUWKOXTMGP-UHFFFAOYSA-N -1 3 367.457 3.483 20 0 FGADHM C[C@H](NCc1ccn(-c2ccccc2F)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824626674 609183394 /nfs/dbraw/zinc/18/33/94/609183394.db2.gz QVRLXADBCYZHCX-ZDUSSCGKSA-N -1 3 363.400 3.042 20 0 FGADHM CCCCCN(Cc1ccc(F)cc1)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000825275967 609191954 /nfs/dbraw/zinc/19/19/54/609191954.db2.gz KAIDACVILLHLSE-UHFFFAOYSA-N -1 3 356.405 3.167 20 0 FGADHM CCCCCN(Cc1ccc(F)cc1)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000825275967 609191955 /nfs/dbraw/zinc/19/19/55/609191955.db2.gz KAIDACVILLHLSE-UHFFFAOYSA-N -1 3 356.405 3.167 20 0 FGADHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N(Cc1ccc2ccccc2c1)C1CC1 ZINC000826469182 609201565 /nfs/dbraw/zinc/20/15/65/609201565.db2.gz XIESMBNTDSJSDY-UHFFFAOYSA-N -1 3 358.405 3.153 20 0 FGADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N(Cc1ccc2ccccc2c1)C1CC1 ZINC000826469182 609201566 /nfs/dbraw/zinc/20/15/66/609201566.db2.gz XIESMBNTDSJSDY-UHFFFAOYSA-N -1 3 358.405 3.153 20 0 FGADHM CC(C)CCc1ccc(NC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000824249031 609214437 /nfs/dbraw/zinc/21/44/37/609214437.db2.gz HBJYMCOJAJEOFJ-GOSISDBHSA-N -1 3 365.437 3.127 20 0 FGADHM CC(C)CCc1ccc(NC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000824249031 609214439 /nfs/dbraw/zinc/21/44/39/609214439.db2.gz HBJYMCOJAJEOFJ-GOSISDBHSA-N -1 3 365.437 3.127 20 0 FGADHM Cc1cc(C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)nn1[C@H](C)C1CC1 ZINC000826260777 609234018 /nfs/dbraw/zinc/23/40/18/609234018.db2.gz DNJSMBLUFCWQJR-OLZOCXBDSA-N -1 3 366.425 3.261 20 0 FGADHM Cc1cc(C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)nn1[C@H](C)C1CC1 ZINC000826260777 609234019 /nfs/dbraw/zinc/23/40/19/609234019.db2.gz DNJSMBLUFCWQJR-OLZOCXBDSA-N -1 3 366.425 3.261 20 0 FGADHM C[C@H](Nc1cncc(Br)c1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824662487 609252993 /nfs/dbraw/zinc/25/29/93/609252993.db2.gz LLQZUSKTZXZZMB-QMMMGPOBSA-N -1 3 363.194 3.336 20 0 FGADHM C[C@H](Nc1cncc(Br)c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824662487 609252995 /nfs/dbraw/zinc/25/29/95/609252995.db2.gz LLQZUSKTZXZZMB-QMMMGPOBSA-N -1 3 363.194 3.336 20 0 FGADHM CCCNC(=O)c1cccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC000825332091 609274093 /nfs/dbraw/zinc/27/40/93/609274093.db2.gz DUPSFBCVKAQDGZ-LBPRGKRZSA-N -1 3 368.416 3.319 20 0 FGADHM CCCNC(=O)c1cccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC000825332091 609274094 /nfs/dbraw/zinc/27/40/94/609274094.db2.gz DUPSFBCVKAQDGZ-LBPRGKRZSA-N -1 3 368.416 3.319 20 0 FGADHM Cc1nn(-c2ccccc2)cc1NC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000826333196 609283059 /nfs/dbraw/zinc/28/30/59/609283059.db2.gz XXVDGSQFCLMROF-UHFFFAOYSA-N -1 3 360.381 3.005 20 0 FGADHM Cc1nn(-c2ccccc2)cc1NC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000826333196 609283061 /nfs/dbraw/zinc/28/30/61/609283061.db2.gz XXVDGSQFCLMROF-UHFFFAOYSA-N -1 3 360.381 3.005 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)O[C@H](C)c1nc(C2CC2)cs1 ZINC000826251595 609286441 /nfs/dbraw/zinc/28/64/41/609286441.db2.gz UZUIFBQIAXJQTB-SNVBAGLBSA-N -1 3 355.423 3.427 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)O[C@H](C)c1nc(C2CC2)cs1 ZINC000826251595 609286442 /nfs/dbraw/zinc/28/64/42/609286442.db2.gz UZUIFBQIAXJQTB-SNVBAGLBSA-N -1 3 355.423 3.427 20 0 FGADHM Cc1nc2cc(NC(=O)c3ccc(-c4nnn[n-]4)cc3C)ccc2s1 ZINC000826328659 609287851 /nfs/dbraw/zinc/28/78/51/609287851.db2.gz YRLQKNWCDMPENQ-UHFFFAOYSA-N -1 3 350.407 3.346 20 0 FGADHM Cc1nc2cc(NC(=O)c3ccc(-c4nn[n-]n4)cc3C)ccc2s1 ZINC000826328659 609287854 /nfs/dbraw/zinc/28/78/54/609287854.db2.gz YRLQKNWCDMPENQ-UHFFFAOYSA-N -1 3 350.407 3.346 20 0 FGADHM O=C(CCC1CCCC1)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000826405775 609289547 /nfs/dbraw/zinc/28/95/47/609289547.db2.gz TXRLUWUGHOLXJK-UHFFFAOYSA-N -1 3 369.404 3.100 20 0 FGADHM CCS[C@@H]1CCCCN(C(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)C1 ZINC000825669072 609291396 /nfs/dbraw/zinc/29/13/96/609291396.db2.gz PKUOHKGXDIUMFZ-GFCCVEGCSA-N -1 3 365.890 3.268 20 0 FGADHM CCS[C@@H]1CCCCN(C(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)C1 ZINC000825669072 609291398 /nfs/dbraw/zinc/29/13/98/609291398.db2.gz PKUOHKGXDIUMFZ-GFCCVEGCSA-N -1 3 365.890 3.268 20 0 FGADHM CCCC[C@H](CC)C(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000825259310 609292466 /nfs/dbraw/zinc/29/24/66/609292466.db2.gz ICXPUXKIMNMAMA-LBPRGKRZSA-N -1 3 371.420 3.346 20 0 FGADHM CC[C@H](NC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)c1nc(C)cs1 ZINC000825133068 609299605 /nfs/dbraw/zinc/29/96/05/609299605.db2.gz IJGWZXWKOURYOS-LBPRGKRZSA-N -1 3 362.846 3.166 20 0 FGADHM CC[C@H](NC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)c1nc(C)cs1 ZINC000825133068 609299606 /nfs/dbraw/zinc/29/96/06/609299606.db2.gz IJGWZXWKOURYOS-LBPRGKRZSA-N -1 3 362.846 3.166 20 0 FGADHM O=C(NC1(c2cccc(F)c2)CC1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826428983 609300566 /nfs/dbraw/zinc/30/05/66/609300566.db2.gz QLLMFWVSZUPFCU-UHFFFAOYSA-N -1 3 357.776 3.078 20 0 FGADHM O=C(NC1(c2cccc(F)c2)CC1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826428983 609300567 /nfs/dbraw/zinc/30/05/67/609300567.db2.gz QLLMFWVSZUPFCU-UHFFFAOYSA-N -1 3 357.776 3.078 20 0 FGADHM Clc1ccc(COc2ccc(Br)cc2-c2nnn[n-]2)nc1 ZINC000826352379 609311676 /nfs/dbraw/zinc/31/16/76/609311676.db2.gz YPFLZRZBQQGQKM-UHFFFAOYSA-N -1 3 366.606 3.257 20 0 FGADHM Clc1ccc(COc2ccc(Br)cc2-c2nn[n-]n2)nc1 ZINC000826352379 609311678 /nfs/dbraw/zinc/31/16/78/609311678.db2.gz YPFLZRZBQQGQKM-UHFFFAOYSA-N -1 3 366.606 3.257 20 0 FGADHM Cc1ccc(CNc2ccc(-c3nnn[n-]3)c(Cl)c2)c(N2CCCC2)n1 ZINC000826288461 609312768 /nfs/dbraw/zinc/31/27/68/609312768.db2.gz IBSFAWCCXVULOO-UHFFFAOYSA-N -1 3 369.860 3.436 20 0 FGADHM Cc1ccc(CNc2ccc(-c3nn[n-]n3)c(Cl)c2)c(N2CCCC2)n1 ZINC000826288461 609312771 /nfs/dbraw/zinc/31/27/71/609312771.db2.gz IBSFAWCCXVULOO-UHFFFAOYSA-N -1 3 369.860 3.436 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1CNCc1c(Cl)ccc2cccnc21 ZINC000826371608 609320036 /nfs/dbraw/zinc/32/00/36/609320036.db2.gz MHJZFMQOJMLKIL-UHFFFAOYSA-N -1 3 368.803 3.497 20 0 FGADHM CSC[C@@H](C)NC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826227978 609321274 /nfs/dbraw/zinc/32/12/74/609321274.db2.gz AMFZQBWMQURYPE-GFCCVEGCSA-N -1 3 369.450 3.140 20 0 FGADHM CSC[C@@H](C)NC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826227978 609321276 /nfs/dbraw/zinc/32/12/76/609321276.db2.gz AMFZQBWMQURYPE-GFCCVEGCSA-N -1 3 369.450 3.140 20 0 FGADHM CC(C)(C)C[C@@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)C(F)(F)F ZINC000824087559 609323202 /nfs/dbraw/zinc/32/32/02/609323202.db2.gz XCNIIDDBWUBFFT-MMQHEFTJSA-N -1 3 367.375 3.363 20 0 FGADHM CC(C)(C)C[C@@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)C(F)(F)F ZINC000824087559 609323203 /nfs/dbraw/zinc/32/32/03/609323203.db2.gz XCNIIDDBWUBFFT-MMQHEFTJSA-N -1 3 367.375 3.363 20 0 FGADHM C[C@H](NCc1cn2cc(Cl)ccc2n1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824627106 609326660 /nfs/dbraw/zinc/32/66/60/609326660.db2.gz UKSUTKSMRZEZOB-JTQLQIEISA-N -1 3 371.807 3.158 20 0 FGADHM C[C@H](NCc1cn2cc(Cl)ccc2n1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824627106 609326662 /nfs/dbraw/zinc/32/66/62/609326662.db2.gz UKSUTKSMRZEZOB-JTQLQIEISA-N -1 3 371.807 3.158 20 0 FGADHM CC[C@@H](C)n1nc(C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000825081132 609327153 /nfs/dbraw/zinc/32/71/53/609327153.db2.gz GPQQJTIYXBZVKV-YPMHNXCESA-N -1 3 354.414 3.261 20 0 FGADHM CC[C@@H](C)n1nc(C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000825081132 609327155 /nfs/dbraw/zinc/32/71/55/609327155.db2.gz GPQQJTIYXBZVKV-YPMHNXCESA-N -1 3 354.414 3.261 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)c1ccc(OC(C)(C)C)nc1 ZINC000826254655 609332304 /nfs/dbraw/zinc/33/23/04/609332304.db2.gz VNMKNNBNZIDNSZ-UHFFFAOYSA-N -1 3 367.409 3.104 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)c1ccc(OC(C)(C)C)nc1 ZINC000826254655 609332305 /nfs/dbraw/zinc/33/23/05/609332305.db2.gz VNMKNNBNZIDNSZ-UHFFFAOYSA-N -1 3 367.409 3.104 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1CSCc1ccc2c(c1)COC2 ZINC000826184572 609332355 /nfs/dbraw/zinc/33/23/55/609332355.db2.gz BTUVIRWLVOSNRF-UHFFFAOYSA-N -1 3 354.435 3.339 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1CSCc1ccc2c(c1)COC2 ZINC000826184572 609332356 /nfs/dbraw/zinc/33/23/56/609332356.db2.gz BTUVIRWLVOSNRF-UHFFFAOYSA-N -1 3 354.435 3.339 20 0 FGADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1Br)C1CCCCC1 ZINC000826465099 609338021 /nfs/dbraw/zinc/33/80/21/609338021.db2.gz YUNISAVHSVWFSL-UHFFFAOYSA-N -1 3 365.231 3.253 20 0 FGADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1Br)C1CCCCC1 ZINC000826465099 609338024 /nfs/dbraw/zinc/33/80/24/609338024.db2.gz YUNISAVHSVWFSL-UHFFFAOYSA-N -1 3 365.231 3.253 20 0 FGADHM CC(=O)Nc1cc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2F)ccc1C ZINC000823999632 609345557 /nfs/dbraw/zinc/34/55/57/609345557.db2.gz FBGJVEIBCOIXFS-NSHDSACASA-N -1 3 354.389 3.446 20 0 FGADHM CC(=O)Nc1cc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2F)ccc1C ZINC000823999632 609345559 /nfs/dbraw/zinc/34/55/59/609345559.db2.gz FBGJVEIBCOIXFS-NSHDSACASA-N -1 3 354.389 3.446 20 0 FGADHM COc1cc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2F)cc(OC)c1OC ZINC000826180561 609346801 /nfs/dbraw/zinc/34/68/01/609346801.db2.gz MOHFXESKMICTLP-JTQLQIEISA-N -1 3 373.388 3.205 20 0 FGADHM COc1cc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2F)cc(OC)c1OC ZINC000826180561 609346803 /nfs/dbraw/zinc/34/68/03/609346803.db2.gz MOHFXESKMICTLP-JTQLQIEISA-N -1 3 373.388 3.205 20 0 FGADHM CCN(CC)c1ccc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2F)cn1 ZINC000825416451 609348136 /nfs/dbraw/zinc/34/81/36/609348136.db2.gz IXPDNDZOGFTSMG-GFCCVEGCSA-N -1 3 355.421 3.420 20 0 FGADHM CCN(CC)c1ccc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2F)cn1 ZINC000825416451 609348138 /nfs/dbraw/zinc/34/81/38/609348138.db2.gz IXPDNDZOGFTSMG-GFCCVEGCSA-N -1 3 355.421 3.420 20 0 FGADHM CC(C)[C@@H]1C[C@@H](CC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CCO1 ZINC000824216266 609370848 /nfs/dbraw/zinc/37/08/48/609370848.db2.gz POSDLHWZKPJMPI-NHYWBVRUSA-N -1 3 363.849 3.300 20 0 FGADHM CC(C)[C@@H]1C[C@@H](CC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CCO1 ZINC000824216266 609370850 /nfs/dbraw/zinc/37/08/50/609370850.db2.gz POSDLHWZKPJMPI-NHYWBVRUSA-N -1 3 363.849 3.300 20 0 FGADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)C[C@H]2CCO[C@H](C(C)C)C2)s1 ZINC000825694681 609381001 /nfs/dbraw/zinc/38/10/01/609381001.db2.gz ZEYITCDSKPSFII-FZMZJTMJSA-N -1 3 363.487 3.270 20 0 FGADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)C[C@H]2CCO[C@H](C(C)C)C2)s1 ZINC000825694681 609381004 /nfs/dbraw/zinc/38/10/04/609381004.db2.gz ZEYITCDSKPSFII-FZMZJTMJSA-N -1 3 363.487 3.270 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H](F)Cc1ccccc1 ZINC000825332811 609382860 /nfs/dbraw/zinc/38/28/60/609382860.db2.gz MLPNFCAKCKOAST-HNNXBMFYSA-N -1 3 368.416 3.208 20 0 FGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccnc(Cl)c1 ZINC000824292788 609382966 /nfs/dbraw/zinc/38/29/66/609382966.db2.gz AARDHIJZKLFWJC-UHFFFAOYSA-N -1 3 371.832 3.358 20 0 FGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccnc(Cl)c1 ZINC000824292788 609382969 /nfs/dbraw/zinc/38/29/69/609382969.db2.gz AARDHIJZKLFWJC-UHFFFAOYSA-N -1 3 371.832 3.358 20 0 FGADHM CC[C@@H](C)n1nc(C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1C ZINC000825081980 609385633 /nfs/dbraw/zinc/38/56/33/609385633.db2.gz OTUANHFJZVABFX-YPMHNXCESA-N -1 3 354.414 3.261 20 0 FGADHM CC[C@@H](C)n1nc(C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1C ZINC000825081980 609385635 /nfs/dbraw/zinc/38/56/35/609385635.db2.gz OTUANHFJZVABFX-YPMHNXCESA-N -1 3 354.414 3.261 20 0 FGADHM C[C@@H](NC(=O)N1CC[C@]2(CC[C@@H](C)C2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000824919047 609403917 /nfs/dbraw/zinc/40/39/17/609403917.db2.gz RMLJJDPEZMXRMD-LPMFXHHGSA-N -1 3 354.458 3.149 20 0 FGADHM C[C@@H](NC(=O)N1CC[C@]2(CC[C@@H](C)C2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000824919047 609403919 /nfs/dbraw/zinc/40/39/19/609403919.db2.gz RMLJJDPEZMXRMD-LPMFXHHGSA-N -1 3 354.458 3.149 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CC[C@@]2(CC[C@H](C)C2)C1 ZINC000825620643 609403948 /nfs/dbraw/zinc/40/39/48/609403948.db2.gz FSPGKIWBAYZBBY-ORAYPTAESA-N -1 3 370.457 3.309 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CC[C@@]2(CC[C@H](C)C2)C1 ZINC000825620643 609403950 /nfs/dbraw/zinc/40/39/50/609403950.db2.gz FSPGKIWBAYZBBY-ORAYPTAESA-N -1 3 370.457 3.309 20 0 FGADHM CC(C)(C)[C@@H]1CCc2nc(NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)sc2C1 ZINC000824078630 609404202 /nfs/dbraw/zinc/40/42/02/609404202.db2.gz JKSQGHMDRGAOFC-SNVBAGLBSA-N -1 3 371.470 3.055 20 0 FGADHM CC(C)(C)[C@@H]1CCc2nc(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)sc2C1 ZINC000824078630 609404204 /nfs/dbraw/zinc/40/42/04/609404204.db2.gz JKSQGHMDRGAOFC-SNVBAGLBSA-N -1 3 371.470 3.055 20 0 FGADHM Cc1ccc(C)c(N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)c1 ZINC000826285247 609406617 /nfs/dbraw/zinc/40/66/17/609406617.db2.gz TZYCTMXRHTVQAS-KRWDZBQOSA-N -1 3 362.437 3.091 20 0 FGADHM Cc1ccc(C)c(N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)c1 ZINC000826285247 609406618 /nfs/dbraw/zinc/40/66/18/609406618.db2.gz TZYCTMXRHTVQAS-KRWDZBQOSA-N -1 3 362.437 3.091 20 0 FGADHM CCc1cccc(N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)c1 ZINC000825723230 609410764 /nfs/dbraw/zinc/41/07/64/609410764.db2.gz UZKYYQKPMWGJAB-SFHVURJKSA-N -1 3 362.437 3.037 20 0 FGADHM CCc1cccc(N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)c1 ZINC000825723230 609410767 /nfs/dbraw/zinc/41/07/67/609410767.db2.gz UZKYYQKPMWGJAB-SFHVURJKSA-N -1 3 362.437 3.037 20 0 FGADHM CCNC(=S)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825476290 609443462 /nfs/dbraw/zinc/44/34/62/609443462.db2.gz FIBRTUTVPOPSOY-GFCCVEGCSA-N -1 3 352.467 3.079 20 0 FGADHM CCNC(=S)N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825476290 609443466 /nfs/dbraw/zinc/44/34/66/609443466.db2.gz FIBRTUTVPOPSOY-GFCCVEGCSA-N -1 3 352.467 3.079 20 0 FGADHM C[C@@H](NC(=O)N1CCCC1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824491443 609454282 /nfs/dbraw/zinc/45/42/82/609454282.db2.gz UVYQLYBBNXLSPH-CQSZACIVSA-N -1 3 362.437 3.400 20 0 FGADHM C[C@@H](NC(=O)N1CCCC1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824491443 609454283 /nfs/dbraw/zinc/45/42/83/609454283.db2.gz UVYQLYBBNXLSPH-CQSZACIVSA-N -1 3 362.437 3.400 20 0 FGADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc(-c2ccccc2)o1 ZINC000825972201 609478523 /nfs/dbraw/zinc/47/85/23/609478523.db2.gz WPYKHFLUDINLDO-UHFFFAOYSA-N -1 3 359.389 3.399 20 0 FGADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc(-c2ccccc2)o1 ZINC000825972201 609478524 /nfs/dbraw/zinc/47/85/24/609478524.db2.gz WPYKHFLUDINLDO-UHFFFAOYSA-N -1 3 359.389 3.399 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NCc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000826278408 609479716 /nfs/dbraw/zinc/47/97/16/609479716.db2.gz AWRFAAXCWMWROO-SFHVURJKSA-N -1 3 365.437 3.345 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NCc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000826278408 609479717 /nfs/dbraw/zinc/47/97/17/609479717.db2.gz AWRFAAXCWMWROO-SFHVURJKSA-N -1 3 365.437 3.345 20 0 FGADHM CCOC(=O)Nc1ccc(NCc2ccc(OC)cc2)cc1-c1nnn[n-]1 ZINC000825553139 609488365 /nfs/dbraw/zinc/48/83/65/609488365.db2.gz JXJHQHIIAGHZKC-UHFFFAOYSA-N -1 3 368.397 3.056 20 0 FGADHM CCOC(=O)Nc1ccc(NCc2ccc(OC)cc2)cc1-c1nn[n-]n1 ZINC000825553139 609488367 /nfs/dbraw/zinc/48/83/67/609488367.db2.gz JXJHQHIIAGHZKC-UHFFFAOYSA-N -1 3 368.397 3.056 20 0 FGADHM CC[C@@H]1CCCC[C@H]1Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1 ZINC000825194362 609498886 /nfs/dbraw/zinc/49/88/86/609498886.db2.gz PVTABGUVLGTJHI-RDTXWAMCSA-N -1 3 370.501 3.209 20 0 FGADHM CC[C@@H]1CCCC[C@H]1Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1 ZINC000825194362 609498888 /nfs/dbraw/zinc/49/88/88/609498888.db2.gz PVTABGUVLGTJHI-RDTXWAMCSA-N -1 3 370.501 3.209 20 0 FGADHM CCOCc1ccccc1CNc1ncc(Cl)c(C)c1-c1nnn[n-]1 ZINC000825605609 609530441 /nfs/dbraw/zinc/53/04/41/609530441.db2.gz YQWSNAROXAFBCC-UHFFFAOYSA-N -1 3 358.833 3.372 20 0 FGADHM CCOCc1ccccc1CNc1ncc(Cl)c(C)c1-c1nn[n-]n1 ZINC000825605609 609530444 /nfs/dbraw/zinc/53/04/44/609530444.db2.gz YQWSNAROXAFBCC-UHFFFAOYSA-N -1 3 358.833 3.372 20 0 FGADHM Cc1c(Cl)cnc(N2CCC(OC3CCCC3)CC2)c1-c1nnn[n-]1 ZINC000826238196 609543588 /nfs/dbraw/zinc/54/35/88/609543588.db2.gz ZBCCFPDITHIETM-UHFFFAOYSA-N -1 3 362.865 3.152 20 0 FGADHM Cc1c(Cl)cnc(N2CCC(OC3CCCC3)CC2)c1-c1nn[n-]n1 ZINC000826238196 609543589 /nfs/dbraw/zinc/54/35/89/609543589.db2.gz ZBCCFPDITHIETM-UHFFFAOYSA-N -1 3 362.865 3.152 20 0 FGADHM C[C@@H](Nc1nnc(Cc2ccccc2)s1)c1cccc(-c2nnn[n-]2)c1 ZINC000824670615 609561768 /nfs/dbraw/zinc/56/17/68/609561768.db2.gz SKGGIVADSSARDA-GFCCVEGCSA-N -1 3 363.450 3.482 20 0 FGADHM C[C@@H](Nc1nnc(Cc2ccccc2)s1)c1cccc(-c2nn[n-]n2)c1 ZINC000824670615 609561769 /nfs/dbraw/zinc/56/17/69/609561769.db2.gz SKGGIVADSSARDA-GFCCVEGCSA-N -1 3 363.450 3.482 20 0 FGADHM Cc1ccnc(N[C@H]2CC(C)(C)Oc3cc(F)ccc32)c1-c1nnn[n-]1 ZINC000826311327 609578843 /nfs/dbraw/zinc/57/88/43/609578843.db2.gz ATLBYPJQUBBYIB-ZDUSSCGKSA-N -1 3 354.389 3.424 20 0 FGADHM Cc1ccnc(N[C@H]2CC(C)(C)Oc3cc(F)ccc32)c1-c1nn[n-]n1 ZINC000826311327 609578845 /nfs/dbraw/zinc/57/88/45/609578845.db2.gz ATLBYPJQUBBYIB-ZDUSSCGKSA-N -1 3 354.389 3.424 20 0 FGADHM CC[C@H](C)[C@H](C)C(=O)Nc1c(C)c(C)nn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000825051481 609586956 /nfs/dbraw/zinc/58/69/56/609586956.db2.gz QCFCUAXMLKYZEF-RYUDHWBXSA-N -1 3 367.457 3.290 20 0 FGADHM Brc1ccc(NC[C@H]2CCCCS2)c(-c2nnn[n-]2)c1 ZINC000823832316 609587731 /nfs/dbraw/zinc/58/77/31/609587731.db2.gz LXNRUULBMHFGSY-SNVBAGLBSA-N -1 3 354.277 3.327 20 0 FGADHM Brc1ccc(NC[C@H]2CCCCS2)c(-c2nn[n-]n2)c1 ZINC000823832316 609587732 /nfs/dbraw/zinc/58/77/32/609587732.db2.gz LXNRUULBMHFGSY-SNVBAGLBSA-N -1 3 354.277 3.327 20 0 FGADHM COc1cccc(CC2CCN(c3nccc(C)c3-c3nnn[n-]3)CC2)c1 ZINC000826216259 609588281 /nfs/dbraw/zinc/58/82/81/609588281.db2.gz QJUHQNIYTOYAMD-UHFFFAOYSA-N -1 3 364.453 3.038 20 0 FGADHM COc1cccc(CC2CCN(c3nccc(C)c3-c3nn[n-]n3)CC2)c1 ZINC000826216259 609588283 /nfs/dbraw/zinc/58/82/83/609588283.db2.gz QJUHQNIYTOYAMD-UHFFFAOYSA-N -1 3 364.453 3.038 20 0 FGADHM CCC[C@@H]1C[C@@H](C(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)CCO1 ZINC000825254195 609593507 /nfs/dbraw/zinc/59/35/07/609593507.db2.gz RCRAGVMZWYJKAC-WCQYABFASA-N -1 3 363.849 3.078 20 0 FGADHM CCC[C@@H]1C[C@@H](C(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)CCO1 ZINC000825254195 609593509 /nfs/dbraw/zinc/59/35/09/609593509.db2.gz RCRAGVMZWYJKAC-WCQYABFASA-N -1 3 363.849 3.078 20 0 FGADHM Cc1ccc(N2CCN(c3ccc4cc(-c5nnn[n-]5)ccc4n3)CC2)cc1 ZINC000826290135 609594948 /nfs/dbraw/zinc/59/49/48/609594948.db2.gz CCODZMLTCINIHC-UHFFFAOYSA-N -1 3 371.448 3.050 20 0 FGADHM Cc1ccc(N2CCN(c3ccc4cc(-c5nn[n-]n5)ccc4n3)CC2)cc1 ZINC000826290135 609594949 /nfs/dbraw/zinc/59/49/49/609594949.db2.gz CCODZMLTCINIHC-UHFFFAOYSA-N -1 3 371.448 3.050 20 0 FGADHM C[C@@](NC(=O)c1sccc1-c1nnn[n-]1)(c1ccccc1)C(F)(F)F ZINC000824520735 609604708 /nfs/dbraw/zinc/60/47/08/609604708.db2.gz CQJNZORGDGIAJF-CQSZACIVSA-N -1 3 367.356 3.136 20 0 FGADHM C[C@@](NC(=O)c1sccc1-c1nn[n-]n1)(c1ccccc1)C(F)(F)F ZINC000824520735 609604709 /nfs/dbraw/zinc/60/47/09/609604709.db2.gz CQJNZORGDGIAJF-CQSZACIVSA-N -1 3 367.356 3.136 20 0 FGADHM O=C(OCc1ccc(Cl)cc1-c1nnn[n-]1)[C@H](F)Cc1ccccc1 ZINC000826465317 609613973 /nfs/dbraw/zinc/61/39/73/609613973.db2.gz HVGVNLXTZWQVMX-OAHLLOKOSA-N -1 3 360.776 3.144 20 0 FGADHM O=C(OCc1ccc(Cl)cc1-c1nn[n-]n1)[C@H](F)Cc1ccccc1 ZINC000826465317 609613974 /nfs/dbraw/zinc/61/39/74/609613974.db2.gz HVGVNLXTZWQVMX-OAHLLOKOSA-N -1 3 360.776 3.144 20 0 FGADHM COCc1cccc(C(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000826164928 609614344 /nfs/dbraw/zinc/61/43/44/609614344.db2.gz XQQIQBZYFCVEKI-UHFFFAOYSA-N -1 3 358.785 3.024 20 0 FGADHM COCc1cccc(C(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000826164928 609614345 /nfs/dbraw/zinc/61/43/45/609614345.db2.gz XQQIQBZYFCVEKI-UHFFFAOYSA-N -1 3 358.785 3.024 20 0 FGADHM O=C(Cc1c(F)cccc1F)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826421703 609620616 /nfs/dbraw/zinc/62/06/16/609620616.db2.gz VLHRDHZZZQEGNI-UHFFFAOYSA-N -1 3 364.739 3.084 20 0 FGADHM O=C(Cc1c(F)cccc1F)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826421703 609620618 /nfs/dbraw/zinc/62/06/18/609620618.db2.gz VLHRDHZZZQEGNI-UHFFFAOYSA-N -1 3 364.739 3.084 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)C(F)(F)c1ccc(C)cc1 ZINC000826171823 609625454 /nfs/dbraw/zinc/62/54/54/609625454.db2.gz ZVRZKBJSDKLCIN-UHFFFAOYSA-N -1 3 374.347 3.019 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)C(F)(F)c1ccc(C)cc1 ZINC000826171823 609625456 /nfs/dbraw/zinc/62/54/56/609625456.db2.gz ZVRZKBJSDKLCIN-UHFFFAOYSA-N -1 3 374.347 3.019 20 0 FGADHM Cc1ccc2c(c1)[C@H](NC(=O)c1c(F)cc(-c3nnn[n-]3)cc1F)[C@H](C)C2 ZINC000826294590 609625943 /nfs/dbraw/zinc/62/59/43/609625943.db2.gz WHRLTNVKILUPSL-BMLIUANNSA-N -1 3 369.375 3.117 20 0 FGADHM Cc1ccc2c(c1)[C@H](NC(=O)c1c(F)cc(-c3nn[n-]n3)cc1F)[C@H](C)C2 ZINC000826294590 609625944 /nfs/dbraw/zinc/62/59/44/609625944.db2.gz WHRLTNVKILUPSL-BMLIUANNSA-N -1 3 369.375 3.117 20 0 FGADHM CC[C@H](C)[C@H](C)C(=O)OCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000825059982 609642320 /nfs/dbraw/zinc/64/23/20/609642320.db2.gz MWMQFIACZJUJTF-UWVGGRQHSA-N -1 3 354.357 3.194 20 0 FGADHM CC[C@H](C)[C@H](C)C(=O)OCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000825059982 609642321 /nfs/dbraw/zinc/64/23/21/609642321.db2.gz MWMQFIACZJUJTF-UWVGGRQHSA-N -1 3 354.357 3.194 20 0 FGADHM Cc1sc2[n-]c([C@H](C)OC(=O)COc3ccccc3)nc(=O)c2c1C ZINC000006291711 695555881 /nfs/dbraw/zinc/55/58/81/695555881.db2.gz QHWRTMRVBBZKMY-NSHDSACASA-N -1 3 358.419 3.285 20 0 FGADHM CC[C@@H](C)[C@H](C(=O)OCC(=O)[N-]C(=O)c1cccs1)c1ccccc1 ZINC000007089800 695562583 /nfs/dbraw/zinc/56/25/83/695562583.db2.gz BUXYNARUBVEFEC-DYVFJYSZSA-N -1 3 359.447 3.378 20 0 FGADHM O=C(COC(=O)c1ccc(Cl)c(Cl)c1)[N-]C(=O)c1cccs1 ZINC000007171044 695564392 /nfs/dbraw/zinc/56/43/92/695564392.db2.gz RGTRMGWRIBEERG-UHFFFAOYSA-N -1 3 358.202 3.168 20 0 FGADHM COc1cc(OC)c(NC=C2C(=O)[N-]C(=O)c3ccccc32)cc1Cl ZINC000016719930 695631093 /nfs/dbraw/zinc/63/10/93/695631093.db2.gz VYSMXGBXFYOIRR-FMIVXFBMSA-N -1 3 358.781 3.080 20 0 FGADHM CCN(C(=O)COC(=O)c1ccc([O-])cc1)c1nc2ccccc2s1 ZINC000022726533 695656203 /nfs/dbraw/zinc/65/62/03/695656203.db2.gz RCMVZTIXJZQYTM-UHFFFAOYSA-N -1 3 356.403 3.212 20 0 FGADHM CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCC(=O)N[N-]C(=O)c1ccccc1F ZINC000029604658 695714418 /nfs/dbraw/zinc/71/44/18/695714418.db2.gz XCRJQQNNKBJCSR-KEYYUXOJSA-N -1 3 350.434 3.064 20 0 FGADHM Cc1cc(F)ccc1S(=O)(=O)[N-]c1cccc(CN2CCCC2=O)c1 ZINC000030531105 695724418 /nfs/dbraw/zinc/72/44/18/695724418.db2.gz MZMPUVOKMAHQJQ-UHFFFAOYSA-N -1 3 362.426 3.057 20 0 FGADHM O=S(=O)([N-]CCCOc1ccccc1F)c1ccc(Cl)cc1F ZINC000032442781 695745308 /nfs/dbraw/zinc/74/53/08/695745308.db2.gz MOGLRBFDOJGLQA-UHFFFAOYSA-N -1 3 361.797 3.366 20 0 FGADHM C[C@H]1CCCN(CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000046035141 695830735 /nfs/dbraw/zinc/83/07/35/695830735.db2.gz CRUAPAMYMJYJOE-NSHDSACASA-N -1 3 351.299 3.004 20 0 FGADHM CN(C)[C@@H](C[N-]S(=O)(=O)c1cccc(Cl)c1Cl)c1ccco1 ZINC000047031416 695850028 /nfs/dbraw/zinc/85/00/28/695850028.db2.gz ASDUDFQTLXEYBO-NSHDSACASA-N -1 3 363.266 3.168 20 0 FGADHM COc1cc[n-]c(=NNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)n1 ZINC000068724950 695943445 /nfs/dbraw/zinc/94/34/45/695943445.db2.gz MKFNBCXNKGXENS-VHSXEESVSA-N -1 3 353.209 3.039 20 0 FGADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCC1(c2cccc(Cl)c2)CC1 ZINC000081802833 700340556 /nfs/dbraw/zinc/34/05/56/700340556.db2.gz BYKABXJVKRUYRR-UHFFFAOYSA-N -1 3 359.857 3.317 20 0 FGADHM Cc1cnc([C@H]([N-]S(=O)(=O)c2cc(C)c(F)cc2F)C2CC2)s1 ZINC000084675001 700361251 /nfs/dbraw/zinc/36/12/51/700361251.db2.gz JFLXJJPRQNSTML-CQSZACIVSA-N -1 3 358.435 3.468 20 0 FGADHM O=C(OCC(F)F)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000103656200 700487731 /nfs/dbraw/zinc/48/77/31/700487731.db2.gz FZGSCOZUBSSVME-UHFFFAOYSA-N -1 3 359.325 3.048 20 0 FGADHM Cc1ccc(Cl)cc1NC(=O)CO[N-]C(=O)CCOc1ccccc1 ZINC000109744210 700536445 /nfs/dbraw/zinc/53/64/45/700536445.db2.gz NMRZBVSTWBIIHA-UHFFFAOYSA-N -1 3 362.813 3.104 20 0 FGADHM O=C(Nc1ccc(Br)cc1F)c1nnc2ccccc2c1[O-] ZINC000118303594 700608957 /nfs/dbraw/zinc/60/89/57/700608957.db2.gz CHHWZYVXQVFBSL-UHFFFAOYSA-N -1 3 362.158 3.077 20 0 FGADHM C[C@@H]([N-]C(=O)C(F)(F)C1(O)CCC1)c1ccc(OCC(F)(F)F)cc1 ZINC000119641611 700634655 /nfs/dbraw/zinc/63/46/55/700634655.db2.gz ZLGJSNYKAUCVDA-SNVBAGLBSA-N -1 3 367.314 3.355 20 0 FGADHM CNS(=O)(=O)c1ccc([C@@H](C)/N=C\c2cc(Cl)ccc2[O-])cc1 ZINC000122192117 700685775 /nfs/dbraw/zinc/68/57/75/700685775.db2.gz QXBRYAPICBUCTA-XEQXHXIFSA-N -1 3 352.843 3.134 20 0 FGADHM Cc1cc(F)c(S(=O)(=O)[N-]C2CCN(c3cccs3)CC2)cc1F ZINC000122478739 700690603 /nfs/dbraw/zinc/69/06/03/700690603.db2.gz NPQSPONXMPUKPI-UHFFFAOYSA-N -1 3 372.462 3.282 20 0 FGADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]CC1(Cc2ccccc2)CCC1 ZINC000126551704 700749702 /nfs/dbraw/zinc/74/97/02/700749702.db2.gz XMZHGIWFNKZGSC-UHFFFAOYSA-N -1 3 367.902 3.073 20 0 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COCCOc1cccc([N-]S(=O)(=O)C[C@H](OC)C2CCCCC2)c1 ZINC000656617511 719420390 /nfs/dbraw/zinc/42/03/90/719420390.db2.gz MNMQGWUFDGWCFB-SFHVURJKSA-N -1 3 371.499 3.049 20 0 FGADHM CO[C@@H](CS(=O)(=O)[N-]c1ccc2c(cnn2C(F)F)c1)C1CCCC1 ZINC000656626877 719424501 /nfs/dbraw/zinc/42/45/01/719424501.db2.gz WFMBMJSEELAFIW-HNNXBMFYSA-N -1 3 373.425 3.378 20 0 FGADHM CCc1c([N-]S(=O)(=O)CCc2ccc(F)cc2)cnn1CC(C)C ZINC000656627040 719425381 /nfs/dbraw/zinc/42/53/81/719425381.db2.gz YFOKJNWJHQHGQU-UHFFFAOYSA-N -1 3 353.463 3.225 20 0 FGADHM CO[C@@H](CS(=O)(=O)[N-]c1cnc2c(F)cccc2c1)C1CCCC1 ZINC000656738868 719459532 /nfs/dbraw/zinc/45/95/32/719459532.db2.gz ILICRKLNKKPPPA-INIZCTEOSA-N -1 3 352.431 3.321 20 0 FGADHM COC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1F)c1cccc(OC)c1 ZINC000657108524 719563776 /nfs/dbraw/zinc/56/37/76/719563776.db2.gz FRPSHYUPRVJMFU-OAHLLOKOSA-N -1 3 373.833 3.154 20 0 FGADHM COC[C@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)c1cccc(OC)c1 ZINC000657108229 719563929 /nfs/dbraw/zinc/56/39/29/719563929.db2.gz 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CC[C@H](Cc1ccccc1C)C(=O)OCC(=O)[N-]C(=O)c1cccs1 ZINC000820877267 729039779 /nfs/dbraw/zinc/03/97/79/729039779.db2.gz DLWJFPBGAQNTNU-CQSZACIVSA-N -1 3 359.447 3.125 20 0 FGADHM O=S(=O)([N-]c1ccc(-n2cccn2)cc1)c1ccc2onc(Cl)c2c1 ZINC000821144760 729063769 /nfs/dbraw/zinc/06/37/69/729063769.db2.gz KMHYJZPIRYUUAA-UHFFFAOYSA-N -1 3 374.809 3.468 20 0 FGADHM COC(=O)c1ccc(CSCc2ccc(-c3nnn[n-]3)cc2F)s1 ZINC000821669706 729105708 /nfs/dbraw/zinc/10/57/08/729105708.db2.gz YWJFQWLRMMVWDP-UHFFFAOYSA-N -1 3 364.427 3.287 20 0 FGADHM COC(=O)c1ccc(CSCc2ccc(-c3nn[n-]n3)cc2F)s1 ZINC000821669706 729105711 /nfs/dbraw/zinc/10/57/11/729105711.db2.gz YWJFQWLRMMVWDP-UHFFFAOYSA-N -1 3 364.427 3.287 20 0 FGADHM COc1ccc(Cl)cc1C(F)(F)C(=O)[N-][C@@H](C)c1nccc(C)n1 ZINC000822988661 729241911 /nfs/dbraw/zinc/24/19/11/729241911.db2.gz PGYPMANNYPLNIU-JTQLQIEISA-N -1 3 355.772 3.416 20 0 FGADHM COC(=O)c1cc([N-]C(=O)c2nc(C)cc(C(F)(F)F)n2)c(C)s1 ZINC000823504584 729285946 /nfs/dbraw/zinc/28/59/46/729285946.db2.gz 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729340872 /nfs/dbraw/zinc/34/08/72/729340872.db2.gz QQUYMCAGPKBCBB-SNVBAGLBSA-N -1 3 359.231 3.067 20 0 FGADHM C[C@@H](NC(=S)NNc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccccc1 ZINC000824520717 729345142 /nfs/dbraw/zinc/34/51/42/729345142.db2.gz BXQGIEKGNRLWTC-SNVBAGLBSA-N -1 3 373.873 3.072 20 0 FGADHM C[C@@H](NC(=S)NNc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccccc1 ZINC000824520717 729345143 /nfs/dbraw/zinc/34/51/43/729345143.db2.gz BXQGIEKGNRLWTC-SNVBAGLBSA-N -1 3 373.873 3.072 20 0 FGADHM CC/C=C(/C)C(=O)Nc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000825218954 729374913 /nfs/dbraw/zinc/37/49/13/729374913.db2.gz GQPOLEMPCYLBKF-WMZJFQQLSA-N -1 3 357.805 3.001 20 0 FGADHM CCOc1cc(Cl)ccc1C(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC000825615673 729389588 /nfs/dbraw/zinc/38/95/88/729389588.db2.gz GHWZYEORBDJWOB-UHFFFAOYSA-N -1 3 357.801 3.195 20 0 FGADHM CCOc1cc(Cl)ccc1C(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC000825615673 729389590 /nfs/dbraw/zinc/38/95/90/729389590.db2.gz GHWZYEORBDJWOB-UHFFFAOYSA-N -1 3 357.801 3.195 20 0 FGADHM CCSCC[C@@H](C)N(C)C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000825668271 729390905 /nfs/dbraw/zinc/39/09/05/729390905.db2.gz DDEMWNDSLFWLAF-SNVBAGLBSA-N -1 3 353.879 3.124 20 0 FGADHM CCSCC[C@@H](C)N(C)C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000825668271 729390907 /nfs/dbraw/zinc/39/09/07/729390907.db2.gz DDEMWNDSLFWLAF-SNVBAGLBSA-N -1 3 353.879 3.124 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)[C@@H]1CSc2ccccc21 ZINC000826253326 729406651 /nfs/dbraw/zinc/40/66/51/729406651.db2.gz MFWKDPYKMFAKIC-OAHLLOKOSA-N -1 3 352.419 3.108 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)[C@@H]1CSc2ccccc21 ZINC000826253326 729406652 /nfs/dbraw/zinc/40/66/52/729406652.db2.gz MFWKDPYKMFAKIC-OAHLLOKOSA-N -1 3 352.419 3.108 20 0 FGADHM Cc1cccc([C@H](O)CNc2ccc(Br)cc2-c2nnn[n-]2)c1 ZINC000826296721 729407000 /nfs/dbraw/zinc/40/70/00/729407000.db2.gz HDBZEEDWNDNIIJ-OAHLLOKOSA-N -1 3 374.242 3.083 20 0 FGADHM Cc1cccc([C@H](O)CNc2ccc(Br)cc2-c2nn[n-]n2)c1 ZINC000826296721 729407001 /nfs/dbraw/zinc/40/70/01/729407001.db2.gz HDBZEEDWNDNIIJ-OAHLLOKOSA-N -1 3 374.242 3.083 20 0 FGADHM Cc1ccoc1CNc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000826315227 729407216 /nfs/dbraw/zinc/40/72/16/729407216.db2.gz CMPXDNVIVVDSOO-UHFFFAOYSA-N -1 3 355.789 3.219 20 0 FGADHM Cc1ccoc1CNc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000826315227 729407217 /nfs/dbraw/zinc/40/72/17/729407217.db2.gz CMPXDNVIVVDSOO-UHFFFAOYSA-N -1 3 355.789 3.219 20 0 FGADHM O=C(OCC1(Cc2ccc(Cl)cc2)CC1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826462662 729408047 /nfs/dbraw/zinc/40/80/47/729408047.db2.gz DQDWDBCWUJKTGQ-UHFFFAOYSA-N -1 3 357.801 3.028 20 0 FGADHM O=C(OCC1(Cc2ccc(Cl)cc2)CC1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826462662 729408048 /nfs/dbraw/zinc/40/80/48/729408048.db2.gz DQDWDBCWUJKTGQ-UHFFFAOYSA-N -1 3 357.801 3.028 20 0 FGADHM O=S(=O)([N-][C@H]1CCOc2c(Cl)c(Cl)ccc21)c1cscn1 ZINC000827519973 729431242 /nfs/dbraw/zinc/43/12/42/729431242.db2.gz RIFCHLXORAVEIC-VIFPVBQESA-N -1 3 365.263 3.252 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1cscn1)c1ccc(C(F)(F)F)nc1Cl ZINC000827643465 729432781 /nfs/dbraw/zinc/43/27/81/729432781.db2.gz MGQPGMJJILDNCE-ZCFIWIBFSA-N -1 3 371.793 3.250 20 0 FGADHM COc1ccc(Cl)cc1C(F)(F)C(=O)[N-][C@@H]1CCCn2nccc21 ZINC000828708889 729446752 /nfs/dbraw/zinc/44/67/52/729446752.db2.gz RPWULUGPQXFASU-GFCCVEGCSA-N -1 3 355.772 3.288 20 0 FGADHM O=C(CCCC(=O)C1CC1)[N-]OCc1ccc(F)cc1Br ZINC000829748169 729508665 /nfs/dbraw/zinc/50/86/65/729508665.db2.gz HGYCAPGRYOUHHR-UHFFFAOYSA-N -1 3 358.207 3.285 20 0 FGADHM CCc1nn(C)c(CC)c1S(=O)(=O)[N-]c1cc(Cl)cnc1Cl ZINC000830018416 729530141 /nfs/dbraw/zinc/53/01/41/729530141.db2.gz MHILXONVHNFZFD-UHFFFAOYSA-N -1 3 363.270 3.048 20 0 FGADHM O=C(CCCc1ccc([O-])c(F)c1)NC[C@@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000830699361 729583978 /nfs/dbraw/zinc/58/39/78/729583978.db2.gz BBYWWVNEHVTHMR-WFASDCNBSA-N -1 3 363.351 3.470 20 0 FGADHM CCOC(=O)c1cc(C(F)(F)F)sc1NC(=O)[N-]OCC(F)F ZINC000831808237 729669119 /nfs/dbraw/zinc/66/91/19/729669119.db2.gz FZAMQDDVMCIRPO-UHFFFAOYSA-N -1 3 362.276 3.262 20 0 FGADHM O=C([O-])[C@@H](c1cc(Cl)cc(Cl)c1)N1CCC[C@@H](C2OCCO2)C1 ZINC000833172344 729741399 /nfs/dbraw/zinc/74/13/99/729741399.db2.gz SVFHNGRQOGMLSP-QMTHXVAHSA-N -1 3 360.237 3.204 20 0 FGADHM CON(C(=O)c1c[n-]c2ccc(C)cc2c1=O)[C@H](C)c1csc(C)n1 ZINC000833743439 729751534 /nfs/dbraw/zinc/75/15/34/729751534.db2.gz DZOUUGUFUFWOLS-LLVKDONJSA-N -1 3 357.435 3.366 20 0 FGADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1cnn([C@H](C)CC)c1C1CC1 ZINC000836483489 729957331 /nfs/dbraw/zinc/95/73/31/729957331.db2.gz UORDRBXKWUKHLG-LLVKDONJSA-N -1 3 352.435 3.126 20 0 FGADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1cnn([C@H](C)CC)c1C1CC1 ZINC000836483489 729957332 /nfs/dbraw/zinc/95/73/32/729957332.db2.gz UORDRBXKWUKHLG-LLVKDONJSA-N -1 3 352.435 3.126 20 0 FGADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1cc(C)cc(Br)c1 ZINC000836541030 729959776 /nfs/dbraw/zinc/95/97/76/729959776.db2.gz BFDGUYGEHNORGL-UHFFFAOYSA-N -1 3 359.220 3.152 20 0 FGADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1cc(C)cc(Br)c1 ZINC000836541030 729959777 /nfs/dbraw/zinc/95/97/77/729959777.db2.gz BFDGUYGEHNORGL-UHFFFAOYSA-N -1 3 359.220 3.152 20 0 FGADHM CC(C)[C@H](CO)ON=C([O-])Nc1nc2c(cccc2Br)s1 ZINC000836615902 729962561 /nfs/dbraw/zinc/96/25/61/729962561.db2.gz XTGBLXLKIQUJRW-VIFPVBQESA-N -1 3 374.260 3.129 20 0 FGADHM CC(C)[C@H](CO)O[N-]C(=O)Nc1nc2c(cccc2Br)s1 ZINC000836615902 729962562 /nfs/dbraw/zinc/96/25/62/729962562.db2.gz XTGBLXLKIQUJRW-VIFPVBQESA-N -1 3 374.260 3.129 20 0 FGADHM CC(C)[C@H](CO)O[N-]C(=O)C[C@@H](C)c1ccc(F)c(Br)c1 ZINC000836895154 729973329 /nfs/dbraw/zinc/97/33/29/729973329.db2.gz RWIMRVNHGSQGHV-YGRLFVJLSA-N -1 3 362.239 3.147 20 0 FGADHM O=C(Cc1csc(-c2ccoc2)n1)OCc1cc(=O)[n-]c(C2CC2)n1 ZINC000837535284 730039282 /nfs/dbraw/zinc/03/92/82/730039282.db2.gz MPPYAGMFMBLTBH-UHFFFAOYSA-N -1 3 357.391 3.062 20 0 FGADHM COC[C@H]([N-]C(=O)C(F)(F)c1cccc(Cl)c1Cl)[C@@H]1CCCO1 ZINC000843588397 730634101 /nfs/dbraw/zinc/63/41/01/730634101.db2.gz YYUFQFWXMZWWIP-RYUDHWBXSA-N -1 3 368.207 3.395 20 0 FGADHM COCC[C@@H](COC)[N-]C(=O)C(F)(F)c1cccc(Cl)c1Cl ZINC000843597304 730634992 /nfs/dbraw/zinc/63/49/92/730634992.db2.gz FYCIFPOYZAKGJX-VIFPVBQESA-N -1 3 356.196 3.253 20 0 FGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCCC[C@H]1CC1(Cl)Cl ZINC000846588695 730966079 /nfs/dbraw/zinc/96/60/79/730966079.db2.gz STPFPYOISNMLAC-JTQLQIEISA-N -1 3 360.285 3.492 20 0 FGADHM CC(C)Oc1ccccc1C(F)(F)C(=O)[N-]Cc1nnc(C2CC2)o1 ZINC000847767084 731089076 /nfs/dbraw/zinc/08/90/76/731089076.db2.gz MERNECJAWUKEPO-UHFFFAOYSA-N -1 3 351.353 3.142 20 0 FGADHM CC(C)[C@H]([N-]S(=O)(=O)C[C@@H](C)CC(F)(F)F)c1nc(C2CC2)no1 ZINC000849373927 731253438 /nfs/dbraw/zinc/25/34/38/731253438.db2.gz VSEVRBZFADVNTO-ONGXEEELSA-N -1 3 369.409 3.152 20 0 FGADHM O=S(=O)([N-]C[C@]12OCCC[C@H]1C2(F)F)c1ccc2ccccc2c1F ZINC000849459300 731262043 /nfs/dbraw/zinc/26/20/43/731262043.db2.gz KKBOFRWEFLROOC-ZBFHGGJFSA-N -1 3 371.380 3.072 20 0 FGADHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N1CCC(C(=O)C(F)(F)F)CC1 ZINC000857183259 732109976 /nfs/dbraw/zinc/10/99/76/732109976.db2.gz DZJFSSOAKCQGJZ-UHFFFAOYSA-N -1 3 369.261 3.395 20 0 FGADHM Cn1nccc1[C@H]1CCCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)C1 ZINC000857245138 732114639 /nfs/dbraw/zinc/11/46/39/732114639.db2.gz MBQNYUIRFXCXRG-NSHDSACASA-N -1 3 353.344 3.164 20 0 FGADHM C/C(=C/C(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1)c1cccs1 ZINC000857262288 732116697 /nfs/dbraw/zinc/11/66/97/732116697.db2.gz CWELXYJRHVPFCF-NXIHDVOMSA-N -1 3 360.401 3.069 20 0 FGADHM O=S(=O)([N-][C@@H]1[C@@H]2Cc3c(cccc3Cl)[C@@H]21)c1cnc(Cl)c(F)c1 ZINC000859350487 732315632 /nfs/dbraw/zinc/31/56/32/732315632.db2.gz CCSDZKREMGWABC-DDTOSNHZSA-N -1 3 373.236 3.144 20 0 FGADHM C[C@@H](OC(=O)c1cc([O-])cc(Br)c1)C(=O)N1CCCCCC1 ZINC000860203213 732468218 /nfs/dbraw/zinc/46/82/18/732468218.db2.gz ZCTQUKDSKCDXCW-LLVKDONJSA-N -1 3 370.243 3.103 20 0 FGADHM COC(=O)c1cnc(SCC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)[n-]1 ZINC000863323289 732945367 /nfs/dbraw/zinc/94/53/67/732945367.db2.gz JSAYOOYXKOQEIC-IUCAKERBSA-N -1 3 350.362 3.226 20 0 FGADHM CO[C@@H](CS(=O)(=O)[N-]c1cnc(Cl)cc1C)c1ccc(F)cc1 ZINC000863406255 732959168 /nfs/dbraw/zinc/95/91/68/732959168.db2.gz ZFPFGJMHENOYQV-AWEZNQCLSA-N -1 3 358.822 3.312 20 0 FGADHM Cc1cc(CNCCc2cccc(C(=O)[O-])n2)c(Br)cc1F ZINC000864513708 733070406 /nfs/dbraw/zinc/07/04/06/733070406.db2.gz HHDZEBBOXIHKJI-UHFFFAOYSA-N -1 3 367.218 3.322 20 0 FGADHM Cc1nn(-c2ccc(Cl)cc2)c(C)c1CN[C@@H](COC(C)C)C(=O)[O-] ZINC000864517473 733071539 /nfs/dbraw/zinc/07/15/39/733071539.db2.gz GNSGTMJJTRTUMC-KRWDZBQOSA-N -1 3 365.861 3.110 20 0 FGADHM C[C@@H](CCc1ccc(F)cc1)C(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000864708782 733091729 /nfs/dbraw/zinc/09/17/29/733091729.db2.gz DKILWFRCCYVDPV-ZDUSSCGKSA-N -1 3 364.442 3.405 20 0 FGADHM COc1ccc2c(c1)CC[C@@H]2Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000866328956 733337163 /nfs/dbraw/zinc/33/71/63/733337163.db2.gz WZRCBPXTBJHMKH-INIZCTEOSA-N -1 3 362.451 3.175 20 0 FGADHM O=C(Cc1coc2c1ccc(Cl)c2Cl)NCCCc1cc(=O)[nH][n-]1 ZINC000868383661 733588454 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CC(C)NC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000024426977 494629214 /nfs/dbraw/zinc/62/92/14/494629214.db2.gz YOWFYWXUCVXMQW-UHFFFAOYSA-N -1 3 351.403 3.156 20 0 FGADHM O=S(=O)([N-]C[C@H]1CCN(c2ccc(F)cc2)C1)c1ccc(Cl)s1 ZINC000057101793 494643113 /nfs/dbraw/zinc/64/31/13/494643113.db2.gz QBPCJGJRMWUFLB-LLVKDONJSA-N -1 3 374.890 3.345 20 0 FGADHM CC(C)[C@@H]1CN(C(=O)NCc2ccc([O-])c(Br)c2)CCS1 ZINC000126121870 494643867 /nfs/dbraw/zinc/64/38/67/494643867.db2.gz XLWZMISOWZYCGF-AWEZNQCLSA-N -1 3 373.316 3.438 20 0 FGADHM CC(C)(C)c1ccc([O-])c(NC(=O)c2ccc(=O)n(-c3ccccc3)n2)c1 ZINC000024660435 494652187 /nfs/dbraw/zinc/65/21/87/494652187.db2.gz SEZFWKKVBZAZCM-UHFFFAOYSA-N -1 3 363.417 3.488 20 0 FGADHM Cc1nc(C[N-]S(=O)(=O)c2cccnc2)oc1-c1ccc(Cl)cc1 ZINC000126148261 494652197 /nfs/dbraw/zinc/65/21/97/494652197.db2.gz DXZQRFDXOIMAST-UHFFFAOYSA-N -1 3 363.826 3.177 20 0 FGADHM CC[C@H](C)CS(=O)(=O)[N-][C@@H](C)c1noc(-c2ccc(Cl)cc2)n1 ZINC000080279420 494663170 /nfs/dbraw/zinc/66/31/70/494663170.db2.gz ZMCWCMITIOIDFF-QWRGUYRKSA-N -1 3 357.863 3.417 20 0 FGADHM CSc1ncc(Cl)c(C(=O)[N-]c2cc(-c3cccc(F)c3)on2)n1 ZINC000574267233 505734384 /nfs/dbraw/zinc/73/43/84/505734384.db2.gz BTBBTOJLGXAVLD-UHFFFAOYSA-N -1 3 364.789 3.320 20 0 FGADHM CCC[C@@H](CC1CCCC1)C(=O)Nc1ccc(C[C@@H]2NC(=O)[N-]C2=O)cc1 ZINC000091754908 494667466 /nfs/dbraw/zinc/66/74/66/494667466.db2.gz BOXGYCWFFRHUQF-WMZOPIPTSA-N -1 3 371.481 3.372 20 0 FGADHM CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)c1ccc2n[n-]nc2c1 ZINC000047277037 494669604 /nfs/dbraw/zinc/66/96/04/494669604.db2.gz CRUYPCWJZIYHKM-UHFFFAOYSA-N -1 3 360.421 3.053 20 0 FGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)COc1cccc2ccccc21 ZINC000024884553 494675413 /nfs/dbraw/zinc/67/54/13/494675413.db2.gz ABLKCIMZMYEITG-UHFFFAOYSA-N -1 3 370.430 3.229 20 0 FGADHM Cc1cccc(OCCC(=O)Nc2ccccc2[N-]S(C)(=O)=O)c1C ZINC000024897335 494676673 /nfs/dbraw/zinc/67/66/73/494676673.db2.gz FJBFPSXTOUFKNH-UHFFFAOYSA-N -1 3 362.451 3.083 20 0 FGADHM Cc1ccc(OCCC(=O)Nc2ccccc2[N-]S(C)(=O)=O)c(C)c1 ZINC000024897115 494676684 /nfs/dbraw/zinc/67/66/84/494676684.db2.gz XOGPNTPLVBCYRP-UHFFFAOYSA-N -1 3 362.451 3.083 20 0 FGADHM CC(C)(C)[C@H]1CCCC[C@@H]1NC(=O)CCn1[n-]c(=O)c2ccccc2c1=O ZINC000025091988 494700008 /nfs/dbraw/zinc/70/00/08/494700008.db2.gz AHJYCKUNKURUQG-IRXDYDNUSA-N -1 3 371.481 3.213 20 0 FGADHM C[C@@H](c1cccnc1)N(C)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000126311647 494705818 /nfs/dbraw/zinc/70/58/18/494705818.db2.gz GKLRQIHTAXRIHM-NSHDSACASA-N -1 3 364.243 3.452 20 0 FGADHM C[C@H](c1cccnc1)N(C)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000126311909 494705922 /nfs/dbraw/zinc/70/59/22/494705922.db2.gz GKLRQIHTAXRIHM-LLVKDONJSA-N -1 3 364.243 3.452 20 0 FGADHM CCCN(CC(=O)Nc1ccccc1C)C(=O)c1cccc(OC)c1[O-] ZINC000126324267 494711228 /nfs/dbraw/zinc/71/12/28/494711228.db2.gz RSTXGOXLKDYXDX-UHFFFAOYSA-N -1 3 356.422 3.200 20 0 FGADHM Cc1cc([N-]C(=O)[C@@H](C)N(C)Cc2ccccc2OC(F)(F)F)on1 ZINC000025255244 494715003 /nfs/dbraw/zinc/71/50/03/494715003.db2.gz AYLNNMSKZAHDEQ-LLVKDONJSA-N -1 3 357.332 3.341 20 0 FGADHM Cc1cccn2c(CN3CCC(C(=O)Nc4ccccc4[O-])CC3)cnc12 ZINC000121376100 494727754 /nfs/dbraw/zinc/72/77/54/494727754.db2.gz PWUSIJSYMCKIIB-UHFFFAOYSA-N -1 3 364.449 3.199 20 0 FGADHM Cc1nc(S[C@@H](C)C(=O)c2ccc([N-]S(C)(=O)=O)cc2)oc1C ZINC000047558616 494734700 /nfs/dbraw/zinc/73/47/00/494734700.db2.gz AAOSLOPRBIXERH-NSHDSACASA-N -1 3 354.453 3.026 20 0 FGADHM CCc1ccc(S(=O)(=O)[N-]c2ccc(OCc3nccn3C)cc2)cc1 ZINC000108639302 494754636 /nfs/dbraw/zinc/75/46/36/494754636.db2.gz ALLLXNTUVKCZJN-UHFFFAOYSA-N -1 3 371.462 3.362 20 0 FGADHM CCOC(=O)c1c(C)csc1[N-]C(=O)c1ncn(-c2ccccc2)n1 ZINC000092815026 494761980 /nfs/dbraw/zinc/76/19/80/494761980.db2.gz AQHWISQIWRRFQE-UHFFFAOYSA-N -1 3 356.407 3.066 20 0 FGADHM CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)CNC(=O)c2ccc([O-])cc2)o1 ZINC000075496849 494777271 /nfs/dbraw/zinc/77/72/71/494777271.db2.gz HPUQFPIRCNSRJH-RDTXWAMCSA-N -1 3 370.449 3.277 20 0 FGADHM C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)C1 ZINC000075503171 494779653 /nfs/dbraw/zinc/77/96/53/494779653.db2.gz HVKRPVLAHRPHHA-DIFFPNOSSA-N -1 3 367.380 3.324 20 0 FGADHM COc1ccc([O-])c(C(=O)N2CCC(OCc3ccc(F)cc3)CC2)c1 ZINC000092074978 494780981 /nfs/dbraw/zinc/78/09/81/494780981.db2.gz LKEBACYELDPVKR-UHFFFAOYSA-N -1 3 359.397 3.361 20 0 FGADHM O=C(N[C@H](c1c[nH]c2ccccc21)C(F)(F)F)c1cccc2nn[n-]c21 ZINC000574301553 505741666 /nfs/dbraw/zinc/74/16/66/505741666.db2.gz OISCTCQUANKGBA-OAHLLOKOSA-N -1 3 359.311 3.473 20 0 FGADHM O=C(N[C@H](c1c[nH]c2ccccc21)C(F)(F)F)c1cccc2[n-]nnc21 ZINC000574301553 505741669 /nfs/dbraw/zinc/74/16/69/505741669.db2.gz OISCTCQUANKGBA-OAHLLOKOSA-N -1 3 359.311 3.473 20 0 FGADHM O=C(N[C@H](c1c[nH]c2ccccc21)C(F)(F)F)c1cccc2n[n-]nc21 ZINC000574301553 505741672 /nfs/dbraw/zinc/74/16/72/505741672.db2.gz OISCTCQUANKGBA-OAHLLOKOSA-N -1 3 359.311 3.473 20 0 FGADHM C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)C1 ZINC000075534431 494787621 /nfs/dbraw/zinc/78/76/21/494787621.db2.gz LAWDDPOSYXSKAP-GTNSWQLSSA-N -1 3 367.380 3.324 20 0 FGADHM C[C@@H]1CCN(C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)[C@H](c2ccco2)C1 ZINC000075546860 494791176 /nfs/dbraw/zinc/79/11/76/494791176.db2.gz KYFRCGFJTDRCPM-ABAIWWIYSA-N -1 3 353.378 3.168 20 0 FGADHM O=C(NCc1csc(CCc2ccccc2)n1)c1c([O-])cccc1O ZINC000092124245 494797396 /nfs/dbraw/zinc/79/73/96/494797396.db2.gz JJQXBYANSRYCQB-UHFFFAOYSA-N -1 3 354.431 3.270 20 0 FGADHM CCn1c(CN2CC[C@@](C(=O)[O-])(c3ccccc3)C2)nc2c1cccc2F ZINC000568641681 505743351 /nfs/dbraw/zinc/74/33/51/505743351.db2.gz QFYJHEPAEUXIBE-NRFANRHFSA-N -1 3 367.424 3.424 20 0 FGADHM CCCc1nc(=NC(=O)N(CC)Cc2ccc(CN(C)C)cc2)s[n-]1 ZINC000571485274 505743769 /nfs/dbraw/zinc/74/37/69/505743769.db2.gz MJWDKSRBLIWCJA-UHFFFAOYSA-N -1 3 361.515 3.028 20 0 FGADHM Cc1cc(F)ccc1S(=O)(=O)[N-]c1cccc(C[S@@](C)=O)c1C ZINC000116712330 494842698 /nfs/dbraw/zinc/84/26/98/494842698.db2.gz WTJOYQMTPXBMJD-QFIPXVFZSA-N -1 3 355.456 3.122 20 0 FGADHM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-]C[C@H](C)c1ccc(C)cc1 ZINC000132325357 494857040 /nfs/dbraw/zinc/85/70/40/494857040.db2.gz DLEFRLOMHCLUTD-ZDUSSCGKSA-N -1 3 365.426 3.003 20 0 FGADHM Cc1cccc(C)c1[C@H](C)[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC000577536124 505747032 /nfs/dbraw/zinc/74/70/32/505747032.db2.gz UNLAQSHFKHABCB-NSHDSACASA-N -1 3 361.389 3.095 20 0 FGADHM CC[C@H](C)[C@@H](C(=O)NCCCNC(=O)c1cccc([O-])c1)c1ccccc1 ZINC000116975808 494878106 /nfs/dbraw/zinc/87/81/06/494878106.db2.gz IPEYXIPBNXEJPN-OXJNMPFZSA-N -1 3 368.477 3.458 20 0 FGADHM O=C(NCCCNC(=O)c1cccc([O-])c1)c1cc2c(s1)CCCCC2 ZINC000121891320 494883004 /nfs/dbraw/zinc/88/30/04/494883004.db2.gz JXXKEZNRWWXXFE-UHFFFAOYSA-N -1 3 372.490 3.273 20 0 FGADHM CS(=O)(=O)[N-]c1cc(-c2nc(-c3ccc(F)c(F)c3)no2)ccc1F ZINC000109536836 494886741 /nfs/dbraw/zinc/88/67/41/494886741.db2.gz LINBHFJVDAAXCJ-UHFFFAOYSA-N -1 3 369.324 3.192 20 0 FGADHM O=C(CSc1n[n-]c(-c2ccccn2)n1)N(Cc1ccccc1)C1CC1 ZINC000117114365 494892276 /nfs/dbraw/zinc/89/22/76/494892276.db2.gz UUMTUIIQFDWVNL-UHFFFAOYSA-N -1 3 365.462 3.150 20 0 FGADHM O=C(Nc1n[n-]c(-c2ccccc2F)n1)c1cnn(Cc2ccccc2)c1 ZINC000109624581 494897973 /nfs/dbraw/zinc/89/79/73/494897973.db2.gz REAQEHQYSMGFSC-UHFFFAOYSA-N -1 3 362.368 3.108 20 0 FGADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1cnc(C(F)(F)F)nc1 ZINC000132734976 494916162 /nfs/dbraw/zinc/91/61/62/494916162.db2.gz RJYMKCBPOISZQF-UHFFFAOYSA-N -1 3 351.206 3.472 20 0 FGADHM CCc1ccc([O-])c(C(=O)N2CCC[C@@H](C(=O)Nc3ccc(C)cn3)C2)c1 ZINC000109814672 494921053 /nfs/dbraw/zinc/92/10/53/494921053.db2.gz NPSIJAZOFHHOPP-MRXNPFEDSA-N -1 3 367.449 3.149 20 0 FGADHM CCCS(=O)(=O)[N-]c1ccc(C(=O)Nc2cc(F)ccc2OC)cc1 ZINC000093789620 494921450 /nfs/dbraw/zinc/92/14/50/494921450.db2.gz CODZROXZWCLZKD-UHFFFAOYSA-N -1 3 366.414 3.238 20 0 FGADHM CC(C)(C)c1ccc(C(=O)NCCC(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000132802039 494926242 /nfs/dbraw/zinc/92/62/42/494926242.db2.gz PWGSCVWLWXNNRT-UHFFFAOYSA-N -1 3 372.440 3.265 20 0 FGADHM CCSCc1ccc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000109876164 494928690 /nfs/dbraw/zinc/92/86/90/494928690.db2.gz QVDHRMOZEKSPEL-UHFFFAOYSA-N -1 3 353.451 3.050 20 0 FGADHM CCSCc1ccc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000109876164 494928692 /nfs/dbraw/zinc/92/86/92/494928692.db2.gz QVDHRMOZEKSPEL-UHFFFAOYSA-N -1 3 353.451 3.050 20 0 FGADHM CC(C)c1cccc(O[C@@H](C)C(=O)NCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000109875141 494928755 /nfs/dbraw/zinc/92/87/55/494928755.db2.gz BGMXIHKPHMHCKX-AWEZNQCLSA-N -1 3 365.437 3.074 20 0 FGADHM CC(C)c1cccc(O[C@@H](C)C(=O)NCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000109875141 494928758 /nfs/dbraw/zinc/92/87/58/494928758.db2.gz BGMXIHKPHMHCKX-AWEZNQCLSA-N -1 3 365.437 3.074 20 0 FGADHM CC(C)Sc1ccccc1C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000110001603 494939137 /nfs/dbraw/zinc/93/91/37/494939137.db2.gz AYJLTPPYPGOIAL-UHFFFAOYSA-N -1 3 353.451 3.297 20 0 FGADHM CC(C)Sc1ccccc1C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000110001603 494939140 /nfs/dbraw/zinc/93/91/40/494939140.db2.gz AYJLTPPYPGOIAL-UHFFFAOYSA-N -1 3 353.451 3.297 20 0 FGADHM CNC(=O)c1cc(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)ccc1Cl ZINC000094020809 494940886 /nfs/dbraw/zinc/94/08/86/494940886.db2.gz CNNFVTZFPDJPRS-UHFFFAOYSA-N -1 3 374.824 3.371 20 0 FGADHM CC(C)(C)OC(=O)c1cccc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000094085014 494947251 /nfs/dbraw/zinc/94/72/51/494947251.db2.gz XXTWQXAJVZLBQW-UHFFFAOYSA-N -1 3 365.393 3.074 20 0 FGADHM CC(C)(C)OC(=O)c1cccc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000094085014 494947254 /nfs/dbraw/zinc/94/72/54/494947254.db2.gz XXTWQXAJVZLBQW-UHFFFAOYSA-N -1 3 365.393 3.074 20 0 FGADHM O=C(Nc1ccccc1[O-])[C@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000127472396 494949445 /nfs/dbraw/zinc/94/94/45/494949445.db2.gz SIWAQYRFDPFSBC-CQSZACIVSA-N -1 3 362.838 3.199 20 0 FGADHM CCc1ccc([O-])c(C(=O)N[C@H](c2noc(C)n2)c2ccccc2OC)c1 ZINC000094149323 494953926 /nfs/dbraw/zinc/95/39/26/494953926.db2.gz PDYINLWMBPUTAG-SFHVURJKSA-N -1 3 367.405 3.174 20 0 FGADHM 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ZINC000125049500 495383343 /nfs/dbraw/zinc/38/33/43/495383343.db2.gz AKMDKEQKFVBPDU-UHFFFAOYSA-N -1 3 356.463 3.286 20 0 FGADHM CCCc1ccccc1NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000136532464 495385621 /nfs/dbraw/zinc/38/56/21/495385621.db2.gz LLRSLRKJHXCJLC-UHFFFAOYSA-N -1 3 367.449 3.335 20 0 FGADHM CCc1ccc([O-])c(C(=O)Nc2ccc(OCc3nc(C)no3)cc2)c1 ZINC000114544702 495391008 /nfs/dbraw/zinc/39/10/08/495391008.db2.gz LZNAKUVZDWFJIM-UHFFFAOYSA-N -1 3 353.378 3.477 20 0 FGADHM O=C([N-]c1nnc(C(F)(F)F)s1)c1c[nH]nc1-c1ccccc1F ZINC000125182270 495402778 /nfs/dbraw/zinc/40/27/78/495402778.db2.gz NOTULROTBJOJIQ-UHFFFAOYSA-N -1 3 357.292 3.338 20 0 FGADHM O=C(c1c[n-]c2ccccc2c1=O)N1CC[C@H](Oc2ccccc2Cl)C1 ZINC000120562651 495406131 /nfs/dbraw/zinc/40/61/31/495406131.db2.gz JZPAIPFQBILPLA-ZDUSSCGKSA-N -1 3 368.820 3.475 20 0 FGADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)[C@H]1C[C@]12CCCc1ccccc12 ZINC000120660975 495429416 /nfs/dbraw/zinc/42/94/16/495429416.db2.gz IKTIHGKBDSRVGP-NQIIRXRSSA-N -1 3 359.433 3.023 20 0 FGADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)[C@H]1C[C@]12CCCc1ccccc12 ZINC000120660975 495429420 /nfs/dbraw/zinc/42/94/20/495429420.db2.gz IKTIHGKBDSRVGP-NQIIRXRSSA-N -1 3 359.433 3.023 20 0 FGADHM CC(C)C(=O)N1CCC(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)CC1 ZINC000125372906 495434265 /nfs/dbraw/zinc/43/42/65/495434265.db2.gz OWVINQBEDLEBBF-UHFFFAOYSA-N -1 3 358.360 3.244 20 0 FGADHM CCOc1ccc(NC(=O)CCSc2n[n-]c(-c3ccccn3)n2)cc1 ZINC000120688063 495435434 /nfs/dbraw/zinc/43/54/34/495435434.db2.gz HCAUYZZVPZDUDU-UHFFFAOYSA-N -1 3 369.450 3.386 20 0 FGADHM Cc1nn2c(nnc2SCc2ncc(-c3cccc(Cl)c3)o2)[n-]c1=O ZINC000114860714 495436505 /nfs/dbraw/zinc/43/65/05/495436505.db2.gz NETYSWIXNCJFRN-UHFFFAOYSA-N -1 3 374.813 3.134 20 0 FGADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1ccc(F)cc1C(F)(F)F ZINC000120695267 495437313 /nfs/dbraw/zinc/43/73/13/495437313.db2.gz USICKTWNTQEIDF-UHFFFAOYSA-N -1 3 365.290 3.201 20 0 FGADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1ccc(F)cc1C(F)(F)F ZINC000120695267 495437316 /nfs/dbraw/zinc/43/73/16/495437316.db2.gz USICKTWNTQEIDF-UHFFFAOYSA-N -1 3 365.290 3.201 20 0 FGADHM Cc1ccc(Br)c(C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)c1 ZINC000120726739 495444310 /nfs/dbraw/zinc/44/43/10/495444310.db2.gz AENXBSSNLCLDOD-UHFFFAOYSA-N -1 3 372.226 3.114 20 0 FGADHM Cc1ccc(Br)c(C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)c1 ZINC000120726739 495444313 /nfs/dbraw/zinc/44/43/13/495444313.db2.gz AENXBSSNLCLDOD-UHFFFAOYSA-N -1 3 372.226 3.114 20 0 FGADHM Cc1cc(C)c(C)c(OCCC(=O)Nc2ccc(Cc3nnn[n-]3)cc2)c1 ZINC000120801343 495460811 /nfs/dbraw/zinc/46/08/11/495460811.db2.gz JOEDHPHRRVZSEA-UHFFFAOYSA-N -1 3 365.437 3.123 20 0 FGADHM Cc1cc(C)c(C)c(OCCC(=O)Nc2ccc(Cc3nn[n-]n3)cc2)c1 ZINC000120801343 495460814 /nfs/dbraw/zinc/46/08/14/495460814.db2.gz JOEDHPHRRVZSEA-UHFFFAOYSA-N -1 3 365.437 3.123 20 0 FGADHM Cc1nc(-c2ccccc2)oc1C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000120802651 495461113 /nfs/dbraw/zinc/46/11/13/495461113.db2.gz QHIBMFRPMSQCKQ-UHFFFAOYSA-N -1 3 360.377 3.006 20 0 FGADHM Cc1nc(-c2ccccc2)oc1C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000120802651 495461116 /nfs/dbraw/zinc/46/11/16/495461116.db2.gz QHIBMFRPMSQCKQ-UHFFFAOYSA-N -1 3 360.377 3.006 20 0 FGADHM CCC[C@H]1CCCN(Cc2nc(=O)c3c(C)c(C(=O)OC)sc3[n-]2)C1 ZINC000120855594 495472139 /nfs/dbraw/zinc/47/21/39/495472139.db2.gz GKYOCPCSRIXKSE-LBPRGKRZSA-N -1 3 363.483 3.092 20 0 FGADHM C[C@@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000131031264 495482526 /nfs/dbraw/zinc/48/25/26/495482526.db2.gz ZETBLNDIGIWDRV-JTQLQIEISA-N -1 3 371.817 3.233 20 0 FGADHM COc1cccc([C@@H]2C[C@@H]2C(=O)Nc2n[n-]c(-c3ccccc3OC)n2)c1 ZINC000106749429 495492181 /nfs/dbraw/zinc/49/21/81/495492181.db2.gz RRMCUSIOZWZBOV-HOTGVXAUSA-N -1 3 364.405 3.231 20 0 FGADHM Cc1c(Cl)cc(NC(=O)C(=O)NCc2ccc([O-])c(F)c2)cc1Cl ZINC000120964464 495493863 /nfs/dbraw/zinc/49/38/63/495493863.db2.gz ARBHOCFUBBWDLX-UHFFFAOYSA-N -1 3 371.195 3.401 20 0 FGADHM CCc1cc(=O)[n-]c(CS[C@@H](C)C(=O)Nc2ccc(F)c(F)c2)n1 ZINC000125798261 495500683 /nfs/dbraw/zinc/50/06/83/495500683.db2.gz YVPYURHJRDNSDU-VIFPVBQESA-N -1 3 353.394 3.283 20 0 FGADHM Cc1ccc(-c2nc(SCC(=O)Nc3cc(F)ccc3[O-])n[nH]2)cc1 ZINC000131236576 495510006 /nfs/dbraw/zinc/51/00/06/495510006.db2.gz DKMSVRNFOIHQKE-UHFFFAOYSA-N -1 3 358.398 3.356 20 0 FGADHM C[C@H]1CCC[C@@H](CCNC(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)C1 ZINC000115488727 495510581 /nfs/dbraw/zinc/51/05/81/495510581.db2.gz NAMRWYWOBSSWPA-STQMWFEESA-N -1 3 356.463 3.143 20 0 FGADHM C[C@H]1Oc2cc(F)ccc2[C@@H]1[N-]S(=O)(=O)c1cnc2ccccc2c1 ZINC000571668906 505786793 /nfs/dbraw/zinc/78/67/93/505786793.db2.gz XUBGMRWJHWDAJG-ADLMAVQZSA-N -1 3 358.394 3.174 20 0 FGADHM Cc1cc(C(=O)Nc2nnc(-c3ccccn3)[n-]2)cc(C)c1OC(F)F ZINC000107566565 495529056 /nfs/dbraw/zinc/52/90/56/495529056.db2.gz KQVKOTCALOWHTJ-UHFFFAOYSA-N -1 3 359.336 3.337 20 0 FGADHM Cc1cc(C(=O)Nc2nc(-c3ccccn3)n[n-]2)cc(C)c1OC(F)F ZINC000107566565 495529057 /nfs/dbraw/zinc/52/90/57/495529057.db2.gz KQVKOTCALOWHTJ-UHFFFAOYSA-N -1 3 359.336 3.337 20 0 FGADHM Cc1cc(C(=O)Nc2n[n-]c(-c3ccccn3)n2)cc(C)c1OC(F)F ZINC000107566565 495529058 /nfs/dbraw/zinc/52/90/58/495529058.db2.gz KQVKOTCALOWHTJ-UHFFFAOYSA-N -1 3 359.336 3.337 20 0 FGADHM O=C(Cc1ccc([O-])cc1Cl)N(C[C@@H]1CCCO1)[C@@H]1CCSC1 ZINC000182386356 495543425 /nfs/dbraw/zinc/54/34/25/495543425.db2.gz GTTOORGOZFTUBW-HIFRSBDPSA-N -1 3 355.887 3.101 20 0 FGADHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(-n3cnnc3C)c2)c(C)c1 ZINC000179331567 495545403 /nfs/dbraw/zinc/54/54/03/495545403.db2.gz ZLCAIMZOLMDTBV-UHFFFAOYSA-N -1 3 372.450 3.084 20 0 FGADHM CCc1noc(C)c1[N-]C(=O)c1cn(-c2ccccc2C(F)(F)F)nn1 ZINC000179334842 495547768 /nfs/dbraw/zinc/54/77/68/495547768.db2.gz KWQDBPQGBYQNCP-UHFFFAOYSA-N -1 3 365.315 3.397 20 0 FGADHM Cc1ccc([C@@H]2CN(C(=O)c3c[n-]c4c(C)cc(F)cc4c3=O)CCO2)o1 ZINC000154233568 495552343 /nfs/dbraw/zinc/55/23/43/495552343.db2.gz YDZIOSITJGKZGA-KRWDZBQOSA-N -1 3 370.380 3.091 20 0 FGADHM O=C(Nc1ccccc1N1CCC(O)CC1)c1ccc2c(c1[O-])CCCC2 ZINC000185372873 495553134 /nfs/dbraw/zinc/55/31/34/495553134.db2.gz PYNNPVXKRMDSTC-UHFFFAOYSA-N -1 3 366.461 3.484 20 0 FGADHM CCC(CC)c1cc(C[N-]S(=O)(=O)c2cccc(C(C)=O)c2)on1 ZINC000173495000 495557368 /nfs/dbraw/zinc/55/73/68/495557368.db2.gz GXXDFETVERWICI-UHFFFAOYSA-N -1 3 350.440 3.259 20 0 FGADHM COc1ccc(C[C@H](C)C(=O)Nc2n[n-]c(-c3ccccc3OC)n2)cc1 ZINC000158713212 495573358 /nfs/dbraw/zinc/57/33/58/495573358.db2.gz AUPQVPXBNFRPAG-ZDUSSCGKSA-N -1 3 366.421 3.306 20 0 FGADHM Cc1noc(C)c1[C@H](C)C[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000158794206 495589686 /nfs/dbraw/zinc/58/96/86/495589686.db2.gz CLEUSGGUEWESMR-SSDOTTSWSA-N -1 3 364.254 3.075 20 0 FGADHM CSC1(C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)CCOCC1 ZINC000173570463 495594092 /nfs/dbraw/zinc/59/40/92/495594092.db2.gz NCGLVXAHXYJPMT-UHFFFAOYSA-N -1 3 370.323 3.184 20 0 FGADHM CC(C)Nc1cccc(F)c1[N-]S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000158868937 495604563 /nfs/dbraw/zinc/60/45/63/495604563.db2.gz SYDDDLHQILEEND-UHFFFAOYSA-N -1 3 350.415 3.382 20 0 FGADHM CCc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC)cc2Cl)cc1 ZINC000158883272 495608110 /nfs/dbraw/zinc/60/81/10/495608110.db2.gz PLVTYZYACNLBFC-UHFFFAOYSA-N -1 3 352.843 3.063 20 0 FGADHM C[C@H](CNC(=O)c1cccc([O-])c1)Oc1ccccc1Br ZINC000182560786 495615513 /nfs/dbraw/zinc/61/55/13/495615513.db2.gz BHHAAOIBLABIGR-LLVKDONJSA-N -1 3 350.212 3.352 20 0 FGADHM CCOC(=O)c1sc(NC(=O)c2cc(-c3ccc(C)o3)[n-]n2)nc1C ZINC000176355833 495616745 /nfs/dbraw/zinc/61/67/45/495616745.db2.gz ISYGXVOOHQOTSS-UHFFFAOYSA-N -1 3 360.395 3.172 20 0 FGADHM CCOC(=O)c1sc(NC(=O)c2cc(-c3ccc(C)o3)n[n-]2)nc1C ZINC000176355833 495616751 /nfs/dbraw/zinc/61/67/51/495616751.db2.gz ISYGXVOOHQOTSS-UHFFFAOYSA-N -1 3 360.395 3.172 20 0 FGADHM O=C(c1cccc([O-])c1)N1C[C@@H](CCN2CCCC2=O)c2ccccc21 ZINC000182576362 495622563 /nfs/dbraw/zinc/62/25/63/495622563.db2.gz WDSYRUDKUVBMEV-MRXNPFEDSA-N -1 3 350.418 3.149 20 0 FGADHM CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)CCc2c(C)nc(C)[n-]c2=O)o1 ZINC000173636558 495625892 /nfs/dbraw/zinc/62/58/92/495625892.db2.gz 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ZINC000173719549 495661829 /nfs/dbraw/zinc/66/18/29/495661829.db2.gz SMTKRLXKWWKJIC-KRWDZBQOSA-N -1 3 356.813 3.295 20 0 FGADHM COc1ccc([C@H](NC(=O)c2cnn[n-]2)c2ccccc2Cl)c(C)c1 ZINC000173719549 495661832 /nfs/dbraw/zinc/66/18/32/495661832.db2.gz SMTKRLXKWWKJIC-KRWDZBQOSA-N -1 3 356.813 3.295 20 0 FGADHM COc1ccc([C@H](NC(=O)c2cn[n-]n2)c2ccccc2Cl)c(C)c1 ZINC000173719549 495661841 /nfs/dbraw/zinc/66/18/41/495661841.db2.gz SMTKRLXKWWKJIC-KRWDZBQOSA-N -1 3 356.813 3.295 20 0 FGADHM CCCn1c(=O)[n-]nc1S[C@H](C)c1nc(Cc2ccc(F)cc2)no1 ZINC000150883657 495667731 /nfs/dbraw/zinc/66/77/31/495667731.db2.gz GMJWWVFBYUIWSA-SNVBAGLBSA-N -1 3 363.418 3.360 20 0 FGADHM CCc1cccc(S(=O)(=O)[N-]c2ccc(OCc3noc(C)n3)cc2)c1 ZINC000176489724 495670254 /nfs/dbraw/zinc/67/02/54/495670254.db2.gz WBHLRYVFICZLRI-UHFFFAOYSA-N -1 3 373.434 3.320 20 0 FGADHM O=C(N[C@H]1CCO[C@H]1c1ccc(F)c(F)c1)c1c[n-]c2ccccc2c1=O ZINC000182721039 495676983 /nfs/dbraw/zinc/67/69/83/495676983.db2.gz TVEIRSKRIRNLJC-HKUYNNGSSA-N -1 3 370.355 3.066 20 0 FGADHM O=C(Nc1cc(Br)ccc1[O-])c1ccnc(OCC(F)F)c1 ZINC000179653906 495677686 /nfs/dbraw/zinc/67/76/86/495677686.db2.gz WIDVNAIHAHYNGB-UHFFFAOYSA-N -1 3 373.153 3.446 20 0 FGADHM COc1ccc([C@@H](C)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)c(F)c1 ZINC000182729662 495679603 /nfs/dbraw/zinc/67/96/03/495679603.db2.gz QIZJAHJUIIRKNL-LLVKDONJSA-N -1 3 368.430 3.388 20 0 FGADHM CC[C@H](C(=O)Nc1nc2cccc(C(=O)OC)c2[n-]1)c1c(C)noc1C ZINC000159269733 495697566 /nfs/dbraw/zinc/69/75/66/495697566.db2.gz PKFSJJOVGNKWRZ-NSHDSACASA-N -1 3 356.382 3.087 20 0 FGADHM CC[C@H](C(=O)Nc1nc2c(cccc2C(=O)OC)[n-]1)c1c(C)noc1C ZINC000159269733 495697570 /nfs/dbraw/zinc/69/75/70/495697570.db2.gz PKFSJJOVGNKWRZ-NSHDSACASA-N -1 3 356.382 3.087 20 0 FGADHM CCOC(=O)C(C)(C)C(=O)[N-]c1cc(-c2ccc(OC(F)F)cc2)no1 ZINC000179706997 495697903 /nfs/dbraw/zinc/69/79/03/495697903.db2.gz ODQQZOPCWNLSNN-UHFFFAOYSA-N -1 3 368.336 3.471 20 0 FGADHM C[C@H](c1nc(-c2ccccc2)no1)[S@@](=O)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000574546831 505798544 /nfs/dbraw/zinc/79/85/44/505798544.db2.gz UEDIATUXHCAKDF-QYOLQKOISA-N -1 3 370.434 3.120 20 0 FGADHM Cc1cnn(-c2ccc(NCc3nc(C(F)(F)F)cc(=O)[n-]3)cc2F)c1 ZINC000179765573 495724918 /nfs/dbraw/zinc/72/49/18/495724918.db2.gz BRIIDSPGHIBQRD-UHFFFAOYSA-N -1 3 367.306 3.446 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)c3cnc(-c4ccco4)s3)[n-]c21 ZINC000179776569 495730284 /nfs/dbraw/zinc/73/02/84/495730284.db2.gz GZYQNZHLJJAVKO-UHFFFAOYSA-N -1 3 368.374 3.318 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cnc(-c4ccco4)s3)nc21 ZINC000179776569 495730292 /nfs/dbraw/zinc/73/02/92/495730292.db2.gz GZYQNZHLJJAVKO-UHFFFAOYSA-N -1 3 368.374 3.318 20 0 FGADHM CC(=O)c1cnc([N-]C(=O)c2cc(COc3ccccc3F)on2)s1 ZINC000185820349 495737497 /nfs/dbraw/zinc/73/74/97/495737497.db2.gz XQBQEKCGQGFTCD-UHFFFAOYSA-N -1 3 361.354 3.304 20 0 FGADHM C[C@H]1CC[C@H](C)N1C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000176658232 495737626 /nfs/dbraw/zinc/73/76/26/495737626.db2.gz KVGKMFHIWQSULA-RYUDHWBXSA-N -1 3 371.478 3.307 20 0 FGADHM Cc1cc(Cl)cc(NC(=O)[C@H]2CSCN2C(=O)C(C)(C)C)c1[O-] ZINC000179804912 495740126 /nfs/dbraw/zinc/74/01/26/495740126.db2.gz JCHNBJBBZZEEHH-GFCCVEGCSA-N -1 3 356.875 3.240 20 0 FGADHM Cc1cc(F)cc(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCCO3)c1 ZINC000176679879 495744961 /nfs/dbraw/zinc/74/49/61/495744961.db2.gz WRMXTALLHJOYQM-UHFFFAOYSA-N -1 3 357.790 3.360 20 0 FGADHM O=C(c1cn(-c2cccc(Cl)c2F)nn1)N1CCCc2cccc([O-])c21 ZINC000182901928 495749090 /nfs/dbraw/zinc/74/90/90/495749090.db2.gz CAYMCKIPFFBFTI-UHFFFAOYSA-N -1 3 372.787 3.358 20 0 FGADHM Cc1nn(CC(F)(F)F)c(C)c1CC(=O)N1CCCc2cccc([O-])c21 ZINC000182902746 495749417 /nfs/dbraw/zinc/74/94/17/495749417.db2.gz GKYXTRWYCMBLIT-UHFFFAOYSA-N -1 3 367.371 3.290 20 0 FGADHM CN1C[C@@H](C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)CC1=O ZINC000179932687 495789651 /nfs/dbraw/zinc/78/96/51/495789651.db2.gz IFTFVWHACNFTIN-NSHDSACASA-N -1 3 367.430 3.086 20 0 FGADHM Cc1ccc(F)c(S(=O)(=O)[N-]CCc2nc(C(F)(F)F)cs2)c1 ZINC000174033364 495795743 /nfs/dbraw/zinc/79/57/43/495795743.db2.gz PAKPZNKVIYEVKB-UHFFFAOYSA-N -1 3 368.377 3.130 20 0 FGADHM CN(Cc1ccc([S@@](C)=O)cc1)C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000183047748 495811917 /nfs/dbraw/zinc/81/19/17/495811917.db2.gz OXAMXKJEQCWQJS-RUZDIDTESA-N -1 3 357.475 3.281 20 0 FGADHM Cc1cccc(S(=O)(=O)[N-]c2ccc(OCCN(C)C)cc2)c1Cl ZINC000180009405 495821017 /nfs/dbraw/zinc/82/10/17/495821017.db2.gz NPWAQBQAYFVLJZ-UHFFFAOYSA-N -1 3 368.886 3.390 20 0 FGADHM Cc1nc(C)c(CCC(=O)Nc2ccc(Cl)cc2OC(F)F)c(=O)[n-]1 ZINC000186016967 495822364 /nfs/dbraw/zinc/82/23/64/495822364.db2.gz DQMQWIJDZYAVEX-UHFFFAOYSA-N -1 3 371.771 3.213 20 0 FGADHM Cn1cnnc1[C@H]1CCCN1C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000180032298 495831551 /nfs/dbraw/zinc/83/15/51/495831551.db2.gz AZPLBUURNNTYSA-QGZVFWFLSA-N -1 3 364.405 3.290 20 0 FGADHM COC(C)(C)C[C@@H](C)[N-]S(=O)(=O)c1cc(C)c(Br)s1 ZINC000176942675 495850373 /nfs/dbraw/zinc/85/03/73/495850373.db2.gz HLPSUBKOJYLTLP-SECBINFHSA-N -1 3 370.334 3.301 20 0 FGADHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-][C@H](C)c1ccc(F)cc1F ZINC000568918265 505807678 /nfs/dbraw/zinc/80/76/78/505807678.db2.gz DDHQGWYICOHGLI-MRVPVSSYSA-N -1 3 373.377 3.001 20 0 FGADHM C[C@@H](CS(=O)(=O)[N-]Cc1nc(C(F)(F)F)cs1)c1ccccc1 ZINC000151486107 495854258 /nfs/dbraw/zinc/85/42/58/495854258.db2.gz DDLOFBQJLJPTAD-JTQLQIEISA-N -1 3 364.414 3.385 20 0 FGADHM Cc1nc(C)c(S(=O)(=O)[N-][C@H](C)c2nc(C3CCCCC3)no2)s1 ZINC000176957823 495857193 /nfs/dbraw/zinc/85/71/93/495857193.db2.gz XUXGJMBJSJXRAH-SECBINFHSA-N -1 3 370.500 3.230 20 0 FGADHM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]CCC[C@@H]2CCCCO2)c1 ZINC000186156323 495876020 /nfs/dbraw/zinc/87/60/20/495876020.db2.gz ZAWSSOCQCJOZEA-AWEZNQCLSA-N -1 3 359.875 3.170 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3cccc(-c4nc[nH]n4)c3)c[n-]c12 ZINC000151557697 495877605 /nfs/dbraw/zinc/87/76/05/495877605.db2.gz ALSKMMKVUGCEQE-UHFFFAOYSA-N -1 3 363.352 3.013 20 0 FGADHM CCc1nc(CC(=O)NCc2ccc([O-])c(Br)c2)cs1 ZINC000151608601 495892451 /nfs/dbraw/zinc/89/24/51/495892451.db2.gz BUGABNLIHZKWAD-UHFFFAOYSA-N -1 3 355.257 3.033 20 0 FGADHM O=C(C1CCN(Cc2cc([O-])cc(F)c2)CC1)N1CCc2ccccc21 ZINC000186197917 495892622 /nfs/dbraw/zinc/89/26/22/495892622.db2.gz SFXOLWNEIYVUAT-UHFFFAOYSA-N -1 3 354.425 3.333 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]Cc2cc(COC(C)(C)C)on2)c(F)cc1F ZINC000186215002 495899204 /nfs/dbraw/zinc/89/92/04/495899204.db2.gz ZESLWDACYZHECX-UHFFFAOYSA-N -1 3 374.409 3.055 20 0 FGADHM CN(Cc1cc([O-])cc(F)c1)C[C@@H](c1cccs1)N1CCOCC1 ZINC000186219934 495901543 /nfs/dbraw/zinc/90/15/43/495901543.db2.gz XBQYWBDJGNKWLB-KRWDZBQOSA-N -1 3 350.459 3.098 20 0 FGADHM [O-]c1cc(F)cc(CN2CCN(Cc3cnn(-c4ccccc4)c3)CC2)c1 ZINC000186219354 495901774 /nfs/dbraw/zinc/90/17/74/495901774.db2.gz QIZRCRRXBYBQKE-UHFFFAOYSA-N -1 3 366.440 3.035 20 0 FGADHM CC(C)c1nc(C[S@](=O)Cc2nc(C(F)(F)F)cc(=O)[n-]2)cs1 ZINC000155301184 495911283 /nfs/dbraw/zinc/91/12/83/495911283.db2.gz NHFCXZVXNJTMDZ-HSZRJFAPSA-N -1 3 365.402 3.230 20 0 FGADHM CCOc1ccccc1C[S@](=O)Cc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000155303692 495911996 /nfs/dbraw/zinc/91/19/96/495911996.db2.gz LWPFGVIIDUPGAX-XMMPIXPASA-N -1 3 360.357 3.049 20 0 FGADHM CCOC(=O)c1cc(NC(=O)c2cc(C)c(Br)cc2C)n[n-]1 ZINC000183287942 495916335 /nfs/dbraw/zinc/91/63/35/495916335.db2.gz UZHXAAPRHRKLCW-UHFFFAOYSA-N -1 3 366.215 3.218 20 0 FGADHM CCOC(=O)c1cc(NC(=O)c2cc(C)c(Br)cc2C)[n-]n1 ZINC000183287942 495916342 /nfs/dbraw/zinc/91/63/42/495916342.db2.gz UZHXAAPRHRKLCW-UHFFFAOYSA-N -1 3 366.215 3.218 20 0 FGADHM Cc1cn2c(ncc(C(=O)Nc3cc(C(F)(F)F)ccc3[O-])c2=O)s1 ZINC000180241345 495921156 /nfs/dbraw/zinc/92/11/56/495921156.db2.gz ZFFNVZIPFBMYQS-UHFFFAOYSA-N -1 3 369.324 3.041 20 0 FGADHM C[C@H]1CCN(C(=O)c2csc(-c3cnccn3)n2)c2c([O-])cccc21 ZINC000186282356 495928170 /nfs/dbraw/zinc/92/81/70/495928170.db2.gz FRZPVFXJRKJFKD-NSHDSACASA-N -1 3 352.419 3.460 20 0 FGADHM Cc1ccc(-c2ccc(C(=O)Nc3nnc(SCCO)[n-]3)c(F)c2)cc1 ZINC000155351271 495929822 /nfs/dbraw/zinc/92/98/22/495929822.db2.gz JVHWHWIYUKECSY-UHFFFAOYSA-N -1 3 372.425 3.256 20 0 FGADHM Cc1ccc(-c2ccc(C(=O)Nc3nc(SCCO)n[n-]3)c(F)c2)cc1 ZINC000155351271 495929828 /nfs/dbraw/zinc/92/98/28/495929828.db2.gz JVHWHWIYUKECSY-UHFFFAOYSA-N -1 3 372.425 3.256 20 0 FGADHM Cc1ccc(-c2ccc(C(=O)Nc3n[n-]c(SCCO)n3)c(F)c2)cc1 ZINC000155351271 495929832 /nfs/dbraw/zinc/92/98/32/495929832.db2.gz JVHWHWIYUKECSY-UHFFFAOYSA-N -1 3 372.425 3.256 20 0 FGADHM O=C(NC[C@@H]1CCCN(Cc2cccs2)C1)c1cc(F)c([O-])c(F)c1 ZINC000177128222 495939100 /nfs/dbraw/zinc/93/91/00/495939100.db2.gz DSZRYUWKDTYEHR-LBPRGKRZSA-N -1 3 366.433 3.374 20 0 FGADHM CCN(C(=O)c1ccc(OC)cc1[O-])[C@H]1CCN(Cc2ccccc2)C1 ZINC000186328975 495951226 /nfs/dbraw/zinc/95/12/26/495951226.db2.gz CAYLNSXNQOTVOE-KRWDZBQOSA-N -1 3 354.450 3.137 20 0 FGADHM Cc1cc(NC(=O)c2c[n-]nc2-c2cccc(Cl)c2)ccc1C(N)=O ZINC000151807075 495954729 /nfs/dbraw/zinc/95/47/29/495954729.db2.gz FFRZBWJOEJNYIG-UHFFFAOYSA-N -1 3 354.797 3.390 20 0 FGADHM C[C@@H]1CCN(C(=O)c2csc(S(C)(=O)=O)c2)c2c([O-])cccc21 ZINC000186342993 495957324 /nfs/dbraw/zinc/95/73/24/495957324.db2.gz DKGFCWWHYATPGO-SNVBAGLBSA-N -1 3 351.449 3.011 20 0 FGADHM Cc1nc(C)c(CCC(=O)N2CC[C@H](C)[C@H]2c2cccc(F)c2)c(=O)[n-]1 ZINC000174447770 495963295 /nfs/dbraw/zinc/96/32/95/495963295.db2.gz OVTVOXKMLAALDA-BUXKBTBVSA-N -1 3 357.429 3.068 20 0 FGADHM COc1ncnc(OC)c1C(=O)[N-]c1nc2ccc(Cl)cc2s1 ZINC000171657479 495976870 /nfs/dbraw/zinc/97/68/70/495976870.db2.gz ZDNRTQOIOCDAOR-UHFFFAOYSA-N -1 3 350.787 3.009 20 0 FGADHM COC(=O)c1coc(C(=O)[N-]c2nc(CN3CCC[C@H](C)C3)cs2)c1 ZINC000183441922 495984939 /nfs/dbraw/zinc/98/49/39/495984939.db2.gz XXIMAJWLUYHWMR-NSHDSACASA-N -1 3 363.439 3.007 20 0 FGADHM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(OC(F)F)cc3)ccc2O1 ZINC000171703835 495995835 /nfs/dbraw/zinc/99/58/35/495995835.db2.gz LOWURMTYIGFETM-SNVBAGLBSA-N -1 3 355.362 3.412 20 0 FGADHM Cc1ccc(Cn2nccc2NC(=O)c2cc(-c3ccc(C)o3)[n-]n2)o1 ZINC000171717193 496004353 /nfs/dbraw/zinc/00/43/53/496004353.db2.gz VZMDBARNHAVTFJ-UHFFFAOYSA-N -1 3 351.366 3.377 20 0 FGADHM Cc1ccc(Cn2nccc2NC(=O)c2cc(-c3ccc(C)o3)n[n-]2)o1 ZINC000171717193 496004360 /nfs/dbraw/zinc/00/43/60/496004360.db2.gz VZMDBARNHAVTFJ-UHFFFAOYSA-N -1 3 351.366 3.377 20 0 FGADHM O=C(Nc1cc(C(F)(F)F)ccc1[O-])c1ccnc(O[C@@H]2CCOC2)c1 ZINC000183520867 496018007 /nfs/dbraw/zinc/01/80/07/496018007.db2.gz JPLLGTPRJHQANS-GFCCVEGCSA-N -1 3 368.311 3.226 20 0 FGADHM CCOC(=O)c1ccsc1[N-]C(=O)C(=O)N(C)[C@@H](C)c1ccccc1 ZINC000174684210 496060459 /nfs/dbraw/zinc/06/04/59/496060459.db2.gz ZRHKOINZHDEKDE-LBPRGKRZSA-N -1 3 360.435 3.083 20 0 FGADHM CCOc1cc(C(=O)NC[C@H](C)N2CCC[C@H](C)C2)cc(Cl)c1[O-] ZINC000186615534 496073952 /nfs/dbraw/zinc/07/39/52/496073952.db2.gz IWZKCNHXMZIIGT-STQMWFEESA-N -1 3 354.878 3.295 20 0 FGADHM COC(=O)c1cc(S(=O)(=O)[N-]c2c(F)cc(Cl)cc2F)c(C)o1 ZINC000180660108 496091035 /nfs/dbraw/zinc/09/10/35/496091035.db2.gz MFOORQPBAFACQX-UHFFFAOYSA-N -1 3 365.741 3.107 20 0 FGADHM CC[C@@](C)([N-]S(=O)(=O)c1ccc(OC)cc1Cl)c1nccs1 ZINC000568981940 505822954 /nfs/dbraw/zinc/82/29/54/505822954.db2.gz WKSVFZXQPIORJV-CQSZACIVSA-N -1 3 360.888 3.409 20 0 FGADHM Cc1ccc(NC(=O)C(C)C)cc1NC(=O)c1c[n-]c2ccncc2c1=O ZINC000568979933 505823001 /nfs/dbraw/zinc/82/30/01/505823001.db2.gz MBFZAEDBIRLZNC-UHFFFAOYSA-N -1 3 364.405 3.078 20 0 FGADHM O=C(Nc1ccccc1[O-])C1CCN(Cc2nc(C3CCCC3)no2)CC1 ZINC000155962137 496118133 /nfs/dbraw/zinc/11/81/33/496118133.db2.gz ZCTSBUGTPZZAEF-UHFFFAOYSA-N -1 3 370.453 3.284 20 0 FGADHM O=C(c1ccc(Cl)cc1[O-])N1CCC(CCCN2CCOCC2)CC1 ZINC000180742806 496126333 /nfs/dbraw/zinc/12/63/33/496126333.db2.gz HNTPEURDJZYHQR-UHFFFAOYSA-N -1 3 366.889 3.010 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-][C@H](c1ccccc1)c1cccnc1 ZINC000177612861 496132297 /nfs/dbraw/zinc/13/22/97/496132297.db2.gz JXZHFMMAUKXBBJ-MRXNPFEDSA-N -1 3 360.460 3.220 20 0 FGADHM Cn1ccnc1CC1CCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])CC1 ZINC000180768875 496138790 /nfs/dbraw/zinc/13/87/90/496138790.db2.gz BQASRZOOOAUVEN-UHFFFAOYSA-N -1 3 367.371 3.239 20 0 FGADHM 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/nfs/dbraw/zinc/57/26/85/497572685.db2.gz RRAZERIEIAKQHE-NSHDSACASA-N -1 3 370.471 3.312 20 0 FGADHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)Nc1cccc2[nH]ccc21 ZINC000190774702 497599852 /nfs/dbraw/zinc/59/98/52/497599852.db2.gz DCWVFDKATVGXLA-UHFFFAOYSA-N -1 3 371.418 3.292 20 0 FGADHM COCc1nc(S[C@H](C)C(=O)c2ccccc2Br)n[n-]1 ZINC000276575318 497604765 /nfs/dbraw/zinc/60/47/65/497604765.db2.gz HWQRULXASVWGQU-MRVPVSSYSA-N -1 3 356.245 3.077 20 0 FGADHM CC[C@@H](c1ccc(F)cc1)N1CCC[C@H](N(CC(=O)[O-])C(C)=O)CC1 ZINC000262738614 497611944 /nfs/dbraw/zinc/61/19/44/497611944.db2.gz IUMDBQALPVEILD-ROUUACIJSA-N -1 3 350.434 3.064 20 0 FGADHM Cc1ccc(NC([O-])=NOCc2cccnc2)c(OC[C@H]2CCCO2)c1 ZINC000272392628 497616100 /nfs/dbraw/zinc/61/61/00/497616100.db2.gz WBEOSYLOWLTQBS-MRXNPFEDSA-N -1 3 357.410 3.201 20 0 FGADHM Cc1ccc(NC(=O)[N-]OCc2cccnc2)c(OC[C@H]2CCCO2)c1 ZINC000272392628 497616104 /nfs/dbraw/zinc/61/61/04/497616104.db2.gz WBEOSYLOWLTQBS-MRXNPFEDSA-N -1 3 357.410 3.201 20 0 FGADHM Cc1cc(C(=O)N[C@H](C)c2ccc(NC(=O)NC3CC3)cc2)ccc1[O-] ZINC000272453035 497633053 /nfs/dbraw/zinc/63/30/53/497633053.db2.gz NRPDXHXQUDRIPT-CYBMUJFWSA-N -1 3 353.422 3.476 20 0 FGADHM CSc1nnc(CCCNC(=O)c2ccc([O-])c(C)c2)n1CC(C)C ZINC000272473020 497637927 /nfs/dbraw/zinc/63/79/27/497637927.db2.gz PXSCSXAPZQKRFY-UHFFFAOYSA-N -1 3 362.499 3.033 20 0 FGADHM CC[C@@H](NC(=O)c1c[n-]c2ccccc2c1=O)c1nnc2n1CCCCC2 ZINC000267966046 497647737 /nfs/dbraw/zinc/64/77/37/497647737.db2.gz ZDVOVVTXLSIARF-OAHLLOKOSA-N -1 3 365.437 3.139 20 0 FGADHM Cc1cc(C(=O)Nc2nnc(-c3ccco3)[n-]2)c2c(n1)onc2C(C)C ZINC000194448179 497670083 /nfs/dbraw/zinc/67/00/83/497670083.db2.gz BYXBKVIIPVJNTD-UHFFFAOYSA-N -1 3 352.354 3.285 20 0 FGADHM Cc1cc(C(=O)Nc2nc(-c3ccco3)n[n-]2)c2c(n1)onc2C(C)C ZINC000194448179 497670089 /nfs/dbraw/zinc/67/00/89/497670089.db2.gz BYXBKVIIPVJNTD-UHFFFAOYSA-N -1 3 352.354 3.285 20 0 FGADHM Cc1cc(C(=O)Nc2n[n-]c(-c3ccco3)n2)c2c(n1)onc2C(C)C ZINC000194448179 497670092 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COc1ccc(C(=O)C2CCN(C(=O)c3ccc([O-])c(C)c3)CC2)cc1 ZINC000272634807 497685494 /nfs/dbraw/zinc/68/54/94/497685494.db2.gz XKJIAVXSYQBCHM-UHFFFAOYSA-N -1 3 353.418 3.444 20 0 FGADHM Cc1nc(CCNCc2ccc(Br)s2)sc1C(=O)[O-] ZINC000276923643 497689168 /nfs/dbraw/zinc/68/91/68/497689168.db2.gz AKDNLAWYDOZMII-UHFFFAOYSA-N -1 3 361.286 3.306 20 0 FGADHM Cc1ccc2ncc(C(=O)[O-])c(N[C@H](C)c3noc(COC(C)C)n3)c2c1 ZINC000578365025 505923154 /nfs/dbraw/zinc/92/31/54/505923154.db2.gz SYSIODSJFIPPQW-GFCCVEGCSA-N -1 3 370.409 3.144 20 0 FGADHM O=C([O-])CC[C@H]1CCCN([C@@H](C(=O)N2CCCCC2)c2ccccc2)C1 ZINC000263059552 497694446 /nfs/dbraw/zinc/69/44/46/497694446.db2.gz FHCPONMIWKIXIR-YLJYHZDGSA-N -1 3 358.482 3.317 20 0 FGADHM O=C(Nc1cccc([O-])c1F)[C@H]1Cc2cc(Br)ccc2O1 ZINC000194529771 497696274 /nfs/dbraw/zinc/69/62/74/497696274.db2.gz BZNKCQMHMQKQEL-CYBMUJFWSA-N -1 3 352.159 3.236 20 0 FGADHM COc1cccc(OC)c1OC1CCN([C@H](C(=O)[O-])c2ccccc2)CC1 ZINC000578368223 505923562 /nfs/dbraw/zinc/92/35/62/505923562.db2.gz HGWJSNHUECNKJT-IBGZPJMESA-N -1 3 371.433 3.373 20 0 FGADHM CN(C)c1ccc([N-]S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)nc1 ZINC000194585492 497711884 /nfs/dbraw/zinc/71/18/84/497711884.db2.gz YCSIHYUYNTULOI-UHFFFAOYSA-N -1 3 360.266 3.396 20 0 FGADHM C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)N1CC[C@](C)(C(=O)[O-])C1 ZINC000263127675 497712800 /nfs/dbraw/zinc/71/28/00/497712800.db2.gz LFHDYOVVZNWIMF-ZHRRBRCNSA-N -1 3 366.461 3.077 20 0 FGADHM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1cc([C@@H]2CCCOC2)n[nH]1 ZINC000280319609 497718429 /nfs/dbraw/zinc/71/84/29/497718429.db2.gz PFYMKRGOOULNMF-LLVKDONJSA-N -1 3 355.847 3.066 20 0 FGADHM CCOc1c(OC)cc(CN[C@@H](CC(=O)[O-])c2ccsc2)cc1OC ZINC000277035394 497723093 /nfs/dbraw/zinc/72/30/93/497723093.db2.gz QCOCLUQQGKINOT-AWEZNQCLSA-N -1 3 365.451 3.470 20 0 FGADHM CCN(C)c1ccc(CN2CCC(C(=O)Nc3ccccc3[O-])CC2)cn1 ZINC000191193800 497739803 /nfs/dbraw/zinc/73/98/03/497739803.db2.gz FSUZBNXZVYMWEN-UHFFFAOYSA-N -1 3 368.481 3.094 20 0 FGADHM Cc1cccnc1C(F)(F)C(=O)[N-]C[C@@](O)(c1ccccc1)C(F)(F)F 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/nfs/dbraw/zinc/78/77/45/497787745.db2.gz XVVXOKQYJGILJK-PGRDOPGGSA-N -1 3 370.493 3.002 20 0 FGADHM CC(C)C[C@H](CNCc1cn(-c2cccc(Cl)c2Cl)nn1)C(=O)[O-] ZINC000263507738 497793068 /nfs/dbraw/zinc/79/30/68/497793068.db2.gz WIEUHFJPKLPGSO-LLVKDONJSA-N -1 3 371.268 3.411 20 0 FGADHM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1ccn(-c2c(F)cccc2F)n1 ZINC000263571199 497801200 /nfs/dbraw/zinc/80/12/00/497801200.db2.gz JCAPTXXZIDJHPN-DQYPLSBCSA-N -1 3 361.392 3.368 20 0 FGADHM C[C@H](CC(=O)N1CCN(C(=O)c2cccc([O-])c2)CC1)c1ccc(F)cc1 ZINC000263718241 497810694 /nfs/dbraw/zinc/81/06/94/497810694.db2.gz RLFWDNQUUXSHAN-OAHLLOKOSA-N -1 3 370.424 3.010 20 0 FGADHM Cc1ccc(CN(C)C)cc1[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000288548261 497827420 /nfs/dbraw/zinc/82/74/20/497827420.db2.gz IRGHXVSBQKAFJJ-UHFFFAOYSA-N -1 3 373.400 3.271 20 0 FGADHM O=C([N-]c1nc2n(n1)CCCC2)c1cc2cc(Br)ccc2o1 ZINC000569431330 505932817 /nfs/dbraw/zinc/93/28/17/505932817.db2.gz ASKQUUWDLNAVQJ-UHFFFAOYSA-N -1 3 361.199 3.375 20 0 FGADHM CCC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]CCc2c(C)noc2C)c1 ZINC000280648024 497842379 /nfs/dbraw/zinc/84/23/79/497842379.db2.gz FBRABICAMPJGPF-UHFFFAOYSA-N -1 3 370.858 3.059 20 0 FGADHM O=C(NC[C@@]1(O)CCC[C@@H](C(F)(F)F)C1)c1cc([O-])ccc1Cl ZINC000334006786 497844626 /nfs/dbraw/zinc/84/46/26/497844626.db2.gz QVMMNZCGCBMECW-YMTOWFKASA-N -1 3 351.752 3.259 20 0 FGADHM C[C@@]12CCCN1C[C@@H](c1noc(-c3cc([O-])ccc3C(F)(F)F)n1)OC2 ZINC000329615142 497846313 /nfs/dbraw/zinc/84/63/13/497846313.db2.gz SDTOIGBGMSQCKC-BBRMVZONSA-N -1 3 369.343 3.387 20 0 FGADHM Cc1nc(S(=O)(=O)[C@H](C)c2nc(-c3ccc(C)c(F)c3)no2)[n-]c1C ZINC000295906477 497849538 /nfs/dbraw/zinc/84/95/38/497849538.db2.gz LVEFZTFKXKGXKO-LLVKDONJSA-N -1 3 364.402 3.059 20 0 FGADHM O=C(Nc1ccccc1[O-])C1CCN(C(=O)c2cc[nH]c2C2CC2)CC1 ZINC000284651344 497854912 /nfs/dbraw/zinc/85/49/12/497854912.db2.gz XTGQMAGBMBNNTE-UHFFFAOYSA-N -1 3 353.422 3.089 20 0 FGADHM Cc1nc(S(=O)(=O)[C@H](C)c2nc(-c3ccc(F)c(C)c3)no2)[n-]c1C ZINC000295941117 497861863 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Cc1nc(NCCCNC(=O)c2cccc([O-])c2)ccc1Br ZINC000302087629 498401640 /nfs/dbraw/zinc/40/16/40/498401640.db2.gz OBLJCSJHCUBHOP-UHFFFAOYSA-N -1 3 364.243 3.090 20 0 FGADHM CC[C@@H](C)Oc1cc(C(=O)N=c2[nH][n-]c(-c3ccncc3)c2C)ccn1 ZINC000361777089 498429397 /nfs/dbraw/zinc/42/93/97/498429397.db2.gz ZMYXASHBOQPLRG-GFCCVEGCSA-N -1 3 351.410 3.027 20 0 FGADHM COc1ccc(S(=O)(=O)[N-][C@H]2CSC2(C)C)c(Cl)c1Cl ZINC000569869964 506035048 /nfs/dbraw/zinc/03/50/48/506035048.db2.gz JFQRISGUBUEEGU-VIFPVBQESA-N -1 3 356.296 3.174 20 0 FGADHM Cc1ccc([O-])c(C(=O)Nc2cc(C(=O)N3CCSCC3)ccc2C)c1 ZINC000331866149 498482134 /nfs/dbraw/zinc/48/21/34/498482134.db2.gz YTAQFQIXGAHXOJ-UHFFFAOYSA-N -1 3 370.474 3.450 20 0 FGADHM Cc1ccc([C@]2(C)CCN(C(=O)CCc3c(C)nc(C)[n-]c3=O)C2)cc1 ZINC000365491607 498495869 /nfs/dbraw/zinc/49/58/69/498495869.db2.gz CPLMQDXNCXRQPN-OAQYLSRUSA-N -1 3 353.466 3.230 20 0 FGADHM [O-]c1ccc(F)c(CNc2ccccc2CN2CCC(CO)CC2)c1F ZINC000293814723 498498979 /nfs/dbraw/zinc/49/89/79/498498979.db2.gz CUWZOVSYTKQJPI-UHFFFAOYSA-N -1 3 362.420 3.487 20 0 FGADHM CC[C@H](CC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1)c1ccccc1 ZINC000290311023 498505146 /nfs/dbraw/zinc/50/51/46/498505146.db2.gz HFCAWKUFBUQIOK-HUUCEWRRSA-N -1 3 370.415 3.487 20 0 FGADHM CCC[C@H](C(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1)c1ccccc1 ZINC000290329262 498510868 /nfs/dbraw/zinc/51/08/68/498510868.db2.gz JHYWVKCTWBNMMJ-ZBFHGGJFSA-N -1 3 370.415 3.487 20 0 FGADHM Cc1cccc(C)c1OC[C@@H](C)NC(=O)c1c[n-]nc1-c1ccccn1 ZINC000581696412 506046210 /nfs/dbraw/zinc/04/62/10/506046210.db2.gz JETQYDXLYDIUAV-OAHLLOKOSA-N -1 3 350.422 3.286 20 0 FGADHM C[C@@H]1CCn2ncc(C(=O)Nc3ccc(OC(F)(F)F)cc3[O-])c2C1 ZINC000578896228 506047195 /nfs/dbraw/zinc/04/71/95/506047195.db2.gz WSWFCKHVUORNLG-SECBINFHSA-N -1 3 355.316 3.322 20 0 FGADHM CSc1ccc(C(=O)N(C)C2CCN(Cc3ccncc3)CC2)c([O-])c1 ZINC000365544374 498524351 /nfs/dbraw/zinc/52/43/51/498524351.db2.gz HHQICBJMEOLRPJ-UHFFFAOYSA-N -1 3 371.506 3.246 20 0 FGADHM CC(C)(C)OC(=O)NCC[C@@H]1CCCCN1C(=O)c1ccc(O)cc1[O-] ZINC000286840569 498525689 /nfs/dbraw/zinc/52/56/89/498525689.db2.gz PMJYJQISYVCAJG-ZDUSSCGKSA-N -1 3 364.442 3.007 20 0 FGADHM Cc1cc(Cl)cc(NC(=O)[C@@H]2CC[C@H](C(=O)OC(C)(C)C)O2)c1[O-] ZINC000572770763 506048677 /nfs/dbraw/zinc/04/86/77/506048677.db2.gz GRFQSVAHGXQLQZ-QWHCGFSZSA-N -1 3 355.818 3.182 20 0 FGADHM C[C@H](CC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1)c1ccccc1 ZINC000290392177 498534896 /nfs/dbraw/zinc/53/48/96/498534896.db2.gz PAOTYMKGFXAXAV-KGLIPLIRSA-N -1 3 356.388 3.097 20 0 FGADHM C[C@H]1CCC[C@H](CC(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)C1 ZINC000332026793 498536700 /nfs/dbraw/zinc/53/67/00/498536700.db2.gz XMOFSXQLZMZGCY-HOTGVXAUSA-N -1 3 358.482 3.329 20 0 FGADHM Cc1cccc2c1CC(C)(C)N(C(=O)CCc1c(C)nc(C)[n-]c1=O)C2 ZINC000297727907 498549920 /nfs/dbraw/zinc/54/99/20/498549920.db2.gz MBJJMFHBONDDPC-UHFFFAOYSA-N -1 3 353.466 3.404 20 0 FGADHM CCOc1cc(CN2CCC3(CC2)[C@@H](O)C[C@@H]3OCC)cc(Cl)c1[O-] ZINC000297941063 498616010 /nfs/dbraw/zinc/61/60/10/498616010.db2.gz VERLZSIGNLIOGK-IRXDYDNUSA-N -1 3 369.889 3.196 20 0 FGADHM O=c1nc(CN[C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)[n-]c2ccsc21 ZINC000297945606 498617391 /nfs/dbraw/zinc/61/73/91/498617391.db2.gz ARKGXAHFHZXBHH-SWLSCSKDSA-N -1 3 363.389 3.295 20 0 FGADHM O=C([N-]c1nc2n(n1)CCCC2)c1cc(Cl)c(F)cc1Br ZINC000581770297 506064271 /nfs/dbraw/zinc/06/42/71/506064271.db2.gz DJMKNUOKJJEXAP-UHFFFAOYSA-N -1 3 373.613 3.422 20 0 FGADHM COCC[S@@](=O)Cc1cccc(NCc2c(F)ccc([O-])c2F)c1 ZINC000294250230 498632791 /nfs/dbraw/zinc/63/27/91/498632791.db2.gz NHFCMLXLPPHGNF-XMMPIXPASA-N -1 3 355.406 3.178 20 0 FGADHM CCc1nsc(N2CCN(Cc3cc([O-])cc(C(F)(F)F)c3)CC2)n1 ZINC000570015603 506068687 /nfs/dbraw/zinc/06/86/87/506068687.db2.gz YNDHHONYCGGTRV-UHFFFAOYSA-N -1 3 372.416 3.147 20 0 FGADHM CCc1ccc([O-])c(C(=O)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)c1 ZINC000332402215 498677721 /nfs/dbraw/zinc/67/77/21/498677721.db2.gz UMOYYZQUUWIZQJ-UHFFFAOYSA-N -1 3 368.481 3.139 20 0 FGADHM Cc1csc2nc(C)nc(N3CCC[C@H](C[N-]C(=O)C(F)(F)F)C3)c12 ZINC000290800578 498684235 /nfs/dbraw/zinc/68/42/35/498684235.db2.gz YPUZBDXXSOHHAP-LLVKDONJSA-N -1 3 372.416 3.203 20 0 FGADHM CC[C@]1(c2ccc(NCc3c(F)ccc([O-])c3F)cc2)CCC(=O)NC1=O ZINC000294423195 498689783 /nfs/dbraw/zinc/68/97/83/498689783.db2.gz WXOMVIKGLXMPJO-HXUWFJFHSA-N -1 3 374.387 3.367 20 0 FGADHM COc1cc(C)c(CN(C)CCOc2ccccc2C(=O)[O-])cc1OC ZINC000581864454 506076914 /nfs/dbraw/zinc/07/69/14/506076914.db2.gz FYUDTHZNZVXVKZ-UHFFFAOYSA-N -1 3 359.422 3.221 20 0 FGADHM CCc1ccc([O-])c(C(=O)N2CCN(C(=O)CC3CCCCC3)CC2)c1 ZINC000332528446 498714050 /nfs/dbraw/zinc/71/40/50/498714050.db2.gz OQHDFJYVQZMSRA-UHFFFAOYSA-N -1 3 358.482 3.209 20 0 FGADHM CC(C)OCc1nc([C@@H](C)NCc2cc([O-])ccc2Br)no1 ZINC000290922443 498723934 /nfs/dbraw/zinc/72/39/34/498723934.db2.gz NYCXQEQDGRWAJG-SNVBAGLBSA-N -1 3 370.247 3.314 20 0 FGADHM CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000303870489 498724229 /nfs/dbraw/zinc/72/42/29/498724229.db2.gz XODZVPQINQUFTR-HUUCEWRRSA-N -1 3 370.449 3.004 20 0 FGADHM CSCCC[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000304349974 498734140 /nfs/dbraw/zinc/73/41/40/498734140.db2.gz WYVPCTKCKPTEBS-UHFFFAOYSA-N -1 3 358.710 3.134 20 0 FGADHM O=C([O-])c1cccc(CN2CC[C@](O)(Cc3ccc(F)cc3)C2)c1Cl ZINC000576123687 506082910 /nfs/dbraw/zinc/08/29/10/506082910.db2.gz XLIZAODGZDGJKC-IBGZPJMESA-N -1 3 363.816 3.357 20 0 FGADHM O=C([O-])c1cccc(CN2CC[C@@](O)(Cc3ccc(F)cc3)C2)c1Cl ZINC000576123688 506083261 /nfs/dbraw/zinc/08/32/61/506083261.db2.gz XLIZAODGZDGJKC-LJQANCHMSA-N -1 3 363.816 3.357 20 0 FGADHM Cc1ccc([C@H]2OCCC[C@@H]2NC(=O)c2cc(F)cc3nn[n-]c32)cc1 ZINC000332685082 498763594 /nfs/dbraw/zinc/76/35/94/498763594.db2.gz MBAPAEUIKIFRKW-MAUKXSAKSA-N -1 3 354.385 3.056 20 0 FGADHM Cc1ccc([C@H]2OCCC[C@@H]2NC(=O)c2cc(F)cc3[n-]nnc32)cc1 ZINC000332685082 498763600 /nfs/dbraw/zinc/76/36/00/498763600.db2.gz MBAPAEUIKIFRKW-MAUKXSAKSA-N -1 3 354.385 3.056 20 0 FGADHM Cc1ccc([C@H]2OCCC[C@@H]2NC(=O)c2cc(F)cc3n[n-]nc32)cc1 ZINC000332685082 498763608 /nfs/dbraw/zinc/76/36/08/498763608.db2.gz MBAPAEUIKIFRKW-MAUKXSAKSA-N -1 3 354.385 3.056 20 0 FGADHM Cn1cc(C(=O)Nc2ccc(Br)cc2[O-])c(-c2ccoc2)n1 ZINC000576144552 506087079 /nfs/dbraw/zinc/08/70/79/506087079.db2.gz KYUKJHRPKLWCBA-UHFFFAOYSA-N -1 3 362.183 3.401 20 0 FGADHM COc1cccc(C(=O)NCCc2ccc(Br)cc2)c1[O-] ZINC000314398450 498776041 /nfs/dbraw/zinc/77/60/41/498776041.db2.gz UQMSTGSSNYZCIZ-UHFFFAOYSA-N -1 3 350.212 3.136 20 0 FGADHM COc1cc([N-]S(=O)(=O)CCc2cccs2)cc(OC)c1Cl ZINC000572940680 506088538 /nfs/dbraw/zinc/08/85/38/506088538.db2.gz ZORKNHWBJWBHTM-UHFFFAOYSA-N -1 3 361.872 3.403 20 0 FGADHM Cc1c(-c2ccncc2)[n-][nH]c1=NC(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000363367052 498781839 /nfs/dbraw/zinc/78/18/39/498781839.db2.gz BFGHVUPSAUFGRY-ZIAGYGMSSA-N -1 3 354.360 3.222 20 0 FGADHM CC(C)c1noc(Cc2ccc(NC([O-])=NO[C@H]3CCCCO3)cc2)n1 ZINC000283109030 498782018 /nfs/dbraw/zinc/78/20/18/498782018.db2.gz MLDDIHXETPPRFO-INIZCTEOSA-N -1 3 360.414 3.364 20 0 FGADHM CC(C)c1noc(Cc2ccc(NC(=O)[N-]O[C@H]3CCCCO3)cc2)n1 ZINC000283109030 498782025 /nfs/dbraw/zinc/78/20/25/498782025.db2.gz MLDDIHXETPPRFO-INIZCTEOSA-N -1 3 360.414 3.364 20 0 FGADHM COc1cccc([C@H]2[C@@H](NC(=O)c3cc([O-])ccc3F)CCN2C2CC2)c1 ZINC000572949542 506090573 /nfs/dbraw/zinc/09/05/73/506090573.db2.gz ZOIVETYFGQQPFN-PMACEKPBSA-N -1 3 370.424 3.248 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-][C@@H](c1ccccc1)C1CCOCC1 ZINC000366165540 498804283 /nfs/dbraw/zinc/80/42/83/498804283.db2.gz TYESZFXVZPPHAF-INIZCTEOSA-N -1 3 367.492 3.203 20 0 FGADHM CN(C)C(=O)[C@H]1CCC[C@H](NC(=O)CCc2ccc3ccccc3c2[O-])C1 ZINC000294791300 498806958 /nfs/dbraw/zinc/80/69/58/498806958.db2.gz DJHLDEGIJNSLLV-ROUUACIJSA-N -1 3 368.477 3.241 20 0 FGADHM CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)CCc2ccc3ccccc3c2[O-])C1 ZINC000294791296 498807075 /nfs/dbraw/zinc/80/70/75/498807075.db2.gz DJHLDEGIJNSLLV-QZTJIDSGSA-N -1 3 368.477 3.241 20 0 FGADHM CC(C)[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)C(=O)OC(C)(C)C ZINC000322818958 498817808 /nfs/dbraw/zinc/81/78/08/498817808.db2.gz XQYKYGXYOOIIJZ-CYBMUJFWSA-N -1 3 365.854 3.124 20 0 FGADHM CCCCCS(=O)(=O)[N-][C@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000572924539 506084484 /nfs/dbraw/zinc/08/44/84/506084484.db2.gz WXBAKNNWFLMXCB-SFHVURJKSA-N -1 3 360.479 3.476 20 0 FGADHM CC(C)(C)[C@H](CCO)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000323866523 498823066 /nfs/dbraw/zinc/82/30/66/498823066.db2.gz SFTPHCFZNDQCMH-LBPRGKRZSA-N -1 3 373.824 3.434 20 0 FGADHM O=C([O-])C[C@@H]1CSCCN1CCCOc1cccc(C(F)(F)F)c1 ZINC000573009137 506097916 /nfs/dbraw/zinc/09/79/16/506097916.db2.gz SCCPZULVEHSCOW-CYBMUJFWSA-N -1 3 363.401 3.366 20 0 FGADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@@H]1CCCC[C@@H]1C(C)C ZINC000326163156 498841242 /nfs/dbraw/zinc/84/12/42/498841242.db2.gz FIQJOVLRSKTGHK-UKRRQHHQSA-N -1 3 357.447 3.105 20 0 FGADHM Cc1nn(C(C)C)c(C)c1CC(=O)Nc1nnc(-c2c(F)cccc2F)[n-]1 ZINC000294955156 498861500 /nfs/dbraw/zinc/86/15/00/498861500.db2.gz MHAMXTWVSDKNGT-UHFFFAOYSA-N -1 3 374.395 3.325 20 0 FGADHM Cc1nn(C(C)C)c(C)c1CC(=O)Nc1nc(-c2c(F)cccc2F)n[n-]1 ZINC000294955156 498861506 /nfs/dbraw/zinc/86/15/06/498861506.db2.gz MHAMXTWVSDKNGT-UHFFFAOYSA-N -1 3 374.395 3.325 20 0 FGADHM Cc1nn(C(C)C)c(C)c1CC(=O)Nc1n[n-]c(-c2c(F)cccc2F)n1 ZINC000294955156 498861510 /nfs/dbraw/zinc/86/15/10/498861510.db2.gz MHAMXTWVSDKNGT-UHFFFAOYSA-N -1 3 374.395 3.325 20 0 FGADHM CN(C)c1nc(C(=O)N2CCCCC[C@H]2/C=C/c2cccs2)cc(=O)[n-]1 ZINC000333015950 498870906 /nfs/dbraw/zinc/87/09/06/498870906.db2.gz GYRNTMNVJXQKQF-HBWSCVEGSA-N -1 3 372.494 3.408 20 0 FGADHM CC1(C)Cc2ccc(C(=O)N3CCO[C@H](Cc4ccccc4)C3)c([O-])c2O1 ZINC000333061731 498886694 /nfs/dbraw/zinc/88/66/94/498886694.db2.gz NFWUDQYAPMAYSS-QGZVFWFLSA-N -1 3 367.445 3.189 20 0 FGADHM O=S(=O)([N-][C@@H]1C[C@H]1C1CC1)c1cc(Br)cc2cccnc21 ZINC000572997446 506095715 /nfs/dbraw/zinc/09/57/15/506095715.db2.gz UCTSHOITTFEFCR-QWHCGFSZSA-N -1 3 367.268 3.074 20 0 FGADHM COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)c1ccc(C(=O)OC)[n-]1 ZINC000295046937 498891412 /nfs/dbraw/zinc/89/14/12/498891412.db2.gz YULUSTPCGMFNPL-JTQLQIEISA-N -1 3 366.801 3.121 20 0 FGADHM Cn1cc([C@H]2CN(Cc3cccc([O-])c3Cl)CC23CCOCC3)cn1 ZINC000295072850 498899267 /nfs/dbraw/zinc/89/92/67/498899267.db2.gz RDZHJBSTNJYZPO-MRXNPFEDSA-N -1 3 361.873 3.175 20 0 FGADHM O=C(NCCC1CCCCC1)NC1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000363618485 498907968 /nfs/dbraw/zinc/90/79/68/498907968.db2.gz JYIOIXMYUKFWKC-UHFFFAOYSA-N -1 3 373.497 3.266 20 0 FGADHM COc1ccc2c(c1)C[C@@H](C)N(C(=O)c1cc(F)cc3[n-]nnc31)[C@@H]2C ZINC000328784588 498937452 /nfs/dbraw/zinc/93/74/52/498937452.db2.gz KFUPVWCOJBSTOY-GHMZBOCLSA-N -1 3 354.385 3.254 20 0 FGADHM COc1ccc2c(c1)C[C@@H](C)N(C(=O)c1cc(F)cc3nn[n-]c31)[C@@H]2C ZINC000328784588 498937454 /nfs/dbraw/zinc/93/74/54/498937454.db2.gz KFUPVWCOJBSTOY-GHMZBOCLSA-N -1 3 354.385 3.254 20 0 FGADHM COc1ccc2c(c1)C[C@@H](C)N(C(=O)c1cc(F)cc3n[n-]nc31)[C@@H]2C ZINC000328784588 498937461 /nfs/dbraw/zinc/93/74/61/498937461.db2.gz KFUPVWCOJBSTOY-GHMZBOCLSA-N -1 3 354.385 3.254 20 0 FGADHM Cc1nc(-c2ccc(NC(=O)N(C)C[C@H]3CCCCO3)cc2)cc(=O)[n-]1 ZINC000328815086 498947693 /nfs/dbraw/zinc/94/76/93/498947693.db2.gz GHGQKEJGAZVKRL-MRXNPFEDSA-N -1 3 356.426 3.190 20 0 FGADHM COC(=O)c1ccsc1[N-]C(=O)C(=O)Nc1cccc(C2CCC2)c1 ZINC000291476750 498956602 /nfs/dbraw/zinc/95/66/02/498956602.db2.gz KYYKTMGPQSARIM-UHFFFAOYSA-N -1 3 358.419 3.379 20 0 FGADHM Cc1cccc(CCC(=O)NC2CCN(C(=O)c3cccc([O-])c3)CC2)c1 ZINC000363729639 498964366 /nfs/dbraw/zinc/96/43/66/498964366.db2.gz QFSLTQUKOTVXNP-UHFFFAOYSA-N -1 3 366.461 3.054 20 0 FGADHM Cc1ccc(SCCN2CCC[C@H](n3cc(C(=O)[O-])nn3)C2)cc1C ZINC000576286159 506121730 /nfs/dbraw/zinc/12/17/30/506121730.db2.gz LQLSWWDCNSUBCO-HNNXBMFYSA-N -1 3 360.483 3.022 20 0 FGADHM C[C@H]1Oc2ccc([N-]S(=O)(=O)c3ccc(C4CC4)cc3)cc2NC1=O ZINC000295379270 498998727 /nfs/dbraw/zinc/99/87/27/498998727.db2.gz TVLFSVPFGAIBPS-LLVKDONJSA-N -1 3 358.419 3.084 20 0 FGADHM O=C([N-]c1ncn(-c2cccnc2)n1)c1csc(-c2ccsc2)n1 ZINC000366646976 499016907 /nfs/dbraw/zinc/01/69/07/499016907.db2.gz WGZRBMYVKHGONJ-UHFFFAOYSA-N -1 3 354.420 3.100 20 0 FGADHM O=C(c1c[n-]c2ccc(Br)cc2c1=O)N1CCCC12CCC2 ZINC000333551710 499029729 /nfs/dbraw/zinc/02/97/29/499029729.db2.gz PZFBDANSSJUJOK-UHFFFAOYSA-N -1 3 361.239 3.449 20 0 FGADHM COc1cccc(C(=O)N2CCC[C@@H]2c2nc3ccccc3n2C)c1[O-] ZINC000299350061 499033513 /nfs/dbraw/zinc/03/35/13/499033513.db2.gz ACZGDVOPWIPMLM-MRXNPFEDSA-N -1 3 351.406 3.265 20 0 FGADHM CCOc1cc(C(=O)N2C[C@@H](N3CCCC3)C[C@H]2C)cc(Cl)c1[O-] ZINC000288481338 499036256 /nfs/dbraw/zinc/03/62/56/499036256.db2.gz QYFNQHKYWLYJIC-OCCSQVGLSA-N -1 3 352.862 3.143 20 0 FGADHM Cc1ccc(CS(=O)(=O)[N-]Cc2nnc(C(C)(C)C)s2)cc1C ZINC000288489433 499039828 /nfs/dbraw/zinc/03/98/28/499039828.db2.gz YJULIQWOESJQJW-UHFFFAOYSA-N -1 3 353.513 3.072 20 0 FGADHM Cc1ccc([O-])c(-c2nc([C@@H]3COCCN3C(=O)OC(C)(C)C)no2)c1 ZINC000363889283 499040894 /nfs/dbraw/zinc/04/08/94/499040894.db2.gz OYPYXGBNPNHOPS-ZDUSSCGKSA-N -1 3 361.398 3.059 20 0 FGADHM COc1ccc(-c2ccc(C)c(NC(=O)[N-]OC[C@@H]3CCOC3)c2)cn1 ZINC000284098064 499048076 /nfs/dbraw/zinc/04/80/76/499048076.db2.gz SZMPTNLTHCRCNC-CQSZACIVSA-N -1 3 357.410 3.155 20 0 FGADHM CCc1cc(C(=O)N2CC[C@H](CN(CC)CC(F)(F)F)C2)ccc1[O-] ZINC000291733510 499050736 /nfs/dbraw/zinc/05/07/36/499050736.db2.gz CIRBRHSDLOLUMB-CYBMUJFWSA-N -1 3 358.404 3.301 20 0 FGADHM C[C@H]1[C@@H](NC(=O)c2cc(=O)c3ccccc3[n-]2)CCN1Cc1ccccc1 ZINC000291938378 499106420 /nfs/dbraw/zinc/10/64/20/499106420.db2.gz UBTSQSNUEQXZNZ-YJBOKZPZSA-N -1 3 361.445 3.333 20 0 FGADHM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C[C@]2(C)CCO[C@@H]2C2CC2)c1 ZINC000364127074 499120605 /nfs/dbraw/zinc/12/06/05/499120605.db2.gz NBHLLRQBOFFVSF-SJORKVTESA-N -1 3 371.886 3.026 20 0 FGADHM C[C@]1(c2ccc(C(=O)Nc3cnc4c(c3)CCCC4)cc2)NC(=O)[N-]C1=O ZINC000329480567 499127285 /nfs/dbraw/zinc/12/72/85/499127285.db2.gz VNGPVNWGTRSASM-HXUWFJFHSA-N -1 3 364.405 3.312 20 0 FGADHM CC1(C)CCC(NC(=O)NC2CCN(C(=O)c3cccc([O-])c3)CC2)CC1 ZINC000369874603 499143075 /nfs/dbraw/zinc/14/30/75/499143075.db2.gz YDNPVDVPDRDLNO-UHFFFAOYSA-N -1 3 373.497 3.265 20 0 FGADHM O=C([O-])[C@@H](c1cccc(Br)c1)N1CC[C@H](c2cccnc2)C1 ZINC000570286292 506133355 /nfs/dbraw/zinc/13/33/55/506133355.db2.gz HGSTWHZODIWASX-GOEBONIOSA-N -1 3 361.239 3.459 20 0 FGADHM C[C@@H]1CCC[C@H](NC(=O)NC2CCN(C(=O)c3cccc([O-])c3)CC2)CC1 ZINC000372707247 499164143 /nfs/dbraw/zinc/16/41/43/499164143.db2.gz STIDAVANBQZHDK-WBVHZDCISA-N -1 3 373.497 3.265 20 0 FGADHM CCc1cc(=O)[n-]c(CN[C@H](C)c2nnc(-c3cccc(F)c3)s2)n1 ZINC000372903430 499192265 /nfs/dbraw/zinc/19/22/65/499192265.db2.gz HPBFTAXWQYKKAG-SNVBAGLBSA-N -1 3 359.430 3.253 20 0 FGADHM Cc1ccc2[n-]cc(C(=O)N3CCC(n4cc(Cl)cn4)CC3)c(=O)c2c1 ZINC000367429464 499197936 /nfs/dbraw/zinc/19/79/36/499197936.db2.gz HZFFBCYDQZYAAE-UHFFFAOYSA-N -1 3 370.840 3.164 20 0 FGADHM C[C@@H](NCC(=O)[N-]OCc1ccccc1)c1ccc(-c2cncnc2)cc1 ZINC000367646164 499221053 /nfs/dbraw/zinc/22/10/53/499221053.db2.gz POHDHBWFOFTFEX-MRXNPFEDSA-N -1 3 362.433 3.042 20 0 FGADHM Cc1cccc(/C=C/C(=O)NC2CCN(C(=O)c3cccc([O-])c3)CC2)c1 ZINC000370727389 499248740 /nfs/dbraw/zinc/24/87/40/499248740.db2.gz XCZBMCFZNQZHFA-CMDGGOBGSA-N -1 3 364.445 3.135 20 0 FGADHM COc1ccccc1N1C[C@@H](C(=O)Nc2c(C)cccc2[O-])CCC1=O ZINC000368122046 499266618 /nfs/dbraw/zinc/26/66/18/499266618.db2.gz IVQIKTONQNZSCX-AWEZNQCLSA-N -1 3 354.406 3.091 20 0 FGADHM CCOC(=O)Nc1scnc1C(=O)[N-]c1nc2c(s1)CSCC2 ZINC000368145223 499268765 /nfs/dbraw/zinc/26/87/65/499268765.db2.gz ZLPBFEGVLPOWQK-UHFFFAOYSA-N -1 3 370.481 3.210 20 0 FGADHM C[C@H](O[N-]C(=O)[C@@H]1CCCN(C(=O)c2cccs2)C1)c1ccccc1 ZINC000368236887 499276843 /nfs/dbraw/zinc/27/68/43/499276843.db2.gz RIWKNKQSTLVGGV-GOEBONIOSA-N -1 3 358.463 3.409 20 0 FGADHM COc1cc(C(=O)N(C)c2nnc(-c3ccccc3)s2)cc(OC)c1[O-] ZINC000368333561 499286424 /nfs/dbraw/zinc/28/64/24/499286424.db2.gz RIAAZUYREYHQRE-UHFFFAOYSA-N -1 3 371.418 3.205 20 0 FGADHM CC(C)c1ccc(/C=C\CC(=O)N2CCC[C@H]2c2nc(=N)n(C)[n-]2)cc1 ZINC000582127396 506140057 /nfs/dbraw/zinc/14/00/57/506140057.db2.gz UGQXOFSAEFZYNL-AATOQMJSSA-N -1 3 353.470 3.118 20 0 FGADHM COc1cc(C(=O)N[C@@H]2CCOc3c(C)cc(C)cc32)cc(OC)c1[O-] ZINC000371225904 499299768 /nfs/dbraw/zinc/29/97/68/499299768.db2.gz OKOPANWLJNTYKS-OAHLLOKOSA-N -1 3 357.406 3.280 20 0 FGADHM Cc1nc(C)n(C[C@H]2CCCN2Cc2cc([O-])ccc2Br)n1 ZINC000371408077 499322432 /nfs/dbraw/zinc/32/24/32/499322432.db2.gz FUUPDSDAWYNOGK-CQSZACIVSA-N -1 3 365.275 3.028 20 0 FGADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCC(Oc2ccc(F)cc2)CC1 ZINC000371663775 499352533 /nfs/dbraw/zinc/35/25/33/499352533.db2.gz MDEBSZIJNYSLLU-UHFFFAOYSA-N -1 3 366.392 3.351 20 0 FGADHM CCC[C@@H]1CCCN(C(=O)NC2CCN(C(=O)c3cccc([O-])c3)CC2)C1 ZINC000371966703 499384701 /nfs/dbraw/zinc/38/47/01/499384701.db2.gz NFBDVROSGFPLDT-MRXNPFEDSA-N -1 3 373.497 3.219 20 0 FGADHM Cc1cn2c(n1)[C@@H](C[N-]S(=O)(=O)c1ccccc1C(F)(F)F)CCC2 ZINC000372132278 499401981 /nfs/dbraw/zinc/40/19/81/499401981.db2.gz QFKXGYAWKPKMIZ-GFCCVEGCSA-N -1 3 373.400 3.066 20 0 FGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@H]3CCO[C@@H]3C3CC3)s2)cs1 ZINC000372257776 499414283 /nfs/dbraw/zinc/41/42/83/499414283.db2.gz GBTNMEPJFSZMEK-XHDPSFHLSA-N -1 3 370.521 3.026 20 0 FGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@H]3CCO[C@H]3C3CC3)s2)cs1 ZINC000372257775 499414311 /nfs/dbraw/zinc/41/43/11/499414311.db2.gz GBTNMEPJFSZMEK-NHYWBVRUSA-N -1 3 370.521 3.026 20 0 FGADHM COc1cc(C(=O)N2CCC[C@@H](COc3ccccc3)C2)cc(OC)c1[O-] ZINC000372317519 499419977 /nfs/dbraw/zinc/41/99/77/499419977.db2.gz YQKKRTXCQZHWAP-OAHLLOKOSA-N -1 3 371.433 3.341 20 0 FGADHM Cc1nc2c(s1)CCC[C@@H]2CNC(=O)c1c[n-]c2ccccc2c1=O ZINC000372402440 499430076 /nfs/dbraw/zinc/43/00/76/499430076.db2.gz BJZQWUGQGAMOFD-GFCCVEGCSA-N -1 3 353.447 3.143 20 0 FGADHM COCCc1ccc(S(=O)(=O)[N-]c2cccc3c2CN(C2CC2)C3)cc1 ZINC000373272126 499460926 /nfs/dbraw/zinc/46/09/26/499460926.db2.gz DWIBRQKCJYBJCO-UHFFFAOYSA-N -1 3 372.490 3.154 20 0 FGADHM O=C(c1ccc2n[n-]nc2c1)N1CC=C(c2cncc3ccccc32)CC1 ZINC000373349739 499464832 /nfs/dbraw/zinc/46/48/32/499464832.db2.gz WRRIQHNESKXQNO-UHFFFAOYSA-N -1 3 355.401 3.436 20 0 FGADHM C[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(C)c3ccccc32)c2c([O-])cccc21 ZINC000373363635 499465519 /nfs/dbraw/zinc/46/55/19/499465519.db2.gz RKUWYTCDCBBTQS-CJNGLKHVSA-N -1 3 350.418 3.383 20 0 FGADHM O=C(c1cc([O-])c2ccccc2c1)N1CCC[C@H](C(=O)N2CCCCC2)C1 ZINC000373437929 499469664 /nfs/dbraw/zinc/46/96/64/499469664.db2.gz BVZWQXORAQWWBP-KRWDZBQOSA-N -1 3 366.461 3.410 20 0 FGADHM O=C(Nc1cnn(-c2ncccc2F)c1)c1cc([O-])ccc1C(F)(F)F ZINC000373494774 499473125 /nfs/dbraw/zinc/47/31/25/499473125.db2.gz CZTZUKPPNZEYMV-UHFFFAOYSA-N -1 3 366.274 3.383 20 0 FGADHM COCCN(C(=O)NCc1ccc([O-])c(F)c1)[C@@H]1CCCc2cccnc21 ZINC000373598906 499478994 /nfs/dbraw/zinc/47/89/94/499478994.db2.gz VZDZDCVMSBQGPI-QGZVFWFLSA-N -1 3 373.428 3.162 20 0 FGADHM Cn1ncc2c1ncc(C(=O)N1CC=C(c3cccc(Cl)c3)CC1)c2[O-] ZINC000373712381 499484584 /nfs/dbraw/zinc/48/45/84/499484584.db2.gz OLOSCXDZNUWJFJ-UHFFFAOYSA-N -1 3 368.824 3.257 20 0 FGADHM CC(C)c1nc2n(n1)CCC[C@H]2[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000378264248 499496202 /nfs/dbraw/zinc/49/62/02/499496202.db2.gz BVAVKKPADUOVMR-CYBMUJFWSA-N -1 3 372.853 3.007 20 0 FGADHM COc1cccc(C[C@H]2CCCN2C(=O)N=c2cc3ccccn3[n-]2)c1 ZINC000570354310 506147337 /nfs/dbraw/zinc/14/73/37/506147337.db2.gz KDOJQXZBLJUVEJ-MRXNPFEDSA-N -1 3 350.422 3.004 20 0 FGADHM COc1cc(C(=O)N2CC(Cc3ccccc3Cl)C2)cc(OC)c1[O-] ZINC000378322889 499501492 /nfs/dbraw/zinc/50/14/92/499501492.db2.gz XYUKDPFCJDYBIM-UHFFFAOYSA-N -1 3 361.825 3.378 20 0 FGADHM CCN1CCC(N(C(=O)c2ccc(Br)cc2[O-])C2CC2)CC1 ZINC000378367289 499507903 /nfs/dbraw/zinc/50/79/03/499507903.db2.gz QOBOYXBADAXOHY-UHFFFAOYSA-N -1 3 367.287 3.244 20 0 FGADHM O=C(c1cccc([O-])c1)N1CCC([C@H]2CCCCCN2C(=O)C2CC2)CC1 ZINC000378556163 499531223 /nfs/dbraw/zinc/53/12/23/499531223.db2.gz FTTQOEOMNSKNEN-HXUWFJFHSA-N -1 3 370.493 3.426 20 0 FGADHM C[C@H](CNC(=O)C[C@@](C)(C(=O)[O-])c1ccccc1)N(C)Cc1ccccc1 ZINC000390464169 499554834 /nfs/dbraw/zinc/55/48/34/499554834.db2.gz HCBHNUCHZNISAX-VGOFRKELSA-N -1 3 368.477 3.056 20 0 FGADHM O=S(=O)([N-]Cc1ccc2c(c1)CCCN2)c1cc(F)ccc1Cl ZINC000394499824 499561625 /nfs/dbraw/zinc/56/16/25/499561625.db2.gz MDERZOQDZSWGRD-UHFFFAOYSA-N -1 3 354.834 3.316 20 0 FGADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)N1CCC[C@@H](C(C)(C)C)C1 ZINC000408325743 499584100 /nfs/dbraw/zinc/58/41/00/499584100.db2.gz DLXIIKBAPXLERB-CYBMUJFWSA-N -1 3 356.470 3.450 20 0 FGADHM Cn1[n-]c(=NC(=O)N2CCCC3(C2)CCCCCC3)cc1OC(F)F ZINC000408381747 499586127 /nfs/dbraw/zinc/58/61/27/499586127.db2.gz NTAAVDJRAIEEHX-UHFFFAOYSA-N -1 3 356.417 3.412 20 0 FGADHM O=C(c1ccc(C(=O)N2CC[C@H]([C@@H]3CCOC3)C2)cc1)c1cccc([O-])c1 ZINC000376386997 499604927 /nfs/dbraw/zinc/60/49/27/499604927.db2.gz PJHILVUYUDCANA-RBUKOAKNSA-N -1 3 365.429 3.122 20 0 FGADHM CCN(C(=O)CN1C[C@@H](C(=O)[O-])CC[C@H]1C)c1cccc2ccccc21 ZINC000573247721 506152543 /nfs/dbraw/zinc/15/25/43/506152543.db2.gz JCILOATXVJAGBT-WBVHZDCISA-N -1 3 354.450 3.378 20 0 FGADHM C[C@@H](C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1ccc(C(F)(F)F)cc1 ZINC000410009991 499636169 /nfs/dbraw/zinc/63/61/69/499636169.db2.gz HRONYTJQQKNOCZ-YGRLFVJLSA-N -1 3 353.344 3.444 20 0 FGADHM CCOc1ccccc1OC1CCN(C(=O)/C=C/c2cncc([O-])c2)CC1 ZINC000376827307 499638194 /nfs/dbraw/zinc/63/81/94/499638194.db2.gz HQCXTSUJBJORIL-BQYQJAHWSA-N -1 3 368.433 3.269 20 0 FGADHM O=S(=O)([N-][C@@H]1CCCC[C@H]1OC(F)F)c1ccc(F)cc1Cl ZINC000410174566 499647017 /nfs/dbraw/zinc/64/70/17/499647017.db2.gz UGNQWODPHAYAMS-GHMZBOCLSA-N -1 3 357.781 3.308 20 0 FGADHM O=C1C[C@H](c2noc(/C=C/c3cccc([O-])c3)n2)CN1Cc1ccccc1 ZINC000376996360 499652602 /nfs/dbraw/zinc/65/26/02/499652602.db2.gz PECDGTBCKKGQKX-FVNWOWOISA-N -1 3 361.401 3.462 20 0 FGADHM Cc1cccc2oc(CC[N-]S(=O)(=O)c3cc(F)ccc3Cl)nc21 ZINC000410322755 499654840 /nfs/dbraw/zinc/65/48/40/499654840.db2.gz JZLWEYQWEMXTGE-UHFFFAOYSA-N -1 3 368.817 3.450 20 0 FGADHM COc1cc(C(=O)N[C@@H](C)c2nccn2-c2ccccc2)cc(OC)c1[O-] ZINC000377089221 499660986 /nfs/dbraw/zinc/66/09/86/499660986.db2.gz MFDZCJACDPIYON-ZDUSSCGKSA-N -1 3 367.405 3.086 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)c1-c1ccncc1 ZINC000377124403 499664209 /nfs/dbraw/zinc/66/42/09/499664209.db2.gz DWDKGHOXWRXGEV-ZIAGYGMSSA-N -1 3 354.360 3.222 20 0 FGADHM Cc1ccc(Cl)c(O[C@@H](C)C(=O)[N-]c2nncn2-c2cccnc2)c1 ZINC000377196624 499669908 /nfs/dbraw/zinc/66/99/08/499669908.db2.gz XJFUKUFIGSPFAN-LBPRGKRZSA-N -1 3 357.801 3.030 20 0 FGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)[C@@H](C)OCc1ccc(F)cc1 ZINC000410621644 499670898 /nfs/dbraw/zinc/67/08/98/499670898.db2.gz GRKZNEKHTHVSBK-LLVKDONJSA-N -1 3 364.373 3.097 20 0 FGADHM O=S(=O)(Cc1cccc(C(F)(F)F)c1)[N-]Cc1noc2c1CCCC2 ZINC000377296308 499677566 /nfs/dbraw/zinc/67/75/66/499677566.db2.gz MLDHBYNOBNZRHK-UHFFFAOYSA-N -1 3 374.384 3.192 20 0 FGADHM COc1ccccc1N1C[C@@H](c2nc(-c3ccc([O-])cc3)no2)CCC1=O ZINC000377417555 499688575 /nfs/dbraw/zinc/68/85/75/499688575.db2.gz GXNWRHZYVJWJPY-AWEZNQCLSA-N -1 3 365.389 3.361 20 0 FGADHM COc1ccc(N(CC2CC2)C(=O)CCc2c(C)nc(C)[n-]c2=O)cc1 ZINC000411040385 499692035 /nfs/dbraw/zinc/69/20/35/499692035.db2.gz HKUWGCLBNMOYQR-UHFFFAOYSA-N -1 3 355.438 3.183 20 0 FGADHM c1cnn(-c2ccccc2-c2noc(-c3n[n-]nc3-c3ccccc3)n2)c1 ZINC000576429457 506155518 /nfs/dbraw/zinc/15/55/18/506155518.db2.gz BRUBRZBPFLWDNG-UHFFFAOYSA-N -1 3 355.361 3.374 20 0 FGADHM COC(=O)c1cc([N-]C(=O)c2cc(COC(C)(C)C)on2)c(C)s1 ZINC000411097417 499697846 /nfs/dbraw/zinc/69/78/46/499697846.db2.gz BVSQAVYBEFAMMN-UHFFFAOYSA-N -1 3 352.412 3.399 20 0 FGADHM Cc1cncc(-c2cc([N-]C(=O)c3csc([C@H]4CCCO4)n3)no2)c1 ZINC000377620424 499711318 /nfs/dbraw/zinc/71/13/18/499711318.db2.gz DUAUFDRANIZNRC-CYBMUJFWSA-N -1 3 356.407 3.027 20 0 FGADHM COc1ccc(-n2c(CN[C@@H](C)[C@@H](C)C(=O)[O-])nc3ccccc32)cc1 ZINC000579365037 506156540 /nfs/dbraw/zinc/15/65/40/506156540.db2.gz KFFPLURZQYLLQD-KGLIPLIRSA-N -1 3 353.422 3.233 20 0 FGADHM 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MXVIBHMBLFAPSK-OCCSQVGLSA-N -1 3 355.463 3.267 20 0 FGADHM COC(=O)CC[C@H](NC(=O)c1ccc(C(C)=O)c([O-])c1)c1ccccc1 ZINC000412040289 499815840 /nfs/dbraw/zinc/81/58/40/499815840.db2.gz MFFJUHWFTVGCMG-KRWDZBQOSA-N -1 3 355.390 3.019 20 0 FGADHM COc1ccc(C(C)(C)CNC(=O)c2ccc(C(C)=O)c([O-])c2)cc1OC ZINC000412048378 499817059 /nfs/dbraw/zinc/81/70/59/499817059.db2.gz XMTOOWQUDFNGAG-UHFFFAOYSA-N -1 3 371.433 3.320 20 0 FGADHM COC(=O)[C@@H](C)CN(Cc1ccccc1)C(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000412116200 499824901 /nfs/dbraw/zinc/82/49/01/499824901.db2.gz HFHINGUAAKSNOM-AWEZNQCLSA-N -1 3 369.417 3.046 20 0 FGADHM C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1c[n-]c2ccncc2c1=O ZINC000412136492 499826957 /nfs/dbraw/zinc/82/69/57/499826957.db2.gz VZCVUMSDUBOFST-JSGCOSHPSA-N -1 3 351.381 3.080 20 0 FGADHM CCc1[n-][nH]c(=NC(=O)[C@@H](CC)CC(F)F)c1-c1ccc2c(c1)OCO2 ZINC000412144445 499827712 /nfs/dbraw/zinc/82/77/12/499827712.db2.gz BBQCBPRQJSASLD-JTQLQIEISA-N -1 3 365.380 3.410 20 0 FGADHM 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/nfs/dbraw/zinc/84/54/14/499845414.db2.gz OCJZHTMPEYVRHC-KRWDZBQOSA-N -1 3 360.841 3.281 20 0 FGADHM C[C@@H](CC(F)F)C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000413376842 499946848 /nfs/dbraw/zinc/94/68/48/499946848.db2.gz NFHBPXOKLMTXNK-ZETCQYMHSA-N -1 3 374.331 3.307 20 0 FGADHM COC(=O)c1c([N-]C(=O)c2ccc(F)c(F)c2F)sc2c1CCOC2 ZINC000416092320 499947444 /nfs/dbraw/zinc/94/74/44/499947444.db2.gz KNLBDRSEQPMCPD-UHFFFAOYSA-N -1 3 371.336 3.277 20 0 FGADHM CO[C@](C)([C@@H](C)NC(=O)NCc1ccc([O-])c(Br)c1)C1CC1 ZINC000413386220 499947807 /nfs/dbraw/zinc/94/78/07/499947807.db2.gz JUBHQJQJVNXUNN-QLJPJBMISA-N -1 3 371.275 3.158 20 0 FGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(NC(=O)NCC2(C)CCC2)ccc1F ZINC000428900042 499955112 /nfs/dbraw/zinc/95/51/12/499955112.db2.gz ANKPQILXPSDAAF-UHFFFAOYSA-N -1 3 371.478 3.214 20 0 FGADHM CCOc1ccc(F)c([N-]S(=O)(=O)C[C@H](CC(C)C)OC)c1F ZINC000421145801 499971184 /nfs/dbraw/zinc/97/11/84/499971184.db2.gz DENJAGRHBWUVNF-NSHDSACASA-N -1 3 351.415 3.166 20 0 FGADHM CCOC(=O)c1cnc([N-]C(=O)Nc2cc(C)c(Cl)cc2OC)n1C ZINC000417097040 499971268 /nfs/dbraw/zinc/97/12/68/499971268.db2.gz DJTARMQZTDYNRM-UHFFFAOYSA-N -1 3 366.805 3.211 20 0 FGADHM CC[C@H](CS(=O)(=O)[N-]c1cccc(COCc2ccco2)c1)OC ZINC000421149455 499973142 /nfs/dbraw/zinc/97/31/42/499973142.db2.gz GDDBXGBOZFYZQI-MRXNPFEDSA-N -1 3 353.440 3.163 20 0 FGADHM CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1cccc(Oc2cnccn2)c1 ZINC000421159914 499977348 /nfs/dbraw/zinc/97/73/48/499977348.db2.gz XLTZJDOZPREQEA-MRXNPFEDSA-N -1 3 365.455 3.072 20 0 FGADHM CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1ccc(N(C(C)=O)C2CC2)cc1 ZINC000421167359 499980426 /nfs/dbraw/zinc/98/04/26/499980426.db2.gz TXTKIOALLKLEMY-SFHVURJKSA-N -1 3 368.499 3.005 20 0 FGADHM CCCCc1noc(C[S@](=O)Cc2cc(=O)[n-]c(-c3ccccc3)n2)n1 ZINC000417149628 499988883 /nfs/dbraw/zinc/98/88/83/499988883.db2.gz DQSAGSMIELKZSJ-AREMUKBSSA-N -1 3 372.450 3.024 20 0 FGADHM CC[C@@H](CS(=O)(=O)[N-]c1cccc2c1CN(CCC(C)C)C2)OC ZINC000421232139 499997528 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CC[C@@H](C)[C@@H](C)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Br ZINC000421681186 500115507 /nfs/dbraw/zinc/11/55/07/500115507.db2.gz GNYZGACXHNJVSR-HTQZYQBOSA-N -1 3 356.186 3.251 20 0 FGADHM C[C@H]1CCCc2ccccc2[C@@H]1NC(=O)N=c1cc(OC(F)F)n(C)[n-]1 ZINC000429629829 500115653 /nfs/dbraw/zinc/11/56/53/500115653.db2.gz TYDDXYUAVPDDFB-MEDUHNTESA-N -1 3 364.396 3.279 20 0 FGADHM C[C@H](c1ccccc1Cl)N(C)C(=O)N=c1cc(OC(F)F)n(C)[n-]1 ZINC000429637183 500115837 /nfs/dbraw/zinc/11/58/37/500115837.db2.gz BNOBOJHWCCVYIU-SECBINFHSA-N -1 3 358.776 3.322 20 0 FGADHM COc1ccc([C@H](CCC(=O)[O-])NCc2cc3c(c(OC)c2)OCO3)cc1 ZINC000417582996 500116479 /nfs/dbraw/zinc/11/64/79/500116479.db2.gz VXCSVCBNHCYENR-INIZCTEOSA-N -1 3 373.405 3.128 20 0 FGADHM CCN(Cc1ccc(Cl)s1)C(=O)N=c1cc(OC(F)F)n(C)[n-]1 ZINC000429639948 500117017 /nfs/dbraw/zinc/11/70/17/500117017.db2.gz ZCOJRGUGHNNERK-UHFFFAOYSA-N -1 3 364.805 3.212 20 0 FGADHM CCC(C)(C)c1ccc(CNC(=O)N=c2cc(OC(F)F)n(C)[n-]2)cc1 ZINC000429647511 500117562 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CCOC(=O)c1c(C(C)C)csc1[N-]C(=O)c1conc1COC ZINC000425492959 500123029 /nfs/dbraw/zinc/12/30/29/500123029.db2.gz ULKDJTNFIPLHJM-UHFFFAOYSA-N -1 3 352.412 3.435 20 0 FGADHM CC[C@@H](CCC(=O)[O-])NCc1cc(OC)c(OC)cc1Br ZINC000417622703 500127208 /nfs/dbraw/zinc/12/72/08/500127208.db2.gz MKUAUUXEALNINH-NSHDSACASA-N -1 3 360.248 3.199 20 0 FGADHM CC(C)n1ncc2cc(CN[C@@H]3C[C@H](C(=O)[O-])c4ccccc43)cnc21 ZINC000417623585 500128618 /nfs/dbraw/zinc/12/86/18/500128618.db2.gz JUUAVFZMPSKXEO-ZWKOTPCHSA-N -1 3 350.422 3.415 20 0 FGADHM COC[C@@H](NCc1cn(C(C)(C)C)nc1-c1ccccc1Cl)C(=O)[O-] ZINC000417624915 500128636 /nfs/dbraw/zinc/12/86/36/500128636.db2.gz LKRAFQURTRSMIU-OAHLLOKOSA-N -1 3 365.861 3.148 20 0 FGADHM O=C([O-])[C@H]1CC(=O)N(CCNCc2ccc(-c3ccc(Cl)cc3)cc2)C1 ZINC000417624119 500128747 /nfs/dbraw/zinc/12/87/47/500128747.db2.gz KPZVPYCKBDMKMK-KRWDZBQOSA-N -1 3 372.852 3.030 20 0 FGADHM CC[C@H](CCC(=O)[O-])NCc1ccc(F)cc1I ZINC000417631074 500131182 /nfs/dbraw/zinc/13/11/82/500131182.db2.gz 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ZINC000425628996 500164247 /nfs/dbraw/zinc/16/42/47/500164247.db2.gz YCHKJEFIGRQNFB-BDAKNGLRSA-N -1 3 368.197 3.395 20 0 FGADHM CC[C@@H](NC(=O)N=c1cc2ccc(Br)cn2[n-]1)c1ccncc1 ZINC000429931975 500168454 /nfs/dbraw/zinc/16/84/54/500168454.db2.gz YKBZJINORZOWEB-CQSZACIVSA-N -1 3 374.242 3.187 20 0 FGADHM CN(C[C@@H]1CCCOC1)[C@@H](C(=O)[O-])c1ccc(Br)cc1F ZINC000573379565 506184085 /nfs/dbraw/zinc/18/40/85/506184085.db2.gz MLCULXJRXVJZBV-IINYFYTJSA-N -1 3 360.223 3.072 20 0 FGADHM CC(C)n1cnc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2cccc3ccccc32)c1 ZINC000430006611 500180523 /nfs/dbraw/zinc/18/05/23/500180523.db2.gz YSPXIIDZJPGHHI-ZWKOTPCHSA-N -1 3 355.463 3.452 20 0 FGADHM O=S(=O)([N-][C@@H]1C[C@H]1C1CC1)c1cc(Cl)ccc1Br ZINC000430031432 500183138 /nfs/dbraw/zinc/18/31/38/500183138.db2.gz LJFOWENUYYBQDC-GXSJLCMTSA-N -1 3 350.665 3.179 20 0 FGADHM O=S(=O)(Cc1cc(Cl)ccc1Br)[N-][C@H]1CCC[C@H]1F ZINC000579467444 506182222 /nfs/dbraw/zinc/18/22/22/506182222.db2.gz FPGHNURZBZGLDB-NEPJUHHUSA-N -1 3 370.671 3.413 20 0 FGADHM COCCCCS(=O)(=O)[N-]c1ccc(-c2nc(C3CC3)no2)cc1C ZINC000573376978 506182987 /nfs/dbraw/zinc/18/29/87/506182987.db2.gz SKCDGGUINBJGMS-UHFFFAOYSA-N -1 3 365.455 3.091 20 0 FGADHM NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)c(F)c1 ZINC000425976933 500220230 /nfs/dbraw/zinc/22/02/30/500220230.db2.gz SUGOFCJMGQGVCE-UHFFFAOYSA-N -1 3 370.405 3.392 20 0 FGADHM CCOc1nc2cc(C(=O)N3CCC[C@H](OCC(F)(F)F)C3)ccc2[n-]1 ZINC000576547521 506183203 /nfs/dbraw/zinc/18/32/03/506183203.db2.gz LUXBURZPZPOOLB-LBPRGKRZSA-N -1 3 371.359 3.145 20 0 FGADHM CCOc1nc2ccc(C(=O)N3CCC[C@H](OCC(F)(F)F)C3)cc2[n-]1 ZINC000576547521 506183204 /nfs/dbraw/zinc/18/32/04/506183204.db2.gz LUXBURZPZPOOLB-LBPRGKRZSA-N -1 3 371.359 3.145 20 0 FGADHM COC(=O)c1nc(NC(=O)Cc2ccc([O-])cc2Cl)sc1C1CC1 ZINC000430380089 500233413 /nfs/dbraw/zinc/23/34/13/500233413.db2.gz VQPMIXBCALKDRC-UHFFFAOYSA-N -1 3 366.826 3.347 20 0 FGADHM COc1ccc2c(c1)OC(C)(C)CN(C(=O)NCc1ccc([O-])c(F)c1)C2 ZINC000422240553 500239466 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351.454 3.401 20 0 FGADHM O=c1nc(CN2CCC[C@@H]2CCO)[n-]c2sc(-c3ccccc3)cc21 ZINC000426270476 500255543 /nfs/dbraw/zinc/25/55/43/500255543.db2.gz XLECLOPDDJIGHD-CQSZACIVSA-N -1 3 355.463 3.411 20 0 FGADHM COC(=O)c1ccc(-c2nc(-c3cccc(NC(=O)C(C)C)c3)no2)[n-]1 ZINC000426405400 500270233 /nfs/dbraw/zinc/27/02/33/500270233.db2.gz MCNJGWWNLIDZHN-UHFFFAOYSA-N -1 3 354.366 3.113 20 0 FGADHM CCC[C@@H](NC(=O)c1ccccc1)c1noc(-c2ccc(C(=O)OC)[n-]2)n1 ZINC000426461266 500275112 /nfs/dbraw/zinc/27/51/12/500275112.db2.gz PTVJHMSSHZTEQW-CYBMUJFWSA-N -1 3 368.393 3.123 20 0 FGADHM COc1ccccc1C[C@H](CNCc1nc2c(s1)C[C@@H](C)CC2)C(=O)[O-] ZINC000426632342 500298155 /nfs/dbraw/zinc/29/81/55/500298155.db2.gz VEPMFAVKKRITMV-DZGCQCFKSA-N -1 3 374.506 3.310 20 0 FGADHM CC(C)COc1ccc(CNC[C@H](Oc2ccc(F)cc2)C(=O)[O-])cc1 ZINC000426647686 500300210 /nfs/dbraw/zinc/30/02/10/500300210.db2.gz OMWCCBJUMUJYHO-IBGZPJMESA-N -1 3 361.413 3.482 20 0 FGADHM COc1c(Cl)cc(Cl)cc1CN[C@@H](Cc1ccc(O)cc1)C(=O)[O-] ZINC000426654059 500301608 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COc1cccc(C[C@@H](NCc2ccccc2Br)C(=O)[O-])c1 ZINC000426766935 500317765 /nfs/dbraw/zinc/31/77/65/500317765.db2.gz IFQINAATVOIXRH-MRXNPFEDSA-N -1 3 364.239 3.243 20 0 FGADHM COc1cc2c(c(CN[C@@H](Cc3cc(C)cc(C)c3)C(=O)[O-])c1)O[C@H](C)C2 ZINC000426775978 500319138 /nfs/dbraw/zinc/31/91/38/500319138.db2.gz DKMHIYASFKSSDJ-QRWLVFNGSA-N -1 3 369.461 3.421 20 0 FGADHM Cc1cc([C@@H](NCc2ccc(-n3cncn3)c(C)c2)C(=O)[O-])ccc1Cl ZINC000426806511 500322992 /nfs/dbraw/zinc/32/29/92/500322992.db2.gz BZRZDXJBOQJGET-GOSISDBHSA-N -1 3 370.840 3.453 20 0 FGADHM COc1ccc(CN[C@H](C(=O)[O-])c2ccc(F)cc2)cc1OC(F)F ZINC000426806654 500323174 /nfs/dbraw/zinc/32/31/74/500323174.db2.gz KOLVBWOQHTWTBB-HNNXBMFYSA-N -1 3 355.312 3.351 20 0 FGADHM COc1ccc([C@H](NCc2ccc(OC)c(Cl)c2)C(=O)[O-])cc1F ZINC000426818538 500324822 /nfs/dbraw/zinc/32/48/22/500324822.db2.gz FWOPXWHJPUMPHQ-INIZCTEOSA-N -1 3 353.777 3.412 20 0 FGADHM CCOc1c(Cl)cc(CN[C@@H](Cc2ccco2)C(=O)[O-])cc1OC ZINC000426820332 500325027 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CCOC(=O)c1cc(COC)cc([N-]S(=O)(=O)CCC(C)(C)C)c1 ZINC000427318642 500381160 /nfs/dbraw/zinc/38/11/60/500381160.db2.gz ATYMBFVAKSOLPG-UHFFFAOYSA-N -1 3 357.472 3.188 20 0 FGADHM O=C(CCSCc1cc(=O)[n-]c(C2CC2)n1)NCc1ccc(F)cc1 ZINC000419589259 500382340 /nfs/dbraw/zinc/38/23/40/500382340.db2.gz PVQCTYGRVWDDBQ-UHFFFAOYSA-N -1 3 361.442 3.138 20 0 FGADHM CCOc1cc(C(=O)NC[C@@H]2NCCc3ccccc32)cc(Cl)c1[O-] ZINC000423663448 500393122 /nfs/dbraw/zinc/39/31/22/500393122.db2.gz GHBPLBBRQPDURV-INIZCTEOSA-N -1 3 360.841 3.061 20 0 FGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)C(F)F)c(C)c1 ZINC000431626200 500400483 /nfs/dbraw/zinc/40/04/83/500400483.db2.gz UIVRJFMILMXUJW-HNNXBMFYSA-N -1 3 369.389 3.066 20 0 FGADHM C[C@H](NC(=O)CNC(=O)c1cccc([O-])c1)C1(c2ccccc2)CCCC1 ZINC000427811138 500435652 /nfs/dbraw/zinc/43/56/52/500435652.db2.gz KXXQJSVGNXIPHB-INIZCTEOSA-N -1 3 366.461 3.139 20 0 FGADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000427829437 500438460 /nfs/dbraw/zinc/43/84/60/500438460.db2.gz CPVXHJDOOAACBC-UHFFFAOYSA-N -1 3 372.656 3.426 20 0 FGADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000427829437 500438463 /nfs/dbraw/zinc/43/84/63/500438463.db2.gz CPVXHJDOOAACBC-UHFFFAOYSA-N -1 3 372.656 3.426 20 0 FGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000427829437 500438467 /nfs/dbraw/zinc/43/84/67/500438467.db2.gz CPVXHJDOOAACBC-UHFFFAOYSA-N -1 3 372.656 3.426 20 0 FGADHM Cc1ccc(SC2(C[N-]S(=O)(=O)c3c[nH]cn3)CCCC2)cc1 ZINC000431892550 500439787 /nfs/dbraw/zinc/43/97/87/500439787.db2.gz VKVFPZFEVHSHKV-UHFFFAOYSA-N -1 3 351.497 3.102 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)c1c[nH]cc1-c1ccc2c(c1)OCCO2 ZINC000427944382 500448514 /nfs/dbraw/zinc/44/85/14/500448514.db2.gz GZGMXANKVCXANW-UHFFFAOYSA-N -1 3 368.364 3.228 20 0 FGADHM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(C(C)=O)ccc2Cl)cs1 ZINC000432051263 500460550 /nfs/dbraw/zinc/46/05/50/500460550.db2.gz DAHFFWPKUHKECU-UHFFFAOYSA-N -1 3 373.839 3.192 20 0 FGADHM CCCc1c([N-]S(=O)(=O)N(C)CC2CC2)cnn1-c1ccccc1C ZINC000432051438 500460595 /nfs/dbraw/zinc/46/05/95/500460595.db2.gz UXZRNQSLCYTPML-UHFFFAOYSA-N -1 3 362.499 3.132 20 0 FGADHM CCN(C(=O)CN1CCCC[C@H]1CCC(=O)[O-])[C@H](C)c1ccc(F)cc1 ZINC000424252575 500475103 /nfs/dbraw/zinc/47/51/03/500475103.db2.gz DMZRCBRFNLQHHI-QAPCUYQASA-N -1 3 364.461 3.455 20 0 FGADHM CCN(C(=O)CN1CCCC[C@@H]1CCC(=O)[O-])[C@@H](C)c1ccc(F)cc1 ZINC000424252573 500475323 /nfs/dbraw/zinc/47/53/23/500475323.db2.gz DMZRCBRFNLQHHI-MAUKXSAKSA-N -1 3 364.461 3.455 20 0 FGADHM C[C@@H](Cc1cccs1)[N-]S(=O)(=O)c1cc(F)ccc1OC(F)F ZINC000420651830 500483499 /nfs/dbraw/zinc/48/34/99/500483499.db2.gz ILFIZMBPVIJBKV-VIFPVBQESA-N -1 3 365.398 3.398 20 0 FGADHM CC[C@@H](CS(=O)(=O)[N-]c1cc(Cl)ccc1N1CCCCC1)OC ZINC000420659870 500484284 /nfs/dbraw/zinc/48/42/84/500484284.db2.gz XGALPANRYQKZCD-AWEZNQCLSA-N -1 3 360.907 3.497 20 0 FGADHM CC[C@H](C)[C@](C)(O)C[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000420680852 500487660 /nfs/dbraw/zinc/48/76/60/500487660.db2.gz WTYMGGPUYFWAFS-LKFCYVNXSA-N -1 3 371.833 3.017 20 0 FGADHM O=S(=O)([N-]C[C@H]1CCCS1)c1cc(Cl)ccc1OC(F)F ZINC000420705017 500490243 /nfs/dbraw/zinc/49/02/43/500490243.db2.gz WFSNJTGGFKWTCZ-SECBINFHSA-N -1 3 357.831 3.115 20 0 FGADHM CCC[C@H](CC)S(=O)(=O)[N-]c1cnn(Cc2ccc(OC)cc2)c1 ZINC000570573742 506198687 /nfs/dbraw/zinc/19/86/87/506198687.db2.gz RSVXBYVFKGAWHZ-KRWDZBQOSA-N -1 3 351.472 3.260 20 0 FGADHM CC[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)CCO1 ZINC000420718726 500491184 /nfs/dbraw/zinc/49/11/84/500491184.db2.gz FRTDIAYHONXILU-MNOVXSKESA-N -1 3 355.353 3.080 20 0 FGADHM COC1CCC([N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)F)CC1 ZINC000420743279 500493601 /nfs/dbraw/zinc/49/36/01/500493601.db2.gz DTEWRIDOTZFNRH-UHFFFAOYSA-N -1 3 369.817 3.177 20 0 FGADHM Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC[C@H](CC(C)C)C(=O)[O-])N(C)C ZINC000424447846 500507147 /nfs/dbraw/zinc/50/71/47/500507147.db2.gz IWQHRHDMEOJZCC-RYRKJORJSA-N -1 3 363.502 3.032 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@@]3(C)C[C@@H]3F)cc2)cc1 ZINC000424519146 500512820 /nfs/dbraw/zinc/51/28/20/500512820.db2.gz AGASJPKWLSZJCI-WMZOPIPTSA-N -1 3 362.426 3.482 20 0 FGADHM COC(=O)c1cnc(SCc2c3ccccc3sc2C(=O)OC)[n-]1 ZINC000432667026 500546396 /nfs/dbraw/zinc/54/63/96/500546396.db2.gz GRDHQJRUYJNHAC-UHFFFAOYSA-N -1 3 362.432 3.490 20 0 FGADHM COC(=O)c1ccc(C(=O)Nc2ccc3oc(C(F)(F)F)nc3c2)[n-]1 ZINC000432774415 500561727 /nfs/dbraw/zinc/56/17/27/500561727.db2.gz BUTHVSCZXNTGMO-UHFFFAOYSA-N -1 3 353.256 3.214 20 0 FGADHM CCc1ccc([O-])c(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCOC)c1 ZINC000428847941 500565849 /nfs/dbraw/zinc/56/58/49/500565849.db2.gz HLDYPFZLRNLPTP-UHFFFAOYSA-N -1 3 368.433 3.133 20 0 FGADHM COC(=O)c1ccsc1[N-]C(=O)C(=O)Nc1cccc2ccsc21 ZINC000442230246 500573312 /nfs/dbraw/zinc/57/33/12/500573312.db2.gz DIAKCHAUUVHFCV-UHFFFAOYSA-N -1 3 360.416 3.327 20 0 FGADHM CN(C)CCOc1cccc(CNC(=O)c2cc(F)cc(Cl)c2[O-])c1 ZINC000436937873 500573954 /nfs/dbraw/zinc/57/39/54/500573954.db2.gz GTTNWUIPPZKCNS-UHFFFAOYSA-N -1 3 366.820 3.055 20 0 FGADHM COCCOCc1noc(-c2cc(OCc3ccccc3)ccc2[O-])n1 ZINC000436936268 500574039 /nfs/dbraw/zinc/57/40/39/500574039.db2.gz AMICHXIDSNPVEK-UHFFFAOYSA-N -1 3 356.378 3.184 20 0 FGADHM COc1ccc(Cl)cc1NC(=O)CCNC(=O)c1ccc([O-])c(C)c1 ZINC000436939697 500575134 /nfs/dbraw/zinc/57/51/34/500575134.db2.gz PXAZRSXNYMVQDN-UHFFFAOYSA-N -1 3 362.813 3.121 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N[C@@H](c2cccs2)C2CC2)c([O-])c1 ZINC000436949493 500576873 /nfs/dbraw/zinc/57/68/73/500576873.db2.gz SFMOYGGFZWTMCI-GOSISDBHSA-N -1 3 358.463 3.150 20 0 FGADHM CC(C)OC[C@H](CO)N(C)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436953182 500578489 /nfs/dbraw/zinc/57/84/89/500578489.db2.gz MRDFFDDOBMCYKG-IBGZPJMESA-N -1 3 371.477 3.035 20 0 FGADHM COc1ccccc1C1(CNC(=O)c2cc(NC(C)=O)ccc2[O-])CCC1 ZINC000436957396 500579324 /nfs/dbraw/zinc/57/93/24/500579324.db2.gz XLCAEYQWYBAENL-UHFFFAOYSA-N -1 3 368.433 3.211 20 0 FGADHM Cc1ccc(-c2nc(Cc3nc(-c4ccccc4)nn3C)no2)c([O-])c1C ZINC000436964790 500580891 /nfs/dbraw/zinc/58/08/91/500580891.db2.gz QWBIAXVNXKBAHS-UHFFFAOYSA-N -1 3 361.405 3.445 20 0 FGADHM CCCCOc1ccc(C(=O)N2CCC(CC(=O)OCC)CC2)c([O-])c1 ZINC000436971226 500582773 /nfs/dbraw/zinc/58/27/73/500582773.db2.gz IXIDAWJZDAQELC-UHFFFAOYSA-N -1 3 363.454 3.377 20 0 FGADHM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3ccc(-c4ccco4)cc3F)cc2[nH]1 ZINC000447271654 500582954 /nfs/dbraw/zinc/58/29/54/500582954.db2.gz SIUYELCUYHVDJC-UHFFFAOYSA-N -1 3 373.365 3.468 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CC[C@@H](C(C)C)C2)c1 ZINC000436975823 500584814 /nfs/dbraw/zinc/58/48/14/500584814.db2.gz NHIYLYABVQAZFF-CYBMUJFWSA-N -1 3 357.410 3.059 20 0 FGADHM CCCCOc1ccc(C(=O)NC[C@@H](CCO)c2ccccc2)c([O-])c1 ZINC000436985611 500587202 /nfs/dbraw/zinc/58/72/02/500587202.db2.gz IAPHODKYDXATFI-QGZVFWFLSA-N -1 3 357.450 3.467 20 0 FGADHM CCc1ccc(C(=O)Nc2ccc(Cc3nnc4n3CCC4)cc2)c([O-])c1 ZINC000436992053 500588225 /nfs/dbraw/zinc/58/82/25/500588225.db2.gz TVNQGHGXNZVZSG-UHFFFAOYSA-N -1 3 362.433 3.335 20 0 FGADHM C/C=C/C[C@H](NCc1ccc(OC)c([O-])c1Br)C(=O)OCC ZINC000432906076 500589228 /nfs/dbraw/zinc/58/92/28/500589228.db2.gz MDHLBPAAFHAZIH-FUEXJSSKSA-N -1 3 372.259 3.151 20 0 FGADHM O=C(CCSc1n[n-]c(-c2ccccn2)n1)c1ccc2c(c1)OCCO2 ZINC000447310476 500590089 /nfs/dbraw/zinc/59/00/89/500590089.db2.gz YEOHNBHTMGDHBA-UHFFFAOYSA-N -1 3 368.418 3.003 20 0 FGADHM CCn1c(NC(=O)c2cc(OC)c([O-])c(OC)c2)nc2ccc(F)cc21 ZINC000436998766 500590700 /nfs/dbraw/zinc/59/07/00/500590700.db2.gz PZRXQPCQGBZECP-UHFFFAOYSA-N -1 3 359.357 3.170 20 0 FGADHM O=C(N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1)c1c([O-])cccc1O ZINC000437000180 500590812 /nfs/dbraw/zinc/59/08/12/500590812.db2.gz OBPKHQCWIXBBEJ-NSHDSACASA-N -1 3 367.232 3.413 20 0 FGADHM Cc1cc(S(=O)(=O)[N-][C@H](c2cc(F)ccc2F)C(F)F)c(C)o1 ZINC000432968173 500599723 /nfs/dbraw/zinc/59/97/23/500599723.db2.gz VTMFIMYCHPTHAS-CYBMUJFWSA-N -1 3 351.321 3.459 20 0 FGADHM O=C(NC[C@H]1CCC[C@@H](C(F)(F)F)C1)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000437126403 500605413 /nfs/dbraw/zinc/60/54/13/500605413.db2.gz UMAUAMOZYRMLDT-VHSXEESVSA-N -1 3 369.343 3.060 20 0 FGADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1ncccc1Oc1ccccc1 ZINC000442647101 500608098 /nfs/dbraw/zinc/60/80/98/500608098.db2.gz KZFFDEIBWLVQTD-UHFFFAOYSA-N -1 3 372.388 3.230 20 0 FGADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1ncccc1Oc1ccccc1 ZINC000442647101 500608099 /nfs/dbraw/zinc/60/80/99/500608099.db2.gz KZFFDEIBWLVQTD-UHFFFAOYSA-N -1 3 372.388 3.230 20 0 FGADHM CCS[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000442735658 500617027 /nfs/dbraw/zinc/61/70/27/500617027.db2.gz ZAOUFXIFKUPWLJ-WDEREUQCSA-N -1 3 354.419 3.053 20 0 FGADHM C[C@H](NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F)c1cccs1 ZINC000442855851 500635486 /nfs/dbraw/zinc/63/54/86/500635486.db2.gz CDYPIXRSGRHFAA-JTQLQIEISA-N -1 3 362.879 3.170 20 0 FGADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)C(C)(C)CC(C)C)c2)[n-]1 ZINC000447679181 500644508 /nfs/dbraw/zinc/64/45/08/500644508.db2.gz NDYFLGKFGIWPDL-UHFFFAOYSA-N -1 3 372.469 3.337 20 0 FGADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)C(C)(C)CC(C)C)c2)n[n-]1 ZINC000447679181 500644509 /nfs/dbraw/zinc/64/45/09/500644509.db2.gz NDYFLGKFGIWPDL-UHFFFAOYSA-N -1 3 372.469 3.337 20 0 FGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000442910568 500645929 /nfs/dbraw/zinc/64/59/29/500645929.db2.gz DSBKMDLMXKGIDK-HZSPNIEDSA-N -1 3 371.524 3.480 20 0 FGADHM CC(C)C(=O)N1CCC(C(=O)Nc2ccc(OC(F)(F)F)cc2[O-])CC1 ZINC000442921599 500647714 /nfs/dbraw/zinc/64/77/14/500647714.db2.gz JSBHSMJWWYOKBT-UHFFFAOYSA-N -1 3 374.359 3.124 20 0 FGADHM CCOc1ccc([C@H]2CCCN2C(=O)c2cc(F)cc3[n-]nnc32)cc1 ZINC000433229401 500651401 /nfs/dbraw/zinc/65/14/01/500651401.db2.gz DOSCHOCORYUZDK-QGZVFWFLSA-N -1 3 354.385 3.473 20 0 FGADHM CCOc1ccc([C@H]2CCCN2C(=O)c2cc(F)cc3nn[n-]c32)cc1 ZINC000433229401 500651404 /nfs/dbraw/zinc/65/14/04/500651404.db2.gz DOSCHOCORYUZDK-QGZVFWFLSA-N -1 3 354.385 3.473 20 0 FGADHM CCOc1ccc([C@H]2CCCN2C(=O)c2cc(F)cc3n[n-]nc32)cc1 ZINC000433229401 500651407 /nfs/dbraw/zinc/65/14/07/500651407.db2.gz DOSCHOCORYUZDK-QGZVFWFLSA-N -1 3 354.385 3.473 20 0 FGADHM CCCC(=O)N1CCC[C@H]1C(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000442946734 500652136 /nfs/dbraw/zinc/65/21/36/500652136.db2.gz RSCGQZDPHQGUMD-LBPRGKRZSA-N -1 3 360.332 3.020 20 0 FGADHM C[C@@H](CCC(C)(C)C)NS(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000442954434 500652917 /nfs/dbraw/zinc/65/29/17/500652917.db2.gz FMSAGAWVRYHYLS-JTQLQIEISA-N -1 3 371.894 3.013 20 0 FGADHM C[C@@H](CCC(C)(C)C)NS(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000442954434 500652918 /nfs/dbraw/zinc/65/29/18/500652918.db2.gz FMSAGAWVRYHYLS-JTQLQIEISA-N -1 3 371.894 3.013 20 0 FGADHM O=C(c1ccccc1[O-])N1CCN(CCCCCOc2ccccc2)CC1 ZINC000437596263 500666207 /nfs/dbraw/zinc/66/62/07/500666207.db2.gz WHFTWACVOORJJQ-UHFFFAOYSA-N -1 3 368.477 3.399 20 0 FGADHM COc1cc(C(=O)N[C@@H]2CCN(C)[C@H]2c2ccc(Cl)cc2)ccc1[O-] ZINC000443064376 500672486 /nfs/dbraw/zinc/67/24/86/500672486.db2.gz YBFXNYNEZGBMEJ-QAPCUYQASA-N -1 3 360.841 3.229 20 0 FGADHM CC[C@@H](CNC(=O)c1cc(F)cc2nn[n-]c21)Oc1ccccc1Cl ZINC000433377979 500684498 /nfs/dbraw/zinc/68/44/98/500684498.db2.gz SBINSLCFHGKJJK-NSHDSACASA-N -1 3 362.792 3.338 20 0 FGADHM CC[C@@H](CNC(=O)c1cc(F)cc2[n-]nnc21)Oc1ccccc1Cl ZINC000433377979 500684502 /nfs/dbraw/zinc/68/45/02/500684502.db2.gz SBINSLCFHGKJJK-NSHDSACASA-N -1 3 362.792 3.338 20 0 FGADHM CC[C@@H](CNC(=O)c1cc(F)cc2n[n-]nc21)Oc1ccccc1Cl ZINC000433377979 500684505 /nfs/dbraw/zinc/68/45/05/500684505.db2.gz SBINSLCFHGKJJK-NSHDSACASA-N -1 3 362.792 3.338 20 0 FGADHM CO[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000443154134 500688785 /nfs/dbraw/zinc/68/87/85/500688785.db2.gz IHKBSEXCPOHSKY-KBPBESRZSA-N -1 3 352.283 3.370 20 0 FGADHM COc1cc(C(=O)NCc2ccc(Br)cc2OC)ccc1[O-] ZINC000443211756 500697359 /nfs/dbraw/zinc/69/73/59/500697359.db2.gz LDLKMGZGLPLZCP-UHFFFAOYSA-N -1 3 366.211 3.102 20 0 FGADHM CC[C@H](O)CCC[N-]S(=O)(=O)c1ccc(-c2csc(C)n2)s1 ZINC000443245402 500700425 /nfs/dbraw/zinc/70/04/25/500700425.db2.gz GEAPULHTTYZCDC-NSHDSACASA-N -1 3 360.526 3.009 20 0 FGADHM CC[C@@H](C)[C@@H](O)C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000443266114 500701879 /nfs/dbraw/zinc/70/18/79/500701879.db2.gz TVPBJYZCZDCSJV-KCJUWKMLSA-N -1 3 359.797 3.044 20 0 FGADHM CC[C@H](C)[C@@](C)(O)C[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000443307242 500706848 /nfs/dbraw/zinc/70/68/48/500706848.db2.gz NZJKNWAPVJIVOW-HZMBPMFUSA-N -1 3 354.299 3.377 20 0 FGADHM CC[C@@H](C[C@@H](C)CO)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000443329488 500710650 /nfs/dbraw/zinc/71/06/50/500710650.db2.gz MCYCFCXWKUYGRZ-KOLCDFICSA-N -1 3 373.824 3.434 20 0 FGADHM CC[C@H](C[C@H](C)CO)[N-]S(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000443333977 500711081 /nfs/dbraw/zinc/71/10/81/500711081.db2.gz LHLZMVFIUGGRFV-VHSXEESVSA-N -1 3 370.298 3.077 20 0 FGADHM COC(=O)c1sccc1S(=O)(=O)[N-]Cc1ccc(C)cc1SC ZINC000443351399 500714183 /nfs/dbraw/zinc/71/41/83/500714183.db2.gz MSCJVWOGNRNSBW-UHFFFAOYSA-N -1 3 371.505 3.044 20 0 FGADHM CO[C@H]1C[C@H](NC(=O)c2ccc(C(=O)c3cccc([O-])c3)cc2)C12CCC2 ZINC000570658969 506211132 /nfs/dbraw/zinc/21/11/32/506211132.db2.gz ORHMLWPCDRFMEC-OALUTQOASA-N -1 3 365.429 3.311 20 0 FGADHM O=C(CCCNC(=O)c1ccco1)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000443566332 500739297 /nfs/dbraw/zinc/73/92/97/500739297.db2.gz LRAIDZWUEQGVHX-UHFFFAOYSA-N -1 3 372.299 3.033 20 0 FGADHM CO[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(C)c(Br)s1 ZINC000433825643 500750740 /nfs/dbraw/zinc/75/07/40/500750740.db2.gz ZYNXRXPTZLOVQL-ZJUUUORDSA-N -1 3 368.318 3.055 20 0 FGADHM CN(C)c1ccc(S(=O)(=O)[N-]c2ccc3nc(C4CCC4)[nH]c3c2)cn1 ZINC000448536113 500768752 /nfs/dbraw/zinc/76/87/52/500768752.db2.gz BCBSADCTPYCOOL-UHFFFAOYSA-N -1 3 371.466 3.092 20 0 FGADHM CCOC(=O)[C@H]1CCCN(C(=O)CCc2ccc3ccccc3c2[O-])C1 ZINC000448560842 500772833 /nfs/dbraw/zinc/77/28/33/500772833.db2.gz KBKLZROEVXNIOI-KRWDZBQOSA-N -1 3 355.434 3.280 20 0 FGADHM CC[C@H](C)[C@H]([N-]S(=O)(=O)c1ccc2c(c1)C[C@H](C)O2)C(F)(F)F ZINC000443936057 500780330 /nfs/dbraw/zinc/78/03/30/500780330.db2.gz NQDYEIDVJWXKEI-BHDSKKPTSA-N -1 3 351.390 3.265 20 0 FGADHM CC(C)OC(=O)C[C@H](NC(=O)Cc1ccc([O-])c(F)c1)c1ccccc1 ZINC000448613438 500786124 /nfs/dbraw/zinc/78/61/24/500786124.db2.gz DJZOHMJPGAHVHF-KRWDZBQOSA-N -1 3 359.397 3.273 20 0 FGADHM COC(=O)c1[n-]c(=NC2CCN([C@@H](C)c3ccccc3)CC2)sc1C ZINC000434105513 500796387 /nfs/dbraw/zinc/79/63/87/500796387.db2.gz ZZCZCIQHPBBSHI-ZDUSSCGKSA-N -1 3 359.495 3.298 20 0 FGADHM CCOc1ccc(C[N-]S(=O)(=O)c2ccccc2SC)cc1OC ZINC000444061908 500797847 /nfs/dbraw/zinc/79/78/47/500797847.db2.gz ZURSLXHOGNNIJY-UHFFFAOYSA-N -1 3 367.492 3.294 20 0 FGADHM Cc1cc(Br)cc(S(=O)(=O)[N-]c2ccnc(N(C)C)c2)c1 ZINC000444058436 500798045 /nfs/dbraw/zinc/79/80/45/500798045.db2.gz YKUUTNYARZYEAT-UHFFFAOYSA-N -1 3 370.272 3.019 20 0 FGADHM C[C@H](Cc1ccncc1)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC000444091262 500801262 /nfs/dbraw/zinc/80/12/62/500801262.db2.gz OKUOSRHOLDMMNV-SNVBAGLBSA-N -1 3 362.348 3.149 20 0 FGADHM CC(C)CC(CC(C)C)C(=O)Nc1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000448705748 500809359 /nfs/dbraw/zinc/80/93/59/500809359.db2.gz CSJODHCMHWORPK-HXUWFJFHSA-N -1 3 359.470 3.388 20 0 FGADHM C[C@@H]1COCC[C@H]1C(=O)N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1 ZINC000444303722 500832559 /nfs/dbraw/zinc/83/25/59/500832559.db2.gz DSTJTIJCNUCXTI-NOZJJQNGSA-N -1 3 354.237 3.417 20 0 FGADHM Cc1cc(CN(C)C(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])ccc1F ZINC000444422069 500845895 /nfs/dbraw/zinc/84/58/95/500845895.db2.gz DZLPYTLOUFFREL-GOSISDBHSA-N -1 3 370.424 3.103 20 0 FGADHM CCCN(C(=O)Cc1ccc([O-])c(F)c1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000448848363 500850586 /nfs/dbraw/zinc/85/05/86/500850586.db2.gz ZFZUHQYHEOBISZ-AWEZNQCLSA-N -1 3 358.413 3.340 20 0 FGADHM O=C(c1ccc2c(c1)C(=O)[N-]C2=O)N1C[C@@H](c2ccccc2)c2ccccc21 ZINC000444511017 500854967 /nfs/dbraw/zinc/85/49/67/500854967.db2.gz IIMVLQOYNHYPPD-IBGZPJMESA-N -1 3 368.392 3.363 20 0 FGADHM C[C@@H](c1cccc(NC(=O)Cc2ccc([O-])c(F)c2)c1)N1CCOCC1 ZINC000448912534 500867579 /nfs/dbraw/zinc/86/75/79/500867579.db2.gz SOMOGCGJUZDQGO-AWEZNQCLSA-N -1 3 358.413 3.106 20 0 FGADHM C[C@H](c1ccc(NC(=O)Cc2ccc([O-])c(F)c2)cc1)N1CCOCC1 ZINC000448918314 500869104 /nfs/dbraw/zinc/86/91/04/500869104.db2.gz QXBZLZGWACXPFZ-CQSZACIVSA-N -1 3 358.413 3.106 20 0 FGADHM COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1cc(NC(C)=O)ccc1F ZINC000434630117 500869763 /nfs/dbraw/zinc/86/97/63/500869763.db2.gz KCTNTIQIQUVMGD-UHFFFAOYSA-N -1 3 366.414 3.210 20 0 FGADHM CCC[C@@]1(C(=O)OCC)CCCN1C(=O)Cc1ccc([O-])cc1Cl ZINC000444630858 500870197 /nfs/dbraw/zinc/87/01/97/500870197.db2.gz QUUGTLFXZBOOPZ-SFHVURJKSA-N -1 3 353.846 3.313 20 0 FGADHM CC[C@H](CC(F)(F)F)C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000448985265 500886878 /nfs/dbraw/zinc/88/68/78/500886878.db2.gz WKWDQKQDYFJORC-GFCCVEGCSA-N -1 3 372.387 3.092 20 0 FGADHM CC(C)(C)C[C@H](NC(=O)CN1CC[C@@](C)(C(=O)[O-])C1)c1ccc(F)cc1 ZINC000449082595 500920468 /nfs/dbraw/zinc/92/04/68/500920468.db2.gz OLRKPRXFZCGGSX-OXJNMPFZSA-N -1 3 364.461 3.216 20 0 FGADHM COc1cc(C)cc(-c2nc(CC(=O)Nc3cccc(C)c3)no2)c1[O-] ZINC000445313972 500972214 /nfs/dbraw/zinc/97/22/14/500972214.db2.gz FCCZYRPZSRTWMQ-UHFFFAOYSA-N -1 3 353.378 3.249 20 0 FGADHM CCOc1ccccc1NC(=O)Cc1noc(-c2cccc(C)c2[O-])n1 ZINC000445345046 500975986 /nfs/dbraw/zinc/97/59/86/500975986.db2.gz WGUHEWISZGQYAS-UHFFFAOYSA-N -1 3 353.378 3.331 20 0 FGADHM COc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2C[C@H]2c2c(F)cccc2F)c1 ZINC000435435059 500976036 /nfs/dbraw/zinc/97/60/36/500976036.db2.gz WGIVJFRDOBCGAI-QMTHXVAHSA-N -1 3 373.808 3.461 20 0 FGADHM COc1cc(C)cc(-c2nc(-c3ccc(-c4nnco4)cc3)no2)c1[O-] ZINC000445401322 500980226 /nfs/dbraw/zinc/98/02/26/500980226.db2.gz HKZGEEJPDLNCHC-UHFFFAOYSA-N -1 3 350.334 3.476 20 0 FGADHM CCOc1cc(-c2noc(-c3cn(-c4cccc(C)c4)nn3)n2)ccc1[O-] ZINC000445427748 500983825 /nfs/dbraw/zinc/98/38/25/500983825.db2.gz QLWXRELEGWJTBI-UHFFFAOYSA-N -1 3 363.377 3.397 20 0 FGADHM CCOc1cc(-c2noc(-c3ccc(-n4cncn4)c(C)c3)n2)ccc1[O-] ZINC000445430472 500984556 /nfs/dbraw/zinc/98/45/56/500984556.db2.gz JPHLMXRTTXMOTP-UHFFFAOYSA-N -1 3 363.377 3.397 20 0 FGADHM Cc1ccc(F)c(S(=O)(=O)[N-][C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)c1 ZINC000435593002 500998049 /nfs/dbraw/zinc/99/80/49/500998049.db2.gz ODXGBMLTHMCRED-IINYFYTJSA-N -1 3 359.344 3.386 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]CCc2c[nH]c3ccccc23)c(F)cc1F ZINC000440394790 501003619 /nfs/dbraw/zinc/00/36/19/501003619.db2.gz AIOUQRIUIWPTFQ-UHFFFAOYSA-N -1 3 350.390 3.276 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]Cc2ccc(OC(F)F)cc2)c(F)cc1F ZINC000440401246 501005724 /nfs/dbraw/zinc/00/57/24/501005724.db2.gz OKOQECCXCIMLTG-UHFFFAOYSA-N -1 3 363.332 3.353 20 0 FGADHM CC(C)CCO[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cn(C(C)C)cn1 ZINC000435650618 501006684 /nfs/dbraw/zinc/00/66/84/501006684.db2.gz JRJXFGLCEACBSO-HZPDHXFCSA-N -1 3 357.520 3.116 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)c2cc(F)ccc2F)c1-c1ccc2c(c1)OCCO2 ZINC000435709692 501015096 /nfs/dbraw/zinc/01/50/96/501015096.db2.gz FZVCXSTVYPJTKN-UHFFFAOYSA-N -1 3 371.343 3.109 20 0 FGADHM COC(=O)c1cc(C)ccc1S(=O)(=O)[N-][C@@H](CC(F)(F)F)C(C)C ZINC000445726377 501024940 /nfs/dbraw/zinc/02/49/40/501024940.db2.gz RCTYDMBOYGJJOU-LBPRGKRZSA-N -1 3 367.389 3.037 20 0 FGADHM CCCCn1c(=O)[n-]nc1S[C@H](Cc1ccc(F)cc1F)C(C)=O ZINC000436123137 501074565 /nfs/dbraw/zinc/07/45/65/501074565.db2.gz CWEXLGMTXPSLPI-CQSZACIVSA-N -1 3 355.410 3.354 20 0 FGADHM CC(C)(C)OC(=O)C1CCC(NC(=O)Cc2ccc([O-])c(F)c2)CC1 ZINC000450365016 501100712 /nfs/dbraw/zinc/10/07/12/501100712.db2.gz OTEITVWXACBPEJ-UHFFFAOYSA-N -1 3 351.418 3.091 20 0 FGADHM CCOC(=O)c1ccc(NC(=O)[C@@H](C)OCCc2ccccc2)c([O-])c1 ZINC000449874622 501114443 /nfs/dbraw/zinc/11/44/43/501114443.db2.gz BSYHWLAZCQOWDF-CQSZACIVSA-N -1 3 357.406 3.155 20 0 FGADHM CCOCCN1CCN(C(=O)CCc2ccc3ccccc3c2[O-])C[C@H]1C ZINC000449880756 501116338 /nfs/dbraw/zinc/11/63/38/501116338.db2.gz ATXWHWJHTZVNNB-QGZVFWFLSA-N -1 3 370.493 3.047 20 0 FGADHM O=C(Cc1ccc([O-])c(F)c1)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000450464167 501127498 /nfs/dbraw/zinc/12/74/98/501127498.db2.gz WLZLUVHAUMZHDU-LBPRGKRZSA-N -1 3 366.795 3.261 20 0 FGADHM COC(=O)[C@H](CNC(=O)CCc1ccc2ccccc2c1[O-])CC(C)C ZINC000449940147 501131859 /nfs/dbraw/zinc/13/18/59/501131859.db2.gz LFXABHNRIDLOQI-KRWDZBQOSA-N -1 3 357.450 3.430 20 0 FGADHM CCOc1cc(CNC(=O)c2ccc(O)cc2[O-])ccc1OC(F)F ZINC000436496490 501139495 /nfs/dbraw/zinc/13/94/95/501139495.db2.gz ZVNQEKBSEVEOBL-UHFFFAOYSA-N -1 3 353.321 3.028 20 0 FGADHM COC(=O)c1ccc([O-])c(NC(=O)c2cccc(CN3CCCC3)c2)c1 ZINC000436502847 501141389 /nfs/dbraw/zinc/14/13/89/501141389.db2.gz IIEOEONUGVQVJX-UHFFFAOYSA-N -1 3 354.406 3.027 20 0 FGADHM CC(C)c1ccc(C(=O)N2CCO[C@H](COc3ccccc3)C2)c([O-])c1 ZINC000436523813 501147161 /nfs/dbraw/zinc/14/71/61/501147161.db2.gz WRSNTWAQMWKVNN-SFHVURJKSA-N -1 3 355.434 3.436 20 0 FGADHM CC(C)[C@H]1CCCC[C@@H]1NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436525019 501148296 /nfs/dbraw/zinc/14/82/96/501148296.db2.gz DBQQATVLKOAKCV-MOPGFXCFSA-N -1 3 373.497 3.074 20 0 FGADHM CC(C)[C@@H]1CCCC[C@H]1NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436525021 501148366 /nfs/dbraw/zinc/14/83/66/501148366.db2.gz DBQQATVLKOAKCV-RBUKOAKNSA-N -1 3 373.497 3.074 20 0 FGADHM CC1(CNC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CC1 ZINC000436528249 501148437 /nfs/dbraw/zinc/14/84/37/501148437.db2.gz NOFOIDBKKPWUHH-SFHVURJKSA-N -1 3 352.434 3.170 20 0 FGADHM COC(=O)c1ccccc1CC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436529631 501149182 /nfs/dbraw/zinc/14/91/82/501149182.db2.gz SHXKHLBBEUEIGD-UHFFFAOYSA-N -1 3 353.418 3.274 20 0 FGADHM CN(CC(=O)OC(C)(C)C)C(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436539585 501150770 /nfs/dbraw/zinc/15/07/70/501150770.db2.gz WPVYIMMWHOXGDH-UHFFFAOYSA-N -1 3 371.433 3.385 20 0 FGADHM CC(C)c1ccc(C(=O)NCCCN(C(=O)C2CCC2)C2CC2)c([O-])c1 ZINC000436552799 501155213 /nfs/dbraw/zinc/15/52/13/501155213.db2.gz AIULZPYSTWTIRX-UHFFFAOYSA-N -1 3 358.482 3.427 20 0 FGADHM Cc1ccc(C(=O)NCCCCN2CCN(c3ccccc3)CC2)c([O-])c1 ZINC000436563543 501157732 /nfs/dbraw/zinc/15/77/32/501157732.db2.gz HPPCFVRXKGVJTB-UHFFFAOYSA-N -1 3 367.493 3.033 20 0 FGADHM CCCCS(=O)(=O)Nc1ccc(NC(=O)c2cccc(C)c2[O-])cc1 ZINC000436563872 501157950 /nfs/dbraw/zinc/15/79/50/501157950.db2.gz NAGBTJTYVNSLHO-UHFFFAOYSA-N -1 3 362.451 3.495 20 0 FGADHM O=C(NC[C@@H]1CCC[C@@H](O)C1)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436564527 501158051 /nfs/dbraw/zinc/15/80/51/501158051.db2.gz PFIJHIPZTDLOEW-RTBURBONSA-N -1 3 353.462 3.458 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N2CC[C@@H]2c2ccc(Cl)cc2)c([O-])c1 ZINC000436562606 501158058 /nfs/dbraw/zinc/15/80/58/501158058.db2.gz BGTRLCCUQUIIAL-QGZVFWFLSA-N -1 3 372.852 3.448 20 0 FGADHM CCCc1cc(C(=O)[N-]c2nc(C(C)(C)C)c(C(=O)OC)s2)no1 ZINC000450027252 501158165 /nfs/dbraw/zinc/15/81/65/501158165.db2.gz KZBFJTUEXMPSIR-UHFFFAOYSA-N -1 3 351.428 3.420 20 0 FGADHM Cc1ccc([O-])c(C(=O)N2CSC[C@@H]2C(=O)N[C@H](C)CCC(C)C)c1 ZINC000436565197 501158220 /nfs/dbraw/zinc/15/82/20/501158220.db2.gz SQEKKMZGTSGRCQ-GDBMZVCRSA-N -1 3 364.511 3.157 20 0 FGADHM CC(=O)Nc1cccc(OCCNC(=O)c2ccc(C(C)C)cc2[O-])c1 ZINC000436565815 501158635 /nfs/dbraw/zinc/15/86/35/501158635.db2.gz JVYUVEABBSQLEJ-UHFFFAOYSA-N -1 3 356.422 3.283 20 0 FGADHM CC(C)c1ccc(C(=O)N[C@](C)(C(N)=O)c2cccc(Cl)c2)c([O-])c1 ZINC000436571118 501159603 /nfs/dbraw/zinc/15/96/03/501159603.db2.gz ABQQWHSLJANDOI-IBGZPJMESA-N -1 3 360.841 3.300 20 0 FGADHM COC(=O)c1sc(NC(=O)c2cc(OC)ccc2[O-])nc1C(C)(C)C ZINC000436575386 501160316 /nfs/dbraw/zinc/16/03/16/501160316.db2.gz ITTZULKLKWSYQF-UHFFFAOYSA-N -1 3 364.423 3.194 20 0 FGADHM CC[C@@H]1CN(C(C)=O)[C@@H](CC)CN1C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436585525 501162696 /nfs/dbraw/zinc/16/26/96/501162696.db2.gz JWJHKUOCBYYEJO-ZWKOTPCHSA-N -1 3 358.482 3.133 20 0 FGADHM COc1cc(OC)cc(OCCCN(C)C(=O)c2cccc(C)c2[O-])c1 ZINC000436584580 501162992 /nfs/dbraw/zinc/16/29/92/501162992.db2.gz HGUJYHJZJVSHHQ-UHFFFAOYSA-N -1 3 359.422 3.259 20 0 FGADHM CC[C@H]1Oc2cc([C@H](C)NC(=O)c3cc(C)ccc3[O-])ccc2NC1=O ZINC000436589023 501163715 /nfs/dbraw/zinc/16/37/15/501163715.db2.gz OFTXXTCUSURBNL-YVEFUNNKSA-N -1 3 354.406 3.301 20 0 FGADHM CC(C)OC(=O)[C@@H](C)N(C)C(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436587698 501164330 /nfs/dbraw/zinc/16/43/30/501164330.db2.gz QDMNAZGIXQTPHW-OAHLLOKOSA-N -1 3 371.433 3.383 20 0 FGADHM CC[C@@H]1Oc2cc([C@H](C)NC(=O)c3cc(OC)ccc3[O-])ccc2NC1=O ZINC000436591869 501164801 /nfs/dbraw/zinc/16/48/01/501164801.db2.gz YPAZGMQRAPZAPW-GTNSWQLSSA-N -1 3 370.405 3.001 20 0 FGADHM C[C@@H]1CCC[C@H](CNC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])[C@@H]1C ZINC000436600081 501166538 /nfs/dbraw/zinc/16/65/38/501166538.db2.gz ZSBJMQFIIUCMFA-YFHUEUNASA-N -1 3 358.482 3.185 20 0 FGADHM CCOC(=O)[C@@H]1CN(C(=O)c2ccc(C)c(C)c2[O-])Cc2ccccc21 ZINC000436598520 501166623 /nfs/dbraw/zinc/16/66/23/501166623.db2.gz ZUDGHUVTSFCRBN-GOSISDBHSA-N -1 3 353.418 3.312 20 0 FGADHM Cc1cc(NC(=O)c2cc(OCc3ccccc3)ccc2[O-])cn(C)c1=O ZINC000436601390 501167216 /nfs/dbraw/zinc/16/72/16/501167216.db2.gz HRKBWQOIXMSYEY-UHFFFAOYSA-N -1 3 364.401 3.231 20 0 FGADHM Cc1cccc(C(=O)N(CCO)Cc2ccc(Br)s2)c1[O-] ZINC000436605210 501168110 /nfs/dbraw/zinc/16/81/10/501168110.db2.gz KVXOAXBQVFNLDU-UHFFFAOYSA-N -1 3 370.268 3.159 20 0 FGADHM Cc1cccc(C(=O)NC[C@@H](CO)Cc2ccc(C(F)(F)F)cc2)c1[O-] ZINC000436607173 501168152 /nfs/dbraw/zinc/16/81/52/501168152.db2.gz SKHVDANKZYZNDE-AWEZNQCLSA-N -1 3 367.367 3.300 20 0 FGADHM Cc1nc(-c2ccc(NC(=O)N(C)CCOCC3CC3)cc2)cc(=O)[n-]1 ZINC000446829818 501170017 /nfs/dbraw/zinc/17/00/17/501170017.db2.gz LTGCAAXKLWLUDY-UHFFFAOYSA-N -1 3 356.426 3.048 20 0 FGADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCN(C2CC2)CC1 ZINC000436614447 501170270 /nfs/dbraw/zinc/17/02/70/501170270.db2.gz XPVJRTAPNNCMEI-UHFFFAOYSA-N -1 3 350.462 3.098 20 0 FGADHM NC(=O)COc1cccc(-c2nc(-c3ccc([O-])c4ccccc34)no2)c1 ZINC000436614566 501170303 /nfs/dbraw/zinc/17/03/03/501170303.db2.gz ZDPRUASLPLYFKF-UHFFFAOYSA-N -1 3 361.357 3.127 20 0 FGADHM CCc1ccc(C(=O)N[C@H]2C[C@H](C)S(=O)(=O)c3sccc32)c([O-])c1 ZINC000436620232 501171032 /nfs/dbraw/zinc/17/10/32/501171032.db2.gz RXXRRNIWYCLNIO-HZMBPMFUSA-N -1 3 365.476 3.053 20 0 FGADHM CC(=O)c1ccc(C(=O)NC[C@@H](c2ccc(C)o2)N2CCCC2)cc1[O-] ZINC000436623330 501172050 /nfs/dbraw/zinc/17/20/50/501172050.db2.gz DSIKEYFVSLBPCT-KRWDZBQOSA-N -1 3 356.422 3.063 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N2CCc3c2cccc3Cl)c([O-])c1 ZINC000436638712 501175808 /nfs/dbraw/zinc/17/58/08/501175808.db2.gz JYHJSAZGZSDRDB-UHFFFAOYSA-N -1 3 358.825 3.063 20 0 FGADHM CCS[C@@H]1CCCC[C@@H]1NC(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC000436640068 501176130 /nfs/dbraw/zinc/17/61/30/501176130.db2.gz SZTZNUGKCIGFLG-DOTOQJQBSA-N -1 3 364.511 3.001 20 0 FGADHM O=C(Nc1cccc(-c2ccc3c(c2)OCCO3)n1)c1c([O-])cccc1O ZINC000436645594 501177077 /nfs/dbraw/zinc/17/70/77/501177077.db2.gz BSBLQXJDYNVDDW-UHFFFAOYSA-N -1 3 364.357 3.183 20 0 FGADHM CC[C@H](NC(=O)c1cc(C)ccc1[O-])[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000436650920 501178959 /nfs/dbraw/zinc/17/89/59/501178959.db2.gz SOXCGPBHWOCIKU-AZUAARDMSA-N -1 3 364.449 3.399 20 0 FGADHM O=C(Nc1ccc(=O)n(Cc2ccccc2Cl)c1)c1c([O-])cccc1O ZINC000436649566 501179246 /nfs/dbraw/zinc/17/92/46/501179246.db2.gz VKEAVRDWPUISRW-UHFFFAOYSA-N -1 3 370.792 3.214 20 0 FGADHM O=C(c1c([O-])cccc1F)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000436654176 501180075 /nfs/dbraw/zinc/18/00/75/501180075.db2.gz COQXSJJYABVFNR-OAQYLSRUSA-N -1 3 354.425 3.270 20 0 FGADHM CC(=O)c1ccc(C(=O)N[C@@H]2CCN(C)[C@H]2c2ccc(F)c(F)c2)cc1[O-] ZINC000436667476 501183073 /nfs/dbraw/zinc/18/30/73/501183073.db2.gz YNAQEQNODFRYGD-MJGOQNOKSA-N -1 3 374.387 3.048 20 0 FGADHM CC1CCN(Cc2ccc(NC(=O)C(=O)c3ccc([O-])cc3)cc2)CC1 ZINC000436674341 501185182 /nfs/dbraw/zinc/18/51/82/501185182.db2.gz RLVITXQPZZQIKV-UHFFFAOYSA-N -1 3 352.434 3.446 20 0 FGADHM C[C@@H](COc1ccccc1C(F)(F)F)NC(=O)c1c([O-])cccc1O ZINC000436673160 501185250 /nfs/dbraw/zinc/18/52/50/501185250.db2.gz PPRHEXMBRDEZAQ-JTQLQIEISA-N -1 3 355.312 3.314 20 0 FGADHM COc1cccc(C(=O)Nc2ccc(-c3n[nH]c(C)n3)c(Cl)c2)c1[O-] ZINC000436678083 501186151 /nfs/dbraw/zinc/18/61/51/501186151.db2.gz AXCYXDBRMUVDDV-UHFFFAOYSA-N -1 3 358.785 3.400 20 0 FGADHM Cc1c2cccc(F)c2oc1C(=O)NCCCNC(=O)c1cccc([O-])c1 ZINC000588218913 506239326 /nfs/dbraw/zinc/23/93/26/506239326.db2.gz SCRLFPPYRIDIMH-UHFFFAOYSA-N -1 3 370.380 3.136 20 0 FGADHM COc1nc(C)cc(C)c1CNC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436681210 501186679 /nfs/dbraw/zinc/18/66/79/501186679.db2.gz MDMPPIPPLMGTDJ-UHFFFAOYSA-N -1 3 356.422 3.056 20 0 FGADHM NC(=O)C[C@H](NC(=O)c1cc(Cc2ccccc2)ccc1[O-])c1ccccc1 ZINC000436682378 501186917 /nfs/dbraw/zinc/18/69/17/501186917.db2.gz VCUKUAKDNBUCSA-FQEVSTJZSA-N -1 3 374.440 3.330 20 0 FGADHM CC(=O)c1ccc(C(=O)N[C@H](C)c2ccc(Br)cn2)cc1[O-] ZINC000436682161 501186941 /nfs/dbraw/zinc/18/69/41/501186941.db2.gz PKHLKFUQPXBHMD-SECBINFHSA-N -1 3 363.211 3.243 20 0 FGADHM COc1cc(-c2noc(CCNC(=O)c3ccc(C)cc3[O-])n2)ccc1C ZINC000436692257 501189936 /nfs/dbraw/zinc/18/99/36/501189936.db2.gz WIGCNEGSVPREMR-UHFFFAOYSA-N -1 3 367.405 3.040 20 0 FGADHM O=C(Nc1nncn1C1CC1)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436697750 501190714 /nfs/dbraw/zinc/19/07/14/501190714.db2.gz KXTXAZKANVVBKG-UHFFFAOYSA-N -1 3 350.378 3.150 20 0 FGADHM O=C(N[C@@H](CO)CC(F)(F)F)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436701448 501191603 /nfs/dbraw/zinc/19/16/03/501191603.db2.gz AMFQNTJNDVDCKF-CYBMUJFWSA-N -1 3 369.339 3.014 20 0 FGADHM CC(C)c1ccc(C(=O)N[C@H](CO)Cc2c[nH]c3ccccc23)c([O-])c1 ZINC000436704887 501192594 /nfs/dbraw/zinc/19/25/94/501192594.db2.gz QLLBHGLPBYRFKX-INIZCTEOSA-N -1 3 352.434 3.330 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)NCC2(c3ccccc3)CCC2)c([O-])c1 ZINC000436709893 501193947 /nfs/dbraw/zinc/19/39/47/501193947.db2.gz XHFNTFKJJGHVEK-UHFFFAOYSA-N -1 3 366.461 3.059 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)Nc2ccc(OC(C)C)cc2)c([O-])c1 ZINC000436709094 501194077 /nfs/dbraw/zinc/19/40/77/501194077.db2.gz UUSKKRXSVRONPI-UHFFFAOYSA-N -1 3 356.422 3.246 20 0 FGADHM COc1cc(N2CCN(C(=O)c3ccc(C)c(C)c3[O-])CC2)ccc1F ZINC000436714921 501194596 /nfs/dbraw/zinc/19/45/96/501194596.db2.gz NNVLSOCWIJGSMF-UHFFFAOYSA-N -1 3 358.413 3.119 20 0 FGADHM COc1cccc(CN(C[C@H]2CCCO2)C(=O)c2cccc(OC)c2[O-])c1 ZINC000436714471 501194817 /nfs/dbraw/zinc/19/48/17/501194817.db2.gz UJEIZZSRYAVMPO-QGZVFWFLSA-N -1 3 371.433 3.231 20 0 FGADHM CCNC(=O)C1(CNC(=O)c2cc(Oc3ccccc3)ccc2[O-])CCC1 ZINC000436728196 501198559 /nfs/dbraw/zinc/19/85/59/501198559.db2.gz ITLDLYWAGBOCJU-UHFFFAOYSA-N -1 3 368.433 3.221 20 0 FGADHM CC(C)[C@@H]1CN(C(=O)c2cc(OCc3ccccc3)ccc2[O-])CCN1C ZINC000436730192 501199101 /nfs/dbraw/zinc/19/91/01/501199101.db2.gz VRQQSQMDZJPKFB-FQEVSTJZSA-N -1 3 368.477 3.383 20 0 FGADHM CC[C@H](CNC(=O)c1cc(NC(C)=O)ccc1[O-])Oc1ccccc1C ZINC000436729796 501199124 /nfs/dbraw/zinc/19/91/24/501199124.db2.gz HXDIGAIBGOXSAB-MRXNPFEDSA-N -1 3 356.422 3.246 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N2C[C@H](c3ccccc3)C[C@@H]2C)c([O-])c1 ZINC000436737320 501200499 /nfs/dbraw/zinc/20/04/99/501200499.db2.gz IOJPJQHVCOSKJP-FUHWJXTLSA-N -1 3 366.461 3.225 20 0 FGADHM COc1cccc(C(=O)Nc2cccc(C(=O)Nc3ccccn3)c2)c1[O-] ZINC000436742310 501202326 /nfs/dbraw/zinc/20/23/26/501202326.db2.gz XFRFABCCSSAGNM-UHFFFAOYSA-N -1 3 363.373 3.300 20 0 FGADHM CC[C@@H](C)c1nnc([C@H](C)NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)[nH]1 ZINC000436742538 501202546 /nfs/dbraw/zinc/20/25/46/501202546.db2.gz XRKRTJWDYALXFZ-MNOVXSKESA-N -1 3 358.442 3.228 20 0 FGADHM NC(=O)[C@H](NC(=O)c1cc(Oc2ccccc2)ccc1[O-])c1ccccc1 ZINC000436758252 501206026 /nfs/dbraw/zinc/20/60/26/501206026.db2.gz YFMZBKKOGWSZNH-LJQANCHMSA-N -1 3 362.385 3.141 20 0 FGADHM NC(=O)c1ccc(CNC(=O)c2cc(Oc3ccccc3)ccc2[O-])cc1 ZINC000436756692 501206196 /nfs/dbraw/zinc/20/61/96/501206196.db2.gz SPUKAGKXRKSJFD-UHFFFAOYSA-N -1 3 362.385 3.213 20 0 FGADHM CC(C)Cn1nc(-c2nc(-c3ccc([O-])cc3)no2)c2ccccc2c1=O ZINC000436771106 501208860 /nfs/dbraw/zinc/20/88/60/501208860.db2.gz XNERBWMURHOPHH-UHFFFAOYSA-N -1 3 362.389 3.475 20 0 FGADHM C[C@@H](CNC(=O)c1cc(Br)cc(Cl)c1[O-])N(C)C1CC1 ZINC000436768427 501208910 /nfs/dbraw/zinc/20/89/10/501208910.db2.gz IPCFTRJCKGUSLO-QMMMGPOBSA-N -1 3 361.667 3.021 20 0 FGADHM CC(C)n1ncc2cc(C=Cc3nc(-c4ccc([O-])cc4)no3)c(=O)[nH]c21 ZINC000436770107 501208927 /nfs/dbraw/zinc/20/89/27/501208927.db2.gz QCLZIMNIFUFIMD-VMPITWQZSA-N -1 3 363.377 3.232 20 0 FGADHM C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1cc(Cl)cc(Br)c1[O-] ZINC000436776088 501209330 /nfs/dbraw/zinc/20/93/30/501209330.db2.gz ZFTVFIYZNZLQGG-AMIZOPFISA-N -1 3 373.678 3.021 20 0 FGADHM O=C(c1ccc([O-])cc1)N1CCN(C(=O)c2cccc3ccsc32)CC1 ZINC000436773535 501209718 /nfs/dbraw/zinc/20/97/18/501209718.db2.gz PRSINZYVGXLJOH-UHFFFAOYSA-N -1 3 366.442 3.205 20 0 FGADHM CC1(C)Cc2ccc(C(=O)N3CCN(c4ccccc4F)CC3)c([O-])c2O1 ZINC000436779272 501210137 /nfs/dbraw/zinc/21/01/37/501210137.db2.gz UWLLHPFNSFFNIG-UHFFFAOYSA-N -1 3 370.424 3.207 20 0 FGADHM CN(C)[C@@H](CNC(=O)c1ccc2c(c1[O-])OC(C)(C)C2)c1cccs1 ZINC000436779165 501210239 /nfs/dbraw/zinc/21/02/39/501210239.db2.gz UJMMCTFXJGNPLE-AWEZNQCLSA-N -1 3 360.479 3.200 20 0 FGADHM COc1cc(-c2noc(-c3nc(SC)n4ccccc34)n2)ccc1[O-] ZINC000436783934 501210555 /nfs/dbraw/zinc/21/05/55/501210555.db2.gz JDXORTRXYRXVRK-UHFFFAOYSA-N -1 3 354.391 3.487 20 0 FGADHM COc1cc(-c2noc(C[C@@H]3Sc4ccccc4NC3=O)n2)ccc1[O-] ZINC000436787867 501211308 /nfs/dbraw/zinc/21/13/08/501211308.db2.gz ZIZIFCKEWMVZTB-HNNXBMFYSA-N -1 3 369.402 3.106 20 0 FGADHM O=C(NCc1ccc(OCc2ccccn2)cc1)c1ccc(O)cc1[O-] ZINC000436787016 501211710 /nfs/dbraw/zinc/21/17/10/501211710.db2.gz UOUNQZILKXEXRD-UHFFFAOYSA-N -1 3 350.374 3.002 20 0 FGADHM O=C(NCCc1ccc(I)s1)c1ccccc1[O-] ZINC000436796673 501212526 /nfs/dbraw/zinc/21/25/26/501212526.db2.gz XAOMUVZDQSDHJU-UHFFFAOYSA-N -1 3 373.215 3.031 20 0 FGADHM COCCCOCCN(C)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436815059 501215931 /nfs/dbraw/zinc/21/59/31/501215931.db2.gz UHLJEVNHXFYVBV-UHFFFAOYSA-N -1 3 359.422 3.310 20 0 FGADHM COC(=O)[C@@H]1CN(C(=O)c2ccc([O-])c(C)c2)C[C@H]1c1ccc(Cl)cc1 ZINC000436815798 501216049 /nfs/dbraw/zinc/21/60/49/501216049.db2.gz YFWKJAVIGUCNBE-DLBZAZTESA-N -1 3 373.836 3.383 20 0 FGADHM CCOC(=O)[C@H](CCOC(C)(C)C)NC(=O)c1ccc(C(C)C)cc1[O-] ZINC000436818864 501216275 /nfs/dbraw/zinc/21/62/75/501216275.db2.gz GHEQHYOZOXKSSF-INIZCTEOSA-N -1 3 365.470 3.382 20 0 FGADHM CCc1ccc(C(=O)N[C@@H](C)c2cc(OC)c(OC)c(OC)c2)c([O-])c1 ZINC000436818612 501216495 /nfs/dbraw/zinc/21/64/95/501216495.db2.gz KSFDQXQQRZOMOK-LBPRGKRZSA-N -1 3 359.422 3.471 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)NCC(C)(C)c2cccc(F)c2)c([O-])c1 ZINC000436825179 501217580 /nfs/dbraw/zinc/21/75/80/501217580.db2.gz JUVRCZFYWHFKTA-UHFFFAOYSA-N -1 3 372.440 3.054 20 0 FGADHM O=C(N[C@H]1CSc2ccc(Br)cc21)c1c([O-])cccc1O ZINC000436852755 501221166 /nfs/dbraw/zinc/22/11/66/501221166.db2.gz AWSQGTMQQVQZOY-JTQLQIEISA-N -1 3 366.236 3.437 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N2CCC[C@H](c3ccccc3)C2)c([O-])c1 ZINC000436852107 501221266 /nfs/dbraw/zinc/22/12/66/501221266.db2.gz NNIORJDHXBUKIG-SFHVURJKSA-N -1 3 366.461 3.227 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N[C@H]2CCC[C@H]2c2ccccc2)c([O-])c1 ZINC000436861412 501222940 /nfs/dbraw/zinc/22/29/40/501222940.db2.gz DSEXORCRPYZTPH-HKUYNNGSSA-N -1 3 366.461 3.273 20 0 FGADHM CN(C)CCOCCNC(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000436863137 501223696 /nfs/dbraw/zinc/22/36/96/501223696.db2.gz SHCMEWPIGYFDTE-UHFFFAOYSA-N -1 3 362.857 3.021 20 0 FGADHM CC(=O)c1ccc(C(=O)Nc2nc3cc4c(cc3s2)OCCO4)cc1[O-] ZINC000436868223 501224365 /nfs/dbraw/zinc/22/43/65/501224365.db2.gz HNAPQASPLSJZRM-UHFFFAOYSA-N -1 3 370.386 3.228 20 0 FGADHM O=c1[n-]nc([C@@H]2CCCN(CCc3cccc(OC(F)(F)F)c3)C2)o1 ZINC000450897007 501225660 /nfs/dbraw/zinc/22/56/60/501225660.db2.gz PMDILDISNBHAKN-GFCCVEGCSA-N -1 3 357.332 3.096 20 0 FGADHM COc1cc(-c2noc(-c3cc(C)nc(C(F)(F)F)n3)n2)ccc1[O-] ZINC000436876857 501225996 /nfs/dbraw/zinc/22/59/96/501225996.db2.gz LCDFPHCKLDXFJU-UHFFFAOYSA-N -1 3 352.272 3.235 20 0 FGADHM COc1cccc(C(=O)N[C@@H](C)c2nc(-c3ccncc3)cs2)c1[O-] ZINC000436880215 501226552 /nfs/dbraw/zinc/22/65/52/501226552.db2.gz QDAGGVZHFQLDQH-NSHDSACASA-N -1 3 355.419 3.410 20 0 FGADHM CCc1ccc(-c2nc(-c3cnc(OCC(F)(F)F)cn3)no2)c([O-])c1 ZINC000436882209 501226757 /nfs/dbraw/zinc/22/67/57/501226757.db2.gz YBVHYZGNORRBPT-UHFFFAOYSA-N -1 3 366.299 3.403 20 0 FGADHM CC(C)(C)OC(=O)c1cccc(CN2CCC[C@@H](c3n[n-]c(=O)o3)C2)c1 ZINC000450902766 501227069 /nfs/dbraw/zinc/22/70/69/501227069.db2.gz KKVJYYBDQWQQJU-OAHLLOKOSA-N -1 3 359.426 3.110 20 0 FGADHM O=C(NCc1nc(-c2ccc([O-])cc2)no1)c1ccc(C(F)(F)F)cc1 ZINC000436892093 501228503 /nfs/dbraw/zinc/22/85/03/501228503.db2.gz ZIQBONACEQFSGD-UHFFFAOYSA-N -1 3 363.295 3.391 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N(C)Cc2cc(C)cc(C)c2)c([O-])c1 ZINC000436899346 501229665 /nfs/dbraw/zinc/22/96/65/501229665.db2.gz CPBQHNPQIBXCPI-UHFFFAOYSA-N -1 3 354.450 3.096 20 0 FGADHM CCc1nc(-c2ccc(-c3nc(-c4ccc([O-])c(OC)c4)no3)cc2)n[nH]1 ZINC000436901920 501230349 /nfs/dbraw/zinc/23/03/49/501230349.db2.gz DIRHMFOBOOIIKN-UHFFFAOYSA-N -1 3 363.377 3.465 20 0 FGADHM Cc1cccc(C)c1NC(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436916664 501232296 /nfs/dbraw/zinc/23/22/96/501232296.db2.gz AQNIEVLTHLDODL-UHFFFAOYSA-N -1 3 367.449 3.435 20 0 FGADHM CC(C)(CF)NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436919907 501232507 /nfs/dbraw/zinc/23/25/07/501232507.db2.gz NDZOFVHYFZYKON-QGZVFWFLSA-N -1 3 358.413 3.118 20 0 FGADHM Cc1ccc(C)c(NC(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)c1 ZINC000436922232 501233382 /nfs/dbraw/zinc/23/33/82/501233382.db2.gz XEJZDGBNVYYLST-UHFFFAOYSA-N -1 3 367.449 3.435 20 0 FGADHM COC(=O)CCSc1ncccc1[N-]S(=O)(=O)CCC1CCCC1 ZINC000450996986 501237798 /nfs/dbraw/zinc/23/77/98/501237798.db2.gz FJWJDFLGBNYVHS-UHFFFAOYSA-N -1 3 372.512 3.059 20 0 FGADHM CCC(C)(C)OCc1ccccc1[N-]S(=O)(=O)c1c[nH]c(=O)s1 ZINC000451042189 501241446 /nfs/dbraw/zinc/24/14/46/501241446.db2.gz VKFOSYDOJZAYNL-UHFFFAOYSA-N -1 3 356.469 3.355 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)c1cc(Br)c(C)cc1OC)C(F)F ZINC000451084322 501244388 /nfs/dbraw/zinc/24/43/88/501244388.db2.gz QSKNTNKLFUZRAZ-VIFPVBQESA-N -1 3 372.231 3.088 20 0 FGADHM Cc1csc(S(=O)(=O)[N-][C@@H](c2ccc(F)cc2)[C@H]2CCCO2)c1 ZINC000451095170 501245151 /nfs/dbraw/zinc/24/51/51/501245151.db2.gz HZYJQYRGXNBTNP-ZBFHGGJFSA-N -1 3 355.456 3.394 20 0 FGADHM C[C@H](C[N-]S(=O)(=O)c1sccc1Cl)N(C)Cc1ccccc1 ZINC000451192508 501251028 /nfs/dbraw/zinc/25/10/28/501251028.db2.gz KNCFVFABCRMHEH-GFCCVEGCSA-N -1 3 358.916 3.200 20 0 FGADHM COc1cccc(N2CCC[C@@H]([N-]S(=O)(=O)c3cc(C)cs3)C2)c1 ZINC000451206396 501252072 /nfs/dbraw/zinc/25/20/72/501252072.db2.gz FAPRGVPAPJHXSK-CQSZACIVSA-N -1 3 366.508 3.012 20 0 FGADHM O=S(=O)([N-]C1CCN(C2CCCCC2)CC1)c1sccc1Cl ZINC000451265066 501256338 /nfs/dbraw/zinc/25/63/38/501256338.db2.gz AIZDAUJFZUFGLA-UHFFFAOYSA-N -1 3 362.948 3.477 20 0 FGADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)CCCC(C)C)c2)[n-]1 ZINC000451290794 501257948 /nfs/dbraw/zinc/25/79/48/501257948.db2.gz XYAOSEXWEDKLDL-UHFFFAOYSA-N -1 3 358.442 3.091 20 0 FGADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)CCCC(C)C)c2)n[n-]1 ZINC000451290794 501257950 /nfs/dbraw/zinc/25/79/50/501257950.db2.gz XYAOSEXWEDKLDL-UHFFFAOYSA-N -1 3 358.442 3.091 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)C[C@@H]1CCCCC1(F)F)c1c(C)noc1C ZINC000451349455 501272473 /nfs/dbraw/zinc/27/24/73/501272473.db2.gz XMCKIXRNDVOEAP-STQMWFEESA-N -1 3 350.431 3.487 20 0 FGADHM COCC[C@@H]([N-]S(=O)(=O)c1cc2cc(F)ccc2o1)c1ccco1 ZINC000451382955 501280336 /nfs/dbraw/zinc/28/03/36/501280336.db2.gz JJZGBFQZAOGGHD-CYBMUJFWSA-N -1 3 353.371 3.221 20 0 FGADHM COC(=O)c1ncccc1S(=O)(=O)[N-]C(C)(C)CC1CCCCCC1 ZINC000451433291 501292533 /nfs/dbraw/zinc/29/25/33/501292533.db2.gz DUGSFCUPBAPVKZ-UHFFFAOYSA-N -1 3 368.499 3.286 20 0 FGADHM COC[C@@H]([N-]S(=O)(=O)C[C@@H]1CCCC1(F)F)c1cccc(Cl)c1 ZINC000451567520 501326578 /nfs/dbraw/zinc/32/65/78/501326578.db2.gz PGAFLEJDLCBXQT-GXTWGEPZSA-N -1 3 367.845 3.382 20 0 FGADHM O=S(=O)([N-]CCCC1CCOCC1)c1ccc(C(F)(F)F)cc1F ZINC000451606017 501335120 /nfs/dbraw/zinc/33/51/20/501335120.db2.gz GCRIJVFOJMTOHL-UHFFFAOYSA-N -1 3 369.380 3.330 20 0 FGADHM O=S(=O)([N-]CCCC1CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000451606284 501335441 /nfs/dbraw/zinc/33/54/41/501335441.db2.gz HLMCJLJSVRTNLE-UHFFFAOYSA-N -1 3 352.283 3.479 20 0 FGADHM O=C(CCc1ccc2ccccc2c1[O-])N1CCN[C@@H](c2ccncc2)C1 ZINC000451672129 501347856 /nfs/dbraw/zinc/34/78/56/501347856.db2.gz RJVIEMIIDMLIMR-HXUWFJFHSA-N -1 3 361.445 3.046 20 0 FGADHM COCCN(Cc1c(C)nn(C)c1C)Cc1cc([O-])cc(C(F)(F)F)c1 ZINC000453604036 501359478 /nfs/dbraw/zinc/35/94/78/501359478.db2.gz AYIFSKCXPWIILR-UHFFFAOYSA-N -1 3 371.403 3.410 20 0 FGADHM CC(C)n1cc(S(=O)(=O)[N-][C@H]2CCCC[C@H]2CC(F)(F)F)cn1 ZINC000451752345 501365997 /nfs/dbraw/zinc/36/59/97/501365997.db2.gz YUBGICPJSUDSCZ-AAEUAGOBSA-N -1 3 353.410 3.254 20 0 FGADHM CC[C@](C)(C[N-]S(=O)(=O)c1cccc(Br)c1Cl)OC ZINC000451796313 501373857 /nfs/dbraw/zinc/37/38/57/501373857.db2.gz LGICSDZJWSXMQK-GFCCVEGCSA-N -1 3 370.696 3.196 20 0 FGADHM CC[C@@H]1C[C@H]1C[N-]S(=O)(=O)c1cc(Cl)ccc1O[C@H](C)COC ZINC000451820302 501379555 /nfs/dbraw/zinc/37/95/55/501379555.db2.gz ABAAJKDWRBDJGR-UPJWGTAASA-N -1 3 361.891 3.078 20 0 FGADHM CCCc1ncc(C[N-]S(=O)(=O)Cc2ccccc2C(F)(F)F)o1 ZINC000451958285 501408216 /nfs/dbraw/zinc/40/82/16/501408216.db2.gz LEAAZKFYZGFOJB-UHFFFAOYSA-N -1 3 362.373 3.266 20 0 FGADHM CC[C@@H](O)[C@@H](CC)[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000451979339 501411917 /nfs/dbraw/zinc/41/19/17/501411917.db2.gz GOKRMXOOFHQKKX-GHMZBOCLSA-N -1 3 359.797 3.187 20 0 FGADHM CC1(C)COC[C@H]1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000451985953 501413583 /nfs/dbraw/zinc/41/35/83/501413583.db2.gz XBKZMTALHKLPMI-LLVKDONJSA-N -1 3 357.781 3.062 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-][C@@](C)(Cc1ccccc1)C1CC1 ZINC000452076443 501430444 /nfs/dbraw/zinc/43/04/44/501430444.db2.gz BUHUJVQOKDCHND-KRWDZBQOSA-N -1 3 351.493 3.446 20 0 FGADHM O=S(=O)([N-][C@H](c1cccs1)C1(CO)CCC1)c1cc(F)cc(F)c1 ZINC000452097517 501434464 /nfs/dbraw/zinc/43/44/64/501434464.db2.gz YGQQNUQBLCMZNY-OAHLLOKOSA-N -1 3 373.446 3.209 20 0 FGADHM CCOC(=O)c1cc(COC)cc(NC(=O)Cc2ccc([O-])c(F)c2)c1 ZINC000452315526 501476618 /nfs/dbraw/zinc/47/66/18/501476618.db2.gz WMSFCJFSYYGJMQ-UHFFFAOYSA-N -1 3 361.369 3.036 20 0 FGADHM COc1cccc([C@H]2C[C@H](NC(=O)c3cc(NC(C)=O)ccc3[O-])C2)c1 ZINC000456516232 501540172 /nfs/dbraw/zinc/54/01/72/501540172.db2.gz TUYGIGFWHGNEFO-KOMQPUFPSA-N -1 3 354.406 3.035 20 0 FGADHM O=C(Cc1ccc(Br)cc1[O-])N1CCOCC12CCCCC2 ZINC000456522257 501541483 /nfs/dbraw/zinc/54/14/83/501541483.db2.gz MEJSRASEVJMVEV-UHFFFAOYSA-N -1 3 368.271 3.259 20 0 FGADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@H]1CCCc2nccn21 ZINC000452749397 501555977 /nfs/dbraw/zinc/55/59/77/501555977.db2.gz LZLWHZFWXNZIRF-LLVKDONJSA-N -1 3 350.216 3.176 20 0 FGADHM CCOc1cc(CN(C)CC(=O)OC(C)(C)C)cc(Br)c1[O-] ZINC000459319156 501630046 /nfs/dbraw/zinc/63/00/46/501630046.db2.gz CNGKTXMWURGWGG-UHFFFAOYSA-N -1 3 374.275 3.327 20 0 FGADHM CCOc1cc(CN2CCC(O[C@@H]3CCOC3)CC2)cc(Cl)c1[O-] ZINC000459337322 501633921 /nfs/dbraw/zinc/63/39/21/501633921.db2.gz JIZRRWZKOIHTLA-OAHLLOKOSA-N -1 3 355.862 3.214 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@](C)(Cc2ccccc2)C2CC2)c1 ZINC000457009024 501634684 /nfs/dbraw/zinc/63/46/84/501634684.db2.gz FHQZTDXIPQORKW-OAQYLSRUSA-N -1 3 352.434 3.492 20 0 FGADHM O=C1CCCCCN1CCCNCc1cccc([O-])c1Br ZINC000459358360 501638630 /nfs/dbraw/zinc/63/86/30/501638630.db2.gz CSNDYHWLWRPZAC-UHFFFAOYSA-N -1 3 355.276 3.037 20 0 FGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@H]2C[C@@]2(C)C(C)C)cc1OC ZINC000459363652 501639596 /nfs/dbraw/zinc/63/95/96/501639596.db2.gz ZIPFIRAZSJXGMS-RDJZCZTQSA-N -1 3 369.487 3.013 20 0 FGADHM O=C(CCNCc1cccc([O-])c1Br)NC1CCCCC1 ZINC000459369697 501640702 /nfs/dbraw/zinc/64/07/02/501640702.db2.gz HKYYIUJDYDQCJQ-UHFFFAOYSA-N -1 3 355.276 3.083 20 0 FGADHM Cc1cn2c(n1)[C@H](CNCc1cccc([O-])c1Br)CCC2 ZINC000459424439 501651529 /nfs/dbraw/zinc/65/15/29/501651529.db2.gz QWOWXCKCCUZBKN-ZDUSSCGKSA-N -1 3 350.260 3.327 20 0 FGADHM CCOC(=O)c1csc([C@@H]2CCCN2Cc2cc(=O)[n-]c(C3CC3)n2)n1 ZINC000459426980 501651773 /nfs/dbraw/zinc/65/17/73/501651773.db2.gz UNFSUKLZISPARV-AWEZNQCLSA-N -1 3 374.466 3.030 20 0 FGADHM CCO[C@H]1C[C@H](NCc2cccc([O-])c2Br)C12CCOCC2 ZINC000459521118 501668599 /nfs/dbraw/zinc/66/85/99/501668599.db2.gz HFSNNUROLSZENS-GJZGRUSLSA-N -1 3 370.287 3.219 20 0 FGADHM COC(=O)[C@@H]1CCCCC[C@@H]1NCc1cccc([O-])c1Br ZINC000459569932 501678599 /nfs/dbraw/zinc/67/85/99/501678599.db2.gz MOFHTRMDQWHZRY-OLZOCXBDSA-N -1 3 356.260 3.366 20 0 FGADHM CCOc1cc(CN2CC[C@@H](CO)[C@H]2CC)cc(Br)c1[O-] ZINC000459573924 501679796 /nfs/dbraw/zinc/67/97/96/501679796.db2.gz SHLCTUZKFUKTQM-GXTWGEPZSA-N -1 3 358.276 3.146 20 0 FGADHM CCc1cccc(N(C)C(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])c1 ZINC000457325763 501682267 /nfs/dbraw/zinc/68/22/67/501682267.db2.gz KWTGZILIASNQBK-GOSISDBHSA-N -1 3 352.434 3.222 20 0 FGADHM Cc1ccc(C[C@H](CO)NCc2cccc([O-])c2Br)cc1C ZINC000459599646 501684431 /nfs/dbraw/zinc/68/44/31/501684431.db2.gz RUBLUBXJGTXQPW-MRXNPFEDSA-N -1 3 364.283 3.465 20 0 FGADHM C[C@H](C(=O)Nc1cccc([C@]2(C)NC(=O)[N-]C2=O)c1)c1cccc(Cl)c1 ZINC000607800211 506268614 /nfs/dbraw/zinc/26/86/14/506268614.db2.gz PMPCVRTWVMMXQX-WLRWDXFRSA-N -1 3 371.824 3.137 20 0 FGADHM COc1ccc(CN[C@H]2C[C@H](OC)C23CCC3)c(Br)c1[O-] ZINC000459795440 501715130 /nfs/dbraw/zinc/71/51/30/501715130.db2.gz VGLVCSCMAMESSZ-STQMWFEESA-N -1 3 356.260 3.211 20 0 FGADHM COC(=O)c1csc(S(=O)(=O)[N-][C@H](C)[C@H](C)c2ccccc2)c1 ZINC000474216964 501748193 /nfs/dbraw/zinc/74/81/93/501748193.db2.gz XICHIFZJYIBPRN-NWDGAFQWSA-N -1 3 353.465 3.005 20 0 FGADHM COC(=O)c1c(F)ccc([N-]C(=O)c2oc(CC(C)C)nc2C)c1F ZINC000485190364 501751256 /nfs/dbraw/zinc/75/12/56/501751256.db2.gz LZXVBLDAEIKUQG-UHFFFAOYSA-N -1 3 352.337 3.499 20 0 FGADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]C2C(C)(C)C2(C)C)cc1Cl ZINC000481352703 501752368 /nfs/dbraw/zinc/75/23/68/501752368.db2.gz VQKXCPUKNRJUMT-UHFFFAOYSA-N -1 3 362.854 3.150 20 0 FGADHM COC(=O)c1ccc(C(=O)Nc2cc(Br)ccc2[O-])c(F)c1 ZINC000477687815 501758539 /nfs/dbraw/zinc/75/85/39/501758539.db2.gz BUTOJVUWXWPLAF-UHFFFAOYSA-N -1 3 368.158 3.333 20 0 FGADHM CSc1ccc(S(=O)(=O)[N-]c2ccc(OCC(C)(C)O)cc2)cc1 ZINC000485265114 501774082 /nfs/dbraw/zinc/77/40/82/501774082.db2.gz ALQFYHMBPOBNDS-UHFFFAOYSA-N -1 3 367.492 3.359 20 0 FGADHM CC(C)Cn1cnc(S(=O)(=O)[N-]Cc2cccc(C(F)(F)F)c2)c1 ZINC000470768749 501796261 /nfs/dbraw/zinc/79/62/61/501796261.db2.gz DMKQYEDRWQGNJI-UHFFFAOYSA-N -1 3 361.389 3.036 20 0 FGADHM CC1(C)CN(C(=O)NCc2ccc([O-])c(Br)c2)[C@H]1C1CC1 ZINC000460357986 501802494 /nfs/dbraw/zinc/80/24/94/501802494.db2.gz JNMXIXKUZMMCFN-AWEZNQCLSA-N -1 3 353.260 3.485 20 0 FGADHM CC(C)Cn1cnc(S(=O)(=O)[N-][C@@H]2CC[C@@H](c3ccccc3F)C2)c1 ZINC000481587769 501823625 /nfs/dbraw/zinc/82/36/25/501823625.db2.gz QRBVPGXWESKNLD-HUUCEWRRSA-N -1 3 365.474 3.293 20 0 FGADHM CCc1sc(-c2nnc(CSc3n[n-]c(COC)n3)o2)cc1C ZINC000474403823 501824554 /nfs/dbraw/zinc/82/45/54/501824554.db2.gz RRDGXDUMNISYMR-UHFFFAOYSA-N -1 3 351.457 3.226 20 0 FGADHM CCOC(=O)CN(C(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1)C(C)C ZINC000470846499 501826734 /nfs/dbraw/zinc/82/67/34/501826734.db2.gz 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Cc1nc2c(cccc2C(=O)N=c2cc(-c3cc(F)cc(F)c3)[n-][nH]2)o1 ZINC000472319078 502312811 /nfs/dbraw/zinc/31/28/11/502312811.db2.gz LTTBQIMEUWGZOF-UHFFFAOYSA-N -1 3 354.316 3.479 20 0 FGADHM COCCOc1ccc(F)cc1S(=O)(=O)[N-]C1(C)CCC(C)CC1 ZINC000469163010 502321078 /nfs/dbraw/zinc/32/10/78/502321078.db2.gz XGPKPFFFOCEMNT-UHFFFAOYSA-N -1 3 359.463 3.098 20 0 FGADHM Cc1cccc2c1[n-]cc(C(=O)N[C@@H](C)c1ccc([S@](C)=O)cc1)c2=O ZINC000483257335 502330353 /nfs/dbraw/zinc/33/03/53/502330353.db2.gz HEBLDVFDFDEXFT-NRRJATNASA-N -1 3 368.458 3.065 20 0 FGADHM COCCOc1ccc(F)cc1S(=O)(=O)[N-]C(C)(C)c1ccccc1 ZINC000469217843 502339790 /nfs/dbraw/zinc/33/97/90/502339790.db2.gz XVJLNCXNHSTNST-UHFFFAOYSA-N -1 3 367.442 3.065 20 0 FGADHM CCc1cc(C(=O)N2CCc3c(ncn3-c3ccc(F)cc3)C2)ccc1[O-] ZINC000487053918 502342764 /nfs/dbraw/zinc/34/27/64/502342764.db2.gz LOKWBDNLQUJFGP-UHFFFAOYSA-N -1 3 365.408 3.478 20 0 FGADHM Cc1cc(C)c2[n-]cc(C(=O)N(C)[C@H](CCO)c3ccccc3)c(=O)c2c1 ZINC000483303662 502344726 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CCC(CC)(CC(=O)OC)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000487114937 502363629 /nfs/dbraw/zinc/36/36/29/502363629.db2.gz OHMRJLVOVRHXLI-UHFFFAOYSA-N -1 3 368.282 3.394 20 0 FGADHM C[C@@H](Cc1ccncc1)[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000487139324 502369779 /nfs/dbraw/zinc/36/97/79/502369779.db2.gz VOERCBQGRWTIPZ-ZDUSSCGKSA-N -1 3 359.476 3.115 20 0 FGADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)Nc1cccc(C(F)(F)F)c1 ZINC000479762889 502369743 /nfs/dbraw/zinc/36/97/43/502369743.db2.gz MDCDKTGMTUGEHO-UHFFFAOYSA-N -1 3 353.226 3.164 20 0 FGADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)Nc1cccc(C(F)(F)F)c1 ZINC000479762889 502369747 /nfs/dbraw/zinc/36/97/47/502369747.db2.gz MDCDKTGMTUGEHO-UHFFFAOYSA-N -1 3 353.226 3.164 20 0 FGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)Nc1cccc(C(F)(F)F)c1 ZINC000479762889 502369750 /nfs/dbraw/zinc/36/97/50/502369750.db2.gz MDCDKTGMTUGEHO-UHFFFAOYSA-N -1 3 353.226 3.164 20 0 FGADHM Cc1ccc(-c2nnc(NC(=O)c3ccnc(N4CCC[C@@H](C)C4)c3)[n-]2)o1 ZINC000462263056 502372133 /nfs/dbraw/zinc/37/21/33/502372133.db2.gz 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O=S(=O)([N-]Cc1coc(-c2ccccc2)n1)c1cc(F)c(F)c(F)c1 ZINC000462304373 502385729 /nfs/dbraw/zinc/38/57/29/502385729.db2.gz DJWYGRSHBJRERE-UHFFFAOYSA-N -1 3 368.336 3.237 20 0 FGADHM COc1ccccc1[C@]1(C)C[C@H]1[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000462304744 502386170 /nfs/dbraw/zinc/38/61/70/502386170.db2.gz FMFIMGICLLNQRC-WBVHZDCISA-N -1 3 369.845 3.496 20 0 FGADHM COc1ccc([C@@H](C)CC[N-]S(=O)(=O)c2ccc(F)cc2F)cc1 ZINC000462310679 502386690 /nfs/dbraw/zinc/38/66/90/502386690.db2.gz APQSDOOIOFPVTM-LBPRGKRZSA-N -1 3 355.406 3.446 20 0 FGADHM COc1ccccc1[C@@]1(C)C[C@@H]1[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000462313445 502389309 /nfs/dbraw/zinc/38/93/09/502389309.db2.gz FJUSNNPHKSHVPW-DLBZAZTESA-N -1 3 369.845 3.496 20 0 FGADHM CC(C)n1ncc2c1C[C@H](NC(=O)CCCc1ccc([O-])c(F)c1)CC2 ZINC000469372873 502390155 /nfs/dbraw/zinc/39/01/55/502390155.db2.gz GXHQKORKWYCVNT-MRXNPFEDSA-N -1 3 359.445 3.305 20 0 FGADHM Cc1nc(C)c(CC(=O)N2CCC(c3ccc(Cl)cc3)CC2)c(=O)[n-]1 ZINC000479848913 502396079 /nfs/dbraw/zinc/39/60/79/502396079.db2.gz BVKPTKQHXXXTPZ-UHFFFAOYSA-N -1 3 359.857 3.401 20 0 FGADHM CCCC[C@@H](COC)[N-]S(=O)(=O)c1sc(C)cc1Br ZINC000462347366 502402560 /nfs/dbraw/zinc/40/25/60/502402560.db2.gz QDQCHUGBMGPCOB-JTQLQIEISA-N -1 3 370.334 3.303 20 0 FGADHM C[C@@H](CCC1CC1)[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000469408304 502404662 /nfs/dbraw/zinc/40/46/62/502404662.db2.gz QAKYNKKBBYQREK-VIFPVBQESA-N -1 3 350.253 3.445 20 0 FGADHM CC(C)(C[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)c1cccc(F)c1 ZINC000462354762 502405694 /nfs/dbraw/zinc/40/56/94/502405694.db2.gz MVYPLGABALPOSM-UHFFFAOYSA-N -1 3 361.360 3.499 20 0 FGADHM COc1ccc(CCNC(=O)c2cc(=O)c3ccccc3[n-]2)c(Cl)c1 ZINC000472654420 502411100 /nfs/dbraw/zinc/41/11/00/502411100.db2.gz MUCKOBWADWWNIP-UHFFFAOYSA-N -1 3 356.809 3.163 20 0 FGADHM CCN(CC)S(=O)(=O)[N-]c1cc(Cl)ccc1OCC(F)(F)F ZINC000487327523 502418384 /nfs/dbraw/zinc/41/83/84/502418384.db2.gz RTHSHFVSMYGTHV-UHFFFAOYSA-N -1 3 360.785 3.280 20 0 FGADHM 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COC(=O)COc1ccc(NC(=O)c2cc([O-])ccc2C(F)(F)F)cc1 ZINC000473313122 502564595 /nfs/dbraw/zinc/56/45/95/502564595.db2.gz ZRWLIMFGAQJKRT-UHFFFAOYSA-N -1 3 369.295 3.215 20 0 FGADHM O=S1(=O)[N-]C(CN2CCCC3(CCCCC3)CC2)=Nc2ccccc21 ZINC000469863157 502573267 /nfs/dbraw/zinc/57/32/67/502573267.db2.gz BMYQVJXJVVNFMJ-UHFFFAOYSA-N -1 3 361.511 3.445 20 0 FGADHM Cc1ccc(F)cc1-c1nnc([N-]C(=O)c2cn(C(C)(C)C)nn2)s1 ZINC000469873685 502578221 /nfs/dbraw/zinc/57/82/21/502578221.db2.gz OFPSMXOHYGKDEV-UHFFFAOYSA-N -1 3 360.418 3.251 20 0 FGADHM COc1ccc(C(=O)N=c2cc(-c3ccccc3)[n-][nH]2)c(OC(F)F)c1 ZINC000476759211 502579912 /nfs/dbraw/zinc/57/99/12/502579912.db2.gz KUAXGNDMMGYVGL-UHFFFAOYSA-N -1 3 359.332 3.361 20 0 FGADHM Cc1cc(C)c(-c2cc(=NC(=O)c3cn(C(C)(C)C)nn3)[nH][n-]2)cc1C ZINC000484172417 502593098 /nfs/dbraw/zinc/59/30/98/502593098.db2.gz GVEIANDVHZXTBM-UHFFFAOYSA-N -1 3 352.442 3.023 20 0 FGADHM CCCc1c(NC(=O)NCc2ncccc2[O-])cnn1-c1ccccc1 ZINC000469912594 502595123 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Cc1ccc(-c2nc(NC(=O)[C@H]3CCN(c4ccccc4)[C@H]3C)n[n-]2)o1 ZINC000476919628 502621380 /nfs/dbraw/zinc/62/13/80/502621380.db2.gz HSNMDMQHMFQDOL-ZFWWWQNUSA-N -1 3 351.410 3.227 20 0 FGADHM O=C(C[C@H](Cc1ccccc1)c1ccccc1)N1CCc2nc[n-]c(=O)c2C1 ZINC000476963596 502634412 /nfs/dbraw/zinc/63/44/12/502634412.db2.gz CXVHGUIOXKUZEI-IBGZPJMESA-N -1 3 373.456 3.484 20 0 FGADHM COc1ccc(S(=O)(=O)[N-][C@H]2CCCOc3c(F)cccc32)c(F)c1 ZINC000480675813 502638290 /nfs/dbraw/zinc/63/82/90/502638290.db2.gz AGYQJJNMCIHHKB-HNNXBMFYSA-N -1 3 369.389 3.166 20 0 FGADHM CCN(CC[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl)C1CC1 ZINC000477010305 502649011 /nfs/dbraw/zinc/64/90/11/502649011.db2.gz URJIUJOITQISMM-UHFFFAOYSA-N -1 3 351.299 3.064 20 0 FGADHM Cc1cc(C)cc(CN(C)C(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)c1 ZINC000470096711 502658337 /nfs/dbraw/zinc/65/83/37/502658337.db2.gz ZYGYINYATJTCNC-UHFFFAOYSA-N -1 3 364.442 3.086 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]Cc2cccc(-c3ccccn3)c2)c(F)c1 ZINC000480740718 502658568 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CCC(CC)(CCO)CNC(=O)Cc1ccc(Br)cc1[O-] ZINC000477126650 502685092 /nfs/dbraw/zinc/68/50/92/502685092.db2.gz OSPGHWCSEOWULR-UHFFFAOYSA-N -1 3 358.276 3.002 20 0 FGADHM O=C(c1cc([O-])ccc1C(F)(F)F)N(CCO)Cc1cccc(F)c1 ZINC000477129717 502685898 /nfs/dbraw/zinc/68/58/98/502685898.db2.gz UPNKRBNYBCIKPV-UHFFFAOYSA-N -1 3 357.303 3.185 20 0 FGADHM COc1cccc(Cl)c1-c1noc(C)c1C(=O)NCc1ncccc1[O-] ZINC000477140662 502689542 /nfs/dbraw/zinc/68/95/42/502689542.db2.gz UCZNVKWPSYOIMM-UHFFFAOYSA-N -1 3 373.796 3.343 20 0 FGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CN(C3CC3)C[C@@H]2C)c1Cl ZINC000480853189 502689906 /nfs/dbraw/zinc/68/99/06/502689906.db2.gz PHEKAQZFSMNZCU-GXFFZTMASA-N -1 3 363.310 3.063 20 0 FGADHM O=C(NCc1ncccc1[O-])c1cc(F)c(F)cc1C(=O)c1ccccc1 ZINC000477142746 502690768 /nfs/dbraw/zinc/69/07/68/502690768.db2.gz VMRPTOMSQJUDPL-UHFFFAOYSA-N -1 3 368.339 3.226 20 0 FGADHM CCC[C@@H](NC(=O)c1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1)C1CCCCC1 ZINC000480874042 502695458 /nfs/dbraw/zinc/69/54/58/502695458.db2.gz CURJUOJNFMEKEK-UTKZUKDTSA-N -1 3 371.481 3.220 20 0 FGADHM CO[C@H]1CCCC[C@H]1NC(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000473749737 502696305 /nfs/dbraw/zinc/69/63/05/502696305.db2.gz ZIGSGKKPRQAENZ-MOPGFXCFSA-N -1 3 353.418 3.311 20 0 FGADHM CCc1[n-][nH]c(=NC(=O)c2ccccc2OCc2csc(C)n2)c1C ZINC000477179428 502700573 /nfs/dbraw/zinc/70/05/73/502700573.db2.gz RNICLULXVXZMAQ-UHFFFAOYSA-N -1 3 356.451 3.299 20 0 FGADHM Cc1ccc(F)c(S(=O)(=O)[N-]Cc2c(F)cccc2OC(F)F)c1 ZINC000480953158 502712222 /nfs/dbraw/zinc/71/22/22/502712222.db2.gz MCPLGJOEAYFGMF-UHFFFAOYSA-N -1 3 363.332 3.353 20 0 FGADHM CCN(C(=O)N=c1cc(C)c(C)n[n-]1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000473812444 502713442 /nfs/dbraw/zinc/71/34/42/502713442.db2.gz YHKVMEAJQCPXLX-MJGOQNOKSA-N -1 3 367.497 3.205 20 0 FGADHM C[C@@H](NC(=O)c1ccc([N-]S(C)(=O)=O)cc1)c1c(F)cccc1Cl ZINC000477238856 502716360 /nfs/dbraw/zinc/71/63/60/502716360.db2.gz JUHBQGHAWAJBEW-SNVBAGLBSA-N -1 3 370.833 3.342 20 0 FGADHM CO[C@]1(C)C[C@@H]([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)C1(C)C ZINC000466891449 502716448 /nfs/dbraw/zinc/71/64/48/502716448.db2.gz JSOVHQVIVRLLLQ-TZMCWYRMSA-N -1 3 369.380 3.326 20 0 FGADHM O=S(=O)([N-]c1cc(-c2nc[nH]n2)ccc1F)c1ccc2c(c1)CCCC2 ZINC000470253485 502717107 /nfs/dbraw/zinc/71/71/07/502717107.db2.gz DCGLKIBYZCJFKD-UHFFFAOYSA-N -1 3 372.425 3.290 20 0 FGADHM Cc1ccc(C)c(OCCCCC(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)c1 ZINC000473842650 502720856 /nfs/dbraw/zinc/72/08/56/502720856.db2.gz KRYVIOWMLIHGAU-KRWDZBQOSA-N -1 3 357.454 3.488 20 0 FGADHM Cc1cccc(S(=O)(=O)[N-]Cc2c(F)cccc2OC(F)F)c1F ZINC000480990067 502721633 /nfs/dbraw/zinc/72/16/33/502721633.db2.gz OCNHTWQWIBQGNT-UHFFFAOYSA-N -1 3 363.332 3.353 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]Cc2cc(=O)[nH]c3ccccc23)sc1Cl ZINC000473865144 502731247 /nfs/dbraw/zinc/73/12/47/502731247.db2.gz MUSFQEKINUCJGI-UHFFFAOYSA-N -1 3 368.867 3.442 20 0 FGADHM CCc1cc(=O)[n-]c(CSCC(=O)Nc2cc(Cl)ccc2OC)n1 ZINC000477359831 502753728 /nfs/dbraw/zinc/75/37/28/502753728.db2.gz XPZRAPHKOCJXFH-UHFFFAOYSA-N -1 3 367.858 3.279 20 0 FGADHM COc1cc(Cl)c(C)cc1NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000588767768 506332155 /nfs/dbraw/zinc/33/21/55/506332155.db2.gz LMKIBAQIXWTRLQ-UHFFFAOYSA-N -1 3 359.769 3.185 20 0 FGADHM CC[C@@H](C(=O)N=c1nc(-c2ccccc2Cl)[n-]n1C)c1c(C)noc1C ZINC000484896123 502767854 /nfs/dbraw/zinc/76/78/54/502767854.db2.gz VQYRCTIZVXSUMH-GFCCVEGCSA-N -1 3 373.844 3.295 20 0 FGADHM CC1(C)C[C@H](NC(=O)Cc2ccc(Br)cc2[O-])C(C)(C)O1 ZINC000477438266 502774632 /nfs/dbraw/zinc/77/46/32/502774632.db2.gz ILXJCUYKZNZOBX-ZDUSSCGKSA-N -1 3 356.260 3.160 20 0 FGADHM COC(=O)[C@H](CS(=O)(=O)[N-]c1ccccc1Cl)c1ccccc1 ZINC000477505658 502791745 /nfs/dbraw/zinc/79/17/45/502791745.db2.gz PPUXUQMWFAKZCF-CYBMUJFWSA-N -1 3 353.827 3.039 20 0 FGADHM Cc1cccc(S(=O)(=O)[N-][C@@H](C)[C@@H](c2ccccc2)N(C)C)c1F ZINC000477524281 502798224 /nfs/dbraw/zinc/79/82/24/502798224.db2.gz VSLYFAYTZZUPRE-KSSFIOAISA-N -1 3 350.459 3.104 20 0 FGADHM CCn1cnc(S(=O)(=O)[N-]C(C)(c2ccccc2)c2ccccc2)c1 ZINC000474080389 502802664 /nfs/dbraw/zinc/80/26/64/502802664.db2.gz HEBOYLPWUWGFJE-UHFFFAOYSA-N -1 3 355.463 3.145 20 0 FGADHM CCC[C@@H](CC)[N-]S(=O)(=O)c1cc(OC)ccc1Br ZINC000474095062 502807250 /nfs/dbraw/zinc/80/72/50/502807250.db2.gz GLQPHIFOBXCINA-SNVBAGLBSA-N -1 3 350.278 3.315 20 0 FGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]CCCOCC1CC1 ZINC000470546209 502809874 /nfs/dbraw/zinc/80/98/74/502809874.db2.gz JLFSKUVUMGMVCJ-UHFFFAOYSA-N -1 3 357.859 3.490 20 0 FGADHM O=C(Cc1ccc2c(c1)OCO2)Nc1nnc(-c2cc3ccccc3o2)[n-]1 ZINC000485090732 502814492 /nfs/dbraw/zinc/81/44/92/502814492.db2.gz DWALCDYOZUNOML-UHFFFAOYSA-N -1 3 362.345 3.128 20 0 FGADHM O=C(Cc1ccc2c(c1)OCO2)Nc1nc(-c2cc3ccccc3o2)n[n-]1 ZINC000485090732 502814494 /nfs/dbraw/zinc/81/44/94/502814494.db2.gz DWALCDYOZUNOML-UHFFFAOYSA-N -1 3 362.345 3.128 20 0 FGADHM O=C(Cc1ccc2c(c1)OCO2)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000485090732 502814496 /nfs/dbraw/zinc/81/44/96/502814496.db2.gz DWALCDYOZUNOML-UHFFFAOYSA-N -1 3 362.345 3.128 20 0 FGADHM COc1ccc(C)cc1CC[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000488865649 502828443 /nfs/dbraw/zinc/82/84/43/502828443.db2.gz ZLBZZFIOCVWEGN-UHFFFAOYSA-N -1 3 357.834 3.317 20 0 FGADHM COc1cc(C)cnc1C(=O)[N-]c1nnc(Cc2cccc(F)c2)s1 ZINC000488879266 502831050 /nfs/dbraw/zinc/83/10/50/502831050.db2.gz OPDOBFWMSAMPOY-UHFFFAOYSA-N -1 3 358.398 3.232 20 0 FGADHM C[C@H](COc1cccc(F)c1)[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000488920135 502838522 /nfs/dbraw/zinc/83/85/22/502838522.db2.gz PPKCUVCGRWCZKS-SNVBAGLBSA-N -1 3 361.797 3.364 20 0 FGADHM O=C(c1cc([O-])ccc1Cl)N1CCN[C@@H](c2cccc(Cl)c2)C1 ZINC000513100126 502852314 /nfs/dbraw/zinc/85/23/14/502852314.db2.gz HBJMDYKKFCGYHE-MRXNPFEDSA-N -1 3 351.233 3.486 20 0 FGADHM Cc1ccc(-n2cc(NC(=O)c3cc(F)cc4[n-]nnc43)cn2)c(C)c1 ZINC000505117738 502854418 /nfs/dbraw/zinc/85/44/18/502854418.db2.gz PYKCJVFSTNVEQC-UHFFFAOYSA-N -1 3 350.357 3.152 20 0 FGADHM Cc1ccc(-n2cc(NC(=O)c3cc(F)cc4nn[n-]c43)cn2)c(C)c1 ZINC000505117738 502854420 /nfs/dbraw/zinc/85/44/20/502854420.db2.gz PYKCJVFSTNVEQC-UHFFFAOYSA-N -1 3 350.357 3.152 20 0 FGADHM Cc1ccc(-n2cc(NC(=O)c3cc(F)cc4n[n-]nc43)cn2)c(C)c1 ZINC000505117738 502854424 /nfs/dbraw/zinc/85/44/24/502854424.db2.gz PYKCJVFSTNVEQC-UHFFFAOYSA-N -1 3 350.357 3.152 20 0 FGADHM COC(=O)[C@@H]1CCCCCC[C@@H]1NC(=O)Cc1ccc([O-])cc1Cl ZINC000509238974 502856720 /nfs/dbraw/zinc/85/67/20/502856720.db2.gz KSICCMCFQYGJEP-ZBFHGGJFSA-N -1 3 353.846 3.216 20 0 FGADHM CC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cccc3c2OCO3)c1 ZINC000509254340 502860815 /nfs/dbraw/zinc/86/08/15/502860815.db2.gz KMZYVPRYHJUXAP-UHFFFAOYSA-N -1 3 353.783 3.072 20 0 FGADHM CCOC(=O)[C@H](CC)Sc1n[n-]c(COc2ccc(Cl)cc2)n1 ZINC000496048066 502871184 /nfs/dbraw/zinc/87/11/84/502871184.db2.gz RCQSNUJAVYICQT-LBPRGKRZSA-N -1 3 355.847 3.471 20 0 FGADHM COc1ccc(Cn2ncc(C)c2NC(=O)c2cccc([O-])c2)cc1OC ZINC000509307515 502871684 /nfs/dbraw/zinc/87/16/84/502871684.db2.gz TWFDDIAYMHIJQY-UHFFFAOYSA-N -1 3 367.405 3.215 20 0 FGADHM COc1cc(F)c([N-]C(=O)c2ncsc2Br)cc1OC ZINC000513199157 502876684 /nfs/dbraw/zinc/87/66/84/502876684.db2.gz MLRMHZDVAJEMEK-UHFFFAOYSA-N -1 3 361.192 3.314 20 0 FGADHM O=S(=O)([N-]Cc1ccsc1)c1cccc(OC(F)(F)F)c1F ZINC000489115417 502881991 /nfs/dbraw/zinc/88/19/91/502881991.db2.gz LHKOHIPUYJZTNN-UHFFFAOYSA-N -1 3 355.334 3.264 20 0 FGADHM Cc1c2ccccc2oc1C(=O)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000513257240 502890806 /nfs/dbraw/zinc/89/08/06/502890806.db2.gz NKSQSFKCCYJQCB-UHFFFAOYSA-N -1 3 364.401 3.045 20 0 FGADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCN[C@H](c2cccc(F)c2)C1 ZINC000505497989 502917718 /nfs/dbraw/zinc/91/77/18/502917718.db2.gz GPFCUYOGYMWHKQ-SFHVURJKSA-N -1 3 360.404 3.166 20 0 FGADHM COc1ccc(C(=O)Nc2n[n-]c(-c3ccccc3F)n2)c(C)c1OC ZINC000497116207 502921774 /nfs/dbraw/zinc/92/17/74/502921774.db2.gz QTZAAPBQGIPEDU-UHFFFAOYSA-N -1 3 356.357 3.189 20 0 FGADHM Cc1ccccc1C[C@@H]1CCCN1C(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000513561488 502965437 /nfs/dbraw/zinc/96/54/37/502965437.db2.gz XCZBMGGJDURKDC-SFHVURJKSA-N -1 3 353.466 3.274 20 0 FGADHM Cc1csc2ncnc([N-]c3nc(-c4c[nH]c(C(N)=O)c4)cs3)c12 ZINC000505756577 502979876 /nfs/dbraw/zinc/97/98/76/502979876.db2.gz MWUCLLSKDHDMHG-UHFFFAOYSA-N -1 3 356.436 3.294 20 0 FGADHM C[C@@H](Sc1ccccc1C(=O)Nc1ccc(Cl)cc1[O-])C(N)=O ZINC000513622770 502982807 /nfs/dbraw/zinc/98/28/07/502982807.db2.gz YFXWRJPLHKYUTE-SECBINFHSA-N -1 3 350.827 3.264 20 0 FGADHM C[C@@H](c1ccccc1)N1CC[C@@H]([N-]S(=O)(=O)c2cccc(F)c2F)C1 ZINC000509793755 502986941 /nfs/dbraw/zinc/98/69/41/502986941.db2.gz IXZUNOUXDIJVLG-DZGCQCFKSA-N -1 3 366.433 3.079 20 0 FGADHM O=C(CC[C@@H]1Cc2ccccc2NC1=O)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000497563036 502988920 /nfs/dbraw/zinc/98/89/20/502988920.db2.gz HYYPYPLYTQNEOB-MRXNPFEDSA-N -1 3 360.417 3.028 20 0 FGADHM COc1cc(C(=O)NCc2ccc(NC(=O)c3ccco3)cc2)ccc1[O-] ZINC000509858172 502999436 /nfs/dbraw/zinc/99/94/36/502999436.db2.gz LHYAHEDTJVQIAJ-UHFFFAOYSA-N -1 3 366.373 3.176 20 0 FGADHM CCOC(=O)c1cc(Cl)cc(S(=O)(=O)[N-][C@@H](C)CC(F)(F)F)c1 ZINC000489650142 503004532 /nfs/dbraw/zinc/00/45/32/503004532.db2.gz ODWWKQXDJDXVKD-QMMMGPOBSA-N -1 3 373.780 3.136 20 0 FGADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)C(=O)c3cc(F)ccc3C)cc2)n1 ZINC000513705646 503005105 /nfs/dbraw/zinc/00/51/05/503005105.db2.gz LIFJBAVMFRKCAY-UHFFFAOYSA-N -1 3 365.364 3.014 20 0 FGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]CCSc2ccccc2)c1 ZINC000489650358 503005308 /nfs/dbraw/zinc/00/53/08/503005308.db2.gz INUDGKBQBGSNTQ-UHFFFAOYSA-N -1 3 357.884 3.419 20 0 FGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@@H]2CCC(C)(C)C2)cc1OC ZINC000513726001 503010968 /nfs/dbraw/zinc/01/09/68/503010968.db2.gz TVEPZMJMHSCXHS-GFCCVEGCSA-N -1 3 354.472 3.222 20 0 FGADHM O=C(Nc1nc2cc(C(F)(F)F)ccc2[nH]1)c1csc(=NC2CC2)[n-]1 ZINC000497674337 503012651 /nfs/dbraw/zinc/01/26/51/503012651.db2.gz RCBLCSDEKABNHK-UHFFFAOYSA-N -1 3 367.356 3.287 20 0 FGADHM O=C(Nc1nc2ccc(C(F)(F)F)cc2[nH]1)c1csc(=NC2CC2)[n-]1 ZINC000497674337 503012655 /nfs/dbraw/zinc/01/26/55/503012655.db2.gz RCBLCSDEKABNHK-UHFFFAOYSA-N -1 3 367.356 3.287 20 0 FGADHM C[C@@H]1c2cccc(Br)c2CCN1C(=O)c1ccc2n[n-]nc2c1 ZINC000509933944 503014467 /nfs/dbraw/zinc/01/44/67/503014467.db2.gz YVROLRWIMOOFEA-SNVBAGLBSA-N -1 3 371.238 3.480 20 0 FGADHM CSc1ccccc1C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000513757130 503017133 /nfs/dbraw/zinc/01/71/33/503017133.db2.gz KWDIHDOHSRNEMJ-UHFFFAOYSA-N -1 3 362.252 3.493 20 0 FGADHM CC[C@@H](C)[C@@](C)(O)C[N-]S(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000501482100 503017540 /nfs/dbraw/zinc/01/75/40/503017540.db2.gz OQSRRACJDGSUAS-YGRLFVJLSA-N -1 3 354.299 3.210 20 0 FGADHM COC(=O)c1cc(C(=O)Nc2cc(Br)c(F)cc2C)c[n-]1 ZINC000505946944 503018229 /nfs/dbraw/zinc/01/82/29/503018229.db2.gz CHCJOFMTNZCCHX-UHFFFAOYSA-N -1 3 355.163 3.264 20 0 FGADHM C[C@@](O)(CCc1ccccc1)C(=O)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1 ZINC000513769317 503019114 /nfs/dbraw/zinc/01/91/14/503019114.db2.gz JTAWNVFZZWPZRP-HXUWFJFHSA-N -1 3 371.387 3.099 20 0 FGADHM 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20 0 FGADHM Cc1ccc([C@@H](C)C[N-]S(=O)(=O)c2cccnc2C(F)(F)F)cc1 ZINC000516102468 503446518 /nfs/dbraw/zinc/44/65/18/503446518.db2.gz JRKZRZPQCRMJHS-LBPRGKRZSA-N -1 3 358.385 3.491 20 0 FGADHM CCCC[C@H](CC)C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000508180247 503446942 /nfs/dbraw/zinc/44/69/42/503446942.db2.gz VAAFPQUIVUZCDW-NSHDSACASA-N -1 3 366.936 3.012 20 0 FGADHM CCN(C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)[C@@H](C)C(C)C ZINC000493927300 503459856 /nfs/dbraw/zinc/45/98/56/503459856.db2.gz TYYFZONYDNRNKO-LBPRGKRZSA-N -1 3 371.478 3.165 20 0 FGADHM COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCC[C@@H]1C ZINC000499700941 503461178 /nfs/dbraw/zinc/46/11/78/503461178.db2.gz ASYWCCQLTDOTQX-GXTWGEPZSA-N -1 3 361.891 3.222 20 0 FGADHM O=S(=O)([N-]CCC1CCOCC1)c1cc(C(F)(F)F)ccc1Cl ZINC000512138058 503466929 /nfs/dbraw/zinc/46/69/29/503466929.db2.gz KIQWBKRDVYJJGF-UHFFFAOYSA-N -1 3 371.808 3.454 20 0 FGADHM CCc1nocc1CN(C)C(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000512146002 503469596 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/nfs/dbraw/zinc/06/59/11/504065911.db2.gz CXDYLHJWFKSDTO-NEPJUHHUSA-N -1 3 352.221 3.217 20 0 FGADHM Cc1cc(NC(=O)c2ccc3n[n-]nc3c2)ccc1C(=O)OC(C)(C)C ZINC000534210193 504071635 /nfs/dbraw/zinc/07/16/35/504071635.db2.gz JELISTFDFRDMDD-UHFFFAOYSA-N -1 3 352.394 3.474 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(NCCOc3ccc(C)cc3C)nc2)n1 ZINC000518845631 504078288 /nfs/dbraw/zinc/07/82/88/504078288.db2.gz FOIVXBSYRGIVTQ-UHFFFAOYSA-N -1 3 364.449 3.336 20 0 FGADHM C[C@@]1(c2ccc(C(=O)Nc3ccc(F)c(C4CC4)c3)cc2)NC(=O)[N-]C1=O ZINC000547407422 504093396 /nfs/dbraw/zinc/09/33/96/504093396.db2.gz RTPNUIWIXPISAJ-FQEVSTJZSA-N -1 3 367.380 3.010 20 0 FGADHM Cc1cc(CN2CCN(C(=O)c3cccc([O-])c3)CC2)cc2cccnc12 ZINC000544348052 504097026 /nfs/dbraw/zinc/09/70/26/504097026.db2.gz HFKJGNWSUQOZHW-UHFFFAOYSA-N -1 3 361.445 3.207 20 0 FGADHM O=C(Nc1nc2c(s1)CCCC2)c1c[n-]nc1-c1ccc2c(c1)OCO2 ZINC000541395765 504116279 /nfs/dbraw/zinc/11/62/79/504116279.db2.gz CQXQKQFPQJKAEO-UHFFFAOYSA-N -1 3 368.418 3.393 20 0 FGADHM CCc1cccc(C(=O)N2CCC(O)(Cc3ccc(F)cc3)CC2)c1[O-] ZINC000547498026 504126946 /nfs/dbraw/zinc/12/69/46/504126946.db2.gz ZSBIDTNIPJPKEB-UHFFFAOYSA-N -1 3 357.425 3.304 20 0 FGADHM COC[C@H]([N-]S(=O)(=O)c1cc(F)cc(Cl)c1)c1ccc(F)cc1 ZINC000534410244 504134150 /nfs/dbraw/zinc/13/41/50/504134150.db2.gz CINPSLPKHQBVGV-HNNXBMFYSA-N -1 3 361.797 3.284 20 0 FGADHM CC(C)N(C)C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000538119384 504136537 /nfs/dbraw/zinc/13/65/37/504136537.db2.gz HCSREBGTBJOCGD-UHFFFAOYSA-N -1 3 357.635 3.424 20 0 FGADHM CC(C)N(C)C(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000538119384 504136542 /nfs/dbraw/zinc/13/65/42/504136542.db2.gz HCSREBGTBJOCGD-UHFFFAOYSA-N -1 3 357.635 3.424 20 0 FGADHM Cc1ccnc(C(C)(C)c2noc(-c3ccc([N-]S(C)(=O)=O)cc3)n2)c1 ZINC000528267725 504138025 /nfs/dbraw/zinc/13/80/25/504138025.db2.gz XYSVNEVYKSFMAM-UHFFFAOYSA-N -1 3 372.450 3.137 20 0 FGADHM CN(CC[N-]S(=O)(=O)c1cc(Cl)sc1Cl)C1CCCC1 ZINC000519150601 504151716 /nfs/dbraw/zinc/15/17/16/504151716.db2.gz 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ZINC000531094705 504187028 /nfs/dbraw/zinc/18/70/28/504187028.db2.gz MWSPJTLFZUAODB-OAHLLOKOSA-N -1 3 374.840 3.199 20 0 FGADHM O=C(Nc1cc(F)ccc1[O-])c1cnn(-c2ccccn2)c1C(F)(F)F ZINC000531134741 504199346 /nfs/dbraw/zinc/19/93/46/504199346.db2.gz AQLOIDSXKBJVDE-UHFFFAOYSA-N -1 3 366.274 3.383 20 0 FGADHM CSc1cccc(N2C[C@@H](C(=O)Nc3cc(F)ccc3[O-])CC2=O)c1 ZINC000531135250 504199777 /nfs/dbraw/zinc/19/97/77/504199777.db2.gz PUEUGHKKBQSUEZ-NSHDSACASA-N -1 3 360.410 3.245 20 0 FGADHM Cc1cc(CS(=O)(=O)[N-][C@H](c2ccc(Cl)cc2)[C@H]2C[C@H]2C)on1 ZINC000531143941 504205945 /nfs/dbraw/zinc/20/59/45/504205945.db2.gz IMYLZFSHKDAEAI-HPEXNQPKSA-N -1 3 354.859 3.453 20 0 FGADHM NC(=O)c1ccc(CN(C(=O)c2ccc3c(c2[O-])CCCC3)C2CC2)cc1 ZINC000541631101 504206673 /nfs/dbraw/zinc/20/66/73/504206673.db2.gz LKSSTGULRBWFEB-UHFFFAOYSA-N -1 3 364.445 3.175 20 0 FGADHM COc1cccc(OC(F)(F)F)c1S(=O)(=O)[N-][C@@H]1C[C@H]1CC(C)C ZINC000528413694 504212763 /nfs/dbraw/zinc/21/27/63/504212763.db2.gz DTUUTOFKOXKDTI-GHMZBOCLSA-N 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/nfs/dbraw/zinc/24/43/53/504244353.db2.gz AYFQXZUGUYWMPF-LBPRGKRZSA-N -1 3 354.385 3.437 20 0 FGADHM COc1cc(=NC(=O)NC(C)(C)Cc2ccc(Cl)cc2Cl)[n-]n1C ZINC000547839625 504244631 /nfs/dbraw/zinc/24/46/31/504244631.db2.gz XLNXAGVUTUDPGQ-UHFFFAOYSA-N -1 3 371.268 3.300 20 0 FGADHM CC(C)CC1(C(=O)Nc2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)CCCC1 ZINC000531261668 504245739 /nfs/dbraw/zinc/24/57/39/504245739.db2.gz PKNSJRWFXXIGSK-LJQANCHMSA-N -1 3 357.454 3.286 20 0 FGADHM CCOC(=O)c1[n-]c(C)nc1NC(=O)c1csc(Br)c1C ZINC000547863232 504253823 /nfs/dbraw/zinc/25/38/23/504253823.db2.gz ZBXGKHQORJKTLE-UHFFFAOYSA-N -1 3 372.244 3.280 20 0 FGADHM CCOC(=O)c1nc(C)[n-]c1NC(=O)c1csc(Br)c1C ZINC000547863232 504253828 /nfs/dbraw/zinc/25/38/28/504253828.db2.gz ZBXGKHQORJKTLE-UHFFFAOYSA-N -1 3 372.244 3.280 20 0 FGADHM Cc1cc(C)c(-c2cc(=NC(=O)c3cnc4nccnc4c3)[nH][n-]2)cc1C ZINC000544819150 504270008 /nfs/dbraw/zinc/27/00/08/504270008.db2.gz GCJTUOBNQRDODP-UHFFFAOYSA-N -1 3 358.405 3.014 20 0 FGADHM 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/nfs/dbraw/zinc/28/22/40/504282240.db2.gz DHGRHUQSMXULQL-UHFFFAOYSA-N -1 3 360.451 3.338 20 0 FGADHM C[C@@H](c1ccccc1)N1CC[C@@H](N=c2[n-]nc(-c3ccccn3)s2)C1 ZINC000544858125 504283453 /nfs/dbraw/zinc/28/34/53/504283453.db2.gz XORTXQVGAGIMMG-GOEBONIOSA-N -1 3 351.479 3.269 20 0 FGADHM Cc1cccc(C)c1[C@H](C)NC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000544884027 504289594 /nfs/dbraw/zinc/28/95/94/504289594.db2.gz IIALHQPQXCTGQB-ZDUSSCGKSA-N -1 3 364.442 3.305 20 0 FGADHM Cc1noc(C)c1S(=O)(=O)[N-]C1CCC(c2ccc(F)cc2)CC1 ZINC000541916301 504300818 /nfs/dbraw/zinc/30/08/18/504300818.db2.gz FSGFHGYZNBZQOW-UHFFFAOYSA-N -1 3 352.431 3.435 20 0 FGADHM Cc1ccc(CC[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2F)o1 ZINC000548042315 504307789 /nfs/dbraw/zinc/30/77/89/504307789.db2.gz CTNDQHNVBIBXRK-UHFFFAOYSA-N -1 3 351.321 3.267 20 0 FGADHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)N[C@@H](C1CCCCC1)C(F)(F)F ZINC000548066719 504316272 /nfs/dbraw/zinc/31/62/72/504316272.db2.gz HKIBAPRGVGSVSB-OCCSQVGLSA-N -1 3 360.380 3.316 20 0 FGADHM CCOC(=O)c1[n-]c(C)nc1NC(=O)c1cccc([C@H]2CCCOC2)c1 ZINC000535037230 504322032 /nfs/dbraw/zinc/32/20/32/504322032.db2.gz LLNKCGOYLDXLLP-HNNXBMFYSA-N -1 3 357.410 3.041 20 0 FGADHM CCOC(=O)c1nc(C)[n-]c1NC(=O)c1cccc([C@H]2CCCOC2)c1 ZINC000535037230 504322035 /nfs/dbraw/zinc/32/20/35/504322035.db2.gz LLNKCGOYLDXLLP-HNNXBMFYSA-N -1 3 357.410 3.041 20 0 FGADHM Cc1ccc2oc(-c3nc(-c4ccc([N-]S(C)(=O)=O)cc4)no3)cc2n1 ZINC000545004154 504327584 /nfs/dbraw/zinc/32/75/84/504327584.db2.gz UIFXFLGORRDPKQ-UHFFFAOYSA-N -1 3 370.390 3.225 20 0 FGADHM CCc1ccccc1-c1noc(CS(=O)(=O)[N-]C2CCC(C)CC2)n1 ZINC000545025652 504334773 /nfs/dbraw/zinc/33/47/73/504334773.db2.gz QIMYWQMFKARLMZ-UHFFFAOYSA-N -1 3 363.483 3.297 20 0 FGADHM O=C([O-])[C@@H](Cn1ccc(C(F)(F)F)n1)NCc1ccc(C(F)F)cc1 ZINC000519808316 504347595 /nfs/dbraw/zinc/34/75/95/504347595.db2.gz DZGKFOMXQOPOLB-LLVKDONJSA-N -1 3 363.286 3.083 20 0 FGADHM CCCn1c(=O)[n-]c(=O)c2c(-c3nc([C@@H]4C[C@H]4C)no3)cc(C(C)C)nc21 ZINC000545069543 504348000 /nfs/dbraw/zinc/34/80/00/504348000.db2.gz XJYVZKNILXXPSE-GHMZBOCLSA-N -1 3 369.425 3.204 20 0 FGADHM Cc1cc(C)c2[n-]cc(C(=O)N(Cc3ccccc3)C[C@H](C)O)c(=O)c2c1 ZINC000548185153 504362774 /nfs/dbraw/zinc/36/27/74/504362774.db2.gz HIPZCFICLHQCEL-INIZCTEOSA-N -1 3 364.445 3.168 20 0 FGADHM O=C(c1cc([O-])cc(Br)c1)N1CCC[C@]2(CCCOC2)C1 ZINC000528748944 504362894 /nfs/dbraw/zinc/36/28/94/504362894.db2.gz QYUSOSUGDZDGKD-INIZCTEOSA-N -1 3 354.244 3.188 20 0 FGADHM CCc1cc(=O)[n-]c(CN[C@H](CN(C)C)c2ccc(Cl)c(Cl)c2)n1 ZINC000528763643 504370153 /nfs/dbraw/zinc/37/01/53/504370153.db2.gz HXKJVUVLDNQPIN-OAHLLOKOSA-N -1 3 369.296 3.444 20 0 FGADHM CCOc1cc(C(=O)NCCN2CCCC[C@@H]2CC)cc(Cl)c1[O-] ZINC000545146830 504373944 /nfs/dbraw/zinc/37/39/44/504373944.db2.gz WHMKLACANTWXSK-AWEZNQCLSA-N -1 3 354.878 3.439 20 0 FGADHM CCc1cc(=O)[n-]c(CS[C@@H](C)C(=O)N[C@@H]2CCOc3ccccc32)n1 ZINC000531658835 504382088 /nfs/dbraw/zinc/38/20/88/504382088.db2.gz ZBGWNYKXBJPRRD-SWLSCSKDSA-N -1 3 373.478 3.006 20 0 FGADHM CC(C)[C@@H]1OCCC[C@H]1CNC(=O)c1cc([O-])cc(Br)c1 ZINC000528792897 504384534 /nfs/dbraw/zinc/38/45/34/504384534.db2.gz KNQXLMAUKKEJRF-NHYWBVRUSA-N -1 3 356.260 3.336 20 0 FGADHM COc1cc(C(=O)NC[C@H](c2cccs2)N(C)C)cc(Cl)c1[O-] ZINC000545179136 504385732 /nfs/dbraw/zinc/38/57/32/504385732.db2.gz WBLWAFCNIRCQCZ-GFCCVEGCSA-N -1 3 354.859 3.148 20 0 FGADHM CCOc1nc2ccc(C(=O)Nc3cc(C(=O)OC)ccc3C)cc2[n-]1 ZINC000538833316 504385992 /nfs/dbraw/zinc/38/59/92/504385992.db2.gz VOTDDSODGAWHRM-UHFFFAOYSA-N -1 3 353.378 3.309 20 0 FGADHM CCOc1nc2cc(C(=O)Nc3cc(C(=O)OC)ccc3C)ccc2[n-]1 ZINC000538833316 504385998 /nfs/dbraw/zinc/38/59/98/504385998.db2.gz VOTDDSODGAWHRM-UHFFFAOYSA-N -1 3 353.378 3.309 20 0 FGADHM COc1cc(C(=O)NC[C@H](c2cccc(F)c2)N(C)C)cc(Cl)c1[O-] ZINC000545179297 504386466 /nfs/dbraw/zinc/38/64/66/504386466.db2.gz AGZDZRSOPNBLDA-OAHLLOKOSA-N -1 3 366.820 3.226 20 0 FGADHM O=S(=O)([N-]C1CC(c2ccccc2)C1)c1ccc(C(F)(F)F)cn1 ZINC000545189209 504390431 /nfs/dbraw/zinc/39/04/31/504390431.db2.gz 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/nfs/dbraw/zinc/88/61/50/504886150.db2.gz TVHRBZXMETUGPM-UHFFFAOYSA-N -1 3 368.368 3.144 20 0 FGADHM COc1ccccc1C1(CNC(=O)c2cc(=O)[n-]c(C3CC3)n2)CCCC1 ZINC000553370545 504896664 /nfs/dbraw/zinc/89/66/64/504896664.db2.gz ZIXRMFPONPSKGL-UHFFFAOYSA-N -1 3 367.449 3.310 20 0 FGADHM CO[C@@H]1CCOc2c(NC(=O)c3n[n-]nc3-c3ccccc3)cccc21 ZINC000549783143 504897882 /nfs/dbraw/zinc/89/78/82/504897882.db2.gz XQHDXTOBQJFTLD-OAHLLOKOSA-N -1 3 350.378 3.194 20 0 FGADHM Cc1ccc2[n-]cc(C(=O)N(C)[C@H](C)[C@@H]3Cc4ccccc4O3)c(=O)c2c1 ZINC000553431098 504912627 /nfs/dbraw/zinc/91/26/27/504912627.db2.gz FVDUXPCTXWVSCL-VLIAUNLRSA-N -1 3 362.429 3.301 20 0 FGADHM Cc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F)CCC2 ZINC000549848875 504916139 /nfs/dbraw/zinc/91/61/39/504916139.db2.gz SUKYEXJQTICXKV-ZDUSSCGKSA-N -1 3 373.400 3.103 20 0 FGADHM CC1(C)C[C@H](NC(=O)c2c[n-]c3ccncc3c2=O)c2ccc(F)cc2O1 ZINC000562709958 504916697 /nfs/dbraw/zinc/91/66/97/504916697.db2.gz RNTNWPRICIJMMJ-INIZCTEOSA-N -1 3 367.380 3.094 20 0 FGADHM CCOc1ccncc1S(=O)(=O)[N-][C@H]1CCc2sc(Cl)cc21 ZINC000562718506 504920611 /nfs/dbraw/zinc/92/06/11/504920611.db2.gz BFHCQXISXQRDNV-JTQLQIEISA-N -1 3 358.872 3.161 20 0 FGADHM O=S(=O)([N-][C@@H]([C@H](CO)C1CC1)C1CC1)c1cc(Cl)ccc1Cl ZINC000562735008 504927218 /nfs/dbraw/zinc/92/72/18/504927218.db2.gz CLZKSSWNAZSHIJ-IUODEOHRSA-N -1 3 364.294 3.069 20 0 FGADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)[C@H]2CCCO2)cc1 ZINC000549986921 504947352 /nfs/dbraw/zinc/94/73/52/504947352.db2.gz GFBGYEKITPYGKT-QGZVFWFLSA-N -1 3 374.462 3.222 20 0 FGADHM O=S(=O)([N-][C@H](CCO)c1ccc(Cl)cc1)c1cc(F)cc(F)c1 ZINC000553569933 504951602 /nfs/dbraw/zinc/95/16/02/504951602.db2.gz OMQIQSYQWVUGTL-OAHLLOKOSA-N -1 3 361.797 3.020 20 0 FGADHM COC(=O)c1ccc(C(=O)Nc2cccc(OCc3cscn3)c2)[n-]1 ZINC000550028036 504953534 /nfs/dbraw/zinc/95/35/34/504953534.db2.gz ONKIDACLEXJPFG-UHFFFAOYSA-N -1 3 357.391 3.089 20 0 FGADHM CN(C)[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1F)c1cccs1 ZINC000559992988 504966148 /nfs/dbraw/zinc/96/61/48/504966148.db2.gz LSKDCEMRJSAJRT-LBPRGKRZSA-N -1 3 362.879 3.122 20 0 FGADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc3ccn(C)c(=O)c3c2)c(C)c1 ZINC000560012692 504969950 /nfs/dbraw/zinc/96/99/50/504969950.db2.gz KVNJFFBBFWCPIV-UHFFFAOYSA-N -1 3 372.446 3.046 20 0 FGADHM O=S(=O)([N-][C@@H]1CC[C@H](F)C1)c1cc(Br)cc2cccnc21 ZINC000562874162 504972392 /nfs/dbraw/zinc/97/23/92/504972392.db2.gz VMDJHXIIHOSBSP-NWDGAFQWSA-N -1 3 373.247 3.166 20 0 FGADHM O=S(=O)([N-]Cc1cccc(-n2ccnc2)c1)c1cc(Cl)ccc1F ZINC000560026183 504973549 /nfs/dbraw/zinc/97/35/49/504973549.db2.gz GEVWASHPHNUYET-UHFFFAOYSA-N -1 3 365.817 3.143 20 0 FGADHM CCOc1cc(CNCc2nnc(C)s2)cc(Br)c1[O-] ZINC000556785292 504973942 /nfs/dbraw/zinc/97/39/42/504973942.db2.gz RIHLMLDZCMTBTQ-UHFFFAOYSA-N -1 3 358.261 3.003 20 0 FGADHM O=S(=O)([N-]CC1(C(F)F)CC1)c1cccc(Br)c1Cl ZINC000560058020 504981227 /nfs/dbraw/zinc/98/12/27/504981227.db2.gz MGOKYHDACQGDDQ-UHFFFAOYSA-N -1 3 374.634 3.426 20 0 FGADHM O=C(c1c[n-]c2ccncc2c1=O)N1CCCC[C@@H]1Cc1ccc(F)cc1 ZINC000556822594 504984995 /nfs/dbraw/zinc/98/49/95/504984995.db2.gz IEWWTIYTLRLMJC-MRXNPFEDSA-N -1 3 365.408 3.300 20 0 FGADHM CC(C)=CCOc1cccc(C(=O)N=c2[nH][n-]cc2Br)c1 ZINC000556893506 505008644 /nfs/dbraw/zinc/00/86/44/505008644.db2.gz VMYYLQSVMJYGBB-UHFFFAOYSA-N -1 3 350.216 3.191 20 0 FGADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(F)c2Cl)cc1F ZINC000565974675 505042982 /nfs/dbraw/zinc/04/29/82/505042982.db2.gz VVZJBCWDODUKKI-UHFFFAOYSA-N -1 3 361.753 3.206 20 0 FGADHM C[C@H](NC(=O)[C@H](C)N1CC[C@@H](C)[C@H](C(=O)[O-])C1)c1cc2ccccc2o1 ZINC000563124674 505054812 /nfs/dbraw/zinc/05/48/12/505054812.db2.gz JPLLTFFUSBLSOF-ORIJERBGSA-N -1 3 358.438 3.041 20 0 FGADHM O=C(N[C@H]1CCC[C@H](c2nc3ccccc3[nH]2)C1)c1ccc(O)cc1[O-] ZINC000563175870 505067280 /nfs/dbraw/zinc/06/72/80/505067280.db2.gz ZYNNDJHZIINUTQ-STQMWFEESA-N -1 3 351.406 3.430 20 0 FGADHM Cc1ccc2c(ncc(C(=O)[O-])c2N2C[C@]3(CCOC3)OC(C)(C)C2)c1C ZINC000563204272 505075283 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CC(=O)c1cccc(NC(=O)Cc2c(C)nn(CC(F)(F)F)c2C)c1[O-] ZINC000560549097 505122962 /nfs/dbraw/zinc/12/29/62/505122962.db2.gz AJOHLZINMFQKTC-UHFFFAOYSA-N -1 3 369.343 3.152 20 0 FGADHM CCc1[n-][nH]c(=NC(=O)c2ccccc2-c2nc(C(C)(C)C)no2)c1C ZINC000563407648 505134349 /nfs/dbraw/zinc/13/43/49/505134349.db2.gz ORKXTZDIERWSCJ-UHFFFAOYSA-N -1 3 353.426 3.302 20 0 FGADHM CC[C@@H](NCC[N-]S(=O)(=O)c1ccc(F)cc1F)c1ccccc1F ZINC000563484176 505153275 /nfs/dbraw/zinc/15/32/75/505153275.db2.gz ZVQHSXHFORBDTQ-MRXNPFEDSA-N -1 3 372.412 3.123 20 0 FGADHM CC[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1OC ZINC000566397009 505164238 /nfs/dbraw/zinc/16/42/38/505164238.db2.gz NFSFOOBSGJXZIG-NXEZZACHSA-N -1 3 362.879 3.020 20 0 FGADHM O=S(=O)([N-]Cc1nnc(C2CC2)s1)c1cc(Cl)cc(Cl)c1 ZINC000563530039 505167654 /nfs/dbraw/zinc/16/76/54/505167654.db2.gz BXTRPEOYWFZOFG-UHFFFAOYSA-N -1 3 364.279 3.201 20 0 FGADHM O=C(N=c1cc2ccccn2[n-]1)N[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1 ZINC000554411768 505168777 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CSc1ccc(NC(=O)Cc2ccc(Br)cc2[O-])nc1 ZINC000551212033 505178186 /nfs/dbraw/zinc/17/81/86/505178186.db2.gz PWSPVLQIIIFZOB-UHFFFAOYSA-N -1 3 353.241 3.453 20 0 FGADHM O=C(Cc1cncc([O-])c1)N[C@@H]1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC000566468819 505184230 /nfs/dbraw/zinc/18/42/30/505184230.db2.gz AHNPMGJFGOQJHZ-LSDHHAIUSA-N -1 3 350.422 3.049 20 0 FGADHM O=C(Cc1cncc([O-])c1)N[C@@H]1CCc2c1ccc(F)c2Br ZINC000566472652 505185519 /nfs/dbraw/zinc/18/55/19/505185519.db2.gz QTAFCISJFWSBML-CQSZACIVSA-N -1 3 365.202 3.035 20 0 FGADHM O=C(c1cc(OCc2ccccc2)ccc1[O-])N1CC[C@H](O)C12CCCC2 ZINC000554551574 505205026 /nfs/dbraw/zinc/20/50/26/505205026.db2.gz BVYSRQHDBCVWGZ-FQEVSTJZSA-N -1 3 367.445 3.491 20 0 FGADHM C[C@]1(c2cccc(-c3noc([C@@H]4CC5CCC4CC5)n3)c2)NC(=O)[N-]C1=O ZINC000551354562 505207834 /nfs/dbraw/zinc/20/78/34/505207834.db2.gz ZSCBRLSYKPJQKV-GFFCOBGSSA-N -1 3 366.421 3.085 20 0 FGADHM CC(C)(C)Oc1cccc(CN2CC[C@](C(=O)[O-])(c3ccccc3)C2)n1 ZINC000566567345 505208192 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/nfs/dbraw/zinc/23/92/82/505239282.db2.gz VJJUUBHEENFPFR-UHFFFAOYSA-N -1 3 353.418 3.048 20 0 FGADHM C[C@H](C[N-]S(=O)(=O)c1cn2c(n1)CCC[C@H]2C)c1ccc(F)cc1 ZINC000563798515 505242344 /nfs/dbraw/zinc/24/23/44/505242344.db2.gz UZJVCJZOQMCYIP-CHWSQXEVSA-N -1 3 351.447 3.002 20 0 FGADHM O=C(NC[C@@H]1CC12CC2)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000561088170 505247469 /nfs/dbraw/zinc/24/74/69/505247469.db2.gz FHIHBYGGEDYGJA-AWEZNQCLSA-N -1 3 374.437 3.156 20 0 FGADHM CC(C)(C)CC(=O)Nc1ccc(CC(=O)N=c2cc3ccccn3[n-]2)cc1 ZINC000561148393 505263303 /nfs/dbraw/zinc/26/33/03/505263303.db2.gz JDDCJUIGZGNFEO-UHFFFAOYSA-N -1 3 364.449 3.312 20 0 FGADHM Cc1c(C(=O)N=c2cc3ccccn3[n-]2)cnn1-c1ccc(Cl)cc1 ZINC000561148158 505263536 /nfs/dbraw/zinc/26/35/36/505263536.db2.gz NLFSHXZQDFKPTO-UHFFFAOYSA-N -1 3 351.797 3.156 20 0 FGADHM O=C(NC[C@]1(CO)C[C@H]1c1ccccc1)c1cc([O-])ccc1C(F)(F)F ZINC000566769654 505266906 /nfs/dbraw/zinc/26/69/06/505266906.db2.gz MEZVXVKXBIUARS-WMZOPIPTSA-N -1 3 365.351 3.307 20 0 FGADHM 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368.433 3.220 20 0 FGADHM O=C(NCC1(c2cccs2)CCCCC1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000606931771 507560564 /nfs/dbraw/zinc/56/05/64/507560564.db2.gz FXQBPOBCKOHEMG-UHFFFAOYSA-N -1 3 368.458 3.264 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)c3ccc(OC)cc3Cl)[n-]c21 ZINC000611213949 507565175 /nfs/dbraw/zinc/56/51/75/507565175.db2.gz RXPGCASTSKQPIZ-UHFFFAOYSA-N -1 3 359.769 3.264 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccc(OC)cc3Cl)nc21 ZINC000611213949 507565179 /nfs/dbraw/zinc/56/51/79/507565179.db2.gz RXPGCASTSKQPIZ-UHFFFAOYSA-N -1 3 359.769 3.264 20 0 FGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2cccnc2N(C)C)c1Cl ZINC000614606735 507584610 /nfs/dbraw/zinc/58/46/10/507584610.db2.gz UGPXLLKXYJQYPO-UHFFFAOYSA-N -1 3 374.293 3.241 20 0 FGADHM CCOC(=O)c1cc([N-]S(=O)(=O)c2cccc(OC)c2)c(F)cc1C ZINC000585730961 507607716 /nfs/dbraw/zinc/60/77/16/507607716.db2.gz VNLUSXSAXMLYQG-UHFFFAOYSA-N -1 3 367.398 3.120 20 0 FGADHM CCc1cccc(C(=O)N(CCn2ccnc2)C2CCSCC2)c1[O-] ZINC000614671389 507612717 /nfs/dbraw/zinc/61/27/17/507612717.db2.gz GOEASAUUSJPWTL-UHFFFAOYSA-N -1 3 359.495 3.189 20 0 FGADHM O=S(=O)(Cc1cc(-c2ccccc2)no1)[N-][C@H]1CCCc2occc21 ZINC000585774771 507623861 /nfs/dbraw/zinc/62/38/61/507623861.db2.gz NSHYRZYQEFBVFV-INIZCTEOSA-N -1 3 358.419 3.432 20 0 FGADHM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cc2c(cc1F)CCC(=O)N2 ZINC000614788830 507653714 /nfs/dbraw/zinc/65/37/14/507653714.db2.gz RISHCSFJEUTDMJ-UHFFFAOYSA-N -1 3 368.817 3.473 20 0 FGADHM COc1ccc(COCC(=O)N=c2cc(-c3cc(C)cc(C)c3)[n-][nH]2)cc1 ZINC000586758940 507661958 /nfs/dbraw/zinc/66/19/58/507661958.db2.gz RNGTUDSFRRUVDX-UHFFFAOYSA-N -1 3 365.433 3.279 20 0 FGADHM C[C@@H](NC(=O)[C@@]1(C)C[C@@H]1c1ccccc1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000614817066 507663747 /nfs/dbraw/zinc/66/37/47/507663747.db2.gz KKCJQFMHKVBTRM-DKFLWKDZSA-N -1 3 367.449 3.060 20 0 FGADHM Cc1ccc(/C=C/CC(=O)N[C@H](C)[C@@H](C)C(=O)Nc2ncccc2[O-])cc1 ZINC000614822981 507666003 /nfs/dbraw/zinc/66/60/03/507666003.db2.gz ADBFIGKBYFPWNV-RKIWFNSJSA-N -1 3 367.449 3.278 20 0 FGADHM O=C(Nc1cc(Cl)c([O-])cc1F)C(C[C@H]1COCCO1)C(F)(F)F ZINC000614829095 507667287 /nfs/dbraw/zinc/66/72/87/507667287.db2.gz QYDVRDMKODNABI-JGVFFNPUSA-N -1 3 371.714 3.107 20 0 FGADHM C[C@@H](NC(=O)c1ccc2c(c1)CCC=C2)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000614826688 507667798 /nfs/dbraw/zinc/66/77/98/507667798.db2.gz NGFKFHVZVHUJSG-UONOGXRCSA-N -1 3 365.433 3.140 20 0 FGADHM CCc1cc(C[N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)on1 ZINC000607362195 507702486 /nfs/dbraw/zinc/70/24/86/507702486.db2.gz AAPWCHDUEHZWRA-UHFFFAOYSA-N -1 3 368.764 3.388 20 0 FGADHM O=C([N-]c1nnc2[nH]cnn12)C1(Cc2cccc(Cl)c2)CCCCC1 ZINC000614994105 507716691 /nfs/dbraw/zinc/71/66/91/507716691.db2.gz NMCSSTWPIAXVEC-UHFFFAOYSA-N -1 3 358.833 3.238 20 0 FGADHM Cc1ccc(C(=O)Nc2cc(I)ccc2[O-])cc1O ZINC000611529055 507724878 /nfs/dbraw/zinc/72/48/78/507724878.db2.gz SWAPSBKRAFZTOM-UHFFFAOYSA-N -1 3 369.158 3.263 20 0 FGADHM O=C([N-]c1nccn1Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1 ZINC000588089541 507757720 /nfs/dbraw/zinc/75/77/20/507757720.db2.gz HRGNAXCWLQZURF-UHFFFAOYSA-N -1 3 354.797 3.162 20 0 FGADHM O=C(Nc1nnc(-c2ccc3ccccc3n2)[n-]1)[C@@H]1CCCCCC(=O)C1 ZINC000615118500 507758806 /nfs/dbraw/zinc/75/88/06/507758806.db2.gz BABADUUVLNGIEA-CQSZACIVSA-N -1 3 363.421 3.498 20 0 FGADHM O=C(Nc1nc(-c2ccc3ccccc3n2)n[n-]1)[C@@H]1CCCCCC(=O)C1 ZINC000615118500 507758813 /nfs/dbraw/zinc/75/88/13/507758813.db2.gz BABADUUVLNGIEA-CQSZACIVSA-N -1 3 363.421 3.498 20 0 FGADHM O=C(Nc1n[n-]c(-c2ccc3ccccc3n2)n1)[C@@H]1CCCCCC(=O)C1 ZINC000615118500 507758821 /nfs/dbraw/zinc/75/88/21/507758821.db2.gz BABADUUVLNGIEA-CQSZACIVSA-N -1 3 363.421 3.498 20 0 FGADHM COC(=O)c1cc(Cl)cc(NC(=O)c2ccc(F)c(OC)c2)c1[O-] ZINC000588095880 507759440 /nfs/dbraw/zinc/75/94/40/507759440.db2.gz LEVGGDFXJCUICW-UHFFFAOYSA-N -1 3 353.733 3.232 20 0 FGADHM COC(=O)c1cc(Cl)cc(NC(=O)[C@H](C)OCc2ccccc2)c1[O-] ZINC000588095573 507759623 /nfs/dbraw/zinc/75/96/23/507759623.db2.gz XFJVZUYAILNNSD-NSHDSACASA-N -1 3 363.797 3.376 20 0 FGADHM COC(=O)c1cc(Cl)cc(NC(=O)c2scnc2C2CC2)c1[O-] ZINC000588099182 507760997 /nfs/dbraw/zinc/76/09/97/507760997.db2.gz KBSCAEUZVGRTFZ-UHFFFAOYSA-N -1 3 352.799 3.418 20 0 FGADHM Cc1nc(C(C)C)oc1CNC(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000615154795 507769506 /nfs/dbraw/zinc/76/95/06/507769506.db2.gz UJTIPYPXASXYIM-UHFFFAOYSA-N -1 3 357.385 3.325 20 0 FGADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000607650517 507784249 /nfs/dbraw/zinc/78/42/49/507784249.db2.gz JOQZSRUUMXTMDR-RTBURBONSA-N -1 3 370.493 3.329 20 0 FGADHM CCCc1n[n-]c(=NC(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)s1 ZINC000471116461 514759721 /nfs/dbraw/zinc/75/97/21/514759721.db2.gz NKCGRRZIPZJQRK-HNNXBMFYSA-N -1 3 359.499 3.134 20 0 FGADHM CC(=C([O-])Nc1ccn(-c2ncccc2C(F)(F)F)n1)C(F)(F)F ZINC000489276898 514779495 /nfs/dbraw/zinc/77/94/95/514779495.db2.gz KMAMPTSPHKKZMT-ZETCQYMHSA-N -1 3 352.238 3.423 20 0 FGADHM COC(=O)c1cc(C(=O)Nc2cc(C)n(-c3cccc(Cl)c3)n2)c[n-]1 ZINC000498169014 514789403 /nfs/dbraw/zinc/78/94/03/514789403.db2.gz SAPYRKLPPWVDGB-UHFFFAOYSA-N -1 3 358.785 3.201 20 0 FGADHM C[C@H]1CCN(C(=O)c2csc(=NC3CC3)[n-]2)CCN1Cc1ccccc1 ZINC000476545089 515095249 /nfs/dbraw/zinc/09/52/49/515095249.db2.gz UKZYMHBKHYHXFJ-HNNXBMFYSA-N -1 3 370.522 3.454 20 0 FGADHM COc1ccc(C(=O)CCCC(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)cc1 ZINC000509427386 515172316 /nfs/dbraw/zinc/17/23/16/515172316.db2.gz VETYOBGTIDMQAY-QGZVFWFLSA-N -1 3 357.410 3.262 20 0 FGADHM Cc1ccc(Br)cc1C(=O)N=c1cc(OC(F)F)n(C)[n-]1 ZINC000490943651 515339581 /nfs/dbraw/zinc/33/95/81/515339581.db2.gz ODTCQDQGVAANQV-UHFFFAOYSA-N -1 3 360.158 3.345 20 0 FGADHM CCN(C(=O)N=c1ccc(OC)n[n-]1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000499654441 515399473 /nfs/dbraw/zinc/39/94/73/515399473.db2.gz PUXFYJAIMCJPFF-WBVHZDCISA-N -1 3 369.469 3.175 20 0 FGADHM Cc1ccccc1[C@@H]([C@H](C)NC(=O)N=c1ccc(OC(C)C)n[n-]1)N(C)C ZINC000482358864 515660215 /nfs/dbraw/zinc/66/02/15/515660215.db2.gz FCAOPDRKBMULKS-HNAYVOBHSA-N -1 3 371.485 3.385 20 0 FGADHM O=C(Cc1ccc(OC(F)(F)F)cc1)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000473851084 515775355 /nfs/dbraw/zinc/77/53/55/515775355.db2.gz PXXVNUYKKJDBES-CYBMUJFWSA-N -1 3 355.316 3.341 20 0 FGADHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1ccc(-c2ccccc2)[nH]c1=O ZINC000473860079 515781850 /nfs/dbraw/zinc/78/18/50/515781850.db2.gz XAJFBPDBFQCHBI-INIZCTEOSA-N -1 3 350.378 3.281 20 0 FGADHM COCc1ccccc1C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000511370166 515879973 /nfs/dbraw/zinc/87/99/73/515879973.db2.gz GDEHBRABWGOZCT-UHFFFAOYSA-N -1 3 360.211 3.496 20 0 FGADHM CCN=c1[n-]c(C(=O)N[C@H]2CCN(c3ccc(F)c(Cl)c3)C2)cs1 ZINC000483168322 515966011 /nfs/dbraw/zinc/96/60/11/515966011.db2.gz SHEFNFSSFFHVCC-JTQLQIEISA-N -1 3 368.865 3.376 20 0 FGADHM Cc1ccccc1-c1cc(=NC(=O)CCc2nc3ccccc3oc2=O)[nH][n-]1 ZINC000512331033 516242193 /nfs/dbraw/zinc/24/21/93/516242193.db2.gz MLFOFKDBDFTFNN-UHFFFAOYSA-N -1 3 374.400 3.458 20 0 FGADHM Cc1cc(C)cc(-c2cc(=NC(=O)CNC(=O)c3cccc(F)c3)[nH][n-]2)c1 ZINC000512549841 516303335 /nfs/dbraw/zinc/30/33/35/516303335.db2.gz AGCSWMISGADKJW-UHFFFAOYSA-N -1 3 366.396 3.201 20 0 FGADHM O=C(C[C@H]1CCC(=O)NC1)N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1 ZINC000517696569 516413914 /nfs/dbraw/zinc/41/39/14/516413914.db2.gz FSAORQUKEWYGPS-SECBINFHSA-N -1 3 367.236 3.238 20 0 FGADHM CCCCC(=O)N1CSC[C@@H]1C(=O)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000524420052 516715472 /nfs/dbraw/zinc/71/54/72/516715472.db2.gz NXDQZZSENVDOOT-OAHLLOKOSA-N -1 3 358.467 3.107 20 0 FGADHM CCOC(=O)c1coc(=NC[C@@H](c2ccc(OC)cc2)N2CCCCC2)[n-]1 ZINC000544353640 516721322 /nfs/dbraw/zinc/72/13/22/516721322.db2.gz KFHNMVXTUADQFR-SFHVURJKSA-N -1 3 373.453 3.499 20 0 FGADHM O=C(CCC(=O)c1ccccn1)N=c1cc2ccc(Br)cn2[n-]1 ZINC000513752382 516739958 /nfs/dbraw/zinc/73/99/58/516739958.db2.gz RXSGAZURGDPOPD-UHFFFAOYSA-N -1 3 373.210 3.093 20 0 FGADHM CC(C)C(=O)Nc1nc(CC(=O)N=c2cc(-c3ccccc3)[n-][nH]2)cs1 ZINC000519067336 516874355 /nfs/dbraw/zinc/87/43/55/516874355.db2.gz XKOFFSCWHBIZIS-UHFFFAOYSA-N -1 3 369.450 3.309 20 0 FGADHM CC(=O)Nc1ccc(S[C@H](C)C(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)cc1 ZINC000525966893 517261789 /nfs/dbraw/zinc/26/17/89/517261789.db2.gz BPXJVTSXPQWJHM-BDJLRTHQSA-N -1 3 374.466 3.339 20 0 FGADHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)[C@@H]1CCCCN1Cc1ccc(F)cc1 ZINC000525966617 517261893 /nfs/dbraw/zinc/26/18/93/517261893.db2.gz KQWSYHMAONUXSY-ROUUACIJSA-N -1 3 372.444 3.394 20 0 FGADHM CCOC(=O)c1cc(NC(=O)c2ccccc2CCC(F)(F)F)n[n-]1 ZINC000541905014 517285785 /nfs/dbraw/zinc/28/57/85/517285785.db2.gz MBWUVKBAFJLEJK-UHFFFAOYSA-N -1 3 355.316 3.334 20 0 FGADHM CCOC(=O)c1cc(NC(=O)c2ccccc2CCC(F)(F)F)[n-]n1 ZINC000541905014 517285793 /nfs/dbraw/zinc/28/57/93/517285793.db2.gz MBWUVKBAFJLEJK-UHFFFAOYSA-N -1 3 355.316 3.334 20 0 FGADHM CCOC(=O)c1cc(NC(=O)c2csc(-c3ccc(C)cc3)n2)n[n-]1 ZINC000541904417 517286670 /nfs/dbraw/zinc/28/66/70/517286670.db2.gz ODJPVMDFRQGOBX-UHFFFAOYSA-N -1 3 356.407 3.271 20 0 FGADHM CCOC(=O)c1cc(NC(=O)c2csc(-c3ccc(C)cc3)n2)[n-]n1 ZINC000541904417 517286681 /nfs/dbraw/zinc/28/66/81/517286681.db2.gz ODJPVMDFRQGOBX-UHFFFAOYSA-N -1 3 356.407 3.271 20 0 FGADHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1cc(F)cc(Br)c1 ZINC000526960298 517411290 /nfs/dbraw/zinc/41/12/90/517411290.db2.gz WLYYFWDLDQMDGT-LBPRGKRZSA-N -1 3 354.179 3.415 20 0 FGADHM CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)N=c1cc(-c2ccccc2C)[n-][nH]1 ZINC000538220739 517510483 /nfs/dbraw/zinc/51/04/83/517510483.db2.gz SPPKZXBYLABMJF-BLLLJJGKSA-N -1 3 372.494 3.271 20 0 FGADHM COc1nc(NC[C@H]2CCCN(C)[C@@H]2c2cccs2)ccc1C(=O)[O-] ZINC000521050442 517592857 /nfs/dbraw/zinc/59/28/57/517592857.db2.gz OPPZAIUBPRYVHK-WBMJQRKESA-N -1 3 361.467 3.345 20 0 FGADHM Cc1cc(C(=O)N=c2[nH][n-]c(C)c2-c2ccccc2)nn1C1CCOCC1 ZINC000530262450 517664555 /nfs/dbraw/zinc/66/45/55/517664555.db2.gz QXAIOHVVULTHQY-UHFFFAOYSA-N -1 3 365.437 3.494 20 0 FGADHM C[C@H](Oc1ccc(F)cc1Cl)C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000527499920 517712315 /nfs/dbraw/zinc/71/23/15/517712315.db2.gz IQACBZGLAXUDHK-LKFCYVNXSA-N -1 3 353.781 3.460 20 0 FGADHM CCc1[n-][nH]c(=NC(=O)[C@H]2Cc3ccccc3CN2C(=O)[C@H](C)CC)c1C ZINC000521898121 517890917 /nfs/dbraw/zinc/89/09/17/517890917.db2.gz RNLUDRVGGPYMPH-FZKQIMNGSA-N -1 3 368.481 3.219 20 0 FGADHM CC(=O)N1CCC[C@@H](C(=O)N=c2[nH][n-]c(C)c2-c2cccc(Cl)c2)C1 ZINC000608469209 519992853 /nfs/dbraw/zinc/99/28/53/519992853.db2.gz DLZYFEVUXKXNDP-CQSZACIVSA-N -1 3 360.845 3.236 20 0 FGADHM COc1ccc(SC)c(OC)c1C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000616825619 520165376 /nfs/dbraw/zinc/16/53/76/520165376.db2.gz ZVEYEAFAFMEMCR-NSHDSACASA-N -1 3 363.439 3.253 20 0 FGADHM COCCCn1cc(C(=O)N=c2[nH][n-]c(C)c2-c2ccc(C)cc2)cn1 ZINC000630021840 522586199 /nfs/dbraw/zinc/58/61/99/522586199.db2.gz UNHJPUQBFACQJZ-UHFFFAOYSA-N -1 3 353.426 3.179 20 0 FGADHM CC(C)(C)C[C@@H](O)CNC(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482161130 561249296 /nfs/dbraw/zinc/24/92/96/561249296.db2.gz VUPQMKDJZXFGOO-GFCCVEGCSA-N -1 3 369.263 3.015 20 0 FGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)[C@@H](O)CCc1ccccc1 ZINC000513746953 561948480 /nfs/dbraw/zinc/94/84/80/561948480.db2.gz GWULODRWEXJCHD-HNNXBMFYSA-N -1 3 374.238 3.029 20 0 FGADHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)C(=O)Nc1csc2ccccc12 ZINC000472980469 561039427 /nfs/dbraw/zinc/03/94/27/561039427.db2.gz VZZFBRMLRRNONE-ZDUSSCGKSA-N -1 3 356.407 3.053 20 0 FGADHM O=C(Nc1n[nH]c2cc(F)ccc21)c1c[n-]nc1-c1ccc2c(c1)OCO2 ZINC000476778804 561128233 /nfs/dbraw/zinc/12/82/33/561128233.db2.gz XWCLEQLVSYGIOB-UHFFFAOYSA-N -1 3 365.324 3.073 20 0 FGADHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1nc(C(F)(F)F)n2c1CCCC2 ZINC000529516566 562376182 /nfs/dbraw/zinc/37/61/82/562376182.db2.gz FUJNDEQENZCGDL-NSHDSACASA-N -1 3 369.347 3.065 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)c2nn3c(c2C)OCCC3)c1-c1ccc(F)cc1 ZINC000530277540 562405095 /nfs/dbraw/zinc/40/50/95/562405095.db2.gz SYNWUJBAIDZYQN-UHFFFAOYSA-N -1 3 355.373 3.064 20 0 FGADHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1Cc1ccc(Cl)s1 ZINC000737523908 598826642 /nfs/dbraw/zinc/82/66/42/598826642.db2.gz LAPZEDATGRHXDC-UHFFFAOYSA-N -1 3 357.830 3.197 20 0 FGADHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1Cc1ccc(Cl)s1 ZINC000737523908 598826643 /nfs/dbraw/zinc/82/66/43/598826643.db2.gz LAPZEDATGRHXDC-UHFFFAOYSA-N -1 3 357.830 3.197 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N1CCc2c(Cl)cccc2C1 ZINC000737797489 598834214 /nfs/dbraw/zinc/83/42/14/598834214.db2.gz IXEWNMBFBWJVMZ-CMDGGOBGSA-N -1 3 365.824 3.118 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N1CCc2c(Cl)cccc2C1 ZINC000737797489 598834215 /nfs/dbraw/zinc/83/42/15/598834215.db2.gz IXEWNMBFBWJVMZ-CMDGGOBGSA-N -1 3 365.824 3.118 20 0 FGADHM C[C@@H](OC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)c1cccnc1 ZINC000736149364 598844342 /nfs/dbraw/zinc/84/43/42/598844342.db2.gz JRIZTFZIDFLPGY-CQSZACIVSA-N -1 3 367.409 3.115 20 0 FGADHM C[C@@H](OC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)c1cccnc1 ZINC000736149364 598844344 /nfs/dbraw/zinc/84/43/44/598844344.db2.gz JRIZTFZIDFLPGY-CQSZACIVSA-N -1 3 367.409 3.115 20 0 FGADHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)c1cccc(Cl)c1 ZINC000736037313 598882602 /nfs/dbraw/zinc/88/26/02/598882602.db2.gz FJNFBPBOKWRNDW-LLVKDONJSA-N -1 3 358.785 3.144 20 0 FGADHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)c1cccc(Cl)c1 ZINC000736037313 598882605 /nfs/dbraw/zinc/88/26/05/598882605.db2.gz FJNFBPBOKWRNDW-LLVKDONJSA-N -1 3 358.785 3.144 20 0 FGADHM COC(=O)[C@@H](N[C@H](C)c1cc(C)cc(C)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736895479 598884481 /nfs/dbraw/zinc/88/44/81/598884481.db2.gz JYLGPQXSNNHGSP-KDOFPFPSSA-N -1 3 365.437 3.048 20 0 FGADHM COC(=O)[C@@H](N[C@H](C)c1cc(C)cc(C)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736895479 598884483 /nfs/dbraw/zinc/88/44/83/598884483.db2.gz JYLGPQXSNNHGSP-KDOFPFPSSA-N -1 3 365.437 3.048 20 0 FGADHM C[C@@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)c1sccc1C1CC1 ZINC000736039310 598889607 /nfs/dbraw/zinc/88/96/07/598889607.db2.gz IJRNCNMDLDSKEG-NSHDSACASA-N -1 3 370.434 3.430 20 0 FGADHM C[C@@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)c1sccc1C1CC1 ZINC000736039310 598889610 /nfs/dbraw/zinc/88/96/10/598889610.db2.gz IJRNCNMDLDSKEG-NSHDSACASA-N -1 3 370.434 3.430 20 0 FGADHM CC(C)(C)/C=C/C(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000735594885 598902613 /nfs/dbraw/zinc/90/26/13/598902613.db2.gz XFHLUVBDTUZSIV-CMDGGOBGSA-N -1 3 368.466 3.455 20 0 FGADHM CC(C)(C)/C=C/C(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000735594885 598902614 /nfs/dbraw/zinc/90/26/14/598902614.db2.gz XFHLUVBDTUZSIV-CMDGGOBGSA-N -1 3 368.466 3.455 20 0 FGADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCCCC2)c1ccc(F)nc1 ZINC000738209116 598905363 /nfs/dbraw/zinc/90/53/63/598905363.db2.gz MELSRWLQMUMGJG-UHFFFAOYSA-N -1 3 372.429 3.374 20 0 FGADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCCCC2)c1ccc(F)nc1 ZINC000738209116 598905365 /nfs/dbraw/zinc/90/53/65/598905365.db2.gz MELSRWLQMUMGJG-UHFFFAOYSA-N -1 3 372.429 3.374 20 0 FGADHM CC(C)(CNC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1cccs1 ZINC000735666070 598906876 /nfs/dbraw/zinc/90/68/76/598906876.db2.gz MCQOOHDXQYMPHE-KTKRTIGZSA-N -1 3 353.451 3.035 20 0 FGADHM CC(C)(CNC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1cccs1 ZINC000735666070 598906878 /nfs/dbraw/zinc/90/68/78/598906878.db2.gz MCQOOHDXQYMPHE-KTKRTIGZSA-N -1 3 353.451 3.035 20 0 FGADHM C[C@H]1CCCC[C@@H]1CCNC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736264385 598907393 /nfs/dbraw/zinc/90/73/93/598907393.db2.gz VVFSAQZYYTWUNB-UONOGXRCSA-N -1 3 359.499 3.291 20 0 FGADHM C[C@H]1CCCC[C@@H]1CCNC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736264385 598907395 /nfs/dbraw/zinc/90/73/95/598907395.db2.gz VVFSAQZYYTWUNB-UONOGXRCSA-N -1 3 359.499 3.291 20 0 FGADHM CC(C)(C)OC(=O)N1CC[C@@H](CSc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000735627695 598912062 /nfs/dbraw/zinc/91/20/62/598912062.db2.gz ONCHAQUFZIUQFA-GFCCVEGCSA-N -1 3 361.471 3.216 20 0 FGADHM CC(C)(C)OC(=O)N1CC[C@@H](CSc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000735627695 598912065 /nfs/dbraw/zinc/91/20/65/598912065.db2.gz ONCHAQUFZIUQFA-GFCCVEGCSA-N -1 3 361.471 3.216 20 0 FGADHM C[C@@H]1CCCC[C@H]1CCNC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736261632 598921756 /nfs/dbraw/zinc/92/17/56/598921756.db2.gz LDGBPWKFECBBTF-ZBFHGGJFSA-N -1 3 356.474 3.225 20 0 FGADHM C[C@@H]1CCCC[C@H]1CCNC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736261632 598921757 /nfs/dbraw/zinc/92/17/57/598921757.db2.gz LDGBPWKFECBBTF-ZBFHGGJFSA-N -1 3 356.474 3.225 20 0 FGADHM CC[C@H](C)N(C)C(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000736322065 598925575 /nfs/dbraw/zinc/92/55/75/598925575.db2.gz HROFDHATJUIVOM-AWEZNQCLSA-N -1 3 365.437 3.316 20 0 FGADHM CC[C@H](C)N(C)C(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000736322065 598925577 /nfs/dbraw/zinc/92/55/77/598925577.db2.gz HROFDHATJUIVOM-AWEZNQCLSA-N -1 3 365.437 3.316 20 0 FGADHM CCCN(CC)C(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000736471954 598926633 /nfs/dbraw/zinc/92/66/33/598926633.db2.gz QLLPKMPUUCTOJB-UHFFFAOYSA-N -1 3 365.437 3.318 20 0 FGADHM CCCN(CC)C(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000736471954 598926634 /nfs/dbraw/zinc/92/66/34/598926634.db2.gz QLLPKMPUUCTOJB-UHFFFAOYSA-N -1 3 365.437 3.318 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OCCOc1ccc(F)c(Cl)c1 ZINC000737032185 598937933 /nfs/dbraw/zinc/93/79/33/598937933.db2.gz JBGMKDZEPPKIQB-UHFFFAOYSA-N -1 3 364.764 3.126 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OCCOc1ccc(F)c(Cl)c1 ZINC000737032185 598937934 /nfs/dbraw/zinc/93/79/34/598937934.db2.gz JBGMKDZEPPKIQB-UHFFFAOYSA-N -1 3 364.764 3.126 20 0 FGADHM COc1ccccc1CSCCOc1ccc(-c2nnn[n-]2)cc1OC ZINC000737153444 598939902 /nfs/dbraw/zinc/93/99/02/598939902.db2.gz RMGMBCYCJVQABK-UHFFFAOYSA-N -1 3 372.450 3.196 20 0 FGADHM COc1ccccc1CSCCOc1ccc(-c2nn[n-]n2)cc1OC ZINC000737153444 598939904 /nfs/dbraw/zinc/93/99/04/598939904.db2.gz RMGMBCYCJVQABK-UHFFFAOYSA-N -1 3 372.450 3.196 20 0 FGADHM O=C(N[C@@H]1C[C@H]1c1c(F)cccc1Cl)c1sccc1-c1nnn[n-]1 ZINC000738018916 598941884 /nfs/dbraw/zinc/94/18/84/598941884.db2.gz FKGVLUNOQIUKMT-LDYMZIIASA-N -1 3 363.805 3.007 20 0 FGADHM O=C(N[C@@H]1C[C@H]1c1c(F)cccc1Cl)c1sccc1-c1nn[n-]n1 ZINC000738018916 598941886 /nfs/dbraw/zinc/94/18/86/598941886.db2.gz FKGVLUNOQIUKMT-LDYMZIIASA-N -1 3 363.805 3.007 20 0 FGADHM CCc1ccc(CCOC(=O)CCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736682731 598974608 /nfs/dbraw/zinc/97/46/08/598974608.db2.gz LMRVNYUKIXNJAE-UHFFFAOYSA-N -1 3 350.422 3.148 20 0 FGADHM CCc1ccc(CCOC(=O)CCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736682731 598974610 /nfs/dbraw/zinc/97/46/10/598974610.db2.gz LMRVNYUKIXNJAE-UHFFFAOYSA-N -1 3 350.422 3.148 20 0 FGADHM CC(C)CC[C@@](C)(O)CNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000735797487 598974845 /nfs/dbraw/zinc/97/48/45/598974845.db2.gz PXWMGYCJZFUOAY-OAHLLOKOSA-N -1 3 357.380 3.485 20 0 FGADHM CC(C)CC[C@@](C)(O)CNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000735797487 598974847 /nfs/dbraw/zinc/97/48/47/598974847.db2.gz PXWMGYCJZFUOAY-OAHLLOKOSA-N -1 3 357.380 3.485 20 0 FGADHM CCCCCNC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736450447 598977733 /nfs/dbraw/zinc/97/77/33/598977733.db2.gz COOXFAHMXHIEBA-UHFFFAOYSA-N -1 3 365.437 3.366 20 0 FGADHM Cc1cc(NC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)nnc1C ZINC000737274585 599008231 /nfs/dbraw/zinc/00/82/31/599008231.db2.gz OMRLIIMPTADCAB-UHFFFAOYSA-N -1 3 371.404 3.193 20 0 FGADHM Cc1cc(NC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)nnc1C ZINC000737274585 599008234 /nfs/dbraw/zinc/00/82/34/599008234.db2.gz OMRLIIMPTADCAB-UHFFFAOYSA-N -1 3 371.404 3.193 20 0 FGADHM O=C(CSCCC(F)(F)F)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000737931192 599010085 /nfs/dbraw/zinc/01/00/85/599010085.db2.gz FWTWHWMKOLDZPC-UHFFFAOYSA-N -1 3 365.768 3.144 20 0 FGADHM O=C(CSCCC(F)(F)F)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000737931192 599010086 /nfs/dbraw/zinc/01/00/86/599010086.db2.gz FWTWHWMKOLDZPC-UHFFFAOYSA-N -1 3 365.768 3.144 20 0 FGADHM CC[C@H](NC(=O)NCc1cccc(-c2nnn[n-]2)c1)c1cc(F)ccc1F ZINC000736364137 599012410 /nfs/dbraw/zinc/01/24/10/599012410.db2.gz ROOKNUGEULGHBK-INIZCTEOSA-N -1 3 372.379 3.095 20 0 FGADHM CC[C@H](NC(=O)NCc1cccc(-c2nn[n-]n2)c1)c1cc(F)ccc1F ZINC000736364137 599012411 /nfs/dbraw/zinc/01/24/11/599012411.db2.gz ROOKNUGEULGHBK-INIZCTEOSA-N -1 3 372.379 3.095 20 0 FGADHM O=C(O[C@H]1CCSC1)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738218019 599027206 /nfs/dbraw/zinc/02/72/06/599027206.db2.gz DBSPYBBYMVTBKJ-INIZCTEOSA-N -1 3 367.434 3.273 20 0 FGADHM CCCOCCOC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736486985 599027770 /nfs/dbraw/zinc/02/77/70/599027770.db2.gz CHCQMHNBXYRAFL-UHFFFAOYSA-N -1 3 367.409 3.194 20 0 FGADHM C[C@H](CCCOCc1ccccc1)OC(=O)c1sccc1-c1nnn[n-]1 ZINC000735985997 599027810 /nfs/dbraw/zinc/02/78/10/599027810.db2.gz OZMWSQMKSVWRQR-CYBMUJFWSA-N -1 3 372.450 3.471 20 0 FGADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(NCCCNc2ccccc2)n1 ZINC000737635705 599052310 /nfs/dbraw/zinc/05/23/10/599052310.db2.gz NHVUCCWALNDDBH-UHFFFAOYSA-N -1 3 363.347 3.195 20 0 FGADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(NCCCNc2ccccc2)n1 ZINC000737635705 599052313 /nfs/dbraw/zinc/05/23/13/599052313.db2.gz NHVUCCWALNDDBH-UHFFFAOYSA-N -1 3 363.347 3.195 20 0 FGADHM Cc1nc(Sc2ccc(-c3nnn[n-]3)cc2F)cc(-c2cccnc2)n1 ZINC000822453503 599058020 /nfs/dbraw/zinc/05/80/20/599058020.db2.gz KGELKCCARQEWTC-UHFFFAOYSA-N -1 3 365.397 3.317 20 0 FGADHM Cc1nc(Sc2ccc(-c3nn[n-]n3)cc2F)cc(-c2cccnc2)n1 ZINC000822453503 599058022 /nfs/dbraw/zinc/05/80/22/599058022.db2.gz KGELKCCARQEWTC-UHFFFAOYSA-N -1 3 365.397 3.317 20 0 FGADHM CN(c1ncc(-c2nnn[n-]2)cc1Cl)[C@H]1CCCN(c2ccccc2)C1 ZINC000736844153 599060030 /nfs/dbraw/zinc/06/00/30/599060030.db2.gz SGXHNRBEODUHFR-HNNXBMFYSA-N -1 3 369.860 3.020 20 0 FGADHM CN(c1ncc(-c2nn[n-]n2)cc1Cl)[C@H]1CCCN(c2ccccc2)C1 ZINC000736844153 599060033 /nfs/dbraw/zinc/06/00/33/599060033.db2.gz SGXHNRBEODUHFR-HNNXBMFYSA-N -1 3 369.860 3.020 20 0 FGADHM Cc1ccc(C[C@@H](Nc2ncccc2-c2nnn[n-]2)c2ccccn2)cc1 ZINC000737334894 599063958 /nfs/dbraw/zinc/06/39/58/599063958.db2.gz OGGXPVMYUQQAAZ-GOSISDBHSA-N -1 3 357.421 3.361 20 0 FGADHM Cc1ccc(C[C@@H](Nc2ncccc2-c2nn[n-]n2)c2ccccn2)cc1 ZINC000737334894 599063961 /nfs/dbraw/zinc/06/39/61/599063961.db2.gz OGGXPVMYUQQAAZ-GOSISDBHSA-N -1 3 357.421 3.361 20 0 FGADHM CC(C)CN(CC(C)C)C(=O)CSc1ccc(-c2nnn[n-]2)cc1F ZINC000735827179 599067323 /nfs/dbraw/zinc/06/73/23/599067323.db2.gz IBTLIMBNSQHVMS-UHFFFAOYSA-N -1 3 365.478 3.239 20 0 FGADHM CC(C)CN(CC(C)C)C(=O)CSc1ccc(-c2nn[n-]n2)cc1F ZINC000735827179 599067325 /nfs/dbraw/zinc/06/73/25/599067325.db2.gz IBTLIMBNSQHVMS-UHFFFAOYSA-N -1 3 365.478 3.239 20 0 FGADHM COc1ccccc1O[C@H](C)CNc1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821904751 599077113 /nfs/dbraw/zinc/07/71/13/599077113.db2.gz ZCUHQTGWJSRSJU-SNVBAGLBSA-N -1 3 361.352 3.033 20 0 FGADHM COc1ccccc1O[C@H](C)CNc1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821904751 599077117 /nfs/dbraw/zinc/07/71/17/599077117.db2.gz ZCUHQTGWJSRSJU-SNVBAGLBSA-N -1 3 361.352 3.033 20 0 FGADHM CCc1nc(C)c([C@@H](C)N(C)C(=O)c2cccc(-c3nnn[n-]3)c2)s1 ZINC000736701002 599078234 /nfs/dbraw/zinc/07/82/34/599078234.db2.gz XXHWOWGBSCYTAY-LLVKDONJSA-N -1 3 356.455 3.027 20 0 FGADHM CCc1nc(C)c([C@@H](C)N(C)C(=O)c2cccc(-c3nn[n-]n3)c2)s1 ZINC000736701002 599078237 /nfs/dbraw/zinc/07/82/37/599078237.db2.gz XXHWOWGBSCYTAY-LLVKDONJSA-N -1 3 356.455 3.027 20 0 FGADHM CCc1cnc(CCNc2cc(-c3nnn[n-]3)c3ccccc3n2)s1 ZINC000821496183 599083676 /nfs/dbraw/zinc/08/36/76/599083676.db2.gz FACCIPRCMPWCII-UHFFFAOYSA-N -1 3 351.439 3.088 20 0 FGADHM CCc1cnc(CCNc2cc(-c3nn[n-]n3)c3ccccc3n2)s1 ZINC000821496183 599083678 /nfs/dbraw/zinc/08/36/78/599083678.db2.gz FACCIPRCMPWCII-UHFFFAOYSA-N -1 3 351.439 3.088 20 0 FGADHM CC1(C)CCC(NC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736209659 599083892 /nfs/dbraw/zinc/08/38/92/599083892.db2.gz CUMFNLGZRNYZRD-UHFFFAOYSA-N -1 3 359.499 3.185 20 0 FGADHM CC1(C)CCC(NC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736209659 599083895 /nfs/dbraw/zinc/08/38/95/599083895.db2.gz CUMFNLGZRNYZRD-UHFFFAOYSA-N -1 3 359.499 3.185 20 0 FGADHM CN(CCc1cccs1)c1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21 ZINC000821607665 599087884 /nfs/dbraw/zinc/08/78/84/599087884.db2.gz YNCMUSZBWLJXKO-UHFFFAOYSA-N -1 3 372.404 3.434 20 0 FGADHM CN(CCc1cccs1)c1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21 ZINC000821607665 599087887 /nfs/dbraw/zinc/08/78/87/599087887.db2.gz YNCMUSZBWLJXKO-UHFFFAOYSA-N -1 3 372.404 3.434 20 0 FGADHM CC[C@@](C)(NC(=O)CCc1ccc(-c2nnn[n-]2)cc1)c1nc(C)cs1 ZINC000736316701 599088685 /nfs/dbraw/zinc/08/86/85/599088685.db2.gz ZAODNLRZQHQLGW-GOSISDBHSA-N -1 3 370.482 3.006 20 0 FGADHM CC[C@@](C)(NC(=O)CCc1ccc(-c2nn[n-]n2)cc1)c1nc(C)cs1 ZINC000736316701 599088688 /nfs/dbraw/zinc/08/86/88/599088688.db2.gz ZAODNLRZQHQLGW-GOSISDBHSA-N -1 3 370.482 3.006 20 0 FGADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1CCS[C@H](C(C)C)C1 ZINC000822337400 599099263 /nfs/dbraw/zinc/09/92/63/599099263.db2.gz XWDGYHBRQYXLNV-HNNXBMFYSA-N -1 3 354.483 3.301 20 0 FGADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N1CCS[C@H](C(C)C)C1 ZINC000822337400 599099266 /nfs/dbraw/zinc/09/92/66/599099266.db2.gz XWDGYHBRQYXLNV-HNNXBMFYSA-N -1 3 354.483 3.301 20 0 FGADHM CC[C@@H]1CN(c2c(-c3nnn[n-]3)cnc3c(C)cc(C)cc32)CCS1 ZINC000820993720 599102067 /nfs/dbraw/zinc/10/20/67/599102067.db2.gz ATFBSJXWWBVEMX-CYBMUJFWSA-N -1 3 354.483 3.364 20 0 FGADHM CC[C@@H]1CN(c2c(-c3nn[n-]n3)cnc3c(C)cc(C)cc32)CCS1 ZINC000820993720 599102070 /nfs/dbraw/zinc/10/20/70/599102070.db2.gz ATFBSJXWWBVEMX-CYBMUJFWSA-N -1 3 354.483 3.364 20 0 FGADHM CC(=O)c1ccc(NC(=O)[C@@H](C)Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000735495962 599107511 /nfs/dbraw/zinc/10/75/11/599107511.db2.gz QWPUVICIPKEDFR-GFCCVEGCSA-N -1 3 367.434 3.189 20 0 FGADHM CC(=O)c1ccc(NC(=O)[C@@H](C)Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000735495962 599107513 /nfs/dbraw/zinc/10/75/13/599107513.db2.gz QWPUVICIPKEDFR-GFCCVEGCSA-N -1 3 367.434 3.189 20 0 FGADHM O[C@@H](C[C@H]1CCCN1c1cccc(F)c1-c1nnn[n-]1)c1ccccc1 ZINC000823674546 599109258 /nfs/dbraw/zinc/10/92/58/599109258.db2.gz RHQRISHOFXTEFZ-PBHICJAKSA-N -1 3 353.401 3.098 20 0 FGADHM O[C@@H](C[C@H]1CCCN1c1cccc(F)c1-c1nn[n-]n1)c1ccccc1 ZINC000823674546 599109261 /nfs/dbraw/zinc/10/92/61/599109261.db2.gz RHQRISHOFXTEFZ-PBHICJAKSA-N -1 3 353.401 3.098 20 0 FGADHM CC(C)N(Cc1ccccc1)C(=O)CSc1ccccc1-c1nnn[n-]1 ZINC000735874875 599109460 /nfs/dbraw/zinc/10/94/60/599109460.db2.gz VLBIDTVTRSOLRX-UHFFFAOYSA-N -1 3 367.478 3.396 20 0 FGADHM CC(C)N(Cc1ccccc1)C(=O)CSc1ccccc1-c1nn[n-]n1 ZINC000735874875 599109463 /nfs/dbraw/zinc/10/94/63/599109463.db2.gz VLBIDTVTRSOLRX-UHFFFAOYSA-N -1 3 367.478 3.396 20 0 FGADHM Cc1cccc2oc(CCNc3ncc(-c4nnn[n-]4)cc3Cl)nc21 ZINC000822341482 599111403 /nfs/dbraw/zinc/11/14/03/599111403.db2.gz XYMUKIBFDOLVNZ-UHFFFAOYSA-N -1 3 355.789 3.019 20 0 FGADHM Cc1cccc2oc(CCNc3ncc(-c4nn[n-]n4)cc3Cl)nc21 ZINC000822341482 599111405 /nfs/dbraw/zinc/11/14/05/599111405.db2.gz XYMUKIBFDOLVNZ-UHFFFAOYSA-N -1 3 355.789 3.019 20 0 FGADHM COc1cccc(CN(C)c2c(-c3nnn[n-]3)cnc3c(C)cccc32)c1 ZINC000737132102 599121895 /nfs/dbraw/zinc/12/18/95/599121895.db2.gz VVXLULLKVWAQTQ-UHFFFAOYSA-N -1 3 360.421 3.368 20 0 FGADHM COc1cccc(CN(C)c2c(-c3nn[n-]n3)cnc3c(C)cccc32)c1 ZINC000737132102 599121896 /nfs/dbraw/zinc/12/18/96/599121896.db2.gz VVXLULLKVWAQTQ-UHFFFAOYSA-N -1 3 360.421 3.368 20 0 FGADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2NCc1cc2ccccc2[nH]1 ZINC000737410250 599124660 /nfs/dbraw/zinc/12/46/60/599124660.db2.gz QRCKCJWIHQQQRU-UHFFFAOYSA-N -1 3 355.405 3.239 20 0 FGADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2NCc1cc2ccccc2[nH]1 ZINC000737410250 599124662 /nfs/dbraw/zinc/12/46/62/599124662.db2.gz QRCKCJWIHQQQRU-UHFFFAOYSA-N -1 3 355.405 3.239 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cc(C)cc(F)c1 ZINC000821104616 599140790 /nfs/dbraw/zinc/14/07/90/599140790.db2.gz KHQVFLAMVWZUKE-UHFFFAOYSA-N -1 3 353.401 3.367 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cc(C)cc(F)c1 ZINC000821104616 599140795 /nfs/dbraw/zinc/14/07/95/599140795.db2.gz KHQVFLAMVWZUKE-UHFFFAOYSA-N -1 3 353.401 3.367 20 0 FGADHM C[C@H](CCc1cccc(F)c1)C(=O)N(C)c1cccc(-c2nnn[n-]2)c1 ZINC000820254915 599146935 /nfs/dbraw/zinc/14/69/35/599146935.db2.gz ZRZBIYFMYDZRTM-CYBMUJFWSA-N -1 3 353.401 3.238 20 0 FGADHM C[C@H](CCc1cccc(F)c1)C(=O)N(C)c1cccc(-c2nn[n-]n2)c1 ZINC000820254915 599146937 /nfs/dbraw/zinc/14/69/37/599146937.db2.gz ZRZBIYFMYDZRTM-CYBMUJFWSA-N -1 3 353.401 3.238 20 0 FGADHM Cc1c(Br)cccc1C(=O)N(C)c1cccc(-c2nnn[n-]2)c1 ZINC000822015570 599147495 /nfs/dbraw/zinc/14/74/95/599147495.db2.gz MHMHCTFSFNLFCU-UHFFFAOYSA-N -1 3 372.226 3.214 20 0 FGADHM Cc1c(Br)cccc1C(=O)N(C)c1cccc(-c2nn[n-]n2)c1 ZINC000822015570 599147496 /nfs/dbraw/zinc/14/74/96/599147496.db2.gz MHMHCTFSFNLFCU-UHFFFAOYSA-N -1 3 372.226 3.214 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H](C)CC(=O)c1ccccc1F ZINC000822216212 599149378 /nfs/dbraw/zinc/14/93/78/599149378.db2.gz IOZZLTCCCRABEF-GFCCVEGCSA-N -1 3 367.384 3.162 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H](C)CC(=O)c1ccccc1F ZINC000822216212 599149379 /nfs/dbraw/zinc/14/93/79/599149379.db2.gz IOZZLTCCCRABEF-GFCCVEGCSA-N -1 3 367.384 3.162 20 0 FGADHM CC[C@@H](C)OC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000736327292 599151897 /nfs/dbraw/zinc/15/18/97/599151897.db2.gz QGQGLHCMNKDCAM-CYBMUJFWSA-N -1 3 352.394 3.401 20 0 FGADHM CC[C@@H](C)OC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000736327292 599151899 /nfs/dbraw/zinc/15/18/99/599151899.db2.gz QGQGLHCMNKDCAM-CYBMUJFWSA-N -1 3 352.394 3.401 20 0 FGADHM Clc1cccc(OCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)c1 ZINC000737576089 599160055 /nfs/dbraw/zinc/16/00/55/599160055.db2.gz ULCMVQHMDASEDT-UHFFFAOYSA-N -1 3 354.757 3.149 20 0 FGADHM Clc1cccc(OCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)c1 ZINC000737576089 599160056 /nfs/dbraw/zinc/16/00/56/599160056.db2.gz ULCMVQHMDASEDT-UHFFFAOYSA-N -1 3 354.757 3.149 20 0 FGADHM O=C(CCSc1cc(-c2nnn[n-]2)ccn1)Nc1cccc(Cl)c1 ZINC000737849849 599164879 /nfs/dbraw/zinc/16/48/79/599164879.db2.gz JSGZKEAZSDPRJX-UHFFFAOYSA-N -1 3 360.830 3.036 20 0 FGADHM O=C(CCSc1cc(-c2nn[n-]n2)ccn1)Nc1cccc(Cl)c1 ZINC000737849849 599164882 /nfs/dbraw/zinc/16/48/82/599164882.db2.gz JSGZKEAZSDPRJX-UHFFFAOYSA-N -1 3 360.830 3.036 20 0 FGADHM O=C(CCSc1ccc(-c2nnn[n-]2)cn1)Nc1cccc(Cl)c1 ZINC000737850202 599164979 /nfs/dbraw/zinc/16/49/79/599164979.db2.gz MMGXQEMTJBCYNM-UHFFFAOYSA-N -1 3 360.830 3.036 20 0 FGADHM O=C(CCSc1ccc(-c2nn[n-]n2)cn1)Nc1cccc(Cl)c1 ZINC000737850202 599164981 /nfs/dbraw/zinc/16/49/81/599164981.db2.gz MMGXQEMTJBCYNM-UHFFFAOYSA-N -1 3 360.830 3.036 20 0 FGADHM Cc1ccc([C@H]2CSCCN2C(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737333377 599167115 /nfs/dbraw/zinc/16/71/15/599167115.db2.gz UORWYEJNALYPAN-QGZVFWFLSA-N -1 3 365.462 3.105 20 0 FGADHM Cc1ccc([C@H]2CSCCN2C(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737333377 599167117 /nfs/dbraw/zinc/16/71/17/599167117.db2.gz UORWYEJNALYPAN-QGZVFWFLSA-N -1 3 365.462 3.105 20 0 FGADHM Cc1ccc([C@H]2CCCN2C(=O)CSc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000737329923 599167707 /nfs/dbraw/zinc/16/77/07/599167707.db2.gz HWGYVZSWMFBNCT-OAHLLOKOSA-N -1 3 369.450 3.224 20 0 FGADHM Cc1ccc([C@H]2CCCN2C(=O)CSc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000737329923 599167710 /nfs/dbraw/zinc/16/77/10/599167710.db2.gz HWGYVZSWMFBNCT-OAHLLOKOSA-N -1 3 369.450 3.224 20 0 FGADHM Cc1cc(C)c(-c2nnn[n-]2)c(NC[C@@H](O)c2ccc(C(C)(C)C)cc2)n1 ZINC000737240768 599170813 /nfs/dbraw/zinc/17/08/13/599170813.db2.gz MIFMTZHGZBKWFV-MRXNPFEDSA-N -1 3 366.469 3.322 20 0 FGADHM Cc1cc(C)c(-c2nn[n-]n2)c(NC[C@@H](O)c2ccc(C(C)(C)C)cc2)n1 ZINC000737240768 599170816 /nfs/dbraw/zinc/17/08/16/599170816.db2.gz MIFMTZHGZBKWFV-MRXNPFEDSA-N -1 3 366.469 3.322 20 0 FGADHM Fc1cc(-c2nnn[n-]2)ccc1SCc1nc(-c2ccccc2)no1 ZINC000737643970 599171887 /nfs/dbraw/zinc/17/18/87/599171887.db2.gz IOFUMSMMBHRFFZ-UHFFFAOYSA-N -1 3 354.370 3.348 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1SCc1nc(-c2ccccc2)no1 ZINC000737643970 599171890 /nfs/dbraw/zinc/17/18/90/599171890.db2.gz IOFUMSMMBHRFFZ-UHFFFAOYSA-N -1 3 354.370 3.348 20 0 FGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1F)Nc1cc(F)cc(F)c1 ZINC000737946961 599172270 /nfs/dbraw/zinc/17/22/70/599172270.db2.gz JXJNDYHEWXAYAO-UHFFFAOYSA-N -1 3 365.340 3.015 20 0 FGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1F)Nc1cc(F)cc(F)c1 ZINC000737946961 599172271 /nfs/dbraw/zinc/17/22/71/599172271.db2.gz JXJNDYHEWXAYAO-UHFFFAOYSA-N -1 3 365.340 3.015 20 0 FGADHM O=Cc1cc(OCc2ccc(-c3nnn[n-]3)cc2)ccc1Br ZINC000823557211 607259440 /nfs/dbraw/zinc/25/94/40/607259440.db2.gz HEXYZQQLWMZUHG-UHFFFAOYSA-N -1 3 359.183 3.021 20 0 FGADHM O=Cc1cc(OCc2ccc(-c3nn[n-]n3)cc2)ccc1Br ZINC000823557211 607259441 /nfs/dbraw/zinc/25/94/41/607259441.db2.gz HEXYZQQLWMZUHG-UHFFFAOYSA-N -1 3 359.183 3.021 20 0 FGADHM C[C@H](NC(=O)[C@@H]1CCSc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000736102724 599182091 /nfs/dbraw/zinc/18/20/91/599182091.db2.gz UNEPGMBSNAUXIU-BLLLJJGKSA-N -1 3 365.462 3.324 20 0 FGADHM C[C@H](NC(=O)[C@@H]1CCSc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000736102724 599182094 /nfs/dbraw/zinc/18/20/94/599182094.db2.gz UNEPGMBSNAUXIU-BLLLJJGKSA-N -1 3 365.462 3.324 20 0 FGADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H]1Cc2ccccc21 ZINC000735830078 599183963 /nfs/dbraw/zinc/18/39/63/599183963.db2.gz CKCQDLVTNMBEMJ-LJQANCHMSA-N -1 3 361.449 3.191 20 0 FGADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@H]1Cc2ccccc21 ZINC000735830078 599183965 /nfs/dbraw/zinc/18/39/65/599183965.db2.gz CKCQDLVTNMBEMJ-LJQANCHMSA-N -1 3 361.449 3.191 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cc2cccc(F)c2o1 ZINC000736633598 599184925 /nfs/dbraw/zinc/18/49/25/599184925.db2.gz BFWFAWVTOWKXED-UHFFFAOYSA-N -1 3 367.340 3.403 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc2cccc(F)c2o1 ZINC000736633598 599184928 /nfs/dbraw/zinc/18/49/28/599184928.db2.gz BFWFAWVTOWKXED-UHFFFAOYSA-N -1 3 367.340 3.403 20 0 FGADHM CC(C)C(C)(C)NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000735692162 599187541 /nfs/dbraw/zinc/18/75/41/599187541.db2.gz HAQUEIKPHMFVOJ-UHFFFAOYSA-N -1 3 354.361 3.024 20 0 FGADHM CC(C)C(C)(C)NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000735692162 599187544 /nfs/dbraw/zinc/18/75/44/599187544.db2.gz HAQUEIKPHMFVOJ-UHFFFAOYSA-N -1 3 354.361 3.024 20 0 FGADHM CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000821033530 599194142 /nfs/dbraw/zinc/19/41/42/599194142.db2.gz CDKVJPNXNAWAOJ-IIAWOOMASA-N -1 3 357.458 3.061 20 0 FGADHM CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000821033530 599194144 /nfs/dbraw/zinc/19/41/44/599194144.db2.gz CDKVJPNXNAWAOJ-IIAWOOMASA-N -1 3 357.458 3.061 20 0 FGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)C[C@H](C)n1cccc1 ZINC000735904403 599199020 /nfs/dbraw/zinc/19/90/20/599199020.db2.gz OFTIVZJQLJCQJE-ZDUSSCGKSA-N -1 3 354.414 3.045 20 0 FGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)C[C@H](C)n1cccc1 ZINC000735904403 599199022 /nfs/dbraw/zinc/19/90/22/599199022.db2.gz OFTIVZJQLJCQJE-ZDUSSCGKSA-N -1 3 354.414 3.045 20 0 FGADHM CC[C@H](Cc1ccccc1)N(C)C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000736349016 599209753 /nfs/dbraw/zinc/20/97/53/599209753.db2.gz CSNDFICNFIGDGQ-SWNWVQGVSA-N -1 3 361.449 3.360 20 0 FGADHM CC[C@H](Cc1ccccc1)N(C)C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000736349016 599209756 /nfs/dbraw/zinc/20/97/56/599209756.db2.gz CSNDFICNFIGDGQ-SWNWVQGVSA-N -1 3 361.449 3.360 20 0 FGADHM C[C@@H](NC(=O)NC(C)(C)c1cccs1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736112948 599215564 /nfs/dbraw/zinc/21/55/64/599215564.db2.gz LDQLICMSAQUAQZ-LLVKDONJSA-N -1 3 356.455 3.224 20 0 FGADHM C[C@@H](NC(=O)NC(C)(C)c1cccs1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736112948 599215565 /nfs/dbraw/zinc/21/55/65/599215565.db2.gz LDQLICMSAQUAQZ-LLVKDONJSA-N -1 3 356.455 3.224 20 0 FGADHM C[C@H](NC(=O)NC(C)(C)c1cccs1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736112949 599215783 /nfs/dbraw/zinc/21/57/83/599215783.db2.gz LDQLICMSAQUAQZ-NSHDSACASA-N -1 3 356.455 3.224 20 0 FGADHM C[C@H](NC(=O)NC(C)(C)c1cccs1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736112949 599215786 /nfs/dbraw/zinc/21/57/86/599215786.db2.gz LDQLICMSAQUAQZ-NSHDSACASA-N -1 3 356.455 3.224 20 0 FGADHM Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)c2sccc2-c2nnn[n-]2)o1 ZINC000822232760 599221614 /nfs/dbraw/zinc/22/16/14/599221614.db2.gz ALRUIPULYSCCHY-GXFFZTMASA-N -1 3 357.439 3.443 20 0 FGADHM Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)c2sccc2-c2nn[n-]n2)o1 ZINC000822232760 599221616 /nfs/dbraw/zinc/22/16/16/599221616.db2.gz ALRUIPULYSCCHY-GXFFZTMASA-N -1 3 357.439 3.443 20 0 FGADHM Cc1cccc(NC(=O)CN(C)c2cccc(Cl)c2-c2nnn[n-]2)c1C ZINC000822323359 599231251 /nfs/dbraw/zinc/23/12/51/599231251.db2.gz FRYSYLNSJHHOAN-UHFFFAOYSA-N -1 3 370.844 3.212 20 0 FGADHM Cc1cccc(NC(=O)CN(C)c2cccc(Cl)c2-c2nn[n-]n2)c1C ZINC000822323359 599231253 /nfs/dbraw/zinc/23/12/53/599231253.db2.gz FRYSYLNSJHHOAN-UHFFFAOYSA-N -1 3 370.844 3.212 20 0 FGADHM COc1ccc([C@@H](NCc2ccc(Br)s2)C(=O)[O-])cc1 ZINC000737967756 599857489 /nfs/dbraw/zinc/85/74/89/599857489.db2.gz CLXRAUPLGJOHGX-CYBMUJFWSA-N -1 3 356.241 3.435 20 0 FGADHM CC(C)c1cnc(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000735932692 599228147 /nfs/dbraw/zinc/22/81/47/599228147.db2.gz PVIIKIYENYOGEI-UHFFFAOYSA-N -1 3 360.468 3.177 20 0 FGADHM CC(C)c1cnc(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000735932692 599228148 /nfs/dbraw/zinc/22/81/48/599228148.db2.gz PVIIKIYENYOGEI-UHFFFAOYSA-N -1 3 360.468 3.177 20 0 FGADHM Cc1c(NC(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)cccc1-c1nnn[n-]1 ZINC000822059590 607266955 /nfs/dbraw/zinc/26/69/55/607266955.db2.gz DEGRRNTWBWZIGM-OLZOCXBDSA-N -1 3 355.348 3.196 20 0 FGADHM Cc1c(NC(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)cccc1-c1nn[n-]n1 ZINC000822059590 607266956 /nfs/dbraw/zinc/26/69/56/607266956.db2.gz DEGRRNTWBWZIGM-OLZOCXBDSA-N -1 3 355.348 3.196 20 0 FGADHM C[C@@H](NC(=S)N[C@H](C)c1cccc(-c2nnn[n-]2)c1)c1cccs1 ZINC000820403952 599237516 /nfs/dbraw/zinc/23/75/16/599237516.db2.gz NLRWGYBFTDKHMB-GHMZBOCLSA-N -1 3 358.496 3.215 20 0 FGADHM C[C@@H](NC(=S)N[C@H](C)c1cccc(-c2nn[n-]n2)c1)c1cccs1 ZINC000820403952 599237520 /nfs/dbraw/zinc/23/75/20/599237520.db2.gz NLRWGYBFTDKHMB-GHMZBOCLSA-N -1 3 358.496 3.215 20 0 FGADHM COc1ccc(CCCC(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1 ZINC000821789925 607267693 /nfs/dbraw/zinc/26/76/93/607267693.db2.gz CFXBRGUQORKCEQ-UHFFFAOYSA-N -1 3 351.410 3.145 20 0 FGADHM COc1ccc(CCCC(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1 ZINC000821789925 607267694 /nfs/dbraw/zinc/26/76/94/607267694.db2.gz CFXBRGUQORKCEQ-UHFFFAOYSA-N -1 3 351.410 3.145 20 0 FGADHM Cc1c(NC(=O)CCc2cn(C)c3ccccc23)cccc1-c1nnn[n-]1 ZINC000822065961 607270672 /nfs/dbraw/zinc/27/06/72/607270672.db2.gz CJCMYAKXKIDKTO-UHFFFAOYSA-N -1 3 360.421 3.238 20 0 FGADHM Cc1c(NC(=O)CCc2cn(C)c3ccccc23)cccc1-c1nn[n-]n1 ZINC000822065961 607270673 /nfs/dbraw/zinc/27/06/73/607270673.db2.gz CJCMYAKXKIDKTO-UHFFFAOYSA-N -1 3 360.421 3.238 20 0 FGADHM Cc1c(NC(=O)c2sccc2Br)cccc1-c1nnn[n-]1 ZINC000822115338 607270869 /nfs/dbraw/zinc/27/08/69/607270869.db2.gz CKQDWJSFAUMNHX-UHFFFAOYSA-N -1 3 364.228 3.251 20 0 FGADHM Cc1c(NC(=O)c2sccc2Br)cccc1-c1nn[n-]n1 ZINC000822115338 607270870 /nfs/dbraw/zinc/27/08/70/607270870.db2.gz CKQDWJSFAUMNHX-UHFFFAOYSA-N -1 3 364.228 3.251 20 0 FGADHM CC(C)C(NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)C(C)C ZINC000820025698 607271132 /nfs/dbraw/zinc/27/11/32/607271132.db2.gz CEDZZELAQKFOMF-UHFFFAOYSA-N -1 3 368.388 3.270 20 0 FGADHM CC(C)C(NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)C(C)C ZINC000820025698 607271133 /nfs/dbraw/zinc/27/11/33/607271133.db2.gz CEDZZELAQKFOMF-UHFFFAOYSA-N -1 3 368.388 3.270 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc(C)nc1 ZINC000821104846 607274040 /nfs/dbraw/zinc/27/40/40/607274040.db2.gz SSNXJQSWEFNYLV-UHFFFAOYSA-N -1 3 351.414 3.014 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc(C)nc1 ZINC000821104846 607274041 /nfs/dbraw/zinc/27/40/41/607274041.db2.gz SSNXJQSWEFNYLV-UHFFFAOYSA-N -1 3 351.414 3.014 20 0 FGADHM C[C@@]1(c2ccccc2)C[C@H]1NC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820633836 599249938 /nfs/dbraw/zinc/24/99/38/599249938.db2.gz DUDKQFKCXGKOPF-QAPCUYQASA-N -1 3 368.828 3.372 20 0 FGADHM C[C@@]1(c2ccccc2)C[C@H]1NC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820633836 599249939 /nfs/dbraw/zinc/24/99/39/599249939.db2.gz DUDKQFKCXGKOPF-QAPCUYQASA-N -1 3 368.828 3.372 20 0 FGADHM Cc1cc(C)cc(CCNC(=O)Nc2cccc(-c3nnn[n-]3)c2C)c1 ZINC000822196646 607281089 /nfs/dbraw/zinc/28/10/89/607281089.db2.gz RERAQFVSCKFYEP-UHFFFAOYSA-N -1 3 350.426 3.156 20 0 FGADHM Cc1cc(C)cc(CCNC(=O)Nc2cccc(-c3nn[n-]n3)c2C)c1 ZINC000822196646 607281090 /nfs/dbraw/zinc/28/10/90/607281090.db2.gz RERAQFVSCKFYEP-UHFFFAOYSA-N -1 3 350.426 3.156 20 0 FGADHM Cc1c(NC(=O)N[C@@H]2CCc3c2cccc3F)cccc1-c1nnn[n-]1 ZINC000822089757 607281597 /nfs/dbraw/zinc/28/15/97/607281597.db2.gz GMZHBRCKFDSTBI-MRXNPFEDSA-N -1 3 352.373 3.123 20 0 FGADHM Cc1c(NC(=O)N[C@@H]2CCc3c2cccc3F)cccc1-c1nn[n-]n1 ZINC000822089757 607281598 /nfs/dbraw/zinc/28/15/98/607281598.db2.gz GMZHBRCKFDSTBI-MRXNPFEDSA-N -1 3 352.373 3.123 20 0 FGADHM Cc1cc(NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)ccc1N(C)C ZINC000822208570 599253525 /nfs/dbraw/zinc/25/35/25/599253525.db2.gz YCGGFRNQWXUHDX-ZDUSSCGKSA-N -1 3 365.441 3.124 20 0 FGADHM Cc1cc(NC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)ccc1N(C)C ZINC000822208570 599253528 /nfs/dbraw/zinc/25/35/28/599253528.db2.gz YCGGFRNQWXUHDX-ZDUSSCGKSA-N -1 3 365.441 3.124 20 0 FGADHM Cc1cccnc1[C@@H](NC(=O)Nc1cccc(-c2nnn[n-]2)c1C)C(C)C ZINC000822370469 607282764 /nfs/dbraw/zinc/28/27/64/607282764.db2.gz YYORXRHWZVAUIM-INIZCTEOSA-N -1 3 365.441 3.397 20 0 FGADHM Cc1cccnc1[C@@H](NC(=O)Nc1cccc(-c2nn[n-]n2)c1C)C(C)C ZINC000822370469 607282765 /nfs/dbraw/zinc/28/27/65/607282765.db2.gz YYORXRHWZVAUIM-INIZCTEOSA-N -1 3 365.441 3.397 20 0 FGADHM COc1ccccc1CNc1c(-c2nnn[n-]2)cnc2ccc(Cl)cc21 ZINC000737153122 599253811 /nfs/dbraw/zinc/25/38/11/599253811.db2.gz QFGLEMBYHGHFPT-UHFFFAOYSA-N -1 3 366.812 3.111 20 0 FGADHM COc1ccccc1CNc1c(-c2nn[n-]n2)cnc2ccc(Cl)cc21 ZINC000737153122 599253812 /nfs/dbraw/zinc/25/38/12/599253812.db2.gz QFGLEMBYHGHFPT-UHFFFAOYSA-N -1 3 366.812 3.111 20 0 FGADHM Clc1ccc2ncc(-c3nnn[n-]3)c(NCCc3cccs3)c2c1 ZINC000737574869 599257196 /nfs/dbraw/zinc/25/71/96/599257196.db2.gz VIIATMDCGHTICH-UHFFFAOYSA-N -1 3 356.842 3.206 20 0 FGADHM Clc1ccc2ncc(-c3nn[n-]n3)c(NCCc3cccs3)c2c1 ZINC000737574869 599257199 /nfs/dbraw/zinc/25/71/99/599257199.db2.gz VIIATMDCGHTICH-UHFFFAOYSA-N -1 3 356.842 3.206 20 0 FGADHM Cc1ccc(SCCNC(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1 ZINC000822271056 607286967 /nfs/dbraw/zinc/28/69/67/607286967.db2.gz KPZOOXNZGJEFBB-UHFFFAOYSA-N -1 3 368.466 3.397 20 0 FGADHM Cc1ccc(SCCNC(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1 ZINC000822271056 607286968 /nfs/dbraw/zinc/28/69/68/607286968.db2.gz KPZOOXNZGJEFBB-UHFFFAOYSA-N -1 3 368.466 3.397 20 0 FGADHM CCS[C@H]1CCCCN(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)C1 ZINC000821456207 607289763 /nfs/dbraw/zinc/28/97/63/607289763.db2.gz ODIOAZNZEFPELD-ZDUSSCGKSA-N -1 3 360.487 3.315 20 0 FGADHM CCS[C@H]1CCCCN(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)C1 ZINC000821456207 607289764 /nfs/dbraw/zinc/28/97/64/607289764.db2.gz ODIOAZNZEFPELD-ZDUSSCGKSA-N -1 3 360.487 3.315 20 0 FGADHM COc1cc(C)ccc1NC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821713308 599258515 /nfs/dbraw/zinc/25/85/15/599258515.db2.gz UMDMVFGQLKFWRT-GFCCVEGCSA-N -1 3 352.398 3.066 20 0 FGADHM COc1cc(C)ccc1NC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821713308 599258517 /nfs/dbraw/zinc/25/85/17/599258517.db2.gz UMDMVFGQLKFWRT-GFCCVEGCSA-N -1 3 352.398 3.066 20 0 FGADHM CCc1ccc([C@@H]2CCCN2C(=O)C=Cc2ccccc2-c2nnn[n-]2)o1 ZINC000736689501 599259608 /nfs/dbraw/zinc/25/96/08/599259608.db2.gz YGBTVMCYRBFKPP-GKUQOKNUSA-N -1 3 363.421 3.399 20 0 FGADHM CCc1ccc([C@@H]2CCCN2C(=O)C=Cc2ccccc2-c2nn[n-]n2)o1 ZINC000736689501 599259612 /nfs/dbraw/zinc/25/96/12/599259612.db2.gz YGBTVMCYRBFKPP-GKUQOKNUSA-N -1 3 363.421 3.399 20 0 FGADHM CCc1ccc([C@@H]2CCCN2C(=O)CCc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000736684984 599259883 /nfs/dbraw/zinc/25/98/83/599259883.db2.gz JEKPLKGGJHPMQD-KRWDZBQOSA-N -1 3 365.437 3.318 20 0 FGADHM CCc1ccc([C@@H]2CCCN2C(=O)CCc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000736684984 599259884 /nfs/dbraw/zinc/25/98/84/599259884.db2.gz JEKPLKGGJHPMQD-KRWDZBQOSA-N -1 3 365.437 3.318 20 0 FGADHM CC(C)c1cccc(N(C)C(=O)c2ncc(-c3nnn[n-]3)cc2Cl)c1 ZINC000820196736 607299585 /nfs/dbraw/zinc/29/95/85/607299585.db2.gz BIHRUGMPGWZIRI-UHFFFAOYSA-N -1 3 356.817 3.315 20 0 FGADHM CC(C)c1cccc(N(C)C(=O)c2ncc(-c3nn[n-]n3)cc2Cl)c1 ZINC000820196736 607299586 /nfs/dbraw/zinc/29/95/86/607299586.db2.gz BIHRUGMPGWZIRI-UHFFFAOYSA-N -1 3 356.817 3.315 20 0 FGADHM O[C@H]1CCCC[C@@H]1CCCNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000823705589 607306562 /nfs/dbraw/zinc/30/65/62/607306562.db2.gz HITJYZLWSLCXCD-PWSUYJOCSA-N -1 3 370.379 3.024 20 0 FGADHM O[C@H]1CCCC[C@@H]1CCCNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000823705589 607306563 /nfs/dbraw/zinc/30/65/63/607306563.db2.gz HITJYZLWSLCXCD-PWSUYJOCSA-N -1 3 370.379 3.024 20 0 FGADHM COc1ccc(CNc2ccc(C)c(NC(C)=O)c2C)cc1-c1nnn[n-]1 ZINC000821821715 607309998 /nfs/dbraw/zinc/30/99/98/607309998.db2.gz SJTAIQAQPATBSY-UHFFFAOYSA-N -1 3 366.425 3.063 20 0 FGADHM COc1ccc(CNc2ccc(C)c(NC(C)=O)c2C)cc1-c1nn[n-]n1 ZINC000821821715 607309999 /nfs/dbraw/zinc/30/99/99/607309999.db2.gz SJTAIQAQPATBSY-UHFFFAOYSA-N -1 3 366.425 3.063 20 0 FGADHM CC(C)(C)NC(=O)c1cccc(NCc2ccc(-c3nnn[n-]3)s2)c1 ZINC000819923396 607312041 /nfs/dbraw/zinc/31/20/41/607312041.db2.gz ZNGNBSLPYIKUKC-UHFFFAOYSA-N -1 3 356.455 3.069 20 0 FGADHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(NCc3ccc4c(c3)COC4)c2c1 ZINC000822196296 607305828 /nfs/dbraw/zinc/30/58/28/607305828.db2.gz CXGCRCRCUJLQOJ-UHFFFAOYSA-N -1 3 372.432 3.096 20 0 FGADHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(NCc3ccc4c(c3)COC4)c2c1 ZINC000822196296 607305829 /nfs/dbraw/zinc/30/58/29/607305829.db2.gz CXGCRCRCUJLQOJ-UHFFFAOYSA-N -1 3 372.432 3.096 20 0 FGADHM CC(C)n1ncc2cc(NCc3cnc4ccc(-c5nnn[n-]5)cn34)ccc21 ZINC000820215070 607316956 /nfs/dbraw/zinc/31/69/56/607316956.db2.gz RWJHUWVZACXABD-UHFFFAOYSA-N -1 3 373.424 3.057 20 0 FGADHM CC(C)n1ncc2cc(NCc3cnc4ccc(-c5nn[n-]n5)cn34)ccc21 ZINC000820215070 607316957 /nfs/dbraw/zinc/31/69/57/607316957.db2.gz RWJHUWVZACXABD-UHFFFAOYSA-N -1 3 373.424 3.057 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)NCc1c(C)cccc1F ZINC000821412041 599268266 /nfs/dbraw/zinc/26/82/66/599268266.db2.gz GOFYGWXFEBWQMH-UHFFFAOYSA-N -1 3 370.388 3.035 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)NCc1c(C)cccc1F ZINC000821412041 599268268 /nfs/dbraw/zinc/26/82/68/599268268.db2.gz GOFYGWXFEBWQMH-UHFFFAOYSA-N -1 3 370.388 3.035 20 0 FGADHM Cc1occc1-c1nnc(S[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)n1C ZINC000737551167 599288642 /nfs/dbraw/zinc/28/86/42/599288642.db2.gz GEAGTUFPOOPNPA-NSHDSACASA-N -1 3 367.438 3.417 20 0 FGADHM Cc1occc1-c1nnc(S[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)n1C ZINC000737551167 599288645 /nfs/dbraw/zinc/28/86/45/599288645.db2.gz GEAGTUFPOOPNPA-NSHDSACASA-N -1 3 367.438 3.417 20 0 FGADHM CC(C)c1nc(C2(NCc3ccc(F)cc3-c3nnn[n-]3)CCCC2)no1 ZINC000735940561 599291653 /nfs/dbraw/zinc/29/16/53/599291653.db2.gz QMUWUFQYRAZOPJ-UHFFFAOYSA-N -1 3 371.420 3.071 20 0 FGADHM CC(C)c1nc(C2(NCc3ccc(F)cc3-c3nn[n-]n3)CCCC2)no1 ZINC000735940561 599291655 /nfs/dbraw/zinc/29/16/55/599291655.db2.gz QMUWUFQYRAZOPJ-UHFFFAOYSA-N -1 3 371.420 3.071 20 0 FGADHM FC(F)(F)c1ccc(N2CCN(c3ccccc3)CC2)cc1-c1nnn[n-]1 ZINC000822723703 607345051 /nfs/dbraw/zinc/34/50/51/607345051.db2.gz LFXSRXYHXLXERF-UHFFFAOYSA-N -1 3 374.370 3.212 20 0 FGADHM FC(F)(F)c1ccc(N2CCN(c3ccccc3)CC2)cc1-c1nn[n-]n1 ZINC000822723703 607345053 /nfs/dbraw/zinc/34/50/53/607345053.db2.gz LFXSRXYHXLXERF-UHFFFAOYSA-N -1 3 374.370 3.212 20 0 FGADHM CCCCCCC(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736443123 598236056 /nfs/dbraw/zinc/23/60/56/598236056.db2.gz ZQCJMASZDJRVKG-UHFFFAOYSA-N -1 3 357.458 3.207 20 0 FGADHM CCCCCCC(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736443123 598236058 /nfs/dbraw/zinc/23/60/58/598236058.db2.gz ZQCJMASZDJRVKG-UHFFFAOYSA-N -1 3 357.458 3.207 20 0 FGADHM C[C@H]1Cc2ccccc2N(C(=O)CSc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736298101 598239270 /nfs/dbraw/zinc/23/92/70/598239270.db2.gz OQJMUHRHHZPQGK-ZDUSSCGKSA-N -1 3 365.462 3.184 20 0 FGADHM C[C@H]1Cc2ccccc2N(C(=O)CSc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736298101 598239271 /nfs/dbraw/zinc/23/92/71/598239271.db2.gz OQJMUHRHHZPQGK-ZDUSSCGKSA-N -1 3 365.462 3.184 20 0 FGADHM CC[C@@H](C)[C@@H](C)N(C(=O)CSc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000736329168 598240822 /nfs/dbraw/zinc/24/08/22/598240822.db2.gz IOYKDDWMQNDWCL-CHWSQXEVSA-N -1 3 359.499 3.384 20 0 FGADHM CC[C@@H](C)[C@@H](C)N(C(=O)CSc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000736329168 598240824 /nfs/dbraw/zinc/24/08/24/598240824.db2.gz IOYKDDWMQNDWCL-CHWSQXEVSA-N -1 3 359.499 3.384 20 0 FGADHM C[C@H](Nc1ccc(-c2nn[n-]n2)cc1F)c1ccc(N2CCCC2=O)cc1 ZINC000736138695 598241672 /nfs/dbraw/zinc/24/16/72/598241672.db2.gz NYYCMQNUOWIFPE-LBPRGKRZSA-N -1 3 366.400 3.306 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N1CC[C@@H](c2cccc(F)c2)C1 ZINC000737802945 598242890 /nfs/dbraw/zinc/24/28/90/598242890.db2.gz YWQYILOBUUEKQH-HLRDLLSLSA-N -1 3 363.396 3.035 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N1CC[C@@H](c2cccc(F)c2)C1 ZINC000737802945 598242891 /nfs/dbraw/zinc/24/28/91/598242891.db2.gz YWQYILOBUUEKQH-HLRDLLSLSA-N -1 3 363.396 3.035 20 0 FGADHM C[C@H]1CN(c2ccc(Nc3cccc(F)c3-c3nnn[n-]3)cc2)C[C@H](C)O1 ZINC000736290543 598243141 /nfs/dbraw/zinc/24/31/41/598243141.db2.gz BGHXPAFDZUPCII-STQMWFEESA-N -1 3 368.416 3.363 20 0 FGADHM C[C@H]1CN(c2ccc(Nc3cccc(F)c3-c3nn[n-]n3)cc2)C[C@H](C)O1 ZINC000736290543 598243143 /nfs/dbraw/zinc/24/31/43/598243143.db2.gz BGHXPAFDZUPCII-STQMWFEESA-N -1 3 368.416 3.363 20 0 FGADHM CCc1csc([C@H]2CCCN(c3cccc(F)c3-c3nnn[n-]3)C2)n1 ZINC000736701062 598243863 /nfs/dbraw/zinc/24/38/63/598243863.db2.gz YDFHKMAMEQOICN-NSHDSACASA-N -1 3 358.446 3.409 20 0 FGADHM CCc1csc([C@H]2CCCN(c3cccc(F)c3-c3nn[n-]n3)C2)n1 ZINC000736701062 598243864 /nfs/dbraw/zinc/24/38/64/598243864.db2.gz YDFHKMAMEQOICN-NSHDSACASA-N -1 3 358.446 3.409 20 0 FGADHM Cc1ccc2[nH]c3c(c2c1)CN(CCOc1ccccc1-c1nnn[n-]1)CC3 ZINC000737372962 598252152 /nfs/dbraw/zinc/25/21/52/598252152.db2.gz OEULNLRIZLWTTJ-UHFFFAOYSA-N -1 3 374.448 3.094 20 0 FGADHM Cc1ccc2[nH]c3c(c2c1)CN(CCOc1ccccc1-c1nn[n-]n1)CC3 ZINC000737372962 598252153 /nfs/dbraw/zinc/25/21/53/598252153.db2.gz OEULNLRIZLWTTJ-UHFFFAOYSA-N -1 3 374.448 3.094 20 0 FGADHM C[C@@H]1C[C@@H]1CNC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736240462 598266502 /nfs/dbraw/zinc/26/65/02/598266502.db2.gz UYZJXKAAYYICMD-TZMCWYRMSA-N -1 3 364.409 3.437 20 0 FGADHM C[C@@H]1C[C@@H]1CNC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736240462 598266503 /nfs/dbraw/zinc/26/65/03/598266503.db2.gz UYZJXKAAYYICMD-TZMCWYRMSA-N -1 3 364.409 3.437 20 0 FGADHM CN(C(=O)C=Cc1ccc(Cl)s1)c1ccc(-c2nnn[n-]2)cc1F ZINC000736731392 598281330 /nfs/dbraw/zinc/28/13/30/598281330.db2.gz BSGWRFHLCIQCGQ-QPJJXVBHSA-N -1 3 363.805 3.397 20 0 FGADHM CN(C(=O)C=Cc1ccc(Cl)s1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736731392 598281331 /nfs/dbraw/zinc/28/13/31/598281331.db2.gz BSGWRFHLCIQCGQ-QPJJXVBHSA-N -1 3 363.805 3.397 20 0 FGADHM CN(C(=O)/C=C/Sc1ccccc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000736732177 598281656 /nfs/dbraw/zinc/28/16/56/598281656.db2.gz KXWYGNBMGAIUFV-MDZDMXLPSA-N -1 3 355.398 3.275 20 0 FGADHM CN(C(=O)/C=C/Sc1ccccc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736732177 598281657 /nfs/dbraw/zinc/28/16/57/598281657.db2.gz KXWYGNBMGAIUFV-MDZDMXLPSA-N -1 3 355.398 3.275 20 0 FGADHM Cc1c2cccc(F)c2oc1C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000737203714 598282003 /nfs/dbraw/zinc/28/20/03/598282003.db2.gz VSRZEACPCZAXBB-UHFFFAOYSA-N -1 3 369.331 3.476 20 0 FGADHM Cc1c2cccc(F)c2oc1C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000737203714 598282004 /nfs/dbraw/zinc/28/20/04/598282004.db2.gz VSRZEACPCZAXBB-UHFFFAOYSA-N -1 3 369.331 3.476 20 0 FGADHM C[C@H](NC(=O)[C@H]1CCCc2sccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000820321816 607347504 /nfs/dbraw/zinc/34/75/04/607347504.db2.gz MTXPNXDTNMOIHP-NHYWBVRUSA-N -1 3 353.451 3.226 20 0 FGADHM C[C@H](NC(=O)[C@H]1CCCc2sccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000820321816 607347506 /nfs/dbraw/zinc/34/75/06/607347506.db2.gz MTXPNXDTNMOIHP-NHYWBVRUSA-N -1 3 353.451 3.226 20 0 FGADHM Fc1cccc(N2CCCC2)c1CNCc1ccc(-c2nnn[n-]2)cc1F ZINC000737637744 598316272 /nfs/dbraw/zinc/31/62/72/598316272.db2.gz CPYHKNWZNOAFIZ-UHFFFAOYSA-N -1 3 370.407 3.035 20 0 FGADHM Fc1cccc(N2CCCC2)c1CNCc1ccc(-c2nn[n-]n2)cc1F ZINC000737637744 598316274 /nfs/dbraw/zinc/31/62/74/598316274.db2.gz CPYHKNWZNOAFIZ-UHFFFAOYSA-N -1 3 370.407 3.035 20 0 FGADHM CCCN(CC(F)F)C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736470318 598323924 /nfs/dbraw/zinc/32/39/24/598323924.db2.gz NMXBWGZFYCXWDI-UHFFFAOYSA-N -1 3 360.821 3.194 20 0 FGADHM CCCN(CC(F)F)C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736470318 598323926 /nfs/dbraw/zinc/32/39/26/598323926.db2.gz NMXBWGZFYCXWDI-UHFFFAOYSA-N -1 3 360.821 3.194 20 0 FGADHM CC(C)c1nc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCC3)cs1 ZINC000735941102 598325170 /nfs/dbraw/zinc/32/51/70/598325170.db2.gz WSUAYTVYKAJXEA-UHFFFAOYSA-N -1 3 360.468 3.249 20 0 FGADHM CC(C)c1nc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)cs1 ZINC000735941102 598325172 /nfs/dbraw/zinc/32/51/72/598325172.db2.gz WSUAYTVYKAJXEA-UHFFFAOYSA-N -1 3 360.468 3.249 20 0 FGADHM CN(Cc1cccc(Cl)c1)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000736828677 598328690 /nfs/dbraw/zinc/32/86/90/598328690.db2.gz QJYACSSBNWNMLA-UHFFFAOYSA-N -1 3 374.807 3.001 20 0 FGADHM CN(Cc1cccc(Cl)c1)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000736828677 598328691 /nfs/dbraw/zinc/32/86/91/598328691.db2.gz QJYACSSBNWNMLA-UHFFFAOYSA-N -1 3 374.807 3.001 20 0 FGADHM CC[C@H](COC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000736354509 598331376 /nfs/dbraw/zinc/33/13/76/598331376.db2.gz UFPLVYOCTVHZLQ-HUUCEWRRSA-N -1 3 366.421 3.371 20 0 FGADHM CC[C@H](COC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000736354509 598331378 /nfs/dbraw/zinc/33/13/78/598331378.db2.gz UFPLVYOCTVHZLQ-HUUCEWRRSA-N -1 3 366.421 3.371 20 0 FGADHM c1c(CNc2nc3c(cc2-c2nnn[n-]2)CCC3)noc1-c1ccccc1 ZINC000738421325 598369359 /nfs/dbraw/zinc/36/93/59/598369359.db2.gz RIJINLFEOZUMQZ-UHFFFAOYSA-N -1 3 359.393 3.018 20 0 FGADHM c1c(CNc2nc3c(cc2-c2nn[n-]n2)CCC3)noc1-c1ccccc1 ZINC000738421325 598369361 /nfs/dbraw/zinc/36/93/61/598369361.db2.gz RIJINLFEOZUMQZ-UHFFFAOYSA-N -1 3 359.393 3.018 20 0 FGADHM Cc1ccc(SC[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2)c(C)c1 ZINC000737368837 598369539 /nfs/dbraw/zinc/36/95/39/598369539.db2.gz NJHRJWMVQPBTTM-HNNXBMFYSA-N -1 3 356.451 3.016 20 0 FGADHM Fc1ccccc1CSCCNc1ncc(-c2nnn[n-]2)cc1Cl ZINC000737668433 598386868 /nfs/dbraw/zinc/38/68/68/598386868.db2.gz GBUPVNKIAOZVHT-UHFFFAOYSA-N -1 3 364.837 3.400 20 0 FGADHM Fc1ccccc1CSCCNc1ncc(-c2nn[n-]n2)cc1Cl ZINC000737668433 598386870 /nfs/dbraw/zinc/38/68/70/598386870.db2.gz GBUPVNKIAOZVHT-UHFFFAOYSA-N -1 3 364.837 3.400 20 0 FGADHM Clc1cc(-c2nnn[n-]2)cnc1NCc1ccc(Br)s1 ZINC000737557714 598388088 /nfs/dbraw/zinc/38/80/88/598388088.db2.gz HWAQZQQVNDWKLF-UHFFFAOYSA-N -1 3 371.651 3.351 20 0 FGADHM Clc1cc(-c2nn[n-]n2)cnc1NCc1ccc(Br)s1 ZINC000737557714 598388089 /nfs/dbraw/zinc/38/80/89/598388089.db2.gz HWAQZQQVNDWKLF-UHFFFAOYSA-N -1 3 371.651 3.351 20 0 FGADHM CC(=O)c1csc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(C)C)c1 ZINC000735504569 598395063 /nfs/dbraw/zinc/39/50/63/598395063.db2.gz PCLXMBFUJBNEJL-UHFFFAOYSA-N -1 3 371.422 3.170 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1OCC(=O)Nc1cccc(C(C)C)c1 ZINC000737222315 598395233 /nfs/dbraw/zinc/39/52/33/598395233.db2.gz XIWQLQWFJZTBQH-UHFFFAOYSA-N -1 3 351.410 3.316 20 0 FGADHM COc1ccccc1C/C(C)=C\C(=O)N(C)c1cccc(-c2nnn[n-]2)c1 ZINC000737152727 598395990 /nfs/dbraw/zinc/39/59/90/598395990.db2.gz MRUKTCAUAONYGK-OWBHPGMISA-N -1 3 363.421 3.027 20 0 FGADHM COc1ccccc1C/C(C)=C\C(=O)N(C)c1cccc(-c2nn[n-]n2)c1 ZINC000737152727 598395992 /nfs/dbraw/zinc/39/59/92/598395992.db2.gz MRUKTCAUAONYGK-OWBHPGMISA-N -1 3 363.421 3.027 20 0 FGADHM Cc1ccc(NC(=O)[C@@H](C)Sc2ccc(-c3nnn[n-]3)cc2)c(F)c1 ZINC000737357398 598414444 /nfs/dbraw/zinc/41/44/44/598414444.db2.gz YQFZDOQGYPOWLQ-LLVKDONJSA-N -1 3 357.414 3.434 20 0 FGADHM Cc1ccc(NC(=O)[C@@H](C)Sc2ccc(-c3nn[n-]n3)cc2)c(F)c1 ZINC000737357398 598414446 /nfs/dbraw/zinc/41/44/46/598414446.db2.gz YQFZDOQGYPOWLQ-LLVKDONJSA-N -1 3 357.414 3.434 20 0 FGADHM COc1cccc([C@@H]2C[C@@H]2C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000737131948 598414952 /nfs/dbraw/zinc/41/49/52/598414952.db2.gz ZFDKPPMTFBJPMZ-IGNZVWTISA-N -1 3 364.405 3.283 20 0 FGADHM COc1cccc([C@@H]2C[C@@H]2C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737131948 598414953 /nfs/dbraw/zinc/41/49/53/598414953.db2.gz ZFDKPPMTFBJPMZ-IGNZVWTISA-N -1 3 364.405 3.283 20 0 FGADHM Cc1ccc(NC(=O)[C@H](C)Sc2ccc(-c3nnn[n-]3)cc2)c(F)c1 ZINC000737357400 598414975 /nfs/dbraw/zinc/41/49/75/598414975.db2.gz YQFZDOQGYPOWLQ-NSHDSACASA-N -1 3 357.414 3.434 20 0 FGADHM Cc1ccc(NC(=O)[C@H](C)Sc2ccc(-c3nn[n-]n3)cc2)c(F)c1 ZINC000737357400 598414977 /nfs/dbraw/zinc/41/49/77/598414977.db2.gz YQFZDOQGYPOWLQ-NSHDSACASA-N -1 3 357.414 3.434 20 0 FGADHM CC(C)n1ccnc1CSc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC000735965482 598419147 /nfs/dbraw/zinc/41/91/47/598419147.db2.gz LYUWZBOUIGEOOR-UHFFFAOYSA-N -1 3 355.471 3.210 20 0 FGADHM CC(C)n1ccnc1CSc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC000735965482 598419149 /nfs/dbraw/zinc/41/91/49/598419149.db2.gz LYUWZBOUIGEOOR-UHFFFAOYSA-N -1 3 355.471 3.210 20 0 FGADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@H](C)c1ccccc1 ZINC000735734258 598421950 /nfs/dbraw/zinc/42/19/50/598421950.db2.gz GDDZDHOECNNNKK-KDOFPFPSSA-N -1 3 365.437 3.148 20 0 FGADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@H](C)c1ccccc1 ZINC000735734258 598421952 /nfs/dbraw/zinc/42/19/52/598421952.db2.gz GDDZDHOECNNNKK-KDOFPFPSSA-N -1 3 365.437 3.148 20 0 FGADHM CC(C)CN(Cc1nccn1C(C)C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000735830821 598426746 /nfs/dbraw/zinc/42/67/46/598426746.db2.gz JNJQSRXMDBCGDN-UHFFFAOYSA-N -1 3 353.474 3.302 20 0 FGADHM Cc1ccc([C@H](C)NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)o1 ZINC000737320554 598428727 /nfs/dbraw/zinc/42/87/27/598428727.db2.gz MZCBZBPDLBCZAU-AWEZNQCLSA-N -1 3 368.441 3.449 20 0 FGADHM Cc1ccc([C@H](C)NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)o1 ZINC000737320554 598428729 /nfs/dbraw/zinc/42/87/29/598428729.db2.gz MZCBZBPDLBCZAU-AWEZNQCLSA-N -1 3 368.441 3.449 20 0 FGADHM CCCCCOc1ccc(OC(=O)c2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000736451870 598435270 /nfs/dbraw/zinc/43/52/70/598435270.db2.gz QLCLFCQQXOHJEZ-UHFFFAOYSA-N -1 3 353.382 3.050 20 0 FGADHM CCCCCOc1ccc(OC(=O)c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000736451870 598435272 /nfs/dbraw/zinc/43/52/72/598435272.db2.gz QLCLFCQQXOHJEZ-UHFFFAOYSA-N -1 3 353.382 3.050 20 0 FGADHM O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(-c2nnn[n-]2)cn1 ZINC000738163279 598436059 /nfs/dbraw/zinc/43/60/59/598436059.db2.gz KKRPRHPJVWYQOU-UHFFFAOYSA-N -1 3 368.706 3.186 20 0 FGADHM O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738163279 598436060 /nfs/dbraw/zinc/43/60/60/598436060.db2.gz KKRPRHPJVWYQOU-UHFFFAOYSA-N -1 3 368.706 3.186 20 0 FGADHM CCN(C(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1)[C@H]1CCCC[C@H]1C ZINC000736502070 598445135 /nfs/dbraw/zinc/44/51/35/598445135.db2.gz JLROYVIPRGDOKI-KEYYUXOJSA-N -1 3 357.458 3.061 20 0 FGADHM CCOc1cc(NC(=O)CCc2ccc(-c3nnn[n-]3)cc2)ccc1C ZINC000736624736 598446937 /nfs/dbraw/zinc/44/69/37/598446937.db2.gz GRTNNOXHPQVFHL-UHFFFAOYSA-N -1 3 351.410 3.145 20 0 FGADHM CCOc1cc(NC(=O)CCc2ccc(-c3nn[n-]n3)cc2)ccc1C ZINC000736624736 598446938 /nfs/dbraw/zinc/44/69/38/598446938.db2.gz GRTNNOXHPQVFHL-UHFFFAOYSA-N -1 3 351.410 3.145 20 0 FGADHM O=C(NC1(c2cccc(C(F)(F)F)c2)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738010766 598447496 /nfs/dbraw/zinc/44/74/96/598447496.db2.gz JGIMZARHWQVPRJ-UHFFFAOYSA-N -1 3 373.338 3.305 20 0 FGADHM O=C(NC1(c2cccc(C(F)(F)F)c2)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738010766 598447497 /nfs/dbraw/zinc/44/74/97/598447497.db2.gz JGIMZARHWQVPRJ-UHFFFAOYSA-N -1 3 373.338 3.305 20 0 FGADHM O=C(c1ccc2[nH]ccc2c1)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000738270029 598459142 /nfs/dbraw/zinc/45/91/42/598459142.db2.gz ODGSWTSSKGNATK-UHFFFAOYSA-N -1 3 358.405 3.153 20 0 FGADHM O=C(c1ccc2[nH]ccc2c1)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000738270029 598459143 /nfs/dbraw/zinc/45/91/43/598459143.db2.gz ODGSWTSSKGNATK-UHFFFAOYSA-N -1 3 358.405 3.153 20 0 FGADHM Fc1cccc(N2CCC[C@H]2c2cccc3c2OCCO3)c1-c1nnn[n-]1 ZINC000737661891 598459232 /nfs/dbraw/zinc/45/92/32/598459232.db2.gz RDXVLXLDLMKBDX-AWEZNQCLSA-N -1 3 367.384 3.119 20 0 FGADHM Fc1cccc(N2CCC[C@H]2c2cccc3c2OCCO3)c1-c1nn[n-]n1 ZINC000737661891 598459233 /nfs/dbraw/zinc/45/92/33/598459233.db2.gz RDXVLXLDLMKBDX-AWEZNQCLSA-N -1 3 367.384 3.119 20 0 FGADHM COc1ccccc1C(C)=CC(=O)OCc1cc(-c2nnn[n-]2)ccc1F ZINC000737143366 598475048 /nfs/dbraw/zinc/47/50/48/598475048.db2.gz VFQDLOOBEHWLQT-XFXZXTDPSA-N -1 3 368.368 3.161 20 0 FGADHM COc1ccccc1C(C)=CC(=O)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000737143366 598475049 /nfs/dbraw/zinc/47/50/49/598475049.db2.gz VFQDLOOBEHWLQT-XFXZXTDPSA-N -1 3 368.368 3.161 20 0 FGADHM COc1ccccc1C(C)=CC(=O)OCc1cccc(-c2nnn[n-]2)c1 ZINC000737140448 598475067 /nfs/dbraw/zinc/47/50/67/598475067.db2.gz DDJXBLUPSXNBIQ-JLHYYAGUSA-N -1 3 350.378 3.022 20 0 FGADHM COc1ccccc1C(C)=CC(=O)OCc1cccc(-c2nn[n-]n2)c1 ZINC000737140448 598475068 /nfs/dbraw/zinc/47/50/68/598475068.db2.gz DDJXBLUPSXNBIQ-JLHYYAGUSA-N -1 3 350.378 3.022 20 0 FGADHM COc1ccc(C=CC(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737082500 598490943 /nfs/dbraw/zinc/49/09/43/598490943.db2.gz WCFLWURWVCAMPR-RUNBWSAHSA-N -1 3 350.378 3.193 20 0 FGADHM COc1ccc(C=CC(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737082500 598490944 /nfs/dbraw/zinc/49/09/44/598490944.db2.gz WCFLWURWVCAMPR-RUNBWSAHSA-N -1 3 350.378 3.193 20 0 FGADHM Cc1nc(C)c(-c2nnn[n-]2)c(SCc2csc(-c3ccoc3)n2)n1 ZINC000737469821 598492560 /nfs/dbraw/zinc/49/25/60/598492560.db2.gz CIFYIQGDODDJGQ-UHFFFAOYSA-N -1 3 371.451 3.282 20 0 FGADHM Cc1cccc(O[C@H](C)C(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000737401650 598492631 /nfs/dbraw/zinc/49/26/31/598492631.db2.gz ONBZYQSWIUTGNQ-ZIAGYGMSSA-N -1 3 352.394 3.247 20 0 FGADHM Cc1cccc(O[C@H](C)C(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737401650 598492632 /nfs/dbraw/zinc/49/26/32/598492632.db2.gz ONBZYQSWIUTGNQ-ZIAGYGMSSA-N -1 3 352.394 3.247 20 0 FGADHM COc1ccc(COCCSc2nc(C)cc(C)c2-c2nnn[n-]2)cc1 ZINC000737098266 598492673 /nfs/dbraw/zinc/49/26/73/598492673.db2.gz TXBXFLAQVXBLAO-UHFFFAOYSA-N -1 3 371.466 3.196 20 0 FGADHM COc1ccc(COCCSc2nc(C)cc(C)c2-c2nn[n-]n2)cc1 ZINC000737098266 598492674 /nfs/dbraw/zinc/49/26/74/598492674.db2.gz TXBXFLAQVXBLAO-UHFFFAOYSA-N -1 3 371.466 3.196 20 0 FGADHM O=C(c1ccc(-c2nnn[n-]2)cn1)N1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000738261582 598496500 /nfs/dbraw/zinc/49/65/00/598496500.db2.gz PJKLSHCAXVTDNO-SFHVURJKSA-N -1 3 373.420 3.110 20 0 FGADHM O=C(c1ccc(-c2nn[n-]n2)cn1)N1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000738261582 598496502 /nfs/dbraw/zinc/49/65/02/598496502.db2.gz PJKLSHCAXVTDNO-SFHVURJKSA-N -1 3 373.420 3.110 20 0 FGADHM CCC[C@H](Cc1ccccc1)NC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000736426466 598517879 /nfs/dbraw/zinc/51/78/79/598517879.db2.gz PUZJKWBLWAKCFU-LJQANCHMSA-N -1 3 363.465 3.327 20 0 FGADHM CCC[C@H](Cc1ccccc1)NC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000736426466 598517880 /nfs/dbraw/zinc/51/78/80/598517880.db2.gz PUZJKWBLWAKCFU-LJQANCHMSA-N -1 3 363.465 3.327 20 0 FGADHM Fc1ccc([C@@H](NCc2cccc(-c3nn[n-]n3)c2)c2ccccn2)cc1 ZINC000737647240 598526614 /nfs/dbraw/zinc/52/66/14/598526614.db2.gz DEKIAHSZPOWTDE-LJQANCHMSA-N -1 3 360.396 3.280 20 0 FGADHM CCCC[C@@H]1CCC[C@@H]1NC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736442299 598528283 /nfs/dbraw/zinc/52/82/83/598528283.db2.gz WHRWBCCZRJWFIP-WBVHZDCISA-N -1 3 356.474 3.367 20 0 FGADHM CCCC[C@@H]1CCC[C@@H]1NC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736442299 598528284 /nfs/dbraw/zinc/52/82/84/598528284.db2.gz WHRWBCCZRJWFIP-WBVHZDCISA-N -1 3 356.474 3.367 20 0 FGADHM CCCC[C@H]1CCC[C@@H]1NC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736442243 598528375 /nfs/dbraw/zinc/52/83/75/598528375.db2.gz VXWUPPOOJNAPFK-RDJZCZTQSA-N -1 3 356.474 3.367 20 0 FGADHM CCCC[C@H]1CCC[C@@H]1NC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736442243 598528377 /nfs/dbraw/zinc/52/83/77/598528377.db2.gz VXWUPPOOJNAPFK-RDJZCZTQSA-N -1 3 356.474 3.367 20 0 FGADHM Cc1nc(CC(C)C)sc1C(=O)OCc1ccccc1-c1nnn[n-]1 ZINC000737474147 598533412 /nfs/dbraw/zinc/53/34/12/598533412.db2.gz MDYKLQSPEWQFPU-UHFFFAOYSA-N -1 3 357.439 3.187 20 0 FGADHM Cc1nc(CC(C)C)sc1C(=O)OCc1ccccc1-c1nn[n-]n1 ZINC000737474147 598533413 /nfs/dbraw/zinc/53/34/13/598533413.db2.gz MDYKLQSPEWQFPU-UHFFFAOYSA-N -1 3 357.439 3.187 20 0 FGADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)[C@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000738113147 598533793 /nfs/dbraw/zinc/53/37/93/598533793.db2.gz VKXNDDSNTJJOPS-UXHICEINSA-N -1 3 369.428 3.440 20 0 FGADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)[C@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000738113147 598533795 /nfs/dbraw/zinc/53/37/95/598533795.db2.gz VKXNDDSNTJJOPS-UXHICEINSA-N -1 3 369.428 3.440 20 0 FGADHM Cc1ccc(C[C@@H](C)NC(=O)CCc2ccc(-c3nnn[n-]3)cc2)c(C)c1 ZINC000737334378 598534984 /nfs/dbraw/zinc/53/49/84/598534984.db2.gz GTBZBYDVCHMMHC-MRXNPFEDSA-N -1 3 363.465 3.164 20 0 FGADHM Cc1ccc(C[C@@H](C)NC(=O)CCc2ccc(-c3nn[n-]n3)cc2)c(C)c1 ZINC000737334378 598534987 /nfs/dbraw/zinc/53/49/87/598534987.db2.gz GTBZBYDVCHMMHC-MRXNPFEDSA-N -1 3 363.465 3.164 20 0 FGADHM CN(C(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1)C1CCCC1 ZINC000736742628 598539680 /nfs/dbraw/zinc/53/96/80/598539680.db2.gz ROVPDOLWUGQABI-UHFFFAOYSA-N -1 3 367.409 3.053 20 0 FGADHM CC(C)C[C@H](C)CC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000735760532 598542778 /nfs/dbraw/zinc/54/27/78/598542778.db2.gz CRHQCZRYWLEAMN-JTQLQIEISA-N -1 3 353.373 3.479 20 0 FGADHM CC(C)C[C@H](C)CC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000735760532 598542780 /nfs/dbraw/zinc/54/27/80/598542780.db2.gz CRHQCZRYWLEAMN-JTQLQIEISA-N -1 3 353.373 3.479 20 0 FGADHM Cc1ccc(C)c(CC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)c1 ZINC000737322749 598543950 /nfs/dbraw/zinc/54/39/50/598543950.db2.gz MWRLMGPVYISHLR-UHFFFAOYSA-N -1 3 373.363 3.266 20 0 FGADHM Cc1ccc(C)c(CC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)c1 ZINC000737322749 598543952 /nfs/dbraw/zinc/54/39/52/598543952.db2.gz MWRLMGPVYISHLR-UHFFFAOYSA-N -1 3 373.363 3.266 20 0 FGADHM C[C@H]1CCC[C@@H](NC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)C1 ZINC000736261288 598560215 /nfs/dbraw/zinc/56/02/15/598560215.db2.gz NIKVUQPYPKANCL-GXSJLCMTSA-N -1 3 366.372 3.168 20 0 FGADHM C[C@H]1CCC[C@@H](NC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)C1 ZINC000736261288 598560217 /nfs/dbraw/zinc/56/02/17/598560217.db2.gz NIKVUQPYPKANCL-GXSJLCMTSA-N -1 3 366.372 3.168 20 0 FGADHM CN(C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)C1CCCCC1 ZINC000736739383 598560270 /nfs/dbraw/zinc/56/02/70/598560270.db2.gz NHVLOOWULHJNCD-UHFFFAOYSA-N -1 3 366.372 3.265 20 0 FGADHM CN(C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)C1CCCCC1 ZINC000736739383 598560272 /nfs/dbraw/zinc/56/02/72/598560272.db2.gz NHVLOOWULHJNCD-UHFFFAOYSA-N -1 3 366.372 3.265 20 0 FGADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)N1CCCc2c(Cl)ccc(F)c21 ZINC000737960358 598570454 /nfs/dbraw/zinc/57/04/54/598570454.db2.gz FAJQLDQKHCVWDD-UHFFFAOYSA-N -1 3 371.803 3.181 20 0 FGADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)N1CCCc2c(Cl)ccc(F)c21 ZINC000737960358 598570455 /nfs/dbraw/zinc/57/04/55/598570455.db2.gz FAJQLDQKHCVWDD-UHFFFAOYSA-N -1 3 371.803 3.181 20 0 FGADHM O=C(NC1CCCCCCC1)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738027340 598570495 /nfs/dbraw/zinc/57/04/95/598570495.db2.gz ZZULZSYSGWUWMV-SFHVURJKSA-N -1 3 368.485 3.065 20 0 FGADHM O=C(c1sccc1-c1nnn[n-]1)N1CCCc2c(Cl)ccc(F)c21 ZINC000738290029 598570567 /nfs/dbraw/zinc/57/05/67/598570567.db2.gz MHFWRRLKKOCCDM-UHFFFAOYSA-N -1 3 363.805 3.314 20 0 FGADHM O=C(c1sccc1-c1nn[n-]n1)N1CCCc2c(Cl)ccc(F)c21 ZINC000738290029 598570569 /nfs/dbraw/zinc/57/05/69/598570569.db2.gz MHFWRRLKKOCCDM-UHFFFAOYSA-N -1 3 363.805 3.314 20 0 FGADHM O=C(Nc1ccccc1-c1nnn[n-]1)c1ccc(Oc2ccccc2)nc1 ZINC000738191383 598573617 /nfs/dbraw/zinc/57/36/17/598573617.db2.gz IOMDSDHNWQBBPL-UHFFFAOYSA-N -1 3 358.361 3.306 20 0 FGADHM O=C(Nc1ccccc1-c1nn[n-]n1)c1ccc(Oc2ccccc2)nc1 ZINC000738191383 598573618 /nfs/dbraw/zinc/57/36/18/598573618.db2.gz IOMDSDHNWQBBPL-UHFFFAOYSA-N -1 3 358.361 3.306 20 0 FGADHM Cc1sc(-c2ccco2)nc1C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000737562466 598574852 /nfs/dbraw/zinc/57/48/52/598574852.db2.gz NCYIZLWDTKQFJM-UHFFFAOYSA-N -1 3 352.379 3.144 20 0 FGADHM Cc1sc(-c2ccco2)nc1C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000737562466 598574853 /nfs/dbraw/zinc/57/48/53/598574853.db2.gz NCYIZLWDTKQFJM-UHFFFAOYSA-N -1 3 352.379 3.144 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1cc(Br)cs1 ZINC000738168276 598584710 /nfs/dbraw/zinc/58/47/10/598584710.db2.gz XVKRVTPENCMGCB-UHFFFAOYSA-N -1 3 368.191 3.082 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1cc(Br)cs1 ZINC000738168276 598584711 /nfs/dbraw/zinc/58/47/11/598584711.db2.gz XVKRVTPENCMGCB-UHFFFAOYSA-N -1 3 368.191 3.082 20 0 FGADHM Fc1ccc(-c2noc(C=Cc3ccccc3-c3nnn[n-]3)n2)cc1F ZINC000737652589 598610316 /nfs/dbraw/zinc/61/03/16/598610316.db2.gz VIWUUTDGUIDMHU-SOFGYWHQSA-N -1 3 352.304 3.365 20 0 FGADHM Fc1ccc(-c2noc(C=Cc3ccccc3-c3nn[n-]n3)n2)cc1F ZINC000737652589 598610318 /nfs/dbraw/zinc/61/03/18/598610318.db2.gz VIWUUTDGUIDMHU-SOFGYWHQSA-N -1 3 352.304 3.365 20 0 FGADHM Cc1ccc2c(c1C)OC[C@H]2NC(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000737293296 598623889 /nfs/dbraw/zinc/62/38/89/598623889.db2.gz ALMVPYHDMFNDAT-MRXNPFEDSA-N -1 3 364.409 3.047 20 0 FGADHM Cc1ccc2c(c1C)OC[C@H]2NC(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000737293296 598623890 /nfs/dbraw/zinc/62/38/90/598623890.db2.gz ALMVPYHDMFNDAT-MRXNPFEDSA-N -1 3 364.409 3.047 20 0 FGADHM C[C@@H]1C[C@@H]1c1ccc(CNC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)o1 ZINC000736235262 598628640 /nfs/dbraw/zinc/62/86/40/598628640.db2.gz FHMJADWOPGJQAX-SKDRFNHKSA-N -1 3 356.361 3.044 20 0 FGADHM C[C@@H]1C[C@@H]1c1ccc(CNC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)o1 ZINC000736235262 598628642 /nfs/dbraw/zinc/62/86/42/598628642.db2.gz FHMJADWOPGJQAX-SKDRFNHKSA-N -1 3 356.361 3.044 20 0 FGADHM C[C@H](c1ccc(F)cc1)N(C)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736198819 598631971 /nfs/dbraw/zinc/63/19/71/598631971.db2.gz KWNJAXRQIJXGPL-SNVBAGLBSA-N -1 3 358.352 3.370 20 0 FGADHM C[C@H](c1ccc(F)cc1)N(C)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736198819 598631972 /nfs/dbraw/zinc/63/19/72/598631972.db2.gz KWNJAXRQIJXGPL-SNVBAGLBSA-N -1 3 358.352 3.370 20 0 FGADHM O=C(NC[C@@H]1CCCc2ccccc21)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738048259 598632969 /nfs/dbraw/zinc/63/29/69/598632969.db2.gz DYEDKEKNJPOPQM-ZDUSSCGKSA-N -1 3 366.400 3.247 20 0 FGADHM O=C(NC[C@@H]1CCCc2ccccc21)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738048259 598632971 /nfs/dbraw/zinc/63/29/71/598632971.db2.gz DYEDKEKNJPOPQM-ZDUSSCGKSA-N -1 3 366.400 3.247 20 0 FGADHM Fc1ccc(CSc2nc3cc(Cl)cnc3[nH]2)c(-c2nnn[n-]2)c1 ZINC000737651610 598643898 /nfs/dbraw/zinc/64/38/98/598643898.db2.gz YEYYHTQGBUCJDF-UHFFFAOYSA-N -1 3 361.793 3.223 20 0 FGADHM Fc1ccc(CSc2nc3cc(Cl)cnc3[nH]2)c(-c2nn[n-]n2)c1 ZINC000737651610 598643899 /nfs/dbraw/zinc/64/38/99/598643899.db2.gz YEYYHTQGBUCJDF-UHFFFAOYSA-N -1 3 361.793 3.223 20 0 FGADHM O=C(CC[C@@H]1CCCCO1)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000737827145 598647537 /nfs/dbraw/zinc/64/75/37/598647537.db2.gz XANRLGIMIPUQLU-NSHDSACASA-N -1 3 361.471 3.095 20 0 FGADHM O=C(CC[C@@H]1CCCCO1)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000737827145 598647539 /nfs/dbraw/zinc/64/75/39/598647539.db2.gz XANRLGIMIPUQLU-NSHDSACASA-N -1 3 361.471 3.095 20 0 FGADHM CCOC(=O)N[C@@H](CNc1ccc(-c2nnn[n-]2)c(Cl)c1)CC(C)C ZINC000736600038 598650151 /nfs/dbraw/zinc/65/01/51/598650151.db2.gz HGKSQKRDYPUOHC-GFCCVEGCSA-N -1 3 366.853 3.093 20 0 FGADHM CCOC(=O)N[C@@H](CNc1ccc(-c2nn[n-]n2)c(Cl)c1)CC(C)C ZINC000736600038 598650154 /nfs/dbraw/zinc/65/01/54/598650154.db2.gz HGKSQKRDYPUOHC-GFCCVEGCSA-N -1 3 366.853 3.093 20 0 FGADHM CC1(NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)CCCCC1 ZINC000736215801 598654696 /nfs/dbraw/zinc/65/46/96/598654696.db2.gz BHGFJIQWNVQZAY-UHFFFAOYSA-N -1 3 357.458 3.255 20 0 FGADHM CC1(NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)CCCCC1 ZINC000736215801 598654698 /nfs/dbraw/zinc/65/46/98/598654698.db2.gz BHGFJIQWNVQZAY-UHFFFAOYSA-N -1 3 357.458 3.255 20 0 FGADHM CC[C@H](Sc1ccccc1)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000736392363 598665133 /nfs/dbraw/zinc/66/51/33/598665133.db2.gz RAFWDQUTVGQYHM-INIZCTEOSA-N -1 3 371.441 3.193 20 0 FGADHM CC[C@H](Sc1ccccc1)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000736392363 598665135 /nfs/dbraw/zinc/66/51/35/598665135.db2.gz RAFWDQUTVGQYHM-INIZCTEOSA-N -1 3 371.441 3.193 20 0 FGADHM O=C(c1sccc1-c1nnn[n-]1)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000738291589 598670395 /nfs/dbraw/zinc/67/03/95/598670395.db2.gz HYRIJXAWSFKZHY-NSHDSACASA-N -1 3 359.842 3.211 20 0 FGADHM O=C(c1sccc1-c1nn[n-]n1)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000738291589 598670397 /nfs/dbraw/zinc/67/03/97/598670397.db2.gz HYRIJXAWSFKZHY-NSHDSACASA-N -1 3 359.842 3.211 20 0 FGADHM O=C(Nc1cc(C2CC2)[nH]n1)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000738147432 598700855 /nfs/dbraw/zinc/70/08/55/598700855.db2.gz WHCFJAUKODYISO-UHFFFAOYSA-N -1 3 371.404 3.387 20 0 FGADHM O=C(Nc1cc(C2CC2)[nH]n1)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000738147432 598700856 /nfs/dbraw/zinc/70/08/56/598700856.db2.gz WHCFJAUKODYISO-UHFFFAOYSA-N -1 3 371.404 3.387 20 0 FGADHM C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)N1Cc1cc(-c2nn[n-]n2)ccc1F ZINC000736295332 598706128 /nfs/dbraw/zinc/70/61/28/598706128.db2.gz UKKKWJQUWQWBBF-LPMFXHHGSA-N -1 3 367.428 3.356 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)c1ccc(Cl)nc1Cl ZINC000738236427 598711524 /nfs/dbraw/zinc/71/15/24/598711524.db2.gz YVHLWSPPMZXGQN-UHFFFAOYSA-N -1 3 368.155 3.065 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)c1ccc(Cl)nc1Cl ZINC000738236427 598711526 /nfs/dbraw/zinc/71/15/26/598711526.db2.gz YVHLWSPPMZXGQN-UHFFFAOYSA-N -1 3 368.155 3.065 20 0 FGADHM CC[C@@H](CC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC)c1ccccc1 ZINC000736331750 598737494 /nfs/dbraw/zinc/73/74/94/598737494.db2.gz KJAZBUCFILMFSF-ZDUSSCGKSA-N -1 3 351.410 3.398 20 0 FGADHM CC[C@@H](CC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC)c1ccccc1 ZINC000736331750 598737495 /nfs/dbraw/zinc/73/74/95/598737495.db2.gz KJAZBUCFILMFSF-ZDUSSCGKSA-N -1 3 351.410 3.398 20 0 FGADHM Cc1sc(NC(=O)c2ncoc2-c2ccccc2)c(-c2nnn[n-]2)c1C ZINC000737565685 598742279 /nfs/dbraw/zinc/74/22/79/598742279.db2.gz WAGKVJAIZYHLBW-UHFFFAOYSA-N -1 3 366.406 3.452 20 0 FGADHM Cc1sc(NC(=O)c2ncoc2-c2ccccc2)c(-c2nn[n-]n2)c1C ZINC000737565685 598742280 /nfs/dbraw/zinc/74/22/80/598742280.db2.gz WAGKVJAIZYHLBW-UHFFFAOYSA-N -1 3 366.406 3.452 20 0 FGADHM CC(C)(C)CCCC(=O)N1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000735604348 598749710 /nfs/dbraw/zinc/74/97/10/598749710.db2.gz VLOHSPNMSUAHBC-UHFFFAOYSA-N -1 3 370.501 3.122 20 0 FGADHM CC(C)(C)CCCC(=O)N1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000735604348 598749712 /nfs/dbraw/zinc/74/97/12/598749712.db2.gz VLOHSPNMSUAHBC-UHFFFAOYSA-N -1 3 370.501 3.122 20 0 FGADHM Cc1ccccc1[C@@H](NC(=O)CCc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000737424728 598764705 /nfs/dbraw/zinc/76/47/05/598764705.db2.gz WZHOISOLTNSXBH-FQEVSTJZSA-N -1 3 361.449 3.375 20 0 FGADHM Cc1ccccc1[C@@H](NC(=O)CCc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000737424728 598764707 /nfs/dbraw/zinc/76/47/07/598764707.db2.gz WZHOISOLTNSXBH-FQEVSTJZSA-N -1 3 361.449 3.375 20 0 FGADHM CN(Cc1ccccc1F)c1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21 ZINC000736829208 598770786 /nfs/dbraw/zinc/77/07/86/598770786.db2.gz WRHSNIWMFHIOFK-UHFFFAOYSA-N -1 3 370.338 3.469 20 0 FGADHM CN(Cc1ccccc1F)c1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21 ZINC000736829208 598770787 /nfs/dbraw/zinc/77/07/87/598770787.db2.gz WRHSNIWMFHIOFK-UHFFFAOYSA-N -1 3 370.338 3.469 20 0 FGADHM CCC(=CC(=O)OCCOc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000736304842 598780264 /nfs/dbraw/zinc/78/02/64/598780264.db2.gz REUIZIHWOUDXOV-PFONDFGASA-N -1 3 364.405 3.282 20 0 FGADHM CCC(=CC(=O)OCCOc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000736304842 598780265 /nfs/dbraw/zinc/78/02/65/598780265.db2.gz REUIZIHWOUDXOV-PFONDFGASA-N -1 3 364.405 3.282 20 0 FGADHM CCCNC(=S)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736487795 598788827 /nfs/dbraw/zinc/78/88/27/598788827.db2.gz JZUSQVRASSQPFQ-UHFFFAOYSA-N -1 3 354.439 3.355 20 0 FGADHM CCCNC(=S)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736487795 598788828 /nfs/dbraw/zinc/78/88/28/598788828.db2.gz JZUSQVRASSQPFQ-UHFFFAOYSA-N -1 3 354.439 3.355 20 0 FGADHM CC[C@@H](OC1CCCC1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC000736380146 598804087 /nfs/dbraw/zinc/80/40/87/598804087.db2.gz WODJDFNRXCOGAX-MRXNPFEDSA-N -1 3 373.457 3.330 20 0 FGADHM CC[C@@H](OC1CCCC1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC000736380146 598804090 /nfs/dbraw/zinc/80/40/90/598804090.db2.gz WODJDFNRXCOGAX-MRXNPFEDSA-N -1 3 373.457 3.330 20 0 FGADHM COc1ccc2cc([C@H](C)C(=O)Nc3ccc(-c4nnn[n-]4)cn3)ccc2c1 ZINC000737121156 598804428 /nfs/dbraw/zinc/80/44/28/598804428.db2.gz WTNMCWKLKYJSBU-LBPRGKRZSA-N -1 3 374.404 3.166 20 0 FGADHM COc1ccc2cc([C@H](C)C(=O)Nc3ccc(-c4nn[n-]n4)cn3)ccc2c1 ZINC000737121156 598804430 /nfs/dbraw/zinc/80/44/30/598804430.db2.gz WTNMCWKLKYJSBU-LBPRGKRZSA-N -1 3 374.404 3.166 20 0 FGADHM C[C@@H]1CCCC[C@H]1CC(=O)Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000736263619 598808632 /nfs/dbraw/zinc/80/86/32/598808632.db2.gz RNNJDYFJXITWQB-HIFRSBDPSA-N -1 3 365.441 3.207 20 0 FGADHM O=C(CCCCCc1ccc(O)cc1)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000737826272 598816709 /nfs/dbraw/zinc/81/67/09/598816709.db2.gz RTVUXTHTRBPBLG-UHFFFAOYSA-N -1 3 366.421 3.419 20 0 FGADHM O=C(CCCCCc1ccc(O)cc1)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000737826272 598816711 /nfs/dbraw/zinc/81/67/11/598816711.db2.gz RTVUXTHTRBPBLG-UHFFFAOYSA-N -1 3 366.421 3.419 20 0 FGADHM CCc1sc(=O)n(Cc2ccc(-c3nnn[n-]3)cc2)c1-c1ccccc1 ZINC000736712942 598818947 /nfs/dbraw/zinc/81/89/47/598818947.db2.gz IQDUOYUDSGYWCV-UHFFFAOYSA-N -1 3 363.446 3.368 20 0 FGADHM CCc1sc(=O)n(Cc2ccc(-c3nn[n-]n3)cc2)c1-c1ccccc1 ZINC000736712942 598818949 /nfs/dbraw/zinc/81/89/49/598818949.db2.gz IQDUOYUDSGYWCV-UHFFFAOYSA-N -1 3 363.446 3.368 20 0 FGADHM O[C@H](CNc1ccc(-c2nn[n-]n2)cc1F)c1cc(Cl)cc(Cl)c1 ZINC000738383070 599306094 /nfs/dbraw/zinc/30/60/94/599306094.db2.gz NPNMGSLEUDNADZ-CQSZACIVSA-N -1 3 368.199 3.458 20 0 FGADHM CCN(C(=O)c1ccccc1OC(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000736509037 599314197 /nfs/dbraw/zinc/31/41/97/599314197.db2.gz QXRVTQJUUDZTOP-UHFFFAOYSA-N -1 3 359.336 3.135 20 0 FGADHM CCN(C(=O)c1ccccc1OC(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000736509037 599314199 /nfs/dbraw/zinc/31/41/99/599314199.db2.gz QXRVTQJUUDZTOP-UHFFFAOYSA-N -1 3 359.336 3.135 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NCCCOc1cccc(Cl)c1 ZINC000737063331 599328931 /nfs/dbraw/zinc/32/89/31/599328931.db2.gz WQYFEQXYIROVHX-UHFFFAOYSA-N -1 3 359.817 3.410 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NCCCOc1cccc(Cl)c1 ZINC000737063331 599328934 /nfs/dbraw/zinc/32/89/34/599328934.db2.gz WQYFEQXYIROVHX-UHFFFAOYSA-N -1 3 359.817 3.410 20 0 FGADHM C[C@@H](S[C@@H](C)C(=O)NCc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736187961 599330194 /nfs/dbraw/zinc/33/01/94/599330194.db2.gz FBHBCURIPRLPMR-KGLIPLIRSA-N -1 3 367.478 3.366 20 0 FGADHM C[C@@H](S[C@@H](C)C(=O)NCc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736187961 599330197 /nfs/dbraw/zinc/33/01/97/599330197.db2.gz FBHBCURIPRLPMR-KGLIPLIRSA-N -1 3 367.478 3.366 20 0 FGADHM Fc1ccc(NCCOc2cccc(-c3nnn[n-]3)c2)c(OC(F)F)c1 ZINC000737656974 599331279 /nfs/dbraw/zinc/33/12/79/599331279.db2.gz RMKLXSYRUDHJSG-UHFFFAOYSA-N -1 3 365.315 3.098 20 0 FGADHM Fc1ccc(NCCOc2cccc(-c3nn[n-]n3)c2)c(OC(F)F)c1 ZINC000737656974 599331281 /nfs/dbraw/zinc/33/12/81/599331281.db2.gz RMKLXSYRUDHJSG-UHFFFAOYSA-N -1 3 365.315 3.098 20 0 FGADHM C[C@@H](OC(=O)[C@@H]1CSc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000736151780 599339455 /nfs/dbraw/zinc/33/94/55/599339455.db2.gz MLDDAENWDZQQBH-IAQYHMDHSA-N -1 3 352.419 3.360 20 0 FGADHM C[C@@H](OC(=O)[C@@H]1CSc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000736151780 599339458 /nfs/dbraw/zinc/33/94/58/599339458.db2.gz MLDDAENWDZQQBH-IAQYHMDHSA-N -1 3 352.419 3.360 20 0 FGADHM Clc1cccc(CSc2nc3c(cc2-c2nnn[n-]2)CCCC3)n1 ZINC000822585969 599342871 /nfs/dbraw/zinc/34/28/71/599342871.db2.gz PJMNMWCPTFTOBA-UHFFFAOYSA-N -1 3 358.858 3.481 20 0 FGADHM Clc1cccc(CSc2nc3c(cc2-c2nn[n-]n2)CCCC3)n1 ZINC000822585969 599342873 /nfs/dbraw/zinc/34/28/73/599342873.db2.gz PJMNMWCPTFTOBA-UHFFFAOYSA-N -1 3 358.858 3.481 20 0 FGADHM Cc1ccc(N2CC[C@H](Sc3ccccc3-c3nnn[n-]3)C2=O)cc1 ZINC000822241228 599347899 /nfs/dbraw/zinc/34/78/99/599347899.db2.gz OYAGUYWKQWFSFG-INIZCTEOSA-N -1 3 351.435 3.073 20 0 FGADHM Cc1ccc(N2CC[C@H](Sc3ccccc3-c3nn[n-]n3)C2=O)cc1 ZINC000822241228 599347900 /nfs/dbraw/zinc/34/79/00/599347900.db2.gz OYAGUYWKQWFSFG-INIZCTEOSA-N -1 3 351.435 3.073 20 0 FGADHM O=C(CSc1ccccc1-c1nnn[n-]1)N(Cc1ccccc1)C1CC1 ZINC000823070823 599348065 /nfs/dbraw/zinc/34/80/65/599348065.db2.gz PTZHLCOMFYYCAL-UHFFFAOYSA-N -1 3 365.462 3.150 20 0 FGADHM O=C(CSc1ccccc1-c1nn[n-]n1)N(Cc1ccccc1)C1CC1 ZINC000823070823 599348067 /nfs/dbraw/zinc/34/80/67/599348067.db2.gz PTZHLCOMFYYCAL-UHFFFAOYSA-N -1 3 365.462 3.150 20 0 FGADHM C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736246149 599348479 /nfs/dbraw/zinc/34/84/79/599348479.db2.gz ZYDOUOMHPPGRAL-JYAVWHMHSA-N -1 3 359.478 3.369 20 0 FGADHM C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736246149 599348480 /nfs/dbraw/zinc/34/84/80/599348480.db2.gz ZYDOUOMHPPGRAL-JYAVWHMHSA-N -1 3 359.478 3.369 20 0 FGADHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(N3CCC4(C3)CCOCC4)c2c1 ZINC000822195663 599357608 /nfs/dbraw/zinc/35/76/08/599357608.db2.gz ZXPUQECQXBVZPU-UHFFFAOYSA-N -1 3 364.453 3.039 20 0 FGADHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(N3CCC4(C3)CCOCC4)c2c1 ZINC000822195663 599357610 /nfs/dbraw/zinc/35/76/10/599357610.db2.gz ZXPUQECQXBVZPU-UHFFFAOYSA-N -1 3 364.453 3.039 20 0 FGADHM CSCCCC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000737181010 599372210 /nfs/dbraw/zinc/37/22/10/599372210.db2.gz JIMCIRLEGFVUKM-UHFFFAOYSA-N -1 3 370.438 3.136 20 0 FGADHM CSCCCC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000737181010 599372212 /nfs/dbraw/zinc/37/22/12/599372212.db2.gz JIMCIRLEGFVUKM-UHFFFAOYSA-N -1 3 370.438 3.136 20 0 FGADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)C1(c2ccccc2F)CC1 ZINC000738163901 599373449 /nfs/dbraw/zinc/37/34/49/599373449.db2.gz RFUMHMHHRITWBN-UHFFFAOYSA-N -1 3 357.776 3.330 20 0 FGADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)C1(c2ccccc2F)CC1 ZINC000738163901 599373452 /nfs/dbraw/zinc/37/34/52/599373452.db2.gz RFUMHMHHRITWBN-UHFFFAOYSA-N -1 3 357.776 3.330 20 0 FGADHM Cc1ccc(Cl)cc1NC(=O)COc1c(C)cc(-c2nn[n-]n2)cc1C ZINC000822240098 599387046 /nfs/dbraw/zinc/38/70/46/599387046.db2.gz RWMZIZFQYQPVME-UHFFFAOYSA-N -1 3 371.828 3.463 20 0 FGADHM Cc1cc(Cl)ccc1NC(=O)COc1c(C)cc(-c2nn[n-]n2)cc1C ZINC000822202308 599387404 /nfs/dbraw/zinc/38/74/04/599387404.db2.gz VDZWPALDBDNTLT-UHFFFAOYSA-N -1 3 371.828 3.463 20 0 FGADHM COC(=O)[C@@H](N[C@H](C)c1cccc(-c2nnn[n-]2)c1)c1cccc(Cl)c1 ZINC000821640945 599390516 /nfs/dbraw/zinc/39/05/16/599390516.db2.gz SJIGCPANNZXOAR-BZNIZROVSA-N -1 3 371.828 3.085 20 0 FGADHM COC(=O)[C@@H](N[C@H](C)c1cccc(-c2nn[n-]n2)c1)c1cccc(Cl)c1 ZINC000821640945 599390518 /nfs/dbraw/zinc/39/05/18/599390518.db2.gz SJIGCPANNZXOAR-BZNIZROVSA-N -1 3 371.828 3.085 20 0 FGADHM CC(C)(NCc1ccc(-c2nnn[n-]2)o1)c1ccc(Br)cc1 ZINC000819987685 599402875 /nfs/dbraw/zinc/40/28/75/599402875.db2.gz GLFXEFYUOKZIMV-UHFFFAOYSA-N -1 3 362.231 3.247 20 0 FGADHM CC(C)Oc1ccc(NCCCOCC(F)(F)F)cc1-c1nnn[n-]1 ZINC000820173926 607374208 /nfs/dbraw/zinc/37/42/08/607374208.db2.gz NJWVVUNDEFWTNP-UHFFFAOYSA-N -1 3 359.352 3.035 20 0 FGADHM CC(C)Oc1ccc(NCCCOCC(F)(F)F)cc1-c1nn[n-]n1 ZINC000820173926 607374210 /nfs/dbraw/zinc/37/42/10/607374210.db2.gz NJWVVUNDEFWTNP-UHFFFAOYSA-N -1 3 359.352 3.035 20 0 FGADHM Cc1cc([C@@H](C)NC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)c(C)s1 ZINC000822191573 599407647 /nfs/dbraw/zinc/40/76/47/599407647.db2.gz KKBGSRFDJRMDJY-SNVBAGLBSA-N -1 3 374.445 3.245 20 0 FGADHM Cc1cc([C@@H](C)NC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)c(C)s1 ZINC000822191573 599407649 /nfs/dbraw/zinc/40/76/49/599407649.db2.gz KKBGSRFDJRMDJY-SNVBAGLBSA-N -1 3 374.445 3.245 20 0 FGADHM O=C(CC/C=C/c1ccccc1)OCC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826405627 607375184 /nfs/dbraw/zinc/37/51/84/607375184.db2.gz MYEPZOJRJJOUSG-RUDMXATFSA-N -1 3 362.389 3.086 20 0 FGADHM O=C(CC/C=C/c1ccccc1)OCC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826405627 607375186 /nfs/dbraw/zinc/37/51/86/607375186.db2.gz MYEPZOJRJJOUSG-RUDMXATFSA-N -1 3 362.389 3.086 20 0 FGADHM COc1ccccc1OCCN(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000737152102 599415032 /nfs/dbraw/zinc/41/50/32/599415032.db2.gz NYMVSVBVZLWGQO-UHFFFAOYSA-N -1 3 359.817 3.044 20 0 FGADHM COc1ccccc1OCCN(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000737152102 599415033 /nfs/dbraw/zinc/41/50/33/599415033.db2.gz NYMVSVBVZLWGQO-UHFFFAOYSA-N -1 3 359.817 3.044 20 0 FGADHM C[C@@H](CNC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC000820259669 599470322 /nfs/dbraw/zinc/47/03/22/599470322.db2.gz AWBKCKHSEFCQCI-QWHCGFSZSA-N -1 3 368.416 3.170 20 0 FGADHM C[C@@H](CNC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC000820259669 599470324 /nfs/dbraw/zinc/47/03/24/599470324.db2.gz AWBKCKHSEFCQCI-QWHCGFSZSA-N -1 3 368.416 3.170 20 0 FGADHM O=C(CN1CCCCC[C@H]1c1ccco1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000737873083 599478535 /nfs/dbraw/zinc/47/85/35/599478535.db2.gz KOGFJVIUROYOBX-INIZCTEOSA-N -1 3 366.425 3.016 20 0 FGADHM C[C@H](NC(=O)N1CCC(C(C)(C)C)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820342432 599482969 /nfs/dbraw/zinc/48/29/69/599482969.db2.gz UKNGTHQUSNYDOU-ZDUSSCGKSA-N -1 3 356.474 3.395 20 0 FGADHM C[C@H](NC(=O)N1CCC(C(C)(C)C)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820342432 599482971 /nfs/dbraw/zinc/48/29/71/599482971.db2.gz UKNGTHQUSNYDOU-ZDUSSCGKSA-N -1 3 356.474 3.395 20 0 FGADHM Fc1ccc(N2CC[C@@H](CNc3ccc(F)cc3-c3nnn[n-]3)C2)cc1 ZINC000822778151 599493587 /nfs/dbraw/zinc/49/35/87/599493587.db2.gz DQAQBJCMQOTVTN-LBPRGKRZSA-N -1 3 356.380 3.083 20 0 FGADHM Fc1ccc(N2CC[C@@H](CNc3ccc(F)cc3-c3nn[n-]n3)C2)cc1 ZINC000822778151 599493589 /nfs/dbraw/zinc/49/35/89/599493589.db2.gz DQAQBJCMQOTVTN-LBPRGKRZSA-N -1 3 356.380 3.083 20 0 FGADHM O=C(OCc1cn2ccccc2c1-c1nnn[n-]1)c1cc2occc2s1 ZINC000738233824 599500575 /nfs/dbraw/zinc/50/05/75/599500575.db2.gz HHVYHOMZJMFKBW-UHFFFAOYSA-N -1 3 365.374 3.284 20 0 FGADHM O=C(OCc1cn2ccccc2c1-c1nn[n-]n1)c1cc2occc2s1 ZINC000738233824 599500578 /nfs/dbraw/zinc/50/05/78/599500578.db2.gz HHVYHOMZJMFKBW-UHFFFAOYSA-N -1 3 365.374 3.284 20 0 FGADHM C[C@@H](NC(=O)C=Cc1ccc(Cl)s1)c1cccc(-c2nnn[n-]2)c1 ZINC000820322762 599501337 /nfs/dbraw/zinc/50/13/37/599501337.db2.gz VIIRTLGWCINBNL-QEHWCHDUSA-N -1 3 359.842 3.472 20 0 FGADHM C[C@@H](NC(=O)C=Cc1ccc(Cl)s1)c1cccc(-c2nn[n-]n2)c1 ZINC000820322762 599501339 /nfs/dbraw/zinc/50/13/39/599501339.db2.gz VIIRTLGWCINBNL-QEHWCHDUSA-N -1 3 359.842 3.472 20 0 FGADHM Cc1ccc(C(=O)CCC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)s1 ZINC000822224849 599503099 /nfs/dbraw/zinc/50/30/99/599503099.db2.gz CMDIWPLWZZPVMZ-GFCCVEGCSA-N -1 3 369.450 3.077 20 0 FGADHM Cc1ccc(C(=O)CCC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)s1 ZINC000822224849 599503100 /nfs/dbraw/zinc/50/31/00/599503100.db2.gz CMDIWPLWZZPVMZ-GFCCVEGCSA-N -1 3 369.450 3.077 20 0 FGADHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1N1CCc2ccccc2CC1 ZINC000737627904 599527585 /nfs/dbraw/zinc/52/75/85/599527585.db2.gz RKNGVHQWZAKNAO-UHFFFAOYSA-N -1 3 359.355 3.491 20 0 FGADHM CC[C@@H](Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)c1nccs1 ZINC000736371867 599530249 /nfs/dbraw/zinc/53/02/49/599530249.db2.gz YOYQLZRWKHHVSE-MRVPVSSYSA-N -1 3 355.349 3.300 20 0 FGADHM CC[C@@H](Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)c1nccs1 ZINC000736371867 599530250 /nfs/dbraw/zinc/53/02/50/599530250.db2.gz YOYQLZRWKHHVSE-MRVPVSSYSA-N -1 3 355.349 3.300 20 0 FGADHM O=C(c1ccc(F)cc1)[C@@H]1CCCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000738266735 599532958 /nfs/dbraw/zinc/53/29/58/599532958.db2.gz KCZBYJZMZPOCCD-CYBMUJFWSA-N -1 3 369.375 3.244 20 0 FGADHM O=C(c1ccc(F)cc1)[C@@H]1CCCN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000738266735 599532961 /nfs/dbraw/zinc/53/29/61/599532961.db2.gz KCZBYJZMZPOCCD-CYBMUJFWSA-N -1 3 369.375 3.244 20 0 FGADHM C[C@H](Cc1ccc(F)cc1)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820293245 599533042 /nfs/dbraw/zinc/53/30/42/599533042.db2.gz JPKIVJPKWFUSME-OLZOCXBDSA-N -1 3 353.401 3.062 20 0 FGADHM C[C@H](Cc1ccc(F)cc1)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820293245 599533046 /nfs/dbraw/zinc/53/30/46/599533046.db2.gz JPKIVJPKWFUSME-OLZOCXBDSA-N -1 3 353.401 3.062 20 0 FGADHM C[C@@H](Cc1ccc(F)cc1)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820293247 599533368 /nfs/dbraw/zinc/53/33/68/599533368.db2.gz JPKIVJPKWFUSME-STQMWFEESA-N -1 3 353.401 3.062 20 0 FGADHM C[C@@H](Cc1ccc(F)cc1)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820293247 599533370 /nfs/dbraw/zinc/53/33/70/599533370.db2.gz JPKIVJPKWFUSME-STQMWFEESA-N -1 3 353.401 3.062 20 0 FGADHM C[C@H](NC(=O)c1ccc(Br)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820397920 599534360 /nfs/dbraw/zinc/53/43/60/599534360.db2.gz XBGMYJMYOHJMNW-JTQLQIEISA-N -1 3 372.226 3.120 20 0 FGADHM C[C@H](NC(=O)c1ccc(Br)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820397920 599534364 /nfs/dbraw/zinc/53/43/64/599534364.db2.gz XBGMYJMYOHJMNW-JTQLQIEISA-N -1 3 372.226 3.120 20 0 FGADHM C[C@H](NC(=O)COc1cccc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820327718 599544317 /nfs/dbraw/zinc/54/43/17/599544317.db2.gz IWURRVKALIOURM-AWEZNQCLSA-N -1 3 373.416 3.276 20 0 FGADHM C[C@H](NC(=O)COc1cccc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820327718 599544319 /nfs/dbraw/zinc/54/43/19/599544319.db2.gz IWURRVKALIOURM-AWEZNQCLSA-N -1 3 373.416 3.276 20 0 FGADHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2N1CCC(OC(C)C)CC1 ZINC000822204215 599544913 /nfs/dbraw/zinc/54/49/13/599544913.db2.gz IFIRCCZLIFUJDX-UHFFFAOYSA-N -1 3 370.432 3.256 20 0 FGADHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2N1CCC(OC(C)C)CC1 ZINC000822204215 599544915 /nfs/dbraw/zinc/54/49/15/599544915.db2.gz IFIRCCZLIFUJDX-UHFFFAOYSA-N -1 3 370.432 3.256 20 0 FGADHM Cc1cccc(C2(C(=O)N[C@H](C)c3cccc(-c4nnn[n-]4)c3)CCC2)c1 ZINC000822299860 599545400 /nfs/dbraw/zinc/54/54/00/599545400.db2.gz XFVMYHCLLDZOEX-OAHLLOKOSA-N -1 3 361.449 3.474 20 0 FGADHM Cc1cccc(C2(C(=O)N[C@H](C)c3cccc(-c4nn[n-]n4)c3)CCC2)c1 ZINC000822299860 599545402 /nfs/dbraw/zinc/54/54/02/599545402.db2.gz XFVMYHCLLDZOEX-OAHLLOKOSA-N -1 3 361.449 3.474 20 0 FGADHM O=C(CC/C=C/c1ccccc1)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737824656 599546481 /nfs/dbraw/zinc/54/64/81/599546481.db2.gz HGSVGAKXHNZMIQ-XBXARRHUSA-N -1 3 351.385 3.116 20 0 FGADHM O=C(CC/C=C/c1ccccc1)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737824656 599546483 /nfs/dbraw/zinc/54/64/83/599546483.db2.gz HGSVGAKXHNZMIQ-XBXARRHUSA-N -1 3 351.385 3.116 20 0 FGADHM C[C@@H]1CCN(C(=O)Cc2ccc(-c3nnn[n-]3)cc2)[C@H](c2ccco2)C1 ZINC000820715946 599549879 /nfs/dbraw/zinc/54/98/79/599549879.db2.gz FXUODKAHUQOZIA-CJNGLKHVSA-N -1 3 351.410 3.002 20 0 FGADHM C[C@@H]1CCN(C(=O)Cc2ccc(-c3nn[n-]n3)cc2)[C@H](c2ccco2)C1 ZINC000820715946 599549881 /nfs/dbraw/zinc/54/98/81/599549881.db2.gz FXUODKAHUQOZIA-CJNGLKHVSA-N -1 3 351.410 3.002 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCCOc1ccccc1Cl ZINC000826252293 607383640 /nfs/dbraw/zinc/38/36/40/607383640.db2.gz YDXCFLSLWTVZSH-UHFFFAOYSA-N -1 3 358.785 3.064 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCCOc1ccccc1Cl ZINC000826252293 607383642 /nfs/dbraw/zinc/38/36/42/607383642.db2.gz YDXCFLSLWTVZSH-UHFFFAOYSA-N -1 3 358.785 3.064 20 0 FGADHM CC(C)C1CCN(C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)CC1 ZINC000820039047 599552215 /nfs/dbraw/zinc/55/22/15/599552215.db2.gz UMURLINMAOSTQU-UHFFFAOYSA-N -1 3 359.478 3.323 20 0 FGADHM CC(C)C1CCN(C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)CC1 ZINC000820039047 599552217 /nfs/dbraw/zinc/55/22/17/599552217.db2.gz UMURLINMAOSTQU-UHFFFAOYSA-N -1 3 359.478 3.323 20 0 FGADHM Cc1ccc(-c2cnc(CN(C)Cc3ccc(-c4nnn[n-]4)cc3)o2)cc1 ZINC000822214134 599560408 /nfs/dbraw/zinc/56/04/08/599560408.db2.gz QOOSBHHYWUVNOY-UHFFFAOYSA-N -1 3 360.421 3.462 20 0 FGADHM Cc1ccc(-c2cnc(CN(C)Cc3ccc(-c4nn[n-]n4)cc3)o2)cc1 ZINC000822214134 599560411 /nfs/dbraw/zinc/56/04/11/599560411.db2.gz QOOSBHHYWUVNOY-UHFFFAOYSA-N -1 3 360.421 3.462 20 0 FGADHM CCO[C@H](C)c1nc(COC(=O)c2ccc(-c3nnn[n-]3)cc2C)cs1 ZINC000825577197 607383887 /nfs/dbraw/zinc/38/38/87/607383887.db2.gz UDOVDIFJPBQFBL-LLVKDONJSA-N -1 3 373.438 3.086 20 0 FGADHM CCO[C@H](C)c1nc(COC(=O)c2ccc(-c3nn[n-]n3)cc2C)cs1 ZINC000825577197 607383890 /nfs/dbraw/zinc/38/38/90/607383890.db2.gz UDOVDIFJPBQFBL-LLVKDONJSA-N -1 3 373.438 3.086 20 0 FGADHM CSCCCNC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737181286 599569737 /nfs/dbraw/zinc/56/97/37/599569737.db2.gz IQTUNNCUTDHGNI-UHFFFAOYSA-N -1 3 368.466 3.093 20 0 FGADHM Cc1cccc(C)c1COC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000737389296 599605505 /nfs/dbraw/zinc/60/55/05/599605505.db2.gz HOTIPHRKWZHRMV-UHFFFAOYSA-N -1 3 354.435 3.319 20 0 FGADHM Cc1cccc(C)c1COC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000737389296 599605507 /nfs/dbraw/zinc/60/55/07/599605507.db2.gz HOTIPHRKWZHRMV-UHFFFAOYSA-N -1 3 354.435 3.319 20 0 FGADHM C[C@@H](CCc1cccc(F)c1)C(=O)OCc1cccc(-c2nnn[n-]2)c1 ZINC000820254115 599623551 /nfs/dbraw/zinc/62/35/51/599623551.db2.gz MUDAJOZJLDVENS-ZDUSSCGKSA-N -1 3 354.385 3.318 20 0 FGADHM C[C@@H](CCc1cccc(F)c1)C(=O)OCc1cccc(-c2nn[n-]n2)c1 ZINC000820254115 599623552 /nfs/dbraw/zinc/62/35/52/599623552.db2.gz MUDAJOZJLDVENS-ZDUSSCGKSA-N -1 3 354.385 3.318 20 0 FGADHM C[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C(F)(F)F ZINC000819868436 599633261 /nfs/dbraw/zinc/63/32/61/599633261.db2.gz XZLDMULONXZXPE-RXMQYKEDSA-N -1 3 353.226 3.022 20 0 FGADHM C[C@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C(F)(F)F ZINC000819868436 599633262 /nfs/dbraw/zinc/63/32/62/599633262.db2.gz XZLDMULONXZXPE-RXMQYKEDSA-N -1 3 353.226 3.022 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1O[C@@H](C)c1nc(-c2cccs2)no1 ZINC000821700598 599646586 /nfs/dbraw/zinc/64/65/86/599646586.db2.gz SQDJMADEYHCVHI-VIFPVBQESA-N -1 3 370.394 3.127 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1O[C@@H](C)c1nc(-c2cccs2)no1 ZINC000821700598 599646587 /nfs/dbraw/zinc/64/65/87/599646587.db2.gz SQDJMADEYHCVHI-VIFPVBQESA-N -1 3 370.394 3.127 20 0 FGADHM CSc1ccc(F)cc1CNC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000821982953 599653984 /nfs/dbraw/zinc/65/39/84/599653984.db2.gz BYTRGBRWFXJYBY-RMKNXTFCSA-N -1 3 369.425 3.057 20 0 FGADHM CSc1ccc(F)cc1CNC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000821982953 599653985 /nfs/dbraw/zinc/65/39/85/599653985.db2.gz BYTRGBRWFXJYBY-RMKNXTFCSA-N -1 3 369.425 3.057 20 0 FGADHM CC[C@H]1C[C@H](C)CN1C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820967231 599664023 /nfs/dbraw/zinc/66/40/23/599664023.db2.gz MCGMFHJZUVAZQZ-ONGXEEELSA-N -1 3 350.879 3.337 20 0 FGADHM CC[C@H]1C[C@H](C)CN1C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820967231 599664024 /nfs/dbraw/zinc/66/40/24/599664024.db2.gz MCGMFHJZUVAZQZ-ONGXEEELSA-N -1 3 350.879 3.337 20 0 FGADHM CC[C@H](C)C[C@@H](C)NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000820870571 599678534 /nfs/dbraw/zinc/67/85/34/599678534.db2.gz VJVRIATXWMLFIE-UONOGXRCSA-N -1 3 356.474 3.365 20 0 FGADHM CC[C@H](C)C[C@@H](C)NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000820870571 599678535 /nfs/dbraw/zinc/67/85/35/599678535.db2.gz VJVRIATXWMLFIE-UONOGXRCSA-N -1 3 356.474 3.365 20 0 FGADHM CCN(CCc1cccs1)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821215804 599682204 /nfs/dbraw/zinc/68/22/04/599682204.db2.gz VJABRXHWMNEFAW-CYBMUJFWSA-N -1 3 370.482 3.263 20 0 FGADHM CCN(CCc1cccs1)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821215804 599682205 /nfs/dbraw/zinc/68/22/05/599682205.db2.gz VJABRXHWMNEFAW-CYBMUJFWSA-N -1 3 370.482 3.263 20 0 FGADHM Cc1ccc2[nH]cc(CCC(=O)N(C)Cc3cccc(-c4nnn[n-]4)c3)c2c1 ZINC000822274942 599696792 /nfs/dbraw/zinc/69/67/92/599696792.db2.gz MADSLFXTBRTIOZ-UHFFFAOYSA-N -1 3 374.448 3.248 20 0 FGADHM Cc1ccc2[nH]cc(CCC(=O)N(C)Cc3cccc(-c4nn[n-]n4)c3)c2c1 ZINC000822274942 599696793 /nfs/dbraw/zinc/69/67/93/599696793.db2.gz MADSLFXTBRTIOZ-UHFFFAOYSA-N -1 3 374.448 3.248 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCc1cc(-c2cccs2)on1 ZINC000826252164 607388252 /nfs/dbraw/zinc/38/82/52/607388252.db2.gz RWVCOQDSGFQTGX-UHFFFAOYSA-N -1 3 367.390 3.249 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCc1cc(-c2cccs2)on1 ZINC000826252164 607388253 /nfs/dbraw/zinc/38/82/53/607388253.db2.gz RWVCOQDSGFQTGX-UHFFFAOYSA-N -1 3 367.390 3.249 20 0 FGADHM O=C([O-])c1cccc(C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)c1 ZINC000647116964 599741669 /nfs/dbraw/zinc/74/16/69/599741669.db2.gz ZJWZVZFGIKGMDD-IBGZPJMESA-N -1 3 352.434 3.342 20 0 FGADHM Cc1ccsc1CCCC(=O)OCc1cc(-c2nnn[n-]2)ccc1F ZINC000826316495 607391351 /nfs/dbraw/zinc/39/13/51/607391351.db2.gz PZNHKYCZUCJINO-UHFFFAOYSA-N -1 3 360.414 3.442 20 0 FGADHM Cc1ccsc1CCCC(=O)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000826316495 607391353 /nfs/dbraw/zinc/39/13/53/607391353.db2.gz PZNHKYCZUCJINO-UHFFFAOYSA-N -1 3 360.414 3.442 20 0 FGADHM Cc1ccsc1[C@@H]1C[C@H]1C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826316532 607391411 /nfs/dbraw/zinc/39/14/11/607391411.db2.gz REUKLXZUVWORBS-VXGBXAGGSA-N -1 3 358.398 3.223 20 0 FGADHM Cc1ccsc1[C@@H]1C[C@H]1C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826316532 607391413 /nfs/dbraw/zinc/39/14/13/607391413.db2.gz REUKLXZUVWORBS-VXGBXAGGSA-N -1 3 358.398 3.223 20 0 FGADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCCCC2)[C@@H]1CCCCO1 ZINC000823387225 607395169 /nfs/dbraw/zinc/39/51/69/607395169.db2.gz GEARDAFKWUBRAD-LBPRGKRZSA-N -1 3 361.471 3.095 20 0 FGADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCCCC2)[C@@H]1CCCCO1 ZINC000823387225 607395170 /nfs/dbraw/zinc/39/51/70/607395170.db2.gz GEARDAFKWUBRAD-LBPRGKRZSA-N -1 3 361.471 3.095 20 0 FGADHM CC(C)Oc1ccc(NC(=O)c2ccc(F)cc2F)cc1-c1nnn[n-]1 ZINC000820169240 607397156 /nfs/dbraw/zinc/39/71/56/607397156.db2.gz JEQRANULCDGKJT-UHFFFAOYSA-N -1 3 359.336 3.184 20 0 FGADHM CC(C)Oc1ccc(NC(=O)c2ccc(F)cc2F)cc1-c1nn[n-]n1 ZINC000820169240 607397157 /nfs/dbraw/zinc/39/71/57/607397157.db2.gz JEQRANULCDGKJT-UHFFFAOYSA-N -1 3 359.336 3.184 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@H]1C[C@H]1c1sccc1C ZINC000825608707 607399034 /nfs/dbraw/zinc/39/90/34/607399034.db2.gz CPZOITACCBPXNS-OLZOCXBDSA-N -1 3 370.434 3.344 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@H]1C[C@H]1c1sccc1C ZINC000825608707 607399036 /nfs/dbraw/zinc/39/90/36/607399036.db2.gz CPZOITACCBPXNS-OLZOCXBDSA-N -1 3 370.434 3.344 20 0 FGADHM CCCc1ncc(C(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)s1 ZINC000821142045 607400804 /nfs/dbraw/zinc/40/08/04/607400804.db2.gz CEPVYIBVADRMPM-UHFFFAOYSA-N -1 3 372.454 3.315 20 0 FGADHM CCCc1ncc(C(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)s1 ZINC000821142045 607400805 /nfs/dbraw/zinc/40/08/05/607400805.db2.gz CEPVYIBVADRMPM-UHFFFAOYSA-N -1 3 372.454 3.315 20 0 FGADHM Cc1ccc(C(=O)CCC(=O)OCc2ccc(-c3nnn[n-]3)cc2C)s1 ZINC000826281380 607407386 /nfs/dbraw/zinc/40/73/86/607407386.db2.gz OYUQHQPLSQRVCR-UHFFFAOYSA-N -1 3 370.434 3.251 20 0 FGADHM Cc1ccc(C(=O)CCC(=O)OCc2ccc(-c3nn[n-]n3)cc2C)s1 ZINC000826281380 607407387 /nfs/dbraw/zinc/40/73/87/607407387.db2.gz OYUQHQPLSQRVCR-UHFFFAOYSA-N -1 3 370.434 3.251 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)Cc1c[nH]c2ccc(F)cc12 ZINC000826254027 607411461 /nfs/dbraw/zinc/41/14/61/607411461.db2.gz QKGSUFBOBVLLAS-UHFFFAOYSA-N -1 3 365.368 3.081 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)Cc1c[nH]c2ccc(F)cc12 ZINC000826254027 607411462 /nfs/dbraw/zinc/41/14/62/607411462.db2.gz QKGSUFBOBVLLAS-UHFFFAOYSA-N -1 3 365.368 3.081 20 0 FGADHM O=C([O-])c1ccc(CCC(=O)N2CCN(CC3CCCCC3)CC2)cc1 ZINC000740121110 600042728 /nfs/dbraw/zinc/04/27/28/600042728.db2.gz BETBJACEPUAYCJ-UHFFFAOYSA-N -1 3 358.482 3.042 20 0 FGADHM O=C([O-])c1cc(F)ccc1CN1CCC(C(=O)NCc2ccccc2)CC1 ZINC000740080150 600083267 /nfs/dbraw/zinc/08/32/67/600083267.db2.gz XBWJANYZRORHHG-UHFFFAOYSA-N -1 3 370.424 3.052 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)[C@H](C)c1cccc(C)c1 ZINC000821737587 607418253 /nfs/dbraw/zinc/41/82/53/607418253.db2.gz YPSUGTGKBARPLG-CYBMUJFWSA-N -1 3 352.394 3.031 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)[C@H](C)c1cccc(C)c1 ZINC000821737587 607418255 /nfs/dbraw/zinc/41/82/55/607418255.db2.gz YPSUGTGKBARPLG-CYBMUJFWSA-N -1 3 352.394 3.031 20 0 FGADHM Cc1ccccc1[C@@H](C)CC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826306291 607427713 /nfs/dbraw/zinc/42/77/13/607427713.db2.gz VLBWQRPMNIHEMS-HNNXBMFYSA-N -1 3 361.449 3.474 20 0 FGADHM Cc1ccccc1[C@@H](C)CC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826306291 607427715 /nfs/dbraw/zinc/42/77/15/607427715.db2.gz VLBWQRPMNIHEMS-HNNXBMFYSA-N -1 3 361.449 3.474 20 0 FGADHM CCCCN(C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1)C1CC1 ZINC000821061586 607430017 /nfs/dbraw/zinc/43/00/17/607430017.db2.gz RHHJCXVYYOUKMH-UHFFFAOYSA-N -1 3 358.446 3.450 20 0 FGADHM CCCCN(C(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1)C1CC1 ZINC000821061586 607430018 /nfs/dbraw/zinc/43/00/18/607430018.db2.gz RHHJCXVYYOUKMH-UHFFFAOYSA-N -1 3 358.446 3.450 20 0 FGADHM O=C([O-])c1ccc(-c2noc([C@H]3CCCN(Cc4cccnc4)C3)n2)cc1 ZINC000740101894 600245752 /nfs/dbraw/zinc/24/57/52/600245752.db2.gz WWOCSWFCFWQBKN-KRWDZBQOSA-N -1 3 364.405 3.209 20 0 FGADHM O=C([O-])c1cc(Cl)cc(NC(=O)N[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000311955169 600280484 /nfs/dbraw/zinc/28/04/84/600280484.db2.gz KKFGRSPHDPHRSJ-INIZCTEOSA-N -1 3 373.840 3.434 20 0 FGADHM CC(C)(C)N(Cc1ccccc1)C(=O)CN1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000736262333 600292513 /nfs/dbraw/zinc/29/25/13/600292513.db2.gz YKNPEDXUBCPELA-QGZVFWFLSA-N -1 3 358.482 3.000 20 0 FGADHM Cc1nc2cc(F)ccc2cc1C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826328086 607436398 /nfs/dbraw/zinc/43/63/98/607436398.db2.gz FXNQMQYZBWSEAH-UHFFFAOYSA-N -1 3 362.368 3.139 20 0 FGADHM Cc1nc2cc(F)ccc2cc1C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826328086 607436400 /nfs/dbraw/zinc/43/64/00/607436400.db2.gz FXNQMQYZBWSEAH-UHFFFAOYSA-N -1 3 362.368 3.139 20 0 FGADHM Cc1ccc(C(=O)[O-])cc1NC(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000390519603 600354558 /nfs/dbraw/zinc/35/45/58/600354558.db2.gz FMYHGRLIMYYCKH-HNNXBMFYSA-N -1 3 355.438 3.335 20 0 FGADHM C[C@H](CNC(=O)N(C)Cc1ccc(C(=O)[O-])cc1)N(C)Cc1ccccc1 ZINC000390613042 600357937 /nfs/dbraw/zinc/35/79/37/600357937.db2.gz FRELIGRRNDSPRD-MRXNPFEDSA-N -1 3 369.465 3.047 20 0 FGADHM CN(C(=O)c1cc(F)cc(C(F)(F)F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825826055 607438661 /nfs/dbraw/zinc/43/86/61/607438661.db2.gz UKGIWLOLMKOICA-UHFFFAOYSA-N -1 3 365.290 3.301 20 0 FGADHM CN(C(=O)c1cc(F)cc(C(F)(F)F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825826055 607438663 /nfs/dbraw/zinc/43/86/63/607438663.db2.gz UKGIWLOLMKOICA-UHFFFAOYSA-N -1 3 365.290 3.301 20 0 FGADHM C[C@@H](C(=O)Nc1cccc(CSCC(=O)[O-])c1)N1CCCCCC1 ZINC000736217367 600408984 /nfs/dbraw/zinc/40/89/84/600408984.db2.gz BKHPTTYCYTXUKH-AWEZNQCLSA-N -1 3 350.484 3.207 20 0 FGADHM C[C@@H](N[C@H](C(=O)[O-])c1cccc(Cl)c1)c1ccc2c(c1)CC(=O)N2C ZINC000736663416 600434072 /nfs/dbraw/zinc/43/40/72/600434072.db2.gz YQJOISZJVSSVLN-ZMZPIMSZSA-N -1 3 358.825 3.335 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1c2ccccc2SC[C@@H]1C ZINC000826245725 607444004 /nfs/dbraw/zinc/44/40/04/607444004.db2.gz GEFBNEGLHPUCGF-LBPRGKRZSA-N -1 3 351.435 3.316 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1c2ccccc2SC[C@@H]1C ZINC000826245725 607444006 /nfs/dbraw/zinc/44/40/06/607444006.db2.gz GEFBNEGLHPUCGF-LBPRGKRZSA-N -1 3 351.435 3.316 20 0 FGADHM Cc1c(NC(=O)NC[C@H]2CCCN2Cc2ccccc2)cccc1C(=O)[O-] ZINC000390581328 600540049 /nfs/dbraw/zinc/54/00/49/600540049.db2.gz PKNSGHWCCPJKQL-QGZVFWFLSA-N -1 3 367.449 3.479 20 0 FGADHM OCC[C@H](Nc1ccc(C(F)(F)F)c(-c2nnn[n-]2)c1)c1cccs1 ZINC000826509263 607453085 /nfs/dbraw/zinc/45/30/85/607453085.db2.gz QEDCJIACCDMSIC-LBPRGKRZSA-N -1 3 369.372 3.483 20 0 FGADHM OCC[C@H](Nc1ccc(C(F)(F)F)c(-c2nn[n-]n2)c1)c1cccs1 ZINC000826509263 607453087 /nfs/dbraw/zinc/45/30/87/607453087.db2.gz QEDCJIACCDMSIC-LBPRGKRZSA-N -1 3 369.372 3.483 20 0 FGADHM O=C([O-])C1CCC(NC(=O)N[C@H](CN2CCCCC2)c2ccccc2)CC1 ZINC000666530255 600565051 /nfs/dbraw/zinc/56/50/51/600565051.db2.gz JOBOLSPNYKNDNH-CTWPCTMYSA-N -1 3 373.497 3.156 20 0 FGADHM C[C@@H]1C[C@@H](c2ccccc2)CN1CC(=O)NCc1ccc(NC(=O)[O-])cc1 ZINC000736761656 600629936 /nfs/dbraw/zinc/62/99/36/600629936.db2.gz OYUUGUFVCKESGY-CRAIPNDOSA-N -1 3 367.449 3.271 20 0 FGADHM Nc1c(Cl)cc(Cl)cc1C(=O)OCc1cccc(-c2nnn[n-]2)c1 ZINC000826395486 607465273 /nfs/dbraw/zinc/46/52/73/607465273.db2.gz DVQAQMSHYGPBGX-UHFFFAOYSA-N -1 3 364.192 3.113 20 0 FGADHM Nc1c(Cl)cc(Cl)cc1C(=O)OCc1cccc(-c2nn[n-]n2)c1 ZINC000826395486 607465276 /nfs/dbraw/zinc/46/52/76/607465276.db2.gz DVQAQMSHYGPBGX-UHFFFAOYSA-N -1 3 364.192 3.113 20 0 FGADHM COc1cc2c(cc1CNc1c(F)cc(-c3nnn[n-]3)cc1F)O[C@H](C)C2 ZINC000821727234 607469285 /nfs/dbraw/zinc/46/92/85/607469285.db2.gz DZBDTMPUKGRSQN-SECBINFHSA-N -1 3 373.363 3.089 20 0 FGADHM COc1cc2c(cc1CNc1c(F)cc(-c3nn[n-]n3)cc1F)O[C@H](C)C2 ZINC000821727234 607469287 /nfs/dbraw/zinc/46/92/87/607469287.db2.gz DZBDTMPUKGRSQN-SECBINFHSA-N -1 3 373.363 3.089 20 0 FGADHM O=C([O-])c1cccc(COC(=O)C2CCN(Cc3ccccc3)CC2)c1 ZINC000740220021 600803971 /nfs/dbraw/zinc/80/39/71/600803971.db2.gz CTAZQXZIWPOEFC-UHFFFAOYSA-N -1 3 353.418 3.340 20 0 FGADHM O=C([O-])c1cccc(-c2nc(CN3CCN(CC4CC4)CC3)cs2)c1 ZINC000833325927 600819606 /nfs/dbraw/zinc/81/96/06/600819606.db2.gz CJLBAFDTUJOQLP-UHFFFAOYSA-N -1 3 357.479 3.036 20 0 FGADHM C[C@H](CN(CC(=O)N(Cc1cccc(F)c1)C(C)(C)C)C1CC1)C(=O)[O-] ZINC000827450383 600823157 /nfs/dbraw/zinc/82/31/57/600823157.db2.gz WKOCHFIBYJKRJC-CQSZACIVSA-N -1 3 364.461 3.138 20 0 FGADHM CN(Cc1nc(-c2ccccc2)c[nH]1)Cc1ccc(-c2nnn[n-]2)cc1F ZINC000825992074 607470782 /nfs/dbraw/zinc/47/07/82/607470782.db2.gz NXZMHYDTOFGDIY-UHFFFAOYSA-N -1 3 363.400 3.028 20 0 FGADHM CN(Cc1nc(-c2ccccc2)c[nH]1)Cc1ccc(-c2nn[n-]n2)cc1F ZINC000825992074 607470784 /nfs/dbraw/zinc/47/07/84/607470784.db2.gz NXZMHYDTOFGDIY-UHFFFAOYSA-N -1 3 363.400 3.028 20 0 FGADHM Cc1[nH]c(C(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)c(C)c1C(=O)[O-] ZINC000832843516 600961725 /nfs/dbraw/zinc/96/17/25/600961725.db2.gz OHSLNUZJUCURIN-CQSZACIVSA-N -1 3 369.465 3.066 20 0 FGADHM CC[C@H](Cc1ccccc1)N(C)CC(=O)NCc1ccc(NC(=O)[O-])cc1 ZINC000736907410 600974374 /nfs/dbraw/zinc/97/43/74/600974374.db2.gz RNSPHDUQPKMDMC-LJQANCHMSA-N -1 3 369.465 3.346 20 0 FGADHM Cc1oc(CN2CCC[C@@H](c3cc(C(F)(F)F)n[nH]3)C2)cc1C(=O)[O-] ZINC000738980235 601119288 /nfs/dbraw/zinc/11/92/88/601119288.db2.gz PQLZUPSOJFJOCK-SNVBAGLBSA-N -1 3 357.332 3.408 20 0 FGADHM CCc1nnc(-c2ccc(NCc3ccc(-c4nnn[n-]4)cc3F)cc2)o1 ZINC000821517872 607490224 /nfs/dbraw/zinc/49/02/24/607490224.db2.gz PNKJRZXKWLEWCE-UHFFFAOYSA-N -1 3 365.372 3.230 20 0 FGADHM CCc1nnc(-c2ccc(NCc3ccc(-c4nn[n-]n4)cc3F)cc2)o1 ZINC000821517872 607490226 /nfs/dbraw/zinc/49/02/26/607490226.db2.gz PNKJRZXKWLEWCE-UHFFFAOYSA-N -1 3 365.372 3.230 20 0 FGADHM C[C@H](CSCc1ccccc1)C(=O)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000820293801 607495688 /nfs/dbraw/zinc/49/56/88/607495688.db2.gz OJHBIZKOFXHFKO-CQSZACIVSA-N -1 3 368.462 3.479 20 0 FGADHM C[C@H](CSCc1ccccc1)C(=O)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000820293801 607495689 /nfs/dbraw/zinc/49/56/89/607495689.db2.gz OJHBIZKOFXHFKO-CQSZACIVSA-N -1 3 368.462 3.479 20 0 FGADHM Cc1ccc2cc(C(=O)OCc3ccc(-c4nnn[n-]4)cc3F)ccc2n1 ZINC000822279559 607506201 /nfs/dbraw/zinc/50/62/01/607506201.db2.gz ANRXXZJJNKMCQU-UHFFFAOYSA-N -1 3 363.352 3.219 20 0 FGADHM Cc1ccc2cc(C(=O)OCc3ccc(-c4nn[n-]n4)cc3F)ccc2n1 ZINC000822279559 607506203 /nfs/dbraw/zinc/50/62/03/607506203.db2.gz ANRXXZJJNKMCQU-UHFFFAOYSA-N -1 3 363.352 3.219 20 0 FGADHM COc1ccc(CN(CC2CCC2)CC(F)(F)F)cc1-c1nnn[n-]1 ZINC000826193933 607511046 /nfs/dbraw/zinc/51/10/46/607511046.db2.gz VDIOMTXOXVLQPS-UHFFFAOYSA-N -1 3 355.364 3.040 20 0 FGADHM COc1ccc(CN(CC2CCC2)CC(F)(F)F)cc1-c1nn[n-]n1 ZINC000826193933 607511047 /nfs/dbraw/zinc/51/10/47/607511047.db2.gz VDIOMTXOXVLQPS-UHFFFAOYSA-N -1 3 355.364 3.040 20 0 FGADHM COc1cccc(NC(=O)[C@H](c2ccccc2)N2C[C@H](C)[C@@H](C(=O)[O-])C2)c1 ZINC000832561932 601538621 /nfs/dbraw/zinc/53/86/21/601538621.db2.gz GMOROEYTYIARAE-JVPBZIDWSA-N -1 3 368.433 3.028 20 0 FGADHM COC(=O)c1cc2cc(CN3CCc4ccccc4[C@H]3C(=O)[O-])ccc2o1 ZINC000831354319 601548183 /nfs/dbraw/zinc/54/81/83/601548183.db2.gz YPRDUTDRFJRJLP-IBGZPJMESA-N -1 3 365.385 3.403 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1CN(C)[C@@H](C)c1cc(F)ccc1F ZINC000826181767 607517199 /nfs/dbraw/zinc/51/71/99/607517199.db2.gz NAQGCLAWAVUTFY-NSHDSACASA-N -1 3 359.380 3.347 20 0 FGADHM CCN(Cc1ccc(C(=O)N(C)C)cc1)Cc1ccc(C(=O)[O-])c(F)c1 ZINC000829719006 601628722 /nfs/dbraw/zinc/62/87/22/601628722.db2.gz VOIWXYLLGRQLBY-UHFFFAOYSA-N -1 3 358.413 3.248 20 0 FGADHM COc1ccc(NC(=O)[C@@H](NCC(C)(C)C(=O)[O-])c2ccccc2)cc1 ZINC000832393914 601644473 /nfs/dbraw/zinc/64/44/73/601644473.db2.gz JRKDVNFHNZZPOQ-KRWDZBQOSA-N -1 3 356.422 3.075 20 0 FGADHM CCN(C[C@H]1CCN(Cc2ccc(C(=O)[O-])c(F)c2)C1)CC(F)(F)F ZINC000829687310 601649182 /nfs/dbraw/zinc/64/91/82/601649182.db2.gz JSDXJQDBNBDJHQ-CYBMUJFWSA-N -1 3 362.367 3.230 20 0 FGADHM Cc1ccccc1C[C@H](C)NC(=O)CN[C@@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000832980766 601652955 /nfs/dbraw/zinc/65/29/55/601652955.db2.gz KWBVAEMFRCSIFD-XGHQBKJUSA-N -1 3 368.477 3.094 20 0 FGADHM CCN(Cc1ccccc1)C(=O)CN[C@@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000829722288 601655632 /nfs/dbraw/zinc/65/56/32/601655632.db2.gz JPABBBAWWGYMRG-OXQOHEQNSA-N -1 3 354.450 3.087 20 0 FGADHM C[C@H](C(=O)[O-])[C@@H](NCC(=O)N1c2ccccc2C[C@@H]1C)c1ccccc1 ZINC000826045016 601656529 /nfs/dbraw/zinc/65/65/29/601656529.db2.gz OPWVOMDCWNPNAZ-AUSJPIAWSA-N -1 3 352.434 3.016 20 0 FGADHM Cc1ccccc1CN(C)C(=O)CN[C@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000832979401 601657216 /nfs/dbraw/zinc/65/72/16/601657216.db2.gz LTYFFPSSEMULCA-JXFKEZNVSA-N -1 3 354.450 3.005 20 0 FGADHM CN1CCC(N(Cc2ccccc2)C(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)CC1 ZINC000830923870 601674420 /nfs/dbraw/zinc/67/44/20/601674420.db2.gz VCCXTZVTKVDNHQ-QZTJIDSGSA-N -1 3 358.482 3.000 20 0 FGADHM C[C@H](NCc1c[nH]c(C(=O)[O-])c1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000827734151 601833034 /nfs/dbraw/zinc/83/30/34/601833034.db2.gz DNNRDVLYWKPNFV-ZDUSSCGKSA-N -1 3 364.405 3.211 20 0 FGADHM COc1ccc(CNC(=S)Nc2ccc(Cl)cc2)cc1-c1nnn[n-]1 ZINC000826201937 607529887 /nfs/dbraw/zinc/52/98/87/607529887.db2.gz ISBVAPGUHUWKJK-UHFFFAOYSA-N -1 3 374.857 3.015 20 0 FGADHM COc1ccc(CNC(=S)Nc2ccc(Cl)cc2)cc1-c1nn[n-]n1 ZINC000826201937 607529888 /nfs/dbraw/zinc/52/98/88/607529888.db2.gz ISBVAPGUHUWKJK-UHFFFAOYSA-N -1 3 374.857 3.015 20 0 FGADHM CN(C[C@H]1CCCN(Cc2cc(=O)oc3cc4c(cc23)CCC4)C1)C(=O)[O-] ZINC000739635710 601855186 /nfs/dbraw/zinc/85/51/86/601855186.db2.gz GHILVFCAQFSOHO-CQSZACIVSA-N -1 3 370.449 3.104 20 0 FGADHM Cc1sc(NC(=O)c2cnn(CCC(C)C)c2C)c(-c2nnn[n-]2)c1C ZINC000826350024 607531506 /nfs/dbraw/zinc/53/15/06/607531506.db2.gz FHBYAVXTLCZKRU-UHFFFAOYSA-N -1 3 373.486 3.348 20 0 FGADHM Cc1sc(NC(=O)c2cnn(CCC(C)C)c2C)c(-c2nn[n-]n2)c1C ZINC000826350024 607531508 /nfs/dbraw/zinc/53/15/08/607531508.db2.gz FHBYAVXTLCZKRU-UHFFFAOYSA-N -1 3 373.486 3.348 20 0 FGADHM COCc1cccc(CSCCOc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826164908 607532641 /nfs/dbraw/zinc/53/26/41/607532641.db2.gz WPZWXRPFJDDDDZ-UHFFFAOYSA-N -1 3 356.451 3.325 20 0 FGADHM CN(C[C@H](O)c1ccccc1F)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830714781 601904329 /nfs/dbraw/zinc/90/43/29/601904329.db2.gz YMEQEOKXGVTWFA-HOCLYGCPSA-N -1 3 357.303 3.034 20 0 FGADHM CN(Cc1ccc2c(c1)CCO2)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830841330 601906428 /nfs/dbraw/zinc/90/64/28/601906428.db2.gz ZPWYBBMKFFZZMD-QGZVFWFLSA-N -1 3 351.324 3.297 20 0 FGADHM CN(C(=O)[O-])[C@@H]1CCCN(CCC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000739585239 601972871 /nfs/dbraw/zinc/97/28/71/601972871.db2.gz OHNMOUJYXJTKLA-LLVKDONJSA-N -1 3 374.268 3.396 20 0 FGADHM COc1ccc2[nH]c(SCc3ccc(OC)c(-c4nn[n-]n4)c3)nc2c1 ZINC000826213759 607539143 /nfs/dbraw/zinc/53/91/43/607539143.db2.gz LEPCIWPZLRSHJI-UHFFFAOYSA-N -1 3 368.422 3.053 20 0 FGADHM COc1ccc(CNc2ccc(Br)cc2)cc1-c1nnn[n-]1 ZINC000826203800 607545398 /nfs/dbraw/zinc/54/53/98/607545398.db2.gz GSFAEWXZNLMJCP-UHFFFAOYSA-N -1 3 360.215 3.250 20 0 FGADHM COc1ccc(CNc2ccc(Br)cc2)cc1-c1nn[n-]n1 ZINC000826203800 607545400 /nfs/dbraw/zinc/54/54/00/607545400.db2.gz GSFAEWXZNLMJCP-UHFFFAOYSA-N -1 3 360.215 3.250 20 0 FGADHM Cc1nc([C@H]2CCCN([C@@H](C(=O)[O-])c3ccc(Cl)cc3Cl)C2)n[nH]1 ZINC000832997051 602234494 /nfs/dbraw/zinc/23/44/94/602234494.db2.gz OAIMEPGOFRATHG-IINYFYTJSA-N -1 3 369.252 3.425 20 0 FGADHM Cc1n[nH]c([C@H]2CCCN([C@@H](C(=O)[O-])c3ccc(Cl)cc3Cl)C2)n1 ZINC000832997051 602234495 /nfs/dbraw/zinc/23/44/95/602234495.db2.gz OAIMEPGOFRATHG-IINYFYTJSA-N -1 3 369.252 3.425 20 0 FGADHM COc1cc(OC)cc(N2CCCN(Cc3cc(C(=O)[O-])oc3C)CC2)c1 ZINC000832088012 602241985 /nfs/dbraw/zinc/24/19/85/602241985.db2.gz HKNAEAFMVWDBKL-UHFFFAOYSA-N -1 3 374.437 3.016 20 0 FGADHM O=C([O-])c1ccc(NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)cc1F ZINC000312184252 602378305 /nfs/dbraw/zinc/37/83/05/602378305.db2.gz YMZNELDMFOJGSB-INIZCTEOSA-N -1 3 371.412 3.310 20 0 FGADHM FC(F)n1ncc2cc(Nc3ncc(-c4nnn[n-]4)cc3Cl)ccc21 ZINC000826370346 607565697 /nfs/dbraw/zinc/56/56/97/607565697.db2.gz OESQZRIKZRPJLA-UHFFFAOYSA-N -1 3 362.731 3.404 20 0 FGADHM FC(F)n1ncc2cc(Nc3ncc(-c4nn[n-]n4)cc3Cl)ccc21 ZINC000826370346 607565699 /nfs/dbraw/zinc/56/56/99/607565699.db2.gz OESQZRIKZRPJLA-UHFFFAOYSA-N -1 3 362.731 3.404 20 0 FGADHM O=C([O-])Nc1ccc(NC(=O)[C@H]2CCCN(Cc3cccnc3)C2)cc1 ZINC000740708154 602503668 /nfs/dbraw/zinc/50/36/68/602503668.db2.gz OPKVSBXOLSHOOW-HNNXBMFYSA-N -1 3 354.410 3.022 20 0 FGADHM CCC(=CC(=O)Nc1sccc1-c1nnn[n-]1)c1ccc(OC)cc1 ZINC000825028543 607575696 /nfs/dbraw/zinc/57/56/96/607575696.db2.gz IYVPBQOFHLUNCI-KHPPLWFESA-N -1 3 355.423 3.369 20 0 FGADHM CCC(=CC(=O)Nc1sccc1-c1nn[n-]n1)c1ccc(OC)cc1 ZINC000825028543 607575698 /nfs/dbraw/zinc/57/56/98/607575698.db2.gz IYVPBQOFHLUNCI-KHPPLWFESA-N -1 3 355.423 3.369 20 0 FGADHM COc1ccc(CNCC2(NC(=O)[O-])CCCCCC2)c(OC)c1OC ZINC000739903269 602648791 /nfs/dbraw/zinc/64/87/91/602648791.db2.gz ODYHXGNTVBKYDH-UHFFFAOYSA-N -1 3 366.458 3.163 20 0 FGADHM Cc1nn(-c2ccc(F)cc2)c(Cl)c1CNCC[C@@H](C)NC(=O)[O-] ZINC000740247552 602650691 /nfs/dbraw/zinc/65/06/91/602650691.db2.gz VLMZBMBZEKFEMJ-SNVBAGLBSA-N -1 3 354.813 3.109 20 0 FGADHM COc1ccc(CNC(=O)c2cc3sccc3s2)cc1-c1nnn[n-]1 ZINC000826200924 607584920 /nfs/dbraw/zinc/58/49/20/607584920.db2.gz PHUXTRWBIVZGRD-UHFFFAOYSA-N -1 3 371.447 3.082 20 0 FGADHM COc1ccc(CNC(=O)c2cc3sccc3s2)cc1-c1nn[n-]n1 ZINC000826200924 607584921 /nfs/dbraw/zinc/58/49/21/607584921.db2.gz PHUXTRWBIVZGRD-UHFFFAOYSA-N -1 3 371.447 3.082 20 0 FGADHM Cc1ccc(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)cc1NC(=O)[O-] ZINC000830216867 602942044 /nfs/dbraw/zinc/94/20/44/602942044.db2.gz MSBUGJZSGQEWAP-SFHVURJKSA-N -1 3 367.449 3.479 20 0 FGADHM O=C([O-])Nc1ccc(CC(=O)O[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000740703137 602978487 /nfs/dbraw/zinc/97/84/87/602978487.db2.gz NZWILNKPZHXRPW-GOSISDBHSA-N -1 3 354.406 3.137 20 0 FGADHM COc1ccc(COC(=O)C(C)(C)c2ccc(F)cc2)cc1-c1nnn[n-]1 ZINC000826204245 607605153 /nfs/dbraw/zinc/60/51/53/607605153.db2.gz CXTVJZZKKRIRJB-UHFFFAOYSA-N -1 3 370.384 3.035 20 0 FGADHM COc1ccc(COC(=O)C(C)(C)c2ccc(F)cc2)cc1-c1nn[n-]n1 ZINC000826204245 607605155 /nfs/dbraw/zinc/60/51/55/607605155.db2.gz CXTVJZZKKRIRJB-UHFFFAOYSA-N -1 3 370.384 3.035 20 0 FGADHM COc1ccc(COC(=O)C/C=C/c2cccc(F)c2)cc1-c1nnn[n-]1 ZINC000826205240 607611973 /nfs/dbraw/zinc/61/19/73/607611973.db2.gz PMUNVMLKTFWDGC-HWKANZROSA-N -1 3 368.368 3.161 20 0 FGADHM COc1ccc(COC(=O)C/C=C/c2cccc(F)c2)cc1-c1nn[n-]n1 ZINC000826205240 607611974 /nfs/dbraw/zinc/61/19/74/607611974.db2.gz PMUNVMLKTFWDGC-HWKANZROSA-N -1 3 368.368 3.161 20 0 FGADHM COc1ccc(COC(=O)[C@H](C)OC2CCCCCC2)cc1-c1nnn[n-]1 ZINC000826204241 607613368 /nfs/dbraw/zinc/61/33/68/607613368.db2.gz CTIVLOOITOGCKH-ZDUSSCGKSA-N -1 3 374.441 3.046 20 0 FGADHM COc1ccc(COC(=O)[C@H](C)OC2CCCCCC2)cc1-c1nn[n-]n1 ZINC000826204241 607613370 /nfs/dbraw/zinc/61/33/70/607613370.db2.gz CTIVLOOITOGCKH-ZDUSSCGKSA-N -1 3 374.441 3.046 20 0 FGADHM COc1ccc(CNC(=O)Nc2cccc(C(C)C)c2)cc1-c1nnn[n-]1 ZINC000826200280 607617531 /nfs/dbraw/zinc/61/75/31/607617531.db2.gz HYPFXDIQUBTICP-UHFFFAOYSA-N -1 3 366.425 3.320 20 0 FGADHM COc1ccc(CNC(=O)Nc2cccc(C(C)C)c2)cc1-c1nn[n-]n1 ZINC000826200280 607617533 /nfs/dbraw/zinc/61/75/33/607617533.db2.gz HYPFXDIQUBTICP-UHFFFAOYSA-N -1 3 366.425 3.320 20 0 FGADHM C[C@H](C(=O)Nc1ccccc1CN(C)C)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823722505 603317088 /nfs/dbraw/zinc/31/70/88/603317088.db2.gz FHOUAFQRJSGEDF-KBXCAEBGSA-N -1 3 355.438 3.332 20 0 FGADHM C[C@@H]1CN(Cc2ccc(OCc3ccncc3)cc2)CC[C@H]1NC(=O)[O-] ZINC000739195992 603412414 /nfs/dbraw/zinc/41/24/14/603412414.db2.gz ZYLWUMZGJTWXAF-DNVCBOLYSA-N -1 3 355.438 3.139 20 0 FGADHM C[C@@H](NCc1ccc(NC(=O)[O-])nc1)c1ccc(NC(=O)C2CC2)cc1 ZINC000825503336 603534960 /nfs/dbraw/zinc/53/49/60/603534960.db2.gz QVSAQARWCACGCO-GFCCVEGCSA-N -1 3 354.410 3.371 20 0 FGADHM CN(C)Cc1ccc(-c2noc([C@@H](CNC(=O)[O-])c3ccccc3)n2)cc1 ZINC000828042594 603637770 /nfs/dbraw/zinc/63/77/70/603637770.db2.gz IWVYSOKXTVSDSK-KRWDZBQOSA-N -1 3 366.421 3.198 20 0 FGADHM COc1ccc(Cl)cc1CN(C)C(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000826208336 607651170 /nfs/dbraw/zinc/65/11/70/607651170.db2.gz FTHDPASURRGTIS-UHFFFAOYSA-N -1 3 371.828 3.109 20 0 FGADHM COc1ccc(Cl)cc1CN(C)C(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000826208336 607651171 /nfs/dbraw/zinc/65/11/71/607651171.db2.gz FTHDPASURRGTIS-UHFFFAOYSA-N -1 3 371.828 3.109 20 0 FGADHM C[C@H]1C[C@@H](NC(=O)Cc2ccc(NC(=O)[O-])cc2)CN1Cc1ccccc1 ZINC000825794669 604006088 /nfs/dbraw/zinc/00/60/88/604006088.db2.gz NYLZBECVDPYURH-HNAYVOBHSA-N -1 3 367.449 3.098 20 0 FGADHM C[C@H]1C[C@@H](NC(=O)c2ccc(NC(=O)[O-])cc2)CN1Cc1ccccc1 ZINC000825853359 604006258 /nfs/dbraw/zinc/00/62/58/604006258.db2.gz XHJDSALCWIVUPH-KBXCAEBGSA-N -1 3 353.422 3.169 20 0 FGADHM Cc1ccccc1OCCCN(C)C(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000826307724 607667699 /nfs/dbraw/zinc/66/76/99/607667699.db2.gz ULUHLBUCCREPOT-UHFFFAOYSA-N -1 3 365.437 3.025 20 0 FGADHM Cc1ccccc1OCCCN(C)C(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000826307724 607667701 /nfs/dbraw/zinc/66/77/01/607667701.db2.gz ULUHLBUCCREPOT-UHFFFAOYSA-N -1 3 365.437 3.025 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H]1C[C@H]1c1sccc1C ZINC000825620755 607669833 /nfs/dbraw/zinc/66/98/33/607669833.db2.gz HEEQIYCYJCJVDG-OLZOCXBDSA-N -1 3 369.450 3.378 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H]1C[C@H]1c1sccc1C ZINC000825620755 607669834 /nfs/dbraw/zinc/66/98/34/607669834.db2.gz HEEQIYCYJCJVDG-OLZOCXBDSA-N -1 3 369.450 3.378 20 0 FGADHM O=C(Nc1nc(C2CC2)cs1)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826460047 607674416 /nfs/dbraw/zinc/67/44/16/607674416.db2.gz KUKNYGBBZWJRRI-UHFFFAOYSA-N -1 3 367.438 3.011 20 0 FGADHM O=C(Nc1nc(C2CC2)cs1)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826460047 607674417 /nfs/dbraw/zinc/67/44/17/607674417.db2.gz KUKNYGBBZWJRRI-UHFFFAOYSA-N -1 3 367.438 3.011 20 0 FGADHM Cc1cc(F)ccc1[C@H](O)CN1CCC(N(CC2CC2)C(=O)[O-])CC1 ZINC000830068221 604230643 /nfs/dbraw/zinc/23/06/43/604230643.db2.gz IKHOJNCTDMYZLO-GOSISDBHSA-N -1 3 350.434 3.022 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@H](c1ccccc1)c1cccnc1 ZINC000826247137 607685658 /nfs/dbraw/zinc/68/56/58/607685658.db2.gz UYLOZWXHEQHXBA-LJQANCHMSA-N -1 3 370.416 3.090 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@H](c1ccccc1)c1cccnc1 ZINC000826247137 607685660 /nfs/dbraw/zinc/68/56/60/607685660.db2.gz UYLOZWXHEQHXBA-LJQANCHMSA-N -1 3 370.416 3.090 20 0 FGADHM Cc1ccc(NC(=O)C[C@H](C)NCc2ccc(C(=O)[O-])o2)cc1Cl ZINC000832942855 604330758 /nfs/dbraw/zinc/33/07/58/604330758.db2.gz SUKAPAVBVAFAPP-NSHDSACASA-N -1 3 350.802 3.447 20 0 FGADHM CN(Cc1cccc(NC(=O)N2CCN(C3CCCCC3)CC2)c1)C(=O)[O-] ZINC000828375559 604343477 /nfs/dbraw/zinc/34/34/77/604343477.db2.gz LRJRQVJXPPYNEN-UHFFFAOYSA-N -1 3 374.485 3.279 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1cccc(N(C)C(C)C)c1 ZINC000826250907 607688153 /nfs/dbraw/zinc/68/81/53/607688153.db2.gz YMUAMBWILWLZFW-UHFFFAOYSA-N -1 3 350.426 3.272 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1cccc(N(C)C(C)C)c1 ZINC000826250907 607688155 /nfs/dbraw/zinc/68/81/55/607688155.db2.gz YMUAMBWILWLZFW-UHFFFAOYSA-N -1 3 350.426 3.272 20 0 FGADHM Cc1c([C@@H](C)NC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])nnn1-c1ccc(C)cc1 ZINC000830171523 604376036 /nfs/dbraw/zinc/37/60/36/604376036.db2.gz VNLHOIQBFYJDHE-PNFOFYCQSA-N -1 3 369.469 3.208 20 0 FGADHM CCc1ccc([C@H]2CCCN2C(=O)c2ccc(-c3nnn[n-]3)cc2C)o1 ZINC000825704897 607692606 /nfs/dbraw/zinc/69/26/06/607692606.db2.gz PIVCGHVKYLKPDE-MRXNPFEDSA-N -1 3 351.410 3.308 20 0 FGADHM CCc1ccc([C@H]2CCCN2C(=O)c2ccc(-c3nn[n-]n3)cc2C)o1 ZINC000825704897 607692607 /nfs/dbraw/zinc/69/26/07/607692607.db2.gz PIVCGHVKYLKPDE-MRXNPFEDSA-N -1 3 351.410 3.308 20 0 FGADHM CN(C)CCN(Cc1ccc(F)cc1)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000830604702 604492529 /nfs/dbraw/zinc/49/25/29/604492529.db2.gz SUDNRRXESNCJCA-UHFFFAOYSA-N -1 3 365.430 3.181 20 0 FGADHM CC1CCN([C@H](CNC(=O)N2CCC[C@H]2CC(=O)[O-])c2ccccc2)CC1 ZINC000828285311 604497919 /nfs/dbraw/zinc/49/79/19/604497919.db2.gz MDBFLDFZJRHBEA-RBUKOAKNSA-N -1 3 373.497 3.108 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CC[C@@H](c2ccccc2)[C@@H](C)C1 ZINC000826244977 607695884 /nfs/dbraw/zinc/69/58/84/607695884.db2.gz JRMIRIPCAFSKFR-MAUKXSAKSA-N -1 3 361.449 3.441 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CC[C@@H](c2ccccc2)[C@@H](C)C1 ZINC000826244977 607695885 /nfs/dbraw/zinc/69/58/85/607695885.db2.gz JRMIRIPCAFSKFR-MAUKXSAKSA-N -1 3 361.449 3.441 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@@H](C)c1c(F)cccc1Cl ZINC000826246473 607700393 /nfs/dbraw/zinc/70/03/93/607700393.db2.gz DUWHNORBVXVTFU-JTQLQIEISA-N -1 3 359.792 3.459 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@@H](C)c1c(F)cccc1Cl ZINC000826246473 607700396 /nfs/dbraw/zinc/70/03/96/607700396.db2.gz DUWHNORBVXVTFU-JTQLQIEISA-N -1 3 359.792 3.459 20 0 FGADHM O=C(Nc1ccccc1SC1CCCC1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826457891 607697359 /nfs/dbraw/zinc/69/73/59/607697359.db2.gz VBQFTXYLXXCFHH-UHFFFAOYSA-N -1 3 354.439 3.482 20 0 FGADHM O=C(Nc1ccccc1SC1CCCC1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826457891 607697360 /nfs/dbraw/zinc/69/73/60/607697360.db2.gz VBQFTXYLXXCFHH-UHFFFAOYSA-N -1 3 354.439 3.482 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccn([C@@H](C)c2ccccc2)n1 ZINC000826250523 607706128 /nfs/dbraw/zinc/70/61/28/607706128.db2.gz FONWKVFUNTVXLU-AWEZNQCLSA-N -1 3 373.420 3.233 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccn([C@@H](C)c2ccccc2)n1 ZINC000826250523 607706129 /nfs/dbraw/zinc/70/61/29/607706129.db2.gz FONWKVFUNTVXLU-AWEZNQCLSA-N -1 3 373.420 3.233 20 0 FGADHM C[C@@H](c1ccncc1)N1CCC(NC(=O)c2ccc(NC(=O)[O-])cc2)CC1 ZINC000833551723 604940968 /nfs/dbraw/zinc/94/09/68/604940968.db2.gz VEJFCNNGNMJCRR-AWEZNQCLSA-N -1 3 368.437 3.127 20 0 FGADHM CC(C)Sc1ccc([C@@H](C)NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)cc1 ZINC000824338001 607724991 /nfs/dbraw/zinc/72/49/91/607724991.db2.gz MHLUXPYOYFVBCZ-LLVKDONJSA-N -1 3 356.455 3.186 20 0 FGADHM CC(C)Sc1ccc([C@@H](C)NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)cc1 ZINC000824338001 607724992 /nfs/dbraw/zinc/72/49/92/607724992.db2.gz MHLUXPYOYFVBCZ-LLVKDONJSA-N -1 3 356.455 3.186 20 0 FGADHM CN(Cc1ccco1)Cc1ccccc1CN[C@H](C(=O)[O-])c1cccnc1 ZINC000830860840 605003047 /nfs/dbraw/zinc/00/30/47/605003047.db2.gz ZRFQBCMZONTQEL-FQEVSTJZSA-N -1 3 365.433 3.222 20 0 FGADHM C[C@]1(NCc2nc(-c3ccc(F)c(F)c3)no2)CCCC[C@H]1C(=O)[O-] ZINC000833569205 605068717 /nfs/dbraw/zinc/06/87/17/605068717.db2.gz KFAIYRBUYGUXNP-GTNSWQLSSA-N -1 3 351.353 3.138 20 0 FGADHM Cc1ccc(N(Cc2ccco2)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)cc1C ZINC000826289683 607735166 /nfs/dbraw/zinc/73/51/66/607735166.db2.gz JEPRXTAAXZXJTO-UHFFFAOYSA-N -1 3 362.393 3.252 20 0 FGADHM Cc1ccc(N(Cc2ccco2)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)cc1C ZINC000826289683 607735167 /nfs/dbraw/zinc/73/51/67/607735167.db2.gz JEPRXTAAXZXJTO-UHFFFAOYSA-N -1 3 362.393 3.252 20 0 FGADHM O[C@@H](c1ccccc1)C1(CNc2c(F)cc(-c3nnn[n-]3)cc2F)CC1 ZINC000826505015 607735418 /nfs/dbraw/zinc/73/54/18/607735418.db2.gz KHRBMWGSGIBLQD-INIZCTEOSA-N -1 3 357.364 3.071 20 0 FGADHM O[C@@H](c1ccccc1)C1(CNc2c(F)cc(-c3nn[n-]n3)cc2F)CC1 ZINC000826505015 607735419 /nfs/dbraw/zinc/73/54/19/607735419.db2.gz KHRBMWGSGIBLQD-INIZCTEOSA-N -1 3 357.364 3.071 20 0 FGADHM C[C@H]1Cc2ccccc2N1C(=O)CN[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000833631568 605181238 /nfs/dbraw/zinc/18/12/38/605181238.db2.gz DOCWMEYAXAWWDZ-MGPUTAFESA-N -1 3 366.461 3.406 20 0 FGADHM COc1ccc(C)cc1NC(=O)CN[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000833730706 605183727 /nfs/dbraw/zinc/18/37/27/605183727.db2.gz MVUZQDUKEIUYDT-LJQANCHMSA-N -1 3 370.449 3.384 20 0 FGADHM CC(C)(C)OC(=O)C[C@@H]1CCCN(Cc2ccc(OCC(=O)[O-])cc2)C1 ZINC000833431726 605298676 /nfs/dbraw/zinc/29/86/76/605298676.db2.gz CAMRWTKKQGWEDX-INIZCTEOSA-N -1 3 363.454 3.094 20 0 FGADHM CC(C)(C)n1ncc2c1CCC[C@H]2NCc1ccc(OCC(=O)[O-])cc1 ZINC000833451961 605306938 /nfs/dbraw/zinc/30/69/38/605306938.db2.gz JPGUNIODOJGXHX-QGZVFWFLSA-N -1 3 357.454 3.269 20 0 FGADHM O=C([O-])N(CC1CC1)C1CCN(Cc2c[nH]nc2-c2ccccc2)CC1 ZINC000834062040 605612040 /nfs/dbraw/zinc/61/20/40/605612040.db2.gz DAZBAOLZASHKSP-UHFFFAOYSA-N -1 3 354.454 3.431 20 0 FGADHM CCOC(=O)Nc1ccc(NC(=O)C(C)=C2CCCC2)cc1-c1nnn[n-]1 ZINC000825523483 607761894 /nfs/dbraw/zinc/76/18/94/607761894.db2.gz QLTRCDJXUZHDOK-UHFFFAOYSA-N -1 3 370.413 3.264 20 0 FGADHM CCOC(=O)Nc1ccc(NC(=O)C(C)=C2CCCC2)cc1-c1nn[n-]n1 ZINC000825523483 607761895 /nfs/dbraw/zinc/76/18/95/607761895.db2.gz QLTRCDJXUZHDOK-UHFFFAOYSA-N -1 3 370.413 3.264 20 0 FGADHM O=C([O-])Nc1ccc(CC(=O)OCC2CCN(Cc3ccco3)CC2)cc1 ZINC000834254337 605828080 /nfs/dbraw/zinc/82/80/80/605828080.db2.gz AHQJLYANFAVWGG-UHFFFAOYSA-N -1 3 372.421 3.367 20 0 FGADHM O=C([O-])NC1CCC(N[C@H](CCO)c2ccccc2Br)CC1 ZINC000834163627 605915647 /nfs/dbraw/zinc/91/56/47/605915647.db2.gz BYBIARBTSRLJJT-KOHJWAIASA-N -1 3 371.275 3.041 20 0 FGADHM c1ccc2sc(CCNc3nc4c(cc3-c3nnn[n-]3)CCC4)nc2c1 ZINC000823802432 606037524 /nfs/dbraw/zinc/03/75/24/606037524.db2.gz NPHWITPIVQIJBM-UHFFFAOYSA-N -1 3 363.450 3.015 20 0 FGADHM c1ccc2sc(CCNc3nc4c(cc3-c3nn[n-]n3)CCC4)nc2c1 ZINC000823802432 606037527 /nfs/dbraw/zinc/03/75/27/606037527.db2.gz NPHWITPIVQIJBM-UHFFFAOYSA-N -1 3 363.450 3.015 20 0 FGADHM Fc1cc(CNc2ccc(-c3nnn[n-]3)nc2)ccc1Oc1cccnc1 ZINC000822748404 606058093 /nfs/dbraw/zinc/05/80/93/606058093.db2.gz XONLLEAFNQRJTD-UHFFFAOYSA-N -1 3 363.356 3.200 20 0 FGADHM Fc1cc(CNc2ccc(-c3nn[n-]n3)nc2)ccc1Oc1cccnc1 ZINC000822748404 606058094 /nfs/dbraw/zinc/05/80/94/606058094.db2.gz XONLLEAFNQRJTD-UHFFFAOYSA-N -1 3 363.356 3.200 20 0 FGADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)nc1)c1ccc(F)c(Br)c1 ZINC000821995000 606078156 /nfs/dbraw/zinc/07/81/56/606078156.db2.gz SZRLAVJGIWVTPV-MRVPVSSYSA-N -1 3 363.194 3.336 20 0 FGADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)nc1)c1ccc(F)c(Br)c1 ZINC000821995000 606078159 /nfs/dbraw/zinc/07/81/59/606078159.db2.gz SZRLAVJGIWVTPV-MRVPVSSYSA-N -1 3 363.194 3.336 20 0 FGADHM Cc1csc(C2(NCc3ccc(-c4nnn[n-]4)cc3F)CCCC2)n1 ZINC000822409350 606093988 /nfs/dbraw/zinc/09/39/88/606093988.db2.gz QRXMELZMPHFMGP-UHFFFAOYSA-N -1 3 358.446 3.330 20 0 FGADHM Cc1csc(C2(NCc3ccc(-c4nn[n-]n4)cc3F)CCCC2)n1 ZINC000822409350 606093991 /nfs/dbraw/zinc/09/39/91/606093991.db2.gz QRXMELZMPHFMGP-UHFFFAOYSA-N -1 3 358.446 3.330 20 0 FGADHM C[C@@H](CNc1nc2ccccc2cc1-c1nnn[n-]1)Oc1ccccc1F ZINC000820280545 606094151 /nfs/dbraw/zinc/09/41/51/606094151.db2.gz JBMCTXOJPOOAST-LBPRGKRZSA-N -1 3 364.384 3.433 20 0 FGADHM C[C@@H](CNc1nc2ccccc2cc1-c1nn[n-]n1)Oc1ccccc1F ZINC000820280545 606094155 /nfs/dbraw/zinc/09/41/55/606094155.db2.gz JBMCTXOJPOOAST-LBPRGKRZSA-N -1 3 364.384 3.433 20 0 FGADHM CC[C@@H](C)Oc1ccc(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000820876221 606125858 /nfs/dbraw/zinc/12/58/58/606125858.db2.gz NRULOHRGRSPOKK-GFCCVEGCSA-N -1 3 369.400 3.460 20 0 FGADHM CC[C@@H](C)Oc1ccc(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000820876221 606125859 /nfs/dbraw/zinc/12/58/59/606125859.db2.gz NRULOHRGRSPOKK-GFCCVEGCSA-N -1 3 369.400 3.460 20 0 FGADHM CCCC[C@H](Cc1ccccn1)OC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821042646 606134979 /nfs/dbraw/zinc/13/49/79/606134979.db2.gz GQBHTZWBRBNPSA-QGZVFWFLSA-N -1 3 351.410 3.220 20 0 FGADHM CCCC[C@H](Cc1ccccn1)OC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821042646 606134980 /nfs/dbraw/zinc/13/49/80/606134980.db2.gz GQBHTZWBRBNPSA-QGZVFWFLSA-N -1 3 351.410 3.220 20 0 FGADHM C[C@@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)c1nc2ccccc2o1 ZINC000820280330 606139917 /nfs/dbraw/zinc/13/99/17/606139917.db2.gz DNWFLBTXSIKRMK-VIFPVBQESA-N -1 3 355.789 3.272 20 0 FGADHM C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)c1nc2ccccc2o1 ZINC000820280330 606139918 /nfs/dbraw/zinc/13/99/18/606139918.db2.gz DNWFLBTXSIKRMK-VIFPVBQESA-N -1 3 355.789 3.272 20 0 FGADHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1N1CCC[C@@]2(CCCOC2)C1 ZINC000822718343 606142623 /nfs/dbraw/zinc/14/26/23/606142623.db2.gz IJOODEIYTICWJJ-MRXNPFEDSA-N -1 3 367.375 3.283 20 0 FGADHM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(-c2cccnc2)cc1 ZINC000820392696 606149536 /nfs/dbraw/zinc/14/95/36/606149536.db2.gz YXOORMUIOURDFD-CQSZACIVSA-N -1 3 370.416 3.420 20 0 FGADHM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(-c2cccnc2)cc1 ZINC000820392696 606149538 /nfs/dbraw/zinc/14/95/38/606149538.db2.gz YXOORMUIOURDFD-CQSZACIVSA-N -1 3 370.416 3.420 20 0 FGADHM CC(=O)c1ccc(F)cc1OCc1cn2ccccc2c1-c1nnn[n-]1 ZINC000819835270 606176697 /nfs/dbraw/zinc/17/66/97/606176697.db2.gz UPMBPQYKOUPWHN-UHFFFAOYSA-N -1 3 351.341 3.040 20 0 FGADHM CC(=O)c1ccc(F)cc1OCc1cn2ccccc2c1-c1nn[n-]n1 ZINC000819835270 606176698 /nfs/dbraw/zinc/17/66/98/606176698.db2.gz UPMBPQYKOUPWHN-UHFFFAOYSA-N -1 3 351.341 3.040 20 0 FGADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)N1CCSC2(CCCCC2)C1 ZINC000822979107 606188687 /nfs/dbraw/zinc/18/86/87/606188687.db2.gz WZNDAIPSNLZYTK-UHFFFAOYSA-N -1 3 371.510 3.078 20 0 FGADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)N1CCSC2(CCCCC2)C1 ZINC000822979107 606188689 /nfs/dbraw/zinc/18/86/89/606188689.db2.gz WZNDAIPSNLZYTK-UHFFFAOYSA-N -1 3 371.510 3.078 20 0 FGADHM C[C@@H](OC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1)c1cnccn1 ZINC000820512871 606205376 /nfs/dbraw/zinc/20/53/76/606205376.db2.gz OREKBYULAJBOQA-CYBMUJFWSA-N -1 3 372.388 3.242 20 0 FGADHM C[C@@H](OC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1)c1cnccn1 ZINC000820512871 606205377 /nfs/dbraw/zinc/20/53/77/606205377.db2.gz OREKBYULAJBOQA-CYBMUJFWSA-N -1 3 372.388 3.242 20 0 FGADHM Clc1ccc(NCCCc2nc3ccccc3[nH]2)c(-c2nnn[n-]2)c1 ZINC000822578321 606215393 /nfs/dbraw/zinc/21/53/93/606215393.db2.gz GOHWAUGJCCFTCV-UHFFFAOYSA-N -1 3 353.817 3.441 20 0 FGADHM Clc1ccc(NCCCc2nc3ccccc3[nH]2)c(-c2nn[n-]n2)c1 ZINC000822578321 606215395 /nfs/dbraw/zinc/21/53/95/606215395.db2.gz GOHWAUGJCCFTCV-UHFFFAOYSA-N -1 3 353.817 3.441 20 0 FGADHM C[C@]1(CNc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)CCCC[C@@H]1O ZINC000820622985 606242536 /nfs/dbraw/zinc/24/25/36/606242536.db2.gz ATTVOZRAYIIJTA-DZGCQCFKSA-N -1 3 355.364 3.239 20 0 FGADHM Cc1cc(Cl)ccc1N[C@@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O ZINC000822202254 606244070 /nfs/dbraw/zinc/24/40/70/606244070.db2.gz SJAAHNLQKAIDMT-CYBMUJFWSA-N -1 3 374.857 3.107 20 0 FGADHM Cc1cc(Cl)ccc1N[C@@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O ZINC000822202254 606244072 /nfs/dbraw/zinc/24/40/72/606244072.db2.gz SJAAHNLQKAIDMT-CYBMUJFWSA-N -1 3 374.857 3.107 20 0 FGADHM Cc1cccc(N[C@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)c1Cl ZINC000822323489 606250176 /nfs/dbraw/zinc/25/01/76/606250176.db2.gz IFGUEVORSCOLTO-LBPRGKRZSA-N -1 3 374.857 3.107 20 0 FGADHM Cc1cccc(N[C@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)c1Cl ZINC000822323489 606250177 /nfs/dbraw/zinc/25/01/77/606250177.db2.gz IFGUEVORSCOLTO-LBPRGKRZSA-N -1 3 374.857 3.107 20 0 FGADHM COc1cccc(C(C)=CC(=O)OCc2cc(-c3nnn[n-]3)ccc2F)c1 ZINC000821859822 606260213 /nfs/dbraw/zinc/26/02/13/606260213.db2.gz SXYDGYQFDBIFIW-XYOKQWHBSA-N -1 3 368.368 3.161 20 0 FGADHM COc1cccc(C(C)=CC(=O)OCc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC000821859822 606260215 /nfs/dbraw/zinc/26/02/15/606260215.db2.gz SXYDGYQFDBIFIW-XYOKQWHBSA-N -1 3 368.368 3.161 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)c1ccc(C(F)(F)F)cc1 ZINC000823347505 606262903 /nfs/dbraw/zinc/26/29/03/606262903.db2.gz YUIRIMNHVOVHBZ-UHFFFAOYSA-N -1 3 351.263 3.277 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)c1ccc(C(F)(F)F)cc1 ZINC000823347505 606262905 /nfs/dbraw/zinc/26/29/05/606262905.db2.gz YUIRIMNHVOVHBZ-UHFFFAOYSA-N -1 3 351.263 3.277 20 0 FGADHM Cc1cccc(OCCC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)c1C ZINC000822327522 606265129 /nfs/dbraw/zinc/26/51/29/606265129.db2.gz HUJCAOAUQAJADY-UHFFFAOYSA-N -1 3 355.373 3.030 20 0 FGADHM Cc1cccc(OCCC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)c1C ZINC000822327522 606265131 /nfs/dbraw/zinc/26/51/31/606265131.db2.gz HUJCAOAUQAJADY-UHFFFAOYSA-N -1 3 355.373 3.030 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)c1cccc(C(F)(F)F)c1F ZINC000823347224 606267802 /nfs/dbraw/zinc/26/78/02/606267802.db2.gz UPCHTISIZKVIOY-UHFFFAOYSA-N -1 3 369.253 3.416 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)c1cccc(C(F)(F)F)c1F ZINC000823347224 606267803 /nfs/dbraw/zinc/26/78/03/606267803.db2.gz UPCHTISIZKVIOY-UHFFFAOYSA-N -1 3 369.253 3.416 20 0 FGADHM Cc1ccc(OCCCC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000822263076 606268758 /nfs/dbraw/zinc/26/87/58/606268758.db2.gz IZXOBXYSEOXYQS-UHFFFAOYSA-N -1 3 355.373 3.112 20 0 FGADHM Cc1ccc(OCCCC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000822263076 606268760 /nfs/dbraw/zinc/26/87/60/606268760.db2.gz IZXOBXYSEOXYQS-UHFFFAOYSA-N -1 3 355.373 3.112 20 0 FGADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)N1CC2(CCCC2)c2ccccc21 ZINC000823074782 606276669 /nfs/dbraw/zinc/27/66/69/606276669.db2.gz VVHGOIDTVZQMOW-UHFFFAOYSA-N -1 3 359.433 3.268 20 0 FGADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)N1CC2(CCCC2)c2ccccc21 ZINC000823074782 606276672 /nfs/dbraw/zinc/27/66/72/606276672.db2.gz VVHGOIDTVZQMOW-UHFFFAOYSA-N -1 3 359.433 3.268 20 0 FGADHM O=C(Nc1ccc(CNc2ccccc2)cc1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823323558 606291058 /nfs/dbraw/zinc/29/10/58/606291058.db2.gz SWICGRHAPNPJAJ-UHFFFAOYSA-N -1 3 359.393 3.059 20 0 FGADHM O=C(Nc1ccc(CNc2ccccc2)cc1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823323558 606291060 /nfs/dbraw/zinc/29/10/60/606291060.db2.gz SWICGRHAPNPJAJ-UHFFFAOYSA-N -1 3 359.393 3.059 20 0 FGADHM COC(=O)[C@H](N[C@@H](C)c1ccc(C)cc1C)c1cccc(-c2nnn[n-]2)c1 ZINC000821640282 606300968 /nfs/dbraw/zinc/30/09/68/606300968.db2.gz FHUHMSNWZJNVDE-KBXCAEBGSA-N -1 3 365.437 3.048 20 0 FGADHM COC(=O)[C@H](N[C@@H](C)c1ccc(C)cc1C)c1cccc(-c2nn[n-]n2)c1 ZINC000821640282 606300970 /nfs/dbraw/zinc/30/09/70/606300970.db2.gz FHUHMSNWZJNVDE-KBXCAEBGSA-N -1 3 365.437 3.048 20 0 FGADHM CCc1nc(COc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)no1 ZINC000821510388 606307194 /nfs/dbraw/zinc/30/71/94/606307194.db2.gz ZWPVGVWDKMDUTO-UHFFFAOYSA-N -1 3 364.365 3.183 20 0 FGADHM CCc1nc(COc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)no1 ZINC000821510388 606307196 /nfs/dbraw/zinc/30/71/96/606307196.db2.gz ZWPVGVWDKMDUTO-UHFFFAOYSA-N -1 3 364.365 3.183 20 0 FGADHM Cc1ccccc1CS[C@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O ZINC000822361687 606310762 /nfs/dbraw/zinc/31/07/62/606310762.db2.gz GFLLORGQWLGHMQ-AWEZNQCLSA-N -1 3 371.491 3.275 20 0 FGADHM Cc1ccccc1CS[C@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O ZINC000822361687 606310763 /nfs/dbraw/zinc/31/07/63/606310763.db2.gz GFLLORGQWLGHMQ-AWEZNQCLSA-N -1 3 371.491 3.275 20 0 FGADHM C[C@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccc(F)c(F)c1 ZINC000820556614 606325894 /nfs/dbraw/zinc/32/58/94/606325894.db2.gz UWZNFEUQMVBCBI-VIFPVBQESA-N -1 3 361.377 3.264 20 0 FGADHM C[C@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccc(F)c(F)c1 ZINC000820556614 606325895 /nfs/dbraw/zinc/32/58/95/606325895.db2.gz UWZNFEUQMVBCBI-VIFPVBQESA-N -1 3 361.377 3.264 20 0 FGADHM COc1ccc2c(CSc3cccc(-c4nnn[n-]4)c3)cc(=O)oc2c1 ZINC000821849479 606326143 /nfs/dbraw/zinc/32/61/43/606326143.db2.gz JXDWYUOFUTUWQK-UHFFFAOYSA-N -1 3 366.402 3.274 20 0 FGADHM COc1ccc2c(CSc3cccc(-c4nn[n-]n4)c3)cc(=O)oc2c1 ZINC000821849479 606326145 /nfs/dbraw/zinc/32/61/45/606326145.db2.gz JXDWYUOFUTUWQK-UHFFFAOYSA-N -1 3 366.402 3.274 20 0 FGADHM Cc1ccc(OCC(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000822263348 606341893 /nfs/dbraw/zinc/34/18/93/606341893.db2.gz NSUUKGVCDLMEJT-AWEZNQCLSA-N -1 3 352.394 3.167 20 0 FGADHM Cc1ccc(OCC(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000822263348 606341895 /nfs/dbraw/zinc/34/18/95/606341895.db2.gz NSUUKGVCDLMEJT-AWEZNQCLSA-N -1 3 352.394 3.167 20 0 FGADHM C[C@@H](OC(=O)CCc1ccc(N(C)C)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820497689 606343825 /nfs/dbraw/zinc/34/38/25/606343825.db2.gz UNEKGNCJCNTMHK-CQSZACIVSA-N -1 3 365.437 3.170 20 0 FGADHM C[C@@H](OC(=O)CCc1ccc(N(C)C)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820497689 606343827 /nfs/dbraw/zinc/34/38/27/606343827.db2.gz UNEKGNCJCNTMHK-CQSZACIVSA-N -1 3 365.437 3.170 20 0 FGADHM C[C@@H](CNC(=O)Nc1ccc(F)cc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000820269887 606347062 /nfs/dbraw/zinc/34/70/62/606347062.db2.gz PJHCNKLVRSDJPK-JTQLQIEISA-N -1 3 358.352 3.070 20 0 FGADHM C[C@@H](CNC(=O)Nc1ccc(F)cc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000820269887 606347064 /nfs/dbraw/zinc/34/70/64/606347064.db2.gz PJHCNKLVRSDJPK-JTQLQIEISA-N -1 3 358.352 3.070 20 0 FGADHM C[C@@H](OC(=O)CCc1cc(F)ccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000820494603 606347408 /nfs/dbraw/zinc/34/74/08/606347408.db2.gz BMRAKHWDEDIVOV-LLVKDONJSA-N -1 3 358.348 3.382 20 0 FGADHM C[C@@H](OC(=O)CCc1cc(F)ccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000820494603 606347409 /nfs/dbraw/zinc/34/74/09/606347409.db2.gz BMRAKHWDEDIVOV-LLVKDONJSA-N -1 3 358.348 3.382 20 0 FGADHM Cc1ccc(O[C@@H](C)C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822258775 606349858 /nfs/dbraw/zinc/34/98/58/606349858.db2.gz CHZHLTJHFHUHGL-KBPBESRZSA-N -1 3 352.394 3.247 20 0 FGADHM Cc1ccc(O[C@@H](C)C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822258775 606349859 /nfs/dbraw/zinc/34/98/59/606349859.db2.gz CHZHLTJHFHUHGL-KBPBESRZSA-N -1 3 352.394 3.247 20 0 FGADHM Cc1cnn(-c2ccc(C(=O)O[C@H](C)c3ccc(-c4nnn[n-]4)cc3)cc2)c1 ZINC000822399659 606350683 /nfs/dbraw/zinc/35/06/83/606350683.db2.gz MFJSHKBRWHZEJB-CQSZACIVSA-N -1 3 374.404 3.279 20 0 FGADHM Cc1cnn(-c2ccc(C(=O)O[C@H](C)c3ccc(-c4nn[n-]n4)cc3)cc2)c1 ZINC000822399659 606350685 /nfs/dbraw/zinc/35/06/85/606350685.db2.gz MFJSHKBRWHZEJB-CQSZACIVSA-N -1 3 374.404 3.279 20 0 FGADHM C[C@H](OC(=O)c1cccc(N2CC=CC2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820512458 606351087 /nfs/dbraw/zinc/35/10/87/606351087.db2.gz KUUPPFVSOWMXBH-AWEZNQCLSA-N -1 3 361.405 3.161 20 0 FGADHM C[C@H](OC(=O)c1cccc(N2CC=CC2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820512458 606351088 /nfs/dbraw/zinc/35/10/88/606351088.db2.gz KUUPPFVSOWMXBH-AWEZNQCLSA-N -1 3 361.405 3.161 20 0 FGADHM C[C@H](OC(=O)c1nc(Cl)ccc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000820518825 606358413 /nfs/dbraw/zinc/35/84/13/606358413.db2.gz LNUFUPMFQGXNEF-QMMMGPOBSA-N -1 3 364.192 3.487 20 0 FGADHM C[C@H](OC(=O)c1nc(Cl)ccc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000820518825 606358415 /nfs/dbraw/zinc/35/84/15/606358415.db2.gz LNUFUPMFQGXNEF-QMMMGPOBSA-N -1 3 364.192 3.487 20 0 FGADHM COc1cccc(SCC(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821877878 606358593 /nfs/dbraw/zinc/35/85/93/606358593.db2.gz YDMMWHBUHSQMEC-GFCCVEGCSA-N -1 3 370.434 3.272 20 0 FGADHM COc1cccc(SCC(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821877878 606358594 /nfs/dbraw/zinc/35/85/94/606358594.db2.gz YDMMWHBUHSQMEC-GFCCVEGCSA-N -1 3 370.434 3.272 20 0 FGADHM COc1cccc(SCC(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821877879 606358867 /nfs/dbraw/zinc/35/88/67/606358867.db2.gz YDMMWHBUHSQMEC-LBPRGKRZSA-N -1 3 370.434 3.272 20 0 FGADHM COc1cccc(SCC(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821877879 606358868 /nfs/dbraw/zinc/35/88/68/606358868.db2.gz YDMMWHBUHSQMEC-LBPRGKRZSA-N -1 3 370.434 3.272 20 0 FGADHM C[C@@H](OC(=O)[C@@H]1CCOc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000820488893 606359178 /nfs/dbraw/zinc/35/91/78/606359178.db2.gz WEXHCYXLLXEPBU-MLGOLLRUSA-N -1 3 350.378 3.037 20 0 FGADHM C[C@@H](OC(=O)[C@@H]1CCOc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000820488893 606359179 /nfs/dbraw/zinc/35/91/79/606359179.db2.gz WEXHCYXLLXEPBU-MLGOLLRUSA-N -1 3 350.378 3.037 20 0 FGADHM CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000820938432 606372216 /nfs/dbraw/zinc/37/22/16/606372216.db2.gz IPDYKEKPKMAMMB-AWEZNQCLSA-N -1 3 357.801 3.316 20 0 FGADHM CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000820938432 606372217 /nfs/dbraw/zinc/37/22/17/606372217.db2.gz IPDYKEKPKMAMMB-AWEZNQCLSA-N -1 3 357.801 3.316 20 0 FGADHM CCS[C@@H]1CCC[C@@H](NC(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000821455557 606382640 /nfs/dbraw/zinc/38/26/40/606382640.db2.gz KOWRCHZYTIMVKM-APHBMKBZSA-N -1 3 374.514 3.291 20 0 FGADHM CCS[C@@H]1CCC[C@@H](NC(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821455557 606382642 /nfs/dbraw/zinc/38/26/42/606382642.db2.gz KOWRCHZYTIMVKM-APHBMKBZSA-N -1 3 374.514 3.291 20 0 FGADHM Cc1nc(Cl)sc1C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000822449784 606434619 /nfs/dbraw/zinc/43/46/19/606434619.db2.gz ORXMZEQCUYAMRK-UHFFFAOYSA-N -1 3 355.210 3.191 20 0 FGADHM Cc1nc(Cl)sc1C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000822449784 606434621 /nfs/dbraw/zinc/43/46/21/606434621.db2.gz ORXMZEQCUYAMRK-UHFFFAOYSA-N -1 3 355.210 3.191 20 0 FGADHM C[C@@H](NC(=O)CCc1ccc(-c2nnn[n-]2)cc1)c1c(F)cccc1Cl ZINC000820327775 606444457 /nfs/dbraw/zinc/44/44/57/606444457.db2.gz KAKSDZTYRYJZOB-LLVKDONJSA-N -1 3 373.819 3.469 20 0 FGADHM C[C@@H](NC(=O)CCc1ccc(-c2nn[n-]n2)cc1)c1c(F)cccc1Cl ZINC000820327775 606444458 /nfs/dbraw/zinc/44/44/58/606444458.db2.gz KAKSDZTYRYJZOB-LLVKDONJSA-N -1 3 373.819 3.469 20 0 FGADHM O=C(Oc1ccc(Br)cc1F)c1cc(-c2nnn[n-]2)cs1 ZINC000823450243 606462206 /nfs/dbraw/zinc/46/22/06/606462206.db2.gz LPBPVWYNDNOZAC-UHFFFAOYSA-N -1 3 369.175 3.049 20 0 FGADHM O=C(Oc1ccc(Br)cc1F)c1cc(-c2nn[n-]n2)cs1 ZINC000823450243 606462208 /nfs/dbraw/zinc/46/22/08/606462208.db2.gz LPBPVWYNDNOZAC-UHFFFAOYSA-N -1 3 369.175 3.049 20 0 FGADHM Clc1cc(-c2nnn[n-]2)cnc1NC[C@H]1SCCc2ccccc21 ZINC000822567896 606477947 /nfs/dbraw/zinc/47/79/47/606477947.db2.gz IHBVKBYSHRBZDR-CQSZACIVSA-N -1 3 358.858 3.358 20 0 FGADHM Clc1cc(-c2nn[n-]n2)cnc1NC[C@H]1SCCc2ccccc21 ZINC000822567896 606477949 /nfs/dbraw/zinc/47/79/49/606477949.db2.gz IHBVKBYSHRBZDR-CQSZACIVSA-N -1 3 358.858 3.358 20 0 FGADHM O=C(N[C@@H]1CCCC[C@@H]1c1ccccc1)c1cc(-c2nnn[n-]2)cs1 ZINC000823150597 606498091 /nfs/dbraw/zinc/49/80/91/606498091.db2.gz QRSTYDLECKROHY-HUUCEWRRSA-N -1 3 353.451 3.384 20 0 FGADHM O=C(N[C@@H]1CCCC[C@@H]1c1ccccc1)c1cc(-c2nn[n-]n2)cs1 ZINC000823150597 606498092 /nfs/dbraw/zinc/49/80/92/606498092.db2.gz QRSTYDLECKROHY-HUUCEWRRSA-N -1 3 353.451 3.384 20 0 FGADHM CC(C)(CNC(=O)c1cc(-c2nnn[n-]2)cs1)c1ccccc1Cl ZINC000819980629 606506863 /nfs/dbraw/zinc/50/68/63/606506863.db2.gz FVDMFCQNAXFSOJ-UHFFFAOYSA-N -1 3 361.858 3.289 20 0 FGADHM CC(C)(CNC(=O)c1cc(-c2nn[n-]n2)cs1)c1ccccc1Cl ZINC000819980629 606506865 /nfs/dbraw/zinc/50/68/65/606506865.db2.gz FVDMFCQNAXFSOJ-UHFFFAOYSA-N -1 3 361.858 3.289 20 0 FGADHM COc1ccccc1[C@H]1CCCCN1C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000821889742 606509663 /nfs/dbraw/zinc/50/96/63/606509663.db2.gz FLRFXXBNPRWJTO-CQSZACIVSA-N -1 3 369.450 3.304 20 0 FGADHM COc1ccccc1[C@H]1CCCCN1C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000821889742 606509664 /nfs/dbraw/zinc/50/96/64/606509664.db2.gz FLRFXXBNPRWJTO-CQSZACIVSA-N -1 3 369.450 3.304 20 0 FGADHM O=C(c1cc(-c2nnn[n-]2)cs1)N1CCC(Cc2ccccc2F)CC1 ZINC000823465963 606542575 /nfs/dbraw/zinc/54/25/75/606542575.db2.gz CYFKDUKUCVWPQG-UHFFFAOYSA-N -1 3 371.441 3.162 20 0 FGADHM O=C(c1cc(-c2nn[n-]n2)cs1)N1CCC(Cc2ccccc2F)CC1 ZINC000823465963 606542577 /nfs/dbraw/zinc/54/25/77/606542577.db2.gz CYFKDUKUCVWPQG-UHFFFAOYSA-N -1 3 371.441 3.162 20 0 FGADHM C[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)cs2)[C@@H]1c1cccc(F)c1 ZINC000820716048 606546079 /nfs/dbraw/zinc/54/60/79/606546079.db2.gz GTCAUPKYZMENSP-BONVTDFDSA-N -1 3 357.414 3.291 20 0 FGADHM C[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)cs2)[C@@H]1c1cccc(F)c1 ZINC000820716048 606546081 /nfs/dbraw/zinc/54/60/81/606546081.db2.gz GTCAUPKYZMENSP-BONVTDFDSA-N -1 3 357.414 3.291 20 0 FGADHM CC(C)(C)CN(Cc1ccccc1)C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000819914542 606550205 /nfs/dbraw/zinc/55/02/05/606550205.db2.gz WEJVWPXPNQGBDB-UHFFFAOYSA-N -1 3 363.465 3.484 20 0 FGADHM CC(C)(C)CN(Cc1ccccc1)C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000819914542 606550206 /nfs/dbraw/zinc/55/02/06/606550206.db2.gz WEJVWPXPNQGBDB-UHFFFAOYSA-N -1 3 363.465 3.484 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1ccnc(-c2ccccc2)c1 ZINC000823109042 606559138 /nfs/dbraw/zinc/55/91/38/606559138.db2.gz WEALVTZDQIDYLJ-UHFFFAOYSA-N -1 3 356.389 3.110 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1ccnc(-c2ccccc2)c1 ZINC000823109042 606559139 /nfs/dbraw/zinc/55/91/39/606559139.db2.gz WEALVTZDQIDYLJ-UHFFFAOYSA-N -1 3 356.389 3.110 20 0 FGADHM CC(C)Cc1ccc(C(=O)COC(=O)c2cc(-c3nnn[n-]3)cs2)cc1 ZINC000820109030 606566495 /nfs/dbraw/zinc/56/64/95/606566495.db2.gz ZXKOZJXSSXLNOX-UHFFFAOYSA-N -1 3 370.434 3.166 20 0 FGADHM CC(C)Cc1ccc(C(=O)COC(=O)c2cc(-c3nn[n-]n3)cs2)cc1 ZINC000820109030 606566496 /nfs/dbraw/zinc/56/64/96/606566496.db2.gz ZXKOZJXSSXLNOX-UHFFFAOYSA-N -1 3 370.434 3.166 20 0 FGADHM O=C(COC(=O)c1cc(-c2nnn[n-]2)cs1)c1ccc2ccccc2c1 ZINC000823027333 606567629 /nfs/dbraw/zinc/56/76/29/606567629.db2.gz RHQNSUKGZDWWQD-UHFFFAOYSA-N -1 3 364.386 3.121 20 0 FGADHM O=C(COC(=O)c1cc(-c2nn[n-]n2)cs1)c1ccc2ccccc2c1 ZINC000823027333 606567631 /nfs/dbraw/zinc/56/76/31/606567631.db2.gz RHQNSUKGZDWWQD-UHFFFAOYSA-N -1 3 364.386 3.121 20 0 FGADHM CCC[C@H](CCc1ccccc1)NC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821022780 606572166 /nfs/dbraw/zinc/57/21/66/606572166.db2.gz UUQDURNRYOFDAS-LJQANCHMSA-N -1 3 363.465 3.327 20 0 FGADHM CCC[C@H](CCc1ccccc1)NC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821022780 606572167 /nfs/dbraw/zinc/57/21/67/606572167.db2.gz UUQDURNRYOFDAS-LJQANCHMSA-N -1 3 363.465 3.327 20 0 FGADHM C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000820668160 606574116 /nfs/dbraw/zinc/57/41/16/606574116.db2.gz QPEGOWVGZCFTQT-SCLBCKFNSA-N -1 3 365.412 3.158 20 0 FGADHM C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000820668160 606574118 /nfs/dbraw/zinc/57/41/18/606574118.db2.gz QPEGOWVGZCFTQT-SCLBCKFNSA-N -1 3 365.412 3.158 20 0 FGADHM C[C@H]1CCN(C(=O)Cc2cccc(-c3nnn[n-]3)c2)[C@H](c2ccco2)C1 ZINC000820717411 606578826 /nfs/dbraw/zinc/57/88/26/606578826.db2.gz QOZKYFAXVNJKMH-BBRMVZONSA-N -1 3 351.410 3.002 20 0 FGADHM C[C@H]1CCN(C(=O)Cc2cccc(-c3nn[n-]n3)c2)[C@H](c2ccco2)C1 ZINC000820717411 606578828 /nfs/dbraw/zinc/57/88/28/606578828.db2.gz QOZKYFAXVNJKMH-BBRMVZONSA-N -1 3 351.410 3.002 20 0 FGADHM Oc1ccccc1SCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000823733372 606591881 /nfs/dbraw/zinc/59/18/81/606591881.db2.gz VVCFUWBHUXKWDQ-UHFFFAOYSA-N -1 3 350.350 3.466 20 0 FGADHM Oc1ccccc1SCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000823733372 606591883 /nfs/dbraw/zinc/59/18/83/606591883.db2.gz VVCFUWBHUXKWDQ-UHFFFAOYSA-N -1 3 350.350 3.466 20 0 FGADHM Cc1cc(CSCc2ccc(-c3nnn[n-]3)cc2OC(F)F)no1 ZINC000822201142 606598795 /nfs/dbraw/zinc/59/87/95/606598795.db2.gz SGMPGXMCFKAVMT-UHFFFAOYSA-N -1 3 353.354 3.198 20 0 FGADHM Cc1cc(CSCc2ccc(-c3nn[n-]n3)cc2OC(F)F)no1 ZINC000822201142 606598796 /nfs/dbraw/zinc/59/87/96/606598796.db2.gz SGMPGXMCFKAVMT-UHFFFAOYSA-N -1 3 353.354 3.198 20 0 FGADHM O=C(CCc1ccoc1)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000822983112 606601512 /nfs/dbraw/zinc/60/15/12/606601512.db2.gz KICAFUIIFUEOJF-UHFFFAOYSA-N -1 3 357.439 3.361 20 0 FGADHM O=C(CCc1ccoc1)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000822983112 606601514 /nfs/dbraw/zinc/60/15/14/606601514.db2.gz KICAFUIIFUEOJF-UHFFFAOYSA-N -1 3 357.439 3.361 20 0 FGADHM O=C(c1ccc(-c2nnn[n-]2)cc1)N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000823478797 606602456 /nfs/dbraw/zinc/60/24/56/606602456.db2.gz SRVYJYJOAFYJAY-QGZVFWFLSA-N -1 3 351.385 3.373 20 0 FGADHM O=C(c1ccc(-c2nn[n-]n2)cc1)N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000823478797 606602457 /nfs/dbraw/zinc/60/24/57/606602457.db2.gz SRVYJYJOAFYJAY-QGZVFWFLSA-N -1 3 351.385 3.373 20 0 FGADHM COc1cccc([C@H](C)CC(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821859849 606602791 /nfs/dbraw/zinc/60/27/91/606602791.db2.gz UHDKVIMNCJSIGX-ZIAGYGMSSA-N -1 3 365.437 3.246 20 0 FGADHM COc1cccc([C@H](C)CC(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821859849 606602792 /nfs/dbraw/zinc/60/27/92/606602792.db2.gz UHDKVIMNCJSIGX-ZIAGYGMSSA-N -1 3 365.437 3.246 20 0 FGADHM CC(C)CC(C)(C)C(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000820051735 606603277 /nfs/dbraw/zinc/60/32/77/606603277.db2.gz USBXMCRCALYTIV-UHFFFAOYSA-N -1 3 371.485 3.309 20 0 FGADHM CCc1ccc(C(C)(C)C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000821475812 606631924 /nfs/dbraw/zinc/63/19/24/606631924.db2.gz AEXCCHSARLIGFP-UHFFFAOYSA-N -1 3 367.428 3.162 20 0 FGADHM CCc1ccc(C(C)(C)C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000821475812 606631925 /nfs/dbraw/zinc/63/19/25/606631925.db2.gz AEXCCHSARLIGFP-UHFFFAOYSA-N -1 3 367.428 3.162 20 0 FGADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)nc1)c1cccc(OC(F)(F)F)c1 ZINC000820456072 606634196 /nfs/dbraw/zinc/63/41/96/606634196.db2.gz PLIOFEVYGSOOBC-SECBINFHSA-N -1 3 350.304 3.333 20 0 FGADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)nc1)c1cccc(OC(F)(F)F)c1 ZINC000820456072 606634197 /nfs/dbraw/zinc/63/41/97/606634197.db2.gz PLIOFEVYGSOOBC-SECBINFHSA-N -1 3 350.304 3.333 20 0 FGADHM FC(F)(F)c1cc(NC[C@@H]2CSCCS2)ccc1-c1nnn[n-]1 ZINC000822723974 606637389 /nfs/dbraw/zinc/63/73/89/606637389.db2.gz VDKCTYBKBRMDKL-SECBINFHSA-N -1 3 361.418 3.146 20 0 FGADHM FC(F)(F)c1cc(NC[C@@H]2CSCCS2)ccc1-c1nn[n-]n1 ZINC000822723974 606637390 /nfs/dbraw/zinc/63/73/90/606637390.db2.gz VDKCTYBKBRMDKL-SECBINFHSA-N -1 3 361.418 3.146 20 0 FGADHM O=C(c1sccc1-c1nnn[n-]1)N1CCCCC[C@@H]1[C@@H]1CCCCC1=O ZINC000823524749 606659500 /nfs/dbraw/zinc/65/95/00/606659500.db2.gz BNLDHGYFFKXMJB-GXTWGEPZSA-N -1 3 373.482 3.072 20 0 FGADHM O=C(c1sccc1-c1nn[n-]n1)N1CCCCC[C@@H]1[C@@H]1CCCCC1=O ZINC000823524749 606659501 /nfs/dbraw/zinc/65/95/01/606659501.db2.gz BNLDHGYFFKXMJB-GXTWGEPZSA-N -1 3 373.482 3.072 20 0 FGADHM COC[C@H](C)CC(=O)Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821681482 606662916 /nfs/dbraw/zinc/66/29/16/606662916.db2.gz LTCBEKSXZLQCGM-CYBMUJFWSA-N -1 3 352.394 3.112 20 0 FGADHM COC[C@H](C)CC(=O)Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821681482 606662917 /nfs/dbraw/zinc/66/29/17/606662917.db2.gz LTCBEKSXZLQCGM-CYBMUJFWSA-N -1 3 352.394 3.112 20 0 FGADHM O=C(Nc1ccccc1-c1nnn[n-]1)c1cnc(Cc2ccccc2)s1 ZINC000823367204 606664083 /nfs/dbraw/zinc/66/40/83/606664083.db2.gz GETFGOKOFHZHQC-UHFFFAOYSA-N -1 3 362.418 3.166 20 0 FGADHM O=C(Nc1ccccc1-c1nn[n-]n1)c1cnc(Cc2ccccc2)s1 ZINC000823367204 606664084 /nfs/dbraw/zinc/66/40/84/606664084.db2.gz GETFGOKOFHZHQC-UHFFFAOYSA-N -1 3 362.418 3.166 20 0 FGADHM Cc1ccc([C@H](C)NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c(C)c1 ZINC000822229361 606668132 /nfs/dbraw/zinc/66/81/32/606668132.db2.gz SEQDRFGEKNIBEC-NSHDSACASA-N -1 3 357.364 3.253 20 0 FGADHM Cc1ccc([C@H](C)NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c(C)c1 ZINC000822229361 606668133 /nfs/dbraw/zinc/66/81/33/606668133.db2.gz SEQDRFGEKNIBEC-NSHDSACASA-N -1 3 357.364 3.253 20 0 FGADHM CCN(C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1cc(C)ccc1C ZINC000821154529 606670920 /nfs/dbraw/zinc/67/09/20/606670920.db2.gz OPOXYCIAARDRAQ-UHFFFAOYSA-N -1 3 357.364 3.428 20 0 FGADHM CCN(C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1cc(C)ccc1C ZINC000821154529 606670921 /nfs/dbraw/zinc/67/09/21/606670921.db2.gz OPOXYCIAARDRAQ-UHFFFAOYSA-N -1 3 357.364 3.428 20 0 FGADHM C[C@]1(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCCC3)CCCO1 ZINC000820577348 606673524 /nfs/dbraw/zinc/67/35/24/606673524.db2.gz OXYILWFUTWVHRZ-QGZVFWFLSA-N -1 3 361.471 3.095 20 0 FGADHM C[C@]1(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCCC3)CCCO1 ZINC000820577348 606673525 /nfs/dbraw/zinc/67/35/25/606673525.db2.gz OXYILWFUTWVHRZ-QGZVFWFLSA-N -1 3 361.471 3.095 20 0 FGADHM O=C(N[C@H]1CCCCc2ccccc21)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823150873 606676411 /nfs/dbraw/zinc/67/64/11/606676411.db2.gz VAPJRTFCNRLCKZ-INIZCTEOSA-N -1 3 369.375 3.342 20 0 FGADHM O=C(N[C@H]1CCCCc2ccccc21)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823150873 606676412 /nfs/dbraw/zinc/67/64/12/606676412.db2.gz VAPJRTFCNRLCKZ-INIZCTEOSA-N -1 3 369.375 3.342 20 0 FGADHM CO[C@@H](C)c1cccc(NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c1 ZINC000821673784 606677100 /nfs/dbraw/zinc/67/71/00/606677100.db2.gz LIFMZXLNXJRPCM-VIFPVBQESA-N -1 3 359.336 3.105 20 0 FGADHM CO[C@@H](C)c1cccc(NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c1 ZINC000821673784 606677101 /nfs/dbraw/zinc/67/71/01/606677101.db2.gz LIFMZXLNXJRPCM-VIFPVBQESA-N -1 3 359.336 3.105 20 0 FGADHM O=C(c1c(F)cc(-c2nnn[n-]2)cc1F)N1CCC[C@@]2(CC=CCC2)C1 ZINC000823454735 606680135 /nfs/dbraw/zinc/68/01/35/606680135.db2.gz SIHCBDZQGGOOGI-SFHVURJKSA-N -1 3 359.380 3.107 20 0 FGADHM O=C(c1c(F)cc(-c2nn[n-]n2)cc1F)N1CCC[C@@]2(CC=CCC2)C1 ZINC000823454735 606680136 /nfs/dbraw/zinc/68/01/36/606680136.db2.gz SIHCBDZQGGOOGI-SFHVURJKSA-N -1 3 359.380 3.107 20 0 FGADHM O=C(Oc1cc(Cl)ccc1F)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823444135 606681217 /nfs/dbraw/zinc/68/12/17/606681217.db2.gz JCZZQJSKLBLALG-UHFFFAOYSA-N -1 3 354.675 3.157 20 0 FGADHM O=C(Oc1cc(Cl)ccc1F)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823444135 606681218 /nfs/dbraw/zinc/68/12/18/606681218.db2.gz JCZZQJSKLBLALG-UHFFFAOYSA-N -1 3 354.675 3.157 20 0 FGADHM C[C@H]1c2c(F)cccc2CCN1C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820822533 606681458 /nfs/dbraw/zinc/68/14/58/606681458.db2.gz ZIFNBWAFKXVJAW-VIFPVBQESA-N -1 3 373.338 3.044 20 0 FGADHM C[C@H]1c2c(F)cccc2CCN1C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820822533 606681459 /nfs/dbraw/zinc/68/14/59/606681459.db2.gz ZIFNBWAFKXVJAW-VIFPVBQESA-N -1 3 373.338 3.044 20 0 FGADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@H](C)c1cc(F)cc(F)c1 ZINC000820530203 606686486 /nfs/dbraw/zinc/68/64/86/606686486.db2.gz XVSAULSOSLVVBP-GHMZBOCLSA-N -1 3 374.347 3.217 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N1CC[C@@H](c2ccc(F)cc2)C1 ZINC000822928963 606690530 /nfs/dbraw/zinc/69/05/30/606690530.db2.gz OLECFNNBQHEPJM-OJXHRBAXSA-N -1 3 363.396 3.035 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N1CC[C@@H](c2ccc(F)cc2)C1 ZINC000822928963 606690531 /nfs/dbraw/zinc/69/05/31/606690531.db2.gz OLECFNNBQHEPJM-OJXHRBAXSA-N -1 3 363.396 3.035 20 0 FGADHM CC(C)[C@@H]1CCN(C(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000820038123 606694629 /nfs/dbraw/zinc/69/46/29/606694629.db2.gz LFKDQGWLJFJYQN-SNVBAGLBSA-N -1 3 350.879 3.195 20 0 FGADHM CC(C)[C@@H]1CCN(C(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000820038123 606694630 /nfs/dbraw/zinc/69/46/30/606694630.db2.gz LFKDQGWLJFJYQN-SNVBAGLBSA-N -1 3 350.879 3.195 20 0 FGADHM Cc1csc(CNc2ccccc2Oc2ncccc2-c2nnn[n-]2)n1 ZINC000822414689 606708108 /nfs/dbraw/zinc/70/81/08/606708108.db2.gz PXODDKXKBORMDH-UHFFFAOYSA-N -1 3 365.422 3.431 20 0 FGADHM CCOCCC1(CNc2c(-c3nnn[n-]3)cnc3ccccc32)CCCC1 ZINC000821373875 606720917 /nfs/dbraw/zinc/72/09/17/606720917.db2.gz NDXRYLUSOAXMRL-UHFFFAOYSA-N -1 3 366.469 3.236 20 0 FGADHM CCOCCC1(CNc2c(-c3nn[n-]n3)cnc3ccccc32)CCCC1 ZINC000821373875 606720918 /nfs/dbraw/zinc/72/09/18/606720918.db2.gz NDXRYLUSOAXMRL-UHFFFAOYSA-N -1 3 366.469 3.236 20 0 FGADHM COCCC1(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CCC1 ZINC000821686497 606734637 /nfs/dbraw/zinc/73/46/37/606734637.db2.gz SGPLMFSDINCJFF-UHFFFAOYSA-N -1 3 369.347 3.031 20 0 FGADHM COCCC1(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CCC1 ZINC000821686497 606734639 /nfs/dbraw/zinc/73/46/39/606734639.db2.gz SGPLMFSDINCJFF-UHFFFAOYSA-N -1 3 369.347 3.031 20 0 FGADHM COc1cccc([C@H](C)OC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c1 ZINC000821857805 606749329 /nfs/dbraw/zinc/74/93/29/606749329.db2.gz AOXZBYSQJQMSHC-VIFPVBQESA-N -1 3 360.320 3.072 20 0 FGADHM COc1cccc([C@H](C)OC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c1 ZINC000821857805 606749331 /nfs/dbraw/zinc/74/93/31/606749331.db2.gz AOXZBYSQJQMSHC-VIFPVBQESA-N -1 3 360.320 3.072 20 0 FGADHM Cc1ccc(NC(=O)COc2cc(Cl)ccc2-c2nnn[n-]2)c(C)c1 ZINC000822248683 606783231 /nfs/dbraw/zinc/78/32/31/606783231.db2.gz IMVHXVFRGNLBSR-UHFFFAOYSA-N -1 3 357.801 3.154 20 0 FGADHM Cc1ccc(NC(=O)COc2cc(Cl)ccc2-c2nn[n-]n2)c(C)c1 ZINC000822248683 606783233 /nfs/dbraw/zinc/78/32/33/606783233.db2.gz IMVHXVFRGNLBSR-UHFFFAOYSA-N -1 3 357.801 3.154 20 0 FGADHM O=C(OC[C@@H]1CCSC1)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000823401575 606802299 /nfs/dbraw/zinc/80/22/99/606802299.db2.gz XCRFTIBJEJWPQK-ZDUSSCGKSA-N -1 3 366.446 3.444 20 0 FGADHM O=C(OC[C@@H]1CCSC1)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000823401575 606802301 /nfs/dbraw/zinc/80/23/01/606802301.db2.gz XCRFTIBJEJWPQK-ZDUSSCGKSA-N -1 3 366.446 3.444 20 0 FGADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)CC1CCSCC1 ZINC000820086814 606802322 /nfs/dbraw/zinc/80/23/22/606802322.db2.gz GBSRRWHHIZXBMG-UHFFFAOYSA-N -1 3 373.526 3.385 20 0 FGADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)CC1CCSCC1 ZINC000820086814 606802323 /nfs/dbraw/zinc/80/23/23/606802323.db2.gz GBSRRWHHIZXBMG-UHFFFAOYSA-N -1 3 373.526 3.385 20 0 FGADHM COc1ccccc1N1CC[C@@H](Nc2cc(Cl)ccc2-c2nnn[n-]2)C1 ZINC000821898537 606809659 /nfs/dbraw/zinc/80/96/59/606809659.db2.gz PWZGWRRNPKORAN-CYBMUJFWSA-N -1 3 370.844 3.220 20 0 FGADHM COc1ccccc1N1CC[C@@H](Nc2cc(Cl)ccc2-c2nn[n-]n2)C1 ZINC000821898537 606809662 /nfs/dbraw/zinc/80/96/62/606809662.db2.gz PWZGWRRNPKORAN-CYBMUJFWSA-N -1 3 370.844 3.220 20 0 FGADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCCCC2)[C@H]1CCSC1 ZINC000823387609 606812044 /nfs/dbraw/zinc/81/20/44/606812044.db2.gz QMPQMGLWZHMLFO-JTQLQIEISA-N -1 3 363.512 3.279 20 0 FGADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCCCC2)[C@H]1CCSC1 ZINC000823387609 606812046 /nfs/dbraw/zinc/81/20/46/606812046.db2.gz QMPQMGLWZHMLFO-JTQLQIEISA-N -1 3 363.512 3.279 20 0 FGADHM CC[C@H](C)Oc1cc(C)ccc1CNC(=O)c1sccc1-c1nnn[n-]1 ZINC000820877047 606812544 /nfs/dbraw/zinc/81/25/44/606812544.db2.gz YSFGJYPVALDDRK-LBPRGKRZSA-N -1 3 371.466 3.344 20 0 FGADHM CC[C@H](C)Oc1cc(C)ccc1CNC(=O)c1sccc1-c1nn[n-]n1 ZINC000820877047 606812546 /nfs/dbraw/zinc/81/25/46/606812546.db2.gz YSFGJYPVALDDRK-LBPRGKRZSA-N -1 3 371.466 3.344 20 0 FGADHM O=C(c1ccc(-c2nnn[n-]2)cc1)N1CCCC[C@H]1c1nc2ccccc2o1 ZINC000823477769 606814600 /nfs/dbraw/zinc/81/46/00/606814600.db2.gz BKBZZOAFIFMXSL-INIZCTEOSA-N -1 3 374.404 3.375 20 0 FGADHM O=C(c1ccc(-c2nn[n-]n2)cc1)N1CCCC[C@H]1c1nc2ccccc2o1 ZINC000823477769 606814602 /nfs/dbraw/zinc/81/46/02/606814602.db2.gz BKBZZOAFIFMXSL-INIZCTEOSA-N -1 3 374.404 3.375 20 0 FGADHM CCCC[C@H](NC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1)C1CCC1 ZINC000821044274 606816817 /nfs/dbraw/zinc/81/68/17/606816817.db2.gz YKBOWTPDYORRCT-GUYCJALGSA-N -1 3 357.458 3.109 20 0 FGADHM C[C@@H](NC(=O)N1CCc2c1cccc2Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000820349855 606833734 /nfs/dbraw/zinc/83/37/34/606833734.db2.gz JLPAUXMUGYQJOQ-LLVKDONJSA-N -1 3 368.828 3.353 20 0 FGADHM C[C@@H](NC(=O)N1CCc2c1cccc2Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000820349855 606833736 /nfs/dbraw/zinc/83/37/36/606833736.db2.gz JLPAUXMUGYQJOQ-LLVKDONJSA-N -1 3 368.828 3.353 20 0 FGADHM CNC(=O)c1ccc(CSc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000821635229 606853735 /nfs/dbraw/zinc/85/37/35/606853735.db2.gz RZCWOFVURMELCM-UHFFFAOYSA-N -1 3 359.842 3.172 20 0 FGADHM CNC(=O)c1ccc(CSc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000821635229 606853736 /nfs/dbraw/zinc/85/37/36/606853736.db2.gz RZCWOFVURMELCM-UHFFFAOYSA-N -1 3 359.842 3.172 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NCc1ccn(C2CCCC2)n1 ZINC000821412463 606863898 /nfs/dbraw/zinc/86/38/98/606863898.db2.gz LUPFWRQAGDFQIC-UHFFFAOYSA-N -1 3 353.430 3.189 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NCc1ccn(C2CCCC2)n1 ZINC000821412463 606863900 /nfs/dbraw/zinc/86/39/00/606863900.db2.gz LUPFWRQAGDFQIC-UHFFFAOYSA-N -1 3 353.430 3.189 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cncc(-c2ccccc2)c1 ZINC000822220058 606864946 /nfs/dbraw/zinc/86/49/46/606864946.db2.gz BGDKSNXQHGXGNT-UHFFFAOYSA-N -1 3 356.389 3.489 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cncc(-c2ccccc2)c1 ZINC000822220058 606864947 /nfs/dbraw/zinc/86/49/47/606864947.db2.gz BGDKSNXQHGXGNT-UHFFFAOYSA-N -1 3 356.389 3.489 20 0 FGADHM Cn1ccc(C(=O)Nc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)c1 ZINC000822685175 606872818 /nfs/dbraw/zinc/87/28/18/606872818.db2.gz UEGHWZVUIZIQAV-UHFFFAOYSA-N -1 3 360.377 3.250 20 0 FGADHM Cn1ccc(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)c1 ZINC000822685175 606872821 /nfs/dbraw/zinc/87/28/21/606872821.db2.gz UEGHWZVUIZIQAV-UHFFFAOYSA-N -1 3 360.377 3.250 20 0 FGADHM COC(=O)c1sccc1CSc1ccc(-c2nnn[n-]2)cc1F ZINC000821672227 606873189 /nfs/dbraw/zinc/87/31/89/606873189.db2.gz DBALMIOLOYIVFK-UHFFFAOYSA-N -1 3 350.400 3.146 20 0 FGADHM COC(=O)c1sccc1CSc1ccc(-c2nn[n-]n2)cc1F ZINC000821672227 606873190 /nfs/dbraw/zinc/87/31/90/606873190.db2.gz DBALMIOLOYIVFK-UHFFFAOYSA-N -1 3 350.400 3.146 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1cccc(OC(F)(F)F)c1 ZINC000823337991 606873854 /nfs/dbraw/zinc/87/38/54/606873854.db2.gz VMUKWAVIKZMESK-UHFFFAOYSA-N -1 3 367.262 3.157 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1cccc(OC(F)(F)F)c1 ZINC000823337991 606873856 /nfs/dbraw/zinc/87/38/56/606873856.db2.gz VMUKWAVIKZMESK-UHFFFAOYSA-N -1 3 367.262 3.157 20 0 FGADHM CO[C@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)c1ccccc1Cl ZINC000821677691 606880411 /nfs/dbraw/zinc/88/04/11/606880411.db2.gz CGAJHLLXBSBMQX-CYBMUJFWSA-N -1 3 365.224 3.368 20 0 FGADHM CO[C@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)c1ccccc1Cl ZINC000821677691 606880413 /nfs/dbraw/zinc/88/04/13/606880413.db2.gz CGAJHLLXBSBMQX-CYBMUJFWSA-N -1 3 365.224 3.368 20 0 FGADHM CCc1nnc(NC2CCC(C(F)(F)F)CC2)c(-c2nnn[n-]2)c1CC ZINC000821527841 606919056 /nfs/dbraw/zinc/91/90/56/606919056.db2.gz GZMOAOXHISPIGW-UHFFFAOYSA-N -1 3 369.395 3.315 20 0 FGADHM CCc1nnc(NC2CCC(C(F)(F)F)CC2)c(-c2nn[n-]n2)c1CC ZINC000821527841 606919058 /nfs/dbraw/zinc/91/90/58/606919058.db2.gz GZMOAOXHISPIGW-UHFFFAOYSA-N -1 3 369.395 3.315 20 0 FGADHM CCc1nnc(NCc2ccc([C@@H]3C[C@@H]3C)o2)c(-c2nnn[n-]2)c1CC ZINC000821542234 606922649 /nfs/dbraw/zinc/92/26/49/606922649.db2.gz LYZUIKJGHUNGFX-GXFFZTMASA-N -1 3 353.430 3.110 20 0 FGADHM CCc1nnc(NCc2ccc([C@@H]3C[C@@H]3C)o2)c(-c2nn[n-]n2)c1CC ZINC000821542234 606922651 /nfs/dbraw/zinc/92/26/51/606922651.db2.gz LYZUIKJGHUNGFX-GXFFZTMASA-N -1 3 353.430 3.110 20 0 FGADHM O[C@H](CNc1ccc(C(F)(F)F)cc1-c1nnn[n-]1)c1cccc(F)c1 ZINC000823689497 606924953 /nfs/dbraw/zinc/92/49/53/606924953.db2.gz GLMSQRBHGIYKLG-CQSZACIVSA-N -1 3 367.306 3.170 20 0 FGADHM O[C@H](CNc1ccc(C(F)(F)F)cc1-c1nn[n-]n1)c1cccc(F)c1 ZINC000823689497 606924954 /nfs/dbraw/zinc/92/49/54/606924954.db2.gz GLMSQRBHGIYKLG-CQSZACIVSA-N -1 3 367.306 3.170 20 0 FGADHM Fc1ccc(CNc2ccc(OC(F)F)c(F)c2)cc1-c1nnn[n-]1 ZINC000822753946 606928244 /nfs/dbraw/zinc/92/82/44/606928244.db2.gz SRTPQNAZIYRRGV-UHFFFAOYSA-N -1 3 353.279 3.358 20 0 FGADHM Fc1ccc(CNc2ccc(OC(F)F)c(F)c2)cc1-c1nn[n-]n1 ZINC000822753946 606928245 /nfs/dbraw/zinc/92/82/45/606928245.db2.gz SRTPQNAZIYRRGV-UHFFFAOYSA-N -1 3 353.279 3.358 20 0 FGADHM COC1CCC(N(C)c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)CC1 ZINC000821680060 606936053 /nfs/dbraw/zinc/93/60/53/606936053.db2.gz YEPOCFAMYCERGK-UHFFFAOYSA-N -1 3 355.364 3.279 20 0 FGADHM COC1CCC(N(C)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)CC1 ZINC000821680060 606936057 /nfs/dbraw/zinc/93/60/57/606936057.db2.gz YEPOCFAMYCERGK-UHFFFAOYSA-N -1 3 355.364 3.279 20 0 FGADHM CCc1nnc(SCc2ccccc2OC)c(-c2nnn[n-]2)c1CC ZINC000821548751 606937646 /nfs/dbraw/zinc/93/76/46/606937646.db2.gz WRGKMTMHDXXLNU-UHFFFAOYSA-N -1 3 356.455 3.082 20 0 FGADHM CCc1nnc(SCc2ccccc2OC)c(-c2nn[n-]n2)c1CC ZINC000821548751 606937647 /nfs/dbraw/zinc/93/76/47/606937647.db2.gz WRGKMTMHDXXLNU-UHFFFAOYSA-N -1 3 356.455 3.082 20 0 FGADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OC/C(Cl)=C/Cl ZINC000820031623 606946345 /nfs/dbraw/zinc/94/63/45/606946345.db2.gz GOXBXVQXONKEAF-SZNGSJQDSA-N -1 3 371.224 3.132 20 0 FGADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)OC/C(Cl)=C/Cl ZINC000820031623 606946347 /nfs/dbraw/zinc/94/63/47/606946347.db2.gz GOXBXVQXONKEAF-SZNGSJQDSA-N -1 3 371.224 3.132 20 0 FGADHM C[C@]1(CNc2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)CCCS1 ZINC000820623300 606946421 /nfs/dbraw/zinc/94/64/21/606946421.db2.gz LASFSBWBRWWQGN-MRXNPFEDSA-N -1 3 362.409 3.391 20 0 FGADHM C[C@]1(CNc2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)CCCS1 ZINC000820623300 606946422 /nfs/dbraw/zinc/94/64/22/606946422.db2.gz LASFSBWBRWWQGN-MRXNPFEDSA-N -1 3 362.409 3.391 20 0 FGADHM Cc1ccc2c(c1)[C@@H](NC(=O)Nc1ccc(-c3nnn[n-]3)c(Cl)c1)CO2 ZINC000822275408 606948282 /nfs/dbraw/zinc/94/82/82/606948282.db2.gz UJTGZBHCMPEEDK-AWEZNQCLSA-N -1 3 370.800 3.084 20 0 FGADHM Cc1ccc2c(c1)[C@@H](NC(=O)Nc1ccc(-c3nn[n-]n3)c(Cl)c1)CO2 ZINC000822275408 606948283 /nfs/dbraw/zinc/94/82/83/606948283.db2.gz UJTGZBHCMPEEDK-AWEZNQCLSA-N -1 3 370.800 3.084 20 0 FGADHM CC(C)[C@H]1c2ccccc2CCN1C(=O)c1sccc1-c1nnn[n-]1 ZINC000820051496 606951713 /nfs/dbraw/zinc/95/17/13/606951713.db2.gz PGUBFTKTSAYKLD-HNNXBMFYSA-N -1 3 353.451 3.324 20 0 FGADHM CC(C)[C@H]1c2ccccc2CCN1C(=O)c1sccc1-c1nn[n-]n1 ZINC000820051496 606951714 /nfs/dbraw/zinc/95/17/14/606951714.db2.gz PGUBFTKTSAYKLD-HNNXBMFYSA-N -1 3 353.451 3.324 20 0 FGADHM Cc1ccc(Br)c(C(=O)Nc2sccc2-c2nnn[n-]2)c1 ZINC000822224842 606957849 /nfs/dbraw/zinc/95/78/49/606957849.db2.gz CJBUFAAYWWLYDI-UHFFFAOYSA-N -1 3 364.228 3.251 20 0 FGADHM Cc1ccc(Br)c(C(=O)Nc2sccc2-c2nn[n-]n2)c1 ZINC000822224842 606957850 /nfs/dbraw/zinc/95/78/50/606957850.db2.gz CJBUFAAYWWLYDI-UHFFFAOYSA-N -1 3 364.228 3.251 20 0 FGADHM CC(C)CCSCC(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000820081299 606962224 /nfs/dbraw/zinc/96/22/24/606962224.db2.gz AVZFZDYABHKHIO-UHFFFAOYSA-N -1 3 353.879 3.262 20 0 FGADHM CC(C)CCSCC(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000820081299 606962226 /nfs/dbraw/zinc/96/22/26/606962226.db2.gz AVZFZDYABHKHIO-UHFFFAOYSA-N -1 3 353.879 3.262 20 0 FGADHM C[C@H]1CCC[C@@H](OCC(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)C1 ZINC000820696714 606962237 /nfs/dbraw/zinc/96/22/37/606962237.db2.gz BLHIXHOQVQNOMD-WCQYABFASA-N -1 3 363.849 3.078 20 0 FGADHM C[C@H]1CCC[C@@H](OCC(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)C1 ZINC000820696714 606962238 /nfs/dbraw/zinc/96/22/38/606962238.db2.gz BLHIXHOQVQNOMD-WCQYABFASA-N -1 3 363.849 3.078 20 0 FGADHM CN(C(=O)Cc1cc(F)ccc1F)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821570943 606963081 /nfs/dbraw/zinc/96/30/81/606963081.db2.gz RYRGFKROMOCWTL-UHFFFAOYSA-N -1 3 363.755 3.004 20 0 FGADHM CN(C(=O)Cc1cc(F)ccc1F)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821570943 606963084 /nfs/dbraw/zinc/96/30/84/606963084.db2.gz RYRGFKROMOCWTL-UHFFFAOYSA-N -1 3 363.755 3.004 20 0 FGADHM CC1(C)CO[C@H](c2ccccc2)CN1Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820606928 606967489 /nfs/dbraw/zinc/96/74/89/606967489.db2.gz FYNQYOXRABWKEO-SFHVURJKSA-N -1 3 367.428 3.358 20 0 FGADHM CC1(C)CO[C@H](c2ccccc2)CN1Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820606928 606967491 /nfs/dbraw/zinc/96/74/91/606967491.db2.gz FYNQYOXRABWKEO-SFHVURJKSA-N -1 3 367.428 3.358 20 0 FGADHM CN(Cc1nc(C(F)(F)F)cs1)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000821611168 606978844 /nfs/dbraw/zinc/97/88/44/606978844.db2.gz UIJLBSCWKXZDHN-UHFFFAOYSA-N -1 3 372.351 3.113 20 0 FGADHM CN(Cc1nc(C(F)(F)F)cs1)Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821611168 606978845 /nfs/dbraw/zinc/97/88/45/606978845.db2.gz UIJLBSCWKXZDHN-UHFFFAOYSA-N -1 3 372.351 3.113 20 0 FGADHM CCc1cccc(NC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821492735 606979176 /nfs/dbraw/zinc/97/91/76/606979176.db2.gz VKBZUGNBESBXMM-UHFFFAOYSA-N -1 3 351.410 3.225 20 0 FGADHM CCc1cccc(NC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821492735 606979178 /nfs/dbraw/zinc/97/91/78/606979178.db2.gz VKBZUGNBESBXMM-UHFFFAOYSA-N -1 3 351.410 3.225 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1OCc1nc(-c2ccc(F)c(C)c2)no1 ZINC000822154575 606983037 /nfs/dbraw/zinc/98/30/37/606983037.db2.gz YBQXJUNUHYFQOP-UHFFFAOYSA-N -1 3 366.356 3.252 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1OCc1nc(-c2ccc(F)c(C)c2)no1 ZINC000822154575 606983038 /nfs/dbraw/zinc/98/30/38/606983038.db2.gz YBQXJUNUHYFQOP-UHFFFAOYSA-N -1 3 366.356 3.252 20 0 FGADHM CSc1ccc(NC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821983786 606985854 /nfs/dbraw/zinc/98/58/54/606985854.db2.gz JHCORLVOQKRRFZ-UHFFFAOYSA-N -1 3 369.450 3.385 20 0 FGADHM CSc1ccc(NC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821983786 606985856 /nfs/dbraw/zinc/98/58/56/606985856.db2.gz JHCORLVOQKRRFZ-UHFFFAOYSA-N -1 3 369.450 3.385 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NC[C@@]1(C)CCCS1 ZINC000821104384 606986941 /nfs/dbraw/zinc/98/69/41/606986941.db2.gz AWAHHEMGULJOBZ-GOSISDBHSA-N -1 3 374.514 3.074 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@@]1(C)CCCS1 ZINC000821104384 606986942 /nfs/dbraw/zinc/98/69/42/606986942.db2.gz AWAHHEMGULJOBZ-GOSISDBHSA-N -1 3 374.514 3.074 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)C12CC3CC(CC(C3)C1)C2 ZINC000823421594 606990887 /nfs/dbraw/zinc/99/08/87/606990887.db2.gz DFDLAUKFEMMFJK-UHFFFAOYSA-N -1 3 356.401 3.265 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)C12CC3CC(CC(C3)C1)C2 ZINC000823421594 606990888 /nfs/dbraw/zinc/99/08/88/606990888.db2.gz DFDLAUKFEMMFJK-UHFFFAOYSA-N -1 3 356.401 3.265 20 0 FGADHM CC(C)c1ccc(OCC(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000820192331 606991427 /nfs/dbraw/zinc/99/14/27/606991427.db2.gz KADOQDYNIDQCDB-UHFFFAOYSA-N -1 3 370.384 3.251 20 0 FGADHM CC(C)c1ccc(OCC(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000820192331 606991428 /nfs/dbraw/zinc/99/14/28/606991428.db2.gz KADOQDYNIDQCDB-UHFFFAOYSA-N -1 3 370.384 3.251 20 0 FGADHM C[C@@H](CC(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1)c1cccc(F)c1 ZINC000820225077 606999605 /nfs/dbraw/zinc/99/96/05/606999605.db2.gz ACWOVMGINVDRAJ-NSHDSACASA-N -1 3 358.348 3.382 20 0 FGADHM C[C@@H](CC(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1)c1cccc(F)c1 ZINC000820225077 606999607 /nfs/dbraw/zinc/99/96/07/606999607.db2.gz ACWOVMGINVDRAJ-NSHDSACASA-N -1 3 358.348 3.382 20 0 FGADHM Clc1ccc(-n2cc(CSc3cccc(-c4nnn[n-]4)c3)nn2)cc1 ZINC000822574440 607012435 /nfs/dbraw/zinc/01/24/35/607012435.db2.gz UQADBJQGKIHUBY-UHFFFAOYSA-N -1 3 369.841 3.393 20 0 FGADHM Clc1ccc(-n2cc(CSc3cccc(-c4nn[n-]n4)c3)nn2)cc1 ZINC000822574440 607012436 /nfs/dbraw/zinc/01/24/36/607012436.db2.gz UQADBJQGKIHUBY-UHFFFAOYSA-N -1 3 369.841 3.393 20 0 FGADHM CC(=O)c1ccccc1NC(=O)[C@H](C)Sc1cccc(-c2nnn[n-]2)c1 ZINC000819845850 607014423 /nfs/dbraw/zinc/01/44/23/607014423.db2.gz XKSAECWDMMTPAJ-LBPRGKRZSA-N -1 3 367.434 3.189 20 0 FGADHM CC(=O)c1ccccc1NC(=O)[C@H](C)Sc1cccc(-c2nn[n-]n2)c1 ZINC000819845850 607014425 /nfs/dbraw/zinc/01/44/25/607014425.db2.gz XKSAECWDMMTPAJ-LBPRGKRZSA-N -1 3 367.434 3.189 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CC(O)(CCC)CCC ZINC000821118735 607042683 /nfs/dbraw/zinc/04/26/83/607042683.db2.gz QDWTVPQRFRBXIE-UHFFFAOYSA-N -1 3 374.489 3.349 20 0 FGADHM Cc1cccc(C)c1CCNC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822293640 607056238 /nfs/dbraw/zinc/05/62/38/607056238.db2.gz FNXGVGFOWICJLU-OAHLLOKOSA-N -1 3 364.453 3.086 20 0 FGADHM Cc1cccc(C)c1CCNC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822293640 607056239 /nfs/dbraw/zinc/05/62/39/607056239.db2.gz FNXGVGFOWICJLU-OAHLLOKOSA-N -1 3 364.453 3.086 20 0 FGADHM CC1(C)CO[C@H](c2ccccc2)CN1Cc1cc(F)ccc1-c1nn[n-]n1 ZINC000820607021 607062151 /nfs/dbraw/zinc/06/21/51/607062151.db2.gz IDKWUFBRQDGZJC-SFHVURJKSA-N -1 3 367.428 3.358 20 0 FGADHM CCOc1ccccc1CCC(=O)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000821431113 607073516 /nfs/dbraw/zinc/07/35/16/607073516.db2.gz MSOJKSCBEBHJLE-UHFFFAOYSA-N -1 3 370.384 3.081 20 0 FGADHM CCOc1ccccc1CCC(=O)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000821431113 607073518 /nfs/dbraw/zinc/07/35/18/607073518.db2.gz MSOJKSCBEBHJLE-UHFFFAOYSA-N -1 3 370.384 3.081 20 0 FGADHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)C1(c2cccc(Cl)c2)CC1 ZINC000823414315 607079770 /nfs/dbraw/zinc/07/97/70/607079770.db2.gz UCRMQNVAIZJHFA-UHFFFAOYSA-N -1 3 372.787 3.434 20 0 FGADHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)C1(c2cccc(Cl)c2)CC1 ZINC000823414315 607079772 /nfs/dbraw/zinc/07/97/72/607079772.db2.gz UCRMQNVAIZJHFA-UHFFFAOYSA-N -1 3 372.787 3.434 20 0 FGADHM COc1ccccc1C(C)=CC(=O)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000821883331 607082839 /nfs/dbraw/zinc/08/28/39/607082839.db2.gz TUGDPMQAQKNWCW-FMIVXFBMSA-N -1 3 368.368 3.161 20 0 FGADHM COc1ccccc1C(C)=CC(=O)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000821883331 607082841 /nfs/dbraw/zinc/08/28/41/607082841.db2.gz TUGDPMQAQKNWCW-FMIVXFBMSA-N -1 3 368.368 3.161 20 0 FGADHM Cc1cc(C)c(-c2nnn[n-]2)c(SCc2csc(N(C)C3CC3)n2)n1 ZINC000822193483 607097113 /nfs/dbraw/zinc/09/71/13/607097113.db2.gz ZCYFYNNRQPOXQD-UHFFFAOYSA-N -1 3 373.511 3.226 20 0 FGADHM Cc1cc(C)c(-c2nn[n-]n2)c(SCc2csc(N(C)C3CC3)n2)n1 ZINC000822193483 607097114 /nfs/dbraw/zinc/09/71/14/607097114.db2.gz ZCYFYNNRQPOXQD-UHFFFAOYSA-N -1 3 373.511 3.226 20 0 FGADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H](C)c1ccc(OC)cc1 ZINC000821294076 607100641 /nfs/dbraw/zinc/10/06/41/607100641.db2.gz RGEOFIDTGXFONS-GFCCVEGCSA-N -1 3 366.425 3.049 20 0 FGADHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)OCc1ccc(F)cc1F ZINC000820004793 607119213 /nfs/dbraw/zinc/11/92/13/607119213.db2.gz CFPGMEICZXDDCM-UHFFFAOYSA-N -1 3 374.347 3.046 20 0 FGADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OCc1ccc(F)cc1F ZINC000820004793 607119214 /nfs/dbraw/zinc/11/92/14/607119214.db2.gz CFPGMEICZXDDCM-UHFFFAOYSA-N -1 3 374.347 3.046 20 0 FGADHM CC(C)N(CC(F)F)C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820117243 607120867 /nfs/dbraw/zinc/12/08/67/607120867.db2.gz WWLMOKIOHFEFQZ-UHFFFAOYSA-N -1 3 360.821 3.192 20 0 FGADHM CC(C)N(CC(F)F)C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820117243 607120868 /nfs/dbraw/zinc/12/08/68/607120868.db2.gz WWLMOKIOHFEFQZ-UHFFFAOYSA-N -1 3 360.821 3.192 20 0 FGADHM O=C(Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1)[C@@H]1CC12CCC2 ZINC000823382619 607121165 /nfs/dbraw/zinc/12/11/65/607121165.db2.gz AZLYICXZNOTMPX-AWEZNQCLSA-N -1 3 366.450 3.043 20 0 FGADHM O=C(Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1)[C@@H]1CC12CCC2 ZINC000823382619 607121167 /nfs/dbraw/zinc/12/11/67/607121167.db2.gz AZLYICXZNOTMPX-AWEZNQCLSA-N -1 3 366.450 3.043 20 0 FGADHM O=C(Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1)[C@@H]1CC12CCC2 ZINC000823350140 607121564 /nfs/dbraw/zinc/12/15/64/607121564.db2.gz AMDVOPKRNDRBAM-HNNXBMFYSA-N -1 3 362.393 3.183 20 0 FGADHM O=C(Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1)NC1CC=CC1 ZINC000823350451 607137293 /nfs/dbraw/zinc/13/72/93/607137293.db2.gz NMJMHQWBBLYXFV-UHFFFAOYSA-N -1 3 362.393 3.499 20 0 FGADHM O=C(Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)NC1CC=CC1 ZINC000823350451 607137295 /nfs/dbraw/zinc/13/72/95/607137295.db2.gz NMJMHQWBBLYXFV-UHFFFAOYSA-N -1 3 362.393 3.499 20 0 FGADHM Fc1cc(-c2nnn[n-]2)ccc1OCc1cc(Cl)c2c(c1)OCCO2 ZINC000822748316 607140250 /nfs/dbraw/zinc/14/02/50/607140250.db2.gz SZNBPWSNSYULTG-UHFFFAOYSA-N -1 3 362.748 3.009 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1OCc1cc(Cl)c2c(c1)OCCO2 ZINC000822748316 607140252 /nfs/dbraw/zinc/14/02/52/607140252.db2.gz SZNBPWSNSYULTG-UHFFFAOYSA-N -1 3 362.748 3.009 20 0 FGADHM Fc1ccc(F)c2c1CCCN2C(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000822774489 607151413 /nfs/dbraw/zinc/15/14/13/607151413.db2.gz KGFIQHJVXXSHAS-UHFFFAOYSA-N -1 3 372.404 3.295 20 0 FGADHM Fc1ccc(F)c2c1CCCN2C(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000822774489 607151414 /nfs/dbraw/zinc/15/14/14/607151414.db2.gz KGFIQHJVXXSHAS-UHFFFAOYSA-N -1 3 372.404 3.295 20 0 FGADHM Cc1cc(C(=O)CSc2ccc(-c3nnn[n-]3)cn2)c(Cl)cc1F ZINC000822167756 607157325 /nfs/dbraw/zinc/15/73/25/607157325.db2.gz HWLNJYJSNDBTAA-UHFFFAOYSA-N -1 3 363.805 3.338 20 0 FGADHM Cc1cc(C(=O)CSc2ccc(-c3nn[n-]n3)cn2)c(Cl)cc1F ZINC000822167756 607157326 /nfs/dbraw/zinc/15/73/26/607157326.db2.gz HWLNJYJSNDBTAA-UHFFFAOYSA-N -1 3 363.805 3.338 20 0 FGADHM Cc1ccccc1[C@H](C)OC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000822345128 607158351 /nfs/dbraw/zinc/15/83/51/607158351.db2.gz FMAYKHWDBCVQCO-UONOGXRCSA-N -1 3 352.394 3.247 20 0 FGADHM Cc1ccccc1[C@H](C)OC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000822345128 607158352 /nfs/dbraw/zinc/15/83/52/607158352.db2.gz FMAYKHWDBCVQCO-UONOGXRCSA-N -1 3 352.394 3.247 20 0 FGADHM Cc1ccccc1[C@@H](C)OC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000822345579 607158422 /nfs/dbraw/zinc/15/84/22/607158422.db2.gz LDKITEFANXZQDQ-KGLIPLIRSA-N -1 3 352.394 3.247 20 0 FGADHM O=C(Nc1ccn(-c2ccccc2Cl)n1)c1sccc1-c1nnn[n-]1 ZINC000823372884 607166958 /nfs/dbraw/zinc/16/69/58/607166958.db2.gz MNKOYXQTFWZMIM-UHFFFAOYSA-N -1 3 371.813 3.020 20 0 FGADHM O=C(Nc1ccn(-c2ccccc2Cl)n1)c1sccc1-c1nn[n-]n1 ZINC000823372884 607166959 /nfs/dbraw/zinc/16/69/59/607166959.db2.gz MNKOYXQTFWZMIM-UHFFFAOYSA-N -1 3 371.813 3.020 20 0 FGADHM O=C(CCSc1ccccc1-c1nnn[n-]1)Nc1cc(F)cc(F)c1 ZINC000822974674 607170294 /nfs/dbraw/zinc/17/02/94/607170294.db2.gz YIMHLPDASOAOIC-UHFFFAOYSA-N -1 3 361.377 3.266 20 0 FGADHM O=C(CCSc1ccccc1-c1nn[n-]n1)Nc1cc(F)cc(F)c1 ZINC000822974674 607170295 /nfs/dbraw/zinc/17/02/95/607170295.db2.gz YIMHLPDASOAOIC-UHFFFAOYSA-N -1 3 361.377 3.266 20 0 FGADHM Cc1cccc(-c2cncc(C(=O)Oc3ccc(-c4nn[n-]n4)cc3)c2)c1 ZINC000822284181 607184911 /nfs/dbraw/zinc/18/49/11/607184911.db2.gz LHNUKBLVKMGLNB-UHFFFAOYSA-N -1 3 357.373 3.456 20 0 FGADHM CCOc1ccc(CC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000821416556 607189783 /nfs/dbraw/zinc/18/97/83/607189783.db2.gz ABIOZWWKQOHKIO-UHFFFAOYSA-N -1 3 357.801 3.100 20 0 FGADHM CCOc1ccc(CC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000821416556 607189784 /nfs/dbraw/zinc/18/97/84/607189784.db2.gz ABIOZWWKQOHKIO-UHFFFAOYSA-N -1 3 357.801 3.100 20 0 FGADHM O=C(C[C@H]1CCOc2ccccc21)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000822946107 607189951 /nfs/dbraw/zinc/18/99/51/607189951.db2.gz VDSJGNBWGYKGRE-LLVKDONJSA-N -1 3 369.812 3.415 20 0 FGADHM O=C(C[C@H]1CCOc2ccccc21)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822946107 607189952 /nfs/dbraw/zinc/18/99/52/607189952.db2.gz VDSJGNBWGYKGRE-LLVKDONJSA-N -1 3 369.812 3.415 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H]1CCOC2(CCCCC2)C1 ZINC000822217892 607194326 /nfs/dbraw/zinc/19/43/26/607194326.db2.gz QTNWDOVDVYFGKJ-HNNXBMFYSA-N -1 3 370.457 3.179 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H]1CCOC2(CCCCC2)C1 ZINC000822217892 607194327 /nfs/dbraw/zinc/19/43/27/607194327.db2.gz QTNWDOVDVYFGKJ-HNNXBMFYSA-N -1 3 370.457 3.179 20 0 FGADHM CN(CCc1ccc(F)cc1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821604732 607203351 /nfs/dbraw/zinc/20/33/51/607203351.db2.gz CVXJXBGJQZFVEG-UHFFFAOYSA-N -1 3 374.807 3.366 20 0 FGADHM CN(CCc1ccc(F)cc1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821604732 607203352 /nfs/dbraw/zinc/20/33/52/607203352.db2.gz CVXJXBGJQZFVEG-UHFFFAOYSA-N -1 3 374.807 3.366 20 0 FGADHM Cc1noc(C)c1[C@H](C)NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000822519153 607203656 /nfs/dbraw/zinc/20/36/56/607203656.db2.gz AGIJKPWHIYGGNF-ZETCQYMHSA-N -1 3 361.793 3.008 20 0 FGADHM Cc1noc(C)c1[C@H](C)NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822519153 607203657 /nfs/dbraw/zinc/20/36/57/607203657.db2.gz AGIJKPWHIYGGNF-ZETCQYMHSA-N -1 3 361.793 3.008 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N1CCCC[C@H]1c1ncc[nH]1 ZINC000823315007 607204949 /nfs/dbraw/zinc/20/49/49/607204949.db2.gz WHMMVFWWHNIZQY-ZDUSSCGKSA-N -1 3 372.820 3.002 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N1CCCC[C@H]1c1ncc[nH]1 ZINC000823315007 607204950 /nfs/dbraw/zinc/20/49/50/607204950.db2.gz WHMMVFWWHNIZQY-ZDUSSCGKSA-N -1 3 372.820 3.002 20 0 FGADHM CCC[C@H](C)[C@H]1CCCN1C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000821015662 607206484 /nfs/dbraw/zinc/20/64/84/607206484.db2.gz RXRLRMYPGITPKO-BLLLJJGKSA-N -1 3 360.437 3.116 20 0 FGADHM CCC[C@H](C)[C@H]1CCCN1C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000821015662 607206485 /nfs/dbraw/zinc/20/64/85/607206485.db2.gz RXRLRMYPGITPKO-BLLLJJGKSA-N -1 3 360.437 3.116 20 0 FGADHM CC(=O)c1cccc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)c1 ZINC000819844396 607234868 /nfs/dbraw/zinc/23/48/68/607234868.db2.gz GLYGCSJQGFKYOZ-UHFFFAOYSA-N -1 3 367.434 3.262 20 0 FGADHM CC(=O)c1cccc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)c1 ZINC000819844396 607234869 /nfs/dbraw/zinc/23/48/69/607234869.db2.gz GLYGCSJQGFKYOZ-UHFFFAOYSA-N -1 3 367.434 3.262 20 0 FGADHM CC(C)n1nccc1C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000820214736 607235626 /nfs/dbraw/zinc/23/56/26/607235626.db2.gz NLOSDMAVTANXSB-UHFFFAOYSA-N -1 3 371.470 3.227 20 0 FGADHM CC(C)n1nccc1C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000820214736 607235627 /nfs/dbraw/zinc/23/56/27/607235627.db2.gz NLOSDMAVTANXSB-UHFFFAOYSA-N -1 3 371.470 3.227 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1ccn(C2CCCC2)n1 ZINC000823318385 607242823 /nfs/dbraw/zinc/24/28/23/607242823.db2.gz DVQWBFMMYHYDEU-UHFFFAOYSA-N -1 3 357.805 3.084 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1ccn(C2CCCC2)n1 ZINC000823318385 607242824 /nfs/dbraw/zinc/24/28/24/607242824.db2.gz DVQWBFMMYHYDEU-UHFFFAOYSA-N -1 3 357.805 3.084 20 0 FGADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)c1cc(-c2cccc(F)c2)no1 ZINC000823451686 607245839 /nfs/dbraw/zinc/24/58/39/607245839.db2.gz YBOBPKVOHNNCMW-UHFFFAOYSA-N -1 3 369.287 3.019 20 0 FGADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)c1cc(-c2cccc(F)c2)no1 ZINC000823451686 607245840 /nfs/dbraw/zinc/24/58/40/607245840.db2.gz YBOBPKVOHNNCMW-UHFFFAOYSA-N -1 3 369.287 3.019 20 0 FGADHM CC(C)COc1ccc(CC(=O)Oc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000820102801 607248544 /nfs/dbraw/zinc/24/85/44/607248544.db2.gz LDLZUTQFIXQVEW-UHFFFAOYSA-N -1 3 370.384 3.189 20 0 FGADHM CC(C)COc1ccc(CC(=O)Oc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000820102801 607248545 /nfs/dbraw/zinc/24/85/45/607248545.db2.gz LDLZUTQFIXQVEW-UHFFFAOYSA-N -1 3 370.384 3.189 20 0 FGADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)c1cccc(-c2cscn2)c1 ZINC000823450433 607249225 /nfs/dbraw/zinc/24/92/25/607249225.db2.gz QRGDENQFQBFVKA-UHFFFAOYSA-N -1 3 367.365 3.349 20 0 FGADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)c1cccc(-c2cscn2)c1 ZINC000823450433 607249226 /nfs/dbraw/zinc/24/92/26/607249226.db2.gz QRGDENQFQBFVKA-UHFFFAOYSA-N -1 3 367.365 3.349 20 0 FGADHM C[C@H](CSc1ccccc1)C(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000820293180 607249270 /nfs/dbraw/zinc/24/92/70/607249270.db2.gz IIMNIKDBVMTVRK-LLVKDONJSA-N -1 3 358.398 3.340 20 0 FGADHM C[C@H](CSc1ccccc1)C(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000820293180 607249271 /nfs/dbraw/zinc/24/92/71/607249271.db2.gz IIMNIKDBVMTVRK-LLVKDONJSA-N -1 3 358.398 3.340 20 0 FGADHM Cc1cc(C)c2cc(C(=O)Oc3ccc(-c4nnn[n-]4)cc3F)sc2n1 ZINC000822195261 607249642 /nfs/dbraw/zinc/24/96/42/607249642.db2.gz MEAMFFXGWCJWDY-UHFFFAOYSA-N -1 3 369.381 3.452 20 0 FGADHM Cc1cc(C)c2cc(C(=O)Oc3ccc(-c4nn[n-]n4)cc3F)sc2n1 ZINC000822195261 607249643 /nfs/dbraw/zinc/24/96/43/607249643.db2.gz MEAMFFXGWCJWDY-UHFFFAOYSA-N -1 3 369.381 3.452 20 0 FGADHM CCOc1cccc(NC(=S)Nc2cccc(-c3nnn[n-]3)c2C)c1 ZINC000821430978 607252000 /nfs/dbraw/zinc/25/20/00/607252000.db2.gz JGYARSWLIQORGW-UHFFFAOYSA-N -1 3 354.439 3.383 20 0 FGADHM CCOc1cccc(NC(=S)Nc2cccc(-c3nn[n-]n3)c2C)c1 ZINC000821430978 607252001 /nfs/dbraw/zinc/25/20/01/607252001.db2.gz JGYARSWLIQORGW-UHFFFAOYSA-N -1 3 354.439 3.383 20 0 FGADHM CC1(C)CCc2ccccc2[C@H]1NC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000824807721 607774393 /nfs/dbraw/zinc/77/43/93/607774393.db2.gz MHKPCCJVTPVAJA-LJQANCHMSA-N -1 3 361.449 3.239 20 0 FGADHM CC1(C)CCc2ccccc2[C@H]1NC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000824807721 607774394 /nfs/dbraw/zinc/77/43/94/607774394.db2.gz MHKPCCJVTPVAJA-LJQANCHMSA-N -1 3 361.449 3.239 20 0 FGADHM CCc1ccc(N[C@@H](C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1F ZINC000825717831 607784827 /nfs/dbraw/zinc/78/48/27/607784827.db2.gz RAAYRSMIRHULMO-NSHDSACASA-N -1 3 354.389 3.007 20 0 FGADHM CCc1ccc(N[C@@H](C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1F ZINC000825717831 607784828 /nfs/dbraw/zinc/78/48/28/607784828.db2.gz RAAYRSMIRHULMO-NSHDSACASA-N -1 3 354.389 3.007 20 0 FGADHM CC[C@H](CC(=O)N(C)c1ccc(-c2nnn[n-]2)cc1)c1ccc(OC)cc1 ZINC000825082368 607785352 /nfs/dbraw/zinc/78/53/52/607785352.db2.gz SJHJONRFJFWQCR-CQSZACIVSA-N -1 3 365.437 3.422 20 0 FGADHM CC[C@H](CC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1)c1ccc(OC)cc1 ZINC000825082368 607785353 /nfs/dbraw/zinc/78/53/53/607785353.db2.gz SJHJONRFJFWQCR-CQSZACIVSA-N -1 3 365.437 3.422 20 0 FGADHM COc1ccc(SCCC(=O)N(C)c2ccccc2-c2nnn[n-]2)cc1 ZINC000826211505 607791234 /nfs/dbraw/zinc/79/12/34/607791234.db2.gz HTERAIMSJJECNY-UHFFFAOYSA-N -1 3 369.450 3.021 20 0 FGADHM COc1ccc(SCCC(=O)N(C)c2ccccc2-c2nn[n-]n2)cc1 ZINC000826211505 607791235 /nfs/dbraw/zinc/79/12/35/607791235.db2.gz HTERAIMSJJECNY-UHFFFAOYSA-N -1 3 369.450 3.021 20 0 FGADHM CCOc1ccccc1C(F)(F)C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825654266 607796020 /nfs/dbraw/zinc/79/60/20/607796020.db2.gz URGHJTYAYLAFHP-UHFFFAOYSA-N -1 3 373.363 3.020 20 0 FGADHM CCOc1ccccc1C(F)(F)C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825654266 607796021 /nfs/dbraw/zinc/79/60/21/607796021.db2.gz URGHJTYAYLAFHP-UHFFFAOYSA-N -1 3 373.363 3.020 20 0 FGADHM CCN(C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825366968 607799755 /nfs/dbraw/zinc/79/97/55/607799755.db2.gz HRSGYADCYJCLHJ-DLBZAZTESA-N -1 3 351.385 3.162 20 0 FGADHM CCN(C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825366968 607799756 /nfs/dbraw/zinc/79/97/56/607799756.db2.gz HRSGYADCYJCLHJ-DLBZAZTESA-N -1 3 351.385 3.162 20 0 FGADHM C[C@H]1CCCC[C@H]1NC(=O)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000824937811 607833218 /nfs/dbraw/zinc/83/32/18/607833218.db2.gz RSTRUXBWVOAAJH-QPUJVOFHSA-N -1 3 354.241 3.482 20 0 FGADHM C[C@H]1CCCC[C@H]1NC(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000824937811 607833219 /nfs/dbraw/zinc/83/32/19/607833219.db2.gz RSTRUXBWVOAAJH-QPUJVOFHSA-N -1 3 354.241 3.482 20 0 FGADHM OCCC[C@@H](Nc1ccc2cc(-c3nnn[n-]3)ccc2n1)c1ccccc1 ZINC000826508752 607842480 /nfs/dbraw/zinc/84/24/80/607842480.db2.gz APNWDAAJNBBLQZ-QGZVFWFLSA-N -1 3 360.421 3.341 20 0 FGADHM OCCC[C@@H](Nc1ccc2cc(-c3nn[n-]n3)ccc2n1)c1ccccc1 ZINC000826508752 607842481 /nfs/dbraw/zinc/84/24/81/607842481.db2.gz APNWDAAJNBBLQZ-QGZVFWFLSA-N -1 3 360.421 3.341 20 0 FGADHM O[C@H](COc1ccccc1)CSc1ccc(-c2nnn[n-]2)cc1Cl ZINC000826505354 607843451 /nfs/dbraw/zinc/84/34/51/607843451.db2.gz TXMRSHHIKPNJED-GFCCVEGCSA-N -1 3 362.842 3.052 20 0 FGADHM O[C@H](COc1ccccc1)CSc1ccc(-c2nn[n-]n2)cc1Cl ZINC000826505354 607843452 /nfs/dbraw/zinc/84/34/52/607843452.db2.gz TXMRSHHIKPNJED-GFCCVEGCSA-N -1 3 362.842 3.052 20 0 FGADHM O[C@@H](COc1ccc(Cl)c2cccnc12)c1ccc(-c2nnn[n-]2)cc1 ZINC000826504955 607871319 /nfs/dbraw/zinc/87/13/19/607871319.db2.gz IXTJPSWQAVIRNH-HNNXBMFYSA-N -1 3 367.796 3.181 20 0 FGADHM O[C@@H](COc1ccc(Cl)c2cccnc12)c1ccc(-c2nn[n-]n2)cc1 ZINC000826504955 607871320 /nfs/dbraw/zinc/87/13/20/607871320.db2.gz IXTJPSWQAVIRNH-HNNXBMFYSA-N -1 3 367.796 3.181 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1OC[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000826254892 607875699 /nfs/dbraw/zinc/87/56/99/607875699.db2.gz DWXQJRDHEYSYDG-AWEZNQCLSA-N -1 3 364.327 3.306 20 0 FGADHM CCN(C(=O)c1ccc(C(C)=O)cc1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825381054 607879091 /nfs/dbraw/zinc/87/90/91/607879091.db2.gz YYTBQGKNJPPDRA-UHFFFAOYSA-N -1 3 369.812 3.389 20 0 FGADHM CCN(C(=O)c1ccc(C(C)=O)cc1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825381054 607879092 /nfs/dbraw/zinc/87/90/92/607879092.db2.gz YYTBQGKNJPPDRA-UHFFFAOYSA-N -1 3 369.812 3.389 20 0 FGADHM FC(F)Oc1c(Br)cccc1Cn1ccc(-c2nnn[n-]2)c1 ZINC000826369918 607892639 /nfs/dbraw/zinc/89/26/39/607892639.db2.gz VOZCZYFLDYOOPS-UHFFFAOYSA-N -1 3 370.157 3.080 20 0 FGADHM FC(F)Oc1c(Br)cccc1Cn1ccc(-c2nn[n-]n2)c1 ZINC000826369918 607892640 /nfs/dbraw/zinc/89/26/40/607892640.db2.gz VOZCZYFLDYOOPS-UHFFFAOYSA-N -1 3 370.157 3.080 20 0 FGADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000826440676 607905609 /nfs/dbraw/zinc/90/56/09/607905609.db2.gz WOEDRTQFIRDLLF-UMVBOHGHSA-N -1 3 357.433 3.229 20 0 FGADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000826440676 607905610 /nfs/dbraw/zinc/90/56/10/607905610.db2.gz WOEDRTQFIRDLLF-UMVBOHGHSA-N -1 3 357.433 3.229 20 0 FGADHM Fc1cc(-c2nnn[n-]2)cc(F)c1N1CCc2c3ccccc3[nH]c2C1 ZINC000826371863 607969049 /nfs/dbraw/zinc/96/90/49/607969049.db2.gz XCDLQAORGIOOTH-UHFFFAOYSA-N -1 3 352.348 3.189 20 0 FGADHM Fc1cc(-c2nn[n-]n2)cc(F)c1N1CCc2c3ccccc3[nH]c2C1 ZINC000826371863 607969050 /nfs/dbraw/zinc/96/90/50/607969050.db2.gz XCDLQAORGIOOTH-UHFFFAOYSA-N -1 3 352.348 3.189 20 0 FGADHM C[C@@H](NC(=O)c1cc(C2CCCCC2)n[nH]1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824516963 607970469 /nfs/dbraw/zinc/97/04/69/607970469.db2.gz ZCDPZCUCKLUPSO-GFCCVEGCSA-N -1 3 365.441 3.129 20 0 FGADHM C[C@@H](NC(=O)c1cc(C2CCCCC2)n[nH]1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824516963 607970470 /nfs/dbraw/zinc/97/04/70/607970470.db2.gz ZCDPZCUCKLUPSO-GFCCVEGCSA-N -1 3 365.441 3.129 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)c1cnc2ccc(F)cc2c1 ZINC000826465213 607978216 /nfs/dbraw/zinc/97/82/16/607978216.db2.gz CZBNOUGGHLIMJV-UHFFFAOYSA-N -1 3 367.315 3.050 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)c1cnc2ccc(F)cc2c1 ZINC000826465213 607978217 /nfs/dbraw/zinc/97/82/17/607978217.db2.gz CZBNOUGGHLIMJV-UHFFFAOYSA-N -1 3 367.315 3.050 20 0 FGADHM CCN(C(=O)CC1CCC(OC)CC1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367279 607978301 /nfs/dbraw/zinc/97/83/01/607978301.db2.gz MMKNLCBQTVUVMU-KSTDHSDQSA-N -1 3 371.485 3.372 20 0 FGADHM CCN(C(=O)CC1CCC(OC)CC1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367279 607978302 /nfs/dbraw/zinc/97/83/02/607978302.db2.gz MMKNLCBQTVUVMU-KSTDHSDQSA-N -1 3 371.485 3.372 20 0 FGADHM Cc1cc(C(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)ncn1 ZINC000826260619 607981951 /nfs/dbraw/zinc/98/19/51/607981951.db2.gz XJQAYPJWVFLTEY-UHFFFAOYSA-N -1 3 373.376 3.010 20 0 FGADHM COc1ccc(CS[C@H](C)C(=O)Nc2ccccc2)cc1-c1nnn[n-]1 ZINC000826207643 607984492 /nfs/dbraw/zinc/98/44/92/607984492.db2.gz WPEWREFAKFVEIB-GFCCVEGCSA-N -1 3 369.450 3.136 20 0 FGADHM COc1ccc(CS[C@H](C)C(=O)Nc2ccccc2)cc1-c1nn[n-]n1 ZINC000826207643 607984493 /nfs/dbraw/zinc/98/44/93/607984493.db2.gz WPEWREFAKFVEIB-GFCCVEGCSA-N -1 3 369.450 3.136 20 0 FGADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)C=Cc2ccc(Cl)nc2)s1 ZINC000825694151 608003868 /nfs/dbraw/zinc/00/38/68/608003868.db2.gz LUQSYWUGWVFMGH-XQRVVYSFSA-N -1 3 360.830 3.191 20 0 FGADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)C=Cc2ccc(Cl)nc2)s1 ZINC000825694151 608003869 /nfs/dbraw/zinc/00/38/69/608003869.db2.gz LUQSYWUGWVFMGH-XQRVVYSFSA-N -1 3 360.830 3.191 20 0 FGADHM CCN(C(=O)[C@H](C)Cc1ccc(OC)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825361569 608005717 /nfs/dbraw/zinc/00/57/17/608005717.db2.gz FKHHBVPPDLUKQQ-CQSZACIVSA-N -1 3 365.437 3.107 20 0 FGADHM CCN(C(=O)[C@H](C)Cc1ccc(OC)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825361569 608005718 /nfs/dbraw/zinc/00/57/18/608005718.db2.gz FKHHBVPPDLUKQQ-CQSZACIVSA-N -1 3 365.437 3.107 20 0 FGADHM C[C@H](OC(=O)c1ccnc(OC2CCC2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824724185 608015047 /nfs/dbraw/zinc/01/50/47/608015047.db2.gz ZEEBOLHJEJKCTN-LBPRGKRZSA-N -1 3 365.393 3.111 20 0 FGADHM C[C@H](OC(=O)c1ccnc(OC2CCC2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824724185 608015048 /nfs/dbraw/zinc/01/50/48/608015048.db2.gz ZEEBOLHJEJKCTN-LBPRGKRZSA-N -1 3 365.393 3.111 20 0 FGADHM O=C1[C@H](Sc2ccc(-c3nnn[n-]3)cc2)CCCN1Cc1ccccc1 ZINC000826477434 608023362 /nfs/dbraw/zinc/02/33/62/608023362.db2.gz DAPASIACSCBHNY-QGZVFWFLSA-N -1 3 365.462 3.150 20 0 FGADHM O=C1[C@H](Sc2ccc(-c3nn[n-]n3)cc2)CCCN1Cc1ccccc1 ZINC000826477434 608023363 /nfs/dbraw/zinc/02/33/63/608023363.db2.gz DAPASIACSCBHNY-QGZVFWFLSA-N -1 3 365.462 3.150 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1scnc1C1CC1 ZINC000825318257 608023455 /nfs/dbraw/zinc/02/34/55/608023455.db2.gz KOSMJVUQHUGLJI-UHFFFAOYSA-N -1 3 368.466 3.253 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1scnc1C1CC1 ZINC000825318257 608023456 /nfs/dbraw/zinc/02/34/56/608023456.db2.gz KOSMJVUQHUGLJI-UHFFFAOYSA-N -1 3 368.466 3.253 20 0 FGADHM C[C@H](c1cc(F)ccc1F)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824763018 608067245 /nfs/dbraw/zinc/06/72/45/608067245.db2.gz JKTJADRGHQLBPF-XIKOKIGWSA-N -1 3 371.391 3.279 20 0 FGADHM C[C@H](c1cc(F)ccc1F)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824763018 608067246 /nfs/dbraw/zinc/06/72/46/608067246.db2.gz JKTJADRGHQLBPF-XIKOKIGWSA-N -1 3 371.391 3.279 20 0 FGADHM C[C@H](c1ccccc1F)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824772973 608068571 /nfs/dbraw/zinc/06/85/71/608068571.db2.gz XKDJBLPFYGSZSF-ACJLOTCBSA-N -1 3 353.401 3.140 20 0 FGADHM C[C@H](c1ccccc1F)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824772973 608068572 /nfs/dbraw/zinc/06/85/72/608068572.db2.gz XKDJBLPFYGSZSF-ACJLOTCBSA-N -1 3 353.401 3.140 20 0 FGADHM Cc1ccc(Br)c(NC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000826281465 608072680 /nfs/dbraw/zinc/07/26/80/608072680.db2.gz TWMFLOAUSVCKOM-UHFFFAOYSA-N -1 3 358.199 3.190 20 0 FGADHM Cc1ccc(Br)c(NC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000826281465 608072681 /nfs/dbraw/zinc/07/26/81/608072681.db2.gz TWMFLOAUSVCKOM-UHFFFAOYSA-N -1 3 358.199 3.190 20 0 FGADHM O=C(C1CCCCCCC1)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826399459 608081215 /nfs/dbraw/zinc/08/12/15/608081215.db2.gz WEUZGQTYNWZVNG-GOSISDBHSA-N -1 3 369.469 3.127 20 0 FGADHM O=C(C1CCCCCCC1)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826399459 608081216 /nfs/dbraw/zinc/08/12/16/608081216.db2.gz WEUZGQTYNWZVNG-GOSISDBHSA-N -1 3 369.469 3.127 20 0 FGADHM Cn1c2ccccc2nc1NCCSCc1ccccc1-c1nnn[n-]1 ZINC000826355636 608097512 /nfs/dbraw/zinc/09/75/12/608097512.db2.gz IDILVNOLNHUKMP-UHFFFAOYSA-N -1 3 365.466 3.099 20 0 FGADHM Cn1c2ccccc2nc1NCCSCc1ccccc1-c1nn[n-]n1 ZINC000826355636 608097513 /nfs/dbraw/zinc/09/75/13/608097513.db2.gz IDILVNOLNHUKMP-UHFFFAOYSA-N -1 3 365.466 3.099 20 0 FGADHM CCC[C@H](C(=O)NC1CCN(c2ccccc2-c2nnn[n-]2)CC1)C(C)C ZINC000825225255 608120602 /nfs/dbraw/zinc/12/06/02/608120602.db2.gz PWKZKRBBINYRBV-INIZCTEOSA-N -1 3 370.501 3.024 20 0 FGADHM CCC[C@H](C(=O)NC1CCN(c2ccccc2-c2nn[n-]n2)CC1)C(C)C ZINC000825225255 608120603 /nfs/dbraw/zinc/12/06/03/608120603.db2.gz PWKZKRBBINYRBV-INIZCTEOSA-N -1 3 370.501 3.024 20 0 FGADHM O=C(NCC1(c2ccccc2Cl)CC1)c1cc(-c2nnn[n-]2)cs1 ZINC000826434060 608121059 /nfs/dbraw/zinc/12/10/59/608121059.db2.gz ARIUYCJBOQZNRA-UHFFFAOYSA-N -1 3 359.842 3.043 20 0 FGADHM O=C(NCC1(c2ccccc2Cl)CC1)c1cc(-c2nn[n-]n2)cs1 ZINC000826434060 608121060 /nfs/dbraw/zinc/12/10/60/608121060.db2.gz ARIUYCJBOQZNRA-UHFFFAOYSA-N -1 3 359.842 3.043 20 0 FGADHM COc1ccccc1OC[C@H](C)CNc1ccc(-c2nn[n-]n2)cc1F ZINC000826220457 608124392 /nfs/dbraw/zinc/12/43/92/608124392.db2.gz OMXUQLULUXUSTB-GFCCVEGCSA-N -1 3 357.389 3.141 20 0 FGADHM C[C@@H](NCc1cc(Cl)cc2c1OCC2)c1ccc(-c2nnn[n-]2)cc1F ZINC000824612992 608132171 /nfs/dbraw/zinc/13/21/71/608132171.db2.gz QRJXMIPZZZBPQH-SNVBAGLBSA-N -1 3 373.819 3.445 20 0 FGADHM C[C@@H](NCc1cc(Cl)cc2c1OCC2)c1ccc(-c2nn[n-]n2)cc1F ZINC000824612992 608132172 /nfs/dbraw/zinc/13/21/72/608132172.db2.gz QRJXMIPZZZBPQH-SNVBAGLBSA-N -1 3 373.819 3.445 20 0 FGADHM COCCOc1ccc(-c2nnn[n-]2)cc1NC/C=C/c1ccc(F)cc1 ZINC000826162018 608136452 /nfs/dbraw/zinc/13/64/52/608136452.db2.gz JTFMFEIGKNHWPT-NSCUHMNNSA-N -1 3 369.400 3.156 20 0 FGADHM COCCOc1ccc(-c2nn[n-]n2)cc1NC/C=C/c1ccc(F)cc1 ZINC000826162018 608136453 /nfs/dbraw/zinc/13/64/53/608136453.db2.gz JTFMFEIGKNHWPT-NSCUHMNNSA-N -1 3 369.400 3.156 20 0 FGADHM Cc1nc(C)c(-c2nnn[n-]2)c(SCc2nc(Cl)ccc2Cl)n1 ZINC000826324256 608144166 /nfs/dbraw/zinc/14/41/66/608144166.db2.gz KANGLRFTQWHXRM-UHFFFAOYSA-N -1 3 368.253 3.268 20 0 FGADHM Cc1nnc(NCC2(c3ccccc3Cl)CC2)c(-c2nnn[n-]2)c1C ZINC000826336053 608148938 /nfs/dbraw/zinc/14/89/38/608148938.db2.gz LKWMXGIXWAODIQ-UHFFFAOYSA-N -1 3 355.833 3.071 20 0 FGADHM Cc1nnc(NCC2(c3ccccc3Cl)CC2)c(-c2nn[n-]n2)c1C ZINC000826336053 608148940 /nfs/dbraw/zinc/14/89/40/608148940.db2.gz LKWMXGIXWAODIQ-UHFFFAOYSA-N -1 3 355.833 3.071 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ncccc1C(F)(F)F ZINC000826452402 608149910 /nfs/dbraw/zinc/14/99/10/608149910.db2.gz RYAUNMSWUGFBAN-UHFFFAOYSA-N -1 3 368.706 3.186 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ncccc1C(F)(F)F ZINC000826452402 608149912 /nfs/dbraw/zinc/14/99/12/608149912.db2.gz RYAUNMSWUGFBAN-UHFFFAOYSA-N -1 3 368.706 3.186 20 0 FGADHM Cc1cc(C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)cc(C)c1F ZINC000826260571 608155370 /nfs/dbraw/zinc/15/53/70/608155370.db2.gz VDLWFGKTHLVYSG-UHFFFAOYSA-N -1 3 356.405 3.431 20 0 FGADHM Cc1cc(C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)cc(C)c1F ZINC000826260571 608155373 /nfs/dbraw/zinc/15/53/73/608155373.db2.gz VDLWFGKTHLVYSG-UHFFFAOYSA-N -1 3 356.405 3.431 20 0 FGADHM CCSc1cccc(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000825674715 608156532 /nfs/dbraw/zinc/15/65/32/608156532.db2.gz RAZCHJRSIMUVCE-UHFFFAOYSA-N -1 3 357.414 3.394 20 0 FGADHM CCSc1cccc(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000825674715 608156535 /nfs/dbraw/zinc/15/65/35/608156535.db2.gz RAZCHJRSIMUVCE-UHFFFAOYSA-N -1 3 357.414 3.394 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)c1cc(F)c(Cl)cc1F ZINC000826254085 608164526 /nfs/dbraw/zinc/16/45/26/608164526.db2.gz SYQVEGWEOHODLI-UHFFFAOYSA-N -1 3 364.739 3.464 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)c1cc(F)c(Cl)cc1F ZINC000826254085 608164527 /nfs/dbraw/zinc/16/45/27/608164527.db2.gz SYQVEGWEOHODLI-UHFFFAOYSA-N -1 3 364.739 3.464 20 0 FGADHM C[C@@H]1OCC[C@@H]1C(=O)OCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000825018735 608175418 /nfs/dbraw/zinc/17/54/18/608175418.db2.gz APNPDLCJFLTGBP-BBRMVZONSA-N -1 3 364.405 3.002 20 0 FGADHM C[C@@H]1OCC[C@@H]1C(=O)OCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000825018735 608175420 /nfs/dbraw/zinc/17/54/20/608175420.db2.gz APNPDLCJFLTGBP-BBRMVZONSA-N -1 3 364.405 3.002 20 0 FGADHM CCc1ccccc1C(=O)Nc1nc2cc(-c3nnn[n-]3)ccc2n1CC ZINC000825722926 608178549 /nfs/dbraw/zinc/17/85/49/608178549.db2.gz OFYOLQBLOCKAGZ-UHFFFAOYSA-N -1 3 361.409 3.051 20 0 FGADHM CCc1ccccc1C(=O)Nc1nc2cc(-c3nn[n-]n3)ccc2n1CC ZINC000825722926 608178551 /nfs/dbraw/zinc/17/85/51/608178551.db2.gz OFYOLQBLOCKAGZ-UHFFFAOYSA-N -1 3 361.409 3.051 20 0 FGADHM C[C@@H](COC(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1cccc(Cl)c1 ZINC000824440200 608186805 /nfs/dbraw/zinc/18/68/05/608186805.db2.gz BGNYQUPVFQIOBV-LBPRGKRZSA-N -1 3 356.813 3.410 20 0 FGADHM C[C@@H](COC(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1cccc(Cl)c1 ZINC000824440200 608186807 /nfs/dbraw/zinc/18/68/07/608186807.db2.gz BGNYQUPVFQIOBV-LBPRGKRZSA-N -1 3 356.813 3.410 20 0 FGADHM C[C@@H]1CCCC[C@H]1NC(=O)CSc1cccc(Cl)c1-c1nnn[n-]1 ZINC000824936490 608205996 /nfs/dbraw/zinc/20/59/96/608205996.db2.gz IABQXDBVMKSIRC-ZYHUDNBSSA-N -1 3 365.890 3.307 20 0 FGADHM C[C@@H]1CCCC[C@H]1NC(=O)CSc1cccc(Cl)c1-c1nn[n-]n1 ZINC000824936490 608205997 /nfs/dbraw/zinc/20/59/97/608205997.db2.gz IABQXDBVMKSIRC-ZYHUDNBSSA-N -1 3 365.890 3.307 20 0 FGADHM O=C(c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1)N1CC[C@H](C2CC2)C1 ZINC000826474545 608208850 /nfs/dbraw/zinc/20/88/50/608208850.db2.gz VJARQLDKSREQAU-KRWDZBQOSA-N -1 3 374.448 3.482 20 0 FGADHM CC(=O)Nc1ccc(CCNc2ccc3cc(-c4nnn[n-]4)ccc3n2)cc1 ZINC000823999691 608226150 /nfs/dbraw/zinc/22/61/50/608226150.db2.gz HLKBKGHKRRXHEK-UHFFFAOYSA-N -1 3 373.420 3.028 20 0 FGADHM CC(=O)Nc1ccc(CCNc2ccc3cc(-c4nn[n-]n4)ccc3n2)cc1 ZINC000823999691 608226153 /nfs/dbraw/zinc/22/61/53/608226153.db2.gz HLKBKGHKRRXHEK-UHFFFAOYSA-N -1 3 373.420 3.028 20 0 FGADHM OC[C@H](Nc1cc(-c2nnn[n-]2)c2ccccc2n1)c1ccc(Cl)cc1 ZINC000826508581 608240222 /nfs/dbraw/zinc/24/02/22/608240222.db2.gz UXQDFZDNLVFFFY-INIZCTEOSA-N -1 3 366.812 3.214 20 0 FGADHM OC[C@H](Nc1cc(-c2nn[n-]n2)c2ccccc2n1)c1ccc(Cl)cc1 ZINC000826508581 608240223 /nfs/dbraw/zinc/24/02/23/608240223.db2.gz UXQDFZDNLVFFFY-INIZCTEOSA-N -1 3 366.812 3.214 20 0 FGADHM O=C(C=Cc1ccc2[nH]ccc2c1)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826401289 608252604 /nfs/dbraw/zinc/25/26/04/608252604.db2.gz USQYTMWLFJPIAC-ZZXKWVIFSA-N -1 3 363.352 3.244 20 0 FGADHM O=C(C=Cc1ccc2[nH]ccc2c1)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826401289 608252606 /nfs/dbraw/zinc/25/26/06/608252606.db2.gz USQYTMWLFJPIAC-ZZXKWVIFSA-N -1 3 363.352 3.244 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)[C@@H](c1ccccc1)C1CC1 ZINC000826183808 608253976 /nfs/dbraw/zinc/25/39/76/608253976.db2.gz AQBXJYYMUBNMCY-SFHVURJKSA-N -1 3 364.405 3.112 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)[C@@H](c1ccccc1)C1CC1 ZINC000826183808 608253978 /nfs/dbraw/zinc/25/39/78/608253978.db2.gz AQBXJYYMUBNMCY-SFHVURJKSA-N -1 3 364.405 3.112 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)[C@H](c1ccccc1)C1CC1 ZINC000826465602 608254634 /nfs/dbraw/zinc/25/46/34/608254634.db2.gz ULNDGXRPNILJBP-QGZVFWFLSA-N -1 3 352.369 3.243 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)[C@H](c1ccccc1)C1CC1 ZINC000826465602 608254636 /nfs/dbraw/zinc/25/46/36/608254636.db2.gz ULNDGXRPNILJBP-QGZVFWFLSA-N -1 3 352.369 3.243 20 0 FGADHM CC[C@H]1CC[C@@H](C)N1C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000825192456 608269431 /nfs/dbraw/zinc/26/94/31/608269431.db2.gz GZJRNLKZQKZVNP-OCCSQVGLSA-N -1 3 358.446 3.449 20 0 FGADHM CC[C@H]1CC[C@@H](C)N1C(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000825192456 608269432 /nfs/dbraw/zinc/26/94/32/608269432.db2.gz GZJRNLKZQKZVNP-OCCSQVGLSA-N -1 3 358.446 3.449 20 0 FGADHM CC[C@@H](OC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1cc(C)ccc1OC ZINC000825153731 608272518 /nfs/dbraw/zinc/27/25/18/608272518.db2.gz IXUXCETTYMERRR-QGZVFWFLSA-N -1 3 366.421 3.421 20 0 FGADHM CC[C@@H](OC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1cc(C)ccc1OC ZINC000825153731 608272519 /nfs/dbraw/zinc/27/25/19/608272519.db2.gz IXUXCETTYMERRR-QGZVFWFLSA-N -1 3 366.421 3.421 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)c(N2CCC(=Cc3cccc(F)c3)CC2)n1 ZINC000826274036 608276029 /nfs/dbraw/zinc/27/60/29/608276029.db2.gz FAGVDQQQJSFBKO-UHFFFAOYSA-N -1 3 350.401 3.393 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)c(N2CCC(=Cc3cccc(F)c3)CC2)n1 ZINC000826274036 608276031 /nfs/dbraw/zinc/27/60/31/608276031.db2.gz FAGVDQQQJSFBKO-UHFFFAOYSA-N -1 3 350.401 3.393 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)c(NCc2nc3cc(Cl)ccc3s2)n1 ZINC000826277568 608279388 /nfs/dbraw/zinc/27/93/88/608279388.db2.gz YLXHEEPMYRXLAB-UHFFFAOYSA-N -1 3 357.830 3.445 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)c(NCc2nc3cc(Cl)ccc3s2)n1 ZINC000826277568 608279389 /nfs/dbraw/zinc/27/93/89/608279389.db2.gz YLXHEEPMYRXLAB-UHFFFAOYSA-N -1 3 357.830 3.445 20 0 FGADHM COc1ccc(C[C@@H]2CCCN(c3nc(C)ccc3-c3nnn[n-]3)C2)cc1 ZINC000826191575 608290717 /nfs/dbraw/zinc/29/07/17/608290717.db2.gz JTVBAAJQSMBWDP-INIZCTEOSA-N -1 3 364.453 3.038 20 0 FGADHM COc1ccc(C[C@@H]2CCCN(c3nc(C)ccc3-c3nn[n-]n3)C2)cc1 ZINC000826191575 608290718 /nfs/dbraw/zinc/29/07/18/608290718.db2.gz JTVBAAJQSMBWDP-INIZCTEOSA-N -1 3 364.453 3.038 20 0 FGADHM c1cc2nc(N3CCC[C@@H](C[C@@H]4CCOC4)C3)ccc2cc1-c1nnn[n-]1 ZINC000826518276 608296868 /nfs/dbraw/zinc/29/68/68/608296868.db2.gz IGAFQYPPRNOUFR-GJZGRUSLSA-N -1 3 364.453 3.058 20 0 FGADHM c1cc2nc(N3CCC[C@@H](C[C@@H]4CCOC4)C3)ccc2cc1-c1nn[n-]n1 ZINC000826518276 608296871 /nfs/dbraw/zinc/29/68/71/608296871.db2.gz IGAFQYPPRNOUFR-GJZGRUSLSA-N -1 3 364.453 3.058 20 0 FGADHM c1cc2c(ncnc2NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)[nH]1 ZINC000826519857 608297112 /nfs/dbraw/zinc/29/71/12/608297112.db2.gz RDKMCMLOFCXAQX-UHFFFAOYSA-N -1 3 368.404 3.417 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)c1cccc([C@H]2CCCOC2)c1 ZINC000826454746 608309890 /nfs/dbraw/zinc/30/98/90/608309890.db2.gz JJIIOEIKMJMBQS-AWEZNQCLSA-N -1 3 367.384 3.152 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)c1cccc([C@H]2CCCOC2)c1 ZINC000826454746 608309892 /nfs/dbraw/zinc/30/98/92/608309892.db2.gz JJIIOEIKMJMBQS-AWEZNQCLSA-N -1 3 367.384 3.152 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1CSCc1cccc2nsnc21 ZINC000826173800 608323343 /nfs/dbraw/zinc/32/33/43/608323343.db2.gz VLBFEURXQFSVMM-UHFFFAOYSA-N -1 3 370.463 3.313 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1CSCc1cccc2nsnc21 ZINC000826173800 608323344 /nfs/dbraw/zinc/32/33/44/608323344.db2.gz VLBFEURXQFSVMM-UHFFFAOYSA-N -1 3 370.463 3.313 20 0 FGADHM CS[C@@H](C)CCC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826225720 608342694 /nfs/dbraw/zinc/34/26/94/608342694.db2.gz JANFKYCHRJJTJU-QMMMGPOBSA-N -1 3 359.377 3.356 20 0 FGADHM CS[C@@H](C)CCC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826225720 608342696 /nfs/dbraw/zinc/34/26/96/608342696.db2.gz JANFKYCHRJJTJU-QMMMGPOBSA-N -1 3 359.377 3.356 20 0 FGADHM CCN(C(=O)c1cc(C(C)C)no1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825379533 608345578 /nfs/dbraw/zinc/34/55/78/608345578.db2.gz HQLZLYGBVIIQHE-UHFFFAOYSA-N -1 3 360.805 3.298 20 0 FGADHM CCN(C(=O)c1cc(C(C)C)no1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825379533 608345580 /nfs/dbraw/zinc/34/55/80/608345580.db2.gz HQLZLYGBVIIQHE-UHFFFAOYSA-N -1 3 360.805 3.298 20 0 FGADHM Fc1c(CSCc2cccc3c2OCCO3)cccc1-c1nnn[n-]1 ZINC000826371185 608404795 /nfs/dbraw/zinc/40/47/95/608404795.db2.gz WBXGQJAIDGGGCQ-UHFFFAOYSA-N -1 3 358.398 3.210 20 0 FGADHM Fc1c(CSCc2cccc3c2OCCO3)cccc1-c1nn[n-]n1 ZINC000826371185 608404797 /nfs/dbraw/zinc/40/47/97/608404797.db2.gz WBXGQJAIDGGGCQ-UHFFFAOYSA-N -1 3 358.398 3.210 20 0 FGADHM Cc1ccc(C(=O)CCC(=O)OCc2cccc(-c3nnn[n-]3)c2F)s1 ZINC000826281472 608439842 /nfs/dbraw/zinc/43/98/42/608439842.db2.gz UIBGNXHSIKQGEP-UHFFFAOYSA-N -1 3 374.397 3.082 20 0 FGADHM Cc1ccc(C(=O)CCC(=O)OCc2cccc(-c3nn[n-]n3)c2F)s1 ZINC000826281472 608439844 /nfs/dbraw/zinc/43/98/44/608439844.db2.gz UIBGNXHSIKQGEP-UHFFFAOYSA-N -1 3 374.397 3.082 20 0 FGADHM Cc1ccc2c(C(=O)OCc3cccc(-c4nnn[n-]4)c3F)c[nH]c2c1 ZINC000826293246 608445023 /nfs/dbraw/zinc/44/50/23/608445023.db2.gz HSWLETAJWUVPIC-UHFFFAOYSA-N -1 3 351.341 3.153 20 0 FGADHM Cc1ccc2c(C(=O)OCc3cccc(-c4nn[n-]n4)c3F)c[nH]c2c1 ZINC000826293246 608445024 /nfs/dbraw/zinc/44/50/24/608445024.db2.gz HSWLETAJWUVPIC-UHFFFAOYSA-N -1 3 351.341 3.153 20 0 FGADHM O=C(C[C@H]1CCc2ccccc21)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826404500 608448479 /nfs/dbraw/zinc/44/84/79/608448479.db2.gz CFAKXDACSRLNJK-CYBMUJFWSA-N -1 3 352.369 3.169 20 0 FGADHM O=C(C[C@H]1CCc2ccccc21)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826404500 608448481 /nfs/dbraw/zinc/44/84/81/608448481.db2.gz CFAKXDACSRLNJK-CYBMUJFWSA-N -1 3 352.369 3.169 20 0 FGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000826466157 608448697 /nfs/dbraw/zinc/44/86/97/608448697.db2.gz QOIQQURHRVMRRO-STQMWFEESA-N -1 3 374.322 3.131 20 0 FGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000826466157 608448699 /nfs/dbraw/zinc/44/86/99/608448699.db2.gz QOIQQURHRVMRRO-STQMWFEESA-N -1 3 374.322 3.131 20 0 FGADHM COc1ccc([C@@H](C)CC(=O)OCc2cccc(-c3nnn[n-]3)c2F)cc1 ZINC000826188388 608451064 /nfs/dbraw/zinc/45/10/64/608451064.db2.gz VVIXGZOTKROUAY-LBPRGKRZSA-N -1 3 370.384 3.251 20 0 FGADHM COc1ccc([C@@H](C)CC(=O)OCc2cccc(-c3nn[n-]n3)c2F)cc1 ZINC000826188388 608451066 /nfs/dbraw/zinc/45/10/66/608451066.db2.gz VVIXGZOTKROUAY-LBPRGKRZSA-N -1 3 370.384 3.251 20 0 FGADHM O=C(C=Cc1ccc2[nH]ccc2c1)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826400483 608455280 /nfs/dbraw/zinc/45/52/80/608455280.db2.gz AAAYMKNNCZGQMW-FNORWQNLSA-N -1 3 363.352 3.244 20 0 FGADHM O=C(C=Cc1ccc2[nH]ccc2c1)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826400483 608455281 /nfs/dbraw/zinc/45/52/81/608455281.db2.gz AAAYMKNNCZGQMW-FNORWQNLSA-N -1 3 363.352 3.244 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)c1cc(F)cc2cccnc21 ZINC000826253806 608455966 /nfs/dbraw/zinc/45/59/66/608455966.db2.gz FNOMFEHNQXLNNL-UHFFFAOYSA-N -1 3 363.352 3.219 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)c1cc(F)cc2cccnc21 ZINC000826253806 608455968 /nfs/dbraw/zinc/45/59/68/608455968.db2.gz FNOMFEHNQXLNNL-UHFFFAOYSA-N -1 3 363.352 3.219 20 0 FGADHM CCO[C@@H](C)c1nc(CN[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000825577219 608465726 /nfs/dbraw/zinc/46/57/26/608465726.db2.gz UFVIHEQPPRYLMS-RYUDHWBXSA-N -1 3 358.471 3.272 20 0 FGADHM CCO[C@@H](C)c1nc(CN[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000825577219 608465727 /nfs/dbraw/zinc/46/57/27/608465727.db2.gz UFVIHEQPPRYLMS-RYUDHWBXSA-N -1 3 358.471 3.272 20 0 FGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)Nc1ccnc(-c2ccccc2)c1 ZINC000826441231 608476298 /nfs/dbraw/zinc/47/62/98/608476298.db2.gz VGHQGMOMHZNVOV-UHFFFAOYSA-N -1 3 371.404 3.250 20 0 FGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)Nc1ccnc(-c2ccccc2)c1 ZINC000826441231 608476299 /nfs/dbraw/zinc/47/62/99/608476299.db2.gz VGHQGMOMHZNVOV-UHFFFAOYSA-N -1 3 371.404 3.250 20 0 FGADHM CCc1cccc(CC(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000825723175 608485099 /nfs/dbraw/zinc/48/50/99/608485099.db2.gz SWYUVSCYERGPSI-UHFFFAOYSA-N -1 3 373.460 3.288 20 0 FGADHM CCc1cccc(CC(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000825723175 608485100 /nfs/dbraw/zinc/48/51/00/608485100.db2.gz SWYUVSCYERGPSI-UHFFFAOYSA-N -1 3 373.460 3.288 20 0 FGADHM CN(C(=O)c1ccccc1OC(F)(F)F)c1ccccc1-c1nnn[n-]1 ZINC000825833182 608546491 /nfs/dbraw/zinc/54/64/91/608546491.db2.gz BBAHRGFWPMNZMN-UHFFFAOYSA-N -1 3 363.299 3.042 20 0 FGADHM CN(C(=O)c1ccccc1OC(F)(F)F)c1ccccc1-c1nn[n-]n1 ZINC000825833182 608546493 /nfs/dbraw/zinc/54/64/93/608546493.db2.gz BBAHRGFWPMNZMN-UHFFFAOYSA-N -1 3 363.299 3.042 20 0 FGADHM C[C@@H](NC(=O)c1ccc(F)c(Cl)c1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000824521226 608574807 /nfs/dbraw/zinc/57/48/07/608574807.db2.gz IJXLUFBFFFKEDU-MRVPVSSYSA-N -1 3 363.755 3.289 20 0 FGADHM C[C@@H](NC(=O)c1ccc(F)c(Cl)c1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000824521226 608574809 /nfs/dbraw/zinc/57/48/09/608574809.db2.gz IJXLUFBFFFKEDU-MRVPVSSYSA-N -1 3 363.755 3.289 20 0 FGADHM COc1cccc2c1N(C(=O)c1ccc(Cl)c(-c3nnn[n-]3)c1)CCC2 ZINC000826217949 608575310 /nfs/dbraw/zinc/57/53/10/608575310.db2.gz JIQLKJCDSJRVRO-UHFFFAOYSA-N -1 3 369.812 3.122 20 0 FGADHM COc1cccc2c1N(C(=O)c1ccc(Cl)c(-c3nn[n-]n3)c1)CCC2 ZINC000826217949 608575311 /nfs/dbraw/zinc/57/53/11/608575311.db2.gz JIQLKJCDSJRVRO-UHFFFAOYSA-N -1 3 369.812 3.122 20 0 FGADHM Cc1nc2ccc(NC(=O)c3ccc(Cl)c(-c4nnn[n-]4)c3)cc2o1 ZINC000826329208 608575815 /nfs/dbraw/zinc/57/58/15/608575815.db2.gz UHFTWHGYNLPQPS-UHFFFAOYSA-N -1 3 354.757 3.222 20 0 FGADHM Cc1nc2ccc(NC(=O)c3ccc(Cl)c(-c4nn[n-]n4)c3)cc2o1 ZINC000826329208 608575816 /nfs/dbraw/zinc/57/58/16/608575816.db2.gz UHFTWHGYNLPQPS-UHFFFAOYSA-N -1 3 354.757 3.222 20 0 FGADHM C[C@H](OC(=O)c1cncnc1-c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824724067 608576469 /nfs/dbraw/zinc/57/64/69/608576469.db2.gz XXQVDCUGFWKWBO-ZDUSSCGKSA-N -1 3 372.388 3.242 20 0 FGADHM C[C@H](OC(=O)c1cncnc1-c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824724067 608576471 /nfs/dbraw/zinc/57/64/71/608576471.db2.gz XXQVDCUGFWKWBO-ZDUSSCGKSA-N -1 3 372.388 3.242 20 0 FGADHM Cn1c(SCc2cccc(-c3nnn[n-]3)c2F)nnc1-c1cccs1 ZINC000826356637 608669587 /nfs/dbraw/zinc/66/95/87/608669587.db2.gz ZNFQNOIMKQMCMB-UHFFFAOYSA-N -1 3 373.442 3.155 20 0 FGADHM Cn1c(SCc2cccc(-c3nn[n-]n3)c2F)nnc1-c1cccs1 ZINC000826356637 608669588 /nfs/dbraw/zinc/66/95/88/608669588.db2.gz ZNFQNOIMKQMCMB-UHFFFAOYSA-N -1 3 373.442 3.155 20 0 FGADHM Cc1ccc(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)c(O)c1C ZINC000826281805 608762337 /nfs/dbraw/zinc/76/23/37/608762337.db2.gz KNOFIERBBYFZNH-UHFFFAOYSA-N -1 3 365.437 3.240 20 0 FGADHM CC(C)c1ccc(OC2CCN(c3cnccc3-c3nnn[n-]3)CC2)cc1 ZINC000824347797 608772916 /nfs/dbraw/zinc/77/29/16/608772916.db2.gz NZHWVUWXWWALSY-UHFFFAOYSA-N -1 3 364.453 3.433 20 0 FGADHM CC(C)c1ccc(OC2CCN(c3cnccc3-c3nn[n-]n3)CC2)cc1 ZINC000824347797 608772920 /nfs/dbraw/zinc/77/29/20/608772920.db2.gz NZHWVUWXWWALSY-UHFFFAOYSA-N -1 3 364.453 3.433 20 0 FGADHM CCCOc1ccc([C@@H](C)Nc2cnccc2-c2nnn[n-]2)cc1OC ZINC000825339090 608773966 /nfs/dbraw/zinc/77/39/66/608773966.db2.gz MIZRWWXHVXDEPV-GFCCVEGCSA-N -1 3 354.414 3.232 20 0 FGADHM CCCOc1ccc([C@@H](C)Nc2cnccc2-c2nn[n-]n2)cc1OC ZINC000825339090 608773967 /nfs/dbraw/zinc/77/39/67/608773967.db2.gz MIZRWWXHVXDEPV-GFCCVEGCSA-N -1 3 354.414 3.232 20 0 FGADHM C[C@@H]1Cc2cc(F)ccc2[C@@H](C)N1C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000825012161 608825007 /nfs/dbraw/zinc/82/50/07/608825007.db2.gz DRVCFZVOQFRRGB-CHWSQXEVSA-N -1 3 365.412 3.083 20 0 FGADHM C[C@@H]1Cc2cc(F)ccc2[C@@H](C)N1C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000825012161 608825011 /nfs/dbraw/zinc/82/50/11/608825011.db2.gz DRVCFZVOQFRRGB-CHWSQXEVSA-N -1 3 365.412 3.083 20 0 FGADHM Cc1c(NC(=O)N2C[C@@H](C(F)(F)F)CC[C@@H]2C)cccc1-c1nnn[n-]1 ZINC000826241696 609159990 /nfs/dbraw/zinc/15/99/90/609159990.db2.gz LPJAYQKJUVMVME-ONGXEEELSA-N -1 3 368.363 3.370 20 0 FGADHM Cc1c(NC(=O)N2C[C@@H](C(F)(F)F)CC[C@@H]2C)cccc1-c1nn[n-]n1 ZINC000826241696 609159991 /nfs/dbraw/zinc/15/99/91/609159991.db2.gz LPJAYQKJUVMVME-ONGXEEELSA-N -1 3 368.363 3.370 20 0 FGADHM CC(C)C[C@H]1C[C@H](Nc2nc3c(cc2-c2nnn[n-]2)CCCC3)CCO1 ZINC000824243543 609170805 /nfs/dbraw/zinc/17/08/05/609170805.db2.gz IUYGJZIXASRDBE-CABCVRRESA-N -1 3 356.474 3.146 20 0 FGADHM CC(C)C[C@H]1C[C@H](Nc2nc3c(cc2-c2nn[n-]n2)CCCC3)CCO1 ZINC000824243543 609170807 /nfs/dbraw/zinc/17/08/07/609170807.db2.gz IUYGJZIXASRDBE-CABCVRRESA-N -1 3 356.474 3.146 20 0 FGADHM CN(Cc1cc(F)c(F)c(F)c1)c1nc2ccccc2cc1-c1nnn[n-]1 ZINC000825954151 609171479 /nfs/dbraw/zinc/17/14/79/609171479.db2.gz XMGHPTHSMDAKIQ-UHFFFAOYSA-N -1 3 370.338 3.469 20 0 FGADHM CN(Cc1cc(F)c(F)c(F)c1)c1nc2ccccc2cc1-c1nn[n-]n1 ZINC000825954151 609171481 /nfs/dbraw/zinc/17/14/81/609171481.db2.gz XMGHPTHSMDAKIQ-UHFFFAOYSA-N -1 3 370.338 3.469 20 0 FGADHM C[C@@H](Nc1cccc(CN2CCCC2=O)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824662238 609174226 /nfs/dbraw/zinc/17/42/26/609174226.db2.gz GHWBOVHTZLRIQD-CQSZACIVSA-N -1 3 362.437 3.162 20 0 FGADHM C[C@@H](Nc1cccc(CN2CCCC2=O)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824662238 609174228 /nfs/dbraw/zinc/17/42/28/609174228.db2.gz GHWBOVHTZLRIQD-CQSZACIVSA-N -1 3 362.437 3.162 20 0 FGADHM Fc1ccc(Br)cc1OCc1cccc(-c2nnn[n-]2)c1F ZINC000826373210 609182344 /nfs/dbraw/zinc/18/23/44/609182344.db2.gz DHNXZAWDNIIMSS-UHFFFAOYSA-N -1 3 367.153 3.486 20 0 FGADHM Fc1ccc(Br)cc1OCc1cccc(-c2nn[n-]n2)c1F ZINC000826373210 609182346 /nfs/dbraw/zinc/18/23/46/609182346.db2.gz DHNXZAWDNIIMSS-UHFFFAOYSA-N -1 3 367.153 3.486 20 0 FGADHM Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826261616 609191316 /nfs/dbraw/zinc/19/13/16/609191316.db2.gz LKFVRYMDTPJOIC-UHFFFAOYSA-N -1 3 366.469 3.082 20 0 FGADHM Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826261616 609191318 /nfs/dbraw/zinc/19/13/18/609191318.db2.gz LKFVRYMDTPJOIC-UHFFFAOYSA-N -1 3 366.469 3.082 20 0 FGADHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000826468903 609191684 /nfs/dbraw/zinc/19/16/84/609191684.db2.gz MCYPHPKPNDVNMT-UHFFFAOYSA-N -1 3 368.416 3.309 20 0 FGADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000826468903 609191686 /nfs/dbraw/zinc/19/16/86/609191686.db2.gz MCYPHPKPNDVNMT-UHFFFAOYSA-N -1 3 368.416 3.309 20 0 FGADHM C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000824763615 609193611 /nfs/dbraw/zinc/19/36/11/609193611.db2.gz OAFJMOMODSMCLI-QMMMGPOBSA-N -1 3 365.224 3.335 20 0 FGADHM C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000824763615 609193613 /nfs/dbraw/zinc/19/36/13/609193613.db2.gz OAFJMOMODSMCLI-QMMMGPOBSA-N -1 3 365.224 3.335 20 0 FGADHM C[C@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(c1ccccc1)c1ccccc1 ZINC000824507076 609194916 /nfs/dbraw/zinc/19/49/16/609194916.db2.gz TTWWLJQEVCCEEW-AWEZNQCLSA-N -1 3 372.432 3.145 20 0 FGADHM C[C@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(c1ccccc1)c1ccccc1 ZINC000824507076 609194917 /nfs/dbraw/zinc/19/49/17/609194917.db2.gz TTWWLJQEVCCEEW-AWEZNQCLSA-N -1 3 372.432 3.145 20 0 FGADHM O=C(N[C@H](c1ccccc1)C1CCCCC1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826427357 609197307 /nfs/dbraw/zinc/19/73/07/609197307.db2.gz NHQSSBSWJBPXSN-QGZVFWFLSA-N -1 3 350.426 3.246 20 0 FGADHM O=C(N[C@H](c1ccccc1)C1CCCCC1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826427357 609197308 /nfs/dbraw/zinc/19/73/08/609197308.db2.gz NHQSSBSWJBPXSN-QGZVFWFLSA-N -1 3 350.426 3.246 20 0 FGADHM CCc1cccc(OC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000825722497 609254554 /nfs/dbraw/zinc/25/45/54/609254554.db2.gz IMLZXKYZMOVVDQ-SFHVURJKSA-N -1 3 363.421 3.004 20 0 FGADHM C[C@H](OC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)c1cccs1 ZINC000824715972 609256077 /nfs/dbraw/zinc/25/60/77/609256077.db2.gz VTIUCGMTEQMZNZ-SWLSCSKDSA-N -1 3 369.450 3.201 20 0 FGADHM C[C@H](Nc1ccccc1SCCC(N)=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824663097 609278302 /nfs/dbraw/zinc/27/83/02/609278302.db2.gz VSMMWGAVSRUNEU-LBPRGKRZSA-N -1 3 368.466 3.007 20 0 FGADHM C[C@H](Nc1ccccc1SCCC(N)=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824663097 609278304 /nfs/dbraw/zinc/27/83/04/609278304.db2.gz VSMMWGAVSRUNEU-LBPRGKRZSA-N -1 3 368.466 3.007 20 0 FGADHM C[C@H](Nc1ccc(N2CCOC[C@@H]2C)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824656111 609279592 /nfs/dbraw/zinc/27/95/92/609279592.db2.gz HNYTXBVFYYNTOI-GJZGRUSLSA-N -1 3 364.453 3.265 20 0 FGADHM C[C@H](Nc1ccc(N2CCOC[C@@H]2C)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824656111 609279593 /nfs/dbraw/zinc/27/95/93/609279593.db2.gz HNYTXBVFYYNTOI-GJZGRUSLSA-N -1 3 364.453 3.265 20 0 FGADHM Cc1ccc(C(C)C)cc1OCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000826282789 609283030 /nfs/dbraw/zinc/28/30/30/609283030.db2.gz CIXDEXUOSCHQRW-UHFFFAOYSA-N -1 3 351.410 3.316 20 0 FGADHM Cc1ccc(C(C)C)cc1OCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000826282789 609283032 /nfs/dbraw/zinc/28/30/32/609283032.db2.gz CIXDEXUOSCHQRW-UHFFFAOYSA-N -1 3 351.410 3.316 20 0 FGADHM Cc1nn(-c2ccccc2)cc1NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000826332670 609284258 /nfs/dbraw/zinc/28/42/58/609284258.db2.gz BYTRGGQUOPFSCI-VAWYXSNFSA-N -1 3 371.404 3.013 20 0 FGADHM Cc1nn(-c2ccccc2)cc1NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000826332670 609284259 /nfs/dbraw/zinc/28/42/59/609284259.db2.gz BYTRGGQUOPFSCI-VAWYXSNFSA-N -1 3 371.404 3.013 20 0 FGADHM CC(C)CC(C)(C)C(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000824227733 609290147 /nfs/dbraw/zinc/29/01/47/609290147.db2.gz AYLCLPYILRCSQF-UHFFFAOYSA-N -1 3 371.420 3.202 20 0 FGADHM Cc1nnc(SC[C@H]2CCCc3ccccc32)c(-c2nnn[n-]2)c1C ZINC000826336946 609308890 /nfs/dbraw/zinc/30/88/90/609308890.db2.gz VQQUUUKDLMLWFV-CQSZACIVSA-N -1 3 352.467 3.486 20 0 FGADHM Cc1nnc(SC[C@H]2CCCc3ccccc32)c(-c2nn[n-]n2)c1C ZINC000826336946 609308892 /nfs/dbraw/zinc/30/88/92/609308892.db2.gz VQQUUUKDLMLWFV-CQSZACIVSA-N -1 3 352.467 3.486 20 0 FGADHM C[C@H]1OCC[C@H]1SCc1ccc(-c2nnn[n-]2)cc1Br ZINC000825021691 609312492 /nfs/dbraw/zinc/31/24/92/609312492.db2.gz SWLAFXHVFMBJNP-PRHODGIISA-N -1 3 355.261 3.040 20 0 FGADHM C[C@H]1OCC[C@H]1SCc1ccc(-c2nn[n-]n2)cc1Br ZINC000825021691 609312494 /nfs/dbraw/zinc/31/24/94/609312494.db2.gz SWLAFXHVFMBJNP-PRHODGIISA-N -1 3 355.261 3.040 20 0 FGADHM CC(C)(C)OCC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824119723 609317345 /nfs/dbraw/zinc/31/73/45/609317345.db2.gz PCCQGVNESDYTNE-UHFFFAOYSA-N -1 3 367.409 3.413 20 0 FGADHM CC(C)(C)OCC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824119723 609317346 /nfs/dbraw/zinc/31/73/46/609317346.db2.gz PCCQGVNESDYTNE-UHFFFAOYSA-N -1 3 367.409 3.413 20 0 FGADHM C[C@H]1CCN(c2c(-c3nnn[n-]3)cnc3c(F)ccc(Cl)c32)C[C@H]1F ZINC000824961872 609318755 /nfs/dbraw/zinc/31/87/55/609318755.db2.gz KDMHTDPAHNXSRH-QPUJVOFHSA-N -1 3 364.787 3.392 20 0 FGADHM C[C@H]1CCN(c2c(-c3nn[n-]n3)cnc3c(F)ccc(Cl)c32)C[C@H]1F ZINC000824961872 609318756 /nfs/dbraw/zinc/31/87/56/609318756.db2.gz KDMHTDPAHNXSRH-QPUJVOFHSA-N -1 3 364.787 3.392 20 0 FGADHM CC(C)(C)OCC(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000824119593 609321417 /nfs/dbraw/zinc/32/14/17/609321417.db2.gz LMYYLAJRBJPQDD-UHFFFAOYSA-N -1 3 371.466 3.027 20 0 FGADHM Fc1cccc2c1OCCC[C@@H]2Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC000826377707 609324566 /nfs/dbraw/zinc/32/45/66/609324566.db2.gz BXINXGMVKVPJNM-ZDUSSCGKSA-N -1 3 360.780 3.380 20 0 FGADHM Fc1cccc2c1OCCC[C@@H]2Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC000826377707 609324567 /nfs/dbraw/zinc/32/45/67/609324567.db2.gz BXINXGMVKVPJNM-ZDUSSCGKSA-N -1 3 360.780 3.380 20 0 FGADHM C[C@H](N[C@@H]1COc2ccc(Cl)cc21)c1ccc(-c2nnn[n-]2)cc1F ZINC000824554494 609343758 /nfs/dbraw/zinc/34/37/58/609343758.db2.gz PSMJQZAHJPEMRS-BJOHPYRUSA-N -1 3 359.792 3.444 20 0 FGADHM C[C@H](N[C@@H]1COc2ccc(Cl)cc21)c1ccc(-c2nn[n-]n2)cc1F ZINC000824554494 609343759 /nfs/dbraw/zinc/34/37/59/609343759.db2.gz PSMJQZAHJPEMRS-BJOHPYRUSA-N -1 3 359.792 3.444 20 0 FGADHM CCCCn1cc(CN[C@H](C)c2ccc(-c3nn[n-]n3)cc2F)c(C)n1 ZINC000825302088 609346404 /nfs/dbraw/zinc/34/64/04/609346404.db2.gz WFHMJPGVDIGLLM-CYBMUJFWSA-N -1 3 357.437 3.162 20 0 FGADHM Fc1cccc2c1OCCC[C@@H]2NCc1ccc(-c2nn[n-]n2)cc1F ZINC000826371736 609347063 /nfs/dbraw/zinc/34/70/63/609347063.db2.gz RVXJTNUHWQDPHT-INIZCTEOSA-N -1 3 357.364 3.148 20 0 FGADHM O=C(N[C@@H]1CC=C(c2ccc(F)cc2)CC1)c1sccc1-c1nnn[n-]1 ZINC000826428939 609348568 /nfs/dbraw/zinc/34/85/68/609348568.db2.gz PVAVBPLUPRSNNF-CQSZACIVSA-N -1 3 369.425 3.433 20 0 FGADHM O=C(N[C@@H]1CC=C(c2ccc(F)cc2)CC1)c1sccc1-c1nn[n-]n1 ZINC000826428939 609348570 /nfs/dbraw/zinc/34/85/70/609348570.db2.gz PVAVBPLUPRSNNF-CQSZACIVSA-N -1 3 369.425 3.433 20 0 FGADHM C[C@H]1CC[C@@H](C(=O)OCc2ccc(-c3nnn[n-]3)cc2Br)C1 ZINC000824908787 609349297 /nfs/dbraw/zinc/34/92/97/609349297.db2.gz QOFYNRBIUMMINZ-GXSJLCMTSA-N -1 3 365.231 3.109 20 0 FGADHM C[C@H]1CC[C@@H](C(=O)OCc2ccc(-c3nn[n-]n3)cc2Br)C1 ZINC000824908787 609349298 /nfs/dbraw/zinc/34/92/98/609349298.db2.gz QOFYNRBIUMMINZ-GXSJLCMTSA-N -1 3 365.231 3.109 20 0 FGADHM C[C@H]1c2cccn2CCN1Cc1ccc(-c2nnn[n-]2)cc1Br ZINC000825028767 609355751 /nfs/dbraw/zinc/35/57/51/609355751.db2.gz KFNJEWJJGGOMSR-NSHDSACASA-N -1 3 373.258 3.008 20 0 FGADHM C[C@H]1c2cccn2CCN1Cc1ccc(-c2nn[n-]n2)cc1Br ZINC000825028767 609355754 /nfs/dbraw/zinc/35/57/54/609355754.db2.gz KFNJEWJJGGOMSR-NSHDSACASA-N -1 3 373.258 3.008 20 0 FGADHM CCCn1cc(C(=O)Oc2ccc(-c3ccc(-c4nnn[n-]4)cc3)cc2)cn1 ZINC000825362564 609368787 /nfs/dbraw/zinc/36/87/87/609368787.db2.gz OUYGKUWSJDMAFO-UHFFFAOYSA-N -1 3 374.404 3.359 20 0 FGADHM CCCn1cc(C(=O)Oc2ccc(-c3ccc(-c4nn[n-]n4)cc3)cc2)cn1 ZINC000825362564 609368790 /nfs/dbraw/zinc/36/87/90/609368790.db2.gz OUYGKUWSJDMAFO-UHFFFAOYSA-N -1 3 374.404 3.359 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)C[C@H]1CCO[C@H](C(C)C)C1 ZINC000825609334 609371148 /nfs/dbraw/zinc/37/11/48/609371148.db2.gz KAHMPEKVSIOTKO-BBRMVZONSA-N -1 3 374.441 3.012 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)C[C@H]1CCO[C@H](C(C)C)C1 ZINC000825609334 609371151 /nfs/dbraw/zinc/37/11/51/609371151.db2.gz KAHMPEKVSIOTKO-BBRMVZONSA-N -1 3 374.441 3.012 20 0 FGADHM C[C@H]1CCN(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C[C@@H]1F ZINC000824945833 609380601 /nfs/dbraw/zinc/38/06/01/609380601.db2.gz GLEJSAHHZKVZBW-UFBFGSQYSA-N -1 3 372.326 3.097 20 0 FGADHM C[C@H]1CCN(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C[C@@H]1F ZINC000824945833 609380604 /nfs/dbraw/zinc/38/06/04/609380604.db2.gz GLEJSAHHZKVZBW-UFBFGSQYSA-N -1 3 372.326 3.097 20 0 FGADHM CCC(CC)[C@H]1C[C@H](NC(=O)Nc2cccc(-c3nnn[n-]3)c2C)CCO1 ZINC000825107484 609382834 /nfs/dbraw/zinc/38/28/34/609382834.db2.gz PGVMGIMSZCLPGE-RHSMWYFYSA-N -1 3 372.473 3.280 20 0 FGADHM CCC(CC)[C@H]1C[C@H](NC(=O)Nc2cccc(-c3nn[n-]n3)c2C)CCO1 ZINC000825107484 609382836 /nfs/dbraw/zinc/38/28/36/609382836.db2.gz PGVMGIMSZCLPGE-RHSMWYFYSA-N -1 3 372.473 3.280 20 0 FGADHM COCCCCOC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826155919 609386190 /nfs/dbraw/zinc/38/61/90/609386190.db2.gz HSZGTTKOVXZFFH-UHFFFAOYSA-N -1 3 368.393 3.242 20 0 FGADHM COCCCCOC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826155919 609386192 /nfs/dbraw/zinc/38/61/92/609386192.db2.gz HSZGTTKOVXZFFH-UHFFFAOYSA-N -1 3 368.393 3.242 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)C[C@@H]1CCO[C@H](C(C)C)C1 ZINC000826253184 609397570 /nfs/dbraw/zinc/39/75/70/609397570.db2.gz HOENLVYZWQZCJD-PBHICJAKSA-N -1 3 358.442 3.060 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)C[C@@H]1CCO[C@H](C(C)C)C1 ZINC000826253184 609397573 /nfs/dbraw/zinc/39/75/73/609397573.db2.gz HOENLVYZWQZCJD-PBHICJAKSA-N -1 3 358.442 3.060 20 0 FGADHM CC[C@@H]1C[C@@H](CC(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)CCO1 ZINC000825184633 609405350 /nfs/dbraw/zinc/40/53/50/609405350.db2.gz XCSPPHWIZGCHBM-SMDDNHRTSA-N -1 3 364.833 3.159 20 0 FGADHM CC[C@@H]1C[C@@H](CC(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)CCO1 ZINC000825184633 609405351 /nfs/dbraw/zinc/40/53/51/609405351.db2.gz XCSPPHWIZGCHBM-SMDDNHRTSA-N -1 3 364.833 3.159 20 0 FGADHM COc1ccc2c(c1)C[C@@H](C)N(C(=O)c1ccc(-c3nnn[n-]3)cc1)[C@@H]2C ZINC000826212343 609408102 /nfs/dbraw/zinc/40/81/02/609408102.db2.gz NOZWBMZKVMIHPG-CHWSQXEVSA-N -1 3 363.421 3.023 20 0 FGADHM COc1ccc2c(c1)C[C@@H](C)N(C(=O)c1ccc(-c3nn[n-]n3)cc1)[C@@H]2C ZINC000826212343 609408105 /nfs/dbraw/zinc/40/81/05/609408105.db2.gz NOZWBMZKVMIHPG-CHWSQXEVSA-N -1 3 363.421 3.023 20 0 FGADHM O=C(C[C@H]1CCCN1c1ncc(-c2nnn[n-]2)cc1Cl)c1cccs1 ZINC000826404913 609429882 /nfs/dbraw/zinc/42/98/82/609429882.db2.gz PWPUUSFPOWFLCD-LLVKDONJSA-N -1 3 374.857 3.218 20 0 FGADHM O=C(C[C@H]1CCCN1c1ncc(-c2nn[n-]n2)cc1Cl)c1cccs1 ZINC000826404913 609429884 /nfs/dbraw/zinc/42/98/84/609429884.db2.gz PWPUUSFPOWFLCD-LLVKDONJSA-N -1 3 374.857 3.218 20 0 FGADHM Cc1c(NCc2ccn(-c3c(F)cccc3F)n2)cccc1-c1nnn[n-]1 ZINC000826242569 609440123 /nfs/dbraw/zinc/44/01/23/609440123.db2.gz UYWUDJNVYPEIGN-UHFFFAOYSA-N -1 3 367.363 3.251 20 0 FGADHM Cc1c(NCc2ccn(-c3c(F)cccc3F)n2)cccc1-c1nn[n-]n1 ZINC000826242569 609440125 /nfs/dbraw/zinc/44/01/25/609440125.db2.gz UYWUDJNVYPEIGN-UHFFFAOYSA-N -1 3 367.363 3.251 20 0 FGADHM FC(F)(F)CCNc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000826367601 609447084 /nfs/dbraw/zinc/44/70/84/609447084.db2.gz GLXIUDRDHJQPNY-UHFFFAOYSA-N -1 3 357.727 3.070 20 0 FGADHM FC(F)(F)CCNc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000826367601 609447085 /nfs/dbraw/zinc/44/70/85/609447085.db2.gz GLXIUDRDHJQPNY-UHFFFAOYSA-N -1 3 357.727 3.070 20 0 FGADHM CCC(C)(C)NC(=O)CSc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000825045155 609450723 /nfs/dbraw/zinc/45/07/23/609450723.db2.gz XQVJRRZWGZCONV-UHFFFAOYSA-N -1 3 373.404 3.282 20 0 FGADHM CCC(C)(C)NC(=O)CSc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000825045155 609450725 /nfs/dbraw/zinc/45/07/25/609450725.db2.gz XQVJRRZWGZCONV-UHFFFAOYSA-N -1 3 373.404 3.282 20 0 FGADHM Cc1cc(CSc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)nn1C ZINC000826267843 609452909 /nfs/dbraw/zinc/45/29/09/609452909.db2.gz ZGPHTXHWHBQUKD-UHFFFAOYSA-N -1 3 354.361 3.220 20 0 FGADHM Cc1cc(CSc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)nn1C ZINC000826267843 609452911 /nfs/dbraw/zinc/45/29/11/609452911.db2.gz ZGPHTXHWHBQUKD-UHFFFAOYSA-N -1 3 354.361 3.220 20 0 FGADHM FC(F)(F)[C@@H]1CCC[C@H](Nc2nc3ccccn3c2-c2nn[n-]n2)C1 ZINC000826367172 609460686 /nfs/dbraw/zinc/46/06/86/609460686.db2.gz OJZCTNTZGFULNA-ZJUUUORDSA-N -1 3 351.336 3.047 20 0 FGADHM FC(F)(F)[C@@H]1CCC[C@H](Nc2nc3ccccn3c2-c2nnn[n-]2)C1 ZINC000826367172 609460685 /nfs/dbraw/zinc/46/06/85/609460685.db2.gz OJZCTNTZGFULNA-ZJUUUORDSA-N -1 3 351.336 3.047 20 0 FGADHM CCNC(=O)c1ccc(Cl)cc1NCc1cccc(-c2nnn[n-]2)c1F ZINC000825476771 609475659 /nfs/dbraw/zinc/47/56/59/609475659.db2.gz VPCPWLNWFHICRM-UHFFFAOYSA-N -1 3 374.807 3.021 20 0 FGADHM CCNC(=O)c1ccc(Cl)cc1NCc1cccc(-c2nn[n-]n2)c1F ZINC000825476771 609475662 /nfs/dbraw/zinc/47/56/62/609475662.db2.gz VPCPWLNWFHICRM-UHFFFAOYSA-N -1 3 374.807 3.021 20 0 FGADHM CC(=O)Nc1ccc(CNc2cc(-c3nnn[n-]3)ccc2OC(C)C)cc1 ZINC000824000214 609478022 /nfs/dbraw/zinc/47/80/22/609478022.db2.gz ZVECSJKGKHHCKB-UHFFFAOYSA-N -1 3 366.425 3.224 20 0 FGADHM CC(=O)Nc1ccc(CNc2cc(-c3nn[n-]n3)ccc2OC(C)C)cc1 ZINC000824000214 609478023 /nfs/dbraw/zinc/47/80/23/609478023.db2.gz ZVECSJKGKHHCKB-UHFFFAOYSA-N -1 3 366.425 3.224 20 0 FGADHM Fc1ccc(NCc2cccc(-c3nnn[n-]3)c2F)c(OCC(F)F)c1 ZINC000826375439 609481578 /nfs/dbraw/zinc/48/15/78/609481578.db2.gz NSGUJLVUUVBQCI-UHFFFAOYSA-N -1 3 367.306 3.401 20 0 FGADHM Fc1ccc(NCc2cccc(-c3nn[n-]n3)c2F)c(OCC(F)F)c1 ZINC000826375439 609481579 /nfs/dbraw/zinc/48/15/79/609481579.db2.gz NSGUJLVUUVBQCI-UHFFFAOYSA-N -1 3 367.306 3.401 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NCc1nc2cc(Cl)ccc2n1C ZINC000826187007 609481739 /nfs/dbraw/zinc/48/17/39/609481739.db2.gz VEMLPMDWMKOVOB-UHFFFAOYSA-N -1 3 369.816 3.028 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NCc1nc2cc(Cl)ccc2n1C ZINC000826187007 609481740 /nfs/dbraw/zinc/48/17/40/609481740.db2.gz VEMLPMDWMKOVOB-UHFFFAOYSA-N -1 3 369.816 3.028 20 0 FGADHM Cc1ccc2c(c1)[C@@H](NC(=S)Nc1ccccc1-c1nnn[n-]1)[C@H](C)C2 ZINC000826294581 609509322 /nfs/dbraw/zinc/50/93/22/609509322.db2.gz WDVHBYJDWXPIMA-PXAZEXFGSA-N -1 3 364.478 3.395 20 0 FGADHM Cc1ccc2c(c1)[C@@H](NC(=S)Nc1ccccc1-c1nn[n-]n1)[C@H](C)C2 ZINC000826294581 609509324 /nfs/dbraw/zinc/50/93/24/609509324.db2.gz WDVHBYJDWXPIMA-PXAZEXFGSA-N -1 3 364.478 3.395 20 0 FGADHM Cc1cc(-c2nc(C3CCCC3)no2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826242708 609510820 /nfs/dbraw/zinc/51/08/20/609510820.db2.gz BOJQZYYKOJJDCQ-UHFFFAOYSA-N -1 3 362.397 3.068 20 0 FGADHM Cc1cc(-c2nc(C3CCCC3)no2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826242708 609510821 /nfs/dbraw/zinc/51/08/21/609510821.db2.gz BOJQZYYKOJJDCQ-UHFFFAOYSA-N -1 3 362.397 3.068 20 0 FGADHM COc1ccc(OC)c([C@H](C)Nc2ncc(Cl)c(C)c2-c2nnn[n-]2)c1 ZINC000826210971 609523883 /nfs/dbraw/zinc/52/38/83/609523883.db2.gz LECCMTKFSCMCTR-JTQLQIEISA-N -1 3 374.832 3.414 20 0 FGADHM COc1ccc(OC)c([C@H](C)Nc2ncc(Cl)c(C)c2-c2nn[n-]n2)c1 ZINC000826210971 609523885 /nfs/dbraw/zinc/52/38/85/609523885.db2.gz LECCMTKFSCMCTR-JTQLQIEISA-N -1 3 374.832 3.414 20 0 FGADHM Cc1ccnc(NC[C@H](O)c2c(Cl)cccc2Cl)c1-c1nnn[n-]1 ZINC000826312695 609559075 /nfs/dbraw/zinc/55/90/75/609559075.db2.gz LXSTVJYOSHPBCQ-NSHDSACASA-N -1 3 365.224 3.022 20 0 FGADHM Cc1ccnc(NC[C@H](O)c2c(Cl)cccc2Cl)c1-c1nn[n-]n1 ZINC000826312695 609559076 /nfs/dbraw/zinc/55/90/76/609559076.db2.gz LXSTVJYOSHPBCQ-NSHDSACASA-N -1 3 365.224 3.022 20 0 FGADHM CCN(C[C@H](O)c1ccc(C)cc1)c1ncc(Cl)c(C)c1-c1nnn[n-]1 ZINC000825399025 609567970 /nfs/dbraw/zinc/56/79/70/609567970.db2.gz FXIPTSSSQBYLAU-HNNXBMFYSA-N -1 3 372.860 3.092 20 0 FGADHM CCN(C[C@H](O)c1ccc(C)cc1)c1ncc(Cl)c(C)c1-c1nn[n-]n1 ZINC000825399025 609567972 /nfs/dbraw/zinc/56/79/72/609567972.db2.gz FXIPTSSSQBYLAU-HNNXBMFYSA-N -1 3 372.860 3.092 20 0 FGADHM COCCN(C(=O)[C@H]1C[C@H](C)CC(C)(C)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826157319 609589938 /nfs/dbraw/zinc/58/99/38/609589938.db2.gz QUKSJZYSCVJVLZ-HOCLYGCPSA-N -1 3 371.485 3.309 20 0 FGADHM COCCN(C(=O)[C@H]1C[C@H](C)CC(C)(C)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826157319 609589941 /nfs/dbraw/zinc/58/99/41/609589941.db2.gz QUKSJZYSCVJVLZ-HOCLYGCPSA-N -1 3 371.485 3.309 20 0 FGADHM Cc1cn(C2CCCCC2)nc1NC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000826317145 609595314 /nfs/dbraw/zinc/59/53/14/609595314.db2.gz PEEREAISWUDFQT-UHFFFAOYSA-N -1 3 365.441 3.058 20 0 FGADHM Cc1cn(C2CCCCC2)nc1NC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000826317145 609595316 /nfs/dbraw/zinc/59/53/16/609595316.db2.gz PEEREAISWUDFQT-UHFFFAOYSA-N -1 3 365.441 3.058 20 0 FGADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N(C)C[C@@H]1CC=CCC1 ZINC000824207118 609607800 /nfs/dbraw/zinc/60/78/00/609607800.db2.gz PXVZJHVJKIGWMH-QAPCUYQASA-N -1 3 369.469 3.085 20 0 FGADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N(C)C[C@@H]1CC=CCC1 ZINC000824207118 609607802 /nfs/dbraw/zinc/60/78/02/609607802.db2.gz PXVZJHVJKIGWMH-QAPCUYQASA-N -1 3 369.469 3.085 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ncccc1-c1ccccc1 ZINC000826251713 609608241 /nfs/dbraw/zinc/60/82/41/609608241.db2.gz YMJOBUBPYLNORT-UHFFFAOYSA-N -1 3 356.389 3.489 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ncccc1-c1ccccc1 ZINC000826251713 609608243 /nfs/dbraw/zinc/60/82/43/609608243.db2.gz YMJOBUBPYLNORT-UHFFFAOYSA-N -1 3 356.389 3.489 20 0 FGADHM Cc1nc(Cl)ccc1C(=O)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826326215 609613387 /nfs/dbraw/zinc/61/33/87/609613387.db2.gz GPXWLMCPMZTWNX-UHFFFAOYSA-N -1 3 364.192 3.234 20 0 FGADHM Cc1nc(Cl)ccc1C(=O)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826326215 609613388 /nfs/dbraw/zinc/61/33/88/609613388.db2.gz GPXWLMCPMZTWNX-UHFFFAOYSA-N -1 3 364.192 3.234 20 0 FGADHM CSc1ccc(C(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)o1 ZINC000826230446 609617237 /nfs/dbraw/zinc/61/72/37/609617237.db2.gz UIQZHHRITXRXMP-UHFFFAOYSA-N -1 3 350.787 3.192 20 0 FGADHM CSc1ccc(C(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)o1 ZINC000826230446 609617238 /nfs/dbraw/zinc/61/72/38/609617238.db2.gz UIQZHHRITXRXMP-UHFFFAOYSA-N -1 3 350.787 3.192 20 0 FGADHM O=C(C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)OCc1ccccc1 ZINC000006475166 695557738 /nfs/dbraw/zinc/55/77/38/695557738.db2.gz LPCBHCBHCQHJQP-UHFFFAOYSA-N -1 3 374.245 3.015 20 0 FGADHM O=C(COC(=O)c1cc2c(cccc2F)s1)[N-]C(=O)c1cccs1 ZINC000007219219 695565354 /nfs/dbraw/zinc/56/53/54/695565354.db2.gz YQCPNIZQSYOUGI-UHFFFAOYSA-N -1 3 363.391 3.215 20 0 FGADHM CN(Cc1c(F)cccc1Cl)C(=O)COC(=O)c1ccc([O-])cc1 ZINC000011078171 695596534 /nfs/dbraw/zinc/59/65/34/695596534.db2.gz YLPPIZNODNIPPV-UHFFFAOYSA-N -1 3 351.761 3.000 20 0 FGADHM Cc1ccc(NC=C2C(=O)[N-]C(=O)c3ccccc32)c(Br)c1 ZINC000016719529 695631239 /nfs/dbraw/zinc/63/12/39/695631239.db2.gz FVKWJESDKFHBFO-UKTHLTGXSA-N -1 3 357.207 3.481 20 0 FGADHM CN(CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1ccccc1 ZINC000016737572 695631826 /nfs/dbraw/zinc/63/18/26/695631826.db2.gz LZGKZZFFPSQFQG-UHFFFAOYSA-N -1 3 359.278 3.408 20 0 FGADHM [O-]c1ccc(Br)cc1/C=N/C[C@@H](O)COc1ccccc1 ZINC000032069611 695741574 /nfs/dbraw/zinc/74/15/74/695741574.db2.gz JJIFQXQBPSETFD-UHPUNMKFSA-N -1 3 350.212 3.014 20 0 FGADHM Cc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)cc1 ZINC000046114028 695833183 /nfs/dbraw/zinc/83/31/83/695833183.db2.gz KAJKWLIKEJUANC-UHFFFAOYSA-N -1 3 350.415 3.073 20 0 FGADHM O=C(OCc1cccc(Cl)c1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000046333344 695837585 /nfs/dbraw/zinc/83/75/85/695837585.db2.gz HAWBVRQNMBZHDX-MRXNPFEDSA-N -1 3 359.809 3.394 20 0 FGADHM CCNC(=O)c1ccc(C)c([N-]S(=O)(=O)c2c(C)cc(C)cc2C)c1 ZINC000047654876 695864892 /nfs/dbraw/zinc/86/48/92/695864892.db2.gz ZAAHOCQQGRUOBZ-UHFFFAOYSA-N -1 3 360.479 3.471 20 0 FGADHM O=S(=O)([N-]C[C@H]1COc2ccccc2C1)c1ccc(Cl)cc1F ZINC000052537080 695923371 /nfs/dbraw/zinc/92/33/71/695923371.db2.gz MDDVENULTOWAKT-NSHDSACASA-N -1 3 355.818 3.009 20 0 FGADHM COC[C@H]([N-]S(=O)(=O)c1ccc(OC2CCCC2)cc1)c1ccco1 ZINC000080790299 700323162 /nfs/dbraw/zinc/32/31/62/700323162.db2.gz IEQVWCOCUJFSKV-KRWDZBQOSA-N -1 3 365.451 3.267 20 0 FGADHM COc1ccc(C(=O)NC[C@@H](O)c2cc(Cl)cc(Cl)c2)c([O-])c1 ZINC000118518564 700611244 /nfs/dbraw/zinc/61/12/44/700611244.db2.gz OEZNJFJEBAJEFI-OAHLLOKOSA-N -1 3 356.205 3.171 20 0 FGADHM C=C1c2ccccc2C(=O)N1CC(=O)Nc1cc(Br)ccc1[O-] ZINC000126447159 700748473 /nfs/dbraw/zinc/74/84/73/700748473.db2.gz ADHMGHPTWMXBPB-UHFFFAOYSA-N -1 3 373.206 3.220 20 0 FGADHM CCOC(=O)c1ccc(NC(=O)c2c(Cl)nc3ccccn32)c([O-])c1 ZINC000129603429 700789994 /nfs/dbraw/zinc/78/99/94/700789994.db2.gz NUAFCWANCQCUHR-UHFFFAOYSA-N -1 3 359.769 3.122 20 0 FGADHM Cc1cccc([C@H](O)C[N-]S(=O)(=O)c2cccc(Cl)c2Cl)c1 ZINC000134489768 704823348 /nfs/dbraw/zinc/82/33/48/704823348.db2.gz AZZIPVOCIZZKJJ-CYBMUJFWSA-N -1 3 360.262 3.314 20 0 FGADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)[C@@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000135567442 704849105 /nfs/dbraw/zinc/84/91/05/704849105.db2.gz QJQGLSMANAEYHT-HZPDHXFCSA-N -1 3 353.813 3.186 20 0 FGADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)[C@@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000135567442 704849111 /nfs/dbraw/zinc/84/91/11/704849111.db2.gz QJQGLSMANAEYHT-HZPDHXFCSA-N -1 3 353.813 3.186 20 0 FGADHM O=C(Nc1ccc(OCc2ccccc2)c(Br)c1)c1cnn[n-]1 ZINC000150785182 704900557 /nfs/dbraw/zinc/90/05/57/704900557.db2.gz AFNIVVNWJFADHW-UHFFFAOYSA-N -1 3 373.210 3.399 20 0 FGADHM O=C(Nc1ccc(OCc2ccccc2)c(Br)c1)c1c[n-]nn1 ZINC000150785182 704900559 /nfs/dbraw/zinc/90/05/59/704900559.db2.gz AFNIVVNWJFADHW-UHFFFAOYSA-N -1 3 373.210 3.399 20 0 FGADHM O=C(Nc1ccc(OCc2ccccc2)c(Br)c1)c1cn[n-]n1 ZINC000150785182 704900561 /nfs/dbraw/zinc/90/05/61/704900561.db2.gz AFNIVVNWJFADHW-UHFFFAOYSA-N -1 3 373.210 3.399 20 0 FGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2C[C@H](C)CCC[C@H]2C)ccc1F ZINC000150837943 704902836 /nfs/dbraw/zinc/90/28/36/704902836.db2.gz KAXZQUBXAHVGRX-ZIAGYGMSSA-N -1 3 370.490 3.163 20 0 FGADHM COC[C@H]([N-]S(=O)(=O)Cc1cc(Cl)cc(Cl)c1)c1ccco1 ZINC000151618012 704930577 /nfs/dbraw/zinc/93/05/77/704930577.db2.gz FYMJHISXNPPGQX-ZDUSSCGKSA-N -1 3 364.250 3.394 20 0 FGADHM Cc1[nH]c2ccc(Br)cc2c1CC(=O)[N-]OCc1cccnc1 ZINC000152307747 704958644 /nfs/dbraw/zinc/95/86/44/704958644.db2.gz AQSOVHABUWNDSP-UHFFFAOYSA-N -1 3 374.238 3.424 20 0 FGADHM CCC[C@H]1CCCN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)C1 ZINC000155232483 705069218 /nfs/dbraw/zinc/06/92/18/705069218.db2.gz CXNOMOBCVBBPOH-AWEZNQCLSA-N -1 3 370.490 3.165 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccc(Cl)nc3Cl)nc21 ZINC000156419141 705115376 /nfs/dbraw/zinc/11/53/76/705115376.db2.gz XFFJJFXYKBIYQW-UHFFFAOYSA-N -1 3 365.176 3.304 20 0 FGADHM C[C@H](COc1ccccc1)C(=O)N[N-]C(=O)c1ccc(Cl)cc1Cl ZINC000158138979 705174462 /nfs/dbraw/zinc/17/44/62/705174462.db2.gz SCPNZTQJPNLNAZ-LLVKDONJSA-N -1 3 367.232 3.470 20 0 FGADHM Cc1cc(S(=O)(=O)[N-][C@H](C)C[C@@H](O)c2cccs2)c(F)cc1F ZINC000158173964 705176015 /nfs/dbraw/zinc/17/60/15/705176015.db2.gz RDOCURUEURKDCE-ZWNOBZJWSA-N -1 3 361.435 3.125 20 0 FGADHM Cc1ccc([C@@H](O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC000159397689 705222381 /nfs/dbraw/zinc/22/23/81/705222381.db2.gz KGVITJOTYKTSGV-AWEZNQCLSA-N -1 3 360.262 3.314 20 0 FGADHM C[C@H](C[C@@H](O)c1ccccc1)[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000163816463 705319817 /nfs/dbraw/zinc/31/98/17/705319817.db2.gz UMRGLHUAOJRBIY-IAQYHMDHSA-N -1 3 357.834 3.270 20 0 FGADHM COc1ccc(CC(=O)[N-]OCc2ccc(F)cc2Br)cc1 ZINC000171918740 705401249 /nfs/dbraw/zinc/40/12/49/705401249.db2.gz TVRIABOKCLOXFM-UHFFFAOYSA-N -1 3 368.202 3.387 20 0 FGADHM Cc1cnc(C(C)(C)[N-]S(=O)(=O)c2ccc(Cl)nc2Cl)s1 ZINC000175887292 705563477 /nfs/dbraw/zinc/56/34/77/705563477.db2.gz VSSOVEITEBFRRH-UHFFFAOYSA-N -1 3 366.295 3.367 20 0 FGADHM CSc1ccc(NC(=O)[C@@H](C)O[N-]C(=O)Cc2ccc(C)cc2)cc1 ZINC000178162796 705656739 /nfs/dbraw/zinc/65/67/39/705656739.db2.gz ZWOWLPBTKIPRGI-CQSZACIVSA-N -1 3 358.463 3.334 20 0 FGADHM CSc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C)CCO3)cc1 ZINC000178197886 705658014 /nfs/dbraw/zinc/65/80/14/705658014.db2.gz RUTIEKCNXGMISS-UHFFFAOYSA-N -1 3 350.465 3.038 20 0 FGADHM CS(=O)(=O)Nc1ccc(/C=C/C(=O)Nc2cc(Cl)ccc2[O-])cc1 ZINC000179459149 705702680 /nfs/dbraw/zinc/70/26/80/705702680.db2.gz JPHDTCVXRWMMKJ-RUDMXATFSA-N -1 3 366.826 3.069 20 0 FGADHM Cc1cc(C(=O)NN=c2cccn[n-]2)nn1-c1ccc(Cl)cc1Cl ZINC000180568155 705748359 /nfs/dbraw/zinc/74/83/59/705748359.db2.gz QQTQOXPHGRCRBK-UHFFFAOYSA-N -1 3 363.208 3.034 20 0 FGADHM C[C@](O)(CC(=O)NCc1ccc([O-])c(Br)c1)c1ccccc1 ZINC000182838855 705864590 /nfs/dbraw/zinc/86/45/90/705864590.db2.gz YGTIKMGSNBASSI-KRWDZBQOSA-N -1 3 364.239 3.069 20 0 FGADHM O=C(NN=c1cccn[n-]1)[C@H](Oc1ccc(Cl)cc1)c1ccccc1 ZINC000184787613 712676375 /nfs/dbraw/zinc/67/63/75/712676375.db2.gz QHIZATQYKHRVKV-QGZVFWFLSA-N -1 3 354.797 3.393 20 0 FGADHM COc1cc(C)c(Br)cc1NC([O-])=NO[C@H]1CCCCO1 ZINC000185687906 712700179 /nfs/dbraw/zinc/70/01/79/712700179.db2.gz GNGSGTLZCCETPW-ZDUSSCGKSA-N -1 3 359.220 3.346 20 0 FGADHM COc1cc(C)c(Br)cc1NC(=O)[N-]O[C@H]1CCCCO1 ZINC000185687906 712700181 /nfs/dbraw/zinc/70/01/81/712700181.db2.gz GNGSGTLZCCETPW-ZDUSSCGKSA-N -1 3 359.220 3.346 20 0 FGADHM Cc1cc(C(=O)N[N-]C(=O)c2ccc(Br)cc2Cl)co1 ZINC000186626914 712723724 /nfs/dbraw/zinc/72/37/24/712723724.db2.gz UALGPFXRGNHXCU-UHFFFAOYSA-N -1 3 357.591 3.079 20 0 FGADHM Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)C1=Cc2ccccc2OCC1 ZINC000186902269 712728205 /nfs/dbraw/zinc/72/82/05/712728205.db2.gz IRYVDZJJNDBKFQ-UHFFFAOYSA-N -1 3 360.391 3.469 20 0 FGADHM CCCCS(=O)(=O)c1ccc(C(=O)Nc2cccc([O-])c2F)cc1 ZINC000192440861 712862513 /nfs/dbraw/zinc/86/25/13/712862513.db2.gz NTOLRKKAQDEEDD-UHFFFAOYSA-N -1 3 351.399 3.357 20 0 FGADHM O=C([N-]c1nnc(Cc2ccc(Cl)cc2)s1)c1cnc(Cl)cn1 ZINC000192939985 712878170 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/nfs/dbraw/zinc/34/94/92/724349492.db2.gz JCJRWXRKIMEARJ-AWEZNQCLSA-N -1 3 352.287 3.403 20 0 FGADHM Cc1ccc(Br)cc1CNC(=O)c1nnc2ccccc2c1[O-] ZINC000784615908 724868204 /nfs/dbraw/zinc/86/82/04/724868204.db2.gz XZOQPEDSIRABKX-UHFFFAOYSA-N -1 3 372.222 3.336 20 0 FGADHM Cn1ncc(C(=O)[N-]c2cc(C(F)(F)F)ccc2SCC(F)F)n1 ZINC000786221429 724968181 /nfs/dbraw/zinc/96/81/81/724968181.db2.gz AYOQIGMNYYBMCG-UHFFFAOYSA-N -1 3 366.315 3.443 20 0 FGADHM O=S(=O)([N-][C@H]1CCCc2ccc(F)cc21)c1cnc(Cl)c(F)c1 ZINC000805084149 725048792 /nfs/dbraw/zinc/04/87/92/725048792.db2.gz HETAXQIFECSYOP-AWEZNQCLSA-N -1 3 358.797 3.369 20 0 FGADHM O=C(NCc1cccnc1-n1ccnc1)c1cc2sccc2c([O-])c1 ZINC000788274929 725054131 /nfs/dbraw/zinc/05/41/31/725054131.db2.gz CLGPGTNPODOVRU-UHFFFAOYSA-N -1 3 350.403 3.118 20 0 FGADHM CN(C)C(=O)Cc1ccc(NC(=O)c2cc3sccc3c([O-])c2)cc1 ZINC000788284239 725055073 /nfs/dbraw/zinc/05/50/73/725055073.db2.gz VWEXXOQCKQSUOV-UHFFFAOYSA-N -1 3 354.431 3.490 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1csc(-c2ccccc2)n1)[C@@H](O)c1ccccc1 ZINC000808338795 725195376 /nfs/dbraw/zinc/19/53/76/725195376.db2.gz MPXPTZKWGHJZGW-CXAGYDPISA-N -1 3 374.487 3.211 20 0 FGADHM COc1cccc2c(C(=O)OCC(=O)Nc3cccc(Cl)c3)n[n-]c21 ZINC000808676056 725213090 /nfs/dbraw/zinc/21/30/90/725213090.db2.gz BMPHFJWKDKZVMU-UHFFFAOYSA-N -1 3 359.769 3.020 20 0 FGADHM COc1cccc2c1n[n-]c2C(=O)OCC(=O)Nc1cccc(Cl)c1 ZINC000808676056 725213093 /nfs/dbraw/zinc/21/30/93/725213093.db2.gz BMPHFJWKDKZVMU-UHFFFAOYSA-N -1 3 359.769 3.020 20 0 FGADHM C[C@H](c1cc(F)ccc1F)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000810067364 725285927 /nfs/dbraw/zinc/28/59/27/725285927.db2.gz UTKCLSSHLNNVQZ-GHMZBOCLSA-N -1 3 350.331 3.416 20 0 FGADHM C[C@H](OC(=O)c1cc2cc(Cl)sc2[n-]1)C(=O)NCC(F)(F)F ZINC000811394553 725361337 /nfs/dbraw/zinc/36/13/37/725361337.db2.gz UXXZXLFKKRCMBL-YFKPBYRVSA-N -1 3 354.737 3.107 20 0 FGADHM COC(=O)C(C)(C)C(=O)[C@@H](C)OC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000811394347 725361422 /nfs/dbraw/zinc/36/14/22/725361422.db2.gz BHPNEBSAHKMDFF-SSDOTTSWSA-N -1 3 357.815 3.196 20 0 FGADHM O=C([N-]C[C@H]1CCCN(C/C=C\c2ccc(F)cc2F)C1)C(F)(F)F ZINC000811514187 725371790 /nfs/dbraw/zinc/37/17/90/725371790.db2.gz DSDVLQDEQGUQRL-DTRQGZQOSA-N -1 3 362.342 3.369 20 0 FGADHM O=C([N-][C@H]1COc2ccccc2[C@H]1O)C(F)(F)c1cccc(Cl)c1 ZINC000811577715 725373948 /nfs/dbraw/zinc/37/39/48/725373948.db2.gz CWHCIIPFJLRWCO-DZGCQCFKSA-N -1 3 353.752 3.043 20 0 FGADHM CCCC[C@@H](CC)CNC(=S)Nc1cc2c(cc1[O-])n(C)c(=O)n2C ZINC000811721165 725378253 /nfs/dbraw/zinc/37/82/53/725378253.db2.gz RHPHUBYYXIXNJO-GFCCVEGCSA-N -1 3 364.515 3.085 20 0 FGADHM O=C([N-]C[C@@H]1CCCN(C(=O)NC2CCCCCCC2)C1)C(F)(F)F ZINC000811852450 725382992 /nfs/dbraw/zinc/38/29/92/725382992.db2.gz PRCCXKLWMMVGNP-ZDUSSCGKSA-N -1 3 363.424 3.199 20 0 FGADHM CCCC[C@H](CC)CNC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000811855356 725383134 /nfs/dbraw/zinc/38/31/34/725383134.db2.gz ZQEKGHSKYTZCBX-KBPBESRZSA-N -1 3 365.440 3.303 20 0 FGADHM C[C@@H](CCCC(F)(F)F)[N-]S(=O)(=O)c1ccc(Cl)c2nonc21 ZINC000814391133 726961291 /nfs/dbraw/zinc/96/12/91/726961291.db2.gz UBFRKQYEEJIJPU-ZETCQYMHSA-N -1 3 371.768 3.276 20 0 FGADHM Cn1cc(Br)c(COC(=O)CCCc2ccc([O-])c(F)c2)n1 ZINC000814465982 726971321 /nfs/dbraw/zinc/97/13/21/726971321.db2.gz HSNYRVDPDOYEQW-UHFFFAOYSA-N -1 3 371.206 3.093 20 0 FGADHM COC(=O)c1cc(C(=O)OCCOc2c(Cl)cccc2Cl)c[n-]1 ZINC000814533210 726978625 /nfs/dbraw/zinc/97/86/25/726978625.db2.gz QJDHEOCHWLLVGC-UHFFFAOYSA-N -1 3 358.177 3.344 20 0 FGADHM COC(=O)c1cc(C(=O)O[C@@H](C)c2ccc(Br)cc2)c[n-]1 ZINC000814532565 726978678 /nfs/dbraw/zinc/97/86/78/726978678.db2.gz YHMIYIDWPAPEQK-VIFPVBQESA-N -1 3 352.184 3.482 20 0 FGADHM CC(C)(C)OC(=O)N1C[C@H]2[C@H](C(=O)Nc3ccc(Cl)cc3[O-])[C@H]2C1 ZINC000815877471 727103515 /nfs/dbraw/zinc/10/35/15/727103515.db2.gz SDSRWJIKMGPAKG-YABSGUDNSA-N -1 3 352.818 3.097 20 0 FGADHM O=C(NCc1cnc(Br)cn1)c1cc([O-])c2ccccc2c1 ZINC000816530007 727172355 /nfs/dbraw/zinc/17/23/55/727172355.db2.gz PUOQZXAMBFKWNO-UHFFFAOYSA-N -1 3 358.195 3.028 20 0 FGADHM O=C(CN1C(=S)N=NC1c1cccs1)Nc1c([O-])cccc1Cl ZINC000816768924 727193622 /nfs/dbraw/zinc/19/36/22/727193622.db2.gz NHDFZGJJTGSJMS-UHFFFAOYSA-N -1 3 366.855 3.293 20 0 FGADHM C[C@@H](NC(=O)c1cc([O-])cc(C(F)(F)F)c1)[C@@H](O)c1ccc(F)cc1 ZINC000816957556 727210281 /nfs/dbraw/zinc/21/02/81/727210281.db2.gz QLZBPEWXKJVOIV-RFAUZJTJSA-N -1 3 357.303 3.402 20 0 FGADHM C[C@@H]([N-]C(=O)C(F)(F)c1ccccc1)c1ncc(Br)cn1 ZINC000817271358 727234516 /nfs/dbraw/zinc/23/45/16/727234516.db2.gz AGJHRDHWQHRUGT-SECBINFHSA-N -1 3 356.170 3.208 20 0 FGADHM O=C([N-]C[C@H]1Cc2ccccc2N1CCCCCCCO)C(F)(F)F ZINC000817295215 727237713 /nfs/dbraw/zinc/23/77/13/727237713.db2.gz WCMGOHZFLPLXMT-OAHLLOKOSA-N -1 3 358.404 3.039 20 0 FGADHM O=C(CC1(CC(=O)Nc2nccs2)CCCCC1)[N-]OCC1CC1 ZINC000817334417 727240568 /nfs/dbraw/zinc/24/05/68/727240568.db2.gz JMNDWHGGDDARMY-UHFFFAOYSA-N -1 3 351.472 3.270 20 0 FGADHM CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1cccc(SC(=O)N(C)C)c1 ZINC000817351634 727241961 /nfs/dbraw/zinc/24/19/61/727241961.db2.gz KXMDSWZCVIAINT-CQSZACIVSA-N -1 3 374.528 3.263 20 0 FGADHM O=C([N-]C1(CF)CCOCC1)C(F)(F)c1cccc(Br)c1 ZINC000821204106 729068184 /nfs/dbraw/zinc/06/81/84/729068184.db2.gz HINZAQJCEDJSAW-UHFFFAOYSA-N -1 3 366.177 3.176 20 0 FGADHM CCOC(=O)c1csc([N-]C(=O)c2nc(Cl)sc2Cl)n1 ZINC000821670829 729105674 /nfs/dbraw/zinc/10/56/74/729105674.db2.gz UBKRJTQCRLJZFF-UHFFFAOYSA-N -1 3 352.224 3.335 20 0 FGADHM C[C@@]1(CCOC(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)C[C@@]1(F)Cl ZINC000822049140 729141833 /nfs/dbraw/zinc/14/18/33/729141833.db2.gz NKMYXRYBUIVFTB-KGLIPLIRSA-N -1 3 367.801 3.059 20 0 FGADHM CC1(CC(F)(F)F)CN(C(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)C1 ZINC000822160471 729151422 /nfs/dbraw/zinc/15/14/22/729151422.db2.gz SOWIXHWYMYHZHL-UHFFFAOYSA-N -1 3 360.282 3.221 20 0 FGADHM CSc1ccc([O-])c(C(=O)N2CCCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000822961326 729237819 /nfs/dbraw/zinc/23/78/19/729237819.db2.gz HLQAOGZGZCPBPO-UHFFFAOYSA-N -1 3 366.483 3.197 20 0 FGADHM Cc1cc(C(F)(F)C(=O)[N-]C(C)(C)c2cn(C(C)C)nn2)cnc1Cl ZINC000823165230 729257815 /nfs/dbraw/zinc/25/78/15/729257815.db2.gz POQJWGRSZYRNCZ-UHFFFAOYSA-N -1 3 371.819 3.359 20 0 FGADHM Brc1ccc(NCCNc2ccccc2)c(-c2nnn[n-]2)c1 ZINC000823832334 729307476 /nfs/dbraw/zinc/30/74/76/729307476.db2.gz MPGXLWFCOUQPKS-UHFFFAOYSA-N -1 3 359.231 3.153 20 0 FGADHM Brc1ccc(NCCNc2ccccc2)c(-c2nn[n-]n2)c1 ZINC000823832334 729307477 /nfs/dbraw/zinc/30/74/77/729307477.db2.gz MPGXLWFCOUQPKS-UHFFFAOYSA-N -1 3 359.231 3.153 20 0 FGADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)C=Cc2cnc(C(C)(C)C)s2)n1 ZINC000824154795 729321868 /nfs/dbraw/zinc/32/18/68/729321868.db2.gz RQMVLEZARBWVDL-BQYQJAHWSA-N -1 3 360.483 3.309 20 0 FGADHM CC(C)CNC(=O)[C@@H](C)Sc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000824266801 729327637 /nfs/dbraw/zinc/32/76/37/729327637.db2.gz QLGKQAWAXJUAGC-SECBINFHSA-N -1 3 373.404 3.138 20 0 FGADHM CC(C)CNC(=O)[C@@H](C)Sc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000824266801 729327639 /nfs/dbraw/zinc/32/76/39/729327639.db2.gz QLGKQAWAXJUAGC-SECBINFHSA-N -1 3 373.404 3.138 20 0 FGADHM C[C@@H]1C[C@H](CCNc2ccc(Br)cc2-c2nnn[n-]2)CCO1 ZINC000824883666 729363584 /nfs/dbraw/zinc/36/35/84/729363584.db2.gz INDMNTJCFYLDFY-GHMZBOCLSA-N -1 3 366.263 3.246 20 0 FGADHM C[C@@H]1C[C@H](CCNc2ccc(Br)cc2-c2nn[n-]n2)CCO1 ZINC000824883666 729363585 /nfs/dbraw/zinc/36/35/85/729363585.db2.gz INDMNTJCFYLDFY-GHMZBOCLSA-N -1 3 366.263 3.246 20 0 FGADHM CC(C)(C)OC(=O)N1C[C@@H]2CCN(Cc3c(F)ccc([O-])c3F)[C@@H]2C1 ZINC000825294237 729377464 /nfs/dbraw/zinc/37/74/64/729377464.db2.gz LGXWDGUUZMJLDA-SMDDNHRTSA-N -1 3 354.397 3.112 20 0 FGADHM CCOCCC1(CNc2ncc(Cl)c(C)c2-c2nnn[n-]2)CCC1 ZINC000825590234 729388731 /nfs/dbraw/zinc/38/87/31/729388731.db2.gz QTGVVKSNSGVPEE-UHFFFAOYSA-N -1 3 350.854 3.232 20 0 FGADHM CCOCCC1(CNc2ncc(Cl)c(C)c2-c2nn[n-]n2)CCC1 ZINC000825590234 729388734 /nfs/dbraw/zinc/38/87/34/729388734.db2.gz QTGVVKSNSGVPEE-UHFFFAOYSA-N -1 3 350.854 3.232 20 0 FGADHM 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/nfs/dbraw/zinc/40/74/72/729407472.db2.gz APNUZIHKZCJXSG-ZDUSSCGKSA-N -1 3 355.829 3.425 20 0 FGADHM Fc1ccc(CN[C@@H](c2cccc(-c3nnn[n-]3)c2)C(F)(F)F)cc1 ZINC000826374546 729407634 /nfs/dbraw/zinc/40/76/34/729407634.db2.gz DCBWMGQZPDFGPJ-AWEZNQCLSA-N -1 3 351.307 3.399 20 0 FGADHM Fc1ccc(CN[C@@H](c2cccc(-c3nn[n-]n3)c2)C(F)(F)F)cc1 ZINC000826374546 729407635 /nfs/dbraw/zinc/40/76/35/729407635.db2.gz DCBWMGQZPDFGPJ-AWEZNQCLSA-N -1 3 351.307 3.399 20 0 FGADHM O=C(N[C@H]1CCSc2ccc(Cl)cc21)c1cccc(-c2nnn[n-]2)c1 ZINC000826431733 729407983 /nfs/dbraw/zinc/40/79/83/729407983.db2.gz IYNSGMXWBGOALU-AWEZNQCLSA-N -1 3 371.853 3.487 20 0 FGADHM O=C(N[C@H]1CCSc2ccc(Cl)cc21)c1cccc(-c2nn[n-]n2)c1 ZINC000826431733 729407984 /nfs/dbraw/zinc/40/79/84/729407984.db2.gz IYNSGMXWBGOALU-AWEZNQCLSA-N -1 3 371.853 3.487 20 0 FGADHM O=C(Nc1cnc2c(c1)CCCC2)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826459373 729408062 /nfs/dbraw/zinc/40/80/62/729408062.db2.gz HJZGEBUWHIDFQK-UHFFFAOYSA-N -1 3 354.801 3.046 20 0 FGADHM O=C(Nc1cnc2c(c1)CCCC2)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826459373 729408063 /nfs/dbraw/zinc/40/80/63/729408063.db2.gz HJZGEBUWHIDFQK-UHFFFAOYSA-N -1 3 354.801 3.046 20 0 FGADHM CSc1ccc([O-])c(C(=O)N(C)[C@@H](C)CNC(=O)OC(C)(C)C)c1 ZINC000827204608 729426919 /nfs/dbraw/zinc/42/69/19/729426919.db2.gz ZLLQSUMUERGRKK-NSHDSACASA-N -1 3 354.472 3.099 20 0 FGADHM CC(C)Cc1ncc(C(=O)[N-]c2nc(C3CCOCC3)ns2)s1 ZINC000827516766 729431151 /nfs/dbraw/zinc/43/11/51/729431151.db2.gz PEYNNYJJPIVMLH-UHFFFAOYSA-N -1 3 352.485 3.339 20 0 FGADHM COc1ccc(F)cc1S(=O)(=O)[N-]CC[C@]1(C)CC1(Cl)Cl ZINC000827666073 729433091 /nfs/dbraw/zinc/43/30/91/729433091.db2.gz IYUPAQCWSSQRRC-GFCCVEGCSA-N -1 3 356.246 3.087 20 0 FGADHM CCOc1cc([N-]S(=O)(=O)c2ccc(OC3CC3)cc2)ccc1OC ZINC000829728670 729507568 /nfs/dbraw/zinc/50/75/68/729507568.db2.gz RCVFKVHUYGYAMZ-UHFFFAOYSA-N -1 3 363.435 3.436 20 0 FGADHM CC[C@@H](CC(=O)N1CC(C[N-]C(=O)C(F)(F)F)C1)c1ccc(C)cc1 ZINC000831144065 729621276 /nfs/dbraw/zinc/62/12/76/729621276.db2.gz 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Cc1nc(CN2CCC(CNC(=O)c3ccc(C)c(C)c3[O-])CC2)oc1C ZINC000111659278 495092818 /nfs/dbraw/zinc/09/28/18/495092818.db2.gz HJKHUTNRECPTGL-UHFFFAOYSA-N -1 3 371.481 3.256 20 0 FGADHM CCOC(=O)Cc1nnc([N-]C(=O)c2cc(Cl)ccc2Cl)s1 ZINC000128417019 495093471 /nfs/dbraw/zinc/09/34/71/495093471.db2.gz BAGCZBRYKAAZEJ-UHFFFAOYSA-N -1 3 360.222 3.203 20 0 FGADHM COc1ccc(C(=O)CC(C)(C)Cc2nc(-c3cc(=O)[n-]cn3)no2)cc1 ZINC000580444517 505760763 /nfs/dbraw/zinc/76/07/63/505760763.db2.gz MJKZTNDIICQWFP-UHFFFAOYSA-N -1 3 368.393 3.083 20 0 FGADHM COc1cc(C(=O)NCCc2c[nH]c3cccc(C)c23)cc(OC)c1[O-] ZINC000134150580 495113406 /nfs/dbraw/zinc/11/34/06/495113406.db2.gz YDQBCDWIAZARTK-UHFFFAOYSA-N -1 3 354.406 3.172 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc([C@H](C)N3CCOCC3)cc2)cc1C ZINC000111994951 495135079 /nfs/dbraw/zinc/13/50/79/495135079.db2.gz VFGBINYLMIQDIJ-KRWDZBQOSA-N -1 3 374.506 3.497 20 0 FGADHM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc([C@H](C)N3CCOCC3)cc2)c1 ZINC000111994853 495135161 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/nfs/dbraw/zinc/68/86/69/495688669.db2.gz WTGAQJPAVADATE-UHFFFAOYSA-N -1 3 359.542 3.035 20 0 FGADHM Cc1ccc(CNC(=O)NCc2ccc([O-])c(F)c2)c(O[C@@H]2CCOC2)c1 ZINC000150941611 495689096 /nfs/dbraw/zinc/68/90/96/495689096.db2.gz AFDRHZIDIFANNY-MRXNPFEDSA-N -1 3 374.412 3.007 20 0 FGADHM COc1ccccc1O[C@H](C)C[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000173779378 495689125 /nfs/dbraw/zinc/68/91/25/495689125.db2.gz SQPRYNMBGSQEAW-LLVKDONJSA-N -1 3 373.833 3.234 20 0 FGADHM COc1cccc(-c2cc(NC(=O)c3cc(-c4ccco4)[n-]n3)n(C)n2)c1 ZINC000154666952 495689479 /nfs/dbraw/zinc/68/94/79/495689479.db2.gz CVQKOADESLPXLL-UHFFFAOYSA-N -1 3 363.377 3.331 20 0 FGADHM COc1cccc(-c2cc(NC(=O)c3cc(-c4ccco4)n[n-]3)n(C)n2)c1 ZINC000154666952 495689483 /nfs/dbraw/zinc/68/94/83/495689483.db2.gz CVQKOADESLPXLL-UHFFFAOYSA-N -1 3 363.377 3.331 20 0 FGADHM CC1C[C@@H](C(=O)Nc2ccccc2O)[C@@H](C(=O)Nc2ccccc2[O-])C1 ZINC000185732097 495700666 /nfs/dbraw/zinc/70/06/66/495700666.db2.gz GYECIHDZCFRYBL-AGUYFDCRSA-N -1 3 354.406 3.337 20 0 FGADHM CC1C[C@@H](C(=O)Nc2ccccc2[O-])[C@@H](C(=O)Nc2ccccc2O)C1 ZINC000185732097 495700672 /nfs/dbraw/zinc/70/06/72/495700672.db2.gz GYECIHDZCFRYBL-AGUYFDCRSA-N -1 3 354.406 3.337 20 0 FGADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N3CCC(C)(C)C3)nc(=O)c2c1C ZINC000173813171 495703851 /nfs/dbraw/zinc/70/38/51/495703851.db2.gz JTAXDXJYBIWISR-LLVKDONJSA-N -1 3 363.483 3.263 20 0 FGADHM CC(C)[C@H]([N-]S(=O)(=O)C[C@@H](C)c1ccccc1)c1nc(C2CC2)no1 ZINC000150997154 495706674 /nfs/dbraw/zinc/70/66/74/495706674.db2.gz XHSOUXAUAHNSGR-CJNGLKHVSA-N -1 3 363.483 3.367 20 0 FGADHM COc1cc(Cl)c(S(=O)(=O)[N-]CC(C)(C)C[C@@H](C)O)cc1Cl ZINC000182812318 495712532 /nfs/dbraw/zinc/71/25/32/495712532.db2.gz DAHDMBXSUHJGOS-SECBINFHSA-N -1 3 370.298 3.077 20 0 FGADHM C[S@@](=O)C[C@@H](NC(=O)c1ccc2c(c1[O-])CCCC2)c1ccccc1 ZINC000182870411 495735433 /nfs/dbraw/zinc/73/54/33/495735433.db2.gz YKSVBUFDYXCKRJ-IQGLISFBSA-N -1 3 357.475 3.121 20 0 FGADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCc1ccco1 ZINC000182869042 495735483 /nfs/dbraw/zinc/73/54/83/495735483.db2.gz PJMGKXOFSAENIE-LJQANCHMSA-N -1 3 364.401 3.163 20 0 FGADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCc1ccco1 ZINC000182869060 495735510 /nfs/dbraw/zinc/73/55/10/495735510.db2.gz PJMGKXOFSAENIE-IBGZPJMESA-N -1 3 364.401 3.163 20 0 FGADHM CC[C@@H](C)C[C@H](C)NC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000182876019 495737860 /nfs/dbraw/zinc/73/78/60/495737860.db2.gz JKRBGNQMVMMGHZ-NEPJUHHUSA-N -1 3 359.426 3.495 20 0 FGADHM O=C(c1ccnc(OCC(F)(F)F)c1)N1CCCc2cccc([O-])c21 ZINC000182906405 495751842 /nfs/dbraw/zinc/75/18/42/495751842.db2.gz SPBGNMWFPINOBS-UHFFFAOYSA-N -1 3 352.312 3.321 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2[C@H](C)CCC[C@@H]2C)c1 ZINC000185864826 495755139 /nfs/dbraw/zinc/75/51/39/495755139.db2.gz FEPUXJHFWFPWJF-TXEJJXNPSA-N -1 3 357.410 3.344 20 0 FGADHM Cc1nn(C)c2ncc(S(=O)(=O)[N-]c3cc(F)c(F)cc3Cl)cc12 ZINC000176725219 495763811 /nfs/dbraw/zinc/76/38/11/495763811.db2.gz OSBWNSZUNXXUCU-UHFFFAOYSA-N -1 3 372.784 3.009 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2Cl)cc1OC ZINC000176726057 495764405 /nfs/dbraw/zinc/76/44/05/495764405.db2.gz UEWAUJXTLXHDDM-UHFFFAOYSA-N -1 3 363.769 3.436 20 0 FGADHM O=S(=O)([N-]Cc1nccn1C(F)F)c1ccc(Cl)c(Cl)c1 ZINC000173963456 495766141 /nfs/dbraw/zinc/76/61/41/495766141.db2.gz CXBZAYKWOFOWHO-UHFFFAOYSA-N -1 3 356.181 3.064 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2C[C@H](C)CC[C@@H]2C)c1 ZINC000182939203 495766603 /nfs/dbraw/zinc/76/66/03/495766603.db2.gz ZDCIAKQMBQBYFV-NEPJUHHUSA-N -1 3 357.410 3.202 20 0 FGADHM CC(C)(C)[S@@](=O)Cc1cccc(NC([O-])=NOCc2cccnc2)c1 ZINC000182983962 495785207 /nfs/dbraw/zinc/78/52/07/495785207.db2.gz GKYYMWBQSLXEQQ-VWLOTQADSA-N -1 3 361.467 3.382 20 0 FGADHM CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)[N-]OCc2cccnc2)c1 ZINC000182983962 495785211 /nfs/dbraw/zinc/78/52/11/495785211.db2.gz GKYYMWBQSLXEQQ-VWLOTQADSA-N -1 3 361.467 3.382 20 0 FGADHM COc1nnc(NC(=O)CCSc2ccnc3cc(Cl)ccc32)[n-]1 ZINC000182989322 495787609 /nfs/dbraw/zinc/78/76/09/495787609.db2.gz RBFUMZHAYPWWPN-UHFFFAOYSA-N -1 3 363.830 3.136 20 0 FGADHM COc1nc(NC(=O)CCSc2ccnc3cc(Cl)ccc32)n[n-]1 ZINC000182989322 495787613 /nfs/dbraw/zinc/78/76/13/495787613.db2.gz RBFUMZHAYPWWPN-UHFFFAOYSA-N -1 3 363.830 3.136 20 0 FGADHM COc1n[n-]c(NC(=O)CCSc2ccnc3cc(Cl)ccc32)n1 ZINC000182989322 495787618 /nfs/dbraw/zinc/78/76/18/495787618.db2.gz RBFUMZHAYPWWPN-UHFFFAOYSA-N -1 3 363.830 3.136 20 0 FGADHM CC(C)[C@@H](O)C(C)(C)C[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000154992691 495796393 /nfs/dbraw/zinc/79/63/93/495796393.db2.gz RNELDOMOIYYAHD-CYBMUJFWSA-N -1 3 353.406 3.027 20 0 FGADHM Cc1nc(C)c(S(=O)(=O)[N-]CCCc2nc3c(s2)CCCC3)s1 ZINC000176886874 495826909 /nfs/dbraw/zinc/82/69/09/495826909.db2.gz CNZNONIHBCEIRL-UHFFFAOYSA-N -1 3 371.553 3.006 20 0 FGADHM CC(=O)c1csc(C(=O)[N-]c2ncn(Cc3ccc(Cl)cc3)n2)c1 ZINC000176961986 495859834 /nfs/dbraw/zinc/85/98/34/495859834.db2.gz ASUXRCXNDHSZSR-UHFFFAOYSA-N -1 3 360.826 3.496 20 0 FGADHM COc1ccccc1CCC(=O)NCc1ccc([O-])c(Br)c1 ZINC000151532696 495870438 /nfs/dbraw/zinc/87/04/38/495870438.db2.gz CJZWNRKUTZUNIP-UHFFFAOYSA-N -1 3 364.239 3.412 20 0 FGADHM COc1ccc(C(=O)NCc2ccc([O-])c(Br)c2)c(C)c1 ZINC000151550887 495875569 /nfs/dbraw/zinc/87/55/69/495875569.db2.gz XKAYYMGVLDHANI-UHFFFAOYSA-N -1 3 350.212 3.402 20 0 FGADHM Cn1nc(C(C)(C)C)cc1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000151550987 495875622 /nfs/dbraw/zinc/87/56/22/495875622.db2.gz XAYCMDVFRCXPGU-UHFFFAOYSA-N -1 3 366.259 3.116 20 0 FGADHM O=C(Nc1ccc(Cl)cn1)C1CCN(Cc2cc([O-])cc(F)c2)CC1 ZINC000186189243 495889018 /nfs/dbraw/zinc/88/90/18/495889018.db2.gz UMWKTLRNXWWSQO-UHFFFAOYSA-N -1 3 363.820 3.430 20 0 FGADHM COc1ccc(C(=O)NCc2ccc([O-])c(Br)c2)cc1F ZINC000151603827 495891285 /nfs/dbraw/zinc/89/12/85/495891285.db2.gz ZSMYYHNQWVPQKL-UHFFFAOYSA-N -1 3 354.175 3.232 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCCCO1)C1CC1 ZINC000186257183 495917099 /nfs/dbraw/zinc/91/70/99/495917099.db2.gz BYZJGJMNDULYFM-SWLSCSKDSA-N -1 3 373.902 3.365 20 0 FGADHM CC(=O)N[C@@H](CC(=O)N1CC[C@@H](C)c2cccc([O-])c21)c1ccccc1 ZINC000186264738 495919158 /nfs/dbraw/zinc/91/91/58/495919158.db2.gz QGXRNPVIJGMYMQ-KDOFPFPSSA-N -1 3 352.434 3.500 20 0 FGADHM CCS(=O)(=O)c1cccc(C(=O)N2CC[C@@H](C)c3cccc([O-])c32)c1 ZINC000186309552 495941785 /nfs/dbraw/zinc/94/17/85/495941785.db2.gz LRODBECQFNHRJD-CYBMUJFWSA-N -1 3 359.447 3.340 20 0 FGADHM C[C@H]1CCN(C(=O)CCc2nc(-c3ccncc3)no2)c2c([O-])cccc21 ZINC000186314119 495942334 /nfs/dbraw/zinc/94/23/34/495942334.db2.gz FERKYLHJFRAVMO-ZDUSSCGKSA-N -1 3 364.405 3.310 20 0 FGADHM CCC(C)(C)c1ccc(CNC(=O)CCc2c(C)nc(C)[n-]c2=O)cc1 ZINC000151779566 495944155 /nfs/dbraw/zinc/94/41/55/495944155.db2.gz VXLLJYVEYHRXTC-UHFFFAOYSA-N -1 3 355.482 3.323 20 0 FGADHM O=C(NC[C@@H]1CCCN1Cc1ccccc1)c1cc(F)c(F)c([O-])c1F ZINC000186388059 495977573 /nfs/dbraw/zinc/97/75/73/495977573.db2.gz ZGSCDVKIXHQTLM-ZDUSSCGKSA-N -1 3 364.367 3.204 20 0 FGADHM Cc1nc(-c2ccc(N3CCC[C@@H](C(F)(F)F)C3)nc2)[n-]c(=O)c1C ZINC000171675209 495985058 /nfs/dbraw/zinc/98/50/58/495985058.db2.gz PELASELDEPFJBU-CYBMUJFWSA-N -1 3 352.360 3.227 20 0 FGADHM COc1ccc(Cl)c(S(=O)(=O)[N-][C@H](C)CC(=O)c2ccccc2)c1 ZINC000151903749 495987616 /nfs/dbraw/zinc/98/76/16/495987616.db2.gz ULUZEBHOYDFAHY-GFCCVEGCSA-N -1 3 367.854 3.288 20 0 FGADHM O=S(=O)([N-][C@@H](c1nccs1)c1ccccc1)c1ccc(F)cc1F ZINC000171713644 496001758 /nfs/dbraw/zinc/00/17/58/496001758.db2.gz MBLKLRHGEZIUCG-OAHLLOKOSA-N -1 3 366.414 3.489 20 0 FGADHM CN(C)CCN(CCCc1ccccc1)C(=O)c1cc(F)c([O-])c(F)c1 ZINC000183498701 496009043 /nfs/dbraw/zinc/00/90/43/496009043.db2.gz COWIVUCNWXBMBW-UHFFFAOYSA-N -1 3 362.420 3.307 20 0 FGADHM CC(C)OC(=O)C[C@@H](NC(=O)NCc1ccc([O-])c(F)c1)c1ccccc1 ZINC000155654445 496026447 /nfs/dbraw/zinc/02/64/47/496026447.db2.gz OFLXDOQOPDOZTP-QGZVFWFLSA-N -1 3 374.412 3.414 20 0 FGADHM O=C(NCc1ccn2ccnc2c1)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000186543004 496037623 /nfs/dbraw/zinc/03/76/23/496037623.db2.gz KFJBXRUDQCYGPU-UHFFFAOYSA-N -1 3 357.826 3.369 20 0 FGADHM O=C(NCC1(c2ccccc2Cl)CCOCC1)c1cccc2nn[n-]c21 ZINC000183579166 496038346 /nfs/dbraw/zinc/03/83/46/496038346.db2.gz FIMRKJVOUOZRLG-UHFFFAOYSA-N -1 3 370.840 3.090 20 0 FGADHM O=C(NCC1(c2ccccc2Cl)CCOCC1)c1cccc2[n-]nnc21 ZINC000183579166 496038347 /nfs/dbraw/zinc/03/83/47/496038347.db2.gz FIMRKJVOUOZRLG-UHFFFAOYSA-N -1 3 370.840 3.090 20 0 FGADHM O=C(NCC1(c2ccccc2Cl)CCOCC1)c1cccc2n[n-]nc21 ZINC000183579166 496038351 /nfs/dbraw/zinc/03/83/51/496038351.db2.gz FIMRKJVOUOZRLG-UHFFFAOYSA-N -1 3 370.840 3.090 20 0 FGADHM COc1cccc([C@@H]2[C@@H](NC(=O)c3ccc([O-])cc3F)CCN2C2CC2)c1 ZINC000155743748 496053593 /nfs/dbraw/zinc/05/35/93/496053593.db2.gz PYNSUEJUEDPNMS-VQTJNVASSA-N -1 3 370.424 3.248 20 0 FGADHM O=C(Nc1cnn(-c2ncccn2)c1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000177416375 496053903 /nfs/dbraw/zinc/05/39/03/496053903.db2.gz XVAISZDZDMNEBB-UHFFFAOYSA-N -1 3 373.372 3.413 20 0 FGADHM C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])[C@@H](C)c1ccccc1 ZINC000177428776 496057756 /nfs/dbraw/zinc/05/77/56/496057756.db2.gz AVODLDHLLSXYQF-GJYPPUQNSA-N -1 3 366.461 3.305 20 0 FGADHM CN(C)c1ccc([N-]S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)nc1 ZINC000186591437 496061670 /nfs/dbraw/zinc/06/16/70/496061670.db2.gz XZECGVRFIKBWCA-UHFFFAOYSA-N -1 3 360.266 3.396 20 0 FGADHM CC(C)(C(N)=O)c1ccc(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)cc1 ZINC000155769036 496062325 /nfs/dbraw/zinc/06/23/25/496062325.db2.gz IOSCFQMGVBSFPC-UHFFFAOYSA-N -1 3 368.433 3.121 20 0 FGADHM Cc1nc(C)c(CCC(=O)Nc2ccc(CCC(F)(F)F)cc2)c(=O)[n-]1 ZINC000177443022 496063838 /nfs/dbraw/zinc/06/38/38/496063838.db2.gz TYXXURFFYLHIAL-UHFFFAOYSA-N -1 3 367.371 3.453 20 0 FGADHM CC(C)(C)C[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000186644043 496087571 /nfs/dbraw/zinc/08/75/71/496087571.db2.gz KELOMOCBDILJCL-LBPRGKRZSA-N -1 3 361.891 3.080 20 0 FGADHM COC(=O)c1ccc(NC(=O)c2cc(-c3ccc(C)o3)[n-]n2)c(OC)c1 ZINC000186671261 496099903 /nfs/dbraw/zinc/09/99/03/496099903.db2.gz SWDQASJMUPNGDE-UHFFFAOYSA-N -1 3 355.350 3.026 20 0 FGADHM COC(=O)c1ccc(NC(=O)c2cc(-c3ccc(C)o3)n[n-]2)c(OC)c1 ZINC000186671261 496099909 /nfs/dbraw/zinc/09/99/09/496099909.db2.gz SWDQASJMUPNGDE-UHFFFAOYSA-N -1 3 355.350 3.026 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-]C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000155927322 496109864 /nfs/dbraw/zinc/10/98/64/496109864.db2.gz QSCGKKJPEWPRAT-GOEBONIOSA-N -1 3 367.492 3.203 20 0 FGADHM C[C@H]1CCC[C@@H](CC(=O)Nc2cc(N3CCCS3(=O)=O)ccc2[O-])C1 ZINC000155933615 496110633 /nfs/dbraw/zinc/11/06/33/496110633.db2.gz SFSUYSNGXOZTAW-UONOGXRCSA-N -1 3 366.483 3.087 20 0 FGADHM COC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)C1CC1 ZINC000152381111 496133828 /nfs/dbraw/zinc/13/38/28/496133828.db2.gz WJRSHYHHTBPBHX-LLVKDONJSA-N -1 3 357.781 3.062 20 0 FGADHM CSCCCNC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000183857300 496138612 /nfs/dbraw/zinc/13/86/12/496138612.db2.gz ADVGKSIJQSIUTC-SFHVURJKSA-N -1 3 372.490 3.123 20 0 FGADHM Cc1nc(C)c(CCC(=O)N[C@H]2c3ccccc3CC[C@@H]2C(C)C)c(=O)[n-]1 ZINC000183862294 496140804 /nfs/dbraw/zinc/14/08/04/496140804.db2.gz CDGPTIUEITWPHW-DYESRHJHSA-N -1 3 367.493 3.395 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-][C@H](c1ccccc1)c1ccncc1 ZINC000156077682 496151332 /nfs/dbraw/zinc/15/13/32/496151332.db2.gz BVMJUXIKJSOWHJ-MRXNPFEDSA-N -1 3 360.460 3.220 20 0 FGADHM Cc1c(C(=O)Nc2cc(F)ccc2[O-])nnn1-c1ccc(OC(C)C)cc1 ZINC000174892832 496152406 /nfs/dbraw/zinc/15/24/06/496152406.db2.gz AOVKAJNOIWZHFT-UHFFFAOYSA-N -1 3 370.384 3.460 20 0 FGADHM O=C(Nc1cc(F)ccc1[O-])c1cccc(I)c1 ZINC000174904455 496157852 /nfs/dbraw/zinc/15/78/52/496157852.db2.gz YNRXBUIYECSBPV-UHFFFAOYSA-N -1 3 357.122 3.388 20 0 FGADHM COc1cccc(C(=O)N[C@@H](C)Cc2cc(C)nn2-c2ccccc2)c1[O-] ZINC000156139023 496169038 /nfs/dbraw/zinc/16/90/38/496169038.db2.gz MMEGXBUHPIOJEX-AWEZNQCLSA-N -1 3 365.433 3.256 20 0 FGADHM O=C(NCc1ccccc1)c1ccc(NC(=O)c2c([O-])cccc2O)cc1 ZINC000180849298 496171135 /nfs/dbraw/zinc/17/11/35/496171135.db2.gz UZIDMBKSVKHGNU-UHFFFAOYSA-N -1 3 362.385 3.280 20 0 FGADHM CN(Cc1cscn1)Cc1cccc(NC(=O)c2c([O-])cccc2O)c1 ZINC000180853344 496171530 /nfs/dbraw/zinc/17/15/30/496171530.db2.gz BBCIMPROEPKJMI-UHFFFAOYSA-N -1 3 369.446 3.439 20 0 FGADHM C[C@@H](CNC(=O)c1c([O-])cccc1O)Oc1ccccc1Br ZINC000180858886 496174998 /nfs/dbraw/zinc/17/49/98/496174998.db2.gz RDVMDBIJITYFEE-JTQLQIEISA-N -1 3 366.211 3.058 20 0 FGADHM CC(C)Cn1cnc(S(=O)(=O)[N-][C@H](c2ccco2)c2ccccc2)c1 ZINC000174965553 496185158 /nfs/dbraw/zinc/18/51/58/496185158.db2.gz XXFAZCVZMDENCL-SFHVURJKSA-N -1 3 359.451 3.200 20 0 FGADHM CC(C)C[C@H](NC(=O)CS(=O)(=O)c1cccc([O-])c1)c1ccccc1 ZINC000183992393 496191195 /nfs/dbraw/zinc/19/11/95/496191195.db2.gz NSNZHJJQSLAPBW-SFHVURJKSA-N -1 3 361.463 3.070 20 0 FGADHM CC[C@@H](NCC[N-]S(=O)(=O)c1cccs1)c1ccc(F)cc1F ZINC000161535983 496193430 /nfs/dbraw/zinc/19/34/30/496193430.db2.gz YPRAHKZNCDBBRG-CQSZACIVSA-N -1 3 360.451 3.046 20 0 FGADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N3CC[C@H](C)[C@@H]3C)cs2)c1 ZINC000184005803 496197370 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CCOC(=O)c1cc(NC(=O)C2(c3cccc(C(F)(F)F)c3)CC2)[n-]n1 ZINC000180938642 496208716 /nfs/dbraw/zinc/20/87/16/496208716.db2.gz GUOUDGWXRDIDKQ-UHFFFAOYSA-N -1 3 367.327 3.276 20 0 FGADHM CCOC(=O)c1sc(NC(=O)Cc2ccc([O-])cc2Cl)nc1C ZINC000161638911 496212074 /nfs/dbraw/zinc/21/20/74/496212074.db2.gz BYKXFXCKTNWBLQ-UHFFFAOYSA-N -1 3 354.815 3.168 20 0 FGADHM O=C(NCCC1=CCCCCC1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000184071222 496227092 /nfs/dbraw/zinc/22/70/92/496227092.db2.gz QSXKTQVQFBUIRJ-UHFFFAOYSA-N -1 3 371.481 3.140 20 0 FGADHM COC(=O)c1ccc(C)c([N-]C(=O)c2cc(-c3ccccc3)no2)c1O ZINC000184118721 496247322 /nfs/dbraw/zinc/24/73/22/496247322.db2.gz ITACVWHVRZVBPL-UHFFFAOYSA-N -1 3 352.346 3.395 20 0 FGADHM COc1ccc(CN(C(=O)c2ccc(C)cc2[O-])[C@H](CO)C(C)C)cc1 ZINC000184128634 496250399 /nfs/dbraw/zinc/25/03/99/496250399.db2.gz SXKGNNBTXWZUHW-LJQANCHMSA-N -1 3 357.450 3.369 20 0 FGADHM Cc1cc(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)c(Cl)cc1F ZINC000161867095 496252555 /nfs/dbraw/zinc/25/25/55/496252555.db2.gz SZOFWPMZHQOIAH-UHFFFAOYSA-N -1 3 356.806 3.411 20 0 FGADHM CCc1cccc(S(=O)(=O)[N-]c2ccc(OCc3nccn3C)cc2)c1 ZINC000177923396 496253121 /nfs/dbraw/zinc/25/31/21/496253121.db2.gz LKMDTDJLXMQROK-UHFFFAOYSA-N -1 3 371.462 3.362 20 0 FGADHM CCSCC[C@H](C)[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000156476773 496255532 /nfs/dbraw/zinc/25/55/32/496255532.db2.gz GDTPPUOIVIZQPR-VIFPVBQESA-N -1 3 370.309 3.398 20 0 FGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H]2CCCO[C@H]2C(C)C)c1 ZINC000175131331 496260257 /nfs/dbraw/zinc/26/02/57/496260257.db2.gz CNFYXYYMMRUERP-WBMJQRKESA-N -1 3 361.891 3.078 20 0 FGADHM O=C(c1ccc(O)cc1[O-])N1CCN(c2c(Cl)cccc2Cl)CC1 ZINC000184179929 496273850 /nfs/dbraw/zinc/27/38/50/496273850.db2.gz GYHKOBFPIUZPLX-UHFFFAOYSA-N -1 3 367.232 3.367 20 0 FGADHM CCOc1cccc2[nH]cc(Cc3nc(-c4ccc5n[n-]nc5c4)no3)c21 ZINC000574696545 505834054 /nfs/dbraw/zinc/83/40/54/505834054.db2.gz VKHNYNBZRARSTQ-UHFFFAOYSA-N -1 3 360.377 3.479 20 0 FGADHM CC(C)Oc1ccc(CSc2nc3n[nH]cc3c(=O)[n-]2)cc1Cl ZINC000187084306 496285458 /nfs/dbraw/zinc/28/54/58/496285458.db2.gz AKRGNEAHAIFHCN-UHFFFAOYSA-N -1 3 350.831 3.379 20 0 FGADHM COC(=O)c1cccc(CC(=O)Nc2ccc(Br)cc2[O-])c1 ZINC000152953053 496306128 /nfs/dbraw/zinc/30/61/28/496306128.db2.gz QJCUUNRINLECQM-UHFFFAOYSA-N -1 3 364.195 3.123 20 0 FGADHM [O-]c1nnn(-c2ccccc2)c1CN1CCC(OCC2CCCC2)CC1 ZINC000175257448 496311617 /nfs/dbraw/zinc/31/16/17/496311617.db2.gz XYPMWEBKDPHHCX-UHFFFAOYSA-N -1 3 356.470 3.144 20 0 FGADHM Cc1nnc([C@@H]2Cc3ccccc3CN2Cc2cc(=O)[n-]c(C3CC3)n2)o1 ZINC000571880629 505836687 /nfs/dbraw/zinc/83/66/87/505836687.db2.gz AGNAAVWXUJSNCN-KRWDZBQOSA-N -1 3 363.421 3.051 20 0 FGADHM C[N-]S(=O)(=O)c1cc(NC(=O)c2cc(SC)ccc2C)ccc1F ZINC000580777765 505836798 /nfs/dbraw/zinc/83/67/98/505836798.db2.gz HNURUVQJLBKTTF-UHFFFAOYSA-N -1 3 368.455 3.016 20 0 FGADHM CCCS(=O)(=O)[N-]c1cc(NC(=O)c2[nH]c(C)cc2C)c(F)cc1F ZINC000153082208 496346873 /nfs/dbraw/zinc/34/68/73/496346873.db2.gz CXLQNWXGUJUZAK-UHFFFAOYSA-N -1 3 371.409 3.314 20 0 FGADHM CC(C)(CCCc1ccccc1)C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000153080990 496347032 /nfs/dbraw/zinc/34/70/32/496347032.db2.gz UTODDAXURBHGNW-UHFFFAOYSA-N -1 3 368.477 3.287 20 0 FGADHM COC[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1)c1ccc(C)o1 ZINC000175345668 496348840 /nfs/dbraw/zinc/34/88/40/496348840.db2.gz DMRKCYXYTSCULY-ZDUSSCGKSA-N -1 3 374.256 3.017 20 0 FGADHM Cc1ccc(CCN(C[C@@H]2CCCO2)C(=O)c2ccc(O)cc2[O-])cc1 ZINC000175344790 496348951 /nfs/dbraw/zinc/34/89/51/496348951.db2.gz HYNJQIYWOBYMMB-SFHVURJKSA-N -1 3 355.434 3.270 20 0 FGADHM CC(C)OCC(=O)N=c1cc(-c2cc(Br)ccc2Cl)[n-][nH]1 ZINC000574714669 505839224 /nfs/dbraw/zinc/83/92/24/505839224.db2.gz KEPWVWZNTSLWRW-UHFFFAOYSA-N -1 3 372.650 3.278 20 0 FGADHM COc1ccccc1-c1nc(NC(=O)[C@H](C)Cc2ccccc2F)n[n-]1 ZINC000156907816 496362069 /nfs/dbraw/zinc/36/20/69/496362069.db2.gz FQFMHTACVOCFTD-GFCCVEGCSA-N -1 3 354.385 3.437 20 0 FGADHM Cc1nc(C)c(CCC(=O)N[C@H](C)Cc2ccc(C(C)C)cc2)c(=O)[n-]1 ZINC000153139974 496364916 /nfs/dbraw/zinc/36/49/16/496364916.db2.gz JHTBIVGVASCYOP-CQSZACIVSA-N -1 3 355.482 3.190 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)c1cnc(-c2ccccc2)nc1)c1nccs1 ZINC000187261090 496365119 /nfs/dbraw/zinc/36/51/19/496365119.db2.gz MZTCQQMFNRREGI-AWEZNQCLSA-N -1 3 360.464 3.030 20 0 FGADHM COCc1cccc(CC(=O)Nc2cc(Br)ccc2[O-])c1 ZINC000187273672 496371429 /nfs/dbraw/zinc/37/14/29/496371429.db2.gz YSQZCVGRRRIQKU-UHFFFAOYSA-N -1 3 350.212 3.482 20 0 FGADHM O=C(NCCCOCC1CC1)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000187275466 496372432 /nfs/dbraw/zinc/37/24/32/496372432.db2.gz BUHSGQNCUGBMLG-UHFFFAOYSA-N -1 3 353.418 3.170 20 0 FGADHM CN(C)c1nc(-c2nc(Cc3c(Cl)cccc3Cl)no2)cc(=O)[n-]1 ZINC000574722102 505840133 /nfs/dbraw/zinc/84/01/33/505840133.db2.gz NLSOJJYBLJDBSC-UHFFFAOYSA-N -1 3 366.208 3.196 20 0 FGADHM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc2c(cc1F)NC(=O)CC2 ZINC000156977778 496377845 /nfs/dbraw/zinc/37/78/45/496377845.db2.gz NPTKGQBIXVRGJB-UHFFFAOYSA-N -1 3 368.817 3.473 20 0 FGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@H]3CCOC3(C)C)s2)cs1 ZINC000574723812 505841273 /nfs/dbraw/zinc/84/12/73/505841273.db2.gz ROOCUVASLDVYOL-LBPRGKRZSA-N -1 3 358.510 3.026 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-]CC(C)(C)c1ccc(OC)cc1 ZINC000157111627 496408078 /nfs/dbraw/zinc/40/80/78/496408078.db2.gz NGVFHTMQVFIOOJ-UHFFFAOYSA-N -1 3 355.481 3.021 20 0 FGADHM CC(C)c1nc2n(n1)CCC[C@@H]2[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000157131340 496412575 /nfs/dbraw/zinc/41/25/75/496412575.db2.gz WWZSBMWOBTZHBA-LBPRGKRZSA-N -1 3 372.853 3.007 20 0 FGADHM CCCCNC(=O)[C@@H]1CCCN(C(=O)c2c[n-]c3c(C)cccc3c2=O)C1 ZINC000162847135 496422081 /nfs/dbraw/zinc/42/20/81/496422081.db2.gz JIPAXKFJQQPFGV-OAHLLOKOSA-N -1 3 369.465 3.017 20 0 FGADHM C[C@H](CCC(=O)NCCCNC(=O)c1cccc([O-])c1)c1ccccc1 ZINC000162848723 496422656 /nfs/dbraw/zinc/42/26/56/496422656.db2.gz OXVHKKBONJPCAX-MRXNPFEDSA-N -1 3 354.450 3.212 20 0 FGADHM CCCc1ncc(C(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)s1 ZINC000178352074 496424862 /nfs/dbraw/zinc/42/48/62/496424862.db2.gz HSVYNWFDHRRDIU-UHFFFAOYSA-N -1 3 373.478 3.292 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-]CCCCOCc1ccccc1 ZINC000157208271 496428884 /nfs/dbraw/zinc/42/88/84/496428884.db2.gz JKVSDAWZJSRUFN-UHFFFAOYSA-N -1 3 355.481 3.032 20 0 FGADHM Cc1nc(C)c(CCC(=O)N2C[C@@H](C)C[C@@H]2c2cccc(F)c2)c(=O)[n-]1 ZINC000172785953 496431751 /nfs/dbraw/zinc/43/17/51/496431751.db2.gz FKLVGJQIWMWPPO-KPZWWZAWSA-N -1 3 357.429 3.068 20 0 FGADHM O=C([N-]c1n[nH]c(C2CCC2)n1)c1c(F)cc(Br)cc1F ZINC000184550176 496434755 /nfs/dbraw/zinc/43/47/55/496434755.db2.gz CXCSHQSMVGRAPH-UHFFFAOYSA-N -1 3 357.158 3.365 20 0 FGADHM CO[C@H](C)c1nc(C)c(C(=O)[N-]c2nc3ccc(Cl)cn3n2)s1 ZINC000157258064 496440691 /nfs/dbraw/zinc/44/06/91/496440691.db2.gz WJMOBWFJKVNTOZ-MRVPVSSYSA-N -1 3 351.819 3.107 20 0 FGADHM O=S(=O)([N-][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)c1ccc(F)c(F)c1 ZINC000181597791 496463576 /nfs/dbraw/zinc/46/35/76/496463576.db2.gz SNNIBMDJVZDNIZ-HZPDHXFCSA-N -1 3 373.808 3.427 20 0 FGADHM O=c1[n-]c(CN2CCO[C@@H](c3cccs3)C2)nc2c3ccccc3oc21 ZINC000157375711 496465171 /nfs/dbraw/zinc/46/51/71/496465171.db2.gz AFWCEUYNAJNVBI-CQSZACIVSA-N -1 3 367.430 3.304 20 0 FGADHM CSc1cccc(C)c1[N-]C(=O)c1cc(S(=O)(=O)N(C)C)c(C)o1 ZINC000184619680 496467111 /nfs/dbraw/zinc/46/71/11/496467111.db2.gz KTKGJQFZRNBMND-UHFFFAOYSA-N -1 3 368.480 3.121 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]c2cccc(C[S@](C)=O)c2C)cc(C)c1F ZINC000172894927 496480835 /nfs/dbraw/zinc/48/08/35/496480835.db2.gz TUUGVDZBZUMICB-QHCPKHFHSA-N -1 3 369.483 3.430 20 0 FGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)Cc1cccs1 ZINC000178508638 496481943 /nfs/dbraw/zinc/48/19/43/496481943.db2.gz SRGMCGFLRNZXHB-JTQLQIEISA-N -1 3 373.883 3.098 20 0 FGADHM COc1ccc(N2C[C@@H](C(=O)Nc3ccc(Cl)cc3[O-])CC2=O)cc1 ZINC000153531479 496487417 /nfs/dbraw/zinc/48/74/17/496487417.db2.gz AVDYTMAVYRPCFW-NSHDSACASA-N -1 3 360.797 3.046 20 0 FGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C[C@H]2CCC[C@@H]2C)cc1OC ZINC000184671531 496487739 /nfs/dbraw/zinc/48/77/39/496487739.db2.gz QQPJKBJMQMHQNY-QWHCGFSZSA-N -1 3 354.472 3.222 20 0 FGADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCC(n2ccnn2)CC1 ZINC000163316224 496497835 /nfs/dbraw/zinc/49/78/35/496497835.db2.gz KUGXXJHOLFKURB-UHFFFAOYSA-N -1 3 364.405 3.253 20 0 FGADHM O=C(c1ccccc1[O-])N1CCN([C@H]2CCc3c2cccc3Cl)CC1 ZINC000157545209 496500886 /nfs/dbraw/zinc/50/08/86/496500886.db2.gz RIMGELROVAUMQE-SFHVURJKSA-N -1 3 356.853 3.491 20 0 FGADHM Cc1ccsc1[C@H]1C[C@@H]1C(=O)Nc1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000178569461 496501977 /nfs/dbraw/zinc/50/19/77/496501977.db2.gz YGXQXTZLALFIGH-RYUDHWBXSA-N -1 3 368.455 3.309 20 0 FGADHM COC(=O)c1cnc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)[n-]1 ZINC000187598218 496505260 /nfs/dbraw/zinc/50/52/60/496505260.db2.gz VNPHWWMUMPNJFC-UHFFFAOYSA-N -1 3 360.222 3.234 20 0 FGADHM Cc1cc(S(=O)(=O)[N-][C@H]2CCO[C@@H](c3ccccc3)C2)c(F)cc1F ZINC000163376412 496506228 /nfs/dbraw/zinc/50/62/28/496506228.db2.gz OOBPVTFLVFGKCG-WMLDXEAASA-N -1 3 367.417 3.472 20 0 FGADHM COC(=O)c1c2c(sc1NC([O-])=NOCCC(F)(F)F)CCCC2 ZINC000157660484 496525852 /nfs/dbraw/zinc/52/58/52/496525852.db2.gz FGMJETOOWMCTML-UHFFFAOYSA-N -1 3 366.361 3.419 20 0 FGADHM COC(=O)c1c2c(sc1NC(=O)[N-]OCCC(F)(F)F)CCCC2 ZINC000157660484 496525862 /nfs/dbraw/zinc/52/58/62/496525862.db2.gz FGMJETOOWMCTML-UHFFFAOYSA-N -1 3 366.361 3.419 20 0 FGADHM C[C@@H](NC(=O)C1CCCCC1)C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000153645086 496531285 /nfs/dbraw/zinc/53/12/85/496531285.db2.gz XEMHTKNYDXZHEK-SNVBAGLBSA-N -1 3 358.360 3.435 20 0 FGADHM COc1cc(C(=O)NCCc2c[nH]c3c2cccc3C)cc(OC)c1[O-] ZINC000163612233 496537617 /nfs/dbraw/zinc/53/76/17/496537617.db2.gz YKFWNXWFCPVOTL-UHFFFAOYSA-N -1 3 354.406 3.172 20 0 FGADHM COCc1c(C(=O)Nc2cccc(C(C)=O)c2[O-])cnn1-c1ccccc1 ZINC000578050332 505850401 /nfs/dbraw/zinc/85/04/01/505850401.db2.gz YEJKRODYKIYDMM-UHFFFAOYSA-N -1 3 365.389 3.179 20 0 FGADHM COC(=O)c1sccc1S(=O)(=O)[N-]C(C)(C)c1cccc(C)c1 ZINC000157744938 496544847 /nfs/dbraw/zinc/54/48/47/496544847.db2.gz NAHLMBRBNRWVKI-UHFFFAOYSA-N -1 3 353.465 3.057 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)[C@@H]3SCCc4sccc43)[n-]c21 ZINC000157772600 496551379 /nfs/dbraw/zinc/55/13/79/496551379.db2.gz AVPXMIJVPONWKB-CQSZACIVSA-N -1 3 373.459 3.380 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@@H]3SCCc4sccc43)nc21 ZINC000157772600 496551385 /nfs/dbraw/zinc/55/13/85/496551385.db2.gz AVPXMIJVPONWKB-CQSZACIVSA-N -1 3 373.459 3.380 20 0 FGADHM CCc1nnc(-c2ccc(NC(=O)c3c[n-]c4ccccc4c3=O)cc2)o1 ZINC000175809339 496553990 /nfs/dbraw/zinc/55/39/90/496553990.db2.gz GTBBYNVIGQNDHZ-UHFFFAOYSA-N -1 3 360.373 3.393 20 0 FGADHM CCc1nnc(-c2ccc(NC(=O)c3cnc4ccccc4c3[O-])cc2)o1 ZINC000175809339 496553997 /nfs/dbraw/zinc/55/39/97/496553997.db2.gz GTBBYNVIGQNDHZ-UHFFFAOYSA-N -1 3 360.373 3.393 20 0 FGADHM CCC(CC)c1cc(C(=O)Nc2nc3cccc(C(=O)OC)c3[n-]2)on1 ZINC000157798707 496557850 /nfs/dbraw/zinc/55/78/50/496557850.db2.gz ARFZXXIZXDXTOW-UHFFFAOYSA-N -1 3 356.382 3.493 20 0 FGADHM CCC(CC)c1cc(C(=O)Nc2nc3c(cccc3C(=O)OC)[n-]2)on1 ZINC000157798707 496557855 /nfs/dbraw/zinc/55/78/55/496557855.db2.gz ARFZXXIZXDXTOW-UHFFFAOYSA-N -1 3 356.382 3.493 20 0 FGADHM CCc1nc([N-]C(=O)c2cnc(-c3ccco3)s2)sc1C(=O)OC ZINC000178746489 496558292 /nfs/dbraw/zinc/55/82/92/496558292.db2.gz QQRJNXRPYWESSA-UHFFFAOYSA-N -1 3 363.420 3.461 20 0 FGADHM O=C(Cc1ccc([O-])cc1Cl)NCc1cccc(N2CCCC2=O)c1 ZINC000163903100 496569478 /nfs/dbraw/zinc/56/94/78/496569478.db2.gz PQLSQMGMJVVXQA-UHFFFAOYSA-N -1 3 358.825 3.031 20 0 FGADHM O=C(Nc1cc(Cc2ccccc2)ccc1[O-])c1ccc(-n2cnnn2)cc1 ZINC000175846465 496571328 /nfs/dbraw/zinc/57/13/28/496571328.db2.gz OMPHKOSVECRCJD-UHFFFAOYSA-N -1 3 371.400 3.211 20 0 FGADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@@H](C)[C@@H](C)c1ccccc1 ZINC000178834502 496588083 /nfs/dbraw/zinc/58/80/83/496588083.db2.gz XWLNJISILILQAZ-OLZOCXBDSA-N -1 3 365.426 3.083 20 0 FGADHM C[C@H](NC(=O)c1cc(OCc2ccccc2)ccc1[O-])c1cnn(C)c1 ZINC000164158632 496589770 /nfs/dbraw/zinc/58/97/70/496589770.db2.gz WXIKJVSGPULULV-AWEZNQCLSA-N -1 3 351.406 3.196 20 0 FGADHM COCc1nc2cc([N-]S(=O)(=O)Cc3ccc(F)cc3)ccc2o1 ZINC000175921729 496603071 /nfs/dbraw/zinc/60/30/71/496603071.db2.gz JUOBAJALFWVFMN-UHFFFAOYSA-N -1 3 350.371 3.055 20 0 FGADHM C[C@@]1(c2cccc(NC(=O)C[C@H]3CCCCC3(C)C)c2)NC(=O)[N-]C1=O ZINC000158090096 496625542 /nfs/dbraw/zinc/62/55/42/496625542.db2.gz WTSNLSDIRUFSON-XCLFUZPHSA-N -1 3 357.454 3.286 20 0 FGADHM COC(=O)[C@@H]1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C[C@@H]1C ZINC000187944264 496626787 /nfs/dbraw/zinc/62/67/87/496626787.db2.gz KWMVKKKBXCXARQ-MAUKXSAKSA-N -1 3 367.445 3.254 20 0 FGADHM CN1CC[C@H]([N-]S(=O)(=O)c2cc(F)ccc2Cl)[C@@H]1c1ccccc1 ZINC000178950736 496626995 /nfs/dbraw/zinc/62/69/95/496626995.db2.gz WVJJYKNBOHORDI-RDJZCZTQSA-N -1 3 368.861 3.203 20 0 FGADHM CCc1cc(NC(=O)N2CCN(C(=O)c3cccc([O-])c3)CC2)ccc1C ZINC000182014968 496635436 /nfs/dbraw/zinc/63/54/36/496635436.db2.gz HEGBTAQDBJYQCH-UHFFFAOYSA-N -1 3 367.449 3.253 20 0 FGADHM Cc1nccn1CCCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000173310255 496637325 /nfs/dbraw/zinc/63/73/25/496637325.db2.gz AJBUTWQYLYKRMU-UHFFFAOYSA-N -1 3 362.282 3.257 20 0 FGADHM C[C@H](O)[C@@H]1CCCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])C1 ZINC000153964764 496638092 /nfs/dbraw/zinc/63/80/92/496638092.db2.gz YKNFLXABPWTNOF-QFBILLFUSA-N -1 3 353.462 3.410 20 0 FGADHM CCc1nc([N-]C(=O)c2cc(-c3cccs3)on2)sc1C(=O)OC ZINC000179009837 496645025 /nfs/dbraw/zinc/64/50/25/496645025.db2.gz LSOQFUWTDYRUSE-UHFFFAOYSA-N -1 3 363.420 3.461 20 0 FGADHM COc1cc(Cl)c(S(=O)(=O)[N-]Cc2cccc(N)c2)cc1Cl ZINC000158269029 496663705 /nfs/dbraw/zinc/66/37/05/496663705.db2.gz QJUYRCBYXQRBGI-UHFFFAOYSA-N -1 3 361.250 3.063 20 0 FGADHM Cc1cc(S(=O)(=O)[N-][C@H](C)c2nc(C(C)(C)C)no2)sc1Cl ZINC000188068432 496669670 /nfs/dbraw/zinc/66/96/70/496669670.db2.gz NKSLXAPKIJWSNA-MRVPVSSYSA-N -1 3 363.892 3.430 20 0 FGADHM O=S(=O)([N-]c1ccncc1Br)c1cccc2ncccc21 ZINC000165890462 496671573 /nfs/dbraw/zinc/67/15/73/496671573.db2.gz AZQOKIHXTJWUOQ-UHFFFAOYSA-N -1 3 364.224 3.193 20 0 FGADHM O=C(N1CCc2nc[n-]c(=O)c2C1)C1(c2cccc(Cl)c2)CCCCC1 ZINC000179096125 496672801 /nfs/dbraw/zinc/67/28/01/496672801.db2.gz ZIVNXGYBXAGHSI-UHFFFAOYSA-N -1 3 371.868 3.210 20 0 FGADHM Cc1ccc(SC2(C(=O)N3CCc4nc[n-]c(=O)c4C3)CCCC2)cc1 ZINC000179093364 496673307 /nfs/dbraw/zinc/67/33/07/496673307.db2.gz VLGLHQBWAKHUGN-UHFFFAOYSA-N -1 3 369.490 3.068 20 0 FGADHM COC(=O)c1coc(C(=O)[N-]c2cc(F)cc(F)c2Br)c1 ZINC000188095259 496681223 /nfs/dbraw/zinc/68/12/23/496681223.db2.gz ATJKSSUDVKSRIZ-UHFFFAOYSA-N -1 3 360.110 3.359 20 0 FGADHM COc1ccccc1[C@@H](CNC(=O)c1cccc([O-])c1)N1CCCCC1 ZINC000182145413 496687676 /nfs/dbraw/zinc/68/76/76/496687676.db2.gz GKANMRGXQUMOJU-LJQANCHMSA-N -1 3 354.450 3.358 20 0 FGADHM COC(=O)C[C@H]1CCCN1C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000179145845 496690794 /nfs/dbraw/zinc/69/07/94/496690794.db2.gz MVDBNNSPMCSUBP-QGZVFWFLSA-N -1 3 353.418 3.151 20 0 FGADHM CCCCc1nc2cc(NC(=O)c3c(C)[n-]c(=O)nc3SC)ccc2[nH]1 ZINC000176134237 496698654 /nfs/dbraw/zinc/69/86/54/496698654.db2.gz OFXFSACMKWVLSL-UHFFFAOYSA-N -1 3 371.466 3.271 20 0 FGADHM CCCCc1nc2ccc(NC(=O)c3c(C)[n-]c(=O)nc3SC)cc2[nH]1 ZINC000176134237 496698659 /nfs/dbraw/zinc/69/86/59/496698659.db2.gz OFXFSACMKWVLSL-UHFFFAOYSA-N -1 3 371.466 3.271 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)[C@@H]1COc2ccccc21 ZINC000167589790 496703658 /nfs/dbraw/zinc/70/36/58/496703658.db2.gz OIWWEBPUNXTLMP-JQWIXIFHSA-N -1 3 355.818 3.322 20 0 FGADHM COc1ccc(C(=O)Nc2cc(-c3nccn3C)[n-]n2)c(OCC(C)C)c1 ZINC000188161779 496705173 /nfs/dbraw/zinc/70/51/73/496705173.db2.gz YZIFQLUTKKOEHS-UHFFFAOYSA-N -1 3 369.425 3.106 20 0 FGADHM COc1ccc(C(=O)Nc2cc(-c3nccn3C)n[n-]2)c(OCC(C)C)c1 ZINC000188161779 496705177 /nfs/dbraw/zinc/70/51/77/496705177.db2.gz YZIFQLUTKKOEHS-UHFFFAOYSA-N -1 3 369.425 3.106 20 0 FGADHM CCc1cc(=O)[n-]c(CS[C@@H](C)C(=O)Nc2ccc(C(C)=O)cc2)n1 ZINC000268568418 496737419 /nfs/dbraw/zinc/73/74/19/496737419.db2.gz HMXHBCKYHVUPMT-LBPRGKRZSA-N -1 3 359.451 3.208 20 0 FGADHM CCc1ccc(C(=O)N[C@@H](C)c2noc(Cc3ccccc3)n2)c([O-])c1 ZINC000188274882 496737464 /nfs/dbraw/zinc/73/74/64/496737464.db2.gz BFQXCKQGNCGYGI-ZDUSSCGKSA-N -1 3 351.406 3.419 20 0 FGADHM COC(=O)c1c2c(sc1[N-]C(=O)c1snnc1C)CCCCC2 ZINC000191371436 496740587 /nfs/dbraw/zinc/74/05/87/496740587.db2.gz OLOWSUPPUJWENP-UHFFFAOYSA-N -1 3 351.453 3.216 20 0 FGADHM O=C(CCc1ccc(Cl)c(Cl)c1)N1CCc2c(=O)[n-]cnc2C1 ZINC000273209496 496741354 /nfs/dbraw/zinc/74/13/54/496741354.db2.gz JNLNKBYIHNXCCI-UHFFFAOYSA-N -1 3 352.221 3.007 20 0 FGADHM CCCc1occc1-c1nc(-c2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)no1 ZINC000569152055 505863582 /nfs/dbraw/zinc/86/35/82/505863582.db2.gz WPDIQRWTIJKUNQ-IBGZPJMESA-N -1 3 366.377 3.004 20 0 FGADHM O=C([N-]OC[C@@H]1CCOC1)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1 ZINC000188330681 496754524 /nfs/dbraw/zinc/75/45/24/496754524.db2.gz OWRKALJIXSGMON-QLFBSQMISA-N -1 3 358.463 3.430 20 0 FGADHM CC(C)(C)n1cc(C(=O)[N-]c2nnc(C(C)(C)c3ccccc3)s2)nn1 ZINC000191420735 496757168 /nfs/dbraw/zinc/75/71/68/496757168.db2.gz HAKBXAQCKZXYHM-UHFFFAOYSA-N -1 3 370.482 3.463 20 0 FGADHM Cc1cccc2c(=O)c(C(=O)N3CCC[C@@H]([C@H](O)C(F)(F)F)C3)c[n-]c12 ZINC000277457200 496780589 /nfs/dbraw/zinc/78/05/89/496780589.db2.gz IOVIEHOWYPRJOD-BZNIZROVSA-N -1 3 368.355 3.024 20 0 FGADHM CCOCCOc1ccc(Cl)cc1NC([O-])=NOCc1cccnc1 ZINC000273376983 496787990 /nfs/dbraw/zinc/78/79/90/496787990.db2.gz HJHMXFQGAGWFCS-UHFFFAOYSA-N -1 3 365.817 3.404 20 0 FGADHM CCOCCOc1ccc(Cl)cc1NC(=O)[N-]OCc1cccnc1 ZINC000273376983 496787994 /nfs/dbraw/zinc/78/79/94/496787994.db2.gz HJHMXFQGAGWFCS-UHFFFAOYSA-N -1 3 365.817 3.404 20 0 FGADHM CC(C)c1ccc(CN[C@@H](Cn2ccc(C(F)(F)F)n2)C(=O)[O-])cc1 ZINC000277501465 496795076 /nfs/dbraw/zinc/79/50/76/496795076.db2.gz XQXSPTGFAIKAOO-AWEZNQCLSA-N -1 3 355.360 3.268 20 0 FGADHM Cc1ccc(-c2nc([C@@H]3CN(Cc4ccccc4)CCO3)no2)c([O-])c1 ZINC000273418371 496800408 /nfs/dbraw/zinc/80/04/08/496800408.db2.gz OBTWVSYLEXOYGK-SFHVURJKSA-N -1 3 351.406 3.324 20 0 FGADHM CCn1nc(CNC[C@@H](Cc2ccc(C)cc2)C(=O)[O-])c2ccccc21 ZINC000277528248 496802503 /nfs/dbraw/zinc/80/25/03/496802503.db2.gz ZDEQZLAWLMYTRY-QGZVFWFLSA-N -1 3 351.450 3.398 20 0 FGADHM CCC(=O)c1cccc(NC([O-])=NOC[C@@H](C)NC(=O)OC(C)(C)C)c1 ZINC000273432549 496804951 /nfs/dbraw/zinc/80/49/51/496804951.db2.gz LIPRMUBFLULRJZ-GFCCVEGCSA-N -1 3 365.430 3.246 20 0 FGADHM CCC(=O)c1cccc(NC(=O)[N-]OC[C@@H](C)NC(=O)OC(C)(C)C)c1 ZINC000273432549 496804955 /nfs/dbraw/zinc/80/49/55/496804955.db2.gz LIPRMUBFLULRJZ-GFCCVEGCSA-N -1 3 365.430 3.246 20 0 FGADHM CCOc1cc(Br)ccc1NC(=O)c1cccc2nn[n-]c21 ZINC000188495966 496809471 /nfs/dbraw/zinc/80/94/71/496809471.db2.gz SPNKDPDMQYLCCK-UHFFFAOYSA-N -1 3 361.199 3.371 20 0 FGADHM CCOc1cc(Br)ccc1NC(=O)c1cccc2[n-]nnc21 ZINC000188495966 496809477 /nfs/dbraw/zinc/80/94/77/496809477.db2.gz SPNKDPDMQYLCCK-UHFFFAOYSA-N -1 3 361.199 3.371 20 0 FGADHM CCOc1cc(Br)ccc1NC(=O)c1cccc2n[n-]nc21 ZINC000188495966 496809482 /nfs/dbraw/zinc/80/94/82/496809482.db2.gz SPNKDPDMQYLCCK-UHFFFAOYSA-N -1 3 361.199 3.371 20 0 FGADHM CCOC(=O)c1csc(C2CCN(C(=O)c3cc(C)ccc3[O-])CC2)n1 ZINC000191554296 496809698 /nfs/dbraw/zinc/80/96/98/496809698.db2.gz YDJHWHPLDAADPI-UHFFFAOYSA-N -1 3 374.462 3.354 20 0 FGADHM CCOC(=O)c1csc(C2CCN(C(=O)c3ccccc3[O-])CC2)n1 ZINC000191557216 496810455 /nfs/dbraw/zinc/81/04/55/496810455.db2.gz NGRGMHUQPQMQKC-UHFFFAOYSA-N -1 3 360.435 3.045 20 0 FGADHM CCNC(=O)Nc1cccc(NC(=O)c2cc(-c3ccc(C)o3)[n-]n2)c1 ZINC000195078132 496815744 /nfs/dbraw/zinc/81/57/44/496815744.db2.gz IWARDEWTEBKKSS-UHFFFAOYSA-N -1 3 353.382 3.372 20 0 FGADHM CCNC(=O)Nc1cccc(NC(=O)c2cc(-c3ccc(C)o3)n[n-]2)c1 ZINC000195078132 496815748 /nfs/dbraw/zinc/81/57/48/496815748.db2.gz IWARDEWTEBKKSS-UHFFFAOYSA-N -1 3 353.382 3.372 20 0 FGADHM Cc1nc(C)c(CC(=O)N2C[C@@H](c3ccccc3)C3(CCC3)C2)c(=O)[n-]1 ZINC000572005131 505867905 /nfs/dbraw/zinc/86/79/05/505867905.db2.gz WWTABDVHBGJNGD-SFHVURJKSA-N -1 3 351.450 3.138 20 0 FGADHM CCOc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])c(C)c1 ZINC000195130033 496828753 /nfs/dbraw/zinc/82/87/53/496828753.db2.gz CLZNZHMLXPEMDV-SFHVURJKSA-N -1 3 368.433 3.343 20 0 FGADHM CCN(CC)[C@@H](C[N-]S(=O)(=O)c1ccco1)c1ccccc1Cl ZINC000188570701 496835080 /nfs/dbraw/zinc/83/50/80/496835080.db2.gz YMNWXJYYKDCDJS-HNNXBMFYSA-N -1 3 356.875 3.294 20 0 FGADHM C[C@@H](NC(=O)c1c[n-]nc1-c1ccccn1)c1ccc(-n2cccn2)cc1 ZINC000580922904 505869243 /nfs/dbraw/zinc/86/92/43/505869243.db2.gz ABGUBAPDXCMHKC-CQSZACIVSA-N -1 3 358.405 3.148 20 0 FGADHM Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)Nc1nc(C)ccc1[O-] ZINC000273569675 496842385 /nfs/dbraw/zinc/84/23/85/496842385.db2.gz XQWQTHVZJHHIEP-VIFPVBQESA-N -1 3 356.348 3.213 20 0 FGADHM O=S(=O)([N-]CCc1ccc(OCc2ccccc2)cc1)c1ccco1 ZINC000188608320 496848873 /nfs/dbraw/zinc/84/88/73/496848873.db2.gz ORFCFQVUJULKEC-UHFFFAOYSA-N -1 3 357.431 3.380 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N[C@@H]3CCCc4[nH]c(=O)ccc43)c[n-]c12 ZINC000269098721 496871325 /nfs/dbraw/zinc/87/13/25/496871325.db2.gz NZBLLPDMPYJZOD-MRXNPFEDSA-N -1 3 367.380 3.296 20 0 FGADHM Cc1nc(C)c(CCC(=O)Nc2cnccc2Oc2ccccc2)c(=O)[n-]1 ZINC000195285475 496875633 /nfs/dbraw/zinc/87/56/33/496875633.db2.gz GUJKRKDLDZOFLJ-UHFFFAOYSA-N -1 3 364.405 3.145 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]Cc2ccccc2-n2ccnc2)sc1Cl ZINC000191910901 496929746 /nfs/dbraw/zinc/92/97/46/496929746.db2.gz CRYRGYHARCUAMU-UHFFFAOYSA-N -1 3 367.883 3.374 20 0 FGADHM CC(C)CC(=O)Nc1ccc(-n2c([O-])c(CC(F)(F)F)[nH]c2=O)cc1 ZINC000277909230 496931612 /nfs/dbraw/zinc/93/16/12/496931612.db2.gz BYZUFHZBPCFWPC-LBPRGKRZSA-N -1 3 357.332 3.048 20 0 FGADHM Cc1nn(C)cc1[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000191927602 496934225 /nfs/dbraw/zinc/93/42/25/496934225.db2.gz XDFKJYKTHAIBKM-MRVPVSSYSA-N -1 3 366.245 3.214 20 0 FGADHM CCCCc1nc(C(=O)OCC)c(NC(=O)c2cnc3ccccc3n2)[n-]1 ZINC000191963232 496945082 /nfs/dbraw/zinc/94/50/82/496945082.db2.gz OMFRSPSJRQOQAL-UHFFFAOYSA-N -1 3 367.409 3.125 20 0 FGADHM CCCCc1nc(NC(=O)c2cnc3ccccc3n2)c(C(=O)OCC)[n-]1 ZINC000191963232 496945084 /nfs/dbraw/zinc/94/50/84/496945084.db2.gz OMFRSPSJRQOQAL-UHFFFAOYSA-N -1 3 367.409 3.125 20 0 FGADHM O=C([N-]c1cnns1)C(=O)N[C@H](c1ccccc1)c1cccc(Cl)c1 ZINC000191992415 496956849 /nfs/dbraw/zinc/95/68/49/496956849.db2.gz KQTWJYXAIYFMRW-OAHLLOKOSA-N -1 3 372.837 3.036 20 0 FGADHM Cc1ccc(CS(=O)(=O)[N-]Cc2coc(-c3cccs3)n2)c(F)c1 ZINC000192018071 496964882 /nfs/dbraw/zinc/96/48/82/496964882.db2.gz WKFQJJPWMLHCJO-UHFFFAOYSA-N -1 3 366.439 3.470 20 0 FGADHM CCOC(=O)c1nnc(C2CCN(C(=O)Nc3ccc(C)c(C)c3)CC2)[n-]1 ZINC000277997665 496965897 /nfs/dbraw/zinc/96/58/97/496965897.db2.gz UUCNHXOPZZBLLR-UHFFFAOYSA-N -1 3 371.441 3.010 20 0 FGADHM CCOC(=O)c1nc(C2CCN(C(=O)Nc3ccc(C)c(C)c3)CC2)n[n-]1 ZINC000277997665 496965903 /nfs/dbraw/zinc/96/59/03/496965903.db2.gz UUCNHXOPZZBLLR-UHFFFAOYSA-N -1 3 371.441 3.010 20 0 FGADHM CC[C@H](NC(=O)Cc1noc(-c2cc(OC)ccc2[O-])n1)c1ccccc1 ZINC000278005808 496968388 /nfs/dbraw/zinc/96/83/88/496968388.db2.gz QEMHNJKMAXPYHZ-INIZCTEOSA-N -1 3 367.405 3.261 20 0 FGADHM C[C@H](O)[C@@](C)(CNC(=O)Cc1ccc([O-])cc1Cl)Cc1ccccc1 ZINC000192066007 496983342 /nfs/dbraw/zinc/98/33/42/496983342.db2.gz ROPBBROFFCMMDN-VBKZILBWSA-N -1 3 361.869 3.334 20 0 FGADHM O=C(N[C@H]1CC[C@H](Nc2ccccn2)CC1)c1c[n-]nc1-c1ccccn1 ZINC000572052244 505877683 /nfs/dbraw/zinc/87/76/83/505877683.db2.gz SDSILANRXZXVRP-SHTZXODSSA-N -1 3 362.437 3.020 20 0 FGADHM CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)[N-]c1cnns1 ZINC000192084144 496989952 /nfs/dbraw/zinc/98/99/52/496989952.db2.gz VVVIRDDZWRDBCF-UHFFFAOYSA-N -1 3 373.265 3.221 20 0 FGADHM COc1ccc([O-])c(-c2nc(-c3cccc(CN4CCCC4=O)c3)no2)c1 ZINC000274016370 496993395 /nfs/dbraw/zinc/99/33/95/496993395.db2.gz ZPXNPPXCPTWHHD-UHFFFAOYSA-N -1 3 365.389 3.240 20 0 FGADHM O=C(Nc1cccc(C(=O)NC2CC2)c1)c1cn[n-]c1-c1ccsc1 ZINC000189059160 496993815 /nfs/dbraw/zinc/99/38/15/496993815.db2.gz YMTMTMQYBQGXQR-UHFFFAOYSA-N -1 3 352.419 3.283 20 0 FGADHM O=C(Nc1cccc(C(=O)NC2CC2)c1)c1c[n-]nc1-c1ccsc1 ZINC000189059160 496993820 /nfs/dbraw/zinc/99/38/20/496993820.db2.gz YMTMTMQYBQGXQR-UHFFFAOYSA-N -1 3 352.419 3.283 20 0 FGADHM O=C([N-]c1ncn(C2CCCCC2)n1)c1cn(-c2cccc(Cl)c2)nn1 ZINC000189070818 496998523 /nfs/dbraw/zinc/99/85/23/496998523.db2.gz XMOCVYHCPOILNB-UHFFFAOYSA-N -1 3 371.832 3.270 20 0 FGADHM Cc1ccc(-c2nc(CC(=O)N[C@H](C)c3ccccc3)no2)c([O-])c1C ZINC000278091658 497001385 /nfs/dbraw/zinc/00/13/85/497001385.db2.gz XUIYERVZVGSWRJ-CQSZACIVSA-N -1 3 351.406 3.479 20 0 FGADHM CSc1ccc(S(=O)(=O)[N-]CC(F)(F)C(F)F)cc1Cl ZINC000192133839 497006627 /nfs/dbraw/zinc/00/66/27/497006627.db2.gz YXZHFCWODXUBKC-UHFFFAOYSA-N -1 3 351.774 3.241 20 0 FGADHM Cc1cc(-n2c([O-])c(CC(F)(F)F)[nH]c2=O)cc(C)c1Br ZINC000278147730 497020787 /nfs/dbraw/zinc/02/07/87/497020787.db2.gz OAWROKCSVLQXDJ-VIFPVBQESA-N -1 3 365.149 3.443 20 0 FGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CC[C@@H](C)C(C)(C)C1 ZINC000274125312 497021546 /nfs/dbraw/zinc/02/15/46/497021546.db2.gz BLQAXCOXSFZSIC-CQSZACIVSA-N -1 3 368.481 3.380 20 0 FGADHM 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/nfs/dbraw/zinc/08/90/06/497089006.db2.gz JYXTZLGJFDVADH-ZETCQYMHSA-N -1 3 354.350 3.341 20 0 FGADHM Cc1ccc(C)c([C@H]2CCCN2C(=O)CNC(=O)c2cccc([O-])c2)c1 ZINC000274416671 497093421 /nfs/dbraw/zinc/09/34/21/497093421.db2.gz IBQWOZPCSUVOAH-LJQANCHMSA-N -1 3 352.434 3.103 20 0 FGADHM CCOc1cc(CN2CC[C@H](C)[C@@H](OC)C2)cc(Br)c1[O-] ZINC000230361469 497104879 /nfs/dbraw/zinc/10/48/79/497104879.db2.gz MXTUVIRZSAJZIU-NHYWBVRUSA-N -1 3 358.276 3.410 20 0 FGADHM O=C(CN1CCc2ccccc2C1=O)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000580991547 505885583 /nfs/dbraw/zinc/88/55/83/505885583.db2.gz KMXIJHMZMAQKAI-UHFFFAOYSA-N -1 3 364.323 3.048 20 0 FGADHM Cn1cc([C@@H]([N-]C(=O)c2nc(Cl)ccc2Cl)C(F)(F)F)cn1 ZINC000278455594 497121109 /nfs/dbraw/zinc/12/11/09/497121109.db2.gz YEIYDYGHMVGQHA-SNVBAGLBSA-N -1 3 353.131 3.155 20 0 FGADHM CCc1c([N-]S(=O)(=O)C2CC2)cnn1-c1cccc(C(F)(F)F)c1 ZINC000189452186 497121263 /nfs/dbraw/zinc/12/12/63/497121263.db2.gz XRCNVPGBKNGIKO-UHFFFAOYSA-N -1 3 359.373 3.358 20 0 FGADHM CCOc1ccc(NC([O-])=NO[C@@H]2CCCCO2)cc1Br ZINC000189486671 497133673 /nfs/dbraw/zinc/13/36/73/497133673.db2.gz NWHKIDGMBPYPSR-CYBMUJFWSA-N -1 3 359.220 3.428 20 0 FGADHM CCOc1ccc(NC(=O)[N-]O[C@@H]2CCCCO2)cc1Br ZINC000189486671 497133677 /nfs/dbraw/zinc/13/36/77/497133677.db2.gz NWHKIDGMBPYPSR-CYBMUJFWSA-N -1 3 359.220 3.428 20 0 FGADHM CCCOc1ccc(S(=O)(=O)[N-]c2cccc([S@](C)=O)c2)cc1 ZINC000265607303 497146998 /nfs/dbraw/zinc/14/69/98/497146998.db2.gz VZPNBSVAWXYTJF-QFIPXVFZSA-N -1 3 353.465 3.014 20 0 FGADHM CCCS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc3c(c2)CCCN3)cc1 ZINC000236820447 497151383 /nfs/dbraw/zinc/15/13/83/497151383.db2.gz GOAAPPCUFGTGPX-UHFFFAOYSA-N -1 3 373.478 3.449 20 0 FGADHM Cc1nc2sccc2c(=O)n1[N-]C(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000278603543 497164814 /nfs/dbraw/zinc/16/48/14/497164814.db2.gz VJPRPRSXMVXWCY-NXEZZACHSA-N -1 3 365.867 3.355 20 0 FGADHM [O-]C(=NO[C@H]1CCCCO1)Nc1ccc(OC(F)F)c2cccnc12 ZINC000274875390 497187740 /nfs/dbraw/zinc/18/77/40/497187740.db2.gz XGXZTSIKSAXQTE-ZDUSSCGKSA-N -1 3 353.325 3.416 20 0 FGADHM O=C([N-]O[C@H]1CCCCO1)Nc1ccc(OC(F)F)c2cccnc12 ZINC000274875390 497187744 /nfs/dbraw/zinc/18/77/44/497187744.db2.gz XGXZTSIKSAXQTE-ZDUSSCGKSA-N -1 3 353.325 3.416 20 0 FGADHM COc1ccccc1COC1CCN([C@H](C)c2nc(C)cc(=O)[n-]2)CC1 ZINC000192718648 497195108 /nfs/dbraw/zinc/19/51/08/497195108.db2.gz PUSZSWSPESHXBC-OAHLLOKOSA-N -1 3 357.454 3.241 20 0 FGADHM COc1ccc(Cn2ccc(NC(=O)Cc3ccc([O-])cc3Cl)n2)cc1 ZINC000189670144 497204246 /nfs/dbraw/zinc/20/42/46/497204246.db2.gz JUAFGSCQMKLEDS-UHFFFAOYSA-N -1 3 371.824 3.480 20 0 FGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@H](C)Cc1ccccc1C ZINC000189669551 497204614 /nfs/dbraw/zinc/20/46/14/497204614.db2.gz WUWRWLACNZABRK-CYBMUJFWSA-N -1 3 367.492 3.061 20 0 FGADHM COc1ccc(SCCC(=O)[N-]OCCC(F)(F)F)cc1OC ZINC000275028585 497221880 /nfs/dbraw/zinc/22/18/80/497221880.db2.gz BVKXKSRXKIIXFF-UHFFFAOYSA-N -1 3 353.362 3.186 20 0 FGADHM CCn1ncc2c1nc(-c1ccccc1)cc2C(=O)Nc1ncccc1[O-] ZINC000192821480 497222826 /nfs/dbraw/zinc/22/28/26/497222826.db2.gz QKKLTAFROHTQBJ-UHFFFAOYSA-N -1 3 359.389 3.471 20 0 FGADHM O=C([N-]OC[C@H]1CCOC1)Nc1cccc(-c2ccc3c(c2)CCO3)c1 ZINC000189759987 497235591 /nfs/dbraw/zinc/23/55/91/497235591.db2.gz SAQNXXJOGPZBBQ-AWEZNQCLSA-N -1 3 354.406 3.378 20 0 FGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H](C)c1nc(C)cs1 ZINC000278903170 497261364 /nfs/dbraw/zinc/26/13/64/497261364.db2.gz YTIDMDOZKWXSSL-SECBINFHSA-N -1 3 360.888 3.196 20 0 FGADHM Cc1ccc([O-])c(CN2CC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)n1 ZINC000581039430 505895935 /nfs/dbraw/zinc/89/59/35/505895935.db2.gz RJQAIAPTCRWVJI-CYBMUJFWSA-N -1 3 353.344 3.163 20 0 FGADHM CC[C@H](C(=O)Nc1ccc(F)c([N-]S(C)(=O)=O)c1)c1ccccc1 ZINC000193237044 497329925 /nfs/dbraw/zinc/32/99/25/497329925.db2.gz GBUCWOXLGJYTIF-AWEZNQCLSA-N -1 3 350.415 3.330 20 0 FGADHM CN(Cc1cc(Br)ccc1F)C(=O)c1ccc(O)cc1[O-] ZINC000193274393 497339651 /nfs/dbraw/zinc/33/96/51/497339651.db2.gz BQKCEEOAFWKANV-UHFFFAOYSA-N -1 3 354.175 3.272 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N[C@@H]3[C@@H]4CCO[C@H]4C34CCC4)c[n-]c12 ZINC000253555396 497341892 /nfs/dbraw/zinc/34/18/92/497341892.db2.gz FUVONMJFPFAREE-JBBXEZCESA-N -1 3 356.397 3.075 20 0 FGADHM Cn1cc(C(=O)N=c2cc(-c3cc(F)cc(F)c3)[n-][nH]2)c(C2CCC2)n1 ZINC000581058954 505900800 /nfs/dbraw/zinc/90/08/00/505900800.db2.gz MRAHOZBONZWJBT-UHFFFAOYSA-N -1 3 357.364 3.030 20 0 FGADHM Cc1cc(S(=O)(=O)[N-][C@H]2CCCc3cc(N)ccc32)c(F)cc1F ZINC000193393241 497368192 /nfs/dbraw/zinc/36/81/92/497368192.db2.gz PVRMJPOIUDALKM-INIZCTEOSA-N -1 3 352.406 3.211 20 0 FGADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3noc4c3C[C@H](C)CC4)cc2)n1 ZINC000578282088 505903587 /nfs/dbraw/zinc/90/35/87/505903587.db2.gz UJWSOPWHMXTAJF-LLVKDONJSA-N -1 3 364.405 3.110 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CCC[C@H](C)C2)c1 ZINC000193476445 497389988 /nfs/dbraw/zinc/38/99/88/497389988.db2.gz JUBHMAQLSANSLD-WCQYABFASA-N -1 3 357.410 3.249 20 0 FGADHM C[C@H](c1ccccc1)[C@H](C)NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000245423150 497397762 /nfs/dbraw/zinc/39/77/62/497397762.db2.gz AVODLDHLLSXYQF-TXPKVOOTSA-N -1 3 366.461 3.305 20 0 FGADHM CN(C)CCc1ccccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000275672937 497400366 /nfs/dbraw/zinc/40/03/66/497400366.db2.gz GELMTPLMCNOYLI-UHFFFAOYSA-N -1 3 373.400 3.005 20 0 FGADHM Cc1ccc([O-])c(C(=O)N2CCC3(C[C@@H]3N(C)Cc3nccs3)CC2)c1 ZINC000275695949 497405914 /nfs/dbraw/zinc/40/59/14/497405914.db2.gz NCWXXSWRARHXPS-KRWDZBQOSA-N -1 3 371.506 3.284 20 0 FGADHM COC(=O)c1cnc(SCC(=O)N[C@H](c2ccccc2)C2CCCC2)[n-]1 ZINC000193554193 497411423 /nfs/dbraw/zinc/41/14/23/497411423.db2.gz NNXCORWPXBJVRA-QGZVFWFLSA-N -1 3 373.478 3.336 20 0 FGADHM Cc1ccc(NC(=O)CN2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])c(Cl)c1 ZINC000261600053 497417248 /nfs/dbraw/zinc/41/72/48/497417248.db2.gz AXSVJBNEWBQGML-MAZHCROVSA-N -1 3 350.846 3.305 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1cccc2c1OCO2)c1nc(C(C)(C)C)cs1 ZINC000575020702 505906435 /nfs/dbraw/zinc/90/64/35/505906435.db2.gz PJIQQGMHDBYTRU-SNVBAGLBSA-N -1 3 368.480 3.209 20 0 FGADHM CC(C)[C@H]1CC[C@H](C(=O)Nc2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)CC1 ZINC000245502961 497432071 /nfs/dbraw/zinc/43/20/71/497432071.db2.gz CHJGXMJBSPEDCZ-ARGWCVDVSA-N -1 3 357.454 3.142 20 0 FGADHM CCn1ccnc1[C@@H](C)NC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000578295531 505907109 /nfs/dbraw/zinc/90/71/09/505907109.db2.gz NQXYVMJBIGFFON-GFCCVEGCSA-N -1 3 366.425 3.257 20 0 FGADHM COc1ccc(N[C@H](C)[C@H](OC)c2ccccc2)cc1[N-]S(C)(=O)=O ZINC000279483279 497451218 /nfs/dbraw/zinc/45/12/18/497451218.db2.gz KYBNZLSUCAIBPI-ACJLOTCBSA-N -1 3 364.467 3.255 20 0 FGADHM O=C(c1cc([O-])ccc1Cl)N1CCN(CCc2cccs2)CC1 ZINC000575031676 505907932 /nfs/dbraw/zinc/90/79/32/505907932.db2.gz TUVPNRMQIPKVPT-UHFFFAOYSA-N -1 3 350.871 3.108 20 0 FGADHM O=C(CN1CCSC1=O)[N-]c1cc(-c2ccc(OC(F)F)cc2)no1 ZINC000267062558 497478126 /nfs/dbraw/zinc/47/81/26/497478126.db2.gz ADZKFNHSOBHNAH-UHFFFAOYSA-N -1 3 369.349 3.050 20 0 FGADHM COc1cc(S(=O)(=O)[N-][C@H]2CCC[C@@H](C(F)(F)F)C2)ccc1F ZINC000190490538 497503104 /nfs/dbraw/zinc/50/31/04/497503104.db2.gz YCTFNHLSFQIRBN-ZJUUUORDSA-N -1 3 355.353 3.234 20 0 FGADHM C[C@H](C(=O)N[C@@H](C)c1cc2ccccc2o1)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000262116473 497510524 /nfs/dbraw/zinc/51/05/24/497510524.db2.gz JENORGRKYKCHMN-GUUAHRICSA-N -1 3 370.449 3.185 20 0 FGADHM C[C@@H]1COCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000572195442 505911460 /nfs/dbraw/zinc/91/14/60/505911460.db2.gz IBXLSFRMUISKLF-IUODEOHRSA-N -1 3 373.902 3.222 20 0 FGADHM CCCC(=O)N1CCC[C@@H](C(=O)Nc2cc(Br)ccc2[O-])C1 ZINC000267301831 497520162 /nfs/dbraw/zinc/52/01/62/497520162.db2.gz AHWWLCFRKLDTKF-LLVKDONJSA-N -1 3 369.259 3.132 20 0 FGADHM COCCOc1ccc(F)cc1S(=O)(=O)[N-][C@@H](C)c1ccc(C)cc1 ZINC000190543473 497522717 /nfs/dbraw/zinc/52/27/17/497522717.db2.gz GGABCLVIDIVQHT-AWEZNQCLSA-N -1 3 367.442 3.199 20 0 FGADHM C[C@H]1Oc2ccccc2[C@H]1[N-]S(=O)(=O)c1ccc2c(c1)CC(C)(C)O2 ZINC000572200326 505912361 /nfs/dbraw/zinc/91/23/61/505912361.db2.gz SWTGPJOYQCOVKD-XIKOKIGWSA-N -1 3 359.447 3.201 20 0 FGADHM CCc1ccc(C(=O)Nc2cc(C(=O)N3CCCC3)ccc2OC)c([O-])c1 ZINC000190570865 497532180 /nfs/dbraw/zinc/53/21/80/497532180.db2.gz ZSYMDAWCAVJVQH-UHFFFAOYSA-N -1 3 368.433 3.452 20 0 FGADHM Cc1cccc2nc(CN3CCC(C(=O)Nc4ccccc4[O-])CC3)cn21 ZINC000193956027 497532217 /nfs/dbraw/zinc/53/22/17/497532217.db2.gz BTNHNJRFBGYGDQ-UHFFFAOYSA-N -1 3 364.449 3.199 20 0 FGADHM O=C(c1c[n-]c2ccc(Br)cc2c1=O)N1CC2(C1)CCCC2 ZINC000572204036 505913263 /nfs/dbraw/zinc/91/32/63/505913263.db2.gz SMSVQUWNHGRJKQ-UHFFFAOYSA-N -1 3 361.239 3.307 20 0 FGADHM Cc1c(NC(=O)[N-]OC[C@H]2CCOC2)cccc1C(=O)Nc1ccccc1 ZINC000276333981 497547235 /nfs/dbraw/zinc/54/72/35/497547235.db2.gz GAAALGJNSINOJU-HNNXBMFYSA-N -1 3 369.421 3.337 20 0 FGADHM Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)[N-]OC[C@@H]1CCOC1 ZINC000276379842 497558532 /nfs/dbraw/zinc/55/85/32/497558532.db2.gz LBFKLGMIIXQOEC-OAHLLOKOSA-N -1 3 369.421 3.337 20 0 FGADHM CN(C(=O)c1cccc(NC(=O)[N-]OC[C@H]2CCOC2)c1)c1ccccc1 ZINC000276459770 497580313 /nfs/dbraw/zinc/58/03/13/497580313.db2.gz XDILBUHAUQFFLP-HNNXBMFYSA-N -1 3 369.421 3.053 20 0 FGADHM CC(C)([N-]S(C)(=O)=O)c1nc(C(c2ccccc2)c2ccccc2)no1 ZINC000267576499 497581124 /nfs/dbraw/zinc/58/11/24/497581124.db2.gz PNTWRIXBBJBYLL-UHFFFAOYSA-N -1 3 371.462 3.034 20 0 FGADHM O=C(c1ccc([O-])cc1)N1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[C@H]3C2)CC1 ZINC000245956414 497583110 /nfs/dbraw/zinc/58/31/10/497583110.db2.gz WQQYECQAIXIVJM-NZSAHSFTSA-N -1 3 370.493 3.283 20 0 FGADHM CC(C)OCCOCc1cccc(NC([O-])=NOCc2cccnc2)c1 ZINC000272312368 497592888 /nfs/dbraw/zinc/59/28/88/497592888.db2.gz GKQKMOVFDZRRSF-UHFFFAOYSA-N -1 3 359.426 3.277 20 0 FGADHM CC(C)OCCOCc1cccc(NC(=O)[N-]OCc2cccnc2)c1 ZINC000272312368 497592895 /nfs/dbraw/zinc/59/28/95/497592895.db2.gz GKQKMOVFDZRRSF-UHFFFAOYSA-N -1 3 359.426 3.277 20 0 FGADHM COc1cc(S(=O)(=O)[N-]c2ccc(OCC3CC3)cc2)ccc1F ZINC000190772693 497599459 /nfs/dbraw/zinc/59/94/59/497599459.db2.gz BBYJYBNCKHFUBZ-UHFFFAOYSA-N -1 3 351.399 3.424 20 0 FGADHM CC(=O)N(CC(=O)[O-])[C@H]1CCCN([C@@H](C)c2cccc(Cl)c2)CC1 ZINC000262787979 497621472 /nfs/dbraw/zinc/62/14/72/497621472.db2.gz MTCXHCNVZDUQNB-GUYCJALGSA-N -1 3 352.862 3.189 20 0 FGADHM Cc1cccnc1C(F)(F)C(=O)[N-]C[C@@H](O)c1c(F)cccc1Cl ZINC000280039775 497628347 /nfs/dbraw/zinc/62/83/47/497628347.db2.gz ZJHXCKKPNMSABY-GFCCVEGCSA-N -1 3 358.747 3.124 20 0 FGADHM Cc1cc(C(=O)N[C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)ccc1[O-] ZINC000272453038 497632742 /nfs/dbraw/zinc/63/27/42/497632742.db2.gz NRPDXHXQUDRIPT-ZDUSSCGKSA-N -1 3 353.422 3.476 20 0 FGADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCC(Oc2ccc(F)nc2)CC1 ZINC000276747647 497642841 /nfs/dbraw/zinc/64/28/41/497642841.db2.gz FIBGEPAZARREBJ-UHFFFAOYSA-N -1 3 367.380 3.158 20 0 FGADHM C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)c1ccc(Br)c([O-])c1 ZINC000246282771 497682794 /nfs/dbraw/zinc/68/27/94/497682794.db2.gz NUBPXZYJVHEVRX-NEPJUHHUSA-N -1 3 355.276 3.005 20 0 FGADHM CC(C)C[C@@H](CNCc1cn(-c2ccc(Cl)c(Cl)c2)nn1)C(=O)[O-] ZINC000263007603 497680338 /nfs/dbraw/zinc/68/03/38/497680338.db2.gz AZSOINDKDRUYNN-NSHDSACASA-N -1 3 371.268 3.411 20 0 FGADHM O=C(Nc1ccccc1[O-])C1CCN(C(=O)N[C@@H]2CCC[C@H](F)C2)CC1 ZINC000572238211 505922681 /nfs/dbraw/zinc/92/26/81/505922681.db2.gz HDIJVALYORLTEM-LSDHHAIUSA-N -1 3 363.433 3.033 20 0 FGADHM CCN(C(=O)CN1CCC[C@@H](CCC(=O)[O-])C1)[C@@H](C)c1ccc(F)cc1 ZINC000263042589 497689627 /nfs/dbraw/zinc/68/96/27/497689627.db2.gz COHHUHSOKLCCHY-HOTGVXAUSA-N -1 3 364.461 3.312 20 0 FGADHM COc1ccc(OCc2ccccn2)c(CN2C[C@@H](C)C[C@H](C(=O)[O-])C2)c1 ZINC000263050151 497691157 /nfs/dbraw/zinc/69/11/57/497691157.db2.gz KRDVGFDMVPLREO-RDJZCZTQSA-N -1 3 370.449 3.212 20 0 FGADHM O=C([N-]c1nnc(-c2ccccn2)s1)c1ccncc1C(F)(F)F ZINC000194551578 497702765 /nfs/dbraw/zinc/70/27/65/497702765.db2.gz YDKHEPXBECUIGT-UHFFFAOYSA-N -1 3 351.313 3.266 20 0 FGADHM CCC(CC)(CNCc1cc(O)c(OC)cc1Br)C(=O)[O-] ZINC000263092146 497703481 /nfs/dbraw/zinc/70/34/81/497703481.db2.gz UMTGOKHANDKMAJ-UHFFFAOYSA-N -1 3 360.248 3.144 20 0 FGADHM COc1cc(C[NH2+]C[C@H](CC(=O)[O-])CC(C)C)cc(Br)c1[O-] ZINC000276973173 497703728 /nfs/dbraw/zinc/70/37/28/497703728.db2.gz HFSLLNVNYAYRMJ-NSHDSACASA-N -1 3 374.275 3.390 20 0 FGADHM O=C(Nc1ccnc(N2CCc3ccccc3C2)c1)c1ccc2n[n-]nc2c1 ZINC000569393266 505924204 /nfs/dbraw/zinc/92/42/04/505924204.db2.gz XZNGXHQCXWAMJJ-UHFFFAOYSA-N -1 3 370.416 3.168 20 0 FGADHM CC[C@@H]1c2ccsc2CCN1C(=O)CN1CCC[C@H](CCC(=O)[O-])C1 ZINC000263101138 497705520 /nfs/dbraw/zinc/70/55/20/497705520.db2.gz JXYDVNHCPSECOI-GDBMZVCRSA-N -1 3 364.511 3.161 20 0 FGADHM Cc1nc(CCCNCc2c(Cl)n(C)nc2C(C)C)sc1C(=O)[O-] ZINC000276990050 497709352 /nfs/dbraw/zinc/70/93/52/497709352.db2.gz JQGOOLIBRPKPOE-UHFFFAOYSA-N -1 3 370.906 3.382 20 0 FGADHM CCn1nc(CNC[C@@H](Cc2ccccc2OC)C(=O)[O-])c2ccccc21 ZINC000277142353 497754090 /nfs/dbraw/zinc/75/40/90/497754090.db2.gz CCUJLGCJXSGZSW-MRXNPFEDSA-N -1 3 367.449 3.098 20 0 FGADHM C[C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000263306317 497754164 /nfs/dbraw/zinc/75/41/64/497754164.db2.gz HHNVTKFPJKGNGW-ZRGWGRIASA-N -1 3 368.433 3.458 20 0 FGADHM COCc1nc(SCC(=O)N(Cc2ccco2)C2=CCCCC2)n[n-]1 ZINC000268455688 497754871 /nfs/dbraw/zinc/75/48/71/497754871.db2.gz BJSBTDQATPXUJQ-UHFFFAOYSA-N -1 3 362.455 3.123 20 0 FGADHM COCc1nc(S[C@H](C)C(=O)N[C@@H](C)c2ccc3ccccc3c2)n[n-]1 ZINC000268458536 497756074 /nfs/dbraw/zinc/75/60/74/497756074.db2.gz CZSMDBUTJFQGCB-QWHCGFSZSA-N -1 3 370.478 3.462 20 0 FGADHM COCc1nc(SCC(=O)N[C@@H](c2cccs2)C(C)(C)C)n[n-]1 ZINC000268480771 497760988 /nfs/dbraw/zinc/76/09/88/497760988.db2.gz KWYJYDLAVYKMSK-ZDUSSCGKSA-N -1 3 354.501 3.008 20 0 FGADHM COc1cccc(CSC[C@H](NCc2cccc(F)c2F)C(=O)[O-])c1 ZINC000277200837 497774348 /nfs/dbraw/zinc/77/43/48/497774348.db2.gz GOOKCQOSFAVFCS-INIZCTEOSA-N -1 3 367.417 3.450 20 0 FGADHM Cc1cccnc1C(F)(F)C(=O)[N-]C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000194820861 497782209 /nfs/dbraw/zinc/78/22/09/497782209.db2.gz YGBUAZHQSFNNTN-CYBMUJFWSA-N -1 3 358.747 3.124 20 0 FGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)C[C@H]2CCO[C@@H](C(C)C)C2)c1 ZINC000273052287 497791828 /nfs/dbraw/zinc/79/18/28/497791828.db2.gz VLWAWJAIHUWBMZ-WMLDXEAASA-N -1 3 368.499 3.146 20 0 FGADHM CC(=O)N(C)C1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CC1 ZINC000263679222 497807929 /nfs/dbraw/zinc/80/79/29/497807929.db2.gz MYJUFHLXPXZRDZ-UHFFFAOYSA-N -1 3 366.461 3.066 20 0 FGADHM C[C@@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)c1ccc([O-])c(Cl)c1 ZINC000246891668 497819053 /nfs/dbraw/zinc/81/90/53/497819053.db2.gz GOUDZUOSUZGHJQ-CXAGYDPISA-N -1 3 359.857 3.081 20 0 FGADHM CC(C)c1noc(Cc2ccc(NC(=O)Cc3cncc([O-])c3)cc2)n1 ZINC000581199463 505932363 /nfs/dbraw/zinc/93/23/63/505932363.db2.gz ITMIGJQLRXGBGK-UHFFFAOYSA-N -1 3 352.394 3.066 20 0 FGADHM COc1ccc2[nH]cc(C3CCN(C(=O)c4csc(=O)[n-]4)CC3)c2c1 ZINC000364193620 497834718 /nfs/dbraw/zinc/83/47/18/497834718.db2.gz XDXMJOFRQDICHZ-UHFFFAOYSA-N -1 3 357.435 3.358 20 0 FGADHM Cc1ccc(NC(=O)[C@@H](C)N2C[C@H](C(=O)[O-])[C@@H](c3ccccc3)C2)cc1F ZINC000572284866 505933561 /nfs/dbraw/zinc/93/35/61/505933561.db2.gz IHXWFGXKMHMGEE-OLMNPRSZSA-N -1 3 370.424 3.261 20 0 FGADHM CCc1cc(C(=O)N2CCC[C@H](C3N=NC(=S)N3C3CC3)C2)ccc1[O-] ZINC000292010495 497837963 /nfs/dbraw/zinc/83/79/63/497837963.db2.gz UKDAQRGBXDBWCQ-AWEZNQCLSA-N -1 3 372.494 3.190 20 0 FGADHM Cc1ccc2[n-]cc(C(=O)N3CC4(CCOCC4)[C@H]3C(C)C)c(=O)c2c1 ZINC000333984253 497837984 /nfs/dbraw/zinc/83/79/84/497837984.db2.gz FIQYVYALYFPQIA-LJQANCHMSA-N -1 3 354.450 3.114 20 0 FGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)NCC1=CCCCC1 ZINC000295880007 497840440 /nfs/dbraw/zinc/84/04/40/497840440.db2.gz VRFFKBYYIJTGSL-UHFFFAOYSA-N -1 3 352.438 3.102 20 0 FGADHM O=C([O-])c1ccccc1OCCN1CCCC[C@@H]1[C@@H](O)c1ccccc1 ZINC000364238023 497855242 /nfs/dbraw/zinc/85/52/42/497855242.db2.gz CPUOATSKEDZZKJ-QUCCMNQESA-N -1 3 355.434 3.352 20 0 FGADHM COc1cccc(-c2nc(CS(=O)(=O)c3nc(C)c(C)[n-]3)cs2)c1 ZINC000295931422 497857532 /nfs/dbraw/zinc/85/75/32/497857532.db2.gz NNUOKAHFLJRWMB-UHFFFAOYSA-N -1 3 363.464 3.133 20 0 FGADHM COc1ccccc1NC1CCN(CCOc2ccccc2C(=O)[O-])CC1 ZINC000364256690 497864554 /nfs/dbraw/zinc/86/45/54/497864554.db2.gz AIUANQFFYTWHDI-UHFFFAOYSA-N -1 3 370.449 3.349 20 0 FGADHM C[C@H](CNc1c(C(=O)[O-])cnc2ccccc21)N1CCc2sccc2C1 ZINC000575184879 505938509 /nfs/dbraw/zinc/93/85/09/505938509.db2.gz DWQLNPBOQATJFF-CYBMUJFWSA-N -1 3 367.474 3.275 20 0 FGADHM Cc1ccc([C@H](CNC(=O)c2c(F)ccc([O-])c2F)N2CCCC2)o1 ZINC000280730039 497874865 /nfs/dbraw/zinc/87/48/65/497874865.db2.gz IFLSMHNLMKDLGF-ZDUSSCGKSA-N -1 3 350.365 3.139 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H](C3CC3)C2)c1 ZINC000292111643 497882871 /nfs/dbraw/zinc/88/28/71/497882871.db2.gz PMNNILZBEOYETC-AWEZNQCLSA-N -1 3 369.421 3.203 20 0 FGADHM Cn1cc(C(=O)N=c2cc3ccccn3[n-]2)c(-c2ccc(Cl)s2)n1 ZINC000581244324 505942460 /nfs/dbraw/zinc/94/24/60/505942460.db2.gz VLSVHVDDVJFLPY-UHFFFAOYSA-N -1 3 357.826 3.124 20 0 FGADHM Cc1cccc2c(=O)c(C(=O)N3CC(C)(C)[C@@H]3c3nccn3C)c[n-]c12 ZINC000296025910 497895017 /nfs/dbraw/zinc/89/50/17/497895017.db2.gz XNDVIMYSRNHRBL-KRWDZBQOSA-N -1 3 350.422 3.206 20 0 FGADHM CC[C@@H](NCc1nc(=O)c2sccc2[n-]1)c1ccc2c(c1)OCCO2 ZINC000299691438 497896837 /nfs/dbraw/zinc/89/68/37/497896837.db2.gz NVGHMFMTPFNMSM-GFCCVEGCSA-N -1 3 357.435 3.409 20 0 FGADHM CCCNC(=O)OC[C@H]1CCCCN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000288815019 497908939 /nfs/dbraw/zinc/90/89/39/497908939.db2.gz UQIDVCMNFHBHKZ-CQSZACIVSA-N -1 3 371.437 3.071 20 0 FGADHM O=S(=O)([N-]c1c(Cl)cc(F)cc1Cl)c1cn2c(n1)CCCC2 ZINC000364373832 497926805 /nfs/dbraw/zinc/92/68/05/497926805.db2.gz SNKABQNAGXKIPJ-UHFFFAOYSA-N -1 3 364.229 3.466 20 0 FGADHM O=C(Cc1cncc([O-])c1)N1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000569500282 505949554 /nfs/dbraw/zinc/94/95/54/505949554.db2.gz CIIDXNFTLQLXSA-ZDUSSCGKSA-N -1 3 355.369 3.016 20 0 FGADHM O=c1[nH]cccc1[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000578480310 505949806 /nfs/dbraw/zinc/94/98/06/505949806.db2.gz REDMAXUUHOIECU-UHFFFAOYSA-N -1 3 363.620 3.004 20 0 FGADHM 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/nfs/dbraw/zinc/95/77/85/505957785.db2.gz MZUVBGXDEZTWDF-UHFFFAOYSA-N -1 3 357.211 3.056 20 0 FGADHM CC[C@@H]1CCCC[C@H]1c1noc(-c2cncc([N-]S(C)(=O)=O)c2)n1 ZINC000349732880 498006060 /nfs/dbraw/zinc/00/60/60/498006060.db2.gz OSSXCHOJGVQNQC-BXUZGUMPSA-N -1 3 350.444 3.187 20 0 FGADHM C[C@H]1C[C@@H](O)CCN1Cc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000292459088 498023734 /nfs/dbraw/zinc/02/37/34/498023734.db2.gz QHBSGERMSYVUNR-JSGCOSHPSA-N -1 3 355.463 3.409 20 0 FGADHM CC(=O)c1ccc(C(=O)N2CC[C@@H](C)[C@@H](C(=O)OC(C)(C)C)C2)cc1[O-] ZINC000569579404 505969661 /nfs/dbraw/zinc/96/96/61/505969661.db2.gz KLJPCCALJRIPBQ-WBMJQRKESA-N -1 3 361.438 3.035 20 0 FGADHM O=C([O-])c1cn([C@@H]2CCCN(C(c3ccccc3)c3ccccc3)C2)nn1 ZINC000581316113 505959057 /nfs/dbraw/zinc/95/90/57/505959057.db2.gz HRSRCROBVLVIHJ-GOSISDBHSA-N -1 3 362.433 3.403 20 0 FGADHM CC[C@H](C)[C@H]([N-]S(=O)(=O)c1cc(NC(C)=O)ccc1C)C(F)(F)F ZINC000572447811 505971257 /nfs/dbraw/zinc/97/12/57/505971257.db2.gz SEKCOQRFKNTTJS-XPTSAGLGSA-N -1 3 366.405 3.209 20 0 FGADHM CC(C)(C)Sc1ccc(NC(=O)C(=O)[N-]c2cnns2)cc1F ZINC000296508404 498071547 /nfs/dbraw/zinc/07/15/47/498071547.db2.gz LXCKOXWAQOKOQV-UHFFFAOYSA-N -1 3 354.432 3.145 20 0 FGADHM CCCOc1cn(-c2ccccc2)nc1C(=O)[N-]c1nnc(C)n1C1CC1 ZINC000285433235 498082906 /nfs/dbraw/zinc/08/29/06/498082906.db2.gz ORTPJLJRUSKPHK-UHFFFAOYSA-N -1 3 366.425 3.148 20 0 FGADHM O=C(NCc1nc(-c2cccs2)no1)c1cc([O-])ccc1C(F)(F)F ZINC000575433199 505975984 /nfs/dbraw/zinc/97/59/84/505975984.db2.gz IVXGBKJTNRQQFT-UHFFFAOYSA-N -1 3 369.324 3.453 20 0 FGADHM O=C(Cc1ccc(Br)cc1[O-])Nc1ccc(-c2ncon2)cc1 ZINC000575435116 505976272 /nfs/dbraw/zinc/97/62/72/505976272.db2.gz AVSSQXIASIVAEE-UHFFFAOYSA-N -1 3 374.194 3.386 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N3CC=C(c4cccnc4)CC3)c[n-]c12 ZINC000364685813 498089824 /nfs/dbraw/zinc/08/98/24/498089824.db2.gz IYOYHGGIHBWKLY-UHFFFAOYSA-N -1 3 363.392 3.300 20 0 FGADHM CSC[C@H]1CCCN(C(=O)NCc2ccc([O-])c(Br)c2)C1 ZINC000292643420 498091031 /nfs/dbraw/zinc/09/10/31/498091031.db2.gz PWGZCZXPTZKSPQ-LBPRGKRZSA-N -1 3 373.316 3.439 20 0 FGADHM CC(C)(CO)ON=C([O-])Nc1ccc(OCc2cccc(F)c2)c(F)c1 ZINC000296551270 498090951 /nfs/dbraw/zinc/09/09/51/498090951.db2.gz RDLJQLISACHUAJ-UHFFFAOYSA-N -1 3 366.364 3.368 20 0 FGADHM CC(C)(CO)O[N-]C(=O)Nc1ccc(OCc2cccc(F)c2)c(F)c1 ZINC000296551270 498090959 /nfs/dbraw/zinc/09/09/59/498090959.db2.gz RDLJQLISACHUAJ-UHFFFAOYSA-N -1 3 366.364 3.368 20 0 FGADHM CCN1CCC[C@@H]1C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000301456074 498118650 /nfs/dbraw/zinc/11/86/50/498118650.db2.gz JDLNAUZHXCAOEU-LLVKDONJSA-N -1 3 370.824 3.121 20 0 FGADHM COc1cc(-c2noc(-c3ccc([O-])cc3F)n2)ccc1OCCN(C)C ZINC000350580930 498118897 /nfs/dbraw/zinc/11/88/97/498118897.db2.gz LMDKUDYJGCPPJN-UHFFFAOYSA-N -1 3 373.384 3.197 20 0 FGADHM Cc1ccc2c(ncc(C(=O)[O-])c2N[C@@H]2CCOC3(CCOCC3)C2)c1C ZINC000572487150 505981495 /nfs/dbraw/zinc/98/14/95/505981495.db2.gz YIAGTLHLLHHHCJ-OAHLLOKOSA-N -1 3 370.449 3.112 20 0 FGADHM Cc1ccc(-c2cc(-c3nc(-c4cccc(N5CCC5=O)c4)no3)n[n-]2)o1 ZINC000350585449 498119914 /nfs/dbraw/zinc/11/99/14/498119914.db2.gz YREUTXQXAUUPAK-UHFFFAOYSA-N -1 3 361.361 3.432 20 0 FGADHM Cc1ccc(-c2cc(-c3nc(-c4cccc(N5CCC5=O)c4)no3)[n-]n2)o1 ZINC000350585449 498119921 /nfs/dbraw/zinc/11/99/21/498119921.db2.gz YREUTXQXAUUPAK-UHFFFAOYSA-N -1 3 361.361 3.432 20 0 FGADHM CCOc1cccc(S(=O)(=O)[N-][C@H](c2nccs2)C(F)(F)F)c1 ZINC000292744248 498130227 /nfs/dbraw/zinc/13/02/27/498130227.db2.gz HMJZULTWYFIRNQ-LLVKDONJSA-N -1 3 366.386 3.124 20 0 FGADHM O=C(c1cc(=O)c2ccccc2[n-]1)N(Cc1ccco1)C[C@@H]1CCCO1 ZINC000292761757 498137595 /nfs/dbraw/zinc/13/75/95/498137595.db2.gz RQXCIHYRFOTXEX-HNNXBMFYSA-N -1 3 352.390 3.355 20 0 FGADHM COc1cc(C(=O)NC[C@H]2CCCN(c3ccccc3)C2)cc(OC)c1[O-] ZINC000364781278 498139447 /nfs/dbraw/zinc/13/94/47/498139447.db2.gz SMZLUGDCEUGCJQ-OAHLLOKOSA-N -1 3 370.449 3.056 20 0 FGADHM CS(=O)(=O)[N-]c1cc(-c2nc(-c3ccc(Cl)o3)no2)ccc1F ZINC000350911219 498150479 /nfs/dbraw/zinc/15/04/79/498150479.db2.gz WYNVOWBCOOHPQC-UHFFFAOYSA-N -1 3 357.750 3.161 20 0 FGADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1Cc1nc(-c2ccc(Cl)o2)no1 ZINC000350917827 498151371 /nfs/dbraw/zinc/15/13/71/498151371.db2.gz UAPXAMDKVOPDKQ-UHFFFAOYSA-N -1 3 369.768 3.440 20 0 FGADHM COc1cc(C(=O)Nc2ccc(Cl)c(CN(C)C)c2)cc(OC)c1[O-] ZINC000281475333 498163657 /nfs/dbraw/zinc/16/36/57/498163657.db2.gz GLVZWOIHVDAVDG-UHFFFAOYSA-N -1 3 364.829 3.377 20 0 FGADHM Cc1nc([C@@H](C)[N-]S(=O)(=O)c2ccc(Br)s2)cs1 ZINC000330653685 498168191 /nfs/dbraw/zinc/16/81/91/498168191.db2.gz RSXJMTNLFHRKMF-ZCFIWIBFSA-N -1 3 367.315 3.315 20 0 FGADHM CC(F)(F)CC[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000296889095 498238536 /nfs/dbraw/zinc/23/85/36/498238536.db2.gz DFFBXRGGXUKQKM-UHFFFAOYSA-N -1 3 362.623 3.426 20 0 FGADHM NC(=O)Cc1ccc(-c2noc(-c3cc([O-])ccc3C(F)(F)F)n2)cc1 ZINC000578677685 505995082 /nfs/dbraw/zinc/99/50/82/505995082.db2.gz GEILNJAUHADFGD-UHFFFAOYSA-N -1 3 363.295 3.156 20 0 FGADHM Cc1cc(Cl)ccc1O[C@H](C)C(=O)[N-]c1nncn1-c1cccnc1 ZINC000572554864 505995965 /nfs/dbraw/zinc/99/59/65/505995965.db2.gz IJXWHXZDOKDJNO-GFCCVEGCSA-N -1 3 357.801 3.030 20 0 FGADHM O=C1C[C@@H]([N-]c2nnc(C(F)F)o2)CN1c1cccc(C(F)(F)F)c1 ZINC000292944980 498204952 /nfs/dbraw/zinc/20/49/52/498204952.db2.gz FMQXMRTZGWGRNH-MRVPVSSYSA-N -1 3 362.258 3.243 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)C1CCOCC1 ZINC000331004969 498234066 /nfs/dbraw/zinc/23/40/66/498234066.db2.gz SBASDMGYQMDCPM-ZDUSSCGKSA-N -1 3 369.380 3.328 20 0 FGADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCO[C@]2(CCCOC2)C1 ZINC000285953449 498250534 /nfs/dbraw/zinc/25/05/34/498250534.db2.gz NQUKGUOZRFDLKR-OAQYLSRUSA-N -1 3 369.417 3.206 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1ccoc1)c1ccc(C(F)(F)F)nc1Cl ZINC000293076788 498259388 /nfs/dbraw/zinc/25/93/88/498259388.db2.gz MFNFAPMDRWNYIP-SSDOTTSWSA-N -1 3 354.737 3.386 20 0 FGADHM Cc1c(C(=O)Nc2nnc(-c3c(F)cccc3F)[n-]2)cnn1C(C)(C)C ZINC000360403611 498271739 /nfs/dbraw/zinc/27/17/39/498271739.db2.gz ZDDNUXAKFIEXKI-UHFFFAOYSA-N -1 3 360.368 3.262 20 0 FGADHM Cc1c(C(=O)Nc2nc(-c3c(F)cccc3F)n[n-]2)cnn1C(C)(C)C ZINC000360403611 498271747 /nfs/dbraw/zinc/27/17/47/498271747.db2.gz ZDDNUXAKFIEXKI-UHFFFAOYSA-N -1 3 360.368 3.262 20 0 FGADHM Cc1c(C(=O)Nc2n[n-]c(-c3c(F)cccc3F)n2)cnn1C(C)(C)C ZINC000360403611 498271752 /nfs/dbraw/zinc/27/17/52/498271752.db2.gz ZDDNUXAKFIEXKI-UHFFFAOYSA-N -1 3 360.368 3.262 20 0 FGADHM O=S(=O)(C[C@@H]1CCCCO1)[N-]c1ccc(OCC(F)(F)F)c(F)c1 ZINC000281810085 498277654 /nfs/dbraw/zinc/27/76/54/498277654.db2.gz FZIUITGHNUCZHX-NSHDSACASA-N -1 3 371.352 3.078 20 0 FGADHM CC(C)(CO)ON=C([O-])Nc1ccnn1Cc1cccc(Cl)c1Cl ZINC000297005219 498284400 /nfs/dbraw/zinc/28/44/00/498284400.db2.gz VFMHORJBCBVHLT-UHFFFAOYSA-N -1 3 373.240 3.062 20 0 FGADHM CC(C)(CO)O[N-]C(=O)Nc1ccnn1Cc1cccc(Cl)c1Cl ZINC000297005219 498284407 /nfs/dbraw/zinc/28/44/07/498284407.db2.gz VFMHORJBCBVHLT-UHFFFAOYSA-N -1 3 373.240 3.062 20 0 FGADHM CCS[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000331262821 498287358 /nfs/dbraw/zinc/28/73/58/498287358.db2.gz DUWUBTOPEIENAE-VXGBXAGGSA-N -1 3 368.446 3.443 20 0 FGADHM COc1ccc(NC(=O)[C@@H](C(C)C)S(=O)(=O)C2CCCCC2)c([O-])c1 ZINC000331291974 498294599 /nfs/dbraw/zinc/29/45/99/498294599.db2.gz PUNMQLVNEVEXQZ-QGZVFWFLSA-N -1 3 369.483 3.111 20 0 FGADHM CO[C@H](C)CS(=O)(=O)[N-]c1cc(Cl)c(C)cc1Br ZINC000331323910 498300630 /nfs/dbraw/zinc/30/06/30/498300630.db2.gz LWBWGSXJOBAXSB-MRVPVSSYSA-N -1 3 356.669 3.188 20 0 FGADHM CCOc1ccncc1S(=O)(=O)[N-]C[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000331338519 498304678 /nfs/dbraw/zinc/30/46/78/498304678.db2.gz RJKKQKOZGOJZAC-RYUDHWBXSA-N -1 3 366.405 3.127 20 0 FGADHM CCOc1cc(CN2CCC(O)(CC)CC2)cc(Br)c1[O-] ZINC000331362210 498308866 /nfs/dbraw/zinc/30/88/66/498308866.db2.gz ZYYAYKYRWKJFNO-UHFFFAOYSA-N -1 3 358.276 3.290 20 0 FGADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)N1CCC[C@H]1c1cccc(F)c1 ZINC000331437511 498331507 /nfs/dbraw/zinc/33/15/07/498331507.db2.gz CJIQTJSKIZRXCT-NSHDSACASA-N -1 3 357.311 3.009 20 0 FGADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)N1CCC[C@H]1c1cccc(F)c1 ZINC000331437511 498331509 /nfs/dbraw/zinc/33/15/09/498331509.db2.gz CJIQTJSKIZRXCT-NSHDSACASA-N -1 3 357.311 3.009 20 0 FGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N1CCC[C@H]1c1cccc(F)c1 ZINC000331437511 498331511 /nfs/dbraw/zinc/33/15/11/498331511.db2.gz CJIQTJSKIZRXCT-NSHDSACASA-N -1 3 357.311 3.009 20 0 FGADHM COC(=O)c1ccc(CNCc2cc([O-])ccc2Br)cc1 ZINC000581575346 506018025 /nfs/dbraw/zinc/01/80/25/506018025.db2.gz LXZCOOXCSHVVAT-UHFFFAOYSA-N -1 3 350.212 3.231 20 0 FGADHM CSc1ccc(C(=O)N2CC[C@H](OCc3c(C)noc3C)C2)c([O-])c1 ZINC000365203284 498349381 /nfs/dbraw/zinc/34/93/81/498349381.db2.gz MQCAOJFYLZQSII-ZDUSSCGKSA-N -1 3 362.451 3.150 20 0 FGADHM CC(C)c1nc(NCc2ccc([O-])c(Br)c2)nc(N(C)C)n1 ZINC000301972120 498349696 /nfs/dbraw/zinc/34/96/96/498349696.db2.gz TUXRWOLIDPHLMQ-UHFFFAOYSA-N -1 3 366.263 3.141 20 0 FGADHM O=C(c1cc(F)cc2[n-]nnc21)N(Cc1ccc(F)cc1)C1CCOCC1 ZINC000282006756 498355040 /nfs/dbraw/zinc/35/50/40/498355040.db2.gz IGFBGXQMRHBIQC-UHFFFAOYSA-N -1 3 372.375 3.058 20 0 FGADHM O=C(c1cc(F)cc2nn[n-]c21)N(Cc1ccc(F)cc1)C1CCOCC1 ZINC000282006756 498355044 /nfs/dbraw/zinc/35/50/44/498355044.db2.gz IGFBGXQMRHBIQC-UHFFFAOYSA-N -1 3 372.375 3.058 20 0 FGADHM O=C(c1cc(F)cc2n[n-]nc21)N(Cc1ccc(F)cc1)C1CCOCC1 ZINC000282006756 498355045 /nfs/dbraw/zinc/35/50/45/498355045.db2.gz IGFBGXQMRHBIQC-UHFFFAOYSA-N -1 3 372.375 3.058 20 0 FGADHM COCCCON=C([O-])Nc1nc(C)c(Cc2ccccc2F)s1 ZINC000297199089 498355346 /nfs/dbraw/zinc/35/53/46/498355346.db2.gz QVQORLYDQUKLMT-UHFFFAOYSA-N -1 3 353.419 3.271 20 0 FGADHM COCCCO[N-]C(=O)Nc1nc(C)c(Cc2ccccc2F)s1 ZINC000297199089 498355349 /nfs/dbraw/zinc/35/53/49/498355349.db2.gz QVQORLYDQUKLMT-UHFFFAOYSA-N -1 3 353.419 3.271 20 0 FGADHM O=c1nc(CN2CCC[C@@H](O)CC2)[n-]c2scc(-c3ccccc3)c21 ZINC000293352405 498355642 /nfs/dbraw/zinc/35/56/42/498355642.db2.gz ZKXMUFODRZURCZ-CQSZACIVSA-N -1 3 355.463 3.411 20 0 FGADHM O=S(=O)(CC[C@H]1CCOC1)[N-]C(c1cccs1)c1cccs1 ZINC000293414572 498376218 /nfs/dbraw/zinc/37/62/18/498376218.db2.gz IGQDYNBUCJTEFR-GFCCVEGCSA-N -1 3 357.522 3.245 20 0 FGADHM Cc1cccc(C)c1CS(=O)(=O)[N-]Cc1nc(C(F)(F)F)cs1 ZINC000293454713 498390442 /nfs/dbraw/zinc/39/04/42/498390442.db2.gz KVIDYEKXUXZGDT-UHFFFAOYSA-N -1 3 364.414 3.398 20 0 FGADHM O=C(c1ccccc1)N1CC[C@H](CSc2n[n-]c(-c3ccccn3)n2)C1 ZINC000282167080 498408956 /nfs/dbraw/zinc/40/89/56/498408956.db2.gz HOQGMXFFXQIJAR-AWEZNQCLSA-N -1 3 365.462 3.121 20 0 FGADHM C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2C(=O)c2cc(=O)c3ccccc3[n-]2)C1 ZINC000282184291 498414787 /nfs/dbraw/zinc/41/47/87/498414787.db2.gz SAXVURDEKASQAG-UVDFWXMISA-N -1 3 354.450 3.342 20 0 FGADHM O=C(N[C@H]1CCO[C@@H](c2ccncc2)C1)c1cc2c(cc1[O-])CCCC2 ZINC000572697189 506031280 /nfs/dbraw/zinc/03/12/80/506031280.db2.gz JEFLIXJICMRRMP-FXAWDEMLSA-N -1 3 352.434 3.316 20 0 FGADHM CCOc1cc(CNCc2nnc(CC)s2)cc(Br)c1[O-] ZINC000297382269 498428516 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C[C@@H](CN(C)c1nc2nncc-2c(O)[n-]1)Oc1ccc(Cl)c(Cl)c1 ZINC000302772556 498566539 /nfs/dbraw/zinc/56/65/39/498566539.db2.gz NKBHIQICQGRKRW-QMMMGPOBSA-N -1 3 368.224 3.269 20 0 FGADHM C[C@@H](CCC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1)c1ccccc1 ZINC000290474965 498566693 /nfs/dbraw/zinc/56/66/93/498566693.db2.gz WJOOAAUQIIZWHG-GJZGRUSLSA-N -1 3 370.415 3.487 20 0 FGADHM CC(C)OCc1cc(NC(=O)Nc2ccc3c(c2)CC(=O)N3C)ccc1[O-] ZINC000290536104 498589393 /nfs/dbraw/zinc/58/93/93/498589393.db2.gz XPKGMBWQXSGCEA-UHFFFAOYSA-N -1 3 369.421 3.480 20 0 FGADHM COCCCON=C([O-])Nc1ccnn1Cc1ccc(C(F)(F)F)cc1 ZINC000287031097 498598087 /nfs/dbraw/zinc/59/80/87/498598087.db2.gz FUIXUQGHZZQHJU-UHFFFAOYSA-N -1 3 372.347 3.040 20 0 FGADHM COCCCO[N-]C(=O)Nc1ccnn1Cc1ccc(C(F)(F)F)cc1 ZINC000287031097 498598090 /nfs/dbraw/zinc/59/80/90/498598090.db2.gz FUIXUQGHZZQHJU-UHFFFAOYSA-N -1 3 372.347 3.040 20 0 FGADHM O=c1cc(CSc2nnc(-c3ccncc3)n2C2CC2)nc(C2CC2)[n-]1 ZINC000578974775 506065378 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Cc1noc(C)c1-c1nc(C)c(C(=O)Nc2nnc(C(F)(F)F)[n-]2)s1 ZINC000294438750 498693572 /nfs/dbraw/zinc/69/35/72/498693572.db2.gz GXQKUWHBMNQHIA-UHFFFAOYSA-N -1 3 372.332 3.113 20 0 FGADHM Cc1noc(C)c1-c1nc(C)c(C(=O)Nc2nc(C(F)(F)F)n[n-]2)s1 ZINC000294438750 498693577 /nfs/dbraw/zinc/69/35/77/498693577.db2.gz GXQKUWHBMNQHIA-UHFFFAOYSA-N -1 3 372.332 3.113 20 0 FGADHM CC(=O)N1Cc2ccc(NC(=O)c3cc(-c4ccc(C)o4)[n-]n3)cc2C1 ZINC000365906700 498693683 /nfs/dbraw/zinc/69/36/83/498693683.db2.gz OJKGJZMWGGKLKL-UHFFFAOYSA-N -1 3 350.378 3.093 20 0 FGADHM CC(=O)N1Cc2ccc(NC(=O)c3cc(-c4ccc(C)o4)n[n-]3)cc2C1 ZINC000365906700 498693688 /nfs/dbraw/zinc/69/36/88/498693688.db2.gz OJKGJZMWGGKLKL-UHFFFAOYSA-N -1 3 350.378 3.093 20 0 FGADHM O=C(CCc1cc(Cl)cc(Cl)c1)N1CCc2c(=O)[n-]cnc2C1 ZINC000332498204 498703938 /nfs/dbraw/zinc/70/39/38/498703938.db2.gz QJYRPKLEXNZJEV-UHFFFAOYSA-N -1 3 352.221 3.007 20 0 FGADHM COc1cccc2c1n[n-]c2C(=O)N(C)c1nnc(-c2ccccc2)s1 ZINC000366012273 498733046 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O=S(=O)([N-]CCc1ccc(Br)cc1)c1ccccc1F ZINC000312331139 498759298 /nfs/dbraw/zinc/75/92/98/498759298.db2.gz AGHFKKHLBJLTNK-UHFFFAOYSA-N -1 3 358.232 3.109 20 0 FGADHM CC(=O)c1ccc(C(=O)N2CCC[C@@H](c3ncc4n3CCCC4)C2)cc1[O-] ZINC000572939379 506087336 /nfs/dbraw/zinc/08/73/36/506087336.db2.gz MGLASOGSKGCJOQ-MRXNPFEDSA-N -1 3 367.449 3.147 20 0 FGADHM CN(C)[C@H](CNC(=O)c1c[n-]nc1-c1ccccn1)c1ccccc1Cl ZINC000581912468 506088140 /nfs/dbraw/zinc/08/81/40/506088140.db2.gz NLCLPTFWMQAOBR-QGZVFWFLSA-N -1 3 369.856 3.158 20 0 FGADHM C[C@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)c1nccn1-c1ccccc1 ZINC000366114651 498781799 /nfs/dbraw/zinc/78/17/99/498781799.db2.gz YDNXZKGPUCBACG-AWEZNQCLSA-N -1 3 358.401 3.205 20 0 FGADHM Cc1ccccc1-c1nc(C[N-]S(=O)(=O)c2ccc(C3CC3)cc2)no1 ZINC000579080943 506089435 /nfs/dbraw/zinc/08/94/35/506089435.db2.gz DXPCEWAVYSMSQR-UHFFFAOYSA-N -1 3 369.446 3.401 20 0 FGADHM Cc1nc(-c2ccc(NC(=O)NC[C@H]3CCO[C@@H](C)C3)cc2)cc(=O)[n-]1 ZINC000332805802 498798708 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O=S(=O)([N-]CC1(CO)CCCC1)c1cc(C(F)(F)F)ccc1Cl ZINC000322846877 498818545 /nfs/dbraw/zinc/81/85/45/498818545.db2.gz NEGUGVJWTCEYMR-UHFFFAOYSA-N -1 3 371.808 3.190 20 0 FGADHM C[C@@H]1CCN([C@H](C(=O)Nc2ccccc2)c2ccccc2)C[C@H]1C(=O)[O-] ZINC000573000798 506096658 /nfs/dbraw/zinc/09/66/58/506096658.db2.gz RTYXWGYDYSUKLT-LZQZEXGQSA-N -1 3 352.434 3.409 20 0 FGADHM Cc1cccc2c(=O)c(C(=O)N[C@@H]3CCOC4(CCSCC4)C3)c[n-]c12 ZINC000332980089 498856243 /nfs/dbraw/zinc/85/62/43/498856243.db2.gz RYPOUEAXWUNXGP-CQSZACIVSA-N -1 3 372.490 3.011 20 0 FGADHM COc1ccc(F)c(CN2CCC(C(=O)Nc3ccccc3[O-])CC2)c1 ZINC000294972456 498866265 /nfs/dbraw/zinc/86/62/65/498866265.db2.gz RPSHPWLKHGFUEY-UHFFFAOYSA-N -1 3 358.413 3.391 20 0 FGADHM O=C(N[C@@H]1CCOC2(CCSCC2)C1)c1ccc2c(c1[O-])CCCC2 ZINC000333022169 498872389 /nfs/dbraw/zinc/87/23/89/498872389.db2.gz FJCUJDXVYGELKN-OAHLLOKOSA-N -1 3 361.507 3.446 20 0 FGADHM COc1c(NC(=O)Nc2ccc([O-])c(COC(C)C)c2)cccc1C(N)=O ZINC000573046488 506105076 /nfs/dbraw/zinc/10/50/76/506105076.db2.gz CACGNAQPLVVZIJ-UHFFFAOYSA-N -1 3 373.409 3.069 20 0 FGADHM Cc1nnc(CNC(=O)CCc2ccc3ccccc3c2[O-])n1C1CC1 ZINC000295024773 498885077 /nfs/dbraw/zinc/88/50/77/498885077.db2.gz MMPXPWWIXPOOLR-UHFFFAOYSA-N -1 3 350.422 3.029 20 0 FGADHM CO[C@@H](CS(=O)(=O)[N-]c1cccc(OCC(F)(F)F)c1C)C1CC1 ZINC000573000526 506096425 /nfs/dbraw/zinc/09/64/25/506096425.db2.gz GUQXLKKKWQHPNL-AWEZNQCLSA-N -1 3 367.389 3.103 20 0 FGADHM CCN1CCc2c(cccc2[N-]S(=O)(=O)c2cccc(COC)c2)C1 ZINC000366365809 498894573 /nfs/dbraw/zinc/89/45/73/498894573.db2.gz FSMOHRKXXMCRIC-UHFFFAOYSA-N -1 3 360.479 3.012 20 0 FGADHM COC(=O)[C@@H]1CCN(C(=O)CCc2ccc3ccccc3c2[O-])C[C@H]1C ZINC000295054509 498894797 /nfs/dbraw/zinc/89/47/97/498894797.db2.gz AUZQQYVDWAMKCZ-RHSMWYFYSA-N -1 3 355.434 3.136 20 0 FGADHM O=C(c1ccccc1[O-])N1CCC[C@H]1C(=O)N1CC[C@H]1c1ccccc1F ZINC000363596649 498895490 /nfs/dbraw/zinc/89/54/90/498895490.db2.gz FVQFJADZVGXRKQ-ROUUACIJSA-N -1 3 368.408 3.110 20 0 FGADHM O=C(c1ccccc1[O-])N1CCC[C@@H]1C(=O)N1CC[C@@H]1c1ccccc1F ZINC000363596648 498895904 /nfs/dbraw/zinc/89/59/04/498895904.db2.gz FVQFJADZVGXRKQ-QZTJIDSGSA-N -1 3 368.408 3.110 20 0 FGADHM O=C(c1cc(F)cc2[n-]nnc21)N1CCC(Cc2ccc(F)c(F)c2)CC1 ZINC000328664995 498895988 /nfs/dbraw/zinc/89/59/88/498895988.db2.gz YXEQIZRDCCWTML-UHFFFAOYSA-N -1 3 374.366 3.470 20 0 FGADHM O=C(c1cc(F)cc2nn[n-]c21)N1CCC(Cc2ccc(F)c(F)c2)CC1 ZINC000328664995 498895990 /nfs/dbraw/zinc/89/59/90/498895990.db2.gz YXEQIZRDCCWTML-UHFFFAOYSA-N -1 3 374.366 3.470 20 0 FGADHM O=C(c1cc(F)cc2n[n-]nc21)N1CCC(Cc2ccc(F)c(F)c2)CC1 ZINC000328664995 498895994 /nfs/dbraw/zinc/89/59/94/498895994.db2.gz YXEQIZRDCCWTML-UHFFFAOYSA-N -1 3 374.366 3.470 20 0 FGADHM O=C(CCc1ccc2ccccc2c1[O-])N(CCCO)Cc1ccccn1 ZINC000295075191 498901431 /nfs/dbraw/zinc/90/14/31/498901431.db2.gz CWSHVPSVBYOZSC-UHFFFAOYSA-N -1 3 364.445 3.284 20 0 FGADHM C[C@@H]1CCN(CC(=O)N[C@@H](c2ccccc2)C2CCCC2)C[C@@H]1C(=O)[O-] ZINC000582003173 506110551 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3.090 20 0 FGADHM CCOC(=O)c1nc(C)[n-]c1NC(=O)c1ccc(Oc2ccccc2)cn1 ZINC000582041435 506119514 /nfs/dbraw/zinc/11/95/14/506119514.db2.gz CDLJRCSGQQZTJF-UHFFFAOYSA-N -1 3 366.377 3.334 20 0 FGADHM CCOC(=O)c1[n-]c(C)nc1NC(=O)c1ccc(Oc2ccccc2)cn1 ZINC000582041435 506119518 /nfs/dbraw/zinc/11/95/18/506119518.db2.gz CDLJRCSGQQZTJF-UHFFFAOYSA-N -1 3 366.377 3.334 20 0 FGADHM O=C(NC1CCN(Cc2ccccn2)CC1)c1cc2c(cc1[O-])CCCC2 ZINC000333296526 498970603 /nfs/dbraw/zinc/97/06/03/498970603.db2.gz SDAHIKYHHFMZSO-UHFFFAOYSA-N -1 3 365.477 3.060 20 0 FGADHM COc1ccc(-c2cc3[n-]c(CN[C@H](CO)C(C)C)nc(=O)c3s2)cc1 ZINC000299177882 498988309 /nfs/dbraw/zinc/98/83/09/498988309.db2.gz YTIXQUQEJXISEE-OAHLLOKOSA-N -1 3 373.478 3.179 20 0 FGADHM CCCCN(C)C(=O)C1CCN(C(=O)c2cc(=O)c3ccccc3[n-]2)CC1 ZINC000299224844 498999531 /nfs/dbraw/zinc/99/95/31/498999531.db2.gz BBFHMQYJXSKCIC-UHFFFAOYSA-N -1 3 369.465 3.051 20 0 FGADHM CC(C)([N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)c1nccs1 ZINC000291606282 499009114 /nfs/dbraw/zinc/00/91/14/499009114.db2.gz CZWAHCGTONARQL-UHFFFAOYSA-N -1 3 356.416 3.437 20 0 FGADHM CCc1ccc([C@H](O)CNC(=O)c2cc([O-])ccc2C(F)(F)F)cc1 ZINC000288397846 499014221 /nfs/dbraw/zinc/01/42/21/499014221.db2.gz QBNHIOHOBWUJCG-MRXNPFEDSA-N -1 3 353.340 3.437 20 0 FGADHM CCC(CC)(CC(=O)NC[C@@H]1CCCCN1Cc1ccccc1)C(=O)[O-] ZINC000299321404 499023153 /nfs/dbraw/zinc/02/31/53/499023153.db2.gz IEJXOCKNNSCDDC-SFHVURJKSA-N -1 3 360.498 3.438 20 0 FGADHM CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000291735059 499051443 /nfs/dbraw/zinc/05/14/43/499051443.db2.gz SEYDYSCATLQJKW-JCKWVBRZSA-N -1 3 355.438 3.227 20 0 FGADHM C[C@H](CO)[C@H](C)NCc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[n-]1 ZINC000299432283 499056630 /nfs/dbraw/zinc/05/66/30/499056630.db2.gz VGYPXICHADYCOV-MNOVXSKESA-N -1 3 361.442 3.310 20 0 FGADHM O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@H]1[N-]C(=O)C[C@H]1C(F)(F)F ZINC000366773690 499068675 /nfs/dbraw/zinc/06/86/75/499068675.db2.gz HZHCRTSLEXAYGT-XCBNKYQSSA-N -1 3 374.668 3.364 20 0 FGADHM CCCCCNC(=O)Cc1noc(-c2cc([O-])ccc2C(F)(F)F)n1 ZINC000582088632 506130084 /nfs/dbraw/zinc/13/00/84/506130084.db2.gz SCXLLWKJCOJZTG-UHFFFAOYSA-N -1 3 357.332 3.310 20 0 FGADHM Cc1cc(C(=O)N2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)ccc1[O-] ZINC000291811740 499075073 /nfs/dbraw/zinc/07/50/73/499075073.db2.gz CVHXJHBEQYNODN-HOTGVXAUSA-N -1 3 360.454 3.030 20 0 FGADHM Cc1cc(C(=O)N2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)ccc1[O-] ZINC000291811744 499075362 /nfs/dbraw/zinc/07/53/62/499075362.db2.gz CVHXJHBEQYNODN-JKSUJKDBSA-N -1 3 360.454 3.030 20 0 FGADHM CCC[C@@H](OC)C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000295713260 499086771 /nfs/dbraw/zinc/08/67/71/499086771.db2.gz CWIKIFRARMQAJT-MRXNPFEDSA-N -1 3 368.861 3.038 20 0 FGADHM CN(C(=O)c1c[n-]c2ccccc2c1=O)C1CC(NC(=O)OC(C)(C)C)C1 ZINC000295780548 499100607 /nfs/dbraw/zinc/10/06/07/499100607.db2.gz SKFCZPJKZSAIHT-UHFFFAOYSA-N -1 3 371.437 3.068 20 0 FGADHM O=C(NC[C@H]1CCCN(c2ccccc2)C1)c1cc(=O)c2ccccc2[n-]1 ZINC000364079900 499110044 /nfs/dbraw/zinc/11/00/44/499110044.db2.gz BQSDLIXIISTPQO-MRXNPFEDSA-N -1 3 361.445 3.175 20 0 FGADHM Cc1oc(-c2ccccc2)nc1CC(=O)N=c1cc(-c2ccncc2)[n-][nH]1 ZINC000372550528 499144874 /nfs/dbraw/zinc/14/48/74/499144874.db2.gz NJBAHRZPJSVYJN-UHFFFAOYSA-N -1 3 359.389 3.038 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc(C=O)[nH]c3C)c2)n1 ZINC000367393446 499193521 /nfs/dbraw/zinc/19/35/21/499193521.db2.gz BYGUJVKFUBURJX-UHFFFAOYSA-N -1 3 350.378 3.113 20 0 FGADHM Cc1cc(Cl)cc(NC(=O)[C@@H]2CCS(=O)(=O)c3ccccc32)c1[O-] ZINC000367534833 499209966 /nfs/dbraw/zinc/20/99/66/499209966.db2.gz YQJYSIDEMIQGFR-CYBMUJFWSA-N -1 3 365.838 3.254 20 0 FGADHM O=C(N[C@@H]1C[C@@H](CO)c2ccccc21)c1cc([O-])ccc1C(F)(F)F ZINC000370553018 499231003 /nfs/dbraw/zinc/23/10/03/499231003.db2.gz ACRFZMNUVYVNFR-MGPLVRAMSA-N -1 3 351.324 3.362 20 0 FGADHM Cc1cccc(NC2CCN(C(=O)Cc3ccc([O-])cc3Cl)CC2)n1 ZINC000370694427 499244932 /nfs/dbraw/zinc/24/49/32/499244932.db2.gz NABBQWLIGUJVCK-UHFFFAOYSA-N -1 3 359.857 3.395 20 0 FGADHM CC[C@@H](Oc1ccccc1F)C(=O)N=c1[nH][n-]c(-c2ccncc2)c1C ZINC000368221055 499275335 /nfs/dbraw/zinc/27/53/35/499275335.db2.gz HADQSNOUNAUGNK-OAHLLOKOSA-N -1 3 354.385 3.137 20 0 FGADHM CCc1cc(C(=O)N(C)C2CCN(Cc3ccncc3)CC2)ccc1[O-] ZINC000368277744 499280818 /nfs/dbraw/zinc/28/08/18/499280818.db2.gz UPWQZVOFIYZSFW-UHFFFAOYSA-N -1 3 353.466 3.086 20 0 FGADHM Cc1ncc2c(n1)CC[C@@H](NC(=O)c1c[n-]nc1-c1ccc(Cl)s1)C2 ZINC000368417759 499293872 /nfs/dbraw/zinc/29/38/72/499293872.db2.gz AUYIJTCNPVTVEP-LLVKDONJSA-N -1 3 373.869 3.177 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N3CCC[C@@H]3c3cccnc3)c[n-]c12 ZINC000368558505 499307162 /nfs/dbraw/zinc/30/71/62/499307162.db2.gz WICXIUNAKISJOO-QGZVFWFLSA-N -1 3 351.381 3.348 20 0 FGADHM Cc1nc(C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)c2n1CCCC2 ZINC000371306547 499308400 /nfs/dbraw/zinc/30/84/00/499308400.db2.gz WCFMNGWBFHQXPL-UHFFFAOYSA-N -1 3 374.293 3.313 20 0 FGADHM O=C([N-]c1ncn(-c2ccccn2)n1)c1cc(F)c(Cl)cc1Cl ZINC000371391078 499319570 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FGADHM C[C@@H]1c2ccccc2O[C@H]1c1nc(-c2ccc([N-]S(C)(=O)=O)cc2)no1 ZINC000371908881 499378127 /nfs/dbraw/zinc/37/81/27/499378127.db2.gz IDUAGODYUQXACP-BDJLRTHQSA-N -1 3 371.418 3.345 20 0 FGADHM CCC(CC)CS(=O)(=O)[N-][C@@H](c1noc(C2CC2)n1)c1ccccc1 ZINC000369289045 499387797 /nfs/dbraw/zinc/38/77/97/499387797.db2.gz WPIGPHKVDUZSNN-MRXNPFEDSA-N -1 3 363.483 3.392 20 0 FGADHM CCC[C@@H](C)CS(=O)(=O)[N-][C@@H](c1nc(-c2ccncc2)no1)C(C)C ZINC000369293314 499388620 /nfs/dbraw/zinc/38/86/20/499388620.db2.gz LMMABHDNQIONGW-UKRRQHHQSA-N -1 3 366.487 3.184 20 0 FGADHM O=C(N[C@H]1CCCN(c2cccc(F)c2)C1)c1cc(=O)c2ccccc2[n-]1 ZINC000369369272 499396388 /nfs/dbraw/zinc/39/63/88/499396388.db2.gz FYVKXKRQLRPBNS-HNNXBMFYSA-N -1 3 365.408 3.066 20 0 FGADHM CC1(CC(=O)NC2CCN(C(=O)c3cccc([O-])c3)CC2)CCCCC1 ZINC000372198864 499408337 /nfs/dbraw/zinc/40/83/37/499408337.db2.gz AMHFZKKMFSSDBA-UHFFFAOYSA-N -1 3 358.482 3.474 20 0 FGADHM CON(C(=O)CCc1c(C)nc(C)[n-]c1=O)[C@H]1CCCOc2ccccc21 ZINC000372333471 499421676 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CCC[C@H]([N-]S(=O)(=O)c1cc(F)ccc1OCCOC)C1CCC1 ZINC000416554923 500061700 /nfs/dbraw/zinc/06/17/00/500061700.db2.gz GMRYLTMXZVLIKQ-HNNXBMFYSA-N -1 3 359.463 3.098 20 0 FGADHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-][C@H](C)c1ccc(Cl)cc1 ZINC000416567112 500064235 /nfs/dbraw/zinc/06/42/35/500064235.db2.gz DXFLUSXYQHQVJS-SECBINFHSA-N -1 3 371.842 3.376 20 0 FGADHM COCC[C@@H](C)C[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000416585027 500066850 /nfs/dbraw/zinc/06/68/50/500066850.db2.gz NQSWXWXDLSRLIP-SECBINFHSA-N -1 3 370.696 3.053 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]C[C@@H]2C[C@H](C)O[C@@H]2C)c(Cl)c1Cl ZINC000416596562 500069519 /nfs/dbraw/zinc/06/95/19/500069519.db2.gz FUPBDCXSGWQGMG-AEJSXWLSSA-N -1 3 368.282 3.094 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)c1csnn1 ZINC000416632819 500076306 /nfs/dbraw/zinc/07/63/06/500076306.db2.gz LNZAZBCBCRMMNV-ZCFIWIBFSA-N -1 3 371.793 3.250 20 0 FGADHM O=S(=O)([N-][C@@H]1CCN(CC(F)F)C1)c1c(Cl)ccc2ccccc21 ZINC000416676835 500082976 /nfs/dbraw/zinc/08/29/76/500082976.db2.gz ZKHVDMBMSASKJG-GFCCVEGCSA-N -1 3 374.840 3.111 20 0 FGADHM COC(=O)c1conc1C(C)(C)NCc1cc([O-])cc(C(F)(F)F)c1 ZINC000425376780 500089391 /nfs/dbraw/zinc/08/93/91/500089391.db2.gz YAQVVJFABIZBNL-UHFFFAOYSA-N -1 3 358.316 3.211 20 0 FGADHM CCOc1cc(CNC(C)(C)c2nocc2C(=O)OC)cc(Cl)c1[O-] ZINC000425375780 500089429 /nfs/dbraw/zinc/08/94/29/500089429.db2.gz URUFXGTTWWRGJP-UHFFFAOYSA-N -1 3 368.817 3.244 20 0 FGADHM CO[C@H](CN(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)C1CC1 ZINC000425391243 500093244 /nfs/dbraw/zinc/09/32/44/500093244.db2.gz DCGONHUYRAQAID-HXUWFJFHSA-N -1 3 374.506 3.344 20 0 FGADHM O=C([O-])[C@H](Cc1cc(Cl)cc(Cl)c1)NCc1cnc(C2CC2)nc1 ZINC000417559237 500108849 /nfs/dbraw/zinc/10/88/49/500108849.db2.gz HQQNDXMXCUIELR-HNNXBMFYSA-N -1 3 366.248 3.446 20 0 FGADHM COc1ccc(F)cc1CN[C@@H](Cc1ccc(OC(F)F)cc1)C(=O)[O-] ZINC000417560171 500109496 /nfs/dbraw/zinc/10/94/96/500109496.db2.gz JVBQAWYRFJQCGY-HNNXBMFYSA-N -1 3 369.339 3.221 20 0 FGADHM Cn1[n-]c(=NC(=O)N[C@@H]2CCCC[C@@H]2c2ccccc2)cc1OC(F)F ZINC000429644306 500117879 /nfs/dbraw/zinc/11/78/79/500117879.db2.gz IJAIQZXXWNKYCS-ZIAGYGMSSA-N -1 3 364.396 3.291 20 0 FGADHM COc1ccc([C@H](CCC(=O)[O-])NCc2ccc([S@](C)=O)cc2)cc1 ZINC000417585269 500117959 /nfs/dbraw/zinc/11/79/59/500117959.db2.gz ZFFAFTMVGCSBSY-BVZFJXPGSA-N -1 3 361.463 3.128 20 0 FGADHM C[C@H](c1cccc(Cl)c1)N(C)C(=O)N=c1cc(OC(F)F)n(C)[n-]1 ZINC000429660689 500119878 /nfs/dbraw/zinc/11/98/78/500119878.db2.gz VCDSXSULICZMLO-SECBINFHSA-N -1 3 358.776 3.322 20 0 FGADHM C[C@@H](NCc1cc(Br)ccc1OC(F)F)[C@@H](C)C(=O)[O-] ZINC000417599569 500122130 /nfs/dbraw/zinc/12/21/30/500122130.db2.gz CGXQVVIXZUECSV-HTQZYQBOSA-N -1 3 352.175 3.249 20 0 FGADHM Cc1ccc2c(CN(C)[C@@H]3CCN(c4ccccc4)C3=O)ccc([O-])c2n1 ZINC000429695068 500125516 /nfs/dbraw/zinc/12/55/16/500125516.db2.gz GGAWDMGFJIMMPW-LJQANCHMSA-N -1 3 361.445 3.486 20 0 FGADHM O=C([O-])C[C@@H](CNCc1cc(F)cc(Br)c1)C(F)(F)F ZINC000417622770 500127795 /nfs/dbraw/zinc/12/77/95/500127795.db2.gz ISXBYFSNOMPBBM-QMMMGPOBSA-N -1 3 358.129 3.331 20 0 FGADHM CC(C)(C)c1nn(Cc2ccccc2)cc1CN[C@@H]1C=C[C@H](C(=O)[O-])C1 ZINC000417625599 500128098 /nfs/dbraw/zinc/12/80/98/500128098.db2.gz RTUBGYGPOKCSLL-FUHWJXTLSA-N -1 3 353.466 3.348 20 0 FGADHM CCOc1c(Cl)cc(CNC[C@H](CC(=O)[O-])C(F)(F)F)cc1OC ZINC000417627545 500129089 /nfs/dbraw/zinc/12/90/89/500129089.db2.gz OHMNGQYLDZSSAH-JTQLQIEISA-N -1 3 369.767 3.490 20 0 FGADHM COc1ccc(CN[C@H](CCC(=O)OC(C)(C)C)C(=O)[O-])cc1Cl ZINC000417627650 500129551 /nfs/dbraw/zinc/12/95/51/500129551.db2.gz SODNKCSIIRZISE-CYBMUJFWSA-N -1 3 357.834 3.013 20 0 FGADHM O=C([O-])C[C@H](CNCc1ccc(F)c(Br)c1)C(F)(F)F ZINC000417634325 500132218 /nfs/dbraw/zinc/13/22/18/500132218.db2.gz VLFUCZDDNNIFGV-MRVPVSSYSA-N -1 3 358.129 3.331 20 0 FGADHM Cc1cc(Br)c(CNC[C@@H](Oc2ccccc2)C(=O)[O-])s1 ZINC000417638506 500133529 /nfs/dbraw/zinc/13/35/29/500133529.db2.gz JWJUOFLBJHJOGE-CYBMUJFWSA-N -1 3 370.268 3.441 20 0 FGADHM COc1cc2c(c(CN[C@H](Cc3ccc(C)c(C)c3)C(=O)[O-])c1)O[C@H](C)C2 ZINC000417645569 500136508 /nfs/dbraw/zinc/13/65/08/500136508.db2.gz BMOVBSDRWGFUEI-FOIQADDNSA-N -1 3 369.461 3.421 20 0 FGADHM CCCS(=O)(=O)[N-]c1cc(NC(=O)[C@]2(C)CC2(F)F)c(F)cc1F ZINC000421760176 500142204 /nfs/dbraw/zinc/14/22/04/500142204.db2.gz FGAONIOGZNTWHI-ZDUSSCGKSA-N -1 3 368.352 3.100 20 0 FGADHM Cc1ccc(CN[C@@H](CC(=O)OC(C)(C)C)C(=O)[O-])cc1Br ZINC000417668370 500143751 /nfs/dbraw/zinc/14/37/51/500143751.db2.gz UZBYOJMUFOFNCG-ZDUSSCGKSA-N -1 3 372.259 3.032 20 0 FGADHM O=S(=O)([N-]C[C@H]1Cc2ccccc2O1)c1ccc(Cl)cc1Cl ZINC000429831753 500152433 /nfs/dbraw/zinc/15/24/33/500152433.db2.gz MEIUAFAZXGFISP-GFCCVEGCSA-N -1 3 358.246 3.275 20 0 FGADHM O=S(=O)([N-]C[C@@H](O)C1CCCCC1)c1ccc(Cl)cc1Cl ZINC000429830669 500152631 /nfs/dbraw/zinc/15/26/31/500152631.db2.gz QEZSDSSYZXUQGZ-CYBMUJFWSA-N -1 3 352.283 3.213 20 0 FGADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Br)[C@@H]1CCC[C@H](F)C1 ZINC000425626971 500163643 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COC(=O)c1nc(NC(=O)c2cc(-c3ccco3)n[n-]2)sc1C1CC1 ZINC000430405605 500236023 /nfs/dbraw/zinc/23/60/23/500236023.db2.gz TUSLSZGZQACWPD-UHFFFAOYSA-N -1 3 358.379 3.043 20 0 FGADHM C[C@@H]1CCN(C(=O)NCc2ccc([O-])c(Br)c2)CC1(F)F ZINC000426115967 500237630 /nfs/dbraw/zinc/23/76/30/500237630.db2.gz CCDZPOJHFKZKCS-SECBINFHSA-N -1 3 363.202 3.341 20 0 FGADHM O=C(Cc1cncc([O-])c1)N1CCC[C@@H]1c1ccc(Br)cc1 ZINC000579494246 506188493 /nfs/dbraw/zinc/18/84/93/506188493.db2.gz IDIJNVIWMIHQKG-MRXNPFEDSA-N -1 3 361.239 3.456 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CCCc3c(F)cc(F)cc32)c1 ZINC000576553831 506185162 /nfs/dbraw/zinc/18/51/62/506185162.db2.gz KVWNMWMYECMUNY-QGZVFWFLSA-N -1 3 360.360 3.436 20 0 FGADHM CN(CC(C)(C)O)C(=O)c1c[n-]c2ccc(Oc3ccccc3)cc2c1=O ZINC000430602941 500261166 /nfs/dbraw/zinc/26/11/66/500261166.db2.gz XEZNYECOOCEYES-UHFFFAOYSA-N -1 3 366.417 3.163 20 0 FGADHM CN(CCCC(=O)[O-])CC(=O)N[C@H](c1ccccc1)c1cccc(Cl)c1 ZINC000430658431 500266327 /nfs/dbraw/zinc/26/63/27/500266327.db2.gz YJBMSEPAWGBRPT-HXUWFJFHSA-N -1 3 374.868 3.342 20 0 FGADHM CC1(C)Cc2ccc(C(=O)N3CC(COc4ccccc4)C3)c([O-])c2O1 ZINC000573399907 506187152 /nfs/dbraw/zinc/18/71/52/506187152.db2.gz WUYWSXFWTVTGPF-UHFFFAOYSA-N -1 3 353.418 3.257 20 0 FGADHM Cc1cc(C(=O)[N-]c2sc3c(c2C(=O)c2cccnc2)CCC3)no1 ZINC000576562692 506187237 /nfs/dbraw/zinc/18/72/37/506187237.db2.gz SVEVREVXSMMQSZ-UHFFFAOYSA-N -1 3 353.403 3.412 20 0 FGADHM CCN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(F)c2Cl)c1 ZINC000573403505 506187734 /nfs/dbraw/zinc/18/77/34/506187734.db2.gz VOOXTGBZGWIZJQ-UHFFFAOYSA-N -1 3 370.833 3.372 20 0 FGADHM CC(C)(C)c1ncc(CNC[C@@H](Oc2ccc(F)cc2)C(=O)[O-])s1 ZINC000426638758 500298898 /nfs/dbraw/zinc/29/88/98/500298898.db2.gz KIJVSDCPNFPGOL-CQSZACIVSA-N -1 3 352.431 3.202 20 0 FGADHM Cc1cccc(-c2n[nH]cc2CNC[C@@H](Oc2ccc(F)cc2)C(=O)[O-])c1 ZINC000426644131 500299779 /nfs/dbraw/zinc/29/97/79/500299779.db2.gz BIUWAOLJGAQXOV-GOSISDBHSA-N -1 3 369.396 3.146 20 0 FGADHM CCn1nc(CN[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])c2ccccc21 ZINC000426663420 500303472 /nfs/dbraw/zinc/30/34/72/500303472.db2.gz LNKBNJYJAKPBBM-GOSISDBHSA-N -1 3 362.433 3.323 20 0 FGADHM O=C([O-])[C@H](Cc1ccccc1)NCc1cc(Br)ccc1F ZINC000426678922 500305822 /nfs/dbraw/zinc/30/58/22/500305822.db2.gz SFTSQNHGBCCJBM-HNNXBMFYSA-N -1 3 352.203 3.374 20 0 FGADHM Cn1c(CNC[C@@H](Cc2cccc(Cl)c2)C(=O)[O-])nc2ccccc21 ZINC000426688073 500306365 /nfs/dbraw/zinc/30/63/65/500306365.db2.gz OACUFHUJTNIPGP-CQSZACIVSA-N -1 3 357.841 3.260 20 0 FGADHM C[C@H](CCC[C@H](C)NCc1cn(-c2ccc(F)c(Cl)c2)nn1)C(=O)[O-] ZINC000426703441 500308508 /nfs/dbraw/zinc/30/85/08/500308508.db2.gz LVSHNAATUPLTOJ-NEPJUHHUSA-N -1 3 368.840 3.429 20 0 FGADHM C[C@H](CCC[C@H](C)C(=O)[O-])NCc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000426703442 500308513 /nfs/dbraw/zinc/30/85/13/500308513.db2.gz LVSHNAATUPLTOJ-NWDGAFQWSA-N -1 3 368.840 3.429 20 0 FGADHM Cc1cnn(C[C@@H](NCc2ccc(-c3ccccc3F)s2)C(=O)[O-])c1 ZINC000426723612 500311001 /nfs/dbraw/zinc/31/10/01/500311001.db2.gz MQYMNKJOXNXZHJ-MRXNPFEDSA-N -1 3 359.426 3.302 20 0 FGADHM Cc1cnn(C[C@H](NCc2cc(C(F)(F)F)ccc2Cl)C(=O)[O-])c1 ZINC000426724795 500311486 /nfs/dbraw/zinc/31/14/86/500311486.db2.gz VTFATBWBWAREIM-ZDUSSCGKSA-N -1 3 361.751 3.107 20 0 FGADHM COc1ccc(CN[C@H](CN2CCCc3ccccc32)C(=O)[O-])c(Cl)c1 ZINC000426734794 500312807 /nfs/dbraw/zinc/31/28/07/500312807.db2.gz BRFICZDULGYWQA-GOSISDBHSA-N -1 3 374.868 3.344 20 0 FGADHM C[C@@]1(C(=O)[O-])CCCC[C@@H]1NCc1cn(-c2ccc(F)cc2Cl)nn1 ZINC000426758672 500316515 /nfs/dbraw/zinc/31/65/15/500316515.db2.gz JCLZNGQVQAKTIV-DOTOQJQBSA-N -1 3 366.824 3.183 20 0 FGADHM O=C([O-])[C@H](NCc1ccc(Br)c(F)c1)c1ccc(O)cc1 ZINC000426771992 500318515 /nfs/dbraw/zinc/31/85/15/500318515.db2.gz BHOSLBUBONJRSN-CQSZACIVSA-N -1 3 354.175 3.209 20 0 FGADHM O=C([O-])[C@H](NCc1cc(Cl)c2c(c1)OCCCO2)c1cccs1 ZINC000426799534 500321645 /nfs/dbraw/zinc/32/16/45/500321645.db2.gz IMXVGJHWICOKME-CQSZACIVSA-N -1 3 353.827 3.478 20 0 FGADHM COc1cc(C[C@H](NCc2cccc(Cl)c2F)C(=O)[O-])cc(OC)c1 ZINC000426798756 500322110 /nfs/dbraw/zinc/32/21/10/500322110.db2.gz GGKWCQXCXNDRBY-INIZCTEOSA-N -1 3 367.804 3.282 20 0 FGADHM COc1cccc(CN[C@H](C(=O)[O-])c2ccc(Br)cc2)c1 ZINC000426809424 500323013 /nfs/dbraw/zinc/32/30/13/500323013.db2.gz VEQBJBRZOGSVPS-HNNXBMFYSA-N -1 3 350.212 3.373 20 0 FGADHM Fc1ccccc1-c1nc(Sc2ncnc3c2ncn3C2CC2)n[n-]1 ZINC000431031026 500326113 /nfs/dbraw/zinc/32/61/13/500326113.db2.gz UAZGACYZBCBWCB-UHFFFAOYSA-N -1 3 353.386 3.237 20 0 FGADHM CC(C)(CCCc1ccccc1)CNC(=O)CNC(=O)c1cccc([O-])c1 ZINC000426858874 500330086 /nfs/dbraw/zinc/33/00/86/500330086.db2.gz YOTXRSHJORDCLR-UHFFFAOYSA-N -1 3 368.477 3.287 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H]3NCCCC3(C)C)c2)n1 ZINC000423032655 500333185 /nfs/dbraw/zinc/33/31/85/500333185.db2.gz MWPOMTNYWDLXDF-KRWDZBQOSA-N -1 3 354.454 3.128 20 0 FGADHM CN1C[C@@H](C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)c2ccccc2C1=O ZINC000427056134 500348951 /nfs/dbraw/zinc/34/89/51/500348951.db2.gz ZXZGFODAAAHMQD-CYBMUJFWSA-N -1 3 364.323 3.219 20 0 FGADHM Cc1nc(C)n(Cc2cccc(NC(=O)c3cc(-c4ccco4)[n-]n3)c2)n1 ZINC000427138438 500358081 /nfs/dbraw/zinc/35/80/81/500358081.db2.gz XEIPUHQTPTXICB-UHFFFAOYSA-N -1 3 362.393 3.179 20 0 FGADHM Cc1nc(C)n(Cc2cccc(NC(=O)c3cc(-c4ccco4)n[n-]3)c2)n1 ZINC000427138438 500358084 /nfs/dbraw/zinc/35/80/84/500358084.db2.gz XEIPUHQTPTXICB-UHFFFAOYSA-N -1 3 362.393 3.179 20 0 FGADHM O=S(=O)([N-]Cc1cccc2c1OCCCO2)c1ccc(Cl)cc1F ZINC000431296516 500360186 /nfs/dbraw/zinc/36/01/86/500360186.db2.gz VFVZNCLNJRKVTC-UHFFFAOYSA-N -1 3 371.817 3.119 20 0 FGADHM COC(=O)C1(CS(=O)(=O)[N-]c2cccc(C(F)F)c2)CCCCC1 ZINC000427195102 500365142 /nfs/dbraw/zinc/36/51/42/500365142.db2.gz AJAQAYWETHOLQX-UHFFFAOYSA-N -1 3 361.410 3.489 20 0 FGADHM COC1CCC(C[N-]S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000427283249 500377386 /nfs/dbraw/zinc/37/73/86/500377386.db2.gz HSFOHXCEBKAGEQ-UHFFFAOYSA-N -1 3 351.390 3.189 20 0 FGADHM C[C@@H](SCc1cc(=O)[n-]c(C2CC2)n1)C(=O)NCc1ccccc1F ZINC000419580945 500381079 /nfs/dbraw/zinc/38/10/79/500381079.db2.gz BXCKERFPVYHRTH-LLVKDONJSA-N -1 3 361.442 3.137 20 0 FGADHM COc1ccc([C@H]2CCCN2C(=O)c2cc(F)cc3[n-]nnc32)c(OC)c1 ZINC000431526927 500388260 /nfs/dbraw/zinc/38/82/60/500388260.db2.gz XZDGTPANRSCVGO-MRXNPFEDSA-N -1 3 370.384 3.092 20 0 FGADHM COc1ccc([C@H]2CCCN2C(=O)c2cc(F)cc3nn[n-]c32)c(OC)c1 ZINC000431526927 500388262 /nfs/dbraw/zinc/38/82/62/500388262.db2.gz XZDGTPANRSCVGO-MRXNPFEDSA-N -1 3 370.384 3.092 20 0 FGADHM COc1ccc([C@H]2CCCN2C(=O)c2cc(F)cc3n[n-]nc32)c(OC)c1 ZINC000431526927 500388265 /nfs/dbraw/zinc/38/82/65/500388265.db2.gz XZDGTPANRSCVGO-MRXNPFEDSA-N -1 3 370.384 3.092 20 0 FGADHM COCCn1nc(C)c(NCc2cccc([O-])c2Br)c1C ZINC000419672143 500388656 /nfs/dbraw/zinc/38/86/56/500388656.db2.gz AGMFOKRUHZPHBE-UHFFFAOYSA-N -1 3 354.248 3.227 20 0 FGADHM CC(C)c1ccc2c(c1)[C@@H](NC(=O)CNC(=O)c1cccc([O-])c1)CCC2 ZINC000427535705 500402330 /nfs/dbraw/zinc/40/23/30/500402330.db2.gz VYNLXXGQADLBNG-FQEVSTJZSA-N -1 3 366.461 3.439 20 0 FGADHM CCc1[n-][nH]c(=NC(=O)c2nn(-c3ccccc3F)c3c2CCCC3)c1C ZINC000419876362 500405508 /nfs/dbraw/zinc/40/55/08/500405508.db2.gz PGMHWFBIMXVFMN-UHFFFAOYSA-N -1 3 367.428 3.158 20 0 FGADHM CC(C)=CCOc1cccc(CC(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)c1 ZINC000420056999 500417203 /nfs/dbraw/zinc/41/72/03/500417203.db2.gz MYTGJDYYCPUFMN-GOSISDBHSA-N -1 3 355.438 3.209 20 0 FGADHM Cn1cc(-c2c[nH]cc2C(=O)Nc2cc(Br)ccc2[O-])cn1 ZINC000427665966 500418794 /nfs/dbraw/zinc/41/87/94/500418794.db2.gz OVVSMGSOUUQOBC-UHFFFAOYSA-N -1 3 361.199 3.136 20 0 FGADHM Cc1cc(C)n(-c2ccc(CNC(=O)c3cc([O-])ccc3Cl)cn2)n1 ZINC000431751551 500419855 /nfs/dbraw/zinc/41/98/55/500419855.db2.gz PXIFFDZDZCIBQQ-UHFFFAOYSA-N -1 3 356.813 3.173 20 0 FGADHM O=C(c1cc([O-])ccc1Cl)N1CCN(c2ccc(Cl)cn2)CC1 ZINC000431783979 500424692 /nfs/dbraw/zinc/42/46/92/500424692.db2.gz WDKBKZXNMBHORO-UHFFFAOYSA-N -1 3 352.221 3.056 20 0 FGADHM C[C@@H](NC(=O)c1cc(F)cc2nn[n-]c21)c1ccc(OC(F)F)cc1 ZINC000431899900 500440784 /nfs/dbraw/zinc/44/07/84/500440784.db2.gz CBIYKQVKKJKZGE-MRVPVSSYSA-N -1 3 350.300 3.189 20 0 FGADHM C[C@@H](NC(=O)c1cc(F)cc2[n-]nnc21)c1ccc(OC(F)F)cc1 ZINC000431899900 500440786 /nfs/dbraw/zinc/44/07/86/500440786.db2.gz CBIYKQVKKJKZGE-MRVPVSSYSA-N -1 3 350.300 3.189 20 0 FGADHM C[C@@H](NC(=O)c1cc(F)cc2n[n-]nc21)c1ccc(OC(F)F)cc1 ZINC000431899900 500440789 /nfs/dbraw/zinc/44/07/89/500440789.db2.gz CBIYKQVKKJKZGE-MRVPVSSYSA-N -1 3 350.300 3.189 20 0 FGADHM Cc1csc(Nc2cccc([N-]S(=O)(=O)CCOCC3CC3)c2)n1 ZINC000424069185 500447241 /nfs/dbraw/zinc/44/72/41/500447241.db2.gz USQZUDBWPOLPRJ-UHFFFAOYSA-N -1 3 367.496 3.363 20 0 FGADHM COC(=O)c1cc(C(=O)Nc2ccc(OC)c(OCC(F)(F)F)c2)c[n-]1 ZINC000431963188 500449305 /nfs/dbraw/zinc/44/93/05/500449305.db2.gz JHCBWGMNLWFELO-UHFFFAOYSA-N -1 3 372.299 3.003 20 0 FGADHM CC1(C)C[C@H]([N-]S(=O)(=O)c2sccc2F)c2cc(N)ccc2O1 ZINC000420417516 500457438 /nfs/dbraw/zinc/45/74/38/500457438.db2.gz FCOHGVMTEPOUIU-LBPRGKRZSA-N -1 3 356.444 3.050 20 0 FGADHM O=C(NCc1ccnc(Oc2ccccc2F)c1)c1ccc2n[n-]nc2c1 ZINC000428024764 500459317 /nfs/dbraw/zinc/45/93/17/500459317.db2.gz WNTJSEJSZIFJAP-UHFFFAOYSA-N -1 3 363.352 3.214 20 0 FGADHM CCOc1cc2c(cc1NC(=O)c1cc(-c3ccco3)[n-]n1)OCCO2 ZINC000428035958 500460996 /nfs/dbraw/zinc/46/09/96/500460996.db2.gz HATONHPTBOWCNP-UHFFFAOYSA-N -1 3 355.350 3.092 20 0 FGADHM CCOc1cc2c(cc1NC(=O)c1cc(-c3ccco3)n[n-]1)OCCO2 ZINC000428035958 500460998 /nfs/dbraw/zinc/46/09/98/500460998.db2.gz HATONHPTBOWCNP-UHFFFAOYSA-N -1 3 355.350 3.092 20 0 FGADHM CNC(=O)Cc1ccc(-c2noc(-c3ccc4c(c3[O-])CCCC4)n2)cc1 ZINC000424231385 500472545 /nfs/dbraw/zinc/47/25/45/500472545.db2.gz CGYRLMXSTJHSMK-UHFFFAOYSA-N -1 3 363.417 3.277 20 0 FGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1c(Cl)cc(F)cc1Cl ZINC000432141247 500475830 /nfs/dbraw/zinc/47/58/30/500475830.db2.gz CTIQEGXDHFFNLG-UHFFFAOYSA-N -1 3 357.094 3.199 20 0 FGADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)c1c(Cl)cc(F)cc1Cl ZINC000432141247 500475825 /nfs/dbraw/zinc/47/58/25/500475825.db2.gz CTIQEGXDHFFNLG-UHFFFAOYSA-N -1 3 357.094 3.199 20 0 FGADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)c1c(Cl)cc(F)cc1Cl ZINC000432141247 500475828 /nfs/dbraw/zinc/47/58/28/500475828.db2.gz CTIQEGXDHFFNLG-UHFFFAOYSA-N -1 3 357.094 3.199 20 0 FGADHM Cn1[n-]c(=NC(=O)c2c(Cl)cc(F)cc2Cl)cc1OC(F)F ZINC000432159193 500478201 /nfs/dbraw/zinc/47/82/01/500478201.db2.gz RGWYWMMJDKPVRY-UHFFFAOYSA-N -1 3 354.115 3.142 20 0 FGADHM CC(C)([N-]S(=O)(=O)c1cc(F)ccc1OC(F)F)c1nccs1 ZINC000420676422 500486986 /nfs/dbraw/zinc/48/69/86/500486986.db2.gz LCRWEFPSMNMWJG-UHFFFAOYSA-N -1 3 366.386 3.097 20 0 FGADHM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F)[C@H]1CCCO1 ZINC000420695286 500489275 /nfs/dbraw/zinc/48/92/75/500489275.db2.gz NCGHBPVAADCOQX-GHMZBOCLSA-N -1 3 369.817 3.177 20 0 FGADHM COCC[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1OC(F)F)C(C)(C)C ZINC000420712413 500490802 /nfs/dbraw/zinc/49/08/02/500490802.db2.gz SJHRPVXLGUZZSY-CYBMUJFWSA-N -1 3 369.405 3.157 20 0 FGADHM COC1(C[N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)F)CCCC1 ZINC000420734392 500492728 /nfs/dbraw/zinc/49/27/28/500492728.db2.gz UQOXRGMBPVOLHL-UHFFFAOYSA-N -1 3 369.817 3.179 20 0 FGADHM O=S(=O)([N-]C[C@@H]1CCCC1(F)F)c1cc(F)ccc1OC(F)F ZINC000420761658 500495741 /nfs/dbraw/zinc/49/57/41/500495741.db2.gz YOXXWICHMRLSRR-QMMMGPOBSA-N -1 3 359.316 3.141 20 0 FGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2Cc3cccc(O)c3C2)c1Cl ZINC000428397753 500505724 /nfs/dbraw/zinc/50/57/24/500505724.db2.gz IHQJRVZYWIAJHL-NSHDSACASA-N -1 3 372.273 3.453 20 0 FGADHM C[C@@H](C[N-]S(=O)(=O)c1cncc(Cl)c1)Oc1ccc(Cl)cc1 ZINC000428402946 500506322 /nfs/dbraw/zinc/50/63/22/500506322.db2.gz PZCMLVPHUJEHKA-JTQLQIEISA-N -1 3 361.250 3.134 20 0 FGADHM CCCCn1ncc(C(=O)Nc2nc3cccc(C(=O)OC)c3[n-]2)c1CC ZINC000428509934 500518858 /nfs/dbraw/zinc/51/88/58/500518858.db2.gz KYXUZAAEDLPZSX-UHFFFAOYSA-N -1 3 369.425 3.161 20 0 FGADHM CCCCn1ncc(C(=O)Nc2nc3c(cccc3C(=O)OC)[n-]2)c1CC ZINC000428509934 500518860 /nfs/dbraw/zinc/51/88/60/500518860.db2.gz KYXUZAAEDLPZSX-UHFFFAOYSA-N -1 3 369.425 3.161 20 0 FGADHM CC(C)[C@@H](C(=O)[O-])[C@H](C)NCc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000424619379 500529385 /nfs/dbraw/zinc/52/93/85/500529385.db2.gz LLAHHHCXPLIBRS-MEDUHNTESA-N -1 3 362.451 3.374 20 0 FGADHM COc1ccc(CN2CCOC[C@H]2C2CCC2)c(Br)c1[O-] ZINC000576637653 506203464 /nfs/dbraw/zinc/20/34/64/506203464.db2.gz ZAHYKFSNNKKTBY-ZDUSSCGKSA-N -1 3 356.260 3.164 20 0 FGADHM Cc1cccc2cc(C(=O)N3CCN(C(=O)c4ccccc4[O-])CC3)oc21 ZINC000436946027 500576472 /nfs/dbraw/zinc/57/64/72/500576472.db2.gz BUACKDYEWDZSBE-UHFFFAOYSA-N -1 3 364.401 3.045 20 0 FGADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1cn2cc(Cl)cc(Cl)c2n1 ZINC000442290457 500579415 /nfs/dbraw/zinc/57/94/15/500579415.db2.gz AXFJVLMHXOSONT-UHFFFAOYSA-N -1 3 365.102 3.030 20 0 FGADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1cn2cc(Cl)cc(Cl)c2n1 ZINC000442290457 500579419 /nfs/dbraw/zinc/57/94/19/500579419.db2.gz AXFJVLMHXOSONT-UHFFFAOYSA-N -1 3 365.102 3.030 20 0 FGADHM COc1cccc(C(=O)N[C@H](C)c2ccc(-n3c(C)c[nH]c3=O)cc2)c1[O-] ZINC000436967657 500581637 /nfs/dbraw/zinc/58/16/37/500581637.db2.gz XZWLEQJMDAUHMO-CYBMUJFWSA-N -1 3 367.405 3.092 20 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/nfs/dbraw/zinc/61/75/87/500617587.db2.gz KFNPZCHBOLEFJI-UONOGXRCSA-N -1 3 360.545 3.138 20 0 FGADHM Cc1cc(C)cc(CC[N-]S(=O)(=O)c2cnccc2C(F)(F)F)c1 ZINC000442744576 500618125 /nfs/dbraw/zinc/61/81/25/500618125.db2.gz HOCVSBAQQNNZPT-UHFFFAOYSA-N -1 3 358.385 3.238 20 0 FGADHM CCC(CC)[C@@H](CC[N-]S(=O)(=O)c1cnccc1C(F)(F)F)OC ZINC000442752848 500619626 /nfs/dbraw/zinc/61/96/26/500619626.db2.gz SYWJVBHGYBJOJL-CYBMUJFWSA-N -1 3 368.421 3.220 20 0 FGADHM CC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000442752003 500619774 /nfs/dbraw/zinc/61/97/74/500619774.db2.gz QZRDKYXGQUENFS-CYBMUJFWSA-N -1 3 358.385 3.400 20 0 FGADHM COc1cc(C(=O)N(C)Cc2cc(Br)cs2)ccc1[O-] ZINC000442869619 500637204 /nfs/dbraw/zinc/63/72/04/500637204.db2.gz DVCNZQCKABMAKO-UHFFFAOYSA-N -1 3 356.241 3.497 20 0 FGADHM Cc1ccc([O-])c(NC(=O)CSCC(=O)c2ccc(Cl)cc2)n1 ZINC000447634201 500637426 /nfs/dbraw/zinc/63/74/26/500637426.db2.gz MRZHALVKDGUFMS-UHFFFAOYSA-N -1 3 350.827 3.304 20 0 FGADHM COc1cc(C(=O)N[C@H](c2nccn2C)c2ccc(Cl)cc2)ccc1[O-] ZINC000442903066 500645058 /nfs/dbraw/zinc/64/50/58/500645058.db2.gz RWYNWFBTMPJQRP-KRWDZBQOSA-N -1 3 371.824 3.307 20 0 FGADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)C[C@H]3CC[C@@H](C)C3)c2)[n-]1 ZINC000447683728 500645314 /nfs/dbraw/zinc/64/53/14/500645314.db2.gz SPMNHHJTVBBTMZ-KGLIPLIRSA-N -1 3 370.453 3.091 20 0 FGADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)C[C@H]3CC[C@@H](C)C3)c2)n[n-]1 ZINC000447683728 500645317 /nfs/dbraw/zinc/64/53/17/500645317.db2.gz SPMNHHJTVBBTMZ-KGLIPLIRSA-N -1 3 370.453 3.091 20 0 FGADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)C[C@H]3C=CCCC3)c2)[n-]1 ZINC000447684361 500645347 /nfs/dbraw/zinc/64/53/47/500645347.db2.gz AVBGWSPMMOLMFQ-AWEZNQCLSA-N -1 3 368.437 3.011 20 0 FGADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)C[C@H]3C=CCCC3)c2)n[n-]1 ZINC000447684361 500645348 /nfs/dbraw/zinc/64/53/48/500645348.db2.gz AVBGWSPMMOLMFQ-AWEZNQCLSA-N -1 3 368.437 3.011 20 0 FGADHM COc1cc(C(=O)NCc2ccc(F)cc2Br)ccc1[O-] ZINC000442983057 500658933 /nfs/dbraw/zinc/65/89/33/500658933.db2.gz LREXPSNAKKLWFJ-UHFFFAOYSA-N -1 3 354.175 3.232 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)c1ccc(OC(F)F)c(F)c1)c1nccs1 ZINC000447820063 500669622 /nfs/dbraw/zinc/66/96/22/500669622.db2.gz DBGZPXQVPOFHHD-JTQLQIEISA-N -1 3 366.386 3.313 20 0 FGADHM COc1cc(C(=O)N[C@@H](c2ccccn2)c2ccccc2OC)ccc1[O-] ZINC000443076481 500675369 /nfs/dbraw/zinc/67/53/69/500675369.db2.gz SIEDBGYASBUSSM-HXUWFJFHSA-N -1 3 364.401 3.324 20 0 FGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@@H](c1ccccc1C)C1CC1 ZINC000443084800 500677169 /nfs/dbraw/zinc/67/71/69/500677169.db2.gz ICQFBGMIBBAIHJ-OAHLLOKOSA-N -1 3 365.476 3.273 20 0 FGADHM Cc1ccc(-c2nnc(NC(=O)CO[C@H]3CCCc4ccccc43)[n-]2)o1 ZINC000437666227 500679264 /nfs/dbraw/zinc/67/92/64/500679264.db2.gz JRIONAKBMPSTGX-HNNXBMFYSA-N -1 3 352.394 3.406 20 0 FGADHM Cc1ccc(-c2n[n-]c(NC(=O)CO[C@H]3CCCc4ccccc43)n2)o1 ZINC000437666227 500679267 /nfs/dbraw/zinc/67/92/67/500679267.db2.gz JRIONAKBMPSTGX-HNNXBMFYSA-N -1 3 352.394 3.406 20 0 FGADHM Cc1ccc(-c2nc(NC(=O)CO[C@H]3CCCc4ccccc43)n[n-]2)o1 ZINC000437666227 500679268 /nfs/dbraw/zinc/67/92/68/500679268.db2.gz JRIONAKBMPSTGX-HNNXBMFYSA-N -1 3 352.394 3.406 20 0 FGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H](c1ccccc1)C(C)C ZINC000443099979 500679815 /nfs/dbraw/zinc/67/98/15/500679815.db2.gz VUOYXAPMBIEOLZ-QGZVFWFLSA-N -1 3 365.426 3.288 20 0 FGADHM O=C(N[C@H]1CCO[C@H]1c1ccc(Cl)cc1)c1cc(F)cc2nn[n-]c21 ZINC000433359152 500680649 /nfs/dbraw/zinc/68/06/49/500680649.db2.gz BEWJZOIZILWGRZ-BBRMVZONSA-N -1 3 360.776 3.010 20 0 FGADHM O=C(N[C@H]1CCO[C@H]1c1ccc(Cl)cc1)c1cc(F)cc2[n-]nnc21 ZINC000433359152 500680650 /nfs/dbraw/zinc/68/06/50/500680650.db2.gz BEWJZOIZILWGRZ-BBRMVZONSA-N -1 3 360.776 3.010 20 0 FGADHM O=C(N[C@H]1CCO[C@H]1c1ccc(Cl)cc1)c1cc(F)cc2n[n-]nc21 ZINC000433359152 500680651 /nfs/dbraw/zinc/68/06/51/500680651.db2.gz BEWJZOIZILWGRZ-BBRMVZONSA-N -1 3 360.776 3.010 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N[C@H](C)CCc3ccc(O)cc3)c[n-]c12 ZINC000433370297 500682621 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C[C@@H]1CCN(C(=O)c2c[n-]c3c(OC(F)(F)F)cccc3c2=O)[C@H]1C ZINC000444284896 500828699 /nfs/dbraw/zinc/82/86/99/500828699.db2.gz VHTKDELFAOSNBT-ZJUUUORDSA-N -1 3 354.328 3.297 20 0 FGADHM COCC1=CCN(C(=O)c2ccc(C(=O)c3cccc([O-])c3)cc2)CC1 ZINC000444334774 500835968 /nfs/dbraw/zinc/83/59/68/500835968.db2.gz IQSHFAGOGHNJGF-UHFFFAOYSA-N -1 3 351.402 3.042 20 0 FGADHM CCCN1CCC[C@H]1C(=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000444362426 500839459 /nfs/dbraw/zinc/83/94/59/500839459.db2.gz GBVPHMXDYLCBHT-SFHVURJKSA-N -1 3 373.497 3.268 20 0 FGADHM C[C@@H](C(=O)[O-])[C@H](C)NCc1cc(Cl)ccc1I ZINC000596022778 506219646 /nfs/dbraw/zinc/21/96/46/506219646.db2.gz WQHQDFYIEDAYID-SFYZADRCSA-N -1 3 367.614 3.143 20 0 FGADHM COC(=O)c1ccc(OC(C)C)c(NC(=O)Cc2ccc([O-])c(F)c2)c1 ZINC000448825559 500845071 /nfs/dbraw/zinc/84/50/71/500845071.db2.gz WKBGDPMODXOGQW-UHFFFAOYSA-N -1 3 361.369 3.286 20 0 FGADHM O=C(CNC(=O)c1cccc([O-])c1)N1C[C@@H](c2ccccc2)c2ccccc21 ZINC000444571759 500860625 /nfs/dbraw/zinc/86/06/25/500860625.db2.gz MZWDMAIOBRFOAN-FQEVSTJZSA-N -1 3 372.424 3.301 20 0 FGADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)c2cncs2)sc1Br ZINC000439192102 500867884 /nfs/dbraw/zinc/86/78/84/500867884.db2.gz NTBGHLQSPFBARR-ZETCQYMHSA-N -1 3 367.315 3.315 20 0 FGADHM O=S(=O)([N-]CCCC(F)(F)F)c1ccc(F)c(Br)c1 ZINC000439225063 500872032 /nfs/dbraw/zinc/87/20/32/500872032.db2.gz RPURELPUBCXLAJ-UHFFFAOYSA-N -1 3 364.158 3.209 20 0 FGADHM COc1ccc(CN2C[C@@H](O)Cc3ccccc32)c(Br)c1[O-] ZINC000435043278 500926648 /nfs/dbraw/zinc/92/66/48/500926648.db2.gz AHDRRHCJOOBISM-ZDUSSCGKSA-N -1 3 364.239 3.087 20 0 FGADHM CCO[C@@H](C[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)c1ccccc1 ZINC000444998594 500930908 /nfs/dbraw/zinc/93/09/08/500930908.db2.gz NQSCSGKNEXIDLH-HNNXBMFYSA-N -1 3 359.369 3.160 20 0 FGADHM Cc1cccc(CC[N-]S(=O)(=O)c2cc(F)ccc2Br)c1 ZINC000435209629 500944237 /nfs/dbraw/zinc/94/42/37/500944237.db2.gz CVIKJSLCZNEJLH-UHFFFAOYSA-N -1 3 372.259 3.418 20 0 FGADHM C[C@@H](NC(=O)Cc1noc(-c2cc(-c3ccco3)n[n-]2)n1)c1ccccc1 ZINC000445297146 500968882 /nfs/dbraw/zinc/96/88/82/500968882.db2.gz LXJCDEYSLFDXCO-GFCCVEGCSA-N -1 3 363.377 3.140 20 0 FGADHM C[C@@H](NC(=O)Cc1noc(-c2cc(-c3ccco3)[n-]n2)n1)c1ccccc1 ZINC000445297146 500968885 /nfs/dbraw/zinc/96/88/85/500968885.db2.gz LXJCDEYSLFDXCO-GFCCVEGCSA-N -1 3 363.377 3.140 20 0 FGADHM C[C@@H](CN1CCCCC1)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000435435218 500976333 /nfs/dbraw/zinc/97/63/33/500976333.db2.gz XIBSDRKYQJVTNJ-JTQLQIEISA-N -1 3 369.289 3.285 20 0 FGADHM Cc1nc([N-]C(=O)[C@@H](C)Oc2cccc(Cl)c2)n(-c2ccccc2)n1 ZINC000440135123 500979081 /nfs/dbraw/zinc/97/90/81/500979081.db2.gz PKAWGESOFACADX-GFCCVEGCSA-N -1 3 356.813 3.057 20 0 FGADHM CCOC(=O)c1ccc(-c2nc(-c3ccc([O-])c(OCC)c3)no2)nc1C ZINC000445421746 500983298 /nfs/dbraw/zinc/98/32/98/500983298.db2.gz ZDDZUZBOOBHVDO-UHFFFAOYSA-N -1 3 369.377 3.388 20 0 FGADHM CCOc1cc(-c2noc(-c3ccc4[nH]c(=O)n(C)c4c3)n2)ccc1[O-] ZINC000445427639 500983706 /nfs/dbraw/zinc/98/37/06/500983706.db2.gz PUYPEDZJGKOIBS-UHFFFAOYSA-N -1 3 352.350 3.100 20 0 FGADHM CCOc1cc(-c2noc(-c3ccc(-c4ncn(C)n4)cc3)n2)ccc1[O-] ZINC000445429542 500984349 /nfs/dbraw/zinc/98/43/49/500984349.db2.gz DYKXPKKUCGKVQX-UHFFFAOYSA-N -1 3 363.377 3.303 20 0 FGADHM C[C@H](CNC(=O)c1ccccc1[O-])Oc1cccc(Br)c1 ZINC000440322327 500996443 /nfs/dbraw/zinc/99/64/43/500996443.db2.gz ANJATKHHPUWAQE-LLVKDONJSA-N -1 3 350.212 3.352 20 0 FGADHM CC[C@@H]1C[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000435641723 501005857 /nfs/dbraw/zinc/00/58/57/501005857.db2.gz MMBSVKGDVCMJHK-BPLDGKMQSA-N -1 3 373.902 3.365 20 0 FGADHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2c(Cl)ccc3ccccc32)CCN1C ZINC000440412143 501006398 /nfs/dbraw/zinc/00/63/98/501006398.db2.gz GTEBLIKXOLXPED-OCCSQVGLSA-N -1 3 352.887 3.254 20 0 FGADHM Cn1ccnc1-c1cc(NC(=O)c2ccc(OCc3ccncc3)cc2)n[n-]1 ZINC000435711299 501015459 /nfs/dbraw/zinc/01/54/59/501015459.db2.gz ZKSMJWICMPQTJS-UHFFFAOYSA-N -1 3 374.404 3.037 20 0 FGADHM Cn1ccnc1-c1cc(NC(=O)c2ccc(OCc3ccncc3)cc2)[n-]n1 ZINC000435711299 501015462 /nfs/dbraw/zinc/01/54/62/501015462.db2.gz ZKSMJWICMPQTJS-UHFFFAOYSA-N -1 3 374.404 3.037 20 0 FGADHM CC(C)[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1cnc(-c2ccccc2)nc1 ZINC000445704760 501022242 /nfs/dbraw/zinc/02/22/42/501022242.db2.gz MEGIORDYHASNAF-CQSZACIVSA-N -1 3 373.400 3.399 20 0 FGADHM CC(C)N(C)c1ccccc1C[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000445709510 501022834 /nfs/dbraw/zinc/02/28/34/501022834.db2.gz MBQGBQLJXILASB-UHFFFAOYSA-N -1 3 372.412 3.427 20 0 FGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)[C@@H]2[C@@H](C)[C@@H]2c2ccccc2)c1 ZINC000435756516 501023507 /nfs/dbraw/zinc/02/35/07/501023507.db2.gz RRVJYLJWXVOPKZ-MORSLUCNSA-N -1 3 358.463 3.355 20 0 FGADHM CC(C)CC1(C(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)CC1 ZINC000440627798 501031218 /nfs/dbraw/zinc/03/12/18/501031218.db2.gz RLEFSMHAPFYJGX-UHFFFAOYSA-N -1 3 354.447 3.031 20 0 FGADHM COc1cc(C)cc(-c2nc(-c3nnc(-c4ccccc4)o3)no2)c1[O-] ZINC000446003800 501061467 /nfs/dbraw/zinc/06/14/67/501061467.db2.gz SUIRBLYWQJFCBX-UHFFFAOYSA-N -1 3 350.334 3.476 20 0 FGADHM [O-]c1c(-c2nc(Cc3nncn3-c3ccccc3)no2)ccc2c1CCCC2 ZINC000446004973 501061859 /nfs/dbraw/zinc/06/18/59/501061859.db2.gz PRUAHTZEHIJOSR-UHFFFAOYSA-N -1 3 373.416 3.493 20 0 FGADHM CCCn1c(=O)[n-]nc1S[C@@H](Cc1cccc(Cl)c1F)C(C)=O ZINC000436128496 501075347 /nfs/dbraw/zinc/07/53/47/501075347.db2.gz HLPZOGPONVKDCU-LBPRGKRZSA-N -1 3 357.838 3.479 20 0 FGADHM COc1cccc(C(=O)c2ccc(C(=O)Nc3nnc(SC)[n-]3)cc2)c1 ZINC000436243587 501094964 /nfs/dbraw/zinc/09/49/64/501094964.db2.gz AWTHLMYXSRMHEZ-UHFFFAOYSA-N -1 3 368.418 3.019 20 0 FGADHM COc1cccc(C(=O)c2ccc(C(=O)Nc3nc(SC)n[n-]3)cc2)c1 ZINC000436243587 501094967 /nfs/dbraw/zinc/09/49/67/501094967.db2.gz AWTHLMYXSRMHEZ-UHFFFAOYSA-N -1 3 368.418 3.019 20 0 FGADHM COc1cccc(C(=O)c2ccc(C(=O)Nc3n[n-]c(SC)n3)cc2)c1 ZINC000436243587 501094968 /nfs/dbraw/zinc/09/49/68/501094968.db2.gz AWTHLMYXSRMHEZ-UHFFFAOYSA-N -1 3 368.418 3.019 20 0 FGADHM CCOc1nc2cc(C(=O)N(C)C[C@@H]3OCCc4ccccc43)ccc2[n-]1 ZINC000449838908 501103207 /nfs/dbraw/zinc/10/32/07/501103207.db2.gz JOTCYDRTBSEGAM-IBGZPJMESA-N -1 3 365.433 3.348 20 0 FGADHM CCOc1nc2ccc(C(=O)N(C)C[C@@H]3OCCc4ccccc43)cc2[n-]1 ZINC000449838908 501103212 /nfs/dbraw/zinc/10/32/12/501103212.db2.gz JOTCYDRTBSEGAM-IBGZPJMESA-N -1 3 365.433 3.348 20 0 FGADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)CCCc2ncc(C)o2)[nH][n-]1 ZINC000449839955 501103620 /nfs/dbraw/zinc/10/36/20/501103620.db2.gz OEDNUBWEIWVELF-UHFFFAOYSA-N -1 3 374.828 3.418 20 0 FGADHM CC(=O)c1[n-]c(=NCc2cc3c(cc2OC(F)F)OCO3)sc1C ZINC000450377746 501105325 /nfs/dbraw/zinc/10/53/25/501105325.db2.gz JUCNIEQEOFGPJM-UHFFFAOYSA-N -1 3 356.350 3.018 20 0 FGADHM Cc1ccc(NCCCNC(=O)CCc2ccc3ccccc3c2[O-])nc1 ZINC000449895558 501119757 /nfs/dbraw/zinc/11/97/57/501119757.db2.gz MKVNSIYOPJAOMT-UHFFFAOYSA-N -1 3 363.461 3.222 20 0 FGADHM O=C(Cc1ccc([O-])c(F)c1)N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000449914273 501124764 /nfs/dbraw/zinc/12/47/64/501124764.db2.gz PQMSIIWVEMMACZ-OAHLLOKOSA-N -1 3 359.372 3.334 20 0 FGADHM C=Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)OC)c(F)cc2F)cc1 ZINC000436479218 501135528 /nfs/dbraw/zinc/13/55/28/501135528.db2.gz PRTDXJUDNUHORU-UHFFFAOYSA-N -1 3 353.346 3.195 20 0 FGADHM O=C(Nc1ccc2c(c1)C(=O)NC2)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436486016 501137297 /nfs/dbraw/zinc/13/72/97/501137297.db2.gz QBEPEURXCGEBKA-UHFFFAOYSA-N -1 3 358.397 3.479 20 0 FGADHM O=C(NCC[C@H](O)C(F)(F)F)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436494248 501138705 /nfs/dbraw/zinc/13/87/05/501138705.db2.gz KZWXZSKLZPMGJQ-KRWDZBQOSA-N -1 3 367.367 3.221 20 0 FGADHM COc1ccc([C@H]2C[C@H](NC(=O)c3cc(NC(C)=O)ccc3[O-])C2)cc1F ZINC000436514546 501144680 /nfs/dbraw/zinc/14/46/80/501144680.db2.gz RFHQKAKTMKZMET-CTYIDZIISA-N -1 3 372.396 3.174 20 0 FGADHM CC1CC(NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000436531767 501149389 /nfs/dbraw/zinc/14/93/89/501149389.db2.gz WVXYMDICHYXKQF-YVNUBYTISA-N -1 3 352.434 3.168 20 0 FGADHM CC[C@@H](CNC(=O)c1cc(F)c([O-])c(F)c1)N1CCc2ccccc2C1 ZINC000436534230 501149850 /nfs/dbraw/zinc/14/98/50/501149850.db2.gz WHXOIECGKACLRW-INIZCTEOSA-N -1 3 360.404 3.237 20 0 FGADHM CC[C@@H](C)NC(=O)[C@H](C)NC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436537336 501150813 /nfs/dbraw/zinc/15/08/13/501150813.db2.gz DXKQLGIHLZVDES-KGLIPLIRSA-N -1 3 356.422 3.218 20 0 FGADHM Cc1ccc(C(=O)N2CSC[C@H]2C(=O)Nc2ccccc2C)c([O-])c1C ZINC000436537976 501151321 /nfs/dbraw/zinc/15/13/21/501151321.db2.gz ZHXPAFVXSUASKF-KRWDZBQOSA-N -1 3 370.474 3.471 20 0 FGADHM Cc1cc(NC(=O)Cc2ccc([O-])c(F)c2)ccc1-n1nnnc1C(C)C ZINC000450549445 501151636 /nfs/dbraw/zinc/15/16/36/501151636.db2.gz BQINKFHWSAADGC-UHFFFAOYSA-N -1 3 369.400 3.120 20 0 FGADHM CC(C)NC(=O)[C@H]1CCC[C@H](NC(=O)c2cc3c(cc2[O-])CCCC3)C1 ZINC000436544817 501152816 /nfs/dbraw/zinc/15/28/16/501152816.db2.gz KWSLCHWXTRYOKG-IRXDYDNUSA-N -1 3 358.482 3.084 20 0 FGADHM COC(=O)c1ccc(NC(=O)c2cc(C)ccc2[O-])c(OC(F)F)c1 ZINC000436545468 501153769 /nfs/dbraw/zinc/15/37/69/501153769.db2.gz BUAXNVGUILBAFB-UHFFFAOYSA-N -1 3 351.305 3.341 20 0 FGADHM CN(CCOc1ccc(Br)cc1)C(=O)c1ccccc1[O-] ZINC000436556316 501156237 /nfs/dbraw/zinc/15/62/37/501156237.db2.gz NTGYASMMZLYUDJ-UHFFFAOYSA-N -1 3 350.212 3.306 20 0 FGADHM Cc1ccc(C(=O)NCCc2nc(-c3cccc(Cl)c3)no2)c([O-])c1 ZINC000436557115 501156556 /nfs/dbraw/zinc/15/65/56/501156556.db2.gz VJQAHIPQHDTWMH-UHFFFAOYSA-N -1 3 357.797 3.377 20 0 FGADHM COc1ccc(CCNC(=O)c2ccc(C)c(C)c2[O-])c(OC)c1OC ZINC000436561443 501157060 /nfs/dbraw/zinc/15/70/60/501157060.db2.gz CERUVHDOUHMEMY-UHFFFAOYSA-N -1 3 359.422 3.007 20 0 FGADHM CCCNC(=O)CN(CCC)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436564470 501157581 /nfs/dbraw/zinc/15/75/81/501157581.db2.gz OVBKAMNTAFRQFE-UHFFFAOYSA-N -1 3 368.477 3.361 20 0 FGADHM Cc1ccc(C(=O)N2CSC[C@@H]2C(=O)N[C@@H](C)CCC(C)C)c([O-])c1 ZINC000436564674 501157664 /nfs/dbraw/zinc/15/76/64/501157664.db2.gz RAMBZKMYTQZUCY-GOEBONIOSA-N -1 3 364.511 3.157 20 0 FGADHM CCN1CCN(C(=O)c2cc(OCc3ccccc3)ccc2[O-])[C@H](C)C1 ZINC000436569662 501159176 /nfs/dbraw/zinc/15/91/76/501159176.db2.gz HKHZUYUIXRNRRN-MRXNPFEDSA-N -1 3 354.450 3.137 20 0 FGADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CC(OCC(F)F)C1 ZINC000436572201 501159203 /nfs/dbraw/zinc/15/92/03/501159203.db2.gz DNVHAMZKXKSRGV-UHFFFAOYSA-N -1 3 361.388 3.284 20 0 FGADHM Cc1ccc(C(=O)N2CC(OCCCOc3ccccc3)C2)c([O-])c1C ZINC000436574653 501160379 /nfs/dbraw/zinc/16/03/79/501160379.db2.gz KYXWAWIFKCRSFM-UHFFFAOYSA-N -1 3 355.434 3.319 20 0 FGADHM O=C(NCc1nc2ccc(F)cc2[nH]1)c1ccc(Br)cc1[O-] ZINC000436577172 501161520 /nfs/dbraw/zinc/16/15/20/501161520.db2.gz UAPDOTWDCNHHFV-UHFFFAOYSA-N -1 3 364.174 3.100 20 0 FGADHM CC(=O)NC[C@H](CC(=O)Nc1cc(Br)ccc1[O-])CC(C)C ZINC000450042939 501162606 /nfs/dbraw/zinc/16/26/06/501162606.db2.gz AJSORPPMYAVECY-LBPRGKRZSA-N -1 3 371.275 3.282 20 0 FGADHM COc1cccc(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)cc2)c1[O-] ZINC000436585643 501162886 /nfs/dbraw/zinc/16/28/86/501162886.db2.gz SWXJRMGTUXXTJJ-NVXWUHKLSA-N -1 3 360.841 3.229 20 0 FGADHM CCC[C@H](CCO)CNC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436583605 501162949 /nfs/dbraw/zinc/16/29/49/501162949.db2.gz HTCUGNDEEZSTSG-MRXNPFEDSA-N -1 3 357.450 3.500 20 0 FGADHM C[C@H](CO[C@H]1CCOC1)NC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436586210 501163927 /nfs/dbraw/zinc/16/39/27/501163927.db2.gz SAGWBCFCIYIKSB-PBHICJAKSA-N -1 3 357.406 3.108 20 0 FGADHM COC(=O)c1cc(NC(=O)c2ccc(C)c(C)c2[O-])c(OC)c(OC)c1 ZINC000436587874 501164384 /nfs/dbraw/zinc/16/43/84/501164384.db2.gz GMAFNWBTKZXDLJ-UHFFFAOYSA-N -1 3 359.378 3.065 20 0 FGADHM CC(=O)c1ccc(C(=O)NCc2cc(F)ccc2Br)cc1[O-] ZINC000436602541 501167772 /nfs/dbraw/zinc/16/77/72/501167772.db2.gz KLDAXJULIYPVBX-UHFFFAOYSA-N -1 3 366.186 3.426 20 0 FGADHM COc1ccc(C(=O)N[C@H](C)Cc2cc(C)nn2-c2ccccc2)c([O-])c1 ZINC000436601237 501167809 /nfs/dbraw/zinc/16/78/09/501167809.db2.gz IVVYVYCYONJFNO-CQSZACIVSA-N -1 3 365.433 3.256 20 0 FGADHM CC(=O)c1ccc(C(=O)NCc2ccc(-n3ccnc3C)c(F)c2)cc1[O-] ZINC000436620090 501170642 /nfs/dbraw/zinc/17/06/42/501170642.db2.gz ZMIGCORTHMTVJT-UHFFFAOYSA-N -1 3 367.380 3.158 20 0 FGADHM CC(=O)c1ccc(C(=O)NC[C@H](c2ccc(C)o2)N2CCCC2)cc1[O-] ZINC000436623332 501171614 /nfs/dbraw/zinc/17/16/14/501171614.db2.gz DSIKEYFVSLBPCT-QGZVFWFLSA-N -1 3 356.422 3.063 20 0 FGADHM CN(CCC1CCCCC1)C(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436621593 501172017 /nfs/dbraw/zinc/17/20/17/501172017.db2.gz BSEKMOQUNOQUQF-GOSISDBHSA-N -1 3 358.482 3.426 20 0 FGADHM Cc1cc([C@@H](C)NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])ccc1F ZINC000436628470 501172758 /nfs/dbraw/zinc/17/27/58/501172758.db2.gz ZBHADRJMOMBSGD-KDOFPFPSSA-N -1 3 370.424 3.322 20 0 FGADHM COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2ccc([O-])c(OC)c2)c1 ZINC000436627136 501172775 /nfs/dbraw/zinc/17/27/75/501172775.db2.gz NRVMIHOKPNEEMY-INIZCTEOSA-N -1 3 357.406 3.395 20 0 FGADHM COC(=O)[C@@H](C[C@@H]1CCCc2ccccc21)NC(=O)c1ccc([O-])c(C)c1 ZINC000436628991 501173598 /nfs/dbraw/zinc/17/35/98/501173598.db2.gz HXTDMXRTWVLMHO-QFBILLFUSA-N -1 3 367.445 3.482 20 0 FGADHM COCCn1cc2c(n1)[C@H](NC(=O)c1ccc(C(C)C)cc1[O-])CCC2 ZINC000436629314 501173729 /nfs/dbraw/zinc/17/37/29/501173729.db2.gz UZPACSNECOJCCD-QGZVFWFLSA-N -1 3 357.454 3.166 20 0 FGADHM CSc1ccc(N(C)C(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])cc1 ZINC000436629032 501173735 /nfs/dbraw/zinc/17/37/35/501173735.db2.gz ICOQFEMUDNPVKB-KRWDZBQOSA-N -1 3 370.474 3.382 20 0 FGADHM CN1CC[C@H](NC(=O)c2c([O-])cccc2O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000436647098 501178093 /nfs/dbraw/zinc/17/80/93/501178093.db2.gz KDDQPRTXWSXYIS-SUMWQHHRSA-N -1 3 364.804 3.066 20 0 FGADHM COc1cc(CNC(=O)c2ccc(C(C)=O)c([O-])c2)c2ccccc2n1 ZINC000436654377 501180366 /nfs/dbraw/zinc/18/03/66/501180366.db2.gz IQYAYXXVGMUKRE-UHFFFAOYSA-N -1 3 350.374 3.082 20 0 FGADHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1CCC[C@@H](CC)CC1 ZINC000441886927 501180976 /nfs/dbraw/zinc/18/09/76/501180976.db2.gz CCAGGVXLALCIBJ-CYBMUJFWSA-N -1 3 366.483 3.210 20 0 FGADHM Cc1ccc(-c2nnc(NC(=O)C3CCC(OC[C@H]4CCCO4)CC3)[n-]2)o1 ZINC000450139599 501191444 /nfs/dbraw/zinc/19/14/44/501191444.db2.gz KNINYORWCRFUOL-YMAMQOFZSA-N -1 3 374.441 3.066 20 0 FGADHM Cc1ccc(-c2n[n-]c(NC(=O)C3CCC(OC[C@H]4CCCO4)CC3)n2)o1 ZINC000450139599 501191448 /nfs/dbraw/zinc/19/14/48/501191448.db2.gz KNINYORWCRFUOL-YMAMQOFZSA-N -1 3 374.441 3.066 20 0 FGADHM Cc1ccc(-c2nc(NC(=O)C3CCC(OC[C@H]4CCCO4)CC3)n[n-]2)o1 ZINC000450139599 501191451 /nfs/dbraw/zinc/19/14/51/501191451.db2.gz KNINYORWCRFUOL-YMAMQOFZSA-N -1 3 374.441 3.066 20 0 FGADHM CCOC(=O)[C@H](Cc1ccccc1)N(C)C(=O)c1ccc([O-])c(CC)c1 ZINC000436699052 501191596 /nfs/dbraw/zinc/19/15/96/501191596.db2.gz SOGFFTXHRRCZGO-SFHVURJKSA-N -1 3 355.434 3.201 20 0 FGADHM CN(CCc1cnccn1)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436705809 501192023 /nfs/dbraw/zinc/19/20/23/501192023.db2.gz OIPHZPYPJXNEBA-UHFFFAOYSA-N -1 3 361.445 3.282 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N(C)Cc2cccc(Cl)c2)c([O-])c1 ZINC000436703202 501192624 /nfs/dbraw/zinc/19/26/24/501192624.db2.gz DEUYIMXCMWYGSB-UHFFFAOYSA-N -1 3 360.841 3.133 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N2CCC[C@H]2c2ccsc2)c([O-])c1 ZINC000436710448 501193961 /nfs/dbraw/zinc/19/39/61/501193961.db2.gz UKDGIWZAECITJI-INIZCTEOSA-N -1 3 358.463 3.246 20 0 FGADHM COc1cc(C(=O)N[C@@H]2CC[C@H](c3ccccc3)C[C@@H]2OC)ccc1[O-] ZINC000436713209 501194964 /nfs/dbraw/zinc/19/49/64/501194964.db2.gz IOKHLZYHMKUUJO-WDYCEAGBSA-N -1 3 355.434 3.482 20 0 FGADHM O=C(NCc1ccc([O-])c(Br)c1)[C@H]1CC12CCSCC2 ZINC000450152995 501195481 /nfs/dbraw/zinc/19/54/81/501195481.db2.gz RTZNNVDDJZUZAC-LLVKDONJSA-N -1 3 356.285 3.304 20 0 FGADHM C[C@@H](c1ccc2c(c1)CCC2)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436732330 501199337 /nfs/dbraw/zinc/19/93/37/501199337.db2.gz COQMJBBSGPWDJM-INIZCTEOSA-N -1 3 350.462 3.400 20 0 FGADHM COc1cc(-c2noc(-c3ccc4c(c3)C(C)(C)C(=O)N4)n2)ccc1[O-] ZINC000436737988 501201359 /nfs/dbraw/zinc/20/13/59/501201359.db2.gz MMGLYLCDUZHHFT-UHFFFAOYSA-N -1 3 351.362 3.348 20 0 FGADHM CCN(CC)CC(=O)Nc1cccc(NC(=O)c2cccc(C)c2[O-])c1 ZINC000436743716 501202083 /nfs/dbraw/zinc/20/20/83/501202083.db2.gz ZOROEZNGGIJQCU-UHFFFAOYSA-N -1 3 355.438 3.233 20 0 FGADHM CC[C@@H](C)c1nc([C@@H](C)NC(=O)c2cc(Cl)c([O-])c(OC)c2)n[nH]1 ZINC000436743508 501202170 /nfs/dbraw/zinc/20/21/70/501202170.db2.gz HIWYLQWDCRQQJQ-RKDXNWHRSA-N -1 3 352.822 3.177 20 0 FGADHM CC[C@H](C)c1nc([C@@H](C)NC(=O)c2ccc(Br)cc2[O-])n[nH]1 ZINC000436742929 501202470 /nfs/dbraw/zinc/20/24/70/501202470.db2.gz YTPGNQFSLOVPCW-DTWKUNHWSA-N -1 3 367.247 3.277 20 0 FGADHM O=C(NCc1nnc2c(Cl)cc(C(F)(F)F)cn12)c1ccccc1[O-] ZINC000436753351 501204946 /nfs/dbraw/zinc/20/49/46/501204946.db2.gz DWAXCUBZWAVLGU-UHFFFAOYSA-N -1 3 370.718 3.037 20 0 FGADHM COc1ccc(C(=O)N[C@@H](CC(=O)OC(C)C)c2ccccc2)c([O-])c1 ZINC000436756460 501205632 /nfs/dbraw/zinc/20/56/32/501205632.db2.gz QIIMDGOYUXVGOJ-KRWDZBQOSA-N -1 3 357.406 3.214 20 0 FGADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N[C@H]1C[C@@H]1C(F)F ZINC000436777121 501210423 /nfs/dbraw/zinc/21/04/23/501210423.db2.gz YAPHPVUIIMCFHL-ULQDDVLXSA-N -1 3 374.387 3.023 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](C)c2ccccc2OC(F)F)c1 ZINC000436781486 501210541 /nfs/dbraw/zinc/21/05/41/501210541.db2.gz JVJNMVHNZIPOFS-SNVBAGLBSA-N -1 3 364.348 3.443 20 0 FGADHM COC[C@@H](NC(=O)c1cc(NC(C)=O)ccc1[O-])c1cccc(Cl)c1 ZINC000436787953 501211388 /nfs/dbraw/zinc/21/13/88/501211388.db2.gz RSGLOBXTDTYCEY-MRXNPFEDSA-N -1 3 362.813 3.122 20 0 FGADHM CCCCOc1ccc(C(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@H](C)C2)c([O-])c1 ZINC000436791474 501212361 /nfs/dbraw/zinc/21/23/61/501212361.db2.gz JQCPGPLGGRKIIU-TXPKVOOTSA-N -1 3 360.498 3.373 20 0 FGADHM C[C@H](CC1CCCCC1)NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436790058 501212402 /nfs/dbraw/zinc/21/24/02/501212402.db2.gz MXRQODAQHCGQFH-MRXNPFEDSA-N -1 3 373.497 3.219 20 0 FGADHM Cc1cc(C(=O)NC2CCN(C(=O)c3ccc(C)c(C)c3[O-])CC2)c(C)o1 ZINC000436794662 501212518 /nfs/dbraw/zinc/21/25/18/501212518.db2.gz CNXAVMFXPBEGEJ-UHFFFAOYSA-N -1 3 370.449 3.253 20 0 FGADHM CCc1ccc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)c([O-])c1 ZINC000436803105 501214068 /nfs/dbraw/zinc/21/40/68/501214068.db2.gz MNZMDWZRMQSBOC-RMKNXTFCSA-N -1 3 350.462 3.426 20 0 FGADHM COCC1(CNC(=O)c2cc(Oc3ccccc3)ccc2[O-])CCOCC1 ZINC000436808706 501214546 /nfs/dbraw/zinc/21/45/46/501214546.db2.gz QEPAZNBCHYKMCW-UHFFFAOYSA-N -1 3 371.433 3.358 20 0 FGADHM Cc1ccc(CNC(=O)c2cc(Oc3ccccc3)ccc2[O-])c(=O)n1C ZINC000436814555 501215262 /nfs/dbraw/zinc/21/52/62/501215262.db2.gz HWYFEKLFHJOHRT-UHFFFAOYSA-N -1 3 364.401 3.122 20 0 FGADHM COC(=O)C[C@]1(NC(=O)c2cc(C(C)C)cc(C(C)C)c2[O-])CCOC1 ZINC000436821757 501216487 /nfs/dbraw/zinc/21/64/87/501216487.db2.gz YIQIOMSGIHYBIT-HXUWFJFHSA-N -1 3 363.454 3.091 20 0 FGADHM O=C(N[C@H]1CCN(C2CCCC2)C1)c1cc(F)cc(Br)c1[O-] ZINC000436852794 501221578 /nfs/dbraw/zinc/22/15/78/501221578.db2.gz AZKBYDWGNQHLFI-NSHDSACASA-N -1 3 371.250 3.041 20 0 FGADHM COCCNc1ccc(CNC(=O)c2cc3c(cc2[O-])CCCC3)cc1 ZINC000436858646 501222355 /nfs/dbraw/zinc/22/23/55/501222355.db2.gz GLZWXLLYOKGRHZ-UHFFFAOYSA-N -1 3 354.450 3.259 20 0 FGADHM COC(=O)[C@@H]1CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])[C@@H]1C ZINC000436866896 501223889 /nfs/dbraw/zinc/22/38/89/501223889.db2.gz ZMAIDSQVLWEFPA-CZUORRHYSA-N -1 3 355.390 3.208 20 0 FGADHM COc1cccc(C(=O)NC[C@@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)c1[O-] ZINC000436878841 501225968 /nfs/dbraw/zinc/22/59/68/501225968.db2.gz VAWMNQROVXNEAB-RXVVDRJESA-N -1 3 373.424 3.044 20 0 FGADHM CCC1(CC)[C@H](N(C)C(=O)c2cc(OC)c([O-])c(OC)c2)C[C@@H]1OC ZINC000436878424 501226074 /nfs/dbraw/zinc/22/60/74/501226074.db2.gz CPOVCTUYDKPAIR-CVEARBPZSA-N -1 3 351.443 3.075 20 0 FGADHM COc1cc(-c2noc(CCC(=O)c3ccc(Cl)cn3)n2)ccc1[O-] ZINC000436877371 501226168 /nfs/dbraw/zinc/22/61/68/501226168.db2.gz OOYPXQVRUKTRQS-UHFFFAOYSA-N -1 3 359.769 3.315 20 0 FGADHM COc1cccc([C@@H]2[C@H](NC(=O)c3ccc(F)cc3[O-])CCN2C2CC2)c1 ZINC000436890835 501227585 /nfs/dbraw/zinc/22/75/85/501227585.db2.gz VJSTVKGLJUFGKN-UYAOXDASSA-N -1 3 370.424 3.248 20 0 FGADHM CC(C)c1ccc(-c2noc(CN3CCC(c4n[n-]c(=O)o4)CC3)n2)cc1 ZINC000450914026 501228952 /nfs/dbraw/zinc/22/89/52/501228952.db2.gz KRSHXIWTEZMLMN-UHFFFAOYSA-N -1 3 369.425 3.328 20 0 FGADHM O=C(N[C@@H](CO)c1ccsc1)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436903555 501230245 /nfs/dbraw/zinc/23/02/45/501230245.db2.gz IPMQAGQQNBNLNE-SFHVURJKSA-N -1 3 369.442 3.496 20 0 FGADHM Cc1cc(C)cc(CN(C)C(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])c1 ZINC000436903305 501230329 /nfs/dbraw/zinc/23/03/29/501230329.db2.gz SUQLPPSPHDIRNV-LJQANCHMSA-N -1 3 366.461 3.272 20 0 FGADHM COCc1ccsc1C(=O)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1 ZINC000436917755 501232736 /nfs/dbraw/zinc/23/27/36/501232736.db2.gz FDCMMVWFGKBLDU-UHFFFAOYSA-N -1 3 364.814 3.291 20 0 FGADHM CO[C@H](C)CS(=O)(=O)[N-]c1ccc(-c2nc3ccccc3n2C)cc1 ZINC000450976842 501236423 /nfs/dbraw/zinc/23/64/23/501236423.db2.gz ZZUYJMXAOHJIHK-CYBMUJFWSA-N -1 3 359.451 3.017 20 0 FGADHM CO[C@H](C)CS(=O)(=O)[N-]c1cccnc1Nc1ccc(Cl)cc1 ZINC000450982137 501236798 /nfs/dbraw/zinc/23/67/98/501236798.db2.gz RZPMUOFZXCUMOH-LLVKDONJSA-N -1 3 355.847 3.255 20 0 FGADHM COc1ccc(OC)c([C@H](C)[N-]S(=O)(=O)c2sccc2Cl)c1 ZINC000450995078 501237657 /nfs/dbraw/zinc/23/76/57/501237657.db2.gz BAYNHDLRLXHEBF-VIFPVBQESA-N -1 3 361.872 3.458 20 0 FGADHM COC(=O)c1ncc([N-]S(=O)(=O)CCC2CCCCC2)cc1Cl ZINC000451026209 501240229 /nfs/dbraw/zinc/24/02/29/501240229.db2.gz LDLLKAJOTBNWRO-UHFFFAOYSA-N -1 3 360.863 3.234 20 0 FGADHM CC[C@@H]([N-]S(=O)(=O)c1ccc(NC(C)=O)c2ccccc21)C(F)F ZINC000451085536 501244351 /nfs/dbraw/zinc/24/43/51/501244351.db2.gz SKXVEUMYEBIGQH-CYBMUJFWSA-N -1 3 356.394 3.120 20 0 FGADHM CCN(CC)[C@@H](C[N-]S(=O)(=O)c1sccc1Cl)c1ccco1 ZINC000451129849 501247353 /nfs/dbraw/zinc/24/73/53/501247353.db2.gz JPUSVQOWAMVTLI-LBPRGKRZSA-N -1 3 362.904 3.356 20 0 FGADHM CC[C@@H]([N-]S(=O)(=O)c1ccc(NC(=O)C(C)C)cc1)c1nccs1 ZINC000451214648 501252811 /nfs/dbraw/zinc/25/28/11/501252811.db2.gz DIYLIRIZJCJZHQ-CQSZACIVSA-N -1 3 367.496 3.167 20 0 FGADHM CCOc1nc2cc(C(=O)N(C)Cc3cc(C(C)(C)C)n[nH]3)ccc2[n-]1 ZINC000451224062 501253363 /nfs/dbraw/zinc/25/33/63/501253363.db2.gz BVDNNQDYOXSXMM-UHFFFAOYSA-N -1 3 355.442 3.254 20 0 FGADHM CO[C@@H](C[N-]S(=O)(=O)C[C@@H]1CCCC1(F)F)c1ccc(Cl)cc1 ZINC000451242637 501254284 /nfs/dbraw/zinc/25/42/84/501254284.db2.gz JFVZMISJRLZMSS-JSGCOSHPSA-N -1 3 367.845 3.382 20 0 FGADHM O=S(=O)(Cc1c(F)cccc1Cl)[N-][C@@H]1CCCC[C@H]1n1cccn1 ZINC000451273935 501256944 /nfs/dbraw/zinc/25/69/44/501256944.db2.gz OJSNWHNDCYHJEC-HZPDHXFCSA-N -1 3 371.865 3.279 20 0 FGADHM CO[C@@H](C[N-]S(=O)(=O)C[C@H]1CCCC1(F)F)c1cccc(Cl)c1 ZINC000451289550 501257627 /nfs/dbraw/zinc/25/76/27/501257627.db2.gz XQPJUULZYUOIPG-OCCSQVGLSA-N -1 3 367.845 3.382 20 0 FGADHM COc1ccc(C[C@H](C)C[N-]S(=O)(=O)c2cc(C)cs2)cc1OC ZINC000451354201 501273199 /nfs/dbraw/zinc/27/31/99/501273199.db2.gz MKNAFFGRSYNDRH-LBPRGKRZSA-N -1 3 369.508 3.231 20 0 FGADHM Cc1ccnc([C@H]([N-]S(=O)(=O)c2cc3cc(F)ccc3o2)C2CC2)n1 ZINC000451364488 501275823 /nfs/dbraw/zinc/27/58/23/501275823.db2.gz DFMGEYHKYASJDQ-MRXNPFEDSA-N -1 3 361.398 3.100 20 0 FGADHM O=c1nc(CN2CCC[C@H](CCO)C2)[n-]c2scc(-c3ccco3)c21 ZINC000607733560 506245764 /nfs/dbraw/zinc/24/57/64/506245764.db2.gz ZODCCDGULFJSFM-GFCCVEGCSA-N -1 3 359.451 3.251 20 0 FGADHM C[C@H]1Oc2ccccc2[C@H]1[N-]S(=O)(=O)Cc1c(F)cccc1Cl ZINC000451556686 501323232 /nfs/dbraw/zinc/32/32/32/501323232.db2.gz NFJUPZYBAASRGO-HWPZZCPQSA-N -1 3 355.818 3.421 20 0 FGADHM CC1(F)CC([N-]S(=O)(=O)c2cc(Br)cc3cccnc32)C1 ZINC000451635629 501340904 /nfs/dbraw/zinc/34/09/04/501340904.db2.gz WDRDNCQXIAJRMM-UHFFFAOYSA-N -1 3 373.247 3.166 20 0 FGADHM O=C(NCCC1CC(F)(F)C1)NCc1ccc([O-])c(Br)c1 ZINC000455594402 501341877 /nfs/dbraw/zinc/34/18/77/501341877.db2.gz IVYZZTUAXAHDPM-UHFFFAOYSA-N -1 3 363.202 3.389 20 0 FGADHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Br)o2)c2ccccc2O1 ZINC000451708836 501356718 /nfs/dbraw/zinc/35/67/18/501356718.db2.gz JGBCSPIWQCCWGO-MWLCHTKSSA-N -1 3 372.240 3.233 20 0 FGADHM CC[C@@H](CC(F)(F)F)C(=O)N=c1nc(-c2ccccc2Cl)[n-]n1C ZINC000451837475 501383066 /nfs/dbraw/zinc/38/30/66/501383066.db2.gz LVVGNDJLYVUFLU-VIFPVBQESA-N -1 3 360.767 3.475 20 0 FGADHM Cc1cc(Br)c(S(=O)(=O)[N-]Cc2cnccc2C)s1 ZINC000451881994 501392613 /nfs/dbraw/zinc/39/26/13/501392613.db2.gz QHIAMMAJTXSOTG-UHFFFAOYSA-N -1 3 361.286 3.001 20 0 FGADHM CCCc1ncc(C[N-]S(=O)(=O)Cc2cccc(C(F)(F)F)c2)o1 ZINC000451956720 501407766 /nfs/dbraw/zinc/40/77/66/501407766.db2.gz IHQOIOMYXGQQDB-UHFFFAOYSA-N -1 3 362.373 3.266 20 0 FGADHM CCc1ncc(C[N-]S(=O)(=O)c2ccc(OCCC(C)C)cc2)o1 ZINC000451963567 501409753 /nfs/dbraw/zinc/40/97/53/501409753.db2.gz ZUNXTMBDHXOZAK-UHFFFAOYSA-N -1 3 352.456 3.140 20 0 FGADHM Cc1cc(Br)c(S(=O)(=O)[N-]C2(C3(C)CC3)CC2)s1 ZINC000451997898 501415810 /nfs/dbraw/zinc/41/58/10/501415810.db2.gz SNIBFUHQSNUKPS-UHFFFAOYSA-N -1 3 350.303 3.430 20 0 FGADHM CCn1cc([C@@H](C)[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)cn1 ZINC000451997550 501415175 /nfs/dbraw/zinc/41/51/75/501415175.db2.gz AHXKLDKJEUGLCA-MRVPVSSYSA-N -1 3 366.245 3.388 20 0 FGADHM C[C@@H](CN(C)C(=O)c1cc([O-])ccc1C(F)(F)F)C(=O)OC(C)(C)C ZINC000458377277 501431210 /nfs/dbraw/zinc/43/12/10/501431210.db2.gz AZHSXSNAVQWEAX-JTQLQIEISA-N -1 3 361.360 3.461 20 0 FGADHM Cc1cccc(F)c1S(=O)(=O)[N-][C@H](c1cccs1)C1(CO)CCC1 ZINC000452093300 501433082 /nfs/dbraw/zinc/43/30/82/501433082.db2.gz UEWRBVSASQHIIO-MRXNPFEDSA-N -1 3 369.483 3.378 20 0 FGADHM COC(=O)c1c(C)csc1[N-]C(=O)C(=O)N(C)Cc1ccc(C)c(C)c1 ZINC000454072965 501454292 /nfs/dbraw/zinc/45/42/92/501454292.db2.gz JEQXPKCFPHFUKI-UHFFFAOYSA-N -1 3 374.462 3.057 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H]2CCCc3c(F)cc(F)cc32)c1 ZINC000452187215 501456674 /nfs/dbraw/zinc/45/66/74/501456674.db2.gz KVWNMWMYECMUNY-KRWDZBQOSA-N -1 3 360.360 3.436 20 0 FGADHM CCOc1nc2cc(C(=O)N[C@H](CC)COCC(F)(F)F)ccc2[n-]1 ZINC000452332872 501479645 /nfs/dbraw/zinc/47/96/45/501479645.db2.gz BCHRCZPOLCTGIN-LLVKDONJSA-N -1 3 359.348 3.049 20 0 FGADHM CCOc1nc2ccc(C(=O)N[C@H](CC)COCC(F)(F)F)cc2[n-]1 ZINC000452332872 501479648 /nfs/dbraw/zinc/47/96/48/501479648.db2.gz BCHRCZPOLCTGIN-LLVKDONJSA-N -1 3 359.348 3.049 20 0 FGADHM CC[C@H](C)[C@H](CNC(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1)OC ZINC000452415471 501495480 /nfs/dbraw/zinc/49/54/80/501495480.db2.gz PUYQIWXZHLRLKY-LIRRHRJNSA-N -1 3 355.434 3.414 20 0 FGADHM CC(C)[C@@H]1CN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])[C@H]1C(C)C ZINC000456360950 501508699 /nfs/dbraw/zinc/50/86/99/501508699.db2.gz ZIYRWCHLRLEGAN-SCTDSRPQSA-N -1 3 358.482 3.136 20 0 FGADHM CCOc1ncc(C)cc1NC(=O)Cc1ccc(Br)cc1[O-] ZINC000452683150 501544020 /nfs/dbraw/zinc/54/40/20/501544020.db2.gz MUHIYBMAJMBZFQ-UHFFFAOYSA-N -1 3 365.227 3.438 20 0 FGADHM COC(=O)[C@@H]1CCC[C@H](C(=O)Nc2c([O-])ccc(Br)c2C)C1 ZINC000452756151 501557613 /nfs/dbraw/zinc/55/76/13/501557613.db2.gz OIVBLWAQYZRDTP-WDEREUQCSA-N -1 3 370.243 3.381 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CCCN(C)c3ccccc32)c1 ZINC000456616568 501559585 /nfs/dbraw/zinc/55/95/85/501559585.db2.gz XXIGFHHIUNPAHH-QGZVFWFLSA-N -1 3 353.422 3.052 20 0 FGADHM CC(C)c1ccc(C(=O)N2CCN(CC(F)(F)F)C[C@H](C)C2)c([O-])c1 ZINC000456634645 501562822 /nfs/dbraw/zinc/56/28/22/501562822.db2.gz DAPUSVQKJKOXDI-ZDUSSCGKSA-N -1 3 358.404 3.472 20 0 FGADHM CCc1cc(C(=O)NCc2nc(C)c(Br)s2)ccc1[O-] ZINC000452819458 501568024 /nfs/dbraw/zinc/56/80/24/501568024.db2.gz OQBATDGMLBPRRK-UHFFFAOYSA-N -1 3 355.257 3.412 20 0 FGADHM CC(C)(C)O[C@@H]1C[C@@H](NC(=O)c2cc([O-])ccc2Cl)[C@H]1n1cccn1 ZINC000456682313 501575854 /nfs/dbraw/zinc/57/58/54/501575854.db2.gz YOKJKKLUFXKHRT-BZUAXINKSA-N -1 3 363.845 3.169 20 0 FGADHM CC(C)[C@@H]1C[C@@H](CNC(=O)Cc2ccc(Br)cc2[O-])CCO1 ZINC000452862178 501576089 /nfs/dbraw/zinc/57/60/89/501576089.db2.gz YKBJOCOPLWJPCQ-LRDDRELGSA-N -1 3 370.287 3.265 20 0 FGADHM O=C(c1ccc2n[n-]nc2c1)N1CCC(Cc2cc(F)ccc2F)CC1 ZINC000456855555 501611051 /nfs/dbraw/zinc/61/10/51/501611051.db2.gz YEBBIDHNUCCHHB-UHFFFAOYSA-N -1 3 356.376 3.331 20 0 FGADHM Cc1ccc(CN(C)C(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)cc1C ZINC000456961017 501626292 /nfs/dbraw/zinc/62/62/92/501626292.db2.gz LOHHMIXQKBUREN-UHFFFAOYSA-N -1 3 364.442 3.086 20 0 FGADHM O=C(CCC1CCCCC1)N1CCN(Cc2cc(=O)[n-]c(C3CC3)n2)CC1 ZINC000459306388 501628453 /nfs/dbraw/zinc/62/84/53/501628453.db2.gz QBISNGVGKCEMDB-UHFFFAOYSA-N -1 3 372.513 3.064 20 0 FGADHM CCO[C@@H]1CCC[C@H]1NC(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000456976086 501628669 /nfs/dbraw/zinc/62/86/69/501628669.db2.gz ILHSPWKLBKXCPG-RTBURBONSA-N -1 3 353.418 3.311 20 0 FGADHM CCOc1cc(CN(CCOC)CC(F)F)cc(Br)c1[O-] ZINC000459321439 501630669 /nfs/dbraw/zinc/63/06/69/501630669.db2.gz GYJROTRMNFIISD-UHFFFAOYSA-N -1 3 368.218 3.267 20 0 FGADHM COCCOc1ccccc1CNCc1cccc([O-])c1Br ZINC000459365979 501640369 /nfs/dbraw/zinc/64/03/69/501640369.db2.gz CEDNUGZWYWLJML-UHFFFAOYSA-N -1 3 366.255 3.470 20 0 FGADHM CC[S@](=O)[C@@H]1CCC[C@@H](NCc2cccc([O-])c2Br)C1 ZINC000459425068 501651342 /nfs/dbraw/zinc/65/13/42/501651342.db2.gz LMRCJJYXFZIMLS-IZDJOXEWSA-N -1 3 360.317 3.324 20 0 FGADHM COc1ccc(CN(Cc2cc(=O)[n-]c(C3CC3)n2)CC2CC2)c(OC)c1 ZINC000459458896 501657512 /nfs/dbraw/zinc/65/75/12/501657512.db2.gz ZMDQUYMCLLJKQJ-UHFFFAOYSA-N -1 3 369.465 3.489 20 0 FGADHM Cc1ccc2[n-]cc(C(=O)N3CC[C@](C)(C(=O)OC(C)(C)C)C3)c(=O)c2c1 ZINC000457230800 501669325 /nfs/dbraw/zinc/66/93/25/501669325.db2.gz KUAHTWUVRQPITH-NRFANRHFSA-N -1 3 370.449 3.030 20 0 FGADHM CCOc1cc(CNCc2cccc(N3CCC3=O)c2)cc(Cl)c1[O-] ZINC000459531181 501670905 /nfs/dbraw/zinc/67/09/05/501670905.db2.gz NPBJQEILHGFPIW-UHFFFAOYSA-N -1 3 360.841 3.471 20 0 FGADHM CCOc1cc(CN[C@H](C)C(=O)OC(C)(C)C)cc(Br)c1[O-] ZINC000459540860 501672755 /nfs/dbraw/zinc/67/27/55/501672755.db2.gz VGZQEMYOIGHXOT-SNVBAGLBSA-N -1 3 374.275 3.373 20 0 FGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@]1(C)CCCC[C@@H]1C ZINC000457278901 501675354 /nfs/dbraw/zinc/67/53/54/501675354.db2.gz YRCVQOQXKSNREJ-LHSJRXKWSA-N -1 3 368.481 3.158 20 0 FGADHM CC[C@@]1(C(C)C)C[C@H]1NC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000457281655 501675522 /nfs/dbraw/zinc/67/55/22/501675522.db2.gz MPINZBUUSGAJOH-UTKZUKDTSA-N -1 3 368.481 3.014 20 0 FGADHM CC[C@]1(C(C)C)C[C@@H]1NC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000457281653 501675634 /nfs/dbraw/zinc/67/56/34/501675634.db2.gz MPINZBUUSGAJOH-LAUBAEHRSA-N -1 3 368.481 3.014 20 0 FGADHM COc1ccc(CN2CC3(CCC3)[C@H]3COC[C@@H]32)c(Br)c1[O-] ZINC000459667472 501695901 /nfs/dbraw/zinc/69/59/01/501695901.db2.gz CPUYBWDKDMENIT-STQMWFEESA-N -1 3 368.271 3.164 20 0 FGADHM CCOC(=O)c1sc([N-]C(=O)c2cc(Br)co2)nc1C ZINC000459869344 501720669 /nfs/dbraw/zinc/72/06/69/501720669.db2.gz UBVOCKDZLJCGGS-UHFFFAOYSA-N -1 3 359.201 3.236 20 0 FGADHM CCCN(CC)CC[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000474181738 501734635 /nfs/dbraw/zinc/73/46/35/501734635.db2.gz IUNACATXVMGTQB-UHFFFAOYSA-N -1 3 372.840 3.369 20 0 FGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]C[C@H](C)C(=O)OC(C)C ZINC000470615749 501744573 /nfs/dbraw/zinc/74/45/73/501744573.db2.gz ZHYDEVFXCAYGPV-JTQLQIEISA-N -1 3 373.858 3.261 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Br)cn1)[C@H](C)c1ccccc1 ZINC000474217100 501748007 /nfs/dbraw/zinc/74/80/07/501748007.db2.gz QJTMYPCUERVBQC-NWDGAFQWSA-N -1 3 369.284 3.315 20 0 FGADHM Cc1ccc(-c2csc(CS(=O)(=O)c3nc4c([n-]3)CCC4)n2)cc1 ZINC000582523086 506271645 /nfs/dbraw/zinc/27/16/45/506271645.db2.gz XAGCMKNCFLAGBS-UHFFFAOYSA-N -1 3 359.476 3.304 20 0 FGADHM COc1ccc([O-])c(C(=O)N[C@@H](C)c2ccc(Br)cn2)c1 ZINC000477764054 501780548 /nfs/dbraw/zinc/78/05/48/501780548.db2.gz KCZGIMMENNVNRG-VIFPVBQESA-N -1 3 351.200 3.049 20 0 FGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](C)C2CCOCC2)c1Cl ZINC000474305722 501783318 /nfs/dbraw/zinc/78/33/18/501783318.db2.gz VUOLFKFDCDIGPT-SNVBAGLBSA-N -1 3 352.283 3.395 20 0 FGADHM CCN(CC)[C@@H](C[N-]S(=O)(=O)c1nc(C)c(C)s1)c1ccsc1 ZINC000470765055 501795374 /nfs/dbraw/zinc/79/53/74/501795374.db2.gz LSCDZHIVDIFXGQ-AWEZNQCLSA-N -1 3 373.569 3.183 20 0 FGADHM CC(C)CCC1CCN(C(=O)[C@@H](C)[N-]S(=O)(=O)c2cccs2)CC1 ZINC000470779059 501798970 /nfs/dbraw/zinc/79/89/70/501798970.db2.gz KQGBTYBQFGDCMY-CQSZACIVSA-N -1 3 372.556 3.090 20 0 FGADHM CCOC(=O)[C@@H](CC)N(C(=O)CCCc1ccc([O-])c(F)c1)C1CC1 ZINC000470798596 501806316 /nfs/dbraw/zinc/80/63/16/501806316.db2.gz QRRVSDVRQIAGOU-MRXNPFEDSA-N -1 3 351.418 3.187 20 0 FGADHM COCc1cc(C(=O)[N-]c2nc3cc4c(cc3s2)OC(F)(F)O4)no1 ZINC000463744759 501810418 /nfs/dbraw/zinc/81/04/18/501810418.db2.gz MDOYLUHHIVMYIR-UHFFFAOYSA-N -1 3 369.305 3.005 20 0 FGADHM COC(=O)C1([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)CCCCC1 ZINC000485427237 501818307 /nfs/dbraw/zinc/81/83/07/501818307.db2.gz UUZQCUDTUQEEHB-UHFFFAOYSA-N -1 3 366.266 3.148 20 0 FGADHM CCN=c1[n-]c(C(=O)N[C@H](C)[C@@H](OC)c2ccccc2Cl)cs1 ZINC000485427697 501818719 /nfs/dbraw/zinc/81/87/19/501818719.db2.gz DFTDVJRUXLYDKO-QMTHXVAHSA-N -1 3 353.875 3.156 20 0 FGADHM O=S(=O)([N-]C[C@H]1COc2ccccc2O1)c1ccc(Cl)cc1Cl ZINC000485431716 501819477 /nfs/dbraw/zinc/81/94/77/501819477.db2.gz DCVMORJCOKERLP-NSHDSACASA-N -1 3 374.245 3.112 20 0 FGADHM Cn1c2ccccc2nc1C(C)(C)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000474412241 501826116 /nfs/dbraw/zinc/82/61/16/501826116.db2.gz MKZHSXUBWGFKRS-UHFFFAOYSA-N -1 3 360.417 3.080 20 0 FGADHM COC(=O)CCSc1ncccc1[N-]C(=O)c1c(F)cccc1F ZINC000460464458 501830025 /nfs/dbraw/zinc/83/00/25/501830025.db2.gz GRMZIJVUKLMDGB-UHFFFAOYSA-N -1 3 352.362 3.267 20 0 FGADHM CCOC(=O)c1c(C2CC2)csc1[N-]C(=O)C(=O)N(C)[C@H](C)C(C)C ZINC000467630024 501835817 /nfs/dbraw/zinc/83/58/17/501835817.db2.gz PTXOVTDAYDUVEP-LLVKDONJSA-N -1 3 366.483 3.244 20 0 FGADHM O=C(c1cccc([O-])c1)N1CCN(C(=O)c2cccc3ccsc32)CC1 ZINC000467635817 501837349 /nfs/dbraw/zinc/83/73/49/501837349.db2.gz NFNOCEYBVKYHPQ-UHFFFAOYSA-N -1 3 366.442 3.205 20 0 FGADHM COc1c(F)ccc(F)c1C(=O)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1 ZINC000467717385 501853019 /nfs/dbraw/zinc/85/30/19/501853019.db2.gz BQBPMQNDNCFTGB-UHFFFAOYSA-N -1 3 365.286 3.316 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H]3CCCc4nccn43)c2)n1 ZINC000485591314 501871362 /nfs/dbraw/zinc/87/13/62/501871362.db2.gz GEZUODQOFXEGLG-INIZCTEOSA-N -1 3 363.421 3.124 20 0 FGADHM O=S(=O)([N-]Cc1nccn1-c1ccccc1)c1ccc(Cl)s1 ZINC000460592111 501871444 /nfs/dbraw/zinc/87/14/44/501871444.db2.gz RDNKUVGLRMEOGD-UHFFFAOYSA-N -1 3 353.856 3.066 20 0 FGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1cc(Br)ccc1F ZINC000474549728 501873009 /nfs/dbraw/zinc/87/30/09/501873009.db2.gz DDVVOTZLMNLEOT-UHFFFAOYSA-N -1 3 372.219 3.366 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1Cl)[C@@H](c1ccccc1)N(C)C ZINC000474573384 501880411 /nfs/dbraw/zinc/88/04/11/501880411.db2.gz FUXDYJHILBRSSA-PXAZEXFGSA-N -1 3 370.877 3.449 20 0 FGADHM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(CN(C)C)c(Cl)c2)c1 ZINC000481869236 501904587 /nfs/dbraw/zinc/90/45/87/501904587.db2.gz QOULROAXJQFECQ-UHFFFAOYSA-N -1 3 366.870 3.405 20 0 FGADHM CCc1cc(C(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)ccc1[O-] ZINC000485701223 501906761 /nfs/dbraw/zinc/90/67/61/501906761.db2.gz MKPIELOUCGODFE-KRWDZBQOSA-N -1 3 352.434 3.446 20 0 FGADHM CCCCc1nc(C(=O)OCC)c(NC(=O)c2c(F)cccc2F)[n-]1 ZINC000485706782 501908872 /nfs/dbraw/zinc/90/88/72/501908872.db2.gz UHBMVWMEEWBFLY-UHFFFAOYSA-N -1 3 351.353 3.460 20 0 FGADHM CCCCc1nc(NC(=O)c2c(F)cccc2F)c(C(=O)OCC)[n-]1 ZINC000485706782 501908875 /nfs/dbraw/zinc/90/88/75/501908875.db2.gz UHBMVWMEEWBFLY-UHFFFAOYSA-N -1 3 351.353 3.460 20 0 FGADHM COCc1nc(SCc2nc3ccc(Br)cc3o2)n[n-]1 ZINC000460874733 501947128 /nfs/dbraw/zinc/94/71/28/501947128.db2.gz XVQVOIRFCPBLHN-UHFFFAOYSA-N -1 3 355.217 3.147 20 0 FGADHM CC1(C)CCC[C@H]1NC(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482043354 501955865 /nfs/dbraw/zinc/95/58/65/501955865.db2.gz DOQVHTDOANVCSV-GFCCVEGCSA-N -1 3 351.248 3.219 20 0 FGADHM CCc1ncc(S(=O)(=O)[N-]C2(c3nc(C)cs3)CCCC2)s1 ZINC000460940774 501963811 /nfs/dbraw/zinc/96/38/11/501963811.db2.gz QQGDQQPDMWSQKL-UHFFFAOYSA-N -1 3 357.526 3.218 20 0 FGADHM CCc1ncc(S(=O)(=O)[N-][C@@H]2C[C@@H]2c2c(F)cccc2Cl)s1 ZINC000460942215 501965533 /nfs/dbraw/zinc/96/55/33/501965533.db2.gz XNDGIPSSPBCJPP-GZMMTYOYSA-N -1 3 360.863 3.332 20 0 FGADHM CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-][C@H](CC)c1ccccc1 ZINC000485865142 501966808 /nfs/dbraw/zinc/96/68/08/501966808.db2.gz PNEONQRNINZOGR-CYBMUJFWSA-N -1 3 351.424 3.058 20 0 FGADHM CCc1ncc(S(=O)(=O)[N-][C@@H](C)[C@@H](OC)c2ccc(Cl)cc2)s1 ZINC000460948697 501967021 /nfs/dbraw/zinc/96/70/21/501967021.db2.gz KILMKSXDCRRYCG-ZUZCIYMTSA-N -1 3 374.915 3.413 20 0 FGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)NCC1(C2CC2)CCC1 ZINC000482081445 501968240 /nfs/dbraw/zinc/96/82/40/501968240.db2.gz VYYZCISCWAAKCY-UHFFFAOYSA-N -1 3 363.259 3.221 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-]Cc1csc(Br)c1 ZINC000471319399 501989174 /nfs/dbraw/zinc/98/91/74/501989174.db2.gz GABKPUUFAWEWOO-UHFFFAOYSA-N -1 3 368.299 3.059 20 0 FGADHM C[C@@H]1CC[C@@H](CNC(=O)N=c2cc3ccc(Br)cn3[n-]2)C1 ZINC000482188770 502002207 /nfs/dbraw/zinc/00/22/07/502002207.db2.gz SBTMGIHKBXBANU-GHMZBOCLSA-N -1 3 351.248 3.076 20 0 FGADHM C[C@H](CSCc1ccccc1)C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000482221713 502012004 /nfs/dbraw/zinc/01/20/04/502012004.db2.gz ZTBYGWVGMFIIRK-SNVBAGLBSA-N -1 3 358.389 3.009 20 0 FGADHM C[C@H](CSCc1ccccc1)C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000482221713 502012008 /nfs/dbraw/zinc/01/20/08/502012008.db2.gz ZTBYGWVGMFIIRK-SNVBAGLBSA-N -1 3 358.389 3.009 20 0 FGADHM C[C@H](CSCc1ccccc1)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000482221713 502012011 /nfs/dbraw/zinc/01/20/11/502012011.db2.gz ZTBYGWVGMFIIRK-SNVBAGLBSA-N -1 3 358.389 3.009 20 0 FGADHM Cc1cccc(-c2noc(-c3ccc(F)c([N-]S(C)(=O)=O)c3)n2)c1F ZINC000485992204 502013082 /nfs/dbraw/zinc/01/30/82/502013082.db2.gz SDVORBVKODHKHS-UHFFFAOYSA-N -1 3 365.361 3.362 20 0 FGADHM CC(=O)c1cc(F)c([N-]C(=O)c2ccnc(-n3cccn3)c2)c(F)c1F ZINC000461103842 502014077 /nfs/dbraw/zinc/01/40/77/502014077.db2.gz PIFRZBXMRUTZLU-UHFFFAOYSA-N -1 3 360.295 3.140 20 0 FGADHM CC(C)Oc1ccc(Cl)cc1C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000482236162 502016072 /nfs/dbraw/zinc/01/60/72/502016072.db2.gz SSZVKSLBZXKLBD-UHFFFAOYSA-N -1 3 362.739 3.194 20 0 FGADHM CC(C)Oc1ccc(Cl)cc1C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000482236162 502016078 /nfs/dbraw/zinc/01/60/78/502016078.db2.gz SSZVKSLBZXKLBD-UHFFFAOYSA-N -1 3 362.739 3.194 20 0 FGADHM CC(C)Oc1ccc(Cl)cc1C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000482236162 502016085 /nfs/dbraw/zinc/01/60/85/502016085.db2.gz SSZVKSLBZXKLBD-UHFFFAOYSA-N -1 3 362.739 3.194 20 0 FGADHM CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2c(C)cccc2F)c1 ZINC000461110174 502016142 /nfs/dbraw/zinc/01/61/42/502016142.db2.gz GPGKAEKPIULFDQ-UHFFFAOYSA-N -1 3 355.362 3.251 20 0 FGADHM C[C@@H]1CCCN(C(=O)N=c2cc3ccc(Br)cn3[n-]2)[C@H]1C ZINC000482242237 502017430 /nfs/dbraw/zinc/01/74/30/502017430.db2.gz OKJXGNCBMZPPMU-MNOVXSKESA-N -1 3 351.248 3.171 20 0 FGADHM COC(=O)c1cc(S(=O)(=O)[N-]c2c(C)cccc2Cl)ccc1OC ZINC000461131621 502022438 /nfs/dbraw/zinc/02/24/38/502022438.db2.gz XUQLVWZWCGZDSQ-UHFFFAOYSA-N -1 3 369.826 3.244 20 0 FGADHM O=C(CNC(=O)c1cccc([O-])c1)NCC(c1ccccc1)c1ccccc1 ZINC000471426238 502024601 /nfs/dbraw/zinc/02/46/01/502024601.db2.gz DHANVQHJVICDQB-UHFFFAOYSA-N -1 3 374.440 3.070 20 0 FGADHM COc1cccc2c(C(=O)Nc3cc4c(cc3SC)OCCO4)[n-]nc21 ZINC000486035593 502025480 /nfs/dbraw/zinc/02/54/80/502025480.db2.gz KMDKBPUNEIUSRL-UHFFFAOYSA-N -1 3 371.418 3.317 20 0 FGADHM O=C(c1cc(=O)c2cc(Br)ccc2[n-]1)N1CCC[C@@H]1C1CC1 ZINC000602762011 506289115 /nfs/dbraw/zinc/28/91/15/506289115.db2.gz LAXIRBMQLICZMJ-OAHLLOKOSA-N -1 3 361.239 3.305 20 0 FGADHM Cn1[n-]c(-c2ccccc2Cl)nc1=NC(=O)[C@@H]1CSc2ccccc21 ZINC000461237155 502048167 /nfs/dbraw/zinc/04/81/67/502048167.db2.gz OCMLHTBKLCZENR-CYBMUJFWSA-N -1 3 370.865 3.385 20 0 FGADHM C[C@H](Oc1ccccc1F)C(=O)N=c1nc(-c2ccccc2Cl)[n-]n1C ZINC000461240041 502049078 /nfs/dbraw/zinc/04/90/78/502049078.db2.gz JKPJPYAOLYQXHA-NSHDSACASA-N -1 3 374.803 3.103 20 0 FGADHM Cn1[n-]c(-c2ccccc2Cl)nc1=NC(=O)[C@H]1CC[C@H](C(F)(F)F)C1 ZINC000461242309 502049246 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O=C(NCc1n[n-]c(C(F)(F)F)n1)NC1CCC(c2ccccc2)CC1 ZINC000482731025 502163827 /nfs/dbraw/zinc/16/38/27/502163827.db2.gz FAXHZRVSJNZFJL-UHFFFAOYSA-N -1 3 367.375 3.349 20 0 FGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)NC1CCC(c2ccccc2)CC1 ZINC000482731025 502163829 /nfs/dbraw/zinc/16/38/29/502163829.db2.gz FAXHZRVSJNZFJL-UHFFFAOYSA-N -1 3 367.375 3.349 20 0 FGADHM Cc1[nH]n(C)c2nnc([N-]C(=O)c3c(F)cc(C(F)(F)F)cc3F)c1-2 ZINC000486486430 502168844 /nfs/dbraw/zinc/16/88/44/502168844.db2.gz JQSOPWVAZPYUJX-UHFFFAOYSA-N -1 3 359.258 3.154 20 0 FGADHM C[N-]S(=O)(=O)c1cc(NC(=O)NC(CC(C)C)CC(C)C)ccc1F ZINC000486513256 502176792 /nfs/dbraw/zinc/17/67/92/502176792.db2.gz BGZTTYXXEQCTEN-UHFFFAOYSA-N -1 3 373.494 3.316 20 0 FGADHM O=C(NCc1ncccc1[O-])N[C@@H]1COc2c1ccc(Cl)c2Cl ZINC000471980440 502189158 /nfs/dbraw/zinc/18/91/58/502189158.db2.gz RSOXONSCTSKVAO-LLVKDONJSA-N -1 3 354.193 3.027 20 0 FGADHM O=C(N=c1cc(-c2ccccc2)[n-][nH]1)c1ccc(-c2cncnc2)cc1F ZINC000482828424 502190705 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COc1cccc2c1CC[C@H]2[N-]S(=O)(=O)c1cc(F)c(C)cc1F ZINC000475760143 502282856 /nfs/dbraw/zinc/28/28/56/502282856.db2.gz NMKSGLYPMCBCSR-OAHLLOKOSA-N -1 3 353.390 3.248 20 0 FGADHM C[C@@H](CCO)C1(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)CCC1 ZINC000462076580 502297694 /nfs/dbraw/zinc/29/76/94/502297694.db2.gz ROTDAKANGDQAGT-JTQLQIEISA-N -1 3 371.446 3.234 20 0 FGADHM CC[C@H](Oc1ccccc1Cl)C(=O)[N-]c1nc(C)nn1-c1ccccc1 ZINC000479575959 502302643 /nfs/dbraw/zinc/30/26/43/502302643.db2.gz GMMQQGREZOLMAD-INIZCTEOSA-N -1 3 370.840 3.447 20 0 FGADHM C[C@@H](C[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)N1CCC[C@@H](C)C1 ZINC000462105291 502308594 /nfs/dbraw/zinc/30/85/94/502308594.db2.gz OZCHHEKUPQFELC-MNOVXSKESA-N -1 3 370.462 3.166 20 0 FGADHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)C12CCC2 ZINC000462106657 502309714 /nfs/dbraw/zinc/30/97/14/502309714.db2.gz YARZQDSVLZPDSB-VHSXEESVSA-N -1 3 369.430 3.393 20 0 FGADHM CCCc1ccc(-c2cc(=NC(=O)c3scnc3COC)[nH][n-]2)cc1 ZINC000483194998 502310380 /nfs/dbraw/zinc/31/03/80/502310380.db2.gz SMIFCVJOLYYPLB-UHFFFAOYSA-N -1 3 356.451 3.306 20 0 FGADHM COc1nnc(NC(=O)c2ccc3ncn(-c4ccc(Cl)cc4)c3c2)[n-]1 ZINC000486946627 502312259 /nfs/dbraw/zinc/31/22/59/502312259.db2.gz STYBEGPCGSRUGD-UHFFFAOYSA-N -1 3 368.784 3.058 20 0 FGADHM COc1nc(NC(=O)c2ccc3ncn(-c4ccc(Cl)cc4)c3c2)n[n-]1 ZINC000486946627 502312262 /nfs/dbraw/zinc/31/22/62/502312262.db2.gz STYBEGPCGSRUGD-UHFFFAOYSA-N -1 3 368.784 3.058 20 0 FGADHM COc1n[n-]c(NC(=O)c2ccc3ncn(-c4ccc(Cl)cc4)c3c2)n1 ZINC000486946627 502312263 /nfs/dbraw/zinc/31/22/63/502312263.db2.gz STYBEGPCGSRUGD-UHFFFAOYSA-N -1 3 368.784 3.058 20 0 FGADHM CCc1cc(C(=O)N[C@H](CC(C)C)C(=O)Nc2nccs2)ccc1[O-] ZINC000486968172 502318950 /nfs/dbraw/zinc/31/89/50/502318950.db2.gz NXXAADUOIXBAKX-CQSZACIVSA-N -1 3 361.467 3.194 20 0 FGADHM CC(C)(C)OCC(=O)N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1 ZINC000483227769 502319257 /nfs/dbraw/zinc/31/92/57/502319257.db2.gz VJCXIHROUQNVGL-UHFFFAOYSA-N -1 3 370.222 3.154 20 0 FGADHM C[C@H]1CCN(C(=O)c2cccc(N3C(=O)CCC3=O)c2)c2c([O-])cccc21 ZINC000469175007 502324663 /nfs/dbraw/zinc/32/46/63/502324663.db2.gz INTMXGWYQWAEGJ-ZDUSSCGKSA-N -1 3 364.401 3.200 20 0 FGADHM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]CCCC(C)C ZINC000469197264 502333987 /nfs/dbraw/zinc/33/39/87/502333987.db2.gz HJBHASZWVGREMS-ZDUSSCGKSA-N -1 3 363.907 3.468 20 0 FGADHM COc1cc(C(=O)Nc2c(C)[nH]nc2-c2ccccc2)cc(OC)c1[O-] ZINC000487063048 502345538 /nfs/dbraw/zinc/34/55/38/502345538.db2.gz SYJSANZKMSTFBX-UHFFFAOYSA-N -1 3 353.378 3.360 20 0 FGADHM COC(=O)c1c(C)nc(=O)[n-]c1SCC(=O)c1csc2ccccc12 ZINC000475993245 502353120 /nfs/dbraw/zinc/35/31/20/502353120.db2.gz CTUOHMVTMYFBOC-UHFFFAOYSA-N -1 3 374.443 3.467 20 0 FGADHM O=C(N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F)c1csc(=O)[n-]1 ZINC000472497420 502369437 /nfs/dbraw/zinc/36/94/37/502369437.db2.gz JKHIZDGBBUXXOH-SECBINFHSA-N -1 3 368.283 3.484 20 0 FGADHM Cn1nc(C(C)(C)C)cc1C(=O)Nc1nnc(-c2c(F)cccc2F)[n-]1 ZINC000479761892 502370065 /nfs/dbraw/zinc/37/00/65/502370065.db2.gz DMLRGVLDYAMOHS-UHFFFAOYSA-N -1 3 360.368 3.033 20 0 FGADHM Cn1nc(C(C)(C)C)cc1C(=O)Nc1nc(-c2c(F)cccc2F)n[n-]1 ZINC000479761892 502370069 /nfs/dbraw/zinc/37/00/69/502370069.db2.gz DMLRGVLDYAMOHS-UHFFFAOYSA-N -1 3 360.368 3.033 20 0 FGADHM Cn1nc(C(C)(C)C)cc1C(=O)Nc1n[n-]c(-c2c(F)cccc2F)n1 ZINC000479761892 502370072 /nfs/dbraw/zinc/37/00/72/502370072.db2.gz DMLRGVLDYAMOHS-UHFFFAOYSA-N -1 3 360.368 3.033 20 0 FGADHM Cc1cc2c(cc1C)O[C@@H](C(=O)Nc1nnc(-c3c(F)cccc3F)[n-]1)C2 ZINC000479766989 502371774 /nfs/dbraw/zinc/37/17/74/502371774.db2.gz NILJRWUPSXOYJU-OAHLLOKOSA-N -1 3 370.359 3.309 20 0 FGADHM Cc1cc2c(cc1C)O[C@@H](C(=O)Nc1nc(-c3c(F)cccc3F)n[n-]1)C2 ZINC000479766989 502371778 /nfs/dbraw/zinc/37/17/78/502371778.db2.gz NILJRWUPSXOYJU-OAHLLOKOSA-N -1 3 370.359 3.309 20 0 FGADHM Cc1cc2c(cc1C)O[C@@H](C(=O)Nc1n[n-]c(-c3c(F)cccc3F)n1)C2 ZINC000479766989 502371783 /nfs/dbraw/zinc/37/17/83/502371783.db2.gz NILJRWUPSXOYJU-OAHLLOKOSA-N -1 3 370.359 3.309 20 0 FGADHM O=C(Nc1nnc(-c2c(F)cccc2F)[n-]1)c1cccc(-n2cccn2)c1 ZINC000479766872 502372195 /nfs/dbraw/zinc/37/21/95/502372195.db2.gz MXDAIASNYALSAI-UHFFFAOYSA-N -1 3 366.331 3.188 20 0 FGADHM O=C(Nc1nc(-c2c(F)cccc2F)n[n-]1)c1cccc(-n2cccn2)c1 ZINC000479766872 502372202 /nfs/dbraw/zinc/37/22/02/502372202.db2.gz MXDAIASNYALSAI-UHFFFAOYSA-N -1 3 366.331 3.188 20 0 FGADHM O=C(Nc1n[n-]c(-c2c(F)cccc2F)n1)c1cccc(-n2cccn2)c1 ZINC000479766872 502372207 /nfs/dbraw/zinc/37/22/07/502372207.db2.gz MXDAIASNYALSAI-UHFFFAOYSA-N -1 3 366.331 3.188 20 0 FGADHM O=C(c1cc([O-])ccc1C(F)(F)F)N1CCC(Oc2ccccn2)CC1 ZINC000476090325 502381263 /nfs/dbraw/zinc/38/12/63/502381263.db2.gz KUGZIPAJHFEWSS-UHFFFAOYSA-N -1 3 366.339 3.490 20 0 FGADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@@H]1CCCN(c2ccccc2)C1=O ZINC000469392828 502398011 /nfs/dbraw/zinc/39/80/11/502398011.db2.gz HGXHNYACZRKMRX-GOSISDBHSA-N -1 3 370.424 3.166 20 0 FGADHM COC(=O)CCCOc1ccc([N-]S(=O)(=O)c2ccccc2C)cc1 ZINC000487344647 502421561 /nfs/dbraw/zinc/42/15/61/502421561.db2.gz KBUSNVCVAFKNCI-UHFFFAOYSA-N -1 3 363.435 3.128 20 0 FGADHM Cc1ccc(SC[C@@H](C)[N-]S(=O)(=O)c2cn(C(C)C)cn2)cc1 ZINC000472703229 502421961 /nfs/dbraw/zinc/42/19/61/502421961.db2.gz JSOUHIBYKTXOAG-CQSZACIVSA-N -1 3 353.513 3.232 20 0 FGADHM COc1cccc(F)c1[C@H](C)[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000462405614 502425078 /nfs/dbraw/zinc/42/50/78/502425078.db2.gz FATDEBZCKSHSFR-QMMMGPOBSA-N -1 3 363.332 3.291 20 0 FGADHM C[C@H](c1c(F)cccc1F)N(C)C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000483544855 502426752 /nfs/dbraw/zinc/42/67/52/502426752.db2.gz PSEVEDQOTUXZIL-SSDOTTSWSA-N -1 3 363.290 3.004 20 0 FGADHM C[C@H](c1c(F)cccc1F)N(C)C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000483544855 502426754 /nfs/dbraw/zinc/42/67/54/502426754.db2.gz PSEVEDQOTUXZIL-SSDOTTSWSA-N -1 3 363.290 3.004 20 0 FGADHM C[C@H](c1c(F)cccc1F)N(C)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000483544855 502426755 /nfs/dbraw/zinc/42/67/55/502426755.db2.gz PSEVEDQOTUXZIL-SSDOTTSWSA-N -1 3 363.290 3.004 20 0 FGADHM O=S(=O)([N-]C1(c2ccccc2)CCC1)c1ccc(Br)cn1 ZINC000462430310 502436427 /nfs/dbraw/zinc/43/64/27/502436427.db2.gz TXJXTDZHIWAFNR-UHFFFAOYSA-N -1 3 367.268 3.202 20 0 FGADHM CCOc1nc2cc(C(=O)NC[C@@H]3CCN(c4ccccc4)C3)ccc2[n-]1 ZINC000469510988 502445845 /nfs/dbraw/zinc/44/58/45/502445845.db2.gz UXPYVSLBSYPHEC-HNNXBMFYSA-N -1 3 364.449 3.218 20 0 FGADHM CCOc1nc2ccc(C(=O)NC[C@@H]3CCN(c4ccccc4)C3)cc2[n-]1 ZINC000469510988 502445851 /nfs/dbraw/zinc/44/58/51/502445851.db2.gz UXPYVSLBSYPHEC-HNNXBMFYSA-N -1 3 364.449 3.218 20 0 FGADHM COCC[C@H]([N-]S(=O)(=O)c1cnc2ccsc2c1)c1ccc(C)o1 ZINC000480017094 502447523 /nfs/dbraw/zinc/44/75/23/502447523.db2.gz JVDDBPGZQXESHM-ZDUSSCGKSA-N -1 3 366.464 3.254 20 0 FGADHM COCCOc1cccc(CCC(=O)N2CCCc3cccc([O-])c32)c1 ZINC000476330420 502458457 /nfs/dbraw/zinc/45/84/57/502458457.db2.gz GBMWJFZWUGABKY-UHFFFAOYSA-N -1 3 355.434 3.329 20 0 FGADHM O=C(Nc1cc(Br)ccc1[O-])c1n[nH]c2c1CCCCC2 ZINC000476336398 502461178 /nfs/dbraw/zinc/46/11/78/502461178.db2.gz MDVKYMPMETVYNH-UHFFFAOYSA-N -1 3 350.216 3.399 20 0 FGADHM CC(C)(C)c1cccc(NC(=O)c2ccc([N-]S(C)(=O)=O)cc2)c1O ZINC000480079607 502467539 /nfs/dbraw/zinc/46/75/39/502467539.db2.gz IOIPVQFJGDSQJC-UHFFFAOYSA-N -1 3 362.451 3.314 20 0 FGADHM C[C@H](NC(=O)N=c1ncn(C2CCCCC2)[n-]1)[C@@H](c1ccccc1)N(C)C ZINC000480135806 502480783 /nfs/dbraw/zinc/48/07/83/502480783.db2.gz SKPAIULSYAZPQS-YJBOKZPZSA-N -1 3 370.501 3.018 20 0 FGADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@H]2CC=CCC2)s1 ZINC000462547305 502482178 /nfs/dbraw/zinc/48/21/78/502482178.db2.gz FSUVXAPSJPQBOO-JTQLQIEISA-N -1 3 350.303 3.454 20 0 FGADHM CC[C@H](C)Sc1ccc(NC(=O)C(=O)NCc2ncccc2[O-])c(C)c1 ZINC000473034517 502505831 /nfs/dbraw/zinc/50/58/31/502505831.db2.gz ODLSZCQMPIGNOM-ZDUSSCGKSA-N -1 3 373.478 3.241 20 0 FGADHM C[C@@H](NC(=O)c1cnc2c(cnn2C)c1[O-])c1cc2cccc(F)c2o1 ZINC000476518372 502512073 /nfs/dbraw/zinc/51/20/73/502512073.db2.gz CMEIMKFPZLHMPZ-SECBINFHSA-N -1 3 354.341 3.050 20 0 FGADHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cccc(Cl)c2F)C12CCCC2 ZINC000462663444 502526738 /nfs/dbraw/zinc/52/67/38/502526738.db2.gz MXYNIFBUEMAIEY-ZIAGYGMSSA-N -1 3 361.866 3.495 20 0 FGADHM Cc1ccc2[nH]c(CN3CCN(C(=O)c4cccc([O-])c4)CC3)cc2c1C ZINC000473140538 502527110 /nfs/dbraw/zinc/52/71/10/502527110.db2.gz DBUYAAKBAHTXER-UHFFFAOYSA-N -1 3 363.461 3.448 20 0 FGADHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2F)C12CCCC2 ZINC000462664379 502527887 /nfs/dbraw/zinc/52/78/87/502527887.db2.gz XAKLQHJFCBFGGO-LSDHHAIUSA-N -1 3 361.866 3.495 20 0 FGADHM CC(C)n1cnc(S(=O)(=O)[N-]CCCCc2ccc(F)c(F)c2)c1 ZINC000476576349 502531339 /nfs/dbraw/zinc/53/13/39/502531339.db2.gz MWJUEKZOYTYFNK-UHFFFAOYSA-N -1 3 357.426 3.043 20 0 FGADHM C[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1F)Oc1ccccc1F ZINC000462703888 502541027 /nfs/dbraw/zinc/54/10/27/502541027.db2.gz OHEAKQUWUYIVSS-SNVBAGLBSA-N -1 3 361.797 3.364 20 0 FGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CC[C@@H]3CCC[C@H]3C2)c(Cl)c1 ZINC000462711108 502544028 /nfs/dbraw/zinc/54/40/28/502544028.db2.gz YTBPXZRSEFJEFS-SGMGOOAPSA-N -1 3 371.886 3.374 20 0 FGADHM CO[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000462718462 502548620 /nfs/dbraw/zinc/54/86/20/502548620.db2.gz DBACYNOOQPLQSK-VXGBXAGGSA-N -1 3 355.353 3.080 20 0 FGADHM CO[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1sc(C)cc1Br ZINC000462718389 502548631 /nfs/dbraw/zinc/54/86/31/502548631.db2.gz CNIBGIAUVVPHTJ-WDEREUQCSA-N -1 3 368.318 3.055 20 0 FGADHM COC(=O)CC1(CC(=O)N=c2cc(-c3ccccc3C)[n-][nH]2)CCCC1 ZINC000469810650 502553720 /nfs/dbraw/zinc/55/37/20/502553720.db2.gz NXCDIBCNBFUNCZ-UHFFFAOYSA-N -1 3 355.438 3.259 20 0 FGADHM CCc1nn(C)c(CC)c1CC(=O)N=c1cc(-c2cc(C)cc(C)c2)[n-][nH]1 ZINC000484057046 502559110 /nfs/dbraw/zinc/55/91/10/502559110.db2.gz NJUISTFKKXOHAL-UHFFFAOYSA-N -1 3 365.481 3.155 20 0 FGADHM COc1ccc(CNC[C@H](CO)CC2CCCC2)c(Br)c1[O-] ZINC000466408534 502562205 /nfs/dbraw/zinc/56/22/05/502562205.db2.gz HNKAGPMQDBADHF-CYBMUJFWSA-N -1 3 372.303 3.442 20 0 FGADHM COc1cc(Cl)c(S(=O)(=O)[N-]CC2(C(F)F)CC2)cc1Cl ZINC000480420693 502563928 /nfs/dbraw/zinc/56/39/28/502563928.db2.gz NFFNRVBAOUCHFI-UHFFFAOYSA-N -1 3 360.209 3.326 20 0 FGADHM CN(Cc1ccccc1)[C@@H](CN=c1[n-]nc(-c2ccccn2)s1)C1CC1 ZINC000480506012 502586468 /nfs/dbraw/zinc/58/64/68/502586468.db2.gz LMPMXGXJMZVBBT-SFHVURJKSA-N -1 3 365.506 3.345 20 0 FGADHM O=C(Nc1n[nH]c2cc(F)ccc12)c1c[n-]nc1-c1ccc(Cl)cc1 ZINC000476790721 502586853 /nfs/dbraw/zinc/58/68/53/502586853.db2.gz REXVQJZTKQHDRV-UHFFFAOYSA-N -1 3 355.760 3.420 20 0 FGADHM COc1ccc(-c2csc(CNC(=O)c3cc(C)nc(=O)[n-]3)c2)cc1 ZINC000473457098 502597875 /nfs/dbraw/zinc/59/78/75/502597875.db2.gz KAQOEYDQYCBDNZ-UHFFFAOYSA-N -1 3 355.419 3.158 20 0 FGADHM CC(C)c1cc(C(=O)N2CCN(C[C@H](C)O)C[C@H]2C)c([O-])c(C(C)C)c1 ZINC000476841088 502598868 /nfs/dbraw/zinc/59/88/68/502598868.db2.gz FVLLZANEQQWLCY-CVEARBPZSA-N -1 3 362.514 3.166 20 0 FGADHM CCOCc1ccc(-c2ccc(S([O-])=CC(=O)OC)cc2)cc1F ZINC000592985667 506323736 /nfs/dbraw/zinc/32/37/36/506323736.db2.gz BFRWCQVXGCQUDV-XMMPIXPASA-N -1 3 350.411 3.310 20 0 FGADHM C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000484265318 502610502 /nfs/dbraw/zinc/61/05/02/502610502.db2.gz WAELXUBXBLYCCS-QAPCUYQASA-N -1 3 373.497 3.074 20 0 FGADHM COCCC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1sc(C)nc1C ZINC000480609638 502620160 /nfs/dbraw/zinc/62/01/60/502620160.db2.gz HZSDXHGHTVLASK-INIZCTEOSA-N -1 3 368.524 3.076 20 0 FGADHM CCc1c(C(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)cnn1C1CCCC1 ZINC000476920028 502621096 /nfs/dbraw/zinc/62/10/96/502621096.db2.gz JAWMABXOEUWNSA-UHFFFAOYSA-N -1 3 354.414 3.499 20 0 FGADHM CCc1c(C(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)cnn1C1CCCC1 ZINC000476920028 502621100 /nfs/dbraw/zinc/62/11/00/502621100.db2.gz JAWMABXOEUWNSA-UHFFFAOYSA-N -1 3 354.414 3.499 20 0 FGADHM CCc1c(C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)cnn1C1CCCC1 ZINC000476920028 502621105 /nfs/dbraw/zinc/62/11/05/502621105.db2.gz JAWMABXOEUWNSA-UHFFFAOYSA-N -1 3 354.414 3.499 20 0 FGADHM O=C(NCc1ncccc1[O-])c1ccccc1SCc1cscn1 ZINC000473634841 502661684 /nfs/dbraw/zinc/66/16/84/502661684.db2.gz ZPSRJMXAOPPBCN-UHFFFAOYSA-N -1 3 357.460 3.466 20 0 FGADHM CCc1c(C(=O)NCc2ncccc2[O-])cnn1-c1cccc(Cl)c1 ZINC000473635478 502662786 /nfs/dbraw/zinc/66/27/86/502662786.db2.gz JMWVRYDSWVUGSI-UHFFFAOYSA-N -1 3 356.813 3.119 20 0 FGADHM COc1ccc(OCC(=O)Nc2nnc(-c3c(F)cccc3F)[n-]2)cc1C ZINC000488229589 502664553 /nfs/dbraw/zinc/66/45/53/502664553.db2.gz JDGVWUANZPDAOA-UHFFFAOYSA-N -1 3 374.347 3.084 20 0 FGADHM COc1ccc(OCC(=O)Nc2nc(-c3c(F)cccc3F)n[n-]2)cc1C ZINC000488229589 502664558 /nfs/dbraw/zinc/66/45/58/502664558.db2.gz JDGVWUANZPDAOA-UHFFFAOYSA-N -1 3 374.347 3.084 20 0 FGADHM COc1ccc(OCC(=O)Nc2n[n-]c(-c3c(F)cccc3F)n2)cc1C ZINC000488229589 502664562 /nfs/dbraw/zinc/66/45/62/502664562.db2.gz JDGVWUANZPDAOA-UHFFFAOYSA-N -1 3 374.347 3.084 20 0 FGADHM Cc1ccc(F)c(S(=O)(=O)[N-]C[C@@](C)(Cc2ccccc2)[C@@H](C)O)c1 ZINC000480774251 502667782 /nfs/dbraw/zinc/66/77/82/502667782.db2.gz 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O=C(c1c[n-]c2c(OC(F)(F)F)cccc2c1=O)N1C[C@H]2CCC[C@@H]2C1 ZINC000544375808 504108213 /nfs/dbraw/zinc/10/82/13/504108213.db2.gz LGOLZAPCKSKAMA-GHMZBOCLSA-N -1 3 366.339 3.299 20 0 FGADHM O=S(=O)([N-]C[C@@H](O)CCc1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000541390249 504114113 /nfs/dbraw/zinc/11/41/13/504114113.db2.gz NEFCATLWLMTBEW-ZDUSSCGKSA-N -1 3 374.289 3.265 20 0 FGADHM O=c1cc(-c2noc([C@H]3CCCN3Cc3ccc(Cl)cc3)n2)nc[n-]1 ZINC000528217464 504122951 /nfs/dbraw/zinc/12/29/51/504122951.db2.gz FIWDSCRLCXOFPX-CQSZACIVSA-N -1 3 357.801 3.223 20 0 FGADHM Cn1cc(C(=O)[N-]c2nnc(Cc3ccccc3F)s2)c(C(F)F)n1 ZINC000534363922 504123185 /nfs/dbraw/zinc/12/31/85/504123185.db2.gz ZARDFYVJRFKHLC-UHFFFAOYSA-N -1 3 367.356 3.191 20 0 FGADHM COc1cc(=NC(=O)NCc2ccc(C)cc2O[C@H](C)CC(C)C)[n-]n1C ZINC000547515128 504134361 /nfs/dbraw/zinc/13/43/61/504134361.db2.gz BERYEPHTANMGCD-OAHLLOKOSA-N -1 3 374.485 3.294 20 0 FGADHM COc1cc2c(cc1F)[n-]cc(C(=O)NCc1ccc(C)cc1C)c2=O ZINC000538122298 504136855 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CCOc1ccccc1N1C[C@@H](C(=O)Nc2c([O-])cccc2Cl)CC1=O ZINC000552433403 505491147 /nfs/dbraw/zinc/49/11/47/505491147.db2.gz HURBZMWZQNSDFJ-LBPRGKRZSA-N -1 3 374.824 3.436 20 0 FGADHM C[C@H]1C[C@@H]1N1CCN(C(=O)c2cccc(C(F)(F)F)c2[O-])C[C@@H](C)C1 ZINC000564737652 505507514 /nfs/dbraw/zinc/50/75/14/505507514.db2.gz LAIUGPMFWSVYQS-HUBLWGQQSA-N -1 3 356.388 3.213 20 0 FGADHM CC(C)n1cc(CNC(=O)c2cc(OCc3ccccc3)ccc2[O-])nn1 ZINC000552527314 505508559 /nfs/dbraw/zinc/50/85/59/505508559.db2.gz UBQIDOHBPJEQAG-UHFFFAOYSA-N -1 3 366.421 3.074 20 0 FGADHM O=C(NCc1ccc([O-])c(Br)c1)[C@H]1CCc2cccc(O)c21 ZINC000564744791 505509073 /nfs/dbraw/zinc/50/90/73/505509073.db2.gz ZVIPMMCPWNQFKR-LBPRGKRZSA-N -1 3 362.223 3.207 20 0 FGADHM COc1cc(CCNC(=O)c2c[n-]nc2-c2ccccn2)ccc1Cl ZINC000564749873 505509632 /nfs/dbraw/zinc/50/96/32/505509632.db2.gz HQMUNXYDWYTGHF-UHFFFAOYSA-N -1 3 356.813 3.106 20 0 FGADHM CC[C@@H](C)C[C@@H]1NC(=O)N(Cc2ccc([O-])c(Br)c2)C1=O ZINC000567613612 505514908 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COc1ccc(CN(C(=O)Cc2cncc([O-])c2)[C@@H](C)C2CC2)c(OC)c1 ZINC000615014593 507723288 /nfs/dbraw/zinc/72/32/88/507723288.db2.gz KHPVQGFTSZLBRK-AWEZNQCLSA-N -1 3 370.449 3.174 20 0 FGADHM Cc1cnccc1[N-]S(=O)(=O)c1ccc2c(c1)c1ccccc1n2C ZINC000602498281 507728665 /nfs/dbraw/zinc/72/86/65/507728665.db2.gz RHEVUWGWSXUHRI-UHFFFAOYSA-N -1 3 351.431 3.258 20 0 FGADHM CCC[C@@H]1C[C@@H](C(=O)Nc2cc(Cl)cc(C(=O)OC)c2[O-])CCO1 ZINC000588095664 507759543 /nfs/dbraw/zinc/75/95/43/507759543.db2.gz BBZRNHNVARYMCP-CMPLNLGQSA-N -1 3 355.818 3.366 20 0 FGADHM O=C(COCC1CCCC1)Nc1nnc(-c2ccc3ccccc3n2)[n-]1 ZINC000615122240 507760854 /nfs/dbraw/zinc/76/08/54/507760854.db2.gz DVTBMPWNMGASIY-UHFFFAOYSA-N -1 3 351.410 3.165 20 0 FGADHM O=C(COCC1CCCC1)Nc1nc(-c2ccc3ccccc3n2)n[n-]1 ZINC000615122240 507760855 /nfs/dbraw/zinc/76/08/55/507760855.db2.gz DVTBMPWNMGASIY-UHFFFAOYSA-N -1 3 351.410 3.165 20 0 FGADHM O=C(COCC1CCCC1)Nc1n[n-]c(-c2ccc3ccccc3n2)n1 ZINC000615122240 507760857 /nfs/dbraw/zinc/76/08/57/507760857.db2.gz 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ZINC000479705058 514695016 /nfs/dbraw/zinc/69/50/16/514695016.db2.gz YFFARNBTLWCPHE-UHFFFAOYSA-N -1 3 352.360 3.279 20 0 FGADHM Cc1cc(C)c(-c2cc(=NC(=O)Cc3ccc(C(N)=O)cc3)[nH][n-]2)cc1C ZINC000489073925 514695453 /nfs/dbraw/zinc/69/54/53/514695453.db2.gz LWACYNYCCYMXIW-UHFFFAOYSA-N -1 3 362.433 3.282 20 0 FGADHM O=C(N=c1cc(-c2ccccc2)[n-][nH]1)[C@H]1CCCN(CC(F)(F)F)C1 ZINC000480440733 514959298 /nfs/dbraw/zinc/95/92/98/514959298.db2.gz XVMJAOYPPOABFI-ZDUSSCGKSA-N -1 3 352.360 3.290 20 0 FGADHM C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1csc(=NC2CC2)[n-]1 ZINC000476512445 515081122 /nfs/dbraw/zinc/08/11/22/515081122.db2.gz NHMIMLKSSPGGTR-PBHICJAKSA-N -1 3 370.522 3.358 20 0 FGADHM COCc1n[n-]c(=N[C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)s1 ZINC000477127942 515341278 /nfs/dbraw/zinc/34/12/78/515341278.db2.gz PNDAOXJHXJTABP-ZDUSSCGKSA-N -1 3 372.416 3.390 20 0 FGADHM CC(C)COc1ccc(CC(=O)N=c2cc(OC(F)F)n(C)[n-]2)cc1 ZINC000490967506 515346591 /nfs/dbraw/zinc/34/65/91/515346591.db2.gz DTVOWDGJGFETDF-UHFFFAOYSA-N 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/nfs/dbraw/zinc/85/17/69/515851769.db2.gz GFBGLGMRIJQYBV-ZDUSSCGKSA-N -1 3 354.248 3.487 20 0 FGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)C1Cc2ccccc2C1 ZINC000511390380 515887121 /nfs/dbraw/zinc/88/71/21/515887121.db2.gz IXGVANGUWSEORN-UHFFFAOYSA-N -1 3 356.223 3.450 20 0 FGADHM CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)N=c2cc(-c3ccccc3)[n-][nH]2)C1 ZINC000512180021 516187135 /nfs/dbraw/zinc/18/71/35/516187135.db2.gz DVEPKLVSNIXYJP-ZBFHGGJFSA-N -1 3 354.454 3.300 20 0 FGADHM CCN=c1[n-]c(C(=O)NC[C@H](OC(C)C)c2ccccc2OC)cs1 ZINC000474894820 516227291 /nfs/dbraw/zinc/22/72/91/516227291.db2.gz TXPRBXLEDWGWSJ-INIZCTEOSA-N -1 3 363.483 3.480 20 0 FGADHM CC[C@@H]1C[C@@H](C(=O)N=c2[nH][n-]c(C)c2-c2ccc3c(c2)OCCO3)CCO1 ZINC000543740308 516403739 /nfs/dbraw/zinc/40/37/39/516403739.db2.gz NLJAVGHADYJXTN-LSDHHAIUSA-N -1 3 371.437 3.300 20 0 FGADHM Cc1oc(-c2cnn(C)c2)nc1C(=O)N=c1cc(-c2ccccc2C)[n-][nH]1 ZINC000531465128 516479594 /nfs/dbraw/zinc/47/95/94/516479594.db2.gz LEQISBKMWOAZIO-UHFFFAOYSA-N -1 3 362.393 3.334 20 0 FGADHM Cc1ccc([C@@H](CNC(=O)N=c2cc(C)c(C)n[n-]2)N2CCCC2)cc1 ZINC000531813664 516655497 /nfs/dbraw/zinc/65/54/97/516655497.db2.gz JOLBCHIXIZJTEV-GOSISDBHSA-N -1 3 353.470 3.360 20 0 FGADHM CCCCCc1n[n-]c(=NC(=O)N(C)[C@H](C)C2CCN(C)CC2)s1 ZINC000544506393 516786875 /nfs/dbraw/zinc/78/68/75/516786875.db2.gz XHXDBCOVLKULGZ-CYBMUJFWSA-N -1 3 353.536 3.465 20 0 FGADHM COc1ccc(CNC(=O)N=c2cc3ccccn3[n-]2)cc1OC(F)F ZINC000515081852 517205427 /nfs/dbraw/zinc/20/54/27/517205427.db2.gz JNXHJIRQNGGETD-UHFFFAOYSA-N -1 3 362.336 3.266 20 0 FGADHM CN1CCC[C@@H]1CNC(=O)N=c1[n-]nc(-c2cc3ccccc3o2)s1 ZINC000526068714 517325737 /nfs/dbraw/zinc/32/57/37/517325737.db2.gz STUAZZQRIZOWDG-GFCCVEGCSA-N -1 3 357.439 3.167 20 0 FGADHM C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N=c2ccc(C3CC3)n[n-]2)C1 ZINC000533442689 517466012 /nfs/dbraw/zinc/46/60/12/517466012.db2.gz ANRPMJQFAHSHTN-PBHICJAKSA-N -1 3 351.454 3.311 20 0 FGADHM O=C(Cc1csc(Cc2ccccc2)n1)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000527500016 517713377 /nfs/dbraw/zinc/71/33/77/517713377.db2.gz PHJSWLFEQRQXNF-MRXNPFEDSA-N -1 3 368.462 3.490 20 0 FGADHM Cn1cc(Br)c(=NC(=O)C(C)(C)Oc2ccc(F)cc2)[n-]1 ZINC000522060441 517971731 /nfs/dbraw/zinc/97/17/31/517971731.db2.gz KSGCJHSWSYRCOL-UHFFFAOYSA-N -1 3 356.195 3.118 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@@H]2CCC(=O)[C@H](C)C2)c1-c1ccc2c(c1)OCCO2 ZINC000535012155 518121489 /nfs/dbraw/zinc/12/14/89/518121489.db2.gz KYGCAVXTQNVTRD-BXUZGUMPSA-N -1 3 369.421 3.100 20 0 FGADHM CCS[C@H]1CC[C@@H](N(C)C(=O)N=c2[n-]n(C)cc2Br)C1 ZINC000603042387 520042579 /nfs/dbraw/zinc/04/25/79/520042579.db2.gz GWLZZPFLBRCBQR-ZJUUUORDSA-N -1 3 361.309 3.321 20 0 FGADHM CCS[C@@H]1CCCC[C@@H]1NC(=O)N=c1[n-]n(C)cc1Br ZINC000603044367 520044932 /nfs/dbraw/zinc/04/49/32/520044932.db2.gz PHJBREGUSGAWFU-WDEREUQCSA-N -1 3 361.309 3.368 20 0 FGADHM COC(=O)[C@@H]1CCC[C@H](C(=O)N=c2[nH][n-]c(C)c2-c2cccc(OC)c2)C1 ZINC000600772870 520460863 /nfs/dbraw/zinc/46/08/63/520460863.db2.gz QUMJQVMQONVTSN-LSDHHAIUSA-N -1 3 371.437 3.312 20 0 FGADHM CCn1nc(C(=O)N=c2[nH][n-]c(C)c2-c2ccccc2)c(=O)c2ccccc21 ZINC000605332208 520838597 /nfs/dbraw/zinc/83/85/97/520838597.db2.gz XLJGGHDCZGLHKQ-UHFFFAOYSA-N -1 3 373.416 3.367 20 0 FGADHM COc1cccc(-c2c(C)[n-][nH]c2=NC(=O)[C@@H]2CCCc3n[nH]cc32)c1 ZINC000629693125 522396836 /nfs/dbraw/zinc/39/68/36/522396836.db2.gz AVNRGYRWHXIEON-CQSZACIVSA-N -1 3 351.410 3.175 20 0 FGADHM COc1cccc(-c2c(C)[n-][nH]c2=NC(=O)[C@@H](C)c2c(C)n[nH]c2C)c1 ZINC000629694562 522397255 /nfs/dbraw/zinc/39/72/55/522397255.db2.gz XSCCBOGIESHGEG-JTQLQIEISA-N -1 3 353.426 3.476 20 0 FGADHM Cc1cc(C(=O)N=c2cc(-c3ccncc3)[n-][nH]2)c(C)n1[C@H]1CCCOC1 ZINC000629953990 522544256 /nfs/dbraw/zinc/54/42/56/522544256.db2.gz DQBRWMJGYFUTKG-INIZCTEOSA-N -1 3 365.437 3.494 20 0 FGADHM C[C@@H](NC(=O)c1ccoc1)C(=O)N=c1cc(-c2cccc(Cl)c2)[n-][nH]1 ZINC000622891341 523532812 /nfs/dbraw/zinc/53/28/12/523532812.db2.gz UHIHKIZFYWXKNW-SNVBAGLBSA-N -1 3 358.785 3.080 20 0 FGADHM Cc1ccccc1-c1cc(=NC(=O)CCc2c(C)nc(=O)[nH]c2C)[nH][n-]1 ZINC000527115441 562276903 /nfs/dbraw/zinc/27/69/03/562276903.db2.gz LSZCMJHKOUNHBE-UHFFFAOYSA-N -1 3 351.410 3.069 20 0 FGADHM COc1ccc([C@@H](CNC(=O)N=c2cc(C)c(C)n[n-]2)N2CCCC2)cc1 ZINC000532324601 562474157 /nfs/dbraw/zinc/47/41/57/562474157.db2.gz AKXUEHIDPVPQIQ-GOSISDBHSA-N -1 3 369.469 3.061 20 0 FGADHM Cc1ccc(C[C@@H]2CCCN2C(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000737335727 598824890 /nfs/dbraw/zinc/82/48/90/598824890.db2.gz VYLVMNSTKLATEP-HYSAVQALSA-N -1 3 373.460 3.422 20 0 FGADHM Cc1ccc(C[C@@H]2CCCN2C(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000737335727 598824892 /nfs/dbraw/zinc/82/48/92/598824892.db2.gz VYLVMNSTKLATEP-HYSAVQALSA-N -1 3 373.460 3.422 20 0 FGADHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1Cc1cccc2cccnc21 ZINC000737522040 598826414 /nfs/dbraw/zinc/82/64/14/598826414.db2.gz FFSWTMXDMAWSAL-UHFFFAOYSA-N -1 3 368.404 3.030 20 0 FGADHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1Cc1cccc2cccnc21 ZINC000737522040 598826415 /nfs/dbraw/zinc/82/64/15/598826415.db2.gz FFSWTMXDMAWSAL-UHFFFAOYSA-N -1 3 368.404 3.030 20 0 FGADHM Cc1nn(-c2ccc(-c3nn[n-]n3)cc2)c(NC(=O)CCC(C)C)c1C ZINC000737504420 598841029 /nfs/dbraw/zinc/84/10/29/598841029.db2.gz XYLFJWJXPJZNQA-UHFFFAOYSA-N -1 3 353.430 3.044 20 0 FGADHM O=C(COc1cccc(-c2nnn[n-]2)c1)OCCc1ccc2ccccc2c1 ZINC000737925862 598882085 /nfs/dbraw/zinc/88/20/85/598882085.db2.gz ZNRLFKWHBNYNOF-UHFFFAOYSA-N -1 3 374.400 3.185 20 0 FGADHM O=C(COc1cccc(-c2nn[n-]n2)c1)OCCc1ccc2ccccc2c1 ZINC000737925862 598882086 /nfs/dbraw/zinc/88/20/86/598882086.db2.gz ZNRLFKWHBNYNOF-UHFFFAOYSA-N -1 3 374.400 3.185 20 0 FGADHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)[C@@H](C)Cc1ccccc1 ZINC000736038119 598883114 /nfs/dbraw/zinc/88/31/14/598883114.db2.gz SBMFUIQRIGARRO-LSDHHAIUSA-N -1 3 366.421 3.056 20 0 FGADHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)[C@@H](C)Cc1ccccc1 ZINC000736038119 598883115 /nfs/dbraw/zinc/88/31/15/598883115.db2.gz SBMFUIQRIGARRO-LSDHHAIUSA-N -1 3 366.421 3.056 20 0 FGADHM COC(=O)[C@H](N[C@@H](C)c1ccc(C)c(C)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736896512 598883394 /nfs/dbraw/zinc/88/33/94/598883394.db2.gz OEYRNIUNZCECOS-KBXCAEBGSA-N -1 3 365.437 3.048 20 0 FGADHM COC(=O)[C@H](N[C@@H](C)c1ccc(C)c(C)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736896512 598883395 /nfs/dbraw/zinc/88/33/95/598883395.db2.gz OEYRNIUNZCECOS-KBXCAEBGSA-N -1 3 365.437 3.048 20 0 FGADHM C[C@@H](CC1CCCC1)C(=O)NCCSCc1ccccc1-c1nnn[n-]1 ZINC000735986377 598902730 /nfs/dbraw/zinc/90/27/30/598902730.db2.gz RQHNHEZTVBUZQF-AWEZNQCLSA-N -1 3 373.526 3.433 20 0 FGADHM C[C@@H](CC1CCCC1)C(=O)NCCSCc1ccccc1-c1nn[n-]n1 ZINC000735986377 598902732 /nfs/dbraw/zinc/90/27/32/598902732.db2.gz RQHNHEZTVBUZQF-AWEZNQCLSA-N -1 3 373.526 3.433 20 0 FGADHM C[C@H](NC(=O)NCC[C@@H]1CCCC[C@@H]1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736118893 598919987 /nfs/dbraw/zinc/91/99/87/598919987.db2.gz PTSLQWYNQDBDLT-KKUMJFAQSA-N -1 3 356.474 3.443 20 0 FGADHM C[C@H](NC(=O)NCC[C@@H]1CCCC[C@@H]1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736118893 598919989 /nfs/dbraw/zinc/91/99/89/598919989.db2.gz PTSLQWYNQDBDLT-KKUMJFAQSA-N -1 3 356.474 3.443 20 0 FGADHM CC(C)[C@H]1CCCN(C(=O)CSCc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000735752302 598928976 /nfs/dbraw/zinc/92/89/76/598928976.db2.gz ZTHBODMDLWIRES-INIZCTEOSA-N -1 3 373.526 3.385 20 0 FGADHM CC(C)[C@H]1CCCN(C(=O)CSCc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735752302 598928977 /nfs/dbraw/zinc/92/89/77/598928977.db2.gz ZTHBODMDLWIRES-INIZCTEOSA-N -1 3 373.526 3.385 20 0 FGADHM Clc1cc(-c2nnn[n-]2)cnc1NCCNc1nc2ccccc2s1 ZINC000737557664 598937329 /nfs/dbraw/zinc/93/73/29/598937329.db2.gz GYUVJEJALAUELA-UHFFFAOYSA-N -1 3 372.845 3.049 20 0 FGADHM Clc1cc(-c2nn[n-]n2)cnc1NCCNc1nc2ccccc2s1 ZINC000737557664 598937330 /nfs/dbraw/zinc/93/73/30/598937330.db2.gz GYUVJEJALAUELA-UHFFFAOYSA-N -1 3 372.845 3.049 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)Oc1ccc(C(C)C)cc1 ZINC000737300594 598948860 /nfs/dbraw/zinc/94/88/60/598948860.db2.gz CPPPOLNVEQWHRR-UHFFFAOYSA-N -1 3 358.423 3.066 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)Oc1ccc(C(C)C)cc1 ZINC000737300594 598948862 /nfs/dbraw/zinc/94/88/62/598948862.db2.gz CPPPOLNVEQWHRR-UHFFFAOYSA-N -1 3 358.423 3.066 20 0 FGADHM CCOC(=O)[C@H](C)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000736586973 598960581 /nfs/dbraw/zinc/96/05/81/598960581.db2.gz SFBGSTDQAQGTLV-LBPRGKRZSA-N -1 3 353.382 3.023 20 0 FGADHM CCOC(=O)[C@H](C)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000736586973 598960583 /nfs/dbraw/zinc/96/05/83/598960583.db2.gz SFBGSTDQAQGTLV-LBPRGKRZSA-N -1 3 353.382 3.023 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OCCSCc1ccccc1F ZINC000737032788 599009661 /nfs/dbraw/zinc/00/96/61/599009661.db2.gz ONKHJSXCUFXXBF-UHFFFAOYSA-N -1 3 360.414 3.327 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OCCSCc1ccccc1F ZINC000737032788 599009663 /nfs/dbraw/zinc/00/96/63/599009663.db2.gz ONKHJSXCUFXXBF-UHFFFAOYSA-N -1 3 360.414 3.327 20 0 FGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)Nc1ccc(F)cc1OCC1CC1 ZINC000738179303 599013075 /nfs/dbraw/zinc/01/30/75/599013075.db2.gz QNDMAZMKRCJEFT-UHFFFAOYSA-N -1 3 368.372 3.439 20 0 FGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)Nc1ccc(F)cc1OCC1CC1 ZINC000738179303 599013077 /nfs/dbraw/zinc/01/30/77/599013077.db2.gz QNDMAZMKRCJEFT-UHFFFAOYSA-N -1 3 368.372 3.439 20 0 FGADHM O=C(COc1ccc(-c2nn[n-]n2)cc1)OCCCc1ccc(Cl)cc1 ZINC000737918477 599015878 /nfs/dbraw/zinc/01/58/78/599015878.db2.gz GQCGCAOIYBVHLG-UHFFFAOYSA-N -1 3 372.812 3.075 20 0 FGADHM O=C(COc1cccc(-c2nnn[n-]2)c1)OCCCc1ccc(Cl)cc1 ZINC000737925318 599016289 /nfs/dbraw/zinc/01/62/89/599016289.db2.gz PFEXNVLCDOCPMW-UHFFFAOYSA-N -1 3 372.812 3.075 20 0 FGADHM O=C(COc1cccc(-c2nn[n-]n2)c1)OCCCc1ccc(Cl)cc1 ZINC000737925318 599016291 /nfs/dbraw/zinc/01/62/91/599016291.db2.gz PFEXNVLCDOCPMW-UHFFFAOYSA-N -1 3 372.812 3.075 20 0 FGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1)c1ccccc1Oc1ccccn1 ZINC000738233723 599017269 /nfs/dbraw/zinc/01/72/69/599017269.db2.gz SSWDFEANUCIHNT-UHFFFAOYSA-N -1 3 373.372 3.411 20 0 FGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1)c1ccccc1Oc1ccccn1 ZINC000738233723 599017271 /nfs/dbraw/zinc/01/72/71/599017271.db2.gz SSWDFEANUCIHNT-UHFFFAOYSA-N -1 3 373.372 3.411 20 0 FGADHM CCO[C@@H]1C[C@@H](OC(=O)CCc2ccc(-c3nnn[n-]3)cc2)C12CCCC2 ZINC000736615439 599028237 /nfs/dbraw/zinc/02/82/37/599028237.db2.gz YBHIXSLHLFHRMV-IAGOWNOFSA-N -1 3 370.453 3.080 20 0 FGADHM CCO[C@@H]1C[C@@H](OC(=O)CCc2ccc(-c3nn[n-]n3)cc2)C12CCCC2 ZINC000736615439 599028239 /nfs/dbraw/zinc/02/82/39/599028239.db2.gz YBHIXSLHLFHRMV-IAGOWNOFSA-N -1 3 370.453 3.080 20 0 FGADHM Cc1c(NCC(=O)N[C@@H](c2ccccc2)C(C)C)cccc1-c1nnn[n-]1 ZINC000822116854 607257570 /nfs/dbraw/zinc/25/75/70/607257570.db2.gz ZFGJPQGPAQFWGP-LJQANCHMSA-N -1 3 364.453 3.101 20 0 FGADHM Cc1c(NCC(=O)N[C@@H](c2ccccc2)C(C)C)cccc1-c1nn[n-]n1 ZINC000822116854 607257571 /nfs/dbraw/zinc/25/75/71/607257571.db2.gz ZFGJPQGPAQFWGP-LJQANCHMSA-N -1 3 364.453 3.101 20 0 FGADHM CSc1nc(C2CC2)cc(C(=O)NC[C@H](C)C(C)(C)C)c1-c1nnn[n-]1 ZINC000737190707 599033252 /nfs/dbraw/zinc/03/32/52/599033252.db2.gz ZUANFSVTEOBQDG-JTQLQIEISA-N -1 3 374.514 3.273 20 0 FGADHM Cc1ccccc1[C@H]1CN(c2c(Cl)cccc2-c2nnn[n-]2)CCO1 ZINC000822351757 599036759 /nfs/dbraw/zinc/03/67/59/599036759.db2.gz PXJZFNYKVWABIJ-MRXNPFEDSA-N -1 3 355.829 3.406 20 0 FGADHM Cc1ccccc1[C@H]1CN(c2c(Cl)cccc2-c2nn[n-]n2)CCO1 ZINC000822351757 599036761 /nfs/dbraw/zinc/03/67/61/599036761.db2.gz PXJZFNYKVWABIJ-MRXNPFEDSA-N -1 3 355.829 3.406 20 0 FGADHM O[C@@H](CNc1c(F)cc(-c2nnn[n-]2)cc1F)c1c(F)cccc1Cl ZINC000738381925 599044956 /nfs/dbraw/zinc/04/49/56/599044956.db2.gz IZBIWOCASFBFQH-LBPRGKRZSA-N -1 3 369.734 3.083 20 0 FGADHM O[C@@H](CNc1c(F)cc(-c2nn[n-]n2)cc1F)c1c(F)cccc1Cl ZINC000738381925 599044959 /nfs/dbraw/zinc/04/49/59/599044959.db2.gz IZBIWOCASFBFQH-LBPRGKRZSA-N -1 3 369.734 3.083 20 0 FGADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(N2CCCc3sccc3C2)n1 ZINC000737632020 599054739 /nfs/dbraw/zinc/05/47/39/599054739.db2.gz IEZQSQQCGGGZAN-UHFFFAOYSA-N -1 3 366.372 3.295 20 0 FGADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(N2CCCc3sccc3C2)n1 ZINC000737632020 599054742 /nfs/dbraw/zinc/05/47/42/599054742.db2.gz IEZQSQQCGGGZAN-UHFFFAOYSA-N -1 3 366.372 3.295 20 0 FGADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(NC[C@H]2CCc3ccccc32)n1 ZINC000737635441 599057882 /nfs/dbraw/zinc/05/78/82/599057882.db2.gz GASBABJXGFZCHV-LLVKDONJSA-N -1 3 360.343 3.422 20 0 FGADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(NC[C@H]2CCc3ccccc32)n1 ZINC000737635441 599057885 /nfs/dbraw/zinc/05/78/85/599057885.db2.gz GASBABJXGFZCHV-LLVKDONJSA-N -1 3 360.343 3.422 20 0 FGADHM CC(C)(C)Oc1ccccc1NCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000735643048 599064795 /nfs/dbraw/zinc/06/47/95/599064795.db2.gz KQYHOWHMLIMLMC-UHFFFAOYSA-N -1 3 366.425 3.095 20 0 FGADHM CC(C)(C)Oc1ccccc1NCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000735643048 599064797 /nfs/dbraw/zinc/06/47/97/599064797.db2.gz KQYHOWHMLIMLMC-UHFFFAOYSA-N -1 3 366.425 3.095 20 0 FGADHM CCc1ccc(CC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(C)C)cc1 ZINC000736684181 599071565 /nfs/dbraw/zinc/07/15/65/599071565.db2.gz VTYXQJOJUKMNSU-UHFFFAOYSA-N -1 3 365.437 3.398 20 0 FGADHM CCc1ccc(CC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(C)C)cc1 ZINC000736684181 599071568 /nfs/dbraw/zinc/07/15/68/599071568.db2.gz VTYXQJOJUKMNSU-UHFFFAOYSA-N -1 3 365.437 3.398 20 0 FGADHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2N1C[C@@H](C)S[C@@H](C)C1 ZINC000822203426 599075606 /nfs/dbraw/zinc/07/56/06/599075606.db2.gz SYPQXSBIYXHDQX-PHIMTYICSA-N -1 3 358.446 3.193 20 0 FGADHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2N1C[C@@H](C)S[C@@H](C)C1 ZINC000822203426 599075610 /nfs/dbraw/zinc/07/56/10/599075610.db2.gz SYPQXSBIYXHDQX-PHIMTYICSA-N -1 3 358.446 3.193 20 0 FGADHM O[C@H](CCNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccccc1 ZINC000823673403 599086338 /nfs/dbraw/zinc/08/63/38/599086338.db2.gz LRTJSZUPNKQOIU-OAHLLOKOSA-N -1 3 363.343 3.421 20 0 FGADHM O[C@H](CCNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccccc1 ZINC000823673403 599086341 /nfs/dbraw/zinc/08/63/41/599086341.db2.gz LRTJSZUPNKQOIU-OAHLLOKOSA-N -1 3 363.343 3.421 20 0 FGADHM C[C@@H](NC(=O)[C@H](C)Sc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000736194248 599111104 /nfs/dbraw/zinc/11/11/04/599111104.db2.gz YOCTZFQYYRFSEN-OLZOCXBDSA-N -1 3 353.451 3.225 20 0 FGADHM C[C@@H](NC(=O)[C@H](C)Sc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000736194248 599111107 /nfs/dbraw/zinc/11/11/07/599111107.db2.gz YOCTZFQYYRFSEN-OLZOCXBDSA-N -1 3 353.451 3.225 20 0 FGADHM CC(C)(C)c1ncc(C=CC(=O)Nc2cccc(-c3nnn[n-]3)c2)s1 ZINC000742501314 599131465 /nfs/dbraw/zinc/13/14/65/599131465.db2.gz MZRVEYAMZHAJCC-FPLPWBNLSA-N -1 3 354.439 3.273 20 0 FGADHM CC(C)(C)c1ncc(C=CC(=O)Nc2cccc(-c3nn[n-]n3)c2)s1 ZINC000742501314 599131467 /nfs/dbraw/zinc/13/14/67/599131467.db2.gz MZRVEYAMZHAJCC-FPLPWBNLSA-N -1 3 354.439 3.273 20 0 FGADHM Fc1ccc(Br)c(OCc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000822762181 607259004 /nfs/dbraw/zinc/25/90/04/607259004.db2.gz ZJEMDQZRXDIKPM-UHFFFAOYSA-N -1 3 367.153 3.486 20 0 FGADHM Fc1ccc(Br)c(OCc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000822762181 607259005 /nfs/dbraw/zinc/25/90/05/607259005.db2.gz ZJEMDQZRXDIKPM-UHFFFAOYSA-N -1 3 367.153 3.486 20 0 FGADHM C[C@H](CCc1cccc(F)c1)C(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000820252788 599139383 /nfs/dbraw/zinc/13/93/83/599139383.db2.gz DTQOZXMFHKYOSW-CQSZACIVSA-N -1 3 367.428 3.233 20 0 FGADHM C[C@H](CCc1cccc(F)c1)C(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000820252788 599139385 /nfs/dbraw/zinc/13/93/85/599139385.db2.gz DTQOZXMFHKYOSW-CQSZACIVSA-N -1 3 367.428 3.233 20 0 FGADHM C[C@@H](NC(=O)[C@@H]1SCCc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000820321504 599139599 /nfs/dbraw/zinc/13/95/99/599139599.db2.gz HJQFWVQCVLBKAG-SJKOYZFVSA-N -1 3 365.462 3.075 20 0 FGADHM C[C@@H](NC(=O)[C@@H]1SCCc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000820321504 599139600 /nfs/dbraw/zinc/13/96/00/599139600.db2.gz HJQFWVQCVLBKAG-SJKOYZFVSA-N -1 3 365.462 3.075 20 0 FGADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc(OC2CCC2)cc1 ZINC000821613492 599140433 /nfs/dbraw/zinc/14/04/33/599140433.db2.gz PPSNBCRRNVICSK-UHFFFAOYSA-N -1 3 363.421 3.070 20 0 FGADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc(OC2CCC2)cc1 ZINC000821613492 599140434 /nfs/dbraw/zinc/14/04/34/599140434.db2.gz PPSNBCRRNVICSK-UHFFFAOYSA-N -1 3 363.421 3.070 20 0 FGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cccc2cc[nH]c21 ZINC000820151223 599143518 /nfs/dbraw/zinc/14/35/18/599143518.db2.gz DCAWKHFIZZCSAG-UHFFFAOYSA-N -1 3 362.393 3.388 20 0 FGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cccc2cc[nH]c21 ZINC000820151223 599143521 /nfs/dbraw/zinc/14/35/21/599143521.db2.gz DCAWKHFIZZCSAG-UHFFFAOYSA-N -1 3 362.393 3.388 20 0 FGADHM Cc1cccc([C@@H](C)NC(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)c1C ZINC000737387350 599147948 /nfs/dbraw/zinc/14/79/48/599147948.db2.gz GVNPMVZUHYZXAW-OAHLLOKOSA-N -1 3 364.453 3.386 20 0 FGADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)CCC1CCOCC1 ZINC000820087420 599146490 /nfs/dbraw/zinc/14/64/90/599146490.db2.gz RKYGMZYTAAZBIW-UHFFFAOYSA-N -1 3 371.485 3.058 20 0 FGADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)CCC1CCOCC1 ZINC000820087420 599146491 /nfs/dbraw/zinc/14/64/91/599146491.db2.gz RKYGMZYTAAZBIW-UHFFFAOYSA-N -1 3 371.485 3.058 20 0 FGADHM Cc1cccc([C@@H](C)NC(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)c1C ZINC000737387350 599147946 /nfs/dbraw/zinc/14/79/46/599147946.db2.gz GVNPMVZUHYZXAW-OAHLLOKOSA-N -1 3 364.453 3.386 20 0 FGADHM C[C@H](CCc1cccc(F)c1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820252830 599150628 /nfs/dbraw/zinc/15/06/28/599150628.db2.gz FBVPIRZXBNVDHH-LLVKDONJSA-N -1 3 357.364 3.352 20 0 FGADHM C[C@H](CCc1cccc(F)c1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820252830 599150630 /nfs/dbraw/zinc/15/06/30/599150630.db2.gz FBVPIRZXBNVDHH-LLVKDONJSA-N -1 3 357.364 3.352 20 0 FGADHM COc1ccc(-c2nc3c(cccc3F)n2C2CC2)cc1-c1nnn[n-]1 ZINC000821732758 599155813 /nfs/dbraw/zinc/15/58/13/599155813.db2.gz TUDFEYHDUFAYIN-UHFFFAOYSA-N -1 3 350.357 3.366 20 0 FGADHM COc1ccc(-c2nc3c(cccc3F)n2C2CC2)cc1-c1nn[n-]n1 ZINC000821732758 599155816 /nfs/dbraw/zinc/15/58/16/599155816.db2.gz TUDFEYHDUFAYIN-UHFFFAOYSA-N -1 3 350.357 3.366 20 0 FGADHM CC(C)(C)[C@H]1CCCN(C(=O)CCc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000735596572 599162343 /nfs/dbraw/zinc/16/23/43/599162343.db2.gz KGZOUVZABVVINU-KRWDZBQOSA-N -1 3 355.486 3.474 20 0 FGADHM CC(C)(C)[C@H]1CCCN(C(=O)CCc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735596572 599162345 /nfs/dbraw/zinc/16/23/45/599162345.db2.gz KGZOUVZABVVINU-KRWDZBQOSA-N -1 3 355.486 3.474 20 0 FGADHM Fc1ccc(SCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)c(F)c1 ZINC000737657036 599163217 /nfs/dbraw/zinc/16/32/17/599163217.db2.gz SOQJIOBZGSQIAE-UHFFFAOYSA-N -1 3 372.360 3.487 20 0 FGADHM Fc1ccc(SCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)c(F)c1 ZINC000737657036 599163219 /nfs/dbraw/zinc/16/32/19/599163219.db2.gz SOQJIOBZGSQIAE-UHFFFAOYSA-N -1 3 372.360 3.487 20 0 FGADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)c1[nH]c2ccccc2c1Cl ZINC000823237807 599167603 /nfs/dbraw/zinc/16/76/03/599167603.db2.gz CDLRTYOTIMWFTJ-UHFFFAOYSA-N -1 3 370.775 3.071 20 0 FGADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)c1[nH]c2ccccc2c1Cl ZINC000823237807 599167604 /nfs/dbraw/zinc/16/76/04/599167604.db2.gz CDLRTYOTIMWFTJ-UHFFFAOYSA-N -1 3 370.775 3.071 20 0 FGADHM CC(C)N(C(=O)CSc1ccc(-c2nnn[n-]2)cc1F)C1CCCC1 ZINC000735850370 599168214 /nfs/dbraw/zinc/16/82/14/599168214.db2.gz CRGWJZLDHQUAJY-UHFFFAOYSA-N -1 3 363.462 3.278 20 0 FGADHM CC(C)N(C(=O)CSc1ccc(-c2nn[n-]n2)cc1F)C1CCCC1 ZINC000735850370 599168217 /nfs/dbraw/zinc/16/82/17/599168217.db2.gz CRGWJZLDHQUAJY-UHFFFAOYSA-N -1 3 363.462 3.278 20 0 FGADHM CC[C@@H](C)[C@H](C(=O)NCc1cc(-c2nnn[n-]2)ccc1F)c1ccccc1 ZINC000820863479 599176755 /nfs/dbraw/zinc/17/67/55/599176755.db2.gz UGQNRELUINEVNI-ACJLOTCBSA-N -1 3 367.428 3.452 20 0 FGADHM CC[C@@H](C)[C@H](C(=O)NCc1cc(-c2nn[n-]n2)ccc1F)c1ccccc1 ZINC000820863479 599176757 /nfs/dbraw/zinc/17/67/57/599176757.db2.gz UGQNRELUINEVNI-ACJLOTCBSA-N -1 3 367.428 3.452 20 0 FGADHM O=C(Nc1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1)[C@H]1Cc2ccccc21 ZINC000738211569 599179567 /nfs/dbraw/zinc/17/95/67/599179567.db2.gz OFXKKJSGNNWUBP-HNNXBMFYSA-N -1 3 374.429 3.269 20 0 FGADHM O=C(Nc1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1)[C@H]1Cc2ccccc21 ZINC000738211569 599179569 /nfs/dbraw/zinc/17/95/69/599179569.db2.gz OFXKKJSGNNWUBP-HNNXBMFYSA-N -1 3 374.429 3.269 20 0 FGADHM CCCc1ncc(C(=O)N(CC)[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000736495171 599183060 /nfs/dbraw/zinc/18/30/60/599183060.db2.gz IXPQLJPSMNSEFN-LBPRGKRZSA-N -1 3 370.482 3.499 20 0 FGADHM CCCc1ncc(C(=O)N(CC)[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000736495171 599183062 /nfs/dbraw/zinc/18/30/62/599183062.db2.gz IXPQLJPSMNSEFN-LBPRGKRZSA-N -1 3 370.482 3.499 20 0 FGADHM C[C@H](CNC(=O)C=Cc1ccccc1-c1nnn[n-]1)Sc1ccccc1 ZINC000820259942 599191461 /nfs/dbraw/zinc/19/14/61/599191461.db2.gz DKLURCYITPZGKQ-XMXAVACDSA-N -1 3 365.462 3.177 20 0 FGADHM C[C@H](CNC(=O)C=Cc1ccccc1-c1nn[n-]n1)Sc1ccccc1 ZINC000820259942 599191463 /nfs/dbraw/zinc/19/14/63/599191463.db2.gz DKLURCYITPZGKQ-XMXAVACDSA-N -1 3 365.462 3.177 20 0 FGADHM COCCN(C(=O)C1CCCCCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736987342 599203119 /nfs/dbraw/zinc/20/31/19/599203119.db2.gz COLJODYNRYZJKJ-UHFFFAOYSA-N -1 3 357.458 3.207 20 0 FGADHM COCCN(C(=O)C1CCCCCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736987342 599203120 /nfs/dbraw/zinc/20/31/20/599203120.db2.gz COLJODYNRYZJKJ-UHFFFAOYSA-N -1 3 357.458 3.207 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N(Cc1ccccc1)CC(F)F ZINC000822928700 599215037 /nfs/dbraw/zinc/21/50/37/599215037.db2.gz KYDNVWGLJYOKTE-KHPPLWFESA-N -1 3 369.375 3.174 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N(Cc1ccccc1)CC(F)F ZINC000822928700 599215041 /nfs/dbraw/zinc/21/50/41/599215041.db2.gz KYDNVWGLJYOKTE-KHPPLWFESA-N -1 3 369.375 3.174 20 0 FGADHM Cc1ccc(N2CCCC2)c(C(=O)OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737351081 599216396 /nfs/dbraw/zinc/21/63/96/599216396.db2.gz JVRWSDHNDKEZTR-UHFFFAOYSA-N -1 3 363.421 3.132 20 0 FGADHM Cc1ccc(N2CCCC2)c(C(=O)OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737351081 599216398 /nfs/dbraw/zinc/21/63/98/599216398.db2.gz JVRWSDHNDKEZTR-UHFFFAOYSA-N -1 3 363.421 3.132 20 0 FGADHM Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)c2cccc(-c3nnn[n-]3)c2)o1 ZINC000822233091 599221549 /nfs/dbraw/zinc/22/15/49/599221549.db2.gz HUKLJQGJXXEKOR-WBMJQRKESA-N -1 3 351.410 3.382 20 0 FGADHM Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)c2cccc(-c3nn[n-]n3)c2)o1 ZINC000822233091 599221551 /nfs/dbraw/zinc/22/15/51/599221551.db2.gz HUKLJQGJXXEKOR-WBMJQRKESA-N -1 3 351.410 3.382 20 0 FGADHM O=C(Nc1cccc(Oc2ccccn2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823367563 599222624 /nfs/dbraw/zinc/22/26/24/599222624.db2.gz KTVOCPBJCQLMLJ-UHFFFAOYSA-N -1 3 358.361 3.306 20 0 FGADHM O=C(Nc1cccc(Oc2ccccn2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823367563 599222627 /nfs/dbraw/zinc/22/26/27/599222627.db2.gz KTVOCPBJCQLMLJ-UHFFFAOYSA-N -1 3 358.361 3.306 20 0 FGADHM Cc1cc(C)cc(C[C@H](C)NC(=O)C=Cc2ccccc2-c2nnn[n-]2)c1 ZINC000737253013 599231241 /nfs/dbraw/zinc/23/12/41/599231241.db2.gz NPEHFCRXJGBVCA-FDMDGMSGSA-N -1 3 361.449 3.244 20 0 FGADHM Cc1cc(C)cc(C[C@H](C)NC(=O)C=Cc2ccccc2-c2nn[n-]n2)c1 ZINC000737253013 599231244 /nfs/dbraw/zinc/23/12/44/599231244.db2.gz NPEHFCRXJGBVCA-FDMDGMSGSA-N -1 3 361.449 3.244 20 0 FGADHM COc1ccc(CNc2ccc(Br)cc2-c2nnn[n-]2)cc1 ZINC000737096577 599361785 /nfs/dbraw/zinc/36/17/85/599361785.db2.gz WVHMCUDLXTYKTR-UHFFFAOYSA-N -1 3 360.215 3.250 20 0 FGADHM COc1ccc(CNc2ccc(Br)cc2-c2nn[n-]n2)cc1 ZINC000737096577 599361787 /nfs/dbraw/zinc/36/17/87/599361787.db2.gz WVHMCUDLXTYKTR-UHFFFAOYSA-N -1 3 360.215 3.250 20 0 FGADHM CCCOc1cccc(CC(=O)OCc2cc(-c3nnn[n-]3)ccc2F)c1 ZINC000821133829 607265268 /nfs/dbraw/zinc/26/52/68/607265268.db2.gz GDYVSSBAXTXPKG-UHFFFAOYSA-N -1 3 370.384 3.081 20 0 FGADHM CCCOc1cccc(CC(=O)OCc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC000821133829 607265269 /nfs/dbraw/zinc/26/52/69/607265269.db2.gz GDYVSSBAXTXPKG-UHFFFAOYSA-N -1 3 370.384 3.081 20 0 FGADHM COc1ccccc1C[C@H](C)CC(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821890934 607268647 /nfs/dbraw/zinc/26/86/47/607268647.db2.gz SAQZGXBTRCFWGA-ZDUSSCGKSA-N -1 3 365.437 3.391 20 0 FGADHM COc1ccccc1C[C@H](C)CC(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821890934 607268648 /nfs/dbraw/zinc/26/86/48/607268648.db2.gz SAQZGXBTRCFWGA-ZDUSSCGKSA-N -1 3 365.437 3.391 20 0 FGADHM Cc1c(NC(=O)c2cnc3onc(C(C)C)c3c2)cccc1-c1nnn[n-]1 ZINC000822116603 607270720 /nfs/dbraw/zinc/27/07/20/607270720.db2.gz UUJORVMBKCHQNH-UHFFFAOYSA-N -1 3 363.381 3.087 20 0 FGADHM Cc1c(NC(=O)c2cnc3onc(C(C)C)c3c2)cccc1-c1nn[n-]n1 ZINC000822116603 607270721 /nfs/dbraw/zinc/27/07/21/607270721.db2.gz UUJORVMBKCHQNH-UHFFFAOYSA-N -1 3 363.381 3.087 20 0 FGADHM C[C@@H](CNC(=O)Nc1ccc(-c2nnn[n-]2)cc1)Oc1ccccc1Cl ZINC000820270217 599243027 /nfs/dbraw/zinc/24/30/27/599243027.db2.gz XTLVJWYMKQJRQK-NSHDSACASA-N -1 3 372.816 3.109 20 0 FGADHM C[C@@H](CNC(=O)Nc1ccc(-c2nn[n-]n2)cc1)Oc1ccccc1Cl ZINC000820270217 599243028 /nfs/dbraw/zinc/24/30/28/599243028.db2.gz XTLVJWYMKQJRQK-NSHDSACASA-N -1 3 372.816 3.109 20 0 FGADHM Cc1c(NC(=O)CCc2ncc(-c3ccccc3)o2)cccc1-c1nnn[n-]1 ZINC000822065595 607271552 /nfs/dbraw/zinc/27/15/52/607271552.db2.gz AFUVCKWTPILFGN-UHFFFAOYSA-N -1 3 374.404 3.401 20 0 FGADHM Cc1c(NC(=O)CCc2ncc(-c3ccccc3)o2)cccc1-c1nn[n-]n1 ZINC000822065595 607271553 /nfs/dbraw/zinc/27/15/53/607271553.db2.gz AFUVCKWTPILFGN-UHFFFAOYSA-N -1 3 374.404 3.401 20 0 FGADHM Cc1c(NC(=O)c2cc(Br)cs2)cccc1-c1nnn[n-]1 ZINC000822108311 607268993 /nfs/dbraw/zinc/26/89/93/607268993.db2.gz GZGKZQXBHJASPU-UHFFFAOYSA-N -1 3 364.228 3.251 20 0 FGADHM Cc1c(NC(=O)c2cc(Br)cs2)cccc1-c1nn[n-]n1 ZINC000822108311 607268994 /nfs/dbraw/zinc/26/89/94/607268994.db2.gz GZGKZQXBHJASPU-UHFFFAOYSA-N -1 3 364.228 3.251 20 0 FGADHM COc1ccc(C)cc1NC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821782455 599243841 /nfs/dbraw/zinc/24/38/41/599243841.db2.gz FPZDOJZNPFHHNF-GFCCVEGCSA-N -1 3 352.398 3.066 20 0 FGADHM COc1ccc(C)cc1NC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821782455 599243843 /nfs/dbraw/zinc/24/38/43/599243843.db2.gz FPZDOJZNPFHHNF-GFCCVEGCSA-N -1 3 352.398 3.066 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)C(C)(C)Cc1ccccc1 ZINC000737024340 599246135 /nfs/dbraw/zinc/24/61/35/599246135.db2.gz GKXXTMHUQSUSPH-UHFFFAOYSA-N -1 3 352.394 3.050 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)C(C)(C)Cc1ccccc1 ZINC000737024340 599246138 /nfs/dbraw/zinc/24/61/38/599246138.db2.gz GKXXTMHUQSUSPH-UHFFFAOYSA-N -1 3 352.394 3.050 20 0 FGADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)C[C@H]2CCOc3ccccc32)s1 ZINC000736679571 599249059 /nfs/dbraw/zinc/24/90/59/599249059.db2.gz XJRRMECZNUURSM-LLVKDONJSA-N -1 3 369.450 3.386 20 0 FGADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)C[C@H]2CCOc3ccccc32)s1 ZINC000736679571 599249062 /nfs/dbraw/zinc/24/90/62/599249062.db2.gz XJRRMECZNUURSM-LLVKDONJSA-N -1 3 369.450 3.386 20 0 FGADHM C[C@]1(c2ccccc2)C[C@H]1NC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820633831 599249783 /nfs/dbraw/zinc/24/97/83/599249783.db2.gz DUDKQFKCXGKOPF-CRAIPNDOSA-N -1 3 368.828 3.372 20 0 FGADHM C[C@]1(c2ccccc2)C[C@H]1NC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820633831 599249786 /nfs/dbraw/zinc/24/97/86/599249786.db2.gz DUDKQFKCXGKOPF-CRAIPNDOSA-N -1 3 368.828 3.372 20 0 FGADHM C[C@@H](NCc1ccc(C(=O)[O-])cc1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000818052961 597244240 /nfs/dbraw/zinc/24/42/40/597244240.db2.gz LCFOZUOPTIJIPY-LLVKDONJSA-N -1 3 369.389 3.232 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N[C@@H]1C[C@H]1Cc1ccccc1 ZINC000823303939 599251743 /nfs/dbraw/zinc/25/17/43/599251743.db2.gz ZJLHIBZPUNTPIW-MLGOLLRUSA-N -1 3 368.828 3.273 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N[C@@H]1C[C@H]1Cc1ccccc1 ZINC000823303939 599251746 /nfs/dbraw/zinc/25/17/46/599251746.db2.gz ZJLHIBZPUNTPIW-MLGOLLRUSA-N -1 3 368.828 3.273 20 0 FGADHM Cc1c(NC(=O)N[C@@H](C)CCc2ccccc2)cccc1-c1nnn[n-]1 ZINC000822092325 607282532 /nfs/dbraw/zinc/28/25/32/607282532.db2.gz WAJWOHYDRPOILI-ZDUSSCGKSA-N -1 3 350.426 3.318 20 0 FGADHM Cc1c(NC(=O)N[C@@H](C)CCc2ccccc2)cccc1-c1nn[n-]n1 ZINC000822092325 607282533 /nfs/dbraw/zinc/28/25/33/607282533.db2.gz WAJWOHYDRPOILI-ZDUSSCGKSA-N -1 3 350.426 3.318 20 0 FGADHM Fc1ccc(F)c2c1ncc(-c1nnn[n-]1)c2NCc1ccccc1Cl ZINC000737661450 599253773 /nfs/dbraw/zinc/25/37/73/599253773.db2.gz WMNQFLWGFQPGBN-UHFFFAOYSA-N -1 3 372.766 3.381 20 0 FGADHM Fc1ccc(F)c2c1ncc(-c1nn[n-]n1)c2NCc1ccccc1Cl ZINC000737661450 599253774 /nfs/dbraw/zinc/25/37/74/599253774.db2.gz WMNQFLWGFQPGBN-UHFFFAOYSA-N -1 3 372.766 3.381 20 0 FGADHM CCOc1ccc([C@@H](C)NC(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1 ZINC000821417771 607284591 /nfs/dbraw/zinc/28/45/91/607284591.db2.gz RJNYTEMUWKCMIZ-CYBMUJFWSA-N -1 3 366.425 3.457 20 0 FGADHM CCOc1ccc([C@@H](C)NC(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1 ZINC000821417771 607284592 /nfs/dbraw/zinc/28/45/92/607284592.db2.gz RJNYTEMUWKCMIZ-CYBMUJFWSA-N -1 3 366.425 3.457 20 0 FGADHM Clc1ccc2ncc(-c3nnn[n-]3)c(NC[C@H]3CC3(Cl)Cl)c2c1 ZINC000737573018 599257301 /nfs/dbraw/zinc/25/73/01/599257301.db2.gz IHQGSKAKTLFGHW-SSDOTTSWSA-N -1 3 369.643 3.096 20 0 FGADHM Clc1ccc2ncc(-c3nn[n-]n3)c(NC[C@H]3CC3(Cl)Cl)c2c1 ZINC000737573018 599257303 /nfs/dbraw/zinc/25/73/03/599257303.db2.gz IHQGSKAKTLFGHW-SSDOTTSWSA-N -1 3 369.643 3.096 20 0 FGADHM Cc1c(NC(=O)NCC(C)(C)c2ccc(F)cc2)cccc1-c1nnn[n-]1 ZINC000822096703 607286591 /nfs/dbraw/zinc/28/65/91/607286591.db2.gz PSRLGDKWCDJGIJ-UHFFFAOYSA-N -1 3 368.416 3.414 20 0 FGADHM Cc1c(NC(=O)NCC(C)(C)c2ccc(F)cc2)cccc1-c1nn[n-]n1 ZINC000822096703 607286592 /nfs/dbraw/zinc/28/65/92/607286592.db2.gz PSRLGDKWCDJGIJ-UHFFFAOYSA-N -1 3 368.416 3.414 20 0 FGADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Oc1cc(Cl)ccc1F ZINC000736186377 599261529 /nfs/dbraw/zinc/26/15/29/599261529.db2.gz AKPBZQMKEBCWTP-VIFPVBQESA-N -1 3 362.748 3.032 20 0 FGADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Oc1cc(Cl)ccc1F ZINC000736186377 599261531 /nfs/dbraw/zinc/26/15/31/599261531.db2.gz AKPBZQMKEBCWTP-VIFPVBQESA-N -1 3 362.748 3.032 20 0 FGADHM C[C@@H](NC(=O)N1Cc2ccccc2C[C@H]1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820351296 599261818 /nfs/dbraw/zinc/26/18/18/599261818.db2.gz OESILDJRTLIGBQ-ZIAGYGMSSA-N -1 3 362.437 3.084 20 0 FGADHM C[C@@H](NC(=O)N1Cc2ccccc2C[C@H]1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820351296 599261819 /nfs/dbraw/zinc/26/18/19/599261819.db2.gz OESILDJRTLIGBQ-ZIAGYGMSSA-N -1 3 362.437 3.084 20 0 FGADHM Cc1cccc(N2CCN(c3c(-c4nnn[n-]4)cnc4ccccc43)CC2)c1 ZINC000737399631 599262048 /nfs/dbraw/zinc/26/20/48/599262048.db2.gz NLQZCIHJDQHELT-UHFFFAOYSA-N -1 3 371.448 3.050 20 0 FGADHM Cc1cccc(N2CCN(c3c(-c4nn[n-]n4)cnc4ccccc43)CC2)c1 ZINC000737399631 599262050 /nfs/dbraw/zinc/26/20/50/599262050.db2.gz NLQZCIHJDQHELT-UHFFFAOYSA-N -1 3 371.448 3.050 20 0 FGADHM Cc1c(NC(=O)N[C@H]2CSc3ccccc32)cccc1-c1nnn[n-]1 ZINC000822091766 607290079 /nfs/dbraw/zinc/29/00/79/607290079.db2.gz SIHVIPGLDYINRT-AWEZNQCLSA-N -1 3 352.423 3.144 20 0 FGADHM Cc1c(NC(=O)N[C@H]2CSc3ccccc32)cccc1-c1nn[n-]n1 ZINC000822091766 607290080 /nfs/dbraw/zinc/29/00/80/607290080.db2.gz SIHVIPGLDYINRT-AWEZNQCLSA-N -1 3 352.423 3.144 20 0 FGADHM Cc1c(NC(=O)CCc2ccc([C@@H]3C[C@@H]3C)o2)cccc1-c1nnn[n-]1 ZINC000822066707 607296641 /nfs/dbraw/zinc/29/66/41/607296641.db2.gz HDVNQEIROGIQEI-XHDPSFHLSA-N -1 3 351.410 3.463 20 0 FGADHM Cc1c(NC(=O)CCc2ccc([C@@H]3C[C@@H]3C)o2)cccc1-c1nn[n-]n1 ZINC000822066707 607296642 /nfs/dbraw/zinc/29/66/42/607296642.db2.gz HDVNQEIROGIQEI-XHDPSFHLSA-N -1 3 351.410 3.463 20 0 FGADHM Cc1cc(C)cc([C@@H](C)NC(=O)c2ncc(-c3nnn[n-]3)cc2Cl)c1 ZINC000822196406 607300862 /nfs/dbraw/zinc/30/08/62/607300862.db2.gz IFVUEBREKOJCIV-LLVKDONJSA-N -1 3 356.817 3.023 20 0 FGADHM Cc1cc(C)cc([C@@H](C)NC(=O)c2ncc(-c3nn[n-]n3)cc2Cl)c1 ZINC000822196406 607300863 /nfs/dbraw/zinc/30/08/63/607300863.db2.gz IFVUEBREKOJCIV-LLVKDONJSA-N -1 3 356.817 3.023 20 0 FGADHM Cc1cccc([C@H]2CCCCCN2C(=O)c2ccc(-c3nnn[n-]3)cn2)c1 ZINC000737389351 599262762 /nfs/dbraw/zinc/26/27/62/599262762.db2.gz LEVBAQYBRLYUAL-GOSISDBHSA-N -1 3 362.437 3.328 20 0 FGADHM Cc1cccc([C@H]2CCCCCN2C(=O)c2ccc(-c3nn[n-]n3)cn2)c1 ZINC000737389351 599262764 /nfs/dbraw/zinc/26/27/64/599262764.db2.gz LEVBAQYBRLYUAL-GOSISDBHSA-N -1 3 362.437 3.328 20 0 FGADHM CC(C)OCCOCc1cccc(NCc2ccc(-c3nnn[n-]3)s2)c1 ZINC000820146574 607313895 /nfs/dbraw/zinc/31/38/95/607313895.db2.gz OGCHHUSINOLTQH-UHFFFAOYSA-N -1 3 373.482 3.482 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N1C[C@@H](C)CCC[C@@H]1C ZINC000821406219 599264951 /nfs/dbraw/zinc/26/49/51/599264951.db2.gz CTCUNLHONTXFFA-STQMWFEESA-N -1 3 358.446 3.308 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N1C[C@@H](C)CCC[C@@H]1C ZINC000821406219 599264953 /nfs/dbraw/zinc/26/49/53/599264953.db2.gz CTCUNLHONTXFFA-STQMWFEESA-N -1 3 358.446 3.308 20 0 FGADHM Cc1cc(NCc2ccc(-c3nnn[n-]3)s2)ccc1N1CCSCC1 ZINC000822209444 607315261 /nfs/dbraw/zinc/31/52/61/607315261.db2.gz JGRFKWUMYDDJSU-UHFFFAOYSA-N -1 3 372.523 3.402 20 0 FGADHM FC(F)(F)c1ccc(N(Cc2cccnc2)C2CC2)c(-c2nnn[n-]2)c1 ZINC000822724002 607303768 /nfs/dbraw/zinc/30/37/68/607303768.db2.gz WDUXLGQUQPRQSI-UHFFFAOYSA-N -1 3 360.343 3.450 20 0 FGADHM FC(F)(F)c1ccc(N(Cc2cccnc2)C2CC2)c(-c2nn[n-]n2)c1 ZINC000822724002 607303769 /nfs/dbraw/zinc/30/37/69/607303769.db2.gz WDUXLGQUQPRQSI-UHFFFAOYSA-N -1 3 360.343 3.450 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000821407948 599267093 /nfs/dbraw/zinc/26/70/93/599267093.db2.gz YJPCNPOVTPJCRB-UMVBOHGHSA-N -1 3 370.457 3.356 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000821407948 599267095 /nfs/dbraw/zinc/26/70/95/599267095.db2.gz YJPCNPOVTPJCRB-UMVBOHGHSA-N -1 3 370.457 3.356 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)C[C@H](C)n1cccc1 ZINC000736487388 599276560 /nfs/dbraw/zinc/27/65/60/599276560.db2.gz FXQMAJWGZCRODK-ZDUSSCGKSA-N -1 3 353.430 3.080 20 0 FGADHM CC1(NC(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CCCC1 ZINC000820623648 599288049 /nfs/dbraw/zinc/28/80/49/599288049.db2.gz VUCANGJVIYHFLD-UHFFFAOYSA-N -1 3 354.336 3.340 20 0 FGADHM CC1(NC(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CCCC1 ZINC000820623648 599288051 /nfs/dbraw/zinc/28/80/51/599288051.db2.gz VUCANGJVIYHFLD-UHFFFAOYSA-N -1 3 354.336 3.340 20 0 FGADHM CCC[C@](C)(O)C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821009619 607324158 /nfs/dbraw/zinc/32/41/58/607324158.db2.gz WZROUWZMPDBOBR-IBGZPJMESA-N -1 3 367.409 3.149 20 0 FGADHM CCC[C@](C)(O)C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821009619 607324159 /nfs/dbraw/zinc/32/41/59/607324159.db2.gz WZROUWZMPDBOBR-IBGZPJMESA-N -1 3 367.409 3.149 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@@H]1CSc2ccccc21 ZINC000736627114 599292329 /nfs/dbraw/zinc/29/23/29/599292329.db2.gz LJNAONWAXDBNGB-CYBMUJFWSA-N -1 3 368.418 3.060 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@@H]1CSc2ccccc21 ZINC000736627114 599292330 /nfs/dbraw/zinc/29/23/30/599292330.db2.gz LJNAONWAXDBNGB-CYBMUJFWSA-N -1 3 368.418 3.060 20 0 FGADHM CC(C)Cn1ccnc1CNc1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000820108737 607326787 /nfs/dbraw/zinc/32/67/87/607326787.db2.gz QITSTSGSXWRBQB-UHFFFAOYSA-N -1 3 365.363 3.350 20 0 FGADHM CC(C)Cn1ccnc1CNc1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000820108737 607326788 /nfs/dbraw/zinc/32/67/88/607326788.db2.gz QITSTSGSXWRBQB-UHFFFAOYSA-N -1 3 365.363 3.350 20 0 FGADHM Cc1cn(Cc2cc(Br)cc3cccnc32)cc1-c1nnn[n-]1 ZINC000822383809 607329585 /nfs/dbraw/zinc/32/95/85/607329585.db2.gz DCOVSSOSJSCDHI-UHFFFAOYSA-N -1 3 369.226 3.336 20 0 FGADHM Cc1cn(Cc2cc(Br)cc3cccnc32)cc1-c1nn[n-]n1 ZINC000822383809 607329586 /nfs/dbraw/zinc/32/95/86/607329586.db2.gz DCOVSSOSJSCDHI-UHFFFAOYSA-N -1 3 369.226 3.336 20 0 FGADHM C[C@@H](NCc1ccc(C(=O)[O-])cc1)c1cc(F)ccc1N1CCC(O)CC1 ZINC000820142612 598176818 /nfs/dbraw/zinc/17/68/18/598176818.db2.gz XZEXCHAJTNWCSQ-CQSZACIVSA-N -1 3 372.440 3.336 20 0 FGADHM O=C(Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)C1CCOCC1 ZINC000738184298 598231377 /nfs/dbraw/zinc/23/13/77/598231377.db2.gz OBTZWDFTTBPJGF-UHFFFAOYSA-N -1 3 365.393 3.024 20 0 FGADHM O=C(Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)C1CCOCC1 ZINC000738184298 598231379 /nfs/dbraw/zinc/23/13/79/598231379.db2.gz OBTZWDFTTBPJGF-UHFFFAOYSA-N -1 3 365.393 3.024 20 0 FGADHM CC(C)(C)[C@@H]1CCCN1C(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000735594726 598232903 /nfs/dbraw/zinc/23/29/03/598232903.db2.gz AGHCELABEGNAAG-HNNXBMFYSA-N -1 3 359.499 3.137 20 0 FGADHM CC(C)(C)[C@@H]1CCCN1C(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000735594726 598232904 /nfs/dbraw/zinc/23/29/04/598232904.db2.gz AGHCELABEGNAAG-HNNXBMFYSA-N -1 3 359.499 3.137 20 0 FGADHM COc1cc(CNc2ccc(-c3nn[n-]n3)cc2F)ccc1OC(C)C ZINC000737047299 598237448 /nfs/dbraw/zinc/23/74/48/598237448.db2.gz KTQSJVPSKCPMQP-UHFFFAOYSA-N -1 3 357.389 3.414 20 0 FGADHM Fc1ccc(N2CC[C@@H](CNc3ccc(-c4nn[n-]n4)cc3F)C2)cc1 ZINC000737658787 598242222 /nfs/dbraw/zinc/24/22/22/598242222.db2.gz IJFMIGKQVCTPBH-LBPRGKRZSA-N -1 3 356.380 3.083 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N1CC[C@@H](c2cccc(F)c2)C1 ZINC000737802949 598243105 /nfs/dbraw/zinc/24/31/05/598243105.db2.gz YWQYILOBUUEKQH-ROJDOSBLSA-N -1 3 363.396 3.035 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N1CC[C@@H](c2cccc(F)c2)C1 ZINC000737802949 598243106 /nfs/dbraw/zinc/24/31/06/598243106.db2.gz YWQYILOBUUEKQH-ROJDOSBLSA-N -1 3 363.396 3.035 20 0 FGADHM CC(C)CN(CC[S@](=O)c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000735827177 598245298 /nfs/dbraw/zinc/24/52/98/598245298.db2.gz HYZSVTWSYYCODM-SANMLTNESA-N -1 3 369.494 3.137 20 0 FGADHM CCN(Cc1ccccc1)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736559494 598274785 /nfs/dbraw/zinc/27/47/85/598274785.db2.gz YKZQLXIPOWAPSQ-UHFFFAOYSA-N -1 3 367.457 3.477 20 0 FGADHM CCN(Cc1ccccc1)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736559494 598274787 /nfs/dbraw/zinc/27/47/87/598274787.db2.gz YKZQLXIPOWAPSQ-UHFFFAOYSA-N -1 3 367.457 3.477 20 0 FGADHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1NCCc1cn2ccccc2n1 ZINC000737626004 598275914 /nfs/dbraw/zinc/27/59/14/598275914.db2.gz FPWFMHYMNQCLLP-UHFFFAOYSA-N -1 3 373.342 3.188 20 0 FGADHM Fc1ccc(Br)c(CSc2ccc(-c3nnn[n-]3)cn2)c1 ZINC000737650454 598278397 /nfs/dbraw/zinc/27/83/97/598278397.db2.gz OVULXHZEBKQEBN-UHFFFAOYSA-N -1 3 366.219 3.456 20 0 FGADHM Fc1ccc(Br)c(CSc2ccc(-c3nn[n-]n3)cn2)c1 ZINC000737650454 598278399 /nfs/dbraw/zinc/27/83/99/598278399.db2.gz OVULXHZEBKQEBN-UHFFFAOYSA-N -1 3 366.219 3.456 20 0 FGADHM COc1ccccc1C(C)=CC(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000737142993 598278714 /nfs/dbraw/zinc/27/87/14/598278714.db2.gz RIPFQALIFJLQMS-ZRDIBKRKSA-N -1 3 367.384 3.081 20 0 FGADHM COc1ccccc1C(C)=CC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000737142993 598278715 /nfs/dbraw/zinc/27/87/15/598278715.db2.gz RIPFQALIFJLQMS-ZRDIBKRKSA-N -1 3 367.384 3.081 20 0 FGADHM Cc1nc(-c2ccco2)ccc1C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737464754 598296172 /nfs/dbraw/zinc/29/61/72/598296172.db2.gz XGMJENHAALXWLS-GFCCVEGCSA-N -1 3 374.404 3.321 20 0 FGADHM Cc1nc(-c2ccco2)ccc1C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737464754 598296174 /nfs/dbraw/zinc/29/61/74/598296174.db2.gz XGMJENHAALXWLS-GFCCVEGCSA-N -1 3 374.404 3.321 20 0 FGADHM CSc1cccc(N(C)C(=O)CCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737193145 598297458 /nfs/dbraw/zinc/29/74/58/598297458.db2.gz XSWBKIDWHWKEJZ-UHFFFAOYSA-N -1 3 353.451 3.184 20 0 FGADHM CSc1cccc(N(C)C(=O)CCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737193145 598297459 /nfs/dbraw/zinc/29/74/59/598297459.db2.gz XSWBKIDWHWKEJZ-UHFFFAOYSA-N -1 3 353.451 3.184 20 0 FGADHM O=C(CCCc1ccc(Cl)cc1)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737838049 598300815 /nfs/dbraw/zinc/30/08/15/598300815.db2.gz XYBJHOXRBCXTBD-UHFFFAOYSA-N -1 3 373.819 3.298 20 0 FGADHM O=C(CCCc1ccc(Cl)cc1)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737838049 598300817 /nfs/dbraw/zinc/30/08/17/598300817.db2.gz XYBJHOXRBCXTBD-UHFFFAOYSA-N -1 3 373.819 3.298 20 0 FGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)Nc1cccc2ccccc21 ZINC000738099274 598316951 /nfs/dbraw/zinc/31/69/51/598316951.db2.gz FRHKIXRURGOIOT-UHFFFAOYSA-N -1 3 362.368 3.481 20 0 FGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)Nc1cccc2ccccc21 ZINC000738099274 598316953 /nfs/dbraw/zinc/31/69/53/598316953.db2.gz FRHKIXRURGOIOT-UHFFFAOYSA-N -1 3 362.368 3.481 20 0 FGADHM CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000736238343 598325304 /nfs/dbraw/zinc/32/53/04/598325304.db2.gz UWBFGDKCZXVWOW-VMGRFDJRSA-N -1 3 374.464 3.266 20 0 FGADHM CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000736238343 598325306 /nfs/dbraw/zinc/32/53/06/598325306.db2.gz UWBFGDKCZXVWOW-VMGRFDJRSA-N -1 3 374.464 3.266 20 0 FGADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cccc(F)c1F ZINC000735831771 598326834 /nfs/dbraw/zinc/32/68/34/598326834.db2.gz VIFXAHWJWDWGTH-UHFFFAOYSA-N -1 3 371.391 3.443 20 0 FGADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cccc(F)c1F ZINC000735831771 598326836 /nfs/dbraw/zinc/32/68/36/598326836.db2.gz VIFXAHWJWDWGTH-UHFFFAOYSA-N -1 3 371.391 3.443 20 0 FGADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCC2(CCCCC2)CC1 ZINC000736171466 598327975 /nfs/dbraw/zinc/32/79/75/598327975.db2.gz WHJBXVISEZVVMG-HNNXBMFYSA-N -1 3 369.469 3.207 20 0 FGADHM CCN(Cc1ccc(C)cc1)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000736556526 598328007 /nfs/dbraw/zinc/32/80/07/598328007.db2.gz XEJXHANOCIJZMJ-UHFFFAOYSA-N -1 3 368.416 3.046 20 0 FGADHM CCN(Cc1ccc(C)cc1)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000736556526 598328008 /nfs/dbraw/zinc/32/80/08/598328008.db2.gz XEJXHANOCIJZMJ-UHFFFAOYSA-N -1 3 368.416 3.046 20 0 FGADHM C[C@H](c1ccc(F)cc1)N(C)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000736197567 598328748 /nfs/dbraw/zinc/32/87/48/598328748.db2.gz AFQNZFSYFCLTBN-LLVKDONJSA-N -1 3 372.379 3.048 20 0 FGADHM C[C@H](c1ccc(F)cc1)N(C)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000736197567 598328750 /nfs/dbraw/zinc/32/87/50/598328750.db2.gz AFQNZFSYFCLTBN-LLVKDONJSA-N -1 3 372.379 3.048 20 0 FGADHM CC1(c2ccccc2)CC(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)C1 ZINC000736223646 598360565 /nfs/dbraw/zinc/36/05/65/598360565.db2.gz OTSMKPWBVOFMIB-VAWYXSNFSA-N -1 3 359.433 3.116 20 0 FGADHM CC1(c2ccccc2)CC(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)C1 ZINC000736223646 598360567 /nfs/dbraw/zinc/36/05/67/598360567.db2.gz OTSMKPWBVOFMIB-VAWYXSNFSA-N -1 3 359.433 3.116 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N1CCC[C@H](Cc2ccccc2)C1 ZINC000737801351 598362654 /nfs/dbraw/zinc/36/26/54/598362654.db2.gz SZTBKMJZYVGKRJ-MENFKHAKSA-N -1 3 373.460 3.361 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N1CCC[C@H](Cc2ccccc2)C1 ZINC000737801351 598362655 /nfs/dbraw/zinc/36/26/55/598362655.db2.gz SZTBKMJZYVGKRJ-MENFKHAKSA-N -1 3 373.460 3.361 20 0 FGADHM COc1ccc(C(C)(C)CNc2cccc(F)c2-c2nnn[n-]2)cc1OC ZINC000737071845 598363107 /nfs/dbraw/zinc/36/31/07/598363107.db2.gz HUTVLGLEOATJGR-UHFFFAOYSA-N -1 3 371.416 3.413 20 0 FGADHM COc1ccc(C(C)(C)CNc2cccc(F)c2-c2nn[n-]n2)cc1OC ZINC000737071845 598363109 /nfs/dbraw/zinc/36/31/09/598363109.db2.gz HUTVLGLEOATJGR-UHFFFAOYSA-N -1 3 371.416 3.413 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NC1CC(C)(c2ccccc2)C1 ZINC000737295765 598373059 /nfs/dbraw/zinc/37/30/59/598373059.db2.gz ZKTARBPEKYKJBL-UHFFFAOYSA-N -1 3 362.437 3.417 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NC1CC(C)(c2ccccc2)C1 ZINC000737295765 598373061 /nfs/dbraw/zinc/37/30/61/598373061.db2.gz ZKTARBPEKYKJBL-UHFFFAOYSA-N -1 3 362.437 3.417 20 0 FGADHM Clc1cccc(OCCNc2ncc(-c3nnn[n-]3)cc2Cl)c1 ZINC000737576477 598390113 /nfs/dbraw/zinc/39/01/13/598390113.db2.gz XSMMJVQOUFDHOK-UHFFFAOYSA-N -1 3 351.197 3.059 20 0 FGADHM Clc1cccc(OCCNc2ncc(-c3nn[n-]n3)cc2Cl)c1 ZINC000737576477 598390115 /nfs/dbraw/zinc/39/01/15/598390115.db2.gz XSMMJVQOUFDHOK-UHFFFAOYSA-N -1 3 351.197 3.059 20 0 FGADHM COc1cccc(C2CCN(c3ncc(-c4nnn[n-]4)cc3Cl)CC2)c1 ZINC000737128424 598393772 /nfs/dbraw/zinc/39/37/72/598393772.db2.gz DQKDZHSAMKHRFZ-UHFFFAOYSA-N -1 3 370.844 3.308 20 0 FGADHM COc1cccc(C2CCN(c3ncc(-c4nn[n-]n4)cc3Cl)CC2)c1 ZINC000737128424 598393773 /nfs/dbraw/zinc/39/37/73/598393773.db2.gz DQKDZHSAMKHRFZ-UHFFFAOYSA-N -1 3 370.844 3.308 20 0 FGADHM CCC(=O)c1cccc(NC(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000820843128 607355930 /nfs/dbraw/zinc/35/59/30/607355930.db2.gz TYVWPTMHPPTNNG-LBPRGKRZSA-N -1 3 364.409 3.342 20 0 FGADHM COc1cccc([C@@H]2C[C@H]2C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000737131936 598394528 /nfs/dbraw/zinc/39/45/28/598394528.db2.gz YYYLZSGKPKXRFD-LSDHHAIUSA-N -1 3 369.812 3.271 20 0 FGADHM COc1cccc([C@@H]2C[C@H]2C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000737131936 598394530 /nfs/dbraw/zinc/39/45/30/598394530.db2.gz YYYLZSGKPKXRFD-LSDHHAIUSA-N -1 3 369.812 3.271 20 0 FGADHM CCC(=O)c1cccc(NC(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000820843128 607355932 /nfs/dbraw/zinc/35/59/32/607355932.db2.gz TYVWPTMHPPTNNG-LBPRGKRZSA-N -1 3 364.409 3.342 20 0 FGADHM CN(C(=O)c1ccccc1SCc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000736741090 598404708 /nfs/dbraw/zinc/40/47/08/598404708.db2.gz NBRBSYWOZHAKPN-UHFFFAOYSA-N -1 3 365.462 3.393 20 0 FGADHM CN(C(=O)c1ccccc1SCc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000736741090 598404709 /nfs/dbraw/zinc/40/47/09/598404709.db2.gz NBRBSYWOZHAKPN-UHFFFAOYSA-N -1 3 365.462 3.393 20 0 FGADHM Cc1nc(NC(=O)[C@@H](C)Sc2ccc(-c3nnn[n-]3)cc2)sc1C ZINC000737480695 598417515 /nfs/dbraw/zinc/41/75/15/598417515.db2.gz RMVKKUJTHIELPV-SNVBAGLBSA-N -1 3 360.468 3.059 20 0 FGADHM Cc1nc(NC(=O)[C@@H](C)Sc2ccc(-c3nn[n-]n3)cc2)sc1C ZINC000737480695 598417518 /nfs/dbraw/zinc/41/75/18/598417518.db2.gz RMVKKUJTHIELPV-SNVBAGLBSA-N -1 3 360.468 3.059 20 0 FGADHM Clc1ccccc1-c1nnc(CNc2cccc(-c3nnn[n-]3)c2)o1 ZINC000737575288 598420128 /nfs/dbraw/zinc/42/01/28/598420128.db2.gz PEOUIZVKSKJZHN-UHFFFAOYSA-N -1 3 353.773 3.182 20 0 FGADHM Clc1ccccc1-c1nnc(CNc2cccc(-c3nn[n-]n3)c2)o1 ZINC000737575288 598420130 /nfs/dbraw/zinc/42/01/30/598420130.db2.gz PEOUIZVKSKJZHN-UHFFFAOYSA-N -1 3 353.773 3.182 20 0 FGADHM Clc1ccc(-c2noc(CNc3cccc(-c4nnn[n-]4)c3)n2)cc1 ZINC000737570481 598420383 /nfs/dbraw/zinc/42/03/83/598420383.db2.gz IBUQBQCKCZXYCU-UHFFFAOYSA-N -1 3 353.773 3.182 20 0 FGADHM Clc1ccc(-c2noc(CNc3cccc(-c4nn[n-]n4)c3)n2)cc1 ZINC000737570481 598420385 /nfs/dbraw/zinc/42/03/85/598420385.db2.gz IBUQBQCKCZXYCU-UHFFFAOYSA-N -1 3 353.773 3.182 20 0 FGADHM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)cn1)c1ccc(Cl)cc1Cl ZINC000736116730 598437530 /nfs/dbraw/zinc/43/75/30/598437530.db2.gz COWYSAVVXRJMHG-QMMMGPOBSA-N -1 3 363.208 3.060 20 0 FGADHM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)cn1)c1ccc(Cl)cc1Cl ZINC000736116730 598437533 /nfs/dbraw/zinc/43/75/33/598437533.db2.gz COWYSAVVXRJMHG-QMMMGPOBSA-N -1 3 363.208 3.060 20 0 FGADHM COc1ccc([C@H](C)C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)cc1 ZINC000737073841 598440540 /nfs/dbraw/zinc/44/05/40/598440540.db2.gz UJJJFKCMXQNCBM-JTQLQIEISA-N -1 3 357.801 3.271 20 0 FGADHM COc1ccc([C@H](C)C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)cc1 ZINC000737073841 598440541 /nfs/dbraw/zinc/44/05/41/598440541.db2.gz UJJJFKCMXQNCBM-JTQLQIEISA-N -1 3 357.801 3.271 20 0 FGADHM CC(=CC(=O)NCc1cccc(-c2nnn[n-]2)c1)c1ccccc1Cl ZINC000735449570 598442538 /nfs/dbraw/zinc/44/25/38/598442538.db2.gz RGBKYZSAHAKXJX-FMIVXFBMSA-N -1 3 353.813 3.240 20 0 FGADHM CC(=CC(=O)NCc1cccc(-c2nn[n-]n2)c1)c1ccccc1Cl ZINC000735449570 598442540 /nfs/dbraw/zinc/44/25/40/598442540.db2.gz RGBKYZSAHAKXJX-FMIVXFBMSA-N -1 3 353.813 3.240 20 0 FGADHM Cc1ccc(-c2nsc(NC(=O)c3ccc(-c4nnn[n-]4)cc3)n2)s1 ZINC000737303784 598445763 /nfs/dbraw/zinc/44/57/63/598445763.db2.gz PXYJRHXXMMFJPH-UHFFFAOYSA-N -1 3 369.435 3.007 20 0 FGADHM Cc1ccc(-c2nsc(NC(=O)c3ccc(-c4nn[n-]n4)cc3)n2)s1 ZINC000737303784 598445764 /nfs/dbraw/zinc/44/57/64/598445764.db2.gz PXYJRHXXMMFJPH-UHFFFAOYSA-N -1 3 369.435 3.007 20 0 FGADHM O=C(Nc1cccc(SC(F)F)c1)c1sccc1-c1nnn[n-]1 ZINC000738183635 598451586 /nfs/dbraw/zinc/45/15/86/598451586.db2.gz KWYOFWIILATBQG-UHFFFAOYSA-N -1 3 353.379 3.495 20 0 FGADHM O=C(Nc1cccc(SC(F)F)c1)c1sccc1-c1nn[n-]n1 ZINC000738183635 598451588 /nfs/dbraw/zinc/45/15/88/598451588.db2.gz KWYOFWIILATBQG-UHFFFAOYSA-N -1 3 353.379 3.495 20 0 FGADHM O=C(Nc1ccc(Nc2ccccc2)cc1)c1ccc(-c2nnn[n-]2)cn1 ZINC000738175174 598458315 /nfs/dbraw/zinc/45/83/15/598458315.db2.gz VKRMOBNTAAOAQH-UHFFFAOYSA-N -1 3 357.377 3.258 20 0 FGADHM O=C(Nc1ccc(Nc2ccccc2)cc1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738175174 598458317 /nfs/dbraw/zinc/45/83/17/598458317.db2.gz VKRMOBNTAAOAQH-UHFFFAOYSA-N -1 3 357.377 3.258 20 0 FGADHM Cc1nnc(NCC2(c3ccc(Cl)cc3)CC2)c(-c2nnn[n-]2)c1C ZINC000737521226 598458554 /nfs/dbraw/zinc/45/85/54/598458554.db2.gz OLJZXJWHTJNGOU-UHFFFAOYSA-N -1 3 355.833 3.071 20 0 FGADHM Cc1nnc(NCC2(c3ccc(Cl)cc3)CC2)c(-c2nn[n-]n2)c1C ZINC000737521226 598458555 /nfs/dbraw/zinc/45/85/55/598458555.db2.gz OLJZXJWHTJNGOU-UHFFFAOYSA-N -1 3 355.833 3.071 20 0 FGADHM O=C(c1ccc(-c2nnn[n-]2)cn1)N1CCC[C@H]1c1cccc2ccccc21 ZINC000738260868 598461753 /nfs/dbraw/zinc/46/17/53/598461753.db2.gz HMYVPJOAZIAZIF-IBGZPJMESA-N -1 3 370.416 3.392 20 0 FGADHM O=C(c1ccc(-c2nn[n-]n2)cn1)N1CCC[C@H]1c1cccc2ccccc21 ZINC000738260868 598461754 /nfs/dbraw/zinc/46/17/54/598461754.db2.gz HMYVPJOAZIAZIF-IBGZPJMESA-N -1 3 370.416 3.392 20 0 FGADHM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)cn1)c1ccc(Cl)cc1Cl ZINC000736158444 598479034 /nfs/dbraw/zinc/47/90/34/598479034.db2.gz PYRVJYIZAJOQFS-QMMMGPOBSA-N -1 3 364.192 3.487 20 0 FGADHM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)cn1)c1ccc(Cl)cc1Cl ZINC000736158444 598479036 /nfs/dbraw/zinc/47/90/36/598479036.db2.gz PYRVJYIZAJOQFS-QMMMGPOBSA-N -1 3 364.192 3.487 20 0 FGADHM C[C@@H](Oc1ccc(F)c(F)c1)C(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000736179100 598482925 /nfs/dbraw/zinc/48/29/25/598482925.db2.gz ZALCIAILGLUTQV-GHMZBOCLSA-N -1 3 374.347 3.217 20 0 FGADHM C[C@@H](Oc1ccc(F)c(F)c1)C(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000736179100 598482927 /nfs/dbraw/zinc/48/29/27/598482927.db2.gz ZALCIAILGLUTQV-GHMZBOCLSA-N -1 3 374.347 3.217 20 0 FGADHM Cc1ccc(OCC(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c(C)c1 ZINC000737366247 598489942 /nfs/dbraw/zinc/48/99/42/598489942.db2.gz VVCDXYHNRKWPIT-AWEZNQCLSA-N -1 3 352.394 3.167 20 0 FGADHM Cc1ccc(OCC(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c(C)c1 ZINC000737366247 598489943 /nfs/dbraw/zinc/48/99/43/598489943.db2.gz VVCDXYHNRKWPIT-AWEZNQCLSA-N -1 3 352.394 3.167 20 0 FGADHM Cn1c(C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)cc2ccccc21 ZINC000737590125 598491658 /nfs/dbraw/zinc/49/16/58/598491658.db2.gz GLDSSOHXSYDJFW-UHFFFAOYSA-N -1 3 363.425 3.167 20 0 FGADHM Cn1c(C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)cc2ccccc21 ZINC000737590125 598491660 /nfs/dbraw/zinc/49/16/60/598491660.db2.gz GLDSSOHXSYDJFW-UHFFFAOYSA-N -1 3 363.425 3.167 20 0 FGADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N(CC1CC1)C1CCCCC1 ZINC000736179382 598499678 /nfs/dbraw/zinc/49/96/78/598499678.db2.gz CWKDVNQMRBCMEV-CQSZACIVSA-N -1 3 369.469 3.205 20 0 FGADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N(CC1CC1)C1CCCCC1 ZINC000736179382 598499679 /nfs/dbraw/zinc/49/96/79/598499679.db2.gz CWKDVNQMRBCMEV-CQSZACIVSA-N -1 3 369.469 3.205 20 0 FGADHM COc1ccccc1[C@@H]1CCCN1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000737147116 598527956 /nfs/dbraw/zinc/52/79/56/598527956.db2.gz KFIQCFJZZCLSAH-INIZCTEOSA-N -1 3 364.409 3.244 20 0 FGADHM COc1ccccc1[C@@H]1CCCN1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000737147116 598527958 /nfs/dbraw/zinc/52/79/58/598527958.db2.gz KFIQCFJZZCLSAH-INIZCTEOSA-N -1 3 364.409 3.244 20 0 FGADHM CCc1ccc([C@H](C)C(=O)OCCOc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736685087 598533382 /nfs/dbraw/zinc/53/33/82/598533382.db2.gz FAWMDYUBMPUHCB-AWEZNQCLSA-N -1 3 366.421 3.155 20 0 FGADHM CCc1ccc([C@H](C)C(=O)OCCOc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736685087 598533384 /nfs/dbraw/zinc/53/33/84/598533384.db2.gz FAWMDYUBMPUHCB-AWEZNQCLSA-N -1 3 366.421 3.155 20 0 FGADHM O=C(Oc1ccccc1OCC(F)(F)F)c1sccc1-c1nnn[n-]1 ZINC000738247649 598534064 /nfs/dbraw/zinc/53/40/64/598534064.db2.gz SQXUYRRPGYOEHN-UHFFFAOYSA-N -1 3 370.312 3.089 20 0 FGADHM C[C@H]1CCCCN1C(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000736266443 598538542 /nfs/dbraw/zinc/53/85/42/598538542.db2.gz HSDHLLUXGAXRCP-ZDUSSCGKSA-N -1 3 367.409 3.053 20 0 FGADHM CC(C)c1ccccc1NC(=O)COc1ccc(-c2nnn[n-]2)c(F)c1 ZINC000735933475 598548389 /nfs/dbraw/zinc/54/83/89/598548389.db2.gz XAVGTVZMEUKUBZ-UHFFFAOYSA-N -1 3 355.373 3.147 20 0 FGADHM CC(C)c1ccccc1NC(=O)COc1ccc(-c2nn[n-]n2)c(F)c1 ZINC000735933475 598548391 /nfs/dbraw/zinc/54/83/91/598548391.db2.gz XAVGTVZMEUKUBZ-UHFFFAOYSA-N -1 3 355.373 3.147 20 0 FGADHM Fc1ccc(COc2ccc(-c3nnn[n-]3)c(F)c2)cc1Br ZINC000737648363 598550302 /nfs/dbraw/zinc/55/03/02/598550302.db2.gz JKZMHVYYFALGBB-UHFFFAOYSA-N -1 3 367.153 3.486 20 0 FGADHM Fc1ccc(COc2ccc(-c3nn[n-]n3)c(F)c2)cc1Br ZINC000737648363 598550304 /nfs/dbraw/zinc/55/03/04/598550304.db2.gz JKZMHVYYFALGBB-UHFFFAOYSA-N -1 3 367.153 3.486 20 0 FGADHM CC[C@@H]1CCCCN1C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000736399588 598560507 /nfs/dbraw/zinc/56/05/07/598560507.db2.gz IVPCUWXIVKDEHN-LLVKDONJSA-N -1 3 366.372 3.265 20 0 FGADHM CC[C@@H]1CCCCN1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000736399588 598560508 /nfs/dbraw/zinc/56/05/08/598560508.db2.gz IVPCUWXIVKDEHN-LLVKDONJSA-N -1 3 366.372 3.265 20 0 FGADHM CC(C)COc1ccccc1C(=O)OCc1cccc(-c2nnn[n-]2)c1 ZINC000735845259 598563099 /nfs/dbraw/zinc/56/30/99/598563099.db2.gz ULDWAJKFBVBOCG-UHFFFAOYSA-N -1 3 352.394 3.259 20 0 FGADHM CC(C)COc1ccccc1C(=O)OCc1cccc(-c2nn[n-]n2)c1 ZINC000735845259 598563101 /nfs/dbraw/zinc/56/31/01/598563101.db2.gz ULDWAJKFBVBOCG-UHFFFAOYSA-N -1 3 352.394 3.259 20 0 FGADHM Cc1oc(-c2ccsc2)nc1CC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000737546624 598572654 /nfs/dbraw/zinc/57/26/54/598572654.db2.gz FJWNDSTZUZFYLG-UHFFFAOYSA-N -1 3 366.406 3.073 20 0 FGADHM Cc1oc(-c2ccsc2)nc1CC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000737546624 598572655 /nfs/dbraw/zinc/57/26/55/598572655.db2.gz FJWNDSTZUZFYLG-UHFFFAOYSA-N -1 3 366.406 3.073 20 0 FGADHM C[C@@H](COCC(F)(F)F)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000736039061 598577384 /nfs/dbraw/zinc/57/73/84/598577384.db2.gz ZIBZUDKIUPAJNP-ZETCQYMHSA-N -1 3 369.269 3.265 20 0 FGADHM C[C@@H](COCC(F)(F)F)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000736039061 598577385 /nfs/dbraw/zinc/57/73/85/598577385.db2.gz ZIBZUDKIUPAJNP-ZETCQYMHSA-N -1 3 369.269 3.265 20 0 FGADHM Cc1cccc(OCCC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c1C ZINC000737400732 598586375 /nfs/dbraw/zinc/58/63/75/598586375.db2.gz GCVLTZQKOFJYKT-UHFFFAOYSA-N -1 3 355.373 3.030 20 0 FGADHM Cc1cccc(OCCC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c1C ZINC000737400732 598586377 /nfs/dbraw/zinc/58/63/77/598586377.db2.gz GCVLTZQKOFJYKT-UHFFFAOYSA-N -1 3 355.373 3.030 20 0 FGADHM Cc1ccc(F)c2c1CCCN2C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000737344708 598588063 /nfs/dbraw/zinc/58/80/63/598588063.db2.gz JRALMEGUHNJJEZ-LUAWRHEFSA-N -1 3 363.396 3.307 20 0 FGADHM Cc1ccc(F)c2c1CCCN2C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000737344708 598588064 /nfs/dbraw/zinc/58/80/64/598588064.db2.gz JRALMEGUHNJJEZ-LUAWRHEFSA-N -1 3 363.396 3.307 20 0 FGADHM O=C(Cc1ccc(C(F)(F)F)cc1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737955413 598588285 /nfs/dbraw/zinc/58/82/85/598588285.db2.gz GMPPKKZVVASTLB-UHFFFAOYSA-N -1 3 365.290 3.206 20 0 FGADHM O=C(Cc1ccc(C(F)(F)F)cc1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737955413 598588286 /nfs/dbraw/zinc/58/82/86/598588286.db2.gz GMPPKKZVVASTLB-UHFFFAOYSA-N -1 3 365.290 3.206 20 0 FGADHM C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736180385 598588400 /nfs/dbraw/zinc/58/84/00/598588400.db2.gz HRGHFEWJHRLCHB-VIFPVBQESA-N -1 3 361.764 3.065 20 0 FGADHM C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736180385 598588402 /nfs/dbraw/zinc/58/84/02/598588402.db2.gz HRGHFEWJHRLCHB-VIFPVBQESA-N -1 3 361.764 3.065 20 0 FGADHM Cc1cc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)nc(-c2ccccn2)n1 ZINC000737274626 598592372 /nfs/dbraw/zinc/59/23/72/598592372.db2.gz PKLLMFJJTYRQBU-ZDUSSCGKSA-N -1 3 358.409 3.200 20 0 FGADHM Cc1cc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)nc(-c2ccccn2)n1 ZINC000737274626 598592373 /nfs/dbraw/zinc/59/23/73/598592373.db2.gz PKLLMFJJTYRQBU-ZDUSSCGKSA-N -1 3 358.409 3.200 20 0 FGADHM Cc1ccccc1CC(C)(C)NC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000737425855 598607929 /nfs/dbraw/zinc/60/79/29/598607929.db2.gz FGTFRUNEQWFGPR-UHFFFAOYSA-N -1 3 350.426 3.318 20 0 FGADHM Cc1ccccc1CC(C)(C)NC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000737425855 598607931 /nfs/dbraw/zinc/60/79/31/598607931.db2.gz FGTFRUNEQWFGPR-UHFFFAOYSA-N -1 3 350.426 3.318 20 0 FGADHM O=C(N[C@@H]1CCCC[C@H]1Cc1ccccc1)c1sccc1-c1nnn[n-]1 ZINC000738026378 598609546 /nfs/dbraw/zinc/60/95/46/598609546.db2.gz QTLKABVKYYDSHW-GOEBONIOSA-N -1 3 367.478 3.460 20 0 FGADHM O=C(N[C@@H]1CCCC[C@H]1Cc1ccccc1)c1sccc1-c1nn[n-]n1 ZINC000738026378 598609548 /nfs/dbraw/zinc/60/95/48/598609548.db2.gz QTLKABVKYYDSHW-GOEBONIOSA-N -1 3 367.478 3.460 20 0 FGADHM Clc1cccc(Cc2noc(CCc3ccc(-c4nnn[n-]4)cc3)n2)c1 ZINC000737574598 598612896 /nfs/dbraw/zinc/61/28/96/598612896.db2.gz MQEWSFSUUHTVLE-UHFFFAOYSA-N -1 3 366.812 3.279 20 0 FGADHM Clc1cccc(Cc2noc(CCc3ccc(-c4nn[n-]n4)cc3)n2)c1 ZINC000737574598 598612898 /nfs/dbraw/zinc/61/28/98/598612898.db2.gz MQEWSFSUUHTVLE-UHFFFAOYSA-N -1 3 366.812 3.279 20 0 FGADHM CCC[C@@H]1CCCC[C@@H]1NC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736435400 598617099 /nfs/dbraw/zinc/61/70/99/598617099.db2.gz LKZQIQNZMJJISL-WBVHZDCISA-N -1 3 356.474 3.367 20 0 FGADHM CCC[C@@H]1CCCC[C@@H]1NC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736435400 598617101 /nfs/dbraw/zinc/61/71/01/598617101.db2.gz LKZQIQNZMJJISL-WBVHZDCISA-N -1 3 356.474 3.367 20 0 FGADHM C[C@@H](CN(C)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000735997790 598625743 /nfs/dbraw/zinc/62/57/43/598625743.db2.gz FXQYVFPMVSKIRM-LBPRGKRZSA-N -1 3 354.389 3.273 20 0 FGADHM C[C@@H](CN(C)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000735997790 598625745 /nfs/dbraw/zinc/62/57/45/598625745.db2.gz FXQYVFPMVSKIRM-LBPRGKRZSA-N -1 3 354.389 3.273 20 0 FGADHM O=C(NCCc1ccc(Cl)s1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738087668 598628008 /nfs/dbraw/zinc/62/80/08/598628008.db2.gz KELBHLLUJDAXMD-UHFFFAOYSA-N -1 3 366.809 3.085 20 0 FGADHM O=C(NCCc1ccc(Cl)s1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738087668 598628010 /nfs/dbraw/zinc/62/80/10/598628010.db2.gz KELBHLLUJDAXMD-UHFFFAOYSA-N -1 3 366.809 3.085 20 0 FGADHM CC[C@@H](Sc1ccccc1)C(=O)Oc1ccc(-c2nnn[n-]2)cc1OC ZINC000736391771 598645979 /nfs/dbraw/zinc/64/59/79/598645979.db2.gz NXVURVOJYVNTSK-MRXNPFEDSA-N -1 3 370.434 3.352 20 0 FGADHM CC[C@@H](Sc1ccccc1)C(=O)Oc1ccc(-c2nn[n-]n2)cc1OC ZINC000736391771 598645982 /nfs/dbraw/zinc/64/59/82/598645982.db2.gz NXVURVOJYVNTSK-MRXNPFEDSA-N -1 3 370.434 3.352 20 0 FGADHM CC[C@H](Sc1ccccc1)C(=O)Oc1ccc(-c2nnn[n-]2)cc1OC ZINC000736391770 598646168 /nfs/dbraw/zinc/64/61/68/598646168.db2.gz NXVURVOJYVNTSK-INIZCTEOSA-N -1 3 370.434 3.352 20 0 FGADHM CC[C@H](Sc1ccccc1)C(=O)Oc1ccc(-c2nn[n-]n2)cc1OC ZINC000736391770 598646169 /nfs/dbraw/zinc/64/61/69/598646169.db2.gz NXVURVOJYVNTSK-INIZCTEOSA-N -1 3 370.434 3.352 20 0 FGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)OCc1ccc(Cl)cc1 ZINC000737946852 598647694 /nfs/dbraw/zinc/64/76/94/598647694.db2.gz GYZBJVFZRCLFSQ-UHFFFAOYSA-N -1 3 360.826 3.356 20 0 FGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)OCc1ccc(Cl)cc1 ZINC000737946852 598647695 /nfs/dbraw/zinc/64/76/95/598647695.db2.gz GYZBJVFZRCLFSQ-UHFFFAOYSA-N -1 3 360.826 3.356 20 0 FGADHM Cc1ccccc1CNC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000737427261 598648800 /nfs/dbraw/zinc/64/88/00/598648800.db2.gz BRVLMKAMJRIPPE-UHFFFAOYSA-N -1 3 365.437 3.041 20 0 FGADHM Cc1ccccc1CNC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000737427261 598648801 /nfs/dbraw/zinc/64/88/01/598648801.db2.gz BRVLMKAMJRIPPE-UHFFFAOYSA-N -1 3 365.437 3.041 20 0 FGADHM COc1ccccc1[C@H](C)CC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737143091 598652493 /nfs/dbraw/zinc/65/24/93/598652493.db2.gz SBDYZFICGAEGMA-ZIAGYGMSSA-N -1 3 365.437 3.246 20 0 FGADHM COc1ccccc1[C@H](C)CC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737143091 598652495 /nfs/dbraw/zinc/65/24/95/598652495.db2.gz SBDYZFICGAEGMA-ZIAGYGMSSA-N -1 3 365.437 3.246 20 0 FGADHM COc1ccccc1[C@H](C)CC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000737141941 598652606 /nfs/dbraw/zinc/65/26/06/598652606.db2.gz KWAXXBLYNFGIBY-CQSZACIVSA-N -1 3 365.437 3.028 20 0 FGADHM COc1ccccc1[C@H](C)CC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000737141941 598652609 /nfs/dbraw/zinc/65/26/09/598652609.db2.gz KWAXXBLYNFGIBY-CQSZACIVSA-N -1 3 365.437 3.028 20 0 FGADHM CCN(C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)[C@H](C)C(C)C ZINC000736501566 598656414 /nfs/dbraw/zinc/65/64/14/598656414.db2.gz FKHUNVBJSQORRS-OAHLLOKOSA-N -1 3 359.474 3.309 20 0 FGADHM CCN(C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)[C@H](C)C(C)C ZINC000736501566 598656416 /nfs/dbraw/zinc/65/64/16/598656416.db2.gz FKHUNVBJSQORRS-OAHLLOKOSA-N -1 3 359.474 3.309 20 0 FGADHM CCOCc1cccc(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736627979 598657764 /nfs/dbraw/zinc/65/77/64/598657764.db2.gz YFQGYJRZTWGPHV-UHFFFAOYSA-N -1 3 369.450 3.134 20 0 FGADHM CCOCc1cccc(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736627979 598657766 /nfs/dbraw/zinc/65/77/66/598657766.db2.gz YFQGYJRZTWGPHV-UHFFFAOYSA-N -1 3 369.450 3.134 20 0 FGADHM CC[C@@H](C)Oc1ccccc1C=CC(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000736326938 598661460 /nfs/dbraw/zinc/66/14/60/598661460.db2.gz JPCPMIBUICTRBT-YGNAEDSMSA-N -1 3 364.409 3.091 20 0 FGADHM CC[C@@H](C)Oc1ccccc1C=CC(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000736326938 598661461 /nfs/dbraw/zinc/66/14/61/598661461.db2.gz JPCPMIBUICTRBT-YGNAEDSMSA-N -1 3 364.409 3.091 20 0 FGADHM Cc1ccc2c(c1)N(C(=O)CSc1ccc(-c3nnn[n-]3)cc1)CCC2 ZINC000737377160 598668421 /nfs/dbraw/zinc/66/84/21/598668421.db2.gz LDKQWWPPQILYTP-UHFFFAOYSA-N -1 3 365.462 3.247 20 0 FGADHM Cc1ccc2c(c1)N(C(=O)CSc1ccc(-c3nn[n-]n3)cc1)CCC2 ZINC000737377160 598668423 /nfs/dbraw/zinc/66/84/23/598668423.db2.gz LDKQWWPPQILYTP-UHFFFAOYSA-N -1 3 365.462 3.247 20 0 FGADHM CCc1cccc2c(CCNc3nc4c(cc3-c3nnn[n-]3)CCC4)c[nH]c21 ZINC000736695874 598678690 /nfs/dbraw/zinc/67/86/90/598678690.db2.gz RRDDGXUQIDRWSO-UHFFFAOYSA-N -1 3 373.464 3.449 20 0 FGADHM CCc1cccc2c(CCNc3nc4c(cc3-c3nn[n-]n3)CCC4)c[nH]c21 ZINC000736695874 598678692 /nfs/dbraw/zinc/67/86/92/598678692.db2.gz RRDDGXUQIDRWSO-UHFFFAOYSA-N -1 3 373.464 3.449 20 0 FGADHM O[C@@H](CNc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)cc1Cl ZINC000738385147 598679180 /nfs/dbraw/zinc/67/91/80/598679180.db2.gz WGIAORBNCLIDTO-AWEZNQCLSA-N -1 3 350.209 3.319 20 0 FGADHM Fc1ccc(CN2CCO[C@H](c3ccc(Cl)cc3)C2)c(-c2nnn[n-]2)c1 ZINC000737651179 598683193 /nfs/dbraw/zinc/68/31/93/598683193.db2.gz URLSVKNALGSIBZ-KRWDZBQOSA-N -1 3 373.819 3.233 20 0 FGADHM Fc1ccc(CN2CCO[C@H](c3ccc(Cl)cc3)C2)c(-c2nn[n-]n2)c1 ZINC000737651179 598683194 /nfs/dbraw/zinc/68/31/94/598683194.db2.gz URLSVKNALGSIBZ-KRWDZBQOSA-N -1 3 373.819 3.233 20 0 FGADHM c1csc(-c2nc(CNCc3cccc(-c4nn[n-]n4)c3)cs2)c1 ZINC000738413731 598698397 /nfs/dbraw/zinc/69/83/97/598698397.db2.gz WORITCHBHVAVFM-UHFFFAOYSA-N -1 3 354.464 3.342 20 0 FGADHM Cc1cc(C)c(OCC(=O)OCc2ccc(F)cc2-c2nnn[n-]2)c(C)c1 ZINC000737249387 598704941 /nfs/dbraw/zinc/70/49/41/598704941.db2.gz XSAQEQPPJRTWML-UHFFFAOYSA-N -1 3 370.384 3.053 20 0 FGADHM Cc1cc(C)c(OCC(=O)OCc2ccc(F)cc2-c2nn[n-]n2)c(C)c1 ZINC000737249387 598704942 /nfs/dbraw/zinc/70/49/42/598704942.db2.gz XSAQEQPPJRTWML-UHFFFAOYSA-N -1 3 370.384 3.053 20 0 FGADHM Cc1nc2c(s1)[C@@H](N(C)Cc1ccc(-c3nn[n-]n3)cc1F)CCC2 ZINC000737488589 598708252 /nfs/dbraw/zinc/70/82/52/598708252.db2.gz RNPAULQVMWOALP-HNNXBMFYSA-N -1 3 358.446 3.280 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000738233030 598708373 /nfs/dbraw/zinc/70/83/73/598708373.db2.gz ZSTLWAAWSQDBKN-GXSJLCMTSA-N -1 3 372.322 3.418 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000738233030 598708374 /nfs/dbraw/zinc/70/83/74/598708374.db2.gz ZSTLWAAWSQDBKN-GXSJLCMTSA-N -1 3 372.322 3.418 20 0 FGADHM Cc1cccc(C2(C(=O)OCc3ccc(F)cc3-c3nnn[n-]3)CC2)c1 ZINC000737388447 598709672 /nfs/dbraw/zinc/70/96/72/598709672.db2.gz DOQWOXUVUWYQNJ-UHFFFAOYSA-N -1 3 352.369 3.089 20 0 FGADHM Cc1cccc(C2(C(=O)OCc3ccc(F)cc3-c3nn[n-]n3)CC2)c1 ZINC000737388447 598709674 /nfs/dbraw/zinc/70/96/74/598709674.db2.gz DOQWOXUVUWYQNJ-UHFFFAOYSA-N -1 3 352.369 3.089 20 0 FGADHM C[C@@H](OC(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1 ZINC000736155184 598713165 /nfs/dbraw/zinc/71/31/65/598713165.db2.gz JFGCWVKDAZLKAO-LLVKDONJSA-N -1 3 358.398 3.402 20 0 FGADHM C[C@@H](OC(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1 ZINC000736155184 598713166 /nfs/dbraw/zinc/71/31/66/598713166.db2.gz JFGCWVKDAZLKAO-LLVKDONJSA-N -1 3 358.398 3.402 20 0 FGADHM O=C(OCC1CC1)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000738220829 598728170 /nfs/dbraw/zinc/72/81/70/598728170.db2.gz VGGOFSJVRAGRAK-UHFFFAOYSA-N -1 3 350.378 3.013 20 0 FGADHM O=C(OCC1CC1)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000738220829 598728172 /nfs/dbraw/zinc/72/81/72/598728172.db2.gz VGGOFSJVRAGRAK-UHFFFAOYSA-N -1 3 350.378 3.013 20 0 FGADHM CC[C@H](CC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC)c1ccccc1 ZINC000736331747 598737214 /nfs/dbraw/zinc/73/72/14/598737214.db2.gz KJAZBUCFILMFSF-CYBMUJFWSA-N -1 3 351.410 3.398 20 0 FGADHM CC[C@H](CC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC)c1ccccc1 ZINC000736331747 598737216 /nfs/dbraw/zinc/73/72/16/598737216.db2.gz KJAZBUCFILMFSF-CYBMUJFWSA-N -1 3 351.410 3.398 20 0 FGADHM Fc1ccc(CN2CCO[C@H](c3ccccc3Cl)C2)c(-c2nnn[n-]2)c1 ZINC000737651223 598765428 /nfs/dbraw/zinc/76/54/28/598765428.db2.gz UXYAFKJHEQSDSK-KRWDZBQOSA-N -1 3 373.819 3.233 20 0 FGADHM Fc1ccc(CN2CCO[C@H](c3ccccc3Cl)C2)c(-c2nn[n-]n2)c1 ZINC000737651223 598765430 /nfs/dbraw/zinc/76/54/30/598765430.db2.gz UXYAFKJHEQSDSK-KRWDZBQOSA-N -1 3 373.819 3.233 20 0 FGADHM Fc1cc(F)c2ncc(-c3nnn[n-]3)c(NC[C@@H]3CC3(Cl)Cl)c2c1 ZINC000737643264 598770463 /nfs/dbraw/zinc/77/04/63/598770463.db2.gz DTBIFVMEVKMLLX-LURJTMIESA-N -1 3 371.178 3.299 20 0 FGADHM Fc1cc(F)c2ncc(-c3nn[n-]n3)c(NC[C@@H]3CC3(Cl)Cl)c2c1 ZINC000737643264 598770465 /nfs/dbraw/zinc/77/04/65/598770465.db2.gz DTBIFVMEVKMLLX-LURJTMIESA-N -1 3 371.178 3.299 20 0 FGADHM CC(C)[C@H]1CCC[C@@H](NC(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000735747211 598782875 /nfs/dbraw/zinc/78/28/75/598782875.db2.gz QIHXUOSFVBFWPR-DLBZAZTESA-N -1 3 356.474 3.223 20 0 FGADHM CC(C)[C@H]1CCC[C@@H](NC(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000735747211 598782877 /nfs/dbraw/zinc/78/28/77/598782877.db2.gz QIHXUOSFVBFWPR-DLBZAZTESA-N -1 3 356.474 3.223 20 0 FGADHM Cc1cc(Nc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)ncn1 ZINC000737280540 598785725 /nfs/dbraw/zinc/78/57/25/598785725.db2.gz LXTKIXZDRDBUFG-UHFFFAOYSA-N -1 3 359.393 3.288 20 0 FGADHM Cc1cc(Nc2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)ncn1 ZINC000737280540 598785727 /nfs/dbraw/zinc/78/57/27/598785727.db2.gz LXTKIXZDRDBUFG-UHFFFAOYSA-N -1 3 359.393 3.288 20 0 FGADHM C[C@@H]1Cc2ccccc2N(C(=S)Nc2ccccc2-c2nnn[n-]2)C1 ZINC000736297523 598788838 /nfs/dbraw/zinc/78/88/38/598788838.db2.gz NGVRMELQHJZJEN-GFCCVEGCSA-N -1 3 350.451 3.262 20 0 FGADHM C[C@@H]1Cc2ccccc2N(C(=S)Nc2ccccc2-c2nn[n-]n2)C1 ZINC000736297523 598788840 /nfs/dbraw/zinc/78/88/40/598788840.db2.gz NGVRMELQHJZJEN-GFCCVEGCSA-N -1 3 350.451 3.262 20 0 FGADHM Cc1ccc2oc(C(=O)N(Cc3ccc(-c4nnn[n-]4)cc3)C3CC3)cc2n1 ZINC000737373592 598790544 /nfs/dbraw/zinc/79/05/44/598790544.db2.gz INTXSVQZMFDKON-UHFFFAOYSA-N -1 3 374.404 3.121 20 0 FGADHM Cc1ccc2oc(C(=O)N(Cc3ccc(-c4nn[n-]n4)cc3)C3CC3)cc2n1 ZINC000737373592 598790545 /nfs/dbraw/zinc/79/05/45/598790545.db2.gz INTXSVQZMFDKON-UHFFFAOYSA-N -1 3 374.404 3.121 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cn1)c1sc2ccccc2c1Cl ZINC000738151732 598805491 /nfs/dbraw/zinc/80/54/91/598805491.db2.gz WQEQHEXSKYMOQR-UHFFFAOYSA-N -1 3 356.798 3.382 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cn1)c1sc2ccccc2c1Cl ZINC000738151732 598805493 /nfs/dbraw/zinc/80/54/93/598805493.db2.gz WQEQHEXSKYMOQR-UHFFFAOYSA-N -1 3 356.798 3.382 20 0 FGADHM O=C(Cc1ccc(-c2ccccc2)cc1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000737954491 598806270 /nfs/dbraw/zinc/80/62/70/598806270.db2.gz NMNOXUAVBYNQNN-UHFFFAOYSA-N -1 3 356.389 3.110 20 0 FGADHM O=C(Cc1ccc(-c2ccccc2)cc1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000737954491 598806272 /nfs/dbraw/zinc/80/62/72/598806272.db2.gz NMNOXUAVBYNQNN-UHFFFAOYSA-N -1 3 356.389 3.110 20 0 FGADHM C[C@H](CC(=O)Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000735978805 598808384 /nfs/dbraw/zinc/80/83/84/598808384.db2.gz ZULGKJCTZCHMID-CQSZACIVSA-N -1 3 373.420 3.185 20 0 FGADHM O=C(NC[C@@H]1CC=CCC1)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000823175135 599292684 /nfs/dbraw/zinc/29/26/84/599292684.db2.gz AWVUWNZCMOESLM-SNVBAGLBSA-N -1 3 366.347 3.363 20 0 FGADHM O=C(NC[C@@H]1CC=CCC1)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823175135 599292685 /nfs/dbraw/zinc/29/26/85/599292685.db2.gz AWVUWNZCMOESLM-SNVBAGLBSA-N -1 3 366.347 3.363 20 0 FGADHM CC(C)c1cc(NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)no1 ZINC000820187740 599293677 /nfs/dbraw/zinc/29/36/77/599293677.db2.gz PAZGYRWFLFTZAZ-UHFFFAOYSA-N -1 3 369.429 3.421 20 0 FGADHM CC(C)c1cc(NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)no1 ZINC000820187740 599293678 /nfs/dbraw/zinc/29/36/78/599293678.db2.gz PAZGYRWFLFTZAZ-UHFFFAOYSA-N -1 3 369.429 3.421 20 0 FGADHM C[C@@H]1SCCN(C(=O)c2cccc(-c3nnn[n-]3)c2)[C@@H]1c1ccccc1 ZINC000736303751 599303312 /nfs/dbraw/zinc/30/33/12/599303312.db2.gz SNQXRQGTKNKHKC-GUYCJALGSA-N -1 3 365.462 3.186 20 0 FGADHM C[C@@H]1SCCN(C(=O)c2cccc(-c3nn[n-]n3)c2)[C@@H]1c1ccccc1 ZINC000736303751 599303316 /nfs/dbraw/zinc/30/33/16/599303316.db2.gz SNQXRQGTKNKHKC-GUYCJALGSA-N -1 3 365.462 3.186 20 0 FGADHM CC[C@@H](C)c1ccccc1OCC(=O)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736330803 599304129 /nfs/dbraw/zinc/30/41/29/599304129.db2.gz ZETDUCAVKHVNGG-CQSZACIVSA-N -1 3 365.437 3.422 20 0 FGADHM CC[C@@H](C)c1ccccc1OCC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736330803 599304132 /nfs/dbraw/zinc/30/41/32/599304132.db2.gz ZETDUCAVKHVNGG-CQSZACIVSA-N -1 3 365.437 3.422 20 0 FGADHM Cc1ccc(-c2nc(C(=O)N(C)c3ccc(-c4nnn[n-]4)cc3)cs2)o1 ZINC000737288072 599306148 /nfs/dbraw/zinc/30/61/48/599306148.db2.gz LQIOKXHKXPKABN-UHFFFAOYSA-N -1 3 366.406 3.168 20 0 FGADHM Cc1ccc(-c2nc(C(=O)N(C)c3ccc(-c4nn[n-]n4)cc3)cs2)o1 ZINC000737288072 599306150 /nfs/dbraw/zinc/30/61/50/599306150.db2.gz LQIOKXHKXPKABN-UHFFFAOYSA-N -1 3 366.406 3.168 20 0 FGADHM C[C@@H]1CCc2sc(C(=O)N(C)c3ccc(-c4nnn[n-]4)cc3)cc2C1 ZINC000736278230 599308418 /nfs/dbraw/zinc/30/84/18/599308418.db2.gz FVLOEWIBZMLQHY-LLVKDONJSA-N -1 3 353.451 3.330 20 0 FGADHM C[C@@H]1CCc2sc(C(=O)N(C)c3ccc(-c4nn[n-]n4)cc3)cc2C1 ZINC000736278230 599308421 /nfs/dbraw/zinc/30/84/21/599308421.db2.gz FVLOEWIBZMLQHY-LLVKDONJSA-N -1 3 353.451 3.330 20 0 FGADHM CCN(C(=O)c1cc(Cl)ccc1OC)c1ccc(-c2nnn[n-]2)cc1 ZINC000736505787 599308922 /nfs/dbraw/zinc/30/89/22/599308922.db2.gz NHBDKAKVVQGXNZ-UHFFFAOYSA-N -1 3 357.801 3.195 20 0 FGADHM CCN(C(=O)c1cc(Cl)ccc1OC)c1ccc(-c2nn[n-]n2)cc1 ZINC000736505787 599308925 /nfs/dbraw/zinc/30/89/25/599308925.db2.gz NHBDKAKVVQGXNZ-UHFFFAOYSA-N -1 3 357.801 3.195 20 0 FGADHM C[C@H](NC(=O)[C@@H]1C[C@]12CCCc1ccccc12)c1ccc(-c2nnn[n-]2)cc1 ZINC000820321610 599311132 /nfs/dbraw/zinc/31/11/32/599311132.db2.gz JLDUOEVHVDSQRL-DVXDUOKCSA-N -1 3 373.460 3.338 20 0 FGADHM C[C@H](NC(=O)[C@@H]1C[C@]12CCCc1ccccc12)c1ccc(-c2nn[n-]n2)cc1 ZINC000820321610 599311134 /nfs/dbraw/zinc/31/11/34/599311134.db2.gz JLDUOEVHVDSQRL-DVXDUOKCSA-N -1 3 373.460 3.338 20 0 FGADHM CCN(C(=O)CCCOc1cccc(C)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736505898 599311818 /nfs/dbraw/zinc/31/18/18/599311818.db2.gz UIXNAJDIQDNPED-UHFFFAOYSA-N -1 3 365.437 3.387 20 0 FGADHM CCN(C(=O)CCCOc1cccc(C)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736505898 599311821 /nfs/dbraw/zinc/31/18/21/599311821.db2.gz UIXNAJDIQDNPED-UHFFFAOYSA-N -1 3 365.437 3.387 20 0 FGADHM CCN(C(=O)c1cnn(-c2ccccc2)c1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736508049 599313114 /nfs/dbraw/zinc/31/31/14/599313114.db2.gz IPAYHOJXGMQUET-UHFFFAOYSA-N -1 3 373.420 3.028 20 0 FGADHM CCN(C(=O)c1cnn(-c2ccccc2)c1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736508049 599313117 /nfs/dbraw/zinc/31/31/17/599313117.db2.gz IPAYHOJXGMQUET-UHFFFAOYSA-N -1 3 373.420 3.028 20 0 FGADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000821608502 599314017 /nfs/dbraw/zinc/31/40/17/599314017.db2.gz KEHCTLQPTCUSCF-SIKLNZKXSA-N -1 3 373.460 3.119 20 0 FGADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000821608502 599314019 /nfs/dbraw/zinc/31/40/19/599314019.db2.gz KEHCTLQPTCUSCF-SIKLNZKXSA-N -1 3 373.460 3.119 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1CSCc1cccc(NC(C)=O)c1 ZINC000821752163 607368406 /nfs/dbraw/zinc/36/84/06/607368406.db2.gz HIKPMWPICRUCFJ-UHFFFAOYSA-N -1 3 369.450 3.267 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1CSCc1cccc(NC(C)=O)c1 ZINC000821752163 607368408 /nfs/dbraw/zinc/36/84/08/607368408.db2.gz HIKPMWPICRUCFJ-UHFFFAOYSA-N -1 3 369.450 3.267 20 0 FGADHM CC(C)COc1ccccc1NCCOc1cccc(-c2nnn[n-]2)c1 ZINC000735844094 599328043 /nfs/dbraw/zinc/32/80/43/599328043.db2.gz HNXGIZKICWBBAV-UHFFFAOYSA-N -1 3 353.426 3.392 20 0 FGADHM CC(C)COc1ccccc1NCCOc1cccc(-c2nn[n-]n2)c1 ZINC000735844094 599328045 /nfs/dbraw/zinc/32/80/45/599328045.db2.gz HNXGIZKICWBBAV-UHFFFAOYSA-N -1 3 353.426 3.392 20 0 FGADHM C[C@H](SCC(=O)NC1CCCCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736187934 599328087 /nfs/dbraw/zinc/32/80/87/599328087.db2.gz DGYIKOVZUIVVPV-ZDUSSCGKSA-N -1 3 359.499 3.500 20 0 FGADHM C[C@H](SCC(=O)NC1CCCCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736187934 599328089 /nfs/dbraw/zinc/32/80/89/599328089.db2.gz DGYIKOVZUIVVPV-ZDUSSCGKSA-N -1 3 359.499 3.500 20 0 FGADHM C[C@@H](S[C@@H](C)C(=O)N1CCCCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736187920 599329547 /nfs/dbraw/zinc/32/95/47/599329547.db2.gz DERVYXPHJRVGIP-KGLIPLIRSA-N -1 3 359.499 3.452 20 0 FGADHM C[C@@H](S[C@@H](C)C(=O)N1CCCCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736187920 599329550 /nfs/dbraw/zinc/32/95/50/599329550.db2.gz DERVYXPHJRVGIP-KGLIPLIRSA-N -1 3 359.499 3.452 20 0 FGADHM FC(F)(F)Cc1cccc(NCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737628000 599333792 /nfs/dbraw/zinc/33/37/92/599333792.db2.gz SUTZOAJUIPHXAB-UHFFFAOYSA-N -1 3 363.343 3.462 20 0 FGADHM FC(F)(F)Cc1cccc(NCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737628000 599333795 /nfs/dbraw/zinc/33/37/95/599333795.db2.gz SUTZOAJUIPHXAB-UHFFFAOYSA-N -1 3 363.343 3.462 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)c1ccccc1OC1CCC1 ZINC000738236084 599337048 /nfs/dbraw/zinc/33/70/48/599337048.db2.gz RYFXZOHSJJZWMF-UHFFFAOYSA-N -1 3 368.368 3.294 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)c1ccccc1OC1CCC1 ZINC000738236084 599337049 /nfs/dbraw/zinc/33/70/49/599337049.db2.gz RYFXZOHSJJZWMF-UHFFFAOYSA-N -1 3 368.368 3.294 20 0 FGADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1OC1CCC1 ZINC000738229936 599337207 /nfs/dbraw/zinc/33/72/07/599337207.db2.gz BVDXERJZZQLYLL-UHFFFAOYSA-N -1 3 368.368 3.294 20 0 FGADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1OC1CCC1 ZINC000738229936 599337209 /nfs/dbraw/zinc/33/72/09/599337209.db2.gz BVDXERJZZQLYLL-UHFFFAOYSA-N -1 3 368.368 3.294 20 0 FGADHM CC(C)[C@H](Sc1ccccc1-c1nnn[n-]1)C(=O)N1CCCC[C@H]1C ZINC000820031188 599349221 /nfs/dbraw/zinc/34/92/21/599349221.db2.gz BJLQIVZJUHFJAD-CJNGLKHVSA-N -1 3 359.499 3.384 20 0 FGADHM CC(C)[C@H](Sc1ccccc1-c1nn[n-]n1)C(=O)N1CCCC[C@H]1C ZINC000820031188 599349222 /nfs/dbraw/zinc/34/92/22/599349222.db2.gz BJLQIVZJUHFJAD-CJNGLKHVSA-N -1 3 359.499 3.384 20 0 FGADHM C[C@H]1CCc2ccccc2N1C(=O)CSc1ccccc1-c1nnn[n-]1 ZINC000820733673 599349871 /nfs/dbraw/zinc/34/98/71/599349871.db2.gz IAKKISILQPFRJF-ZDUSSCGKSA-N -1 3 365.462 3.327 20 0 FGADHM C[C@H]1CCc2ccccc2N1C(=O)CSc1ccccc1-c1nn[n-]n1 ZINC000820733673 599349873 /nfs/dbraw/zinc/34/98/73/599349873.db2.gz IAKKISILQPFRJF-ZDUSSCGKSA-N -1 3 365.462 3.327 20 0 FGADHM Cn1cc(-c2nc(CSc3ccccc3-c3nnn[n-]3)cs2)cn1 ZINC000822604534 599350690 /nfs/dbraw/zinc/35/06/90/599350690.db2.gz GWGJKNFFFDLOSL-UHFFFAOYSA-N -1 3 355.452 3.016 20 0 FGADHM Cn1cc(-c2nc(CSc3ccccc3-c3nn[n-]n3)cs2)cn1 ZINC000822604534 599350693 /nfs/dbraw/zinc/35/06/93/599350693.db2.gz GWGJKNFFFDLOSL-UHFFFAOYSA-N -1 3 355.452 3.016 20 0 FGADHM CN(C)c1cc(CNc2ccc(-c3nn[n-]n3)cc2F)c2ccccc2n1 ZINC000821588380 599360569 /nfs/dbraw/zinc/36/05/69/599360569.db2.gz PJNPPEQOPAEIBE-UHFFFAOYSA-N -1 3 363.400 3.232 20 0 FGADHM Brc1ccc(N2CCc3ccccc3C2)c(-c2nnn[n-]2)c1 ZINC000735368359 599361672 /nfs/dbraw/zinc/36/16/72/599361672.db2.gz KRVRKRYICWOQQR-UHFFFAOYSA-N -1 3 356.227 3.192 20 0 FGADHM Brc1ccc(N2CCc3ccccc3C2)c(-c2nn[n-]n2)c1 ZINC000735368359 599361674 /nfs/dbraw/zinc/36/16/74/599361674.db2.gz KRVRKRYICWOQQR-UHFFFAOYSA-N -1 3 356.227 3.192 20 0 FGADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCC2)c1ccc(Cl)cn1 ZINC000738206117 599370999 /nfs/dbraw/zinc/37/09/99/599370999.db2.gz CNXRVRCVPQHQGT-UHFFFAOYSA-N -1 3 360.830 3.108 20 0 FGADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCC2)c1ccc(Cl)cn1 ZINC000738206117 599371002 /nfs/dbraw/zinc/37/10/02/599371002.db2.gz CNXRVRCVPQHQGT-UHFFFAOYSA-N -1 3 360.830 3.108 20 0 FGADHM CSCCCC(=O)N(Cc1ccco1)c1ccccc1-c1nnn[n-]1 ZINC000737184254 599372912 /nfs/dbraw/zinc/37/29/12/599372912.db2.gz WBXMGSKKBFTKAW-UHFFFAOYSA-N -1 3 357.439 3.136 20 0 FGADHM CSCCCC(=O)N(Cc1ccco1)c1ccccc1-c1nn[n-]n1 ZINC000737184254 599372914 /nfs/dbraw/zinc/37/29/14/599372914.db2.gz WBXMGSKKBFTKAW-UHFFFAOYSA-N -1 3 357.439 3.136 20 0 FGADHM Cc1ccc(C)c(OCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)c1C ZINC000822232226 599383502 /nfs/dbraw/zinc/38/35/02/599383502.db2.gz XVMJFDGSLNTQKO-UHFFFAOYSA-N -1 3 362.393 3.421 20 0 FGADHM Cc1ccc(C)c(OCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)c1C ZINC000822232226 599383504 /nfs/dbraw/zinc/38/35/04/599383504.db2.gz XVMJFDGSLNTQKO-UHFFFAOYSA-N -1 3 362.393 3.421 20 0 FGADHM CC[C@@H](CC1CCCC1)C(=O)OCC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825113796 607373424 /nfs/dbraw/zinc/37/34/24/607373424.db2.gz GHSPIXKMZMGCGY-AWEZNQCLSA-N -1 3 356.426 3.199 20 0 FGADHM CC[C@@H](CC1CCCC1)C(=O)OCC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825113796 607373425 /nfs/dbraw/zinc/37/34/25/607373425.db2.gz GHSPIXKMZMGCGY-AWEZNQCLSA-N -1 3 356.426 3.199 20 0 FGADHM CC(C)[C@@H](NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F)c1ccccc1 ZINC000820028470 599401267 /nfs/dbraw/zinc/40/12/67/599401267.db2.gz ZUFWLZCZNPKTAI-QGZVFWFLSA-N -1 3 368.416 3.202 20 0 FGADHM CC(C)[C@@H](NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F)c1ccccc1 ZINC000820028470 599401268 /nfs/dbraw/zinc/40/12/68/599401268.db2.gz ZUFWLZCZNPKTAI-QGZVFWFLSA-N -1 3 368.416 3.202 20 0 FGADHM O[C@@H](CNc1cc(-c2nnn[n-]2)c2ccccc2n1)c1cccc(Cl)c1 ZINC000738382033 599408177 /nfs/dbraw/zinc/40/81/77/599408177.db2.gz JOQZPQLSYRTCBJ-INIZCTEOSA-N -1 3 366.812 3.214 20 0 FGADHM O[C@@H](CNc1cc(-c2nn[n-]n2)c2ccccc2n1)c1cccc(Cl)c1 ZINC000738382033 599408182 /nfs/dbraw/zinc/40/81/82/599408182.db2.gz JOQZPQLSYRTCBJ-INIZCTEOSA-N -1 3 366.812 3.214 20 0 FGADHM Cc1ccc([C@@H](C)NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822229039 599412837 /nfs/dbraw/zinc/41/28/37/599412837.db2.gz KWITXYMUAPLALZ-KGLIPLIRSA-N -1 3 350.426 3.297 20 0 FGADHM Cc1ccc([C@@H](C)NC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822229039 599412841 /nfs/dbraw/zinc/41/28/41/599412841.db2.gz KWITXYMUAPLALZ-KGLIPLIRSA-N -1 3 350.426 3.297 20 0 FGADHM Cc1cccc2nc(CNc3ccc(OC(C)C)c(-c4nnn[n-]4)c3)cn21 ZINC000822340867 607375381 /nfs/dbraw/zinc/37/53/81/607375381.db2.gz KZBLRDRKJVKJMD-UHFFFAOYSA-N -1 3 363.425 3.222 20 0 FGADHM Cc1cccc2nc(CNc3ccc(OC(C)C)c(-c4nn[n-]n4)c3)cn21 ZINC000822340867 607375383 /nfs/dbraw/zinc/37/53/83/607375383.db2.gz KZBLRDRKJVKJMD-UHFFFAOYSA-N -1 3 363.425 3.222 20 0 FGADHM CC(C)[C@@H](C(=O)OCC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000824185063 607375746 /nfs/dbraw/zinc/37/57/46/607375746.db2.gz QGNLCOHRJNLPNN-GOSISDBHSA-N -1 3 364.405 3.032 20 0 FGADHM CC(C)[C@@H](C(=O)OCC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000824185063 607375748 /nfs/dbraw/zinc/37/57/48/607375748.db2.gz QGNLCOHRJNLPNN-GOSISDBHSA-N -1 3 364.405 3.032 20 0 FGADHM CCc1nccn1[C@H]1CCCN(c2cc(-c3nnn[n-]3)c3ccccc3n2)C1 ZINC000736704728 599431771 /nfs/dbraw/zinc/43/17/71/599431771.db2.gz BTDGITYHXLHDNY-AWEZNQCLSA-N -1 3 374.452 3.015 20 0 FGADHM CCc1nccn1[C@H]1CCCN(c2cc(-c3nn[n-]n3)c3ccccc3n2)C1 ZINC000736704728 599431773 /nfs/dbraw/zinc/43/17/73/599431773.db2.gz BTDGITYHXLHDNY-AWEZNQCLSA-N -1 3 374.452 3.015 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1CSc1nnc(-c2ccoc2C)o1 ZINC000821752696 607378062 /nfs/dbraw/zinc/37/80/62/607378062.db2.gz RNIXXVKVJJIDMV-UHFFFAOYSA-N -1 3 370.394 3.119 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1CSc1nnc(-c2ccoc2C)o1 ZINC000821752696 607378064 /nfs/dbraw/zinc/37/80/64/607378064.db2.gz RNIXXVKVJJIDMV-UHFFFAOYSA-N -1 3 370.394 3.119 20 0 FGADHM C[C@H](NC(=O)N[C@@H]1c2ccccc2C[C@H]1C)c1cccc(-c2nnn[n-]2)c1 ZINC000820359600 599438097 /nfs/dbraw/zinc/43/80/97/599438097.db2.gz TVYLOPQGIUXPSB-VBHSOAQHSA-N -1 3 362.437 3.160 20 0 FGADHM C[C@H](NC(=O)N[C@@H]1c2ccccc2C[C@H]1C)c1cccc(-c2nn[n-]n2)c1 ZINC000820359600 599438099 /nfs/dbraw/zinc/43/80/99/599438099.db2.gz TVYLOPQGIUXPSB-VBHSOAQHSA-N -1 3 362.437 3.160 20 0 FGADHM c1cc(-c2nnn[n-]2)oc1CNCc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000823792016 599440300 /nfs/dbraw/zinc/44/03/00/599440300.db2.gz MVZKPPCSQHWPBN-UHFFFAOYSA-N -1 3 371.404 3.293 20 0 FGADHM CC(=O)N(Cc1ccc(Nc2cccc(F)c2-c2nnn[n-]2)cc1)C1CC1 ZINC000735460215 599440643 /nfs/dbraw/zinc/44/06/43/599440643.db2.gz DVBQUFRQPYRKSU-UHFFFAOYSA-N -1 3 366.400 3.260 20 0 FGADHM CC(=O)N(Cc1ccc(Nc2cccc(F)c2-c2nn[n-]n2)cc1)C1CC1 ZINC000735460215 599440645 /nfs/dbraw/zinc/44/06/45/599440645.db2.gz DVBQUFRQPYRKSU-UHFFFAOYSA-N -1 3 366.400 3.260 20 0 FGADHM C[C@H](COC(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1)C(F)(F)F ZINC000824442153 607379484 /nfs/dbraw/zinc/37/94/84/607379484.db2.gz VBOYUWNVSPKRTA-ZCFIWIBFSA-N -1 3 368.237 3.241 20 0 FGADHM C[C@H](COC(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1)C(F)(F)F ZINC000824442153 607379486 /nfs/dbraw/zinc/37/94/86/607379486.db2.gz VBOYUWNVSPKRTA-ZCFIWIBFSA-N -1 3 368.237 3.241 20 0 FGADHM CCc1ccc(CCNC(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736681515 599453804 /nfs/dbraw/zinc/45/38/04/599453804.db2.gz ABNZDHWXNQXCCC-AWEZNQCLSA-N -1 3 364.453 3.032 20 0 FGADHM CCc1ccc(CCNC(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736681515 599453806 /nfs/dbraw/zinc/45/38/06/599453806.db2.gz ABNZDHWXNQXCCC-AWEZNQCLSA-N -1 3 364.453 3.032 20 0 FGADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)N1CCC[C@@H]1c1ccccc1 ZINC000823234798 599459913 /nfs/dbraw/zinc/45/99/13/599459913.db2.gz OFIKPIFGDLDDQV-QGZVFWFLSA-N -1 3 366.400 3.053 20 0 FGADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)N1CCC[C@@H]1c1ccccc1 ZINC000823234798 599459915 /nfs/dbraw/zinc/45/99/15/599459915.db2.gz OFIKPIFGDLDDQV-QGZVFWFLSA-N -1 3 366.400 3.053 20 0 FGADHM CCC(=O)c1ccc(OCc2cc(-c3nn[n-]n3)ccc2OC)c(F)c1 ZINC000820843446 607380467 /nfs/dbraw/zinc/38/04/67/607380467.db2.gz ZMWNXCNNFJGUDC-UHFFFAOYSA-N -1 3 356.357 3.186 20 0 FGADHM CC1CCN(c2ccc(CNc3ccc(F)cc3-c3nnn[n-]3)cn2)CC1 ZINC000820727211 599480182 /nfs/dbraw/zinc/48/01/82/599480182.db2.gz IXKLOZATJVHYLP-UHFFFAOYSA-N -1 3 367.432 3.249 20 0 FGADHM CC1CCN(c2ccc(CNc3ccc(F)cc3-c3nn[n-]n3)cn2)CC1 ZINC000820727211 599480184 /nfs/dbraw/zinc/48/01/84/599480184.db2.gz IXKLOZATJVHYLP-UHFFFAOYSA-N -1 3 367.432 3.249 20 0 FGADHM C[C@@H](NC(=O)N1CCC[C@@H]1C1CCCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820348165 599483252 /nfs/dbraw/zinc/48/32/52/599483252.db2.gz APLFZDKKMFBFNY-CXAGYDPISA-N -1 3 354.458 3.292 20 0 FGADHM C[C@@H](NC(=O)N1CCC[C@@H]1C1CCCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820348165 599483254 /nfs/dbraw/zinc/48/32/54/599483254.db2.gz APLFZDKKMFBFNY-CXAGYDPISA-N -1 3 354.458 3.292 20 0 FGADHM Fc1ccc(CNc2c(-c3nnn[n-]3)cnc3c(F)ccc(F)c32)c(F)c1 ZINC000822772008 599504113 /nfs/dbraw/zinc/50/41/13/599504113.db2.gz OVOZCAYUBKQETE-UHFFFAOYSA-N -1 3 374.301 3.005 20 0 FGADHM Fc1ccc(CNc2c(-c3nn[n-]n3)cnc3c(F)ccc(F)c32)c(F)c1 ZINC000822772008 599504116 /nfs/dbraw/zinc/50/41/16/599504116.db2.gz OVOZCAYUBKQETE-UHFFFAOYSA-N -1 3 374.301 3.005 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N[C@@H](Cc1ccccc1)C1CC1 ZINC000738166720 599505736 /nfs/dbraw/zinc/50/57/36/599505736.db2.gz MGWLGXATPXYPCP-KRWDZBQOSA-N -1 3 366.400 3.149 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N[C@@H](Cc1ccccc1)C1CC1 ZINC000738166720 599505738 /nfs/dbraw/zinc/50/57/38/599505738.db2.gz MGWLGXATPXYPCP-KRWDZBQOSA-N -1 3 366.400 3.149 20 0 FGADHM CCn1cc(C2CCN(c3c(-c4nnn[n-]4)cnc4ccccc43)CC2)cn1 ZINC000821565469 599511393 /nfs/dbraw/zinc/51/13/93/599511393.db2.gz UPNGQIIAOVBEFH-UHFFFAOYSA-N -1 3 374.452 3.015 20 0 FGADHM CCn1cc(C2CCN(c3c(-c4nn[n-]n4)cnc4ccccc43)CC2)cn1 ZINC000821565469 599511396 /nfs/dbraw/zinc/51/13/96/599511396.db2.gz UPNGQIIAOVBEFH-UHFFFAOYSA-N -1 3 374.452 3.015 20 0 FGADHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1NC[C@H]1CC1(Cl)Cl ZINC000737625505 599519388 /nfs/dbraw/zinc/51/93/88/599519388.db2.gz AZUBWVQRBCVNST-SSDOTTSWSA-N -1 3 352.147 3.491 20 0 FGADHM CC(C)(C)SCCNc1c(-c2nnn[n-]2)cnc2c(F)ccc(F)c21 ZINC000819951885 599520804 /nfs/dbraw/zinc/52/08/04/599520804.db2.gz ZNWQPFKRGBTKPC-UHFFFAOYSA-N -1 3 364.425 3.059 20 0 FGADHM CC(C)(C)SCCNc1c(-c2nn[n-]n2)cnc2c(F)ccc(F)c21 ZINC000819951885 599520807 /nfs/dbraw/zinc/52/08/07/599520807.db2.gz ZNWQPFKRGBTKPC-UHFFFAOYSA-N -1 3 364.425 3.059 20 0 FGADHM O[C@H](CNc1ccc(-c2nn[n-]n2)cc1C(F)(F)F)c1ccc(F)cc1 ZINC000738383695 599521568 /nfs/dbraw/zinc/52/15/68/599521568.db2.gz PHJODUPYUCUBGS-CQSZACIVSA-N -1 3 367.306 3.170 20 0 FGADHM CCOC(=O)c1sc(NC(=O)CCC(C)(C)C)c(-c2nnn[n-]2)c1C ZINC000736606318 599539101 /nfs/dbraw/zinc/53/91/01/599539101.db2.gz ZKPDDTRCEADUNI-UHFFFAOYSA-N -1 3 365.459 3.178 20 0 FGADHM CCOC(=O)c1sc(NC(=O)CCC(C)(C)C)c(-c2nn[n-]n2)c1C ZINC000736606318 599539104 /nfs/dbraw/zinc/53/91/04/599539104.db2.gz ZKPDDTRCEADUNI-UHFFFAOYSA-N -1 3 365.459 3.178 20 0 FGADHM C[C@@H](NC(=O)c1ccccc1C(F)(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000820397913 599541831 /nfs/dbraw/zinc/54/18/31/599541831.db2.gz WTXQUSGZUBGPBC-SNVBAGLBSA-N -1 3 361.327 3.377 20 0 FGADHM C[C@@H](NC(=O)c1ccccc1C(F)(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000820397913 599541832 /nfs/dbraw/zinc/54/18/32/599541832.db2.gz WTXQUSGZUBGPBC-SNVBAGLBSA-N -1 3 361.327 3.377 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H](C)c1cccs1 ZINC000736481210 599542321 /nfs/dbraw/zinc/54/23/21/599542321.db2.gz XCFKCMNSPKUBTA-ZDUSSCGKSA-N -1 3 355.467 3.471 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@H](C)c1cccs1 ZINC000736481210 599542323 /nfs/dbraw/zinc/54/23/23/599542323.db2.gz XCFKCMNSPKUBTA-ZDUSSCGKSA-N -1 3 355.467 3.471 20 0 FGADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)[C@H](C)Cc2ccccc2F)s1 ZINC000736679204 599544066 /nfs/dbraw/zinc/54/40/66/599544066.db2.gz OBEPQPYQWXAYEH-SNVBAGLBSA-N -1 3 359.430 3.447 20 0 FGADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)[C@H](C)Cc2ccccc2F)s1 ZINC000736679204 599544067 /nfs/dbraw/zinc/54/40/67/599544067.db2.gz OBEPQPYQWXAYEH-SNVBAGLBSA-N -1 3 359.430 3.447 20 0 FGADHM O[C@@H](CNc1ccc(F)cc1-c1nnn[n-]1)c1cccc(C(F)(F)F)c1 ZINC000823690326 599545664 /nfs/dbraw/zinc/54/56/64/599545664.db2.gz NIMPKXIQOWRWIZ-AWEZNQCLSA-N -1 3 367.306 3.170 20 0 FGADHM O[C@@H](CNc1ccc(F)cc1-c1nn[n-]n1)c1cccc(C(F)(F)F)c1 ZINC000823690326 599545665 /nfs/dbraw/zinc/54/56/65/599545665.db2.gz NIMPKXIQOWRWIZ-AWEZNQCLSA-N -1 3 367.306 3.170 20 0 FGADHM C[C@@H]1CCN(C(=O)C=Cc2ccccc2-c2nnn[n-]2)[C@@H](c2ccco2)C1 ZINC000820715343 599549728 /nfs/dbraw/zinc/54/97/28/599549728.db2.gz AMKBKWYBMRPWTE-QETWALASSA-N -1 3 363.421 3.473 20 0 FGADHM C[C@@H]1CCN(C(=O)C=Cc2ccccc2-c2nn[n-]n2)[C@@H](c2ccco2)C1 ZINC000820715343 599549729 /nfs/dbraw/zinc/54/97/29/599549729.db2.gz AMKBKWYBMRPWTE-QETWALASSA-N -1 3 363.421 3.473 20 0 FGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N1CC[C@@H]1c1ccc(Cl)cc1 ZINC000823359820 599554201 /nfs/dbraw/zinc/55/42/01/599554201.db2.gz SVLWUNJJWASDFG-OAHLLOKOSA-N -1 3 354.801 3.499 20 0 FGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N1CC[C@@H]1c1ccc(Cl)cc1 ZINC000823359820 599554203 /nfs/dbraw/zinc/55/42/03/599554203.db2.gz SVLWUNJJWASDFG-OAHLLOKOSA-N -1 3 354.801 3.499 20 0 FGADHM C[C@](O)(CNc1c(Cl)cccc1-c1nnn[n-]1)c1ccc(F)cc1F ZINC000820469279 599557088 /nfs/dbraw/zinc/55/70/88/599557088.db2.gz ZMAFWABMNJZYQW-INIZCTEOSA-N -1 3 365.771 3.118 20 0 FGADHM C[C@](O)(CNc1c(Cl)cccc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC000820469279 599557089 /nfs/dbraw/zinc/55/70/89/599557089.db2.gz ZMAFWABMNJZYQW-INIZCTEOSA-N -1 3 365.771 3.118 20 0 FGADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(N2CC[C@H](Cc3ccccc3)C2)n1 ZINC000822723842 599580621 /nfs/dbraw/zinc/58/06/21/599580621.db2.gz QPVNKARCYUBWHZ-CYBMUJFWSA-N -1 3 374.370 3.350 20 0 FGADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(N2CC[C@H](Cc3ccccc3)C2)n1 ZINC000822723842 599580624 /nfs/dbraw/zinc/58/06/24/599580624.db2.gz QPVNKARCYUBWHZ-CYBMUJFWSA-N -1 3 374.370 3.350 20 0 FGADHM C[C@@H](SCCCOc1ccc(-c2nn[n-]n2)cc1)C(=O)OC(C)(C)C ZINC000736189243 599598475 /nfs/dbraw/zinc/59/84/75/599598475.db2.gz ORLUQZGMZYBZIJ-GFCCVEGCSA-N -1 3 364.471 3.099 20 0 FGADHM Cc1cccc(C)c1CSCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000737391506 599598858 /nfs/dbraw/zinc/59/88/58/599598858.db2.gz ZRLSDBWTMQFMCK-UHFFFAOYSA-N -1 3 353.451 3.355 20 0 FGADHM Cc1cccc(C)c1CSCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000737391506 599598860 /nfs/dbraw/zinc/59/88/60/599598860.db2.gz ZRLSDBWTMQFMCK-UHFFFAOYSA-N -1 3 353.451 3.355 20 0 FGADHM Cc1ccc(C[C@H](C)NC(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)s1 ZINC000737334435 599603249 /nfs/dbraw/zinc/60/32/49/599603249.db2.gz HKFPVVFQFOUAHB-LBPRGKRZSA-N -1 3 370.482 3.009 20 0 FGADHM Cc1ccc(C[C@H](C)NC(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)s1 ZINC000737334435 599603252 /nfs/dbraw/zinc/60/32/52/599603252.db2.gz HKFPVVFQFOUAHB-LBPRGKRZSA-N -1 3 370.482 3.009 20 0 FGADHM O=C(CC/C=C/c1ccccc1)OCCOc1cccc(-c2nnn[n-]2)c1 ZINC000737824332 599606201 /nfs/dbraw/zinc/60/62/01/599606201.db2.gz GMWNENCBWMHKTC-RUDMXATFSA-N -1 3 364.405 3.282 20 0 FGADHM O=C(CC/C=C/c1ccccc1)OCCOc1cccc(-c2nn[n-]n2)c1 ZINC000737824332 599606203 /nfs/dbraw/zinc/60/62/03/599606203.db2.gz GMWNENCBWMHKTC-RUDMXATFSA-N -1 3 364.405 3.282 20 0 FGADHM CCCOc1ccc(CCC(=O)OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821133838 599623231 /nfs/dbraw/zinc/62/32/31/599623231.db2.gz GYHCBZQFBOAQBL-UHFFFAOYSA-N -1 3 366.421 3.332 20 0 FGADHM CCCOc1ccc(CCC(=O)OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821133838 599623232 /nfs/dbraw/zinc/62/32/32/599623232.db2.gz GYHCBZQFBOAQBL-UHFFFAOYSA-N -1 3 366.421 3.332 20 0 FGADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1)[C@H]1SCCc2sccc21 ZINC000823418962 599623803 /nfs/dbraw/zinc/62/38/03/599623803.db2.gz ZUJBJPLRMLZOPI-AWEZNQCLSA-N -1 3 358.448 3.002 20 0 FGADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1)[C@H]1SCCc2sccc21 ZINC000823418962 599623804 /nfs/dbraw/zinc/62/38/04/599623804.db2.gz ZUJBJPLRMLZOPI-AWEZNQCLSA-N -1 3 358.448 3.002 20 0 FGADHM CC[C@H](Cc1ccc(C)cc1)OC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000820913649 599625764 /nfs/dbraw/zinc/62/57/64/599625764.db2.gz IMTSPSOSCLNWMA-MRXNPFEDSA-N -1 3 366.421 3.118 20 0 FGADHM CC[C@H](Cc1ccc(C)cc1)OC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000820913649 599625765 /nfs/dbraw/zinc/62/57/65/599625765.db2.gz IMTSPSOSCLNWMA-MRXNPFEDSA-N -1 3 366.421 3.118 20 0 FGADHM Cc1ccc(C[C@H](OC(=O)Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)cc1 ZINC000822234592 599626183 /nfs/dbraw/zinc/62/61/83/599626183.db2.gz AQJHWAYJGHAXNH-IBGZPJMESA-N -1 3 362.433 3.282 20 0 FGADHM Cc1ccc(C[C@H](OC(=O)Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)cc1 ZINC000822234592 599626184 /nfs/dbraw/zinc/62/61/84/599626184.db2.gz AQJHWAYJGHAXNH-IBGZPJMESA-N -1 3 362.433 3.282 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@]1(C)CCc2ccccc2C1 ZINC000821756026 599630910 /nfs/dbraw/zinc/63/09/10/599630910.db2.gz LTQMDHQGQAHCSY-HXUWFJFHSA-N -1 3 363.421 3.009 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@]1(C)CCc2ccccc2C1 ZINC000821756026 599630911 /nfs/dbraw/zinc/63/09/11/599630911.db2.gz LTQMDHQGQAHCSY-HXUWFJFHSA-N -1 3 363.421 3.009 20 0 FGADHM CSc1ccc(F)cc1CNC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000821985069 599647583 /nfs/dbraw/zinc/64/75/83/599647583.db2.gz YGBLTNUZYDYAGE-UHFFFAOYSA-N -1 3 358.402 3.049 20 0 FGADHM CSc1ccc(F)cc1CNC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000821985069 599647584 /nfs/dbraw/zinc/64/75/84/599647584.db2.gz YGBLTNUZYDYAGE-UHFFFAOYSA-N -1 3 358.402 3.049 20 0 FGADHM Cc1ccc2c(CCC(=O)N(C)Cc3ccc(-c4nnn[n-]4)cc3)c[nH]c2c1 ZINC000822275219 599648241 /nfs/dbraw/zinc/64/82/41/599648241.db2.gz QDGZHODDSUZJKY-UHFFFAOYSA-N -1 3 374.448 3.248 20 0 FGADHM Cc1ccc2c(CCC(=O)N(C)Cc3ccc(-c4nn[n-]n4)cc3)c[nH]c2c1 ZINC000822275219 599648242 /nfs/dbraw/zinc/64/82/42/599648242.db2.gz QDGZHODDSUZJKY-UHFFFAOYSA-N -1 3 374.448 3.248 20 0 FGADHM CCCCC[C@H](C)CC(=O)OCC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000821051002 599668227 /nfs/dbraw/zinc/66/82/27/599668227.db2.gz WMTSYXFDVIAMNV-NSHDSACASA-N -1 3 365.459 3.016 20 0 FGADHM CCCCC[C@H](C)CC(=O)OCC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000821051002 599668228 /nfs/dbraw/zinc/66/82/28/599668228.db2.gz WMTSYXFDVIAMNV-NSHDSACASA-N -1 3 365.459 3.016 20 0 FGADHM CC(C)[C@@H](C(=O)OCc1ccc(F)cc1-c1nnn[n-]1)c1ccccc1 ZINC000820017468 599669608 /nfs/dbraw/zinc/66/96/08/599669608.db2.gz XQZLCYJRVUFBKS-QGZVFWFLSA-N -1 3 354.385 3.489 20 0 FGADHM CC(C)[C@@H](C(=O)OCc1ccc(F)cc1-c1nn[n-]n1)c1ccccc1 ZINC000820017468 599669609 /nfs/dbraw/zinc/66/96/09/599669609.db2.gz XQZLCYJRVUFBKS-QGZVFWFLSA-N -1 3 354.385 3.489 20 0 FGADHM C[C@@H](NC(=O)NC1(c2ccccc2)CCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820357130 599673224 /nfs/dbraw/zinc/67/32/24/599673224.db2.gz FAEHEXYERPUQJZ-CQSZACIVSA-N -1 3 362.437 3.306 20 0 FGADHM C[C@@H](NC(=O)NC1(c2ccccc2)CCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820357130 599673225 /nfs/dbraw/zinc/67/32/25/599673225.db2.gz FAEHEXYERPUQJZ-CQSZACIVSA-N -1 3 362.437 3.306 20 0 FGADHM CCC(CC)(CNc1ccc(-c2nn[n-]n2)cc1)NC(=O)OC(C)(C)C ZINC000820887883 599686568 /nfs/dbraw/zinc/68/65/68/599686568.db2.gz WITGNGKTZHQRQS-UHFFFAOYSA-N -1 3 360.462 3.362 20 0 FGADHM CCC(CC)(CCO)CNc1c(-c2nnn[n-]2)cnc2ccc(Cl)cc21 ZINC000820887816 599688422 /nfs/dbraw/zinc/68/84/22/599688422.db2.gz SGOAEBZQCFFULF-UHFFFAOYSA-N -1 3 374.876 3.091 20 0 FGADHM CCC(CC)(CCO)CNc1c(-c2nn[n-]n2)cnc2ccc(Cl)cc21 ZINC000820887816 599688423 /nfs/dbraw/zinc/68/84/23/599688423.db2.gz SGOAEBZQCFFULF-UHFFFAOYSA-N -1 3 374.876 3.091 20 0 FGADHM O=C(Nc1sccc1-c1nnn[n-]1)c1cc(Oc2ccccc2)ccn1 ZINC000823387251 599690381 /nfs/dbraw/zinc/69/03/81/599690381.db2.gz GQTLCFCRROYXHD-UHFFFAOYSA-N -1 3 364.390 3.368 20 0 FGADHM O=C(Nc1sccc1-c1nn[n-]n1)c1cc(Oc2ccccc2)ccn1 ZINC000823387251 599690382 /nfs/dbraw/zinc/69/03/82/599690382.db2.gz GQTLCFCRROYXHD-UHFFFAOYSA-N -1 3 364.390 3.368 20 0 FGADHM CCN(C(=O)C=Cc1cncc(C)c1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821149292 607393658 /nfs/dbraw/zinc/39/36/58/607393658.db2.gz UYSDRKZUWUBXLX-RNOHYWCBSA-N -1 3 362.437 3.193 20 0 FGADHM CCN(C(=O)C=Cc1cncc(C)c1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821149292 607393660 /nfs/dbraw/zinc/39/36/60/607393660.db2.gz UYSDRKZUWUBXLX-RNOHYWCBSA-N -1 3 362.437 3.193 20 0 FGADHM CCC(CC)(NCC(=O)NCCC(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000736894593 599803167 /nfs/dbraw/zinc/80/31/67/599803167.db2.gz SGIXNFOZBNOBOL-UHFFFAOYSA-N -1 3 361.269 3.189 20 0 FGADHM CC(C)Oc1ccc(NC(=O)c2cc(C(C)C)no2)cc1-c1nnn[n-]1 ZINC000820170126 607400026 /nfs/dbraw/zinc/40/00/26/607400026.db2.gz RJLNMEADXDZBCS-UHFFFAOYSA-N -1 3 356.386 3.018 20 0 FGADHM CC(C)Oc1ccc(NC(=O)c2cc(C(C)C)no2)cc1-c1nn[n-]n1 ZINC000820170126 607400028 /nfs/dbraw/zinc/40/00/28/607400028.db2.gz RJLNMEADXDZBCS-UHFFFAOYSA-N -1 3 356.386 3.018 20 0 FGADHM CC(C)Oc1ccc(NC(=O)c2cc(F)ccc2F)cc1-c1nnn[n-]1 ZINC000820170182 607400270 /nfs/dbraw/zinc/40/02/70/607400270.db2.gz TXSNGMBVFVRSCU-UHFFFAOYSA-N -1 3 359.336 3.184 20 0 FGADHM CC(C)Oc1ccc(NC(=O)c2cc(F)ccc2F)cc1-c1nn[n-]n1 ZINC000820170182 607400271 /nfs/dbraw/zinc/40/02/71/607400271.db2.gz TXSNGMBVFVRSCU-UHFFFAOYSA-N -1 3 359.336 3.184 20 0 FGADHM CC[C@@H](OC1CCCC1)C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000820938240 607402565 /nfs/dbraw/zinc/40/25/65/607402565.db2.gz HPDZWJAUYLKUJD-MRXNPFEDSA-N -1 3 373.457 3.330 20 0 FGADHM CC[C@@H](OC1CCCC1)C(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000820938240 607402566 /nfs/dbraw/zinc/40/25/66/607402566.db2.gz HPDZWJAUYLKUJD-MRXNPFEDSA-N -1 3 373.457 3.330 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)Cc1ccccc1OC(C)C ZINC000826253907 607403626 /nfs/dbraw/zinc/40/36/26/607403626.db2.gz KPFWBWBTDVQNBC-UHFFFAOYSA-N -1 3 366.421 3.248 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)Cc1ccccc1OC(C)C ZINC000826253907 607403627 /nfs/dbraw/zinc/40/36/27/607403627.db2.gz KPFWBWBTDVQNBC-UHFFFAOYSA-N -1 3 366.421 3.248 20 0 FGADHM CC[C@@H](CNC(=O)c1cccc(NC(=O)[O-])c1)N1CCc2ccccc2C1 ZINC000736906395 599903645 /nfs/dbraw/zinc/90/36/45/599903645.db2.gz ZTFGVYFCPAXYOU-IBGZPJMESA-N -1 3 367.449 3.343 20 0 FGADHM Cc1ccc2c(CC(=O)OCc3ccc(-c4nnn[n-]4)cc3C)c[nH]c2c1 ZINC000826293090 607410218 /nfs/dbraw/zinc/41/02/18/607410218.db2.gz AIMBSWGSVXOATB-UHFFFAOYSA-N -1 3 361.405 3.251 20 0 FGADHM Cc1ccc2c(CC(=O)OCc3ccc(-c4nn[n-]n4)cc3C)c[nH]c2c1 ZINC000826293090 607410220 /nfs/dbraw/zinc/41/02/20/607410220.db2.gz AIMBSWGSVXOATB-UHFFFAOYSA-N -1 3 361.405 3.251 20 0 FGADHM Cc1cc(NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)ccc1C(=O)[O-] ZINC000312139352 600017368 /nfs/dbraw/zinc/01/73/68/600017368.db2.gz TXFIQDLCNIEQPV-GOSISDBHSA-N -1 3 367.449 3.479 20 0 FGADHM O=C(CCc1cc(Cl)cs1)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826407853 607416456 /nfs/dbraw/zinc/41/64/56/607416456.db2.gz DZJNZCCEJDONBL-UHFFFAOYSA-N -1 3 373.869 3.320 20 0 FGADHM O=C(CCc1cc(Cl)cs1)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826407853 607416457 /nfs/dbraw/zinc/41/64/57/607416457.db2.gz DZJNZCCEJDONBL-UHFFFAOYSA-N -1 3 373.869 3.320 20 0 FGADHM Cc1ccc([C@@H](CNC(=O)CCc2ccc(C(=O)[O-])cc2)N(C)C)cc1 ZINC000738554208 600066217 /nfs/dbraw/zinc/06/62/17/600066217.db2.gz KHVZJWHUWXICGV-LJQANCHMSA-N -1 3 354.450 3.045 20 0 FGADHM Cc1ccc(C(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)cc1Cl ZINC000826281855 607417932 /nfs/dbraw/zinc/41/79/32/607417932.db2.gz MNNKONBESFZZSV-UHFFFAOYSA-N -1 3 353.813 3.248 20 0 FGADHM Cc1ccc(C(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)cc1Cl ZINC000826281855 607417934 /nfs/dbraw/zinc/41/79/34/607417934.db2.gz MNNKONBESFZZSV-UHFFFAOYSA-N -1 3 353.813 3.248 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)CC/C=C/c1ccccc1 ZINC000821741964 607418636 /nfs/dbraw/zinc/41/86/36/607418636.db2.gz WBHSHFKIHNKSIH-WEVVVXLNSA-N -1 3 364.405 3.412 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)CC/C=C/c1ccccc1 ZINC000821741964 607418638 /nfs/dbraw/zinc/41/86/38/607418638.db2.gz WBHSHFKIHNKSIH-WEVVVXLNSA-N -1 3 364.405 3.412 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)Cc1ccc(C)cc1Cl ZINC000821741831 607420042 /nfs/dbraw/zinc/42/00/42/607420042.db2.gz TUVNASDSLHQUAV-UHFFFAOYSA-N -1 3 372.812 3.123 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)Cc1ccc(C)cc1Cl ZINC000821741831 607420044 /nfs/dbraw/zinc/42/00/44/607420044.db2.gz TUVNASDSLHQUAV-UHFFFAOYSA-N -1 3 372.812 3.123 20 0 FGADHM O=C([O-])Nc1cc(NC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)ccc1F ZINC000740005251 600122282 /nfs/dbraw/zinc/12/22/82/600122282.db2.gz FLYXNOZWOASCMD-CQSZACIVSA-N -1 3 372.400 3.161 20 0 FGADHM O=C([O-])Nc1cc(NC(=O)[C@H]2CCCN(Cc3cccnc3)C2)ccc1F ZINC000740005250 600122389 /nfs/dbraw/zinc/12/23/89/600122389.db2.gz FLYXNOZWOASCMD-AWEZNQCLSA-N -1 3 372.400 3.161 20 0 FGADHM Cc1ccsc1[C@H]1C[C@H]1C(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826316354 607424178 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CN(C)CCN(Cc1ccccc1)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000830608973 602375674 /nfs/dbraw/zinc/37/56/74/602375674.db2.gz NTTFMYJVFWNCDW-UHFFFAOYSA-N -1 3 359.401 3.120 20 0 FGADHM O=C([O-])Nc1cc(C(=O)N[C@H](CN2CCCC2)c2ccccc2)ccc1F ZINC000740696096 602483612 /nfs/dbraw/zinc/48/36/12/602483612.db2.gz NRCBSYIQKPIQFE-GOSISDBHSA-N -1 3 371.412 3.483 20 0 FGADHM CN(C(=O)c1cc2ccccc2cc1NC(=O)[O-])[C@@H]1CCN(C2CC2)C1 ZINC000739594101 602547021 /nfs/dbraw/zinc/54/70/21/602547021.db2.gz ZUOACZHERHFXKG-MRXNPFEDSA-N -1 3 353.422 3.238 20 0 FGADHM C[C@H](CNC(=O)Nc1ccc(NC(=O)[O-])cc1)N(C)Cc1ccccc1 ZINC000736598827 602605339 /nfs/dbraw/zinc/60/53/39/602605339.db2.gz OVZRTJVLFFMQMN-CQSZACIVSA-N -1 3 356.426 3.419 20 0 FGADHM COc1ccc(COC(=O)C(C)(C)c2cccc(F)c2)cc1-c1nnn[n-]1 ZINC000826204624 607609345 /nfs/dbraw/zinc/60/93/45/607609345.db2.gz SFGAOBGCZMBJKC-UHFFFAOYSA-N -1 3 370.384 3.035 20 0 FGADHM COc1ccc(COC(=O)C(C)(C)c2cccc(F)c2)cc1-c1nn[n-]n1 ZINC000826204624 607609347 /nfs/dbraw/zinc/60/93/47/607609347.db2.gz SFGAOBGCZMBJKC-UHFFFAOYSA-N -1 3 370.384 3.035 20 0 FGADHM Cc1nc2ccccc2nc1CN1CCCC[C@H]1[C@H]1CCCN1C(=O)[O-] ZINC000740231598 603236506 /nfs/dbraw/zinc/23/65/06/603236506.db2.gz MPXXDWHOQUIXKA-RBUKOAKNSA-N -1 3 354.454 3.435 20 0 FGADHM CN(C)Cc1ccccc1CNC(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000739614387 603267014 /nfs/dbraw/zinc/26/70/14/603267014.db2.gz GZDBIOVGEYWQAC-UHFFFAOYSA-N -1 3 361.829 3.422 20 0 FGADHM CN(C)[C@H](CNC(=O)Nc1cccc(CN(C)C(=O)[O-])c1)c1ccccc1 ZINC000739713514 603360281 /nfs/dbraw/zinc/36/02/81/603360281.db2.gz MPQMPNGBAFIUOM-GOSISDBHSA-N -1 3 370.453 3.221 20 0 FGADHM C[C@H](NCc1ccc(NC(=O)[O-])nc1)c1ccc(NC(=O)C2CC2)cc1 ZINC000825503337 603534777 /nfs/dbraw/zinc/53/47/77/603534777.db2.gz QVSAQARWCACGCO-LBPRGKRZSA-N -1 3 354.410 3.371 20 0 FGADHM C[C@H](NCc1ccc(NC(=O)[O-])nc1)[C@H](O)c1c(F)cccc1Cl ZINC000825501093 603559642 /nfs/dbraw/zinc/55/96/42/603559642.db2.gz BPDVFJJMVHKEGY-VFZGTOFNSA-N -1 3 353.781 3.176 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccccc1Br ZINC000826250617 607644332 /nfs/dbraw/zinc/64/43/32/607644332.db2.gz JIAWESVWWWIKFD-UHFFFAOYSA-N -1 3 358.199 3.190 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccccc1Br ZINC000826250617 607644333 /nfs/dbraw/zinc/64/43/33/607644333.db2.gz JIAWESVWWWIKFD-UHFFFAOYSA-N -1 3 358.199 3.190 20 0 FGADHM CN(C(=O)[O-])[C@H]1CCN(CCC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000827881432 603845986 /nfs/dbraw/zinc/84/59/86/603845986.db2.gz CTRNRGAAYPMHQB-NSHDSACASA-N -1 3 360.241 3.006 20 0 FGADHM O=C([O-])N1CCC[C@@H]1[C@@H]1CCCN(C[C@H](O)c2cccc(Cl)c2)C1 ZINC000832004085 604038060 /nfs/dbraw/zinc/03/80/60/604038060.db2.gz CRXAQXGMKZLGMU-OIISXLGYSA-N -1 3 352.862 3.228 20 0 FGADHM CN(C[C@@H]1CCCN(Cc2ccccc2OCC(F)(F)F)C1)C(=O)[O-] ZINC000828180263 604040260 /nfs/dbraw/zinc/04/02/60/604040260.db2.gz KDCISSQYCVOMOO-ZDUSSCGKSA-N -1 3 360.376 3.450 20 0 FGADHM COc1ccc(CN2CC[C@H](CNC(=O)[O-])C2)cc1SC(F)(F)F ZINC000829363914 604045074 /nfs/dbraw/zinc/04/50/74/604045074.db2.gz ZHRSOIPEUSLXNN-LLVKDONJSA-N -1 3 364.389 3.397 20 0 FGADHM CN(C)CCN(C(=O)Nc1cccc2c1CCN(C(=O)[O-])C2)C1CCCC1 ZINC000828024193 604087533 /nfs/dbraw/zinc/08/75/33/604087533.db2.gz KDWUIOPKYFAGRJ-UHFFFAOYSA-N -1 3 374.485 3.061 20 0 FGADHM Cc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)cc2C)cc1OCC(F)F ZINC000826290798 607680688 /nfs/dbraw/zinc/68/06/88/607680688.db2.gz AFBBUCKATULYAE-UHFFFAOYSA-N -1 3 373.363 3.380 20 0 FGADHM Cc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)cc2C)cc1OCC(F)F ZINC000826290798 607680689 /nfs/dbraw/zinc/68/06/89/607680689.db2.gz AFBBUCKATULYAE-UHFFFAOYSA-N -1 3 373.363 3.380 20 0 FGADHM FC(F)(F)c1ccc(N2CCC[C@@H]([C@@H]3CCOC3)C2)c(-c2nnn[n-]2)c1 ZINC000826368093 607681682 /nfs/dbraw/zinc/68/16/82/607681682.db2.gz BLTHVVRCBLPGOC-VXGBXAGGSA-N -1 3 367.375 3.138 20 0 FGADHM FC(F)(F)c1ccc(N2CCC[C@@H]([C@@H]3CCOC3)C2)c(-c2nn[n-]n2)c1 ZINC000826368093 607681684 /nfs/dbraw/zinc/68/16/84/607681684.db2.gz BLTHVVRCBLPGOC-VXGBXAGGSA-N -1 3 367.375 3.138 20 0 FGADHM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000379604004 604295858 /nfs/dbraw/zinc/29/58/58/604295858.db2.gz GNYJIQWAMXXYOC-QGZVFWFLSA-N -1 3 369.465 3.114 20 0 FGADHM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1cc(F)c(Cl)cc1Cl ZINC000824513741 607684015 /nfs/dbraw/zinc/68/40/15/607684015.db2.gz HGQWHMGNKMXZLT-ZCFIWIBFSA-N -1 3 369.187 3.132 20 0 FGADHM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1cc(F)c(Cl)cc1Cl ZINC000824513741 607684017 /nfs/dbraw/zinc/68/40/17/607684017.db2.gz HGQWHMGNKMXZLT-ZCFIWIBFSA-N -1 3 369.187 3.132 20 0 FGADHM c1cc(-c2nc(-c3cccnc3Oc3ccccc3)no2)[nH]c1-c1nnn[n-]1 ZINC000826522951 607685563 /nfs/dbraw/zinc/68/55/63/607685563.db2.gz UUHAPCJCHOZHKA-UHFFFAOYSA-N -1 3 372.348 3.099 20 0 FGADHM c1cc(-c2nc(-c3cccnc3Oc3ccccc3)no2)[nH]c1-c1nn[n-]n1 ZINC000826522951 607685565 /nfs/dbraw/zinc/68/55/65/607685565.db2.gz UUHAPCJCHOZHKA-UHFFFAOYSA-N -1 3 372.348 3.099 20 0 FGADHM CN(C)Cc1cccc(C(=O)N(CCCC(=O)[O-])Cc2ccccc2)c1 ZINC000830620040 604350423 /nfs/dbraw/zinc/35/04/23/604350423.db2.gz OTTRRRLYDULKDI-UHFFFAOYSA-N -1 3 354.450 3.255 20 0 FGADHM C[C@@H](CC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1F ZINC000824384344 607692473 /nfs/dbraw/zinc/69/24/73/607692473.db2.gz AQHWJNTWURQQCP-LBPRGKRZSA-N -1 3 371.391 3.297 20 0 FGADHM C[C@@H](CC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1F ZINC000824384344 607692474 /nfs/dbraw/zinc/69/24/74/607692474.db2.gz AQHWJNTWURQQCP-LBPRGKRZSA-N -1 3 371.391 3.297 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCc2c(Cl)cccc2C1 ZINC000826246093 607694707 /nfs/dbraw/zinc/69/47/07/607694707.db2.gz RDDOJZIKENEDSA-UHFFFAOYSA-N -1 3 353.813 3.027 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCc2c(Cl)cccc2C1 ZINC000826246093 607694708 /nfs/dbraw/zinc/69/47/08/607694708.db2.gz RDDOJZIKENEDSA-UHFFFAOYSA-N -1 3 353.813 3.027 20 0 FGADHM CN(Cc1cccc2nsnc21)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830853164 604490353 /nfs/dbraw/zinc/49/03/53/604490353.db2.gz YPXFUHAIZLAFAH-OAHLLOKOSA-N -1 3 367.352 3.366 20 0 FGADHM O=C([O-])c1csc(NC(=O)N[C@H](CN2CCCC2)c2ccccc2)c1 ZINC000833152297 604496298 /nfs/dbraw/zinc/49/62/98/604496298.db2.gz ZVRGPGKKYROAIB-OAHLLOKOSA-N -1 3 359.451 3.405 20 0 FGADHM O=C([O-])c1csc(NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000833151105 604500736 /nfs/dbraw/zinc/50/07/36/604500736.db2.gz MZZKCZSLELBYLS-HNNXBMFYSA-N -1 3 359.451 3.232 20 0 FGADHM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826316489 607699326 /nfs/dbraw/zinc/69/93/26/607699326.db2.gz PVOBRZVIZAJNFP-GLQYFDAESA-N -1 3 353.451 3.218 20 0 FGADHM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826316489 607699328 /nfs/dbraw/zinc/69/93/28/607699328.db2.gz PVOBRZVIZAJNFP-GLQYFDAESA-N -1 3 353.451 3.218 20 0 FGADHM Cc1sc(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)nc1-c1ccc(C)cc1 ZINC000826273407 607701178 /nfs/dbraw/zinc/70/11/78/607701178.db2.gz CDYHGWKHYVIGAN-UHFFFAOYSA-N -1 3 365.422 3.187 20 0 FGADHM Cc1sc(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)nc1-c1ccc(C)cc1 ZINC000826273407 607701180 /nfs/dbraw/zinc/70/11/80/607701180.db2.gz CDYHGWKHYVIGAN-UHFFFAOYSA-N -1 3 365.422 3.187 20 0 FGADHM COc1ccc2c(c1)N(C(=O)c1ccc(-c3nnn[n-]3)cc1C)CCCC2 ZINC000826212904 607702829 /nfs/dbraw/zinc/70/28/29/607702829.db2.gz FFQGUXCNEFOGFL-UHFFFAOYSA-N -1 3 363.421 3.167 20 0 FGADHM COc1ccc2c(c1)N(C(=O)c1ccc(-c3nn[n-]n3)cc1C)CCCC2 ZINC000826212904 607702830 /nfs/dbraw/zinc/70/28/30/607702830.db2.gz FFQGUXCNEFOGFL-UHFFFAOYSA-N -1 3 363.421 3.167 20 0 FGADHM Cc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)c(OCc2ccccc2)c1 ZINC000826291123 607702815 /nfs/dbraw/zinc/70/28/15/607702815.db2.gz QCFVCNHLBXGNTK-UHFFFAOYSA-N -1 3 374.404 3.335 20 0 FGADHM Cc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)c(OCc2ccccc2)c1 ZINC000826291123 607702817 /nfs/dbraw/zinc/70/28/17/607702817.db2.gz QCFVCNHLBXGNTK-UHFFFAOYSA-N -1 3 374.404 3.335 20 0 FGADHM O=C(c1ccc(-c2nnn[n-]2)[nH]1)N(Cc1ccc2ccccc2c1)C1CC1 ZINC000826470978 607706299 /nfs/dbraw/zinc/70/62/99/607706299.db2.gz JTBSTVZXFOBXSD-UHFFFAOYSA-N -1 3 358.405 3.153 20 0 FGADHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N(Cc1ccc2ccccc2c1)C1CC1 ZINC000826470978 607706301 /nfs/dbraw/zinc/70/63/01/607706301.db2.gz JTBSTVZXFOBXSD-UHFFFAOYSA-N -1 3 358.405 3.153 20 0 FGADHM O=C([O-])CC1(NCc2nc(-c3cc(F)c(F)c(F)c3)no2)CCCCC1 ZINC000833205399 604676664 /nfs/dbraw/zinc/67/66/64/604676664.db2.gz CTPSTERNJABYJT-UHFFFAOYSA-N -1 3 369.343 3.421 20 0 FGADHM CC(C)c1nc2ccc(NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)cc2s1 ZINC000824364973 607708136 /nfs/dbraw/zinc/70/81/36/607708136.db2.gz XJHCQBUNHXOQTJ-UHFFFAOYSA-N -1 3 353.411 3.180 20 0 FGADHM CC(C)c1nc2ccc(NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)cc2s1 ZINC000824364973 607708139 /nfs/dbraw/zinc/70/81/39/607708139.db2.gz XJHCQBUNHXOQTJ-UHFFFAOYSA-N -1 3 353.411 3.180 20 0 FGADHM O=C([O-])c1ccccc1CCC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000833764098 604697765 /nfs/dbraw/zinc/69/77/65/604697765.db2.gz WNHMGTMIHARZFN-IBGZPJMESA-N -1 3 366.461 3.098 20 0 FGADHM CC(C)(COc1ncccc1Br)NCc1ccoc1C(=O)[O-] ZINC000833462099 604754682 /nfs/dbraw/zinc/75/46/82/604754682.db2.gz WZWLPYWXZACYCL-UHFFFAOYSA-N -1 3 369.215 3.083 20 0 FGADHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CCCSCC(C)C ZINC000826334779 607713339 /nfs/dbraw/zinc/71/33/39/607713339.db2.gz JBKOWXOILOTYPX-UHFFFAOYSA-N -1 3 357.487 3.213 20 0 FGADHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CCCSCC(C)C ZINC000826334779 607713340 /nfs/dbraw/zinc/71/33/40/607713340.db2.gz JBKOWXOILOTYPX-UHFFFAOYSA-N -1 3 357.487 3.213 20 0 FGADHM C[C@H](NCc1ccc(CCNC(=O)[O-])cc1)c1ccc([S@@](C)=O)cc1 ZINC000825503841 604942817 /nfs/dbraw/zinc/94/28/17/604942817.db2.gz YARLXCMCPFAOAY-HWRSSNJWSA-N -1 3 360.479 3.085 20 0 FGADHM Cc1c([C@H](C)NC2CCN(C(=O)[O-])CC2)nnn1-c1cccc(Cl)c1 ZINC000829859350 604981858 /nfs/dbraw/zinc/98/18/58/604981858.db2.gz LXJDUBZRXUJEJS-NSHDSACASA-N -1 3 363.849 3.022 20 0 FGADHM COCCCOc1cccc(CNc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000826157135 607730311 /nfs/dbraw/zinc/73/03/11/607730311.db2.gz JBJDDPHASLQXRO-UHFFFAOYSA-N -1 3 357.389 3.033 20 0 FGADHM CC1(C)CC[C@@H](C(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)C1 ZINC000833558186 605083038 /nfs/dbraw/zinc/08/30/38/605083038.db2.gz UJNWSTXODHEGRD-UTKZUKDTSA-N -1 3 358.482 3.048 20 0 FGADHM Cc1cc(C)c(-c2nnn[n-]2)c(N2CC[C@H](Oc3ccccc3Cl)C2)n1 ZINC000826262007 607736740 /nfs/dbraw/zinc/73/67/40/607736740.db2.gz BGWLNDMMSXCZQQ-ZDUSSCGKSA-N -1 3 370.844 3.190 20 0 FGADHM Cc1cc(C)c(-c2nn[n-]n2)c(N2CC[C@H](Oc3ccccc3Cl)C2)n1 ZINC000826262007 607736741 /nfs/dbraw/zinc/73/67/41/607736741.db2.gz BGWLNDMMSXCZQQ-ZDUSSCGKSA-N -1 3 370.844 3.190 20 0 FGADHM CC(C)(C(=O)[O-])[C@@H](NCC(=O)N1CCCc2ccccc21)c1ccccc1 ZINC000833413699 605175066 /nfs/dbraw/zinc/17/50/66/605175066.db2.gz OPKZFOXCZCALNM-FQEVSTJZSA-N -1 3 366.461 3.408 20 0 FGADHM Cc1cccc(C2(O)CCN(Cc3ccc(OCC(=O)[O-])cc3)CC2)c1C ZINC000833752309 605298214 /nfs/dbraw/zinc/29/82/14/605298214.db2.gz GZNWXDIACSKCJB-UHFFFAOYSA-N -1 3 369.461 3.250 20 0 FGADHM Cc1cc(C(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)ccc1NC(=O)[O-] ZINC000829940743 605329448 /nfs/dbraw/zinc/32/94/48/605329448.db2.gz PDGOJTHTSVZMAL-CRAIPNDOSA-N -1 3 367.449 3.478 20 0 FGADHM CCOC(=O)Nc1ccc(NC(=O)C[C@@H](CC)C(C)C)cc1-c1nnn[n-]1 ZINC000825530736 607760974 /nfs/dbraw/zinc/76/09/74/607760974.db2.gz DUEFRPZCURZYDF-GFCCVEGCSA-N -1 3 374.445 3.446 20 0 FGADHM CCOC(=O)Nc1ccc(NC(=O)C[C@@H](CC)C(C)C)cc1-c1nn[n-]n1 ZINC000825530736 607760975 /nfs/dbraw/zinc/76/09/75/607760975.db2.gz DUEFRPZCURZYDF-GFCCVEGCSA-N -1 3 374.445 3.446 20 0 FGADHM CCOc1cc(CN2CCC[C@H](CNC(=O)[O-])C2)ccc1OC(F)F ZINC000833861567 605553102 /nfs/dbraw/zinc/55/31/02/605553102.db2.gz MIIHZULMJORIAM-CYBMUJFWSA-N -1 3 358.385 3.166 20 0 FGADHM COc1ccc(CN(C)C)cc1NC(=O)C[C@H](NC(=O)[O-])c1ccccc1 ZINC000829361211 605584927 /nfs/dbraw/zinc/58/49/27/605584927.db2.gz CPEPGTCBLVOLLL-INIZCTEOSA-N -1 3 371.437 3.094 20 0 FGADHM O=C([O-])NC1CCC(NCc2nn(-c3ccccc3)c3c2CCC3)CC1 ZINC000834164201 605586039 /nfs/dbraw/zinc/58/60/39/605586039.db2.gz TVYLSWSYDQVLMY-UHFFFAOYSA-N -1 3 354.454 3.029 20 0 FGADHM COc1cc(NC(C)=O)ccc1[C@@H](C)NC[C@@H](NC(=O)[O-])c1ccccc1 ZINC000833888027 605697267 /nfs/dbraw/zinc/69/72/67/605697267.db2.gz QSMPWWDOETVCGX-FZKQIMNGSA-N -1 3 371.437 3.313 20 0 FGADHM O=C([O-])N1CCc2cccc(CNCCc3nnc(-c4ccccc4)o3)c21 ZINC000834121339 605708321 /nfs/dbraw/zinc/70/83/21/605708321.db2.gz QNJDARLSLKMPRQ-UHFFFAOYSA-N -1 3 364.405 3.109 20 0 FGADHM C[C@@H]1CC[C@H](NC(=O)COc2ccccc2-c2nnn[n-]2)c2ccccc21 ZINC000824919152 607771913 /nfs/dbraw/zinc/77/19/13/607771913.db2.gz SASVPRCIFPGPRK-DYVFJYSZSA-N -1 3 363.421 3.000 20 0 FGADHM C[C@@H]1CC[C@H](NC(=O)COc2ccccc2-c2nn[n-]n2)c2ccccc21 ZINC000824919152 607771914 /nfs/dbraw/zinc/77/19/14/607771914.db2.gz SASVPRCIFPGPRK-DYVFJYSZSA-N -1 3 363.421 3.000 20 0 FGADHM C[C@@H]1CC[C@H](NC(=O)COc2cccc(-c3nnn[n-]3)c2)c2ccccc21 ZINC000824916630 607771958 /nfs/dbraw/zinc/77/19/58/607771958.db2.gz KUCUWCGZBJMUIG-ACJLOTCBSA-N -1 3 363.421 3.000 20 0 FGADHM C[C@@H]1CC[C@H](NC(=O)COc2cccc(-c3nn[n-]n3)c2)c2ccccc21 ZINC000824916630 607771959 /nfs/dbraw/zinc/77/19/59/607771959.db2.gz KUCUWCGZBJMUIG-ACJLOTCBSA-N -1 3 363.421 3.000 20 0 FGADHM C[C@H]1CC[C@@H](NC(=O)COc2ccc(-c3nn[n-]n3)cc2)c2ccccc21 ZINC000824919541 607771979 /nfs/dbraw/zinc/77/19/79/607771979.db2.gz WGSPXCDFEGFLQV-SCLBCKFNSA-N -1 3 363.421 3.000 20 0 FGADHM CC(C)[C@H](NC(=O)CN(C)C1C[C@H]2CC[C@@H](C1)N2C(=O)[O-])c1ccccc1 ZINC000833792191 605875135 /nfs/dbraw/zinc/87/51/35/605875135.db2.gz BAFALJVVOGIICH-WMWLNJEOSA-N -1 3 373.497 3.105 20 0 FGADHM O=C(CCn1cccc1)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822987360 606019680 /nfs/dbraw/zinc/01/96/80/606019680.db2.gz WGMYOQFHCLRCOL-UHFFFAOYSA-N -1 3 374.404 3.489 20 0 FGADHM O=C(CCn1cccc1)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822987360 606019684 /nfs/dbraw/zinc/01/96/84/606019684.db2.gz WGMYOQFHCLRCOL-UHFFFAOYSA-N -1 3 374.404 3.489 20 0 FGADHM CCOc1ccc([C@H](C)Nc2ccc(-c3nnn[n-]3)nc2)cc1OCC ZINC000821417790 606024751 /nfs/dbraw/zinc/02/47/51/606024751.db2.gz RTOKYNPKQOEEHE-LBPRGKRZSA-N -1 3 354.414 3.232 20 0 FGADHM CCOc1ccc([C@H](C)Nc2ccc(-c3nn[n-]n3)nc2)cc1OCC ZINC000821417790 606024754 /nfs/dbraw/zinc/02/47/54/606024754.db2.gz RTOKYNPKQOEEHE-LBPRGKRZSA-N -1 3 354.414 3.232 20 0 FGADHM c1ccc2nc(NC[C@H]3COc4ccccc4C3)c(-c3nnn[n-]3)cc2c1 ZINC000823796760 606031078 /nfs/dbraw/zinc/03/10/78/606031078.db2.gz GBYXSYRKTQAZRV-ZDUSSCGKSA-N -1 3 358.405 3.078 20 0 FGADHM c1ccc2nc(NC[C@H]3COc4ccccc4C3)c(-c3nn[n-]n3)cc2c1 ZINC000823796760 606031082 /nfs/dbraw/zinc/03/10/82/606031082.db2.gz GBYXSYRKTQAZRV-ZDUSSCGKSA-N -1 3 358.405 3.078 20 0 FGADHM CCc1c(C)sc(NC(=O)c2c(C)noc2C(F)F)c1-c1nnn[n-]1 ZINC000821465653 606052864 /nfs/dbraw/zinc/05/28/64/606052864.db2.gz MHOYNZGOTSBBAM-UHFFFAOYSA-N -1 3 368.369 3.285 20 0 FGADHM C[C@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@H](C)C2)c1cccnc1 ZINC000820727164 606053677 /nfs/dbraw/zinc/05/36/77/606053677.db2.gz HYVFNSPPVDLFHB-QWRGUYRKSA-N -1 3 368.466 3.190 20 0 FGADHM C[C@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@H](C)C2)c1cccnc1 ZINC000820727164 606053679 /nfs/dbraw/zinc/05/36/79/606053679.db2.gz HYVFNSPPVDLFHB-QWRGUYRKSA-N -1 3 368.466 3.190 20 0 FGADHM COc1nc(C)cc(C)c1CNc1nc2ccccc2cc1-c1nnn[n-]1 ZINC000821911538 606068823 /nfs/dbraw/zinc/06/88/23/606068823.db2.gz XANMEIDCNSDWBL-UHFFFAOYSA-N -1 3 361.409 3.047 20 0 FGADHM COc1nc(C)cc(C)c1CNc1nc2ccccc2cc1-c1nn[n-]n1 ZINC000821911538 606068828 /nfs/dbraw/zinc/06/88/28/606068828.db2.gz XANMEIDCNSDWBL-UHFFFAOYSA-N -1 3 361.409 3.047 20 0 FGADHM CCO[C@H]1C[C@H](Nc2nc3ccccc3cc2-c2nnn[n-]2)C12CCC2 ZINC000821357841 606092146 /nfs/dbraw/zinc/09/21/46/606092146.db2.gz FZGLMNQCTUQBPH-HOTGVXAUSA-N -1 3 350.426 3.175 20 0 FGADHM CCO[C@H]1C[C@H](Nc2nc3ccccc3cc2-c2nn[n-]n2)C12CCC2 ZINC000821357841 606092151 /nfs/dbraw/zinc/09/21/51/606092151.db2.gz FZGLMNQCTUQBPH-HOTGVXAUSA-N -1 3 350.426 3.175 20 0 FGADHM CC[C@H](Nc1ccc(-c2nnn[n-]2)nc1)c1nc(C(F)(F)F)cs1 ZINC000820926694 606097916 /nfs/dbraw/zinc/09/79/16/606097916.db2.gz VIDAGIYYGVKLDP-QMMMGPOBSA-N -1 3 355.349 3.300 20 0 FGADHM CC[C@H](Nc1ccc(-c2nn[n-]n2)nc1)c1nc(C(F)(F)F)cs1 ZINC000820926694 606097919 /nfs/dbraw/zinc/09/79/19/606097919.db2.gz VIDAGIYYGVKLDP-QMMMGPOBSA-N -1 3 355.349 3.300 20 0 FGADHM Cc1ccc(CCC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)CC(C)C)o1 ZINC000822235029 606103720 /nfs/dbraw/zinc/10/37/20/606103720.db2.gz PAYZXFHQCADBLT-UHFFFAOYSA-N -1 3 367.453 3.386 20 0 FGADHM Cc1ccc(CCC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)CC(C)C)o1 ZINC000822235029 606103721 /nfs/dbraw/zinc/10/37/21/606103721.db2.gz PAYZXFHQCADBLT-UHFFFAOYSA-N -1 3 367.453 3.386 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc(F)c(CSC)c1 ZINC000821765382 606108538 /nfs/dbraw/zinc/10/85/38/606108538.db2.gz CACQQTKMECBZJU-UHFFFAOYSA-N -1 3 373.413 3.130 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(F)c(CSC)c1 ZINC000821765382 606108539 /nfs/dbraw/zinc/10/85/39/606108539.db2.gz CACQQTKMECBZJU-UHFFFAOYSA-N -1 3 373.413 3.130 20 0 FGADHM C[C@H]1CCN(C(=O)Cc2ccc(-c3nnn[n-]3)cc2)[C@@H]1c1cccc(F)c1 ZINC000820717761 606110069 /nfs/dbraw/zinc/11/00/69/606110069.db2.gz VXHAWDDWWGHGHP-DJJJIMSYSA-N -1 3 365.412 3.158 20 0 FGADHM C[C@H]1CCN(C(=O)Cc2ccc(-c3nn[n-]n3)cc2)[C@@H]1c1cccc(F)c1 ZINC000820717761 606110070 /nfs/dbraw/zinc/11/00/70/606110070.db2.gz VXHAWDDWWGHGHP-DJJJIMSYSA-N -1 3 365.412 3.158 20 0 FGADHM C[C@H](NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)[C@@H](C)c1ccccc1 ZINC000820379771 606119931 /nfs/dbraw/zinc/11/99/31/606119931.db2.gz GWFXILDQHKHMDV-NEPJUHHUSA-N -1 3 354.389 3.320 20 0 FGADHM C[C@H](NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)[C@@H](C)c1ccccc1 ZINC000820379771 606119933 /nfs/dbraw/zinc/11/99/33/606119933.db2.gz GWFXILDQHKHMDV-NEPJUHHUSA-N -1 3 354.389 3.320 20 0 FGADHM CC[C@@H](Oc1ccccc1C)C(=O)OCc1cc(-c2nnn[n-]2)ccc1F ZINC000820938921 606127262 /nfs/dbraw/zinc/12/72/62/606127262.db2.gz OPVGXTBBEGCYOE-MRXNPFEDSA-N -1 3 370.384 3.215 20 0 FGADHM CC[C@@H](Oc1ccccc1C)C(=O)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000820938921 606127264 /nfs/dbraw/zinc/12/72/64/606127264.db2.gz OPVGXTBBEGCYOE-MRXNPFEDSA-N -1 3 370.384 3.215 20 0 FGADHM COCCN(C(=O)CC1CCCCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000821688618 606127874 /nfs/dbraw/zinc/12/78/74/606127874.db2.gz SFEBWYOBEAPXFP-UHFFFAOYSA-N -1 3 357.458 3.207 20 0 FGADHM COCCN(C(=O)CC1CCCCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000821688618 606127875 /nfs/dbraw/zinc/12/78/75/606127875.db2.gz SFEBWYOBEAPXFP-UHFFFAOYSA-N -1 3 357.458 3.207 20 0 FGADHM Cc1csc([C@@H](OC(=O)c2cccc(-c3nnn[n-]3)c2)C(F)(F)F)n1 ZINC000822410212 606128966 /nfs/dbraw/zinc/12/89/66/606128966.db2.gz ZTSVBLWQAKOJGU-SNVBAGLBSA-N -1 3 369.328 3.092 20 0 FGADHM Cc1csc([C@@H](OC(=O)c2cccc(-c3nn[n-]n3)c2)C(F)(F)F)n1 ZINC000822410212 606128967 /nfs/dbraw/zinc/12/89/67/606128967.db2.gz ZTSVBLWQAKOJGU-SNVBAGLBSA-N -1 3 369.328 3.092 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H]1CCCC1(C)C ZINC000821104383 606130785 /nfs/dbraw/zinc/13/07/85/606130785.db2.gz AVOQSIWBFBIKRB-MRXNPFEDSA-N -1 3 356.474 3.367 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1CCCC1(C)C ZINC000821104383 606130786 /nfs/dbraw/zinc/13/07/86/606130786.db2.gz AVOQSIWBFBIKRB-MRXNPFEDSA-N -1 3 356.474 3.367 20 0 FGADHM CC(C)OCc1ccc(NCc2cnc3ccc(-c4nnn[n-]4)cn23)cc1 ZINC000820147025 606132466 /nfs/dbraw/zinc/13/24/66/606132466.db2.gz XUWWOVMGOOTLHD-UHFFFAOYSA-N -1 3 363.425 3.052 20 0 FGADHM CC(C)OCc1ccc(NCc2cnc3ccc(-c4nn[n-]n4)cn23)cc1 ZINC000820147025 606132468 /nfs/dbraw/zinc/13/24/68/606132468.db2.gz XUWWOVMGOOTLHD-UHFFFAOYSA-N -1 3 363.425 3.052 20 0 FGADHM CC[C@H](Oc1cccc(C)c1)C(=O)OCc1ccc(-c2nnn[n-]2)cc1F ZINC000820939054 606140221 /nfs/dbraw/zinc/14/02/21/606140221.db2.gz PJYJQZVHVPXGTD-KRWDZBQOSA-N -1 3 370.384 3.215 20 0 FGADHM CC[C@H](Oc1cccc(C)c1)C(=O)OCc1ccc(-c2nn[n-]n2)cc1F ZINC000820939054 606140222 /nfs/dbraw/zinc/14/02/22/606140222.db2.gz PJYJQZVHVPXGTD-KRWDZBQOSA-N -1 3 370.384 3.215 20 0 FGADHM CC[C@@H](Oc1cccc(C)c1)C(=O)OCc1cccc(-c2nnn[n-]2)c1 ZINC000820938285 606140227 /nfs/dbraw/zinc/14/02/27/606140227.db2.gz HZTNCMPZLDDVLH-QGZVFWFLSA-N -1 3 352.394 3.076 20 0 FGADHM CC[C@@H](Oc1cccc(C)c1)C(=O)OCc1cccc(-c2nn[n-]n2)c1 ZINC000820938285 606140228 /nfs/dbraw/zinc/14/02/28/606140228.db2.gz HZTNCMPZLDDVLH-QGZVFWFLSA-N -1 3 352.394 3.076 20 0 FGADHM CC[C@H](Oc1ccccc1C)C(=O)OCc1ccccc1-c1nnn[n-]1 ZINC000820939779 606147937 /nfs/dbraw/zinc/14/79/37/606147937.db2.gz YAWSIPLJWDYEHV-INIZCTEOSA-N -1 3 352.394 3.076 20 0 FGADHM CC[C@H](Oc1ccccc1C)C(=O)OCc1ccccc1-c1nn[n-]n1 ZINC000820939779 606147939 /nfs/dbraw/zinc/14/79/39/606147939.db2.gz YAWSIPLJWDYEHV-INIZCTEOSA-N -1 3 352.394 3.076 20 0 FGADHM CN(Cc1ncc(-c2cccc(F)c2)o1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000821609899 606158384 /nfs/dbraw/zinc/15/83/84/606158384.db2.gz QNEFBDZFDPLAOE-UHFFFAOYSA-N -1 3 364.384 3.293 20 0 FGADHM CN(Cc1ncc(-c2cccc(F)c2)o1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000821609899 606158386 /nfs/dbraw/zinc/15/83/86/606158386.db2.gz QNEFBDZFDPLAOE-UHFFFAOYSA-N -1 3 364.384 3.293 20 0 FGADHM FC(F)(F)c1ccc(NCc2ccc3c(c2)OCO3)c(-c2nnn[n-]2)c1 ZINC000822728255 606175153 /nfs/dbraw/zinc/17/51/53/606175153.db2.gz DXWNRNYIVBUSEC-UHFFFAOYSA-N -1 3 363.299 3.226 20 0 FGADHM FC(F)(F)c1ccc(NCc2ccc3c(c2)OCO3)c(-c2nn[n-]n2)c1 ZINC000822728255 606175154 /nfs/dbraw/zinc/17/51/54/606175154.db2.gz DXWNRNYIVBUSEC-UHFFFAOYSA-N -1 3 363.299 3.226 20 0 FGADHM C[C@@H]1CCC[C@H](C)N1C(=O)CSCc1ccc(F)cc1-c1nnn[n-]1 ZINC000820697730 606179120 /nfs/dbraw/zinc/17/91/20/606179120.db2.gz LBJZKAWAVUUTJJ-TXEJJXNPSA-N -1 3 363.462 3.029 20 0 FGADHM C[C@@H]1CCC[C@H](C)N1C(=O)CSCc1ccc(F)cc1-c1nn[n-]n1 ZINC000820697730 606179121 /nfs/dbraw/zinc/17/91/21/606179121.db2.gz LBJZKAWAVUUTJJ-TXEJJXNPSA-N -1 3 363.462 3.029 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)c1ccc(OC(C)(C)C)cc1 ZINC000821699121 606185354 /nfs/dbraw/zinc/18/53/54/606185354.db2.gz CMNPVHXBUHBHRF-UHFFFAOYSA-N -1 3 368.393 3.272 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)c1ccc(OC(C)(C)C)cc1 ZINC000821699121 606185355 /nfs/dbraw/zinc/18/53/55/606185355.db2.gz CMNPVHXBUHBHRF-UHFFFAOYSA-N -1 3 368.393 3.272 20 0 FGADHM c1ccc2[nH]c(CCCNc3cc(-c4nnn[n-]4)nc4ccccc43)nc2c1 ZINC000823792008 606216154 /nfs/dbraw/zinc/21/61/54/606216154.db2.gz MLHBAEADPUJLJW-UHFFFAOYSA-N -1 3 370.420 3.336 20 0 FGADHM O=C(Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1)[C@@H]1C[C@H]1C1CC1 ZINC000823350259 606230248 /nfs/dbraw/zinc/23/02/48/606230248.db2.gz GHPDDDCWAPIDLC-JKSUJKDBSA-N -1 3 362.393 3.039 20 0 FGADHM CN(C(=O)c1cc(-c2nnn[n-]2)cn1C)c1ccccc1-c1ccccc1 ZINC000821573588 606235853 /nfs/dbraw/zinc/23/58/53/606235853.db2.gz WRAINKAVYQLUCC-UHFFFAOYSA-N -1 3 358.405 3.149 20 0 FGADHM CN(C(=O)c1cc(-c2nn[n-]n2)cn1C)c1ccccc1-c1ccccc1 ZINC000821573588 606235855 /nfs/dbraw/zinc/23/58/55/606235855.db2.gz WRAINKAVYQLUCC-UHFFFAOYSA-N -1 3 358.405 3.149 20 0 FGADHM CC(C)c1nc2ccc(NC(=O)c3cc(-c4nnn[n-]4)cn3C)cc2s1 ZINC000820203654 606236899 /nfs/dbraw/zinc/23/68/99/606236899.db2.gz XIUHZXFGBCUCFK-UHFFFAOYSA-N -1 3 367.438 3.191 20 0 FGADHM CC(C)c1nc2ccc(NC(=O)c3cc(-c4nn[n-]n4)cn3C)cc2s1 ZINC000820203654 606236901 /nfs/dbraw/zinc/23/69/01/606236901.db2.gz XIUHZXFGBCUCFK-UHFFFAOYSA-N -1 3 367.438 3.191 20 0 FGADHM CC(C)c1ccccc1N[C@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000820197287 606243417 /nfs/dbraw/zinc/24/34/17/606243417.db2.gz IOQIEDFTNSYRDS-SFHVURJKSA-N -1 3 362.437 3.208 20 0 FGADHM CC(C)c1ccccc1N[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000820197287 606243418 /nfs/dbraw/zinc/24/34/18/606243418.db2.gz IOQIEDFTNSYRDS-SFHVURJKSA-N -1 3 362.437 3.208 20 0 FGADHM Cc1cc(C)c(N[C@@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)c(C)c1 ZINC000822194200 606245413 /nfs/dbraw/zinc/24/54/13/606245413.db2.gz MSIRRKVUGNQYBM-CQSZACIVSA-N -1 3 368.466 3.071 20 0 FGADHM Cc1cc(C)c(N[C@@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)c(C)c1 ZINC000822194200 606245415 /nfs/dbraw/zinc/24/54/15/606245415.db2.gz MSIRRKVUGNQYBM-CQSZACIVSA-N -1 3 368.466 3.071 20 0 FGADHM O=C(c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1)N1CCCC1 ZINC000823487544 606245779 /nfs/dbraw/zinc/24/57/79/606245779.db2.gz DXFBFRCEXXTQDQ-UHFFFAOYSA-N -1 3 351.435 3.254 20 0 FGADHM O=C(c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1)N1CCCC1 ZINC000823487544 606245780 /nfs/dbraw/zinc/24/57/80/606245780.db2.gz DXFBFRCEXXTQDQ-UHFFFAOYSA-N -1 3 351.435 3.254 20 0 FGADHM Cc1cccc(N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)c1Cl ZINC000822323672 606249928 /nfs/dbraw/zinc/24/99/28/606249928.db2.gz MBWBHMOUXLTFKU-OAHLLOKOSA-N -1 3 368.828 3.046 20 0 FGADHM Cc1cccc(N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)c1Cl ZINC000822323672 606249929 /nfs/dbraw/zinc/24/99/29/606249929.db2.gz MBWBHMOUXLTFKU-OAHLLOKOSA-N -1 3 368.828 3.046 20 0 FGADHM CCCN(Cc1c(F)cccc1Cl)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000821099450 606254650 /nfs/dbraw/zinc/25/46/50/606254650.db2.gz INNXFLZWECDORF-UHFFFAOYSA-N -1 3 362.796 3.040 20 0 FGADHM CCCN(Cc1c(F)cccc1Cl)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000821099450 606254651 /nfs/dbraw/zinc/25/46/51/606254651.db2.gz INNXFLZWECDORF-UHFFFAOYSA-N -1 3 362.796 3.040 20 0 FGADHM C[C@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(c1ccccc1)c1ccccc1 ZINC000820385124 606255190 /nfs/dbraw/zinc/25/51/90/606255190.db2.gz PLDZPVHXWGPYDF-AWEZNQCLSA-N -1 3 372.432 3.145 20 0 FGADHM C[C@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(c1ccccc1)c1ccccc1 ZINC000820385124 606255191 /nfs/dbraw/zinc/25/51/91/606255191.db2.gz PLDZPVHXWGPYDF-AWEZNQCLSA-N -1 3 372.432 3.145 20 0 FGADHM CSc1ccc(O[C@H](C)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000821984066 606263150 /nfs/dbraw/zinc/26/31/50/606263150.db2.gz LVFPLUDTMXILLQ-SNVBAGLBSA-N -1 3 373.413 3.134 20 0 FGADHM CSc1ccc(O[C@H](C)C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000821984066 606263152 /nfs/dbraw/zinc/26/31/52/606263152.db2.gz LVFPLUDTMXILLQ-SNVBAGLBSA-N -1 3 373.413 3.134 20 0 FGADHM C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000820570478 606278430 /nfs/dbraw/zinc/27/84/30/606278430.db2.gz KMHFCZSUISAASI-ZDUSSCGKSA-N -1 3 350.426 3.198 20 0 FGADHM C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000820570478 606278431 /nfs/dbraw/zinc/27/84/31/606278431.db2.gz KMHFCZSUISAASI-ZDUSSCGKSA-N -1 3 350.426 3.198 20 0 FGADHM C[C@@]1(CCc2ccccc2)CCN(C(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820612445 606281046 /nfs/dbraw/zinc/28/10/46/606281046.db2.gz DVNGUMCKFDSPJX-OAQYLSRUSA-N -1 3 361.449 3.352 20 0 FGADHM C[C@@]1(CCc2ccccc2)CCN(C(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820612445 606281049 /nfs/dbraw/zinc/28/10/49/606281049.db2.gz DVNGUMCKFDSPJX-OAQYLSRUSA-N -1 3 361.449 3.352 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc2cc[nH]c2c1 ZINC000821122897 606281536 /nfs/dbraw/zinc/28/15/36/606281536.db2.gz BGIBZRPVYCWLIN-UHFFFAOYSA-N -1 3 361.409 3.422 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1sccc1OC ZINC000821128644 606282971 /nfs/dbraw/zinc/28/29/71/606282971.db2.gz YNINFOFNOFDLBN-UHFFFAOYSA-N -1 3 358.427 3.011 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)COc1ccccc1C ZINC000821122952 606283021 /nfs/dbraw/zinc/28/30/21/606283021.db2.gz DDKIROHYSVWHAR-UHFFFAOYSA-N -1 3 366.425 3.015 20 0 FGADHM Cc1ccc(C)c(S[C@@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)c1 ZINC000822232074 606310794 /nfs/dbraw/zinc/31/07/94/606310794.db2.gz SLILWYKCTXLYJU-CYBMUJFWSA-N -1 3 371.491 3.443 20 0 FGADHM Cc1ccc(C)c(S[C@@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)c1 ZINC000822232074 606310795 /nfs/dbraw/zinc/31/07/95/606310795.db2.gz SLILWYKCTXLYJU-CYBMUJFWSA-N -1 3 371.491 3.443 20 0 FGADHM CC(C)c1ccc(CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C2CC2)cc1 ZINC000820192793 606313328 /nfs/dbraw/zinc/31/33/28/606313328.db2.gz ZQLRFNGWDSQEQG-UHFFFAOYSA-N -1 3 350.426 3.123 20 0 FGADHM CC(C)c1ccc(CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C2CC2)cc1 ZINC000820192793 606313330 /nfs/dbraw/zinc/31/33/30/606313330.db2.gz ZQLRFNGWDSQEQG-UHFFFAOYSA-N -1 3 350.426 3.123 20 0 FGADHM C[C@H](c1ccccc1Cl)N(C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC000820570140 606316125 /nfs/dbraw/zinc/31/61/25/606316125.db2.gz DUIIYJXZCZJEKI-SNVBAGLBSA-N -1 3 356.817 3.214 20 0 FGADHM C[C@H](c1ccccc1Cl)N(C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC000820570140 606316127 /nfs/dbraw/zinc/31/61/27/606316127.db2.gz DUIIYJXZCZJEKI-SNVBAGLBSA-N -1 3 356.817 3.214 20 0 FGADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N(Cc1c(F)cccc1F)C1CCCC1 ZINC000823460055 606321257 /nfs/dbraw/zinc/32/12/57/606321257.db2.gz GWZGWCAMBLWLBK-UHFFFAOYSA-N -1 3 372.379 3.058 20 0 FGADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N(Cc1c(F)cccc1F)C1CCCC1 ZINC000823460055 606321259 /nfs/dbraw/zinc/32/12/59/606321259.db2.gz GWZGWCAMBLWLBK-UHFFFAOYSA-N -1 3 372.379 3.058 20 0 FGADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N(Cc1ccccc1Cl)C1CCCC1 ZINC000823460765 606321327 /nfs/dbraw/zinc/32/13/27/606321327.db2.gz UHRMZCKJHBTLJT-UHFFFAOYSA-N -1 3 370.844 3.433 20 0 FGADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N(Cc1ccccc1Cl)C1CCCC1 ZINC000823460765 606321328 /nfs/dbraw/zinc/32/13/28/606321328.db2.gz UHRMZCKJHBTLJT-UHFFFAOYSA-N -1 3 370.844 3.433 20 0 FGADHM C[C@@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H](C)c1ccccc1 ZINC000820555907 606326892 /nfs/dbraw/zinc/32/68/92/606326892.db2.gz QSNWDDATEWWKDD-CHWSQXEVSA-N -1 3 353.451 3.225 20 0 FGADHM C[C@@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H](C)c1ccccc1 ZINC000820555907 606326894 /nfs/dbraw/zinc/32/68/94/606326894.db2.gz QSNWDDATEWWKDD-CHWSQXEVSA-N -1 3 353.451 3.225 20 0 FGADHM CCOc1ccc(C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1OC ZINC000821417830 606340845 /nfs/dbraw/zinc/34/08/45/606340845.db2.gz TWMPUUAOQMCKBM-GFCCVEGCSA-N -1 3 368.393 3.192 20 0 FGADHM CCOc1ccc(C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1OC ZINC000821417830 606340846 /nfs/dbraw/zinc/34/08/46/606340846.db2.gz TWMPUUAOQMCKBM-GFCCVEGCSA-N -1 3 368.393 3.192 20 0 FGADHM CCO[C@@H](C(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000821346757 606342903 /nfs/dbraw/zinc/34/29/03/606342903.db2.gz PLFKBCSCXBITMK-CXAGYDPISA-N -1 3 352.394 3.249 20 0 FGADHM CCO[C@@H](C(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000821346757 606342905 /nfs/dbraw/zinc/34/29/05/606342905.db2.gz PLFKBCSCXBITMK-CXAGYDPISA-N -1 3 352.394 3.249 20 0 FGADHM Cc1ccn(-c2ccc(C(=O)O[C@H](C)c3ccc(-c4nnn[n-]4)cc3)cc2)n1 ZINC000822369721 606344962 /nfs/dbraw/zinc/34/49/62/606344962.db2.gz MMQBHRGOHQMGBU-CQSZACIVSA-N -1 3 374.404 3.279 20 0 FGADHM Cc1ccn(-c2ccc(C(=O)O[C@H](C)c3ccc(-c4nn[n-]n4)cc3)cc2)n1 ZINC000822369721 606344963 /nfs/dbraw/zinc/34/49/63/606344963.db2.gz MMQBHRGOHQMGBU-CQSZACIVSA-N -1 3 374.404 3.279 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)N[C@@H]1CCc2cc(Cl)ccc21 ZINC000823343608 606346500 /nfs/dbraw/zinc/34/65/00/606346500.db2.gz AWZALWYREWEIDA-CQSZACIVSA-N -1 3 372.791 3.468 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)N[C@@H]1CCc2cc(Cl)ccc21 ZINC000823343608 606346502 /nfs/dbraw/zinc/34/65/02/606346502.db2.gz AWZALWYREWEIDA-CQSZACIVSA-N -1 3 372.791 3.468 20 0 FGADHM COc1ccccc1C(C)(C)C(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821882899 606348045 /nfs/dbraw/zinc/34/80/45/606348045.db2.gz NCDRTRSOABYXFY-CYBMUJFWSA-N -1 3 366.421 3.457 20 0 FGADHM COc1ccccc1C(C)(C)C(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821882899 606348046 /nfs/dbraw/zinc/34/80/46/606348046.db2.gz NCDRTRSOABYXFY-CYBMUJFWSA-N -1 3 366.421 3.457 20 0 FGADHM C[C@@H](OC(=O)C(C)(C)Oc1ccc(F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820479675 606349043 /nfs/dbraw/zinc/34/90/43/606349043.db2.gz ATDOKEJQXGESAA-GFCCVEGCSA-N -1 3 370.384 3.468 20 0 FGADHM C[C@@H](OC(=O)C(C)(C)Oc1ccc(F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820479675 606349045 /nfs/dbraw/zinc/34/90/45/606349045.db2.gz ATDOKEJQXGESAA-GFCCVEGCSA-N -1 3 370.384 3.468 20 0 FGADHM C[C@H](OC(=O)[C@H]1C[C@]12CCc1ccccc12)c1ccc(-c2nnn[n-]2)cc1 ZINC000820486349 606350544 /nfs/dbraw/zinc/35/05/44/606350544.db2.gz AQDHYXICCVBKHS-NVMYHKGLSA-N -1 3 360.417 3.375 20 0 FGADHM C[C@H](OC(=O)[C@H]1C[C@]12CCc1ccccc12)c1ccc(-c2nn[n-]n2)cc1 ZINC000820486349 606350547 /nfs/dbraw/zinc/35/05/47/606350547.db2.gz AQDHYXICCVBKHS-NVMYHKGLSA-N -1 3 360.417 3.375 20 0 FGADHM Cc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)o1 ZINC000822233374 606351145 /nfs/dbraw/zinc/35/11/45/606351145.db2.gz NKYMMIXZVMGOSP-AWEZNQCLSA-N -1 3 356.361 3.276 20 0 FGADHM Cc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)o1 ZINC000822233374 606351147 /nfs/dbraw/zinc/35/11/47/606351147.db2.gz NKYMMIXZVMGOSP-AWEZNQCLSA-N -1 3 356.361 3.276 20 0 FGADHM C[C@@H](OC(=O)c1cccc(-c2cnn(C)c2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820513442 606351321 /nfs/dbraw/zinc/35/13/21/606351321.db2.gz ZXEMTCKASLHTGZ-CYBMUJFWSA-N -1 3 374.404 3.185 20 0 FGADHM C[C@@H](OC(=O)c1cccc(-c2cnn(C)c2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820513442 606351323 /nfs/dbraw/zinc/35/13/23/606351323.db2.gz ZXEMTCKASLHTGZ-CYBMUJFWSA-N -1 3 374.404 3.185 20 0 FGADHM Cc1ccc(CC[C@H](C)NC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)o1 ZINC000822234794 606351653 /nfs/dbraw/zinc/35/16/53/606351653.db2.gz HSSGPACMCXQCQE-JTQLQIEISA-N -1 3 358.377 3.050 20 0 FGADHM Cc1ccc(CC[C@H](C)NC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)o1 ZINC000822234794 606351654 /nfs/dbraw/zinc/35/16/54/606351654.db2.gz HSSGPACMCXQCQE-JTQLQIEISA-N -1 3 358.377 3.050 20 0 FGADHM C[C@@H](OC(=O)CCCOc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820498009 606354440 /nfs/dbraw/zinc/35/44/40/606354440.db2.gz XVYHZJNSXZQGPN-CQSZACIVSA-N -1 3 352.394 3.330 20 0 FGADHM C[C@@H](OC(=O)CCCOc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820498009 606354442 /nfs/dbraw/zinc/35/44/42/606354442.db2.gz XVYHZJNSXZQGPN-CQSZACIVSA-N -1 3 352.394 3.330 20 0 FGADHM CC(C)c1ncc(Cl)c(C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000820206747 606355433 /nfs/dbraw/zinc/35/54/33/606355433.db2.gz YXYIJYYADIUHST-JTQLQIEISA-N -1 3 372.816 3.352 20 0 FGADHM CC(C)c1ncc(Cl)c(C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000820206747 606355434 /nfs/dbraw/zinc/35/54/34/606355434.db2.gz YXYIJYYADIUHST-JTQLQIEISA-N -1 3 372.816 3.352 20 0 FGADHM C[C@H](Cc1ccccc1F)C(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820299215 606358677 /nfs/dbraw/zinc/35/86/77/606358677.db2.gz DZIQKFRMRDXWEJ-CHWSQXEVSA-N -1 3 354.385 3.489 20 0 FGADHM C[C@H](Cc1ccccc1F)C(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820299215 606358678 /nfs/dbraw/zinc/35/86/78/606358678.db2.gz DZIQKFRMRDXWEJ-CHWSQXEVSA-N -1 3 354.385 3.489 20 0 FGADHM C[C@@H](OC(=O)[C@H]1CCOc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000820488894 606359552 /nfs/dbraw/zinc/35/95/52/606359552.db2.gz WEXHCYXLLXEPBU-WBMJQRKESA-N -1 3 350.378 3.037 20 0 FGADHM C[C@@H](OC(=O)[C@H]1CCOc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000820488894 606359554 /nfs/dbraw/zinc/35/95/54/606359554.db2.gz WEXHCYXLLXEPBU-WBMJQRKESA-N -1 3 350.378 3.037 20 0 FGADHM Cc1ccc(C[C@@H](C)N(C)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000822234723 606359766 /nfs/dbraw/zinc/35/97/66/606359766.db2.gz FRDKIDXTFZVPFV-CYBMUJFWSA-N -1 3 368.416 3.409 20 0 FGADHM Cc1ccc(C[C@@H](C)N(C)C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000822234723 606359767 /nfs/dbraw/zinc/35/97/67/606359767.db2.gz FRDKIDXTFZVPFV-CYBMUJFWSA-N -1 3 368.416 3.409 20 0 FGADHM CS/C=C/C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821955725 606361049 /nfs/dbraw/zinc/36/10/49/606361049.db2.gz AEFNHYXVMXRHBQ-MDZDMXLPSA-N -1 3 353.407 3.474 20 0 FGADHM CS/C=C/C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821955725 606361051 /nfs/dbraw/zinc/36/10/51/606361051.db2.gz AEFNHYXVMXRHBQ-MDZDMXLPSA-N -1 3 353.407 3.474 20 0 FGADHM CSCCC(=O)Oc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821962759 606361161 /nfs/dbraw/zinc/36/11/61/606361161.db2.gz WLBVWSJNLFGKIQ-UHFFFAOYSA-N -1 3 356.407 3.318 20 0 FGADHM CSCCC(=O)Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821962759 606361162 /nfs/dbraw/zinc/36/11/62/606361162.db2.gz WLBVWSJNLFGKIQ-UHFFFAOYSA-N -1 3 356.407 3.318 20 0 FGADHM CC[C@H](Oc1ccccc1Cl)C(=O)Nc1sccc1-c1nnn[n-]1 ZINC000820939279 606372233 /nfs/dbraw/zinc/37/22/33/606372233.db2.gz SHVBTKIBCGGIBM-NSHDSACASA-N -1 3 363.830 3.378 20 0 FGADHM CC[C@H](Oc1ccccc1Cl)C(=O)Nc1sccc1-c1nn[n-]n1 ZINC000820939279 606372234 /nfs/dbraw/zinc/37/22/34/606372234.db2.gz SHVBTKIBCGGIBM-NSHDSACASA-N -1 3 363.830 3.378 20 0 FGADHM CCS[C@@H]1CCC[C@H](NC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000821455828 606384744 /nfs/dbraw/zinc/38/47/44/606384744.db2.gz LYGROZKFMLPWCC-UHOFOFEASA-N -1 3 374.514 3.291 20 0 FGADHM CCS[C@@H]1CCC[C@H](NC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000821455828 606384745 /nfs/dbraw/zinc/38/47/45/606384745.db2.gz LYGROZKFMLPWCC-UHOFOFEASA-N -1 3 374.514 3.291 20 0 FGADHM CCCCO[C@@H]1C[C@@H](NC(=S)Nc2ccccc2-c2nnn[n-]2)C1(C)C ZINC000821072970 606392401 /nfs/dbraw/zinc/39/24/01/606392401.db2.gz XDVMXZPSJBWLHU-HUUCEWRRSA-N -1 3 374.514 3.137 20 0 FGADHM CCCCO[C@@H]1C[C@@H](NC(=S)Nc2ccccc2-c2nn[n-]n2)C1(C)C ZINC000821072970 606392403 /nfs/dbraw/zinc/39/24/03/606392403.db2.gz XDVMXZPSJBWLHU-HUUCEWRRSA-N -1 3 374.514 3.137 20 0 FGADHM C[C@H](OC(=O)c1c(Cl)nc2ccccn21)c1ccc(-c2nnn[n-]2)cc1 ZINC000820502818 606397722 /nfs/dbraw/zinc/39/77/22/606397722.db2.gz WDEXKUGTXGIDRN-JTQLQIEISA-N -1 3 368.784 3.086 20 0 FGADHM C[C@H](OC(=O)c1c(Cl)nc2ccccn21)c1ccc(-c2nn[n-]n2)cc1 ZINC000820502818 606397724 /nfs/dbraw/zinc/39/77/24/606397724.db2.gz WDEXKUGTXGIDRN-JTQLQIEISA-N -1 3 368.784 3.086 20 0 FGADHM C[C@H](OC(=O)c1cccn1Cc1ccncc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820513008 606398254 /nfs/dbraw/zinc/39/82/54/606398254.db2.gz SBKHMDLBMZYCQM-AWEZNQCLSA-N -1 3 374.404 3.030 20 0 FGADHM C[C@H](OC(=O)c1cccn1Cc1ccncc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820513008 606398255 /nfs/dbraw/zinc/39/82/55/606398255.db2.gz SBKHMDLBMZYCQM-AWEZNQCLSA-N -1 3 374.404 3.030 20 0 FGADHM CCc1ccccc1OCC(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821496433 606412287 /nfs/dbraw/zinc/41/22/87/606412287.db2.gz FVRIIPCQYIHWSW-UHFFFAOYSA-N -1 3 371.828 3.124 20 0 FGADHM CCc1ccccc1OCC(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821496433 606412289 /nfs/dbraw/zinc/41/22/89/606412289.db2.gz FVRIIPCQYIHWSW-UHFFFAOYSA-N -1 3 371.828 3.124 20 0 FGADHM COc1ccc([C@@H](C)Nc2c(-c3nnn[n-]3)cnc3ccccc32)cc1F ZINC000821777658 606422679 /nfs/dbraw/zinc/42/26/79/606422679.db2.gz KNVFSUCKPJYUOV-LLVKDONJSA-N -1 3 364.384 3.158 20 0 FGADHM COc1ccc([C@@H](C)Nc2c(-c3nn[n-]n3)cnc3ccccc32)cc1F ZINC000821777658 606422681 /nfs/dbraw/zinc/42/26/81/606422681.db2.gz KNVFSUCKPJYUOV-LLVKDONJSA-N -1 3 364.384 3.158 20 0 FGADHM CC(C)[C@@H]1OCCC[C@@H]1CNc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000820045955 606427036 /nfs/dbraw/zinc/42/70/36/606427036.db2.gz OZIVMRKVKJDSJI-ACJLOTCBSA-N -1 3 352.442 3.278 20 0 FGADHM CC(C)[C@@H]1OCCC[C@@H]1CNc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000820045955 606427038 /nfs/dbraw/zinc/42/70/38/606427038.db2.gz OZIVMRKVKJDSJI-ACJLOTCBSA-N -1 3 352.442 3.278 20 0 FGADHM O=C(CCn1cccc1)Nc1sc(-c2ccccc2)cc1-c1nnn[n-]1 ZINC000822986313 606429278 /nfs/dbraw/zinc/42/92/78/606429278.db2.gz CZPLQMXAEKOXPV-UHFFFAOYSA-N -1 3 364.434 3.426 20 0 FGADHM O=C(CCn1cccc1)Nc1sc(-c2ccccc2)cc1-c1nn[n-]n1 ZINC000822986313 606429280 /nfs/dbraw/zinc/42/92/80/606429280.db2.gz CZPLQMXAEKOXPV-UHFFFAOYSA-N -1 3 364.434 3.426 20 0 FGADHM Fc1ccc(NCCC2CCN(CC(F)(F)F)CC2)c(-c2nnn[n-]2)c1 ZINC000822778640 606434980 /nfs/dbraw/zinc/43/49/80/606434980.db2.gz LFJODSKCLNHABZ-UHFFFAOYSA-N -1 3 372.370 3.082 20 0 FGADHM Fc1ccc(NCCC2CCN(CC(F)(F)F)CC2)c(-c2nn[n-]n2)c1 ZINC000822778640 606434981 /nfs/dbraw/zinc/43/49/81/606434981.db2.gz LFJODSKCLNHABZ-UHFFFAOYSA-N -1 3 372.370 3.082 20 0 FGADHM CCC(C)(C)NC(=O)c1ccc(NCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000820847689 606448618 /nfs/dbraw/zinc/44/86/18/606448618.db2.gz IXSVTBRTUJRYFP-UHFFFAOYSA-N -1 3 364.453 3.397 20 0 FGADHM CCC(C)(C)NC(=O)c1ccc(NCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000820847689 606448620 /nfs/dbraw/zinc/44/86/20/606448620.db2.gz IXSVTBRTUJRYFP-UHFFFAOYSA-N -1 3 364.453 3.397 20 0 FGADHM Fc1ccc(-c2nnn[n-]2)cc1CNc1ccc(OC(F)F)c(F)c1 ZINC000822761338 606449222 /nfs/dbraw/zinc/44/92/22/606449222.db2.gz JBWLETFPGAFNRR-UHFFFAOYSA-N -1 3 353.279 3.358 20 0 FGADHM Fc1ccc(-c2nn[n-]n2)cc1CNc1ccc(OC(F)F)c(F)c1 ZINC000822761338 606449224 /nfs/dbraw/zinc/44/92/24/606449224.db2.gz JBWLETFPGAFNRR-UHFFFAOYSA-N -1 3 353.279 3.358 20 0 FGADHM Cc1cc([C@@H](C)NC(=O)C=Cc2ccccc2-c2nnn[n-]2)ccc1F ZINC000822191801 606449898 /nfs/dbraw/zinc/44/98/98/606449898.db2.gz RGNWTZWRKGQWJS-CHOZFAJLSA-N -1 3 351.385 3.205 20 0 FGADHM Cc1cc([C@@H](C)NC(=O)C=Cc2ccccc2-c2nn[n-]n2)ccc1F ZINC000822191801 606449900 /nfs/dbraw/zinc/44/99/00/606449900.db2.gz RGNWTZWRKGQWJS-CHOZFAJLSA-N -1 3 351.385 3.205 20 0 FGADHM c1cnn(-c2ccc(CNc3cc(-c4nnn[n-]4)c4ccccc4n3)cc2)c1 ZINC000823792619 606454369 /nfs/dbraw/zinc/45/43/69/606454369.db2.gz ZRYUBKIKNUCTTE-UHFFFAOYSA-N -1 3 368.404 3.213 20 0 FGADHM c1cnn(-c2ccc(CNc3cc(-c4nn[n-]n4)c4ccccc4n3)cc2)c1 ZINC000823792619 606454370 /nfs/dbraw/zinc/45/43/70/606454370.db2.gz ZRYUBKIKNUCTTE-UHFFFAOYSA-N -1 3 368.404 3.213 20 0 FGADHM C[C@@H](Nc1cc(-c2nnn[n-]2)c2ccccc2n1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000820451071 606454954 /nfs/dbraw/zinc/45/49/54/606454954.db2.gz SGGYUNGOUYUJTM-SNVBAGLBSA-N -1 3 372.392 3.170 20 0 FGADHM C[C@@H](Nc1cc(-c2nn[n-]n2)c2ccccc2n1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000820451071 606454955 /nfs/dbraw/zinc/45/49/55/606454955.db2.gz SGGYUNGOUYUJTM-SNVBAGLBSA-N -1 3 372.392 3.170 20 0 FGADHM C[C@H](Nc1ccc(Cl)cc1-c1nnn[n-]1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000820456514 606455325 /nfs/dbraw/zinc/45/53/25/606455325.db2.gz UUSRRZVKNATSMI-QMMMGPOBSA-N -1 3 355.789 3.275 20 0 FGADHM C[C@H](Nc1ccc(Cl)cc1-c1nn[n-]n1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000820456514 606455327 /nfs/dbraw/zinc/45/53/27/606455327.db2.gz UUSRRZVKNATSMI-QMMMGPOBSA-N -1 3 355.789 3.275 20 0 FGADHM O=C(OCc1ccccc1-c1nnn[n-]1)c1ccc2ccc(Cl)cc2n1 ZINC000823431289 606465841 /nfs/dbraw/zinc/46/58/41/606465841.db2.gz PIPMUBAUMCNREA-UHFFFAOYSA-N -1 3 365.780 3.425 20 0 FGADHM O=C(OCc1ccccc1-c1nn[n-]n1)c1ccc2ccc(Cl)cc2n1 ZINC000823431289 606465842 /nfs/dbraw/zinc/46/58/42/606465842.db2.gz PIPMUBAUMCNREA-UHFFFAOYSA-N -1 3 365.780 3.425 20 0 FGADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)O[C@H](C1CCCC1)C(F)(F)F ZINC000822977862 606470765 /nfs/dbraw/zinc/47/07/65/606470765.db2.gz AHVZHQHTOVNHNJ-OAHLLOKOSA-N -1 3 368.359 3.464 20 0 FGADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)O[C@H](C1CCCC1)C(F)(F)F ZINC000822977862 606470767 /nfs/dbraw/zinc/47/07/67/606470767.db2.gz AHVZHQHTOVNHNJ-OAHLLOKOSA-N -1 3 368.359 3.464 20 0 FGADHM FC(F)Oc1cc(-c2nnn[n-]2)ccc1CN1CCc2sccc2C1 ZINC000822731356 606482568 /nfs/dbraw/zinc/48/25/68/606482568.db2.gz CGNSMTKJSKKKNF-UHFFFAOYSA-N -1 3 363.393 3.088 20 0 FGADHM FC(F)Oc1cc(-c2nn[n-]n2)ccc1CN1CCc2sccc2C1 ZINC000822731356 606482570 /nfs/dbraw/zinc/48/25/70/606482570.db2.gz CGNSMTKJSKKKNF-UHFFFAOYSA-N -1 3 363.393 3.088 20 0 FGADHM O=C(N[C@H]1CCSc2ccc(F)cc21)c1cc(-c2nnn[n-]2)cs1 ZINC000823161531 606485935 /nfs/dbraw/zinc/48/59/35/606485935.db2.gz NUQVGZDCWUKDMK-NSHDSACASA-N -1 3 361.427 3.034 20 0 FGADHM O=C(N[C@H]1CCSc2ccc(F)cc21)c1cc(-c2nn[n-]n2)cs1 ZINC000823161531 606485936 /nfs/dbraw/zinc/48/59/36/606485936.db2.gz NUQVGZDCWUKDMK-NSHDSACASA-N -1 3 361.427 3.034 20 0 FGADHM O=C(Nc1ccccc1OC(F)(F)F)c1cc(-c2nnn[n-]2)cs1 ZINC000823373208 606486428 /nfs/dbraw/zinc/48/64/28/606486428.db2.gz SZVIADRNGMNKGG-UHFFFAOYSA-N -1 3 355.301 3.079 20 0 FGADHM O=C(Nc1ccccc1OC(F)(F)F)c1cc(-c2nn[n-]n2)cs1 ZINC000823373208 606486430 /nfs/dbraw/zinc/48/64/30/606486430.db2.gz SZVIADRNGMNKGG-UHFFFAOYSA-N -1 3 355.301 3.079 20 0 FGADHM O=C(NCc1c(Cl)cccc1Cl)c1cc(-c2nnn[n-]2)cs1 ZINC000823229415 606492628 /nfs/dbraw/zinc/49/26/28/606492628.db2.gz QJUZEPIBEWNZRT-UHFFFAOYSA-N -1 3 354.222 3.165 20 0 FGADHM O=C(NCc1c(Cl)cccc1Cl)c1cc(-c2nn[n-]n2)cs1 ZINC000823229415 606492629 /nfs/dbraw/zinc/49/26/29/606492629.db2.gz QJUZEPIBEWNZRT-UHFFFAOYSA-N -1 3 354.222 3.165 20 0 FGADHM C[C@H](NC(=O)c1cc(-c2nnn[n-]2)cs1)c1ccccc1C(F)(F)F ZINC000820390325 606496609 /nfs/dbraw/zinc/49/66/09/606496609.db2.gz HFLCPYMKZMHBGK-QMMMGPOBSA-N -1 3 367.356 3.438 20 0 FGADHM C[C@H](NC(=O)c1cc(-c2nn[n-]n2)cs1)c1ccccc1C(F)(F)F ZINC000820390325 606496611 /nfs/dbraw/zinc/49/66/11/606496611.db2.gz HFLCPYMKZMHBGK-QMMMGPOBSA-N -1 3 367.356 3.438 20 0 FGADHM CN(C(=O)Cc1cccc(-c2nnn[n-]2)c1)C1CCC(C(C)(C)C)CC1 ZINC000821570768 606505258 /nfs/dbraw/zinc/50/52/58/606505258.db2.gz KFRRFULHZHQJSU-UHFFFAOYSA-N -1 3 355.486 3.473 20 0 FGADHM CN(C(=O)Cc1cccc(-c2nn[n-]n2)c1)C1CCC(C(C)(C)C)CC1 ZINC000821570768 606505261 /nfs/dbraw/zinc/50/52/61/606505261.db2.gz KFRRFULHZHQJSU-UHFFFAOYSA-N -1 3 355.486 3.473 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)NCc1c(Cl)cccc1Cl ZINC000823098844 606506045 /nfs/dbraw/zinc/50/60/45/606506045.db2.gz SOKDLLHGEAJNHG-UHFFFAOYSA-N -1 3 362.220 3.032 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)NCc1c(Cl)cccc1Cl ZINC000823098844 606506047 /nfs/dbraw/zinc/50/60/47/606506047.db2.gz SOKDLLHGEAJNHG-UHFFFAOYSA-N -1 3 362.220 3.032 20 0 FGADHM O=C(NCC1(c2ccc(Cl)cc2)CC1)c1cc(-c2nnn[n-]2)cs1 ZINC000823170760 606506654 /nfs/dbraw/zinc/50/66/54/606506654.db2.gz HVXJLCIKWAOIFI-UHFFFAOYSA-N -1 3 359.842 3.043 20 0 FGADHM O=C(NCC1(c2ccc(Cl)cc2)CC1)c1cc(-c2nn[n-]n2)cs1 ZINC000823170760 606506655 /nfs/dbraw/zinc/50/66/55/606506655.db2.gz HVXJLCIKWAOIFI-UHFFFAOYSA-N -1 3 359.842 3.043 20 0 FGADHM CC[C@H](Cc1ccc(Cl)cc1)NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820913320 606513749 /nfs/dbraw/zinc/51/37/49/606513749.db2.gz FKTNYLWHGMBHRB-CYBMUJFWSA-N -1 3 361.858 3.333 20 0 FGADHM CC[C@H](Cc1ccc(Cl)cc1)NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820913320 606513751 /nfs/dbraw/zinc/51/37/51/606513751.db2.gz FKTNYLWHGMBHRB-CYBMUJFWSA-N -1 3 361.858 3.333 20 0 FGADHM C[C@H](NC(=O)c1sccc1-c1nnn[n-]1)c1c(F)cccc1Cl ZINC000820404390 606528996 /nfs/dbraw/zinc/52/89/96/606528996.db2.gz UMFMAHQCLKAGTN-ZETCQYMHSA-N -1 3 351.794 3.212 20 0 FGADHM C[C@H](NC(=O)c1sccc1-c1nn[n-]n1)c1c(F)cccc1Cl ZINC000820404390 606528998 /nfs/dbraw/zinc/52/89/98/606528998.db2.gz UMFMAHQCLKAGTN-ZETCQYMHSA-N -1 3 351.794 3.212 20 0 FGADHM O=C(NCc1ccc(OC2CCCC2)cc1)c1cc(-c2nnn[n-]2)cs1 ZINC000823254608 606556250 /nfs/dbraw/zinc/55/62/50/606556250.db2.gz ZFEIZODNWOFHGQ-UHFFFAOYSA-N -1 3 369.450 3.180 20 0 FGADHM O=C(NCc1ccc(OC2CCCC2)cc1)c1cc(-c2nn[n-]n2)cs1 ZINC000823254608 606556252 /nfs/dbraw/zinc/55/62/52/606556252.db2.gz ZFEIZODNWOFHGQ-UHFFFAOYSA-N -1 3 369.450 3.180 20 0 FGADHM C[C@H](OC(=O)c1cc(-c2nnn[n-]2)cs1)C(=O)c1ccc(Cl)cc1 ZINC000820508829 606565427 /nfs/dbraw/zinc/56/54/27/606565427.db2.gz YNZQMAPVZIZRTI-QMMMGPOBSA-N -1 3 362.798 3.010 20 0 FGADHM C[C@H](OC(=O)c1cc(-c2nn[n-]n2)cs1)C(=O)c1ccc(Cl)cc1 ZINC000820508829 606565428 /nfs/dbraw/zinc/56/54/28/606565428.db2.gz YNZQMAPVZIZRTI-QMMMGPOBSA-N -1 3 362.798 3.010 20 0 FGADHM CC[C@H](NC(=O)Cc1cccc(-c2nnn[n-]2)c1)C(C)(C)c1ccccc1 ZINC000820913249 606571027 /nfs/dbraw/zinc/57/10/27/606571027.db2.gz DRNKFZCHONDWHJ-SFHVURJKSA-N -1 3 363.465 3.282 20 0 FGADHM CC[C@H](NC(=O)Cc1cccc(-c2nn[n-]n2)c1)C(C)(C)c1ccccc1 ZINC000820913249 606571029 /nfs/dbraw/zinc/57/10/29/606571029.db2.gz DRNKFZCHONDWHJ-SFHVURJKSA-N -1 3 363.465 3.282 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H](C)c1ccc(F)c(C)c1 ZINC000821762434 606576660 /nfs/dbraw/zinc/57/66/60/606576660.db2.gz LGSCJJKVZAJKDZ-NSHDSACASA-N -1 3 370.388 3.206 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@H](C)c1ccc(F)c(C)c1 ZINC000821762434 606576662 /nfs/dbraw/zinc/57/66/62/606576662.db2.gz LGSCJJKVZAJKDZ-NSHDSACASA-N -1 3 370.388 3.206 20 0 FGADHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)N(CC1CCC1)c1ccccc1 ZINC000823009510 606582988 /nfs/dbraw/zinc/58/29/88/606582988.db2.gz LGTQAGMEGRALEW-UHFFFAOYSA-N -1 3 362.437 3.112 20 0 FGADHM CC(C)(C)C(=O)CSCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000819892169 606590275 /nfs/dbraw/zinc/59/02/75/606590275.db2.gz XKYSUKJOEKLPHF-UHFFFAOYSA-N -1 3 356.398 3.317 20 0 FGADHM CC(C)(C)C(=O)CSCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000819892169 606590276 /nfs/dbraw/zinc/59/02/76/606590276.db2.gz XKYSUKJOEKLPHF-UHFFFAOYSA-N -1 3 356.398 3.317 20 0 FGADHM COc1cccc([C@@H](C)CC(=O)N(C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000821858915 606602543 /nfs/dbraw/zinc/60/25/43/606602543.db2.gz INDHLQPKFRZYJE-ZDUSSCGKSA-N -1 3 351.410 3.032 20 0 FGADHM COc1cccc([C@@H](C)CC(=O)N(C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000821858915 606602545 /nfs/dbraw/zinc/60/25/45/606602545.db2.gz INDHLQPKFRZYJE-ZDUSSCGKSA-N -1 3 351.410 3.032 20 0 FGADHM COc1cccc([C@H](C)CC(=O)OCc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000821858932 606615517 /nfs/dbraw/zinc/61/55/17/606615517.db2.gz ITDCNIWKELTOPN-GFCCVEGCSA-N -1 3 370.384 3.251 20 0 FGADHM COc1cccc([C@H](C)CC(=O)OCc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000821858932 606615518 /nfs/dbraw/zinc/61/55/18/606615518.db2.gz ITDCNIWKELTOPN-GFCCVEGCSA-N -1 3 370.384 3.251 20 0 FGADHM O=C(c1ccc(-c2nnn[n-]2)cc1)N(CC(F)F)c1cccc(Cl)c1 ZINC000823472445 606623710 /nfs/dbraw/zinc/62/37/10/606623710.db2.gz MQJMZYHFHMIDTO-UHFFFAOYSA-N -1 3 363.755 3.432 20 0 FGADHM O=C(c1ccc(-c2nn[n-]n2)cc1)N(CC(F)F)c1cccc(Cl)c1 ZINC000823472445 606623712 /nfs/dbraw/zinc/62/37/12/606623712.db2.gz MQJMZYHFHMIDTO-UHFFFAOYSA-N -1 3 363.755 3.432 20 0 FGADHM COc1ccc([C@@H](C)CC(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821778341 606626338 /nfs/dbraw/zinc/62/63/38/606626338.db2.gz YRFSGEWHHHKQFD-KBPBESRZSA-N -1 3 365.437 3.246 20 0 FGADHM COc1ccc([C@@H](C)CC(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821778341 606626340 /nfs/dbraw/zinc/62/63/40/606626340.db2.gz YRFSGEWHHHKQFD-KBPBESRZSA-N -1 3 365.437 3.246 20 0 FGADHM C[C@@H](C(=O)NCc1ccc(-c2nnn[n-]2)cc1F)c1ccc(Cl)s1 ZINC000819866729 606630959 /nfs/dbraw/zinc/63/09/59/606630959.db2.gz PBDRPEARITYLRR-MRVPVSSYSA-N -1 3 365.821 3.141 20 0 FGADHM C[C@@H](C(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1ccc(Cl)s1 ZINC000819866729 606630961 /nfs/dbraw/zinc/63/09/61/606630961.db2.gz PBDRPEARITYLRR-MRVPVSSYSA-N -1 3 365.821 3.141 20 0 FGADHM O=C1[C@H](Sc2ccc(Cl)cc2-c2nnn[n-]2)CCN1c1ccccc1 ZINC000823511914 606631476 /nfs/dbraw/zinc/63/14/76/606631476.db2.gz IXDQPHNASCBVGM-OAHLLOKOSA-N -1 3 371.853 3.418 20 0 FGADHM O=C1[C@H](Sc2ccc(Cl)cc2-c2nn[n-]n2)CCN1c1ccccc1 ZINC000823511914 606631477 /nfs/dbraw/zinc/63/14/77/606631477.db2.gz IXDQPHNASCBVGM-OAHLLOKOSA-N -1 3 371.853 3.418 20 0 FGADHM Cc1cnc([C@H](C)NC(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)s1 ZINC000822389472 606632514 /nfs/dbraw/zinc/63/25/14/606632514.db2.gz XVMVVWAEKQPLOS-JTQLQIEISA-N -1 3 374.474 3.071 20 0 FGADHM Cc1cnc([C@H](C)NC(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)s1 ZINC000822389472 606632517 /nfs/dbraw/zinc/63/25/17/606632517.db2.gz XVMVVWAEKQPLOS-JTQLQIEISA-N -1 3 374.474 3.071 20 0 FGADHM CC(C)c1nc(CNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)no1 ZINC000820201963 606656058 /nfs/dbraw/zinc/65/60/58/606656058.db2.gz CPVBPHOJVYHMFI-UHFFFAOYSA-N -1 3 353.308 3.004 20 0 FGADHM CC(C)c1nc(CNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)no1 ZINC000820201963 606656059 /nfs/dbraw/zinc/65/60/59/606656059.db2.gz CPVBPHOJVYHMFI-UHFFFAOYSA-N -1 3 353.308 3.004 20 0 FGADHM Fc1cccc(F)c1NCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000822791216 606656654 /nfs/dbraw/zinc/65/66/54/606656654.db2.gz FHPGNFLDWOVNFP-UHFFFAOYSA-N -1 3 353.279 3.358 20 0 FGADHM Fc1cccc(F)c1NCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000822791216 606656655 /nfs/dbraw/zinc/65/66/55/606656655.db2.gz FHPGNFLDWOVNFP-UHFFFAOYSA-N -1 3 353.279 3.358 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@@H]2CCC[C@H]21 ZINC000821406986 606657447 /nfs/dbraw/zinc/65/74/47/606657447.db2.gz MXLDODIPXYDLAF-SWLSCSKDSA-N -1 3 356.430 3.062 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@@H]2CCC[C@H]21 ZINC000821406986 606657448 /nfs/dbraw/zinc/65/74/48/606657448.db2.gz MXLDODIPXYDLAF-SWLSCSKDSA-N -1 3 356.430 3.062 20 0 FGADHM O=C(N[C@@H]1CC[C@H]2CCCC[C@H]2C1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823145647 606663762 /nfs/dbraw/zinc/66/37/62/606663762.db2.gz SEULYSYESKKLAA-NTZNESFSSA-N -1 3 361.396 3.234 20 0 FGADHM O=C(N[C@@H]1CC[C@H]2CCCC[C@H]2C1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823145647 606663763 /nfs/dbraw/zinc/66/37/63/606663763.db2.gz SEULYSYESKKLAA-NTZNESFSSA-N -1 3 361.396 3.234 20 0 FGADHM CCN(C(=O)Cc1cccc(F)c1F)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821153873 606670348 /nfs/dbraw/zinc/67/03/48/606670348.db2.gz GDAQQQBFGDZNLM-LBPRGKRZSA-N -1 3 371.391 3.297 20 0 FGADHM CCN(C(=O)Cc1cccc(F)c1F)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821153873 606670349 /nfs/dbraw/zinc/67/03/49/606670349.db2.gz GDAQQQBFGDZNLM-LBPRGKRZSA-N -1 3 371.391 3.297 20 0 FGADHM CCN(C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1cccc(Cl)c1 ZINC000821155349 606670971 /nfs/dbraw/zinc/67/09/71/606670971.db2.gz YJUDJRFDIHDLSI-UHFFFAOYSA-N -1 3 363.755 3.465 20 0 FGADHM CCN(C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1cccc(Cl)c1 ZINC000821155349 606670972 /nfs/dbraw/zinc/67/09/72/606670972.db2.gz YJUDJRFDIHDLSI-UHFFFAOYSA-N -1 3 363.755 3.465 20 0 FGADHM CC(C)[C@H]1CC[C@@H](C)C[C@H]1NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820685753 606672021 /nfs/dbraw/zinc/67/20/21/606672021.db2.gz VBRPNJWNRKLWLG-IXPVHAAZSA-N -1 3 363.412 3.336 20 0 FGADHM CC(C)[C@H]1CC[C@@H](C)C[C@H]1NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820685753 606672022 /nfs/dbraw/zinc/67/20/22/606672022.db2.gz VBRPNJWNRKLWLG-IXPVHAAZSA-N -1 3 363.412 3.336 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)CCO[C@H](C)CC(C)C ZINC000821407073 606673560 /nfs/dbraw/zinc/67/35/60/606673560.db2.gz OCVKPVZQMNHXCQ-CYBMUJFWSA-N -1 3 361.446 3.045 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)CCO[C@H](C)CC(C)C ZINC000821407073 606673561 /nfs/dbraw/zinc/67/35/61/606673561.db2.gz OCVKPVZQMNHXCQ-CYBMUJFWSA-N -1 3 361.446 3.045 20 0 FGADHM C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820664768 606679804 /nfs/dbraw/zinc/67/98/04/606679804.db2.gz BTTVMTLFLRLCIC-RISCZKNCSA-N -1 3 369.375 3.163 20 0 FGADHM C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820664768 606679805 /nfs/dbraw/zinc/67/98/05/606679805.db2.gz BTTVMTLFLRLCIC-RISCZKNCSA-N -1 3 369.375 3.163 20 0 FGADHM Cc1ccc([C@H](C)NC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)cc1F ZINC000822229388 606697343 /nfs/dbraw/zinc/69/73/43/606697343.db2.gz TUXQRRHXTONOTH-JTQLQIEISA-N -1 3 358.352 3.336 20 0 FGADHM Cc1ccc([C@H](C)NC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)cc1F ZINC000822229388 606697344 /nfs/dbraw/zinc/69/73/44/606697344.db2.gz TUXQRRHXTONOTH-JTQLQIEISA-N -1 3 358.352 3.336 20 0 FGADHM COc1cccc(Br)c1OCc1ccc(-c2nnn[n-]2)cc1 ZINC000821854630 606707758 /nfs/dbraw/zinc/70/77/58/606707758.db2.gz PQXICGFCCJFLPW-UHFFFAOYSA-N -1 3 361.199 3.217 20 0 FGADHM COc1cccc(Br)c1OCc1ccc(-c2nn[n-]n2)cc1 ZINC000821854630 606707761 /nfs/dbraw/zinc/70/77/61/606707761.db2.gz PQXICGFCCJFLPW-UHFFFAOYSA-N -1 3 361.199 3.217 20 0 FGADHM CC1(C)C[C@H](NC(=O)Nc2cccc(-c3nnn[n-]3)c2)c2ccccc2O1 ZINC000820590504 606722466 /nfs/dbraw/zinc/72/24/66/606722466.db2.gz VEWQHDCNTUEWOF-HNNXBMFYSA-N -1 3 364.409 3.291 20 0 FGADHM CC1(C)C[C@H](NC(=O)Nc2cccc(-c3nn[n-]n3)c2)c2ccccc2O1 ZINC000820590504 606722469 /nfs/dbraw/zinc/72/24/69/606722469.db2.gz VEWQHDCNTUEWOF-HNNXBMFYSA-N -1 3 364.409 3.291 20 0 FGADHM Cn1cc(CCC(=O)OCc2ccc(-c3nnn[n-]3)cc2)c2ccccc21 ZINC000822679870 606749237 /nfs/dbraw/zinc/74/92/37/606749237.db2.gz JQZNNOXCSQYXOY-UHFFFAOYSA-N -1 3 361.405 3.034 20 0 FGADHM Cn1cc(CCC(=O)OCc2ccc(-c3nn[n-]n3)cc2)c2ccccc21 ZINC000822679870 606749238 /nfs/dbraw/zinc/74/92/38/606749238.db2.gz JQZNNOXCSQYXOY-UHFFFAOYSA-N -1 3 361.405 3.034 20 0 FGADHM CC[C@H](OC1CCCCC1)C(=O)OCc1ccc(-c2nn[n-]n2)cc1F ZINC000820939640 606767917 /nfs/dbraw/zinc/76/79/17/606767917.db2.gz WPRRKPOWGSVKNL-INIZCTEOSA-N -1 3 362.405 3.177 20 0 FGADHM CC[C@H](OC1CCCCC1)C(=O)OCc1ccc(-c2nnn[n-]2)cc1F ZINC000820939640 606767915 /nfs/dbraw/zinc/76/79/15/606767915.db2.gz WPRRKPOWGSVKNL-INIZCTEOSA-N -1 3 362.405 3.177 20 0 FGADHM CC[C@H](OC1CCCCC1)C(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000820939768 606768158 /nfs/dbraw/zinc/76/81/58/606768158.db2.gz XYQTURHAKWDALC-INIZCTEOSA-N -1 3 362.405 3.177 20 0 FGADHM CC[C@H](OC1CCCCC1)C(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000820939768 606768160 /nfs/dbraw/zinc/76/81/60/606768160.db2.gz XYQTURHAKWDALC-INIZCTEOSA-N -1 3 362.405 3.177 20 0 FGADHM CC[C@@H]1CC[C@@H](C(=O)Oc2ccc(-c3ccc(-c4nnn[n-]4)cc3)cc2)O1 ZINC000820971570 606775592 /nfs/dbraw/zinc/77/55/92/606775592.db2.gz DFYRKWOUDJBYLM-AEFFLSMTSA-N -1 3 364.405 3.397 20 0 FGADHM CC[C@@H]1CC[C@@H](C(=O)Oc2ccc(-c3ccc(-c4nn[n-]n4)cc3)cc2)O1 ZINC000820971570 606775593 /nfs/dbraw/zinc/77/55/93/606775593.db2.gz DFYRKWOUDJBYLM-AEFFLSMTSA-N -1 3 364.405 3.397 20 0 FGADHM Cc1ccc(Cl)c(N[C@@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)c1 ZINC000822239739 606776974 /nfs/dbraw/zinc/77/69/74/606776974.db2.gz BZMFZHOTMDJXIK-GFCCVEGCSA-N -1 3 374.857 3.107 20 0 FGADHM Cc1ccc(Cl)c(N[C@@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)c1 ZINC000822239739 606776976 /nfs/dbraw/zinc/77/69/76/606776976.db2.gz BZMFZHOTMDJXIK-GFCCVEGCSA-N -1 3 374.857 3.107 20 0 FGADHM CC(C)N(C(=O)COc1cc(Cl)ccc1-c1nnn[n-]1)c1ccccc1 ZINC000820112546 606780065 /nfs/dbraw/zinc/78/00/65/606780065.db2.gz XYIJNTVKUFFIRT-UHFFFAOYSA-N -1 3 371.828 3.341 20 0 FGADHM CC(C)N(C(=O)COc1cc(Cl)ccc1-c1nn[n-]n1)c1ccccc1 ZINC000820112546 606780066 /nfs/dbraw/zinc/78/00/66/606780066.db2.gz XYIJNTVKUFFIRT-UHFFFAOYSA-N -1 3 371.828 3.341 20 0 FGADHM CC(C)c1cccc(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)n1 ZINC000820192334 606786757 /nfs/dbraw/zinc/78/67/57/606786757.db2.gz KEOVOCBGJVATFT-UHFFFAOYSA-N -1 3 362.437 3.190 20 0 FGADHM CC(C)c1cccc(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)n1 ZINC000820192334 606786758 /nfs/dbraw/zinc/78/67/58/606786758.db2.gz KEOVOCBGJVATFT-UHFFFAOYSA-N -1 3 362.437 3.190 20 0 FGADHM O=C(Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1)[C@@H]1CCSC1 ZINC000823356525 606800438 /nfs/dbraw/zinc/80/04/38/606800438.db2.gz OFXHARVDMRJAPZ-GFCCVEGCSA-N -1 3 367.434 3.351 20 0 FGADHM O=C(Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1)[C@@H]1CCSC1 ZINC000823356525 606800439 /nfs/dbraw/zinc/80/04/39/606800439.db2.gz OFXHARVDMRJAPZ-GFCCVEGCSA-N -1 3 367.434 3.351 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1cc(-c2ccc(F)cc2)on1 ZINC000823337713 606803993 /nfs/dbraw/zinc/80/39/93/606803993.db2.gz RDIUISBKMIGYRA-UHFFFAOYSA-N -1 3 368.303 3.052 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1cc(-c2ccc(F)cc2)on1 ZINC000823337713 606803994 /nfs/dbraw/zinc/80/39/94/606803994.db2.gz RDIUISBKMIGYRA-UHFFFAOYSA-N -1 3 368.303 3.052 20 0 FGADHM C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CNc1cccc(-c2nnn[n-]2)c1 ZINC000820563064 606826416 /nfs/dbraw/zinc/82/64/16/606826416.db2.gz MVNZGRVJBGLBPZ-GFCCVEGCSA-N -1 3 370.844 3.152 20 0 FGADHM C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CNc1cccc(-c2nn[n-]n2)c1 ZINC000820563064 606826418 /nfs/dbraw/zinc/82/64/18/606826418.db2.gz MVNZGRVJBGLBPZ-GFCCVEGCSA-N -1 3 370.844 3.152 20 0 FGADHM c1nc(SCCCOc2cccc(-c3nnn[n-]3)c2)n2ccccc12 ZINC000823762027 606836713 /nfs/dbraw/zinc/83/67/13/606836713.db2.gz FISFUHRGBVMDII-UHFFFAOYSA-N -1 3 352.423 3.076 20 0 FGADHM c1nc(SCCCOc2cccc(-c3nn[n-]n3)c2)n2ccccc12 ZINC000823762027 606836715 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355.423 3.101 20 0 FGADHM C[C@@H]1CC[C@H](C(=O)Nc2sc(-c3ccccc3)cc2-c2nn[n-]n2)O1 ZINC000820678651 606957371 /nfs/dbraw/zinc/95/73/71/606957371.db2.gz WTPARTVHAWLSCP-ZWNOBZJWSA-N -1 3 355.423 3.101 20 0 FGADHM CC[C@@H](OC1CCCC1)C(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000820939289 606958341 /nfs/dbraw/zinc/95/83/41/606958341.db2.gz SPMPZQBNUHYDFA-OAHLLOKOSA-N -1 3 363.849 3.221 20 0 FGADHM CC[C@@H](OC1CCCC1)C(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000820939289 606958342 /nfs/dbraw/zinc/95/83/42/606958342.db2.gz SPMPZQBNUHYDFA-OAHLLOKOSA-N -1 3 363.849 3.221 20 0 FGADHM CCc1cccc(OCC(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)c1 ZINC000821491884 606962083 /nfs/dbraw/zinc/96/20/83/606962083.db2.gz ATLVJJSQVDZEGL-UHFFFAOYSA-N -1 3 371.828 3.124 20 0 FGADHM CCc1cccc(OCC(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)c1 ZINC000821491884 606962085 /nfs/dbraw/zinc/96/20/85/606962085.db2.gz ATLVJJSQVDZEGL-UHFFFAOYSA-N -1 3 371.828 3.124 20 0 FGADHM CCc1nc(C)c(C(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)s1 ZINC000821504210 606964118 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O=C(Cc1cccc2ccccc21)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000823111474 606991003 /nfs/dbraw/zinc/99/10/03/606991003.db2.gz JQBSGFCVQJJWHO-UHFFFAOYSA-N -1 3 362.364 3.445 20 0 FGADHM O=C(Cc1cccc2ccccc21)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000823111474 606991005 /nfs/dbraw/zinc/99/10/05/606991005.db2.gz JQBSGFCVQJJWHO-UHFFFAOYSA-N -1 3 362.364 3.445 20 0 FGADHM CC(C)(C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1F ZINC000819891908 606997670 /nfs/dbraw/zinc/99/76/70/606997670.db2.gz LBEFFNJDWKJVIY-UHFFFAOYSA-N -1 3 358.348 3.166 20 0 FGADHM CC(C)(C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1F ZINC000819891908 606997671 /nfs/dbraw/zinc/99/76/71/606997671.db2.gz LBEFFNJDWKJVIY-UHFFFAOYSA-N -1 3 358.348 3.166 20 0 FGADHM CCN(C(=O)c1cccc(C(C)=O)c1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821160507 607000694 /nfs/dbraw/zinc/00/06/94/607000694.db2.gz MCVVVUZLGOCWGH-CYBMUJFWSA-N -1 3 363.421 3.293 20 0 FGADHM CCN(C(=O)c1cccc(C(C)=O)c1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821160507 607000697 /nfs/dbraw/zinc/00/06/97/607000697.db2.gz MCVVVUZLGOCWGH-CYBMUJFWSA-N -1 3 363.421 3.293 20 0 FGADHM C[C@@H](CCOc1ccccc1)C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820248879 607001274 /nfs/dbraw/zinc/00/12/74/607001274.db2.gz OUCTXCIGKHDKLI-ZDUSSCGKSA-N -1 3 370.384 3.154 20 0 FGADHM C[C@@H](CCOc1ccccc1)C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820248879 607001276 /nfs/dbraw/zinc/00/12/76/607001276.db2.gz OUCTXCIGKHDKLI-ZDUSSCGKSA-N -1 3 370.384 3.154 20 0 FGADHM Cc1occc1-c1nnc(SCc2ccc(F)c(-c3nnn[n-]3)c2)o1 ZINC000822554260 607007143 /nfs/dbraw/zinc/00/71/43/607007143.db2.gz XWMLJOWNWMKUIV-UHFFFAOYSA-N -1 3 358.358 3.250 20 0 FGADHM Cc1occc1-c1nnc(SCc2ccc(F)c(-c3nn[n-]n3)c2)o1 ZINC000822554260 607007145 /nfs/dbraw/zinc/00/71/45/607007145.db2.gz XWMLJOWNWMKUIV-UHFFFAOYSA-N -1 3 358.358 3.250 20 0 FGADHM Cc1cccc(C)c1CNC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000822294318 607011378 /nfs/dbraw/zinc/01/13/78/607011378.db2.gz WYOVGMXQKYKUKY-UHFFFAOYSA-N -1 3 367.457 3.362 20 0 FGADHM Cc1cccc(C)c1CNC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000822294318 607011380 /nfs/dbraw/zinc/01/13/80/607011380.db2.gz WYOVGMXQKYKUKY-UHFFFAOYSA-N -1 3 367.457 3.362 20 0 FGADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N1CCc2cc(-c3ccccc3)ccc21 ZINC000822632012 607012982 /nfs/dbraw/zinc/01/29/82/607012982.db2.gz OAEOQQRNVAWJJA-UHFFFAOYSA-N -1 3 370.416 3.075 20 0 FGADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N1CCc2cc(-c3ccccc3)ccc21 ZINC000822632012 607012984 /nfs/dbraw/zinc/01/29/84/607012984.db2.gz OAEOQQRNVAWJJA-UHFFFAOYSA-N -1 3 370.416 3.075 20 0 FGADHM CC(C)[C@@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000820649627 607013330 /nfs/dbraw/zinc/01/33/30/607013330.db2.gz NJFVNDQSMJOVDX-JKIFEVAISA-N -1 3 373.526 3.488 20 0 FGADHM CC(C)[C@@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000820649627 607013332 /nfs/dbraw/zinc/01/33/32/607013332.db2.gz NJFVNDQSMJOVDX-JKIFEVAISA-N -1 3 373.526 3.488 20 0 FGADHM O=c1[nH]c2ccccc2n1CCCSc1cccc(-c2nnn[n-]2)c1 ZINC000823656425 607014400 /nfs/dbraw/zinc/01/44/00/607014400.db2.gz DEYPBUFEGJYNDL-UHFFFAOYSA-N -1 3 352.423 3.104 20 0 FGADHM O=c1[nH]c2ccccc2n1CCCSc1cccc(-c2nn[n-]n2)c1 ZINC000823656425 607014402 /nfs/dbraw/zinc/01/44/02/607014402.db2.gz DEYPBUFEGJYNDL-UHFFFAOYSA-N -1 3 352.423 3.104 20 0 FGADHM Cc1ccccc1C[C@H](C)NC(=O)CSc1cccc(-c2nnn[n-]2)c1 ZINC000822356800 607017332 /nfs/dbraw/zinc/01/73/32/607017332.db2.gz ZDJVKIDBLBXVRR-AWEZNQCLSA-N -1 3 367.478 3.015 20 0 FGADHM Cc1ccccc1C[C@H](C)NC(=O)CSc1cccc(-c2nn[n-]n2)c1 ZINC000822356800 607017333 /nfs/dbraw/zinc/01/73/33/607017333.db2.gz ZDJVKIDBLBXVRR-AWEZNQCLSA-N -1 3 367.478 3.015 20 0 FGADHM Cc1ccc(Cl)cc1NC(=O)COc1cc(-c2nnn[n-]2)ccc1C ZINC000822240066 607030415 /nfs/dbraw/zinc/03/04/15/607030415.db2.gz QZDQAOUKSGFGHQ-UHFFFAOYSA-N -1 3 357.801 3.154 20 0 FGADHM Cc1ccc(Cl)cc1NC(=O)COc1cc(-c2nn[n-]n2)ccc1C ZINC000822240066 607030418 /nfs/dbraw/zinc/03/04/18/607030418.db2.gz QZDQAOUKSGFGHQ-UHFFFAOYSA-N -1 3 357.801 3.154 20 0 FGADHM O[C@]12CCCC[C@@H]1CN(c1ccc(-c3nnn[n-]3)c(C(F)(F)F)c1)CC2 ZINC000823699805 607033347 /nfs/dbraw/zinc/03/33/47/607033347.db2.gz YAOJIYOTLUUGSP-BZNIZROVSA-N -1 3 367.375 3.017 20 0 FGADHM O[C@]12CCCC[C@@H]1CN(c1ccc(-c3nn[n-]n3)c(C(F)(F)F)c1)CC2 ZINC000823699805 607033348 /nfs/dbraw/zinc/03/33/48/607033348.db2.gz YAOJIYOTLUUGSP-BZNIZROVSA-N -1 3 367.375 3.017 20 0 FGADHM Fc1ccc(-c2nnn[n-]2)c(CSc2ccc(Br)cn2)c1 ZINC000822758374 607034072 /nfs/dbraw/zinc/03/40/72/607034072.db2.gz NAZGQDKDJBVQQG-UHFFFAOYSA-N -1 3 366.219 3.456 20 0 FGADHM Fc1ccc(-c2nn[n-]n2)c(CSc2ccc(Br)cn2)c1 ZINC000822758374 607034073 /nfs/dbraw/zinc/03/40/73/607034073.db2.gz NAZGQDKDJBVQQG-UHFFFAOYSA-N -1 3 366.219 3.456 20 0 FGADHM CC(=O)Nc1cccc(CSCc2cc(F)ccc2-c2nnn[n-]2)c1 ZINC000819826570 607034075 /nfs/dbraw/zinc/03/40/75/607034075.db2.gz JUARZGGJVAGXLG-UHFFFAOYSA-N -1 3 357.414 3.398 20 0 FGADHM CC(=O)Nc1cccc(CSCc2cc(F)ccc2-c2nn[n-]n2)c1 ZINC000819826570 607034076 /nfs/dbraw/zinc/03/40/76/607034076.db2.gz JUARZGGJVAGXLG-UHFFFAOYSA-N -1 3 357.414 3.398 20 0 FGADHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCC2(CCCC2)CC1 ZINC000819992487 607040822 /nfs/dbraw/zinc/04/08/22/607040822.db2.gz ZITVCVVWPSKYHQ-UHFFFAOYSA-N -1 3 369.469 3.207 20 0 FGADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCC2(CCCC2)CC1 ZINC000819992487 607040823 /nfs/dbraw/zinc/04/08/23/607040823.db2.gz ZITVCVVWPSKYHQ-UHFFFAOYSA-N -1 3 369.469 3.207 20 0 FGADHM Fc1cc(-c2nnn[n-]2)ccc1CN[C@@H]1CCOc2c(Cl)cccc21 ZINC000822740759 607058200 /nfs/dbraw/zinc/05/82/00/607058200.db2.gz NWLCUNHRHUZUQC-OAHLLOKOSA-N -1 3 359.792 3.273 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1CN[C@@H]1CCOc2c(Cl)cccc21 ZINC000822740759 607058201 /nfs/dbraw/zinc/05/82/01/607058201.db2.gz NWLCUNHRHUZUQC-OAHLLOKOSA-N -1 3 359.792 3.273 20 0 FGADHM Cc1ccccc1[C@H]1CN(Cc2cc(F)ccc2-c2nn[n-]n2)[C@H](C)CO1 ZINC000822351739 607071050 /nfs/dbraw/zinc/07/10/50/607071050.db2.gz PTVUWNUFKMJMKP-AUUYWEPGSA-N -1 3 367.428 3.276 20 0 FGADHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)c1nc(Cl)ccc1Cl ZINC000823417451 607073113 /nfs/dbraw/zinc/07/31/13/607073113.db2.gz AYCNCLQTGNPDBS-UHFFFAOYSA-N -1 3 368.155 3.065 20 0 FGADHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)c1nc(Cl)ccc1Cl ZINC000823417451 607073114 /nfs/dbraw/zinc/07/31/14/607073114.db2.gz AYCNCLQTGNPDBS-UHFFFAOYSA-N -1 3 368.155 3.065 20 0 FGADHM Cc1nc(C(C)C)sc1C(=O)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000822427407 607079283 /nfs/dbraw/zinc/07/92/83/607079283.db2.gz MNHMDCPBYPJIQU-UHFFFAOYSA-N -1 3 361.402 3.251 20 0 FGADHM Cc1nc(C(C)C)sc1C(=O)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000822427407 607079285 /nfs/dbraw/zinc/07/92/85/607079285.db2.gz MNHMDCPBYPJIQU-UHFFFAOYSA-N -1 3 361.402 3.251 20 0 FGADHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)c1cnc(-c2ccco2)s1 ZINC000823417825 607083467 /nfs/dbraw/zinc/08/34/67/607083467.db2.gz JUCRSEXYYRMCEE-UHFFFAOYSA-N -1 3 371.353 3.079 20 0 FGADHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)c1cnc(-c2ccco2)s1 ZINC000823417825 607083468 /nfs/dbraw/zinc/08/34/68/607083468.db2.gz JUCRSEXYYRMCEE-UHFFFAOYSA-N -1 3 371.353 3.079 20 0 FGADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)C=Cc1cccc(F)c1 ZINC000821293627 607100121 /nfs/dbraw/zinc/10/01/21/607100121.db2.gz MIRIJMIKPQNTIY-RMKNXTFCSA-N -1 3 352.373 3.090 20 0 FGADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H](C)Cc1ccccc1F ZINC000821292415 607100245 /nfs/dbraw/zinc/10/02/45/607100245.db2.gz AROPFONHZLZKSL-LBPRGKRZSA-N -1 3 368.416 3.255 20 0 FGADHM C[C@]1(c2ccccc2)CN(c2ccc(-c3nnn[n-]3)c(Cl)c2)CCO1 ZINC000820636216 607115926 /nfs/dbraw/zinc/11/59/26/607115926.db2.gz QLBOIDYWSOZBQL-GOSISDBHSA-N -1 3 355.829 3.272 20 0 FGADHM C[C@]1(c2ccccc2)CN(c2ccc(-c3nn[n-]n3)c(Cl)c2)CCO1 ZINC000820636216 607115927 /nfs/dbraw/zinc/11/59/27/607115927.db2.gz QLBOIDYWSOZBQL-GOSISDBHSA-N -1 3 355.829 3.272 20 0 FGADHM C[C@@H](c1ccccc1)n1ccc(Nc2ncc(-c3nnn[n-]3)cc2Cl)n1 ZINC000820570009 607118862 /nfs/dbraw/zinc/11/88/62/607118862.db2.gz BSVAWKWDVCSSSQ-NSHDSACASA-N -1 3 366.816 3.465 20 0 FGADHM C[C@@H](c1ccccc1)n1ccc(Nc2ncc(-c3nn[n-]n3)cc2Cl)n1 ZINC000820570009 607118863 /nfs/dbraw/zinc/11/88/63/607118863.db2.gz BSVAWKWDVCSSSQ-NSHDSACASA-N -1 3 366.816 3.465 20 0 FGADHM O=C(Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1)[C@@H]1CC12CCC2 ZINC000823355870 607120143 /nfs/dbraw/zinc/12/01/43/607120143.db2.gz FGKDMLPIVHORNQ-HNNXBMFYSA-N -1 3 362.393 3.183 20 0 FGADHM O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1)[C@@H]1CC12CCC2 ZINC000823355870 607120145 /nfs/dbraw/zinc/12/01/45/607120145.db2.gz FGKDMLPIVHORNQ-HNNXBMFYSA-N -1 3 362.393 3.183 20 0 FGADHM C[C@H]1CN(Cc2cc(F)ccc2-c2nnn[n-]2)C[C@@H](c2ccsc2)O1 ZINC000820758801 607122657 /nfs/dbraw/zinc/12/26/57/607122657.db2.gz DEEJNNPBIITMEG-ZBEGNZNMSA-N -1 3 359.430 3.029 20 0 FGADHM C[C@H]1CN(Cc2cc(F)ccc2-c2nn[n-]n2)C[C@@H](c2ccsc2)O1 ZINC000820758801 607122658 /nfs/dbraw/zinc/12/26/58/607122658.db2.gz DEEJNNPBIITMEG-ZBEGNZNMSA-N -1 3 359.430 3.029 20 0 FGADHM Cc1ccc(-c2noc(CNc3ccc(-c4nn[n-]n4)cc3Cl)n2)cc1 ZINC000822223957 607124083 /nfs/dbraw/zinc/12/40/83/607124083.db2.gz QGNPZPAFIGDMIB-UHFFFAOYSA-N -1 3 367.800 3.491 20 0 FGADHM Cc1ccn(-c2ccccc2CNc2ncc(-c3nnn[n-]3)cc2Cl)n1 ZINC000822369352 607126288 /nfs/dbraw/zinc/12/62/88/607126288.db2.gz GZFMMTWJBDQUON-UHFFFAOYSA-N -1 3 366.816 3.021 20 0 FGADHM Cc1ccn(-c2ccccc2CNc2ncc(-c3nn[n-]n3)cc2Cl)n1 ZINC000822369352 607126290 /nfs/dbraw/zinc/12/62/90/607126290.db2.gz GZFMMTWJBDQUON-UHFFFAOYSA-N -1 3 366.816 3.021 20 0 FGADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(NC[C@H]2[C@@H]3c4ccccc4C[C@H]23)n1 ZINC000822723875 607126485 /nfs/dbraw/zinc/12/64/85/607126485.db2.gz RQJMMFXQLSIGRF-UMVBOHGHSA-N -1 3 372.354 3.278 20 0 FGADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(NC[C@H]2[C@@H]3c4ccccc4C[C@H]23)n1 ZINC000822723875 607126487 /nfs/dbraw/zinc/12/64/87/607126487.db2.gz RQJMMFXQLSIGRF-UMVBOHGHSA-N -1 3 372.354 3.278 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)/C=C\SCc1ccco1 ZINC000821389787 607130288 /nfs/dbraw/zinc/13/02/88/607130288.db2.gz QFEGCUWDZQGMIP-CLFYSBASSA-N -1 3 372.406 3.211 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)/C=C\SCc1ccco1 ZINC000821389787 607130291 /nfs/dbraw/zinc/13/02/91/607130291.db2.gz QFEGCUWDZQGMIP-CLFYSBASSA-N -1 3 372.406 3.211 20 0 FGADHM CCCn1nc(C)c(C(=O)Nc2sc(C)c(C)c2-c2nnn[n-]2)c1C ZINC000821148908 607141965 /nfs/dbraw/zinc/14/19/65/607141965.db2.gz PZQFBIFGZNFNHB-UHFFFAOYSA-N -1 3 359.459 3.021 20 0 FGADHM CCCn1nc(C)c(C(=O)Nc2sc(C)c(C)c2-c2nn[n-]n2)c1C ZINC000821148908 607141967 /nfs/dbraw/zinc/14/19/67/607141967.db2.gz PZQFBIFGZNFNHB-UHFFFAOYSA-N -1 3 359.459 3.021 20 0 FGADHM CCc1oc(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)cc1C ZINC000821559138 607153583 /nfs/dbraw/zinc/15/35/83/607153583.db2.gz VJIZNFSXZOIXSX-UHFFFAOYSA-N -1 3 353.426 3.381 20 0 FGADHM CCc1oc(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)cc1C ZINC000821559138 607153585 /nfs/dbraw/zinc/15/35/85/607153585.db2.gz VJIZNFSXZOIXSX-UHFFFAOYSA-N -1 3 353.426 3.381 20 0 FGADHM O=C(NCCCF)c1ccccc1SCc1ccc(-c2nnn[n-]2)cc1 ZINC000823188122 607163809 /nfs/dbraw/zinc/16/38/09/607163809.db2.gz VHXFKKWNIRFCHM-UHFFFAOYSA-N -1 3 371.441 3.248 20 0 FGADHM O=C(NCCCF)c1ccccc1SCc1ccc(-c2nn[n-]n2)cc1 ZINC000823188122 607163810 /nfs/dbraw/zinc/16/38/10/607163810.db2.gz VHXFKKWNIRFCHM-UHFFFAOYSA-N -1 3 371.441 3.248 20 0 FGADHM O=C(Nc1ccn(-c2ccccc2Cl)n1)c1cc(-c2nnn[n-]2)cs1 ZINC000823372813 607166993 /nfs/dbraw/zinc/16/69/93/607166993.db2.gz LBUYYOOXMVOUOZ-UHFFFAOYSA-N -1 3 371.813 3.020 20 0 FGADHM O=C(Nc1ccn(-c2ccccc2Cl)n1)c1cc(-c2nn[n-]n2)cs1 ZINC000823372813 607166994 /nfs/dbraw/zinc/16/69/94/607166994.db2.gz LBUYYOOXMVOUOZ-UHFFFAOYSA-N -1 3 371.813 3.020 20 0 FGADHM O=C(Nc1cc(C(F)F)ccc1Cl)c1ccc(-c2nnn[n-]2)cn1 ZINC000823299288 607192110 /nfs/dbraw/zinc/19/21/10/607192110.db2.gz PZKRXPWQAVKXGA-UHFFFAOYSA-N -1 3 350.716 3.105 20 0 FGADHM O=C(Nc1cc(C(F)F)ccc1Cl)c1ccc(-c2nn[n-]n2)cn1 ZINC000823299288 607192111 /nfs/dbraw/zinc/19/21/11/607192111.db2.gz PZKRXPWQAVKXGA-UHFFFAOYSA-N -1 3 350.716 3.105 20 0 FGADHM Cc1ccc(OCCNC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000822263268 607195691 /nfs/dbraw/zinc/19/56/91/607195691.db2.gz KOYKARVJBRILBA-UHFFFAOYSA-N -1 3 372.816 3.029 20 0 FGADHM Cc1ccc(OCCNC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000822263268 607195692 /nfs/dbraw/zinc/19/56/92/607195692.db2.gz KOYKARVJBRILBA-UHFFFAOYSA-N -1 3 372.816 3.029 20 0 FGADHM O=C(NCCc1ccccc1F)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823224238 607196035 /nfs/dbraw/zinc/19/60/35/607196035.db2.gz VQDFYLXYRPVYRC-UHFFFAOYSA-N -1 3 360.780 3.023 20 0 FGADHM O=C(NCCc1ccccc1F)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823224238 607196036 /nfs/dbraw/zinc/19/60/36/607196036.db2.gz VQDFYLXYRPVYRC-UHFFFAOYSA-N -1 3 360.780 3.023 20 0 FGADHM C[C@@H](CNc1cc(-c2nnn[n-]2)ccc1C(F)(F)F)CC1(C)OCCO1 ZINC000820276356 607228022 /nfs/dbraw/zinc/22/80/22/607228022.db2.gz VNQKMBOOTGVXLB-SNVBAGLBSA-N -1 3 371.363 3.087 20 0 FGADHM C[C@@H](CNc1cc(-c2nn[n-]n2)ccc1C(F)(F)F)CC1(C)OCCO1 ZINC000820276356 607228023 /nfs/dbraw/zinc/22/80/23/607228023.db2.gz VNQKMBOOTGVXLB-SNVBAGLBSA-N -1 3 371.363 3.087 20 0 FGADHM CSC1(CNc2cc(-c3nnn[n-]3)ccc2C(F)(F)F)CCOCC1 ZINC000821950665 607228172 /nfs/dbraw/zinc/22/81/72/607228172.db2.gz PGJMAUVAYFPRHU-UHFFFAOYSA-N -1 3 373.404 3.210 20 0 FGADHM CSC1(CNc2cc(-c3nn[n-]n3)ccc2C(F)(F)F)CCOCC1 ZINC000821950665 607228173 /nfs/dbraw/zinc/22/81/73/607228173.db2.gz PGJMAUVAYFPRHU-UHFFFAOYSA-N -1 3 373.404 3.210 20 0 FGADHM CN(C(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1)C1CCCCCC1 ZINC000821569760 607236437 /nfs/dbraw/zinc/23/64/37/607236437.db2.gz VAQOBOUBRCUWRU-UHFFFAOYSA-N -1 3 357.458 3.205 20 0 FGADHM CN(C(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1)C1CCCCCC1 ZINC000821569760 607236438 /nfs/dbraw/zinc/23/64/38/607236438.db2.gz VAQOBOUBRCUWRU-UHFFFAOYSA-N -1 3 357.458 3.205 20 0 FGADHM C[C@@H](OC(=O)c1ccccc1Cn1cccn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820513263 607238882 /nfs/dbraw/zinc/23/88/82/607238882.db2.gz YMXGWZUWPDEPOI-CQSZACIVSA-N -1 3 374.404 3.030 20 0 FGADHM C[C@@H](OC(=O)c1ccccc1Cn1cccn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820513263 607238883 /nfs/dbraw/zinc/23/88/83/607238883.db2.gz YMXGWZUWPDEPOI-CQSZACIVSA-N -1 3 374.404 3.030 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)C(F)(F)c1ccc(F)cc1 ZINC000823314178 607240878 /nfs/dbraw/zinc/24/08/78/607240878.db2.gz NMKFRQKVEOKGLD-UHFFFAOYSA-N -1 3 367.718 3.390 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)C(F)(F)c1ccc(F)cc1 ZINC000823314178 607240879 /nfs/dbraw/zinc/24/08/79/607240879.db2.gz NMKFRQKVEOKGLD-UHFFFAOYSA-N -1 3 367.718 3.390 20 0 FGADHM Cc1ccc(C(C)C)c(OCC(=O)Oc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000822229327 607247077 /nfs/dbraw/zinc/24/70/77/607247077.db2.gz RSRZGUMSYLZHOE-UHFFFAOYSA-N -1 3 370.384 3.422 20 0 FGADHM Cc1ccc(C(C)C)c(OCC(=O)Oc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000822229327 607247078 /nfs/dbraw/zinc/24/70/78/607247078.db2.gz RSRZGUMSYLZHOE-UHFFFAOYSA-N -1 3 370.384 3.422 20 0 FGADHM Cc1cccc(OCCCC(=O)Oc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000822327226 607249424 /nfs/dbraw/zinc/24/94/24/607249424.db2.gz DMFYICRXBBIEIH-UHFFFAOYSA-N -1 3 356.357 3.079 20 0 FGADHM Cc1cccc(OCCCC(=O)Oc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000822327226 607249425 /nfs/dbraw/zinc/24/94/25/607249425.db2.gz DMFYICRXBBIEIH-UHFFFAOYSA-N -1 3 356.357 3.079 20 0 FGADHM COc1ccccc1C(C)=CC(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000821882684 607250486 /nfs/dbraw/zinc/25/04/86/607250486.db2.gz HZIIRROEEBNABZ-LUAWRHEFSA-N -1 3 354.341 3.023 20 0 FGADHM COc1ccccc1C(C)=CC(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000821882684 607250487 /nfs/dbraw/zinc/25/04/87/607250487.db2.gz HZIIRROEEBNABZ-LUAWRHEFSA-N -1 3 354.341 3.023 20 0 FGADHM CN(C(=O)CSc1ccc(Cl)cc1)c1ccccc1-c1nnn[n-]1 ZINC000825820688 607787148 /nfs/dbraw/zinc/78/71/48/607787148.db2.gz PAPAGZYHQGMAKZ-UHFFFAOYSA-N -1 3 359.842 3.275 20 0 FGADHM CN(C(=O)CSc1ccc(Cl)cc1)c1ccccc1-c1nn[n-]n1 ZINC000825820688 607787149 /nfs/dbraw/zinc/78/71/49/607787149.db2.gz PAPAGZYHQGMAKZ-UHFFFAOYSA-N -1 3 359.842 3.275 20 0 FGADHM COc1ccccc1[C@@H](C)CC(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC000826218960 607787615 /nfs/dbraw/zinc/78/76/15/607787615.db2.gz PFZMJPYXOJMHDU-ZDUSSCGKSA-N -1 3 351.410 3.032 20 0 FGADHM COc1ccccc1[C@@H](C)CC(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC000826218960 607787616 /nfs/dbraw/zinc/78/76/16/607787616.db2.gz PFZMJPYXOJMHDU-ZDUSSCGKSA-N -1 3 351.410 3.032 20 0 FGADHM COc1cccc([C@H](C)CC(=O)N(C)c2ccccc2-c2nnn[n-]2)c1 ZINC000826214750 607788415 /nfs/dbraw/zinc/78/84/15/607788415.db2.gz WADHOGHIIRVKHN-CYBMUJFWSA-N -1 3 351.410 3.032 20 0 FGADHM COc1cccc([C@H](C)CC(=O)N(C)c2ccccc2-c2nn[n-]n2)c1 ZINC000826214750 607788416 /nfs/dbraw/zinc/78/84/16/607788416.db2.gz WADHOGHIIRVKHN-CYBMUJFWSA-N -1 3 351.410 3.032 20 0 FGADHM CN(C(=O)c1cccc(C(F)(F)F)c1F)c1ccccc1-c1nnn[n-]1 ZINC000825830543 607790905 /nfs/dbraw/zinc/79/09/05/607790905.db2.gz VLWXVDXECXESJX-UHFFFAOYSA-N -1 3 365.290 3.301 20 0 FGADHM CN(C(=O)c1cccc(C(F)(F)F)c1F)c1ccccc1-c1nn[n-]n1 ZINC000825830543 607790906 /nfs/dbraw/zinc/79/09/06/607790906.db2.gz VLWXVDXECXESJX-UHFFFAOYSA-N -1 3 365.290 3.301 20 0 FGADHM CCN(C(=O)C=Cc1ccnc2ccccc12)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367940 607796231 /nfs/dbraw/zinc/79/62/31/607796231.db2.gz XZBSENYCTQGQQD-FMIVXFBMSA-N -1 3 370.416 3.481 20 0 FGADHM CCN(C(=O)C=Cc1ccnc2ccccc12)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367940 607796232 /nfs/dbraw/zinc/79/62/32/607796232.db2.gz XZBSENYCTQGQQD-FMIVXFBMSA-N -1 3 370.416 3.481 20 0 FGADHM CCN(C(=O)/C=C/SCc1ccco1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367408 607798114 /nfs/dbraw/zinc/79/81/14/607798114.db2.gz PHKOQVXIKATBMY-PKNBQFBNSA-N -1 3 355.423 3.260 20 0 FGADHM CCN(C(=O)/C=C/SCc1ccco1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367408 607798115 /nfs/dbraw/zinc/79/81/15/607798115.db2.gz PHKOQVXIKATBMY-PKNBQFBNSA-N -1 3 355.423 3.260 20 0 FGADHM CCN(C(=O)c1cnn(-c2ccccc2C)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825390304 607798612 /nfs/dbraw/zinc/79/86/12/607798612.db2.gz DAKTZCFWIGCZCP-UHFFFAOYSA-N -1 3 373.420 3.028 20 0 FGADHM CCN(C(=O)c1cnn(-c2ccccc2C)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825390304 607798613 /nfs/dbraw/zinc/79/86/13/607798613.db2.gz DAKTZCFWIGCZCP-UHFFFAOYSA-N -1 3 373.420 3.028 20 0 FGADHM CCN(C(=O)C(C)(C)Oc1ccc(F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825361072 607799446 /nfs/dbraw/zinc/79/94/46/607799446.db2.gz AWPHPDFJICAMFI-UHFFFAOYSA-N -1 3 369.400 3.216 20 0 FGADHM CCN(C(=O)C(C)(C)Oc1ccc(F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825361072 607799447 /nfs/dbraw/zinc/79/94/47/607799447.db2.gz AWPHPDFJICAMFI-UHFFFAOYSA-N -1 3 369.400 3.216 20 0 FGADHM CCN(C(=O)c1ccc(-n2nccc2C)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825379530 607800246 /nfs/dbraw/zinc/80/02/46/607800246.db2.gz HMUBXBUKYWYKCZ-UHFFFAOYSA-N -1 3 373.420 3.028 20 0 FGADHM CCN(C(=O)c1ccc(-n2nccc2C)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825379530 607800247 /nfs/dbraw/zinc/80/02/47/607800247.db2.gz HMUBXBUKYWYKCZ-UHFFFAOYSA-N -1 3 373.420 3.028 20 0 FGADHM CC(C)[C@@H](O)C(C)(C)CNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000824199642 607819917 /nfs/dbraw/zinc/81/99/17/607819917.db2.gz KNBMNEYLMNPWIO-CYBMUJFWSA-N -1 3 357.380 3.341 20 0 FGADHM CC(C)[C@@H](O)C(C)(C)CNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000824199642 607819918 /nfs/dbraw/zinc/81/99/18/607819918.db2.gz KNBMNEYLMNPWIO-CYBMUJFWSA-N -1 3 357.380 3.341 20 0 FGADHM Cc1cccc(CNC(=O)c2c(Cl)cc(-c3nnn[n-]3)cc2Cl)c1 ZINC000826298233 607833416 /nfs/dbraw/zinc/83/34/16/607833416.db2.gz JSZJEMFLLVXIAX-UHFFFAOYSA-N -1 3 362.220 3.412 20 0 FGADHM Cc1cccc(CNC(=O)c2c(Cl)cc(-c3nn[n-]n3)cc2Cl)c1 ZINC000826298233 607833417 /nfs/dbraw/zinc/83/34/17/607833417.db2.gz JSZJEMFLLVXIAX-UHFFFAOYSA-N -1 3 362.220 3.412 20 0 FGADHM CCN(Cc1ccoc1)C(=O)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000825439706 607833891 /nfs/dbraw/zinc/83/38/91/607833891.db2.gz LJHUQJUEVWQLFE-UHFFFAOYSA-N -1 3 366.208 3.429 20 0 FGADHM CCN(Cc1ccoc1)C(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000825439706 607833892 /nfs/dbraw/zinc/83/38/92/607833892.db2.gz LJHUQJUEVWQLFE-UHFFFAOYSA-N -1 3 366.208 3.429 20 0 FGADHM Cc1cnc(NC(=O)c2c(Cl)cc(-c3nnn[n-]3)cc2Cl)s1 ZINC000826319313 607834215 /nfs/dbraw/zinc/83/42/15/607834215.db2.gz XLFIJQZVRVPORO-UHFFFAOYSA-N -1 3 355.210 3.191 20 0 FGADHM Cc1cnc(NC(=O)c2c(Cl)cc(-c3nn[n-]n3)cc2Cl)s1 ZINC000826319313 607834216 /nfs/dbraw/zinc/83/42/16/607834216.db2.gz XLFIJQZVRVPORO-UHFFFAOYSA-N -1 3 355.210 3.191 20 0 FGADHM CCSCC[C@@H](C)NC(=O)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000825674699 607834799 /nfs/dbraw/zinc/83/47/99/607834799.db2.gz QROPDDLKFBCWMR-MRVPVSSYSA-N -1 3 374.297 3.435 20 0 FGADHM CCSCC[C@@H](C)NC(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000825674699 607834800 /nfs/dbraw/zinc/83/48/00/607834800.db2.gz QROPDDLKFBCWMR-MRVPVSSYSA-N -1 3 374.297 3.435 20 0 FGADHM c1ccc(N[C@@H]2CCN(c3ccc4cc(-c5nnn[n-]5)ccc4n3)C2)cc1 ZINC000826522294 607841702 /nfs/dbraw/zinc/84/17/02/607841702.db2.gz UYTPNWVYUCMWDN-QGZVFWFLSA-N -1 3 357.421 3.106 20 0 FGADHM c1ccc(N[C@@H]2CCN(c3ccc4cc(-c5nn[n-]n5)ccc4n3)C2)cc1 ZINC000826522294 607841703 /nfs/dbraw/zinc/84/17/03/607841703.db2.gz UYTPNWVYUCMWDN-QGZVFWFLSA-N -1 3 357.421 3.106 20 0 FGADHM O[C@H](COc1ccc(Cl)c(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826505447 607869925 /nfs/dbraw/zinc/86/99/25/607869925.db2.gz VVOHEGDFFIDINT-CQSZACIVSA-N -1 3 351.193 3.286 20 0 FGADHM O[C@H](COc1ccc(Cl)c(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826505447 607869926 /nfs/dbraw/zinc/86/99/26/607869926.db2.gz VVOHEGDFFIDINT-CQSZACIVSA-N -1 3 351.193 3.286 20 0 FGADHM C[C@@H](OC[C@H](O)COc1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)cc1 ZINC000824730380 607870851 /nfs/dbraw/zinc/87/08/51/607870851.db2.gz MZOIECLOBKPWQJ-WBMJQRKESA-N -1 3 374.828 3.038 20 0 FGADHM C[C@@H](OC[C@H](O)COc1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)cc1 ZINC000824730380 607870852 /nfs/dbraw/zinc/87/08/52/607870852.db2.gz MZOIECLOBKPWQJ-WBMJQRKESA-N -1 3 374.828 3.038 20 0 FGADHM O[C@@H](COc1cc(Cl)cc(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826503856 607872341 /nfs/dbraw/zinc/87/23/41/607872341.db2.gz HYBAVLIUKVTAQV-AWEZNQCLSA-N -1 3 351.193 3.286 20 0 FGADHM O[C@@H](COc1cc(Cl)cc(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826503856 607872342 /nfs/dbraw/zinc/87/23/42/607872342.db2.gz HYBAVLIUKVTAQV-AWEZNQCLSA-N -1 3 351.193 3.286 20 0 FGADHM O[C@H](COc1cc(Cl)cc(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826503857 607872344 /nfs/dbraw/zinc/87/23/44/607872344.db2.gz HYBAVLIUKVTAQV-CQSZACIVSA-N -1 3 351.193 3.286 20 0 FGADHM O[C@H](COc1cc(Cl)cc(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826503857 607872345 /nfs/dbraw/zinc/87/23/45/607872345.db2.gz HYBAVLIUKVTAQV-CQSZACIVSA-N -1 3 351.193 3.286 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1OC[C@@H](O)c1ccccc1C(F)(F)F ZINC000826255398 607875644 /nfs/dbraw/zinc/87/56/44/607875644.db2.gz XCRPBDSWUZKKAO-CQSZACIVSA-N -1 3 364.327 3.306 20 0 FGADHM Clc1cccc(Cl)c1-c1nnc(Cn2ccc(-c3nnn[n-]3)c2)o1 ZINC000826353358 607891948 /nfs/dbraw/zinc/89/19/48/607891948.db2.gz MBHGPXDPINFOFE-UHFFFAOYSA-N -1 3 362.180 3.073 20 0 FGADHM Clc1cccc(Cl)c1-c1nnc(Cn2ccc(-c3nn[n-]n3)c2)o1 ZINC000826353358 607891949 /nfs/dbraw/zinc/89/19/49/607891949.db2.gz MBHGPXDPINFOFE-UHFFFAOYSA-N -1 3 362.180 3.073 20 0 FGADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000826440675 607905729 /nfs/dbraw/zinc/90/57/29/607905729.db2.gz WOEDRTQFIRDLLF-KCQAQPDRSA-N -1 3 357.433 3.229 20 0 FGADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000826440675 607905730 /nfs/dbraw/zinc/90/57/30/607905730.db2.gz WOEDRTQFIRDLLF-KCQAQPDRSA-N -1 3 357.433 3.229 20 0 FGADHM C[C@H](Cc1ccc(Cl)s1)OC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000824458225 607924709 /nfs/dbraw/zinc/92/47/09/607924709.db2.gz UKZSWLPJPWLOPC-SSDOTTSWSA-N -1 3 354.844 3.431 20 0 FGADHM C[C@H](Cc1ccc(Cl)s1)OC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000824458225 607924710 /nfs/dbraw/zinc/92/47/10/607924710.db2.gz UKZSWLPJPWLOPC-SSDOTTSWSA-N -1 3 354.844 3.431 20 0 FGADHM C[C@@H](Cc1cccc(Cl)c1)C(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC000824459057 607927142 /nfs/dbraw/zinc/92/71/42/607927142.db2.gz YYIDUFFVRNJSTM-LBPRGKRZSA-N -1 3 355.829 3.362 20 0 FGADHM C[C@@H](Cc1cccc(Cl)c1)C(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC000824459057 607927143 /nfs/dbraw/zinc/92/71/43/607927143.db2.gz YYIDUFFVRNJSTM-LBPRGKRZSA-N -1 3 355.829 3.362 20 0 FGADHM Cc1ccc([C@H]2C[C@@H](OC(=O)c3sccc3-c3nnn[n-]3)CCO2)cc1 ZINC000826285133 607949341 /nfs/dbraw/zinc/94/93/41/607949341.db2.gz QBTQXGKANAEVMF-DZGCQCFKSA-N -1 3 370.434 3.314 20 0 FGADHM C[C@H]1CCc2sc(C(=O)N3CCc4ccc(-c5nnn[n-]5)cc43)cc2C1 ZINC000824967870 607951284 /nfs/dbraw/zinc/95/12/84/607951284.db2.gz NTTHLYPKXIHLJT-NSHDSACASA-N -1 3 365.462 3.256 20 0 FGADHM C[C@H]1CCc2sc(C(=O)N3CCc4ccc(-c5nn[n-]n5)cc43)cc2C1 ZINC000824967870 607951285 /nfs/dbraw/zinc/95/12/85/607951285.db2.gz NTTHLYPKXIHLJT-NSHDSACASA-N -1 3 365.462 3.256 20 0 FGADHM O=C(OCCCOc1ccc(-c2nn[n-]n2)cc1)C1CCC(F)(F)CC1 ZINC000826463569 607977002 /nfs/dbraw/zinc/97/70/02/607977002.db2.gz KUPHGTKZHAPJSN-UHFFFAOYSA-N -1 3 366.368 3.004 20 0 FGADHM Cc1sc(NC(=O)CN2CC=C(C(C)(C)C)CC2)c(-c2nnn[n-]2)c1C ZINC000826349324 607986478 /nfs/dbraw/zinc/98/64/78/607986478.db2.gz DNPITQUEWMVSKW-UHFFFAOYSA-N -1 3 374.514 3.162 20 0 FGADHM Cc1sc(NC(=O)CN2CC=C(C(C)(C)C)CC2)c(-c2nn[n-]n2)c1C ZINC000826349324 607986479 /nfs/dbraw/zinc/98/64/79/607986479.db2.gz DNPITQUEWMVSKW-UHFFFAOYSA-N -1 3 374.514 3.162 20 0 FGADHM CC(C)Oc1ccc(NC(=O)C2CCC(F)(F)CC2)cc1-c1nnn[n-]1 ZINC000824324861 607995483 /nfs/dbraw/zinc/99/54/83/607995483.db2.gz WZBCYWFZEFUKNI-UHFFFAOYSA-N -1 3 365.384 3.418 20 0 FGADHM CC(C)Oc1ccc(NC(=O)C2CCC(F)(F)CC2)cc1-c1nn[n-]n1 ZINC000824324861 607995484 /nfs/dbraw/zinc/99/54/84/607995484.db2.gz WZBCYWFZEFUKNI-UHFFFAOYSA-N -1 3 365.384 3.418 20 0 FGADHM CCN(C(=O)c1cnc2ccc(F)cc2c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825386168 608005617 /nfs/dbraw/zinc/00/56/17/608005617.db2.gz ZQPLHIOTMCZVAI-UHFFFAOYSA-N -1 3 362.368 3.221 20 0 FGADHM CCN(C(=O)c1cnc2ccc(F)cc2c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825386168 608005618 /nfs/dbraw/zinc/00/56/18/608005618.db2.gz ZQPLHIOTMCZVAI-UHFFFAOYSA-N -1 3 362.368 3.221 20 0 FGADHM Cc1nc(Cl)ccc1CC(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826327213 608015252 /nfs/dbraw/zinc/01/52/52/608015252.db2.gz XWAKGACTPNUASA-UHFFFAOYSA-N -1 3 363.208 3.058 20 0 FGADHM Cc1nc(Cl)ccc1CC(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826327213 608015253 /nfs/dbraw/zinc/01/52/53/608015253.db2.gz XWAKGACTPNUASA-UHFFFAOYSA-N -1 3 363.208 3.058 20 0 FGADHM Oc1ccc(CN(CC2CC2)c2ncc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000826511538 608017383 /nfs/dbraw/zinc/01/73/83/608017383.db2.gz UOPHQPNMMIJMDU-UHFFFAOYSA-N -1 3 356.817 3.037 20 0 FGADHM Oc1ccc(CN(CC2CC2)c2ncc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000826511538 608017384 /nfs/dbraw/zinc/01/73/84/608017384.db2.gz UOPHQPNMMIJMDU-UHFFFAOYSA-N -1 3 356.817 3.037 20 0 FGADHM C[C@H](OC(=O)c1cnc([C@@H]2CCCO2)s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824722598 608028493 /nfs/dbraw/zinc/02/84/93/608028493.db2.gz JPMAMYSBCRZDIQ-GWCFXTLKSA-N -1 3 371.422 3.093 20 0 FGADHM C[C@H](OC(=O)c1cnc([C@@H]2CCCO2)s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824722598 608028494 /nfs/dbraw/zinc/02/84/94/608028494.db2.gz JPMAMYSBCRZDIQ-GWCFXTLKSA-N -1 3 371.422 3.093 20 0 FGADHM CC(C)Oc1ccc(NC(=O)c2scnc2C2CC2)cc1-c1nnn[n-]1 ZINC000824329771 608029548 /nfs/dbraw/zinc/02/95/48/608029548.db2.gz VLINJUUVZPGXCN-UHFFFAOYSA-N -1 3 370.438 3.240 20 0 FGADHM CC(C)Oc1ccc(NC(=O)c2scnc2C2CC2)cc1-c1nn[n-]n1 ZINC000824329771 608029549 /nfs/dbraw/zinc/02/95/49/608029549.db2.gz VLINJUUVZPGXCN-UHFFFAOYSA-N -1 3 370.438 3.240 20 0 FGADHM O=C(c1cccc(-c2nnn[n-]2)c1)N1CCCC[C@@H]1CCc1ccccc1 ZINC000826473832 608032394 /nfs/dbraw/zinc/03/23/94/608032394.db2.gz QFURPQVJPFMNNU-LJQANCHMSA-N -1 3 361.449 3.494 20 0 FGADHM O=C(c1cccc(-c2nn[n-]n2)c1)N1CCCC[C@@H]1CCc1ccccc1 ZINC000826473832 608032395 /nfs/dbraw/zinc/03/23/95/608032395.db2.gz QFURPQVJPFMNNU-LJQANCHMSA-N -1 3 361.449 3.494 20 0 FGADHM Brc1cc(-c2nn[n-]n2)ccc1NCc1ccc2c(c1)CCO2 ZINC000823826240 608048463 /nfs/dbraw/zinc/04/84/63/608048463.db2.gz DYHBFHDLSHCXOQ-UHFFFAOYSA-N -1 3 372.226 3.176 20 0 FGADHM CC(C)[C@@H]1OCC[C@H]1CNc1ccc(-c2nn[n-]n2)cc1Br ZINC000824229892 608050606 /nfs/dbraw/zinc/05/06/06/608050606.db2.gz XFHQIZSXJRCVLG-FZMZJTMJSA-N -1 3 366.263 3.102 20 0 FGADHM CC[C@H](Nc1ccc(-c2nn[n-]n2)cc1Br)C1CCOCC1 ZINC000825149445 608050861 /nfs/dbraw/zinc/05/08/61/608050861.db2.gz YLTQBGWXNNRNTM-ZDUSSCGKSA-N -1 3 366.263 3.246 20 0 FGADHM c1ccc2sc(N3CCO[C@H](c4cccc(-c5nnn[n-]5)c4)C3)nc2c1 ZINC000826513458 608052164 /nfs/dbraw/zinc/05/21/64/608052164.db2.gz LZSXBMDXOCKGAM-HNNXBMFYSA-N -1 3 364.434 3.054 20 0 FGADHM c1ccc2sc(N3CCO[C@H](c4cccc(-c5nn[n-]n5)c4)C3)nc2c1 ZINC000826513458 608052165 /nfs/dbraw/zinc/05/21/65/608052165.db2.gz LZSXBMDXOCKGAM-HNNXBMFYSA-N -1 3 364.434 3.054 20 0 FGADHM C[C@H](OC(=O)c1cccc([C@H]2CCOC2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824722943 608067181 /nfs/dbraw/zinc/06/71/81/608067181.db2.gz KNEHOOMKHRIMHL-UGSOOPFHSA-N -1 3 364.405 3.289 20 0 FGADHM C[C@H](OC(=O)c1cccc([C@H]2CCOC2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824722943 608067182 /nfs/dbraw/zinc/06/71/82/608067182.db2.gz KNEHOOMKHRIMHL-UGSOOPFHSA-N -1 3 364.405 3.289 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(C)Cc1ccc(Cl)c(F)c1 ZINC000826243587 608103351 /nfs/dbraw/zinc/10/33/51/608103351.db2.gz NQOMUCRZYXHUAQ-UHFFFAOYSA-N -1 3 359.792 3.240 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(C)Cc1ccc(Cl)c(F)c1 ZINC000826243587 608103352 /nfs/dbraw/zinc/10/33/52/608103352.db2.gz NQOMUCRZYXHUAQ-UHFFFAOYSA-N -1 3 359.792 3.240 20 0 FGADHM CCSc1cccc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000825675176 608114984 /nfs/dbraw/zinc/11/49/84/608114984.db2.gz YXKOIEQWIRNMCU-UHFFFAOYSA-N -1 3 357.414 3.048 20 0 FGADHM CCSc1cccc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000825675176 608114985 /nfs/dbraw/zinc/11/49/85/608114985.db2.gz YXKOIEQWIRNMCU-UHFFFAOYSA-N -1 3 357.414 3.048 20 0 FGADHM CCCCNc1ccccc1C(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000825291177 608115593 /nfs/dbraw/zinc/11/55/93/608115593.db2.gz NEXKWCXTDCJSAU-UHFFFAOYSA-N -1 3 364.453 3.351 20 0 FGADHM CCCCNc1ccccc1C(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000825291177 608115594 /nfs/dbraw/zinc/11/55/94/608115594.db2.gz NEXKWCXTDCJSAU-UHFFFAOYSA-N -1 3 364.453 3.351 20 0 FGADHM O=C(c1ccccc1-c1ccccc1-c1nnn[n-]1)N1CC[C@H](C2CC2)C1 ZINC000826474452 608121807 /nfs/dbraw/zinc/12/18/07/608121807.db2.gz QOEWNGIDLIAFRV-HNNXBMFYSA-N -1 3 359.433 3.406 20 0 FGADHM O=C(c1ccccc1-c1ccccc1-c1nn[n-]n1)N1CC[C@H](C2CC2)C1 ZINC000826474452 608121808 /nfs/dbraw/zinc/12/18/08/608121808.db2.gz QOEWNGIDLIAFRV-HNNXBMFYSA-N -1 3 359.433 3.406 20 0 FGADHM Brc1ccc([C@H]2CCCN2c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000823826443 608122588 /nfs/dbraw/zinc/12/25/88/608122588.db2.gz JDYLIGSAFNNMDU-OAHLLOKOSA-N -1 3 371.242 3.366 20 0 FGADHM Brc1ccc([C@H]2CCCN2c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000823826443 608122589 /nfs/dbraw/zinc/12/25/89/608122589.db2.gz JDYLIGSAFNNMDU-OAHLLOKOSA-N -1 3 371.242 3.366 20 0 FGADHM COc1ccccc1OC[C@H](C)CNc1nc(C)cc(C)c1-c1nnn[n-]1 ZINC000826220253 608124310 /nfs/dbraw/zinc/12/43/10/608124310.db2.gz HOKGZMNXNWUWQP-GFCCVEGCSA-N -1 3 368.441 3.014 20 0 FGADHM COc1ccccc1OC[C@H](C)CNc1nc(C)cc(C)c1-c1nn[n-]n1 ZINC000826220253 608124311 /nfs/dbraw/zinc/12/43/11/608124311.db2.gz HOKGZMNXNWUWQP-GFCCVEGCSA-N -1 3 368.441 3.014 20 0 FGADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CC[C@H](C(C)(C)C)C1 ZINC000824207392 608130987 /nfs/dbraw/zinc/13/09/87/608130987.db2.gz VOMQSEXFEMGCGI-WMLDXEAASA-N -1 3 371.485 3.165 20 0 FGADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CC[C@H](C(C)(C)C)C1 ZINC000824207392 608130988 /nfs/dbraw/zinc/13/09/88/608130988.db2.gz VOMQSEXFEMGCGI-WMLDXEAASA-N -1 3 371.485 3.165 20 0 FGADHM Cc1cc(C)cc([C@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)cc3C)C2)c1 ZINC000826264092 608131610 /nfs/dbraw/zinc/13/16/10/608131610.db2.gz BPWPFWGGHCGFQE-KRWDZBQOSA-N -1 3 361.449 3.422 20 0 FGADHM Cc1cc(C)cc([C@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)cc3C)C2)c1 ZINC000826264092 608131611 /nfs/dbraw/zinc/13/16/11/608131611.db2.gz BPWPFWGGHCGFQE-KRWDZBQOSA-N -1 3 361.449 3.422 20 0 FGADHM Fc1cc(-c2nnn[n-]2)ccc1CNCc1ncc(-c2ccccc2)s1 ZINC000826371405 608160654 /nfs/dbraw/zinc/16/06/54/608160654.db2.gz FIZIWSHXBNKXEI-UHFFFAOYSA-N -1 3 366.425 3.419 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1CNCc1ncc(-c2ccccc2)s1 ZINC000826371405 608160656 /nfs/dbraw/zinc/16/06/56/608160656.db2.gz FIZIWSHXBNKXEI-UHFFFAOYSA-N -1 3 366.425 3.419 20 0 FGADHM Cc1ccc(F)c([C@H](C)OC(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)c1 ZINC000826289109 608165077 /nfs/dbraw/zinc/16/50/77/608165077.db2.gz KSJCMLPZCMBXCN-STQMWFEESA-N -1 3 370.384 3.386 20 0 FGADHM Cc1ccc(F)c([C@H](C)OC(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)c1 ZINC000826289109 608165078 /nfs/dbraw/zinc/16/50/78/608165078.db2.gz KSJCMLPZCMBXCN-STQMWFEESA-N -1 3 370.384 3.386 20 0 FGADHM COc1ccc([C@H](C)OC(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000826211769 608168333 /nfs/dbraw/zinc/16/83/33/608168333.db2.gz TYEXGEVTTOIHBZ-SUIFULHWSA-N -1 3 350.378 3.193 20 0 FGADHM COc1ccc([C@H](C)OC(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000826211769 608168335 /nfs/dbraw/zinc/16/83/35/608168335.db2.gz TYEXGEVTTOIHBZ-SUIFULHWSA-N -1 3 350.378 3.193 20 0 FGADHM C[C@H](OC(=O)c1ncoc1-c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824728377 608183427 /nfs/dbraw/zinc/18/34/27/608183427.db2.gz FPNWGKXXWRHMKZ-LBPRGKRZSA-N -1 3 361.361 3.440 20 0 FGADHM C[C@H](OC(=O)c1ncoc1-c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824728377 608183428 /nfs/dbraw/zinc/18/34/28/608183428.db2.gz FPNWGKXXWRHMKZ-LBPRGKRZSA-N -1 3 361.361 3.440 20 0 FGADHM C[C@H]1CCN(c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)CC12CCC2 ZINC000824962506 608196526 /nfs/dbraw/zinc/19/65/26/608196526.db2.gz URJRSFFWOAMXME-JTQLQIEISA-N -1 3 352.364 3.297 20 0 FGADHM C[C@H]1CCN(c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)CC12CCC2 ZINC000824962506 608196528 /nfs/dbraw/zinc/19/65/28/608196528.db2.gz URJRSFFWOAMXME-JTQLQIEISA-N -1 3 352.364 3.297 20 0 FGADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)c1cccnc1C(F)(F)F ZINC000826453488 608201395 /nfs/dbraw/zinc/20/13/95/608201395.db2.gz MRBJCODEPZTYIJ-UHFFFAOYSA-N -1 3 368.706 3.186 20 0 FGADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)c1cccnc1C(F)(F)F ZINC000826453488 608201397 /nfs/dbraw/zinc/20/13/97/608201397.db2.gz MRBJCODEPZTYIJ-UHFFFAOYSA-N -1 3 368.706 3.186 20 0 FGADHM Cc1ccccc1N1CCN(c2ccc3cc(-c4nnn[n-]4)ccc3n2)CC1 ZINC000826307780 608221631 /nfs/dbraw/zinc/22/16/31/608221631.db2.gz WKNRKTPWLOCNTB-UHFFFAOYSA-N -1 3 371.448 3.050 20 0 FGADHM Cc1ccccc1N1CCN(c2ccc3cc(-c4nn[n-]n4)ccc3n2)CC1 ZINC000826307780 608221633 /nfs/dbraw/zinc/22/16/33/608221633.db2.gz WKNRKTPWLOCNTB-UHFFFAOYSA-N -1 3 371.448 3.050 20 0 FGADHM COc1ccc(CNc2ccc3cc(-c4nnn[n-]4)ccc3n2)c(F)c1 ZINC000826203767 608233357 /nfs/dbraw/zinc/23/33/57/608233357.db2.gz FOXQNGZREIFWHD-UHFFFAOYSA-N -1 3 350.357 3.175 20 0 FGADHM COc1ccc(CNc2ccc3cc(-c4nn[n-]n4)ccc3n2)c(F)c1 ZINC000826203767 608233358 /nfs/dbraw/zinc/23/33/58/608233358.db2.gz FOXQNGZREIFWHD-UHFFFAOYSA-N -1 3 350.357 3.175 20 0 FGADHM c1cn(C2CCCC2)nc1CNc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000826518257 608233773 /nfs/dbraw/zinc/23/37/73/608233773.db2.gz HOFKNJBEZABGTG-UHFFFAOYSA-N -1 3 360.425 3.339 20 0 FGADHM c1cn(C2CCCC2)nc1CNc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000826518257 608233774 /nfs/dbraw/zinc/23/37/74/608233774.db2.gz HOFKNJBEZABGTG-UHFFFAOYSA-N -1 3 360.425 3.339 20 0 FGADHM c1ccc(N[C@@H]2CCCN(c3ccc4cc(-c5nnn[n-]5)ccc4n3)C2)cc1 ZINC000826522234 608233860 /nfs/dbraw/zinc/23/38/60/608233860.db2.gz SAVWJTUTERLDJM-GOSISDBHSA-N -1 3 371.448 3.496 20 0 FGADHM c1ccc(N[C@@H]2CCCN(c3ccc4cc(-c5nn[n-]n5)ccc4n3)C2)cc1 ZINC000826522234 608233862 /nfs/dbraw/zinc/23/38/62/608233862.db2.gz SAVWJTUTERLDJM-GOSISDBHSA-N -1 3 371.448 3.496 20 0 FGADHM CC[C@@H]1CC[C@H](C)N1C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC000825191540 608260225 /nfs/dbraw/zinc/26/02/25/608260225.db2.gz BYCCLYBORPMHRN-GXTWGEPZSA-N -1 3 358.446 3.449 20 0 FGADHM CC[C@@H]1CC[C@H](C)N1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC000825191540 608260226 /nfs/dbraw/zinc/26/02/26/608260226.db2.gz BYCCLYBORPMHRN-GXTWGEPZSA-N -1 3 358.446 3.449 20 0 FGADHM CC[C@H]1CC[C@H](C)N1C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC000825191541 608260349 /nfs/dbraw/zinc/26/03/49/608260349.db2.gz BYCCLYBORPMHRN-JSGCOSHPSA-N -1 3 358.446 3.449 20 0 FGADHM CC[C@H]1CC[C@H](C)N1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC000825191541 608260350 /nfs/dbraw/zinc/26/03/50/608260350.db2.gz BYCCLYBORPMHRN-JSGCOSHPSA-N -1 3 358.446 3.449 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1CSc1nnc(-c2ccoc2C)o1 ZINC000826173892 608261427 /nfs/dbraw/zinc/26/14/27/608261427.db2.gz ZSGRVEIKXSKPMG-UHFFFAOYSA-N -1 3 370.394 3.119 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1CSc1nnc(-c2ccoc2C)o1 ZINC000826173892 608261429 /nfs/dbraw/zinc/26/14/29/608261429.db2.gz ZSGRVEIKXSKPMG-UHFFFAOYSA-N -1 3 370.394 3.119 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1COc1ccc(F)c2c1C(=O)C[C@@H]2C ZINC000826173138 608262309 /nfs/dbraw/zinc/26/23/09/608262309.db2.gz OMMWJCMBNPDRJK-JTQLQIEISA-N -1 3 368.368 3.283 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1COc1ccc(F)c2c1C(=O)C[C@@H]2C ZINC000826173138 608262311 /nfs/dbraw/zinc/26/23/11/608262311.db2.gz OMMWJCMBNPDRJK-JTQLQIEISA-N -1 3 368.368 3.283 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)c(NC[C@H]2CCN(c3ccc(Cl)cc3)C2)n1 ZINC000826276038 608279029 /nfs/dbraw/zinc/27/90/29/608279029.db2.gz SAEPKEWUHJRNSB-CYBMUJFWSA-N -1 3 369.860 3.162 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)c(NC[C@H]2CCN(c3ccc(Cl)cc3)C2)n1 ZINC000826276038 608279031 /nfs/dbraw/zinc/27/90/31/608279031.db2.gz SAEPKEWUHJRNSB-CYBMUJFWSA-N -1 3 369.860 3.162 20 0 FGADHM Cc1nc(CNc2nc3c(cc2-c2nnn[n-]2)CCCC3)nc2ccccc12 ZINC000826326185 608282495 /nfs/dbraw/zinc/28/24/95/608282495.db2.gz FJFVULAIZRTIDG-UHFFFAOYSA-N -1 3 372.436 3.004 20 0 FGADHM Cc1nc(CNc2nc3c(cc2-c2nn[n-]n2)CCCC3)nc2ccccc12 ZINC000826326185 608282497 /nfs/dbraw/zinc/28/24/97/608282497.db2.gz FJFVULAIZRTIDG-UHFFFAOYSA-N -1 3 372.436 3.004 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)c(N2CCC(c3ccc(F)c(F)c3)CC2)n1 ZINC000826274642 608283888 /nfs/dbraw/zinc/28/38/88/608283888.db2.gz YETIZZGXIVUQJD-UHFFFAOYSA-N -1 3 356.380 3.232 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)c(N2CCC(c3ccc(F)c(F)c3)CC2)n1 ZINC000826274642 608283889 /nfs/dbraw/zinc/28/38/89/608283889.db2.gz YETIZZGXIVUQJD-UHFFFAOYSA-N -1 3 356.380 3.232 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)c(N2CC[C@@H](CSc3ccccc3)C2)n1 ZINC000826274084 608292246 /nfs/dbraw/zinc/29/22/46/608292246.db2.gz GOCUVKRPIYPENU-CQSZACIVSA-N -1 3 352.467 3.189 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)c(N2CC[C@@H](CSc3ccccc3)C2)n1 ZINC000826274084 608292247 /nfs/dbraw/zinc/29/22/47/608292247.db2.gz GOCUVKRPIYPENU-CQSZACIVSA-N -1 3 352.467 3.189 20 0 FGADHM CCCCn1cc(CNc2nc3c(cc2-c2nnn[n-]2)CCCC3)c(C)n1 ZINC000825302087 608293925 /nfs/dbraw/zinc/29/39/25/608293925.db2.gz WEMQHCOGVGZVJD-UHFFFAOYSA-N -1 3 366.473 3.058 20 0 FGADHM CCCCn1cc(CNc2nc3c(cc2-c2nn[n-]n2)CCCC3)c(C)n1 ZINC000825302087 608293927 /nfs/dbraw/zinc/29/39/27/608293927.db2.gz WEMQHCOGVGZVJD-UHFFFAOYSA-N -1 3 366.473 3.058 20 0 FGADHM CCCN1C(=O)CCc2cc(Nc3cccc(F)c3-c3nnn[n-]3)ccc21 ZINC000825326844 608297934 /nfs/dbraw/zinc/29/79/34/608297934.db2.gz FRHRODNWRDZNIC-UHFFFAOYSA-N -1 3 366.400 3.439 20 0 FGADHM CCCN1C(=O)CCc2cc(Nc3cccc(F)c3-c3nn[n-]n3)ccc21 ZINC000825326844 608297935 /nfs/dbraw/zinc/29/79/35/608297935.db2.gz FRHRODNWRDZNIC-UHFFFAOYSA-N -1 3 366.400 3.439 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)c(N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2)n1 ZINC000826275971 608301963 /nfs/dbraw/zinc/30/19/63/608301963.db2.gz QBCLVUYZQHQARR-LLVKDONJSA-N -1 3 373.823 3.053 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)c(N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2)n1 ZINC000826275971 608301965 /nfs/dbraw/zinc/30/19/65/608301965.db2.gz QBCLVUYZQHQARR-LLVKDONJSA-N -1 3 373.823 3.053 20 0 FGADHM C[C@@H](NC(=O)N[C@@H](C)c1cccc(F)c1F)c1cccc(-c2nnn[n-]2)c1 ZINC000824492050 608312539 /nfs/dbraw/zinc/31/25/39/608312539.db2.gz XEKSITZXKIWXAQ-MNOVXSKESA-N -1 3 372.379 3.266 20 0 FGADHM C[C@@H](NC(=O)N[C@@H](C)c1cccc(F)c1F)c1cccc(-c2nn[n-]n2)c1 ZINC000824492050 608312542 /nfs/dbraw/zinc/31/25/42/608312542.db2.gz XEKSITZXKIWXAQ-MNOVXSKESA-N -1 3 372.379 3.266 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1cnn(CC(C)C)c1C(C)C ZINC000826250512 608313956 /nfs/dbraw/zinc/31/39/56/608313956.db2.gz FDJMLVYOEGGQIU-UHFFFAOYSA-N -1 3 367.457 3.403 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1cnn(CC(C)C)c1C(C)C ZINC000826250512 608313957 /nfs/dbraw/zinc/31/39/57/608313957.db2.gz FDJMLVYOEGGQIU-UHFFFAOYSA-N -1 3 367.457 3.403 20 0 FGADHM C[C@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1cccc(F)c1F ZINC000824478779 608314165 /nfs/dbraw/zinc/31/41/65/608314165.db2.gz IJNKVQIVTMXFHE-USKTWTLRSA-N -1 3 355.348 3.036 20 0 FGADHM C[C@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1cccc(F)c1F ZINC000824478779 608314167 /nfs/dbraw/zinc/31/41/67/608314167.db2.gz IJNKVQIVTMXFHE-USKTWTLRSA-N -1 3 355.348 3.036 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)Nc1ccc(-c2ncco2)cc1 ZINC000826402499 608315893 /nfs/dbraw/zinc/31/58/93/608315893.db2.gz VVJWYVYMKVNPNB-YFHOEESVSA-N -1 3 358.361 3.174 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)Nc1ccc(-c2ncco2)cc1 ZINC000826402499 608315895 /nfs/dbraw/zinc/31/58/95/608315895.db2.gz VVJWYVYMKVNPNB-YFHOEESVSA-N -1 3 358.361 3.174 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1CNc1ccc(OC(C)C)cc1F ZINC000826170821 608320992 /nfs/dbraw/zinc/32/09/92/608320992.db2.gz QJJACDHBLFNVLP-UHFFFAOYSA-N -1 3 357.389 3.414 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1CNc1ccc(OC(C)C)cc1F ZINC000826170821 608320995 /nfs/dbraw/zinc/32/09/95/608320995.db2.gz QJJACDHBLFNVLP-UHFFFAOYSA-N -1 3 357.389 3.414 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1CSc1ncnc2sc(C)cc21 ZINC000826173876 608322963 /nfs/dbraw/zinc/32/29/63/608322963.db2.gz ZACWYXDJXMBXSH-UHFFFAOYSA-N -1 3 370.463 3.481 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1CSc1ncnc2sc(C)cc21 ZINC000826173876 608322965 /nfs/dbraw/zinc/32/29/65/608322965.db2.gz ZACWYXDJXMBXSH-UHFFFAOYSA-N -1 3 370.463 3.481 20 0 FGADHM CCN(C(=O)[C@H](C)c1cccnc1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825367420 608344900 /nfs/dbraw/zinc/34/49/00/608344900.db2.gz PSZXKCSJRNRYHP-LLVKDONJSA-N -1 3 356.817 3.072 20 0 FGADHM CCN(C(=O)[C@H](C)c1cccnc1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825367420 608344902 /nfs/dbraw/zinc/34/49/02/608344902.db2.gz PSZXKCSJRNRYHP-LLVKDONJSA-N -1 3 356.817 3.072 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1CN(Cc1ccccc1F)C(C)C ZINC000826168375 608356910 /nfs/dbraw/zinc/35/69/10/608356910.db2.gz LDUKYWMFSAROKK-UHFFFAOYSA-N -1 3 355.417 3.425 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)[C@H]1C[C@H]1c1sccc1C ZINC000826171639 608365192 /nfs/dbraw/zinc/36/51/92/608365192.db2.gz SZPRJTCMIBVMGJ-KGLIPLIRSA-N -1 3 370.434 3.092 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)[C@H]1C[C@H]1c1sccc1C ZINC000826171639 608365195 /nfs/dbraw/zinc/36/51/95/608365195.db2.gz SZPRJTCMIBVMGJ-KGLIPLIRSA-N -1 3 370.434 3.092 20 0 FGADHM CC(C)(C)CCNC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824087211 608392575 /nfs/dbraw/zinc/39/25/75/608392575.db2.gz RLDLAQMUNNKHCF-UHFFFAOYSA-N -1 3 354.458 3.102 20 0 FGADHM CC(C)(C)CCNC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824087211 608392576 /nfs/dbraw/zinc/39/25/76/608392576.db2.gz RLDLAQMUNNKHCF-UHFFFAOYSA-N -1 3 354.458 3.102 20 0 FGADHM Cc1nn(C)c(Cl)c1CSCc1cccc(-c2nnn[n-]2)c1F ZINC000826334345 608404772 /nfs/dbraw/zinc/40/47/72/608404772.db2.gz RGELNSQADJFIOE-UHFFFAOYSA-N -1 3 352.826 3.135 20 0 FGADHM Cc1nn(C)c(Cl)c1CSCc1cccc(-c2nn[n-]n2)c1F ZINC000826334345 608404773 /nfs/dbraw/zinc/40/47/73/608404773.db2.gz RGELNSQADJFIOE-UHFFFAOYSA-N -1 3 352.826 3.135 20 0 FGADHM Fc1c(CSCc2ncn(-c3ccccc3)n2)cccc1-c1nnn[n-]1 ZINC000826370627 608406977 /nfs/dbraw/zinc/40/69/77/608406977.db2.gz AYYOLFJYRUROHN-UHFFFAOYSA-N -1 3 367.413 3.020 20 0 FGADHM Fc1c(CSCc2ncn(-c3ccccc3)n2)cccc1-c1nn[n-]n1 ZINC000826370627 608406978 /nfs/dbraw/zinc/40/69/78/608406978.db2.gz AYYOLFJYRUROHN-UHFFFAOYSA-N -1 3 367.413 3.020 20 0 FGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)c1ccc(Cl)nc1Cl ZINC000826466777 608447057 /nfs/dbraw/zinc/44/70/57/608447057.db2.gz STJBNRAFZAKJQW-UHFFFAOYSA-N -1 3 368.155 3.065 20 0 FGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)c1ccc(Cl)nc1Cl ZINC000826466777 608447059 /nfs/dbraw/zinc/44/70/59/608447059.db2.gz STJBNRAFZAKJQW-UHFFFAOYSA-N -1 3 368.155 3.065 20 0 FGADHM CC[C@H](Cc1ccccc1)C(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000825126666 608447651 /nfs/dbraw/zinc/44/76/51/608447651.db2.gz JMGXAHJZYZSDQC-CQSZACIVSA-N -1 3 354.385 3.318 20 0 FGADHM CC[C@H](Cc1ccccc1)C(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000825126666 608447653 /nfs/dbraw/zinc/44/76/53/608447653.db2.gz JMGXAHJZYZSDQC-CQSZACIVSA-N -1 3 354.385 3.318 20 0 FGADHM Clc1cc2c(cc1NCc1cc(-c3nnn[n-]3)cs1)OCCCO2 ZINC000826351681 608450274 /nfs/dbraw/zinc/45/02/74/608450274.db2.gz VZLOQNIFLXTUMH-UHFFFAOYSA-N -1 3 363.830 3.355 20 0 FGADHM Clc1cc2c(cc1NCc1cc(-c3nn[n-]n3)cs1)OCCCO2 ZINC000826351681 608450275 /nfs/dbraw/zinc/45/02/75/608450275.db2.gz VZLOQNIFLXTUMH-UHFFFAOYSA-N -1 3 363.830 3.355 20 0 FGADHM CCCOc1ccc(N[C@H](C)C(=O)Nc2ccccc2-c2nnn[n-]2)cc1 ZINC000825341579 608529530 /nfs/dbraw/zinc/52/95/30/608529530.db2.gz FNNDNTFPWZPANV-CYBMUJFWSA-N -1 3 366.425 3.095 20 0 FGADHM CCCOc1ccc(N[C@H](C)C(=O)Nc2ccccc2-c2nn[n-]n2)cc1 ZINC000825341579 608529531 /nfs/dbraw/zinc/52/95/31/608529531.db2.gz FNNDNTFPWZPANV-CYBMUJFWSA-N -1 3 366.425 3.095 20 0 FGADHM CC(C)(C)c1csc(CNC2(c3cccc(-c4nn[n-]n4)c3)CC2)n1 ZINC000824136666 608531821 /nfs/dbraw/zinc/53/18/21/608531821.db2.gz UPARVMMVNKEUMH-UHFFFAOYSA-N -1 3 354.483 3.400 20 0 FGADHM Fc1ccc(C2(NCc3ccnc(-c4nnn[n-]4)c3)CCCC2)c(F)c1 ZINC000826374070 608552605 /nfs/dbraw/zinc/55/26/05/608552605.db2.gz KHNARXPSCHTLKQ-UHFFFAOYSA-N -1 3 356.380 3.099 20 0 FGADHM Cc1ccc2[nH]c3c(c2c1)CN(Cc1ccc(-c2nnn[n-]2)s1)CC3 ZINC000826293613 608587752 /nfs/dbraw/zinc/58/77/52/608587752.db2.gz WFFIOQFLONALIT-UHFFFAOYSA-N -1 3 350.451 3.276 20 0 FGADHM Cc1ccc2[nH]c3c(c2c1)CN(Cc1ccc(-c2nn[n-]n2)s1)CC3 ZINC000826293613 608587754 /nfs/dbraw/zinc/58/77/54/608587754.db2.gz WFFIOQFLONALIT-UHFFFAOYSA-N -1 3 350.451 3.276 20 0 FGADHM COc1ccc([C@@H](C)COC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1 ZINC000826188077 608592580 /nfs/dbraw/zinc/59/25/80/608592580.db2.gz NCKALXMOOWXXLG-JTQLQIEISA-N -1 3 374.347 3.114 20 0 FGADHM COc1ccc([C@@H](C)COC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1 ZINC000826188077 608592582 /nfs/dbraw/zinc/59/25/82/608592582.db2.gz NCKALXMOOWXXLG-JTQLQIEISA-N -1 3 374.347 3.114 20 0 FGADHM COc1ccc([C@@H](C)COC(=O)c2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000826187758 608592664 /nfs/dbraw/zinc/59/26/64/608592664.db2.gz DMJCMBUYWBLQMH-ZDUSSCGKSA-N -1 3 352.394 3.144 20 0 FGADHM COc1ccc([C@@H](C)COC(=O)c2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000826187758 608592665 /nfs/dbraw/zinc/59/26/65/608592665.db2.gz DMJCMBUYWBLQMH-ZDUSSCGKSA-N -1 3 352.394 3.144 20 0 FGADHM Cc1cc(Oc2ncccc2-c2nnn[n-]2)ccc1NC(=O)C(C)(C)F ZINC000826271884 608612168 /nfs/dbraw/zinc/61/21/68/608612168.db2.gz LKZQMTWLDQNCJA-UHFFFAOYSA-N -1 3 356.361 3.049 20 0 FGADHM CN(Cc1nc2ccccc2s1)Cc1cccc(-c2nnn[n-]2)c1F ZINC000825991906 608644964 /nfs/dbraw/zinc/64/49/64/608644964.db2.gz LLOCBGVIUZPKDI-UHFFFAOYSA-N -1 3 354.414 3.248 20 0 FGADHM CN(Cc1nc2ccccc2s1)Cc1cccc(-c2nn[n-]n2)c1F ZINC000825991906 608644965 /nfs/dbraw/zinc/64/49/65/608644965.db2.gz LLOCBGVIUZPKDI-UHFFFAOYSA-N -1 3 354.414 3.248 20 0 FGADHM COc1c(C)cc(CN(C)Cc2cccc(-c3nnn[n-]3)c2F)cc1C ZINC000826167050 608648595 /nfs/dbraw/zinc/64/85/95/608648595.db2.gz NKKGZYYKIVEDSY-UHFFFAOYSA-N -1 3 355.417 3.263 20 0 FGADHM Cn1c(SCc2cccc(-c3nnn[n-]3)c2F)nnc1-c1ccccc1 ZINC000826356631 608669537 /nfs/dbraw/zinc/66/95/37/608669537.db2.gz ZCKLVGKMASZKOT-UHFFFAOYSA-N -1 3 367.413 3.094 20 0 FGADHM Cn1c(SCc2cccc(-c3nn[n-]n3)c2F)nnc1-c1ccccc1 ZINC000826356631 608669538 /nfs/dbraw/zinc/66/95/38/608669538.db2.gz ZCKLVGKMASZKOT-UHFFFAOYSA-N -1 3 367.413 3.094 20 0 FGADHM Clc1ccccc1[C@H]1CN(Cc2ccc(-c3nnn[n-]3)s2)CCO1 ZINC000826353531 608678233 /nfs/dbraw/zinc/67/82/33/608678233.db2.gz TVHRIQBWFFORIT-CQSZACIVSA-N -1 3 361.858 3.155 20 0 FGADHM C[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)s2)C[C@@H](c2ccc(F)cc2)O1 ZINC000824985210 608719055 /nfs/dbraw/zinc/71/90/55/608719055.db2.gz TUHNTYAEJYOMHO-ABAIWWIYSA-N -1 3 359.430 3.029 20 0 FGADHM C[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)C[C@@H](c2ccc(F)cc2)O1 ZINC000824985210 608719057 /nfs/dbraw/zinc/71/90/57/608719057.db2.gz TUHNTYAEJYOMHO-ABAIWWIYSA-N -1 3 359.430 3.029 20 0 FGADHM COc1ccc(C=C(C)c2nc(=O)c3ccsc3[nH]2)cc1-c1nnn[n-]1 ZINC000826190936 608753864 /nfs/dbraw/zinc/75/38/64/608753864.db2.gz RIUUENKWCODAOD-VQHVLOKHSA-N -1 3 366.406 3.146 20 0 FGADHM COc1ccc(C=C(C)c2nc(=O)c3ccsc3[nH]2)cc1-c1nn[n-]n1 ZINC000826190936 608753865 /nfs/dbraw/zinc/75/38/65/608753865.db2.gz RIUUENKWCODAOD-VQHVLOKHSA-N -1 3 366.406 3.146 20 0 FGADHM C[C@@H]1c2ccc(F)cc2C[C@H](C)N1C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825014120 608825531 /nfs/dbraw/zinc/82/55/31/608825531.db2.gz TWNSTISQTXJXFR-NWDGAFQWSA-N -1 3 351.385 3.154 20 0 FGADHM C[C@@H]1c2ccc(F)cc2C[C@H](C)N1C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825014120 608825534 /nfs/dbraw/zinc/82/55/34/608825534.db2.gz TWNSTISQTXJXFR-NWDGAFQWSA-N -1 3 351.385 3.154 20 0 FGADHM Cc1cc(C)cc(C2=CCN(C(=O)Cc3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000826264234 608829292 /nfs/dbraw/zinc/82/92/92/608829292.db2.gz GRHBPPGZEHEYRV-UHFFFAOYSA-N -1 3 373.460 3.342 20 0 FGADHM Cc1cc(C)cc(C2=CCN(C(=O)Cc3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000826264234 608829295 /nfs/dbraw/zinc/82/92/95/608829295.db2.gz GRHBPPGZEHEYRV-UHFFFAOYSA-N -1 3 373.460 3.342 20 0 FGADHM O=C(O[C@@H](c1nccs1)c1ccccc1)c1sccc1-c1nnn[n-]1 ZINC000826461877 608845341 /nfs/dbraw/zinc/84/53/41/608845341.db2.gz IYWONGVEOKCEHQ-GFCCVEGCSA-N -1 3 369.431 3.331 20 0 FGADHM C[C@](NC(=O)c1cccc(-c2nnn[n-]2)c1)(c1ccccc1)C(F)(F)F ZINC000824522328 608873054 /nfs/dbraw/zinc/87/30/54/608873054.db2.gz QWLKUDYGMGYTSQ-INIZCTEOSA-N -1 3 361.327 3.074 20 0 FGADHM C[C@](NC(=O)c1cccc(-c2nn[n-]n2)c1)(c1ccccc1)C(F)(F)F ZINC000824522328 608873057 /nfs/dbraw/zinc/87/30/57/608873057.db2.gz QWLKUDYGMGYTSQ-INIZCTEOSA-N -1 3 361.327 3.074 20 0 FGADHM O=C(CCCC(F)(F)F)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000826405633 608886746 /nfs/dbraw/zinc/88/67/46/608886746.db2.gz NAZZWJOMXUQOIP-UHFFFAOYSA-N -1 3 353.348 3.090 20 0 FGADHM O=C(CCCC(F)(F)F)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000826405633 608886747 /nfs/dbraw/zinc/88/67/47/608886747.db2.gz NAZZWJOMXUQOIP-UHFFFAOYSA-N -1 3 353.348 3.090 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N1CCC[C@H]1/C=C\c1ccccc1 ZINC000826422640 609137919 /nfs/dbraw/zinc/13/79/19/609137919.db2.gz HBOSZMKLGARBKW-JZHDPFOFSA-N -1 3 359.433 3.114 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N1CCC[C@H]1/C=C\c1ccccc1 ZINC000826422640 609137920 /nfs/dbraw/zinc/13/79/20/609137920.db2.gz HBOSZMKLGARBKW-JZHDPFOFSA-N -1 3 359.433 3.114 20 0 FGADHM c1c2c(nn1C1CCCC1)[C@@H](Nc1ncccc1-c1nnn[n-]1)CCC2 ZINC000826525277 609150765 /nfs/dbraw/zinc/15/07/65/609150765.db2.gz DADHMFNPBMDPKT-HNNXBMFYSA-N -1 3 350.430 3.063 20 0 FGADHM c1c2c(nn1C1CCCC1)[C@@H](Nc1ncccc1-c1nn[n-]n1)CCC2 ZINC000826525277 609150768 /nfs/dbraw/zinc/15/07/68/609150768.db2.gz DADHMFNPBMDPKT-HNNXBMFYSA-N -1 3 350.430 3.063 20 0 FGADHM CC(C)C[C@H]1C[C@H](Nc2ccc3cc(-c4nnn[n-]4)ccc3n2)CCO1 ZINC000824245235 609171132 /nfs/dbraw/zinc/17/11/32/609171132.db2.gz WYQXJINWTHOBGM-CVEARBPZSA-N -1 3 352.442 3.421 20 0 FGADHM CC(C)C[C@H]1C[C@H](Nc2ccc3cc(-c4nn[n-]n4)ccc3n2)CCO1 ZINC000824245235 609171133 /nfs/dbraw/zinc/17/11/33/609171133.db2.gz WYQXJINWTHOBGM-CVEARBPZSA-N -1 3 352.442 3.421 20 0 FGADHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N1CCC(c2cccc3ccccc32)CC1 ZINC000826468616 609204309 /nfs/dbraw/zinc/20/43/09/609204309.db2.gz AFXRLYITBDTKGC-UHFFFAOYSA-N -1 3 372.432 3.368 20 0 FGADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1CCC(c2cccc3ccccc32)CC1 ZINC000826468616 609204310 /nfs/dbraw/zinc/20/43/10/609204310.db2.gz AFXRLYITBDTKGC-UHFFFAOYSA-N -1 3 372.432 3.368 20 0 FGADHM CN(Cc1ccccc1-c1ccccc1)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000825980932 609205867 /nfs/dbraw/zinc/20/58/67/609205867.db2.gz MGWNDAFACCQZIK-UHFFFAOYSA-N -1 3 358.405 3.134 20 0 FGADHM CN(Cc1ccccc1-c1ccccc1)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000825980932 609205868 /nfs/dbraw/zinc/20/58/68/609205868.db2.gz MGWNDAFACCQZIK-UHFFFAOYSA-N -1 3 358.405 3.134 20 0 FGADHM CSc1ccccc1CC(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000826230846 609234098 /nfs/dbraw/zinc/23/40/98/609234098.db2.gz LYQHYCOWZHPZKT-UHFFFAOYSA-N -1 3 373.869 3.448 20 0 FGADHM CSc1ccccc1CC(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000826230846 609234099 /nfs/dbraw/zinc/23/40/99/609234099.db2.gz LYQHYCOWZHPZKT-UHFFFAOYSA-N -1 3 373.869 3.448 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(F)c(Cl)c1F ZINC000826454010 609249031 /nfs/dbraw/zinc/24/90/31/609249031.db2.gz GZVVNMISXFMDSZ-UHFFFAOYSA-N -1 3 353.691 3.190 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(F)c(Cl)c1F ZINC000826454010 609249033 /nfs/dbraw/zinc/24/90/33/609249033.db2.gz GZVVNMISXFMDSZ-UHFFFAOYSA-N -1 3 353.691 3.190 20 0 FGADHM CCOc1ccc(N[C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)cc1CO ZINC000825643698 609277080 /nfs/dbraw/zinc/27/70/80/609277080.db2.gz RTZUURHYMQUIQI-GOSISDBHSA-N -1 3 365.437 3.247 20 0 FGADHM CCOc1ccc(N[C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)cc1CO ZINC000825643698 609277082 /nfs/dbraw/zinc/27/70/82/609277082.db2.gz RTZUURHYMQUIQI-GOSISDBHSA-N -1 3 365.437 3.247 20 0 FGADHM Fc1cc(F)c(NCc2ccc(-c3nnn[n-]3)cc2OC(F)F)cc1F ZINC000826373109 609278405 /nfs/dbraw/zinc/27/84/05/609278405.db2.gz ZHQUQIHWFLAPNS-UHFFFAOYSA-N -1 3 371.269 3.498 20 0 FGADHM Fc1cc(F)c(NCc2ccc(-c3nn[n-]n3)cc2OC(F)F)cc1F ZINC000826373109 609278407 /nfs/dbraw/zinc/27/84/07/609278407.db2.gz ZHQUQIHWFLAPNS-UHFFFAOYSA-N -1 3 371.269 3.498 20 0 FGADHM O=C(c1ccc(Cl)c(-c2nnn[n-]2)c1)N1CCc2ccc(Cl)cc21 ZINC000826473183 609301950 /nfs/dbraw/zinc/30/19/50/609301950.db2.gz NWWAGWKYDIUISY-UHFFFAOYSA-N -1 3 360.204 3.376 20 0 FGADHM O=C(c1ccc(Cl)c(-c2nn[n-]n2)c1)N1CCc2ccc(Cl)cc21 ZINC000826473183 609301952 /nfs/dbraw/zinc/30/19/52/609301952.db2.gz NWWAGWKYDIUISY-UHFFFAOYSA-N -1 3 360.204 3.376 20 0 FGADHM CC(C)[C@@H](C)NC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000824192748 609303969 /nfs/dbraw/zinc/30/39/69/609303969.db2.gz LYKDWMVVDKFAGA-CYBMUJFWSA-N -1 3 351.410 3.433 20 0 FGADHM CC(C)[C@@H](C)NC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000824192748 609303971 /nfs/dbraw/zinc/30/39/71/609303971.db2.gz LYKDWMVVDKFAGA-CYBMUJFWSA-N -1 3 351.410 3.433 20 0 FGADHM Cc1nnc(SCc2ncc(-c3cccs3)o2)c(-c2nnn[n-]2)c1C ZINC000826337626 609307826 /nfs/dbraw/zinc/30/78/26/609307826.db2.gz VFSALWDGQAPAMY-UHFFFAOYSA-N -1 3 371.451 3.282 20 0 FGADHM Cc1nnc(SCc2ncc(-c3cccs3)o2)c(-c2nn[n-]n2)c1C ZINC000826337626 609307828 /nfs/dbraw/zinc/30/78/28/609307828.db2.gz VFSALWDGQAPAMY-UHFFFAOYSA-N -1 3 371.451 3.282 20 0 FGADHM Cc1c2c(nc(SCc3ccc(Cl)cn3)c1-c1nnn[n-]1)CCC2 ZINC000826242947 609307901 /nfs/dbraw/zinc/30/79/01/609307901.db2.gz NAQXVZWDGNOSAK-UHFFFAOYSA-N -1 3 358.858 3.400 20 0 FGADHM Cc1c2c(nc(SCc3ccc(Cl)cn3)c1-c1nn[n-]n1)CCC2 ZINC000826242947 609307902 /nfs/dbraw/zinc/30/79/02/609307902.db2.gz NAQXVZWDGNOSAK-UHFFFAOYSA-N -1 3 358.858 3.400 20 0 FGADHM Cc1nnc(SC[C@@H]2CCCc3ccccc32)c(-c2nnn[n-]2)c1C ZINC000826336945 609308955 /nfs/dbraw/zinc/30/89/55/609308955.db2.gz VQQUUUKDLMLWFV-AWEZNQCLSA-N -1 3 352.467 3.486 20 0 FGADHM Cc1nnc(SC[C@@H]2CCCc3ccccc32)c(-c2nn[n-]n2)c1C ZINC000826336945 609308957 /nfs/dbraw/zinc/30/89/57/609308957.db2.gz VQQUUUKDLMLWFV-AWEZNQCLSA-N -1 3 352.467 3.486 20 0 FGADHM Cc1ccc(F)cc1CNc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000826290063 609320143 /nfs/dbraw/zinc/32/01/43/609320143.db2.gz YNAIJHKXPYXIPA-UHFFFAOYSA-N -1 3 367.363 3.251 20 0 FGADHM CCC(CC)[C@@H]1C[C@H](Nc2nc3c(cc2-c2nnn[n-]2)CCC3)CCO1 ZINC000825106602 609322265 /nfs/dbraw/zinc/32/22/65/609322265.db2.gz GLXXOVIKOGVPNH-PBHICJAKSA-N -1 3 356.474 3.146 20 0 FGADHM CCC(CC)[C@@H]1C[C@H](Nc2nc3c(cc2-c2nn[n-]n2)CCC3)CCO1 ZINC000825106602 609322267 /nfs/dbraw/zinc/32/22/67/609322267.db2.gz GLXXOVIKOGVPNH-PBHICJAKSA-N -1 3 356.474 3.146 20 0 FGADHM C[C@H](CSCC(=O)NCc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000824450079 609329841 /nfs/dbraw/zinc/32/98/41/609329841.db2.gz RNZLJMCFCUERDP-CQSZACIVSA-N -1 3 367.478 3.020 20 0 FGADHM C[C@H](CSCC(=O)NCc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000824450079 609329843 /nfs/dbraw/zinc/32/98/43/609329843.db2.gz RNZLJMCFCUERDP-CQSZACIVSA-N -1 3 367.478 3.020 20 0 FGADHM C[C@H](Nc1ccc(N2CCCC2)nc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824656912 609347421 /nfs/dbraw/zinc/34/74/21/609347421.db2.gz NYIZGQARNWYGBV-LBPRGKRZSA-N -1 3 353.405 3.174 20 0 FGADHM C[C@H](Nc1ccc(N2CCCC2)nc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824656912 609347423 /nfs/dbraw/zinc/34/74/23/609347423.db2.gz NYIZGQARNWYGBV-LBPRGKRZSA-N -1 3 353.405 3.174 20 0 FGADHM C[C@H](Nc1ccc(O[C@@H]2CCOC2)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824658042 609347439 /nfs/dbraw/zinc/34/74/39/609347439.db2.gz UOBNKGSMZXQFIC-BLLLJJGKSA-N -1 3 369.400 3.347 20 0 FGADHM C[C@H](Nc1ccc(O[C@@H]2CCOC2)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824658042 609347441 /nfs/dbraw/zinc/34/74/41/609347441.db2.gz UOBNKGSMZXQFIC-BLLLJJGKSA-N -1 3 369.400 3.347 20 0 FGADHM Cc1sc(NC(=O)C[C@@H]2CCO[C@H](C(C)C)C2)c(-c2nnn[n-]2)c1C ZINC000826349629 609372711 /nfs/dbraw/zinc/37/27/11/609372711.db2.gz OFZSTPKNJZPKGW-OLZOCXBDSA-N -1 3 363.487 3.325 20 0 FGADHM Cc1sc(NC(=O)C[C@@H]2CCO[C@H](C(C)C)C2)c(-c2nn[n-]n2)c1C ZINC000826349629 609372714 /nfs/dbraw/zinc/37/27/14/609372714.db2.gz OFZSTPKNJZPKGW-OLZOCXBDSA-N -1 3 363.487 3.325 20 0 FGADHM CC1(C)CC[C@H](C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)C1 ZINC000824797176 609402999 /nfs/dbraw/zinc/40/29/99/609402999.db2.gz WRZJVLCPDXCKBG-KRWDZBQOSA-N -1 3 351.454 3.309 20 0 FGADHM CC1(C)CC[C@H](C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC000824797176 609403000 /nfs/dbraw/zinc/40/30/00/609403000.db2.gz WRZJVLCPDXCKBG-KRWDZBQOSA-N -1 3 351.454 3.309 20 0 FGADHM CC(C)[C@H]1C[C@@H](CC(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)CCO1 ZINC000824712674 609403028 /nfs/dbraw/zinc/40/30/28/609403028.db2.gz BLGXJYIUITYOGD-GRDNDAEWSA-N -1 3 358.442 3.312 20 0 FGADHM CC(C)[C@H]1C[C@@H](CC(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)CCO1 ZINC000824712674 609403030 /nfs/dbraw/zinc/40/30/30/609403030.db2.gz BLGXJYIUITYOGD-GRDNDAEWSA-N -1 3 358.442 3.312 20 0 FGADHM Cc1ccc(N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)c(C)c1 ZINC000826291413 609406679 /nfs/dbraw/zinc/40/66/79/609406679.db2.gz FDSPWYWQCZJBED-GOSISDBHSA-N -1 3 362.437 3.091 20 0 FGADHM Cc1ccc(N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)c(C)c1 ZINC000826291413 609406680 /nfs/dbraw/zinc/40/66/80/609406680.db2.gz FDSPWYWQCZJBED-GOSISDBHSA-N -1 3 362.437 3.091 20 0 FGADHM CCc1ccc(N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)cc1 ZINC000825717152 609410567 /nfs/dbraw/zinc/41/05/67/609410567.db2.gz HQGZHQODYFKFDQ-GOSISDBHSA-N -1 3 362.437 3.037 20 0 FGADHM CCc1ccc(N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)cc1 ZINC000825717152 609410569 /nfs/dbraw/zinc/41/05/69/609410569.db2.gz HQGZHQODYFKFDQ-GOSISDBHSA-N -1 3 362.437 3.037 20 0 FGADHM CC(=O)c1ccc(-c2nnn[n-]2)cc1NCc1ccccc1OC(F)F ZINC000824019584 609419836 /nfs/dbraw/zinc/41/98/36/609419836.db2.gz HGPLXTQLCKBVAS-UHFFFAOYSA-N -1 3 359.336 3.283 20 0 FGADHM CC(=O)c1ccc(-c2nn[n-]n2)cc1NCc1ccccc1OC(F)F ZINC000824019584 609419838 /nfs/dbraw/zinc/41/98/38/609419838.db2.gz HGPLXTQLCKBVAS-UHFFFAOYSA-N -1 3 359.336 3.283 20 0 FGADHM Cc1cnc([C@@H](C)Nc2cc(C)c(-c3nnn[n-]3)c3nc4ccccc4n32)o1 ZINC000826317801 609435848 /nfs/dbraw/zinc/43/58/48/609435848.db2.gz NQHQXRWJIZJEPF-GFCCVEGCSA-N -1 3 374.408 3.446 20 0 FGADHM Cc1cnc([C@@H](C)Nc2cc(C)c(-c3nn[n-]n3)c3nc4ccccc4n32)o1 ZINC000826317801 609435850 /nfs/dbraw/zinc/43/58/50/609435850.db2.gz NQHQXRWJIZJEPF-GFCCVEGCSA-N -1 3 374.408 3.446 20 0 FGADHM CC(C)COC(=O)CSc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000824266242 609452060 /nfs/dbraw/zinc/45/20/60/609452060.db2.gz HVSIIKWKAFPTJP-UHFFFAOYSA-N -1 3 360.361 3.177 20 0 FGADHM CC(C)COC(=O)CSc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000824266242 609452062 /nfs/dbraw/zinc/45/20/62/609452062.db2.gz HVSIIKWKAFPTJP-UHFFFAOYSA-N -1 3 360.361 3.177 20 0 FGADHM Cc1cnc(CSc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cn1 ZINC000826318347 609453246 /nfs/dbraw/zinc/45/32/46/609453246.db2.gz FETAFYSCIANRHS-UHFFFAOYSA-N -1 3 352.345 3.276 20 0 FGADHM Cc1cnc(CSc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cn1 ZINC000826318347 609453248 /nfs/dbraw/zinc/45/32/48/609453248.db2.gz FETAFYSCIANRHS-UHFFFAOYSA-N -1 3 352.345 3.276 20 0 FGADHM C[C@@H]1CN(C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)[C@@H]2CCCC[C@@H]21 ZINC000824975784 609454264 /nfs/dbraw/zinc/45/42/64/609454264.db2.gz LHIMOYUOEHFYTP-BPLDGKMQSA-N -1 3 371.489 3.466 20 0 FGADHM C[C@@H]1CN(C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)[C@@H]2CCCC[C@@H]21 ZINC000824975784 609454266 /nfs/dbraw/zinc/45/42/66/609454266.db2.gz LHIMOYUOEHFYTP-BPLDGKMQSA-N -1 3 371.489 3.466 20 0 FGADHM c1ccc(SCCCNc2nc3ccccn3c2-c2nnn[n-]2)cc1 ZINC000826522961 609460326 /nfs/dbraw/zinc/46/03/26/609460326.db2.gz VBGFZRSTYKVWQB-UHFFFAOYSA-N -1 3 351.439 3.109 20 0 FGADHM c1ccc(SCCCNc2nc3ccccn3c2-c2nn[n-]n2)cc1 ZINC000826522961 609460328 /nfs/dbraw/zinc/46/03/28/609460328.db2.gz VBGFZRSTYKVWQB-UHFFFAOYSA-N -1 3 351.439 3.109 20 0 FGADHM C[C@@H](Nc1nc2ccccn2c1-c1nnn[n-]1)c1cccc(OC(F)F)c1 ZINC000824662489 609461174 /nfs/dbraw/zinc/46/11/74/609461174.db2.gz LMNBMTPJOLRPFZ-SNVBAGLBSA-N -1 3 371.351 3.289 20 0 FGADHM C[C@@H](Nc1nc2ccccn2c1-c1nn[n-]n1)c1cccc(OC(F)F)c1 ZINC000824662489 609461176 /nfs/dbraw/zinc/46/11/76/609461176.db2.gz LMNBMTPJOLRPFZ-SNVBAGLBSA-N -1 3 371.351 3.289 20 0 FGADHM CC(C)COc1ccccc1CNc1nc2ccccn2c1-c1nnn[n-]1 ZINC000824270390 609463398 /nfs/dbraw/zinc/46/33/98/609463398.db2.gz DVXORUGBIWRMOO-UHFFFAOYSA-N -1 3 363.425 3.161 20 0 FGADHM CC(C)COc1ccccc1CNc1nc2ccccn2c1-c1nn[n-]n1 ZINC000824270390 609463400 /nfs/dbraw/zinc/46/34/00/609463400.db2.gz DVXORUGBIWRMOO-UHFFFAOYSA-N -1 3 363.425 3.161 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NCc1cccc(-n2cccn2)c1 ZINC000825631864 609476597 /nfs/dbraw/zinc/47/65/97/609476597.db2.gz HTAWSPCGWIIIGE-UHFFFAOYSA-N -1 3 361.409 3.063 20 0 FGADHM COc1ccc(CNc2cccc(-c3nnn[n-]3)c2C)c(Cl)c1OC ZINC000826204114 609485966 /nfs/dbraw/zinc/48/59/66/609485966.db2.gz YAPRKNFREVBQMI-UHFFFAOYSA-N -1 3 359.817 3.458 20 0 FGADHM COc1ccc(CNc2cccc(-c3nn[n-]n3)c2C)c(Cl)c1OC ZINC000826204114 609485968 /nfs/dbraw/zinc/48/59/68/609485968.db2.gz YAPRKNFREVBQMI-UHFFFAOYSA-N -1 3 359.817 3.458 20 0 FGADHM CCOC(=O)Nc1ccc(NCc2ccc(C)c(F)c2)cc1-c1nnn[n-]1 ZINC000825553794 609488233 /nfs/dbraw/zinc/48/82/33/609488233.db2.gz WRUKTJAOMYRIOK-UHFFFAOYSA-N -1 3 370.388 3.495 20 0 FGADHM CCOC(=O)Nc1ccc(NCc2ccc(C)c(F)c2)cc1-c1nn[n-]n1 ZINC000825553794 609488235 /nfs/dbraw/zinc/48/82/35/609488235.db2.gz WRUKTJAOMYRIOK-UHFFFAOYSA-N -1 3 370.388 3.495 20 0 FGADHM CC(C)(C)[C@H]1CCN(C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)C1 ZINC000824080405 609496272 /nfs/dbraw/zinc/49/62/72/609496272.db2.gz WKPILFQLRJJOHV-ZDUSSCGKSA-N -1 3 359.478 3.323 20 0 FGADHM CC(C)(C)[C@H]1CCN(C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)C1 ZINC000824080405 609496275 /nfs/dbraw/zinc/49/62/75/609496275.db2.gz WKPILFQLRJJOHV-ZDUSSCGKSA-N -1 3 359.478 3.323 20 0 FGADHM Cc1ccncc1C=CC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826315257 609503299 /nfs/dbraw/zinc/50/32/99/609503299.db2.gz DNWNEKDUPRTDJD-GORDUTHDSA-N -1 3 374.326 3.241 20 0 FGADHM Cc1ccncc1C=CC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826315257 609503300 /nfs/dbraw/zinc/50/33/00/609503300.db2.gz DNWNEKDUPRTDJD-GORDUTHDSA-N -1 3 374.326 3.241 20 0 FGADHM O=C(Nc1sccc1-c1nnn[n-]1)c1ccc([C@@H]2CCCOC2)cc1 ZINC000826461033 609509499 /nfs/dbraw/zinc/50/94/99/609509499.db2.gz CKNVAYFSLHUMRN-CYBMUJFWSA-N -1 3 355.423 3.075 20 0 FGADHM O=C(Nc1sccc1-c1nn[n-]n1)c1ccc([C@@H]2CCCOC2)cc1 ZINC000826461033 609509501 /nfs/dbraw/zinc/50/95/01/609509501.db2.gz CKNVAYFSLHUMRN-CYBMUJFWSA-N -1 3 355.423 3.075 20 0 FGADHM O=C(c1cccnc1C1CC1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826475106 609511043 /nfs/dbraw/zinc/51/10/43/609511043.db2.gz SLRCGMZBKZOBPF-UHFFFAOYSA-N -1 3 372.432 3.069 20 0 FGADHM O=C(c1cccnc1C1CC1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826475106 609511045 /nfs/dbraw/zinc/51/10/45/609511045.db2.gz SLRCGMZBKZOBPF-UHFFFAOYSA-N -1 3 372.432 3.069 20 0 FGADHM COc1ccc(OC)c([C@@H](C)Nc2ncc(Cl)c(C)c2-c2nnn[n-]2)c1 ZINC000826210972 609523953 /nfs/dbraw/zinc/52/39/53/609523953.db2.gz LECCMTKFSCMCTR-SNVBAGLBSA-N -1 3 374.832 3.414 20 0 FGADHM COc1ccc(OC)c([C@@H](C)Nc2ncc(Cl)c(C)c2-c2nn[n-]n2)c1 ZINC000826210972 609523954 /nfs/dbraw/zinc/52/39/54/609523954.db2.gz LECCMTKFSCMCTR-SNVBAGLBSA-N -1 3 374.832 3.414 20 0 FGADHM Cc1ccnc(N(C)Cc2ccccc2OC(F)(F)F)c1-c1nnn[n-]1 ZINC000826309534 609529813 /nfs/dbraw/zinc/52/98/13/609529813.db2.gz SDEGIKHZBOFURF-UHFFFAOYSA-N -1 3 364.331 3.105 20 0 FGADHM Cc1ccnc(N(C)Cc2ccccc2OC(F)(F)F)c1-c1nn[n-]n1 ZINC000826309534 609529815 /nfs/dbraw/zinc/52/98/15/609529815.db2.gz SDEGIKHZBOFURF-UHFFFAOYSA-N -1 3 364.331 3.105 20 0 FGADHM Cc1ccnc(NCc2ccc(OCc3ccccn3)cc2)c1-c1nnn[n-]1 ZINC000826314131 609537865 /nfs/dbraw/zinc/53/78/65/609537865.db2.gz IBOVRUYBIOICCQ-UHFFFAOYSA-N -1 3 373.420 3.156 20 0 FGADHM Cc1ccnc(NCc2ccc(OCc3ccccn3)cc2)c1-c1nn[n-]n1 ZINC000826314131 609537868 /nfs/dbraw/zinc/53/78/68/609537868.db2.gz IBOVRUYBIOICCQ-UHFFFAOYSA-N -1 3 373.420 3.156 20 0 FGADHM Cc1ccnc(NCCc2c[nH]c3cc(Cl)ccc23)c1-c1nnn[n-]1 ZINC000826314267 609543218 /nfs/dbraw/zinc/54/32/18/609543218.db2.gz NUKVQNBLIHMVOB-UHFFFAOYSA-N -1 3 353.817 3.359 20 0 FGADHM Cc1ccnc(NCCc2c[nH]c3cc(Cl)ccc23)c1-c1nn[n-]n1 ZINC000826314267 609543219 /nfs/dbraw/zinc/54/32/19/609543219.db2.gz NUKVQNBLIHMVOB-UHFFFAOYSA-N -1 3 353.817 3.359 20 0 FGADHM Cc1c(Cl)cnc(N2CCC[C@@H]2c2noc(C(C)C)n2)c1-c1nnn[n-]1 ZINC000826237567 609543706 /nfs/dbraw/zinc/54/37/06/609543706.db2.gz DNXAEUHMTVAWTH-LLVKDONJSA-N -1 3 374.836 3.071 20 0 FGADHM Cc1c(Cl)cnc(N2CCC[C@@H]2c2noc(C(C)C)n2)c1-c1nn[n-]n1 ZINC000826237567 609543708 /nfs/dbraw/zinc/54/37/08/609543708.db2.gz DNXAEUHMTVAWTH-LLVKDONJSA-N -1 3 374.836 3.071 20 0 FGADHM Cc1cccc2c1OCC[C@H]2Nc1ncc(Cl)c(C)c1-c1nnn[n-]1 ZINC000826304985 609544840 /nfs/dbraw/zinc/54/48/40/609544840.db2.gz GJQFIDIUTYYSFG-CYBMUJFWSA-N -1 3 356.817 3.468 20 0 FGADHM Cc1cccc2c1OCC[C@H]2Nc1ncc(Cl)c(C)c1-c1nn[n-]n1 ZINC000826304985 609544842 /nfs/dbraw/zinc/54/48/42/609544842.db2.gz GJQFIDIUTYYSFG-CYBMUJFWSA-N -1 3 356.817 3.468 20 0 FGADHM COc1cccc2c1OCC[C@H]2Nc1ncc(Cl)c(C)c1-c1nnn[n-]1 ZINC000826217999 609545273 /nfs/dbraw/zinc/54/52/73/609545273.db2.gz KVMOKRSTXZQDNM-GFCCVEGCSA-N -1 3 372.816 3.168 20 0 FGADHM COc1cccc2c1OCC[C@H]2Nc1ncc(Cl)c(C)c1-c1nn[n-]n1 ZINC000826217999 609545274 /nfs/dbraw/zinc/54/52/74/609545274.db2.gz KVMOKRSTXZQDNM-GFCCVEGCSA-N -1 3 372.816 3.168 20 0 FGADHM CCS[C@@H]1CC[C@@H](N(C)c2ncc(Cl)c(C)c2-c2nnn[n-]2)C1 ZINC000825668750 609562667 /nfs/dbraw/zinc/56/26/67/609562667.db2.gz JNDKOXTWDGWVEC-GHMZBOCLSA-N -1 3 352.895 3.334 20 0 FGADHM CCS[C@@H]1CC[C@@H](N(C)c2ncc(Cl)c(C)c2-c2nn[n-]n2)C1 ZINC000825668750 609562671 /nfs/dbraw/zinc/56/26/71/609562671.db2.gz JNDKOXTWDGWVEC-GHMZBOCLSA-N -1 3 352.895 3.334 20 0 FGADHM Cc1ccnc(N2CC[C@H](CSc3ccccc3)C2)c1-c1nnn[n-]1 ZINC000826309981 609564048 /nfs/dbraw/zinc/56/40/48/609564048.db2.gz IDTGDJLKIFRXEK-AWEZNQCLSA-N -1 3 352.467 3.189 20 0 FGADHM Cc1ccnc(N2CC[C@H](CSc3ccccc3)C2)c1-c1nn[n-]n1 ZINC000826309981 609564050 /nfs/dbraw/zinc/56/40/50/609564050.db2.gz IDTGDJLKIFRXEK-AWEZNQCLSA-N -1 3 352.467 3.189 20 0 FGADHM CCC[C@@H]1C[C@@H](C(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)CCO1 ZINC000825255177 609578581 /nfs/dbraw/zinc/57/85/81/609578581.db2.gz WBQOLRYOKJSULF-DZGCQCFKSA-N -1 3 373.457 3.188 20 0 FGADHM CCC[C@@H]1C[C@@H](C(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)CCO1 ZINC000825255177 609578582 /nfs/dbraw/zinc/57/85/82/609578582.db2.gz WBQOLRYOKJSULF-DZGCQCFKSA-N -1 3 373.457 3.188 20 0 FGADHM CCOC(=O)Nc1ccc(NC(=O)[C@H](C)[C@@H](C)CC)cc1-c1nnn[n-]1 ZINC000825523754 609580636 /nfs/dbraw/zinc/58/06/36/609580636.db2.gz UAHDENIDCRWJAO-WDEREUQCSA-N -1 3 360.418 3.056 20 0 FGADHM CCOC(=O)Nc1ccc(NC(=O)[C@H](C)[C@@H](C)CC)cc1-c1nn[n-]n1 ZINC000825523754 609580638 /nfs/dbraw/zinc/58/06/38/609580638.db2.gz UAHDENIDCRWJAO-WDEREUQCSA-N -1 3 360.418 3.056 20 0 FGADHM Cc1ccc2c(c1)[C@@H](NC(=O)CCc1ccc(-c3nnn[n-]3)cc1)[C@H](C)C2 ZINC000826294059 609601352 /nfs/dbraw/zinc/60/13/52/609601352.db2.gz HZOUHFKVSLEXDT-VLIAUNLRSA-N -1 3 361.449 3.157 20 0 FGADHM Cc1ccc2c(c1)[C@@H](NC(=O)CCc1ccc(-c3nn[n-]n3)cc1)[C@H](C)C2 ZINC000826294059 609601354 /nfs/dbraw/zinc/60/13/54/609601354.db2.gz HZOUHFKVSLEXDT-VLIAUNLRSA-N -1 3 361.449 3.157 20 0 FGADHM Cc1ccc2c(c1)[C@H](NC(=O)CCc1ccc(-c3nnn[n-]3)cc1)[C@H](C)C2 ZINC000826294057 609601429 /nfs/dbraw/zinc/60/14/29/609601429.db2.gz HZOUHFKVSLEXDT-JLTOFOAXSA-N -1 3 361.449 3.157 20 0 FGADHM Cc1ccc2c(c1)[C@H](NC(=O)CCc1ccc(-c3nn[n-]n3)cc1)[C@H](C)C2 ZINC000826294057 609601432 /nfs/dbraw/zinc/60/14/32/609601432.db2.gz HZOUHFKVSLEXDT-JLTOFOAXSA-N -1 3 361.449 3.157 20 0 FGADHM C[C@H](COc1ccccc1)C(=O)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000824448680 609615668 /nfs/dbraw/zinc/61/56/68/609615668.db2.gz JZRQQDCZKRJIMY-GFCCVEGCSA-N -1 3 372.812 3.278 20 0 FGADHM C[C@H](COc1ccccc1)C(=O)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000824448680 609615669 /nfs/dbraw/zinc/61/56/69/609615669.db2.gz JZRQQDCZKRJIMY-GFCCVEGCSA-N -1 3 372.812 3.278 20 0 FGADHM COCc1ccsc1C(=O)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826165060 609615879 /nfs/dbraw/zinc/61/58/79/609615879.db2.gz DHARBTCRRJEFFS-UHFFFAOYSA-N -1 3 364.814 3.085 20 0 FGADHM COCc1ccsc1C(=O)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826165060 609615881 /nfs/dbraw/zinc/61/58/81/609615881.db2.gz DHARBTCRRJEFFS-UHFFFAOYSA-N -1 3 364.814 3.085 20 0 FGADHM O=C(OCc1ccc(Cl)cc1-c1nnn[n-]1)c1cnc2ccsc2c1 ZINC000826465440 609617970 /nfs/dbraw/zinc/61/79/70/609617970.db2.gz NJIGIRYWHXMTLT-UHFFFAOYSA-N -1 3 371.809 3.487 20 0 FGADHM O=C(OCc1ccc(Cl)cc1-c1nn[n-]n1)c1cnc2ccsc2c1 ZINC000826465440 609617972 /nfs/dbraw/zinc/61/79/72/609617972.db2.gz NJIGIRYWHXMTLT-UHFFFAOYSA-N -1 3 371.809 3.487 20 0 FGADHM Cc1cc(C(=O)OCc2cccc(C)c2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826298541 609627295 /nfs/dbraw/zinc/62/72/95/609627295.db2.gz XRDRITJOYNJABQ-UHFFFAOYSA-N -1 3 374.404 3.026 20 0 FGADHM Cc1cc(C(=O)OCc2cccc(C)c2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826298541 609627297 /nfs/dbraw/zinc/62/72/97/609627297.db2.gz XRDRITJOYNJABQ-UHFFFAOYSA-N -1 3 374.404 3.026 20 0 FGADHM O=S(=O)([N-]c1ccc(N2CCOCC2)cc1)c1ccc(F)c(Cl)c1 ZINC000007055412 695562097 /nfs/dbraw/zinc/56/20/97/695562097.db2.gz HCTUFTTVDWYWCM-UHFFFAOYSA-N -1 3 370.833 3.117 20 0 FGADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(N)c(Cl)c2)cc1 ZINC000007442898 695569336 /nfs/dbraw/zinc/56/93/36/695569336.db2.gz UIOXHYVNIHVJPJ-UHFFFAOYSA-N -1 3 374.249 3.335 20 0 FGADHM Cc1ccccc1CCNC(=O)COC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000011810396 695602811 /nfs/dbraw/zinc/60/28/11/695602811.db2.gz RVZWFKVAKCUCMF-UHFFFAOYSA-N -1 3 355.221 3.146 20 0 FGADHM O=C1[N-]C(=O)C(=CNc2ncc(C(F)(F)F)cc2Cl)c2ccccc21 ZINC000016718925 695631230 /nfs/dbraw/zinc/63/12/30/695631230.db2.gz KHJWAHHXXLUYCE-YRNVUSSQSA-N -1 3 367.714 3.477 20 0 FGADHM CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1cc2c(cc1[O-])OCO2 ZINC000048182209 695874345 /nfs/dbraw/zinc/87/43/45/695874345.db2.gz BKBKGGSOYBUPKP-UHFFFAOYSA-N -1 3 353.296 3.412 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3ccc[nH]3)cc2)cc1 ZINC000071016586 695957199 /nfs/dbraw/zinc/95/71/99/695957199.db2.gz DJCJMAPTJRLZRK-UHFFFAOYSA-N -1 3 355.419 3.376 20 0 FGADHM CCC[C@@H]1C[C@H]1C(=O)N[N-]C(=O)c1ccc(Br)cc1Cl ZINC000080027164 700308576 /nfs/dbraw/zinc/30/85/76/700308576.db2.gz LPEOJPMHGGSZQW-LDYMZIIASA-N -1 3 359.651 3.300 20 0 FGADHM CC[C@H](C#N)OC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000084713178 700362089 /nfs/dbraw/zinc/36/20/89/700362089.db2.gz GWBIGBVDBBILPY-CYBMUJFWSA-N -1 3 362.382 3.085 20 0 FGADHM CCOC(=O)c1cc(S(=O)(=O)[N-]c2cccc(F)c2F)ccc1F ZINC000103059187 700481072 /nfs/dbraw/zinc/48/10/72/700481072.db2.gz TXIBRNGTKJCMBS-UHFFFAOYSA-N -1 3 359.325 3.081 20 0 FGADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H](c1ccccc1)C1CCC1 ZINC000104742742 700495988 /nfs/dbraw/zinc/49/59/88/700495988.db2.gz DKMYZOUQKRXYNF-AWEZNQCLSA-N -1 3 353.875 3.202 20 0 FGADHM Cc1cc(C)c(C(=O)N[N-]C(=O)c2ccccc2Br)c(C)c1 ZINC000120494045 700655612 /nfs/dbraw/zinc/65/56/12/700655612.db2.gz QDKQSHKTIDVCAS-UHFFFAOYSA-N -1 3 361.239 3.449 20 0 FGADHM O=S(=O)([N-]c1cccnc1Br)c1ccc(F)cc1Cl ZINC000121379265 700671182 /nfs/dbraw/zinc/67/11/82/700671182.db2.gz NQZYSWWJYPTDFF-UHFFFAOYSA-N -1 3 365.611 3.437 20 0 FGADHM CC(C)(COC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)c1ccccc1 ZINC000121422533 700672298 /nfs/dbraw/zinc/67/22/98/700672298.db2.gz 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O=S(=O)([N-]CCCc1ccco1)c1c(F)cccc1OC(F)(F)F ZINC000660076180 719985707 /nfs/dbraw/zinc/98/57/07/719985707.db2.gz HHWYVHSDHBXRQW-UHFFFAOYSA-N -1 3 367.320 3.228 20 0 FGADHM O=S(=O)([N-]CCCc1ccco1)c1ccc(Br)s1 ZINC000660079920 719985976 /nfs/dbraw/zinc/98/59/76/719985976.db2.gz UFUSGFUFZYLIAW-UHFFFAOYSA-N -1 3 350.259 3.015 20 0 FGADHM Cc1ccc(N2CC[NH+]=C2[O-])cc1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000782501700 724676125 /nfs/dbraw/zinc/67/61/25/724676125.db2.gz GCXFOQYLOPJWCN-UHFFFAOYSA-N -1 3 371.871 3.040 20 0 FGADHM COc1cc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)ccc1C(F)(F)F ZINC000667014475 721013839 /nfs/dbraw/zinc/01/38/39/721013839.db2.gz WIUHULHNRMYBON-UHFFFAOYSA-N -1 3 354.210 3.103 20 0 FGADHM COc1cc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)ccc1C(F)(F)F ZINC000667014475 721013843 /nfs/dbraw/zinc/01/38/43/721013843.db2.gz WIUHULHNRMYBON-UHFFFAOYSA-N -1 3 354.210 3.103 20 0 FGADHM O=C(OCc1nc(-c2cccs2)n[nH]1)c1cc(F)cc(Cl)c1[O-] ZINC000783163843 724731140 /nfs/dbraw/zinc/73/11/40/724731140.db2.gz VYJBHQAETVGOMC-UHFFFAOYSA-N -1 3 353.762 3.388 20 0 FGADHM C[C@H]1CN(Cc2cccc([O-])c2Br)C[C@](C)(C(F)F)O1 ZINC000668821727 721365737 /nfs/dbraw/zinc/36/57/37/721365737.db2.gz KGPOGFDWJPHNBK-LKFCYVNXSA-N -1 3 350.203 3.399 20 0 FGADHM CC(C)c1ccc(C(=O)NOC[C@H](C)NC(=O)OC(C)(C)C)c([O-])c1 ZINC000783659509 724775779 /nfs/dbraw/zinc/77/57/79/724775779.db2.gz ISDQOLHRBCDLEP-LBPRGKRZSA-N -1 3 352.431 3.090 20 0 FGADHM O=S(=O)([N-]Cc1ccoc1)c1cccc(Br)c1Cl ZINC000671169596 721570645 /nfs/dbraw/zinc/57/06/45/721570645.db2.gz PAHPASJXBJDUJP-UHFFFAOYSA-N -1 3 350.621 3.174 20 0 FGADHM Cc1cccc(S(=O)(=O)[N-][C@@H]2CCCC2(F)F)c1Br ZINC000672429774 721633658 /nfs/dbraw/zinc/63/36/58/721633658.db2.gz OYYFVLIIPZOFDQ-SNVBAGLBSA-N -1 3 354.216 3.224 20 0 FGADHM CC(C)c1nc(S(=O)(=O)[N-]C[C@H]2CCCC[C@@H]2C(F)(F)F)c[nH]1 ZINC000674045951 721681098 /nfs/dbraw/zinc/68/10/98/721681098.db2.gz VAEUSGNQAATESO-MNOVXSKESA-N -1 3 353.410 3.180 20 0 FGADHM Cc1csc(CC[N-]S(=O)(=O)c2oc3ccc(F)cc3c2C)n1 ZINC000675451863 721754940 /nfs/dbraw/zinc/75/49/40/721754940.db2.gz RZVHLSXDGOWCNL-UHFFFAOYSA-N -1 3 354.428 3.166 20 0 FGADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]Cc1cc(C(C)C)no1 ZINC000675461083 721755970 /nfs/dbraw/zinc/75/59/70/721755970.db2.gz BBWFYRYSRKRKAL-UHFFFAOYSA-N -1 3 352.387 3.470 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C[C@@H](OC)C3)cc1Cl ZINC000783858630 724796854 /nfs/dbraw/zinc/79/68/54/724796854.db2.gz BXTWNIMUUVAPHF-AWEZNQCLSA-N -1 3 367.854 3.263 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C[C@@H](OC)C3)c(C)c1F ZINC000783867720 724798081 /nfs/dbraw/zinc/79/80/81/724798081.db2.gz SRSBHJBHFPEQIV-HNNXBMFYSA-N -1 3 365.426 3.057 20 0 FGADHM O=C(OCc1noc(-c2ccccc2[O-])n1)c1occc1Br ZINC000784048414 724816368 /nfs/dbraw/zinc/81/63/68/724816368.db2.gz QGTRAZCPXNJQPT-UHFFFAOYSA-N -1 3 365.139 3.155 20 0 FGADHM Cc1c(C(=O)[N-]c2nnc(C(F)(F)F)s2)sc2nc(C)nc(N)c12 ZINC000679179094 722009492 /nfs/dbraw/zinc/00/94/92/722009492.db2.gz CGKZZXUGZRVLQJ-UHFFFAOYSA-N -1 3 374.373 3.013 20 0 FGADHM Cc1c(C(=O)[N-]c2nnc(C(C)(C)C)s2)sc2nc(C)nc(N)c12 ZINC000679180850 722009714 /nfs/dbraw/zinc/00/97/14/722009714.db2.gz UHUBEOFONHKIDP-UHFFFAOYSA-N -1 3 362.484 3.292 20 0 FGADHM COc1ccc([N-]S(=O)(=O)Cc2cccc(F)c2)c(C(F)(F)F)n1 ZINC000681549016 722210727 /nfs/dbraw/zinc/21/07/27/722210727.db2.gz WTBCDEVDIIOPTO-UHFFFAOYSA-N -1 3 364.320 3.190 20 0 FGADHM O=S(=O)([N-][C@@H]1CCCOc2ccccc21)c1cnccc1C(F)(F)F ZINC000682366780 722243614 /nfs/dbraw/zinc/24/36/14/722243614.db2.gz CXDYLZZEURXQPT-CYBMUJFWSA-N -1 3 372.368 3.293 20 0 FGADHM O=C(Cc1ccc(Br)c(Cl)c1)NCc1ncccc1[O-] ZINC000684350200 722337875 /nfs/dbraw/zinc/33/78/75/722337875.db2.gz HXXYBUFLJRXHAN-UHFFFAOYSA-N -1 3 355.619 3.062 20 0 FGADHM C[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)CC1(C)OCCO1 ZINC000716035083 722416780 /nfs/dbraw/zinc/41/67/80/722416780.db2.gz VTMJFYIPGQTKGZ-JTQLQIEISA-N -1 3 368.282 3.061 20 0 FGADHM Cc1nn(C)c(C)c1[N-]S(=O)(=O)/C=C/c1cccc(Br)c1 ZINC000727353666 722443693 /nfs/dbraw/zinc/44/36/93/722443693.db2.gz WDPQPRMEHGNBJV-BQYQJAHWSA-N -1 3 370.272 3.212 20 0 FGADHM O=S(=O)(/C=C/c1ccccc1Cl)[N-]c1cnn(C[C@@H]2CCCO2)c1 ZINC000727356699 722443717 /nfs/dbraw/zinc/44/37/17/722443717.db2.gz GTKSMHXTEYECKO-HEWZJLJBSA-N -1 3 367.858 3.128 20 0 FGADHM C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O)C1CC1 ZINC000729451659 722459740 /nfs/dbraw/zinc/45/97/40/722459740.db2.gz VFVKJOXOMSSGIW-SECBINFHSA-N -1 3 364.389 3.452 20 0 FGADHM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc4c(c3)OC(C)(C)O4)ccc2O1 ZINC000729963645 722463693 /nfs/dbraw/zinc/46/36/93/722463693.db2.gz NEFRHUWZPYSQLV-NSHDSACASA-N -1 3 361.419 3.318 20 0 FGADHM O=C(COC(=O)c1cccc(Br)c1[O-])c1cc(F)ccc1F ZINC000730364002 722467821 /nfs/dbraw/zinc/46/78/21/722467821.db2.gz AIUPVOFHBPOETN-UHFFFAOYSA-N -1 3 371.133 3.473 20 0 FGADHM Cc1cccn2cc(COC(=O)c3cccc(Br)c3[O-])nc12 ZINC000730364059 722467843 /nfs/dbraw/zinc/46/78/43/722467843.db2.gz ILQBCZZKCXRXKQ-UHFFFAOYSA-N -1 3 361.195 3.468 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1cc2ccccc2c(Cl)n1 ZINC000731167783 722473740 /nfs/dbraw/zinc/47/37/40/722473740.db2.gz IUAOSSCUERZFCI-UHFFFAOYSA-N -1 3 350.769 3.321 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cc2ccccc2c(Cl)n1 ZINC000731167783 722473741 /nfs/dbraw/zinc/47/37/41/722473741.db2.gz IUAOSSCUERZFCI-UHFFFAOYSA-N -1 3 350.769 3.321 20 0 FGADHM Cc1cnc(COC(=O)c2n[n-]c(-c3ccccc3)c2Br)cn1 ZINC000731770481 722477889 /nfs/dbraw/zinc/47/78/89/722477889.db2.gz BYKDLKWFMIMGDU-UHFFFAOYSA-N -1 3 373.210 3.295 20 0 FGADHM CS(=O)(=O)[N-]c1ccc(C(=O)OC[C@@H]2CCCc3ccccc32)cc1 ZINC000733408355 722496796 /nfs/dbraw/zinc/49/67/96/722496796.db2.gz SCUWTZZPCPFMSC-INIZCTEOSA-N -1 3 359.447 3.335 20 0 FGADHM CN(C)Cc1ccccc1[N-]S(=O)(=O)c1ccccc1OC(F)F ZINC000733869529 722501629 /nfs/dbraw/zinc/50/16/29/722501629.db2.gz WOJKSDRXKAZVEM-UHFFFAOYSA-N -1 3 356.394 3.150 20 0 FGADHM Cc1nonc1C(=O)[N-]c1nc(-c2c(F)cc(F)cc2F)c(C)s1 ZINC000733931328 722502620 /nfs/dbraw/zinc/50/26/20/722502620.db2.gz SFVQFYMXPXXSEV-UHFFFAOYSA-N -1 3 354.313 3.480 20 0 FGADHM C[C@@H](Nc1c(-c2nnn[n-]2)cnc2c(F)ccc(F)c21)c1cccs1 ZINC000736139954 722522015 /nfs/dbraw/zinc/52/20/15/722522015.db2.gz SGMRMVAEHCNBHO-MRVPVSSYSA-N -1 3 358.377 3.350 20 0 FGADHM C[C@@H](Nc1c(-c2nn[n-]n2)cnc2c(F)ccc(F)c21)c1cccs1 ZINC000736139954 722522016 /nfs/dbraw/zinc/52/20/16/722522016.db2.gz SGMRMVAEHCNBHO-MRVPVSSYSA-N -1 3 358.377 3.350 20 0 FGADHM Cc1ccc(N2CC[C@H](Sc3ccc(-c4nnn[n-]4)cc3)C2=O)cc1 ZINC000737351059 722526331 /nfs/dbraw/zinc/52/63/31/722526331.db2.gz JSTCFTGVHGBHIJ-INIZCTEOSA-N -1 3 351.435 3.073 20 0 FGADHM Cc1ccc(N2CC[C@H](Sc3ccc(-c4nn[n-]n4)cc3)C2=O)cc1 ZINC000737351059 722526332 /nfs/dbraw/zinc/52/63/32/722526332.db2.gz JSTCFTGVHGBHIJ-INIZCTEOSA-N -1 3 351.435 3.073 20 0 FGADHM CCC(CC)(CC)NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000741615417 722547685 /nfs/dbraw/zinc/54/76/85/722547685.db2.gz GRVBCKKLEHOJGS-UHFFFAOYSA-N -1 3 358.479 3.211 20 0 FGADHM CS(=O)(=O)c1c(Cl)cccc1[N-]C(=O)c1scnc1Cl ZINC000741969690 722550984 /nfs/dbraw/zinc/55/09/84/722550984.db2.gz ITMHKGABVKFXQM-UHFFFAOYSA-N -1 3 351.236 3.106 20 0 FGADHM O=C(CNC(=O)c1ccc([O-])cc1)OCc1cc(Cl)ccc1Cl ZINC000744941838 722581741 /nfs/dbraw/zinc/58/17/41/722581741.db2.gz OQVXYROKFGYZIG-UHFFFAOYSA-N -1 3 354.189 3.172 20 0 FGADHM COC(=O)Nc1ccc(C(=O)OCC(=O)c2cccc(Cl)c2)cc1[O-] ZINC000745652191 722589120 /nfs/dbraw/zinc/58/91/20/722589120.db2.gz HNDNIICZDDBCQR-UHFFFAOYSA-N -1 3 363.753 3.264 20 0 FGADHM O=C1OCc2c1cccc2S(=O)(=O)[N-]c1cc(F)c(F)cc1Cl ZINC000747621128 722652909 /nfs/dbraw/zinc/65/29/09/722652909.db2.gz NAZRNJWLGJSKKT-UHFFFAOYSA-N -1 3 359.737 3.089 20 0 FGADHM CN1CCCc2cc([N-]S(=O)(=O)c3ccc4ncccc4c3)ccc21 ZINC000747860102 722663860 /nfs/dbraw/zinc/66/38/60/722663860.db2.gz KHRZGALRFHMVKI-UHFFFAOYSA-N -1 3 353.447 3.418 20 0 FGADHM COCCO[N-]C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 ZINC000748769466 722703658 /nfs/dbraw/zinc/70/36/58/722703658.db2.gz OFNWSVXARGMDEJ-UHFFFAOYSA-N -1 3 359.209 3.275 20 0 FGADHM CCOc1cc(Br)c(CC(=O)[N-]OCC(C)C)cc1OCC ZINC000750007413 722751832 /nfs/dbraw/zinc/75/18/32/722751832.db2.gz MDYMIIHDWZKRKU-UHFFFAOYSA-N -1 3 374.275 3.493 20 0 FGADHM O=C([N-][C@@H]1CCN(c2cccc(Cl)c2)C1=O)C(F)(F)c1ccccc1 ZINC000750137340 722755348 /nfs/dbraw/zinc/75/53/48/722755348.db2.gz YRBGNVDVDHMBSW-OAHLLOKOSA-N -1 3 364.779 3.354 20 0 FGADHM COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-][C@@H](C)CCCC(C)C ZINC000750954438 722787526 /nfs/dbraw/zinc/78/75/26/722787526.db2.gz IYGBZPDSQFZRID-NSHDSACASA-N -1 3 362.879 3.015 20 0 FGADHM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@H]2CCCC[C@H]2C(C)(C)C)c(C)o1 ZINC000751362246 722802901 /nfs/dbraw/zinc/80/29/01/722802901.db2.gz ZIMSGIIXYMDJMM-UKRRQHHQSA-N -1 3 370.515 3.078 20 0 FGADHM O=S(=O)(/C=C\c1ccccc1Cl)[N-][C@@H](CO)c1c(F)cccc1F ZINC000751421281 722805274 /nfs/dbraw/zinc/80/52/74/722805274.db2.gz CPXUMUFGPACFQS-CDNLZTBQSA-N -1 3 373.808 3.242 20 0 FGADHM CCCC[C@H](CCC)[N-]S(=O)(=O)c1ccc(Cl)nc1C(=O)OC ZINC000751486307 722809959 /nfs/dbraw/zinc/80/99/59/722809959.db2.gz JPYMKHPAOBYRQE-NSHDSACASA-N -1 3 362.879 3.159 20 0 FGADHM 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/nfs/dbraw/zinc/72/84/31/760728431.db2.gz HJSRYTVGZRVPJT-LLVKDONJSA-N -1 3 369.265 3.145 20 0 FGADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)NC2CC2)cc1 ZINC000931609445 760911654 /nfs/dbraw/zinc/91/16/54/760911654.db2.gz DDVSIONANILQQE-UHFFFAOYSA-N -1 3 359.451 3.388 20 0 FGADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1ccccc1COC(C)(C)C ZINC000932546105 761185762 /nfs/dbraw/zinc/18/57/62/761185762.db2.gz VPROXTKGLONDHC-UHFFFAOYSA-N -1 3 352.431 3.397 20 0 FGADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1ccccc1COC(C)(C)C ZINC000932546105 761185767 /nfs/dbraw/zinc/18/57/67/761185767.db2.gz VPROXTKGLONDHC-UHFFFAOYSA-N -1 3 352.431 3.397 20 0 FGADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1c(F)ccc(Br)c1F ZINC000933294768 761356598 /nfs/dbraw/zinc/35/65/98/761356598.db2.gz OCNPHCQCRJQOPY-SECBINFHSA-N -1 3 351.147 3.307 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)c1cc(Br)cnc1C1CC1 ZINC000934945865 761755353 /nfs/dbraw/zinc/75/53/53/761755353.db2.gz QEXXKZQQDVCJKF-UHFFFAOYSA-N -1 3 365.202 3.496 20 0 FGADHM CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@@H](C(=O)Nc1cccc([O-])c1F)C2 ZINC000935137663 761799036 /nfs/dbraw/zinc/79/90/36/761799036.db2.gz LFQLAKBVBIXUFI-MDZLAQPJSA-N -1 3 350.390 3.258 20 0 FGADHM O=C(N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1[O-])c1ccc(Cl)o1 ZINC000976294324 763293627 /nfs/dbraw/zinc/29/36/27/763293627.db2.gz UYCULRQPFIZSJY-CHWSQXEVSA-N -1 3 362.813 3.110 20 0 FGADHM CC[C@@H]1[C@@H](NC(=O)c2ccccc2[O-])CCN1C(=O)c1ccc(F)s1 ZINC000984596176 763770730 /nfs/dbraw/zinc/77/07/30/763770730.db2.gz NBQLRPQFTFCJGE-QWHCGFSZSA-N -1 3 362.426 3.016 20 0 FGADHM COC(=O)c1cc(C)nc2nc(SCc3ccccc3C)[n-]c(=O)c12 ZINC000109208332 209300640 /nfs/dbraw/zinc/30/06/40/209300640.db2.gz LDNJIKBGLDCLFP-UHFFFAOYSA-N -1 3 355.419 3.014 20 0 FGADHM CNC(=O)c1cccc([N-]S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)c1 ZINC000024102379 257335033 /nfs/dbraw/zinc/33/50/33/257335033.db2.gz QSTWPRHWSIRAMN-UHFFFAOYSA-N -1 3 360.479 3.389 20 0 FGADHM O=S(=O)([N-]C[C@H]1CCC[C@H](O)C1)c1cc(C(F)(F)F)ccc1Cl ZINC000121820080 494867960 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CC(=O)Nc1ccc([O-])c(C(=O)N(Cc2ccccc2Cl)C2COC2)c1 ZINC000568222925 505647021 /nfs/dbraw/zinc/64/70/21/505647021.db2.gz FYQDTTDHDKUZDZ-UHFFFAOYSA-N -1 3 374.824 3.045 20 0 FGADHM CC(C)(C)Oc1ccc(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)cc1C#N ZINC000568229237 505648802 /nfs/dbraw/zinc/64/88/02/505648802.db2.gz SUOMEXYSGXZIIG-UHFFFAOYSA-N -1 3 352.394 3.361 20 0 FGADHM CCc1nc([C@H](C)[N-]S(=O)(=O)c2sc3ccccc3c2Cl)n[nH]1 ZINC000573912585 505650019 /nfs/dbraw/zinc/65/00/19/505650019.db2.gz MLACBBFXWGPFIT-QMMMGPOBSA-N -1 3 370.887 3.275 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H](c3ccccc3F)[C@@H](C)O)nc2)n1 ZINC000571094766 505651828 /nfs/dbraw/zinc/65/18/28/505651828.db2.gz UNAZEGPZZQEXLV-BLVKFPJESA-N -1 3 368.412 3.480 20 0 FGADHM CC(=O)c1cc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])ccc1C ZINC000573981023 505666005 /nfs/dbraw/zinc/66/60/05/505666005.db2.gz WSOAXSRUEOCGCP-GOSISDBHSA-N -1 3 366.417 3.147 20 0 FGADHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1ccnc(Oc2ccccc2)c1 ZINC000573980351 505665341 /nfs/dbraw/zinc/66/53/41/505665341.db2.gz BCFWHTMYULBFQD-INIZCTEOSA-N -1 3 350.378 3.123 20 0 FGADHM CC[C@@H](c1cccc(OC)c1)N(C)C(=O)c1c[n-]c2ccncc2c1=O ZINC000580046958 505669957 /nfs/dbraw/zinc/66/99/57/505669957.db2.gz YJZSCKLDMPYRRJ-SFHVURJKSA-N -1 3 351.406 3.155 20 0 FGADHM O=C(CCc1nc(-c2ccc3n[n-]nc3c2)no1)c1ccc2c(c1)CCC2 ZINC000577161562 505676722 /nfs/dbraw/zinc/67/67/22/505676722.db2.gz VGYBVVYIDHMHLW-UHFFFAOYSA-N -1 3 359.389 3.312 20 0 FGADHM O=C(NCCc1ccc(Cl)cc1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000048014634 493772384 /nfs/dbraw/zinc/77/23/84/493772384.db2.gz JFUBGSXMDZJIFW-KRWDZBQOSA-N -1 3 372.852 3.009 20 0 FGADHM COc1ccccc1-c1nc(NC(=O)Cn2c(C)cc3ccccc32)n[n-]1 ZINC000048011933 493772715 /nfs/dbraw/zinc/77/27/15/493772715.db2.gz MKQIBXNKWQHOOK-UHFFFAOYSA-N -1 3 361.405 3.382 20 0 FGADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)c1ccc(-c2cccnc2)cc1 ZINC000080820510 493783794 /nfs/dbraw/zinc/78/37/94/493783794.db2.gz LUMATGQZEGQKCK-LBPRGKRZSA-N -1 3 357.435 3.393 20 0 FGADHM COc1ccc(Br)c(S(=O)(=O)[N-]Cc2ccc(F)cc2)c1 ZINC000028577811 493794765 /nfs/dbraw/zinc/79/47/65/493794765.db2.gz DNYDAUNWJYFVQE-UHFFFAOYSA-N -1 3 374.231 3.075 20 0 FGADHM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c(Cl)c1 ZINC000057785314 493797510 /nfs/dbraw/zinc/79/75/10/493797510.db2.gz XKLRXIZFRANJDR-UHFFFAOYSA-N -1 3 360.769 3.377 20 0 FGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000081129517 493837418 /nfs/dbraw/zinc/83/74/18/493837418.db2.gz JYTXGNIAPQMACH-WDEREUQCSA-N -1 3 359.392 3.227 20 0 FGADHM O=S(=O)([N-]CC1CC1)c1ccc(Br)cc1C(F)(F)F ZINC000048665703 493839981 /nfs/dbraw/zinc/83/99/81/493839981.db2.gz XRTJBVMMLSPILJ-UHFFFAOYSA-N -1 3 358.179 3.156 20 0 FGADHM CCCCOCCC[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000048664548 493840379 /nfs/dbraw/zinc/84/03/79/493840379.db2.gz ZVJGOULXKCSXTK-UHFFFAOYSA-N -1 3 368.268 3.073 20 0 FGADHM CC(C)c1ccc(C(=O)N[C@@H]2CCS(=O)(=O)c3ccccc32)c([O-])c1 ZINC000048679429 493841361 /nfs/dbraw/zinc/84/13/61/493841361.db2.gz WBHYGQCTWRAOOG-MRXNPFEDSA-N -1 3 359.447 3.164 20 0 FGADHM CCCS(=O)(=O)[N-]c1ccc(C(=O)Nc2cccc(OCC)c2)cc1 ZINC000076203178 493843991 /nfs/dbraw/zinc/84/39/91/493843991.db2.gz BBHGXLFDXGUVCQ-UHFFFAOYSA-N -1 3 362.451 3.489 20 0 FGADHM CS(=O)(=O)[N-]c1cc(NC(=O)[C@@H]2CCCC[C@H]2C2CC2)ccc1F ZINC000568394499 505683951 /nfs/dbraw/zinc/68/39/51/505683951.db2.gz NXHFEBYSENQQPP-UONOGXRCSA-N -1 3 354.447 3.352 20 0 FGADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N1CCC[C@H]1c1cccc(F)c1 ZINC000068634151 493847835 /nfs/dbraw/zinc/84/78/35/493847835.db2.gz ACQYWFFMRURWTM-INIZCTEOSA-N -1 3 353.353 3.078 20 0 FGADHM CCN(C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)[C@@H](C)c1ccc(F)cc1 ZINC000068630123 493848061 /nfs/dbraw/zinc/84/80/61/493848061.db2.gz DERVSKCCNPKOEY-NSHDSACASA-N -1 3 355.369 3.324 20 0 FGADHM COc1ccc2ncc(C(=O)[O-])c(N(C)Cc3cnc(C(C)C)nc3)c2c1 ZINC000568395844 505684599 /nfs/dbraw/zinc/68/45/99/505684599.db2.gz ZUVASJJKYKQCSX-UHFFFAOYSA-N -1 3 366.421 3.491 20 0 FGADHM CC(C)(C)c1ccc(C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000029688041 493851976 /nfs/dbraw/zinc/85/19/76/493851976.db2.gz AGNVZTCCHQNGRM-UHFFFAOYSA-N -1 3 366.461 3.288 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(NCc3cccc(COC)c3)nc2)n1 ZINC000068666634 493853852 /nfs/dbraw/zinc/85/38/52/493853852.db2.gz DOSDQGUHQRVMFE-UHFFFAOYSA-N -1 3 350.422 3.153 20 0 FGADHM COC(=O)c1ccsc1[N-]C(=O)C(=O)N(C)[C@@H](C)c1ccc(C)cc1 ZINC000076253666 493854856 /nfs/dbraw/zinc/85/48/56/493854856.db2.gz QDOFOONXIIWLRL-LBPRGKRZSA-N -1 3 360.435 3.001 20 0 FGADHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N(C)[C@@H]1CCCC[C@H]1C ZINC000076254373 493855672 /nfs/dbraw/zinc/85/56/72/493855672.db2.gz JRJOZIVHUKSMNQ-DGCLKSJQSA-N -1 3 366.483 3.209 20 0 FGADHM CCC(CC)(CNC(=O)CCc1c(C)nc(C)[n-]c1=O)c1ccccc1 ZINC000081312081 493866046 /nfs/dbraw/zinc/86/60/46/493866046.db2.gz MPQGHNDFLYGSEL-UHFFFAOYSA-N -1 3 355.482 3.194 20 0 FGADHM CCN(CC)[C@H](C[N-]S(=O)(=O)c1cc(F)ccc1F)c1ccsc1 ZINC000058791807 493884827 /nfs/dbraw/zinc/88/48/27/493884827.db2.gz HFUGPDBUCVDUIG-OAHLLOKOSA-N -1 3 374.478 3.388 20 0 FGADHM COC(=O)c1sccc1S(=O)(=O)[N-]C[C@H](c1ccccc1)C(C)C ZINC000030378140 493888846 /nfs/dbraw/zinc/88/88/46/493888846.db2.gz KIESLSAFQWWSLS-AWEZNQCLSA-N -1 3 367.492 3.253 20 0 FGADHM O=S(=O)([N-]Cc1cc(F)cc(F)c1)c1ccc(Br)s1 ZINC000030518300 493894289 /nfs/dbraw/zinc/89/42/89/493894289.db2.gz BOAJSESYMVEOEZ-UHFFFAOYSA-N -1 3 368.224 3.267 20 0 FGADHM O=S(=O)([N-][C@H]1CCOc2ccc(F)cc21)c1cc(F)ccc1Cl ZINC000068938063 493898312 /nfs/dbraw/zinc/89/83/12/493898312.db2.gz ZCSFPTHNSZTEKI-ZDUSSCGKSA-N -1 3 359.781 3.420 20 0 FGADHM O=C(Cc1ccc(Cl)c(Cl)c1)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000068962547 493900244 /nfs/dbraw/zinc/90/02/44/493900244.db2.gz UBOCHMOFIYBLLJ-UHFFFAOYSA-N -1 3 362.220 3.032 20 0 FGADHM O=C(Cc1ccc(Cl)c(Cl)c1)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000068962547 493900247 /nfs/dbraw/zinc/90/02/47/493900247.db2.gz UBOCHMOFIYBLLJ-UHFFFAOYSA-N -1 3 362.220 3.032 20 0 FGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)c1cc(Cl)sc1Cl ZINC000068973977 493902573 /nfs/dbraw/zinc/90/25/73/493902573.db2.gz FPWRKMVSVFYJQN-UHFFFAOYSA-N -1 3 354.222 3.165 20 0 FGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)c1cc(Cl)sc1Cl ZINC000068973977 493902576 /nfs/dbraw/zinc/90/25/76/493902576.db2.gz FPWRKMVSVFYJQN-UHFFFAOYSA-N -1 3 354.222 3.165 20 0 FGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc(N2CCCC2)c(F)c1 ZINC000081561545 493916889 /nfs/dbraw/zinc/91/68/89/493916889.db2.gz IGAISPHMBAFDSK-UHFFFAOYSA-N -1 3 372.444 3.367 20 0 FGADHM CN(C)[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1F)c1cccc(F)c1 ZINC000069090355 493920208 /nfs/dbraw/zinc/92/02/08/493920208.db2.gz GRKPLCICERGLPT-HNNXBMFYSA-N -1 3 374.840 3.199 20 0 FGADHM COc1cc(CCC(=O)Nc2ncccc2[O-])ccc1OCC(F)(F)F ZINC000060339497 493924322 /nfs/dbraw/zinc/92/43/22/493924322.db2.gz FHKBLQKPNCSCAN-UHFFFAOYSA-N -1 3 370.327 3.308 20 0 FGADHM CC(C)[C@@H]([N-]S(=O)(=O)c1ccc2c(c1)CCC2)c1nc(C2CC2)no1 ZINC000069128791 493926351 /nfs/dbraw/zinc/92/63/51/493926351.db2.gz OZFUFURDMXHYJM-MRXNPFEDSA-N -1 3 361.467 3.111 20 0 FGADHM O=C([N-]c1nncs1)c1cnn(-c2ccccc2F)c1C(F)(F)F ZINC000031273235 493936449 /nfs/dbraw/zinc/93/64/49/493936449.db2.gz YVOSOCAKOOWNHP-UHFFFAOYSA-N -1 3 357.292 3.134 20 0 FGADHM O=C([O-])CCC1CCN(CCOc2cccc(Br)c2)CC1 ZINC000050926284 493938578 /nfs/dbraw/zinc/93/85/78/493938578.db2.gz VTTAQLCGBCROIA-UHFFFAOYSA-N -1 3 356.260 3.405 20 0 FGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CC[C@H](c2ccccc2F)C1 ZINC000081688343 493942883 /nfs/dbraw/zinc/94/28/83/493942883.db2.gz NLNCZEFYLJBJGR-ZDUSSCGKSA-N -1 3 357.429 3.145 20 0 FGADHM CCc1cccc(C(=O)N2CCC(NC(=O)c3ccc(F)cc3)CC2)c1[O-] ZINC000081731329 493947276 /nfs/dbraw/zinc/94/72/76/493947276.db2.gz GLMSLPKNUMIXMF-UHFFFAOYSA-N -1 3 370.424 3.128 20 0 FGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCCc1ccc(F)cc1Cl ZINC000081744943 493949508 /nfs/dbraw/zinc/94/95/08/493949508.db2.gz IKOKWMAWUPHMGK-UHFFFAOYSA-N -1 3 365.836 3.141 20 0 FGADHM Cc1ccc(C(=O)[N-]c2cc(-c3ccc(OC(F)F)cc3)no2)c(=O)[nH]1 ZINC000081763621 493952894 /nfs/dbraw/zinc/95/28/94/493952894.db2.gz VTANQBBXTLLSPS-UHFFFAOYSA-N -1 3 361.304 3.192 20 0 FGADHM CCc1cccc(C(=O)N[C@H](C)c2nc(Cc3ccccc3)no2)c1[O-] ZINC000081808869 493958042 /nfs/dbraw/zinc/95/80/42/493958042.db2.gz GUHJCVSMWSBPFR-CYBMUJFWSA-N -1 3 351.406 3.419 20 0 FGADHM O=C(Nc1ccccc1[O-])c1cccc(CN2C(=O)c3ccccc3C2=O)c1 ZINC000069649400 493992363 /nfs/dbraw/zinc/99/23/63/493992363.db2.gz IRMWQNPBHAZJGV-UHFFFAOYSA-N -1 3 372.380 3.441 20 0 FGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2ccncc2)ccc1Cl ZINC000032725856 494007626 /nfs/dbraw/zinc/00/76/26/494007626.db2.gz UTPUOLFGBSLLGO-UHFFFAOYSA-N -1 3 367.858 3.064 20 0 FGADHM COc1cc(NCc2cc(=O)oc3c(C)c([O-])ccc23)cc(OC)c1OC ZINC000007224234 494008005 /nfs/dbraw/zinc/00/80/05/494008005.db2.gz WEVVYKIXLRGTEB-UHFFFAOYSA-N -1 3 371.389 3.445 20 0 FGADHM Cc1ccc([O-])c(C(=O)N2CCC(NC(=O)c3ccccc3C)CC2)c1 ZINC000032743166 494011535 /nfs/dbraw/zinc/01/15/35/494011535.db2.gz IAPVELGTUWPCLB-UHFFFAOYSA-N -1 3 352.434 3.044 20 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ZINC000064374646 494118318 /nfs/dbraw/zinc/11/83/18/494118318.db2.gz QTLYHJPZOKADED-UHFFFAOYSA-N -1 3 369.826 3.244 20 0 FGADHM CCOC(=O)[C@@H]1CCCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000072067424 494123444 /nfs/dbraw/zinc/12/34/44/494123444.db2.gz BVHXNVYSHAAKGE-GOSISDBHSA-N -1 3 367.445 3.398 20 0 FGADHM Cc1ccc([C@@H]2CCCCN2C(=O)CNC(=O)c2ccc([O-])cc2)cc1 ZINC000085612761 494134621 /nfs/dbraw/zinc/13/46/21/494134621.db2.gz BLZJYBVBNHQYHM-IBGZPJMESA-N -1 3 352.434 3.184 20 0 FGADHM O=C(NCc1ccc(Br)s1)c1cc(=O)c2ccccc2[n-]1 ZINC000053459657 494134703 /nfs/dbraw/zinc/13/47/03/494134703.db2.gz QNDHVSAFGUQQOW-UHFFFAOYSA-N -1 3 363.236 3.282 20 0 FGADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2ccccc2C(F)(F)F)CC1 ZINC000085785756 494138520 /nfs/dbraw/zinc/13/85/20/494138520.db2.gz VQXQRNCHFXAALY-UHFFFAOYSA-N -1 3 364.367 3.369 20 0 FGADHM Cc1cc([N-]C(=O)[C@@H](C)N2CCC(Oc3cc(C)ccc3C)CC2)on1 ZINC000064631609 494139415 /nfs/dbraw/zinc/13/94/15/494139415.db2.gz BBDFGGXKJLCQRA-MRXNPFEDSA-N -1 3 357.454 3.470 20 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SZXAFZSAJPPYHZ-UHFFFAOYSA-N -1 3 372.428 3.424 20 0 FGADHM COc1cc(OC)c(C(=O)[N-]c2nc(-c3ccccc3)ns2)cc1OC ZINC000042090638 494200014 /nfs/dbraw/zinc/20/00/14/494200014.db2.gz WIJMWFPSAKIHGU-UHFFFAOYSA-N -1 3 371.418 3.483 20 0 FGADHM CC[C@@H]([N-]S(=O)(=O)c1cccc(Br)c1)c1nccs1 ZINC000078004902 494213042 /nfs/dbraw/zinc/21/30/42/494213042.db2.gz IQIZWKQNYVELQI-LLVKDONJSA-N -1 3 361.286 3.335 20 0 FGADHM COc1ccc(C(=O)NCCc2cc(Br)ccc2F)c([O-])c1 ZINC000065567373 494213564 /nfs/dbraw/zinc/21/35/64/494213564.db2.gz PKKNIMGAYMQSFW-UHFFFAOYSA-N -1 3 368.202 3.275 20 0 FGADHM O=C(CSc1ccc2c(c1)CCC2)Nc1cccc(-c2nnn[n-]2)c1 ZINC000072648995 494225594 /nfs/dbraw/zinc/22/55/94/494225594.db2.gz VYHAUEDXZBBALO-UHFFFAOYSA-N -1 3 351.435 3.086 20 0 FGADHM O=C(CSc1ccc2c(c1)CCC2)Nc1cccc(-c2nn[n-]n2)c1 ZINC000072648995 494225598 /nfs/dbraw/zinc/22/55/98/494225598.db2.gz VYHAUEDXZBBALO-UHFFFAOYSA-N -1 3 351.435 3.086 20 0 FGADHM CC(C)C[C@H](NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)c1ccccc1 ZINC000065770713 494235606 /nfs/dbraw/zinc/23/56/06/494235606.db2.gz ZRLHQTCCSQWOMB-KRWDZBQOSA-N -1 3 351.406 3.479 20 0 FGADHM CC[C@@H]1c2ccsc2CCN1C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000065790393 494238631 /nfs/dbraw/zinc/23/86/31/494238631.db2.gz ZRALZZIQXBQVNR-CQSZACIVSA-N -1 3 355.419 3.173 20 0 FGADHM Cc1ccc(Br)cc1NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000065801681 494239972 /nfs/dbraw/zinc/23/99/72/494239972.db2.gz YYDNVJSCKCXRCQ-UHFFFAOYSA-N -1 3 374.194 3.285 20 0 FGADHM COc1ccc(F)c([N-]S(=O)(=O)c2ccc(F)c3ncccc23)c1 ZINC000088547033 494248688 /nfs/dbraw/zinc/24/86/88/494248688.db2.gz QWVQOPBZPJAPSE-UHFFFAOYSA-N -1 3 350.346 3.322 20 0 FGADHM Cc1ccc(NC(=O)c2ccc3n[n-]nc3c2)c(OCC(F)(F)F)c1 ZINC000065871403 494250137 /nfs/dbraw/zinc/25/01/37/494250137.db2.gz UVOQUFJKZXVDDF-UHFFFAOYSA-N -1 3 350.300 3.460 20 0 FGADHM COc1ccc([O-])c(C(=O)N(C)CC(=O)Nc2c(C)cc(C)cc2C)c1 ZINC000078225493 494256034 /nfs/dbraw/zinc/25/60/34/494256034.db2.gz ODBJMFDNCRIKLC-UHFFFAOYSA-N -1 3 356.422 3.037 20 0 FGADHM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2F)cc1 ZINC000078235175 494259144 /nfs/dbraw/zinc/25/91/44/494259144.db2.gz PGZYVHUKTXNTIY-UHFFFAOYSA-N -1 3 356.806 3.263 20 0 FGADHM COc1ccc(-c2csc3[n-]c(-c4cnn(C)c4)nc(=O)c23)cc1OC ZINC000054752131 494266442 /nfs/dbraw/zinc/26/64/42/494266442.db2.gz VVZFCGAXJGXULH-UHFFFAOYSA-N -1 3 368.418 3.069 20 0 FGADHM CN(C)CCOc1ccc([N-]S(=O)(=O)c2cccs2)cc1Cl ZINC000072913410 494283243 /nfs/dbraw/zinc/28/32/43/494283243.db2.gz MIVLNCFEDHOAPG-UHFFFAOYSA-N -1 3 360.888 3.143 20 0 FGADHM O=C(Cc1ccc([O-])c(Cl)c1)NC1CCN(Cc2ccccc2)CC1 ZINC000013779915 494297126 /nfs/dbraw/zinc/29/71/26/494297126.db2.gz VVDFTDGRVOFSJB-UHFFFAOYSA-N -1 3 358.869 3.369 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N(C)Cc2ccc(OC(F)F)cc2)c1 ZINC000055113424 494303556 /nfs/dbraw/zinc/30/35/56/494303556.db2.gz GHVOXCBSENLWPL-UHFFFAOYSA-N -1 3 364.348 3.224 20 0 FGADHM Cc1ccc(C(=O)NCC(=O)Nc2cc(C(F)(F)F)ccc2[O-])cc1C ZINC000078490953 494307380 /nfs/dbraw/zinc/30/73/80/494307380.db2.gz VLSQPWJCIUKLAS-UHFFFAOYSA-N -1 3 366.339 3.396 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC(C(=O)c3ccccc3)CC2)c1 ZINC000055163980 494309219 /nfs/dbraw/zinc/30/92/19/494309219.db2.gz HCWWVFPOTCKJJY-UHFFFAOYSA-N -1 3 366.417 3.086 20 0 FGADHM C[C@H](OC[C@@H]1CCCCO1)C(=O)Nc1ccc(Br)cc1[O-] ZINC000066315108 494310387 /nfs/dbraw/zinc/31/03/87/494310387.db2.gz AQHOYMQLXZZXJU-JQWIXIFHSA-N -1 3 358.232 3.067 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(SC)cc2)cc1NC(C)=O ZINC000014871277 494327263 /nfs/dbraw/zinc/32/72/63/494327263.db2.gz PEUUQPOHNIVTHP-UHFFFAOYSA-N -1 3 366.464 3.176 20 0 FGADHM CC[C@@H](C)NC(=O)[C@H](C)Sc1n[n-]c(COc2ccc(Cl)cc2)n1 ZINC000078604149 494328085 /nfs/dbraw/zinc/32/80/85/494328085.db2.gz JKRPJHPWYVZFRU-MNOVXSKESA-N -1 3 368.890 3.432 20 0 FGADHM O=C(NCCCc1cccc(Br)c1)c1ccc2n[n-]nc2c1 ZINC000066443463 494337106 /nfs/dbraw/zinc/33/71/06/494337106.db2.gz CIYUSZYFPBBTIW-UHFFFAOYSA-N -1 3 359.227 3.083 20 0 FGADHM O=C(CCNc1ncc(C(F)(F)F)cc1Cl)Nc1ncccc1[O-] ZINC000078798872 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O=C(NCC1(c2ccccc2Cl)CC1)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000126721814 494825770 /nfs/dbraw/zinc/82/57/70/494825770.db2.gz RCPJSZFJLDKUBO-UHFFFAOYSA-N -1 3 369.808 3.077 20 0 FGADHM CCCOc1ccccc1NC(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC000116652280 494832311 /nfs/dbraw/zinc/83/23/11/494832311.db2.gz SCHHKBFQQNMDMG-UHFFFAOYSA-N -1 3 356.422 3.248 20 0 FGADHM C[C@@H](Cc1cccs1)[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000026880309 494843391 /nfs/dbraw/zinc/84/33/91/494843391.db2.gz SXWHJTJWZDHDJB-QMMMGPOBSA-N -1 3 366.327 3.482 20 0 FGADHM Cc1cccc(NC(=O)[C@@H]2CSCN2C(=O)c2cccc(C)c2[O-])c1C ZINC000109213652 494846848 /nfs/dbraw/zinc/84/68/48/494846848.db2.gz ZIQNOYATRXKFBA-KRWDZBQOSA-N -1 3 370.474 3.471 20 0 FGADHM Cc1cccc(C(=O)NCCc2nc(-c3ccc(Cl)cc3)no2)c1[O-] ZINC000109219334 494848650 /nfs/dbraw/zinc/84/86/50/494848650.db2.gz HHVSYUSOKWFFTO-UHFFFAOYSA-N -1 3 357.797 3.377 20 0 FGADHM COc1cccc(C(=O)NCCc2nc(-c3ccc(Cl)cc3)no2)c1[O-] ZINC000109219409 494849074 /nfs/dbraw/zinc/84/90/74/494849074.db2.gz BIFAMNDWDKANRU-UHFFFAOYSA-N -1 3 373.796 3.077 20 0 FGADHM Cc1nc(C)c(CC(=O)N[C@@H](CC(C)C)c2ccc(Cl)cc2)c(=O)[n-]1 ZINC000126948528 494866552 /nfs/dbraw/zinc/86/65/52/494866552.db2.gz VJNXOGLFNRWHHN-KRWDZBQOSA-N -1 3 361.873 3.486 20 0 FGADHM CCN(CC)[C@@H](C[N-]S(=O)(=O)c1ccc(F)cc1Cl)c1ccco1 ZINC000109390411 494867482 /nfs/dbraw/zinc/86/74/82/494867482.db2.gz MJPQRHNCWQYJQR-AWEZNQCLSA-N -1 3 374.865 3.434 20 0 FGADHM CCN(CC)[C@H](C[N-]S(=O)(=O)c1cccc(Cl)c1F)c1ccco1 ZINC000109389526 494867664 /nfs/dbraw/zinc/86/76/64/494867664.db2.gz GJMVAGHBBZSEGD-CYBMUJFWSA-N -1 3 374.865 3.434 20 0 FGADHM C[C@@H]1CCCC[C@H]1c1noc(CC[N-]S(=O)(=O)c2ccccc2F)n1 ZINC000574326077 505747328 /nfs/dbraw/zinc/74/73/28/505747328.db2.gz ABKVDWCMUTUMLA-CHWSQXEVSA-N -1 3 367.446 3.023 20 0 FGADHM Cc1cc(Cl)cc(NC(=O)CCc2nc(-c3ccncc3)no2)c1[O-] ZINC000116980693 494879239 /nfs/dbraw/zinc/87/92/39/494879239.db2.gz AQOFLPYBADUYBL-UHFFFAOYSA-N -1 3 358.785 3.370 20 0 FGADHM Cc1cc(Cl)cc(NC(=O)CCn2c3ccccc3n(C)c2=O)c1[O-] ZINC000116980688 494879570 /nfs/dbraw/zinc/87/95/70/494879570.db2.gz HLCVWVAGVZOKGB-UHFFFAOYSA-N -1 3 359.813 3.036 20 0 FGADHM O=S(=O)([N-]Cc1nc(C2CCCCC2)no1)c1ccc(Cl)s1 ZINC000109529866 494886006 /nfs/dbraw/zinc/88/60/06/494886006.db2.gz BUILBDZWHSQALH-UHFFFAOYSA-N -1 3 361.876 3.311 20 0 FGADHM COc1ccc([C@H](CO)N(C)Cc2cc([O-])ccc2Br)cc1 ZINC000093415701 494889256 /nfs/dbraw/zinc/88/92/56/494889256.db2.gz BIHXHERYJOMLAG-KRWDZBQOSA-N -1 3 366.255 3.329 20 0 FGADHM COC(=O)c1sc2[n-]c(CN3CCCC(C)(C)CC3)nc(=O)c2c1C ZINC000127088396 494891198 /nfs/dbraw/zinc/89/11/98/494891198.db2.gz JZQIFYTVKVHGNJ-UHFFFAOYSA-N -1 3 363.483 3.092 20 0 FGADHM C[C@H](Sc1n[n-]c(-c2ccccn2)n1)C(=O)Nc1ccc(Cl)cn1 ZINC000117113617 494891782 /nfs/dbraw/zinc/89/17/82/494891782.db2.gz PMEPGJLKUZBNQX-VIFPVBQESA-N -1 3 360.830 3.034 20 0 FGADHM Cc1ccccc1CCNC(=O)[C@@H](C)Sc1n[n-]c(-c2ccccn2)n1 ZINC000117115763 494893086 /nfs/dbraw/zinc/89/30/86/494893086.db2.gz HKGUJPWGBWKFBX-CQSZACIVSA-N -1 3 367.478 3.015 20 0 FGADHM O=C(NCc1cccc(COCC(F)(F)F)c1)c1ccc(O)cc1[O-] ZINC000132606226 494898681 /nfs/dbraw/zinc/89/86/81/494898681.db2.gz NNJBYOUAIWQULQ-UHFFFAOYSA-N -1 3 355.312 3.107 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(C(C)(C)C)s1)C(=O)Nc1ccccc1 ZINC000122011094 494908274 /nfs/dbraw/zinc/90/82/74/494908274.db2.gz AYENPVVYVOZAPT-GFCCVEGCSA-N -1 3 366.508 3.351 20 0 FGADHM O=C(c1ccc2n[n-]nc2c1)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000109693153 494908284 /nfs/dbraw/zinc/90/82/84/494908284.db2.gz FYKXZPCKXXZLAR-GOSISDBHSA-N -1 3 370.840 3.197 20 0 FGADHM COc1cccc(C(=O)Nc2cccc(Cl)c2N2CCOCC2)c1[O-] ZINC000122103474 494923707 /nfs/dbraw/zinc/92/37/07/494923707.db2.gz NIKZWVGLIWJJQX-UHFFFAOYSA-N -1 3 362.813 3.143 20 0 FGADHM O=S(=O)([N-]CC1(CCO)CCC1)c1ccc(Cl)cc1C(F)(F)F ZINC000127334881 494929677 /nfs/dbraw/zinc/92/96/77/494929677.db2.gz QJNAWNWPGLBRHI-UHFFFAOYSA-N -1 3 371.808 3.190 20 0 FGADHM CC(C)CC(=O)NCCc1ccc(S(=O)(=O)[N-][C@H](C)CC(C)C)s1 ZINC000093927458 494936733 /nfs/dbraw/zinc/93/67/33/494936733.db2.gz HKCAYVCVZLMHAB-CQSZACIVSA-N -1 3 374.572 3.166 20 0 FGADHM CCNC(=O)c1ccc(C)c(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)c1 ZINC000094014463 494939279 /nfs/dbraw/zinc/93/92/79/494939279.db2.gz ZISSJDRXBXUMOX-UHFFFAOYSA-N -1 3 368.433 3.416 20 0 FGADHM O=C([N-]c1c(F)cccc1F)c1cnn2cc(Br)cnc12 ZINC000094034011 494941604 /nfs/dbraw/zinc/94/16/04/494941604.db2.gz YNTIMRTYBNWWEC-UHFFFAOYSA-N -1 3 353.126 3.022 20 0 FGADHM Cc1ccc([O-])c(C(=O)Nc2ccc(C(N)=O)c(N3CCCCC3)c2)c1 ZINC000094138040 494953973 /nfs/dbraw/zinc/95/39/73/494953973.db2.gz NLNUSJJEQQXXLN-UHFFFAOYSA-N -1 3 353.422 3.042 20 0 FGADHM CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1ccccc1[O-] ZINC000127520938 494956459 /nfs/dbraw/zinc/95/64/59/494956459.db2.gz JSOBFVVLARHPOA-KSSFIOAISA-N -1 3 352.434 3.330 20 0 FGADHM CC[C@@H]([N-]S(=O)(=O)c1cc(F)c(C)cc1F)c1c(C)nn(C)c1C ZINC000122354700 494962935 /nfs/dbraw/zinc/96/29/35/494962935.db2.gz HOTGEQCPYNCLFX-CQSZACIVSA-N -1 3 357.426 3.053 20 0 FGADHM COC(=O)c1ccc(F)c([N-]C(=O)c2c(C)onc2-c2ccccn2)c1 ZINC000122438141 494974906 /nfs/dbraw/zinc/97/49/06/494974906.db2.gz ZSFKOPLDFRMFML-UHFFFAOYSA-N -1 3 355.325 3.223 20 0 FGADHM CC(C)c1n[nH]c(C(=O)NCc2ccc([O-])c(F)c2)c1Br ZINC000133182408 494981504 /nfs/dbraw/zinc/98/15/04/494981504.db2.gz DARRNNIXJYLLQR-UHFFFAOYSA-N -1 3 356.195 3.070 20 0 FGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(NC(=O)c2cccc(F)c2)ccc1F ZINC000133230725 494988065 /nfs/dbraw/zinc/98/80/65/494988065.db2.gz HRPRIESXBFIKPV-UHFFFAOYSA-N -1 3 368.405 3.294 20 0 FGADHM CCCS(=O)(=O)[N-]c1cc(NC(=O)Cc2ccsc2)c(F)cc1F ZINC000110688803 495001068 /nfs/dbraw/zinc/00/10/68/495001068.db2.gz RJWZWMATRLVNNG-UHFFFAOYSA-N -1 3 374.434 3.359 20 0 FGADHM CC[C@]1(c2ccc(NC(=O)c3cccc(C)c3[O-])cc2)CCC(=O)NC1=O ZINC000097152436 495026287 /nfs/dbraw/zinc/02/62/87/495026287.db2.gz IGVJTNYDJXDKIA-OAQYLSRUSA-N -1 3 366.417 3.037 20 0 FGADHM C[C@@H]1C[C@@H](C)CN(C(=O)Cc2csc(NC(=O)c3cccc([O-])c3)n2)C1 ZINC000118757183 495032265 /nfs/dbraw/zinc/03/22/65/495032265.db2.gz ZJZKMGPJFKEURG-CHWSQXEVSA-N -1 3 373.478 3.148 20 0 FGADHM C[C@H]1Sc2ccc(-c3nc(-c4ccc5n[n-]nc5c4)no3)cc2NC1=O ZINC000568707701 505757368 /nfs/dbraw/zinc/75/73/68/505757368.db2.gz LMSGLKKRTBVKES-MRVPVSSYSA-N -1 3 364.390 3.108 20 0 FGADHM Cc1nn(C)c(C)c1[C@@H](C)C(=O)Nc1nnc(-c2cc3ccccc3o2)[n-]1 ZINC000580428217 505757576 /nfs/dbraw/zinc/75/75/76/505757576.db2.gz BWTULYHVUYCGPS-SNVBAGLBSA-N -1 3 364.409 3.310 20 0 FGADHM Cc1nn(C)c(C)c1[C@@H](C)C(=O)Nc1nc(-c2cc3ccccc3o2)n[n-]1 ZINC000580428217 505757577 /nfs/dbraw/zinc/75/75/77/505757577.db2.gz BWTULYHVUYCGPS-SNVBAGLBSA-N -1 3 364.409 3.310 20 0 FGADHM Cc1nn(C)c(C)c1[C@@H](C)C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000580428217 505757578 /nfs/dbraw/zinc/75/75/78/505757578.db2.gz BWTULYHVUYCGPS-SNVBAGLBSA-N -1 3 364.409 3.310 20 0 FGADHM CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)[N-]c1cccc(-c3ncco3)c1)C(=O)C2 ZINC000133653606 495042191 /nfs/dbraw/zinc/04/21/91/495042191.db2.gz FOCZFSFAAPHIGU-LIRRHRJNSA-N -1 3 374.462 3.479 20 0 FGADHM COc1ccc([O-])c(C(=O)Nc2ccc(Br)c(OC)c2)c1 ZINC000118825303 495042862 /nfs/dbraw/zinc/04/28/62/495042862.db2.gz YOSAHJZTORVELP-UHFFFAOYSA-N -1 3 352.184 3.424 20 0 FGADHM O=C(NCCNC(=O)c1ccc([O-])cc1)c1cc2c(ccc3ccccc23)[nH]1 ZINC000128184105 495056968 /nfs/dbraw/zinc/05/69/68/495056968.db2.gz PYISACBOFKTNAV-UHFFFAOYSA-N -1 3 373.412 3.187 20 0 FGADHM COc1ccc([O-])c(C(=O)Nc2ccc(C(=O)NCC(C)C)cc2C)c1 ZINC000122962156 495060418 /nfs/dbraw/zinc/06/04/18/495060418.db2.gz FAWJLQNYKCVBRE-UHFFFAOYSA-N -1 3 356.422 3.347 20 0 FGADHM COc1ccc(Br)c([N-]S(=O)(=O)c2cccc(F)c2)c1 ZINC000111324841 495064225 /nfs/dbraw/zinc/06/42/25/495064225.db2.gz PTLLGUCNBDBIGN-UHFFFAOYSA-N -1 3 360.204 3.398 20 0 FGADHM O=C(CCNC(=O)c1ccc2ccccc2c1)Nc1cccc([O-])c1F ZINC000128229428 495064235 /nfs/dbraw/zinc/06/42/35/495064235.db2.gz ZVDRGZPMRAVXCE-UHFFFAOYSA-N -1 3 352.365 3.443 20 0 FGADHM Cc1nc(C)c(CC(=O)N[C@@H](c2ccc(CC(C)C)cc2)C2CC2)c(=O)[n-]1 ZINC000101524344 495070787 /nfs/dbraw/zinc/07/07/87/495070787.db2.gz FLRHXWYKHVNDTC-NRFANRHFSA-N -1 3 367.493 3.395 20 0 FGADHM O=C(c1c([O-])cccc1F)N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000119036351 495077137 /nfs/dbraw/zinc/07/71/37/495077137.db2.gz BAHCMMDSXOXEKC-AWEZNQCLSA-N -1 3 366.396 3.336 20 0 FGADHM COC(=O)C1CCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])CC1 ZINC000101627411 495087519 /nfs/dbraw/zinc/08/75/19/495087519.db2.gz FDCLTBKZRBTGKO-UHFFFAOYSA-N -1 3 367.445 3.203 20 0 FGADHM CN1C(=O)C[C@H](C(=O)Nc2cccc([O-])c2F)[C@H]1c1cccc(Cl)c1 ZINC000128420966 495094281 /nfs/dbraw/zinc/09/42/81/495094281.db2.gz KXUZDBMWKVZEGC-YVEFUNNKSA-N -1 3 362.788 3.343 20 0 FGADHM Cc1ccccc1C1CCN(C(=O)c2cnc3c(cnn3C)c2[O-])CC1 ZINC000119228417 495122007 /nfs/dbraw/zinc/12/20/07/495122007.db2.gz XERPEYXUAIUYAF-UHFFFAOYSA-N -1 3 350.422 3.002 20 0 FGADHM CCC(CC)n1nccc1C(=O)Nc1n[n-]c(-c2ccccc2OC)n1 ZINC000123394141 495126236 /nfs/dbraw/zinc/12/62/36/495126236.db2.gz FZFISCNFQHTOTP-UHFFFAOYSA-N -1 3 354.414 3.290 20 0 FGADHM C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)c2cnc3c(cnn3C)c2[O-])C1 ZINC000119291139 495135624 /nfs/dbraw/zinc/13/56/24/495135624.db2.gz FTFNVVYCRHPTOD-BDJLRTHQSA-N -1 3 354.385 3.036 20 0 FGADHM CC[C@@H]1CN(C(=O)c2cnc3c(cnn3C)c2[O-])CC[C@@H]1c1ccccc1 ZINC000119306456 495138351 /nfs/dbraw/zinc/13/83/51/495138351.db2.gz NNIQRUOGJZOSSI-ZBFHGGJFSA-N -1 3 364.449 3.330 20 0 FGADHM COc1cccc(C(=O)Nc2cccc(-c3n[nH]c(C4CC4)n3)c2)c1[O-] ZINC000102626389 495147088 /nfs/dbraw/zinc/14/70/88/495147088.db2.gz SGZQQAVBRFOHDG-UHFFFAOYSA-N -1 3 350.378 3.316 20 0 FGADHM CCNc1ncc(C(=O)[N-]c2nnc(Cc3ccccc3F)s2)s1 ZINC000128773697 495148499 /nfs/dbraw/zinc/14/84/99/495148499.db2.gz BCZZIUFGCBEUJE-UHFFFAOYSA-N -1 3 363.443 3.409 20 0 FGADHM O=C(COc1cc(Cl)cc(Cl)c1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000123604532 495159299 /nfs/dbraw/zinc/15/92/99/495159299.db2.gz VMDADEZBDHPYGZ-UHFFFAOYSA-N -1 3 364.192 3.191 20 0 FGADHM O=C(COc1cc(Cl)cc(Cl)c1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000123604532 495159302 /nfs/dbraw/zinc/15/93/02/495159302.db2.gz VMDADEZBDHPYGZ-UHFFFAOYSA-N -1 3 364.192 3.191 20 0 FGADHM COc1c(C(=O)[N-]c2nnc(-c3ccccc3Cl)s2)c(C)nn1C ZINC000112277505 495166742 /nfs/dbraw/zinc/16/67/42/495166742.db2.gz VVEAXFKAAPSXOQ-UHFFFAOYSA-N -1 3 363.830 3.161 20 0 FGADHM Cc1cc(C)nc(-n2cc(C(=O)Nc3ccc([O-])cc3F)c(C(C)C)n2)n1 ZINC000119436489 495167295 /nfs/dbraw/zinc/16/72/95/495167295.db2.gz AXWCIAWINFGPJQ-UHFFFAOYSA-N -1 3 369.400 3.500 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H](C)C[C@@H](O)c3cccs3)nc2)n1 ZINC000128941497 495171625 /nfs/dbraw/zinc/17/16/25/495171625.db2.gz UXBLZZRTKYQMCS-IUODEOHRSA-N -1 3 370.478 3.380 20 0 FGADHM Cc1cc(C)cc(C2=CCN(C(=O)c3cnc4c(cnn4C)c3[O-])CC2)c1 ZINC000119470766 495173215 /nfs/dbraw/zinc/17/32/15/495173215.db2.gz FLDUXXKRQWIKDR-UHFFFAOYSA-N -1 3 362.433 3.220 20 0 FGADHM O=C(c1c[n-]c2ccccc2c1=O)N1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000102941540 495174910 /nfs/dbraw/zinc/17/49/10/495174910.db2.gz DQIVOILBIVLSCE-QGZVFWFLSA-N -1 3 362.385 3.234 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C[C@H]2CCOC2)c2ccccc2)c1 ZINC000123729981 495178059 /nfs/dbraw/zinc/17/80/59/495178059.db2.gz XQSLVJKXKQMPKV-BEFAXECRSA-N -1 3 368.433 3.248 20 0 FGADHM Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCOC3(CCCCC3)C2)cc1F ZINC000134663904 495183229 /nfs/dbraw/zinc/18/32/29/495183229.db2.gz KZTSOYPXKSJSRT-CYBMUJFWSA-N -1 3 359.438 3.433 20 0 FGADHM Cc1cc(C)c2c(=O)[n-]c(SCC(=O)N[C@@H](C)c3cccs3)nc2n1 ZINC000119590657 495197528 /nfs/dbraw/zinc/19/75/28/495197528.db2.gz DIFWWOONEILHKS-NSHDSACASA-N -1 3 374.491 3.378 20 0 FGADHM CC(C)[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cncc(Br)c1 ZINC000112674507 495221222 /nfs/dbraw/zinc/22/12/22/495221222.db2.gz UOTSKGDYNRBYNF-KGLIPLIRSA-N -1 3 361.305 3.337 20 0 FGADHM CCC1(CC)[C@@H](NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)C[C@@H]1OC ZINC000119755251 495234254 /nfs/dbraw/zinc/23/42/54/495234254.db2.gz UYEZSGCQROGFJD-HOTGVXAUSA-N -1 3 360.429 3.299 20 0 FGADHM Cc1nc(C)c(CCC(=O)N(Cc2ccco2)Cc2cccs2)c(=O)[n-]1 ZINC000119763591 495235830 /nfs/dbraw/zinc/23/58/30/495235830.db2.gz QDHQOGVTIYLQOR-UHFFFAOYSA-N -1 3 371.462 3.203 20 0 FGADHM CCN(CCC(=O)OC)Cc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000103471616 495237952 /nfs/dbraw/zinc/23/79/52/495237952.db2.gz XHIIBCKNSHPJSB-UHFFFAOYSA-N -1 3 371.462 3.037 20 0 FGADHM Cc1cccc(C)c1NC(=O)C[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000119807742 495246080 /nfs/dbraw/zinc/24/60/80/495246080.db2.gz IQDTZZJFRFRLPN-UHFFFAOYSA-N -1 3 370.833 3.013 20 0 FGADHM COc1ccc(C(=O)N[C@H](C)c2cnn(Cc3ccccc3)c2)c([O-])c1 ZINC000124186603 495248069 /nfs/dbraw/zinc/24/80/69/495248069.db2.gz HXLUHDSBADEVED-CQSZACIVSA-N -1 3 351.406 3.137 20 0 FGADHM Cn1ccnc1-c1cc(NC(=O)c2cccc(Oc3ccncc3)c2)n[n-]1 ZINC000119858805 495256231 /nfs/dbraw/zinc/25/62/31/495256231.db2.gz MLDCULJXOOSXGY-UHFFFAOYSA-N -1 3 360.377 3.250 20 0 FGADHM Cn1ccnc1-c1cc(NC(=O)c2cccc(Oc3ccncc3)c2)[n-]n1 ZINC000119858805 495256236 /nfs/dbraw/zinc/25/62/36/495256236.db2.gz MLDCULJXOOSXGY-UHFFFAOYSA-N -1 3 360.377 3.250 20 0 FGADHM COC(=O)[C@H]1C[C@H]1C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000129517325 495256329 /nfs/dbraw/zinc/25/63/29/495256329.db2.gz IZKRNJRILYXRHO-NEPJUHHUSA-N -1 3 368.414 3.417 20 0 FGADHM O=C(CCCC(=O)Nc1ccc(O)cc1F)Nc1ccc([O-])cc1F ZINC000124275418 495261892 /nfs/dbraw/zinc/26/18/92/495261892.db2.gz FKOYQLNMVDFQDS-UHFFFAOYSA-N -1 3 350.321 3.124 20 0 FGADHM CCOC(=O)CCc1ccc(NC(=O)c2c[n-]c3ccccc3c2=O)cc1 ZINC000124293195 495264549 /nfs/dbraw/zinc/26/45/49/495264549.db2.gz WHHUPENDFBYKLI-UHFFFAOYSA-N -1 3 364.401 3.276 20 0 FGADHM CCOC(=O)CCc1ccc(NC(=O)c2cnc3ccccc3c2[O-])cc1 ZINC000124293195 495264551 /nfs/dbraw/zinc/26/45/51/495264551.db2.gz WHHUPENDFBYKLI-UHFFFAOYSA-N -1 3 364.401 3.276 20 0 FGADHM Cc1nn(C)c2sc(C(=O)Nc3cncc(Br)c3[O-])cc12 ZINC000129621911 495271213 /nfs/dbraw/zinc/27/12/13/495271213.db2.gz JSUFASLIFPZHNK-UHFFFAOYSA-N -1 3 367.228 3.059 20 0 FGADHM O=C([O-])[C@H](c1cccc(Br)c1)N1CCC(OCC2CC2)CC1 ZINC000568758721 505771658 /nfs/dbraw/zinc/77/16/58/505771658.db2.gz QBHXLFVISNOBLC-INIZCTEOSA-N -1 3 368.271 3.466 20 0 FGADHM CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1cccc([O-])c1F ZINC000129731006 495287147 /nfs/dbraw/zinc/28/71/47/495287147.db2.gz CDPFIEQASGKZJI-GUYCJALGSA-N -1 3 370.424 3.469 20 0 FGADHM O=S(=O)([N-]Cc1cc(-c2ccccc2)on1)c1ccc(F)c(F)c1 ZINC000129781280 495295191 /nfs/dbraw/zinc/29/51/91/495295191.db2.gz IHBOOWXAUUIKSE-UHFFFAOYSA-N -1 3 350.346 3.098 20 0 FGADHM CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2C)c(Cl)c1 ZINC000129805769 495298782 /nfs/dbraw/zinc/29/87/82/495298782.db2.gz AGAOKDQFENTEIX-UHFFFAOYSA-N -1 3 373.261 3.462 20 0 FGADHM CS(=O)(=O)c1ccsc1[N-]C(=O)c1cc(Br)cs1 ZINC000135514306 495304888 /nfs/dbraw/zinc/30/48/88/495304888.db2.gz QVOFHCVPOAKSLB-UHFFFAOYSA-N -1 3 366.283 3.228 20 0 FGADHM O=C(c1ccc2c(c1)C(=O)[N-]C2=O)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000104833010 495308555 /nfs/dbraw/zinc/30/85/55/495308555.db2.gz OJKJCCMMVOBBDC-UHFFFAOYSA-N -1 3 373.412 3.071 20 0 FGADHM O=S(=O)([N-]CCc1cc2ccccc2[nH]1)c1cc(F)ccc1Cl ZINC000135541198 495309160 /nfs/dbraw/zinc/30/91/60/495309160.db2.gz 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Cc1ccsc1CCCC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000130268311 495365125 /nfs/dbraw/zinc/36/51/25/495365125.db2.gz RFRQNXVAAQHBKF-UHFFFAOYSA-N -1 3 372.490 3.069 20 0 FGADHM CCC[C@H](C)NC(=O)[C@H]1CCCN(C(=O)Cc2ccc([O-])cc2Cl)C1 ZINC000136233812 495366383 /nfs/dbraw/zinc/36/63/83/495366383.db2.gz MAQYJCURPNZBCS-ZFWWWQNUSA-N -1 3 366.889 3.132 20 0 FGADHM O=C(CNC(=O)c1cc(-c2ccccc2)on1)Nc1cc(Cl)ccc1[O-] ZINC000130296126 495369444 /nfs/dbraw/zinc/36/94/44/495369444.db2.gz WFZLPYCTRKOTPT-UHFFFAOYSA-N -1 3 371.780 3.069 20 0 FGADHM O=C(Cc1cccc(OCC(F)(F)F)c1)Nc1nnc(-c2ccco2)[n-]1 ZINC000125050794 495383068 /nfs/dbraw/zinc/38/30/68/495383068.db2.gz NGBZXVGHJZRNBZ-UHFFFAOYSA-N -1 3 366.299 3.187 20 0 FGADHM O=C(Cc1cccc(OCC(F)(F)F)c1)Nc1nc(-c2ccco2)n[n-]1 ZINC000125050794 495383071 /nfs/dbraw/zinc/38/30/71/495383071.db2.gz NGBZXVGHJZRNBZ-UHFFFAOYSA-N -1 3 366.299 3.187 20 0 FGADHM O=C(Cc1cccc(OCC(F)(F)F)c1)Nc1n[n-]c(-c2ccco2)n1 ZINC000125050794 495383074 /nfs/dbraw/zinc/38/30/74/495383074.db2.gz 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ZINC000120626476 495421629 /nfs/dbraw/zinc/42/16/29/495421629.db2.gz CKYDBFUCSGXZCF-UHFFFAOYSA-N -1 3 369.528 3.492 20 0 FGADHM Cc1ccc(C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)cc1Br ZINC000120635556 495424494 /nfs/dbraw/zinc/42/44/94/495424494.db2.gz ABAKHNRUQKYXJI-UHFFFAOYSA-N -1 3 372.226 3.114 20 0 FGADHM Cc1ccc(C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)cc1Br ZINC000120635556 495424501 /nfs/dbraw/zinc/42/45/01/495424501.db2.gz ABAKHNRUQKYXJI-UHFFFAOYSA-N -1 3 372.226 3.114 20 0 FGADHM Cc1nn2c(nnc2SCc2csc(C3CCCCC3)n2)[n-]c1=O ZINC000114860857 495436130 /nfs/dbraw/zinc/43/61/30/495436130.db2.gz BZVKHFAUZOTKKU-UHFFFAOYSA-N -1 3 362.484 3.330 20 0 FGADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)N[C@@H]1CCCc2sccc21 ZINC000137393921 495439002 /nfs/dbraw/zinc/43/90/02/495439002.db2.gz QKKWOLNFSOOOJV-CYBMUJFWSA-N -1 3 368.462 3.008 20 0 FGADHM CCc1ccc([C@H](C)CC(=O)NCCCNC(=O)c2cccc([O-])c2)cc1 ZINC000130761673 495441108 /nfs/dbraw/zinc/44/11/08/495441108.db2.gz PWDXFVWVPWYJPB-MRXNPFEDSA-N -1 3 368.477 3.385 20 0 FGADHM Cc1ccc(F)c(S(=O)(=O)[N-]CCSCc2ccccc2F)c1 ZINC000106300416 495443234 /nfs/dbraw/zinc/44/32/34/495443234.db2.gz OITFOAZSGWQRNP-UHFFFAOYSA-N -1 3 357.447 3.485 20 0 FGADHM COc1ccc(N(C)C(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)cc1Cl ZINC000137795118 495451462 /nfs/dbraw/zinc/45/14/62/495451462.db2.gz WLTCXIBAFWUGLE-UHFFFAOYSA-N -1 3 363.845 3.314 20 0 FGADHM CCOC(=O)c1sc2[n-]c([C@H](C)N3CC[C@H](CC)C3)nc(=O)c2c1C ZINC000125507293 495454920 /nfs/dbraw/zinc/45/49/20/495454920.db2.gz XRBJIHWVSBIWIX-RYUDHWBXSA-N -1 3 363.483 3.263 20 0 FGADHM CC(C)C[C@@H](C)Oc1cc(CNC(=O)c2cc(=O)[n-]c(C3CC3)n2)ccn1 ZINC000571653736 505783707 /nfs/dbraw/zinc/78/37/07/505783707.db2.gz JWOCNVHFSLQPGG-CYBMUJFWSA-N -1 3 370.453 3.198 20 0 FGADHM O=C(N[C@H]1CCCOc2ccc(F)cc21)c1c[n-]nc1-c1ccccn1 ZINC000574489143 505784249 /nfs/dbraw/zinc/78/42/49/505784249.db2.gz CTVMFEAVQXESOK-HNNXBMFYSA-N -1 3 352.369 3.255 20 0 FGADHM CCc1cc(=O)[n-]c(CSCC(=O)N[C@H](C)Cc2ccccc2C)n1 ZINC000125600834 495469610 /nfs/dbraw/zinc/46/96/10/495469610.db2.gz YWAAXMDOXIKTJI-CQSZACIVSA-N -1 3 359.495 3.034 20 0 FGADHM CCc1cnc(S(=O)(=O)Cc2csc(-c3ccccc3F)n2)[n-]1 ZINC000125613754 495471388 /nfs/dbraw/zinc/47/13/88/495471388.db2.gz DPXFTSSFLWKUMO-UHFFFAOYSA-N -1 3 351.428 3.209 20 0 FGADHM CCc1c[n-]c(S(=O)(=O)Cc2csc(-c3ccccc3F)n2)n1 ZINC000125613754 495471392 /nfs/dbraw/zinc/47/13/92/495471392.db2.gz DPXFTSSFLWKUMO-UHFFFAOYSA-N -1 3 351.428 3.209 20 0 FGADHM COc1cc(C(=O)[N-]c2cc(-c3ccc(Br)s3)[nH]n2)on1 ZINC000139193531 495474052 /nfs/dbraw/zinc/47/40/52/495474052.db2.gz YIENTFZANCISRC-UHFFFAOYSA-N -1 3 369.200 3.150 20 0 FGADHM O=S(=O)([N-]Cc1ccn(C2CCCC2)n1)c1cccc2c1N=S=N2 ZINC000125709488 495486688 /nfs/dbraw/zinc/48/66/88/495486688.db2.gz CNGFLSPUIIKZCZ-UHFFFAOYSA-N -1 3 363.468 3.203 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)c1ccc2c(c1)OCO2 ZINC000131058335 495486863 /nfs/dbraw/zinc/48/68/63/495486863.db2.gz CHBQJLCKVOUFKZ-VIFPVBQESA-N -1 3 357.790 3.247 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)CC1CCC1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000120980958 495496496 /nfs/dbraw/zinc/49/64/96/495496496.db2.gz NZQTUHPFMYEXHP-SNVBAGLBSA-N -1 3 355.847 3.171 20 0 FGADHM CCCCOc1ccc(NC(=O)C(=O)NCc2ccc([O-])c(F)c2)c(C)c1 ZINC000120985322 495497258 /nfs/dbraw/zinc/49/72/58/495497258.db2.gz HRUNWSGNDQUUHQ-UHFFFAOYSA-N -1 3 374.412 3.274 20 0 FGADHM COC(=O)c1coc(S(=O)(=O)[N-]c2c(Cl)cc(F)cc2Cl)c1 ZINC000131137576 495497705 /nfs/dbraw/zinc/49/77/05/495497705.db2.gz OAPWJBXRCDGKQM-UHFFFAOYSA-N -1 3 368.169 3.313 20 0 FGADHM Cc1nn(C)c(NC(=O)c2n[n-]c(-c3ccccc3)c2Br)c1C ZINC000106853064 495501358 /nfs/dbraw/zinc/50/13/58/495501358.db2.gz KUIHEHMGFAMRMY-UHFFFAOYSA-N -1 3 374.242 3.442 20 0 FGADHM Cc1nn(C)c(NC(=O)c2[n-]nc(-c3ccccc3)c2Br)c1C ZINC000106853064 495501363 /nfs/dbraw/zinc/50/13/63/495501363.db2.gz KUIHEHMGFAMRMY-UHFFFAOYSA-N -1 3 374.242 3.442 20 0 FGADHM CCC[C@@H](C)CC(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000125821672 495504271 /nfs/dbraw/zinc/50/42/71/495504271.db2.gz HWANSMROJIMBBL-LLVKDONJSA-N -1 3 366.405 3.292 20 0 FGADHM Cc1ccc(C)c(N2CCN(C(=O)NCc3ccc([O-])c(F)c3)CC2)c1 ZINC000141729461 495510149 /nfs/dbraw/zinc/51/01/49/495510149.db2.gz SUVPXQICOSQPAM-UHFFFAOYSA-N -1 3 357.429 3.180 20 0 FGADHM c1cc(OC[C@@H]2CCCO2)cc(-c2nc(-c3ccc4n[n-]nc4c3)no2)c1 ZINC000577757932 505787091 /nfs/dbraw/zinc/78/70/91/505787091.db2.gz KXMACEZFRLJTOR-HNNXBMFYSA-N -1 3 363.377 3.233 20 0 FGADHM CC(=O)NCc1ccc(S(=O)(=O)[N-][C@@H](C)c2cc(C)cc(C)c2)s1 ZINC000107309253 495524969 /nfs/dbraw/zinc/52/49/69/495524969.db2.gz UTMKYVIHCBIARD-ZDUSSCGKSA-N -1 3 366.508 3.041 20 0 FGADHM CC[C@@H](C)C[C@@H]([N-]S(=O)(=O)Cc1ccc(C(F)F)cc1)C(=O)OC ZINC000571675405 505788196 /nfs/dbraw/zinc/78/81/96/505788196.db2.gz VGBBRSADCPKQOP-BXUZGUMPSA-N -1 3 363.426 3.021 20 0 FGADHM CCCC[C@H](CCC)CNC(=O)c1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000158600792 495548301 /nfs/dbraw/zinc/54/83/01/495548301.db2.gz SEYRSKZFSHLZBC-VBKZILBWSA-N -1 3 359.470 3.078 20 0 FGADHM CS[C@@H]1CN(C(=O)c2cccc(C(F)(F)F)c2[O-])C[C@H]1N1CCCC1 ZINC000577766858 505788901 /nfs/dbraw/zinc/78/89/01/505788901.db2.gz LIWRLRWYMKUVGM-ZIAGYGMSSA-N -1 3 374.428 3.063 20 0 FGADHM COc1ccc(C(=O)N(C)C)cc1NC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000185380610 495555184 /nfs/dbraw/zinc/55/51/84/495555184.db2.gz SHSAWEIEWLBNQP-UHFFFAOYSA-N -1 3 368.433 3.234 20 0 FGADHM O=c1cc(CN2CCC[C@H]2C[C@@H](O)c2ccco2)c2ccc([O-])cc2o1 ZINC000182457698 495571314 /nfs/dbraw/zinc/57/13/14/495571314.db2.gz SRKWZWSBUYXLJT-WMLDXEAASA-N -1 3 355.390 3.180 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NC[C@@H]2CCCC[C@@H]2C)c1 ZINC000185441548 495578108 /nfs/dbraw/zinc/57/81/08/495578108.db2.gz YPZDIQVBKZBRLL-JSGCOSHPSA-N -1 3 371.437 3.497 20 0 FGADHM O=C(CCN1CCC(C(=O)Nc2ccccc2[O-])CC1)c1ccc(F)cc1 ZINC000182501281 495588861 /nfs/dbraw/zinc/58/88/61/495588861.db2.gz BZDPVBQHNWRQNI-UHFFFAOYSA-N -1 3 370.424 3.455 20 0 FGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)NCCC2CCCC2)cc1OC ZINC000149117216 495590622 /nfs/dbraw/zinc/59/06/22/495590622.db2.gz DVWXTHPUIOTEDN-UHFFFAOYSA-N -1 3 369.487 3.159 20 0 FGADHM Cc1sc2ncc(C(=O)Nc3cc(-c4cccs4)n[n-]3)c(=O)n2c1C ZINC000182518442 495595793 /nfs/dbraw/zinc/59/57/93/495595793.db2.gz SWIHBCMVLUEZTQ-UHFFFAOYSA-N -1 3 371.447 3.077 20 0 FGADHM O=C(Nc1ccnn1[C@@H]1CCCc2ccccc21)c1ccc2n[n-]nc2c1 ZINC000170769265 495596354 /nfs/dbraw/zinc/59/63/54/495596354.db2.gz POLYCSIFTGBDDR-GOSISDBHSA-N -1 3 358.405 3.332 20 0 FGADHM Cc1nc([N-]C(=O)c2csc(-c3ccc(Br)s3)n2)n[nH]1 ZINC000158837655 495598330 /nfs/dbraw/zinc/59/83/30/495598330.db2.gz KFHVWHAJWBOQHY-UHFFFAOYSA-N -1 3 370.257 3.313 20 0 FGADHM O=C(Cc1ccc([O-])cc1Cl)NC1CCN(c2cccs2)CC1 ZINC000158845229 495599966 /nfs/dbraw/zinc/59/99/66/495599966.db2.gz FWKFAPJEPUAOQO-UHFFFAOYSA-N -1 3 350.871 3.435 20 0 FGADHM O=C(N[C@H]1CCO[C@@H]1c1ccc(Cl)cc1)c1c[n-]c2ccccc2c1=O ZINC000182553992 495611971 /nfs/dbraw/zinc/61/19/71/495611971.db2.gz CZNLYHQHYYTYOQ-PKOBYXMFSA-N -1 3 368.820 3.442 20 0 FGADHM Cc1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1CC[C@H](C(F)(F)F)[N-]C1=O ZINC000173618703 495616735 /nfs/dbraw/zinc/61/67/35/495616735.db2.gz WMXGBNOOFXRXTC-GXSJLCMTSA-N -1 3 368.277 3.409 20 0 FGADHM CC(C)([N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)c1nccs1 ZINC000158926202 495616728 /nfs/dbraw/zinc/61/67/28/495616728.db2.gz HLBFCCVUCRJXMC-UHFFFAOYSA-N -1 3 352.268 3.059 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N2CCC[C@H]2c2cccc(F)c2)c([O-])c1 ZINC000170827684 495618256 /nfs/dbraw/zinc/61/82/56/495618256.db2.gz GKGQQINYCQLUNC-SFHVURJKSA-N -1 3 370.424 3.323 20 0 FGADHM CCOc1ccc(NC(=O)CCNC(=O)c2ccc(C)cc2[O-])c(C)c1 ZINC000170827644 495618341 /nfs/dbraw/zinc/61/83/41/495618341.db2.gz OMMNXKQTAMHLOM-UHFFFAOYSA-N -1 3 356.422 3.166 20 0 FGADHM COc1cc(C(=O)NCc2cccc(C(F)(F)F)c2)cc(OC)c1[O-] ZINC000159035297 495641442 /nfs/dbraw/zinc/64/14/42/495641442.db2.gz JIPSDVZWJRARSM-UHFFFAOYSA-N -1 3 355.312 3.358 20 0 FGADHM Cc1c(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])cccc1N(C)C ZINC000182638044 495645899 /nfs/dbraw/zinc/64/58/99/495645899.db2.gz ZMNMKJGNKIGZBR-SFHVURJKSA-N -1 3 367.449 3.010 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC[C@@H]3c3cccc(C)n3)nc2)n1 ZINC000150937473 495687147 /nfs/dbraw/zinc/68/71/47/495687147.db2.gz CDNGEIBHEQZTKA-GOSISDBHSA-N -1 3 361.449 3.439 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCCCC(C)(C)C)c1 ZINC000182811987 495712830 /nfs/dbraw/zinc/71/28/30/495712830.db2.gz BDFZRKSLZSRZLZ-UHFFFAOYSA-N -1 3 359.426 3.497 20 0 FGADHM Cc1c([O-])ccc2c(CN[C@@H](CCCO)c3ccccc3)cc(=O)oc12 ZINC000179741782 495713138 /nfs/dbraw/zinc/71/31/38/495713138.db2.gz QESKSTJRHNNVPF-SFHVURJKSA-N -1 3 353.418 3.410 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)C[C@H]1CCCCO1)c1nc(C(F)(F)F)cs1 ZINC000173838032 495713575 /nfs/dbraw/zinc/71/35/75/495713575.db2.gz SPODCPBKDIUOPB-ZJUUUORDSA-N -1 3 372.434 3.102 20 0 FGADHM COc1ccc(CN2CCC(C(=O)Nc3ccccc3[O-])CC2)c(OC)c1 ZINC000179766572 495726549 /nfs/dbraw/zinc/72/65/49/495726549.db2.gz AWSUEALICXXRPJ-UHFFFAOYSA-N -1 3 370.449 3.260 20 0 FGADHM CSC[C@@H]1CCCN1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000154792133 495729658 /nfs/dbraw/zinc/72/96/58/495729658.db2.gz DUFRXEVMKPUXII-NSHDSACASA-N -1 3 359.289 3.192 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)c3cc4nc(C)ccc4o3)[n-]c21 ZINC000179775621 495730097 /nfs/dbraw/zinc/73/00/97/495730097.db2.gz HYTFTQQEIMMMRJ-UHFFFAOYSA-N -1 3 350.334 3.051 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cc4nc(C)ccc4o3)nc21 ZINC000179775621 495730104 /nfs/dbraw/zinc/73/01/04/495730104.db2.gz HYTFTQQEIMMMRJ-UHFFFAOYSA-N -1 3 350.334 3.051 20 0 FGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@H]3CS[C@@H](C)C3)s2)cs1 ZINC000577830708 505800004 /nfs/dbraw/zinc/80/00/04/505800004.db2.gz ZILRJGKCQYLEEG-WCBMZHEXSA-N -1 3 360.551 3.352 20 0 FGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@H]3CS[C@H](C)C3)s2)cs1 ZINC000577830706 505800081 /nfs/dbraw/zinc/80/00/81/505800081.db2.gz ZILRJGKCQYLEEG-PSASIEDQSA-N -1 3 360.551 3.352 20 0 FGADHM O=C(Nc1ccn(Cc2ccncc2)n1)c1c[n-]nc1-c1ccc(F)cc1 ZINC000171118635 495732269 /nfs/dbraw/zinc/73/22/69/495732269.db2.gz 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/nfs/dbraw/zinc/82/55/24/495825524.db2.gz LPEPNBDYBNQINZ-VIFPVBQESA-N -1 3 363.407 3.398 20 0 FGADHM COC(=O)[C@H](NC(=O)Cc1ccc([O-])cc1Cl)c1ccc(F)c(C)c1 ZINC000186030114 495828697 /nfs/dbraw/zinc/82/86/97/495828697.db2.gz ZRLXZLHOSBETNR-QGZVFWFLSA-N -1 3 365.788 3.066 20 0 FGADHM Cc1cc(C)c2[n-]cc(C(=O)N3CCSC4(CCOCC4)C3)c(=O)c2c1 ZINC000186055937 495838489 /nfs/dbraw/zinc/83/84/89/495838489.db2.gz UTPPGNUOESKTRA-UHFFFAOYSA-N -1 3 372.490 3.295 20 0 FGADHM Cc1ccc(Br)c(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000151488296 495855241 /nfs/dbraw/zinc/85/52/41/495855241.db2.gz NVEAOYLCQJRVGD-UHFFFAOYSA-N -1 3 358.199 3.190 20 0 FGADHM Cc1ccc(Br)c(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000151488296 495855243 /nfs/dbraw/zinc/85/52/43/495855243.db2.gz NVEAOYLCQJRVGD-UHFFFAOYSA-N -1 3 358.199 3.190 20 0 FGADHM CCc1ccccc1OCC(=O)NCc1ccc([O-])c(Br)c1 ZINC000151513265 495862680 /nfs/dbraw/zinc/86/26/80/495862680.db2.gz BHTMHQWROFHUNN-UHFFFAOYSA-N -1 3 364.239 3.412 20 0 FGADHM CC(C)(C)CNC(=O)c1ccc(C(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000174207075 495864578 /nfs/dbraw/zinc/86/45/78/495864578.db2.gz UTAJPLBXIAPWCN-UHFFFAOYSA-N -1 3 358.413 3.237 20 0 FGADHM CCn1c(C)nnc1SCc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000171417913 495865188 /nfs/dbraw/zinc/86/51/88/495865188.db2.gz DEIMXNISPXXACH-UHFFFAOYSA-N -1 3 373.463 3.457 20 0 FGADHM O=C(NCc1ccc([O-])c(Br)c1)c1cnn(-c2ccccc2)c1 ZINC000151554084 495876808 /nfs/dbraw/zinc/87/68/08/495876808.db2.gz HFHLRBKVFHCCKX-UHFFFAOYSA-N -1 3 372.222 3.270 20 0 FGADHM Cc1cc(F)ccc1-n1ccc(C(=O)[N-]c2nnc(C(F)F)s2)n1 ZINC000183202178 495878454 /nfs/dbraw/zinc/87/84/54/495878454.db2.gz VXNUZUWLHHMYKY-UHFFFAOYSA-N -1 3 353.329 3.361 20 0 FGADHM CCOc1ccc(C(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000151564253 495879433 /nfs/dbraw/zinc/87/94/33/495879433.db2.gz XWUARAPMUWYPMV-UHFFFAOYSA-N -1 3 350.212 3.483 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1ccc2c(c1)CCO2)c1ncc(-c2ccccc2)o1 ZINC000151566574 495880722 /nfs/dbraw/zinc/88/07/22/495880722.db2.gz 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ZINC000277366142 496750109 /nfs/dbraw/zinc/75/01/09/496750109.db2.gz QCHAEIOOXTXSMN-ORAYPTAESA-N -1 3 359.422 3.264 20 0 FGADHM CCCCc1ccc(C(=O)CCC(=O)N2CCc3c(nc[n-]c3=O)C2)cc1 ZINC000273271073 496759428 /nfs/dbraw/zinc/75/94/28/496759428.db2.gz RDZTUJVQRQWEIA-UHFFFAOYSA-N -1 3 367.449 3.073 20 0 FGADHM CC(C)(C)c1nc(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)cs1 ZINC000263964152 496775408 /nfs/dbraw/zinc/77/54/08/496775408.db2.gz FQWCEKGTUGOTRV-UHFFFAOYSA-N -1 3 353.469 3.064 20 0 FGADHM COc1ccc([C@@H]2CCCN2C(=O)c2cc(F)cc3[n-]nnc32)cc1OC ZINC000277483223 496787151 /nfs/dbraw/zinc/78/71/51/496787151.db2.gz QOOFWIGEBJYMHK-HNNXBMFYSA-N -1 3 370.384 3.092 20 0 FGADHM COc1ccc([C@@H]2CCCN2C(=O)c2cc(F)cc3nn[n-]c32)cc1OC ZINC000277483223 496787155 /nfs/dbraw/zinc/78/71/55/496787155.db2.gz QOOFWIGEBJYMHK-HNNXBMFYSA-N -1 3 370.384 3.092 20 0 FGADHM COc1ccc([C@@H]2CCCN2C(=O)c2cc(F)cc3n[n-]nc32)cc1OC ZINC000277483223 496787161 /nfs/dbraw/zinc/78/71/61/496787161.db2.gz QOOFWIGEBJYMHK-HNNXBMFYSA-N -1 3 370.384 3.092 20 0 FGADHM Cc1ccc(F)cc1CN[C@@H](CSCCOc1ccccc1)C(=O)[O-] ZINC000277507226 496796972 /nfs/dbraw/zinc/79/69/72/496796972.db2.gz XWYFQHKKGPXHKK-SFHVURJKSA-N -1 3 363.454 3.489 20 0 FGADHM COC(=O)C(C)(C)CS(=O)(=O)[N-]c1ccccc1Nc1ccccc1 ZINC000580913746 505867015 /nfs/dbraw/zinc/86/70/15/505867015.db2.gz IOHWMZWVBUUHSE-UHFFFAOYSA-N -1 3 362.451 3.371 20 0 FGADHM CCOCCOCc1cccc(NC([O-])=NOCc2cccnc2)c1C ZINC000273450741 496809311 /nfs/dbraw/zinc/80/93/11/496809311.db2.gz FZZBIZTXSQWYLG-UHFFFAOYSA-N -1 3 359.426 3.196 20 0 FGADHM CCOCCOCc1cccc(NC(=O)[N-]OCc2cccnc2)c1C ZINC000273450741 496809316 /nfs/dbraw/zinc/80/93/16/496809316.db2.gz FZZBIZTXSQWYLG-UHFFFAOYSA-N -1 3 359.426 3.196 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273489572 496820772 /nfs/dbraw/zinc/82/07/72/496820772.db2.gz KDPIETQFWKSOJO-QAPCUYQASA-N -1 3 362.376 3.390 20 0 FGADHM C[C@@H]1CN(c2ccc(NC([O-])=NOCc3ccc(F)cc3)cn2)C[C@H](C)O1 ZINC000273488158 496821017 /nfs/dbraw/zinc/82/10/17/496821017.db2.gz NDHVXFGHNVLDID-OKILXGFUSA-N -1 3 374.416 3.088 20 0 FGADHM C[C@@H]1CN(c2ccc(NC(=O)[N-]OCc3ccc(F)cc3)cn2)C[C@H](C)O1 ZINC000273488158 496821023 /nfs/dbraw/zinc/82/10/23/496821023.db2.gz NDHVXFGHNVLDID-OKILXGFUSA-N -1 3 374.416 3.088 20 0 FGADHM Cc1nc(C2CC2)oc1C(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000273496022 496822976 /nfs/dbraw/zinc/82/29/76/496822976.db2.gz BHWICVXIVJSNQO-UHFFFAOYSA-N -1 3 369.421 3.057 20 0 FGADHM CCn1nc(C)c(C(=O)[N-]c2nnc(CC(F)(F)F)s2)c1Cl ZINC000268937906 496828147 /nfs/dbraw/zinc/82/81/47/496828147.db2.gz GGBVQDUJLHLBRG-UHFFFAOYSA-N -1 3 353.757 3.073 20 0 FGADHM O=S(=O)([N-][C@H]1CCOC2(CCC2)C1)c1cc(Cl)ccc1Cl ZINC000268960549 496835811 /nfs/dbraw/zinc/83/58/11/496835811.db2.gz IFOPQYMNHZJXRG-NSHDSACASA-N -1 3 350.267 3.373 20 0 FGADHM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)c(OC)cc2C)cc1 ZINC000277636545 496836902 /nfs/dbraw/zinc/83/69/02/496836902.db2.gz PLXFVSCSLVLNAS-UHFFFAOYSA-N -1 3 362.451 3.461 20 0 FGADHM Cc1cc(Br)ccc1CS(=O)(=O)c1nnc(C(C)(C)C)[n-]1 ZINC000195164563 496839866 /nfs/dbraw/zinc/83/98/66/496839866.db2.gz MHTBVYSCHMYFRE-UHFFFAOYSA-N -1 3 372.288 3.147 20 0 FGADHM Cc1cc(Br)ccc1CS(=O)(=O)c1nc(C(C)(C)C)n[n-]1 ZINC000195164563 496839868 /nfs/dbraw/zinc/83/98/68/496839868.db2.gz MHTBVYSCHMYFRE-UHFFFAOYSA-N -1 3 372.288 3.147 20 0 FGADHM CCOC(C)(C)C[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000188644605 496863937 /nfs/dbraw/zinc/86/39/37/496863937.db2.gz QMMGRUFYCOMKGR-UHFFFAOYSA-N -1 3 370.696 3.196 20 0 FGADHM C[N-]S(=O)(=O)c1cc(-c2nc([C@H]3CCCc4ccccc43)no2)c(C)o1 ZINC000273704903 496878916 /nfs/dbraw/zinc/87/89/16/496878916.db2.gz JYDOGMADDACWEK-AWEZNQCLSA-N -1 3 373.434 3.014 20 0 FGADHM CC[C@H](C)[C@@H]([N-]S(=O)(=O)c1ccc(C)c(NC(C)=O)c1)C(F)(F)F ZINC000277775771 496883208 /nfs/dbraw/zinc/88/32/08/496883208.db2.gz UPLODZVBSBXBIR-LKFCYVNXSA-N -1 3 366.405 3.209 20 0 FGADHM Cc1ccc(NCCCNC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)nc1 ZINC000269182696 496888499 /nfs/dbraw/zinc/88/84/99/496888499.db2.gz BXTGBFNQVUUHBX-UHFFFAOYSA-N -1 3 368.412 3.323 20 0 FGADHM O=C(c1ccc(C(=O)N(C[C@@H]2CCOC2)C2CC2)cc1)c1cccc([O-])c1 ZINC000188795791 496911248 /nfs/dbraw/zinc/91/12/48/496911248.db2.gz RKQXCEOGPPNLER-HNNXBMFYSA-N -1 3 365.429 3.264 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)NC1CCC1 ZINC000264573179 496932473 /nfs/dbraw/zinc/93/24/73/496932473.db2.gz XMJDGFITMMCRNA-UHFFFAOYSA-N -1 3 362.426 3.217 20 0 FGADHM Cc1cc(Br)c2c(c1)CN(C(=O)c1cccc3[n-]nnc31)CC2 ZINC000188874034 496933692 /nfs/dbraw/zinc/93/36/92/496933692.db2.gz KKMDJQPHYGKOMR-UHFFFAOYSA-N -1 3 371.238 3.227 20 0 FGADHM Cc1cc(Br)c2c(c1)CN(C(=O)c1cccc3nn[n-]c31)CC2 ZINC000188874034 496933700 /nfs/dbraw/zinc/93/37/00/496933700.db2.gz KKMDJQPHYGKOMR-UHFFFAOYSA-N -1 3 371.238 3.227 20 0 FGADHM Cc1cc(Br)c2c(c1)CN(C(=O)c1cccc3n[n-]nc31)CC2 ZINC000188874034 496933705 /nfs/dbraw/zinc/93/37/05/496933705.db2.gz KKMDJQPHYGKOMR-UHFFFAOYSA-N -1 3 371.238 3.227 20 0 FGADHM CCO[C@@H](C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1)c1ccccc1 ZINC000195488591 496938501 /nfs/dbraw/zinc/93/85/01/496938501.db2.gz XSPKEBBRYDTQGX-LJQANCHMSA-N -1 3 363.417 3.462 20 0 FGADHM CCCCc1nc(C(=O)OCC)c(NC(=O)CCc2cncc(F)c2)[n-]1 ZINC000191963815 496946930 /nfs/dbraw/zinc/94/69/30/496946930.db2.gz JYIBTYQDSQNWST-UHFFFAOYSA-N -1 3 362.405 3.034 20 0 FGADHM CCCCc1nc(NC(=O)CCc2cncc(F)c2)c(C(=O)OCC)[n-]1 ZINC000191963815 496946934 /nfs/dbraw/zinc/94/69/34/496946934.db2.gz JYIBTYQDSQNWST-UHFFFAOYSA-N -1 3 362.405 3.034 20 0 FGADHM CCCCc1nc(C(=O)OCC)c(NC(=O)CC[C@H]2CCCCO2)[n-]1 ZINC000191965151 496947065 /nfs/dbraw/zinc/94/70/65/496947065.db2.gz PGNCFNBGHOTMEN-CYBMUJFWSA-N -1 3 351.447 3.217 20 0 FGADHM CCCCc1nc(NC(=O)CC[C@H]2CCCCO2)c(C(=O)OCC)[n-]1 ZINC000191965151 496947071 /nfs/dbraw/zinc/94/70/71/496947071.db2.gz PGNCFNBGHOTMEN-CYBMUJFWSA-N -1 3 351.447 3.217 20 0 FGADHM Cc1ccc(CS(=O)(=O)[N-]Cc2cc(-c3ccccc3)on2)c(F)c1 ZINC000192019663 496965019 /nfs/dbraw/zinc/96/50/19/496965019.db2.gz QLIDPUSDOUQFIM-UHFFFAOYSA-N -1 3 360.410 3.409 20 0 FGADHM CCN(Cc1cnn(C)c1)C(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000188976035 496965552 /nfs/dbraw/zinc/96/55/52/496965552.db2.gz ZGDGQHRQNADSSC-UHFFFAOYSA-N -1 3 363.417 3.019 20 0 FGADHM CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cc([O-])ccc2C(F)(F)F)C1 ZINC000188980744 496967520 /nfs/dbraw/zinc/96/75/20/496967520.db2.gz HKJDQHSLXHPAGR-SNVBAGLBSA-N -1 3 374.359 3.150 20 0 FGADHM Cc1noc(C)c1[N-]C(=O)c1nnn(-c2ccc(OC(F)F)cc2)c1C ZINC000264711724 496969120 /nfs/dbraw/zinc/96/91/20/496969120.db2.gz HOWWHNJERBFGQQ-UHFFFAOYSA-N -1 3 363.324 3.034 20 0 FGADHM O=C(Nc1nc(-c2ccco2)n[n-]1)c1cc(Br)c(F)cc1F ZINC000192044362 496973340 /nfs/dbraw/zinc/97/33/40/496973340.db2.gz VNSRTYJINBGLPY-UHFFFAOYSA-N -1 3 369.125 3.358 20 0 FGADHM Cc1cc(Cl)cc2cc(-c3noc([C@@H](C)[N-]S(C)(=O)=O)n3)oc21 ZINC000278071483 496994359 /nfs/dbraw/zinc/99/43/59/496994359.db2.gz WRHMSTFZRFWORM-MRVPVSSYSA-N -1 3 355.803 3.055 20 0 FGADHM CCc1ccc(C(=O)N(CC)CC(=O)Nc2c(F)cccc2F)c([O-])c1 ZINC000189073925 496999040 /nfs/dbraw/zinc/99/90/40/496999040.db2.gz HQRSOGYMKDAMLN-UHFFFAOYSA-N -1 3 362.376 3.334 20 0 FGADHM Cc1cc(NC([O-])=NO[C@@H]2CCCCO2)ccc1OC1CCOCC1 ZINC000274129350 497023372 /nfs/dbraw/zinc/02/33/72/497023372.db2.gz BLCUPWFTEXQGQC-QGZVFWFLSA-N -1 3 350.415 3.133 20 0 FGADHM Cc1cc(NC(=O)[N-]O[C@@H]2CCCCO2)ccc1OC1CCOCC1 ZINC000274129350 497023373 /nfs/dbraw/zinc/02/33/73/497023373.db2.gz BLCUPWFTEXQGQC-QGZVFWFLSA-N -1 3 350.415 3.133 20 0 FGADHM CCC(C)(CC)NC(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000264990893 497027153 /nfs/dbraw/zinc/02/71/53/497027153.db2.gz XDMIVQJCVWUEIT-UHFFFAOYSA-N -1 3 357.476 3.157 20 0 FGADHM CC(C)CNC(=O)c1ccc(NC([O-])=NO[C@H]2CCCCO2)cc1Cl ZINC000274194472 497037465 /nfs/dbraw/zinc/03/74/65/497037465.db2.gz MHOHQRXGCDSQND-HNNXBMFYSA-N -1 3 369.849 3.306 20 0 FGADHM CC(C)CNC(=O)c1ccc(NC(=O)[N-]O[C@H]2CCCCO2)cc1Cl ZINC000274194472 497037473 /nfs/dbraw/zinc/03/74/73/497037473.db2.gz MHOHQRXGCDSQND-HNNXBMFYSA-N -1 3 369.849 3.306 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CC[C@@H](C)C[C@H]2C)c1 ZINC000248558692 497039564 /nfs/dbraw/zinc/03/95/64/497039564.db2.gz BYLDBEYRNYTCDS-PSTGCABASA-N -1 3 371.437 3.495 20 0 FGADHM COc1ccc(OC)c([C@H]2C[C@@H]2c2nc(-c3ccc4n[n-]nc4c3)no2)c1 ZINC000572068996 505881521 /nfs/dbraw/zinc/88/15/21/505881521.db2.gz AQXFDAANHWQLBD-OCCSQVGLSA-N -1 3 363.377 3.296 20 0 FGADHM CC(C)(NC(=O)c1ccccc1)c1noc(-c2cc(-c3ccco3)n[n-]2)n1 ZINC000580980716 505881920 /nfs/dbraw/zinc/88/19/20/505881920.db2.gz XHPUDYLPFTVDTH-UHFFFAOYSA-N -1 3 363.377 3.385 20 0 FGADHM CC(C)(NC(=O)c1ccccc1)c1noc(-c2cc(-c3ccco3)[n-]n2)n1 ZINC000580980716 505881925 /nfs/dbraw/zinc/88/19/25/505881925.db2.gz XHPUDYLPFTVDTH-UHFFFAOYSA-N -1 3 363.377 3.385 20 0 FGADHM CCOCCNCc1cc(Br)c([O-])c(Br)c1 ZINC000225621902 497069807 /nfs/dbraw/zinc/06/98/07/497069807.db2.gz CWGGWWFXJSNLIS-UHFFFAOYSA-N -1 3 353.054 3.043 20 0 FGADHM Cc1nc([C@](C)([N-]S(=O)(=O)c2ccc3ccccc3c2)C2CC2)no1 ZINC000572076096 505882892 /nfs/dbraw/zinc/88/28/92/505882892.db2.gz FNMJDBJPYRHVHX-GOSISDBHSA-N -1 3 357.435 3.135 20 0 FGADHM C[C@H]1CCN(C(=O)Cc2cc(F)cc3c2OCOC3)c2c([O-])cccc21 ZINC000274335720 497073909 /nfs/dbraw/zinc/07/39/09/497073909.db2.gz BWOHNSWWDWMZDG-LBPRGKRZSA-N -1 3 357.381 3.481 20 0 FGADHM O=C(Nc1ccccc1CN1CCC(O)CC1)c1cc([O-])ccc1Cl ZINC000278334998 497079130 /nfs/dbraw/zinc/07/91/30/497079130.db2.gz JRISPUALWXQUNN-UHFFFAOYSA-N -1 3 360.841 3.255 20 0 FGADHM CCC(C)(CC)[N-]S(=O)(=O)c1cc(Br)ccc1OC ZINC000226643562 497083694 /nfs/dbraw/zinc/08/36/94/497083694.db2.gz RGBDQMORVMCUFT-UHFFFAOYSA-N -1 3 350.278 3.315 20 0 FGADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)n1 ZINC000248706209 497083781 /nfs/dbraw/zinc/08/37/81/497083781.db2.gz ARMFINRBDCGPBK-VXGBXAGGSA-N -1 3 355.364 3.104 20 0 FGADHM C[C@H]1CCN(C(=O)C[C@@H]2Oc3ccccc3NC2=O)c2c([O-])cccc21 ZINC000274386930 497085531 /nfs/dbraw/zinc/08/55/31/497085531.db2.gz OJVZEIGAJQBXPR-SJCJKPOMSA-N -1 3 352.390 3.022 20 0 FGADHM CCS(=O)(=O)c1ccc(CC(=O)N2CC[C@@H](C)c3cccc([O-])c32)cc1 ZINC000274392894 497087410 /nfs/dbraw/zinc/08/74/10/497087410.db2.gz PUVQJLOWQPELJB-CQSZACIVSA-N -1 3 373.474 3.269 20 0 FGADHM O=C(c1n[n-]nc1-c1ccccc1)N1CCc2ccc(Br)cc21 ZINC000189378112 497101681 /nfs/dbraw/zinc/10/16/81/497101681.db2.gz PRARNCRIXNGXIF-UHFFFAOYSA-N -1 3 369.222 3.437 20 0 FGADHM CC(C)n1cnnc1[C@@H]1CCCN(C(=O)c2cc3c(cc2[O-])CCCC3)C1 ZINC000265372937 497109704 /nfs/dbraw/zinc/10/97/04/497109704.db2.gz DBBLYSVDXVKWPH-QGZVFWFLSA-N -1 3 368.481 3.463 20 0 FGADHM O=C([N-]OC[C@H]1CCOC1)Nc1cccc(OCc2ccc(F)cc2)c1 ZINC000189480421 497131957 /nfs/dbraw/zinc/13/19/57/497131957.db2.gz WRJDOOLFSQYDPE-HNNXBMFYSA-N -1 3 360.385 3.494 20 0 FGADHM CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(F)ccc1[O-] ZINC000270477912 497137067 /nfs/dbraw/zinc/13/70/67/497137067.db2.gz STFARLRJXNPCMF-NSHDSACASA-N -1 3 358.435 3.116 20 0 FGADHM COc1ccc(CN(C)C(=O)c2cc([O-])ccc2C(F)(F)F)cc1O ZINC000189508167 497143398 /nfs/dbraw/zinc/14/33/98/497143398.db2.gz BLQNGDGEZCELLJ-UHFFFAOYSA-N -1 3 355.312 3.397 20 0 FGADHM Cc1csc(C(=O)Nc2ncccc2[O-])c1I ZINC000189521056 497148147 /nfs/dbraw/zinc/14/81/47/497148147.db2.gz MPIXVYIBRZSRBD-UHFFFAOYSA-N -1 3 360.176 3.014 20 0 FGADHM CC(C)c1noc(N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)n1 ZINC000265663707 497156523 /nfs/dbraw/zinc/15/65/23/497156523.db2.gz XUVDNHZQGXCYDT-UHFFFAOYSA-N -1 3 364.833 3.407 20 0 FGADHM CCN(CC)[C@@H](CNC(=O)c1c[n-]c2nc(C)ccc2c1=O)c1ccco1 ZINC000578214838 505888083 /nfs/dbraw/zinc/88/80/83/505888083.db2.gz DTGDYTFVPGRPEJ-INIZCTEOSA-N -1 3 368.437 3.050 20 0 FGADHM CCN(CC)[C@@H](CNC(=O)c1cnc2nc(C)ccc2c1[O-])c1ccco1 ZINC000578214838 505888087 /nfs/dbraw/zinc/88/80/87/505888087.db2.gz DTGDYTFVPGRPEJ-INIZCTEOSA-N -1 3 368.437 3.050 20 0 FGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2CCCC[C@H](C)C2)cc1OC ZINC000274759661 497158512 /nfs/dbraw/zinc/15/85/12/497158512.db2.gz OOPYXYGCNWJSHE-ZDUSSCGKSA-N -1 3 369.487 3.111 20 0 FGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2CCCC[C@@H](C)C2)cc1OC ZINC000274759659 497158693 /nfs/dbraw/zinc/15/86/93/497158693.db2.gz OOPYXYGCNWJSHE-CYBMUJFWSA-N -1 3 369.487 3.111 20 0 FGADHM [O-]C(=NO[C@H]1CCCCO1)Nc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000274764331 497159555 /nfs/dbraw/zinc/15/95/55/497159555.db2.gz KXGGCVJEGMPVSX-BBRMVZONSA-N -1 3 370.833 3.478 20 0 FGADHM O=C([N-]O[C@H]1CCCCO1)Nc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000274764331 497159560 /nfs/dbraw/zinc/15/95/60/497159560.db2.gz KXGGCVJEGMPVSX-BBRMVZONSA-N -1 3 370.833 3.478 20 0 FGADHM [O-]C(=NO[C@H]1CCCCO1)Nc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000274764335 497159835 /nfs/dbraw/zinc/15/98/35/497159835.db2.gz KXGGCVJEGMPVSX-CJNGLKHVSA-N -1 3 370.833 3.478 20 0 FGADHM O=C([N-]O[C@H]1CCCCO1)Nc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000274764335 497159836 /nfs/dbraw/zinc/15/98/36/497159836.db2.gz KXGGCVJEGMPVSX-CJNGLKHVSA-N -1 3 370.833 3.478 20 0 FGADHM COc1cc(C(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)cc(OC)c1[O-] ZINC000270655575 497171914 /nfs/dbraw/zinc/17/19/14/497171914.db2.gz CDFVPDDDVFZXFQ-INIZCTEOSA-N -1 3 373.405 3.220 20 0 FGADHM CCOCCOc1ccc(Cl)cc1NC([O-])=NO[C@H]1CCCCO1 ZINC000274825216 497176309 /nfs/dbraw/zinc/17/63/09/497176309.db2.gz ZLESHQHILNQIKN-HNNXBMFYSA-N -1 3 358.822 3.335 20 0 FGADHM CCOCCOc1ccc(Cl)cc1NC(=O)[N-]O[C@H]1CCCCO1 ZINC000274825216 497176317 /nfs/dbraw/zinc/17/63/17/497176317.db2.gz ZLESHQHILNQIKN-HNNXBMFYSA-N -1 3 358.822 3.335 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-][C@@H](CN(C)C)c2ccc(Cl)cc2)c(F)c1 ZINC000569261554 505891480 /nfs/dbraw/zinc/89/14/80/505891480.db2.gz LHYWUUMMHJUTHT-INIZCTEOSA-N -1 3 370.877 3.369 20 0 FGADHM Cc1noc(C)c1S(=O)(=O)[N-]c1c(F)cc(F)cc1Br ZINC000192707330 497189830 /nfs/dbraw/zinc/18/98/30/497189830.db2.gz VBKFJLXGWKSFSQ-UHFFFAOYSA-N -1 3 367.171 3.133 20 0 FGADHM Cc1cccc2c1N(C(=O)CCc1c(C)nc(-c3ccncc3)[n-]c1=O)CC2 ZINC000270767737 497199003 /nfs/dbraw/zinc/19/90/03/497199003.db2.gz RFWQZDZUNYLCAG-UHFFFAOYSA-N -1 3 374.444 3.383 20 0 FGADHM COc1ccc2c(c1)CCCCN2C(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000270789400 497203974 /nfs/dbraw/zinc/20/39/74/497203974.db2.gz CDDHAPSESBEDIA-UHFFFAOYSA-N -1 3 355.438 3.110 20 0 FGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@H](C)c1ccc(C)c(F)c1 ZINC000189677163 497207337 /nfs/dbraw/zinc/20/73/37/497207337.db2.gz GNKLFUAMAOCKLI-LLVKDONJSA-N -1 3 371.455 3.330 20 0 FGADHM O=S(=O)(C[C@H]1CCCCO1)[N-]c1cccc(C2SCCS2)c1 ZINC000265917579 497207820 /nfs/dbraw/zinc/20/78/20/497207820.db2.gz OWCRDPUOVXHTEA-CQSZACIVSA-N -1 3 359.538 3.476 20 0 FGADHM Cc1ccc(C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)c([O-])c1C ZINC000265947905 497215226 /nfs/dbraw/zinc/21/52/26/497215226.db2.gz SLYYGEOPTJDVDW-BBRMVZONSA-N -1 3 362.470 3.384 20 0 FGADHM O=C([N-]OC[C@H]1CCOC1)Nc1ccc(COCc2ccccc2)cc1 ZINC000189698124 497215871 /nfs/dbraw/zinc/21/58/71/497215871.db2.gz ZCVMUOSPSHZCAS-SFHVURJKSA-N -1 3 356.422 3.493 20 0 FGADHM COc1cc(C(=O)NC[C@@H](OC)c2ccc(Cl)cc2)cc(OC)c1[O-] ZINC000270862531 497216937 /nfs/dbraw/zinc/21/69/37/497216937.db2.gz ZUGDQROFPPTTHP-MRXNPFEDSA-N -1 3 365.813 3.180 20 0 FGADHM CC[C@@H]1CN(Cc2nc(=O)c3cc(-c4ccccc4)sc3[n-]2)C[C@H]1O ZINC000270868271 497217768 /nfs/dbraw/zinc/21/77/68/497217768.db2.gz IUYMRWRUFOYIMM-IUODEOHRSA-N -1 3 355.463 3.267 20 0 FGADHM COC[C@H]([N-]S(=O)(=O)Cc1ccc(C)cc1F)c1ccc(F)c(F)c1 ZINC000192823505 497223486 /nfs/dbraw/zinc/22/34/86/497223486.db2.gz RKEYBQSHIVUQFB-KRWDZBQOSA-N -1 3 373.396 3.219 20 0 FGADHM O=C1Cc2cc(S(=O)(=O)[N-]c3ccsc3Cl)cc3c2N1CCC3 ZINC000189731619 497226794 /nfs/dbraw/zinc/22/67/94/497226794.db2.gz XDFMKCFHOBVZGW-UHFFFAOYSA-N -1 3 368.867 3.038 20 0 FGADHM CC[C@@H]1CN(Cc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)C[C@@H]1O ZINC000270942870 497229977 /nfs/dbraw/zinc/22/99/77/497229977.db2.gz RRYXAUQBXLCDFA-DOMZBBRYSA-N -1 3 355.463 3.267 20 0 FGADHM CC[C@H](NC(=O)CNC(=O)c1cccc([O-])c1)c1ccc(Cl)s1 ZINC000275142388 497242828 /nfs/dbraw/zinc/24/28/28/497242828.db2.gz LZDXPTFXYDIBME-LBPRGKRZSA-N -1 3 352.843 3.104 20 0 FGADHM COC[C@@H]([N-]S(=O)(=O)c1sc(C)nc1C)c1ccc(Cl)cc1 ZINC000192926718 497248478 /nfs/dbraw/zinc/24/84/78/497248478.db2.gz REIVFBBMMCVGRU-CYBMUJFWSA-N -1 3 360.888 3.079 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N3CCC([C@@H]4CCCO4)CC3)c[n-]c12 ZINC000189813133 497253639 /nfs/dbraw/zinc/25/36/39/497253639.db2.gz QSWPKRRPCQKZRH-KRWDZBQOSA-N -1 3 358.413 3.007 20 0 FGADHM CC(C)(C)OC(=O)CCNC(=O)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000189852836 497267835 /nfs/dbraw/zinc/26/78/35/497267835.db2.gz TVIMLXAMWWXXHE-UHFFFAOYSA-N -1 3 355.847 3.253 20 0 FGADHM Cc1ccc(C(=O)N(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)c([O-])c1C ZINC000271172727 497279342 /nfs/dbraw/zinc/27/93/42/497279342.db2.gz AKMNDPRBNQFRMY-CQSZACIVSA-N -1 3 361.463 3.246 20 0 FGADHM O=C(c1c[n-]c2ccncc2c1=O)N1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000572124579 505896555 /nfs/dbraw/zinc/89/65/55/505896555.db2.gz JFQVJXPMISBKHP-BJWYYQGGSA-N -1 3 359.429 3.474 20 0 FGADHM COCCSc1ccc([C@@H](C)NC(=O)c2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC000572132939 505897646 /nfs/dbraw/zinc/89/76/46/505897646.db2.gz SFOWYMJWZXIQLI-GFCCVEGCSA-N -1 3 373.478 3.289 20 0 FGADHM COC(=O)C(C)(C)c1ccc(NCc2nc(C(F)(F)F)cc(=O)[n-]2)cc1 ZINC000271249039 497302812 /nfs/dbraw/zinc/30/28/12/497302812.db2.gz DJBYXIHTZOIMKI-UHFFFAOYSA-N -1 3 369.343 3.264 20 0 FGADHM CC(C)c1cc(NC(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)no1 ZINC000266418472 497334465 /nfs/dbraw/zinc/33/44/65/497334465.db2.gz UAWUHATXIGKWPE-UHFFFAOYSA-N -1 3 372.425 3.386 20 0 FGADHM O=C(c1ccc(O)cc1[O-])N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000193317755 497349229 /nfs/dbraw/zinc/34/92/29/497349229.db2.gz GSAMQUYERWOWOA-UHFFFAOYSA-N -1 3 366.339 3.079 20 0 FGADHM CO[C@H](C)CS(=O)(=O)[N-]c1cccc(C[S@](=O)C2CCCCC2)c1 ZINC000193328950 497351618 /nfs/dbraw/zinc/35/16/18/497351618.db2.gz CHLZKKKLEXMRKK-FATZIPQQSA-N -1 3 373.540 3.045 20 0 FGADHM CS(=O)(=O)[N-]c1cc(NC(=O)C/C=C\c2ccc(F)cc2)ccc1F ZINC000254941128 497352956 /nfs/dbraw/zinc/35/29/56/497352956.db2.gz MCAOMNIBZVTKAZ-IHWYPQMZSA-N -1 3 366.389 3.378 20 0 FGADHM CC[C@H]1CC[C@@H](C)N1C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000271488414 497361712 /nfs/dbraw/zinc/36/17/12/497361712.db2.gz VLXAQGQFWRCSTA-OCCSQVGLSA-N -1 3 369.487 3.252 20 0 FGADHM Cc1ccc(/C=C\CC(=O)NCCCNC(=O)c2cccc([O-])c2)cc1 ZINC000255328289 497364424 /nfs/dbraw/zinc/36/44/24/497364424.db2.gz KZIHWAIJUQDWOA-DJWKRKHSSA-N -1 3 352.434 3.040 20 0 FGADHM C[C@@H](CCNC(=O)Nc1ccc(C[C@H]2NC(=O)[N-]C2=O)cc1)CC(C)(C)C ZINC000190187263 497391871 /nfs/dbraw/zinc/39/18/71/497391871.db2.gz MYFJTURNIYGPGW-XJKSGUPXSA-N -1 3 374.485 3.021 20 0 FGADHM COc1cccc2c(C(=O)Nc3ccc(NC(C)=O)c(Cl)c3)[n-]nc21 ZINC000572165850 505905264 /nfs/dbraw/zinc/90/52/64/505905264.db2.gz PYCPKBSVBGZRGK-UHFFFAOYSA-N -1 3 358.785 3.436 20 0 FGADHM COc1cccc2c(C(=O)Nc3ccc(NC(C)=O)c(Cl)c3)n[n-]c21 ZINC000572165850 505905268 /nfs/dbraw/zinc/90/52/68/505905268.db2.gz PYCPKBSVBGZRGK-UHFFFAOYSA-N -1 3 358.785 3.436 20 0 FGADHM O=C(N[C@@H]1CCO[C@@]2(CCSC2)C1)c1cc([O-])ccc1C(F)(F)F ZINC000193599997 497424708 /nfs/dbraw/zinc/42/47/08/497424708.db2.gz YMEADAXUMFIYQW-BMIGLBTASA-N -1 3 361.385 3.196 20 0 FGADHM O=C(N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)c1cc([O-])ccc1C(F)(F)F ZINC000193679996 497445160 /nfs/dbraw/zinc/44/51/60/497445160.db2.gz ZCNSEXCFIVDERM-DFBGVHRSSA-N -1 3 355.356 3.489 20 0 FGADHM Cc1cccc(C(=O)N2CCC3(C[C@H]3N(C)Cc3nccs3)CC2)c1[O-] ZINC000275859042 497449291 /nfs/dbraw/zinc/44/92/91/497449291.db2.gz ZAECMYMAEURZGO-MRXNPFEDSA-N -1 3 371.506 3.284 20 0 FGADHM CCCCS(=O)(=O)Nc1ccc(NC(=O)[N-]OC2CCCC2)cc1 ZINC000271784351 497449668 /nfs/dbraw/zinc/44/96/68/497449668.db2.gz GRPNUZPORIWVAO-UHFFFAOYSA-N -1 3 355.460 3.224 20 0 FGADHM CCCCS(=O)(=O)Nc1ccc(NC([O-])=NOC2CCCC2)cc1 ZINC000271784351 497449664 /nfs/dbraw/zinc/44/96/64/497449664.db2.gz GRPNUZPORIWVAO-UHFFFAOYSA-N -1 3 355.460 3.224 20 0 FGADHM Cc1c(NC([O-])=NOC2CCCC2)cccc1S(=O)(=O)NC(C)(C)C ZINC000271788677 497451170 /nfs/dbraw/zinc/45/11/70/497451170.db2.gz HKKBCJNSMSGXCW-UHFFFAOYSA-N -1 3 369.487 3.068 20 0 FGADHM Cc1c(NC(=O)[N-]OC2CCCC2)cccc1S(=O)(=O)NC(C)(C)C ZINC000271788677 497451173 /nfs/dbraw/zinc/45/11/73/497451173.db2.gz HKKBCJNSMSGXCW-UHFFFAOYSA-N -1 3 369.487 3.068 20 0 FGADHM CN1CC[C@H]([N-]S(=O)(=O)c2cccs2)[C@H]1c1ccc(Cl)cc1 ZINC000245548852 497451234 /nfs/dbraw/zinc/45/12/34/497451234.db2.gz GAFZJXDYEOZVGQ-DZGCQCFKSA-N -1 3 356.900 3.125 20 0 FGADHM Cc1cc(C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)ccn1 ZINC000279507757 497457768 /nfs/dbraw/zinc/45/77/68/497457768.db2.gz QHCNJTHHFZMGJZ-UHFFFAOYSA-N -1 3 373.840 3.240 20 0 FGADHM CN(C(=O)c1cccc([O-])c1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000190432521 497478298 /nfs/dbraw/zinc/47/82/98/497478298.db2.gz KFCXCQHKWNMKIO-HZPDHXFCSA-N -1 3 352.217 3.429 20 0 FGADHM CC(C)c1ccc(NC(=O)c2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)cc1 ZINC000267095147 497484365 /nfs/dbraw/zinc/48/43/65/497484365.db2.gz VYPZUGAXPJQYRG-FQEVSTJZSA-N -1 3 351.406 3.117 20 0 FGADHM CCC1(CC)CN(C(=O)c2cc([O-])ccc2C(F)(F)F)CC[S@@]1=O ZINC000193847696 497500303 /nfs/dbraw/zinc/50/03/03/497500303.db2.gz GOUODERIXFRTQO-DEOSSOPVSA-N -1 3 363.401 3.174 20 0 FGADHM CCCCOc1ccc(C(=O)N[C@@H](C)Cc2c(C)nn(C)c2C)c([O-])c1 ZINC000190499284 497505874 /nfs/dbraw/zinc/50/58/74/497505874.db2.gz KCFVCPIAIIXJIA-ZDUSSCGKSA-N -1 3 359.470 3.282 20 0 FGADHM C[N-]S(=O)(=O)c1cc(C(=O)NC2CCC3(CCCCC3)CC2)c(C)o1 ZINC000190503196 497507854 /nfs/dbraw/zinc/50/78/54/497507854.db2.gz RPKCJHZIDOMIKX-UHFFFAOYSA-N -1 3 368.499 3.119 20 0 FGADHM CN1CC[C@H](CNC(=O)c2ncccc2[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000245734000 497520913 /nfs/dbraw/zinc/52/09/13/497520913.db2.gz UJMDEFDITIMLPT-SJKOYZFVSA-N -1 3 363.820 3.003 20 0 FGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@H]2C[C@H](C)C[C@H](C)C2)cc1OC ZINC000245733362 497521017 /nfs/dbraw/zinc/52/10/17/497521017.db2.gz QLHDLHWIGLPKGK-WDNDVIMCSA-N -1 3 368.499 3.468 20 0 FGADHM CCc1ccc(C(=O)N2CC[C@H](n3c(C)nc4c3CCCC4)C2)c([O-])c1 ZINC000276248737 497529096 /nfs/dbraw/zinc/52/90/96/497529096.db2.gz PFXLTFCIODDVMK-INIZCTEOSA-N -1 3 353.466 3.426 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H]2CCO[C@H]2c2ccc(Cl)cc2)c1 ZINC000272098096 497534819 /nfs/dbraw/zinc/53/48/19/497534819.db2.gz KTGVRLKASVHVFB-WMZOPIPTSA-N -1 3 374.824 3.264 20 0 FGADHM CC[C@@H]1CCC[C@H]1c1nc(-c2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)no1 ZINC000581113787 505912664 /nfs/dbraw/zinc/91/26/64/505912664.db2.gz RSPPYGDROOWQRX-FRGNPEFRSA-N -1 3 354.410 3.085 20 0 FGADHM Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)[N-]c1ncnn1C ZINC000190620435 497548984 /nfs/dbraw/zinc/54/89/84/497548984.db2.gz RUWRSDPIKKTTGQ-UHFFFAOYSA-N -1 3 351.288 3.050 20 0 FGADHM O=C([N-]OC[C@H]1CCOC1)Nc1cccc(CSc2ccccn2)c1 ZINC000276351176 497551711 /nfs/dbraw/zinc/55/17/11/497551711.db2.gz IOTHMUDAKLPUOS-HNNXBMFYSA-N -1 3 359.451 3.464 20 0 FGADHM COc1ccc(-n2c(C)nnc2S[C@H](C)c2nc(C)cc(=O)[n-]2)cc1 ZINC000279834036 497558151 /nfs/dbraw/zinc/55/81/51/497558151.db2.gz CFFBQTORVNFHDM-LLVKDONJSA-N -1 3 357.439 3.242 20 0 FGADHM CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1cccc([O-])c1 ZINC000194051526 497558794 /nfs/dbraw/zinc/55/87/94/497558794.db2.gz NXQCNYZMMZMJTC-UHFFFAOYSA-N -1 3 366.339 3.300 20 0 FGADHM CO[C@H]1CCC[C@H](CC(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)C1 ZINC000279861848 497567221 /nfs/dbraw/zinc/56/72/21/497567221.db2.gz IZVZJIUYCZSFOV-RDJZCZTQSA-N -1 3 374.481 3.165 20 0 FGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000190705725 497579205 /nfs/dbraw/zinc/57/92/05/497579205.db2.gz HBHWJWNGPYLXFP-LLVKDONJSA-N -1 3 373.419 3.426 20 0 FGADHM CN(C(=O)c1cccc(NC(=O)[N-]OC[C@@H]2CCOC2)c1)c1ccccc1 ZINC000276459773 497580105 /nfs/dbraw/zinc/58/01/05/497580105.db2.gz XDILBUHAUQFFLP-OAHLLOKOSA-N -1 3 369.421 3.053 20 0 FGADHM O=C(NCc1ccc([O-])c(Br)c1)c1n[nH]c2c1CCCCC2 ZINC000190726801 497586557 /nfs/dbraw/zinc/58/65/57/497586557.db2.gz KVNYOLXHDYGGKG-UHFFFAOYSA-N -1 3 364.243 3.077 20 0 FGADHM CO[C@H](C)c1nc(C[N-]S(=O)(=O)c2ccc(C)c(Cl)c2)cs1 ZINC000267619865 497588731 /nfs/dbraw/zinc/58/87/31/497588731.db2.gz KLSRZWRZJRRXSZ-SNVBAGLBSA-N -1 3 360.888 3.291 20 0 FGADHM Cn1c(CN[C@@H]2CCCC[C@@H]2C(=O)[O-])nc2cc(C(F)(F)F)ccc21 ZINC000581132399 505917359 /nfs/dbraw/zinc/91/73/59/505917359.db2.gz HRRLTDGVRWUDOG-NWDGAFQWSA-N -1 3 355.360 3.325 20 0 FGADHM O=C([N-]c1nnc(C(F)(F)F)s1)c1cnnc(-c2ccccc2)c1 ZINC000578343843 505919068 /nfs/dbraw/zinc/91/90/68/505919068.db2.gz RWZNKTNKKGGBFM-UHFFFAOYSA-N -1 3 351.313 3.266 20 0 FGADHM Cc1cc(C(=O)Nc2ccc(C(=O)N3CCOCC3)c(Cl)c2)ccc1[O-] ZINC000272453072 497632987 /nfs/dbraw/zinc/63/29/87/497632987.db2.gz NRUZWLRIVSEAKR-UHFFFAOYSA-N -1 3 374.824 3.079 20 0 FGADHM CO[C@]1(C)CCCN(C(=O)NCc2ccc([O-])c(Br)c2)CC1 ZINC000280056130 497633817 /nfs/dbraw/zinc/63/38/17/497633817.db2.gz YBDSJKNIPVGLDL-MRXNPFEDSA-N -1 3 371.275 3.255 20 0 FGADHM COc1cc(=NC(=O)N[C@@H]2CCC[C@H](c3ccc(Cl)cc3)C2)[n-]n1C ZINC000575092948 505919475 /nfs/dbraw/zinc/91/94/75/505919475.db2.gz SZEAWKPHPSTPOO-DZGCQCFKSA-N -1 3 362.861 3.352 20 0 FGADHM Cc1cc(C(=O)N2CCC(C3N=NC(=S)N3C(C)C)CC2)ccc1[O-] ZINC000272492039 497642257 /nfs/dbraw/zinc/64/22/57/497642257.db2.gz RSYXYEJBGMBCFH-UHFFFAOYSA-N -1 3 360.483 3.182 20 0 FGADHM CCOCCOc1ccc(S(=O)(=O)[N-]c2cc(OC)ccc2F)cc1 ZINC000267976292 497649868 /nfs/dbraw/zinc/64/98/68/497649868.db2.gz DHMHWVDWPVYXAZ-UHFFFAOYSA-N -1 3 369.414 3.050 20 0 FGADHM O=C([O-])c1cccc(CN2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)c1 ZINC000262944410 497662509 /nfs/dbraw/zinc/66/25/09/497662509.db2.gz ABANGKVZUPTHRS-UHFFFAOYSA-N -1 3 373.840 3.284 20 0 FGADHM CC(C)c1cc(C(=O)N2CC[C@@H](N3CCCC3=O)C2)c([O-])c(C(C)C)c1 ZINC000276837594 497667125 /nfs/dbraw/zinc/66/71/25/497667125.db2.gz WXKIZBZSZNZYBM-MRXNPFEDSA-N -1 3 358.482 3.476 20 0 FGADHM Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)[N-]c1nnc(C)n1C ZINC000276902839 497683431 /nfs/dbraw/zinc/68/34/31/497683431.db2.gz WAUQVBTWTYVQBC-UHFFFAOYSA-N -1 3 365.315 3.358 20 0 FGADHM C[C@@H]1C[C@@H](C(=O)[O-])CN(CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000263042013 497689521 /nfs/dbraw/zinc/68/95/21/497689521.db2.gz JBTDKULSBXSJJF-BXUZGUMPSA-N -1 3 366.255 3.268 20 0 FGADHM COc1cc(C(=O)N2CCO[C@H](c3ccc(F)c(Cl)c3)C2)ccc1[O-] ZINC000276933993 497692321 /nfs/dbraw/zinc/69/23/21/497692321.db2.gz OTGSCEWLMOBYHV-KRWDZBQOSA-N -1 3 365.788 3.407 20 0 FGADHM CCc1cc(=O)[n-]c(CN2CCC(C(=O)c3cc(F)ccc3F)CC2)n1 ZINC000268258459 497713644 /nfs/dbraw/zinc/71/36/44/497713644.db2.gz WOGZMJUMPIGACK-UHFFFAOYSA-N -1 3 361.392 3.118 20 0 FGADHM CC(C)n1cnc(S(=O)(=O)[N-][C@H]2C[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000581166711 505924655 /nfs/dbraw/zinc/92/46/55/505924655.db2.gz MUGPDHCGGBSBSQ-CTYIDZIISA-N -1 3 353.875 3.342 20 0 FGADHM Oc1[n-]c(N[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2)nc2nncc1-2 ZINC000277013290 497715434 /nfs/dbraw/zinc/71/54/34/497715434.db2.gz YEJJRQSPJVORNL-SECBINFHSA-N -1 3 365.224 3.056 20 0 FGADHM CNC(=O)c1ccc([N-]S(=O)(=O)Cc2ccc(C)cc2F)c(Cl)c1 ZINC000194644084 497727665 /nfs/dbraw/zinc/72/76/65/497727665.db2.gz AWRIDHPFTADWDG-UHFFFAOYSA-N -1 3 370.833 3.089 20 0 FGADHM CC(C)n1ccc(NC(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)n1 ZINC000280396152 497741041 /nfs/dbraw/zinc/74/10/41/497741041.db2.gz BAHZTGNQBNTKNE-UHFFFAOYSA-N -1 3 371.441 3.052 20 0 FGADHM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)C1CCN(Cc2ccccc2)CC1 ZINC000263275725 497747236 /nfs/dbraw/zinc/74/72/36/497747236.db2.gz YIXVDXYENKDHAQ-UHFFFAOYSA-N -1 3 366.461 3.255 20 0 FGADHM COc1cc(C(=O)N2CCC[C@@H]2Cn2cnc3ccccc32)ccc1[O-] ZINC000277123079 497748657 /nfs/dbraw/zinc/74/86/57/497748657.db2.gz ONWXWLZHUANQLV-OAHLLOKOSA-N -1 3 351.406 3.055 20 0 FGADHM COCc1nc(SCC(=O)N[C@@H](c2ccccc2)C2CCCCC2)n[n-]1 ZINC000268460029 497756217 /nfs/dbraw/zinc/75/62/17/497756217.db2.gz DPQIJKKXDBQKDX-SFHVURJKSA-N -1 3 374.510 3.481 20 0 FGADHM O=C(c1ccccc1[O-])N1CCN(Cc2ccc(OCC3CC3)cc2)CC1 ZINC000191251357 497757654 /nfs/dbraw/zinc/75/76/54/497757654.db2.gz HGBJTSCPCLNCJP-UHFFFAOYSA-N -1 3 366.461 3.139 20 0 FGADHM CCOC(=O)N1CCc2c(sc3[n-]c(-c4ccncc4F)nc(=O)c23)C1 ZINC000272907133 497758792 /nfs/dbraw/zinc/75/87/92/497758792.db2.gz KQUQJEWMVIRZIV-UHFFFAOYSA-N -1 3 374.397 3.113 20 0 FGADHM COc1cccc(CSC[C@H](NCc2cc(F)ccc2F)C(=O)[O-])c1 ZINC000277157403 497759582 /nfs/dbraw/zinc/75/95/82/497759582.db2.gz DAYITTDRYKMOFE-KRWDZBQOSA-N -1 3 367.417 3.450 20 0 FGADHM COc1cc(CN[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])cc2c1OCCO2 ZINC000277166425 497762635 /nfs/dbraw/zinc/76/26/35/497762635.db2.gz DNWIPTBFJKTGLZ-SCLBCKFNSA-N -1 3 357.406 3.018 20 0 FGADHM CN(Cc1nc(=O)c2sccc2[n-]1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000268502473 497768107 /nfs/dbraw/zinc/76/81/07/497768107.db2.gz AMVHTRMAUCSCCJ-HNNXBMFYSA-N -1 3 354.479 3.103 20 0 FGADHM Cc1nn(Cc2ccc(Cl)cc2)c(C)c1CN1CCC[C@H](C(=O)[O-])C1 ZINC000263381470 497772938 /nfs/dbraw/zinc/77/29/38/497772938.db2.gz BVBKRIDZOJISRF-INIZCTEOSA-N -1 3 361.873 3.498 20 0 FGADHM CCCN(CC(=O)[O-])Cc1cccc(Br)c1OC(F)F ZINC000263414147 497778995 /nfs/dbraw/zinc/77/89/95/497778995.db2.gz MNKOIGKIJXUBSQ-UHFFFAOYSA-N -1 3 352.175 3.347 20 0 FGADHM CC(C)C[C@@H](CNCc1cn(-c2cccc(Cl)c2Cl)nn1)C(=O)[O-] ZINC000263507740 497793402 /nfs/dbraw/zinc/79/34/02/497793402.db2.gz WIEUHFJPKLPGSO-NSHDSACASA-N -1 3 371.268 3.411 20 0 FGADHM O=C(NC1CCN(C(=O)c2cc([O-])ccc2Cl)CC1)c1ccsc1 ZINC000277295297 497797280 /nfs/dbraw/zinc/79/72/80/497797280.db2.gz AQLIDSHQSYWGAH-UHFFFAOYSA-N -1 3 364.854 3.142 20 0 FGADHM Cc1cc(C(=O)CN2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)c(C)n1CC(F)(F)F ZINC000263569117 497801010 /nfs/dbraw/zinc/80/10/10/497801010.db2.gz HIFAHUKTQATXNC-SUMWQHHRSA-N -1 3 372.387 3.037 20 0 FGADHM Cc1ccc(C(=O)NC2CCN(Cc3ccc(C(=O)[O-])cc3)CC2)s1 ZINC000263582941 497803308 /nfs/dbraw/zinc/80/33/08/497803308.db2.gz ZGEFMWJEMQOHDU-UHFFFAOYSA-N -1 3 358.463 3.149 20 0 FGADHM C[C@H](Sc1n[n-]c(-c2ccccn2)n1)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000246921737 497820567 /nfs/dbraw/zinc/82/05/67/497820567.db2.gz BIJWHFNJDWVPDJ-YIYPIFLZSA-N -1 3 359.499 3.288 20 0 FGADHM CSCCON=C([O-])Nc1ccc(OC(F)F)cc1OC(F)F ZINC000280610149 497824117 /nfs/dbraw/zinc/82/41/17/497824117.db2.gz VJTZHCFAAZEUBV-UHFFFAOYSA-N -1 3 358.313 3.306 20 0 FGADHM CSCCO[N-]C(=O)Nc1ccc(OC(F)F)cc1OC(F)F ZINC000280610149 497824122 /nfs/dbraw/zinc/82/41/22/497824122.db2.gz VJTZHCFAAZEUBV-UHFFFAOYSA-N -1 3 358.313 3.306 20 0 FGADHM CCOC(=O)CC1(S(=O)(=O)[N-]c2cc(C(=O)CC)ccc2Cl)CC1 ZINC000569436371 505934578 /nfs/dbraw/zinc/93/45/78/505934578.db2.gz WGWAQEHWOQGRHI-UHFFFAOYSA-N -1 3 373.858 3.160 20 0 FGADHM Cc1csc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccc(OC(F)F)cc2)c1 ZINC000575133487 505928525 /nfs/dbraw/zinc/92/85/25/505928525.db2.gz CFMAHYCGALIOFU-QWHCGFSZSA-N -1 3 359.419 3.492 20 0 FGADHM CCC[C@](C)(CC)c1nc(-c2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)no1 ZINC000575167247 505935477 /nfs/dbraw/zinc/93/54/77/505935477.db2.gz WKSYFCXLPQFSGT-RBUKOAKNSA-N -1 3 356.426 3.259 20 0 FGADHM COC(=O)CCCO[N-]C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000288642930 497855795 /nfs/dbraw/zinc/85/57/95/497855795.db2.gz AMEJTOCWDJMUMY-UHFFFAOYSA-N -1 3 365.611 3.109 20 0 FGADHM Cc1ccccc1CN1CCCN(CCOc2ccccc2C(=O)[O-])CC1 ZINC000364244457 497857939 /nfs/dbraw/zinc/85/79/39/497857939.db2.gz JXLOHTQKZFNOAT-UHFFFAOYSA-N -1 3 368.477 3.280 20 0 FGADHM COc1cc(-c2noc([C@H]3CCCN3C(=O)c3ccccc3)n2)ccc1[O-] ZINC000295961842 497870679 /nfs/dbraw/zinc/87/06/79/497870679.db2.gz PPHRIWVJMINMHQ-OAHLLOKOSA-N -1 3 365.389 3.428 20 0 FGADHM CC1CCC(N(C(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)C2CC2)CC1 ZINC000299693588 497898119 /nfs/dbraw/zinc/89/81/19/497898119.db2.gz XARZETIMIMJPQZ-UHFFFAOYSA-N -1 3 368.474 3.381 20 0 FGADHM Cc1c(Br)ccc([O-])c1NC(=O)c1ncn(C(C)(C)C)n1 ZINC000296055542 497905707 /nfs/dbraw/zinc/90/57/07/497905707.db2.gz NEDQVMWCNNFHTD-UHFFFAOYSA-N -1 3 353.220 3.062 20 0 FGADHM COC(=O)[C@H](C)N(C)Cc1nc(=O)c2cc(-c3ccccc3)sc2[n-]1 ZINC000280874292 497931042 /nfs/dbraw/zinc/93/10/42/497931042.db2.gz ZSGIRESVWJHKPE-NSHDSACASA-N -1 3 357.435 3.057 20 0 FGADHM Cc1cc(Cl)cc(NC(=O)c2cc3c(s2)CCS(=O)(=O)C3)c1[O-] ZINC000364403037 497940116 /nfs/dbraw/zinc/94/01/16/497940116.db2.gz MQAKHBQAWIDAQR-UHFFFAOYSA-N -1 3 371.867 3.139 20 0 FGADHM CO[C@@H](CS(=O)(=O)[N-]c1cccc(-c2csc(C)n2)c1)C1CC1 ZINC000575310934 505958617 /nfs/dbraw/zinc/95/86/17/505958617.db2.gz KWWGUAMYGKYKFE-INIZCTEOSA-N -1 3 352.481 3.285 20 0 FGADHM O=S(=O)([N-][C@@H]1CCC[C@@H]2OCC[C@H]21)c1cc(Cl)cc(Cl)c1 ZINC000329899555 497945022 /nfs/dbraw/zinc/94/50/22/497945022.db2.gz FNGVCHBIPFJEDB-MJBXVCDLSA-N -1 3 350.267 3.229 20 0 FGADHM CSC[C@@H]1CCCN(Cc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)C1 ZINC000292276639 497949564 /nfs/dbraw/zinc/94/95/64/497949564.db2.gz BJVSBTWOCCNQBS-CQSZACIVSA-N -1 3 369.494 3.096 20 0 FGADHM COC(=O)c1sc2[n-]c(CN(C3CCC3)C3CCC3)nc(=O)c2c1C ZINC000292338955 497975313 /nfs/dbraw/zinc/97/53/13/497975313.db2.gz GOLXEEGWJQAKSF-UHFFFAOYSA-N -1 3 361.467 3.399 20 0 FGADHM Cc1nnc([N-]C(=O)c2cc3sc(N4CCCC4)nc3s2)n1C1CC1 ZINC000285074248 497986644 /nfs/dbraw/zinc/98/66/44/497986644.db2.gz DPQXKWFEYLYTSJ-UHFFFAOYSA-N -1 3 374.495 3.445 20 0 FGADHM O=C([O-])c1cn(C2CCN(Cc3ccc(Cl)c4cccnc34)CC2)nn1 ZINC000575331948 505963408 /nfs/dbraw/zinc/96/34/08/505963408.db2.gz IZNGXIOOOUYSGT-UHFFFAOYSA-N -1 3 371.828 3.015 20 0 FGADHM CCOc1cc(-c2noc(CCOCC(F)(F)C(F)F)n2)ccc1[O-] ZINC000289094665 498012895 /nfs/dbraw/zinc/01/28/95/498012895.db2.gz JVUNHTYTAZEPOZ-UHFFFAOYSA-N -1 3 364.295 3.300 20 0 FGADHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)c2nccn21 ZINC000569557478 505964158 /nfs/dbraw/zinc/96/41/58/505964158.db2.gz IFRLTYIZBMLOGK-KCJUWKMLSA-N -1 3 363.336 3.025 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(NCCC(=O)Nc3ccccc3)nc2)n1 ZINC000301261779 498026187 /nfs/dbraw/zinc/02/61/87/498026187.db2.gz LPMALLHJIMHIRM-UHFFFAOYSA-N -1 3 363.421 3.247 20 0 FGADHM Cc1c(NC(=O)c2cccc3nn[n-]c32)cnn1-c1ccc(Cl)cc1 ZINC000581346451 505966560 /nfs/dbraw/zinc/96/65/60/505966560.db2.gz IEPHZRBCSXBVIC-UHFFFAOYSA-N -1 3 352.785 3.358 20 0 FGADHM Cc1c(NC(=O)c2cccc3[n-]nnc32)cnn1-c1ccc(Cl)cc1 ZINC000581346451 505966564 /nfs/dbraw/zinc/96/65/64/505966564.db2.gz IEPHZRBCSXBVIC-UHFFFAOYSA-N -1 3 352.785 3.358 20 0 FGADHM Cc1c(NC(=O)c2cccc3n[n-]nc32)cnn1-c1ccc(Cl)cc1 ZINC000581346451 505966567 /nfs/dbraw/zinc/96/65/67/505966567.db2.gz IEPHZRBCSXBVIC-UHFFFAOYSA-N -1 3 352.785 3.358 20 0 FGADHM C[C@@H]1CCN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C[C@@H]1C ZINC000569580834 505970160 /nfs/dbraw/zinc/97/01/60/505970160.db2.gz LAPIGNHYOYCOJU-MNOVXSKESA-N -1 3 363.255 3.409 20 0 FGADHM COC(=O)c1sc2[n-]c(CSc3nc(C)c(C)[nH]3)nc(=O)c2c1C ZINC000292535840 498051037 /nfs/dbraw/zinc/05/10/37/498051037.db2.gz APJALOACQVCPJT-UHFFFAOYSA-N -1 3 364.452 3.124 20 0 FGADHM CCc1nc(C)c(CNC(=O)NCc2ccc([O-])c(Br)c2)o1 ZINC000292576726 498066376 /nfs/dbraw/zinc/06/63/76/498066376.db2.gz LQHAIXPEMFTZJT-UHFFFAOYSA-N -1 3 368.231 3.013 20 0 FGADHM [O-]c1cccnc1CSc1nnc(CN2CCCC2)n1-c1ccccc1 ZINC000578589527 505974295 /nfs/dbraw/zinc/97/42/95/505974295.db2.gz VLCBUKPYTQACID-UHFFFAOYSA-N -1 3 367.478 3.256 20 0 FGADHM Cc1cccc(C(=O)N2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)c1[O-] ZINC000292638245 498089788 /nfs/dbraw/zinc/08/97/88/498089788.db2.gz TTZQVYMQTQCDPK-GJZGRUSLSA-N -1 3 360.454 3.030 20 0 FGADHM COc1ccc2oc(CN3CCC(C[N-]C(=O)C(F)(F)F)CC3)cc2c1 ZINC000281298866 498095488 /nfs/dbraw/zinc/09/54/88/498095488.db2.gz PNTYHLLNAZGLLH-UHFFFAOYSA-N -1 3 370.371 3.332 20 0 FGADHM CCOc1ccc(S(=O)(=O)[N-][C@H](c2nccs2)C(F)(F)F)cc1 ZINC000292663654 498101158 /nfs/dbraw/zinc/10/11/58/498101158.db2.gz ANWKPPPMJCTWCJ-LLVKDONJSA-N -1 3 366.386 3.124 20 0 FGADHM O=C([N-]c1nc2cc3c(cc2s1)OCCO3)c1snnc1C1CC1 ZINC000289322276 498105733 /nfs/dbraw/zinc/10/57/33/498105733.db2.gz CMUGMCVDZMGKCM-UHFFFAOYSA-N -1 3 360.420 3.049 20 0 FGADHM CCOc1nc2cc(C(=O)N3CC4(CCC4)[C@@H]3[C@@H]3CCCO3)ccc2[n-]1 ZINC000330333971 498108337 /nfs/dbraw/zinc/10/83/37/498108337.db2.gz YMWGHCYSPVPUMT-IRXDYDNUSA-N -1 3 355.438 3.135 20 0 FGADHM CCOc1nc2ccc(C(=O)N3CC4(CCC4)[C@@H]3[C@@H]3CCCO3)cc2[n-]1 ZINC000330333971 498108341 /nfs/dbraw/zinc/10/83/41/498108341.db2.gz YMWGHCYSPVPUMT-IRXDYDNUSA-N -1 3 355.438 3.135 20 0 FGADHM COc1cc(-c2noc([C@@H]3CC(=O)N(c4ccccc4F)C3)n2)ccc1[O-] ZINC000350581099 498118547 /nfs/dbraw/zinc/11/85/47/498118547.db2.gz PPCJRSSJAWXTLN-GFCCVEGCSA-N -1 3 369.352 3.110 20 0 FGADHM O=C([N-]C[C@H]1CCCN(Cc2cc(-c3cccs3)on2)C1)C(F)(F)F ZINC000289422418 498141023 /nfs/dbraw/zinc/14/10/23/498141023.db2.gz ICOFUPBEZSFIMM-LLVKDONJSA-N -1 3 373.400 3.294 20 0 FGADHM CC(C)(c1noc(-c2cncc([N-]S(C)(=O)=O)c2)n1)C1CCCCC1 ZINC000350837718 498141970 /nfs/dbraw/zinc/14/19/70/498141970.db2.gz HNRLNEUATPXBBB-UHFFFAOYSA-N -1 3 364.471 3.361 20 0 FGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1Cc1nc([C@@H]2CCC(F)(F)C2)no1 ZINC000281439140 498151079 /nfs/dbraw/zinc/15/10/79/498151079.db2.gz PVQZTLPQXMFBHG-GFCCVEGCSA-N -1 3 373.363 3.429 20 0 FGADHM CC[C@@](C)([N-]S(=O)(=O)c1ccc2c(c1)C(=O)CCC2)c1nccs1 ZINC000289492231 498167346 /nfs/dbraw/zinc/16/73/46/498167346.db2.gz PDMCKFFDPRHVFC-QGZVFWFLSA-N -1 3 364.492 3.266 20 0 FGADHM CC(C)ON=C([O-])Nc1cccc(CS(=O)(=O)Cc2ccccc2)c1 ZINC000296727469 498170818 /nfs/dbraw/zinc/17/08/18/498170818.db2.gz GLEUKEFPZMEBAF-UHFFFAOYSA-N -1 3 362.451 3.263 20 0 FGADHM CC(C)O[N-]C(=O)Nc1cccc(CS(=O)(=O)Cc2ccccc2)c1 ZINC000296727469 498170826 /nfs/dbraw/zinc/17/08/26/498170826.db2.gz GLEUKEFPZMEBAF-UHFFFAOYSA-N -1 3 362.451 3.263 20 0 FGADHM CS(=O)(=O)[N-]c1ccc(-c2noc([C@H]3CC34CCSCC4)n2)cc1 ZINC000351063321 498172111 /nfs/dbraw/zinc/17/21/11/498172111.db2.gz LPPPKMMOSDMNGC-CYBMUJFWSA-N -1 3 365.480 3.109 20 0 FGADHM COCCN(Cc1cccnc1)Cc1cc([O-])ccc1Br ZINC000289509819 498173640 /nfs/dbraw/zinc/17/36/40/498173640.db2.gz UQOIRHXSKKCWDU-UHFFFAOYSA-N -1 3 351.244 3.198 20 0 FGADHM C[C@@H]1CN(C(=O)C(C)(C)C)C[C@H](C)N1C(=O)Cc1ccc([O-])cc1Cl ZINC000330686132 498174247 /nfs/dbraw/zinc/17/42/47/498174247.db2.gz SHZWNEKSBKSYND-BETUJISGSA-N -1 3 366.889 3.082 20 0 FGADHM [O-]c1cc(F)cc(CN2CCOC[C@@H]2c2noc(-c3ccccc3)n2)c1 ZINC000364857682 498177758 /nfs/dbraw/zinc/17/77/58/498177758.db2.gz KMBTUASWPGGSBL-QGZVFWFLSA-N -1 3 355.369 3.155 20 0 FGADHM Cc1cccc(OC[C@H](C)[N-]S(=O)(=O)c2cccnc2C(F)(F)F)c1 ZINC000569680715 505992140 /nfs/dbraw/zinc/99/21/40/505992140.db2.gz RPAXIXHJCNEDHN-LBPRGKRZSA-N -1 3 374.384 3.155 20 0 FGADHM O=C(N[C@@H]1CC[C@H](c2cccc(Cl)c2)C1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000581472952 505996451 /nfs/dbraw/zinc/99/64/51/505996451.db2.gz MOXKTTCROJRJQD-SWLSCSKDSA-N -1 3 368.820 3.290 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCO[C@@H](c4ccsc4)C3)nc2)n1 ZINC000301650795 498206366 /nfs/dbraw/zinc/20/63/66/498206366.db2.gz RZYZIDWYXKCCHD-MRXNPFEDSA-N -1 3 368.462 3.446 20 0 FGADHM O=C(NCc1cccc(CN2CCCC2=O)c1)c1cc([O-])ccc1Cl ZINC000289593093 498209486 /nfs/dbraw/zinc/20/94/86/498209486.db2.gz RALRPEHUYGHVOY-UHFFFAOYSA-N -1 3 358.825 3.098 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)[C@@H]1CCOC1 ZINC000285861621 498223255 /nfs/dbraw/zinc/22/32/55/498223255.db2.gz DLHFTZMNQNYEOP-DTWKUNHWSA-N -1 3 357.781 3.062 20 0 FGADHM O=C(Nc1ccc(Br)cc1[O-])C1(c2ccccc2)CC(=O)C1 ZINC000578701190 505999894 /nfs/dbraw/zinc/99/98/94/505999894.db2.gz JDTGEQCHSJMENW-UHFFFAOYSA-N -1 3 360.207 3.394 20 0 FGADHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H]3CC(=O)c4ccccc43)c2)n1 ZINC000364974436 498235381 /nfs/dbraw/zinc/23/53/81/498235381.db2.gz QULWNPIJKAPDNK-KRWDZBQOSA-N -1 3 359.385 3.466 20 0 FGADHM Cc1c(Br)cccc1-n1c([O-])c(CC(F)(F)F)[nH]c1=O ZINC000285918131 498240657 /nfs/dbraw/zinc/24/06/57/498240657.db2.gz IQXKSLXWTCLKHA-MRVPVSSYSA-N -1 3 351.122 3.135 20 0 FGADHM COc1ccc([O-])c(C(=O)N2CCN(Cc3ccc(C(C)C)cc3)CC2)c1 ZINC000301748877 498249594 /nfs/dbraw/zinc/24/95/94/498249594.db2.gz KQRIGUGYRPGESZ-UHFFFAOYSA-N -1 3 368.477 3.482 20 0 FGADHM C[C@@H](CC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)c1ccccc1F ZINC000281766007 498262914 /nfs/dbraw/zinc/26/29/14/498262914.db2.gz QPIHVUJDYSBEHM-LBPRGKRZSA-N -1 3 374.378 3.236 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Cl)C1CCOCC1 ZINC000331202604 498274812 /nfs/dbraw/zinc/27/48/12/498274812.db2.gz WEUAYXKHVBJEJA-ZDUSSCGKSA-N -1 3 352.283 3.477 20 0 FGADHM C[C@@H]1CN(Cc2ccccc2NC([O-])=NOC/C=C/Cl)C[C@H](C)O1 ZINC000289800821 498299306 /nfs/dbraw/zinc/29/93/06/498299306.db2.gz KWSRSGBEGUKMNG-CSEUZHBESA-N -1 3 353.850 3.101 20 0 FGADHM C[C@@H]1CN(Cc2ccccc2NC(=O)[N-]OC/C=C/Cl)C[C@H](C)O1 ZINC000289800821 498299309 /nfs/dbraw/zinc/29/93/09/498299309.db2.gz KWSRSGBEGUKMNG-CSEUZHBESA-N -1 3 353.850 3.101 20 0 FGADHM C[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)c2nccn21 ZINC000569781737 506015194 /nfs/dbraw/zinc/01/51/94/506015194.db2.gz IBRDQQGORWBWDH-KWQFWETISA-N -1 3 363.336 3.025 20 0 FGADHM CC(C)(C)OC(=O)N[C@H]1CCC[C@@]12CCN(C(=O)c1cccc([O-])c1)C2 ZINC000365149069 498322573 /nfs/dbraw/zinc/32/25/73/498322573.db2.gz VMUUDRYVAQPQPV-JXFKEZNVSA-N -1 3 360.454 3.302 20 0 FGADHM CC(C)(C)OC(=O)N[C@H]1CCC[C@]12CCN(C(=O)c1cccc([O-])c1)C2 ZINC000365149070 498323084 /nfs/dbraw/zinc/32/30/84/498323084.db2.gz VMUUDRYVAQPQPV-OXJNMPFZSA-N -1 3 360.454 3.302 20 0 FGADHM O=C(c1cccc([O-])c1)N1CCCC[C@@H]1c1nnc(C2CCOCC2)o1 ZINC000365173314 498335328 /nfs/dbraw/zinc/33/53/28/498335328.db2.gz ZGDMMZUOYGWXAL-MRXNPFEDSA-N -1 3 357.410 3.037 20 0 FGADHM CN1C(=O)C[C@H]([N-]c2nnc(C(F)F)o2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000293306943 498340092 /nfs/dbraw/zinc/34/00/92/498340092.db2.gz ZASYXKBYBVGDEG-GXSJLCMTSA-N -1 3 360.723 3.184 20 0 FGADHM CC(C)C[C@@H](C)S(=O)(=O)[N-][C@H](c1nc(-c2ccncc2)no1)C(C)C ZINC000361068294 498340275 /nfs/dbraw/zinc/34/02/75/498340275.db2.gz HLCJPCDCGJQEIM-HIFRSBDPSA-N -1 3 366.487 3.183 20 0 FGADHM C[C@@H]1CCCC[C@@H]1OCC(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000331473727 498341790 /nfs/dbraw/zinc/34/17/90/498341790.db2.gz IKYDXGXDBFTNOC-BEFAXECRSA-N -1 3 374.481 3.165 20 0 FGADHM O=S1(=O)CCC2(C[C@@H]2c2nc(-c3ccc([O-])c4ccccc34)no2)CC1 ZINC000293344315 498353483 /nfs/dbraw/zinc/35/34/83/498353483.db2.gz FCHKBXRLHZOBTI-OAHLLOKOSA-N -1 3 370.430 3.278 20 0 FGADHM CC(=O)N(c1ccc(NC([O-])=NOCc2cccnc2)cc1)[C@@H]1C[C@@H]1C ZINC000297231148 498367737 /nfs/dbraw/zinc/36/77/37/498367737.db2.gz WNXRJCREUJUDHL-SCLBCKFNSA-N -1 3 354.410 3.096 20 0 FGADHM CC(=O)N(c1ccc(NC(=O)[N-]OCc2cccnc2)cc1)[C@@H]1C[C@@H]1C ZINC000297231148 498367746 /nfs/dbraw/zinc/36/77/46/498367746.db2.gz WNXRJCREUJUDHL-SCLBCKFNSA-N -1 3 354.410 3.096 20 0 FGADHM COc1ccccc1-c1nc([N-]C(=O)c2ccoc2C(F)(F)F)n[nH]1 ZINC000578821394 506028633 /nfs/dbraw/zinc/02/86/33/506028633.db2.gz MXFRSSSLCLLKKY-UHFFFAOYSA-N -1 3 352.272 3.344 20 0 FGADHM O=C(Nc1cccc(CNCc2cccc([O-])c2Cl)c1)[C@H]1CCCO1 ZINC000293547475 498410869 /nfs/dbraw/zinc/41/08/69/498410869.db2.gz KUIZNNXTNFYMQA-QGZVFWFLSA-N -1 3 360.841 3.453 20 0 FGADHM O=S(=O)([N-]CCCc1nccs1)c1ccccc1C(F)(F)F ZINC000290077837 498421134 /nfs/dbraw/zinc/42/11/34/498421134.db2.gz GTBNAGSPYOPXIY-UHFFFAOYSA-N -1 3 350.387 3.073 20 0 FGADHM O=S(=O)([N-][C@@H]1CCCOCC1)c1cc(Cl)ccc1C(F)(F)F ZINC000286530281 498427292 /nfs/dbraw/zinc/42/72/92/498427292.db2.gz SZDZDQPWCGMQFH-SNVBAGLBSA-N -1 3 357.781 3.206 20 0 FGADHM COc1cccc([C@H](CNC(=O)c2cccc(C)c2[O-])N2CCCC2)c1 ZINC000302178177 498430361 /nfs/dbraw/zinc/43/03/61/498430361.db2.gz YIQKHFZBMFFIPG-IBGZPJMESA-N -1 3 354.450 3.276 20 0 FGADHM Cn1ccnc1[C@H](NC(=O)c1cc([O-])ccc1Cl)c1ccc(F)cc1 ZINC000569859761 506033227 /nfs/dbraw/zinc/03/32/27/506033227.db2.gz JQRZISGCOKOYOD-MRXNPFEDSA-N -1 3 359.788 3.438 20 0 FGADHM Cc1cn2c(n1)[C@H](C[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)CCC2 ZINC000331794588 498456942 /nfs/dbraw/zinc/45/69/42/498456942.db2.gz OZEDIZPIUMVVOP-NSHDSACASA-N -1 3 374.293 3.354 20 0 FGADHM CO[C@@H](C)CS(=O)(=O)[N-]c1cccc(CC[C@@H](O)c2ccccc2)c1 ZINC000282318091 498463704 /nfs/dbraw/zinc/46/37/04/498463704.db2.gz ZDCPRWCSCPGKEF-HNAYVOBHSA-N -1 3 363.479 3.129 20 0 FGADHM CC(C)(NC(=O)c1cc([O-])ccc1Cl)C(=O)NCC1CCCCC1 ZINC000293744662 498474559 /nfs/dbraw/zinc/47/45/59/498474559.db2.gz QFMZJZVTARCAKU-UHFFFAOYSA-N -1 3 352.862 3.251 20 0 FGADHM Cc1ccc2ncc(C(=O)[O-])c(N3CCC(O[C@H]4CCOC4)CC3)c2c1 ZINC000581669080 506040855 /nfs/dbraw/zinc/04/08/55/506040855.db2.gz BQEHFMATOBIICA-HNNXBMFYSA-N -1 3 356.422 3.016 20 0 FGADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cc(C(C)(C)C)on3)cc2)n1 ZINC000365512000 498506073 /nfs/dbraw/zinc/50/60/73/498506073.db2.gz WBRNIUAKEFZRGH-UHFFFAOYSA-N -1 3 352.394 3.283 20 0 FGADHM CC(C)c1ccc(C(=O)N2CCC(CCCN3CCOCC3)CC2)c([O-])c1 ZINC000332010120 498531324 /nfs/dbraw/zinc/53/13/24/498531324.db2.gz SUYCVMLMFGOFAW-UHFFFAOYSA-N -1 3 374.525 3.480 20 0 FGADHM O=S(=O)(C[C@H]1CCCC1(F)F)[N-]Cc1ncc(-c2ccccc2)o1 ZINC000581707606 506049355 /nfs/dbraw/zinc/04/93/55/506049355.db2.gz HLHNILNGSXUSPM-CYBMUJFWSA-N -1 3 356.394 3.196 20 0 FGADHM CSCc1nc2ccccc2n1CC(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000578909572 506049462 /nfs/dbraw/zinc/04/94/62/506049462.db2.gz RQVKNIJZQWKBHR-UHFFFAOYSA-N -1 3 369.446 3.446 20 0 FGADHM O=C([N-]C[C@@H]1CCCN(C(=O)c2cccc3ccsc32)C1)C(F)(F)F ZINC000290407308 498540834 /nfs/dbraw/zinc/54/08/34/498540834.db2.gz QJPLLGNACHMTSD-NSHDSACASA-N -1 3 370.396 3.432 20 0 FGADHM Cc1ncsc1-c1nc(CSCc2cc(=O)[n-]c(C3CC3)n2)no1 ZINC000581716344 506052070 /nfs/dbraw/zinc/05/20/70/506052070.db2.gz RBDNCDDQFVCWTD-UHFFFAOYSA-N -1 3 361.452 3.308 20 0 FGADHM CSc1ccc(C(=O)NC2CCN(C(=O)c3cccc([O-])c3)CC2)cc1 ZINC000362746640 498548219 /nfs/dbraw/zinc/54/82/19/498548219.db2.gz 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O=C([N-]O[C@H]1CCCCO1)Nc1cccc(-c2ncc3n2CCCC3)c1 ZINC000291275269 498873569 /nfs/dbraw/zinc/87/35/69/498873569.db2.gz HOLCUUIQZGSSHC-KRWDZBQOSA-N -1 3 356.426 3.466 20 0 FGADHM CCCCS(=O)(=O)[N-]Cc1nc([C@H](c2ccc(C)cc2)C(C)C)no1 ZINC000579161205 506107139 /nfs/dbraw/zinc/10/71/39/506107139.db2.gz ASAQMSKOIYWEGQ-KRWDZBQOSA-N -1 3 365.499 3.385 20 0 FGADHM COCCCO[N-]C(=O)CCc1nc2cc(Br)ccc2s1 ZINC000287870114 498887601 /nfs/dbraw/zinc/88/76/01/498887601.db2.gz PZTJTFSIOKNNED-UHFFFAOYSA-N -1 3 373.272 3.076 20 0 FGADHM CN(CC(=O)N1CCC[C@H]2CCCC[C@@H]21)Cc1nc2ccsc2c(=O)[n-]1 ZINC000333105451 498901493 /nfs/dbraw/zinc/90/14/93/498901493.db2.gz FNZAEZNCNODKFX-HIFRSBDPSA-N -1 3 374.510 3.010 20 0 FGADHM Cc1ncc(CNC(=O)C2(Cc3cccc(F)c3)CCCCC2)c(=O)[n-]1 ZINC000570236189 506120820 /nfs/dbraw/zinc/12/08/20/506120820.db2.gz FCCKMACWIGFXDE-UHFFFAOYSA-N -1 3 357.429 3.439 20 0 FGADHM CSc1ccc(C(=O)NC[C@@H]2CC(=O)N(C)[C@H]2c2ccccc2)c([O-])c1 ZINC000366552623 498975309 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354.450 3.060 20 0 FGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](c2ccc(F)cc2)C(C)C)s1 ZINC000409803823 499622550 /nfs/dbraw/zinc/62/25/50/499622550.db2.gz KKDVILKVMUDKON-HNNXBMFYSA-N -1 3 371.455 3.349 20 0 FGADHM C[N-]S(=O)(=O)c1cc(NC(=O)N2CCCC23CCCCC3)ccc1F ZINC000376608086 499622680 /nfs/dbraw/zinc/62/26/80/499622680.db2.gz BQIQZNYCCNXIJJ-UHFFFAOYSA-N -1 3 369.462 3.064 20 0 FGADHM Cc1ccc(-c2nnc(NC(=O)C(C)(C)Cc3nc4ccccc4[nH]3)[n-]2)o1 ZINC000409825240 499623802 /nfs/dbraw/zinc/62/38/02/499623802.db2.gz RPCDOCMIOYJLQR-UHFFFAOYSA-N -1 3 364.409 3.457 20 0 FGADHM Cc1ccc(-c2n[n-]c(NC(=O)C(C)(C)Cc3nc4ccccc4[nH]3)n2)o1 ZINC000409825240 499623803 /nfs/dbraw/zinc/62/38/03/499623803.db2.gz RPCDOCMIOYJLQR-UHFFFAOYSA-N -1 3 364.409 3.457 20 0 FGADHM Cc1ccc(-c2nc(NC(=O)C(C)(C)Cc3nc4ccccc4[nH]3)n[n-]2)o1 ZINC000409825240 499623805 /nfs/dbraw/zinc/62/38/05/499623805.db2.gz RPCDOCMIOYJLQR-UHFFFAOYSA-N -1 3 364.409 3.457 20 0 FGADHM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)CCc2ccc(C)cc2)o1 ZINC000410161061 499646030 /nfs/dbraw/zinc/64/60/30/499646030.db2.gz HZVUVFIYZJBLPN-QGZVFWFLSA-N -1 3 351.468 3.000 20 0 FGADHM Cc1cccc2oc(CC[N-]S(=O)(=O)c3cc(C)c(F)cc3F)nc21 ZINC000410316639 499654457 /nfs/dbraw/zinc/65/44/57/499654457.db2.gz GVARDUYHPJZZQU-UHFFFAOYSA-N -1 3 366.389 3.244 20 0 FGADHM Cc1cccc2oc(CC[N-]S(=O)(=O)c3ccc(Cl)cc3F)nc21 ZINC000410318192 499654651 /nfs/dbraw/zinc/65/46/51/499654651.db2.gz ORCHYFDGCBVNJX-UHFFFAOYSA-N -1 3 368.817 3.450 20 0 FGADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2Cl)cc1OC ZINC000410353818 499657310 /nfs/dbraw/zinc/65/73/10/499657310.db2.gz MVNCZCHYMRTWEJ-UHFFFAOYSA-N -1 3 369.826 3.244 20 0 FGADHM Cc1ccc(Cl)c([N-]S(=O)(=O)c2cc(Cl)cc(C(N)=O)c2)c1 ZINC000410387020 499659350 /nfs/dbraw/zinc/65/93/50/499659350.db2.gz ZMHBQLRCWSGTBK-UHFFFAOYSA-N -1 3 359.234 3.202 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N3CC(COc4ccccc4)C3)c[n-]c12 ZINC000377146832 499666066 /nfs/dbraw/zinc/66/60/66/499666066.db2.gz PROLRNDQPXMHMW-UHFFFAOYSA-N -1 3 366.392 3.127 20 0 FGADHM CC[C@@H](Oc1ccccc1Cl)C(=O)[N-]c1nncn1-c1cccnc1 ZINC000377191418 499669326 /nfs/dbraw/zinc/66/93/26/499669326.db2.gz RLVUEHIHSVVHGS-CQSZACIVSA-N -1 3 357.801 3.112 20 0 FGADHM CCO[C@@H](C)c1ncc(C(=O)[N-]c2ccc(-c3nc[nH]n3)cc2F)s1 ZINC000410787892 499679038 /nfs/dbraw/zinc/67/90/38/499679038.db2.gz VDWLPYRPSABKFC-VIFPVBQESA-N -1 3 361.402 3.417 20 0 FGADHM COC(=O)c1sc([N-]C(=O)c2ncoc2[C@H]2CCCO2)nc1C(C)C ZINC000411055153 499693634 /nfs/dbraw/zinc/69/36/34/499693634.db2.gz ISIYZCXSWGNYRS-SECBINFHSA-N -1 3 365.411 3.145 20 0 FGADHM O=C([N-]c1nccn1-c1ccccc1)C(=O)N[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000411134904 499701660 /nfs/dbraw/zinc/70/16/60/499701660.db2.gz KPTUAFYVDPYUMH-IXDOHACOSA-N -1 3 366.465 3.286 20 0 FGADHM CC1(C)CN(C(=O)C(=O)[N-]c2nccn2-c2ccccc2)CC(C)(C)C1 ZINC000411369912 499730767 /nfs/dbraw/zinc/73/07/67/499730767.db2.gz RPSGUQGIPOJXMS-UHFFFAOYSA-N -1 3 354.454 3.096 20 0 FGADHM COC(=O)C1(NCc2nc(=O)c3c(-c4ccco4)csc3[n-]2)CCCC1 ZINC000411411192 499736820 /nfs/dbraw/zinc/73/68/20/499736820.db2.gz XVMYBMVXQKNDNL-UHFFFAOYSA-N -1 3 373.434 3.232 20 0 FGADHM CC(C)C[C@@H]1CCCCN1C(=O)C(=O)[N-]c1nccn1-c1ccccc1 ZINC000411427258 499739121 /nfs/dbraw/zinc/73/91/21/499739121.db2.gz SZIDVAVXPCOYHH-KRWDZBQOSA-N -1 3 354.454 3.238 20 0 FGADHM CC(=O)c1ccc(C(=O)N[C@H](C)c2cccc(N3CCCC3=O)c2)cc1[O-] ZINC000411648229 499772659 /nfs/dbraw/zinc/77/26/59/499772659.db2.gz ZXZGAAJSDKXGRP-CYBMUJFWSA-N -1 3 366.417 3.213 20 0 FGADHM COC(C)(C)CS(=O)(=O)[N-]c1ccc(Cl)cc1Br ZINC000414374556 499782685 /nfs/dbraw/zinc/78/26/85/499782685.db2.gz OYHMTIPFZBAHRL-UHFFFAOYSA-N -1 3 356.669 3.269 20 0 FGADHM Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc(OCCN(C)C)c(F)c2)c1 ZINC000414390051 499785518 /nfs/dbraw/zinc/78/55/18/499785518.db2.gz VEICAYJGGKWTSI-UHFFFAOYSA-N -1 3 370.421 3.014 20 0 FGADHM COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1ccc(CN(C)C)cc1C ZINC000414454591 499794306 /nfs/dbraw/zinc/79/43/06/499794306.db2.gz DKQJTKCTVPZHJR-UHFFFAOYSA-N -1 3 362.495 3.483 20 0 FGADHM Cc1nccn1C[C@H](C)C[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000414468547 499796072 /nfs/dbraw/zinc/79/60/72/499796072.db2.gz KHZHWXLKPGZWEA-SNVBAGLBSA-N -1 3 362.282 3.113 20 0 FGADHM CCOc1cc(CN2CCCO[C@@H](CF)C2)cc(Br)c1[O-] ZINC000414473631 499796786 /nfs/dbraw/zinc/79/67/86/499796786.db2.gz BGIIBXBTSORDKB-LBPRGKRZSA-N -1 3 362.239 3.114 20 0 FGADHM CC(C)(C)[C@H]1CCC[C@H]1NC(=O)C(=O)[N-]c1nccn1-c1ccccc1 ZINC000411892775 499801248 /nfs/dbraw/zinc/80/12/48/499801248.db2.gz NQAOLABUZTYMJO-JKSUJKDBSA-N -1 3 354.454 3.142 20 0 FGADHM O=C([O-])C1CCC(N[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)CC1 ZINC000414644145 499816639 /nfs/dbraw/zinc/81/66/39/499816639.db2.gz ZGKJHMWJYBTLCF-MMWSSPAHSA-N -1 3 371.264 3.332 20 0 FGADHM COc1cc(F)c([C@@H](C)NC(=O)c2ccc(C(C)=O)c([O-])c2)cc1OC ZINC000412117520 499824985 /nfs/dbraw/zinc/82/49/85/499824985.db2.gz WIRQKUSPHUHORK-SNVBAGLBSA-N -1 3 361.369 3.242 20 0 FGADHM CC(=O)c1ccc(C(=O)N(C)[C@@H](C)c2ccc([S@](C)=O)cc2)cc1[O-] ZINC000412155340 499828629 /nfs/dbraw/zinc/82/86/29/499828629.db2.gz BXKZBYZLPAYULC-VDBVYFBLSA-N -1 3 359.447 3.165 20 0 FGADHM O=C(c1c[n-]c2c(Cl)cccc2c1=O)N1CCC(OCC2CC2)CC1 ZINC000412168864 499830163 /nfs/dbraw/zinc/83/01/63/499830163.db2.gz YXSQBHJAVOJBQQ-UHFFFAOYSA-N -1 3 360.841 3.213 20 0 FGADHM CC(=O)c1ccc(C(=O)N2CCO[C@H](c3ccc(F)c(C)c3)C2)cc1[O-] ZINC000412229442 499836409 /nfs/dbraw/zinc/83/64/09/499836409.db2.gz JQYDPHIZDRQJMV-IBGZPJMESA-N -1 3 357.381 3.256 20 0 FGADHM CC(=O)c1ccc(C(=O)N[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)cc1[O-] ZINC000412243785 499837680 /nfs/dbraw/zinc/83/76/80/499837680.db2.gz BSSKIIUTZBDVRJ-APWZRJJASA-N -1 3 357.381 3.384 20 0 FGADHM CC(=O)c1ccc(C(=O)N2CCC(CCCn3ccnc3)CC2)cc1[O-] ZINC000412250462 499838116 /nfs/dbraw/zinc/83/81/16/499838116.db2.gz UUFNRUVBWZRZAM-UHFFFAOYSA-N -1 3 355.438 3.124 20 0 FGADHM CC(=C([O-])Nc1ccn(-c2ccccc2C(F)(F)F)n1)C(F)(F)F ZINC000416119766 499950257 /nfs/dbraw/zinc/95/02/57/499950257.db2.gz YZXMYSQAFSBKNI-MRVPVSSYSA-N -1 3 351.250 3.450 20 0 FGADHM CCCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)C[C@H](CC)OC)c1 ZINC000421144452 499970307 /nfs/dbraw/zinc/97/03/07/499970307.db2.gz BRZQNXHASZOTDS-LBPRGKRZSA-N -1 3 362.879 3.245 20 0 FGADHM CO[C@H](Cc1ccccc1)CS(=O)(=O)[N-]c1cccc(OCCF)c1 ZINC000421146620 499971439 /nfs/dbraw/zinc/97/14/39/499971439.db2.gz DZSWJMPXEXSQDB-GOSISDBHSA-N -1 3 367.442 3.034 20 0 FGADHM CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1ccc2c(c1)C(=O)CC(C)(C)O2 ZINC000421166473 499979565 /nfs/dbraw/zinc/97/95/65/499979565.db2.gz PWUNXPNFZRRKAD-CQSZACIVSA-N -1 3 369.483 3.233 20 0 FGADHM CC[C@@H](CS(=O)(=O)[N-]c1ccc(-c2ncc3n2CCCC3)cc1)OC ZINC000421229958 499996824 /nfs/dbraw/zinc/99/68/24/499996824.db2.gz TZSRCZVEOSVSAM-KRWDZBQOSA-N -1 3 363.483 3.053 20 0 FGADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NC[C@H]1CC12CC2 ZINC000416263375 499999526 /nfs/dbraw/zinc/99/95/26/499999526.db2.gz YQFLMMSBSSNBCK-MJGOQNOKSA-N -1 3 364.445 3.170 20 0 FGADHM C[C@@H]1CN(C(=O)Cc2csc(NC(=O)c3cccc([O-])c3)n2)[C@@H](C)[C@H]1C ZINC000416317338 500013210 /nfs/dbraw/zinc/01/32/10/500013210.db2.gz CZMDVBVWXBQJHE-AGIUHOORSA-N -1 3 373.478 3.146 20 0 FGADHM Cc1nn(C)c(S(=O)(=O)[N-][C@@H](c2ncccc2C)C(C)C)c1C(F)F ZINC000416397194 500036520 /nfs/dbraw/zinc/03/65/20/500036520.db2.gz ICXOBAMRWYXKDI-CYBMUJFWSA-N -1 3 372.441 3.045 20 0 FGADHM O=S(=O)(CCOCC1CCCC1)[N-]C1(c2nccs2)CCCC1 ZINC000416402989 500037526 /nfs/dbraw/zinc/03/75/26/500037526.db2.gz YNVAGLLYOPHGQM-UHFFFAOYSA-N -1 3 358.529 3.039 20 0 FGADHM COC(=O)c1cnc([C@H](C)[N-]S(=O)(=O)c2ccc(C(C)C)cc2)s1 ZINC000425186643 500039474 /nfs/dbraw/zinc/03/94/74/500039474.db2.gz BDYGMLZZPUDTIR-NSHDSACASA-N -1 3 368.480 3.093 20 0 FGADHM CC(C)c1nc(S(=O)(=O)[N-]C[C@H]2CCC[C@H](C(F)(F)F)C2)cn1C ZINC000416417080 500040649 /nfs/dbraw/zinc/04/06/49/500040649.db2.gz MTQSGJPUZKRMRL-RYUDHWBXSA-N -1 3 367.437 3.191 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)CCc1ccc(Cl)cc1)c1nc(C(C)(C)C)no1 ZINC000425200691 500042429 /nfs/dbraw/zinc/04/24/29/500042429.db2.gz KELJRBBBKYUPOS-LLVKDONJSA-N -1 3 371.890 3.244 20 0 FGADHM COC(=O)c1c(Cl)cccc1S(=O)(=O)[N-]CCc1sccc1C ZINC000416449852 500045118 /nfs/dbraw/zinc/04/51/18/500045118.db2.gz KQQMKSRXEJHJBY-UHFFFAOYSA-N -1 3 373.883 3.018 20 0 FGADHM COC(=O)c1c(Cl)cccc1S(=O)(=O)[N-][C@H]1CCC12CCCC2 ZINC000416471230 500049458 /nfs/dbraw/zinc/04/94/58/500049458.db2.gz OZBANISZKGJWGY-ZDUSSCGKSA-N -1 3 357.859 3.128 20 0 FGADHM Cc1ncc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)o1 ZINC000416543027 500059934 /nfs/dbraw/zinc/05/99/34/500059934.db2.gz GBOVOBHCUKEBQT-UHFFFAOYSA-N -1 3 354.737 3.134 20 0 FGADHM COCC[C@H](C)C[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000416581940 500066168 /nfs/dbraw/zinc/06/61/68/500066168.db2.gz KXQYTINVUWNIIM-VIFPVBQESA-N -1 3 370.696 3.053 20 0 FGADHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cccc(Cl)c2Br)CS1 ZINC000416603835 500071008 /nfs/dbraw/zinc/07/10/08/500071008.db2.gz YKMFOBKCRFMKCI-SFYZADRCSA-N -1 3 370.721 3.275 20 0 FGADHM C[C@H]([N-]S(=O)(=O)Cc1ccc(Cl)cc1Cl)c1csnn1 ZINC000416625468 500075164 /nfs/dbraw/zinc/07/51/64/500075164.db2.gz BUNWHAFNPBINIV-ZETCQYMHSA-N -1 3 352.268 3.026 20 0 FGADHM O=C([O-])C1(CNCc2cc(C(F)(F)F)ccc2Br)CC1 ZINC000417611722 500124910 /nfs/dbraw/zinc/12/49/10/500124910.db2.gz ODDBPAHPGKVTJF-UHFFFAOYSA-N -1 3 352.150 3.422 20 0 FGADHM COc1cc(F)cc(CN[C@@H](CC(=O)[O-])c2ccc(OC)c(OC)c2)c1 ZINC000417553405 500106501 /nfs/dbraw/zinc/10/65/01/500106501.db2.gz HHYKRQKXRWPQRU-INIZCTEOSA-N -1 3 363.385 3.157 20 0 FGADHM COc1ccc([C@H](NCc2ccc(OC)c(OC)c2C)C(=O)[O-])cc1F ZINC000417574021 500113516 /nfs/dbraw/zinc/11/35/16/500113516.db2.gz QXNWYVXOLGUDEG-KRWDZBQOSA-N -1 3 363.385 3.075 20 0 FGADHM C[C@@H](CCC(=O)[O-])CNCc1ccc(F)cc1I ZINC000417575596 500114215 /nfs/dbraw/zinc/11/42/15/500114215.db2.gz YJFXVPHQCHADMC-VIFPVBQESA-N -1 3 365.186 3.021 20 0 FGADHM Cn1[n-]c(=NC(=O)NCc2ccc(C(C)(C)C)cc2)cc1OC(F)F ZINC000429638132 500115970 /nfs/dbraw/zinc/11/59/70/500115970.db2.gz YKMBZMMCWASASA-UHFFFAOYSA-N -1 3 352.385 3.063 20 0 FGADHM COC(=O)c1cc(CN[C@@]2(C(=O)[O-])C[C@@H](C(C)C)c3ccccc32)cn1C ZINC000417586651 500117786 /nfs/dbraw/zinc/11/77/86/500117786.db2.gz NDCAXGRAINXXGC-KKSFZXQISA-N -1 3 370.449 3.025 20 0 FGADHM COc1cc(OC)c(OC)cc1CN[C@H](CCC(=O)[O-])c1ccccc1 ZINC000417604887 500122731 /nfs/dbraw/zinc/12/27/31/500122731.db2.gz WCAUMMYEQMJNKN-MRXNPFEDSA-N -1 3 359.422 3.408 20 0 FGADHM CO[C@H](CNCc1cn(-c2ccc(C)cc2)nc1C(C)(C)C)CC(=O)[O-] ZINC000417633559 500130938 /nfs/dbraw/zinc/13/09/38/500130938.db2.gz HCTJQFSAAFBYLQ-KRWDZBQOSA-N -1 3 359.470 3.058 20 0 FGADHM O=C([O-])[C@@H](CNCc1csc(C2CC2)n1)Cc1cc(F)c(F)c(F)c1 ZINC000417634067 500131028 /nfs/dbraw/zinc/13/10/28/500131028.db2.gz HUHPWCRQFUDTSZ-LLVKDONJSA-N -1 3 370.396 3.471 20 0 FGADHM CO[C@H](CNCc1cn(C(C)(C)C)nc1-c1ccccc1Cl)C(=O)[O-] ZINC000417637088 500132576 /nfs/dbraw/zinc/13/25/76/500132576.db2.gz YPYLHISHJNQQGK-OAHLLOKOSA-N -1 3 365.861 3.148 20 0 FGADHM O=C([O-])[C@H](CNCc1cccc(OCC(F)(F)F)c1)Oc1ccccc1 ZINC000417641646 500134516 /nfs/dbraw/zinc/13/45/16/500134516.db2.gz RBBSILLIWOOCEC-INIZCTEOSA-N -1 3 369.339 3.250 20 0 FGADHM C=Cn1cc(CN[C@H](c2ccc(Br)cc2)[C@@H](C)C(=O)[O-])cn1 ZINC000417641788 500134962 /nfs/dbraw/zinc/13/49/62/500134962.db2.gz RWPMDMUKWMKVKX-ABAIWWIYSA-N -1 3 364.243 3.298 20 0 FGADHM CC(C)(C)OC(=O)C[C@H](NCc1c(Cl)oc2ccccc21)C(=O)[O-] ZINC000417667309 500143270 /nfs/dbraw/zinc/14/32/70/500143270.db2.gz SVSSDZUDVAVECL-LBPRGKRZSA-N -1 3 353.802 3.361 20 0 FGADHM CC(=O)N(c1ccc(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)cc1)[C@@H]1C[C@H]1C ZINC000576528605 506179521 /nfs/dbraw/zinc/17/95/21/506179521.db2.gz AGRKHLCCLRJIRH-PIGZYNQJSA-N -1 3 366.421 3.073 20 0 FGADHM C[C@H]1CC[C@H](C(=O)OC(C)(C)C)CN1C(=O)Cc1ccc([O-])c(F)c1 ZINC000421920974 500176237 /nfs/dbraw/zinc/17/62/37/500176237.db2.gz KLTLCZPKRVUYFG-JSGCOSHPSA-N -1 3 351.418 3.043 20 0 FGADHM O=S(=O)([N-][C@@H]1C[C@H]1C1CC1)c1cc(Br)ccc1Cl ZINC000430016175 500181210 /nfs/dbraw/zinc/18/12/10/500181210.db2.gz DJZPJKUYYSEXAS-GXSJLCMTSA-N -1 3 350.665 3.179 20 0 FGADHM C[C@@H]1C[C@@H](CO)CN(C(=O)c2cc(OCc3ccccc3)ccc2[O-])C1 ZINC000421980425 500189514 /nfs/dbraw/zinc/18/95/14/500189514.db2.gz PYCOVJJEMIITFW-NVXWUHKLSA-N -1 3 355.434 3.062 20 0 FGADHM COC(=O)[C@@H]1CCc2sc(NC(=O)c3cc([O-])ccc3Cl)nc2C1 ZINC000421983956 500190555 /nfs/dbraw/zinc/19/05/55/500190555.db2.gz ZCEXKVQDCBAXBV-MRVPVSSYSA-N -1 3 366.826 3.032 20 0 FGADHM O=C(NCCCC1(O)CCC1)c1cc(OCc2ccccc2)ccc1[O-] ZINC000421995531 500192737 /nfs/dbraw/zinc/19/27/37/500192737.db2.gz RSGYSRDTWQLHJW-UHFFFAOYSA-N -1 3 355.434 3.396 20 0 FGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)c1cc(F)c(F)c(F)c1 ZINC000430144926 500199757 /nfs/dbraw/zinc/19/97/57/500199757.db2.gz BDZCXAKPHJZXKM-UHFFFAOYSA-N -1 3 370.128 3.188 20 0 FGADHM COC(=O)[C@@H](CNC(=O)C1(CC(C)C)CCC1)Cc1ccc([O-])c(F)c1 ZINC000422034675 500203001 /nfs/dbraw/zinc/20/30/01/500203001.db2.gz FISWYCQUUVRMMI-OAHLLOKOSA-N -1 3 365.445 3.196 20 0 FGADHM CC[C@@H](C)CNC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000422206454 500233969 /nfs/dbraw/zinc/23/39/69/500233969.db2.gz LEUIDIXGSQLNOR-GFCCVEGCSA-N -1 3 367.877 3.452 20 0 FGADHM CO[C@@H]1CCN(C(=O)c2c[n-]c3ccc(Oc4ccccc4)cc3c2=O)C1 ZINC000430591487 500259881 /nfs/dbraw/zinc/25/98/81/500259881.db2.gz KEVJWCLAGJSQPN-MRXNPFEDSA-N -1 3 364.401 3.181 20 0 FGADHM C[C@@H](CC(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1c[nH]c2ccccc21 ZINC000426380917 500266776 /nfs/dbraw/zinc/26/67/76/500266776.db2.gz MPWZCYCWVOWSDM-ZDUSSCGKSA-N -1 3 360.421 3.158 20 0 FGADHM C[C@@H](CC(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1c[nH]c2ccccc21 ZINC000426380917 500266777 /nfs/dbraw/zinc/26/67/77/500266777.db2.gz MPWZCYCWVOWSDM-ZDUSSCGKSA-N -1 3 360.421 3.158 20 0 FGADHM CCN(C(=O)c1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1)c1cccc(Cl)c1 ZINC000426468557 500276473 /nfs/dbraw/zinc/27/64/73/500276473.db2.gz KCYPEPAOWFUAIP-LJQANCHMSA-N -1 3 371.824 3.061 20 0 FGADHM COc1ccc([O-])c(C(=O)NCCc2cnc(SC3CCCC3)nc2)c1 ZINC000582321586 506186705 /nfs/dbraw/zinc/18/67/05/506186705.db2.gz VPIMZKIIZHTXFG-UHFFFAOYSA-N -1 3 373.478 3.198 20 0 FGADHM Cc1cccc([C@H]2CCCN2C(=O)CNC(=O)c2ccc([O-])cc2)c1C ZINC000573403763 506187647 /nfs/dbraw/zinc/18/76/47/506187647.db2.gz CKZJBKRYPBJQFG-LJQANCHMSA-N -1 3 352.434 3.103 20 0 FGADHM O=C([O-])[C@@H](Cc1ccc(O)cc1)NCc1sccc1Br ZINC000426645566 500299644 /nfs/dbraw/zinc/29/96/44/500299644.db2.gz HFDVGNGFAXGNJT-GFCCVEGCSA-N -1 3 356.241 3.002 20 0 FGADHM O=C([O-])Cc1ccccc1CNCc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000426691563 500307026 /nfs/dbraw/zinc/30/70/26/500307026.db2.gz JBMFUKLHJMPFHM-FQEVSTJZSA-N -1 3 355.434 3.161 20 0 FGADHM COc1cccc(CSC[C@H](NCc2ccc(F)c(F)c2)C(=O)[O-])c1 ZINC000426714732 500309853 /nfs/dbraw/zinc/30/98/53/500309853.db2.gz FALHHRWGHSVXFX-KRWDZBQOSA-N -1 3 367.417 3.450 20 0 FGADHM Cc1cnn(C[C@H](NCc2ccc(-c3ccccc3F)s2)C(=O)[O-])c1 ZINC000426723611 500311010 /nfs/dbraw/zinc/31/10/10/500311010.db2.gz MQYMNKJOXNXZHJ-INIZCTEOSA-N -1 3 359.426 3.302 20 0 FGADHM COc1ccc(CN(CCO)[C@H]2CC[C@@H](C)C2)c(Br)c1[O-] ZINC000582332369 506188653 /nfs/dbraw/zinc/18/86/53/506188653.db2.gz IWBJCOFCYFICTI-YPMHNXCESA-N -1 3 358.276 3.146 20 0 FGADHM O=C([O-])[C@H](CC1CCCC1)NCc1cn(-c2ccc(F)cc2Cl)nn1 ZINC000426728643 500312112 /nfs/dbraw/zinc/31/21/12/500312112.db2.gz WLANKGHNZIQUMU-HNNXBMFYSA-N -1 3 366.824 3.183 20 0 FGADHM Cc1ccc(CN[C@@H](CSCc2cccc3cccnc32)C(=O)[O-])nc1 ZINC000426738319 500313567 /nfs/dbraw/zinc/31/35/67/500313567.db2.gz VDKJIONNSNTCML-SFHVURJKSA-N -1 3 367.474 3.414 20 0 FGADHM O=C([O-])[C@H](Cc1cccc(Cl)c1)NCc1ccn(-c2ccccc2)n1 ZINC000426746169 500314735 /nfs/dbraw/zinc/31/47/35/500314735.db2.gz IZMNUPMFLBJHKT-SFHVURJKSA-N -1 3 355.825 3.311 20 0 FGADHM O=C([O-])[C@@H](Cc1cccc(Cl)c1)NCc1ccn(-c2ccccc2)n1 ZINC000426746168 500314786 /nfs/dbraw/zinc/31/47/86/500314786.db2.gz IZMNUPMFLBJHKT-GOSISDBHSA-N -1 3 355.825 3.311 20 0 FGADHM COc1nc2ccc([N-]S(=O)(=O)c3ccc(OC)cc3C)cc2s1 ZINC000430976747 500316645 /nfs/dbraw/zinc/31/66/45/500316645.db2.gz HUJBCJCOPWUFFF-UHFFFAOYSA-N -1 3 364.448 3.423 20 0 FGADHM COc1cc(CN[C@@H](C(=O)[O-])c2cccc(F)c2)ccc1OC(F)F ZINC000426763765 500317007 /nfs/dbraw/zinc/31/70/07/500317007.db2.gz UBVPPWABXUHGIL-OAHLLOKOSA-N -1 3 355.312 3.351 20 0 FGADHM COc1cc2c(c(CN[C@H](Cc3cc(C)cc(C)c3)C(=O)[O-])c1)O[C@@H](C)C2 ZINC000426775977 500318726 /nfs/dbraw/zinc/31/87/26/500318726.db2.gz DKMHIYASFKSSDJ-MGPUTAFESA-N -1 3 369.461 3.421 20 0 FGADHM CCCSC[C@@H](NCc1ccc(Br)cc1F)C(=O)[O-] ZINC000426776357 500319105 /nfs/dbraw/zinc/31/91/05/500319105.db2.gz YELKCVWENYMZIE-GFCCVEGCSA-N -1 3 350.253 3.274 20 0 FGADHM O=C([O-])[C@H](NCc1ccc(OC[C@H]2CCCO2)cc1)c1cccc(F)c1 ZINC000426805607 500322473 /nfs/dbraw/zinc/32/24/73/500322473.db2.gz CZXQWOOYORKAOR-RTBURBONSA-N -1 3 359.397 3.299 20 0 FGADHM C[C@@H](N=c1[n-]c(C(F)(F)F)c(Br)s1)C1=CCN(C)CC1 ZINC000418902525 500329216 /nfs/dbraw/zinc/32/92/16/500329216.db2.gz AJDQHULKTSVOFM-SSDOTTSWSA-N -1 3 370.238 3.409 20 0 FGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(Oc2cc(C)[nH]n2)cc1 ZINC000426908244 500335421 /nfs/dbraw/zinc/33/54/21/500335421.db2.gz WVGOZWSUNOQSKX-UHFFFAOYSA-N -1 3 371.422 3.289 20 0 FGADHM CCCC(C)(C)CC(=O)Nc1cc(N2CCCS2(=O)=O)ccc1[O-] ZINC000426964124 500339707 /nfs/dbraw/zinc/33/97/07/500339707.db2.gz OFOSIAYYJSINNI-UHFFFAOYSA-N -1 3 354.472 3.087 20 0 FGADHM CCOC(=O)c1ccc(NC(=O)[C@@H]2CCCc3sc(C)nc32)c([O-])c1 ZINC000426992209 500342859 /nfs/dbraw/zinc/34/28/59/500342859.db2.gz QMPKCGBPKNYJIB-GFCCVEGCSA-N -1 3 360.435 3.392 20 0 FGADHM Cc1nc(-c2ccccc2)c(NC(=O)CNC(=O)c2cccc([O-])c2)s1 ZINC000427110763 500354864 /nfs/dbraw/zinc/35/48/64/500354864.db2.gz WMCSPYCUEWNTJF-UHFFFAOYSA-N -1 3 367.430 3.193 20 0 FGADHM COC(=O)c1cc(C(=O)Nc2ccc(C(=O)N3CCCC[C@@H]3C)cc2)c[n-]1 ZINC000431336338 500365281 /nfs/dbraw/zinc/36/52/81/500365281.db2.gz CUKUQRIXRHLMBK-ZDUSSCGKSA-N -1 3 369.421 3.068 20 0 FGADHM Cc1nn2cc(S(=O)(=O)[N-]CC(C)(C)C(C)(C)C)cnc2c1Cl ZINC000431584169 500394957 /nfs/dbraw/zinc/39/49/57/500394957.db2.gz ATOCHDMPOPFYNK-UHFFFAOYSA-N -1 3 358.895 3.042 20 0 FGADHM Cn1cccc1[C@@H]1CCCN1C(=O)Cc1ccc(Br)cc1[O-] ZINC000431677739 500407137 /nfs/dbraw/zinc/40/71/37/500407137.db2.gz FJUMZVPTODQYMG-HNNXBMFYSA-N -1 3 363.255 3.399 20 0 FGADHM Cc1o[n-]c(=NC(=O)c2nn(-c3ccccc3F)c3c2CCCC3)c1C ZINC000420090215 500419590 /nfs/dbraw/zinc/41/95/90/500419590.db2.gz LCAMVBDCIQRBMV-UHFFFAOYSA-N -1 3 354.385 3.169 20 0 FGADHM COC(=O)c1cc(S(=O)(=O)[N-][C@H](c2ccccc2C)C2CC2)oc1C ZINC000431809570 500428066 /nfs/dbraw/zinc/42/80/66/500428066.db2.gz DZVCYEXBIYBRFX-KRWDZBQOSA-N -1 3 363.435 3.113 20 0 FGADHM C[C@H](Cc1ccccc1C(F)(F)F)NC(=O)c1cc(F)cc2nn[n-]c21 ZINC000431810525 500428086 /nfs/dbraw/zinc/42/80/86/500428086.db2.gz OZJWWPPWHDNPNW-SECBINFHSA-N -1 3 366.318 3.477 20 0 FGADHM C[C@H](Cc1ccccc1C(F)(F)F)NC(=O)c1cc(F)cc2[n-]nnc21 ZINC000431810525 500428088 /nfs/dbraw/zinc/42/80/88/500428088.db2.gz OZJWWPPWHDNPNW-SECBINFHSA-N -1 3 366.318 3.477 20 0 FGADHM C[C@H](Cc1ccccc1C(F)(F)F)NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000431810525 500428089 /nfs/dbraw/zinc/42/80/89/500428089.db2.gz OZJWWPPWHDNPNW-SECBINFHSA-N -1 3 366.318 3.477 20 0 FGADHM COC(=O)c1ccc(C(=O)Nc2cccc(NC(=O)c3ccccc3)c2)[n-]1 ZINC000431833907 500430903 /nfs/dbraw/zinc/43/09/03/500430903.db2.gz UHANMIAHDFVBNJ-UHFFFAOYSA-N -1 3 363.373 3.306 20 0 FGADHM CC(C)[C@@H]1CCc2ccccc2[C@H]1NC(=O)CNC(=O)c1cccc([O-])c1 ZINC000427813997 500436233 /nfs/dbraw/zinc/43/62/33/500436233.db2.gz WNOWFTRLWXFMTA-RXVVDRJESA-N -1 3 366.461 3.198 20 0 FGADHM Cc1ccc(SC2(C[N-]S(=O)(=O)c3cn(C)cn3)CCCC2)cc1 ZINC000431890183 500439234 /nfs/dbraw/zinc/43/92/34/500439234.db2.gz QBFQTEADNSQCCA-UHFFFAOYSA-N -1 3 365.524 3.112 20 0 FGADHM COC(=O)c1ccc(C(=O)Nc2ccc(-c3ncc4n3CCCC4)cc2)[n-]1 ZINC000432000042 500453730 /nfs/dbraw/zinc/45/37/30/500453730.db2.gz LUNLBPKUJBCSKG-UHFFFAOYSA-N -1 3 364.405 3.253 20 0 FGADHM COC(=O)c1cc(S(=O)(=O)[N-][C@@H](c2ccc(C)cc2)C2CC2)oc1C ZINC000432027764 500457301 /nfs/dbraw/zinc/45/73/01/500457301.db2.gz ZDWFFZVSNWYFJN-KRWDZBQOSA-N -1 3 363.435 3.113 20 0 FGADHM CC1(C)C[C@@H]([N-]S(=O)(=O)c2sccc2F)c2cc(N)ccc2O1 ZINC000420417514 500457571 /nfs/dbraw/zinc/45/75/71/500457571.db2.gz FCOHGVMTEPOUIU-GFCCVEGCSA-N -1 3 356.444 3.050 20 0 FGADHM CCc1ccccc1[C@H](N)C[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000420455005 500459417 /nfs/dbraw/zinc/45/94/17/500459417.db2.gz FRLZCDUOJCWXER-OAHLLOKOSA-N -1 3 356.850 3.020 20 0 FGADHM CC(C)CCCCc1nc(-c2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)no1 ZINC000420473046 500461070 /nfs/dbraw/zinc/46/10/70/500461070.db2.gz FLMAYKRNYASLGC-IBGZPJMESA-N -1 3 356.426 3.160 20 0 FGADHM CC(C)(C)[C@@H](COc1ccccc1F)NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000582369917 506197511 /nfs/dbraw/zinc/19/75/11/506197511.db2.gz ZDMVPVSTAMPCFN-MRXNPFEDSA-N -1 3 373.428 3.422 20 0 FGADHM CC(C)C[C@H](CNC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1)C(=O)[O-] ZINC000424241227 500473911 /nfs/dbraw/zinc/47/39/11/500473911.db2.gz GJCAFHQMAORFRY-FXAWDEMLSA-N -1 3 374.525 3.193 20 0 FGADHM CN(Cc1c(F)cccc1Cl)C(=O)CN1CCCC[C@@H]1CCC(=O)[O-] ZINC000424261474 500477631 /nfs/dbraw/zinc/47/76/31/500477631.db2.gz PFOIEPFVWJAYQF-CYBMUJFWSA-N -1 3 370.852 3.157 20 0 FGADHM Cc1ncc(C[N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)F)s1 ZINC000420663843 500485595 /nfs/dbraw/zinc/48/55/95/500485595.db2.gz PKDLTJVHHBUCIZ-UHFFFAOYSA-N -1 3 368.814 3.185 20 0 FGADHM C[C@@H]1C[C@H](C[N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)F)[C@@H](C)O1 ZINC000420704778 500490195 /nfs/dbraw/zinc/49/01/95/500490195.db2.gz WTFOOGRIODQUEY-OPRDCNLKSA-N -1 3 369.817 3.033 20 0 FGADHM COCC[C@H]([N-]S(=O)(=O)c1cc(F)ccc1OC(F)F)C(C)(C)C ZINC000420712414 500490805 /nfs/dbraw/zinc/49/08/05/500490805.db2.gz SJHRPVXLGUZZSY-ZDUSSCGKSA-N -1 3 369.405 3.157 20 0 FGADHM C[C@H](CN=c1[n-]c(C(N)=O)cs1)Sc1ccc(Br)cc1 ZINC000432323869 500498902 /nfs/dbraw/zinc/49/89/02/500498902.db2.gz DMSYBVSSVHSQBY-MRVPVSSYSA-N -1 3 372.313 3.019 20 0 FGADHM NC(=O)c1csc(=NCCc2csc(-c3ccc(Cl)cc3)n2)[n-]1 ZINC000432324436 500499155 /nfs/dbraw/zinc/49/91/55/500499155.db2.gz IHKCPIWXHUVINT-UHFFFAOYSA-N -1 3 364.883 3.095 20 0 FGADHM CCN(Cc1ccc(CN(C)C)cc1)C(=O)NC[C@H](CC(C)C)C(=O)[O-] ZINC000424426187 500502486 /nfs/dbraw/zinc/50/24/86/500502486.db2.gz SCBFEYXDTLOOAA-SFHVURJKSA-N -1 3 363.502 3.027 20 0 FGADHM CCOC(=O)c1c(C2CC2)csc1[N-]C(=O)c1ccc(C(=O)OC)o1 ZINC000432349743 500503200 /nfs/dbraw/zinc/50/32/00/500503200.db2.gz ATOCSASOYDKNFB-UHFFFAOYSA-N -1 3 363.391 3.434 20 0 FGADHM CCCN(CCN1CCCCCC1)C(=O)NCC(CC)(CC)C(=O)[O-] ZINC000424430698 500503653 /nfs/dbraw/zinc/50/36/53/500503653.db2.gz NFQJIUYHXTZJOA-UHFFFAOYSA-N -1 3 355.523 3.175 20 0 FGADHM O=S(=O)([N-]CCC1Cc2ccccc2C1)c1cnccc1C(F)(F)F ZINC000428419336 500507528 /nfs/dbraw/zinc/50/75/28/500507528.db2.gz MNQVWEWIKJWFNH-UHFFFAOYSA-N -1 3 370.396 3.184 20 0 FGADHM Cc1noc(C[C@@H](NC(=O)NCc2ccc([O-])c(F)c2)c2ccccc2)n1 ZINC000428614942 500533119 /nfs/dbraw/zinc/53/31/19/500533119.db2.gz DBPALGGZGMQSIT-MRXNPFEDSA-N -1 3 370.384 3.006 20 0 FGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(NC(=O)[C@@H]2CCC[C@@H](F)C2)ccc1F ZINC000424691785 500543166 /nfs/dbraw/zinc/54/31/66/500543166.db2.gz VTBLHLPJQSWHRP-VXGBXAGGSA-N -1 3 374.453 3.369 20 0 FGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(NC(=O)[C@H]2CCC[C@@H](F)C2)ccc1F ZINC000424691780 500543447 /nfs/dbraw/zinc/54/34/47/500543447.db2.gz VTBLHLPJQSWHRP-NWDGAFQWSA-N -1 3 374.453 3.369 20 0 FGADHM O=C(N[C@@H]1CCC[C@@H]1OCc1ccccc1)c1cc(=O)c2ccccc2[n-]1 ZINC000428724858 500549188 /nfs/dbraw/zinc/54/91/88/500549188.db2.gz NNCBLVQZPCYADF-NQIIRXRSSA-N -1 3 362.429 3.396 20 0 FGADHM CCc1cccc(NC(=O)NC[C@@H](Cc2ccc([O-])c(F)c2)C(=O)OC)c1 ZINC000421043752 500563221 /nfs/dbraw/zinc/56/32/21/500563221.db2.gz QWIOOERLWKJNIM-OAHLLOKOSA-N -1 3 374.412 3.247 20 0 FGADHM COC(=O)[C@@H](NC(=O)c1ccc([O-])c(C)c1)c1ccc(Cl)c(F)c1 ZINC000436929182 500572175 /nfs/dbraw/zinc/57/21/75/500572175.db2.gz DKQUQEPSQWKKOY-HNNXBMFYSA-N -1 3 351.761 3.137 20 0 FGADHM C[C@H]1CC(C(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)C[C@H](C)C1 ZINC000436933543 500573050 /nfs/dbraw/zinc/57/30/50/500573050.db2.gz QHZBIQOMOKDXLT-HUUCEWRRSA-N -1 3 358.482 3.185 20 0 FGADHM COc1cc(OC)cc(S(=O)(=O)[N-]c2cc(Cl)cc(F)c2F)c1 ZINC000442229868 500573064 /nfs/dbraw/zinc/57/30/64/500573064.db2.gz OHNPIVQMGHVCBJ-UHFFFAOYSA-N -1 3 363.769 3.436 20 0 FGADHM C[C@@H]1CC(C(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)C[C@@H](C)C1 ZINC000436933541 500573597 /nfs/dbraw/zinc/57/35/97/500573597.db2.gz QHZBIQOMOKDXLT-GJZGRUSLSA-N -1 3 358.482 3.185 20 0 FGADHM O=c1cc(C=Cc2ccc([O-])c(Br)c2)nc(-c2ccncc2)[nH]1 ZINC000436935161 500574474 /nfs/dbraw/zinc/57/44/74/500574474.db2.gz VPTZEYNVIRKQNH-HNQUOIGGSA-N -1 3 370.206 3.470 20 0 FGADHM COc1cc(-c2noc([C@@H](C)n3ccc4ccccc4c3=O)n2)ccc1[O-] ZINC000436950866 500577577 /nfs/dbraw/zinc/57/75/77/500577577.db2.gz WSNUZZGHULWWMG-GFCCVEGCSA-N -1 3 363.373 3.375 20 0 FGADHM O=C(c1ccc2c(c1[O-])CCCC2)N1CCO[C@@H](Cc2ccccc2)C1 ZINC000436978130 500585069 /nfs/dbraw/zinc/58/50/69/500585069.db2.gz HIQPRWKEKVJKRP-SFHVURJKSA-N -1 3 351.446 3.355 20 0 FGADHM CCCc1c(NC(=O)c2cc(OC)ccc2[O-])cnn1-c1cc(C)ccn1 ZINC000436983295 500586314 /nfs/dbraw/zinc/58/63/14/500586314.db2.gz WKCFHKVLZDLLQD-UHFFFAOYSA-N -1 3 366.421 3.495 20 0 FGADHM CCCCOc1ccc(C(=O)NCCc2c[nH]c3ncccc23)c([O-])c1 ZINC000436988900 500587896 /nfs/dbraw/zinc/58/78/96/500587896.db2.gz QDYPAWBBXBUOKM-UHFFFAOYSA-N -1 3 353.422 3.420 20 0 FGADHM C[C@@H]1C[C@@H](CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)CCO1 ZINC000447302708 500588007 /nfs/dbraw/zinc/58/80/07/500588007.db2.gz BWAPEEZCGMPJSE-OLZOCXBDSA-N -1 3 356.451 3.428 20 0 FGADHM O=C(NC1CC1)c1cccc(NC(=O)c2ccc3c(c2[O-])CCCC3)c1 ZINC000436996455 500589850 /nfs/dbraw/zinc/58/98/50/500589850.db2.gz GUOOAYHYRDHLIU-UHFFFAOYSA-N -1 3 350.418 3.416 20 0 FGADHM Cc1cnc([C@H]([N-]S(=O)(=O)c2cnc3ccsc3c2)C2CC2)s1 ZINC000437245682 500619995 /nfs/dbraw/zinc/61/99/95/500619995.db2.gz LAQWVJFYJKKLHD-CQSZACIVSA-N -1 3 365.505 3.491 20 0 FGADHM CCOc1cccc(CC[N-]S(=O)(=O)c2cnccc2C(F)(F)F)c1 ZINC000442762065 500621703 /nfs/dbraw/zinc/62/17/03/500621703.db2.gz ZTFZKJYFDCBCMS-UHFFFAOYSA-N -1 3 374.384 3.020 20 0 FGADHM Cc1ccc2c(c1C)OC[C@H]2[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000442769760 500623793 /nfs/dbraw/zinc/62/37/93/500623793.db2.gz NYOWKVFOZVRMJY-CYBMUJFWSA-N -1 3 372.368 3.129 20 0 FGADHM Cc1ccc2c(c1C)OC[C@@H]2[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000442769761 500623814 /nfs/dbraw/zinc/62/38/14/500623814.db2.gz NYOWKVFOZVRMJY-ZDUSSCGKSA-N -1 3 372.368 3.129 20 0 FGADHM COc1cc(C(=O)NC[C@H](C)N2CCc3ccccc3C2)cc(Cl)c1[O-] ZINC000442853449 500634990 /nfs/dbraw/zinc/63/49/90/500634990.db2.gz HHDSVPFEKMWKIY-ZDUSSCGKSA-N -1 3 374.868 3.231 20 0 FGADHM CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1nc(C)ccc1[O-] ZINC000447629220 500636574 /nfs/dbraw/zinc/63/65/74/500636574.db2.gz KCDISHIKFHAGIL-DYVFJYSZSA-N -1 3 367.449 3.034 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N[C@H]2C[C@H](c3cccc(F)c3)C2)c([O-])c1 ZINC000437461722 500647000 /nfs/dbraw/zinc/64/70/00/500647000.db2.gz RLQBTOIKJGTSMJ-JCNLHEQBSA-N -1 3 370.424 3.022 20 0 FGADHM Cc1nn(C)c(C)c1CCC(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000442935780 500649779 /nfs/dbraw/zinc/64/97/79/500649779.db2.gz VHECILSFJZPRHJ-UHFFFAOYSA-N -1 3 357.332 3.212 20 0 FGADHM COc1cc(C(=O)Nc2cccc(OCCN(C)C)c2)cc(Cl)c1[O-] ZINC000442944756 500651415 /nfs/dbraw/zinc/65/14/15/500651415.db2.gz MRFWSRHLONVYOC-UHFFFAOYSA-N -1 3 364.829 3.247 20 0 FGADHM COc1cc(C(=O)NC2(c3ccc(Cl)cc3)CCOCC2)ccc1[O-] ZINC000442949257 500651894 /nfs/dbraw/zinc/65/18/94/500651894.db2.gz WGOHNUUDTFRGHF-UHFFFAOYSA-N -1 3 361.825 3.490 20 0 FGADHM COc1cc(C(=O)N2CCN([C@H](C)c3cccc(F)c3)CC2)ccc1[O-] ZINC000442958751 500653487 /nfs/dbraw/zinc/65/34/87/500653487.db2.gz SHLYDMWARUEVHV-CQSZACIVSA-N -1 3 358.413 3.059 20 0 FGADHM CCc1[n-][nH]c(=NC(=O)c2cn(-c3ccc(Cl)c(Cl)c3)cn2)c1C ZINC000437537062 500657468 /nfs/dbraw/zinc/65/74/68/500657468.db2.gz NULDQRFUEGCZIQ-UHFFFAOYSA-N -1 3 364.236 3.447 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)c1ccc(C)nc1)c1nc(C(F)(F)F)cs1 ZINC000447759569 500657894 /nfs/dbraw/zinc/65/78/94/500657894.db2.gz SZPFQTDIXOTHTD-JTQLQIEISA-N -1 3 365.402 3.295 20 0 FGADHM CCCc1n[n-]c(=NC(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)s1 ZINC000437565643 500661362 /nfs/dbraw/zinc/66/13/62/500661362.db2.gz GGSKWANDPALJDR-HNNXBMFYSA-N -1 3 373.526 3.041 20 0 FGADHM Cc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)CC(C)(C)C)n2)cc1F ZINC000443022207 500664647 /nfs/dbraw/zinc/66/46/47/500664647.db2.gz HVQCOVUBMBPTMZ-LLVKDONJSA-N -1 3 355.435 3.211 20 0 FGADHM COc1cc(C(=O)NCCc2ccccc2OC(F)(F)F)ccc1[O-] ZINC000443077379 500676243 /nfs/dbraw/zinc/67/62/43/500676243.db2.gz UMRCBUQHSWGTAZ-UHFFFAOYSA-N -1 3 355.312 3.272 20 0 FGADHM O=C(Nc1cccc(-c2n[nH]c(C3CC3)n2)c1)c1cc(F)cc2[n-]nnc21 ZINC000433343619 500676602 /nfs/dbraw/zinc/67/66/02/500676602.db2.gz ONENWWQIAHFFMZ-UHFFFAOYSA-N -1 3 363.356 3.012 20 0 FGADHM O=C(Nc1cccc(-c2n[nH]c(C3CC3)n2)c1)c1cc(F)cc2nn[n-]c21 ZINC000433343619 500676604 /nfs/dbraw/zinc/67/66/04/500676604.db2.gz ONENWWQIAHFFMZ-UHFFFAOYSA-N -1 3 363.356 3.012 20 0 FGADHM O=C(Nc1cccc(-c2n[nH]c(C3CC3)n2)c1)c1cc(F)cc2n[n-]nc21 ZINC000433343619 500676607 /nfs/dbraw/zinc/67/66/07/500676607.db2.gz ONENWWQIAHFFMZ-UHFFFAOYSA-N -1 3 363.356 3.012 20 0 FGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H](c1ccccc1)C1CC1 ZINC000443096320 500678739 /nfs/dbraw/zinc/67/87/39/500678739.db2.gz VHDQLYKPHVIBKK-QGZVFWFLSA-N -1 3 363.410 3.042 20 0 FGADHM COc1cc(C(=O)N2C[C@H](C)N(Cc3ccccc3)C[C@@H]2C)ccc1[O-] ZINC000443139982 500686591 /nfs/dbraw/zinc/68/65/91/500686591.db2.gz XHQZEBRXTZKBIR-HOTGVXAUSA-N -1 3 354.450 3.136 20 0 FGADHM Cc1ncc(S(=O)(=O)[N-]Cc2ccc(-c3ccco3)cc2F)s1 ZINC000447940741 500693634 /nfs/dbraw/zinc/69/36/34/500693634.db2.gz PCMKFXAVAHFEQG-UHFFFAOYSA-N -1 3 352.412 3.329 20 0 FGADHM O=S(=O)([N-]C[C@@H]1CCCN(c2ccccc2)C1)c1ccc(F)c(F)c1 ZINC000433440096 500693890 /nfs/dbraw/zinc/69/38/90/500693890.db2.gz PYISUADOCLFFJC-AWEZNQCLSA-N -1 3 366.433 3.160 20 0 FGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H]2CCC[C@H](O)C2)c1Cl ZINC000443229931 500699011 /nfs/dbraw/zinc/69/90/11/500699011.db2.gz CLBHUPMEPAVDOB-QWRGUYRKSA-N -1 3 352.283 3.131 20 0 FGADHM O=S(=O)([N-][C@H](CCO)c1ccccc1)c1cc(Cl)cc(Cl)c1 ZINC000443235790 500699738 /nfs/dbraw/zinc/69/97/38/500699738.db2.gz VVPCCUOGQYIUIM-OAHLLOKOSA-N -1 3 360.262 3.395 20 0 FGADHM O=S(=O)([N-][C@H](CO)c1cccc(F)c1)c1cc(Cl)ccc1Cl ZINC000443261283 500701725 /nfs/dbraw/zinc/70/17/25/500701725.db2.gz GVMFRIAKMVTRRY-CYBMUJFWSA-N -1 3 364.225 3.144 20 0 FGADHM O=S(=O)([N-][C@H](CO)c1ccc(F)cc1)c1ccc(Cl)c(Cl)c1 ZINC000443281490 500704062 /nfs/dbraw/zinc/70/40/62/500704062.db2.gz KPUDRDMQRRNFAT-CQSZACIVSA-N -1 3 364.225 3.144 20 0 FGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H](O)CC(C)(C)C)c1Cl ZINC000443283222 500704222 /nfs/dbraw/zinc/70/42/22/500704222.db2.gz OTOABFHCPXBFGW-JTQLQIEISA-N -1 3 354.299 3.377 20 0 FGADHM Cc1cc(NC(=O)C(=O)NCc2ccc([O-])c(F)c2)cc(C)c1Cl ZINC000443301545 500706367 /nfs/dbraw/zinc/70/63/67/500706367.db2.gz ASFBLIXOOSFSPJ-UHFFFAOYSA-N -1 3 350.777 3.056 20 0 FGADHM CC[C@@H](C)[C@](C)(O)C[N-]S(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000443307284 500707854 /nfs/dbraw/zinc/70/78/54/500707854.db2.gz ODWUIWATKPTYJA-QMTHXVAHSA-N -1 3 354.299 3.210 20 0 FGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H](CO)c2ccccc2)c1Cl ZINC000443354998 500714316 /nfs/dbraw/zinc/71/43/16/500714316.db2.gz XMERDYFEJWPSPT-ZDUSSCGKSA-N -1 3 374.289 3.356 20 0 FGADHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)[C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000570650314 506210304 /nfs/dbraw/zinc/21/03/04/506210304.db2.gz YVWCYZCKTDZCNS-GZBFAFLISA-N -1 3 365.355 3.444 20 0 FGADHM Cc1nc(C)c(CC(=O)NC[C@@H](C)c2ccc(C(F)(F)F)cc2)c(=O)[n-]1 ZINC000443403011 500719229 /nfs/dbraw/zinc/71/92/29/500719229.db2.gz LRSCTRNPODDFNJ-SNVBAGLBSA-N -1 3 367.371 3.280 20 0 FGADHM O=c1[n-]c(=O)n(CCOc2ccc(Oc3ccccc3)cc2)cc1Cl ZINC000443408223 500720197 /nfs/dbraw/zinc/72/01/97/500720197.db2.gz SHZNUEHZXOFFBX-UHFFFAOYSA-N -1 3 358.781 3.474 20 0 FGADHM Cc1nc(C)c(S(=O)(=O)[N-]Cc2ccc(F)cc2C(F)(F)F)s1 ZINC000433651195 500726037 /nfs/dbraw/zinc/72/60/37/500726037.db2.gz VLBABSWXYKULKP-UHFFFAOYSA-N -1 3 368.377 3.396 20 0 FGADHM O=C(CCC(=O)c1ccccn1)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000443561003 500738546 /nfs/dbraw/zinc/73/85/46/500738546.db2.gz RYIBHQZSZLXZEV-UHFFFAOYSA-N -1 3 354.284 3.287 20 0 FGADHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc3cc(Cl)ccc3s2)CCN1C ZINC000433836537 500752700 /nfs/dbraw/zinc/75/27/00/500752700.db2.gz PAMNRALTMUMDPQ-MFKMUULPSA-N -1 3 358.916 3.316 20 0 FGADHM Cc1nccc(C[N-]S(=O)(=O)c2cc3cc(Cl)ccc3s2)n1 ZINC000433836945 500752847 /nfs/dbraw/zinc/75/28/47/500752847.db2.gz BNURHAGZAXUVGM-UHFFFAOYSA-N -1 3 353.856 3.132 20 0 FGADHM COc1ccc(CC[C@@H](C)[N-]S(=O)(=O)c2sc(C)nc2C)cc1 ZINC000433845284 500754486 /nfs/dbraw/zinc/75/44/86/500754486.db2.gz WKAWQPRWKZYOFQ-LLVKDONJSA-N -1 3 354.497 3.068 20 0 FGADHM Cn1cc(C(=O)Nc2nnc(-c3cc4ccccc4o3)[n-]2)c(-c2ccoc2)n1 ZINC000448374869 500755649 /nfs/dbraw/zinc/75/56/49/500755649.db2.gz LSOPJYILAXYPOA-UHFFFAOYSA-N -1 3 374.360 3.464 20 0 FGADHM Cn1cc(C(=O)Nc2nc(-c3cc4ccccc4o3)n[n-]2)c(-c2ccoc2)n1 ZINC000448374869 500755652 /nfs/dbraw/zinc/75/56/52/500755652.db2.gz LSOPJYILAXYPOA-UHFFFAOYSA-N -1 3 374.360 3.464 20 0 FGADHM Cn1cc(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)c(-c2ccoc2)n1 ZINC000448374869 500755655 /nfs/dbraw/zinc/75/56/55/500755655.db2.gz LSOPJYILAXYPOA-UHFFFAOYSA-N -1 3 374.360 3.464 20 0 FGADHM CCO[C@H](C)c1ncc(C(=O)[N-]c2nc(-c3cccs3)nn2C)s1 ZINC000448400863 500758303 /nfs/dbraw/zinc/75/83/03/500758303.db2.gz ZYNWNIIDLNZNJE-SECBINFHSA-N -1 3 363.468 3.350 20 0 FGADHM C/C=C\C[C@H]([N-]S(=O)(=O)c1oc2ccc(F)cc2c1C)C(=O)OCC ZINC000433878919 500759467 /nfs/dbraw/zinc/75/94/67/500759467.db2.gz JORUVSJASVJRMB-SDQPKGBYSA-N -1 3 369.414 3.057 20 0 FGADHM O=C(N=c1cc(-c2cccc(F)c2)o[n-]1)c1ccn(-c2ccccc2F)n1 ZINC000448537738 500768763 /nfs/dbraw/zinc/76/87/63/500768763.db2.gz KDJGWMBQWIJDMZ-UHFFFAOYSA-N -1 3 366.327 3.480 20 0 FGADHM COc1ccc([C@H](CNC(=O)Cc2ccc([O-])c(F)c2)N2CCCC2)cc1 ZINC000448574320 500774630 /nfs/dbraw/zinc/77/46/30/500774630.db2.gz RCMXZYYKJATRGU-IBGZPJMESA-N -1 3 372.440 3.036 20 0 FGADHM O=S(=O)([N-]Cc1ccc2c(n1)CCCC2)c1cc(F)cc(Cl)c1 ZINC000443933357 500779691 /nfs/dbraw/zinc/77/96/91/500779691.db2.gz DHAULFDPXGHLCV-UHFFFAOYSA-N -1 3 354.834 3.231 20 0 FGADHM 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ZINC000440463669 501011088 /nfs/dbraw/zinc/01/10/88/501011088.db2.gz DTXBERJRHLISEH-UHFFFAOYSA-N -1 3 371.343 3.320 20 0 FGADHM COc1ccc(CN2CCSC[C@H]2C2CC2)c(Br)c1[O-] ZINC000449528547 501026580 /nfs/dbraw/zinc/02/65/80/501026580.db2.gz QFVNOHGVJSIRNT-LBPRGKRZSA-N -1 3 358.301 3.491 20 0 FGADHM CC(C)N1CC[C@H]([N-]S(=O)(=O)c2ccco2)[C@@H]1c1ccc(F)c(F)c1 ZINC000445740639 501027302 /nfs/dbraw/zinc/02/73/02/501027302.db2.gz HOLYGBKGODWKDR-RDJZCZTQSA-N -1 3 370.421 3.060 20 0 FGADHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-][C@@H](C)c1cc(C)sc1C ZINC000582453990 506230526 /nfs/dbraw/zinc/23/05/26/506230526.db2.gz JBZDOPOXSCGAGO-VIFPVBQESA-N -1 3 371.480 3.401 20 0 FGADHM CCN(Cc1ccccc1)C(=O)Cc1noc(-c2ccc(C)cc2[O-])n1 ZINC000445803963 501034991 /nfs/dbraw/zinc/03/49/91/501034991.db2.gz WMUVBXZTJIKURF-UHFFFAOYSA-N -1 3 351.406 3.342 20 0 FGADHM O=C(Nc1ncc(Cc2cc(Cl)ccc2Cl)s1)c1nc[n-]n1 ZINC000435941739 501049521 /nfs/dbraw/zinc/04/95/21/501049521.db2.gz VEDXABRYUSJDGD-UHFFFAOYSA-N -1 3 354.222 3.411 20 0 FGADHM Cc1cccc(Oc2ccccc2C(=O)N2CCc3nc[n-]c(=O)c3C2)c1 ZINC000441065779 501082110 /nfs/dbraw/zinc/08/21/10/501082110.db2.gz ONTTTZLJASWKCT-UHFFFAOYSA-N -1 3 361.401 3.481 20 0 FGADHM CC(=O)c1[n-]c(=NCc2cccc(COC3CCOCC3)c2)sc1C ZINC000450328665 501092471 /nfs/dbraw/zinc/09/24/71/501092471.db2.gz IGHMNBJQXMFTCI-UHFFFAOYSA-N -1 3 360.479 3.384 20 0 FGADHM O=C(NCCCNC(=O)[C@@H]1CCC[C@H]1c1ccccc1)c1cccc([O-])c1 ZINC000449835945 501102383 /nfs/dbraw/zinc/10/23/83/501102383.db2.gz RCVYFSMXVHLVAG-VQTJNVASSA-N -1 3 366.461 3.212 20 0 FGADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)[C@@H]2CCC[C@@H](OC)C2)[nH][n-]1 ZINC000449841374 501104064 /nfs/dbraw/zinc/10/40/64/501104064.db2.gz UZKUPELLZJRXSF-DGCLKSJQSA-N -1 3 363.845 3.304 20 0 FGADHM CC(C)CC1(CNC(=O)CC[N-]S(=O)(=O)c2cccs2)CCCC1 ZINC000446355885 501109704 /nfs/dbraw/zinc/10/97/04/501109704.db2.gz UMJQOMJEBODPJJ-UHFFFAOYSA-N -1 3 372.556 3.139 20 0 FGADHM OC[C@H](CN=c1[n-]c(C(F)(F)F)cs1)Cc1cc(F)c(F)c(F)c1 ZINC000436419194 501124597 /nfs/dbraw/zinc/12/45/97/501124597.db2.gz BKISZDBSXSWYFH-QMMMGPOBSA-N -1 3 370.318 3.264 20 0 FGADHM CC(C)(C)OC(=O)CN(C(=O)Cc1ccc([O-])c(F)c1)c1ccccc1 ZINC000449984009 501145588 /nfs/dbraw/zinc/14/55/88/501145588.db2.gz FKMVDPHQOYUBEB-UHFFFAOYSA-N -1 3 359.397 3.449 20 0 FGADHM COc1ccc(Br)cc1CN(C)C(=O)c1ccc(O)cc1[O-] ZINC000436522474 501147442 /nfs/dbraw/zinc/14/74/42/501147442.db2.gz VDZGCKHBVXSUCM-UHFFFAOYSA-N -1 3 366.211 3.141 20 0 FGADHM CCCN(C(=O)c1cc(OC)c([O-])c(OC)c1)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000436523285 501147665 /nfs/dbraw/zinc/14/76/65/501147665.db2.gz RTIKVELLPXIOSF-IAGOWNOFSA-N -1 3 365.470 3.465 20 0 FGADHM Cc1ccc(C(=O)Nc2cc(C(=O)N3CCOCC3)ccc2C)c([O-])c1C ZINC000436526757 501147826 /nfs/dbraw/zinc/14/78/26/501147826.db2.gz GDYVZSALUPDTFC-UHFFFAOYSA-N -1 3 368.433 3.042 20 0 FGADHM O=C1NCCN1c1ccc(Cl)c(-c2nc(-c3ccc([O-])cc3)no2)c1 ZINC000436535264 501149785 /nfs/dbraw/zinc/14/97/85/501149785.db2.gz RNMGLWGTEUXOQX-UHFFFAOYSA-N -1 3 356.769 3.292 20 0 FGADHM CCOc1cc(CCCNC(=O)c2ccc(OC)cc2[O-])ccc1OC ZINC000436540414 501151752 /nfs/dbraw/zinc/15/17/52/501151752.db2.gz XAJMTAGLDHVRTH-UHFFFAOYSA-N -1 3 359.422 3.171 20 0 FGADHM COc1ccc(C(=O)NCCc2nc3ccccc3n2C(F)F)c([O-])c1 ZINC000436547057 501153368 /nfs/dbraw/zinc/15/33/68/501153368.db2.gz PXHVIEPMHKCVHX-UHFFFAOYSA-N -1 3 361.348 3.118 20 0 FGADHM CCOC(=O)CN(C(=O)c1cc(Oc2ccccc2)ccc1[O-])C1CC1 ZINC000436548037 501153837 /nfs/dbraw/zinc/15/38/37/501153837.db2.gz LHEPRNISFSQYBI-UHFFFAOYSA-N -1 3 355.390 3.352 20 0 FGADHM CCCc1ccc([C@@H](C)N(CC(N)=O)C(=O)c2cc(C)ccc2[O-])cc1 ZINC000436549896 501154219 /nfs/dbraw/zinc/15/42/19/501154219.db2.gz RESPIBVWGHEYHS-OAHLLOKOSA-N -1 3 354.450 3.342 20 0 FGADHM CC[C@@H](C)NC(=O)c1ccc(NC(=O)c2cc(OC)ccc2[O-])c(C)c1 ZINC000436550473 501154578 /nfs/dbraw/zinc/15/45/78/501154578.db2.gz IQNVGIGQQNORAX-CYBMUJFWSA-N -1 3 356.422 3.490 20 0 FGADHM C[C@@H](CCN1CCOCC1)NC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436553005 501155036 /nfs/dbraw/zinc/15/50/36/501155036.db2.gz FJNJNFPCQTXJCT-INIZCTEOSA-N -1 3 370.449 3.025 20 0 FGADHM CS(=O)(=O)c1cc(C(=O)[N-]c2cc(Cl)cc(F)c2F)cs1 ZINC000441576495 501155957 /nfs/dbraw/zinc/15/59/57/501155957.db2.gz ZJQNWVQLCZRYMI-UHFFFAOYSA-N -1 3 351.783 3.336 20 0 FGADHM COc1cc(OC)cc(N2CC[C@@H](NC(=O)c3ccc(C)c(C)c3[O-])C2)c1 ZINC000436573322 501160239 /nfs/dbraw/zinc/16/02/39/501160239.db2.gz HBLXLVKQKYZHRU-OAHLLOKOSA-N -1 3 370.449 3.035 20 0 FGADHM O=C(NCc1nnc2ccccn21)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436578670 501161049 /nfs/dbraw/zinc/16/10/49/501161049.db2.gz AVTINIZTZQFJJV-UHFFFAOYSA-N -1 3 372.428 3.150 20 0 FGADHM NC(=O)c1cccc(CNC(=O)c2cc(Cc3ccccc3)ccc2[O-])c1 ZINC000436583476 501163116 /nfs/dbraw/zinc/16/31/16/501163116.db2.gz NUGAOSPKUWRRGA-UHFFFAOYSA-N -1 3 360.413 3.012 20 0 FGADHM CCOC(=O)C[C@@H](C)NC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436590218 501164660 /nfs/dbraw/zinc/16/46/60/501164660.db2.gz SDFYMBQQSHOQIU-CQSZACIVSA-N -1 3 357.406 3.043 20 0 FGADHM Cc1ccc(C(=O)N2CCOC[C@H]2CC(=O)c2ccccc2)c([O-])c1C ZINC000436590034 501164696 /nfs/dbraw/zinc/16/46/96/501164696.db2.gz XZIQUCXVTPIVOQ-QGZVFWFLSA-N -1 3 353.418 3.123 20 0 FGADHM C[C@H]1CN(CCCCNC(=O)c2cc3ccccc3cc2[O-])C[C@H](C)O1 ZINC000436589396 501165043 /nfs/dbraw/zinc/16/50/43/501165043.db2.gz PFXGMCFSDKVUFP-HOTGVXAUSA-N -1 3 356.466 3.165 20 0 FGADHM Cc1ccc(C(=O)Nc2ccc(Cl)c(-n3nnnc3C3CC3)c2)c([O-])c1 ZINC000436590637 501165155 /nfs/dbraw/zinc/16/51/55/501165155.db2.gz UDDZNGYOOQVVJN-UHFFFAOYSA-N -1 3 369.812 3.459 20 0 FGADHM [O-]c1cc2c(cc1-c1nc(-c3cnc(OCC(F)F)cn3)no1)CCCC2 ZINC000436595211 501165805 /nfs/dbraw/zinc/16/58/05/501165805.db2.gz LHUWBADDBGTVSO-UHFFFAOYSA-N -1 3 374.347 3.422 20 0 FGADHM CC(=O)c1ccc(C(=O)NCc2ccc(N3CCCCCC3)nc2)cc1[O-] ZINC000436595074 501165863 /nfs/dbraw/zinc/16/58/63/501165863.db2.gz KGSJUMBSVFZDFD-UHFFFAOYSA-N -1 3 367.449 3.300 20 0 FGADHM CC(=O)c1ccc(C(=O)NCc2ccc(OC3CCCC3)nc2)cc1[O-] ZINC000436596863 501166641 /nfs/dbraw/zinc/16/66/41/501166641.db2.gz SDPPANFEHAWGLZ-UHFFFAOYSA-N -1 3 354.406 3.241 20 0 FGADHM COC(=O)c1ccsc1[N-]C(=O)C(=O)N(C)[C@H](C)c1ccccc1C ZINC000441729648 501168166 /nfs/dbraw/zinc/16/81/66/501168166.db2.gz PPLVVUJCZGCCRS-GFCCVEGCSA-N -1 3 360.435 3.001 20 0 FGADHM CC1(C)Cc2ccc(C(=O)Nc3cccc4c3OCCC4=O)c([O-])c2O1 ZINC000436603914 501168298 /nfs/dbraw/zinc/16/82/98/501168298.db2.gz ISKFICBNMSREGQ-UHFFFAOYSA-N -1 3 353.374 3.323 20 0 FGADHM C[C@@H](NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2)C(=O)Cc1ccccc1 ZINC000436605747 501168674 /nfs/dbraw/zinc/16/86/74/501168674.db2.gz LMQALYSPXXJLHZ-CYBMUJFWSA-N -1 3 353.418 3.036 20 0 FGADHM CCc1ccc(NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1C ZINC000436610349 501168861 /nfs/dbraw/zinc/16/88/61/501168861.db2.gz SVFHFNUMTFLXGV-UHFFFAOYSA-N -1 3 367.449 3.253 20 0 FGADHM O=C(N[C@H]1CCO[C@H]1C1CC1)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436609738 501169142 /nfs/dbraw/zinc/16/91/42/501169142.db2.gz WCXSXEMWNJOTKB-ICSRJNTNSA-N -1 3 353.418 3.269 20 0 FGADHM COCCn1cc(NC(=O)c2cc(Cc3ccccc3)ccc2[O-])cn1 ZINC000436615666 501169946 /nfs/dbraw/zinc/16/99/46/501169946.db2.gz BHQRWIVIPOZOAM-UHFFFAOYSA-N -1 3 351.406 3.078 20 0 FGADHM CC(=O)c1ccc(C(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)cc1[O-] ZINC000436624091 501171566 /nfs/dbraw/zinc/17/15/66/501171566.db2.gz KEHYCOAYJRQJFN-FQEVSTJZSA-N -1 3 366.461 3.470 20 0 FGADHM C[C@H]1CC(C)(C)CC[C@H]1NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436632050 501173744 /nfs/dbraw/zinc/17/37/44/501173744.db2.gz BQQZICPJCJXIIM-MAUKXSAKSA-N -1 3 373.497 3.074 20 0 FGADHM O=C(NCCCCc1nc(-c2cccnc2)cs1)c1ccc(O)cc1[O-] ZINC000436631613 501173809 /nfs/dbraw/zinc/17/38/09/501173809.db2.gz VWPVMNUJURMZOD-UHFFFAOYSA-N -1 3 369.446 3.369 20 0 FGADHM CCOC(=O)c1cc(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)[nH]c1C ZINC000450086738 501176521 /nfs/dbraw/zinc/17/65/21/501176521.db2.gz NBXNDQYUGWNASM-UHFFFAOYSA-N -1 3 356.300 3.477 20 0 FGADHM CCC(=O)c1ccc([O-])c(NC(=O)c2ccccc2OCCN(C)C)c1 ZINC000436649951 501178723 /nfs/dbraw/zinc/17/87/23/501178723.db2.gz YEDRRLQDTHGNOJ-UHFFFAOYSA-N -1 3 356.422 3.178 20 0 FGADHM CCCN(CCN1CCCCC1)C(=O)c1ccc(Br)cc1[O-] ZINC000436653077 501179678 /nfs/dbraw/zinc/17/96/78/501179678.db2.gz SIHRCJCIICVEOK-UHFFFAOYSA-N -1 3 369.303 3.493 20 0 FGADHM COC(=O)c1cc(-c2csc(NC(=O)c3ccc(C)c(C)c3[O-])n2)c[nH]1 ZINC000436663981 501182343 /nfs/dbraw/zinc/18/23/43/501182343.db2.gz NQYFORAFUPAPIX-UHFFFAOYSA-N -1 3 371.418 3.500 20 0 FGADHM Cc1ccccc1C[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436669477 501184089 /nfs/dbraw/zinc/18/40/89/501184089.db2.gz LYJBBUJDTMLCOX-LPHOPBHVSA-N -1 3 366.461 3.053 20 0 FGADHM CC[C@H]1CCc2nc(NC(=O)NCc3nnc(C(F)(F)F)[n-]3)sc2C1 ZINC000441923037 501184788 /nfs/dbraw/zinc/18/47/88/501184788.db2.gz NFFGBRLJMYRICC-ZETCQYMHSA-N -1 3 374.392 3.117 20 0 FGADHM CC[C@H]1CCc2nc(NC(=O)NCc3n[n-]c(C(F)(F)F)n3)sc2C1 ZINC000441923037 501184792 /nfs/dbraw/zinc/18/47/92/501184792.db2.gz NFFGBRLJMYRICC-ZETCQYMHSA-N -1 3 374.392 3.117 20 0 FGADHM CC[C@H]1CCc2nc(NC(=O)NCc3nc(C(F)(F)F)n[n-]3)sc2C1 ZINC000441923037 501184796 /nfs/dbraw/zinc/18/47/96/501184796.db2.gz NFFGBRLJMYRICC-ZETCQYMHSA-N -1 3 374.392 3.117 20 0 FGADHM CC(C)Oc1ccc(CNC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)cn1 ZINC000436679152 501186691 /nfs/dbraw/zinc/18/66/91/501186691.db2.gz FBRPVTNPBDCZIL-UHFFFAOYSA-N -1 3 356.422 3.218 20 0 FGADHM Cc1ccc2oc(C(=O)N3CCN(C(=O)c4ccccc4[O-])CC3)cc2c1 ZINC000436680446 501187002 /nfs/dbraw/zinc/18/70/02/501187002.db2.gz JTGHERBNUJVJLL-UHFFFAOYSA-N -1 3 364.401 3.045 20 0 FGADHM CCOc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])cc1F ZINC000436685746 501187571 /nfs/dbraw/zinc/18/75/71/501187571.db2.gz DGVYHYXNWVRABD-INIZCTEOSA-N -1 3 372.396 3.173 20 0 FGADHM Cc1ccccc1-c1cc(=NC(=O)C(=O)Nc2cc(F)cc(Cl)c2)[nH][n-]1 ZINC000436692114 501189487 /nfs/dbraw/zinc/18/94/87/501189487.db2.gz LURKTHDGMIHBNK-UHFFFAOYSA-N -1 3 372.787 3.177 20 0 FGADHM COC(=O)C[C@](C)(NC(=O)c1ccc(C(C)C)cc1[O-])c1ccccn1 ZINC000436705586 501192463 /nfs/dbraw/zinc/19/24/63/501192463.db2.gz PQIFVFJQYFGUQX-FQEVSTJZSA-N -1 3 356.422 3.119 20 0 FGADHM O=C(N[C@H](CO)CC(F)(F)F)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436705119 501192507 /nfs/dbraw/zinc/19/25/07/501192507.db2.gz NXQFHLHUEDTZDL-AWEZNQCLSA-N -1 3 353.340 3.026 20 0 FGADHM C[C@H](COc1ccccc1C(F)(F)F)NC(=O)c1ccc(O)cc1[O-] ZINC000436711850 501193949 /nfs/dbraw/zinc/19/39/49/501193949.db2.gz LHBHZBUNRZVTCZ-SNVBAGLBSA-N -1 3 355.312 3.314 20 0 FGADHM C[C@H](NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F)c1ccccc1 ZINC000442089237 501196376 /nfs/dbraw/zinc/19/63/76/501196376.db2.gz LWLNFQORTCNDRM-LBPRGKRZSA-N -1 3 356.850 3.108 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N2CCC=C(c3ccccc3)C2)c([O-])c1 ZINC000436725293 501197879 /nfs/dbraw/zinc/19/78/79/501197879.db2.gz RWSLYAMXNNLOEB-UHFFFAOYSA-N -1 3 364.445 3.136 20 0 FGADHM C[C@@H]1CN(C(=O)c2cc(Br)ccc2[O-])CCN(C2CCC2)C1 ZINC000436730286 501198601 /nfs/dbraw/zinc/19/86/01/501198601.db2.gz FIKXULJKUDQQBY-LBPRGKRZSA-N -1 3 367.287 3.101 20 0 FGADHM CC[C@H](NCC[N-]S(=O)(=O)c1ccc(F)cc1F)c1ccc(F)cc1 ZINC000442122861 501199244 /nfs/dbraw/zinc/19/92/44/501199244.db2.gz JWMYYKLECDXNHK-INIZCTEOSA-N -1 3 372.412 3.123 20 0 FGADHM C[C@@H](CNC(=O)c1ccc(Br)cc1[O-])N1CCC(C)CC1 ZINC000436732731 501199660 /nfs/dbraw/zinc/19/96/60/501199660.db2.gz FGEOWLOKHJIVPD-LBPRGKRZSA-N -1 3 355.276 3.005 20 0 FGADHM O=C(CCc1ccc2ccccc2c1[O-])N1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000450182442 501203061 /nfs/dbraw/zinc/20/30/61/501203061.db2.gz CLHZSJHHSYHRAB-MAUKXSAKSA-N -1 3 367.367 3.392 20 0 FGADHM Cc1ccc(C(=O)N[C@H](c2nccn2C)c2ccc(F)cc2)c([O-])c1C ZINC000436755721 501204789 /nfs/dbraw/zinc/20/47/89/501204789.db2.gz MMHPZTQBVVKSRU-KRWDZBQOSA-N -1 3 353.397 3.401 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H]([C@@H](CO)C3CC3)C3CC3)nc2)n1 ZINC000450782618 501208110 /nfs/dbraw/zinc/20/81/10/501208110.db2.gz VKLKWGLNJWCJCH-QFBILLFUSA-N -1 3 354.454 3.016 20 0 FGADHM CCN(CC)S(=O)(=O)c1cccc(-c2nc(-c3ccc([O-])cc3)no2)c1 ZINC000436770915 501208703 /nfs/dbraw/zinc/20/87/03/501208703.db2.gz VXCFKQWOFNZQQD-UHFFFAOYSA-N -1 3 373.434 3.140 20 0 FGADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N[C@@H]1CCC[C@@H]1F ZINC000436776243 501209300 /nfs/dbraw/zinc/20/93/00/501209300.db2.gz IAOPIYZVQSZTEL-OTWHNJEPSA-N -1 3 370.424 3.260 20 0 FGADHM O=C(N[C@@H]1CCN(c2ccc(Br)cc2)C1)c1ccccc1[O-] ZINC000436775194 501209362 /nfs/dbraw/zinc/20/93/62/501209362.db2.gz PFGLZDHZTMHMOC-CYBMUJFWSA-N -1 3 361.239 3.163 20 0 FGADHM COc1cccc(C(=O)N[C@H](CC(=O)OC(C)C)c2ccccc2)c1[O-] ZINC000436776766 501210247 /nfs/dbraw/zinc/21/02/47/501210247.db2.gz LXHLVIXGGVGSFQ-MRXNPFEDSA-N -1 3 357.406 3.214 20 0 FGADHM COCCN(C(=O)c1cc(OC)c([O-])c(OC)c1)[C@H](C)c1ccccc1 ZINC000436782635 501210944 /nfs/dbraw/zinc/21/09/44/501210944.db2.gz OKGVOAVXUWCVPC-CQSZACIVSA-N -1 3 359.422 3.259 20 0 FGADHM C[C@@H](CN(C)C(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])c1ccccc1 ZINC000436784361 501210949 /nfs/dbraw/zinc/21/09/49/501210949.db2.gz PMJMBUCHIJYBSQ-LPHOPBHVSA-N -1 3 366.461 3.259 20 0 FGADHM Cn1nc(C(=O)Nc2cc(C(C)(C)C)ccc2[O-])c(=O)c2ccccc21 ZINC000436791926 501212336 /nfs/dbraw/zinc/21/23/36/501212336.db2.gz MEZIKDZJUSPFIA-UHFFFAOYSA-N -1 3 351.406 3.189 20 0 FGADHM C[C@H]1C[C@H]1N1CCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C[C@@H](C)C1 ZINC000436790642 501212394 /nfs/dbraw/zinc/21/23/94/501212394.db2.gz HDJFSDNWNSFPAX-SLEUVZQESA-N -1 3 356.388 3.213 20 0 FGADHM CCOc1cc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])ccc1C ZINC000436798089 501212982 /nfs/dbraw/zinc/21/29/82/501212982.db2.gz RBURTNBYPJKSAH-KRWDZBQOSA-N -1 3 368.433 3.343 20 0 FGADHM C[C@@H](NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2)c1nc2ccccc2n1C ZINC000436799363 501213137 /nfs/dbraw/zinc/21/31/37/501213137.db2.gz PJXBNCOAFHKLPQ-GFCCVEGCSA-N -1 3 365.433 3.483 20 0 FGADHM CCO[C@@H]1C[C@@H](N(C)C(=O)c2cc(OC)c([O-])c(OC)c2)C1(CC)CC ZINC000436806992 501214554 /nfs/dbraw/zinc/21/45/54/501214554.db2.gz HCWWUWKDTHAFFS-IAGOWNOFSA-N -1 3 365.470 3.465 20 0 FGADHM O=C(CCCc1ccccc1)N[C@@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC000436811245 501214872 /nfs/dbraw/zinc/21/48/72/501214872.db2.gz INSZGJLXLAMFFW-GOSISDBHSA-N -1 3 366.461 3.136 20 0 FGADHM COC(=O)[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1c1ccc(Cl)cc1 ZINC000436816037 501215836 /nfs/dbraw/zinc/21/58/36/501215836.db2.gz YUYUJMRAYHMBCD-JKSUJKDBSA-N -1 3 359.809 3.074 20 0 FGADHM CCOC(=O)c1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2[O-])nc1 ZINC000436816557 501215876 /nfs/dbraw/zinc/21/58/76/501215876.db2.gz FHDIMNOCRBECNN-UHFFFAOYSA-N -1 3 354.284 3.235 20 0 FGADHM COC(=O)C[C@@]1(NC(=O)c2cc(C(C)C)cc(C(C)C)c2[O-])CCOC1 ZINC000436821756 501216338 /nfs/dbraw/zinc/21/63/38/501216338.db2.gz YIQIOMSGIHYBIT-FQEVSTJZSA-N -1 3 363.454 3.091 20 0 FGADHM CCc1ccc(C(=O)N(CC)[C@H]2CCN(c3ccccc3)C2=O)c([O-])c1 ZINC000436824641 501216822 /nfs/dbraw/zinc/21/68/22/501216822.db2.gz ICUDWOLYFIDUMO-SFHVURJKSA-N -1 3 352.434 3.222 20 0 FGADHM COCCN(C(=O)c1cc(Cc2ccccc2)ccc1[O-])[C@@H]1CCO[C@H]1C ZINC000436823986 501216958 /nfs/dbraw/zinc/21/69/58/501216958.db2.gz YDOLQSAVPVZCTI-OXJNMPFZSA-N -1 3 369.461 3.249 20 0 FGADHM CCc1ccc(C(=O)N2CCC(O)(Cc3ccc(F)cc3)CC2)c([O-])c1 ZINC000436834956 501219069 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/nfs/dbraw/zinc/46/80/09/501468009.db2.gz CERRIEFIUMLIDH-UHFFFAOYSA-N -1 3 357.454 3.119 20 0 FGADHM CCC1(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)CC1 ZINC000452459668 501504982 /nfs/dbraw/zinc/50/49/82/501504982.db2.gz LAWRDWHTSAKCMF-UHFFFAOYSA-N -1 3 362.426 3.299 20 0 FGADHM Cc1ccc(C(=O)Nc2ccc(F)c([N-]S(C)(=O)=O)c2)c(C2CC2)n1 ZINC000454463085 501551240 /nfs/dbraw/zinc/55/12/40/501551240.db2.gz DLRQIZVKQSYTBH-UHFFFAOYSA-N -1 3 363.414 3.030 20 0 FGADHM COC[C@@H](CNC(=O)Cc1ccc([O-])c(F)c1)c1ccc(Cl)cc1 ZINC000452747699 501555183 /nfs/dbraw/zinc/55/51/83/501555183.db2.gz ISHIRGOYFZDLTK-CQSZACIVSA-N -1 3 351.805 3.274 20 0 FGADHM Cc1c(Br)ccc([O-])c1NC(=O)CNC(=O)CC1CCCC1 ZINC000452749624 501555644 /nfs/dbraw/zinc/55/56/44/501555644.db2.gz MMQOQBJBWYPUKK-UHFFFAOYSA-N -1 3 369.259 3.098 20 0 FGADHM CCOC(=O)CN(Cc1cc(Br)c([O-])c(OCC)c1)C1CC1 ZINC000459290657 501625502 /nfs/dbraw/zinc/62/55/02/501625502.db2.gz BTERZYUKCXDLHE-UHFFFAOYSA-N -1 3 372.259 3.081 20 0 FGADHM 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3 351.248 3.219 20 0 FGADHM CC[C@H](C)CN(CC)C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482108557 501977322 /nfs/dbraw/zinc/97/73/22/501977322.db2.gz YLZVQKMLVALRCT-NSHDSACASA-N -1 3 353.264 3.419 20 0 FGADHM CCN(CCC1CC1)C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482112782 501979002 /nfs/dbraw/zinc/97/90/02/501979002.db2.gz ITGSRQCJUJAENL-UHFFFAOYSA-N -1 3 351.248 3.173 20 0 FGADHM CCCCOc1ccc(CC[N-]S(=O)(=O)c2sccc2OC)cc1 ZINC000471314375 501987800 /nfs/dbraw/zinc/98/78/00/501987800.db2.gz LXFQZKYSFNWMGR-UHFFFAOYSA-N -1 3 369.508 3.457 20 0 FGADHM CO[C@@H](CNC(=O)c1cc(=O)c2ccccc2[n-]1)c1ccc(Cl)cc1 ZINC000461025579 501992556 /nfs/dbraw/zinc/99/25/56/501992556.db2.gz DXUZPBIIBWDMJQ-SFHVURJKSA-N -1 3 356.809 3.299 20 0 FGADHM CC[C@H]1CCC[C@H]1NC(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482164287 501994093 /nfs/dbraw/zinc/99/40/93/501994093.db2.gz ABISKUFDYWUXMS-GXFFZTMASA-N -1 3 351.248 3.219 20 0 FGADHM O=C([N-]c1ccc(-c2nc[nH]n2)cc1F)c1occc1Br ZINC000468221890 501994531 /nfs/dbraw/zinc/99/45/31/501994531.db2.gz QVRACDXTTLTEGV-UHFFFAOYSA-N -1 3 351.135 3.219 20 0 FGADHM C[C@@H]1CCN(C(=O)N=c2cc3ccc(Br)cn3[n-]2)C[C@@H]1C ZINC000482168571 501995686 /nfs/dbraw/zinc/99/56/86/501995686.db2.gz KDONUJBLJCPNEF-MNOVXSKESA-N -1 3 351.248 3.029 20 0 FGADHM C[C@H](CNC(=O)N=c1cc2ccc(Br)cn2[n-]1)c1ccccc1 ZINC000482169631 501996541 /nfs/dbraw/zinc/99/65/41/501996541.db2.gz NESLGPFBKWEDHZ-GFCCVEGCSA-N -1 3 373.254 3.444 20 0 FGADHM CC[C@@H]1C[C@H](C)CN1C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482189150 502001987 /nfs/dbraw/zinc/00/19/87/502001987.db2.gz VHSPWJASJXRXRP-CMPLNLGQSA-N -1 3 351.248 3.171 20 0 FGADHM Cc1nc(-c2cccs2)ccc1C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000482210989 502007748 /nfs/dbraw/zinc/00/77/48/502007748.db2.gz MHFXCJUVBOKSCO-UHFFFAOYSA-N -1 3 367.356 3.185 20 0 FGADHM Cc1nc(-c2cccs2)ccc1C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000482210989 502007753 /nfs/dbraw/zinc/00/77/53/502007753.db2.gz MHFXCJUVBOKSCO-UHFFFAOYSA-N -1 3 367.356 3.185 20 0 FGADHM Cc1nc(-c2cccs2)ccc1C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000482210989 502007757 /nfs/dbraw/zinc/00/77/57/502007757.db2.gz MHFXCJUVBOKSCO-UHFFFAOYSA-N -1 3 367.356 3.185 20 0 FGADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)c1ccccc1OC1CCCCC1 ZINC000482209660 502007993 /nfs/dbraw/zinc/00/79/93/502007993.db2.gz JJGGYNMLOJOOKL-UHFFFAOYSA-N -1 3 368.359 3.465 20 0 FGADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)c1ccccc1OC1CCCCC1 ZINC000482209660 502007999 /nfs/dbraw/zinc/00/79/99/502007999.db2.gz JJGGYNMLOJOOKL-UHFFFAOYSA-N -1 3 368.359 3.465 20 0 FGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1ccccc1OC1CCCCC1 ZINC000482209660 502008006 /nfs/dbraw/zinc/00/80/06/502008006.db2.gz JJGGYNMLOJOOKL-UHFFFAOYSA-N -1 3 368.359 3.465 20 0 FGADHM O=C(CNC(=O)c1cccc([O-])c1)N[C@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000471391321 502008899 /nfs/dbraw/zinc/00/88/99/502008899.db2.gz QLUNSRJUSCZCLK-XLIONFOSSA-N -1 3 366.461 3.040 20 0 FGADHM O=C(CNC(=O)c1cccc([O-])c1)N[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000471398910 502012840 /nfs/dbraw/zinc/01/28/40/502012840.db2.gz RCNSUUONSYIXJG-SFHVURJKSA-N -1 3 358.825 3.043 20 0 FGADHM CC[C@@H](C(=O)[O-])N1CCN([C@@H](CC)c2ccc(Br)cc2)CC1 ZINC000478550943 502015862 /nfs/dbraw/zinc/01/58/62/502015862.db2.gz QFGIRUNAJGBVAS-HOTGVXAUSA-N -1 3 369.303 3.381 20 0 FGADHM Cc1cccc(Cl)c1[N-]S(=O)(=O)c1ccccc1Cn1cncn1 ZINC000461115390 502018264 /nfs/dbraw/zinc/01/82/64/502018264.db2.gz XCWSSNHSEFANOU-UHFFFAOYSA-N -1 3 362.842 3.089 20 0 FGADHM CCCOc1ccc(Cl)cc1NC(=O)CNC(=O)c1cccc([O-])c1 ZINC000471414008 502019687 /nfs/dbraw/zinc/01/96/87/502019687.db2.gz TVFASKAJUMHKFB-UHFFFAOYSA-N -1 3 362.813 3.203 20 0 FGADHM CCc1cc(C(=O)Nc2cccc(C(=O)Nc3ccncc3)c2)ccc1[O-] ZINC000486027178 502022189 /nfs/dbraw/zinc/02/21/89/502022189.db2.gz ICVLIZQYKIDONA-UHFFFAOYSA-N -1 3 361.401 3.276 20 0 FGADHM C[C@H]1[C@H](Cc2ccccc2)CCN1C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000475034091 502028088 /nfs/dbraw/zinc/02/80/88/502028088.db2.gz MKMRJNAGVXMETO-ZFWWWQNUSA-N -1 3 363.417 3.055 20 0 FGADHM CCc1cc(Br)ccc1NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000478607197 502032319 /nfs/dbraw/zinc/03/23/19/502032319.db2.gz CTCISFHWEFXBBV-UHFFFAOYSA-N -1 3 373.206 3.147 20 0 FGADHM COCc1ccc(S(=O)(=O)[N-]c2ccc(-n3cnc(C)c3C)cc2)cc1 ZINC000461206638 502038509 /nfs/dbraw/zinc/03/85/09/502038509.db2.gz FZVJJINWDCSLMO-UHFFFAOYSA-N -1 3 371.462 3.436 20 0 FGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]CCC1CCC(OC)CC1 ZINC000486085703 502042411 /nfs/dbraw/zinc/04/24/11/502042411.db2.gz ATCPYQPBTDEHOO-UHFFFAOYSA-N -1 3 361.891 3.222 20 0 FGADHM Cc1ncsc1CN1C[C@@H](F)C[C@H]1CN(C)Cc1cc([O-])cc(F)c1 ZINC000475083593 502049277 /nfs/dbraw/zinc/04/92/77/502049277.db2.gz ILBAYTGSVWSPDL-HOTGVXAUSA-N -1 3 367.465 3.341 20 0 FGADHM Cc1nc(CN2C[C@@H](F)C[C@H]2CN(C)Cc2cc([O-])cc(F)c2)cs1 ZINC000475085659 502050669 /nfs/dbraw/zinc/05/06/69/502050669.db2.gz FFAGALNZDOWRIS-RDJZCZTQSA-N -1 3 367.465 3.341 20 0 FGADHM CC(C)(C)c1noc2ncc(C(=O)[N-]c3nc4cc(Cl)ccn4n3)cc21 ZINC000464651786 502055521 /nfs/dbraw/zinc/05/55/21/502055521.db2.gz WRJFBHJHMABSKC-UHFFFAOYSA-N -1 3 370.800 3.469 20 0 FGADHM COc1ccccc1-c1nc(NC(=O)Cc2csc(C(C)(C)C)n2)n[n-]1 ZINC000588641509 506291546 /nfs/dbraw/zinc/29/15/46/506291546.db2.gz QYUFOTVJDXKDJC-UHFFFAOYSA-N -1 3 371.466 3.416 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(C)nn(C)c3c2)c(C)c1C ZINC000461329872 502072784 /nfs/dbraw/zinc/07/27/84/502072784.db2.gz BKNIKPHHDWFPBP-UHFFFAOYSA-N -1 3 359.451 3.308 20 0 FGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]C1(c2ccccc2F)CC1 ZINC000486256378 502101475 /nfs/dbraw/zinc/10/14/75/502101475.db2.gz LLJQFIDYMHAFLB-UHFFFAOYSA-N -1 3 355.818 3.455 20 0 FGADHM COc1ccc(NC(C)=O)cc1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000468560532 502106823 /nfs/dbraw/zinc/10/68/23/502106823.db2.gz PDNNKYBDHQFFQO-UHFFFAOYSA-N -1 3 360.385 3.460 20 0 FGADHM O=C(CCCc1ccc([O-])c(F)c1)NC[C@@H](c1ccco1)N1CCCC1 ZINC000468566908 502108889 /nfs/dbraw/zinc/10/88/89/502108889.db2.gz QFBMAVDAGVVCHS-KRWDZBQOSA-N -1 3 360.429 3.400 20 0 FGADHM CCS(=O)(=O)c1cccc(CC(=O)Nc2ccc(Cl)cc2[O-])c1 ZINC000461457382 502122569 /nfs/dbraw/zinc/12/25/69/502122569.db2.gz PUJXDAZTDSZGAM-UHFFFAOYSA-N -1 3 353.827 3.020 20 0 FGADHM O=C(NCc1ccc(Oc2cccnc2)c(F)c1)NCc1ncccc1[O-] ZINC000471735148 502122791 /nfs/dbraw/zinc/12/27/91/502122791.db2.gz GPCIKIPIYHRJQS-UHFFFAOYSA-N -1 3 368.368 3.113 20 0 FGADHM O=C1[N-][C@@](c2ccccc2)(C(F)(F)F)C(=O)N1Cc1ccc(F)cc1F ZINC000464874418 502133591 /nfs/dbraw/zinc/13/35/91/502133591.db2.gz OIXVRTFTQYUICA-MRXNPFEDSA-N -1 3 370.277 3.474 20 0 FGADHM Cc1ccc(C(=O)Nc2cccc(CNC(=O)c3csc(=O)[n-]3)c2)cc1 ZINC000471791755 502137619 /nfs/dbraw/zinc/13/76/19/502137619.db2.gz IKKNEFYSMKRGPC-UHFFFAOYSA-N -1 3 367.430 3.339 20 0 FGADHM CC[C@H](NC(=O)NCc1ccc([O-])c(Br)c1)C(F)(F)F ZINC000468672318 502141932 /nfs/dbraw/zinc/14/19/32/502141932.db2.gz JRIZEZHFTLOYHC-JTQLQIEISA-N -1 3 355.154 3.295 20 0 FGADHM CC[C@@H](C)Oc1ccc(C(=O)Nc2cc3c(cc2[O-])n(C)c(=O)n3C)cc1 ZINC000461613196 502153479 /nfs/dbraw/zinc/15/34/79/502153479.db2.gz ZAOWJLHFNCVUNU-GFCCVEGCSA-N -1 3 369.421 3.012 20 0 FGADHM CC[C@H](C)n1nc(C(=O)Nc2nc3cccc(C(=O)OC)c3[n-]2)cc1C ZINC000479083831 502159838 /nfs/dbraw/zinc/15/98/38/502159838.db2.gz FFZJDRJOHSOSGV-JTQLQIEISA-N -1 3 355.398 3.078 20 0 FGADHM CC[C@H](C)n1nc(C(=O)Nc2nc3c(cccc3C(=O)OC)[n-]2)cc1C ZINC000479083831 502159842 /nfs/dbraw/zinc/15/98/42/502159842.db2.gz FFZJDRJOHSOSGV-JTQLQIEISA-N -1 3 355.398 3.078 20 0 FGADHM CCCC1CCC(NC(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C)c2)CC1 ZINC000486465118 502160833 /nfs/dbraw/zinc/16/08/33/502160833.db2.gz UOUNSIRCJONWBO-UHFFFAOYSA-N -1 3 371.478 3.214 20 0 FGADHM CC[C@@H](C)[C@H]([N-]S(C)(=O)=O)C(=O)Nc1ccc(C(C)(C)CC)cc1 ZINC000468744287 502168024 /nfs/dbraw/zinc/16/80/24/502168024.db2.gz PXYZDBZCLKVDQR-CJNGLKHVSA-N -1 3 354.516 3.277 20 0 FGADHM CC(C)(C)[C@H](NC(=O)NCc1nnc(C(F)(F)F)[n-]1)c1ccccc1 ZINC000482765322 502175051 /nfs/dbraw/zinc/17/50/51/502175051.db2.gz HFJBWHCJGGRXCW-GFCCVEGCSA-N -1 3 355.364 3.410 20 0 FGADHM CC(C)(C)[C@H](NC(=O)NCc1n[n-]c(C(F)(F)F)n1)c1ccccc1 ZINC000482765322 502175057 /nfs/dbraw/zinc/17/50/57/502175057.db2.gz HFJBWHCJGGRXCW-GFCCVEGCSA-N -1 3 355.364 3.410 20 0 FGADHM CC(C)(C)[C@H](NC(=O)NCc1nc(C(F)(F)F)n[n-]1)c1ccccc1 ZINC000482765322 502175062 /nfs/dbraw/zinc/17/50/62/502175062.db2.gz HFJBWHCJGGRXCW-GFCCVEGCSA-N -1 3 355.364 3.410 20 0 FGADHM CCc1cc(C(=O)Nc2ccc3ccn(CC(=O)N(C)C)c3c2)ccc1[O-] ZINC000486547803 502186067 /nfs/dbraw/zinc/18/60/67/502186067.db2.gz JJGILYGJXMBKSO-UHFFFAOYSA-N -1 3 365.433 3.250 20 0 FGADHM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2cc(F)ccc2Cl)cc1 ZINC000607881302 506301277 /nfs/dbraw/zinc/30/12/77/506301277.db2.gz MOKYKLYADNVQDM-UHFFFAOYSA-N -1 3 356.806 3.263 20 0 FGADHM CN(C)c1ccc2cc(NC(=O)c3c[n-]nc3-c3ccncc3)ccc2n1 ZINC000472009374 502198265 /nfs/dbraw/zinc/19/82/65/502198265.db2.gz UEXKYHVICWAIOW-UHFFFAOYSA-N -1 3 358.405 3.338 20 0 FGADHM CN(C)c1ccc2cc(NC(=O)c3cn[n-]c3-c3ccncc3)ccc2n1 ZINC000472009374 502198269 /nfs/dbraw/zinc/19/82/69/502198269.db2.gz UEXKYHVICWAIOW-UHFFFAOYSA-N -1 3 358.405 3.338 20 0 FGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCCC[C@@H]1n1cccn1 ZINC000486583515 502198465 /nfs/dbraw/zinc/19/84/65/502198465.db2.gz HEGICBAKJUJHNB-KGLIPLIRSA-N -1 3 369.874 3.007 20 0 FGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H](C)Oc1ccc(C)cc1 ZINC000486584085 502199091 /nfs/dbraw/zinc/19/90/91/502199091.db2.gz UNTOMRGSPUVYLV-CYBMUJFWSA-N -1 3 369.870 3.403 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]C[C@H](CO)CC2CCCC2)sc1Cl ZINC000461794009 502204376 /nfs/dbraw/zinc/20/43/76/502204376.db2.gz FWUGFAJTJKFZQW-GFCCVEGCSA-N -1 3 351.921 3.177 20 0 FGADHM CC1=C(C)CN(C(=O)c2c[n-]c3ccc(Br)cc3c2=O)CC1 ZINC000482887231 502206934 /nfs/dbraw/zinc/20/69/34/502206934.db2.gz ICGZZUFYUDIPFN-UHFFFAOYSA-N -1 3 361.239 3.473 20 0 FGADHM C[C@@H](CC(=O)c1ccc(F)cc1)NC(=O)c1c[n-]nc1-c1ccccn1 ZINC000486681576 502229056 /nfs/dbraw/zinc/22/90/56/502229056.db2.gz OAQJBMDGFHGQNR-LBPRGKRZSA-N -1 3 352.369 3.002 20 0 FGADHM Cc1cc(S(=O)(=O)[N-][C@H](C)COCC(F)(F)F)c(Cl)cc1F ZINC000472114771 502237056 /nfs/dbraw/zinc/23/70/56/502237056.db2.gz HLPDKWKGMDZPKJ-MRVPVSSYSA-N -1 3 363.760 3.033 20 0 FGADHM O=S(=O)([N-][C@@H]1CCC[C@H](c2ccccc2)C1)c1cn2c(n1)CCCC2 ZINC000486709107 502239600 /nfs/dbraw/zinc/23/96/00/502239600.db2.gz LJTUDEXKZHKKSZ-DLBZAZTESA-N -1 3 359.495 3.224 20 0 FGADHM Cc1ccc(SC[C@H](C)NC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)cc1 ZINC000472126996 502241453 /nfs/dbraw/zinc/24/14/53/502241453.db2.gz XWUCLYHGHIFSII-LBPRGKRZSA-N -1 3 369.446 3.181 20 0 FGADHM CC(C)(CNC(=O)CC[N-]S(=O)(=O)c1cccs1)C1=CCCCC1 ZINC000475658155 502245273 /nfs/dbraw/zinc/24/52/73/502245273.db2.gz CZYAJQGVRYVJII-UHFFFAOYSA-N -1 3 370.540 3.059 20 0 FGADHM CCOC(=O)c1csc(CNC(=O)c2cc([O-])c3ccccc3c2)n1 ZINC000472150904 502249055 /nfs/dbraw/zinc/24/90/55/502249055.db2.gz FJLSVGIZZYLZCV-UHFFFAOYSA-N -1 3 356.403 3.109 20 0 FGADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)NC1(c2ccccc2)CCCCC1 ZINC000483027698 502250308 /nfs/dbraw/zinc/25/03/08/502250308.db2.gz VRGRTGJQVLVQPN-UHFFFAOYSA-N -1 3 367.375 3.482 20 0 FGADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)NC1(c2ccccc2)CCCCC1 ZINC000483027698 502250313 /nfs/dbraw/zinc/25/03/13/502250313.db2.gz VRGRTGJQVLVQPN-UHFFFAOYSA-N -1 3 367.375 3.482 20 0 FGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)NC1(c2ccccc2)CCCCC1 ZINC000483027698 502250317 /nfs/dbraw/zinc/25/03/17/502250317.db2.gz VRGRTGJQVLVQPN-UHFFFAOYSA-N -1 3 367.375 3.482 20 0 FGADHM C[C@H](NC(=O)NCc1ncccc1[O-])c1ccc(Br)s1 ZINC000472177693 502258973 /nfs/dbraw/zinc/25/89/73/502258973.db2.gz WQIZWVWWCTYYHT-QMMMGPOBSA-N -1 3 356.245 3.172 20 0 FGADHM O=C(NCc1ncccc1[O-])NCC1(c2cccc(F)c2F)CCCC1 ZINC000472174950 502258991 /nfs/dbraw/zinc/25/89/91/502258991.db2.gz RUDASRSTJVAPSK-UHFFFAOYSA-N -1 3 361.392 3.377 20 0 FGADHM Cc1cc(F)c(S(=O)(=O)[N-]CCc2ccc3ccccc3n2)cc1F ZINC000475731152 502268024 /nfs/dbraw/zinc/26/80/24/502268024.db2.gz CQCPWIKMFCAHMK-UHFFFAOYSA-N -1 3 362.401 3.342 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)c1ccc(NC(C)=O)c2ccccc21)C(F)(F)F ZINC000469037963 502272852 /nfs/dbraw/zinc/27/28/52/502272852.db2.gz UOKZIZMPJKVADD-HNNXBMFYSA-N -1 3 374.384 3.417 20 0 FGADHM CCOCc1ccc(C[N-]S(=O)(=O)c2cc(F)c(C)cc2F)cc1 ZINC000475748828 502279452 /nfs/dbraw/zinc/27/94/52/502279452.db2.gz MAWHVMKTZLLCGQ-UHFFFAOYSA-N -1 3 355.406 3.288 20 0 FGADHM CC[C@H](C)Oc1cc(C)ccc1C[N-]S(=O)(=O)Cc1cc(C)no1 ZINC000465502596 502280813 /nfs/dbraw/zinc/28/08/13/502280813.db2.gz REOABWTZKMKMEO-AWEZNQCLSA-N -1 3 352.456 3.088 20 0 FGADHM CCCC1(C(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)CC1 ZINC000472246184 502283696 /nfs/dbraw/zinc/28/36/96/502283696.db2.gz ZKVVQJOHLWEEAY-UHFFFAOYSA-N -1 3 356.463 3.421 20 0 FGADHM CCC(C)(C)c1ccc(NC(=O)c2cncc([N-]S(C)(=O)=O)c2)cc1 ZINC000469074154 502286805 /nfs/dbraw/zinc/28/68/05/502286805.db2.gz SXVBWNCHNOXNIV-UHFFFAOYSA-N -1 3 361.467 3.393 20 0 FGADHM COc1cccc([C@@H](C)[N-]S(=O)(=O)c2c(F)cc(OC)cc2F)c1 ZINC000588681485 506304859 /nfs/dbraw/zinc/30/48/59/506304859.db2.gz KIQDNRZEVUCMKA-SNVBAGLBSA-N -1 3 357.378 3.022 20 0 FGADHM O=S(=O)([N-][C@H]1CCN(C2CCCC2)C1)c1ccc(C(F)(F)F)s1 ZINC000462105891 502308142 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20 0 FGADHM CC(C)c1cc(NC(=O)NCc2ccc([O-])c(Br)c2)no1 ZINC000483235116 502322068 /nfs/dbraw/zinc/32/20/68/502322068.db2.gz LEZQBGKCPJYRTD-UHFFFAOYSA-N -1 3 354.204 3.010 20 0 FGADHM CC(=O)N(C)c1ccc(C(=O)Nc2ccc(Br)cc2[O-])cc1 ZINC000582582218 506306813 /nfs/dbraw/zinc/30/68/13/506306813.db2.gz SHSSFULMALKMKJ-UHFFFAOYSA-N -1 3 363.211 3.390 20 0 FGADHM C[C@@H]1[C@@H](Cc2ccccc2)CCN1C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000472389459 502338868 /nfs/dbraw/zinc/33/88/68/502338868.db2.gz REZQEBWDIOXANX-CRAIPNDOSA-N -1 3 372.490 3.151 20 0 FGADHM Cc1ccc(SC[C@H](C)NC(=O)NCc2nnc(C(F)(F)F)[n-]2)cc1 ZINC000483316308 502347928 /nfs/dbraw/zinc/34/79/28/502347928.db2.gz SOFAPSLPQYZFBM-JTQLQIEISA-N -1 3 373.404 3.112 20 0 FGADHM Cc1ccc(SC[C@H](C)NC(=O)NCc2n[n-]c(C(F)(F)F)n2)cc1 ZINC000483316308 502347933 /nfs/dbraw/zinc/34/79/33/502347933.db2.gz SOFAPSLPQYZFBM-JTQLQIEISA-N -1 3 373.404 3.112 20 0 FGADHM Cc1ccc(SC[C@H](C)NC(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000483316308 502347939 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FGADHM CC[C@@H](C)c1nc([C@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2OC)n[nH]1 ZINC000487342625 502422008 /nfs/dbraw/zinc/42/20/08/502422008.db2.gz GJJJSWRQCLGWBK-ZJUUUORDSA-N -1 3 372.878 3.020 20 0 FGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]Cc1cccc2cc[nH]c21 ZINC000487344602 502422351 /nfs/dbraw/zinc/42/23/51/502422351.db2.gz WWIOWWOEZZGPRP-UHFFFAOYSA-N -1 3 350.827 3.308 20 0 FGADHM CCNC(=O)Nc1cccc(NC(=O)c2ccc3nc(OCC)[n-]c3c2)c1 ZINC000469633819 502487244 /nfs/dbraw/zinc/48/72/44/502487244.db2.gz RIQYNDLXDYLRIF-UHFFFAOYSA-N -1 3 367.409 3.355 20 0 FGADHM CCNC(=O)Nc1cccc(NC(=O)c2ccc3[n-]c(OCC)nc3c2)c1 ZINC000469633819 502487245 /nfs/dbraw/zinc/48/72/45/502487245.db2.gz RIQYNDLXDYLRIF-UHFFFAOYSA-N -1 3 367.409 3.355 20 0 FGADHM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3cc(F)c(F)cc3Cl)cc2o1 ZINC000476435503 502488450 /nfs/dbraw/zinc/48/84/50/502488450.db2.gz OCZMSMITXZYUAP-UHFFFAOYSA-N -1 3 360.725 3.266 20 0 FGADHM CC(C)COc1ccccc1NC(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000480190110 502495981 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CCOc1nc2ccc(C(=O)N[C@H](COC)c3ccc(CC)o3)cc2[n-]1 ZINC000469708241 502510396 /nfs/dbraw/zinc/51/03/96/502510396.db2.gz RQUNNYMEYNSZAF-MRXNPFEDSA-N -1 3 357.410 3.235 20 0 FGADHM CC(C)Sc1ccccc1[N-]C(=O)c1ccc(S(N)(=O)=O)s1 ZINC000473070846 502513611 /nfs/dbraw/zinc/51/36/11/502513611.db2.gz QIYQOQHOTODLKL-UHFFFAOYSA-N -1 3 356.494 3.148 20 0 FGADHM COc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C)COCc2ccccc2)c1 ZINC000462630682 502514185 /nfs/dbraw/zinc/51/41/85/502514185.db2.gz IRDTWANKDNSULH-ZDUSSCGKSA-N -1 3 369.870 3.232 20 0 FGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)C[C@H]2CCc3ccccc32)c1 ZINC000607915349 506319142 /nfs/dbraw/zinc/31/91/42/506319142.db2.gz ZGMDPFARAGLDLC-OAHLLOKOSA-N -1 3 358.463 3.425 20 0 FGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H](C)Oc2ccc(F)cc2)c1 ZINC000462701184 502538701 /nfs/dbraw/zinc/53/87/01/502538701.db2.gz HKCULBGEGQDRGX-LLVKDONJSA-N -1 3 373.833 3.234 20 0 FGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H](C)Oc2cccc(C)c2)c1 ZINC000462703807 502539779 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COC[C@H]([N-]S(=O)(=O)c1ccc(F)c(OC)c1)c1cccc(Cl)c1 ZINC000563565532 505178500 /nfs/dbraw/zinc/17/85/00/505178500.db2.gz QDWHMZZMYHWLRF-HNNXBMFYSA-N -1 3 373.833 3.154 20 0 FGADHM CC[C@@](NC(=O)CCCc1ccc([O-])c(F)c1)(C(=O)OC)c1ccccc1 ZINC000557638399 505190411 /nfs/dbraw/zinc/19/04/11/505190411.db2.gz IPKHGNKTCZMBIX-NRFANRHFSA-N -1 3 373.424 3.449 20 0 FGADHM COCCNc1ccccc1NC(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000557649825 505193459 /nfs/dbraw/zinc/19/34/59/505193459.db2.gz OBDYABNQTXDJSL-UHFFFAOYSA-N -1 3 369.396 3.286 20 0 FGADHM C[C@@H](Cc1ccccc1C(F)(F)F)[N-]S(=O)(=O)c1cscn1 ZINC000563619772 505194350 /nfs/dbraw/zinc/19/43/50/505194350.db2.gz DJZPWBGKTFVKPG-VIFPVBQESA-N -1 3 350.387 3.071 20 0 FGADHM C[N-]S(=O)(=O)c1cc(NC(=O)c2cc3cc(C)ccc3o2)ccc1F ZINC000563643987 505199656 /nfs/dbraw/zinc/19/96/56/505199656.db2.gz YBTZXMHHECTQQJ-UHFFFAOYSA-N -1 3 362.382 3.041 20 0 FGADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)NC[C@@H]1CCC[C@H]1C1CC1 ZINC000560871474 505204969 /nfs/dbraw/zinc/20/49/69/505204969.db2.gz NKSKLTCKEJWQJR-KBPBESRZSA-N -1 3 354.454 3.107 20 0 FGADHM COc1ccc2c(c1)[n-]cc(C(=O)N1CC[C@](F)(c3ccccc3)C1)c2=O ZINC000566573917 505210375 /nfs/dbraw/zinc/21/03/75/505210375.db2.gz KHFMDUQYCQUAIQ-OAQYLSRUSA-N -1 3 366.392 3.248 20 0 FGADHM C[C@H](NC(=O)c1c[n-]nc1-c1ccccn1)c1nc(C(F)(F)F)cs1 ZINC000566593065 505215045 /nfs/dbraw/zinc/21/50/45/505215045.db2.gz VLRVHJGNJDZTKT-QMMMGPOBSA-N -1 3 367.356 3.438 20 0 FGADHM C[C@H](NC(=O)c1cn[n-]c1-c1ccccn1)c1nc(C(F)(F)F)cs1 ZINC000566593065 505215050 /nfs/dbraw/zinc/21/50/50/505215050.db2.gz VLRVHJGNJDZTKT-QMMMGPOBSA-N -1 3 367.356 3.438 20 0 FGADHM COc1cc(C(=O)N2CCN(Cc3ccc(Cl)cc3C)CC2)ccc1[O-] ZINC000560978513 505221101 /nfs/dbraw/zinc/22/11/01/505221101.db2.gz NFRAMVBKSIINGJ-UHFFFAOYSA-N -1 3 374.868 3.321 20 0 FGADHM CNC(=O)c1ccc(CN[C@]2(C(=O)[O-])CCC(C)(C)c3ccccc32)cc1 ZINC000551420611 505222288 /nfs/dbraw/zinc/22/22/88/505222288.db2.gz FUTNMSBCNBIJAO-JOCHJYFZSA-N -1 3 366.461 3.187 20 0 FGADHM [O-]c1ccc(Cc2nc([C@@H]3CN(Cc4ccccc4)CCO3)no2)cc1F ZINC000563785204 505237629 /nfs/dbraw/zinc/23/76/29/505237629.db2.gz GUQKHPAGSLTESV-SFHVURJKSA-N -1 3 369.396 3.079 20 0 FGADHM Cc1ccc(Cc2ccccn2)cc1-n1c([O-])c(CC(F)(F)F)[nH]c1=O ZINC000561058448 505240159 /nfs/dbraw/zinc/24/01/59/505240159.db2.gz KULVFJOCRHIUGE-CQSZACIVSA-N -1 3 363.339 3.358 20 0 FGADHM Cc1cc([N-]S(=O)(=O)c2ccc(C(F)F)cc2)ccc1OCCO ZINC000554688757 505240469 /nfs/dbraw/zinc/24/04/69/505240469.db2.gz YLFIXNAIAYKAGW-UHFFFAOYSA-N -1 3 357.378 3.105 20 0 FGADHM Cc1cccc(F)c1S(=O)(=O)[N-][C@H](CCO)c1ccc(Cl)cc1 ZINC000557856719 505247308 /nfs/dbraw/zinc/24/73/08/505247308.db2.gz DLLVUSOTFJLKJK-OAHLLOKOSA-N -1 3 357.834 3.190 20 0 FGADHM COC[C@]1(C(=O)[O-])CCCN(Cc2ncc(-c3cccc(Cl)c3)o2)C1 ZINC000563816664 505247435 /nfs/dbraw/zinc/24/74/35/505247435.db2.gz NQZLTQAOWJSFLA-SFHVURJKSA-N -1 3 364.829 3.308 20 0 FGADHM CCOc1ccc2nc(NC(=O)c3c[n-]c4ccncc4c3=O)sc2c1 ZINC000561090702 505248629 /nfs/dbraw/zinc/24/86/29/505248629.db2.gz AWWAQKGEJQIIBO-UHFFFAOYSA-N -1 3 366.402 3.184 20 0 FGADHM O=C(CCc1cncnc1)N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1 ZINC000551545305 505249542 /nfs/dbraw/zinc/24/95/42/505249542.db2.gz BEOLJWCQQSVUDE-UHFFFAOYSA-N -1 3 362.220 3.167 20 0 FGADHM CCOc1ccc([C@@H](C)NC(=O)c2cc(=O)[n-]c(C3CC3)n2)cc1OCC ZINC000561140874 505260738 /nfs/dbraw/zinc/26/07/38/505260738.db2.gz VWRYHKNVQUXFBE-GFCCVEGCSA-N -1 3 371.437 3.348 20 0 FGADHM O=C(N=c1cc2ccccn2[n-]1)c1nccnc1-c1nc2ccccc2s1 ZINC000561149097 505263832 /nfs/dbraw/zinc/26/38/32/505263832.db2.gz UUPUSJBZDACAOF-UHFFFAOYSA-N -1 3 372.413 3.075 20 0 FGADHM CN(C(=O)c1cccc(C(=O)N=c2cc3ccccn3[n-]2)c1)c1ccccc1 ZINC000561150380 505264289 /nfs/dbraw/zinc/26/42/89/505264289.db2.gz MJZHIQUZMKGYGJ-UHFFFAOYSA-N -1 3 370.412 3.285 20 0 FGADHM CC(C)n1c(CNC(=O)c2cc(=O)c3ccccc3[n-]2)nc2ccccc21 ZINC000554809773 505270321 /nfs/dbraw/zinc/27/03/21/505270321.db2.gz BVHDLLBVHRLBPX-UHFFFAOYSA-N -1 3 360.417 3.389 20 0 FGADHM CCOC(=O)c1cc([N-]C(=O)c2nc(C)ncc2Cl)c(F)cc1C ZINC000551679515 505281353 /nfs/dbraw/zinc/28/13/53/505281353.db2.gz ZCTOJWGGZXXIAJ-UHFFFAOYSA-N -1 3 351.765 3.315 20 0 FGADHM COc1ccc(CN2CC[C@@H](COC(F)F)C2)c(Br)c1[O-] ZINC000554876967 505287328 /nfs/dbraw/zinc/28/73/28/505287328.db2.gz AONMEHCZANZMQV-SECBINFHSA-N -1 3 366.202 3.224 20 0 FGADHM CCn1c2ccc(F)cc2nc1NC(=O)c1[n-]nc2c1cccc2OC ZINC000554882666 505288687 /nfs/dbraw/zinc/28/86/87/505288687.db2.gz DMUQPNPMISTAHL-UHFFFAOYSA-N -1 3 353.357 3.333 20 0 FGADHM CCn1c2ccc(F)cc2nc1NC(=O)c1n[n-]c2c1cccc2OC ZINC000554882666 505288692 /nfs/dbraw/zinc/28/86/92/505288692.db2.gz DMUQPNPMISTAHL-UHFFFAOYSA-N -1 3 353.357 3.333 20 0 FGADHM O=C(c1cc([O-])ccc1Cl)N1CCc2c(cnn2-c2ccccc2)C1 ZINC000551714737 505289652 /nfs/dbraw/zinc/28/96/52/505289652.db2.gz SGKGXXLXSRTLFH-UHFFFAOYSA-N -1 3 353.809 3.430 20 0 FGADHM Cc1ccc2c(ncc(C(=O)[O-])c2N2CCC[C@H](Cn3ccnn3)C2)c1C ZINC000566918983 505311982 /nfs/dbraw/zinc/31/19/82/505311982.db2.gz XTEUSXYCYQLLMB-HNNXBMFYSA-N -1 3 365.437 3.058 20 0 FGADHM CCc1cc(C(=O)N2CCN(c3cncc4ccccc43)CC2)ccc1[O-] ZINC000561315194 505312757 /nfs/dbraw/zinc/31/27/57/505312757.db2.gz GVEGCTXIFJHOPA-UHFFFAOYSA-N -1 3 361.445 3.465 20 0 FGADHM COC(=O)c1cc(C)nc(Sc2n[n-]c(-c3ccc(Cl)cc3)n2)n1 ZINC000561333567 505317053 /nfs/dbraw/zinc/31/70/53/505317053.db2.gz SIXHEKAQNQPBND-UHFFFAOYSA-N -1 3 361.814 3.161 20 0 FGADHM CCCc1c(NC(=O)Cc2cncc([O-])c2)cnn1-c1ccc(C)cc1 ZINC000564098919 505325900 /nfs/dbraw/zinc/32/59/00/505325900.db2.gz AXPPXEJCHDYYAM-UHFFFAOYSA-N -1 3 350.422 3.415 20 0 FGADHM Clc1cc2cc(-c3nc([C@@H]4CN(C5CC5)CCO4)no3)[n-]c2s1 ZINC000555005286 505326286 /nfs/dbraw/zinc/32/62/86/505326286.db2.gz LBJSEPVUBUCQLU-NSHDSACASA-N -1 3 350.831 3.469 20 0 FGADHM CCOCC(C)(C)C[N-]S(=O)(=O)c1sc(C)cc1Br ZINC000564101978 505326427 /nfs/dbraw/zinc/32/64/27/505326427.db2.gz HRXXHYPHXVJUPY-UHFFFAOYSA-N -1 3 370.334 3.160 20 0 FGADHM Cc1ccc(-c2nc(CNC(=O)c3c[n-]nc3-c3ccccn3)co2)cc1 ZINC000555058321 505337645 /nfs/dbraw/zinc/33/76/45/505337645.db2.gz IZIYGYNSRPKALI-UHFFFAOYSA-N -1 3 359.389 3.365 20 0 FGADHM CCSc1cccc(F)c1[N-]S(=O)(=O)c1ccc(C(=O)NC)cc1 ZINC000555144700 505362390 /nfs/dbraw/zinc/36/23/90/505362390.db2.gz RHMOSFQCRLLGHM-UHFFFAOYSA-N -1 3 368.455 3.098 20 0 FGADHM COc1cc(CCO)ccc1NCc1cc([O-])ccc1Br ZINC000558409351 505380336 /nfs/dbraw/zinc/38/03/36/505380336.db2.gz SBAIZSBWELXYKC-UHFFFAOYSA-N -1 3 352.228 3.310 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N[C@@H](C)c3c(F)cncc3F)c[n-]c12 ZINC000561572485 505380650 /nfs/dbraw/zinc/38/06/50/505380650.db2.gz PFTMDRQKGJKKTB-VIFPVBQESA-N -1 3 361.323 3.140 20 0 FGADHM CC[C@]([N-]S(=O)(=O)CCC1CCC1)(C(=O)OC)c1ccc(Cl)cc1 ZINC000558440113 505390663 /nfs/dbraw/zinc/39/06/63/505390663.db2.gz CMGXKPJLSCTWTC-QGZVFWFLSA-N -1 3 373.902 3.228 20 0 FGADHM COc1ccc(CNC2CCN(c3ccc(C(=O)[O-])cc3)CC2)c(F)c1 ZINC000567275296 505415496 /nfs/dbraw/zinc/41/54/96/505415496.db2.gz FDMXYTVNCIJIOI-UHFFFAOYSA-N -1 3 358.413 3.291 20 0 FGADHM COc1cccc2c(C(=O)Nc3nc(CC(F)(F)F)cs3)[n-]nc21 ZINC000561719340 505417547 /nfs/dbraw/zinc/41/75/47/505417547.db2.gz YKMAYYMYUGNZTK-UHFFFAOYSA-N -1 3 356.329 3.385 20 0 FGADHM COc1cccc2c(C(=O)Nc3nc(CC(F)(F)F)cs3)n[n-]c21 ZINC000561719340 505417549 /nfs/dbraw/zinc/41/75/49/505417549.db2.gz YKMAYYMYUGNZTK-UHFFFAOYSA-N -1 3 356.329 3.385 20 0 FGADHM O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1nc2cc(Br)ccc2[nH]1 ZINC000564460287 505426069 /nfs/dbraw/zinc/42/60/69/505426069.db2.gz CRQXQOXONSRYLU-ISOBSLSZSA-N -1 3 364.243 3.011 20 0 FGADHM O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1nc2ccc(Br)cc2[nH]1 ZINC000564460287 505426072 /nfs/dbraw/zinc/42/60/72/505426072.db2.gz CRQXQOXONSRYLU-ISOBSLSZSA-N -1 3 364.243 3.011 20 0 FGADHM O=S(=O)([N-][C@@H]1CCC[C@@H]1F)c1ccc(Cl)cc1Br ZINC000555456511 505435671 /nfs/dbraw/zinc/43/56/71/505435671.db2.gz YMLJXYHZBHHVDQ-VHSXEESVSA-N -1 3 356.644 3.271 20 0 FGADHM O=C(N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1)c1c[n-]nc1-c1ccccn1 ZINC000564524376 505441439 /nfs/dbraw/zinc/44/14/39/505441439.db2.gz GXQPQVQONRJVCE-QAPCUYQASA-N -1 3 366.396 3.261 20 0 FGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]CCc1ccc(F)cc1F ZINC000555504325 505442043 /nfs/dbraw/zinc/44/20/43/505442043.db2.gz RKLMRNZIDCIQFF-UHFFFAOYSA-N -1 3 361.797 3.148 20 0 FGADHM C[N-]S(=O)(=O)c1cc(NC(=O)c2cc3ccccc3s2)ccc1F ZINC000552261293 505444263 /nfs/dbraw/zinc/44/42/63/505444263.db2.gz SEMZYDHSZPWNMU-UHFFFAOYSA-N -1 3 364.423 3.201 20 0 FGADHM O=C(c1cc(F)cc2[n-]nnc21)N1CCC(COc2ccccc2)CC1 ZINC000558631552 505445800 /nfs/dbraw/zinc/44/58/00/505445800.db2.gz ASFVAUPENCSEGW-UHFFFAOYSA-N -1 3 354.385 3.028 20 0 FGADHM O=C(c1cc(F)cc2nn[n-]c21)N1CCC(COc2ccccc2)CC1 ZINC000558631552 505445803 /nfs/dbraw/zinc/44/58/03/505445803.db2.gz ASFVAUPENCSEGW-UHFFFAOYSA-N -1 3 354.385 3.028 20 0 FGADHM O=C(c1cc(F)cc2n[n-]nc21)N1CCC(COc2ccccc2)CC1 ZINC000558631552 505445808 /nfs/dbraw/zinc/44/58/08/505445808.db2.gz ASFVAUPENCSEGW-UHFFFAOYSA-N -1 3 354.385 3.028 20 0 FGADHM CCCCS(=O)(=O)[N-]Cc1nc([C@@H](c2cccc(C)c2)C(C)C)no1 ZINC000564559234 505452531 /nfs/dbraw/zinc/45/25/31/505452531.db2.gz RETGRYVWDFCFRI-QGZVFWFLSA-N -1 3 365.499 3.385 20 0 FGADHM COc1cccc(Cl)c1-c1noc(C)c1C(=O)[N-]c1nncn1C1CC1 ZINC000552322971 505460281 /nfs/dbraw/zinc/46/02/81/505460281.db2.gz KKNQQPIQHUDPCV-UHFFFAOYSA-N -1 3 373.800 3.491 20 0 FGADHM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]12 ZINC000564607365 505467579 /nfs/dbraw/zinc/46/75/79/505467579.db2.gz KLOQZNKPIJSNDP-RWMBFGLXSA-N -1 3 362.426 3.133 20 0 FGADHM CCC(C)(C)OCc1ccccc1[N-]S(=O)(=O)CC(C)(C)C(=O)OC ZINC000564605798 505467642 /nfs/dbraw/zinc/46/76/42/505467642.db2.gz RYBKXRPOHQVPTF-UHFFFAOYSA-N -1 3 371.499 3.333 20 0 FGADHM Cc1cccc(CCCNC(=O)Cc2ccc(Br)cc2[O-])n1 ZINC000552345419 505468247 /nfs/dbraw/zinc/46/82/47/505468247.db2.gz ZDLPVKWKDPNRJV-UHFFFAOYSA-N -1 3 363.255 3.150 20 0 FGADHM COc1nc(NC[C@@H](c2ccc(CC(C)C)cc2)N(C)C)ccc1C(=O)[O-] ZINC000567475370 505475361 /nfs/dbraw/zinc/47/53/61/505475361.db2.gz IAAQIKRXJFYYRT-SFHVURJKSA-N -1 3 371.481 3.124 20 0 FGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(NC(=O)C[C@@H]2CC[C@H]3C[C@H]32)ccc1F ZINC000564632605 505476408 /nfs/dbraw/zinc/47/64/08/505476408.db2.gz QSNBQDZLZBJNDV-SGMGOOAPSA-N -1 3 368.474 3.277 20 0 FGADHM O=C1[C@H](SCc2cc(=O)[n-]c(C3CC3)n2)CCN1c1ccccc1F ZINC000564644067 505480904 /nfs/dbraw/zinc/48/09/04/505480904.db2.gz PGEDEUCICARTSJ-OAHLLOKOSA-N -1 3 359.426 3.237 20 0 FGADHM O=S(=O)([N-]Cc1ccc(COc2ccccc2)cc1)c1ccccn1 ZINC000564673616 505488435 /nfs/dbraw/zinc/48/84/35/505488435.db2.gz VRNFDVPOPKMKDJ-UHFFFAOYSA-N -1 3 354.431 3.139 20 0 FGADHM O=S(=O)(CC12CCC(CC1)CC2)[N-]Cc1noc(-c2cccs2)n1 ZINC000555750713 505506237 /nfs/dbraw/zinc/50/62/37/505506237.db2.gz VHIRBDJTEBPCII-UHFFFAOYSA-N -1 3 367.496 3.188 20 0 FGADHM COCCOC1CCN(Cc2c(C(=O)[O-])sc3cccc(F)c32)CC1 ZINC000567620062 505516621 /nfs/dbraw/zinc/51/66/21/505516621.db2.gz NNVILVLJYDXFEM-UHFFFAOYSA-N -1 3 367.442 3.366 20 0 FGADHM Cc1nc(-c2ccc(NC(=O)NC[C@@H]3CCCSC3)cc2)cc(=O)[n-]1 ZINC000562107016 505519737 /nfs/dbraw/zinc/51/97/37/505519737.db2.gz RCNHPSLHZMEZMX-ZDUSSCGKSA-N -1 3 358.467 3.422 20 0 FGADHM CCc1ccc([O-])c(C(=O)Nc2nnn(Cc3ccccc3F)c2C)c1 ZINC000558909805 505528234 /nfs/dbraw/zinc/52/82/34/505528234.db2.gz WLUSWYKKORODLJ-UHFFFAOYSA-N -1 3 354.385 3.294 20 0 FGADHM O=C([N-]c1nnc(Cc2cccc(Cl)c2)s1)c1cn(CC2CC2)nn1 ZINC000567681815 505535073 /nfs/dbraw/zinc/53/50/73/505535073.db2.gz RISCGDWJCGQXDQ-UHFFFAOYSA-N -1 3 374.857 3.036 20 0 FGADHM CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000558961027 505539927 /nfs/dbraw/zinc/53/99/27/505539927.db2.gz ANPZVPYYYWNDDY-NVXWUHKLSA-N -1 3 354.454 3.047 20 0 FGADHM CC[C@@H](C)Oc1cccc([N-]S(=O)(=O)CCOCC(F)(F)F)c1 ZINC000562227201 505544861 /nfs/dbraw/zinc/54/48/61/505544861.db2.gz RDARSDCPHZXTBT-LLVKDONJSA-N -1 3 355.378 3.185 20 0 FGADHM CC1(C)Cc2ccc(C(=O)N3CC[C@H](n4cc(Cl)cn4)C3)c([O-])c2O1 ZINC000562270721 505558191 /nfs/dbraw/zinc/55/81/91/505558191.db2.gz TXHJHRRVMVRGIY-ZDUSSCGKSA-N -1 3 361.829 3.043 20 0 FGADHM C[C@H](c1cn(-c2ccccc2)nn1)N1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000564965430 505564046 /nfs/dbraw/zinc/56/40/46/505564046.db2.gz IFJWHEGLNZXWOE-LZQZEXGQSA-N -1 3 362.433 3.129 20 0 FGADHM CC1(C)[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)[C@H]2CCCO[C@@H]21 ZINC000608032801 506384917 /nfs/dbraw/zinc/38/49/17/506384917.db2.gz IOPILQHCJLQUEF-HONMWMINSA-N -1 3 364.294 3.475 20 0 FGADHM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-][C@H](C)[C@H]2CCOC2)c1Cl ZINC000608033261 506386534 /nfs/dbraw/zinc/38/65/34/506386534.db2.gz BCDWLVWLXSYDSV-MNOVXSKESA-N -1 3 352.283 3.314 20 0 FGADHM CC[C@@H](C)C[C@H](C)[N-]S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2 ZINC000608039144 506388784 /nfs/dbraw/zinc/38/87/84/506388784.db2.gz CYCYOEPWLPIPBL-MNOVXSKESA-N -1 3 358.891 3.328 20 0 FGADHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CCC[C@H]1Cc1cc(F)ccc1F ZINC000582796149 506424791 /nfs/dbraw/zinc/42/47/91/506424791.db2.gz KTOURXLWQBLCMU-AWEZNQCLSA-N -1 3 359.376 3.185 20 0 FGADHM CSc1ccc([O-])c(C(=O)N(CCN(C)C)Cc2cccs2)c1 ZINC000612085429 506426532 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FGADHM Cc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3ccc(Cl)cc3)n2)o1 ZINC000583672917 506906778 /nfs/dbraw/zinc/90/67/78/506906778.db2.gz GHCFDZCNSLRFRF-SNVBAGLBSA-N -1 3 367.814 3.331 20 0 FGADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(F)ccc2Cl)cc1F ZINC000583673194 506907067 /nfs/dbraw/zinc/90/70/67/506907067.db2.gz XLVGFDPMNRPQNN-UHFFFAOYSA-N -1 3 361.753 3.206 20 0 FGADHM CC(C)(C)C1CC(c2nc(-c3ccc([C@]4(C)NC(=O)[N-]C4=O)cc3)no2)C1 ZINC000583684285 506915133 /nfs/dbraw/zinc/91/51/33/506915133.db2.gz RBCIPURLIFDLOX-KBDARXMYSA-N -1 3 368.437 3.331 20 0 FGADHM COc1cccc(S(=O)(=O)[N-]c2cc(C[S@](C)=O)ccc2Cl)c1 ZINC000609761528 506991964 /nfs/dbraw/zinc/99/19/64/506991964.db2.gz RXACUICDGSFIKL-QFIPXVFZSA-N -1 3 373.883 3.028 20 0 FGADHM Cc1ccc([C@H]([N-]S(=O)(=O)C2COC2)c2ccc(F)cc2Cl)cc1 ZINC000583848220 507006144 /nfs/dbraw/zinc/00/61/44/507006144.db2.gz WJLYHURWCJVMAG-KRWDZBQOSA-N -1 3 369.845 3.195 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@@H]3CCc4ccccc4C3)nc2)n1 ZINC000604995761 507025647 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CCOC(=O)c1[n-]c(C)nc1NC(=O)COc1cc(C(C)C)ccc1C ZINC000610108939 507102944 /nfs/dbraw/zinc/10/29/44/507102944.db2.gz QBOIAWFXNQQFGN-UHFFFAOYSA-N -1 3 359.426 3.344 20 0 FGADHM CCOC(=O)c1nc(C)[n-]c1NC(=O)COc1cc(C(C)C)ccc1C ZINC000610108939 507102948 /nfs/dbraw/zinc/10/29/48/507102948.db2.gz QBOIAWFXNQQFGN-UHFFFAOYSA-N -1 3 359.426 3.344 20 0 FGADHM CSc1ccc([O-])c(C(=O)N(CC(=O)OC(C)(C)C)CC2CC2)c1 ZINC000597810771 507114105 /nfs/dbraw/zinc/11/41/05/507114105.db2.gz JHXPVPJZMWUYRR-UHFFFAOYSA-N -1 3 351.468 3.308 20 0 FGADHM CCOC(=O)c1ccc(NC(=O)C[C@H](C)C(=O)c2ccccc2)c([O-])c1 ZINC000610139697 507114976 /nfs/dbraw/zinc/11/49/76/507114976.db2.gz IPPLEJFJGBPWMT-ZDUSSCGKSA-N -1 3 355.390 3.417 20 0 FGADHM CCc1cccc(C(=O)N[C@@H](Cc2ccncc2)C(=O)OC(C)(C)C)c1[O-] ZINC000594427544 507127778 /nfs/dbraw/zinc/12/77/78/507127778.db2.gz YHOXGTIOZQQVEE-KRWDZBQOSA-N -1 3 370.449 3.032 20 0 FGADHM CCO[C@H]1C[C@](NCc2cc(Cl)c(OC)c(OC)c2)(C(=O)[O-])C1(C)C ZINC000584067718 507134178 /nfs/dbraw/zinc/13/41/78/507134178.db2.gz DJKSSALTPMHQEO-KSSFIOAISA-N -1 3 371.861 3.105 20 0 FGADHM CCOC(=O)c1cnc(C)c(C(=O)[N-]c2nnc(CCC(C)C)s2)c1 ZINC000597870936 507145697 /nfs/dbraw/zinc/14/56/97/507145697.db2.gz AZXFJDVZDLZZJL-UHFFFAOYSA-N -1 3 362.455 3.259 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(NCCc3cccc4cccnc43)nc2)n1 ZINC000597903133 507164010 /nfs/dbraw/zinc/16/40/10/507164010.db2.gz IESYJYFYLVLJIG-UHFFFAOYSA-N -1 3 371.444 3.431 20 0 FGADHM c1cc(-c2noc(-c3ccc(N4CCCCCC4)nc3)n2)cc2n[n-]nc12 ZINC000584148356 507178914 /nfs/dbraw/zinc/17/89/14/507178914.db2.gz MLGPZNJCLIOPFK-UHFFFAOYSA-N -1 3 361.409 3.450 20 0 FGADHM CC(C)(C)OC(=O)C[C@H](NCc1csc(C(F)(F)F)c1)C(=O)[O-] ZINC000600941860 507201878 /nfs/dbraw/zinc/20/18/78/507201878.db2.gz MAOAHRYSDYRGEH-VIFPVBQESA-N -1 3 353.362 3.042 20 0 FGADHM CC(=O)c1cc(F)c([N-]C(=O)c2cnn3c2C[C@@H](C)CC3)c(F)c1F ZINC000584233158 507228356 /nfs/dbraw/zinc/22/83/56/507228356.db2.gz NMTMXEGDKAVFLD-QMMMGPOBSA-N -1 3 351.328 3.338 20 0 FGADHM CCOc1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1CCC[C@H]1C ZINC000591398981 507234984 /nfs/dbraw/zinc/23/49/84/507234984.db2.gz HWBTTWYADOZWNC-ZYHUDNBSSA-N -1 3 362.289 3.315 20 0 FGADHM CSc1ccc([O-])c(C(=O)NC[C@]2(O)CCC[C@H](C(F)(F)F)C2)c1 ZINC000613774045 507252752 /nfs/dbraw/zinc/25/27/52/507252752.db2.gz LDXPQWFVWAQAMU-BONVTDFDSA-N -1 3 363.401 3.328 20 0 FGADHM COc1ccccc1-c1cc(=NC(=O)c2ccc(Cl)cc2OC)[nH][n-]1 ZINC000591449100 507253946 /nfs/dbraw/zinc/25/39/46/507253946.db2.gz LWWNVXXQLPTKTJ-UHFFFAOYSA-N -1 3 357.797 3.422 20 0 FGADHM CCCCO[C@H](C)C(=O)Nc1cc(I)ccc1[O-] ZINC000610485686 507258070 /nfs/dbraw/zinc/25/80/70/507258070.db2.gz ZFKFYWOQCBRUPR-SECBINFHSA-N -1 3 363.195 3.141 20 0 FGADHM O=C(N[C@H]1CCCC[C@H]1Cc1ccccc1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000591458413 507258648 /nfs/dbraw/zinc/25/86/48/507258648.db2.gz KIFPSDGUWNQCRY-KXBFYZLASA-N -1 3 362.429 3.102 20 0 FGADHM O=C(Nc1cc(I)ccc1[O-])c1ccc(Cl)o1 ZINC000610490367 507259522 /nfs/dbraw/zinc/25/95/22/507259522.db2.gz NHYIPKUNMGWZRK-UHFFFAOYSA-N -1 3 363.538 3.496 20 0 FGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@H]1CCCC12CCCCC2 ZINC000594793735 507282004 /nfs/dbraw/zinc/28/20/04/507282004.db2.gz ZLGHNLSSAZCCAE-ZDUSSCGKSA-N -1 3 357.497 3.316 20 0 FGADHM O=S(=O)([N-][C@@H](c1cccs1)c1ccc2c(c1)CCCC2)c1c[nH]cn1 ZINC000605773760 507282941 /nfs/dbraw/zinc/28/29/41/507282941.db2.gz BIGFNYHYOLVRTL-GOSISDBHSA-N -1 3 373.503 3.418 20 0 FGADHM O=S(=O)([N-][C@H](CCCc1ccccc1)c1ccccc1)c1c[nH]cn1 ZINC000605773947 507283317 /nfs/dbraw/zinc/28/33/17/507283317.db2.gz XZXVINHJYKWXKZ-GOSISDBHSA-N -1 3 355.463 3.452 20 0 FGADHM COC(=O)C[C@@H]([N-]S(=O)(=O)CC1(C)CCCCC1)c1cccs1 ZINC000613906078 507296515 /nfs/dbraw/zinc/29/65/15/507296515.db2.gz YHSUTIAESGLAJS-CYBMUJFWSA-N -1 3 359.513 3.242 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]c2ccc(OC[C@@H]3CCCO3)cc2)ccc1F ZINC000591797403 507362852 /nfs/dbraw/zinc/36/28/52/507362852.db2.gz ZIIKKFSDTOUWNH-INIZCTEOSA-N -1 3 365.426 3.493 20 0 FGADHM CC(C)(Oc1ccc(Br)cc1)C(=O)NCc1ncccc1[O-] ZINC000614254393 507430063 /nfs/dbraw/zinc/43/00/63/507430063.db2.gz HCCYBZBCSRDGSW-UHFFFAOYSA-N -1 3 365.227 3.024 20 0 FGADHM CCOC(=O)CCC1CCN(C(=O)c2c[n-]c3c(C)cccc3c2=O)CC1 ZINC000614270589 507436610 /nfs/dbraw/zinc/43/66/10/507436610.db2.gz RTWGOANITYFGSQ-UHFFFAOYSA-N -1 3 370.449 3.032 20 0 FGADHM COc1ccccc1-c1cc(=NC(=O)[C@H](C)Cc2ccccc2F)[nH][n-]1 ZINC000606531334 507436905 /nfs/dbraw/zinc/43/69/05/507436905.db2.gz RDSGOEBWQAZAIM-CYBMUJFWSA-N -1 3 353.397 3.464 20 0 FGADHM CCOc1cc2c(cc1[C@@H]1C[C@@H]1NC(=O)c1cccc([O-])c1)O[C@@H](C)C2 ZINC000584673822 507442761 /nfs/dbraw/zinc/44/27/61/507442761.db2.gz CNGIMDCMKWQTIM-IWEFOYFVSA-N -1 3 353.418 3.400 20 0 FGADHM Cc1ccc([O-])c(C(=O)N[C@H]2CCc3nc(-c4ccccc4)ncc3C2)c1 ZINC000614411703 507501638 /nfs/dbraw/zinc/50/16/38/507501638.db2.gz GXXXUFFVDVNMEA-KRWDZBQOSA-N -1 3 359.429 3.445 20 0 FGADHM CC(=O)c1ccc(C(=O)NC[C@@H](C(=O)OC(C)(C)C)C2CCC2)cc1[O-] ZINC000598581112 507505016 /nfs/dbraw/zinc/50/50/16/507505016.db2.gz OVUXFSNYFWXVJZ-MRXNPFEDSA-N -1 3 361.438 3.083 20 0 FGADHM CC1CCN([C@@H](CN=c2[n-]c(C3CCOCC3)no2)c2ccccc2)CC1 ZINC000584825958 507527025 /nfs/dbraw/zinc/52/70/25/507527025.db2.gz DLKOLAPSAKTXHP-IBGZPJMESA-N -1 3 370.497 3.271 20 0 FGADHM COc1cccc2c(C(=O)Nc3csc(-c4ccncc4)n3)[n-]nc21 ZINC000584865655 507546423 /nfs/dbraw/zinc/54/64/23/507546423.db2.gz FUIIGYPJMGOTJL-UHFFFAOYSA-N -1 3 351.391 3.342 20 0 FGADHM COc1cccc2c(C(=O)Nc3csc(-c4ccncc4)n3)n[n-]c21 ZINC000584865655 507546426 /nfs/dbraw/zinc/54/64/26/507546426.db2.gz FUIIGYPJMGOTJL-UHFFFAOYSA-N -1 3 351.391 3.342 20 0 FGADHM COC(=O)C1(N(Cc2nc3c4ccccc4oc3c(=O)[n-]2)C2CC2)CCC1 ZINC000595537953 507548834 /nfs/dbraw/zinc/54/88/34/507548834.db2.gz IXWFIFKJMXFCFA-UHFFFAOYSA-N -1 3 367.405 3.142 20 0 FGADHM O=C(c1ccc2[nH][n-]c(=O)c2c1)N1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000614528603 507552076 /nfs/dbraw/zinc/55/20/76/507552076.db2.gz MSXOXJXSQKEJFL-ZDUSSCGKSA-N -1 3 353.344 3.463 20 0 FGADHM CCC1(CC)CN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)CC[S@]1=O ZINC000598697322 507557372 /nfs/dbraw/zinc/55/73/72/507557372.db2.gz KRPAAUNVWYEBJU-XMMPIXPASA-N -1 3 363.401 3.174 20 0 FGADHM Cc1ccccc1-c1cc(=NC(=O)CCc2nc(-c3ccoc3)no2)[nH][n-]1 ZINC000606931333 507560599 /nfs/dbraw/zinc/56/05/99/507560599.db2.gz QGWRCJBGSIRGJC-UHFFFAOYSA-N -1 3 363.377 3.021 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)C[C@H](C)C(=O)c3ccccc3)[n-]c21 ZINC000611213951 507564818 /nfs/dbraw/zinc/56/48/18/507564818.db2.gz SCHPYGAHBGQQGF-LBPRGKRZSA-N -1 3 365.389 3.197 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)C[C@H](C)C(=O)c3ccccc3)nc21 ZINC000611213951 507564824 /nfs/dbraw/zinc/56/48/24/507564824.db2.gz SCHPYGAHBGQQGF-LBPRGKRZSA-N -1 3 365.389 3.197 20 0 FGADHM COC(=O)C1CCC(NC(=O)c2c[n-]nc2-c2ccc(Cl)s2)CC1 ZINC000614619006 507588910 /nfs/dbraw/zinc/58/89/10/507588910.db2.gz OBJDNMOKQZGWED-UHFFFAOYSA-N -1 3 367.858 3.253 20 0 FGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)C1C[C@H]2CCCC[C@@H](C1)C2=O ZINC000602299429 507660309 /nfs/dbraw/zinc/66/03/09/507660309.db2.gz WRZXHIREGVKQJY-FUNVUKJBSA-N -1 3 362.426 3.138 20 0 FGADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)COc2ccccc2C)[nH][n-]1 ZINC000586760509 507662077 /nfs/dbraw/zinc/66/20/77/507662077.db2.gz WRGZARHJKQCAHF-UHFFFAOYSA-N -1 3 371.824 3.487 20 0 FGADHM COc1c(Br)cccc1CNCCSC[C@H](C)C(=O)[O-] ZINC000592461894 507665818 /nfs/dbraw/zinc/66/58/18/507665818.db2.gz OCYBWQXUSAQUSL-JTQLQIEISA-N -1 3 362.289 3.001 20 0 FGADHM CCOC(=O)C[C@H](NC(=O)c1ccc([O-])c(C)c1)c1cccc(OC)c1 ZINC000611527506 507723129 /nfs/dbraw/zinc/72/31/29/507723129.db2.gz HVCVASOHFTXODO-KRWDZBQOSA-N -1 3 357.406 3.134 20 0 FGADHM Cn1c2cc([O-])c(NC(=O)c3cccc(C4CCCC4)c3)cc2n(C)c1=O ZINC000615063587 507738785 /nfs/dbraw/zinc/73/87/85/507738785.db2.gz LWWAJKCKSKDWPL-UHFFFAOYSA-N -1 3 365.433 3.493 20 0 FGADHM CSCc1cccnc1C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000592647389 507747489 /nfs/dbraw/zinc/74/74/89/507747489.db2.gz RBRLZCZEBBLTSZ-UHFFFAOYSA-N -1 3 364.780 3.031 20 0 FGADHM COC(=O)c1cc(Cl)cc(NC(=O)[C@@H]2CCC(=O)[C@H](C)C2(C)C)c1[O-] ZINC000588096370 507760145 /nfs/dbraw/zinc/76/01/45/507760145.db2.gz AFXDYJFUCOCOQL-CABZTGNLSA-N -1 3 367.829 3.412 20 0 FGADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)[C@H]1C[C@H]1C1CCCCC1 ZINC000607650512 507784042 /nfs/dbraw/zinc/78/40/42/507784042.db2.gz JOQZSRUUMXTMDR-OALUTQOASA-N -1 3 370.493 3.329 20 0 FGADHM COc1cc(OC)c(C(=O)N=c2cc(-c3ccccc3)[n-][nH]2)cc1OC ZINC000497867814 514664830 /nfs/dbraw/zinc/66/48/30/514664830.db2.gz GMWRDMWMBCOSGF-UHFFFAOYSA-N -1 3 353.378 3.355 20 0 FGADHM Cc1nc(-c2ccc(NC(=O)Nc3ccn(CC(F)F)n3)cc2)cc(=O)[n-]1 ZINC000484621588 514714596 /nfs/dbraw/zinc/71/45/96/514714596.db2.gz AKPYWSLTAACFNA-UHFFFAOYSA-N -1 3 374.351 3.263 20 0 FGADHM Cc1cccc2[nH]c(=NCc3ccc([C@@]4(C)NC(=O)[N-]C4=O)cc3)sc21 ZINC000479994783 514801354 /nfs/dbraw/zinc/80/13/54/514801354.db2.gz SDSIMUMSBRDEHI-LJQANCHMSA-N -1 3 366.446 3.271 20 0 FGADHM CN1CCC(NC(=O)N=c2[n-]nc(-c3ccc(Cl)cc3F)s2)CC1 ZINC000471313054 514836688 /nfs/dbraw/zinc/83/66/88/514836688.db2.gz FDJRHISBLVAQLC-UHFFFAOYSA-N -1 3 369.853 3.213 20 0 FGADHM C[C@H](NC(=O)N=c1[n-]nc(C(F)(F)F)s1)[C@@H](c1ccccc1)N(C)C ZINC000508904183 514949207 /nfs/dbraw/zinc/94/92/07/514949207.db2.gz YWKGALUAFSBAFE-ONGXEEELSA-N -1 3 373.404 3.370 20 0 FGADHM C[C@@H](C(=O)N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1)n1cncn1 ZINC000503574477 515086010 /nfs/dbraw/zinc/08/60/10/515086010.db2.gz XZGLUFOVRNEZIU-QMMMGPOBSA-N -1 3 351.197 3.175 20 0 FGADHM C[C@@H](NC(=O)N=c1ccc(C(F)(F)F)n[n-]1)[C@H](c1ccccc1)N(C)C ZINC000481330870 515292421 /nfs/dbraw/zinc/29/24/21/515292421.db2.gz NOSOQZGKYTVJPV-IAQYHMDHSA-N -1 3 367.375 3.308 20 0 FGADHM Cc1cc(OCC(=O)N=c2cc(OC(F)F)n(C)[n-]2)cc(C)c1Cl ZINC000490979353 515348183 /nfs/dbraw/zinc/34/81/83/515348183.db2.gz XMVHJGNDAVNQPT-UHFFFAOYSA-N -1 3 359.760 3.309 20 0 FGADHM Cn1[n-]c(=NC(=O)C(C)(C)Oc2cccc(Cl)c2)cc1OC(F)F ZINC000491003075 515354420 /nfs/dbraw/zinc/35/44/20/515354420.db2.gz MDGRFYUFBXKAEW-UHFFFAOYSA-N -1 3 359.760 3.471 20 0 FGADHM CCc1[n-][nH]c(=NC(=O)[C@H]2CCCN2c2ncnc3sc(C)cc32)c1C ZINC000477206532 515368794 /nfs/dbraw/zinc/36/87/94/515368794.db2.gz OCQHHOWLRUGNHD-CQSZACIVSA-N -1 3 370.482 3.201 20 0 FGADHM CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)N=c1cc(OC(F)F)n(C)[n-]1 ZINC000491078085 515373530 /nfs/dbraw/zinc/37/35/30/515373530.db2.gz HBNYBOWWCZYQGO-UPJWGTAASA-N -1 3 359.417 3.437 20 0 FGADHM Cc1cc(C)cc(-c2n[n-]c(=NC(=O)N[C@@H]3CCCN(C)[C@H]3C)s2)c1 ZINC000481966703 515529654 /nfs/dbraw/zinc/52/96/54/515529654.db2.gz HVSCMQCJELDYJL-DZGCQCFKSA-N -1 3 359.499 3.426 20 0 FGADHM CN(Cc1nccs1)C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482110694 515577524 /nfs/dbraw/zinc/57/75/24/515577524.db2.gz ADDIHTALJDCIIH-UHFFFAOYSA-N -1 3 366.244 3.217 20 0 FGADHM CCC(O)(CC)CCNC(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482141869 515585902 /nfs/dbraw/zinc/58/59/02/515585902.db2.gz NNDXOTNJISBLIP-UHFFFAOYSA-N -1 3 369.263 3.160 20 0 FGADHM O=C(Cc1cc(Br)ccc1F)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000473847185 515773326 /nfs/dbraw/zinc/77/33/26/515773326.db2.gz BXSQYTJWAYZUHP-CYBMUJFWSA-N -1 3 368.206 3.344 20 0 FGADHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1cnn2c1nccc2-c1ccccc1 ZINC000473855114 515777649 /nfs/dbraw/zinc/77/76/49/515777649.db2.gz LVUZJJCQKQQBBD-KRWDZBQOSA-N -1 3 374.404 3.223 20 0 FGADHM CCN=c1[n-]c(C(=O)NCc2cc(Br)ccc2F)cs1 ZINC000478447514 515826373 /nfs/dbraw/zinc/82/63/73/515826373.db2.gz KPRXQXAXTQRMKG-UHFFFAOYSA-N -1 3 358.236 3.407 20 0 FGADHM CO[C@@H](C(=O)N=c1cc2ccc(Br)cn2[n-]1)c1ccccc1 ZINC000511283591 515852760 /nfs/dbraw/zinc/85/27/60/515852760.db2.gz WEIJIJQCUYDIFS-OAHLLOKOSA-N -1 3 360.211 3.423 20 0 FGADHM O=C(Cn1cnc2ccccc21)N=c1cc2ccc(Br)cn2[n-]1 ZINC000511332233 515867534 /nfs/dbraw/zinc/86/75/34/515867534.db2.gz IEAIXOKCHOTZHS-UHFFFAOYSA-N -1 3 370.210 3.085 20 0 FGADHM Cc1cc(C)c2ncc(C(=O)N=c3ccn(CC(F)(F)F)[nH]3)c([O-])c2c1 ZINC000483268114 516011057 /nfs/dbraw/zinc/01/10/57/516011057.db2.gz JFCZYMRBPAXMHW-UHFFFAOYSA-N -1 3 364.327 3.156 20 0 FGADHM O=C(Nc1nnc(-c2c(F)cccc2F)[n-]1)c1ccc(NCC2CC2)nc1 ZINC000506970521 516038732 /nfs/dbraw/zinc/03/87/32/516038732.db2.gz IQRVDOCKNYEPRD-UHFFFAOYSA-N -1 3 370.363 3.219 20 0 FGADHM O=C(Nc1nc(-c2c(F)cccc2F)n[n-]1)c1ccc(NCC2CC2)nc1 ZINC000506970521 516038738 /nfs/dbraw/zinc/03/87/38/516038738.db2.gz IQRVDOCKNYEPRD-UHFFFAOYSA-N -1 3 370.363 3.219 20 0 FGADHM O=C(Nc1n[n-]c(-c2c(F)cccc2F)n1)c1ccc(NCC2CC2)nc1 ZINC000506970521 516038744 /nfs/dbraw/zinc/03/87/44/516038744.db2.gz IQRVDOCKNYEPRD-UHFFFAOYSA-N -1 3 370.363 3.219 20 0 FGADHM Cc1c(CC(=O)N=c2cc(-c3ccccc3)[n-][nH]2)nnn1-c1ccc(C)cc1 ZINC000497579054 516327102 /nfs/dbraw/zinc/32/71/02/516327102.db2.gz PKXXPVTYLZHZQP-UHFFFAOYSA-N -1 3 372.432 3.455 20 0 FGADHM CCN(CC)C[C@H](C)NC(=O)N=c1[n-]nc(Cc2ccc(C)cc2)s1 ZINC000518683334 516740922 /nfs/dbraw/zinc/74/09/22/516740922.db2.gz RJQGOZFTOLWQGZ-AWEZNQCLSA-N -1 3 361.515 3.289 20 0 FGADHM CCc1[n-][nH]c(=NC(=O)[C@H](C)OCC(C)C)c1-c1ccc2c(c1)OCO2 ZINC000525262915 516984077 /nfs/dbraw/zinc/98/40/77/516984077.db2.gz TWLHFBYIJSGVIF-LBPRGKRZSA-N -1 3 359.426 3.367 20 0 FGADHM Cc1noc2nc(C3CC3)cc(C(=O)N=c3cc([C@@H]4CCCO4)[n-][nH]3)c12 ZINC000526960717 517411782 /nfs/dbraw/zinc/41/17/82/517411782.db2.gz UDZUATSZAUEOSN-AWEZNQCLSA-N -1 3 353.382 3.236 20 0 FGADHM O=C(CCc1ncc(-c2ccccc2)o1)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000526959838 517411939 /nfs/dbraw/zinc/41/19/39/517411939.db2.gz LWMRECMZQJPOJT-OAHLLOKOSA-N -1 3 352.394 3.488 20 0 FGADHM CCc1[n-][nH]c(=NC(=O)[C@H]2[C@@H](C)[C@H](C)O[C@H]2C)c1-c1ccc2c(c1)OCO2 ZINC000530263199 517665389 /nfs/dbraw/zinc/66/53/89/517665389.db2.gz MQDDAFQORMAMTB-UWCDFFNFSA-N -1 3 371.437 3.366 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@@H]2[C@@H](C)[C@@H]2C2CC2)c1-c1ccc2c(c1)OCCO2 ZINC000530265959 517667529 /nfs/dbraw/zinc/66/75/29/517667529.db2.gz LZAZBNVXBLIYEP-LZVXQISVSA-N -1 3 353.422 3.387 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)C2CCN(C(=O)C(C)C)CC2)c1-c1ccc(F)cc1 ZINC000530273256 517670320 /nfs/dbraw/zinc/67/03/20/517670320.db2.gz IABJKIZQGANFIR-UHFFFAOYSA-N -1 3 372.444 3.357 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)c1-c1ccc(C)cc1 ZINC000530272091 517672046 /nfs/dbraw/zinc/67/20/46/517672046.db2.gz JTRDDVRXOPEWQM-QGZVFWFLSA-N -1 3 366.465 3.281 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@@H]2CC(=O)N[C@H]3CCCC[C@H]23)c1-c1ccc(F)cc1 ZINC000530277668 517673661 /nfs/dbraw/zinc/67/36/61/517673661.db2.gz WOYGSJCOEUSTJR-OAGGEKHMSA-N -1 3 370.428 3.158 20 0 FGADHM COc1cc(=NC(=O)CCCCCC(=O)c2ccc(OC)cc2)[n-]n1C ZINC000530511556 517821764 /nfs/dbraw/zinc/82/17/64/517821764.db2.gz SREKECZOCAKXCP-UHFFFAOYSA-N -1 3 359.426 3.209 20 0 FGADHM CCC[C@H](C)c1cc(=NC(=O)CCNC(=O)c2ccc(C)cc2[O-])[nH][nH]1 ZINC000608441886 519981756 /nfs/dbraw/zinc/98/17/56/519981756.db2.gz YBSMUEUHQLRLJO-ZDUSSCGKSA-N -1 3 358.442 3.086 20 0 FGADHM O=C(CCOc1ccc(F)c(Cl)c1)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000616827049 520164549 /nfs/dbraw/zinc/16/45/49/520164549.db2.gz YHZXGOADYZDEMY-AWEZNQCLSA-N -1 3 353.781 3.461 20 0 FGADHM CC[C@@H]1CCCC[C@@H]1C(=O)N=c1[n-]n(C)cc1I ZINC000602384929 521310876 /nfs/dbraw/zinc/31/08/76/521310876.db2.gz BQCYEIHVSZTXAD-ZJUUUORDSA-N -1 3 361.227 3.180 20 0 FGADHM Cc1cn2c(n1)C[C@H](C(=O)N=c1[nH][n-]c(C)c1-c1ccccc1F)CC2 ZINC000630024725 522589551 /nfs/dbraw/zinc/58/95/51/522589551.db2.gz OKWKTYORTSZOSU-CYBMUJFWSA-N -1 3 353.401 3.230 20 0 FGADHM COc1cccc(C(=O)CCCC(=O)N=c2cc(OC(F)F)n(C)[n-]2)c1 ZINC000501527058 561599710 /nfs/dbraw/zinc/59/97/10/561599710.db2.gz FWGDOCOMXQYSDV-UHFFFAOYSA-N -1 3 367.352 3.022 20 0 FGADHM O=C(N=c1ccc(C(F)(F)F)n[n-]1)NC[C@H]1CCN1C1CCCCC1 ZINC000529063090 562358512 /nfs/dbraw/zinc/35/85/12/562358512.db2.gz IJTKAPZKGHXYHT-GFCCVEGCSA-N -1 3 357.380 3.024 20 0 FGADHM CC(C)(C)c1ncc2c(n1)CCN(C(=O)N=c1cc3ccccn3[n-]1)C2 ZINC000529092081 562359854 /nfs/dbraw/zinc/35/98/54/562359854.db2.gz JGGYCEVTSWNQDX-UHFFFAOYSA-N -1 3 350.426 3.012 20 0 FGADHM COCCC1CCN(C(=O)NCc2ccc([O-])c(Br)c2)CC1 ZINC000636942524 568216223 /nfs/dbraw/zinc/21/62/23/568216223.db2.gz HRQRFSXGKGYFST-UHFFFAOYSA-N -1 3 371.275 3.113 20 0 FGADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CC(C2CC2)C1 ZINC000643287582 568539038 /nfs/dbraw/zinc/53/90/38/568539038.db2.gz RPEOXLIKZYBKPP-FQEVSTJZSA-N -1 3 364.445 3.122 20 0 FGADHM CC(C)[C@H](C)CNC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000735699624 598836853 /nfs/dbraw/zinc/83/68/53/598836853.db2.gz BHQIINNOMGMDPO-CYBMUJFWSA-N -1 3 366.425 3.076 20 0 FGADHM CC(C)[C@H](C)CNC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000735699624 598836855 /nfs/dbraw/zinc/83/68/55/598836855.db2.gz BHQIINNOMGMDPO-CYBMUJFWSA-N -1 3 366.425 3.076 20 0 FGADHM CC[C@@H](c1ccncc1)N(CC)C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000736397802 598838874 /nfs/dbraw/zinc/83/88/74/598838874.db2.gz VUUBQHHSCALXSI-LPADLIQXSA-N -1 3 362.437 3.275 20 0 FGADHM CC[C@@H](c1ccncc1)N(CC)C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000736397802 598838875 /nfs/dbraw/zinc/83/88/75/598838875.db2.gz VUUBQHHSCALXSI-LPADLIQXSA-N -1 3 362.437 3.275 20 0 FGADHM CC[C@H](c1ccncc1)N(CC)C(=O)C=Cc1cccc(-c2nnn[n-]2)c1 ZINC000736395963 598838986 /nfs/dbraw/zinc/83/89/86/598838986.db2.gz KTKDKGYUCPLJBF-CNZFZVQHSA-N -1 3 362.437 3.275 20 0 FGADHM CC[C@H](c1ccncc1)N(CC)C(=O)C=Cc1cccc(-c2nn[n-]n2)c1 ZINC000736395963 598838989 /nfs/dbraw/zinc/83/89/89/598838989.db2.gz KTKDKGYUCPLJBF-CNZFZVQHSA-N -1 3 362.437 3.275 20 0 FGADHM CCSc1cccc(NC(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736667384 598865628 /nfs/dbraw/zinc/86/56/28/598865628.db2.gz PACBAWKWLDPTBT-LBPRGKRZSA-N -1 3 369.450 3.385 20 0 FGADHM CCCCS[C@H](C)C(=O)O[C@H](C)COc1cccc(-c2nnn[n-]2)c1 ZINC000736462161 598886244 /nfs/dbraw/zinc/88/62/44/598886244.db2.gz AYQKWAWEJHBYPD-CHWSQXEVSA-N -1 3 364.471 3.099 20 0 FGADHM CCCCS[C@H](C)C(=O)O[C@H](C)COc1cccc(-c2nn[n-]n2)c1 ZINC000736462161 598886246 /nfs/dbraw/zinc/88/62/46/598886246.db2.gz AYQKWAWEJHBYPD-CHWSQXEVSA-N -1 3 364.471 3.099 20 0 FGADHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)Cc1ccc(Cl)cc1 ZINC000736037048 598887465 /nfs/dbraw/zinc/88/74/65/598887465.db2.gz IYIWAOYJQDPNAA-GFCCVEGCSA-N -1 3 372.812 3.073 20 0 FGADHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)Cc1ccc(Cl)cc1 ZINC000736037048 598887467 /nfs/dbraw/zinc/88/74/67/598887467.db2.gz IYIWAOYJQDPNAA-GFCCVEGCSA-N -1 3 372.812 3.073 20 0 FGADHM CCc1ccc(C(=O)O[C@H](C)COc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736687769 598889649 /nfs/dbraw/zinc/88/96/49/598889649.db2.gz PAXAXONGVFIRPP-CYBMUJFWSA-N -1 3 352.394 3.053 20 0 FGADHM CCc1ccc(C(=O)O[C@H](C)COc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736687769 598889651 /nfs/dbraw/zinc/88/96/51/598889651.db2.gz PAXAXONGVFIRPP-CYBMUJFWSA-N -1 3 352.394 3.053 20 0 FGADHM Cc1cc(C)cc(C(=O)O[C@H](C)COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737252998 598889690 /nfs/dbraw/zinc/88/96/90/598889690.db2.gz NBZBLPLWQGYAPM-CQSZACIVSA-N -1 3 352.394 3.108 20 0 FGADHM Cc1cc(C)cc(C(=O)O[C@H](C)COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737252998 598889692 /nfs/dbraw/zinc/88/96/92/598889692.db2.gz NBZBLPLWQGYAPM-CQSZACIVSA-N -1 3 352.394 3.108 20 0 FGADHM Cc1ccccc1CCC(=O)O[C@H](C)COc1cccc(-c2nnn[n-]2)c1 ZINC000737427128 598890555 /nfs/dbraw/zinc/89/05/55/598890555.db2.gz QQCIEEBMXZNFIW-OAHLLOKOSA-N -1 3 366.421 3.118 20 0 FGADHM Cc1ccccc1CCC(=O)O[C@H](C)COc1cccc(-c2nn[n-]n2)c1 ZINC000737427128 598890557 /nfs/dbraw/zinc/89/05/57/598890557.db2.gz QQCIEEBMXZNFIW-OAHLLOKOSA-N -1 3 366.421 3.118 20 0 FGADHM c1ccc2c(c1)ccnc2-c1noc(CNc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000738432643 598891450 /nfs/dbraw/zinc/89/14/50/598891450.db2.gz JDISEYZWNSZLRT-UHFFFAOYSA-N -1 3 370.376 3.077 20 0 FGADHM Fc1cc(-c2nnn[n-]2)cc(F)c1Nc1ccc(N2CCCCC2)nc1 ZINC000737640457 598891540 /nfs/dbraw/zinc/89/15/40/598891540.db2.gz XRVBEMDZALWTDQ-UHFFFAOYSA-N -1 3 357.368 3.274 20 0 FGADHM Fc1cc(-c2nn[n-]n2)cc(F)c1Nc1ccc(N2CCCCC2)nc1 ZINC000737640457 598891541 /nfs/dbraw/zinc/89/15/41/598891541.db2.gz XRVBEMDZALWTDQ-UHFFFAOYSA-N -1 3 357.368 3.274 20 0 FGADHM CC(C)(C)C(=O)C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735585821 598905019 /nfs/dbraw/zinc/90/50/19/598905019.db2.gz GFENFFPROPCFTB-UHFFFAOYSA-N -1 3 365.393 3.213 20 0 FGADHM CC(C)COC[C@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)c1ccco1 ZINC000735838468 598939331 /nfs/dbraw/zinc/93/93/31/598939331.db2.gz QJXNWYBYOVMTEE-ZDUSSCGKSA-N -1 3 362.821 3.334 20 0 FGADHM CC(C)COC[C@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)c1ccco1 ZINC000735838468 598939332 /nfs/dbraw/zinc/93/93/32/598939332.db2.gz QJXNWYBYOVMTEE-ZDUSSCGKSA-N -1 3 362.821 3.334 20 0 FGADHM Cc1nc(SCC(=O)N(C(C)C)C2CCC2)c(-c2nnn[n-]2)c(C)c1C ZINC000737482241 598942053 /nfs/dbraw/zinc/94/20/53/598942053.db2.gz GACBZKKKZPIXGG-UHFFFAOYSA-N -1 3 374.514 3.069 20 0 FGADHM Cc1nc(SCC(=O)N(C(C)C)C2CCC2)c(-c2nn[n-]n2)c(C)c1C ZINC000737482241 598942054 /nfs/dbraw/zinc/94/20/54/598942054.db2.gz GACBZKKKZPIXGG-UHFFFAOYSA-N -1 3 374.514 3.069 20 0 FGADHM c1cc(CNc2ccc(OC[C@H]3CCCO3)cc2)cc(-c2nnn[n-]2)c1 ZINC000738413470 598963237 /nfs/dbraw/zinc/96/32/37/598963237.db2.gz RNUMAKMIWONMKI-GOSISDBHSA-N -1 3 351.410 3.037 20 0 FGADHM c1cc(CNc2ccc(OC[C@H]3CCCO3)cc2)cc(-c2nn[n-]n2)c1 ZINC000738413470 598963239 /nfs/dbraw/zinc/96/32/39/598963239.db2.gz RNUMAKMIWONMKI-GOSISDBHSA-N -1 3 351.410 3.037 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OCCN(C)c1ccc(C)c(C)c1 ZINC000737033185 598983448 /nfs/dbraw/zinc/98/34/48/598983448.db2.gz RPHRPRWOMNQOJO-UHFFFAOYSA-N -1 3 353.426 3.007 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OCCN(C)c1ccc(C)c(C)c1 ZINC000737033185 598983450 /nfs/dbraw/zinc/98/34/50/598983450.db2.gz RPHRPRWOMNQOJO-UHFFFAOYSA-N -1 3 353.426 3.007 20 0 FGADHM O=C(C[C@H]1OCCc2ccccc21)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000737819668 598986459 /nfs/dbraw/zinc/98/64/59/598986459.db2.gz NXKCIBKKLIPBCQ-MRXNPFEDSA-N -1 3 369.812 3.163 20 0 FGADHM O=C(C[C@H]1OCCc2ccccc21)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000737819668 598986461 /nfs/dbraw/zinc/98/64/61/598986461.db2.gz NXKCIBKKLIPBCQ-MRXNPFEDSA-N -1 3 369.812 3.163 20 0 FGADHM CC[C@@H](NC(=O)NCc1cccc(-c2nnn[n-]2)c1)c1cc(F)ccc1F ZINC000736364139 599012596 /nfs/dbraw/zinc/01/25/96/599012596.db2.gz ROOKNUGEULGHBK-MRXNPFEDSA-N -1 3 372.379 3.095 20 0 FGADHM CC[C@@H](NC(=O)NCc1cccc(-c2nn[n-]n2)c1)c1cc(F)ccc1F ZINC000736364139 599012597 /nfs/dbraw/zinc/01/25/97/599012597.db2.gz ROOKNUGEULGHBK-MRXNPFEDSA-N -1 3 372.379 3.095 20 0 FGADHM CCN(C(=O)C[C@H](C)c1cccnc1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736503020 599025257 /nfs/dbraw/zinc/02/52/57/599025257.db2.gz RZZRTORWBMCYOH-LSDHHAIUSA-N -1 3 364.453 3.365 20 0 FGADHM CCN(C(=O)C[C@H](C)c1cccnc1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736503020 599025259 /nfs/dbraw/zinc/02/52/59/599025259.db2.gz RZZRTORWBMCYOH-LSDHHAIUSA-N -1 3 364.453 3.365 20 0 FGADHM CC(C)CC[C@@H](NC(=O)CNc1ccc(-c2nn[n-]n2)cc1)C(C)(C)C ZINC000735798029 599036739 /nfs/dbraw/zinc/03/67/39/599036739.db2.gz UKEBACUERHWIIH-MRXNPFEDSA-N -1 3 358.490 3.246 20 0 FGADHM Cc1ccccc1[C@H]1CN(c2c(F)cc(-c3nnn[n-]3)cc2F)CCO1 ZINC000822352421 599037324 /nfs/dbraw/zinc/03/73/24/599037324.db2.gz ZEVSHZPBKLBLGA-MRXNPFEDSA-N -1 3 357.364 3.031 20 0 FGADHM Cc1ccccc1[C@H]1CN(c2c(F)cc(-c3nn[n-]n3)cc2F)CCO1 ZINC000822352421 599037326 /nfs/dbraw/zinc/03/73/26/599037326.db2.gz ZEVSHZPBKLBLGA-MRXNPFEDSA-N -1 3 357.364 3.031 20 0 FGADHM COc1ccc2c(c1)OCC[C@H]2Nc1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821854418 599044234 /nfs/dbraw/zinc/04/42/34/599044234.db2.gz JGIXXUFPLVZQAJ-CQSZACIVSA-N -1 3 359.336 3.089 20 0 FGADHM COc1ccc2c(c1)OCC[C@H]2Nc1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821854418 599044236 /nfs/dbraw/zinc/04/42/36/599044236.db2.gz JGIXXUFPLVZQAJ-CQSZACIVSA-N -1 3 359.336 3.089 20 0 FGADHM C[C@H](Cc1ccsc1)Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000736065305 599045975 /nfs/dbraw/zinc/04/59/75/599045975.db2.gz CIUPNAOMBMVGRV-MRVPVSSYSA-N -1 3 354.361 3.385 20 0 FGADHM C[C@H](Cc1ccsc1)Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000736065305 599045978 /nfs/dbraw/zinc/04/59/78/599045978.db2.gz CIUPNAOMBMVGRV-MRVPVSSYSA-N -1 3 354.361 3.385 20 0 FGADHM Cc1ccccc1Cc1nc(CNc2cccc(-c3nnn[n-]3)c2C)no1 ZINC000822361493 607257953 /nfs/dbraw/zinc/25/79/53/607257953.db2.gz CMQGKGMABIWBBF-UHFFFAOYSA-N -1 3 361.409 3.069 20 0 FGADHM Cc1ccccc1Cc1nc(CNc2cccc(-c3nn[n-]n3)c2C)no1 ZINC000822361493 607257954 /nfs/dbraw/zinc/25/79/54/607257954.db2.gz CMQGKGMABIWBBF-UHFFFAOYSA-N -1 3 361.409 3.069 20 0 FGADHM CCc1nc([C@H](C)Nc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)cs1 ZINC000736698749 599056515 /nfs/dbraw/zinc/05/65/15/599056515.db2.gz JATIRIVZYYRTLD-ZETCQYMHSA-N -1 3 369.376 3.473 20 0 FGADHM CCc1nc([C@H](C)Nc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)cs1 ZINC000736698749 599056518 /nfs/dbraw/zinc/05/65/18/599056518.db2.gz JATIRIVZYYRTLD-ZETCQYMHSA-N -1 3 369.376 3.473 20 0 FGADHM C[C@@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C(=O)N1c1ccccc1 ZINC000820668396 599062042 /nfs/dbraw/zinc/06/20/42/599062042.db2.gz SFBXNQRWVWCRDM-BDJLRTHQSA-N -1 3 368.828 3.126 20 0 FGADHM C[C@@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C(=O)N1c1ccccc1 ZINC000820668396 599062045 /nfs/dbraw/zinc/06/20/45/599062045.db2.gz SFBXNQRWVWCRDM-BDJLRTHQSA-N -1 3 368.828 3.126 20 0 FGADHM Cc1cccc(NC(=O)[C@H](C)Sc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000737398270 599064661 /nfs/dbraw/zinc/06/46/61/599064661.db2.gz GUJYJPZYJBCDEI-NSHDSACASA-N -1 3 357.414 3.434 20 0 FGADHM Cc1cccc(NC(=O)[C@H](C)Sc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000737398270 599064663 /nfs/dbraw/zinc/06/46/63/599064663.db2.gz GUJYJPZYJBCDEI-NSHDSACASA-N -1 3 357.414 3.434 20 0 FGADHM Cc1cc(C)c(-c2nnn[n-]2)c(NC[C@H](C)Oc2cccc(Cl)c2)n1 ZINC000822193412 599065317 /nfs/dbraw/zinc/06/53/17/599065317.db2.gz WQIBOEABZFKNLZ-LBPRGKRZSA-N -1 3 358.833 3.411 20 0 FGADHM Cc1cc(C)c(-c2nn[n-]n2)c(NC[C@H](C)Oc2cccc(Cl)c2)n1 ZINC000822193412 599065320 /nfs/dbraw/zinc/06/53/20/599065320.db2.gz WQIBOEABZFKNLZ-LBPRGKRZSA-N -1 3 358.833 3.411 20 0 FGADHM C[C@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(=O)NCC1CCCCC1 ZINC000736189900 599065394 /nfs/dbraw/zinc/06/53/94/599065394.db2.gz CUVROZKOZVPCRF-NSHDSACASA-N -1 3 363.462 3.183 20 0 FGADHM C[C@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(=O)NCC1CCCCC1 ZINC000736189900 599065397 /nfs/dbraw/zinc/06/53/97/599065397.db2.gz CUVROZKOZVPCRF-NSHDSACASA-N -1 3 363.462 3.183 20 0 FGADHM C[C@@H](C(=O)N(Cc1ccco1)c1ccccc1-c1nnn[n-]1)c1ccco1 ZINC000735514776 599070189 /nfs/dbraw/zinc/07/01/89/599070189.db2.gz VWYBAGFERCPJAN-CYBMUJFWSA-N -1 3 363.377 3.390 20 0 FGADHM C[C@@H](C(=O)N(Cc1ccco1)c1ccccc1-c1nn[n-]n1)c1ccco1 ZINC000735514776 599070193 /nfs/dbraw/zinc/07/01/93/599070193.db2.gz VWYBAGFERCPJAN-CYBMUJFWSA-N -1 3 363.377 3.390 20 0 FGADHM CN(C(=O)[C@@H]1C[C@H]1c1cccc(F)c1F)c1ccc(-c2nnn[n-]2)cc1F ZINC000736733121 599073741 /nfs/dbraw/zinc/07/37/41/599073741.db2.gz QVQMGWOLCCBRIA-NWDGAFQWSA-N -1 3 373.338 3.051 20 0 FGADHM CN(C(=O)[C@@H]1C[C@H]1c1cccc(F)c1F)c1ccc(-c2nn[n-]n2)cc1F ZINC000736733121 599073744 /nfs/dbraw/zinc/07/37/44/599073744.db2.gz QVQMGWOLCCBRIA-NWDGAFQWSA-N -1 3 373.338 3.051 20 0 FGADHM COc1ccccc1O[C@@H](C)CNc1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821904749 599077432 /nfs/dbraw/zinc/07/74/32/599077432.db2.gz ZCUHQTGWJSRSJU-JTQLQIEISA-N -1 3 361.352 3.033 20 0 FGADHM COc1ccccc1O[C@@H](C)CNc1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821904749 599077434 /nfs/dbraw/zinc/07/74/34/599077434.db2.gz ZCUHQTGWJSRSJU-JTQLQIEISA-N -1 3 361.352 3.033 20 0 FGADHM C[C@@H]1CCC[C@@H](C)N(C(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)C1 ZINC000736244557 599086867 /nfs/dbraw/zinc/08/68/67/599086867.db2.gz KCDMNIYZLSGWDB-HZPDHXFCSA-N -1 3 371.485 3.453 20 0 FGADHM C[C@@H]1CCC[C@@H](C)N(C(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)C1 ZINC000736244557 599086870 /nfs/dbraw/zinc/08/68/70/599086870.db2.gz KCDMNIYZLSGWDB-HZPDHXFCSA-N -1 3 371.485 3.453 20 0 FGADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1C[C@H](C)CCC[C@@H]1C ZINC000736244575 599087273 /nfs/dbraw/zinc/08/72/73/599087273.db2.gz KFXITWDXYNJOJY-RVKKMQEKSA-N -1 3 371.485 3.307 20 0 FGADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1C[C@H](C)CCC[C@@H]1C ZINC000736244575 599087276 /nfs/dbraw/zinc/08/72/76/599087276.db2.gz KFXITWDXYNJOJY-RVKKMQEKSA-N -1 3 371.485 3.307 20 0 FGADHM C[C@@H](CNc1nc2c(cc1-c1nnn[n-]1)CCC2)c1ccc(F)cc1F ZINC000820280980 599097731 /nfs/dbraw/zinc/09/77/31/599097731.db2.gz QNEJWQMMWQFUCN-JTQLQIEISA-N -1 3 356.380 3.244 20 0 FGADHM C[C@@H](CNc1nc2c(cc1-c1nn[n-]n1)CCC2)c1ccc(F)cc1F ZINC000820280980 599097734 /nfs/dbraw/zinc/09/77/34/599097734.db2.gz QNEJWQMMWQFUCN-JTQLQIEISA-N -1 3 356.380 3.244 20 0 FGADHM Cc1cccc2c(CCNC(=O)C=Cc3ccccc3-c3nnn[n-]3)c[nH]c21 ZINC000737410342 599103417 /nfs/dbraw/zinc/10/34/17/599103417.db2.gz RPTZIGWYLHBDGQ-KTKRTIGZSA-N -1 3 372.432 3.029 20 0 FGADHM Cc1cccc2c(CCNC(=O)C=Cc3ccccc3-c3nn[n-]n3)c[nH]c21 ZINC000737410342 599103420 /nfs/dbraw/zinc/10/34/20/599103420.db2.gz RPTZIGWYLHBDGQ-KTKRTIGZSA-N -1 3 372.432 3.029 20 0 FGADHM C[C@@H](Sc1ccccc1-c1nnn[n-]1)C(=O)N[C@H](C)c1ccccc1 ZINC000736194247 599110759 /nfs/dbraw/zinc/11/07/59/599110759.db2.gz YOCTZFQYYRFSEN-CHWSQXEVSA-N -1 3 353.451 3.225 20 0 FGADHM C[C@@H](Sc1ccccc1-c1nn[n-]n1)C(=O)N[C@H](C)c1ccccc1 ZINC000736194247 599110762 /nfs/dbraw/zinc/11/07/62/599110762.db2.gz YOCTZFQYYRFSEN-CHWSQXEVSA-N -1 3 353.451 3.225 20 0 FGADHM CC[C@H](c1ccc(F)cc1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000820938035 599119007 /nfs/dbraw/zinc/11/90/07/599119007.db2.gz GYCPFFSVBWRRBZ-CQSZACIVSA-N -1 3 364.377 3.070 20 0 FGADHM CC[C@H](c1ccc(F)cc1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000820938035 599119010 /nfs/dbraw/zinc/11/90/10/599119010.db2.gz GYCPFFSVBWRRBZ-CQSZACIVSA-N -1 3 364.377 3.070 20 0 FGADHM CCOc1ccccc1OCCOc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821436508 599123349 /nfs/dbraw/zinc/12/33/49/599123349.db2.gz ASBINNMKYAMZIT-UHFFFAOYSA-N -1 3 360.801 3.377 20 0 FGADHM CCOc1ccccc1OCCOc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821436508 599123351 /nfs/dbraw/zinc/12/33/51/599123351.db2.gz ASBINNMKYAMZIT-UHFFFAOYSA-N -1 3 360.801 3.377 20 0 FGADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)C1CCC(c2ccccc2)CC1 ZINC000823252925 599138241 /nfs/dbraw/zinc/13/82/41/599138241.db2.gz ADMOSPSJYVPHIC-UHFFFAOYSA-N -1 3 361.449 3.457 20 0 FGADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)C1CCC(c2ccccc2)CC1 ZINC000823252925 599138245 /nfs/dbraw/zinc/13/82/45/599138245.db2.gz ADMOSPSJYVPHIC-UHFFFAOYSA-N -1 3 361.449 3.457 20 0 FGADHM C[C@@H](CCc1cccc(F)c1)C(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000820252787 599139227 /nfs/dbraw/zinc/13/92/27/599139227.db2.gz DTQOZXMFHKYOSW-AWEZNQCLSA-N -1 3 367.428 3.233 20 0 FGADHM C[C@@H](CCc1cccc(F)c1)C(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000820252787 599139229 /nfs/dbraw/zinc/13/92/29/599139229.db2.gz DTQOZXMFHKYOSW-AWEZNQCLSA-N -1 3 367.428 3.233 20 0 FGADHM CCN(C(=O)[C@@H](C)c1ccc(C)o1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821149288 599143367 /nfs/dbraw/zinc/14/33/67/599143367.db2.gz UWLXUXNVHXPWFR-UONOGXRCSA-N -1 3 353.426 3.481 20 0 FGADHM CCN(C(=O)[C@@H](C)c1ccc(C)o1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821149288 599143370 /nfs/dbraw/zinc/14/33/70/599143370.db2.gz UWLXUXNVHXPWFR-UONOGXRCSA-N -1 3 353.426 3.481 20 0 FGADHM Cc1cc(F)cc(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)c1 ZINC000822203553 599147847 /nfs/dbraw/zinc/14/78/47/599147847.db2.gz ZHTOZFISGUBWOX-UHFFFAOYSA-N -1 3 353.401 3.365 20 0 FGADHM Cc1cc(F)cc(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)c1 ZINC000822203553 599147850 /nfs/dbraw/zinc/14/78/50/599147850.db2.gz ZHTOZFISGUBWOX-UHFFFAOYSA-N -1 3 353.401 3.365 20 0 FGADHM O=C(/C=C/C1CC1)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822922058 599152045 /nfs/dbraw/zinc/15/20/45/599152045.db2.gz CHLDJEGMNFTITI-IZZDOVSWSA-N -1 3 361.405 3.350 20 0 FGADHM O=C(/C=C/C1CC1)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822922058 599152046 /nfs/dbraw/zinc/15/20/46/599152046.db2.gz CHLDJEGMNFTITI-IZZDOVSWSA-N -1 3 361.405 3.350 20 0 FGADHM C[C@@H](CC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)c1cccc(F)c1 ZINC000735977515 599159483 /nfs/dbraw/zinc/15/94/83/599159483.db2.gz SFUDOXCPKIINDP-STQMWFEESA-N -1 3 353.401 3.377 20 0 FGADHM C[C@@H](CC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)c1cccc(F)c1 ZINC000735977515 599159485 /nfs/dbraw/zinc/15/94/85/599159485.db2.gz SFUDOXCPKIINDP-STQMWFEESA-N -1 3 353.401 3.377 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C[C@@H](C)c1ccccc1C ZINC000737059560 599160395 /nfs/dbraw/zinc/16/03/95/599160395.db2.gz WSVZSNMOKCZHHY-CYBMUJFWSA-N -1 3 351.410 3.316 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C[C@@H](C)c1ccccc1C ZINC000737059560 599160396 /nfs/dbraw/zinc/16/03/96/599160396.db2.gz WSVZSNMOKCZHHY-CYBMUJFWSA-N -1 3 351.410 3.316 20 0 FGADHM CCOC(=O)[C@@H](Sc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000736591581 599169218 /nfs/dbraw/zinc/16/92/18/599169218.db2.gz VXOGJYDXELAKFV-HNNXBMFYSA-N -1 3 358.398 3.402 20 0 FGADHM CCOC(=O)[C@@H](Sc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000736591581 599169221 /nfs/dbraw/zinc/16/92/21/599169221.db2.gz VXOGJYDXELAKFV-HNNXBMFYSA-N -1 3 358.398 3.402 20 0 FGADHM C[C@H](CSc1ccccc1)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000820292756 599173501 /nfs/dbraw/zinc/17/35/01/599173501.db2.gz GLIGNZHPKVAJRM-GFCCVEGCSA-N -1 3 371.441 3.050 20 0 FGADHM C[C@H](CSc1ccccc1)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000820292756 599173502 /nfs/dbraw/zinc/17/35/02/599173502.db2.gz GLIGNZHPKVAJRM-GFCCVEGCSA-N -1 3 371.441 3.050 20 0 FGADHM COc1cccc(F)c1[C@H](C)NC(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000737137767 599175308 /nfs/dbraw/zinc/17/53/08/599175308.db2.gz DSMRRGHDPUORHM-JTQLQIEISA-N -1 3 372.429 3.062 20 0 FGADHM COc1cccc(F)c1[C@H](C)NC(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000737137767 599175309 /nfs/dbraw/zinc/17/53/09/599175309.db2.gz DSMRRGHDPUORHM-JTQLQIEISA-N -1 3 372.429 3.062 20 0 FGADHM C[C@@H](C(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1)c1cccc(Cl)c1 ZINC000735512665 599182188 /nfs/dbraw/zinc/18/21/88/599182188.db2.gz IJZAJACSZWBXAP-GFCCVEGCSA-N -1 3 355.829 3.282 20 0 FGADHM C[C@@H](C(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1)c1cccc(Cl)c1 ZINC000735512665 599182189 /nfs/dbraw/zinc/18/21/89/599182189.db2.gz IJZAJACSZWBXAP-GFCCVEGCSA-N -1 3 355.829 3.282 20 0 FGADHM CC(C)(C(=O)NCc1cc(-c2nnn[n-]2)ccc1F)c1cccc(Cl)c1 ZINC000819891915 599182457 /nfs/dbraw/zinc/18/24/57/599182457.db2.gz LJSMOWXRIUTTGM-UHFFFAOYSA-N -1 3 373.819 3.253 20 0 FGADHM CC(C)(C(=O)NCc1cc(-c2nn[n-]n2)ccc1F)c1cccc(Cl)c1 ZINC000819891915 599182458 /nfs/dbraw/zinc/18/24/58/599182458.db2.gz LJSMOWXRIUTTGM-UHFFFAOYSA-N -1 3 373.819 3.253 20 0 FGADHM CC(C)(C)C(=O)c1ccsc1NC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000735589553 599189543 /nfs/dbraw/zinc/18/95/43/599189543.db2.gz MGXFVNMIYYCKDL-UHFFFAOYSA-N -1 3 369.450 3.338 20 0 FGADHM CC(C)(C)C(=O)c1ccsc1NC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000735589553 599189545 /nfs/dbraw/zinc/18/95/45/599189545.db2.gz MGXFVNMIYYCKDL-UHFFFAOYSA-N -1 3 369.450 3.338 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cc2cccc(F)c2o1 ZINC000737063600 599187128 /nfs/dbraw/zinc/18/71/28/599187128.db2.gz ZDBWDNIJLDPXEY-UHFFFAOYSA-N -1 3 353.313 3.013 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc2cccc(F)c2o1 ZINC000737063600 599187129 /nfs/dbraw/zinc/18/71/29/599187129.db2.gz ZDBWDNIJLDPXEY-UHFFFAOYSA-N -1 3 353.313 3.013 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc(-c2ccccc2)n1C ZINC000737062128 599187479 /nfs/dbraw/zinc/18/74/79/599187479.db2.gz GQMJTBGCOFLHCR-UHFFFAOYSA-N -1 3 374.404 3.133 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(-c2ccccc2)n1C ZINC000737062128 599187482 /nfs/dbraw/zinc/18/74/82/599187482.db2.gz GQMJTBGCOFLHCR-UHFFFAOYSA-N -1 3 374.404 3.133 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H]1CCSc2ccccc21 ZINC000737057088 599187588 /nfs/dbraw/zinc/18/75/88/599187588.db2.gz GPLIWXBCRUPMPK-ZDUSSCGKSA-N -1 3 367.434 3.093 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H]1CCSc2ccccc21 ZINC000737057088 599187590 /nfs/dbraw/zinc/18/75/90/599187590.db2.gz GPLIWXBCRUPMPK-ZDUSSCGKSA-N -1 3 367.434 3.093 20 0 FGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C[C@H](C)n1cccc1 ZINC000735873951 599199337 /nfs/dbraw/zinc/19/93/37/599199337.db2.gz FGCVIVHJZHVZTI-HNNXBMFYSA-N -1 3 352.442 3.057 20 0 FGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C[C@H](C)n1cccc1 ZINC000735873951 599199338 /nfs/dbraw/zinc/19/93/38/599199338.db2.gz FGCVIVHJZHVZTI-HNNXBMFYSA-N -1 3 352.442 3.057 20 0 FGADHM COCCN(C(=O)C[C@H]1CCC[C@@H](C)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736988341 599205594 /nfs/dbraw/zinc/20/55/94/599205594.db2.gz KVIVSBUQMDPSQF-CABCVRRESA-N -1 3 357.458 3.063 20 0 FGADHM COCCN(C(=O)C[C@H]1CCC[C@@H](C)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736988341 599205597 /nfs/dbraw/zinc/20/55/97/599205597.db2.gz KVIVSBUQMDPSQF-CABCVRRESA-N -1 3 357.458 3.063 20 0 FGADHM COCCN(C(=O)C[C@@H]1CCC[C@@H](C)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736988344 599205747 /nfs/dbraw/zinc/20/57/47/599205747.db2.gz KVIVSBUQMDPSQF-HUUCEWRRSA-N -1 3 357.458 3.063 20 0 FGADHM COCCN(C(=O)C[C@@H]1CCC[C@@H](C)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736988344 599205748 /nfs/dbraw/zinc/20/57/48/599205748.db2.gz KVIVSBUQMDPSQF-HUUCEWRRSA-N -1 3 357.458 3.063 20 0 FGADHM Clc1ccc(CCN(CC2CC2)c2ncccc2-c2nnn[n-]2)cc1 ZINC000737573718 599206247 /nfs/dbraw/zinc/20/62/47/599206247.db2.gz AWHKEQLXUMPWQU-UHFFFAOYSA-N -1 3 354.845 3.374 20 0 FGADHM Clc1ccc(CCN(CC2CC2)c2ncccc2-c2nn[n-]n2)cc1 ZINC000737573718 599206248 /nfs/dbraw/zinc/20/62/48/599206248.db2.gz AWHKEQLXUMPWQU-UHFFFAOYSA-N -1 3 354.845 3.374 20 0 FGADHM FC(F)Oc1ccccc1N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737639795 599206313 /nfs/dbraw/zinc/20/63/13/599206313.db2.gz XDGOMKAOBBZGDD-CQSZACIVSA-N -1 3 372.379 3.159 20 0 FGADHM Cc1c(CSC(C)C)cccc1NC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000737215941 599208856 /nfs/dbraw/zinc/20/88/56/599208856.db2.gz PKOSOGZAJPSNAU-UHFFFAOYSA-N -1 3 368.466 3.464 20 0 FGADHM Cc1c(CSC(C)C)cccc1NC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000737215941 599208858 /nfs/dbraw/zinc/20/88/58/599208858.db2.gz PKOSOGZAJPSNAU-UHFFFAOYSA-N -1 3 368.466 3.464 20 0 FGADHM O=C(Nc1cccc(Oc2ccccn2)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000823368420 599222501 /nfs/dbraw/zinc/22/25/01/599222501.db2.gz XJGCEWLOFJQUAG-UHFFFAOYSA-N -1 3 358.361 3.306 20 0 FGADHM O=C(Nc1cccc(Oc2ccccn2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000823368420 599222503 /nfs/dbraw/zinc/22/25/03/599222503.db2.gz XJGCEWLOFJQUAG-UHFFFAOYSA-N -1 3 358.361 3.306 20 0 FGADHM Cc1cc(C)cc(C[C@@H](C)NC(=O)CCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737253075 599231269 /nfs/dbraw/zinc/23/12/69/599231269.db2.gz PJVDDSMOGCUSRH-MRXNPFEDSA-N -1 3 363.465 3.164 20 0 FGADHM Cc1cc(C)cc(C[C@@H](C)NC(=O)CCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737253075 599231273 /nfs/dbraw/zinc/23/12/73/599231273.db2.gz PJVDDSMOGCUSRH-MRXNPFEDSA-N -1 3 363.465 3.164 20 0 FGADHM Cc1cccc([C@H](C)SCC(=O)NCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822288531 599226922 /nfs/dbraw/zinc/22/69/22/599226922.db2.gz AQRUWHGJBSQGJA-AWEZNQCLSA-N -1 3 367.478 3.286 20 0 FGADHM Cc1cccc([C@H](C)SCC(=O)NCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822288531 599226925 /nfs/dbraw/zinc/22/69/25/599226925.db2.gz AQRUWHGJBSQGJA-AWEZNQCLSA-N -1 3 367.478 3.286 20 0 FGADHM CC(C)n1ncc2cc(NC(=O)c3sccc3-c3nnn[n-]3)ccc21 ZINC000735964117 599227433 /nfs/dbraw/zinc/22/74/33/599227433.db2.gz VOOQBMXVFFFWCE-UHFFFAOYSA-N -1 3 353.411 3.111 20 0 FGADHM CC(C)n1ncc2cc(NC(=O)c3sccc3-c3nn[n-]n3)ccc21 ZINC000735964117 599227435 /nfs/dbraw/zinc/22/74/35/599227435.db2.gz VOOQBMXVFFFWCE-UHFFFAOYSA-N -1 3 353.411 3.111 20 0 FGADHM CC1CCC(N(C[C@H]2CCCO2)C(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736240243 599228702 /nfs/dbraw/zinc/22/87/02/599228702.db2.gz KWIQPPZSVPSXSP-IUPXNIOVSA-N -1 3 369.469 3.067 20 0 FGADHM CC1CCC(N(C[C@H]2CCCO2)C(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736240243 599228705 /nfs/dbraw/zinc/22/87/05/599228705.db2.gz KWIQPPZSVPSXSP-IUPXNIOVSA-N -1 3 369.469 3.067 20 0 FGADHM CSCc1cc(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)ccc1F ZINC000821970001 607268778 /nfs/dbraw/zinc/26/87/78/607268778.db2.gz ILLZADFSOPTIDW-UHFFFAOYSA-N -1 3 357.414 3.430 20 0 FGADHM CSCc1cc(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)ccc1F ZINC000821970001 607268779 /nfs/dbraw/zinc/26/87/79/607268779.db2.gz ILLZADFSOPTIDW-UHFFFAOYSA-N -1 3 357.414 3.430 20 0 FGADHM Cc1c(NC(=O)[C@H]2C[C@]23CCCc2ccccc23)cccc1-c1nnn[n-]1 ZINC000822061327 607267782 /nfs/dbraw/zinc/26/77/82/607267782.db2.gz MJXLWRUFPYJXDN-UTKZUKDTSA-N -1 3 359.433 3.408 20 0 FGADHM Cc1c(NC(=O)[C@H]2C[C@]23CCCc2ccccc23)cccc1-c1nn[n-]n1 ZINC000822061327 607267783 /nfs/dbraw/zinc/26/77/83/607267783.db2.gz MJXLWRUFPYJXDN-UTKZUKDTSA-N -1 3 359.433 3.408 20 0 FGADHM CCc1ccc(COC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736688908 599241597 /nfs/dbraw/zinc/24/15/97/599241597.db2.gz HVKHXDYZAOJXTG-UHFFFAOYSA-N -1 3 368.462 3.406 20 0 FGADHM CCc1ccc(COC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736688908 599241598 /nfs/dbraw/zinc/24/15/98/599241598.db2.gz HVKHXDYZAOJXTG-UHFFFAOYSA-N -1 3 368.462 3.406 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@@H](CC)CC1 ZINC000736637123 599241658 /nfs/dbraw/zinc/24/16/58/599241658.db2.gz OSTWKXZPAVKDDG-CYBMUJFWSA-N -1 3 358.446 3.309 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@@H](CC)CC1 ZINC000736637123 599241659 /nfs/dbraw/zinc/24/16/59/599241659.db2.gz OSTWKXZPAVKDDG-CYBMUJFWSA-N -1 3 358.446 3.309 20 0 FGADHM Cc1c(NC(=O)C=Cc2ccnc3ccccc23)cccc1-c1nnn[n-]1 ZINC000822066403 607270420 /nfs/dbraw/zinc/27/04/20/607270420.db2.gz FAMAESCDOZPFIB-KTKRTIGZSA-N -1 3 356.389 3.375 20 0 FGADHM Cc1c(NC(=O)C=Cc2ccnc3ccccc23)cccc1-c1nn[n-]n1 ZINC000822066403 607270421 /nfs/dbraw/zinc/27/04/21/607270421.db2.gz FAMAESCDOZPFIB-KTKRTIGZSA-N -1 3 356.389 3.375 20 0 FGADHM Cc1cc(C)c(OCC(=O)Nc2cccc(-c3nnn[n-]3)c2C)c(C)c1 ZINC000822194145 607270934 /nfs/dbraw/zinc/27/09/34/607270934.db2.gz KUXPXMJDRCMRPK-UHFFFAOYSA-N -1 3 351.410 3.118 20 0 FGADHM Cc1cc(C)c(OCC(=O)Nc2cccc(-c3nn[n-]n3)c2C)c(C)c1 ZINC000822194145 607270935 /nfs/dbraw/zinc/27/09/35/607270935.db2.gz KUXPXMJDRCMRPK-UHFFFAOYSA-N -1 3 351.410 3.118 20 0 FGADHM Cc1c(NC(=O)Cc2cccc(OC(C)C)c2)cccc1-c1nnn[n-]1 ZINC000822075863 607269011 /nfs/dbraw/zinc/26/90/11/607269011.db2.gz JZSLPKQHDAXOPI-UHFFFAOYSA-N -1 3 351.410 3.144 20 0 FGADHM Cc1c(NC(=O)Cc2cccc(OC(C)C)c2)cccc1-c1nn[n-]n1 ZINC000822075863 607269012 /nfs/dbraw/zinc/26/90/12/607269012.db2.gz JZSLPKQHDAXOPI-UHFFFAOYSA-N -1 3 351.410 3.144 20 0 FGADHM C[C@@]1(c2ccccc2)C[C@@H]1NC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820633839 599249819 /nfs/dbraw/zinc/24/98/19/599249819.db2.gz DUDKQFKCXGKOPF-YJBOKZPZSA-N -1 3 368.828 3.372 20 0 FGADHM C[C@@]1(c2ccccc2)C[C@@H]1NC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820633839 599249820 /nfs/dbraw/zinc/24/98/20/599249820.db2.gz DUDKQFKCXGKOPF-YJBOKZPZSA-N -1 3 368.828 3.372 20 0 FGADHM CCC[C@H](NC(=O)Nc1cccc(-c2nnn[n-]2)c1C)c1ccccn1 ZINC000821020598 607280335 /nfs/dbraw/zinc/28/03/35/607280335.db2.gz FXECNHPQLLOAEE-INIZCTEOSA-N -1 3 351.414 3.233 20 0 FGADHM CCC[C@H](NC(=O)Nc1cccc(-c2nn[n-]n2)c1C)c1ccccn1 ZINC000821020598 607280336 /nfs/dbraw/zinc/28/03/36/607280336.db2.gz FXECNHPQLLOAEE-INIZCTEOSA-N -1 3 351.414 3.233 20 0 FGADHM CCC[C@@H](NC(=O)Nc1cccc(-c2nnn[n-]2)c1C)c1ccccn1 ZINC000821020617 607280476 /nfs/dbraw/zinc/28/04/76/607280476.db2.gz FXECNHPQLLOAEE-MRXNPFEDSA-N -1 3 351.414 3.233 20 0 FGADHM CCC[C@@H](NC(=O)Nc1cccc(-c2nn[n-]n2)c1C)c1ccccn1 ZINC000821020617 607280477 /nfs/dbraw/zinc/28/04/77/607280477.db2.gz FXECNHPQLLOAEE-MRXNPFEDSA-N -1 3 351.414 3.233 20 0 FGADHM CCOc1ccc(NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1F ZINC000821422188 599257685 /nfs/dbraw/zinc/25/76/85/599257685.db2.gz RQJQGILGQYSLNQ-NSHDSACASA-N -1 3 370.388 3.287 20 0 FGADHM CCOc1ccc(NC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1F ZINC000821422188 599257688 /nfs/dbraw/zinc/25/76/88/599257688.db2.gz RQJQGILGQYSLNQ-NSHDSACASA-N -1 3 370.388 3.287 20 0 FGADHM Cc1c(NC(=O)N(Cc2ccccn2)C(C)C)cccc1-c1nnn[n-]1 ZINC000822084001 607286328 /nfs/dbraw/zinc/28/63/28/607286328.db2.gz GRUWBBVWDAHWII-UHFFFAOYSA-N -1 3 351.414 3.013 20 0 FGADHM Cc1c(NC(=O)N(Cc2ccccn2)C(C)C)cccc1-c1nn[n-]n1 ZINC000822084001 607286329 /nfs/dbraw/zinc/28/63/29/607286329.db2.gz GRUWBBVWDAHWII-UHFFFAOYSA-N -1 3 351.414 3.013 20 0 FGADHM CCc1ccc(CCNC(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1 ZINC000821482551 607286431 /nfs/dbraw/zinc/28/64/31/607286431.db2.gz STPCDKDNBHHFHG-UHFFFAOYSA-N -1 3 350.426 3.102 20 0 FGADHM CCc1ccc(CCNC(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1 ZINC000821482551 607286432 /nfs/dbraw/zinc/28/64/32/607286432.db2.gz STPCDKDNBHHFHG-UHFFFAOYSA-N -1 3 350.426 3.102 20 0 FGADHM CCC(CC)n1ccc(C(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000820898210 607302125 /nfs/dbraw/zinc/30/21/25/607302125.db2.gz WLSXRSDJVSCUOA-GFCCVEGCSA-N -1 3 354.414 3.342 20 0 FGADHM CCC(CC)n1ccc(C(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000820898210 607302126 /nfs/dbraw/zinc/30/21/26/607302126.db2.gz WLSXRSDJVSCUOA-GFCCVEGCSA-N -1 3 354.414 3.342 20 0 FGADHM Cc1c(NC(=O)NC[C@H]2CCCO[C@@H]2C(C)(C)C)cccc1-c1nnn[n-]1 ZINC000822097259 607290339 /nfs/dbraw/zinc/29/03/39/607290339.db2.gz WEYDMFJSYHRQCE-CJNGLKHVSA-N -1 3 372.473 3.138 20 0 FGADHM Cc1c(NC(=O)NC[C@H]2CCCO[C@@H]2C(C)(C)C)cccc1-c1nn[n-]n1 ZINC000822097259 607290340 /nfs/dbraw/zinc/29/03/40/607290340.db2.gz WEYDMFJSYHRQCE-CJNGLKHVSA-N -1 3 372.473 3.138 20 0 FGADHM CCOc1ccccc1[C@H](C)NC(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821431103 607290440 /nfs/dbraw/zinc/29/04/40/607290440.db2.gz MIRLLFRCDBPGSB-ZDUSSCGKSA-N -1 3 366.425 3.457 20 0 FGADHM CCOc1ccccc1[C@H](C)NC(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821431103 607290441 /nfs/dbraw/zinc/29/04/41/607290441.db2.gz MIRLLFRCDBPGSB-ZDUSSCGKSA-N -1 3 366.425 3.457 20 0 FGADHM CCc1ccc([C@H]2CCCN2C(=O)C=Cc2ccccc2-c2nnn[n-]2)o1 ZINC000736689503 599259343 /nfs/dbraw/zinc/25/93/43/599259343.db2.gz YGBTVMCYRBFKPP-QJWNTBNXSA-N -1 3 363.421 3.399 20 0 FGADHM CCc1ccc([C@H]2CCCN2C(=O)C=Cc2ccccc2-c2nn[n-]n2)o1 ZINC000736689503 599259345 /nfs/dbraw/zinc/25/93/45/599259345.db2.gz YGBTVMCYRBFKPP-QJWNTBNXSA-N -1 3 363.421 3.399 20 0 FGADHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2NCc1ccc(Cl)o1 ZINC000737261858 599259689 /nfs/dbraw/zinc/25/96/89/599259689.db2.gz BGQJXAUAEOIXOW-UHFFFAOYSA-N -1 3 358.764 3.143 20 0 FGADHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2NCc1ccc(Cl)o1 ZINC000737261858 599259690 /nfs/dbraw/zinc/25/96/90/599259690.db2.gz BGQJXAUAEOIXOW-UHFFFAOYSA-N -1 3 358.764 3.143 20 0 FGADHM Cc1c(NC(=O)[C@H](C)SCc2ccccc2)cccc1-c1nnn[n-]1 ZINC000822060312 607296426 /nfs/dbraw/zinc/29/64/26/607296426.db2.gz GOXJCNDHVWDRJE-ZDUSSCGKSA-N -1 3 353.451 3.436 20 0 FGADHM Cc1c(NC(=O)[C@H](C)SCc2ccccc2)cccc1-c1nn[n-]n1 ZINC000822060312 607296427 /nfs/dbraw/zinc/29/64/27/607296427.db2.gz GOXJCNDHVWDRJE-ZDUSSCGKSA-N -1 3 353.451 3.436 20 0 FGADHM Cc1c(NC(=O)[C@@H](C)SCc2ccccc2)cccc1-c1nnn[n-]1 ZINC000822060279 607296473 /nfs/dbraw/zinc/29/64/73/607296473.db2.gz GOXJCNDHVWDRJE-CYBMUJFWSA-N -1 3 353.451 3.436 20 0 FGADHM Cc1c(NC(=O)[C@@H](C)SCc2ccccc2)cccc1-c1nn[n-]n1 ZINC000822060279 607296474 /nfs/dbraw/zinc/29/64/74/607296474.db2.gz GOXJCNDHVWDRJE-CYBMUJFWSA-N -1 3 353.451 3.436 20 0 FGADHM COc1ccc(S[C@H](C)C(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1 ZINC000821845432 607297153 /nfs/dbraw/zinc/29/71/53/607297153.db2.gz GFCNNYHWKVDPTB-GFCCVEGCSA-N -1 3 369.450 3.303 20 0 FGADHM COc1ccc(S[C@H](C)C(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1 ZINC000821845432 607297154 /nfs/dbraw/zinc/29/71/54/607297154.db2.gz GFCNNYHWKVDPTB-GFCCVEGCSA-N -1 3 369.450 3.303 20 0 FGADHM CSCCCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@@H](C)C2 ZINC000737183375 599369610 /nfs/dbraw/zinc/36/96/10/599369610.db2.gz RPSMNEWGIDUUSV-SECBINFHSA-N -1 3 351.501 3.135 20 0 FGADHM CSCCCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@@H](C)C2 ZINC000737183375 599369613 /nfs/dbraw/zinc/36/96/13/599369613.db2.gz RPSMNEWGIDUUSV-SECBINFHSA-N -1 3 351.501 3.135 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)CCCC[C@H](C)C(C)=O ZINC000821099197 607298981 /nfs/dbraw/zinc/29/89/81/607298981.db2.gz BFNIAJVODJWHKS-HNNXBMFYSA-N -1 3 371.485 3.391 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)CCCC[C@H](C)C(C)=O ZINC000821099197 607298982 /nfs/dbraw/zinc/29/89/82/607298982.db2.gz BFNIAJVODJWHKS-HNNXBMFYSA-N -1 3 371.485 3.391 20 0 FGADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Oc1cc(Cl)ccc1F ZINC000736170151 599261466 /nfs/dbraw/zinc/26/14/66/599261466.db2.gz RXKHJLBGNCXFGP-VIFPVBQESA-N -1 3 362.748 3.032 20 0 FGADHM O=C(Nc1ccccc1-c1nnn[n-]1)c1cccc(OCC(F)(F)F)c1 ZINC000823366993 607304052 /nfs/dbraw/zinc/30/40/52/607304052.db2.gz CBOBECZEKNATBN-UHFFFAOYSA-N -1 3 363.299 3.060 20 0 FGADHM O=C(Nc1ccccc1-c1nn[n-]n1)c1cccc(OCC(F)(F)F)c1 ZINC000823366993 607304053 /nfs/dbraw/zinc/30/40/53/607304053.db2.gz CBOBECZEKNATBN-UHFFFAOYSA-N -1 3 363.299 3.060 20 0 FGADHM CCO[C@@H]1C[C@H](NC(=O)Nc2cc(-c3nnn[n-]3)ccc2C)C12CCCC2 ZINC000821361155 599272091 /nfs/dbraw/zinc/27/20/91/599272091.db2.gz TUKIZHOGKWPOBB-JKSUJKDBSA-N -1 3 370.457 3.034 20 0 FGADHM CCO[C@@H]1C[C@H](NC(=O)Nc2cc(-c3nn[n-]n3)ccc2C)C12CCCC2 ZINC000821361155 599272092 /nfs/dbraw/zinc/27/20/92/599272092.db2.gz TUKIZHOGKWPOBB-JKSUJKDBSA-N -1 3 370.457 3.034 20 0 FGADHM C[C@@H](NC(=O)N[C@@H]1CSc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000736115415 599275064 /nfs/dbraw/zinc/27/50/64/599275064.db2.gz XTVBLELETVAYHK-IAQYHMDHSA-N -1 3 366.450 3.074 20 0 FGADHM C[C@@H](NC(=O)N[C@@H]1CSc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000736115415 599275067 /nfs/dbraw/zinc/27/50/67/599275067.db2.gz XTVBLELETVAYHK-IAQYHMDHSA-N -1 3 366.450 3.074 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H](C)OCCC(C)C ZINC000736487022 599278996 /nfs/dbraw/zinc/27/89/96/599278996.db2.gz APEWFUCZYWYLMP-CYBMUJFWSA-N -1 3 360.462 3.078 20 0 FGADHM COc1cccc(F)c1[C@@H](C)NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000821873108 599279296 /nfs/dbraw/zinc/27/92/96/599279296.db2.gz ROXITMFDLUENIO-SECBINFHSA-N -1 3 374.351 3.036 20 0 FGADHM COc1cccc(F)c1[C@@H](C)NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821873108 599279298 /nfs/dbraw/zinc/27/92/98/599279298.db2.gz ROXITMFDLUENIO-SECBINFHSA-N -1 3 374.351 3.036 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N[C@H]1CSc2ccccc21 ZINC000738151417 599279901 /nfs/dbraw/zinc/27/99/01/599279901.db2.gz IDUYQVJZSHYCAE-ZDUSSCGKSA-N -1 3 372.841 3.489 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N[C@H]1CSc2ccccc21 ZINC000738151417 599279904 /nfs/dbraw/zinc/27/99/04/599279904.db2.gz IDUYQVJZSHYCAE-ZDUSSCGKSA-N -1 3 372.841 3.489 20 0 FGADHM C[C@H](NC(=O)Nc1cc(F)c(F)cc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000820374823 599281071 /nfs/dbraw/zinc/28/10/71/599281071.db2.gz QODMBIKIPRBMBO-QMMMGPOBSA-N -1 3 362.315 3.167 20 0 FGADHM C[C@H](NC(=O)Nc1cc(F)c(F)cc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000820374823 599281074 /nfs/dbraw/zinc/28/10/74/599281074.db2.gz QODMBIKIPRBMBO-QMMMGPOBSA-N -1 3 362.315 3.167 20 0 FGADHM Cc1cccc(-c2noc(COc3c(C)cc(-c4nn[n-]n4)cc3C)n2)c1 ZINC000737378394 599283647 /nfs/dbraw/zinc/28/36/47/599283647.db2.gz AVIQWFNSLCGEQA-UHFFFAOYSA-N -1 3 362.393 3.421 20 0 FGADHM Cc1cc(-c2nn[n-]n2)cc(C)c1OCC(=O)NC1CCCCCCC1 ZINC000737222175 599283951 /nfs/dbraw/zinc/28/39/51/599283951.db2.gz UHDUBCBXHSQBCW-UHFFFAOYSA-N -1 3 357.458 3.091 20 0 FGADHM C[C@@H]1C[C@H](C)N(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C1 ZINC000820648593 599288529 /nfs/dbraw/zinc/28/85/29/599288529.db2.gz CLFAZMOBJWRGMP-BDAKNGLRSA-N -1 3 354.336 3.148 20 0 FGADHM C[C@@H]1C[C@H](C)N(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C1 ZINC000820648593 599288532 /nfs/dbraw/zinc/28/85/32/599288532.db2.gz CLFAZMOBJWRGMP-BDAKNGLRSA-N -1 3 354.336 3.148 20 0 FGADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)[C@H]2CSc3ccccc32)s1 ZINC000736679250 599292395 /nfs/dbraw/zinc/29/23/95/599292395.db2.gz PMDGFPXLBUKSIE-LBPRGKRZSA-N -1 3 357.464 3.319 20 0 FGADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)[C@H]2CSc3ccccc32)s1 ZINC000736679250 599292397 /nfs/dbraw/zinc/29/23/97/599292397.db2.gz PMDGFPXLBUKSIE-LBPRGKRZSA-N -1 3 357.464 3.319 20 0 FGADHM Cc1nc(-c2ccccc2)ncc1C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000822418649 607322286 /nfs/dbraw/zinc/32/22/86/607322286.db2.gz BLTOFWNBPIFKIV-UHFFFAOYSA-N -1 3 371.404 3.193 20 0 FGADHM Cc1nc(-c2ccccc2)ncc1C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000822418649 607322287 /nfs/dbraw/zinc/32/22/87/607322287.db2.gz BLTOFWNBPIFKIV-UHFFFAOYSA-N -1 3 371.404 3.193 20 0 FGADHM Clc1ccc(N[C@H]2CCOC3(CCSCC3)C2)c(-c2nnn[n-]2)c1 ZINC000822578719 607331518 /nfs/dbraw/zinc/33/15/18/607331518.db2.gz OOIIRWUAAZPUMC-LBPRGKRZSA-N -1 3 365.890 3.377 20 0 FGADHM Clc1ccc(N[C@H]2CCOC3(CCSCC3)C2)c(-c2nn[n-]n2)c1 ZINC000822578719 607331519 /nfs/dbraw/zinc/33/15/19/607331519.db2.gz OOIIRWUAAZPUMC-LBPRGKRZSA-N -1 3 365.890 3.377 20 0 FGADHM O=C([O-])c1cccc(CNCc2ccc(C(=O)N3CCCCC3)cc2)c1 ZINC000263512210 598202410 /nfs/dbraw/zinc/20/24/10/598202410.db2.gz ZEIFSGUXNPDCJS-UHFFFAOYSA-N -1 3 352.434 3.301 20 0 FGADHM COc1ccc(CNc2ccc(-c3nn[n-]n3)cc2F)cc1OC(F)F ZINC000737095271 598238331 /nfs/dbraw/zinc/23/83/31/598238331.db2.gz GFCMXQKZZLQRDG-UHFFFAOYSA-N -1 3 365.315 3.228 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000737641941 598240494 /nfs/dbraw/zinc/24/04/94/598240494.db2.gz ZOUCPPPCIWHBAT-MRXNPFEDSA-N -1 3 359.792 3.237 20 0 FGADHM Cc1c(Cl)cccc1NC(=O)CCNc1cccc(F)c1-c1nnn[n-]1 ZINC000737216634 598244082 /nfs/dbraw/zinc/24/40/82/598244082.db2.gz UWYHASVSCIWELJ-UHFFFAOYSA-N -1 3 374.807 3.408 20 0 FGADHM Cc1c(Cl)cccc1NC(=O)CCNc1cccc(F)c1-c1nn[n-]n1 ZINC000737216634 598244084 /nfs/dbraw/zinc/24/40/84/598244084.db2.gz UWYHASVSCIWELJ-UHFFFAOYSA-N -1 3 374.807 3.408 20 0 FGADHM CC[C@@H](NC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)c1nc(C)cs1 ZINC000736362459 598255550 /nfs/dbraw/zinc/25/55/50/598255550.db2.gz JHIWGGYEVMVNMV-SMDDNHRTSA-N -1 3 371.470 3.143 20 0 FGADHM CC[C@@H](NC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)c1nc(C)cs1 ZINC000736362459 598255551 /nfs/dbraw/zinc/25/55/51/598255551.db2.gz JHIWGGYEVMVNMV-SMDDNHRTSA-N -1 3 371.470 3.143 20 0 FGADHM CC(=O)Nc1cccc(CSCCOc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735489127 598272911 /nfs/dbraw/zinc/27/29/11/598272911.db2.gz XBLDYOXZKDWUNF-UHFFFAOYSA-N -1 3 369.450 3.137 20 0 FGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)NCc1ccccc1Cl ZINC000735662162 598276366 /nfs/dbraw/zinc/27/63/66/598276366.db2.gz RRGSVHAVDIGLLZ-UHFFFAOYSA-N -1 3 373.848 3.398 20 0 FGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)NCc1ccccc1Cl ZINC000735662162 598276368 /nfs/dbraw/zinc/27/63/68/598276368.db2.gz RRGSVHAVDIGLLZ-UHFFFAOYSA-N -1 3 373.848 3.398 20 0 FGADHM CN(C(=O)C=Cc1ccccc1Cl)c1ccc(-c2nnn[n-]2)cc1F ZINC000736733907 598281277 /nfs/dbraw/zinc/28/12/77/598281277.db2.gz ZNTNFJVCFNBFRO-CLFYSBASSA-N -1 3 357.776 3.335 20 0 FGADHM CN(C(=O)C=Cc1ccccc1Cl)c1ccc(-c2nn[n-]n2)cc1F ZINC000736733907 598281279 /nfs/dbraw/zinc/28/12/79/598281279.db2.gz ZNTNFJVCFNBFRO-CLFYSBASSA-N -1 3 357.776 3.335 20 0 FGADHM CC(C)c1ccc(CS(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735929000 598289764 /nfs/dbraw/zinc/28/97/64/598289764.db2.gz VIFPWOVIMBJTLA-UHFFFAOYSA-N -1 3 356.451 3.105 20 0 FGADHM CC(C)c1ccc(CS(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735929000 598289766 /nfs/dbraw/zinc/28/97/66/598289766.db2.gz VIFPWOVIMBJTLA-UHFFFAOYSA-N -1 3 356.451 3.105 20 0 FGADHM Cc1ccc(CN(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)C(C)C)s1 ZINC000737336548 598294108 /nfs/dbraw/zinc/29/41/08/598294108.db2.gz GKKNQFKYCQPBJG-UHFFFAOYSA-N -1 3 370.482 3.357 20 0 FGADHM Cc1ccc(CN(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)C(C)C)s1 ZINC000737336548 598294109 /nfs/dbraw/zinc/29/41/09/598294109.db2.gz GKKNQFKYCQPBJG-UHFFFAOYSA-N -1 3 370.482 3.357 20 0 FGADHM CCc1cccc(NC(=S)NCc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000736698510 598295921 /nfs/dbraw/zinc/29/59/21/598295921.db2.gz ISSXAVBUOHIPHC-UHFFFAOYSA-N -1 3 356.430 3.055 20 0 FGADHM CCc1cccc(NC(=S)NCc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000736698510 598295923 /nfs/dbraw/zinc/29/59/23/598295923.db2.gz ISSXAVBUOHIPHC-UHFFFAOYSA-N -1 3 356.430 3.055 20 0 FGADHM Cc1ccc(CCCCC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000737337541 598299174 /nfs/dbraw/zinc/29/91/74/598299174.db2.gz GCAGZNNYCSYXJW-UHFFFAOYSA-N -1 3 367.428 3.343 20 0 FGADHM Cc1ccc(CCCCC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000737337541 598299177 /nfs/dbraw/zinc/29/91/77/598299177.db2.gz GCAGZNNYCSYXJW-UHFFFAOYSA-N -1 3 367.428 3.343 20 0 FGADHM Cc1c2cccc(C)c2oc1C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737215032 598300443 /nfs/dbraw/zinc/30/04/43/598300443.db2.gz VANPDBWJXYFJSR-UHFFFAOYSA-N -1 3 365.368 3.299 20 0 FGADHM Cc1c2cccc(C)c2oc1C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737215032 598300444 /nfs/dbraw/zinc/30/04/44/598300444.db2.gz VANPDBWJXYFJSR-UHFFFAOYSA-N -1 3 365.368 3.299 20 0 FGADHM CC(C)(C)c1ccc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000735648940 598305727 /nfs/dbraw/zinc/30/57/27/598305727.db2.gz WPTLOIQCHKKODK-UHFFFAOYSA-N -1 3 353.401 3.233 20 0 FGADHM CC(C)(C)c1ccc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000735648940 598305728 /nfs/dbraw/zinc/30/57/28/598305728.db2.gz WPTLOIQCHKKODK-UHFFFAOYSA-N -1 3 353.401 3.233 20 0 FGADHM CCCC[C@H](CC)CSCC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000736436704 598314819 /nfs/dbraw/zinc/31/48/19/598314819.db2.gz FNLRWWJKNYYNGK-AWEZNQCLSA-N -1 3 361.515 3.433 20 0 FGADHM CCCC[C@H](CC)CSCC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000736436704 598314821 /nfs/dbraw/zinc/31/48/21/598314821.db2.gz FNLRWWJKNYYNGK-AWEZNQCLSA-N -1 3 361.515 3.433 20 0 FGADHM S=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CCc2ccccc21 ZINC000738406866 598318566 /nfs/dbraw/zinc/31/85/66/598318566.db2.gz DNGXORLXWPRECA-UHFFFAOYSA-N -1 3 356.842 3.280 20 0 FGADHM S=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CCc2ccccc21 ZINC000738406866 598318564 /nfs/dbraw/zinc/31/85/64/598318564.db2.gz DNGXORLXWPRECA-UHFFFAOYSA-N -1 3 356.842 3.280 20 0 FGADHM CC[C@@H]1CCCN(C(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000736400705 598320257 /nfs/dbraw/zinc/32/02/57/598320257.db2.gz AJTTUXFEPSPRFF-SNVBAGLBSA-N -1 3 350.879 3.339 20 0 FGADHM CC[C@@H]1CCCN(C(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000736400705 598320259 /nfs/dbraw/zinc/32/02/59/598320259.db2.gz AJTTUXFEPSPRFF-SNVBAGLBSA-N -1 3 350.879 3.339 20 0 FGADHM CSc1ccc(NC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000737190495 598322431 /nfs/dbraw/zinc/32/24/31/598322431.db2.gz MRXZBHNKQFCLIH-UHFFFAOYSA-N -1 3 358.402 3.049 20 0 FGADHM CSc1ccc(NC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000737190495 598322434 /nfs/dbraw/zinc/32/24/34/598322434.db2.gz MRXZBHNKQFCLIH-UHFFFAOYSA-N -1 3 358.402 3.049 20 0 FGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)Nc1ccc(Cl)cc1F ZINC000738098810 598322853 /nfs/dbraw/zinc/32/28/53/598322853.db2.gz DOJMJISNELHEHK-UHFFFAOYSA-N -1 3 364.743 3.120 20 0 FGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)Nc1ccc(Cl)cc1F ZINC000738098810 598322854 /nfs/dbraw/zinc/32/28/54/598322854.db2.gz DOJMJISNELHEHK-UHFFFAOYSA-N -1 3 364.743 3.120 20 0 FGADHM CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000735595504 598325459 /nfs/dbraw/zinc/32/54/59/598325459.db2.gz GDHSWIOZHGRLLQ-GOEBONIOSA-N -1 3 374.464 3.410 20 0 FGADHM CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000735595504 598325461 /nfs/dbraw/zinc/32/54/61/598325461.db2.gz GDHSWIOZHGRLLQ-GOEBONIOSA-N -1 3 374.464 3.410 20 0 FGADHM C[C@H](NC(=O)N1CCc2ccccc2[C@H]1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736114613 598390819 /nfs/dbraw/zinc/39/08/19/598390819.db2.gz UYGPSILJCAYCAV-UONOGXRCSA-N -1 3 362.437 3.257 20 0 FGADHM C[C@H](NC(=O)N1CCc2ccccc2[C@H]1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736114613 598390821 /nfs/dbraw/zinc/39/08/21/598390821.db2.gz UYGPSILJCAYCAV-UONOGXRCSA-N -1 3 362.437 3.257 20 0 FGADHM C[C@@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)COCc1ccccc1 ZINC000736026535 598391010 /nfs/dbraw/zinc/39/10/10/598391010.db2.gz PPJXWJGOTOFBDH-LBPRGKRZSA-N -1 3 358.833 3.180 20 0 FGADHM C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)COCc1ccccc1 ZINC000736026535 598391012 /nfs/dbraw/zinc/39/10/12/598391012.db2.gz PPJXWJGOTOFBDH-LBPRGKRZSA-N -1 3 358.833 3.180 20 0 FGADHM COc1cccc([C@@H]2C[C@@H]2C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000737131781 598394278 /nfs/dbraw/zinc/39/42/78/598394278.db2.gz YYYLZSGKPKXRFD-GJZGRUSLSA-N -1 3 369.812 3.271 20 0 FGADHM COc1cccc([C@@H]2C[C@@H]2C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000737131781 598394280 /nfs/dbraw/zinc/39/42/80/598394280.db2.gz YYYLZSGKPKXRFD-GJZGRUSLSA-N -1 3 369.812 3.271 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1OCC(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000737221104 598394835 /nfs/dbraw/zinc/39/48/35/598394835.db2.gz FSUDDENFVBIEJW-LBPRGKRZSA-N -1 3 371.828 3.085 20 0 FGADHM COc1cccc([C@@H]2C[C@@H]2C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)c1 ZINC000737131199 598396189 /nfs/dbraw/zinc/39/61/89/598396189.db2.gz WKISILPVBAVROL-KBPBESRZSA-N -1 3 369.812 3.271 20 0 FGADHM COc1cccc([C@@H]2C[C@@H]2C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)c1 ZINC000737131199 598396190 /nfs/dbraw/zinc/39/61/90/598396190.db2.gz WKISILPVBAVROL-KBPBESRZSA-N -1 3 369.812 3.271 20 0 FGADHM Cc1ccccc1C1(C(=O)OCc2cn3ccccc3c2-c2nnn[n-]2)CC1 ZINC000737422679 598411817 /nfs/dbraw/zinc/41/18/17/598411817.db2.gz QZQZOBUKMAIFIJ-UHFFFAOYSA-N -1 3 373.416 3.203 20 0 FGADHM Cc1ccccc1C1(C(=O)OCc2cn3ccccc3c2-c2nn[n-]n2)CC1 ZINC000737422679 598411820 /nfs/dbraw/zinc/41/18/20/598411820.db2.gz QZQZOBUKMAIFIJ-UHFFFAOYSA-N -1 3 373.416 3.203 20 0 FGADHM CC(C)C[C@@H](NC(=O)CNc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000735782353 598415160 /nfs/dbraw/zinc/41/51/60/598415160.db2.gz HSOCDOZMFIMLHR-GOSISDBHSA-N -1 3 364.453 3.182 20 0 FGADHM FC(F)(F)c1ccc(OCCSc2cc(-c3nnn[n-]3)ccn2)cc1 ZINC000737637075 598420031 /nfs/dbraw/zinc/42/00/31/598420031.db2.gz YYMZRTMFRWFEFL-UHFFFAOYSA-N -1 3 367.356 3.452 20 0 FGADHM FC(F)(F)c1ccc(OCCSc2cc(-c3nn[n-]n3)ccn2)cc1 ZINC000737637075 598420033 /nfs/dbraw/zinc/42/00/33/598420033.db2.gz YYMZRTMFRWFEFL-UHFFFAOYSA-N -1 3 367.356 3.452 20 0 FGADHM C[C@H](NC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C)c1ccccc1 ZINC000736114265 598428682 /nfs/dbraw/zinc/42/86/82/598428682.db2.gz AAZJBNCUNQIRJL-LBPRGKRZSA-N -1 3 353.430 3.306 20 0 FGADHM C[C@H](NC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C)c1ccccc1 ZINC000736114265 598428684 /nfs/dbraw/zinc/42/86/84/598428684.db2.gz AAZJBNCUNQIRJL-LBPRGKRZSA-N -1 3 353.430 3.306 20 0 FGADHM CCCCCCOCC(=O)Oc1c(Cl)cc(-c2nnn[n-]2)cc1OC ZINC000736448419 598438501 /nfs/dbraw/zinc/43/85/01/598438501.db2.gz XVAORHSOWZOJAE-UHFFFAOYSA-N -1 3 368.821 3.031 20 0 FGADHM CCCCCCOCC(=O)Oc1c(Cl)cc(-c2nn[n-]n2)cc1OC ZINC000736448419 598438502 /nfs/dbraw/zinc/43/85/02/598438502.db2.gz XVAORHSOWZOJAE-UHFFFAOYSA-N -1 3 368.821 3.031 20 0 FGADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)[C@@H](C)c2ccc(OC)cc2)s1 ZINC000736679043 598447308 /nfs/dbraw/zinc/44/73/08/598447308.db2.gz JMBQUSHIJJMMCZ-JTQLQIEISA-N -1 3 357.439 3.241 20 0 FGADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)[C@@H](C)c2ccc(OC)cc2)s1 ZINC000736679043 598447309 /nfs/dbraw/zinc/44/73/09/598447309.db2.gz JMBQUSHIJJMMCZ-JTQLQIEISA-N -1 3 357.439 3.241 20 0 FGADHM CC(C)(C)c1cc(NC(=O)c2cccc(-c3nnn[n-]3)c2)n(C(C)(C)C)n1 ZINC000735647728 598453224 /nfs/dbraw/zinc/45/32/24/598453224.db2.gz AWCVJZBAHKEKLX-UHFFFAOYSA-N -1 3 367.457 3.368 20 0 FGADHM CC(C)(C)c1cc(NC(=O)c2cccc(-c3nn[n-]n3)c2)n(C(C)(C)C)n1 ZINC000735647728 598453225 /nfs/dbraw/zinc/45/32/25/598453225.db2.gz AWCVJZBAHKEKLX-UHFFFAOYSA-N -1 3 367.457 3.368 20 0 FGADHM COC(C)(C)C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736958286 598454488 /nfs/dbraw/zinc/45/44/88/598454488.db2.gz PZVRSKVWYGNHRO-UHFFFAOYSA-N -1 3 353.382 3.023 20 0 FGADHM COC(C)(C)C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736958286 598454489 /nfs/dbraw/zinc/45/44/89/598454489.db2.gz PZVRSKVWYGNHRO-UHFFFAOYSA-N -1 3 353.382 3.023 20 0 FGADHM COC(=O)[C@@H](c1ccc(-c2nnn[n-]2)cc1)N(C)c1ccc2ccccc2c1 ZINC000821649793 607357752 /nfs/dbraw/zinc/35/77/52/607357752.db2.gz DHJWMEUCNAXVLO-LJQANCHMSA-N -1 3 373.416 3.370 20 0 FGADHM COC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N(C)c1ccc2ccccc2c1 ZINC000821649793 607357754 /nfs/dbraw/zinc/35/77/54/607357754.db2.gz DHJWMEUCNAXVLO-LJQANCHMSA-N -1 3 373.416 3.370 20 0 FGADHM C[C@@H]1CCC[C@@H](NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)C1 ZINC000736257120 598477510 /nfs/dbraw/zinc/47/75/10/598477510.db2.gz BTCSOHQFICZOOA-CZUORRHYSA-N -1 3 354.458 3.119 20 0 FGADHM C[C@@H]1CCC[C@@H](NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)C1 ZINC000736257120 598477512 /nfs/dbraw/zinc/47/75/12/598477512.db2.gz BTCSOHQFICZOOA-CZUORRHYSA-N -1 3 354.458 3.119 20 0 FGADHM C[C@@H](OC(=O)c1cc(-c2ccccc2)no1)c1cccc(-c2nnn[n-]2)c1 ZINC000736158664 598484176 /nfs/dbraw/zinc/48/41/76/598484176.db2.gz IJXGYEWJFKDDBO-GFCCVEGCSA-N -1 3 361.361 3.440 20 0 FGADHM C[C@@H](OC(=O)c1cc(-c2ccccc2)no1)c1cccc(-c2nn[n-]n2)c1 ZINC000736158664 598484178 /nfs/dbraw/zinc/48/41/78/598484178.db2.gz IJXGYEWJFKDDBO-GFCCVEGCSA-N -1 3 361.361 3.440 20 0 FGADHM C[C@@H](OC(=O)Cc1ccc(OC(F)F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000736155122 598485799 /nfs/dbraw/zinc/48/57/99/598485799.db2.gz HUHRYDSEKNWEGZ-LLVKDONJSA-N -1 3 374.347 3.315 20 0 FGADHM C[C@@H](OC(=O)Cc1ccc(OC(F)F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000736155122 598485801 /nfs/dbraw/zinc/48/58/01/598485801.db2.gz HUHRYDSEKNWEGZ-LLVKDONJSA-N -1 3 374.347 3.315 20 0 FGADHM CCCOc1cccc(C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)c1 ZINC000736492708 598488165 /nfs/dbraw/zinc/48/81/65/598488165.db2.gz MIGIBMOAAHQAAF-UHFFFAOYSA-N -1 3 368.441 3.464 20 0 FGADHM CCCOc1cccc(C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)c1 ZINC000736492708 598488167 /nfs/dbraw/zinc/48/81/67/598488167.db2.gz MIGIBMOAAHQAAF-UHFFFAOYSA-N -1 3 368.441 3.464 20 0 FGADHM COc1ccc(Cl)cc1CC(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000737098260 598489702 /nfs/dbraw/zinc/48/97/02/598489702.db2.gz AKXKUERRFYSRQJ-LLVKDONJSA-N -1 3 372.812 3.376 20 0 FGADHM COc1ccc(Cl)cc1CC(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000737098260 598489703 /nfs/dbraw/zinc/48/97/03/598489703.db2.gz AKXKUERRFYSRQJ-LLVKDONJSA-N -1 3 372.812 3.376 20 0 FGADHM CCc1ccc(OCC(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736691538 598489744 /nfs/dbraw/zinc/48/97/44/598489744.db2.gz OZLJWCTXBLVHHZ-ZDUSSCGKSA-N -1 3 352.394 3.112 20 0 FGADHM CCc1ccc(OCC(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736691538 598489745 /nfs/dbraw/zinc/48/97/45/598489745.db2.gz OZLJWCTXBLVHHZ-ZDUSSCGKSA-N -1 3 352.394 3.112 20 0 FGADHM CCCCS[C@H](C)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736463937 598489795 /nfs/dbraw/zinc/48/97/95/598489795.db2.gz SZIZPGVCIVWAGN-LLVKDONJSA-N -1 3 350.492 3.284 20 0 FGADHM CCCCS[C@H](C)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736463937 598489796 /nfs/dbraw/zinc/48/97/96/598489796.db2.gz SZIZPGVCIVWAGN-LLVKDONJSA-N -1 3 350.492 3.284 20 0 FGADHM O=C(C[C@H]1CCCc2ccccc21)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737824531 598495615 /nfs/dbraw/zinc/49/56/15/598495615.db2.gz XIZSHFVRGWRNGD-CYBMUJFWSA-N -1 3 351.385 3.455 20 0 FGADHM O=C(C[C@H]1CCCc2ccccc21)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737824531 598495616 /nfs/dbraw/zinc/49/56/16/598495616.db2.gz XIZSHFVRGWRNGD-CYBMUJFWSA-N -1 3 351.385 3.455 20 0 FGADHM O=C(Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1)[C@@H]1CCCOC1 ZINC000738175570 598499486 /nfs/dbraw/zinc/49/94/86/598499486.db2.gz PBLBKVOQIPHGRS-CYBMUJFWSA-N -1 3 365.393 3.024 20 0 FGADHM O=C(Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1)[C@@H]1CCCOC1 ZINC000738175570 598499488 /nfs/dbraw/zinc/49/94/88/598499488.db2.gz PBLBKVOQIPHGRS-CYBMUJFWSA-N -1 3 365.393 3.024 20 0 FGADHM C[C@H]1C[C@@H]1NC(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000736236574 598501224 /nfs/dbraw/zinc/50/12/24/598501224.db2.gz KKCFBNGIKKITKH-FZMZJTMJSA-N -1 3 351.435 3.156 20 0 FGADHM C[C@H]1C[C@@H]1NC(=O)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC000736236574 598501225 /nfs/dbraw/zinc/50/12/25/598501225.db2.gz KKCFBNGIKKITKH-FZMZJTMJSA-N -1 3 351.435 3.156 20 0 FGADHM C[C@H]1CC[C@H](NC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)CC1 ZINC000737196316 598515068 /nfs/dbraw/zinc/51/50/68/598515068.db2.gz FQGGWXWPJRQMQR-HOMQSWHASA-N -1 3 366.372 3.168 20 0 FGADHM C[C@H]1CC[C@H](NC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)CC1 ZINC000737196316 598515069 /nfs/dbraw/zinc/51/50/69/598515069.db2.gz FQGGWXWPJRQMQR-HOMQSWHASA-N -1 3 366.372 3.168 20 0 FGADHM CCc1c(C)sc(NC(=O)c2cc(F)ccc2OC)c1-c1nnn[n-]1 ZINC000736674509 598516724 /nfs/dbraw/zinc/51/67/24/598516724.db2.gz CYYFSOIXISRCHI-UHFFFAOYSA-N -1 3 361.402 3.199 20 0 FGADHM CCc1c(C)sc(NC(=O)c2cc(F)ccc2OC)c1-c1nn[n-]n1 ZINC000736674509 598516725 /nfs/dbraw/zinc/51/67/25/598516725.db2.gz CYYFSOIXISRCHI-UHFFFAOYSA-N -1 3 361.402 3.199 20 0 FGADHM CCc1c(C)sc(NC(=O)Cc2c[nH]c3ccccc23)c1-c1nnn[n-]1 ZINC000736674284 598518589 /nfs/dbraw/zinc/51/85/89/598518589.db2.gz BLBNZFPIQVNDGY-UHFFFAOYSA-N -1 3 366.450 3.462 20 0 FGADHM CCc1c(C)sc(NC(=O)Cc2c[nH]c3ccccc23)c1-c1nn[n-]n1 ZINC000736674284 598518590 /nfs/dbraw/zinc/51/85/90/598518590.db2.gz BLBNZFPIQVNDGY-UHFFFAOYSA-N -1 3 366.450 3.462 20 0 FGADHM O=C(c1cccc(-c2nnn[n-]2)c1)N(Cc1cscn1)c1ccccc1 ZINC000738268626 598535713 /nfs/dbraw/zinc/53/57/13/598535713.db2.gz MPTRQHBEBLPCCQ-UHFFFAOYSA-N -1 3 362.418 3.170 20 0 FGADHM O=C(c1cccc(-c2nn[n-]n2)c1)N(Cc1cscn1)c1ccccc1 ZINC000738268626 598535715 /nfs/dbraw/zinc/53/57/15/598535715.db2.gz MPTRQHBEBLPCCQ-UHFFFAOYSA-N -1 3 362.418 3.170 20 0 FGADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCC2)c1ccc(Cl)cc1F ZINC000738210510 598536718 /nfs/dbraw/zinc/53/67/18/598536718.db2.gz QEJFPPVSTCHSNN-UHFFFAOYSA-N -1 3 363.805 3.462 20 0 FGADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCC2)c1ccc(Cl)cc1F ZINC000738210510 598536720 /nfs/dbraw/zinc/53/67/20/598536720.db2.gz QEJFPPVSTCHSNN-UHFFFAOYSA-N -1 3 363.805 3.462 20 0 FGADHM CSCCC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737175682 598544191 /nfs/dbraw/zinc/54/41/91/598544191.db2.gz GFYUEZMUKDNRIY-UHFFFAOYSA-N -1 3 369.450 3.137 20 0 FGADHM CSCCC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737175682 598544192 /nfs/dbraw/zinc/54/41/92/598544192.db2.gz GFYUEZMUKDNRIY-UHFFFAOYSA-N -1 3 369.450 3.137 20 0 FGADHM CCCCS[C@H](C)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000736464221 598545371 /nfs/dbraw/zinc/54/53/71/598545371.db2.gz VZSMIDJAYBSFKJ-SECBINFHSA-N -1 3 371.413 3.328 20 0 FGADHM CCCCS[C@H](C)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000736464221 598545372 /nfs/dbraw/zinc/54/53/72/598545372.db2.gz VZSMIDJAYBSFKJ-SECBINFHSA-N -1 3 371.413 3.328 20 0 FGADHM COc1ccc(-c2cc(COc3ccc(-c4nnn[n-]4)c(F)c3)on2)cc1 ZINC000737055102 598547386 /nfs/dbraw/zinc/54/73/86/598547386.db2.gz HKSJQDPHOPJFQY-UHFFFAOYSA-N -1 3 367.340 3.248 20 0 FGADHM COc1ccc(-c2cc(COc3ccc(-c4nn[n-]n4)c(F)c3)on2)cc1 ZINC000737055102 598547388 /nfs/dbraw/zinc/54/73/88/598547388.db2.gz HKSJQDPHOPJFQY-UHFFFAOYSA-N -1 3 367.340 3.248 20 0 FGADHM C[C@H](C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1)c1ccccc1F ZINC000735515089 598550953 /nfs/dbraw/zinc/55/09/53/598550953.db2.gz ZFJXXVYQHMGSCO-ZDUSSCGKSA-N -1 3 365.412 3.301 20 0 FGADHM C[C@H](C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1)c1ccccc1F ZINC000735515089 598550954 /nfs/dbraw/zinc/55/09/54/598550954.db2.gz ZFJXXVYQHMGSCO-ZDUSSCGKSA-N -1 3 365.412 3.301 20 0 FGADHM CC(C)COc1ccccc1C(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000735843825 598551616 /nfs/dbraw/zinc/55/16/16/598551616.db2.gz ARDLRGWWTPDADQ-UHFFFAOYSA-N -1 3 365.437 3.174 20 0 FGADHM CC(C)COc1ccccc1C(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000735843825 598551617 /nfs/dbraw/zinc/55/16/17/598551617.db2.gz ARDLRGWWTPDADQ-UHFFFAOYSA-N -1 3 365.437 3.174 20 0 FGADHM Cc1cc(OCc2cccc(-c3nnn[n-]3)c2)ccc1NC(=O)NC1CC1 ZINC000737278578 598554541 /nfs/dbraw/zinc/55/45/41/598554541.db2.gz BRLCSZWZHRLSMF-UHFFFAOYSA-N -1 3 364.409 3.038 20 0 FGADHM Cc1cc(OCc2cccc(-c3nn[n-]n3)c2)ccc1NC(=O)NC1CC1 ZINC000737278578 598554542 /nfs/dbraw/zinc/55/45/42/598554542.db2.gz BRLCSZWZHRLSMF-UHFFFAOYSA-N -1 3 364.409 3.038 20 0 FGADHM O=C(NCC1CCCCC1)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000738044093 598561032 /nfs/dbraw/zinc/56/10/32/598561032.db2.gz HEOSTECSRGUQGP-UHFFFAOYSA-N -1 3 366.372 3.170 20 0 FGADHM O=C(NCC1CCCCC1)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000738044093 598561034 /nfs/dbraw/zinc/56/10/34/598561034.db2.gz HEOSTECSRGUQGP-UHFFFAOYSA-N -1 3 366.372 3.170 20 0 FGADHM C[C@@H]1C[C@H]1NC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736235119 598565153 /nfs/dbraw/zinc/56/51/53/598565153.db2.gz DEZZKINGTQHYLW-BDJLRTHQSA-N -1 3 350.382 3.189 20 0 FGADHM C[C@@H]1C[C@H]1NC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736235119 598565155 /nfs/dbraw/zinc/56/51/55/598565155.db2.gz DEZZKINGTQHYLW-BDJLRTHQSA-N -1 3 350.382 3.189 20 0 FGADHM Cc1ccc(NC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)c(C)c1 ZINC000737357248 598570759 /nfs/dbraw/zinc/57/07/59/598570759.db2.gz XBEWXVTXVZTWEW-SFHVURJKSA-N -1 3 362.437 3.091 20 0 FGADHM COc1ccc2c(c1)CCC[C@H]2CC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000737113272 598571766 /nfs/dbraw/zinc/57/17/66/598571766.db2.gz BANONOIQMDLHRT-AWEZNQCLSA-N -1 3 363.421 3.324 20 0 FGADHM COc1ccc2c(c1)CCC[C@H]2CC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000737113272 598571770 /nfs/dbraw/zinc/57/17/70/598571770.db2.gz BANONOIQMDLHRT-AWEZNQCLSA-N -1 3 363.421 3.324 20 0 FGADHM CCCN(C)c1ccc(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000736472853 598583192 /nfs/dbraw/zinc/58/31/92/598583192.db2.gz UUPMNIIEHOYAQY-UHFFFAOYSA-N -1 3 354.389 3.104 20 0 FGADHM CCCN(C)c1ccc(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000736472853 598583193 /nfs/dbraw/zinc/58/31/93/598583193.db2.gz UUPMNIIEHOYAQY-UHFFFAOYSA-N -1 3 354.389 3.104 20 0 FGADHM CCCc1c(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)[nH]c(C)c1C(C)=O ZINC000736497705 598584244 /nfs/dbraw/zinc/58/42/44/598584244.db2.gz KYEPVLJMYZFAIO-UHFFFAOYSA-N -1 3 370.388 3.050 20 0 FGADHM CCCc1c(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)[nH]c(C)c1C(C)=O ZINC000736497705 598584246 /nfs/dbraw/zinc/58/42/46/598584246.db2.gz KYEPVLJMYZFAIO-UHFFFAOYSA-N -1 3 370.388 3.050 20 0 FGADHM CSCc1cccc(NC(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737187820 598588002 /nfs/dbraw/zinc/58/80/02/598588002.db2.gz VZZUWIAKDCFTPI-GFCCVEGCSA-N -1 3 369.450 3.136 20 0 FGADHM CC(C)c1ccc(OCC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000735929448 598588640 /nfs/dbraw/zinc/58/86/40/598588640.db2.gz ZHYVCRMSMGOJMN-UHFFFAOYSA-N -1 3 355.373 3.147 20 0 FGADHM CC(C)c1ccc(OCC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000735929448 598588642 /nfs/dbraw/zinc/58/86/42/598588642.db2.gz ZHYVCRMSMGOJMN-UHFFFAOYSA-N -1 3 355.373 3.147 20 0 FGADHM Oc1ccc(-c2noc(CSCc3ccc(-c4nn[n-]n4)cc3)n2)cc1 ZINC000738398596 598608899 /nfs/dbraw/zinc/60/88/99/598608899.db2.gz XLGLWHOHZIFCSP-UHFFFAOYSA-N -1 3 366.406 3.056 20 0 FGADHM COc1ccc(-c2noc([C@@H](C)Oc3ccccc3-c3nnn[n-]3)n2)cc1 ZINC000737061644 598609907 /nfs/dbraw/zinc/60/99/07/598609907.db2.gz BXNBPTDRRLEJIT-LLVKDONJSA-N -1 3 364.365 3.065 20 0 FGADHM COc1ccc(-c2noc([C@@H](C)Oc3ccccc3-c3nn[n-]n3)n2)cc1 ZINC000737061644 598609908 /nfs/dbraw/zinc/60/99/08/598609908.db2.gz BXNBPTDRRLEJIT-LLVKDONJSA-N -1 3 364.365 3.065 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N[C@@H]1CCCOc2ccccc21 ZINC000738165318 598627113 /nfs/dbraw/zinc/62/71/13/598627113.db2.gz BZWOGFMQBMESIP-OAHLLOKOSA-N -1 3 368.372 3.041 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N[C@@H]1CCCOc2ccccc21 ZINC000738165318 598627115 /nfs/dbraw/zinc/62/71/15/598627115.db2.gz BZWOGFMQBMESIP-OAHLLOKOSA-N -1 3 368.372 3.041 20 0 FGADHM COc1cc2c(cc1OC)CN(c1c(Cl)cccc1-c1nnn[n-]1)CC2 ZINC000737055118 598631661 /nfs/dbraw/zinc/63/16/61/598631661.db2.gz IEMQHKGMEORYPP-UHFFFAOYSA-N -1 3 371.828 3.100 20 0 FGADHM COc1cc2c(cc1OC)CN(c1c(Cl)cccc1-c1nn[n-]n1)CC2 ZINC000737055118 598631663 /nfs/dbraw/zinc/63/16/63/598631663.db2.gz IEMQHKGMEORYPP-UHFFFAOYSA-N -1 3 371.828 3.100 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N1CCC[C@H]1c1ccsc1 ZINC000738163102 598631965 /nfs/dbraw/zinc/63/19/65/598631965.db2.gz OFNSLQJKUISROH-AWEZNQCLSA-N -1 3 358.402 3.436 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N1CCC[C@H]1c1ccsc1 ZINC000738163102 598631966 /nfs/dbraw/zinc/63/19/66/598631966.db2.gz OFNSLQJKUISROH-AWEZNQCLSA-N -1 3 358.402 3.436 20 0 FGADHM COc1ccc(C)cc1[C@@H](C)NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737073286 598632634 /nfs/dbraw/zinc/63/26/34/598632634.db2.gz AZTYLKXYRCDCJY-LLVKDONJSA-N -1 3 370.388 3.206 20 0 FGADHM COc1ccc(C)cc1[C@@H](C)NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737073286 598632635 /nfs/dbraw/zinc/63/26/35/598632635.db2.gz AZTYLKXYRCDCJY-LLVKDONJSA-N -1 3 370.388 3.206 20 0 FGADHM Clc1ccc(-c2nnn[n-]2)c(NC[C@@H]2CCN(c3ccccc3)C2)c1 ZINC000737570923 598633741 /nfs/dbraw/zinc/63/37/41/598633741.db2.gz LVJRKTXWZUMWPS-ZDUSSCGKSA-N -1 3 354.845 3.459 20 0 FGADHM Clc1ccc(-c2nn[n-]n2)c(NC[C@@H]2CCN(c3ccccc3)C2)c1 ZINC000737570923 598633743 /nfs/dbraw/zinc/63/37/43/598633743.db2.gz LVJRKTXWZUMWPS-ZDUSSCGKSA-N -1 3 354.845 3.459 20 0 FGADHM C[C@H]1CCCCN1C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000736266499 598645937 /nfs/dbraw/zinc/64/59/37/598645937.db2.gz IOWRLOTYXDMUFA-ZDUSSCGKSA-N -1 3 364.409 3.069 20 0 FGADHM C[C@H]1CCCCN1C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000736266499 598645939 /nfs/dbraw/zinc/64/59/39/598645939.db2.gz IOWRLOTYXDMUFA-ZDUSSCGKSA-N -1 3 364.409 3.069 20 0 FGADHM C[C@H](NC(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1cccc(Cl)c1 ZINC000736110626 598648378 /nfs/dbraw/zinc/64/83/78/598648378.db2.gz ILGRLJAUBZANSM-NSHDSACASA-N -1 3 373.869 3.490 20 0 FGADHM C[C@H](NC(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1cccc(Cl)c1 ZINC000736110626 598648379 /nfs/dbraw/zinc/64/83/79/598648379.db2.gz ILGRLJAUBZANSM-NSHDSACASA-N -1 3 373.869 3.490 20 0 FGADHM C[C@H](NC(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)cc1 ZINC000736109895 598648457 /nfs/dbraw/zinc/64/84/57/598648457.db2.gz BSQSRNJPIPDTCW-NSHDSACASA-N -1 3 373.869 3.490 20 0 FGADHM C[C@H](NC(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)cc1 ZINC000736109895 598648459 /nfs/dbraw/zinc/64/84/59/598648459.db2.gz BSQSRNJPIPDTCW-NSHDSACASA-N -1 3 373.869 3.490 20 0 FGADHM CC(C)[C@@H](C)N(C)C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000735703599 598648884 /nfs/dbraw/zinc/64/88/84/598648884.db2.gz VIGHEEDSJIZGRU-CYBMUJFWSA-N -1 3 366.425 3.171 20 0 FGADHM CC(C)[C@@H](C)N(C)C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000735703599 598648886 /nfs/dbraw/zinc/64/88/86/598648886.db2.gz VIGHEEDSJIZGRU-CYBMUJFWSA-N -1 3 366.425 3.171 20 0 FGADHM C[C@@H]1c2ccsc2CCN1C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736306601 598650487 /nfs/dbraw/zinc/65/04/87/598650487.db2.gz YBVKCKMSWCFYEX-LLVKDONJSA-N -1 3 371.491 3.166 20 0 FGADHM C[C@@H]1c2ccsc2CCN1C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736306601 598650488 /nfs/dbraw/zinc/65/04/88/598650488.db2.gz YBVKCKMSWCFYEX-LLVKDONJSA-N -1 3 371.491 3.166 20 0 FGADHM C[C@@H](NC(=O)C(C)(C)c1ccc(F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736096489 598652322 /nfs/dbraw/zinc/65/23/22/598652322.db2.gz MRJRBIGKEYWLLI-GFCCVEGCSA-N -1 3 353.401 3.161 20 0 FGADHM C[C@@H](NC(=O)C(C)(C)c1ccc(F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736096489 598652324 /nfs/dbraw/zinc/65/23/24/598652324.db2.gz MRJRBIGKEYWLLI-GFCCVEGCSA-N -1 3 353.401 3.161 20 0 FGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N1CCc2cccc(Cl)c21 ZINC000737943118 598654235 /nfs/dbraw/zinc/65/42/35/598654235.db2.gz PKIODMFCOGMDED-UHFFFAOYSA-N -1 3 371.853 3.202 20 0 FGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N1CCc2cccc(Cl)c21 ZINC000737943118 598654237 /nfs/dbraw/zinc/65/42/37/598654237.db2.gz PKIODMFCOGMDED-UHFFFAOYSA-N -1 3 371.853 3.202 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H](C)CSc1ccccc1 ZINC000737058877 598656151 /nfs/dbraw/zinc/65/61/51/598656151.db2.gz PGVVTSLNBIADDA-LBPRGKRZSA-N -1 3 369.450 3.242 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H](C)CSc1ccccc1 ZINC000737058877 598656152 /nfs/dbraw/zinc/65/61/52/598656152.db2.gz PGVVTSLNBIADDA-LBPRGKRZSA-N -1 3 369.450 3.242 20 0 FGADHM C[C@H](CSc1ccccc1)C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000736046036 598657555 /nfs/dbraw/zinc/65/75/55/598657555.db2.gz DXSIEGXLAGQBOY-GFCCVEGCSA-N -1 3 371.441 3.397 20 0 FGADHM C[C@H](CSc1ccccc1)C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000736046036 598657557 /nfs/dbraw/zinc/65/75/57/598657557.db2.gz DXSIEGXLAGQBOY-GFCCVEGCSA-N -1 3 371.441 3.397 20 0 FGADHM CC[C@H](Cc1ccccc1)NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736352639 598657686 /nfs/dbraw/zinc/65/76/86/598657686.db2.gz UJICYVLFKAKANU-MRXNPFEDSA-N -1 3 367.478 3.096 20 0 FGADHM CC[C@H](Cc1ccccc1)NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736352639 598657687 /nfs/dbraw/zinc/65/76/87/598657687.db2.gz UJICYVLFKAKANU-MRXNPFEDSA-N -1 3 367.478 3.096 20 0 FGADHM Cc1nc(-c2cccs2)sc1C(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000737464552 598660087 /nfs/dbraw/zinc/66/00/87/598660087.db2.gz NYMBLVQEPVEWAK-UHFFFAOYSA-N -1 3 369.435 3.007 20 0 FGADHM Cc1nc(-c2cccs2)sc1C(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000737464552 598660088 /nfs/dbraw/zinc/66/00/88/598660088.db2.gz NYMBLVQEPVEWAK-UHFFFAOYSA-N -1 3 369.435 3.007 20 0 FGADHM O=C(CCc1ccc(-c2ccccc2)o1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000737851452 598660940 /nfs/dbraw/zinc/66/09/40/598660940.db2.gz HNSAHRKMCBOZRQ-UHFFFAOYSA-N -1 3 360.377 3.093 20 0 FGADHM O=C(CCc1ccc(-c2ccccc2)o1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000737851452 598660942 /nfs/dbraw/zinc/66/09/42/598660942.db2.gz HNSAHRKMCBOZRQ-UHFFFAOYSA-N -1 3 360.377 3.093 20 0 FGADHM C[C@H]1Cc2ccccc2[C@H]1NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736297505 598671904 /nfs/dbraw/zinc/67/19/04/598671904.db2.gz NDHNRTGTUCAWJS-SGTLLEGYSA-N -1 3 365.462 3.009 20 0 FGADHM C[C@H]1Cc2ccccc2[C@H]1NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736297505 598671906 /nfs/dbraw/zinc/67/19/06/598671906.db2.gz NDHNRTGTUCAWJS-SGTLLEGYSA-N -1 3 365.462 3.009 20 0 FGADHM c1ccc2c(c1)CCN2CC1CCN(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000738442955 598680360 /nfs/dbraw/zinc/68/03/60/598680360.db2.gz SMUHCGCOQVQCPR-UHFFFAOYSA-N -1 3 360.465 3.146 20 0 FGADHM Cc1ccc2c(C(=O)OCc3ccc(F)cc3-c3nnn[n-]3)c[nH]c2c1 ZINC000737372938 598709894 /nfs/dbraw/zinc/70/98/94/598709894.db2.gz MYLPPCVECIRXIT-UHFFFAOYSA-N -1 3 351.341 3.153 20 0 FGADHM Cc1ccc2c(C(=O)OCc3ccc(F)cc3-c3nn[n-]n3)c[nH]c2c1 ZINC000737372938 598709896 /nfs/dbraw/zinc/70/98/96/598709896.db2.gz MYLPPCVECIRXIT-UHFFFAOYSA-N -1 3 351.341 3.153 20 0 FGADHM Cc1ccccc1COC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000737428930 598724749 /nfs/dbraw/zinc/72/47/49/598724749.db2.gz YHGDMHLKTVTTMZ-UHFFFAOYSA-N -1 3 366.421 3.468 20 0 FGADHM Cc1ccccc1COC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000737428930 598724750 /nfs/dbraw/zinc/72/47/50/598724750.db2.gz YHGDMHLKTVTTMZ-UHFFFAOYSA-N -1 3 366.421 3.468 20 0 FGADHM CC/C=C\COC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000736413525 598733688 /nfs/dbraw/zinc/73/36/88/598733688.db2.gz ZPLRYOWYVJCADR-ARJAWSKDSA-N -1 3 351.366 3.177 20 0 FGADHM CC/C=C\COC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000736413525 598733689 /nfs/dbraw/zinc/73/36/89/598733689.db2.gz ZPLRYOWYVJCADR-ARJAWSKDSA-N -1 3 351.366 3.177 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)c1ncoc1-c1ccccc1 ZINC000738234992 598751441 /nfs/dbraw/zinc/75/14/41/598751441.db2.gz JWUYJGKUHAAJIT-UHFFFAOYSA-N -1 3 365.324 3.018 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)c1ncoc1-c1ccccc1 ZINC000738234992 598751443 /nfs/dbraw/zinc/75/14/43/598751443.db2.gz JWUYJGKUHAAJIT-UHFFFAOYSA-N -1 3 365.324 3.018 20 0 FGADHM Cc1ccccc1[C@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000737420339 598757933 /nfs/dbraw/zinc/75/79/33/598757933.db2.gz IGWWISQIVGRULV-GOSISDBHSA-N -1 3 364.453 3.372 20 0 FGADHM Cc1ccccc1[C@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000737420339 598757934 /nfs/dbraw/zinc/75/79/34/598757934.db2.gz IGWWISQIVGRULV-GOSISDBHSA-N -1 3 364.453 3.372 20 0 FGADHM CCc1c(C)sc(NC(=O)C=Cc2cnc(C)s2)c1-c1nnn[n-]1 ZINC000736671358 598764276 /nfs/dbraw/zinc/76/42/76/598764276.db2.gz WZAOLSOFFIGBEK-AATRIKPKSA-N -1 3 360.468 3.216 20 0 FGADHM CCc1c(C)sc(NC(=O)C=Cc2cnc(C)s2)c1-c1nn[n-]n1 ZINC000736671358 598764278 /nfs/dbraw/zinc/76/42/78/598764278.db2.gz WZAOLSOFFIGBEK-AATRIKPKSA-N -1 3 360.468 3.216 20 0 FGADHM Fc1ccc(F)c(CN2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000737660899 598765242 /nfs/dbraw/zinc/76/52/42/598765242.db2.gz VKIGXGXKABFHQX-UHFFFAOYSA-N -1 3 371.391 3.188 20 0 FGADHM CCN(C(=O)CO[C@@H]1CCC[C@H](C)C1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736504995 598789897 /nfs/dbraw/zinc/78/98/97/598789897.db2.gz KAWQCVPZZQAMIN-HDMKZQKVSA-N -1 3 371.485 3.372 20 0 FGADHM CCN(C(=O)CO[C@@H]1CCC[C@H](C)C1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736504995 598789898 /nfs/dbraw/zinc/78/98/98/598789898.db2.gz KAWQCVPZZQAMIN-HDMKZQKVSA-N -1 3 371.485 3.372 20 0 FGADHM Cc1ccc2oc(C(=O)Nc3ccc(-c4nnn[n-]4)c(Cl)c3)cc2n1 ZINC000737375837 598790675 /nfs/dbraw/zinc/79/06/75/598790675.db2.gz XRMFHEBQWQJTJB-UHFFFAOYSA-N -1 3 354.757 3.222 20 0 FGADHM Cc1ccc2oc(C(=O)Nc3ccc(-c4nn[n-]n4)c(Cl)c3)cc2n1 ZINC000737375837 598790677 /nfs/dbraw/zinc/79/06/77/598790677.db2.gz XRMFHEBQWQJTJB-UHFFFAOYSA-N -1 3 354.757 3.222 20 0 FGADHM CCc1c(C)sc(NC(=O)CO[C@@H]2CCC[C@H](C)C2)c1-c1nnn[n-]1 ZINC000736672211 598791469 /nfs/dbraw/zinc/79/14/69/598791469.db2.gz ZZOJAQZTXKUBDG-CMPLNLGQSA-N -1 3 363.487 3.333 20 0 FGADHM CCc1c(C)sc(NC(=O)CO[C@@H]2CCC[C@H](C)C2)c1-c1nn[n-]n1 ZINC000736672211 598791470 /nfs/dbraw/zinc/79/14/70/598791470.db2.gz ZZOJAQZTXKUBDG-CMPLNLGQSA-N -1 3 363.487 3.333 20 0 FGADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)N1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000737963846 598794512 /nfs/dbraw/zinc/79/45/12/598794512.db2.gz UIAYTXSLRJHGMV-KRWDZBQOSA-N -1 3 369.375 3.051 20 0 FGADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)N1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000737963846 598794513 /nfs/dbraw/zinc/79/45/13/598794513.db2.gz UIAYTXSLRJHGMV-KRWDZBQOSA-N -1 3 369.375 3.051 20 0 FGADHM CN(C[C@@H]1OCCc2ccccc21)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000736790445 598795437 /nfs/dbraw/zinc/79/54/37/598795437.db2.gz HXQUITQWRRZARY-KRWDZBQOSA-N -1 3 355.829 3.270 20 0 FGADHM CN(C[C@@H]1OCCc2ccccc21)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000736790445 598795438 /nfs/dbraw/zinc/79/54/38/598795438.db2.gz HXQUITQWRRZARY-KRWDZBQOSA-N -1 3 355.829 3.270 20 0 FGADHM CCN(C(=O)COc1ccc2ccccc2c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736504839 599312240 /nfs/dbraw/zinc/31/22/40/599312240.db2.gz HHHGWUYIGMKQCF-UHFFFAOYSA-N -1 3 373.416 3.452 20 0 FGADHM CCN(C(=O)COc1ccc2ccccc2c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736504839 599312243 /nfs/dbraw/zinc/31/22/43/599312243.db2.gz HHHGWUYIGMKQCF-UHFFFAOYSA-N -1 3 373.416 3.452 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NCc1cc(-c2ccc(C)cc2)no1 ZINC000737062077 599328318 /nfs/dbraw/zinc/32/83/18/599328318.db2.gz FFCCOEVFXSYVGI-UHFFFAOYSA-N -1 3 362.393 3.451 20 0 FGADHM Fc1cc(NCCOc2cccc(-c3nnn[n-]3)c2)ccc1OC(F)F ZINC000737651583 599329145 /nfs/dbraw/zinc/32/91/45/599329145.db2.gz LFQBBTVBSIITJQ-UHFFFAOYSA-N -1 3 365.315 3.098 20 0 FGADHM Fc1cc(NCCOc2cccc(-c3nn[n-]n3)c2)ccc1OC(F)F ZINC000737651583 599329148 /nfs/dbraw/zinc/32/91/48/599329148.db2.gz LFQBBTVBSIITJQ-UHFFFAOYSA-N -1 3 365.315 3.098 20 0 FGADHM C[C@@H](S[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1ccccc1 ZINC000736187962 599330070 /nfs/dbraw/zinc/33/00/70/599330070.db2.gz FBHBCURIPRLPMR-UONOGXRCSA-N -1 3 367.478 3.366 20 0 FGADHM C[C@@H](S[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1ccccc1 ZINC000736187962 599330072 /nfs/dbraw/zinc/33/00/72/599330072.db2.gz FBHBCURIPRLPMR-UONOGXRCSA-N -1 3 367.478 3.366 20 0 FGADHM C[C@@H](S[C@H](C)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCCCCC1 ZINC000736187923 599330438 /nfs/dbraw/zinc/33/04/38/599330438.db2.gz DERVYXPHJRVGIP-ZIAGYGMSSA-N -1 3 359.499 3.452 20 0 FGADHM C[C@@H](S[C@H](C)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCCCCC1 ZINC000736187923 599330440 /nfs/dbraw/zinc/33/04/40/599330440.db2.gz DERVYXPHJRVGIP-ZIAGYGMSSA-N -1 3 359.499 3.452 20 0 FGADHM c1ccc(OCC2CC2)c(NCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000738417771 599332551 /nfs/dbraw/zinc/33/25/51/599332551.db2.gz BPCSDSLEMIIJRY-UHFFFAOYSA-N -1 3 351.410 3.146 20 0 FGADHM c1ccc(OCC2CC2)c(NCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC000738417771 599332553 /nfs/dbraw/zinc/33/25/53/599332553.db2.gz BPCSDSLEMIIJRY-UHFFFAOYSA-N -1 3 351.410 3.146 20 0 FGADHM CCCCc1noc(CNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)n1 ZINC000736465215 599333076 /nfs/dbraw/zinc/33/30/76/599333076.db2.gz COABJGRHYMVXTB-UHFFFAOYSA-N -1 3 367.335 3.223 20 0 FGADHM CCCCc1noc(CNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)n1 ZINC000736465215 599333078 /nfs/dbraw/zinc/33/30/78/599333078.db2.gz COABJGRHYMVXTB-UHFFFAOYSA-N -1 3 367.335 3.223 20 0 FGADHM O=C(NCc1ccccc1OC1CCC1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000738124117 599333995 /nfs/dbraw/zinc/33/39/95/599333995.db2.gz MJPALFMBYXVEOK-UHFFFAOYSA-N -1 3 364.409 3.120 20 0 FGADHM O=C(NCc1ccccc1OC1CCC1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000738124117 599333996 /nfs/dbraw/zinc/33/39/96/599333996.db2.gz MJPALFMBYXVEOK-UHFFFAOYSA-N -1 3 364.409 3.120 20 0 FGADHM Cc1cc(N[C@H](C)c2cccc(-c3nnn[n-]3)c2)nc(-c2ccccn2)n1 ZINC000822209789 599353126 /nfs/dbraw/zinc/35/31/26/599353126.db2.gz XGNLVGJRDFQDRG-CYBMUJFWSA-N -1 3 358.409 3.200 20 0 FGADHM Cc1cc(N[C@H](C)c2cccc(-c3nn[n-]n3)c2)nc(-c2ccccn2)n1 ZINC000822209789 599353128 /nfs/dbraw/zinc/35/31/28/599353128.db2.gz XGNLVGJRDFQDRG-CYBMUJFWSA-N -1 3 358.409 3.200 20 0 FGADHM O=C1[C@H](Sc2ccccc2-c2nnn[n-]2)CCCN1c1cccc(F)c1 ZINC000823512148 599353529 /nfs/dbraw/zinc/35/35/29/599353529.db2.gz LKMVBZOLEWVBGK-MRXNPFEDSA-N -1 3 369.425 3.294 20 0 FGADHM O=C1[C@H](Sc2ccccc2-c2nn[n-]n2)CCCN1c1cccc(F)c1 ZINC000823512148 599353532 /nfs/dbraw/zinc/35/35/32/599353532.db2.gz LKMVBZOLEWVBGK-MRXNPFEDSA-N -1 3 369.425 3.294 20 0 FGADHM COc1cc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc(OC)c1OC ZINC000821719328 599363519 /nfs/dbraw/zinc/36/35/19/599363519.db2.gz BPWKPPFYNPNCDX-NSHDSACASA-N -1 3 355.398 3.066 20 0 FGADHM COc1cc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc(OC)c1OC ZINC000821719328 599363521 /nfs/dbraw/zinc/36/35/21/599363521.db2.gz BPWKPPFYNPNCDX-NSHDSACASA-N -1 3 355.398 3.066 20 0 FGADHM COc1ccccc1CS[C@@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000737152979 599370115 /nfs/dbraw/zinc/37/01/15/599370115.db2.gz PBYPAMDREKFQGG-LBPRGKRZSA-N -1 3 369.450 3.136 20 0 FGADHM COc1ccccc1CS[C@@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000737152979 599370117 /nfs/dbraw/zinc/37/01/17/599370117.db2.gz PBYPAMDREKFQGG-LBPRGKRZSA-N -1 3 369.450 3.136 20 0 FGADHM O=C(COc1ccc(-c2nnn[n-]2)c(F)c1)c1ccc(F)c(Cl)c1 ZINC000737918651 599370948 /nfs/dbraw/zinc/37/09/48/599370948.db2.gz HDDCRGURNDSMGH-UHFFFAOYSA-N -1 3 350.712 3.060 20 0 FGADHM O=C(COc1ccc(-c2nn[n-]n2)c(F)c1)c1ccc(F)c(Cl)c1 ZINC000737918651 599370951 /nfs/dbraw/zinc/37/09/51/599370951.db2.gz HDDCRGURNDSMGH-UHFFFAOYSA-N -1 3 350.712 3.060 20 0 FGADHM CN(CCCNc1cc(-c2nnn[n-]2)c2ccccc2n1)c1ccccc1 ZINC000736800482 599395624 /nfs/dbraw/zinc/39/56/24/599395624.db2.gz KTWQZOLKFOXLGD-UHFFFAOYSA-N -1 3 359.437 3.353 20 0 FGADHM CN(CCCNc1cc(-c2nn[n-]n2)c2ccccc2n1)c1ccccc1 ZINC000736800482 599395625 /nfs/dbraw/zinc/39/56/25/599395625.db2.gz KTWQZOLKFOXLGD-UHFFFAOYSA-N -1 3 359.437 3.353 20 0 FGADHM Cc1ccc(OCCN(C)c2cc(-c3nnn[n-]3)c3ccccc3n2)cc1 ZINC000737364986 599399278 /nfs/dbraw/zinc/39/92/78/599399278.db2.gz INHLBZYSWUNGFK-UHFFFAOYSA-N -1 3 360.421 3.239 20 0 FGADHM Cc1ccc(OCCN(C)c2cc(-c3nn[n-]n3)c3ccccc3n2)cc1 ZINC000737364986 599399282 /nfs/dbraw/zinc/39/92/82/599399282.db2.gz INHLBZYSWUNGFK-UHFFFAOYSA-N -1 3 360.421 3.239 20 0 FGADHM C[C@@H](NC(=O)NCCCCc1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820364933 599401105 /nfs/dbraw/zinc/40/11/05/599401105.db2.gz GYTVKSYKWGOEMC-OAHLLOKOSA-N -1 3 364.453 3.250 20 0 FGADHM C[C@@H](NC(=O)NCCCCc1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820364933 599401107 /nfs/dbraw/zinc/40/11/07/599401107.db2.gz GYTVKSYKWGOEMC-OAHLLOKOSA-N -1 3 364.453 3.250 20 0 FGADHM C[C@@H](NC(=O)NCC(C)(C)c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820358561 599406708 /nfs/dbraw/zinc/40/67/08/599406708.db2.gz NPKVDUNPFYDQJS-CQSZACIVSA-N -1 3 364.453 3.205 20 0 FGADHM C[C@@H](NC(=O)NCC(C)(C)c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820358561 599406711 /nfs/dbraw/zinc/40/67/11/599406711.db2.gz NPKVDUNPFYDQJS-CQSZACIVSA-N -1 3 364.453 3.205 20 0 FGADHM C[C@@H](CNc1cc(-c2nnn[n-]2)c2ccccc2n1)N(C)c1ccccc1 ZINC000736026974 599407924 /nfs/dbraw/zinc/40/79/24/599407924.db2.gz TYFZJROSOGVIAU-AWEZNQCLSA-N -1 3 359.437 3.352 20 0 FGADHM C[C@@H](CNc1cc(-c2nn[n-]n2)c2ccccc2n1)N(C)c1ccccc1 ZINC000736026974 599407925 /nfs/dbraw/zinc/40/79/25/599407925.db2.gz TYFZJROSOGVIAU-AWEZNQCLSA-N -1 3 359.437 3.352 20 0 FGADHM CCOC(=O)Nc1ccc(NCc2ccc(OC)c(-c3nnn[n-]3)c2)cc1 ZINC000821334263 599411412 /nfs/dbraw/zinc/41/14/12/599411412.db2.gz KLTRAYMUKCXKBK-UHFFFAOYSA-N -1 3 368.397 3.056 20 0 FGADHM CCOC(=O)Nc1ccc(NCc2ccc(OC)c(-c3nn[n-]n3)c2)cc1 ZINC000821334263 599411414 /nfs/dbraw/zinc/41/14/14/599411414.db2.gz KLTRAYMUKCXKBK-UHFFFAOYSA-N -1 3 368.397 3.056 20 0 FGADHM COc1ccc([C@@H]2CCN(c3cc(-c4nnn[n-]4)c4ccccc4n3)C2)cc1 ZINC000737077591 599421923 /nfs/dbraw/zinc/42/19/23/599421923.db2.gz VUDRQDMOGVVBPQ-OAHLLOKOSA-N -1 3 372.432 3.417 20 0 FGADHM COc1ccc([C@@H]2CCN(c3cc(-c4nn[n-]n4)c4ccccc4n3)C2)cc1 ZINC000737077591 599421925 /nfs/dbraw/zinc/42/19/25/599421925.db2.gz VUDRQDMOGVVBPQ-OAHLLOKOSA-N -1 3 372.432 3.417 20 0 FGADHM COc1ccc2[nH]c(SCc3cc(-c4nn[n-]n4)ccc3OC)nc2c1 ZINC000821854124 607376630 /nfs/dbraw/zinc/37/66/30/607376630.db2.gz FFPGGZVTXMQRNB-UHFFFAOYSA-N -1 3 368.422 3.053 20 0 FGADHM CC(C)(C)OC(=O)C1CCN(c2cc(Cl)ccc2-c2nnn[n-]2)CC1 ZINC000735622969 599426316 /nfs/dbraw/zinc/42/63/16/599426316.db2.gz COYZBIZQIPUCJZ-UHFFFAOYSA-N -1 3 363.849 3.078 20 0 FGADHM CC(C)(C)OC(=O)C1CCN(c2cc(Cl)ccc2-c2nn[n-]n2)CC1 ZINC000735622969 599426319 /nfs/dbraw/zinc/42/63/19/599426319.db2.gz COYZBIZQIPUCJZ-UHFFFAOYSA-N -1 3 363.849 3.078 20 0 FGADHM CC(=O)Nc1ccc(CCNc2cc(-c3nnn[n-]3)c3ccccc3n2)cc1 ZINC000735484094 599428532 /nfs/dbraw/zinc/42/85/32/599428532.db2.gz GNYWSZKXMVXLIN-UHFFFAOYSA-N -1 3 373.420 3.028 20 0 FGADHM CC(=O)Nc1ccc(CCNc2cc(-c3nn[n-]n3)c3ccccc3n2)cc1 ZINC000735484094 599428535 /nfs/dbraw/zinc/42/85/35/599428535.db2.gz GNYWSZKXMVXLIN-UHFFFAOYSA-N -1 3 373.420 3.028 20 0 FGADHM COCCSc1ccc([C@H](C)NCc2ccc(-c3nnn[n-]3)o2)cc1 ZINC000821694653 599428942 /nfs/dbraw/zinc/42/89/42/599428942.db2.gz WVJSITHJSUROQO-LBPRGKRZSA-N -1 3 359.455 3.049 20 0 FGADHM Fc1ccc(OCCNc2cc(-c3nnn[n-]3)c3ccccc3n2)c(F)c1 ZINC000737657716 599432707 /nfs/dbraw/zinc/43/27/07/599432707.db2.gz ZGXBFPUQPVALHU-UHFFFAOYSA-N -1 3 368.347 3.184 20 0 FGADHM Fc1ccc(OCCNc2cc(-c3nn[n-]n3)c3ccccc3n2)c(F)c1 ZINC000737657716 599432709 /nfs/dbraw/zinc/43/27/09/599432709.db2.gz ZGXBFPUQPVALHU-UHFFFAOYSA-N -1 3 368.347 3.184 20 0 FGADHM Cc1nc(C)c(CCNc2cc(-c3nnn[n-]3)c3ccccc3n2)s1 ZINC000737474837 599434712 /nfs/dbraw/zinc/43/47/12/599434712.db2.gz VZALRBBJFMPYCN-UHFFFAOYSA-N -1 3 351.439 3.143 20 0 FGADHM Cc1nc(C)c(CCNc2cc(-c3nn[n-]n3)c3ccccc3n2)s1 ZINC000737474837 599434714 /nfs/dbraw/zinc/43/47/14/599434714.db2.gz VZALRBBJFMPYCN-UHFFFAOYSA-N -1 3 351.439 3.143 20 0 FGADHM CSC[C@H](C)Nc1cc(C)c(-c2nnn[n-]2)c2nc3ccccc3n21 ZINC000737177962 599443179 /nfs/dbraw/zinc/44/31/79/599443179.db2.gz WOVKIYIBRVCRNH-NSHDSACASA-N -1 3 353.455 3.139 20 0 FGADHM CSC[C@H](C)Nc1cc(C)c(-c2nn[n-]n2)c2nc3ccccc3n21 ZINC000737177962 599443183 /nfs/dbraw/zinc/44/31/83/599443183.db2.gz WOVKIYIBRVCRNH-NSHDSACASA-N -1 3 353.455 3.139 20 0 FGADHM c1cc(-c2ccc(-c3nnn[n-]3)cc2)ccc1OCc1nc(C2CC2)no1 ZINC000738405441 599446010 /nfs/dbraw/zinc/44/60/10/599446010.db2.gz PWTGITMBEVLQOF-UHFFFAOYSA-N -1 3 360.377 3.373 20 0 FGADHM c1cc(-c2ccc(-c3nn[n-]n3)cc2)ccc1OCc1nc(C2CC2)no1 ZINC000738405441 599446012 /nfs/dbraw/zinc/44/60/12/599446012.db2.gz PWTGITMBEVLQOF-UHFFFAOYSA-N -1 3 360.377 3.373 20 0 FGADHM CCCCc1noc([C@H](C)SCCOc2cccc(-c3nnn[n-]3)c2)n1 ZINC000736466829 599451078 /nfs/dbraw/zinc/45/10/78/599451078.db2.gz OVEVMNLFZRIESD-LBPRGKRZSA-N -1 3 374.470 3.466 20 0 FGADHM CCCCc1noc([C@H](C)SCCOc2cccc(-c3nn[n-]n3)c2)n1 ZINC000736466829 599451079 /nfs/dbraw/zinc/45/10/79/599451079.db2.gz OVEVMNLFZRIESD-LBPRGKRZSA-N -1 3 374.470 3.466 20 0 FGADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N[C@@H](C)c1nc2ccccc2[nH]1 ZINC000822337584 599496187 /nfs/dbraw/zinc/49/61/87/599496187.db2.gz YNRXRRKVZQKZCB-LBPRGKRZSA-N -1 3 370.420 3.195 20 0 FGADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N[C@@H](C)c1nc2ccccc2[nH]1 ZINC000822337584 599496189 /nfs/dbraw/zinc/49/61/89/599496189.db2.gz YNRXRRKVZQKZCB-LBPRGKRZSA-N -1 3 370.420 3.195 20 0 FGADHM C[C@@H](NC(=O)c1csc(-c2ccoc2)n1)c1cccc(-c2nnn[n-]2)c1 ZINC000820403951 599499737 /nfs/dbraw/zinc/49/97/37/599499737.db2.gz NJUCXPBGCDLRJO-SNVBAGLBSA-N -1 3 366.406 3.074 20 0 FGADHM C[C@@H](NC(=O)c1csc(-c2ccoc2)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000820403951 599499741 /nfs/dbraw/zinc/49/97/41/599499741.db2.gz NJUCXPBGCDLRJO-SNVBAGLBSA-N -1 3 366.406 3.074 20 0 FGADHM C[C@H](Cc1cccc(F)c1)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820299814 599501212 /nfs/dbraw/zinc/50/12/12/599501212.db2.gz KVKPPEZPBJSRHY-OLZOCXBDSA-N -1 3 353.401 3.062 20 0 FGADHM C[C@H](Cc1cccc(F)c1)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820299814 599501214 /nfs/dbraw/zinc/50/12/14/599501214.db2.gz KVKPPEZPBJSRHY-OLZOCXBDSA-N -1 3 353.401 3.062 20 0 FGADHM C[C@H](CC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC000820220107 599518316 /nfs/dbraw/zinc/51/83/16/599518316.db2.gz NNFMVFWZSXZUMT-CHWSQXEVSA-N -1 3 353.401 3.377 20 0 FGADHM C[C@H](CC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC000820220107 599518318 /nfs/dbraw/zinc/51/83/18/599518318.db2.gz NNFMVFWZSXZUMT-CHWSQXEVSA-N -1 3 353.401 3.377 20 0 FGADHM Cc1ccc2c(CC(=O)N[C@@H](C)c3cccc(-c4nnn[n-]4)c3)c[nH]c2c1 ZINC000822274968 599520465 /nfs/dbraw/zinc/52/04/65/599520465.db2.gz MIWXKRAWUZTDRX-ZDUSSCGKSA-N -1 3 360.421 3.076 20 0 FGADHM Cc1ccc2c(CC(=O)N[C@@H](C)c3cccc(-c4nn[n-]n4)c3)c[nH]c2c1 ZINC000822274968 599520466 /nfs/dbraw/zinc/52/04/66/599520466.db2.gz MIWXKRAWUZTDRX-ZDUSSCGKSA-N -1 3 360.421 3.076 20 0 FGADHM Cc1csc(CCNc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)n1 ZINC000737453511 599521141 /nfs/dbraw/zinc/52/11/41/599521141.db2.gz WBZNMSSGTJTFEI-UHFFFAOYSA-N -1 3 354.361 3.305 20 0 FGADHM C[C@H](NC(=O)Cc1csc(C(C)(C)C)n1)c1cccc(-c2nnn[n-]2)c1 ZINC000820334063 599523735 /nfs/dbraw/zinc/52/37/35/599523735.db2.gz KDPILWIBQASJDN-NSHDSACASA-N -1 3 370.482 3.041 20 0 FGADHM C[C@H](NC(=O)Cc1csc(C(C)(C)C)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000820334063 599523737 /nfs/dbraw/zinc/52/37/37/599523737.db2.gz KDPILWIBQASJDN-NSHDSACASA-N -1 3 370.482 3.041 20 0 FGADHM COc1ccc(CN(C)c2c(-c3nnn[n-]3)cnc3ccccc32)cc1C ZINC000821794238 599523828 /nfs/dbraw/zinc/52/38/28/599523828.db2.gz CJQQINYMGCDHBO-UHFFFAOYSA-N -1 3 360.421 3.368 20 0 FGADHM COc1ccc(CN(C)c2c(-c3nn[n-]n3)cnc3ccccc32)cc1C ZINC000821794238 599523830 /nfs/dbraw/zinc/52/38/30/599523830.db2.gz CJQQINYMGCDHBO-UHFFFAOYSA-N -1 3 360.421 3.368 20 0 FGADHM Cc1ccc(Cl)c(OCC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000822240067 599527920 /nfs/dbraw/zinc/52/79/20/599527920.db2.gz RACVTBLYNUEZCV-GFCCVEGCSA-N -1 3 371.828 3.085 20 0 FGADHM Cc1ccc(Cl)c(OCC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000822240067 599527921 /nfs/dbraw/zinc/52/79/21/599527921.db2.gz RACVTBLYNUEZCV-GFCCVEGCSA-N -1 3 371.828 3.085 20 0 FGADHM C[C@H]1c2ccc(F)cc2CCN1C(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000736302997 599536684 /nfs/dbraw/zinc/53/66/84/599536684.db2.gz REQWLOQOYWGTQX-NSHDSACASA-N -1 3 368.441 3.322 20 0 FGADHM C[C@H]1c2ccc(F)cc2CCN1C(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000736302997 599536685 /nfs/dbraw/zinc/53/66/85/599536685.db2.gz REQWLOQOYWGTQX-NSHDSACASA-N -1 3 368.441 3.322 20 0 FGADHM Cc1nc2ccccc2cc1C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822463591 599537791 /nfs/dbraw/zinc/53/77/91/599537791.db2.gz UACDQEAWYDKLRC-GFCCVEGCSA-N -1 3 358.405 3.214 20 0 FGADHM Cc1nc2ccccc2cc1C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822463591 599537793 /nfs/dbraw/zinc/53/77/93/599537793.db2.gz UACDQEAWYDKLRC-GFCCVEGCSA-N -1 3 358.405 3.214 20 0 FGADHM Cc1nc2ccccc2cc1C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822463592 599537806 /nfs/dbraw/zinc/53/78/06/599537806.db2.gz UACDQEAWYDKLRC-LBPRGKRZSA-N -1 3 358.405 3.214 20 0 FGADHM Cc1nc2ccccc2cc1C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822463592 599537808 /nfs/dbraw/zinc/53/78/08/599537808.db2.gz UACDQEAWYDKLRC-LBPRGKRZSA-N -1 3 358.405 3.214 20 0 FGADHM C[C@H](NC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F)c1cccc(-c2nnn[n-]2)c1 ZINC000820322068 599540602 /nfs/dbraw/zinc/54/06/02/599540602.db2.gz QHPGRGOSRKSVNF-COLVAYQJSA-N -1 3 369.375 3.126 20 0 FGADHM C[C@H](NC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F)c1cccc(-c2nn[n-]n2)c1 ZINC000820322068 599540603 /nfs/dbraw/zinc/54/06/03/599540603.db2.gz QHPGRGOSRKSVNF-COLVAYQJSA-N -1 3 369.375 3.126 20 0 FGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H](C)c1cccs1 ZINC000735511291 599541264 /nfs/dbraw/zinc/54/12/64/599541264.db2.gz FVZVGQBFWUOCAL-CYBMUJFWSA-N -1 3 355.467 3.469 20 0 FGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H](C)c1cccs1 ZINC000735511291 599541265 /nfs/dbraw/zinc/54/12/65/599541265.db2.gz FVZVGQBFWUOCAL-CYBMUJFWSA-N -1 3 355.467 3.469 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H](C)c1ccsc1 ZINC000736480572 599542179 /nfs/dbraw/zinc/54/21/79/599542179.db2.gz RRQDBSTZDLTDCN-ZDUSSCGKSA-N -1 3 355.467 3.471 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@H](C)c1ccsc1 ZINC000736480572 599542181 /nfs/dbraw/zinc/54/21/81/599542181.db2.gz RRQDBSTZDLTDCN-ZDUSSCGKSA-N -1 3 355.467 3.471 20 0 FGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H](C)c1cccs1 ZINC000735905278 599544072 /nfs/dbraw/zinc/54/40/72/599544072.db2.gz ZMWTYWZXYCCZAR-NSHDSACASA-N -1 3 357.439 3.458 20 0 FGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H](C)c1cccs1 ZINC000735905278 599544073 /nfs/dbraw/zinc/54/40/73/599544073.db2.gz ZMWTYWZXYCCZAR-NSHDSACASA-N -1 3 357.439 3.458 20 0 FGADHM O[C@@]1(CNc2c(Cl)cccc2-c2nnn[n-]2)CCCc2ccccc21 ZINC000823697453 599548436 /nfs/dbraw/zinc/54/84/36/599548436.db2.gz LKAIKHLTPNBSFK-GOSISDBHSA-N -1 3 355.829 3.156 20 0 FGADHM O[C@@]1(CNc2c(Cl)cccc2-c2nn[n-]n2)CCCc2ccccc21 ZINC000823697453 599548437 /nfs/dbraw/zinc/54/84/37/599548437.db2.gz LKAIKHLTPNBSFK-GOSISDBHSA-N -1 3 355.829 3.156 20 0 FGADHM C[C@H]1CCC[C@H](C)N(C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)C1 ZINC000820689715 599549589 /nfs/dbraw/zinc/54/95/89/599549589.db2.gz BRZLBRLDWDRPLP-STQMWFEESA-N -1 3 359.478 3.466 20 0 FGADHM C[C@H]1CCC[C@H](C)N(C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)C1 ZINC000820689715 599549591 /nfs/dbraw/zinc/54/95/91/599549591.db2.gz BRZLBRLDWDRPLP-STQMWFEESA-N -1 3 359.478 3.466 20 0 FGADHM C[C@@H]1CCN(C(=O)Cc2ccc(-c3nnn[n-]3)cc2)[C@@H](c2ccco2)C1 ZINC000820715947 599549789 /nfs/dbraw/zinc/54/97/89/599549789.db2.gz FXUODKAHUQOZIA-CZUORRHYSA-N -1 3 351.410 3.002 20 0 FGADHM C[C@@H]1CCN(C(=O)Cc2ccc(-c3nn[n-]n3)cc2)[C@@H](c2ccco2)C1 ZINC000820715947 599549791 /nfs/dbraw/zinc/54/97/91/599549791.db2.gz FXUODKAHUQOZIA-CZUORRHYSA-N -1 3 351.410 3.002 20 0 FGADHM Cc1ccc([C@@H](C)CNC(=O)CSc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737320528 599550714 /nfs/dbraw/zinc/55/07/14/599550714.db2.gz MGAJZBXZDUYCFV-AWEZNQCLSA-N -1 3 367.478 3.187 20 0 FGADHM Cc1ccc([C@@H](C)CNC(=O)CSc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737320528 599550716 /nfs/dbraw/zinc/55/07/16/599550716.db2.gz MGAJZBXZDUYCFV-AWEZNQCLSA-N -1 3 367.478 3.187 20 0 FGADHM C[C@H]1CCN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)[C@@H](c2ccco2)C1 ZINC000820715710 599557603 /nfs/dbraw/zinc/55/76/03/599557603.db2.gz DKKUBYDBURLDGO-SWLSCSKDSA-N -1 3 352.398 3.465 20 0 FGADHM C[C@H]1CCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)[C@@H](c2ccco2)C1 ZINC000820715710 599557605 /nfs/dbraw/zinc/55/76/05/599557605.db2.gz DKKUBYDBURLDGO-SWLSCSKDSA-N -1 3 352.398 3.465 20 0 FGADHM CCOC[C@@H]1CCCN(c2c(-c3nnn[n-]3)cnc3c(C)cc(C)cc32)C1 ZINC000821368712 599557668 /nfs/dbraw/zinc/55/76/68/599557668.db2.gz VAQOWKACHJTSKK-OAHLLOKOSA-N -1 3 366.469 3.285 20 0 FGADHM CCOC[C@@H]1CCCN(c2c(-c3nn[n-]n3)cnc3c(C)cc(C)cc32)C1 ZINC000821368712 599557671 /nfs/dbraw/zinc/55/76/71/599557671.db2.gz VAQOWKACHJTSKK-OAHLLOKOSA-N -1 3 366.469 3.285 20 0 FGADHM CCOC[C@H]1CCCN(c2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)C1 ZINC000821367023 599557697 /nfs/dbraw/zinc/55/76/97/599557697.db2.gz ALGHLESLHCUBKQ-LBPRGKRZSA-N -1 3 372.860 3.321 20 0 FGADHM CCOC[C@H]1CCCN(c2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)C1 ZINC000821367023 599557699 /nfs/dbraw/zinc/55/76/99/599557699.db2.gz ALGHLESLHCUBKQ-LBPRGKRZSA-N -1 3 372.860 3.321 20 0 FGADHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(N3CCCOC(C)(C)C3)c2c1 ZINC000822195628 599561950 /nfs/dbraw/zinc/56/19/50/599561950.db2.gz YSBHGFPRIQGBEE-UHFFFAOYSA-N -1 3 352.442 3.037 20 0 FGADHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(N3CCCOC(C)(C)C3)c2c1 ZINC000822195628 599561952 /nfs/dbraw/zinc/56/19/52/599561952.db2.gz YSBHGFPRIQGBEE-UHFFFAOYSA-N -1 3 352.442 3.037 20 0 FGADHM CCC[C@@H](CCc1ccccc1)Nc1nnc(C)c(C)c1-c1nnn[n-]1 ZINC000821020961 599581355 /nfs/dbraw/zinc/58/13/55/599581355.db2.gz KHBBYMAIRAFHKC-INIZCTEOSA-N -1 3 351.458 3.487 20 0 FGADHM CCC[C@@H](CCc1ccccc1)Nc1nnc(C)c(C)c1-c1nn[n-]n1 ZINC000821020961 599581359 /nfs/dbraw/zinc/58/13/59/599581359.db2.gz KHBBYMAIRAFHKC-INIZCTEOSA-N -1 3 351.458 3.487 20 0 FGADHM C[C@H](SCCCOc1ccc(-c2nn[n-]n2)cc1)C(=O)OC(C)(C)C ZINC000736189246 599598320 /nfs/dbraw/zinc/59/83/20/599598320.db2.gz ORLUQZGMZYBZIJ-LBPRGKRZSA-N -1 3 364.471 3.099 20 0 FGADHM O=C(CC/C=C/c1ccccc1)OCCOc1ccccc1-c1nnn[n-]1 ZINC000737826208 599606059 /nfs/dbraw/zinc/60/60/59/599606059.db2.gz REWMHPGQLULBKG-ONNFQVAWSA-N -1 3 364.405 3.282 20 0 FGADHM O=C(CC/C=C/c1ccccc1)OCCOc1ccccc1-c1nn[n-]n1 ZINC000737826208 599606060 /nfs/dbraw/zinc/60/60/60/599606060.db2.gz REWMHPGQLULBKG-ONNFQVAWSA-N -1 3 364.405 3.282 20 0 FGADHM CC[C@@H](C)[C@H]1CCCCN1C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC000736328874 599609891 /nfs/dbraw/zinc/60/98/91/599609891.db2.gz ILIRJFSCHYLMRR-IUODEOHRSA-N -1 3 358.446 3.308 20 0 FGADHM CC[C@@H](C)[C@H]1CCCCN1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC000736328874 599609894 /nfs/dbraw/zinc/60/98/94/599609894.db2.gz ILIRJFSCHYLMRR-IUODEOHRSA-N -1 3 358.446 3.308 20 0 FGADHM O=C(OCc1ccccc1-c1nnn[n-]1)c1cccc(-c2cscn2)c1 ZINC000823431735 599620973 /nfs/dbraw/zinc/62/09/73/599620973.db2.gz UTYHZVSKPBOIDJ-UHFFFAOYSA-N -1 3 363.402 3.347 20 0 FGADHM O=C(OCc1ccccc1-c1nn[n-]n1)c1cccc(-c2cscn2)c1 ZINC000823431735 599620974 /nfs/dbraw/zinc/62/09/74/599620974.db2.gz UTYHZVSKPBOIDJ-UHFFFAOYSA-N -1 3 363.402 3.347 20 0 FGADHM CSCCOC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821970005 599628166 /nfs/dbraw/zinc/62/81/66/599628166.db2.gz IONVAQMCXKZPNA-UHFFFAOYSA-N -1 3 356.407 3.179 20 0 FGADHM CSCCOC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821970005 599628167 /nfs/dbraw/zinc/62/81/67/599628167.db2.gz IONVAQMCXKZPNA-UHFFFAOYSA-N -1 3 356.407 3.179 20 0 FGADHM CSc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)o1 ZINC000821978920 599634552 /nfs/dbraw/zinc/63/45/52/599634552.db2.gz NSWYCNXTABTQDW-UHFFFAOYSA-N -1 3 369.328 3.453 20 0 FGADHM CSc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)o1 ZINC000821978920 599634553 /nfs/dbraw/zinc/63/45/53/599634553.db2.gz NSWYCNXTABTQDW-UHFFFAOYSA-N -1 3 369.328 3.453 20 0 FGADHM FC(F)Oc1ccc(Cl)cc1CNCc1ccc(-c2nnn[n-]2)o1 ZINC000822731957 599647331 /nfs/dbraw/zinc/64/73/31/599647331.db2.gz GQCGZPNCDSCOEX-UHFFFAOYSA-N -1 3 355.732 3.004 20 0 FGADHM FC(F)Oc1ccc(Cl)cc1CNCc1ccc(-c2nn[n-]n2)o1 ZINC000822731957 599647332 /nfs/dbraw/zinc/64/73/32/599647332.db2.gz GQCGZPNCDSCOEX-UHFFFAOYSA-N -1 3 355.732 3.004 20 0 FGADHM Cc1cccc(NC(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)c1Cl ZINC000822323270 599656308 /nfs/dbraw/zinc/65/63/08/599656308.db2.gz BWTLBVCISYPKJD-NSHDSACASA-N -1 3 357.801 3.235 20 0 FGADHM Cc1cccc(NC(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)c1Cl ZINC000822323270 599656309 /nfs/dbraw/zinc/65/63/09/599656309.db2.gz BWTLBVCISYPKJD-NSHDSACASA-N -1 3 357.801 3.235 20 0 FGADHM CC[C@H](C)C[C@H](C)NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000820870569 599678602 /nfs/dbraw/zinc/67/86/02/599678602.db2.gz VJVRIATXWMLFIE-KBPBESRZSA-N -1 3 356.474 3.365 20 0 FGADHM CC[C@H](C)C[C@H](C)NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000820870569 599678603 /nfs/dbraw/zinc/67/86/03/599678603.db2.gz VJVRIATXWMLFIE-KBPBESRZSA-N -1 3 356.474 3.365 20 0 FGADHM Cc1ccc(CN(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)C2CC2)o1 ZINC000822236038 599680886 /nfs/dbraw/zinc/68/08/86/599680886.db2.gz HNPZGJBTHOQXKO-CYBMUJFWSA-N -1 3 366.425 3.203 20 0 FGADHM Cc1ccc(CN(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)C2CC2)o1 ZINC000822236038 599680887 /nfs/dbraw/zinc/68/08/87/599680887.db2.gz HNPZGJBTHOQXKO-CYBMUJFWSA-N -1 3 366.425 3.203 20 0 FGADHM CC[C@H](Nc1ncccc1-c1nnn[n-]1)c1nc(C(F)(F)F)cs1 ZINC000820924873 599688313 /nfs/dbraw/zinc/68/83/13/599688313.db2.gz ARORVLIODBXQDP-QMMMGPOBSA-N -1 3 355.349 3.300 20 0 FGADHM CC[C@H](Nc1ncccc1-c1nn[n-]n1)c1nc(C(F)(F)F)cs1 ZINC000820924873 599688314 /nfs/dbraw/zinc/68/83/14/599688314.db2.gz ARORVLIODBXQDP-QMMMGPOBSA-N -1 3 355.349 3.300 20 0 FGADHM CC(C)CN(C(=O)[C@H](C)c1cccnc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820081301 599698150 /nfs/dbraw/zinc/69/81/50/599698150.db2.gz AWGBWFBNKFXEGZ-CQSZACIVSA-N -1 3 350.426 3.054 20 0 FGADHM CC(C)CN(C(=O)[C@H](C)c1cccnc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820081301 599698151 /nfs/dbraw/zinc/69/81/51/599698151.db2.gz AWGBWFBNKFXEGZ-CQSZACIVSA-N -1 3 350.426 3.054 20 0 FGADHM CN(C)C[C@H](NC(=O)Nc1ccc(F)c(NC(=O)[O-])c1)c1ccccc1 ZINC000737360815 599716929 /nfs/dbraw/zinc/71/69/29/599716929.db2.gz ONFQSYLIVNFKGH-INIZCTEOSA-N -1 3 360.389 3.340 20 0 FGADHM COC(=O)c1cccc(CN[C@H](C(=O)[O-])c2ccccc2C(F)(F)F)c1 ZINC000737709252 599791690 /nfs/dbraw/zinc/79/16/90/599791690.db2.gz PJDCLEIGLVPXBQ-HNNXBMFYSA-N -1 3 367.323 3.408 20 0 FGADHM C[C@@]1(NCC(=O)NCc2ccc(NC(=O)[O-])cc2)CCCc2ccccc21 ZINC000736738445 599803225 /nfs/dbraw/zinc/80/32/25/599803225.db2.gz LBRZDMFYLSOMNL-OAQYLSRUSA-N -1 3 367.449 3.234 20 0 FGADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCCCC2)[C@H]1CCCCO1 ZINC000823387223 607395195 /nfs/dbraw/zinc/39/51/95/607395195.db2.gz GEARDAFKWUBRAD-GFCCVEGCSA-N -1 3 361.471 3.095 20 0 FGADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCCCC2)[C@H]1CCCCO1 ZINC000823387223 607395196 /nfs/dbraw/zinc/39/51/96/607395196.db2.gz GEARDAFKWUBRAD-GFCCVEGCSA-N -1 3 361.471 3.095 20 0 FGADHM CC(C)Oc1ccc(NC(=O)c2ncoc2C(C)C)cc1-c1nnn[n-]1 ZINC000820174248 607398796 /nfs/dbraw/zinc/39/87/96/607398796.db2.gz PMCGBIMAYQJGCB-UHFFFAOYSA-N -1 3 356.386 3.018 20 0 FGADHM CC(C)Oc1ccc(NC(=O)c2ncoc2C(C)C)cc1-c1nn[n-]n1 ZINC000820174248 607398798 /nfs/dbraw/zinc/39/87/98/607398798.db2.gz PMCGBIMAYQJGCB-UHFFFAOYSA-N -1 3 356.386 3.018 20 0 FGADHM CC(C)Oc1ccc(NC(=O)c2ccc3ncccc3c2)cc1-c1nnn[n-]1 ZINC000820173903 607399306 /nfs/dbraw/zinc/39/93/06/607399306.db2.gz NCGFYMKWCAIKEA-UHFFFAOYSA-N -1 3 374.404 3.454 20 0 FGADHM CC(C)Oc1ccc(NC(=O)c2ccc3ncccc3c2)cc1-c1nn[n-]n1 ZINC000820173903 607399308 /nfs/dbraw/zinc/39/93/08/607399308.db2.gz NCGFYMKWCAIKEA-UHFFFAOYSA-N -1 3 374.404 3.454 20 0 FGADHM CCO[C@H]1C[C@@H](OC(=O)c2ccc(-c3nnn[n-]3)cc2C)C12CCCC2 ZINC000825583725 607400444 /nfs/dbraw/zinc/40/04/44/607400444.db2.gz WLENUZREZBNYBG-JKSUJKDBSA-N -1 3 356.426 3.070 20 0 FGADHM CCO[C@H]1C[C@@H](OC(=O)c2ccc(-c3nn[n-]n3)cc2C)C12CCCC2 ZINC000825583725 607400445 /nfs/dbraw/zinc/40/04/45/607400445.db2.gz WLENUZREZBNYBG-JKSUJKDBSA-N -1 3 356.426 3.070 20 0 FGADHM CC(C)Oc1ccc(NC(=O)c2cccc(F)c2F)cc1-c1nnn[n-]1 ZINC000820173893 607402796 /nfs/dbraw/zinc/40/27/96/607402796.db2.gz MVEZISCVAFEDBK-UHFFFAOYSA-N -1 3 359.336 3.184 20 0 FGADHM CC(C)Oc1ccc(NC(=O)c2cccc(F)c2F)cc1-c1nn[n-]n1 ZINC000820173893 607402797 /nfs/dbraw/zinc/40/27/97/607402797.db2.gz MVEZISCVAFEDBK-UHFFFAOYSA-N -1 3 359.336 3.184 20 0 FGADHM CC(C)Oc1ccc(NC(=O)Cc2cccc(Cl)c2)cc1-c1nnn[n-]1 ZINC000820164350 607403192 /nfs/dbraw/zinc/40/31/92/607403192.db2.gz IPLZQCMOOWODKO-UHFFFAOYSA-N -1 3 371.828 3.489 20 0 FGADHM CC(C)Oc1ccc(NC(=O)Cc2cccc(Cl)c2)cc1-c1nn[n-]n1 ZINC000820164350 607403193 /nfs/dbraw/zinc/40/31/93/607403193.db2.gz IPLZQCMOOWODKO-UHFFFAOYSA-N -1 3 371.828 3.489 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000826253168 607404635 /nfs/dbraw/zinc/40/46/35/607404635.db2.gz HHRYXNZWXHVTNZ-DLBZAZTESA-N -1 3 352.369 3.161 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000826253168 607404638 /nfs/dbraw/zinc/40/46/38/607404638.db2.gz HHRYXNZWXHVTNZ-DLBZAZTESA-N -1 3 352.369 3.161 20 0 FGADHM CN(C)CCN(Cc1ccc(F)cc1)C(=O)c1cccc(NC(=O)[O-])c1 ZINC000737369507 599934412 /nfs/dbraw/zinc/93/44/12/599934412.db2.gz KEYLPGKZCCFOSX-UHFFFAOYSA-N -1 3 359.401 3.120 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)C=Cc1ccnc2ccccc12 ZINC000826253473 607407863 /nfs/dbraw/zinc/40/78/63/607407863.db2.gz RMXWEYLRWLYLME-CMDGGOBGSA-N -1 3 371.400 3.480 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)C=Cc1ccnc2ccccc12 ZINC000826253473 607407864 /nfs/dbraw/zinc/40/78/64/607407864.db2.gz RMXWEYLRWLYLME-CMDGGOBGSA-N -1 3 371.400 3.480 20 0 FGADHM C[C@H](CN(CC(=O)N[C@H](C)c1ccc2ccccc2c1)C1CC1)C(=O)[O-] ZINC000736577338 599950728 /nfs/dbraw/zinc/95/07/28/599950728.db2.gz ANTXCTQAELZYFL-HUUCEWRRSA-N -1 3 354.450 3.202 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)CCOc1ccccc1Cl ZINC000826253434 607411410 /nfs/dbraw/zinc/41/14/10/607411410.db2.gz PSKRFSFQVBCGNB-UHFFFAOYSA-N -1 3 372.812 3.341 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)CCOc1ccccc1Cl ZINC000826253434 607411411 /nfs/dbraw/zinc/41/14/11/607411411.db2.gz PSKRFSFQVBCGNB-UHFFFAOYSA-N -1 3 372.812 3.341 20 0 FGADHM Cc1ccc([C@@H](CNC(=O)Nc2ccc(C(=O)[O-])c(C)c2)N(C)C)cc1 ZINC000738558092 600015292 /nfs/dbraw/zinc/01/52/92/600015292.db2.gz AYBWCRRKJXRBGJ-GOSISDBHSA-N -1 3 355.438 3.426 20 0 FGADHM CCc1ccc([C@@H](CNC(=O)CCc2ccc(C(=O)[O-])cc2)N(C)C)cc1 ZINC000737258541 600054095 /nfs/dbraw/zinc/05/40/95/600054095.db2.gz HQLKBCLSSYTOPH-HXUWFJFHSA-N -1 3 368.477 3.299 20 0 FGADHM O=C(NC1(c2cccc(-c3nnn[n-]3)c2)CC1)[C@@H]1CCCc2sccc21 ZINC000826427904 607416441 /nfs/dbraw/zinc/41/64/41/607416441.db2.gz GNEWIWDNURNXOS-OAHLLOKOSA-N -1 3 365.462 3.154 20 0 FGADHM O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)[C@@H]1CCCc2sccc21 ZINC000826427904 607416442 /nfs/dbraw/zinc/41/64/42/607416442.db2.gz GNEWIWDNURNXOS-OAHLLOKOSA-N -1 3 365.462 3.154 20 0 FGADHM O=C([O-])c1cc(F)ccc1CN1CCCN(Cc2ccc(F)cc2)CC1 ZINC000740079694 600085040 /nfs/dbraw/zinc/08/50/40/600085040.db2.gz RGDWBNPAIYMGNV-UHFFFAOYSA-N -1 3 360.404 3.371 20 0 FGADHM CC(=Cc1ccc(F)cc1)C(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000823943805 607419284 /nfs/dbraw/zinc/41/92/84/607419284.db2.gz UJTCDQVGPSNIFA-QBFSEMIESA-N -1 3 363.396 3.215 20 0 FGADHM CC(=Cc1ccc(F)cc1)C(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000823943805 607419285 /nfs/dbraw/zinc/41/92/85/607419285.db2.gz UJTCDQVGPSNIFA-QBFSEMIESA-N -1 3 363.396 3.215 20 0 FGADHM C[C@H](CC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1ccccc1F ZINC000824385346 607420693 /nfs/dbraw/zinc/42/06/93/607420693.db2.gz QZSPOWGIQVDSDS-CYBMUJFWSA-N -1 3 365.412 3.305 20 0 FGADHM C[C@H](CC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1ccccc1F ZINC000824385346 607420695 /nfs/dbraw/zinc/42/06/95/607420695.db2.gz QZSPOWGIQVDSDS-CYBMUJFWSA-N -1 3 365.412 3.305 20 0 FGADHM CC(C)CN(C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1)C1CC1 ZINC000820081292 607425175 /nfs/dbraw/zinc/42/51/75/607425175.db2.gz ANGMKWGOGFHGEU-UHFFFAOYSA-N -1 3 358.446 3.306 20 0 FGADHM CC(C)CN(C(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1)C1CC1 ZINC000820081292 607425177 /nfs/dbraw/zinc/42/51/77/607425177.db2.gz ANGMKWGOGFHGEU-UHFFFAOYSA-N -1 3 358.446 3.306 20 0 FGADHM CC(C)Oc1ccc(NC(=O)NCc2cccc(F)c2)cc1-c1nnn[n-]1 ZINC000820170012 607425782 /nfs/dbraw/zinc/42/57/82/607425782.db2.gz NRYGQHIVXAPTEF-UHFFFAOYSA-N -1 3 370.388 3.115 20 0 FGADHM CC(C)Oc1ccc(NC(=O)NCc2cccc(F)c2)cc1-c1nn[n-]n1 ZINC000820170012 607425784 /nfs/dbraw/zinc/42/57/84/607425784.db2.gz NRYGQHIVXAPTEF-UHFFFAOYSA-N -1 3 370.388 3.115 20 0 FGADHM O=C(CCc1ccc(Cl)cc1)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826408498 607426084 /nfs/dbraw/zinc/42/60/84/607426084.db2.gz IYJOEZLXNMBXLZ-UHFFFAOYSA-N -1 3 367.840 3.258 20 0 FGADHM O=C(CCc1ccc(Cl)cc1)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826408498 607426085 /nfs/dbraw/zinc/42/60/85/607426085.db2.gz IYJOEZLXNMBXLZ-UHFFFAOYSA-N -1 3 367.840 3.258 20 0 FGADHM Cc1ccc(Br)cc1C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826281144 607434302 /nfs/dbraw/zinc/43/43/02/607434302.db2.gz GPJVDYHHFHUXAF-UHFFFAOYSA-N -1 3 372.226 3.214 20 0 FGADHM Cc1ccc(Br)cc1C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826281144 607434303 /nfs/dbraw/zinc/43/43/03/607434303.db2.gz GPJVDYHHFHUXAF-UHFFFAOYSA-N -1 3 372.226 3.214 20 0 FGADHM CN(C(=O)c1cccc(-c2cscn2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825829960 607437533 /nfs/dbraw/zinc/43/75/33/607437533.db2.gz MGPPSUFDQRETMC-UHFFFAOYSA-N -1 3 362.418 3.267 20 0 FGADHM CN(C(=O)c1cccc(-c2cscn2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825829960 607437535 /nfs/dbraw/zinc/43/75/35/607437535.db2.gz MGPPSUFDQRETMC-UHFFFAOYSA-N -1 3 362.418 3.267 20 0 FGADHM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)CN1CCCC2(CCCCC2)C1 ZINC000739625651 600377890 /nfs/dbraw/zinc/37/78/90/600377890.db2.gz OZOQJFRREGDQOT-IBGZPJMESA-N -1 3 370.493 3.071 20 0 FGADHM C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)Nc2ccc(C(=O)[O-])cc2F)C1 ZINC000736723985 600398541 /nfs/dbraw/zinc/39/85/41/600398541.db2.gz HYWBAPBOEORXFW-BBRMVZONSA-N -1 3 371.412 3.481 20 0 FGADHM O=C([O-])[C@H](NCc1cc(Cl)c2c(c1)OCCO2)c1ccc(F)cc1 ZINC000739498772 600422566 /nfs/dbraw/zinc/42/25/66/600422566.db2.gz DQDOXMLNIJWDDR-OAHLLOKOSA-N -1 3 351.761 3.166 20 0 FGADHM O=C([O-])[C@H](NCc1ccc(Cl)nc1)c1ccc(Br)cc1 ZINC000739501322 600425813 /nfs/dbraw/zinc/42/58/13/600425813.db2.gz WRHHWYRYJLSVJJ-CYBMUJFWSA-N -1 3 355.619 3.413 20 0 FGADHM O=C([O-])Nc1ccc(CNC(=O)CN2CCC[C@]3(CC=CCC3)C2)cc1 ZINC000740025715 600450018 /nfs/dbraw/zinc/45/00/18/600450018.db2.gz VAPNUFRBAIVJCQ-HXUWFJFHSA-N -1 3 357.454 3.215 20 0 FGADHM O=C([O-])c1ccc(NC(=O)NC[C@@H]2CCCN2Cc2ccccc2)c(F)c1 ZINC000390643166 600543573 /nfs/dbraw/zinc/54/35/73/600543573.db2.gz LLOILBGPKCZCIR-INIZCTEOSA-N -1 3 371.412 3.310 20 0 FGADHM CC1(CNC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)CCCCC1 ZINC000824823844 607459770 /nfs/dbraw/zinc/45/97/70/607459770.db2.gz POKFNBSVESQKNZ-UHFFFAOYSA-N -1 3 354.458 3.125 20 0 FGADHM CC1(CNC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)CCCCC1 ZINC000824823844 607459771 /nfs/dbraw/zinc/45/97/71/607459771.db2.gz POKFNBSVESQKNZ-UHFFFAOYSA-N -1 3 354.458 3.125 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)ccc1OCc1noc(C2CCCCC2)n1 ZINC000821394176 607463300 /nfs/dbraw/zinc/46/33/00/607463300.db2.gz IVXPQNFBGFSVMY-UHFFFAOYSA-N -1 3 370.413 3.275 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)ccc1OCc1noc(C2CCCCC2)n1 ZINC000821394176 607463302 /nfs/dbraw/zinc/46/33/02/607463302.db2.gz IVXPQNFBGFSVMY-UHFFFAOYSA-N -1 3 370.413 3.275 20 0 FGADHM O=C([O-])[C@@H]1CCC[C@H](C(=O)N[C@H](CN2CCCCC2)c2ccccc2)C1 ZINC000833182763 600926630 /nfs/dbraw/zinc/92/66/30/600926630.db2.gz GJISVRFYUNDBPD-IPMKNSEASA-N -1 3 358.482 3.221 20 0 FGADHM C[C@@H]1CC[C@@H](C)N1CC(=O)NC[C@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000828214406 600951071 /nfs/dbraw/zinc/95/10/71/600951071.db2.gz MDZVZRHPMUQDKI-QINHECLXSA-N -1 3 368.477 3.072 20 0 FGADHM CCCC[C@@H](C(=O)[O-])N1CCN([C@H](C)c2nc(-c3ccccc3)no2)CC1 ZINC000829275179 600987560 /nfs/dbraw/zinc/98/75/60/600987560.db2.gz BEVRSLHPDKZADP-WBVHZDCISA-N -1 3 372.469 3.059 20 0 FGADHM COc1ccc(-c2nc(CN[C@](C)(C(=O)[O-])C3CC3)cs2)c(OC)c1 ZINC000832130078 601176110 /nfs/dbraw/zinc/17/61/10/601176110.db2.gz XEBIBPNZKPOKJV-SFHVURJKSA-N -1 3 362.451 3.170 20 0 FGADHM COc1ccc(CN(C)Cc2ccc(F)cc2Cl)cc1-c1nnn[n-]1 ZINC000826193281 607499472 /nfs/dbraw/zinc/49/94/72/607499472.db2.gz YNXNRVREYBZBRG-UHFFFAOYSA-N -1 3 361.808 3.300 20 0 FGADHM COc1ccc(CN(C)Cc2ccc(F)cc2Cl)cc1-c1nn[n-]n1 ZINC000826193281 607499473 /nfs/dbraw/zinc/49/94/73/607499473.db2.gz YNXNRVREYBZBRG-UHFFFAOYSA-N -1 3 361.808 3.300 20 0 FGADHM CC(C)c1ncc(C(=O)OCCCOc2cccc(-c3nnn[n-]3)c2)s1 ZINC000820206515 607505031 /nfs/dbraw/zinc/50/50/31/607505031.db2.gz ODACDKMFAJPGRA-UHFFFAOYSA-N -1 3 373.438 3.073 20 0 FGADHM CC(C)c1ncc(C(=O)OCCCOc2cccc(-c3nn[n-]n3)c2)s1 ZINC000820206515 607505033 /nfs/dbraw/zinc/50/50/33/607505033.db2.gz ODACDKMFAJPGRA-UHFFFAOYSA-N -1 3 373.438 3.073 20 0 FGADHM C[C@@H](C(=O)[O-])[C@H](NC(=O)c1cccc(CN2CCCC2)c1)c1ccccc1 ZINC000826045645 601394215 /nfs/dbraw/zinc/39/42/15/601394215.db2.gz WESDGPQKJSNVAU-UZLBHIALSA-N -1 3 366.461 3.474 20 0 FGADHM CCCCN(C)C(=O)C1CCN(Cc2cc(C(=O)[O-])oc2CC)CC1 ZINC000829381027 601413006 /nfs/dbraw/zinc/41/30/06/601413006.db2.gz IKIRDGGFBZEPHV-UHFFFAOYSA-N -1 3 350.459 3.011 20 0 FGADHM C[C@@H]1CN([C@H](c2nc(-c3ccccc3)no2)c2ccccc2)C[C@@H]1C(=O)[O-] ZINC000828420235 601504846 /nfs/dbraw/zinc/50/48/46/601504846.db2.gz BJZAUDYNLFRYGQ-JLSDUUJJSA-N -1 3 363.417 3.479 20 0 FGADHM O=C([O-])c1ccc(CN[C@H]2CCN(c3ccccc3Br)C2)o1 ZINC000833314459 601560604 /nfs/dbraw/zinc/56/06/04/601560604.db2.gz KTCDJLKZZFMHMJ-NSHDSACASA-N -1 3 365.227 3.109 20 0 FGADHM O=C([O-])CC1(NCc2csc(-c3ccc(F)cc3)n2)CCOCC1 ZINC000662211625 601560675 /nfs/dbraw/zinc/56/06/75/601560675.db2.gz CSICBSVEQWYBBA-UHFFFAOYSA-N -1 3 350.415 3.063 20 0 FGADHM C[C@H](C(=O)[O-])[C@H](NCC(=O)N(C)[C@@H](C)c1ccc(F)cc1)c1ccccc1 ZINC000826045406 601655416 /nfs/dbraw/zinc/65/54/16/601655416.db2.gz TUOJDNNRVDYZRS-AVYPCKFXSA-N -1 3 372.440 3.397 20 0 FGADHM Cc1ccc(CN[C@@H](C(=O)[O-])c2ccccc2)c(OC[C@H]2CCCO2)c1 ZINC000832933682 601850714 /nfs/dbraw/zinc/85/07/14/601850714.db2.gz HWJOPOZWXFRVGJ-UYAOXDASSA-N -1 3 355.434 3.468 20 0 FGADHM CN(C(=O)CN1CC[C@](C)(C(=O)[O-])C1)C(c1ccccc1)c1ccccc1 ZINC000263185902 601935722 /nfs/dbraw/zinc/93/57/22/601935722.db2.gz SCNQKQVBOCDPDW-QFIPXVFZSA-N -1 3 366.461 3.031 20 0 FGADHM C[C@@H]1C[C@@H](NC(=O)Nc2ccc(C(=O)[O-])cc2F)CN1Cc1ccccc1 ZINC000398179216 602038695 /nfs/dbraw/zinc/03/86/95/602038695.db2.gz JUWVXFBQLHYEOW-CZUORRHYSA-N -1 3 371.412 3.308 20 0 FGADHM COc1ccc(CNc2cccc(-c3ccnc(C)n3)c2)cc1-c1nnn[n-]1 ZINC000826204050 607547445 /nfs/dbraw/zinc/54/74/45/607547445.db2.gz UVPOXZCGAOOYJO-UHFFFAOYSA-N -1 3 373.420 3.253 20 0 FGADHM COc1ccc(CNc2cccc(-c3ccnc(C)n3)c2)cc1-c1nn[n-]n1 ZINC000826204050 607547446 /nfs/dbraw/zinc/54/74/46/607547446.db2.gz UVPOXZCGAOOYJO-UHFFFAOYSA-N -1 3 373.420 3.253 20 0 FGADHM CCC(CC)[C@@H](CCNC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1)OC ZINC000825096970 607563051 /nfs/dbraw/zinc/56/30/51/607563051.db2.gz RNAASMAYCYTKGE-CXAGYDPISA-N -1 3 374.489 3.068 20 0 FGADHM CCC(CC)[C@@H](CCNC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1)OC ZINC000825096970 607563053 /nfs/dbraw/zinc/56/30/53/607563053.db2.gz RNAASMAYCYTKGE-CXAGYDPISA-N -1 3 374.489 3.068 20 0 FGADHM O=C([O-])Nc1cc(C(=O)NCCCN2CCc3ccccc3C2)ccc1F ZINC000740696844 602484230 /nfs/dbraw/zinc/48/42/30/602484230.db2.gz VFVPDMZCWFWNPZ-UHFFFAOYSA-N -1 3 371.412 3.094 20 0 FGADHM CN(C(=O)[O-])C1CCN(Cc2ccc(OCc3ccccn3)cc2)CC1 ZINC000737937692 602537461 /nfs/dbraw/zinc/53/74/61/602537461.db2.gz MXUHNOWSTIYEML-UHFFFAOYSA-N -1 3 355.438 3.235 20 0 FGADHM Cc1cccc(S(=O)(=O)Oc2ccccc2C(C)C)c1-c1nnn[n-]1 ZINC000826304248 607576135 /nfs/dbraw/zinc/57/61/35/607576135.db2.gz DKKXUUMLRKEGOI-UHFFFAOYSA-N -1 3 358.423 3.066 20 0 FGADHM Cc1nn(-c2cccc(Cl)c2)c(Cl)c1CNCCCNC(=O)[O-] ZINC000740245547 602647994 /nfs/dbraw/zinc/64/79/94/602647994.db2.gz HYPINMFSELSITP-UHFFFAOYSA-N -1 3 357.241 3.235 20 0 FGADHM COc1ccc(CNC(=O)c2ccc3sccc3c2)cc1-c1nnn[n-]1 ZINC000826201380 607585085 /nfs/dbraw/zinc/58/50/85/607585085.db2.gz NGZYZSDWORMAKE-UHFFFAOYSA-N -1 3 365.418 3.020 20 0 FGADHM COc1ccc(CNC(=O)c2ccc3sccc3c2)cc1-c1nn[n-]n1 ZINC000826201380 607585087 /nfs/dbraw/zinc/58/50/87/607585087.db2.gz NGZYZSDWORMAKE-UHFFFAOYSA-N -1 3 365.418 3.020 20 0 FGADHM C[C@@H](NC(=O)c1oc2ccccc2c1CN(C)C)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739029645 603097842 /nfs/dbraw/zinc/09/78/42/603097842.db2.gz FOXQAKZZQWNSIP-ZIAGYGMSSA-N -1 3 373.453 3.003 20 0 FGADHM COc1ccc(COC(=O)[C@H](C)c2cccc(C)c2)cc1-c1nnn[n-]1 ZINC000826204484 607608990 /nfs/dbraw/zinc/60/89/90/607608990.db2.gz MYKCOJQWFWSDTD-CYBMUJFWSA-N -1 3 352.394 3.031 20 0 FGADHM COc1ccc(COC(=O)[C@H](C)c2cccc(C)c2)cc1-c1nn[n-]n1 ZINC000826204484 607608993 /nfs/dbraw/zinc/60/89/93/607608993.db2.gz MYKCOJQWFWSDTD-CYBMUJFWSA-N -1 3 352.394 3.031 20 0 FGADHM COc1ccc(COC(=O)C(C)=Cc2ccc(F)cc2)cc1-c1nnn[n-]1 ZINC000826204480 607612266 /nfs/dbraw/zinc/61/22/66/607612266.db2.gz MSOXZZKZDAJHQA-XFXZXTDPSA-N -1 3 368.368 3.161 20 0 FGADHM COc1ccc(COC(=O)C(C)=Cc2ccc(F)cc2)cc1-c1nn[n-]n1 ZINC000826204480 607612267 /nfs/dbraw/zinc/61/22/67/607612267.db2.gz MSOXZZKZDAJHQA-XFXZXTDPSA-N -1 3 368.368 3.161 20 0 FGADHM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)NC[C@@H](C)N1CCCCC1 ZINC000829181684 603376894 /nfs/dbraw/zinc/37/68/94/603376894.db2.gz ANKAEGOIXWNJJY-LLVKDONJSA-N -1 3 369.849 3.043 20 0 FGADHM CC(C)[C@H](CCN(C)C(=O)c1cccc(CN2CCCC2)c1)NC(=O)[O-] ZINC000824091561 603559950 /nfs/dbraw/zinc/55/99/50/603559950.db2.gz HBVZSSSDHQWWAC-SFHVURJKSA-N -1 3 361.486 3.037 20 0 FGADHM CCN(CC(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1)c1ccc(C)cc1C ZINC000825399439 607641930 /nfs/dbraw/zinc/64/19/30/607641930.db2.gz TZHWOPJHWXJBGX-UHFFFAOYSA-N -1 3 368.441 3.158 20 0 FGADHM O=C([O-])N[C@H](CNCc1cnc(-c2ccncc2)s1)c1ccccc1 ZINC000832141474 603902718 /nfs/dbraw/zinc/90/27/18/603902718.db2.gz SDKRJFWHKDJHCR-MRXNPFEDSA-N -1 3 354.435 3.304 20 0 FGADHM CCOc1ccccc1[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000825654370 607659326 /nfs/dbraw/zinc/65/93/26/607659326.db2.gz YYQHWXOSPKDTEH-ZDUSSCGKSA-N -1 3 351.410 3.065 20 0 FGADHM CCOc1ccccc1[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000825654370 607659329 /nfs/dbraw/zinc/65/93/29/607659329.db2.gz YYQHWXOSPKDTEH-ZDUSSCGKSA-N -1 3 351.410 3.065 20 0 FGADHM CCC(=O)Nc1ccc(C)c(NC(=O)c2ccc(-c3nnn[n-]3)cc2C)c1 ZINC000825035241 607662403 /nfs/dbraw/zinc/66/24/03/607662403.db2.gz YRVHCCVWHCBUKO-UHFFFAOYSA-N -1 3 364.409 3.084 20 0 FGADHM CCC(=O)Nc1ccc(C)c(NC(=O)c2ccc(-c3nn[n-]n3)cc2C)c1 ZINC000825035241 607662404 /nfs/dbraw/zinc/66/24/04/607662404.db2.gz YRVHCCVWHCBUKO-UHFFFAOYSA-N -1 3 364.409 3.084 20 0 FGADHM Cc1ccc(Br)cc1NC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000826281238 607665942 /nfs/dbraw/zinc/66/59/42/607665942.db2.gz KLIHVRGNNMAXGO-UHFFFAOYSA-N -1 3 372.226 3.498 20 0 FGADHM Cc1ccc(Br)cc1NC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000826281238 607665944 /nfs/dbraw/zinc/66/59/44/607665944.db2.gz KLIHVRGNNMAXGO-UHFFFAOYSA-N -1 3 372.226 3.498 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccnn1C1CCCCC1 ZINC000826250424 607681299 /nfs/dbraw/zinc/68/12/99/607681299.db2.gz AKLXMRYUYKBWMU-UHFFFAOYSA-N -1 3 351.414 3.129 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccnn1C1CCCCC1 ZINC000826250424 607681301 /nfs/dbraw/zinc/68/13/01/607681301.db2.gz AKLXMRYUYKBWMU-UHFFFAOYSA-N -1 3 351.414 3.129 20 0 FGADHM C[C@H](NC1CCN(C(=O)[O-])CC1)c1ccccc1I ZINC000825479697 604262070 /nfs/dbraw/zinc/26/20/70/604262070.db2.gz PMOPSWNTHWISSI-JTQLQIEISA-N -1 3 374.222 3.084 20 0 FGADHM CCc1ccc(NCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)cc1F ZINC000825717166 607687347 /nfs/dbraw/zinc/68/73/47/607687347.db2.gz ICEZPYLMDDDCHC-UHFFFAOYSA-N -1 3 365.372 3.230 20 0 FGADHM CCc1ccc(NCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)cc1F ZINC000825717166 607687349 /nfs/dbraw/zinc/68/73/49/607687349.db2.gz ICEZPYLMDDDCHC-UHFFFAOYSA-N -1 3 365.372 3.230 20 0 FGADHM O=C([O-])N1CCC[C@H](N[C@@H]2CCCOc3c(Br)cccc32)C1 ZINC000833278790 604288270 /nfs/dbraw/zinc/28/82/70/604288270.db2.gz IPCKMKUCQZDEMR-SMDDNHRTSA-N -1 3 369.259 3.395 20 0 FGADHM c1cc(-c2nc(C(c3ccccc3)c3ccccc3)no2)[nH]c1-c1nnn[n-]1 ZINC000826520163 607685443 /nfs/dbraw/zinc/68/54/43/607685443.db2.gz BLRIFFKYBZKXQQ-UHFFFAOYSA-N -1 3 369.388 3.425 20 0 FGADHM c1cc(-c2nc(C(c3ccccc3)c3ccccc3)no2)[nH]c1-c1nn[n-]n1 ZINC000826520163 607685446 /nfs/dbraw/zinc/68/54/46/607685446.db2.gz BLRIFFKYBZKXQQ-UHFFFAOYSA-N -1 3 369.388 3.425 20 0 FGADHM CCc1ccc(NCC(=O)Nc2cc(Cl)ccc2-c2nnn[n-]2)cc1F ZINC000825717392 607687515 /nfs/dbraw/zinc/68/75/15/607687515.db2.gz JHCFHZHTAQMTBX-UHFFFAOYSA-N -1 3 374.807 3.272 20 0 FGADHM CCc1ccc(NCC(=O)Nc2cc(Cl)ccc2-c2nn[n-]n2)cc1F ZINC000825717392 607687516 /nfs/dbraw/zinc/68/75/16/607687516.db2.gz JHCFHZHTAQMTBX-UHFFFAOYSA-N -1 3 374.807 3.272 20 0 FGADHM CCCN(CC(C)C)C(=O)c1cc(C2CC2)nc(SC)c1-c1nnn[n-]1 ZINC000825308070 607695014 /nfs/dbraw/zinc/69/50/14/607695014.db2.gz UHOAISMHYCEBKS-UHFFFAOYSA-N -1 3 374.514 3.369 20 0 FGADHM CN(C(=O)Nc1cc(C(=O)[O-])cs1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000830500491 604490951 /nfs/dbraw/zinc/49/09/51/604490951.db2.gz RJGYNELGZPVPEP-OAHLLOKOSA-N -1 3 359.451 3.185 20 0 FGADHM O=C([O-])N1CCC(CNCc2csc(CCc3ccccc3)n2)CC1 ZINC000831883106 604520624 /nfs/dbraw/zinc/52/06/24/604520624.db2.gz FLZVQGGBURGTPO-UHFFFAOYSA-N -1 3 359.495 3.408 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1c(F)cccc1NC1CC1 ZINC000826249824 607699075 /nfs/dbraw/zinc/69/90/75/607699075.db2.gz WSRNIVUCMJEGQY-UHFFFAOYSA-N -1 3 352.373 3.141 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1c(F)cccc1NC1CC1 ZINC000826249824 607699076 /nfs/dbraw/zinc/69/90/76/607699076.db2.gz WSRNIVUCMJEGQY-UHFFFAOYSA-N -1 3 352.373 3.141 20 0 FGADHM Cc1ccc(C(=O)N2C[C@H](CN(C)C)Oc3ccccc32)cc1NC(=O)[O-] ZINC000830186408 604567350 /nfs/dbraw/zinc/56/73/50/604567350.db2.gz HBELXDFLKPIIKT-HNNXBMFYSA-N -1 3 369.421 3.054 20 0 FGADHM CN(Cc1ccccc1)c1ccc(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)cc1 ZINC000825981625 607702594 /nfs/dbraw/zinc/70/25/94/607702594.db2.gz VQGXHEZRGUXMFJ-UHFFFAOYSA-N -1 3 373.420 3.084 20 0 FGADHM CN(Cc1ccccc1)c1ccc(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)cc1 ZINC000825981625 607702596 /nfs/dbraw/zinc/70/25/96/607702596.db2.gz VQGXHEZRGUXMFJ-UHFFFAOYSA-N -1 3 373.420 3.084 20 0 FGADHM O=C(NCC1(c2cccc(Cl)c2)CCCC1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826434466 607706009 /nfs/dbraw/zinc/70/60/09/607706009.db2.gz NOPRAZKQYROPQY-UHFFFAOYSA-N -1 3 370.844 3.090 20 0 FGADHM O=C(NCC1(c2cccc(Cl)c2)CCCC1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826434466 607706011 /nfs/dbraw/zinc/70/60/11/607706011.db2.gz NOPRAZKQYROPQY-UHFFFAOYSA-N -1 3 370.844 3.090 20 0 FGADHM CC(C)c1cnc(CN(C)[C@H]2CCN(Cc3ccccc3C(=O)[O-])C2)o1 ZINC000833511503 604679542 /nfs/dbraw/zinc/67/95/42/604679542.db2.gz VVYLCZGVLISTRH-INIZCTEOSA-N -1 3 357.454 3.203 20 0 FGADHM CN(c1nc(Cl)c(C(=O)[O-])s1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000381893973 604831202 /nfs/dbraw/zinc/83/12/02/604831202.db2.gz SZVANNYGKHFWJM-LBPRGKRZSA-N -1 3 351.859 3.205 20 0 FGADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000679102945 604882589 /nfs/dbraw/zinc/88/25/89/604882589.db2.gz LIOXODSUHKWKJN-MSOLQXFVSA-N -1 3 358.482 3.000 20 0 FGADHM CN(C)Cc1cccc(C(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)c1 ZINC000830619314 604940393 /nfs/dbraw/zinc/94/03/93/604940393.db2.gz BPLCDGLSUATKCV-UHFFFAOYSA-N -1 3 362.813 3.117 20 0 FGADHM CC(C)(C(=O)[O-])[C@@H]1CCCN([C@@H]2CCN(c3cccc(Cl)c3)C2=O)C1 ZINC000833417833 604942372 /nfs/dbraw/zinc/94/23/72/604942372.db2.gz YUZLTWIQUQUZCY-CZUORRHYSA-N -1 3 364.873 3.268 20 0 FGADHM CN(Cc1ccco1)Cc1ccccc1CN[C@@H](C(=O)[O-])c1cccnc1 ZINC000830860841 605002815 /nfs/dbraw/zinc/00/28/15/605002815.db2.gz ZRFQBCMZONTQEL-HXUWFJFHSA-N -1 3 365.433 3.222 20 0 FGADHM Fc1cccc(N2CC[C@H](Oc3ccccc3Cl)C2)c1-c1nnn[n-]1 ZINC000826377220 607736979 /nfs/dbraw/zinc/73/69/79/607736979.db2.gz JOXQLAIPMNVQKQ-NSHDSACASA-N -1 3 359.792 3.317 20 0 FGADHM Fc1cccc(N2CC[C@H](Oc3ccccc3Cl)C2)c1-c1nn[n-]n1 ZINC000826377220 607736980 /nfs/dbraw/zinc/73/69/80/607736980.db2.gz JOXQLAIPMNVQKQ-NSHDSACASA-N -1 3 359.792 3.317 20 0 FGADHM C[C@@H]1CCCC[C@H]1N(C)C(=O)CN[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000833609542 605179472 /nfs/dbraw/zinc/17/94/72/605179472.db2.gz ASSZMJNKLJGMPD-SZVBFZGTSA-N -1 3 360.498 3.465 20 0 FGADHM CC(C)(C(=O)[O-])[C@@H](NCC(=O)Nc1nc2c(s1)CCC2)c1ccccc1 ZINC000833413941 605180243 /nfs/dbraw/zinc/18/02/43/605180243.db2.gz PCVRAQSULBYLQB-INIZCTEOSA-N -1 3 373.478 3.012 20 0 FGADHM Cn1ccnc1[C@@H]1CCN([C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)C1 ZINC000833760111 605220178 /nfs/dbraw/zinc/22/01/78/605220178.db2.gz LYUCZKOEAAKYIA-QMTHXVAHSA-N -1 3 354.237 3.342 20 0 FGADHM Cn1ccnc1[C@H]1CCN([C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)C1 ZINC000833761137 605220265 /nfs/dbraw/zinc/22/02/65/605220265.db2.gz YHSBBTYYZDBWHO-HZMBPMFUSA-N -1 3 354.237 3.342 20 0 FGADHM O=C([O-])N[C@@H]1CCC[C@@H]2CN(Cc3ccc(Oc4ccccc4)nn3)C[C@H]21 ZINC000834181470 605444156 /nfs/dbraw/zinc/44/41/56/605444156.db2.gz MIEGBVGXVQCZBA-ZTFGCOKTSA-N -1 3 368.437 3.137 20 0 FGADHM CCCN(CC(=O)Nc1c(C)cc(C)cc1C)C1CCN(C(=O)[O-])CC1 ZINC000826897398 605483264 /nfs/dbraw/zinc/48/32/64/605483264.db2.gz JPWBUFVJAKZRJJ-UHFFFAOYSA-N -1 3 361.486 3.405 20 0 FGADHM CS[C@H](C)CNC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000826225367 607763981 /nfs/dbraw/zinc/76/39/81/607763981.db2.gz AGMSNEYBMDOUHW-GFCCVEGCSA-N -1 3 353.451 3.015 20 0 FGADHM CS[C@H](C)CNC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000826225367 607763982 /nfs/dbraw/zinc/76/39/82/607763982.db2.gz AGMSNEYBMDOUHW-GFCCVEGCSA-N -1 3 353.451 3.015 20 0 FGADHM Cc1c(NC(=O)N2CC[C@@H]2c2cccc(F)c2)cccc1-c1nnn[n-]1 ZINC000826241402 607765033 /nfs/dbraw/zinc/76/50/33/607765033.db2.gz CDYHALYJNLKFOH-MRXNPFEDSA-N -1 3 352.373 3.293 20 0 FGADHM Cc1c(NC(=O)N2CC[C@@H]2c2cccc(F)c2)cccc1-c1nn[n-]n1 ZINC000826241402 607765034 /nfs/dbraw/zinc/76/50/34/607765034.db2.gz CDYHALYJNLKFOH-MRXNPFEDSA-N -1 3 352.373 3.293 20 0 FGADHM O=C([O-])N1CC[C@@]2(C1)C[C@H](NCCNc1ccccc1)c1ccccc1O2 ZINC000834088880 605640480 /nfs/dbraw/zinc/64/04/80/605640480.db2.gz ZPSUTSSOKWSPBG-RXVVDRJESA-N -1 3 367.449 3.334 20 0 FGADHM Cc1cc(C(=O)N2C[C@H](N(C)C)Cc3ccccc32)ccc1NC(=O)[O-] ZINC000829919659 605686141 /nfs/dbraw/zinc/68/61/41/605686141.db2.gz QDIYREUTLKVISY-MRXNPFEDSA-N -1 3 353.422 3.218 20 0 FGADHM O=C(C=Cc1ccco1)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000826402795 607771492 /nfs/dbraw/zinc/77/14/92/607771492.db2.gz BUMYHOBHDREISO-SREVYHEPSA-N -1 3 364.390 3.235 20 0 FGADHM O=C(C=Cc1ccco1)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826402795 607771493 /nfs/dbraw/zinc/77/14/93/607771493.db2.gz BUMYHOBHDREISO-SREVYHEPSA-N -1 3 364.390 3.235 20 0 FGADHM O=C([O-])N[C@@H]1C[C@H](NCc2ccc(N3CCCC3=O)cc2)c2ccccc21 ZINC000834157167 605788878 /nfs/dbraw/zinc/78/88/78/605788878.db2.gz GOHZRVHUEJNDIY-RBUKOAKNSA-N -1 3 365.433 3.357 20 0 FGADHM Cc1cc(C(F)(F)F)c(-c2nnn[n-]2)c(SCCCCCCO)n1 ZINC000822192119 606020909 /nfs/dbraw/zinc/02/09/09/606020909.db2.gz ZICYNJMTYKCNLN-UHFFFAOYSA-N -1 3 361.393 3.234 20 0 FGADHM O[C@@H](CNc1nc2ccccc2cc1-c1nnn[n-]1)c1ccc(Cl)cc1 ZINC000823690439 606036374 /nfs/dbraw/zinc/03/63/74/606036374.db2.gz ORMZNLTVBSVTHU-INIZCTEOSA-N -1 3 366.812 3.214 20 0 FGADHM O[C@@H](CNc1nc2ccccc2cc1-c1nn[n-]n1)c1ccc(Cl)cc1 ZINC000823690439 606036378 /nfs/dbraw/zinc/03/63/78/606036378.db2.gz ORMZNLTVBSVTHU-INIZCTEOSA-N -1 3 366.812 3.214 20 0 FGADHM C[C@H](Nc1ccc(-c2nnn[n-]2)nc1)c1ccc(OCc2cccnc2)cc1 ZINC000820456317 606041674 /nfs/dbraw/zinc/04/16/74/606041674.db2.gz SJZUJVJEPFQEDJ-AWEZNQCLSA-N -1 3 373.420 3.409 20 0 FGADHM C[C@H](Nc1ccc(-c2nn[n-]n2)nc1)c1ccc(OCc2cccnc2)cc1 ZINC000820456317 606041679 /nfs/dbraw/zinc/04/16/79/606041679.db2.gz SJZUJVJEPFQEDJ-AWEZNQCLSA-N -1 3 373.420 3.409 20 0 FGADHM CN(Cc1nc(C(F)(F)F)cs1)c1ccc(F)cc1-c1nnn[n-]1 ZINC000821616947 606044248 /nfs/dbraw/zinc/04/42/48/606044248.db2.gz PMVAHSFRPXXYNI-UHFFFAOYSA-N -1 3 358.324 3.118 20 0 FGADHM CN(Cc1nc(C(F)(F)F)cs1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000821616947 606044252 /nfs/dbraw/zinc/04/42/52/606044252.db2.gz PMVAHSFRPXXYNI-UHFFFAOYSA-N -1 3 358.324 3.118 20 0 FGADHM c1ccc([C@H]2CN(c3ccc(-c4nnn[n-]4)nc3)Cc3ccccc32)cc1 ZINC000823780420 606045329 /nfs/dbraw/zinc/04/53/29/606045329.db2.gz SQSGFZWKFNEKSZ-LJQANCHMSA-N -1 3 354.417 3.414 20 0 FGADHM c1ccc([C@H]2CN(c3ccc(-c4nn[n-]n4)nc3)Cc3ccccc32)cc1 ZINC000823780420 606045333 /nfs/dbraw/zinc/04/53/33/606045333.db2.gz SQSGFZWKFNEKSZ-LJQANCHMSA-N -1 3 354.417 3.414 20 0 FGADHM COc1ccc([C@H]2CCN(c3nc4ccccc4cc3-c3nnn[n-]3)C2)cc1 ZINC000821787168 606068258 /nfs/dbraw/zinc/06/82/58/606068258.db2.gz PHSLYNRFABZAQK-INIZCTEOSA-N -1 3 372.432 3.417 20 0 FGADHM COc1ccc([C@H]2CCN(c3nc4ccccc4cc3-c3nn[n-]n3)C2)cc1 ZINC000821787168 606068263 /nfs/dbraw/zinc/06/82/63/606068263.db2.gz PHSLYNRFABZAQK-INIZCTEOSA-N -1 3 372.432 3.417 20 0 FGADHM CCCO[C@H]1CCCN(c2nc3ccccc3cc2-c2nnn[n-]2)CC1 ZINC000821128000 606076809 /nfs/dbraw/zinc/07/68/09/606076809.db2.gz OLYINVOJOWVZKO-HNNXBMFYSA-N -1 3 352.442 3.200 20 0 FGADHM CCCO[C@H]1CCCN(c2nc3ccccc3cc2-c2nn[n-]n2)CC1 ZINC000821128000 606076813 /nfs/dbraw/zinc/07/68/13/606076813.db2.gz OLYINVOJOWVZKO-HNNXBMFYSA-N -1 3 352.442 3.200 20 0 FGADHM COc1ccc2oc([C@@H](C)Nc3ccc(-c4nnn[n-]4)nc3)c(C)c2c1 ZINC000821854591 606078634 /nfs/dbraw/zinc/07/86/34/606078634.db2.gz OOZYFGARSYSBEP-LLVKDONJSA-N -1 3 350.382 3.498 20 0 FGADHM COc1ccc2oc([C@@H](C)Nc3ccc(-c4nn[n-]n4)nc3)c(C)c2c1 ZINC000821854591 606078639 /nfs/dbraw/zinc/07/86/39/606078639.db2.gz OOZYFGARSYSBEP-LLVKDONJSA-N -1 3 350.382 3.498 20 0 FGADHM Cc1cccn2cc(CCNc3nc4ccccc4cc3-c3nnn[n-]3)nc12 ZINC000822366648 606099587 /nfs/dbraw/zinc/09/95/87/606099587.db2.gz QSTBIFRNEWQUIQ-UHFFFAOYSA-N -1 3 370.420 3.026 20 0 FGADHM Cc1cccn2cc(CCNc3nc4ccccc4cc3-c3nn[n-]n3)nc12 ZINC000822366648 606099591 /nfs/dbraw/zinc/09/95/91/606099591.db2.gz QSTBIFRNEWQUIQ-UHFFFAOYSA-N -1 3 370.420 3.026 20 0 FGADHM C[C@@H]1[C@H](Cc2ccccc2)CCN1C(=O)c1sccc1-c1nnn[n-]1 ZINC000820642446 606104397 /nfs/dbraw/zinc/10/43/97/606104397.db2.gz IHVMGUOHLNHXEQ-OCCSQVGLSA-N -1 3 353.451 3.022 20 0 FGADHM C[C@@H]1[C@H](Cc2ccccc2)CCN1C(=O)c1sccc1-c1nn[n-]n1 ZINC000820642446 606104399 /nfs/dbraw/zinc/10/43/99/606104399.db2.gz IHVMGUOHLNHXEQ-OCCSQVGLSA-N -1 3 353.451 3.022 20 0 FGADHM CSCc1cc(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)ccc1F ZINC000821969545 606108380 /nfs/dbraw/zinc/10/83/80/606108380.db2.gz BHIHQVNBPYIRBE-UHFFFAOYSA-N -1 3 361.377 3.260 20 0 FGADHM CSCc1cc(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)ccc1F ZINC000821969545 606108382 /nfs/dbraw/zinc/10/83/82/606108382.db2.gz BHIHQVNBPYIRBE-UHFFFAOYSA-N -1 3 361.377 3.260 20 0 FGADHM C[C@@H]1CCN(C(=O)c2sccc2-c2nnn[n-]2)[C@H]1c1cccc(F)c1 ZINC000820717880 606109867 /nfs/dbraw/zinc/10/98/67/606109867.db2.gz YAIFYKRESMZCNQ-QMTHXVAHSA-N -1 3 357.414 3.291 20 0 FGADHM C[C@@H]1CCN(C(=O)c2sccc2-c2nn[n-]n2)[C@H]1c1cccc(F)c1 ZINC000820717880 606109869 /nfs/dbraw/zinc/10/98/69/606109869.db2.gz YAIFYKRESMZCNQ-QMTHXVAHSA-N -1 3 357.414 3.291 20 0 FGADHM C[C@H](c1ccccc1)[C@H](C)NC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820351641 606119666 /nfs/dbraw/zinc/11/96/66/606119666.db2.gz QKVABZKQVAMSNB-KKUMJFAQSA-N -1 3 364.453 3.419 20 0 FGADHM C[C@H](c1ccccc1)[C@H](C)NC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820351641 606119667 /nfs/dbraw/zinc/11/96/67/606119667.db2.gz QKVABZKQVAMSNB-KKUMJFAQSA-N -1 3 364.453 3.419 20 0 FGADHM CCO[C@@H](CCNC(=O)Nc1cc(-c2nnn[n-]2)ccc1C)C1CCCC1 ZINC000821350827 606119961 /nfs/dbraw/zinc/11/99/61/606119961.db2.gz DYEZHJKOZRVKKI-KRWDZBQOSA-N -1 3 372.473 3.282 20 0 FGADHM CCO[C@@H](CCNC(=O)Nc1cc(-c2nn[n-]n2)ccc1C)C1CCCC1 ZINC000821350827 606119963 /nfs/dbraw/zinc/11/99/63/606119963.db2.gz DYEZHJKOZRVKKI-KRWDZBQOSA-N -1 3 372.473 3.282 20 0 FGADHM CC1(C(=O)Nc2ncc(Cc3ccc(-c4nnn[n-]4)cc3)s2)CCC1 ZINC000820577499 606126032 /nfs/dbraw/zinc/12/60/32/606126032.db2.gz QGAJNHJFHYZIMQ-UHFFFAOYSA-N -1 3 354.439 3.043 20 0 FGADHM CC1(C(=O)Nc2ncc(Cc3ccc(-c4nn[n-]n4)cc3)s2)CCC1 ZINC000820577499 606126033 /nfs/dbraw/zinc/12/60/33/606126033.db2.gz QGAJNHJFHYZIMQ-UHFFFAOYSA-N -1 3 354.439 3.043 20 0 FGADHM CC[C@@H](Oc1cccc(C)c1)C(=O)OCc1ccccc1-c1nnn[n-]1 ZINC000820937866 606140161 /nfs/dbraw/zinc/14/01/61/606140161.db2.gz FCWRUBXYYSAGDU-QGZVFWFLSA-N -1 3 352.394 3.076 20 0 FGADHM CC[C@@H](Oc1cccc(C)c1)C(=O)OCc1ccccc1-c1nn[n-]n1 ZINC000820937866 606140162 /nfs/dbraw/zinc/14/01/62/606140162.db2.gz FCWRUBXYYSAGDU-QGZVFWFLSA-N -1 3 352.394 3.076 20 0 FGADHM CCO[C@@H](CCNc1ncc(-c2nnn[n-]2)cc1Cl)C1CCCC1 ZINC000821351664 606143773 /nfs/dbraw/zinc/14/37/73/606143773.db2.gz UUTPVMGBECVWAV-AWEZNQCLSA-N -1 3 350.854 3.312 20 0 FGADHM CCO[C@@H](CCNc1ncc(-c2nn[n-]n2)cc1Cl)C1CCCC1 ZINC000821351664 606143774 /nfs/dbraw/zinc/14/37/74/606143774.db2.gz UUTPVMGBECVWAV-AWEZNQCLSA-N -1 3 350.854 3.312 20 0 FGADHM CC[C@H](Oc1ccccc1C)C(=O)OCc1cccc(-c2nnn[n-]2)c1 ZINC000820937738 606148314 /nfs/dbraw/zinc/14/83/14/606148314.db2.gz CHYMIIHCCUDGSC-INIZCTEOSA-N -1 3 352.394 3.076 20 0 FGADHM CC[C@H](Oc1ccccc1C)C(=O)OCc1cccc(-c2nn[n-]n2)c1 ZINC000820937738 606148317 /nfs/dbraw/zinc/14/83/17/606148317.db2.gz CHYMIIHCCUDGSC-INIZCTEOSA-N -1 3 352.394 3.076 20 0 FGADHM C[C@H](c1ccccc1)[C@H](C)NC(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000820403687 606167225 /nfs/dbraw/zinc/16/72/25/606167225.db2.gz KYPCZSZANUOISL-STQMWFEESA-N -1 3 352.467 3.345 20 0 FGADHM C[C@H](c1ccccc1)[C@H](C)NC(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000820403687 606167226 /nfs/dbraw/zinc/16/72/26/606167226.db2.gz KYPCZSZANUOISL-STQMWFEESA-N -1 3 352.467 3.345 20 0 FGADHM C[C@@H]1Sc2ccccc2N(C(=O)c2cccc(-c3nnn[n-]3)c2)[C@H]1C ZINC000820822549 606190099 /nfs/dbraw/zinc/19/00/99/606190099.db2.gz ZJPIVYGCHMXRIX-RYUDHWBXSA-N -1 3 351.435 3.396 20 0 FGADHM C[C@@H]1Sc2ccccc2N(C(=O)c2cccc(-c3nn[n-]n3)c2)[C@H]1C ZINC000820822549 606190101 /nfs/dbraw/zinc/19/01/01/606190101.db2.gz ZJPIVYGCHMXRIX-RYUDHWBXSA-N -1 3 351.435 3.396 20 0 FGADHM Cc1ccccc1[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)cn1)C(C)(C)C ZINC000822352133 606190331 /nfs/dbraw/zinc/19/03/31/606190331.db2.gz UWJRBJUODCOPOO-MRXNPFEDSA-N -1 3 350.426 3.087 20 0 FGADHM Cc1ccccc1[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)cn1)C(C)(C)C ZINC000822352133 606190332 /nfs/dbraw/zinc/19/03/32/606190332.db2.gz UWJRBJUODCOPOO-MRXNPFEDSA-N -1 3 350.426 3.087 20 0 FGADHM C[C@@H]1Sc2ccccc2N(C(=O)Cc2cccc(-c3nnn[n-]3)c2)[C@H]1C ZINC000820819822 606190842 /nfs/dbraw/zinc/19/08/42/606190842.db2.gz LFLGPZWYMXUCNQ-STQMWFEESA-N -1 3 365.462 3.325 20 0 FGADHM C[C@@H]1Sc2ccccc2N(C(=O)Cc2cccc(-c3nn[n-]n3)c2)[C@H]1C ZINC000820819822 606190843 /nfs/dbraw/zinc/19/08/43/606190843.db2.gz LFLGPZWYMXUCNQ-STQMWFEESA-N -1 3 365.462 3.325 20 0 FGADHM O=C(CC[C@@H]1CCOC1)Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822950422 606208417 /nfs/dbraw/zinc/20/84/17/606208417.db2.gz NMNDKTXRLIKUJC-CQSZACIVSA-N -1 3 364.405 3.256 20 0 FGADHM O=C(CC[C@@H]1CCOC1)Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822950422 606208419 /nfs/dbraw/zinc/20/84/19/606208419.db2.gz NMNDKTXRLIKUJC-CQSZACIVSA-N -1 3 364.405 3.256 20 0 FGADHM CC(C)CCCCCC(=O)O[C@@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000820073915 606226342 /nfs/dbraw/zinc/22/63/42/606226342.db2.gz XATJHOMSJKOOGM-AWEZNQCLSA-N -1 3 373.457 3.343 20 0 FGADHM CC(C)CCCCCC(=O)O[C@@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000820073915 606226344 /nfs/dbraw/zinc/22/63/44/606226344.db2.gz XATJHOMSJKOOGM-AWEZNQCLSA-N -1 3 373.457 3.343 20 0 FGADHM C[C@@]1(CNc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)CCCC[C@@H]1O ZINC000820622988 606242419 /nfs/dbraw/zinc/24/24/19/606242419.db2.gz ATTVOZRAYIIJTA-ZFWWWQNUSA-N -1 3 355.364 3.239 20 0 FGADHM Cc1ccc(-c2csc(NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)n2)c(C)c1 ZINC000822213995 606249651 /nfs/dbraw/zinc/24/96/51/606249651.db2.gz KSVUVYHSLHWFRJ-UHFFFAOYSA-N -1 3 365.422 3.187 20 0 FGADHM Cc1ccc(-c2csc(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)n2)c(C)c1 ZINC000822213995 606249653 /nfs/dbraw/zinc/24/96/53/606249653.db2.gz KSVUVYHSLHWFRJ-UHFFFAOYSA-N -1 3 365.422 3.187 20 0 FGADHM CC(C)=C(C)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000820005151 606277487 /nfs/dbraw/zinc/27/74/87/606277487.db2.gz KRJLTWIEZXENCD-UHFFFAOYSA-N -1 3 350.382 3.349 20 0 FGADHM CC(C)=C(C)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000820005151 606277488 /nfs/dbraw/zinc/27/74/88/606277488.db2.gz KRJLTWIEZXENCD-UHFFFAOYSA-N -1 3 350.382 3.349 20 0 FGADHM O=C(N[C@H](c1ccc(Cl)cc1)C1CCC1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823139744 606277819 /nfs/dbraw/zinc/27/78/19/606277819.db2.gz LGDHJZVDHQAIRM-HNNXBMFYSA-N -1 3 356.817 3.119 20 0 FGADHM O=C(N[C@H](c1ccc(Cl)cc1)C1CCC1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823139744 606277820 /nfs/dbraw/zinc/27/78/20/606277820.db2.gz LGDHJZVDHQAIRM-HNNXBMFYSA-N -1 3 356.817 3.119 20 0 FGADHM CC(C)C[C@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1ccc(Cl)cc1 ZINC000820055867 606279779 /nfs/dbraw/zinc/27/97/79/606279779.db2.gz LAYOIZHZNCLGJQ-AWEZNQCLSA-N -1 3 358.833 3.365 20 0 FGADHM CC(C)C[C@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1ccc(Cl)cc1 ZINC000820055867 606279780 /nfs/dbraw/zinc/27/97/80/606279780.db2.gz LAYOIZHZNCLGJQ-AWEZNQCLSA-N -1 3 358.833 3.365 20 0 FGADHM Cc1ccc(SCCS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c(C)c1 ZINC000822271116 606308286 /nfs/dbraw/zinc/30/82/86/606308286.db2.gz NBHOYZFGRVWBIK-UHFFFAOYSA-N -1 3 374.491 3.050 20 0 FGADHM Cc1ccc(SCCS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c(C)c1 ZINC000822271116 606308289 /nfs/dbraw/zinc/30/82/89/606308289.db2.gz NBHOYZFGRVWBIK-UHFFFAOYSA-N -1 3 374.491 3.050 20 0 FGADHM O=C(OCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)[C@H]1CCCS1 ZINC000823417536 606311605 /nfs/dbraw/zinc/31/16/05/606311605.db2.gz CIVHDNNIWXGWNB-QGZVFWFLSA-N -1 3 366.446 3.473 20 0 FGADHM O=C(OCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)[C@H]1CCCS1 ZINC000823417536 606311606 /nfs/dbraw/zinc/31/16/06/606311606.db2.gz CIVHDNNIWXGWNB-QGZVFWFLSA-N -1 3 366.446 3.473 20 0 FGADHM Cc1ccc(N(Cc2cccs2)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)cc1 ZINC000822241255 606321673 /nfs/dbraw/zinc/32/16/73/606321673.db2.gz PPQYCVOCBKHPCM-UHFFFAOYSA-N -1 3 364.434 3.412 20 0 FGADHM Cc1ccc(N(Cc2cccs2)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)cc1 ZINC000822241255 606321675 /nfs/dbraw/zinc/32/16/75/606321675.db2.gz PPQYCVOCBKHPCM-UHFFFAOYSA-N -1 3 364.434 3.412 20 0 FGADHM O=C(CS[C@@H]1CCc2ccc(F)cc21)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000823055802 606334645 /nfs/dbraw/zinc/33/46/45/606334645.db2.gz WMVCLIAWMQNPJG-MRXNPFEDSA-N -1 3 369.425 3.365 20 0 FGADHM O=C(CS[C@@H]1CCc2ccc(F)cc21)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000823055802 606334646 /nfs/dbraw/zinc/33/46/46/606334646.db2.gz WMVCLIAWMQNPJG-MRXNPFEDSA-N -1 3 369.425 3.365 20 0 FGADHM CCC(=O)Nc1cccc(C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000820838469 606339021 /nfs/dbraw/zinc/33/90/21/606339021.db2.gz TUIJCAINZLPYSO-GFCCVEGCSA-N -1 3 365.393 3.133 20 0 FGADHM CCC(=O)Nc1cccc(C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000820838469 606339022 /nfs/dbraw/zinc/33/90/22/606339022.db2.gz TUIJCAINZLPYSO-GFCCVEGCSA-N -1 3 365.393 3.133 20 0 FGADHM CC[C@@H](Oc1ccccc1F)C(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820937852 606346281 /nfs/dbraw/zinc/34/62/81/606346281.db2.gz FAJBTTHPNSGKSX-BLLLJJGKSA-N -1 3 370.384 3.468 20 0 FGADHM CC[C@@H](Oc1ccccc1F)C(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820937852 606346283 /nfs/dbraw/zinc/34/62/83/606346283.db2.gz FAJBTTHPNSGKSX-BLLLJJGKSA-N -1 3 370.384 3.468 20 0 FGADHM COc1ccc(C=CC(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821786298 606350037 /nfs/dbraw/zinc/35/00/37/606350037.db2.gz CSHJMRNHJYTNNT-YQJFHSMKSA-N -1 3 350.378 3.193 20 0 FGADHM COc1ccc(C=CC(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821786298 606350040 /nfs/dbraw/zinc/35/00/40/606350040.db2.gz CSHJMRNHJYTNNT-YQJFHSMKSA-N -1 3 350.378 3.193 20 0 FGADHM Cc1nn(C)c2sc(C(=O)O[C@@H](C)c3ccc(-c4nnn[n-]4)cc3)cc12 ZINC000822496798 606353266 /nfs/dbraw/zinc/35/32/66/606353266.db2.gz UUSSGPSBICHGNR-JTQLQIEISA-N -1 3 368.422 3.041 20 0 FGADHM Cc1nn(C)c2sc(C(=O)O[C@@H](C)c3ccc(-c4nn[n-]n4)cc3)cc12 ZINC000822496798 606353269 /nfs/dbraw/zinc/35/32/69/606353269.db2.gz UUSSGPSBICHGNR-JTQLQIEISA-N -1 3 368.422 3.041 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)N1CC[C@H](c2ccccc2F)C1 ZINC000823343733 606353374 /nfs/dbraw/zinc/35/33/74/606353374.db2.gz FOPBBHSSWREDJM-NSHDSACASA-N -1 3 370.363 3.166 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)N1CC[C@H](c2ccccc2F)C1 ZINC000823343733 606353376 /nfs/dbraw/zinc/35/33/76/606353376.db2.gz FOPBBHSSWREDJM-NSHDSACASA-N -1 3 370.363 3.166 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)N1CC[C@H](c2cccc(F)c2)C1 ZINC000823343992 606355290 /nfs/dbraw/zinc/35/52/90/606355290.db2.gz NHDGMEHPFVSEDM-LBPRGKRZSA-N -1 3 370.363 3.166 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)N1CC[C@H](c2cccc(F)c2)C1 ZINC000823343992 606355291 /nfs/dbraw/zinc/35/52/91/606355291.db2.gz NHDGMEHPFVSEDM-LBPRGKRZSA-N -1 3 370.363 3.166 20 0 FGADHM O=C(Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)c1cscn1 ZINC000823455170 606362284 /nfs/dbraw/zinc/36/22/84/606362284.db2.gz XZGDNICABSSOBN-UHFFFAOYSA-N -1 3 365.374 3.335 20 0 FGADHM COC(=O)[C@H](OC(=O)C[C@H](C)CC(C)(C)C)c1cccc(-c2nnn[n-]2)c1 ZINC000821646567 606371423 /nfs/dbraw/zinc/37/14/23/606371423.db2.gz KILHONVLLPFINW-BLLLJJGKSA-N -1 3 374.441 3.086 20 0 FGADHM COC(=O)[C@H](OC(=O)C[C@H](C)CC(C)(C)C)c1cccc(-c2nn[n-]n2)c1 ZINC000821646567 606371424 /nfs/dbraw/zinc/37/14/24/606371424.db2.gz KILHONVLLPFINW-BLLLJJGKSA-N -1 3 374.441 3.086 20 0 FGADHM C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000820650561 606383859 /nfs/dbraw/zinc/38/38/59/606383859.db2.gz VSDQXXHSEOCXGH-CZUORRHYSA-N -1 3 356.474 3.223 20 0 FGADHM C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000820650561 606383861 /nfs/dbraw/zinc/38/38/61/606383861.db2.gz VSDQXXHSEOCXGH-CZUORRHYSA-N -1 3 356.474 3.223 20 0 FGADHM C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000820650559 606384016 /nfs/dbraw/zinc/38/40/16/606384016.db2.gz VSDQXXHSEOCXGH-CJNGLKHVSA-N -1 3 356.474 3.223 20 0 FGADHM C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000820650559 606384018 /nfs/dbraw/zinc/38/40/18/606384018.db2.gz VSDQXXHSEOCXGH-CJNGLKHVSA-N -1 3 356.474 3.223 20 0 FGADHM CCS[C@@H]1CCC[C@H](NC(=S)Nc2ccccc2-c2nnn[n-]2)C1 ZINC000821456390 606392257 /nfs/dbraw/zinc/39/22/57/606392257.db2.gz PJJIOXHSIJVSOW-NWDGAFQWSA-N -1 3 362.528 3.217 20 0 FGADHM CCS[C@@H]1CCC[C@H](NC(=S)Nc2ccccc2-c2nn[n-]n2)C1 ZINC000821456390 606392259 /nfs/dbraw/zinc/39/22/59/606392259.db2.gz PJJIOXHSIJVSOW-NWDGAFQWSA-N -1 3 362.528 3.217 20 0 FGADHM Cc1ccc([C@@H]2CCC[C@@H]2OC(=O)c2cc(-c3nnn[n-]3)cn2C)cc1 ZINC000822233734 606409083 /nfs/dbraw/zinc/40/90/83/606409083.db2.gz UEEUBHLVZBLKMV-RDJZCZTQSA-N -1 3 351.410 3.007 20 0 FGADHM Cc1ccc([C@@H]2CCC[C@@H]2OC(=O)c2cc(-c3nn[n-]n3)cn2C)cc1 ZINC000822233734 606409084 /nfs/dbraw/zinc/40/90/84/606409084.db2.gz UEEUBHLVZBLKMV-RDJZCZTQSA-N -1 3 351.410 3.007 20 0 FGADHM Fc1cccc(N2CC[C@H](OCCCc3ccccc3)C2)c1-c1nnn[n-]1 ZINC000822791654 606429215 /nfs/dbraw/zinc/42/92/15/606429215.db2.gz KKDLWDMJSYPQJD-INIZCTEOSA-N -1 3 367.428 3.234 20 0 FGADHM Fc1cccc(N2CC[C@H](OCCCc3ccccc3)C2)c1-c1nn[n-]n1 ZINC000822791654 606429217 /nfs/dbraw/zinc/42/92/17/606429217.db2.gz KKDLWDMJSYPQJD-INIZCTEOSA-N -1 3 367.428 3.234 20 0 FGADHM CCCCc1nc(-c2cccc(Oc3ncccc3-c3nnn[n-]3)c2)no1 ZINC000821077792 606430252 /nfs/dbraw/zinc/43/02/52/606430252.db2.gz TZVPNSKTKPSOPA-UHFFFAOYSA-N -1 3 363.381 3.447 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NCc1csc([C@H](C)OC)n1 ZINC000821412018 606430488 /nfs/dbraw/zinc/43/04/88/606430488.db2.gz FLQHLOMBMWKRFZ-JTQLQIEISA-N -1 3 360.443 3.041 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NCc1csc([C@H](C)OC)n1 ZINC000821412018 606430490 /nfs/dbraw/zinc/43/04/90/606430490.db2.gz FLQHLOMBMWKRFZ-JTQLQIEISA-N -1 3 360.443 3.041 20 0 FGADHM O=C(OCC[C@H]1CCCO1)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000823401401 606437773 /nfs/dbraw/zinc/43/77/73/606437773.db2.gz VGTYVVFMWQWVPI-CQSZACIVSA-N -1 3 364.405 3.260 20 0 FGADHM O=C(OCC[C@H]1CCCO1)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000823401401 606437776 /nfs/dbraw/zinc/43/77/76/606437776.db2.gz VGTYVVFMWQWVPI-CQSZACIVSA-N -1 3 364.405 3.260 20 0 FGADHM Cc1cc([C@@H](C)NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)ccc1F ZINC000822191457 606450389 /nfs/dbraw/zinc/45/03/89/606450389.db2.gz JMAPMDDHMQBESV-GFCCVEGCSA-N -1 3 371.441 3.284 20 0 FGADHM Cc1cc([C@@H](C)NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)ccc1F ZINC000822191457 606450391 /nfs/dbraw/zinc/45/03/91/606450391.db2.gz JMAPMDDHMQBESV-GFCCVEGCSA-N -1 3 371.441 3.284 20 0 FGADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1)c1ccc2ccc(Cl)cc2n1 ZINC000823449997 606462007 /nfs/dbraw/zinc/46/20/07/606462007.db2.gz HIRIGBCJFIAZFZ-UHFFFAOYSA-N -1 3 351.753 3.288 20 0 FGADHM O=C(OCc1cc2ccccc2nc1Cl)c1cc(-c2nnn[n-]2)cs1 ZINC000823417868 606467716 /nfs/dbraw/zinc/46/77/16/606467716.db2.gz KRYHHUAFZOZANL-UHFFFAOYSA-N -1 3 371.809 3.487 20 0 FGADHM O=C(OCc1cc2ccccc2nc1Cl)c1cc(-c2nn[n-]n2)cs1 ZINC000823417868 606467717 /nfs/dbraw/zinc/46/77/17/606467717.db2.gz KRYHHUAFZOZANL-UHFFFAOYSA-N -1 3 371.809 3.487 20 0 FGADHM O=C(Oc1ccc(Br)c(F)c1)c1cc(-c2nnn[n-]2)cs1 ZINC000823449736 606468234 /nfs/dbraw/zinc/46/82/34/606468234.db2.gz AXTOXLGAYVAHDG-UHFFFAOYSA-N -1 3 369.175 3.049 20 0 FGADHM O=C(Oc1ccc(Br)c(F)c1)c1cc(-c2nn[n-]n2)cs1 ZINC000823449736 606468235 /nfs/dbraw/zinc/46/82/35/606468235.db2.gz AXTOXLGAYVAHDG-UHFFFAOYSA-N -1 3 369.175 3.049 20 0 FGADHM Cc1cc2sc(NC(=O)c3cc(-c4nnn[n-]4)cs3)nc2c(C)c1 ZINC000822195298 606476928 /nfs/dbraw/zinc/47/69/28/606476928.db2.gz NWRFRWQDISQQGD-UHFFFAOYSA-N -1 3 356.436 3.407 20 0 FGADHM Cc1cc2sc(NC(=O)c3cc(-c4nn[n-]n4)cs3)nc2c(C)c1 ZINC000822195298 606476929 /nfs/dbraw/zinc/47/69/29/606476929.db2.gz NWRFRWQDISQQGD-UHFFFAOYSA-N -1 3 356.436 3.407 20 0 FGADHM O=C(c1cc(-c2nnn[n-]2)cs1)N(Cc1ccc(Cl)cc1)C1CC1 ZINC000823466416 606491407 /nfs/dbraw/zinc/49/14/07/606491407.db2.gz MDUKWFIALCJSHR-UHFFFAOYSA-N -1 3 359.842 3.386 20 0 FGADHM O=C(c1cc(-c2nn[n-]n2)cs1)N(Cc1ccc(Cl)cc1)C1CC1 ZINC000823466416 606491408 /nfs/dbraw/zinc/49/14/08/606491408.db2.gz MDUKWFIALCJSHR-UHFFFAOYSA-N -1 3 359.842 3.386 20 0 FGADHM FC(F)Oc1cc(-c2nn[n-]n2)ccc1CN1CCC[C@H]1c1ccco1 ZINC000822732893 606492603 /nfs/dbraw/zinc/49/26/03/606492603.db2.gz NVKZYKADYMPILR-ZDUSSCGKSA-N -1 3 361.352 3.398 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1nc2cc(Cl)ccc2s1 ZINC000823108043 606502320 /nfs/dbraw/zinc/50/23/20/606502320.db2.gz ITPOJLXWTLMWKV-UHFFFAOYSA-N -1 3 370.825 3.311 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1nc2cc(Cl)ccc2s1 ZINC000823108043 606502321 /nfs/dbraw/zinc/50/23/21/606502321.db2.gz ITPOJLXWTLMWKV-UHFFFAOYSA-N -1 3 370.825 3.311 20 0 FGADHM COc1c(Cl)cc(NC(=O)c2cc(-c3nnn[n-]3)cs2)cc1Cl ZINC000821698319 606502601 /nfs/dbraw/zinc/50/26/01/606502601.db2.gz FGWGIEPKXBHCPD-UHFFFAOYSA-N -1 3 370.221 3.496 20 0 FGADHM COc1c(Cl)cc(NC(=O)c2cc(-c3nn[n-]n3)cs2)cc1Cl ZINC000821698319 606502602 /nfs/dbraw/zinc/50/26/02/606502602.db2.gz FGWGIEPKXBHCPD-UHFFFAOYSA-N -1 3 370.221 3.496 20 0 FGADHM FC(F)(F)CN(Cc1cccs1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000822718160 606506597 /nfs/dbraw/zinc/50/65/97/606506597.db2.gz AOVODTKAQYRRNC-UHFFFAOYSA-N -1 3 353.373 3.493 20 0 FGADHM FC(F)(F)CN(Cc1cccs1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000822718160 606506599 /nfs/dbraw/zinc/50/65/99/606506599.db2.gz AOVODTKAQYRRNC-UHFFFAOYSA-N -1 3 353.373 3.493 20 0 FGADHM CC(C)(Cc1ccccc1Cl)NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000819987736 606506780 /nfs/dbraw/zinc/50/67/80/606506780.db2.gz JEOWCBPCJAFOTL-UHFFFAOYSA-N -1 3 361.858 3.333 20 0 FGADHM CC(C)(Cc1ccccc1Cl)NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000819987736 606506783 /nfs/dbraw/zinc/50/67/83/606506783.db2.gz JEOWCBPCJAFOTL-UHFFFAOYSA-N -1 3 361.858 3.333 20 0 FGADHM C[C@H](NC(=O)c1cc(-c2nnn[n-]2)cs1)c1nc2ccccc2s1 ZINC000820391889 606511724 /nfs/dbraw/zinc/51/17/24/606511724.db2.gz RTORPPCSQUPHPE-QMMMGPOBSA-N -1 3 356.436 3.029 20 0 FGADHM C[C@H](NC(=O)c1cc(-c2nn[n-]n2)cs1)c1nc2ccccc2s1 ZINC000820391889 606511725 /nfs/dbraw/zinc/51/17/25/606511725.db2.gz RTORPPCSQUPHPE-QMMMGPOBSA-N -1 3 356.436 3.029 20 0 FGADHM CC(C)n1ncc2cc(NC(=O)c3cc(-c4nnn[n-]4)cs3)ccc21 ZINC000820214539 606513855 /nfs/dbraw/zinc/51/38/55/606513855.db2.gz HSHJNMAUDVVSEJ-UHFFFAOYSA-N -1 3 353.411 3.111 20 0 FGADHM CC(C)n1ncc2cc(NC(=O)c3cc(-c4nn[n-]n4)cs3)ccc21 ZINC000820214539 606513857 /nfs/dbraw/zinc/51/38/57/606513857.db2.gz HSHJNMAUDVVSEJ-UHFFFAOYSA-N -1 3 353.411 3.111 20 0 FGADHM CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000820938467 606539684 /nfs/dbraw/zinc/53/96/84/606539684.db2.gz JKFQHTMQEFYOPM-QGZVFWFLSA-N -1 3 351.410 3.280 20 0 FGADHM CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000820938467 606539685 /nfs/dbraw/zinc/53/96/85/606539685.db2.gz JKFQHTMQEFYOPM-QGZVFWFLSA-N -1 3 351.410 3.280 20 0 FGADHM O=C(Nc1cc(CCc2ccccc2)ccn1)c1cccc(-c2nnn[n-]2)c1 ZINC000823299327 606545525 /nfs/dbraw/zinc/54/55/25/606545525.db2.gz RYTUXLQFTLGBLW-UHFFFAOYSA-N -1 3 370.416 3.299 20 0 FGADHM O=C(Nc1cc(CCc2ccccc2)ccn1)c1cccc(-c2nn[n-]n2)c1 ZINC000823299327 606545527 /nfs/dbraw/zinc/54/55/27/606545527.db2.gz RYTUXLQFTLGBLW-UHFFFAOYSA-N -1 3 370.416 3.299 20 0 FGADHM O=C(c1cc(-c2nnn[n-]2)cs1)N1CCC(c2ccc(F)cc2)CC1 ZINC000823472773 606548255 /nfs/dbraw/zinc/54/82/55/606548255.db2.gz YESYPBBSJNBVDS-UHFFFAOYSA-N -1 3 357.414 3.087 20 0 FGADHM O=C(c1cc(-c2nn[n-]n2)cs1)N1CCC(c2ccc(F)cc2)CC1 ZINC000823472773 606548257 /nfs/dbraw/zinc/54/82/57/606548257.db2.gz YESYPBBSJNBVDS-UHFFFAOYSA-N -1 3 357.414 3.087 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1cc(C2CCCCCC2)[nH]n1 ZINC000823104646 606567677 /nfs/dbraw/zinc/56/76/77/606567677.db2.gz ZZNJDJZWXIUXPK-UHFFFAOYSA-N -1 3 365.441 3.209 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1cc(C2CCCCCC2)[nH]n1 ZINC000823104646 606567678 /nfs/dbraw/zinc/56/76/78/606567678.db2.gz ZZNJDJZWXIUXPK-UHFFFAOYSA-N -1 3 365.441 3.209 20 0 FGADHM C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)cs1)c1ncc(-c2ccccc2)o1 ZINC000820390242 606571423 /nfs/dbraw/zinc/57/14/23/606571423.db2.gz GMJSXADLLXCOJQ-SNVBAGLBSA-N -1 3 366.406 3.074 20 0 FGADHM C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)cs1)c1ncc(-c2ccccc2)o1 ZINC000820390242 606571425 /nfs/dbraw/zinc/57/14/25/606571425.db2.gz GMJSXADLLXCOJQ-SNVBAGLBSA-N -1 3 366.406 3.074 20 0 FGADHM Cc1cc([C@H](C)NC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)ccc1F ZINC000822191715 606580029 /nfs/dbraw/zinc/58/00/29/606580029.db2.gz PAMJBTMWAXKCQT-JTQLQIEISA-N -1 3 358.352 3.336 20 0 FGADHM Cc1cc([C@H](C)NC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)ccc1F ZINC000822191715 606580031 /nfs/dbraw/zinc/58/00/31/606580031.db2.gz PAMJBTMWAXKCQT-JTQLQIEISA-N -1 3 358.352 3.336 20 0 FGADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(N2CCS[C@H]3CCCC[C@H]32)n1 ZINC000822723302 606594392 /nfs/dbraw/zinc/59/43/92/606594392.db2.gz CXQHHPFMFJSUKL-MNOVXSKESA-N -1 3 370.404 3.145 20 0 FGADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(N2CCS[C@H]3CCCC[C@H]32)n1 ZINC000822723302 606594394 /nfs/dbraw/zinc/59/43/94/606594394.db2.gz CXQHHPFMFJSUKL-MNOVXSKESA-N -1 3 370.404 3.145 20 0 FGADHM COc1ccc(C)cc1NCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000821782712 606596438 /nfs/dbraw/zinc/59/64/38/606596438.db2.gz LJXBIHDVUGMCRG-UHFFFAOYSA-N -1 3 361.352 3.397 20 0 FGADHM COc1ccc(C)cc1NCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000821782712 606596439 /nfs/dbraw/zinc/59/64/39/606596439.db2.gz LJXBIHDVUGMCRG-UHFFFAOYSA-N -1 3 361.352 3.397 20 0 FGADHM CCCCCC(C)(C)C(=O)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000821042416 606602349 /nfs/dbraw/zinc/60/23/49/606602349.db2.gz AOWAIXFZQNMDMP-UHFFFAOYSA-N -1 3 370.501 3.122 20 0 FGADHM CCCCCC(C)(C)C(=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000821042416 606602351 /nfs/dbraw/zinc/60/23/51/606602351.db2.gz AOWAIXFZQNMDMP-UHFFFAOYSA-N -1 3 370.501 3.122 20 0 FGADHM Cc1cc(CCCC(=O)NCc2cccc(-c3nnn[n-]3)c2)c(C)s1 ZINC000822199889 606602794 /nfs/dbraw/zinc/60/27/94/606602794.db2.gz LLXNCPSFKTULLH-UHFFFAOYSA-N -1 3 355.467 3.184 20 0 FGADHM Cc1cc(CCCC(=O)NCc2cccc(-c3nn[n-]n3)c2)c(C)s1 ZINC000822199889 606602795 /nfs/dbraw/zinc/60/27/95/606602795.db2.gz LLXNCPSFKTULLH-UHFFFAOYSA-N -1 3 355.467 3.184 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)CCCc1cc(C)sc1C ZINC000821699553 606602824 /nfs/dbraw/zinc/60/28/24/606602824.db2.gz UOOABYXXGHCMKO-UHFFFAOYSA-N -1 3 372.450 3.482 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)CCCc1cc(C)sc1C ZINC000821699553 606602825 /nfs/dbraw/zinc/60/28/25/606602825.db2.gz UOOABYXXGHCMKO-UHFFFAOYSA-N -1 3 372.450 3.482 20 0 FGADHM O=C(N[C@H](C1CCCCC1)C(F)(F)F)c1cc(-c2nnn[n-]2)cs1 ZINC000823139274 606605448 /nfs/dbraw/zinc/60/54/48/606605448.db2.gz BKRFQQIHRDUXDT-LLVKDONJSA-N -1 3 359.377 3.169 20 0 FGADHM O=C(N[C@H](C1CCCCC1)C(F)(F)F)c1cc(-c2nn[n-]n2)cs1 ZINC000823139274 606605449 /nfs/dbraw/zinc/60/54/49/606605449.db2.gz BKRFQQIHRDUXDT-LLVKDONJSA-N -1 3 359.377 3.169 20 0 FGADHM O=C(Nc1cnccc1-c1cccc(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823375795 606607306 /nfs/dbraw/zinc/60/73/06/606607306.db2.gz KLEDQYJTZTZLRA-UHFFFAOYSA-N -1 3 360.352 3.320 20 0 FGADHM O=C(Nc1cnccc1-c1cccc(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823375795 606607308 /nfs/dbraw/zinc/60/73/08/606607308.db2.gz KLEDQYJTZTZLRA-UHFFFAOYSA-N -1 3 360.352 3.320 20 0 FGADHM CCCCCC(C)(C)C(=O)OCC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000821042995 606615309 /nfs/dbraw/zinc/61/53/09/606615309.db2.gz KEXQJKATUXUCEI-UHFFFAOYSA-N -1 3 365.459 3.016 20 0 FGADHM CCCCCC(C)(C)C(=O)OCC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000821042995 606615311 /nfs/dbraw/zinc/61/53/11/606615311.db2.gz KEXQJKATUXUCEI-UHFFFAOYSA-N -1 3 365.459 3.016 20 0 FGADHM CC1CC(C(=O)Nc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)C1 ZINC000820650211 606618399 /nfs/dbraw/zinc/61/83/99/606618399.db2.gz RTCPSCKZVNAUCX-UHFFFAOYSA-N -1 3 363.421 3.430 20 0 FGADHM CC1CC(C(=O)Nc2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)C1 ZINC000820650211 606618400 /nfs/dbraw/zinc/61/84/00/606618400.db2.gz RTCPSCKZVNAUCX-UHFFFAOYSA-N -1 3 363.421 3.430 20 0 FGADHM S=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N[C@H]1CCCc2[nH]ccc21 ZINC000823731971 606627332 /nfs/dbraw/zinc/62/73/32/606627332.db2.gz HTOPXSDFKGGZJV-AWEZNQCLSA-N -1 3 373.873 3.212 20 0 FGADHM S=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N[C@H]1CCCc2[nH]ccc21 ZINC000823731971 606627334 /nfs/dbraw/zinc/62/73/34/606627334.db2.gz HTOPXSDFKGGZJV-AWEZNQCLSA-N -1 3 373.873 3.212 20 0 FGADHM CC[C@H](C)Oc1ccc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000820875460 606631770 /nfs/dbraw/zinc/63/17/70/606631770.db2.gz AMOFZTTYCHRMHP-LBPRGKRZSA-N -1 3 369.400 3.113 20 0 FGADHM CC[C@H](C)Oc1ccc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000820875460 606631772 /nfs/dbraw/zinc/63/17/72/606631772.db2.gz AMOFZTTYCHRMHP-LBPRGKRZSA-N -1 3 369.400 3.113 20 0 FGADHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1NC[C@H]1CSCCS1 ZINC000822718479 606637633 /nfs/dbraw/zinc/63/76/33/606637633.db2.gz JONLZNFFSTWZCP-VIFPVBQESA-N -1 3 361.418 3.146 20 0 FGADHM Cc1cccc(Cl)c1N[C@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000822303488 606638936 /nfs/dbraw/zinc/63/89/36/606638936.db2.gz CJHQUPZEJMOPTC-HNNXBMFYSA-N -1 3 368.828 3.046 20 0 FGADHM Cc1cccc(Cl)c1N[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000822303488 606638937 /nfs/dbraw/zinc/63/89/37/606638937.db2.gz CJHQUPZEJMOPTC-HNNXBMFYSA-N -1 3 368.828 3.046 20 0 FGADHM O[C@@H]1CCCC[C@H]1Oc1ccc(NCc2cc(-c3nnn[n-]3)cs2)cc1 ZINC000823704442 606657687 /nfs/dbraw/zinc/65/76/87/606657687.db2.gz AQQYBLFLWWZICR-IAGOWNOFSA-N -1 3 371.466 3.223 20 0 FGADHM O[C@@H]1CCCC[C@H]1Oc1ccc(NCc2cc(-c3nn[n-]n3)cs2)cc1 ZINC000823704442 606657688 /nfs/dbraw/zinc/65/76/88/606657688.db2.gz AQQYBLFLWWZICR-IAGOWNOFSA-N -1 3 371.466 3.223 20 0 FGADHM C[C@H](c1ccco1)N(C(=O)NCc1cc(-c2nnn[n-]2)ccc1F)C1CC1 ZINC000820571025 606658057 /nfs/dbraw/zinc/65/80/57/606658057.db2.gz UTHREOBUWGWVQL-LLVKDONJSA-N -1 3 370.388 3.034 20 0 FGADHM C[C@H](c1ccco1)N(C(=O)NCc1cc(-c2nn[n-]n2)ccc1F)C1CC1 ZINC000820571025 606658058 /nfs/dbraw/zinc/65/80/58/606658058.db2.gz UTHREOBUWGWVQL-LLVKDONJSA-N -1 3 370.388 3.034 20 0 FGADHM CSc1ccccc1NCC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000821990961 606658608 /nfs/dbraw/zinc/65/86/08/606658608.db2.gz ZRKBNXYXXWXFKQ-UHFFFAOYSA-N -1 3 374.857 3.293 20 0 FGADHM CSc1ccccc1NCC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000821990961 606658609 /nfs/dbraw/zinc/65/86/09/606658609.db2.gz ZRKBNXYXXWXFKQ-UHFFFAOYSA-N -1 3 374.857 3.293 20 0 FGADHM C[C@H]1CCC[C@H](C)C1NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000820689728 606659004 /nfs/dbraw/zinc/65/90/04/606659004.db2.gz CGPMHCHWWIVZAD-KBPBESRZSA-N -1 3 368.485 3.365 20 0 FGADHM C[C@H]1CCC[C@H](C)C1NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000820689728 606659005 /nfs/dbraw/zinc/65/90/05/606659005.db2.gz CGPMHCHWWIVZAD-KBPBESRZSA-N -1 3 368.485 3.365 20 0 FGADHM O=C(c1cccc(-c2nnn[n-]2)c1)N1CCCCC[C@@H]1[C@@H]1CCCCC1=O ZINC000823525909 606659477 /nfs/dbraw/zinc/65/94/77/606659477.db2.gz VRCDGUCYXHLWJT-DLBZAZTESA-N -1 3 367.453 3.011 20 0 FGADHM O=C(c1cccc(-c2nn[n-]n2)c1)N1CCCCC[C@@H]1[C@@H]1CCCCC1=O ZINC000823525909 606659478 /nfs/dbraw/zinc/65/94/78/606659478.db2.gz VRCDGUCYXHLWJT-DLBZAZTESA-N -1 3 367.453 3.011 20 0 FGADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1csc(C=O)c1 ZINC000820087697 606659738 /nfs/dbraw/zinc/65/97/38/606659738.db2.gz XEKROSRUCSXXRK-UHFFFAOYSA-N -1 3 369.450 3.039 20 0 FGADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1csc(C=O)c1 ZINC000820087697 606659739 /nfs/dbraw/zinc/65/97/39/606659739.db2.gz XEKROSRUCSXXRK-UHFFFAOYSA-N -1 3 369.450 3.039 20 0 FGADHM Cc1cccc(C)c1NCC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000822293785 606661570 /nfs/dbraw/zinc/66/15/70/606661570.db2.gz LKWNOPBRBHDMRL-UHFFFAOYSA-N -1 3 356.817 3.188 20 0 FGADHM Cc1cccc(C)c1NCC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000822293785 606661571 /nfs/dbraw/zinc/66/15/71/606661571.db2.gz LKWNOPBRBHDMRL-UHFFFAOYSA-N -1 3 356.817 3.188 20 0 FGADHM CC(C)C[C@@H](C)OCCC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000820057290 606670215 /nfs/dbraw/zinc/67/02/15/606670215.db2.gz XLRPORGBOIJRIO-MRXNPFEDSA-N -1 3 373.501 3.445 20 0 FGADHM CC(C)C[C@@H](C)OCCC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000820057290 606670216 /nfs/dbraw/zinc/67/02/16/606670216.db2.gz XLRPORGBOIJRIO-MRXNPFEDSA-N -1 3 373.501 3.445 20 0 FGADHM CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820685743 606671662 /nfs/dbraw/zinc/67/16/62/606671662.db2.gz VBRPNJWNRKLWLG-GMXABZIVSA-N -1 3 363.412 3.336 20 0 FGADHM CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820685743 606671663 /nfs/dbraw/zinc/67/16/63/606671663.db2.gz VBRPNJWNRKLWLG-GMXABZIVSA-N -1 3 363.412 3.336 20 0 FGADHM CCCOc1ccc(NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c(C)c1 ZINC000821134563 606674374 /nfs/dbraw/zinc/67/43/74/606674374.db2.gz YRNHBHMWBMVOAF-UHFFFAOYSA-N -1 3 373.363 3.494 20 0 FGADHM CCCOc1ccc(NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c(C)c1 ZINC000821134563 606674375 /nfs/dbraw/zinc/67/43/75/606674375.db2.gz YRNHBHMWBMVOAF-UHFFFAOYSA-N -1 3 373.363 3.494 20 0 FGADHM Cc1ccccc1[C@H](NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)C1CC1 ZINC000822351586 606679428 /nfs/dbraw/zinc/67/94/28/606679428.db2.gz OUTDXBXFPACAKM-QGZVFWFLSA-N -1 3 369.375 3.334 20 0 FGADHM Cc1ccccc1[C@H](NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)C1CC1 ZINC000822351586 606679429 /nfs/dbraw/zinc/67/94/29/606679429.db2.gz OUTDXBXFPACAKM-QGZVFWFLSA-N -1 3 369.375 3.334 20 0 FGADHM Cc1ccc([C@H](C)NC(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)cc1F ZINC000822229008 606680260 /nfs/dbraw/zinc/68/02/60/606680260.db2.gz KLGIKTVAKNAZIC-ZDUSSCGKSA-N -1 3 368.416 3.217 20 0 FGADHM Cc1ccc([C@H](C)NC(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000822229008 606680261 /nfs/dbraw/zinc/68/02/61/606680261.db2.gz KLGIKTVAKNAZIC-ZDUSSCGKSA-N -1 3 368.416 3.217 20 0 FGADHM C[C@@H](OC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1)c1cc(F)cc(F)c1 ZINC000820530204 606686545 /nfs/dbraw/zinc/68/65/45/606686545.db2.gz XVSAULSOSLVVBP-MNOVXSKESA-N -1 3 374.347 3.217 20 0 FGADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N[C@H](c1ccccc1F)C1CCCC1 ZINC000822631658 606693623 /nfs/dbraw/zinc/69/36/23/606693623.db2.gz DETQFZQHWRGWHG-KRWDZBQOSA-N -1 3 368.416 3.006 20 0 FGADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N[C@H](c1ccccc1F)C1CCCC1 ZINC000822631658 606693624 /nfs/dbraw/zinc/69/36/24/606693624.db2.gz DETQFZQHWRGWHG-KRWDZBQOSA-N -1 3 368.416 3.006 20 0 FGADHM Cc1cccc(NCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)c1Cl ZINC000822327224 606705191 /nfs/dbraw/zinc/70/51/91/606705191.db2.gz DIACMQUFVGZEJW-UHFFFAOYSA-N -1 3 367.800 3.491 20 0 FGADHM Cc1cccc(NCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)c1Cl ZINC000822327224 606705193 /nfs/dbraw/zinc/70/51/93/606705193.db2.gz DIACMQUFVGZEJW-UHFFFAOYSA-N -1 3 367.800 3.491 20 0 FGADHM COc1c(F)cc(F)cc1NCCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000821698810 606709752 /nfs/dbraw/zinc/70/97/52/606709752.db2.gz ZOJSSMCUZJWCOW-UHFFFAOYSA-N -1 3 361.352 3.035 20 0 FGADHM Cc1nc(CNc2ncccc2-c2nnn[n-]2)oc1-c1ccc(Cl)cc1 ZINC000822444359 606721765 /nfs/dbraw/zinc/72/17/65/606721765.db2.gz NIEKVQJVUXKYHT-UHFFFAOYSA-N -1 3 367.800 3.491 20 0 FGADHM Cc1nc(CNc2ncccc2-c2nn[n-]n2)oc1-c1ccc(Cl)cc1 ZINC000822444359 606721766 /nfs/dbraw/zinc/72/17/66/606721766.db2.gz NIEKVQJVUXKYHT-UHFFFAOYSA-N -1 3 367.800 3.491 20 0 FGADHM Brc1ccccc1[C@H]1CCCN1c1ncccc1-c1nnn[n-]1 ZINC000819688596 606726918 /nfs/dbraw/zinc/72/69/18/606726918.db2.gz KCPUFPMHFWMYLY-CQSZACIVSA-N -1 3 371.242 3.366 20 0 FGADHM Brc1ccccc1[C@H]1CCCN1c1ncccc1-c1nn[n-]n1 ZINC000819688596 606726919 /nfs/dbraw/zinc/72/69/19/606726919.db2.gz KCPUFPMHFWMYLY-CQSZACIVSA-N -1 3 371.242 3.366 20 0 FGADHM Cc1cccc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)c1F ZINC000822284782 606728046 /nfs/dbraw/zinc/72/80/46/606728046.db2.gz ZXAQCDALBGXTNA-UHFFFAOYSA-N -1 3 363.299 3.168 20 0 FGADHM Cc1cccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)c1F ZINC000822284782 606728047 /nfs/dbraw/zinc/72/80/47/606728047.db2.gz ZXAQCDALBGXTNA-UHFFFAOYSA-N -1 3 363.299 3.168 20 0 FGADHM C[C@@H](OC1CCCCCC1)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820519377 606733909 /nfs/dbraw/zinc/73/39/09/606733909.db2.gz SXGVNLAZGMLUPU-ZIAGYGMSSA-N -1 3 357.458 3.172 20 0 FGADHM C[C@@H](OC1CCCCCC1)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820519377 606733910 /nfs/dbraw/zinc/73/39/10/606733910.db2.gz SXGVNLAZGMLUPU-ZIAGYGMSSA-N -1 3 357.458 3.172 20 0 FGADHM O=C(CCCc1ccc(F)c(F)c1)OCc1ccccc1-c1nnn[n-]1 ZINC000822958781 606748189 /nfs/dbraw/zinc/74/81/89/606748189.db2.gz HIPLLOGCNONIAG-UHFFFAOYSA-N -1 3 358.348 3.211 20 0 FGADHM O=C(CCCc1ccc(F)c(F)c1)OCc1ccccc1-c1nn[n-]n1 ZINC000822958781 606748191 /nfs/dbraw/zinc/74/81/91/606748191.db2.gz HIPLLOGCNONIAG-UHFFFAOYSA-N -1 3 358.348 3.211 20 0 FGADHM Cc1ccccc1CCCOC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000822355891 606751274 /nfs/dbraw/zinc/75/12/74/606751274.db2.gz AFAUUAZFGYCTBY-UHFFFAOYSA-N -1 3 358.348 3.243 20 0 FGADHM Cc1ccccc1CCCOC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000822355891 606751276 /nfs/dbraw/zinc/75/12/76/606751276.db2.gz AFAUUAZFGYCTBY-UHFFFAOYSA-N -1 3 358.348 3.243 20 0 FGADHM C[C@@H](CCc1ccccc1)OC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820254908 606757990 /nfs/dbraw/zinc/75/79/90/606757990.db2.gz ZNZSVRXBFBCKAF-NSHDSACASA-N -1 3 358.348 3.323 20 0 FGADHM C[C@@H](CCc1ccccc1)OC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820254908 606757991 /nfs/dbraw/zinc/75/79/91/606757991.db2.gz ZNZSVRXBFBCKAF-NSHDSACASA-N -1 3 358.348 3.323 20 0 FGADHM C[C@H](OC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1ccc(F)c(F)c1 ZINC000820502742 606758147 /nfs/dbraw/zinc/75/81/47/606758147.db2.gz VGMHXHOPFXKFRZ-ZETCQYMHSA-N -1 3 366.274 3.341 20 0 FGADHM C[C@H](OC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccc(F)c(F)c1 ZINC000820502742 606758149 /nfs/dbraw/zinc/75/81/49/606758149.db2.gz VGMHXHOPFXKFRZ-ZETCQYMHSA-N -1 3 366.274 3.341 20 0 FGADHM CC(C)CC1(CNC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)CCC1 ZINC000820061481 606793289 /nfs/dbraw/zinc/79/32/89/606793289.db2.gz CQAXWAROSVYZSQ-AWEZNQCLSA-N -1 3 356.474 3.443 20 0 FGADHM CC(C)CC1(CNC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)CCC1 ZINC000820061481 606793290 /nfs/dbraw/zinc/79/32/90/606793290.db2.gz CQAXWAROSVYZSQ-AWEZNQCLSA-N -1 3 356.474 3.443 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)NCCC2CC2)cc1 ZINC000822146296 606796533 /nfs/dbraw/zinc/79/65/33/606796533.db2.gz XJUVOHPZROQNQZ-UHFFFAOYSA-N -1 3 363.421 3.497 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)NCCC2CC2)cc1 ZINC000822146296 606796535 /nfs/dbraw/zinc/79/65/35/606796535.db2.gz XJUVOHPZROQNQZ-UHFFFAOYSA-N -1 3 363.421 3.497 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)NCC2(C)CC2)cc1 ZINC000822143382 606798206 /nfs/dbraw/zinc/79/82/06/606798206.db2.gz CCFMTIOPDPOPCI-UHFFFAOYSA-N -1 3 363.421 3.497 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)NCC2(C)CC2)cc1 ZINC000822143382 606798208 /nfs/dbraw/zinc/79/82/08/606798208.db2.gz CCFMTIOPDPOPCI-UHFFFAOYSA-N -1 3 363.421 3.497 20 0 FGADHM Cc1ccc(OC(F)F)c(CNc2nc3c(cc2-c2nnn[n-]2)CCC3)c1 ZINC000822263477 606800094 /nfs/dbraw/zinc/80/00/94/606800094.db2.gz PXAVILQAYXZGTL-UHFFFAOYSA-N -1 3 372.379 3.272 20 0 FGADHM Cc1ccc(OC(F)F)c(CNc2nc3c(cc2-c2nn[n-]n2)CCC3)c1 ZINC000822263477 606800097 /nfs/dbraw/zinc/80/00/97/606800097.db2.gz PXAVILQAYXZGTL-UHFFFAOYSA-N -1 3 372.379 3.272 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)Cc1ccc(C)cc1Cl ZINC000821407765 606800169 /nfs/dbraw/zinc/80/01/69/606800169.db2.gz WSCHWIOGCUDASA-UHFFFAOYSA-N -1 3 371.828 3.408 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)Cc1ccc(C)cc1Cl ZINC000821407765 606800171 /nfs/dbraw/zinc/80/01/71/606800171.db2.gz WSCHWIOGCUDASA-UHFFFAOYSA-N -1 3 371.828 3.408 20 0 FGADHM O=C(OC[C@H]1CCSC1)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000823401574 606801862 /nfs/dbraw/zinc/80/18/62/606801862.db2.gz XCRFTIBJEJWPQK-CYBMUJFWSA-N -1 3 366.446 3.444 20 0 FGADHM O=C(OC[C@H]1CCSC1)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000823401574 606801864 /nfs/dbraw/zinc/80/18/64/606801864.db2.gz XCRFTIBJEJWPQK-CYBMUJFWSA-N -1 3 366.446 3.444 20 0 FGADHM C[C@@H](Sc1ccc(-c2nnn[n-]2)cc1Cl)C(=O)N1CCC(C)CC1 ZINC000820717827 606851761 /nfs/dbraw/zinc/85/17/61/606851761.db2.gz XLUKCLYUFZBZHX-LLVKDONJSA-N -1 3 365.890 3.259 20 0 FGADHM C[C@@H](Sc1ccc(-c2nn[n-]n2)cc1Cl)C(=O)N1CCC(C)CC1 ZINC000820717827 606851762 /nfs/dbraw/zinc/85/17/62/606851762.db2.gz XLUKCLYUFZBZHX-LLVKDONJSA-N -1 3 365.890 3.259 20 0 FGADHM CO[C@@H](C)c1cccc(NCCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000821674201 606864000 /nfs/dbraw/zinc/86/40/00/606864000.db2.gz WUAXZKYXSLMNNN-AWEZNQCLSA-N -1 3 353.426 3.455 20 0 FGADHM CO[C@@H](C)c1cccc(NCCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC000821674201 606864001 /nfs/dbraw/zinc/86/40/01/606864001.db2.gz WUAXZKYXSLMNNN-AWEZNQCLSA-N -1 3 353.426 3.455 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccc(F)c(OC)c1 ZINC000821104539 606866663 /nfs/dbraw/zinc/86/66/63/606866663.db2.gz HSDQPIKBXSSETG-UHFFFAOYSA-N -1 3 369.400 3.067 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccc(F)c(OC)c1 ZINC000821104539 606866665 /nfs/dbraw/zinc/86/66/65/606866665.db2.gz HSDQPIKBXSSETG-UHFFFAOYSA-N -1 3 369.400 3.067 20 0 FGADHM Cc1ccc2c(c1)[C@H](Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)CO2 ZINC000822275648 606878385 /nfs/dbraw/zinc/87/83/85/606878385.db2.gz YALXZYGYQYWBPJ-LLVKDONJSA-N -1 3 362.315 3.135 20 0 FGADHM Cc1ccc2c(c1)[C@H](Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)CO2 ZINC000822275648 606878386 /nfs/dbraw/zinc/87/83/86/606878386.db2.gz YALXZYGYQYWBPJ-LLVKDONJSA-N -1 3 362.315 3.135 20 0 FGADHM CC(C)(C)c1ccc(C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)s1 ZINC000819958723 606913529 /nfs/dbraw/zinc/91/35/29/606913529.db2.gz PAHZMKOJWYVENM-UHFFFAOYSA-N -1 3 359.430 3.295 20 0 FGADHM CC(C)(C)c1ccc(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)s1 ZINC000819958723 606913531 /nfs/dbraw/zinc/91/35/31/606913531.db2.gz PAHZMKOJWYVENM-UHFFFAOYSA-N -1 3 359.430 3.295 20 0 FGADHM Cc1ccc(NC(=O)C2CC2)cc1NCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822242220 606928366 /nfs/dbraw/zinc/92/83/66/606928366.db2.gz DZWNDAICLCNYIN-UHFFFAOYSA-N -1 3 366.400 3.275 20 0 FGADHM Cc1ccc(NC(=O)C2CC2)cc1NCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822242220 606928367 /nfs/dbraw/zinc/92/83/67/606928367.db2.gz DZWNDAICLCNYIN-UHFFFAOYSA-N -1 3 366.400 3.275 20 0 FGADHM CC[C@]1(C)CCN(C(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000820950732 606933413 /nfs/dbraw/zinc/93/34/13/606933413.db2.gz ROTHZVIKZXAQKQ-OAHLLOKOSA-N -1 3 350.879 3.339 20 0 FGADHM CC[C@]1(C)CCN(C(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000820950732 606933416 /nfs/dbraw/zinc/93/34/16/606933416.db2.gz ROTHZVIKZXAQKQ-OAHLLOKOSA-N -1 3 350.879 3.339 20 0 FGADHM C[C@@H](C(=O)OCCCOc1cccc(-c2nnn[n-]2)c1)c1ccsc1 ZINC000819884637 606949541 /nfs/dbraw/zinc/94/95/41/606949541.db2.gz YCMYKSHPGYBEMO-GFCCVEGCSA-N -1 3 358.423 3.044 20 0 FGADHM C[C@@H](C(=O)OCCCOc1cccc(-c2nn[n-]n2)c1)c1ccsc1 ZINC000819884637 606949542 /nfs/dbraw/zinc/94/95/42/606949542.db2.gz YCMYKSHPGYBEMO-GFCCVEGCSA-N -1 3 358.423 3.044 20 0 FGADHM c1cc([C@H]2CN(c3nc4ccccc4cc3-c3nnn[n-]3)CCO2)cs1 ZINC000823802548 606949838 /nfs/dbraw/zinc/94/98/38/606949838.db2.gz RZBMJKPPCRSSPN-MRXNPFEDSA-N -1 3 364.434 3.054 20 0 FGADHM c1cc([C@H]2CN(c3nc4ccccc4cc3-c3nn[n-]n3)CCO2)cs1 ZINC000823802548 606949839 /nfs/dbraw/zinc/94/98/39/606949839.db2.gz RZBMJKPPCRSSPN-MRXNPFEDSA-N -1 3 364.434 3.054 20 0 FGADHM c1cc([C@@H]2CN(c3c(-c4nnn[n-]4)cnc4ccccc43)CCO2)cs1 ZINC000823798768 606949898 /nfs/dbraw/zinc/94/98/98/606949898.db2.gz XUYAVZPKEOIIFZ-INIZCTEOSA-N -1 3 364.434 3.054 20 0 FGADHM c1cc([C@@H]2CN(c3c(-c4nn[n-]n4)cnc4ccccc43)CCO2)cs1 ZINC000823798768 606949899 /nfs/dbraw/zinc/94/98/99/606949899.db2.gz XUYAVZPKEOIIFZ-INIZCTEOSA-N -1 3 364.434 3.054 20 0 FGADHM Cc1ccc(C)c(CC(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)c1 ZINC000822232292 606963567 /nfs/dbraw/zinc/96/35/67/606963567.db2.gz ZUZGUAXEJXUIOA-UHFFFAOYSA-N -1 3 355.829 3.342 20 0 FGADHM Cc1ccc(C)c(CC(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)c1 ZINC000822232292 606963569 /nfs/dbraw/zinc/96/35/69/606963569.db2.gz ZUZGUAXEJXUIOA-UHFFFAOYSA-N -1 3 355.829 3.342 20 0 FGADHM Cc1noc(C(F)F)c1C(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000822519240 606963713 /nfs/dbraw/zinc/96/37/13/606963713.db2.gz COGNYOBTVYTTOF-UHFFFAOYSA-N -1 3 368.731 3.031 20 0 FGADHM Cc1noc(C(F)F)c1C(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000822519240 606963715 /nfs/dbraw/zinc/96/37/15/606963715.db2.gz COGNYOBTVYTTOF-UHFFFAOYSA-N -1 3 368.731 3.031 20 0 FGADHM CC(C)(C)[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)cn1)c1ccc(F)cc1F ZINC000819898744 606965399 /nfs/dbraw/zinc/96/53/99/606965399.db2.gz IMXSOSWTLQOATQ-HNNXBMFYSA-N -1 3 372.379 3.057 20 0 FGADHM CC(C)(C)[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)cn1)c1ccc(F)cc1F ZINC000819898744 606965400 /nfs/dbraw/zinc/96/54/00/606965400.db2.gz IMXSOSWTLQOATQ-HNNXBMFYSA-N -1 3 372.379 3.057 20 0 FGADHM O=C(Nc1cc(F)cc(Cl)c1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823299047 606966873 /nfs/dbraw/zinc/96/68/73/606966873.db2.gz FBCMIIGKECVGIW-UHFFFAOYSA-N -1 3 353.691 3.190 20 0 FGADHM O=C(Nc1cc(F)cc(Cl)c1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823299047 606966875 /nfs/dbraw/zinc/96/68/75/606966875.db2.gz FBCMIIGKECVGIW-UHFFFAOYSA-N -1 3 353.691 3.190 20 0 FGADHM CN(C(=O)[C@H]1CCC[C@H](C(F)(F)F)C1)c1ccccc1-c1nnn[n-]1 ZINC000821569655 606971142 /nfs/dbraw/zinc/97/11/42/606971142.db2.gz RFUNOBNSCLLMJE-QWRGUYRKSA-N -1 3 353.348 3.198 20 0 FGADHM CN(C(=O)[C@H]1CCC[C@H](C(F)(F)F)C1)c1ccccc1-c1nn[n-]n1 ZINC000821569655 606971144 /nfs/dbraw/zinc/97/11/44/606971144.db2.gz RFUNOBNSCLLMJE-QWRGUYRKSA-N -1 3 353.348 3.198 20 0 FGADHM CCn1c(SCc2ccc(-c3nnn[n-]3)cc2)nnc1-c1ccco1 ZINC000821565547 606983953 /nfs/dbraw/zinc/98/39/53/606983953.db2.gz YFPRLIQGKXNVAF-UHFFFAOYSA-N -1 3 353.411 3.030 20 0 FGADHM CCn1c(SCc2ccc(-c3nn[n-]n3)cc2)nnc1-c1ccco1 ZINC000821565547 606983955 /nfs/dbraw/zinc/98/39/55/606983955.db2.gz YFPRLIQGKXNVAF-UHFFFAOYSA-N -1 3 353.411 3.030 20 0 FGADHM O=C(CCc1ccc(Cl)s1)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822977888 606995870 /nfs/dbraw/zinc/99/58/70/606995870.db2.gz AZPWGJUPPUAPKB-UHFFFAOYSA-N -1 3 366.805 3.397 20 0 FGADHM O=C(CCc1ccc(Cl)s1)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822977888 606995872 /nfs/dbraw/zinc/99/58/72/606995872.db2.gz AZPWGJUPPUAPKB-UHFFFAOYSA-N -1 3 366.805 3.397 20 0 FGADHM Cc1ccc([C@@H](C)NC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000822229019 607001345 /nfs/dbraw/zinc/00/13/45/607001345.db2.gz KRMMFNCAKIJVJW-GFCCVEGCSA-N -1 3 371.466 3.271 20 0 FGADHM Cc1ccc([C@@H](C)NC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000822229019 607001348 /nfs/dbraw/zinc/00/13/48/607001348.db2.gz KRMMFNCAKIJVJW-GFCCVEGCSA-N -1 3 371.466 3.271 20 0 FGADHM Fc1cccc(-c2nnc(CSc3cccc(-c4nnn[n-]4)c3)o2)c1 ZINC000822786445 607014090 /nfs/dbraw/zinc/01/40/90/607014090.db2.gz KKOPAHSTRJRSIJ-UHFFFAOYSA-N -1 3 354.370 3.348 20 0 FGADHM Fc1cccc(-c2nnc(CSc3cccc(-c4nn[n-]n4)c3)o2)c1 ZINC000822786445 607014092 /nfs/dbraw/zinc/01/40/92/607014092.db2.gz KKOPAHSTRJRSIJ-UHFFFAOYSA-N -1 3 354.370 3.348 20 0 FGADHM Cn1cc(-c2nc(CSc3cccc(-c4nnn[n-]4)c3)cs2)cn1 ZINC000822604524 607016024 /nfs/dbraw/zinc/01/60/24/607016024.db2.gz GSPALJLEHFGDHS-UHFFFAOYSA-N -1 3 355.452 3.016 20 0 FGADHM Cn1cc(-c2nc(CSc3cccc(-c4nn[n-]n4)c3)cs2)cn1 ZINC000822604524 607016027 /nfs/dbraw/zinc/01/60/27/607016027.db2.gz GSPALJLEHFGDHS-UHFFFAOYSA-N -1 3 355.452 3.016 20 0 FGADHM CC(C)[C@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)N1CCCC[C@@H]1C ZINC000820032753 607016307 /nfs/dbraw/zinc/01/63/07/607016307.db2.gz QDLLEQXHWLTTRU-BBRMVZONSA-N -1 3 359.499 3.384 20 0 FGADHM CC(C)[C@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)N1CCCC[C@@H]1C ZINC000820032753 607016309 /nfs/dbraw/zinc/01/63/09/607016309.db2.gz QDLLEQXHWLTTRU-BBRMVZONSA-N -1 3 359.499 3.384 20 0 FGADHM Cc1cn(CC(=O)N[C@@H](C)c2ccc3ccccc3c2)cc1-c1nnn[n-]1 ZINC000822383776 607021722 /nfs/dbraw/zinc/02/17/22/607021722.db2.gz BXTJLXAIICHDPD-AWEZNQCLSA-N -1 3 360.421 3.007 20 0 FGADHM Cc1cn(CC(=O)N[C@@H](C)c2ccc3ccccc3c2)cc1-c1nn[n-]n1 ZINC000822383776 607021723 /nfs/dbraw/zinc/02/17/23/607021723.db2.gz BXTJLXAIICHDPD-AWEZNQCLSA-N -1 3 360.421 3.007 20 0 FGADHM Cc1ccc(NC(=O)Cc2ccc(-c3nnn[n-]3)cc2)cc1-c1ncco1 ZINC000822248918 607028138 /nfs/dbraw/zinc/02/81/38/607028138.db2.gz UKHMSBJPNFXNNV-UHFFFAOYSA-N -1 3 360.377 3.011 20 0 FGADHM Cc1ccc(NC(=O)Cc2ccc(-c3nn[n-]n3)cc2)cc1-c1ncco1 ZINC000822248918 607028139 /nfs/dbraw/zinc/02/81/39/607028139.db2.gz UKHMSBJPNFXNNV-UHFFFAOYSA-N -1 3 360.377 3.011 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1OCc1ccn(-c2ccc(F)cc2)n1 ZINC000822221148 607029848 /nfs/dbraw/zinc/02/98/48/607029848.db2.gz CLVDJDWLYRUUPG-UHFFFAOYSA-N -1 3 350.357 3.079 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1OCc1ccn(-c2ccc(F)cc2)n1 ZINC000822221148 607029849 /nfs/dbraw/zinc/02/98/49/607029849.db2.gz CLVDJDWLYRUUPG-UHFFFAOYSA-N -1 3 350.357 3.079 20 0 FGADHM CCc1nc(COc2ccc(Br)cc2-c2nnn[n-]2)cs1 ZINC000821510098 607031520 /nfs/dbraw/zinc/03/15/20/607031520.db2.gz WMWYSQPNCCKDJF-UHFFFAOYSA-N -1 3 366.244 3.227 20 0 FGADHM CCc1nc(COc2ccc(Br)cc2-c2nn[n-]n2)cs1 ZINC000821510098 607031522 /nfs/dbraw/zinc/03/15/22/607031522.db2.gz WMWYSQPNCCKDJF-UHFFFAOYSA-N -1 3 366.244 3.227 20 0 FGADHM Cc1cccc([C@@H]2CCCN2c2cc(-c3nnn[n-]3)c3ccccc3n2)n1 ZINC000822299676 607032614 /nfs/dbraw/zinc/03/26/14/607032614.db2.gz QPVDOVYWQBLBHV-SFHVURJKSA-N -1 3 357.421 3.460 20 0 FGADHM Cc1cccc([C@@H]2CCCN2c2cc(-c3nn[n-]n3)c3ccccc3n2)n1 ZINC000822299676 607032616 /nfs/dbraw/zinc/03/26/16/607032616.db2.gz QPVDOVYWQBLBHV-SFHVURJKSA-N -1 3 357.421 3.460 20 0 FGADHM CC(C)(C)OC1CCN(c2nc3ccccc3cc2-c2nnn[n-]2)CC1 ZINC000819946436 607043927 /nfs/dbraw/zinc/04/39/27/607043927.db2.gz KGNVUTBFNLXLRK-UHFFFAOYSA-N -1 3 352.442 3.199 20 0 FGADHM CC(C)(C)OC1CCN(c2nc3ccccc3cc2-c2nn[n-]n2)CC1 ZINC000819946436 607043928 /nfs/dbraw/zinc/04/39/28/607043928.db2.gz KGNVUTBFNLXLRK-UHFFFAOYSA-N -1 3 352.442 3.199 20 0 FGADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000822332626 607048023 /nfs/dbraw/zinc/04/80/23/607048023.db2.gz QGRWILJAQQPYMT-GUYCJALGSA-N -1 3 374.452 3.007 20 0 FGADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000822332626 607048025 /nfs/dbraw/zinc/04/80/25/607048025.db2.gz QGRWILJAQQPYMT-GUYCJALGSA-N -1 3 374.452 3.007 20 0 FGADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000822332625 607048371 /nfs/dbraw/zinc/04/83/71/607048371.db2.gz QGRWILJAQQPYMT-DYVFJYSZSA-N -1 3 374.452 3.007 20 0 FGADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000822332625 607048372 /nfs/dbraw/zinc/04/83/72/607048372.db2.gz QGRWILJAQQPYMT-DYVFJYSZSA-N -1 3 374.452 3.007 20 0 FGADHM CCOC(=O)c1sc(NC(=O)C=C(CC)CC)c(-c2nnn[n-]2)c1C ZINC000821346894 607052547 /nfs/dbraw/zinc/05/25/47/607052547.db2.gz RAPISPLNHBFZGV-UHFFFAOYSA-N -1 3 363.443 3.098 20 0 FGADHM CCOC(=O)c1sc(NC(=O)C=C(CC)CC)c(-c2nn[n-]n2)c1C ZINC000821346894 607052550 /nfs/dbraw/zinc/05/25/50/607052550.db2.gz RAPISPLNHBFZGV-UHFFFAOYSA-N -1 3 363.443 3.098 20 0 FGADHM Cc1ccccc1[C@@H]1CN(Cc2cc(F)ccc2-c2nn[n-]n2)[C@H](C)CO1 ZINC000822351741 607070529 /nfs/dbraw/zinc/07/05/29/607070529.db2.gz PTVUWNUFKMJMKP-KUHUBIRLSA-N -1 3 367.428 3.276 20 0 FGADHM C[C@@H](CC(=O)OCc1cc(F)ccc1-c1nnn[n-]1)c1ccccc1F ZINC000820226601 607082277 /nfs/dbraw/zinc/08/22/77/607082277.db2.gz VYJMJTUWQCDBGU-NSHDSACASA-N -1 3 358.348 3.382 20 0 FGADHM C[C@@H](CC(=O)OCc1cc(F)ccc1-c1nn[n-]n1)c1ccccc1F ZINC000820226601 607082278 /nfs/dbraw/zinc/08/22/78/607082278.db2.gz VYJMJTUWQCDBGU-NSHDSACASA-N -1 3 358.348 3.382 20 0 FGADHM O=C(C/C=C/c1ccc(F)cc1)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000822945371 607086380 /nfs/dbraw/zinc/08/63/80/607086380.db2.gz CLBDTQDBNRGVIV-OWOJBTEDSA-N -1 3 356.332 3.292 20 0 FGADHM O=C(C/C=C/c1ccc(F)cc1)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000822945371 607086382 /nfs/dbraw/zinc/08/63/82/607086382.db2.gz CLBDTQDBNRGVIV-OWOJBTEDSA-N -1 3 356.332 3.292 20 0 FGADHM CC[C@@H](Cc1ccccc1)N(CC)C(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000820913440 607087201 /nfs/dbraw/zinc/08/72/01/607087201.db2.gz FUKSKOMXSANNEK-IBGZPJMESA-N -1 3 363.465 3.279 20 0 FGADHM CC[C@@H](Cc1ccccc1)N(CC)C(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000820913440 607087203 /nfs/dbraw/zinc/08/72/03/607087203.db2.gz FUKSKOMXSANNEK-IBGZPJMESA-N -1 3 363.465 3.279 20 0 FGADHM C[C@@H](NC(=O)N(C1CC1)C1CCCCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820341271 607108193 /nfs/dbraw/zinc/10/81/93/607108193.db2.gz PFGHVURXLQOPQU-CYBMUJFWSA-N -1 3 354.458 3.434 20 0 FGADHM C[C@@H](NC(=O)N(C1CC1)C1CCCCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820341271 607108195 /nfs/dbraw/zinc/10/81/95/607108195.db2.gz PFGHVURXLQOPQU-CYBMUJFWSA-N -1 3 354.458 3.434 20 0 FGADHM COc1ccc(C(C)(C)C(=O)OCc2cc(F)ccc2-c2nnn[n-]2)cc1 ZINC000821772967 607116571 /nfs/dbraw/zinc/11/65/71/607116571.db2.gz VXVBQSNARVULQM-UHFFFAOYSA-N -1 3 370.384 3.035 20 0 FGADHM COc1ccc(C(C)(C)C(=O)OCc2cc(F)ccc2-c2nn[n-]n2)cc1 ZINC000821772967 607116573 /nfs/dbraw/zinc/11/65/73/607116573.db2.gz VXVBQSNARVULQM-UHFFFAOYSA-N -1 3 370.384 3.035 20 0 FGADHM Clc1cc(-c2nn[n-]n2)ccc1NCc1cnn(-c2ccccc2)c1 ZINC000822562711 607125041 /nfs/dbraw/zinc/12/50/41/607125041.db2.gz DDNDMIFGBXGKCG-UHFFFAOYSA-N -1 3 351.801 3.318 20 0 FGADHM CC(C)c1nn(-c2ccccc2)cc1CNCc1ccc(-c2nnn[n-]2)o1 ZINC000820206504 607129821 /nfs/dbraw/zinc/12/98/21/607129821.db2.gz NSCQVBNJGLAAKI-UHFFFAOYSA-N -1 3 363.425 3.059 20 0 FGADHM CC(C)c1nn(-c2ccccc2)cc1CNCc1ccc(-c2nn[n-]n2)o1 ZINC000820206504 607129822 /nfs/dbraw/zinc/12/98/22/607129822.db2.gz NSCQVBNJGLAAKI-UHFFFAOYSA-N -1 3 363.425 3.059 20 0 FGADHM O=C(CSCc1cc2ccccc2o1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000823060491 607133736 /nfs/dbraw/zinc/13/37/36/607133736.db2.gz DTYMMUITAZINFG-UHFFFAOYSA-N -1 3 365.418 3.485 20 0 FGADHM O=C(CSCc1cc2ccccc2o1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000823060491 607133737 /nfs/dbraw/zinc/13/37/37/607133737.db2.gz DTYMMUITAZINFG-UHFFFAOYSA-N -1 3 365.418 3.485 20 0 FGADHM Fc1ccc(-c2cc(COc3ccc(-c4nnn[n-]4)cc3F)on2)cc1 ZINC000822754298 607137340 /nfs/dbraw/zinc/13/73/40/607137340.db2.gz YMUZQFSLHYVOON-UHFFFAOYSA-N -1 3 355.304 3.379 20 0 FGADHM Fc1ccc(-c2cc(COc3ccc(-c4nn[n-]n4)cc3F)on2)cc1 ZINC000822754298 607137342 /nfs/dbraw/zinc/13/73/42/607137342.db2.gz YMUZQFSLHYVOON-UHFFFAOYSA-N -1 3 355.304 3.379 20 0 FGADHM COc1ccc(-c2cnc(COc3ccc(-c4nnn[n-]4)cc3F)o2)cc1 ZINC000821733037 607138062 /nfs/dbraw/zinc/13/80/62/607138062.db2.gz ZAMSSRQSDMRRRT-UHFFFAOYSA-N -1 3 367.340 3.248 20 0 FGADHM COc1ccc(-c2cnc(COc3ccc(-c4nn[n-]n4)cc3F)o2)cc1 ZINC000821733037 607138063 /nfs/dbraw/zinc/13/80/63/607138063.db2.gz ZAMSSRQSDMRRRT-UHFFFAOYSA-N -1 3 367.340 3.248 20 0 FGADHM Cc1cc(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)c(Cl)cc1F ZINC000822167776 607144093 /nfs/dbraw/zinc/14/40/93/607144093.db2.gz IQGNTXBPZBIWLQ-UHFFFAOYSA-N -1 3 363.755 3.383 20 0 FGADHM Cc1cc(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)c(Cl)cc1F ZINC000822167776 607144095 /nfs/dbraw/zinc/14/40/95/607144095.db2.gz IQGNTXBPZBIWLQ-UHFFFAOYSA-N -1 3 363.755 3.383 20 0 FGADHM CCO[C@@H](CC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C)C(C)C ZINC000821350807 607153786 /nfs/dbraw/zinc/15/37/86/607153786.db2.gz DTEVKBWOIOVBIW-SFHVURJKSA-N -1 3 373.501 3.303 20 0 FGADHM CCO[C@@H](CC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C)C(C)C ZINC000821350807 607153788 /nfs/dbraw/zinc/15/37/88/607153788.db2.gz DTEVKBWOIOVBIW-SFHVURJKSA-N -1 3 373.501 3.303 20 0 FGADHM O=C(Cc1ccc(F)cc1Cl)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000823082792 607155650 /nfs/dbraw/zinc/15/56/50/607155650.db2.gz QCCIHRZAZVKKSR-UHFFFAOYSA-N -1 3 364.739 3.084 20 0 FGADHM O=C(Cc1ccc(F)cc1Cl)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000823082792 607155652 /nfs/dbraw/zinc/15/56/52/607155652.db2.gz QCCIHRZAZVKKSR-UHFFFAOYSA-N -1 3 364.739 3.084 20 0 FGADHM C[C@H](NC(=O)Cc1ccc(F)cc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000820335362 607156439 /nfs/dbraw/zinc/15/64/39/607156439.db2.gz WYDWRAJRBGVVJF-JTQLQIEISA-N -1 3 359.792 3.079 20 0 FGADHM C[C@H](NC(=O)Cc1ccc(F)cc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000820335362 607156440 /nfs/dbraw/zinc/15/64/40/607156440.db2.gz WYDWRAJRBGVVJF-JTQLQIEISA-N -1 3 359.792 3.079 20 0 FGADHM C[C@H](COc1ccccc1)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000820295162 607156770 /nfs/dbraw/zinc/15/67/70/607156770.db2.gz ZQDXTWUYSQZSHN-CYBMUJFWSA-N -1 3 368.441 3.077 20 0 FGADHM C[C@H](COc1ccccc1)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000820295162 607156772 /nfs/dbraw/zinc/15/67/72/607156772.db2.gz ZQDXTWUYSQZSHN-CYBMUJFWSA-N -1 3 368.441 3.077 20 0 FGADHM Clc1ccccc1NCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000822591147 607164756 /nfs/dbraw/zinc/16/47/56/607164756.db2.gz SGSNEOPWWLHACO-UHFFFAOYSA-N -1 3 353.773 3.182 20 0 FGADHM Clc1ccccc1NCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822591147 607164757 /nfs/dbraw/zinc/16/47/57/607164757.db2.gz SGSNEOPWWLHACO-UHFFFAOYSA-N -1 3 353.773 3.182 20 0 FGADHM Clc1cccc(NCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)c1 ZINC000822585495 607165047 /nfs/dbraw/zinc/16/50/47/607165047.db2.gz ATFGXPJZXZCMOQ-UHFFFAOYSA-N -1 3 353.773 3.182 20 0 FGADHM Clc1cccc(NCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)c1 ZINC000822585495 607165049 /nfs/dbraw/zinc/16/50/49/607165049.db2.gz ATFGXPJZXZCMOQ-UHFFFAOYSA-N -1 3 353.773 3.182 20 0 FGADHM O=C(c1ccc(-c2nnn[n-]2)cc1)N1CCC[C@H]1CCCc1ccccc1 ZINC000823478910 607165757 /nfs/dbraw/zinc/16/57/57/607165757.db2.gz WLVTZLIDQOVHGB-LJQANCHMSA-N -1 3 361.449 3.494 20 0 FGADHM O=C(c1ccc(-c2nn[n-]n2)cc1)N1CCC[C@H]1CCCc1ccccc1 ZINC000823478910 607165758 /nfs/dbraw/zinc/16/57/58/607165758.db2.gz WLVTZLIDQOVHGB-LJQANCHMSA-N -1 3 361.449 3.494 20 0 FGADHM Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000822258852 607190911 /nfs/dbraw/zinc/19/09/11/607190911.db2.gz FKSKDXPXQRURGA-NSHDSACASA-N -1 3 357.801 3.235 20 0 FGADHM Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000822258852 607190912 /nfs/dbraw/zinc/19/09/12/607190912.db2.gz FKSKDXPXQRURGA-NSHDSACASA-N -1 3 357.801 3.235 20 0 FGADHM Cc1ccc(CN(C)C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000822235877 607195780 /nfs/dbraw/zinc/19/57/80/607195780.db2.gz ANCQGBXIMXMMMN-UHFFFAOYSA-N -1 3 356.817 3.492 20 0 FGADHM Cc1ccc(CN(C)C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000822235877 607195781 /nfs/dbraw/zinc/19/57/81/607195781.db2.gz ANCQGBXIMXMMMN-UHFFFAOYSA-N -1 3 356.817 3.492 20 0 FGADHM CN(CCOc1ccccc1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821605151 607195820 /nfs/dbraw/zinc/19/58/20/607195820.db2.gz XJCDXGVTBYBZCK-UHFFFAOYSA-N -1 3 372.816 3.063 20 0 FGADHM CN(CCOc1ccccc1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821605151 607195821 /nfs/dbraw/zinc/19/58/21/607195821.db2.gz XJCDXGVTBYBZCK-UHFFFAOYSA-N -1 3 372.816 3.063 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N[C@@H]1C[C@@H]1c1ccccc1 ZINC000823318346 607196172 /nfs/dbraw/zinc/19/61/72/607196172.db2.gz CSCSJCUVHIRMRI-IUODEOHRSA-N -1 3 354.801 3.198 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N[C@@H]1C[C@@H]1c1ccccc1 ZINC000823318346 607196173 /nfs/dbraw/zinc/19/61/73/607196173.db2.gz CSCSJCUVHIRMRI-IUODEOHRSA-N -1 3 354.801 3.198 20 0 FGADHM Cc1cccc(F)c1CNC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000822308988 607200427 /nfs/dbraw/zinc/20/04/27/607200427.db2.gz LPZVKEMXWWHEDA-UHFFFAOYSA-N -1 3 360.780 3.289 20 0 FGADHM Cc1cccc(F)c1CNC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822308988 607200428 /nfs/dbraw/zinc/20/04/28/607200428.db2.gz LPZVKEMXWWHEDA-UHFFFAOYSA-N -1 3 360.780 3.289 20 0 FGADHM Cc1csc([C@H](C)NC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)n1 ZINC000822410176 607202613 /nfs/dbraw/zinc/20/26/13/607202613.db2.gz YMGOECWUKYRJOM-QMMMGPOBSA-N -1 3 363.834 3.168 20 0 FGADHM Cc1csc([C@H](C)NC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000822410176 607202614 /nfs/dbraw/zinc/20/26/14/607202614.db2.gz YMGOECWUKYRJOM-QMMMGPOBSA-N -1 3 363.834 3.168 20 0 FGADHM C[C@@H](NC(=O)c1ncc(-c2nnn[n-]2)cc1Cl)c1ccccc1Cl ZINC000820402838 607231317 /nfs/dbraw/zinc/23/13/17/607231317.db2.gz GIDVZBLLRMFJME-MRVPVSSYSA-N -1 3 363.208 3.060 20 0 FGADHM C[C@@H](NC(=O)c1ncc(-c2nn[n-]n2)cc1Cl)c1ccccc1Cl ZINC000820402838 607231318 /nfs/dbraw/zinc/23/13/18/607231318.db2.gz GIDVZBLLRMFJME-MRVPVSSYSA-N -1 3 363.208 3.060 20 0 FGADHM Cc1ccc2nc(NC(=O)c3ncc(-c4nnn[n-]4)cc3Cl)sc2c1 ZINC000822279634 607232315 /nfs/dbraw/zinc/23/23/15/607232315.db2.gz DGBUHRHQIKJCEW-UHFFFAOYSA-N -1 3 371.813 3.086 20 0 FGADHM Cc1ccc2nc(NC(=O)c3ncc(-c4nn[n-]n4)cc3Cl)sc2c1 ZINC000822279634 607232316 /nfs/dbraw/zinc/23/23/16/607232316.db2.gz DGBUHRHQIKJCEW-UHFFFAOYSA-N -1 3 371.813 3.086 20 0 FGADHM C[C@H]1CCC[C@H](N(C)C(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820696786 607237106 /nfs/dbraw/zinc/23/71/06/607237106.db2.gz CIKNFCJZXWLJHP-ZFWWWQNUSA-N -1 3 357.458 3.061 20 0 FGADHM C[C@H]1CCC[C@H](N(C)C(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820696786 607237107 /nfs/dbraw/zinc/23/71/07/607237107.db2.gz CIKNFCJZXWLJHP-ZFWWWQNUSA-N -1 3 357.458 3.061 20 0 FGADHM O=C(Cc1ccco1)Nc1sc2c(c1-c1nnn[n-]1)CCCCCC2 ZINC000823115510 607237599 /nfs/dbraw/zinc/23/75/99/607237599.db2.gz QBALCQQCVUBIOL-UHFFFAOYSA-N -1 3 357.439 3.361 20 0 FGADHM O=C(Cc1ccco1)Nc1sc2c(c1-c1nn[n-]n1)CCCCCC2 ZINC000823115510 607237600 /nfs/dbraw/zinc/23/76/00/607237600.db2.gz QBALCQQCVUBIOL-UHFFFAOYSA-N -1 3 357.439 3.361 20 0 FGADHM O=C(Cc1ccco1)Oc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000823115407 607239391 /nfs/dbraw/zinc/23/93/91/607239391.db2.gz NKFNFOHPGZYDBX-UHFFFAOYSA-N -1 3 362.345 3.400 20 0 FGADHM O=C(Cc1ccco1)Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000823115407 607239392 /nfs/dbraw/zinc/23/93/92/607239392.db2.gz NKFNFOHPGZYDBX-UHFFFAOYSA-N -1 3 362.345 3.400 20 0 FGADHM CO[C@@](C)(C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)c1ccccc1 ZINC000821672665 607240321 /nfs/dbraw/zinc/24/03/21/607240321.db2.gz SXZLFMQUBNRRGQ-QGZVFWFLSA-N -1 3 357.801 3.020 20 0 FGADHM CO[C@@](C)(C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)c1ccccc1 ZINC000821672665 607240322 /nfs/dbraw/zinc/24/03/22/607240322.db2.gz SXZLFMQUBNRRGQ-QGZVFWFLSA-N -1 3 357.801 3.020 20 0 FGADHM O=C(Cc1cc2ccccc2o1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823073810 607242863 /nfs/dbraw/zinc/24/28/63/607242863.db2.gz DOKZRSNWCZUWKV-UHFFFAOYSA-N -1 3 353.769 3.448 20 0 FGADHM O=C(Cc1cc2ccccc2o1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823073810 607242864 /nfs/dbraw/zinc/24/28/64/607242864.db2.gz DOKZRSNWCZUWKV-UHFFFAOYSA-N -1 3 353.769 3.448 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1ccc(C(F)(F)F)nc1 ZINC000823319404 607243208 /nfs/dbraw/zinc/24/32/08/607243208.db2.gz UEIIWUQMZVWSSG-UHFFFAOYSA-N -1 3 368.706 3.186 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1ccc(C(F)(F)F)nc1 ZINC000823319404 607243209 /nfs/dbraw/zinc/24/32/09/607243209.db2.gz UEIIWUQMZVWSSG-UHFFFAOYSA-N -1 3 368.706 3.186 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)C1(c2cccc(F)c2)CC1 ZINC000823313478 607243385 /nfs/dbraw/zinc/24/33/85/607243385.db2.gz CCDJQPDJTMTNFY-UHFFFAOYSA-N -1 3 357.776 3.330 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)C1(c2cccc(F)c2)CC1 ZINC000823313478 607243386 /nfs/dbraw/zinc/24/33/86/607243386.db2.gz CCDJQPDJTMTNFY-UHFFFAOYSA-N -1 3 357.776 3.330 20 0 FGADHM Cc1c(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cnn1C(C)(C)C ZINC000822021378 607243465 /nfs/dbraw/zinc/24/34/65/607243465.db2.gz YZNJUYOQHKFDAS-UHFFFAOYSA-N -1 3 359.821 3.032 20 0 FGADHM Cc1c(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cnn1C(C)(C)C ZINC000822021378 607243466 /nfs/dbraw/zinc/24/34/66/607243466.db2.gz YZNJUYOQHKFDAS-UHFFFAOYSA-N -1 3 359.821 3.032 20 0 FGADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)c1cc(F)cc(C(F)(F)F)c1 ZINC000823451608 607246052 /nfs/dbraw/zinc/24/60/52/607246052.db2.gz WLOBLOLJHATQFD-UHFFFAOYSA-N -1 3 370.237 3.383 20 0 FGADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)c1cc(F)cc(C(F)(F)F)c1 ZINC000823451608 607246053 /nfs/dbraw/zinc/24/60/53/607246053.db2.gz WLOBLOLJHATQFD-UHFFFAOYSA-N -1 3 370.237 3.383 20 0 FGADHM CSc1ccc(O[C@@H](C)C(=O)Oc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000821984379 607247853 /nfs/dbraw/zinc/24/78/53/607247853.db2.gz PILCNXYISPHDDW-JTQLQIEISA-N -1 3 374.397 3.101 20 0 FGADHM CSc1ccc(O[C@@H](C)C(=O)Oc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000821984379 607247854 /nfs/dbraw/zinc/24/78/54/607247854.db2.gz PILCNXYISPHDDW-JTQLQIEISA-N -1 3 374.397 3.101 20 0 FGADHM Cc1c(NC(=S)Nc2ccc3c(c2)CCC3)cccc1-c1nnn[n-]1 ZINC000822115379 607251764 /nfs/dbraw/zinc/25/17/64/607251764.db2.gz DTNMQEKOBVMNGE-UHFFFAOYSA-N -1 3 350.451 3.473 20 0 FGADHM Cc1c(NC(=S)Nc2ccc3c(c2)CCC3)cccc1-c1nn[n-]n1 ZINC000822115379 607251765 /nfs/dbraw/zinc/25/17/65/607251765.db2.gz DTNMQEKOBVMNGE-UHFFFAOYSA-N -1 3 350.451 3.473 20 0 FGADHM CCc1cccc(CC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCC3)c1 ZINC000825722914 607783250 /nfs/dbraw/zinc/78/32/50/607783250.db2.gz OBNHUYJTIJCNJR-UHFFFAOYSA-N -1 3 353.451 3.161 20 0 FGADHM CCc1cccc(CC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)c1 ZINC000825722914 607783251 /nfs/dbraw/zinc/78/32/51/607783251.db2.gz OBNHUYJTIJCNJR-UHFFFAOYSA-N -1 3 353.451 3.161 20 0 FGADHM Cc1nc(Cl)ccc1C(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000826326229 607786881 /nfs/dbraw/zinc/78/68/81/607786881.db2.gz HACBDLRXLZQCGB-UHFFFAOYSA-N -1 3 363.208 3.154 20 0 FGADHM Cc1nc(Cl)ccc1C(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000826326229 607786882 /nfs/dbraw/zinc/78/68/82/607786882.db2.gz HACBDLRXLZQCGB-UHFFFAOYSA-N -1 3 363.208 3.154 20 0 FGADHM CN(C(=O)COc1cccc2ccccc21)c1ccccc1-c1nnn[n-]1 ZINC000825820364 607789126 /nfs/dbraw/zinc/78/91/26/607789126.db2.gz BSDVKBPXIYIBFC-UHFFFAOYSA-N -1 3 359.389 3.062 20 0 FGADHM CN(C(=O)COc1cccc2ccccc21)c1ccccc1-c1nn[n-]n1 ZINC000825820364 607789127 /nfs/dbraw/zinc/78/91/27/607789127.db2.gz BSDVKBPXIYIBFC-UHFFFAOYSA-N -1 3 359.389 3.062 20 0 FGADHM COc1ccc([C@@H](C)CC(=O)N(C)c2ccccc2-c2nnn[n-]2)cc1 ZINC000826187920 607789321 /nfs/dbraw/zinc/78/93/21/607789321.db2.gz IPDBESRTEUPPJA-ZDUSSCGKSA-N -1 3 351.410 3.032 20 0 FGADHM COc1ccc([C@@H](C)CC(=O)N(C)c2ccccc2-c2nn[n-]n2)cc1 ZINC000826187920 607789322 /nfs/dbraw/zinc/78/93/22/607789322.db2.gz IPDBESRTEUPPJA-ZDUSSCGKSA-N -1 3 351.410 3.032 20 0 FGADHM Cc1nc(C(C)(C)C)sc1C(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC000826323810 607790087 /nfs/dbraw/zinc/79/00/87/607790087.db2.gz SNNVWJLRXMKYCS-UHFFFAOYSA-N -1 3 356.455 3.206 20 0 FGADHM Cc1nc(C(C)(C)C)sc1C(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC000826323810 607790088 /nfs/dbraw/zinc/79/00/88/607790088.db2.gz SNNVWJLRXMKYCS-UHFFFAOYSA-N -1 3 356.455 3.206 20 0 FGADHM CCN(C(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000825366508 607796198 /nfs/dbraw/zinc/79/61/98/607796198.db2.gz ATQIPUCBSOYODA-ZBFHGGJFSA-N -1 3 369.375 3.302 20 0 FGADHM CCN(C(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000825366508 607796199 /nfs/dbraw/zinc/79/61/99/607796199.db2.gz ATQIPUCBSOYODA-ZBFHGGJFSA-N -1 3 369.375 3.302 20 0 FGADHM CCN(C(=O)c1ccc(-n2cc(C)cn2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825380784 607796745 /nfs/dbraw/zinc/79/67/45/607796745.db2.gz TWBHWPVKEMOPMM-UHFFFAOYSA-N -1 3 373.420 3.028 20 0 FGADHM CCN(C(=O)c1ccc(-n2cc(C)cn2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825380784 607796746 /nfs/dbraw/zinc/79/67/46/607796746.db2.gz TWBHWPVKEMOPMM-UHFFFAOYSA-N -1 3 373.420 3.028 20 0 FGADHM CCN(C(=O)Cc1coc2cc(F)ccc12)c1ccc(-c2nnn[n-]2)cc1 ZINC000825376394 607797559 /nfs/dbraw/zinc/79/75/59/607797559.db2.gz GHHZLQLBSXAABB-UHFFFAOYSA-N -1 3 365.368 3.348 20 0 FGADHM CCN(C(=O)Cc1coc2cc(F)ccc12)c1ccc(-c2nn[n-]n2)cc1 ZINC000825376394 607797560 /nfs/dbraw/zinc/79/75/60/607797560.db2.gz GHHZLQLBSXAABB-UHFFFAOYSA-N -1 3 365.368 3.348 20 0 FGADHM CCN(C(=O)c1ccc(OC)cc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000825385416 607799298 /nfs/dbraw/zinc/79/92/98/607799298.db2.gz FEEXLWODIYRBHO-UHFFFAOYSA-N -1 3 357.801 3.195 20 0 FGADHM CCN(C(=O)c1ccc(OC)cc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000825385416 607799299 /nfs/dbraw/zinc/79/92/99/607799299.db2.gz FEEXLWODIYRBHO-UHFFFAOYSA-N -1 3 357.801 3.195 20 0 FGADHM CCOc1ccccc1C(F)(F)C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000825653724 607801419 /nfs/dbraw/zinc/80/14/19/607801419.db2.gz INMAHBXWSNIJAV-UHFFFAOYSA-N -1 3 373.363 3.304 20 0 FGADHM CCOc1ccccc1C(F)(F)C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000825653724 607801420 /nfs/dbraw/zinc/80/14/20/607801420.db2.gz INMAHBXWSNIJAV-UHFFFAOYSA-N -1 3 373.363 3.304 20 0 FGADHM CC(C)(CCC(=O)NCc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000824152770 607818315 /nfs/dbraw/zinc/81/83/15/607818315.db2.gz MJPZXAFNLCQSQX-UHFFFAOYSA-N -1 3 367.428 3.380 20 0 FGADHM CC(C)(CCC(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000824152770 607818316 /nfs/dbraw/zinc/81/83/16/607818316.db2.gz MJPZXAFNLCQSQX-UHFFFAOYSA-N -1 3 367.428 3.380 20 0 FGADHM Clc1ccccc1OC[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000826354330 607820424 /nfs/dbraw/zinc/82/04/24/607820424.db2.gz YFAMFTRQYVEUMS-CYBMUJFWSA-N -1 3 370.844 3.211 20 0 FGADHM Clc1ccccc1OC[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000826354330 607820425 /nfs/dbraw/zinc/82/04/25/607820425.db2.gz YFAMFTRQYVEUMS-CYBMUJFWSA-N -1 3 370.844 3.211 20 0 FGADHM Cc1cc(C)c(CNc2ccc(C(F)(F)F)c(-c3nnn[n-]3)c2)c(=O)[nH]1 ZINC000826263226 607839164 /nfs/dbraw/zinc/83/91/64/607839164.db2.gz QREKFCPGTWNIPO-UHFFFAOYSA-N -1 3 364.331 3.215 20 0 FGADHM Cc1cc(C)c(CNc2ccc(C(F)(F)F)c(-c3nn[n-]n3)c2)c(=O)[nH]1 ZINC000826263226 607839165 /nfs/dbraw/zinc/83/91/65/607839165.db2.gz QREKFCPGTWNIPO-UHFFFAOYSA-N -1 3 364.331 3.215 20 0 FGADHM C[C@H]1CN(c2ccc3cc(-c4nnn[n-]4)ccc3n2)C[C@@H](c2ccccc2)O1 ZINC000824999124 607840127 /nfs/dbraw/zinc/84/01/27/607840127.db2.gz CNTYPGRJNDMMMM-LIRRHRJNSA-N -1 3 372.432 3.381 20 0 FGADHM C[C@H]1CN(c2ccc3cc(-c4nn[n-]n4)ccc3n2)C[C@@H](c2ccccc2)O1 ZINC000824999124 607840128 /nfs/dbraw/zinc/84/01/28/607840128.db2.gz CNTYPGRJNDMMMM-LIRRHRJNSA-N -1 3 372.432 3.381 20 0 FGADHM Fc1ccc(Oc2cc(CNc3cnccc3-c3nnn[n-]3)ccn2)cc1 ZINC000826376193 607840529 /nfs/dbraw/zinc/84/05/29/607840529.db2.gz SHGKTJCPJPBBBP-UHFFFAOYSA-N -1 3 363.356 3.200 20 0 FGADHM Fc1ccc(Oc2cc(CNc3cnccc3-c3nn[n-]n3)ccn2)cc1 ZINC000826376193 607840530 /nfs/dbraw/zinc/84/05/30/607840530.db2.gz SHGKTJCPJPBBBP-UHFFFAOYSA-N -1 3 363.356 3.200 20 0 FGADHM CCSc1nn(CN(C)c2ccc(-c3nn[n-]n3)cc2)c(=S)s1 ZINC000825679743 607846692 /nfs/dbraw/zinc/84/66/92/607846692.db2.gz CUSVINUXYMFUHZ-UHFFFAOYSA-N -1 3 365.513 3.060 20 0 FGADHM Cc1cc(Br)ccc1OC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000826256551 607862883 /nfs/dbraw/zinc/86/28/83/607862883.db2.gz PCFXLNOGKHSBHM-UHFFFAOYSA-N -1 3 365.212 3.218 20 0 FGADHM Cc1cc(Br)ccc1OC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000826256551 607862884 /nfs/dbraw/zinc/86/28/84/607862884.db2.gz PCFXLNOGKHSBHM-UHFFFAOYSA-N -1 3 365.212 3.218 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NCCC1Cc2ccccc2C1 ZINC000826277665 607918412 /nfs/dbraw/zinc/91/84/12/607918412.db2.gz CLXUAKNZUSTAPO-UHFFFAOYSA-N -1 3 362.437 3.102 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NCCC1Cc2ccccc2C1 ZINC000826277665 607918413 /nfs/dbraw/zinc/91/84/13/607918413.db2.gz CLXUAKNZUSTAPO-UHFFFAOYSA-N -1 3 362.437 3.102 20 0 FGADHM CC(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c2ccccc21 ZINC000823975295 607937295 /nfs/dbraw/zinc/93/72/95/607937295.db2.gz WJCJMQFQJVCASG-INIZCTEOSA-N -1 3 368.828 3.430 20 0 FGADHM CC(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c2ccccc21 ZINC000823975295 607937296 /nfs/dbraw/zinc/93/72/96/607937296.db2.gz WJCJMQFQJVCASG-INIZCTEOSA-N -1 3 368.828 3.430 20 0 FGADHM O=C(c1cc2ccc(Cl)cc2[nH]1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826470448 607951909 /nfs/dbraw/zinc/95/19/09/607951909.db2.gz QJKJVEFBNGTNIY-UHFFFAOYSA-N -1 3 364.796 3.204 20 0 FGADHM O=C(c1cc2ccc(Cl)cc2[nH]1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826470448 607951910 /nfs/dbraw/zinc/95/19/10/607951910.db2.gz QJKJVEFBNGTNIY-UHFFFAOYSA-N -1 3 364.796 3.204 20 0 FGADHM O=C(CSc1ccccc1Cl)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826421043 607951951 /nfs/dbraw/zinc/95/19/51/607951951.db2.gz OQRPOQRBHKSNPW-UHFFFAOYSA-N -1 3 371.853 3.202 20 0 FGADHM O=C(CSc1ccccc1Cl)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826421043 607951952 /nfs/dbraw/zinc/95/19/52/607951952.db2.gz OQRPOQRBHKSNPW-UHFFFAOYSA-N -1 3 371.853 3.202 20 0 FGADHM CC[C@H](C)Oc1ccc(C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)cc1 ZINC000825076548 607954158 /nfs/dbraw/zinc/95/41/58/607954158.db2.gz WLTSBHMOBNHVQR-ZDUSSCGKSA-N -1 3 363.421 3.247 20 0 FGADHM CC[C@H](C)Oc1ccc(C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)cc1 ZINC000825076548 607954159 /nfs/dbraw/zinc/95/41/59/607954159.db2.gz WLTSBHMOBNHVQR-ZDUSSCGKSA-N -1 3 363.421 3.247 20 0 FGADHM Cc1cccc(C(=O)OCc2cccc(-c3nnn[n-]3)c2)c1Br ZINC000826296007 607960132 /nfs/dbraw/zinc/96/01/32/607960132.db2.gz GMKDKWZIAMWPEX-UHFFFAOYSA-N -1 3 373.210 3.295 20 0 FGADHM Cc1cccc(C(=O)OCc2cccc(-c3nn[n-]n3)c2)c1Br ZINC000826296007 607960133 /nfs/dbraw/zinc/96/01/33/607960133.db2.gz GMKDKWZIAMWPEX-UHFFFAOYSA-N -1 3 373.210 3.295 20 0 FGADHM Cc1cc(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)ccc1Br ZINC000826257498 607963405 /nfs/dbraw/zinc/96/34/05/607963405.db2.gz FKQPUMAMUQOZEI-UHFFFAOYSA-N -1 3 372.226 3.214 20 0 FGADHM Cc1cc(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)ccc1Br ZINC000826257498 607963406 /nfs/dbraw/zinc/96/34/06/607963406.db2.gz FKQPUMAMUQOZEI-UHFFFAOYSA-N -1 3 372.226 3.214 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)C(F)(F)c1c(F)cccc1F ZINC000826454147 607963746 /nfs/dbraw/zinc/96/37/46/607963746.db2.gz KZOOZOLYMVWLKQ-UHFFFAOYSA-N -1 3 369.253 3.015 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)C(F)(F)c1c(F)cccc1F ZINC000826454147 607963747 /nfs/dbraw/zinc/96/37/47/607963747.db2.gz KZOOZOLYMVWLKQ-UHFFFAOYSA-N -1 3 369.253 3.015 20 0 FGADHM Cc1nnc(Sc2ccc(-c3nnn[n-]3)cn2)n1[C@@H]1CCC[C@H](C)C1 ZINC000826337345 607968690 /nfs/dbraw/zinc/96/86/90/607968690.db2.gz LHDJWAFXZOZTFZ-GXFFZTMASA-N -1 3 356.459 3.064 20 0 FGADHM Cc1nnc(Sc2ccc(-c3nn[n-]n3)cn2)n1[C@@H]1CCC[C@H](C)C1 ZINC000826337345 607968691 /nfs/dbraw/zinc/96/86/91/607968691.db2.gz LHDJWAFXZOZTFZ-GXFFZTMASA-N -1 3 356.459 3.064 20 0 FGADHM Cc1nnc(Sc2ccc(-c3nnn[n-]3)cn2)n1[C@H]1CCC[C@@H](C)C1 ZINC000826337346 607968705 /nfs/dbraw/zinc/96/87/05/607968705.db2.gz LHDJWAFXZOZTFZ-MFKMUULPSA-N -1 3 356.459 3.064 20 0 FGADHM Cc1nnc(Sc2ccc(-c3nn[n-]n3)cn2)n1[C@H]1CCC[C@@H](C)C1 ZINC000826337346 607968706 /nfs/dbraw/zinc/96/87/06/607968706.db2.gz LHDJWAFXZOZTFZ-MFKMUULPSA-N -1 3 356.459 3.064 20 0 FGADHM Cc1cc([C@@H](Nc2nnc(C)c(C)c2-c2nnn[n-]2)C2CC2)ccc1F ZINC000826262349 607968720 /nfs/dbraw/zinc/96/87/20/607968720.db2.gz MJOCBAUGOBYCAI-INIZCTEOSA-N -1 3 353.405 3.284 20 0 FGADHM Cc1cc([C@@H](Nc2nnc(C)c(C)c2-c2nn[n-]n2)C2CC2)ccc1F ZINC000826262349 607968721 /nfs/dbraw/zinc/96/87/21/607968721.db2.gz MJOCBAUGOBYCAI-INIZCTEOSA-N -1 3 353.405 3.284 20 0 FGADHM C=Cc1cc(OC)c(OCc2ccc(OC)c(-c3nnn[n-]3)c2)c(OC)c1 ZINC000823937190 607972307 /nfs/dbraw/zinc/97/23/07/607972307.db2.gz LWYMJCPOUACJEK-UHFFFAOYSA-N -1 3 368.393 3.115 20 0 FGADHM C=Cc1cc(OC)c(OCc2ccc(OC)c(-c3nn[n-]n3)c2)c(OC)c1 ZINC000823937190 607972308 /nfs/dbraw/zinc/97/23/08/607972308.db2.gz LWYMJCPOUACJEK-UHFFFAOYSA-N -1 3 368.393 3.115 20 0 FGADHM COc1cc(C(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)ccc1Cl ZINC000826177604 607979491 /nfs/dbraw/zinc/97/94/91/607979491.db2.gz OKRILAXMJPNODY-UHFFFAOYSA-N -1 3 362.748 3.025 20 0 FGADHM COc1cc(C(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)ccc1Cl ZINC000826177604 607979492 /nfs/dbraw/zinc/97/94/92/607979492.db2.gz OKRILAXMJPNODY-UHFFFAOYSA-N -1 3 362.748 3.025 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(C2CCCCC2)[nH]n1 ZINC000826278505 607980865 /nfs/dbraw/zinc/98/08/65/607980865.db2.gz GQFKCFQHOQJZTH-UHFFFAOYSA-N -1 3 351.414 3.198 20 0 FGADHM CC(C)(C)C1=CCN(C(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824071980 608003591 /nfs/dbraw/zinc/00/35/91/608003591.db2.gz PKSQNZGSNNNBED-UHFFFAOYSA-N -1 3 369.469 3.229 20 0 FGADHM CC(C)(C)C1=CCN(C(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824071980 608003592 /nfs/dbraw/zinc/00/35/92/608003592.db2.gz PKSQNZGSNNNBED-UHFFFAOYSA-N -1 3 369.469 3.229 20 0 FGADHM C[C@@H](OC(=O)c1ccnc(OC2CCC2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824724183 608014789 /nfs/dbraw/zinc/01/47/89/608014789.db2.gz ZEEBOLHJEJKCTN-GFCCVEGCSA-N -1 3 365.393 3.111 20 0 FGADHM C[C@@H](OC(=O)c1ccnc(OC2CCC2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824724183 608014790 /nfs/dbraw/zinc/01/47/90/608014790.db2.gz ZEEBOLHJEJKCTN-GFCCVEGCSA-N -1 3 365.393 3.111 20 0 FGADHM CC(C)Cn1ncc(Nc2ncc(-c3nnn[n-]3)cc2Cl)c1C(F)F ZINC000824284703 608017407 /nfs/dbraw/zinc/01/74/07/608017407.db2.gz NGNIDEVMXHBFLA-UHFFFAOYSA-N -1 3 368.779 3.449 20 0 FGADHM CC(C)Cn1ncc(Nc2ncc(-c3nn[n-]n3)cc2Cl)c1C(F)F ZINC000824284703 608017408 /nfs/dbraw/zinc/01/74/08/608017408.db2.gz NGNIDEVMXHBFLA-UHFFFAOYSA-N -1 3 368.779 3.449 20 0 FGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1scnc1C1CC1 ZINC000824293480 608024925 /nfs/dbraw/zinc/02/49/25/608024925.db2.gz NNVUWHQMNSHZGM-UHFFFAOYSA-N -1 3 368.466 3.251 20 0 FGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1scnc1C1CC1 ZINC000824293480 608024926 /nfs/dbraw/zinc/02/49/26/608024926.db2.gz NNVUWHQMNSHZGM-UHFFFAOYSA-N -1 3 368.466 3.251 20 0 FGADHM CN(C(=O)CCc1ccc(-c2nnn[n-]2)cc1)c1cccc2ncccc21 ZINC000825817185 608029796 /nfs/dbraw/zinc/02/97/96/608029796.db2.gz FLLCDSTVCHDKCT-UHFFFAOYSA-N -1 3 358.405 3.011 20 0 FGADHM CN(C(=O)CCc1ccc(-c2nn[n-]n2)cc1)c1cccc2ncccc21 ZINC000825817185 608029797 /nfs/dbraw/zinc/02/97/97/608029797.db2.gz FLLCDSTVCHDKCT-UHFFFAOYSA-N -1 3 358.405 3.011 20 0 FGADHM C[C@H](OC(=O)c1cnc([C@H]2CCCO2)s1)c1cccc(-c2nnn[n-]2)c1 ZINC000824723571 608039357 /nfs/dbraw/zinc/03/93/57/608039357.db2.gz SCFCNCHHANXJDR-GXFFZTMASA-N -1 3 371.422 3.093 20 0 FGADHM C[C@H](OC(=O)c1cnc([C@H]2CCCO2)s1)c1cccc(-c2nn[n-]n2)c1 ZINC000824723571 608039358 /nfs/dbraw/zinc/03/93/58/608039358.db2.gz SCFCNCHHANXJDR-GXFFZTMASA-N -1 3 371.422 3.093 20 0 FGADHM Brc1cc(-c2nn[n-]n2)ccc1NCCOC1CCCC1 ZINC000823826512 608048470 /nfs/dbraw/zinc/04/84/70/608048470.db2.gz KJOFZQLVKJTKDP-UHFFFAOYSA-N -1 3 352.236 3.000 20 0 FGADHM Brc1cc(-c2nn[n-]n2)ccc1N[C@@H]1CCOC2(CCC2)C1 ZINC000823826650 608050935 /nfs/dbraw/zinc/05/09/35/608050935.db2.gz MCWBNGBHLBAEKH-LLVKDONJSA-N -1 3 364.247 3.143 20 0 FGADHM CC(C)Cc1ccc([C@@H](C)C(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000677764337 608053860 /nfs/dbraw/zinc/05/38/60/608053860.db2.gz PMCNVZFJJSUGMM-OAHLLOKOSA-N -1 3 363.465 3.485 20 0 FGADHM CC(C)Cc1ccc([C@@H](C)C(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000677764337 608053861 /nfs/dbraw/zinc/05/38/61/608053861.db2.gz PMCNVZFJJSUGMM-OAHLLOKOSA-N -1 3 363.465 3.485 20 0 FGADHM C[C@H]1C[C@H]1NC(=O)c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000824901059 608057900 /nfs/dbraw/zinc/05/79/00/608057900.db2.gz XOFMSBHEBXSBBU-IINYFYTJSA-N -1 3 369.812 3.451 20 0 FGADHM C[C@H]1C[C@H]1NC(=O)c1ccc(Oc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000824901059 608057901 /nfs/dbraw/zinc/05/79/01/608057901.db2.gz XOFMSBHEBXSBBU-IINYFYTJSA-N -1 3 369.812 3.451 20 0 FGADHM Nc1c(Cl)cc(C(=O)OCc2ccccc2-c2nnn[n-]2)cc1Cl ZINC000826395822 608058507 /nfs/dbraw/zinc/05/85/07/608058507.db2.gz UMYHVDLNLBBDOE-UHFFFAOYSA-N -1 3 364.192 3.113 20 0 FGADHM Nc1c(Cl)cc(C(=O)OCc2ccccc2-c2nn[n-]n2)cc1Cl ZINC000826395822 608058508 /nfs/dbraw/zinc/05/85/08/608058508.db2.gz UMYHVDLNLBBDOE-UHFFFAOYSA-N -1 3 364.192 3.113 20 0 FGADHM O=C(CCCc1cc(F)ccc1F)OCc1ccccc1-c1nnn[n-]1 ZINC000826407068 608059907 /nfs/dbraw/zinc/05/99/07/608059907.db2.gz ZNHRURVVRIWAHW-UHFFFAOYSA-N -1 3 358.348 3.211 20 0 FGADHM O=C(CCCc1cc(F)ccc1F)OCc1ccccc1-c1nn[n-]n1 ZINC000826407068 608059908 /nfs/dbraw/zinc/05/99/08/608059908.db2.gz ZNHRURVVRIWAHW-UHFFFAOYSA-N -1 3 358.348 3.211 20 0 FGADHM CCN(C(=O)c1cccc([C@H]2CCOC2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825385636 608066310 /nfs/dbraw/zinc/06/63/10/608066310.db2.gz ONCNQKIQQGXGCR-KRWDZBQOSA-N -1 3 363.421 3.037 20 0 FGADHM CCN(C(=O)c1cccc([C@H]2CCOC2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825385636 608066311 /nfs/dbraw/zinc/06/63/11/608066311.db2.gz ONCNQKIQQGXGCR-KRWDZBQOSA-N -1 3 363.421 3.037 20 0 FGADHM Fc1ccc2c(c1)[C@@H](N1CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C1)CC2 ZINC000826375984 608067328 /nfs/dbraw/zinc/06/73/28/608067328.db2.gz JQBANUOHDFBCSQ-RBUKOAKNSA-N -1 3 365.412 3.067 20 0 FGADHM Clc1cccc(CN2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)c1 ZINC000826353447 608067394 /nfs/dbraw/zinc/06/73/94/608067394.db2.gz PMXGVVBOYKSSGR-QGZVFWFLSA-N -1 3 355.829 3.094 20 0 FGADHM Clc1cccc(CN2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)c1 ZINC000826353447 608067395 /nfs/dbraw/zinc/06/73/95/608067395.db2.gz PMXGVVBOYKSSGR-QGZVFWFLSA-N -1 3 355.829 3.094 20 0 FGADHM Fc1ccc(CN2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)c(Cl)c1 ZINC000826374868 608071250 /nfs/dbraw/zinc/07/12/50/608071250.db2.gz PEOLWRKWHJIJSE-QGZVFWFLSA-N -1 3 373.819 3.233 20 0 FGADHM Fc1ccc(CN2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)c(Cl)c1 ZINC000826374868 608071251 /nfs/dbraw/zinc/07/12/51/608071251.db2.gz PEOLWRKWHJIJSE-QGZVFWFLSA-N -1 3 373.819 3.233 20 0 FGADHM COc1ccc2oc(C(=O)OCc3ccc(-c4nnn[n-]4)cc3)c(C)c2c1 ZINC000826213665 608087147 /nfs/dbraw/zinc/08/71/47/608087147.db2.gz GJJCKXKGBUSLJJ-UHFFFAOYSA-N -1 3 364.361 3.287 20 0 FGADHM COc1ccc2oc(C(=O)OCc3ccc(-c4nn[n-]n4)cc3)c(C)c2c1 ZINC000826213665 608087148 /nfs/dbraw/zinc/08/71/48/608087148.db2.gz GJJCKXKGBUSLJJ-UHFFFAOYSA-N -1 3 364.361 3.287 20 0 FGADHM C[C@H]1CCc2ccccc2[C@@H]1NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000824968517 608102667 /nfs/dbraw/zinc/10/26/67/608102667.db2.gz QEXAMSDOBHQFKV-DYZYQPBXSA-N -1 3 369.375 3.198 20 0 FGADHM C[C@H]1CCc2ccccc2[C@@H]1NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000824968517 608102668 /nfs/dbraw/zinc/10/26/68/608102668.db2.gz QEXAMSDOBHQFKV-DYZYQPBXSA-N -1 3 369.375 3.198 20 0 FGADHM COc1ccc(Cn2ccc(-c3ccc(-c4nnn[n-]4)cc3)n2)cc1Cl ZINC000826208588 608110206 /nfs/dbraw/zinc/11/02/06/608110206.db2.gz QYNKLDYXLSLNNT-UHFFFAOYSA-N -1 3 366.812 3.441 20 0 FGADHM COc1ccc(Cn2ccc(-c3ccc(-c4nn[n-]n4)cc3)n2)cc1Cl ZINC000826208588 608110207 /nfs/dbraw/zinc/11/02/07/608110207.db2.gz QYNKLDYXLSLNNT-UHFFFAOYSA-N -1 3 366.812 3.441 20 0 FGADHM C[C@H](NC(=O)c1cc(F)c(Cl)cc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000824514003 608114253 /nfs/dbraw/zinc/11/42/53/608114253.db2.gz LKCSNRYZCGLEFU-QMMMGPOBSA-N -1 3 363.755 3.289 20 0 FGADHM C[C@H](NC(=O)c1cc(F)c(Cl)cc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000824514003 608114254 /nfs/dbraw/zinc/11/42/54/608114254.db2.gz LKCSNRYZCGLEFU-QMMMGPOBSA-N -1 3 363.755 3.289 20 0 FGADHM CCCCNc1ccccc1C(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000825291649 608115405 /nfs/dbraw/zinc/11/54/05/608115405.db2.gz WMPMKEQYSXEYMD-UHFFFAOYSA-N -1 3 364.453 3.351 20 0 FGADHM CCCCNc1ccccc1C(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000825291649 608115406 /nfs/dbraw/zinc/11/54/06/608115406.db2.gz WMPMKEQYSXEYMD-UHFFFAOYSA-N -1 3 364.453 3.351 20 0 FGADHM Cc1cccc([C@H]2CCN(C(=O)c3c(F)cc(-c4nnn[n-]4)cc3F)C2)c1 ZINC000826298013 608129924 /nfs/dbraw/zinc/12/99/24/608129924.db2.gz ZIMGFQCUNRMIDB-ZDUSSCGKSA-N -1 3 369.375 3.083 20 0 FGADHM Cc1cccc([C@H]2CCN(C(=O)c3c(F)cc(-c4nn[n-]n4)cc3F)C2)c1 ZINC000826298013 608129925 /nfs/dbraw/zinc/12/99/25/608129925.db2.gz ZIMGFQCUNRMIDB-ZDUSSCGKSA-N -1 3 369.375 3.083 20 0 FGADHM Cn1cc(CNCc2ccc(-c3nn[n-]n3)cc2F)c(C2CCCCC2)n1 ZINC000826361865 608130600 /nfs/dbraw/zinc/13/06/00/608130600.db2.gz SNAYVKFLRULUHD-UHFFFAOYSA-N -1 3 369.448 3.077 20 0 FGADHM CCOC(=O)Nc1cccc(OCc2cc(-c3nnn[n-]3)ccc2OC)c1 ZINC000825553705 608150276 /nfs/dbraw/zinc/15/02/76/608150276.db2.gz UYTODJKGHDAPSU-UHFFFAOYSA-N -1 3 369.381 3.023 20 0 FGADHM CCOC(=O)Nc1cccc(OCc2cc(-c3nn[n-]n3)ccc2OC)c1 ZINC000825553705 608150278 /nfs/dbraw/zinc/15/02/78/608150278.db2.gz UYTODJKGHDAPSU-UHFFFAOYSA-N -1 3 369.381 3.023 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1ncccc1C(F)(F)F ZINC000826452959 608162606 /nfs/dbraw/zinc/16/26/06/608162606.db2.gz PJQAHZWHVHVTCR-UHFFFAOYSA-N -1 3 368.706 3.186 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1ncccc1C(F)(F)F ZINC000826452959 608162607 /nfs/dbraw/zinc/16/26/07/608162607.db2.gz PJQAHZWHVHVTCR-UHFFFAOYSA-N -1 3 368.706 3.186 20 0 FGADHM Cc1cccc(C2=CCN(C(=O)NCc3cccc(-c4nnn[n-]4)c3)CC2)c1 ZINC000826297323 608162644 /nfs/dbraw/zinc/16/26/44/608162644.db2.gz BVRWPKZLIGNHJO-UHFFFAOYSA-N -1 3 374.448 3.174 20 0 FGADHM Cc1cccc(C2=CCN(C(=O)NCc3cccc(-c4nn[n-]n4)c3)CC2)c1 ZINC000826297323 608162645 /nfs/dbraw/zinc/16/26/45/608162645.db2.gz BVRWPKZLIGNHJO-UHFFFAOYSA-N -1 3 374.448 3.174 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)[C@@H](C)c1c(F)cccc1F ZINC000826252729 608164467 /nfs/dbraw/zinc/16/44/67/608164467.db2.gz PKYQRZSLDAKQIY-NSHDSACASA-N -1 3 358.348 3.300 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)[C@@H](C)c1c(F)cccc1F ZINC000826252729 608164469 /nfs/dbraw/zinc/16/44/69/608164469.db2.gz PKYQRZSLDAKQIY-NSHDSACASA-N -1 3 358.348 3.300 20 0 FGADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)C(C)(C)CC(C)C ZINC000825788044 608173916 /nfs/dbraw/zinc/17/39/16/608173916.db2.gz NLPOSLGRVHAKAH-UHFFFAOYSA-N -1 3 355.446 3.247 20 0 FGADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)C(C)(C)CC(C)C ZINC000825788044 608173918 /nfs/dbraw/zinc/17/39/18/608173918.db2.gz NLPOSLGRVHAKAH-UHFFFAOYSA-N -1 3 355.446 3.247 20 0 FGADHM Cc1ccc(O[C@H](C)C(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826292211 608185975 /nfs/dbraw/zinc/18/59/75/608185975.db2.gz LRNCOGZFWQOPFX-ZIAGYGMSSA-N -1 3 352.394 3.247 20 0 FGADHM Cc1ccc(O[C@H](C)C(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826292211 608185976 /nfs/dbraw/zinc/18/59/76/608185976.db2.gz LRNCOGZFWQOPFX-ZIAGYGMSSA-N -1 3 352.394 3.247 20 0 FGADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)O[C@H](C)c1ccco1 ZINC000824206694 608187772 /nfs/dbraw/zinc/18/77/72/608187772.db2.gz GRRWIRAEWRWBIO-MLGOLLRUSA-N -1 3 356.382 3.168 20 0 FGADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)O[C@H](C)c1ccco1 ZINC000824206694 608187773 /nfs/dbraw/zinc/18/77/73/608187773.db2.gz GRRWIRAEWRWBIO-MLGOLLRUSA-N -1 3 356.382 3.168 20 0 FGADHM CC[C@@H](C)[C@@H](O)C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000825059221 608194642 /nfs/dbraw/zinc/19/46/42/608194642.db2.gz DDDVBYOCKGYXDR-SJKOYZFVSA-N -1 3 367.409 3.005 20 0 FGADHM CC[C@@H](C)[C@@H](O)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825059221 608194643 /nfs/dbraw/zinc/19/46/43/608194643.db2.gz DDDVBYOCKGYXDR-SJKOYZFVSA-N -1 3 367.409 3.005 20 0 FGADHM c1cn(-c2ccccc2)nc1CNc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000826520068 608224483 /nfs/dbraw/zinc/22/44/83/608224483.db2.gz ZKDSXNBFRPPANR-UHFFFAOYSA-N -1 3 368.404 3.213 20 0 FGADHM c1cn(-c2ccccc2)nc1CNc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000826520068 608224484 /nfs/dbraw/zinc/22/44/84/608224484.db2.gz ZKDSXNBFRPPANR-UHFFFAOYSA-N -1 3 368.404 3.213 20 0 FGADHM c1ccc2c(c1)OCC[C@H]2CNc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000826523887 608227942 /nfs/dbraw/zinc/22/79/42/608227942.db2.gz BBKLTZRIQRVPQD-HNNXBMFYSA-N -1 3 358.405 3.393 20 0 FGADHM c1ccc2c(c1)OCC[C@H]2CNc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000826523887 608227944 /nfs/dbraw/zinc/22/79/44/608227944.db2.gz BBKLTZRIQRVPQD-HNNXBMFYSA-N -1 3 358.405 3.393 20 0 FGADHM O[C@H](CNc1ccc2cc(-c3nnn[n-]3)ccc2n1)c1ccccc1Cl ZINC000826503815 608230821 /nfs/dbraw/zinc/23/08/21/608230821.db2.gz GZJLJIPLWVQUTN-MRXNPFEDSA-N -1 3 366.812 3.214 20 0 FGADHM O[C@H](CNc1ccc2cc(-c3nn[n-]n3)ccc2n1)c1ccccc1Cl ZINC000826503815 608230823 /nfs/dbraw/zinc/23/08/23/608230823.db2.gz GZJLJIPLWVQUTN-MRXNPFEDSA-N -1 3 366.812 3.214 20 0 FGADHM CCC1(O)CCC(Nc2ccc(C(F)(F)F)cc2-c2nnn[n-]2)CC1 ZINC000825176135 608238757 /nfs/dbraw/zinc/23/87/57/608238757.db2.gz HLICCACYYFJWHS-UHFFFAOYSA-N -1 3 355.364 3.381 20 0 FGADHM CCC1(O)CCC(Nc2ccc(C(F)(F)F)cc2-c2nn[n-]n2)CC1 ZINC000825176135 608238758 /nfs/dbraw/zinc/23/87/58/608238758.db2.gz HLICCACYYFJWHS-UHFFFAOYSA-N -1 3 355.364 3.381 20 0 FGADHM CC(C)[C@@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)cc2Br)CCO1 ZINC000824215235 608242268 /nfs/dbraw/zinc/24/22/68/608242268.db2.gz JQYWFBSVQZFSFN-RISCZKNCSA-N -1 3 366.263 3.245 20 0 FGADHM O=C(OCc1cn2ccccc2c1-c1nnn[n-]1)[C@H](c1ccccc1)C1CC1 ZINC000826467299 608254505 /nfs/dbraw/zinc/25/45/05/608254505.db2.gz PRZXDFRABIOOFW-GOSISDBHSA-N -1 3 373.416 3.356 20 0 FGADHM O=C(OCc1cn2ccccc2c1-c1nn[n-]n1)[C@H](c1ccccc1)C1CC1 ZINC000826467299 608254507 /nfs/dbraw/zinc/25/45/07/608254507.db2.gz PRZXDFRABIOOFW-GOSISDBHSA-N -1 3 373.416 3.356 20 0 FGADHM C[C@H](C(=O)Oc1ccc(-c2nnn[n-]2)cc1)c1ccc(Br)cc1 ZINC000824053469 608259698 /nfs/dbraw/zinc/25/96/98/608259698.db2.gz ZIORKTRLXLLJQK-JTQLQIEISA-N -1 3 373.210 3.338 20 0 FGADHM C[C@H](C(=O)Oc1ccc(-c2nn[n-]n2)cc1)c1ccc(Br)cc1 ZINC000824053469 608259700 /nfs/dbraw/zinc/25/97/00/608259700.db2.gz ZIORKTRLXLLJQK-JTQLQIEISA-N -1 3 373.210 3.338 20 0 FGADHM Cc1ccc(F)c(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)c1F ZINC000826289415 608267391 /nfs/dbraw/zinc/26/73/91/608267391.db2.gz ZANGDIZGJJZGHR-UHFFFAOYSA-N -1 3 369.375 3.258 20 0 FGADHM Cc1ccc(F)c(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)c1F ZINC000826289415 608267393 /nfs/dbraw/zinc/26/73/93/608267393.db2.gz ZANGDIZGJJZGHR-UHFFFAOYSA-N -1 3 369.375 3.258 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)c(NCc2csc(Br)c2)n1 ZINC000826276918 608274840 /nfs/dbraw/zinc/27/48/40/608274840.db2.gz CSQZCDGYPGIFIY-UHFFFAOYSA-N -1 3 351.233 3.006 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)c(NCc2csc(Br)c2)n1 ZINC000826276918 608274842 /nfs/dbraw/zinc/27/48/42/608274842.db2.gz CSQZCDGYPGIFIY-UHFFFAOYSA-N -1 3 351.233 3.006 20 0 FGADHM CCOc1ccc(CNc2nc3c(cc2-c2nnn[n-]2)CCCC3)cc1 ZINC000825638389 608278524 /nfs/dbraw/zinc/27/85/24/608278524.db2.gz KQGWHDALFJJZPJ-UHFFFAOYSA-N -1 3 350.426 3.151 20 0 FGADHM CCOc1ccc(CNc2nc3c(cc2-c2nn[n-]n2)CCCC3)cc1 ZINC000825638389 608278526 /nfs/dbraw/zinc/27/85/26/608278526.db2.gz KQGWHDALFJJZPJ-UHFFFAOYSA-N -1 3 350.426 3.151 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)c(NC[C@@H]2CCCO[C@H]2c2ccccc2)n1 ZINC000826276245 608278838 /nfs/dbraw/zinc/27/88/38/608278838.db2.gz YKURSLFFLMBDGY-RDJZCZTQSA-N -1 3 350.426 3.150 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)c(NC[C@@H]2CCCO[C@H]2c2ccccc2)n1 ZINC000826276245 608278839 /nfs/dbraw/zinc/27/88/39/608278839.db2.gz YKURSLFFLMBDGY-RDJZCZTQSA-N -1 3 350.426 3.150 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)Cc1c(C)cc(C)cc1C ZINC000825621360 608299494 /nfs/dbraw/zinc/29/94/94/608299494.db2.gz QTTCCASJMLJRRJ-UHFFFAOYSA-N -1 3 365.437 3.372 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)Cc1c(C)cc(C)cc1C ZINC000825621360 608299495 /nfs/dbraw/zinc/29/94/95/608299495.db2.gz QTTCCASJMLJRRJ-UHFFFAOYSA-N -1 3 365.437 3.372 20 0 FGADHM CC(C)(C)[C@H]1C[C@H](Nc2nc3c(cc2-c2nnn[n-]2)CCCC3)CCO1 ZINC000824079356 608300995 /nfs/dbraw/zinc/30/09/95/608300995.db2.gz OYHFJXHCAUJWES-CZUORRHYSA-N -1 3 356.474 3.146 20 0 FGADHM CC(C)(C)[C@H]1C[C@H](Nc2nc3c(cc2-c2nn[n-]n2)CCCC3)CCO1 ZINC000824079356 608300996 /nfs/dbraw/zinc/30/09/96/608300996.db2.gz OYHFJXHCAUJWES-CZUORRHYSA-N -1 3 356.474 3.146 20 0 FGADHM CCc1ocnc1C(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000825776800 608305552 /nfs/dbraw/zinc/30/55/52/608305552.db2.gz KVRKJGCVLDGKMF-UHFFFAOYSA-N -1 3 374.404 3.014 20 0 FGADHM CCc1ocnc1C(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000825776800 608305554 /nfs/dbraw/zinc/30/55/54/608305554.db2.gz KVRKJGCVLDGKMF-UHFFFAOYSA-N -1 3 374.404 3.014 20 0 FGADHM Cc1cccc(C(=O)NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)n1 ZINC000826296160 608305712 /nfs/dbraw/zinc/30/57/12/608305712.db2.gz LGRRDLYEVIVIHN-UHFFFAOYSA-N -1 3 370.416 3.167 20 0 FGADHM Cc1cccc(C(=O)NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)n1 ZINC000826296160 608305714 /nfs/dbraw/zinc/30/57/14/608305714.db2.gz LGRRDLYEVIVIHN-UHFFFAOYSA-N -1 3 370.416 3.167 20 0 FGADHM CSc1cc(C(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)ccc1F ZINC000826229338 608309820 /nfs/dbraw/zinc/30/98/20/608309820.db2.gz ANIOHBQKTOITII-UHFFFAOYSA-N -1 3 369.425 3.147 20 0 FGADHM CSc1cc(C(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)ccc1F ZINC000826229338 608309821 /nfs/dbraw/zinc/30/98/21/608309821.db2.gz ANIOHBQKTOITII-UHFFFAOYSA-N -1 3 369.425 3.147 20 0 FGADHM CCCN1C(=O)CCc2cc(NCc3ccc(-c4nnn[n-]4)s3)ccc21 ZINC000825326385 608311439 /nfs/dbraw/zinc/31/14/39/608311439.db2.gz CPOUBQUOJSAFPM-UHFFFAOYSA-N -1 3 368.466 3.230 20 0 FGADHM C[C@@H](NC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1)c1cccc(F)c1F ZINC000824490884 608314145 /nfs/dbraw/zinc/31/41/45/608314145.db2.gz QUOIYRAIGDSXON-LLVKDONJSA-N -1 3 372.379 3.048 20 0 FGADHM C[C@@H](NC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1)c1cccc(F)c1F ZINC000824490884 608314146 /nfs/dbraw/zinc/31/41/46/608314146.db2.gz QUOIYRAIGDSXON-LLVKDONJSA-N -1 3 372.379 3.048 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)Cc1cccc2ccccc21 ZINC000826171969 608345736 /nfs/dbraw/zinc/34/57/36/608345736.db2.gz HJVWIYPXAMWJDV-UHFFFAOYSA-N -1 3 374.400 3.314 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)Cc1cccc2ccccc21 ZINC000826171969 608345738 /nfs/dbraw/zinc/34/57/38/608345738.db2.gz HJVWIYPXAMWJDV-UHFFFAOYSA-N -1 3 374.400 3.314 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)CCc1cccc(Cl)c1 ZINC000826171072 608346534 /nfs/dbraw/zinc/34/65/34/608346534.db2.gz AROJXPLHUXEBQA-UHFFFAOYSA-N -1 3 372.812 3.205 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)CCc1cccc(Cl)c1 ZINC000826171072 608346535 /nfs/dbraw/zinc/34/65/35/608346535.db2.gz AROJXPLHUXEBQA-UHFFFAOYSA-N -1 3 372.812 3.205 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)C(C)(C)c1ccc(F)cc1 ZINC000826170758 608350442 /nfs/dbraw/zinc/35/04/42/608350442.db2.gz OSCJGLFIOGBHLD-UHFFFAOYSA-N -1 3 370.384 3.035 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)C(C)(C)c1ccc(F)cc1 ZINC000826170758 608350444 /nfs/dbraw/zinc/35/04/44/608350444.db2.gz OSCJGLFIOGBHLD-UHFFFAOYSA-N -1 3 370.384 3.035 20 0 FGADHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(N3CCC[C@H](c4cc[nH]n4)C3)c2c1 ZINC000826263838 608371126 /nfs/dbraw/zinc/37/11/26/608371126.db2.gz SHBPGHXBGOCOER-AWEZNQCLSA-N -1 3 374.452 3.139 20 0 FGADHM Fc1c(Cn2c3ccccc3nc2C(F)(F)F)cccc1-c1nnn[n-]1 ZINC000826371381 608396945 /nfs/dbraw/zinc/39/69/45/608396945.db2.gz DQRSSOMEXDBNQC-UHFFFAOYSA-N -1 3 362.290 3.423 20 0 FGADHM Fc1c(Cn2c3ccccc3nc2C(F)(F)F)cccc1-c1nn[n-]n1 ZINC000826371381 608396947 /nfs/dbraw/zinc/39/69/47/608396947.db2.gz DQRSSOMEXDBNQC-UHFFFAOYSA-N -1 3 362.290 3.423 20 0 FGADHM Fc1c(CN[C@@H](c2nccs2)c2ccccc2)cccc1-c1nnn[n-]1 ZINC000826371209 608402854 /nfs/dbraw/zinc/40/28/54/608402854.db2.gz XFIXZAVRBBVGJZ-MRXNPFEDSA-N -1 3 366.425 3.342 20 0 FGADHM Fc1c(CN[C@@H](c2nccs2)c2ccccc2)cccc1-c1nn[n-]n1 ZINC000826371209 608402855 /nfs/dbraw/zinc/40/28/55/608402855.db2.gz XFIXZAVRBBVGJZ-MRXNPFEDSA-N -1 3 366.425 3.342 20 0 FGADHM O=C(Cc1cccc2ccccc21)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826423640 608435696 /nfs/dbraw/zinc/43/56/96/608435696.db2.gz YXFDASUTEDLVAB-UHFFFAOYSA-N -1 3 362.364 3.445 20 0 FGADHM O=C(Cc1cccc2ccccc21)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826423640 608435697 /nfs/dbraw/zinc/43/56/97/608435697.db2.gz YXFDASUTEDLVAB-UHFFFAOYSA-N -1 3 362.364 3.445 20 0 FGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)[C@@H]1CCSc2ccccc21 ZINC000826466200 608450526 /nfs/dbraw/zinc/45/05/26/608450526.db2.gz SGRCZSVREMYPTN-CYBMUJFWSA-N -1 3 370.409 3.329 20 0 FGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)[C@@H]1CCSc2ccccc21 ZINC000826466200 608450527 /nfs/dbraw/zinc/45/05/27/608450527.db2.gz SGRCZSVREMYPTN-CYBMUJFWSA-N -1 3 370.409 3.329 20 0 FGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)c1cc2cccc(F)c2o1 ZINC000826466750 608450774 /nfs/dbraw/zinc/45/07/74/608450774.db2.gz ROXLVDZYJIRFCF-UHFFFAOYSA-N -1 3 356.288 3.248 20 0 FGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)c1cc2cccc(F)c2o1 ZINC000826466750 608450775 /nfs/dbraw/zinc/45/07/75/608450775.db2.gz ROXLVDZYJIRFCF-UHFFFAOYSA-N -1 3 356.288 3.248 20 0 FGADHM Cc1ccc(CCCC(=O)OCc2cccc(-c3nnn[n-]3)c2F)s1 ZINC000826287248 608451445 /nfs/dbraw/zinc/45/14/45/608451445.db2.gz IJTOOQLRYBRMAU-UHFFFAOYSA-N -1 3 360.414 3.442 20 0 FGADHM Cc1ccc(CCCC(=O)OCc2cccc(-c3nn[n-]n3)c2F)s1 ZINC000826287248 608451447 /nfs/dbraw/zinc/45/14/47/608451447.db2.gz IJTOOQLRYBRMAU-UHFFFAOYSA-N -1 3 360.414 3.442 20 0 FGADHM CC(C)(C)c1cnc(CN2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)o1 ZINC000824137203 608461498 /nfs/dbraw/zinc/46/14/98/608461498.db2.gz YLUVNZRUJBROFR-UHFFFAOYSA-N -1 3 364.453 3.442 20 0 FGADHM CC(C)(C)c1cnc(CN2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)o1 ZINC000824137203 608461499 /nfs/dbraw/zinc/46/14/99/608461499.db2.gz YLUVNZRUJBROFR-UHFFFAOYSA-N -1 3 364.453 3.442 20 0 FGADHM C[C@H](OC(=O)c1cnn(C)c1-c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824724055 608472844 /nfs/dbraw/zinc/47/28/44/608472844.db2.gz XTIMOBJEFCZJJZ-ZDUSSCGKSA-N -1 3 374.404 3.185 20 0 FGADHM C[C@H](OC(=O)c1cnn(C)c1-c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824724055 608472846 /nfs/dbraw/zinc/47/28/46/608472846.db2.gz XTIMOBJEFCZJJZ-ZDUSSCGKSA-N -1 3 374.404 3.185 20 0 FGADHM Cc1cc(F)ccc1C(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826268170 608482054 /nfs/dbraw/zinc/48/20/54/608482054.db2.gz MYXUVFBKHDXFAI-UHFFFAOYSA-N -1 3 363.396 3.244 20 0 FGADHM Cc1cc(F)ccc1C(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826268170 608482057 /nfs/dbraw/zinc/48/20/57/608482057.db2.gz MYXUVFBKHDXFAI-UHFFFAOYSA-N -1 3 363.396 3.244 20 0 FGADHM O=C(C=Cc1cccs1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826403590 608485712 /nfs/dbraw/zinc/48/57/12/608485712.db2.gz WWFWBQYILWSGNX-BQYQJAHWSA-N -1 3 363.446 3.257 20 0 FGADHM O=C(C=Cc1cccs1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826403590 608485713 /nfs/dbraw/zinc/48/57/13/608485713.db2.gz WWFWBQYILWSGNX-BQYQJAHWSA-N -1 3 363.446 3.257 20 0 FGADHM Cc1sc(NC(=O)c2cc(F)cc3cccnc32)c(-c2nnn[n-]2)c1C ZINC000826349769 608495139 /nfs/dbraw/zinc/49/51/39/608495139.db2.gz UGSXIETZONTUCD-UHFFFAOYSA-N -1 3 368.397 3.485 20 0 FGADHM Cc1sc(NC(=O)c2cc(F)cc3cccnc32)c(-c2nn[n-]n2)c1C ZINC000826349769 608495140 /nfs/dbraw/zinc/49/51/40/608495140.db2.gz UGSXIETZONTUCD-UHFFFAOYSA-N -1 3 368.397 3.485 20 0 FGADHM CC[C@H](NCc1ccc(-c2nn[n-]n2)cc1OC)c1cc(F)ccc1F ZINC000825140959 608536520 /nfs/dbraw/zinc/53/65/20/608536520.db2.gz MCGDJZYEXRVMOW-INIZCTEOSA-N -1 3 359.380 3.394 20 0 FGADHM Brc1ccccc1OCCNc1cccc(-c2nnn[n-]2)c1 ZINC000823832722 608541804 /nfs/dbraw/zinc/54/18/04/608541804.db2.gz UJOVCCJWUIATTP-UHFFFAOYSA-N -1 3 360.215 3.120 20 0 FGADHM Brc1ccccc1OCCNc1cccc(-c2nn[n-]n2)c1 ZINC000823832722 608541806 /nfs/dbraw/zinc/54/18/06/608541806.db2.gz UJOVCCJWUIATTP-UHFFFAOYSA-N -1 3 360.215 3.120 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)c(NCc2cccc(C(=O)OC(C)(C)C)c2)n1 ZINC000826276692 608585750 /nfs/dbraw/zinc/58/57/50/608585750.db2.gz RUNKSNTXWIOUJH-UHFFFAOYSA-N -1 3 366.425 3.138 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)c(NCc2cccc(C(=O)OC(C)(C)C)c2)n1 ZINC000826276692 608585752 /nfs/dbraw/zinc/58/57/52/608585752.db2.gz RUNKSNTXWIOUJH-UHFFFAOYSA-N -1 3 366.425 3.138 20 0 FGADHM CCc1nnc(Nc2cc(C)n([C@H](C)CC)n2)c(-c2nnn[n-]2)c1CC ZINC000825771798 608587290 /nfs/dbraw/zinc/58/72/90/608587290.db2.gz SBNPQPPISNZRRR-SNVBAGLBSA-N -1 3 355.450 3.001 20 0 FGADHM CCc1nnc(Nc2cc(C)n([C@H](C)CC)n2)c(-c2nn[n-]n2)c1CC ZINC000825771798 608587291 /nfs/dbraw/zinc/58/72/91/608587291.db2.gz SBNPQPPISNZRRR-SNVBAGLBSA-N -1 3 355.450 3.001 20 0 FGADHM Cc1cccc(NC(=O)[C@@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)c1F ZINC000826298735 608591640 /nfs/dbraw/zinc/59/16/40/608591640.db2.gz FXTUQTIUXJFGQW-KRWDZBQOSA-N -1 3 369.400 3.356 20 0 FGADHM Cc1cccc(NC(=O)[C@@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)c1F ZINC000826298735 608591641 /nfs/dbraw/zinc/59/16/41/608591641.db2.gz FXTUQTIUXJFGQW-KRWDZBQOSA-N -1 3 369.400 3.356 20 0 FGADHM COc1ccccc1CN(Cc1cccc(-c2nnn[n-]2)c1F)C1CC1 ZINC000826219557 608644727 /nfs/dbraw/zinc/64/47/27/608644727.db2.gz HGUBQJAQHOICJY-UHFFFAOYSA-N -1 3 353.401 3.179 20 0 FGADHM COc1ccccc1CN(Cc1cccc(-c2nn[n-]n2)c1F)C1CC1 ZINC000826219557 608644728 /nfs/dbraw/zinc/64/47/28/608644728.db2.gz HGUBQJAQHOICJY-UHFFFAOYSA-N -1 3 353.401 3.179 20 0 FGADHM CCc1cc(=O)oc2cc(OCc3cccc(-c4nnn[n-]4)c3F)ccc12 ZINC000825694532 608668336 /nfs/dbraw/zinc/66/83/36/608668336.db2.gz SDGRFKHOJJSHMX-UHFFFAOYSA-N -1 3 366.352 3.254 20 0 FGADHM CCc1cc(=O)oc2cc(OCc3cccc(-c4nn[n-]n4)c3F)ccc12 ZINC000825694532 608668338 /nfs/dbraw/zinc/66/83/38/608668338.db2.gz SDGRFKHOJJSHMX-UHFFFAOYSA-N -1 3 366.352 3.254 20 0 FGADHM Fc1c(CSc2nnc(Cc3cccs3)o2)cccc1-c1nnn[n-]1 ZINC000826371549 608672302 /nfs/dbraw/zinc/67/23/02/608672302.db2.gz KTLCMHXWPFEGQM-UHFFFAOYSA-N -1 3 374.426 3.333 20 0 FGADHM Fc1c(CSc2nnc(Cc3cccs3)o2)cccc1-c1nn[n-]n1 ZINC000826371549 608672306 /nfs/dbraw/zinc/67/23/06/608672306.db2.gz KTLCMHXWPFEGQM-UHFFFAOYSA-N -1 3 374.426 3.333 20 0 FGADHM CCN(CC(=O)Nc1c(C)cccc1C)Cc1cc(-c2nnn[n-]2)cs1 ZINC000825395097 608727885 /nfs/dbraw/zinc/72/78/85/608727885.db2.gz KNKKIQLZXLVHHR-UHFFFAOYSA-N -1 3 370.482 3.006 20 0 FGADHM CCN(CC(=O)Nc1c(C)cccc1C)Cc1cc(-c2nn[n-]n2)cs1 ZINC000825395097 608727887 /nfs/dbraw/zinc/72/78/87/608727887.db2.gz KNKKIQLZXLVHHR-UHFFFAOYSA-N -1 3 370.482 3.006 20 0 FGADHM CCc1ccc(NC(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000825711481 608820262 /nfs/dbraw/zinc/82/02/62/608820262.db2.gz CGFMNERXKUHQKG-UHFFFAOYSA-N -1 3 350.426 3.401 20 0 FGADHM CCc1ccc(NC(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000825711481 608820265 /nfs/dbraw/zinc/82/02/65/608820265.db2.gz CGFMNERXKUHQKG-UHFFFAOYSA-N -1 3 350.426 3.401 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1[C@H](C)Cc2cc(F)ccc2[C@H]1C ZINC000826244407 608826339 /nfs/dbraw/zinc/82/63/39/608826339.db2.gz RBHZWZRNBUNMON-CHWSQXEVSA-N -1 3 365.412 3.462 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1[C@H](C)Cc2cc(F)ccc2[C@H]1C ZINC000826244407 608826341 /nfs/dbraw/zinc/82/63/41/608826341.db2.gz RBHZWZRNBUNMON-CHWSQXEVSA-N -1 3 365.412 3.462 20 0 FGADHM C[C@@H]1Cc2cc(F)ccc2[C@@H](C)N1C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000825014465 608828053 /nfs/dbraw/zinc/82/80/53/608828053.db2.gz VXRXVPJTQZTPNV-NXEZZACHSA-N -1 3 357.414 3.215 20 0 FGADHM C[C@@H]1Cc2cc(F)ccc2[C@@H](C)N1C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000825014465 608828054 /nfs/dbraw/zinc/82/80/54/608828054.db2.gz VXRXVPJTQZTPNV-NXEZZACHSA-N -1 3 357.414 3.215 20 0 FGADHM c1cc(COc2ccc(CNc3ccc(-c4nn[n-]n4)cc3)cc2)ccn1 ZINC000826516696 608866375 /nfs/dbraw/zinc/86/63/75/608866375.db2.gz WUEZGABZAFERLF-UHFFFAOYSA-N -1 3 358.405 3.453 20 0 FGADHM C[C@@](NC(=O)c1ccc(-c2nnn[n-]2)cc1)(c1ccccc1)C(F)(F)F ZINC000824513909 608872707 /nfs/dbraw/zinc/87/27/07/608872707.db2.gz JUGAXXYNONBBES-MRXNPFEDSA-N -1 3 361.327 3.074 20 0 FGADHM C[C@@](NC(=O)c1ccc(-c2nn[n-]n2)cc1)(c1ccccc1)C(F)(F)F ZINC000824513909 608872710 /nfs/dbraw/zinc/87/27/10/608872710.db2.gz JUGAXXYNONBBES-MRXNPFEDSA-N -1 3 361.327 3.074 20 0 FGADHM O=C(Nc1ccc2cccc(Cl)c2n1)c1cc(-c2nnn[n-]2)cs1 ZINC000826455178 609139702 /nfs/dbraw/zinc/13/97/02/609139702.db2.gz CLIMZPHXJFZXSC-UHFFFAOYSA-N -1 3 356.798 3.382 20 0 FGADHM O=C(Nc1ccc2cccc(Cl)c2n1)c1cc(-c2nn[n-]n2)cs1 ZINC000826455178 609139705 /nfs/dbraw/zinc/13/97/05/609139705.db2.gz CLIMZPHXJFZXSC-UHFFFAOYSA-N -1 3 356.798 3.382 20 0 FGADHM Fc1cc(NCCn2cccn2)ccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826372935 609178365 /nfs/dbraw/zinc/17/83/65/609178365.db2.gz SGNJUSIJLKLYSO-UHFFFAOYSA-N -1 3 365.372 3.107 20 0 FGADHM Fc1cc(NCCn2cccn2)ccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826372935 609178367 /nfs/dbraw/zinc/17/83/67/609178367.db2.gz SGNJUSIJLKLYSO-UHFFFAOYSA-N -1 3 365.372 3.107 20 0 FGADHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N1CCCCC[C@@H]1/C=C\c1ccccc1 ZINC000826469623 609224349 /nfs/dbraw/zinc/22/43/49/609224349.db2.gz MSBRMGFYSZBBKD-QXPKXGMISA-N -1 3 362.437 3.293 20 0 FGADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1CCCCC[C@@H]1/C=C\c1ccccc1 ZINC000826469623 609224351 /nfs/dbraw/zinc/22/43/51/609224351.db2.gz MSBRMGFYSZBBKD-QXPKXGMISA-N -1 3 362.437 3.293 20 0 FGADHM CC(C)c1ccc([C@H]2CCCN2C(=O)c2c[nH]c(-c3nnn[n-]3)c2)cc1 ZINC000824348035 609229244 /nfs/dbraw/zinc/22/92/44/609229244.db2.gz XJGWUCOVKWBBRL-QGZVFWFLSA-N -1 3 350.426 3.296 20 0 FGADHM CC(C)c1ccc([C@H]2CCCN2C(=O)c2c[nH]c(-c3nn[n-]n3)c2)cc1 ZINC000824348035 609229246 /nfs/dbraw/zinc/22/92/46/609229246.db2.gz XJGWUCOVKWBBRL-QGZVFWFLSA-N -1 3 350.426 3.296 20 0 FGADHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N1CCCC[C@@H]1CCCc1ccccc1 ZINC000826469929 609229438 /nfs/dbraw/zinc/22/94/38/609229438.db2.gz WHKJYSVLKODJDE-QGZVFWFLSA-N -1 3 364.453 3.212 20 0 FGADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1CCCC[C@@H]1CCCc1ccccc1 ZINC000826469929 609229439 /nfs/dbraw/zinc/22/94/39/609229439.db2.gz WHKJYSVLKODJDE-QGZVFWFLSA-N -1 3 364.453 3.212 20 0 FGADHM CCCC[C@H](CC)Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1 ZINC000825261134 609242219 /nfs/dbraw/zinc/24/22/19/609242219.db2.gz VBBYDKTVNOFRIJ-AWEZNQCLSA-N -1 3 358.490 3.209 20 0 FGADHM CCCC[C@H](CC)Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1 ZINC000825261134 609242220 /nfs/dbraw/zinc/24/22/20/609242220.db2.gz VBBYDKTVNOFRIJ-AWEZNQCLSA-N -1 3 358.490 3.209 20 0 FGADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1)C1(c2ccc(F)cc2F)CCC1 ZINC000826465120 609248165 /nfs/dbraw/zinc/24/81/65/609248165.db2.gz ZNXRWYZHGWTMPU-UHFFFAOYSA-N -1 3 370.359 3.310 20 0 FGADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1)C1(c2ccc(F)cc2F)CCC1 ZINC000826465120 609248167 /nfs/dbraw/zinc/24/81/67/609248167.db2.gz ZNXRWYZHGWTMPU-UHFFFAOYSA-N -1 3 370.359 3.310 20 0 FGADHM Cc1cc(C(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)nn1[C@H](C)C1CC1 ZINC000826260935 609256322 /nfs/dbraw/zinc/25/63/22/609256322.db2.gz KKNLDYKWKXXVSV-CHWSQXEVSA-N -1 3 366.425 3.261 20 0 FGADHM Cc1cc(C(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)nn1[C@H](C)C1CC1 ZINC000826260935 609256323 /nfs/dbraw/zinc/25/63/23/609256323.db2.gz KKNLDYKWKXXVSV-CHWSQXEVSA-N -1 3 366.425 3.261 20 0 FGADHM CCCCCN(CCCOC)C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000825275808 609264901 /nfs/dbraw/zinc/26/49/01/609264901.db2.gz BTWZQRGHPQTDOA-UHFFFAOYSA-N -1 3 365.865 3.189 20 0 FGADHM CCCCCN(CCCOC)C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000825275808 609264902 /nfs/dbraw/zinc/26/49/02/609264902.db2.gz BTWZQRGHPQTDOA-UHFFFAOYSA-N -1 3 365.865 3.189 20 0 FGADHM CCN(C(=O)C=Cc1ccc(O)cc1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367182 609268574 /nfs/dbraw/zinc/26/85/74/609268574.db2.gz KLGLKTSKRKJJSV-BLXFFLACSA-N -1 3 363.421 3.195 20 0 FGADHM CCN(C(=O)C=Cc1ccc(O)cc1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367182 609268575 /nfs/dbraw/zinc/26/85/75/609268575.db2.gz KLGLKTSKRKJJSV-BLXFFLACSA-N -1 3 363.421 3.195 20 0 FGADHM CCOc1ccc(N[C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)cc1CO ZINC000825643700 609276889 /nfs/dbraw/zinc/27/68/89/609276889.db2.gz RTZUURHYMQUIQI-SFHVURJKSA-N -1 3 365.437 3.247 20 0 FGADHM CCOc1ccc(N[C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)cc1CO ZINC000825643700 609276890 /nfs/dbraw/zinc/27/68/90/609276890.db2.gz RTZUURHYMQUIQI-SFHVURJKSA-N -1 3 365.437 3.247 20 0 FGADHM C[C@H](OC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1nc(C2CC2)cs1 ZINC000824716639 609285825 /nfs/dbraw/zinc/28/58/25/609285825.db2.gz ZPCMOOUMIHEENB-JTQLQIEISA-N -1 3 355.423 3.048 20 0 FGADHM C[C@H](OC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1nc(C2CC2)cs1 ZINC000824716639 609285826 /nfs/dbraw/zinc/28/58/26/609285826.db2.gz ZPCMOOUMIHEENB-JTQLQIEISA-N -1 3 355.423 3.048 20 0 FGADHM O=C(N[C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826430042 609287492 /nfs/dbraw/zinc/28/74/92/609287492.db2.gz SBVCEJGMQYVASS-ZJUUUORDSA-N -1 3 373.766 3.371 20 0 FGADHM O=C(N[C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826430042 609287493 /nfs/dbraw/zinc/28/74/93/609287493.db2.gz SBVCEJGMQYVASS-ZJUUUORDSA-N -1 3 373.766 3.371 20 0 FGADHM CCCC[C@@H](CC)C(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000825259309 609292244 /nfs/dbraw/zinc/29/22/44/609292244.db2.gz ICXPUXKIMNMAMA-GFCCVEGCSA-N -1 3 371.420 3.346 20 0 FGADHM Fc1cccc(-n2ccc(NCc3cccc4cc[nH]c43)n2)c1-c1nnn[n-]1 ZINC000826376741 609320832 /nfs/dbraw/zinc/32/08/32/609320832.db2.gz PVCXDPCHFMJLLZ-UHFFFAOYSA-N -1 3 374.383 3.285 20 0 FGADHM CCC(CC)[C@H]1C[C@@H](Nc2nc3c(cc2-c2nnn[n-]2)CCC3)CCO1 ZINC000825106604 609322436 /nfs/dbraw/zinc/32/24/36/609322436.db2.gz GLXXOVIKOGVPNH-WMLDXEAASA-N -1 3 356.474 3.146 20 0 FGADHM CCC(CC)[C@H]1C[C@@H](Nc2nc3c(cc2-c2nn[n-]n2)CCC3)CCO1 ZINC000825106604 609322438 /nfs/dbraw/zinc/32/24/38/609322438.db2.gz GLXXOVIKOGVPNH-WMLDXEAASA-N -1 3 356.474 3.146 20 0 FGADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)Nc1ncccc1Cl ZINC000826405941 609334041 /nfs/dbraw/zinc/33/40/41/609334041.db2.gz AFDGTISTDWQGAR-UHFFFAOYSA-N -1 3 372.816 3.103 20 0 FGADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)Nc1ncccc1Cl ZINC000826405941 609334043 /nfs/dbraw/zinc/33/40/43/609334043.db2.gz AFDGTISTDWQGAR-UHFFFAOYSA-N -1 3 372.816 3.103 20 0 FGADHM Cn1cc(CNc2ccc3c(c2)CCC3)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826361850 609337977 /nfs/dbraw/zinc/33/79/77/609337977.db2.gz RUAJVOWZLQVZQV-UHFFFAOYSA-N -1 3 371.448 3.368 20 0 FGADHM Cn1cc(CNc2ccc3c(c2)CCC3)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826361850 609337978 /nfs/dbraw/zinc/33/79/78/609337978.db2.gz RUAJVOWZLQVZQV-UHFFFAOYSA-N -1 3 371.448 3.368 20 0 FGADHM COc1ccc(CN[C@@H](CC(C)(C)C)C(F)(F)F)cc1-c1nnn[n-]1 ZINC000826202077 609344517 /nfs/dbraw/zinc/34/45/17/609344517.db2.gz NJGFQWGYHNLDHX-ZDUSSCGKSA-N -1 3 357.380 3.332 20 0 FGADHM COc1ccc(CN[C@@H](CC(C)(C)C)C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826202077 609344518 /nfs/dbraw/zinc/34/45/18/609344518.db2.gz NJGFQWGYHNLDHX-ZDUSSCGKSA-N -1 3 357.380 3.332 20 0 FGADHM COc1cc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2F)cc(OC)c1OC ZINC000826180562 609347030 /nfs/dbraw/zinc/34/70/30/609347030.db2.gz MOHFXESKMICTLP-SNVBAGLBSA-N -1 3 373.388 3.205 20 0 FGADHM COc1cc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2F)cc(OC)c1OC ZINC000826180562 609347032 /nfs/dbraw/zinc/34/70/32/609347032.db2.gz MOHFXESKMICTLP-SNVBAGLBSA-N -1 3 373.388 3.205 20 0 FGADHM Cc1nc2cc(NC(=O)NCc3ccc(-c4nnn[n-]4)cc3)ccc2s1 ZINC000826328249 609366868 /nfs/dbraw/zinc/36/68/68/609366868.db2.gz KOBNXOVQNNAROX-UHFFFAOYSA-N -1 3 365.422 3.107 20 0 FGADHM Cc1nc2cc(NC(=O)NCc3ccc(-c4nn[n-]n4)cc3)ccc2s1 ZINC000826328249 609366871 /nfs/dbraw/zinc/36/68/71/609366871.db2.gz KOBNXOVQNNAROX-UHFFFAOYSA-N -1 3 365.422 3.107 20 0 FGADHM CC[C@@H]1C[C@@H](CC(=O)N(CC)[C@H](C)c2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000825180768 609375502 /nfs/dbraw/zinc/37/55/02/609375502.db2.gz ANKUYKDGKUDIFU-RVKKMQEKSA-N -1 3 371.485 3.372 20 0 FGADHM CC[C@@H]1C[C@@H](CC(=O)N(CC)[C@H](C)c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000825180768 609375505 /nfs/dbraw/zinc/37/55/05/609375505.db2.gz ANKUYKDGKUDIFU-RVKKMQEKSA-N -1 3 371.485 3.372 20 0 FGADHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1C[C@H]1CCc2ccccc2C1 ZINC000826334696 609378962 /nfs/dbraw/zinc/37/89/62/609378962.db2.gz FWHYNHCNVUWCTR-HNNXBMFYSA-N -1 3 371.448 3.239 20 0 FGADHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1C[C@H]1CCc2ccccc2C1 ZINC000826334696 609378965 /nfs/dbraw/zinc/37/89/65/609378965.db2.gz FWHYNHCNVUWCTR-HNNXBMFYSA-N -1 3 371.448 3.239 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccnc(Cl)c1 ZINC000825319073 609382696 /nfs/dbraw/zinc/38/26/96/609382696.db2.gz WRZMWKFZNJGBIJ-UHFFFAOYSA-N -1 3 371.832 3.359 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccnc(Cl)c1 ZINC000825319073 609382698 /nfs/dbraw/zinc/38/26/98/609382698.db2.gz WRZMWKFZNJGBIJ-UHFFFAOYSA-N -1 3 371.832 3.359 20 0 FGADHM O=C1[C@H](Sc2cccs2)CCCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000826477461 609420333 /nfs/dbraw/zinc/42/03/33/609420333.db2.gz DRIBMSKPJXRFFH-CYBMUJFWSA-N -1 3 357.464 3.216 20 0 FGADHM O=C1[C@H](Sc2cccs2)CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826477461 609420335 /nfs/dbraw/zinc/42/03/35/609420335.db2.gz DRIBMSKPJXRFFH-CYBMUJFWSA-N -1 3 357.464 3.216 20 0 FGADHM Cn1nc(C2CCCC2)cc1NC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826366174 609431568 /nfs/dbraw/zinc/43/15/68/609431568.db2.gz VTVKGUXEVWCFFK-UHFFFAOYSA-N -1 3 371.832 3.164 20 0 FGADHM Cn1nc(C2CCCC2)cc1NC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826366174 609431569 /nfs/dbraw/zinc/43/15/69/609431569.db2.gz VTVKGUXEVWCFFK-UHFFFAOYSA-N -1 3 371.832 3.164 20 0 FGADHM CC(C)Nc1cccc(F)c1NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000824305059 609439090 /nfs/dbraw/zinc/43/90/90/609439090.db2.gz KHHGZRRZMVYLCH-UHFFFAOYSA-N -1 3 356.405 3.317 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1CNc1ccc(F)cc1NC(C)C ZINC000826184328 609440271 /nfs/dbraw/zinc/44/02/71/609440271.db2.gz STOAILOASBVHSG-UHFFFAOYSA-N -1 3 356.405 3.447 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1CNc1ccc(F)cc1NC(C)C ZINC000826184328 609440273 /nfs/dbraw/zinc/44/02/73/609440273.db2.gz STOAILOASBVHSG-UHFFFAOYSA-N -1 3 356.405 3.447 20 0 FGADHM Cc1sc(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)nc1-c1ccc(C)cc1 ZINC000826273373 609441797 /nfs/dbraw/zinc/44/17/97/609441797.db2.gz ARBNXNUSVRXWTR-UHFFFAOYSA-N -1 3 365.422 3.187 20 0 FGADHM Cc1sc(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)nc1-c1ccc(C)cc1 ZINC000826273373 609441799 /nfs/dbraw/zinc/44/17/99/609441799.db2.gz ARBNXNUSVRXWTR-UHFFFAOYSA-N -1 3 365.422 3.187 20 0 FGADHM CC(=Cc1ccc(C)cc1)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000823943996 609451664 /nfs/dbraw/zinc/45/16/64/609451664.db2.gz WRTISPHDBPAVRG-LCYFTJDESA-N -1 3 351.385 3.034 20 0 FGADHM CC(=Cc1ccc(C)cc1)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000823943996 609451665 /nfs/dbraw/zinc/45/16/65/609451665.db2.gz WRTISPHDBPAVRG-LCYFTJDESA-N -1 3 351.385 3.034 20 0 FGADHM O=C(Nc1ccc(NC2CCCCC2)cc1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826454738 609452824 /nfs/dbraw/zinc/45/28/24/609452824.db2.gz JDAAIUWXCXWWGO-UHFFFAOYSA-N -1 3 351.414 3.192 20 0 FGADHM O=C(Nc1ccc(NC2CCCCC2)cc1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826454738 609452826 /nfs/dbraw/zinc/45/28/26/609452826.db2.gz JDAAIUWXCXWWGO-UHFFFAOYSA-N -1 3 351.414 3.192 20 0 FGADHM Cc1cccc(COc2cccc(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)c2)c1 ZINC000826298427 609459556 /nfs/dbraw/zinc/45/95/56/609459556.db2.gz RSPOGNYRNPJKFW-UHFFFAOYSA-N -1 3 374.404 3.335 20 0 FGADHM Cc1cccc(COc2cccc(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)c2)c1 ZINC000826298427 609459559 /nfs/dbraw/zinc/45/95/59/609459559.db2.gz RSPOGNYRNPJKFW-UHFFFAOYSA-N -1 3 374.404 3.335 20 0 FGADHM Cc1cc(OCc2ccccc2)ccc1NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826272009 609463002 /nfs/dbraw/zinc/46/30/02/609463002.db2.gz QVBWCBBFZXAWTN-UHFFFAOYSA-N -1 3 374.404 3.335 20 0 FGADHM Cc1cc(OCc2ccccc2)ccc1NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826272009 609463005 /nfs/dbraw/zinc/46/30/05/609463005.db2.gz QVBWCBBFZXAWTN-UHFFFAOYSA-N -1 3 374.404 3.335 20 0 FGADHM CCOc1cccc(CNc2cc(-c3nnn[n-]3)ccc2OC(C)C)n1 ZINC000825648879 609478858 /nfs/dbraw/zinc/47/88/58/609478858.db2.gz FOGIAQKLUVCUDQ-UHFFFAOYSA-N -1 3 354.414 3.060 20 0 FGADHM CCOc1cccc(CNc2cc(-c3nn[n-]n3)ccc2OC(C)C)n1 ZINC000825648879 609478861 /nfs/dbraw/zinc/47/88/61/609478861.db2.gz FOGIAQKLUVCUDQ-UHFFFAOYSA-N -1 3 354.414 3.060 20 0 FGADHM C[C@H]1C[C@H](Nc2ccc(OCc3cccc(-c4nnn[n-]4)c3)cc2)CCO1 ZINC000824892986 609483000 /nfs/dbraw/zinc/48/30/00/609483000.db2.gz OJQOYWLZAGTCEI-KBXCAEBGSA-N -1 3 365.437 3.425 20 0 FGADHM C[C@H]1C[C@H](Nc2ccc(OCc3cccc(-c4nn[n-]n4)c3)cc2)CCO1 ZINC000824892986 609483003 /nfs/dbraw/zinc/48/30/03/609483003.db2.gz OJQOYWLZAGTCEI-KBXCAEBGSA-N -1 3 365.437 3.425 20 0 FGADHM COCCOc1ccc(-c2nnn[n-]2)cc1NCc1cc2ccccc2o1 ZINC000826162216 609483650 /nfs/dbraw/zinc/48/36/50/609483650.db2.gz SHVVGZCVBVVURT-UHFFFAOYSA-N -1 3 365.393 3.250 20 0 FGADHM COCCOc1ccc(-c2nn[n-]n2)cc1NCc1cc2ccccc2o1 ZINC000826162216 609483652 /nfs/dbraw/zinc/48/36/52/609483652.db2.gz SHVVGZCVBVVURT-UHFFFAOYSA-N -1 3 365.393 3.250 20 0 FGADHM Cc1ccncc1C=CC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC000826315705 609493543 /nfs/dbraw/zinc/49/35/43/609493543.db2.gz QMGDZHZPVUHSAW-FNORWQNLSA-N -1 3 364.409 3.009 20 0 FGADHM Cc1ccncc1C=CC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC000826315705 609493545 /nfs/dbraw/zinc/49/35/45/609493545.db2.gz QMGDZHZPVUHSAW-FNORWQNLSA-N -1 3 364.409 3.009 20 0 FGADHM Cc1ccc(C(C)C)c(OS(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826283209 609504175 /nfs/dbraw/zinc/50/41/75/609504175.db2.gz MUBSCXFRNNYSKH-UHFFFAOYSA-N -1 3 372.450 3.207 20 0 FGADHM Cc1ccc(C(C)C)c(OS(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826283209 609504177 /nfs/dbraw/zinc/50/41/77/609504177.db2.gz MUBSCXFRNNYSKH-UHFFFAOYSA-N -1 3 372.450 3.207 20 0 FGADHM Cc1c(Cl)cnc(NCCCn2cnc3ccccc32)c1-c1nnn[n-]1 ZINC000826239732 609522812 /nfs/dbraw/zinc/52/28/12/609522812.db2.gz OUKWGKMAHQDNRS-UHFFFAOYSA-N -1 3 368.832 3.075 20 0 FGADHM Cc1c(Cl)cnc(NCCCn2cnc3ccccc32)c1-c1nn[n-]n1 ZINC000826239732 609522813 /nfs/dbraw/zinc/52/28/13/609522813.db2.gz OUKWGKMAHQDNRS-UHFFFAOYSA-N -1 3 368.832 3.075 20 0 FGADHM Cc1ccnc(NCc2cc(F)ccc2Br)c1-c1nnn[n-]1 ZINC000826314066 609538395 /nfs/dbraw/zinc/53/83/95/609538395.db2.gz DSHQATVOHCTCOH-UHFFFAOYSA-N -1 3 363.194 3.084 20 0 FGADHM Cc1ccnc(NCc2cc(F)ccc2Br)c1-c1nn[n-]n1 ZINC000826314066 609538396 /nfs/dbraw/zinc/53/83/96/609538396.db2.gz DSHQATVOHCTCOH-UHFFFAOYSA-N -1 3 363.194 3.084 20 0 FGADHM CCCCN(CCCC)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000825281826 609538454 /nfs/dbraw/zinc/53/84/54/609538454.db2.gz JRRABDYOEVLSSJ-UHFFFAOYSA-N -1 3 371.894 3.111 20 0 FGADHM CCCCN(CCCC)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000825281826 609538455 /nfs/dbraw/zinc/53/84/55/609538455.db2.gz JRRABDYOEVLSSJ-UHFFFAOYSA-N -1 3 371.894 3.111 20 0 FGADHM CC(C)Oc1c(F)cc(NC(=O)c2cccc(-c3nnn[n-]3)c2)cc1F ZINC000824315115 609538841 /nfs/dbraw/zinc/53/88/41/609538841.db2.gz KJRRTSRWEHNZKE-UHFFFAOYSA-N -1 3 359.336 3.184 20 0 FGADHM CC(C)Oc1c(F)cc(NC(=O)c2cccc(-c3nn[n-]n3)c2)cc1F ZINC000824315115 609538843 /nfs/dbraw/zinc/53/88/43/609538843.db2.gz KJRRTSRWEHNZKE-UHFFFAOYSA-N -1 3 359.336 3.184 20 0 FGADHM Cc1nc2cc(Nc3ncc(Cl)c(C)c3-c3nnn[n-]3)ccc2n1C ZINC000826240507 609564148 /nfs/dbraw/zinc/56/41/48/609564148.db2.gz XCKYRNOUYZYISG-UHFFFAOYSA-N -1 3 354.805 3.162 20 0 FGADHM Cc1nc2cc(Nc3ncc(Cl)c(C)c3-c3nn[n-]n3)ccc2n1C ZINC000826240507 609564150 /nfs/dbraw/zinc/56/41/50/609564150.db2.gz XCKYRNOUYZYISG-UHFFFAOYSA-N -1 3 354.805 3.162 20 0 FGADHM Cc1ncc(C=CC(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)s1 ZINC000826329850 609617328 /nfs/dbraw/zinc/61/73/28/609617328.db2.gz VFQKNLJUNNVVFY-SNAWJCMRSA-N -1 3 361.814 3.042 20 0 FGADHM Cc1ncc(C=CC(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)s1 ZINC000826329850 609617330 /nfs/dbraw/zinc/61/73/30/609617330.db2.gz VFQKNLJUNNVVFY-SNAWJCMRSA-N -1 3 361.814 3.042 20 0 FGADHM CC(=O)c1c[nH]c(C(=O)O[C@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)c1 ZINC000007179649 695564407 /nfs/dbraw/zinc/56/44/07/695564407.db2.gz IDBONQXCVLEVLI-SECBINFHSA-N -1 3 359.407 3.050 20 0 FGADHM O=C(O[C@H](C(=O)NC1CC1)c1ccccc1)c1cc(Cl)c(Cl)[n-]1 ZINC000011810306 695602918 /nfs/dbraw/zinc/60/29/18/695602918.db2.gz RHABXXDPGXRYBL-ZDUSSCGKSA-N -1 3 353.205 3.498 20 0 FGADHM COc1cc(OC)cc(C(=O)N[N-]C(=O)c2cccc(Cl)c2Cl)c1 ZINC000014687078 695614400 /nfs/dbraw/zinc/61/44/00/695614400.db2.gz ZFJSXGLKQBYLMZ-UHFFFAOYSA-N -1 3 369.204 3.085 20 0 FGADHM COCc1ccc(C(=O)O[C@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)o1 ZINC000016197877 695626466 /nfs/dbraw/zinc/62/64/66/695626466.db2.gz JLXISVIWKFIHSD-SECBINFHSA-N -1 3 362.407 3.259 20 0 FGADHM Cc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)c(C)c1 ZINC000024483636 695668064 /nfs/dbraw/zinc/66/80/64/695668064.db2.gz QALDAOUINLWBGP-UHFFFAOYSA-N -1 3 362.426 3.136 20 0 FGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)/C=C/c1ccccc1Cl ZINC000024881946 695670681 /nfs/dbraw/zinc/67/06/81/695670681.db2.gz IJZLOYVSDKSBNS-ZHACJKMWSA-N -1 3 350.827 3.363 20 0 FGADHM C[C@H](N/C=C1/C(=O)[N-]C(=O)c2ccccc21)c1ccc(Br)cc1 ZINC000029185273 695710277 /nfs/dbraw/zinc/71/02/77/695710277.db2.gz QEWLZLVCLITXJE-YAFRSCOQSA-N -1 3 371.234 3.411 20 0 FGADHM CCCN(CCC)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000029738819 695715894 /nfs/dbraw/zinc/71/58/94/695715894.db2.gz BNCXIUQLLVWEFI-UHFFFAOYSA-N -1 3 358.479 3.165 20 0 FGADHM COC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2)cc1 ZINC000034345911 695751452 /nfs/dbraw/zinc/75/14/52/695751452.db2.gz JONANZKAMPHNIH-UHFFFAOYSA-N -1 3 372.349 3.267 20 0 FGADHM O=C(NN=C1CCN(Cc2ccccc2Cl)CC1)c1ccccc1[O-] ZINC000043912649 695798718 /nfs/dbraw/zinc/79/87/18/695798718.db2.gz KCSBUJLSCROXFK-UHFFFAOYSA-N -1 3 357.841 3.427 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])c1ccccc1OC ZINC000046036161 695830496 /nfs/dbraw/zinc/83/04/96/695830496.db2.gz UAYXBVXJUJXERX-AWEZNQCLSA-N -1 3 364.423 3.341 20 0 FGADHM O=S(=O)([N-]C[C@H](c1ccccc1)N1CCCC1)c1c(F)cccc1F ZINC000047032983 695850312 /nfs/dbraw/zinc/85/03/12/695850312.db2.gz WYDCOWADEWXIEB-QGZVFWFLSA-N -1 3 366.433 3.080 20 0 FGADHM CCCCS[C@@H](C)C(=O)N[N-]C(=O)c1ccccc1Br ZINC000048722669 695888074 /nfs/dbraw/zinc/88/80/74/695888074.db2.gz IYUCDLHVCXWLAW-JTQLQIEISA-N -1 3 359.289 3.132 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)C3=COCC3)cc2)cc1 ZINC000075663611 700216536 /nfs/dbraw/zinc/21/65/36/700216536.db2.gz RUJBASZUMHSUBJ-UHFFFAOYSA-N -1 3 358.419 3.039 20 0 FGADHM CC(C)CN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)C(C)C ZINC000078783637 700288065 /nfs/dbraw/zinc/28/80/65/700288065.db2.gz FEOMBQLMOKXYQY-UHFFFAOYSA-N -1 3 372.506 3.409 20 0 FGADHM COC(=O)c1[nH]c(C)cc1[N-]S(=O)(=O)/C=C/c1ccccc1Cl ZINC000078829864 700289119 /nfs/dbraw/zinc/28/91/19/700289119.db2.gz HYZTWNBWUTWITB-BQYQJAHWSA-N -1 3 354.815 3.176 20 0 FGADHM CSCc1cc(F)ccc1CN/C=C1/C(=O)[N-]C(=O)c2ccccc21 ZINC000086961853 700372407 /nfs/dbraw/zinc/37/24/07/700372407.db2.gz HCGDFESFBODMBQ-LICLKQGHSA-N -1 3 356.422 3.089 20 0 FGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(F)cc2)ccc1F ZINC000119408555 700628266 /nfs/dbraw/zinc/62/82/66/700628266.db2.gz YPAPAZYNADDGIO-UHFFFAOYSA-N -1 3 368.405 3.294 20 0 FGADHM O=C(CSc1nc2ccccc2s1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000123593142 700707215 /nfs/dbraw/zinc/70/72/15/700707215.db2.gz OJPHNLHKWNOSIT-UHFFFAOYSA-N -1 3 368.447 3.207 20 0 FGADHM O=C(CSc1nc2ccccc2s1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000123593142 700707218 /nfs/dbraw/zinc/70/72/18/700707218.db2.gz OJPHNLHKWNOSIT-UHFFFAOYSA-N -1 3 368.447 3.207 20 0 FGADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H](C)c1ccc(F)cc1Cl ZINC000128750939 700779235 /nfs/dbraw/zinc/77/92/35/700779235.db2.gz LYFOGXJOEQQOPX-SSDOTTSWSA-N -1 3 366.245 3.214 20 0 FGADHM CC(C)(C)OC(=O)N[C@H](C(=O)NCc1ccc([O-])c(F)c1)C(C)(C)C ZINC000133606582 700839719 /nfs/dbraw/zinc/83/97/19/700839719.db2.gz UKTUGVZNEWHAJA-CQSZACIVSA-N -1 3 354.422 3.087 20 0 FGADHM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)nc2Br)c1 ZINC000135242439 704840843 /nfs/dbraw/zinc/84/08/43/704840843.db2.gz JJBZQZRNTATTJG-UHFFFAOYSA-N -1 3 369.240 3.156 20 0 FGADHM O=C(Cc1cc(Cl)ccc1Br)[N-]OCc1cccnc1 ZINC000152554889 704966013 /nfs/dbraw/zinc/96/60/13/704966013.db2.gz GVKWZYNOAYKECS-UHFFFAOYSA-N -1 3 355.619 3.288 20 0 FGADHM O=C(Nc1ccc(Cl)cc1[O-])c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000153662589 705008016 /nfs/dbraw/zinc/00/80/16/705008016.db2.gz WQTVWGXLNAYWSY-UHFFFAOYSA-N -1 3 361.753 3.294 20 0 FGADHM C[C@@H](C(=O)[N-]OCCC(F)(F)F)N1CCC(Cc2ccccc2)CC1 ZINC000155089033 705062539 /nfs/dbraw/zinc/06/25/39/705062539.db2.gz QHBZDOJXMFUMGO-AWEZNQCLSA-N -1 3 358.404 3.330 20 0 FGADHM 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712793452 /nfs/dbraw/zinc/79/34/52/712793452.db2.gz CPHLHJZJHFVXSS-UHFFFAOYSA-N -1 3 354.160 3.079 20 0 FGADHM CCn1ncc2ccc([N-]S(=O)(=O)C3=Cc4ccccc4OC3)cc21 ZINC000190258567 712809667 /nfs/dbraw/zinc/80/96/67/712809667.db2.gz MGKLOEAORINFEQ-UHFFFAOYSA-N -1 3 355.419 3.231 20 0 FGADHM O=C(CNCc1c([O-])ccc(Cl)c1F)Nc1ccc(F)c(F)c1F ZINC000190684457 712820402 /nfs/dbraw/zinc/82/04/02/712820402.db2.gz HNQWDSUNWDHMEX-UHFFFAOYSA-N -1 3 362.710 3.330 20 0 FGADHM [O-]c1ccc(Cl)c(F)c1CNCc1ccccc1N1CCOCC1 ZINC000190887154 712825758 /nfs/dbraw/zinc/82/57/58/712825758.db2.gz LQJUQGWXMYALAI-UHFFFAOYSA-N -1 3 350.821 3.311 20 0 FGADHM CCc1ccc(C(=O)Nc2cccc(C[S@@](=O)CCOC)c2)c([O-])c1 ZINC000191684758 712841552 /nfs/dbraw/zinc/84/15/52/712841552.db2.gz QRJTXXCZSDGTCJ-VWLOTQADSA-N -1 3 361.463 3.102 20 0 FGADHM CS[C@H]1CC[C@H]([N-]S(=O)(=O)c2cc(C)c(Br)s2)C1 ZINC000227440439 713573617 /nfs/dbraw/zinc/57/36/17/713573617.db2.gz TUQNBQUJCINTHC-IUCAKERBSA-N -1 3 370.359 3.381 20 0 FGADHM COc1ccccc1/C(C)=C\C(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000255064660 713682600 /nfs/dbraw/zinc/68/26/00/713682600.db2.gz VYWYQNONHCFTCA-SEYXRHQNSA-N -1 3 360.435 3.109 20 0 FGADHM CO[C@H]1CCCC[C@H]1S(=O)(=O)[N-]c1cccc(-c2nccc(C)n2)c1 ZINC000641683659 717920124 /nfs/dbraw/zinc/92/01/24/717920124.db2.gz RKUHEDPLOWOYMJ-DLBZAZTESA-N -1 3 361.467 3.151 20 0 FGADHM O=C([O-])c1cccc(CN2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c1 ZINC000263401859 713745001 /nfs/dbraw/zinc/74/50/01/713745001.db2.gz IJYHFCOCVOXQME-AWEZNQCLSA-N -1 3 353.344 3.437 20 0 FGADHM Cc1nn(-c2ccc(Br)cc2)cc1CN(C)C[C@H](C)C(=O)[O-] ZINC000263518441 713748208 /nfs/dbraw/zinc/74/82/08/713748208.db2.gz PUFHYHWZQJXDGN-NSHDSACASA-N -1 3 366.259 3.096 20 0 FGADHM O=C(c1cc([O-])c2ccccc2c1)N1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000286234030 713765313 /nfs/dbraw/zinc/76/53/13/713765313.db2.gz LVPHWAJILFXQEJ-HIFRSBDPSA-N -1 3 353.340 3.178 20 0 FGADHM C[C@H]1CC[C@H](NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)CC1 ZINC000303271960 713785711 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CCOc1ccc([N-]S(=O)(=O)c2ccc(OCCOC)c(C)c2)cc1 ZINC000642239641 717961891 /nfs/dbraw/zinc/96/18/91/717961891.db2.gz CPUOOOXFOGNGQR-UHFFFAOYSA-N -1 3 365.451 3.220 20 0 FGADHM Cc1nn(C)c(C)c1C[C@H](C)C(=O)Nc1ccc(Br)cc1[O-] ZINC000525161233 714324363 /nfs/dbraw/zinc/32/43/63/714324363.db2.gz JVOQAUFUULZCJP-VIFPVBQESA-N -1 3 366.259 3.322 20 0 FGADHM COc1cc(C(=O)Nc2cc(Cl)ccc2[O-])cc(NC(C)=O)c1OC ZINC000525241104 714335432 /nfs/dbraw/zinc/33/54/32/714335432.db2.gz IGISBQZSJGWAGV-UHFFFAOYSA-N -1 3 364.785 3.274 20 0 FGADHM Cc1[n-][nH]c(=O)c1CCNC(=O)C1(c2c(Cl)cccc2Cl)CCC1 ZINC000575744024 714458490 /nfs/dbraw/zinc/45/84/90/714458490.db2.gz NDTRRZWWVCNYQJ-NSHDSACASA-N -1 3 368.264 3.043 20 0 FGADHM Cc1cccc(Br)c1C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000616825108 714602548 /nfs/dbraw/zinc/60/25/48/714602548.db2.gz UOYDXPFGLHWRFY-LBPRGKRZSA-N -1 3 350.216 3.006 20 0 FGADHM O=C(Cc1ccc([O-])c(F)c1)NC[C@@H]1CCN(c2ccccc2Cl)C1 ZINC000617114801 714630141 /nfs/dbraw/zinc/63/01/41/714630141.db2.gz AYJBKKBDIWVGAB-AWEZNQCLSA-N -1 3 362.832 3.370 20 0 FGADHM CCOC(=O)c1ncc(NC(=O)c2cccc(-c3nc(C)cs3)c2)[n-]1 ZINC000617872442 714698735 /nfs/dbraw/zinc/69/87/35/714698735.db2.gz SBZXHRQAEAFRSB-UHFFFAOYSA-N -1 3 356.407 3.271 20 0 FGADHM CCOC(=O)c1nc(NC(=O)c2cccc(-c3nc(C)cs3)c2)c[n-]1 ZINC000617872442 714698737 /nfs/dbraw/zinc/69/87/37/714698737.db2.gz SBZXHRQAEAFRSB-UHFFFAOYSA-N -1 3 356.407 3.271 20 0 FGADHM O=C(N=c1ccn(C2CCOCC2)[nH]1)c1cc2cc(Cl)sc2[n-]1 ZINC000618909054 714786713 /nfs/dbraw/zinc/78/67/13/714786713.db2.gz SHEYKWDYXVBKHS-UHFFFAOYSA-N -1 3 350.831 3.105 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N1CC[C@@H]1C ZINC000620212456 714901256 /nfs/dbraw/zinc/90/12/56/714901256.db2.gz ONUVNBNZDMIQMG-ZDUSSCGKSA-N -1 3 362.426 3.169 20 0 FGADHM C[C@@H](NC(=O)c1cc([O-])cc(C(F)(F)F)c1)[C@@H](O)Cc1ccccc1 ZINC000621927175 715037480 /nfs/dbraw/zinc/03/74/80/715037480.db2.gz GYCFLHQCQPWIMK-BZNIZROVSA-N -1 3 353.340 3.133 20 0 FGADHM Cn1nc([C@@H]2CCCO2)cc1NC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621979365 715043295 /nfs/dbraw/zinc/04/32/95/715043295.db2.gz ZRLVYVMBEOWYRS-ZDUSSCGKSA-N -1 3 355.316 3.248 20 0 FGADHM CC[C@@H](COCC(F)(F)F)NC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622072206 715051975 /nfs/dbraw/zinc/05/19/75/715051975.db2.gz JAEIFMUOCHQBOW-JTQLQIEISA-N -1 3 359.266 3.498 20 0 FGADHM O=C(NCCOc1ccc(Cl)cn1)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622437549 715074521 /nfs/dbraw/zinc/07/45/21/715074521.db2.gz QPZFQNZTIMUZNQ-UHFFFAOYSA-N -1 3 360.719 3.268 20 0 FGADHM Cn1cc(NC(=O)c2cc([O-])cc(C(F)(F)F)c2)c(C(F)(F)F)n1 ZINC000622458003 715075796 /nfs/dbraw/zinc/07/57/96/715075796.db2.gz WRFJLJCOIVNXKH-UHFFFAOYSA-N -1 3 353.222 3.416 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]C[C@@H](C[C@@H](C)O)c2ccccc2)c(F)c1F ZINC000625063670 715651427 /nfs/dbraw/zinc/65/14/27/715651427.db2.gz ZGJGQFZPYXIGQA-UKRRQHHQSA-N -1 3 369.433 3.106 20 0 FGADHM C[C@@H]1CCCc2nc(S(=O)(=O)[N-]CC3(C(F)(F)F)CCCC3)cn21 ZINC000625622167 715760720 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20 0 FGADHM Cc1cccc(C)c1NC(=O)[C@@H](C)S(=O)(=O)c1nc(C(C)(C)C)c[n-]1 ZINC000630437176 716450925 /nfs/dbraw/zinc/45/09/25/716450925.db2.gz YBCBYELNVKMCJO-CYBMUJFWSA-N -1 3 363.483 3.125 20 0 FGADHM O=C([O-])[C@@H]1CCCCC[C@@H]1NCc1cn(-c2ccc(F)cc2Cl)nn1 ZINC000630465142 716460327 /nfs/dbraw/zinc/46/03/27/716460327.db2.gz OSLZAXQOAJEIIK-HIFRSBDPSA-N -1 3 366.824 3.183 20 0 FGADHM C[C@@H](c1ccccc1)N1CC[C@H]([N-]S(=O)(=O)c2ccc(C(F)F)o2)C1 ZINC000631788562 716680279 /nfs/dbraw/zinc/68/02/79/716680279.db2.gz WXCBPCLADRBUFB-JSGCOSHPSA-N -1 3 370.421 3.331 20 0 FGADHM CC(C)(C[N-]S(=O)(=O)c1c[nH]c(=O)s1)Cc1cccc(Cl)c1 ZINC000632091554 716720302 /nfs/dbraw/zinc/72/03/02/716720302.db2.gz JNCPWMYVDLIIJR-UHFFFAOYSA-N -1 3 360.888 3.049 20 0 FGADHM Cc1nc2c(Cl)cccc2cc1C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000633601807 716957985 /nfs/dbraw/zinc/95/79/85/716957985.db2.gz JBDDDLOXQSVLDK-OAHLLOKOSA-N -1 3 356.813 3.445 20 0 FGADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)CCOc1cccc(Cl)c1Cl)C2 ZINC000636284282 717257007 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COc1cccc(-c2noc([N-]Cc3nccn3CC(F)(F)F)n2)c1 ZINC000774528608 723903556 /nfs/dbraw/zinc/90/35/56/723903556.db2.gz HGCOXBHZKSAHHU-UHFFFAOYSA-N -1 3 353.304 3.116 20 0 FGADHM CCCCCC[C@H](C)NC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000798346452 723925219 /nfs/dbraw/zinc/92/52/19/723925219.db2.gz HFQCAQOYIATAOD-ZDUSSCGKSA-N -1 3 365.440 3.445 20 0 FGADHM CCCC[C@H](CCC)NC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000798431306 723931481 /nfs/dbraw/zinc/93/14/81/723931481.db2.gz IGFZQFMULTWDRF-AWEZNQCLSA-N -1 3 365.440 3.445 20 0 FGADHM CC(C)[C@@H](Sc1ccccc1)C(=O)OCCC[N-]C(=O)C(F)(F)F ZINC000774942020 723944422 /nfs/dbraw/zinc/94/44/22/723944422.db2.gz YSZVUHRHZGJGDA-CYBMUJFWSA-N -1 3 363.401 3.415 20 0 FGADHM Cc1noc2ncc([N-]S(=O)(=O)C3=Cc4ccccc4OCC3)cc12 ZINC000775281484 723975637 /nfs/dbraw/zinc/97/56/37/723975637.db2.gz STZQETUXMPVDDD-UHFFFAOYSA-N -1 3 357.391 3.097 20 0 FGADHM O=C([N-]CC1CCN(Cc2ccc(Cl)cc2F)CC1)C(F)(F)F ZINC000798958306 723980169 /nfs/dbraw/zinc/98/01/69/723980169.db2.gz 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/nfs/dbraw/zinc/17/21/50/724172150.db2.gz YSFUJHSPGPGNBX-UHFFFAOYSA-N -1 3 353.712 3.125 20 0 FGADHM Cc1ccc2cccnc2c1S(=O)(=O)[N-]c1ccccc1CN(C)C ZINC000778083218 724294697 /nfs/dbraw/zinc/29/46/97/724294697.db2.gz XQEOVPZTUZAUCP-UHFFFAOYSA-N -1 3 355.463 3.406 20 0 FGADHM Cn1ncc(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)n1 ZINC000786426449 724978642 /nfs/dbraw/zinc/97/86/42/724978642.db2.gz GNNPIBWBEAJHRR-UHFFFAOYSA-N -1 3 351.391 3.050 20 0 FGADHM Cc1cnc(Cl)c([N-]S(=O)(=O)c2ccccc2Cn2ccnc2)c1 ZINC000786878878 725004837 /nfs/dbraw/zinc/00/48/37/725004837.db2.gz BMBZSHCAPCAWHX-UHFFFAOYSA-N -1 3 362.842 3.089 20 0 FGADHM COC(=O)c1oc(COC(=O)CCCc2ccc([O-])c(F)c2)cc1C ZINC000787846584 725039465 /nfs/dbraw/zinc/03/94/65/725039465.db2.gz WFJWNDMMCNXJEK-UHFFFAOYSA-N -1 3 350.342 3.285 20 0 FGADHM O=S(=O)([N-][C@H](Cc1ccccc1)C1CC1)c1cnc(Cl)c(F)c1 ZINC000805008724 725043859 /nfs/dbraw/zinc/04/38/59/725043859.db2.gz AJMRKTWQDNAOFX-OAHLLOKOSA-N -1 3 354.834 3.174 20 0 FGADHM O=C(CCCC(=O)c1ccc(Cl)c(Cl)c1)[N-]OC[C@@H]1CCOC1 ZINC000788122947 725045273 /nfs/dbraw/zinc/04/52/73/725045273.db2.gz NXGZLEDWKDSAHC-LLVKDONJSA-N -1 3 360.237 3.431 20 0 FGADHM O=S(=O)([N-][C@H]1C[C@H](c2ccccc2F)C1)c1cnc(Cl)c(F)c1 ZINC000805086406 725048973 /nfs/dbraw/zinc/04/89/73/725048973.db2.gz FAXOFKUZWJTSHB-MGCOHNPYSA-N -1 3 358.797 3.238 20 0 FGADHM CCCc1cc(C(=O)OCC(=O)[N-]C(=O)c2cccs2)ccc1Cl ZINC000788201353 725049794 /nfs/dbraw/zinc/04/97/94/725049794.db2.gz XMIXWCVCUIHPLL-UHFFFAOYSA-N -1 3 365.838 3.467 20 0 FGADHM C[C@@H](CNC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C)C(C)(C)C ZINC000805119206 725050963 /nfs/dbraw/zinc/05/09/63/725050963.db2.gz AJTJHLZCLHNLHL-CYDGBPFRSA-N -1 3 365.440 3.156 20 0 FGADHM CCCC(=O)NC[C@H]1CCCN(C(=O)c2cc3sccc3c([O-])c2)C1 ZINC000788295615 725056032 /nfs/dbraw/zinc/05/60/32/725056032.db2.gz GPBNWIBCRCDTHX-CYBMUJFWSA-N -1 3 360.479 3.375 20 0 FGADHM CCOC(=O)N[C@H]1CCCN(Cc2cc(Cl)c([O-])c(OCC)c2)C1 ZINC000788843277 725091228 /nfs/dbraw/zinc/09/12/28/725091228.db2.gz NDIHUGLYHSMDOP-ZDUSSCGKSA-N -1 3 356.850 3.155 20 0 FGADHM COC(=O)[C@H](OC(=O)c1cccc(Br)c1[O-])c1ccsc1 ZINC000788942709 725097965 /nfs/dbraw/zinc/09/79/65/725097965.db2.gz XDFUJPDINGTWGL-GFCCVEGCSA-N -1 3 371.208 3.287 20 0 FGADHM COc1ccc(C(=O)[N-]C(=O)CN2CC(C)(C)[C@@H]2c2cccs2)cc1 ZINC000805838803 725100137 /nfs/dbraw/zinc/10/01/37/725100137.db2.gz HTOCMEJQGZNMOH-KRWDZBQOSA-N -1 3 358.463 3.096 20 0 FGADHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)CCCSC(C)(C)C ZINC000808145639 725185692 /nfs/dbraw/zinc/18/56/92/725185692.db2.gz SESGZBLTMZAKJS-OLZOCXBDSA-N -1 3 367.515 3.178 20 0 FGADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H](C)[C@@H](O)c1ccccc1 ZINC000808341578 725195550 /nfs/dbraw/zinc/19/55/50/725195550.db2.gz XJXVLNUGTIPWNO-YVEFUNNKSA-N -1 3 363.410 3.281 20 0 FGADHM CCN(CCCOC(=O)c1n[n-]c2c1cccc2OC)CC(F)(F)F ZINC000808675342 725213026 /nfs/dbraw/zinc/21/30/26/725213026.db2.gz DDWXUDWEDUHACE-UHFFFAOYSA-N -1 3 359.348 3.003 20 0 FGADHM CCN(CCCOC(=O)c1[n-]nc2c1cccc2OC)CC(F)(F)F ZINC000808675342 725213027 /nfs/dbraw/zinc/21/30/27/725213027.db2.gz DDWXUDWEDUHACE-UHFFFAOYSA-N -1 3 359.348 3.003 20 0 FGADHM C[C@H](c1ccc(F)cc1F)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000810068128 725286511 /nfs/dbraw/zinc/28/65/11/725286511.db2.gz ISOHPXNSZOLIAQ-MNOVXSKESA-N -1 3 350.331 3.416 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)c2ccc(N3CCCCC3=O)cc2)o1 ZINC000810118208 725289879 /nfs/dbraw/zinc/28/98/79/725289879.db2.gz OAQPQEYVIACOFK-AWEZNQCLSA-N -1 3 362.451 3.144 20 0 FGADHM CN(C(=O)c1cc([O-])ccc1Cl)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000810463904 725309319 /nfs/dbraw/zinc/30/93/19/725309319.db2.gz KNJSRAYGWMCBPM-LLVKDONJSA-N -1 3 354.834 3.127 20 0 FGADHM O=C(OCCCc1nc2ncccn2n1)c1cc2cc(Cl)sc2[n-]1 ZINC000810630784 725318849 /nfs/dbraw/zinc/31/88/49/725318849.db2.gz YLPGIWVZSQTFBP-UHFFFAOYSA-N -1 3 361.814 3.110 20 0 FGADHM Cc1ccc(NC(=S)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)cc1 ZINC000811712477 725377839 /nfs/dbraw/zinc/37/78/39/725377839.db2.gz UWGFULYKMVOLAY-LBPRGKRZSA-N -1 3 359.417 3.082 20 0 FGADHM Cc1ccccc1NC(=S)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000811712292 725377860 /nfs/dbraw/zinc/37/78/60/725377860.db2.gz OFKDDYBSAYHOPZ-GFCCVEGCSA-N -1 3 359.417 3.082 20 0 FGADHM O=C([N-]C[C@H]1CCCN(C(=O)NCCCC2CCCC2)C1)C(F)(F)F ZINC000811853515 725383082 /nfs/dbraw/zinc/38/30/82/725383082.db2.gz CVRNSXQGVGNIKA-CQSZACIVSA-N -1 3 363.424 3.057 20 0 FGADHM COc1cc(C(=O)OCc2cncc(C(F)(F)F)c2)cc(OC)c1[O-] ZINC000812589314 725400460 /nfs/dbraw/zinc/40/04/60/725400460.db2.gz DBTKEKBLBYIUFS-UHFFFAOYSA-N -1 3 357.284 3.180 20 0 FGADHM COc1ccc(Br)cc1C(=O)CCC(=O)[N-]OC1CCC1 ZINC000812787236 726810954 /nfs/dbraw/zinc/81/09/54/726810954.db2.gz JAFDQXUTCDFXIQ-UHFFFAOYSA-N -1 3 356.216 3.021 20 0 FGADHM O=C(Nc1ccc(Br)cc1[O-])[C@@H](O)c1ccc(Cl)cc1 ZINC000813409845 726871446 /nfs/dbraw/zinc/87/14/46/726871446.db2.gz OIAVVUKHNIYTIQ-ZDUSSCGKSA-N -1 3 356.603 3.480 20 0 FGADHM COC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2F)cc1 ZINC000814212559 726948508 /nfs/dbraw/zinc/94/85/08/726948508.db2.gz SCYLEBASEHJGBV-UHFFFAOYSA-N -1 3 360.313 3.083 20 0 FGADHM COC(=O)c1cc(C(=O)OCC(=O)c2ccc(Cl)cc2Cl)c[n-]1 ZINC000814529143 726978340 /nfs/dbraw/zinc/97/83/40/726978340.db2.gz RQZNKQBFFCKCFY-UHFFFAOYSA-N -1 3 356.161 3.148 20 0 FGADHM O=C(Nc1cc(I)ccc1[O-])c1sccc1F ZINC000815877826 727103496 /nfs/dbraw/zinc/10/34/96/727103496.db2.gz ISIVRGWDVQVXBU-UHFFFAOYSA-N -1 3 363.151 3.450 20 0 FGADHM C[C@H](NC(=O)c1cc([O-])cc(C(F)(F)F)c1)[C@H](O)c1ccc(F)cc1 ZINC000816957557 727210310 /nfs/dbraw/zinc/21/03/10/727210310.db2.gz QLZBPEWXKJVOIV-VFZGTOFNSA-N -1 3 357.303 3.402 20 0 FGADHM Cc1sc2[n-]c([C@@H](C)OC(=O)[C@H](C)c3ccnn3C)nc(=O)c2c1C ZINC000817265500 727234083 /nfs/dbraw/zinc/23/40/83/727234083.db2.gz DKAIVSGQHUZDMX-NXEZZACHSA-N -1 3 360.439 3.155 20 0 FGADHM O=C([N-]OCCC1CC1)[C@H]1CCCN(c2ncccc2C(F)(F)F)C1 ZINC000817393483 727246479 /nfs/dbraw/zinc/24/64/79/727246479.db2.gz RIPBJVXYPRJPDT-ZDUSSCGKSA-N -1 3 357.376 3.165 20 0 FGADHM O=C(CCc1nc(=O)c2c3c(sc2[nH]1)CCCC3)[N-]OCCC1CC1 ZINC000817408600 727247724 /nfs/dbraw/zinc/24/77/24/727247724.db2.gz YTHBLCLLXBRDGM-UHFFFAOYSA-N -1 3 361.467 3.056 20 0 FGADHM COc1ccc(N[C@H](C)C2(OC)CCCCC2)cc1[N-]S(C)(=O)=O ZINC000817581749 727267618 /nfs/dbraw/zinc/26/76/18/727267618.db2.gz UJBQRSCEHMDYDN-CYBMUJFWSA-N -1 3 356.488 3.216 20 0 FGADHM CC(C)n1ncc2cc(CN3C[C@H](C)C[C@H](C(=O)[O-])C3)c(Cl)nc21 ZINC000817881675 727286911 /nfs/dbraw/zinc/28/69/11/727286911.db2.gz MJXRAQDTBVMXDB-RISCZKNCSA-N -1 3 350.850 3.208 20 0 FGADHM CC(C)(C)c1ncsc1C(=O)OCc1cc(-c2nnn[n-]2)ccc1F ZINC000819971044 728958593 /nfs/dbraw/zinc/95/85/93/728958593.db2.gz CDZKNCIKRGMNPN-UHFFFAOYSA-N -1 3 361.402 3.117 20 0 FGADHM CC(C)(C)c1ncsc1C(=O)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000819971044 728958595 /nfs/dbraw/zinc/95/85/95/728958595.db2.gz CDZKNCIKRGMNPN-UHFFFAOYSA-N -1 3 361.402 3.117 20 0 FGADHM O=C(Nc1c([O-])cccc1Cl)[C@@H]1CC(c2cc(F)ccc2F)=NO1 ZINC000820510807 729000634 /nfs/dbraw/zinc/00/06/34/729000634.db2.gz RYHASTYVEBZOKA-AWEZNQCLSA-N -1 3 352.724 3.456 20 0 FGADHM COc1cccc(S([O-])=CC(=O)OCCSCc2ccccc2)c1 ZINC000821352670 729079614 /nfs/dbraw/zinc/07/96/14/729079614.db2.gz MBAQOSSLFSUDTM-XMMPIXPASA-N -1 3 364.488 3.279 20 0 FGADHM CCS[C@H]1CCC[C@H]1Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000821457218 729089093 /nfs/dbraw/zinc/08/90/93/729089093.db2.gz VLDSPOBDZHIGPT-ZJUUUORDSA-N -1 3 358.393 3.367 20 0 FGADHM CCS[C@H]1CCC[C@H]1Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000821457218 729089096 /nfs/dbraw/zinc/08/90/96/729089096.db2.gz VLDSPOBDZHIGPT-ZJUUUORDSA-N -1 3 358.393 3.367 20 0 FGADHM O=C(c1ccc(-c2nnn[n-]2)cc1)N(Cc1cccs1)CC(F)(F)F ZINC000823472400 729283911 /nfs/dbraw/zinc/28/39/11/729283911.db2.gz KTLZWWQKYFTENR-UHFFFAOYSA-N -1 3 367.356 3.133 20 0 FGADHM O=C(c1ccc(-c2nn[n-]n2)cc1)N(Cc1cccs1)CC(F)(F)F ZINC000823472400 729283913 /nfs/dbraw/zinc/28/39/13/729283913.db2.gz KTLZWWQKYFTENR-UHFFFAOYSA-N -1 3 367.356 3.133 20 0 FGADHM CC(=O)c1ccc(NC(=O)c2ccc(-c3nnn[n-]3)cc2C)cc1Cl ZINC000824024760 729316481 /nfs/dbraw/zinc/31/64/81/729316481.db2.gz OGHOIRBRGNNNIC-UHFFFAOYSA-N -1 3 355.785 3.283 20 0 FGADHM CC(=O)c1ccc(NC(=O)c2ccc(-c3nn[n-]n3)cc2C)cc1Cl ZINC000824024760 729316482 /nfs/dbraw/zinc/31/64/82/729316482.db2.gz OGHOIRBRGNNNIC-UHFFFAOYSA-N -1 3 355.785 3.283 20 0 FGADHM CC(C)CCNC(=O)[C@H](C)Sc1cccc(Cl)c1-c1nnn[n-]1 ZINC000824249583 729326848 /nfs/dbraw/zinc/32/68/48/729326848.db2.gz PPEYTODMOCKXSZ-JTQLQIEISA-N -1 3 353.879 3.163 20 0 FGADHM CC(C)CCNC(=O)[C@H](C)Sc1cccc(Cl)c1-c1nn[n-]n1 ZINC000824249583 729326849 /nfs/dbraw/zinc/32/68/49/729326849.db2.gz PPEYTODMOCKXSZ-JTQLQIEISA-N -1 3 353.879 3.163 20 0 FGADHM C[C@H]1CCC[C@H]1C(=O)Nc1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000824925567 729365331 /nfs/dbraw/zinc/36/53/31/729365331.db2.gz FHOWJZXUAMSRIA-GXFFZTMASA-N -1 3 354.439 3.365 20 0 FGADHM C[C@H]1CCC[C@H]1C(=O)Nc1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000824925567 729365333 /nfs/dbraw/zinc/36/53/33/729365333.db2.gz FHOWJZXUAMSRIA-GXFFZTMASA-N -1 3 354.439 3.365 20 0 FGADHM O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)c1cc(Cl)ncc1Cl ZINC000825305356 729377856 /nfs/dbraw/zinc/37/78/56/729377856.db2.gz XPSMCICPBGAYRC-UHFFFAOYSA-N -1 3 353.209 3.082 20 0 FGADHM CCCc1cnc(NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)s1 ZINC000825348630 729379949 /nfs/dbraw/zinc/37/99/49/729379949.db2.gz SSRJEEHXVVGLHD-JTQLQIEISA-N -1 3 357.443 3.158 20 0 FGADHM CCCc1cnc(NC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)s1 ZINC000825348630 729379951 /nfs/dbraw/zinc/37/99/51/729379951.db2.gz SSRJEEHXVVGLHD-JTQLQIEISA-N -1 3 357.443 3.158 20 0 FGADHM CCNc1ccc(Cl)cc1NC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000825481277 729384735 /nfs/dbraw/zinc/38/47/35/729384735.db2.gz VRMGXDIGERCTIO-UHFFFAOYSA-N -1 3 356.817 3.133 20 0 FGADHM CCNc1ccc(Cl)cc1NC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000825481277 729384737 /nfs/dbraw/zinc/38/47/37/729384737.db2.gz VRMGXDIGERCTIO-UHFFFAOYSA-N -1 3 356.817 3.133 20 0 FGADHM CCS[C@@H]1CCCC[C@H]1NC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000825668298 729390865 /nfs/dbraw/zinc/39/08/65/729390865.db2.gz DFQPFRIZLBIVRJ-ZIAGYGMSSA-N -1 3 365.890 3.314 20 0 FGADHM CCS[C@@H]1CCCC[C@H]1NC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000825668298 729390866 /nfs/dbraw/zinc/39/08/66/729390866.db2.gz DFQPFRIZLBIVRJ-ZIAGYGMSSA-N -1 3 365.890 3.314 20 0 FGADHM CCc1cccc(OCC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000825722723 729393045 /nfs/dbraw/zinc/39/30/45/729393045.db2.gz KTAXKMXFODHCLY-UHFFFAOYSA-N -1 3 357.801 3.100 20 0 FGADHM CCc1cccc(OCC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000825722723 729393046 /nfs/dbraw/zinc/39/30/46/729393046.db2.gz KTAXKMXFODHCLY-UHFFFAOYSA-N -1 3 357.801 3.100 20 0 FGADHM CO[C@@H]1CCC[C@@H]1Sc1nc(C)cc(C(F)(F)F)c1-c1nnn[n-]1 ZINC000826145185 729405998 /nfs/dbraw/zinc/40/59/98/729405998.db2.gz BFSNEBUDUGOUST-ZJUUUORDSA-N -1 3 359.377 3.249 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1CNc1cccc(Br)c1 ZINC000826170925 729406074 /nfs/dbraw/zinc/40/60/74/729406074.db2.gz 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FGADHM CC[C@@H](C)Oc1cccc(NC(=O)NCCNC(=O)c2ccc([O-])cc2)c1 ZINC000057484210 493767452 /nfs/dbraw/zinc/76/74/52/493767452.db2.gz OMUUFLVISUXQTQ-CQSZACIVSA-N -1 3 371.437 3.121 20 0 FGADHM COc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])cc1Cl ZINC000048015311 493772647 /nfs/dbraw/zinc/77/26/47/493772647.db2.gz UEDDIFXWIAKFSX-HNNXBMFYSA-N -1 3 374.824 3.298 20 0 FGADHM COc1ccccc1-c1nc(NC(=O)c2cccc(OC(F)F)c2)n[n-]1 ZINC000048012095 493773075 /nfs/dbraw/zinc/77/30/75/493773075.db2.gz ACJIHXZFZQXLJS-UHFFFAOYSA-N -1 3 360.320 3.334 20 0 FGADHM COC[C@@H]([N-]S(=O)(=O)c1ccc(OC(C)C)c(C)c1)c1ccc(C)o1 ZINC000080788692 493778726 /nfs/dbraw/zinc/77/87/26/493778726.db2.gz HSXMMMLWMGUHII-MRXNPFEDSA-N -1 3 367.467 3.350 20 0 FGADHM COC[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1)c1ccc(C)o1 ZINC000080788479 493778877 /nfs/dbraw/zinc/77/88/77/493778877.db2.gz AIFUIALEHLVGQG-CYBMUJFWSA-N -1 3 363.357 3.273 20 0 FGADHM O=C([N-]c1nnc(-c2ccccc2)s1)c1cn(Cc2ccccc2)nn1 ZINC000028283238 493784003 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CN(C)c1nc(-c2nc(-c3ccc(Cl)cc3Cl)no2)cc(=O)[n-]1 ZINC000580126783 505682429 /nfs/dbraw/zinc/68/24/29/505682429.db2.gz LDVWISYGUCNUMB-UHFFFAOYSA-N -1 3 352.181 3.272 20 0 FGADHM Cc1cc(N2CCN(C(=O)c3ccc(C)c(C)c3[O-])CC2)nc(C(C)C)n1 ZINC000048400645 493826585 /nfs/dbraw/zinc/82/65/85/493826585.db2.gz UKHBYPGVCFVGRD-UHFFFAOYSA-N -1 3 368.481 3.193 20 0 FGADHM Cc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)cc1Br ZINC000068600581 493846032 /nfs/dbraw/zinc/84/60/32/493846032.db2.gz RHFGPSNTQVGIRA-UHFFFAOYSA-N -1 3 374.194 3.285 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(NCc3c(C)cc(C)nc3OC)nc2)n1 ZINC000068699709 493859266 /nfs/dbraw/zinc/85/92/66/493859266.db2.gz VNPIWHCZUQAWJF-UHFFFAOYSA-N -1 3 365.437 3.027 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)COc3ccc(C)cc3)c2)n1 ZINC000049301995 493868523 /nfs/dbraw/zinc/86/85/23/493868523.db2.gz INEHEUMOINFKIX-UHFFFAOYSA-N -1 3 363.417 3.325 20 0 FGADHM O=C(CCC(=O)c1ccccc1)Nc1nc(-c2ccccc2Cl)n[n-]1 ZINC000076365743 493875762 /nfs/dbraw/zinc/87/57/62/493875762.db2.gz CGQQWPUPWOWLTG-UHFFFAOYSA-N -1 3 354.797 3.149 20 0 FGADHM CC1(C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)c(F)c3F)cc21 ZINC000049659752 493879397 /nfs/dbraw/zinc/87/93/97/493879397.db2.gz KIRPHBFJYMJSSS-UHFFFAOYSA-N -1 3 370.352 3.134 20 0 FGADHM O=C(CCNC(=O)c1cccs1)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000081459114 493898289 /nfs/dbraw/zinc/89/82/89/493898289.db2.gz IAZZJHLSTAFVKH-UHFFFAOYSA-N -1 3 358.341 3.231 20 0 FGADHM C[C@H](CN1CCC[C@H](C)C1)NC(=O)c1cc(Br)ccc1[O-] ZINC000059995697 493911733 /nfs/dbraw/zinc/91/17/33/493911733.db2.gz JWOYVMSDKXYFIQ-NWDGAFQWSA-N -1 3 355.276 3.005 20 0 FGADHM CC(=O)Nc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2F)ccc1F ZINC000076556587 493921613 /nfs/dbraw/zinc/92/16/13/493921613.db2.gz PXDVTHSVSPCKBP-UHFFFAOYSA-N -1 3 360.769 3.377 20 0 FGADHM C[C@@H](CC[N-]S(=O)(=O)c1cncc(Br)c1)c1ccccc1 ZINC000060394078 493931071 /nfs/dbraw/zinc/93/10/71/493931071.db2.gz YZITUPSKYMUPEF-LBPRGKRZSA-N -1 3 369.284 3.316 20 0 FGADHM CCOC(=O)c1ccc(OCc2nc(=O)c3c4c(sc3[n-]2)CCC4)cc1 ZINC000069199019 493934983 /nfs/dbraw/zinc/93/49/83/493934983.db2.gz KXKDNFVRJBMTLK-UHFFFAOYSA-N -1 3 370.430 3.229 20 0 FGADHM Cc1nc(C)c(CC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)c(=O)[n-]1 ZINC000031282628 493936515 /nfs/dbraw/zinc/93/65/15/493936515.db2.gz PJWYVEVEBMKGAU-FQEVSTJZSA-N -1 3 361.445 3.029 20 0 FGADHM O=S(=O)([N-]Cc1cccc2c1OCO2)c1cccc(Cl)c1Cl ZINC000060509090 493939847 /nfs/dbraw/zinc/93/98/47/493939847.db2.gz IMVGPPDUEGUJSJ-UHFFFAOYSA-N -1 3 360.218 3.201 20 0 FGADHM O=c1cc(-c2noc([C@H]3CCn4c(cnc4C4CCCCC4)C3)n2)nc[n-]1 ZINC000574082873 505689981 /nfs/dbraw/zinc/68/99/81/505689981.db2.gz UREGYNBICRBTIJ-ZDUSSCGKSA-N -1 3 366.425 3.206 20 0 FGADHM CCc1cccc(C(=O)N(C)Cc2ccccc2N2CCOCC2)c1[O-] ZINC000081709770 493944668 /nfs/dbraw/zinc/94/46/68/493944668.db2.gz HNAQOJSLZMRAGH-UHFFFAOYSA-N -1 3 354.450 3.063 20 0 FGADHM Cc1ccc(C(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)c(C)c1 ZINC000076920865 493988413 /nfs/dbraw/zinc/98/84/13/493988413.db2.gz DHVGCCLFXOTSBA-UHFFFAOYSA-N -1 3 362.426 3.136 20 0 FGADHM Cc1ccc(F)c(S(=O)(=O)[N-]Cc2ccnc(OC3CCCC3)c2)c1 ZINC000032436036 493989245 /nfs/dbraw/zinc/98/92/45/493989245.db2.gz FHDJYDULMMUYMV-UHFFFAOYSA-N -1 3 364.442 3.329 20 0 FGADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)c1ccc(Br)cc1 ZINC000007305854 494013505 /nfs/dbraw/zinc/01/35/05/494013505.db2.gz LMEBRQQSHQWRAP-QMMMGPOBSA-N -1 3 359.245 3.093 20 0 FGADHM O=S(=O)([N-]Cc1ccc2c(c1)OCO2)c1cccc(Cl)c1Cl ZINC000007307771 494014950 /nfs/dbraw/zinc/01/49/50/494014950.db2.gz GFIWVXBXTOXDGY-UHFFFAOYSA-N -1 3 360.218 3.201 20 0 FGADHM Cc1cc(C)[n-]c(=NNC(=O)N[C@@H](c2ccc(F)cc2)c2ccccn2)n1 ZINC000069878145 494024331 /nfs/dbraw/zinc/02/43/31/494024331.db2.gz ZWBKBGKRJOQGHU-KRWDZBQOSA-N -1 3 366.400 3.043 20 0 FGADHM C[C@@H]1CCCC[C@@H]1NC(=O)Cc1nc(=O)c2c3ccccc3sc2[n-]1 ZINC000077251852 494042873 /nfs/dbraw/zinc/04/28/73/494042873.db2.gz JIEAGGBNGTVTJV-YPMHNXCESA-N -1 3 355.463 3.375 20 0 FGADHM CCCc1nc(C)c(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)s1 ZINC000070849329 494061129 /nfs/dbraw/zinc/06/11/29/494061129.db2.gz VGZDISHUGDKFSF-UHFFFAOYSA-N -1 3 353.469 3.028 20 0 FGADHM O=S(=O)([N-][C@H]1CCSc2ccc(Cl)cc21)c1cncc(F)c1 ZINC000063519280 494062807 /nfs/dbraw/zinc/06/28/07/494062807.db2.gz VJJLPUCMTNAUBD-ZDUSSCGKSA-N -1 3 358.847 3.390 20 0 FGADHM CCC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000077351641 494064247 /nfs/dbraw/zinc/06/42/47/494064247.db2.gz SKNAQAANUCSNBQ-WFASDCNBSA-N -1 3 356.463 3.286 20 0 FGADHM CC(C)(C)OC(=O)CCC[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000033893815 494064334 /nfs/dbraw/zinc/06/43/34/494064334.db2.gz RKERXIKSFQYFBB-UHFFFAOYSA-N -1 3 368.282 3.394 20 0 FGADHM O=c1[nH]c2cccc([N-]S(=O)(=O)N3CCC4(CCCCC4)CC3)c2o1 ZINC000568456359 505697722 /nfs/dbraw/zinc/69/77/22/505697722.db2.gz DDPDZVGXFZICEO-UHFFFAOYSA-N -1 3 365.455 3.236 20 0 FGADHM CCC[C@@](C)([N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)OC ZINC000035248738 494073124 /nfs/dbraw/zinc/07/31/24/494073124.db2.gz XWWXFKKRGMIWMP-CYBMUJFWSA-N -1 3 354.255 3.004 20 0 FGADHM Cc1ccc(C(=O)N2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)c([O-])c1C ZINC000052900073 494074065 /nfs/dbraw/zinc/07/40/65/494074065.db2.gz OJANSHNMKYENFC-CQSZACIVSA-N -1 3 358.482 3.120 20 0 FGADHM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2cc(C(N)=O)ccc2F)c(C)c1C ZINC000084650672 494090490 /nfs/dbraw/zinc/09/04/90/494090490.db2.gz DPTYHONQWCYZOR-UHFFFAOYSA-N -1 3 364.442 3.268 20 0 FGADHM CS(=O)(=O)[N-]c1cc(NC(=O)CCc2ccc(Cl)cc2)ccc1F ZINC000036709947 494096838 /nfs/dbraw/zinc/09/68/38/494096838.db2.gz HCNSGGADLGCWIU-UHFFFAOYSA-N -1 3 370.833 3.422 20 0 FGADHM C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)c2c[n-]c3ccncc3c2=O)C1 ZINC000571292295 505700193 /nfs/dbraw/zinc/70/01/93/505700193.db2.gz HSRORMUZCAUWBC-KZULUSFZSA-N -1 3 351.381 3.286 20 0 FGADHM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2F)cc1 ZINC000064467802 494126181 /nfs/dbraw/zinc/12/61/81/494126181.db2.gz DUOSDAXFYRLAPN-UHFFFAOYSA-N -1 3 358.341 3.253 20 0 FGADHM CC[C@H](C)Oc1ccc(C(=O)N=c2[n-]n(C)cc2Br)cc1 ZINC000580198889 505701938 /nfs/dbraw/zinc/70/19/38/505701938.db2.gz TWJVUHPDZVWHBW-JTQLQIEISA-N -1 3 352.232 3.034 20 0 FGADHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(-n4ccnc4)cc3)c2)n1 ZINC000053469891 494135218 /nfs/dbraw/zinc/13/52/18/494135218.db2.gz HBKCBMJYCWIHLT-UHFFFAOYSA-N -1 3 371.400 3.183 20 0 FGADHM O=S(=O)([N-]Cc1ccc(OC(F)(F)F)cc1)c1ccc(F)c(F)c1 ZINC000010683454 494159499 /nfs/dbraw/zinc/15/94/99/494159499.db2.gz KUCKLDYGEPLLRW-UHFFFAOYSA-N -1 3 367.295 3.342 20 0 FGADHM O=S(=O)([N-]Cc1cccc(OC(F)F)c1)c1ccc(Cl)s1 ZINC000065265179 494184395 /nfs/dbraw/zinc/18/43/95/494184395.db2.gz PDPSXAKLPRXIAH-UHFFFAOYSA-N -1 3 353.799 3.481 20 0 FGADHM CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000072542696 494196949 /nfs/dbraw/zinc/19/69/49/494196949.db2.gz UGYRMZPGBZQQFT-UHFFFAOYSA-N -1 3 368.480 3.029 20 0 FGADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000072542696 494196952 /nfs/dbraw/zinc/19/69/52/494196952.db2.gz UGYRMZPGBZQQFT-UHFFFAOYSA-N -1 3 368.480 3.029 20 0 FGADHM C[C@@H](CC1CCCCC1)C(=O)Nc1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000072563573 494204540 /nfs/dbraw/zinc/20/45/40/494204540.db2.gz QYWZIKRBYOCBLT-RNODOKPDSA-N -1 3 357.454 3.286 20 0 FGADHM CCOC(=O)c1c(C2CC2)csc1[N-]C(=O)C(=O)N1CCCC[C@H]1C ZINC000072616344 494217536 /nfs/dbraw/zinc/21/75/36/494217536.db2.gz MESWZSZHOWZYLY-LLVKDONJSA-N -1 3 364.467 3.142 20 0 FGADHM Cc1c(C(=O)[N-]c2nnc(CC(C)C)s2)nnn1-c1cccc(C)c1 ZINC000054421249 494234340 /nfs/dbraw/zinc/23/43/40/494234340.db2.gz DRPZXCBNJIMQMN-UHFFFAOYSA-N -1 3 356.455 3.186 20 0 FGADHM C[C@@H](COCC(F)(F)F)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000065793860 494238130 /nfs/dbraw/zinc/23/81/30/494238130.db2.gz LRWQYDGGANWRPE-ZETCQYMHSA-N -1 3 366.188 3.239 20 0 FGADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)NC1CCC(c2ccccc2)CC1 ZINC000065788910 494238394 /nfs/dbraw/zinc/23/83/94/494238394.db2.gz WFUHNAFURQKBIT-UHFFFAOYSA-N -1 3 363.417 3.418 20 0 FGADHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(-n3cncn3)c(F)c2)c(C)c1 ZINC000065832648 494244737 /nfs/dbraw/zinc/24/47/37/494244737.db2.gz VJTYQHATRRXQNW-UHFFFAOYSA-N -1 3 360.414 3.132 20 0 FGADHM Cc1nc(C)c(CCC(=O)Nc2ccc(OC3CCCC3)c(F)c2)c(=O)[n-]1 ZINC000078233422 494258706 /nfs/dbraw/zinc/25/87/06/494258706.db2.gz LMGQUOVWJMXFOG-UHFFFAOYSA-N -1 3 373.428 3.419 20 0 FGADHM CN(C)[C@H](CNC(=O)c1ccc(Br)cc1[O-])c1cccs1 ZINC000066041843 494270850 /nfs/dbraw/zinc/27/08/50/494270850.db2.gz KVCTWVYLRZXHBV-GFCCVEGCSA-N -1 3 369.284 3.249 20 0 FGADHM COc1cccc(C(=O)NCc2cccc(NC(=O)C3CCC3)c2)c1[O-] ZINC000078382661 494289632 /nfs/dbraw/zinc/28/96/32/494289632.db2.gz QLRHVHGJIOMDHN-UHFFFAOYSA-N -1 3 354.406 3.069 20 0 FGADHM C[C@H](N1CCN(Cc2cc([O-])cc(C(F)(F)F)c2)CC1)C(F)(F)F ZINC000577360480 505712553 /nfs/dbraw/zinc/71/25/53/505712553.db2.gz FIWGZPOIALYBMY-JTQLQIEISA-N -1 3 356.310 3.479 20 0 FGADHM C[C@@H]1Oc2ccccc2[C@H]1[N-]S(=O)(=O)c1c[nH]c2nccc(Cl)c12 ZINC000580250805 505713074 /nfs/dbraw/zinc/71/30/74/505713074.db2.gz LFRZQKNYZCKQIT-VFZGTOFNSA-N -1 3 363.826 3.017 20 0 FGADHM Cc1ccc([O-])c(C(=O)N2CCC(NC(=O)Oc3ccccc3)CC2)c1 ZINC000066490708 494345174 /nfs/dbraw/zinc/34/51/74/494345174.db2.gz WAPVUHQSSZKLHN-UHFFFAOYSA-N -1 3 354.406 3.094 20 0 FGADHM Cc1c(C(=O)Nc2ccccc2[O-])nnn1-c1cccc(Br)c1 ZINC000055482108 494350634 /nfs/dbraw/zinc/35/06/34/494350634.db2.gz AGEJDQQDRFYNOD-UHFFFAOYSA-N -1 3 373.210 3.296 20 0 FGADHM O=S(=O)([N-]Cc1cnn(-c2ccccc2)c1)c1ccc(F)cc1Cl ZINC000044326010 494351074 /nfs/dbraw/zinc/35/10/74/494351074.db2.gz MEYRANKEWJFQGU-UHFFFAOYSA-N -1 3 365.817 3.143 20 0 FGADHM COc1ccc(NC(=O)Cc2nc(=O)c3c(CC(C)C)csc3[n-]2)cc1 ZINC000055501840 494353513 /nfs/dbraw/zinc/35/35/13/494353513.db2.gz NVCCQGXRBLOZKN-UHFFFAOYSA-N -1 3 371.462 3.373 20 0 FGADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]CC2(C)CCCC2)cc1Cl ZINC000066581135 494358614 /nfs/dbraw/zinc/35/86/14/494358614.db2.gz FJSUCKCXRURZEZ-UHFFFAOYSA-N -1 3 362.854 3.296 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)cc2C)cc1F ZINC000055586026 494367044 /nfs/dbraw/zinc/36/70/44/494367044.db2.gz BPHVOVGHSSXWCX-UHFFFAOYSA-N -1 3 364.442 3.080 20 0 FGADHM CNC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1 ZINC000015756107 494368178 /nfs/dbraw/zinc/36/81/78/494368178.db2.gz FMNDDROFPIMXOU-UHFFFAOYSA-N -1 3 359.234 3.154 20 0 FGADHM Cc1c(C(=O)Nc2ccc(C)cc2[O-])nnn1-c1cccc2cnccc21 ZINC000066619743 494369380 /nfs/dbraw/zinc/36/93/80/494369380.db2.gz FPMLPEMCUZAHHC-UHFFFAOYSA-N -1 3 359.389 3.390 20 0 FGADHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CCCCC[C@@H]1[C@H]1CCCCC1=O ZINC000568529765 505716580 /nfs/dbraw/zinc/71/65/80/505716580.db2.gz OWRJIJHXYLZRMJ-GDBMZVCRSA-N -1 3 357.454 3.204 20 0 FGADHM Cc1ccc([C@H]2OCCC[C@@H]2C(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000079380004 494442767 /nfs/dbraw/zinc/44/27/67/494442767.db2.gz ZFDKMEGJRLMMTL-ZWKOTPCHSA-N -1 3 363.421 3.282 20 0 FGADHM Cc1ccc([C@H]2OCCC[C@@H]2C(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000079380004 494442770 /nfs/dbraw/zinc/44/27/70/494442770.db2.gz ZFDKMEGJRLMMTL-ZWKOTPCHSA-N -1 3 363.421 3.282 20 0 FGADHM O=S(=O)([N-]Cc1ccnc(Oc2ccccc2)c1)c1ccccc1F ZINC000056063250 494449008 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O=C(N[C@H]1CCCOc2ccc(F)cc21)c1cc(=O)c2ccccc2[n-]1 ZINC000056192621 494468309 /nfs/dbraw/zinc/46/83/09/494468309.db2.gz FPMIEHSOKGVYAA-INIZCTEOSA-N -1 3 352.365 3.311 20 0 FGADHM O=C(N[C@@H]1CCCOc2ccc(F)cc21)c1cc(=O)c2ccccc2[n-]1 ZINC000056192620 494468481 /nfs/dbraw/zinc/46/84/81/494468481.db2.gz FPMIEHSOKGVYAA-MRXNPFEDSA-N -1 3 352.365 3.311 20 0 FGADHM NC(=O)c1csc(C(=O)[N-]c2nnc(-c3ccccc3Cl)s2)c1 ZINC000056249430 494476554 /nfs/dbraw/zinc/47/65/54/494476554.db2.gz SGAZCUDYOKWENT-UHFFFAOYSA-N -1 3 364.839 3.271 20 0 FGADHM COc1ccc([C@@H](CC(=O)Nc2cc(Cl)ccc2[O-])NC(C)=O)cc1 ZINC000067145599 494483713 /nfs/dbraw/zinc/48/37/13/494483713.db2.gz JJODOXRKMXHHTD-OAHLLOKOSA-N -1 3 362.813 3.260 20 0 FGADHM CC(C)[C@@H](C(=O)Nc1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1)c1ccccc1 ZINC000079566633 494484085 /nfs/dbraw/zinc/48/40/85/494484085.db2.gz YUEHKGDLRMJLDD-DYESRHJHSA-N -1 3 365.433 3.120 20 0 FGADHM Cc1noc(CCCNC(=O)c2cc(Cc3ccccc3)ccc2[O-])n1 ZINC000067178178 494490961 /nfs/dbraw/zinc/49/09/61/494490961.db2.gz ZZJRWTPEGLTWKE-UHFFFAOYSA-N -1 3 351.406 3.037 20 0 FGADHM CC[C@H](CC1CCCC1)C(=O)Nc1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000074504184 494548355 /nfs/dbraw/zinc/54/83/55/494548355.db2.gz ULQZAFCYSDBKSL-JLTOFOAXSA-N -1 3 357.454 3.286 20 0 FGADHM O=C(CCCc1nc(-c2ccc(Cl)cc2)no1)Nc1ncccc1[O-] ZINC000046670037 494550242 /nfs/dbraw/zinc/55/02/42/494550242.db2.gz RCBULJASRKXBOF-UHFFFAOYSA-N -1 3 358.785 3.452 20 0 FGADHM CCC(C)(CC)[N-]S(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1 ZINC000092309156 494591765 /nfs/dbraw/zinc/59/17/65/494591765.db2.gz SEWOAAPYTTWKBV-UHFFFAOYSA-N -1 3 374.572 3.310 20 0 FGADHM CCC(CC)c1n[n-]c(=NC(=O)N2CCN(C3CCC3)C[C@@H](C)C2)s1 ZINC000577452913 505730073 /nfs/dbraw/zinc/73/00/73/505730073.db2.gz QUCAENIPVFLUQJ-CYBMUJFWSA-N -1 3 365.547 3.202 20 0 FGADHM C[C@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)c1c[n-]c2ccccc2c1=O ZINC000080103073 494595506 /nfs/dbraw/zinc/59/55/06/494595506.db2.gz DASDQAHCQGEBKD-SRGMZFCMSA-N -1 3 368.458 3.099 20 0 FGADHM COc1cc(C)cc(C(=O)Nc2ccc(Cl)c(C[S@](C)=O)c2)c1[O-] ZINC000115724794 494604912 /nfs/dbraw/zinc/60/49/12/494604912.db2.gz JFCXRMRCRDZGNA-XMMPIXPASA-N -1 3 367.854 3.493 20 0 FGADHM C[C@@H](c1ccncc1)N1CCC(NC(=O)Cc2ccc([O-])cc2Cl)CC1 ZINC000121155301 494620824 /nfs/dbraw/zinc/62/08/24/494620824.db2.gz AWUXRRCFFHHOQM-AWEZNQCLSA-N -1 3 373.884 3.325 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)NC(C)C)cc2)cc1 ZINC000024426927 494627514 /nfs/dbraw/zinc/62/75/14/494627514.db2.gz GOWBVVSAVHGLSJ-UHFFFAOYSA-N -1 3 363.439 3.026 20 0 FGADHM COC(=O)C[C@H]([N-]S(=O)(=O)c1ccc(Cl)s1)c1cccs1 ZINC000024485631 494635694 /nfs/dbraw/zinc/63/56/94/494635694.db2.gz XTTRUKPFTNGZKM-QMMMGPOBSA-N -1 3 365.885 3.046 20 0 FGADHM O=S(=O)([N-]c1ccc(F)cc1Br)c1c[nH]c2ncccc12 ZINC000057118590 494644229 /nfs/dbraw/zinc/64/42/29/494644229.db2.gz VFOMUEMDXUKGFT-UHFFFAOYSA-N -1 3 370.203 3.265 20 0 FGADHM COC(=O)c1cc(S(=O)(=O)[N-][C@@H](C)c2cc(C)sc2C)oc1C ZINC000080254631 494654251 /nfs/dbraw/zinc/65/42/51/494654251.db2.gz 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CC(C)CC[C@H](C)NC(=O)[C@@H]([N-]S(=O)(=O)c1ccccc1F)C(C)C ZINC000025348325 494727852 /nfs/dbraw/zinc/72/78/52/494727852.db2.gz QWMHBJHMIWLECI-YOEHRIQHSA-N -1 3 372.506 3.070 20 0 FGADHM Cc1ccc2ncc(CN3CCC(C(=O)Nc4ccccc4[O-])CC3)n2c1 ZINC000121383709 494731394 /nfs/dbraw/zinc/73/13/94/494731394.db2.gz AOBHQQRDGPDUAJ-UHFFFAOYSA-N -1 3 364.449 3.199 20 0 FGADHM Cc1cc(S(=O)(=O)[N-][C@H](CCCO)c2ccccc2)c(F)cc1F ZINC000121399003 494738334 /nfs/dbraw/zinc/73/83/34/494738334.db2.gz ONHPZBXWRTUMCW-MRXNPFEDSA-N -1 3 355.406 3.065 20 0 FGADHM O=S(=O)([N-][C@H](CCCO)c1ccccc1)c1cccc2c1N=S=N2 ZINC000121402134 494740060 /nfs/dbraw/zinc/74/00/60/494740060.db2.gz UJZYPKZGRVMTPW-CYBMUJFWSA-N -1 3 363.464 3.205 20 0 FGADHM COc1cc(NC2CCN(C(=O)c3cc(C)ccc3[O-])CC2)cc(OC)c1 ZINC000080597734 494740930 /nfs/dbraw/zinc/74/09/30/494740930.db2.gz JPDAZEKPVSQYNE-UHFFFAOYSA-N -1 3 370.449 3.435 20 0 FGADHM Cc1ccc([C@H]2CCCN2C(=O)CCc2c(C)nc(C)[n-]c2=O)cc1C ZINC000068124283 494768895 /nfs/dbraw/zinc/76/88/95/494768895.db2.gz FCQHKKMUXBXBRI-LJQANCHMSA-N -1 3 353.466 3.300 20 0 FGADHM CC(C)c1ccccc1OCCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000121498788 494782150 /nfs/dbraw/zinc/78/21/50/494782150.db2.gz KXQNEZHBHCCFHM-UHFFFAOYSA-N -1 3 351.410 3.398 20 0 FGADHM CC(C)c1ccccc1OCCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000121498788 494782154 /nfs/dbraw/zinc/78/21/54/494782154.db2.gz KXQNEZHBHCCFHM-UHFFFAOYSA-N -1 3 351.410 3.398 20 0 FGADHM C[C@H](CC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)c1cccc(F)c1 ZINC000116442614 494787782 /nfs/dbraw/zinc/78/77/82/494787782.db2.gz QKBUIRFTQRAQQK-OAHLLOKOSA-N -1 3 370.424 3.010 20 0 FGADHM COC(=O)c1sc([N-]C(=O)c2cc(-c3cccc(F)c3)no2)nc1C ZINC000047903970 494790770 /nfs/dbraw/zinc/79/07/70/494790770.db2.gz NADRJKUNSDLMLB-UHFFFAOYSA-N -1 3 361.354 3.285 20 0 FGADHM O=S(=O)([N-]C[C@H]1CCOc2ccccc21)c1cc(F)ccc1Cl ZINC000108875008 494797954 /nfs/dbraw/zinc/79/79/54/494797954.db2.gz HUNVWSAMPNKNGN-LLVKDONJSA-N -1 3 355.818 3.324 20 0 FGADHM Cc1nc(C)c(CCC(=O)N2CCC[C@H]2c2ccc(Cl)cc2)c(=O)[n-]1 ZINC000075633793 494806233 /nfs/dbraw/zinc/80/62/33/494806233.db2.gz OWULEZBZKFIXBM-KRWDZBQOSA-N -1 3 359.857 3.336 20 0 FGADHM Cc1nccn1-c1ccccc1C[N-]S(=O)(=O)c1cccc(C)c1F ZINC000574307277 505743489 /nfs/dbraw/zinc/74/34/89/505743489.db2.gz XVVKNTHTIJVHAC-UHFFFAOYSA-N -1 3 359.426 3.107 20 0 FGADHM COc1ccc([O-])c(C(=O)Nc2ccc(-c3nnc4n3CCCC4)cc2)c1 ZINC000108982307 494816431 /nfs/dbraw/zinc/81/64/31/494816431.db2.gz SMJTZFTVBKYPED-UHFFFAOYSA-N -1 3 364.405 3.248 20 0 FGADHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cn(C)nc3C(C)(C)C)c2)n1 ZINC000092238508 494817507 /nfs/dbraw/zinc/81/75/07/494817507.db2.gz NXWUGSOVGLSUKV-UHFFFAOYSA-N -1 3 365.437 3.029 20 0 FGADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(F)c(F)c2F)cc1OC ZINC000026528565 494829902 /nfs/dbraw/zinc/82/99/02/494829902.db2.gz ZRCAXHRCIFBLRJ-UHFFFAOYSA-N -1 3 361.341 3.230 20 0 FGADHM CCC(CC)n1nccc1C(=O)Nc1cc(C)ccc1[N-]S(C)(=O)=O ZINC000126763072 494834206 /nfs/dbraw/zinc/83/42/06/494834206.db2.gz RWRHDBIMBOCPRP-UHFFFAOYSA-N -1 3 364.471 3.176 20 0 FGADHM Cn1ncc2c1CCC[C@@H]2[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000026850099 494841262 /nfs/dbraw/zinc/84/12/62/494841262.db2.gz RQYANYWDYHBHPU-LBPRGKRZSA-N -1 3 360.266 3.083 20 0 FGADHM O=S(=O)([N-]C[C@H]1Cc2ccccc2O1)c1cc(Cl)cc(Cl)c1 ZINC000026866649 494842093 /nfs/dbraw/zinc/84/20/93/494842093.db2.gz GOARQEDXIUTOLD-CYBMUJFWSA-N -1 3 358.246 3.275 20 0 FGADHM Cc1nn(C)c(C)c1C[C@@H](C)[N-]S(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000121793774 494861570 /nfs/dbraw/zinc/86/15/70/494861570.db2.gz WYIRNKQLQUSEQS-SNVBAGLBSA-N -1 3 373.881 3.047 20 0 FGADHM CC[C@@H](C)[C@H](C(=O)NCCNC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000116975193 494878298 /nfs/dbraw/zinc/87/82/98/494878298.db2.gz YOKSHJQPNMCEKG-BEFAXECRSA-N -1 3 354.450 3.068 20 0 FGADHM O=S(=O)([N-]C[C@H]1CCC[C@@H](O)C1)c1cc2cc(Cl)ccc2s1 ZINC000121866205 494878513 /nfs/dbraw/zinc/87/85/13/494878513.db2.gz XACRMQAEJBBEJF-GXFFZTMASA-N -1 3 359.900 3.384 20 0 FGADHM CC(C)c1ccc(NC(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)cc1 ZINC000027637474 494878758 /nfs/dbraw/zinc/87/87/58/494878758.db2.gz QBLKMNKGCBUNRV-ZDUSSCGKSA-N -1 3 364.442 3.255 20 0 FGADHM Cc1cc(Cl)cc(NC(=O)CCN2C(=O)COc3ccccc32)c1[O-] ZINC000116980726 494879278 /nfs/dbraw/zinc/87/92/78/494879278.db2.gz DAOZZGUJJMTNCK-UHFFFAOYSA-N -1 3 360.797 3.108 20 0 FGADHM Cc1cc(Cl)cc(NC(=O)CNC(=O)c2ccc3c(c2)CCC3)c1[O-] ZINC000116980186 494879642 /nfs/dbraw/zinc/87/96/42/494879642.db2.gz CEKJGQIJXPNMBE-UHFFFAOYSA-N -1 3 358.825 3.211 20 0 FGADHM CCc1c(C(=O)Nc2n[n-]c(-c3ccccc3OC)n2)[nH]c(C)c1C(C)=O ZINC000109567278 494891334 /nfs/dbraw/zinc/89/13/34/494891334.db2.gz OSTRKLDBJIUVQK-UHFFFAOYSA-N -1 3 367.409 3.134 20 0 FGADHM C[C@@H](Sc1n[n-]c(-c2ccccn2)n1)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000117113712 494891694 /nfs/dbraw/zinc/89/16/94/494891694.db2.gz VUQPZCRLBCSFMI-NWDGAFQWSA-N -1 3 371.441 3.364 20 0 FGADHM C[C@@H](NC(=O)[C@H](C)Sc1n[n-]c(-c2ccccn2)n1)c1ccc(F)cc1 ZINC000117113724 494891806 /nfs/dbraw/zinc/89/18/06/494891806.db2.gz VUQPZCRLBCSFMI-NEPJUHHUSA-N -1 3 371.441 3.364 20 0 FGADHM O=C(CSc1n[n-]c(-c2ccccn2)n1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000117113627 494892209 /nfs/dbraw/zinc/89/22/09/494892209.db2.gz KCTXMQWLTWGNMX-HIFRSBDPSA-N -1 3 357.483 3.140 20 0 FGADHM O=C1[C@H](Sc2n[n-]c(-c3ccccn3)n2)CCN1c1ccccc1Cl ZINC000117112669 494892321 /nfs/dbraw/zinc/89/23/21/494892321.db2.gz UZFMWZOTSOLHBW-CQSZACIVSA-N -1 3 371.853 3.418 20 0 FGADHM CC(C)[C@H](Sc1n[n-]c(-c2ccccn2)n1)C(=O)N1CCC[C@@H](C)C1 ZINC000117114474 494892413 /nfs/dbraw/zinc/89/24/13/494892413.db2.gz BXJHVWQKQPJZGF-HIFRSBDPSA-N -1 3 359.499 3.242 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2cccc(Cn3cccn3)c2)c(C)c1C ZINC000117228051 494901948 /nfs/dbraw/zinc/90/19/48/494901948.db2.gz LAXQXSDBAQONTO-UHFFFAOYSA-N -1 3 371.462 3.358 20 0 FGADHM CCc1ncc(NC(=O)c2c[n-]nc2-c2cccc(OC(F)F)c2)cn1 ZINC000127223814 494912741 /nfs/dbraw/zinc/91/27/41/494912741.db2.gz ZUCOVWZYEGOOFQ-UHFFFAOYSA-N -1 3 359.336 3.283 20 0 FGADHM CCc1ncc(NC(=O)c2cn[n-]c2-c2cccc(OC(F)F)c2)cn1 ZINC000127223814 494912746 /nfs/dbraw/zinc/91/27/46/494912746.db2.gz ZUCOVWZYEGOOFQ-UHFFFAOYSA-N -1 3 359.336 3.283 20 0 FGADHM COC(=O)c1sc2[n-]c(CN3CCCC[C@@H]3C(C)C)nc(=O)c2c1C ZINC000117350501 494912882 /nfs/dbraw/zinc/91/28/82/494912882.db2.gz SHDNLVNUVUQRRH-GFCCVEGCSA-N -1 3 363.483 3.090 20 0 FGADHM Cc1cnn(Cc2cc(C(=O)Nc3ccc([O-])c(C(F)(F)F)c3)no2)c1 ZINC000132740802 494917122 /nfs/dbraw/zinc/91/71/22/494917122.db2.gz WQNYDHXQQWZAHS-UHFFFAOYSA-N -1 3 366.299 3.205 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](COCC(C)C)c2ccco2)c1 ZINC000122118705 494926547 /nfs/dbraw/zinc/92/65/47/494926547.db2.gz VLUJBZAQTOTZPU-INIZCTEOSA-N -1 3 360.410 3.087 20 0 FGADHM Cc1ccc([O-])c(CN2CCO[C@H](c3cccc(OC(F)F)c3)C2)n1 ZINC000093865376 494928540 /nfs/dbraw/zinc/92/85/40/494928540.db2.gz CTTBEKRNFNMCJC-KRWDZBQOSA-N -1 3 350.365 3.271 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N[C@@H](CCO)C3CCCCC3)c[n-]c12 ZINC000127335265 494930181 /nfs/dbraw/zinc/93/01/81/494930181.db2.gz ZGWSVORZTSAWOT-KRWDZBQOSA-N -1 3 360.429 3.037 20 0 FGADHM Cc1cnc([C@H]([N-]S(=O)(=O)Cc2ccc(F)cc2F)C2CC2)s1 ZINC000127351234 494932316 /nfs/dbraw/zinc/93/23/16/494932316.db2.gz VEPAEUJYYLXVMH-CQSZACIVSA-N -1 3 358.435 3.300 20 0 FGADHM CS(=O)(=O)c1ccc(F)c([N-]C(=O)c2cc3cc(F)ccc3o2)c1 ZINC000117578244 494932741 /nfs/dbraw/zinc/93/27/41/494932741.db2.gz PVFPOVNGBXLYHQ-UHFFFAOYSA-N -1 3 351.330 3.367 20 0 FGADHM CCc1ncc(NC(=O)c2n[n-]c(-c3ccccc3)c2Br)cn1 ZINC000127443018 494945498 /nfs/dbraw/zinc/94/54/98/494945498.db2.gz JKUADWDDOKNKBS-UHFFFAOYSA-N -1 3 372.226 3.444 20 0 FGADHM CCc1ncc(NC(=O)c2[n-]nc(-c3ccccc3)c2Br)cn1 ZINC000127443018 494945500 /nfs/dbraw/zinc/94/55/00/494945500.db2.gz JKUADWDDOKNKBS-UHFFFAOYSA-N -1 3 372.226 3.444 20 0 FGADHM CCc1ccc([O-])c(C(=O)NCCc2nc(-c3ccccn3)cs2)c1 ZINC000094125129 494952593 /nfs/dbraw/zinc/95/25/93/494952593.db2.gz FSECXCLWRUKETP-UHFFFAOYSA-N -1 3 353.447 3.446 20 0 FGADHM CCc1ccc([O-])c(C(=O)N[C@@H](c2noc(C)n2)c2ccccc2OC)c1 ZINC000094149324 494953886 /nfs/dbraw/zinc/95/38/86/494953886.db2.gz PDYINLWMBPUTAG-GOSISDBHSA-N -1 3 367.405 3.174 20 0 FGADHM CCc1ccc([O-])c(C(=O)Nc2cc(CN3CCOCC3)ccc2C)c1 ZINC000094162766 494955830 /nfs/dbraw/zinc/95/58/30/494955830.db2.gz XKAIWGOTMGIPRZ-UHFFFAOYSA-N -1 3 354.450 3.348 20 0 FGADHM CC(C)OC(=O)CSCc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000127542752 494959300 /nfs/dbraw/zinc/95/93/00/494959300.db2.gz RXSYZILNCMEXGE-UHFFFAOYSA-N -1 3 364.448 3.429 20 0 FGADHM COc1cccc(CS(=O)(=O)[N-][C@@H](c2nccs2)c2ccccc2)c1 ZINC000117918515 494963514 /nfs/dbraw/zinc/96/35/14/494963514.db2.gz WWCXEVNUZCZCFP-QGZVFWFLSA-N -1 3 374.487 3.361 20 0 FGADHM CC(C)CN(Cc1ccccc1F)C(=O)c1c[n-]c2ccncc2c1=O ZINC000580406629 505752729 /nfs/dbraw/zinc/75/27/29/505752729.db2.gz DQRUEJRUHUMQDE-UHFFFAOYSA-N -1 3 353.397 3.361 20 0 FGADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@H](C)COc3ccccc3)cc2)n1 ZINC000127639714 494975141 /nfs/dbraw/zinc/97/51/41/494975141.db2.gz ZXGQHIWQAAHSSK-CQSZACIVSA-N -1 3 363.417 3.399 20 0 FGADHM CC(C)(CO)[C@H](CNC(=O)NCc1ccc([O-])c(F)c1)c1ccccc1 ZINC000122464601 494979835 /nfs/dbraw/zinc/97/98/35/494979835.db2.gz DEKCLYDKMWYZDC-MRXNPFEDSA-N -1 3 360.429 3.133 20 0 FGADHM COc1ccc([O-])c(C(=O)Nc2ccc(Cc3nnc4ccccn43)cc2)c1 ZINC000110511055 494984726 /nfs/dbraw/zinc/98/47/26/494984726.db2.gz JQOQGPTZKQVYIS-UHFFFAOYSA-N -1 3 374.400 3.287 20 0 FGADHM COCCOc1c(Cl)cccc1N[C@H](C)C(=O)[N-]c1cc(C)no1 ZINC000127738531 494989584 /nfs/dbraw/zinc/98/95/84/494989584.db2.gz BKGBQWGZEQJLOQ-LLVKDONJSA-N -1 3 353.806 3.101 20 0 FGADHM O=c1[n-]c(CN2CCOc3cc(F)ccc32)nc2c3ccccc3oc21 ZINC000118408543 495000627 /nfs/dbraw/zinc/00/06/27/495000627.db2.gz QRXMADLBLKJLCE-UHFFFAOYSA-N -1 3 351.337 3.207 20 0 FGADHM CCCS(=O)(=O)[N-]c1cc(NC(=O)[C@H](C)CSC)c(F)cc1F ZINC000110688519 495000709 /nfs/dbraw/zinc/00/07/09/495000709.db2.gz BUTMFYLPCIQINE-SECBINFHSA-N -1 3 366.455 3.054 20 0 FGADHM COc1ccc(Cl)cc1NCCC(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000110699247 495001710 /nfs/dbraw/zinc/00/17/10/495001710.db2.gz YRUROUNBHJAIRJ-UHFFFAOYSA-N -1 3 361.789 3.167 20 0 FGADHM COc1ccc(Cl)cc1NCCC(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000110699247 495001715 /nfs/dbraw/zinc/00/17/15/495001715.db2.gz YRUROUNBHJAIRJ-UHFFFAOYSA-N -1 3 361.789 3.167 20 0 FGADHM COc1ccc(Cl)cc1NCCC(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000110699247 495001718 /nfs/dbraw/zinc/00/17/18/495001718.db2.gz YRUROUNBHJAIRJ-UHFFFAOYSA-N -1 3 361.789 3.167 20 0 FGADHM COc1ccccc1S(=O)(=O)[N-][C@@H](c1ccc(F)cc1)C(F)(F)F ZINC000118435399 495002234 /nfs/dbraw/zinc/00/22/34/495002234.db2.gz LCSUIAQQDLOWBF-AWEZNQCLSA-N -1 3 363.332 3.416 20 0 FGADHM CCCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)C[C@@H]2CCCCO2)c1 ZINC000122680402 495015247 /nfs/dbraw/zinc/01/52/47/495015247.db2.gz NHBFZYCBWJWTSO-ZDUSSCGKSA-N -1 3 374.890 3.389 20 0 FGADHM COc1ccc(OC(F)F)c(CNC(=O)c2c[n-]c3ccccc3c2=O)c1 ZINC000133499309 495021108 /nfs/dbraw/zinc/02/11/08/495021108.db2.gz XPHIPKAYPMMVOV-UHFFFAOYSA-N -1 3 374.343 3.068 20 0 FGADHM Cc1cnn(-c2ccc(S(=O)(=O)[N-]c3cc(F)ccc3F)cc2F)c1 ZINC000128021800 495032074 /nfs/dbraw/zinc/03/20/74/495032074.db2.gz NERMDDCUZVROSA-UHFFFAOYSA-N -1 3 367.352 3.399 20 0 FGADHM Cc1c(C(=O)NCc2ccc([O-])c(Br)c2)cnn1CC(C)C ZINC000128026108 495033107 /nfs/dbraw/zinc/03/31/07/495033107.db2.gz QUMWSFYHEKKPND-UHFFFAOYSA-N -1 3 366.259 3.246 20 0 FGADHM O=S(=O)([N-]Cc1ccn(-c2ccccc2)n1)c1ccc(Cl)s1 ZINC000097444587 495035947 /nfs/dbraw/zinc/03/59/47/495035947.db2.gz JVGNNKGBHYDQIF-UHFFFAOYSA-N -1 3 353.856 3.066 20 0 FGADHM CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)c1ccc(C)c(C)c1[O-] ZINC000133686530 495046819 /nfs/dbraw/zinc/04/68/19/495046819.db2.gz SADLGNBWCQDQEY-UHFFFAOYSA-N -1 3 354.450 3.373 20 0 FGADHM Cc1cccc(C(=O)N2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)c1[O-] ZINC000128161098 495053943 /nfs/dbraw/zinc/05/39/43/495053943.db2.gz YQNJDKDITRZOCJ-CYBMUJFWSA-N -1 3 373.840 3.240 20 0 FGADHM CCc1cc(=O)[n-]c(CN(C)Cc2cc(Br)ccc2F)n1 ZINC000119010169 495070084 /nfs/dbraw/zinc/07/00/84/495070084.db2.gz XRAADTVJKDJNPX-UHFFFAOYSA-N -1 3 354.223 3.278 20 0 FGADHM Cc1ccccc1CS(=O)(=O)[N-][C@H](C)c1noc(-c2ccccc2)n1 ZINC000128313167 495077894 /nfs/dbraw/zinc/07/78/94/495077894.db2.gz VRTNOVSRFLKDDX-CQSZACIVSA-N -1 3 357.435 3.226 20 0 FGADHM NC1(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)CCCCC1 ZINC000133917503 495080004 /nfs/dbraw/zinc/08/00/04/495080004.db2.gz HFBUPFXXRMHJRH-UHFFFAOYSA-N -1 3 373.478 3.088 20 0 FGADHM CN1C(=O)C[C@H](C(=O)Nc2cccc([O-])c2F)[C@@H]1c1cccc(Cl)c1 ZINC000128421213 495093904 /nfs/dbraw/zinc/09/39/04/495093904.db2.gz KXUZDBMWKVZEGC-SJCJKPOMSA-N -1 3 362.788 3.343 20 0 FGADHM Cc1cc(NC(=O)c2cccc3nn[n-]c32)nn1-c1cccc(Cl)c1 ZINC000119127314 495099133 /nfs/dbraw/zinc/09/91/33/495099133.db2.gz BJGZTRKTPUOIER-UHFFFAOYSA-N -1 3 352.785 3.358 20 0 FGADHM Cc1cc(NC(=O)c2cccc3[n-]nnc32)nn1-c1cccc(Cl)c1 ZINC000119127314 495099136 /nfs/dbraw/zinc/09/91/36/495099136.db2.gz BJGZTRKTPUOIER-UHFFFAOYSA-N -1 3 352.785 3.358 20 0 FGADHM Cc1cc(NC(=O)c2cccc3n[n-]nc32)nn1-c1cccc(Cl)c1 ZINC000119127314 495099137 /nfs/dbraw/zinc/09/91/37/495099137.db2.gz BJGZTRKTPUOIER-UHFFFAOYSA-N -1 3 352.785 3.358 20 0 FGADHM COc1ccc([O-])c(C(=O)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)c1 ZINC000101839962 495102278 /nfs/dbraw/zinc/10/22/78/495102278.db2.gz DXUVDGWERKQWHF-UHFFFAOYSA-N -1 3 372.396 3.031 20 0 FGADHM CC(C)c1cc(C(=O)N2CCS(=O)(=O)[C@H](C)[C@@H]2C)c([O-])c(C(C)C)c1 ZINC000128530444 495112120 /nfs/dbraw/zinc/11/21/20/495112120.db2.gz XJYMLLFAEUVQFR-UONOGXRCSA-N -1 3 367.511 3.287 20 0 FGADHM COC(=O)c1ncsc1S(=O)(=O)[N-]c1c(Cl)cccc1Cl ZINC000128530627 495112343 /nfs/dbraw/zinc/11/23/43/495112343.db2.gz CDIYKIFJHISHGT-UHFFFAOYSA-N -1 3 367.235 3.037 20 0 FGADHM COc1ccccc1[C@H](CNC(=O)c1c([O-])cccc1F)N1CCCC1 ZINC000119248745 495126582 /nfs/dbraw/zinc/12/65/82/495126582.db2.gz ATWBUHLCKKSIIJ-INIZCTEOSA-N -1 3 358.413 3.107 20 0 FGADHM COC(=O)c1cc(C(=O)[N-]c2nnc(-c3ccc(Cl)cc3)s2)ccn1 ZINC000134266865 495128314 /nfs/dbraw/zinc/12/83/14/495128314.db2.gz PFSAYXARYBOMJQ-UHFFFAOYSA-N -1 3 374.809 3.292 20 0 FGADHM CC(C)(C)c1ccc(C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)s1 ZINC000128723076 495141351 /nfs/dbraw/zinc/14/13/51/495141351.db2.gz HYHQTDZALBMTAZ-UHFFFAOYSA-N -1 3 372.490 3.349 20 0 FGADHM Cn1ccnc1-c1cc(NC(=O)Cc2cc(Cl)ccc2Cl)n[n-]1 ZINC000119378609 495154765 /nfs/dbraw/zinc/15/47/65/495154765.db2.gz DHMNDKVTPBYFTB-UHFFFAOYSA-N -1 3 350.209 3.298 20 0 FGADHM Cn1ccnc1-c1cc(NC(=O)Cc2cc(Cl)ccc2Cl)[n-]n1 ZINC000119378609 495154771 /nfs/dbraw/zinc/15/47/71/495154771.db2.gz DHMNDKVTPBYFTB-UHFFFAOYSA-N -1 3 350.209 3.298 20 0 FGADHM CC(C)(C)c1noc(CCCC(=O)Nc2n[n-]c(-c3ccccc3F)n2)n1 ZINC000102823721 495164720 /nfs/dbraw/zinc/16/47/20/495164720.db2.gz YLWRWGJQQOILDF-UHFFFAOYSA-N -1 3 372.404 3.253 20 0 FGADHM [O-]c1ccc(Br)c(CN2CCC[C@@H]2[C@H](O)C(F)(F)F)c1 ZINC000123737345 495178392 /nfs/dbraw/zinc/17/83/92/495178392.db2.gz WJBGMPPINFBSPO-NEPJUHHUSA-N -1 3 354.166 3.042 20 0 FGADHM CCOc1ccccc1C(=O)NCCCC(=O)Nc1cccc([O-])c1F ZINC000129033894 495186208 /nfs/dbraw/zinc/18/62/08/495186208.db2.gz JVPUQFIHBZLAMF-UHFFFAOYSA-N -1 3 360.385 3.079 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-][C@@H](c1nccs1)c1ccccc1 ZINC000119541307 495186642 /nfs/dbraw/zinc/18/66/42/495186642.db2.gz RAKIOPZQMGWXOS-CYBMUJFWSA-N -1 3 366.489 3.281 20 0 FGADHM CCCc1nc2ccccc2n1CCC(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000568741043 505767450 /nfs/dbraw/zinc/76/74/50/505767450.db2.gz XYEWBIJUWHCYJY-UHFFFAOYSA-N -1 3 366.347 3.155 20 0 FGADHM CCCc1nc2ccccc2n1CCC(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000568741043 505767453 /nfs/dbraw/zinc/76/74/53/505767453.db2.gz XYEWBIJUWHCYJY-UHFFFAOYSA-N -1 3 366.347 3.155 20 0 FGADHM CCCc1nc2ccccc2n1CCC(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000568741043 505767454 /nfs/dbraw/zinc/76/74/54/505767454.db2.gz XYEWBIJUWHCYJY-UHFFFAOYSA-N -1 3 366.347 3.155 20 0 FGADHM Cc1ccc(-c2nc(CC(=O)Nc3ccc(-c4nnn[n-]4)cc3)cs2)o1 ZINC000129240242 495216148 /nfs/dbraw/zinc/21/61/48/495216148.db2.gz PVQXGOUUVWOOGX-UHFFFAOYSA-N -1 3 366.406 3.073 20 0 FGADHM Cc1ccc(-c2nc(CC(=O)Nc3ccc(-c4nn[n-]n4)cc3)cs2)o1 ZINC000129240242 495216154 /nfs/dbraw/zinc/21/61/54/495216154.db2.gz PVQXGOUUVWOOGX-UHFFFAOYSA-N -1 3 366.406 3.073 20 0 FGADHM Clc1ccc(-n2cc(CSc3n[n-]c(-c4ccccn4)n3)nn2)cc1 ZINC000119679930 495217090 /nfs/dbraw/zinc/21/70/90/495217090.db2.gz VLUSHVPDNQDBSD-UHFFFAOYSA-N -1 3 369.841 3.393 20 0 FGADHM O=c1[n-]c(-c2cccc(-n3cccn3)n2)nc2cc(C(F)(F)F)ccc12 ZINC000129404058 495240774 /nfs/dbraw/zinc/24/07/74/495240774.db2.gz KMBYAXJKNRORPV-UHFFFAOYSA-N -1 3 357.295 3.190 20 0 FGADHM COc1ccc(C(=O)N(CCN(C)C)Cc2cccc(Cl)c2)c([O-])c1 ZINC000112821185 495244571 /nfs/dbraw/zinc/24/45/71/495244571.db2.gz JCAQYOHWVJVJRG-UHFFFAOYSA-N -1 3 362.857 3.258 20 0 FGADHM O=C(CCc1ccc(F)cc1)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000135055700 495245244 /nfs/dbraw/zinc/24/52/44/495245244.db2.gz VBYWEKTZEKTZQY-UHFFFAOYSA-N -1 3 370.424 3.341 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-][C@@H](C)c1cccc(N2CCCC2)c1 ZINC000124228311 495253923 /nfs/dbraw/zinc/25/39/23/495253923.db2.gz CAPDJUXSASYVDU-ZDUSSCGKSA-N -1 3 366.508 3.396 20 0 FGADHM Cc1ccc([C@@H](C)CNC(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)cc1 ZINC000129571927 495263912 /nfs/dbraw/zinc/26/39/12/495263912.db2.gz KNQCTTPPDJZLGW-ZDUSSCGKSA-N -1 3 364.442 3.039 20 0 FGADHM Cc1ccc(CCC2CCN(Cc3cc(=O)n4[n-]ccc4n3)CC2)cc1 ZINC000104097451 495268426 /nfs/dbraw/zinc/26/84/26/495268426.db2.gz KHSRAVSTGMZYMR-UHFFFAOYSA-N -1 3 350.466 3.176 20 0 FGADHM CC(C)n1cnnc1CNC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000104132601 495269524 /nfs/dbraw/zinc/26/95/24/495269524.db2.gz GSJOVVRRXMVFIK-UHFFFAOYSA-N -1 3 350.422 3.085 20 0 FGADHM O=C(Cc1ccccc1I)Nc1cccc([O-])c1F ZINC000129615941 495270400 /nfs/dbraw/zinc/27/04/00/495270400.db2.gz RJEYKKLLFYMCHC-UHFFFAOYSA-N -1 3 371.149 3.317 20 0 FGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]Cc3c(C)noc3C)s2)cs1 ZINC000119931600 495272310 /nfs/dbraw/zinc/27/23/10/495272310.db2.gz PRLPXVHPTNZXRM-UHFFFAOYSA-N -1 3 369.493 3.263 20 0 FGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]C[C@@H]3CCCCO3)s2)cs1 ZINC000119936158 495273067 /nfs/dbraw/zinc/27/30/67/495273067.db2.gz GDJXLQIXNWPECU-NSHDSACASA-N -1 3 358.510 3.027 20 0 FGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1cccc(Oc2nccs2)c1 ZINC000135355370 495281933 /nfs/dbraw/zinc/28/19/33/495281933.db2.gz GAAUAKMOSILZLU-UHFFFAOYSA-N -1 3 364.390 3.368 20 0 FGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1cccc(Oc2nccs2)c1 ZINC000135355370 495281939 /nfs/dbraw/zinc/28/19/39/495281939.db2.gz GAAUAKMOSILZLU-UHFFFAOYSA-N -1 3 364.390 3.368 20 0 FGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@@H](C)[C@@H](C)c1ccccc1 ZINC000124425810 495284930 /nfs/dbraw/zinc/28/49/30/495284930.db2.gz QUNDCSCGCGZVOF-NEPJUHHUSA-N -1 3 353.465 3.005 20 0 FGADHM CC(=O)N[C@H](CC(=O)Nc1ccc([O-])cc1F)c1ccc(F)cc1F ZINC000124527065 495302429 /nfs/dbraw/zinc/30/24/29/495302429.db2.gz SOKJTDOHVTVUPI-MRXNPFEDSA-N -1 3 352.312 3.016 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-][C@@H](c2nc(C3CC3)no2)C(C)C)c(F)c1 ZINC000104741601 495302556 /nfs/dbraw/zinc/30/25/56/495302556.db2.gz SSEHVHJNQXKTQC-CQSZACIVSA-N -1 3 353.419 3.070 20 0 FGADHM C[C@H]1C[C@@H]1c1ccc(CN(C(=O)c2ccc3c(c2)C(=O)[N-]C3=O)C2CC2)o1 ZINC000104847311 495309418 /nfs/dbraw/zinc/30/94/18/495309418.db2.gz ZBYJKZSMZWIBJO-ZBEGNZNMSA-N -1 3 364.401 3.091 20 0 FGADHM CCc1nc(CS(=O)(=O)c2nc(C)c(Cc3ccccc3)[n-]2)cs1 ZINC000113636859 495323805 /nfs/dbraw/zinc/32/38/05/495323805.db2.gz JHUNMMHIMBOQRB-UHFFFAOYSA-N -1 3 361.492 3.302 20 0 FGADHM CCc1nc(CS(=O)(=O)c2nc(Cc3ccccc3)c(C)[n-]2)cs1 ZINC000113636859 495323806 /nfs/dbraw/zinc/32/38/06/495323806.db2.gz JHUNMMHIMBOQRB-UHFFFAOYSA-N -1 3 361.492 3.302 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CC[C@H](Oc3cccc(Cl)c3)C2)c1 ZINC000124735943 495334889 /nfs/dbraw/zinc/33/48/89/495334889.db2.gz PVIKMEUGYFAQJA-INIZCTEOSA-N -1 3 374.824 3.298 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc4c(c3)ncn4C)c2)n1 ZINC000124800116 495345906 /nfs/dbraw/zinc/34/59/06/495345906.db2.gz SFDQVNRATSZKQB-UHFFFAOYSA-N -1 3 373.416 3.138 20 0 FGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2ccco2)cc1C(F)(F)F ZINC000130141983 495347435 /nfs/dbraw/zinc/34/74/35/495347435.db2.gz PFRYYBCVFXHNCD-UHFFFAOYSA-N -1 3 362.329 3.312 20 0 FGADHM O=C(Cc1ccc([O-])cc1Cl)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1 ZINC000136144523 495359354 /nfs/dbraw/zinc/35/93/54/495359354.db2.gz RARFPCQOKOBMBA-QGZVFWFLSA-N -1 3 374.824 3.344 20 0 FGADHM Cc1cc([N-]C(=O)[C@H](C)S(=O)(=O)Cc2ccc(C(C)C)cc2)on1 ZINC000105712751 495388395 /nfs/dbraw/zinc/38/83/95/495388395.db2.gz GXCLAGPMXSZINZ-ZDUSSCGKSA-N -1 3 350.440 3.048 20 0 FGADHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)cc1OC(F)F ZINC000114674237 495407319 /nfs/dbraw/zinc/40/73/19/495407319.db2.gz CXEJSBNPVMGJQS-UHFFFAOYSA-N -1 3 355.362 3.332 20 0 FGADHM Cc1ccsc1[C@H](CO)[N-]S(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000125224768 495408878 /nfs/dbraw/zinc/40/88/78/495408878.db2.gz SLNXATBXRKHLAP-LBPRGKRZSA-N -1 3 363.863 3.169 20 0 FGADHM C[C@@H](CC(=O)Nc1ccc(Cc2nnn[n-]2)cc1)Cc1cccc(F)c1 ZINC000120606132 495415672 /nfs/dbraw/zinc/41/56/72/495415672.db2.gz NOVLOICNFGNMEW-CYBMUJFWSA-N -1 3 353.401 3.137 20 0 FGADHM C[C@@H](CC(=O)Nc1ccc(Cc2nn[n-]n2)cc1)Cc1cccc(F)c1 ZINC000120606132 495415677 /nfs/dbraw/zinc/41/56/77/495415677.db2.gz NOVLOICNFGNMEW-CYBMUJFWSA-N -1 3 353.401 3.137 20 0 FGADHM COCCN(Cc1ccc(C)o1)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000125304480 495423848 /nfs/dbraw/zinc/42/38/48/495423848.db2.gz ZTPVPQOCEKIRKW-UHFFFAOYSA-N -1 3 367.405 3.219 20 0 FGADHM O=C([N-]c1nc(-c2ccsc2)ns1)c1cc(-n2cccn2)ccn1 ZINC000120653809 495427519 /nfs/dbraw/zinc/42/75/19/495427519.db2.gz INDNKAUALYZIFL-UHFFFAOYSA-N -1 3 354.420 3.100 20 0 FGADHM O=C(CCn1c(=O)oc2ccccc21)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000125345297 495429591 /nfs/dbraw/zinc/42/95/91/495429591.db2.gz SBVKCAZOVNHJEE-UHFFFAOYSA-N -1 3 366.295 3.348 20 0 FGADHM COC(=O)c1sc2[n-]c(CN3C[C@@H](C)CCC[C@@H]3C)nc(=O)c2c1C ZINC000125353221 495431608 /nfs/dbraw/zinc/43/16/08/495431608.db2.gz DVVBREXYHPXENR-QWRGUYRKSA-N -1 3 363.483 3.090 20 0 FGADHM CC[C@H](C)c1ccc(C(=O)CSc2nnc3[n-]c(=O)c(C)nn32)cc1 ZINC000114860457 495436041 /nfs/dbraw/zinc/43/60/41/495436041.db2.gz OTWCXRQFDOJRMR-JTQLQIEISA-N -1 3 357.439 3.022 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc3n[nH]nc3c2)cc1C(F)(F)F ZINC000130757929 495440013 /nfs/dbraw/zinc/44/00/13/495440013.db2.gz PXEOPKNOYOGUEN-UHFFFAOYSA-N -1 3 356.329 3.086 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc3[nH]nnc3c2)cc1C(F)(F)F ZINC000130757929 495440017 /nfs/dbraw/zinc/44/00/17/495440017.db2.gz PXEOPKNOYOGUEN-UHFFFAOYSA-N -1 3 356.329 3.086 20 0 FGADHM O=S(=O)([N-]c1ccc2n[nH]nc2c1)c1ccc(OC(F)F)c(Cl)c1 ZINC000130804488 495448472 /nfs/dbraw/zinc/44/84/72/495448472.db2.gz ZBLLRMXSVMQXSL-UHFFFAOYSA-N -1 3 374.756 3.014 20 0 FGADHM O=S(=O)([N-]c1ccc2[nH]nnc2c1)c1ccc(OC(F)F)c(Cl)c1 ZINC000130804488 495448476 /nfs/dbraw/zinc/44/84/76/495448476.db2.gz ZBLLRMXSVMQXSL-UHFFFAOYSA-N -1 3 374.756 3.014 20 0 FGADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000120782904 495457293 /nfs/dbraw/zinc/45/72/93/495457293.db2.gz UHUXQYCTUUTUGZ-UHFFFAOYSA-N -1 3 372.432 3.403 20 0 FGADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000120782904 495457295 /nfs/dbraw/zinc/45/72/95/495457295.db2.gz UHUXQYCTUUTUGZ-UHFFFAOYSA-N -1 3 372.432 3.403 20 0 FGADHM Cn1ccnc1-c1csc([N-]C(=O)c2cc(-c3ccccc3)on2)n1 ZINC000125547319 495461347 /nfs/dbraw/zinc/46/13/47/495461347.db2.gz MRIUFVSOJAEJFJ-UHFFFAOYSA-N -1 3 351.391 3.451 20 0 FGADHM CCc1cc(=O)[n-]c(CS[C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)n1 ZINC000125598073 495468785 /nfs/dbraw/zinc/46/87/85/495468785.db2.gz JYLKBDHJRSSCCD-STQMWFEESA-N -1 3 357.479 3.344 20 0 FGADHM Cc1nn(-c2ccc(Cl)cc2)cc1CNc1ccc2c(c1)C(=O)[N-]C2=O ZINC000568831748 505787330 /nfs/dbraw/zinc/78/73/30/505787330.db2.gz SCMNBXGLPSNCSQ-UHFFFAOYSA-N -1 3 366.808 3.330 20 0 FGADHM O=S(=O)([N-]C[C@H]1CCCS1)c1ccc(Br)cc1Cl ZINC000125682190 495481917 /nfs/dbraw/zinc/48/19/17/495481917.db2.gz CUUHMOQHBPVSJV-SECBINFHSA-N -1 3 370.721 3.276 20 0 FGADHM O=S(=O)([N-]CCCOCC(F)(F)F)c1cc(Cl)ccc1Cl ZINC000125686736 495483025 /nfs/dbraw/zinc/48/30/25/495483025.db2.gz SZQKVSSZGBLCKB-UHFFFAOYSA-N -1 3 366.188 3.241 20 0 FGADHM Cc1ccc([O-])c(C(=O)Nc2cccc(C[S@](=O)C3CCOCC3)c2)c1 ZINC000115289913 495485698 /nfs/dbraw/zinc/48/56/98/495485698.db2.gz KCZHDKWLGQRLAV-AREMUKBSSA-N -1 3 373.474 3.381 20 0 FGADHM Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000106722448 495489412 /nfs/dbraw/zinc/48/94/12/495489412.db2.gz LICGSFAWEKXMBD-UHFFFAOYSA-N -1 3 373.883 3.161 20 0 FGADHM CCc1cc(=O)[n-]c(CSCC(=O)N(Cc2ccc(C)cc2)C2CC2)n1 ZINC000125747812 495492094 /nfs/dbraw/zinc/49/20/94/495492094.db2.gz IRDKUJFYGIZPEP-UHFFFAOYSA-N -1 3 371.506 3.477 20 0 FGADHM O=C(c1c([O-])cccc1O)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000125785424 495499210 /nfs/dbraw/zinc/49/92/10/495499210.db2.gz WTWLMCNTOYWRNW-SFHVURJKSA-N -1 3 361.825 3.337 20 0 FGADHM CCCC[C@@H](CCC)CNC(=O)Nc1ccc(C[C@@H]2NC(=O)[N-]C2=O)cc1 ZINC000120997994 495500105 /nfs/dbraw/zinc/50/01/05/495500105.db2.gz DIXYUIGHAHIYNZ-WBVHZDCISA-N -1 3 374.485 3.165 20 0 FGADHM C[C@H](O)[C@@H]1CCCCN1Cc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000106863575 495502328 /nfs/dbraw/zinc/50/23/28/495502328.db2.gz HGXFUFLOPGOMNR-BBRMVZONSA-N -1 3 369.490 3.387 20 0 FGADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1[nH]c2ccc(Cl)cc2c1Cl ZINC000131178150 495502309 /nfs/dbraw/zinc/50/23/09/495502309.db2.gz BWLCIEKYZBLFSS-UHFFFAOYSA-N -1 3 353.165 3.237 20 0 FGADHM COC(=O)c1ccc(C(=O)[N-]c2nnc(-c3cc(C)cc(C)c3)s2)nc1 ZINC000115458450 495506931 /nfs/dbraw/zinc/50/69/31/495506931.db2.gz PMBMLSKGXXQIOA-UHFFFAOYSA-N -1 3 368.418 3.256 20 0 FGADHM O=C(Nc1cc(F)c(F)cc1F)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000182385430 495541682 /nfs/dbraw/zinc/54/16/82/495541682.db2.gz DZPZBHHGGFCFCC-OAHLLOKOSA-N -1 3 364.323 3.053 20 0 FGADHM CCOc1cc(Cl)ccc1C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000182408474 495552910 /nfs/dbraw/zinc/55/29/10/495552910.db2.gz WGVLNYRQCBKZJT-UHFFFAOYSA-N -1 3 357.801 3.095 20 0 FGADHM CCOc1cc(Cl)ccc1C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000182408474 495552913 /nfs/dbraw/zinc/55/29/13/495552913.db2.gz WGVLNYRQCBKZJT-UHFFFAOYSA-N -1 3 357.801 3.095 20 0 FGADHM COCc1c(C(=O)[N-]c2nnc(C(C)(C)C)s2)cnn1-c1ccccc1 ZINC000185453378 495583195 /nfs/dbraw/zinc/58/31/95/495583195.db2.gz JAPIOARURHZLBC-UHFFFAOYSA-N -1 3 371.466 3.420 20 0 FGADHM Cc1cc(F)ccc1CCNC(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000158768711 495584923 /nfs/dbraw/zinc/58/49/23/495584923.db2.gz AHEIPSRANQHDFF-UHFFFAOYSA-N -1 3 356.372 3.396 20 0 FGADHM CCc1cc(=O)c2cc([N-]S(=O)(=O)c3ccc(F)cc3C)ccc2[nH]1 ZINC000182499981 495588242 /nfs/dbraw/zinc/58/82/42/495588242.db2.gz RSTVRCFTHGGSGL-UHFFFAOYSA-N -1 3 360.410 3.339 20 0 FGADHM COc1cccc(F)c1[C@H](C)[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000173596151 495604612 /nfs/dbraw/zinc/60/46/12/495604612.db2.gz SUTWNXFXHMSDSQ-QMMMGPOBSA-N -1 3 363.332 3.291 20 0 FGADHM CCC[C@H](NCc1cc([O-])cc(F)c1)C(=O)N1CCc2sccc2C1 ZINC000185510150 495604701 /nfs/dbraw/zinc/60/47/01/495604701.db2.gz CZYVGFKAQIIOCS-KRWDZBQOSA-N -1 3 362.470 3.436 20 0 FGADHM COc1ccccc1N1CCC(NC(=O)c2ccc(C)c(C)c2[O-])CC1 ZINC000150250586 495608362 /nfs/dbraw/zinc/60/83/62/495608362.db2.gz TVDBYFHWYBQLEQ-UHFFFAOYSA-N -1 3 354.450 3.416 20 0 FGADHM Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)[N-]c1nncn1C ZINC000159008922 495636460 /nfs/dbraw/zinc/63/64/60/495636460.db2.gz LZJOEJUXZHUNJO-UHFFFAOYSA-N -1 3 352.181 3.338 20 0 FGADHM Cc1cccc([O-])c1NC(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000179554286 495639588 /nfs/dbraw/zinc/63/95/88/495639588.db2.gz HUIHOCJCHJIMQU-OAHLLOKOSA-N -1 3 356.397 3.331 20 0 FGADHM COc1cc(C(=O)Nc2cc(C)n(-c3ccc(C)cc3)n2)cc(OC)c1[O-] ZINC000182636750 495645223 /nfs/dbraw/zinc/64/52/23/495645223.db2.gz LEDNRPMAKSJCNN-UHFFFAOYSA-N -1 3 367.405 3.464 20 0 FGADHM O=C(CNC(=O)CC1CCCCC1)Nc1cc(Br)ccc1[O-] ZINC000176432769 495649408 /nfs/dbraw/zinc/64/94/08/495649408.db2.gz POVRGKBGGFUKQO-UHFFFAOYSA-N -1 3 369.259 3.180 20 0 FGADHM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2C[S@@](C)=O)c(C)c1 ZINC000185648917 495662099 /nfs/dbraw/zinc/66/20/99/495662099.db2.gz BBKCGCSTXPRNLX-HSZRJFAPSA-N -1 3 367.492 3.073 20 0 FGADHM O=S(=O)([N-][C@H](c1ccccc1)[C@@H]1CCCO1)c1ccc(F)c(F)c1 ZINC000171042007 495699855 /nfs/dbraw/zinc/69/98/55/495699855.db2.gz BDLJIFSHOSILEX-DLBZAZTESA-N -1 3 353.390 3.163 20 0 FGADHM O=C1Cc2cc(S(=O)(=O)[N-]c3cc(C(F)(F)F)ccc3F)ccc2N1 ZINC000171090691 495719898 /nfs/dbraw/zinc/71/98/98/495719898.db2.gz MXWKCYPGOKFLHX-UHFFFAOYSA-N -1 3 374.315 3.140 20 0 FGADHM CC(C)COC[C@@H]([N-]S(=O)(=O)Cc1ccc(F)cc1)c1ccco1 ZINC000171101408 495724814 /nfs/dbraw/zinc/72/48/14/495724814.db2.gz YUPHCVAUYJUBFZ-MRXNPFEDSA-N -1 3 355.431 3.252 20 0 FGADHM O=C(c1c[n-]c2c(F)cc(F)cc2c1=O)N1CCSC[C@@H]1C1CCC1 ZINC000577830620 505799889 /nfs/dbraw/zinc/79/98/89/505799889.db2.gz KXXSVTFHOJLDPX-OAHLLOKOSA-N -1 3 364.417 3.164 20 0 FGADHM Cc1ccc([O-])c(C(=O)N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)c1 ZINC000182863535 495732278 /nfs/dbraw/zinc/73/22/78/495732278.db2.gz QIRZQLOKROXDOI-GFCCVEGCSA-N -1 3 353.344 3.393 20 0 FGADHM CC(=O)NCCCSCc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000171121914 495732746 /nfs/dbraw/zinc/73/27/46/495732746.db2.gz LYBSAKQKTKBPRT-UHFFFAOYSA-N -1 3 363.464 3.004 20 0 FGADHM CO[C@H](C)c1cccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])c1 ZINC000171130486 495735682 /nfs/dbraw/zinc/73/56/82/495735682.db2.gz KFFAYABDJMWOFL-KDOFPFPSSA-N -1 3 368.433 3.343 20 0 FGADHM CC(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000179804179 495739785 /nfs/dbraw/zinc/73/97/85/495739785.db2.gz LPDIPATXAYKGSV-KRWDZBQOSA-N -1 3 358.825 3.266 20 0 FGADHM CCS(=O)(=O)c1ccccc1C(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000179805775 495741207 /nfs/dbraw/zinc/74/12/07/495741207.db2.gz KXVDCNUUWDBCHJ-UHFFFAOYSA-N -1 3 353.827 3.400 20 0 FGADHM CC(C)Cn1cc(NC(=O)NCc2ccc([O-])c(Br)c2)cn1 ZINC000151114125 495741741 /nfs/dbraw/zinc/74/17/41/495741741.db2.gz FYQMBEGHDBXBFL-UHFFFAOYSA-N -1 3 367.247 3.329 20 0 FGADHM CC(C)(C)OC(=O)CCCCC[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000173931416 495752008 /nfs/dbraw/zinc/75/20/08/495752008.db2.gz YMHXNPRFUNQAGK-UHFFFAOYSA-N -1 3 363.426 3.145 20 0 FGADHM Cc1nc(C)c(S(=O)(=O)[N-][C@@H](C)c2cccc(N3CCCC3)c2)s1 ZINC000176701271 495753940 /nfs/dbraw/zinc/75/39/40/495753940.db2.gz GPYXELFEAGSRSR-LBPRGKRZSA-N -1 3 365.524 3.400 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2[C@H](C)CCC[C@H]2C)c1 ZINC000185864862 495755242 /nfs/dbraw/zinc/75/52/42/495755242.db2.gz FEPUXJHFWFPWJF-VXGBXAGGSA-N -1 3 357.410 3.344 20 0 FGADHM O=C([N-]c1nnc(/C=C/c2ccco2)s1)c1cnc(C(F)(F)F)nc1 ZINC000159594912 495766475 /nfs/dbraw/zinc/76/64/75/495766475.db2.gz UIEHUFKMGNKSNJ-ONEGZZNKSA-N -1 3 367.312 3.363 20 0 FGADHM CSCc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])cc1 ZINC000171213333 495772763 /nfs/dbraw/zinc/77/27/63/495772763.db2.gz BQORBFWMWAMRSO-KRWDZBQOSA-N -1 3 370.474 3.499 20 0 FGADHM Cc1ccc([O-])c(C(=O)N2CCC(n3ccc(C(F)(F)F)n3)CC2)c1 ZINC000179907067 495777866 /nfs/dbraw/zinc/77/78/66/495777866.db2.gz WJMAQLBLDAJWLL-UHFFFAOYSA-N -1 3 353.344 3.393 20 0 FGADHM C[C@H](CC(=O)NCCCNC(=O)c1cccc([O-])c1)Cc1cccc(F)c1 ZINC000174068467 495809348 /nfs/dbraw/zinc/80/93/48/495809348.db2.gz OBXVEXNFZKTXSN-HNNXBMFYSA-N -1 3 372.440 3.036 20 0 FGADHM CO[C@@H](CS(=O)(=O)[N-]c1cccc(Br)c1Cl)C1CC1 ZINC000580646369 505805130 /nfs/dbraw/zinc/80/51/30/505805130.db2.gz HAFUXMKBWWEGAZ-NSHDSACASA-N -1 3 368.680 3.269 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)NCc2cc(C)ccc2OC(F)F)c1 ZINC000155039305 495812956 /nfs/dbraw/zinc/81/29/56/495812956.db2.gz YQXNYSMEQOHIEL-UHFFFAOYSA-N -1 3 364.348 3.190 20 0 FGADHM COc1ccc(C(=O)N(CCO)Cc2ccc(Cl)c(Cl)c2)c([O-])c1 ZINC000180033093 495831815 /nfs/dbraw/zinc/83/18/15/495831815.db2.gz ZSAIZYUMMVLRBR-UHFFFAOYSA-N -1 3 370.232 3.342 20 0 FGADHM O=C(NCCc1nnc(-c2ccccc2)o1)c1ccc2c(c1[O-])CCCC2 ZINC000183127965 495845769 /nfs/dbraw/zinc/84/57/69/495845769.db2.gz CXRBGINKZFGNNF-UHFFFAOYSA-N -1 3 363.417 3.294 20 0 FGADHM O=C(NCc1ccc([O-])c(Br)c1)c1ccc(-n2cccn2)cc1 ZINC000151516538 495863891 /nfs/dbraw/zinc/86/38/91/495863891.db2.gz LFPOJNHEVIRBKE-UHFFFAOYSA-N -1 3 372.222 3.270 20 0 FGADHM CC(C)(C)c1cc(C(=O)NCc2ccc([O-])c(Br)c2)no1 ZINC000151525396 495867154 /nfs/dbraw/zinc/86/71/54/495867154.db2.gz WJMMYIHSUYWVLX-UHFFFAOYSA-N -1 3 353.216 3.370 20 0 FGADHM O=C(Cc1cc(F)ccc1F)NCc1ccc([O-])c(Br)c1 ZINC000151532379 495869314 /nfs/dbraw/zinc/86/93/14/495869314.db2.gz OIAXOTCQQMYICU-UHFFFAOYSA-N -1 3 356.166 3.292 20 0 FGADHM O=C(NCc1ccc([O-])c(Br)c1)c1csc(C2CC2)n1 ZINC000151539171 495871787 /nfs/dbraw/zinc/87/17/87/495871787.db2.gz PHWDUSGLXNTCGV-UHFFFAOYSA-N -1 3 353.241 3.419 20 0 FGADHM C[C@@H](Oc1ccccc1)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000151565128 495879911 /nfs/dbraw/zinc/87/99/11/495879911.db2.gz ISDCNMWUPLBSIA-LLVKDONJSA-N -1 3 350.212 3.238 20 0 FGADHM CCOc1cccc(CNC(=O)/N=c2\cc[n-]n2C(C)C)c1OC(F)F ZINC000177008658 495881407 /nfs/dbraw/zinc/88/14/07/495881407.db2.gz UWGLCJANNWIBAZ-HYARGMPZSA-N -1 3 368.384 3.208 20 0 FGADHM CCCCc1nnc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)s1 ZINC000155262639 495895518 /nfs/dbraw/zinc/89/55/18/495895518.db2.gz HVNIKXRYCCUSRP-UHFFFAOYSA-N -1 3 360.414 3.422 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-]Cc1cc(Br)cs1 ZINC000155288971 495906409 /nfs/dbraw/zinc/90/64/09/495906409.db2.gz YNTOIUHNOUCYKK-UHFFFAOYSA-N -1 3 368.299 3.059 20 0 FGADHM CC(C)[C@@H](C(=O)Nc1ccc([O-])cc1F)n1nnc(-c2ccccc2)n1 ZINC000183274883 495911971 /nfs/dbraw/zinc/91/19/71/495911971.db2.gz JHKHKNRJLRSQEO-INIZCTEOSA-N -1 3 355.373 3.021 20 0 FGADHM C[C@H]1CCN(C(=O)c2ccc(=O)n(-c3ccccc3)n2)c2c([O-])cccc21 ZINC000186290740 495930155 /nfs/dbraw/zinc/93/01/55/495930155.db2.gz WNPIGWKOQZALFE-AWEZNQCLSA-N -1 3 361.401 3.092 20 0 FGADHM COc1cc(OC)cc(S(=O)(=O)[N-]c2cncc(Cl)c2Cl)c1 ZINC000180290928 495938510 /nfs/dbraw/zinc/93/85/10/495938510.db2.gz WOCQKOUBVCPPPY-UHFFFAOYSA-N -1 3 363.222 3.206 20 0 FGADHM COc1ccc(C(=O)N2CCO[C@@H](c3ccc(F)cc3Cl)C2)c([O-])c1 ZINC000186314651 495944768 /nfs/dbraw/zinc/94/47/68/495944768.db2.gz YNBFFGOYTQSGND-QGZVFWFLSA-N -1 3 365.788 3.407 20 0 FGADHM C[C@H]1CCN(C(=O)c2csc(S(C)(=O)=O)c2)c2c([O-])cccc21 ZINC000186343003 495957279 /nfs/dbraw/zinc/95/72/79/495957279.db2.gz DKGFCWWHYATPGO-JTQLQIEISA-N -1 3 351.449 3.011 20 0 FGADHM CS(=O)(=O)c1ccc(Cl)c([N-]C(=O)c2ccc(F)c(F)c2F)c1 ZINC000151812367 495957288 /nfs/dbraw/zinc/95/72/88/495957288.db2.gz BXLHKFWBHUIQOK-UHFFFAOYSA-N -1 3 363.744 3.413 20 0 FGADHM CC(C)(C)c1csc(C[N-]S(=O)(=O)c2cccc3cnccc32)n1 ZINC000171636845 495957830 /nfs/dbraw/zinc/95/78/30/495957830.db2.gz KSXFOBZMIMKLAD-UHFFFAOYSA-N -1 3 361.492 3.467 20 0 FGADHM COc1ccc(Cl)cc1CN1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000177179834 495963732 /nfs/dbraw/zinc/96/37/32/495963732.db2.gz VFCYFKAJTVPHDU-UHFFFAOYSA-N -1 3 360.841 3.012 20 0 FGADHM CC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)OC)co1)c1cccc(Cl)c1 ZINC000151839507 495965591 /nfs/dbraw/zinc/96/55/91/495965591.db2.gz YVUOGWKFFHURAA-CYBMUJFWSA-N -1 3 357.815 3.149 20 0 FGADHM CCc1ccc([O-])c(C(=O)N[C@H](c2nccn2C)c2cccc(F)c2)c1 ZINC000180361689 495966389 /nfs/dbraw/zinc/96/63/89/495966389.db2.gz ZPGUXVANOPEOBD-SFHVURJKSA-N -1 3 353.397 3.347 20 0 FGADHM Cc1nc([N-]C(=O)c2nc(-c3cccc(C(F)(F)F)c3)oc2C)n[nH]1 ZINC000183406664 495968787 /nfs/dbraw/zinc/96/87/87/495968787.db2.gz AOXFJSKCGNHLQF-UHFFFAOYSA-N -1 3 351.288 3.348 20 0 FGADHM CC(C)N1CC[C@H](Sc2n[n-]c(COc3ccc(Cl)cc3)n2)C1=O ZINC000177194941 495970674 /nfs/dbraw/zinc/97/06/74/495970674.db2.gz BQSBECQCMHBIPK-ZDUSSCGKSA-N -1 3 366.874 3.139 20 0 FGADHM COc1ccc(OCCS(=O)(=O)[N-]c2ccc(F)cc2Cl)cc1 ZINC000151907532 495988438 /nfs/dbraw/zinc/98/84/38/495988438.db2.gz DZQPMKRTBAWCKF-UHFFFAOYSA-N -1 3 359.806 3.308 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CC[C@H](C)C[C@H](C)C2)c1 ZINC000183471417 495997895 /nfs/dbraw/zinc/99/78/95/495997895.db2.gz RKFWXLLZRBXEFE-STQMWFEESA-N -1 3 371.437 3.449 20 0 FGADHM Cc1cccc(S(=O)(=O)[N-]c2cccn(Cc3ccccc3)c2=O)c1F ZINC000180517857 496029708 /nfs/dbraw/zinc/02/97/08/496029708.db2.gz MIKMHSADWYGXGI-UHFFFAOYSA-N -1 3 372.421 3.145 20 0 FGADHM CC(C)(C)OC(=O)N1CCC(C(=O)N2CCCc3cccc([O-])c32)CC1 ZINC000155675392 496032629 /nfs/dbraw/zinc/03/26/29/496032629.db2.gz HRCCGXBICPWXED-UHFFFAOYSA-N -1 3 360.454 3.319 20 0 FGADHM C[C@@H]1C[C@@H](C(=O)N2CCN(C(=O)c3cccc([O-])c3)CC2)CC(C)(C)C1 ZINC000183583627 496039271 /nfs/dbraw/zinc/03/92/71/496039271.db2.gz LOCPETQFTUFNCO-NVXWUHKLSA-N -1 3 358.482 3.139 20 0 FGADHM O=S(=O)(C[C@@H]1CCCO1)[N-]c1cccc(OCc2ccc(F)cc2)c1 ZINC000171806721 496043511 /nfs/dbraw/zinc/04/35/11/496043511.db2.gz PZBFQDYYXUUNPV-SFHVURJKSA-N -1 3 365.426 3.325 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccccc3C(C)=O)c2)n1 ZINC000174668664 496053869 /nfs/dbraw/zinc/05/38/69/496053869.db2.gz HRNHYHRTUMNDPZ-UHFFFAOYSA-N -1 3 361.401 3.454 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-]CCCOc1c(C)cccc1C ZINC000155777007 496064171 /nfs/dbraw/zinc/06/41/71/496064171.db2.gz GZOLICSOOKFKGT-UHFFFAOYSA-N -1 3 355.481 3.121 20 0 FGADHM Cc1cc(C)cc(OCCNC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)c1 ZINC000155792723 496069884 /nfs/dbraw/zinc/06/98/84/496069884.db2.gz BSLCJKUXMRQXGS-UHFFFAOYSA-N -1 3 368.408 3.401 20 0 FGADHM O=C(NCCC[C@H]1CCCCO1)NCc1ccc([O-])c(Br)c1 ZINC000186640149 496085623 /nfs/dbraw/zinc/08/56/23/496085623.db2.gz VIFKSNOOBKJKNA-CYBMUJFWSA-N -1 3 371.275 3.303 20 0 FGADHM Cc1cc(=O)[n-]c([C@H](C)Sc2nnc(NCC(F)(F)F)s2)n1 ZINC000155945917 496114628 /nfs/dbraw/zinc/11/46/28/496114628.db2.gz AENKUKKARFKRFB-LURJTMIESA-N -1 3 351.379 3.170 20 0 FGADHM COc1ccc(C(F)(F)C(=O)[N-][C@H]2CCCn3nc(C(C)C)nc32)cc1 ZINC000155962569 496119296 /nfs/dbraw/zinc/11/92/96/496119296.db2.gz RCUUDIPWPLOITO-AWEZNQCLSA-N -1 3 364.396 3.153 20 0 FGADHM Cc1oc(C)c(C(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)c1C ZINC000155986240 496125976 /nfs/dbraw/zinc/12/59/76/496125976.db2.gz RZKLFJZWZZBBHF-UHFFFAOYSA-N -1 3 366.414 3.037 20 0 FGADHM O=C(Cc1cncc([O-])c1)NCc1ccc(CN2CCc3ccccc32)cc1 ZINC000580731339 505825272 /nfs/dbraw/zinc/82/52/72/505825272.db2.gz KGJILYUJYWPPTO-UHFFFAOYSA-N -1 3 373.456 3.209 20 0 FGADHM CSC[C@H](C)NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000183863570 496140313 /nfs/dbraw/zinc/14/03/13/496140313.db2.gz OWCATEMPOVKQKW-KBXCAEBGSA-N -1 3 372.490 3.121 20 0 FGADHM COc1ccc([C@H]2[C@@H](C(=O)Nc3cc(F)ccc3[O-])CCC(=O)N2C)cc1 ZINC000174876679 496144644 /nfs/dbraw/zinc/14/46/44/496144644.db2.gz SHNQABOBYUOVKC-KXBFYZLASA-N -1 3 372.396 3.088 20 0 FGADHM Cc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3cc(F)ccc3[O-])C2)cc1 ZINC000174878732 496145762 /nfs/dbraw/zinc/14/57/62/496145762.db2.gz GKRYZVWPHCTENT-HNNXBMFYSA-N -1 3 356.397 3.331 20 0 FGADHM CCc1nc(COc2ccc(C(=O)Nc3cc(F)ccc3[O-])cc2)no1 ZINC000174881700 496147081 /nfs/dbraw/zinc/14/70/81/496147081.db2.gz FVYWFIHMESPJBD-UHFFFAOYSA-N -1 3 357.341 3.308 20 0 FGADHM O=C(Nc1cc(F)ccc1[O-])c1n[nH]c2ccc(Br)cc21 ZINC000174892932 496152448 /nfs/dbraw/zinc/15/24/48/496152448.db2.gz QANPPTANSOSIBT-UHFFFAOYSA-N -1 3 350.147 3.422 20 0 FGADHM O=C(Nc1ccc([O-])cc1F)c1n[nH]c2ccc(Br)cc21 ZINC000180854087 496172356 /nfs/dbraw/zinc/17/23/56/496172356.db2.gz BNSFSILLXWYNOJ-UHFFFAOYSA-N -1 3 350.147 3.422 20 0 FGADHM O=S(=O)([N-]C[C@H](CCO)c1ccccc1)c1ccccc1C(F)(F)F ZINC000177734281 496176947 /nfs/dbraw/zinc/17/69/47/496176947.db2.gz CWXVGBXJWLMXEY-AWEZNQCLSA-N -1 3 373.396 3.150 20 0 FGADHM CCSc1cccc(NC(=O)[C@@H](C)[N-]S(=O)(=O)c2cccs2)c1 ZINC000172139519 496180421 /nfs/dbraw/zinc/18/04/21/496180421.db2.gz NVWHJFFKNYXTKK-LLVKDONJSA-N -1 3 370.521 3.166 20 0 FGADHM COc1ccc(Br)cc1CS(=O)(=O)c1cccc([O-])c1 ZINC000183988654 496188909 /nfs/dbraw/zinc/18/89/09/496188909.db2.gz LVLNVWOOFJTXFG-UHFFFAOYSA-N -1 3 357.225 3.137 20 0 FGADHM CCOC(=O)c1cc(NC(=O)CSCc2ccc(Cl)cc2)n[n-]1 ZINC000180922649 496200688 /nfs/dbraw/zinc/20/06/88/496200688.db2.gz LJHUSODHRPFOPT-UHFFFAOYSA-N -1 3 353.831 3.112 20 0 FGADHM CCOC(=O)c1cc(NC(=O)CSCc2ccc(Cl)cc2)[n-]n1 ZINC000180922649 496200697 /nfs/dbraw/zinc/20/06/97/496200697.db2.gz LJHUSODHRPFOPT-UHFFFAOYSA-N -1 3 353.831 3.112 20 0 FGADHM CC(C)c1ccc(C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)s1 ZINC000184018605 496204685 /nfs/dbraw/zinc/20/46/85/496204685.db2.gz HVGOIMLLTQYYQJ-UHFFFAOYSA-N -1 3 358.463 3.175 20 0 FGADHM CC[C@@H]1C[C@@H](NC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)CCO1 ZINC000574679308 505829771 /nfs/dbraw/zinc/82/97/71/505829771.db2.gz KVRLMGJEGZSACG-JKSUJKDBSA-N -1 3 356.426 3.237 20 0 FGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@H]3CCOC(C)(C)C3)s2)cs1 ZINC000156304136 496210529 /nfs/dbraw/zinc/21/05/29/496210529.db2.gz BGXPNYRAWDMQIQ-NSHDSACASA-N -1 3 372.537 3.416 20 0 FGADHM C[C@@H]1CCCN1C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000184091830 496232699 /nfs/dbraw/zinc/23/26/99/496232699.db2.gz UNNPFEGHABAGKQ-DNVCBOLYSA-N -1 3 352.434 3.264 20 0 FGADHM COc1ccc(C(=O)N[C@H](C)c2c(C)nn(CC(F)(F)F)c2C)c([O-])c1 ZINC000181007431 496238903 /nfs/dbraw/zinc/23/89/03/496238903.db2.gz ATTDTLBKQIMTSP-SECBINFHSA-N -1 3 371.359 3.267 20 0 FGADHM C[C@@H](NC(=O)c1ccc2n[n-]nc2c1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000175101449 496246924 /nfs/dbraw/zinc/24/69/24/496246924.db2.gz AICKWOUBKSUYET-SECBINFHSA-N -1 3 368.784 3.152 20 0 FGADHM CC(C)c1ccc(-n2cc([O-])c(C(=O)N(C)[C@@H]3CCN(C)[C@H](C)C3)n2)cc1 ZINC000175104185 496248413 /nfs/dbraw/zinc/24/84/13/496248413.db2.gz SKICTODVBRAPOS-CRAIPNDOSA-N -1 3 370.497 3.256 20 0 FGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)c1cc(F)c(F)c(F)c1F ZINC000181037194 496249129 /nfs/dbraw/zinc/24/91/29/496249129.db2.gz DBWFUWZLDZIXFT-UHFFFAOYSA-N -1 3 360.263 3.222 20 0 FGADHM CC(C)n1cnc(S(=O)(=O)[N-][C@@H](C)c2nc(C(C)(C)C)cs2)c1 ZINC000152796413 496259356 /nfs/dbraw/zinc/25/93/56/496259356.db2.gz UUESSZYNHQJCGU-NSHDSACASA-N -1 3 356.517 3.258 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N2C[C@@H](C)[C@@H]2c2ccccc2)c([O-])c1 ZINC000175175962 496278094 /nfs/dbraw/zinc/27/80/94/496278094.db2.gz DPZUAKLVAXITCJ-FOIQADDNSA-N -1 3 352.434 3.040 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(NC(C)=O)c2)c(C)c1F ZINC000181130456 496280240 /nfs/dbraw/zinc/28/02/40/496280240.db2.gz MNTJUVGAIRHRRM-UHFFFAOYSA-N -1 3 366.414 3.210 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)cc2)c(C)c1F ZINC000181127199 496280411 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O=C(Nc1ccc(OC(F)F)cc1OC(F)F)c1cccc2nn[n-]c21 ZINC000187146904 496314017 /nfs/dbraw/zinc/31/40/17/496314017.db2.gz HWAMKRLKKPTEGL-UHFFFAOYSA-N -1 3 370.262 3.413 20 0 FGADHM O=C(Nc1ccc(OC(F)F)cc1OC(F)F)c1cccc2[n-]nnc21 ZINC000187146904 496314022 /nfs/dbraw/zinc/31/40/22/496314022.db2.gz HWAMKRLKKPTEGL-UHFFFAOYSA-N -1 3 370.262 3.413 20 0 FGADHM O=C(Nc1ccc(OC(F)F)cc1OC(F)F)c1cccc2n[n-]nc21 ZINC000187146904 496314026 /nfs/dbraw/zinc/31/40/26/496314026.db2.gz HWAMKRLKKPTEGL-UHFFFAOYSA-N -1 3 370.262 3.413 20 0 FGADHM CCCCN(C)S(=O)(=O)[N-]c1cc(F)ccc1OCC(F)(F)F ZINC000172486940 496314469 /nfs/dbraw/zinc/31/44/69/496314469.db2.gz WLMBUKGZXFRTFL-UHFFFAOYSA-N -1 3 358.357 3.155 20 0 FGADHM Cc1coc(-c2ccc(C)c(NC(=O)CCc3c(C)nc(C)[n-]c3=O)c2)n1 ZINC000152998448 496320597 /nfs/dbraw/zinc/32/05/97/496320597.db2.gz YEQBAIHDPHBAED-UHFFFAOYSA-N -1 3 366.421 3.230 20 0 FGADHM Cc1cc(Br)c([O-])c(NC(=O)c2cnccc2N(C)C)c1 ZINC000184317429 496332085 /nfs/dbraw/zinc/33/20/85/496332085.db2.gz 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ZINC000153696565 496548850 /nfs/dbraw/zinc/54/88/50/496548850.db2.gz OWDYMTISFFSFOM-UHFFFAOYSA-N -1 3 356.375 3.160 20 0 FGADHM CN(C(=O)NCc1ccc([O-])c(F)c1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000163726503 496551119 /nfs/dbraw/zinc/55/11/19/496551119.db2.gz HORIQGRTINTFHH-QGZVFWFLSA-N -1 3 357.429 3.342 20 0 FGADHM COc1cc(CN(C(=O)NCc2ccc([O-])c(F)c2)C2CC2)ccc1O ZINC000163715044 496551354 /nfs/dbraw/zinc/55/13/54/496551354.db2.gz DFSATXYVGWQPGL-UHFFFAOYSA-N -1 3 360.385 3.120 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)Cc1c(Cl)cccc1Cl)[C@H]1CCCO1 ZINC000157813380 496561928 /nfs/dbraw/zinc/56/19/28/496561928.db2.gz UQZYIJYLMOATOE-UONOGXRCSA-N -1 3 352.283 3.370 20 0 FGADHM CCN(CC)C(=O)N1CCC(C(=O)Nc2c([O-])cccc2Cl)CC1 ZINC000574769373 505851842 /nfs/dbraw/zinc/85/18/42/505851842.db2.gz WZKTXDSIARYABW-UHFFFAOYSA-N -1 3 353.850 3.158 20 0 FGADHM CC[C@@H]([N-]S(=O)(=O)c1ccc(OC)c(Cl)c1Cl)[C@@H]1CCCO1 ZINC000157829674 496565585 /nfs/dbraw/zinc/56/55/85/496565585.db2.gz BNMGTMNZWAVUEF-ZJUUUORDSA-N -1 3 368.282 3.238 20 0 FGADHM CCc1nc(C)c([C@H](C)N(C)C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)s1 ZINC000173185039 496584268 /nfs/dbraw/zinc/58/42/68/496584268.db2.gz ZTVIVBGULCPWJS-JTQLQIEISA-N -1 3 372.450 3.122 20 0 FGADHM Cc1ccc(-c2nnc(NC(=O)c3ccccc3OC[C@H]3CCCO3)[n-]2)o1 ZINC000181880703 496584746 /nfs/dbraw/zinc/58/47/46/496584746.db2.gz NREMVXNCPJGMAE-CYBMUJFWSA-N -1 3 368.393 3.183 20 0 FGADHM Cc1ccc(-c2n[n-]c(NC(=O)c3ccccc3OC[C@H]3CCCO3)n2)o1 ZINC000181880703 496584751 /nfs/dbraw/zinc/58/47/51/496584751.db2.gz NREMVXNCPJGMAE-CYBMUJFWSA-N -1 3 368.393 3.183 20 0 FGADHM Cc1ccc(-c2nc(NC(=O)c3ccccc3OC[C@H]3CCCO3)n[n-]2)o1 ZINC000181880703 496584754 /nfs/dbraw/zinc/58/47/54/496584754.db2.gz NREMVXNCPJGMAE-CYBMUJFWSA-N -1 3 368.393 3.183 20 0 FGADHM Cc1ccc2c(c1)[C@@H](NC(=O)c1c[n-]c3c(C)cc(F)cc3c1=O)CO2 ZINC000164222068 496595964 /nfs/dbraw/zinc/59/59/64/496595964.db2.gz MFQNWMZHTCAZMN-INIZCTEOSA-N -1 3 352.365 3.148 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCCC2CCCC2)c1 ZINC000184966221 496602989 /nfs/dbraw/zinc/60/29/89/496602989.db2.gz BTDFKMGVNAEMMF-UHFFFAOYSA-N -1 3 357.410 3.251 20 0 FGADHM Cc1cc(C)cc(CCC(=O)Nc2ccc(F)c([N-]S(C)(=O)=O)c2)c1 ZINC000178897888 496609041 /nfs/dbraw/zinc/60/90/41/496609041.db2.gz QCKODZUFFVAWPT-UHFFFAOYSA-N -1 3 364.442 3.385 20 0 FGADHM Cc1cccc2c(=O)c(C(=O)N3CCC(OC[C@@H]4CCCO4)CC3)c[n-]c12 ZINC000164616847 496623475 /nfs/dbraw/zinc/62/34/75/496623475.db2.gz XYCBWQIOQHUYDO-INIZCTEOSA-N -1 3 370.449 3.049 20 0 FGADHM COCc1cc(C(=O)[N-]c2cc(-c3ccc(OC(F)F)cc3)no2)no1 ZINC000175973126 496624139 /nfs/dbraw/zinc/62/41/39/496624139.db2.gz DETXSHFFLOUWTA-UHFFFAOYSA-N -1 3 365.292 3.330 20 0 FGADHM CN1CC[C@@H]([N-]S(=O)(=O)c2ccc(F)cc2Cl)[C@@H]1c1ccccc1 ZINC000178945462 496625607 /nfs/dbraw/zinc/62/56/07/496625607.db2.gz QSRPEYNESBDKBF-WBVHZDCISA-N -1 3 368.861 3.203 20 0 FGADHM O=S(=O)(Cc1c(F)cccc1F)[N-]Cc1csc(-c2ccco2)n1 ZINC000164652611 496626241 /nfs/dbraw/zinc/62/62/41/496626241.db2.gz BCBBEBGEHLVNJU-UHFFFAOYSA-N -1 3 370.402 3.301 20 0 FGADHM CN(C)C(=O)c1cc(NC(=O)Cc2ccc([O-])cc2Cl)ccc1F ZINC000158098399 496626304 /nfs/dbraw/zinc/62/63/04/496626304.db2.gz UHBYNTBBCFRTOD-UHFFFAOYSA-N -1 3 350.777 3.068 20 0 FGADHM O=C(Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)c1csc(Cl)c1 ZINC000187950251 496629069 /nfs/dbraw/zinc/62/90/69/496629069.db2.gz TZVXVEQPQDZPLD-UHFFFAOYSA-N -1 3 374.846 3.234 20 0 FGADHM COc1cc(C(=O)N(CCN(C)C)Cc2cccs2)cc(Cl)c1[O-] ZINC000153964972 496638032 /nfs/dbraw/zinc/63/80/32/496638032.db2.gz RBEJDACFPUBLKE-UHFFFAOYSA-N -1 3 368.886 3.320 20 0 FGADHM Cc1ccc(CN(C)C)cc1[N-]S(=O)(=O)c1ccccc1OC(F)F ZINC000154019505 496656937 /nfs/dbraw/zinc/65/69/37/496656937.db2.gz SODLRGZKKONCQS-UHFFFAOYSA-N -1 3 370.421 3.459 20 0 FGADHM CC(C)(C(N)=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)cc1 ZINC000158242937 496658248 /nfs/dbraw/zinc/65/82/48/496658248.db2.gz IBDQORPRACFLAF-UHFFFAOYSA-N -1 3 372.490 3.129 20 0 FGADHM CN(c1ccccc1)c1ccc(C(=O)Nc2cc(-c3nccn3C)[n-]n2)cn1 ZINC000179055407 496660341 /nfs/dbraw/zinc/66/03/41/496660341.db2.gz PSLNGGRVGOARDK-UHFFFAOYSA-N -1 3 373.420 3.225 20 0 FGADHM CN(c1ccccc1)c1ccc(C(=O)Nc2cc(-c3nccn3C)n[n-]2)cn1 ZINC000179055407 496660347 /nfs/dbraw/zinc/66/03/47/496660347.db2.gz PSLNGGRVGOARDK-UHFFFAOYSA-N -1 3 373.420 3.225 20 0 FGADHM CC[C@](C)([N-]S(=O)(=O)c1ccc(OC)c(F)c1)c1nc(C)cs1 ZINC000173372448 496662666 /nfs/dbraw/zinc/66/26/66/496662666.db2.gz KDXAVNLPLYJNCJ-HNNXBMFYSA-N -1 3 358.460 3.203 20 0 FGADHM Cc1cc(S(=O)(=O)[N-][C@H]2CCCn3nc(C(C)C)nc32)sc1Cl ZINC000188095954 496681236 /nfs/dbraw/zinc/68/12/36/496681236.db2.gz OOZXDRHYBAFVQW-JTQLQIEISA-N -1 3 374.919 3.238 20 0 FGADHM COc1ccccc1[C@@H](C[N-]S(=O)(=O)c1cccs1)OC(C)C ZINC000185189094 496697574 /nfs/dbraw/zinc/69/75/74/496697574.db2.gz XGTMJOKILCTRHL-OAHLLOKOSA-N -1 3 355.481 3.201 20 0 FGADHM CCCN1CCCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CC1=O ZINC000188141295 496699477 /nfs/dbraw/zinc/69/94/77/496699477.db2.gz UVILKCYYLZBZMM-UHFFFAOYSA-N -1 3 366.461 3.068 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)C3(c4ccccc4F)CC3)[n-]c21 ZINC000158443313 496702964 /nfs/dbraw/zinc/70/29/64/496702964.db2.gz HXOWFWRNGDIRBN-UHFFFAOYSA-N -1 3 353.353 3.159 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)C3(c4ccccc4F)CC3)nc21 ZINC000158443313 496702969 /nfs/dbraw/zinc/70/29/69/496702969.db2.gz HXOWFWRNGDIRBN-UHFFFAOYSA-N -1 3 353.353 3.159 20 0 FGADHM CC(C)[C@@H]1C[C@H]1C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000185311900 496727857 /nfs/dbraw/zinc/72/78/57/496727857.db2.gz LYGUZNTXSVPUJJ-WDEREUQCSA-N -1 3 364.389 3.308 20 0 FGADHM CC1(C(=O)Nc2cc(N3CCCS3(=O)=O)ccc2[O-])CCCCCC1 ZINC000182310106 496729106 /nfs/dbraw/zinc/72/91/06/496729106.db2.gz BMDKWVFCICRWOB-UHFFFAOYSA-N -1 3 366.483 3.231 20 0 FGADHM COc1ccc(C(=O)Nc2ccc3nc([C@@H]4CCCO4)[nH]c3c2)c([O-])c1 ZINC000194866119 496740818 /nfs/dbraw/zinc/74/08/18/496740818.db2.gz ZDFPQRCEPBYORC-KRWDZBQOSA-N -1 3 353.378 3.381 20 0 FGADHM O=C(COc1cccc(NC(=O)c2cc([O-])ccc2Cl)c1)N1CCCC1 ZINC000277339976 496742435 /nfs/dbraw/zinc/74/24/35/496742435.db2.gz GYRIFJLHDLONPJ-UHFFFAOYSA-N -1 3 374.824 3.299 20 0 FGADHM COc1cc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])ccc1Cl ZINC000194890055 496749694 /nfs/dbraw/zinc/74/96/94/496749694.db2.gz FGZCPTNEVNWUMZ-OAHLLOKOSA-N -1 3 374.824 3.298 20 0 FGADHM COc1ccccc1/C=C(/C(=O)[N-]OC[C@@H]1CCOC1)c1ccccc1 ZINC000188316090 496749649 /nfs/dbraw/zinc/74/96/49/496749649.db2.gz MXTCFQCJKVVLLM-CXDFQFJYSA-N -1 3 353.418 3.320 20 0 FGADHM Cc1ccc(C[C@@H](CO)[N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC000188354400 496760932 /nfs/dbraw/zinc/76/09/32/496760932.db2.gz BNYXPVABSNQKFC-ZDUSSCGKSA-N -1 3 374.289 3.184 20 0 FGADHM CCOc1ccc(CN[C@@H](CC(=O)[O-])c2ccc(OC)c(OC)c2)cc1 ZINC000277409453 496763680 /nfs/dbraw/zinc/76/36/80/496763680.db2.gz SJAQGXDKSXRRQM-KRWDZBQOSA-N -1 3 359.422 3.408 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)c3cc4cc(OC)ccc4[nH]3)[n-]c21 ZINC000188480054 496804131 /nfs/dbraw/zinc/80/41/31/496804131.db2.gz ZMUZQNSYURKVDR-UHFFFAOYSA-N -1 3 364.361 3.092 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cc4cc(OC)ccc4[nH]3)nc21 ZINC000188480054 496804135 /nfs/dbraw/zinc/80/41/35/496804135.db2.gz ZMUZQNSYURKVDR-UHFFFAOYSA-N -1 3 364.361 3.092 20 0 FGADHM O=C(N[C@@H]1CCC[C@H]2OCC[C@@H]21)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000188526527 496820396 /nfs/dbraw/zinc/82/03/96/496820396.db2.gz QSUOXJUUJRAJGD-VAMGGRTRSA-N -1 3 365.429 3.311 20 0 FGADHM C[C@@H]1CN(Cc2cc([O-])ccc2Br)c2ccccc2C(=O)N1 ZINC000580923081 505869096 /nfs/dbraw/zinc/86/90/96/505869096.db2.gz JRHMTFBLXHCKBK-LLVKDONJSA-N -1 3 361.239 3.293 20 0 FGADHM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(OC2COC2)cc1 ZINC000188595464 496845280 /nfs/dbraw/zinc/84/52/80/496845280.db2.gz KDYMTDKEFCKTEF-UHFFFAOYSA-N -1 3 353.827 3.227 20 0 FGADHM COc1ccc(CNC[C@@](C)(O)c2ccccc2)c(Br)c1[O-] ZINC000273602313 496851962 /nfs/dbraw/zinc/85/19/62/496851962.db2.gz GDUARLNMPQFLPN-QGZVFWFLSA-N -1 3 366.255 3.161 20 0 FGADHM CC(C)c1cc(C(=O)N2CC[S@@](=O)C[C@@H](C)C2)c([O-])c(C(C)C)c1 ZINC000277691808 496854309 /nfs/dbraw/zinc/85/43/09/496854309.db2.gz VRBKTNGZFUHRNU-LFPIHBKWSA-N -1 3 351.512 3.480 20 0 FGADHM COc1ccc(CNc2nnc([C@@H]3CCCO3)o2)c(Br)c1[O-] ZINC000273633760 496858924 /nfs/dbraw/zinc/85/89/24/496858924.db2.gz BQRWKRMBNCPYKJ-JTQLQIEISA-N -1 3 370.203 3.010 20 0 FGADHM CC(C)OCCCN(C)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000269054377 496859917 /nfs/dbraw/zinc/85/99/17/496859917.db2.gz WVEJCQQFTPRTPN-UHFFFAOYSA-N -1 3 359.264 3.111 20 0 FGADHM Cc1cc(C)n2nc(C(=O)[N-]c3ncc(-c4ccc(F)cc4)s3)nc2n1 ZINC000191729341 496870440 /nfs/dbraw/zinc/87/04/40/496870440.db2.gz YLBTUKFUGZZOOJ-UHFFFAOYSA-N -1 3 368.397 3.256 20 0 FGADHM CC(C)(C)c1cc(-c2nc(-c3ccc([N-]S(C)(=O)=O)cc3)no2)no1 ZINC000273697451 496877712 /nfs/dbraw/zinc/87/77/12/496877712.db2.gz IZZNSLKJJGFASH-UHFFFAOYSA-N -1 3 362.411 3.061 20 0 FGADHM C[C@@]1(c2nc(Cc3nc(=O)c4c(C5CC5)csc4[n-]3)no2)CCCOC1 ZINC000273725772 496886074 /nfs/dbraw/zinc/88/60/74/496886074.db2.gz KBAHMWVEHYHZKN-GOSISDBHSA-N -1 3 372.450 3.316 20 0 FGADHM CC(C)c1cc(C(=O)N2CCS(=O)(=O)CC[C@@H]2C)c([O-])c(C(C)C)c1 ZINC000191800570 496893682 /nfs/dbraw/zinc/89/36/82/496893682.db2.gz OPEYXTSJNKTIAN-AWEZNQCLSA-N -1 3 367.511 3.288 20 0 FGADHM COC1(c2nc(Cc3nc(=O)c4c(C5CC5)csc4[n-]3)no2)CCC1 ZINC000273799885 496912752 /nfs/dbraw/zinc/91/27/52/496912752.db2.gz UMZNLWNOKWWLGQ-UHFFFAOYSA-N -1 3 358.423 3.274 20 0 FGADHM O=C([N-]c1sccc1C(=O)NC1CC1)c1nc(Br)cs1 ZINC000191886596 496921088 /nfs/dbraw/zinc/92/10/88/496921088.db2.gz AALZEDOAMHGJFF-UHFFFAOYSA-N -1 3 372.269 3.112 20 0 FGADHM CCc1ccc(C(=O)N[C@@H](c2nccn2C)c2ccc(OC)cc2)c([O-])c1 ZINC000188891242 496938393 /nfs/dbraw/zinc/93/83/93/496938393.db2.gz CCXMUOJCUNCPSX-LJQANCHMSA-N -1 3 365.433 3.216 20 0 FGADHM C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)c1cccc2[n-]nnc21 ZINC000188921165 496948264 /nfs/dbraw/zinc/94/82/64/496948264.db2.gz SOWVARCRJONKTM-BZNIZROVSA-N -1 3 356.813 3.214 20 0 FGADHM C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)c1cccc2nn[n-]c21 ZINC000188921165 496948267 /nfs/dbraw/zinc/94/82/67/496948267.db2.gz SOWVARCRJONKTM-BZNIZROVSA-N -1 3 356.813 3.214 20 0 FGADHM C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)c1cccc2n[n-]nc21 ZINC000188921165 496948270 /nfs/dbraw/zinc/94/82/70/496948270.db2.gz SOWVARCRJONKTM-BZNIZROVSA-N -1 3 356.813 3.214 20 0 FGADHM COc1ccc([O-])c(C(=O)NCCCc2cn(-c3ccccc3)nc2C)c1 ZINC000195593270 496952057 /nfs/dbraw/zinc/95/20/57/496952057.db2.gz BLQAVQYTBKMEFH-UHFFFAOYSA-N -1 3 365.433 3.258 20 0 FGADHM C[C@@H](NC(=O)c1ccc(O)cc1[O-])[C@H](OC1CCOCC1)c1ccccc1 ZINC000269518034 496962751 /nfs/dbraw/zinc/96/27/51/496962751.db2.gz KXLYRSOTAMBNAZ-VLIAUNLRSA-N -1 3 371.433 3.153 20 0 FGADHM Cc1c2ccccc2oc1[C@H](NC(=O)C(=O)[N-]c1cnns1)C(C)C ZINC000192016921 496964807 /nfs/dbraw/zinc/96/48/07/496964807.db2.gz OTDKTIXOWYBBNQ-CQSZACIVSA-N -1 3 358.423 3.045 20 0 FGADHM CC(C)C[C@@H](NC(=O)C(=O)[N-]c1cnns1)c1ccc(Cl)cc1 ZINC000192029921 496968204 /nfs/dbraw/zinc/96/82/04/496968204.db2.gz IEQSOBBQJZGHLH-GFCCVEGCSA-N -1 3 352.847 3.034 20 0 FGADHM C[C@H](CNC(=O)CC1(CC(=O)[O-])CCCCC1)N(C)Cc1ccccc1 ZINC000264719005 496971380 /nfs/dbraw/zinc/97/13/80/496971380.db2.gz DNDSMFCEZNSRLC-QGZVFWFLSA-N -1 3 360.498 3.438 20 0 FGADHM COc1cc(C(=O)N2CCSC[C@H]2c2ccccc2)cc(OC)c1[O-] ZINC000273957073 496972100 /nfs/dbraw/zinc/97/21/00/496972100.db2.gz OACJBIJTYLSDQU-HNNXBMFYSA-N -1 3 359.447 3.340 20 0 FGADHM O=C1C[C@H](c2noc(-c3cc(Cl)c(Cl)[n-]3)n2)CN1CC1CCC1 ZINC000273962217 496973508 /nfs/dbraw/zinc/97/35/08/496973508.db2.gz OAMKQMPXXRUMQX-VIFPVBQESA-N -1 3 355.225 3.488 20 0 FGADHM Cc1cc(-n2c([O-])c(CC(F)(F)F)[nH]c2=O)ccc1Br ZINC000278034279 496980146 /nfs/dbraw/zinc/98/01/46/496980146.db2.gz KTFLUBONTZKKGV-VIFPVBQESA-N -1 3 351.122 3.135 20 0 FGADHM O=C1C[C@@H](c2noc(-c3cc4c(cc3[O-])CCCC4)n2)CN1CC1CCC1 ZINC000274007607 496991076 /nfs/dbraw/zinc/99/10/76/496991076.db2.gz RTTIFTKBEKDDTE-MRXNPFEDSA-N -1 3 367.449 3.437 20 0 FGADHM COc1cc(C)cc(-c2nc(CC(=O)N[C@@H](C)c3ccccc3)no2)c1[O-] ZINC000278075300 496995808 /nfs/dbraw/zinc/99/58/08/496995808.db2.gz WETCHZCQTRNCMM-ZDUSSCGKSA-N -1 3 367.405 3.179 20 0 FGADHM O=C1C[C@H](c2noc(-c3ccc4c(c3[O-])CCCC4)n2)CN1CC1CC1 ZINC000274033242 496998966 /nfs/dbraw/zinc/99/89/66/496998966.db2.gz UILQXSHVCIUYFE-AWEZNQCLSA-N -1 3 353.422 3.047 20 0 FGADHM CCCCN(C)S(=O)(=O)[N-]c1cc(Cl)ccc1O[C@H](C)COC ZINC000189075250 496999377 /nfs/dbraw/zinc/99/93/77/496999377.db2.gz YGHSMMMSDGVFRF-GFCCVEGCSA-N -1 3 364.895 3.142 20 0 FGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@H](C)CC(C)C)cc1OC ZINC000269792952 497003089 /nfs/dbraw/zinc/00/30/89/497003089.db2.gz NZQRCPLPKRNXBA-GFCCVEGCSA-N -1 3 357.476 3.013 20 0 FGADHM COc1cc(C(=O)NCc2ccccc2OCC2CC2)cc(OC)c1[O-] ZINC000269892643 497019366 /nfs/dbraw/zinc/01/93/66/497019366.db2.gz BQOZJLPTWWSDFO-UHFFFAOYSA-N -1 3 357.406 3.128 20 0 FGADHM Cn1ccnc1COc1ccc(NC(=O)c2n[n-]nc2-c2ccccc2)cc1 ZINC000189156486 497027421 /nfs/dbraw/zinc/02/74/21/497027421.db2.gz KUOBSYRDGYUDRP-UHFFFAOYSA-N -1 3 374.404 3.037 20 0 FGADHM COc1cc(C(=O)Nc2ccc(NC(=O)C3CC3)cc2)cc(OC)c1[O-] ZINC000269935653 497027633 /nfs/dbraw/zinc/02/76/33/497027633.db2.gz 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497160874 /nfs/dbraw/zinc/16/08/74/497160874.db2.gz KFZKNDNQYGBTID-LRDDRELGSA-N -1 3 356.463 3.238 20 0 FGADHM CCc1c(C(=O)[N-]c2nnc(C(C)C)s2)nnn1Cc1ccc(F)cc1 ZINC000278603555 497164807 /nfs/dbraw/zinc/16/48/07/497164807.db2.gz VJSOTGIJGHXCBS-UHFFFAOYSA-N -1 3 374.445 3.255 20 0 FGADHM COc1cc(-c2noc(-c3cc4c([nH]c3=O)CCCCC4)n2)ccc1[O-] ZINC000265714395 497166294 /nfs/dbraw/zinc/16/62/94/497166294.db2.gz OZYMXWJRZFKVLU-UHFFFAOYSA-N -1 3 353.378 3.487 20 0 FGADHM COC(=O)CCCc1nnc([N-]C(=O)c2cc3cccc(C)c3o2)s1 ZINC000265727169 497169711 /nfs/dbraw/zinc/16/97/11/497169711.db2.gz PYHUGDVTHWAOJA-UHFFFAOYSA-N -1 3 359.407 3.341 20 0 FGADHM C[C@@H]1CCSCCN1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000189605466 497179801 /nfs/dbraw/zinc/17/98/01/497179801.db2.gz HZZHOFRCFFOPRK-SNVBAGLBSA-N -1 3 359.289 3.192 20 0 FGADHM COc1ccc(NC([O-])=NO[C@H]2CCCCO2)cc1OCC(F)(F)F ZINC000274903774 497195412 /nfs/dbraw/zinc/19/54/12/497195412.db2.gz LTRBUWQXZQVJFY-ZDUSSCGKSA-N -1 3 364.320 3.216 20 0 FGADHM 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/nfs/dbraw/zinc/22/63/04/497226304.db2.gz KGROYMMGNFEPHG-UHFFFAOYSA-N -1 3 360.364 3.117 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N(C)C(C)C ZINC000192870592 497234591 /nfs/dbraw/zinc/23/45/91/497234591.db2.gz UYLVWHCOJVTLTI-UHFFFAOYSA-N -1 3 364.442 3.415 20 0 FGADHM Cc1cc(F)c(Br)cc1S(=O)(=O)[N-][C@@H]1CCC[C@@H]1F ZINC000578250014 505897675 /nfs/dbraw/zinc/89/76/75/505897675.db2.gz MKBJKYWESHBPPX-GXSJLCMTSA-N -1 3 354.216 3.066 20 0 FGADHM COc1cccc2c1OC[C@@H](NC(=O)c1cc([O-])ccc1C(F)(F)F)C2 ZINC000193141907 497311165 /nfs/dbraw/zinc/31/11/65/497311165.db2.gz CVGTWLNWSKKJFV-NSHDSACASA-N -1 3 367.323 3.153 20 0 FGADHM Cc1ccc(NC([O-])=NO[C@@H]2CCCCO2)cc1C(=O)N1CCCCC1 ZINC000279042960 497314964 /nfs/dbraw/zinc/31/49/64/497314964.db2.gz XTVCZENCHYTDGD-QGZVFWFLSA-N -1 3 361.442 3.201 20 0 FGADHM Cc1ccc(NC(=O)[N-]O[C@@H]2CCCCO2)cc1C(=O)N1CCCCC1 ZINC000279042960 497314969 /nfs/dbraw/zinc/31/49/69/497314969.db2.gz XTVCZENCHYTDGD-QGZVFWFLSA-N -1 3 361.442 3.201 20 0 FGADHM CCc1ccc(C(=O)N2CCC(O)(c3c(F)cccc3F)CC2)c([O-])c1 ZINC000189987543 497317018 /nfs/dbraw/zinc/31/70/18/497317018.db2.gz AWPFFZWOBSDFCC-UHFFFAOYSA-N -1 3 361.388 3.357 20 0 FGADHM C[C@@H](c1ccccc1Cl)N1CCN(C(=O)c2ccc(O)cc2[O-])CC1 ZINC000193176697 497317578 /nfs/dbraw/zinc/31/75/78/497317578.db2.gz YSPYFAKNUJTPKV-ZDUSSCGKSA-N -1 3 360.841 3.270 20 0 FGADHM COCc1nc2sc(C(=O)Nc3c(C)cccc3[O-])c(C)c2c(OC)n1 ZINC000271410227 497341398 /nfs/dbraw/zinc/34/13/98/497341398.db2.gz YLYREPMUNPSZSJ-UHFFFAOYSA-N -1 3 373.434 3.421 20 0 FGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]C/C=C\c1ccccc1 ZINC000255384345 497366262 /nfs/dbraw/zinc/36/62/62/497366262.db2.gz RCQGZKUTUPCRIA-YVMONPNESA-N -1 3 365.838 3.118 20 0 FGADHM CCCCOc1ccc(C(=O)NC2CCN(c3ccccn3)CC2)c([O-])c1 ZINC000190128007 497367544 /nfs/dbraw/zinc/36/75/44/497367544.db2.gz QNMCRYPTTBCLLN-UHFFFAOYSA-N -1 3 369.465 3.365 20 0 FGADHM CCc1ccc(C(=O)NCc2ccc(CN3CCCC3=O)cc2)c([O-])c1 ZINC000190160501 497382179 /nfs/dbraw/zinc/38/21/79/497382179.db2.gz 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ABPTYLGSKIHKKJ-UHFFFAOYSA-N -1 3 374.445 3.220 20 0 FGADHM CC(=O)Nc1ccc(OC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)c(F)c1 ZINC000267179673 497498455 /nfs/dbraw/zinc/49/84/55/497498455.db2.gz VNGCECYHNCMOBN-UHFFFAOYSA-N -1 3 361.373 3.105 20 0 FGADHM COc1cc(CC(=O)N2CC[C@@H](C)c3cccc([O-])c32)cc(OC)c1O ZINC000279657659 497500657 /nfs/dbraw/zinc/50/06/57/497500657.db2.gz FHOXVBNLBSJCSU-GFCCVEGCSA-N -1 3 357.406 3.198 20 0 FGADHM CC(C)CCN(CCC(C)C)C(=O)CN1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000262080821 497504979 /nfs/dbraw/zinc/50/49/79/497504979.db2.gz FEOSCHQIWYWPPM-FXAWDEMLSA-N -1 3 352.519 3.094 20 0 FGADHM COc1cc(C(=O)N[C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)ccc1[O-] ZINC000276153396 497509570 /nfs/dbraw/zinc/50/95/70/497509570.db2.gz FEVZCHWEKOCLNF-LBPRGKRZSA-N -1 3 369.421 3.176 20 0 FGADHM Cc1sc2[nH]c(CN3[C@@H]4CCCC[C@@H]4C[C@H]3C(=O)[O-])nc(=O)c2c1C ZINC000262112352 497511238 /nfs/dbraw/zinc/51/12/38/497511238.db2.gz AYPPFTMYFUJSOM-UPJWGTAASA-N -1 3 361.467 3.231 20 0 FGADHM 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/nfs/dbraw/zinc/98/21/07/505982107.db2.gz QUUJWASHXAORQF-UHFFFAOYSA-N -1 3 363.435 3.039 20 0 FGADHM Cc1ccc(NC(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)cc1C ZINC000281379605 498127029 /nfs/dbraw/zinc/12/70/29/498127029.db2.gz OZLRSAYUNSLGRP-UHFFFAOYSA-N -1 3 357.376 3.226 20 0 FGADHM O=C([N-]C[C@@H]1CCCN(Cc2coc(-c3ccccc3)n2)C1)C(F)(F)F ZINC000289431128 498144677 /nfs/dbraw/zinc/14/46/77/498144677.db2.gz JCKLHMRXVKKPCH-ZDUSSCGKSA-N -1 3 367.371 3.232 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CC[C@H](C(C)(C)C)C[C@@H]1C ZINC000572515475 505987734 /nfs/dbraw/zinc/98/77/34/505987734.db2.gz FARVZUQSEXPNTG-IHRRRGAJSA-N -1 3 372.556 3.088 20 0 FGADHM O=C(Cc1cncc([O-])c1)N[C@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000578642995 505988377 /nfs/dbraw/zinc/98/83/77/505988377.db2.gz JKBXYPMVTSUESN-KRWDZBQOSA-N -1 3 366.339 3.496 20 0 FGADHM O=C(c1cc([O-])ccc1C(F)(F)F)N1CCC(Cc2ncc[nH]2)CC1 ZINC000330613049 498159761 /nfs/dbraw/zinc/15/97/61/498159761.db2.gz QUXXEPMMDBGBPF-UHFFFAOYSA-N -1 3 353.344 3.229 20 0 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XVYKTJUGTREMGM-UHFFFAOYSA-N -1 3 353.488 3.363 20 0 FGADHM O=c1nc(Cc2noc([C@@H]3C[C@H]4CC[C@@H]3O4)n2)[n-]c2scc(C3CC3)c21 ZINC000351194540 498193791 /nfs/dbraw/zinc/19/37/91/498193791.db2.gz CEMUQWLCMSISQE-FOGDFJRCSA-N -1 3 370.434 3.283 20 0 FGADHM CCc1cccc(S(=O)(=O)[N-][C@@H](c2nccs2)C(F)(F)F)c1 ZINC000292928772 498199325 /nfs/dbraw/zinc/19/93/25/498199325.db2.gz YRVCRGKHHQXYRY-NSHDSACASA-N -1 3 350.387 3.287 20 0 FGADHM Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)c2ccc([N-]S(C)(=O)=O)cc2)C1 ZINC000330838687 498203893 /nfs/dbraw/zinc/20/38/93/498203893.db2.gz IRHYUOPCHRTUPJ-DOTOQJQBSA-N -1 3 372.490 3.385 20 0 FGADHM O=C([N-]c1nc(-c2cccs2)ns1)c1c[nH]nc1-c1ccccn1 ZINC000575752694 505996920 /nfs/dbraw/zinc/99/69/20/505996920.db2.gz JMEVKXQJYIJKGK-UHFFFAOYSA-N -1 3 354.420 3.304 20 0 FGADHM Cc1ccc([O-])c(C(=O)N2CCCC[C@@H]2c2nnc([C@H]3CCCO3)o2)c1 ZINC000289596788 498210764 /nfs/dbraw/zinc/21/07/64/498210764.db2.gz GZQVSMKBSIDDCP-GDBMZVCRSA-N -1 3 357.410 3.303 20 0 FGADHM CC(C)(C)c1csc(CCNC(=O)c2c[n-]nc2-c2ccccn2)n1 ZINC000575756829 505997318 /nfs/dbraw/zinc/99/73/18/505997318.db2.gz RKDAWOPQFLQFDB-UHFFFAOYSA-N -1 3 355.467 3.198 20 0 FGADHM COCCC[C@@H](CNC(=O)Cc1cncc([O-])c1)c1ccc(Cl)cc1 ZINC000569708019 505999184 /nfs/dbraw/zinc/99/91/84/505999184.db2.gz GHTQEXMIHZZZPT-INIZCTEOSA-N -1 3 362.857 3.310 20 0 FGADHM Cc1cccc(C(=O)N2CCN(Cc3c(F)cccc3Cl)CC2)c1[O-] ZINC000301686994 498222637 /nfs/dbraw/zinc/22/26/37/498222637.db2.gz QNTLHBZLABGVQJ-UHFFFAOYSA-N -1 3 362.832 3.451 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F)c1cc2ccccc2o1 ZINC000292989979 498224945 /nfs/dbraw/zinc/22/49/45/498224945.db2.gz FXVHBCZKKZTAHY-VIFPVBQESA-N -1 3 373.356 3.225 20 0 FGADHM COC[C@@H](C)Nc1ccccc1NC(=O)c1[n-]nc2c1cccc2OC ZINC000293003137 498230660 /nfs/dbraw/zinc/23/06/60/498230660.db2.gz SXYVYOOZCOSLAK-GFCCVEGCSA-N -1 3 354.410 3.271 20 0 FGADHM COC[C@@H](C)Nc1ccccc1NC(=O)c1n[n-]c2c1cccc2OC ZINC000293003137 498230666 /nfs/dbraw/zinc/23/06/66/498230666.db2.gz SXYVYOOZCOSLAK-GFCCVEGCSA-N -1 3 354.410 3.271 20 0 FGADHM CN(C)c1cccc(S(=O)(=O)[N-]c2c3c(ccc2Cl)OCC3)c1 ZINC000578710088 506002225 /nfs/dbraw/zinc/00/22/25/506002225.db2.gz DZYQNSDDCRNSPL-UHFFFAOYSA-N -1 3 352.843 3.142 20 0 FGADHM COc1ccc(S(=O)(=O)[N-][C@H]2CCC[C@H](C(F)(F)F)C2)c(F)c1 ZINC000331091264 498251344 /nfs/dbraw/zinc/25/13/44/498251344.db2.gz WJCGRHQMMLSLAW-UWVGGRQHSA-N -1 3 355.353 3.234 20 0 FGADHM O=c1cc(CN[C@]2(Cc3ccc(Cl)cc3)CCOC2)nc(C2CC2)[n-]1 ZINC000578722746 506005356 /nfs/dbraw/zinc/00/53/56/506005356.db2.gz WFPGLCKBPQNYIB-IBGZPJMESA-N -1 3 359.857 3.204 20 0 FGADHM COc1cccc(C(=O)N2CCCC[C@@H]2c2nnc([C@H]3CCCO3)o2)c1[O-] ZINC000289750231 498276176 /nfs/dbraw/zinc/27/61/76/498276176.db2.gz OSZRKJRARQTPEP-UKRRQHHQSA-N -1 3 373.409 3.003 20 0 FGADHM Cc1cc(-n2c([O-])c(CC(F)(F)F)[nH]c2=O)nn1-c1ccccc1Cl ZINC000286104725 498292717 /nfs/dbraw/zinc/29/27/17/498292717.db2.gz RPFXBNBFVVCFKA-SNVBAGLBSA-N -1 3 372.734 3.211 20 0 FGADHM CCc1nc(SC[C@@H]2CN(Cc3ccccc3)CCCO2)[n-]c(=O)c1C ZINC000575816116 506011685 /nfs/dbraw/zinc/01/16/85/506011685.db2.gz LLDAFLNJCNQHJD-KRWDZBQOSA-N -1 3 373.522 3.436 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N3CCCC[C@@H]3c3ccnn3C)c[n-]c12 ZINC000281880484 498302322 /nfs/dbraw/zinc/30/23/22/498302322.db2.gz CXNYJWGSIMNULC-QGZVFWFLSA-N -1 3 368.412 3.489 20 0 FGADHM C[C@@H]1C(=O)CC[C@H]1CC(=O)[N-]OCc1ccc(F)cc1Br ZINC000281894104 498307811 /nfs/dbraw/zinc/30/78/11/498307811.db2.gz PMJUHBJOBAGGHL-UWVGGRQHSA-N -1 3 358.207 3.141 20 0 FGADHM O=S(=O)([N-]Cc1ccc2c(n1)CCCC2)c1cc(F)ccc1Cl ZINC000578760735 506014825 /nfs/dbraw/zinc/01/48/25/506014825.db2.gz GULUPPIGMYGEGO-UHFFFAOYSA-N -1 3 354.834 3.231 20 0 FGADHM COC(=O)C(C)(C)N(C)Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000581566224 506017110 /nfs/dbraw/zinc/01/71/10/506017110.db2.gz BPNALTQBOQJXEW-UHFFFAOYSA-N -1 3 361.423 3.040 20 0 FGADHM O=S(=O)([N-]C[C@@H]1C[C@H]1c1ccccc1)c1cnccc1C(F)(F)F ZINC000569791476 506018250 /nfs/dbraw/zinc/01/82/50/506018250.db2.gz NHIJDHDAWNIEQI-STQMWFEESA-N -1 3 356.369 3.182 20 0 FGADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]C2(C3(C)CC3)CC2)cc1Cl ZINC000569796392 506018647 /nfs/dbraw/zinc/01/86/47/506018647.db2.gz JLCSFBOAKGJXLI-UHFFFAOYSA-N -1 3 360.838 3.049 20 0 FGADHM O=S(=O)(CC[C@@H]1CCOC1)[N-]C(c1cccs1)c1cccs1 ZINC000293414577 498376001 /nfs/dbraw/zinc/37/60/01/498376001.db2.gz IGQDYNBUCJTEFR-LBPRGKRZSA-N -1 3 357.522 3.245 20 0 FGADHM CC(C)[C@@H]1CN(C(=O)NCc2nnc(C(F)(F)F)[n-]2)c2ccccc21 ZINC000331595035 498386191 /nfs/dbraw/zinc/38/61/91/498386191.db2.gz BVMDCOTXLBGVSZ-NSHDSACASA-N -1 3 353.348 3.293 20 0 FGADHM CC(C)[C@@H]1CN(C(=O)NCc2n[n-]c(C(F)(F)F)n2)c2ccccc21 ZINC000331595035 498386196 /nfs/dbraw/zinc/38/61/96/498386196.db2.gz BVMDCOTXLBGVSZ-NSHDSACASA-N -1 3 353.348 3.293 20 0 FGADHM CC(C)[C@@H]1CN(C(=O)NCc2nc(C(F)(F)F)n[n-]2)c2ccccc21 ZINC000331595035 498386200 /nfs/dbraw/zinc/38/62/00/498386200.db2.gz BVMDCOTXLBGVSZ-NSHDSACASA-N -1 3 353.348 3.293 20 0 FGADHM CCCCc1nc2ccc([N-]S(=O)(=O)c3ccc(N(C)C)nc3)cc2[nH]1 ZINC000578809631 506025632 /nfs/dbraw/zinc/02/56/32/506025632.db2.gz YLVFHZUYODCOMK-UHFFFAOYSA-N -1 3 373.482 3.167 20 0 FGADHM C[C@H](NCc1cccc([O-])c1Cl)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000293499803 498400408 /nfs/dbraw/zinc/40/04/08/498400408.db2.gz HDYUIFRAKFRCBR-LBPRGKRZSA-N -1 3 368.886 3.147 20 0 FGADHM CC(C)(C)c1nnc(C(=O)[N-]c2nc(C3CCOCC3)cs2)s1 ZINC000286460153 498404460 /nfs/dbraw/zinc/40/44/60/498404460.db2.gz SRLXWZSORBTQGJ-UHFFFAOYSA-N -1 3 352.485 3.438 20 0 FGADHM CCCc1nc(C)c(C(=O)[N-]c2cccnc2SCCC(=O)OC)o1 ZINC000293606332 498427001 /nfs/dbraw/zinc/42/70/01/498427001.db2.gz WFPDHQAIFQMWIQ-UHFFFAOYSA-N -1 3 363.439 3.238 20 0 FGADHM CC(C)(C)OC(=O)CC[C@H]1CCCN(C(=O)N=c2cc3ccccn3[n-]2)C1 ZINC000572704848 506032775 /nfs/dbraw/zinc/03/27/75/506032775.db2.gz XPMBERDMVRPYMT-OAHLLOKOSA-N -1 3 372.469 3.122 20 0 FGADHM O=S(=O)([N-]CCCc1nccs1)c1c(Cl)cccc1Cl ZINC000290166364 498448602 /nfs/dbraw/zinc/44/86/02/498448602.db2.gz PDSSVNSMIGXWFB-UHFFFAOYSA-N -1 3 351.280 3.361 20 0 FGADHM CO[C@@H](C)CS(=O)(=O)[N-]c1cccc(CC[C@H](O)c2ccccc2)c1 ZINC000282318093 498464144 /nfs/dbraw/zinc/46/41/44/498464144.db2.gz ZDCPRWCSCPGKEF-KXBFYZLASA-N -1 3 363.479 3.129 20 0 FGADHM CC(C)c1nc([C@H]2COCCN2C(=O)c2ccc(C(C)C)cc2[O-])no1 ZINC000331874091 498483981 /nfs/dbraw/zinc/48/39/81/498483981.db2.gz HOPUVSMUYWQNAL-OAHLLOKOSA-N -1 3 359.426 3.236 20 0 FGADHM Cc1noc([C@H]2C[C@H](O)CN2C(=O)c2cc(C(C)C)cc(C(C)C)c2[O-])n1 ZINC000331900404 498493557 /nfs/dbraw/zinc/49/35/57/498493557.db2.gz YQPFYJOMAAGQHX-WMLDXEAASA-N -1 3 373.453 3.279 20 0 FGADHM CCOc1cc(CNc2ccccc2OCCC(N)=O)cc(Cl)c1[O-] ZINC000297558878 498493721 /nfs/dbraw/zinc/49/37/21/498493721.db2.gz CDXJLLQSMVQOAZ-UHFFFAOYSA-N -1 3 364.829 3.311 20 0 FGADHM COC(=O)c1cccc([N-]C(=O)c2nc(C(C)C)ncc2Cl)c1F ZINC000297620024 498513840 /nfs/dbraw/zinc/51/38/40/498513840.db2.gz BFLSPPZNPAAGRD-UHFFFAOYSA-N -1 3 351.765 3.431 20 0 FGADHM COc1ccc([O-])c(C(=O)NCc2c(C)nn(-c3ccccc3)c2C)c1 ZINC000302645976 498523471 /nfs/dbraw/zinc/52/34/71/498523471.db2.gz WUZPOYKHRJQOMZ-UHFFFAOYSA-N -1 3 351.406 3.133 20 0 FGADHM Cc1cc(N2CCN(C(=O)c3ccc([O-])cc3)CC2)c2cccc(F)c2n1 ZINC000302688159 498532900 /nfs/dbraw/zinc/53/29/00/498532900.db2.gz YRYTXCJEGQHPTH-UHFFFAOYSA-N -1 3 365.408 3.350 20 0 FGADHM O=C([N-]C[C@H]1CCCN(C(=O)c2cccc(C3CCC3)c2)C1)C(F)(F)F ZINC000290422050 498546989 /nfs/dbraw/zinc/54/69/89/498546989.db2.gz RTTMSNYKUCXSST-CYBMUJFWSA-N -1 3 368.399 3.485 20 0 FGADHM CC(C)CO[C@H](C)c1noc(CN(C)C(=O)c2cc([O-])ccc2Cl)n1 ZINC000290434308 498551622 /nfs/dbraw/zinc/55/16/22/498551622.db2.gz WHPLATWTLWHIDS-LLVKDONJSA-N -1 3 367.833 3.434 20 0 FGADHM Cn1cc([C@@H](NC(=O)c2cc([O-])ccc2Cl)c2ccc(F)cc2)cn1 ZINC000365605731 498554422 /nfs/dbraw/zinc/55/44/22/498554422.db2.gz YSEKPCDBJSKLOK-KRWDZBQOSA-N -1 3 359.788 3.438 20 0 FGADHM O=C([N-]c1nnc(C2CCOCC2)s1)c1ncccc1C(F)(F)F ZINC000294009837 498560658 /nfs/dbraw/zinc/56/06/58/498560658.db2.gz DLIGJXNSFJCYOO-UHFFFAOYSA-N -1 3 358.345 3.098 20 0 FGADHM COc1cccc([C@@H](NC(=O)c2ccc(O)cc2[O-])c2cccnc2)c1 ZINC000362837304 498563052 /nfs/dbraw/zinc/56/30/52/498563052.db2.gz CZJCLMNYESNWMR-LJQANCHMSA-N -1 3 350.374 3.021 20 0 FGADHM CC(C)[C@@H](O)C1(C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000332111723 498564785 /nfs/dbraw/zinc/56/47/85/498564785.db2.gz FKPCKMBIJUKTAI-CYBMUJFWSA-N -1 3 352.283 3.069 20 0 FGADHM CCCc1nc([C@@H]([N-]S(=O)(=O)c2ccccc2)c2ccccc2)no1 ZINC000362934055 498582458 /nfs/dbraw/zinc/58/24/58/498582458.db2.gz WREMYBPAGFWCAW-KRWDZBQOSA-N -1 3 357.435 3.090 20 0 FGADHM CN(C(=O)c1cccc2[n-]nnc21)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000578950959 506058258 /nfs/dbraw/zinc/05/82/58/506058258.db2.gz YNONLECFRKWCAW-SJORKVTESA-N -1 3 350.422 3.276 20 0 FGADHM CN(C(=O)c1cccc2nn[n-]c21)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000578950959 506058260 /nfs/dbraw/zinc/05/82/60/506058260.db2.gz YNONLECFRKWCAW-SJORKVTESA-N -1 3 350.422 3.276 20 0 FGADHM CN(C(=O)c1cccc2n[n-]nc21)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000578950959 506058264 /nfs/dbraw/zinc/05/82/64/506058264.db2.gz YNONLECFRKWCAW-SJORKVTESA-N -1 3 350.422 3.276 20 0 FGADHM CC[C@H]1c2ccsc2CCN1C(=O)N=c1cc(OC(F)F)n(C)[n-]1 ZINC000332196171 498597836 /nfs/dbraw/zinc/59/78/36/498597836.db2.gz CJGHZDRASNENRD-JTQLQIEISA-N -1 3 356.398 3.046 20 0 FGADHM [O-]c1cc(F)cc(CN2CCOC[C@H]2c2nc(-c3ccccc3)no2)c1 ZINC000282663050 498601687 /nfs/dbraw/zinc/60/16/87/498601687.db2.gz GXQNVZDMASCNNN-KRWDZBQOSA-N -1 3 355.369 3.155 20 0 FGADHM CC1(C)C[C@H](NC(=O)c2ccc([N-]S(C)(=O)=O)cc2)c2ccccc21 ZINC000332266351 498625357 /nfs/dbraw/zinc/62/53/57/498625357.db2.gz FOFSTEJGBBSRPO-KRWDZBQOSA-N -1 3 358.463 3.211 20 0 FGADHM CCc1nc([C@@H]2CCCN(Cc3cc(=O)oc4c(C)c([O-])ccc34)C2)no1 ZINC000363089321 498643757 /nfs/dbraw/zinc/64/37/57/498643757.db2.gz CVKYWAWZAALCNG-CYBMUJFWSA-N -1 3 369.421 3.132 20 0 FGADHM COc1cc(NC(=O)C(C)(C)C)c(C(=O)Nc2ncccc2[O-])cc1OC ZINC000298074752 498656674 /nfs/dbraw/zinc/65/66/74/498656674.db2.gz DFLDIHSDSPBILD-UHFFFAOYSA-N -1 3 373.409 3.041 20 0 FGADHM O=C(Nc1ccccc1[O-])C1CCN(C(=O)c2cc3c([nH]2)CCCC3)CC1 ZINC000294373200 498673217 /nfs/dbraw/zinc/67/32/17/498673217.db2.gz KJYKHQGQVVFYFW-UHFFFAOYSA-N -1 3 367.449 3.090 20 0 FGADHM C[C@@H]1C[C@H](C(C)(C)C)CCN1C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000572874496 506072683 /nfs/dbraw/zinc/07/26/83/506072683.db2.gz HDVDJTBDFJVSIU-UKRRQHHQSA-N -1 3 352.500 3.345 20 0 FGADHM CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000579023244 506076118 /nfs/dbraw/zinc/07/61/18/506076118.db2.gz LALLRCKYNFCUIY-XYJFISCASA-N -1 3 367.449 3.141 20 0 FGADHM CC(C)(C)C(=O)N[C@H]1CCCN(C(=O)c2cc3c(cc2[O-])CCCC3)C1 ZINC000332517516 498710192 /nfs/dbraw/zinc/71/01/92/498710192.db2.gz KPJFGNLTCILDQD-INIZCTEOSA-N -1 3 358.482 3.038 20 0 FGADHM O=C(c1cc([O-])ccc1Cl)N1CCOC[C@H]1C[C@@H](O)c1ccccc1 ZINC000290885571 498711295 /nfs/dbraw/zinc/71/12/95/498711295.db2.gz BSULQEYIRBNRRN-RDTXWAMCSA-N -1 3 361.825 3.010 20 0 FGADHM CC[C@@H](C)N(C)CC[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000303816016 498716794 /nfs/dbraw/zinc/71/67/94/498716794.db2.gz LYSQCAUEJYWXIJ-SNVBAGLBSA-N -1 3 372.840 3.367 20 0 FGADHM COc1ncccc1CNC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000303826608 498719324 /nfs/dbraw/zinc/71/93/24/498719324.db2.gz QEQLSVZMGLLJNE-UHFFFAOYSA-N -1 3 364.401 3.305 20 0 FGADHM CCc1ccc(NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)cc1C ZINC000332562688 498725937 /nfs/dbraw/zinc/72/59/37/498725937.db2.gz XMSLYPYITLFSAR-UHFFFAOYSA-N -1 3 367.449 3.253 20 0 FGADHM CC1(C)C[C@H]1C[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000305996880 498736994 /nfs/dbraw/zinc/73/69/94/498736994.db2.gz HYXPUTNJTUTGHI-QMMMGPOBSA-N -1 3 352.681 3.427 20 0 FGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2ccsc2C)cc1OC ZINC000294583354 498737574 /nfs/dbraw/zinc/73/75/74/498737574.db2.gz VGDJNSIYNNRDRK-UHFFFAOYSA-N -1 3 354.453 3.079 20 0 FGADHM Cc1ccc(CC[C@@H](C)NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])o1 ZINC000363281221 498743710 /nfs/dbraw/zinc/74/37/10/498743710.db2.gz XEFFDXPQHWSNHW-KDOFPFPSSA-N -1 3 370.449 3.036 20 0 FGADHM CCC(CC)(C[N-]S(=O)(=O)c1ccc(F)cc1Br)OC ZINC000312689154 498760642 /nfs/dbraw/zinc/76/06/42/498760642.db2.gz DXEDNKPLWBJFMW-UHFFFAOYSA-N -1 3 368.268 3.072 20 0 FGADHM Cc1ccc(C(=O)N(C)[C@H](c2ccc(F)cc2)c2ncccn2)c([O-])c1 ZINC000363397589 498799508 /nfs/dbraw/zinc/79/95/08/498799508.db2.gz SJULRTUKZHWQLD-GOSISDBHSA-N -1 3 351.381 3.491 20 0 FGADHM CC(C)OCc1nc([C@H](C)NC(=O)c2cc([O-])c3ccccc3c2)no1 ZINC000291124581 498805964 /nfs/dbraw/zinc/80/59/64/498805964.db2.gz CUFZETHAAGXUJX-LBPRGKRZSA-N -1 3 355.394 3.344 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@@H]1CCCCC12CCCC2 ZINC000332867492 498819252 /nfs/dbraw/zinc/81/92/52/498819252.db2.gz KJIGVDHQSHKXAA-ZIAGYGMSSA-N -1 3 370.540 3.034 20 0 FGADHM CC[C@](C)(C[N-]S(=O)(=O)c1c(Cl)cccc1Br)OC ZINC000322895569 498819790 /nfs/dbraw/zinc/81/97/90/498819790.db2.gz ZUWYGJLDLHBHPH-GFCCVEGCSA-N -1 3 370.696 3.196 20 0 FGADHM CC(C)n1ncc2cc(S(=O)(=O)[N-][C@H](C3CC3)C(F)(F)F)ccc21 ZINC000576188115 506096490 /nfs/dbraw/zinc/09/64/90/506096490.db2.gz QPVMFECLUASGQR-CQSZACIVSA-N -1 3 361.389 3.236 20 0 FGADHM O=C(c1ccc(F)cc1)N1CCCN(Cc2c(F)ccc([O-])c2F)CC1 ZINC000294855070 498828148 /nfs/dbraw/zinc/82/81/48/498828148.db2.gz JAEMWRONIALWIJ-UHFFFAOYSA-N -1 3 364.367 3.158 20 0 FGADHM Cn1nc(-c2ccccc2)nc1CCNC(=O)c1cc([O-])c2ccccc2c1 ZINC000366226173 498831452 /nfs/dbraw/zinc/83/14/52/498831452.db2.gz CPVKRJUYXZBCIV-UHFFFAOYSA-N -1 3 372.428 3.313 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)c1cc(F)ccc1C(=O)OC)C1CCCCC1 ZINC000326414314 498842580 /nfs/dbraw/zinc/84/25/80/498842580.db2.gz SZZYYJBDCIKNDG-HNNXBMFYSA-N -1 3 357.447 3.250 20 0 FGADHM Cc1cccc([C@H](C)[N-]S(=O)(=O)c2cn(C)nc2C(F)(F)F)c1C ZINC000573025672 506101356 /nfs/dbraw/zinc/10/13/56/506101356.db2.gz VLBWSKZQUCIILF-NSHDSACASA-N -1 3 361.389 3.095 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N3C[C@]4(CCCO4)[C@H]3C3CC3)c[n-]c12 ZINC000294933791 498854528 /nfs/dbraw/zinc/85/45/28/498854528.db2.gz RGAZCHPGBFCOEG-UYAOXDASSA-N -1 3 356.397 3.172 20 0 FGADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000287791282 498864445 /nfs/dbraw/zinc/86/44/45/498864445.db2.gz JCUCEBXRHCBEHU-KRWDZBQOSA-N -1 3 357.372 3.191 20 0 FGADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CCC(Oc2ccccn2)CC1 ZINC000333044154 498880138 /nfs/dbraw/zinc/88/01/38/498880138.db2.gz KDKYDOYRDMBZET-UHFFFAOYSA-N -1 3 352.434 3.350 20 0 FGADHM CC(C)COc1ccc(S(=O)(=O)[N-][C@H](C2CC2)C(F)(F)F)cc1 ZINC000570122968 506095736 /nfs/dbraw/zinc/09/57/36/506095736.db2.gz LTMSGHARMYPITQ-CQSZACIVSA-N -1 3 351.390 3.341 20 0 FGADHM CN1CC[C@H]2CCN(C(=O)c3cc(Oc4ccccc4)ccc3[O-])[C@H]2C1 ZINC000333071625 498890419 /nfs/dbraw/zinc/89/04/19/498890419.db2.gz OVVSBBHBLBMCNH-KXBFYZLASA-N -1 3 352.434 3.351 20 0 FGADHM CC1(C)Cc2ccc(C(=O)N3CCCCC[C@@H]3c3ncon3)c([O-])c2O1 ZINC000333108378 498901404 /nfs/dbraw/zinc/90/14/04/498901404.db2.gz WWKCYXJTTLCWLI-CQSZACIVSA-N -1 3 357.410 3.246 20 0 FGADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCC(F)(F)[C@H](CO)C1 ZINC000291343609 498903367 /nfs/dbraw/zinc/90/33/67/498903367.db2.gz VMYLVATVUYKPTN-INIZCTEOSA-N -1 3 361.388 3.073 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)NC3CCC4(CCOCC4)CC3)c[n-]c12 ZINC000366414504 498915057 /nfs/dbraw/zinc/91/50/57/498915057.db2.gz PXIJCGPIEFEZJB-UHFFFAOYSA-N -1 3 372.440 3.445 20 0 FGADHM CC[C@H](Sc1ccccc1)C(=O)N=c1[n-]n(C)cc1Br ZINC000582004401 506111085 /nfs/dbraw/zinc/11/10/85/506111085.db2.gz OIRIBBZPHFJENC-LBPRGKRZSA-N -1 3 354.273 3.114 20 0 FGADHM CCSc1cccc(Br)c1[N-]C(=O)c1nnn(C)c1C ZINC000291385075 498920194 /nfs/dbraw/zinc/92/01/94/498920194.db2.gz FTJLKXTYFCJACD-UHFFFAOYSA-N -1 3 355.261 3.250 20 0 FGADHM CS(=O)(=O)[N-]c1cc(C(=O)N2CCC[C@@H]2c2ccccc2)ccc1F ZINC000363650037 498925206 /nfs/dbraw/zinc/92/52/06/498925206.db2.gz BUEQGOJBFZKMII-QGZVFWFLSA-N -1 3 362.426 3.175 20 0 FGADHM CCc1cc(C(=O)Nc2cccc(NC(=O)OCCOC)c2)ccc1[O-] ZINC000291409630 498928164 /nfs/dbraw/zinc/92/81/64/498928164.db2.gz CDNXJVLSJOZRHD-UHFFFAOYSA-N -1 3 358.394 3.402 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N3Cc4ccccc4OC[C@H]3C)c[n-]c12 ZINC000363677136 498939855 /nfs/dbraw/zinc/93/98/55/498939855.db2.gz YABACWGXCOCHPQ-CYBMUJFWSA-N -1 3 366.392 3.399 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(N(C(C)=O)[C@H]3C[C@@H]3C)cc2)cc1 ZINC000295212743 498945239 /nfs/dbraw/zinc/94/52/39/498945239.db2.gz PNOVRSGFELIRNI-DJJJIMSYSA-N -1 3 374.462 3.257 20 0 FGADHM CCc1cc(C(=O)NC2CCN(C(=O)c3ccccc3F)CC2)ccc1[O-] ZINC000291462211 498950354 /nfs/dbraw/zinc/95/03/54/498950354.db2.gz KSBYNQLPCAYGGY-UHFFFAOYSA-N -1 3 370.424 3.128 20 0 FGADHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CCCC[C@H]1Cc1ccc(F)cc1 ZINC000570223917 506118954 /nfs/dbraw/zinc/11/89/54/506118954.db2.gz IZPSPGCUAOKZGW-INIZCTEOSA-N -1 3 355.413 3.436 20 0 FGADHM C[C@@H]1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])CC12CCC2 ZINC000333303078 498973764 /nfs/dbraw/zinc/97/37/64/498973764.db2.gz TXQFZNAKRMLPLZ-NVXWUHKLSA-N -1 3 356.466 3.036 20 0 FGADHM COC[C@@H]([N-]S(=O)(=O)c1sccc1OC)c1cccc(Cl)c1 ZINC000288263161 498979298 /nfs/dbraw/zinc/97/92/98/498979298.db2.gz ANUXVXVCGSUKBF-GFCCVEGCSA-N -1 3 361.872 3.076 20 0 FGADHM O=C([O-])[C@@]1(C(F)(F)F)CCN(CCOc2ccc(C(F)(F)F)cc2)C1 ZINC000576286459 506122192 /nfs/dbraw/zinc/12/21/92/506122192.db2.gz YZWKQIHLOLWAKA-CYBMUJFWSA-N -1 3 371.277 3.423 20 0 FGADHM C[C@@H](CCCNC(=O)OC(C)(C)C)NC(=O)c1cc([O-])ccc1Cl ZINC000295340711 498986090 /nfs/dbraw/zinc/98/60/90/498986090.db2.gz JQLDLSBFTOTHHW-NSHDSACASA-N -1 3 356.850 3.469 20 0 FGADHM CCC(=O)N1CCC[C@H]1[C@@H]1CCCN1C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000363792377 498995016 /nfs/dbraw/zinc/99/50/16/498995016.db2.gz FWXLDWNKVDOMTP-OALUTQOASA-N -1 3 370.493 3.277 20 0 FGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@H]1CCc2ccccc21 ZINC000299248804 499006182 /nfs/dbraw/zinc/00/61/82/499006182.db2.gz CDWSEVUXCCBENW-IBGZPJMESA-N -1 3 374.444 3.289 20 0 FGADHM Cc1ccc2[n-]cc(C(=O)N3CC[C@H](n4cc(Cl)cn4)C3)c(=O)c2c1 ZINC000291637366 499018849 /nfs/dbraw/zinc/01/88/49/499018849.db2.gz VHRBKNVCTRFUJM-ZDUSSCGKSA-N -1 3 356.813 3.186 20 0 FGADHM O=S(=O)(CCC(F)(F)F)[N-][C@@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000288473844 499035457 /nfs/dbraw/zinc/03/54/57/499035457.db2.gz UPMOFEYVFCUSNV-JKSUJKDBSA-N -1 3 373.396 3.333 20 0 FGADHM CCN(CC(C)(C)C)C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000291729558 499049894 /nfs/dbraw/zinc/04/98/94/499049894.db2.gz ALNQOFBMPAMTRD-UHFFFAOYSA-N -1 3 371.503 3.357 20 0 FGADHM CCc1cc(C(=O)N(C)Cc2nc([C@H](C)OCC(C)C)no2)ccc1[O-] ZINC000291739107 499052928 /nfs/dbraw/zinc/05/29/28/499052928.db2.gz CTMIWSDYOULUOU-ZDUSSCGKSA-N -1 3 361.442 3.343 20 0 FGADHM Cc1nc(C)c(CCC(=O)Nc2cc(C3C(C)(C)C3(C)C)[nH]n2)c(=O)[n-]1 ZINC000295591446 499058753 /nfs/dbraw/zinc/05/87/53/499058753.db2.gz MGLWPMGHXFZSRM-UHFFFAOYSA-N -1 3 357.458 3.243 20 0 FGADHM Cc1ccccc1-c1cc(NC(=O)CCc2c(C)nc(C)[n-]c2=O)n[nH]1 ZINC000299450666 499062790 /nfs/dbraw/zinc/06/27/90/499062790.db2.gz IWVWHVKOVJQSDT-UHFFFAOYSA-N -1 3 351.410 3.069 20 0 FGADHM O=S(=O)(CCC(F)(F)F)[N-][C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000284237657 499073786 /nfs/dbraw/zinc/07/37/86/499073786.db2.gz JNWFVIHCQYHCMS-NEPJUHHUSA-N -1 3 357.781 3.042 20 0 FGADHM COc1ccccc1[C@H]([N-]S(=O)(=O)CCC(F)(F)F)c1ccccn1 ZINC000284408203 499103737 /nfs/dbraw/zinc/10/37/37/499103737.db2.gz UJYBSMBCOYAXSP-HNNXBMFYSA-N -1 3 374.384 3.051 20 0 FGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1cc(-c2ncco2)ccc1C ZINC000366977589 499125781 /nfs/dbraw/zinc/12/57/81/499125781.db2.gz QNHCOTVDOMAUTE-UHFFFAOYSA-N -1 3 356.407 3.428 20 0 FGADHM Cc1ccc(N2C[C@H](c3nc(-c4ccc([O-])cc4)no3)CC2=O)c(F)c1 ZINC000364161000 499125918 /nfs/dbraw/zinc/12/59/18/499125918.db2.gz KGIFURKYRVGRAD-CYBMUJFWSA-N -1 3 353.353 3.410 20 0 FGADHM C[C@@]1(c2ccc(C(=O)Nc3cnc4c(c3)CCCC4)cc2)NC(=O)[N-]C1=O ZINC000329480566 499127147 /nfs/dbraw/zinc/12/71/47/499127147.db2.gz VNGPVNWGTRSASM-FQEVSTJZSA-N -1 3 364.405 3.312 20 0 FGADHM COc1cc(C(=O)N2CCC(=Cc3cc(C)on3)CC2)cc(OC)c1[O-] ZINC000367030331 499136788 /nfs/dbraw/zinc/13/67/88/499136788.db2.gz QCAXXQUQHSEIIE-UHFFFAOYSA-N -1 3 358.394 3.025 20 0 FGADHM CC1(C)CN(C(=O)c2ccc(C(=O)c3cccc([O-])c3)cc2)CCCO1 ZINC000372604569 499152521 /nfs/dbraw/zinc/15/25/21/499152521.db2.gz YZRMJZMZORBRKH-UHFFFAOYSA-N -1 3 353.418 3.264 20 0 FGADHM COc1cc(C(=O)N2CCC(Nc3ccc(C)cc3)CC2)cc(OC)c1[O-] ZINC000367199294 499160308 /nfs/dbraw/zinc/16/03/08/499160308.db2.gz BRPXMVWTLKRWJI-UHFFFAOYSA-N -1 3 370.449 3.435 20 0 FGADHM Cc1noc([C@@H]([N-]C(=O)C(F)(F)c2ccc(C)cc2)C2CCOCC2)n1 ZINC000370175591 499193212 /nfs/dbraw/zinc/19/32/12/499193212.db2.gz UJGTWMYPUWYINC-HNNXBMFYSA-N -1 3 365.380 3.062 20 0 FGADHM CCc1nc(-c2ccccc2NC(=O)c2cc(OC)c([O-])c(OC)c2)n[nH]1 ZINC000370380861 499215016 /nfs/dbraw/zinc/21/50/16/499215016.db2.gz SMRATXMDVCBRRR-UHFFFAOYSA-N -1 3 368.393 3.009 20 0 FGADHM Cc1csc(NC(=O)CSCc2noc(-c3ccccc3[O-])n2)n1 ZINC000370536806 499229653 /nfs/dbraw/zinc/22/96/53/499229653.db2.gz XJDZGXWIVBEEAA-UHFFFAOYSA-N -1 3 362.436 3.079 20 0 FGADHM CCc1cc(C(=O)NC2CCN(C(=O)c3cccc([O-])c3)CC2)oc1CC ZINC000370722968 499248356 /nfs/dbraw/zinc/24/83/56/499248356.db2.gz QMPFRMROLJQLCK-UHFFFAOYSA-N -1 3 370.449 3.145 20 0 FGADHM CCc1ccc(C(=O)N2CCC(C(=O)Nc3c(C)cccc3[O-])CC2)o1 ZINC000368015024 499254835 /nfs/dbraw/zinc/25/48/35/499254835.db2.gz FHRKSEFLYAXLGD-UHFFFAOYSA-N -1 3 356.422 3.347 20 0 FGADHM COc1ccccc1[C@H](NC(=O)c1cc([O-])ccc1Cl)c1noc(C)n1 ZINC000368157530 499270034 /nfs/dbraw/zinc/27/00/34/499270034.db2.gz GTGUWAYJVUKOII-INIZCTEOSA-N -1 3 373.796 3.265 20 0 FGADHM O=C(NC1CCN(Cc2cccs2)CC1)c1cc(F)c(F)c([O-])c1F ZINC000368199285 499273396 /nfs/dbraw/zinc/27/33/96/499273396.db2.gz IDLWIMZGBNSNES-UHFFFAOYSA-N -1 3 370.396 3.265 20 0 FGADHM CCc1cc(C(=O)N[C@@H](c2nccn2C)c2cccc(F)c2)ccc1[O-] ZINC000368290733 499282207 /nfs/dbraw/zinc/28/22/07/499282207.db2.gz OJIDPHVDBHAKLB-GOSISDBHSA-N -1 3 353.397 3.347 20 0 FGADHM O=C([O-])c1ccccc1OCCN1CC[C@]2(C1)CCc1ccccc1O2 ZINC000576360620 506139938 /nfs/dbraw/zinc/13/99/38/506139938.db2.gz KFQOAPOAVRLLRD-NRFANRHFSA-N -1 3 353.418 3.233 20 0 FGADHM COCc1noc(-c2cccc(NC(=O)c3cc(C)ccc3[O-])c2C)n1 ZINC000371395992 499320456 /nfs/dbraw/zinc/32/04/56/499320456.db2.gz LQHIMVVAAVYGMM-UHFFFAOYSA-N -1 3 353.378 3.458 20 0 FGADHM C[C@@H](C(=O)N1CCCCCC1)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000368935398 499348627 /nfs/dbraw/zinc/34/86/27/499348627.db2.gz YMBAQEIWJZVYOP-INIZCTEOSA-N -1 3 358.482 3.355 20 0 FGADHM Cc1nc(C)c(CCC(=O)N2CCC[C@@H]2/C=C/c2ccccc2)c(=O)[n-]1 ZINC000371648401 499350324 /nfs/dbraw/zinc/35/03/24/499350324.db2.gz ZCNWCPFIRLXXBJ-DOJUMQAQSA-N -1 3 351.450 3.436 20 0 FGADHM CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(C(=O)c3cccc([O-])c3)C[C@H]21 ZINC000371760824 499362675 /nfs/dbraw/zinc/36/26/75/499362675.db2.gz RCJUAEBKHLBLST-DJIMGWMZSA-N -1 3 360.454 3.158 20 0 FGADHM O=C(Nc1ccccc1[O-])C1CCN(C(=O)[C@H]2CCC(F)(F)C2)CC1 ZINC000369101876 499365962 /nfs/dbraw/zinc/36/59/62/499365962.db2.gz SHWNISLEMPQDBF-ZDUSSCGKSA-N -1 3 352.381 3.005 20 0 FGADHM COc1ccc([O-])c(C(=O)N(C)[C@H](c2ccc(F)cc2)c2ncccn2)c1 ZINC000369126588 499368231 /nfs/dbraw/zinc/36/82/31/499368231.db2.gz SLTPPFDBCVBONZ-GOSISDBHSA-N -1 3 367.380 3.192 20 0 FGADHM Cc1c2cccc(Cl)c2oc1C(=O)[N-]c1ncn(-c2cccnc2)n1 ZINC000371822401 499368964 /nfs/dbraw/zinc/36/89/64/499368964.db2.gz KAFWIXBQJAXIQF-UHFFFAOYSA-N -1 3 353.769 3.045 20 0 FGADHM Cn1cc(-c2cncc(C(=O)Nc3cc(Br)ccc3[O-])c2)cn1 ZINC000371911673 499378494 /nfs/dbraw/zinc/37/84/94/499378494.db2.gz OTUABDZLDCZNDV-UHFFFAOYSA-N -1 3 373.210 3.203 20 0 FGADHM CCCC1(CNC(=O)NC2CCN(C(=O)c3cccc([O-])c3)CC2)CCC1 ZINC000371957617 499384043 /nfs/dbraw/zinc/38/40/43/499384043.db2.gz XKERWQOIWOBZDH-UHFFFAOYSA-N -1 3 373.497 3.266 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-]Cc1cccc(-c2cccnc2)c1 ZINC000372068170 499395438 /nfs/dbraw/zinc/39/54/38/499395438.db2.gz LWRXQUMOKXEXBG-UHFFFAOYSA-N -1 3 360.460 3.297 20 0 FGADHM C[C@@H](CNC(=O)c1cc(=O)c2ccccc2[n-]1)c1nc(-c2ccccc2)no1 ZINC000372373600 499426114 /nfs/dbraw/zinc/42/61/14/499426114.db2.gz OKBMVDLHXSDNGB-ZDUSSCGKSA-N -1 3 374.400 3.112 20 0 FGADHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H](C)N3[C@H](C)CC[C@H]3C)c2)n1 ZINC000372392899 499428280 /nfs/dbraw/zinc/42/82/80/499428280.db2.gz MTBRZRKOCSPUDX-KFWWJZLASA-N -1 3 354.454 3.357 20 0 FGADHM O=C(N[C@H]1CCN(c2c(F)cccc2F)C1)c1cc([O-])ccc1Cl ZINC000373016272 499447533 /nfs/dbraw/zinc/44/75/33/499447533.db2.gz WDOTXESZGKLOOE-JTQLQIEISA-N -1 3 352.768 3.333 20 0 FGADHM O=C(Nc1ccccc1[O-])[C@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12 ZINC000373018676 499447614 /nfs/dbraw/zinc/44/76/14/499447614.db2.gz CEQGKQMHOGLGHU-BEFAXECRSA-N -1 3 372.421 3.061 20 0 FGADHM C[C@H]1CCN(C(=O)[C@@H]2CC(=O)N(C)c3ccccc32)c2c([O-])cccc21 ZINC000373363639 499465526 /nfs/dbraw/zinc/46/55/26/499465526.db2.gz RKUWYTCDCBBTQS-XJKSGUPXSA-N -1 3 350.418 3.383 20 0 FGADHM COc1ccc(-c2ccc([N-]C(=O)c3cccc[n+]3[O-])nc2)cc1Cl ZINC000373416517 499468488 /nfs/dbraw/zinc/46/84/88/499468488.db2.gz HZQCPTFIMAMFQI-UHFFFAOYSA-N -1 3 355.781 3.296 20 0 FGADHM Cc1csc(NC2CCN(C(=O)NCc3ccc([O-])c(F)c3)CC2)n1 ZINC000373493108 499473040 /nfs/dbraw/zinc/47/30/40/499473040.db2.gz CPTQABWTSURZDG-UHFFFAOYSA-N -1 3 364.446 3.082 20 0 FGADHM CCc1ccc(C(=O)N2CCC(C(=O)Nc3ncccc3C)CC2)c([O-])c1 ZINC000373640499 499481326 /nfs/dbraw/zinc/48/13/26/499481326.db2.gz QSPFRMMBNSNIAY-UHFFFAOYSA-N -1 3 367.449 3.149 20 0 FGADHM COc1cc(C(=O)Nc2cc(-c3cnccn3)ccc2C)cc(OC)c1[O-] ZINC000373714648 499484669 /nfs/dbraw/zinc/48/46/69/499484669.db2.gz MAVHDMNBFGTBKX-UHFFFAOYSA-N -1 3 365.389 3.427 20 0 FGADHM CS(=O)(=O)[N-]c1cc(C(=O)N2CCCC23CCCCC3)ccc1F ZINC000378288562 499498240 /nfs/dbraw/zinc/49/82/40/499498240.db2.gz DBXUAYSSFNTSJV-UHFFFAOYSA-N -1 3 354.447 3.136 20 0 FGADHM O=S(=O)([N-][C@@H](c1ccccc1)[C@H]1CCOC1)c1cc(F)cc(F)c1 ZINC000378379621 499509526 /nfs/dbraw/zinc/50/95/26/499509526.db2.gz RCUHYXQVLCQNRL-GUYCJALGSA-N -1 3 353.390 3.021 20 0 FGADHM CCOC(=O)c1ccc(NC(=O)c2c(C)onc2-c2ccccn2)c([O-])c1 ZINC000378432599 499516368 /nfs/dbraw/zinc/51/63/68/499516368.db2.gz XFSFGJKJAVCMHB-UHFFFAOYSA-N -1 3 367.361 3.180 20 0 FGADHM CN(Cc1cc(=O)oc2cc([O-])c(Cl)cc12)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000375699603 499546699 /nfs/dbraw/zinc/54/66/99/499546699.db2.gz AXTUSPFGODOYRX-PDSMFRHLSA-N -1 3 363.841 3.397 20 0 FGADHM CC(C)(Oc1ccc(Cl)cc1)C(=O)N=c1[nH][n-]cc1Br ZINC000383803289 499547135 /nfs/dbraw/zinc/54/71/35/499547135.db2.gz OQQAJIRWZVLUSP-UHFFFAOYSA-N -1 3 358.623 3.044 20 0 FGADHM O=C(c1cc([O-])c2ccccc2c1)N1CCC[C@H](N2CCCCC2=O)C1 ZINC000375707244 499547580 /nfs/dbraw/zinc/54/75/80/499547580.db2.gz MJHKXWSFPIWWKX-KRWDZBQOSA-N -1 3 352.434 3.163 20 0 FGADHM O=S(=O)([N-][C@H](CO)C1CCCCC1)c1c(Cl)cccc1Cl ZINC000386194286 499548940 /nfs/dbraw/zinc/54/89/40/499548940.db2.gz QMCKJYNCUYCYCG-CYBMUJFWSA-N -1 3 352.283 3.213 20 0 FGADHM CN(C(=O)c1cccc(C(=O)[O-])c1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000388564960 499551563 /nfs/dbraw/zinc/55/15/63/499551563.db2.gz ARDQTCCIDJALKJ-LJQANCHMSA-N -1 3 352.434 3.121 20 0 FGADHM COc1ccc(Br)cc1S(=O)(=O)[N-]CC1(C2CC2)CCC1 ZINC000393650632 499560657 /nfs/dbraw/zinc/56/06/57/499560657.db2.gz NNNIAVDVFRZSKT-UHFFFAOYSA-N -1 3 374.300 3.316 20 0 FGADHM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2Br)CS1 ZINC000397860403 499565042 /nfs/dbraw/zinc/56/50/42/499565042.db2.gz OFSZOGZNHRLWKI-JGVFFNPUSA-N -1 3 370.721 3.275 20 0 FGADHM COc1ccc(Br)cc1S(=O)(=O)[N-][C@@H](C)CCC1CC1 ZINC000398097626 499566194 /nfs/dbraw/zinc/56/61/94/499566194.db2.gz RFGSWWLXXRBDBI-JTQLQIEISA-N -1 3 362.289 3.315 20 0 FGADHM CC[C@H](O)CCC[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000398485521 499567512 /nfs/dbraw/zinc/56/75/12/499567512.db2.gz GGEGSFRMPVCILG-JTQLQIEISA-N -1 3 359.797 3.188 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]Cc2sccc2Br)c(F)c1 ZINC000404967131 499570742 /nfs/dbraw/zinc/57/07/42/499570742.db2.gz JEVZTBMWULVZOJ-UHFFFAOYSA-N -1 3 364.261 3.437 20 0 FGADHM C[C@@H](CCC(=O)[O-])NCc1cc(Cl)ccc1I ZINC000405280020 499571174 /nfs/dbraw/zinc/57/11/74/499571174.db2.gz AZXCYYNHHSOQIE-QMMMGPOBSA-N -1 3 367.614 3.288 20 0 FGADHM COc1cc(C(=O)N2CCN(C)CC23CCCCC3)cc(Cl)c1[O-] ZINC000408435674 499588652 /nfs/dbraw/zinc/58/86/52/499588652.db2.gz ZAWJONVDCPTKOZ-UHFFFAOYSA-N -1 3 352.862 3.145 20 0 FGADHM COc1nc(C(=O)[N-]c2nnc(-c3c[nH]nc3C)s2)cc2ccccc21 ZINC000376394877 499605474 /nfs/dbraw/zinc/60/54/74/499605474.db2.gz BMDFCHIPXJBZMG-UHFFFAOYSA-N -1 3 366.406 3.046 20 0 FGADHM O=C(NC1CCN(C(=O)c2cccc([O-])c2)CC1)C1CCCCCCC1 ZINC000376528910 499615905 /nfs/dbraw/zinc/61/59/05/499615905.db2.gz ZSYULCOASGQQJO-UHFFFAOYSA-N -1 3 358.482 3.474 20 0 FGADHM CCCc1occc1C(=O)N=c1[nH][n-]c(C)c1-c1ccc2c(c1)OCCO2 ZINC000409851094 499625344 /nfs/dbraw/zinc/62/53/44/499625344.db2.gz PBODEAOEFLGIBE-UHFFFAOYSA-N -1 3 367.405 3.376 20 0 FGADHM O=S(=O)([N-]CCc1cccc2[nH]ccc21)c1ccc(F)cc1Cl ZINC000409930012 499630064 /nfs/dbraw/zinc/63/00/64/499630064.db2.gz CELFLWPPSHFDKE-UHFFFAOYSA-N -1 3 352.818 3.481 20 0 FGADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@@H](CO)c1cccc(Cl)c1F ZINC000410110842 499642637 /nfs/dbraw/zinc/64/26/37/499642637.db2.gz WOVLQAVSCIPINI-HNNXBMFYSA-N -1 3 369.795 3.496 20 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/nfs/dbraw/zinc/72/45/60/499724560.db2.gz MKRMWFLFKCZFTB-INIZCTEOSA-N -1 3 354.454 3.096 20 0 FGADHM CC1(C)CCC(CNC(=O)C(=O)[N-]c2nccn2-c2ccccc2)CC1 ZINC000411322510 499725706 /nfs/dbraw/zinc/72/57/06/499725706.db2.gz JWUIBGNWHZXBPI-UHFFFAOYSA-N -1 3 354.454 3.143 20 0 FGADHM C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)c1cc([O-])ccc1Cl ZINC000377891255 499745774 /nfs/dbraw/zinc/74/57/74/499745774.db2.gz CMNLDWCOASMSRC-ACJLOTCBSA-N -1 3 359.857 3.081 20 0 FGADHM Cc1noc(C)c1CO[C@H]1CCN(C(=O)c2cc([O-])ccc2Cl)C1 ZINC000378136601 499760595 /nfs/dbraw/zinc/76/05/95/499760595.db2.gz MGNCZUGUBFPFTG-ZDUSSCGKSA-N -1 3 350.802 3.082 20 0 FGADHM Cc1csc([C@H]([N-]S(=O)(=O)C[C@@H](C)COC2CCCC2)C2CC2)n1 ZINC000582206885 506158568 /nfs/dbraw/zinc/15/85/68/506158568.db2.gz AUKTTYCXLAXJQV-BLLLJJGKSA-N -1 3 372.556 3.417 20 0 FGADHM C[C@@H](C(=O)Nc1nnc(-c2cc3ccccc3o2)[n-]1)C(=O)OC(C)(C)C ZINC000414255263 499771537 /nfs/dbraw/zinc/77/15/37/499771537.db2.gz KLEKWEJVKFDCAL-JTQLQIEISA-N -1 3 356.382 3.134 20 0 FGADHM C[C@@H](C(=O)Nc1nc(-c2cc3ccccc3o2)n[n-]1)C(=O)OC(C)(C)C ZINC000414255263 499771538 /nfs/dbraw/zinc/77/15/38/499771538.db2.gz KLEKWEJVKFDCAL-JTQLQIEISA-N -1 3 356.382 3.134 20 0 FGADHM C[C@@H](C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1)C(=O)OC(C)(C)C ZINC000414255263 499771540 /nfs/dbraw/zinc/77/15/40/499771540.db2.gz KLEKWEJVKFDCAL-JTQLQIEISA-N -1 3 356.382 3.134 20 0 FGADHM CCc1ncc(CN2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)cn1 ZINC000414368567 499781945 /nfs/dbraw/zinc/78/19/45/499781945.db2.gz HLWHSJDODKEJKR-UHFFFAOYSA-N -1 3 374.872 3.249 20 0 FGADHM CCOC(=O)CC1(S(=O)(=O)[N-]c2ccc3c4c(cccc42)CC3)CC1 ZINC000414370654 499782081 /nfs/dbraw/zinc/78/20/81/499782081.db2.gz LFVKEIDUHAJCOZ-UHFFFAOYSA-N -1 3 359.447 3.166 20 0 FGADHM Cc1cc([N-]S(=O)(=O)c2c(F)cccc2F)ccc1OCCN(C)C ZINC000414390464 499785505 /nfs/dbraw/zinc/78/55/05/499785505.db2.gz XOYAEEZIHMPHRN-UHFFFAOYSA-N -1 3 370.421 3.014 20 0 FGADHM Cc1cc([N-]S(=O)(=O)c2cnccc2C(F)(F)F)ccc1CN(C)C ZINC000414465662 499795338 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FGADHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CCC[C@H](Oc2ccccc2Cl)C1 ZINC000576475939 506168022 /nfs/dbraw/zinc/16/80/22/506168022.db2.gz AUTAVIBTFXWFIJ-ZDUSSCGKSA-N -1 3 373.840 3.397 20 0 FGADHM CC(C)C[C@H](CNC(=O)c1cc(=O)c2ccccc2[n-]1)C(=O)OC(C)(C)C ZINC000424951289 499974722 /nfs/dbraw/zinc/97/47/22/499974722.db2.gz JNGZVZWUGCVYLG-CQSZACIVSA-N -1 3 372.465 3.262 20 0 FGADHM Cc1cc(C)c(-c2cc(=NC(=O)c3c[nH]cc3-c3cnn(C)c3)[nH][n-]2)cc1C ZINC000429020306 499984836 /nfs/dbraw/zinc/98/48/36/499984836.db2.gz LNGKPHIDBCXAQO-UHFFFAOYSA-N -1 3 374.448 3.405 20 0 FGADHM O=C(Nc1ccc(Oc2cccnc2)nc1)c1n[n-]nc1-c1ccccc1 ZINC000576481755 506169467 /nfs/dbraw/zinc/16/94/67/506169467.db2.gz QZXUNKBHGZTZBM-UHFFFAOYSA-N -1 3 358.361 3.306 20 0 FGADHM CCOc1nc2cc(C(=O)N3CCC(OC)(C(F)(F)F)CC3)ccc2[n-]1 ZINC000416269270 500002365 /nfs/dbraw/zinc/00/23/65/500002365.db2.gz OQXRDIQUGXUDKN-UHFFFAOYSA-N -1 3 371.359 3.145 20 0 FGADHM CCOc1nc2ccc(C(=O)N3CCC(OC)(C(F)(F)F)CC3)cc2[n-]1 ZINC000416269270 500002369 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XPZVVMIJEDTMJX-WCQYABFASA-N -1 3 357.859 3.224 20 0 FGADHM COc1cc(CN[C@H](CC(=O)[O-])c2ccc(OC)c(OC)c2)ccc1C ZINC000417551909 500105639 /nfs/dbraw/zinc/10/56/39/500105639.db2.gz BHPCQXWSPWKBHC-MRXNPFEDSA-N -1 3 359.422 3.326 20 0 FGADHM CCOc1ccccc1[C@@H](CC)NC(=O)N=c1cc(OC(F)F)n(C)[n-]1 ZINC000429628454 500114967 /nfs/dbraw/zinc/11/49/67/500114967.db2.gz PPUSOMMCQLSQCU-GFCCVEGCSA-N -1 3 368.384 3.115 20 0 FGADHM Cc1nc(CN2CCN(Cc3ccc([O-])c4nc(C)ccc34)CC2)oc1C ZINC000429702834 500125970 /nfs/dbraw/zinc/12/59/70/500125970.db2.gz YDMSTBBIGHKUQO-UHFFFAOYSA-N -1 3 366.465 3.171 20 0 FGADHM Cc1cc(Br)c(CNCCSCC(=O)[O-])cc1Cl ZINC000417625177 500128309 /nfs/dbraw/zinc/12/83/09/500128309.db2.gz RKOGERMXVNTGGS-UHFFFAOYSA-N -1 3 352.681 3.318 20 0 FGADHM CO[C@H](CNCc1ccc(OCc2c(F)cccc2Cl)cc1)C(=O)[O-] ZINC000417626393 500129139 /nfs/dbraw/zinc/12/91/39/500129139.db2.gz MZGMKLOFTSAJAS-QGZVFWFLSA-N -1 3 367.804 3.247 20 0 FGADHM CC(C)=CCSC[C@@H](NCc1cn(-c2ccccc2)nc1C)C(=O)[O-] ZINC000417629726 500130206 /nfs/dbraw/zinc/13/02/06/500130206.db2.gz SXRAGEQPRIBNOR-GOSISDBHSA-N -1 3 359.495 3.423 20 0 FGADHM CCOC[C@@H](NCc1ccc(Br)cc1C(F)(F)F)C(=O)[O-] ZINC000417636941 500132902 /nfs/dbraw/zinc/13/29/02/500132902.db2.gz BIKZQXNHWQPUHC-LLVKDONJSA-N -1 3 370.165 3.047 20 0 FGADHM O=S(=O)([N-][C@H](CO)c1ccc(F)cc1)c1ccc(Cl)cc1Cl ZINC000429820776 500150612 /nfs/dbraw/zinc/15/06/12/500150612.db2.gz YOHJNRBFVVDYDG-CYBMUJFWSA-N -1 3 364.225 3.144 20 0 FGADHM O=S(=O)([N-]CCOCc1ccccc1)c1ccc(Cl)cc1Cl ZINC000429823652 500151423 /nfs/dbraw/zinc/15/14/23/500151423.db2.gz AKMGPEYUWFEZNH-UHFFFAOYSA-N -1 3 360.262 3.489 20 0 FGADHM Cc1ccn2cc(C[N-]S(=O)(=O)c3ccc(Cl)cc3Cl)nc2c1 ZINC000429831402 500152813 /nfs/dbraw/zinc/15/28/13/500152813.db2.gz RQDZZUCKWUJTPD-UHFFFAOYSA-N -1 3 370.261 3.428 20 0 FGADHM CCCC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Cl)C(=O)OC ZINC000429886939 500162214 /nfs/dbraw/zinc/16/22/14/500162214.db2.gz PBMSCFIKRPFYCD-LLVKDONJSA-N -1 3 354.255 3.004 20 0 FGADHM CC(C)OC(=O)CC[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000429901328 500164319 /nfs/dbraw/zinc/16/43/19/500164319.db2.gz IGJOJIPYGQNZPW-SNVBAGLBSA-N -1 3 368.282 3.392 20 0 FGADHM C[C@]1(C[N-]S(=O)(=O)c2ccc(Cl)cc2Cl)CCO[C@H]1C1CC1 ZINC000429912317 500165936 /nfs/dbraw/zinc/16/59/36/500165936.db2.gz WKZBDCQQZSANBA-LSDHHAIUSA-N -1 3 364.294 3.477 20 0 FGADHM Cc1nc(C)c(CC(=O)N2CCC[C@]2(C)Cc2ccc(F)cc2)c(=O)[n-]1 ZINC000421917925 500175713 /nfs/dbraw/zinc/17/57/13/500175713.db2.gz KGHDKCRIBLLKRF-HXUWFJFHSA-N -1 3 357.429 3.104 20 0 FGADHM COC(=O)[C@H](CNC(=O)C(C)(C)C1CCCC1)Cc1ccc([O-])c(F)c1 ZINC000422041528 500204420 /nfs/dbraw/zinc/20/44/20/500204420.db2.gz ONMZGPCTQSOKMD-AWEZNQCLSA-N -1 3 365.445 3.196 20 0 FGADHM CO[C@@](C)(C(=O)N=c1cc(-c2ccccc2C)[n-][nH]1)c1ccccc1F ZINC000430285690 500221807 /nfs/dbraw/zinc/22/18/07/500221807.db2.gz RFDIAQNGQRFIAC-HXUWFJFHSA-N -1 3 353.397 3.446 20 0 FGADHM CO[C@](C)(C(=O)N=c1cc(-c2ccccc2C)[n-][nH]1)c1ccccc1F ZINC000430285689 500221911 /nfs/dbraw/zinc/22/19/11/500221911.db2.gz RFDIAQNGQRFIAC-FQEVSTJZSA-N -1 3 353.397 3.446 20 0 FGADHM CSc1nnc(NC(=O)c2cc3ccccc3n2CC(F)(F)F)[n-]1 ZINC000426135628 500239790 /nfs/dbraw/zinc/23/97/90/500239790.db2.gz HFDYRDRRHWELBW-UHFFFAOYSA-N -1 3 355.345 3.296 20 0 FGADHM CSc1n[n-]c(NC(=O)c2cc3ccccc3n2CC(F)(F)F)n1 ZINC000426135628 500239794 /nfs/dbraw/zinc/23/97/94/500239794.db2.gz HFDYRDRRHWELBW-UHFFFAOYSA-N -1 3 355.345 3.296 20 0 FGADHM CSc1nc(NC(=O)c2cc3ccccc3n2CC(F)(F)F)n[n-]1 ZINC000426135628 500239796 /nfs/dbraw/zinc/23/97/96/500239796.db2.gz HFDYRDRRHWELBW-UHFFFAOYSA-N -1 3 355.345 3.296 20 0 FGADHM Cc1cc(C(=O)NC[C@@]2(Cc3ccc(F)cc3)CCC[C@H]2O)ccc1[O-] ZINC000430469545 500244241 /nfs/dbraw/zinc/24/42/41/500244241.db2.gz PTQSKIWDQBKWCE-CTNGQTDRSA-N -1 3 357.425 3.343 20 0 FGADHM O=C(Nc1ccc2[nH]c([C@H]3CCCO3)nc2c1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000573384019 506184438 /nfs/dbraw/zinc/18/44/38/506184438.db2.gz NMSDXVHBXUGNCC-OAHLLOKOSA-N -1 3 365.393 3.040 20 0 FGADHM O=C(Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000573384019 506184441 /nfs/dbraw/zinc/18/44/41/506184441.db2.gz NMSDXVHBXUGNCC-OAHLLOKOSA-N -1 3 365.393 3.040 20 0 FGADHM CC(C)c1ccoc1-c1noc(CS(=O)(=O)[N-]C2CCC(C)CC2)n1 ZINC000426200276 500246320 /nfs/dbraw/zinc/24/63/20/500246320.db2.gz HCQQWEQGQRMLQV-UHFFFAOYSA-N -1 3 367.471 3.451 20 0 FGADHM O=c1nc(CN2CCC[C@H]2CCO)[n-]c2sc(-c3ccccc3)cc21 ZINC000426270475 500255463 /nfs/dbraw/zinc/25/54/63/500255463.db2.gz XLECLOPDDJIGHD-AWEZNQCLSA-N -1 3 355.463 3.411 20 0 FGADHM CN(CCCC(=O)[O-])CC(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1 ZINC000430658430 500266715 /nfs/dbraw/zinc/26/67/15/500266715.db2.gz YJBMSEPAWGBRPT-FQEVSTJZSA-N -1 3 374.868 3.342 20 0 FGADHM C[C@H](CCCNCc1cc(Cl)ccc1OC[C@H]1CCCO1)C(=O)[O-] ZINC000426645522 500299917 /nfs/dbraw/zinc/29/99/17/500299917.db2.gz DUUAJDIRCVBLED-CZUORRHYSA-N -1 3 355.862 3.488 20 0 FGADHM C[C@H](CCc1ccco1)NC(=O)Cc1ccc(Br)cc1[O-] ZINC000430895581 500303077 /nfs/dbraw/zinc/30/30/77/500303077.db2.gz VAIPIALDJWWCPA-LLVKDONJSA-N -1 3 352.228 3.428 20 0 FGADHM CCN(Cc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccccc2)cc1)C1CC1 ZINC000426685535 500306337 /nfs/dbraw/zinc/30/63/37/500306337.db2.gz IFLVKEIBMQFQPK-IBGZPJMESA-N -1 3 352.434 3.227 20 0 FGADHM COc1cccc(CNC[C@@H](Cc2ccc(Cl)cc2)C(=O)[O-])c1OC ZINC000426703792 500308831 /nfs/dbraw/zinc/30/88/31/500308831.db2.gz NPRSMAWWGKMXRJ-OAHLLOKOSA-N -1 3 363.841 3.390 20 0 FGADHM O=C([O-])[C@@H](Cc1ccc(F)cc1)NCc1ccccc1Br ZINC000426716258 500310368 /nfs/dbraw/zinc/31/03/68/500310368.db2.gz LHUZIXXOJCRMCR-OAHLLOKOSA-N -1 3 352.203 3.374 20 0 FGADHM COc1ccccc1-c1ccc(CN[C@H](Cn2cc(C)cn2)C(=O)[O-])cc1 ZINC000426722343 500310855 /nfs/dbraw/zinc/31/08/55/500310855.db2.gz HIOPAJPISQNFER-LJQANCHMSA-N -1 3 365.433 3.110 20 0 FGADHM O=C([O-])[C@@H](Cc1ccc2c(c1)OCCCO2)NCc1ccsc1Cl ZINC000426729260 500312156 /nfs/dbraw/zinc/31/21/56/500312156.db2.gz BGLWDSVHHVOCIW-CYBMUJFWSA-N -1 3 367.854 3.348 20 0 FGADHM O=C([O-])[C@@H](CN1CCCc2ccccc21)NCc1cccc(Cl)c1F ZINC000426741371 500314100 /nfs/dbraw/zinc/31/41/00/500314100.db2.gz LGEGMDACPXZUTD-MRXNPFEDSA-N -1 3 362.832 3.475 20 0 FGADHM COCCOc1cccc(CN[C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)c1 ZINC000426753215 500315950 /nfs/dbraw/zinc/31/59/50/500315950.db2.gz COCSOWYKVBXXDX-QGZVFWFLSA-N -1 3 367.804 3.420 20 0 FGADHM O=C([O-])[C@@H](CN1CCCc2ccccc21)NCc1cc(F)c(F)c(F)c1 ZINC000426760311 500317203 /nfs/dbraw/zinc/31/72/03/500317203.db2.gz ZNZVRAGREOSBLF-MRXNPFEDSA-N -1 3 364.367 3.100 20 0 FGADHM CCCSC[C@@H](NCc1cc(-c2ccncc2)ccc1OC)C(=O)[O-] ZINC000426779135 500319631 /nfs/dbraw/zinc/31/96/31/500319631.db2.gz DSQXWKISZVAXTI-QGZVFWFLSA-N -1 3 360.479 3.443 20 0 FGADHM COc1cccc([C@H](CC(=O)[O-])NCc2ccc(-n3cccn3)cc2)c1 ZINC000426800635 500322735 /nfs/dbraw/zinc/32/27/35/500322735.db2.gz OKNDZQZSWQDQAK-IBGZPJMESA-N -1 3 351.406 3.187 20 0 FGADHM Cc1nc(COc2ccc(CN[C@H](C(=O)[O-])c3ccc(F)cc3)cc2)no1 ZINC000426810043 500323832 /nfs/dbraw/zinc/32/38/32/500323832.db2.gz XRSHCHUZUNAQAG-SFHVURJKSA-N -1 3 371.368 3.012 20 0 FGADHM COc1ccc(CN[C@H](C(=O)[O-])c2cccc(F)c2)cc1OC(F)F ZINC000426828511 500326256 /nfs/dbraw/zinc/32/62/56/500326256.db2.gz WDBYYTHTLRPZJV-HNNXBMFYSA-N -1 3 355.312 3.351 20 0 FGADHM C[C@@H](CC(=O)c1ccccc1)[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000431074648 500332107 /nfs/dbraw/zinc/33/21/07/500332107.db2.gz WSSVXLGAGLOQSL-NSHDSACASA-N -1 3 355.818 3.419 20 0 FGADHM C[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@@H]2C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)o1 ZINC000427083737 500351726 /nfs/dbraw/zinc/35/17/26/500351726.db2.gz CKFKDDPNDKVSDQ-MEYUZBJRSA-N -1 3 363.421 3.249 20 0 FGADHM C[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@@H]2C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)o1 ZINC000427083737 500351728 /nfs/dbraw/zinc/35/17/28/500351728.db2.gz CKFKDDPNDKVSDQ-MEYUZBJRSA-N -1 3 363.421 3.249 20 0 FGADHM O=C(NC[C@H](Cc1ccccc1)C(F)(F)F)c1cc(F)cc2nn[n-]c21 ZINC000427094994 500352355 /nfs/dbraw/zinc/35/23/55/500352355.db2.gz WJJQHSFEMIJGQY-NSHDSACASA-N -1 3 366.318 3.248 20 0 FGADHM O=C(NC[C@H](Cc1ccccc1)C(F)(F)F)c1cc(F)cc2[n-]nnc21 ZINC000427094994 500352357 /nfs/dbraw/zinc/35/23/57/500352357.db2.gz WJJQHSFEMIJGQY-NSHDSACASA-N -1 3 366.318 3.248 20 0 FGADHM O=C(NC[C@H](Cc1ccccc1)C(F)(F)F)c1cc(F)cc2n[n-]nc21 ZINC000427094994 500352360 /nfs/dbraw/zinc/35/23/60/500352360.db2.gz WJJQHSFEMIJGQY-NSHDSACASA-N -1 3 366.318 3.248 20 0 FGADHM O=C(CCCCC(=O)c1ccc(F)cc1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000427103497 500353774 /nfs/dbraw/zinc/35/37/74/500353774.db2.gz YDKSFJFYDQYTMY-UHFFFAOYSA-N -1 3 367.384 3.388 20 0 FGADHM O=C(CCCCC(=O)c1ccc(F)cc1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000427103497 500353777 /nfs/dbraw/zinc/35/37/77/500353777.db2.gz YDKSFJFYDQYTMY-UHFFFAOYSA-N -1 3 367.384 3.388 20 0 FGADHM COC(=O)C1(CS(=O)(=O)[N-]c2cccc(SC)c2)CCCCC1 ZINC000427123781 500356381 /nfs/dbraw/zinc/35/63/81/500356381.db2.gz LAIVFGLQYXVSEH-UHFFFAOYSA-N -1 3 357.497 3.274 20 0 FGADHM Cc1cccc([C@H](NC(=O)CNC(=O)c2cccc([O-])c2)C(C)(C)C)c1 ZINC000427146034 500359263 /nfs/dbraw/zinc/35/92/63/500359263.db2.gz CRCFJBLRDNRJLF-IBGZPJMESA-N -1 3 354.450 3.334 20 0 FGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CC(C)(C)c3ccccc32)s1 ZINC000431296582 500360124 /nfs/dbraw/zinc/36/01/24/500360124.db2.gz NJFXISKNLOUPKX-CYBMUJFWSA-N -1 3 365.476 3.236 20 0 FGADHM COC(=O)c1ccc(C(=O)Nc2nc(-c3ccc(OC)cc3)cs2)[n-]1 ZINC000431355766 500367429 /nfs/dbraw/zinc/36/74/29/500367429.db2.gz BKTXDLAUDPJOHN-UHFFFAOYSA-N -1 3 357.391 3.186 20 0 FGADHM C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)Nc1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000431368318 500368849 /nfs/dbraw/zinc/36/88/49/500368849.db2.gz JNADCCRWTSBOQO-GOPGUHFVSA-N -1 3 362.426 3.185 20 0 FGADHM CC[C@@H](SCc1cc(=O)[n-]c(C2CC2)n1)C(=O)NCc1ccccc1 ZINC000419584108 500381493 /nfs/dbraw/zinc/38/14/93/500381493.db2.gz IERUTVOZQKMOOV-MRXNPFEDSA-N -1 3 357.479 3.388 20 0 FGADHM C[C@@H](SCc1cc(=O)[n-]c(C2CC2)n1)C(=O)N(C)Cc1ccccc1 ZINC000419586071 500381557 /nfs/dbraw/zinc/38/15/57/500381557.db2.gz LIERBPXPCMTZCO-CYBMUJFWSA-N -1 3 357.479 3.340 20 0 FGADHM O=C(CSCc1cc(=O)[n-]c(C2CC2)n1)NCc1ccc(Cl)cc1 ZINC000419600778 500383354 /nfs/dbraw/zinc/38/33/54/500383354.db2.gz IBZMHWJIGQSKHM-UHFFFAOYSA-N -1 3 363.870 3.263 20 0 FGADHM COc1ccccc1CNC(=O)[C@H](C)SCc1cc(=O)[n-]c(C2CC2)n1 ZINC000419606362 500383933 /nfs/dbraw/zinc/38/39/33/500383933.db2.gz RULIQWTYPZFZDB-LBPRGKRZSA-N -1 3 373.478 3.006 20 0 FGADHM COCCCOc1cccc(NC(=O)c2c[n-]nc2-c2ccncc2)c1 ZINC000431582385 500394501 /nfs/dbraw/zinc/39/45/01/500394501.db2.gz LBODPZKYNQRZKU-UHFFFAOYSA-N -1 3 352.394 3.139 20 0 FGADHM COCCCOc1cccc(NC(=O)c2cn[n-]c2-c2ccncc2)c1 ZINC000431582385 500394502 /nfs/dbraw/zinc/39/45/02/500394502.db2.gz LBODPZKYNQRZKU-UHFFFAOYSA-N -1 3 352.394 3.139 20 0 FGADHM COC(=O)c1ccsc1[N-]C(=O)C(=O)N(C)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000419795174 500400139 /nfs/dbraw/zinc/40/01/39/500400139.db2.gz MYKWEQUKFCKFTJ-STQMWFEESA-N -1 3 366.483 3.146 20 0 FGADHM Cc1cc(NCc2cccc([O-])c2Br)nn1CC(F)(F)F ZINC000419830766 500403873 /nfs/dbraw/zinc/40/38/73/500403873.db2.gz KOWSSMJWVXXDCX-UHFFFAOYSA-N -1 3 364.165 3.256 20 0 FGADHM COC(=O)c1cc(S(=O)(=O)[N-]C(C)(C)c2cccc(Cl)c2)oc1C ZINC000431824178 500430092 /nfs/dbraw/zinc/43/00/92/500430092.db2.gz OLELYGIEPONQFK-UHFFFAOYSA-N -1 3 371.842 3.242 20 0 FGADHM CCNC(=O)N1CCc2ccc(NC(=O)c3cc([O-])ccc3Cl)cc21 ZINC000431844900 500433096 /nfs/dbraw/zinc/43/30/96/500433096.db2.gz NGAXFVCSJZBXJY-UHFFFAOYSA-N -1 3 359.813 3.390 20 0 FGADHM O=C(Nc1ccccc1)[C@@H]1CSCN1C(=O)c1cc([O-])ccc1Cl ZINC000431848452 500433764 /nfs/dbraw/zinc/43/37/64/500433764.db2.gz OJNORJGXKDAGTJ-HNNXBMFYSA-N -1 3 362.838 3.199 20 0 FGADHM O=S(=O)(CCOCC1CC1)[N-]c1ccc(COc2ccccc2)cc1 ZINC000424061374 500445639 /nfs/dbraw/zinc/44/56/39/500445639.db2.gz IRKGFFCDFNETBU-UHFFFAOYSA-N -1 3 361.463 3.434 20 0 FGADHM O=S(=O)(CCOCC1CC1)[N-]c1ccc(-c2cnc(C3CC3)o2)cc1 ZINC000424061945 500445731 /nfs/dbraw/zinc/44/57/31/500445731.db2.gz FRYQSHFVLPVDSD-UHFFFAOYSA-N -1 3 362.451 3.387 20 0 FGADHM Cc1c(NC(=O)Cc2ccc([O-])cc2Cl)cccc1N1CCNC1=O ZINC000427972923 500452906 /nfs/dbraw/zinc/45/29/06/500452906.db2.gz CAGVPGDSTXGNQN-UHFFFAOYSA-N -1 3 359.813 3.065 20 0 FGADHM O=S(=O)([N-]Cc1ccc2c(c1)CCCN2)c1cc(F)cc(Cl)c1 ZINC000420442259 500458258 /nfs/dbraw/zinc/45/82/58/500458258.db2.gz PRVRKLIZTUFIBB-UHFFFAOYSA-N -1 3 354.834 3.316 20 0 FGADHM O=C(N[C@@H]1CCC[C@H](C2CC2)C1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000570565367 506196721 /nfs/dbraw/zinc/19/67/21/506196721.db2.gz HENDFBZYNFXNJA-JZXOWHBKSA-N -1 3 356.466 3.082 20 0 FGADHM O=C1CCCc2cc(S(=O)(=O)[N-]c3ccc(-n4ccnc4)cc3)ccc21 ZINC000432219480 500485290 /nfs/dbraw/zinc/48/52/90/500485290.db2.gz FJVGUUXHMJRJEF-UHFFFAOYSA-N -1 3 367.430 3.192 20 0 FGADHM Cc1ccsc1CC[N-]S(=O)(=O)c1cc(F)ccc1OC(F)F ZINC000420689302 500488160 /nfs/dbraw/zinc/48/81/60/500488160.db2.gz NQIYWIQXOGXTBI-UHFFFAOYSA-N -1 3 365.398 3.318 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)C[C@@H](Cc1ccccc1)OC)c1nc(C)cs1 ZINC000420684534 500488195 /nfs/dbraw/zinc/48/81/95/500488195.db2.gz WWRWRWYEFRFGAY-CVEARBPZSA-N -1 3 368.524 3.080 20 0 FGADHM Cc1noc(C(C)(C)[N-]S(=O)(=O)c2c(C)sc3c2cccc3C)n1 ZINC000420699676 500488958 /nfs/dbraw/zinc/48/89/58/500488958.db2.gz CRYXABNUFDSNAU-UHFFFAOYSA-N -1 3 365.480 3.423 20 0 FGADHM COCC(C)(C)CCC[N-]S(=O)(=O)c1cc(F)ccc1OC(F)F ZINC000420725321 500491892 /nfs/dbraw/zinc/49/18/92/500491892.db2.gz MHWYKOMFXKAOBO-UHFFFAOYSA-N -1 3 369.405 3.158 20 0 FGADHM CCCc1nc(C)c(CN2CCC(C(=O)Nc3ccccc3[O-])CC2)o1 ZINC000428303712 500493543 /nfs/dbraw/zinc/49/35/43/500493543.db2.gz QYLDZLXOQGFQDG-UHFFFAOYSA-N -1 3 357.454 3.492 20 0 FGADHM O=S(=O)([N-]CC[C@@H](c1ccccc1)C(F)(F)F)c1cncc(F)c1 ZINC000432300029 500495260 /nfs/dbraw/zinc/49/52/60/500495260.db2.gz GWMCMAWNWLXOIN-AWEZNQCLSA-N -1 3 362.348 3.235 20 0 FGADHM COc1cncc(S(=O)(=O)[N-]CC[C@@H](c2ccccc2)C(F)(F)F)c1 ZINC000432303957 500496230 /nfs/dbraw/zinc/49/62/30/500496230.db2.gz TUGYKKJXSIMOHZ-HNNXBMFYSA-N -1 3 374.384 3.105 20 0 FGADHM COc1ccc(CN[C@@H]2Cc3cccc(O)c3C2)c(Br)c1[O-] ZINC000428558105 500526977 /nfs/dbraw/zinc/52/69/77/500526977.db2.gz LOXUHFFWDWCYBW-GFCCVEGCSA-N -1 3 364.239 3.126 20 0 FGADHM COc1cccc([S@](=O)CC(=O)Nc2ccc(C(C)(C)C)cc2[O-])c1 ZINC000424818288 500568752 /nfs/dbraw/zinc/56/87/52/500568752.db2.gz GTQPSTSDRGTVIH-RUZDIDTESA-N -1 3 361.463 3.445 20 0 FGADHM O=c1cc(C=Cc2ccc([O-])c(Br)c2)nc(-c2ccncc2)[nH]1 ZINC000436935164 500574055 /nfs/dbraw/zinc/57/40/55/500574055.db2.gz VPTZEYNVIRKQNH-IWQZZHSRSA-N -1 3 370.206 3.470 20 0 FGADHM Cc1noc([C@@H](C)[N-]S(=O)(=O)c2ccc(Cl)c3ccccc32)n1 ZINC000447199719 500575468 /nfs/dbraw/zinc/57/54/68/500575468.db2.gz LWXGXHRIWCEXBE-SECBINFHSA-N -1 3 351.815 3.224 20 0 FGADHM O=C(C(=O)N1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1)c1ccc([O-])cc1 ZINC000436946927 500576517 /nfs/dbraw/zinc/57/65/17/500576517.db2.gz YGXXGUXLCKFHDW-INIZCTEOSA-N -1 3 369.808 3.468 20 0 FGADHM CCCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)c2ccc3c(c2[O-])CCCC3)C1 ZINC000436952579 500577509 /nfs/dbraw/zinc/57/75/09/500577509.db2.gz XCOSGZFCNOLTKJ-RDJZCZTQSA-N -1 3 372.509 3.428 20 0 FGADHM 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500815667 /nfs/dbraw/zinc/81/56/67/500815667.db2.gz RWFPNRBWAQEKIW-UHFFFAOYSA-N -1 3 365.451 3.350 20 0 FGADHM CCN=c1[n-]c(C(=O)N2CCCCC[C@H]2c2noc(C(C)C)n2)cs1 ZINC000438753409 500816953 /nfs/dbraw/zinc/81/69/53/500816953.db2.gz HYGNANVBLYHEBX-ZDUSSCGKSA-N -1 3 363.487 3.261 20 0 FGADHM Cc1nc2ccc(NC(=O)c3c[n-]nc3-c3ccc(Cl)cc3)cn2n1 ZINC000438759590 500817389 /nfs/dbraw/zinc/81/73/89/500817389.db2.gz SHFDGKXQVRJYDN-UHFFFAOYSA-N -1 3 352.785 3.334 20 0 FGADHM C[C@H]1CCCCN1Cc1ccc(CNC(=O)C(=O)c2ccc([O-])cc2)cc1 ZINC000438780014 500819267 /nfs/dbraw/zinc/81/92/67/500819267.db2.gz QAQMAHLVHDWOBY-INIZCTEOSA-N -1 3 366.461 3.266 20 0 FGADHM CC[C@@H](Cc1ccc(C)cc1)N(C)CC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000444242387 500822537 /nfs/dbraw/zinc/82/25/37/500822537.db2.gz OSSYNJWQEFQHPX-KRWDZBQOSA-N -1 3 371.506 3.270 20 0 FGADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000434318231 500826052 /nfs/dbraw/zinc/82/60/52/500826052.db2.gz SMKCZUODTBVSAV-MLGOLLRUSA-N -1 3 363.351 3.016 20 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501038265 /nfs/dbraw/zinc/03/82/65/501038265.db2.gz IIWGQISDXXZJTI-UHFFFAOYSA-N -1 3 357.797 3.263 20 0 FGADHM Cc1ccc(NC(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)s1 ZINC000440775020 501046958 /nfs/dbraw/zinc/04/69/58/501046958.db2.gz LSSYLTSOQCCLAU-UHFFFAOYSA-N -1 3 359.451 3.188 20 0 FGADHM CC(C)Oc1c(F)cc(-n2c([O-])c(CC(F)(F)F)[nH]c2=O)cc1F ZINC000445933372 501052898 /nfs/dbraw/zinc/05/28/98/501052898.db2.gz VIACHYPBOKLRGG-JTQLQIEISA-N -1 3 352.259 3.129 20 0 FGADHM O=c1[nH]c(CC(F)(F)F)c([O-])n1-c1ccc(Oc2ccccn2)cc1 ZINC000445982625 501058701 /nfs/dbraw/zinc/05/87/01/501058701.db2.gz VUCRHJDKHDAFFS-GFCCVEGCSA-N -1 3 351.284 3.251 20 0 FGADHM Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)[N-]c1nncn1C ZINC000436096471 501070092 /nfs/dbraw/zinc/07/00/92/501070092.db2.gz FZJYBHMDMBJBKD-UHFFFAOYSA-N -1 3 352.181 3.338 20 0 FGADHM CCCCn1c(=O)[n-]nc1S[C@@H](Cc1ccc(F)c(F)c1F)C(C)=O ZINC000436131721 501076112 /nfs/dbraw/zinc/07/61/12/501076112.db2.gz PXLMMTFFZGMWOI-LBPRGKRZSA-N -1 3 373.400 3.494 20 0 FGADHM 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CC(=O)N[C@@H](Cc1nc(-c2ccc([O-])cc2)no1)c1ccc(F)cc1F ZINC000436529314 501149409 /nfs/dbraw/zinc/14/94/09/501149409.db2.gz BGYQIQDAGAGFCU-INIZCTEOSA-N -1 3 359.332 3.140 20 0 FGADHM CN(C)CCOc1ccc(NC(=O)c2ccc(F)cc2[O-])cc1Cl ZINC000436544939 501152701 /nfs/dbraw/zinc/15/27/01/501152701.db2.gz FAFUMULBFVPSDJ-UHFFFAOYSA-N -1 3 352.793 3.377 20 0 FGADHM Cc1cccc(C(=O)NCc2ccc(NC(=O)c3ccncc3)cc2)c1[O-] ZINC000436546795 501153421 /nfs/dbraw/zinc/15/34/21/501153421.db2.gz VYGDZQIVGSWSIB-UHFFFAOYSA-N -1 3 361.401 3.278 20 0 FGADHM CCCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)c2cc3c(cc2[O-])CCCC3)C1 ZINC000436547815 501153434 /nfs/dbraw/zinc/15/34/34/501153434.db2.gz BAKXFLUMSVYQOE-QAPCUYQASA-N -1 3 372.509 3.428 20 0 FGADHM COc1ccccc1-c1cc(=NC(=O)c2cn(-c3ccccc3)nc2C)[nH][n-]1 ZINC000588216586 506236989 /nfs/dbraw/zinc/23/69/89/506236989.db2.gz UPMBIWKFKNXWLZ-UHFFFAOYSA-N -1 3 373.416 3.254 20 0 FGADHM CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccc(O)cc1[O-] ZINC000436552148 501155158 /nfs/dbraw/zinc/15/51/58/501155158.db2.gz BUICRYZONQOJEF-UHFFFAOYSA-N -1 3 369.204 3.115 20 0 FGADHM CC[C@H](C)NC(=O)CCNC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436554732 501155950 /nfs/dbraw/zinc/15/59/50/501155950.db2.gz ILDQRAZXFNDOPL-AWEZNQCLSA-N -1 3 356.422 3.219 20 0 FGADHM CCN(C(=O)c1ccc(C)c(C)c1[O-])[C@H]1CCN(c2ccccc2)C1=O ZINC000436557798 501156372 /nfs/dbraw/zinc/15/63/72/501156372.db2.gz VPSGBXPLYSPQAF-SFHVURJKSA-N -1 3 352.434 3.277 20 0 FGADHM Cc1ccc(C(=O)N2CSC[C@H]2C(=O)N[C@H](C)CCC(C)C)c([O-])c1 ZINC000436564676 501157864 /nfs/dbraw/zinc/15/78/64/501157864.db2.gz RAMBZKMYTQZUCY-ZBFHGGJFSA-N -1 3 364.511 3.157 20 0 FGADHM Cc1ccc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccccc2F)c([O-])c1C ZINC000436568561 501158589 /nfs/dbraw/zinc/15/85/89/501158589.db2.gz UPOPDJADHPYMSN-MRXNPFEDSA-N -1 3 374.437 3.302 20 0 FGADHM CNC(=O)c1ccc([N-]S(=O)(=O)Cc2ccccc2Cl)c(Cl)c1 ZINC000446758203 501162323 /nfs/dbraw/zinc/16/23/23/501162323.db2.gz YWKQYJUWTFBACK-UHFFFAOYSA-N -1 3 373.261 3.295 20 0 FGADHM CO[C@H](C)c1nc(CNC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)cs1 ZINC000436587888 501164007 /nfs/dbraw/zinc/16/40/07/501164007.db2.gz XMEDJMVNHPMHEQ-SNVBAGLBSA-N -1 3 362.451 3.200 20 0 FGADHM CS[C@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C[C@@H]1N1CCCC1 ZINC000436610080 501169371 /nfs/dbraw/zinc/16/93/71/501169371.db2.gz JELGORVRKOJHCM-ZFWWWQNUSA-N -1 3 374.428 3.063 20 0 FGADHM CSc1cccc(NC(=O)CCNC(=O)c2ccc(C)cc2[O-])c1C ZINC000436624746 501172068 /nfs/dbraw/zinc/17/20/68/501172068.db2.gz ACEUEZMKEUOMGL-UHFFFAOYSA-N -1 3 358.463 3.490 20 0 FGADHM Cc1ccc([C@@H](C)NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])cc1F ZINC000436626188 501172996 /nfs/dbraw/zinc/17/29/96/501172996.db2.gz OIYPFJKLASEHLK-RDTXWAMCSA-N -1 3 370.424 3.322 20 0 FGADHM CCn1c2ccccc2nc1[C@@H](C)NC(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000436632006 501173450 /nfs/dbraw/zinc/17/34/50/501173450.db2.gz VKNOFZMBIWHLPW-GFCCVEGCSA-N -1 3 351.406 3.455 20 0 FGADHM CCOc1nc2cc(C(=O)N3CCC[C@H](CC(=O)OC(C)C)C3)ccc2[n-]1 ZINC000450651592 501177145 /nfs/dbraw/zinc/17/71/45/501177145.db2.gz FBZQUSZSDDXPAU-CQSZACIVSA-N -1 3 373.453 3.156 20 0 FGADHM CCOc1nc2ccc(C(=O)N3CCC[C@H](CC(=O)OC(C)C)C3)cc2[n-]1 ZINC000450651592 501177148 /nfs/dbraw/zinc/17/71/48/501177148.db2.gz FBZQUSZSDDXPAU-CQSZACIVSA-N -1 3 373.453 3.156 20 0 FGADHM CC[C@@H](NC(=O)c1ccccc1[O-])[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000436646154 501178270 /nfs/dbraw/zinc/17/82/70/501178270.db2.gz GEALPQIXGPHGAF-IEBWSBKVSA-N -1 3 350.422 3.090 20 0 FGADHM CCC[C@@H](NC(=O)c1cc(C)ccc1[O-])C(=O)N1CCc2sccc2C1 ZINC000436657107 501180584 /nfs/dbraw/zinc/18/05/84/501180584.db2.gz PMAZNABNYAPBHC-MRXNPFEDSA-N -1 3 372.490 3.246 20 0 FGADHM O=C(NCc1ccc(Br)cc1Cl)c1ccc(O)cc1[O-] ZINC000436662409 501181623 /nfs/dbraw/zinc/18/16/23/501181623.db2.gz CBZRBVCPCGYLNA-UHFFFAOYSA-N -1 3 356.603 3.444 20 0 FGADHM C[C@H]1CCCC[C@@H]1CCNC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436670454 501183880 /nfs/dbraw/zinc/18/38/80/501183880.db2.gz FZHMYTZZQPTRPZ-DLBZAZTESA-N -1 3 373.497 3.076 20 0 FGADHM CC[C@](C)(O)CN(Cc1ccccc1)C(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000436670989 501184229 /nfs/dbraw/zinc/18/42/29/501184229.db2.gz IKYAFCKPTXRFMZ-NRFANRHFSA-N -1 3 355.434 3.398 20 0 FGADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCO[C@@H](C2CC2)C1 ZINC000436675206 501185144 /nfs/dbraw/zinc/18/51/44/501185144.db2.gz KCERDDDJHCHWQP-OAQYLSRUSA-N -1 3 351.446 3.428 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N2CCc3c(C)cc(C)cc3C2)c([O-])c1 ZINC000436677132 501186214 /nfs/dbraw/zinc/18/62/14/501186214.db2.gz BIGQLGZLRPAMGM-UHFFFAOYSA-N -1 3 366.461 3.022 20 0 FGADHM Cn1cnnc1-c1cccc(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)c1 ZINC000436682615 501186708 /nfs/dbraw/zinc/18/67/08/501186708.db2.gz QYOPQYDRJCSYRS-UHFFFAOYSA-N -1 3 364.405 3.154 20 0 FGADHM Cc1ccccc1CCC(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436680941 501186771 /nfs/dbraw/zinc/18/67/71/501186771.db2.gz LZAFSPVXBGHBND-UHFFFAOYSA-N -1 3 366.461 3.054 20 0 FGADHM CC(C)c1ccc(S(=O)(=O)[N-][C@H](c2cnn(C)c2)C(F)(F)F)cc1 ZINC000446961505 501186975 /nfs/dbraw/zinc/18/69/75/501186975.db2.gz ZHFCGCHGKLXAAM-CQSZACIVSA-N -1 3 361.389 3.125 20 0 FGADHM COc1cccc(C(=O)Nc2cccc([C@@H](C)N3CCOCC3)c2)c1[O-] ZINC000436684756 501187670 /nfs/dbraw/zinc/18/76/70/501187670.db2.gz FZRUPSWTCYYRDI-CQSZACIVSA-N -1 3 356.422 3.046 20 0 FGADHM Cc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C)c(C(N)=O)c2)c1C ZINC000446966990 501188187 /nfs/dbraw/zinc/18/81/87/501188187.db2.gz SPMUQALTLHWYCH-UHFFFAOYSA-N -1 3 352.843 3.165 20 0 FGADHM C[C@@H](NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2)c1ccc([S@@](C)=O)cc1 ZINC000436687987 501188674 /nfs/dbraw/zinc/18/86/74/501188674.db2.gz SGNRPJOFTGBHMH-MZHQLVBMSA-N -1 3 373.474 3.334 20 0 FGADHM CC(C)c1ccc(C(=O)NCc2cc3ccccc3n(C)c2=O)c([O-])c1 ZINC000436694376 501189435 /nfs/dbraw/zinc/18/94/35/501189435.db2.gz CATCSSHBIOCYBO-UHFFFAOYSA-N -1 3 350.418 3.298 20 0 FGADHM O=C(N[C@@H](CO)CC(F)(F)F)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436694254 501190128 /nfs/dbraw/zinc/19/01/28/501190128.db2.gz AAQUHBKHXGOTHQ-LLVKDONJSA-N -1 3 355.312 3.228 20 0 FGADHM CCOC(=O)CN(CCc1ccccc1)C(=O)c1ccc([O-])c(CC)c1 ZINC000436697412 501190827 /nfs/dbraw/zinc/19/08/27/501190827.db2.gz MRDFAPHAVCTTFS-UHFFFAOYSA-N -1 3 355.434 3.203 20 0 FGADHM O=C(NCc1ccccc1N1CCOCC1)c1cc2c(cc1[O-])CCCC2 ZINC000436698392 501190888 /nfs/dbraw/zinc/19/08/88/501190888.db2.gz NQWRBEKRZWXQNC-UHFFFAOYSA-N -1 3 366.461 3.038 20 0 FGADHM COC(=O)CCCOc1ccc(CNC(=O)c2ccc(C)c(C)c2[O-])cc1 ZINC000436705611 501192653 /nfs/dbraw/zinc/19/26/53/501192653.db2.gz PUDJJLWCRGJAAY-UHFFFAOYSA-N -1 3 371.433 3.271 20 0 FGADHM COC[C@@H](CN=c1[n-]c(C(=O)OC)c(C)s1)c1ccc(Cl)cc1 ZINC000450720324 501193477 /nfs/dbraw/zinc/19/34/77/501193477.db2.gz SSPWNMUWYILGAO-GFCCVEGCSA-N -1 3 354.859 3.156 20 0 FGADHM Cc1ccc(C(=O)N2CCOc3ccc(Br)cc3C2)c([O-])c1 ZINC000436712664 501194678 /nfs/dbraw/zinc/19/46/78/501194678.db2.gz BEJQUDXUUBTIAY-UHFFFAOYSA-N -1 3 362.223 3.498 20 0 FGADHM COc1cc(C(=O)N[C@@H]2CC[C@@H](c3ccccc3)C[C@@H]2OC)ccc1[O-] ZINC000436713205 501194825 /nfs/dbraw/zinc/19/48/25/501194825.db2.gz IOKHLZYHMKUUJO-SUMDDJOVSA-N -1 3 355.434 3.482 20 0 FGADHM O=C(N[C@H]1CC[C@H](CO)CC1)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436712282 501194870 /nfs/dbraw/zinc/19/48/70/501194870.db2.gz FOPMQCWAMWDKEE-WGSAOQKQSA-N -1 3 353.462 3.458 20 0 FGADHM CC(C)(C)Oc1ccc(NC(=O)NCCNC(=O)c2ccc([O-])cc2)cc1 ZINC000436722985 501197158 /nfs/dbraw/zinc/19/71/58/501197158.db2.gz KNKODJIVXIZUDX-UHFFFAOYSA-N -1 3 371.437 3.121 20 0 FGADHM COc1cccc(C(=O)NCc2nc(-c3ccc(Cl)cc3)no2)c1[O-] ZINC000436734312 501199717 /nfs/dbraw/zinc/19/97/17/501199717.db2.gz BGMCTVMTJAPOFY-UHFFFAOYSA-N -1 3 359.769 3.034 20 0 FGADHM COc1cccc(C(=O)N2CCc3c(ncn3-c3ccc(C)cc3)C2)c1[O-] ZINC000436736642 501200919 /nfs/dbraw/zinc/20/09/19/501200919.db2.gz JLMWQIPSZDIUEZ-UHFFFAOYSA-N -1 3 363.417 3.093 20 0 FGADHM Cc1cc(NCc2cc([O-])ccc2Br)cc(OCCO)c1 ZINC000447095635 501204113 /nfs/dbraw/zinc/20/41/13/501204113.db2.gz YUHWFNWTGSARIL-UHFFFAOYSA-N -1 3 352.228 3.446 20 0 FGADHM CCN1CCc2nc(NC(=O)c3ccc4c(c3[O-])OC(C)(C)C4)sc2C1 ZINC000436750850 501204148 /nfs/dbraw/zinc/20/41/48/501204148.db2.gz HTJNVODSLMKRNP-UHFFFAOYSA-N -1 3 373.478 3.193 20 0 FGADHM O=C(NCCc1nc2ccc(F)cc2[nH]1)c1ccc(C(F)(F)F)cc1[O-] ZINC000436751731 501204406 /nfs/dbraw/zinc/20/44/06/501204406.db2.gz NMBFXIJFYWNBNY-UHFFFAOYSA-N -1 3 367.302 3.399 20 0 FGADHM Cc1ccc(C(=O)N[C@@H](c2nccn2C)c2ccccc2F)c([O-])c1C ZINC000436755055 501205302 /nfs/dbraw/zinc/20/53/02/501205302.db2.gz LETXANRZIITPCG-QGZVFWFLSA-N -1 3 353.397 3.401 20 0 FGADHM COc1ccc(C(=O)N(Cc2cc(OC)ccc2OC)C2CC2)c([O-])c1 ZINC000436763620 501207067 /nfs/dbraw/zinc/20/70/67/501207067.db2.gz YJZYSARCIGRONL-UHFFFAOYSA-N -1 3 357.406 3.223 20 0 FGADHM Cc1cccc(S(=O)(=O)[N-]c2ccc(O[C@@H]3CCCC[C@H]3O)cc2)c1 ZINC000442210878 501208433 /nfs/dbraw/zinc/20/84/33/501208433.db2.gz BRGFVXCBOBQAKS-RTBURBONSA-N -1 3 361.463 3.478 20 0 FGADHM CN(C(=O)CSCc1nc(-c2ccc([O-])cc2)no1)C1CCCCC1 ZINC000436770028 501208762 /nfs/dbraw/zinc/20/87/62/501208762.db2.gz LACDNADOEUHPCL-UHFFFAOYSA-N -1 3 361.467 3.467 20 0 FGADHM O=C(NCCCc1nc(-c2ccc([O-])cc2)no1)c1ccc(Cl)cc1 ZINC000436779740 501210433 /nfs/dbraw/zinc/21/04/33/501210433.db2.gz XYBFXPRHXVNLPQ-UHFFFAOYSA-N -1 3 357.797 3.458 20 0 FGADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCC[C@](F)(CO)C1 ZINC000436782436 501210766 /nfs/dbraw/zinc/21/07/66/501210766.db2.gz IAVVVYCCGOMRMR-OAQYLSRUSA-N -1 3 357.425 3.114 20 0 FGADHM C[C@H](CC1CCCCC1)NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436784562 501211097 /nfs/dbraw/zinc/21/10/97/501211097.db2.gz LRLQKYJHTFXAHU-MRXNPFEDSA-N -1 3 373.497 3.219 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C)c2ncc(-c3ccccc3)o2)c1 ZINC000436788165 501211572 /nfs/dbraw/zinc/21/15/72/501211572.db2.gz UNYGVTIRRHITMO-LBPRGKRZSA-N -1 3 365.389 3.497 20 0 FGADHM CCc1ccc(C(=O)Nc2ccc(C(=O)NCC(F)(F)F)cc2)c([O-])c1 ZINC000436804931 501213928 /nfs/dbraw/zinc/21/39/28/501213928.db2.gz CELKLCYUPPRKQG-UHFFFAOYSA-N -1 3 366.339 3.499 20 0 FGADHM O=C(CCCc1ccccc1)N[C@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC000436811247 501214890 /nfs/dbraw/zinc/21/48/90/501214890.db2.gz INSZGJLXLAMFFW-SFHVURJKSA-N -1 3 366.461 3.136 20 0 FGADHM COCCN(C(=O)c1cc(Cc2ccccc2)ccc1[O-])[C@H]1CCO[C@H]1C ZINC000436823984 501216727 /nfs/dbraw/zinc/21/67/27/501216727.db2.gz YDOLQSAVPVZCTI-JXFKEZNVSA-N -1 3 369.461 3.249 20 0 FGADHM CC1(C)Cc2ccc(C(=O)Nc3ncn(C4CCCCC4)n3)c([O-])c2O1 ZINC000436832992 501218493 /nfs/dbraw/zinc/21/84/93/501218493.db2.gz UQBIXHITRQIPLL-UHFFFAOYSA-N -1 3 356.426 3.455 20 0 FGADHM O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1c([O-])cccc1O ZINC000436846889 501220579 /nfs/dbraw/zinc/22/05/79/501220579.db2.gz ZAKRYNLLUCTLMC-UHFFFAOYSA-N -1 3 364.405 3.335 20 0 FGADHM CC(=O)c1ccc(C(=O)NC[C@@H](c2cccs2)N2CCCC2)cc1[O-] ZINC000436850576 501221099 /nfs/dbraw/zinc/22/10/99/501221099.db2.gz IGEHRUOYOLJVCZ-INIZCTEOSA-N -1 3 358.463 3.223 20 0 FGADHM Cc1ccc(C)c(CN(C)C(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])c1 ZINC000436868596 501224699 /nfs/dbraw/zinc/22/46/99/501224699.db2.gz AKHMXQUBHYSEQZ-IBGZPJMESA-N -1 3 366.461 3.272 20 0 FGADHM COC(=O)[C@H](NC(=O)c1cc(C)ccc1[O-])c1ccc(OC)c(Cl)c1 ZINC000436880991 501226735 /nfs/dbraw/zinc/22/67/35/501226735.db2.gz UWICSDXGHJTGLX-MRXNPFEDSA-N -1 3 363.797 3.007 20 0 FGADHM COc1cc(C=C(Cc2ccccc2)c2nccc(=O)[n-]2)cc(OC)c1O ZINC000436886941 501227054 /nfs/dbraw/zinc/22/70/54/501227054.db2.gz MUJXBXZHGYRBMR-WJDWOHSUSA-N -1 3 364.401 3.276 20 0 FGADHM COC(=O)c1cccc(OCc2noc(-c3cc(C)cc(OC)c3[O-])n2)c1 ZINC000436888465 501227774 /nfs/dbraw/zinc/22/77/74/501227774.db2.gz SIXUVKLLTSKMJA-UHFFFAOYSA-N -1 3 370.361 3.125 20 0 FGADHM Cn1cccc1[C@H]1COCCN1C(=O)CCc1ccc2ccccc2c1[O-] ZINC000450909573 501228286 /nfs/dbraw/zinc/22/82/86/501228286.db2.gz UJQJSEGBZRSAHA-HXUWFJFHSA-N -1 3 364.445 3.417 20 0 FGADHM COc1cc(C)cc(-c2nc(-c3ccc(N4CCOCC4)cc3)no2)c1[O-] ZINC000436898812 501229508 /nfs/dbraw/zinc/22/95/08/501229508.db2.gz AAHHHRVUTPMLLW-UHFFFAOYSA-N -1 3 367.405 3.263 20 0 FGADHM O=C(Cc1ccc([O-])c(F)c1)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000450314393 501231457 /nfs/dbraw/zinc/23/14/57/501231457.db2.gz MWFMQTSVYSVCNZ-LBPRGKRZSA-N -1 3 366.795 3.261 20 0 FGADHM C[C@H](CCN1CCN(C(=O)c2ccccc2[O-])CC1)OCc1ccccc1 ZINC000436927713 501233914 /nfs/dbraw/zinc/23/39/14/501233914.db2.gz OUCBMTJZHTWNQG-GOSISDBHSA-N -1 3 368.477 3.145 20 0 FGADHM CCCCn1ccnc1-c1cccc([N-]S(=O)(=O)C[C@H](C)OC)c1 ZINC000450978817 501236642 /nfs/dbraw/zinc/23/66/42/501236642.db2.gz FXGGUGLLKFIHEN-AWEZNQCLSA-N -1 3 351.472 3.127 20 0 FGADHM CO[C@@H](C)CS(=O)(=O)[N-]c1cccnc1Nc1ccc(Cl)cc1 ZINC000450982138 501236834 /nfs/dbraw/zinc/23/68/34/501236834.db2.gz RZPMUOFZXCUMOH-NSHDSACASA-N -1 3 355.847 3.255 20 0 FGADHM CC(C)(C)Oc1cccc(C[N-]S(=O)(=O)c2sccc2Cl)n1 ZINC000451358148 501274313 /nfs/dbraw/zinc/27/43/13/501274313.db2.gz BEUVHIMAAUIIHX-UHFFFAOYSA-N -1 3 360.888 3.452 20 0 FGADHM CC(C)(C)OCc1cc(C[N-]S(=O)(=O)c2cccc3ccoc32)no1 ZINC000451418341 501287883 /nfs/dbraw/zinc/28/78/83/501287883.db2.gz MJYAXMYKBPAJBG-UHFFFAOYSA-N -1 3 364.423 3.214 20 0 FGADHM O=C(Cc1ccc([O-])c(F)c1)N1CCC(N2CCc3ccccc32)CC1 ZINC000451464145 501298295 /nfs/dbraw/zinc/29/82/95/501298295.db2.gz FDYWWUKYKUWAKG-UHFFFAOYSA-N -1 3 354.425 3.128 20 0 FGADHM CC(C)(CO)[C@H]([N-]S(=O)(=O)c1ccc2ccccc2c1F)C1CC1 ZINC000451562716 501325229 /nfs/dbraw/zinc/32/52/29/501325229.db2.gz CXJHOWBBOGZRQW-QGZVFWFLSA-N -1 3 351.443 3.054 20 0 FGADHM O=C(NC[C@H]1CCCN(c2ccccc2)C1)c1c[n-]nc1-c1ccccn1 ZINC000582479277 506246885 /nfs/dbraw/zinc/24/68/85/506246885.db2.gz SBWBOAWYKMNKQG-MRXNPFEDSA-N -1 3 361.449 3.118 20 0 FGADHM CCC1([N-]S(=O)(=O)c2cc(Cl)c(OC)cc2Br)CC1 ZINC000451694056 501352388 /nfs/dbraw/zinc/35/23/88/501352388.db2.gz ZOTVUIUFUVLQMN-UHFFFAOYSA-N -1 3 368.680 3.332 20 0 FGADHM COc1cccc(NC(=O)[C@H](c2ccccc2)N2CC[C@](C)(C(=O)[O-])C2)c1 ZINC000455639273 501353192 /nfs/dbraw/zinc/35/31/92/501353192.db2.gz OJWCEDYNFPXHQH-RXVVDRJESA-N -1 3 368.433 3.172 20 0 FGADHM CC(C)C[C@@H]1C[C@H]1NC(=O)Cc1csc(NC(=O)c2cccc([O-])c2)n1 ZINC000458001056 501353707 /nfs/dbraw/zinc/35/37/07/501353707.db2.gz YQCOLKQIHCNUCC-CZUORRHYSA-N -1 3 373.478 3.194 20 0 FGADHM COC1CCC(NC(=O)c2ccc(C(=O)c3cccc([O-])c3)cc2)CC1 ZINC000458063178 501364924 /nfs/dbraw/zinc/36/49/24/501364924.db2.gz MPLABJSKHADSRE-UHFFFAOYSA-N -1 3 353.418 3.311 20 0 FGADHM Cc1ncsc1CC[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000451791364 501373225 /nfs/dbraw/zinc/37/32/25/501373225.db2.gz XJLQDTUKWVNSFG-UHFFFAOYSA-N -1 3 368.377 3.130 20 0 FGADHM Cc1cccc(S(=O)(=O)[N-]C[C@H]2CCCC2(F)F)c1Br ZINC000451822461 501380217 /nfs/dbraw/zinc/38/02/17/501380217.db2.gz KGKKMVCGELHIMJ-SNVBAGLBSA-N -1 3 368.243 3.471 20 0 FGADHM CC(C)c1ncc(Cl)c(C(=O)[N-]c2cc3oc(=O)n(C)c3cc2F)n1 ZINC000458178739 501385765 /nfs/dbraw/zinc/38/57/65/501385765.db2.gz OCAWKZJWMZIXIX-UHFFFAOYSA-N -1 3 364.764 3.090 20 0 FGADHM CCc1ncc(C[N-]S(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)o1 ZINC000451957213 501407827 /nfs/dbraw/zinc/40/78/27/501407827.db2.gz JFDFSNCJJMSDPB-UHFFFAOYSA-N -1 3 368.764 3.388 20 0 FGADHM CCC[C@H](NC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)C1CCCC1 ZINC000458341626 501423441 /nfs/dbraw/zinc/42/34/41/501423441.db2.gz NXQJEKXPTPKULY-HNNXBMFYSA-N -1 3 356.463 3.286 20 0 FGADHM O=S(=O)([N-][C@@H](c1cccs1)C1(CO)CCC1)c1ccc(F)c(F)c1 ZINC000452083488 501431459 /nfs/dbraw/zinc/43/14/59/501431459.db2.gz JWLHOVPZGBZFOG-HNNXBMFYSA-N -1 3 373.446 3.209 20 0 FGADHM O=C(Cc1ccc(Br)cc1[O-])NCCCC1CCOCC1 ZINC000452195824 501458861 /nfs/dbraw/zinc/45/88/61/501458861.db2.gz BVABLDCBAAMHSK-UHFFFAOYSA-N -1 3 356.260 3.020 20 0 FGADHM C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000458672633 501504174 /nfs/dbraw/zinc/50/41/74/501504174.db2.gz YVMPLFFKTKQUDY-MDZLAQPJSA-N -1 3 367.375 3.300 20 0 FGADHM C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000458672633 501504176 /nfs/dbraw/zinc/50/41/76/501504176.db2.gz YVMPLFFKTKQUDY-MDZLAQPJSA-N -1 3 367.375 3.300 20 0 FGADHM C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000458672633 501504180 /nfs/dbraw/zinc/50/41/80/501504180.db2.gz YVMPLFFKTKQUDY-MDZLAQPJSA-N -1 3 367.375 3.300 20 0 FGADHM CCc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])cc1OC ZINC000456583232 501552572 /nfs/dbraw/zinc/55/25/72/501552572.db2.gz NXEKRIPQEQDFOY-QGZVFWFLSA-N -1 3 368.433 3.207 20 0 FGADHM CC(C)c1ccc(C(=O)N2CCN(CC(F)(F)F)C[C@@H](C)C2)c([O-])c1 ZINC000456634634 501562841 /nfs/dbraw/zinc/56/28/41/501562841.db2.gz DAPUSVQKJKOXDI-CYBMUJFWSA-N -1 3 358.404 3.472 20 0 FGADHM Cc1cc(Cl)c(NC(=O)[C@@H](C)[N-]S(=O)(=O)c2cccs2)cc1C ZINC000452863704 501576537 /nfs/dbraw/zinc/57/65/37/501576537.db2.gz VWRXCQZTIDVSDM-LLVKDONJSA-N -1 3 372.899 3.324 20 0 FGADHM CCO[C@@H]1CCCC[C@H]1NC(=O)Cc1ccc(Br)cc1[O-] ZINC000456931729 501621839 /nfs/dbraw/zinc/62/18/39/501621839.db2.gz HWHFQOQTRUHPRA-UKRRQHHQSA-N -1 3 356.260 3.161 20 0 FGADHM [O-]c1cccc(CN2CCO[C@@H](c3nccs3)C2)c1Br ZINC000459333349 501632672 /nfs/dbraw/zinc/63/26/72/501632672.db2.gz ZXRRRZFWFXUZLH-GFCCVEGCSA-N -1 3 355.257 3.185 20 0 FGADHM CCOC(=O)CN(Cc1cc(Br)c([O-])c(OCC)c1)C(C)C ZINC000459333665 501633376 /nfs/dbraw/zinc/63/33/76/501633376.db2.gz ZSIVOFZOVDXVJD-UHFFFAOYSA-N -1 3 374.275 3.327 20 0 FGADHM CCOc1cc(CN2CC[C@@H]([C@H]3CCOC3)C2)cc(Br)c1[O-] ZINC000459336532 501633703 /nfs/dbraw/zinc/63/37/03/501633703.db2.gz HZCQWROVZNZONL-KGLIPLIRSA-N -1 3 370.287 3.412 20 0 FGADHM CCOc1cc(CN2CCC[C@H]2[C@@H](O)C(F)(F)F)cc(Cl)c1[O-] ZINC000459337643 501634545 /nfs/dbraw/zinc/63/45/45/501634545.db2.gz RDBAVPVYLQXUGL-SMDDNHRTSA-N -1 3 353.768 3.332 20 0 FGADHM Cn1cc([C@H](NCc2cc(=O)[n-]c(-c3ccccc3)n2)C(C)(C)C)cn1 ZINC000459392441 501645788 /nfs/dbraw/zinc/64/57/88/501645788.db2.gz WJHQKOSULHZCBK-SFHVURJKSA-N -1 3 351.454 3.460 20 0 FGADHM CC(C)NC(=O)[C@@H]1CCC[C@H](NCc2cccc([O-])c2Br)C1 ZINC000459405912 501647805 /nfs/dbraw/zinc/64/78/05/501647805.db2.gz FNAXGSCYEIZYIZ-OCCSQVGLSA-N -1 3 369.303 3.328 20 0 FGADHM [O-]c1cccc(CN[C@@H]2CCO[C@]3(CCSC3)C2)c1Br ZINC000459456218 501656837 /nfs/dbraw/zinc/65/68/37/501656837.db2.gz ZIUXLPWUYCWKSY-IUODEOHRSA-N -1 3 358.301 3.299 20 0 FGADHM Cn1ccnc1C[C@H]1CCCN(Cc2cccc([O-])c2Br)C1 ZINC000459468208 501658797 /nfs/dbraw/zinc/65/87/97/501658797.db2.gz BOMLLNTYPVCGTA-CYBMUJFWSA-N -1 3 364.287 3.343 20 0 FGADHM CCOc1cc(CNCc2cn(C)nc2CC)cc(Br)c1[O-] ZINC000459473630 501659755 /nfs/dbraw/zinc/65/97/55/501659755.db2.gz XABRYCDAZKVIHT-UHFFFAOYSA-N -1 3 368.275 3.139 20 0 FGADHM CCOc1cc(CN2CCC[C@]2(C)C(=O)OC)cc(Br)c1[O-] ZINC000459494442 501663653 /nfs/dbraw/zinc/66/36/53/501663653.db2.gz BBFIBZTZOPTBKQ-MRXNPFEDSA-N -1 3 372.259 3.081 20 0 FGADHM COCC[C@H](Cc1ccco1)NCc1cccc([O-])c1Br ZINC000459493552 501663745 /nfs/dbraw/zinc/66/37/45/501663745.db2.gz ZMNOZMUKTRCLSQ-CYBMUJFWSA-N -1 3 354.244 3.485 20 0 FGADHM CC[C@]1(C(C)C)C[C@H]1NC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000457281652 501675475 /nfs/dbraw/zinc/67/54/75/501675475.db2.gz MPINZBUUSGAJOH-DYESRHJHSA-N -1 3 368.481 3.014 20 0 FGADHM CC(C)OCc1nc([C@@H](C)NCc2cccc([O-])c2Br)no1 ZINC000459555612 501675926 /nfs/dbraw/zinc/67/59/26/501675926.db2.gz HWRSUOFGXWQWDM-SNVBAGLBSA-N -1 3 370.247 3.314 20 0 FGADHM [O-]c1cccc(CNC[C@@]2(CO)C[C@H]2c2ccccc2)c1Br ZINC000459559156 501676592 /nfs/dbraw/zinc/67/65/92/501676592.db2.gz HWJRMGNNXMYYGZ-MAUKXSAKSA-N -1 3 362.267 3.411 20 0 FGADHM Cn1nc2c(c1CNCc1cccc([O-])c1Br)CCCC2 ZINC000459565643 501677469 /nfs/dbraw/zinc/67/74/69/501677469.db2.gz YGMQWDZLCFAWEG-UHFFFAOYSA-N -1 3 350.260 3.057 20 0 FGADHM CCOC(=O)[C@@H]1CCCC[C@@H]1NCc1cccc([O-])c1Br ZINC000459571075 501678957 /nfs/dbraw/zinc/67/89/57/501678957.db2.gz FHSIQBICNUOZMI-OLZOCXBDSA-N -1 3 356.260 3.366 20 0 FGADHM CCOc1cc(CN2CC[C@H]([C@@H](O)C(F)(F)F)C2)cc(Cl)c1[O-] ZINC000459575471 501679387 /nfs/dbraw/zinc/67/93/87/501679387.db2.gz UCPHHVFOZSADII-IINYFYTJSA-N -1 3 353.768 3.189 20 0 FGADHM COc1ccccc1N(CCO)Cc1cccc([O-])c1Br ZINC000459573375 501679497 /nfs/dbraw/zinc/67/94/97/501679497.db2.gz VOKBYUORRDMLED-UHFFFAOYSA-N -1 3 352.228 3.162 20 0 FGADHM CCOc1cc(CN2CC[C@@H]([C@H](O)C(F)(F)F)C2)cc(Cl)c1[O-] ZINC000459575473 501679613 /nfs/dbraw/zinc/67/96/13/501679613.db2.gz UCPHHVFOZSADII-YGRLFVJLSA-N -1 3 353.768 3.189 20 0 FGADHM CC[C@H](C)[C@H](CNC(=O)NCc1ccc([O-])c(Br)c1)OC ZINC000455221719 501710565 /nfs/dbraw/zinc/71/05/65/501710565.db2.gz KCTQZESHKYTYNX-HZMBPMFUSA-N -1 3 359.264 3.015 20 0 FGADHM COCCC1([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2F)CCC1 ZINC000481270873 501729052 /nfs/dbraw/zinc/72/90/52/501729052.db2.gz WWYUDSOOWJYCSR-UHFFFAOYSA-N -1 3 355.353 3.082 20 0 FGADHM COC[C@@H]([N-]S(=O)(=O)c1ccc(OCCC(C)C)cc1)c1ccco1 ZINC000474170548 501729984 /nfs/dbraw/zinc/72/99/84/501729984.db2.gz DTYGYJRYBVZIET-QGZVFWFLSA-N -1 3 367.467 3.371 20 0 FGADHM COc1ccc2c(c1)CCN2C(=O)Cc1ccc(Br)cc1[O-] ZINC000477611080 501737173 /nfs/dbraw/zinc/73/71/73/501737173.db2.gz KSPSRCPFDBDPCH-UHFFFAOYSA-N -1 3 362.223 3.295 20 0 FGADHM CC(C)[C@@H]1CCC[C@@H](NC(=O)[C@H](C)[N-]S(=O)(=O)c2cccs2)CC1 ZINC000470593875 501738928 /nfs/dbraw/zinc/73/89/28/501738928.db2.gz BMLAWXVFIANXFN-RRFJBIMHSA-N -1 3 372.556 3.136 20 0 FGADHM O=C(NCCOC1CCCCC1)NCc1ccc([O-])c(Br)c1 ZINC000485154015 501741024 /nfs/dbraw/zinc/74/10/24/501741024.db2.gz DYFMUYLHTDELOL-UHFFFAOYSA-N -1 3 371.275 3.303 20 0 FGADHM CC(C)(C)c1nnc2ccc(C(=O)N=c3cc(-c4ccccc4)[n-][nH]3)cn21 ZINC000470608056 501741583 /nfs/dbraw/zinc/74/15/83/501741583.db2.gz DTIRUVPDNVPMJU-UHFFFAOYSA-N -1 3 360.421 3.091 20 0 FGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]C[C@H](C)N(C)C1CC1 ZINC000470611676 501742791 /nfs/dbraw/zinc/74/27/91/501742791.db2.gz PEFNSLBYDHDDNN-JTQLQIEISA-N -1 3 356.875 3.156 20 0 FGADHM COC(=O)c1c(F)ccc([N-]C(=O)c2c(F)ccc(OC)c2OC)c1F ZINC000485161397 501743034 /nfs/dbraw/zinc/74/30/34/501743034.db2.gz ODRKVXNIBASZMH-UHFFFAOYSA-N -1 3 369.295 3.160 20 0 FGADHM COC(=O)c1c(F)ccc([N-]C(=O)c2noc3c2C[C@H](C)CC3)c1F ZINC000485172044 501746827 /nfs/dbraw/zinc/74/68/27/501746827.db2.gz RSXOPTUYZDVZMW-MRVPVSSYSA-N -1 3 350.321 3.117 20 0 FGADHM O=C([N-]c1nnc(-c2ccc(Cl)cc2F)s1)c1cnn2cccnc12 ZINC000470628833 501748959 /nfs/dbraw/zinc/74/89/59/501748959.db2.gz XRFGZNAOTKJRHX-UHFFFAOYSA-N -1 3 374.788 3.293 20 0 FGADHM COc1cc(C)c(Br)cc1NC(=O)NCc1ncccc1[O-] ZINC000470644560 501754644 /nfs/dbraw/zinc/75/46/44/501754644.db2.gz LLYZBQHHGHTYIY-UHFFFAOYSA-N -1 3 366.215 3.188 20 0 FGADHM Cc1ncc(CNC(=O)Nc2ccc(Cl)cc2OC(F)F)c(=O)[n-]1 ZINC000460241556 501769424 /nfs/dbraw/zinc/76/94/24/501769424.db2.gz ZEEBXDMVLKKSID-UHFFFAOYSA-N -1 3 358.732 3.067 20 0 FGADHM Cc1nc(-c2ccc(NC(=O)N[C@H]3CCCc4c[nH]nc43)cc2)cc(=O)[n-]1 ZINC000481454918 501779660 /nfs/dbraw/zinc/77/96/60/501779660.db2.gz JOBRFLUZPXKPDJ-HNNXBMFYSA-N -1 3 364.409 3.080 20 0 FGADHM Cc1cc(=NC(=O)N(C)[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)[n-]nc1C ZINC000467474633 501803179 /nfs/dbraw/zinc/80/31/79/501803179.db2.gz VTRSKVSDNQDONJ-QFBILLFUSA-N -1 3 367.497 3.032 20 0 FGADHM CCOC(=O)[C@H](CC)N(C(=O)CCCc1ccc([O-])c(F)c1)C1CC1 ZINC000470798595 501806917 /nfs/dbraw/zinc/80/69/17/501806917.db2.gz QRRVSDVRQIAGOU-INIZCTEOSA-N -1 3 351.418 3.187 20 0 FGADHM Cc1c(Cl)cc(F)c([N-]S(=O)(=O)c2c(Cl)cnn2C)c1F ZINC000485393588 501807293 /nfs/dbraw/zinc/80/72/93/501807293.db2.gz OSFRPQYMMGPDGH-UHFFFAOYSA-N -1 3 356.181 3.114 20 0 FGADHM CCOC[C@@H]([N-]S(=O)(=O)c1ccc(OC)c(Cl)c1Cl)C(C)C ZINC000474377517 501812511 /nfs/dbraw/zinc/81/25/11/501812511.db2.gz OULBSSDDIUUIMQ-SNVBAGLBSA-N -1 3 370.298 3.341 20 0 FGADHM CCc1onc(-c2ccccc2)c1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000474414309 501827707 /nfs/dbraw/zinc/82/77/07/501827707.db2.gz KWAZFJLTXGZNDM-UHFFFAOYSA-N -1 3 360.377 3.336 20 0 FGADHM CCc1onc(-c2ccccc2)c1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000474414309 501827714 /nfs/dbraw/zinc/82/77/14/501827714.db2.gz KWAZFJLTXGZNDM-UHFFFAOYSA-N -1 3 360.377 3.336 20 0 FGADHM O=c1[n-]c(CN2CCC(O)(Cc3ccc(F)cc3)CC2)nc2ccsc21 ZINC000481604189 501829290 /nfs/dbraw/zinc/82/92/90/501829290.db2.gz CDLDPVKUNZIBNQ-UHFFFAOYSA-N -1 3 373.453 3.106 20 0 FGADHM O=C(N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1)[C@@H]1CCOc2ccccc21 ZINC000467719703 501854017 /nfs/dbraw/zinc/85/40/17/501854017.db2.gz DXFPMMLGFOWGIB-OAHLLOKOSA-N -1 3 355.344 3.282 20 0 FGADHM C[C@H](NCCCNC(=O)c1cccc([O-])c1)c1nc(C(F)(F)F)cs1 ZINC000467732317 501856554 /nfs/dbraw/zinc/85/65/54/501856554.db2.gz GFFBGNBOXWOPSG-JTQLQIEISA-N -1 3 373.400 3.338 20 0 FGADHM O=S(=O)([N-]Cc1nccn1-c1ccccc1)c1ccc(Cl)cc1F ZINC000460580405 501867505 /nfs/dbraw/zinc/86/75/05/501867505.db2.gz BQNMGTOPEGAJNW-UHFFFAOYSA-N -1 3 365.817 3.143 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]Cc2nccn2-c2ccccc2)sc1Cl ZINC000460592698 501871305 /nfs/dbraw/zinc/87/13/05/501871305.db2.gz UYNRKMMDMPIICM-UHFFFAOYSA-N -1 3 367.883 3.374 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)[C@@H](c2ccccc2)N(C)C)c(F)c1 ZINC000474583082 501883863 /nfs/dbraw/zinc/88/38/63/501883863.db2.gz GZAOOAVAVIEUGD-KSSFIOAISA-N -1 3 350.459 3.104 20 0 FGADHM Cc1ccc([O-])c(C(=O)N[C@@H](CO)c2ccccc2OC(F)(F)F)c1 ZINC000478126735 501888255 /nfs/dbraw/zinc/88/82/55/501888255.db2.gz TXFHJFJSXGLMDQ-ZDUSSCGKSA-N -1 3 355.312 3.063 20 0 FGADHM CCCCc1nc(C(=O)OCC)c(NC(=O)C(=O)c2ccc(C)cc2)[n-]1 ZINC000485672845 501895836 /nfs/dbraw/zinc/89/58/36/501895836.db2.gz OZWSSHXEDQDHIH-UHFFFAOYSA-N -1 3 357.410 3.059 20 0 FGADHM CCCCc1nc(NC(=O)C(=O)c2ccc(C)cc2)c(C(=O)OCC)[n-]1 ZINC000485672845 501895840 /nfs/dbraw/zinc/89/58/40/501895840.db2.gz OZWSSHXEDQDHIH-UHFFFAOYSA-N -1 3 357.410 3.059 20 0 FGADHM CCc1cc(C(=O)Nc2ccc(C(=O)NCC(F)(F)F)cc2)ccc1[O-] ZINC000485674833 501897538 /nfs/dbraw/zinc/89/75/38/501897538.db2.gz WUFIIGNXIICJQX-UHFFFAOYSA-N -1 3 366.339 3.499 20 0 FGADHM CCc1ccc([O-])c(C(=O)N2CC[C@H](C(=O)N(C)c3ccccc3)C2)c1 ZINC000467886312 501898136 /nfs/dbraw/zinc/89/81/36/501898136.db2.gz BPOWHOYSNQXOAX-INIZCTEOSA-N -1 3 352.434 3.080 20 0 FGADHM CC(C)(C)c1ccc(CCC(=O)NCc2nnc(C(F)(F)F)[n-]2)cc1 ZINC000481897122 501911866 /nfs/dbraw/zinc/91/18/66/501911866.db2.gz RSJNAOSAHZJGHD-UHFFFAOYSA-N -1 3 354.376 3.370 20 0 FGADHM CC(C)(C)c1ccc(CCC(=O)NCc2n[n-]c(C(F)(F)F)n2)cc1 ZINC000481897122 501911873 /nfs/dbraw/zinc/91/18/73/501911873.db2.gz RSJNAOSAHZJGHD-UHFFFAOYSA-N -1 3 354.376 3.370 20 0 FGADHM CC(C)(C)c1ccc(CCC(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000481897122 501911880 /nfs/dbraw/zinc/91/18/80/501911880.db2.gz RSJNAOSAHZJGHD-UHFFFAOYSA-N -1 3 354.376 3.370 20 0 FGADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)C1c2ccccc2Oc2ccccc21 ZINC000481908465 501915627 /nfs/dbraw/zinc/91/56/27/501915627.db2.gz XLTBIFZZTJFPLH-UHFFFAOYSA-N -1 3 374.322 3.378 20 0 FGADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)C1c2ccccc2Oc2ccccc21 ZINC000481908465 501915629 /nfs/dbraw/zinc/91/56/29/501915629.db2.gz XLTBIFZZTJFPLH-UHFFFAOYSA-N -1 3 374.322 3.378 20 0 FGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)C1c2ccccc2Oc2ccccc21 ZINC000481908465 501915633 /nfs/dbraw/zinc/91/56/33/501915633.db2.gz XLTBIFZZTJFPLH-UHFFFAOYSA-N -1 3 374.322 3.378 20 0 FGADHM COC(=O)c1ccsc1[N-]C(=O)c1nc(C)sc1Br ZINC000485731173 501917730 /nfs/dbraw/zinc/91/77/30/501917730.db2.gz VDQANZZKPBAARW-UHFFFAOYSA-N -1 3 361.242 3.314 20 0 FGADHM COC(C)(C)c1nc(C)c(C(=O)[N-]c2nc3ccc(Cl)cn3n2)s1 ZINC000464203699 501920527 /nfs/dbraw/zinc/92/05/27/501920527.db2.gz IIXPIWPTLVPBFF-UHFFFAOYSA-N -1 3 365.846 3.281 20 0 FGADHM CC1(C)[C@H](NC(=O)c2ccc3n[n-]nc3c2)C[C@@H]1OCc1ccccc1 ZINC000474689325 501922123 /nfs/dbraw/zinc/92/21/23/501922123.db2.gz WWFYKLLHMVGHHV-MSOLQXFVSA-N -1 3 350.422 3.072 20 0 FGADHM O=C(N[C@@H](Cc1ccccc1)[C@@H](O)C(F)F)c1cc([O-])ccc1Cl ZINC000481942665 501925469 /nfs/dbraw/zinc/92/54/69/501925469.db2.gz HFJDUSASTYLJCX-LSDHHAIUSA-N -1 3 355.768 3.013 20 0 FGADHM CCN=c1[n-]c(C(=O)N[C@H](C)c2cnn(-c3ccc(F)cc3)c2C)cs1 ZINC000478265516 501926036 /nfs/dbraw/zinc/92/60/36/501926036.db2.gz IKYSOMZRDCDZOL-LLVKDONJSA-N -1 3 373.457 3.121 20 0 FGADHM COc1cc(C(=O)Nc2nnc(-c3c(F)cccc3F)[n-]2)cc(OC)c1C ZINC000478318738 501941476 /nfs/dbraw/zinc/94/14/76/501941476.db2.gz YCPOFYZYMWEEAL-UHFFFAOYSA-N -1 3 374.347 3.328 20 0 FGADHM COc1cc(C(=O)Nc2nc(-c3c(F)cccc3F)n[n-]2)cc(OC)c1C ZINC000478318738 501941482 /nfs/dbraw/zinc/94/14/82/501941482.db2.gz YCPOFYZYMWEEAL-UHFFFAOYSA-N -1 3 374.347 3.328 20 0 FGADHM COc1cc(C(=O)Nc2n[n-]c(-c3c(F)cccc3F)n2)cc(OC)c1C ZINC000478318738 501941485 /nfs/dbraw/zinc/94/14/85/501941485.db2.gz YCPOFYZYMWEEAL-UHFFFAOYSA-N -1 3 374.347 3.328 20 0 FGADHM CCc1cc(C(=O)N2CCN(C(=O)c3ccc(C)c(F)c3)CC2)ccc1[O-] ZINC000485818531 501949268 /nfs/dbraw/zinc/94/92/68/501949268.db2.gz WFVAZIWEBLJIHA-UHFFFAOYSA-N -1 3 370.424 3.000 20 0 FGADHM CCc1ncc(S(=O)(=O)[N-]C(C)(C)Cc2ccccc2OC)s1 ZINC000460941315 501965009 /nfs/dbraw/zinc/96/50/09/501965009.db2.gz SHPAAJAPMASWMW-UHFFFAOYSA-N -1 3 354.497 3.014 20 0 FGADHM CCc1ncc(S(=O)(=O)[N-]Cc2nc3cc(Cl)ccc3s2)s1 ZINC000460945079 501966553 /nfs/dbraw/zinc/96/65/53/501966553.db2.gz UJFGRKQCMRWBGR-UHFFFAOYSA-N -1 3 373.912 3.447 20 0 FGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(Cl)c(NC(C)=O)c1 ZINC000474841536 501968791 /nfs/dbraw/zinc/96/87/91/501968791.db2.gz QEBAIARTNHDUCJ-UHFFFAOYSA-N -1 3 366.830 3.077 20 0 FGADHM CCc1ncc(S(=O)(=O)[N-]Cc2csc(Br)c2)s1 ZINC000460959853 501971393 /nfs/dbraw/zinc/97/13/93/501971393.db2.gz QBUIAORFFUFIKD-UHFFFAOYSA-N -1 3 367.315 3.008 20 0 FGADHM CCc1ncc(S(=O)(=O)[N-][C@@H](c2nccs2)c2ccccc2)s1 ZINC000460970076 501974889 /nfs/dbraw/zinc/97/48/89/501974889.db2.gz UMHPIGCKANGMSP-CQSZACIVSA-N -1 3 365.505 3.230 20 0 FGADHM CCOCCOc1ccc(Cl)cc1NC(=O)NCc1ncccc1[O-] ZINC000471293694 501981572 /nfs/dbraw/zinc/98/15/72/501981572.db2.gz TYKNQBPFLJTZGY-UHFFFAOYSA-N -1 3 365.817 3.178 20 0 FGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)NC/C=C\c1ccccc1 ZINC000482136229 501985967 /nfs/dbraw/zinc/98/59/67/501985967.db2.gz BABAENNLZBWYFF-DAXSKMNVSA-N -1 3 371.238 3.354 20 0 FGADHM CCc1cc(C(=O)NCc2ccc(Cn3ccccc3=O)cc2)ccc1[O-] ZINC000485918766 501987317 /nfs/dbraw/zinc/98/73/17/501987317.db2.gz FIFNYRMJDZNXKU-UHFFFAOYSA-N -1 3 362.429 3.095 20 0 FGADHM C[C@@H]1CCN(C(=O)N=c2cc3ccc(Br)cn3[n-]2)C[C@H]1C ZINC000482168570 501995488 /nfs/dbraw/zinc/99/54/88/501995488.db2.gz KDONUJBLJCPNEF-GHMZBOCLSA-N -1 3 351.248 3.029 20 0 FGADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)c1ccccc1Nc1ccccc1 ZINC000482219504 502010265 /nfs/dbraw/zinc/01/02/65/502010265.db2.gz WEEUHPOCZFKLPE-UHFFFAOYSA-N -1 3 361.327 3.497 20 0 FGADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)c1ccccc1Nc1ccccc1 ZINC000482219504 502010268 /nfs/dbraw/zinc/01/02/68/502010268.db2.gz WEEUHPOCZFKLPE-UHFFFAOYSA-N -1 3 361.327 3.497 20 0 FGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1ccccc1Nc1ccccc1 ZINC000482219504 502010270 /nfs/dbraw/zinc/01/02/70/502010270.db2.gz WEEUHPOCZFKLPE-UHFFFAOYSA-N -1 3 361.327 3.497 20 0 FGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)Cc1cccc(C(F)F)c1 ZINC000468263199 502010733 /nfs/dbraw/zinc/01/07/33/502010733.db2.gz WARTXBNTXGIHFJ-UHFFFAOYSA-N -1 3 354.378 3.177 20 0 FGADHM Cc1cccc(C2(C(=O)NCc3nnc(C(F)(F)F)[n-]3)CCCC2)c1 ZINC000482234803 502014911 /nfs/dbraw/zinc/01/49/11/502014911.db2.gz OCNSMQUCRBELND-UHFFFAOYSA-N -1 3 352.360 3.260 20 0 FGADHM Cc1cccc(C2(C(=O)NCc3n[n-]c(C(F)(F)F)n3)CCCC2)c1 ZINC000482234803 502014916 /nfs/dbraw/zinc/01/49/16/502014916.db2.gz OCNSMQUCRBELND-UHFFFAOYSA-N -1 3 352.360 3.260 20 0 FGADHM Cc1cccc(C2(C(=O)NCc3nc(C(F)(F)F)n[n-]3)CCCC2)c1 ZINC000482234803 502014922 /nfs/dbraw/zinc/01/49/22/502014922.db2.gz OCNSMQUCRBELND-UHFFFAOYSA-N -1 3 352.360 3.260 20 0 FGADHM CCOc1c(Cl)cc([N-]S(=O)(=O)C[C@H]2CCCO2)cc1Cl ZINC000464548179 502024058 /nfs/dbraw/zinc/02/40/58/502024058.db2.gz WSQZATPXGZEKDP-SNVBAGLBSA-N -1 3 354.255 3.313 20 0 FGADHM COc1cc(NC(=O)c2cc(-c3ccco3)[n-]n2)c(OC)c(C)c1OC ZINC000478638552 502040623 /nfs/dbraw/zinc/04/06/23/502040623.db2.gz WLNSFOQIEISGJK-UHFFFAOYSA-N -1 3 357.366 3.256 20 0 FGADHM COc1cc(NC(=O)c2cc(-c3ccco3)n[n-]2)c(OC)c(C)c1OC ZINC000478638552 502040630 /nfs/dbraw/zinc/04/06/30/502040630.db2.gz WLNSFOQIEISGJK-UHFFFAOYSA-N -1 3 357.366 3.256 20 0 FGADHM Cc1ncc(CNC(=O)N[C@@H](c2ccc(Cl)cc2)C(F)(F)F)c(=O)[n-]1 ZINC000482328506 502042081 /nfs/dbraw/zinc/04/20/81/502042081.db2.gz JDCJJDVJFMZNDT-LBPRGKRZSA-N -1 3 374.750 3.247 20 0 FGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]C1(C)Cc2ccccc2C1 ZINC000486093974 502044348 /nfs/dbraw/zinc/04/43/48/502044348.db2.gz VBLKVJYPKVMJPG-UHFFFAOYSA-N -1 3 351.855 3.184 20 0 FGADHM O=C(CCCc1ccc([O-])c(F)c1)NCc1ccc(Cn2ccnc2)cc1 ZINC000468395253 502045022 /nfs/dbraw/zinc/04/50/22/502045022.db2.gz YKHYVMJXYAFXEK-UHFFFAOYSA-N -1 3 367.424 3.415 20 0 FGADHM COc1ccc([C@@H](C)C(=O)N=c2nc(-c3ccccc3Cl)[n-]n2C)cc1 ZINC000461247886 502050818 /nfs/dbraw/zinc/05/08/18/502050818.db2.gz ZRPVCPSHXQPPEG-GFCCVEGCSA-N -1 3 370.840 3.308 20 0 FGADHM Cc1nc([C@@H]2CCCO2)sc1C(=O)[N-]c1nc2cc(Cl)ccn2n1 ZINC000464642878 502052438 /nfs/dbraw/zinc/05/24/38/502052438.db2.gz KLELEYDGAIWXJN-JTQLQIEISA-N -1 3 363.830 3.251 20 0 FGADHM C[C@@H](c1ccccc1)N(C(=O)N=c1cc(OC(F)F)n(C)[n-]1)C1CC1 ZINC000482423058 502063991 /nfs/dbraw/zinc/06/39/91/502063991.db2.gz PDBUWIXPFUPZRU-NSHDSACASA-N -1 3 350.369 3.201 20 0 FGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)c2cc(F)cc(Cl)c2)c1 ZINC000464798176 502098868 /nfs/dbraw/zinc/09/88/68/502098868.db2.gz OZQFOAIGYWMKSM-UHFFFAOYSA-N -1 3 356.806 3.411 20 0 FGADHM CN(C)c1cccc(S(=O)(=O)[N-][C@@H](C2CCCC2)C(F)(F)F)c1 ZINC000471653977 502099999 /nfs/dbraw/zinc/09/99/99/502099999.db2.gz BZOSGYKINREOFR-AWEZNQCLSA-N -1 3 350.406 3.152 20 0 FGADHM CCN(CC)C(=O)c1ccc(NC(=O)c2c[n-]nc2-c2ccncc2)cc1 ZINC000471674992 502105241 /nfs/dbraw/zinc/10/52/41/502105241.db2.gz ZBRKOLYWJAJAFG-UHFFFAOYSA-N -1 3 363.421 3.206 20 0 FGADHM CCN(CC)C(=O)c1ccc(NC(=O)c2cn[n-]c2-c2ccncc2)cc1 ZINC000471674992 502105248 /nfs/dbraw/zinc/10/52/48/502105248.db2.gz ZBRKOLYWJAJAFG-UHFFFAOYSA-N -1 3 363.421 3.206 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)NCc2cccc(-c3cccnc3)c2)c1 ZINC000468605663 502122331 /nfs/dbraw/zinc/12/23/31/502122331.db2.gz BIEQNVGSVCJFBT-UHFFFAOYSA-N -1 3 361.401 3.343 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(Oc3cc(C)[nH]n3)cc2)cc1 ZINC000468609995 502124103 /nfs/dbraw/zinc/12/41/03/502124103.db2.gz RKQUEPMAXLPVGZ-UHFFFAOYSA-N -1 3 359.407 3.320 20 0 FGADHM Cn1nc([C@@H]2CCCOC2)cc1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000468620081 502127465 /nfs/dbraw/zinc/12/74/65/502127465.db2.gz ITBJIDUSHXFIIA-CQSZACIVSA-N -1 3 361.417 3.120 20 0 FGADHM O=C(NCc1cccc(NC(=O)c2ccc(F)cc2)c1)c1csc(=O)[n-]1 ZINC000471780446 502135318 /nfs/dbraw/zinc/13/53/18/502135318.db2.gz LYJMHGKEMGPCOQ-UHFFFAOYSA-N -1 3 371.393 3.170 20 0 FGADHM Cn1nc(-c2cccs2)nc1[N-]C(=O)c1csc(C(F)(F)F)n1 ZINC000582561772 506295888 /nfs/dbraw/zinc/29/58/88/506295888.db2.gz YAURWTSGJBHBRU-UHFFFAOYSA-N -1 3 359.358 3.271 20 0 FGADHM C[N-]S(=O)(=O)c1cc(NC(=O)N2CCC[C@@H](C(C)C)CC2)ccc1F ZINC000486400529 502144033 /nfs/dbraw/zinc/14/40/33/502144033.db2.gz FFXGPCHFRIMBFA-CYBMUJFWSA-N -1 3 371.478 3.024 20 0 FGADHM Cc1ccc(Br)cc1-c1n[n-]c(=NCCN(C)C2CC2)s1 ZINC000468697684 502151347 /nfs/dbraw/zinc/15/13/47/502151347.db2.gz WLMFDRYBNYTARE-UHFFFAOYSA-N -1 3 367.316 3.204 20 0 FGADHM Cn1c2cc([O-])c(NC(=O)c3csc4ccccc34)cc2n(C)c1=O ZINC000461611485 502153824 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CCCN(C)S(=O)(=O)[N-]c1cnn(-c2ccccc2Cl)c1CC ZINC000480216696 502504727 /nfs/dbraw/zinc/50/47/27/502504727.db2.gz AAAXNUFKVDIFAT-UHFFFAOYSA-N -1 3 356.879 3.087 20 0 FGADHM CO[C@H](c1ccccc1F)[C@@H](C)[N-]S(=O)(=O)c1c(C)cccc1F ZINC000476501366 502506763 /nfs/dbraw/zinc/50/67/63/502506763.db2.gz YAOIAIDRLYMWNE-WBMJQRKESA-N -1 3 355.406 3.328 20 0 FGADHM CO[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000466233264 502511500 /nfs/dbraw/zinc/51/15/00/502511500.db2.gz GNUCTHIENJELSJ-DOTOQJQBSA-N -1 3 356.426 3.237 20 0 FGADHM CCOc1nc2ccc(C(=O)N3CCOC[C@H]3c3ccc(C)o3)cc2[n-]1 ZINC000469719288 502515511 /nfs/dbraw/zinc/51/55/11/502515511.db2.gz YRLFWFGKAVLJKN-INIZCTEOSA-N -1 3 355.394 3.077 20 0 FGADHM CCOc1nc2cc(C(=O)N3CCOC[C@H]3c3ccc(C)o3)ccc2[n-]1 ZINC000469719288 502515518 /nfs/dbraw/zinc/51/55/18/502515518.db2.gz YRLFWFGKAVLJKN-INIZCTEOSA-N -1 3 355.394 3.077 20 0 FGADHM Cc1cc(=O)[n-]c([C@H](C)N2CCN(c3cccc(C(F)(F)F)c3)CC2)n1 ZINC000469740921 502527429 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C[C@]1(C[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)CCO[C@H]1C1CC1 ZINC000466567934 502610520 /nfs/dbraw/zinc/61/05/20/502610520.db2.gz RNLMLGRBVCEBRH-LSDHHAIUSA-N -1 3 364.294 3.477 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]C[C@@H]2CCC[C@@H](C(F)(F)F)C2)c(F)c1 ZINC000480690027 502643559 /nfs/dbraw/zinc/64/35/59/502643559.db2.gz QHGGDCBXWFCHOP-GHMZBOCLSA-N -1 3 369.380 3.481 20 0 FGADHM CCOc1cccc([C@H]2C[C@H]2[N-]S(=O)(=O)c2ccc(OC)cc2F)c1 ZINC000480689910 502643767 /nfs/dbraw/zinc/64/37/67/502643767.db2.gz PMGIOPIJXIWIGV-NVXWUHKLSA-N -1 3 365.426 3.067 20 0 FGADHM Cc1ncc(S(=O)(=O)[N-][C@@H](C)c2ccc(OC(F)(F)F)cc2)s1 ZINC000480740337 502658945 /nfs/dbraw/zinc/65/89/45/502658945.db2.gz LDLPPXGUVRTVPP-QMMMGPOBSA-N -1 3 366.386 3.390 20 0 FGADHM COC(=O)c1cc(NC(=O)c2c[n-]nc2-c2ccc(Cl)cc2)cn1C ZINC000488210294 502659482 /nfs/dbraw/zinc/65/94/82/502659482.db2.gz MDLRHLQJZVPMKB-UHFFFAOYSA-N -1 3 358.785 3.108 20 0 FGADHM CC(C)OC(=O)CC[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000480749793 502660885 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FGADHM CCc1nc(C(C)C)ccc1C(=O)NCCCNC(=O)c1cccc([O-])c1 ZINC000480946698 502711904 /nfs/dbraw/zinc/71/19/04/502711904.db2.gz STFLVTRHQJCBEM-UHFFFAOYSA-N -1 3 369.465 3.023 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]Cc2ccc3c(c2)OCCCO3)sc1Cl ZINC000473851903 502725324 /nfs/dbraw/zinc/72/53/24/502725324.db2.gz DJINDMZAUULXTE-UHFFFAOYSA-N -1 3 373.883 3.350 20 0 FGADHM CCc1cc(=O)[n-]c(CSCC(=O)Nc2ccc(OC)c(Cl)c2)n1 ZINC000477355146 502752137 /nfs/dbraw/zinc/75/21/37/502752137.db2.gz PTGFKCOCEWPADE-UHFFFAOYSA-N -1 3 367.858 3.279 20 0 FGADHM CCCCc1nc2cc([N-]S(=O)(=O)c3ccc4c(c3)OCO4)ccc2[nH]1 ZINC000477357986 502753198 /nfs/dbraw/zinc/75/31/98/502753198.db2.gz HOGCLAMRXHOISO-UHFFFAOYSA-N -1 3 373.434 3.435 20 0 FGADHM CCCCc1nc2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCO4)cc2[nH]1 ZINC000477357986 502753202 /nfs/dbraw/zinc/75/32/02/502753202.db2.gz HOGCLAMRXHOISO-UHFFFAOYSA-N -1 3 373.434 3.435 20 0 FGADHM O=C(Cc1ccc(Br)cc1[O-])NCCCNc1ccccc1 ZINC000477386898 502760651 /nfs/dbraw/zinc/76/06/51/502760651.db2.gz 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/nfs/dbraw/zinc/80/33/30/502803330.db2.gz CKEYTIOIFNCGBE-GXSJLCMTSA-N -1 3 355.353 3.080 20 0 FGADHM C[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(Br)ccc2F)C1 ZINC000500599318 502823575 /nfs/dbraw/zinc/82/35/75/502823575.db2.gz HHIOSZGGHOXMQN-ONGXEEELSA-N -1 3 350.253 3.445 20 0 FGADHM CC(C)Oc1ncccc1CNC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000588783110 506336472 /nfs/dbraw/zinc/33/64/72/506336472.db2.gz FPWIFGVDGZERRH-UHFFFAOYSA-N -1 3 356.422 3.218 20 0 FGADHM O=S(=O)([N-]CCc1cccs1)c1cc(Br)ccc1F ZINC000500629237 502829390 /nfs/dbraw/zinc/82/93/90/502829390.db2.gz DAIIDTWPOHBQAK-UHFFFAOYSA-N -1 3 364.261 3.171 20 0 FGADHM O=C(NCc1ccc(-c2ccco2)cc1F)c1cc(F)cc2nn[n-]c21 ZINC000505084948 502849527 /nfs/dbraw/zinc/84/95/27/502849527.db2.gz HBLKXMLJPBKDJG-UHFFFAOYSA-N -1 3 354.316 3.426 20 0 FGADHM O=C(NCc1ccc(-c2ccco2)cc1F)c1cc(F)cc2[n-]nnc21 ZINC000505084948 502849532 /nfs/dbraw/zinc/84/95/32/502849532.db2.gz HBLKXMLJPBKDJG-UHFFFAOYSA-N -1 3 354.316 3.426 20 0 FGADHM O=C(NCc1ccc(-c2ccco2)cc1F)c1cc(F)cc2n[n-]nc21 ZINC000505084948 502849535 /nfs/dbraw/zinc/84/95/35/502849535.db2.gz HBLKXMLJPBKDJG-UHFFFAOYSA-N -1 3 354.316 3.426 20 0 FGADHM O=C(c1cc(F)cc2[n-]nnc21)N1CCn2c(cc3cc(Cl)ccc32)C1 ZINC000505090603 502850100 /nfs/dbraw/zinc/85/01/00/502850100.db2.gz IBAQNLCILUHKMH-UHFFFAOYSA-N -1 3 369.787 3.361 20 0 FGADHM O=C(c1cc(F)cc2nn[n-]c21)N1CCn2c(cc3cc(Cl)ccc32)C1 ZINC000505090603 502850102 /nfs/dbraw/zinc/85/01/02/502850102.db2.gz IBAQNLCILUHKMH-UHFFFAOYSA-N -1 3 369.787 3.361 20 0 FGADHM O=C(c1cc(F)cc2n[n-]nc21)N1CCn2c(cc3cc(Cl)ccc32)C1 ZINC000505090603 502850105 /nfs/dbraw/zinc/85/01/05/502850105.db2.gz IBAQNLCILUHKMH-UHFFFAOYSA-N -1 3 369.787 3.361 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-][C@](C)(c2ccc(F)cc2)C(F)(F)F)cn1 ZINC000509221476 502853605 /nfs/dbraw/zinc/85/36/05/502853605.db2.gz AZPCOKZZYNSNDU-CQSZACIVSA-N -1 3 362.348 3.285 20 0 FGADHM CCc1c(NC(=O)c2cc(F)cc3[n-]nnc32)cnn1-c1ccccc1 ZINC000505131912 502856352 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FGADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)c2ccc3nccn3c2)[nH][n-]1 ZINC000517615266 503786233 /nfs/dbraw/zinc/78/62/33/503786233.db2.gz XLWRESYYWNUNCO-UHFFFAOYSA-N -1 3 367.796 3.061 20 0 FGADHM CO[C@H](c1ccccc1F)[C@H](C)[N-]S(=O)(=O)c1ccc(C)cc1F ZINC000540486480 503787164 /nfs/dbraw/zinc/78/71/64/503787164.db2.gz PWNKXRGMKIAZQH-SJCJKPOMSA-N -1 3 355.406 3.328 20 0 FGADHM O=S(=O)([N-]Cc1cc2ccccc2o1)c1cnccc1C(F)(F)F ZINC000527485881 503806930 /nfs/dbraw/zinc/80/69/30/503806930.db2.gz KYHZAWJXOSPDTL-UHFFFAOYSA-N -1 3 356.325 3.325 20 0 FGADHM C[C@@H]1CCN(C(=O)C[C@@H](NC(N)=O)c2ccccc2)c2c([O-])cccc21 ZINC000546660219 503828966 /nfs/dbraw/zinc/82/89/66/503828966.db2.gz VEOOJLWQRWIRMG-CZUORRHYSA-N -1 3 353.422 3.032 20 0 FGADHM O=S(=O)([N-]CC[C@H](O)C(F)(F)F)c1csc2ccc(Cl)cc21 ZINC000543631194 503835908 /nfs/dbraw/zinc/83/59/08/503835908.db2.gz GSXBWSJPLBDNFK-NSHDSACASA-N -1 3 373.805 3.146 20 0 FGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](c2ccc(C)cc2)C2CC2)s1 ZINC000517784947 503837240 /nfs/dbraw/zinc/83/72/40/503837240.db2.gz DTJJEQBZTSAIIW-INIZCTEOSA-N -1 3 365.476 3.273 20 0 FGADHM COCc1cccc([N-]S(=O)(=O)C[C@@H](OC)c2ccc(F)cc2)c1 ZINC000530133483 503848509 /nfs/dbraw/zinc/84/85/09/503848509.db2.gz FLVFNKJQLLTYFX-QGZVFWFLSA-N -1 3 353.415 3.102 20 0 FGADHM COc1cc2c(cc1F)[n-]cc(C(=O)N1CCC3(C1)CCCCC3)c2=O ZINC000537228867 503850110 /nfs/dbraw/zinc/85/01/10/503850110.db2.gz DMQCSFJGPAFIEB-UHFFFAOYSA-N -1 3 358.413 3.472 20 0 FGADHM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1CC(=O)Nc1ccc(Cl)c(F)c1 ZINC000530206901 503875823 /nfs/dbraw/zinc/87/58/23/503875823.db2.gz HFOPPRMYNWMRPO-LKTVYLICSA-N -1 3 354.809 3.135 20 0 FGADHM O=c1[n-]cnc2c1CN(c1ccnc3cc(Br)ccc31)CC2 ZINC000518023426 503891436 /nfs/dbraw/zinc/89/14/36/503891436.db2.gz RVTLTQSNZPTJED-UHFFFAOYSA-N -1 3 357.211 3.056 20 0 FGADHM Cc1nc(C)c(CCC(=O)NC(C)(C)c2nc3ccccc3s2)c(=O)[n-]1 ZINC000530265131 503902881 /nfs/dbraw/zinc/90/28/81/503902881.db2.gz LBCXDODTDZOLBZ-UHFFFAOYSA-N -1 3 370.478 3.393 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCCOc3cc(F)ccc32)c(F)c1 ZINC000537434910 503914870 /nfs/dbraw/zinc/91/48/70/503914870.db2.gz QGTFMERZQOYZBB-HNNXBMFYSA-N -1 3 353.390 3.465 20 0 FGADHM Cc1cccc(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)c1[O-] ZINC000530297489 503915154 /nfs/dbraw/zinc/91/51/54/503915154.db2.gz CTAZKUFGFJTJBL-UHFFFAOYSA-N -1 3 365.355 3.077 20 0 FGADHM O=C(NCc1ncccc1F)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000530309637 503920000 /nfs/dbraw/zinc/92/00/00/503920000.db2.gz YODMUYRRAWLUCF-UHFFFAOYSA-N -1 3 350.349 3.087 20 0 FGADHM O=S(=O)([N-]CCc1cnc(C2CC2)nc1)c1cc(Cl)ccc1Cl ZINC000533692965 503924647 /nfs/dbraw/zinc/92/46/47/503924647.db2.gz JKXMACDDKWILQH-UHFFFAOYSA-N -1 3 372.277 3.182 20 0 FGADHM O=S(=O)(Cc1ccc(F)cc1F)[N-]Cc1nc(C(F)(F)F)cs1 ZINC000540939305 503946447 /nfs/dbraw/zinc/94/64/47/503946447.db2.gz HPNJAEXJECADTJ-UHFFFAOYSA-N -1 3 372.340 3.060 20 0 FGADHM Cc1ccc(-c2csc3ncnc(N(C)C[C@H](C)c4nnn[n-]4)c23)cc1 ZINC000543962398 503953500 /nfs/dbraw/zinc/95/35/00/503953500.db2.gz KFWQUOLKKOTRON-LBPRGKRZSA-N -1 3 365.466 3.420 20 0 FGADHM Cc1ccc(-c2csc3ncnc(N(C)C[C@H](C)c4nn[n-]n4)c23)cc1 ZINC000543962398 503953504 /nfs/dbraw/zinc/95/35/04/503953504.db2.gz KFWQUOLKKOTRON-LBPRGKRZSA-N -1 3 365.466 3.420 20 0 FGADHM CCc1nc([N-]C(=O)c2csc(C(F)(F)F)n2)sc1C(=O)OC ZINC000530437739 503964000 /nfs/dbraw/zinc/96/40/00/503964000.db2.gz BVQWQAAEHZOXJC-UHFFFAOYSA-N -1 3 365.358 3.220 20 0 FGADHM C[C@]12CC3CC(C(=O)NCc4ccc(-c5nnn[n-]5)cc4)(C1)C[C@@](C)(C3)C2 ZINC000518415612 503978567 /nfs/dbraw/zinc/97/85/67/503978567.db2.gz IVXPOBHXJNJSSN-LVBDODCMSA-N -1 3 365.481 3.480 20 0 FGADHM C[C@]12CC3CC(C(=O)NCc4ccc(-c5nn[n-]n5)cc4)(C1)C[C@@](C)(C3)C2 ZINC000518415612 503978573 /nfs/dbraw/zinc/97/85/73/503978573.db2.gz IVXPOBHXJNJSSN-LVBDODCMSA-N -1 3 365.481 3.480 20 0 FGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2c3ccccc3C[C@H]2O)c1Cl ZINC000533883878 503979837 /nfs/dbraw/zinc/97/98/37/503979837.db2.gz FHIYWVBIKXHJDO-UKRRQHHQSA-N -1 3 372.273 3.238 20 0 FGADHM CCOC(=O)c1ccc(C)c(S(=O)(=O)[N-][C@@](C)(CC)C(F)(F)F)c1 ZINC000530493224 503985180 /nfs/dbraw/zinc/98/51/80/503985180.db2.gz XOCXCNBYYOAFNI-AWEZNQCLSA-N -1 3 367.389 3.181 20 0 FGADHM O=C(Nc1ccc(N2CCOCC2)cn1)c1cc2cc(Cl)sc2[n-]1 ZINC000518451457 503990030 /nfs/dbraw/zinc/99/00/30/503990030.db2.gz KCSUMPPDCNXFKF-UHFFFAOYSA-N -1 3 362.842 3.367 20 0 FGADHM Cc1ncc(CNC(=O)N[C@H](c2ccc(Cl)cc2)C2CCC2)c(=O)[n-]1 ZINC000544116070 504013120 /nfs/dbraw/zinc/01/31/20/504013120.db2.gz DNYCZAVUQLQZAZ-INIZCTEOSA-N -1 3 360.845 3.485 20 0 FGADHM C[C@](O)(Cc1ccccc1)C(=O)Nc1ccc(Br)cc1[O-] ZINC000530572590 504014436 /nfs/dbraw/zinc/01/44/36/504014436.db2.gz AZZKPFJHGHKWSK-INIZCTEOSA-N -1 3 350.212 3.087 20 0 FGADHM CC[C@@H](C)[C@H]([N-]S(C)(=O)=O)C(=O)Nc1ccc2oc3ccccc3c2c1 ZINC000530575157 504015128 /nfs/dbraw/zinc/01/51/28/504015128.db2.gz HOCSDPJEOIMMLI-XIKOKIGWSA-N -1 3 374.462 3.488 20 0 FGADHM O=c1nc(CN2CCOCC23CC3)[n-]c2scc(-c3ccccc3)c21 ZINC000518570322 504019392 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CC(=O)c1cccc(NC(=O)COc2cccc(Br)c2)c1[O-] ZINC000584313087 507272524 /nfs/dbraw/zinc/27/25/24/507272524.db2.gz CYQXXRMABFHWKK-UHFFFAOYSA-N -1 3 364.195 3.375 20 0 FGADHM CC(C)([N-]S(=O)(=O)c1ccc(Cl)cc1F)C(=O)Nc1ccccc1 ZINC000594775044 507276692 /nfs/dbraw/zinc/27/66/92/507276692.db2.gz MNVIYZXAONRGED-UHFFFAOYSA-N -1 3 370.833 3.175 20 0 FGADHM Cc1cc(C)cc(-c2cc(=NC(=O)c3cccc([S@@](C)=O)c3)[nH][n-]2)c1 ZINC000613851524 507280992 /nfs/dbraw/zinc/28/09/92/507280992.db2.gz XVXCYRVJLAUCJS-RUZDIDTESA-N -1 3 353.447 3.105 20 0 FGADHM CCCc1ccc(-c2cc(=NC(=O)c3cccc(-n4cccn4)n3)[nH][n-]2)cc1 ZINC000605875521 507289141 /nfs/dbraw/zinc/28/91/41/507289141.db2.gz AGIGYOPEFVLNFT-UHFFFAOYSA-N -1 3 372.432 3.284 20 0 FGADHM COC(=O)c1c(C)nc(=O)[n-]c1SCc1cccc(F)c1OC(F)F ZINC000594881586 507302791 /nfs/dbraw/zinc/30/27/91/507302791.db2.gz KMLLAPJTCWXXRA-UHFFFAOYSA-N -1 3 374.340 3.310 20 0 FGADHM O=C([O-])[C@H](CC(=O)NC[C@@H]1CCCN1Cc1ccccc1)c1ccccc1 ZINC000606148639 507336183 /nfs/dbraw/zinc/33/61/83/507336183.db2.gz ASRKMIHSLFHBIV-VQTJNVASSA-N -1 3 366.461 3.026 20 0 FGADHM CCOC(=O)c1ccc(NC(=O)c2c(OC)cnc3ccccc32)c([O-])c1 ZINC000584482123 507369053 /nfs/dbraw/zinc/36/90/53/507369053.db2.gz GJQRESDJWVPCBC-UHFFFAOYSA-N -1 3 366.373 3.378 20 0 FGADHM CSc1ccc([O-])c(C(=O)N2CCC[C@@H](Oc3ncccc3F)C2)c1 ZINC000614120626 507376363 /nfs/dbraw/zinc/37/63/63/507376363.db2.gz XPJUMBYTTLCOIV-GFCCVEGCSA-N -1 3 362.426 3.332 20 0 FGADHM COC(=O)C(C)(C)[C@H]([N-]S(=O)(=O)c1ccc(C)s1)c1ccccc1 ZINC000610802306 507395681 /nfs/dbraw/zinc/39/56/81/507395681.db2.gz OUHVWNMVOGDVOH-OAHLLOKOSA-N -1 3 367.492 3.275 20 0 FGADHM COc1ccc([C@H](CNc2ncccc2C(=O)[O-])N2CCCCC2)cc1 ZINC000614259314 507432519 /nfs/dbraw/zinc/43/25/19/507432519.db2.gz ASQYMTUGVMRPOF-SFHVURJKSA-N -1 3 355.438 3.428 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)c2cc(=O)[nH]c3ccc(F)cc32)c1-c1ccccc1 ZINC000606531632 507436958 /nfs/dbraw/zinc/43/69/58/507436958.db2.gz LALOVZIXWVDCSK-UHFFFAOYSA-N -1 3 362.364 3.452 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)c1ccc(Cl)c(N2CCCC2=O)c1 ZINC000606537207 507437641 /nfs/dbraw/zinc/43/76/41/507437641.db2.gz AFVGTDPHNQSZGK-UHFFFAOYSA-N -1 3 362.788 3.242 20 0 FGADHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2Cl)[C@@H]1SC ZINC000592098977 507483577 /nfs/dbraw/zinc/48/35/77/507483577.db2.gz PGKBRHMXCYHRIR-UTUOFQBUSA-N -1 3 370.323 3.181 20 0 FGADHM CCNC(=O)c1cc([N-]C(=O)c2cc(CSCC)on2)c(C)s1 ZINC000601877078 507497192 /nfs/dbraw/zinc/49/71/92/507497192.db2.gz PBAWWRJOUVVNRD-UHFFFAOYSA-N -1 3 353.469 3.300 20 0 FGADHM Cc1ccc([N-]S(=O)(=O)c2cc(C)ccc2F)c(OCCN(C)C)c1 ZINC000606755356 507497479 /nfs/dbraw/zinc/49/74/79/507497479.db2.gz YQGUGSDSZSYLQI-UHFFFAOYSA-N -1 3 366.458 3.184 20 0 FGADHM COc1nnc(NC(=O)c2cnn(C3CCCC3)c2-c2ccccc2)[n-]1 ZINC000584774244 507497616 /nfs/dbraw/zinc/49/76/16/507497616.db2.gz NGFCIMZHMWWZCF-UHFFFAOYSA-N -1 3 352.398 3.044 20 0 FGADHM COc1nc(NC(=O)c2cnn(C3CCCC3)c2-c2ccccc2)n[n-]1 ZINC000584774244 507497625 /nfs/dbraw/zinc/49/76/25/507497625.db2.gz NGFCIMZHMWWZCF-UHFFFAOYSA-N -1 3 352.398 3.044 20 0 FGADHM COc1n[n-]c(NC(=O)c2cnn(C3CCCC3)c2-c2ccccc2)n1 ZINC000584774244 507497631 /nfs/dbraw/zinc/49/76/31/507497631.db2.gz NGFCIMZHMWWZCF-UHFFFAOYSA-N -1 3 352.398 3.044 20 0 FGADHM Cc1c(C(=O)[O-])sc2ncnc(N3CCN(CCC(C)(C)C)CC3)c12 ZINC000584782805 507502975 /nfs/dbraw/zinc/50/29/75/507502975.db2.gz COXIMBHEJBQGPI-UHFFFAOYSA-N -1 3 362.499 3.256 20 0 FGADHM COC(=O)c1cc(CN[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)n2c1CCCC2 ZINC000598585244 507507269 /nfs/dbraw/zinc/50/72/69/507507269.db2.gz ASCAAMLQBQUAMO-FUHWJXTLSA-N -1 3 368.433 3.014 20 0 FGADHM O=C(Nc1ccc(Br)cc1[O-])c1cccc2c1CC(=O)CC2 ZINC000584831910 507530871 /nfs/dbraw/zinc/53/08/71/507530871.db2.gz QEGXWANGOAJWAG-UHFFFAOYSA-N -1 3 360.207 3.465 20 0 FGADHM Cc1ccc(CC(=O)Nc2cc(I)ccc2[O-])o1 ZINC000611156511 507538090 /nfs/dbraw/zinc/53/80/90/507538090.db2.gz KPGNVGPWDDHOIF-UHFFFAOYSA-N -1 3 357.147 3.079 20 0 FGADHM CSc1ccc([O-])c(C(=O)N(C)CC(=O)N(C)[C@H](C)c2ccccc2)c1 ZINC000614499087 507543952 /nfs/dbraw/zinc/54/39/52/507543952.db2.gz UQDGWIVFHXEKLN-CQSZACIVSA-N -1 3 372.490 3.406 20 0 FGADHM COC(=O)c1ccc2c(c1)CN(Cc1cc([O-])ccc1Br)C2 ZINC000611270657 507593834 /nfs/dbraw/zinc/59/38/34/507593834.db2.gz LHMMXUCITIPIRA-UHFFFAOYSA-N -1 3 362.223 3.457 20 0 FGADHM COC(=O)C1(NC(=O)c2cc([O-])cc(C(F)(F)F)c2)CCCCCC1 ZINC000598784729 507600758 /nfs/dbraw/zinc/60/07/58/507600758.db2.gz XPQOMBXULDWEOR-UHFFFAOYSA-N -1 3 359.344 3.407 20 0 FGADHM CCOC[C@H](C(=O)OC)N(C)C(=O)c1cc(C(C)C)cc(C(C)C)c1[O-] ZINC000611282466 507604793 /nfs/dbraw/zinc/60/47/93/507604793.db2.gz MJVOOIBGRJETOT-QGZVFWFLSA-N -1 3 365.470 3.289 20 0 FGADHM CN(C)[C@H](CNC(=O)c1cccc(Br)c1[O-])c1ccccc1 ZINC000592447738 507659317 /nfs/dbraw/zinc/65/93/17/507659317.db2.gz QQFKIBRXEXOHHG-OAHLLOKOSA-N -1 3 363.255 3.187 20 0 FGADHM C[C@@H](NC(=O)c1ccc(C(F)F)cc1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000614821653 507665345 /nfs/dbraw/zinc/66/53/45/507665345.db2.gz IXWZQWYHSGPPGB-WDEREUQCSA-N -1 3 363.364 3.118 20 0 FGADHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)C1CCC(C2CC2)CC1 ZINC000614821047 507666065 /nfs/dbraw/zinc/66/60/65/507666065.db2.gz DYLIJITVYXCJDA-SQHUISNBSA-N -1 3 359.470 3.083 20 0 FGADHM Cc1nc(C(C)C)ccc1C(=O)N[C@H](C)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000614827173 507667785 /nfs/dbraw/zinc/66/77/85/507667785.db2.gz YXHNWJKDHMUOAN-QWHCGFSZSA-N -1 3 370.453 3.007 20 0 FGADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(Cn3cccn3)cc2)cc1C ZINC000614840689 507671705 /nfs/dbraw/zinc/67/17/05/507671705.db2.gz RIDSNRGTWCYBEN-UHFFFAOYSA-N -1 3 371.462 3.439 20 0 FGADHM CSc1ccc([O-])c(C(=O)N(C)CCCN(C)Cc2ccncc2)c1 ZINC000614930371 507696282 /nfs/dbraw/zinc/69/62/82/507696282.db2.gz XNSWWZABSSNNDB-UHFFFAOYSA-N -1 3 359.495 3.103 20 0 FGADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]C[C@H](C)c2cccc(C)c2)c(F)c1 ZINC000607363933 507703602 /nfs/dbraw/zinc/70/36/02/507703602.db2.gz ZSLPNRIRPOFXFL-ZDUSSCGKSA-N -1 3 364.442 3.175 20 0 FGADHM CC(C)(C)OC(=O)[C@](C)(NCc1cc(=O)[n-]c(C2CC2)n1)c1ccccc1 ZINC000595882366 507726674 /nfs/dbraw/zinc/72/66/74/507726674.db2.gz IFYNOMBKRRHJNV-OAQYLSRUSA-N -1 3 369.465 3.406 20 0 FGADHM COC(=O)c1cc(Cl)cc(NC(=O)c2c[nH]nc2-c2ccoc2)c1[O-] ZINC000588095696 507759652 /nfs/dbraw/zinc/75/96/52/507759652.db2.gz CVRCLMFPFJEUHO-UHFFFAOYSA-N -1 3 361.741 3.068 20 0 FGADHM C[C@H]1CCn2ncc(C(=O)Nc3nnc(-c4ccc5ccccc5n4)[n-]3)c2C1 ZINC000615123256 507760967 /nfs/dbraw/zinc/76/09/67/507760967.db2.gz MNSYSCWMLRZIKF-LBPRGKRZSA-N -1 3 373.420 3.051 20 0 FGADHM C[C@H]1CCn2ncc(C(=O)Nc3nc(-c4ccc5ccccc5n4)n[n-]3)c2C1 ZINC000615123256 507760971 /nfs/dbraw/zinc/76/09/71/507760971.db2.gz MNSYSCWMLRZIKF-LBPRGKRZSA-N -1 3 373.420 3.051 20 0 FGADHM C[C@H]1CCn2ncc(C(=O)Nc3n[n-]c(-c4ccc5ccccc5n4)n3)c2C1 ZINC000615123256 507760974 /nfs/dbraw/zinc/76/09/74/507760974.db2.gz MNSYSCWMLRZIKF-LBPRGKRZSA-N -1 3 373.420 3.051 20 0 FGADHM COC(=O)c1cc(Cl)cc(NC(=O)CSC[C@H]2CCCCO2)c1[O-] ZINC000588099969 507763135 /nfs/dbraw/zinc/76/31/35/507763135.db2.gz IJRDIZJBJNOJTM-LLVKDONJSA-N -1 3 373.858 3.073 20 0 FGADHM COc1cc(F)c([N-]S(=O)(=O)c2ccc3ncccc3c2)cc1OC ZINC000607615800 507776831 /nfs/dbraw/zinc/77/68/31/507776831.db2.gz ZXMUCFKDPBIMFF-UHFFFAOYSA-N -1 3 362.382 3.192 20 0 FGADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)[C@@H]1C[C@H]1C1CCCCC1 ZINC000607650514 507784137 /nfs/dbraw/zinc/78/41/37/507784137.db2.gz JOQZSRUUMXTMDR-RBUKOAKNSA-N -1 3 370.493 3.329 20 0 FGADHM CC(=C([O-])Nc1ccn(-c2ncccc2C(F)(F)F)n1)C(F)(F)F ZINC000489276897 514780071 /nfs/dbraw/zinc/78/00/71/514780071.db2.gz KMAMPTSPHKKZMT-SSDOTTSWSA-N -1 3 352.238 3.423 20 0 FGADHM CCC(C)(C)N[C@H](C)C(=O)N=c1[nH][n-]c(C)c1-c1ccc2c(c1)OCCO2 ZINC000485521672 515071852 /nfs/dbraw/zinc/07/18/52/515071852.db2.gz VSPSYMNYUSMETK-CYBMUJFWSA-N -1 3 372.469 3.262 20 0 FGADHM CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)N=c1cc(OC(F)F)n(C)[n-]1 ZINC000491078084 515373415 /nfs/dbraw/zinc/37/34/15/515373415.db2.gz HBNYBOWWCZYQGO-JHJVBQTASA-N -1 3 359.417 3.437 20 0 FGADHM Cc1cn([C@@H](C)c2ccccc2)[nH]c1=NC(=O)c1cc(F)cc2[n-]nnc21 ZINC000505136341 515455408 /nfs/dbraw/zinc/45/54/08/515455408.db2.gz ZFPBQBDQIHRTCL-LBPRGKRZSA-N -1 3 364.384 3.464 20 0 FGADHM Cc1cn([C@@H](C)c2ccccc2)[nH]c1=NC(=O)c1cc(F)cc2nn[n-]c21 ZINC000505136341 515455415 /nfs/dbraw/zinc/45/54/15/515455415.db2.gz ZFPBQBDQIHRTCL-LBPRGKRZSA-N -1 3 364.384 3.464 20 0 FGADHM Cc1cn([C@@H](C)c2ccccc2)[nH]c1=NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000505136341 515455426 /nfs/dbraw/zinc/45/54/26/515455426.db2.gz ZFPBQBDQIHRTCL-LBPRGKRZSA-N -1 3 364.384 3.464 20 0 FGADHM CCSCc1cccc(NC(=O)C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)c1 ZINC000472957434 515457711 /nfs/dbraw/zinc/45/77/11/515457711.db2.gz GIGSXGRGISHQTE-HNNXBMFYSA-N -1 3 374.466 3.092 20 0 FGADHM Cc1cc(C(=O)NCCCNc2ccc(C(F)(F)F)cn2)ccc1[O-] ZINC000499806729 515462812 /nfs/dbraw/zinc/46/28/12/515462812.db2.gz IXMVVLDCZHVIIX-UHFFFAOYSA-N -1 3 353.344 3.346 20 0 FGADHM CC(C)Sc1ccccc1NC(=O)C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000472979454 515465849 /nfs/dbraw/zinc/46/58/49/515465849.db2.gz QXVWGERUAIWZPI-AWEZNQCLSA-N -1 3 374.466 3.339 20 0 FGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)NC[C@H]1CCCS1 ZINC000482084983 515570561 /nfs/dbraw/zinc/57/05/61/515570561.db2.gz QMYGRXFNXNHXOU-LLVKDONJSA-N -1 3 355.261 3.114 20 0 FGADHM Cc1ccccc1[C@H]([C@H](C)NC(=O)c1csc(=NC2CC2)[n-]1)N(C)C ZINC000510541445 515577382 /nfs/dbraw/zinc/57/73/82/515577382.db2.gz RYRWSFAHQCDLNX-GUYCJALGSA-N -1 3 358.511 3.447 20 0 FGADHM Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1csc(=NC2CC2)[n-]1)N(C)C ZINC000510541444 515577438 /nfs/dbraw/zinc/57/74/38/515577438.db2.gz RYRWSFAHQCDLNX-DYVFJYSZSA-N -1 3 358.511 3.447 20 0 FGADHM C[C@H]1CCSCCN1C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482107949 515577756 /nfs/dbraw/zinc/57/77/56/515577756.db2.gz WYXWIPSHCZEFGJ-JTQLQIEISA-N -1 3 369.288 3.456 20 0 FGADHM Cc1ncsc1CNC(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482170424 515595124 /nfs/dbraw/zinc/59/51/24/515595124.db2.gz QMZKXAINKICDLS-UHFFFAOYSA-N -1 3 366.244 3.183 20 0 FGADHM CCCC[C@@H](COC)NC(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482206913 515607728 /nfs/dbraw/zinc/60/77/28/515607728.db2.gz GMTSOQTVAXSDQB-LBPRGKRZSA-N -1 3 369.263 3.424 20 0 FGADHM Cc1ccc(F)cc1-c1n[n-]c(=NC(=O)N2CCN(C)CC[C@H]2C)s1 ZINC000500179039 515617433 /nfs/dbraw/zinc/61/74/33/515617433.db2.gz VPYGQMXCAHIAGW-GFCCVEGCSA-N -1 3 363.462 3.211 20 0 FGADHM O=C(CCCOc1ccc(F)cc1F)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000473850213 515775869 /nfs/dbraw/zinc/77/58/69/515775869.db2.gz NHSTWEVDFNJUKJ-HNNXBMFYSA-N -1 3 351.353 3.337 20 0 FGADHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)c1cccc(NC(=O)c2ccco2)c1 ZINC000473855745 515778454 /nfs/dbraw/zinc/77/84/54/515778454.db2.gz JQDWOSAQKMWURS-OAHLLOKOSA-N -1 3 366.377 3.359 20 0 FGADHM Cc1nc(C(=O)N=c2cc3ccc(Br)cn3[n-]2)c(C)s1 ZINC000511307355 515858475 /nfs/dbraw/zinc/85/84/75/515858475.db2.gz QXNGFDFTHGWOSP-UHFFFAOYSA-N -1 3 351.229 3.422 20 0 FGADHM CCCc1n[n-]c(=NC(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)s1 ZINC000474543093 516088366 /nfs/dbraw/zinc/08/83/66/516088366.db2.gz ROXYNKXVBKKMJL-OAHLLOKOSA-N -1 3 359.499 3.229 20 0 FGADHM Cc1cc(C)cc(-c2cc(=NC(=O)c3cccc(S(C)(=O)=O)c3)[nH][n-]2)c1 ZINC000512530446 516301120 /nfs/dbraw/zinc/30/11/20/516301120.db2.gz JSGURWFJEFLGNO-UHFFFAOYSA-N -1 3 369.446 3.349 20 0 FGADHM Cc1cc(C)cc(-c2cc(=NC(=O)c3ccc4c(c3)C(=O)N(C)C4=O)[nH][n-]2)c1 ZINC000512545109 516302737 /nfs/dbraw/zinc/30/27/37/516302737.db2.gz LVAPOUCBOLAMQG-UHFFFAOYSA-N -1 3 374.400 3.172 20 0 FGADHM COc1cc(=NC(=O)N2C[C@@H](c3cccc(OC)c3)C(C)(C)C2)[n-]n1C ZINC000529071856 516902169 /nfs/dbraw/zinc/90/21/69/516902169.db2.gz VKDPLGNXCPNUHL-HNNXBMFYSA-N -1 3 358.442 3.095 20 0 FGADHM CCc1ncncc1C(=O)N=c1cc(-c2cc(Cl)ccc2OC)[n-][nH]1 ZINC000525239446 516974812 /nfs/dbraw/zinc/97/48/12/516974812.db2.gz KQCALFHNJYKOHL-UHFFFAOYSA-N -1 3 357.801 3.343 20 0 FGADHM CN(C)[C@]1(CN=c2[n-]nc(Cc3ccc(F)cc3)s2)CCSC1 ZINC000541577958 517121414 /nfs/dbraw/zinc/12/14/14/517121414.db2.gz MVJZGAACRQQTOT-INIZCTEOSA-N -1 3 352.504 3.117 20 0 FGADHM Cc1ccccc1-c1cc(=NC(=O)[C@H](C)n2nnc(-c3ccccc3)n2)[nH][n-]1 ZINC000525752233 517148567 /nfs/dbraw/zinc/14/85/67/517148567.db2.gz VKPIKQLFHRDHRJ-AWEZNQCLSA-N -1 3 373.420 3.238 20 0 FGADHM Cc1cc(C)cc(-c2cc(=NC(=O)[C@@H](C)n3nnnc3C(C)(C)C)[nH][n-]2)c1 ZINC000537588220 517246128 /nfs/dbraw/zinc/24/61/28/517246128.db2.gz ZLEPKZMPUCHXHE-CYBMUJFWSA-N -1 3 367.457 3.177 20 0 FGADHM COc1cc(=NC(=O)c2ccc(Br)c3cc(C)oc32)[n-]n1C ZINC000525954911 517253242 /nfs/dbraw/zinc/25/32/42/517253242.db2.gz HIWUAHKMSZJPFJ-UHFFFAOYSA-N -1 3 364.199 3.498 20 0 FGADHM CC(=O)Nc1ccc(S[C@@H](C)C(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)cc1 ZINC000525966895 517261258 /nfs/dbraw/zinc/26/12/58/517261258.db2.gz BPXJVTSXPQWJHM-MEDUHNTESA-N -1 3 374.466 3.339 20 0 FGADHM C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N=c2ccc(C3CC3)n[n-]2)C1 ZINC000533442690 517465851 /nfs/dbraw/zinc/46/58/51/517465851.db2.gz ANRPMJQFAHSHTN-RHSMWYFYSA-N -1 3 351.454 3.311 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)c2cn(CCC(C)C)nn2)c1-c1ccccc1F ZINC000530276853 517674307 /nfs/dbraw/zinc/67/43/07/517674307.db2.gz WGQQUOQHWNLPTB-UHFFFAOYSA-N -1 3 356.405 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BULDQRLWNXDPLH-DHZHZOJOSA-N -1 3 367.840 3.234 20 0 FGADHM CC[C@@H](OC(=O)COc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1F ZINC000736382695 598823277 /nfs/dbraw/zinc/82/32/77/598823277.db2.gz NNFXHHHWTJOABD-MRXNPFEDSA-N -1 3 374.347 3.218 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1OCC(=O)N(C1CC1)C1CCC(C)CC1 ZINC000737222197 598832033 /nfs/dbraw/zinc/83/20/33/598832033.db2.gz UWCJOPITLBNZOU-UHFFFAOYSA-N -1 3 369.469 3.124 20 0 FGADHM O=C(O[C@H]1C=CCCC1)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000738212096 598845506 /nfs/dbraw/zinc/84/55/06/598845506.db2.gz CGVHDDMXCPYLEA-HNNXBMFYSA-N -1 3 363.377 3.320 20 0 FGADHM O=C(O[C@H]1C=CCCC1)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000738212096 598845507 /nfs/dbraw/zinc/84/55/07/598845507.db2.gz CGVHDDMXCPYLEA-HNNXBMFYSA-N -1 3 363.377 3.320 20 0 FGADHM COC(=O)[C@@H](NCc1cccc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000736898041 598883400 /nfs/dbraw/zinc/88/34/00/598883400.db2.gz OFAXRSRNUJXJMU-IBGZPJMESA-N -1 3 373.416 3.024 20 0 FGADHM COC(=O)[C@@H](NCc1cccc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000736898041 598883401 /nfs/dbraw/zinc/88/34/01/598883401.db2.gz OFAXRSRNUJXJMU-IBGZPJMESA-N -1 3 373.416 3.024 20 0 FGADHM CC(C)c1csc([C@@H]2CCCN(c3ncccc3-c3nnn[n-]3)C2)n1 ZINC000735938654 599295532 /nfs/dbraw/zinc/29/55/32/599295532.db2.gz CQOFBSQOXZTSGM-GFCCVEGCSA-N -1 3 355.471 3.226 20 0 FGADHM CC(C)c1csc([C@@H]2CCCN(c3ncccc3-c3nn[n-]n3)C2)n1 ZINC000735938654 599295536 /nfs/dbraw/zinc/29/55/36/599295536.db2.gz CQOFBSQOXZTSGM-GFCCVEGCSA-N -1 3 355.471 3.226 20 0 FGADHM CC(=CC(=O)O[C@H](C)COc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000735446876 598888665 /nfs/dbraw/zinc/88/86/65/598888665.db2.gz HEZLWJDKEGLNGY-QKXCFHHRSA-N -1 3 364.405 3.281 20 0 FGADHM CC(=CC(=O)O[C@H](C)COc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000735446876 598888666 /nfs/dbraw/zinc/88/86/66/598888666.db2.gz HEZLWJDKEGLNGY-QKXCFHHRSA-N -1 3 364.405 3.281 20 0 FGADHM CC[C@@H](c1ccncc1)N(CC)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736394190 598889160 /nfs/dbraw/zinc/88/91/60/598889160.db2.gz BCNRCXIBNFQSRH-INIZCTEOSA-N -1 3 351.414 3.267 20 0 FGADHM CC[C@@H](c1ccncc1)N(CC)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736394190 598889162 /nfs/dbraw/zinc/88/91/62/598889162.db2.gz BCNRCXIBNFQSRH-INIZCTEOSA-N -1 3 351.414 3.267 20 0 FGADHM CC(C)(CNC(=S)Nc1ccccc1-c1nnn[n-]1)c1cccs1 ZINC000735670356 598901550 /nfs/dbraw/zinc/90/15/50/598901550.db2.gz OBLAFEVICXRBGX-UHFFFAOYSA-N -1 3 358.496 3.192 20 0 FGADHM CC(C)(CNC(=S)Nc1ccccc1-c1nn[n-]n1)c1cccs1 ZINC000735670356 598901552 /nfs/dbraw/zinc/90/15/52/598901552.db2.gz OBLAFEVICXRBGX-UHFFFAOYSA-N -1 3 358.496 3.192 20 0 FGADHM CC[C@](C)(NC(=O)Nc1cc(-c2nnn[n-]2)ccc1C)c1nccs1 ZINC000736316005 598904340 /nfs/dbraw/zinc/90/43/40/598904340.db2.gz UBHGKADBLWUXPA-INIZCTEOSA-N -1 3 357.443 3.079 20 0 FGADHM CC[C@](C)(NC(=O)Nc1cc(-c2nn[n-]n2)ccc1C)c1nccs1 ZINC000736316005 598904341 /nfs/dbraw/zinc/90/43/41/598904341.db2.gz UBHGKADBLWUXPA-INIZCTEOSA-N -1 3 357.443 3.079 20 0 FGADHM O=C(Nc1sc(-c2ccccc2)cc1-c1nnn[n-]1)c1ccc(F)nc1 ZINC000738209675 598905434 /nfs/dbraw/zinc/90/54/34/598905434.db2.gz QRXYLAJWWHCCNS-UHFFFAOYSA-N -1 3 366.381 3.382 20 0 FGADHM O=C(Nc1sc(-c2ccccc2)cc1-c1nn[n-]n1)c1ccc(F)nc1 ZINC000738209675 598905435 /nfs/dbraw/zinc/90/54/35/598905435.db2.gz QRXYLAJWWHCCNS-UHFFFAOYSA-N -1 3 366.381 3.382 20 0 FGADHM Cc1cc(OC(F)F)c(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)s1 ZINC000737278946 598906050 /nfs/dbraw/zinc/90/60/50/598906050.db2.gz MBGYSTFZEAOERD-UHFFFAOYSA-N -1 3 369.328 3.229 20 0 FGADHM Cc1cc(OC(F)F)c(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)s1 ZINC000737278946 598906052 /nfs/dbraw/zinc/90/60/52/598906052.db2.gz MBGYSTFZEAOERD-UHFFFAOYSA-N -1 3 369.328 3.229 20 0 FGADHM CC(C)C[C@H]1CCCCCN1C(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC000735796089 598952531 /nfs/dbraw/zinc/95/25/31/598952531.db2.gz SXSPAFAOHGLOSV-QGZVFWFLSA-N -1 3 356.474 3.096 20 0 FGADHM Cc1ccccc1C[C@H]1CCCN1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000737427561 598963620 /nfs/dbraw/zinc/96/36/20/598963620.db2.gz SMWFZAMZFRXRDA-GOSISDBHSA-N -1 3 362.437 3.414 20 0 FGADHM Cc1ccccc1C[C@H]1CCCN1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000737427561 598963621 /nfs/dbraw/zinc/96/36/21/598963621.db2.gz SMWFZAMZFRXRDA-GOSISDBHSA-N -1 3 362.437 3.414 20 0 FGADHM c1cc(NC[C@H]2CCCOC2)cc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000823757469 607256016 /nfs/dbraw/zinc/25/60/16/607256016.db2.gz QVMZKJKDFXJDSS-CQSZACIVSA-N -1 3 351.410 3.498 20 0 FGADHM c1cc(NC[C@H]2CCCOC2)cc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000823757469 607256017 /nfs/dbraw/zinc/25/60/17/607256017.db2.gz QVMZKJKDFXJDSS-CQSZACIVSA-N -1 3 351.410 3.498 20 0 FGADHM Cc1cccc(NC2CCN(c3cccc(F)c3-c3nnn[n-]3)CC2)c1 ZINC000737399177 598975689 /nfs/dbraw/zinc/97/56/89/598975689.db2.gz IOTAGQJGGZYCQO-UHFFFAOYSA-N -1 3 352.417 3.395 20 0 FGADHM Cc1cccc(NC2CCN(c3cccc(F)c3-c3nn[n-]n3)CC2)c1 ZINC000737399177 598975691 /nfs/dbraw/zinc/97/56/91/598975691.db2.gz IOTAGQJGGZYCQO-UHFFFAOYSA-N -1 3 352.417 3.395 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)Oc1cccc(C(C)(C)C)c1 ZINC000737226703 598994840 /nfs/dbraw/zinc/99/48/40/598994840.db2.gz ZEIDDNXVBOYYKU-UHFFFAOYSA-N -1 3 372.450 3.240 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)Oc1cccc(C(C)(C)C)c1 ZINC000737226703 598994841 /nfs/dbraw/zinc/99/48/41/598994841.db2.gz ZEIDDNXVBOYYKU-UHFFFAOYSA-N -1 3 372.450 3.240 20 0 FGADHM C[C@H](CCC1CCCCC1)NC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000735986309 599008210 /nfs/dbraw/zinc/00/82/10/599008210.db2.gz REOLMSKVYLKGNW-CABCVRRESA-N -1 3 371.485 3.499 20 0 FGADHM C[C@H](CCC1CCCCC1)NC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000735986309 599008211 /nfs/dbraw/zinc/00/82/11/599008211.db2.gz REOLMSKVYLKGNW-CABCVRRESA-N -1 3 371.485 3.499 20 0 FGADHM C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000736237485 599008671 /nfs/dbraw/zinc/00/86/71/599008671.db2.gz WQMRRNHXBNMYMR-GNDWGAAVSA-N -1 3 359.433 3.285 20 0 FGADHM C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000736237485 599008673 /nfs/dbraw/zinc/00/86/73/599008673.db2.gz WQMRRNHXBNMYMR-GNDWGAAVSA-N -1 3 359.433 3.285 20 0 FGADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(N[C@@H]2C[C@@H]2Cc2ccccc2)n1 ZINC000822723505 599035016 /nfs/dbraw/zinc/03/50/16/599035016.db2.gz GZTLXQBXJLKGIM-WCQYABFASA-N -1 3 360.343 3.324 20 0 FGADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(N[C@@H]2C[C@@H]2Cc2ccccc2)n1 ZINC000822723505 599035019 /nfs/dbraw/zinc/03/50/19/599035019.db2.gz GZTLXQBXJLKGIM-WCQYABFASA-N -1 3 360.343 3.324 20 0 FGADHM Cc1cc(-c2noc(CNc3cccc(-c4nnn[n-]4)c3C)n2)ccc1F ZINC000822151265 607257887 /nfs/dbraw/zinc/25/78/87/607257887.db2.gz AIBJTMGXDRGAJD-UHFFFAOYSA-N -1 3 365.372 3.285 20 0 FGADHM Cc1cc(-c2noc(CNc3cccc(-c4nn[n-]n4)c3C)n2)ccc1F ZINC000822151265 607257888 /nfs/dbraw/zinc/25/78/88/607257888.db2.gz AIBJTMGXDRGAJD-UHFFFAOYSA-N -1 3 365.372 3.285 20 0 FGADHM C[C@H](Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)c1cccc(O)c1 ZINC000736136782 599051007 /nfs/dbraw/zinc/05/10/07/599051007.db2.gz INBAASVVWUMTEG-QMMMGPOBSA-N -1 3 350.304 3.159 20 0 FGADHM C[C@H](Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)c1cccc(O)c1 ZINC000736136782 599051010 /nfs/dbraw/zinc/05/10/10/599051010.db2.gz INBAASVVWUMTEG-QMMMGPOBSA-N -1 3 350.304 3.159 20 0 FGADHM Cc1cccc2c1CCN(c1nc(C(F)(F)F)ccc1-c1nnn[n-]1)C2 ZINC000737409085 599054859 /nfs/dbraw/zinc/05/48/59/599054859.db2.gz MWLRNBGFOADTPF-UHFFFAOYSA-N -1 3 360.343 3.152 20 0 FGADHM Cc1cccc2c1CCN(c1nc(C(F)(F)F)ccc1-c1nn[n-]n1)C2 ZINC000737409085 599054862 /nfs/dbraw/zinc/05/48/62/599054862.db2.gz MWLRNBGFOADTPF-UHFFFAOYSA-N -1 3 360.343 3.152 20 0 FGADHM CN(CCc1ccccc1F)c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000736805100 599056685 /nfs/dbraw/zinc/05/66/85/599056685.db2.gz APGFBYDWFHFTDN-UHFFFAOYSA-N -1 3 366.322 3.099 20 0 FGADHM CN(CCc1ccccc1F)c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000736805100 599056688 /nfs/dbraw/zinc/05/66/88/599056688.db2.gz APGFBYDWFHFTDN-UHFFFAOYSA-N -1 3 366.322 3.099 20 0 FGADHM CC(=O)c1c(C)[nH]c(C(=O)CSc2ccc(-c3nnn[n-]3)cc2F)c1C ZINC000735496546 599062527 /nfs/dbraw/zinc/06/25/27/599062527.db2.gz AJOPPECSHFGHCP-UHFFFAOYSA-N -1 3 373.413 3.128 20 0 FGADHM CC(=O)c1c(C)[nH]c(C(=O)CSc2ccc(-c3nn[n-]n3)cc2F)c1C ZINC000735496546 599062532 /nfs/dbraw/zinc/06/25/32/599062532.db2.gz AJOPPECSHFGHCP-UHFFFAOYSA-N -1 3 373.413 3.128 20 0 FGADHM Cc1ccc(N2CCC[C@@H](Nc3ccc(-c4nn[n-]n4)cc3F)C2)cc1 ZINC000822242249 599064762 /nfs/dbraw/zinc/06/47/62/599064762.db2.gz FUCVVCHPYGQUHH-OAHLLOKOSA-N -1 3 352.417 3.395 20 0 FGADHM CC(C)CCC[C@H](C)NC(=O)CSc1ccc(-c2nnn[n-]2)cc1F ZINC000735798678 599064968 /nfs/dbraw/zinc/06/49/68/599064968.db2.gz YAAKQAFSOAGIRB-LBPRGKRZSA-N -1 3 365.478 3.429 20 0 FGADHM CC(C)CCC[C@H](C)NC(=O)CSc1ccc(-c2nn[n-]n2)cc1F ZINC000735798678 599064970 /nfs/dbraw/zinc/06/49/70/599064970.db2.gz YAAKQAFSOAGIRB-LBPRGKRZSA-N -1 3 365.478 3.429 20 0 FGADHM C[C@@H]1CCC[C@@H](NC(=O)CSc2ccc(-c3nnn[n-]3)cc2F)[C@H]1C ZINC000736259575 599068033 /nfs/dbraw/zinc/06/80/33/599068033.db2.gz JOXPGSQYHRWYLY-UHIISALHSA-N -1 3 363.462 3.039 20 0 FGADHM C[C@@H]1CCC[C@@H](NC(=O)CSc2ccc(-c3nn[n-]n3)cc2F)[C@H]1C ZINC000736259575 599068035 /nfs/dbraw/zinc/06/80/35/599068035.db2.gz JOXPGSQYHRWYLY-UHIISALHSA-N -1 3 363.462 3.039 20 0 FGADHM COc1ccc2nc(NCc3cc(-c4nn[n-]n4)ccc3F)ccc2c1 ZINC000821853908 599069510 /nfs/dbraw/zinc/06/95/10/599069510.db2.gz CLWPNWHRLXLROP-UHFFFAOYSA-N -1 3 350.357 3.175 20 0 FGADHM C[C@@H]1CN(c2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)C[C@H](C)S1 ZINC000820769349 599074721 /nfs/dbraw/zinc/07/47/21/599074721.db2.gz SULQTFYRPONADC-AOOOYVTPSA-N -1 3 360.874 3.399 20 0 FGADHM C[C@@H]1CN(c2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)C[C@H](C)S1 ZINC000820769349 599074724 /nfs/dbraw/zinc/07/47/24/599074724.db2.gz SULQTFYRPONADC-AOOOYVTPSA-N -1 3 360.874 3.399 20 0 FGADHM Cn1ccnc1C[C@@H](Nc1cccc(F)c1-c1nnn[n-]1)c1ccccc1 ZINC000822698741 599091523 /nfs/dbraw/zinc/09/15/23/599091523.db2.gz CWVHRJKKLPMXJT-MRXNPFEDSA-N -1 3 363.400 3.135 20 0 FGADHM Cn1ccnc1C[C@@H](Nc1cccc(F)c1-c1nn[n-]n1)c1ccccc1 ZINC000822698741 599091526 /nfs/dbraw/zinc/09/15/26/599091526.db2.gz CWVHRJKKLPMXJT-MRXNPFEDSA-N -1 3 363.400 3.135 20 0 FGADHM CC(C)[C@H]1CN(c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CCS1 ZINC000820046304 599097393 /nfs/dbraw/zinc/09/73/93/599097393.db2.gz RJQJJDZEWQJJKL-CYBMUJFWSA-N -1 3 357.405 3.463 20 0 FGADHM CC(C)[C@H]1CN(c2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CCS1 ZINC000820046304 599097396 /nfs/dbraw/zinc/09/73/96/599097396.db2.gz RJQJJDZEWQJJKL-CYBMUJFWSA-N -1 3 357.405 3.463 20 0 FGADHM CC[C@H]1CN(c2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)CCS1 ZINC000820993906 599102154 /nfs/dbraw/zinc/10/21/54/599102154.db2.gz BVFPQFIXCIPVQI-JTQLQIEISA-N -1 3 362.409 3.025 20 0 FGADHM CC[C@H]1CN(c2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)CCS1 ZINC000820993906 599102156 /nfs/dbraw/zinc/10/21/56/599102156.db2.gz BVFPQFIXCIPVQI-JTQLQIEISA-N -1 3 362.409 3.025 20 0 FGADHM Cc1ccnc(-c2ccc(NC(=O)Nc3ccc(-c4nnn[n-]4)cc3)cc2)n1 ZINC000737437080 599102178 /nfs/dbraw/zinc/10/21/78/599102178.db2.gz QOJVIBGUZFKPLK-UHFFFAOYSA-N -1 3 372.392 3.276 20 0 FGADHM Cc1ccnc(-c2ccc(NC(=O)Nc3ccc(-c4nn[n-]n4)cc3)cc2)n1 ZINC000737437080 599102179 /nfs/dbraw/zinc/10/21/79/599102179.db2.gz QOJVIBGUZFKPLK-UHFFFAOYSA-N -1 3 372.392 3.276 20 0 FGADHM Cc1cccnc1[C@@H](NC(=O)Nc1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000737432597 599102224 /nfs/dbraw/zinc/10/22/24/599102224.db2.gz BDJXKFLCPTWLBC-HNNXBMFYSA-N -1 3 351.414 3.089 20 0 FGADHM Cc1cccnc1[C@@H](NC(=O)Nc1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000737432597 599102225 /nfs/dbraw/zinc/10/22/25/599102225.db2.gz BDJXKFLCPTWLBC-HNNXBMFYSA-N -1 3 351.414 3.089 20 0 FGADHM Cc1cccc([C@@H]2CCCN2C(=O)Cc2ccc(-c3nnn[n-]3)cc2)c1C ZINC000737391155 599103678 /nfs/dbraw/zinc/10/36/78/599103678.db2.gz ZHIPIUISNPDLCP-IBGZPJMESA-N -1 3 361.449 3.390 20 0 FGADHM Cc1cccc([C@@H]2CCCN2C(=O)Cc2ccc(-c3nn[n-]n3)cc2)c1C ZINC000737391155 599103680 /nfs/dbraw/zinc/10/36/80/599103680.db2.gz ZHIPIUISNPDLCP-IBGZPJMESA-N -1 3 361.449 3.390 20 0 FGADHM C[C@H](NC(=O)NCC[C@@H]1CCC[C@@H](C)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736249813 599104051 /nfs/dbraw/zinc/10/40/51/599104051.db2.gz KXRONBHCCMYEPQ-ILXRZTDVSA-N -1 3 356.474 3.443 20 0 FGADHM C[C@H](NC(=O)NCC[C@@H]1CCC[C@@H](C)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736249813 599104052 /nfs/dbraw/zinc/10/40/52/599104052.db2.gz KXRONBHCCMYEPQ-ILXRZTDVSA-N -1 3 356.474 3.443 20 0 FGADHM C[C@@H]1CCC[C@@H](CCNC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000736254371 599105764 /nfs/dbraw/zinc/10/57/64/599105764.db2.gz YWULZPLVUWYTHV-OLZOCXBDSA-N -1 3 360.437 3.021 20 0 FGADHM C[C@@H]1CCC[C@@H](CCNC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000736254371 599105765 /nfs/dbraw/zinc/10/57/65/599105765.db2.gz YWULZPLVUWYTHV-OLZOCXBDSA-N -1 3 360.437 3.021 20 0 FGADHM COC(=O)[C@@H](Sc1nc(C)cc(C)c1-c1nnn[n-]1)c1ccccc1F ZINC000821650232 599123717 /nfs/dbraw/zinc/12/37/17/599123717.db2.gz MTEVXUYRPJMTHA-AWEZNQCLSA-N -1 3 373.413 3.024 20 0 FGADHM COC(=O)[C@@H](Sc1nc(C)cc(C)c1-c1nn[n-]n1)c1ccccc1F ZINC000821650232 599123720 /nfs/dbraw/zinc/12/37/20/599123720.db2.gz MTEVXUYRPJMTHA-AWEZNQCLSA-N -1 3 373.413 3.024 20 0 FGADHM O=C(OC/C=C\Cl)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738219758 599131138 /nfs/dbraw/zinc/13/11/38/599131138.db2.gz APKSKGQOJRIPNC-MBXJOHMKSA-N -1 3 370.796 3.355 20 0 FGADHM C[C@@H](CCc1cccc(F)c1)C(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820254656 599139147 /nfs/dbraw/zinc/13/91/47/599139147.db2.gz UANYHNUOLSESHS-AWEZNQCLSA-N -1 3 367.428 3.233 20 0 FGADHM C[C@@H](CCc1cccc(F)c1)C(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820254656 599139149 /nfs/dbraw/zinc/13/91/49/599139149.db2.gz UANYHNUOLSESHS-AWEZNQCLSA-N -1 3 367.428 3.233 20 0 FGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)NC[C@H](C)C(C)(C)C ZINC000735906271 599144543 /nfs/dbraw/zinc/14/45/43/599144543.db2.gz QNYUSIBHKVYWCE-LBPRGKRZSA-N -1 3 360.462 3.458 20 0 FGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)NC[C@H](C)C(C)(C)C ZINC000735906271 599144547 /nfs/dbraw/zinc/14/45/47/599144547.db2.gz QNYUSIBHKVYWCE-LBPRGKRZSA-N -1 3 360.462 3.458 20 0 FGADHM Cc1ccc([C@@H](C)C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)o1 ZINC000822227408 599150817 /nfs/dbraw/zinc/15/08/17/599150817.db2.gz HJLSMNRXFYUYCI-SECBINFHSA-N -1 3 363.324 3.112 20 0 FGADHM Cc1ccc([C@@H](C)C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)o1 ZINC000822227408 599150820 /nfs/dbraw/zinc/15/08/20/599150820.db2.gz HJLSMNRXFYUYCI-SECBINFHSA-N -1 3 363.324 3.112 20 0 FGADHM Cc1ccc([C@H](C)C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)o1 ZINC000822227409 599150954 /nfs/dbraw/zinc/15/09/54/599150954.db2.gz HJLSMNRXFYUYCI-VIFPVBQESA-N -1 3 363.324 3.112 20 0 FGADHM Cc1ccc([C@H](C)C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)o1 ZINC000822227409 599150958 /nfs/dbraw/zinc/15/09/58/599150958.db2.gz HJLSMNRXFYUYCI-VIFPVBQESA-N -1 3 363.324 3.112 20 0 FGADHM CC[C@@H](C)OC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736324033 599151512 /nfs/dbraw/zinc/15/15/12/599151512.db2.gz GLWKEHOSUXWARA-CYBMUJFWSA-N -1 3 352.394 3.401 20 0 FGADHM CC(C)(C)C1CCN(C(=O)CSCc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000735597093 599168100 /nfs/dbraw/zinc/16/81/00/599168100.db2.gz MEBVSKGEXBMADR-UHFFFAOYSA-N -1 3 373.526 3.385 20 0 FGADHM CC(C)(C)C1CCN(C(=O)CSCc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735597093 599168101 /nfs/dbraw/zinc/16/81/01/599168101.db2.gz MEBVSKGEXBMADR-UHFFFAOYSA-N -1 3 373.526 3.385 20 0 FGADHM CC(C)[C@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(=O)NC1CCCC1 ZINC000735734858 599168319 /nfs/dbraw/zinc/16/83/19/599168319.db2.gz KFIVISCAUOXXQV-HNNXBMFYSA-N -1 3 363.462 3.181 20 0 FGADHM CC(C)[C@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(=O)NC1CCCC1 ZINC000735734858 599168322 /nfs/dbraw/zinc/16/83/22/599168322.db2.gz KFIVISCAUOXXQV-HNNXBMFYSA-N -1 3 363.462 3.181 20 0 FGADHM CCOC(=O)[C@H](Sc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000736591582 599169491 /nfs/dbraw/zinc/16/94/91/599169491.db2.gz VXOGJYDXELAKFV-OAHLLOKOSA-N -1 3 358.398 3.402 20 0 FGADHM CCOC(=O)[C@H](Sc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000736591582 599169492 /nfs/dbraw/zinc/16/94/92/599169492.db2.gz VXOGJYDXELAKFV-OAHLLOKOSA-N -1 3 358.398 3.402 20 0 FGADHM CCc1sc(=O)n(Cc2cccc(-c3nnn[n-]3)c2)c1-c1ccccc1 ZINC000736714779 599172964 /nfs/dbraw/zinc/17/29/64/599172964.db2.gz ZWFIUTDVENDPJW-UHFFFAOYSA-N -1 3 363.446 3.368 20 0 FGADHM CCc1sc(=O)n(Cc2cccc(-c3nn[n-]n3)c2)c1-c1ccccc1 ZINC000736714779 599172966 /nfs/dbraw/zinc/17/29/66/599172966.db2.gz ZWFIUTDVENDPJW-UHFFFAOYSA-N -1 3 363.446 3.368 20 0 FGADHM Cc1ccc(CC[C@@H](C)NC(=S)Nc2ccccc2-c2nnn[n-]2)o1 ZINC000737338804 599176110 /nfs/dbraw/zinc/17/61/10/599176110.db2.gz XBURGDXQLPIWRQ-LLVKDONJSA-N -1 3 356.455 3.076 20 0 FGADHM Cc1ccc(CC[C@@H](C)NC(=S)Nc2ccccc2-c2nn[n-]n2)o1 ZINC000737338804 599176112 /nfs/dbraw/zinc/17/61/12/599176112.db2.gz XBURGDXQLPIWRQ-LLVKDONJSA-N -1 3 356.455 3.076 20 0 FGADHM CCc1ccc([C@@H](C)CC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000821477117 599183378 /nfs/dbraw/zinc/18/33/78/599183378.db2.gz ZAQPKZKRSUJVCR-ZDUSSCGKSA-N -1 3 367.428 3.378 20 0 FGADHM CCc1ccc([C@@H](C)CC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000821477117 599183379 /nfs/dbraw/zinc/18/33/79/599183379.db2.gz ZAQPKZKRSUJVCR-ZDUSSCGKSA-N -1 3 367.428 3.378 20 0 FGADHM Cc1cc(F)cc2[nH]c(C(=O)OCc3ccccc3-c3nnn[n-]3)cc21 ZINC000737262517 599216801 /nfs/dbraw/zinc/21/68/01/599216801.db2.gz IQZYKFSPRGTSDX-UHFFFAOYSA-N -1 3 351.341 3.153 20 0 FGADHM Cc1cc(F)cc2[nH]c(C(=O)OCc3ccccc3-c3nn[n-]n3)cc21 ZINC000737262517 599216802 /nfs/dbraw/zinc/21/68/02/599216802.db2.gz IQZYKFSPRGTSDX-UHFFFAOYSA-N -1 3 351.341 3.153 20 0 FGADHM Cc1ccc(C)c(NC(=S)NCc2cc(-c3nnn[n-]3)ccc2F)c1 ZINC000822232246 599229558 /nfs/dbraw/zinc/22/95/58/599229558.db2.gz YJQZPABVUXVNFP-UHFFFAOYSA-N -1 3 356.430 3.109 20 0 FGADHM CN(C(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1)C1CCC1 ZINC000736741997 599229561 /nfs/dbraw/zinc/22/95/61/599229561.db2.gz KFOWNLHJTYWIAG-UHFFFAOYSA-N -1 3 363.421 3.070 20 0 FGADHM CN(C(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1)C1CCC1 ZINC000736741997 599229563 /nfs/dbraw/zinc/22/95/63/599229563.db2.gz KFOWNLHJTYWIAG-UHFFFAOYSA-N -1 3 363.421 3.070 20 0 FGADHM Cc1ccc(C)c(NC(=S)NCc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC000822232246 599229560 /nfs/dbraw/zinc/22/95/60/599229560.db2.gz YJQZPABVUXVNFP-UHFFFAOYSA-N -1 3 356.430 3.109 20 0 FGADHM O=C(c1cccc(-c2nnn[n-]2)c1)N1CCC(OCC2CCCCC2)CC1 ZINC000738269671 599229935 /nfs/dbraw/zinc/22/99/35/599229935.db2.gz PWQBHXURFDPPSK-UHFFFAOYSA-N -1 3 369.469 3.068 20 0 FGADHM O=C(c1cccc(-c2nn[n-]n2)c1)N1CCC(OCC2CCCCC2)CC1 ZINC000738269671 599229937 /nfs/dbraw/zinc/22/99/37/599229937.db2.gz PWQBHXURFDPPSK-UHFFFAOYSA-N -1 3 369.469 3.068 20 0 FGADHM COc1cccc(N2CCC[C@@H](Nc3ccc(-c4nn[n-]n4)cc3F)C2)c1 ZINC000737140936 599231271 /nfs/dbraw/zinc/23/12/71/599231271.db2.gz UBIUPFLTIHJDTP-CQSZACIVSA-N -1 3 368.416 3.095 20 0 FGADHM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)N[C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000737932841 599227180 /nfs/dbraw/zinc/22/71/80/599227180.db2.gz RBXNEXGIEVRDOZ-DJIMGWMZSA-N -1 3 371.510 3.185 20 0 FGADHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)N[C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000737932841 599227181 /nfs/dbraw/zinc/22/71/81/599227181.db2.gz RBXNEXGIEVRDOZ-DJIMGWMZSA-N -1 3 371.510 3.185 20 0 FGADHM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000737932844 599227769 /nfs/dbraw/zinc/22/77/69/599227769.db2.gz RBXNEXGIEVRDOZ-USXIJHARSA-N -1 3 371.510 3.185 20 0 FGADHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000737932844 599227772 /nfs/dbraw/zinc/22/77/72/599227772.db2.gz RBXNEXGIEVRDOZ-USXIJHARSA-N -1 3 371.510 3.185 20 0 FGADHM Cc1c(Cl)cccc1NC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000822034574 599239618 /nfs/dbraw/zinc/23/96/18/599239618.db2.gz HKOVEEPHYWVDSB-UHFFFAOYSA-N -1 3 372.816 3.029 20 0 FGADHM C[C@H](CNC(=O)Nc1ccc(-c2nnn[n-]2)cc1)Oc1cccc(Cl)c1 ZINC000820269125 599240573 /nfs/dbraw/zinc/24/05/73/599240573.db2.gz HPMHSINGKUPTKQ-LLVKDONJSA-N -1 3 372.816 3.109 20 0 FGADHM C[C@H](CNC(=O)Nc1ccc(-c2nn[n-]n2)cc1)Oc1cccc(Cl)c1 ZINC000820269125 599240575 /nfs/dbraw/zinc/24/05/75/599240575.db2.gz HPMHSINGKUPTKQ-LLVKDONJSA-N -1 3 372.816 3.109 20 0 FGADHM Cc1c(NC(=O)CCSc2ccc(F)cc2)cccc1-c1nnn[n-]1 ZINC000822068390 607271402 /nfs/dbraw/zinc/27/14/02/607271402.db2.gz QNBVWYIRUFSACJ-UHFFFAOYSA-N -1 3 357.414 3.435 20 0 FGADHM Cc1c(NC(=O)CCSc2ccc(F)cc2)cccc1-c1nn[n-]n1 ZINC000822068390 607271403 /nfs/dbraw/zinc/27/14/03/607271403.db2.gz QNBVWYIRUFSACJ-UHFFFAOYSA-N -1 3 357.414 3.435 20 0 FGADHM Cc1c(NC(=O)c2cnc(OC(C)C)c(Cl)c2)cccc1-c1nnn[n-]1 ZINC000822115742 607271809 /nfs/dbraw/zinc/27/18/09/607271809.db2.gz HYFYLRVMHTZFBJ-UHFFFAOYSA-N -1 3 372.816 3.263 20 0 FGADHM Cc1c(NC(=O)c2cnc(OC(C)C)c(Cl)c2)cccc1-c1nn[n-]n1 ZINC000822115742 607271810 /nfs/dbraw/zinc/27/18/10/607271810.db2.gz HYFYLRVMHTZFBJ-UHFFFAOYSA-N -1 3 372.816 3.263 20 0 FGADHM COc1ccc([C@@H](C)CC(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1 ZINC000821777705 607269245 /nfs/dbraw/zinc/26/92/45/607269245.db2.gz LNTIWIUPNRZCQH-LBPRGKRZSA-N -1 3 351.410 3.316 20 0 FGADHM COc1ccc([C@@H](C)CC(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1 ZINC000821777705 607269246 /nfs/dbraw/zinc/26/92/46/607269246.db2.gz LNTIWIUPNRZCQH-LBPRGKRZSA-N -1 3 351.410 3.316 20 0 FGADHM CCOc1ccccc1NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821436689 599246956 /nfs/dbraw/zinc/24/69/56/599246956.db2.gz FFZUVFQJNJVYLQ-LBPRGKRZSA-N -1 3 352.398 3.148 20 0 FGADHM CCOc1ccccc1NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821436689 599246959 /nfs/dbraw/zinc/24/69/59/599246959.db2.gz FFZUVFQJNJVYLQ-LBPRGKRZSA-N -1 3 352.398 3.148 20 0 FGADHM O=C(C[C@H]1CCOc2ccccc21)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000737819110 599247338 /nfs/dbraw/zinc/24/73/38/599247338.db2.gz MHMAVJPYBDSECH-LLVKDONJSA-N -1 3 369.812 3.415 20 0 FGADHM O=C(C[C@H]1CCOc2ccccc21)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000737819110 599247340 /nfs/dbraw/zinc/24/73/40/599247340.db2.gz MHMAVJPYBDSECH-LLVKDONJSA-N -1 3 369.812 3.415 20 0 FGADHM Cc1c(NC(=O)N2CCOC3(C2)CCCCCC3)cccc1-c1nnn[n-]1 ZINC000822084351 607280182 /nfs/dbraw/zinc/28/01/82/607280182.db2.gz JVPWXCHVDWKRKP-UHFFFAOYSA-N -1 3 370.457 3.132 20 0 FGADHM Cc1c(NC(=O)N2CCOC3(C2)CCCCCC3)cccc1-c1nn[n-]n1 ZINC000822084351 607280183 /nfs/dbraw/zinc/28/01/83/607280183.db2.gz JVPWXCHVDWKRKP-UHFFFAOYSA-N -1 3 370.457 3.132 20 0 FGADHM COc1ccc([C@@H](C)N(C)C(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1 ZINC000821777565 607281275 /nfs/dbraw/zinc/28/12/75/607281275.db2.gz IFXNEFFWPUTFDY-CYBMUJFWSA-N -1 3 366.425 3.409 20 0 FGADHM COc1ccc([C@@H](C)N(C)C(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1 ZINC000821777565 607281276 /nfs/dbraw/zinc/28/12/76/607281276.db2.gz IFXNEFFWPUTFDY-CYBMUJFWSA-N -1 3 366.425 3.409 20 0 FGADHM CCOCc1ccc(CNC(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1 ZINC000821384535 607288751 /nfs/dbraw/zinc/28/87/51/607288751.db2.gz ZBVMDPAWLRCONZ-UHFFFAOYSA-N -1 3 366.425 3.033 20 0 FGADHM CCOCc1ccc(CNC(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1 ZINC000821384535 607288752 /nfs/dbraw/zinc/28/87/52/607288752.db2.gz ZBVMDPAWLRCONZ-UHFFFAOYSA-N -1 3 366.425 3.033 20 0 FGADHM Cc1c(NC(=O)NCc2nc(C(C)(C)C)cs2)cccc1-c1nnn[n-]1 ZINC000822103625 607283297 /nfs/dbraw/zinc/28/32/97/607283297.db2.gz IYAHSBHJLIJWJK-UHFFFAOYSA-N -1 3 371.470 3.251 20 0 FGADHM Cc1c(NC(=O)NCc2nc(C(C)(C)C)cs2)cccc1-c1nn[n-]n1 ZINC000822103625 607283298 /nfs/dbraw/zinc/28/32/98/607283298.db2.gz IYAHSBHJLIJWJK-UHFFFAOYSA-N -1 3 371.470 3.251 20 0 FGADHM CC[C@@](C)(NC(=O)Nc1cccc(-c2nnn[n-]2)c1C)c1nc(C)cs1 ZINC000820853011 607285176 /nfs/dbraw/zinc/28/51/76/607285176.db2.gz JHBAXZXKVUJUQQ-QGZVFWFLSA-N -1 3 371.470 3.387 20 0 FGADHM CC[C@@](C)(NC(=O)Nc1cccc(-c2nn[n-]n2)c1C)c1nc(C)cs1 ZINC000820853011 607285177 /nfs/dbraw/zinc/28/51/77/607285177.db2.gz JHBAXZXKVUJUQQ-QGZVFWFLSA-N -1 3 371.470 3.387 20 0 FGADHM CCOc1ccc(NC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1F ZINC000821422187 599257674 /nfs/dbraw/zinc/25/76/74/599257674.db2.gz RQJQGILGQYSLNQ-LLVKDONJSA-N -1 3 370.388 3.287 20 0 FGADHM CCOc1ccc(NC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1F ZINC000821422187 599257676 /nfs/dbraw/zinc/25/76/76/599257676.db2.gz RQJQGILGQYSLNQ-LLVKDONJSA-N -1 3 370.388 3.287 20 0 FGADHM CCN(C(=O)Nc1cccc(-c2nnn[n-]2)c1C)[C@H](C)c1cccnc1 ZINC000821154636 607292072 /nfs/dbraw/zinc/29/20/72/607292072.db2.gz QLEHUWMPIHRBAE-CYBMUJFWSA-N -1 3 351.414 3.185 20 0 FGADHM CCN(C(=O)Nc1cccc(-c2nn[n-]n2)c1C)[C@H](C)c1cccnc1 ZINC000821154636 607292073 /nfs/dbraw/zinc/29/20/73/607292073.db2.gz QLEHUWMPIHRBAE-CYBMUJFWSA-N -1 3 351.414 3.185 20 0 FGADHM COc1ccc(CN(C)C(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1C ZINC000821795194 607292078 /nfs/dbraw/zinc/29/20/78/607292078.db2.gz VXXZJBNIPZBHJE-UHFFFAOYSA-N -1 3 366.425 3.156 20 0 FGADHM COc1ccc(CN(C)C(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1C ZINC000821795194 607292079 /nfs/dbraw/zinc/29/20/79/607292079.db2.gz VXXZJBNIPZBHJE-UHFFFAOYSA-N -1 3 366.425 3.156 20 0 FGADHM Cc1c(NC(=O)c2cn(C)nc2C2CCCCC2)cccc1-c1nnn[n-]1 ZINC000822116261 607294433 /nfs/dbraw/zinc/29/44/33/607294433.db2.gz ORZNNOJTUNBJPV-UHFFFAOYSA-N -1 3 365.441 3.209 20 0 FGADHM Cc1c(NC(=O)c2cn(C)nc2C2CCCCC2)cccc1-c1nn[n-]n1 ZINC000822116261 607294434 /nfs/dbraw/zinc/29/44/34/607294434.db2.gz ORZNNOJTUNBJPV-UHFFFAOYSA-N -1 3 365.441 3.209 20 0 FGADHM c1ccc(CSCCNc2c(-c3nnn[n-]3)cnc3ccccc32)cc1 ZINC000738433909 599260266 /nfs/dbraw/zinc/26/02/66/599260266.db2.gz YIUWIWJZKJYZBR-UHFFFAOYSA-N -1 3 362.462 3.182 20 0 FGADHM c1ccc(CSCCNc2c(-c3nn[n-]n3)cnc3ccccc32)cc1 ZINC000738433909 599260270 /nfs/dbraw/zinc/26/02/70/599260270.db2.gz YIUWIWJZKJYZBR-UHFFFAOYSA-N -1 3 362.462 3.182 20 0 FGADHM c1nc2ccc(-c3nnn[n-]3)cn2c1CNc1ccc(N2CCCCC2)cc1 ZINC000823756691 607308771 /nfs/dbraw/zinc/30/87/71/607308771.db2.gz FFIJVVUUASESQJ-UHFFFAOYSA-N -1 3 374.452 3.117 20 0 FGADHM c1nc2ccc(-c3nn[n-]n3)cn2c1CNc1ccc(N2CCCCC2)cc1 ZINC000823756691 607308772 /nfs/dbraw/zinc/30/87/72/607308772.db2.gz FFIJVVUUASESQJ-UHFFFAOYSA-N -1 3 374.452 3.117 20 0 FGADHM FC(F)(F)COc1ccc(NCc2ccc(-c3nnn[n-]3)s2)cc1 ZINC000822718506 607309346 /nfs/dbraw/zinc/30/93/46/607309346.db2.gz KOIUIKSGRGAORF-UHFFFAOYSA-N -1 3 355.345 3.481 20 0 FGADHM CCc1nnc(-c2cccc(NCc3ccc(-c4nnn[n-]4)s3)c2)o1 ZINC000821517462 607317665 /nfs/dbraw/zinc/31/76/65/607317665.db2.gz JEISFAVQHLFQMP-UHFFFAOYSA-N -1 3 353.411 3.153 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)Cc1ccc(F)cc1 ZINC000736488975 599275329 /nfs/dbraw/zinc/27/53/29/599275329.db2.gz WMXBQWBKIOVFST-UHFFFAOYSA-N -1 3 354.389 3.009 20 0 FGADHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)Nc1cccc(C(F)F)c1 ZINC000823216041 599275506 /nfs/dbraw/zinc/27/55/06/599275506.db2.gz WYCAWLVQQQLNHS-UHFFFAOYSA-N -1 3 374.351 3.005 20 0 FGADHM Cc1cc(-c2nn[n-]n2)cc(C)c1OCc1noc(-c2cccs2)n1 ZINC000737221817 599283522 /nfs/dbraw/zinc/28/35/22/599283522.db2.gz PGILYFPOKOVOSX-UHFFFAOYSA-N -1 3 354.395 3.174 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)OCCCc1ccc(F)cc1 ZINC000737802718 599286897 /nfs/dbraw/zinc/28/68/97/599286897.db2.gz QSQVQVWWWUGMPI-FMIVXFBMSA-N -1 3 352.369 3.195 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)OCCCc1ccc(F)cc1 ZINC000737802718 599286899 /nfs/dbraw/zinc/28/68/99/599286899.db2.gz QSQVQVWWWUGMPI-FMIVXFBMSA-N -1 3 352.369 3.195 20 0 FGADHM C[C@@H](Sc1nnnn1C1CCCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736198310 599287840 /nfs/dbraw/zinc/28/78/40/599287840.db2.gz SEWOKGXPZZPPSY-LLVKDONJSA-N -1 3 356.459 3.212 20 0 FGADHM C[C@@H](Sc1nnnn1C1CCCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736198310 599287842 /nfs/dbraw/zinc/28/78/42/599287842.db2.gz SEWOKGXPZZPPSY-LLVKDONJSA-N -1 3 356.459 3.212 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)NC1CCCCC1 ZINC000823303926 599290730 /nfs/dbraw/zinc/29/07/30/599290730.db2.gz YXAXYWDLDYZKKE-UHFFFAOYSA-N -1 3 354.336 3.340 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)NC1CCCCC1 ZINC000823303926 599290731 /nfs/dbraw/zinc/29/07/31/599290731.db2.gz YXAXYWDLDYZKKE-UHFFFAOYSA-N -1 3 354.336 3.340 20 0 FGADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccccc1OC1CCC1 ZINC000736821271 599292090 /nfs/dbraw/zinc/29/20/90/599292090.db2.gz BOUMBGGLBDXSJF-UHFFFAOYSA-N -1 3 363.421 3.070 20 0 FGADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccccc1OC1CCC1 ZINC000736821271 599292092 /nfs/dbraw/zinc/29/20/92/599292092.db2.gz BOUMBGGLBDXSJF-UHFFFAOYSA-N -1 3 363.421 3.070 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)ccc1OCc1ccn(C(CC)CC)n1 ZINC000821395371 607326300 /nfs/dbraw/zinc/32/63/00/607326300.db2.gz XOIKZEPEPSBFLR-UHFFFAOYSA-N -1 3 356.430 3.402 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)ccc1OCc1ccn(C(CC)CC)n1 ZINC000821395371 607326301 /nfs/dbraw/zinc/32/63/01/607326301.db2.gz XOIKZEPEPSBFLR-UHFFFAOYSA-N -1 3 356.430 3.402 20 0 FGADHM O=C(Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)c1ccncc1 ZINC000738186023 598231171 /nfs/dbraw/zinc/23/11/71/598231171.db2.gz WMBAKIDCYVFGPA-UHFFFAOYSA-N -1 3 358.361 3.306 20 0 FGADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cc1F)c1cccc(N2CCOC2=O)c1 ZINC000736139235 598241720 /nfs/dbraw/zinc/24/17/20/598241720.db2.gz PPNZOJASOXPTLG-LLVKDONJSA-N -1 3 368.372 3.136 20 0 FGADHM CCN(Cc1cn2ccccc2c1-c1nnn[n-]1)Cc1c(F)cccc1F ZINC000736555384 598257013 /nfs/dbraw/zinc/25/70/13/598257013.db2.gz IPOVAQRQIWUILV-UHFFFAOYSA-N -1 3 368.391 3.420 20 0 FGADHM CCN(Cc1cn2ccccc2c1-c1nn[n-]n1)Cc1c(F)cccc1F ZINC000736555384 598257015 /nfs/dbraw/zinc/25/70/15/598257015.db2.gz IPOVAQRQIWUILV-UHFFFAOYSA-N -1 3 368.391 3.420 20 0 FGADHM C[C@H]1C[C@@H]1NC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736238833 598266559 /nfs/dbraw/zinc/26/65/59/598266559.db2.gz RRDXWNGANJMBLX-ZBEGNZNMSA-N -1 3 350.382 3.189 20 0 FGADHM C[C@H]1C[C@@H]1NC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736238833 598266560 /nfs/dbraw/zinc/26/65/60/598266560.db2.gz RRDXWNGANJMBLX-ZBEGNZNMSA-N -1 3 350.382 3.189 20 0 FGADHM Cc1ccccc1CNC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000737428969 598277056 /nfs/dbraw/zinc/27/70/56/598277056.db2.gz ZMFCJYPHEVMPFU-UHFFFAOYSA-N -1 3 353.430 3.053 20 0 FGADHM Cc1ccccc1CNC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000737428969 598277058 /nfs/dbraw/zinc/27/70/58/598277058.db2.gz ZMFCJYPHEVMPFU-UHFFFAOYSA-N -1 3 353.430 3.053 20 0 FGADHM CC(C)c1cccc(OCC(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000735933036 598279720 /nfs/dbraw/zinc/27/97/20/598279720.db2.gz SCKFWOJMAAQJLW-UHFFFAOYSA-N -1 3 369.400 3.171 20 0 FGADHM CC(C)c1cccc(OCC(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000735933036 598279721 /nfs/dbraw/zinc/27/97/21/598279721.db2.gz SCKFWOJMAAQJLW-UHFFFAOYSA-N -1 3 369.400 3.171 20 0 FGADHM CCOc1cc2c(cc1NCc1ccc(-c3nnn[n-]3)cc1)O[C@@H](C)C2 ZINC000736635303 598283269 /nfs/dbraw/zinc/28/32/69/598283269.db2.gz LYFYFDMGEFHNNR-LBPRGKRZSA-N -1 3 351.410 3.201 20 0 FGADHM CCOc1cc2c(cc1NCc1ccc(-c3nn[n-]n3)cc1)O[C@@H](C)C2 ZINC000736635303 598283284 /nfs/dbraw/zinc/28/32/84/598283284.db2.gz LYFYFDMGEFHNNR-LBPRGKRZSA-N -1 3 351.410 3.201 20 0 FGADHM O=C(CSc1cccc(Cl)c1)Nc1sccc1-c1nnn[n-]1 ZINC000737948389 598294992 /nfs/dbraw/zinc/29/49/92/598294992.db2.gz UZHMZBUOEOFGRK-UHFFFAOYSA-N -1 3 351.844 3.312 20 0 FGADHM O=C(CSc1cccc(Cl)c1)Nc1sccc1-c1nn[n-]n1 ZINC000737948389 598294994 /nfs/dbraw/zinc/29/49/94/598294994.db2.gz UZHMZBUOEOFGRK-UHFFFAOYSA-N -1 3 351.844 3.312 20 0 FGADHM CCN(Cc1nc(-c2ccoc2)no1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736556759 598310304 /nfs/dbraw/zinc/31/03/04/598310304.db2.gz SNPSEPCVDILKDX-LBPRGKRZSA-N -1 3 365.397 3.093 20 0 FGADHM CN(Cc1ccsc1)C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736830560 598318821 /nfs/dbraw/zinc/31/88/21/598318821.db2.gz WTOOXGBSSVZKBX-UHFFFAOYSA-N -1 3 364.887 3.410 20 0 FGADHM CN(Cc1ccsc1)C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736830560 598318823 /nfs/dbraw/zinc/31/88/23/598318823.db2.gz WTOOXGBSSVZKBX-UHFFFAOYSA-N -1 3 364.887 3.410 20 0 FGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)Nc1ccc(F)cc1Cl ZINC000738099727 598322865 /nfs/dbraw/zinc/32/28/65/598322865.db2.gz JCXGSZVWGZTIFM-UHFFFAOYSA-N -1 3 364.743 3.120 20 0 FGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)Nc1ccc(F)cc1Cl ZINC000738099727 598322866 /nfs/dbraw/zinc/32/28/66/598322866.db2.gz JCXGSZVWGZTIFM-UHFFFAOYSA-N -1 3 364.743 3.120 20 0 FGADHM CC[C@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F)c1ccc(C)cc1 ZINC000736361892 598325625 /nfs/dbraw/zinc/32/56/25/598325625.db2.gz IDVYKCHKSAICRL-KRWDZBQOSA-N -1 3 368.416 3.265 20 0 FGADHM CC[C@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1ccc(C)cc1 ZINC000736361892 598325627 /nfs/dbraw/zinc/32/56/27/598325627.db2.gz IDVYKCHKSAICRL-KRWDZBQOSA-N -1 3 368.416 3.265 20 0 FGADHM Cc1cc(F)ccc1C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC000822205694 607351158 /nfs/dbraw/zinc/35/11/58/607351158.db2.gz FLSMBLCHBIASEL-UHFFFAOYSA-N -1 3 355.373 3.354 20 0 FGADHM Cc1cc(F)ccc1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC000822205694 607351160 /nfs/dbraw/zinc/35/11/60/607351160.db2.gz FLSMBLCHBIASEL-UHFFFAOYSA-N -1 3 355.373 3.354 20 0 FGADHM O=C(OCc1cc(-c2nnn[n-]2)ccc1F)[C@@H]1CCCc2sccc21 ZINC000823413671 607353475 /nfs/dbraw/zinc/35/34/75/607353475.db2.gz LVPFGSMWSQYAHJ-CYBMUJFWSA-N -1 3 358.398 3.231 20 0 FGADHM O=C(OCc1cc(-c2nn[n-]n2)ccc1F)[C@@H]1CCCc2sccc21 ZINC000823413671 607353477 /nfs/dbraw/zinc/35/34/77/607353477.db2.gz LVPFGSMWSQYAHJ-CYBMUJFWSA-N -1 3 358.398 3.231 20 0 FGADHM CCN(Cc1ccoc1)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736555361 598356496 /nfs/dbraw/zinc/35/64/96/598356496.db2.gz HRDRXTWNZQSMAP-UHFFFAOYSA-N -1 3 357.418 3.070 20 0 FGADHM CCN(Cc1ccoc1)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736555361 598356498 /nfs/dbraw/zinc/35/64/98/598356498.db2.gz HRDRXTWNZQSMAP-UHFFFAOYSA-N -1 3 357.418 3.070 20 0 FGADHM O=C(OCCOc1cccc(-c2nnn[n-]2)c1)c1ccc(C(F)F)cc1 ZINC000738223815 598359797 /nfs/dbraw/zinc/35/97/97/598359797.db2.gz XKSLDEOYWGLZNW-UHFFFAOYSA-N -1 3 360.320 3.040 20 0 FGADHM O=C(OCCOc1cccc(-c2nn[n-]n2)c1)c1ccc(C(F)F)cc1 ZINC000738223815 598359799 /nfs/dbraw/zinc/35/97/99/598359799.db2.gz XKSLDEOYWGLZNW-UHFFFAOYSA-N -1 3 360.320 3.040 20 0 FGADHM c1ccc(C[C@@H]2CCCN(c3nc4c(cc3-c3nnn[n-]3)CCC4)C2)cc1 ZINC000738429333 598363637 /nfs/dbraw/zinc/36/36/37/598363637.db2.gz XNDCRCJHSGGXLP-INIZCTEOSA-N -1 3 360.465 3.210 20 0 FGADHM c1ccc(C[C@@H]2CCCN(c3nc4c(cc3-c3nn[n-]n3)CCC4)C2)cc1 ZINC000738429333 598363640 /nfs/dbraw/zinc/36/36/40/598363640.db2.gz XNDCRCJHSGGXLP-INIZCTEOSA-N -1 3 360.465 3.210 20 0 FGADHM CC(C)Oc1ccccc1C(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000735913896 598370600 /nfs/dbraw/zinc/37/06/00/598370600.db2.gz NDGCGCIKVBPUKN-UHFFFAOYSA-N -1 3 356.357 3.150 20 0 FGADHM CC(C)Oc1ccccc1C(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000735913896 598370602 /nfs/dbraw/zinc/37/06/02/598370602.db2.gz NDGCGCIKVBPUKN-UHFFFAOYSA-N -1 3 356.357 3.150 20 0 FGADHM Cn1cc(C(=O)OCc2cccc(-c3nnn[n-]3)c2)c(C2CCCCC2)n1 ZINC000737605981 598371461 /nfs/dbraw/zinc/37/14/61/598371461.db2.gz PFIHZNAMRCQCPB-UHFFFAOYSA-N -1 3 366.425 3.005 20 0 FGADHM Cn1cc(C(=O)OCc2cccc(-c3nn[n-]n3)c2)c(C2CCCCC2)n1 ZINC000737605981 598371463 /nfs/dbraw/zinc/37/14/63/598371463.db2.gz PFIHZNAMRCQCPB-UHFFFAOYSA-N -1 3 366.425 3.005 20 0 FGADHM CC(C)[C@H](C)N(CC(F)(F)F)C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000735703994 598379230 /nfs/dbraw/zinc/37/92/30/598379230.db2.gz YOYHXQSDYDWRDW-LAUAKBEESA-N -1 3 367.375 3.315 20 0 FGADHM CC(C)[C@H](C)N(CC(F)(F)F)C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000735703994 598379232 /nfs/dbraw/zinc/37/92/32/598379232.db2.gz YOYHXQSDYDWRDW-LAUAKBEESA-N -1 3 367.375 3.315 20 0 FGADHM COc1ccc(Cl)cc1CN(C)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000737100649 598388489 /nfs/dbraw/zinc/38/84/89/598388489.db2.gz ZBHRCTKLGMWGAC-UHFFFAOYSA-N -1 3 365.224 3.214 20 0 FGADHM COc1ccc(Cl)cc1CN(C)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000737100649 598388490 /nfs/dbraw/zinc/38/84/90/598388490.db2.gz ZBHRCTKLGMWGAC-UHFFFAOYSA-N -1 3 365.224 3.214 20 0 FGADHM COc1ccc([C@@H](C)Nc2ncc(-c3nnn[n-]3)cc2Cl)cc1OC ZINC000737074512 598390933 /nfs/dbraw/zinc/39/09/33/598390933.db2.gz ITWCXXOVWXPWAD-SECBINFHSA-N -1 3 360.805 3.105 20 0 FGADHM COc1ccc([C@@H](C)Nc2ncc(-c3nn[n-]n3)cc2Cl)cc1OC ZINC000737074512 598390935 /nfs/dbraw/zinc/39/09/35/598390935.db2.gz ITWCXXOVWXPWAD-SECBINFHSA-N -1 3 360.805 3.105 20 0 FGADHM Cc1nc(C)c([C@H](C)N(C)C(=O)C=Cc2ccccc2-c2nnn[n-]2)s1 ZINC000737471486 598400830 /nfs/dbraw/zinc/40/08/30/598400830.db2.gz RKHUNVSRPGPOOK-PRDAAYKISA-N -1 3 368.466 3.173 20 0 FGADHM Cc1nc(C)c([C@H](C)N(C)C(=O)C=Cc2ccccc2-c2nn[n-]n2)s1 ZINC000737471486 598400832 /nfs/dbraw/zinc/40/08/32/598400832.db2.gz RKHUNVSRPGPOOK-PRDAAYKISA-N -1 3 368.466 3.173 20 0 FGADHM Cc1c2c(nc(SCc3cccnc3Cl)c1-c1nnn[n-]1)CCC2 ZINC000737218531 598414484 /nfs/dbraw/zinc/41/44/84/598414484.db2.gz KWTCHOGCQCDBQE-UHFFFAOYSA-N -1 3 358.858 3.400 20 0 FGADHM Cc1c2c(nc(SCc3cccnc3Cl)c1-c1nn[n-]n1)CCC2 ZINC000737218531 598414486 /nfs/dbraw/zinc/41/44/86/598414486.db2.gz KWTCHOGCQCDBQE-UHFFFAOYSA-N -1 3 358.858 3.400 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N1CC[C@@H](c2ccccc2F)C1 ZINC000737802806 598423191 /nfs/dbraw/zinc/42/31/91/598423191.db2.gz XQVIIRGMGOTTMT-FJVVXJACSA-N -1 3 363.396 3.035 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N1CC[C@@H](c2ccccc2F)C1 ZINC000737802806 598423193 /nfs/dbraw/zinc/42/31/93/598423193.db2.gz XQVIIRGMGOTTMT-FJVVXJACSA-N -1 3 363.396 3.035 20 0 FGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H]1CCCC[C@H]1C ZINC000736267715 598428555 /nfs/dbraw/zinc/42/85/55/598428555.db2.gz CFUIHTKJQLYRDG-PBHICJAKSA-N -1 3 356.474 3.365 20 0 FGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H]1CCCC[C@H]1C ZINC000736267715 598428557 /nfs/dbraw/zinc/42/85/57/598428557.db2.gz CFUIHTKJQLYRDG-PBHICJAKSA-N -1 3 356.474 3.365 20 0 FGADHM O=C(Nc1ccccc1Oc1ccccc1)c1ccc(-c2nnn[n-]2)cn1 ZINC000738189584 598436044 /nfs/dbraw/zinc/43/60/44/598436044.db2.gz HXTMDBNAMFCARN-UHFFFAOYSA-N -1 3 358.361 3.306 20 0 FGADHM O=C(Nc1ccccc1Oc1ccccc1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738189584 598436045 /nfs/dbraw/zinc/43/60/45/598436045.db2.gz HXTMDBNAMFCARN-UHFFFAOYSA-N -1 3 358.361 3.306 20 0 FGADHM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)cn1)c1ccc(C(C)(C)C)cc1 ZINC000736116733 598442689 /nfs/dbraw/zinc/44/26/89/598442689.db2.gz CQGNQJOYUNIILB-LBPRGKRZSA-N -1 3 350.426 3.050 20 0 FGADHM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)cn1)c1ccc(C(C)(C)C)cc1 ZINC000736116733 598442690 /nfs/dbraw/zinc/44/26/90/598442690.db2.gz CQGNQJOYUNIILB-LBPRGKRZSA-N -1 3 350.426 3.050 20 0 FGADHM Cc1cc(-c2ccccc2)ccc1NC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000737220559 598443346 /nfs/dbraw/zinc/44/33/46/598443346.db2.gz BZLYCNXATFHHRJ-UHFFFAOYSA-N -1 3 356.389 3.489 20 0 FGADHM Cc1cc(-c2ccccc2)ccc1NC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000737220559 598443349 /nfs/dbraw/zinc/44/33/49/598443349.db2.gz BZLYCNXATFHHRJ-UHFFFAOYSA-N -1 3 356.389 3.489 20 0 FGADHM Cc1ccc2cccc(NC(=O)CCc3ccc(-c4nnn[n-]4)cc3)c2n1 ZINC000737373041 598445706 /nfs/dbraw/zinc/44/57/06/598445706.db2.gz BGRFYVDSCROZEQ-UHFFFAOYSA-N -1 3 358.405 3.295 20 0 FGADHM Cc1ccc2cccc(NC(=O)CCc3ccc(-c4nn[n-]n4)cc3)c2n1 ZINC000737373041 598445707 /nfs/dbraw/zinc/44/57/07/598445707.db2.gz BGRFYVDSCROZEQ-UHFFFAOYSA-N -1 3 358.405 3.295 20 0 FGADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)N1CCC[C@H](c2ccccc2)CC1 ZINC000737960443 598457205 /nfs/dbraw/zinc/45/72/05/598457205.db2.gz HEVKUCLIFXMUBV-SFHVURJKSA-N -1 3 361.449 3.206 20 0 FGADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)N1CCC[C@H](c2ccccc2)CC1 ZINC000737960443 598457206 /nfs/dbraw/zinc/45/72/06/598457206.db2.gz HEVKUCLIFXMUBV-SFHVURJKSA-N -1 3 361.449 3.206 20 0 FGADHM Fc1ccc([C@H]2CN(Cc3cccc(-c4nnn[n-]4)c3)CCO2)cc1Cl ZINC000737648340 598461102 /nfs/dbraw/zinc/46/11/02/598461102.db2.gz IUJVISLXVJKPNL-QGZVFWFLSA-N -1 3 373.819 3.233 20 0 FGADHM Fc1ccc([C@H]2CN(Cc3cccc(-c4nn[n-]n4)c3)CCO2)cc1Cl ZINC000737648340 598461103 /nfs/dbraw/zinc/46/11/03/598461103.db2.gz IUJVISLXVJKPNL-QGZVFWFLSA-N -1 3 373.819 3.233 20 0 FGADHM O[C@H](CNc1ccc(-c2nn[n-]n2)cc1F)c1cccc(C(F)(F)F)c1 ZINC000738380911 598467948 /nfs/dbraw/zinc/46/79/48/598467948.db2.gz DIBDAHNPBXEDNT-CQSZACIVSA-N -1 3 367.306 3.170 20 0 FGADHM O=C(NCC1(c2ccc(Cl)cc2)CC1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000738040942 598468288 /nfs/dbraw/zinc/46/82/88/598468288.db2.gz VDKAYSWVWWRGRW-UHFFFAOYSA-N -1 3 368.828 3.373 20 0 FGADHM O=C(NCC1(c2ccc(Cl)cc2)CC1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000738040942 598468289 /nfs/dbraw/zinc/46/82/89/598468289.db2.gz VDKAYSWVWWRGRW-UHFFFAOYSA-N -1 3 368.828 3.373 20 0 FGADHM C[C@H](OC(=O)c1ccc(-c2cnco2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000736158406 598483012 /nfs/dbraw/zinc/48/30/12/598483012.db2.gz HMKROUIDCTYYBE-LBPRGKRZSA-N -1 3 361.361 3.440 20 0 FGADHM C[C@H](OC(=O)c1ccc(-c2cnco2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000736158406 598483013 /nfs/dbraw/zinc/48/30/13/598483013.db2.gz HMKROUIDCTYYBE-LBPRGKRZSA-N -1 3 361.361 3.440 20 0 FGADHM Cc1nn(-c2ccccc2)cc1C(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000737508976 598483696 /nfs/dbraw/zinc/48/36/96/598483696.db2.gz JOXICPUSOHACKQ-AWEZNQCLSA-N -1 3 374.404 3.279 20 0 FGADHM Cc1nn(-c2ccccc2)cc1C(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000737508976 598483698 /nfs/dbraw/zinc/48/36/98/598483698.db2.gz JOXICPUSOHACKQ-AWEZNQCLSA-N -1 3 374.404 3.279 20 0 FGADHM Cc1ccc(C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)c(Cl)n1 ZINC000737314728 598487182 /nfs/dbraw/zinc/48/71/82/598487182.db2.gz GQXHRKUKIBCSOV-UHFFFAOYSA-N -1 3 359.821 3.032 20 0 FGADHM Cc1ccc(C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)c(Cl)n1 ZINC000737314728 598487184 /nfs/dbraw/zinc/48/71/84/598487184.db2.gz GQXHRKUKIBCSOV-UHFFFAOYSA-N -1 3 359.821 3.032 20 0 FGADHM COc1ccc2cc(C(=O)O[C@@H](C)c3cccc(-c4nnn[n-]4)c3)[nH]c2c1 ZINC000737119093 598489302 /nfs/dbraw/zinc/48/93/02/598489302.db2.gz NHKAEEIXXFRTKC-NSHDSACASA-N -1 3 363.377 3.275 20 0 FGADHM COc1ccc2cc(C(=O)O[C@@H](C)c3cccc(-c4nn[n-]n4)c3)[nH]c2c1 ZINC000737119093 598489304 /nfs/dbraw/zinc/48/93/04/598489304.db2.gz NHKAEEIXXFRTKC-NSHDSACASA-N -1 3 363.377 3.275 20 0 FGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)c1ccc2ncccc2c1 ZINC000735662095 598489463 /nfs/dbraw/zinc/48/94/63/598489463.db2.gz PWWAJBANGSBXBX-UHFFFAOYSA-N -1 3 361.409 3.224 20 0 FGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)c1ccc2ncccc2c1 ZINC000735662095 598489465 /nfs/dbraw/zinc/48/94/65/598489465.db2.gz PWWAJBANGSBXBX-UHFFFAOYSA-N -1 3 361.409 3.224 20 0 FGADHM Cc1ccc(CC(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)cc1C ZINC000737331235 598491056 /nfs/dbraw/zinc/49/10/56/598491056.db2.gz XILYZAOYWNSGGG-UHFFFAOYSA-N -1 3 352.442 3.221 20 0 FGADHM Cc1ccc(CC(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)cc1C ZINC000737331235 598491057 /nfs/dbraw/zinc/49/10/57/598491057.db2.gz XILYZAOYWNSGGG-UHFFFAOYSA-N -1 3 352.442 3.221 20 0 FGADHM COc1ccc(C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000737071338 598516273 /nfs/dbraw/zinc/51/62/73/598516273.db2.gz IENGVDQPYCMGQU-JTQLQIEISA-N -1 3 358.785 3.447 20 0 FGADHM COc1ccc(C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000737071338 598516275 /nfs/dbraw/zinc/51/62/75/598516275.db2.gz IENGVDQPYCMGQU-JTQLQIEISA-N -1 3 358.785 3.447 20 0 FGADHM CCc1c(C)sc(NC(=O)c2cc(OC)cc(OC)c2)c1-c1nnn[n-]1 ZINC000736676255 598519202 /nfs/dbraw/zinc/51/92/02/598519202.db2.gz PVABWSXVXNUSBX-UHFFFAOYSA-N -1 3 373.438 3.069 20 0 FGADHM CCc1c(C)sc(NC(=O)c2cc(OC)cc(OC)c2)c1-c1nn[n-]n1 ZINC000736676255 598519203 /nfs/dbraw/zinc/51/92/03/598519203.db2.gz PVABWSXVXNUSBX-UHFFFAOYSA-N -1 3 373.438 3.069 20 0 FGADHM CCC[C@@H](Cc1ccccc1)NC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736426481 598527361 /nfs/dbraw/zinc/52/73/61/598527361.db2.gz QAIMXHMDDATKML-INIZCTEOSA-N -1 3 350.426 3.400 20 0 FGADHM CCC[C@@H](Cc1ccccc1)NC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736426481 598527363 /nfs/dbraw/zinc/52/73/63/598527363.db2.gz QAIMXHMDDATKML-INIZCTEOSA-N -1 3 350.426 3.400 20 0 FGADHM CCCC[C@@H]1CCC[C@H]1NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC000736440774 598534728 /nfs/dbraw/zinc/53/47/28/598534728.db2.gz GXPGEEOEJLCIRI-TZMCWYRMSA-N -1 3 358.446 3.356 20 0 FGADHM CCCC[C@@H]1CCC[C@H]1NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC000736440774 598534729 /nfs/dbraw/zinc/53/47/29/598534729.db2.gz GXPGEEOEJLCIRI-TZMCWYRMSA-N -1 3 358.446 3.356 20 0 FGADHM Cc1ccc(C[C@@H](C)NC(=O)Nc2ccc(-c3nnn[n-]3)cc2)c(C)c1 ZINC000737336114 598540864 /nfs/dbraw/zinc/54/08/64/598540864.db2.gz XJENMYKYEVBIFK-CQSZACIVSA-N -1 3 350.426 3.236 20 0 FGADHM Cc1ccc(C[C@@H](C)NC(=O)Nc2ccc(-c3nn[n-]n3)cc2)c(C)c1 ZINC000737336114 598540865 /nfs/dbraw/zinc/54/08/65/598540865.db2.gz XJENMYKYEVBIFK-CQSZACIVSA-N -1 3 350.426 3.236 20 0 FGADHM Cc1ccc(C)c(CC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(C)C)c1 ZINC000737320997 598541053 /nfs/dbraw/zinc/54/10/53/598541053.db2.gz AQIGJKXTRPLMBF-UHFFFAOYSA-N -1 3 365.437 3.452 20 0 FGADHM Cc1ccc(C)c(CC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(C)C)c1 ZINC000737320997 598541055 /nfs/dbraw/zinc/54/10/55/598541055.db2.gz AQIGJKXTRPLMBF-UHFFFAOYSA-N -1 3 365.437 3.452 20 0 FGADHM Cc1cc(OCc2cccc(-c3nnn[n-]3)c2)ccc1NC(=O)[C@@H]1C[C@@H]1C ZINC000737280925 598542062 /nfs/dbraw/zinc/54/20/62/598542062.db2.gz VYSSILFLFQLDKL-YVEFUNNKSA-N -1 3 363.421 3.349 20 0 FGADHM Cc1cc(OCc2cccc(-c3nn[n-]n3)c2)ccc1NC(=O)[C@@H]1C[C@@H]1C ZINC000737280925 598542067 /nfs/dbraw/zinc/54/20/67/598542067.db2.gz VYSSILFLFQLDKL-YVEFUNNKSA-N -1 3 363.421 3.349 20 0 FGADHM O=C(Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)C1=COCCC1 ZINC000738171090 598554118 /nfs/dbraw/zinc/55/41/18/598554118.db2.gz AOHRVKAVHUHZQE-UHFFFAOYSA-N -1 3 363.377 3.292 20 0 FGADHM O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)C1=COCCC1 ZINC000738171090 598554120 /nfs/dbraw/zinc/55/41/20/598554120.db2.gz AOHRVKAVHUHZQE-UHFFFAOYSA-N -1 3 363.377 3.292 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccccc1OCC(C)C ZINC000737294010 598554293 /nfs/dbraw/zinc/55/42/93/598554293.db2.gz JMKSQTVSJFLITR-UHFFFAOYSA-N -1 3 351.410 3.462 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccccc1OCC(C)C ZINC000737294010 598554294 /nfs/dbraw/zinc/55/42/94/598554294.db2.gz JMKSQTVSJFLITR-UHFFFAOYSA-N -1 3 351.410 3.462 20 0 FGADHM C[C@H]1CCCC[C@H]1NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000736273794 598560483 /nfs/dbraw/zinc/56/04/83/598560483.db2.gz RUCLSHLCBSVUIR-GXSJLCMTSA-N -1 3 366.372 3.168 20 0 FGADHM C[C@H]1CCCC[C@H]1NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000736273794 598560484 /nfs/dbraw/zinc/56/04/84/598560484.db2.gz RUCLSHLCBSVUIR-GXSJLCMTSA-N -1 3 366.372 3.168 20 0 FGADHM CN(CC1CCCC1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000736792345 598561879 /nfs/dbraw/zinc/56/18/79/598561879.db2.gz DJBFCDIXXXYFRU-UHFFFAOYSA-N -1 3 366.372 3.122 20 0 FGADHM CN(CC1CCCC1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000736792345 598561881 /nfs/dbraw/zinc/56/18/81/598561881.db2.gz DJBFCDIXXXYFRU-UHFFFAOYSA-N -1 3 366.372 3.122 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000737290800 598568505 /nfs/dbraw/zinc/56/85/05/598568505.db2.gz GHABLWHSHSEUQD-OLZOCXBDSA-N -1 3 355.348 3.196 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000737290800 598568508 /nfs/dbraw/zinc/56/85/08/598568508.db2.gz GHABLWHSHSEUQD-OLZOCXBDSA-N -1 3 355.348 3.196 20 0 FGADHM Cc1cc(C)n(CCCNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)n1 ZINC000737256068 598571525 /nfs/dbraw/zinc/57/15/25/598571525.db2.gz GLCUBCUTGCZMCB-UHFFFAOYSA-N -1 3 365.363 3.201 20 0 FGADHM Cc1cc(C)n(CCCNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)n1 ZINC000737256068 598571526 /nfs/dbraw/zinc/57/15/26/598571526.db2.gz GLCUBCUTGCZMCB-UHFFFAOYSA-N -1 3 365.363 3.201 20 0 FGADHM FC(F)(F)c1cc(NC[C@@H]2Cc3ccccc3O2)ccc1-c1nnn[n-]1 ZINC000737633214 598573976 /nfs/dbraw/zinc/57/39/76/598573976.db2.gz PFSBEEGXGGQVPR-LBPRGKRZSA-N -1 3 361.327 3.301 20 0 FGADHM FC(F)(F)c1cc(NC[C@@H]2Cc3ccccc3O2)ccc1-c1nn[n-]n1 ZINC000737633214 598573978 /nfs/dbraw/zinc/57/39/78/598573978.db2.gz PFSBEEGXGGQVPR-LBPRGKRZSA-N -1 3 361.327 3.301 20 0 FGADHM Cc1ccc(OCCC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1C ZINC000737364549 598587909 /nfs/dbraw/zinc/58/79/09/598587909.db2.gz FTUGDUFMAVUKLH-UHFFFAOYSA-N -1 3 355.373 3.030 20 0 FGADHM Cc1ccc(OCCC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1C ZINC000737364549 598587911 /nfs/dbraw/zinc/58/79/11/598587911.db2.gz FTUGDUFMAVUKLH-UHFFFAOYSA-N -1 3 355.373 3.030 20 0 FGADHM Cc1oc(-c2ccccc2)nc1C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737546994 598590917 /nfs/dbraw/zinc/59/09/17/598590917.db2.gz FWCHSODOAOWZQD-UHFFFAOYSA-N -1 3 364.340 3.222 20 0 FGADHM Cc1oc(-c2ccccc2)nc1C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737546994 598590919 /nfs/dbraw/zinc/59/09/19/598590919.db2.gz FWCHSODOAOWZQD-UHFFFAOYSA-N -1 3 364.340 3.222 20 0 FGADHM C[C@@H]1C[C@@H]1C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000736236902 598593502 /nfs/dbraw/zinc/59/35/02/598593502.db2.gz TWPYDPINSSCYPM-ABAIWWIYSA-N -1 3 367.384 3.179 20 0 FGADHM C[C@@H]1C[C@@H]1C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000736236902 598593503 /nfs/dbraw/zinc/59/35/03/598593503.db2.gz TWPYDPINSSCYPM-ABAIWWIYSA-N -1 3 367.384 3.179 20 0 FGADHM CCC(CC)CN(CC)C(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000736336221 598594913 /nfs/dbraw/zinc/59/49/13/598594913.db2.gz AZMSMGKOCLOFJX-GOSISDBHSA-N -1 3 370.501 3.120 20 0 FGADHM C[C@H](CN(C)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000735997789 598625960 /nfs/dbraw/zinc/62/59/60/598625960.db2.gz FXQYVFPMVSKIRM-GFCCVEGCSA-N -1 3 354.389 3.273 20 0 FGADHM C[C@H](CN(C)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000735997789 598625962 /nfs/dbraw/zinc/62/59/62/598625962.db2.gz FXQYVFPMVSKIRM-GFCCVEGCSA-N -1 3 354.389 3.273 20 0 FGADHM C[C@@H](Cc1ccccc1Cl)NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736058390 598627438 /nfs/dbraw/zinc/62/74/38/598627438.db2.gz MACZJWNRFCSBLY-JTQLQIEISA-N -1 3 374.807 3.412 20 0 FGADHM C[C@@H](Cc1ccccc1Cl)NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736058390 598627440 /nfs/dbraw/zinc/62/74/40/598627440.db2.gz MACZJWNRFCSBLY-JTQLQIEISA-N -1 3 374.807 3.412 20 0 FGADHM O=C(NCc1ccc(Cl)s1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738103513 598628063 /nfs/dbraw/zinc/62/80/63/598628063.db2.gz KQEDQRXBQQVNLY-UHFFFAOYSA-N -1 3 352.782 3.042 20 0 FGADHM O=C(NCc1ccc(Cl)s1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738103513 598628065 /nfs/dbraw/zinc/62/80/65/598628065.db2.gz KQEDQRXBQQVNLY-UHFFFAOYSA-N -1 3 352.782 3.042 20 0 FGADHM CC(C)(C)OC(=O)NCc1cccc(Nc2ccc(-c3nnn[n-]3)cn2)c1 ZINC000735639684 598628400 /nfs/dbraw/zinc/62/84/00/598628400.db2.gz NBBUJPSHMFBEHZ-UHFFFAOYSA-N -1 3 367.413 3.030 20 0 FGADHM CC(C)(C)OC(=O)NCc1cccc(Nc2ccc(-c3nn[n-]n3)cn2)c1 ZINC000735639684 598628401 /nfs/dbraw/zinc/62/84/01/598628401.db2.gz NBBUJPSHMFBEHZ-UHFFFAOYSA-N -1 3 367.413 3.030 20 0 FGADHM COc1ccc(CCNc2c(Cl)cccc2-c2nnn[n-]2)cc1OC ZINC000737090973 598629285 /nfs/dbraw/zinc/62/92/85/598629285.db2.gz YLJWXYSBXHZSCT-UHFFFAOYSA-N -1 3 359.817 3.192 20 0 FGADHM COc1ccc(CCNc2c(Cl)cccc2-c2nn[n-]n2)cc1OC ZINC000737090973 598629287 /nfs/dbraw/zinc/62/92/87/598629287.db2.gz YLJWXYSBXHZSCT-UHFFFAOYSA-N -1 3 359.817 3.192 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000738167189 598632087 /nfs/dbraw/zinc/63/20/87/598632087.db2.gz OCHUCPPJCZZZIJ-IUCAKERBSA-N -1 3 372.326 3.248 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000738167189 598632089 /nfs/dbraw/zinc/63/20/89/598632089.db2.gz OCHUCPPJCZZZIJ-IUCAKERBSA-N -1 3 372.326 3.248 20 0 FGADHM Clc1cc(NCc2ccnc(N3CCCC3)c2)ccc1-c1nnn[n-]1 ZINC000737564782 598637680 /nfs/dbraw/zinc/63/76/80/598637680.db2.gz KAJJSQGJRVZJIR-UHFFFAOYSA-N -1 3 355.833 3.127 20 0 FGADHM Clc1cc(NCc2ccnc(N3CCCC3)c2)ccc1-c1nn[n-]n1 ZINC000737564782 598637682 /nfs/dbraw/zinc/63/76/82/598637682.db2.gz KAJJSQGJRVZJIR-UHFFFAOYSA-N -1 3 355.833 3.127 20 0 FGADHM C[C@@H](NC(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)cc1 ZINC000736109894 598648240 /nfs/dbraw/zinc/64/82/40/598648240.db2.gz BSQSRNJPIPDTCW-LLVKDONJSA-N -1 3 373.869 3.490 20 0 FGADHM C[C@@H](NC(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)cc1 ZINC000736109894 598648241 /nfs/dbraw/zinc/64/82/41/598648241.db2.gz BSQSRNJPIPDTCW-LLVKDONJSA-N -1 3 373.869 3.490 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)c1ccc(C)c(Cl)c1 ZINC000736626325 598648262 /nfs/dbraw/zinc/64/82/62/598648262.db2.gz GPGONCBWNUPPOY-UHFFFAOYSA-N -1 3 358.785 3.446 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)c1ccc(C)c(Cl)c1 ZINC000736626325 598648264 /nfs/dbraw/zinc/64/82/64/598648264.db2.gz GPGONCBWNUPPOY-UHFFFAOYSA-N -1 3 358.785 3.446 20 0 FGADHM CC(C)[C@@H](C)NC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735707586 598648775 /nfs/dbraw/zinc/64/87/75/598648775.db2.gz JDTMGJZMFXKPPW-CYBMUJFWSA-N -1 3 351.410 3.433 20 0 FGADHM CC(C)[C@@H](C)NC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735707586 598648776 /nfs/dbraw/zinc/64/87/76/598648776.db2.gz JDTMGJZMFXKPPW-CYBMUJFWSA-N -1 3 351.410 3.433 20 0 FGADHM CC(=CC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1)c1cccc(F)c1 ZINC000735448006 598649222 /nfs/dbraw/zinc/64/92/22/598649222.db2.gz HAUMXDYIDKMYHU-LCYFTJDESA-N -1 3 351.385 3.068 20 0 FGADHM CC(=CC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1)c1cccc(F)c1 ZINC000735448006 598649223 /nfs/dbraw/zinc/64/92/23/598649223.db2.gz HAUMXDYIDKMYHU-LCYFTJDESA-N -1 3 351.385 3.068 20 0 FGADHM CC(C)(C)CNC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735618096 598654378 /nfs/dbraw/zinc/65/43/78/598654378.db2.gz HFKXHOFUGLEGIG-UHFFFAOYSA-N -1 3 351.410 3.435 20 0 FGADHM CC(C)(C)CNC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735618096 598654380 /nfs/dbraw/zinc/65/43/80/598654380.db2.gz HFKXHOFUGLEGIG-UHFFFAOYSA-N -1 3 351.410 3.435 20 0 FGADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)Oc1cc(F)cc(F)c1 ZINC000737841963 598656701 /nfs/dbraw/zinc/65/67/01/598656701.db2.gz RCSGRNCQCIVTBJ-UHFFFAOYSA-N -1 3 374.347 3.300 20 0 FGADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)Oc1cc(F)cc(F)c1 ZINC000737841963 598656703 /nfs/dbraw/zinc/65/67/03/598656703.db2.gz RCSGRNCQCIVTBJ-UHFFFAOYSA-N -1 3 374.347 3.300 20 0 FGADHM COc1ccccc1[C@@H](C)CC(=O)N(C)c1cccc(-c2nnn[n-]2)c1 ZINC000737142349 598657333 /nfs/dbraw/zinc/65/73/33/598657333.db2.gz MYQHVNRMXYHHIA-ZDUSSCGKSA-N -1 3 351.410 3.032 20 0 FGADHM COc1ccccc1[C@@H](C)CC(=O)N(C)c1cccc(-c2nn[n-]n2)c1 ZINC000737142349 598657335 /nfs/dbraw/zinc/65/73/35/598657335.db2.gz MYQHVNRMXYHHIA-ZDUSSCGKSA-N -1 3 351.410 3.032 20 0 FGADHM CCc1c(C)sc(NC(=O)c2cc(F)c(F)c(F)c2)c1-c1nnn[n-]1 ZINC000736675149 598657735 /nfs/dbraw/zinc/65/77/35/598657735.db2.gz FNRAEBJKLJIANF-UHFFFAOYSA-N -1 3 367.356 3.469 20 0 FGADHM CCc1c(C)sc(NC(=O)c2cc(F)c(F)c(F)c2)c1-c1nn[n-]n1 ZINC000736675149 598657736 /nfs/dbraw/zinc/65/77/36/598657736.db2.gz FNRAEBJKLJIANF-UHFFFAOYSA-N -1 3 367.356 3.469 20 0 FGADHM CC(C)[C@@H](SCc1ccccc1)C(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000735735619 598661617 /nfs/dbraw/zinc/66/16/17/598661617.db2.gz OHURLJCMXPPQBM-MRXNPFEDSA-N -1 3 368.466 3.158 20 0 FGADHM CC(C)[C@@H](SCc1ccccc1)C(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000735735619 598661619 /nfs/dbraw/zinc/66/16/19/598661619.db2.gz OHURLJCMXPPQBM-MRXNPFEDSA-N -1 3 368.466 3.158 20 0 FGADHM O=C(Cc1cccnc1)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737974430 598665631 /nfs/dbraw/zinc/66/56/31/598665631.db2.gz AOZXZPPVMCSGFN-UHFFFAOYSA-N -1 3 372.388 3.235 20 0 FGADHM O=C(Cc1cccnc1)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737974430 598665633 /nfs/dbraw/zinc/66/56/33/598665633.db2.gz AOZXZPPVMCSGFN-UHFFFAOYSA-N -1 3 372.388 3.235 20 0 FGADHM Fc1ccc(CN(Cc2ccco2)Cc2ccco2)c(-c2nnn[n-]2)c1 ZINC000737646896 598679243 /nfs/dbraw/zinc/67/92/43/598679243.db2.gz AWEWHCODTVTNIA-UHFFFAOYSA-N -1 3 353.357 3.394 20 0 FGADHM Fc1ccc(CN(Cc2ccco2)Cc2ccco2)c(-c2nn[n-]n2)c1 ZINC000737646896 598679245 /nfs/dbraw/zinc/67/92/45/598679245.db2.gz AWEWHCODTVTNIA-UHFFFAOYSA-N -1 3 353.357 3.394 20 0 FGADHM CC(=O)Nc1ccc(Cl)c(NCc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000735488055 598699409 /nfs/dbraw/zinc/69/94/09/598699409.db2.gz HKHVWPUFAJSXJY-UHFFFAOYSA-N -1 3 360.780 3.230 20 0 FGADHM CC(=O)Nc1ccc(Cl)c(NCc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000735488055 598699411 /nfs/dbraw/zinc/69/94/11/598699411.db2.gz HKHVWPUFAJSXJY-UHFFFAOYSA-N -1 3 360.780 3.230 20 0 FGADHM O=C1CCCN1c1ccc(Cl)c(NCc2ccccc2-c2nnn[n-]2)c1 ZINC000738304535 598701235 /nfs/dbraw/zinc/70/12/35/598701235.db2.gz OARJGAHSOXXNHW-UHFFFAOYSA-N -1 3 368.828 3.259 20 0 FGADHM O=C1CCCN1c1ccc(Cl)c(NCc2ccccc2-c2nn[n-]n2)c1 ZINC000738304535 598701237 /nfs/dbraw/zinc/70/12/37/598701237.db2.gz OARJGAHSOXXNHW-UHFFFAOYSA-N -1 3 368.828 3.259 20 0 FGADHM O=C(Cc1ccc2ccccc2c1)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737965575 598705596 /nfs/dbraw/zinc/70/55/96/598705596.db2.gz AGRVROUXPUYGJV-UHFFFAOYSA-N -1 3 362.364 3.445 20 0 FGADHM O=C(Cc1ccc2ccccc2c1)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737965575 598705597 /nfs/dbraw/zinc/70/55/97/598705597.db2.gz AGRVROUXPUYGJV-UHFFFAOYSA-N -1 3 362.364 3.445 20 0 FGADHM CCn1cc(C(=O)OCc2ccc(F)cc2-c2nnn[n-]2)c2ccccc21 ZINC000736717791 598706273 /nfs/dbraw/zinc/70/62/73/598706273.db2.gz DLVBCWKWIDSALE-UHFFFAOYSA-N -1 3 365.368 3.337 20 0 FGADHM CCn1cc(C(=O)OCc2ccc(F)cc2-c2nn[n-]n2)c2ccccc21 ZINC000736717791 598706274 /nfs/dbraw/zinc/70/62/74/598706274.db2.gz DLVBCWKWIDSALE-UHFFFAOYSA-N -1 3 365.368 3.337 20 0 FGADHM Cc1cc(C)cc(C2(C(=O)OCc3ccc(F)cc3-c3nnn[n-]3)CC2)c1 ZINC000737251893 598709889 /nfs/dbraw/zinc/70/98/89/598709889.db2.gz FPFZHAFISSXINL-UHFFFAOYSA-N -1 3 366.396 3.398 20 0 FGADHM Cc1cc(C)cc(C2(C(=O)OCc3ccc(F)cc3-c3nn[n-]n3)CC2)c1 ZINC000737251893 598709891 /nfs/dbraw/zinc/70/98/91/598709891.db2.gz FPFZHAFISSXINL-UHFFFAOYSA-N -1 3 366.396 3.398 20 0 FGADHM Cc1ccc(C(=O)OCCOc2cccc(-c3nnn[n-]3)c2)cc1Cl ZINC000737317813 598713823 /nfs/dbraw/zinc/71/38/23/598713823.db2.gz NRSMEMRBZDMNJE-UHFFFAOYSA-N -1 3 358.785 3.064 20 0 FGADHM Cc1ccc(C(=O)OCCOc2cccc(-c3nn[n-]n3)c2)cc1Cl ZINC000737317813 598713824 /nfs/dbraw/zinc/71/38/24/598713824.db2.gz NRSMEMRBZDMNJE-UHFFFAOYSA-N -1 3 358.785 3.064 20 0 FGADHM Cc1cc(C)cc(COC(=O)CSc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737250211 598714906 /nfs/dbraw/zinc/71/49/06/598714906.db2.gz KHYROUUUTBJUNS-UHFFFAOYSA-N -1 3 354.435 3.319 20 0 FGADHM Cc1cc(C)cc(COC(=O)CSc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737250211 598714907 /nfs/dbraw/zinc/71/49/07/598714907.db2.gz KHYROUUUTBJUNS-UHFFFAOYSA-N -1 3 354.435 3.319 20 0 FGADHM Cc1nc2c(s1)[C@@H](N(C)C(=O)Nc1cccc(-c3nnn[n-]3)c1)CCC2 ZINC000737488636 598715761 /nfs/dbraw/zinc/71/57/61/598715761.db2.gz UANHIAHMCZIVMA-AWEZNQCLSA-N -1 3 369.454 3.173 20 0 FGADHM Cc1nc2c(s1)[C@@H](N(C)C(=O)Nc1cccc(-c3nn[n-]n3)c1)CCC2 ZINC000737488636 598715762 /nfs/dbraw/zinc/71/57/62/598715762.db2.gz UANHIAHMCZIVMA-AWEZNQCLSA-N -1 3 369.454 3.173 20 0 FGADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)N[C@H]1CCC[C@@H]1c1ccccc1 ZINC000738117942 598716341 /nfs/dbraw/zinc/71/63/41/598716341.db2.gz ZOMAQQRKLPQJKK-MSOLQXFVSA-N -1 3 362.437 3.002 20 0 FGADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)N[C@H]1CCC[C@@H]1c1ccccc1 ZINC000738117942 598716343 /nfs/dbraw/zinc/71/63/43/598716343.db2.gz ZOMAQQRKLPQJKK-MSOLQXFVSA-N -1 3 362.437 3.002 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N(Cc1cccnc1)C1CC1 ZINC000738143993 598725102 /nfs/dbraw/zinc/72/51/02/598725102.db2.gz IJLJQSKESONNIH-UHFFFAOYSA-N -1 3 369.816 3.112 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N(Cc1cccnc1)C1CC1 ZINC000738143993 598725104 /nfs/dbraw/zinc/72/51/04/598725104.db2.gz IJLJQSKESONNIH-UHFFFAOYSA-N -1 3 369.816 3.112 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCCC2(CCCCC2)C1 ZINC000737061317 598730815 /nfs/dbraw/zinc/73/08/15/598730815.db2.gz AFMKFXUZMVQXLG-UHFFFAOYSA-N -1 3 370.457 3.454 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCCC2(CCCCC2)C1 ZINC000737061317 598730816 /nfs/dbraw/zinc/73/08/16/598730816.db2.gz AFMKFXUZMVQXLG-UHFFFAOYSA-N -1 3 370.457 3.454 20 0 FGADHM CC/C=C/COC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000736413527 598735441 /nfs/dbraw/zinc/73/54/41/598735441.db2.gz ZPLRYOWYVJCADR-ONEGZZNKSA-N -1 3 351.366 3.177 20 0 FGADHM CC/C=C/COC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000736413527 598735442 /nfs/dbraw/zinc/73/54/42/598735442.db2.gz ZPLRYOWYVJCADR-ONEGZZNKSA-N -1 3 351.366 3.177 20 0 FGADHM Cc1ccccc1CCC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000737425852 598738050 /nfs/dbraw/zinc/73/80/50/598738050.db2.gz FFUYEZCVGAGICK-UHFFFAOYSA-N -1 3 373.363 3.348 20 0 FGADHM Cc1ccccc1CCC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000737425852 598738051 /nfs/dbraw/zinc/73/80/51/598738051.db2.gz FFUYEZCVGAGICK-UHFFFAOYSA-N -1 3 373.363 3.348 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ncoc1-c1ccccc1 ZINC000738151048 598742250 /nfs/dbraw/zinc/74/22/50/598742250.db2.gz FRHSINSVEOSNEN-UHFFFAOYSA-N -1 3 366.768 3.427 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ncoc1-c1ccccc1 ZINC000738151048 598742252 /nfs/dbraw/zinc/74/22/52/598742252.db2.gz FRHSINSVEOSNEN-UHFFFAOYSA-N -1 3 366.768 3.427 20 0 FGADHM CC(C)CC(CC(C)C)NC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000735762105 598748283 /nfs/dbraw/zinc/74/82/83/598748283.db2.gz VCMHUOISMBMERQ-CQSZACIVSA-N -1 3 359.474 3.211 20 0 FGADHM CC(C)CC(CC(C)C)NC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000735762105 598748285 /nfs/dbraw/zinc/74/82/85/598748285.db2.gz VCMHUOISMBMERQ-CQSZACIVSA-N -1 3 359.474 3.211 20 0 FGADHM O=C(OCc1cc(-c2nnn[n-]2)ccc1F)c1ncoc1-c1ccccc1 ZINC000738236866 598751459 /nfs/dbraw/zinc/75/14/59/598751459.db2.gz STKNIQKVWUBRDN-UHFFFAOYSA-N -1 3 365.324 3.018 20 0 FGADHM O=C(OCc1cc(-c2nn[n-]n2)ccc1F)c1ncoc1-c1ccccc1 ZINC000738236866 598751460 /nfs/dbraw/zinc/75/14/60/598751460.db2.gz STKNIQKVWUBRDN-UHFFFAOYSA-N -1 3 365.324 3.018 20 0 FGADHM O=C(Oc1ccc(Br)c(F)c1)c1sccc1-c1nnn[n-]1 ZINC000738251398 598765326 /nfs/dbraw/zinc/76/53/26/598765326.db2.gz NLNBMROYRANEIG-UHFFFAOYSA-N -1 3 369.175 3.049 20 0 FGADHM Clc1ccccc1[C@H]1CN(Cc2cccc(-c3nnn[n-]3)c2)CCO1 ZINC000737584548 598765286 /nfs/dbraw/zinc/76/52/86/598765286.db2.gz RWCHPQVGPBNOSQ-QGZVFWFLSA-N -1 3 355.829 3.094 20 0 FGADHM Clc1ccccc1[C@H]1CN(Cc2cccc(-c3nn[n-]n3)c2)CCO1 ZINC000737584548 598765288 /nfs/dbraw/zinc/76/52/88/598765288.db2.gz RWCHPQVGPBNOSQ-QGZVFWFLSA-N -1 3 355.829 3.094 20 0 FGADHM Cc1ncc(CN(C)c2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)s1 ZINC000737492516 598771928 /nfs/dbraw/zinc/77/19/28/598771928.db2.gz UGAUOVCWDMIJSF-UHFFFAOYSA-N -1 3 373.392 3.094 20 0 FGADHM Cc1ncc(CN(C)c2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)s1 ZINC000737492516 598771930 /nfs/dbraw/zinc/77/19/30/598771930.db2.gz UGAUOVCWDMIJSF-UHFFFAOYSA-N -1 3 373.392 3.094 20 0 FGADHM Brc1ccc2c(c1)N(Cc1ccccc1-c1nnn[n-]1)CC2 ZINC000735369846 598776598 /nfs/dbraw/zinc/77/65/98/598776598.db2.gz YHZAQFKTTLIIRW-UHFFFAOYSA-N -1 3 356.227 3.192 20 0 FGADHM Brc1ccc2c(c1)N(Cc1ccccc1-c1nn[n-]n1)CC2 ZINC000735369846 598776600 /nfs/dbraw/zinc/77/66/00/598776600.db2.gz YHZAQFKTTLIIRW-UHFFFAOYSA-N -1 3 356.227 3.192 20 0 FGADHM c1ccc(-c2nnn[n-]2)c(COc2ccc(-c3noc(C4CC4)n3)cc2)c1 ZINC000738423690 598789601 /nfs/dbraw/zinc/78/96/01/598789601.db2.gz SNINZPKMZXGPPW-UHFFFAOYSA-N -1 3 360.377 3.373 20 0 FGADHM c1ccc(-c2nn[n-]n2)c(COc2ccc(-c3noc(C4CC4)n3)cc2)c1 ZINC000738423690 598789602 /nfs/dbraw/zinc/78/96/02/598789602.db2.gz SNINZPKMZXGPPW-UHFFFAOYSA-N -1 3 360.377 3.373 20 0 FGADHM Cc1nn(-c2ccccc2)c(COc2cc(F)ccc2F)c1-c1nnn[n-]1 ZINC000737502984 598789706 /nfs/dbraw/zinc/78/97/06/598789706.db2.gz FAJKACKTXCCNAF-UHFFFAOYSA-N -1 3 368.347 3.218 20 0 FGADHM CSc1ccc(N(C)C(=O)CCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737192508 598792099 /nfs/dbraw/zinc/79/20/99/598792099.db2.gz ZBTTYMMCNUFROC-UHFFFAOYSA-N -1 3 353.451 3.184 20 0 FGADHM CSc1ccc(N(C)C(=O)CCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737192508 598792100 /nfs/dbraw/zinc/79/21/00/598792100.db2.gz ZBTTYMMCNUFROC-UHFFFAOYSA-N -1 3 353.451 3.184 20 0 FGADHM COc1cccc(N2CC[C@@H](Nc3ccc(Cl)cc3-c3nnn[n-]3)C2)c1 ZINC000737138951 598796190 /nfs/dbraw/zinc/79/61/90/598796190.db2.gz ISDJILAGXOPUQG-CYBMUJFWSA-N -1 3 370.844 3.220 20 0 FGADHM COc1cccc(N2CC[C@@H](Nc3ccc(Cl)cc3-c3nn[n-]n3)C2)c1 ZINC000737138951 598796192 /nfs/dbraw/zinc/79/61/92/598796192.db2.gz ISDJILAGXOPUQG-CYBMUJFWSA-N -1 3 370.844 3.220 20 0 FGADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)N[C@@H](c1ccccc1)C1CCC1 ZINC000738117951 598801628 /nfs/dbraw/zinc/80/16/28/598801628.db2.gz ZQMRUWPFQJCGQJ-SFHVURJKSA-N -1 3 362.437 3.207 20 0 FGADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)N[C@@H](c1ccccc1)C1CCC1 ZINC000738117951 598801629 /nfs/dbraw/zinc/80/16/29/598801629.db2.gz ZQMRUWPFQJCGQJ-SFHVURJKSA-N -1 3 362.437 3.207 20 0 FGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)CO[C@@H]1CCCC[C@H]1C ZINC000735904787 598803712 /nfs/dbraw/zinc/80/37/12/598803712.db2.gz BIPUOLCLPNFWHW-CZUORRHYSA-N -1 3 373.457 3.188 20 0 FGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)CO[C@@H]1CCCC[C@H]1C ZINC000735904787 598803713 /nfs/dbraw/zinc/80/37/13/598803713.db2.gz BIPUOLCLPNFWHW-CZUORRHYSA-N -1 3 373.457 3.188 20 0 FGADHM Cc1cc(C)c(-c2nnn[n-]2)c(NCc2ccccc2OC2CCC2)n1 ZINC000737240917 599305556 /nfs/dbraw/zinc/30/55/56/599305556.db2.gz NEWNEUZEMGPFDE-UHFFFAOYSA-N -1 3 350.426 3.422 20 0 FGADHM Cc1cc(C)c(-c2nn[n-]n2)c(NCc2ccccc2OC2CCC2)n1 ZINC000737240917 599305559 /nfs/dbraw/zinc/30/55/59/599305559.db2.gz NEWNEUZEMGPFDE-UHFFFAOYSA-N -1 3 350.426 3.422 20 0 FGADHM O[C@H](CNc1cccc(F)c1-c1nnn[n-]1)c1cc(Cl)cc(Cl)c1 ZINC000738380941 599306802 /nfs/dbraw/zinc/30/68/02/599306802.db2.gz DVKYKJZRWPEFEK-CYBMUJFWSA-N -1 3 368.199 3.458 20 0 FGADHM O[C@H](CNc1cccc(F)c1-c1nn[n-]n1)c1cc(Cl)cc(Cl)c1 ZINC000738380941 599306804 /nfs/dbraw/zinc/30/68/04/599306804.db2.gz DVKYKJZRWPEFEK-CYBMUJFWSA-N -1 3 368.199 3.458 20 0 FGADHM CN(C(=O)c1ccc(OC(F)(F)F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736743134 599308234 /nfs/dbraw/zinc/30/82/34/599308234.db2.gz ZXGBUFTZOAFQNG-UHFFFAOYSA-N -1 3 363.299 3.042 20 0 FGADHM CN(C(=O)c1ccc(OC(F)(F)F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736743134 599308236 /nfs/dbraw/zinc/30/82/36/599308236.db2.gz ZXGBUFTZOAFQNG-UHFFFAOYSA-N -1 3 363.299 3.042 20 0 FGADHM Cc1c(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cccc1N1CCOC1=O ZINC000822116061 599308685 /nfs/dbraw/zinc/30/86/85/599308685.db2.gz LWVGVIOAUJVZJO-CYBMUJFWSA-N -1 3 364.409 3.305 20 0 FGADHM Cc1c(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cccc1N1CCOC1=O ZINC000822116061 599308687 /nfs/dbraw/zinc/30/86/87/599308687.db2.gz LWVGVIOAUJVZJO-CYBMUJFWSA-N -1 3 364.409 3.305 20 0 FGADHM CCN(C(=O)CCCOc1ccccc1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736505437 599308895 /nfs/dbraw/zinc/30/88/95/599308895.db2.gz NVCFMXNMOGJYLX-UHFFFAOYSA-N -1 3 365.437 3.387 20 0 FGADHM CCN(C(=O)CCCOc1ccccc1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736505437 599308898 /nfs/dbraw/zinc/30/88/98/599308898.db2.gz NVCFMXNMOGJYLX-UHFFFAOYSA-N -1 3 365.437 3.387 20 0 FGADHM O=C(Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1)[C@H]1CCCS1 ZINC000823356419 599317668 /nfs/dbraw/zinc/31/76/68/599317668.db2.gz LNAOVCSVPISRIU-MRXNPFEDSA-N -1 3 367.434 3.493 20 0 FGADHM O=C(Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1)[C@H]1CCCS1 ZINC000823356419 599317669 /nfs/dbraw/zinc/31/76/69/599317669.db2.gz LNAOVCSVPISRIU-MRXNPFEDSA-N -1 3 367.434 3.493 20 0 FGADHM O=C(Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)[C@@H]1CCCS1 ZINC000823368518 599321054 /nfs/dbraw/zinc/32/10/54/599321054.db2.gz ZKIOAGBIUPIEBD-INIZCTEOSA-N -1 3 367.434 3.493 20 0 FGADHM O=C(Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)[C@@H]1CCCS1 ZINC000823368518 599321057 /nfs/dbraw/zinc/32/10/57/599321057.db2.gz ZKIOAGBIUPIEBD-INIZCTEOSA-N -1 3 367.434 3.493 20 0 FGADHM Cc1ccnc(-c2cccc(NCCOc3cccc(-c4nnn[n-]4)c3)c2)n1 ZINC000737437409 599330754 /nfs/dbraw/zinc/33/07/54/599330754.db2.gz PGYMZZKAFJCQCN-UHFFFAOYSA-N -1 3 373.420 3.123 20 0 FGADHM Cc1ccnc(-c2cccc(NCCOc3cccc(-c4nn[n-]n4)c3)c2)n1 ZINC000737437409 599330757 /nfs/dbraw/zinc/33/07/57/599330757.db2.gz PGYMZZKAFJCQCN-UHFFFAOYSA-N -1 3 373.420 3.123 20 0 FGADHM C[C@H](Sc1ccccc1-c1nnn[n-]1)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000820555820 599344160 /nfs/dbraw/zinc/34/41/60/599344160.db2.gz PXDIYNRHEXGVNS-SFDCQRBFSA-N -1 3 359.499 3.288 20 0 FGADHM C[C@H](Sc1ccccc1-c1nn[n-]n1)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000820555820 599344163 /nfs/dbraw/zinc/34/41/63/599344163.db2.gz PXDIYNRHEXGVNS-SFDCQRBFSA-N -1 3 359.499 3.288 20 0 FGADHM O=C(Nc1ccsc1)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000738199219 599344776 /nfs/dbraw/zinc/34/47/76/599344776.db2.gz UTPLAAVJGWTUAJ-UHFFFAOYSA-N -1 3 367.390 3.353 20 0 FGADHM O=C(Nc1ccsc1)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000738199219 599344779 /nfs/dbraw/zinc/34/47/79/599344779.db2.gz UTPLAAVJGWTUAJ-UHFFFAOYSA-N -1 3 367.390 3.353 20 0 FGADHM c1ccc(Cc2nc(CSc3ccccc3-c3nnn[n-]3)no2)cc1 ZINC000823787008 599346407 /nfs/dbraw/zinc/34/64/07/599346407.db2.gz HKKKDNYLWKMEQN-UHFFFAOYSA-N -1 3 350.407 3.133 20 0 FGADHM c1ccc(Cc2nc(CSc3ccccc3-c3nn[n-]n3)no2)cc1 ZINC000823787008 599346410 /nfs/dbraw/zinc/34/64/10/599346410.db2.gz HKKKDNYLWKMEQN-UHFFFAOYSA-N -1 3 350.407 3.133 20 0 FGADHM COC[C@@H](Nc1ccc(-c2nnn[n-]2)cn1)c1cccc(C(F)(F)F)c1 ZINC000736976166 599350168 /nfs/dbraw/zinc/35/01/68/599350168.db2.gz DKCYMDHDOBZKLY-CYBMUJFWSA-N -1 3 364.331 3.080 20 0 FGADHM COC[C@@H](Nc1ccc(-c2nn[n-]n2)cn1)c1cccc(C(F)(F)F)c1 ZINC000736976166 599350170 /nfs/dbraw/zinc/35/01/70/599350170.db2.gz DKCYMDHDOBZKLY-CYBMUJFWSA-N -1 3 364.331 3.080 20 0 FGADHM C[C@H](CC(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@@H](C)C2)n1cccc1 ZINC000736280912 599369892 /nfs/dbraw/zinc/36/98/92/599369892.db2.gz RGLFBGPZRKMJPK-VXGBXAGGSA-N -1 3 370.482 3.444 20 0 FGADHM C[C@H](CC(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@@H](C)C2)n1cccc1 ZINC000736280912 599369895 /nfs/dbraw/zinc/36/98/95/599369895.db2.gz RGLFBGPZRKMJPK-VXGBXAGGSA-N -1 3 370.482 3.444 20 0 FGADHM CCOC(=O)[C@H](C)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000821313844 599387064 /nfs/dbraw/zinc/38/70/64/599387064.db2.gz IVKYRLBOOUBUCM-NSHDSACASA-N -1 3 371.372 3.162 20 0 FGADHM CCOC(=O)[C@H](C)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000821313844 599387067 /nfs/dbraw/zinc/38/70/67/599387067.db2.gz IVKYRLBOOUBUCM-NSHDSACASA-N -1 3 371.372 3.162 20 0 FGADHM C[C@H](NCc1csc(-c2ccccn2)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000820438071 599392956 /nfs/dbraw/zinc/39/29/56/599392956.db2.gz HQTRCJXFAKOWPN-LBPRGKRZSA-N -1 3 363.450 3.236 20 0 FGADHM CN(Cc1ccc(F)cc1F)c1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000736819151 599402169 /nfs/dbraw/zinc/40/21/69/599402169.db2.gz IWZVOPPFMXEEFB-UHFFFAOYSA-N -1 3 352.348 3.330 20 0 FGADHM CN(Cc1ccc(F)cc1F)c1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000736819151 599402170 /nfs/dbraw/zinc/40/21/70/599402170.db2.gz IWZVOPPFMXEEFB-UHFFFAOYSA-N -1 3 352.348 3.330 20 0 FGADHM COc1ccc(CNCc2c(Cl)cccc2Cl)cc1-c1nnn[n-]1 ZINC000821814214 599420369 /nfs/dbraw/zinc/42/03/69/599420369.db2.gz YBFITYFFVVDBPH-UHFFFAOYSA-N -1 3 364.236 3.472 20 0 FGADHM COc1ccc(CNCc2c(Cl)cccc2Cl)cc1-c1nn[n-]n1 ZINC000821814214 599420371 /nfs/dbraw/zinc/42/03/71/599420371.db2.gz YBFITYFFVVDBPH-UHFFFAOYSA-N -1 3 364.236 3.472 20 0 FGADHM COc1ccc([C@H]2CCN(c3cc(-c4nnn[n-]4)c4ccccc4n3)C2)cc1 ZINC000737077588 599421798 /nfs/dbraw/zinc/42/17/98/599421798.db2.gz VUDRQDMOGVVBPQ-HNNXBMFYSA-N -1 3 372.432 3.417 20 0 FGADHM COc1ccc([C@H]2CCN(c3cc(-c4nn[n-]n4)c4ccccc4n3)C2)cc1 ZINC000737077588 599421800 /nfs/dbraw/zinc/42/18/00/599421800.db2.gz VUDRQDMOGVVBPQ-HNNXBMFYSA-N -1 3 372.432 3.417 20 0 FGADHM O[C@]1(CNc2cc(Cl)ccc2-c2nnn[n-]2)CCCc2ccccc21 ZINC000738387667 599434795 /nfs/dbraw/zinc/43/47/95/599434795.db2.gz BZUSKWSUQBQHNT-SFHVURJKSA-N -1 3 355.829 3.156 20 0 FGADHM O[C@]1(CNc2cc(Cl)ccc2-c2nn[n-]n2)CCCc2ccccc21 ZINC000738387667 599434798 /nfs/dbraw/zinc/43/47/98/599434798.db2.gz BZUSKWSUQBQHNT-SFHVURJKSA-N -1 3 355.829 3.156 20 0 FGADHM C[C@@H](NCc1ccc(-c2nnn[n-]2)o1)c1ccc(F)c(Br)c1 ZINC000821994936 599435611 /nfs/dbraw/zinc/43/56/11/599435611.db2.gz RAUDEXOYRGEURM-MRVPVSSYSA-N -1 3 366.194 3.212 20 0 FGADHM C[C@@H](NCc1ccc(-c2nn[n-]n2)o1)c1ccc(F)c(Br)c1 ZINC000821994936 599435613 /nfs/dbraw/zinc/43/56/13/599435613.db2.gz RAUDEXOYRGEURM-MRVPVSSYSA-N -1 3 366.194 3.212 20 0 FGADHM Cc1ccc(CC[C@@H](C)NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)o1 ZINC000822235211 599457154 /nfs/dbraw/zinc/45/71/54/599457154.db2.gz XNKGPBHHRLRUBJ-OCCSQVGLSA-N -1 3 368.441 3.150 20 0 FGADHM Cc1ccc(CC[C@@H](C)NC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)o1 ZINC000822235211 599457156 /nfs/dbraw/zinc/45/71/56/599457156.db2.gz XNKGPBHHRLRUBJ-OCCSQVGLSA-N -1 3 368.441 3.150 20 0 FGADHM CN(Cc1ccc(Br)s1)c1ccc(F)cc1-c1nnn[n-]1 ZINC000821609662 599464421 /nfs/dbraw/zinc/46/44/21/599464421.db2.gz GUSIDFMDFWNJKA-UHFFFAOYSA-N -1 3 368.235 3.466 20 0 FGADHM CN(Cc1ccc(Br)s1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000821609662 599464422 /nfs/dbraw/zinc/46/44/22/599464422.db2.gz GUSIDFMDFWNJKA-UHFFFAOYSA-N -1 3 368.235 3.466 20 0 FGADHM C[C@@H](CN(C)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000820252760 599472843 /nfs/dbraw/zinc/47/28/43/599472843.db2.gz DEVDUSHOXRFLIT-LSDHHAIUSA-N -1 3 364.453 3.373 20 0 FGADHM C[C@@H](CN(C)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000820252760 599472845 /nfs/dbraw/zinc/47/28/45/599472845.db2.gz DEVDUSHOXRFLIT-LSDHHAIUSA-N -1 3 364.453 3.373 20 0 FGADHM C[C@H](CNC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000820262425 599473032 /nfs/dbraw/zinc/47/30/32/599473032.db2.gz VQIYYURXEZTTPR-KGLIPLIRSA-N -1 3 350.426 3.031 20 0 FGADHM C[C@H](CNC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000820262425 599473033 /nfs/dbraw/zinc/47/30/33/599473033.db2.gz VQIYYURXEZTTPR-KGLIPLIRSA-N -1 3 350.426 3.031 20 0 FGADHM C[C@@H](NC(=O)N[C@@H]1CCCc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820359315 599473988 /nfs/dbraw/zinc/47/39/88/599473988.db2.gz SCOZKOZVZAKILC-FZKQIMNGSA-N -1 3 362.437 3.305 20 0 FGADHM C[C@@H](NC(=O)N[C@@H]1CCCc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820359315 599473990 /nfs/dbraw/zinc/47/39/90/599473990.db2.gz SCOZKOZVZAKILC-FZKQIMNGSA-N -1 3 362.437 3.305 20 0 FGADHM Cc1cccc(CN(C)C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000822304333 599474855 /nfs/dbraw/zinc/47/48/55/599474855.db2.gz SZCGWVAXOGHFBN-AWEZNQCLSA-N -1 3 350.426 3.078 20 0 FGADHM Cc1cccc(CN(C)C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000822304333 599474857 /nfs/dbraw/zinc/47/48/57/599474857.db2.gz SZCGWVAXOGHFBN-AWEZNQCLSA-N -1 3 350.426 3.078 20 0 FGADHM CC[C@@H](c1ccncc1)N(C)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820944751 599476685 /nfs/dbraw/zinc/47/66/85/599476685.db2.gz NWQHVBVENNFTHF-DYVFJYSZSA-N -1 3 365.441 3.115 20 0 FGADHM CC[C@@H](c1ccncc1)N(C)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820944751 599476687 /nfs/dbraw/zinc/47/66/87/599476687.db2.gz NWQHVBVENNFTHF-DYVFJYSZSA-N -1 3 365.441 3.115 20 0 FGADHM COc1cc([C@H](C)Nc2ccc(F)cc2-c2nnn[n-]2)cc(OC)c1OC ZINC000821708523 599477652 /nfs/dbraw/zinc/47/76/52/599477652.db2.gz RSNJXANXVBGDHP-JTQLQIEISA-N -1 3 373.388 3.205 20 0 FGADHM COc1cc([C@H](C)Nc2ccc(F)cc2-c2nn[n-]n2)cc(OC)c1OC ZINC000821708523 599477655 /nfs/dbraw/zinc/47/76/55/599477655.db2.gz RSNJXANXVBGDHP-JTQLQIEISA-N -1 3 373.388 3.205 20 0 FGADHM C[C@H](NC(=O)N1CCCc2sccc2C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820348622 599480953 /nfs/dbraw/zinc/48/09/53/599480953.db2.gz DYQLVEJJUIBMMO-LBPRGKRZSA-N -1 3 368.466 3.147 20 0 FGADHM C[C@H](NC(=O)N1CCCc2sccc2C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820348622 599480954 /nfs/dbraw/zinc/48/09/54/599480954.db2.gz DYQLVEJJUIBMMO-LBPRGKRZSA-N -1 3 368.466 3.147 20 0 FGADHM C[C@@H](NC(=O)N1CCC[C@H]1C1CCCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820348166 599483312 /nfs/dbraw/zinc/48/33/12/599483312.db2.gz APLFZDKKMFBFNY-DYVFJYSZSA-N -1 3 354.458 3.292 20 0 FGADHM C[C@@H](NC(=O)N1CCC[C@H]1C1CCCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820348166 599483315 /nfs/dbraw/zinc/48/33/15/599483315.db2.gz APLFZDKKMFBFNY-DYVFJYSZSA-N -1 3 354.458 3.292 20 0 FGADHM Cc1ccc(CN(C)C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)s1 ZINC000822236457 599486399 /nfs/dbraw/zinc/48/63/99/599486399.db2.gz ZYSCGPIYKAVPBU-GFCCVEGCSA-N -1 3 356.455 3.139 20 0 FGADHM Cc1ccc(CN(C)C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)s1 ZINC000822236457 599486401 /nfs/dbraw/zinc/48/64/01/599486401.db2.gz ZYSCGPIYKAVPBU-GFCCVEGCSA-N -1 3 356.455 3.139 20 0 FGADHM Cc1ncc(CN(C)c2c(-c3nnn[n-]3)cnc3c(C)cc(F)cc32)s1 ZINC000822468008 599486446 /nfs/dbraw/zinc/48/64/46/599486446.db2.gz VEDZLBAMDXTLIK-UHFFFAOYSA-N -1 3 369.429 3.264 20 0 FGADHM Cc1ncc(CN(C)c2c(-c3nn[n-]n3)cnc3c(C)cc(F)cc32)s1 ZINC000822468008 599486448 /nfs/dbraw/zinc/48/64/48/599486448.db2.gz VEDZLBAMDXTLIK-UHFFFAOYSA-N -1 3 369.429 3.264 20 0 FGADHM O=C(CNc1c(Cl)cccc1-c1nnn[n-]1)Nc1ccc(Cl)cc1 ZINC000823009756 599491926 /nfs/dbraw/zinc/49/19/26/599491926.db2.gz SHAYEACBDAQKBX-UHFFFAOYSA-N -1 3 363.208 3.224 20 0 FGADHM O=C(CNc1c(Cl)cccc1-c1nn[n-]n1)Nc1ccc(Cl)cc1 ZINC000823009756 599491927 /nfs/dbraw/zinc/49/19/27/599491927.db2.gz SHAYEACBDAQKBX-UHFFFAOYSA-N -1 3 363.208 3.224 20 0 FGADHM C[C@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2)N1CCCCC1 ZINC000735569384 599503217 /nfs/dbraw/zinc/50/32/17/599503217.db2.gz HBMXGPTVDFGCPY-GFCCVEGCSA-N -1 3 374.514 3.010 20 0 FGADHM C[C@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2)N1CCCCC1 ZINC000735569384 599503219 /nfs/dbraw/zinc/50/32/19/599503219.db2.gz HBMXGPTVDFGCPY-GFCCVEGCSA-N -1 3 374.514 3.010 20 0 FGADHM Cc1cc(F)cc2[nH]c(C(=O)N[C@@H](C)c3cccc(-c4nnn[n-]4)c3)cc21 ZINC000822203041 599503366 /nfs/dbraw/zinc/50/33/66/599503366.db2.gz BASBZIUXEVGOQR-NSHDSACASA-N -1 3 364.384 3.287 20 0 FGADHM Cc1cc(F)cc2[nH]c(C(=O)N[C@@H](C)c3cccc(-c4nn[n-]n4)c3)cc21 ZINC000822203041 599503369 /nfs/dbraw/zinc/50/33/69/599503369.db2.gz BASBZIUXEVGOQR-NSHDSACASA-N -1 3 364.384 3.287 20 0 FGADHM Cc1ccc(C)c(SCC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000822231710 599503716 /nfs/dbraw/zinc/50/37/16/599503716.db2.gz DXNGJTSBYBPLPK-CQSZACIVSA-N -1 3 367.478 3.453 20 0 FGADHM Cc1ccc(C)c(SCC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000822231710 599503718 /nfs/dbraw/zinc/50/37/18/599503718.db2.gz DXNGJTSBYBPLPK-CQSZACIVSA-N -1 3 367.478 3.453 20 0 FGADHM Fc1ccc(CNc2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)c(F)c1 ZINC000822772444 599504711 /nfs/dbraw/zinc/50/47/11/599504711.db2.gz ZCVIKBNWDTZOAG-UHFFFAOYSA-N -1 3 372.766 3.381 20 0 FGADHM Fc1ccc(CNc2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)c(F)c1 ZINC000822772444 599504715 /nfs/dbraw/zinc/50/47/15/599504715.db2.gz ZCVIKBNWDTZOAG-UHFFFAOYSA-N -1 3 372.766 3.381 20 0 FGADHM CC(C)c1nc([C@H]2CCCN(c3ccc(Cl)cc3-c3nnn[n-]3)C2)no1 ZINC000820202976 599508285 /nfs/dbraw/zinc/50/82/85/599508285.db2.gz NCIUUUOWTBTSTH-NSHDSACASA-N -1 3 373.848 3.411 20 0 FGADHM CC(C)c1nc([C@H]2CCCN(c3ccc(Cl)cc3-c3nn[n-]n3)C2)no1 ZINC000820202976 599508287 /nfs/dbraw/zinc/50/82/87/599508287.db2.gz NCIUUUOWTBTSTH-NSHDSACASA-N -1 3 373.848 3.411 20 0 FGADHM Cc1nc([C@H]2CCCN(c3nc(C)cc(C)c3-c3nnn[n-]3)C2)sc1C ZINC000822191153 599508548 /nfs/dbraw/zinc/50/85/48/599508548.db2.gz GNEWFFWHNGFXRF-AWEZNQCLSA-N -1 3 369.498 3.336 20 0 FGADHM Cc1nc([C@H]2CCCN(c3nc(C)cc(C)c3-c3nn[n-]n3)C2)sc1C ZINC000822191153 599508549 /nfs/dbraw/zinc/50/85/49/599508549.db2.gz GNEWFFWHNGFXRF-AWEZNQCLSA-N -1 3 369.498 3.336 20 0 FGADHM C[C@@H](CC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1F ZINC000820226045 599510749 /nfs/dbraw/zinc/51/07/49/599510749.db2.gz STEYJFMUPJOJNM-STQMWFEESA-N -1 3 353.401 3.377 20 0 FGADHM C[C@@H](CC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1F ZINC000820226045 599510751 /nfs/dbraw/zinc/51/07/51/599510751.db2.gz STEYJFMUPJOJNM-STQMWFEESA-N -1 3 353.401 3.377 20 0 FGADHM CCn1cc(C2CCN(c3c(Cl)cccc3-c3nnn[n-]3)CC2)cn1 ZINC000821565508 599510815 /nfs/dbraw/zinc/51/08/15/599510815.db2.gz VYGQRPKLOOADNT-UHFFFAOYSA-N -1 3 357.849 3.121 20 0 FGADHM CCn1cc(C2CCN(c3c(Cl)cccc3-c3nn[n-]n3)CC2)cn1 ZINC000821565508 599510817 /nfs/dbraw/zinc/51/08/17/599510817.db2.gz VYGQRPKLOOADNT-UHFFFAOYSA-N -1 3 357.849 3.121 20 0 FGADHM C[C@H](NC(=O)CCc1ccccc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000820326851 599511568 /nfs/dbraw/zinc/51/15/68/599511568.db2.gz AVGPQUDLLJYOMH-LBPRGKRZSA-N -1 3 355.829 3.330 20 0 FGADHM C[C@H](NC(=O)CCc1ccccc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000820326851 599511569 /nfs/dbraw/zinc/51/15/69/599511569.db2.gz AVGPQUDLLJYOMH-LBPRGKRZSA-N -1 3 355.829 3.330 20 0 FGADHM C[C@H](NC(=O)[C@H]1C[C@@H]1c1c(F)cccc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000820320941 599513552 /nfs/dbraw/zinc/51/35/52/599513552.db2.gz AFKBVBWIACHQMY-BPNCWPANSA-N -1 3 369.375 3.126 20 0 FGADHM C[C@H](NC(=O)[C@H]1C[C@@H]1c1c(F)cccc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000820320941 599513553 /nfs/dbraw/zinc/51/35/53/599513553.db2.gz AFKBVBWIACHQMY-BPNCWPANSA-N -1 3 369.375 3.126 20 0 FGADHM C[C@@H](Nc1c(-c2nnn[n-]2)cnc2ccc(Cl)cc21)c1cccc(O)c1 ZINC000820450400 599515355 /nfs/dbraw/zinc/51/53/55/599515355.db2.gz KDNZYMLHNSOAJP-SNVBAGLBSA-N -1 3 366.812 3.369 20 0 FGADHM C[C@@H](Nc1c(-c2nn[n-]n2)cnc2ccc(Cl)cc21)c1cccc(O)c1 ZINC000820450400 599515357 /nfs/dbraw/zinc/51/53/57/599515357.db2.gz KDNZYMLHNSOAJP-SNVBAGLBSA-N -1 3 366.812 3.369 20 0 FGADHM C[C@@H](NC(=O)COc1ccc2ccccc2c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820329742 599518713 /nfs/dbraw/zinc/51/87/13/599518713.db2.gz ZJBUEOKZZRYUDG-CQSZACIVSA-N -1 3 373.416 3.276 20 0 FGADHM C[C@@H](NC(=O)COc1ccc2ccccc2c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820329742 599518715 /nfs/dbraw/zinc/51/87/15/599518715.db2.gz ZJBUEOKZZRYUDG-CQSZACIVSA-N -1 3 373.416 3.276 20 0 FGADHM CN(Cc1nccn1C(F)F)c1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000736831761 599519877 /nfs/dbraw/zinc/51/98/77/599519877.db2.gz UIOPRXNLBRPUQL-UHFFFAOYSA-N -1 3 373.289 3.114 20 0 FGADHM COc1ccc2c(c1)CCCN(c1c(Cl)cccc1-c1nnn[n-]1)C2 ZINC000821849871 599523194 /nfs/dbraw/zinc/52/31/94/599523194.db2.gz SLOYHISMTFXGEH-UHFFFAOYSA-N -1 3 355.829 3.482 20 0 FGADHM COc1ccc2c(c1)CCCN(c1c(Cl)cccc1-c1nn[n-]n1)C2 ZINC000821849871 599523196 /nfs/dbraw/zinc/52/31/96/599523196.db2.gz SLOYHISMTFXGEH-UHFFFAOYSA-N -1 3 355.829 3.482 20 0 FGADHM CCOC[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2C(F)(F)F)C1 ZINC000736611868 599525762 /nfs/dbraw/zinc/52/57/62/599525762.db2.gz XNUWJHDOACHANH-NSHDSACASA-N -1 3 355.364 3.138 20 0 FGADHM OC1(CNc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)CCCCCC1 ZINC000738389364 599527472 /nfs/dbraw/zinc/52/74/72/599527472.db2.gz LTDUETNGBFQFMD-UHFFFAOYSA-N -1 3 355.364 3.383 20 0 FGADHM COc1ccc(Cl)cc1C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821824869 599529583 /nfs/dbraw/zinc/52/95/83/599529583.db2.gz PFINCACUCYTRGU-SNVBAGLBSA-N -1 3 357.801 3.020 20 0 FGADHM COc1ccc(Cl)cc1C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821824869 599529585 /nfs/dbraw/zinc/52/95/85/599529585.db2.gz PFINCACUCYTRGU-SNVBAGLBSA-N -1 3 357.801 3.020 20 0 FGADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N[C@@H](C)C[C@H](O)c1ccccc1 ZINC000822336934 607382730 /nfs/dbraw/zinc/38/27/30/607382730.db2.gz URZMJGFIVXPRGF-KSSFIOAISA-N -1 3 374.448 3.069 20 0 FGADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N[C@@H](C)C[C@H](O)c1ccccc1 ZINC000822336934 607382732 /nfs/dbraw/zinc/38/27/32/607382732.db2.gz URZMJGFIVXPRGF-KSSFIOAISA-N -1 3 374.448 3.069 20 0 FGADHM C[C@H](C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1)c1cccs1 ZINC000735511949 599541385 /nfs/dbraw/zinc/54/13/85/599541385.db2.gz IMCTXDHTLWRDQK-LBPRGKRZSA-N -1 3 353.451 3.223 20 0 FGADHM C[C@H](C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1)c1cccs1 ZINC000735511949 599541387 /nfs/dbraw/zinc/54/13/87/599541387.db2.gz IMCTXDHTLWRDQK-LBPRGKRZSA-N -1 3 353.451 3.223 20 0 FGADHM CC[C@@H]1CN(c2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)C[C@@H](C)O1 ZINC000820994342 599549301 /nfs/dbraw/zinc/54/93/01/599549301.db2.gz GWASFEZHMHJBCV-ZYHUDNBSSA-N -1 3 358.833 3.072 20 0 FGADHM CC[C@@H]1CN(c2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)C[C@@H](C)O1 ZINC000820994342 599549302 /nfs/dbraw/zinc/54/93/02/599549302.db2.gz GWASFEZHMHJBCV-ZYHUDNBSSA-N -1 3 358.833 3.072 20 0 FGADHM CC(C)(C)[C@@H]1OCCC[C@@H]1CNc1c(-c2nnn[n-]2)cnc2ccccc21 ZINC000819908124 599563479 /nfs/dbraw/zinc/56/34/79/599563479.db2.gz WOYLGEYNKFILPB-FZKQIMNGSA-N -1 3 366.469 3.090 20 0 FGADHM CC(C)(C)[C@@H]1OCCC[C@@H]1CNc1c(-c2nn[n-]n2)cnc2ccccc21 ZINC000819908124 599563481 /nfs/dbraw/zinc/56/34/81/599563481.db2.gz WOYLGEYNKFILPB-FZKQIMNGSA-N -1 3 366.469 3.090 20 0 FGADHM Fc1cccc(C2(CNc3c(-c4nnn[n-]4)cnc4ccccc43)CC2)c1 ZINC000822786570 599567265 /nfs/dbraw/zinc/56/72/65/599567265.db2.gz MVCXJLGYFKGBPQ-UHFFFAOYSA-N -1 3 360.396 3.120 20 0 FGADHM Fc1cccc(C2(CNc3c(-c4nn[n-]n4)cnc4ccccc43)CC2)c1 ZINC000822786570 599567268 /nfs/dbraw/zinc/56/72/68/599567268.db2.gz MVCXJLGYFKGBPQ-UHFFFAOYSA-N -1 3 360.396 3.120 20 0 FGADHM C[C@@H]1CN(Cc2cn3ccccc3c2-c2nnn[n-]2)[C@@H](c2ccccc2)CO1 ZINC000820758651 599594310 /nfs/dbraw/zinc/59/43/10/599594310.db2.gz AUIZJTXLXJHTIM-DNVCBOLYSA-N -1 3 374.448 3.081 20 0 FGADHM C[C@@H]1CN(Cc2cn3ccccc3c2-c2nn[n-]n2)[C@@H](c2ccccc2)CO1 ZINC000820758651 599594312 /nfs/dbraw/zinc/59/43/12/599594312.db2.gz AUIZJTXLXJHTIM-DNVCBOLYSA-N -1 3 374.448 3.081 20 0 FGADHM C[C@@H]1c2c(F)cccc2CCN1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736301489 599599497 /nfs/dbraw/zinc/59/94/97/599599497.db2.gz NTFKJRAQQAYPNC-LLVKDONJSA-N -1 3 352.373 3.157 20 0 FGADHM C[C@@H]1c2c(F)cccc2CCN1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736301489 599599499 /nfs/dbraw/zinc/59/94/99/599599499.db2.gz NTFKJRAQQAYPNC-LLVKDONJSA-N -1 3 352.373 3.157 20 0 FGADHM Cc1ccc(C[C@@H](C)NC(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000737334374 599601481 /nfs/dbraw/zinc/60/14/81/599601481.db2.gz GQYYWNFOXIRAAM-YPMHNXCESA-N -1 3 370.482 3.228 20 0 FGADHM Cc1ccc(C[C@@H](C)NC(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000737334374 599601483 /nfs/dbraw/zinc/60/14/83/599601483.db2.gz GQYYWNFOXIRAAM-YPMHNXCESA-N -1 3 370.482 3.228 20 0 FGADHM C[C@@H](Cc1ccccc1F)C(=O)OCc1ccc(-c2nnn[n-]2)cc1F ZINC000736066062 599607539 /nfs/dbraw/zinc/60/75/39/599607539.db2.gz JCSQWUIAYREXQX-NSHDSACASA-N -1 3 358.348 3.067 20 0 FGADHM C[C@@H](Cc1ccccc1F)C(=O)OCc1ccc(-c2nn[n-]n2)cc1F ZINC000736066062 599607541 /nfs/dbraw/zinc/60/75/41/599607541.db2.gz JCSQWUIAYREXQX-NSHDSACASA-N -1 3 358.348 3.067 20 0 FGADHM CC[C@H](c1ccncc1)N(C)C(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000736397798 599609928 /nfs/dbraw/zinc/60/99/28/599609928.db2.gz VTYMZWFGISSGCP-MRXNPFEDSA-N -1 3 351.414 3.185 20 0 FGADHM CC[C@H](c1ccncc1)N(C)C(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000736397798 599609930 /nfs/dbraw/zinc/60/99/30/599609930.db2.gz VTYMZWFGISSGCP-MRXNPFEDSA-N -1 3 351.414 3.185 20 0 FGADHM CC(C)CO[C@@H]1C[C@@H](OC(=O)C=Cc2ccccc2-c2nnn[n-]2)C1(C)C ZINC000735839190 599619083 /nfs/dbraw/zinc/61/90/83/599619083.db2.gz MIWLRZMJBBAPAA-VEUZHWNKSA-N -1 3 370.453 3.263 20 0 FGADHM CC(C)CO[C@@H]1C[C@@H](OC(=O)C=Cc2ccccc2-c2nn[n-]n2)C1(C)C ZINC000735839190 599619085 /nfs/dbraw/zinc/61/90/85/599619085.db2.gz MIWLRZMJBBAPAA-VEUZHWNKSA-N -1 3 370.453 3.263 20 0 FGADHM O=C(OCc1ccccc1-c1nnn[n-]1)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000823431295 599621040 /nfs/dbraw/zinc/62/10/40/599621040.db2.gz PMOHCMFPUNALFR-GHTZIAJQSA-N -1 3 360.417 3.204 20 0 FGADHM O=C(OCc1ccccc1-c1nn[n-]n1)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000823431295 599621041 /nfs/dbraw/zinc/62/10/41/599621041.db2.gz PMOHCMFPUNALFR-GHTZIAJQSA-N -1 3 360.417 3.204 20 0 FGADHM CC[C@@H](Cc1ccccc1)OC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000820915672 599625639 /nfs/dbraw/zinc/62/56/39/599625639.db2.gz WGEXPJZJQQFCCN-ZBFHGGJFSA-N -1 3 366.421 3.199 20 0 FGADHM CC[C@@H](Cc1ccccc1)OC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000820915672 599625640 /nfs/dbraw/zinc/62/56/40/599625640.db2.gz WGEXPJZJQQFCCN-ZBFHGGJFSA-N -1 3 366.421 3.199 20 0 FGADHM COc1cccc(CCCOC(=O)C=Cc2ccccc2-c2nnn[n-]2)c1 ZINC000821868553 599626256 /nfs/dbraw/zinc/62/62/56/599626256.db2.gz SFJGXRDWBZQCBP-QXMHVHEDSA-N -1 3 364.405 3.065 20 0 FGADHM COc1cccc(CCCOC(=O)C=Cc2ccccc2-c2nn[n-]n2)c1 ZINC000821868553 599626257 /nfs/dbraw/zinc/62/62/57/599626257.db2.gz SFJGXRDWBZQCBP-QXMHVHEDSA-N -1 3 364.405 3.065 20 0 FGADHM Cc1ccc2c(CCC(=O)N[C@@H](C)c3ccc(-c4nnn[n-]4)cc3)c[nH]c2c1 ZINC000822274706 599648267 /nfs/dbraw/zinc/64/82/67/599648267.db2.gz GOVKBFCHCUTFRN-AWEZNQCLSA-N -1 3 374.448 3.466 20 0 FGADHM Cc1ccc2c(CCC(=O)N[C@@H](C)c3ccc(-c4nn[n-]n4)cc3)c[nH]c2c1 ZINC000822274706 599648268 /nfs/dbraw/zinc/64/82/68/599648268.db2.gz GOVKBFCHCUTFRN-AWEZNQCLSA-N -1 3 374.448 3.466 20 0 FGADHM O=C(NCC1CCC(C(F)(F)F)CC1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000823176810 599648359 /nfs/dbraw/zinc/64/83/59/599648359.db2.gz ZGWSUEZZLJOFJC-UHFFFAOYSA-N -1 3 368.363 3.357 20 0 FGADHM O=C(NCC1CCC(C(F)(F)F)CC1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000823176810 599648360 /nfs/dbraw/zinc/64/83/60/599648360.db2.gz ZGWSUEZZLJOFJC-UHFFFAOYSA-N -1 3 368.363 3.357 20 0 FGADHM CSCCCOC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000821971072 599650475 /nfs/dbraw/zinc/65/04/75/599650475.db2.gz XBYOUTCCHCEHRI-UHFFFAOYSA-N -1 3 354.435 3.444 20 0 FGADHM CSCCCOC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000821971072 599650476 /nfs/dbraw/zinc/65/04/76/599650476.db2.gz XBYOUTCCHCEHRI-UHFFFAOYSA-N -1 3 354.435 3.444 20 0 FGADHM CCCC[C@H](CC)C(=O)OCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000821039437 599656741 /nfs/dbraw/zinc/65/67/41/599656741.db2.gz CBNPCOLNDBGGIM-LBPRGKRZSA-N -1 3 370.413 3.176 20 0 FGADHM CCCC[C@H](CC)C(=O)OCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000821039437 599656742 /nfs/dbraw/zinc/65/67/42/599656742.db2.gz CBNPCOLNDBGGIM-LBPRGKRZSA-N -1 3 370.413 3.176 20 0 FGADHM C[C@@H](NC(=O)N(C)[C@@H](C)c1cccc(O)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820341824 599679994 /nfs/dbraw/zinc/67/99/94/599679994.db2.gz SAKKFDFUTNNPLC-OLZOCXBDSA-N -1 3 366.425 3.036 20 0 FGADHM C[C@@H](NC(=O)N(C)[C@@H](C)c1cccc(O)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820341824 599679995 /nfs/dbraw/zinc/67/99/95/599679995.db2.gz SAKKFDFUTNNPLC-OLZOCXBDSA-N -1 3 366.425 3.036 20 0 FGADHM CO[C@H](CNc1cc(C)c(-c2nnn[n-]2)c2nc3ccccc3n21)C(C)C ZINC000821677328 599687356 /nfs/dbraw/zinc/68/73/56/599687356.db2.gz UNAOOPUHVUCZHX-OAHLLOKOSA-N -1 3 365.441 3.059 20 0 FGADHM CO[C@H](CNc1cc(C)c(-c2nn[n-]n2)c2nc3ccccc3n21)C(C)C ZINC000821677328 599687357 /nfs/dbraw/zinc/68/73/57/599687357.db2.gz UNAOOPUHVUCZHX-OAHLLOKOSA-N -1 3 365.441 3.059 20 0 FGADHM CC[C@@H]1C[C@@H](C)CN1C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC000820967422 599692782 /nfs/dbraw/zinc/69/27/82/599692782.db2.gz ONKYDVDODVBLAX-TZMCWYRMSA-N -1 3 358.446 3.306 20 0 FGADHM CC[C@@H]1C[C@@H](C)CN1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC000820967422 599692783 /nfs/dbraw/zinc/69/27/83/599692783.db2.gz ONKYDVDODVBLAX-TZMCWYRMSA-N -1 3 358.446 3.306 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CC[C@H](CC(C)C)C1 ZINC000821407959 599692797 /nfs/dbraw/zinc/69/27/97/599692797.db2.gz YZMTUUFBMWXAJQ-CYBMUJFWSA-N -1 3 358.446 3.165 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CC[C@H](CC(C)C)C1 ZINC000821407959 599692798 /nfs/dbraw/zinc/69/27/98/599692798.db2.gz YZMTUUFBMWXAJQ-CYBMUJFWSA-N -1 3 358.446 3.165 20 0 FGADHM O=C(CCn1cccc1)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000822986602 599698213 /nfs/dbraw/zinc/69/82/13/599698213.db2.gz IFVOIWIUXIEWGE-UHFFFAOYSA-N -1 3 374.404 3.489 20 0 FGADHM O=C(CCn1cccc1)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000822986602 599698214 /nfs/dbraw/zinc/69/82/14/599698214.db2.gz IFVOIWIUXIEWGE-UHFFFAOYSA-N -1 3 374.404 3.489 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1cc(-c2ccccc2)ns1 ZINC000823337661 599700266 /nfs/dbraw/zinc/70/02/66/599700266.db2.gz QBNLOPGESSJKOW-UHFFFAOYSA-N -1 3 366.381 3.382 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1cc(-c2ccccc2)ns1 ZINC000823337661 599700267 /nfs/dbraw/zinc/70/02/67/599700267.db2.gz QBNLOPGESSJKOW-UHFFFAOYSA-N -1 3 366.381 3.382 20 0 FGADHM O=C([O-])c1ccc(C(=O)N2CCCN(CCCc3ccccc3)CC2)s1 ZINC000740110020 599705027 /nfs/dbraw/zinc/70/50/27/599705027.db2.gz QAIHNNRDJABFRL-UHFFFAOYSA-N -1 3 372.490 3.227 20 0 FGADHM CCCC[C@@H](C(=O)[O-])N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000736978912 599705348 /nfs/dbraw/zinc/70/53/48/599705348.db2.gz KQQBQHYTEPQSJJ-HNNXBMFYSA-N -1 3 373.280 3.395 20 0 FGADHM O=C(Nc1ccc(F)c(Cl)c1)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826454517 607392138 /nfs/dbraw/zinc/39/21/38/607392138.db2.gz ZIUBQLRZECSIRY-UHFFFAOYSA-N -1 3 372.791 3.470 20 0 FGADHM O=C(Nc1ccc(F)c(Cl)c1)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826454517 607392140 /nfs/dbraw/zinc/39/21/40/607392140.db2.gz ZIUBQLRZECSIRY-UHFFFAOYSA-N -1 3 372.791 3.470 20 0 FGADHM Cc1cncc(C=CC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(C)C)c1 ZINC000822400063 607394523 /nfs/dbraw/zinc/39/45/23/607394523.db2.gz VMDOPVNJBRAPHH-DAXSKMNVSA-N -1 3 364.409 3.009 20 0 FGADHM CC(C)CCO[C@@H](C)C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000820076822 607397629 /nfs/dbraw/zinc/39/76/29/607397629.db2.gz UJSQMPLBQOHSAG-ZDUSSCGKSA-N -1 3 361.446 3.044 20 0 FGADHM CC(C)CCO[C@@H](C)C(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000820076822 607397630 /nfs/dbraw/zinc/39/76/30/607397630.db2.gz UJSQMPLBQOHSAG-ZDUSSCGKSA-N -1 3 361.446 3.044 20 0 FGADHM COc1cccc(C(C)=CC(=O)OCc2ccc(-c3nnn[n-]3)cc2C)c1 ZINC000826214351 607402281 /nfs/dbraw/zinc/40/22/81/607402281.db2.gz IZRUZLFSHXRDFC-UVTDQMKNSA-N -1 3 364.405 3.330 20 0 FGADHM COc1cccc(C(C)=CC(=O)OCc2ccc(-c3nn[n-]n3)cc2C)c1 ZINC000826214351 607402282 /nfs/dbraw/zinc/40/22/82/607402282.db2.gz IZRUZLFSHXRDFC-UVTDQMKNSA-N -1 3 364.405 3.330 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000826253628 607403263 /nfs/dbraw/zinc/40/32/63/607403263.db2.gz XMGSTTSONWNVFT-LSDHHAIUSA-N -1 3 370.359 3.300 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000826253628 607403265 /nfs/dbraw/zinc/40/32/65/607403265.db2.gz XMGSTTSONWNVFT-LSDHHAIUSA-N -1 3 370.359 3.300 20 0 FGADHM COc1cccc([C@@H](C)CC(=O)OCc2ccc(-c3nnn[n-]3)cc2C)c1 ZINC000826214857 607404668 /nfs/dbraw/zinc/40/46/68/607404668.db2.gz YZYXNVPNLRFINI-AWEZNQCLSA-N -1 3 366.421 3.421 20 0 FGADHM COc1cccc([C@@H](C)CC(=O)OCc2ccc(-c3nn[n-]n3)cc2C)c1 ZINC000826214857 607404669 /nfs/dbraw/zinc/40/46/69/607404669.db2.gz YZYXNVPNLRFINI-AWEZNQCLSA-N -1 3 366.421 3.421 20 0 FGADHM C[C@H](CN(CC(=O)N[C@@H](c1cccs1)c1ccccc1)C1CC1)C(=O)[O-] ZINC000736577961 599951069 /nfs/dbraw/zinc/95/10/69/599951069.db2.gz IENRTHKIXKTMBH-AUUYWEPGSA-N -1 3 372.490 3.139 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)c1ccc(COC(C)C)cc1 ZINC000826253917 607411482 /nfs/dbraw/zinc/41/14/82/607411482.db2.gz KZTIBHHFHJNWRL-UHFFFAOYSA-N -1 3 366.421 3.457 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)c1ccc(COC(C)C)cc1 ZINC000826253917 607411483 /nfs/dbraw/zinc/41/14/83/607411483.db2.gz KZTIBHHFHJNWRL-UHFFFAOYSA-N -1 3 366.421 3.457 20 0 FGADHM Cc1ccc(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)c(Br)c1 ZINC000826281108 607861711 /nfs/dbraw/zinc/86/17/11/607861711.db2.gz FJJPFVAOAYRVGP-UHFFFAOYSA-N -1 3 372.226 3.214 20 0 FGADHM C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)CCc2ccc(C(=O)[O-])cc2)C1 ZINC000736722138 600041401 /nfs/dbraw/zinc/04/14/01/600041401.db2.gz AMLCJSGTUCPLRD-JXFKEZNVSA-N -1 3 366.461 3.269 20 0 FGADHM O=C([O-])c1ccc(CCC(=O)NC[C@H](c2cccs2)N2CCCC2)cc1 ZINC000739256928 600060757 /nfs/dbraw/zinc/06/07/57/600060757.db2.gz QYQOMCKLQACEDV-QGZVFWFLSA-N -1 3 372.490 3.332 20 0 FGADHM CNC(=O)c1ccc(CN(Cc2ccc(F)cc2C(=O)[O-])C2CC2)cc1 ZINC000737547696 600084363 /nfs/dbraw/zinc/08/43/63/600084363.db2.gz XQKOKKSDQAODRW-UHFFFAOYSA-N -1 3 356.397 3.048 20 0 FGADHM C[C@@H](CC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1ccccc1F ZINC000824385347 607420800 /nfs/dbraw/zinc/42/08/00/607420800.db2.gz QZSPOWGIQVDSDS-ZDUSSCGKSA-N -1 3 365.412 3.305 20 0 FGADHM C[C@@H](CC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1ccccc1F ZINC000824385347 607420803 /nfs/dbraw/zinc/42/08/03/607420803.db2.gz QZSPOWGIQVDSDS-ZDUSSCGKSA-N -1 3 365.412 3.305 20 0 FGADHM Cc1c(NC(=O)N[C@@H]2[C@@H]3CCc4ccccc4[C@@H]32)cccc1-c1nnn[n-]1 ZINC000822090513 607424912 /nfs/dbraw/zinc/42/49/12/607424912.db2.gz KKHHPHVZNCNJEU-BPQIPLTHSA-N -1 3 360.421 3.025 20 0 FGADHM Cc1c(NC(=O)N[C@@H]2[C@@H]3CCc4ccccc4[C@@H]32)cccc1-c1nn[n-]n1 ZINC000822090513 607424914 /nfs/dbraw/zinc/42/49/14/607424914.db2.gz KKHHPHVZNCNJEU-BPQIPLTHSA-N -1 3 360.421 3.025 20 0 FGADHM O=C([O-])[C@H]1CN(C(=O)c2cccc(CN3CCCC3)c2)c2ccccc21 ZINC000739613171 600280030 /nfs/dbraw/zinc/28/00/30/600280030.db2.gz LDPCKUAUFLSJHJ-SFHVURJKSA-N -1 3 350.418 3.111 20 0 FGADHM CN(C(=O)[C@@H]1C[C@]12CCCc1ccccc12)c1ccc(-c2nnn[n-]2)cc1 ZINC000825812293 607433253 /nfs/dbraw/zinc/43/32/53/607433253.db2.gz JTNSRSBCSISVOC-RXVVDRJESA-N -1 3 359.433 3.124 20 0 FGADHM CN(C(=O)[C@@H]1C[C@]12CCCc1ccccc12)c1ccc(-c2nn[n-]n2)cc1 ZINC000825812293 607433255 /nfs/dbraw/zinc/43/32/55/607433255.db2.gz JTNSRSBCSISVOC-RXVVDRJESA-N -1 3 359.433 3.124 20 0 FGADHM COc1ccccc1[C@H](C)CC(=O)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826218398 607439293 /nfs/dbraw/zinc/43/92/93/607439293.db2.gz ASNKHVGYMARVFL-CYBMUJFWSA-N -1 3 351.410 3.032 20 0 FGADHM COc1ccccc1[C@H](C)CC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826218398 607439294 /nfs/dbraw/zinc/43/92/94/607439294.db2.gz ASNKHVGYMARVFL-CYBMUJFWSA-N -1 3 351.410 3.032 20 0 FGADHM COc1ccc([C@@H](C)CC(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826187963 607439342 /nfs/dbraw/zinc/43/93/42/607439342.db2.gz JQULMWSGXWUVPD-ZDUSSCGKSA-N -1 3 351.410 3.032 20 0 FGADHM COc1ccc([C@@H](C)CC(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826187963 607439343 /nfs/dbraw/zinc/43/93/43/607439343.db2.gz JQULMWSGXWUVPD-ZDUSSCGKSA-N -1 3 351.410 3.032 20 0 FGADHM Cc1nc(NC(=O)c2oc3ccccc3c2CN(C)C)sc1C(=O)[O-] ZINC000738361446 600383082 /nfs/dbraw/zinc/38/30/82/600383082.db2.gz QSPXSWDTLBBURX-UHFFFAOYSA-N -1 3 359.407 3.210 20 0 FGADHM CN(C(=O)COc1ccccc1C(C)(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825820798 607440184 /nfs/dbraw/zinc/44/01/84/607440184.db2.gz UGASVRACERBBFD-UHFFFAOYSA-N -1 3 365.437 3.206 20 0 FGADHM CN(C(=O)COc1ccccc1C(C)(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825820798 607440186 /nfs/dbraw/zinc/44/01/86/607440186.db2.gz UGASVRACERBBFD-UHFFFAOYSA-N -1 3 365.437 3.206 20 0 FGADHM O=C([O-])[C@H](c1ccccc1)N1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000738523985 600403934 /nfs/dbraw/zinc/40/39/34/600403934.db2.gz GBJCOVYJCPWRAP-SFHVURJKSA-N -1 3 354.406 3.019 20 0 FGADHM C[C@H]1C[C@@H](c2ccccc2)CN1CC(=O)NCc1ccc(NC(=O)[O-])cc1 ZINC000736761658 600629733 /nfs/dbraw/zinc/62/97/33/600629733.db2.gz OYUUGUFVCKESGY-MAUKXSAKSA-N -1 3 367.449 3.271 20 0 FGADHM O=C(N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826429394 607459957 /nfs/dbraw/zinc/45/99/57/607459957.db2.gz BHBVWVJOZYIBQS-JJRVBVJISA-N -1 3 366.469 3.124 20 0 FGADHM O=C(N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826429394 607459958 /nfs/dbraw/zinc/45/99/58/607459958.db2.gz BHBVWVJOZYIBQS-JJRVBVJISA-N -1 3 366.469 3.124 20 0 FGADHM CCN1CCN(c2ccc(C(=O)Nc3ccc(C)cc3C(=O)[O-])cc2)CC1 ZINC000737115624 600669580 /nfs/dbraw/zinc/66/95/80/600669580.db2.gz MQXUWVDVUHRPGD-UHFFFAOYSA-N -1 3 367.449 3.087 20 0 FGADHM Cc1oc(CN(C)CCC(=O)Nc2cc(F)cc(F)c2)cc1C(=O)[O-] ZINC000833025771 600680731 /nfs/dbraw/zinc/68/07/31/600680731.db2.gz UHVRSIVQIMEBCD-UHFFFAOYSA-N -1 3 352.337 3.025 20 0 FGADHM CN(C)C(=O)Nc1cccc(CN[C@H](C(=O)[O-])c2cccc(Cl)c2)c1 ZINC000830563070 600753239 /nfs/dbraw/zinc/75/32/39/600753239.db2.gz DDPRNLLKYDBGMI-INIZCTEOSA-N -1 3 361.829 3.349 20 0 FGADHM CCO[C@@H]1C[C@@H](N[C@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2C)C12CCCC2 ZINC000829930879 600760484 /nfs/dbraw/zinc/76/04/84/600760484.db2.gz DFJILBKRBMWRAH-ZTFGCOKTSA-N -1 3 374.481 3.348 20 0 FGADHM CC1CCN([C@H](CNC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)c2ccccc2)CC1 ZINC000828285546 600905884 /nfs/dbraw/zinc/90/58/84/600905884.db2.gz NBSKPTURIVMBLN-HSALFYBXSA-N -1 3 372.509 3.467 20 0 FGADHM C[C@@H]1CC[C@H](C)N1CC(=O)NC[C@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC000828213818 600950047 /nfs/dbraw/zinc/95/00/47/600950047.db2.gz DTBSPCPADCJYTB-FCEWJHQRSA-N -1 3 368.477 3.072 20 0 FGADHM C[C@@H]1CN([C@H](C(=O)[O-])c2ccccc2F)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000828414458 601015832 /nfs/dbraw/zinc/01/58/32/601015832.db2.gz ZVRKIVUHLQGWHC-KCXAZCMYSA-N -1 3 366.433 3.187 20 0 FGADHM COc1ccc(CN(C)[C@@H](C)c2cc(F)ccc2F)cc1-c1nnn[n-]1 ZINC000826192717 607486437 /nfs/dbraw/zinc/48/64/37/607486437.db2.gz YAXNNVVMGKNHIR-NSHDSACASA-N -1 3 359.380 3.347 20 0 FGADHM COc1ccc(CN(C)[C@@H](C)c2cc(F)ccc2F)cc1-c1nn[n-]n1 ZINC000826192717 607486438 /nfs/dbraw/zinc/48/64/38/607486438.db2.gz YAXNNVVMGKNHIR-NSHDSACASA-N -1 3 359.380 3.347 20 0 FGADHM O=C([O-])c1ccc2c(cnn2CN2CC[C@@H](COCc3ccccc3)C2)c1 ZINC000740202198 601093096 /nfs/dbraw/zinc/09/30/96/601093096.db2.gz BDRFMZOGQXLRIH-QGZVFWFLSA-N -1 3 365.433 3.231 20 0 FGADHM C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000828296107 601108655 /nfs/dbraw/zinc/10/86/55/601108655.db2.gz UNZUFTUNEBDQBA-NEWSRXKRSA-N -1 3 358.482 3.000 20 0 FGADHM C[C@@H]1C[C@H](Nc2nc(Cl)c(C(=O)[O-])s2)CCN1Cc1ccccc1 ZINC000379636643 601213642 /nfs/dbraw/zinc/21/36/42/601213642.db2.gz QFENFKHROSSZBX-DGCLKSJQSA-N -1 3 365.886 3.382 20 0 FGADHM C[C@H]1CN(Cc2ncc(-c3cccc(Br)c3)o2)C[C@@H]1C(=O)[O-] ZINC000828461942 601521639 /nfs/dbraw/zinc/52/16/39/601521639.db2.gz FOTFDBOMBZABTC-GWCFXTLKSA-N -1 3 365.227 3.257 20 0 FGADHM C[C@H]1CN(Cc2ncc(-c3ccc(Br)cc3)o2)C[C@H]1C(=O)[O-] ZINC000828464302 601531413 /nfs/dbraw/zinc/53/14/13/601531413.db2.gz TYQPXODAKPNKJQ-GXFFZTMASA-N -1 3 365.227 3.257 20 0 FGADHM C[C@H](C(=O)[O-])[C@H](NC(=O)Nc1cccc(CN(C)C)c1)c1ccccc1 ZINC000826038267 601603479 /nfs/dbraw/zinc/60/34/79/601603479.db2.gz DZBXHOXKBFKJJT-KSSFIOAISA-N -1 3 355.438 3.332 20 0 FGADHM C[C@H](C(=O)[O-])[C@H](NCC(=O)N(C)[C@@H](C)c1ccccc1)c1ccccc1 ZINC000826044508 601657211 /nfs/dbraw/zinc/65/72/11/601657211.db2.gz HQPRZIBNCIZKKE-FTRWYGJKSA-N -1 3 354.450 3.258 20 0 FGADHM O=C([O-])[C@@]1(NC(=O)c2ccc(Cl)cc2)CCCN(Cc2ccccc2)C1 ZINC000833128371 601733477 /nfs/dbraw/zinc/73/34/77/601733477.db2.gz DLNJBZFLHMEULA-HXUWFJFHSA-N -1 3 372.852 3.189 20 0 FGADHM O=C([O-])c1sccc1CN1CCC(NC(=O)C2CCCCC2)CC1 ZINC000833347471 601810952 /nfs/dbraw/zinc/81/09/52/601810952.db2.gz FZRUZBXCOVIHIK-UHFFFAOYSA-N -1 3 350.484 3.107 20 0 FGADHM CN(C)Cc1c2ccccc2oc1C(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000659774061 601819855 /nfs/dbraw/zinc/81/98/55/601819855.db2.gz GHXBZPLAETZPOR-UHFFFAOYSA-N -1 3 358.438 3.211 20 0 FGADHM O=C([O-])CCC1CCN(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)CC1 ZINC000659391880 601823053 /nfs/dbraw/zinc/82/30/53/601823053.db2.gz KYVCBDKRYVDQLJ-IBGZPJMESA-N -1 3 373.497 3.110 20 0 FGADHM C[C@@H]1CN(Cc2ccsc2C(=O)[O-])CC[C@@H]1NC(=O)OC(C)(C)C ZINC000828462422 601828965 /nfs/dbraw/zinc/82/89/65/601828965.db2.gz JLIWMFIOBGLEBC-YPMHNXCESA-N -1 3 354.472 3.181 20 0 FGADHM C[C@@]1(C(=O)[O-])CCN(Cn2nc3c4c2cccc4C(=O)c2ccccc2-3)C1 ZINC000828035510 601891718 /nfs/dbraw/zinc/89/17/18/601891718.db2.gz SAGZUDFOCNZGOX-OAQYLSRUSA-N -1 3 361.401 3.002 20 0 FGADHM CN(CCC(=O)Nc1ccccc1)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830727625 601899103 /nfs/dbraw/zinc/89/91/03/601899103.db2.gz ZAGCYJSCUQUBJX-KRWDZBQOSA-N -1 3 366.339 3.190 20 0 FGADHM C[C@@]1(C(=O)[O-])CCN(Cc2ncc(-c3ccc(Br)cc3)o2)C1 ZINC000263190119 601938699 /nfs/dbraw/zinc/93/86/99/601938699.db2.gz SQUXLFQINOFVKY-MRXNPFEDSA-N -1 3 365.227 3.401 20 0 FGADHM C[C@@H](CCC(=O)NCc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000824401605 607538458 /nfs/dbraw/zinc/53/84/58/607538458.db2.gz RCSIZMPLOOKKCC-ZDUSSCGKSA-N -1 3 353.401 3.206 20 0 FGADHM C[C@@H](CCC(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000824401605 607538459 /nfs/dbraw/zinc/53/84/59/607538459.db2.gz RCSIZMPLOOKKCC-ZDUSSCGKSA-N -1 3 353.401 3.206 20 0 FGADHM CCN1CCCC[C@@H]1CNC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000829771513 602009656 /nfs/dbraw/zinc/00/96/56/602009656.db2.gz YAJCSDSXZSEWOB-CQSZACIVSA-N -1 3 373.375 3.400 20 0 FGADHM O=C([O-])CNC(=O)CCN1CCC(=Cc2cc(Cl)ccc2Cl)CC1 ZINC000833250589 602021020 /nfs/dbraw/zinc/02/10/20/602021020.db2.gz MCGMQLXMTNEUCN-UHFFFAOYSA-N -1 3 371.264 3.064 20 0 FGADHM O=C([O-])Nc1ccc(NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)cn1 ZINC000740708179 602036082 /nfs/dbraw/zinc/03/60/82/602036082.db2.gz PDBNNCMLUYDYOL-CQSZACIVSA-N -1 3 372.400 3.161 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OCc1ccc(C(=O)OC(C)C)cc1 ZINC000826176187 607540441 /nfs/dbraw/zinc/54/04/41/607540441.db2.gz FVFZDPXYNRUOPW-UHFFFAOYSA-N -1 3 368.393 3.020 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OCc1ccc(C(=O)OC(C)C)cc1 ZINC000826176187 607540443 /nfs/dbraw/zinc/54/04/43/607540443.db2.gz FVFZDPXYNRUOPW-UHFFFAOYSA-N -1 3 368.393 3.020 20 0 FGADHM Cc1c(C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cnn1CCC(C)C ZINC000826234954 607540980 /nfs/dbraw/zinc/54/09/80/607540980.db2.gz WHIUVDKJTWYSBR-AWEZNQCLSA-N -1 3 368.441 3.336 20 0 FGADHM Cc1c(C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cnn1CCC(C)C ZINC000826234954 607540982 /nfs/dbraw/zinc/54/09/82/607540982.db2.gz WHIUVDKJTWYSBR-AWEZNQCLSA-N -1 3 368.441 3.336 20 0 FGADHM COc1cccc(Oc2ccc(CNC[C@@H]3CCCN3C(=O)[O-])cn2)c1 ZINC000739954362 602050486 /nfs/dbraw/zinc/05/04/86/602050486.db2.gz HCDHZAUKYWTVBL-HNNXBMFYSA-N -1 3 357.410 3.115 20 0 FGADHM CC[C@@H]1CN2CCCC[C@H]2CN1C(=O)NCCCCCCCC(=O)[O-] ZINC000829160694 602095177 /nfs/dbraw/zinc/09/51/77/602095177.db2.gz JBQUHZPFTIYLNA-SJORKVTESA-N -1 3 353.507 3.070 20 0 FGADHM COc1ccc(CNc2ccccc2N2CCCCC2)cc1-c1nnn[n-]1 ZINC000826203971 607545441 /nfs/dbraw/zinc/54/54/41/607545441.db2.gz PDWOXVZUJFHVBC-UHFFFAOYSA-N -1 3 364.453 3.478 20 0 FGADHM COc1ccc(CNc2ccccc2N2CCCCC2)cc1-c1nn[n-]n1 ZINC000826203971 607545443 /nfs/dbraw/zinc/54/54/43/607545443.db2.gz PDWOXVZUJFHVBC-UHFFFAOYSA-N -1 3 364.453 3.478 20 0 FGADHM FC(F)(F)c1cc(NC[C@H]2CCCn3ccnc32)ccc1-c1nnn[n-]1 ZINC000826368727 607558686 /nfs/dbraw/zinc/55/86/86/607558686.db2.gz ZNWZDTRHGPFTAY-SNVBAGLBSA-N -1 3 363.347 3.072 20 0 FGADHM FC(F)(F)c1cc(NC[C@H]2CCCn3ccnc32)ccc1-c1nn[n-]n1 ZINC000826368727 607558688 /nfs/dbraw/zinc/55/86/88/607558688.db2.gz ZNWZDTRHGPFTAY-SNVBAGLBSA-N -1 3 363.347 3.072 20 0 FGADHM O=C(OCC1CC=CC1)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000826462619 607562268 /nfs/dbraw/zinc/56/22/68/607562268.db2.gz CNTVSGLZVKAXSQ-UHFFFAOYSA-N -1 3 366.377 3.162 20 0 FGADHM O=C([O-])c1ccc(NC(=O)NC[C@@H]2CCCN2Cc2ccccc2)cc1F ZINC000390605102 602386952 /nfs/dbraw/zinc/38/69/52/602386952.db2.gz XIVWBDXGGARRAM-INIZCTEOSA-N -1 3 371.412 3.310 20 0 FGADHM CN(C)CCN(C(=O)c1ccc(F)c(NC(=O)[O-])c1)C1CCCCC1 ZINC000739607579 602486724 /nfs/dbraw/zinc/48/67/24/602486724.db2.gz XGPGLOWAYORBOJ-UHFFFAOYSA-N -1 3 351.422 3.252 20 0 FGADHM CC[C@H](SC)C(=O)Nc1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000825158818 607573676 /nfs/dbraw/zinc/57/36/76/607573676.db2.gz AVEXDYVVBHNNAW-LBPRGKRZSA-N -1 3 360.468 3.070 20 0 FGADHM CC[C@H](SC)C(=O)Nc1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000825158818 607573678 /nfs/dbraw/zinc/57/36/78/607573678.db2.gz AVEXDYVVBHNNAW-LBPRGKRZSA-N -1 3 360.468 3.070 20 0 FGADHM C[C@H]1CN(Cc2ccc(C(=O)Nc3ccccc3)cc2)CC[C@@H]1NC(=O)[O-] ZINC000739184346 602771796 /nfs/dbraw/zinc/77/17/96/602771796.db2.gz KFMBZNXXHRQLJT-KXBFYZLASA-N -1 3 367.449 3.417 20 0 FGADHM CN(C)Cc1c2ccccc2oc1C(=O)NCC[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739609452 603100452 /nfs/dbraw/zinc/10/04/52/603100452.db2.gz DWACRAVTSGKUNC-AWEZNQCLSA-N -1 3 373.453 3.004 20 0 FGADHM CN(C)Cc1cccc(NC(=O)Nc2cccc3c2CCN(C(=O)[O-])C3)c1 ZINC000739613778 603248059 /nfs/dbraw/zinc/24/80/59/603248059.db2.gz CIDLEIBWVDVUCF-UHFFFAOYSA-N -1 3 368.437 3.428 20 0 FGADHM O=C([O-])Nc1ccc(CNCCOc2ccccc2C(F)(F)F)cn1 ZINC000832842507 603550714 /nfs/dbraw/zinc/55/07/14/603550714.db2.gz YWMQSDWJHTWPFK-UHFFFAOYSA-N -1 3 355.316 3.359 20 0 FGADHM CCN(CC(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1)c1cccc(Cl)c1 ZINC000825399558 607641492 /nfs/dbraw/zinc/64/14/92/607641492.db2.gz XUVGETWJERHSLC-UHFFFAOYSA-N -1 3 374.832 3.195 20 0 FGADHM CN(C)Cc1ccc(-c2noc(-c3ccc(CNC(=O)[O-])cc3)n2)cc1 ZINC000828042439 603637321 /nfs/dbraw/zinc/63/73/21/603637321.db2.gz DQKQEYVYQSQDSK-UHFFFAOYSA-N -1 3 352.394 3.233 20 0 FGADHM Cc1ccc(CSCCNC(=O)c2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000826288672 607650564 /nfs/dbraw/zinc/65/05/64/607650564.db2.gz RJJUNKKCFKEWEM-UHFFFAOYSA-N -1 3 367.478 3.147 20 0 FGADHM Cc1ccc(CSCCNC(=O)c2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000826288672 607650566 /nfs/dbraw/zinc/65/05/66/607650566.db2.gz RJJUNKKCFKEWEM-UHFFFAOYSA-N -1 3 367.478 3.147 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1-c1nc(-c2nccc3ccccc32)no1 ZINC000826243815 607660060 /nfs/dbraw/zinc/66/00/60/607660060.db2.gz WMNOHKDTVLGXLX-UHFFFAOYSA-N -1 3 355.361 3.440 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1-c1nc(-c2nccc3ccccc32)no1 ZINC000826243815 607660062 /nfs/dbraw/zinc/66/00/62/607660062.db2.gz WMNOHKDTVLGXLX-UHFFFAOYSA-N -1 3 355.361 3.440 20 0 FGADHM C[C@H](c1cc2ccccc2o1)N(C)C(=O)CN(C)C1CCN(C(=O)[O-])CC1 ZINC000825622617 603982376 /nfs/dbraw/zinc/98/23/76/603982376.db2.gz DHPQPXIVYWPKKB-CQSZACIVSA-N -1 3 373.453 3.026 20 0 FGADHM O=C([O-])N[C@@H](Cc1ccccc1)[C@@H](O)CN1CCCC[C@@H]1c1ccco1 ZINC000832757312 604058246 /nfs/dbraw/zinc/05/82/46/604058246.db2.gz BWQFUTISJYHBBQ-KSZLIROESA-N -1 3 358.438 3.046 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(Cc1cccc(F)c1)C(C)C ZINC000826243912 607669901 /nfs/dbraw/zinc/66/99/01/607669901.db2.gz AFQKUEYOJUYYFG-UHFFFAOYSA-N -1 3 353.401 3.365 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(Cc1cccc(F)c1)C(C)C ZINC000826243912 607669902 /nfs/dbraw/zinc/66/99/02/607669902.db2.gz AFQKUEYOJUYYFG-UHFFFAOYSA-N -1 3 353.401 3.365 20 0 FGADHM Cc1ccc(C)n1C1CCN(C(=O)c2ccc(-c3nnn[n-]3)cc2C)CC1 ZINC000826245181 607676498 /nfs/dbraw/zinc/67/64/98/607676498.db2.gz PXDUZSNAPJYUTM-UHFFFAOYSA-N -1 3 364.453 3.071 20 0 FGADHM Cc1ccc(C)n1C1CCN(C(=O)c2ccc(-c3nn[n-]n3)cc2C)CC1 ZINC000826245181 607676500 /nfs/dbraw/zinc/67/65/00/607676500.db2.gz PXDUZSNAPJYUTM-UHFFFAOYSA-N -1 3 364.453 3.071 20 0 FGADHM Cc1ccc2c(CN3CCC[C@H]([C@@H](C)NC(=O)[O-])C3)cc(=O)oc2c1C ZINC000830440211 604202263 /nfs/dbraw/zinc/20/22/63/604202263.db2.gz VOGHEFMEGWUWBX-CABCVRRESA-N -1 3 358.438 3.278 20 0 FGADHM C[C@H]1CCN(C(=O)c2ccc(C(=O)[O-])c(F)c2)CCN1Cc1ccccc1 ZINC000828284299 604295931 /nfs/dbraw/zinc/29/59/31/604295931.db2.gz CWDZXUSIZWHEBU-HNNXBMFYSA-N -1 3 370.424 3.261 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NC1(c2ccc(Cl)cc2)CC1 ZINC000826246620 607687835 /nfs/dbraw/zinc/68/78/35/607687835.db2.gz HTACUHARCOIVOQ-UHFFFAOYSA-N -1 3 353.813 3.248 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NC1(c2ccc(Cl)cc2)CC1 ZINC000826246620 607687837 /nfs/dbraw/zinc/68/78/37/607687837.db2.gz HTACUHARCOIVOQ-UHFFFAOYSA-N -1 3 353.813 3.248 20 0 FGADHM Cc1ccc(CN(C)C)cc1NC(=O)C[C@H](C)[C@H]1CCCN(C(=O)[O-])C1 ZINC000830307240 604391532 /nfs/dbraw/zinc/39/15/32/604391532.db2.gz AGRSVUXQQWXPFC-RDJZCZTQSA-N -1 3 361.486 3.411 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000826243906 607693454 /nfs/dbraw/zinc/69/34/54/607693454.db2.gz ABNVVLVBQWTHBE-HNNXBMFYSA-N -1 3 365.412 3.019 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000826243906 607693455 /nfs/dbraw/zinc/69/34/55/607693455.db2.gz ABNVVLVBQWTHBE-HNNXBMFYSA-N -1 3 365.412 3.019 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCCc2cc(F)cc(C)c21 ZINC000826245251 607693925 /nfs/dbraw/zinc/69/39/25/607693925.db2.gz SDSDIVJDLNNWNT-UHFFFAOYSA-N -1 3 351.385 3.216 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCCc2cc(F)cc(C)c21 ZINC000826245251 607693927 /nfs/dbraw/zinc/69/39/27/607693927.db2.gz SDSDIVJDLNNWNT-UHFFFAOYSA-N -1 3 351.385 3.216 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000826246737 607694350 /nfs/dbraw/zinc/69/43/50/607694350.db2.gz KHEFRHDHWKIJNY-VQIMIIECSA-N -1 3 361.449 3.316 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000826246737 607694353 /nfs/dbraw/zinc/69/43/53/607694353.db2.gz KHEFRHDHWKIJNY-VQIMIIECSA-N -1 3 361.449 3.316 20 0 FGADHM CCCCCn1nc(C)cc1NC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000825282201 607699331 /nfs/dbraw/zinc/69/93/31/607699331.db2.gz QTFBGVWDYSZQLO-UHFFFAOYSA-N -1 3 353.430 3.123 20 0 FGADHM CCCCCn1nc(C)cc1NC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000825282201 607699334 /nfs/dbraw/zinc/69/93/34/607699334.db2.gz QTFBGVWDYSZQLO-UHFFFAOYSA-N -1 3 353.430 3.123 20 0 FGADHM Cc1sc(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)nc1-c1ccc(F)cc1 ZINC000826349750 607704101 /nfs/dbraw/zinc/70/41/01/607704101.db2.gz TUBMPPDIGWVIDV-UHFFFAOYSA-N -1 3 369.385 3.018 20 0 FGADHM Cc1sc(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)nc1-c1ccc(F)cc1 ZINC000826349750 607704102 /nfs/dbraw/zinc/70/41/02/607704102.db2.gz TUBMPPDIGWVIDV-UHFFFAOYSA-N -1 3 369.385 3.018 20 0 FGADHM CC(C)(C)OC(=O)Nc1ccc(CN2CCC3(C[C@H]3C(=O)[O-])CC2)cn1 ZINC000833444558 604652681 /nfs/dbraw/zinc/65/26/81/604652681.db2.gz FLRPGKABBDBSAU-AWEZNQCLSA-N -1 3 361.442 3.115 20 0 FGADHM CCO[C@@H]1C[C@H](N(C)Cc2c(C)nn(CCC(=O)[O-])c2C)C12CCCC2 ZINC000833660063 604661639 /nfs/dbraw/zinc/66/16/39/604661639.db2.gz LLNMXTJRPHTSBW-ZWKOTPCHSA-N -1 3 363.502 3.144 20 0 FGADHM COc1ccccc1[C@H](CN[C@@H](C)c1ccc2c(c1)OCCO2)NC(=O)[O-] ZINC000829597647 604759869 /nfs/dbraw/zinc/75/98/69/604759869.db2.gz JNZGVPDAABQLIT-BBRMVZONSA-N -1 3 372.421 3.126 20 0 FGADHM C[C@H]1[C@@H](c2ccccc2)c2ccccc2CCN1Cn1cc(C(=O)[O-])nn1 ZINC000828151623 604974567 /nfs/dbraw/zinc/97/45/67/604974567.db2.gz XEKNYLLXWSJKQO-YWZLYKJASA-N -1 3 362.433 3.013 20 0 FGADHM CC(C)Cc1ccc([C@H](NCC(=O)N2CCC(C(=O)[O-])CC2)C2CC2)cc1 ZINC000833491962 605011593 /nfs/dbraw/zinc/01/15/93/605011593.db2.gz CHZJYYAOKPWVBC-NRFANRHFSA-N -1 3 372.509 3.249 20 0 FGADHM Cc1scc(C(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)c1C ZINC000833759180 605014540 /nfs/dbraw/zinc/01/45/40/605014540.db2.gz SZTUVRPBGBECIZ-FQEVSTJZSA-N -1 3 372.490 3.214 20 0 FGADHM C[C@@H](C[C@@H](O)c1cccs1)Nc1nc2ccccc2cc1-c1nnn[n-]1 ZINC000824394896 607733467 /nfs/dbraw/zinc/73/34/67/607733467.db2.gz ZRMMVHMTMPXLOH-XHDPSFHLSA-N -1 3 366.450 3.401 20 0 FGADHM C[C@@H](C[C@@H](O)c1cccs1)Nc1nc2ccccc2cc1-c1nn[n-]n1 ZINC000824394896 607733468 /nfs/dbraw/zinc/73/34/68/607733468.db2.gz ZRMMVHMTMPXLOH-XHDPSFHLSA-N -1 3 366.450 3.401 20 0 FGADHM O[C@H](c1ccccc1)C1(CNc2nc3ccccc3cc2-c2nnn[n-]2)CC1 ZINC000826505520 607735278 /nfs/dbraw/zinc/73/52/78/607735278.db2.gz XLXNYIDMBSNEQC-GOSISDBHSA-N -1 3 372.432 3.341 20 0 FGADHM O[C@H](c1ccccc1)C1(CNc2nc3ccccc3cc2-c2nn[n-]n2)CC1 ZINC000826505520 607735279 /nfs/dbraw/zinc/73/52/79/607735279.db2.gz XLXNYIDMBSNEQC-GOSISDBHSA-N -1 3 372.432 3.341 20 0 FGADHM C[C@@]1(C(=O)[O-])CCN(Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000263533851 605246327 /nfs/dbraw/zinc/24/63/27/605246327.db2.gz YBCOVGYTCILJGQ-CQSZACIVSA-N -1 3 364.186 3.347 20 0 FGADHM CCCN(CC(=O)Nc1c(C)cccc1CC)C1CCN(C(=O)[O-])CC1 ZINC000826897918 605470477 /nfs/dbraw/zinc/47/04/77/605470477.db2.gz PUCOGYJZJWQCEC-UHFFFAOYSA-N -1 3 361.486 3.350 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CC[C@@H]1Cc1ccccc1 ZINC000826452479 607758155 /nfs/dbraw/zinc/75/81/55/607758155.db2.gz UYQJWHZXTYANCX-CQSZACIVSA-N -1 3 368.828 3.369 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CC[C@@H]1Cc1ccccc1 ZINC000826452479 607758156 /nfs/dbraw/zinc/75/81/56/607758156.db2.gz UYQJWHZXTYANCX-CQSZACIVSA-N -1 3 368.828 3.369 20 0 FGADHM Cc1nn(Cc2ccccc2)c(C)c1CN1CCC(CNC(=O)[O-])CC1 ZINC000833920823 605485665 /nfs/dbraw/zinc/48/56/65/605485665.db2.gz NPLGWMKPZQYGGE-UHFFFAOYSA-N -1 3 356.470 3.028 20 0 FGADHM O=C([O-])N1CCC(N(Cc2cnc(-c3ccccn3)s2)C2CC2)CC1 ZINC000834086459 605495455 /nfs/dbraw/zinc/49/54/55/605495455.db2.gz ZDVACTXZLDFXGO-UHFFFAOYSA-N -1 3 358.467 3.312 20 0 FGADHM CCOC(=O)Nc1ccc(NC(=O)[C@H]2CCC[C@@H](C)C2)cc1-c1nnn[n-]1 ZINC000825531469 607759976 /nfs/dbraw/zinc/75/99/76/607759976.db2.gz LAYOHLLFGIIAPL-NEPJUHHUSA-N -1 3 372.429 3.200 20 0 FGADHM CCOC(=O)Nc1ccc(NC(=O)[C@H]2CCC[C@@H](C)C2)cc1-c1nn[n-]n1 ZINC000825531469 607759977 /nfs/dbraw/zinc/75/99/77/607759977.db2.gz LAYOHLLFGIIAPL-NEPJUHHUSA-N -1 3 372.429 3.200 20 0 FGADHM CCOC(=O)Nc1ccc(NC(=O)[C@@H]2CCC[C@@H](C)C2)cc1-c1nnn[n-]1 ZINC000825531475 607760102 /nfs/dbraw/zinc/76/01/02/607760102.db2.gz LAYOHLLFGIIAPL-VXGBXAGGSA-N -1 3 372.429 3.200 20 0 FGADHM CCOC(=O)Nc1ccc(NC(=O)[C@@H]2CCC[C@@H](C)C2)cc1-c1nn[n-]n1 ZINC000825531475 607760103 /nfs/dbraw/zinc/76/01/03/607760103.db2.gz LAYOHLLFGIIAPL-VXGBXAGGSA-N -1 3 372.429 3.200 20 0 FGADHM CCOC(=O)Nc1ccc(NC(=O)[C@H]2CCC[C@H](C)C2)cc1-c1nnn[n-]1 ZINC000825531473 607760123 /nfs/dbraw/zinc/76/01/23/607760123.db2.gz LAYOHLLFGIIAPL-RYUDHWBXSA-N -1 3 372.429 3.200 20 0 FGADHM CCOC(=O)Nc1ccc(NC(=O)[C@H]2CCC[C@H](C)C2)cc1-c1nn[n-]n1 ZINC000825531473 607760124 /nfs/dbraw/zinc/76/01/24/607760124.db2.gz LAYOHLLFGIIAPL-RYUDHWBXSA-N -1 3 372.429 3.200 20 0 FGADHM O=C(NCC1(C2CC2)CC1)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826433704 607764782 /nfs/dbraw/zinc/76/47/82/607764782.db2.gz OLDBTYNYZPFKET-UHFFFAOYSA-N -1 3 366.347 3.197 20 0 FGADHM O=C(NCC1(C2CC2)CC1)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826433704 607764783 /nfs/dbraw/zinc/76/47/83/607764783.db2.gz OLDBTYNYZPFKET-UHFFFAOYSA-N -1 3 366.347 3.197 20 0 FGADHM Cc1noc(C)c1CCN[C@@H]1C[C@@]2(CCN(C(=O)[O-])C2)Oc2ccccc21 ZINC000833930357 605635747 /nfs/dbraw/zinc/63/57/47/605635747.db2.gz DXDJALIGJPECRJ-YLJYHZDGSA-N -1 3 371.437 3.070 20 0 FGADHM CCc1ccc(NC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1F ZINC000825712940 607767813 /nfs/dbraw/zinc/76/78/13/607767813.db2.gz XPUYYLIRJZQIAZ-UHFFFAOYSA-N -1 3 358.352 3.029 20 0 FGADHM CCc1ccc(NC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1F ZINC000825712940 607767814 /nfs/dbraw/zinc/76/78/14/607767814.db2.gz XPUYYLIRJZQIAZ-UHFFFAOYSA-N -1 3 358.352 3.029 20 0 FGADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)Nc1cccc2ccsc21 ZINC000826443028 607768393 /nfs/dbraw/zinc/76/83/93/607768393.db2.gz WWEAPAHMWJNUFP-UHFFFAOYSA-N -1 3 350.407 3.403 20 0 FGADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)Nc1cccc2ccsc21 ZINC000826443028 607768394 /nfs/dbraw/zinc/76/83/94/607768394.db2.gz WWEAPAHMWJNUFP-UHFFFAOYSA-N -1 3 350.407 3.403 20 0 FGADHM Cc1ncsc1C(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000826331618 607768700 /nfs/dbraw/zinc/76/87/00/607768700.db2.gz QQIWHFPLBGMRBN-UHFFFAOYSA-N -1 3 369.435 3.007 20 0 FGADHM Cc1ncsc1C(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826331618 607768701 /nfs/dbraw/zinc/76/87/01/607768701.db2.gz QQIWHFPLBGMRBN-UHFFFAOYSA-N -1 3 369.435 3.007 20 0 FGADHM O=C([O-])Nc1ccc(CN2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)cn1 ZINC000834259484 605674158 /nfs/dbraw/zinc/67/41/58/605674158.db2.gz ATSLNQXWRVVVPZ-IAGOWNOFSA-N -1 3 359.401 3.399 20 0 FGADHM O=C([O-])Nc1ccc(CN2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)cn1 ZINC000834259483 605674342 /nfs/dbraw/zinc/67/43/42/605674342.db2.gz ATSLNQXWRVVVPZ-DLBZAZTESA-N -1 3 359.401 3.399 20 0 FGADHM O=C([O-])N[C@H]1C[C@H](NCc2ccccc2N2CCOCC2)c2ccccc21 ZINC000834158521 605794364 /nfs/dbraw/zinc/79/43/64/605794364.db2.gz OAGWBJCNYSSWKJ-OALUTQOASA-N -1 3 367.449 3.067 20 0 FGADHM O=C([O-])N1CCC2(CCN(C[C@H](O)c3ccccc3C(F)(F)F)C2)CC1 ZINC000834095187 605898082 /nfs/dbraw/zinc/89/80/82/605898082.db2.gz YMGLLMUGBGXUNW-HNNXBMFYSA-N -1 3 372.387 3.205 20 0 FGADHM c1ccc(COc2ccc(CNc3ccc(-c4nnn[n-]4)nc3)cc2)cc1 ZINC000823788086 606048466 /nfs/dbraw/zinc/04/84/66/606048466.db2.gz UTQFXDLSSPESDK-UHFFFAOYSA-N -1 3 358.405 3.453 20 0 FGADHM c1ccc(COc2ccc(CNc3ccc(-c4nn[n-]n4)nc3)cc2)cc1 ZINC000823788086 606048471 /nfs/dbraw/zinc/04/84/71/606048471.db2.gz UTQFXDLSSPESDK-UHFFFAOYSA-N -1 3 358.405 3.453 20 0 FGADHM O=C(Nc1cccc(CNc2ccc(-c3nnn[n-]3)nc2)c1)C1CCCC1 ZINC000823363824 606051058 /nfs/dbraw/zinc/05/10/58/606051058.db2.gz OZOYSQKNQXDZRX-UHFFFAOYSA-N -1 3 363.425 3.003 20 0 FGADHM O=C(Nc1cccc(CNc2ccc(-c3nn[n-]n3)nc2)c1)C1CCCC1 ZINC000823363824 606051062 /nfs/dbraw/zinc/05/10/62/606051062.db2.gz OZOYSQKNQXDZRX-UHFFFAOYSA-N -1 3 363.425 3.003 20 0 FGADHM Fc1ccc(Oc2cc(CNc3ccc(-c4nnn[n-]4)nc3)ccn2)cc1 ZINC000822782748 606064780 /nfs/dbraw/zinc/06/47/80/606064780.db2.gz FBHSDFYQHMGWNZ-UHFFFAOYSA-N -1 3 363.356 3.200 20 0 FGADHM Fc1ccc(Oc2cc(CNc3ccc(-c4nn[n-]n4)nc3)ccn2)cc1 ZINC000822782748 606064785 /nfs/dbraw/zinc/06/47/85/606064785.db2.gz FBHSDFYQHMGWNZ-UHFFFAOYSA-N -1 3 363.356 3.200 20 0 FGADHM CC1CCC(Oc2cc(CNc3ccc(-c4nnn[n-]4)nc3)ccn2)CC1 ZINC000820690746 606086325 /nfs/dbraw/zinc/08/63/25/606086325.db2.gz REQSPYAPVXMZMA-UHFFFAOYSA-N -1 3 365.441 3.226 20 0 FGADHM CC1CCC(Oc2cc(CNc3ccc(-c4nn[n-]n4)nc3)ccn2)CC1 ZINC000820690746 606086328 /nfs/dbraw/zinc/08/63/28/606086328.db2.gz REQSPYAPVXMZMA-UHFFFAOYSA-N -1 3 365.441 3.226 20 0 FGADHM c1ccc2c(c1)CCCCN2Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000823738355 606087920 /nfs/dbraw/zinc/08/79/20/606087920.db2.gz RYOJZZOCYRZVIW-UHFFFAOYSA-N -1 3 373.420 3.260 20 0 FGADHM c1ccc2c(c1)CCCCN2Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000823738355 606087923 /nfs/dbraw/zinc/08/79/23/606087923.db2.gz RYOJZZOCYRZVIW-UHFFFAOYSA-N -1 3 373.420 3.260 20 0 FGADHM FC(F)CN(Cc1cn2ccccc2c1-c1nnn[n-]1)Cc1ccccc1 ZINC000822732943 606094878 /nfs/dbraw/zinc/09/48/78/606094878.db2.gz PDJHKKZCDDAVID-UHFFFAOYSA-N -1 3 368.391 3.387 20 0 FGADHM FC(F)CN(Cc1cn2ccccc2c1-c1nn[n-]n1)Cc1ccccc1 ZINC000822732943 606094879 /nfs/dbraw/zinc/09/48/79/606094879.db2.gz PDJHKKZCDDAVID-UHFFFAOYSA-N -1 3 368.391 3.387 20 0 FGADHM C[C@H](COCc1ccccc1)Nc1nc2ccccc2cc1-c1nnn[n-]1 ZINC000820286605 606096272 /nfs/dbraw/zinc/09/62/72/606096272.db2.gz CVKNYUHZXWNJRK-CQSZACIVSA-N -1 3 360.421 3.432 20 0 FGADHM C[C@H](COCc1ccccc1)Nc1nc2ccccc2cc1-c1nn[n-]n1 ZINC000820286605 606096274 /nfs/dbraw/zinc/09/62/74/606096274.db2.gz CVKNYUHZXWNJRK-CQSZACIVSA-N -1 3 360.421 3.432 20 0 FGADHM CCN(CC(=O)Nc1sc(C)c(C)c1-c1nnn[n-]1)c1ccccc1F ZINC000821171013 606109557 /nfs/dbraw/zinc/10/95/57/606109557.db2.gz ZXEWJYHRXVAPHG-UHFFFAOYSA-N -1 3 374.445 3.149 20 0 FGADHM CCN(CC(=O)Nc1sc(C)c(C)c1-c1nn[n-]n1)c1ccccc1F ZINC000821171013 606109559 /nfs/dbraw/zinc/10/95/59/606109559.db2.gz ZXEWJYHRXVAPHG-UHFFFAOYSA-N -1 3 374.445 3.149 20 0 FGADHM CC[C@@H](C)Oc1ccc(C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000820876868 606112738 /nfs/dbraw/zinc/11/27/38/606112738.db2.gz VEFASRFUSBYWIT-GFCCVEGCSA-N -1 3 369.400 3.113 20 0 FGADHM CC[C@@H](C)Oc1ccc(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000820876868 606112739 /nfs/dbraw/zinc/11/27/39/606112739.db2.gz VEFASRFUSBYWIT-GFCCVEGCSA-N -1 3 369.400 3.113 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)Nc1ccc2c(c1)C(=O)CCC2 ZINC000822937135 606119549 /nfs/dbraw/zinc/11/95/49/606119549.db2.gz ZYPLGJQMHAUGSH-LUAWRHEFSA-N -1 3 359.389 3.038 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)Nc1ccc2c(c1)C(=O)CCC2 ZINC000822937135 606119551 /nfs/dbraw/zinc/11/95/51/606119551.db2.gz ZYPLGJQMHAUGSH-LUAWRHEFSA-N -1 3 359.389 3.038 20 0 FGADHM COc1cc(F)c([C@H](C)OC(=O)c2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000821719605 606131347 /nfs/dbraw/zinc/13/13/47/606131347.db2.gz FZMWPBGCMXVXOP-VIFPVBQESA-N -1 3 360.320 3.072 20 0 FGADHM COc1cc(F)c([C@H](C)OC(=O)c2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000821719605 606131348 /nfs/dbraw/zinc/13/13/48/606131348.db2.gz FZMWPBGCMXVXOP-VIFPVBQESA-N -1 3 360.320 3.072 20 0 FGADHM CC(C)Cn1cc(NC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cn1 ZINC000820108313 606132344 /nfs/dbraw/zinc/13/23/44/606132344.db2.gz IGXPPGLCJCNKSK-UHFFFAOYSA-N -1 3 360.809 3.017 20 0 FGADHM CC(C)Cn1cc(NC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cn1 ZINC000820108313 606132347 /nfs/dbraw/zinc/13/23/47/606132347.db2.gz IGXPPGLCJCNKSK-UHFFFAOYSA-N -1 3 360.809 3.017 20 0 FGADHM C[C@@H]1[C@H](Cc2ccccc2)CCN1c1ncc(-c2nnn[n-]2)cc1Cl ZINC000820641515 606138478 /nfs/dbraw/zinc/13/84/78/606138478.db2.gz CWSMSTLPJWCTIJ-OCCSQVGLSA-N -1 3 354.845 3.373 20 0 FGADHM C[C@@H]1[C@H](Cc2ccccc2)CCN1c1ncc(-c2nn[n-]n2)cc1Cl ZINC000820641515 606138480 /nfs/dbraw/zinc/13/84/80/606138480.db2.gz CWSMSTLPJWCTIJ-OCCSQVGLSA-N -1 3 354.845 3.373 20 0 FGADHM CC[C@@H](Oc1cccc(C)c1)C(=O)OCc1ccc(-c2nnn[n-]2)cc1F ZINC000820939055 606140170 /nfs/dbraw/zinc/14/01/70/606140170.db2.gz PJYJQZVHVPXGTD-QGZVFWFLSA-N -1 3 370.384 3.215 20 0 FGADHM CC[C@@H](Oc1cccc(C)c1)C(=O)OCc1ccc(-c2nn[n-]n2)cc1F ZINC000820939055 606140171 /nfs/dbraw/zinc/14/01/71/606140171.db2.gz PJYJQZVHVPXGTD-QGZVFWFLSA-N -1 3 370.384 3.215 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)OCc1csc(C2CCCC2)n1 ZINC000823112199 606142690 /nfs/dbraw/zinc/14/26/90/606142690.db2.gz UHRBQLVFPAWYOW-UHFFFAOYSA-N -1 3 369.450 3.267 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)OCc1csc(C2CCCC2)n1 ZINC000823112199 606142691 /nfs/dbraw/zinc/14/26/91/606142691.db2.gz UHRBQLVFPAWYOW-UHFFFAOYSA-N -1 3 369.450 3.267 20 0 FGADHM O=C(C/C=C/c1ccc(F)cc1)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000822945703 606148068 /nfs/dbraw/zinc/14/80/68/606148068.db2.gz OELOKXHEWWLOOD-OWOJBTEDSA-N -1 3 356.332 3.292 20 0 FGADHM O=C(C/C=C/c1ccc(F)cc1)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000822945703 606148070 /nfs/dbraw/zinc/14/80/70/606148070.db2.gz OELOKXHEWWLOOD-OWOJBTEDSA-N -1 3 356.332 3.292 20 0 FGADHM O=C(C/C=C/c1ccc(F)cc1)OCCOc1cccc(-c2nnn[n-]2)c1 ZINC000822945430 606148355 /nfs/dbraw/zinc/14/83/55/606148355.db2.gz FBIUFSOOVSAPSN-HNQUOIGGSA-N -1 3 368.368 3.031 20 0 FGADHM O=C(C/C=C/c1ccc(F)cc1)OCCOc1cccc(-c2nn[n-]n2)c1 ZINC000822945430 606148357 /nfs/dbraw/zinc/14/83/57/606148357.db2.gz FBIUFSOOVSAPSN-HNQUOIGGSA-N -1 3 368.368 3.031 20 0 FGADHM Cn1cccc1[C@H]1CCCCN1C(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000822690512 606166616 /nfs/dbraw/zinc/16/66/16/606166616.db2.gz ZYOKKCDAAQZHNY-MRXNPFEDSA-N -1 3 367.482 3.129 20 0 FGADHM Cn1cccc1[C@H]1CCCCN1C(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000822690512 606166617 /nfs/dbraw/zinc/16/66/17/606166617.db2.gz ZYOKKCDAAQZHNY-MRXNPFEDSA-N -1 3 367.482 3.129 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)Cc1ccc(C)cc1 ZINC000821122944 606192539 /nfs/dbraw/zinc/19/25/39/606192539.db2.gz CVBANDHXDODBNO-UHFFFAOYSA-N -1 3 350.426 3.178 20 0 FGADHM C/C=C(\C)C(=O)Nc1ccc(Oc2ncccc2-c2nnn[n-]2)cc1C ZINC000820827589 606201898 /nfs/dbraw/zinc/20/18/98/606201898.db2.gz UOEHBPYNYKQLTG-NYYWCZLTSA-N -1 3 350.382 3.267 20 0 FGADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1ccc2oc3ccccc3c2c1 ZINC000822650610 606208118 /nfs/dbraw/zinc/20/81/18/606208118.db2.gz WOIDFTBIJJNCJI-UHFFFAOYSA-N -1 3 358.361 3.357 20 0 FGADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1ccc2oc3ccccc3c2c1 ZINC000822650610 606208119 /nfs/dbraw/zinc/20/81/19/606208119.db2.gz WOIDFTBIJJNCJI-UHFFFAOYSA-N -1 3 358.361 3.357 20 0 FGADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)OCc1sc2ccccc2c1Cl ZINC000822664858 606217500 /nfs/dbraw/zinc/21/75/00/606217500.db2.gz BWHFECKDYTTYCD-UHFFFAOYSA-N -1 3 373.825 3.430 20 0 FGADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)OCc1sc2ccccc2c1Cl ZINC000822664858 606217502 /nfs/dbraw/zinc/21/75/02/606217502.db2.gz BWHFECKDYTTYCD-UHFFFAOYSA-N -1 3 373.825 3.430 20 0 FGADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1ccc(-c2ccccc2)cc1F ZINC000822645800 606225251 /nfs/dbraw/zinc/22/52/51/606225251.db2.gz PQDMDIJYUYNJTC-UHFFFAOYSA-N -1 3 362.368 3.264 20 0 FGADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1ccc(-c2ccccc2)cc1F ZINC000822645800 606225252 /nfs/dbraw/zinc/22/52/52/606225252.db2.gz PQDMDIJYUYNJTC-UHFFFAOYSA-N -1 3 362.368 3.264 20 0 FGADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N1Cc2ccccc2-c2ccccc21 ZINC000822631838 606231438 /nfs/dbraw/zinc/23/14/38/606231438.db2.gz JWMLQEVAEAYHEH-UHFFFAOYSA-N -1 3 356.389 3.033 20 0 FGADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N1Cc2ccccc2-c2ccccc21 ZINC000822631838 606231439 /nfs/dbraw/zinc/23/14/39/606231439.db2.gz JWMLQEVAEAYHEH-UHFFFAOYSA-N -1 3 356.389 3.033 20 0 FGADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1cccc(-c2cccs2)c1 ZINC000822649702 606242685 /nfs/dbraw/zinc/24/26/85/606242685.db2.gz JROSRSVZFHXJLN-UHFFFAOYSA-N -1 3 350.407 3.186 20 0 FGADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1cccc(-c2cccs2)c1 ZINC000822649702 606242687 /nfs/dbraw/zinc/24/26/87/606242687.db2.gz JROSRSVZFHXJLN-UHFFFAOYSA-N -1 3 350.407 3.186 20 0 FGADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1ccc(SC(C)(C)C)cc1 ZINC000822650598 606242734 /nfs/dbraw/zinc/24/27/34/606242734.db2.gz WDKDNSCABZEOKX-UHFFFAOYSA-N -1 3 356.455 3.348 20 0 FGADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1ccc(SC(C)(C)C)cc1 ZINC000822650598 606242735 /nfs/dbraw/zinc/24/27/35/606242735.db2.gz WDKDNSCABZEOKX-UHFFFAOYSA-N -1 3 356.455 3.348 20 0 FGADHM C[C@]1(CNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CCCC[C@H]1O ZINC000820623280 606242960 /nfs/dbraw/zinc/24/29/60/606242960.db2.gz KQNRIVDJBVAFCC-UKRRQHHQSA-N -1 3 355.364 3.239 20 0 FGADHM C[C@]1(CNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CCCC[C@H]1O ZINC000820623280 606242961 /nfs/dbraw/zinc/24/29/61/606242961.db2.gz KQNRIVDJBVAFCC-UKRRQHHQSA-N -1 3 355.364 3.239 20 0 FGADHM Cc1cc(C)c(N[C@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)c(C)c1 ZINC000822194199 606245617 /nfs/dbraw/zinc/24/56/17/606245617.db2.gz MSIRRKVUGNQYBM-AWEZNQCLSA-N -1 3 368.466 3.071 20 0 FGADHM Cc1cc(C)c(N[C@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)c(C)c1 ZINC000822194199 606245618 /nfs/dbraw/zinc/24/56/18/606245618.db2.gz MSIRRKVUGNQYBM-AWEZNQCLSA-N -1 3 368.466 3.071 20 0 FGADHM O=c1nc(-c2cc(-c3nnn[n-]3)cs2)[nH]c2sc3c(c21)CCCC3 ZINC000823652011 606245933 /nfs/dbraw/zinc/24/59/33/606245933.db2.gz VVQGADTVWJSRRI-UHFFFAOYSA-N -1 3 356.436 3.184 20 0 FGADHM O=c1nc(-c2cc(-c3nn[n-]n3)cs2)[nH]c2sc3c(c21)CCCC3 ZINC000823652011 606245935 /nfs/dbraw/zinc/24/59/35/606245935.db2.gz VVQGADTVWJSRRI-UHFFFAOYSA-N -1 3 356.436 3.184 20 0 FGADHM Cc1ccc([C@H]2[C@H](C)CCCN2C(=O)c2cc(-c3nnn[n-]3)cn2C)cc1 ZINC000822232086 606254703 /nfs/dbraw/zinc/25/47/03/606254703.db2.gz SOYVRPCZLZHXCA-RDTXWAMCSA-N -1 3 364.453 3.127 20 0 FGADHM Cc1ccc([C@H]2[C@H](C)CCCN2C(=O)c2cc(-c3nn[n-]n3)cn2C)cc1 ZINC000822232086 606254704 /nfs/dbraw/zinc/25/47/04/606254704.db2.gz SOYVRPCZLZHXCA-RDTXWAMCSA-N -1 3 364.453 3.127 20 0 FGADHM CN(C(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1)C1CC1 ZINC000821574785 606255002 /nfs/dbraw/zinc/25/50/02/606255002.db2.gz WXWYIAZTNAKGJW-UHFFFAOYSA-N -1 3 351.435 3.252 20 0 FGADHM CN(C(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1)C1CC1 ZINC000821574785 606255004 /nfs/dbraw/zinc/25/50/04/606255004.db2.gz WXWYIAZTNAKGJW-UHFFFAOYSA-N -1 3 351.435 3.252 20 0 FGADHM CC(C)(C)C[C@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1ccc(F)cc1 ZINC000819908128 606257548 /nfs/dbraw/zinc/25/75/48/606257548.db2.gz WQWYTUWFONTJMW-HNNXBMFYSA-N -1 3 356.405 3.241 20 0 FGADHM CC(C)(C)C[C@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1ccc(F)cc1 ZINC000819908128 606257549 /nfs/dbraw/zinc/25/75/49/606257549.db2.gz WQWYTUWFONTJMW-HNNXBMFYSA-N -1 3 356.405 3.241 20 0 FGADHM O=C(NCC1(c2cccc(Cl)c2)CCCC1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823170727 606262748 /nfs/dbraw/zinc/26/27/48/606262748.db2.gz HHXVZHKEJYZVHV-UHFFFAOYSA-N -1 3 370.844 3.090 20 0 FGADHM O=C(NCC1(c2cccc(Cl)c2)CCCC1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823170727 606262750 /nfs/dbraw/zinc/26/27/50/606262750.db2.gz HHXVZHKEJYZVHV-UHFFFAOYSA-N -1 3 370.844 3.090 20 0 FGADHM C[C@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1ccc(Oc2ccccc2)cc1 ZINC000820385101 606265981 /nfs/dbraw/zinc/26/59/81/606265981.db2.gz PDBQHNGHHJGCIL-ZDUSSCGKSA-N -1 3 374.404 3.478 20 0 FGADHM C[C@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1ccc(Oc2ccccc2)cc1 ZINC000820385101 606265982 /nfs/dbraw/zinc/26/59/82/606265982.db2.gz PDBQHNGHHJGCIL-ZDUSSCGKSA-N -1 3 374.404 3.478 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)c1ccc(OC2CCC2)cc1 ZINC000823346827 606266305 /nfs/dbraw/zinc/26/63/05/606266305.db2.gz RHPZSGDYPHWARB-UHFFFAOYSA-N -1 3 353.357 3.189 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)c1ccc(OC2CCC2)cc1 ZINC000823346827 606266307 /nfs/dbraw/zinc/26/63/07/606266307.db2.gz RHPZSGDYPHWARB-UHFFFAOYSA-N -1 3 353.357 3.189 20 0 FGADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CC=C(c2cccc3ccccc32)CC1 ZINC000823460483 606266410 /nfs/dbraw/zinc/26/64/10/606266410.db2.gz NXTFAARUQSRQIF-UHFFFAOYSA-N -1 3 370.416 3.278 20 0 FGADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CC=C(c2cccc3ccccc32)CC1 ZINC000823460483 606266413 /nfs/dbraw/zinc/26/64/13/606266413.db2.gz NXTFAARUQSRQIF-UHFFFAOYSA-N -1 3 370.416 3.278 20 0 FGADHM O=C(Cc1ccc(Cl)cc1Cl)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000823082255 606267468 /nfs/dbraw/zinc/26/74/68/606267468.db2.gz FLDAMRXJTRXYFQ-UHFFFAOYSA-N -1 3 366.183 3.494 20 0 FGADHM O=C(Cc1ccc(Cl)cc1Cl)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000823082255 606267470 /nfs/dbraw/zinc/26/74/70/606267470.db2.gz FLDAMRXJTRXYFQ-UHFFFAOYSA-N -1 3 366.183 3.494 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)c1ccc(OCC2CC2)cc1 ZINC000823346333 606269309 /nfs/dbraw/zinc/26/93/09/606269309.db2.gz LRVJSEISDCJANM-UHFFFAOYSA-N -1 3 353.357 3.047 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)c1ccc(OCC2CC2)cc1 ZINC000823346333 606269310 /nfs/dbraw/zinc/26/93/10/606269310.db2.gz LRVJSEISDCJANM-UHFFFAOYSA-N -1 3 353.357 3.047 20 0 FGADHM O=C(C[C@H]1CCc2ccccc2C1)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000822945427 606270477 /nfs/dbraw/zinc/27/04/77/606270477.db2.gz DWZWONNCVALCLI-LBPRGKRZSA-N -1 3 351.385 3.140 20 0 FGADHM O=C(C[C@H]1CCc2ccccc2C1)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000822945427 606270478 /nfs/dbraw/zinc/27/04/78/606270478.db2.gz DWZWONNCVALCLI-LBPRGKRZSA-N -1 3 351.385 3.140 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H](C)c1cccs1 ZINC000821118131 606281415 /nfs/dbraw/zinc/28/14/15/606281415.db2.gz HZVZPDPDWLCOTI-NSHDSACASA-N -1 3 356.455 3.492 20 0 FGADHM COC(=O)[C@@H](NCCCC1CCCCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000821643295 606300003 /nfs/dbraw/zinc/30/00/03/606300003.db2.gz ZLUCAVIDAWGHGH-KRWDZBQOSA-N -1 3 357.458 3.031 20 0 FGADHM COC(=O)[C@@H](NCCCC1CCCCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000821643295 606300005 /nfs/dbraw/zinc/30/00/05/606300005.db2.gz ZLUCAVIDAWGHGH-KRWDZBQOSA-N -1 3 357.458 3.031 20 0 FGADHM COC(=O)[C@@H](N[C@@H](C)c1cccc(C)c1C)c1cccc(-c2nnn[n-]2)c1 ZINC000821640878 606306603 /nfs/dbraw/zinc/30/66/03/606306603.db2.gz QUGTZACVYZJYMA-KSSFIOAISA-N -1 3 365.437 3.048 20 0 FGADHM COC(=O)[C@@H](N[C@@H](C)c1cccc(C)c1C)c1cccc(-c2nn[n-]n2)c1 ZINC000821640878 606306605 /nfs/dbraw/zinc/30/66/05/606306605.db2.gz QUGTZACVYZJYMA-KSSFIOAISA-N -1 3 365.437 3.048 20 0 FGADHM C[C@H](OC(=O)C1(c2ccc(F)cc2)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820488884 606338868 /nfs/dbraw/zinc/33/88/68/606338868.db2.gz WDZYPHKIFSGRSP-LBPRGKRZSA-N -1 3 352.369 3.342 20 0 FGADHM C[C@H](OC(=O)C1(c2ccc(F)cc2)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820488884 606338870 /nfs/dbraw/zinc/33/88/70/606338870.db2.gz WDZYPHKIFSGRSP-LBPRGKRZSA-N -1 3 352.369 3.342 20 0 FGADHM C[C@H](Cc1cccc(F)c1)C(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820299168 606343769 /nfs/dbraw/zinc/34/37/69/606343769.db2.gz CVBYAYJZHQOPID-CHWSQXEVSA-N -1 3 354.385 3.489 20 0 FGADHM C[C@H](Cc1cccc(F)c1)C(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820299168 606343771 /nfs/dbraw/zinc/34/37/71/606343771.db2.gz CVBYAYJZHQOPID-CHWSQXEVSA-N -1 3 354.385 3.489 20 0 FGADHM C[C@H]1C[C@@H]1c1ccc(CNC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)o1 ZINC000820678669 606347402 /nfs/dbraw/zinc/34/74/02/606347402.db2.gz XALSXTBMXXWIKJ-CABZTGNLSA-N -1 3 356.361 3.044 20 0 FGADHM C[C@H]1C[C@@H]1c1ccc(CNC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)o1 ZINC000820678669 606347404 /nfs/dbraw/zinc/34/74/04/606347404.db2.gz XALSXTBMXXWIKJ-CABZTGNLSA-N -1 3 356.361 3.044 20 0 FGADHM Cc1ccc2c(c1)CC[C@H]2NC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000822275862 606349364 /nfs/dbraw/zinc/34/93/64/606349364.db2.gz YMQNMWRJPRYVHB-OAHLLOKOSA-N -1 3 352.373 3.123 20 0 FGADHM Cc1ccc2c(c1)CC[C@H]2NC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000822275862 606349366 /nfs/dbraw/zinc/34/93/66/606349366.db2.gz YMQNMWRJPRYVHB-OAHLLOKOSA-N -1 3 352.373 3.123 20 0 FGADHM Cc1ccc(C[C@@H](C)NC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)s1 ZINC000822235266 606351268 /nfs/dbraw/zinc/35/12/68/606351268.db2.gz ZFFHQBBCOIOWKW-SECBINFHSA-N -1 3 360.418 3.128 20 0 FGADHM Cc1ccc(C[C@@H](C)NC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)s1 ZINC000822235266 606351270 /nfs/dbraw/zinc/35/12/70/606351270.db2.gz ZFFHQBBCOIOWKW-SECBINFHSA-N -1 3 360.418 3.128 20 0 FGADHM CC[C@H](Cc1ccccc1)N(C)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820913962 606352628 /nfs/dbraw/zinc/35/26/28/606352628.db2.gz LUJWWHYYKVKLAV-OAHLLOKOSA-N -1 3 368.416 3.491 20 0 FGADHM CC[C@H](Cc1ccccc1)N(C)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820913962 606352629 /nfs/dbraw/zinc/35/26/29/606352629.db2.gz LUJWWHYYKVKLAV-OAHLLOKOSA-N -1 3 368.416 3.491 20 0 FGADHM C[C@@H](CNC(=O)Nc1ccc(F)cc1-c1nnn[n-]1)Sc1ccccc1 ZINC000820269934 606355544 /nfs/dbraw/zinc/35/55/44/606355544.db2.gz PWBYKKPKRINREZ-NSHDSACASA-N -1 3 372.429 3.308 20 0 FGADHM C[C@@H](CNC(=O)Nc1ccc(F)cc1-c1nn[n-]n1)Sc1ccccc1 ZINC000820269934 606355545 /nfs/dbraw/zinc/35/55/45/606355545.db2.gz PWBYKKPKRINREZ-NSHDSACASA-N -1 3 372.429 3.308 20 0 FGADHM Cc1ccc(CN(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)C2CC2)o1 ZINC000822236145 606357591 /nfs/dbraw/zinc/35/75/91/606357591.db2.gz LORDDAFSOCBDMW-UHFFFAOYSA-N -1 3 356.361 3.104 20 0 FGADHM Cc1ccc(CN(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C2CC2)o1 ZINC000822236145 606357594 /nfs/dbraw/zinc/35/75/94/606357594.db2.gz LORDDAFSOCBDMW-UHFFFAOYSA-N -1 3 356.361 3.104 20 0 FGADHM C[C@@H](OC(=O)c1cccc(Cn2ccnc2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820512093 606358248 /nfs/dbraw/zinc/35/82/48/606358248.db2.gz GSFNUXCPJCKJAX-CQSZACIVSA-N -1 3 374.404 3.030 20 0 FGADHM C[C@H](Cc1ccccc1F)C(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820299216 606358570 /nfs/dbraw/zinc/35/85/70/606358570.db2.gz DZIQKFRMRDXWEJ-OLZOCXBDSA-N -1 3 354.385 3.489 20 0 FGADHM C[C@H](Cc1ccccc1F)C(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820299216 606358571 /nfs/dbraw/zinc/35/85/71/606358571.db2.gz DZIQKFRMRDXWEJ-OLZOCXBDSA-N -1 3 354.385 3.489 20 0 FGADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)c1ccc(Oc2ccccc2)o1 ZINC000823257666 606361750 /nfs/dbraw/zinc/36/17/50/606361750.db2.gz RTPJMELBIXSWFX-UHFFFAOYSA-N -1 3 361.361 3.182 20 0 FGADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)c1ccc(Oc2ccccc2)o1 ZINC000823257666 606361752 /nfs/dbraw/zinc/36/17/52/606361752.db2.gz RTPJMELBIXSWFX-UHFFFAOYSA-N -1 3 361.361 3.182 20 0 FGADHM CCS[C@@H]1CCC[C@H](NC(=O)Nc2cc(-c3nnn[n-]3)ccc2C)C1 ZINC000821455840 606382710 /nfs/dbraw/zinc/38/27/10/606382710.db2.gz MANFIDBDOUMBGA-UONOGXRCSA-N -1 3 360.487 3.361 20 0 FGADHM CCS[C@@H]1CCC[C@H](NC(=O)Nc2cc(-c3nn[n-]n3)ccc2C)C1 ZINC000821455840 606382713 /nfs/dbraw/zinc/38/27/13/606382713.db2.gz MANFIDBDOUMBGA-UONOGXRCSA-N -1 3 360.487 3.361 20 0 FGADHM Cc1ccc(C(=O)CCC(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822225116 606398468 /nfs/dbraw/zinc/39/84/68/606398468.db2.gz PAUUHOOGSBVFMV-AWEZNQCLSA-N -1 3 364.405 3.442 20 0 FGADHM Cc1ccc(C(=O)CCC(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822225116 606398470 /nfs/dbraw/zinc/39/84/70/606398470.db2.gz PAUUHOOGSBVFMV-AWEZNQCLSA-N -1 3 364.405 3.442 20 0 FGADHM C[C@@H](OC(=O)c1cc(-c2nnn[n-]2)cn1C)c1ccc(Cl)cc1Cl ZINC000820508496 606407099 /nfs/dbraw/zinc/40/70/99/606407099.db2.gz QHDDLIOCFBYEPR-MRVPVSSYSA-N -1 3 366.208 3.430 20 0 FGADHM C[C@@H](OC(=O)c1cc(-c2nn[n-]n2)cn1C)c1ccc(Cl)cc1Cl ZINC000820508496 606407101 /nfs/dbraw/zinc/40/71/01/606407101.db2.gz QHDDLIOCFBYEPR-MRVPVSSYSA-N -1 3 366.208 3.430 20 0 FGADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccc(-n2cncn2)cc1 ZINC000820456098 606440940 /nfs/dbraw/zinc/44/09/40/606440940.db2.gz PWMJEBTVTOTEOP-LLVKDONJSA-N -1 3 366.816 3.274 20 0 FGADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc(-n2cncn2)cc1 ZINC000820456098 606440941 /nfs/dbraw/zinc/44/09/41/606440941.db2.gz PWMJEBTVTOTEOP-LLVKDONJSA-N -1 3 366.816 3.274 20 0 FGADHM Fc1ccc(-c2nnn[n-]2)cc1CNc1cc2c(cc1Cl)OCCO2 ZINC000822761931 606442167 /nfs/dbraw/zinc/44/21/67/606442167.db2.gz WIGNZVCNKRZCQT-UHFFFAOYSA-N -1 3 361.764 3.043 20 0 FGADHM Fc1ccc(-c2nn[n-]n2)cc1CNc1cc2c(cc1Cl)OCCO2 ZINC000822761931 606442168 /nfs/dbraw/zinc/44/21/68/606442168.db2.gz WIGNZVCNKRZCQT-UHFFFAOYSA-N -1 3 361.764 3.043 20 0 FGADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCC1(C)CCC1 ZINC000820087611 606442302 /nfs/dbraw/zinc/44/23/02/606442302.db2.gz TVHLWZZWKQIFTG-UHFFFAOYSA-N -1 3 356.474 3.225 20 0 FGADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCC1(C)CCC1 ZINC000820087611 606442305 /nfs/dbraw/zinc/44/23/05/606442305.db2.gz TVHLWZZWKQIFTG-UHFFFAOYSA-N -1 3 356.474 3.225 20 0 FGADHM O=C(c1sccc1-c1nnn[n-]1)N1CCC(c2cccc(F)c2)CC1 ZINC000823498187 606448876 /nfs/dbraw/zinc/44/88/76/606448876.db2.gz GJZNSAONIRMMFB-UHFFFAOYSA-N -1 3 357.414 3.087 20 0 FGADHM O=C(c1sccc1-c1nn[n-]n1)N1CCC(c2cccc(F)c2)CC1 ZINC000823498187 606448878 /nfs/dbraw/zinc/44/88/78/606448878.db2.gz GJZNSAONIRMMFB-UHFFFAOYSA-N -1 3 357.414 3.087 20 0 FGADHM Cc1cccc(C)c1NC(=O)CN(C)c1c(Cl)cccc1-c1nnn[n-]1 ZINC000822293693 606448976 /nfs/dbraw/zinc/44/89/76/606448976.db2.gz IIKXQJCHZHIXRG-UHFFFAOYSA-N -1 3 370.844 3.212 20 0 FGADHM Cc1cccc(C)c1NC(=O)CN(C)c1c(Cl)cccc1-c1nn[n-]n1 ZINC000822293693 606448977 /nfs/dbraw/zinc/44/89/77/606448977.db2.gz IIKXQJCHZHIXRG-UHFFFAOYSA-N -1 3 370.844 3.212 20 0 FGADHM Cc1cc(C(=O)N2CCCC2)ccc1NCc1cccc(-c2nnn[n-]2)c1 ZINC000822168789 606454556 /nfs/dbraw/zinc/45/45/56/606454556.db2.gz SHIAIJOTWTYVMO-UHFFFAOYSA-N -1 3 362.437 3.023 20 0 FGADHM Cc1cc(C(=O)N2CCCC2)ccc1NCc1cccc(-c2nn[n-]n2)c1 ZINC000822168789 606454558 /nfs/dbraw/zinc/45/45/58/606454558.db2.gz SHIAIJOTWTYVMO-UHFFFAOYSA-N -1 3 362.437 3.023 20 0 FGADHM Fc1ccc(-c2nnn[n-]2)cc1CNc1c(F)cccc1N1CCCC1 ZINC000822761191 606459493 /nfs/dbraw/zinc/45/94/93/606459493.db2.gz BKJAMOKJXDPNMT-UHFFFAOYSA-N -1 3 356.380 3.357 20 0 FGADHM Fc1ccc(-c2nn[n-]n2)cc1CNc1c(F)cccc1N1CCCC1 ZINC000822761191 606459495 /nfs/dbraw/zinc/45/94/95/606459495.db2.gz BKJAMOKJXDPNMT-UHFFFAOYSA-N -1 3 356.380 3.357 20 0 FGADHM CCc1ccc(CC)c(NC(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)c1 ZINC000821482828 606459964 /nfs/dbraw/zinc/45/99/64/606459964.db2.gz VNWOUYWIRHDONQ-ZDUSSCGKSA-N -1 3 365.437 3.398 20 0 FGADHM CCc1ccc(CC)c(NC(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)c1 ZINC000821482828 606459966 /nfs/dbraw/zinc/45/99/66/606459966.db2.gz VNWOUYWIRHDONQ-ZDUSSCGKSA-N -1 3 365.437 3.398 20 0 FGADHM c1ccc2c(c1)CCS[C@H]2CNc1nc2c(cc1-c1nnn[n-]1)CCC2 ZINC000823796966 606478639 /nfs/dbraw/zinc/47/86/39/606478639.db2.gz JDGNMEKFUUWYBD-KRWDZBQOSA-N -1 3 364.478 3.193 20 0 FGADHM c1ccc2c(c1)CCS[C@H]2CNc1nc2c(cc1-c1nn[n-]n1)CCC2 ZINC000823796966 606478641 /nfs/dbraw/zinc/47/86/41/606478641.db2.gz JDGNMEKFUUWYBD-KRWDZBQOSA-N -1 3 364.478 3.193 20 0 FGADHM CCc1ccc2nc(NC(=O)c3cc(-c4nnn[n-]4)cs3)sc2c1 ZINC000821487576 606479689 /nfs/dbraw/zinc/47/96/89/606479689.db2.gz WWTYNSXSAVHQDR-UHFFFAOYSA-N -1 3 356.436 3.353 20 0 FGADHM CCc1ccc2nc(NC(=O)c3cc(-c4nn[n-]n4)cs3)sc2c1 ZINC000821487576 606479691 /nfs/dbraw/zinc/47/96/91/606479691.db2.gz WWTYNSXSAVHQDR-UHFFFAOYSA-N -1 3 356.436 3.353 20 0 FGADHM CC(C)(C)c1ccc(CCNC(=O)c2cc(-c3nnn[n-]3)cs2)cc1 ZINC000819958017 606493114 /nfs/dbraw/zinc/49/31/14/606493114.db2.gz GRKVWYQIHVHIBK-UHFFFAOYSA-N -1 3 355.467 3.198 20 0 FGADHM CC(C)(C)c1ccc(CCNC(=O)c2cc(-c3nn[n-]n3)cs2)cc1 ZINC000819958017 606493116 /nfs/dbraw/zinc/49/31/16/606493116.db2.gz GRKVWYQIHVHIBK-UHFFFAOYSA-N -1 3 355.467 3.198 20 0 FGADHM Cc1ccc(Br)cc1NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000822225202 606495027 /nfs/dbraw/zinc/49/50/27/606495027.db2.gz RYHNEEOCAYPMOI-UHFFFAOYSA-N -1 3 364.228 3.251 20 0 FGADHM Cc1ccc(Br)cc1NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000822225202 606495028 /nfs/dbraw/zinc/49/50/28/606495028.db2.gz RYHNEEOCAYPMOI-UHFFFAOYSA-N -1 3 364.228 3.251 20 0 FGADHM O=C(c1cc(-c2nnn[n-]2)cs1)N(C1CC1)[C@H]1CCc2ccccc21 ZINC000823465836 606496851 /nfs/dbraw/zinc/49/68/51/606496851.db2.gz AUCPIBFNTQOBEN-HNNXBMFYSA-N -1 3 351.435 3.220 20 0 FGADHM O=C(c1cc(-c2nn[n-]n2)cs1)N(C1CC1)[C@H]1CCc2ccccc21 ZINC000823465836 606496852 /nfs/dbraw/zinc/49/68/52/606496852.db2.gz AUCPIBFNTQOBEN-HNNXBMFYSA-N -1 3 351.435 3.220 20 0 FGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N(Cc1ccccc1)CC(F)F ZINC000823360344 606511025 /nfs/dbraw/zinc/51/10/25/606511025.db2.gz ZNWMFDYOIMHLHL-UHFFFAOYSA-N -1 3 358.352 3.166 20 0 FGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N(Cc1ccccc1)CC(F)F ZINC000823360344 606511026 /nfs/dbraw/zinc/51/10/26/606511026.db2.gz ZNWMFDYOIMHLHL-UHFFFAOYSA-N -1 3 358.352 3.166 20 0 FGADHM C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)cs1)c1ccc(F)cc1Cl ZINC000820390308 606514083 /nfs/dbraw/zinc/51/40/83/606514083.db2.gz GWDWKWJJBMXVIG-SSDOTTSWSA-N -1 3 351.794 3.212 20 0 FGADHM C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)cs1)c1ccc(F)cc1Cl ZINC000820390308 606514084 /nfs/dbraw/zinc/51/40/84/606514084.db2.gz GWDWKWJJBMXVIG-SSDOTTSWSA-N -1 3 351.794 3.212 20 0 FGADHM C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820669155 606517088 /nfs/dbraw/zinc/51/70/88/606517088.db2.gz ZDWWENATYBPRAR-JMSVASOKSA-N -1 3 353.451 3.335 20 0 FGADHM C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820669155 606517089 /nfs/dbraw/zinc/51/70/89/606517089.db2.gz ZDWWENATYBPRAR-JMSVASOKSA-N -1 3 353.451 3.335 20 0 FGADHM C[C@]1(c2ccccc2)CCCN(C(=O)c2cc(-c3nnn[n-]3)cs2)C1 ZINC000820636257 606541251 /nfs/dbraw/zinc/54/12/51/606541251.db2.gz QYYSYAKYHNJKGB-SFHVURJKSA-N -1 3 353.451 3.122 20 0 FGADHM C[C@]1(c2ccccc2)CCCN(C(=O)c2cc(-c3nn[n-]n3)cs2)C1 ZINC000820636257 606541253 /nfs/dbraw/zinc/54/12/53/606541253.db2.gz QYYSYAKYHNJKGB-SFHVURJKSA-N -1 3 353.451 3.122 20 0 FGADHM C[C@@H]1[C@H](C)Sc2ccccc2N1C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820819966 606544063 /nfs/dbraw/zinc/54/40/63/606544063.db2.gz LPDCPOXBFOZTNW-ZJUUUORDSA-N -1 3 357.464 3.458 20 0 FGADHM C[C@@H]1[C@H](C)Sc2ccccc2N1C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820819966 606544065 /nfs/dbraw/zinc/54/40/65/606544065.db2.gz LPDCPOXBFOZTNW-ZJUUUORDSA-N -1 3 357.464 3.458 20 0 FGADHM O=C(COc1ccccc1-c1nnn[n-]1)N(CC1CCC1)c1ccccc1 ZINC000823049911 606549911 /nfs/dbraw/zinc/54/99/11/606549911.db2.gz MENJNKHDTYXTHB-UHFFFAOYSA-N -1 3 363.421 3.079 20 0 FGADHM O=C(COc1ccccc1-c1nn[n-]n1)N(CC1CCC1)c1ccccc1 ZINC000823049911 606549913 /nfs/dbraw/zinc/54/99/13/606549913.db2.gz MENJNKHDTYXTHB-UHFFFAOYSA-N -1 3 363.421 3.079 20 0 FGADHM O=C(COc1ccc(-c2nn[n-]n2)cc1)N(CC1CCC1)c1ccccc1 ZINC000823032582 606551691 /nfs/dbraw/zinc/55/16/91/606551691.db2.gz ZZKGIFAZERRYSC-UHFFFAOYSA-N -1 3 363.421 3.079 20 0 FGADHM C[C@@H](N(C)C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)C1(C)CC1 ZINC000820308764 606552191 /nfs/dbraw/zinc/55/21/91/606552191.db2.gz XVBKZCPQENMHIO-CQSZACIVSA-N -1 3 357.458 3.063 20 0 FGADHM C[C@@H](N(C)C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)C1(C)CC1 ZINC000820308764 606552192 /nfs/dbraw/zinc/55/21/92/606552192.db2.gz XVBKZCPQENMHIO-CQSZACIVSA-N -1 3 357.458 3.063 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000823093619 606552662 /nfs/dbraw/zinc/55/26/62/606552662.db2.gz ZCKULBLTDZHQNT-LJQANCHMSA-N -1 3 365.412 3.206 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000823093619 606552663 /nfs/dbraw/zinc/55/26/63/606552663.db2.gz ZCKULBLTDZHQNT-LJQANCHMSA-N -1 3 365.412 3.206 20 0 FGADHM C[C@@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccc(F)cc1F ZINC000821994649 606552744 /nfs/dbraw/zinc/55/27/44/606552744.db2.gz CDRSEMRTNAXEBY-DHHDDZJSSA-N -1 3 355.348 3.036 20 0 FGADHM C[C@@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC000821994649 606552745 /nfs/dbraw/zinc/55/27/45/606552745.db2.gz CDRSEMRTNAXEBY-DHHDDZJSSA-N -1 3 355.348 3.036 20 0 FGADHM O=C(NC[C@H]1CCC[C@@H](C(F)(F)F)C1)c1cc(-c2nnn[n-]2)cs1 ZINC000823176382 606553345 /nfs/dbraw/zinc/55/33/45/606553345.db2.gz SJYSOTSNTVCGEX-WCBMZHEXSA-N -1 3 359.377 3.027 20 0 FGADHM O=C(NC[C@H]1CCC[C@@H](C(F)(F)F)C1)c1cc(-c2nn[n-]n2)cs1 ZINC000823176382 606553346 /nfs/dbraw/zinc/55/33/46/606553346.db2.gz SJYSOTSNTVCGEX-WCBMZHEXSA-N -1 3 359.377 3.027 20 0 FGADHM O=C(OCCOc1ccc2ccccc2c1)c1cc(-c2nnn[n-]2)cs1 ZINC000823410445 606564749 /nfs/dbraw/zinc/56/47/49/606564749.db2.gz WHJBWTZOAMRKOJ-UHFFFAOYSA-N -1 3 366.402 3.317 20 0 FGADHM O=C(OCCOc1ccc2ccccc2c1)c1cc(-c2nn[n-]n2)cs1 ZINC000823410445 606564751 /nfs/dbraw/zinc/56/47/51/606564751.db2.gz WHJBWTZOAMRKOJ-UHFFFAOYSA-N -1 3 366.402 3.317 20 0 FGADHM O=C(OCc1coc(-c2cccc(F)c2)n1)c1cc(-c2nnn[n-]2)cs1 ZINC000823440472 606566379 /nfs/dbraw/zinc/56/63/79/606566379.db2.gz VEFVQUTZDKYEDB-UHFFFAOYSA-N -1 3 371.353 3.079 20 0 FGADHM O=C(OCc1coc(-c2cccc(F)c2)n1)c1cc(-c2nn[n-]n2)cs1 ZINC000823440472 606566382 /nfs/dbraw/zinc/56/63/82/606566382.db2.gz VEFVQUTZDKYEDB-UHFFFAOYSA-N -1 3 371.353 3.079 20 0 FGADHM C[C@@H](NC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1Cl ZINC000820334516 606566422 /nfs/dbraw/zinc/56/64/22/606566422.db2.gz MSACFCDXINTCRG-SNVBAGLBSA-N -1 3 359.792 3.079 20 0 FGADHM C[C@@H](NC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1Cl ZINC000820334516 606566425 /nfs/dbraw/zinc/56/64/25/606566425.db2.gz MSACFCDXINTCRG-SNVBAGLBSA-N -1 3 359.792 3.079 20 0 FGADHM CC[C@H](Oc1cccc(C)c1)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820938266 606578963 /nfs/dbraw/zinc/57/89/63/606578963.db2.gz HTKNKQYOLYDGHX-KDOFPFPSSA-N -1 3 365.437 3.210 20 0 FGADHM CC[C@H](Oc1cccc(C)c1)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820938266 606578964 /nfs/dbraw/zinc/57/89/64/606578964.db2.gz HTKNKQYOLYDGHX-KDOFPFPSSA-N -1 3 365.437 3.210 20 0 FGADHM CN(C)C(=O)Sc1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000821577970 606589007 /nfs/dbraw/zinc/58/90/07/606589007.db2.gz GWXAAMZHWCRHNK-UHFFFAOYSA-N -1 3 355.423 3.219 20 0 FGADHM CN(C)C(=O)Sc1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000821577970 606589009 /nfs/dbraw/zinc/58/90/09/606589009.db2.gz GWXAAMZHWCRHNK-UHFFFAOYSA-N -1 3 355.423 3.219 20 0 FGADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(N2CCS[C@@H]3CCCC[C@@H]32)n1 ZINC000822723304 606594240 /nfs/dbraw/zinc/59/42/40/606594240.db2.gz CXQHHPFMFJSUKL-WDEREUQCSA-N -1 3 370.404 3.145 20 0 FGADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(N2CCS[C@@H]3CCCC[C@@H]32)n1 ZINC000822723304 606594241 /nfs/dbraw/zinc/59/42/41/606594241.db2.gz CXQHHPFMFJSUKL-WDEREUQCSA-N -1 3 370.404 3.145 20 0 FGADHM CC[C@@H](CC(=O)NC1CCN(c2ccccc2-c2nnn[n-]2)CC1)C(C)C ZINC000820881998 606594296 /nfs/dbraw/zinc/59/42/96/606594296.db2.gz HJCJDYVEWIKABS-HNNXBMFYSA-N -1 3 370.501 3.024 20 0 FGADHM CC[C@@H](CC(=O)NC1CCN(c2ccccc2-c2nn[n-]n2)CC1)C(C)C ZINC000820881998 606594299 /nfs/dbraw/zinc/59/42/99/606594299.db2.gz HJCJDYVEWIKABS-HNNXBMFYSA-N -1 3 370.501 3.024 20 0 FGADHM CCOc1ccccc1OCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000821436833 606594677 /nfs/dbraw/zinc/59/46/77/606594677.db2.gz GETBADKQOBFWEN-UHFFFAOYSA-N -1 3 362.336 3.446 20 0 FGADHM CCOc1ccccc1OCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000821436833 606594678 /nfs/dbraw/zinc/59/46/78/606594678.db2.gz GETBADKQOBFWEN-UHFFFAOYSA-N -1 3 362.336 3.446 20 0 FGADHM FC(F)Oc1cc(-c2nnn[n-]2)ccc1Cn1ccc(-c2cccs2)n1 ZINC000822733156 606595225 /nfs/dbraw/zinc/59/52/25/606595225.db2.gz REKGEFUCNFKLKE-UHFFFAOYSA-N -1 3 374.376 3.441 20 0 FGADHM FC(F)Oc1cc(-c2nn[n-]n2)ccc1Cn1ccc(-c2cccs2)n1 ZINC000822733156 606595226 /nfs/dbraw/zinc/59/52/26/606595226.db2.gz REKGEFUCNFKLKE-UHFFFAOYSA-N -1 3 374.376 3.441 20 0 FGADHM FC(F)Oc1cc(-c2nnn[n-]2)ccc1Cn1ccc(-c2ccsc2)n1 ZINC000822733243 606595341 /nfs/dbraw/zinc/59/53/41/606595341.db2.gz UZBLQEKXOGSLCD-UHFFFAOYSA-N -1 3 374.376 3.441 20 0 FGADHM FC(F)Oc1cc(-c2nn[n-]n2)ccc1Cn1ccc(-c2ccsc2)n1 ZINC000822733243 606595343 /nfs/dbraw/zinc/59/53/43/606595343.db2.gz UZBLQEKXOGSLCD-UHFFFAOYSA-N -1 3 374.376 3.441 20 0 FGADHM CC(C)C1(CNC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000820031883 606599310 /nfs/dbraw/zinc/59/93/10/606599310.db2.gz IZCKVVZCHSDSOP-UHFFFAOYSA-N -1 3 350.879 3.243 20 0 FGADHM CC(C)C1(CNC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000820031883 606599311 /nfs/dbraw/zinc/59/93/11/606599311.db2.gz IZCKVVZCHSDSOP-UHFFFAOYSA-N -1 3 350.879 3.243 20 0 FGADHM COc1cccc([C@H](C)CC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000821859154 606604032 /nfs/dbraw/zinc/60/40/32/606604032.db2.gz LUEQDSMYNRSOJP-LLVKDONJSA-N -1 3 355.373 3.147 20 0 FGADHM COc1cccc([C@H](C)CC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000821859154 606604033 /nfs/dbraw/zinc/60/40/33/606604033.db2.gz LUEQDSMYNRSOJP-LLVKDONJSA-N -1 3 355.373 3.147 20 0 FGADHM COc1cccc([C@H](C)CC(=O)OCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821859782 606612957 /nfs/dbraw/zinc/61/29/57/606612957.db2.gz SJNUOJXVCJGZBT-CYBMUJFWSA-N -1 3 352.394 3.112 20 0 FGADHM COc1cccc([C@H](C)CC(=O)OCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821859782 606612958 /nfs/dbraw/zinc/61/29/58/606612958.db2.gz SJNUOJXVCJGZBT-CYBMUJFWSA-N -1 3 352.394 3.112 20 0 FGADHM CC[C@H](C)NC(=O)[C@@H](C)Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000820876727 606614739 /nfs/dbraw/zinc/61/47/39/606614739.db2.gz SUDREFLMWOLILL-UONOGXRCSA-N -1 3 365.437 3.216 20 0 FGADHM CC[C@H](C)NC(=O)[C@@H](C)Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000820876727 606614741 /nfs/dbraw/zinc/61/47/41/606614741.db2.gz SUDREFLMWOLILL-UONOGXRCSA-N -1 3 365.437 3.216 20 0 FGADHM C[C@@H]1CCc2c(sc(NC(=O)C3CC(F)(F)C3)c2-c2nnn[n-]2)C1 ZINC000820728860 606620868 /nfs/dbraw/zinc/62/08/68/606620868.db2.gz ZQDQDDUPUBRJPO-SSDOTTSWSA-N -1 3 353.398 3.037 20 0 FGADHM C[C@@H]1CCc2c(sc(NC(=O)C3CC(F)(F)C3)c2-c2nn[n-]n2)C1 ZINC000820728860 606620870 /nfs/dbraw/zinc/62/08/70/606620870.db2.gz ZQDQDDUPUBRJPO-SSDOTTSWSA-N -1 3 353.398 3.037 20 0 FGADHM CCc1ccc(C(C)(C)C(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821475910 606626446 /nfs/dbraw/zinc/62/64/46/606626446.db2.gz CNOMVSMZBJBMPM-UHFFFAOYSA-N -1 3 363.465 3.365 20 0 FGADHM CCc1ccc(C(C)(C)C(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821475910 606626448 /nfs/dbraw/zinc/62/64/48/606626448.db2.gz CNOMVSMZBJBMPM-UHFFFAOYSA-N -1 3 363.465 3.365 20 0 FGADHM C[C@H](Sc1ccc(Cl)cc1-c1nnn[n-]1)C(=O)NC1CCCCC1 ZINC000820548557 606628238 /nfs/dbraw/zinc/62/82/38/606628238.db2.gz CBHZJSDGYDNWOH-JTQLQIEISA-N -1 3 365.890 3.450 20 0 FGADHM C[C@H](Sc1ccc(Cl)cc1-c1nn[n-]n1)C(=O)NC1CCCCC1 ZINC000820548557 606628240 /nfs/dbraw/zinc/62/82/40/606628240.db2.gz CBHZJSDGYDNWOH-JTQLQIEISA-N -1 3 365.890 3.450 20 0 FGADHM C[C@H]1CCCC[C@@H]1NC(=O)CSc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000820703350 606630461 /nfs/dbraw/zinc/63/04/61/606630461.db2.gz DXAURVPELIFKSI-GWCFXTLKSA-N -1 3 365.890 3.307 20 0 FGADHM C[C@H]1CCCC[C@@H]1NC(=O)CSc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000820703350 606630462 /nfs/dbraw/zinc/63/04/62/606630462.db2.gz DXAURVPELIFKSI-GWCFXTLKSA-N -1 3 365.890 3.307 20 0 FGADHM C[C@H](C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(Cl)s1 ZINC000819865466 606630780 /nfs/dbraw/zinc/63/07/80/606630780.db2.gz GDHFARRJWOVEBU-ZETCQYMHSA-N -1 3 351.794 3.463 20 0 FGADHM C[C@H](C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(Cl)s1 ZINC000819865466 606630782 /nfs/dbraw/zinc/63/07/82/606630782.db2.gz GDHFARRJWOVEBU-ZETCQYMHSA-N -1 3 351.794 3.463 20 0 FGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N1C[C@@H]2CCCC[C@H]2C1 ZINC000819975991 606631018 /nfs/dbraw/zinc/63/10/18/606631018.db2.gz GZKXRGCNTQYWLJ-STQMWFEESA-N -1 3 357.462 3.077 20 0 FGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N1C[C@@H]2CCCC[C@H]2C1 ZINC000819975991 606631020 /nfs/dbraw/zinc/63/10/20/606631020.db2.gz GZKXRGCNTQYWLJ-STQMWFEESA-N -1 3 357.462 3.077 20 0 FGADHM CC(=CC(=O)NCc1ccc(-c2nnn[n-]2)cc1F)c1cccc(Cl)c1 ZINC000819764182 606631333 /nfs/dbraw/zinc/63/13/33/606631333.db2.gz GVNOAVBNLWGQCC-YRNVUSSQSA-N -1 3 371.803 3.379 20 0 FGADHM CC(=CC(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1cccc(Cl)c1 ZINC000819764182 606631334 /nfs/dbraw/zinc/63/13/34/606631334.db2.gz GVNOAVBNLWGQCC-YRNVUSSQSA-N -1 3 371.803 3.379 20 0 FGADHM C[C@H](Nc1ccc(-c2nnn[n-]2)nc1)c1cccc(OC(F)(F)F)c1 ZINC000820456073 606634422 /nfs/dbraw/zinc/63/44/22/606634422.db2.gz PLIOFEVYGSOOBC-VIFPVBQESA-N -1 3 350.304 3.333 20 0 FGADHM C[C@H](Nc1ccc(-c2nn[n-]n2)nc1)c1cccc(OC(F)(F)F)c1 ZINC000820456073 606634423 /nfs/dbraw/zinc/63/44/23/606634423.db2.gz PLIOFEVYGSOOBC-VIFPVBQESA-N -1 3 350.304 3.333 20 0 FGADHM CCN(CC(=O)c1cc(C)n(C)c1C)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821169670 606646496 /nfs/dbraw/zinc/64/64/96/606646496.db2.gz AJNXFYSVKXRIQJ-AWEZNQCLSA-N -1 3 366.469 3.088 20 0 FGADHM CC(C)C[C@@H](C)OCCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000820054573 606664037 /nfs/dbraw/zinc/66/40/37/606664037.db2.gz BTJYXKQACCQHFK-LLVKDONJSA-N -1 3 363.487 3.197 20 0 FGADHM CC(C)C[C@@H](C)OCCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000820054573 606664038 /nfs/dbraw/zinc/66/40/38/606664038.db2.gz BTJYXKQACCQHFK-LLVKDONJSA-N -1 3 363.487 3.197 20 0 FGADHM C[C@H](CSc1ccc(F)cc1)C(=O)Nc1sccc1-c1nnn[n-]1 ZINC000820293190 606664156 /nfs/dbraw/zinc/66/41/56/606664156.db2.gz IJKDKISZHJIPCO-SECBINFHSA-N -1 3 363.443 3.434 20 0 FGADHM C[C@H](CSc1ccc(F)cc1)C(=O)Nc1sccc1-c1nn[n-]n1 ZINC000820293190 606664157 /nfs/dbraw/zinc/66/41/57/606664157.db2.gz IJKDKISZHJIPCO-SECBINFHSA-N -1 3 363.443 3.434 20 0 FGADHM O=C(Nc1cccc2c1CCCC2)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823368053 606664201 /nfs/dbraw/zinc/66/42/01/606664201.db2.gz SPGUUMGRSSGYPG-UHFFFAOYSA-N -1 3 355.348 3.276 20 0 FGADHM O=C(Nc1cccc2c1CCCC2)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823368053 606664202 /nfs/dbraw/zinc/66/42/02/606664202.db2.gz SPGUUMGRSSGYPG-UHFFFAOYSA-N -1 3 355.348 3.276 20 0 FGADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)[C@@H]1C[C@H]1Cc1ccccc1 ZINC000823333046 606665685 /nfs/dbraw/zinc/66/56/85/606665685.db2.gz XJKNRKLSKYHBJR-TZMCWYRMSA-N -1 3 353.813 3.337 20 0 FGADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)[C@@H]1C[C@H]1Cc1ccccc1 ZINC000823333046 606665686 /nfs/dbraw/zinc/66/56/86/606665686.db2.gz XJKNRKLSKYHBJR-TZMCWYRMSA-N -1 3 353.813 3.337 20 0 FGADHM CC(C)N(CC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1)c1ccccc1 ZINC000820111650 606668376 /nfs/dbraw/zinc/66/83/76/606668376.db2.gz FFWBTJCHHVJHLQ-UHFFFAOYSA-N -1 3 370.844 3.374 20 0 FGADHM CC(C)N(CC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1)c1ccccc1 ZINC000820111650 606668377 /nfs/dbraw/zinc/66/83/77/606668377.db2.gz FFWBTJCHHVJHLQ-UHFFFAOYSA-N -1 3 370.844 3.374 20 0 FGADHM O=C(N[C@H](c1ccccc1)C1CC1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823139471 606668782 /nfs/dbraw/zinc/66/87/82/606668782.db2.gz FPTIISTXMBWUIW-MRXNPFEDSA-N -1 3 355.348 3.026 20 0 FGADHM O=C(N[C@H](c1ccccc1)C1CC1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823139471 606668783 /nfs/dbraw/zinc/66/87/83/606668783.db2.gz FPTIISTXMBWUIW-MRXNPFEDSA-N -1 3 355.348 3.026 20 0 FGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)[C@H]1C[C@H]1Cc1ccccc1 ZINC000819972056 606673497 /nfs/dbraw/zinc/67/34/97/606673497.db2.gz ZAZBZDVOIYWYFP-ZBFHGGJFSA-N -1 3 364.453 3.241 20 0 FGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)[C@H]1C[C@H]1Cc1ccccc1 ZINC000819972056 606673498 /nfs/dbraw/zinc/67/34/98/606673498.db2.gz ZAZBZDVOIYWYFP-ZBFHGGJFSA-N -1 3 364.453 3.241 20 0 FGADHM CC(C)OCc1cccc(NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c1 ZINC000820145617 606673542 /nfs/dbraw/zinc/67/35/42/606673542.db2.gz CCBIMZOSNDPZBA-UHFFFAOYSA-N -1 3 373.363 3.322 20 0 FGADHM CC(C)OCc1cccc(NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c1 ZINC000820145617 606673543 /nfs/dbraw/zinc/67/35/43/606673543.db2.gz CCBIMZOSNDPZBA-UHFFFAOYSA-N -1 3 373.363 3.322 20 0 FGADHM O=C(C=C1CCC1)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822917258 606677191 /nfs/dbraw/zinc/67/71/91/606677191.db2.gz RFEANLSSVQVTFJ-UHFFFAOYSA-N -1 3 361.405 3.495 20 0 FGADHM O=C(C=C1CCC1)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822917258 606677192 /nfs/dbraw/zinc/67/71/92/606677192.db2.gz RFEANLSSVQVTFJ-UHFFFAOYSA-N -1 3 361.405 3.495 20 0 FGADHM Cc1ccc([C@@H](C)NC(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)cc1F ZINC000822229007 606680403 /nfs/dbraw/zinc/68/04/03/606680403.db2.gz KLGIKTVAKNAZIC-CYBMUJFWSA-N -1 3 368.416 3.217 20 0 FGADHM Cc1ccc([C@@H](C)NC(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000822229007 606680404 /nfs/dbraw/zinc/68/04/04/606680404.db2.gz KLGIKTVAKNAZIC-CYBMUJFWSA-N -1 3 368.416 3.217 20 0 FGADHM C[C@H]1CCN(C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)[C@@H](c2ccco2)C1 ZINC000820717370 606684385 /nfs/dbraw/zinc/68/43/85/606684385.db2.gz QGBKRVNBYJAYNF-IINYFYTJSA-N -1 3 373.363 3.351 20 0 FGADHM C[C@H]1CCN(C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)[C@@H](c2ccco2)C1 ZINC000820717370 606684386 /nfs/dbraw/zinc/68/43/86/606684386.db2.gz QGBKRVNBYJAYNF-IINYFYTJSA-N -1 3 373.363 3.351 20 0 FGADHM O=C(c1c(F)cc(-c2nnn[n-]2)cc1F)N(CC1CC1)c1ccccc1 ZINC000823453981 606686802 /nfs/dbraw/zinc/68/68/02/606686802.db2.gz HQZCHTFAUOOQFO-UHFFFAOYSA-N -1 3 355.348 3.202 20 0 FGADHM O=C(c1c(F)cc(-c2nn[n-]n2)cc1F)N(CC1CC1)c1ccccc1 ZINC000823453981 606686803 /nfs/dbraw/zinc/68/68/03/606686803.db2.gz HQZCHTFAUOOQFO-UHFFFAOYSA-N -1 3 355.348 3.202 20 0 FGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N1CC[C@@H](c2ccc(F)cc2)C1 ZINC000823359346 606696191 /nfs/dbraw/zinc/69/61/91/606696191.db2.gz MDFYCTXXLGQOIG-CQSZACIVSA-N -1 3 352.373 3.027 20 0 FGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N1CC[C@@H](c2ccc(F)cc2)C1 ZINC000823359346 606696192 /nfs/dbraw/zinc/69/61/92/606696192.db2.gz MDFYCTXXLGQOIG-CQSZACIVSA-N -1 3 352.373 3.027 20 0 FGADHM CCOC(=O)/C=C/CSc1nc(-c2ccccc2)ccc1-c1nnn[n-]1 ZINC000821325340 606706207 /nfs/dbraw/zinc/70/62/07/606706207.db2.gz DRTBCWWUZZPFFE-RMKNXTFCSA-N -1 3 367.434 3.140 20 0 FGADHM CCOC(=O)/C=C/CSc1nc(-c2ccccc2)ccc1-c1nn[n-]n1 ZINC000821325340 606706209 /nfs/dbraw/zinc/70/62/09/606706209.db2.gz DRTBCWWUZZPFFE-RMKNXTFCSA-N -1 3 367.434 3.140 20 0 FGADHM Cc1cc(C)cc(CSCC(=O)Nc2sccc2-c2nnn[n-]2)c1 ZINC000822196844 606706570 /nfs/dbraw/zinc/70/65/70/606706570.db2.gz YKAMLTJLNAPGSO-UHFFFAOYSA-N -1 3 359.480 3.417 20 0 FGADHM Cc1cc(C)cc(CSCC(=O)Nc2sccc2-c2nn[n-]n2)c1 ZINC000822196844 606706572 /nfs/dbraw/zinc/70/65/72/606706572.db2.gz YKAMLTJLNAPGSO-UHFFFAOYSA-N -1 3 359.480 3.417 20 0 FGADHM C[C@@H](Nc1c(Cl)cccc1-c1nnn[n-]1)c1cn(-c2ccccc2)nn1 ZINC000820451690 606728527 /nfs/dbraw/zinc/72/85/27/606728527.db2.gz WTSJIDLDTAJBGT-LLVKDONJSA-N -1 3 366.816 3.274 20 0 FGADHM C[C@@H](Nc1c(Cl)cccc1-c1nn[n-]n1)c1cn(-c2ccccc2)nn1 ZINC000820451690 606728528 /nfs/dbraw/zinc/72/85/28/606728528.db2.gz WTSJIDLDTAJBGT-LLVKDONJSA-N -1 3 366.816 3.274 20 0 FGADHM C[C@H](OC1CCCCCC1)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820519374 606733918 /nfs/dbraw/zinc/73/39/18/606733918.db2.gz SXGVNLAZGMLUPU-KBPBESRZSA-N -1 3 357.458 3.172 20 0 FGADHM C[C@H](OC1CCCCCC1)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820519374 606733916 /nfs/dbraw/zinc/73/39/16/606733916.db2.gz SXGVNLAZGMLUPU-KBPBESRZSA-N -1 3 357.458 3.172 20 0 FGADHM C[C@@H](COc1ccccc1)C(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820295118 606735367 /nfs/dbraw/zinc/73/53/67/606735367.db2.gz YPZAGLDWKIKPTJ-KBPBESRZSA-N -1 3 352.394 3.186 20 0 FGADHM C[C@@H](COc1ccccc1)C(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820295118 606735370 /nfs/dbraw/zinc/73/53/70/606735370.db2.gz YPZAGLDWKIKPTJ-KBPBESRZSA-N -1 3 352.394 3.186 20 0 FGADHM CC[C@H](OC1CCCCC1)C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820938468 606768171 /nfs/dbraw/zinc/76/81/71/606768171.db2.gz JOLVXZZAOIJASU-INIZCTEOSA-N -1 3 362.405 3.177 20 0 FGADHM CC[C@H](OC1CCCCC1)C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820938468 606768172 /nfs/dbraw/zinc/76/81/72/606768172.db2.gz JOLVXZZAOIJASU-INIZCTEOSA-N -1 3 362.405 3.177 20 0 FGADHM C[C@@](O)(c1ccc(OCc2ccc(-c3nnn[n-]3)cc2)cc1)C(F)(F)F ZINC000820468782 606773626 /nfs/dbraw/zinc/77/36/26/606773626.db2.gz WEWLFWWLRLJUOL-MRXNPFEDSA-N -1 3 364.327 3.216 20 0 FGADHM C[C@@](O)(c1ccc(OCc2ccc(-c3nn[n-]n3)cc2)cc1)C(F)(F)F ZINC000820468782 606773628 /nfs/dbraw/zinc/77/36/28/606773628.db2.gz WEWLFWWLRLJUOL-MRXNPFEDSA-N -1 3 364.327 3.216 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)N[C@@H](C)C2CC2)cc1 ZINC000822135904 606776161 /nfs/dbraw/zinc/77/61/61/606776161.db2.gz GNLXWRADZZAFKR-ZDUSSCGKSA-N -1 3 363.421 3.496 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)N[C@@H](C)C2CC2)cc1 ZINC000822135904 606776162 /nfs/dbraw/zinc/77/61/62/606776162.db2.gz GNLXWRADZZAFKR-ZDUSSCGKSA-N -1 3 363.421 3.496 20 0 FGADHM Cc1ccc(CC(=O)OCc2cc(-c3nnn[n-]3)ccc2F)c(Cl)c1 ZINC000822235225 606797948 /nfs/dbraw/zinc/79/79/48/606797948.db2.gz XTZUMZQQMSSWJA-UHFFFAOYSA-N -1 3 360.776 3.254 20 0 FGADHM Cc1ccc(CC(=O)OCc2cc(-c3nn[n-]n3)ccc2F)c(Cl)c1 ZINC000822235225 606797950 /nfs/dbraw/zinc/79/79/50/606797950.db2.gz XTZUMZQQMSSWJA-UHFFFAOYSA-N -1 3 360.776 3.254 20 0 FGADHM O=C(Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1)[C@H]1CCSC1 ZINC000823350600 606800163 /nfs/dbraw/zinc/80/01/63/606800163.db2.gz UAGPTEYUNYBZPP-ZDUSSCGKSA-N -1 3 367.434 3.351 20 0 FGADHM O=C(Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)[C@H]1CCSC1 ZINC000823350600 606800164 /nfs/dbraw/zinc/80/01/64/606800164.db2.gz UAGPTEYUNYBZPP-ZDUSSCGKSA-N -1 3 367.434 3.351 20 0 FGADHM C[C@@H](Sc1ccccn1)C(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820555326 606800804 /nfs/dbraw/zinc/80/08/04/606800804.db2.gz JFIDAZGBTOEPRQ-VXGBXAGGSA-N -1 3 355.423 3.047 20 0 FGADHM C[C@@H](Sc1ccccn1)C(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820555326 606800806 /nfs/dbraw/zinc/80/08/06/606800806.db2.gz JFIDAZGBTOEPRQ-VXGBXAGGSA-N -1 3 355.423 3.047 20 0 FGADHM O=C(Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)[C@H]1CCSC1 ZINC000823367963 606803706 /nfs/dbraw/zinc/80/37/06/606803706.db2.gz PFMGUMSZDQTSCN-ZDUSSCGKSA-N -1 3 367.434 3.351 20 0 FGADHM O=C(Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)[C@H]1CCSC1 ZINC000823367963 606803708 /nfs/dbraw/zinc/80/37/08/606803708.db2.gz PFMGUMSZDQTSCN-ZDUSSCGKSA-N -1 3 367.434 3.351 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H]1CCC[C@H]1CC ZINC000821104393 606811206 /nfs/dbraw/zinc/81/12/06/606811206.db2.gz BHGHBLXVMAQJMP-WBVHZDCISA-N -1 3 356.474 3.367 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H]1CCC[C@H]1CC ZINC000821104393 606811208 /nfs/dbraw/zinc/81/12/08/606811208.db2.gz BHGHBLXVMAQJMP-WBVHZDCISA-N -1 3 356.474 3.367 20 0 FGADHM O=C(c1cc(-c2nnn[n-]2)cs1)N1CCC(=Cc2ccccc2F)CC1 ZINC000823466744 606813337 /nfs/dbraw/zinc/81/33/37/606813337.db2.gz PAZNOLMBNJSQME-UHFFFAOYSA-N -1 3 369.425 3.387 20 0 FGADHM O=C(c1cc(-c2nn[n-]n2)cs1)N1CCC(=Cc2ccccc2F)CC1 ZINC000823466744 606813339 /nfs/dbraw/zinc/81/33/39/606813339.db2.gz PAZNOLMBNJSQME-UHFFFAOYSA-N -1 3 369.425 3.387 20 0 FGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N1CCc2c1cccc2Cl ZINC000823066109 606818131 /nfs/dbraw/zinc/81/81/31/606818131.db2.gz MDGOHGXKESWXBA-UHFFFAOYSA-N -1 3 371.853 3.202 20 0 FGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N1CCc2c1cccc2Cl ZINC000823066109 606818132 /nfs/dbraw/zinc/81/81/32/606818132.db2.gz MDGOHGXKESWXBA-UHFFFAOYSA-N -1 3 371.853 3.202 20 0 FGADHM CC[C@H]1CCC[C@H]1NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000820972019 606837306 /nfs/dbraw/zinc/83/73/06/606837306.db2.gz JLEGOSVXUPYCII-WMLDXEAASA-N -1 3 354.458 3.119 20 0 FGADHM CC[C@H]1CCC[C@H]1NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000820972019 606837308 /nfs/dbraw/zinc/83/73/08/606837308.db2.gz JLEGOSVXUPYCII-WMLDXEAASA-N -1 3 354.458 3.119 20 0 FGADHM Clc1cc(-c2nnn[n-]2)ccc1SCc1nc(-c2ccco2)no1 ZINC000822563773 606852089 /nfs/dbraw/zinc/85/20/89/606852089.db2.gz OGJMOPPDTIJAFJ-UHFFFAOYSA-N -1 3 360.786 3.455 20 0 FGADHM Clc1cc(-c2nn[n-]n2)ccc1SCc1nc(-c2ccco2)no1 ZINC000822563773 606852090 /nfs/dbraw/zinc/85/20/90/606852090.db2.gz OGJMOPPDTIJAFJ-UHFFFAOYSA-N -1 3 360.786 3.455 20 0 FGADHM CO[C@@H](CNC(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccccc1Cl ZINC000821677033 606870588 /nfs/dbraw/zinc/87/05/88/606870588.db2.gz MZHTWHDSQJFQCQ-HNNXBMFYSA-N -1 3 372.816 3.029 20 0 FGADHM CO[C@@H](CNC(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccccc1Cl ZINC000821677033 606870590 /nfs/dbraw/zinc/87/05/90/606870590.db2.gz MZHTWHDSQJFQCQ-HNNXBMFYSA-N -1 3 372.816 3.029 20 0 FGADHM C[C@H]1CC[C@@H](C(=O)Nc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)O1 ZINC000820676849 606871654 /nfs/dbraw/zinc/87/16/54/606871654.db2.gz ONDRKKPSKUNMCL-SJCJKPOMSA-N -1 3 365.393 3.165 20 0 FGADHM C[C@H]1CC[C@@H](C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)O1 ZINC000820676849 606871656 /nfs/dbraw/zinc/87/16/56/606871656.db2.gz ONDRKKPSKUNMCL-SJCJKPOMSA-N -1 3 365.393 3.165 20 0 FGADHM CN(CCC1CCOCC1)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000821599257 606875442 /nfs/dbraw/zinc/87/54/42/606875442.db2.gz MPCUFNLOOQWWFC-UHFFFAOYSA-N -1 3 355.364 3.138 20 0 FGADHM CN(CCC1CCOCC1)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821599257 606875444 /nfs/dbraw/zinc/87/54/44/606875444.db2.gz MPCUFNLOOQWWFC-UHFFFAOYSA-N -1 3 355.364 3.138 20 0 FGADHM O[C@H](CNc1cccc(F)c1-c1nnn[n-]1)c1cc2ccccc2s1 ZINC000823690171 606877878 /nfs/dbraw/zinc/87/78/78/606877878.db2.gz LWUXPEQTLKZBNX-CYBMUJFWSA-N -1 3 355.398 3.366 20 0 FGADHM O[C@H](CNc1cccc(F)c1-c1nn[n-]n1)c1cc2ccccc2s1 ZINC000823690171 606877880 /nfs/dbraw/zinc/87/78/80/606877880.db2.gz LWUXPEQTLKZBNX-CYBMUJFWSA-N -1 3 355.398 3.366 20 0 FGADHM Fc1ccc(CNc2cccc(OC[C@H]3CCCO3)c2)cc1-c1nnn[n-]1 ZINC000822771124 606928090 /nfs/dbraw/zinc/92/80/90/606928090.db2.gz CGADKCRGNCBIIA-MRXNPFEDSA-N -1 3 369.400 3.176 20 0 FGADHM Fc1ccc(CNc2cccc(OC[C@H]3CCCO3)c2)cc1-c1nn[n-]n1 ZINC000822771124 606928091 /nfs/dbraw/zinc/92/80/91/606928091.db2.gz CGADKCRGNCBIIA-MRXNPFEDSA-N -1 3 369.400 3.176 20 0 FGADHM Cc1ccnc(-c2cccc(NCc3ccc(F)c(-c4nnn[n-]4)c3)c2)n1 ZINC000822374210 606930158 /nfs/dbraw/zinc/93/01/58/606930158.db2.gz MAAARMXXRLNBND-UHFFFAOYSA-N -1 3 361.384 3.383 20 0 FGADHM Cc1ccnc(-c2cccc(NCc3ccc(F)c(-c4nn[n-]n4)c3)c2)n1 ZINC000822374210 606930160 /nfs/dbraw/zinc/93/01/60/606930160.db2.gz MAAARMXXRLNBND-UHFFFAOYSA-N -1 3 361.384 3.383 20 0 FGADHM Cn1ccnc1CNc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000822699382 606931869 /nfs/dbraw/zinc/93/18/69/606931869.db2.gz YVWXZWWCUFDFLZ-UHFFFAOYSA-N -1 3 365.372 3.144 20 0 FGADHM Cn1ccnc1CNc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000822699382 606931870 /nfs/dbraw/zinc/93/18/70/606931870.db2.gz YVWXZWWCUFDFLZ-UHFFFAOYSA-N -1 3 365.372 3.144 20 0 FGADHM O[C@@H](CNc1ccc(C(F)(F)F)cc1-c1nnn[n-]1)c1ccsc1 ZINC000823689505 606937604 /nfs/dbraw/zinc/93/76/04/606937604.db2.gz GOQAWZYXXYUCKA-LBPRGKRZSA-N -1 3 355.345 3.093 20 0 FGADHM O[C@@H](CNc1ccc(C(F)(F)F)cc1-c1nn[n-]n1)c1ccsc1 ZINC000823689505 606937606 /nfs/dbraw/zinc/93/76/06/606937606.db2.gz GOQAWZYXXYUCKA-LBPRGKRZSA-N -1 3 355.345 3.093 20 0 FGADHM CCc1nnc(N[C@H](C)c2ccc(OC)c(F)c2)c(-c2nnn[n-]2)c1CC ZINC000821527877 606941793 /nfs/dbraw/zinc/94/17/93/606941793.db2.gz HPPOWIYHTMBRNE-SNVBAGLBSA-N -1 3 371.420 3.102 20 0 FGADHM CCc1nnc(N[C@H](C)c2ccc(OC)c(F)c2)c(-c2nn[n-]n2)c1CC ZINC000821527877 606941795 /nfs/dbraw/zinc/94/17/95/606941795.db2.gz HPPOWIYHTMBRNE-SNVBAGLBSA-N -1 3 371.420 3.102 20 0 FGADHM FC(F)Oc1ccc2ncc(-c3nnn[n-]3)c(N3CCC4(CCC4)C3)c2c1 ZINC000822736208 606948113 /nfs/dbraw/zinc/94/81/13/606948113.db2.gz AGYCAAFDPZUBEZ-UHFFFAOYSA-N -1 3 372.379 3.397 20 0 FGADHM FC(F)Oc1ccc2ncc(-c3nn[n-]n3)c(N3CCC4(CCC4)C3)c2c1 ZINC000822736208 606948114 /nfs/dbraw/zinc/94/81/14/606948114.db2.gz AGYCAAFDPZUBEZ-UHFFFAOYSA-N -1 3 372.379 3.397 20 0 FGADHM O=C(OCCCOc1cccc(-c2nnn[n-]2)c1)c1ccc(C(F)F)cc1 ZINC000823405510 606948834 /nfs/dbraw/zinc/94/88/34/606948834.db2.gz SCFSSZKMMBXPPL-UHFFFAOYSA-N -1 3 374.347 3.430 20 0 FGADHM O=C(OCCCOc1cccc(-c2nn[n-]n2)c1)c1ccc(C(F)F)cc1 ZINC000823405510 606948835 /nfs/dbraw/zinc/94/88/35/606948835.db2.gz SCFSSZKMMBXPPL-UHFFFAOYSA-N -1 3 374.347 3.430 20 0 FGADHM COc1cc(F)c(NC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1F ZINC000821720219 606956335 /nfs/dbraw/zinc/95/63/35/606956335.db2.gz PJKMSSKWAONTAH-SECBINFHSA-N -1 3 374.351 3.036 20 0 FGADHM COc1cc(F)c(NC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1F ZINC000821720219 606956336 /nfs/dbraw/zinc/95/63/36/606956336.db2.gz PJKMSSKWAONTAH-SECBINFHSA-N -1 3 374.351 3.036 20 0 FGADHM Cc1ccc2oc(C(=O)N(C)c3cc(Cl)ccc3-c3nnn[n-]3)cc2n1 ZINC000822283866 606961233 /nfs/dbraw/zinc/96/12/33/606961233.db2.gz FSMLGEHGJQFUBE-UHFFFAOYSA-N -1 3 368.784 3.246 20 0 FGADHM Cc1ccc2oc(C(=O)N(C)c3cc(Cl)ccc3-c3nn[n-]n3)cc2n1 ZINC000822283866 606961234 /nfs/dbraw/zinc/96/12/34/606961234.db2.gz FSMLGEHGJQFUBE-UHFFFAOYSA-N -1 3 368.784 3.246 20 0 FGADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N[C@@H](c1ccc(F)cc1F)C(C)(C)C ZINC000822632057 606966392 /nfs/dbraw/zinc/96/63/92/606966392.db2.gz PJPHKUBLNYYMMI-HNNXBMFYSA-N -1 3 374.395 3.001 20 0 FGADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N[C@@H](c1ccc(F)cc1F)C(C)(C)C ZINC000822632057 606966393 /nfs/dbraw/zinc/96/63/93/606966393.db2.gz PJPHKUBLNYYMMI-HNNXBMFYSA-N -1 3 374.395 3.001 20 0 FGADHM Cc1nc(C2(NCc3ccc(F)c(-c4nnn[n-]4)c3)CCCCCC2)no1 ZINC000822431773 606966447 /nfs/dbraw/zinc/96/64/47/606966447.db2.gz IZCMREDOWCARCT-UHFFFAOYSA-N -1 3 371.420 3.037 20 0 FGADHM Cc1nc(C2(NCc3ccc(F)c(-c4nn[n-]n4)c3)CCCCCC2)no1 ZINC000822431773 606966448 /nfs/dbraw/zinc/96/64/48/606966448.db2.gz IZCMREDOWCARCT-UHFFFAOYSA-N -1 3 371.420 3.037 20 0 FGADHM Cc1ccc(NC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)cc1F ZINC000822242274 606979260 /nfs/dbraw/zinc/97/92/60/606979260.db2.gz GLNBDGOHEWCTTE-UHFFFAOYSA-N -1 3 355.373 3.110 20 0 FGADHM Cc1ccc(NC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000822242274 606979261 /nfs/dbraw/zinc/97/92/61/606979261.db2.gz GLNBDGOHEWCTTE-UHFFFAOYSA-N -1 3 355.373 3.110 20 0 FGADHM C[C@@H](c1cccc(Cl)c1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000820563479 606979558 /nfs/dbraw/zinc/97/95/58/606979558.db2.gz RBNIYAVOFWVHFB-VIFPVBQESA-N -1 3 366.805 3.194 20 0 FGADHM C[C@@H](c1cccc(Cl)c1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000820563479 606979560 /nfs/dbraw/zinc/97/95/60/606979560.db2.gz RBNIYAVOFWVHFB-VIFPVBQESA-N -1 3 366.805 3.194 20 0 FGADHM CCN(Cc1cccs1)C(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000821230755 606984088 /nfs/dbraw/zinc/98/40/88/606984088.db2.gz QBXZCYNWQYSDOR-UHFFFAOYSA-N -1 3 371.466 3.134 20 0 FGADHM CCN(Cc1cccs1)C(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000821230755 606984089 /nfs/dbraw/zinc/98/40/89/606984089.db2.gz QBXZCYNWQYSDOR-UHFFFAOYSA-N -1 3 371.466 3.134 20 0 FGADHM Cc1ccccc1SCC(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822366800 606989100 /nfs/dbraw/zinc/98/91/00/606989100.db2.gz TYUFFXXHBSRVFX-UHFFFAOYSA-N -1 3 358.398 3.150 20 0 FGADHM Cc1ccccc1SCC(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822366800 606989101 /nfs/dbraw/zinc/98/91/01/606989101.db2.gz TYUFFXXHBSRVFX-UHFFFAOYSA-N -1 3 358.398 3.150 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)C1(c2ccc(F)cc2)CCC1 ZINC000823422033 606992839 /nfs/dbraw/zinc/99/28/39/606992839.db2.gz NFASIUKFBQEWQQ-UHFFFAOYSA-N -1 3 370.359 3.310 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)C1(c2ccc(F)cc2)CCC1 ZINC000823422033 606992841 /nfs/dbraw/zinc/99/28/41/606992841.db2.gz NFASIUKFBQEWQQ-UHFFFAOYSA-N -1 3 370.359 3.310 20 0 FGADHM COc1ccccc1C(C)(C)C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000821882504 606996753 /nfs/dbraw/zinc/99/67/53/606996753.db2.gz CMFYWWVPVFGYFO-UHFFFAOYSA-N -1 3 370.384 3.035 20 0 FGADHM COc1ccccc1C(C)(C)C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821882504 606996755 /nfs/dbraw/zinc/99/67/55/606996755.db2.gz CMFYWWVPVFGYFO-UHFFFAOYSA-N -1 3 370.384 3.035 20 0 FGADHM Cc1ccc(CCCC(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)s1 ZINC000822236240 607003651 /nfs/dbraw/zinc/00/36/51/607003651.db2.gz QAECVUFYHHUBBW-UHFFFAOYSA-N -1 3 360.414 3.442 20 0 FGADHM Cc1ccc(CCCC(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)s1 ZINC000822236240 607003653 /nfs/dbraw/zinc/00/36/53/607003653.db2.gz QAECVUFYHHUBBW-UHFFFAOYSA-N -1 3 360.414 3.442 20 0 FGADHM O=C(NC1(c2cccc(Cl)c2)CCCC1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823140710 607009500 /nfs/dbraw/zinc/00/95/00/607009500.db2.gz YDCDVBNKHVEAFI-UHFFFAOYSA-N -1 3 356.817 3.048 20 0 FGADHM O=C(NC1(c2cccc(Cl)c2)CCCC1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823140710 607009501 /nfs/dbraw/zinc/00/95/01/607009501.db2.gz YDCDVBNKHVEAFI-UHFFFAOYSA-N -1 3 356.817 3.048 20 0 FGADHM COc1ccccc1OCCSCc1cc(F)ccc1-c1nnn[n-]1 ZINC000821903188 607033130 /nfs/dbraw/zinc/03/31/30/607033130.db2.gz CVDDLWBWGRAXLQ-UHFFFAOYSA-N -1 3 360.414 3.327 20 0 FGADHM COc1ccccc1OCCSCc1cc(F)ccc1-c1nn[n-]n1 ZINC000821903188 607033133 /nfs/dbraw/zinc/03/31/33/607033133.db2.gz CVDDLWBWGRAXLQ-UHFFFAOYSA-N -1 3 360.414 3.327 20 0 FGADHM CC(C)CCc1noc(CSCc2cc(F)ccc2-c2nnn[n-]2)n1 ZINC000820081831 607034026 /nfs/dbraw/zinc/03/40/26/607034026.db2.gz XOKVNXVJSDQAMQ-UHFFFAOYSA-N -1 3 362.434 3.411 20 0 FGADHM CC(C)CCc1noc(CSCc2cc(F)ccc2-c2nn[n-]n2)n1 ZINC000820081831 607034028 /nfs/dbraw/zinc/03/40/28/607034028.db2.gz XOKVNXVJSDQAMQ-UHFFFAOYSA-N -1 3 362.434 3.411 20 0 FGADHM Fc1ccc(-c2nnc(SCc3cc(F)ccc3-c3nnn[n-]3)o2)cc1 ZINC000822753114 607037837 /nfs/dbraw/zinc/03/78/37/607037837.db2.gz DYOCOUAHXMZESL-UHFFFAOYSA-N -1 3 372.360 3.487 20 0 FGADHM Fc1ccc(-c2nnc(SCc3cc(F)ccc3-c3nn[n-]n3)o2)cc1 ZINC000822753114 607037838 /nfs/dbraw/zinc/03/78/38/607037838.db2.gz DYOCOUAHXMZESL-UHFFFAOYSA-N -1 3 372.360 3.487 20 0 FGADHM COc1cccc(COc2ccc(Br)cc2-c2nnn[n-]2)c1 ZINC000821873819 607041813 /nfs/dbraw/zinc/04/18/13/607041813.db2.gz YPKKWIQTRLFKFZ-UHFFFAOYSA-N -1 3 361.199 3.217 20 0 FGADHM COc1cccc(COc2ccc(Br)cc2-c2nn[n-]n2)c1 ZINC000821873819 607041815 /nfs/dbraw/zinc/04/18/15/607041815.db2.gz YPKKWIQTRLFKFZ-UHFFFAOYSA-N -1 3 361.199 3.217 20 0 FGADHM Cc1nc2[nH]ccc2c(Oc2ccc(Br)cc2-c2nnn[n-]2)n1 ZINC000822454162 607046172 /nfs/dbraw/zinc/04/61/72/607046172.db2.gz UXEAPCFYICHEPY-UHFFFAOYSA-N -1 3 372.186 3.001 20 0 FGADHM Cc1nc2[nH]ccc2c(Oc2ccc(Br)cc2-c2nn[n-]n2)n1 ZINC000822454162 607046174 /nfs/dbraw/zinc/04/61/74/607046174.db2.gz UXEAPCFYICHEPY-UHFFFAOYSA-N -1 3 372.186 3.001 20 0 FGADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCCCC2)c1cncc(F)c1 ZINC000823387148 607064449 /nfs/dbraw/zinc/06/44/49/607064449.db2.gz DHJVFLOBDKTCLG-UHFFFAOYSA-N -1 3 372.429 3.374 20 0 FGADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCCCC2)c1cncc(F)c1 ZINC000823387148 607064451 /nfs/dbraw/zinc/06/44/51/607064451.db2.gz DHJVFLOBDKTCLG-UHFFFAOYSA-N -1 3 372.429 3.374 20 0 FGADHM O=C(CCCOc1ccccc1F)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000822959297 607081652 /nfs/dbraw/zinc/08/16/52/607081652.db2.gz XHDQPYGANRCIAH-UHFFFAOYSA-N -1 3 374.347 3.047 20 0 FGADHM O=C(CCCOc1ccccc1F)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000822959297 607081653 /nfs/dbraw/zinc/08/16/53/607081653.db2.gz XHDQPYGANRCIAH-UHFFFAOYSA-N -1 3 374.347 3.047 20 0 FGADHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)[C@H]1C[C@H]1c1cccc(F)c1F ZINC000823413211 607084246 /nfs/dbraw/zinc/08/42/46/607084246.db2.gz CLOHBOOTVSKEHV-KBPBESRZSA-N -1 3 374.322 3.131 20 0 FGADHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)[C@H]1C[C@H]1c1cccc(F)c1F ZINC000823413211 607084247 /nfs/dbraw/zinc/08/42/47/607084247.db2.gz CLOHBOOTVSKEHV-KBPBESRZSA-N -1 3 374.322 3.131 20 0 FGADHM CC[C@@H](Cc1ccccc1)N(CC)C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820913698 607087557 /nfs/dbraw/zinc/08/75/57/607087557.db2.gz JMPDOUQAPOQDTO-HNNXBMFYSA-N -1 3 355.467 3.412 20 0 FGADHM CC[C@@H](Cc1ccccc1)N(CC)C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820913698 607087558 /nfs/dbraw/zinc/08/75/58/607087558.db2.gz JMPDOUQAPOQDTO-HNNXBMFYSA-N -1 3 355.467 3.412 20 0 FGADHM C[C@@H](c1ccccc1)n1ccc(NC(=O)Nc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000820569940 607115454 /nfs/dbraw/zinc/11/54/54/607115454.db2.gz BGQWFXRUIKLSTP-ZDUSSCGKSA-N -1 3 374.408 3.317 20 0 FGADHM C[C@@H](c1ccccc1)n1ccc(NC(=O)Nc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000820569940 607115456 /nfs/dbraw/zinc/11/54/56/607115456.db2.gz BGQWFXRUIKLSTP-ZDUSSCGKSA-N -1 3 374.408 3.317 20 0 FGADHM Fc1cccc(NCc2nnc(-c3ccccc3)s2)c1-c1nnn[n-]1 ZINC000822791952 607118518 /nfs/dbraw/zinc/11/85/18/607118518.db2.gz OHUFSYVQINMICL-UHFFFAOYSA-N -1 3 353.386 3.136 20 0 FGADHM Fc1cccc(NCc2nnc(-c3ccccc3)s2)c1-c1nn[n-]n1 ZINC000822791952 607118519 /nfs/dbraw/zinc/11/85/19/607118519.db2.gz OHUFSYVQINMICL-UHFFFAOYSA-N -1 3 353.386 3.136 20 0 FGADHM C[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)cc2F)C[C@H](c2ccsc2)O1 ZINC000820759352 607122577 /nfs/dbraw/zinc/12/25/77/607122577.db2.gz JSSDIOYQUIYFFS-BDJLRTHQSA-N -1 3 359.430 3.029 20 0 FGADHM C[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)cc2F)C[C@H](c2ccsc2)O1 ZINC000820759352 607122578 /nfs/dbraw/zinc/12/25/78/607122578.db2.gz JSSDIOYQUIYFFS-BDJLRTHQSA-N -1 3 359.430 3.029 20 0 FGADHM CCCCC[C@H](C)NC(=O)CNc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821049242 607123831 /nfs/dbraw/zinc/12/38/31/607123831.db2.gz JKIJLHGVBGTTGP-NSHDSACASA-N -1 3 350.854 3.017 20 0 FGADHM COC(=O)c1oc([C@H](C)Sc2nc(C)cc(C)c2-c2nnn[n-]2)cc1C ZINC000821671445 607148155 /nfs/dbraw/zinc/14/81/55/607148155.db2.gz WEUJILUEUZZXQR-NSHDSACASA-N -1 3 373.438 3.420 20 0 FGADHM COC(=O)c1oc([C@H](C)Sc2nc(C)cc(C)c2-c2nn[n-]n2)cc1C ZINC000821671445 607148156 /nfs/dbraw/zinc/14/81/56/607148156.db2.gz WEUJILUEUZZXQR-NSHDSACASA-N -1 3 373.438 3.420 20 0 FGADHM COCCC1(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)CC(C)C)CCC1 ZINC000821685820 607153652 /nfs/dbraw/zinc/15/36/52/607153652.db2.gz RDSVPLXLWKDDCT-UHFFFAOYSA-N -1 3 371.485 3.058 20 0 FGADHM COCCC1(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)CC(C)C)CCC1 ZINC000821685820 607153653 /nfs/dbraw/zinc/15/36/53/607153653.db2.gz RDSVPLXLWKDDCT-UHFFFAOYSA-N -1 3 371.485 3.058 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H](CC)OC1CCCCC1 ZINC000821399780 607156898 /nfs/dbraw/zinc/15/68/98/607156898.db2.gz BIGRUQFZRLQSOQ-MRXNPFEDSA-N -1 3 373.457 3.332 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H](CC)OC1CCCCC1 ZINC000821399780 607156900 /nfs/dbraw/zinc/15/69/00/607156900.db2.gz BIGRUQFZRLQSOQ-MRXNPFEDSA-N -1 3 373.457 3.332 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(C(=O)CC)cc1 ZINC000821411912 607157144 /nfs/dbraw/zinc/15/71/44/607157144.db2.gz DLPLAQAEBGVDLU-UHFFFAOYSA-N -1 3 365.393 3.110 20 0 FGADHM Cc1ccccc1-c1nc(COc2ccc(-c3nnn[n-]3)cc2Cl)no1 ZINC000822345710 607157750 /nfs/dbraw/zinc/15/77/50/607157750.db2.gz PRTKMPOCXMZGLH-UHFFFAOYSA-N -1 3 368.784 3.458 20 0 FGADHM Cc1ccccc1-c1nc(COc2ccc(-c3nn[n-]n3)cc2Cl)no1 ZINC000822345710 607157751 /nfs/dbraw/zinc/15/77/51/607157751.db2.gz PRTKMPOCXMZGLH-UHFFFAOYSA-N -1 3 368.784 3.458 20 0 FGADHM Fc1ccc(NCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)c(Cl)c1 ZINC000822782876 607165686 /nfs/dbraw/zinc/16/56/86/607165686.db2.gz KNZFIKFJVWDSCR-UHFFFAOYSA-N -1 3 371.763 3.321 20 0 FGADHM Fc1ccc(NCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)c(Cl)c1 ZINC000822782876 607165688 /nfs/dbraw/zinc/16/56/88/607165688.db2.gz KNZFIKFJVWDSCR-UHFFFAOYSA-N -1 3 371.763 3.321 20 0 FGADHM CCCc1ccc(NCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)cc1 ZINC000821143061 607167387 /nfs/dbraw/zinc/16/73/87/607167387.db2.gz QCCPOBTXFVDWJI-UHFFFAOYSA-N -1 3 361.409 3.481 20 0 FGADHM CCCc1ccc(NCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)cc1 ZINC000821143061 607167389 /nfs/dbraw/zinc/16/73/89/607167389.db2.gz QCCPOBTXFVDWJI-UHFFFAOYSA-N -1 3 361.409 3.481 20 0 FGADHM COc1cccc([C@@H]2C[C@H]2C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000821864301 607190710 /nfs/dbraw/zinc/19/07/10/607190710.db2.gz WDADGEGSLOHMHN-UONOGXRCSA-N -1 3 369.812 3.271 20 0 FGADHM COc1cccc([C@@H]2C[C@H]2C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000821864301 607190711 /nfs/dbraw/zinc/19/07/11/607190711.db2.gz WDADGEGSLOHMHN-UONOGXRCSA-N -1 3 369.812 3.271 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N[C@H]1CCCC(F)(F)C1 ZINC000823309010 607193677 /nfs/dbraw/zinc/19/36/77/607193677.db2.gz PEVUQKMQZWVZRX-VIFPVBQESA-N -1 3 356.764 3.220 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N[C@H]1CCCC(F)(F)C1 ZINC000823309010 607193678 /nfs/dbraw/zinc/19/36/78/607193678.db2.gz PEVUQKMQZWVZRX-VIFPVBQESA-N -1 3 356.764 3.220 20 0 FGADHM C[C@@H]1Cc2ccccc2CN1C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820813411 607196385 /nfs/dbraw/zinc/19/63/85/607196385.db2.gz GLHDWFPLENYGAK-LLVKDONJSA-N -1 3 368.828 3.499 20 0 FGADHM C[C@@H]1Cc2ccccc2CN1C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820813411 607196386 /nfs/dbraw/zinc/19/63/86/607196386.db2.gz GLHDWFPLENYGAK-LLVKDONJSA-N -1 3 368.828 3.499 20 0 FGADHM CO[C@H](CNC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)c1ccccc1 ZINC000821676872 607197234 /nfs/dbraw/zinc/19/72/34/607197234.db2.gz JCDWVCNKPAJSQQ-OAHLLOKOSA-N -1 3 372.816 3.029 20 0 FGADHM CO[C@H](CNC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)c1ccccc1 ZINC000821676872 607197235 /nfs/dbraw/zinc/19/72/35/607197235.db2.gz JCDWVCNKPAJSQQ-OAHLLOKOSA-N -1 3 372.816 3.029 20 0 FGADHM C[C@@H](CNC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)c1ccccc1 ZINC000820269718 607199607 /nfs/dbraw/zinc/19/96/07/607199607.db2.gz ONQTZNPDXSMHFM-NSHDSACASA-N -1 3 356.817 3.445 20 0 FGADHM C[C@@H](CNC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)c1ccccc1 ZINC000820269718 607199608 /nfs/dbraw/zinc/19/96/08/607199608.db2.gz ONQTZNPDXSMHFM-NSHDSACASA-N -1 3 356.817 3.445 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)NC1(c2ccccc2)CC1 ZINC000823319704 607199642 /nfs/dbraw/zinc/19/96/42/607199642.db2.gz XPEKGTVMRCQGSA-UHFFFAOYSA-N -1 3 354.801 3.331 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)NC1(c2ccccc2)CC1 ZINC000823319704 607199643 /nfs/dbraw/zinc/19/96/43/607199643.db2.gz XPEKGTVMRCQGSA-UHFFFAOYSA-N -1 3 354.801 3.331 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N[C@@H]1CCCC(F)(F)C1 ZINC000823318868 607202219 /nfs/dbraw/zinc/20/22/19/607202219.db2.gz MNWWYGDQWCAKQC-SECBINFHSA-N -1 3 356.764 3.220 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N[C@@H]1CCCC(F)(F)C1 ZINC000823318868 607202220 /nfs/dbraw/zinc/20/22/20/607202220.db2.gz MNWWYGDQWCAKQC-SECBINFHSA-N -1 3 356.764 3.220 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N1CCC[C@@H](C(F)(F)F)C1 ZINC000823313457 607204037 /nfs/dbraw/zinc/20/40/37/607204037.db2.gz BQJAAKVAJRVGSI-SECBINFHSA-N -1 3 374.754 3.326 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N1CCC[C@@H](C(F)(F)F)C1 ZINC000823313457 607204038 /nfs/dbraw/zinc/20/40/38/607204038.db2.gz BQJAAKVAJRVGSI-SECBINFHSA-N -1 3 374.754 3.326 20 0 FGADHM C[C@H](NC(=O)c1ncc(-c2nnn[n-]2)cc1Cl)c1ccc(Cl)cc1 ZINC000820404149 607231250 /nfs/dbraw/zinc/23/12/50/607231250.db2.gz QAUBAGURDNRLNJ-QMMMGPOBSA-N -1 3 363.208 3.060 20 0 FGADHM C[C@H](NC(=O)c1ncc(-c2nn[n-]n2)cc1Cl)c1ccc(Cl)cc1 ZINC000820404149 607231251 /nfs/dbraw/zinc/23/12/51/607231251.db2.gz QAUBAGURDNRLNJ-QMMMGPOBSA-N -1 3 363.208 3.060 20 0 FGADHM Cc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)oc1C ZINC000822176034 607239031 /nfs/dbraw/zinc/23/90/31/607239031.db2.gz DXULAHDXWFRCRV-UHFFFAOYSA-N -1 3 351.288 3.348 20 0 FGADHM Cc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)oc1C ZINC000822176034 607239032 /nfs/dbraw/zinc/23/90/32/607239032.db2.gz DXULAHDXWFRCRV-UHFFFAOYSA-N -1 3 351.288 3.348 20 0 FGADHM Cc1ccc2oc(C(=O)Nc3ccc(-c4nnn[n-]4)cc3Cl)cc2n1 ZINC000822284565 607241639 /nfs/dbraw/zinc/24/16/39/607241639.db2.gz VDSCFIJBSZSRET-UHFFFAOYSA-N -1 3 354.757 3.222 20 0 FGADHM Cc1ccc2oc(C(=O)Nc3ccc(-c4nn[n-]n4)cc3Cl)cc2n1 ZINC000822284565 607241640 /nfs/dbraw/zinc/24/16/40/607241640.db2.gz VDSCFIJBSZSRET-UHFFFAOYSA-N -1 3 354.757 3.222 20 0 FGADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)c1ccc(OC2CCC2)cc1 ZINC000823451110 607245782 /nfs/dbraw/zinc/24/57/82/607245782.db2.gz VGAHJOYXUAYZDR-UHFFFAOYSA-N -1 3 354.341 3.156 20 0 FGADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)c1ccc(OC2CCC2)cc1 ZINC000823451110 607245783 /nfs/dbraw/zinc/24/57/83/607245783.db2.gz VGAHJOYXUAYZDR-UHFFFAOYSA-N -1 3 354.341 3.156 20 0 FGADHM CC[C@H](Oc1cccc(C)c1)C(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000820939868 607246877 /nfs/dbraw/zinc/24/68/77/607246877.db2.gz ZQYXBHBQQTZKIV-HNNXBMFYSA-N -1 3 356.357 3.077 20 0 FGADHM CC[C@H](Oc1cccc(C)c1)C(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000820939868 607246878 /nfs/dbraw/zinc/24/68/78/607246878.db2.gz ZQYXBHBQQTZKIV-HNNXBMFYSA-N -1 3 356.357 3.077 20 0 FGADHM CC(C)c1ccc(OCC(=O)Oc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000820192261 607247706 /nfs/dbraw/zinc/24/77/06/607247706.db2.gz HFMQBHBGQGCCDK-UHFFFAOYSA-N -1 3 356.357 3.114 20 0 FGADHM CC(C)c1ccc(OCC(=O)Oc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000820192261 607247707 /nfs/dbraw/zinc/24/77/07/607247707.db2.gz HFMQBHBGQGCCDK-UHFFFAOYSA-N -1 3 356.357 3.114 20 0 FGADHM CCc1ccc(N[C@H](C)C(=O)Nc2ccccc2-c2nnn[n-]2)cc1F ZINC000825718132 607784929 /nfs/dbraw/zinc/78/49/29/607784929.db2.gz WVLUOOWDKBWLMI-LLVKDONJSA-N -1 3 354.389 3.007 20 0 FGADHM CCc1ccc(N[C@H](C)C(=O)Nc2ccccc2-c2nn[n-]n2)cc1F ZINC000825718132 607784930 /nfs/dbraw/zinc/78/49/30/607784930.db2.gz WVLUOOWDKBWLMI-LLVKDONJSA-N -1 3 354.389 3.007 20 0 FGADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)CCc2ccc(F)cc2F)s1 ZINC000825694595 607785803 /nfs/dbraw/zinc/78/58/03/607785803.db2.gz VLCYIWZFSFQTCS-UHFFFAOYSA-N -1 3 363.393 3.340 20 0 FGADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)CCc2ccc(F)cc2F)s1 ZINC000825694595 607785804 /nfs/dbraw/zinc/78/58/04/607785804.db2.gz VLCYIWZFSFQTCS-UHFFFAOYSA-N -1 3 363.393 3.340 20 0 FGADHM CN(C(=O)c1cc2ccc(F)cc2s1)c1ccccc1-c1nnn[n-]1 ZINC000825825999 607786500 /nfs/dbraw/zinc/78/65/00/607786500.db2.gz REIVMZDIIGULNH-UHFFFAOYSA-N -1 3 353.382 3.497 20 0 FGADHM CN(C(=O)c1cc2ccc(F)cc2s1)c1ccccc1-c1nn[n-]n1 ZINC000825825999 607786501 /nfs/dbraw/zinc/78/65/01/607786501.db2.gz REIVMZDIIGULNH-UHFFFAOYSA-N -1 3 353.382 3.497 20 0 FGADHM CN(C(=O)c1ccc(-c2ccco2)s1)c1ccccc1-c1nnn[n-]1 ZINC000825825299 607787265 /nfs/dbraw/zinc/78/72/65/607787265.db2.gz ABARXBZVEIDVTL-UHFFFAOYSA-N -1 3 351.391 3.465 20 0 FGADHM CN(C(=O)c1ccc(-c2ccco2)s1)c1ccccc1-c1nn[n-]n1 ZINC000825825299 607787266 /nfs/dbraw/zinc/78/72/66/607787266.db2.gz ABARXBZVEIDVTL-UHFFFAOYSA-N -1 3 351.391 3.465 20 0 FGADHM Cc1ccc(C(=O)N(C)c2ccccc2-c2nnn[n-]2)cc1Br ZINC000826281962 607787468 /nfs/dbraw/zinc/78/74/68/607787468.db2.gz RBXPIXXGVNKVSQ-UHFFFAOYSA-N -1 3 372.226 3.214 20 0 FGADHM Cc1ccc(C(=O)N(C)c2ccccc2-c2nn[n-]n2)cc1Br ZINC000826281962 607787469 /nfs/dbraw/zinc/78/74/69/607787469.db2.gz RBXPIXXGVNKVSQ-UHFFFAOYSA-N -1 3 372.226 3.214 20 0 FGADHM CCCC(CCC)C(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000825241860 607793666 /nfs/dbraw/zinc/79/36/66/607793666.db2.gz BVXOJRHPGJPAJQ-UHFFFAOYSA-N -1 3 371.485 3.453 20 0 FGADHM CCCC(CCC)C(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000825241860 607793667 /nfs/dbraw/zinc/79/36/67/607793667.db2.gz BVXOJRHPGJPAJQ-UHFFFAOYSA-N -1 3 371.485 3.453 20 0 FGADHM CC(=O)c1c(C)[nH]c(C(=O)N(C)c2cccc(-c3nnn[n-]3)c2)c1C(C)C ZINC000824011149 607805182 /nfs/dbraw/zinc/80/51/82/607805182.db2.gz XVIFDUOVAMESMB-UHFFFAOYSA-N -1 3 366.425 3.106 20 0 FGADHM CC(=O)c1c(C)[nH]c(C(=O)N(C)c2cccc(-c3nn[n-]n3)c2)c1C(C)C ZINC000824011149 607805183 /nfs/dbraw/zinc/80/51/83/607805183.db2.gz XVIFDUOVAMESMB-UHFFFAOYSA-N -1 3 366.425 3.106 20 0 FGADHM CC(C)(C)O[C@H](C(=O)Oc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000824119142 607830545 /nfs/dbraw/zinc/83/05/45/607830545.db2.gz BVTDUALJVXLATA-INIZCTEOSA-N -1 3 370.384 3.468 20 0 FGADHM CC(C)(C)O[C@H](C(=O)Oc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000824119142 607830546 /nfs/dbraw/zinc/83/05/46/607830546.db2.gz BVTDUALJVXLATA-INIZCTEOSA-N -1 3 370.384 3.468 20 0 FGADHM C[C@@H]1C[C@@H](C)CN(C(=O)c2c(Cl)cc(-c3nnn[n-]3)cc2Cl)C1 ZINC000824874836 607832040 /nfs/dbraw/zinc/83/20/40/607832040.db2.gz GMOGFSOTGIVTFM-RKDXNWHRSA-N -1 3 354.241 3.292 20 0 FGADHM C[C@@H]1C[C@@H](C)CN(C(=O)c2c(Cl)cc(-c3nn[n-]n3)cc2Cl)C1 ZINC000824874836 607832041 /nfs/dbraw/zinc/83/20/41/607832041.db2.gz GMOGFSOTGIVTFM-RKDXNWHRSA-N -1 3 354.241 3.292 20 0 FGADHM CCO[C@H]1C[C@@H](Nc2ccc3cc(-c4nnn[n-]4)ccc3n2)C12CCC2 ZINC000825581671 607841831 /nfs/dbraw/zinc/84/18/31/607841831.db2.gz CXZQQKGFYOYNRC-CVEARBPZSA-N -1 3 350.426 3.175 20 0 FGADHM CCO[C@H]1C[C@@H](Nc2ccc3cc(-c4nn[n-]n4)ccc3n2)C12CCC2 ZINC000825581671 607841832 /nfs/dbraw/zinc/84/18/32/607841832.db2.gz CXZQQKGFYOYNRC-CVEARBPZSA-N -1 3 350.426 3.175 20 0 FGADHM FC(F)(F)c1cc(N2CC[C@@H](C3CCOCC3)C2)ccc1-c1nnn[n-]1 ZINC000826368365 607851399 /nfs/dbraw/zinc/85/13/99/607851399.db2.gz MQHIPQSYTSLUOY-GFCCVEGCSA-N -1 3 367.375 3.138 20 0 FGADHM FC(F)(F)c1cc(N2CC[C@@H](C3CCOCC3)C2)ccc1-c1nn[n-]n1 ZINC000826368365 607851400 /nfs/dbraw/zinc/85/14/00/607851400.db2.gz MQHIPQSYTSLUOY-GFCCVEGCSA-N -1 3 367.375 3.138 20 0 FGADHM Cc1ccc(C(=O)Nc2ccccc2-c2nnn[n-]2)c(Br)c1 ZINC000826282618 607861462 /nfs/dbraw/zinc/86/14/62/607861462.db2.gz XUJNIJMTLDFDLF-UHFFFAOYSA-N -1 3 358.199 3.190 20 0 FGADHM Cc1ccc(C(=O)Nc2ccccc2-c2nn[n-]n2)c(Br)c1 ZINC000826282618 607861463 /nfs/dbraw/zinc/86/14/63/607861463.db2.gz XUJNIJMTLDFDLF-UHFFFAOYSA-N -1 3 358.199 3.190 20 0 FGADHM Cc1ccc(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)c(Br)c1 ZINC000826281108 607861710 /nfs/dbraw/zinc/86/17/10/607861710.db2.gz FJJPFVAOAYRVGP-UHFFFAOYSA-N -1 3 372.226 3.214 20 0 FGADHM O[C@H](COc1ccc(Cl)cc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000826505601 607869950 /nfs/dbraw/zinc/86/99/50/607869950.db2.gz ZWEAMVBWIJUGTK-CYBMUJFWSA-N -1 3 351.193 3.286 20 0 FGADHM O[C@H](COc1ccc(Cl)cc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000826505601 607869951 /nfs/dbraw/zinc/86/99/51/607869951.db2.gz ZWEAMVBWIJUGTK-CYBMUJFWSA-N -1 3 351.193 3.286 20 0 FGADHM C[C@H](OC[C@@H](O)COc1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)cc1 ZINC000824730374 607871011 /nfs/dbraw/zinc/87/10/11/607871011.db2.gz MZOIECLOBKPWQJ-BLLLJJGKSA-N -1 3 374.828 3.038 20 0 FGADHM C[C@H](OC[C@@H](O)COc1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)cc1 ZINC000824730374 607871012 /nfs/dbraw/zinc/87/10/12/607871012.db2.gz MZOIECLOBKPWQJ-BLLLJJGKSA-N -1 3 374.828 3.038 20 0 FGADHM CCN(C(=O)Cc1ccc(OC)cc1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825376717 607877892 /nfs/dbraw/zinc/87/78/92/607877892.db2.gz MHIJBJJUDUQLMA-UHFFFAOYSA-N -1 3 371.828 3.124 20 0 FGADHM CCN(C(=O)Cc1ccc(OC)cc1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825376717 607877893 /nfs/dbraw/zinc/87/78/93/607877893.db2.gz MHIJBJJUDUQLMA-UHFFFAOYSA-N -1 3 371.828 3.124 20 0 FGADHM CC(C)Oc1cccc(CN(C)C(=O)Nc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000824334234 607892672 /nfs/dbraw/zinc/89/26/72/607892672.db2.gz SQKDOZZNFDELJV-UHFFFAOYSA-N -1 3 366.425 3.318 20 0 FGADHM CC(C)Oc1cccc(CN(C)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000824334234 607892673 /nfs/dbraw/zinc/89/26/73/607892673.db2.gz SQKDOZZNFDELJV-UHFFFAOYSA-N -1 3 366.425 3.318 20 0 FGADHM COc1ccc(C(F)(F)C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826189405 607924338 /nfs/dbraw/zinc/92/43/38/607924338.db2.gz UZVHUVMRTUEMEL-LLVKDONJSA-N -1 3 374.347 3.272 20 0 FGADHM COc1ccc(C(F)(F)C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826189405 607924339 /nfs/dbraw/zinc/92/43/39/607924339.db2.gz UZVHUVMRTUEMEL-LLVKDONJSA-N -1 3 374.347 3.272 20 0 FGADHM Cc1cccc(C)c1NC(=S)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826296747 607930677 /nfs/dbraw/zinc/93/06/77/607930677.db2.gz IBNZZRCDMSCQHG-UHFFFAOYSA-N -1 3 350.451 3.243 20 0 FGADHM Cc1cccc(C)c1NC(=S)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826296747 607930678 /nfs/dbraw/zinc/93/06/78/607930678.db2.gz IBNZZRCDMSCQHG-UHFFFAOYSA-N -1 3 350.451 3.243 20 0 FGADHM CCC(=O)c1cc(C(=O)N(CC)c2ccc(-c3nnn[n-]3)cc2)ccc1F ZINC000825034207 607962832 /nfs/dbraw/zinc/96/28/32/607962832.db2.gz GQVTYXHFOQZFDK-UHFFFAOYSA-N -1 3 367.384 3.265 20 0 FGADHM CCC(=O)c1cc(C(=O)N(CC)c2ccc(-c3nn[n-]n3)cc2)ccc1F ZINC000825034207 607962833 /nfs/dbraw/zinc/96/28/33/607962833.db2.gz GQVTYXHFOQZFDK-UHFFFAOYSA-N -1 3 367.384 3.265 20 0 FGADHM CCC(=O)c1cc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2C)ccc1F ZINC000825035245 607963083 /nfs/dbraw/zinc/96/30/83/607963083.db2.gz YTFHWNKDRKQMFI-UHFFFAOYSA-N -1 3 368.368 3.264 20 0 FGADHM CCC(=O)c1cc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2C)ccc1F ZINC000825035245 607963084 /nfs/dbraw/zinc/96/30/84/607963084.db2.gz YTFHWNKDRKQMFI-UHFFFAOYSA-N -1 3 368.368 3.264 20 0 FGADHM O=C(C=Cc1ccnc(Cl)c1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000826402896 607963616 /nfs/dbraw/zinc/96/36/16/607963616.db2.gz FJWXKAYPRUMLLZ-DAFODLJHSA-N -1 3 361.192 3.220 20 0 FGADHM O=C(C=Cc1ccnc(Cl)c1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000826402896 607963617 /nfs/dbraw/zinc/96/36/17/607963617.db2.gz FJWXKAYPRUMLLZ-DAFODLJHSA-N -1 3 361.192 3.220 20 0 FGADHM CC(C)CN(C(=O)c1nc(Cl)ccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000824255494 607980222 /nfs/dbraw/zinc/98/02/22/607980222.db2.gz LMUHVLRWANRJMV-UHFFFAOYSA-N -1 3 374.807 3.357 20 0 FGADHM CC(C)CN(C(=O)c1nc(Cl)ccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000824255494 607980223 /nfs/dbraw/zinc/98/02/23/607980223.db2.gz LMUHVLRWANRJMV-UHFFFAOYSA-N -1 3 374.807 3.357 20 0 FGADHM CC(=Cc1cccc(Cl)c1)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000823942538 607984885 /nfs/dbraw/zinc/98/48/85/607984885.db2.gz FTAOCYQNXJHDEU-XFFZJAGNSA-N -1 3 371.803 3.379 20 0 FGADHM CC(=Cc1cccc(Cl)c1)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000823942538 607984886 /nfs/dbraw/zinc/98/48/86/607984886.db2.gz FTAOCYQNXJHDEU-XFFZJAGNSA-N -1 3 371.803 3.379 20 0 FGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)N1CCCC12CCCCC2 ZINC000826441543 607992125 /nfs/dbraw/zinc/99/21/25/607992125.db2.gz IXRMCZRGIIBSHE-UHFFFAOYSA-N -1 3 358.421 3.014 20 0 FGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)N1CCCC12CCCCC2 ZINC000826441543 607992126 /nfs/dbraw/zinc/99/21/26/607992126.db2.gz IXRMCZRGIIBSHE-UHFFFAOYSA-N -1 3 358.421 3.014 20 0 FGADHM Cc1sc(NC(=O)C=Cc2ccc(Cl)nc2)c(-c2nnn[n-]2)c1C ZINC000826349727 608000330 /nfs/dbraw/zinc/00/03/30/608000330.db2.gz SEJJFDAUQREPQO-XQRVVYSFSA-N -1 3 360.830 3.245 20 0 FGADHM Cc1sc(NC(=O)C=Cc2ccc(Cl)nc2)c(-c2nn[n-]n2)c1C ZINC000826349727 608000331 /nfs/dbraw/zinc/00/03/31/608000331.db2.gz SEJJFDAUQREPQO-XQRVVYSFSA-N -1 3 360.830 3.245 20 0 FGADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)[C@H](C)Cc2ccc(OC)cc2)s1 ZINC000825693967 608003854 /nfs/dbraw/zinc/00/38/54/608003854.db2.gz IWMOMNMEGGWUEZ-LLVKDONJSA-N -1 3 371.466 3.317 20 0 FGADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)[C@H](C)Cc2ccc(OC)cc2)s1 ZINC000825693967 608003855 /nfs/dbraw/zinc/00/38/55/608003855.db2.gz IWMOMNMEGGWUEZ-LLVKDONJSA-N -1 3 371.466 3.317 20 0 FGADHM CC(C)c1ccc([C@@H]2CCCN2C(=O)c2ccc(-c3nnn[n-]3)[nH]2)cc1 ZINC000824347852 608008336 /nfs/dbraw/zinc/00/83/36/608008336.db2.gz PQYYRVGCXGJYID-KRWDZBQOSA-N -1 3 350.426 3.296 20 0 FGADHM CC(C)c1ccc([C@@H]2CCCN2C(=O)c2ccc(-c3nn[n-]n3)[nH]2)cc1 ZINC000824347852 608008337 /nfs/dbraw/zinc/00/83/37/608008337.db2.gz PQYYRVGCXGJYID-KRWDZBQOSA-N -1 3 350.426 3.296 20 0 FGADHM Fc1ccc(F)c2c1ncc(-c1nnn[n-]1)c2NC1CCC(F)(F)CC1 ZINC000826375355 608053562 /nfs/dbraw/zinc/05/35/62/608053562.db2.gz KCELTIUVMMJLFN-UHFFFAOYSA-N -1 3 366.322 3.105 20 0 FGADHM Fc1ccc(F)c2c1ncc(-c1nn[n-]n1)c2NC1CCC(F)(F)CC1 ZINC000826375355 608053563 /nfs/dbraw/zinc/05/35/63/608053563.db2.gz KCELTIUVMMJLFN-UHFFFAOYSA-N -1 3 366.322 3.105 20 0 FGADHM COc1cccc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(C)C)c1F ZINC000826214387 608058146 /nfs/dbraw/zinc/05/81/46/608058146.db2.gz KIMSCKMIQQHYBA-UHFFFAOYSA-N -1 3 371.372 3.054 20 0 FGADHM COc1cccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(C)C)c1F ZINC000826214387 608058147 /nfs/dbraw/zinc/05/81/47/608058147.db2.gz KIMSCKMIQQHYBA-UHFFFAOYSA-N -1 3 371.372 3.054 20 0 FGADHM FC(F)Oc1cc(-c2nnn[n-]2)ccc1CN1CCCOc2ccccc21 ZINC000826369396 608063914 /nfs/dbraw/zinc/06/39/14/608063914.db2.gz ASIRIXZHPCNGGN-UHFFFAOYSA-N -1 3 373.363 3.257 20 0 FGADHM FC(F)Oc1cc(-c2nn[n-]n2)ccc1CN1CCCOc2ccccc21 ZINC000826369396 608063915 /nfs/dbraw/zinc/06/39/15/608063915.db2.gz ASIRIXZHPCNGGN-UHFFFAOYSA-N -1 3 373.363 3.257 20 0 FGADHM CCCCCC[C@H](C)C(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000825270768 608085396 /nfs/dbraw/zinc/08/53/96/608085396.db2.gz CPIBKYGNUXTBJH-YJBOKZPZSA-N -1 3 371.485 3.373 20 0 FGADHM CCCCCC[C@H](C)C(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000825270768 608085397 /nfs/dbraw/zinc/08/53/97/608085397.db2.gz CPIBKYGNUXTBJH-YJBOKZPZSA-N -1 3 371.485 3.373 20 0 FGADHM O=C1[C@H](Sc2ccccc2-c2nnn[n-]2)CCCN1c1ccccc1F ZINC000826478357 608111330 /nfs/dbraw/zinc/11/13/30/608111330.db2.gz ZYBQXGSCAIQYFM-MRXNPFEDSA-N -1 3 369.425 3.294 20 0 FGADHM O=C1[C@H](Sc2ccccc2-c2nn[n-]n2)CCCN1c1ccccc1F ZINC000826478357 608111331 /nfs/dbraw/zinc/11/13/31/608111331.db2.gz ZYBQXGSCAIQYFM-MRXNPFEDSA-N -1 3 369.425 3.294 20 0 FGADHM CC(C)Oc1ccc(NC(=O)c2cc(C(C)C)on2)cc1-c1nnn[n-]1 ZINC000824329406 608120435 /nfs/dbraw/zinc/12/04/35/608120435.db2.gz OXNSFOAEPYPVDA-UHFFFAOYSA-N -1 3 356.386 3.018 20 0 FGADHM CC(C)Oc1ccc(NC(=O)c2cc(C(C)C)on2)cc1-c1nn[n-]n1 ZINC000824329406 608120436 /nfs/dbraw/zinc/12/04/36/608120436.db2.gz OXNSFOAEPYPVDA-UHFFFAOYSA-N -1 3 356.386 3.018 20 0 FGADHM CC(C)(C)[C@@H]1C[C@H](Nc2nc3ccccc3cc2-c2nnn[n-]2)CCO1 ZINC000824077986 608149443 /nfs/dbraw/zinc/14/94/43/608149443.db2.gz GVAGXNUMYXKTSS-CJNGLKHVSA-N -1 3 352.442 3.421 20 0 FGADHM CC(C)(C)[C@@H]1C[C@H](Nc2nc3ccccc3cc2-c2nn[n-]n2)CCO1 ZINC000824077986 608149445 /nfs/dbraw/zinc/14/94/45/608149445.db2.gz GVAGXNUMYXKTSS-CJNGLKHVSA-N -1 3 352.442 3.421 20 0 FGADHM COc1ccc2c(c1)nccc2OCc1cc(-c2nn[n-]n2)ccc1OC ZINC000826212199 608152476 /nfs/dbraw/zinc/15/24/76/608152476.db2.gz JRFXALJBRYOMJP-UHFFFAOYSA-N -1 3 363.377 3.011 20 0 FGADHM Cc1ccc(F)c([C@@H](C)OC(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826289269 608165301 /nfs/dbraw/zinc/16/53/01/608165301.db2.gz SYJATVGOVQHVJU-OLZOCXBDSA-N -1 3 370.384 3.386 20 0 FGADHM Cc1cnc([C@@H](C)OC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)o1 ZINC000826317557 608170870 /nfs/dbraw/zinc/17/08/70/608170870.db2.gz HCWRDSRUKTZYQC-CYBMUJFWSA-N -1 3 371.397 3.017 20 0 FGADHM Cc1cnc([C@@H](C)OC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)o1 ZINC000826317557 608170872 /nfs/dbraw/zinc/17/08/72/608170872.db2.gz HCWRDSRUKTZYQC-CYBMUJFWSA-N -1 3 371.397 3.017 20 0 FGADHM C[C@@H](OC(=O)[C@H]1CCOc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000824716252 608183641 /nfs/dbraw/zinc/18/36/41/608183641.db2.gz XAYLXBCPGAAEMN-WBMJQRKESA-N -1 3 350.378 3.037 20 0 FGADHM C[C@@H](OC(=O)[C@H]1CCOc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000824716252 608183644 /nfs/dbraw/zinc/18/36/44/608183644.db2.gz XAYLXBCPGAAEMN-WBMJQRKESA-N -1 3 350.378 3.037 20 0 FGADHM CC[C@@H](C)[C@H](O)C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000825060937 608194797 /nfs/dbraw/zinc/19/47/97/608194797.db2.gz VHBKBZHXGDBQRR-PXAZEXFGSA-N -1 3 367.409 3.005 20 0 FGADHM CC[C@@H](C)[C@H](O)C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000825060937 608194799 /nfs/dbraw/zinc/19/47/99/608194799.db2.gz VHBKBZHXGDBQRR-PXAZEXFGSA-N -1 3 367.409 3.005 20 0 FGADHM CCN(Cc1ncn(-c2ccccc2)n1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825444817 608204062 /nfs/dbraw/zinc/20/40/62/608204062.db2.gz RRJHEFCZHZRZNQ-HNNXBMFYSA-N -1 3 374.452 3.031 20 0 FGADHM CCN(Cc1ncn(-c2ccccc2)n1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825444817 608204064 /nfs/dbraw/zinc/20/40/64/608204064.db2.gz RRJHEFCZHZRZNQ-HNNXBMFYSA-N -1 3 374.452 3.031 20 0 FGADHM c1ccc(CCOCCCNc2ccc3cc(-c4nnn[n-]4)ccc3n2)cc1 ZINC000826521401 608224084 /nfs/dbraw/zinc/22/40/84/608224084.db2.gz KXPBXPXCFISBFF-UHFFFAOYSA-N -1 3 374.448 3.476 20 0 FGADHM c1ccc(CCOCCCNc2ccc3cc(-c4nn[n-]n4)ccc3n2)cc1 ZINC000826521401 608224085 /nfs/dbraw/zinc/22/40/85/608224085.db2.gz KXPBXPXCFISBFF-UHFFFAOYSA-N -1 3 374.448 3.476 20 0 FGADHM COc1ccc2c(c1)OCC[C@H]2Nc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000826213425 608229946 /nfs/dbraw/zinc/22/99/46/608229946.db2.gz WITNSRNWUDDMBS-QGZVFWFLSA-N -1 3 374.404 3.359 20 0 FGADHM COc1ccc2c(c1)OCC[C@H]2Nc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000826213425 608229947 /nfs/dbraw/zinc/22/99/47/608229947.db2.gz WITNSRNWUDDMBS-QGZVFWFLSA-N -1 3 374.404 3.359 20 0 FGADHM c1ccc(Oc2ccc(CSc3ccc(-c4nnn[n-]4)cn3)nn2)cc1 ZINC000826523012 608231665 /nfs/dbraw/zinc/23/16/65/608231665.db2.gz XFTVTBSYYUKHHF-UHFFFAOYSA-N -1 3 363.406 3.136 20 0 FGADHM c1ccc(Oc2ccc(CSc3ccc(-c4nn[n-]n4)cn3)nn2)cc1 ZINC000826523012 608231666 /nfs/dbraw/zinc/23/16/66/608231666.db2.gz XFTVTBSYYUKHHF-UHFFFAOYSA-N -1 3 363.406 3.136 20 0 FGADHM Fc1ccc(F)c2c1CCN(c1ccc3cc(-c4nnn[n-]4)ccc3n1)C2 ZINC000826375145 608232839 /nfs/dbraw/zinc/23/28/39/608232839.db2.gz BJWCCPRAUISWFJ-UHFFFAOYSA-N -1 3 364.359 3.256 20 0 FGADHM Fc1ccc(F)c2c1CCN(c1ccc3cc(-c4nn[n-]n4)ccc3n1)C2 ZINC000826375145 608232842 /nfs/dbraw/zinc/23/28/42/608232842.db2.gz BJWCCPRAUISWFJ-UHFFFAOYSA-N -1 3 364.359 3.256 20 0 FGADHM OC[C@@H](Nc1cc(-c2nnn[n-]2)c2ccccc2n1)c1ccc(Cl)cc1 ZINC000826508582 608240210 /nfs/dbraw/zinc/24/02/10/608240210.db2.gz UXQDFZDNLVFFFY-MRXNPFEDSA-N -1 3 366.812 3.214 20 0 FGADHM OC[C@@H](Nc1cc(-c2nn[n-]n2)c2ccccc2n1)c1ccc(Cl)cc1 ZINC000826508582 608240211 /nfs/dbraw/zinc/24/02/11/608240211.db2.gz UXQDFZDNLVFFFY-MRXNPFEDSA-N -1 3 366.812 3.214 20 0 FGADHM CC[C@@H]1CC[C@H](C)N1C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000825192315 608245783 /nfs/dbraw/zinc/24/57/83/608245783.db2.gz GHZPWRKRTIQNOM-GOEBONIOSA-N -1 3 357.458 3.205 20 0 FGADHM CC[C@@H]1CC[C@H](C)N1C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000825192315 608245784 /nfs/dbraw/zinc/24/57/84/608245784.db2.gz GHZPWRKRTIQNOM-GOEBONIOSA-N -1 3 357.458 3.205 20 0 FGADHM C[C@H](OC(=O)C(F)(F)c1ccccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000824706982 608247802 /nfs/dbraw/zinc/24/78/02/608247802.db2.gz NBEPHZOGVUPNNI-JTQLQIEISA-N -1 3 362.311 3.402 20 0 FGADHM C[C@H](OC(=O)C(F)(F)c1ccccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000824706982 608247804 /nfs/dbraw/zinc/24/78/04/608247804.db2.gz NBEPHZOGVUPNNI-JTQLQIEISA-N -1 3 362.311 3.402 20 0 FGADHM CCc1cccnc1C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC000825728277 608269599 /nfs/dbraw/zinc/26/95/99/608269599.db2.gz LMBZFJCPYLGHSL-UHFFFAOYSA-N -1 3 364.453 3.123 20 0 FGADHM CCc1cccnc1C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC000825728277 608269601 /nfs/dbraw/zinc/26/96/01/608269601.db2.gz LMBZFJCPYLGHSL-UHFFFAOYSA-N -1 3 364.453 3.123 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)c(N[C@H](C)c2nc3ccccc3n2C(F)F)n1 ZINC000826274857 608271061 /nfs/dbraw/zinc/27/10/61/608271061.db2.gz HFFPKVNJRULGSI-SNVBAGLBSA-N -1 3 370.367 3.488 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)c(N[C@H](C)c2nc3ccccc3n2C(F)F)n1 ZINC000826274857 608271062 /nfs/dbraw/zinc/27/10/62/608271062.db2.gz HFFPKVNJRULGSI-SNVBAGLBSA-N -1 3 370.367 3.488 20 0 FGADHM CCOCc1ccc(CNc2nc3c(cc2-c2nnn[n-]2)CCCC3)cc1 ZINC000825603744 608272322 /nfs/dbraw/zinc/27/23/22/608272322.db2.gz ANKPRSLGOOOOLI-UHFFFAOYSA-N -1 3 364.453 3.289 20 0 FGADHM CCOCc1ccc(CNc2nc3c(cc2-c2nn[n-]n2)CCCC3)cc1 ZINC000825603744 608272324 /nfs/dbraw/zinc/27/23/24/608272324.db2.gz ANKPRSLGOOOOLI-UHFFFAOYSA-N -1 3 364.453 3.289 20 0 FGADHM c1cc2nc(N3CCC[C@@H](C[C@H]4CCOC4)C3)ccc2cc1-c1nnn[n-]1 ZINC000826518278 608297019 /nfs/dbraw/zinc/29/70/19/608297019.db2.gz IGAFQYPPRNOUFR-LSDHHAIUSA-N -1 3 364.453 3.058 20 0 FGADHM c1cc2nc(N3CCC[C@@H](C[C@H]4CCOC4)C3)ccc2cc1-c1nn[n-]n1 ZINC000826518278 608297021 /nfs/dbraw/zinc/29/70/21/608297021.db2.gz IGAFQYPPRNOUFR-LSDHHAIUSA-N -1 3 364.453 3.058 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)c(N[C@H](c2cccc(F)c2)c2ccccn2)n1 ZINC000826275042 608301769 /nfs/dbraw/zinc/30/17/69/608301769.db2.gz MFAIXXWIGYZHFD-QGZVFWFLSA-N -1 3 361.384 3.306 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)c(N[C@H](c2cccc(F)c2)c2ccccn2)n1 ZINC000826275042 608301771 /nfs/dbraw/zinc/30/17/71/608301771.db2.gz MFAIXXWIGYZHFD-QGZVFWFLSA-N -1 3 361.384 3.306 20 0 FGADHM C[C@@H](NC(=O)Nc1ccc(F)cc1-c1nnn[n-]1)c1cccc(F)c1F ZINC000824505843 608306495 /nfs/dbraw/zinc/30/64/95/608306495.db2.gz IGZZUPZBTNQDMD-MRVPVSSYSA-N -1 3 362.315 3.167 20 0 FGADHM C[C@@H](NC(=O)Nc1ccc(F)cc1-c1nn[n-]n1)c1cccc(F)c1F ZINC000824505843 608306499 /nfs/dbraw/zinc/30/64/99/608306499.db2.gz IGZZUPZBTNQDMD-MRVPVSSYSA-N -1 3 362.315 3.167 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1COc1cccc(NC(=O)C(C)C)c1 ZINC000826173103 608323670 /nfs/dbraw/zinc/32/36/70/608323670.db2.gz NHUNNILRGJZMQX-UHFFFAOYSA-N -1 3 367.409 3.049 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1COc1cccc(NC(=O)C(C)C)c1 ZINC000826173103 608323671 /nfs/dbraw/zinc/32/36/71/608323671.db2.gz NHUNNILRGJZMQX-UHFFFAOYSA-N -1 3 367.409 3.049 20 0 FGADHM CC[C@H](CSC)N(C)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825120577 608336560 /nfs/dbraw/zinc/33/65/60/608336560.db2.gz LUJYGKYUPVFESF-SNVBAGLBSA-N -1 3 354.867 3.125 20 0 FGADHM CC[C@H](CSC)N(C)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825120577 608336562 /nfs/dbraw/zinc/33/65/62/608336562.db2.gz LUJYGKYUPVFESF-SNVBAGLBSA-N -1 3 354.867 3.125 20 0 FGADHM CCN(C(=O)[C@@H]1COc2ccccc21)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825367001 608343489 /nfs/dbraw/zinc/34/34/89/608343489.db2.gz HWPUVOLEXDYFNF-CQSZACIVSA-N -1 3 369.812 3.049 20 0 FGADHM CCN(C(=O)[C@@H]1COc2ccccc21)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825367001 608343490 /nfs/dbraw/zinc/34/34/90/608343490.db2.gz HWPUVOLEXDYFNF-CQSZACIVSA-N -1 3 369.812 3.049 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1CN1CCCC[C@@H]1c1nccs1 ZINC000826169164 608357020 /nfs/dbraw/zinc/35/70/20/608357020.db2.gz KCNGOQDXFUNORG-CQSZACIVSA-N -1 3 356.455 3.059 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1CN1CCCC[C@@H]1c1nccs1 ZINC000826169164 608357021 /nfs/dbraw/zinc/35/70/21/608357021.db2.gz KCNGOQDXFUNORG-CQSZACIVSA-N -1 3 356.455 3.059 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)Cc1ccc(C)cc1Cl ZINC000826171845 608363393 /nfs/dbraw/zinc/36/33/93/608363393.db2.gz AQIGEGOMCHTFKG-UHFFFAOYSA-N -1 3 372.812 3.123 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)Cc1ccc(C)cc1Cl ZINC000826171845 608363396 /nfs/dbraw/zinc/36/33/96/608363396.db2.gz AQIGEGOMCHTFKG-UHFFFAOYSA-N -1 3 372.812 3.123 20 0 FGADHM O=C1Nc2cc(Br)ccc2C1=Cc1ccc(-c2nnn[n-]2)s1 ZINC000826483386 608387825 /nfs/dbraw/zinc/38/78/25/608387825.db2.gz LSNLZLAOZSYBLJ-POHAHGRESA-N -1 3 374.223 3.183 20 0 FGADHM CCc1ccc(N[C@H](C)C(=O)Nc2ccccc2-c2nnn[n-]2)cc1CC ZINC000825717095 608390642 /nfs/dbraw/zinc/39/06/42/608390642.db2.gz FWWFIGXMIVDBIB-CYBMUJFWSA-N -1 3 364.453 3.431 20 0 FGADHM CCc1ccc(N[C@H](C)C(=O)Nc2ccccc2-c2nn[n-]n2)cc1CC ZINC000825717095 608390643 /nfs/dbraw/zinc/39/06/43/608390643.db2.gz FWWFIGXMIVDBIB-CYBMUJFWSA-N -1 3 364.453 3.431 20 0 FGADHM C[C@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1Cl ZINC000826232000 608404251 /nfs/dbraw/zinc/40/42/51/608404251.db2.gz BQQMITDJRCJYOW-NSHDSACASA-N -1 3 356.817 3.081 20 0 FGADHM C[C@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1Cl ZINC000826232000 608404253 /nfs/dbraw/zinc/40/42/53/608404253.db2.gz BQQMITDJRCJYOW-NSHDSACASA-N -1 3 356.817 3.081 20 0 FGADHM Fc1c(CSCc2cccc3nsnc32)cccc1-c1nnn[n-]1 ZINC000826371105 608405041 /nfs/dbraw/zinc/40/50/41/608405041.db2.gz SWBGSYWQVSDNKQ-UHFFFAOYSA-N -1 3 358.427 3.444 20 0 FGADHM Fc1c(CSCc2cccc3nsnc32)cccc1-c1nn[n-]n1 ZINC000826371105 608405043 /nfs/dbraw/zinc/40/50/43/608405043.db2.gz SWBGSYWQVSDNKQ-UHFFFAOYSA-N -1 3 358.427 3.444 20 0 FGADHM C[C@H](CNC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1)C(C)(C)C ZINC000824420976 608410095 /nfs/dbraw/zinc/41/00/95/608410095.db2.gz RFHFZCAEIRYWFB-CQSZACIVSA-N -1 3 368.485 3.348 20 0 FGADHM C[C@H](CNC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1)C(C)(C)C ZINC000824420976 608410096 /nfs/dbraw/zinc/41/00/96/608410096.db2.gz RFHFZCAEIRYWFB-CQSZACIVSA-N -1 3 368.485 3.348 20 0 FGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)C1(c2ccc(Cl)cc2)CC1 ZINC000826466089 608435751 /nfs/dbraw/zinc/43/57/51/608435751.db2.gz OLYUFOGVADDNFJ-UHFFFAOYSA-N -1 3 372.787 3.434 20 0 FGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)C1(c2ccc(Cl)cc2)CC1 ZINC000826466089 608435753 /nfs/dbraw/zinc/43/57/53/608435753.db2.gz OLYUFOGVADDNFJ-UHFFFAOYSA-N -1 3 372.787 3.434 20 0 FGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000826465952 608443548 /nfs/dbraw/zinc/44/35/48/608443548.db2.gz JRXNJGKFICEHPN-ONGXEEELSA-N -1 3 372.322 3.418 20 0 FGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000826465952 608443550 /nfs/dbraw/zinc/44/35/50/608443550.db2.gz JRXNJGKFICEHPN-ONGXEEELSA-N -1 3 372.322 3.418 20 0 FGADHM C[C@H]1CC(Nc2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)C[C@H](C)O1 ZINC000824894026 608444538 /nfs/dbraw/zinc/44/45/38/608444538.db2.gz WRIMWKPUWGVCEC-IUCAKERBSA-N -1 3 360.368 3.061 20 0 FGADHM C[C@H]1CC(Nc2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)C[C@H](C)O1 ZINC000824894026 608444539 /nfs/dbraw/zinc/44/45/39/608444539.db2.gz WRIMWKPUWGVCEC-IUCAKERBSA-N -1 3 360.368 3.061 20 0 FGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)c1cc2cc(F)ccc2o1 ZINC000826466421 608448755 /nfs/dbraw/zinc/44/87/55/608448755.db2.gz BSDBAFZVFAGJKH-UHFFFAOYSA-N -1 3 356.288 3.248 20 0 FGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)c1cc2cc(F)ccc2o1 ZINC000826466421 608448757 /nfs/dbraw/zinc/44/87/57/608448757.db2.gz BSDBAFZVFAGJKH-UHFFFAOYSA-N -1 3 356.288 3.248 20 0 FGADHM COc1ccc(C(C)(C)C(=O)OCc2cccc(-c3nnn[n-]3)c2F)cc1 ZINC000826188199 608453594 /nfs/dbraw/zinc/45/35/94/608453594.db2.gz QDUHINNDPDNNST-UHFFFAOYSA-N -1 3 370.384 3.035 20 0 FGADHM COc1ccc(C(C)(C)C(=O)OCc2cccc(-c3nn[n-]n3)c2F)cc1 ZINC000826188199 608453595 /nfs/dbraw/zinc/45/35/95/608453595.db2.gz QDUHINNDPDNNST-UHFFFAOYSA-N -1 3 370.384 3.035 20 0 FGADHM Fc1ccc(CN2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c(F)c1 ZINC000826374052 608464360 /nfs/dbraw/zinc/46/43/60/608464360.db2.gz JPTAZOGZFLNNTJ-UHFFFAOYSA-N -1 3 353.376 3.434 20 0 FGADHM C[C@H](NCc1nc(C(F)(F)F)cs1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824624736 608467351 /nfs/dbraw/zinc/46/73/51/608467351.db2.gz BSHWRCQSHHEHTC-QMMMGPOBSA-N -1 3 354.361 3.193 20 0 FGADHM CC(C)(C)NC(=O)c1ccccc1NCc1cccc(-c2nnn[n-]2)c1F ZINC000824093703 608480414 /nfs/dbraw/zinc/48/04/14/608480414.db2.gz KKBKTCHIUFWGMD-UHFFFAOYSA-N -1 3 368.416 3.146 20 0 FGADHM CC(C)(C)NC(=O)c1ccccc1NCc1cccc(-c2nn[n-]n2)c1F ZINC000824093703 608480415 /nfs/dbraw/zinc/48/04/15/608480415.db2.gz KKBKTCHIUFWGMD-UHFFFAOYSA-N -1 3 368.416 3.146 20 0 FGADHM C[C@H](C(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1)c1ccsc1 ZINC000824040687 608484455 /nfs/dbraw/zinc/48/44/55/608484455.db2.gz SXIYKWCOHLTUOX-ZDUSSCGKSA-N -1 3 365.462 3.348 20 0 FGADHM C[C@H](C(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1)c1ccsc1 ZINC000824040687 608484456 /nfs/dbraw/zinc/48/44/56/608484456.db2.gz SXIYKWCOHLTUOX-ZDUSSCGKSA-N -1 3 365.462 3.348 20 0 FGADHM c1csc(-c2cc(CNC3(c4cccc(-c5nnn[n-]5)c4)CC3)no2)c1 ZINC000826513560 608529983 /nfs/dbraw/zinc/52/99/83/608529983.db2.gz OQOHAEJOIDMKNH-UHFFFAOYSA-N -1 3 364.434 3.362 20 0 FGADHM c1csc(-c2cc(CNC3(c4cccc(-c5nn[n-]n5)c4)CC3)no2)c1 ZINC000826513560 608529984 /nfs/dbraw/zinc/52/99/84/608529984.db2.gz OQOHAEJOIDMKNH-UHFFFAOYSA-N -1 3 364.434 3.362 20 0 FGADHM CC(C)N(Cc1cnc2ccc(-c3nnn[n-]3)cn12)Cc1ccccc1F ZINC000824296988 608532186 /nfs/dbraw/zinc/53/21/86/608532186.db2.gz NSBBPHUXWUHRKY-UHFFFAOYSA-N -1 3 365.416 3.064 20 0 FGADHM CC(C)N(Cc1cnc2ccc(-c3nn[n-]n3)cn12)Cc1ccccc1F ZINC000824296988 608532187 /nfs/dbraw/zinc/53/21/87/608532187.db2.gz NSBBPHUXWUHRKY-UHFFFAOYSA-N -1 3 365.416 3.064 20 0 FGADHM Clc1ccc([C@H]2CN(Cc3ccc(-c4nnn[n-]4)s3)CCO2)cc1 ZINC000826351172 608540838 /nfs/dbraw/zinc/54/08/38/608540838.db2.gz ANZFYMIWSUVRAP-CQSZACIVSA-N -1 3 361.858 3.155 20 0 FGADHM Clc1ccc([C@H]2CN(Cc3ccc(-c4nn[n-]n4)s3)CCO2)cc1 ZINC000826351172 608540839 /nfs/dbraw/zinc/54/08/39/608540839.db2.gz ANZFYMIWSUVRAP-CQSZACIVSA-N -1 3 361.858 3.155 20 0 FGADHM C[C@@H](NC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)c1ccc(F)cc1F ZINC000824522413 608572919 /nfs/dbraw/zinc/57/29/19/608572919.db2.gz SIPOYKKZBKQVMN-MRVPVSSYSA-N -1 3 363.755 3.289 20 0 FGADHM C[C@@H](NC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)c1ccc(F)cc1F ZINC000824522413 608572921 /nfs/dbraw/zinc/57/29/21/608572921.db2.gz SIPOYKKZBKQVMN-MRVPVSSYSA-N -1 3 363.755 3.289 20 0 FGADHM CCC(CC)n1nc(C)cc1C(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000825115080 608583590 /nfs/dbraw/zinc/58/35/90/608583590.db2.gz TXHKBMYCTKIQLO-UHFFFAOYSA-N -1 3 353.430 3.293 20 0 FGADHM CCC(CC)n1nc(C)cc1C(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000825115080 608583591 /nfs/dbraw/zinc/58/35/91/608583591.db2.gz TXHKBMYCTKIQLO-UHFFFAOYSA-N -1 3 353.430 3.293 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H](C)CCCc1ccccc1 ZINC000826185957 608584249 /nfs/dbraw/zinc/58/42/49/608584249.db2.gz YLXCOFUQOFLBGC-CQSZACIVSA-N -1 3 365.437 3.473 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H](C)CCCc1ccccc1 ZINC000826185957 608584250 /nfs/dbraw/zinc/58/42/50/608584250.db2.gz YLXCOFUQOFLBGC-CQSZACIVSA-N -1 3 365.437 3.473 20 0 FGADHM CC(C)(C)OC(=O)c1cccc(CNc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000824114524 608585116 /nfs/dbraw/zinc/58/51/16/608585116.db2.gz WAQMUOFYHALNKS-UHFFFAOYSA-N -1 3 351.410 3.434 20 0 FGADHM CSc1ccc(C)c(NC(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)c1 ZINC000826230151 608591989 /nfs/dbraw/zinc/59/19/89/608591989.db2.gz GZKLGGDDPNDDJR-LBPRGKRZSA-N -1 3 369.450 3.303 20 0 FGADHM CSc1ccc(C)c(NC(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)c1 ZINC000826230151 608591991 /nfs/dbraw/zinc/59/19/91/608591991.db2.gz GZKLGGDDPNDDJR-LBPRGKRZSA-N -1 3 369.450 3.303 20 0 FGADHM CC1(C)CO[C@H](c2ccccc2)CN1Cc1cccc(-c2nnn[n-]2)c1F ZINC000824813240 608647523 /nfs/dbraw/zinc/64/75/23/608647523.db2.gz WRRSZCASZFIKOV-KRWDZBQOSA-N -1 3 367.428 3.358 20 0 FGADHM CC1(C)CO[C@H](c2ccccc2)CN1Cc1cccc(-c2nn[n-]n2)c1F ZINC000824813240 608647524 /nfs/dbraw/zinc/64/75/24/608647524.db2.gz WRRSZCASZFIKOV-KRWDZBQOSA-N -1 3 367.428 3.358 20 0 FGADHM Fc1cc(Br)ccc1OCc1cccc(-c2nnn[n-]2)c1F ZINC000826372499 608670200 /nfs/dbraw/zinc/67/02/00/608670200.db2.gz ZJNCVXSHLQWAHG-UHFFFAOYSA-N -1 3 367.153 3.486 20 0 FGADHM Fc1cc(Br)ccc1OCc1cccc(-c2nn[n-]n2)c1F ZINC000826372499 608670201 /nfs/dbraw/zinc/67/02/01/608670201.db2.gz ZJNCVXSHLQWAHG-UHFFFAOYSA-N -1 3 367.153 3.486 20 0 FGADHM CC(C)Oc1ccc(CC[C@@H](C)Nc2cnccc2-c2nnn[n-]2)cc1 ZINC000824406524 608776153 /nfs/dbraw/zinc/77/61/53/608776153.db2.gz MCEKXSPXLBRPKX-CQSZACIVSA-N -1 3 352.442 3.482 20 0 FGADHM CC(C)Oc1ccc(CC[C@@H](C)Nc2cnccc2-c2nn[n-]n2)cc1 ZINC000824406524 608776155 /nfs/dbraw/zinc/77/61/55/608776155.db2.gz MCEKXSPXLBRPKX-CQSZACIVSA-N -1 3 352.442 3.482 20 0 FGADHM Cc1ccc2[nH]cc(C(=O)OCc3cccc(-c4nnn[n-]4)c3F)c2c1 ZINC000826293290 609133313 /nfs/dbraw/zinc/13/33/13/609133313.db2.gz JXBSTDVQDFSZRC-UHFFFAOYSA-N -1 3 351.341 3.153 20 0 FGADHM Cc1ccc2[nH]cc(C(=O)OCc3cccc(-c4nn[n-]n4)c3F)c2c1 ZINC000826293290 609133314 /nfs/dbraw/zinc/13/33/14/609133314.db2.gz JXBSTDVQDFSZRC-UHFFFAOYSA-N -1 3 351.341 3.153 20 0 FGADHM CC[C@@H](C)Oc1cc(C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)ccn1 ZINC000825075184 609158083 /nfs/dbraw/zinc/15/80/83/609158083.db2.gz MZDMWPMRPYPEMQ-SNVBAGLBSA-N -1 3 372.816 3.345 20 0 FGADHM CC[C@@H](C)Oc1cc(C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)ccn1 ZINC000825075184 609158085 /nfs/dbraw/zinc/15/80/85/609158085.db2.gz MZDMWPMRPYPEMQ-SNVBAGLBSA-N -1 3 372.816 3.345 20 0 FGADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)[C@@H]2CC23CCC3)c1-c1nnn[n-]1 ZINC000826233886 609168075 /nfs/dbraw/zinc/16/80/75/609168075.db2.gz YRETVALFIQBNIC-HNNXBMFYSA-N -1 3 362.437 3.403 20 0 FGADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)[C@@H]2CC23CCC3)c1-c1nn[n-]n1 ZINC000826233886 609168077 /nfs/dbraw/zinc/16/80/77/609168077.db2.gz YRETVALFIQBNIC-HNNXBMFYSA-N -1 3 362.437 3.403 20 0 FGADHM CCNc1ccc(-c2nn[n-]n2)cc1NCc1nc(C(F)(F)F)cs1 ZINC000825480738 609177718 /nfs/dbraw/zinc/17/77/18/609177718.db2.gz IJYNBNKLYQBESY-UHFFFAOYSA-N -1 3 369.376 3.386 20 0 FGADHM CC(C)Sc1ccc([C@H](C)NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)cc1 ZINC000824337938 609208026 /nfs/dbraw/zinc/20/80/26/609208026.db2.gz KPOHPIBSKAGSKX-NSHDSACASA-N -1 3 356.455 3.186 20 0 FGADHM CC(C)Sc1ccc([C@H](C)NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)cc1 ZINC000824337938 609208027 /nfs/dbraw/zinc/20/80/27/609208027.db2.gz KPOHPIBSKAGSKX-NSHDSACASA-N -1 3 356.455 3.186 20 0 FGADHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N(Cc1ccccc1Cl)C1CCCC1 ZINC000826469212 609218191 /nfs/dbraw/zinc/21/81/91/609218191.db2.gz XYMBMOXZSIVTEO-UHFFFAOYSA-N -1 3 370.844 3.433 20 0 FGADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N(Cc1ccccc1Cl)C1CCCC1 ZINC000826469212 609218192 /nfs/dbraw/zinc/21/81/92/609218192.db2.gz XYMBMOXZSIVTEO-UHFFFAOYSA-N -1 3 370.844 3.433 20 0 FGADHM O=C(OCc1ccccc1-c1nnn[n-]1)C1(c2ccc(F)cc2F)CCC1 ZINC000826466794 609248319 /nfs/dbraw/zinc/24/83/19/609248319.db2.gz UGKZPHVBUZCBQL-UHFFFAOYSA-N -1 3 370.359 3.310 20 0 FGADHM O=C(OCc1ccccc1-c1nn[n-]n1)C1(c2ccc(F)cc2F)CCC1 ZINC000826466794 609248321 /nfs/dbraw/zinc/24/83/21/609248321.db2.gz UGKZPHVBUZCBQL-UHFFFAOYSA-N -1 3 370.359 3.310 20 0 FGADHM C[C@@H](Nc1cc(N2CCCC2=O)ccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000824648544 609254256 /nfs/dbraw/zinc/25/42/56/609254256.db2.gz GWWPSXMVQJVUMO-GFCCVEGCSA-N -1 3 366.400 3.306 20 0 FGADHM C[C@@H](Nc1cc(N2CCCC2=O)ccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000824648544 609254258 /nfs/dbraw/zinc/25/42/58/609254258.db2.gz GWWPSXMVQJVUMO-GFCCVEGCSA-N -1 3 366.400 3.306 20 0 FGADHM CCc1cccc(OC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000825722496 609254878 /nfs/dbraw/zinc/25/48/78/609254878.db2.gz IMLZXKYZMOVVDQ-GOSISDBHSA-N -1 3 363.421 3.004 20 0 FGADHM C[C@@H](Nc1cc(F)cc(N2CCOCC2)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824650565 609277411 /nfs/dbraw/zinc/27/74/11/609277411.db2.gz RRKHKOCZUYVRJE-CYBMUJFWSA-N -1 3 368.416 3.016 20 0 FGADHM C[C@@H](Nc1cc(F)cc(N2CCOCC2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824650565 609277412 /nfs/dbraw/zinc/27/74/12/609277412.db2.gz RRKHKOCZUYVRJE-CYBMUJFWSA-N -1 3 368.416 3.016 20 0 FGADHM Fc1cccc(-n2ccc(NCCCc3ccccc3)n2)c1-c1nnn[n-]1 ZINC000826376914 609279260 /nfs/dbraw/zinc/27/92/60/609279260.db2.gz YCHZIZQMJSWBIZ-UHFFFAOYSA-N -1 3 363.400 3.236 20 0 FGADHM Fc1ccc(F)c(CNc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)c1 ZINC000826374908 609279667 /nfs/dbraw/zinc/27/96/67/609279667.db2.gz RBNPECMBFFDUKT-UHFFFAOYSA-N -1 3 371.326 3.082 20 0 FGADHM Cc1cc(Cl)c(C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1C ZINC000826267785 609282991 /nfs/dbraw/zinc/28/29/91/609282991.db2.gz WPSVJRYNEBYKJW-UHFFFAOYSA-N -1 3 359.792 3.206 20 0 FGADHM Cc1cc(Cl)c(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1C ZINC000826267785 609282993 /nfs/dbraw/zinc/28/29/93/609282993.db2.gz WPSVJRYNEBYKJW-UHFFFAOYSA-N -1 3 359.792 3.206 20 0 FGADHM Cc1nc2cc(NC(=O)Nc3cccc(-c4nnn[n-]4)c3)ccc2s1 ZINC000826328421 609283436 /nfs/dbraw/zinc/28/34/36/609283436.db2.gz QSJOZHIFJOQLPH-UHFFFAOYSA-N -1 3 351.395 3.429 20 0 FGADHM Cc1nc2cc(NC(=O)Nc3cccc(-c4nn[n-]n4)c3)ccc2s1 ZINC000826328421 609283437 /nfs/dbraw/zinc/28/34/37/609283437.db2.gz QSJOZHIFJOQLPH-UHFFFAOYSA-N -1 3 351.395 3.429 20 0 FGADHM Cc1c(C(=O)Oc2ccc(-c3nnn[n-]3)cc2F)cnn1C1CCCCC1 ZINC000826236108 609284281 /nfs/dbraw/zinc/28/42/81/609284281.db2.gz YSXNTSUVTYPJHL-UHFFFAOYSA-N -1 3 370.388 3.235 20 0 FGADHM Cc1c(C(=O)Oc2ccc(-c3nn[n-]n3)cc2F)cnn1C1CCCCC1 ZINC000826236108 609284283 /nfs/dbraw/zinc/28/42/83/609284283.db2.gz YSXNTSUVTYPJHL-UHFFFAOYSA-N -1 3 370.388 3.235 20 0 FGADHM Cc1nc2cc(NC(=O)CCc3ccc(-c4nnn[n-]4)cc3)ccc2s1 ZINC000826328232 609287660 /nfs/dbraw/zinc/28/76/60/609287660.db2.gz JXEZRFIQOXPUTP-UHFFFAOYSA-N -1 3 364.434 3.356 20 0 FGADHM Cc1nc2cc(NC(=O)CCc3ccc(-c4nn[n-]n4)cc3)ccc2s1 ZINC000826328232 609287661 /nfs/dbraw/zinc/28/76/61/609287661.db2.gz JXEZRFIQOXPUTP-UHFFFAOYSA-N -1 3 364.434 3.356 20 0 FGADHM CC[C@@H](CC(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1)C(C)C ZINC000825081375 609289090 /nfs/dbraw/zinc/28/90/90/609289090.db2.gz IOERMXPGODAFJU-LBPRGKRZSA-N -1 3 371.420 3.202 20 0 FGADHM CSc1ccccc1COC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000826231542 609292413 /nfs/dbraw/zinc/29/24/13/609292413.db2.gz PGBLXLCMNXEXEW-ZHACJKMWSA-N -1 3 352.419 3.345 20 0 FGADHM CSc1ccccc1COC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000826231542 609292415 /nfs/dbraw/zinc/29/24/15/609292415.db2.gz PGBLXLCMNXEXEW-ZHACJKMWSA-N -1 3 352.419 3.345 20 0 FGADHM CSc1ccccc1COC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000826231679 609292471 /nfs/dbraw/zinc/29/24/71/609292471.db2.gz VPOMGIQJKUCAHA-GFCCVEGCSA-N -1 3 370.434 3.099 20 0 FGADHM CCC(CC)[C@@H](C)C(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000825096634 609292520 /nfs/dbraw/zinc/29/25/20/609292520.db2.gz PCFZHXZCYAMFQJ-LLVKDONJSA-N -1 3 371.420 3.202 20 0 FGADHM Cc1nscc1C(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000826340075 609297720 /nfs/dbraw/zinc/29/77/20/609297720.db2.gz GONVCKGBMNTQNZ-UHFFFAOYSA-N -1 3 369.435 3.007 20 0 FGADHM Cc1nscc1C(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826340075 609297721 /nfs/dbraw/zinc/29/77/21/609297721.db2.gz GONVCKGBMNTQNZ-UHFFFAOYSA-N -1 3 369.435 3.007 20 0 FGADHM Cn1cccc1[C@H]1CCCCN1C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826363518 609301309 /nfs/dbraw/zinc/30/13/09/609301309.db2.gz QANWIRZINNVGRL-MRXNPFEDSA-N -1 3 370.844 3.226 20 0 FGADHM Cn1cccc1[C@H]1CCCCN1C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826363518 609301311 /nfs/dbraw/zinc/30/13/11/609301311.db2.gz QANWIRZINNVGRL-MRXNPFEDSA-N -1 3 370.844 3.226 20 0 FGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NCc1ccc2c(c1)COC2 ZINC000824324812 609311066 /nfs/dbraw/zinc/31/10/66/609311066.db2.gz WFFOZYJMPPSUOG-UHFFFAOYSA-N -1 3 351.410 3.296 20 0 FGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NCc1ccc2c(c1)COC2 ZINC000824324812 609311068 /nfs/dbraw/zinc/31/10/68/609311068.db2.gz WFFOZYJMPPSUOG-UHFFFAOYSA-N -1 3 351.410 3.296 20 0 FGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H](F)Cc1ccccc1 ZINC000824293490 609312261 /nfs/dbraw/zinc/31/22/61/609312261.db2.gz OAWNLFQCFQACNE-SFHVURJKSA-N -1 3 367.428 3.185 20 0 FGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@H](F)Cc1ccccc1 ZINC000824293490 609312263 /nfs/dbraw/zinc/31/22/63/609312263.db2.gz OAWNLFQCFQACNE-SFHVURJKSA-N -1 3 367.428 3.185 20 0 FGADHM FC(F)O[C@@H]1CCCN(c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)C1 ZINC000826369681 609316682 /nfs/dbraw/zinc/31/66/82/609316682.db2.gz MIXMLPZBTDYJDG-SECBINFHSA-N -1 3 363.290 3.094 20 0 FGADHM FC(F)O[C@@H]1CCCN(c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)C1 ZINC000826369681 609316684 /nfs/dbraw/zinc/31/66/84/609316684.db2.gz MIXMLPZBTDYJDG-SECBINFHSA-N -1 3 363.290 3.094 20 0 FGADHM Cc1cccc(CNc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)c1C ZINC000826298059 609322638 /nfs/dbraw/zinc/32/26/38/609322638.db2.gz BPJHZGFYCGAFQC-UHFFFAOYSA-N -1 3 363.400 3.420 20 0 FGADHM C[C@H](NCc1ccccc1OC(F)F)c1ccc(-c2nn[n-]n2)cc1F ZINC000824627346 609324805 /nfs/dbraw/zinc/32/48/05/609324805.db2.gz XHILTLNJQDTRGQ-JTQLQIEISA-N -1 3 363.343 3.458 20 0 FGADHM C[C@H](NCc1nnc(C(C)(C)C)s1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824634240 609343817 /nfs/dbraw/zinc/34/38/17/609343817.db2.gz UDZFHWUTSZPLBB-VIFPVBQESA-N -1 3 361.450 3.006 20 0 FGADHM C[C@H](NCc1nnc(C(C)(C)C)s1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824634240 609343818 /nfs/dbraw/zinc/34/38/18/609343818.db2.gz UDZFHWUTSZPLBB-VIFPVBQESA-N -1 3 361.450 3.006 20 0 FGADHM CCC(C)(C)C(=O)OCc1ccc(-c2nnn[n-]2)cc1Br ZINC000825039588 609344581 /nfs/dbraw/zinc/34/45/81/609344581.db2.gz VAJXXFUVCZVQLY-UHFFFAOYSA-N -1 3 353.220 3.109 20 0 FGADHM CCC(C)(C)C(=O)OCc1ccc(-c2nn[n-]n2)cc1Br ZINC000825039588 609344583 /nfs/dbraw/zinc/34/45/83/609344583.db2.gz VAJXXFUVCZVQLY-UHFFFAOYSA-N -1 3 353.220 3.109 20 0 FGADHM COc1ccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2F)cc1NC(C)=O ZINC000826210647 609348326 /nfs/dbraw/zinc/34/83/26/609348326.db2.gz ZFYUDBFVFFTDRP-JTQLQIEISA-N -1 3 370.388 3.146 20 0 FGADHM COc1ccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2F)cc1NC(C)=O ZINC000826210647 609348328 /nfs/dbraw/zinc/34/83/28/609348328.db2.gz ZFYUDBFVFFTDRP-JTQLQIEISA-N -1 3 370.388 3.146 20 0 FGADHM O=C(N[C@@H]1CC=C(c2ccc(F)cc2)CC1)c1cc(-c2nnn[n-]2)cs1 ZINC000826428805 609350463 /nfs/dbraw/zinc/35/04/63/609350463.db2.gz LVHUCDWAUMTGFG-OAHLLOKOSA-N -1 3 369.425 3.433 20 0 FGADHM O=C(N[C@@H]1CC=C(c2ccc(F)cc2)CC1)c1cc(-c2nn[n-]n2)cs1 ZINC000826428805 609350465 /nfs/dbraw/zinc/35/04/65/609350465.db2.gz LVHUCDWAUMTGFG-OAHLLOKOSA-N -1 3 369.425 3.433 20 0 FGADHM CC(C)OCCOC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000824315503 609350635 /nfs/dbraw/zinc/35/06/35/609350635.db2.gz PVJIGHDTLIAECW-UHFFFAOYSA-N -1 3 368.393 3.241 20 0 FGADHM CC(C)OCCOC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000824315503 609350636 /nfs/dbraw/zinc/35/06/36/609350636.db2.gz PVJIGHDTLIAECW-UHFFFAOYSA-N -1 3 368.393 3.241 20 0 FGADHM COC(=O)[C@@H](Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1)C1CC1 ZINC000826111914 609373173 /nfs/dbraw/zinc/37/31/73/609373173.db2.gz OFSVFAGNLNPIHB-KRWDZBQOSA-N -1 3 365.393 3.023 20 0 FGADHM COC(=O)[C@@H](Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)C1CC1 ZINC000826111914 609373176 /nfs/dbraw/zinc/37/31/76/609373176.db2.gz OFSVFAGNLNPIHB-KRWDZBQOSA-N -1 3 365.393 3.023 20 0 FGADHM CC(C)[C@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1ccc(Cl)cc1F ZINC000824191092 609375244 /nfs/dbraw/zinc/37/52/44/609375244.db2.gz CZENEDZWMUWOHV-AWEZNQCLSA-N -1 3 362.796 3.114 20 0 FGADHM CC(C)[C@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccc(Cl)cc1F ZINC000824191092 609375247 /nfs/dbraw/zinc/37/52/47/609375247.db2.gz CZENEDZWMUWOHV-AWEZNQCLSA-N -1 3 362.796 3.114 20 0 FGADHM CC[C@@H]1C[C@H](CC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(C)C)CCO1 ZINC000825182950 609380068 /nfs/dbraw/zinc/38/00/68/609380068.db2.gz MRDLZDZHGFJPKB-UKRRQHHQSA-N -1 3 373.457 3.188 20 0 FGADHM CC[C@@H]1C[C@H](CC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(C)C)CCO1 ZINC000825182950 609380069 /nfs/dbraw/zinc/38/00/69/609380069.db2.gz MRDLZDZHGFJPKB-UKRRQHHQSA-N -1 3 373.457 3.188 20 0 FGADHM O=C(OC[C@@H]1CCc2ccccc2C1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000826463272 609385519 /nfs/dbraw/zinc/38/55/19/609385519.db2.gz YHHNNLPJLQCOAY-LLVKDONJSA-N -1 3 370.359 3.107 20 0 FGADHM O=C(OC[C@@H]1CCc2ccccc2C1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826463272 609385522 /nfs/dbraw/zinc/38/55/22/609385522.db2.gz YHHNNLPJLQCOAY-LLVKDONJSA-N -1 3 370.359 3.107 20 0 FGADHM O=C(O[C@H]1CCSC1)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826462979 609386905 /nfs/dbraw/zinc/38/69/05/609386905.db2.gz PCSUKTYKOCUCJK-LBPRGKRZSA-N -1 3 368.418 3.321 20 0 FGADHM O=C(O[C@H]1CCSC1)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826462979 609386908 /nfs/dbraw/zinc/38/69/08/609386908.db2.gz PCSUKTYKOCUCJK-LBPRGKRZSA-N -1 3 368.418 3.321 20 0 FGADHM CC(=O)c1ccc(-c2nnn[n-]2)cc1N1CCc2[nH]c3ccccc3c2C1 ZINC000824019466 609419093 /nfs/dbraw/zinc/41/90/93/609419093.db2.gz BLOBQBSPBIQETE-UHFFFAOYSA-N -1 3 358.405 3.113 20 0 FGADHM CC(=O)c1ccc(-c2nn[n-]n2)cc1N1CCc2[nH]c3ccccc3c2C1 ZINC000824019466 609419095 /nfs/dbraw/zinc/41/90/95/609419095.db2.gz BLOBQBSPBIQETE-UHFFFAOYSA-N -1 3 358.405 3.113 20 0 FGADHM CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000825075894 609420839 /nfs/dbraw/zinc/42/08/39/609420839.db2.gz SOMDDURFLHFSJE-ZDUSSCGKSA-N -1 3 351.410 3.398 20 0 FGADHM CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825075894 609420842 /nfs/dbraw/zinc/42/08/42/609420842.db2.gz SOMDDURFLHFSJE-ZDUSSCGKSA-N -1 3 351.410 3.398 20 0 FGADHM CC(C)Nc1cc(F)ccc1NCCOc1cccc(-c2nnn[n-]2)c1 ZINC000824304572 609438419 /nfs/dbraw/zinc/43/84/19/609438419.db2.gz BJCBTNHVVYOMLC-UHFFFAOYSA-N -1 3 356.405 3.317 20 0 FGADHM CC(C)Nc1cc(F)ccc1NCCOc1cccc(-c2nn[n-]n2)c1 ZINC000824304572 609438421 /nfs/dbraw/zinc/43/84/21/609438421.db2.gz BJCBTNHVVYOMLC-UHFFFAOYSA-N -1 3 356.405 3.317 20 0 FGADHM c1ccc(-n2nc(CNc3cccc(-c4nnn[n-]4)c3)c3c2CCC3)cc1 ZINC000826519552 609438423 /nfs/dbraw/zinc/43/84/23/609438423.db2.gz CSEUMPPEASTCSL-UHFFFAOYSA-N -1 3 357.421 3.153 20 0 FGADHM c1ccc(-n2nc(CNc3cccc(-c4nn[n-]n4)c3)c3c2CCC3)cc1 ZINC000826519552 609438424 /nfs/dbraw/zinc/43/84/24/609438424.db2.gz CSEUMPPEASTCSL-UHFFFAOYSA-N -1 3 357.421 3.153 20 0 FGADHM COCc1cc(NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)ncn1 ZINC000826164373 609440115 /nfs/dbraw/zinc/44/01/15/609440115.db2.gz VOMHKBYBVUAENU-UHFFFAOYSA-N -1 3 373.420 3.082 20 0 FGADHM COCc1cc(NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)ncn1 ZINC000826164373 609440117 /nfs/dbraw/zinc/44/01/17/609440117.db2.gz VOMHKBYBVUAENU-UHFFFAOYSA-N -1 3 373.420 3.082 20 0 FGADHM CC(C)Oc1cc(F)ccc1NC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000824319328 609447250 /nfs/dbraw/zinc/44/72/50/609447250.db2.gz MCCWSZAHXIGTME-UHFFFAOYSA-N -1 3 356.361 3.437 20 0 FGADHM CC(C)Oc1cc(F)ccc1NC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000824319328 609447252 /nfs/dbraw/zinc/44/72/52/609447252.db2.gz MCCWSZAHXIGTME-UHFFFAOYSA-N -1 3 356.361 3.437 20 0 FGADHM O=C(Nc1nc(-c2ccccc2Cl)cs1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826459812 609458256 /nfs/dbraw/zinc/45/82/56/609458256.db2.gz ACTBKHJBBJWNTJ-UHFFFAOYSA-N -1 3 371.813 3.224 20 0 FGADHM O=C(Nc1nc(-c2ccccc2Cl)cs1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826459812 609458257 /nfs/dbraw/zinc/45/82/57/609458257.db2.gz ACTBKHJBBJWNTJ-UHFFFAOYSA-N -1 3 371.813 3.224 20 0 FGADHM O=C(COc1ccc(-c2nn[n-]n2)cc1)Nc1csc2ccccc12 ZINC000826417217 609459728 /nfs/dbraw/zinc/45/97/28/609459728.db2.gz IWDRHQDRFVXCBX-UHFFFAOYSA-N -1 3 351.391 3.099 20 0 FGADHM O=C(c1c(F)cc(-c2nnn[n-]2)cc1F)N1CCC[C@H]1c1ccccc1 ZINC000826468707 609470463 /nfs/dbraw/zinc/47/04/63/609470463.db2.gz DQBGMMWIXOOODS-HNNXBMFYSA-N -1 3 355.348 3.122 20 0 FGADHM O=C(c1c(F)cc(-c2nn[n-]n2)cc1F)N1CCC[C@H]1c1ccccc1 ZINC000826468707 609470465 /nfs/dbraw/zinc/47/04/65/609470465.db2.gz DQBGMMWIXOOODS-HNNXBMFYSA-N -1 3 355.348 3.122 20 0 FGADHM c1cncc(CNc2ccc(OCc3cccc(-c4nnn[n-]4)c3)cc2)c1 ZINC000826525509 609485395 /nfs/dbraw/zinc/48/53/95/609485395.db2.gz NEGMUBNVXWMYSZ-UHFFFAOYSA-N -1 3 358.405 3.453 20 0 FGADHM c1cncc(CNc2ccc(OCc3cccc(-c4nn[n-]n4)c3)cc2)c1 ZINC000826525509 609485396 /nfs/dbraw/zinc/48/53/96/609485396.db2.gz NEGMUBNVXWMYSZ-UHFFFAOYSA-N -1 3 358.405 3.453 20 0 FGADHM COc1cc(CNc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)cc(OC)c1 ZINC000826179587 609491507 /nfs/dbraw/zinc/49/15/07/609491507.db2.gz VQAKCJVXLGRSRD-UHFFFAOYSA-N -1 3 369.425 3.283 20 0 FGADHM COc1cc(CNc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)cc(OC)c1 ZINC000826179587 609491509 /nfs/dbraw/zinc/49/15/09/609491509.db2.gz VQAKCJVXLGRSRD-UHFFFAOYSA-N -1 3 369.425 3.283 20 0 FGADHM Cc1cccn2c(CNc3ccc(OC(C)C)c(-c4nnn[n-]4)c3)cnc12 ZINC000826307936 609491523 /nfs/dbraw/zinc/49/15/23/609491523.db2.gz CEETWFYNZLQMRR-UHFFFAOYSA-N -1 3 363.425 3.222 20 0 FGADHM Cc1cccn2c(CNc3ccc(OC(C)C)c(-c4nn[n-]n4)c3)cnc12 ZINC000826307936 609491526 /nfs/dbraw/zinc/49/15/26/609491526.db2.gz CEETWFYNZLQMRR-UHFFFAOYSA-N -1 3 363.425 3.222 20 0 FGADHM Cc1nc2ccccn2c1CNc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000826328737 609493983 /nfs/dbraw/zinc/49/39/83/609493983.db2.gz AUZSZVYJCLEWLZ-UHFFFAOYSA-N -1 3 363.425 3.222 20 0 FGADHM Cc1nc2ccccn2c1CNc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000826328737 609493984 /nfs/dbraw/zinc/49/39/84/609493984.db2.gz AUZSZVYJCLEWLZ-UHFFFAOYSA-N -1 3 363.425 3.222 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1cccnc1C1CC1 ZINC000826452018 609503271 /nfs/dbraw/zinc/50/32/71/609503271.db2.gz FNSOSFMWFNIBHI-UHFFFAOYSA-N -1 3 374.326 3.410 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1cccnc1C1CC1 ZINC000826452018 609503272 /nfs/dbraw/zinc/50/32/72/609503272.db2.gz FNSOSFMWFNIBHI-UHFFFAOYSA-N -1 3 374.326 3.410 20 0 FGADHM CCC[C@H]1C[C@@H](C(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)CCO1 ZINC000825255182 609578526 /nfs/dbraw/zinc/57/85/26/609578526.db2.gz WBQOLRYOKJSULF-ZFWWWQNUSA-N -1 3 373.457 3.188 20 0 FGADHM CCC[C@H]1C[C@@H](C(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)CCO1 ZINC000825255182 609578528 /nfs/dbraw/zinc/57/85/28/609578528.db2.gz WBQOLRYOKJSULF-ZFWWWQNUSA-N -1 3 373.457 3.188 20 0 FGADHM Cc1ccnc(N[C@@H]2CC(C)(C)Oc3cc(F)ccc32)c1-c1nnn[n-]1 ZINC000826311326 609579028 /nfs/dbraw/zinc/57/90/28/609579028.db2.gz ATLBYPJQUBBYIB-CYBMUJFWSA-N -1 3 354.389 3.424 20 0 FGADHM Cc1ccnc(N[C@@H]2CC(C)(C)Oc3cc(F)ccc32)c1-c1nn[n-]n1 ZINC000826311326 609579029 /nfs/dbraw/zinc/57/90/29/609579029.db2.gz ATLBYPJQUBBYIB-CYBMUJFWSA-N -1 3 354.389 3.424 20 0 FGADHM Cc1c(Cl)cnc(N2CCC(c3ccccn3)CC2)c1-c1nnn[n-]1 ZINC000826237455 609580033 /nfs/dbraw/zinc/58/00/33/609580033.db2.gz AKNHWWMCDUIEQM-UHFFFAOYSA-N -1 3 355.833 3.003 20 0 FGADHM Cc1c(Cl)cnc(N2CCC(c3ccccn3)CC2)c1-c1nn[n-]n1 ZINC000826237455 609580035 /nfs/dbraw/zinc/58/00/35/609580035.db2.gz AKNHWWMCDUIEQM-UHFFFAOYSA-N -1 3 355.833 3.003 20 0 FGADHM Cc1c(Cl)cnc(N2C[C@H](C(F)(F)F)CC[C@H]2C)c1-c1nnn[n-]1 ZINC000826237271 609585749 /nfs/dbraw/zinc/58/57/49/609585749.db2.gz ULJHJIPHWOKZLQ-VXNVDRBHSA-N -1 3 360.771 3.391 20 0 FGADHM Cc1c(Cl)cnc(N2C[C@H](C(F)(F)F)CC[C@H]2C)c1-c1nn[n-]n1 ZINC000826237271 609585752 /nfs/dbraw/zinc/58/57/52/609585752.db2.gz ULJHJIPHWOKZLQ-VXNVDRBHSA-N -1 3 360.771 3.391 20 0 FGADHM CN(C[C@@H]1CC=CCC1)C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000825908632 609607787 /nfs/dbraw/zinc/60/77/87/609607787.db2.gz KEJHEVYHBRKJTE-MRXNPFEDSA-N -1 3 369.469 3.231 20 0 FGADHM CN(C[C@@H]1CC=CCC1)C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000825908632 609607789 /nfs/dbraw/zinc/60/77/89/609607789.db2.gz KEJHEVYHBRKJTE-MRXNPFEDSA-N -1 3 369.469 3.231 20 0 FGADHM CC(=O)c1ccc(C(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)c(F)c1 ZINC000824024805 609618127 /nfs/dbraw/zinc/61/81/27/609618127.db2.gz QAPFQULYHDVYMB-UHFFFAOYSA-N -1 3 374.759 3.219 20 0 FGADHM CC(=O)c1ccc(C(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)c(F)c1 ZINC000824024805 609618129 /nfs/dbraw/zinc/61/81/29/609618129.db2.gz QAPFQULYHDVYMB-UHFFFAOYSA-N -1 3 374.759 3.219 20 0 FGADHM Cc1ccc(C(F)(F)C(=O)OCc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000826284536 609625874 /nfs/dbraw/zinc/62/58/74/609625874.db2.gz WXGSXQONXNHHEH-UHFFFAOYSA-N -1 3 362.311 3.149 20 0 FGADHM Cc1ccc(C(F)(F)C(=O)OCc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000826284536 609625875 /nfs/dbraw/zinc/62/58/75/609625875.db2.gz WXGSXQONXNHHEH-UHFFFAOYSA-N -1 3 362.311 3.149 20 0 FGADHM CCCCc1ccc(NC(=S)N[N-]C(=O)c2c(Cl)cnn2C)cc1 ZINC000006517095 695557714 /nfs/dbraw/zinc/55/77/14/695557714.db2.gz DMMHJCFYRGSVLA-UHFFFAOYSA-N -1 3 365.890 3.048 20 0 FGADHM CC(C)NC(=S)Nc1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000007517224 695570898 /nfs/dbraw/zinc/57/08/98/695570898.db2.gz ILYACNJXNXGSQA-UHFFFAOYSA-N -1 3 367.471 3.321 20 0 FGADHM O=C1[N-]C(=O)C(=CNc2c(F)c(F)c(F)c(F)c2F)c2ccccc21 ZINC000016720866 695631453 /nfs/dbraw/zinc/63/14/53/695631453.db2.gz FLJAIHVASNHRJX-VMPITWQZSA-N -1 3 354.234 3.105 20 0 FGADHM O=C(NC1CCCCCCC1)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000024548977 695668558 /nfs/dbraw/zinc/66/85/58/695668558.db2.gz NPSRVUQKXRZDBW-UHFFFAOYSA-N -1 3 368.474 3.109 20 0 FGADHM Cc1nc(C)c(CC(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)c(=O)[n-]1 ZINC000042358486 695780672 /nfs/dbraw/zinc/78/06/72/695780672.db2.gz STIFXCIMUDJBOS-UHFFFAOYSA-N -1 3 374.853 3.345 20 0 FGADHM C[C@@H](NC(=O)c1cc2c(cc1[O-])OCO2)c1ccc(OC(F)F)cc1 ZINC000052324756 695921504 /nfs/dbraw/zinc/92/15/04/695921504.db2.gz DXZWIIYXZZQTAX-SECBINFHSA-N -1 3 351.305 3.213 20 0 FGADHM CCC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1c(C)nn(C)c1Cl ZINC000069131181 695947611 /nfs/dbraw/zinc/94/76/11/695947611.db2.gz RIMCYMCLKOKRRA-CQSZACIVSA-N -1 3 355.891 3.072 20 0 FGADHM COc1cccc2cc(C(=O)Nc3ccccc3[N-]S(C)(=O)=O)oc21 ZINC000075635277 700216135 /nfs/dbraw/zinc/21/61/35/700216135.db2.gz ADUHZNVWNXFQLK-UHFFFAOYSA-N -1 3 360.391 3.065 20 0 FGADHM Cc1[nH]c(=S)sc1CC(=O)Nc1ccc(Br)cc1[O-] ZINC000075664655 700216408 /nfs/dbraw/zinc/21/64/08/700216408.db2.gz HVCKENHWAMHSED-UHFFFAOYSA-N -1 3 359.270 3.390 20 0 FGADHM C[C@@H](Cc1ccsc1)[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000081673262 700338877 /nfs/dbraw/zinc/33/88/77/700338877.db2.gz VIAIZDAFKRWUPN-QMMMGPOBSA-N -1 3 351.280 3.359 20 0 FGADHM CCCCc1ccc(N(C)C(=O)c2cc(S(=O)(=O)[N-]C)oc2C)cc1 ZINC000081841579 700341922 /nfs/dbraw/zinc/34/19/22/700341922.db2.gz VPPOLHTUOOTKSN-UHFFFAOYSA-N -1 3 364.467 3.115 20 0 FGADHM COc1cc(F)c([N-]S(=O)(=O)c2cccc3ncccc32)cc1OC ZINC000107067546 700513774 /nfs/dbraw/zinc/51/37/74/700513774.db2.gz OOVMNJRBQPXWDK-UHFFFAOYSA-N -1 3 362.382 3.192 20 0 FGADHM O=C([N-]c1nc(C2CC2)cs1)c1sccc1S(=O)(=O)C(F)F ZINC000108156762 700523648 /nfs/dbraw/zinc/52/36/48/700523648.db2.gz VZLBZEXVIVTXCA-UHFFFAOYSA-N -1 3 364.420 3.331 20 0 FGADHM CSc1cccc(NC(=O)CO[N-]C(=O)CCCc2ccccc2)c1 ZINC000112335370 700558568 /nfs/dbraw/zinc/55/85/68/700558568.db2.gz ZBILTGWIQYQCRF-UHFFFAOYSA-N -1 3 358.463 3.418 20 0 FGADHM O=S(=O)([N-]c1cnn(CC(F)(F)F)c1)C1=Cc2ccccc2CC1 ZINC000118301363 700609024 /nfs/dbraw/zinc/60/90/24/700609024.db2.gz WFAZRDOCEDUNLG-UHFFFAOYSA-N -1 3 357.357 3.174 20 0 FGADHM C[C@@](O)(C[N-]S(=O)(=O)c1cccc(Cl)c1Cl)c1ccccc1 ZINC000118960686 700616659 /nfs/dbraw/zinc/61/66/59/700616659.db2.gz ODJBSRPZROCFGA-OAHLLOKOSA-N -1 3 360.262 3.179 20 0 FGADHM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3cccc(-c4cn[nH]c4)c3)ccc2O1 ZINC000121093403 700665870 /nfs/dbraw/zinc/66/58/70/700665870.db2.gz JVXVKQRXFMCKOQ-LBPRGKRZSA-N -1 3 355.419 3.201 20 0 FGADHM CC(C)[C@H](OC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)c1ccccn1 ZINC000121906755 700682198 /nfs/dbraw/zinc/68/21/98/700682198.db2.gz JXCKXELVEIDMSR-INIZCTEOSA-N -1 3 366.414 3.146 20 0 FGADHM Cc1ncsc1-c1nc(CO[N-]C(=O)CCC2CCCCC2)no1 ZINC000131491239 700816013 /nfs/dbraw/zinc/81/60/13/700816013.db2.gz JOJOGAVCAFLAQF-UHFFFAOYSA-N -1 3 350.444 3.410 20 0 FGADHM COc1cc(C=Cc2nccc(=O)[n-]2)cc(Br)c1OC(F)F ZINC000131781508 700819589 /nfs/dbraw/zinc/81/95/89/700819589.db2.gz WKMJVWSKJANXNQ-NSCUHMNNSA-N -1 3 373.153 3.313 20 0 FGADHM Cc1noc(C)c1[C@H](C)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000151539387 704928058 /nfs/dbraw/zinc/92/80/58/704928058.db2.gz QPLWGDPYDFIIDV-QMMMGPOBSA-N -1 3 353.216 3.179 20 0 FGADHM C[C@@H](CC(=O)c1ccccc1)[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000151915612 704942303 /nfs/dbraw/zinc/94/23/03/704942303.db2.gz ACUOFNBNGYDAGT-JTQLQIEISA-N -1 3 373.261 3.328 20 0 FGADHM CC(C)c1csc(C[N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)n1 ZINC000154063578 705021186 /nfs/dbraw/zinc/02/11/86/705021186.db2.gz XSSQETNFCILZSP-UHFFFAOYSA-N -1 3 366.295 3.447 20 0 FGADHM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(N2CCOC[C@H]2C)cc1 ZINC000154538312 705037659 /nfs/dbraw/zinc/03/76/59/705037659.db2.gz STIUODVYGGAHQM-CQSZACIVSA-N -1 3 364.442 3.160 20 0 FGADHM O=S(=O)([N-]c1ccc(N2CCSCC2)cc1)c1ccc(F)cc1 ZINC000157844499 705165925 /nfs/dbraw/zinc/16/59/25/705165925.db2.gz QBYCHWWNRWMFPB-UHFFFAOYSA-N -1 3 352.456 3.180 20 0 FGADHM C[C@@H](C[C@@H](O)c1cccs1)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000158111043 705172802 /nfs/dbraw/zinc/17/28/02/705172802.db2.gz NZOGUDNDHQOPSI-DTWKUNHWSA-N -1 3 351.902 3.254 20 0 FGADHM Cc1cccc([C@H](C)C(=O)N[N-]C(=O)c2ccccc2Br)c1 ZINC000158355310 705183442 /nfs/dbraw/zinc/18/34/42/705183442.db2.gz QKENFWHRUYXKIV-LBPRGKRZSA-N -1 3 361.239 3.322 20 0 FGADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)[C@H]2COc3ccccc32)c(F)cc1F ZINC000167520587 705347844 /nfs/dbraw/zinc/34/78/44/705347844.db2.gz JQRGWTWLNRYFCV-WCQYABFASA-N -1 3 353.390 3.116 20 0 FGADHM CCS[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000175275867 705541183 /nfs/dbraw/zinc/54/11/83/705541183.db2.gz FPXYWDZLUIEHLS-DTWKUNHWSA-N -1 3 355.312 3.341 20 0 FGADHM CCCCN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C)c1)c1ccccc1 ZINC000176128356 705573234 /nfs/dbraw/zinc/57/32/34/705573234.db2.gz IPAPWYSSXPMGOS-UHFFFAOYSA-N -1 3 364.442 3.181 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2cccc(N(C)C)c2C)c(C)c1F ZINC000181353245 705788934 /nfs/dbraw/zinc/78/89/34/705788934.db2.gz AUVYKTGQYBCIKD-UHFFFAOYSA-N -1 3 352.431 3.318 20 0 FGADHM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1Cl ZINC000182019176 705822163 /nfs/dbraw/zinc/82/21/63/705822163.db2.gz JARCGUOTTGJEGV-UHFFFAOYSA-N -1 3 371.758 3.266 20 0 FGADHM CN(C)c1nc2sc(C([O-])=C(C#N)C(=O)Nc3ccccc3)cc2s1 ZINC000182746449 705859238 /nfs/dbraw/zinc/85/92/38/705859238.db2.gz GHHRLMJBVNORKW-LLVKDONJSA-N -1 3 370.459 3.385 20 0 FGADHM COc1ccc(N[C@H](C)c2ccc(Cl)nc2)cc1[N-]S(C)(=O)=O ZINC000182732743 705859264 /nfs/dbraw/zinc/85/92/64/705859264.db2.gz MOKYHQQIKHELQX-SNVBAGLBSA-N -1 3 355.847 3.288 20 0 FGADHM COc1ccc(N[C@@H](C)c2ccc(Cl)nc2)cc1[N-]S(C)(=O)=O ZINC000182732727 705859289 /nfs/dbraw/zinc/85/92/89/705859289.db2.gz MOKYHQQIKHELQX-JTQLQIEISA-N -1 3 355.847 3.288 20 0 FGADHM C[C@H]1CC(C(=O)NN=c2[n-]c(Br)cn3ccnc23)C[C@H](C)C1 ZINC000184140502 705919524 /nfs/dbraw/zinc/91/95/24/705919524.db2.gz YHJMPAALKUSGPZ-NXEZZACHSA-N -1 3 366.263 3.007 20 0 FGADHM COc1cc(C)c(Br)cc1NC([O-])=NO[C@@H]1CCCCO1 ZINC000185687890 712700195 /nfs/dbraw/zinc/70/01/95/712700195.db2.gz GNGSGTLZCCETPW-CYBMUJFWSA-N -1 3 359.220 3.346 20 0 FGADHM COc1cc(C)c(Br)cc1NC(=O)[N-]O[C@@H]1CCCCO1 ZINC000185687890 712700196 /nfs/dbraw/zinc/70/01/96/712700196.db2.gz GNGSGTLZCCETPW-CYBMUJFWSA-N -1 3 359.220 3.346 20 0 FGADHM O=C(c1cccc(O)c1[O-])N(CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000185870241 712703819 /nfs/dbraw/zinc/70/38/19/712703819.db2.gz JTPUELBQJRHZDN-UHFFFAOYSA-N -1 3 370.232 3.429 20 0 FGADHM COC1(C[N-]S(=O)(=O)c2ccc(Cl)nc2Cl)CCCCC1 ZINC000186276425 712713910 /nfs/dbraw/zinc/71/39/10/712713910.db2.gz GGOYMVVNGCUQGT-UHFFFAOYSA-N -1 3 353.271 3.016 20 0 FGADHM Cc1cc(Br)cc(NC(=O)NN=c2ccc(Cl)n[n-]2)c1 ZINC000187487748 712743848 /nfs/dbraw/zinc/74/38/48/712743848.db2.gz MIIMMVDOAPUTOF-UHFFFAOYSA-N -1 3 356.611 3.350 20 0 FGADHM O=C(NCC1(c2ccccc2Cl)CCOCC1)c1cccc(O)c1[O-] ZINC000188431625 712769527 /nfs/dbraw/zinc/76/95/27/712769527.db2.gz UBIQCTWIXNWZSA-UHFFFAOYSA-N -1 3 361.825 3.229 20 0 FGADHM COC(=O)c1ccc([N-]C(=O)c2nc(Br)cs2)c(F)c1 ZINC000188846072 712778750 /nfs/dbraw/zinc/77/87/50/712778750.db2.gz WYTSGMIIEBVNFP-UHFFFAOYSA-N -1 3 359.176 3.084 20 0 FGADHM Cc1cccc(C(=O)NNc2ccc([N+](=O)[O-])cc2Br)c1[O-] ZINC000189022930 712784264 /nfs/dbraw/zinc/78/42/64/712784264.db2.gz VCDWFNWTNCYAPW-UHFFFAOYSA-N -1 3 366.171 3.128 20 0 FGADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]CCc1csc2ccccc12 ZINC000193933421 713505222 /nfs/dbraw/zinc/50/52/22/713505222.db2.gz HQTFVDZWSPGGSL-UHFFFAOYSA-N -1 3 369.899 3.118 20 0 FGADHM C[C@]1(CS(=O)(=O)[N-]CC(=O)c2c(Cl)cccc2Cl)CC1(F)F ZINC000641602784 717913963 /nfs/dbraw/zinc/91/39/63/717913963.db2.gz WIBZNQIAIVQNBG-GFCCVEGCSA-N -1 3 372.220 3.141 20 0 FGADHM CCCn1cc([N-]S(=O)(=O)/C=C\c2ccc(Br)cc2)cn1 ZINC000254959873 713677890 /nfs/dbraw/zinc/67/78/90/713677890.db2.gz RBJHTLPZXYHZAR-CLFYSBASSA-N -1 3 370.272 3.468 20 0 FGADHM O=S(=O)(CCOCC1CC1)[N-]c1cccc(-c2nnsc2Cl)c1 ZINC000641696719 717922440 /nfs/dbraw/zinc/92/24/40/717922440.db2.gz YSZMABQYFKCSAP-UHFFFAOYSA-N -1 3 373.887 3.027 20 0 FGADHM CO[C@H](CS(=O)(=O)[N-]c1cccc(-c2nnsc2Cl)c1)C1CC1 ZINC000641695385 717922458 /nfs/dbraw/zinc/92/24/58/717922458.db2.gz KSQVMVWUVNDJJW-GFCCVEGCSA-N -1 3 373.887 3.025 20 0 FGADHM O=S(=O)([N-]CCC(F)(F)F)c1ccc(Br)c(Cl)c1 ZINC000443755923 714032380 /nfs/dbraw/zinc/03/23/80/714032380.db2.gz HUWJZDYWKIRKKC-UHFFFAOYSA-N -1 3 366.586 3.333 20 0 FGADHM O=S(=O)([N-]Cc1cccc(-n2ccnc2)c1)c1cccc(Cl)c1F ZINC000522372240 714185322 /nfs/dbraw/zinc/18/53/22/714185322.db2.gz YTTUETPACYXOSW-UHFFFAOYSA-N -1 3 365.817 3.143 20 0 FGADHM C[C@@H](CCc1ccccc1)[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC000522892590 714210774 /nfs/dbraw/zinc/21/07/74/714210774.db2.gz XKUDYQHLBNPBIL-LBPRGKRZSA-N -1 3 369.284 3.144 20 0 FGADHM CCc1nnc([N-]C(=O)c2csc(-c3ccc4c(c3)OCO4)n2)s1 ZINC000523229569 714223670 /nfs/dbraw/zinc/22/36/70/714223670.db2.gz RAFMCAAJOYIIDS-UHFFFAOYSA-N -1 3 360.420 3.205 20 0 FGADHM O=S(=O)([N-]Cc1nc(C(F)(F)F)cs1)c1ccc(Cl)cc1F ZINC000525388634 714349169 /nfs/dbraw/zinc/34/91/69/714349169.db2.gz 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Cc1ccc(Br)c(S(=O)(=O)[N-][C@@H]2CCCC2(F)F)c1 ZINC000672429991 721633620 /nfs/dbraw/zinc/63/36/20/721633620.db2.gz YFDSAXKSWBHLAA-LLVKDONJSA-N -1 3 354.216 3.224 20 0 FGADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)C[C@@H](OC)C3)c(C)c1 ZINC000783858765 724796798 /nfs/dbraw/zinc/79/67/98/724796798.db2.gz FDUXIGVLMZGQDW-SFHVURJKSA-N -1 3 361.463 3.226 20 0 FGADHM O=C(c1c([O-])cccc1O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC000678342908 721952935 /nfs/dbraw/zinc/95/29/35/721952935.db2.gz GUZDLYPUQWNQHT-HTQZYQBOSA-N -1 3 357.250 3.301 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]CCc2cn3cccc(C)c3n2)sc1Cl ZINC000682730163 722263740 /nfs/dbraw/zinc/26/37/40/722263740.db2.gz PNAGHRLCFKDLGU-UHFFFAOYSA-N -1 3 369.899 3.187 20 0 FGADHM O=S(=O)([N-]c1ccc(-c2nc[nH]n2)cc1F)c1ccc(F)c(Cl)c1 ZINC000684204188 722327046 /nfs/dbraw/zinc/32/70/46/722327046.db2.gz SKVHWWXPXXHNCG-UHFFFAOYSA-N -1 3 370.768 3.204 20 0 FGADHM Cc1c(S(=O)(=O)[N-]C(C)(C)C(F)F)cnn1-c1ccc(Cl)cc1 ZINC000684598082 722348801 /nfs/dbraw/zinc/34/88/01/722348801.db2.gz RJCXYBAVMNFYES-UHFFFAOYSA-N -1 3 363.817 3.156 20 0 FGADHM O=S(=O)([N-]C[C@H]1Cc2ccccc21)c1cccc(Br)c1F ZINC000684903397 722366945 /nfs/dbraw/zinc/36/69/45/722366945.db2.gz GDQZIYBINRPPKV-LLVKDONJSA-N -1 3 370.243 3.206 20 0 FGADHM O=S(=O)([N-]CCc1cc(F)cc(F)c1)c1ccc(Cl)nc1Cl ZINC000725829578 722424306 /nfs/dbraw/zinc/42/43/06/722424306.db2.gz AWMKBMHYDDDJRV-UHFFFAOYSA-N -1 3 367.204 3.188 20 0 FGADHM C[C@@H](OC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)c1ccccc1F ZINC000725994205 722427675 /nfs/dbraw/zinc/42/76/75/722427675.db2.gz WMNUGOWDWUPLFN-SNVBAGLBSA-N -1 3 355.362 3.254 20 0 FGADHM CS[C@@H](C[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)C(C)(C)C ZINC000784377460 724848192 /nfs/dbraw/zinc/84/81/92/724848192.db2.gz RVFYSNUONLACFZ-JTQLQIEISA-N -1 3 357.328 3.444 20 0 FGADHM CN(CC(C)(C)C)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000726923492 722439563 /nfs/dbraw/zinc/43/95/63/722439563.db2.gz ICQVPKRGSNKSSH-UHFFFAOYSA-N -1 3 358.479 3.021 20 0 FGADHM COc1ccc(NC=C2C(=O)[N-]C(=O)c3ccccc32)c(Br)c1 ZINC000727113560 722441479 /nfs/dbraw/zinc/44/14/79/722441479.db2.gz SBVXQCUMLNWSMJ-LCYFTJDESA-N -1 3 373.206 3.181 20 0 FGADHM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc4c(c3)OC(C)(C)O4)ccc2O1 ZINC000729963644 722463714 /nfs/dbraw/zinc/46/37/14/722463714.db2.gz NEFRHUWZPYSQLV-LLVKDONJSA-N -1 3 361.419 3.318 20 0 FGADHM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)cc1C ZINC000729965490 722463796 /nfs/dbraw/zinc/46/37/96/722463796.db2.gz WQWXURCTALKLMX-LBPRGKRZSA-N -1 3 360.435 3.078 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2c(F)cccc2-n2cccn2)c(C)c1 ZINC000730204509 722466093 /nfs/dbraw/zinc/46/60/93/722466093.db2.gz ZAWURWJOYKHTLX-UHFFFAOYSA-N -1 3 361.398 3.129 20 0 FGADHM O=C(COC(=O)c1cccc(Br)c1[O-])c1ccc(F)c(F)c1 ZINC000730363549 722467798 /nfs/dbraw/zinc/46/77/98/722467798.db2.gz BAOFEPUSFSJLTL-UHFFFAOYSA-N -1 3 371.133 3.473 20 0 FGADHM C[C@H](NC(=O)COC(=O)c1cncc([O-])c1)c1ccc(Cl)cc1Cl ZINC000731916236 722479325 /nfs/dbraw/zinc/47/93/25/722479325.db2.gz SOTBTKCWSYPYHW-VIFPVBQESA-N -1 3 369.204 3.128 20 0 FGADHM O=C(OCc1csc(COc2ccc(F)cc2)n1)c1cncc([O-])c1 ZINC000731915328 722479328 /nfs/dbraw/zinc/47/93/28/722479328.db2.gz GXLSZSBMKAWRAM-UHFFFAOYSA-N -1 3 360.366 3.319 20 0 FGADHM CCCCc1nc(COC(=O)c2ccc([N-]S(C)(=O)=O)cc2)cs1 ZINC000733407101 722496786 /nfs/dbraw/zinc/49/67/86/722496786.db2.gz JBOWPDJUNJPNDQ-UHFFFAOYSA-N -1 3 368.480 3.214 20 0 FGADHM Cc1ccc(OC[C@@H](C)[N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)cc1 ZINC000742284052 722554518 /nfs/dbraw/zinc/55/45/18/722554518.db2.gz PULJEEXFVFTJBK-LLVKDONJSA-N -1 3 359.369 3.158 20 0 FGADHM CCC(CC)(C[N-]S(=O)(=O)c1c(C)nn(C)c1Cl)c1ccccc1 ZINC000742340968 722555908 /nfs/dbraw/zinc/55/59/08/722555908.db2.gz JNLJBLBXDNTIOT-UHFFFAOYSA-N -1 3 369.918 3.418 20 0 FGADHM CCc1nc(CC(=O)Oc2cccc(-c3nc(C)cc(=O)[n-]3)c2)cs1 ZINC000744218803 722574675 /nfs/dbraw/zinc/57/46/75/722574675.db2.gz SHXSYHBCMZUMJA-UHFFFAOYSA-N -1 3 355.419 3.325 20 0 FGADHM Cc1ccc(SCCOC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)cc1C ZINC000744966699 722581960 /nfs/dbraw/zinc/58/19/60/722581960.db2.gz GBVFMZBBROADPK-UHFFFAOYSA-N -1 3 355.415 3.136 20 0 FGADHM CC(C)C[C@H]([N-]S(=O)(=O)/C=C/c1ccc(F)cc1)C(=O)OC(C)C ZINC000747271883 722641440 /nfs/dbraw/zinc/64/14/40/722641440.db2.gz XSSLBFCWWGXIDX-SCOAYWHSSA-N -1 3 357.447 3.082 20 0 FGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(N2CCCC2)c(F)c1 ZINC000747364102 722644591 /nfs/dbraw/zinc/64/45/91/722644591.db2.gz MUXYBCXQJIWZIT-UHFFFAOYSA-N -1 3 362.430 3.204 20 0 FGADHM CN(C)Cc1ccnc([N-]S(=O)(=O)/C=C/c2ccc(Cl)cc2)c1 ZINC000749011326 722712613 /nfs/dbraw/zinc/71/26/13/722712613.db2.gz VEUMELTZQDTFRW-CSKARUKUSA-N -1 3 351.859 3.209 20 0 FGADHM Cc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)c(Cl)c2)c([O-])c1 ZINC000749135313 722717169 /nfs/dbraw/zinc/71/71/69/722717169.db2.gz XCXDNTCANMAIEF-UHFFFAOYSA-N -1 3 359.857 3.358 20 0 FGADHM CCCC[C@@H](CCC)[N-]S(=O)(=O)c1ccc(F)c(C(=O)OC)c1F ZINC000749182744 722719182 /nfs/dbraw/zinc/71/91/82/722719182.db2.gz IPIUAOKSUPVTKK-LLVKDONJSA-N -1 3 363.426 3.389 20 0 FGADHM O=C([N-]C[C@H](c1ccccc1Cl)N1CCCC1)C(F)(F)C(F)F ZINC000749334976 722725001 /nfs/dbraw/zinc/72/50/01/722725001.db2.gz LCWBFXGKMLOOIU-GFCCVEGCSA-N -1 3 352.759 3.494 20 0 FGADHM Cc1cc(Br)ncc1NC(=O)c1nnc2ccccc2c1[O-] ZINC000749407294 722727876 /nfs/dbraw/zinc/72/78/76/722727876.db2.gz GXLZNCRKBCFONE-UHFFFAOYSA-N -1 3 359.183 3.054 20 0 FGADHM Cc1cc(Br)ncc1NC(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC000749414655 722728439 /nfs/dbraw/zinc/72/84/39/722728439.db2.gz WYECMLSHLOVAMB-UHFFFAOYSA-N -1 3 365.231 3.332 20 0 FGADHM C[C@@H](Cc1cccc(O)c1)[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000751249306 722799559 /nfs/dbraw/zinc/79/95/59/722799559.db2.gz PHWTZCSYQIDJKK-VIFPVBQESA-N -1 3 361.250 3.004 20 0 FGADHM Cc1ccccc1[C@H](O)C[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000751405154 722804493 /nfs/dbraw/zinc/80/44/93/722804493.db2.gz JSIZCQMEVOMCAC-MRXNPFEDSA-N -1 3 374.487 3.130 20 0 FGADHM Cc1ccccc1[C@H](O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000751406912 722804499 /nfs/dbraw/zinc/80/44/99/722804499.db2.gz PMJQJMHVVVIASJ-CQSZACIVSA-N -1 3 360.262 3.314 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)[C@@H](O)c1ccc(F)cc1 ZINC000751406202 722804563 /nfs/dbraw/zinc/80/45/63/722804563.db2.gz RVUNLRCAEQBRHE-RFAUZJTJSA-N -1 3 361.797 3.019 20 0 FGADHM CC(C)(C)c1ccc([C@@H](O)C[N-]S(=O)(=O)c2cccnc2Cl)cc1 ZINC000751420478 722805104 /nfs/dbraw/zinc/80/51/04/722805104.db2.gz RVCDGKUONXPPGA-AWEZNQCLSA-N -1 3 368.886 3.044 20 0 FGADHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]C1CC(C)C1 ZINC000751973539 722838783 /nfs/dbraw/zinc/83/87/83/722838783.db2.gz NAZUWGOYNYIXTD-UHFFFAOYSA-N -1 3 368.680 3.188 20 0 FGADHM COC(=O)c1[n-]cnc1NC(=O)c1ccc(C2SCCCS2)cc1 ZINC000752973443 722879560 /nfs/dbraw/zinc/87/95/60/722879560.db2.gz HNGUXECOIGKVSQ-UHFFFAOYSA-N -1 3 363.464 3.317 20 0 FGADHM COC(=O)c1nc[n-]c1NC(=O)c1ccc(C2SCCCS2)cc1 ZINC000752973443 722879563 /nfs/dbraw/zinc/87/95/63/722879563.db2.gz HNGUXECOIGKVSQ-UHFFFAOYSA-N -1 3 363.464 3.317 20 0 FGADHM C[C@H](NC(=O)NCc1ccc([O-])c(F)c1)[C@H](O)c1c(F)cccc1Cl ZINC000752999357 722880522 /nfs/dbraw/zinc/88/05/22/722880522.db2.gz NLCCBDQQMBIAOG-FVMDXXJSSA-N -1 3 370.783 3.245 20 0 FGADHM COc1cc(C(=O)OCc2cccc(OC(F)F)c2)cc(OC)c1[O-] ZINC000754278417 722933370 /nfs/dbraw/zinc/93/33/70/722933370.db2.gz FWCHZVDCCGTKBG-UHFFFAOYSA-N -1 3 354.305 3.368 20 0 FGADHM Cc1sc2[n-]c([C@H](C)OC(=O)C=Cc3ccncn3)nc(=O)c2c1C ZINC000754935274 722948070 /nfs/dbraw/zinc/94/80/70/722948070.db2.gz ILRKHVKLJNXJJI-LWTINBJPSA-N -1 3 356.407 3.121 20 0 FGADHM CC(C)(C)OC(=O)C1([N-]C(=O)C(F)(F)c2nccs2)CCCCC1 ZINC000756526520 722966212 /nfs/dbraw/zinc/96/62/12/722966212.db2.gz GUFOHAHYDCKNJD-UHFFFAOYSA-N -1 3 360.426 3.396 20 0 FGADHM COc1ccc(C[N-]C(=O)C(F)(F)c2c(F)cccc2F)c(OC)c1 ZINC000756916355 722971847 /nfs/dbraw/zinc/97/18/47/722971847.db2.gz DDSCTSJXNRXTMR-UHFFFAOYSA-N -1 3 357.303 3.390 20 0 FGADHM COC(=O)c1cccc(C[N-]C(=O)C(F)(F)c2c(F)cccc2F)c1 ZINC000757053941 722973771 /nfs/dbraw/zinc/97/37/71/722973771.db2.gz NYFDIFRYOAGLJL-UHFFFAOYSA-N -1 3 355.287 3.160 20 0 FGADHM Cc1cccc(Cl)c1NC(=O)COC(=O)c1cc(-c2ccco2)[n-]n1 ZINC000757686568 722978322 /nfs/dbraw/zinc/97/83/22/722978322.db2.gz HYWPLHJNNGUEMV-UHFFFAOYSA-N -1 3 359.769 3.427 20 0 FGADHM Cc1cccc(Cl)c1NC(=O)COC(=O)c1cc(-c2ccco2)n[n-]1 ZINC000757686568 722978323 /nfs/dbraw/zinc/97/83/23/722978323.db2.gz HYWPLHJNNGUEMV-UHFFFAOYSA-N -1 3 359.769 3.427 20 0 FGADHM O=C(OCCOCC1CC1)c1n[n-]c(-c2ccccc2)c1Br ZINC000757726979 722978962 /nfs/dbraw/zinc/97/89/62/722978962.db2.gz QUUZBMSHRRPHMI-UHFFFAOYSA-N -1 3 365.227 3.423 20 0 FGADHM O=S(=O)([N-][C@@H]1CCO[C@H](c2ccc(F)cc2)C1)c1cccnc1Cl ZINC000758604857 722992296 /nfs/dbraw/zinc/99/22/96/722992296.db2.gz BZOLHJFBWINSRH-KGLIPLIRSA-N -1 3 370.833 3.073 20 0 FGADHM O=C(COC(=O)c1cccc2nn[n-]c21)Nc1ccc(Cl)c(Cl)c1 ZINC000790075209 723103086 /nfs/dbraw/zinc/10/30/86/723103086.db2.gz KLPMDMXGHBNJLX-UHFFFAOYSA-N -1 3 365.176 3.060 20 0 FGADHM 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/nfs/dbraw/zinc/11/25/69/727112569.db2.gz QZAWZBMQOHWVIW-VIFPVBQESA-N -1 3 361.785 3.259 20 0 FGADHM C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(Cc2c(F)ccc([O-])c2F)C1 ZINC000816564863 727176501 /nfs/dbraw/zinc/17/65/01/727176501.db2.gz SOQKVQNEQMJRNJ-NEPJUHHUSA-N -1 3 356.413 3.406 20 0 FGADHM CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1CNCc1c(F)ccc([O-])c1F ZINC000816617020 727181152 /nfs/dbraw/zinc/18/11/52/727181152.db2.gz MDUDSZIOUZOFRY-QWRGUYRKSA-N -1 3 360.376 3.108 20 0 FGADHM C=C=CCNC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000816700461 727189535 /nfs/dbraw/zinc/18/95/35/727189535.db2.gz FWMXZEAPNRZTQT-UHFFFAOYSA-N -1 3 353.603 3.015 20 0 FGADHM CN1CC[C@H](NC(=O)c2ccc3oc(=S)[n-]c3c2)[C@H]1c1ccccc1 ZINC000816955457 727209875 /nfs/dbraw/zinc/20/98/75/727209875.db2.gz CWXFVDWRRSZEDY-WMLDXEAASA-N -1 3 353.447 3.292 20 0 FGADHM CC(C)(CS(C)(=O)=O)[N-]C(=O)C(F)(F)c1cc(Cl)ccc1Cl ZINC000817444436 727252613 /nfs/dbraw/zinc/25/26/13/727252613.db2.gz CZPPOZNOTFBLIW-UHFFFAOYSA-N -1 3 374.236 3.025 20 0 FGADHM C[C@@H](OC(=O)c1cc2ccsc2[n-]1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000817708176 727278293 /nfs/dbraw/zinc/27/82/93/727278293.db2.gz VICFBCLTZFHXDN-SECBINFHSA-N -1 3 358.375 3.142 20 0 FGADHM COC(=O)c1cnc([C@H](C)[N-]C(=O)C(F)(F)c2ccc(C)cc2)s1 ZINC000819635767 727385765 /nfs/dbraw/zinc/38/57/65/727385765.db2.gz ZBJCVEXQIMROQB-JTQLQIEISA-N -1 3 354.378 3.207 20 0 FGADHM COc1ncc(S(=O)(=O)[N-][C@H](C)c2cccc(C(F)(F)F)c2)s1 ZINC000820773746 729028319 /nfs/dbraw/zinc/02/83/19/729028319.db2.gz GUKZCFCMWHGPFV-MRVPVSSYSA-N -1 3 366.386 3.210 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2cnc(Cl)cc2Cl)cc1F ZINC000820799219 729032356 /nfs/dbraw/zinc/03/23/56/729032356.db2.gz FOXOUYCAIZYQNO-UHFFFAOYSA-N -1 3 351.186 3.337 20 0 FGADHM COc1cccc(S([O-])=CC(=O)OC[C@H]2CCC3(CCCCC3)O2)c1 ZINC000821352784 729079700 /nfs/dbraw/zinc/07/97/00/729079700.db2.gz OHUCVNNMIPPBMV-PUAOIOHZSA-N -1 3 366.479 3.228 20 0 FGADHM COC(=O)c1ccc(CSCc2cc(-c3nnn[n-]3)ccc2F)s1 ZINC000821669353 729105873 /nfs/dbraw/zinc/10/58/73/729105873.db2.gz HUBJJQODDFMZAA-UHFFFAOYSA-N -1 3 364.427 3.287 20 0 FGADHM COC(=O)c1ccc(CSCc2cc(-c3nn[n-]n3)ccc2F)s1 ZINC000821669353 729105876 /nfs/dbraw/zinc/10/58/76/729105876.db2.gz HUBJJQODDFMZAA-UHFFFAOYSA-N -1 3 364.427 3.287 20 0 FGADHM O=C(c1c[n-]c2cc(F)c(F)cc2c1=O)N1CCC[C@@]2(CCSC2)C1 ZINC000822006758 729138738 /nfs/dbraw/zinc/13/87/38/729138738.db2.gz UHTJNCWRCNXIOS-GOSISDBHSA-N -1 3 364.417 3.166 20 0 FGADHM O=C(c1c[n-]c2cc(F)c(F)cc2c1=O)N1CCSC2(CCC2)CC1 ZINC000822605465 729200148 /nfs/dbraw/zinc/20/01/48/729200148.db2.gz OCZJLWKIKNJPSC-UHFFFAOYSA-N -1 3 364.417 3.308 20 0 FGADHM O=[S@](Cc1coc(-c2cccs2)n1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000823614966 729292567 /nfs/dbraw/zinc/29/25/67/729292567.db2.gz VTMNWZLWFPFWRN-VWLOTQADSA-N -1 3 371.447 3.032 20 0 FGADHM O=[S@](Cc1coc(-c2cccs2)n1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000823614966 729292570 /nfs/dbraw/zinc/29/25/70/729292570.db2.gz VTMNWZLWFPFWRN-VWLOTQADSA-N -1 3 371.447 3.032 20 0 FGADHM CC(C)(C)c1nc(CSc2cccc(Cl)c2-c2nnn[n-]2)no1 ZINC000824142431 729321197 /nfs/dbraw/zinc/32/11/97/729321197.db2.gz SJBAXYRAJHPGCC-UHFFFAOYSA-N -1 3 350.835 3.493 20 0 FGADHM CC(C)(C)c1nc(CSc2cccc(Cl)c2-c2nn[n-]n2)no1 ZINC000824142431 729321199 /nfs/dbraw/zinc/32/11/99/729321199.db2.gz SJBAXYRAJHPGCC-UHFFFAOYSA-N -1 3 350.835 3.493 20 0 FGADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)c2ccc(SC(F)(F)F)o2)n1 ZINC000824151247 729321693 /nfs/dbraw/zinc/32/16/93/729321693.db2.gz WTBYEGYGHKUVHJ-UHFFFAOYSA-N -1 3 361.345 3.361 20 0 FGADHM C[C@@H](Sc1ccc(N)cc1Cl)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000824753612 729357732 /nfs/dbraw/zinc/35/77/32/729357732.db2.gz FNUNNPFEMGLBKW-SECBINFHSA-N -1 3 374.857 3.222 20 0 FGADHM C[C@@H](Sc1ccc(N)cc1Cl)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000824753612 729357734 /nfs/dbraw/zinc/35/77/34/729357734.db2.gz FNUNNPFEMGLBKW-SECBINFHSA-N -1 3 374.857 3.222 20 0 FGADHM CCC1(CNc2ccc(Br)cc2-c2nnn[n-]2)CCOCC1 ZINC000825170557 729373639 /nfs/dbraw/zinc/37/36/39/729373639.db2.gz BUWWBCONIQMPLT-UHFFFAOYSA-N -1 3 366.263 3.248 20 0 FGADHM CCC1(CNc2ccc(Br)cc2-c2nn[n-]n2)CCOCC1 ZINC000825170557 729373641 /nfs/dbraw/zinc/37/36/41/729373641.db2.gz BUWWBCONIQMPLT-UHFFFAOYSA-N -1 3 366.263 3.248 20 0 FGADHM CCC/C=C\C(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000825260824 729376087 /nfs/dbraw/zinc/37/60/87/729376087.db2.gz RQZJUSZJQQMOGP-PLNGDYQASA-N -1 3 357.805 3.001 20 0 FGADHM CCC/C=C\C(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000825260824 729376089 /nfs/dbraw/zinc/37/60/89/729376089.db2.gz RQZJUSZJQQMOGP-PLNGDYQASA-N -1 3 357.805 3.001 20 0 FGADHM Cc1ccc([O-])c(CN[C@H](CCNC(=O)OC(C)(C)C)C(F)(F)F)n1 ZINC000825269102 729376245 /nfs/dbraw/zinc/37/62/45/729376245.db2.gz DEFQHAVKIAMLTM-CYBMUJFWSA-N -1 3 363.380 3.031 20 0 FGADHM CCCc1cnc(NC(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000825348666 729379937 /nfs/dbraw/zinc/37/99/37/729379937.db2.gz VNXUJSPYMSVYRS-SNVBAGLBSA-N -1 3 357.443 3.158 20 0 FGADHM CCCc1cnc(NC(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000825348666 729379940 /nfs/dbraw/zinc/37/99/40/729379940.db2.gz VNXUJSPYMSVYRS-SNVBAGLBSA-N -1 3 357.443 3.158 20 0 FGADHM O=C(CCC(=O)Nc1c(F)cccc1F)[N-]OCCCC(F)(F)F ZINC000825361672 729380203 /nfs/dbraw/zinc/38/02/03/729380203.db2.gz UOKOGENSSPUNRH-UHFFFAOYSA-N -1 3 354.275 3.074 20 0 FGADHM O=C(CC1CCN(CC(F)(F)F)CC1)[N-]OCCCC(F)(F)F ZINC000825361899 729380227 /nfs/dbraw/zinc/38/02/27/729380227.db2.gz WXLAJUOOCUKGLO-UHFFFAOYSA-N -1 3 350.303 3.041 20 0 FGADHM CCS[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000825668295 729390909 /nfs/dbraw/zinc/39/09/09/729390909.db2.gz DFQPFRIZLBIVRJ-UONOGXRCSA-N -1 3 365.890 3.314 20 0 FGADHM CCS[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000825668295 729390911 /nfs/dbraw/zinc/39/09/11/729390911.db2.gz DFQPFRIZLBIVRJ-UONOGXRCSA-N -1 3 365.890 3.314 20 0 FGADHM CN(Cc1ccsc1)c1ccc(Br)cc1-c1nnn[n-]1 ZINC000825986127 729401622 /nfs/dbraw/zinc/40/16/22/729401622.db2.gz PMAFZGATPKJHST-UHFFFAOYSA-N -1 3 350.245 3.327 20 0 FGADHM CN(Cc1ccsc1)c1ccc(Br)cc1-c1nn[n-]n1 ZINC000825986127 729401623 /nfs/dbraw/zinc/40/16/23/729401623.db2.gz PMAFZGATPKJHST-UHFFFAOYSA-N -1 3 350.245 3.327 20 0 FGADHM Cc1c(Cl)cnc(NC[C@@H](O)c2cccc(Cl)c2)c1-c1nnn[n-]1 ZINC000826239817 729406681 /nfs/dbraw/zinc/40/66/81/729406681.db2.gz QVOXEGBMMQHTBO-GFCCVEGCSA-N -1 3 365.224 3.022 20 0 FGADHM Cc1c(Cl)cnc(NC[C@@H](O)c2cccc(Cl)c2)c1-c1nn[n-]n1 ZINC000826239817 729406682 /nfs/dbraw/zinc/40/66/82/729406682.db2.gz QVOXEGBMMQHTBO-GFCCVEGCSA-N -1 3 365.224 3.022 20 0 FGADHM Clc1ccc(COCCNc2ncccc2-c2nnn[n-]2)c(Cl)c1 ZINC000826351857 729407323 /nfs/dbraw/zinc/40/73/23/729407323.db2.gz DKIVLTRULKUMNU-UHFFFAOYSA-N -1 3 365.224 3.197 20 0 FGADHM Clc1ccc(COCCNc2ncccc2-c2nn[n-]n2)c(Cl)c1 ZINC000826351857 729407324 /nfs/dbraw/zinc/40/73/24/729407324.db2.gz DKIVLTRULKUMNU-UHFFFAOYSA-N -1 3 365.224 3.197 20 0 FGADHM Cc1nscc1C(=O)Nc1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000826340320 729407460 /nfs/dbraw/zinc/40/74/60/729407460.db2.gz SFIHENVAWLPTGL-UHFFFAOYSA-N -1 3 369.435 3.007 20 0 FGADHM Cc1nscc1C(=O)Nc1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000826340320 729407461 /nfs/dbraw/zinc/40/74/61/729407461.db2.gz SFIHENVAWLPTGL-UHFFFAOYSA-N -1 3 369.435 3.007 20 0 FGADHM Cc1ccc(C2(NC(=O)NCc3nc(C(F)(F)F)n[n-]3)CCC2)cc1 ZINC000826946111 729419808 /nfs/dbraw/zinc/41/98/08/729419808.db2.gz JSWZLKLDMYUATL-UHFFFAOYSA-N -1 3 353.348 3.011 20 0 FGADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OC3CC3)cc2)cc1OC ZINC000829668833 729500966 /nfs/dbraw/zinc/50/09/66/729500966.db2.gz UBZXINGQRCXJBL-UHFFFAOYSA-N -1 3 363.435 3.436 20 0 FGADHM Cc1c([N-]S(=O)(=O)/C=C/c2ccccc2F)cnn1C1CCOCC1 ZINC000830028114 729531356 /nfs/dbraw/zinc/53/13/56/729531356.db2.gz FEGJHCJZROAXOD-DHZHZOJOSA-N -1 3 365.430 3.095 20 0 FGADHM CCOc1ccc(-c2nc(CNC(C)(C)C(=O)[O-])cs2)cc1OC ZINC000830053919 729533489 /nfs/dbraw/zinc/53/34/89/729533489.db2.gz DDSZKFNHNNTCQT-UHFFFAOYSA-N -1 3 350.440 3.170 20 0 FGADHM CSC(C)(C)C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000830141449 729539341 /nfs/dbraw/zinc/53/93/41/729539341.db2.gz UDFGWYMRAMSOOF-UHFFFAOYSA-N -1 3 370.902 3.364 20 0 FGADHM CCC(F)(F)C(=O)[N-][C@@H](CC(=O)OC)c1ccc(C(F)(F)F)cc1 ZINC000831799769 729668563 /nfs/dbraw/zinc/66/85/63/729668563.db2.gz MOBCUAOSXBQDDT-NSHDSACASA-N -1 3 353.287 3.471 20 0 FGADHM CC[C@@H]1CN(CC)CCN1Cc1cc(=O)oc2cc([O-])c(Cl)cc12 ZINC000831971965 729679248 /nfs/dbraw/zinc/67/92/48/729679248.db2.gz YRMUEQXGQDEPLW-CYBMUJFWSA-N -1 3 350.846 3.068 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]CCC[C@@H]2CCCN2C(=O)OC(C)(C)C)o1 ZINC000832410636 729711995 /nfs/dbraw/zinc/71/19/95/729711995.db2.gz PKOWUKROBPNELO-CQSZACIVSA-N -1 3 372.487 3.046 20 0 FGADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1cnn(C(CC)CC)c1CC ZINC000836557895 729960277 /nfs/dbraw/zinc/96/02/77/729960277.db2.gz LIYZYIMGCPGTQO-UHFFFAOYSA-N -1 3 354.451 3.201 20 0 FGADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1cnn(C(CC)CC)c1CC ZINC000836557895 729960278 /nfs/dbraw/zinc/96/02/78/729960278.db2.gz LIYZYIMGCPGTQO-UHFFFAOYSA-N -1 3 354.451 3.201 20 0 FGADHM O=C([N-]CC1CCN(C(=O)NCC2CCCCCC2)CC1)C(F)(F)F ZINC000836596607 729961945 /nfs/dbraw/zinc/96/19/45/729961945.db2.gz KRBZMESFZBVWGI-UHFFFAOYSA-N -1 3 363.424 3.057 20 0 FGADHM Cc1nc(NC(=O)[N-]OCC(C)(C)O)sc1Cc1ccc(F)cc1 ZINC000836618395 729962696 /nfs/dbraw/zinc/96/26/96/729962696.db2.gz ICVHGWJXMJFHGG-UHFFFAOYSA-N -1 3 353.419 3.005 20 0 FGADHM CC[C@@H](NC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1)C1CCCC1 ZINC000836644523 729963688 /nfs/dbraw/zinc/96/36/88/729963688.db2.gz NMICGFZKDPQFGM-GXTWGEPZSA-N -1 3 363.424 3.055 20 0 FGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)NC(C)(C)C2CCC2)ccc1F ZINC000836846584 729972025 /nfs/dbraw/zinc/97/20/25/729972025.db2.gz WCYFKGPEKFGGBT-UHFFFAOYSA-N -1 3 370.490 3.211 20 0 FGADHM CC(C)[C@@H](CO)O[N-]C(=O)CCCC(=O)c1ccc(Cl)c(Cl)c1 ZINC000836890144 729973189 /nfs/dbraw/zinc/97/31/89/729973189.db2.gz HBBFQUOTQOQFHV-OAHLLOKOSA-N -1 3 362.253 3.411 20 0 FGADHM O=C(Cc1coc(-c2cccs2)n1)OCc1cc(=O)[n-]c(C2CC2)n1 ZINC000837507939 730036433 /nfs/dbraw/zinc/03/64/33/730036433.db2.gz HDOAHCXHOLNVIV-UHFFFAOYSA-N -1 3 357.391 3.062 20 0 FGADHM [O-]C(=NOCC(F)F)Nc1nnc(COc2ccc(Cl)cc2)s1 ZINC000841740960 730269666 /nfs/dbraw/zinc/26/96/66/730269666.db2.gz VYJGGDVVMQBHKR-UHFFFAOYSA-N -1 3 364.761 3.089 20 0 FGADHM O=C([N-]OCC(F)F)Nc1nnc(COc2ccc(Cl)cc2)s1 ZINC000841740960 730269669 /nfs/dbraw/zinc/26/96/69/730269669.db2.gz VYJGGDVVMQBHKR-UHFFFAOYSA-N -1 3 364.761 3.089 20 0 FGADHM O=c1cc(CN2CCC3(CC2)C(F)(F)C3(F)F)c2ccc([O-])cc2o1 ZINC000844382482 730710687 /nfs/dbraw/zinc/71/06/87/730710687.db2.gz FMPUAXKHJQUUBD-UHFFFAOYSA-N -1 3 357.303 3.365 20 0 FGADHM Cc1cc(C(=O)COC(=O)c2ccc(N)c(Cl)c2[O-])c(C)n1C1CC1 ZINC000845193359 730818177 /nfs/dbraw/zinc/81/81/77/730818177.db2.gz PTFKJBWTJNMVIB-UHFFFAOYSA-N -1 3 362.813 3.421 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)[C@](C)(O)c1ccccc1 ZINC000845980710 730915100 /nfs/dbraw/zinc/91/51/00/730915100.db2.gz QOZGXQXKRMIJEE-ZBEGNZNMSA-N -1 3 357.834 3.054 20 0 FGADHM O=C([O-])[C@@H](c1cccc(Br)c1)N1CCC(c2cn[nH]c2)CC1 ZINC000846239144 730938998 /nfs/dbraw/zinc/93/89/98/730938998.db2.gz GLGFUSNHRQPUCJ-OAHLLOKOSA-N -1 3 364.243 3.178 20 0 FGADHM CO[C@H](CS(=O)(=O)[N-]c1cccc(-c2cnco2)c1)C1CCCC1 ZINC000849304672 731245307 /nfs/dbraw/zinc/24/53/07/731245307.db2.gz USOYJZGKDXQLEZ-QGZVFWFLSA-N -1 3 350.440 3.289 20 0 FGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2COC3(CCC3)C2)c1Cl ZINC000849450127 731260604 /nfs/dbraw/zinc/26/06/04/731260604.db2.gz VVRZVWZLCHQWGY-SNVBAGLBSA-N -1 3 350.267 3.292 20 0 FGADHM O=c1[n-]c(SCCCCCCO)nc2c1cnn2Cc1ccccc1 ZINC000850003350 731308541 /nfs/dbraw/zinc/30/85/41/731308541.db2.gz ZOYKAEAPVSNLEJ-UHFFFAOYSA-N -1 3 358.467 3.225 20 0 FGADHM O=C([O-])[C@@H](c1ccccc1Br)N1CCC(c2cn[nH]c2)CC1 ZINC000851705913 731484407 /nfs/dbraw/zinc/48/44/07/731484407.db2.gz YRSCYUNOVOCUHR-OAHLLOKOSA-N -1 3 364.243 3.178 20 0 FGADHM Cc1ncc(S(=O)(=O)[N-][C@H](C(C)C)[C@H](O)c2ccc(Cl)cc2)s1 ZINC000851863649 731511341 /nfs/dbraw/zinc/51/13/41/731511341.db2.gz PNKWBSYOKKWTBO-HUUCEWRRSA-N -1 3 374.915 3.141 20 0 FGADHM C[C@@H]1CCN(CCc2nsc3ccccc32)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000852756503 731630772 /nfs/dbraw/zinc/63/07/72/731630772.db2.gz LGOCXGCVUFFCAD-RISCZKNCSA-N -1 3 371.428 3.228 20 0 FGADHM C[C@@H]([N-]C(=O)C(F)(F)c1ccc(Br)cc1)c1ccn(C)n1 ZINC000854916291 731875791 /nfs/dbraw/zinc/87/57/91/731875791.db2.gz AAYUYPDGMSIPEI-SECBINFHSA-N -1 3 358.186 3.152 20 0 FGADHM CC[C@H](C)N(CC)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000855148761 731901745 /nfs/dbraw/zinc/90/17/45/731901745.db2.gz MAZICUMXFLZPAA-LBPRGKRZSA-N -1 3 358.479 3.163 20 0 FGADHM O=C([N-]CCO[C@H]1CC1(F)F)C(F)(F)c1ccccc1Br ZINC000855607584 731941047 /nfs/dbraw/zinc/94/10/47/731941047.db2.gz HCRLYTOUEZDLTG-JTQLQIEISA-N -1 3 370.140 3.081 20 0 FGADHM COC(=O)CCCCCCNC(=O)c1cc([O-])cc(Br)c1 ZINC000858316333 732202773 /nfs/dbraw/zinc/20/27/73/732202773.db2.gz SPRPCVNWQGTRPC-UHFFFAOYSA-N -1 3 358.232 3.008 20 0 FGADHM O=C([O-])[C@@H]1CC12CCN(Cc1ccc(OCC(F)(F)F)c(F)c1)CC2 ZINC000859808949 732397245 /nfs/dbraw/zinc/39/72/45/732397245.db2.gz 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732974067 /nfs/dbraw/zinc/97/40/67/732974067.db2.gz IGWHZGDTHYNGID-UHFFFAOYSA-N -1 3 354.328 3.036 20 0 FGADHM C[C@H](CO[N-]C(=O)CC1CCC(F)(F)CC1)NC(=O)OC(C)(C)C ZINC000863902711 733014257 /nfs/dbraw/zinc/01/42/57/733014257.db2.gz UTPIFVZPLZDQGN-LLVKDONJSA-N -1 3 350.406 3.163 20 0 FGADHM Cc1ccccc1C[C@@H](CNCc1cccnc1Br)C(=O)[O-] ZINC000864505445 733068585 /nfs/dbraw/zinc/06/85/85/733068585.db2.gz LIYQIEHETBKZKJ-HNNXBMFYSA-N -1 3 363.255 3.186 20 0 FGADHM COc1cccc(C[C@H](CNCc2nc(C(C)(C)C)cs2)C(=O)[O-])c1 ZINC000864514146 733070371 /nfs/dbraw/zinc/07/03/71/733070371.db2.gz OOYLRBSAUSDQHP-CQSZACIVSA-N -1 3 362.495 3.482 20 0 FGADHM CC(C)OC[C@H](NCc1cc(Br)ccc1Cl)C(=O)[O-] ZINC000864517263 733071256 /nfs/dbraw/zinc/07/12/56/733071256.db2.gz BTCVRIGONMXFFD-LBPRGKRZSA-N -1 3 350.640 3.070 20 0 FGADHM CC(C)[C@H]1CN(S(=O)(=O)c2nc[n-]c2Br)c2ccccc21 ZINC000867201125 733452995 /nfs/dbraw/zinc/45/29/95/733452995.db2.gz ZUBVKMGQFOODGY-LLVKDONJSA-N -1 3 370.272 3.121 20 0 FGADHM O=C(C=Cc1ccsc1C(F)(F)F)NCc1nc(C(F)(F)F)n[n-]1 ZINC000867507171 733490150 /nfs/dbraw/zinc/49/01/50/733490150.db2.gz KOELLPZDLNBGLW-UPHRSURJSA-N -1 3 370.278 3.233 20 0 FGADHM COc1c(F)cccc1S(=O)(=O)[N-][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000867848364 733524062 /nfs/dbraw/zinc/52/40/62/733524062.db2.gz HJMKJKJNZXZVCA-MWLCHTKSSA-N -1 3 353.337 3.010 20 0 FGADHM CC1(C(=O)N2C[C@@H](CC[N-]C(=O)C(F)(F)F)c3ccccc32)CCC1 ZINC000871316759 733932062 /nfs/dbraw/zinc/93/20/62/733932062.db2.gz YHQFETNDLYVQGL-GFCCVEGCSA-N -1 3 354.372 3.376 20 0 FGADHM O=c1[n-]nc(SCc2nc3c(o2)CCCC3)n1CCc1ccccc1 ZINC000871639238 733954807 /nfs/dbraw/zinc/95/48/07/733954807.db2.gz XXLMZGICSYFNNG-UHFFFAOYSA-N -1 3 356.451 3.386 20 0 FGADHM COc1ccc([C@@H](NCc2cc(Cl)c(OC)c(OC)c2)C(=O)[O-])cc1 ZINC000871883753 735560711 /nfs/dbraw/zinc/56/07/11/735560711.db2.gz WWRZXWYXAMKKCP-MRXNPFEDSA-N -1 3 365.813 3.281 20 0 FGADHM COc1ccc(OCc2nc(CN[C@@H](CC3CC3)C(=O)[O-])cs2)cc1 ZINC000871882797 735560848 /nfs/dbraw/zinc/56/08/48/735560848.db2.gz STZHISGCSDCGOX-INIZCTEOSA-N -1 3 362.451 3.074 20 0 FGADHM C[C@H](N[C@@H](C)c1cccc([O-])c1F)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000872030643 735578875 /nfs/dbraw/zinc/57/88/75/735578875.db2.gz AHHAMNFBPFDUTK-STQMWFEESA-N -1 3 366.458 3.193 20 0 FGADHM Cn1cc([C@@H]2C[C@H](C(=O)[O-])CN(Cc3cscc3C(F)(F)F)C2)cn1 ZINC000874048344 735832653 /nfs/dbraw/zinc/83/26/53/735832653.db2.gz PUJJVRBXBCCDSP-MNOVXSKESA-N -1 3 373.400 3.191 20 0 FGADHM CC(C)(C)n1ncc(C(=O)[N-]Oc2ccccc2F)c1Br ZINC000874911112 735945875 /nfs/dbraw/zinc/94/58/75/735945875.db2.gz NCLBNTJWPJTLFO-UHFFFAOYSA-N -1 3 356.195 3.264 20 0 FGADHM O=C(NCc1cc(=O)[n-]c(=S)[nH]1)[C@@H]1CC[C@H]1c1ccc(Cl)cc1F ZINC000880513604 737182254 /nfs/dbraw/zinc/18/22/54/737182254.db2.gz NDKCGSVRHDTMCO-CMPLNLGQSA-N -1 3 367.833 3.073 20 0 FGADHM CC[C@@H](Oc1ccccc1C(C)C)C(=O)NCc1cc(=O)[n-]c(=S)[nH]1 ZINC000880516557 737183020 /nfs/dbraw/zinc/18/30/20/737183020.db2.gz TVSVWIROERLZKY-CQSZACIVSA-N -1 3 361.467 3.068 20 0 FGADHM O=C(NCc1cc(=O)[n-]c(=S)[nH]1)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000880516626 737183202 /nfs/dbraw/zinc/18/32/02/737183202.db2.gz VXXBLHKQKGAQBW-NEPJUHHUSA-N -1 3 370.261 3.198 20 0 FGADHM COC[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)C1 ZINC000882701913 737480143 /nfs/dbraw/zinc/48/01/43/737480143.db2.gz ILCQHVFVWNPYQQ-WAAGHKOSSA-N -1 3 357.781 3.062 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)N1CCCC[C@H](C2CCOCC2)C1 ZINC000883441287 737566968 /nfs/dbraw/zinc/56/69/68/737566968.db2.gz LFKOSIZNKOLGLZ-INIZCTEOSA-N -1 3 350.434 3.270 20 0 FGADHM CC1(CNC(=O)NCc2ccc([O-])c(Br)c2)CC(F)(F)C1 ZINC000883531566 737576863 /nfs/dbraw/zinc/57/68/63/737576863.db2.gz SJVOJYOFQGOBTB-UHFFFAOYSA-N -1 3 363.202 3.389 20 0 FGADHM CCOC(=O)C1(C(F)(F)F)CCN(C(=O)c2c(C)cccc2[O-])CC1 ZINC000884745918 737691020 /nfs/dbraw/zinc/69/10/20/737691020.db2.gz IVGQDXSVQJHITP-UHFFFAOYSA-N -1 3 359.344 3.048 20 0 FGADHM O=C(OCc1nnc(-c2ccccc2[O-])o1)c1cnc(CC2CC2)s1 ZINC000885205289 739132838 /nfs/dbraw/zinc/13/28/38/739132838.db2.gz ZBDSQUIEJPQGON-UHFFFAOYSA-N -1 3 357.391 3.208 20 0 FGADHM O=C(N[C@H](C1CC1)[C@H]1CCCOC1)c1cc([O-])cc(Br)c1 ZINC000885494418 739156736 /nfs/dbraw/zinc/15/67/36/739156736.db2.gz MIUHZBMOBSANTD-XHDPSFHLSA-N -1 3 354.244 3.090 20 0 FGADHM O=c1nc(CN2C[C@@H]3CSC[C@@H]3C2)[n-]c2scc(-c3ccco3)c21 ZINC000886563797 739268792 /nfs/dbraw/zinc/26/87/92/739268792.db2.gz FNUVDWHBPWMYRH-PHIMTYICSA-N -1 3 359.476 3.452 20 0 FGADHM O=C(NCc1cc(=O)[n-]c(=S)[nH]1)Nc1ccc2nc(C3CC3)sc2c1 ZINC000887702185 739413316 /nfs/dbraw/zinc/41/33/16/739413316.db2.gz ATISQUFUNDHIFK-UHFFFAOYSA-N -1 3 373.463 3.280 20 0 FGADHM Cc1cccc([O-])c1C(=O)N1CC[C@@H](c2nccc(C(F)(F)F)n2)C1 ZINC000887889257 739441206 /nfs/dbraw/zinc/44/12/06/739441206.db2.gz KNQFLMLADWPNOZ-LLVKDONJSA-N -1 3 351.328 3.139 20 0 FGADHM Cc1ccc(C(=O)N2CC[C@@H](c3nccc(C(F)(F)F)n3)C2)c([O-])c1 ZINC000887897925 739443638 /nfs/dbraw/zinc/44/36/38/739443638.db2.gz PZYVPDFHFMEAEO-LLVKDONJSA-N -1 3 351.328 3.139 20 0 FGADHM O=C(N[C@@H]1C[C@@H]2CCC[C@H]12)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000889594123 739694767 /nfs/dbraw/zinc/69/47/67/739694767.db2.gz TVZNPWMDLVJLDF-NURSFMCSSA-N -1 3 361.239 3.209 20 0 FGADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1F)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000891471583 739905437 /nfs/dbraw/zinc/90/54/37/739905437.db2.gz JECLWFCTSVSOAZ-NXEZZACHSA-N -1 3 357.311 3.313 20 0 FGADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1F)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000891471583 739905439 /nfs/dbraw/zinc/90/54/39/739905439.db2.gz JECLWFCTSVSOAZ-NXEZZACHSA-N -1 3 357.311 3.313 20 0 FGADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1F)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000891471584 739905470 /nfs/dbraw/zinc/90/54/70/739905470.db2.gz JECLWFCTSVSOAZ-UWVGGRQHSA-N -1 3 357.311 3.313 20 0 FGADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1F)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000891471584 739905473 /nfs/dbraw/zinc/90/54/73/739905473.db2.gz JECLWFCTSVSOAZ-UWVGGRQHSA-N -1 3 357.311 3.313 20 0 FGADHM Cc1cc(=O)[n-]c(CNc2ccc(Br)c(C(F)(F)F)n2)n1 ZINC000894378346 742275109 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FGADHM O=C(Nc1ccccc1OC[C@H]1CCCCO1)c1ccc2n[n-]nc2c1 ZINC000065882970 494251383 /nfs/dbraw/zinc/25/13/83/494251383.db2.gz DOHLFRSWLVJITR-CQSZACIVSA-N -1 3 352.394 3.158 20 0 FGADHM COc1cccc(C(=O)N(C)CC(=O)Nc2c(C)cc(C)cc2C)c1[O-] ZINC000078225492 494256561 /nfs/dbraw/zinc/25/65/61/494256561.db2.gz PKOHLUSDUXKPMH-UHFFFAOYSA-N -1 3 356.422 3.037 20 0 FGADHM COc1ccc([O-])c(C(=O)N2CCN(Cc3ccc(Cl)s3)CC2)c1 ZINC000078307953 494275317 /nfs/dbraw/zinc/27/53/17/494275317.db2.gz HHRNUHBRWXPPRO-UHFFFAOYSA-N -1 3 366.870 3.074 20 0 FGADHM Cc1nc(C)c(CCC(=O)N[C@@H](c2ccc(Cl)cc2)C(C)C)c(=O)[n-]1 ZINC000078407216 494292412 /nfs/dbraw/zinc/29/24/12/494292412.db2.gz ISEDTNYLZZTBLV-GOSISDBHSA-N -1 3 361.873 3.486 20 0 FGADHM CCNC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(Cl)ccc2F)c1 ZINC000055111445 494302916 /nfs/dbraw/zinc/30/29/16/494302916.db2.gz JAZBUKXOVCJYFS-UHFFFAOYSA-N -1 3 370.833 3.338 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)NC[C@H](Nc2ccccc2)C(C)C)c1 ZINC000055184451 494310856 /nfs/dbraw/zinc/31/08/56/494310856.db2.gz OVJPNPGDJXJEJB-SFHVURJKSA-N -1 3 355.438 3.217 20 0 FGADHM C[C@H](c1ccc(F)cc1)N(C)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000055199499 494313221 /nfs/dbraw/zinc/31/32/21/494313221.db2.gz SCECRNRRJOVCHR-GFCCVEGCSA-N -1 3 350.415 3.030 20 0 FGADHM Cc1ccc([O-])c(C(=O)N2CC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)c1 ZINC000089479463 494316091 /nfs/dbraw/zinc/31/60/91/494316091.db2.gz KIGHOPVCVHKWGZ-CYBMUJFWSA-N -1 3 366.339 3.408 20 0 FGADHM CCC[C@H]1CCc2nc(NC(=O)c3ccc4c(c3)C(=O)[N-]C4=O)sc2C1 ZINC000078549547 494318295 /nfs/dbraw/zinc/31/82/95/494318295.db2.gz RNZAVOSTYAWVFL-JTQLQIEISA-N -1 3 369.446 3.184 20 0 FGADHM COC(=O)c1cccc(CC(=O)Nc2ccc([O-])c(C(F)(F)F)c2)c1 ZINC000089506040 494318289 /nfs/dbraw/zinc/31/82/89/494318289.db2.gz QNKZORWYMVEFLB-UHFFFAOYSA-N -1 3 353.296 3.379 20 0 FGADHM CN(C)[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1Cl)c1ccc(F)cc1 ZINC000055277842 494320785 /nfs/dbraw/zinc/32/07/85/494320785.db2.gz WRZIGIHNHHLLLD-OAHLLOKOSA-N -1 3 374.840 3.199 20 0 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/nfs/dbraw/zinc/38/06/07/494380607.db2.gz DOBPQJYSSRIXTJ-FQEVSTJZSA-N -1 3 364.401 3.324 20 0 FGADHM Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)Nc3ccccc3[O-])C2)c1 ZINC000045012346 494391459 /nfs/dbraw/zinc/39/14/59/494391459.db2.gz RYPAUHBYSFDGGM-INIZCTEOSA-N -1 3 352.434 3.500 20 0 FGADHM COc1cccc(C(=O)Nc2ccccc2N2C[C@@H](C)O[C@H](C)C2)c1[O-] ZINC000079008094 494391852 /nfs/dbraw/zinc/39/18/52/494391852.db2.gz SQWABAPEECLVIP-ZIAGYGMSSA-N -1 3 356.422 3.267 20 0 FGADHM C[N-]S(=O)(=O)c1ccc(CNC(=O)Nc2ccccc2C(C)C)s1 ZINC000079045348 494395882 /nfs/dbraw/zinc/39/58/82/494395882.db2.gz ZDLJSOTXEHYUJC-UHFFFAOYSA-N -1 3 367.496 3.101 20 0 FGADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(-n3ccnc3)cc2)c(C)c1 ZINC000073752601 494423518 /nfs/dbraw/zinc/42/35/18/494423518.db2.gz HMFJCTIVWRXXLQ-UHFFFAOYSA-N -1 3 357.435 3.299 20 0 FGADHM O=C1CCc2cc(S(=O)(=O)[N-][C@H]3CCCc4ccccc43)c(F)cc2N1 ZINC000055948252 494432943 /nfs/dbraw/zinc/43/29/43/494432943.db2.gz CZGLBBRSDZGCPH-INIZCTEOSA-N -1 3 374.437 3.066 20 0 FGADHM CCn1nc(C)c(C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)c1C ZINC000066935821 494440943 /nfs/dbraw/zinc/44/09/43/494440943.db2.gz FGVBXUSZZHLUCC-UHFFFAOYSA-N -1 3 362.282 3.305 20 0 FGADHM O=S(=O)([N-]Cc1ccc(OC2CCCC2)nc1)c1cc(F)cc(F)c1 ZINC000056096406 494453349 /nfs/dbraw/zinc/45/33/49/494453349.db2.gz WQTWQKXVZHFDSY-UHFFFAOYSA-N -1 3 368.405 3.160 20 0 FGADHM O=S(=O)([N-]CCCCOCCc1ccccc1)c1ccccc1F ZINC000056110294 494456457 /nfs/dbraw/zinc/45/64/57/494456457.db2.gz NOBJFUZSEJVHRD-UHFFFAOYSA-N -1 3 351.443 3.144 20 0 FGADHM CC(C)COc1ccccc1CNC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000056134727 494458907 /nfs/dbraw/zinc/45/89/07/494458907.db2.gz QQSKOHWQDRYYKZ-UHFFFAOYSA-N -1 3 350.418 3.493 20 0 FGADHM CCC(=O)Nc1ccc(C)c(NCc2nc(C(F)(F)F)cc(=O)[n-]2)c1 ZINC000090371376 494460275 /nfs/dbraw/zinc/46/02/75/494460275.db2.gz VMVMWYAOZGBBCT-UHFFFAOYSA-N -1 3 354.332 3.058 20 0 FGADHM CN(C)[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1F)c1ccsc1 ZINC000045809814 494465084 /nfs/dbraw/zinc/46/50/84/494465084.db2.gz 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ZNLAVELWWUIAJE-UHFFFAOYSA-N -1 3 354.740 3.001 20 0 FGADHM Cc1cc(Cl)cc(NC(=O)C[C@H](NC(N)=O)c2cccs2)c1[O-] ZINC000116980354 494879486 /nfs/dbraw/zinc/87/94/86/494879486.db2.gz PLJAODNEGPDBDC-JTQLQIEISA-N -1 3 353.831 3.154 20 0 FGADHM O=C(Nc1n[n-]c(-c2ccccc2F)n1)c1ccnc(OC2CCC2)c1 ZINC000132528566 494888333 /nfs/dbraw/zinc/88/83/33/494888333.db2.gz VNJFAVWOIGPGKX-UHFFFAOYSA-N -1 3 353.357 3.189 20 0 FGADHM CCOc1ccc(NC(=O)[C@H](C)Sc2n[n-]c(-c3ccccn3)n2)cc1 ZINC000117115205 494893254 /nfs/dbraw/zinc/89/32/54/494893254.db2.gz JPDAOIWEGLOEOK-LBPRGKRZSA-N -1 3 369.450 3.385 20 0 FGADHM CC(C)c1nc(C(=O)NCc2ccc([O-])c(F)c2)nn1-c1cccc(F)c1 ZINC000132659656 494906060 /nfs/dbraw/zinc/90/60/60/494906060.db2.gz FGDHOXXTQWRROG-UHFFFAOYSA-N -1 3 372.375 3.305 20 0 FGADHM CN(Cc1cccn1C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000127188860 494906989 /nfs/dbraw/zinc/90/69/89/494906989.db2.gz OWBDYATVYBKIOP-UHFFFAOYSA-N -1 3 369.490 3.458 20 0 FGADHM Cc1ccc(S(=O)(=O)NCc2ccc([O-])c(Br)c2)cc1F ZINC000127248094 494916448 /nfs/dbraw/zinc/91/64/48/494916448.db2.gz QIIRRYJBZQKRFP-UHFFFAOYSA-N -1 3 374.231 3.081 20 0 FGADHM CCOC(=O)c1sc2[n-]c(Cc3csc(CC)n3)nc(=O)c2c1C ZINC000122076783 494919790 /nfs/dbraw/zinc/91/97/90/494919790.db2.gz HRINAECBDBMPRS-UHFFFAOYSA-N -1 3 363.464 3.079 20 0 FGADHM Cc1nnc(SCc2c3ccccc3oc2C(=O)[N-]c2nc[nH]n2)s1 ZINC000109827472 494922697 /nfs/dbraw/zinc/92/26/97/494922697.db2.gz WSNXSODUVKDIIM-UHFFFAOYSA-N -1 3 372.435 3.255 20 0 FGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)C(c1ccccc1)c1ccccc1 ZINC000109875482 494928530 /nfs/dbraw/zinc/92/85/30/494928530.db2.gz ALVBJISFUUGSQY-UHFFFAOYSA-N -1 3 369.428 3.315 20 0 FGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)C(c1ccccc1)c1ccccc1 ZINC000109875482 494928534 /nfs/dbraw/zinc/92/85/34/494928534.db2.gz ALVBJISFUUGSQY-UHFFFAOYSA-N -1 3 369.428 3.315 20 0 FGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@@H]3CCC[C@@]3(C)CO)s2)cs1 ZINC000132831476 494930270 /nfs/dbraw/zinc/93/02/70/494930270.db2.gz SPUDFYKCOLDKDX-HIFRSBDPSA-N -1 3 372.537 3.009 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)c1ccccc1OCc1cscn1 ZINC000132841081 494932001 /nfs/dbraw/zinc/93/20/01/494932001.db2.gz IKZGHDMGNFMJND-UHFFFAOYSA-N -1 3 358.394 3.497 20 0 FGADHM NC(=O)c1cccc(NC(=O)c2cc(OCc3ccccc3)ccc2[O-])c1 ZINC000093908078 494933224 /nfs/dbraw/zinc/93/32/24/494933224.db2.gz SOJAMQKHDPSRSN-UHFFFAOYSA-N -1 3 362.385 3.322 20 0 FGADHM CC(C)CC(=O)NCCc1ccc(S(=O)(=O)[N-]C2CCCCC2)s1 ZINC000093906131 494933467 /nfs/dbraw/zinc/93/34/67/494933467.db2.gz FMSWUCBZVMUXOF-UHFFFAOYSA-N -1 3 372.556 3.064 20 0 FGADHM CCc1ccc([O-])c(C(=O)N2CCN(C(=O)Nc3ccc(F)cc3)CC2)c1 ZINC000093926579 494935507 /nfs/dbraw/zinc/93/55/07/494935507.db2.gz WDABCDZTMBIWBQ-UHFFFAOYSA-N -1 3 371.412 3.084 20 0 FGADHM CCCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3C)c(C)c1 ZINC000122221278 494942796 /nfs/dbraw/zinc/94/27/96/494942796.db2.gz LTVHWVQWALVZNR-UHFFFAOYSA-N -1 3 374.462 3.104 20 0 FGADHM COc1ccccc1CCN(C)C(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000132988272 494953281 /nfs/dbraw/zinc/95/32/81/494953281.db2.gz FJTRBVQKQWELST-UHFFFAOYSA-N -1 3 368.408 3.299 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)N[C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000133043511 494960724 /nfs/dbraw/zinc/96/07/24/494960724.db2.gz XZGYBPORYLIJAN-CRAIPNDOSA-N -1 3 358.413 3.498 20 0 FGADHM Cc1cc(C)c2c(=O)[n-]c(SCC(=O)N(CC(C)C)C3CC3)nc2n1 ZINC000127582226 494965691 /nfs/dbraw/zinc/96/56/91/494965691.db2.gz IFBWMQUXNGCJCZ-UHFFFAOYSA-N -1 3 360.483 3.086 20 0 FGADHM CC(=O)N(Cc1ccc(NC(=O)[N-]c2nnc3ccccn32)cc1)C(C)C ZINC000118021457 494970734 /nfs/dbraw/zinc/97/07/34/494970734.db2.gz IONUGIQJOLXJRB-UHFFFAOYSA-N -1 3 366.425 3.130 20 0 FGADHM Cc1ccc(C(=O)N2CCC[C@@H](C(=O)NCc3ccc([O-])c(F)c3)C2)cc1 ZINC000133124273 494973828 /nfs/dbraw/zinc/97/38/28/494973828.db2.gz FKPCJAHUPHYLIO-QGZVFWFLSA-N -1 3 370.424 3.008 20 0 FGADHM CC(C)C[C@@H](C)S(=O)(=O)[N-][C@H](c1nc(-c2cccnc2)no1)C(C)C ZINC000118430402 495001875 /nfs/dbraw/zinc/00/18/75/495001875.db2.gz PIOSWMVOURJCRQ-HIFRSBDPSA-N -1 3 366.487 3.183 20 0 FGADHM O=S(=O)([N-][C@@H](c1ccc(F)cc1)C(F)(F)F)c1c[nH]c2ncccc12 ZINC000118435411 495001997 /nfs/dbraw/zinc/00/19/97/495001997.db2.gz JQNZDWCFGMXJOU-ZDUSSCGKSA-N -1 3 373.331 3.284 20 0 FGADHM COCCS(=O)(=O)[N-]c1ccc2ccn(Cc3cccc(OC)c3)c2c1 ZINC000122643085 495008568 /nfs/dbraw/zinc/00/85/68/495008568.db2.gz DJVHOSLDWIXBNB-UHFFFAOYSA-N -1 3 374.462 3.086 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H]2CCC[C@@H]2Cc2ccccc2)c1 ZINC000122672587 495013403 /nfs/dbraw/zinc/01/34/03/495013403.db2.gz UUCOCSQDDJPKNN-APWZRJJASA-N -1 3 352.434 3.492 20 0 FGADHM Cc1sc2nc(-c3ccc(N4CCOCC4)c(F)c3)[n-]c(=O)c2c1C ZINC000127899794 495014214 /nfs/dbraw/zinc/01/42/14/495014214.db2.gz QDVIBYCBSCUTKK-UHFFFAOYSA-N -1 3 359.426 3.244 20 0 FGADHM CCCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)C[C@H]2CCCCO2)c1 ZINC000122680624 495015116 /nfs/dbraw/zinc/01/51/16/495015116.db2.gz NHBFZYCBWJWTSO-CYBMUJFWSA-N -1 3 374.890 3.389 20 0 FGADHM O=c1nc(CN2CCCC[C@@H]2CCO)[n-]c2scc(-c3ccccc3)c21 ZINC000096970720 495017436 /nfs/dbraw/zinc/01/74/36/495017436.db2.gz KMIZOSXKKBDAOO-OAHLLOKOSA-N -1 3 369.490 3.389 20 0 FGADHM O=C(NCCCOC[C@@H]1CCCO1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000110886722 495018389 /nfs/dbraw/zinc/01/83/89/495018389.db2.gz MPUWPVKNAOAVDB-IBGZPJMESA-N -1 3 369.461 3.299 20 0 FGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1ccnc(OCc2ccccc2)c1 ZINC000097040798 495020297 /nfs/dbraw/zinc/02/02/97/495020297.db2.gz QZMAQJOTRGWBKK-UHFFFAOYSA-N -1 3 372.388 3.093 20 0 FGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1ccnc(OCc2ccccc2)c1 ZINC000097040798 495020301 /nfs/dbraw/zinc/02/03/01/495020301.db2.gz QZMAQJOTRGWBKK-UHFFFAOYSA-N -1 3 372.388 3.093 20 0 FGADHM O=C(c1ccc2n[n-]nc2c1)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000127990023 495027390 /nfs/dbraw/zinc/02/73/90/495027390.db2.gz DKZUSLRKRHVJLD-CYBMUJFWSA-N -1 3 367.478 3.313 20 0 FGADHM CC[C@@H](NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)c1cccs1 ZINC000128047835 495037598 /nfs/dbraw/zinc/03/75/98/495037598.db2.gz WEXITHZPFJUDMQ-OAHLLOKOSA-N -1 3 373.478 3.072 20 0 FGADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1ccccc1OCc1cscn1 ZINC000128101735 495044266 /nfs/dbraw/zinc/04/42/66/495044266.db2.gz SJZBDNBDFKMVEE-UHFFFAOYSA-N -1 3 369.328 3.111 20 0 FGADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1ccccc1OCc1cscn1 ZINC000128101735 495044268 /nfs/dbraw/zinc/04/42/68/495044268.db2.gz SJZBDNBDFKMVEE-UHFFFAOYSA-N -1 3 369.328 3.111 20 0 FGADHM CC[C@H]1CN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)C[C@H](C)O1 ZINC000111273998 495056907 /nfs/dbraw/zinc/05/69/07/495056907.db2.gz KRHNFWUYHPIESO-RYUDHWBXSA-N -1 3 359.451 3.244 20 0 FGADHM CCCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)Cc2ccc([O-])cc2Cl)C1 ZINC000122978437 495063203 /nfs/dbraw/zinc/06/32/03/495063203.db2.gz NIYUGCDWUUXIAN-HIFRSBDPSA-N -1 3 366.889 3.132 20 0 FGADHM COc1cc(F)c(S(=O)(=O)[N-][C@@H]2c3ccccc3C[C@H]2C)cc1OC ZINC000111368425 495068067 /nfs/dbraw/zinc/06/80/67/495068067.db2.gz AIMHXMIVPDIJQM-ZMZPIMSZSA-N -1 3 365.426 3.055 20 0 FGADHM C[C@H]([N-]S(=O)(=O)Cc1ccccc1F)c1noc(-c2ccccc2)n1 ZINC000128293824 495074190 /nfs/dbraw/zinc/07/41/90/495074190.db2.gz AGCFDIQRGZCUIH-LBPRGKRZSA-N -1 3 361.398 3.056 20 0 FGADHM CS[C@@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000119030653 495075149 /nfs/dbraw/zinc/07/51/49/495075149.db2.gz FKDJWBBSCAKDLA-QMMMGPOBSA-N -1 3 370.418 3.157 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H]2CC(=O)c2cccs2)c1 ZINC000123109626 495082495 /nfs/dbraw/zinc/08/24/95/495082495.db2.gz LOYCVOVBNFVAIP-AWEZNQCLSA-N -1 3 372.446 3.290 20 0 FGADHM CCCO[C@H]1CCCN(C(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)CC1 ZINC000134179689 495117724 /nfs/dbraw/zinc/11/77/24/495117724.db2.gz KOUJTKODSJBAOQ-HNNXBMFYSA-N -1 3 360.429 3.397 20 0 FGADHM O=C(N[C@H](c1cccc(F)c1F)C(F)(F)F)c1cccc2nn[n-]c21 ZINC000119240888 495125154 /nfs/dbraw/zinc/12/51/54/495125154.db2.gz GPLSTHSKPFLJKH-CYBMUJFWSA-N -1 3 356.254 3.270 20 0 FGADHM O=C(N[C@H](c1cccc(F)c1F)C(F)(F)F)c1cccc2[n-]nnc21 ZINC000119240888 495125156 /nfs/dbraw/zinc/12/51/56/495125156.db2.gz GPLSTHSKPFLJKH-CYBMUJFWSA-N -1 3 356.254 3.270 20 0 FGADHM O=C(N[C@H](c1cccc(F)c1F)C(F)(F)F)c1cccc2n[n-]nc21 ZINC000119240888 495125159 /nfs/dbraw/zinc/12/51/59/495125159.db2.gz GPLSTHSKPFLJKH-CYBMUJFWSA-N -1 3 356.254 3.270 20 0 FGADHM O=C(Nc1cccc([O-])c1F)c1occc1CN1C(=O)Cc2ccccc21 ZINC000128634096 495127973 /nfs/dbraw/zinc/12/79/73/495127973.db2.gz ZGSSBVDODSZQSK-UHFFFAOYSA-N -1 3 366.348 3.466 20 0 FGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)CSc1ccc(F)c(F)c1 ZINC000134292600 495131712 /nfs/dbraw/zinc/13/17/12/495131712.db2.gz GYMYXGDUHUOTQV-UHFFFAOYSA-N -1 3 370.377 3.423 20 0 FGADHM O=C(NCc1ccc([O-])c(Br)c1)N1CCc2ccsc2C1 ZINC000119279758 495133141 /nfs/dbraw/zinc/13/31/41/495133141.db2.gz YMGWQPDUYPJXCU-UHFFFAOYSA-N -1 3 367.268 3.484 20 0 FGADHM CC[C@@H]([N-]S(=O)(=O)c1cccc2c1N=S=N2)c1c(C)noc1C ZINC000119290708 495135233 /nfs/dbraw/zinc/13/52/33/495135233.db2.gz XWQICONARXAJMG-SNVBAGLBSA-N -1 3 352.441 3.447 20 0 FGADHM CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)c1cnc2c(cnn2C)c1[O-] ZINC000119292124 495135459 /nfs/dbraw/zinc/13/54/59/495135459.db2.gz UBKDYQAHLZQXIY-INIZCTEOSA-N -1 3 366.465 3.466 20 0 FGADHM O=C([N-]c1c(F)cc(F)cc1F)c1cn(Cc2cccc(F)c2)nn1 ZINC000123590148 495156302 /nfs/dbraw/zinc/15/63/02/495156302.db2.gz QYQVZARCFTYHOO-UHFFFAOYSA-N -1 3 350.275 3.135 20 0 FGADHM CCCS(=O)(=O)[N-]c1ccc(C(=O)Nc2nnc(C(C)C)s2)cc1 ZINC000102751980 495159273 /nfs/dbraw/zinc/15/92/73/495159273.db2.gz ODMXPZVFEMEFEV-UHFFFAOYSA-N -1 3 368.484 3.066 20 0 FGADHM COc1cccc(-c2cc(NC(=O)c3cc(OC)ccc3[O-])n(C)n2)c1 ZINC000119412979 495162003 /nfs/dbraw/zinc/16/20/03/495162003.db2.gz VGTGVSMJTDZDPA-UHFFFAOYSA-N -1 3 353.378 3.062 20 0 FGADHM COc1cccc(-c2cc(NC(=O)c3cccc(OC)c3[O-])n(C)n2)c1 ZINC000119410236 495162016 /nfs/dbraw/zinc/16/20/16/495162016.db2.gz LQLDGJAJMWOBGE-UHFFFAOYSA-N -1 3 353.378 3.062 20 0 FGADHM Cc1ccc(F)cc1C(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000123701265 495173285 /nfs/dbraw/zinc/17/32/85/495173285.db2.gz AZSFRCRPAMIGLR-UHFFFAOYSA-N -1 3 356.397 3.331 20 0 FGADHM C[C@H](OC1CCCCCC1)C(=O)N(C)Cc1nc2ccsc2c(=O)[n-]1 ZINC000119489180 495176361 /nfs/dbraw/zinc/17/63/61/495176361.db2.gz SVGNWMYWWHCGOS-LBPRGKRZSA-N -1 3 363.483 3.071 20 0 FGADHM O=S(=O)([N-][C@@H]1CCOC2(CCCC2)C1)c1ccccc1C(F)(F)F ZINC000134640331 495180137 /nfs/dbraw/zinc/18/01/37/495180137.db2.gz RRHWGVFRSFHOPE-GFCCVEGCSA-N -1 3 363.401 3.476 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)NCc3nc(C4CC4)cs3)c[n-]c12 ZINC000119531284 495184487 /nfs/dbraw/zinc/18/44/87/495184487.db2.gz SLZHSQHKZWRUKF-UHFFFAOYSA-N -1 3 357.410 3.240 20 0 FGADHM O=C(Nc1cccc([O-])c1F)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000129043031 495187590 /nfs/dbraw/zinc/18/75/90/495187590.db2.gz FIPNIDFNMPQOAL-ZDUSSCGKSA-N -1 3 360.360 3.161 20 0 FGADHM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccc(F)c(C)c3)cc2C[C@H]1C ZINC000103060716 495188131 /nfs/dbraw/zinc/18/81/31/495188131.db2.gz KGFBAHSLYADYSM-GFCCVEGCSA-N -1 3 362.426 3.232 20 0 FGADHM COCCOc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1Cl ZINC000119626268 495205065 /nfs/dbraw/zinc/20/50/65/495205065.db2.gz RRARSWSMJSEVED-UHFFFAOYSA-N -1 3 359.806 3.305 20 0 FGADHM CCN(CC)C(=O)CCCC(=O)Nc1ccc(Br)cc1[O-] ZINC000103269333 495211757 /nfs/dbraw/zinc/21/17/57/495211757.db2.gz YTYGKTHOWDRPCE-UHFFFAOYSA-N -1 3 357.248 3.132 20 0 FGADHM Cc1cnc([C@@H](C)[N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)s1 ZINC000134940015 495227481 /nfs/dbraw/zinc/22/74/81/495227481.db2.gz SIYSQOACPHETMS-SSDOTTSWSA-N -1 3 352.268 3.193 20 0 FGADHM CC(C)c1nc(C(=O)[N-]c2nc[nH]n2)nn1-c1c(Cl)cccc1Cl ZINC000103431216 495230774 /nfs/dbraw/zinc/23/07/74/495230774.db2.gz XMDPKQOQMMWGDS-UHFFFAOYSA-N -1 3 366.212 3.068 20 0 FGADHM CN1CCC2(CC1)C[C@H](NC(=O)c1c([O-])cccc1F)c1ccccc1O2 ZINC000129469116 495249666 /nfs/dbraw/zinc/24/96/66/495249666.db2.gz UJBOXABBAVRHKF-INIZCTEOSA-N -1 3 370.424 3.249 20 0 FGADHM Cn1ccnc1-c1cc(NC(=O)COc2ccccc2C(C)(C)C)n[n-]1 ZINC000119835113 495251287 /nfs/dbraw/zinc/25/12/87/495251287.db2.gz FJRYBFFPCWAHGJ-UHFFFAOYSA-N -1 3 353.426 3.125 20 0 FGADHM Cn1ccnc1-c1cc(NC(=O)COc2ccccc2C(C)(C)C)[n-]n1 ZINC000119835113 495251292 /nfs/dbraw/zinc/25/12/92/495251292.db2.gz FJRYBFFPCWAHGJ-UHFFFAOYSA-N -1 3 353.426 3.125 20 0 FGADHM Nc1nccnc1C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000129512901 495255802 /nfs/dbraw/zinc/25/58/02/495255802.db2.gz COZUADQYDXWQBX-UHFFFAOYSA-N -1 3 363.402 3.293 20 0 FGADHM COC(=O)Cc1n[n-]c(NC(=O)C2(c3ccc(C(C)C)cc3)CCCC2)n1 ZINC000135172074 495258955 /nfs/dbraw/zinc/25/89/55/495258955.db2.gz IDLHKXQPEITQBL-UHFFFAOYSA-N -1 3 370.453 3.094 20 0 FGADHM COC(=O)Cc1nnc(NC(=O)C2(c3ccc(C(C)C)cc3)CCCC2)[n-]1 ZINC000135172074 495258959 /nfs/dbraw/zinc/25/89/59/495258959.db2.gz IDLHKXQPEITQBL-UHFFFAOYSA-N -1 3 370.453 3.094 20 0 FGADHM COC(=O)Cc1nc(NC(=O)C2(c3ccc(C(C)C)cc3)CCCC2)n[n-]1 ZINC000135172074 495258963 /nfs/dbraw/zinc/25/89/63/495258963.db2.gz IDLHKXQPEITQBL-UHFFFAOYSA-N -1 3 370.453 3.094 20 0 FGADHM CCCS(=O)(=O)[N-]c1cc(NC(=O)[C@H]2C[C@@]2(C)CC)c(F)cc1F ZINC000135278008 495271862 /nfs/dbraw/zinc/27/18/62/495271862.db2.gz JXAAXRGKXVEKCT-QLJPJBMISA-N -1 3 360.426 3.491 20 0 FGADHM O=C(Nc1cc(C2CCCC2)[nH]n1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000129675162 495278751 /nfs/dbraw/zinc/27/87/51/495278751.db2.gz CNXZMEFKLZLUEW-INIZCTEOSA-N -1 3 368.437 3.016 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1csc(-c2ccccc2F)n1 ZINC000104367306 495280343 /nfs/dbraw/zinc/28/03/43/495280343.db2.gz YHOCWHVXQSVVMN-UHFFFAOYSA-N -1 3 366.381 3.382 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1csc(-c2ccccc2F)n1 ZINC000104367306 495280347 /nfs/dbraw/zinc/28/03/47/495280347.db2.gz YHOCWHVXQSVVMN-UHFFFAOYSA-N -1 3 366.381 3.382 20 0 FGADHM CCOc1ccccc1[C@H](CC(=O)Nc1ccc([O-])cc1F)NC(C)=O ZINC000124419345 495284296 /nfs/dbraw/zinc/28/42/96/495284296.db2.gz WSSRTVYUQFAPJR-KRWDZBQOSA-N -1 3 360.385 3.136 20 0 FGADHM Cc1ccc(C[C@@H]2CCCN2CC2=Nc3ccccc3S(=O)(=O)[N-]2)cc1 ZINC000113264411 495290690 /nfs/dbraw/zinc/29/06/90/495290690.db2.gz NQRVYCACUHSVHB-KRWDZBQOSA-N -1 3 369.490 3.024 20 0 FGADHM O=S(=O)([N-]c1ccc2nc(C(F)F)[nH]c2c1)c1ccc2c(c1)CCO2 ZINC000135506010 495303116 /nfs/dbraw/zinc/30/31/16/495303116.db2.gz CLEKDKRCKCVOHF-UHFFFAOYSA-N -1 3 365.361 3.236 20 0 FGADHM Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000135563895 495311794 /nfs/dbraw/zinc/31/17/94/495311794.db2.gz IFURZDQMBLCMRE-LBPRGKRZSA-N -1 3 371.828 3.158 20 0 FGADHM Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000135563895 495311795 /nfs/dbraw/zinc/31/17/95/495311795.db2.gz IFURZDQMBLCMRE-LBPRGKRZSA-N -1 3 371.828 3.158 20 0 FGADHM CC(C)c1cccc(O[C@@H](C)C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)c1 ZINC000135577702 495314001 /nfs/dbraw/zinc/31/40/01/495314001.db2.gz VRAHCDAFSIMRAP-AWEZNQCLSA-N -1 3 365.437 3.320 20 0 FGADHM CC(C)c1cccc(O[C@@H](C)C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)c1 ZINC000135577702 495314004 /nfs/dbraw/zinc/31/40/04/495314004.db2.gz VRAHCDAFSIMRAP-AWEZNQCLSA-N -1 3 365.437 3.320 20 0 FGADHM COC[C@@]1(C(=O)[O-])CCCN(Cc2ccc(C)cc2Br)C1 ZINC000568772644 505774409 /nfs/dbraw/zinc/77/44/09/505774409.db2.gz YUTDWMPMTMWVRA-MRXNPFEDSA-N -1 3 356.260 3.071 20 0 FGADHM CCC[C@H](C)CS(=O)(=O)NCc1ccc([O-])c(Br)c1 ZINC000124722358 495333568 /nfs/dbraw/zinc/33/35/68/495333568.db2.gz OEHRRSSMKNDXAQ-JTQLQIEISA-N -1 3 350.278 3.010 20 0 FGADHM CC12CC3(C)CC(C)(C1)CC(C(=O)N1CCc4c(nc[n-]c4=O)C1)(C2)C3 ZINC000577691691 505775676 /nfs/dbraw/zinc/77/56/76/505775676.db2.gz DILKJOSYVGLLHQ-UHFFFAOYSA-N -1 3 355.482 3.454 20 0 FGADHM O=C(Cc1ccc([O-])cc1Cl)NCc1cnn(Cc2ccccc2)c1 ZINC000136169840 495361012 /nfs/dbraw/zinc/36/10/12/495361012.db2.gz BOONAGIEEDSFTO-UHFFFAOYSA-N -1 3 355.825 3.149 20 0 FGADHM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2F)cc1 ZINC000105389899 495361427 /nfs/dbraw/zinc/36/14/27/495361427.db2.gz BODXCVQIAGISHA-UHFFFAOYSA-N -1 3 359.325 3.081 20 0 FGADHM Cc1cc(C)n(-c2ccc(CNC(=O)Cc3ccc([O-])cc3Cl)cn2)n1 ZINC000136182445 495362654 /nfs/dbraw/zinc/36/26/54/495362654.db2.gz RUWAILGQCCITTF-UHFFFAOYSA-N -1 3 370.840 3.102 20 0 FGADHM Cc1c(CS(C)(=O)=O)cccc1NC(=O)Cc1ccc([O-])cc1Cl ZINC000136285333 495369219 /nfs/dbraw/zinc/36/92/19/495369219.db2.gz PAXOJFXKDCZDHJ-UHFFFAOYSA-N -1 3 367.854 3.080 20 0 FGADHM COCc1ccccc1CS(=O)(=O)[N-]Cc1cc(-c2ccccc2)on1 ZINC000574460379 505778136 /nfs/dbraw/zinc/77/81/36/505778136.db2.gz VVKFYAFBBQOVRT-UHFFFAOYSA-N -1 3 372.446 3.108 20 0 FGADHM CNC(=O)c1ccc([N-]S(=O)(=O)c2cc(C)ccc2Cl)c(Cl)c1 ZINC000120451640 495382291 /nfs/dbraw/zinc/38/22/91/495382291.db2.gz KNLHHIPFTPEUJH-UHFFFAOYSA-N -1 3 373.261 3.462 20 0 FGADHM C[C@@H]([N-]S(C)(=O)=O)c1nc(-c2cccc(Oc3ccccc3)c2)no1 ZINC000136498576 495383687 /nfs/dbraw/zinc/38/36/87/495383687.db2.gz HHLNOSPFWKKZHI-GFCCVEGCSA-N -1 3 359.407 3.139 20 0 FGADHM Cc1ccc(Cl)cc1NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000136723076 495397011 /nfs/dbraw/zinc/39/70/11/495397011.db2.gz YVSDZYGSOMMFIQ-UHFFFAOYSA-N -1 3 373.840 3.344 20 0 FGADHM CC[C@@H](CC1CCCC1)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000114630354 495400191 /nfs/dbraw/zinc/40/01/91/495400191.db2.gz SCMQMKKPCOIZAT-KRWDZBQOSA-N -1 3 358.482 3.283 20 0 FGADHM CCc1nccn1[C@@H]1CCCN(C(=O)c2c([O-])cnc3ccccc32)C1 ZINC000136767707 495400763 /nfs/dbraw/zinc/40/07/63/495400763.db2.gz YJVQLAFMZDAKNE-CQSZACIVSA-N -1 3 350.422 3.177 20 0 FGADHM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(NC(=O)C4CC4)cc3)ccc2O1 ZINC000106006780 495402229 /nfs/dbraw/zinc/40/22/29/495402229.db2.gz VZBPDAIQZPVJIR-LBPRGKRZSA-N -1 3 372.446 3.159 20 0 FGADHM CCOC(=O)c1nnsc1[N-]C(=O)[C@@H](C)Oc1ccc(Cl)cc1C ZINC000106101333 495414841 /nfs/dbraw/zinc/41/48/41/495414841.db2.gz YQIOAXOZVXOWRS-SECBINFHSA-N -1 3 369.830 3.083 20 0 FGADHM C[C@@H](CCc1ccccc1F)C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000136990269 495416071 /nfs/dbraw/zinc/41/60/71/495416071.db2.gz RWCZTSLXHNDJAY-ZDUSSCGKSA-N -1 3 353.401 3.137 20 0 FGADHM C[C@@H](CCc1ccccc1F)C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000136990269 495416072 /nfs/dbraw/zinc/41/60/72/495416072.db2.gz RWCZTSLXHNDJAY-ZDUSSCGKSA-N -1 3 353.401 3.137 20 0 FGADHM Cc1cc(OC(F)F)c(C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)s1 ZINC000137001541 495416978 /nfs/dbraw/zinc/41/69/78/495416978.db2.gz FRFRWDQNQDXGBT-UHFFFAOYSA-N -1 3 365.365 3.014 20 0 FGADHM Cc1cc(OC(F)F)c(C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)s1 ZINC000137001541 495416983 /nfs/dbraw/zinc/41/69/83/495416983.db2.gz FRFRWDQNQDXGBT-UHFFFAOYSA-N -1 3 365.365 3.014 20 0 FGADHM O=C(CCS(=O)(=O)C1CCCC1)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000125301254 495423019 /nfs/dbraw/zinc/42/30/19/495423019.db2.gz PKWYXVQJTGKWQU-UHFFFAOYSA-N -1 3 365.373 3.097 20 0 FGADHM CC(C)CC1(C(=O)Nc2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)CCCC1 ZINC000120676637 495432756 /nfs/dbraw/zinc/43/27/56/495432756.db2.gz DQWXNZXCUXBEOF-IBGZPJMESA-N -1 3 357.454 3.286 20 0 FGADHM O=S(=O)([N-]C[C@H](CO)c1ccccc1)c1c(Cl)cccc1Cl ZINC000125373416 495434665 /nfs/dbraw/zinc/43/46/65/495434665.db2.gz KTMZPTBXKQFWIA-GFCCVEGCSA-N -1 3 360.262 3.048 20 0 FGADHM Cc1nn2c(nnc2SCCOc2c(Cl)cccc2Cl)[n-]c1=O ZINC000114860776 495436016 /nfs/dbraw/zinc/43/60/16/495436016.db2.gz HSTDOPQJPBUYIL-UHFFFAOYSA-N -1 3 372.237 3.011 20 0 FGADHM COCCC1(C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CCC1 ZINC000125387954 495436766 /nfs/dbraw/zinc/43/67/66/495436766.db2.gz ARIIHOZTRJIERI-UHFFFAOYSA-N -1 3 352.283 3.479 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)c1nccs1 ZINC000106237348 495438768 /nfs/dbraw/zinc/43/87/68/495438768.db2.gz VDRDLLKLYQQHPK-ZETCQYMHSA-N -1 3 354.350 3.341 20 0 FGADHM CCO[C@@H]1C[C@@H](N(C)Cc2nc3c4ccccc4oc3c(=O)[n-]2)C1(C)C ZINC000120726117 495444027 /nfs/dbraw/zinc/44/40/27/495444027.db2.gz AJPBIQGPGITROK-HUUCEWRRSA-N -1 3 355.438 3.305 20 0 FGADHM C[C@@H](CCC(=O)Nc1cccc([C@]2(C)NC(=O)[N-]C2=O)c1)c1ccccc1 ZINC000137604129 495446950 /nfs/dbraw/zinc/44/69/50/495446950.db2.gz FEHJGHUEMBYOAX-QKKBWIMNSA-N -1 3 365.433 3.264 20 0 FGADHM CCOc1cccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])c1 ZINC000130830246 495453204 /nfs/dbraw/zinc/45/32/04/495453204.db2.gz XOGZRMFRILIABL-KRWDZBQOSA-N -1 3 354.406 3.034 20 0 FGADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1cccc(Oc2ccncc2)c1 ZINC000120772547 495454224 /nfs/dbraw/zinc/45/42/24/495454224.db2.gz ZYURJXFAGXUVPP-UHFFFAOYSA-N -1 3 372.388 3.230 20 0 FGADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1cccc(Oc2ccncc2)c1 ZINC000120772547 495454227 /nfs/dbraw/zinc/45/42/27/495454227.db2.gz ZYURJXFAGXUVPP-UHFFFAOYSA-N -1 3 372.388 3.230 20 0 FGADHM CCc1cc(=O)[n-]c(CSCCC(=O)NCc2ccccc2Cl)n1 ZINC000125537594 495460235 /nfs/dbraw/zinc/46/02/35/495460235.db2.gz RUZTZOKHPZBZIS-UHFFFAOYSA-N -1 3 365.886 3.338 20 0 FGADHM C[C@H]1OCCN(Cc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)[C@H]1C ZINC000139108914 495473041 /nfs/dbraw/zinc/47/30/41/495473041.db2.gz CQFJOHNWKRHDRK-QWHCGFSZSA-N -1 3 355.463 3.261 20 0 FGADHM Cc1ccc([O-])c(C(=O)Nc2ccc(OCC(=O)N(C)C)c(Cl)c2)c1 ZINC000115232221 495477862 /nfs/dbraw/zinc/47/78/62/495477862.db2.gz XPCWFHJBOVIPMK-UHFFFAOYSA-N -1 3 362.813 3.073 20 0 FGADHM Cn1cc(CCCNC(=O)c2cc(OCc3ccccc3)ccc2[O-])cn1 ZINC000131012918 495478967 /nfs/dbraw/zinc/47/89/67/495478967.db2.gz ZJKNGNCASUSHFE-UHFFFAOYSA-N -1 3 365.433 3.067 20 0 FGADHM COc1cccc(C(=O)N(C)CCc2ccc(Br)cc2)c1[O-] ZINC000106667395 495484133 /nfs/dbraw/zinc/48/41/33/495484133.db2.gz RYHOSMJJNJMNJO-UHFFFAOYSA-N -1 3 364.239 3.478 20 0 FGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@H]1CCSc2ccccc21 ZINC000140505234 495496790 /nfs/dbraw/zinc/49/67/90/495496790.db2.gz DWOBCOUYPYACIM-NSHDSACASA-N -1 3 369.489 3.050 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)C(=O)Nc1ccc(OC2CCCC2)cc1 ZINC000120987518 495498032 /nfs/dbraw/zinc/49/80/32/495498032.db2.gz ILUYCKGJVCECIM-UHFFFAOYSA-N -1 3 372.396 3.108 20 0 FGADHM O=C([N-]c1nnc(Cc2ccc(F)cc2)s1)c1n[nH]c2ccccc21 ZINC000106832125 495500013 /nfs/dbraw/zinc/50/00/13/495500013.db2.gz PLJDVJLSNOMTSN-UHFFFAOYSA-N -1 3 353.382 3.397 20 0 FGADHM CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1cncc([O-])c1 ZINC000125804833 495501370 /nfs/dbraw/zinc/50/13/70/495501370.db2.gz VEMBECHOJWWMSS-UHFFFAOYSA-N -1 3 367.371 3.010 20 0 FGADHM O=C([N-]c1nncs1)c1cnn(-c2ncccc2Cl)c1C(F)(F)F ZINC000107104853 495522258 /nfs/dbraw/zinc/52/22/58/495522258.db2.gz RUCBTHUUBLVFHF-UHFFFAOYSA-N -1 3 374.735 3.043 20 0 FGADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3ccc(-c4ncon4)cc3)cc2)n1 ZINC000107130790 495522718 /nfs/dbraw/zinc/52/27/18/495522718.db2.gz BOXBDARJRBFWGO-UHFFFAOYSA-N -1 3 373.372 3.048 20 0 FGADHM COc1ccsc1C(=O)[N-]c1nnc(Cc2cccc(OC)c2)s1 ZINC000107177730 495523316 /nfs/dbraw/zinc/52/33/16/495523316.db2.gz XENOWEIURDTMIP-UHFFFAOYSA-N -1 3 361.448 3.460 20 0 FGADHM Cc1nc(C)c(CC(=O)N([C@H](C)c2ccc(Cl)cc2)C2CC2)c(=O)[n-]1 ZINC000154194911 495540797 /nfs/dbraw/zinc/54/07/97/495540797.db2.gz WCHGYTYGYUCFDL-GFCCVEGCSA-N -1 3 359.857 3.335 20 0 FGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)Nc2cccc(C)c2)cc1OC ZINC000144118316 495541316 /nfs/dbraw/zinc/54/13/16/495541316.db2.gz NJGDHNXGYWGMDC-UHFFFAOYSA-N -1 3 363.439 3.409 20 0 FGADHM CC1(C)CCC[C@H]1NC(=O)Cc1csc(NC(=O)c2cccc([O-])c2)n1 ZINC000176214117 495549847 /nfs/dbraw/zinc/54/98/47/495549847.db2.gz PJEARLMGXFRLAJ-OAHLLOKOSA-N -1 3 373.478 3.338 20 0 FGADHM CC(C)CC(=O)Nc1ccc(C(=O)Nc2nnc(-c3ccco3)[n-]2)cc1F ZINC000173487460 495554071 /nfs/dbraw/zinc/55/40/71/495554071.db2.gz KRIHZLYJLBQLFH-UHFFFAOYSA-N -1 3 371.372 3.441 20 0 FGADHM CC(C)CC(=O)Nc1ccc(C(=O)Nc2nc(-c3ccco3)n[n-]2)cc1F ZINC000173487460 495554077 /nfs/dbraw/zinc/55/40/77/495554077.db2.gz KRIHZLYJLBQLFH-UHFFFAOYSA-N -1 3 371.372 3.441 20 0 FGADHM CC(C)CC(=O)Nc1ccc(C(=O)Nc2n[n-]c(-c3ccco3)n2)cc1F ZINC000173487460 495554083 /nfs/dbraw/zinc/55/40/83/495554083.db2.gz KRIHZLYJLBQLFH-UHFFFAOYSA-N -1 3 371.372 3.441 20 0 FGADHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(-c3nnco3)c2)c(C)c1 ZINC000179387751 495572187 /nfs/dbraw/zinc/57/21/87/495572187.db2.gz IKOUPQHYHKOHGM-UHFFFAOYSA-N -1 3 359.407 3.245 20 0 FGADHM CCCN(CCC)C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000148157632 495581924 /nfs/dbraw/zinc/58/19/24/495581924.db2.gz RWGGGDOQFVROCM-UHFFFAOYSA-N -1 3 357.476 3.111 20 0 FGADHM Cc1noc(C)c1[C@@H](C)C[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000158794075 495589637 /nfs/dbraw/zinc/58/96/37/495589637.db2.gz CLEUSGGUEWESMR-ZETCQYMHSA-N -1 3 364.254 3.075 20 0 FGADHM Fc1ccc(CN2CCC[C@H]2c2nc(-c3ccc4n[n-]nc4c3)no2)cc1 ZINC000571687644 505791012 /nfs/dbraw/zinc/79/10/12/505791012.db2.gz GOGRVXCZDJSLDR-KRWDZBQOSA-N -1 3 364.384 3.484 20 0 FGADHM COC(=O)c1c(C2CC2)csc1[N-]C(=O)C(=O)Nc1ccc(C)cc1 ZINC000185483646 495593868 /nfs/dbraw/zinc/59/38/68/495593868.db2.gz SLAWPMHGYALXPC-UHFFFAOYSA-N -1 3 358.419 3.298 20 0 FGADHM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-][C@H](c1ccccc1)C1CC1 ZINC000179454853 495597179 /nfs/dbraw/zinc/59/71/79/495597179.db2.gz WKZABIITHDMLBH-QGZVFWFLSA-N -1 3 363.410 3.042 20 0 FGADHM CCOc1ccc([C@H](C)NC(=O)CCCNC(=O)c2cccc([O-])c2)cc1 ZINC000182587964 495626027 /nfs/dbraw/zinc/62/60/27/495626027.db2.gz DGXMKWTWGMUZDL-HNNXBMFYSA-N -1 3 370.449 3.178 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N[C@@H](c2ncccc2C)C(C)C)c([O-])c1 ZINC000176385211 495630068 /nfs/dbraw/zinc/63/00/68/495630068.db2.gz LUZBNEHQEXGPRI-LJQANCHMSA-N -1 3 369.465 3.037 20 0 FGADHM O=S(=O)(CCOc1ccc(F)cc1)[N-]c1ccc(C(F)(F)F)nc1 ZINC000179545964 495635086 /nfs/dbraw/zinc/63/50/86/495635086.db2.gz OYUOGEILDYWLBC-UHFFFAOYSA-N -1 3 364.320 3.060 20 0 FGADHM Cc1c(Cl)cccc1N1CCCN(C(=O)Cc2cncc([O-])c2)CC1 ZINC000571700670 505794518 /nfs/dbraw/zinc/79/45/18/505794518.db2.gz MQCDZCFWJMHRJK-UHFFFAOYSA-N -1 3 359.857 3.030 20 0 FGADHM O=C(Nc1cc(Br)ccc1[O-])[C@H]1CCCN1c1nccs1 ZINC000179654343 495677167 /nfs/dbraw/zinc/67/71/67/495677167.db2.gz GWBZNEQJICMJAT-LLVKDONJSA-N -1 3 368.256 3.219 20 0 FGADHM O=C(Nc1ncc(Cc2ccccc2F)s1)c1cccc2nn[n-]c21 ZINC000182724715 495677636 /nfs/dbraw/zinc/67/76/36/495677636.db2.gz RRVLXOQSXJFTPO-UHFFFAOYSA-N -1 3 353.382 3.397 20 0 FGADHM O=C(Nc1ncc(Cc2ccccc2F)s1)c1cccc2[n-]nnc21 ZINC000182724715 495677640 /nfs/dbraw/zinc/67/76/40/495677640.db2.gz RRVLXOQSXJFTPO-UHFFFAOYSA-N -1 3 353.382 3.397 20 0 FGADHM O=C(Nc1ncc(Cc2ccccc2F)s1)c1cccc2n[n-]nc21 ZINC000182724715 495677644 /nfs/dbraw/zinc/67/76/44/495677644.db2.gz RRVLXOQSXJFTPO-UHFFFAOYSA-N -1 3 353.382 3.397 20 0 FGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@@H]2C[C@]2(C)C(C)C)cc1OC ZINC000185705536 495689446 /nfs/dbraw/zinc/68/94/46/495689446.db2.gz IVKPCIQYSWJBGL-SUMWQHHRSA-N -1 3 354.472 3.078 20 0 FGADHM O=S(=O)([N-][C@@H](c1ccccc1)[C@H]1CCCO1)c1ccc(F)cc1F ZINC000171041964 495700023 /nfs/dbraw/zinc/70/00/23/495700023.db2.gz YXEFLGVYENFFPF-WBVHZDCISA-N -1 3 353.390 3.163 20 0 FGADHM Cn1cc(-c2csc([N-]C(=O)c3cc(-c4ccccc4)no3)n2)cn1 ZINC000150981006 495701338 /nfs/dbraw/zinc/70/13/38/495701338.db2.gz ZOJOSOIQKRERAB-UHFFFAOYSA-N -1 3 351.391 3.451 20 0 FGADHM CCc1cnc(C[N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)s1 ZINC000173810677 495702839 /nfs/dbraw/zinc/70/28/39/495702839.db2.gz XJFPLUVNZFVCKX-UHFFFAOYSA-N -1 3 351.280 3.491 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H]2C2CCC2)c1 ZINC000185820227 495737879 /nfs/dbraw/zinc/73/78/79/495737879.db2.gz ILAGTUYYUOLYDI-QGZVFWFLSA-N -1 3 369.421 3.346 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)NC[C@H]3CCc4ccccc43)c[n-]c12 ZINC000151131913 495747370 /nfs/dbraw/zinc/74/73/70/495747370.db2.gz TUEQWCJCKVHBME-CQSZACIVSA-N -1 3 350.393 3.435 20 0 FGADHM COc1cccc(F)c1[C@H](C)[N-]S(=O)(=O)Cc1noc2ccccc21 ZINC000185849636 495749581 /nfs/dbraw/zinc/74/95/81/495749581.db2.gz GZKNGHPBURDAGG-NSHDSACASA-N -1 3 364.398 3.156 20 0 FGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)c2cc(F)c(F)c(F)c2)c1 ZINC000173972130 495769877 /nfs/dbraw/zinc/76/98/77/495769877.db2.gz LMLLCZTYFFTVAE-UHFFFAOYSA-N -1 3 358.341 3.036 20 0 FGADHM O=C(Nc1ccc(CNc2ccccc2)cc1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000176765005 495777323 /nfs/dbraw/zinc/77/73/23/495777323.db2.gz HUFYTTLXCUBISV-UHFFFAOYSA-N -1 3 371.396 3.435 20 0 FGADHM O=S(=O)([N-]CCc1ccccn1)c1cc2cc(Cl)ccc2s1 ZINC000176814102 495795891 /nfs/dbraw/zinc/79/58/91/495795891.db2.gz MPKOHBGKAUDUIA-UHFFFAOYSA-N -1 3 352.868 3.471 20 0 FGADHM O=C1CCCc2cc([N-]S(=O)(=O)c3ccc4c(c3)CCC4)ccc2N1 ZINC000171267715 495797182 /nfs/dbraw/zinc/79/71/82/495797182.db2.gz COTPOBHHCHOZIJ-UHFFFAOYSA-N -1 3 356.447 3.251 20 0 FGADHM Cc1cccc([O-])c1NC(=O)CNC(=O)c1ccccc1C(F)(F)F ZINC000183022500 495801811 /nfs/dbraw/zinc/80/18/11/495801811.db2.gz GLSIYJZQRJITNY-UHFFFAOYSA-N -1 3 352.312 3.088 20 0 FGADHM Cc1cccc([O-])c1NC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC000183037879 495808215 /nfs/dbraw/zinc/80/82/15/495808215.db2.gz MLVXUALECGAIBX-LLVKDONJSA-N -1 3 362.788 3.485 20 0 FGADHM O=S(=O)([N-][C@@H]([C@H](CO)C1CC1)C1CC1)c1ccc2ccccc2c1F ZINC000571750794 505805777 /nfs/dbraw/zinc/80/57/77/505805777.db2.gz GRWVWLHUECXQKX-VQIMIIECSA-N -1 3 363.454 3.054 20 0 FGADHM CSc1ccc(NC(=O)c2c(C)[n-]c(=O)nc2SC)cc1Cl ZINC000176871749 495819999 /nfs/dbraw/zinc/81/99/99/495819999.db2.gz AWWBUQXCYCELEM-UHFFFAOYSA-N -1 3 355.872 3.428 20 0 FGADHM Cc1cccc([O-])c1NC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1 ZINC000183079984 495825790 /nfs/dbraw/zinc/82/57/90/495825790.db2.gz YXHXADLYSCUMMK-UHFFFAOYSA-N -1 3 353.205 3.376 20 0 FGADHM COC(=O)c1nccc2c1cccc2S(=O)(=O)[N-]c1cccc(C)c1F ZINC000180024086 495827952 /nfs/dbraw/zinc/82/79/52/495827952.db2.gz VJWBOZJOZGAOAK-UHFFFAOYSA-N -1 3 374.393 3.270 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Br)c1ccccn1 ZINC000155119107 495842825 /nfs/dbraw/zinc/84/28/25/495842825.db2.gz REIHEXLZDBNSHJ-VIFPVBQESA-N -1 3 359.220 3.023 20 0 FGADHM C[C@@H]1CCN(C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)[C@H]1c1cccc(F)c1 ZINC000176978020 495866736 /nfs/dbraw/zinc/86/67/36/495866736.db2.gz JANZIHCIRHMSNV-PIGZYNQJSA-N -1 3 367.380 3.324 20 0 FGADHM C[C@@H]1CCN(C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)[C@@H]1c1cccc(F)c1 ZINC000176977991 495867420 /nfs/dbraw/zinc/86/74/20/495867420.db2.gz JANZIHCIRHMSNV-DIFFPNOSSA-N -1 3 367.380 3.324 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-][C@@H]1CCCOc2cc(F)ccc21 ZINC000180129188 495870477 /nfs/dbraw/zinc/87/04/77/495870477.db2.gz VTABIQXGXCEIFV-GFCCVEGCSA-N -1 3 357.428 3.088 20 0 FGADHM C[C@H](Sc1ccccn1)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000151543029 495872994 /nfs/dbraw/zinc/87/29/94/495872994.db2.gz GQXLKWKVXLUNCM-JTQLQIEISA-N -1 3 367.268 3.347 20 0 FGADHM O=C(CSc1nccc2ccccc21)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000160088325 495881692 /nfs/dbraw/zinc/88/16/92/495881692.db2.gz BTLINUUOYPYXHE-UHFFFAOYSA-N -1 3 362.418 3.146 20 0 FGADHM O=C(CSc1nccc2ccccc21)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000160088325 495881694 /nfs/dbraw/zinc/88/16/94/495881694.db2.gz BTLINUUOYPYXHE-UHFFFAOYSA-N -1 3 362.418 3.146 20 0 FGADHM O=C(NCc1ccc(F)cc1)C1CCN(Cc2cc([O-])cc(F)c2)CC1 ZINC000186183497 495887822 /nfs/dbraw/zinc/88/78/22/495887822.db2.gz VITLNKUMWIDIAY-UHFFFAOYSA-N -1 3 360.404 3.199 20 0 FGADHM C[C@H](CS(=O)(=O)[N-][C@@H](C)c1nc(C(C)(C)C)no1)c1ccccc1 ZINC000151601157 495890378 /nfs/dbraw/zinc/89/03/78/495890378.db2.gz WUNQSFSGWJETPV-OLZOCXBDSA-N -1 3 351.472 3.151 20 0 FGADHM O=C(CCCOc1ccc2c(c1)CCC(=O)N2)Nc1ccc([O-])cc1F ZINC000183250181 495899636 /nfs/dbraw/zinc/89/96/36/495899636.db2.gz IPZDTXXQTGVLTO-UHFFFAOYSA-N -1 3 358.369 3.214 20 0 FGADHM Cc1ccn2ncc(C(=O)[N-]c3nnc(CC4CCCCC4)s3)c2n1 ZINC000171492082 495899715 /nfs/dbraw/zinc/89/97/15/495899715.db2.gz IZKXJDARAXGPMT-UHFFFAOYSA-N -1 3 356.455 3.264 20 0 FGADHM CC(C)(C)OCc1cc(C[N-]S(=O)(=O)c2ccc(Cl)cc2)no1 ZINC000186219946 495901561 /nfs/dbraw/zinc/90/15/61/495901561.db2.gz HJFMSBASHQACSK-UHFFFAOYSA-N -1 3 358.847 3.122 20 0 FGADHM Cc1ccc(NC(=O)C[N-]S(=O)(=O)CC23CCC(CC2)C3)c(Cl)c1 ZINC000580684305 505813526 /nfs/dbraw/zinc/81/35/26/505813526.db2.gz YFKYMXUEJYXWQQ-UHFFFAOYSA-N -1 3 370.902 3.087 20 0 FGADHM O=C([O-])[C@H]1CCO[C@H]1C1CCN(CCSc2ccccc2F)CC1 ZINC000571769261 505811396 /nfs/dbraw/zinc/81/13/96/505811396.db2.gz XOJYNXWFZORMCX-YOEHRIQHSA-N -1 3 353.459 3.120 20 0 FGADHM CN(C)CCOc1ccc([N-]S(=O)(=O)c2ccccc2F)cc1Cl ZINC000174325982 495911361 /nfs/dbraw/zinc/91/13/61/495911361.db2.gz PHWWBKNFPDWWAX-UHFFFAOYSA-N -1 3 372.849 3.220 20 0 FGADHM CCOC(=O)c1cc(NC(=O)CSCc2cccc(Cl)c2)n[n-]1 ZINC000183288392 495916533 /nfs/dbraw/zinc/91/65/33/495916533.db2.gz QNNOTCMENRWYCR-UHFFFAOYSA-N -1 3 353.831 3.112 20 0 FGADHM CCOC(=O)c1cc(NC(=O)CSCc2cccc(Cl)c2)[n-]n1 ZINC000183288392 495916544 /nfs/dbraw/zinc/91/65/44/495916544.db2.gz QNNOTCMENRWYCR-UHFFFAOYSA-N -1 3 353.831 3.112 20 0 FGADHM CC(C)c1cc(C(=O)Nc2nnc(-c3ccccn3)[n-]2)nn1-c1ccccc1 ZINC000155341958 495926285 /nfs/dbraw/zinc/92/62/85/495926285.db2.gz HOAVADPNVAMCEM-UHFFFAOYSA-N -1 3 373.420 3.428 20 0 FGADHM CC(C)c1cc(C(=O)Nc2nc(-c3ccccn3)n[n-]2)nn1-c1ccccc1 ZINC000155341958 495926292 /nfs/dbraw/zinc/92/62/92/495926292.db2.gz HOAVADPNVAMCEM-UHFFFAOYSA-N -1 3 373.420 3.428 20 0 FGADHM CC(C)c1cc(C(=O)Nc2n[n-]c(-c3ccccn3)n2)nn1-c1ccccc1 ZINC000155341958 495926300 /nfs/dbraw/zinc/92/63/00/495926300.db2.gz HOAVADPNVAMCEM-UHFFFAOYSA-N -1 3 373.420 3.428 20 0 FGADHM CCS(=O)(=O)c1cccc(CC(=O)N2CC[C@@H](C)c3cccc([O-])c32)c1 ZINC000186286549 495928717 /nfs/dbraw/zinc/92/87/17/495928717.db2.gz FCDPFZNMVGJFCV-CQSZACIVSA-N -1 3 373.474 3.269 20 0 FGADHM C[C@H]1CCN(C(=O)c2ccc(-n3cnnn3)cc2Cl)c2c([O-])cccc21 ZINC000186306174 495938966 /nfs/dbraw/zinc/93/89/66/495938966.db2.gz UBBIDHQGSDEBCL-NSHDSACASA-N -1 3 369.812 3.175 20 0 FGADHM CC(C)(C)CCCCNC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000171598283 495943721 /nfs/dbraw/zinc/94/37/21/495943721.db2.gz FPPFCZKACVQNBI-UHFFFAOYSA-N -1 3 361.486 3.076 20 0 FGADHM CC(C)(C)C(=O)NC[C@@H]1CCCN(C(=O)c2ccc3c(c2[O-])CCCC3)C1 ZINC000186334092 495953722 /nfs/dbraw/zinc/95/37/22/495953722.db2.gz VIXBTFRGGOQAMG-HNNXBMFYSA-N -1 3 372.509 3.286 20 0 FGADHM CCOC(=O)CN(CC)Cc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000171635164 495958059 /nfs/dbraw/zinc/95/80/59/495958059.db2.gz LSTQLUOIPSXUDX-UHFFFAOYSA-N -1 3 371.462 3.037 20 0 FGADHM CC(C)n1cnc(S(=O)(=O)[N-][C@@H]2CCSc3c(F)cccc32)c1 ZINC000151819479 495959816 /nfs/dbraw/zinc/95/98/16/495959816.db2.gz DDZFINOQEOBTFO-CYBMUJFWSA-N -1 3 355.460 3.119 20 0 FGADHM Cc1cc(CN2CCN(C(=O)c3ccc([O-])cc3)CC2)c2ccccc2n1 ZINC000177181251 495963950 /nfs/dbraw/zinc/96/39/50/495963950.db2.gz VYYJYANQNGQUCG-UHFFFAOYSA-N -1 3 361.445 3.207 20 0 FGADHM CC(C)n1cnc(S(=O)(=O)[N-][C@H](C)c2cccc(OC(F)F)c2)c1 ZINC000151860833 495972653 /nfs/dbraw/zinc/97/26/53/495972653.db2.gz SMWRZOUXTXCQCC-LLVKDONJSA-N -1 3 359.398 3.105 20 0 FGADHM CC(C)[C@@H](NC(=O)NCc1ccc([O-])c(F)c1)c1ccc2c(c1)OCCO2 ZINC000155524196 495982377 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FGADHM C[C@H](Oc1ccc(C(F)(F)F)cc1)C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000187735236 496551511 /nfs/dbraw/zinc/55/15/11/496551511.db2.gz ICLHVWRKVPDAPH-VIFPVBQESA-N -1 3 366.299 3.490 20 0 FGADHM Cc1nc(Cc2noc(-c3cc(OCc4ccccc4)ccc3[O-])n2)no1 ZINC000184840896 496552737 /nfs/dbraw/zinc/55/27/37/496552737.db2.gz ZDIJURYIJYKRAM-UHFFFAOYSA-N -1 3 364.361 3.303 20 0 FGADHM CN(Cc1cnn(-c2ccccc2)c1)C(=O)NCc1ccc([O-])c(F)c1 ZINC000163760209 496555424 /nfs/dbraw/zinc/55/54/24/496555424.db2.gz HQBJBNWMFNDVKU-UHFFFAOYSA-N -1 3 354.385 3.059 20 0 FGADHM COc1ccccc1-c1nc(NC(=O)[C@H]2COc3cc(C)c(C)cc32)n[n-]1 ZINC000184862446 496562297 /nfs/dbraw/zinc/56/22/97/496562297.db2.gz NWKLQZQCSWEEHL-HNNXBMFYSA-N -1 3 364.405 3.212 20 0 FGADHM COc1ccccc1SC[C@@H](C)CNC(=O)c1cccc2nn[n-]c21 ZINC000187775755 496567373 /nfs/dbraw/zinc/56/73/73/496567373.db2.gz YCQXSDYGMHEOFO-LBPRGKRZSA-N -1 3 356.451 3.125 20 0 FGADHM COc1ccccc1SC[C@@H](C)CNC(=O)c1cccc2[n-]nnc21 ZINC000187775755 496567380 /nfs/dbraw/zinc/56/73/80/496567380.db2.gz YCQXSDYGMHEOFO-LBPRGKRZSA-N -1 3 356.451 3.125 20 0 FGADHM COc1ccccc1SC[C@@H](C)CNC(=O)c1cccc2n[n-]nc21 ZINC000187775755 496567388 /nfs/dbraw/zinc/56/73/88/496567388.db2.gz YCQXSDYGMHEOFO-LBPRGKRZSA-N -1 3 356.451 3.125 20 0 FGADHM O=C(COc1cccc(N2CCCC2=O)c1)Nc1c([O-])cccc1Cl ZINC000571947477 505852182 /nfs/dbraw/zinc/85/21/82/505852182.db2.gz NMCRSDOGDAXJLK-UHFFFAOYSA-N -1 3 360.797 3.190 20 0 FGADHM COCCN(CC(C)C)C(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000187796509 496575486 /nfs/dbraw/zinc/57/54/86/496575486.db2.gz AKDZRHHJCSOOTJ-UHFFFAOYSA-N -1 3 355.434 3.368 20 0 FGADHM COc1ccc(NC(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000153776453 496575969 /nfs/dbraw/zinc/57/59/69/496575969.db2.gz NTAVJYUXETUUFI-UHFFFAOYSA-N -1 3 351.200 3.485 20 0 FGADHM O=S(=O)(C[C@H]1CCCO1)[N-]c1ccc(Sc2ccncc2)cc1 ZINC000178802729 496577061 /nfs/dbraw/zinc/57/70/61/496577061.db2.gz WYMBHWYQEJMIAJ-CQSZACIVSA-N -1 3 350.465 3.154 20 0 FGADHM C/C=C/C[C@@H](CO)[N-]S(=O)(=O)c1cc(Cl)ccc1OCCC1CC1 ZINC000187799211 496577291 /nfs/dbraw/zinc/57/72/91/496577291.db2.gz SNISIFVINHOEFL-FAAWYNLUSA-N -1 3 373.902 3.124 20 0 FGADHM Cc1ccc(-c2nnc(NC(=O)c3cc4cnn(C(C)C)c4nc3C)[n-]2)o1 ZINC000181875876 496582257 /nfs/dbraw/zinc/58/22/57/496582257.db2.gz RLJYYZNZJJYWAL-UHFFFAOYSA-N -1 3 365.397 3.259 20 0 FGADHM Cc1ccc(-c2n[n-]c(NC(=O)c3cc4cnn(C(C)C)c4nc3C)n2)o1 ZINC000181875876 496582265 /nfs/dbraw/zinc/58/22/65/496582265.db2.gz RLJYYZNZJJYWAL-UHFFFAOYSA-N -1 3 365.397 3.259 20 0 FGADHM Cc1ccc(-c2nc(NC(=O)c3cc4cnn(C(C)C)c4nc3C)n[n-]2)o1 ZINC000181875876 496582274 /nfs/dbraw/zinc/58/22/74/496582274.db2.gz RLJYYZNZJJYWAL-UHFFFAOYSA-N -1 3 365.397 3.259 20 0 FGADHM COC(=O)CCCc1nnc([N-]C(=O)c2cc3cc(C)ccc3o2)s1 ZINC000157915460 496584561 /nfs/dbraw/zinc/58/45/61/496584561.db2.gz DUJVWUYCYWLMCU-UHFFFAOYSA-N -1 3 359.407 3.341 20 0 FGADHM CS[C@@H](C)C[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000157953750 496593540 /nfs/dbraw/zinc/59/35/40/496593540.db2.gz NLJWGSBDLWAUMH-ZETCQYMHSA-N -1 3 358.710 3.132 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1c(F)cccc1F)c1ccc(-n2cccn2)cc1 ZINC000173232284 496604483 /nfs/dbraw/zinc/60/44/83/496604483.db2.gz LWVFWTLSOIOUQD-LBPRGKRZSA-N -1 3 363.389 3.190 20 0 FGADHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1)c1nc(C)cs1 ZINC000181987518 496624843 /nfs/dbraw/zinc/62/48/43/496624843.db2.gz GRZWZQJAYKFZDS-SNVBAGLBSA-N -1 3 365.402 3.295 20 0 FGADHM C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)N1CCC[C@H](C(=O)[O-])C1 ZINC000164686138 496627652 /nfs/dbraw/zinc/62/76/52/496627652.db2.gz HCCDVEFZINMGAC-APWZRJJASA-N -1 3 366.461 3.077 20 0 FGADHM COCc1c(C(=O)[N-]c2nnc(C(C)C)s2)cnn1-c1ccccc1 ZINC000185067847 496645766 /nfs/dbraw/zinc/64/57/66/496645766.db2.gz VLRMGUWRCNPUKV-UHFFFAOYSA-N -1 3 357.439 3.246 20 0 FGADHM Cc1c2ccc3ccccc3c2oc1C(=O)N1CCc2nc[n-]c(=O)c2C1 ZINC000179048292 496657908 /nfs/dbraw/zinc/65/79/08/496657908.db2.gz XHRPEXUVBFZVHB-UHFFFAOYSA-N -1 3 359.385 3.176 20 0 FGADHM CCc1ccccc1S(=O)(=O)[N-]c1ccc([C@@H](C)N2CCOCC2)cc1 ZINC000188035989 496658271 /nfs/dbraw/zinc/65/82/71/496658271.db2.gz CBRXMADGXWYOGT-MRXNPFEDSA-N -1 3 374.506 3.443 20 0 FGADHM CCc1cc(=O)[n-]c(CN[C@H](C)c2ccc(OC)c(Br)c2)n1 ZINC000182070205 496658774 /nfs/dbraw/zinc/65/87/74/496658774.db2.gz HTMQAGSXOAMKOI-SNVBAGLBSA-N -1 3 366.259 3.367 20 0 FGADHM C[C@@H](c1ccsc1)N1CCN(C(=O)c2c[n-]c3ccccc3c2=O)CC1 ZINC000158345817 496681199 /nfs/dbraw/zinc/68/11/99/496681199.db2.gz XQOWYXAVYNHZDP-AWEZNQCLSA-N -1 3 367.474 3.109 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)[C@@H]1COc2ccccc21 ZINC000167590240 496704021 /nfs/dbraw/zinc/70/40/21/496704021.db2.gz YQLXAKOWQWNFER-GWCFXTLKSA-N -1 3 355.818 3.322 20 0 FGADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1cc(Cl)ccc1OC(F)F ZINC000176155121 496706917 /nfs/dbraw/zinc/70/69/17/496706917.db2.gz NBZKNNBZXZXMGP-UHFFFAOYSA-N -1 3 356.638 3.331 20 0 FGADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1cc(Cl)ccc1OC(F)F ZINC000176155121 496706922 /nfs/dbraw/zinc/70/69/22/496706922.db2.gz NBZKNNBZXZXMGP-UHFFFAOYSA-N -1 3 356.638 3.331 20 0 FGADHM CN(CCCc1cc(-c2ccccc2)n(C)n1)C(=O)c1ccc(O)cc1[O-] ZINC000182247196 496719111 /nfs/dbraw/zinc/71/91/11/496719111.db2.gz ADVPKLBODDKABJ-UHFFFAOYSA-N -1 3 365.433 3.203 20 0 FGADHM COCc1nsc([N-]C(=O)c2ccc(C(F)(F)F)nc2Cl)n1 ZINC000273197187 496737052 /nfs/dbraw/zinc/73/70/52/496737052.db2.gz IGCJAUNHHUGIOD-UHFFFAOYSA-N -1 3 352.725 3.004 20 0 FGADHM COC(=O)CCSc1ncccc1[N-]C(=O)c1sccc1OC ZINC000273200038 496738004 /nfs/dbraw/zinc/73/80/04/496738004.db2.gz IKHKJRCMGGBERD-UHFFFAOYSA-N -1 3 352.437 3.059 20 0 FGADHM CCc1cc(=O)[n-]c(CSCC(=O)Nc2ccccc2OC(F)F)n1 ZINC000268577334 496739540 /nfs/dbraw/zinc/73/95/40/496739540.db2.gz JMHIXWHSNCRKLB-UHFFFAOYSA-N -1 3 369.393 3.218 20 0 FGADHM COc1ccccc1/C=C(/C(=O)[N-]OC[C@H]1CCOC1)c1ccccc1 ZINC000188316114 496750453 /nfs/dbraw/zinc/75/04/53/496750453.db2.gz MXTCFQCJKVVLLM-HUCUOGIVSA-N -1 3 353.418 3.320 20 0 FGADHM CCc1ccc(C(=O)N2CCOC[C@@H]2CC(=O)c2ccccc2)c([O-])c1 ZINC000188332367 496755424 /nfs/dbraw/zinc/75/54/24/496755424.db2.gz VNYQUUTXYAFECM-KRWDZBQOSA-N -1 3 353.418 3.069 20 0 FGADHM O=C([N-]c1nnc(C(F)F)s1)c1ccc(OCC(F)(F)F)cn1 ZINC000277390397 496758142 /nfs/dbraw/zinc/75/81/42/496758142.db2.gz JBLTXPVEVITAJS-UHFFFAOYSA-N -1 3 354.260 3.064 20 0 FGADHM O=C(c1cc(F)cc2[n-]nnc21)N1CCCN(c2ccccc2Cl)CC1 ZINC000580901734 505864170 /nfs/dbraw/zinc/86/41/70/505864170.db2.gz CJCGOEPQHKISGC-UHFFFAOYSA-N -1 3 373.819 3.103 20 0 FGADHM O=C(c1cc(F)cc2nn[n-]c21)N1CCCN(c2ccccc2Cl)CC1 ZINC000580901734 505864171 /nfs/dbraw/zinc/86/41/71/505864171.db2.gz CJCGOEPQHKISGC-UHFFFAOYSA-N -1 3 373.819 3.103 20 0 FGADHM O=C(c1cc(F)cc2n[n-]nc21)N1CCCN(c2ccccc2Cl)CC1 ZINC000580901734 505864174 /nfs/dbraw/zinc/86/41/74/505864174.db2.gz CJCGOEPQHKISGC-UHFFFAOYSA-N -1 3 373.819 3.103 20 0 FGADHM Cc1nc(C2([N-]S(=O)(=O)Cc3ccccc3Cl)CCCCC2)no1 ZINC000263920770 496764147 /nfs/dbraw/zinc/76/41/47/496764147.db2.gz PFIRWKRMOGRIEX-UHFFFAOYSA-N -1 3 369.874 3.310 20 0 FGADHM CC(C)(C)[C@@H](CNCc1cn(-c2ccc(F)c(Cl)c2)nn1)CC(=O)[O-] ZINC000277409889 496764806 /nfs/dbraw/zinc/76/48/06/496764806.db2.gz SKDQRBGQZRDBIF-LLVKDONJSA-N -1 3 368.840 3.286 20 0 FGADHM COc1ccc(CNC[C@@H](Cc2ccccc2C)C(=O)[O-])c(OC)c1OC ZINC000277456889 496779324 /nfs/dbraw/zinc/77/93/24/496779324.db2.gz VIQSBDYYEIZKCA-QGZVFWFLSA-N -1 3 373.449 3.054 20 0 FGADHM Cc1ccc([O-])c(-c2nc([C@@H]3CN(Cc4ccccc4)CCO3)no2)c1 ZINC000273383371 496789870 /nfs/dbraw/zinc/78/98/70/496789870.db2.gz GHCVBTZNENDNRK-SFHVURJKSA-N -1 3 351.406 3.324 20 0 FGADHM CC(C)c1ccc(C(=O)NCCNC(=O)c2ccc([O-])cc2)cc1Cl ZINC000188445134 496792315 /nfs/dbraw/zinc/79/23/15/496792315.db2.gz NLKDPPFSXVYHTC-UHFFFAOYSA-N -1 3 360.841 3.329 20 0 FGADHM CCn1cc(NC(=O)c2ccc(C(=O)c3cccc([O-])c3)cc2)ccc1=O ZINC000188453394 496795122 /nfs/dbraw/zinc/79/51/22/496795122.db2.gz SOHDYPNDMLQQIT-UHFFFAOYSA-N -1 3 362.385 3.057 20 0 FGADHM CC(=O)c1ccc(NC([O-])=NOC[C@@H](C)NC(=O)OC(C)(C)C)cc1C ZINC000273406014 496797011 /nfs/dbraw/zinc/79/70/11/496797011.db2.gz HESFSFZWDHXADL-GFCCVEGCSA-N -1 3 365.430 3.164 20 0 FGADHM CC(=O)c1ccc(NC(=O)[N-]OC[C@@H](C)NC(=O)OC(C)(C)C)cc1C ZINC000273406014 496797017 /nfs/dbraw/zinc/79/70/17/496797017.db2.gz HESFSFZWDHXADL-GFCCVEGCSA-N -1 3 365.430 3.164 20 0 FGADHM CCOc1ccc(NC([O-])=NOC[C@H](C)NC(=O)OC(C)(C)C)cc1 ZINC000273429591 496803715 /nfs/dbraw/zinc/80/37/15/496803715.db2.gz LKERTVNKMSEHCQ-LBPRGKRZSA-N -1 3 353.419 3.052 20 0 FGADHM CCOc1ccc(NC(=O)[N-]OC[C@H](C)NC(=O)OC(C)(C)C)cc1 ZINC000273429591 496803718 /nfs/dbraw/zinc/80/37/18/496803718.db2.gz LKERTVNKMSEHCQ-LBPRGKRZSA-N -1 3 353.419 3.052 20 0 FGADHM COc1cc(C[NH2+][C@@H](CC(=O)[O-])C(C)(C)C)cc(Br)c1[O-] ZINC000277538157 496806106 /nfs/dbraw/zinc/80/61/06/496806106.db2.gz ZNBHTFIGACVAMI-LBPRGKRZSA-N -1 3 360.248 3.142 20 0 FGADHM CCc1ccc(C(=O)N2CCC[C@H](C3N=NC(=S)N3C3CC3)C2)c([O-])c1 ZINC000191569499 496815899 /nfs/dbraw/zinc/81/58/99/496815899.db2.gz CUNOUUXDGYUQKR-ZDUSSCGKSA-N -1 3 372.494 3.190 20 0 FGADHM COc1ccc([O-])c(-c2nc(C[C@@H](C)N(C)C(=O)OC(C)(C)C)no2)c1 ZINC000273491173 496821564 /nfs/dbraw/zinc/82/15/64/496821564.db2.gz WAHMCVYQVUJMNO-LLVKDONJSA-N -1 3 363.414 3.249 20 0 FGADHM CN(CC(=O)[N-]OCc1ccccc1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273559011 496839720 /nfs/dbraw/zinc/83/97/20/496839720.db2.gz WLCKFLDUVSPAOF-WOJBJXKFSA-N -1 3 372.440 3.226 20 0 FGADHM C[C@@H](NC(=O)c1cc([O-])ccc1C(F)(F)F)c1ccc(NC(N)=O)cc1 ZINC000188625529 496856260 /nfs/dbraw/zinc/85/62/60/496856260.db2.gz ISHJVYIFJLJHNR-SECBINFHSA-N -1 3 367.327 3.393 20 0 FGADHM O=c1nc(Cc2noc(-c3cscn3)n2)[n-]c2scc(C3CC3)c21 ZINC000273715363 496883276 /nfs/dbraw/zinc/88/32/76/496883276.db2.gz IOYJAQPMKPJKAU-UHFFFAOYSA-N -1 3 357.420 3.372 20 0 FGADHM CC(=O)c1cccc(C(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)c1 ZINC000269181911 496888155 /nfs/dbraw/zinc/88/81/55/496888155.db2.gz BRUQSAIPXDXOJF-UHFFFAOYSA-N -1 3 366.417 3.086 20 0 FGADHM CC(C)C[C@H](C)OCCc1nc(-c2ccc([N-]S(C)(=O)=O)cc2)no1 ZINC000273734891 496889240 /nfs/dbraw/zinc/88/92/40/496889240.db2.gz NFEILLVXZKSGFZ-ZDUSSCGKSA-N -1 3 367.471 3.102 20 0 FGADHM C[C@H](Cc1ccc(F)c(Br)c1)[N-]S(=O)(=O)c1ccco1 ZINC000188769678 496903161 /nfs/dbraw/zinc/90/31/61/496903161.db2.gz AFUSWGODKYHLJI-SECBINFHSA-N -1 3 362.220 3.091 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)c1ccc(C(=O)c2cccc(O)c2)cc1 ZINC000188780173 496907139 /nfs/dbraw/zinc/90/71/39/496907139.db2.gz IMMXPNOJYQHBHB-UHFFFAOYSA-N -1 3 365.360 3.398 20 0 FGADHM COc1cc(C(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)ccc1F ZINC000269264909 496907986 /nfs/dbraw/zinc/90/79/86/496907986.db2.gz LIYZSILBCCESAK-UHFFFAOYSA-N -1 3 372.396 3.031 20 0 FGADHM O=C(N[C@@H]1c2ccccc2C[C@H]1O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000188788401 496909159 /nfs/dbraw/zinc/90/91/59/496909159.db2.gz FHEMOWBJHCXFRG-NHCUHLMSSA-N -1 3 373.408 3.011 20 0 FGADHM CCCCc1nc(C(=O)OCC)c(NC(=O)c2ccc(SC)o2)[n-]1 ZINC000191962030 496945103 /nfs/dbraw/zinc/94/51/03/496945103.db2.gz GXAHRWRKJIXVCE-UHFFFAOYSA-N -1 3 351.428 3.496 20 0 FGADHM CCCCc1nc(NC(=O)c2ccc(SC)o2)c(C(=O)OCC)[n-]1 ZINC000191962030 496945107 /nfs/dbraw/zinc/94/51/07/496945107.db2.gz GXAHRWRKJIXVCE-UHFFFAOYSA-N -1 3 351.428 3.496 20 0 FGADHM CC(C)(C)c1nnsc1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000191959902 496945361 /nfs/dbraw/zinc/94/53/61/496945361.db2.gz UJOYUSOEROVVAR-UHFFFAOYSA-N -1 3 370.272 3.234 20 0 FGADHM CCCCc1nc(C(=O)OCC)c(NC(=O)C2C[C@@H](C)O[C@H](C)C2)[n-]1 ZINC000191964986 496946189 /nfs/dbraw/zinc/94/61/89/496946189.db2.gz HMLFXXJZLHOPGU-VXGBXAGGSA-N -1 3 351.447 3.071 20 0 FGADHM CCCCc1nc(NC(=O)C2C[C@@H](C)O[C@H](C)C2)c(C(=O)OCC)[n-]1 ZINC000191964986 496946193 /nfs/dbraw/zinc/94/61/93/496946193.db2.gz HMLFXXJZLHOPGU-VXGBXAGGSA-N -1 3 351.447 3.071 20 0 FGADHM CCOc1cc(C(=O)N[C@@H](C)c2n[nH]c(C(C)C)n2)cc(Cl)c1[O-] ZINC000273889383 496947042 /nfs/dbraw/zinc/94/70/42/496947042.db2.gz VBLUPBIGOPKSKO-VIFPVBQESA-N -1 3 352.822 3.177 20 0 FGADHM C[C@H]1Oc2ccc(NC(=O)c3cc([O-])ccc3C(F)(F)F)cc2NC1=O ZINC000188928594 496951476 /nfs/dbraw/zinc/95/14/76/496951476.db2.gz YTVOGYUDRRRIIB-MRVPVSSYSA-N -1 3 366.295 3.383 20 0 FGADHM CCOC(=O)c1c(C)c(C(C)=O)sc1[N-]C(=O)c1snnc1CC ZINC000264665395 496958063 /nfs/dbraw/zinc/95/80/63/496958063.db2.gz UJVBJHIFNMZFPC-UHFFFAOYSA-N -1 3 367.452 3.102 20 0 FGADHM CCC1(CO)CCN(C(=O)c2ccc(C(=O)c3cccc([O-])c3)cc2)CC1 ZINC000188959862 496961036 /nfs/dbraw/zinc/96/10/36/496961036.db2.gz YHUXOETWVOPANR-UHFFFAOYSA-N -1 3 367.445 3.248 20 0 FGADHM Cc1ccc(NC(=O)c2n[n-]nc2-c2ccccc2)cc1C(=O)NC(C)C ZINC000188963483 496962157 /nfs/dbraw/zinc/96/21/57/496962157.db2.gz BACACVVZFKGPGD-UHFFFAOYSA-N -1 3 363.421 3.171 20 0 FGADHM Cc1ccc(C(=O)N2CCC(C3N=NC(=S)N3C3CC3)CC2)c([O-])c1C ZINC000264680941 496963439 /nfs/dbraw/zinc/96/34/39/496963439.db2.gz PMAGLAAGOCCLQN-UHFFFAOYSA-N -1 3 372.494 3.244 20 0 FGADHM O=c1[nH]c(CC(F)(F)F)c([O-])n1-c1ccc(N2CCCC2)c(Cl)c1 ZINC000277994926 496965098 /nfs/dbraw/zinc/96/50/98/496965098.db2.gz FNAQZXWGWKRDNV-NSHDSACASA-N -1 3 361.751 3.317 20 0 FGADHM O=C(NCc1ccc(N2CCCC2)nc1)c1cc([O-])ccc1C(F)(F)F ZINC000189024459 496981991 /nfs/dbraw/zinc/98/19/91/496981991.db2.gz KFFHPWYLUURSLA-UHFFFAOYSA-N -1 3 365.355 3.336 20 0 FGADHM O=C(CCc1ccc(Cl)c(Cl)c1)N1CCc2nc[n-]c(=O)c2C1 ZINC000269654332 496984569 /nfs/dbraw/zinc/98/45/69/496984569.db2.gz AUTLSRQEPMIWDI-UHFFFAOYSA-N -1 3 352.221 3.007 20 0 FGADHM C[C@@H](Sc1n[n-]c(-c2ccccn2)n1)c1nnnn1C1CCCCC1 ZINC000189035392 496985524 /nfs/dbraw/zinc/98/55/24/496985524.db2.gz OUGITCBWQDMGGT-LLVKDONJSA-N -1 3 356.459 3.212 20 0 FGADHM CCc1ccc(C(=O)N(CC)CC(=O)Nc2cccc(OC)c2)c([O-])c1 ZINC000189074641 496999226 /nfs/dbraw/zinc/99/92/26/496999226.db2.gz GOBMUNHCESBHNA-UHFFFAOYSA-N -1 3 356.422 3.064 20 0 FGADHM CC(C)c1ccc(-c2nc(CC(=O)NCCc3ccccc3)no2)c([O-])c1 ZINC000278087665 497000352 /nfs/dbraw/zinc/00/03/52/497000352.db2.gz XKDWYGBKBYBJOP-UHFFFAOYSA-N -1 3 365.433 3.467 20 0 FGADHM [O-]c1c(Br)cc(CNC[C@H]2CCCO2)cc1Br ZINC000218358017 497002706 /nfs/dbraw/zinc/00/27/06/497002706.db2.gz SNWDPKNEIPRSGO-SECBINFHSA-N -1 3 365.065 3.186 20 0 FGADHM CCc1ccc(C(=O)N(C)CC(=O)Nc2ccccc2SC)c([O-])c1 ZINC000189135610 497019900 /nfs/dbraw/zinc/01/99/00/497019900.db2.gz OJENQTVUVPCXQQ-UHFFFAOYSA-N -1 3 358.463 3.387 20 0 FGADHM O=C(N[C@@H]1CCO[C@@H](C2CC2)C1)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000189138047 497021123 /nfs/dbraw/zinc/02/11/23/497021123.db2.gz ZRUDEMIXQPPJNG-UYAOXDASSA-N -1 3 365.429 3.311 20 0 FGADHM O=S(=O)([N-][C@H]1CCO[C@H](c2ccccc2)C1)c1cc(F)c(F)c(F)c1 ZINC000274141267 497026499 /nfs/dbraw/zinc/02/64/99/497026499.db2.gz CBUGLTBQTXNSLG-LRDDRELGSA-N -1 3 371.380 3.303 20 0 FGADHM CC(C)CO[C@H](C)c1noc(CN2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)n1 ZINC000248563306 497041141 /nfs/dbraw/zinc/04/11/41/497041141.db2.gz OMRLVCALBZONRA-KBXIAJHMSA-N -1 3 351.447 3.021 20 0 FGADHM Cn1cnc(-c2cccc(NC(=O)c3cc([O-])ccc3C(F)(F)F)c2)n1 ZINC000192240665 497045135 /nfs/dbraw/zinc/04/51/35/497045135.db2.gz GDORMDVWUNOUNV-UHFFFAOYSA-N -1 3 362.311 3.459 20 0 FGADHM Cc1cc(F)c(S(=O)(=O)[N-]C[C@@H]2CCO[C@H]2c2ccccc2)cc1F ZINC000192266792 497054884 /nfs/dbraw/zinc/05/48/84/497054884.db2.gz IGHYGYFZDGCOTL-KSSFIOAISA-N -1 3 367.417 3.329 20 0 FGADHM CC[C@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)c1ccc(OC)c(OC)c1 ZINC000569219219 505881751 /nfs/dbraw/zinc/88/17/51/505881751.db2.gz OETVWHJFTAPYDS-HNNXBMFYSA-N -1 3 366.417 3.426 20 0 FGADHM O=c1cc(C(F)(F)F)nc(C[S@](=O)Cc2ccc3c(c2)CCC3)[n-]1 ZINC000270114986 497060702 /nfs/dbraw/zinc/06/07/02/497060702.db2.gz HSXQWYBZIIUNBA-XMMPIXPASA-N -1 3 356.369 3.139 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1)c1nc(C(F)(F)F)cs1 ZINC000278301389 497067118 /nfs/dbraw/zinc/06/71/18/497067118.db2.gz CPMILHYEILLIFE-SSDOTTSWSA-N -1 3 354.350 3.341 20 0 FGADHM Cc1cc([N-]C(=O)[C@H](C)Nc2cccc3c2CN(c2ccccn2)C3)on1 ZINC000270159835 497068888 /nfs/dbraw/zinc/06/88/88/497068888.db2.gz YFYYCWQZKOGCNS-AWEZNQCLSA-N -1 3 363.421 3.337 20 0 FGADHM O=C(c1cc([O-])ccc1C(F)(F)F)N1CCO[C@@H](c2cccc(O)c2)C1 ZINC000189313591 497078158 /nfs/dbraw/zinc/07/81/58/497078158.db2.gz CXUKGEUZXKQCMQ-MRXNPFEDSA-N -1 3 367.323 3.330 20 0 FGADHM C[C@@H]1CC[C@H](C(=O)[O-])CN1Cc1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC000578192240 505883309 /nfs/dbraw/zinc/88/33/09/505883309.db2.gz INOKIMBTJYOXBC-KGLIPLIRSA-N -1 3 357.429 3.185 20 0 FGADHM O=C(N[C@@H]1C[C@@H]2OCCC[C@H]12)c1cc(OCc2ccccc2)ccc1[O-] ZINC000189317252 497080024 /nfs/dbraw/zinc/08/00/24/497080024.db2.gz XPIDKXWXQSFNBE-POAQFYNOSA-N -1 3 353.418 3.269 20 0 FGADHM Cc1ccc(-c2c[nH]cc2C(=O)NCc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000189333603 497084918 /nfs/dbraw/zinc/08/49/18/497084918.db2.gz JEPLBHJEOKWIIQ-UHFFFAOYSA-N -1 3 364.434 3.162 20 0 FGADHM Cc1ccc(-c2c[nH]cc2C(=O)NCc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000189333603 497084924 /nfs/dbraw/zinc/08/49/24/497084924.db2.gz JEPLBHJEOKWIIQ-UHFFFAOYSA-N -1 3 364.434 3.162 20 0 FGADHM C[C@H]1CC[C@H](C(=O)[O-])CN1Cc1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC000578192239 505883655 /nfs/dbraw/zinc/88/36/55/505883655.db2.gz INOKIMBTJYOXBC-KBPBESRZSA-N -1 3 357.429 3.185 20 0 FGADHM CCn1nccc1S(=O)(=O)[N-]c1c(C)cc(C)cc1Br ZINC000274407786 497090926 /nfs/dbraw/zinc/09/09/26/497090926.db2.gz GELOURYEGDRYSQ-UHFFFAOYSA-N -1 3 358.261 3.083 20 0 FGADHM Cc1ncc(S(=O)(=O)[N-][C@@H](C)c2ccc(Br)cc2)s1 ZINC000229627669 497099741 /nfs/dbraw/zinc/09/97/41/497099741.db2.gz AFGUCYVYNMGYEV-QMMMGPOBSA-N -1 3 361.286 3.254 20 0 FGADHM COc1ccc(Br)cc1S(=O)(=O)[N-]C[C@@H]1CCC[C@H]1C ZINC000230711035 497106604 /nfs/dbraw/zinc/10/66/04/497106604.db2.gz CMQKIPLNCGJODW-MNOVXSKESA-N -1 3 362.289 3.172 20 0 FGADHM C[C@@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000230710902 497106870 /nfs/dbraw/zinc/10/68/70/497106870.db2.gz APLXNARKAJLTCN-NXEZZACHSA-N -1 3 350.253 3.303 20 0 FGADHM Cc1cc(N2CCC(C(=O)Nc3ccccc3[O-])CC2)nc(C2CC2)n1 ZINC000265397976 497114831 /nfs/dbraw/zinc/11/48/31/497114831.db2.gz XBZSGPSMOZWXAN-UHFFFAOYSA-N -1 3 352.438 3.223 20 0 FGADHM COC(=O)c1cc(CN(C)C(=O)c2cc([O-])ccc2C(F)(F)F)oc1C ZINC000192452964 497119830 /nfs/dbraw/zinc/11/98/30/497119830.db2.gz TWBIRHGGTYLDAG-UHFFFAOYSA-N -1 3 371.311 3.371 20 0 FGADHM Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)CNC(=O)c2cccc([O-])c2)o1 ZINC000274543743 497122510 /nfs/dbraw/zinc/12/25/10/497122510.db2.gz VAHVBLLBCPVQJK-DYVFJYSZSA-N -1 3 356.422 3.023 20 0 FGADHM CC[C@@H](C)N(CC(=O)[O-])Cc1ccc(OC)c(OC)c1Br ZINC000236856379 497157914 /nfs/dbraw/zinc/15/79/14/497157914.db2.gz XZLPECHGCZLYCS-SNVBAGLBSA-N -1 3 360.248 3.151 20 0 FGADHM COC(=O)c1sc2[n-]c(CN(C)[C@@H]3CCCC[C@@H]3C)nc(=O)c2c1C ZINC000192625161 497166774 /nfs/dbraw/zinc/16/67/74/497166774.db2.gz NZYPGDMQDSKXDD-CMPLNLGQSA-N -1 3 363.483 3.090 20 0 FGADHM Cc1cccnc1C(F)(F)C(=O)[N-]C1(c2cccc(F)c2)CCOCC1 ZINC000192635631 497170295 /nfs/dbraw/zinc/17/02/95/497170295.db2.gz CCQRQVUGCYWKLQ-UHFFFAOYSA-N -1 3 364.367 3.443 20 0 FGADHM Cc1ccc(NC([O-])=NO[C@H]2CCCCO2)cc1OCC1CCOCC1 ZINC000274849577 497181018 /nfs/dbraw/zinc/18/10/18/497181018.db2.gz QSAHCWBRHQQIHD-SFHVURJKSA-N -1 3 364.442 3.380 20 0 FGADHM Cc1ccc(NC(=O)[N-]O[C@H]2CCCCO2)cc1OCC1CCOCC1 ZINC000274849577 497181022 /nfs/dbraw/zinc/18/10/22/497181022.db2.gz QSAHCWBRHQQIHD-SFHVURJKSA-N -1 3 364.442 3.380 20 0 FGADHM COc1cc(NC2CCN([C@H](C)c3nc(C)cc(=O)[n-]3)CC2)cc(OC)c1 ZINC000192687003 497184760 /nfs/dbraw/zinc/18/47/60/497184760.db2.gz FOFBUVWOHUPKQX-CQSZACIVSA-N -1 3 372.469 3.145 20 0 FGADHM CCN(CC)C(=O)c1ccc(NC([O-])=NO[C@@H]2CCCCO2)cc1Cl ZINC000274924725 497199100 /nfs/dbraw/zinc/19/91/00/497199100.db2.gz PRHAXPKDRHCMKG-OAHLLOKOSA-N -1 3 369.849 3.402 20 0 FGADHM CCN(CC)C(=O)c1ccc(NC(=O)[N-]O[C@@H]2CCCCO2)cc1Cl ZINC000274924725 497199106 /nfs/dbraw/zinc/19/91/06/497199106.db2.gz PRHAXPKDRHCMKG-OAHLLOKOSA-N -1 3 369.849 3.402 20 0 FGADHM Cc1noc(C)c1CSc1ncccc1C(=O)Nc1ncccc1[O-] ZINC000192735531 497199186 /nfs/dbraw/zinc/19/91/86/497199186.db2.gz XMNPXNFLMORNDZ-UHFFFAOYSA-N -1 3 356.407 3.332 20 0 FGADHM O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)Nc1ncccc1[O-] ZINC000192734628 497199200 /nfs/dbraw/zinc/19/92/00/497199200.db2.gz KCVDIRGKBQGDIU-UHFFFAOYSA-N -1 3 362.798 3.221 20 0 FGADHM Cc1ccc(NC(=O)[C@@H]2CC[C@@H](C(F)(F)F)[N-]C2=O)cc1C(F)(F)F ZINC000192735970 497199305 /nfs/dbraw/zinc/19/93/05/497199305.db2.gz IZICFHJFJUFNAA-ONGXEEELSA-N -1 3 368.277 3.409 20 0 FGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]c1c(F)cccc1Cl ZINC000189678298 497208648 /nfs/dbraw/zinc/20/86/48/497208648.db2.gz CQZZOZSHTWQEHV-UHFFFAOYSA-N -1 3 363.819 3.436 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)CCc1cccs1)c1nc(C2CCCCC2)no1 ZINC000189679548 497208779 /nfs/dbraw/zinc/20/87/79/497208779.db2.gz KGYSYFWJJSNZTH-GFCCVEGCSA-N -1 3 369.512 3.402 20 0 FGADHM COc1cc(Cl)c(S(=O)(=O)[N-]c2ccc(F)cc2F)cc1OC ZINC000192773630 497210664 /nfs/dbraw/zinc/21/06/64/497210664.db2.gz OOOKFCXGKROOHX-UHFFFAOYSA-N -1 3 363.769 3.436 20 0 FGADHM CC(C)(C)OC(=O)Nc1ccc(C(=O)[N-]N2CCCCC2=O)c(Cl)c1 ZINC000265954244 497217350 /nfs/dbraw/zinc/21/73/50/497217350.db2.gz WEZGTSMEVLFBKN-UHFFFAOYSA-N -1 3 367.833 3.344 20 0 FGADHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1C[C@@H](C)c2ccccc21 ZINC000192852871 497230482 /nfs/dbraw/zinc/23/04/82/497230482.db2.gz BOMLXKOPYPDMNP-LLVKDONJSA-N -1 3 372.446 3.322 20 0 FGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](CCCO)c1ccccc1 ZINC000278820185 497231532 /nfs/dbraw/zinc/23/15/32/497231532.db2.gz PJAKRZIAHDJJRG-HNNXBMFYSA-N -1 3 369.870 3.141 20 0 FGADHM COC[C@@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1)c1ccc(Cl)cc1 ZINC000192927277 497249083 /nfs/dbraw/zinc/24/90/83/497249083.db2.gz YCXVPPISAKBBKV-OAHLLOKOSA-N -1 3 361.797 3.284 20 0 FGADHM CC(=O)c1cccc(NC(=O)c2ccc(S(=O)(=O)CC3CC3)cc2)c1[O-] ZINC000578239898 505895960 /nfs/dbraw/zinc/89/59/60/505895960.db2.gz YHCRUGMFZWKVBB-UHFFFAOYSA-N -1 3 373.430 3.031 20 0 FGADHM COc1ccc(NC(C)=O)cc1NC(=O)c1cc(-c2ccc(C)o2)[n-]n1 ZINC000193075392 497294746 /nfs/dbraw/zinc/29/47/46/497294746.db2.gz ALVPCAVFFBDXJA-UHFFFAOYSA-N -1 3 354.366 3.197 20 0 FGADHM COc1ccc(NC(C)=O)cc1NC(=O)c1cc(-c2ccc(C)o2)n[n-]1 ZINC000193075392 497294749 /nfs/dbraw/zinc/29/47/49/497294749.db2.gz ALVPCAVFFBDXJA-UHFFFAOYSA-N -1 3 354.366 3.197 20 0 FGADHM Cc1sc2ncn(NC(=O)c3cc4c(cc3[O-])CCCC4)c(=O)c2c1C ZINC000271238930 497299914 /nfs/dbraw/zinc/29/99/14/497299914.db2.gz XNPUGYUYSJTWFI-UHFFFAOYSA-N -1 3 369.446 3.043 20 0 FGADHM CC(C)(C)S(=O)(=O)Cc1cccc(NC(=O)c2c([O-])cccc2O)c1 ZINC000271246829 497302916 /nfs/dbraw/zinc/30/29/16/497302916.db2.gz CMGNQOYKZYKLFR-UHFFFAOYSA-N -1 3 363.435 3.063 20 0 FGADHM CCOC(=O)c1csc(NC(=O)c2cc([O-])ccc2C(F)(F)F)n1 ZINC000193198448 497322308 /nfs/dbraw/zinc/32/23/08/497322308.db2.gz RENFFGWSEVIKKD-UHFFFAOYSA-N -1 3 360.313 3.297 20 0 FGADHM CC(C)c1nnc([C@H]2COCCN2C(=O)c2ccc(C(C)C)cc2[O-])o1 ZINC000275447433 497328892 /nfs/dbraw/zinc/32/88/92/497328892.db2.gz SQALENXSBDEAEC-OAHLLOKOSA-N -1 3 359.426 3.236 20 0 FGADHM C[C@@H]1[C@@H](C)[S@](=O)CCN1C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000271412451 497340951 /nfs/dbraw/zinc/34/09/51/497340951.db2.gz PUZNPNUXGVNKCW-FPIQFJIESA-N -1 3 359.447 3.166 20 0 FGADHM CO[C@H](C)CS(=O)(=O)[N-]c1ccc(Oc2ccc(Cl)cc2)nc1 ZINC000193319246 497348910 /nfs/dbraw/zinc/34/89/10/497348910.db2.gz NNGSETJEBKKUIF-LLVKDONJSA-N -1 3 356.831 3.304 20 0 FGADHM CCCCOc1ccc(C(=O)N(C)Cc2nccn2C(F)F)c([O-])c1 ZINC000190081860 497350608 /nfs/dbraw/zinc/35/06/08/497350608.db2.gz CZHVMEQEYGUMFB-UHFFFAOYSA-N -1 3 353.369 3.435 20 0 FGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@@H](C)c1cccc(C)c1C ZINC000190094002 497354793 /nfs/dbraw/zinc/35/47/93/497354793.db2.gz FYFJNAKPSXEZIT-ZDUSSCGKSA-N -1 3 367.492 3.499 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NC2CCCCCC2)c1 ZINC000193457827 497384570 /nfs/dbraw/zinc/38/45/70/497384570.db2.gz WIVJMVYIFHHGBI-UHFFFAOYSA-N -1 3 357.410 3.394 20 0 FGADHM O=C(c1c[n-]c2ccccc2c1=O)N1CCC[C@@H](Oc2ncccc2F)C1 ZINC000279279580 497391776 /nfs/dbraw/zinc/39/17/76/497391776.db2.gz IFNQXNOZVLVEAB-CYBMUJFWSA-N -1 3 367.380 3.158 20 0 FGADHM CCc1cc(NC([O-])=NOCc2ccc(F)cc2Br)n(C)n1 ZINC000190195780 497394910 /nfs/dbraw/zinc/39/49/10/497394910.db2.gz ZSKRIRUJYNLQMF-UHFFFAOYSA-N -1 3 371.210 3.137 20 0 FGADHM CCc1cc(NC(=O)[N-]OCc2ccc(F)cc2Br)n(C)n1 ZINC000190195780 497394912 /nfs/dbraw/zinc/39/49/12/497394912.db2.gz ZSKRIRUJYNLQMF-UHFFFAOYSA-N -1 3 371.210 3.137 20 0 FGADHM COC(=O)c1cnc(SCc2nnc(-c3cccc(Cl)c3)o2)[n-]1 ZINC000193541218 497407945 /nfs/dbraw/zinc/40/79/45/497407945.db2.gz WIAGJJRPNLJARM-UHFFFAOYSA-N -1 3 350.787 3.192 20 0 FGADHM COC(=O)c1cnc(SCC(=O)N(Cc2ccccc2)C(C)(C)C)[n-]1 ZINC000193549226 497410057 /nfs/dbraw/zinc/41/00/57/497410057.db2.gz MTOQKUQHFYMTQI-UHFFFAOYSA-N -1 3 361.467 3.116 20 0 FGADHM COC(=O)c1cnc(SCC(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)[n-]1 ZINC000193550544 497411293 /nfs/dbraw/zinc/41/12/93/497411293.db2.gz YGFYPSIYYHGAGR-JTQLQIEISA-N -1 3 367.858 3.161 20 0 FGADHM O=C(Nc1cc(Br)c(F)cc1F)c1ccc2n[n-]nc2c1 ZINC000190245892 497412773 /nfs/dbraw/zinc/41/27/73/497412773.db2.gz JWFPSXKMKQJTCU-UHFFFAOYSA-N -1 3 353.126 3.251 20 0 FGADHM O=C(NC[C@H](O)Cc1ccccc1)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000190244833 497413150 /nfs/dbraw/zinc/41/31/50/497413150.db2.gz NGZIGQDPSGSPAC-GFCCVEGCSA-N -1 3 361.854 3.125 20 0 FGADHM COc1cccc(C[C@H](C)[N-]S(=O)(=O)c2cc(F)ccc2Cl)c1 ZINC000261451811 497413446 /nfs/dbraw/zinc/41/34/46/497413446.db2.gz IVNVFZVFZMJYKG-NSHDSACASA-N -1 3 357.834 3.397 20 0 FGADHM CC[C@@H](C)c1nc([C@H](C)[N-]S(=O)(=O)Cc2c(F)cccc2Cl)n[nH]1 ZINC000569316403 505905901 /nfs/dbraw/zinc/90/59/01/505905901.db2.gz UIFKNJCPOWWQCG-ZJUUUORDSA-N -1 3 374.869 3.291 20 0 FGADHM COc1cccc(OC)c1OC1CCN([C@H](C)c2nc(C)cc(=O)[n-]2)CC1 ZINC000279452754 497442562 /nfs/dbraw/zinc/44/25/62/497442562.db2.gz MFNRLNVMZCEJNW-CQSZACIVSA-N -1 3 373.453 3.112 20 0 FGADHM C[C@H](NC(=O)[C@H](C)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1)c1cc2ccccc2o1 ZINC000262116471 497510566 /nfs/dbraw/zinc/51/05/66/497510566.db2.gz JENORGRKYKCHMN-DSETUZSISA-N -1 3 370.449 3.185 20 0 FGADHM O=C([O-])[C@@]12CCC[C@H]1CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C2 ZINC000262160846 497518382 /nfs/dbraw/zinc/51/83/82/497518382.db2.gz OCFCWAKMHNXOLD-MGPLVRAMSA-N -1 3 357.237 3.119 20 0 FGADHM CCc1ccc([C@@H]2CNCCN2Cc2nc(=O)c3sccc3[n-]2)cc1 ZINC000262218956 497525794 /nfs/dbraw/zinc/52/57/94/497525794.db2.gz MKPXFAUPMZVBBA-INIZCTEOSA-N -1 3 354.479 3.106 20 0 FGADHM Cn1cc(-c2ccc(F)c(-c3nc(-c4ccc5n[n-]nc5c4)no3)c2)cn1 ZINC000575061181 505912256 /nfs/dbraw/zinc/91/22/56/505912256.db2.gz FNAXKCWKVSYJRE-UHFFFAOYSA-N -1 3 361.340 3.215 20 0 FGADHM CCCCOc1ccc(C(=O)N2CCN([C@H](C)C(F)(F)F)CC2)c([O-])c1 ZINC000190585200 497534944 /nfs/dbraw/zinc/53/49/44/497534944.db2.gz UJPLFVVRGIPWDF-CYBMUJFWSA-N -1 3 374.403 3.280 20 0 FGADHM CCCCOc1ccc(C(=O)N2CC[C@H](C)[C@H](n3ccnc3)C2)c([O-])c1 ZINC000190634077 497553483 /nfs/dbraw/zinc/55/34/83/497553483.db2.gz XLGDLIOURVUFNV-MAUKXSAKSA-N -1 3 357.454 3.491 20 0 FGADHM C[C@@](O)(CCNC(=O)c1cc([O-])ccc1C(F)(F)F)c1ccccc1 ZINC000194043490 497555916 /nfs/dbraw/zinc/55/59/16/497555916.db2.gz ZENBZVLWCAFYJL-QGZVFWFLSA-N -1 3 353.340 3.439 20 0 FGADHM O=S(=O)([N-][C@H]1CCOc2c(F)cccc21)c1cc(F)ccc1Cl ZINC000190727478 497587019 /nfs/dbraw/zinc/58/70/19/497587019.db2.gz ZTDLBDQTRSSQAC-ZDUSSCGKSA-N -1 3 359.781 3.420 20 0 FGADHM Cc1cc([N-]S(=O)(=O)c2cccc3cnccc32)c2c(n1)CCCC2 ZINC000578329726 505916332 /nfs/dbraw/zinc/91/63/32/505916332.db2.gz UDMWZVCFNQWBQO-UHFFFAOYSA-N -1 3 353.447 3.040 20 0 FGADHM C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)N1CCC[C@@H](C(=O)[O-])C1 ZINC000262663871 497594782 /nfs/dbraw/zinc/59/47/82/497594782.db2.gz MQTAHSAUBZDVOT-QJPTWQEYSA-N -1 3 373.280 3.356 20 0 FGADHM C[C@H](NC(=O)[C@H](C)N1CCC(C(=O)[O-])CC1)c1cccc2ccccc21 ZINC000262670747 497595746 /nfs/dbraw/zinc/59/57/46/497595746.db2.gz RLOXYAQNKVFZSI-GJZGRUSLSA-N -1 3 354.450 3.202 20 0 FGADHM Cc1cccc(C[C@@H](CO)NC(=O)c2cc([O-])ccc2C(F)(F)F)c1 ZINC000194217130 497604991 /nfs/dbraw/zinc/60/49/91/497604991.db2.gz DZGVLIMKSSEMMT-ZDUSSCGKSA-N -1 3 353.340 3.053 20 0 FGADHM Cc1ccccc1C1CCN(C[C@@H](O)COc2ccc(C(=O)[O-])cc2)CC1 ZINC000581136826 505918073 /nfs/dbraw/zinc/91/80/73/505918073.db2.gz FRBDVGGAVVQUIG-LJQANCHMSA-N -1 3 369.461 3.313 20 0 FGADHM O=C(NC1(c2nc[nH]n2)CCC1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000194291651 497626012 /nfs/dbraw/zinc/62/60/12/497626012.db2.gz HBQXMSISXHNBKK-UHFFFAOYSA-N -1 3 350.378 3.112 20 0 FGADHM COCC1(C(=O)[O-])CCN(Cc2ccccc2Oc2cccnc2)CC1 ZINC000569371837 505919343 /nfs/dbraw/zinc/91/93/43/505919343.db2.gz FQGZBOPXPJESHB-UHFFFAOYSA-N -1 3 356.422 3.187 20 0 FGADHM O=C([O-])[C@H]1CN(C(=O)C2CCN(Cc3ccccc3)CC2)c2ccccc21 ZINC000262856873 497639241 /nfs/dbraw/zinc/63/92/41/497639241.db2.gz YFTMOQLTULWSOQ-IBGZPJMESA-N -1 3 364.445 3.114 20 0 FGADHM COc1cc(C(=O)N2CCC[C@H]2c2nc3ccccc3n2C)ccc1[O-] ZINC000268062562 497670251 /nfs/dbraw/zinc/67/02/51/497670251.db2.gz FIULPXFLGMBUQR-INIZCTEOSA-N -1 3 351.406 3.265 20 0 FGADHM CC(C)[C@H](C(=O)N[C@H](CCC(=O)[O-])Cc1ccccc1)N1CCCCC1 ZINC000263050940 497691731 /nfs/dbraw/zinc/69/17/31/497691731.db2.gz FKXMHFUNQUWUEQ-UYAOXDASSA-N -1 3 360.498 3.089 20 0 FGADHM CCOc1c(OC)cc(CN[C@H](C(=O)[O-])c2ccc(C)cc2)cc1OC ZINC000276973127 497703694 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/nfs/dbraw/zinc/97/41/39/505974139.db2.gz CGLGWITXNVAXSW-OAHLLOKOSA-N -1 3 358.419 3.090 20 0 FGADHM CCc1ccc(-c2nc(CC(=O)N[C@@H](C)c3ccccc3)no2)c([O-])c1 ZINC000289257176 498079404 /nfs/dbraw/zinc/07/94/04/498079404.db2.gz WFBILNMZZMTTTA-ZDUSSCGKSA-N -1 3 351.406 3.425 20 0 FGADHM COc1ccc2c(c1)OC[C@H](NC(=O)c1cc([O-])ccc1C(F)(F)F)C2 ZINC000281306287 498097918 /nfs/dbraw/zinc/09/79/18/498097918.db2.gz UDTZNSLEXZUGHK-LLVKDONJSA-N -1 3 367.323 3.153 20 0 FGADHM CCC[C@@H](OC)c1noc([C@@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000296573448 498101508 /nfs/dbraw/zinc/10/15/08/498101508.db2.gz VFSVZCFZUIVQGF-ZWNOBZJWSA-N -1 3 373.862 3.250 20 0 FGADHM CCOc1cc(-c2noc(Cc3ccc([S@](C)=O)cc3)n2)ccc1[O-] ZINC000350586291 498120289 /nfs/dbraw/zinc/12/02/89/498120289.db2.gz VRFWRIWVVUSGGW-VWLOTQADSA-N -1 3 358.419 3.169 20 0 FGADHM CCNc1cnc(-c2noc(-c3ccc4c(c3[O-])OC(C)(C)C4)n2)cn1 ZINC000350583147 498120694 /nfs/dbraw/zinc/12/06/94/498120694.db2.gz RGKFXGJORLWDLF-UHFFFAOYSA-N -1 3 353.382 3.045 20 0 FGADHM CCC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]CC2(C)CCOCC2)c1 ZINC000281370094 498124672 /nfs/dbraw/zinc/12/46/72/498124672.db2.gz DOIRSLKYQHUGOT-UHFFFAOYSA-N -1 3 359.875 3.028 20 0 FGADHM CN(C(=O)Cc1ccc(NC(=O)[N-]OCC2CC2)cc1)c1ccccc1 ZINC000292778800 498144020 /nfs/dbraw/zinc/14/40/20/498144020.db2.gz YWHXUNLBQMZBSQ-UHFFFAOYSA-N -1 3 353.422 3.355 20 0 FGADHM C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CC[C@@H](c2ccccc2)[C@H]1C ZINC000578634899 505985996 /nfs/dbraw/zinc/98/59/96/505985996.db2.gz NOFJJHNZECEJAS-JXXFODFXSA-N -1 3 366.461 3.268 20 0 FGADHM COc1ccc(CNCC[C@@H](O)c2ccccc2)c(Br)c1[O-] ZINC000289453887 498153434 /nfs/dbraw/zinc/15/34/34/498153434.db2.gz NLPKTVQNWRTZDE-CQSZACIVSA-N -1 3 366.255 3.377 20 0 FGADHM CC(C)[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)CCO1 ZINC000330625625 498161574 /nfs/dbraw/zinc/16/15/74/498161574.db2.gz HTNHHKLYQJEPFC-JSGCOSHPSA-N -1 3 352.283 3.475 20 0 FGADHM C[C@H]1Cc2ccccc2N1Cc1ccoc1C(=O)[N-]c1nncn1C1CC1 ZINC000285661837 498163996 /nfs/dbraw/zinc/16/39/96/498163996.db2.gz FIVPKWIHMVOPSV-ZDUSSCGKSA-N -1 3 363.421 3.410 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(NCc3c(C)cc(C)[nH]c3=O)nc2)n1 ZINC000301563403 498165687 /nfs/dbraw/zinc/16/56/87/498165687.db2.gz YOSGAPRDPLTIBZ-UHFFFAOYSA-N -1 3 351.410 3.136 20 0 FGADHM NC(=O)C1CCC([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000330690122 498174723 /nfs/dbraw/zinc/17/47/23/498174723.db2.gz YKYMMFORLPZILC-UHFFFAOYSA-N -1 3 351.255 3.366 20 0 FGADHM CSCCON=C([O-])Nc1ccc(C)c(OCC2CCOCC2)c1 ZINC000281525734 498182938 /nfs/dbraw/zinc/18/29/38/498182938.db2.gz WEJNJQWJAGYMSP-UHFFFAOYSA-N -1 3 354.472 3.217 20 0 FGADHM CSCCO[N-]C(=O)Nc1ccc(C)c(OCC2CCOCC2)c1 ZINC000281525734 498182946 /nfs/dbraw/zinc/18/29/46/498182946.db2.gz WEJNJQWJAGYMSP-UHFFFAOYSA-N -1 3 354.472 3.217 20 0 FGADHM FC(F)(F)C[N-]c1nnc(Sc2ncnc3c2ncn3C2CC2)s1 ZINC000292888429 498185215 /nfs/dbraw/zinc/18/52/15/498185215.db2.gz ZSEPSOGMRWVQNS-UHFFFAOYSA-N -1 3 373.389 3.138 20 0 FGADHM CCCS(=O)(=O)[N-]c1ccc(-c2nc(CC3CC(F)(F)C3)no2)cc1 ZINC000351191817 498192813 /nfs/dbraw/zinc/19/28/13/498192813.db2.gz UPYYRBFCUDDGGT-UHFFFAOYSA-N -1 3 371.409 3.476 20 0 FGADHM C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000330805516 498196844 /nfs/dbraw/zinc/19/68/44/498196844.db2.gz LUKCFGNPXMUDQH-WMLDXEAASA-N -1 3 358.463 3.076 20 0 FGADHM C[C@H](CCCc1ccccc1)C(=O)N=c1[n-]n(C)cc1Br ZINC000569695513 505996196 /nfs/dbraw/zinc/99/61/96/505996196.db2.gz BRKFVLOVQBXDQM-GFCCVEGCSA-N -1 3 350.260 3.202 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(NCCOc3ncccc3Cl)nc2)n1 ZINC000301676178 498219457 /nfs/dbraw/zinc/21/94/57/498219457.db2.gz SJOQUMAGUCOVDU-UHFFFAOYSA-N -1 3 371.828 3.346 20 0 FGADHM O=C(Nc1cnc2n1CCCC2)c1c[n-]nc1-c1cccc(OC(F)F)c1 ZINC000572573949 506000641 /nfs/dbraw/zinc/00/06/41/506000641.db2.gz MUKZSJMLUMIOCD-UHFFFAOYSA-N -1 3 373.363 3.463 20 0 FGADHM O=C(Nc1cnc2n1CCCC2)c1cn[n-]c1-c1cccc(OC(F)F)c1 ZINC000572573949 506000646 /nfs/dbraw/zinc/00/06/46/506000646.db2.gz MUKZSJMLUMIOCD-UHFFFAOYSA-N -1 3 373.363 3.463 20 0 FGADHM Cc1ccc([O-])c(CN[C@H]2CCCN([C@@H](C)c3ccc(F)cc3)C2=O)n1 ZINC000293069858 498256865 /nfs/dbraw/zinc/25/68/65/498256865.db2.gz SUFGKNIMISKXIM-YOEHRIQHSA-N -1 3 357.429 3.077 20 0 FGADHM Cc1ccc([C@@H]2C[C@@H]2C(=O)Nc2ccc(F)c([N-]S(C)(=O)=O)c2)s1 ZINC000360285499 498263908 /nfs/dbraw/zinc/26/39/08/498263908.db2.gz UMZHNZDMKRTYJA-NEPJUHHUSA-N -1 3 368.455 3.309 20 0 FGADHM CCOc1nc2cc(C(=O)N3CCC[C@@H]3c3c(C)n[nH]c3C)ccc2[n-]1 ZINC000581522913 506006958 /nfs/dbraw/zinc/00/69/58/506006958.db2.gz FYRRCUJMOGIJOI-MRXNPFEDSA-N -1 3 353.426 3.279 20 0 FGADHM CCOc1nc2ccc(C(=O)N3CCC[C@@H]3c3c(C)n[nH]c3C)cc2[n-]1 ZINC000581522913 506006962 /nfs/dbraw/zinc/00/69/62/506006962.db2.gz FYRRCUJMOGIJOI-MRXNPFEDSA-N -1 3 353.426 3.279 20 0 FGADHM COC(=O)CCCO[N-]C(=O)Nc1cccc(COCc2ccco2)c1 ZINC000289745254 498274423 /nfs/dbraw/zinc/27/44/23/498274423.db2.gz PSRNXBULXDHPGO-UHFFFAOYSA-N -1 3 362.382 3.003 20 0 FGADHM COc1cccc(-c2c[nH]c([C@H]3CCCN3C(=O)c3csc(=O)[n-]3)n2)c1 ZINC000365111763 498301761 /nfs/dbraw/zinc/30/17/61/498301761.db2.gz SDEUQTUXOQZRFH-OAHLLOKOSA-N -1 3 370.434 3.225 20 0 FGADHM CCc1nn(C)c(CC)c1CNc1ccc(-c2nc(CC)cc(=O)[n-]2)cn1 ZINC000301869073 498303048 /nfs/dbraw/zinc/30/30/48/498303048.db2.gz WEUCNSHHUWHPOM-UHFFFAOYSA-N -1 3 366.469 3.277 20 0 FGADHM CC(C)(C)OC(=O)[C@]1(C)CCN(C(=O)Cc2ccc([O-])cc2Cl)C1 ZINC000331356921 498308906 /nfs/dbraw/zinc/30/89/06/498308906.db2.gz SNUXSHBOYXLTQP-GOSISDBHSA-N -1 3 353.846 3.168 20 0 FGADHM O=S(=O)([N-]C[C@@H]1CCCCC1(F)F)c1cnc(-c2ccccc2)nc1 ZINC000575833343 506013490 /nfs/dbraw/zinc/01/34/90/506013490.db2.gz OVJHNBMNMSEFNA-AWEZNQCLSA-N -1 3 367.421 3.247 20 0 FGADHM O=S(=O)([N-][C@H]1CCN(Cc2ccccc2)C1)c1cc(Cl)ccc1F ZINC000581562927 506015948 /nfs/dbraw/zinc/01/59/48/506015948.db2.gz MDMFAOHDKKVZMY-HNNXBMFYSA-N -1 3 368.861 3.032 20 0 FGADHM C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)NCc2nnc(C(F)(F)F)[n-]2)C1 ZINC000331432887 498330010 /nfs/dbraw/zinc/33/00/10/498330010.db2.gz BYUZLSWGKXXXSX-SKDRFNHKSA-N -1 3 371.338 3.255 20 0 FGADHM C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)NCc2n[n-]c(C(F)(F)F)n2)C1 ZINC000331432887 498330016 /nfs/dbraw/zinc/33/00/16/498330016.db2.gz BYUZLSWGKXXXSX-SKDRFNHKSA-N -1 3 371.338 3.255 20 0 FGADHM C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)NCc2nc(C(F)(F)F)n[n-]2)C1 ZINC000331432887 498330021 /nfs/dbraw/zinc/33/00/21/498330021.db2.gz BYUZLSWGKXXXSX-SKDRFNHKSA-N -1 3 371.338 3.255 20 0 FGADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)N1CCC[C@@H]1c1cccc(F)c1 ZINC000331437509 498331486 /nfs/dbraw/zinc/33/14/86/498331486.db2.gz CJIQTJSKIZRXCT-LLVKDONJSA-N -1 3 357.311 3.009 20 0 FGADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)N1CCC[C@@H]1c1cccc(F)c1 ZINC000331437509 498331489 /nfs/dbraw/zinc/33/14/89/498331489.db2.gz CJIQTJSKIZRXCT-LLVKDONJSA-N -1 3 357.311 3.009 20 0 FGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N1CCC[C@@H]1c1cccc(F)c1 ZINC000331437509 498331492 /nfs/dbraw/zinc/33/14/92/498331492.db2.gz CJIQTJSKIZRXCT-LLVKDONJSA-N -1 3 357.311 3.009 20 0 FGADHM O=C(Nc1nc(C2CCOCC2)cs1)c1cn[n-]c1-c1ccncc1 ZINC000286234484 498333102 /nfs/dbraw/zinc/33/31/02/498333102.db2.gz CVKFYBZMAUNXHK-UHFFFAOYSA-N -1 3 355.423 3.075 20 0 FGADHM O=C(Nc1nc(C2CCOCC2)cs1)c1c[n-]nc1-c1ccncc1 ZINC000286234484 498333110 /nfs/dbraw/zinc/33/31/10/498333110.db2.gz CVKFYBZMAUNXHK-UHFFFAOYSA-N -1 3 355.423 3.075 20 0 FGADHM C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)NCc2nnc(C(F)(F)F)[n-]2)C1 ZINC000331453161 498336854 /nfs/dbraw/zinc/33/68/54/498336854.db2.gz FDRQFXUYKNFRGO-BXKDBHETSA-N -1 3 371.338 3.255 20 0 FGADHM C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)NCc2n[n-]c(C(F)(F)F)n2)C1 ZINC000331453161 498336858 /nfs/dbraw/zinc/33/68/58/498336858.db2.gz FDRQFXUYKNFRGO-BXKDBHETSA-N -1 3 371.338 3.255 20 0 FGADHM C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)NCc2nc(C(F)(F)F)n[n-]2)C1 ZINC000331453161 498336863 /nfs/dbraw/zinc/33/68/63/498336863.db2.gz FDRQFXUYKNFRGO-BXKDBHETSA-N -1 3 371.338 3.255 20 0 FGADHM CCc1cccc(C(=O)N(C)CC(=O)N(C)[C@H](C)c2ccccc2)c1[O-] ZINC000578788549 506020533 /nfs/dbraw/zinc/02/05/33/506020533.db2.gz PTEHMCMVGMQXKC-OAHLLOKOSA-N -1 3 354.450 3.246 20 0 FGADHM COc1cc(C(=O)N2CCSC[C@@H]2c2ccc(C)o2)cc(OC)c1[O-] ZINC000361198836 498357630 /nfs/dbraw/zinc/35/76/30/498357630.db2.gz AGFHOQDGBDDESV-CYBMUJFWSA-N -1 3 363.435 3.241 20 0 FGADHM CCc1ncnc(Sc2n[n-]c(-c3ccc(OC)cc3OC)n2)c1F ZINC000301991644 498359967 /nfs/dbraw/zinc/35/99/67/498359967.db2.gz MSSVGQSIGDTLKU-UHFFFAOYSA-N -1 3 361.402 3.132 20 0 FGADHM Cc1nc([C@H]([N-]S(=O)(=O)CC(C)(C)C)c2ccc(Cl)cc2)no1 ZINC000282025683 498362507 /nfs/dbraw/zinc/36/25/07/498362507.db2.gz URJHMWHFYZDELR-CYBMUJFWSA-N -1 3 357.863 3.086 20 0 FGADHM CCN(CC)[C@H](CNC(=O)N1CCC[C@H](CC(=O)[O-])C1)c1ccsc1 ZINC000581595394 506024399 /nfs/dbraw/zinc/02/43/99/506024399.db2.gz PUOODMMINCSUGG-GDBMZVCRSA-N -1 3 367.515 3.027 20 0 FGADHM O=C(c1ccc2n[n-]nc2c1)N1CCC(c2nc(-c3ccccc3)no2)CC1 ZINC000361583231 498410613 /nfs/dbraw/zinc/41/06/13/498410613.db2.gz SELOUMHBYZHXNI-UHFFFAOYSA-N -1 3 374.404 3.028 20 0 FGADHM CO[C@H](C)CS(=O)(=O)[N-]c1ccc(Sc2nc(C)cc(C)n2)cc1 ZINC000282175088 498412250 /nfs/dbraw/zinc/41/22/50/498412250.db2.gz INOFLQHCFRHMMX-CYBMUJFWSA-N -1 3 367.496 3.021 20 0 FGADHM CC(C)CC[C@@H](C)NC(=O)NC1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000361637479 498413643 /nfs/dbraw/zinc/41/36/43/498413643.db2.gz XZNSAWNEBXZJBK-OAHLLOKOSA-N -1 3 361.486 3.121 20 0 FGADHM C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2C(=O)c2cc(=O)c3ccccc3[n-]2)C1 ZINC000282184286 498414483 /nfs/dbraw/zinc/41/44/83/498414483.db2.gz SAXVURDEKASQAG-MWLKLMTCSA-N -1 3 354.450 3.342 20 0 FGADHM CC(C)OCc1cc(NC(=O)Nc2ccnc(C(=O)N(C)C)c2)ccc1[O-] ZINC000290136628 498438567 /nfs/dbraw/zinc/43/85/67/498438567.db2.gz FWKYLAPIBZWIKH-UHFFFAOYSA-N -1 3 372.425 3.058 20 0 FGADHM CC[C@H](C)CO[N-]C(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2F)C1 ZINC000293660372 498444576 /nfs/dbraw/zinc/44/45/76/498444576.db2.gz HQAWHIPYAKGSNA-UONOGXRCSA-N -1 3 351.422 3.164 20 0 FGADHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)CCO1 ZINC000286600264 498449176 /nfs/dbraw/zinc/44/91/76/498449176.db2.gz XSSRDRVZZXHCAY-SCZZXKLOSA-N -1 3 357.781 3.205 20 0 FGADHM Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C)s1 ZINC000282310014 498462603 /nfs/dbraw/zinc/46/26/03/498462603.db2.gz NHALJWFUGZNLIL-MRVPVSSYSA-N -1 3 365.402 3.213 20 0 FGADHM Cc1cc(-c2nc(Cc3nc(=O)c4c(C5CC5)csc4[n-]3)no2)cnn1 ZINC000290226538 498472523 /nfs/dbraw/zinc/47/25/23/498472523.db2.gz XIFIQKVTTPQUNF-UHFFFAOYSA-N -1 3 366.406 3.014 20 0 FGADHM COc1cc([C@H]2CCCN2C(=O)c2ccccc2[O-])cc(OC)c1OC ZINC000362337713 498499955 /nfs/dbraw/zinc/49/99/55/498499955.db2.gz XJGCYDILBWUWAO-OAHLLOKOSA-N -1 3 357.406 3.395 20 0 FGADHM CC(C)(C)OC(=O)N1C[C@@H]2CCN(C(=O)c3ccccc3[O-])CC[C@@H]2C1 ZINC000293824281 498502356 /nfs/dbraw/zinc/50/23/56/498502356.db2.gz FOFJVKMRHVONPB-GASCZTMLSA-N -1 3 360.454 3.111 20 0 FGADHM CCN(CC)[C@H](C[N-]S(=O)(=O)c1cc(F)ccc1F)c1ccccc1 ZINC000302587041 498513023 /nfs/dbraw/zinc/51/30/23/498513023.db2.gz DCVHGWBPJXOGPV-QGZVFWFLSA-N -1 3 368.449 3.326 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F)c1cccc(Cl)c1 ZINC000293887938 498523958 /nfs/dbraw/zinc/52/39/58/498523958.db2.gz BUHKMNVLAGBTCJ-MRVPVSSYSA-N -1 3 367.780 3.132 20 0 FGADHM CC[C@@H]1CCN1C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000293895777 498526371 /nfs/dbraw/zinc/52/63/71/498526371.db2.gz FMJXWQVAOLJTTE-CQSZACIVSA-N -1 3 362.426 3.251 20 0 FGADHM Cc1ccccc1C(C)(C)NC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000293921220 498534311 /nfs/dbraw/zinc/53/43/11/498534311.db2.gz LVHSCRXZGDMBLH-UHFFFAOYSA-N -1 3 364.442 3.171 20 0 FGADHM [O-]c1cc(CN2CCn3c(nnc3C(F)(F)F)C2)cc(C(F)(F)F)c1 ZINC000290398106 498537272 /nfs/dbraw/zinc/53/72/72/498537272.db2.gz KDZZGMHOOYSTAA-UHFFFAOYSA-N -1 3 366.265 3.037 20 0 FGADHM Cc1ccc(CNC(=O)c2cc([O-])ccc2Cl)c(O[C@H]2CCOC2)c1 ZINC000290405479 498539917 /nfs/dbraw/zinc/53/99/17/498539917.db2.gz DWNWCLGQSGYKKX-HNNXBMFYSA-N -1 3 361.825 3.452 20 0 FGADHM Cc1ccc2c(c1)CN(C(=O)CCc1c(C)nc(C)[n-]c1=O)C(C)(C)C2 ZINC000297733508 498551971 /nfs/dbraw/zinc/55/19/71/498551971.db2.gz KGJNFXBAPOULLI-UHFFFAOYSA-N -1 3 353.466 3.404 20 0 FGADHM C/C(=C\c1ccc(F)cc1)C(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000290442259 498554701 /nfs/dbraw/zinc/55/47/01/498554701.db2.gz TZMLPDISNKGXSX-BRADTZPFSA-N -1 3 372.362 3.146 20 0 FGADHM COC(=O)Cc1ccc(S(=O)(=O)[N-]c2c(C)c(F)ccc2Cl)cc1 ZINC000572796888 506053877 /nfs/dbraw/zinc/05/38/77/506053877.db2.gz XDJITFKAZDLSTJ-UHFFFAOYSA-N -1 3 371.817 3.304 20 0 FGADHM O=C(Nc1cccc(CNCc2c(F)ccc([O-])c2F)c1)[C@@H]1CCCO1 ZINC000294135654 498599678 /nfs/dbraw/zinc/59/96/78/498599678.db2.gz HDCLWYWONIESPY-KRWDZBQOSA-N -1 3 362.376 3.078 20 0 FGADHM CCOc1cc(CN2CC[C@](C)(COC)C2)cc(Br)c1[O-] ZINC000294162557 498606836 /nfs/dbraw/zinc/60/68/36/498606836.db2.gz IOZOLIIVBOEAQL-INIZCTEOSA-N -1 3 358.276 3.412 20 0 FGADHM Cc1nc(C)c(CCC(=O)NCc2ccccc2-c2ccncc2)c(=O)[n-]1 ZINC000363066722 498632184 /nfs/dbraw/zinc/63/21/84/498632184.db2.gz SQIGGKKTJOCLTK-UHFFFAOYSA-N -1 3 362.433 3.110 20 0 FGADHM COc1ccccc1N1CCC(NC(=O)c2cc([O-])ccc2Cl)CC1 ZINC000290654017 498635071 /nfs/dbraw/zinc/63/50/71/498635071.db2.gz RUSGXDUVWJWNKG-UHFFFAOYSA-N -1 3 360.841 3.453 20 0 FGADHM CS(=O)(=O)[N-]c1cc(NC(=O)C2CC(c3ccccc3)C2)ccc1F ZINC000363078814 498638900 /nfs/dbraw/zinc/63/89/00/498638900.db2.gz FPESZYPKTNHWKU-UHFFFAOYSA-N -1 3 362.426 3.330 20 0 FGADHM Cn1[nH]c(-c2ccccc2Cl)nc1=NC(=O)c1cc([O-])ccc1Cl ZINC000365786022 498640410 /nfs/dbraw/zinc/64/04/10/498640410.db2.gz YVMBDBMHFTUFIS-UHFFFAOYSA-N -1 3 363.204 3.169 20 0 FGADHM O=S(=O)([N-]Cc1ccccc1F)c1cc(Br)ccc1F ZINC000303047105 498643254 /nfs/dbraw/zinc/64/32/54/498643254.db2.gz UMYUTJAZSHKVPO-UHFFFAOYSA-N -1 3 362.195 3.206 20 0 FGADHM O=C([N-]c1nnc(C2CCOCC2)s1)c1cnc(-c2ccncc2)s1 ZINC000294294049 498646771 /nfs/dbraw/zinc/64/67/71/498646771.db2.gz NZXQTTKDUMQEKO-UHFFFAOYSA-N -1 3 373.463 3.203 20 0 FGADHM CC1CCN(C(=O)C(=O)[N-]c2nc3cc(Cl)c(Cl)cc3n2C)CC1 ZINC000332328814 498651344 /nfs/dbraw/zinc/65/13/44/498651344.db2.gz KVQLSKFJTADDEI-UHFFFAOYSA-N -1 3 369.252 3.077 20 0 FGADHM C[C@@H]1Cc2ncn(Cc3nc4c(cnn4-c4ccccc4)c(=O)[n-]3)c2C[C@@H]1C ZINC000298111106 498668033 /nfs/dbraw/zinc/66/80/33/498668033.db2.gz JNVAHNAQGZJKIZ-KGLIPLIRSA-N -1 3 374.448 3.137 20 0 FGADHM O=C(NC[C@H](c1ccccc1)N1CCCC1)c1s[n-]c(=O)c1Cl ZINC000282851852 498679898 /nfs/dbraw/zinc/67/98/98/498679898.db2.gz BXUYIOYVXAAKLT-GFCCVEGCSA-N -1 3 351.859 3.069 20 0 FGADHM O=C(N[C@@H](CC(=O)N1CCC[C@H]1CF)c1ccccc1)c1ccc([O-])cc1 ZINC000294443165 498695032 /nfs/dbraw/zinc/69/50/32/498695032.db2.gz VNLOHRKMXJGGCB-HKUYNNGSSA-N -1 3 370.424 3.214 20 0 FGADHM CC[C@H](Cc1ccccc1Br)Nc1nc2nncc-2c(O)[n-]1 ZINC000290857036 498702086 /nfs/dbraw/zinc/70/20/86/498702086.db2.gz YCBLCFQALIJYSC-SNVBAGLBSA-N -1 3 362.231 3.254 20 0 FGADHM CC(C)c1ccc(-c2nc(-c3ccc([N-]S(C)(=O)=O)cc3)no2)nc1 ZINC000572925110 506084168 /nfs/dbraw/zinc/08/41/68/506084168.db2.gz XENAHRLXKYYMOW-UHFFFAOYSA-N -1 3 358.423 3.294 20 0 FGADHM CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000298270373 498717108 /nfs/dbraw/zinc/71/71/08/498717108.db2.gz PEJSVUIYFIEESU-MRXNPFEDSA-N -1 3 362.451 3.163 20 0 FGADHM CC[C@H](CC(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)C(C)C ZINC000303876580 498724664 /nfs/dbraw/zinc/72/46/64/498724664.db2.gz QUVVOSKUTXZQSI-GFCCVEGCSA-N -1 3 356.463 3.277 20 0 FGADHM CC(C)NC(=O)[C@@H]1CCC[C@H](NC(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000332602132 498738428 /nfs/dbraw/zinc/73/84/28/498738428.db2.gz MUEKZBRZBLRLSZ-WBVHZDCISA-N -1 3 354.450 3.359 20 0 FGADHM COC(=O)C1(CS(=O)(=O)[N-]c2cccc(COC(C)C)c2)CCCC1 ZINC000572927283 506084862 /nfs/dbraw/zinc/08/48/62/506084862.db2.gz GGSUQQREOJHMCK-UHFFFAOYSA-N -1 3 369.483 3.087 20 0 FGADHM CCC(CC)(CC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1)C(=O)[O-] ZINC000311884320 498754657 /nfs/dbraw/zinc/75/46/57/498754657.db2.gz CBOQQRWCCGPEMR-GOSISDBHSA-N -1 3 360.498 3.296 20 0 FGADHM Cc1cccc(OC2CCN(C(=O)c3ccc4n[n-]nc4c3)CC2)c1C ZINC000363340483 498771344 /nfs/dbraw/zinc/77/13/44/498771344.db2.gz RACOQNHTQQYYMK-UHFFFAOYSA-N -1 3 350.422 3.258 20 0 FGADHM CCOc1cc(CN[C@H]2CC(=O)N(C3CCCCC3)C2)cc(Cl)c1[O-] ZINC000579083368 506090078 /nfs/dbraw/zinc/09/00/78/506090078.db2.gz CEUDKAGKGIMYST-AWEZNQCLSA-N -1 3 366.889 3.468 20 0 FGADHM Cc1noc([C@H](C)N(C)C(=O)c2cc(OCc3ccccc3)ccc2[O-])n1 ZINC000576171617 506092918 /nfs/dbraw/zinc/09/29/18/506092918.db2.gz RQRBWCNZSDERMP-ZDUSSCGKSA-N -1 3 367.405 3.496 20 0 FGADHM O=S(=O)([N-]CC1(O)CCCCC1)c1cc(C(F)(F)F)ccc1Cl ZINC000320781929 498809412 /nfs/dbraw/zinc/80/94/12/498809412.db2.gz RWHQNVMGUVFQRI-UHFFFAOYSA-N -1 3 371.808 3.332 20 0 FGADHM O=C(Cc1cncc([O-])c1)Nc1nnc([C@H]2CCCc3ccccc32)s1 ZINC000572974089 506093491 /nfs/dbraw/zinc/09/34/91/506093491.db2.gz LUFKSXIRZLYROP-INIZCTEOSA-N -1 3 366.446 3.288 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-][C@H](c1ccccn1)C1CCCC1 ZINC000366184595 498811764 /nfs/dbraw/zinc/81/17/64/498811764.db2.gz VXBASXORHSMURI-HNNXBMFYSA-N -1 3 352.481 3.362 20 0 FGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@H]3CCC[C@@H](CO)C3)s2)cs1 ZINC000581932606 506093781 /nfs/dbraw/zinc/09/37/81/506093781.db2.gz JWKKBWUIEXMXRB-NEPJUHHUSA-N -1 3 372.537 3.009 20 0 FGADHM O=S(=O)([N-][C@@H]1CCC[C@H](CO)C1)c1cc(C(F)(F)F)ccc1Cl ZINC000323720150 498822698 /nfs/dbraw/zinc/82/26/98/498822698.db2.gz KQDWCHOAGZBKTA-GXSJLCMTSA-N -1 3 371.808 3.188 20 0 FGADHM CC(C)(C)OC(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)CCC1CCC1 ZINC000327747081 498862777 /nfs/dbraw/zinc/86/27/77/498862777.db2.gz LMHCLGYWYBWVMO-QGZVFWFLSA-N -1 3 367.511 3.049 20 0 FGADHM O=C(N[C@@H]1CC[C@@H]2CCCC[C@H]2C1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000333031431 498875631 /nfs/dbraw/zinc/87/56/31/498875631.db2.gz HNWKMBWFHSMHAU-IMBTUZDBSA-N -1 3 370.493 3.472 20 0 FGADHM O=C([O-])[C@@H](c1ccccc1F)N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000570167807 506106397 /nfs/dbraw/zinc/10/63/97/506106397.db2.gz ABVJYPIVUAUHEB-MAUKXSAKSA-N -1 3 351.418 3.002 20 0 FGADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCC(F)(F)[C@H](CO)C1 ZINC000291300076 498884467 /nfs/dbraw/zinc/88/44/67/498884467.db2.gz QVBGMTFXJWWMEX-ZDUSSCGKSA-N -1 3 363.360 3.274 20 0 FGADHM O=S(=O)([N-][C@@H]1CC12CCOCC2)c1ccc(Cl)cc1C(F)(F)F ZINC000333084958 498894470 /nfs/dbraw/zinc/89/44/70/498894470.db2.gz MUXOFVMEYKGDDM-GFCCVEGCSA-N -1 3 369.792 3.206 20 0 FGADHM Cc1cn2c(n1)[C@H](CNC(=O)c1cc([O-])ccc1C(F)(F)F)CCC2 ZINC000366369232 498895007 /nfs/dbraw/zinc/89/50/07/498895007.db2.gz HWFRJLYTVJFWFX-NSHDSACASA-N -1 3 353.344 3.223 20 0 FGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]C1C[C@H]2CC[C@@H](C1)N2C ZINC000576228232 506107945 /nfs/dbraw/zinc/10/79/45/506107945.db2.gz WZBVCGLEQLJRTF-AGUYFDCRSA-N -1 3 368.886 3.298 20 0 FGADHM CCc1nccn1[C@@H]1CCCN(C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)C1 ZINC000333104143 498901502 /nfs/dbraw/zinc/90/15/02/498901502.db2.gz VXZKLSNZVHQIOM-OAHLLOKOSA-N -1 3 369.465 3.342 20 0 FGADHM Cc1n[nH]cc1-c1nnc(NC(=O)c2cc([O-])ccc2C(F)(F)F)s1 ZINC000366398763 498908346 /nfs/dbraw/zinc/90/83/46/498908346.db2.gz JYUVZHHDAFPTKR-UHFFFAOYSA-N -1 3 369.328 3.213 20 0 FGADHM CCc1cc(C(=O)Nc2ccc(NS(=O)(=O)CC)c(C)c2)ccc1[O-] ZINC000291372830 498915009 /nfs/dbraw/zinc/91/50/09/498915009.db2.gz ASBDGGWOCPYTQN-UHFFFAOYSA-N -1 3 362.451 3.277 20 0 FGADHM CO[C@H](CS(=O)(=O)[N-]c1ccc(C)c(NC(C)=O)c1)c1ccccc1 ZINC000295156666 498928043 /nfs/dbraw/zinc/92/80/43/498928043.db2.gz GAAVUSKOZPGTTP-GOSISDBHSA-N -1 3 362.451 3.083 20 0 FGADHM COc1ccc2c(c1)C[C@H](C)N(C(=O)c1cc(F)cc3[n-]nnc31)[C@@H]2C ZINC000328784604 498938170 /nfs/dbraw/zinc/93/81/70/498938170.db2.gz KFUPVWCOJBSTOY-WDEREUQCSA-N -1 3 354.385 3.254 20 0 FGADHM COc1ccc2c(c1)C[C@H](C)N(C(=O)c1cc(F)cc3nn[n-]c31)[C@@H]2C ZINC000328784604 498938173 /nfs/dbraw/zinc/93/81/73/498938173.db2.gz KFUPVWCOJBSTOY-WDEREUQCSA-N -1 3 354.385 3.254 20 0 FGADHM COc1ccc2c(c1)C[C@H](C)N(C(=O)c1cc(F)cc3n[n-]nc31)[C@@H]2C ZINC000328784604 498938176 /nfs/dbraw/zinc/93/81/76/498938176.db2.gz KFUPVWCOJBSTOY-WDEREUQCSA-N -1 3 354.385 3.254 20 0 FGADHM COc1ccc2c(c1)[n-]cc(C(=O)N1CCS[C@@H]3CCCC[C@@H]31)c2=O ZINC000333211036 498938679 /nfs/dbraw/zinc/93/86/79/498938679.db2.gz ZQYFXHQAMGOGIU-DLBZAZTESA-N -1 3 358.463 3.037 20 0 FGADHM COCC[C@H]([N-]S(=O)(=O)C[C@@H]1CCCCC1(F)F)c1ccco1 ZINC000295197695 498939526 /nfs/dbraw/zinc/93/95/26/498939526.db2.gz SBCVNFFQSZSQSY-STQMWFEESA-N -1 3 351.415 3.102 20 0 FGADHM CO[C@@H](CS(=O)(=O)[N-]c1ccc([C@@H]2CCOC2)cc1)c1ccccc1 ZINC000295200278 498941242 /nfs/dbraw/zinc/94/12/42/498941242.db2.gz NBIISSIBOLCCCL-MJGOQNOKSA-N -1 3 361.463 3.320 20 0 FGADHM C[C@H](C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C)c1ccc(Cl)s1 ZINC000291440152 498941681 /nfs/dbraw/zinc/94/16/81/498941681.db2.gz BSNWQJMFUUKBOG-QMMMGPOBSA-N -1 3 365.842 3.040 20 0 FGADHM CC1(C)CN(C(=O)CCc2ccc3ccccc3c2[O-])C[C@]2(CCOC2)O1 ZINC000295203084 498942056 /nfs/dbraw/zinc/94/20/56/498942056.db2.gz SSXXRBYBROZWEU-QFIPXVFZSA-N -1 3 369.461 3.275 20 0 FGADHM COc1cc2c(cc1F)[n-]cc(C(=O)N1CC3(CCC3)[C@H]1C(C)C)c2=O ZINC000576259318 506115655 /nfs/dbraw/zinc/11/56/55/506115655.db2.gz FTCFUTJRBZEBIV-GOSISDBHSA-N -1 3 358.413 3.327 20 0 FGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2sccc2C)cc1OC ZINC000299049382 498950536 /nfs/dbraw/zinc/95/05/36/498950536.db2.gz ZHVNALVVHNOMNW-UHFFFAOYSA-N -1 3 354.453 3.079 20 0 FGADHM CC[C@](C)([N-]S(=O)(=O)c1cccnc1C(F)(F)F)c1nccs1 ZINC000288150763 498954193 /nfs/dbraw/zinc/95/41/93/498954193.db2.gz NQXXVLFUZJVQND-LBPRGKRZSA-N -1 3 365.402 3.161 20 0 FGADHM Cc1oc2ncn(C)c(=O)c2c1C(=O)[N-]c1onc(C2CCCCC2)c1C ZINC000291487269 498961026 /nfs/dbraw/zinc/96/10/26/498961026.db2.gz SAVVDBZNSWLJIL-UHFFFAOYSA-N -1 3 370.409 3.431 20 0 FGADHM O=C1CC[C@@H]([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)[C@H](C2CC2)N1 ZINC000328869521 498967585 /nfs/dbraw/zinc/96/75/85/498967585.db2.gz HPTRQINSSFJQAV-OCCSQVGLSA-N -1 3 363.266 3.169 20 0 FGADHM O=C(C/C=C/c1ccc(F)cc1)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000291518491 498974103 /nfs/dbraw/zinc/97/41/03/498974103.db2.gz XSVSMOHYKRYEAQ-XYHHVPKHSA-N -1 3 372.362 3.146 20 0 FGADHM CCc1cc(C(=O)Nc2cccc(OCC(=O)N3CCCC3)c2)ccc1[O-] ZINC000291516919 498974597 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20 0 FGADHM C[C@@H]([N-]S(=O)(=O)Cc1cc(Cl)cc(Cl)c1)c1csnn1 ZINC000416629862 500075760 /nfs/dbraw/zinc/07/57/60/500075760.db2.gz HNCTUXFYBTVBJX-SSDOTTSWSA-N -1 3 352.268 3.026 20 0 FGADHM CC(=O)c1ccc(C(=O)N2CCC[C@H](C)[C@H]2C(=O)OC(C)(C)C)cc1[O-] ZINC000425330236 500075711 /nfs/dbraw/zinc/07/57/11/500075711.db2.gz XOASBXPKUFAIJJ-SJCJKPOMSA-N -1 3 361.438 3.177 20 0 FGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](C)c2csnn2)c1Cl ZINC000416633371 500076384 /nfs/dbraw/zinc/07/63/84/500076384.db2.gz MMZGMQPZLLNCLG-SSDOTTSWSA-N -1 3 352.268 3.193 20 0 FGADHM CC(C)(C[N-]S(=O)(=O)c1ccccc1C(F)(F)F)c1cccnc1 ZINC000416637343 500076981 /nfs/dbraw/zinc/07/69/81/500076981.db2.gz XYRNUHBLUMRURP-UHFFFAOYSA-N -1 3 358.385 3.357 20 0 FGADHM O=S(=O)([N-]C[C@@H]1CC12CC2)c1cc(Br)ccc1Cl ZINC000416648400 500078582 /nfs/dbraw/zinc/07/85/82/500078582.db2.gz OIBYVOJSJSBJAW-QMMMGPOBSA-N -1 3 350.665 3.181 20 0 FGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@H]1CCC[C@@H](CO)C1 ZINC000416669434 500081679 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Cn1[n-]c(=NC(=O)N(Cc2ccccc2)CC2CCC2)cc1OC(F)F ZINC000429640190 500116621 /nfs/dbraw/zinc/11/66/21/500116621.db2.gz LZPRAJCOCPURHK-UHFFFAOYSA-N -1 3 364.396 3.278 20 0 FGADHM C[C@@H](OC(C)(C)C)[C@H](NCc1ccc(Br)cc1F)C(=O)[O-] ZINC000417584269 500117154 /nfs/dbraw/zinc/11/71/54/500117154.db2.gz MFXNKEHCYVNXEM-RNCFNFMXSA-N -1 3 362.239 3.335 20 0 FGADHM O=C([O-])[C@@H](CN1CCCc2ccccc21)NCc1cc(Cl)cs1 ZINC000417583920 500117170 /nfs/dbraw/zinc/11/71/70/500117170.db2.gz XDVSYQBQPVGDHE-OAHLLOKOSA-N -1 3 350.871 3.397 20 0 FGADHM C[C@@H](CNCc1csc(-c2cccc(Br)c2)n1)C(=O)[O-] ZINC000417589561 500118400 /nfs/dbraw/zinc/11/84/00/500118400.db2.gz VJBARBZVXSQOQP-VIFPVBQESA-N -1 3 355.257 3.383 20 0 FGADHM C[C@@H](OC(C)(C)C)[C@H](NCc1ccc(Br)c(F)c1)C(=O)[O-] ZINC000417592086 500119543 /nfs/dbraw/zinc/11/95/43/500119543.db2.gz XQZJHVPQKHUVNB-RNCFNFMXSA-N -1 3 362.239 3.335 20 0 FGADHM COc1c(Br)cccc1CN[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C ZINC000417590229 500119680 /nfs/dbraw/zinc/11/96/80/500119680.db2.gz WBGQJYIPCLMJTP-MFKMUULPSA-N -1 3 374.275 3.204 20 0 FGADHM Cc1ccc2c(CN3CCNC(=O)C[C@@H]3c3ccccc3)ccc([O-])c2n1 ZINC000429677880 500122279 /nfs/dbraw/zinc/12/22/79/500122279.db2.gz DPXWKANAKNJXLY-LJQANCHMSA-N -1 3 361.445 3.312 20 0 FGADHM CCCC[C@@H](NCc1c(Br)cc(OC)cc1OC)C(=O)[O-] ZINC000417602358 500123043 /nfs/dbraw/zinc/12/30/43/500123043.db2.gz UWOXRQHHUJITPQ-CYBMUJFWSA-N -1 3 360.248 3.199 20 0 FGADHM Cc1nn(Cc2ccc(Cl)cc2)c(C)c1CN[C@H]1C=C[C@H](C(=O)[O-])C1 ZINC000417624154 500128082 /nfs/dbraw/zinc/12/80/82/500128082.db2.gz QCYHKGUVQBQQBT-RDJZCZTQSA-N -1 3 359.857 3.321 20 0 FGADHM O=C([O-])C[C@@H](CNCc1cc(Cl)c2c(c1)OCCCO2)C(F)(F)F ZINC000417626781 500129119 /nfs/dbraw/zinc/12/91/19/500129119.db2.gz NOTAVQBUNOWTOM-JTQLQIEISA-N -1 3 367.751 3.244 20 0 FGADHM O=C([O-])[C@H](CCSc1ccccc1)NCc1cccc2c1OCCO2 ZINC000417627310 500129430 /nfs/dbraw/zinc/12/94/30/500129430.db2.gz UPHPDAQAJPJOEX-INIZCTEOSA-N -1 3 359.447 3.183 20 0 FGADHM Cn1c(CN[C@@H](CCSc2ccccc2)C(=O)[O-])nc2ccccc21 ZINC000417631437 500131122 /nfs/dbraw/zinc/13/11/22/500131122.db2.gz YVRADETZZMXUCD-INIZCTEOSA-N -1 3 355.463 3.299 20 0 FGADHM O=C([O-])[C@H]1C=C[C@H](NCc2ccc(OC(F)F)c(Br)c2)C1 ZINC000417631025 500131328 /nfs/dbraw/zinc/13/13/28/500131328.db2.gz YSDAZLPAQLLGHF-UWVGGRQHSA-N -1 3 362.170 3.169 20 0 FGADHM O=c1cc(C=Cc2ncc(I)s2)nc(C2CC2)[n-]1 ZINC000414071879 500145342 /nfs/dbraw/zinc/14/53/42/500145342.db2.gz KYKUNIVMBUABEO-ONEGZZNKSA-N -1 3 371.203 3.291 20 0 FGADHM CC[C@H](Cc1ccccc1C)C(=O)Nc1c(C(=O)OC)c[n-]c1C(=O)OC ZINC000425565345 500148662 /nfs/dbraw/zinc/14/86/62/500148662.db2.gz VVPTZUAAWDZRAK-CYBMUJFWSA-N -1 3 372.421 3.104 20 0 FGADHM CC(C)(C)c1nnsc1C(=O)[N-]c1cc(C(N)=O)c(Cl)cc1Cl ZINC000425572332 500149589 /nfs/dbraw/zinc/14/95/89/500149589.db2.gz QECVTUQDVSJLCK-UHFFFAOYSA-N -1 3 373.265 3.494 20 0 FGADHM Cc1ccsc1[C@H](CO)[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000429815283 500149879 /nfs/dbraw/zinc/14/98/79/500149879.db2.gz PVNKACIRENTRIT-NSHDSACASA-N -1 3 366.291 3.375 20 0 FGADHM 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COC(=O)c1ccc([O-])c(NC(=O)[C@@H]2CCCCN2Cc2ccccc2)c1 ZINC000436515303 501145805 /nfs/dbraw/zinc/14/58/05/501145805.db2.gz SAYITVWIGOWVQS-SFHVURJKSA-N -1 3 368.433 3.172 20 0 FGADHM CCCCOc1ccc(C(=O)N2CCN(c3cnccc3C)CC2)c([O-])c1 ZINC000436518696 501146495 /nfs/dbraw/zinc/14/64/95/501146495.db2.gz SLJCRRMUUSDODU-UHFFFAOYSA-N -1 3 369.465 3.237 20 0 FGADHM COc1ccc2c(c1)N(C(=O)c1cc(OC)c([O-])c(OC)c1)CCCC2 ZINC000436524185 501147249 /nfs/dbraw/zinc/14/72/49/501147249.db2.gz ZAFMEWYAYRICHS-UHFFFAOYSA-N -1 3 357.406 3.401 20 0 FGADHM Cc1cnn(Cc2cc(C(=O)Nc3ccc(C(C)(C)C)cc3[O-])no2)c1 ZINC000436521348 501147741 /nfs/dbraw/zinc/14/77/41/501147741.db2.gz LVZDJBGPWWRJKF-UHFFFAOYSA-N -1 3 354.410 3.483 20 0 FGADHM COC(=O)[C@@H](c1ccccc1)N(C)C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436530993 501149128 /nfs/dbraw/zinc/14/91/28/501149128.db2.gz RURPOUGKNILECU-LJQANCHMSA-N -1 3 353.418 3.257 20 0 FGADHM COC(=O)[C@@H](C)CN(Cc1ccccc1)C(=O)c1ccc(C)c(C)c1[O-] ZINC000436536816 501151207 /nfs/dbraw/zinc/15/12/07/501151207.db2.gz CRTFSAIVDHFROF-HNNXBMFYSA-N -1 3 355.434 3.461 20 0 FGADHM Cc1ccc(C(=O)N2CCCN(C(=O)CC3CCCC3)CC2)c([O-])c1C ZINC000436543749 501152411 /nfs/dbraw/zinc/15/24/11/501152411.db2.gz JGDOPFCIWVUFSA-UHFFFAOYSA-N -1 3 358.482 3.264 20 0 FGADHM CCCN(CC(=O)OCC)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436544261 501152574 /nfs/dbraw/zinc/15/25/74/501152574.db2.gz KRKYWNNMMCZZLZ-UHFFFAOYSA-N -1 3 355.434 3.398 20 0 FGADHM CCCc1ccc([C@@H](C)N(CC(N)=O)C(=O)c2ccc(OC)cc2[O-])cc1 ZINC000436550372 501154138 /nfs/dbraw/zinc/15/41/38/501154138.db2.gz SYTOQZVKQNKBOS-CQSZACIVSA-N -1 3 370.449 3.042 20 0 FGADHM COC(=O)[C@H]1CN(C(=O)c2cc3c(cc2[O-])CCCC3)c2ccccc21 ZINC000436549252 501154303 /nfs/dbraw/zinc/15/43/03/501154303.db2.gz VMMPCXJAAHSTJN-KRWDZBQOSA-N -1 3 351.402 3.188 20 0 FGADHM CCOC(=O)C[C@H](NC(=O)Cc1ccc([O-])c(F)c1)c1ccccc1C ZINC000450021899 501157375 /nfs/dbraw/zinc/15/73/75/501157375.db2.gz ACTKMMGIEORCSE-KRWDZBQOSA-N -1 3 359.397 3.193 20 0 FGADHM O=C(c1cc(OCc2ccccc2)ccc1[O-])N1CC(OCC(F)F)C1 ZINC000436571695 501159384 /nfs/dbraw/zinc/15/93/84/501159384.db2.gz BVYMYXPUYWLOMT-UHFFFAOYSA-N -1 3 363.360 3.077 20 0 FGADHM COc1ccccc1-c1noc([C@@H](C)NC(=O)c2cc(C)ccc2[O-])n1 ZINC000436571328 501159403 /nfs/dbraw/zinc/15/94/03/501159403.db2.gz CPKQQRFUFFHMHU-GFCCVEGCSA-N -1 3 353.378 3.250 20 0 FGADHM COC(=O)[C@H]1CCCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC000436571005 501159714 /nfs/dbraw/zinc/15/97/14/501159714.db2.gz UMDGUKBGAHVGTO-AWEZNQCLSA-N -1 3 355.390 3.210 20 0 FGADHM C[C@H](O)C[C@@H](CNC(=O)c1ccc2c(c1[O-])OC(C)(C)C2)c1ccccc1 ZINC000436583460 501162785 /nfs/dbraw/zinc/16/27/85/501162785.db2.gz HBLOVYRSRDVBAK-YOEHRIQHSA-N -1 3 369.461 3.390 20 0 FGADHM C[C@H](CO[C@H]1CCOC1)NC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436584310 501163057 /nfs/dbraw/zinc/16/30/57/501163057.db2.gz MIUVYFXBUMAPQK-APWZRJJASA-N -1 3 369.461 3.101 20 0 FGADHM CC[C@H]1Oc2cc([C@@H](C)NC(=O)c3ccc(OC)cc3[O-])ccc2NC1=O ZINC000436588357 501163911 /nfs/dbraw/zinc/16/39/11/501163911.db2.gz MMDGQVQRYMSAEF-PIGZYNQJSA-N -1 3 370.405 3.001 20 0 FGADHM COC(=O)CCN(Cc1ccncc1)C(=O)c1ccc(C(C)C)cc1[O-] ZINC000436590738 501165196 /nfs/dbraw/zinc/16/51/96/501165196.db2.gz UGEAVBDVOGCHTK-UHFFFAOYSA-N -1 3 356.422 3.116 20 0 FGADHM CC[C@@H](NC(=O)c1ccc(C(C)=O)c([O-])c1)c1ccc2c(c1)OCCO2 ZINC000436595655 501165906 /nfs/dbraw/zinc/16/59/06/501165906.db2.gz MMJUAEMBWRDLPL-MRXNPFEDSA-N -1 3 355.390 3.247 20 0 FGADHM CNC(=O)Nc1cc(NC(=O)c2cc3c(cc2[O-])CCCC3)ccc1F ZINC000436598817 501166917 /nfs/dbraw/zinc/16/69/17/501166917.db2.gz BAPAKNPIEKPULU-UHFFFAOYSA-N -1 3 357.385 3.414 20 0 FGADHM Cc1sc(=O)n(Cc2nc(-c3ccc([O-])c4ccccc34)no2)c1C ZINC000436610732 501169280 /nfs/dbraw/zinc/16/92/80/501169280.db2.gz JWOBCNMFKHCMFX-UHFFFAOYSA-N -1 3 353.403 3.484 20 0 FGADHM CC(C)OCc1nc([C@H](C)NC(=O)c2cc3c(cc2[O-])CCCC3)no1 ZINC000436613539 501169992 /nfs/dbraw/zinc/16/99/92/501169992.db2.gz WALOTFLAITUGOB-LBPRGKRZSA-N -1 3 359.426 3.070 20 0 FGADHM Cc1ccc(CNC(=O)c2ccc(O)cc2[O-])c(OCC(F)(F)F)c1 ZINC000436625745 501172875 /nfs/dbraw/zinc/17/28/75/501172875.db2.gz MXBAQSXLYNQSNC-UHFFFAOYSA-N -1 3 355.312 3.277 20 0 FGADHM CSc1ccccc1[C@H](C)NC(=O)N=c1cc(OC(F)F)n(C)[n-]1 ZINC000441797217 501172921 /nfs/dbraw/zinc/17/29/21/501172921.db2.gz SNLCBPQIBQBYPX-VIFPVBQESA-N -1 3 356.398 3.048 20 0 FGADHM COc1cccc(C(C)(C)CNC(=O)c2cc(=O)c3ccccc3[n-]2)c1 ZINC000441819981 501175585 /nfs/dbraw/zinc/17/55/85/501175585.db2.gz IZYLGUGCMQRLCW-UHFFFAOYSA-N -1 3 350.418 3.244 20 0 FGADHM O=C(N[C@@H](c1ccccc1F)C1CCCC1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000446878550 501176102 /nfs/dbraw/zinc/17/61/02/501176102.db2.gz ZRZJSXXXOHPKPR-GOSISDBHSA-N -1 3 366.392 3.371 20 0 FGADHM CC[C@H](NC(=O)c1ccccc1[O-])[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000436646160 501177753 /nfs/dbraw/zinc/17/77/53/501177753.db2.gz GEALPQIXGPHGAF-PKOBYXMFSA-N -1 3 350.422 3.090 20 0 FGADHM O=C(Nc1cccc(CN2CC[C@@H](O)C2)c1)c1cc(F)cc(Cl)c1[O-] ZINC000436647424 501177826 /nfs/dbraw/zinc/17/78/26/501177826.db2.gz KNMLSXMEHUJBSD-CQSZACIVSA-N -1 3 364.804 3.004 20 0 FGADHM COc1cccc(C(C)(C)C[N-]S(=O)(=O)c2cc(F)cc(F)c2)c1 ZINC000441878152 501179611 /nfs/dbraw/zinc/17/96/11/501179611.db2.gz AVQFXGJLOKYYKV-UHFFFAOYSA-N -1 3 355.406 3.230 20 0 FGADHM COC[C@@H]([N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1)C1CC1 ZINC000441879051 501179632 /nfs/dbraw/zinc/17/96/32/501179632.db2.gz MCXVPOAXZKVSRT-CYBMUJFWSA-N -1 3 372.899 3.167 20 0 FGADHM CN(CCc1cccc(Br)c1)C(=O)c1c([O-])cccc1O ZINC000436654217 501179798 /nfs/dbraw/zinc/17/97/98/501179798.db2.gz HOUVNLSHWMLCCB-UHFFFAOYSA-N -1 3 350.212 3.175 20 0 FGADHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1CCC[C@H](CC)CC1 ZINC000441886928 501180933 /nfs/dbraw/zinc/18/09/33/501180933.db2.gz CCAGGVXLALCIBJ-ZDUSSCGKSA-N -1 3 366.483 3.210 20 0 FGADHM C[C@@H]1COCC[C@H]1CNC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436666612 501182349 /nfs/dbraw/zinc/18/23/49/501182349.db2.gz UQQXORPCYORXFE-WBVHZDCISA-N -1 3 355.434 3.374 20 0 FGADHM CC1CCN([C@@H](CNC(=O)c2ccc(O)cc2[O-])c2cccs2)CC1 ZINC000436675793 501186074 /nfs/dbraw/zinc/18/60/74/501186074.db2.gz XVHCTWHSMJEOCI-INIZCTEOSA-N -1 3 360.479 3.362 20 0 FGADHM CN(C[C@@H]1OCCc2ccccc21)C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436682468 501186585 /nfs/dbraw/zinc/18/65/85/501186585.db2.gz QESWLDBLZUTQDD-SFHVURJKSA-N -1 3 367.445 3.492 20 0 FGADHM Cc1ccc(Cl)c([N-]S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c1C ZINC000446969301 501188095 /nfs/dbraw/zinc/18/80/95/501188095.db2.gz IZNVLJOTIUGCFK-UHFFFAOYSA-N -1 3 366.826 3.203 20 0 FGADHM O=C(c1ccc(O)cc1[O-])N(CCCOc1ccccc1)C1CCOCC1 ZINC000436688491 501188625 /nfs/dbraw/zinc/18/86/25/501188625.db2.gz ONLFRGWXKWNEBD-UHFFFAOYSA-N -1 3 371.433 3.188 20 0 FGADHM COc1cc(-c2nc(-c3ccnc(OC(C)C)c3)no2)cc(OC)c1[O-] ZINC000436687359 501188750 /nfs/dbraw/zinc/18/87/50/501188750.db2.gz HPXQRXNACMJYFS-UHFFFAOYSA-N -1 3 357.366 3.309 20 0 FGADHM CCc1ccc2c(c1)[C@H](CCNC(=O)c1ccc([O-])c(CC)c1)C(=O)N2 ZINC000436695942 501190455 /nfs/dbraw/zinc/19/04/55/501190455.db2.gz NNSNDBWVNVGSBH-INIZCTEOSA-N -1 3 352.434 3.373 20 0 FGADHM CCOC(=O)[C@H](CNC(=O)c1ccc([O-])c(CC)c1)Cc1ccccc1 ZINC000436698488 501190564 /nfs/dbraw/zinc/19/05/64/501190564.db2.gz OHOSZOMDJVKZOC-SFHVURJKSA-N -1 3 355.434 3.106 20 0 FGADHM CC(C)(C)[C@@H](O)C[C@H](CO)NC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436702834 501191420 /nfs/dbraw/zinc/19/14/20/501191420.db2.gz GHTYTYAMUKYTCI-KUHUBIRLSA-N -1 3 373.449 3.072 20 0 FGADHM C[C@H](C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1)c1ccccc1F ZINC000436700155 501191652 /nfs/dbraw/zinc/19/16/52/501191652.db2.gz XWOZHZJXCCHGBN-AWEZNQCLSA-N -1 3 370.424 3.056 20 0 FGADHM Cc1ccc(C(=O)N[C@@H](CO)c2ccc(Br)cc2)c([O-])c1C ZINC000436708934 501193165 /nfs/dbraw/zinc/19/31/65/501193165.db2.gz ZHAIXEKDEAURLZ-HNNXBMFYSA-N -1 3 364.239 3.235 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N2CCC[C@H]2c2ccc(F)cc2)c([O-])c1 ZINC000436708556 501193334 /nfs/dbraw/zinc/19/33/34/501193334.db2.gz SEEUUFWZYSHQPJ-SFHVURJKSA-N -1 3 370.424 3.323 20 0 FGADHM COc1cc(C(=O)N(C)Cc2cc(C(C)(C)C)[nH]n2)cc(Cl)c1[O-] ZINC000447060293 501198833 /nfs/dbraw/zinc/19/88/33/501198833.db2.gz OXQSQSWJTLQLJP-UHFFFAOYSA-N -1 3 351.834 3.347 20 0 FGADHM CC(C)Cc1ccc([C@H](CNC(=O)C(=O)c2ccc([O-])cc2)N(C)C)cc1 ZINC000436735727 501201018 /nfs/dbraw/zinc/20/10/18/501201018.db2.gz FBUXVIIJUZPHIK-FQEVSTJZSA-N -1 3 368.477 3.193 20 0 FGADHM Cc1ccc(C(=O)N[C@H](C)C2CCN(CC(F)(F)F)CC2)c([O-])c1C ZINC000436742779 501202226 /nfs/dbraw/zinc/20/22/26/501202226.db2.gz YIKJXVQWIRSMFU-CYBMUJFWSA-N -1 3 358.404 3.402 20 0 FGADHM Cc1nc(C(C)C)ccc1CN1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436747195 501202930 /nfs/dbraw/zinc/20/29/30/501202930.db2.gz LCCKLXVPRJJZGD-UHFFFAOYSA-N -1 3 353.466 3.177 20 0 FGADHM CCC[C@@H]1CN(C(=O)c2ccc(O)cc2[O-])CCN1Cc1ccccc1 ZINC000436744820 501203476 /nfs/dbraw/zinc/20/34/76/501203476.db2.gz PYLJPGDQUXVJAP-QGZVFWFLSA-N -1 3 354.450 3.225 20 0 FGADHM COc1cccc(C(=O)NCc2ccc(C)cc2OC[C@@H]2CCCO2)c1[O-] ZINC000436749774 501204077 /nfs/dbraw/zinc/20/40/77/501204077.db2.gz UFWQLLQXEWYQQR-INIZCTEOSA-N -1 3 371.433 3.197 20 0 FGADHM CC[C@H](C)N(CC(=O)OC)C(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436766462 501208075 /nfs/dbraw/zinc/20/80/75/501208075.db2.gz DNECTBZXYJTTRQ-HNNXBMFYSA-N -1 3 371.433 3.385 20 0 FGADHM CC(=O)N[C@@H](Cc1nc(-c2ccc([O-])cc2)no1)c1c(F)cccc1F ZINC000436768881 501208294 /nfs/dbraw/zinc/20/82/94/501208294.db2.gz LLWFKXAIDUKFMC-HNNXBMFYSA-N -1 3 359.332 3.140 20 0 FGADHM O=C(NCCOCc1ccc(Cl)cc1Cl)c1c([O-])cccc1O ZINC000436769435 501208476 /nfs/dbraw/zinc/20/84/76/501208476.db2.gz NZCIRAYOALCCEM-UHFFFAOYSA-N -1 3 356.205 3.351 20 0 FGADHM C[C@H]1CCC[C@H](CCNC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)C1 ZINC000436771024 501208794 /nfs/dbraw/zinc/20/87/94/501208794.db2.gz RSNNXWVHPYHZKY-DLBZAZTESA-N -1 3 373.497 3.076 20 0 FGADHM Cc1cc(CS(=O)(=O)[N-][C@H](c2ccccc2)c2cccc(F)c2)on1 ZINC000447161762 501210812 /nfs/dbraw/zinc/21/08/12/501210812.db2.gz BLODRDHBOWADGQ-GOSISDBHSA-N -1 3 360.410 3.331 20 0 FGADHM Cc1ccc(C(=O)N[C@H](CO)c2ccc(Br)c(F)c2)c([O-])c1 ZINC000436788985 501211439 /nfs/dbraw/zinc/21/14/39/501211439.db2.gz AQIBETRDQZSDHN-CQSZACIVSA-N -1 3 368.202 3.066 20 0 FGADHM COc1ccc([C@H](C)CCNC(=O)c2cc(NC(C)=O)ccc2[O-])cc1 ZINC000436786108 501211554 /nfs/dbraw/zinc/21/15/54/501211554.db2.gz HFOLMCLCTKBDOS-CYBMUJFWSA-N -1 3 356.422 3.283 20 0 FGADHM COc1cc(-c2nc(-c3c(C)nc4sc(C)cn43)no2)cc(OC)c1[O-] ZINC000436787012 501211607 /nfs/dbraw/zinc/21/16/07/501211607.db2.gz UNQSBGPWHKEBHB-UHFFFAOYSA-N -1 3 372.406 3.452 20 0 FGADHM C[C@@H](Cc1cc(Br)ccc1F)NC(=O)c1ccc(O)cc1[O-] ZINC000436791446 501212236 /nfs/dbraw/zinc/21/22/36/501212236.db2.gz RPSWIVLYALEUGD-VIFPVBQESA-N -1 3 368.202 3.360 20 0 FGADHM CC[C@H](CNC(=O)c1cc(NC(C)=O)ccc1[O-])Oc1ccccc1F ZINC000436790082 501212346 /nfs/dbraw/zinc/21/23/46/501212346.db2.gz NDKCXKMEHFVVQP-CQSZACIVSA-N -1 3 360.385 3.077 20 0 FGADHM CCO[C@H]1C[C@@H](N(C)C(=O)c2cc(OC)c([O-])c(OC)c2)C1(CC)CC ZINC000436806998 501214283 /nfs/dbraw/zinc/21/42/83/501214283.db2.gz HCWWUWKDTHAFFS-SJORKVTESA-N -1 3 365.470 3.465 20 0 FGADHM CCCN(C)[C@H](CNC(=O)C(=O)c1ccc([O-])cc1)c1ccc(Cl)cc1 ZINC000436816485 501215657 /nfs/dbraw/zinc/21/56/57/501215657.db2.gz DRZZAUXKSLVOAQ-GOSISDBHSA-N -1 3 374.868 3.428 20 0 FGADHM CCc1ccc(-c2nc(-c3ccc(NS(C)(=O)=O)cc3)no2)c([O-])c1 ZINC000436835576 501219138 /nfs/dbraw/zinc/21/91/38/501219138.db2.gz APPKPWXUDIBYDO-UHFFFAOYSA-N -1 3 359.407 3.043 20 0 FGADHM Cc1cccc([C@H]2CCN(C(=O)CCNC(=O)c3ccc(C)cc3[O-])C2)c1 ZINC000436842244 501219940 /nfs/dbraw/zinc/21/99/40/501219940.db2.gz CLGGEXGLYMYGFM-SFHVURJKSA-N -1 3 366.461 3.145 20 0 FGADHM O=C(NC[C@@H](NCc1ccccc1)c1ccco1)c1cc(F)ccc1[O-] ZINC000436858476 501222371 /nfs/dbraw/zinc/22/23/71/501222371.db2.gz UOBNDVBRXCDHGB-QGZVFWFLSA-N -1 3 354.381 3.385 20 0 FGADHM CCc1ccc(-c2nc(CC(=O)Nc3ccc(OC)cc3)no2)c([O-])c1 ZINC000436872224 501224935 /nfs/dbraw/zinc/22/49/35/501224935.db2.gz LTDCOGLLKAOKTG-UHFFFAOYSA-N -1 3 353.378 3.194 20 0 FGADHM CCc1ccc(-c2nc(CC(=O)N(C)Cc3ccccc3)no2)c([O-])c1 ZINC000436877818 501225984 /nfs/dbraw/zinc/22/59/84/501225984.db2.gz BZSAOVYEWHBADX-UHFFFAOYSA-N -1 3 351.406 3.206 20 0 FGADHM CC(C)c1ccc(/C=C\CC(=O)NCCNC(=O)c2ccc([O-])cc2)cc1 ZINC000436886749 501227045 /nfs/dbraw/zinc/22/70/45/501227045.db2.gz OEGBCYGWALJMMP-ARJAWSKDSA-N -1 3 366.461 3.465 20 0 FGADHM CC[C@@H](C)N(CC(=O)OC)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436893717 501228752 /nfs/dbraw/zinc/22/87/52/501228752.db2.gz OETJREOJWRJJOZ-OAHLLOKOSA-N -1 3 355.434 3.397 20 0 FGADHM COc1cccc(-c2nc(Cc3cc(Cl)c4c(c3)OCCO4)no2)c1[O-] ZINC000436895034 501229249 /nfs/dbraw/zinc/22/92/49/501229249.db2.gz HNONAHQUCRHFJP-UHFFFAOYSA-N -1 3 374.780 3.466 20 0 FGADHM O=C(NCCNC(=O)c1ccc(C2=CCCC2)cc1)c1ccc([O-])cc1 ZINC000436911650 501231469 /nfs/dbraw/zinc/23/14/69/501231469.db2.gz UPWFAOCTAVRWPF-UHFFFAOYSA-N -1 3 350.418 3.119 20 0 FGADHM Cc1ccc(C(=O)N[C@@H](CO)c2ccccc2OC(F)(F)F)c([O-])c1 ZINC000436914120 501231787 /nfs/dbraw/zinc/23/17/87/501231787.db2.gz KQOXQHGJZOLWNS-ZDUSSCGKSA-N -1 3 355.312 3.063 20 0 FGADHM COc1ccsc1C(=O)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1 ZINC000436913848 501232013 /nfs/dbraw/zinc/23/20/13/501232013.db2.gz HIGUCTDYQAUDSW-UHFFFAOYSA-N -1 3 350.787 3.153 20 0 FGADHM CC(C)(CF)NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436919905 501232473 /nfs/dbraw/zinc/23/24/73/501232473.db2.gz NDZOFVHYFZYKON-KRWDZBQOSA-N -1 3 358.413 3.118 20 0 FGADHM CS(=O)(=O)c1cc(-c2noc(-c3cc4ccccc4cc3[O-])n2)ccn1 ZINC000436918609 501232751 /nfs/dbraw/zinc/23/27/51/501232751.db2.gz JGCVWSAWYVPZFC-UHFFFAOYSA-N -1 3 367.386 3.061 20 0 FGADHM CCCCNS(=O)(=O)c1cccc(NC(=O)c2ccc([O-])c(C)c2)c1 ZINC000436920578 501232948 /nfs/dbraw/zinc/23/29/48/501232948.db2.gz HEXUSKOOXPNBJG-UHFFFAOYSA-N -1 3 362.451 3.031 20 0 FGADHM COc1cccc(-c2nc(-c3ccnc(OCC(F)(F)F)c3)no2)c1[O-] ZINC000436920878 501233207 /nfs/dbraw/zinc/23/32/07/501233207.db2.gz UEWYNIMZFNKRFF-UHFFFAOYSA-N -1 3 367.283 3.454 20 0 FGADHM CO[C@@H](CS(=O)(=O)[N-]c1cccc(OCCF)c1)c1ccccc1 ZINC000451024567 501240039 /nfs/dbraw/zinc/24/00/39/501240039.db2.gz IIMNLTKTYRDOMQ-KRWDZBQOSA-N -1 3 353.415 3.164 20 0 FGADHM COC[C@H]([N-]S(=O)(=O)Cc1c(F)cccc1Cl)c1ccccc1 ZINC000451162151 501249286 /nfs/dbraw/zinc/24/92/86/501249286.db2.gz NOVKLHIRVHQIQP-INIZCTEOSA-N -1 3 357.834 3.286 20 0 FGADHM COC(=O)c1ncccc1S(=O)(=O)[N-][C@@H]1C[C@H](C(C)C)c2ccccc21 ZINC000451479793 501302040 /nfs/dbraw/zinc/30/20/40/501302040.db2.gz OEGCQTDEWMDDPO-HZPDHXFCSA-N -1 3 374.462 3.031 20 0 FGADHM C[C@@H]1CC(C[N-]S(=O)(=O)c2ccc3ccccc3c2F)C[C@@H](C)O1 ZINC000451490197 501305239 /nfs/dbraw/zinc/30/52/39/501305239.db2.gz LGIIAJBBGMZVRY-CHWSQXEVSA-N -1 3 351.443 3.461 20 0 FGADHM CCCn1c(=O)[n-]c(=O)c2cc(-c3nc(C(C)(C)C4CCC4)no3)cnc21 ZINC000453274942 501305496 /nfs/dbraw/zinc/30/54/96/501305496.db2.gz XTAOQSYVLQXDRB-UHFFFAOYSA-N -1 3 369.425 3.035 20 0 FGADHM CCCCS(=O)(=O)[N-]Cc1nc(-c2cccc(C(C)(F)F)c2)no1 ZINC000453361695 501320425 /nfs/dbraw/zinc/32/04/25/501320425.db2.gz OZDNSLKWQLECPT-UHFFFAOYSA-N -1 3 359.398 3.068 20 0 FGADHM CC(C)(CO)[C@@H]([N-]S(=O)(=O)c1ccc2ccccc2c1F)C1CC1 ZINC000451562715 501325368 /nfs/dbraw/zinc/32/53/68/501325368.db2.gz CXJHOWBBOGZRQW-KRWDZBQOSA-N -1 3 351.443 3.054 20 0 FGADHM O=S(=O)([N-]CCCC1CCOCC1)c1cccc(Cl)c1Cl ZINC000451611427 501336507 /nfs/dbraw/zinc/33/65/07/501336507.db2.gz WMXFUUOFTBQEMN-UHFFFAOYSA-N -1 3 352.283 3.479 20 0 FGADHM COc1cccc(NC(=O)[C@@H](c2ccccc2)N2CC[C@](C)(C(=O)[O-])C2)c1 ZINC000455639271 501353391 /nfs/dbraw/zinc/35/33/91/501353391.db2.gz OJWCEDYNFPXHQH-NQIIRXRSSA-N -1 3 368.433 3.172 20 0 FGADHM CC(C)[C@@H]1C[C@H](C[N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)CCO1 ZINC000451816728 501378426 /nfs/dbraw/zinc/37/84/26/501378426.db2.gz JSAWEGJQLHMOGW-MNOVXSKESA-N -1 3 371.446 3.496 20 0 FGADHM Cc1ccc(F)c(CC[N-]S(=O)(=O)c2cccnc2C(F)(F)F)c1 ZINC000451915316 501400290 /nfs/dbraw/zinc/40/02/90/501400290.db2.gz HSPUSUVFNYFDIS-UHFFFAOYSA-N -1 3 362.348 3.069 20 0 FGADHM CO[C@H]([C@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)C1CC1 ZINC000452002059 501416531 /nfs/dbraw/zinc/41/65/31/501416531.db2.gz YIROMQHUCBEZDV-ISVAXAHUSA-N -1 3 371.808 3.451 20 0 FGADHM CC(C)(O)C(C)(C)C[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000452031160 501420979 /nfs/dbraw/zinc/42/09/79/501420979.db2.gz JTOTXFSTXZWSOJ-UHFFFAOYSA-N -1 3 373.824 3.434 20 0 FGADHM CCC[C@@H](NC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O)C1CCC1 ZINC000458326874 501421145 /nfs/dbraw/zinc/42/11/45/501421145.db2.gz JPJYOCYIGBUFDQ-GOSISDBHSA-N -1 3 368.481 3.158 20 0 FGADHM CCO[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc(-c2csc(C)n2)s1 ZINC000452061901 501427227 /nfs/dbraw/zinc/42/72/27/501427227.db2.gz QPXOTGJFYNGRRQ-DGCLKSJQSA-N -1 3 372.537 3.416 20 0 FGADHM Cc1csc(S(=O)(=O)[N-][C@@H](c2cccs2)C2(CO)CCC2)c1 ZINC000452094137 501433563 /nfs/dbraw/zinc/43/35/63/501433563.db2.gz VCWJXECKTGKRSQ-AWEZNQCLSA-N -1 3 357.522 3.300 20 0 FGADHM CCOc1nc2cc(C(=O)N(C)[C@H](CO)c3ccc(Cl)cc3)ccc2[n-]1 ZINC000456081982 501450653 /nfs/dbraw/zinc/45/06/53/501450653.db2.gz SQEHLZGKPQKCSO-QGZVFWFLSA-N -1 3 373.840 3.421 20 0 FGADHM CCOc1nc2ccc(C(=O)N(C)[C@H](CO)c3ccc(Cl)cc3)cc2[n-]1 ZINC000456081982 501450657 /nfs/dbraw/zinc/45/06/57/501450657.db2.gz SQEHLZGKPQKCSO-QGZVFWFLSA-N -1 3 373.840 3.421 20 0 FGADHM CCOC[C@@H]1CCCCN1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000458560083 501474884 /nfs/dbraw/zinc/47/48/84/501474884.db2.gz VZXAZNJMKMYNQH-ZDUSSCGKSA-N -1 3 371.275 3.255 20 0 FGADHM COc1cccc(C(=O)N[C@H](CCO)c2cccc(C(F)(F)F)c2)c1[O-] ZINC000452527841 501518403 /nfs/dbraw/zinc/51/84/03/501518403.db2.gz AEXDXTNUDQFMQC-CQSZACIVSA-N -1 3 369.339 3.273 20 0 FGADHM CCOC(=O)[C@@H]1CCC[C@@H]1NC(=O)CCc1ccc2ccccc2c1[O-] ZINC000456424844 501523405 /nfs/dbraw/zinc/52/34/05/501523405.db2.gz RYIBFGSCWHHAEA-MSOLQXFVSA-N -1 3 355.434 3.326 20 0 FGADHM C[C@H](F)CCNC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000458867515 501548982 /nfs/dbraw/zinc/54/89/82/501548982.db2.gz BWMFEHCJKUCNGF-NSHDSACASA-N -1 3 371.840 3.154 20 0 FGADHM COc1cc2c(cc1F)[n-]cc(C(=O)NC[C@H]1CCCCC1(F)F)c2=O ZINC000452713772 501550249 /nfs/dbraw/zinc/55/02/49/501550249.db2.gz LZYSLNBGAWYKJV-SNVBAGLBSA-N -1 3 368.355 3.231 20 0 FGADHM Cc1c(Br)ccc([O-])c1NC(=O)CCC(=O)NC1CCCC1 ZINC000452749599 501555914 /nfs/dbraw/zinc/55/59/14/501555914.db2.gz MKHGEPHDNWRCCE-UHFFFAOYSA-N -1 3 369.259 3.241 20 0 FGADHM CCc1cc(C(=O)N[C@H](C)C(=O)N2c3ccccc3C[C@H]2C)ccc1[O-] ZINC000456604253 501556657 /nfs/dbraw/zinc/55/66/57/501556657.db2.gz CPMJVFCKJBERSM-ZIAGYGMSSA-N -1 3 352.434 3.051 20 0 FGADHM Cc1c(C(=O)Nc2c([O-])ccc(Br)c2C)nn2c1OCCC2 ZINC000452762436 501558982 /nfs/dbraw/zinc/55/89/82/501558982.db2.gz YNZBHQYCRQCGHV-UHFFFAOYSA-N -1 3 366.215 3.003 20 0 FGADHM CCOC(=O)C[C@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1ccncc1 ZINC000456927278 501620775 /nfs/dbraw/zinc/62/07/75/501620775.db2.gz TWQCHLIGDJUJEH-KRWDZBQOSA-N -1 3 374.412 3.060 20 0 FGADHM CCOc1cc(CN2CCN(C(=O)N(CC)CC)CC2)cc(Cl)c1[O-] ZINC000459312283 501629312 /nfs/dbraw/zinc/62/93/12/501629312.db2.gz YQHVRUQBQMOTKA-UHFFFAOYSA-N -1 3 369.893 3.024 20 0 FGADHM CC(C)(C)C[C@@H]1CCN(C(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)C1 ZINC000457015975 501635464 /nfs/dbraw/zinc/63/54/64/501635464.db2.gz LCINETUIZGAULS-LBPRGKRZSA-N -1 3 356.463 3.096 20 0 FGADHM Cc1n[nH]c(C)c1[C@@H]1COCCN1Cc1cccc([O-])c1Br ZINC000459354633 501637795 /nfs/dbraw/zinc/63/77/95/501637795.db2.gz MQHRDHRDSCWKIB-ZDUSSCGKSA-N -1 3 366.259 3.068 20 0 FGADHM CC[C@@H]1CN(C(C)=O)[C@H](CC)CN1Cc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000459357287 501638258 /nfs/dbraw/zinc/63/82/58/501638258.db2.gz MBNIVRBFANWTSH-RTBURBONSA-N -1 3 368.481 3.071 20 0 FGADHM O=c1cc(CN2CC[C@@H](c3nc(C4CC4)no3)C2)nc(-c2ccccc2)[n-]1 ZINC000459457694 501657595 /nfs/dbraw/zinc/65/75/95/501657595.db2.gz GSYQDJAFYORMNQ-OAHLLOKOSA-N -1 3 363.421 3.099 20 0 FGADHM CC(C)[C@H](NCc1cc(=O)[n-]c(C2CC2)n1)c1ccc2c(c1)OCCO2 ZINC000459462623 501658386 /nfs/dbraw/zinc/65/83/86/501658386.db2.gz GUGSISZUDNGPJE-IBGZPJMESA-N -1 3 355.438 3.318 20 0 FGADHM CN(C)C(=O)C1(NCc2cccc([O-])c2Br)CCCCC1 ZINC000459583686 501681304 /nfs/dbraw/zinc/68/13/04/501681304.db2.gz TUEHSCYWNCBPQJ-UHFFFAOYSA-N -1 3 355.276 3.035 20 0 FGADHM Cc1cc(F)ccc1[C@H]1CCCN1C(=O)N=c1cc(OC(F)F)n(C)[n-]1 ZINC000455208565 501708017 /nfs/dbraw/zinc/70/80/17/501708017.db2.gz MHDCTBVKJDNAGG-CYBMUJFWSA-N -1 3 368.359 3.260 20 0 FGADHM CC[C@H](C)[C@@H]([N-]S(C)(=O)=O)C(=O)Nc1ccc(OCCC(C)C)cc1 ZINC000467202392 501736078 /nfs/dbraw/zinc/73/60/78/501736078.db2.gz ROJQAFXLPBUDKH-WMLDXEAASA-N -1 3 370.515 3.014 20 0 FGADHM COC(=O)c1c(F)ccc([N-]C(=O)c2coc(Br)c2)c1F ZINC000485151359 501740592 /nfs/dbraw/zinc/74/05/92/501740592.db2.gz WYEMFFOKRFKFMS-UHFFFAOYSA-N -1 3 360.110 3.359 20 0 FGADHM Cc1ccccc1CS(=O)(=O)[N-][C@H](CC(C)C)C(=O)OC(C)(C)C ZINC000470608792 501741844 /nfs/dbraw/zinc/74/18/44/501741844.db2.gz GCZSQACXAVLYAS-MRXNPFEDSA-N -1 3 355.500 3.171 20 0 FGADHM CCc1[n-][nH]c(=NC(=O)N[C@H](c2ccc(OC)cc2)C(F)(F)F)c1C ZINC000481332539 501746513 /nfs/dbraw/zinc/74/65/13/501746513.db2.gz ULKXJFVQYXCGJF-CYBMUJFWSA-N -1 3 356.348 3.136 20 0 FGADHM Cc1cnc(C(=O)Nc2cccc(CN3CCSCC3)c2C)c([O-])c1 ZINC000460192474 501755707 /nfs/dbraw/zinc/75/57/07/501755707.db2.gz SMEBJPGLTSSYFU-UHFFFAOYSA-N -1 3 357.479 3.205 20 0 FGADHM Cc1cccc(CS(=O)(=O)[N-][C@@H](CO)c2c(Cl)cccc2Cl)c1 ZINC000481464731 501783916 /nfs/dbraw/zinc/78/39/16/501783916.db2.gz MQDLCANYKIZQGA-HNNXBMFYSA-N -1 3 374.289 3.455 20 0 FGADHM C[C@H](NC(=O)c1c[n-]c2ccccc2c1=O)c1ccc(Br)cn1 ZINC000477802218 501791889 /nfs/dbraw/zinc/79/18/89/501791889.db2.gz SWFPVHJAEUBXPB-JTQLQIEISA-N -1 3 372.222 3.177 20 0 FGADHM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1ccc(O[C@H]2CCOC2)cc1 ZINC000485396621 501807995 /nfs/dbraw/zinc/80/79/95/501807995.db2.gz XKPSNSBYDPRIFM-KRWDZBQOSA-N -1 3 365.426 3.411 20 0 FGADHM CCc1ncc(S(=O)(=O)[N-][C@H]2CC[C@H](c3ccccc3F)C2)s1 ZINC000481608632 501831557 /nfs/dbraw/zinc/83/15/57/501831557.db2.gz WKTCJHLUFVFNKS-RYUDHWBXSA-N -1 3 354.472 3.459 20 0 FGADHM CCOC(=O)c1c(C2CC2)csc1[N-]C(=O)C(=O)N1CCC[C@@H]1CC ZINC000467631778 501836890 /nfs/dbraw/zinc/83/68/90/501836890.db2.gz YORDTWABPNQOFC-LBPRGKRZSA-N -1 3 364.467 3.142 20 0 FGADHM CCO[C@@H](C)c1ncc(C(=O)[N-]c2ccc(C(=O)OC)cc2F)s1 ZINC000463875102 501844684 /nfs/dbraw/zinc/84/46/84/501844684.db2.gz LQMMPFXGJAGOEI-VIFPVBQESA-N -1 3 352.387 3.419 20 0 FGADHM O=C(N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1)c1cc(F)cc2nccnc21 ZINC000467712022 501851090 /nfs/dbraw/zinc/85/10/90/501851090.db2.gz ALLDKIWVJDAOID-UHFFFAOYSA-N -1 3 369.306 3.111 20 0 FGADHM COc1cccc(CCC(=O)N=c2cc(-c3cc(F)cc(F)c3)[n-][nH]2)c1 ZINC000467714852 501852364 /nfs/dbraw/zinc/85/23/64/501852364.db2.gz SEYYSIKXZHJTJI-UHFFFAOYSA-N -1 3 357.360 3.357 20 0 FGADHM COC(=O)c1cc(F)cc([N-]C(=O)c2ccoc2Br)c1F ZINC000478061280 501869018 /nfs/dbraw/zinc/86/90/18/501869018.db2.gz ATZMOMHOCAVJIA-UHFFFAOYSA-N -1 3 360.110 3.359 20 0 FGADHM O=S(=O)([N-]Cc1nccn1-c1ccccc1)c1cc(F)ccc1Cl ZINC000460591707 501871451 /nfs/dbraw/zinc/87/14/51/501871451.db2.gz PIXCKRFSPCFZPP-UHFFFAOYSA-N -1 3 365.817 3.143 20 0 FGADHM Cc1ccc([C@H]2OCCC[C@H]2[N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000467797378 501876580 /nfs/dbraw/zinc/87/65/80/501876580.db2.gz HRQGCJBUVSJMAH-QZTJIDSGSA-N -1 3 367.417 3.472 20 0 FGADHM C[C@@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)c1cccc(Br)c1 ZINC000485644410 501887067 /nfs/dbraw/zinc/88/70/67/501887067.db2.gz NUTRYYBOQHFKJH-SNVBAGLBSA-N -1 3 372.226 3.371 20 0 FGADHM C[C@@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)c1cccc(Br)c1 ZINC000485644410 501887071 /nfs/dbraw/zinc/88/70/71/501887071.db2.gz NUTRYYBOQHFKJH-SNVBAGLBSA-N -1 3 372.226 3.371 20 0 FGADHM COc1ccc(S(=O)(=O)[N-][C@H](c2ccco2)c2ccccc2)c(F)c1 ZINC000478144262 501892357 /nfs/dbraw/zinc/89/23/57/501892357.db2.gz UHHSPYWPMXMHHT-SFHVURJKSA-N -1 3 361.394 3.495 20 0 FGADHM Cc1cc(C(=O)N[C@@H](CO)c2ccccc2OC(F)(F)F)ccc1[O-] ZINC000478159189 501896618 /nfs/dbraw/zinc/89/66/18/501896618.db2.gz WQZKGVBPSZFNBO-ZDUSSCGKSA-N -1 3 355.312 3.063 20 0 FGADHM CCCCc1nc(C(=O)OCC)c(NC(=O)c2ccc(C)nc2OCC)[n-]1 ZINC000485672670 501896582 /nfs/dbraw/zinc/89/65/82/501896582.db2.gz OPYDFAFLSXCXMR-UHFFFAOYSA-N -1 3 374.441 3.283 20 0 FGADHM CCCCc1nc(NC(=O)c2ccc(C)nc2OCC)c(C(=O)OCC)[n-]1 ZINC000485672670 501896586 /nfs/dbraw/zinc/89/65/86/501896586.db2.gz OPYDFAFLSXCXMR-UHFFFAOYSA-N -1 3 374.441 3.283 20 0 FGADHM COc1cc(C(=O)Nc2ccc(NC(=O)NC(C)C)cc2)cc(OC)c1[O-] ZINC000481881144 501908058 /nfs/dbraw/zinc/90/80/58/501908058.db2.gz ZIGVBNOCKRXWKA-UHFFFAOYSA-N -1 3 373.409 3.192 20 0 FGADHM COc1ccc(Oc2ccc(NC(=O)NCc3ncccc3[O-])cn2)cc1 ZINC000467931814 501909021 /nfs/dbraw/zinc/90/90/21/501909021.db2.gz ONNBARULJJOVNM-UHFFFAOYSA-N -1 3 366.377 3.305 20 0 FGADHM CCCCc1nc(C(=O)OCC)c(NC(=O)c2ccc(F)c(F)c2)[n-]1 ZINC000485711262 501911275 /nfs/dbraw/zinc/91/12/75/501911275.db2.gz RJMFFTZVXANYKN-UHFFFAOYSA-N -1 3 351.353 3.460 20 0 FGADHM CCCCc1nc(NC(=O)c2ccc(F)c(F)c2)c(C(=O)OCC)[n-]1 ZINC000485711262 501911276 /nfs/dbraw/zinc/91/12/76/501911276.db2.gz RJMFFTZVXANYKN-UHFFFAOYSA-N -1 3 351.353 3.460 20 0 FGADHM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccncc2Br)cc1 ZINC000481919189 501917405 /nfs/dbraw/zinc/91/74/05/501917405.db2.gz HFXNIQVYQDNIFT-UHFFFAOYSA-N -1 3 369.284 3.364 20 0 FGADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)[C@@H](OC1CCCC1)c1ccccc1 ZINC000481917682 501918166 /nfs/dbraw/zinc/91/81/66/501918166.db2.gz GRDBFPWMMXLYOP-AWEZNQCLSA-N -1 3 368.359 3.140 20 0 FGADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)[C@@H](OC1CCCC1)c1ccccc1 ZINC000481917682 501918171 /nfs/dbraw/zinc/91/81/71/501918171.db2.gz GRDBFPWMMXLYOP-AWEZNQCLSA-N -1 3 368.359 3.140 20 0 FGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)[C@@H](OC1CCCC1)c1ccccc1 ZINC000481917682 501918178 /nfs/dbraw/zinc/91/81/78/501918178.db2.gz GRDBFPWMMXLYOP-AWEZNQCLSA-N -1 3 368.359 3.140 20 0 FGADHM Cc1nccc(N2CCC([N-]S(=O)(=O)c3cccs3)CC2)c1Cl ZINC000478263522 501924997 /nfs/dbraw/zinc/92/49/97/501924997.db2.gz WWIZJMGSEWKLOI-UHFFFAOYSA-N -1 3 371.915 3.052 20 0 FGADHM CCN=c1[n-]c(C(=O)N[C@@H](CC)c2nc(-c3ccccc3)c[nH]2)cs1 ZINC000478287405 501933063 /nfs/dbraw/zinc/93/30/63/501933063.db2.gz UCNZCEJJPHMTRR-ZDUSSCGKSA-N -1 3 355.467 3.268 20 0 FGADHM CCc1ncc(S(=O)(=O)[N-]CC2(c3ccc(OC)cc3)CCC2)s1 ZINC000460901007 501954818 /nfs/dbraw/zinc/95/48/18/501954818.db2.gz CODUPYOTVUAPJD-UHFFFAOYSA-N -1 3 366.508 3.114 20 0 FGADHM Cc1cccc(-c2noc(CS(=O)(=O)[N-]C3CCC(C)CC3)n2)c1F ZINC000485855136 501963422 /nfs/dbraw/zinc/96/34/22/501963422.db2.gz BQCCISKFASMACO-UHFFFAOYSA-N -1 3 367.446 3.182 20 0 FGADHM C[C@@H](NCc1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1)c1ccccc1Cl ZINC000482078810 501967084 /nfs/dbraw/zinc/96/70/84/501967084.db2.gz QMUBBPSCIOAQBD-CWTRNNRKSA-N -1 3 357.841 3.245 20 0 FGADHM O=C(NCc1ncccc1[O-])Nc1ccccc1OC[C@H]1CCCCO1 ZINC000471253429 501968415 /nfs/dbraw/zinc/96/84/15/501968415.db2.gz MTORZLHOCWDWSC-CQSZACIVSA-N -1 3 357.410 3.057 20 0 FGADHM C[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccccc1OC(F)(F)F ZINC000464373459 501969839 /nfs/dbraw/zinc/96/98/39/501969839.db2.gz FISAZRGWYJMUHA-ZETCQYMHSA-N -1 3 351.268 3.204 20 0 FGADHM 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COCCOc1ccccc1CNC(=O)CCCc1ccc([O-])c(F)c1 ZINC000468637731 502132495 /nfs/dbraw/zinc/13/24/95/502132495.db2.gz KGMOGLASYVADLT-UHFFFAOYSA-N -1 3 361.413 3.196 20 0 FGADHM Cc1cc(C)c2[n-]cc(C(=O)N3CCN(c4ccccc4)CC3)c(=O)c2c1 ZINC000482642953 502137562 /nfs/dbraw/zinc/13/75/62/502137562.db2.gz QAQKYOKKSKSKTA-UHFFFAOYSA-N -1 3 361.445 3.107 20 0 FGADHM [O-]c1cccnc1CNCc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000475342725 502141763 /nfs/dbraw/zinc/14/17/63/502141763.db2.gz LVVYZXQNAQRVHW-UHFFFAOYSA-N -1 3 357.417 3.325 20 0 FGADHM CO[C@@H]1CCOc2c(NC(=O)c3c[n-]c4ccccc4c3=O)cccc21 ZINC000468674450 502142638 /nfs/dbraw/zinc/14/26/38/502142638.db2.gz UHFCLTGQARJQIZ-QGZVFWFLSA-N -1 3 350.374 3.250 20 0 FGADHM CO[C@@H]1CCOc2c(NC(=O)c3cnc4ccccc4c3[O-])cccc21 ZINC000468674450 502142642 /nfs/dbraw/zinc/14/26/42/502142642.db2.gz UHFCLTGQARJQIZ-QGZVFWFLSA-N -1 3 350.374 3.250 20 0 FGADHM CCOC(=O)c1sc([N-]C(=O)c2ccc(C(C)=O)o2)nc1C(C)C ZINC000486464269 502160892 /nfs/dbraw/zinc/16/08/92/502160892.db2.gz VNTMVFSMLQRBNJ-UHFFFAOYSA-N -1 3 350.396 3.491 20 0 FGADHM COC(=O)c1ccc([C@H]([N-]C(=O)[C@H](C)C(F)(F)F)C(F)(F)F)cc1 ZINC000479114192 502167885 /nfs/dbraw/zinc/16/78/85/502167885.db2.gz GIECBUALBXVKBT-XVKPBYJWSA-N -1 3 357.250 3.391 20 0 FGADHM CCc1ccnc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3ccc(C)cc3)n2)c1 ZINC000482753830 502170805 /nfs/dbraw/zinc/17/08/05/502170805.db2.gz MUDOTHXJJMQUGW-CYBMUJFWSA-N -1 3 372.450 3.042 20 0 FGADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2c(F)cc(Cl)cc2Cl)o1 ZINC000479144427 502175240 /nfs/dbraw/zinc/17/52/40/502175240.db2.gz XAISGBJZHLGUSX-UHFFFAOYSA-N -1 3 368.169 3.313 20 0 FGADHM COC[C@@](C)([N-]S(=O)(=O)c1ccc(OC(C)C)c(C)c1)C(F)(F)F ZINC000479150686 502176053 /nfs/dbraw/zinc/17/60/53/502176053.db2.gz ARXLQPPKJKKHLF-CQSZACIVSA-N -1 3 369.405 3.028 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]c2c(F)cc(F)cc2Br)o1 ZINC000479147967 502176558 /nfs/dbraw/zinc/17/65/58/502176558.db2.gz NBGRJMHSBQAKRA-UHFFFAOYSA-N -1 3 352.156 3.430 20 0 FGADHM O=C(CCCc1ccc([O-])c(F)c1)NCCOc1ccc(F)cc1F ZINC000468773939 502178424 /nfs/dbraw/zinc/17/84/24/502178424.db2.gz BCJIUTBHKVMPOK-UHFFFAOYSA-N -1 3 353.340 3.327 20 0 FGADHM CO[C@@H](CNC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1)C(C)(C)C ZINC000465060833 502184292 /nfs/dbraw/zinc/18/42/92/502184292.db2.gz VYSSQVQGDOQURN-INIZCTEOSA-N -1 3 358.442 3.340 20 0 FGADHM CCC(C)(C)CC(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000465061309 502184703 /nfs/dbraw/zinc/18/47/03/502184703.db2.gz WXTOTJTXFQTJBJ-UHFFFAOYSA-N -1 3 366.405 3.292 20 0 FGADHM Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000482851752 502197050 /nfs/dbraw/zinc/19/70/50/502197050.db2.gz CODNKTRBFSKDQK-JTQLQIEISA-N -1 3 371.363 3.238 20 0 FGADHM Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000482851752 502197051 /nfs/dbraw/zinc/19/70/51/502197051.db2.gz CODNKTRBFSKDQK-JTQLQIEISA-N -1 3 371.363 3.238 20 0 FGADHM Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000482851752 502197053 /nfs/dbraw/zinc/19/70/53/502197053.db2.gz CODNKTRBFSKDQK-JTQLQIEISA-N -1 3 371.363 3.238 20 0 FGADHM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H](C)C(C)C ZINC000468837371 502200682 /nfs/dbraw/zinc/20/06/82/502200682.db2.gz DTAHWXLTTTWQLL-QWHCGFSZSA-N -1 3 363.907 3.324 20 0 FGADHM CC[C@@H]1CCCN1C(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000472027741 502204241 /nfs/dbraw/zinc/20/42/41/502204241.db2.gz QMPBPDFRAVBQJG-CYBMUJFWSA-N -1 3 364.389 3.092 20 0 FGADHM COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-]Cc1ccccc1 ZINC000475531713 502205488 /nfs/dbraw/zinc/20/54/88/502205488.db2.gz XGDZXJBUROBLQD-UHFFFAOYSA-N -1 3 369.870 3.234 20 0 FGADHM Cc1cccc(F)c1S(=O)(=O)[N-]Cc1cc(Br)cs1 ZINC000475554543 502212243 /nfs/dbraw/zinc/21/22/43/502212243.db2.gz SHFKDZIZVWHUEZ-UHFFFAOYSA-N -1 3 364.261 3.437 20 0 FGADHM COC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@H](C)c2cccc(Cl)c2)c1 ZINC000486625646 502212801 /nfs/dbraw/zinc/21/28/01/502212801.db2.gz PTSKZANJFGNRGN-SNVBAGLBSA-N -1 3 371.817 3.305 20 0 FGADHM CC[C@@H](C)c1nc([C@@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2F)n[nH]1 ZINC000486629313 502213670 /nfs/dbraw/zinc/21/36/70/502213670.db2.gz MSFYQVXCWDURKR-RKDXNWHRSA-N -1 3 360.842 3.150 20 0 FGADHM Cc1cccc(F)c1S(=O)(=O)[N-][C@H](C)COc1ccc(F)cc1F ZINC000475568097 502214561 /nfs/dbraw/zinc/21/45/61/502214561.db2.gz MHDIFWGVYXEVOG-LLVKDONJSA-N -1 3 359.369 3.158 20 0 FGADHM COC(=O)CCCC(=O)N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1 ZINC000461864362 502216213 /nfs/dbraw/zinc/21/62/13/502216213.db2.gz IQAFKBBNSBEQNY-UHFFFAOYSA-N -1 3 356.209 3.087 20 0 FGADHM C[C@@H](NC(=O)NCc1ncccc1[O-])c1cccc(OC(F)(F)F)c1 ZINC000472066323 502217420 /nfs/dbraw/zinc/21/74/20/502217420.db2.gz SCHIMQVKFQOCQT-SNVBAGLBSA-N -1 3 355.316 3.246 20 0 FGADHM CCc1cc(C(=O)NCc2cc3c(cc2OC(F)F)OCO3)ccc1[O-] ZINC000486645676 502218095 /nfs/dbraw/zinc/21/80/95/502218095.db2.gz NAFHSUFJNSTVOC-UHFFFAOYSA-N -1 3 365.332 3.215 20 0 FGADHM Cc1ccc(F)c(S(=O)(=O)[N-]Cc2ccc(OC(C)(C)C)nc2)c1 ZINC000486643491 502218176 /nfs/dbraw/zinc/21/81/76/502218176.db2.gz HLPUYRMEPFGYHQ-UHFFFAOYSA-N -1 3 352.431 3.185 20 0 FGADHM COC(=O)c1csc(S(=O)(=O)[N-][C@H](C)c2ccccc2Cl)c1 ZINC000486648768 502219334 /nfs/dbraw/zinc/21/93/34/502219334.db2.gz ZWZZRQQYWNSRGR-SECBINFHSA-N -1 3 359.856 3.228 20 0 FGADHM Cc1cccc(F)c1S(=O)(=O)[N-][C@H](COCC(C)C)c1ccco1 ZINC000475591216 502221962 /nfs/dbraw/zinc/22/19/62/502221962.db2.gz UIVYTFLIZLRYDQ-OAHLLOKOSA-N -1 3 355.431 3.419 20 0 FGADHM CC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(F)ccc1OCCOC ZINC000468907330 502225310 /nfs/dbraw/zinc/22/53/10/502225310.db2.gz KGGSXTDMFJKFNS-DZGCQCFKSA-N -1 3 359.463 3.098 20 0 FGADHM CC[C@H](C)CN(C)C(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000472102810 502231506 /nfs/dbraw/zinc/23/15/06/502231506.db2.gz WVPCUHZBHFULKF-JTQLQIEISA-N -1 3 366.405 3.195 20 0 FGADHM C[C@@H]1CCCN(c2cc(C(=O)N=c3cc(-c4ccccc4)[n-][nH]3)ccn2)C1 ZINC000461907526 502232014 /nfs/dbraw/zinc/23/20/14/502232014.db2.gz MALMFUHDZVEVDO-OAHLLOKOSA-N -1 3 361.449 3.382 20 0 FGADHM Cc1ccc(CCN(Cc2ccco2)C(=O)c2cc(C)nc(=O)[n-]2)cc1 ZINC000461912627 502233600 /nfs/dbraw/zinc/23/36/00/502233600.db2.gz CZNIRKSAOXSNGV-UHFFFAOYSA-N -1 3 351.406 3.277 20 0 FGADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H](C)COCC(F)(F)F ZINC000472116225 502237383 /nfs/dbraw/zinc/23/73/83/502237383.db2.gz WCEXSCMPVPORDH-QMMMGPOBSA-N -1 3 369.336 3.126 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CC[C@](C)(c3ccc(F)cc3)C2)c1 ZINC000482999443 502240231 /nfs/dbraw/zinc/24/02/31/502240231.db2.gz MFMUJBYUUUGLMS-FQEVSTJZSA-N -1 3 356.397 3.294 20 0 FGADHM COc1cc([C@H](C)NC(=O)c2cc(C)nc(=O)[n-]2)ccc1OC1CCCC1 ZINC000483039661 502253619 /nfs/dbraw/zinc/25/36/19/502253619.db2.gz KDHFVWZUUBBUOX-ZDUSSCGKSA-N -1 3 371.437 3.312 20 0 FGADHM CS(=O)(=O)c1ccc(F)c([N-]C(=O)c2coc3cc(F)ccc23)c1 ZINC000483110556 502276042 /nfs/dbraw/zinc/27/60/42/502276042.db2.gz NYJNZIXPKCBLJC-UHFFFAOYSA-N -1 3 351.330 3.367 20 0 FGADHM CCCC[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1C(=O)OC)C1CCC1 ZINC000465493436 502278573 /nfs/dbraw/zinc/27/85/73/502278573.db2.gz HCWYXEVLEXSAQG-OAHLLOKOSA-N -1 3 357.447 3.250 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-]CCCOc1cccc(C)c1C ZINC000486846283 502283363 /nfs/dbraw/zinc/28/33/63/502283363.db2.gz OULGBYRVDKDEEP-UHFFFAOYSA-N -1 3 355.481 3.121 20 0 FGADHM COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)CC1CC1 ZINC000475785735 502291290 /nfs/dbraw/zinc/29/12/90/502291290.db2.gz ATTXRFXPBQIZDP-LBPRGKRZSA-N -1 3 361.891 3.222 20 0 FGADHM C[C@@H](CN1CCC[C@@H](C)C1)[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000462066729 502292909 /nfs/dbraw/zinc/29/29/09/502292909.db2.gz ISGXVZWOBBPZSU-MNOVXSKESA-N -1 3 370.462 3.166 20 0 FGADHM C[C@@H]1CCCN(S(=O)(=O)[N-]c2ccc(OC(F)F)c3cccnc23)C1 ZINC000479549808 502294235 /nfs/dbraw/zinc/29/42/35/502294235.db2.gz AIVGESHRINTYJE-LLVKDONJSA-N -1 3 371.409 3.225 20 0 FGADHM Cc1ccc2c(c1C)OC[C@@H]2[N-]S(=O)(=O)c1ccc2ncsc2c1 ZINC000475801331 502295672 /nfs/dbraw/zinc/29/56/72/502295672.db2.gz ZXEXPRQLENWKPJ-HNNXBMFYSA-N -1 3 360.460 3.325 20 0 FGADHM CCC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cc(C)cnc2N)c1 ZINC000475832357 502304632 /nfs/dbraw/zinc/30/46/32/502304632.db2.gz JMJCPNHCEHCNEQ-UHFFFAOYSA-N -1 3 353.831 3.019 20 0 FGADHM CC(C)OCCS(=O)(=O)[N-]c1cccc(CCC(=O)OC(C)(C)C)c1 ZINC000475836427 502305237 /nfs/dbraw/zinc/30/52/37/502305237.db2.gz SUXQWBGPUACYFO-UHFFFAOYSA-N -1 3 371.499 3.128 20 0 FGADHM Cc1cc(S(=O)(=O)[N-][C@H]2CCCC[C@H]2n2cccn2)c(Cl)cc1F ZINC000472307976 502308347 /nfs/dbraw/zinc/30/83/47/502308347.db2.gz BOVHNALZEISHKR-LSDHHAIUSA-N -1 3 371.865 3.446 20 0 FGADHM O=S(=O)([N-]CCC[C@H]1CCCC[C@H]1O)c1ccc(C(F)(F)F)s1 ZINC000462108494 502309596 /nfs/dbraw/zinc/30/95/96/502309596.db2.gz AYCQPKPHDPTZDG-GHMZBOCLSA-N -1 3 371.446 3.377 20 0 FGADHM COC1CCC(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)CC1 ZINC000462111702 502310370 /nfs/dbraw/zinc/31/03/70/502310370.db2.gz MKPBCINLKFHEDL-UHFFFAOYSA-N -1 3 357.419 3.250 20 0 FGADHM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]CCC(C)(C)C ZINC000469141498 502313076 /nfs/dbraw/zinc/31/30/76/502313076.db2.gz XFLJDEKBMULUCL-LBPRGKRZSA-N -1 3 363.907 3.468 20 0 FGADHM CC[C@@H](CSc1ccccc1)NC(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000483218056 502316022 /nfs/dbraw/zinc/31/60/22/502316022.db2.gz FQYUBDAAYZNTLA-JTQLQIEISA-N -1 3 373.404 3.194 20 0 FGADHM CC[C@@H](CSc1ccccc1)NC(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000483218056 502316026 /nfs/dbraw/zinc/31/60/26/502316026.db2.gz FQYUBDAAYZNTLA-JTQLQIEISA-N -1 3 373.404 3.194 20 0 FGADHM CC[C@@H](CSc1ccccc1)NC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000483218056 502316033 /nfs/dbraw/zinc/31/60/33/502316033.db2.gz FQYUBDAAYZNTLA-JTQLQIEISA-N -1 3 373.404 3.194 20 0 FGADHM O=C(Cc1ccc([O-])cc1Cl)N1CCc2c(ncn2-c2ccccc2)C1 ZINC000483223674 502318988 /nfs/dbraw/zinc/31/89/88/502318988.db2.gz SVXXPKVUMPCXGV-UHFFFAOYSA-N -1 3 367.836 3.359 20 0 FGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000472347118 502323788 /nfs/dbraw/zinc/32/37/88/502323788.db2.gz ZPHUIRNGMWRPTN-ZWNOBZJWSA-N -1 3 368.886 3.298 20 0 FGADHM O=C(CCc1cccc(C(F)(F)F)c1)N=c1cc(-c2cccnc2)[n-][nH]1 ZINC000469179329 502326997 /nfs/dbraw/zinc/32/69/97/502326997.db2.gz MILIMKDIFJITAO-UHFFFAOYSA-N -1 3 360.339 3.484 20 0 FGADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)Nc1ccc(OC(F)(F)F)cc1 ZINC000479695948 502347343 /nfs/dbraw/zinc/34/73/43/502347343.db2.gz UTRIPNWAFMCCQS-UHFFFAOYSA-N -1 3 369.225 3.044 20 0 FGADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)Nc1ccc(OC(F)(F)F)cc1 ZINC000479695948 502347344 /nfs/dbraw/zinc/34/73/44/502347344.db2.gz UTRIPNWAFMCCQS-UHFFFAOYSA-N -1 3 369.225 3.044 20 0 FGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)Nc1ccc(OC(F)(F)F)cc1 ZINC000479695948 502347345 /nfs/dbraw/zinc/34/73/45/502347345.db2.gz UTRIPNWAFMCCQS-UHFFFAOYSA-N -1 3 369.225 3.044 20 0 FGADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)Nc1ccc(C(F)(F)F)cc1 ZINC000479704833 502350773 /nfs/dbraw/zinc/35/07/73/502350773.db2.gz LXKBBVVGEUNTOP-UHFFFAOYSA-N -1 3 353.226 3.164 20 0 FGADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)Nc1ccc(C(F)(F)F)cc1 ZINC000479704833 502350777 /nfs/dbraw/zinc/35/07/77/502350777.db2.gz LXKBBVVGEUNTOP-UHFFFAOYSA-N -1 3 353.226 3.164 20 0 FGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)Nc1ccc(C(F)(F)F)cc1 ZINC000479704833 502350779 /nfs/dbraw/zinc/35/07/79/502350779.db2.gz LXKBBVVGEUNTOP-UHFFFAOYSA-N -1 3 353.226 3.164 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]C[C@@H]2SCCc3ccccc32)c(F)c1 ZINC000487099597 502359158 /nfs/dbraw/zinc/35/91/58/502359158.db2.gz MBLOAVMUGKQXFZ-INIZCTEOSA-N -1 3 351.468 3.443 20 0 FGADHM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]CC1CCCC1 ZINC000469290859 502363221 /nfs/dbraw/zinc/36/32/21/502363221.db2.gz QZAUSHHUFWTZAD-LBPRGKRZSA-N -1 3 361.891 3.222 20 0 FGADHM Cc1cc(C)c2[n-]cc(C(=O)N3CCC4(CCOCC4)[C@@H]3C)c(=O)c2c1 ZINC000483386907 502368554 /nfs/dbraw/zinc/36/85/54/502368554.db2.gz AYXOYLRLABEYHZ-HNNXBMFYSA-N -1 3 354.450 3.176 20 0 FGADHM O=C(CCCc1ccc([O-])c(F)c1)NCc1cccc(C(=O)NC2CC2)c1 ZINC000469322599 502375437 /nfs/dbraw/zinc/37/54/37/502375437.db2.gz DZJUBFWVQHJPPU-UHFFFAOYSA-N -1 3 370.424 3.063 20 0 FGADHM Cc1cccc2c(=O)c(C(=O)N[C@H]3CCO[C@H](c4ccccc4)C3)c[n-]c12 ZINC000483402474 502376318 /nfs/dbraw/zinc/37/63/18/502376318.db2.gz NATZPYLWJHUQPM-LPHOPBHVSA-N -1 3 362.429 3.487 20 0 FGADHM O=S(=O)([N-][C@H]1CCCOc2ccccc21)c1cc(F)c(F)c(F)c1 ZINC000462275227 502376821 /nfs/dbraw/zinc/37/68/21/502376821.db2.gz RWHQEQFCHALHBA-AWEZNQCLSA-N -1 3 357.353 3.296 20 0 FGADHM Cc1cccc(F)c1S(=O)(=O)[N-][C@@H]1CCOc2c(F)ccc(F)c21 ZINC000462289862 502380737 /nfs/dbraw/zinc/38/07/37/502380737.db2.gz BYESZWGXUUAKSS-CYBMUJFWSA-N -1 3 357.353 3.214 20 0 FGADHM CCc1ccc([C@H](COC)[N-]S(=O)(=O)c2ccc3c(c2)CCCC3)o1 ZINC000462321868 502391909 /nfs/dbraw/zinc/39/19/09/502391909.db2.gz OPEDISJDLDZPIN-SFHVURJKSA-N -1 3 363.479 3.387 20 0 FGADHM C[C@@H](c1cccnc1)N1CCN(C(=O)CCCc2ccc([O-])c(F)c2)CC1 ZINC000469381209 502394549 /nfs/dbraw/zinc/39/45/49/502394549.db2.gz KXKYSAPYAZNINP-INIZCTEOSA-N -1 3 371.456 3.154 20 0 FGADHM Cc1ccc(N2CCC(NC(=O)CCCc3ccc([O-])c(F)c3)CC2)nc1 ZINC000469390150 502396680 /nfs/dbraw/zinc/39/66/80/502396680.db2.gz DCKZGYGZIHKZJQ-UHFFFAOYSA-N -1 3 371.456 3.343 20 0 FGADHM COCC[C@H]([N-]S(=O)(=O)c1cc(F)c(C)cc1F)c1ccc(C)o1 ZINC000479893923 502411974 /nfs/dbraw/zinc/41/19/74/502411974.db2.gz RUJUXAOXMZJEGY-AWEZNQCLSA-N -1 3 359.394 3.231 20 0 FGADHM Cc1cc(C)cc(-c2cc(=NC(=O)Cc3csc4nccn34)[nH][n-]2)c1 ZINC000487336237 502421347 /nfs/dbraw/zinc/42/13/47/502421347.db2.gz LSWCYDKLXXHHPA-UHFFFAOYSA-N -1 3 351.435 3.006 20 0 FGADHM CN(C)c1cccc(S(=O)(=O)[N-]c2c(F)cccc2N2CCCC2)c1 ZINC000476232509 502422615 /nfs/dbraw/zinc/42/26/15/502422615.db2.gz OKDKXOPCDLKKFM-UHFFFAOYSA-N -1 3 363.458 3.293 20 0 FGADHM CCCN(CCc1cccs1)C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000483546047 502427974 /nfs/dbraw/zinc/42/79/74/502427974.db2.gz BODPFVTVBQMLEZ-UHFFFAOYSA-N -1 3 361.393 3.049 20 0 FGADHM CCCN(CCc1cccs1)C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000483546047 502427975 /nfs/dbraw/zinc/42/79/75/502427975.db2.gz BODPFVTVBQMLEZ-UHFFFAOYSA-N -1 3 361.393 3.049 20 0 FGADHM CCCN(CCc1cccs1)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000483546047 502427978 /nfs/dbraw/zinc/42/79/78/502427978.db2.gz BODPFVTVBQMLEZ-UHFFFAOYSA-N -1 3 361.393 3.049 20 0 FGADHM C[C@@]1(c2ccccc2)CCCN(C(=O)NCc2nnc(C(F)(F)F)[n-]2)C1 ZINC000483555021 502430147 /nfs/dbraw/zinc/43/01/47/502430147.db2.gz DCWJTNWEBXHFIM-MRXNPFEDSA-N -1 3 367.375 3.087 20 0 FGADHM C[C@@]1(c2ccccc2)CCCN(C(=O)NCc2n[n-]c(C(F)(F)F)n2)C1 ZINC000483555021 502430149 /nfs/dbraw/zinc/43/01/49/502430149.db2.gz DCWJTNWEBXHFIM-MRXNPFEDSA-N -1 3 367.375 3.087 20 0 FGADHM C[C@@]1(c2ccccc2)CCCN(C(=O)NCc2nc(C(F)(F)F)n[n-]2)C1 ZINC000483555021 502430154 /nfs/dbraw/zinc/43/01/54/502430154.db2.gz DCWJTNWEBXHFIM-MRXNPFEDSA-N -1 3 367.375 3.087 20 0 FGADHM Cc1cc(C)c(NC(=O)Cc2c(C)nc(C)[n-]c2=O)cc1Br ZINC000487387336 502430526 /nfs/dbraw/zinc/43/05/26/502430526.db2.gz DOIXKSDCPJZKCX-UHFFFAOYSA-N -1 3 364.243 3.360 20 0 FGADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)N1CCCC[C@H]1c1ccc(F)cc1 ZINC000483562370 502431426 /nfs/dbraw/zinc/43/14/26/502431426.db2.gz PBQBRSGLZDNVNQ-LBPRGKRZSA-N -1 3 371.338 3.399 20 0 FGADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)N1CCCC[C@H]1c1ccc(F)cc1 ZINC000483562370 502431433 /nfs/dbraw/zinc/43/14/33/502431433.db2.gz PBQBRSGLZDNVNQ-LBPRGKRZSA-N -1 3 371.338 3.399 20 0 FGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N1CCCC[C@H]1c1ccc(F)cc1 ZINC000483562370 502431436 /nfs/dbraw/zinc/43/14/36/502431436.db2.gz PBQBRSGLZDNVNQ-LBPRGKRZSA-N -1 3 371.338 3.399 20 0 FGADHM CC(C)CN(Cc1ccccc1F)C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000483560551 502432037 /nfs/dbraw/zinc/43/20/37/502432037.db2.gz OSAIOMAZOSZICO-UHFFFAOYSA-N -1 3 373.354 3.330 20 0 FGADHM CC(C)CN(Cc1ccccc1F)C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000483560551 502432042 /nfs/dbraw/zinc/43/20/42/502432042.db2.gz OSAIOMAZOSZICO-UHFFFAOYSA-N -1 3 373.354 3.330 20 0 FGADHM CC(C)CN(Cc1ccccc1F)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000483560551 502432048 /nfs/dbraw/zinc/43/20/48/502432048.db2.gz OSAIOMAZOSZICO-UHFFFAOYSA-N -1 3 373.354 3.330 20 0 FGADHM COCC[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)c1ccc(C)o1 ZINC000480046693 502456575 /nfs/dbraw/zinc/45/65/75/502456575.db2.gz OJSIQYRTEBIOOG-LBPRGKRZSA-N -1 3 361.822 3.437 20 0 FGADHM O=S(=O)([N-][C@H]1C[C@@H]1C1CCCCC1)c1cncc(Br)c1 ZINC000462492072 502462782 /nfs/dbraw/zinc/46/27/82/502462782.db2.gz FUIBTYPWAQJSDU-KGLIPLIRSA-N -1 3 359.289 3.091 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]CCOCCC(C)C)c(Cl)c1Cl ZINC000462517281 502473065 /nfs/dbraw/zinc/47/30/65/502473065.db2.gz OYEWOLYXRCGWCJ-UHFFFAOYSA-N -1 3 370.298 3.343 20 0 FGADHM CC1CCC(OCC(=O)Nc2nnc(-c3c(F)cccc3F)[n-]2)CC1 ZINC000480107540 502474631 /nfs/dbraw/zinc/47/46/31/502474631.db2.gz CZXKDMFYILXXBC-UHFFFAOYSA-N -1 3 350.369 3.284 20 0 FGADHM CC1CCC(OCC(=O)Nc2nc(-c3c(F)cccc3F)n[n-]2)CC1 ZINC000480107540 502474636 /nfs/dbraw/zinc/47/46/36/502474636.db2.gz CZXKDMFYILXXBC-UHFFFAOYSA-N -1 3 350.369 3.284 20 0 FGADHM CC1CCC(OCC(=O)Nc2n[n-]c(-c3c(F)cccc3F)n2)CC1 ZINC000480107540 502474642 /nfs/dbraw/zinc/47/46/42/502474642.db2.gz CZXKDMFYILXXBC-UHFFFAOYSA-N -1 3 350.369 3.284 20 0 FGADHM CCOc1nc2cc(C(=O)N3CCO[C@@H](c4cccc(F)c4)C3)ccc2[n-]1 ZINC000469657213 502493729 /nfs/dbraw/zinc/49/37/29/502493729.db2.gz YVCGRGQERLVWMU-GOSISDBHSA-N -1 3 369.396 3.314 20 0 FGADHM CCOc1nc2ccc(C(=O)N3CCO[C@@H](c4cccc(F)c4)C3)cc2[n-]1 ZINC000469657213 502493737 /nfs/dbraw/zinc/49/37/37/502493737.db2.gz YVCGRGQERLVWMU-GOSISDBHSA-N -1 3 369.396 3.314 20 0 FGADHM CCOc1nc2ccc(C(=O)Nc3cccc(C[S@@](C)=O)c3)cc2[n-]1 ZINC000469661328 502494683 /nfs/dbraw/zinc/49/46/83/502494683.db2.gz MTJYTVKLYWUNTF-RUZDIDTESA-N -1 3 357.435 3.092 20 0 FGADHM CCOc1nc2cc(C(=O)Nc3cccc(C[S@@](C)=O)c3)ccc2[n-]1 ZINC000469661328 502494689 /nfs/dbraw/zinc/49/46/89/502494689.db2.gz MTJYTVKLYWUNTF-RUZDIDTESA-N -1 3 357.435 3.092 20 0 FGADHM CC[C@@H]1CCCC[C@@H]1C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1[O-] ZINC000476473863 502498773 /nfs/dbraw/zinc/49/87/73/502498773.db2.gz VMIAHDOGXPNUHG-HIFRSBDPSA-N -1 3 366.483 3.087 20 0 FGADHM CCOC(=O)[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)[C@@H](C)CC ZINC000462595526 502500186 /nfs/dbraw/zinc/50/01/86/502500186.db2.gz UFHSYCHGCOXLNC-TVQRCGJNSA-N -1 3 368.282 3.250 20 0 FGADHM O=C([N-]c1nc2c(ccc(F)c2F)s1)c1cc(CN2CCCC2)on1 ZINC000462603698 502503390 /nfs/dbraw/zinc/50/33/90/502503390.db2.gz QWKMVZFBHBOJSA-UHFFFAOYSA-N -1 3 364.377 3.411 20 0 FGADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H]1COc2c1ccc(Cl)c2Cl ZINC000462610968 502507449 /nfs/dbraw/zinc/50/74/49/502507449.db2.gz GJEGHXUDYCDOPM-SNVBAGLBSA-N -1 3 363.222 3.010 20 0 FGADHM CCc1cnc(C[N-]S(=O)(=O)c2ccc(C(=O)C(C)C)cc2)s1 ZINC000462618904 502510637 /nfs/dbraw/zinc/51/06/37/502510637.db2.gz PLNGAUUYPDEFLA-UHFFFAOYSA-N -1 3 352.481 3.023 20 0 FGADHM CCOc1nc2cc(C(=O)N3CCO[C@@H](c4cccs4)C3)ccc2[n-]1 ZINC000469742377 502529318 /nfs/dbraw/zinc/52/93/18/502529318.db2.gz RUFWVQUPKCPYQP-OAHLLOKOSA-N -1 3 357.435 3.237 20 0 FGADHM CCOc1nc2ccc(C(=O)N3CCO[C@@H](c4cccs4)C3)cc2[n-]1 ZINC000469742377 502529320 /nfs/dbraw/zinc/52/93/20/502529320.db2.gz RUFWVQUPKCPYQP-OAHLLOKOSA-N -1 3 357.435 3.237 20 0 FGADHM CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(F)ccc2Cl)C12CCCC2 ZINC000462684976 502533564 /nfs/dbraw/zinc/53/35/64/502533564.db2.gz VVKLSUIRSYMEMY-CABCVRRESA-N -1 3 361.866 3.495 20 0 FGADHM C[C@@H](C[N-]S(=O)(=O)c1ccccc1C(=O)c1ccccc1)C(F)(F)F ZINC000476587413 502535083 /nfs/dbraw/zinc/53/50/83/502535083.db2.gz IKEPJCSNJYOQOD-LBPRGKRZSA-N -1 3 371.380 3.394 20 0 FGADHM COc1cc(F)c(S(=O)(=O)[N-][C@H](C)CCc2ccc(C)o2)cc1OC ZINC000462710933 502544105 /nfs/dbraw/zinc/54/41/05/502544105.db2.gz ZQCULKNBOXNSRD-LLVKDONJSA-N -1 3 371.430 3.044 20 0 FGADHM CO[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1sc(C)cc1Br ZINC000462718385 502548176 /nfs/dbraw/zinc/54/81/76/502548176.db2.gz CNIBGIAUVVPHTJ-GHMZBOCLSA-N -1 3 368.318 3.055 20 0 FGADHM C[C@@H](O)C[C@@H](C[N-]S(=O)(=O)c1cc(F)ccc1Cl)c1ccccc1 ZINC000469804120 502550861 /nfs/dbraw/zinc/55/08/61/502550861.db2.gz JVEWHBUIUKSIAR-OCCSQVGLSA-N -1 3 371.861 3.312 20 0 FGADHM O=C(C[C@@H](c1cccs1)n1cccc1)Nc1nnc(-c2ccccn2)[n-]1 ZINC000473324443 502566761 /nfs/dbraw/zinc/56/67/61/502566761.db2.gz IVTYKIATDLTDHS-AWEZNQCLSA-N -1 3 364.434 3.348 20 0 FGADHM O=C(C[C@@H](c1cccs1)n1cccc1)Nc1nc(-c2ccccn2)n[n-]1 ZINC000473324443 502566763 /nfs/dbraw/zinc/56/67/63/502566763.db2.gz IVTYKIATDLTDHS-AWEZNQCLSA-N -1 3 364.434 3.348 20 0 FGADHM O=C(C[C@@H](c1cccs1)n1cccc1)Nc1n[n-]c(-c2ccccn2)n1 ZINC000473324443 502566768 /nfs/dbraw/zinc/56/67/68/502566768.db2.gz IVTYKIATDLTDHS-AWEZNQCLSA-N -1 3 364.434 3.348 20 0 FGADHM CCCOc1cccc(NC(=O)NCCCNC(=O)c2cccc([O-])c2)c1 ZINC000480483892 502580356 /nfs/dbraw/zinc/58/03/56/502580356.db2.gz YTQAFSXZXQQBDV-UHFFFAOYSA-N -1 3 371.437 3.123 20 0 FGADHM CC(C)[C@@H]1C[C@H]1C(=O)Nc1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1F ZINC000476783309 502585086 /nfs/dbraw/zinc/58/50/86/502585086.db2.gz YEZJATVDAWISJZ-WDEREUQCSA-N -1 3 374.865 3.150 20 0 FGADHM Cc1cc(C(=O)N[C@H](c2cccc(Cl)c2)c2ccccn2)[n-]c(=O)n1 ZINC000473407307 502586413 /nfs/dbraw/zinc/58/64/13/502586413.db2.gz JXKNWFUEJCSGCD-MRXNPFEDSA-N -1 3 354.797 3.058 20 0 FGADHM Cc1nc(CC(C)C)c(NC(=O)c2ccc([N-]S(C)(=O)=O)cc2)s1 ZINC000473409556 502587660 /nfs/dbraw/zinc/58/76/60/502587660.db2.gz RRACRYFHTVLKCL-UHFFFAOYSA-N -1 3 367.496 3.274 20 0 FGADHM CN(C)CCOc1ccc(CCN=c2nc(-c3ccccc3)[n-]s2)cc1 ZINC000462828893 502590555 /nfs/dbraw/zinc/59/05/55/502590555.db2.gz SFCLSKYOFQRRLT-UHFFFAOYSA-N -1 3 368.506 3.222 20 0 FGADHM C[C@@]1(C[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)CCO[C@H]1C1CC1 ZINC000466567932 502610153 /nfs/dbraw/zinc/61/01/53/502610153.db2.gz RNLMLGRBVCEBRH-GJZGRUSLSA-N -1 3 364.294 3.477 20 0 FGADHM CCc1ncc(S(=O)(=O)[N-][C@H](c2ccc(C)cc2)c2ccccn2)s1 ZINC000480629353 502627022 /nfs/dbraw/zinc/62/70/22/502627022.db2.gz DQUXEPMRGYBMPE-GOSISDBHSA-N -1 3 373.503 3.477 20 0 FGADHM COCCC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccccc1F ZINC000480630877 502628398 /nfs/dbraw/zinc/62/83/98/502628398.db2.gz NXWHIGVFTHMTKJ-MRXNPFEDSA-N -1 3 351.443 3.142 20 0 FGADHM Cc1cccc(OC(F)F)c1NC(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000480636132 502629762 /nfs/dbraw/zinc/62/97/62/502629762.db2.gz CKSZQHKCRKIWJX-UHFFFAOYSA-N -1 3 365.262 3.055 20 0 FGADHM Cc1cccc(OC(F)F)c1NC(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000480636132 502629764 /nfs/dbraw/zinc/62/97/64/502629764.db2.gz CKSZQHKCRKIWJX-UHFFFAOYSA-N -1 3 365.262 3.055 20 0 FGADHM Cc1cccc(OC(F)F)c1NC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000480636132 502629768 /nfs/dbraw/zinc/62/97/68/502629768.db2.gz CKSZQHKCRKIWJX-UHFFFAOYSA-N -1 3 365.262 3.055 20 0 FGADHM CC[C@@H](COC)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000484378913 502635460 /nfs/dbraw/zinc/63/54/60/502635460.db2.gz NPLSTBSDVOUFEO-INIZCTEOSA-N -1 3 366.458 3.141 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)[C@H](OC(C)C)c3ccccc3)[n-]c21 ZINC000484412724 502640531 /nfs/dbraw/zinc/64/05/31/502640531.db2.gz ANYDNEHSMGWDPC-QGZVFWFLSA-N -1 3 367.405 3.454 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@H](OC(C)C)c3ccccc3)nc21 ZINC000484412724 502640536 /nfs/dbraw/zinc/64/05/36/502640536.db2.gz ANYDNEHSMGWDPC-QGZVFWFLSA-N -1 3 367.405 3.454 20 0 FGADHM CCOC(=O)c1c(C)c2ccccc2nc1CN1CCC[C@H](C)[C@H]1C(=O)[O-] ZINC000592992164 506325987 /nfs/dbraw/zinc/32/59/87/506325987.db2.gz ZWJAQGRESVZBPW-DJJJIMSYSA-N -1 3 370.449 3.405 20 0 FGADHM O=S(=O)([N-][C@@H]1CCSC1)c1cc(Cl)ccc1OCCC1CC1 ZINC000480720404 502653271 /nfs/dbraw/zinc/65/32/71/502653271.db2.gz JQCRJIWHRJPXBR-CYBMUJFWSA-N -1 3 361.916 3.303 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]CC2(c3ccc(F)cc3F)CC2)c(F)c1 ZINC000480734558 502656574 /nfs/dbraw/zinc/65/65/74/502656574.db2.gz QTENCGTYJBKRPI-UHFFFAOYSA-N -1 3 371.380 3.123 20 0 FGADHM CC(C)(C)CC(=O)Nc1ccc(CC(=O)NCc2ncccc2[O-])cc1 ZINC000473634796 502661673 /nfs/dbraw/zinc/66/16/73/502661673.db2.gz ZCHRYAHLZCDGJR-UHFFFAOYSA-N -1 3 355.438 3.021 20 0 FGADHM O=C(CSCc1ccc(Br)cc1)NCc1ncccc1[O-] ZINC000473637709 502662827 /nfs/dbraw/zinc/66/28/27/502662827.db2.gz KSPCSELATZNYOS-UHFFFAOYSA-N -1 3 367.268 3.099 20 0 FGADHM CCn1ncc2c1nc(-c1ccccc1)cc2C(=O)NCc1ncccc1[O-] ZINC000473636387 502662969 /nfs/dbraw/zinc/66/29/69/502662969.db2.gz FFSPTELQTQYLEZ-UHFFFAOYSA-N -1 3 373.416 3.149 20 0 FGADHM CC(C)c1c(NC(=O)NCc2ncccc2[O-])cnn1-c1ccccc1 ZINC000470118935 502667217 /nfs/dbraw/zinc/66/72/17/502667217.db2.gz DCAKVKBVFPCZKI-UHFFFAOYSA-N -1 3 351.410 3.418 20 0 FGADHM Cc1cccc(F)c1S(=O)(=O)[N-]C[C@](C)(Cc1ccccc1)[C@H](C)O ZINC000480778430 502668860 /nfs/dbraw/zinc/66/88/60/502668860.db2.gz XNOMAAHITZAJQX-KXBFYZLASA-N -1 3 365.470 3.042 20 0 FGADHM CC(C)N1CCC[C@@H]([N-]S(=O)(=O)c2cccc(Cl)c2Cl)C1 ZINC000477118262 502682908 /nfs/dbraw/zinc/68/29/08/502682908.db2.gz JVLSOUJANQTINW-LLVKDONJSA-N -1 3 351.299 3.145 20 0 FGADHM O=S(=O)([N-]Cc1ccc(F)cn1)c1ccc(Cl)cc1C(F)(F)F ZINC000477141600 502689095 /nfs/dbraw/zinc/68/90/95/502689095.db2.gz LEAOBCNRDZAVQE-UHFFFAOYSA-N -1 3 368.739 3.371 20 0 FGADHM CC(C)(C)N=c1[n-]nc(Cn2ccc3ccccc32)n1C[C@@H]1CCCO1 ZINC000463099268 502694318 /nfs/dbraw/zinc/69/43/18/502694318.db2.gz PWIOBHSADRFMJF-INIZCTEOSA-N -1 3 353.470 3.092 20 0 FGADHM O=C(CCc1cccc(C(F)(F)F)c1)Nc1nnc(C(F)(F)F)[n-]1 ZINC000466820101 502694828 /nfs/dbraw/zinc/69/48/28/502694828.db2.gz XBOSGLVLZRPHJQ-UHFFFAOYSA-N -1 3 352.238 3.414 20 0 FGADHM O=C(CCc1cccc(C(F)(F)F)c1)Nc1nc(C(F)(F)F)n[n-]1 ZINC000466820101 502694830 /nfs/dbraw/zinc/69/48/30/502694830.db2.gz XBOSGLVLZRPHJQ-UHFFFAOYSA-N -1 3 352.238 3.414 20 0 FGADHM COC(=O)c1cccc(C(=O)[N-]c2nnc(-c3ccc(Cl)cc3)s2)n1 ZINC000484704039 502715006 /nfs/dbraw/zinc/71/50/06/502715006.db2.gz NFRPPWWVQDCION-UHFFFAOYSA-N -1 3 374.809 3.292 20 0 FGADHM O=S(=O)([N-]CC(F)F)c1ccc(Br)c(C(F)(F)F)c1 ZINC000466891277 502716770 /nfs/dbraw/zinc/71/67/70/502716770.db2.gz PRJXORHPHRZAKZ-UHFFFAOYSA-N -1 3 368.121 3.011 20 0 FGADHM O=S(=O)([N-]Cc1c(F)cccc1OC(F)F)c1cc(F)cc(F)c1 ZINC000480984744 502720892 /nfs/dbraw/zinc/72/08/92/502720892.db2.gz RZKXHEQRJKQLBQ-UHFFFAOYSA-N -1 3 367.295 3.184 20 0 FGADHM Cc1ccc(C)c(OCCCCC(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)c1 ZINC000473842652 502721125 /nfs/dbraw/zinc/72/11/25/502721125.db2.gz KRYVIOWMLIHGAU-QGZVFWFLSA-N -1 3 357.454 3.488 20 0 FGADHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1csc(-c2ccc(F)cc2)n1 ZINC000473850087 502723780 /nfs/dbraw/zinc/72/37/80/502723780.db2.gz MRMWXGZELYFHMB-AWEZNQCLSA-N -1 3 358.398 3.198 20 0 FGADHM CC1(C)[C@H](O)CCN1Cc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000463224875 502725711 /nfs/dbraw/zinc/72/57/11/502725711.db2.gz WFZXZMOPEVLVGH-CQSZACIVSA-N -1 3 355.463 3.409 20 0 FGADHM O=C(CCc1ccc(Br)cc1)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000473854529 502725983 /nfs/dbraw/zinc/72/59/83/502725983.db2.gz GXQFHZBXXRUEAQ-CQSZACIVSA-N -1 3 364.243 3.017 20 0 FGADHM O=C(CCCc1nc2ccccc2s1)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000473859719 502729072 /nfs/dbraw/zinc/72/90/72/502729072.db2.gz VJJFIAVKXFUAID-CQSZACIVSA-N -1 3 356.451 3.254 20 0 FGADHM Cc1ccc(-c2nc(C[N-]S(=O)(=O)c3ccc(F)cc3F)co2)cc1 ZINC000466935226 502733526 /nfs/dbraw/zinc/73/35/26/502733526.db2.gz SZUHLKDQPCAPKN-UHFFFAOYSA-N -1 3 364.373 3.407 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]Cc2ccc(Br)cc2)c(F)c1 ZINC000481044368 502739043 /nfs/dbraw/zinc/73/90/43/502739043.db2.gz VSMMFRUCQNEEJF-UHFFFAOYSA-N -1 3 374.231 3.075 20 0 FGADHM CCn1c(=O)oc2cc(S(=O)(=O)[N-]c3ccc(F)cc3Cl)ccc21 ZINC000466967516 502740647 /nfs/dbraw/zinc/74/06/47/502740647.db2.gz ZUQHMJKQXMOAAE-UHFFFAOYSA-N -1 3 370.789 3.208 20 0 FGADHM CC[C@](C)([N-]S(=O)(=O)c1ccc(OC)cc1F)c1nc(C)cs1 ZINC000481051143 502740873 /nfs/dbraw/zinc/74/08/73/502740873.db2.gz BDNXIISWRFVZFJ-HNNXBMFYSA-N -1 3 358.460 3.203 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]C[C@@H](c2ccccc2)N(C)C)sc1Cl ZINC000473900506 502742744 /nfs/dbraw/zinc/74/27/44/502742744.db2.gz IHOBDJKXSBBZKL-ZDUSSCGKSA-N -1 3 358.916 3.291 20 0 FGADHM Cc1ccccc1[C@H](NC(=O)c1ccc([N-]S(C)(=O)=O)cc1)C(C)C ZINC000484801000 502742823 /nfs/dbraw/zinc/74/28/23/502742823.db2.gz WKCMSJJHVKZIDI-GOSISDBHSA-N -1 3 360.479 3.494 20 0 FGADHM CC(C)=CCOc1cccc(C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)c1 ZINC000473928443 502752292 /nfs/dbraw/zinc/75/22/92/502752292.db2.gz OOZSUPLKJGLKPS-UHFFFAOYSA-N -1 3 363.421 3.388 20 0 FGADHM CC(C)=CCOc1cccc(C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)c1 ZINC000473928443 502752296 /nfs/dbraw/zinc/75/22/96/502752296.db2.gz OOZSUPLKJGLKPS-UHFFFAOYSA-N -1 3 363.421 3.388 20 0 FGADHM O=C(Cc1ccc(Br)cc1[O-])NCCOCc1ccccc1 ZINC000477378446 502759562 /nfs/dbraw/zinc/75/95/62/502759562.db2.gz WGVVNXJNDBDSML-UHFFFAOYSA-N -1 3 364.239 3.030 20 0 FGADHM CCc1nc(C)c(C(=O)NCc2ccc([O-])c(Br)c2)s1 ZINC000488663420 502777054 /nfs/dbraw/zinc/77/70/54/502777054.db2.gz XAKGEFBEPLFZKB-UHFFFAOYSA-N -1 3 355.257 3.412 20 0 FGADHM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2)ccc1C ZINC000467074480 502780412 /nfs/dbraw/zinc/78/04/12/502780412.db2.gz LAZRWJKSJGLQJB-UHFFFAOYSA-N -1 3 371.361 3.184 20 0 FGADHM CCCC1(CNC(=O)Nc2ccc([N-]S(=O)(=O)CC)c(OC)c2)CC1 ZINC000470459482 502784163 /nfs/dbraw/zinc/78/41/63/502784163.db2.gz SDSBWEHQWAOBKW-UHFFFAOYSA-N -1 3 369.487 3.159 20 0 FGADHM O=S(=O)([N-][C@@H]1CC[C@H](c2cccc(F)c2)C1)c1cncc(Cl)c1 ZINC000481248608 502796536 /nfs/dbraw/zinc/79/65/36/502796536.db2.gz CWGCDVLADBDJPD-SWLSCSKDSA-N -1 3 354.834 3.489 20 0 FGADHM C[C@@H]1[C@@H](CO)CCN1Cc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000488736969 502797599 /nfs/dbraw/zinc/79/75/99/502797599.db2.gz WBFZDXGHRFPJNV-TZMCWYRMSA-N -1 3 355.463 3.267 20 0 FGADHM Cc1cc(C(=O)Nc2nnc(-c3cc4ccccc4o3)[n-]2)c2cnn(C)c2n1 ZINC000485112837 502816365 /nfs/dbraw/zinc/81/63/65/502816365.db2.gz HGHDITUCTMKCRD-UHFFFAOYSA-N -1 3 373.376 3.060 20 0 FGADHM Cc1cc(C(=O)Nc2nc(-c3cc4ccccc4o3)n[n-]2)c2cnn(C)c2n1 ZINC000485112837 502816367 /nfs/dbraw/zinc/81/63/67/502816367.db2.gz HGHDITUCTMKCRD-UHFFFAOYSA-N -1 3 373.376 3.060 20 0 FGADHM Cc1cc(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)c2cnn(C)c2n1 ZINC000485112837 502816368 /nfs/dbraw/zinc/81/63/68/502816368.db2.gz HGHDITUCTMKCRD-UHFFFAOYSA-N -1 3 373.376 3.060 20 0 FGADHM CSC[C@H](C)C(=O)N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1 ZINC000500573186 502817542 /nfs/dbraw/zinc/81/75/42/502817542.db2.gz KSXZAAJOJKBURX-QMMMGPOBSA-N -1 3 372.263 3.338 20 0 FGADHM CC1(C)CN(C(=O)Cc2ccc(Br)cc2[O-])CC(C)(C)O1 ZINC000504926488 502824673 /nfs/dbraw/zinc/82/46/73/502824673.db2.gz IPVUKDRMLLIXNP-UHFFFAOYSA-N -1 3 356.260 3.113 20 0 FGADHM COC(=O)C1([N-]S(=O)(=O)c2cc(F)ccc2Cl)CCCCCC1 ZINC000488851418 502824843 /nfs/dbraw/zinc/82/48/43/502824843.db2.gz AREJPBLPBAGODU-UHFFFAOYSA-N -1 3 363.838 3.023 20 0 FGADHM CCCCOCCC[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000500626636 502829451 /nfs/dbraw/zinc/82/94/51/502829451.db2.gz TZWOXZJSEHKHKC-UHFFFAOYSA-N -1 3 368.268 3.073 20 0 FGADHM Cc1ccc([C@@H](C)[C@H](O)C(=O)N=c2cc(-c3cc(F)cc(F)c3)[n-][nH]2)cc1 ZINC000495383834 502832571 /nfs/dbraw/zinc/83/25/71/502832571.db2.gz LZXHVTSPDZIZDQ-BLVKFPJESA-N -1 3 371.387 3.188 20 0 FGADHM CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000509150238 502833717 /nfs/dbraw/zinc/83/37/17/502833717.db2.gz GLLSKCSUJHCGLO-UHFFFAOYSA-N -1 3 374.391 3.099 20 0 FGADHM O=C(Cc1ccc([O-])cc1Cl)Nc1ccc(N2CCCC2=O)c(F)c1 ZINC000509158506 502836335 /nfs/dbraw/zinc/83/63/35/502836335.db2.gz ZIRLLJKSWOMGEC-UHFFFAOYSA-N -1 3 362.788 3.493 20 0 FGADHM COc1cc(C(=O)N[C@H](CN(C)C)c2ccc(F)cc2)cc(Cl)c1[O-] ZINC000488914840 502837490 /nfs/dbraw/zinc/83/74/90/502837490.db2.gz RFSVTQRKPZAEIR-OAHLLOKOSA-N -1 3 366.820 3.226 20 0 FGADHM COc1cc(C(=O)N[C@@H](CN(C)C)c2ccc(F)cc2)cc(Cl)c1[O-] ZINC000488914837 502837796 /nfs/dbraw/zinc/83/77/96/502837796.db2.gz RFSVTQRKPZAEIR-HNNXBMFYSA-N -1 3 366.820 3.226 20 0 FGADHM Cc1cc(C(=O)N(C)Cc2cc3c(cc2OC(F)F)OCO3)ccc1[O-] ZINC000500674220 502837961 /nfs/dbraw/zinc/83/79/61/502837961.db2.gz GNTXDDXPOOSMDW-UHFFFAOYSA-N -1 3 365.332 3.303 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-][C@@]2(C(F)(F)F)CCc3ccccc32)cn1 ZINC000509225778 502854379 /nfs/dbraw/zinc/85/43/79/502854379.db2.gz SUZJJRWCRUBDOC-HNNXBMFYSA-N -1 3 356.369 3.072 20 0 FGADHM O=C(c1cc(F)cc2[n-]nnc21)N1CCn2c(cc3c2cccc3Cl)C1 ZINC000505127863 502855377 /nfs/dbraw/zinc/85/53/77/502855377.db2.gz DTVKTIYABULNOG-UHFFFAOYSA-N -1 3 369.787 3.361 20 0 FGADHM O=C(c1cc(F)cc2nn[n-]c21)N1CCn2c(cc3c2cccc3Cl)C1 ZINC000505127863 502855381 /nfs/dbraw/zinc/85/53/81/502855381.db2.gz DTVKTIYABULNOG-UHFFFAOYSA-N -1 3 369.787 3.361 20 0 FGADHM O=C(c1cc(F)cc2n[n-]nc21)N1CCn2c(cc3c2cccc3Cl)C1 ZINC000505127863 502855385 /nfs/dbraw/zinc/85/53/85/502855385.db2.gz DTVKTIYABULNOG-UHFFFAOYSA-N -1 3 369.787 3.361 20 0 FGADHM CCCc1nc(C(=O)[N-]c2nc(C(C)(C)C)c(C(=O)OC)s2)co1 ZINC000509360628 502883840 /nfs/dbraw/zinc/88/38/40/502883840.db2.gz MFWTWMNEFJVXDB-UHFFFAOYSA-N -1 3 351.428 3.420 20 0 FGADHM O=C(NCc1ncccc1[O-])Nc1ncc(Cc2ccccc2F)s1 ZINC000496353808 502885936 /nfs/dbraw/zinc/88/59/36/502885936.db2.gz AIWBDYNVSUJZHP-UHFFFAOYSA-N -1 3 358.398 3.295 20 0 FGADHM C[C@H]1CN(c2cccc(F)c2)CCN1C(=O)NCc1ccc([O-])c(F)c1 ZINC000489157117 502889692 /nfs/dbraw/zinc/88/96/92/502889692.db2.gz DGKNKTBNAKVEEC-ZDUSSCGKSA-N -1 3 361.392 3.091 20 0 FGADHM Cc1ccc(O[C@@H](C)C[N-]S(=O)(=O)Cc2c(F)cccc2F)cc1 ZINC000500920491 502891960 /nfs/dbraw/zinc/89/19/60/502891960.db2.gz DZLLXUWYSFJGQQ-ZDUSSCGKSA-N -1 3 355.406 3.160 20 0 FGADHM O=C(Nc1n[n-]c(-c2ccccc2F)n1)[C@H](c1ccccc1)n1cccn1 ZINC000500923401 502893072 /nfs/dbraw/zinc/89/30/72/502893072.db2.gz IXOXOOAHEBARCI-INIZCTEOSA-N -1 3 362.368 3.035 20 0 FGADHM COc1ccc(-c2nc([N-]C(=O)c3sccc3Cl)n[nH]2)c(OC)c1 ZINC000509491293 502917569 /nfs/dbraw/zinc/91/75/69/502917569.db2.gz GCDKOEXJQZYYBS-UHFFFAOYSA-N -1 3 364.814 3.456 20 0 FGADHM COc1ccc([C@H](CNCc2c(F)ccc([O-])c2F)N(C)C)cc1OC ZINC000509653146 502957610 /nfs/dbraw/zinc/95/76/10/502957610.db2.gz PVMTWPYAHIFZGS-HNNXBMFYSA-N -1 3 366.408 3.080 20 0 FGADHM O=C(N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1)[C@H]1C[C@@H]1C(F)F ZINC000513571082 502968485 /nfs/dbraw/zinc/96/84/85/502968485.db2.gz FOFGRKUSQBBMLK-UWVGGRQHSA-N -1 3 374.160 3.240 20 0 FGADHM Cc1noc(C)c1S(=O)(=O)[N-][C@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000509731867 502976768 /nfs/dbraw/zinc/97/67/68/502976768.db2.gz WWSRHEREFFTWON-AAEUAGOBSA-N -1 3 360.357 3.145 20 0 FGADHM O=C(N=c1cc(-c2ccccc2)[n-][nH]1)c1cccc(OC[C@@H]2CCCO2)c1 ZINC000497567390 502989802 /nfs/dbraw/zinc/98/98/02/502989802.db2.gz IFNOBDPLOYYERW-SFHVURJKSA-N -1 3 363.417 3.309 20 0 FGADHM COC(=O)c1cc(C(=O)Nc2cc(Br)c(C)cc2C)c[n-]1 ZINC000501368993 502993778 /nfs/dbraw/zinc/99/37/78/502993778.db2.gz VTOAKYONUVPMOS-UHFFFAOYSA-N -1 3 351.200 3.433 20 0 FGADHM COc1cc(C(=O)N[C@H]2CCCN(c3ccccc3Cl)C2)ccc1[O-] ZINC000509867774 503001524 /nfs/dbraw/zinc/00/15/24/503001524.db2.gz XZZZLOXZQIBDMP-AWEZNQCLSA-N -1 3 360.841 3.453 20 0 FGADHM CC1CN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3Cl)cc2)C1 ZINC000513691956 503002182 /nfs/dbraw/zinc/00/21/82/503002182.db2.gz IFVHUIHOXNJWCZ-UHFFFAOYSA-N -1 3 364.854 3.233 20 0 FGADHM C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)Cc1ccc(Br)cc1[O-] ZINC000509881279 503004080 /nfs/dbraw/zinc/00/40/80/503004080.db2.gz YCGBVZFPWABFNX-LDYMZIIASA-N -1 3 366.177 3.497 20 0 FGADHM COCCC(C)(C)C[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000489651849 503005239 /nfs/dbraw/zinc/00/52/39/503005239.db2.gz VPUXWMVENUCEGQ-UHFFFAOYSA-N -1 3 373.368 3.065 20 0 FGADHM 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/nfs/dbraw/zinc/13/33/00/505133300.db2.gz BXUUXZJXOUQXAI-GFCCVEGCSA-N -1 3 360.332 3.205 20 0 FGADHM CCCCCc1nnc([N-]S(=O)(=O)c2ccc(CN(C)C)cc2)s1 ZINC000551020526 505143864 /nfs/dbraw/zinc/14/38/64/505143864.db2.gz NPAMXCYSRYEWAU-UHFFFAOYSA-N -1 3 368.528 3.133 20 0 FGADHM COc1ccc([N-]S(=O)(=O)c2ccc(CN(C)C)cc2)c2cccnc12 ZINC000551020864 505144148 /nfs/dbraw/zinc/14/41/48/505144148.db2.gz SAOFRQTZKNIBQX-UHFFFAOYSA-N -1 3 371.462 3.106 20 0 FGADHM Cn1ncc(CN(CCCC(=O)[O-])Cc2ccccc2)c1C(F)(F)F ZINC000566368086 505155417 /nfs/dbraw/zinc/15/54/17/505155417.db2.gz RPRUUJCVRWUYLF-UHFFFAOYSA-N -1 3 355.360 3.306 20 0 FGADHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3ccn(C)c(=O)c3c2)c(C)c1 ZINC000551113518 505159789 /nfs/dbraw/zinc/15/97/89/505159789.db2.gz ZJTXQMHFOADBDT-UHFFFAOYSA-N -1 3 356.447 3.265 20 0 FGADHM O=C(Cc1cc(Cl)ccc1Br)N=c1cc2ccccn2[n-]1 ZINC000557536616 505161284 /nfs/dbraw/zinc/16/12/84/505161284.db2.gz FKAIMSYJQQBXRJ-UHFFFAOYSA-N -1 3 364.630 3.353 20 0 FGADHM O=C(N[C@H]1C[C@H]1c1ccccc1C(F)(F)F)c1cc(=O)[n-]c(C2CC2)n1 ZINC000566437287 505176194 /nfs/dbraw/zinc/17/61/94/505176194.db2.gz ADVJVPJWMWSYIS-AAEUAGOBSA-N -1 3 363.339 3.364 20 0 FGADHM CCOc1cc2c(cc1NC(=O)c1cc(F)cc3[n-]nnc31)O[C@@H](C)C2 ZINC000563607180 505191104 /nfs/dbraw/zinc/19/11/04/505191104.db2.gz MOAGMCBWPIDDAX-VIFPVBQESA-N -1 3 356.357 3.071 20 0 FGADHM CCOc1cc2c(cc1NC(=O)c1cc(F)cc3nn[n-]c31)O[C@@H](C)C2 ZINC000563607180 505191109 /nfs/dbraw/zinc/19/11/09/505191109.db2.gz MOAGMCBWPIDDAX-VIFPVBQESA-N -1 3 356.357 3.071 20 0 FGADHM CCOc1cc2c(cc1NC(=O)c1cc(F)cc3n[n-]nc31)O[C@@H](C)C2 ZINC000563607180 505191112 /nfs/dbraw/zinc/19/11/12/505191112.db2.gz MOAGMCBWPIDDAX-VIFPVBQESA-N -1 3 356.357 3.071 20 0 FGADHM O=C(N=c1cc2ccccn2[n-]1)N1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000554525071 505197269 /nfs/dbraw/zinc/19/72/69/505197269.db2.gz DHWSQDRTDMJAAI-UHFFFAOYSA-N -1 3 366.396 3.022 20 0 FGADHM O=C(N=c1cc2ccccn2[n-]1)NC1(c2ccc(Br)cc2)CC1 ZINC000554527106 505197987 /nfs/dbraw/zinc/19/79/87/505197987.db2.gz JINIHVDTGSUMHV-UHFFFAOYSA-N -1 3 371.238 3.330 20 0 FGADHM C[C@@H](NC(=O)c1c[n-]nc1-c1ccccn1)c1nc(C2CCCCC2)no1 ZINC000563653760 505201747 /nfs/dbraw/zinc/20/17/47/505201747.db2.gz ALALYYCUIRDYFS-GFCCVEGCSA-N -1 3 366.425 3.393 20 0 FGADHM C[C@@H](NC(=O)c1cn[n-]c1-c1ccccn1)c1nc(C2CCCCC2)no1 ZINC000563653760 505201751 /nfs/dbraw/zinc/20/17/51/505201751.db2.gz ALALYYCUIRDYFS-GFCCVEGCSA-N -1 3 366.425 3.393 20 0 FGADHM CCc1ccc([C@@H]2CCCN(C(=O)CNC(=O)c3cccc([O-])c3)C2)cc1 ZINC000557686167 505203566 /nfs/dbraw/zinc/20/35/66/505203566.db2.gz CXBFJASCUOVYHV-LJQANCHMSA-N -1 3 366.461 3.091 20 0 FGADHM O=C(c1cnc2ccc(Br)cc2c1[O-])N1CCC[C@@H]1C(F)F ZINC000557712650 505210341 /nfs/dbraw/zinc/21/03/41/505210341.db2.gz AOHQOTMJRREMBU-GFCCVEGCSA-N -1 3 371.181 3.160 20 0 FGADHM O=C(c1c[n-]c2ccc(Br)cc2c1=O)N1CCC[C@@H]1C(F)F ZINC000557712650 505210337 /nfs/dbraw/zinc/21/03/37/505210337.db2.gz AOHQOTMJRREMBU-GFCCVEGCSA-N -1 3 371.181 3.160 20 0 FGADHM O=C(NCC1(c2ccccc2Br)CCC1)c1csc(=O)[n-]1 ZINC000557728972 505215527 /nfs/dbraw/zinc/21/55/27/505215527.db2.gz XECYLLYUNOBMIB-UHFFFAOYSA-N -1 3 367.268 3.463 20 0 FGADHM Cn1c(CNC2(C(=O)[O-])CCCCC2)nc2cc(C(F)(F)F)ccc21 ZINC000551420607 505222476 /nfs/dbraw/zinc/22/24/76/505222476.db2.gz FPTXUXLEZIBUHI-UHFFFAOYSA-N -1 3 355.360 3.469 20 0 FGADHM COC1(CC[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)CCC1 ZINC000561028706 505232962 /nfs/dbraw/zinc/23/29/62/505232962.db2.gz BDAUWIILBFALCE-UHFFFAOYSA-N -1 3 355.353 3.082 20 0 FGADHM COC(=O)c1ccc(F)c(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)c1 ZINC000561029516 505233362 /nfs/dbraw/zinc/23/33/62/505233362.db2.gz RQVPQXBLUAHPLQ-UHFFFAOYSA-N -1 3 372.327 3.154 20 0 FGADHM COc1cccc(C[C@H](C)[N-]S(=O)(=O)c2cccnc2C(F)(F)F)c1 ZINC000557819754 505238525 /nfs/dbraw/zinc/23/85/25/505238525.db2.gz HPMKWBVAFQBYPN-NSHDSACASA-N -1 3 374.384 3.019 20 0 FGADHM CN(Cc1ccc(Br)cc1)C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000561053460 505238561 /nfs/dbraw/zinc/23/85/61/505238561.db2.gz OERZANIGDZJWHI-UHFFFAOYSA-N -1 3 362.227 3.094 20 0 FGADHM O=S(=O)([N-][C@H]1C[C@H](c2ccccc2F)C1)c1cccnc1C(F)(F)F ZINC000557845108 505244740 /nfs/dbraw/zinc/24/47/40/505244740.db2.gz VIQQAGMFKVIXDI-XYPYZODXSA-N -1 3 374.359 3.464 20 0 FGADHM O=C(N[C@H]1CCSc2ccc(F)cc21)c1c[n-]c2ccncc2c1=O ZINC000561084362 505246823 /nfs/dbraw/zinc/24/68/23/505246823.db2.gz UEBJVZTWKZIWTA-HNNXBMFYSA-N -1 3 355.394 3.029 20 0 FGADHM C[C@@H]1Oc2cc(F)ccc2[C@@H]1[N-]S(=O)(=O)Cc1cccc(Cl)c1 ZINC000566819104 505280509 /nfs/dbraw/zinc/28/05/09/505280509.db2.gz SWZFPMRRHUAWAS-MGPLVRAMSA-N -1 3 355.818 3.421 20 0 FGADHM CC(C)=CCC[C@@H](C)CC(=O)Nc1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000563959572 505288685 /nfs/dbraw/zinc/28/86/85/505288685.db2.gz JDRSUGBCXKNWIM-JLTOFOAXSA-N -1 3 357.454 3.452 20 0 FGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(Oc2cccnc2)nc1 ZINC000551761218 505299830 /nfs/dbraw/zinc/29/98/30/505299830.db2.gz LCAHYUBNBCLMKX-UHFFFAOYSA-N -1 3 369.406 3.047 20 0 FGADHM COC(=O)c1cc(C(=O)Nc2cc(F)ccc2OCC(F)(F)F)c[n-]1 ZINC000551762013 505301000 /nfs/dbraw/zinc/30/10/00/505301000.db2.gz GXWDBPOIYQPHKG-UHFFFAOYSA-N -1 3 360.263 3.134 20 0 FGADHM CN(C)c1nc(C(=O)N2CC3(CCCC3)[C@H]2c2ccccc2)cc(=O)[n-]1 ZINC000566899384 505305110 /nfs/dbraw/zinc/30/51/10/505305110.db2.gz JXKQHMXRPAGPFC-QGZVFWFLSA-N -1 3 352.438 3.006 20 0 FGADHM COC(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccc(OC)cc2Cl)c1 ZINC000564056709 505313476 /nfs/dbraw/zinc/31/34/76/505313476.db2.gz WKDUZVJGRKBFGO-UHFFFAOYSA-N -1 3 373.789 3.075 20 0 FGADHM Cc1ccc(CS(=O)(=O)[N-][C@H](CO)c2cccc(Cl)c2F)cc1C ZINC000564097226 505325061 /nfs/dbraw/zinc/32/50/61/505325061.db2.gz GWKALXSCVSFWRX-MRXNPFEDSA-N -1 3 371.861 3.249 20 0 FGADHM CCc1cccc(C(=O)N2CCN(c3cc(OC)ccc3F)CC2)c1[O-] ZINC000564141873 505336223 /nfs/dbraw/zinc/33/62/23/505336223.db2.gz NARZICGFTANWLO-UHFFFAOYSA-N -1 3 358.413 3.065 20 0 FGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](CO)C2CCCC2)c1Cl ZINC000567033241 505344037 /nfs/dbraw/zinc/34/40/37/505344037.db2.gz RGDPCEWXDDZNNZ-LBPRGKRZSA-N -1 3 352.283 3.131 20 0 FGADHM Cc1ccc(Br)cc1S(=O)(=O)[N-][C@H](C1CC1)C(F)(F)F ZINC000567078854 505357220 /nfs/dbraw/zinc/35/72/20/505357220.db2.gz RWBWMWHMMHCTBZ-LLVKDONJSA-N -1 3 372.206 3.377 20 0 FGADHM Cn1nc([N-]S(=O)(=O)N2CCC3(CCCCC3)CC2)cc1C1CC1 ZINC000555128984 505358424 /nfs/dbraw/zinc/35/84/24/505358424.db2.gz OKWRMQOKMURNIW-UHFFFAOYSA-N -1 3 352.504 3.001 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]CC2(c3ccncc3)CCCC2)c(F)cc1F ZINC000558370099 505369246 /nfs/dbraw/zinc/36/92/46/505369246.db2.gz CANUMIMGEHRHSE-UHFFFAOYSA-N -1 3 366.433 3.459 20 0 FGADHM O=C(Cc1cncc([O-])c1)NC[C@H]1CCCCN1Cc1cccc(Cl)c1 ZINC000567123871 505370447 /nfs/dbraw/zinc/37/04/47/505370447.db2.gz UKQKUHZQFIXMLH-GOSISDBHSA-N -1 3 373.884 3.154 20 0 FGADHM C[C@@H]1Oc2cc(F)ccc2[C@H]1[N-]S(=O)(=O)c1cccc2cnccc21 ZINC000561559606 505377240 /nfs/dbraw/zinc/37/72/40/505377240.db2.gz RSZCPNHUGMJIKY-VOJFVSQTSA-N -1 3 358.394 3.174 20 0 FGADHM COc1cc(CC[N-]S(=O)(=O)c2cc(F)cc(F)c2)ccc1Cl ZINC000567174406 505385691 /nfs/dbraw/zinc/38/56/91/505385691.db2.gz QVHUITRNDUWBKC-UHFFFAOYSA-N -1 3 361.797 3.148 20 0 FGADHM CCNC(=O)Nc1ccc(C)c(NC(=O)c2[n-]nc3c2cccc3OC)c1 ZINC000564330202 505387124 /nfs/dbraw/zinc/38/71/24/505387124.db2.gz IINUDGYMROSSJC-UHFFFAOYSA-N -1 3 367.409 3.274 20 0 FGADHM CCNC(=O)Nc1ccc(C)c(NC(=O)c2n[n-]c3c2cccc3OC)c1 ZINC000564330202 505387127 /nfs/dbraw/zinc/38/71/27/505387127.db2.gz IINUDGYMROSSJC-UHFFFAOYSA-N -1 3 367.409 3.274 20 0 FGADHM CC[C@@]([N-]S(=O)(=O)CCC1CCC1)(C(=O)OC)c1ccc(Cl)cc1 ZINC000558440112 505390222 /nfs/dbraw/zinc/39/02/22/505390222.db2.gz CMGXKPJLSCTWTC-KRWDZBQOSA-N -1 3 373.902 3.228 20 0 FGADHM COCc1cc(Cl)cc(S(=O)(=O)[N-]C2CCC(F)(F)CC2)c1 ZINC000564378787 505400472 /nfs/dbraw/zinc/40/04/72/505400472.db2.gz LFPYUZSCSMGJRT-UHFFFAOYSA-N -1 3 353.818 3.343 20 0 FGADHM CCCc1nc(=NC(=O)NC[C@H]2CCCN(C)[C@@H]2c2ccccc2)s[n-]1 ZINC000564388000 505403545 /nfs/dbraw/zinc/40/35/45/505403545.db2.gz RUAXVDMDLVIPFE-NVXWUHKLSA-N -1 3 373.526 3.117 20 0 FGADHM Cc1cccc(C)c1CS(=O)(=O)[N-]C1(C(=O)OC(C)(C)C)CCCC1 ZINC000555317259 505405597 /nfs/dbraw/zinc/40/55/97/505405597.db2.gz MJLKHNVBCYPJIO-UHFFFAOYSA-N -1 3 367.511 3.377 20 0 FGADHM CC[C@H](C)N[C@H](CNC(=O)N=c1nc(C(C)(C)C)[n-]s1)c1ccco1 ZINC000567301264 505422152 /nfs/dbraw/zinc/42/21/52/505422152.db2.gz UATRNXVMXLYVOX-NWDGAFQWSA-N -1 3 365.503 3.101 20 0 FGADHM O=S(=O)([N-][C@@H]1CCN(C2CC2)C1)c1cc2cc(Cl)ccc2s1 ZINC000555410604 505426459 /nfs/dbraw/zinc/42/64/59/505426459.db2.gz DZZCEIYGSZJCNK-GFCCVEGCSA-N -1 3 356.900 3.070 20 0 FGADHM CC[C@H](CNC(=O)c1c[n-]nc1-c1ccccn1)Oc1ccccc1C ZINC000564501390 505435400 /nfs/dbraw/zinc/43/54/00/505435400.db2.gz XGNIETKQIJMVHM-OAHLLOKOSA-N -1 3 350.422 3.368 20 0 FGADHM O=C(Nc1nnc(-c2cc3ccccc3o2)[n-]1)c1c[nH]nc1-c1ccccn1 ZINC000564526110 505441279 /nfs/dbraw/zinc/44/12/79/505441279.db2.gz WYKYFBRXXICRPZ-UHFFFAOYSA-N -1 3 371.360 3.255 20 0 FGADHM O=C(Nc1nc(-c2cc3ccccc3o2)n[n-]1)c1c[nH]nc1-c1ccccn1 ZINC000564526110 505441285 /nfs/dbraw/zinc/44/12/85/505441285.db2.gz WYKYFBRXXICRPZ-UHFFFAOYSA-N -1 3 371.360 3.255 20 0 FGADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)c1c[nH]nc1-c1ccccn1 ZINC000564526110 505441288 /nfs/dbraw/zinc/44/12/88/505441288.db2.gz WYKYFBRXXICRPZ-UHFFFAOYSA-N -1 3 371.360 3.255 20 0 FGADHM COc1cc(Br)cc(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000567404785 505452617 /nfs/dbraw/zinc/45/26/17/505452617.db2.gz MBXSOKFWLQZGQK-UHFFFAOYSA-N -1 3 364.199 3.083 20 0 FGADHM CCc1oc(C(=O)[N-]c2cc(C(=O)OC)ccc2Cl)cc1C(=O)OC ZINC000558762558 505486302 /nfs/dbraw/zinc/48/63/02/505486302.db2.gz SXLJJFUIOAIIDM-UHFFFAOYSA-N -1 3 365.769 3.321 20 0 FGADHM COCc1nc(Cc2noc(CCCc3ccc([O-])c(F)c3)n2)cs1 ZINC000567519144 505486307 /nfs/dbraw/zinc/48/63/07/505486307.db2.gz QHJKMPIOEAGURF-UHFFFAOYSA-N -1 3 363.414 3.283 20 0 FGADHM COCCN(Cc1nc2c3ccccc3oc2c(=O)[n-]1)[C@H]1CCCSC1 ZINC000555783463 505513723 /nfs/dbraw/zinc/51/37/23/505513723.db2.gz FGTQTADNLODQJA-ZDUSSCGKSA-N -1 3 373.478 3.426 20 0 FGADHM C[N-]S(=O)(=O)c1cc(NC(=O)C[C@@H]2CCCCC2(C)C)ccc1F ZINC000552602785 505520472 /nfs/dbraw/zinc/52/04/72/505520472.db2.gz SFTWVXXCGQTBAS-LBPRGKRZSA-N -1 3 356.463 3.279 20 0 FGADHM C[N-]S(=O)(=O)c1cc(NC(=O)C[C@H]2CCCCC2(C)C)ccc1F ZINC000552602784 505520832 /nfs/dbraw/zinc/52/08/32/505520832.db2.gz SFTWVXXCGQTBAS-GFCCVEGCSA-N -1 3 356.463 3.279 20 0 FGADHM CO[C@@H](Cc1ccccc1)CN(CCC(=O)[O-])Cc1cccc(F)c1F ZINC000564801798 505524455 /nfs/dbraw/zinc/52/44/55/505524455.db2.gz HKXXXHAJFAGCIS-KRWDZBQOSA-N -1 3 363.404 3.499 20 0 FGADHM COc1cc(=NC(=O)c2sc3ccccc3c2Br)[n-]n1C ZINC000562194916 505537478 /nfs/dbraw/zinc/53/74/78/505537478.db2.gz XNRHATSHXATASZ-UHFFFAOYSA-N -1 3 366.240 3.080 20 0 FGADHM COC(=O)Cc1cccc(S(=O)(=O)[N-]c2c(C)c(F)ccc2Cl)c1 ZINC000562236396 505547925 /nfs/dbraw/zinc/54/79/25/505547925.db2.gz IDKNMTPJLJPIKZ-UHFFFAOYSA-N -1 3 371.817 3.304 20 0 FGADHM CCSCC[C@@H](C)NC(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000603042487 506395293 /nfs/dbraw/zinc/39/52/93/506395293.db2.gz IVVJJEBWYSPERM-MRVPVSSYSA-N -1 3 358.817 3.174 20 0 FGADHM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc([C@@H]4CCOC4)cc3)ccc2O1 ZINC000582826628 506439344 /nfs/dbraw/zinc/43/93/44/506439344.db2.gz JJQATSQFPNUZDI-UKRRQHHQSA-N -1 3 359.447 3.315 20 0 FGADHM COc1ccc2c(c1)[n-]cc(C(=O)Nc1nc(-c3ccc[nH]3)cs1)c2=O ZINC000612152807 506463753 /nfs/dbraw/zinc/46/37/53/506463753.db2.gz XVOLCGGTQUGZHR-UHFFFAOYSA-N -1 3 366.402 3.241 20 0 FGADHM COc1ccc2c(c1)ncc(C(=O)Nc1nc(-c3ccc[nH]3)cs1)c2[O-] ZINC000612152807 506463756 /nfs/dbraw/zinc/46/37/56/506463756.db2.gz XVOLCGGTQUGZHR-UHFFFAOYSA-N -1 3 366.402 3.241 20 0 FGADHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N(CCc1ccccc1)Cc1ccncc1 ZINC000582913151 506486344 /nfs/dbraw/zinc/48/63/44/506486344.db2.gz BPSZWCYRSXQIMP-UHFFFAOYSA-N -1 3 374.444 3.340 20 0 FGADHM CC[C@@H]([N-]S(=O)(=O)c1c(C)oc(C)c1C(=O)OC)C1CCCCC1 ZINC000589219471 506488039 /nfs/dbraw/zinc/48/80/39/506488039.db2.gz MPTAJNYQLWTPIT-CQSZACIVSA-N -1 3 357.472 3.320 20 0 FGADHM C[C@H](SCCc1nnn[n-]1)C(=O)Nc1ccccc1Cc1ccccc1 ZINC000603338249 506488930 /nfs/dbraw/zinc/48/89/30/506488930.db2.gz MTUCZQMXKKWAGE-AWEZNQCLSA-N -1 3 367.478 3.093 20 0 FGADHM C[C@H](SCCc1nn[n-]n1)C(=O)Nc1ccccc1Cc1ccccc1 ZINC000603338249 506488938 /nfs/dbraw/zinc/48/89/38/506488938.db2.gz MTUCZQMXKKWAGE-AWEZNQCLSA-N -1 3 367.478 3.093 20 0 FGADHM COCCCOc1ccc(-c2ccc(S([O-])=CC(=O)OC)cc2)cc1 ZINC000596645010 506506937 /nfs/dbraw/zinc/50/69/37/506506937.db2.gz UEUDOOPPNKLJJC-VWLOTQADSA-N -1 3 362.447 3.050 20 0 FGADHM CSc1ccc([O-])c(C(=O)N2CCOC[C@@H]2CC(=O)c2ccccc2)c1 ZINC000612309257 506522096 /nfs/dbraw/zinc/52/20/96/506522096.db2.gz IDYXOAGXMIXWHC-HNNXBMFYSA-N -1 3 371.458 3.228 20 0 FGADHM CC(C)(C)OC(=O)[C@@H]1CC[C@H](c2nc(-c3ccc4n[n-]nc4c3)no2)C1 ZINC000593300517 506522743 /nfs/dbraw/zinc/52/27/43/506522743.db2.gz SPQIUGBGXZDQCV-NWDGAFQWSA-N -1 3 355.398 3.233 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CC[C@@H](CC3CC3)C2)c1 ZINC000582984459 506523953 /nfs/dbraw/zinc/52/39/53/506523953.db2.gz COXXXAMCFDSELG-AWEZNQCLSA-N -1 3 369.421 3.203 20 0 FGADHM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]C[C@@]2(C)CCOC2)c1Cl ZINC000603505690 506534010 /nfs/dbraw/zinc/53/40/10/506534010.db2.gz NZZNPWLWMIQLBQ-CQSZACIVSA-N -1 3 352.283 3.315 20 0 FGADHM CCOc1cc(C(=O)N=c2cc(-c3ccccc3OC)[n-][nH]2)ccc1C ZINC000603546989 506551258 /nfs/dbraw/zinc/55/12/58/506551258.db2.gz BZCKKVAZOGYMBR-UHFFFAOYSA-N -1 3 351.406 3.467 20 0 FGADHM COC(=O)Cc1occ(C)c1C(=O)[N-]c1nnc(/C=C/c2ccco2)s1 ZINC000589469111 506560506 /nfs/dbraw/zinc/56/05/06/506560506.db2.gz OGUCWSDVSPOUDO-AATRIKPKSA-N -1 3 373.390 3.171 20 0 FGADHM CC(C)c1nc2ccc(NC(=O)CNC(=O)c3ccc([O-])cc3)cc2s1 ZINC000589692789 506632186 /nfs/dbraw/zinc/63/21/86/506632186.db2.gz ZLSURUSOQJOOKK-UHFFFAOYSA-N -1 3 369.446 3.494 20 0 FGADHM CN(Cc1ccccc1-c1ccccc1)C(=O)CNC(=O)c1ccc([O-])cc1 ZINC000589696040 506634273 /nfs/dbraw/zinc/63/42/73/506634273.db2.gz YWJOJRRVGVKHCF-UHFFFAOYSA-N -1 3 374.440 3.448 20 0 FGADHM 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CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-]CC[C@@H]2CCC[C@H](C)C2)s1 ZINC000604411613 506824603 /nfs/dbraw/zinc/82/46/03/506824603.db2.gz HAHIFMXSKMWOFN-GUTXKFCHSA-N -1 3 372.556 3.440 20 0 FGADHM CCOC(=O)c1c(C)csc1[N-]C(=O)c1scc2c1OCCO2 ZINC000593943284 506840158 /nfs/dbraw/zinc/84/01/58/506840158.db2.gz WLJPXEBLLXXIAB-UHFFFAOYSA-N -1 3 353.421 3.318 20 0 FGADHM C[C@@H]1CCC[C@H](CCNC(=O)N2CCN(C(=O)c3cccc([O-])c3)CC2)C1 ZINC000604598851 506887021 /nfs/dbraw/zinc/88/70/21/506887021.db2.gz NWWFURRMZXIZKC-IAGOWNOFSA-N -1 3 373.497 3.076 20 0 FGADHM COc1ccc([C@H]2C[C@H]([N-]S(=O)(=O)c3cncc(Cl)c3)C2)cc1F ZINC000583642693 506891739 /nfs/dbraw/zinc/89/17/39/506891739.db2.gz QMQYMPSDKARZFN-AULYBMBSSA-N -1 3 370.833 3.107 20 0 FGADHM COc1ccc(COCc2noc(-c3n[n-]nc3-c3ccccc3)n2)cc1 ZINC000583659256 506898168 /nfs/dbraw/zinc/89/81/68/506898168.db2.gz MHIUSPZKHLWQRY-UHFFFAOYSA-N -1 3 363.377 3.247 20 0 FGADHM CC(C)n1ncnc1C[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000583666444 506903328 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FGADHM Cc1ccc(-c2noc(CN3C[C@@H](C(=O)[O-])[C@@H](c4ccccc4)C3)n2)cc1 ZINC000583818257 506990655 /nfs/dbraw/zinc/99/06/55/506990655.db2.gz TZYLHEPOQWUYRL-QZTJIDSGSA-N -1 3 363.417 3.345 20 0 FGADHM COC(=O)[C@@H]1CCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)[C@H]2CCC[C@H]21 ZINC000600550171 506994184 /nfs/dbraw/zinc/99/41/84/506994184.db2.gz GGAWIWIZBQBHIV-ZNMIVQPWSA-N -1 3 371.355 3.215 20 0 FGADHM COC(=O)C1(C(=O)Nc2ccc(OC(F)(F)F)cc2[O-])CC2(CCC2)C1 ZINC000597545134 507002691 /nfs/dbraw/zinc/00/26/91/507002691.db2.gz MOQIZDVAMFHVTJ-UHFFFAOYSA-N -1 3 373.327 3.353 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2cccc(-c3noc(C)n3)c2)c(C)c1C ZINC000604971659 507012234 /nfs/dbraw/zinc/01/22/34/507012234.db2.gz HZXZMEGQAVKCMZ-UHFFFAOYSA-N -1 3 373.434 3.471 20 0 FGADHM CCCN(CC(F)(F)F)C(=O)CSCc1cc(=O)[n-]c(C2CC2)n1 ZINC000600633991 507041552 /nfs/dbraw/zinc/04/15/52/507041552.db2.gz WFWRLRZNSUPPOX-UHFFFAOYSA-N -1 3 363.405 3.094 20 0 FGADHM C[C@H]1Oc2ccc(NC(=O)c3ccc4c(c3[O-])OC(C)(C)C4)cc2NC1=O ZINC000590960192 507061355 /nfs/dbraw/zinc/06/13/55/507061355.db2.gz BIGMFTFPRTZRKA-SNVBAGLBSA-N -1 3 368.389 3.077 20 0 FGADHM CCOc1ccc(S(=O)(=O)[N-]c2cccc([C@@H]3CCC(=O)N3)c2)c(C)c1 ZINC000583981730 507085042 /nfs/dbraw/zinc/08/50/42/507085042.db2.gz UMAQFXOVVANWKE-KRWDZBQOSA-N -1 3 374.462 3.146 20 0 FGADHM COC(=O)c1cccc2c1CCN(C(=O)c1cc(SC)ccc1[O-])C2 ZINC000597758481 507087126 /nfs/dbraw/zinc/08/71/26/507087126.db2.gz AUAJUIZDDUFLMI-UHFFFAOYSA-N -1 3 357.431 3.099 20 0 FGADHM CSc1ccc([O-])c(C(=O)N([C@@H](C)C(=O)OC(C)(C)C)C2CC2)c1 ZINC000597772682 507093558 /nfs/dbraw/zinc/09/35/58/507093558.db2.gz OIXSVHVAKZIVPC-NSHDSACASA-N -1 3 351.468 3.449 20 0 FGADHM COC(=O)c1ccc2c(c1)CCN2C(=O)CCCc1ccc([O-])c(F)c1 ZINC000597788109 507102754 /nfs/dbraw/zinc/10/27/54/507102754.db2.gz VYYCIVOKGRCGHD-UHFFFAOYSA-N -1 3 357.381 3.230 20 0 FGADHM COC(=O)c1cccc2c1CN(C(=O)c1cc(SC)ccc1[O-])CC2 ZINC000597805412 507111743 /nfs/dbraw/zinc/11/17/43/507111743.db2.gz PWKVKVNEVNHFJI-UHFFFAOYSA-N -1 3 357.431 3.099 20 0 FGADHM COC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(C)c1)c1cccs1 ZINC000594436990 507132962 /nfs/dbraw/zinc/13/29/62/507132962.db2.gz LEJACZFDERCTJK-CYBMUJFWSA-N -1 3 373.883 3.293 20 0 FGADHM CSC[C@@H](C)C(=O)N1CCC(C(=O)Nc2ccc([O-])cc2Cl)CC1 ZINC000597858281 507137878 /nfs/dbraw/zinc/13/78/78/507137878.db2.gz RJQQZBPCCKQOCL-LLVKDONJSA-N -1 3 370.902 3.222 20 0 FGADHM COC(=O)[C@H]1CCC[C@@H](C(=O)N=c2[nH][n-]c(C)c2-c2ccc(C)cc2)C1 ZINC000600833264 507141509 /nfs/dbraw/zinc/14/15/09/507141509.db2.gz CYMNENOHSJBUPY-CVEARBPZSA-N -1 3 355.438 3.033 20 0 FGADHM O=C(CCOc1ccc(F)c(Cl)c1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000591177876 507144171 /nfs/dbraw/zinc/14/41/71/507144171.db2.gz XMMNLGGQOXQPGU-UHFFFAOYSA-N -1 3 361.764 3.067 20 0 FGADHM O=C(CCOc1ccc(F)c(Cl)c1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000591177876 507144178 /nfs/dbraw/zinc/14/41/78/507144178.db2.gz XMMNLGGQOXQPGU-UHFFFAOYSA-N -1 3 361.764 3.067 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)[C@@H]2C[C@H](C(=O)OC(C)(C)C)C2(C)C)o1 ZINC000594484303 507150811 /nfs/dbraw/zinc/15/08/11/507150811.db2.gz JGZDWZPXJHPGHL-MELADBBJSA-N -1 3 371.499 3.259 20 0 FGADHM COc1ccc(OCCS(=O)(=O)[N-]c2cccc(CSC)c2)cc1 ZINC000610237761 507153581 /nfs/dbraw/zinc/15/35/81/507153581.db2.gz YAVPPDZJAGCOAC-UHFFFAOYSA-N -1 3 367.492 3.379 20 0 FGADHM CCOC(=O)c1nnc([N-]C(=O)c2cc3cc(F)ccc3s2)s1 ZINC000613563648 507157403 /nfs/dbraw/zinc/15/74/03/507157403.db2.gz JJHGKORREUOYFZ-UHFFFAOYSA-N -1 3 351.384 3.321 20 0 FGADHM Cc1ccc2sc(C[S@@](=O)Cc3cc(=O)[n-]c(C4CC4)n3)nc2c1 ZINC000600924732 507182774 /nfs/dbraw/zinc/18/27/74/507182774.db2.gz YJBCMFINJWBHBJ-DEOSSOPVSA-N -1 3 359.476 3.427 20 0 FGADHM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc4c(c3)CCO4)cc(Cl)c2O1 ZINC000605496476 507217231 /nfs/dbraw/zinc/21/72/31/507217231.db2.gz TWCUIBWDCNDQMC-JTQLQIEISA-N -1 3 365.838 3.399 20 0 FGADHM CCOC(=O)C[C@H](NC(=O)c1cc([O-])ccc1C(F)(F)F)C(F)(F)F ZINC000598053883 507235801 /nfs/dbraw/zinc/23/58/01/507235801.db2.gz JYGCQYLXWSZREK-JTQLQIEISA-N -1 3 373.249 3.025 20 0 FGADHM COC(=O)c1ccc2c(c1)[C@@H](CNC(=O)Cc1ccc([O-])c(F)c1)CCC2 ZINC000598106364 507258038 /nfs/dbraw/zinc/25/80/38/507258038.db2.gz AGPDANAYBDSWMZ-MRXNPFEDSA-N -1 3 371.408 3.097 20 0 FGADHM CCOC(=O)c1ccc(C[N-]S(=O)(=O)c2c(CC)cccc2CC)o1 ZINC000610590824 507308961 /nfs/dbraw/zinc/30/89/61/507308961.db2.gz ZCDCDRGVMPOHNG-UHFFFAOYSA-N -1 3 365.451 3.060 20 0 FGADHM CC(C)(C)OC(=O)[C@@H]1CCN(C(=O)Cc2cncc([O-])c2)c2ccccc21 ZINC000598204187 507313839 /nfs/dbraw/zinc/31/38/39/507313839.db2.gz VGAGCKJZESCZHT-QGZVFWFLSA-N -1 3 368.433 3.192 20 0 FGADHM CCOc1ccccc1CS(=O)(=O)c1nc(CCC2CCCC2)n[n-]1 ZINC000595035862 507363351 /nfs/dbraw/zinc/36/33/51/507363351.db2.gz LNSKZJUPQJEZOC-UHFFFAOYSA-N -1 3 363.483 3.300 20 0 FGADHM CCOc1ccccc1CS(=O)(=O)c1nnc(CCC2CCCC2)[n-]1 ZINC000595035862 507363353 /nfs/dbraw/zinc/36/33/53/507363353.db2.gz LNSKZJUPQJEZOC-UHFFFAOYSA-N -1 3 363.483 3.300 20 0 FGADHM CCOC(=O)c1c(C2CC2)csc1[N-]C(=O)C(=O)N(CC)[C@H](C)CC ZINC000595067864 507375743 /nfs/dbraw/zinc/37/57/43/507375743.db2.gz YQIKSWNQPGRUGK-LLVKDONJSA-N -1 3 366.483 3.388 20 0 FGADHM COc1cccc(C(=O)N2CCC(N3c4ccccc4C[C@H]3C)CC2)c1[O-] ZINC000614153269 507388078 /nfs/dbraw/zinc/38/80/78/507388078.db2.gz ZOZBNFUBFYLIDU-OAHLLOKOSA-N -1 3 366.461 3.457 20 0 FGADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]C[C@@H](C)c2ccc(C)cc2)c(F)c1 ZINC000606462836 507415644 /nfs/dbraw/zinc/41/56/44/507415644.db2.gz QRLXWUQSXYVBNA-CYBMUJFWSA-N -1 3 364.442 3.175 20 0 FGADHM CC(C)(C)OC(=O)C1(C)CCN(C(=O)NCc2ccc([O-])c(F)c2)CC1 ZINC000591968197 507434376 /nfs/dbraw/zinc/43/43/76/507434376.db2.gz ZVLLSUYIDWULJA-UHFFFAOYSA-N -1 3 366.433 3.185 20 0 FGADHM COc1ccccc1-c1cc(=NC(=O)c2coc(-c3ccccc3)n2)[nH][n-]1 ZINC000606531318 507436080 /nfs/dbraw/zinc/43/60/80/507436080.db2.gz QJGOFMJHPQGSAB-UHFFFAOYSA-N -1 3 360.373 3.415 20 0 FGADHM CC[C@@H](SC)C(=O)Nc1cc(I)ccc1[O-] ZINC000610966619 507457471 /nfs/dbraw/zinc/45/74/71/507457471.db2.gz PIVMFRDOMJAXOI-SNVBAGLBSA-N -1 3 351.209 3.077 20 0 FGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@@H]1CCCc2c(C)cccc21 ZINC000595386959 507477489 /nfs/dbraw/zinc/47/74/89/507477489.db2.gz FEQNMHWUVMGATJ-CQSZACIVSA-N -1 3 365.476 3.199 20 0 FGADHM CCn1ccnc1[C@H]1OCCC[C@@H]1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000584752244 507483664 /nfs/dbraw/zinc/48/36/64/507483664.db2.gz WTCSGBKFCHKSTR-HKUYNNGSSA-N -1 3 365.433 3.412 20 0 FGADHM COC(=O)c1cc(CN[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])n2c1CCCC2 ZINC000598589595 507507874 /nfs/dbraw/zinc/50/78/74/507507874.db2.gz PGKVUVNKFWDWBG-AUUYWEPGSA-N -1 3 370.449 3.163 20 0 FGADHM CCc1cc([N-]C(=O)c2nn(-c3ccccc3)cc2OCC(C)C)no1 ZINC000606887396 507543101 /nfs/dbraw/zinc/54/31/01/507543101.db2.gz HPOVEMWLWKCHOO-UHFFFAOYSA-N -1 3 354.410 3.132 20 0 FGADHM CCc1cc([N-]C(=O)c2nc(C3CC3)n(-c3ccccc3Cl)n2)no1 ZINC000606887014 507543124 /nfs/dbraw/zinc/54/31/24/507543124.db2.gz BGTSVHUCOHACNC-UHFFFAOYSA-N -1 3 357.801 3.023 20 0 FGADHM O=c1cc(-c2noc(-c3n[n-]nc3-c3ccccc3)n2)c2ccccc2[nH]1 ZINC000584867707 507547191 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CC(=O)Nc1ccc(S(=O)(=O)[N-][C@@H](C)Cc2ccccc2C)c(F)c1 ZINC000614621219 507588978 /nfs/dbraw/zinc/58/89/78/507588978.db2.gz CMZMKRIGOPHAPR-ZDUSSCGKSA-N -1 3 364.442 3.002 20 0 FGADHM CCOC(=O)c1c(C)c(C(=O)NC)sc1[N-]C(=O)c1ccc(F)s1 ZINC000598803421 507610136 /nfs/dbraw/zinc/61/01/36/507610136.db2.gz MFFNBSSKZSXFRC-UHFFFAOYSA-N -1 3 370.427 3.046 20 0 FGADHM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)[C@H]1CC[C@H](C2CCC2)CC1 ZINC000598833577 507627957 /nfs/dbraw/zinc/62/79/57/507627957.db2.gz ZMBHQNZTMQAXIB-JOCQHMNTSA-N -1 3 362.426 3.133 20 0 FGADHM O=C(Nc1ccc(F)cc1OC1CCOCC1)c1ccc2[nH][n-]c(=O)c2c1 ZINC000614708473 507628699 /nfs/dbraw/zinc/62/86/99/507628699.db2.gz IVURWZQSSUUIQT-UHFFFAOYSA-N -1 3 371.368 3.218 20 0 FGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(NC(=O)N2C3CCC2CC3)ccc1F ZINC000607221106 507657550 /nfs/dbraw/zinc/65/75/50/507657550.db2.gz OINDHDTXMBACEB-UHFFFAOYSA-N -1 3 369.462 3.061 20 0 FGADHM COc1cc(Br)ccc1CNCCSC[C@H](C)C(=O)[O-] ZINC000592462494 507666188 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351.859 3.488 20 0 FGADHM COCCOc1cc(C(=O)N=c2cc(-c3cc(C)cc(C)c3)[n-][nH]2)ccn1 ZINC000539722447 518149093 /nfs/dbraw/zinc/14/90/93/518149093.db2.gz NBBDFFUUADDPKM-UHFFFAOYSA-N -1 3 366.421 3.366 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)c1-c1ccccc1 ZINC000522811430 518165643 /nfs/dbraw/zinc/16/56/43/518165643.db2.gz QBWFMAAJDMOJKC-SFHVURJKSA-N -1 3 374.444 3.372 20 0 FGADHM COC(=O)c1ccc(C(=O)N=c2cc(-c3ccccc3OC)[n-][nH]2)c(F)c1 ZINC000614264482 520881556 /nfs/dbraw/zinc/88/15/56/520881556.db2.gz WVGAMRIZYYFDJJ-UHFFFAOYSA-N -1 3 369.352 3.263 20 0 FGADHM Cc1ccccc1-c1cc(=NC(=O)c2ccnc(N3CCCCC3)n2)[nH][n-]1 ZINC000606931046 521208809 /nfs/dbraw/zinc/20/88/09/521208809.db2.gz LQOBKMRJXSVZMJ-UHFFFAOYSA-N -1 3 362.437 3.418 20 0 FGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@@H]1CC(=O)N(c2ccc(F)c(F)c2)C1 ZINC000630012011 522582420 /nfs/dbraw/zinc/58/24/20/522582420.db2.gz QXNVPKRIJWDUJN-LLVKDONJSA-N -1 3 362.380 3.111 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@@H]2CCN(CC(F)(F)F)C2)c1-c1ccccc1F ZINC000630024395 522587351 /nfs/dbraw/zinc/58/73/51/522587351.db2.gz UGTLSNFOWJSPNI-LLVKDONJSA-N -1 3 370.350 3.347 20 0 FGADHM Cc1cccc(N2CCN(CCCCN=c3[nH]cc(C(=O)[O-])s3)CC2)c1 ZINC000630457064 522862038 /nfs/dbraw/zinc/86/20/38/522862038.db2.gz SMBQAFPCWOILFI-UHFFFAOYSA-N -1 3 374.510 3.164 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@H]2CCc3cnc(C)n3C2)c1-c1ccccc1F ZINC000634422750 523394755 /nfs/dbraw/zinc/39/47/55/523394755.db2.gz NVSGWOXJCUSHTO-ZDUSSCGKSA-N -1 3 353.401 3.230 20 0 FGADHM CC(C)Oc1ccc(=NC(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)[n-]n1 ZINC000482371601 561253203 /nfs/dbraw/zinc/25/32/03/561253203.db2.gz ZGBVNIGBVVQZCN-KDOFPFPSSA-N -1 3 357.458 3.077 20 0 FGADHM Cc1ccc(C2(C(=O)N=c3cc(OC(F)F)n(C)[n-]3)CCOCC2)cc1 ZINC000490935530 561440718 /nfs/dbraw/zinc/44/07/18/561440718.db2.gz HHRJBEJHJKCSFM-UHFFFAOYSA-N -1 3 365.380 3.017 20 0 FGADHM CCc1ccc(NC(=O)C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)cc1Cl ZINC000501498073 561598969 /nfs/dbraw/zinc/59/89/69/561598969.db2.gz LNIOHVROKMOOBR-AWEZNQCLSA-N -1 3 362.817 3.054 20 0 FGADHM Cc1nc(C)c(C(=O)N=c2cc3ccc(Br)cn3[n-]2)nc1C ZINC000511391363 561867626 /nfs/dbraw/zinc/86/76/26/561867626.db2.gz OWGAQWWJVUDDEX-UHFFFAOYSA-N -1 3 360.215 3.064 20 0 FGADHM CN1CC[C@@H]2CN(C(=O)N=c3[n-]nc(-c4cccc(Cl)c4)s3)C[C@@H]21 ZINC000519746883 562142235 /nfs/dbraw/zinc/14/22/35/562142235.db2.gz OUYATUOIBMQKMX-YPMHNXCESA-N -1 3 363.874 3.026 20 0 FGADHM CCc1ccc([O-])c(C(=O)NC2CCN(C(=O)c3ccccc3F)CC2)c1 ZINC000522754731 568030847 /nfs/dbraw/zinc/03/08/47/568030847.db2.gz PBRVYHVBEJMSJH-UHFFFAOYSA-N -1 3 370.424 3.128 20 0 FGADHM CC[C@@H](CS(=O)(=O)[N-]c1cc(Br)c(F)cc1Cl)OC ZINC000643269486 568450267 /nfs/dbraw/zinc/45/02/67/568450267.db2.gz CKOQGDMPHHFWLX-ZETCQYMHSA-N -1 3 374.659 3.408 20 0 FGADHM C[C@]1(c2ccccc2)CCCN(c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC000736231511 598829700 /nfs/dbraw/zinc/82/97/00/598829700.db2.gz XSLLKYHEHAHOSF-SFHVURJKSA-N -1 3 354.845 3.473 20 0 FGADHM C[C@]1(c2ccccc2)CCCN(c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC000736231511 598829702 /nfs/dbraw/zinc/82/97/02/598829702.db2.gz XSLLKYHEHAHOSF-SFHVURJKSA-N -1 3 354.845 3.473 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H](C)c1cccc(C)c1 ZINC000736634919 598830629 /nfs/dbraw/zinc/83/06/29/598830629.db2.gz KUPGFHNDZXBGFY-ZDUSSCGKSA-N -1 3 351.410 3.316 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H](C)c1cccc(C)c1 ZINC000736634919 598830630 /nfs/dbraw/zinc/83/06/30/598830630.db2.gz KUPGFHNDZXBGFY-ZDUSSCGKSA-N -1 3 351.410 3.316 20 0 FGADHM Cc1nn(-c2ccc(-c3nn[n-]n3)cc2)c(NC(=O)C[C@H](C)C2CC2)c1C ZINC000737502762 598839452 /nfs/dbraw/zinc/83/94/52/598839452.db2.gz JGCGKJKRGCORQL-NSHDSACASA-N -1 3 365.441 3.044 20 0 FGADHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)c1ccc(C(F)F)cc1 ZINC000736037080 598881167 /nfs/dbraw/zinc/88/11/67/598881167.db2.gz DBGVXUIHQBOTAV-LLVKDONJSA-N -1 3 374.347 3.429 20 0 FGADHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)c1ccc(C(F)F)cc1 ZINC000736037080 598881169 /nfs/dbraw/zinc/88/11/69/598881169.db2.gz DBGVXUIHQBOTAV-LLVKDONJSA-N -1 3 374.347 3.429 20 0 FGADHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)[C@@H](C)c1ccccc1F ZINC000736038029 598889344 /nfs/dbraw/zinc/88/93/44/598889344.db2.gz RECIDNJSZRHKLU-OLZOCXBDSA-N -1 3 370.384 3.120 20 0 FGADHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)[C@@H](C)c1ccccc1F ZINC000736038029 598889345 /nfs/dbraw/zinc/88/93/45/598889345.db2.gz RECIDNJSZRHKLU-OLZOCXBDSA-N -1 3 370.384 3.120 20 0 FGADHM Cc1cc(OC(F)F)c(C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)s1 ZINC000737279815 598905046 /nfs/dbraw/zinc/90/50/46/598905046.db2.gz RFMRHXVPYQAXDP-UHFFFAOYSA-N -1 3 365.365 3.399 20 0 FGADHM Cc1cc(OC(F)F)c(C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)s1 ZINC000737279815 598905047 /nfs/dbraw/zinc/90/50/47/598905047.db2.gz RFMRHXVPYQAXDP-UHFFFAOYSA-N -1 3 365.365 3.399 20 0 FGADHM Cc1cccc([C@@H](C)C(=O)O[C@H](C)COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737390892 598909769 /nfs/dbraw/zinc/90/97/69/598909769.db2.gz WNTNPKKPSQPJKA-HUUCEWRRSA-N -1 3 366.421 3.289 20 0 FGADHM Cc1cccc([C@@H](C)C(=O)O[C@H](C)COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737390892 598909770 /nfs/dbraw/zinc/90/97/70/598909770.db2.gz WNTNPKKPSQPJKA-HUUCEWRRSA-N -1 3 366.421 3.289 20 0 FGADHM CC(C)c1ccc([C@@H]2C[C@H]2C(=O)NCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735924033 598911253 /nfs/dbraw/zinc/91/12/53/598911253.db2.gz OGHILGDJPCIPDC-RBUKOAKNSA-N -1 3 361.449 3.410 20 0 FGADHM CC(C)c1ccc([C@@H]2C[C@H]2C(=O)NCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735924033 598911254 /nfs/dbraw/zinc/91/12/54/598911254.db2.gz OGHILGDJPCIPDC-RBUKOAKNSA-N -1 3 361.449 3.410 20 0 FGADHM C[C@@](O)(CNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccccc1 ZINC000736143706 598913616 /nfs/dbraw/zinc/91/36/16/598913616.db2.gz VNRGFMOVACKNEH-MRXNPFEDSA-N -1 3 363.343 3.205 20 0 FGADHM C[C@@](O)(CNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccccc1 ZINC000736143706 598913617 /nfs/dbraw/zinc/91/36/17/598913617.db2.gz VNRGFMOVACKNEH-MRXNPFEDSA-N -1 3 363.343 3.205 20 0 FGADHM CCc1ccccc1CNC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736695529 598914053 /nfs/dbraw/zinc/91/40/53/598914053.db2.gz MYJAHCFGNXZENM-UHFFFAOYSA-N -1 3 367.457 3.307 20 0 FGADHM CCc1ccccc1CNC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736695529 598914054 /nfs/dbraw/zinc/91/40/54/598914054.db2.gz MYJAHCFGNXZENM-UHFFFAOYSA-N -1 3 367.457 3.307 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)[C@H]1Cc2ccccc21 ZINC000736625517 598923588 /nfs/dbraw/zinc/92/35/88/598923588.db2.gz AUAICDKBHUUIOA-ZDUSSCGKSA-N -1 3 370.796 3.164 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)[C@H]1Cc2ccccc21 ZINC000736625517 598923590 /nfs/dbraw/zinc/92/35/90/598923590.db2.gz AUAICDKBHUUIOA-ZDUSSCGKSA-N -1 3 370.796 3.164 20 0 FGADHM Cc1ccc(NC(=O)c2sccc2-c2nnn[n-]2)cc1OC(F)F ZINC000737358871 598929838 /nfs/dbraw/zinc/92/98/38/598929838.db2.gz ASQGUSFDLQFCOV-UHFFFAOYSA-N -1 3 351.338 3.090 20 0 FGADHM Cc1ccc(NC(=O)c2sccc2-c2nn[n-]n2)cc1OC(F)F ZINC000737358871 598929840 /nfs/dbraw/zinc/92/98/40/598929840.db2.gz ASQGUSFDLQFCOV-UHFFFAOYSA-N -1 3 351.338 3.090 20 0 FGADHM CC(C)C(=O)Nc1ccc(Nc2ncc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000735693645 598934507 /nfs/dbraw/zinc/93/45/07/598934507.db2.gz ZQBHQCCGCXBOQA-UHFFFAOYSA-N -1 3 357.805 3.253 20 0 FGADHM CC(C)C(=O)Nc1ccc(Nc2ncc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000735693645 598934509 /nfs/dbraw/zinc/93/45/09/598934509.db2.gz ZQBHQCCGCXBOQA-UHFFFAOYSA-N -1 3 357.805 3.253 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OCCSCc1ccccc1C ZINC000737031629 598937784 /nfs/dbraw/zinc/93/77/84/598937784.db2.gz BJYRPYZFGVLZNS-UHFFFAOYSA-N -1 3 356.451 3.496 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OCCSCc1ccccc1C ZINC000737031629 598937785 /nfs/dbraw/zinc/93/77/85/598937785.db2.gz BJYRPYZFGVLZNS-UHFFFAOYSA-N -1 3 356.451 3.496 20 0 FGADHM COc1ccccc1SCCOc1ccc(-c2nnn[n-]2)cc1OC ZINC000737033557 598939767 /nfs/dbraw/zinc/93/97/67/598939767.db2.gz WYWGISFGMHTSLN-UHFFFAOYSA-N -1 3 358.423 3.055 20 0 FGADHM COc1ccccc1SCCOc1ccc(-c2nn[n-]n2)cc1OC ZINC000737033557 598939769 /nfs/dbraw/zinc/93/97/69/598939769.db2.gz WYWGISFGMHTSLN-UHFFFAOYSA-N -1 3 358.423 3.055 20 0 FGADHM Cc1ccc(NCCOc2ccc(-c3nn[n-]n3)cc2)cc1OC(F)F ZINC000737362754 598946166 /nfs/dbraw/zinc/94/61/66/598946166.db2.gz UVPTXKIRJFXSSZ-UHFFFAOYSA-N -1 3 361.352 3.267 20 0 FGADHM O=C1[C@@H](Nc2ccc3ccccc3c2)CCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000738294249 598960290 /nfs/dbraw/zinc/96/02/90/598960290.db2.gz APGVDYVDFBEAIU-IBGZPJMESA-N -1 3 370.416 3.237 20 0 FGADHM O=C1[C@@H](Nc2ccc3ccccc3c2)CCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738294249 598960291 /nfs/dbraw/zinc/96/02/91/598960291.db2.gz APGVDYVDFBEAIU-IBGZPJMESA-N -1 3 370.416 3.237 20 0 FGADHM CCOC(=O)[C@@H](C)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736586622 598960738 /nfs/dbraw/zinc/96/07/38/598960738.db2.gz ONVYUQBNDQBNNQ-GFCCVEGCSA-N -1 3 353.382 3.023 20 0 FGADHM CCOC(=O)[C@@H](C)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736586622 598960740 /nfs/dbraw/zinc/96/07/40/598960740.db2.gz ONVYUQBNDQBNNQ-GFCCVEGCSA-N -1 3 353.382 3.023 20 0 FGADHM c1ccc(-c2nnn[n-]2)c(OCc2cccc(-c3nc(C4CC4)no3)c2)c1 ZINC000738412115 598970829 /nfs/dbraw/zinc/97/08/29/598970829.db2.gz AHDOGURMIIHFGX-UHFFFAOYSA-N -1 3 360.377 3.373 20 0 FGADHM c1ccc(-c2nn[n-]n2)c(OCc2cccc(-c3nc(C4CC4)no3)c2)c1 ZINC000738412115 598970831 /nfs/dbraw/zinc/97/08/31/598970831.db2.gz AHDOGURMIIHFGX-UHFFFAOYSA-N -1 3 360.377 3.373 20 0 FGADHM O[C@@H](CNc1cc(Cl)ccc1-c1nnn[n-]1)c1ccccc1Cl ZINC000738381602 598974735 /nfs/dbraw/zinc/97/47/35/598974735.db2.gz ILCDKIIPEWCWSE-AWEZNQCLSA-N -1 3 350.209 3.319 20 0 FGADHM O[C@@H](CNc1cc(Cl)ccc1-c1nn[n-]n1)c1ccccc1Cl ZINC000738381602 598974737 /nfs/dbraw/zinc/97/47/37/598974737.db2.gz ILCDKIIPEWCWSE-AWEZNQCLSA-N -1 3 350.209 3.319 20 0 FGADHM O[C@@H](CNc1ccc(-c2nn[n-]n2)cc1F)c1c(Cl)cccc1Cl ZINC000738384593 598977270 /nfs/dbraw/zinc/97/72/70/598977270.db2.gz UMRRZWWDQYALCD-ZDUSSCGKSA-N -1 3 368.199 3.458 20 0 FGADHM CCC(C)(C)NC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000736315644 598980099 /nfs/dbraw/zinc/98/00/99/598980099.db2.gz SSESFLYYPOLSLV-UHFFFAOYSA-N -1 3 365.437 3.364 20 0 FGADHM CCC(C)(C)NC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000736315644 598980100 /nfs/dbraw/zinc/98/01/00/598980100.db2.gz SSESFLYYPOLSLV-UHFFFAOYSA-N -1 3 365.437 3.364 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)Oc1ccc(C(C)(C)C)cc1 ZINC000737226321 598994938 /nfs/dbraw/zinc/99/49/38/598994938.db2.gz VFJQMLRKHWIWHZ-UHFFFAOYSA-N -1 3 372.450 3.240 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)Oc1ccc(C(C)(C)C)cc1 ZINC000737226321 598994939 /nfs/dbraw/zinc/99/49/39/598994939.db2.gz VFJQMLRKHWIWHZ-UHFFFAOYSA-N -1 3 372.450 3.240 20 0 FGADHM Cc1cccnc1[C@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)C(C)C ZINC000737436342 599009272 /nfs/dbraw/zinc/00/92/72/599009272.db2.gz RMSFOTDWXAQGTO-RXQFDZFGSA-N -1 3 362.437 3.097 20 0 FGADHM Cc1cccnc1[C@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)C(C)C ZINC000737436342 599009273 /nfs/dbraw/zinc/00/92/73/599009273.db2.gz RMSFOTDWXAQGTO-RXQFDZFGSA-N -1 3 362.437 3.097 20 0 FGADHM CCO[C@H]1C[C@@H](N(C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)C12CCCC2 ZINC000736619060 599012767 /nfs/dbraw/zinc/01/27/67/599012767.db2.gz XDVKTNPFVNFRRD-CVEARBPZSA-N -1 3 370.457 3.068 20 0 FGADHM CCO[C@H]1C[C@@H](N(C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)C12CCCC2 ZINC000736619060 599012769 /nfs/dbraw/zinc/01/27/69/599012769.db2.gz XDVKTNPFVNFRRD-CVEARBPZSA-N -1 3 370.457 3.068 20 0 FGADHM Cc1nn(C)c2nc(Cl)c(CNc3cccc(-c4nnn[n-]4)c3C)cc12 ZINC000822121147 607257495 /nfs/dbraw/zinc/25/74/95/607257495.db2.gz ATJXMVDTPVZKAP-UHFFFAOYSA-N -1 3 368.832 3.031 20 0 FGADHM Cc1nn(C)c2nc(Cl)c(CNc3cccc(-c4nn[n-]n4)c3C)cc12 ZINC000822121147 607257496 /nfs/dbraw/zinc/25/74/96/607257496.db2.gz ATJXMVDTPVZKAP-UHFFFAOYSA-N -1 3 368.832 3.031 20 0 FGADHM CCC(CC)c1cc(CNc2c(-c3nnn[n-]3)cnc3ccccc32)on1 ZINC000820897644 599045806 /nfs/dbraw/zinc/04/58/06/599045806.db2.gz KDKOWBDBDFTMDL-UHFFFAOYSA-N -1 3 363.425 3.341 20 0 FGADHM CCC(CC)c1cc(CNc2c(-c3nn[n-]n3)cnc3ccccc32)on1 ZINC000820897644 599045809 /nfs/dbraw/zinc/04/58/09/599045809.db2.gz KDKOWBDBDFTMDL-UHFFFAOYSA-N -1 3 363.425 3.341 20 0 FGADHM Cc1cc(C)c(-c2nnn[n-]2)c(N2CCC(OCC3CCCCC3)CC2)n1 ZINC000822191954 599057107 /nfs/dbraw/zinc/05/71/07/599057107.db2.gz VJCMOZQDFVOSRN-UHFFFAOYSA-N -1 3 370.501 3.444 20 0 FGADHM Cc1cc(C)c(-c2nn[n-]n2)c(N2CCC(OCC3CCCCC3)CC2)n1 ZINC000822191954 599057109 /nfs/dbraw/zinc/05/71/09/599057109.db2.gz VJCMOZQDFVOSRN-UHFFFAOYSA-N -1 3 370.501 3.444 20 0 FGADHM Cc1ccc(N2CCC[C@@H](Nc3ncc(-c4nnn[n-]4)cc3Cl)C2)cc1 ZINC000822242263 599064800 /nfs/dbraw/zinc/06/48/00/599064800.db2.gz GCYLBWMBCAMHDV-CQSZACIVSA-N -1 3 369.860 3.304 20 0 FGADHM Cc1ccc(N2CCC[C@@H](Nc3ncc(-c4nn[n-]n4)cc3Cl)C2)cc1 ZINC000822242263 599064802 /nfs/dbraw/zinc/06/48/02/599064802.db2.gz GCYLBWMBCAMHDV-CQSZACIVSA-N -1 3 369.860 3.304 20 0 FGADHM CCO[C@@H](C)c1nc(CN(C)c2nc(C)cc(C)c2-c2nnn[n-]2)cs1 ZINC000821347509 599071789 /nfs/dbraw/zinc/07/17/89/599071789.db2.gz WJRXQCPXJPAYMO-LBPRGKRZSA-N -1 3 373.486 3.069 20 0 FGADHM CCO[C@@H](C)c1nc(CN(C)c2nc(C)cc(C)c2-c2nn[n-]n2)cs1 ZINC000821347509 599071792 /nfs/dbraw/zinc/07/17/92/599071792.db2.gz WJRXQCPXJPAYMO-LBPRGKRZSA-N -1 3 373.486 3.069 20 0 FGADHM CS[C@H]1CC[C@H](Nc2c(-c3nnn[n-]3)cnc3c(C)cc(C)cc32)C1 ZINC000821950331 599073189 /nfs/dbraw/zinc/07/31/89/599073189.db2.gz MNIBQKADMJCBQC-STQMWFEESA-N -1 3 354.483 3.150 20 0 FGADHM CS[C@H]1CC[C@H](Nc2c(-c3nn[n-]n3)cnc3c(C)cc(C)cc32)C1 ZINC000821950331 599073192 /nfs/dbraw/zinc/07/31/92/599073192.db2.gz MNIBQKADMJCBQC-STQMWFEESA-N -1 3 354.483 3.150 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000737291102 599073846 /nfs/dbraw/zinc/07/38/46/599073846.db2.gz HXPFRYKFZAHBJP-OCCSQVGLSA-N -1 3 355.348 3.196 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000737291102 599073851 /nfs/dbraw/zinc/07/38/51/599073851.db2.gz HXPFRYKFZAHBJP-OCCSQVGLSA-N -1 3 355.348 3.196 20 0 FGADHM CS[C@@H]1CC[C@H](Nc2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)C1 ZINC000821950357 599075862 /nfs/dbraw/zinc/07/58/62/599075862.db2.gz MQHBUXUTYBAOGC-WDEREUQCSA-N -1 3 360.874 3.186 20 0 FGADHM CS[C@@H]1CC[C@H](Nc2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)C1 ZINC000821950357 599075864 /nfs/dbraw/zinc/07/58/64/599075864.db2.gz MQHBUXUTYBAOGC-WDEREUQCSA-N -1 3 360.874 3.186 20 0 FGADHM COc1ccc(O[C@@H](C)CNc2ccc(Cl)cc2-c2nnn[n-]2)cc1 ZINC000821838801 599075978 /nfs/dbraw/zinc/07/59/78/599075978.db2.gz PLVRRNKICJVVKH-NSHDSACASA-N -1 3 359.817 3.408 20 0 FGADHM COc1ccc(O[C@@H](C)CNc2ccc(Cl)cc2-c2nn[n-]n2)cc1 ZINC000821838801 599075980 /nfs/dbraw/zinc/07/59/80/599075980.db2.gz PLVRRNKICJVVKH-NSHDSACASA-N -1 3 359.817 3.408 20 0 FGADHM Fc1ccc(-c2nn[n-]n2)cc1CN1CCSC[C@H]1c1ccccc1 ZINC000737648947 599081284 /nfs/dbraw/zinc/08/12/84/599081284.db2.gz JQLQOZQEYCOEKK-KRWDZBQOSA-N -1 3 355.442 3.296 20 0 FGADHM C[C@H]1CCCN(C(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)[C@H]1C ZINC000736267151 599082891 /nfs/dbraw/zinc/08/28/91/599082891.db2.gz QHLOUOJMCAKSHS-GJZGRUSLSA-N -1 3 357.458 3.063 20 0 FGADHM C[C@H]1CCCN(C(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)[C@H]1C ZINC000736267151 599082892 /nfs/dbraw/zinc/08/28/92/599082892.db2.gz QHLOUOJMCAKSHS-GJZGRUSLSA-N -1 3 357.458 3.063 20 0 FGADHM CCSCc1cccc(NC(=O)COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736668082 599084516 /nfs/dbraw/zinc/08/45/16/599084516.db2.gz XFOKPDHXBWNCAU-UHFFFAOYSA-N -1 3 369.450 3.137 20 0 FGADHM Cc1cc(C)c(-c2nnn[n-]2)c(N2CC[C@H](CSc3ccccc3)C2)n1 ZINC000822191136 599088162 /nfs/dbraw/zinc/08/81/62/599088162.db2.gz GEKCQQWJRPAYAO-HNNXBMFYSA-N -1 3 366.494 3.497 20 0 FGADHM Cc1cc(C)c(-c2nn[n-]n2)c(N2CC[C@H](CSc3ccccc3)C2)n1 ZINC000822191136 599088165 /nfs/dbraw/zinc/08/81/65/599088165.db2.gz GEKCQQWJRPAYAO-HNNXBMFYSA-N -1 3 366.494 3.497 20 0 FGADHM Cc1cccc2c(CCNC(=O)C=Cc3ccccc3-c3nnn[n-]3)c[nH]c21 ZINC000737410343 599103605 /nfs/dbraw/zinc/10/36/05/599103605.db2.gz RPTZIGWYLHBDGQ-MDZDMXLPSA-N -1 3 372.432 3.029 20 0 FGADHM Cc1cccc2c(CCNC(=O)C=Cc3ccccc3-c3nn[n-]n3)c[nH]c21 ZINC000737410343 599103607 /nfs/dbraw/zinc/10/36/07/599103607.db2.gz RPTZIGWYLHBDGQ-MDZDMXLPSA-N -1 3 372.432 3.029 20 0 FGADHM Cc1ccc([C@@H]2OCCC[C@H]2CNc2ncccc2-c2nnn[n-]2)cc1 ZINC000822233429 599108457 /nfs/dbraw/zinc/10/84/57/599108457.db2.gz ORMVLKKOAKMLEQ-RDJZCZTQSA-N -1 3 350.426 3.150 20 0 FGADHM Cc1ccc([C@@H]2OCCC[C@H]2CNc2ncccc2-c2nn[n-]n2)cc1 ZINC000822233429 599108460 /nfs/dbraw/zinc/10/84/60/599108460.db2.gz ORMVLKKOAKMLEQ-RDJZCZTQSA-N -1 3 350.426 3.150 20 0 FGADHM O[C@H](C[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000823675185 599109760 /nfs/dbraw/zinc/10/97/60/599109760.db2.gz VKDVCANUBQPEPV-MAUKXSAKSA-N -1 3 353.401 3.098 20 0 FGADHM O[C@@H](C[C@@H]1CCCN1c1c(F)cc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000823674936 599109762 /nfs/dbraw/zinc/10/97/62/599109762.db2.gz UFBJTRBLOLCXSL-YOEHRIQHSA-N -1 3 371.391 3.237 20 0 FGADHM O[C@@H](C[C@@H]1CCCN1c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000823674936 599109763 /nfs/dbraw/zinc/10/97/63/599109763.db2.gz UFBJTRBLOLCXSL-YOEHRIQHSA-N -1 3 371.391 3.237 20 0 FGADHM Cc1ccccc1CN(Cc1ccccn1)c1ncccc1-c1nnn[n-]1 ZINC000737428984 599120936 /nfs/dbraw/zinc/12/09/36/599120936.db2.gz ZZBXGROQJBEQCV-UHFFFAOYSA-N -1 3 357.421 3.172 20 0 FGADHM Cc1ccccc1CN(Cc1ccccn1)c1ncccc1-c1nn[n-]n1 ZINC000737428984 599120938 /nfs/dbraw/zinc/12/09/38/599120938.db2.gz ZZBXGROQJBEQCV-UHFFFAOYSA-N -1 3 357.421 3.172 20 0 FGADHM C=Cc1cc(OC)c(OCc2ccc(F)cc2-c2nnn[n-]2)c(OC)c1 ZINC000819766590 599131491 /nfs/dbraw/zinc/13/14/91/599131491.db2.gz ZRSWZLMZGARPRM-UHFFFAOYSA-N -1 3 356.357 3.245 20 0 FGADHM C=Cc1cc(OC)c(OCc2ccc(F)cc2-c2nn[n-]n2)c(OC)c1 ZINC000819766590 599131493 /nfs/dbraw/zinc/13/14/93/599131493.db2.gz ZRSWZLMZGARPRM-UHFFFAOYSA-N -1 3 356.357 3.245 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H](c1ncccc1C)C(C)C ZINC000737291084 599145912 /nfs/dbraw/zinc/14/59/12/599145912.db2.gz HQWABWARBRESLK-INIZCTEOSA-N -1 3 365.441 3.397 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H](c1ncccc1C)C(C)C ZINC000737291084 599145914 /nfs/dbraw/zinc/14/59/14/599145914.db2.gz HQWABWARBRESLK-INIZCTEOSA-N -1 3 365.441 3.397 20 0 FGADHM C[C@@H](OC(=O)C[C@@H]1OCCc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000736150334 599153230 /nfs/dbraw/zinc/15/32/30/599153230.db2.gz NDUKZDIFEMMXSD-ACJLOTCBSA-N -1 3 364.405 3.175 20 0 FGADHM C[C@@H](OC(=O)C[C@@H]1OCCc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000736150334 599153231 /nfs/dbraw/zinc/15/32/31/599153231.db2.gz NDUKZDIFEMMXSD-ACJLOTCBSA-N -1 3 364.405 3.175 20 0 FGADHM CCOc1ccc(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000736647529 599171109 /nfs/dbraw/zinc/17/11/09/599171109.db2.gz QCEQDCRRUSPPAK-UHFFFAOYSA-N -1 3 373.413 3.135 20 0 FGADHM CCOc1ccc(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000736647529 599171112 /nfs/dbraw/zinc/17/11/12/599171112.db2.gz QCEQDCRRUSPPAK-UHFFFAOYSA-N -1 3 373.413 3.135 20 0 FGADHM CCN(Cc1ccccc1)C(=O)CSc1ccc(-c2nnn[n-]2)cc1F ZINC000736558297 599171198 /nfs/dbraw/zinc/17/11/98/599171198.db2.gz IOVNIGMUDXIQSU-UHFFFAOYSA-N -1 3 371.441 3.147 20 0 FGADHM CCN(Cc1ccccc1)C(=O)CSc1ccc(-c2nn[n-]n2)cc1F ZINC000736558297 599171201 /nfs/dbraw/zinc/17/12/01/599171201.db2.gz IOVNIGMUDXIQSU-UHFFFAOYSA-N -1 3 371.441 3.147 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OCCSc1nc(C)c(C)s1 ZINC000737033233 599173924 /nfs/dbraw/zinc/17/39/24/599173924.db2.gz UODQTRNRRKLBIV-UHFFFAOYSA-N -1 3 363.468 3.120 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OCCSc1nc(C)c(C)s1 ZINC000737033233 599173928 /nfs/dbraw/zinc/17/39/28/599173928.db2.gz UODQTRNRRKLBIV-UHFFFAOYSA-N -1 3 363.468 3.120 20 0 FGADHM C[C@H]1CCc2c(C(=O)NCc3cc(-c4nnn[n-]4)ccc3F)csc2C1 ZINC000820728366 599176314 /nfs/dbraw/zinc/17/63/14/599176314.db2.gz VFNILVDAMCGVAV-JTQLQIEISA-N -1 3 371.441 3.122 20 0 FGADHM C[C@H]1CCc2c(C(=O)NCc3cc(-c4nn[n-]n4)ccc3F)csc2C1 ZINC000820728366 599176317 /nfs/dbraw/zinc/17/63/17/599176317.db2.gz VFNILVDAMCGVAV-JTQLQIEISA-N -1 3 371.441 3.122 20 0 FGADHM Cc1ccc(SCC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)c(C)c1 ZINC000822266788 599178775 /nfs/dbraw/zinc/17/87/75/599178775.db2.gz IQKCLCXZLWRJKN-UHFFFAOYSA-N -1 3 371.441 3.031 20 0 FGADHM Cc1ccc(SCC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)c(C)c1 ZINC000822266788 599178777 /nfs/dbraw/zinc/17/87/77/599178777.db2.gz IQKCLCXZLWRJKN-UHFFFAOYSA-N -1 3 371.441 3.031 20 0 FGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)c1cnc2ccsc2c1 ZINC000735662765 599183874 /nfs/dbraw/zinc/18/38/74/599183874.db2.gz WUSAMZHHLZKJKT-UHFFFAOYSA-N -1 3 367.438 3.285 20 0 FGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)c1cnc2ccsc2c1 ZINC000735662765 599183876 /nfs/dbraw/zinc/18/38/76/599183876.db2.gz WUSAMZHHLZKJKT-UHFFFAOYSA-N -1 3 367.438 3.285 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H](C)c1cccc(F)c1 ZINC000736634350 599184735 /nfs/dbraw/zinc/18/47/35/599184735.db2.gz GUWZUVPZGHBZDP-LLVKDONJSA-N -1 3 355.373 3.147 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H](C)c1cccc(F)c1 ZINC000736634350 599184736 /nfs/dbraw/zinc/18/47/36/599184736.db2.gz GUWZUVPZGHBZDP-LLVKDONJSA-N -1 3 355.373 3.147 20 0 FGADHM CN(C(=O)[C@H]1CCSc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000736730543 599184867 /nfs/dbraw/zinc/18/48/67/599184867.db2.gz AFQMLVQTXOYRER-HNNXBMFYSA-N -1 3 351.435 3.109 20 0 FGADHM CN(C(=O)[C@H]1CCSc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000736730543 599184870 /nfs/dbraw/zinc/18/48/70/599184870.db2.gz AFQMLVQTXOYRER-HNNXBMFYSA-N -1 3 351.435 3.109 20 0 FGADHM O=C([C@H]1Cc2ccccc21)N(Cc1ccco1)c1ccccc1-c1nnn[n-]1 ZINC000737790544 599185876 /nfs/dbraw/zinc/18/58/76/599185876.db2.gz FRHWOCQSPUFJRX-SFHVURJKSA-N -1 3 371.400 3.333 20 0 FGADHM O=C([C@H]1Cc2ccccc21)N(Cc1ccco1)c1ccccc1-c1nn[n-]n1 ZINC000737790544 599185878 /nfs/dbraw/zinc/18/58/78/599185878.db2.gz FRHWOCQSPUFJRX-SFHVURJKSA-N -1 3 371.400 3.333 20 0 FGADHM COc1ccc(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)c(C)c1 ZINC000737067012 599182590 /nfs/dbraw/zinc/18/25/90/599182590.db2.gz QMWVODBBYUOZIV-UHFFFAOYSA-N -1 3 365.437 3.235 20 0 FGADHM COc1ccc(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)c(C)c1 ZINC000737067012 599182592 /nfs/dbraw/zinc/18/25/92/599182592.db2.gz QMWVODBBYUOZIV-UHFFFAOYSA-N -1 3 365.437 3.235 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@@H]1c1ccc(C)o1 ZINC000737061961 599188608 /nfs/dbraw/zinc/18/86/08/599188608.db2.gz HHFCNERRZLUSPS-CQSZACIVSA-N -1 3 368.397 3.146 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@@H]1c1ccc(C)o1 ZINC000737061961 599188611 /nfs/dbraw/zinc/18/86/11/599188611.db2.gz HHFCNERRZLUSPS-CQSZACIVSA-N -1 3 368.397 3.146 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)NC1(c2nccs2)CCCC1 ZINC000738167707 599189060 /nfs/dbraw/zinc/18/90/60/599189060.db2.gz RKOCJGQQJFEQDT-UHFFFAOYSA-N -1 3 373.417 3.053 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)NC1(c2nccs2)CCCC1 ZINC000738167707 599189062 /nfs/dbraw/zinc/18/90/62/599189062.db2.gz RKOCJGQQJFEQDT-UHFFFAOYSA-N -1 3 373.417 3.053 20 0 FGADHM C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000820664522 599189971 /nfs/dbraw/zinc/18/99/71/599189971.db2.gz BESNGYJCTLQVIO-SJCJKPOMSA-N -1 3 351.385 3.229 20 0 FGADHM C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000820664522 599189974 /nfs/dbraw/zinc/18/99/74/599189974.db2.gz BESNGYJCTLQVIO-SJCJKPOMSA-N -1 3 351.385 3.229 20 0 FGADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCC(C2CCCC2)CC1 ZINC000820519103 599192716 /nfs/dbraw/zinc/19/27/16/599192716.db2.gz PHNWCCHKFAIYIF-CQSZACIVSA-N -1 3 369.469 3.063 20 0 FGADHM Cc1ccc(N2CCCC2)c(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000737353782 599195295 /nfs/dbraw/zinc/19/52/95/599195295.db2.gz XBXMJKLMKCOYPZ-UHFFFAOYSA-N -1 3 366.400 3.167 20 0 FGADHM Cc1ccc(N2CCCC2)c(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000737353782 599195300 /nfs/dbraw/zinc/19/53/00/599195300.db2.gz XBXMJKLMKCOYPZ-UHFFFAOYSA-N -1 3 366.400 3.167 20 0 FGADHM COc1ccc(CN(C)c2cccc(Cl)c2-c2nnn[n-]2)cc1OC ZINC000821794474 599199492 /nfs/dbraw/zinc/19/94/92/599199492.db2.gz IKNQPTTYGZEZFS-UHFFFAOYSA-N -1 3 359.817 3.174 20 0 FGADHM COc1ccc(CN(C)c2cccc(Cl)c2-c2nn[n-]n2)cc1OC ZINC000821794474 599199493 /nfs/dbraw/zinc/19/94/93/599199493.db2.gz IKNQPTTYGZEZFS-UHFFFAOYSA-N -1 3 359.817 3.174 20 0 FGADHM O=C(c1sccc1-c1nnn[n-]1)N1CC[C@@H](CSc2ccccc2)C1 ZINC000823498341 599200113 /nfs/dbraw/zinc/20/01/13/599200113.db2.gz LPPYEWXVFWKWMD-GFCCVEGCSA-N -1 3 371.491 3.183 20 0 FGADHM O=C(c1sccc1-c1nn[n-]n1)N1CC[C@@H](CSc2ccccc2)C1 ZINC000823498341 599200114 /nfs/dbraw/zinc/20/01/14/599200114.db2.gz LPPYEWXVFWKWMD-GFCCVEGCSA-N -1 3 371.491 3.183 20 0 FGADHM O=C(c1ccc(-c2nnn[n-]2)cc1)N1CC[C@@H](CSc2ccccc2)C1 ZINC000823478397 599200467 /nfs/dbraw/zinc/20/04/67/599200467.db2.gz KFFULFYXMZSAGH-CQSZACIVSA-N -1 3 365.462 3.121 20 0 FGADHM O=C(c1ccc(-c2nn[n-]n2)cc1)N1CC[C@@H](CSc2ccccc2)C1 ZINC000823478397 599200469 /nfs/dbraw/zinc/20/04/69/599200469.db2.gz KFFULFYXMZSAGH-CQSZACIVSA-N -1 3 365.462 3.121 20 0 FGADHM CCOCC(=O)N(Cc1ccc(Cl)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000736610344 599209578 /nfs/dbraw/zinc/20/95/78/599209578.db2.gz XCXSSDNFRQHPSM-UHFFFAOYSA-N -1 3 371.828 3.090 20 0 FGADHM CCOCC(=O)N(Cc1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000736610344 599209581 /nfs/dbraw/zinc/20/95/81/599209581.db2.gz XCXSSDNFRQHPSM-UHFFFAOYSA-N -1 3 371.828 3.090 20 0 FGADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCC[C@H]2CCC[C@@H]21 ZINC000735735696 599223625 /nfs/dbraw/zinc/22/36/25/599223625.db2.gz UEDSQZATCJMMRV-HFTRVMKXSA-N -1 3 369.469 3.061 20 0 FGADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCC[C@H]2CCC[C@@H]21 ZINC000735735696 599223626 /nfs/dbraw/zinc/22/36/26/599223626.db2.gz UEDSQZATCJMMRV-HFTRVMKXSA-N -1 3 369.469 3.061 20 0 FGADHM CC(C)Oc1ccc(OC(=O)CCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735914736 599223702 /nfs/dbraw/zinc/22/37/02/599223702.db2.gz ZGJJXVPUMQTYSD-UHFFFAOYSA-N -1 3 352.394 3.192 20 0 FGADHM CC(C)Oc1ccc(OC(=O)CCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735914736 599223704 /nfs/dbraw/zinc/22/37/04/599223704.db2.gz ZGJJXVPUMQTYSD-UHFFFAOYSA-N -1 3 352.394 3.192 20 0 FGADHM c1cc(CCSCCOc2ccc(-c3nn[n-]n3)cc2)cc2c1OCC2 ZINC000823766632 599225058 /nfs/dbraw/zinc/22/50/58/599225058.db2.gz GRGOHYQIHWZULY-UHFFFAOYSA-N -1 3 368.462 3.156 20 0 FGADHM CN(C(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1)C1CCC1 ZINC000736741986 599229570 /nfs/dbraw/zinc/22/95/70/599229570.db2.gz KCOKQQZJSSCVTA-UHFFFAOYSA-N -1 3 363.421 3.070 20 0 FGADHM CN(C(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1)C1CCC1 ZINC000736741986 599229572 /nfs/dbraw/zinc/22/95/72/599229572.db2.gz KCOKQQZJSSCVTA-UHFFFAOYSA-N -1 3 363.421 3.070 20 0 FGADHM S=C(Nc1ccccc1-c1nnn[n-]1)N1CCC(C2CCCC2)CC1 ZINC000823733032 599229989 /nfs/dbraw/zinc/22/99/89/599229989.db2.gz SAZAVJFMWIDVOV-UHFFFAOYSA-N -1 3 356.499 3.466 20 0 FGADHM S=C(Nc1ccccc1-c1nn[n-]n1)N1CCC(C2CCCC2)CC1 ZINC000823733032 599229991 /nfs/dbraw/zinc/22/99/91/599229991.db2.gz SAZAVJFMWIDVOV-UHFFFAOYSA-N -1 3 356.499 3.466 20 0 FGADHM CC(C)(C)c1ccccc1NC(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000819957600 607261797 /nfs/dbraw/zinc/26/17/97/607261797.db2.gz BMWOKFXUVMLNJV-UHFFFAOYSA-N -1 3 356.817 3.465 20 0 FGADHM CC(C)(C)c1ccccc1NC(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000819957600 607261798 /nfs/dbraw/zinc/26/17/98/607261798.db2.gz BMWOKFXUVMLNJV-UHFFFAOYSA-N -1 3 356.817 3.465 20 0 FGADHM FC(F)CN(Cc1ccccc1)C(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000822729140 599231953 /nfs/dbraw/zinc/23/19/53/599231953.db2.gz UITOKAMHIOQHSE-UHFFFAOYSA-N -1 3 374.420 3.331 20 0 FGADHM FC(F)CN(Cc1ccccc1)C(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000822729140 599231957 /nfs/dbraw/zinc/23/19/57/599231957.db2.gz UITOKAMHIOQHSE-UHFFFAOYSA-N -1 3 374.420 3.331 20 0 FGADHM Cc1cc(C)cc(NC(=S)NCc2cc(-c3nnn[n-]3)ccc2F)c1 ZINC000822196694 599229150 /nfs/dbraw/zinc/22/91/50/599229150.db2.gz SXHNVMSLDZGZOI-UHFFFAOYSA-N -1 3 356.430 3.109 20 0 FGADHM Cc1cc(C)cc(NC(=S)NCc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC000822196694 599229152 /nfs/dbraw/zinc/22/91/52/599229152.db2.gz SXHNVMSLDZGZOI-UHFFFAOYSA-N -1 3 356.430 3.109 20 0 FGADHM Cc1c(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)cccc1-c1nnn[n-]1 ZINC000822061495 607266368 /nfs/dbraw/zinc/26/63/68/607266368.db2.gz ODMOGXGHTXRQSK-CHWSQXEVSA-N -1 3 355.348 3.196 20 0 FGADHM Cc1c(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)cccc1-c1nn[n-]n1 ZINC000822061495 607266369 /nfs/dbraw/zinc/26/63/69/607266369.db2.gz ODMOGXGHTXRQSK-CHWSQXEVSA-N -1 3 355.348 3.196 20 0 FGADHM C[C@H](NC(=S)Nc1ccc2c(c1)CCC2)c1cccc(-c2nnn[n-]2)c1 ZINC000820404524 599238610 /nfs/dbraw/zinc/23/86/10/599238610.db2.gz XBNRGGAOLCQGFI-LBPRGKRZSA-N -1 3 364.478 3.403 20 0 FGADHM C[C@H](NC(=S)Nc1ccc2c(c1)CCC2)c1cccc(-c2nn[n-]n2)c1 ZINC000820404524 599238612 /nfs/dbraw/zinc/23/86/12/599238612.db2.gz XBNRGGAOLCQGFI-LBPRGKRZSA-N -1 3 364.478 3.403 20 0 FGADHM Cc1c(NC(=O)CCCOc2ccccc2F)cccc1-c1nnn[n-]1 ZINC000822067985 607269611 /nfs/dbraw/zinc/26/96/11/607269611.db2.gz MDVBRSIJRJMRPR-UHFFFAOYSA-N -1 3 355.373 3.112 20 0 FGADHM Cc1c(NC(=O)CCCOc2ccccc2F)cccc1-c1nn[n-]n1 ZINC000822067985 607269612 /nfs/dbraw/zinc/26/96/12/607269612.db2.gz MDVBRSIJRJMRPR-UHFFFAOYSA-N -1 3 355.373 3.112 20 0 FGADHM Cc1cccc(CN(CCN(C)C)C(=O)Nc2cccc(CC(=O)[O-])c2)c1 ZINC000738307687 597201574 /nfs/dbraw/zinc/20/15/74/597201574.db2.gz INLRDJRJWWHMTF-UHFFFAOYSA-N -1 3 369.465 3.218 20 0 FGADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)C[C@@H]2CCOc3ccccc32)s1 ZINC000736679572 599248954 /nfs/dbraw/zinc/24/89/54/599248954.db2.gz XJRRMECZNUURSM-NSHDSACASA-N -1 3 369.450 3.386 20 0 FGADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)C[C@@H]2CCOc3ccccc32)s1 ZINC000736679572 599248955 /nfs/dbraw/zinc/24/89/55/599248955.db2.gz XJRRMECZNUURSM-NSHDSACASA-N -1 3 369.450 3.386 20 0 FGADHM CN(Cc1ccc(F)cc1)c1c(-c2nnn[n-]2)cnc2c(F)ccc(F)c21 ZINC000736819401 599254083 /nfs/dbraw/zinc/25/40/83/599254083.db2.gz LESVHCROMOMHPZ-UHFFFAOYSA-N -1 3 370.338 3.469 20 0 FGADHM CN(Cc1ccc(F)cc1)c1c(-c2nn[n-]n2)cnc2c(F)ccc(F)c21 ZINC000736819401 599254086 /nfs/dbraw/zinc/25/40/86/599254086.db2.gz LESVHCROMOMHPZ-UHFFFAOYSA-N -1 3 370.338 3.469 20 0 FGADHM Cc1c(NC(=O)N(C)CCCOc2ccccc2)cccc1-c1nnn[n-]1 ZINC000822077128 607284501 /nfs/dbraw/zinc/28/45/01/607284501.db2.gz UEEQXTCFPFBXCT-UHFFFAOYSA-N -1 3 366.425 3.108 20 0 FGADHM Cc1c(NC(=O)N(C)CCCOc2ccccc2)cccc1-c1nn[n-]n1 ZINC000822077128 607284502 /nfs/dbraw/zinc/28/45/02/607284502.db2.gz UEEQXTCFPFBXCT-UHFFFAOYSA-N -1 3 366.425 3.108 20 0 FGADHM CCCN(CCc1ccccn1)C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821100205 607284522 /nfs/dbraw/zinc/28/45/22/607284522.db2.gz VXILEKAYUOHZLX-UHFFFAOYSA-N -1 3 365.441 3.057 20 0 FGADHM CCCN(CCc1ccccn1)C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821100205 607284523 /nfs/dbraw/zinc/28/45/23/607284523.db2.gz VXILEKAYUOHZLX-UHFFFAOYSA-N -1 3 365.441 3.057 20 0 FGADHM CC(C)c1nnc(NCCSCc2ccccc2-c2nnn[n-]2)s1 ZINC000820211550 607302581 /nfs/dbraw/zinc/30/25/81/607302581.db2.gz RSBWELIJCXTWAC-UHFFFAOYSA-N -1 3 361.500 3.187 20 0 FGADHM CC(C)c1nnc(NCCSCc2ccccc2-c2nn[n-]n2)s1 ZINC000820211550 607302582 /nfs/dbraw/zinc/30/25/82/607302582.db2.gz RSBWELIJCXTWAC-UHFFFAOYSA-N -1 3 361.500 3.187 20 0 FGADHM CCS[C@H]1CC[C@@H](N(C)C(=O)Nc2cccc(-c3nnn[n-]3)c2C)C1 ZINC000821450005 607289838 /nfs/dbraw/zinc/28/98/38/607289838.db2.gz ZNZFJEVEAQENAZ-OLZOCXBDSA-N -1 3 360.487 3.313 20 0 FGADHM CCS[C@H]1CC[C@@H](N(C)C(=O)Nc2cccc(-c3nn[n-]n3)c2C)C1 ZINC000821450005 607289839 /nfs/dbraw/zinc/28/98/39/607289839.db2.gz ZNZFJEVEAQENAZ-OLZOCXBDSA-N -1 3 360.487 3.313 20 0 FGADHM C[C@H](NC(=O)N1Cc2ccccc2C[C@H]1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820351292 599262094 /nfs/dbraw/zinc/26/20/94/599262094.db2.gz OESILDJRTLIGBQ-KGLIPLIRSA-N -1 3 362.437 3.084 20 0 FGADHM C[C@H](NC(=O)N1Cc2ccccc2C[C@H]1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820351292 599262097 /nfs/dbraw/zinc/26/20/97/599262097.db2.gz OESILDJRTLIGBQ-KGLIPLIRSA-N -1 3 362.437 3.084 20 0 FGADHM Cc1cccc(OCCCNc2c(-c3nnn[n-]3)cnc3ccccc32)c1 ZINC000737411739 599262338 /nfs/dbraw/zinc/26/23/38/599262338.db2.gz OPJLRCPATYQKAC-UHFFFAOYSA-N -1 3 360.421 3.026 20 0 FGADHM Cc1cccc(OCCCNc2c(-c3nn[n-]n3)cnc3ccccc32)c1 ZINC000737411739 599262339 /nfs/dbraw/zinc/26/23/39/599262339.db2.gz OPJLRCPATYQKAC-UHFFFAOYSA-N -1 3 360.421 3.026 20 0 FGADHM Cc1c(NC(=O)NCC2(c3ccc(F)cc3)CC2)cccc1-c1nnn[n-]1 ZINC000822096996 607290863 /nfs/dbraw/zinc/29/08/63/607290863.db2.gz RWYXUFIBTHAGJX-UHFFFAOYSA-N -1 3 366.400 3.168 20 0 FGADHM Cc1c(NC(=O)NCC2(c3ccc(F)cc3)CC2)cccc1-c1nn[n-]n1 ZINC000822096996 607290864 /nfs/dbraw/zinc/29/08/64/607290864.db2.gz RWYXUFIBTHAGJX-UHFFFAOYSA-N -1 3 366.400 3.168 20 0 FGADHM Cc1ccccc1OCCCNC(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000822366877 607291366 /nfs/dbraw/zinc/29/13/66/607291366.db2.gz WMVIXHPKRDFIAB-UHFFFAOYSA-N -1 3 366.425 3.074 20 0 FGADHM Cc1ccccc1OCCCNC(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000822366877 607291367 /nfs/dbraw/zinc/29/13/67/607291367.db2.gz WMVIXHPKRDFIAB-UHFFFAOYSA-N -1 3 366.425 3.074 20 0 FGADHM Cc1c(NC(=O)c2cc(-c3cccc(F)c3)no2)cccc1-c1nnn[n-]1 ZINC000822103429 607296508 /nfs/dbraw/zinc/29/65/08/607296508.db2.gz GJJRZWQCSJUGSJ-UHFFFAOYSA-N -1 3 364.340 3.222 20 0 FGADHM Cc1c(NC(=O)c2cc(-c3cccc(F)c3)no2)cccc1-c1nn[n-]n1 ZINC000822103429 607296509 /nfs/dbraw/zinc/29/65/09/607296509.db2.gz GJJRZWQCSJUGSJ-UHFFFAOYSA-N -1 3 364.340 3.222 20 0 FGADHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NC(C1CCCC1)C1CCCC1 ZINC000737921782 599260544 /nfs/dbraw/zinc/26/05/44/599260544.db2.gz XTNCMRBOSCDSSI-UHFFFAOYSA-N -1 3 369.469 3.111 20 0 FGADHM O=C(Nc1ccc(NCc2ccc(-c3nnn[n-]3)s2)cc1)c1ccco1 ZINC000823350475 607309307 /nfs/dbraw/zinc/30/93/07/607309307.db2.gz OJFHNQDKABWJIO-UHFFFAOYSA-N -1 3 366.406 3.386 20 0 FGADHM O=C1CCCN1c1ccc(NCc2ccc(-c3nnn[n-]3)s2)cc1Cl ZINC000823530904 607309364 /nfs/dbraw/zinc/30/93/64/607309364.db2.gz USRKDPMHTDYYPA-UHFFFAOYSA-N -1 3 374.857 3.321 20 0 FGADHM O=C(Nc1cccc(NCc2cc(-c3nnn[n-]3)cs2)c1)c1ccoc1 ZINC000823367690 607315103 /nfs/dbraw/zinc/31/51/03/607315103.db2.gz NGCZIQSIMGTMAF-UHFFFAOYSA-N -1 3 366.406 3.386 20 0 FGADHM O=C(Nc1cccc(NCc2cc(-c3nn[n-]n3)cs2)c1)c1ccoc1 ZINC000823367690 607315104 /nfs/dbraw/zinc/31/51/04/607315104.db2.gz NGCZIQSIMGTMAF-UHFFFAOYSA-N -1 3 366.406 3.386 20 0 FGADHM O=C(Nc1cccc(NCc2ccc(-c3nnn[n-]3)s2)c1)c1ccoc1 ZINC000823368004 607315163 /nfs/dbraw/zinc/31/51/63/607315163.db2.gz QUEXOHYYIRVRFV-UHFFFAOYSA-N -1 3 366.406 3.386 20 0 FGADHM O=C(Nc1cccc(NCc2cccc(-c3nnn[n-]3)c2)c1)c1ccoc1 ZINC000823368487 607315217 /nfs/dbraw/zinc/31/52/17/607315217.db2.gz YHFCNWFGHPADPT-UHFFFAOYSA-N -1 3 360.377 3.324 20 0 FGADHM O=C(Nc1cccc(NCc2cccc(-c3nn[n-]n3)c2)c1)c1ccoc1 ZINC000823368487 607315218 /nfs/dbraw/zinc/31/52/18/607315218.db2.gz YHFCNWFGHPADPT-UHFFFAOYSA-N -1 3 360.377 3.324 20 0 FGADHM CSCCc1ccc(NCc2cnc3ccc(-c4nnn[n-]4)cn23)cc1 ZINC000821970698 607316099 /nfs/dbraw/zinc/31/60/99/607316099.db2.gz RDVZEBDSNGVLCZ-UHFFFAOYSA-N -1 3 365.466 3.032 20 0 FGADHM CSCCc1ccc(NCc2cnc3ccc(-c4nn[n-]n4)cn23)cc1 ZINC000821970698 607316100 /nfs/dbraw/zinc/31/61/00/607316100.db2.gz RDVZEBDSNGVLCZ-UHFFFAOYSA-N -1 3 365.466 3.032 20 0 FGADHM C[C@@H](NC(=O)N[C@H]1CSc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000736115414 599275424 /nfs/dbraw/zinc/27/54/24/599275424.db2.gz XTVBLELETVAYHK-ABAIWWIYSA-N -1 3 366.450 3.074 20 0 FGADHM C[C@@H](NC(=O)N[C@H]1CSc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000736115414 599275426 /nfs/dbraw/zinc/27/54/26/599275426.db2.gz XTVBLELETVAYHK-ABAIWWIYSA-N -1 3 366.450 3.074 20 0 FGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)NC(C1CCCC1)C1CCCC1 ZINC000738100658 599277033 /nfs/dbraw/zinc/27/70/33/599277033.db2.gz CRBBVSREPGWPRQ-UHFFFAOYSA-N -1 3 368.485 3.415 20 0 FGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)NC(C1CCCC1)C1CCCC1 ZINC000738100658 599277035 /nfs/dbraw/zinc/27/70/35/599277035.db2.gz CRBBVSREPGWPRQ-UHFFFAOYSA-N -1 3 368.485 3.415 20 0 FGADHM CCC(CC)NC(=O)[C@H](C)Sc1ccc(-c2nnn[n-]2)cc1Cl ZINC000825106871 607844594 /nfs/dbraw/zinc/84/45/94/607844594.db2.gz KQYCVLPKHDOMSB-VIFPVBQESA-N -1 3 353.879 3.306 20 0 FGADHM CCC(CC)NC(=O)[C@H](C)Sc1ccc(-c2nn[n-]n2)cc1Cl ZINC000825106871 607844595 /nfs/dbraw/zinc/84/45/95/607844595.db2.gz KQYCVLPKHDOMSB-VIFPVBQESA-N -1 3 353.879 3.306 20 0 FGADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H]1CCCc2sccc21 ZINC000821612422 607348052 /nfs/dbraw/zinc/34/80/52/607348052.db2.gz UVSNBFQVPGLQBQ-HNNXBMFYSA-N -1 3 353.451 3.007 20 0 FGADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H]1CCCc2sccc21 ZINC000821612422 607348053 /nfs/dbraw/zinc/34/80/53/607348053.db2.gz UVSNBFQVPGLQBQ-HNNXBMFYSA-N -1 3 353.451 3.007 20 0 FGADHM CC[C@H](C)NC(=O)c1ccc(Nc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000736327719 598240327 /nfs/dbraw/zinc/24/03/27/598240327.db2.gz SZZPAUGRPZZROV-NSHDSACASA-N -1 3 354.389 3.278 20 0 FGADHM CC[C@H](C)NC(=O)c1ccc(Nc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000736327719 598240329 /nfs/dbraw/zinc/24/03/29/598240329.db2.gz SZZPAUGRPZZROV-NSHDSACASA-N -1 3 354.389 3.278 20 0 FGADHM C[C@@H](NC(=O)NC1(c2ccc(F)cc2)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736113508 598262880 /nfs/dbraw/zinc/26/28/80/598262880.db2.gz OUVVMXCAHLHACN-GFCCVEGCSA-N -1 3 366.400 3.055 20 0 FGADHM C[C@@H](NC(=O)NC1(c2ccc(F)cc2)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736113508 598262883 /nfs/dbraw/zinc/26/28/83/598262883.db2.gz OUVVMXCAHLHACN-GFCCVEGCSA-N -1 3 366.400 3.055 20 0 FGADHM Clc1cc(NCc2ccc(Cn3cccn3)cc2)ccc1-c1nnn[n-]1 ZINC000737563060 598275555 /nfs/dbraw/zinc/27/55/55/598275555.db2.gz DXYOGPHXVZLFJT-UHFFFAOYSA-N -1 3 365.828 3.377 20 0 FGADHM Clc1cc(NCc2ccc(Cn3cccn3)cc2)ccc1-c1nn[n-]n1 ZINC000737563060 598275556 /nfs/dbraw/zinc/27/55/56/598275556.db2.gz DXYOGPHXVZLFJT-UHFFFAOYSA-N -1 3 365.828 3.377 20 0 FGADHM COc1ccc(NC(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)cc1 ZINC000737103935 598276706 /nfs/dbraw/zinc/27/67/06/598276706.db2.gz LQFUWMJRXBRVFS-UHFFFAOYSA-N -1 3 355.402 3.076 20 0 FGADHM COc1ccc(NC(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)cc1 ZINC000737103935 598276707 /nfs/dbraw/zinc/27/67/07/598276707.db2.gz LQFUWMJRXBRVFS-UHFFFAOYSA-N -1 3 355.402 3.076 20 0 FGADHM COc1ccc(CCCC(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000737089131 598279043 /nfs/dbraw/zinc/27/90/43/598279043.db2.gz PSQKHGFQZPACJA-UHFFFAOYSA-N -1 3 369.400 3.000 20 0 FGADHM COc1ccc(CCCC(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000737089131 598279044 /nfs/dbraw/zinc/27/90/44/598279044.db2.gz PSQKHGFQZPACJA-UHFFFAOYSA-N -1 3 369.400 3.000 20 0 FGADHM C[C@H](CC(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F)c1ccc(F)cc1 ZINC000735976637 598279493 /nfs/dbraw/zinc/27/94/93/598279493.db2.gz SRPNKALXYMTVRX-LLVKDONJSA-N -1 3 357.364 3.302 20 0 FGADHM C[C@H](CC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F)c1ccc(F)cc1 ZINC000735976637 598279495 /nfs/dbraw/zinc/27/94/95/598279495.db2.gz SRPNKALXYMTVRX-LLVKDONJSA-N -1 3 357.364 3.302 20 0 FGADHM C[C@H](c1ccc(Cl)cc1)S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736201281 598289850 /nfs/dbraw/zinc/28/98/50/598289850.db2.gz WOVPXOVYHDASOQ-LLVKDONJSA-N -1 3 362.842 3.196 20 0 FGADHM C[C@H](c1ccc(Cl)cc1)S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736201281 598289852 /nfs/dbraw/zinc/28/98/52/598289852.db2.gz WOVPXOVYHDASOQ-LLVKDONJSA-N -1 3 362.842 3.196 20 0 FGADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H]1CCCc2sccc21 ZINC000821608722 607347792 /nfs/dbraw/zinc/34/77/92/607347792.db2.gz RWJDXNSWIFARGC-OAHLLOKOSA-N -1 3 353.451 3.007 20 0 FGADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@H]1CCCc2sccc21 ZINC000821608722 607347794 /nfs/dbraw/zinc/34/77/94/607347794.db2.gz RWJDXNSWIFARGC-OAHLLOKOSA-N -1 3 353.451 3.007 20 0 FGADHM CN(C(=O)CCSc1ccccc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000736733250 598310336 /nfs/dbraw/zinc/31/03/36/598310336.db2.gz QOCCCQPGUGHQQJ-UHFFFAOYSA-N -1 3 357.414 3.151 20 0 FGADHM CN(C(=O)CCSc1ccccc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736733250 598310338 /nfs/dbraw/zinc/31/03/38/598310338.db2.gz QOCCCQPGUGHQQJ-UHFFFAOYSA-N -1 3 357.414 3.151 20 0 FGADHM CCCOc1ccccc1NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000736492301 598321638 /nfs/dbraw/zinc/32/16/38/598321638.db2.gz IXPVOJAPLLQHKD-UHFFFAOYSA-N -1 3 370.388 3.116 20 0 FGADHM CCCOc1ccccc1NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000736492301 598321640 /nfs/dbraw/zinc/32/16/40/598321640.db2.gz IXPVOJAPLLQHKD-UHFFFAOYSA-N -1 3 370.388 3.116 20 0 FGADHM O=C(c1occc1COc1cccc(-c2nnn[n-]2)c1)N1CCCCCC1 ZINC000738291328 598324731 /nfs/dbraw/zinc/32/47/31/598324731.db2.gz FRSOFUMDSKKWSX-UHFFFAOYSA-N -1 3 367.409 3.055 20 0 FGADHM O=C(c1occc1COc1cccc(-c2nn[n-]n2)c1)N1CCCCCC1 ZINC000738291328 598324733 /nfs/dbraw/zinc/32/47/33/598324733.db2.gz FRSOFUMDSKKWSX-UHFFFAOYSA-N -1 3 367.409 3.055 20 0 FGADHM CC[C@H](NC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000736370138 598327392 /nfs/dbraw/zinc/32/73/92/598327392.db2.gz MHAAQVPNCSQTEU-INIZCTEOSA-N -1 3 369.425 3.203 20 0 FGADHM CC[C@H](NC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000736370138 598327393 /nfs/dbraw/zinc/32/73/93/598327393.db2.gz MHAAQVPNCSQTEU-INIZCTEOSA-N -1 3 369.425 3.203 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H]1CCCc2sccc21 ZINC000821401296 607350681 /nfs/dbraw/zinc/35/06/81/607350681.db2.gz VDQVJEBVUFHWBE-CYBMUJFWSA-N -1 3 369.450 3.386 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1CCCc2sccc21 ZINC000821401296 607350682 /nfs/dbraw/zinc/35/06/82/607350682.db2.gz VDQVJEBVUFHWBE-CYBMUJFWSA-N -1 3 369.450 3.386 20 0 FGADHM CC(C)(C)c1ccccc1C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000819958721 607351942 /nfs/dbraw/zinc/35/19/42/607351942.db2.gz OYGQVVGUDMWSBB-UHFFFAOYSA-N -1 3 353.401 3.233 20 0 FGADHM CC(C)(C)c1ccccc1C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000819958721 607351944 /nfs/dbraw/zinc/35/19/44/607351944.db2.gz OYGQVVGUDMWSBB-UHFFFAOYSA-N -1 3 353.401 3.233 20 0 FGADHM Cc1oc(NC(=O)CN2CCC3(CCCCC3)CC2)c(-c2nnn[n-]2)c1C ZINC000737551069 598355313 /nfs/dbraw/zinc/35/53/13/598355313.db2.gz DOMHOZUPVKVQPC-UHFFFAOYSA-N -1 3 372.473 3.061 20 0 FGADHM CC(C)Oc1ccccc1C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000735912420 598359072 /nfs/dbraw/zinc/35/90/72/598359072.db2.gz CDLWVAKAXNEETP-ZDUSSCGKSA-N -1 3 351.410 3.145 20 0 FGADHM CC(C)Oc1ccccc1C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000735912420 598359074 /nfs/dbraw/zinc/35/90/74/598359074.db2.gz CDLWVAKAXNEETP-ZDUSSCGKSA-N -1 3 351.410 3.145 20 0 FGADHM COc1ccc(NC(=S)NCc2cccc(-c3nnn[n-]3)c2)cc1Cl ZINC000737102877 598378700 /nfs/dbraw/zinc/37/87/00/598378700.db2.gz DKBZSMMHZOCQEF-UHFFFAOYSA-N -1 3 374.857 3.015 20 0 FGADHM COc1ccc(NC(=S)NCc2cccc(-c3nn[n-]n3)c2)cc1Cl ZINC000737102877 598378701 /nfs/dbraw/zinc/37/87/01/598378701.db2.gz DKBZSMMHZOCQEF-UHFFFAOYSA-N -1 3 374.857 3.015 20 0 FGADHM Cc1cccc(C2(CNC(=O)c3cccc(-c4nnn[n-]4)c3)CCCC2)c1 ZINC000737390185 598381589 /nfs/dbraw/zinc/38/15/89/598381589.db2.gz RSSRWJUOFQZJFU-UHFFFAOYSA-N -1 3 361.449 3.417 20 0 FGADHM Cc1cccc(C2(CNC(=O)c3cccc(-c4nn[n-]n4)c3)CCCC2)c1 ZINC000737390185 598381590 /nfs/dbraw/zinc/38/15/90/598381590.db2.gz RSSRWJUOFQZJFU-UHFFFAOYSA-N -1 3 361.449 3.417 20 0 FGADHM Clc1cc(-c2nnn[n-]2)cnc1NCc1coc(-c2cccs2)n1 ZINC000737558662 598388129 /nfs/dbraw/zinc/38/81/29/598388129.db2.gz PWPCUKSLGSOGNK-UHFFFAOYSA-N -1 3 359.802 3.244 20 0 FGADHM Clc1cc(-c2nn[n-]n2)cnc1NCc1coc(-c2cccs2)n1 ZINC000737558662 598388131 /nfs/dbraw/zinc/38/81/31/598388131.db2.gz PWPCUKSLGSOGNK-UHFFFAOYSA-N -1 3 359.802 3.244 20 0 FGADHM Clc1cc(-c2nnn[n-]2)cnc1NC[C@H]1CCCO[C@H]1c1ccccc1 ZINC000737557472 598392743 /nfs/dbraw/zinc/39/27/43/598392743.db2.gz FFTJXXWNFCLYMW-CJNGLKHVSA-N -1 3 370.844 3.495 20 0 FGADHM Clc1cc(-c2nn[n-]n2)cnc1NC[C@H]1CCCO[C@H]1c1ccccc1 ZINC000737557472 598392745 /nfs/dbraw/zinc/39/27/45/598392745.db2.gz FFTJXXWNFCLYMW-CJNGLKHVSA-N -1 3 370.844 3.495 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1OCC(=O)N[C@H](C)c1ccccc1Cl ZINC000737221865 598394650 /nfs/dbraw/zinc/39/46/50/598394650.db2.gz QIZLMNLJOMFICV-GFCCVEGCSA-N -1 3 371.828 3.085 20 0 FGADHM Cc1c(NC(=O)NCCc2cc3ccccc3[nH]2)cccc1-c1nnn[n-]1 ZINC000822097457 607356341 /nfs/dbraw/zinc/35/63/41/607356341.db2.gz YTBYNHLODPBJJW-UHFFFAOYSA-N -1 3 361.409 3.021 20 0 FGADHM Cc1c(NC(=O)NCCc2cc3ccccc3[nH]2)cccc1-c1nn[n-]n1 ZINC000822097457 607356343 /nfs/dbraw/zinc/35/63/43/607356343.db2.gz YTBYNHLODPBJJW-UHFFFAOYSA-N -1 3 361.409 3.021 20 0 FGADHM CCCCN(C)c1ccc(NC(=O)c2sccc2-c2nnn[n-]2)cc1 ZINC000736454032 598424597 /nfs/dbraw/zinc/42/45/97/598424597.db2.gz WVTATUJLOVTKGU-UHFFFAOYSA-N -1 3 356.455 3.417 20 0 FGADHM CCCCN(C)c1ccc(NC(=O)c2sccc2-c2nn[n-]n2)cc1 ZINC000736454032 598424598 /nfs/dbraw/zinc/42/45/98/598424598.db2.gz WVTATUJLOVTKGU-UHFFFAOYSA-N -1 3 356.455 3.417 20 0 FGADHM Cc1cc(C)cc([C@@H](C)NC(=O)NCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737253024 598430208 /nfs/dbraw/zinc/43/02/08/598430208.db2.gz NSIKLQAQNWYPGC-CQSZACIVSA-N -1 3 350.426 3.044 20 0 FGADHM Cc1cc(C)cc([C@@H](C)NC(=O)NCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737253024 598430210 /nfs/dbraw/zinc/43/02/10/598430210.db2.gz NSIKLQAQNWYPGC-CQSZACIVSA-N -1 3 350.426 3.044 20 0 FGADHM COc1ccccc1C[C@@H](C)CC(=O)OCc1cccc(-c2nnn[n-]2)c1 ZINC000737151882 598431889 /nfs/dbraw/zinc/43/18/89/598431889.db2.gz GOXZMDYPVMPQOB-CQSZACIVSA-N -1 3 366.421 3.187 20 0 FGADHM COc1ccccc1C[C@@H](C)CC(=O)OCc1cccc(-c2nn[n-]n2)c1 ZINC000737151882 598431890 /nfs/dbraw/zinc/43/18/90/598431890.db2.gz GOXZMDYPVMPQOB-CQSZACIVSA-N -1 3 366.421 3.187 20 0 FGADHM Fc1ccc(-c2nnn[n-]2)cc1CSc1nnc(Cc2cccs2)o1 ZINC000737652666 598440065 /nfs/dbraw/zinc/44/00/65/598440065.db2.gz XKODCXMLRDVBGI-UHFFFAOYSA-N -1 3 374.426 3.333 20 0 FGADHM Fc1ccc(-c2nn[n-]n2)cc1CSc1nnc(Cc2cccs2)o1 ZINC000737652666 598440067 /nfs/dbraw/zinc/44/00/67/598440067.db2.gz XKODCXMLRDVBGI-UHFFFAOYSA-N -1 3 374.426 3.333 20 0 FGADHM C[C@@H](c1ccc(Cl)cc1)N(C(=O)c1ccc(-c2nnn[n-]2)cn1)C1CC1 ZINC000736198426 598441937 /nfs/dbraw/zinc/44/19/37/598441937.db2.gz IDNGQXPTHGGAJX-NSHDSACASA-N -1 3 368.828 3.281 20 0 FGADHM C[C@@H](c1ccc(Cl)cc1)N(C(=O)c1ccc(-c2nn[n-]n2)cn1)C1CC1 ZINC000736198426 598441939 /nfs/dbraw/zinc/44/19/39/598441939.db2.gz IDNGQXPTHGGAJX-NSHDSACASA-N -1 3 368.828 3.281 20 0 FGADHM CCCCCCOCC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000736446668 598442252 /nfs/dbraw/zinc/44/22/52/598442252.db2.gz LFCADRKKUYWFCC-UHFFFAOYSA-N -1 3 359.474 3.201 20 0 FGADHM CCCCCCOCC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000736446668 598442254 /nfs/dbraw/zinc/44/22/54/598442254.db2.gz LFCADRKKUYWFCC-UHFFFAOYSA-N -1 3 359.474 3.201 20 0 FGADHM O=C(Nc1ccc2c(c1)oc1ccccc12)c1ccc(-c2nnn[n-]2)cn1 ZINC000738174035 598444799 /nfs/dbraw/zinc/44/47/99/598444799.db2.gz HWKUDNQBGVVRTA-UHFFFAOYSA-N -1 3 356.345 3.413 20 0 FGADHM O=C(Nc1ccc2c(c1)oc1ccccc12)c1ccc(-c2nn[n-]n2)cn1 ZINC000738174035 598444801 /nfs/dbraw/zinc/44/48/01/598444801.db2.gz HWKUDNQBGVVRTA-UHFFFAOYSA-N -1 3 356.345 3.413 20 0 FGADHM O=C(N[C@H](c1ccc(Cl)cc1)C1CCC1)c1ccc(-c2nnn[n-]2)cn1 ZINC000737995880 598454289 /nfs/dbraw/zinc/45/42/89/598454289.db2.gz FEKBJIIVGVXZTR-INIZCTEOSA-N -1 3 368.828 3.186 20 0 FGADHM O=C(N[C@H](c1ccc(Cl)cc1)C1CCC1)c1ccc(-c2nn[n-]n2)cn1 ZINC000737995880 598454292 /nfs/dbraw/zinc/45/42/92/598454292.db2.gz FEKBJIIVGVXZTR-INIZCTEOSA-N -1 3 368.828 3.186 20 0 FGADHM CC[C@](C)(NC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000736313253 598455082 /nfs/dbraw/zinc/45/50/82/598455082.db2.gz GWYWBQWPWUSXMI-VLIAUNLRSA-N -1 3 365.437 3.076 20 0 FGADHM FC(F)(F)c1cccc(C2(CNc3ncccc3-c3nnn[n-]3)CC2)c1 ZINC000737636456 598459587 /nfs/dbraw/zinc/45/95/87/598459587.db2.gz STCQCMSFKXEUBL-UHFFFAOYSA-N -1 3 360.343 3.424 20 0 FGADHM FC(F)(F)c1cccc(C2(CNc3ncccc3-c3nn[n-]n3)CC2)c1 ZINC000737636456 598459589 /nfs/dbraw/zinc/45/95/89/598459589.db2.gz STCQCMSFKXEUBL-UHFFFAOYSA-N -1 3 360.343 3.424 20 0 FGADHM Cc1cccc(CNC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)c1 ZINC000737394802 598478076 /nfs/dbraw/zinc/47/80/76/598478076.db2.gz XKDSUBMYAXSSSR-UHFFFAOYSA-N -1 3 362.437 3.049 20 0 FGADHM Cc1cccc(CNC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)c1 ZINC000737394802 598478077 /nfs/dbraw/zinc/47/80/77/598478077.db2.gz XKDSUBMYAXSSSR-UHFFFAOYSA-N -1 3 362.437 3.049 20 0 FGADHM CC1CCC(CNC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)CC1 ZINC000736239889 598479256 /nfs/dbraw/zinc/47/92/56/598479256.db2.gz YVLVAYZAWKFCPT-UHFFFAOYSA-N -1 3 368.485 3.367 20 0 FGADHM CC1CCC(CNC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)CC1 ZINC000736239889 598479257 /nfs/dbraw/zinc/47/92/57/598479257.db2.gz YVLVAYZAWKFCPT-UHFFFAOYSA-N -1 3 368.485 3.367 20 0 FGADHM C[C@@H]1CCCC[C@@H]1CNC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000736270971 598479447 /nfs/dbraw/zinc/47/94/47/598479447.db2.gz LCPRJFNPCCLHEA-RHSMWYFYSA-N -1 3 368.485 3.367 20 0 FGADHM C[C@@H]1CCCC[C@@H]1CNC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000736270971 598479449 /nfs/dbraw/zinc/47/94/49/598479449.db2.gz LCPRJFNPCCLHEA-RHSMWYFYSA-N -1 3 368.485 3.367 20 0 FGADHM CC(C)Oc1cccc(OC(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735912943 598485035 /nfs/dbraw/zinc/48/50/35/598485035.db2.gz KAWQYOPSUOYSFI-CYBMUJFWSA-N -1 3 368.393 3.027 20 0 FGADHM C[C@@H](OC(=O)c1cccc(OC(F)F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000736162068 598486445 /nfs/dbraw/zinc/48/64/45/598486445.db2.gz FZPZWSIWUFYKAN-SNVBAGLBSA-N -1 3 360.320 3.386 20 0 FGADHM C[C@@H](OC(=O)c1cccc(OC(F)F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000736162068 598486447 /nfs/dbraw/zinc/48/64/47/598486447.db2.gz FZPZWSIWUFYKAN-SNVBAGLBSA-N -1 3 360.320 3.386 20 0 FGADHM C[C@@H](Oc1ccccc1F)C(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000736191022 598486721 /nfs/dbraw/zinc/48/67/21/598486721.db2.gz VGVWROUYZVQJHG-VXGBXAGGSA-N -1 3 356.357 3.078 20 0 FGADHM C[C@@H](Oc1ccccc1F)C(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000736191022 598486723 /nfs/dbraw/zinc/48/67/23/598486723.db2.gz VGVWROUYZVQJHG-VXGBXAGGSA-N -1 3 356.357 3.078 20 0 FGADHM COc1ccccc1CCC(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000737150799 598489378 /nfs/dbraw/zinc/48/93/78/598489378.db2.gz VYBLSAIDIOUDBK-ZDUSSCGKSA-N -1 3 352.394 3.112 20 0 FGADHM COc1ccccc1CCC(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000737150799 598489379 /nfs/dbraw/zinc/48/93/79/598489379.db2.gz VYBLSAIDIOUDBK-ZDUSSCGKSA-N -1 3 352.394 3.112 20 0 FGADHM CSc1ccccc1C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000737191701 598489879 /nfs/dbraw/zinc/48/98/79/598489879.db2.gz QOVYWZNXFZKYSM-UHFFFAOYSA-N -1 3 356.455 3.397 20 0 FGADHM CSc1ccccc1C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000737191701 598489880 /nfs/dbraw/zinc/48/98/80/598489880.db2.gz QOVYWZNXFZKYSM-UHFFFAOYSA-N -1 3 356.455 3.397 20 0 FGADHM Cc1ncccc1C(=O)N(Cc1ccco1)c1ccccc1-c1nnn[n-]1 ZINC000737503765 598493739 /nfs/dbraw/zinc/49/37/39/598493739.db2.gz YRYASVIFFVQIML-UHFFFAOYSA-N -1 3 360.377 3.010 20 0 FGADHM Cc1ncccc1C(=O)N(Cc1ccco1)c1ccccc1-c1nn[n-]n1 ZINC000737503765 598493740 /nfs/dbraw/zinc/49/37/40/598493740.db2.gz YRYASVIFFVQIML-UHFFFAOYSA-N -1 3 360.377 3.010 20 0 FGADHM CCc1ccc([C@H](C)C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC)cc1 ZINC000736687485 598497829 /nfs/dbraw/zinc/49/78/29/598497829.db2.gz MTCYPZUVLFILOC-LBPRGKRZSA-N -1 3 351.410 3.180 20 0 FGADHM CCc1ccc([C@H](C)C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC)cc1 ZINC000736687485 598497831 /nfs/dbraw/zinc/49/78/31/598497831.db2.gz MTCYPZUVLFILOC-LBPRGKRZSA-N -1 3 351.410 3.180 20 0 FGADHM CCc1c(C)sc(NC(=O)[C@H](C)OCc2ccccc2)c1-c1nnn[n-]1 ZINC000736670797 598515972 /nfs/dbraw/zinc/51/59/72/598515972.db2.gz RZTCQZYPTVIDBF-NSHDSACASA-N -1 3 371.466 3.343 20 0 FGADHM CCc1c(C)sc(NC(=O)[C@H](C)OCc2ccccc2)c1-c1nn[n-]n1 ZINC000736670797 598515974 /nfs/dbraw/zinc/51/59/74/598515974.db2.gz RZTCQZYPTVIDBF-NSHDSACASA-N -1 3 371.466 3.343 20 0 FGADHM CCc1c(C)sc(NC(=O)CCc2ccccc2OC)c1-c1nnn[n-]1 ZINC000736671248 598516721 /nfs/dbraw/zinc/51/67/21/598516721.db2.gz VLHNPWJJCJUYME-UHFFFAOYSA-N -1 3 371.466 3.379 20 0 FGADHM CCc1c(C)sc(NC(=O)CCc2ccccc2OC)c1-c1nn[n-]n1 ZINC000736671248 598516722 /nfs/dbraw/zinc/51/67/22/598516722.db2.gz VLHNPWJJCJUYME-UHFFFAOYSA-N -1 3 371.466 3.379 20 0 FGADHM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)OCCc1ccccc1F ZINC000737936439 598517079 /nfs/dbraw/zinc/51/70/79/598517079.db2.gz QPMLQFTWEXPQGK-UHFFFAOYSA-N -1 3 372.425 3.025 20 0 FGADHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)OCCc1ccccc1F ZINC000737936439 598517081 /nfs/dbraw/zinc/51/70/81/598517081.db2.gz QPMLQFTWEXPQGK-UHFFFAOYSA-N -1 3 372.425 3.025 20 0 FGADHM CCc1c(C)sc(NC(=O)Cc2ccc3c(c2)CCC3)c1-c1nnn[n-]1 ZINC000736675226 598517374 /nfs/dbraw/zinc/51/73/74/598517374.db2.gz GZYFZSGNZGJKDM-UHFFFAOYSA-N -1 3 367.478 3.469 20 0 FGADHM CCc1c(C)sc(NC(=O)Cc2ccc3c(c2)CCC3)c1-c1nn[n-]n1 ZINC000736675226 598517376 /nfs/dbraw/zinc/51/73/76/598517376.db2.gz GZYFZSGNZGJKDM-UHFFFAOYSA-N -1 3 367.478 3.469 20 0 FGADHM CC[C@@H](c1nnc(Sc2ccc(-c3nnn[n-]3)cn2)o1)c1ccccc1 ZINC000736395849 598522823 /nfs/dbraw/zinc/52/28/23/598522823.db2.gz JNKOSIIZPIFREG-CYBMUJFWSA-N -1 3 365.422 3.338 20 0 FGADHM CC[C@@H](c1nnc(Sc2ccc(-c3nn[n-]n3)cn2)o1)c1ccccc1 ZINC000736395849 598522824 /nfs/dbraw/zinc/52/28/24/598522824.db2.gz JNKOSIIZPIFREG-CYBMUJFWSA-N -1 3 365.422 3.338 20 0 FGADHM O=C(NCCCCCc1ccccc1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000738054048 598527845 /nfs/dbraw/zinc/52/78/45/598527845.db2.gz KXXRLGZTXVUUGO-UHFFFAOYSA-N -1 3 350.426 3.401 20 0 FGADHM O=C(NCCCCCc1ccccc1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000738054048 598527847 /nfs/dbraw/zinc/52/78/47/598527847.db2.gz KXXRLGZTXVUUGO-UHFFFAOYSA-N -1 3 350.426 3.401 20 0 FGADHM CCCC[C@@H]1CCC[C@H]1NC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736442293 598528548 /nfs/dbraw/zinc/52/85/48/598528548.db2.gz WHRWBCCZRJWFIP-NVXWUHKLSA-N -1 3 356.474 3.367 20 0 FGADHM CCCC[C@@H]1CCC[C@H]1NC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736442293 598528550 /nfs/dbraw/zinc/52/85/50/598528550.db2.gz WHRWBCCZRJWFIP-NVXWUHKLSA-N -1 3 356.474 3.367 20 0 FGADHM O=C(COc1ccc(-c2nn[n-]n2)cc1)O[C@@H]1CCc2ccc(Cl)cc21 ZINC000737918780 598537832 /nfs/dbraw/zinc/53/78/32/598537832.db2.gz LBBUSCNHUDXLOR-MRXNPFEDSA-N -1 3 370.796 3.130 20 0 FGADHM Cc1ccc(NCc2ccc(-c3nnn[n-]3)cc2F)cc1C(=O)NC(C)C ZINC000737362794 598537879 /nfs/dbraw/zinc/53/78/79/598537879.db2.gz XCPFWKDMDMUXRO-UHFFFAOYSA-N -1 3 368.416 3.065 20 0 FGADHM Cc1ccc(NCc2ccc(-c3nn[n-]n3)cc2F)cc1C(=O)NC(C)C ZINC000737362794 598537881 /nfs/dbraw/zinc/53/78/81/598537881.db2.gz XCPFWKDMDMUXRO-UHFFFAOYSA-N -1 3 368.416 3.065 20 0 FGADHM O=C(Nc1cc(C(F)(F)F)ccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000738144737 598542885 /nfs/dbraw/zinc/54/28/85/598542885.db2.gz FAKWOJXMCMYDBI-UHFFFAOYSA-N -1 3 351.263 3.277 20 0 FGADHM O=C(Nc1cc(C(F)(F)F)ccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000738144737 598542887 /nfs/dbraw/zinc/54/28/87/598542887.db2.gz FAKWOJXMCMYDBI-UHFFFAOYSA-N -1 3 351.263 3.277 20 0 FGADHM O=C(Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(Cl)c1)C1CC1 ZINC000738171664 598542915 /nfs/dbraw/zinc/54/29/15/598542915.db2.gz ISIQBEMXMBPMLE-UHFFFAOYSA-N -1 3 369.812 3.448 20 0 FGADHM O=C(Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(Cl)c1)C1CC1 ZINC000738171664 598542917 /nfs/dbraw/zinc/54/29/17/598542917.db2.gz ISIQBEMXMBPMLE-UHFFFAOYSA-N -1 3 369.812 3.448 20 0 FGADHM CCc1ccc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)cc1 ZINC000736688655 598546568 /nfs/dbraw/zinc/54/65/68/598546568.db2.gz QDALGYDQNCBPIA-UHFFFAOYSA-N -1 3 359.336 3.283 20 0 FGADHM CCc1ccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)cc1 ZINC000736688655 598546569 /nfs/dbraw/zinc/54/65/69/598546569.db2.gz QDALGYDQNCBPIA-UHFFFAOYSA-N -1 3 359.336 3.283 20 0 FGADHM CC(C)c1cccc(NC(=O)COc2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC000735929015 598547521 /nfs/dbraw/zinc/54/75/21/598547521.db2.gz WCSIBZMOXYRHNA-UHFFFAOYSA-N -1 3 355.373 3.147 20 0 FGADHM CC(C)c1cccc(NC(=O)COc2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC000735929015 598547523 /nfs/dbraw/zinc/54/75/23/598547523.db2.gz WCSIBZMOXYRHNA-UHFFFAOYSA-N -1 3 355.373 3.147 20 0 FGADHM Cc1cc(OCc2cccc(-c3nnn[n-]3)c2)ccc1NC(=O)c1ccc[nH]1 ZINC000737279608 598550279 /nfs/dbraw/zinc/55/02/79/598550279.db2.gz KHYHFLOGNPICFH-UHFFFAOYSA-N -1 3 374.404 3.335 20 0 FGADHM Cc1cc(OCc2cccc(-c3nn[n-]n3)c2)ccc1NC(=O)c1ccc[nH]1 ZINC000737279608 598550281 /nfs/dbraw/zinc/55/02/81/598550281.db2.gz KHYHFLOGNPICFH-UHFFFAOYSA-N -1 3 374.404 3.335 20 0 FGADHM O=C(COc1ccc(-c2nnn[n-]2)c(F)c1)Nc1ccc2ccccc2c1 ZINC000737921983 598552699 /nfs/dbraw/zinc/55/26/99/598552699.db2.gz ZZJNQNPNHDHOBP-UHFFFAOYSA-N -1 3 363.352 3.177 20 0 FGADHM O=C(COc1ccc(-c2nn[n-]n2)c(F)c1)Nc1ccc2ccccc2c1 ZINC000737921983 598552701 /nfs/dbraw/zinc/55/27/01/598552701.db2.gz ZZJNQNPNHDHOBP-UHFFFAOYSA-N -1 3 363.352 3.177 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N(C)Cc1ccc(C)s1 ZINC000736636083 598558767 /nfs/dbraw/zinc/55/87/67/598558767.db2.gz JPTQYQMFUWEANM-UHFFFAOYSA-N -1 3 372.454 3.299 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N(C)Cc1ccc(C)s1 ZINC000736636083 598558770 /nfs/dbraw/zinc/55/87/70/598558770.db2.gz JPTQYQMFUWEANM-UHFFFAOYSA-N -1 3 372.454 3.299 20 0 FGADHM C[C@H](NC(=O)NCc1cccc(-c2nnn[n-]2)c1)C(C)(C)c1ccccc1 ZINC000736120125 598561402 /nfs/dbraw/zinc/56/14/02/598561402.db2.gz XHSSTZXCWLPQJN-AWEZNQCLSA-N -1 3 364.453 3.032 20 0 FGADHM C[C@H](NC(=O)NCc1cccc(-c2nn[n-]n2)c1)C(C)(C)c1ccccc1 ZINC000736120125 598561403 /nfs/dbraw/zinc/56/14/03/598561403.db2.gz XHSSTZXCWLPQJN-AWEZNQCLSA-N -1 3 364.453 3.032 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)c1cc(Cl)ccc1F ZINC000736626193 598565077 /nfs/dbraw/zinc/56/50/77/598565077.db2.gz FDGVBNRASLGYRF-UHFFFAOYSA-N -1 3 362.748 3.277 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)c1cc(Cl)ccc1F ZINC000736626193 598565079 /nfs/dbraw/zinc/56/50/79/598565079.db2.gz FDGVBNRASLGYRF-UHFFFAOYSA-N -1 3 362.748 3.277 20 0 FGADHM Cc1nc(SCC(=O)c2ccc(-c3nnn[n-]3)cc2)n(CC(C)C)c1C ZINC000737485054 598568929 /nfs/dbraw/zinc/56/89/29/598568929.db2.gz YRXVMLPRQRHMQG-UHFFFAOYSA-N -1 3 370.482 3.311 20 0 FGADHM Cc1nc(SCC(=O)c2ccc(-c3nn[n-]n3)cc2)n(CC(C)C)c1C ZINC000737485054 598568931 /nfs/dbraw/zinc/56/89/31/598568931.db2.gz YRXVMLPRQRHMQG-UHFFFAOYSA-N -1 3 370.482 3.311 20 0 FGADHM O=C(Nc1cccc(Cl)c1)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738183359 598571086 /nfs/dbraw/zinc/57/10/86/598571086.db2.gz MLMNVKWCQFUOID-INIZCTEOSA-N -1 3 368.828 3.128 20 0 FGADHM CC(C)c1cc(C(=O)Nc2ccccc2-c2nnn[n-]2)nn1C(C)(C)C ZINC000735923452 598573410 /nfs/dbraw/zinc/57/34/10/598573410.db2.gz UIGIVCIJNWCQNY-UHFFFAOYSA-N -1 3 353.430 3.194 20 0 FGADHM CC(C)c1cc(C(=O)Nc2ccccc2-c2nn[n-]n2)nn1C(C)(C)C ZINC000735923452 598573411 /nfs/dbraw/zinc/57/34/11/598573411.db2.gz UIGIVCIJNWCQNY-UHFFFAOYSA-N -1 3 353.430 3.194 20 0 FGADHM O[C@H](CNc1c(F)cc(-c2nnn[n-]2)cc1F)c1ccc2ccccc2c1 ZINC000738383831 598581232 /nfs/dbraw/zinc/58/12/32/598581232.db2.gz QVEYHTDTGCQFEZ-QGZVFWFLSA-N -1 3 367.359 3.444 20 0 FGADHM O[C@H](CNc1c(F)cc(-c2nn[n-]n2)cc1F)c1ccc2ccccc2c1 ZINC000738383831 598581235 /nfs/dbraw/zinc/58/12/35/598581235.db2.gz QVEYHTDTGCQFEZ-QGZVFWFLSA-N -1 3 367.359 3.444 20 0 FGADHM O=C(OCc1cc(-c2nnn[n-]2)ccc1F)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000738236656 598584488 /nfs/dbraw/zinc/58/44/88/598584488.db2.gz NXCWYWVZAIFNRQ-STQMWFEESA-N -1 3 374.322 3.131 20 0 FGADHM O=C(OCc1cc(-c2nn[n-]n2)ccc1F)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000738236656 598584489 /nfs/dbraw/zinc/58/44/89/598584489.db2.gz NXCWYWVZAIFNRQ-STQMWFEESA-N -1 3 374.322 3.131 20 0 FGADHM CC[C@H](OC(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(OC)cc1 ZINC000736383007 598584596 /nfs/dbraw/zinc/58/45/96/598584596.db2.gz PERLUAGJMHDDLN-KRWDZBQOSA-N -1 3 352.394 3.112 20 0 FGADHM CC[C@H](OC(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(OC)cc1 ZINC000736383007 598584598 /nfs/dbraw/zinc/58/45/98/598584598.db2.gz PERLUAGJMHDDLN-KRWDZBQOSA-N -1 3 352.394 3.112 20 0 FGADHM O=C(CCOc1ccc(Cl)cc1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737846580 598586380 /nfs/dbraw/zinc/58/63/80/598586380.db2.gz DDJZYNOVCUGBNW-UHFFFAOYSA-N -1 3 361.764 3.067 20 0 FGADHM O=C(CCOc1ccc(Cl)cc1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737846580 598586382 /nfs/dbraw/zinc/58/63/82/598586382.db2.gz DDJZYNOVCUGBNW-UHFFFAOYSA-N -1 3 361.764 3.067 20 0 FGADHM Cc1nc2ccccc2n1CCCNc1ccc(-c2nn[n-]n2)cc1F ZINC000737489514 598592534 /nfs/dbraw/zinc/59/25/34/598592534.db2.gz JGLLLRXKHDAVHC-UHFFFAOYSA-N -1 3 351.389 3.166 20 0 FGADHM CCC[C@@H](NC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1)C1CCCCC1 ZINC000736426031 598593043 /nfs/dbraw/zinc/59/30/43/598593043.db2.gz NIBGWZUZMAJLRI-RHSMWYFYSA-N -1 3 371.485 3.499 20 0 FGADHM CCC[C@@H](NC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1)C1CCCCC1 ZINC000736426031 598593044 /nfs/dbraw/zinc/59/30/44/598593044.db2.gz NIBGWZUZMAJLRI-RHSMWYFYSA-N -1 3 371.485 3.499 20 0 FGADHM CCc1ccc2c(CNc3ccc(F)c(-c4nnn[n-]4)c3)cc(=O)oc2c1 ZINC000736690214 598593317 /nfs/dbraw/zinc/59/33/17/598593317.db2.gz HPUKRUWTMLIPHF-UHFFFAOYSA-N -1 3 365.368 3.287 20 0 FGADHM CCc1ccc2c(CNc3ccc(F)c(-c4nn[n-]n4)c3)cc(=O)oc2c1 ZINC000736690214 598593319 /nfs/dbraw/zinc/59/33/19/598593319.db2.gz HPUKRUWTMLIPHF-UHFFFAOYSA-N -1 3 365.368 3.287 20 0 FGADHM CCn1cc(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c2ccccc21 ZINC000736719726 598597349 /nfs/dbraw/zinc/59/73/49/598597349.db2.gz REDBOBYDPIXCRL-UHFFFAOYSA-N -1 3 350.357 3.233 20 0 FGADHM CCn1cc(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c2ccccc21 ZINC000736719726 598597352 /nfs/dbraw/zinc/59/73/52/598597352.db2.gz REDBOBYDPIXCRL-UHFFFAOYSA-N -1 3 350.357 3.233 20 0 FGADHM O=C(CCCCC(=O)c1ccccc1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737827120 598606230 /nfs/dbraw/zinc/60/62/30/598606230.db2.gz WTWWCPHHMNYJGJ-UHFFFAOYSA-N -1 3 367.384 3.388 20 0 FGADHM O=C(CCCCC(=O)c1ccccc1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737827120 598606232 /nfs/dbraw/zinc/60/62/32/598606232.db2.gz WTWWCPHHMNYJGJ-UHFFFAOYSA-N -1 3 367.384 3.388 20 0 FGADHM CCC[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000736435022 598608476 /nfs/dbraw/zinc/60/84/76/598608476.db2.gz ISAYGXGBKVYBFZ-SQWLQELKSA-N -1 3 357.458 3.109 20 0 FGADHM CCC[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000736435022 598608477 /nfs/dbraw/zinc/60/84/77/598608477.db2.gz ISAYGXGBKVYBFZ-SQWLQELKSA-N -1 3 357.458 3.109 20 0 FGADHM COc1ccc(-c2noc([C@H](C)Oc3ccc(-c4nn[n-]n4)cc3)n2)cc1 ZINC000737062453 598609438 /nfs/dbraw/zinc/60/94/38/598609438.db2.gz MSXBHHJHLATIIF-NSHDSACASA-N -1 3 364.365 3.065 20 0 FGADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)c1nc(-c2ccc(F)c(F)c2)no1 ZINC000736170884 598609749 /nfs/dbraw/zinc/60/97/49/598609749.db2.gz YUCVNQWCSUVPGH-SECBINFHSA-N -1 3 370.319 3.335 20 0 FGADHM CN(c1ccccc1)C1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000736842509 598628014 /nfs/dbraw/zinc/62/80/14/598628014.db2.gz BLGGVMCBJNAVCD-UHFFFAOYSA-N -1 3 352.417 3.111 20 0 FGADHM CN(c1ccccc1)C1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000736842509 598628016 /nfs/dbraw/zinc/62/80/16/598628016.db2.gz BLGGVMCBJNAVCD-UHFFFAOYSA-N -1 3 352.417 3.111 20 0 FGADHM CCOc1ccc([C@@H](C)NC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000736638156 598630544 /nfs/dbraw/zinc/63/05/44/598630544.db2.gz VRQULTWTGJXMQZ-LLVKDONJSA-N -1 3 370.388 3.287 20 0 FGADHM CCOc1ccc([C@@H](C)NC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000736638156 598630546 /nfs/dbraw/zinc/63/05/46/598630546.db2.gz VRQULTWTGJXMQZ-LLVKDONJSA-N -1 3 370.388 3.287 20 0 FGADHM O[C@@H](c1ccccc1)C1CCN(c2cc(Cl)ccc2-c2nnn[n-]2)CC1 ZINC000738386447 598632185 /nfs/dbraw/zinc/63/21/85/598632185.db2.gz KZAFZPDSBXEBHT-SFHVURJKSA-N -1 3 369.856 3.470 20 0 FGADHM O[C@@H](c1ccccc1)C1CCN(c2cc(Cl)ccc2-c2nn[n-]n2)CC1 ZINC000738386447 598632187 /nfs/dbraw/zinc/63/21/87/598632187.db2.gz KZAFZPDSBXEBHT-SFHVURJKSA-N -1 3 369.856 3.470 20 0 FGADHM C[C@@H]1CN(c2cc(Cl)ccc2-c2nnn[n-]2)C[C@@H](c2ccccc2)O1 ZINC000736290212 598634302 /nfs/dbraw/zinc/63/43/02/598634302.db2.gz QDQNCPVWDDCEAE-PXAZEXFGSA-N -1 3 355.829 3.487 20 0 FGADHM C[C@@H]1CN(c2cc(Cl)ccc2-c2nn[n-]n2)C[C@@H](c2ccccc2)O1 ZINC000736290212 598634303 /nfs/dbraw/zinc/63/43/03/598634303.db2.gz QDQNCPVWDDCEAE-PXAZEXFGSA-N -1 3 355.829 3.487 20 0 FGADHM COC(=O)c1ccc(CSCc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000736947968 598644197 /nfs/dbraw/zinc/64/41/97/598644197.db2.gz QUVLDPZZFGCLNU-UHFFFAOYSA-N -1 3 358.398 3.226 20 0 FGADHM COC(=O)c1ccc(CSCc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000736947968 598644198 /nfs/dbraw/zinc/64/41/98/598644198.db2.gz QUVLDPZZFGCLNU-UHFFFAOYSA-N -1 3 358.398 3.226 20 0 FGADHM Cc1ccc(OC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737364588 598644994 /nfs/dbraw/zinc/64/49/94/598644994.db2.gz MBYAWWIBDKYQAX-UHFFFAOYSA-N -1 3 352.394 3.330 20 0 FGADHM Cc1ccc(OC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737364588 598644996 /nfs/dbraw/zinc/64/49/96/598644996.db2.gz MBYAWWIBDKYQAX-UHFFFAOYSA-N -1 3 352.394 3.330 20 0 FGADHM C[C@H]1CCCC[C@H]1NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736267041 598646247 /nfs/dbraw/zinc/64/62/47/598646247.db2.gz ADKGNFBAGGQIRZ-WMLDXEAASA-N -1 3 357.458 3.111 20 0 FGADHM C[C@H]1CCCC[C@H]1NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736267041 598646249 /nfs/dbraw/zinc/64/62/49/598646249.db2.gz ADKGNFBAGGQIRZ-WMLDXEAASA-N -1 3 357.458 3.111 20 0 FGADHM CC[C@H](Sc1ccccc1)C(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736391776 598649671 /nfs/dbraw/zinc/64/96/71/598649671.db2.gz OEGQRLKUNVEYCU-KRWDZBQOSA-N -1 3 367.478 3.396 20 0 FGADHM CC[C@H](Sc1ccccc1)C(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736391776 598649672 /nfs/dbraw/zinc/64/96/72/598649672.db2.gz OEGQRLKUNVEYCU-KRWDZBQOSA-N -1 3 367.478 3.396 20 0 FGADHM C[C@@H](CSc1ccccc1)C(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736048418 598649974 /nfs/dbraw/zinc/64/99/74/598649974.db2.gz WEPOKODZDWGCEH-AWEZNQCLSA-N -1 3 367.478 3.254 20 0 FGADHM C[C@@H](CSc1ccccc1)C(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736048418 598649975 /nfs/dbraw/zinc/64/99/75/598649975.db2.gz WEPOKODZDWGCEH-AWEZNQCLSA-N -1 3 367.478 3.254 20 0 FGADHM C[C@H]1CCCC[C@@H]1CNC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736271932 598654735 /nfs/dbraw/zinc/65/47/35/598654735.db2.gz PISXZQMBHRYMGP-DOTOQJQBSA-N -1 3 371.485 3.358 20 0 FGADHM C[C@H]1CCCC[C@@H]1CNC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736271932 598654736 /nfs/dbraw/zinc/65/47/36/598654736.db2.gz PISXZQMBHRYMGP-DOTOQJQBSA-N -1 3 371.485 3.358 20 0 FGADHM CO[C@@H](C)c1cccc(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736964314 598658801 /nfs/dbraw/zinc/65/88/01/598658801.db2.gz WWNWVWUARQFCFF-LBPRGKRZSA-N -1 3 369.450 3.305 20 0 FGADHM CO[C@@H](C)c1cccc(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736964314 598658803 /nfs/dbraw/zinc/65/88/03/598658803.db2.gz WWNWVWUARQFCFF-LBPRGKRZSA-N -1 3 369.450 3.305 20 0 FGADHM Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000737316857 598658884 /nfs/dbraw/zinc/65/88/84/598658884.db2.gz HILTYNQJSZDWOB-ZDUSSCGKSA-N -1 3 366.425 3.100 20 0 FGADHM Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000737316857 598658885 /nfs/dbraw/zinc/65/88/85/598658885.db2.gz HILTYNQJSZDWOB-ZDUSSCGKSA-N -1 3 366.425 3.100 20 0 FGADHM CC(C)(Cc1ccccc1Cl)NC(=O)c1sccc1-c1nnn[n-]1 ZINC000735670592 598660020 /nfs/dbraw/zinc/66/00/20/598660020.db2.gz DNCXEANEWMVMOV-UHFFFAOYSA-N -1 3 361.858 3.333 20 0 FGADHM CC(C)(Cc1ccccc1Cl)NC(=O)c1sccc1-c1nn[n-]n1 ZINC000735670592 598660021 /nfs/dbraw/zinc/66/00/21/598660021.db2.gz DNCXEANEWMVMOV-UHFFFAOYSA-N -1 3 361.858 3.333 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cn1)[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000738152390 598660811 /nfs/dbraw/zinc/66/08/11/598660811.db2.gz XLMCLVPYDQMNKO-DLBZAZTESA-N -1 3 356.389 3.157 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cn1)[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000738152390 598660813 /nfs/dbraw/zinc/66/08/13/598660813.db2.gz XLMCLVPYDQMNKO-DLBZAZTESA-N -1 3 356.389 3.157 20 0 FGADHM CC(C)(CNC(=O)CCc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1 ZINC000735666600 598661030 /nfs/dbraw/zinc/66/10/30/598661030.db2.gz PMAIKGIQZYYPBS-UHFFFAOYSA-N -1 3 367.428 3.032 20 0 FGADHM CC(C)(CNC(=O)CCc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1 ZINC000735666600 598661032 /nfs/dbraw/zinc/66/10/32/598661032.db2.gz PMAIKGIQZYYPBS-UHFFFAOYSA-N -1 3 367.428 3.032 20 0 FGADHM CN(C(=O)c1cccc(-c2nnn[n-]2)c1)[C@@H](c1ccccc1)C(F)(F)F ZINC000736741272 598661875 /nfs/dbraw/zinc/66/18/75/598661875.db2.gz DSKKVGPYNLNLSC-AWEZNQCLSA-N -1 3 361.327 3.242 20 0 FGADHM CN(C(=O)c1cccc(-c2nn[n-]n2)c1)[C@@H](c1ccccc1)C(F)(F)F ZINC000736741272 598661876 /nfs/dbraw/zinc/66/18/76/598661876.db2.gz DSKKVGPYNLNLSC-AWEZNQCLSA-N -1 3 361.327 3.242 20 0 FGADHM Cc1ccncc1NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000737445638 598665374 /nfs/dbraw/zinc/66/53/74/598665374.db2.gz SPLHIIJWSNQYIR-UHFFFAOYSA-N -1 3 373.376 3.010 20 0 FGADHM Cc1ccncc1NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000737445638 598665376 /nfs/dbraw/zinc/66/53/76/598665376.db2.gz SPLHIIJWSNQYIR-UHFFFAOYSA-N -1 3 373.376 3.010 20 0 FGADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)N1CCC[C@H]1C1CCC1 ZINC000737832701 598688899 /nfs/dbraw/zinc/68/88/99/598688899.db2.gz KIGNJFCIVCXFRW-SFHVURJKSA-N -1 3 369.469 3.207 20 0 FGADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)N1CCC[C@H]1C1CCC1 ZINC000737832701 598688901 /nfs/dbraw/zinc/68/89/01/598688901.db2.gz KIGNJFCIVCXFRW-SFHVURJKSA-N -1 3 369.469 3.207 20 0 FGADHM C[C@@H](SCc1ccc(F)cc1-c1nnn[n-]1)C(=O)N(C)c1ccccc1 ZINC000736189227 598696263 /nfs/dbraw/zinc/69/62/63/598696263.db2.gz OPCZCOWJWYDINI-GFCCVEGCSA-N -1 3 371.441 3.291 20 0 FGADHM C[C@@H](SCc1ccc(F)cc1-c1nn[n-]n1)C(=O)N(C)c1ccccc1 ZINC000736189227 598696264 /nfs/dbraw/zinc/69/62/64/598696264.db2.gz OPCZCOWJWYDINI-GFCCVEGCSA-N -1 3 371.441 3.291 20 0 FGADHM O=C(CCSc1ccccc1)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737850257 598702313 /nfs/dbraw/zinc/70/23/13/598702313.db2.gz PBGOWDYOMUHLAU-UHFFFAOYSA-N -1 3 358.398 3.231 20 0 FGADHM O=C(CCSc1ccccc1)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737850257 598702315 /nfs/dbraw/zinc/70/23/15/598702315.db2.gz PBGOWDYOMUHLAU-UHFFFAOYSA-N -1 3 358.398 3.231 20 0 FGADHM C[C@@H]1CO[C@@H](c2ccccc2)[C@H](C)N1Cc1ccc(F)cc1-c1nn[n-]n1 ZINC000736290840 598705868 /nfs/dbraw/zinc/70/58/68/598705868.db2.gz CLUGLUGCOIDFJU-BIENJYKASA-N -1 3 367.428 3.356 20 0 FGADHM CC(C)(C(=O)OCc1ccc(F)cc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000735582580 598712389 /nfs/dbraw/zinc/71/23/89/598712389.db2.gz LBUSTTCVLJKQAJ-UHFFFAOYSA-N -1 3 358.348 3.166 20 0 FGADHM CC(C)(C(=O)OCc1ccc(F)cc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000735582580 598712391 /nfs/dbraw/zinc/71/23/91/598712391.db2.gz LBUSTTCVLJKQAJ-UHFFFAOYSA-N -1 3 358.348 3.166 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H]1CCCC[C@@H]1C(C)C ZINC000737062296 598716797 /nfs/dbraw/zinc/71/67/97/598716797.db2.gz IIWNRHVMLCCVAS-ZIAGYGMSSA-N -1 3 358.446 3.212 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@H]1CCCC[C@@H]1C(C)C ZINC000737062296 598716799 /nfs/dbraw/zinc/71/67/99/598716799.db2.gz IIWNRHVMLCCVAS-ZIAGYGMSSA-N -1 3 358.446 3.212 20 0 FGADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)[C@@H](C)Cc1ccccc1 ZINC000737024334 598741659 /nfs/dbraw/zinc/74/16/59/598741659.db2.gz GILAMABFPTWLPR-NSHDSACASA-N -1 3 372.812 3.313 20 0 FGADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)[C@@H](C)Cc1ccccc1 ZINC000737024334 598741660 /nfs/dbraw/zinc/74/16/60/598741660.db2.gz GILAMABFPTWLPR-NSHDSACASA-N -1 3 372.812 3.313 20 0 FGADHM C[C@@H](SCc1ccco1)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736191307 598748241 /nfs/dbraw/zinc/74/82/41/598748241.db2.gz HYVOCLUCFXEMBN-SECBINFHSA-N -1 3 363.830 3.374 20 0 FGADHM C[C@@H](SCc1ccco1)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736191307 598748242 /nfs/dbraw/zinc/74/82/42/598748242.db2.gz HYVOCLUCFXEMBN-SECBINFHSA-N -1 3 363.830 3.374 20 0 FGADHM COCCSc1ccc([C@@H](C)Nc2ncccc2-c2nnn[n-]2)cc1 ZINC000737015280 598755432 /nfs/dbraw/zinc/75/54/32/598755432.db2.gz WAUKNLDVXNDTGW-GFCCVEGCSA-N -1 3 356.455 3.173 20 0 FGADHM COCCSc1ccc([C@@H](C)Nc2ncccc2-c2nn[n-]n2)cc1 ZINC000737015280 598755434 /nfs/dbraw/zinc/75/54/34/598755434.db2.gz WAUKNLDVXNDTGW-GFCCVEGCSA-N -1 3 356.455 3.173 20 0 FGADHM Fc1ccc(-c2nnn[n-]2)cc1CN1CCO[C@H](c2ccccc2Cl)C1 ZINC000737649140 598765540 /nfs/dbraw/zinc/76/55/40/598765540.db2.gz KMHRUKLJLAINAL-KRWDZBQOSA-N -1 3 373.819 3.233 20 0 FGADHM Fc1ccc(-c2nn[n-]n2)cc1CN1CCO[C@H](c2ccccc2Cl)C1 ZINC000737649140 598765542 /nfs/dbraw/zinc/76/55/42/598765542.db2.gz KMHRUKLJLAINAL-KRWDZBQOSA-N -1 3 373.819 3.233 20 0 FGADHM CC(C)COCCCNc1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21 ZINC000735837629 598769742 /nfs/dbraw/zinc/76/97/42/598769742.db2.gz KWKLPJKCQRRZJM-UHFFFAOYSA-N -1 3 362.384 3.168 20 0 FGADHM CC(C)COCCCNc1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21 ZINC000735837629 598769744 /nfs/dbraw/zinc/76/97/44/598769744.db2.gz KWKLPJKCQRRZJM-UHFFFAOYSA-N -1 3 362.384 3.168 20 0 FGADHM CC[C@@H](Cc1ccccc1)C(=O)OCc1ccc(-c2nnn[n-]2)cc1F ZINC000736353816 598779195 /nfs/dbraw/zinc/77/91/95/598779195.db2.gz YXSQFMYILANXAR-AWEZNQCLSA-N -1 3 354.385 3.318 20 0 FGADHM CC[C@@H](Cc1ccccc1)C(=O)OCc1ccc(-c2nn[n-]n2)cc1F ZINC000736353816 598779197 /nfs/dbraw/zinc/77/91/97/598779197.db2.gz YXSQFMYILANXAR-AWEZNQCLSA-N -1 3 354.385 3.318 20 0 FGADHM CC(C)[C@@H](c1ccccc1)N(C)C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000735734683 598801310 /nfs/dbraw/zinc/80/13/10/598801310.db2.gz JKTTVERUDVZCLO-SFHVURJKSA-N -1 3 364.453 3.405 20 0 FGADHM CC(C)[C@@H](c1ccccc1)N(C)C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000735734683 598801311 /nfs/dbraw/zinc/80/13/11/598801311.db2.gz JKTTVERUDVZCLO-SFHVURJKSA-N -1 3 364.453 3.405 20 0 FGADHM CC(=O)c1cc(F)cc(F)c1OCc1cn2ccccc2c1-c1nnn[n-]1 ZINC000735496554 598801707 /nfs/dbraw/zinc/80/17/07/598801707.db2.gz AYKFCIJLOXJYQB-UHFFFAOYSA-N -1 3 369.331 3.179 20 0 FGADHM CC(=O)c1cc(F)cc(F)c1OCc1cn2ccccc2c1-c1nn[n-]n1 ZINC000735496554 598801709 /nfs/dbraw/zinc/80/17/09/598801709.db2.gz AYKFCIJLOXJYQB-UHFFFAOYSA-N -1 3 369.331 3.179 20 0 FGADHM C[C@@H]1SCCN(C(=O)c2ccc(-c3nnn[n-]3)cc2)[C@@H]1c1ccccc1 ZINC000736303905 599303061 /nfs/dbraw/zinc/30/30/61/599303061.db2.gz UHENRHGTKOKQDM-GUYCJALGSA-N -1 3 365.462 3.186 20 0 FGADHM C[C@@H]1SCCN(C(=O)c2ccc(-c3nn[n-]n3)cc2)[C@@H]1c1ccccc1 ZINC000736303905 599303062 /nfs/dbraw/zinc/30/30/62/599303062.db2.gz UHENRHGTKOKQDM-GUYCJALGSA-N -1 3 365.462 3.186 20 0 FGADHM CN(C(=O)[C@H]1CCC[C@H](C(F)(F)F)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736733461 599307426 /nfs/dbraw/zinc/30/74/26/599307426.db2.gz VMOATFISWLARCQ-RYUDHWBXSA-N -1 3 353.348 3.198 20 0 FGADHM CN(C(=O)[C@H]1CCC[C@H](C(F)(F)F)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736733461 599307429 /nfs/dbraw/zinc/30/74/29/599307429.db2.gz VMOATFISWLARCQ-RYUDHWBXSA-N -1 3 353.348 3.198 20 0 FGADHM C[C@H](SCC(=O)N[C@@H]1CCCC[C@@H]1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736189146 599327425 /nfs/dbraw/zinc/32/74/25/599327425.db2.gz OAWABDHNBRRXCT-HEHGZKQESA-N -1 3 359.499 3.356 20 0 FGADHM C[C@H](SCC(=O)N[C@@H]1CCCC[C@@H]1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736189146 599327427 /nfs/dbraw/zinc/32/74/27/599327427.db2.gz OAWABDHNBRRXCT-HEHGZKQESA-N -1 3 359.499 3.356 20 0 FGADHM C[C@H](S[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736188039 599327546 /nfs/dbraw/zinc/32/75/46/599327546.db2.gz HILJKYVMUVPMBW-SUMWQHHRSA-N -1 3 365.462 3.466 20 0 FGADHM C[C@H](S[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736188039 599327547 /nfs/dbraw/zinc/32/75/47/599327547.db2.gz HILJKYVMUVPMBW-SUMWQHHRSA-N -1 3 365.462 3.466 20 0 FGADHM O=C(OCc1cc(-c2nnn[n-]2)ccc1F)c1ccccc1OC1CCC1 ZINC000738236945 599336970 /nfs/dbraw/zinc/33/69/70/599336970.db2.gz WCWCHHFYGFNIHQ-UHFFFAOYSA-N -1 3 368.368 3.294 20 0 FGADHM O=C(OCc1cc(-c2nn[n-]n2)ccc1F)c1ccccc1OC1CCC1 ZINC000738236945 599336972 /nfs/dbraw/zinc/33/69/72/599336972.db2.gz WCWCHHFYGFNIHQ-UHFFFAOYSA-N -1 3 368.368 3.294 20 0 FGADHM O=C1[C@H](Sc2ccccc2-c2nnn[n-]2)CCCN1c1ccccc1 ZINC000823511116 599351537 /nfs/dbraw/zinc/35/15/37/599351537.db2.gz CUAMSXPHWLYRIX-MRXNPFEDSA-N -1 3 351.435 3.154 20 0 FGADHM O=C1[C@H](Sc2ccccc2-c2nn[n-]n2)CCCN1c1ccccc1 ZINC000823511116 599351538 /nfs/dbraw/zinc/35/15/38/599351538.db2.gz CUAMSXPHWLYRIX-MRXNPFEDSA-N -1 3 351.435 3.154 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1CNc1ccc(-c2nccc(C)n2)cc1 ZINC000821731738 607370608 /nfs/dbraw/zinc/37/06/08/607370608.db2.gz GGUIVPLIMFLWTB-UHFFFAOYSA-N -1 3 373.420 3.253 20 0 FGADHM FC(F)(F)CCCNc1c(-c2nnn[n-]2)cnc2ccc(Cl)cc21 ZINC000822713906 599358990 /nfs/dbraw/zinc/35/89/90/599358990.db2.gz BGWOFXIOLFLJQK-UHFFFAOYSA-N -1 3 356.739 3.245 20 0 FGADHM FC(F)(F)CCCNc1c(-c2nn[n-]n2)cnc2ccc(Cl)cc21 ZINC000822713906 599358992 /nfs/dbraw/zinc/35/89/92/599358992.db2.gz BGWOFXIOLFLJQK-UHFFFAOYSA-N -1 3 356.739 3.245 20 0 FGADHM O=C(Nc1cccc(OCc2ccccc2-c2nnn[n-]2)c1)c1ccco1 ZINC000738185912 599364878 /nfs/dbraw/zinc/36/48/78/599364878.db2.gz LEFLNKPAZMUXIX-UHFFFAOYSA-N -1 3 361.361 3.291 20 0 FGADHM O=C(Nc1cccc(OCc2ccccc2-c2nn[n-]n2)c1)c1ccco1 ZINC000738185912 599364879 /nfs/dbraw/zinc/36/48/79/599364879.db2.gz LEFLNKPAZMUXIX-UHFFFAOYSA-N -1 3 361.361 3.291 20 0 FGADHM Cc1cccc(C(C)(C)NC(=S)Nc2ccccc2-c2nnn[n-]2)c1 ZINC000737385406 599370982 /nfs/dbraw/zinc/37/09/82/599370982.db2.gz SGLDXWHYESEVLO-UHFFFAOYSA-N -1 3 352.467 3.397 20 0 FGADHM Cc1cccc(C(C)(C)NC(=S)Nc2ccccc2-c2nn[n-]n2)c1 ZINC000737385406 599370984 /nfs/dbraw/zinc/37/09/84/599370984.db2.gz SGLDXWHYESEVLO-UHFFFAOYSA-N -1 3 352.467 3.397 20 0 FGADHM C[C@H](NC(=O)CCc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1Cl ZINC000736104902 599377862 /nfs/dbraw/zinc/37/78/62/599377862.db2.gz JLJMBCUVUYROPW-NSHDSACASA-N -1 3 373.819 3.469 20 0 FGADHM C[C@H](NC(=O)CCc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1Cl ZINC000736104902 599377865 /nfs/dbraw/zinc/37/78/65/599377865.db2.gz JLJMBCUVUYROPW-NSHDSACASA-N -1 3 373.819 3.469 20 0 FGADHM C[C@@H](C(=O)OCC(=O)c1ccc(-c2nnn[n-]2)cc1)c1cccc(Cl)c1 ZINC000824051845 607373791 /nfs/dbraw/zinc/37/37/91/607373791.db2.gz GJHQXSHGGHZSKY-LLVKDONJSA-N -1 3 370.796 3.050 20 0 FGADHM C[C@@H](C(=O)OCC(=O)c1ccc(-c2nn[n-]n2)cc1)c1cccc(Cl)c1 ZINC000824051845 607373794 /nfs/dbraw/zinc/37/37/94/607373794.db2.gz GJHQXSHGGHZSKY-LLVKDONJSA-N -1 3 370.796 3.050 20 0 FGADHM CCCOc1ccc([C@H](C)NCc2ccc(-c3nnn[n-]3)o2)cc1OC ZINC000821133539 599406666 /nfs/dbraw/zinc/40/66/66/599406666.db2.gz AAWJLUYLWZPGKM-LBPRGKRZSA-N -1 3 357.414 3.108 20 0 FGADHM Fc1cccc(OCCNc2cc(-c3nnn[n-]3)c3ccccc3n2)c1 ZINC000737663240 599406844 /nfs/dbraw/zinc/40/68/44/599406844.db2.gz IBNXGWMOTQFXSX-UHFFFAOYSA-N -1 3 350.357 3.045 20 0 FGADHM Fc1cccc(OCCNc2cc(-c3nn[n-]n3)c3ccccc3n2)c1 ZINC000737663240 599406846 /nfs/dbraw/zinc/40/68/46/599406846.db2.gz IBNXGWMOTQFXSX-UHFFFAOYSA-N -1 3 350.357 3.045 20 0 FGADHM Cc1ccc(CNC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c(C)c1 ZINC000822237116 599415737 /nfs/dbraw/zinc/41/57/37/599415737.db2.gz FYBPBNJTFNIDKJ-CQSZACIVSA-N -1 3 350.426 3.044 20 0 FGADHM Cc1ccc(CNC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c(C)c1 ZINC000822237116 599415740 /nfs/dbraw/zinc/41/57/40/599415740.db2.gz FYBPBNJTFNIDKJ-CQSZACIVSA-N -1 3 350.426 3.044 20 0 FGADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)N1CC[C@@H]1c1ccc(Cl)cc1 ZINC000823257415 599416883 /nfs/dbraw/zinc/41/68/83/599416883.db2.gz MAKDWVWCQQUDRP-MRXNPFEDSA-N -1 3 368.828 3.177 20 0 FGADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)N1CC[C@@H]1c1ccc(Cl)cc1 ZINC000823257415 599416886 /nfs/dbraw/zinc/41/68/86/599416886.db2.gz MAKDWVWCQQUDRP-MRXNPFEDSA-N -1 3 368.828 3.177 20 0 FGADHM C[C@@H](NC(=O)N[C@@H]1CCc2c1cccc2F)c1cccc(-c2nnn[n-]2)c1 ZINC000820356620 599422206 /nfs/dbraw/zinc/42/22/06/599422206.db2.gz ALDDJDIRUXXKIR-PIGZYNQJSA-N -1 3 366.400 3.054 20 0 FGADHM C[C@@H](NC(=O)N[C@@H]1CCc2c1cccc2F)c1cccc(-c2nn[n-]n2)c1 ZINC000820356620 599422209 /nfs/dbraw/zinc/42/22/09/599422209.db2.gz ALDDJDIRUXXKIR-PIGZYNQJSA-N -1 3 366.400 3.054 20 0 FGADHM Cc1ccc(/C=C/CC(=O)OCC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826285838 607378478 /nfs/dbraw/zinc/37/84/78/607378478.db2.gz LCUDJBPRJHBCCG-NSCUHMNNSA-N -1 3 362.389 3.005 20 0 FGADHM Cc1ccc(/C=C/CC(=O)OCC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826285838 607378480 /nfs/dbraw/zinc/37/84/80/607378480.db2.gz LCUDJBPRJHBCCG-NSCUHMNNSA-N -1 3 362.389 3.005 20 0 FGADHM COc1cccc(-c2ccc(CNCc3ccc(-c4nnn[n-]4)o3)cc2)c1 ZINC000821853886 599452391 /nfs/dbraw/zinc/45/23/91/599452391.db2.gz CDSQAWUSCFLYEZ-UHFFFAOYSA-N -1 3 361.405 3.425 20 0 FGADHM Cc1nn(-c2ccccc2)c(C)c1CNc1ccc(F)cc1-c1nnn[n-]1 ZINC000822486221 599465522 /nfs/dbraw/zinc/46/55/22/599465522.db2.gz BVJVYOIKEVOGHV-UHFFFAOYSA-N -1 3 363.400 3.420 20 0 FGADHM Cc1nn(-c2ccccc2)c(C)c1CNc1ccc(F)cc1-c1nn[n-]n1 ZINC000822486221 599465524 /nfs/dbraw/zinc/46/55/24/599465524.db2.gz BVJVYOIKEVOGHV-UHFFFAOYSA-N -1 3 363.400 3.420 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H]1CC[C@H](SC)C1 ZINC000821104512 599466444 /nfs/dbraw/zinc/46/64/44/599466444.db2.gz GXNJRZQXOZMNNJ-HOTGVXAUSA-N -1 3 374.514 3.072 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H]1CC[C@H](SC)C1 ZINC000821104512 599466446 /nfs/dbraw/zinc/46/64/46/599466446.db2.gz GXNJRZQXOZMNNJ-HOTGVXAUSA-N -1 3 374.514 3.072 20 0 FGADHM CCCC(=O)Nc1ccc(CNc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000821008147 599480127 /nfs/dbraw/zinc/48/01/27/599480127.db2.gz HOURYMPZUYXIHM-UHFFFAOYSA-N -1 3 354.389 3.357 20 0 FGADHM CCCC(=O)Nc1ccc(CNc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000821008147 599480128 /nfs/dbraw/zinc/48/01/28/599480128.db2.gz HOURYMPZUYXIHM-UHFFFAOYSA-N -1 3 354.389 3.357 20 0 FGADHM CC[C@H](NC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1)c1nc(C)cs1 ZINC000820919683 599481360 /nfs/dbraw/zinc/48/13/60/599481360.db2.gz FOUUHQIIJAZDPI-RISCZKNCSA-N -1 3 371.470 3.143 20 0 FGADHM CC[C@H](NC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1)c1nc(C)cs1 ZINC000820919683 599481362 /nfs/dbraw/zinc/48/13/62/599481362.db2.gz FOUUHQIIJAZDPI-RISCZKNCSA-N -1 3 371.470 3.143 20 0 FGADHM C[C@@H](Cc1ccsc1)Nc1c(-c2nnn[n-]2)cnc2c(F)ccc(F)c21 ZINC000820306674 599490122 /nfs/dbraw/zinc/49/01/22/599490122.db2.gz BRACAJFUFUNOAY-VIFPVBQESA-N -1 3 372.404 3.220 20 0 FGADHM C[C@@H](Cc1ccsc1)Nc1c(-c2nn[n-]n2)cnc2c(F)ccc(F)c21 ZINC000820306674 599490123 /nfs/dbraw/zinc/49/01/23/599490123.db2.gz BRACAJFUFUNOAY-VIFPVBQESA-N -1 3 372.404 3.220 20 0 FGADHM C[C@H]1CN(c2c(-c3nnn[n-]3)cnc3ccccc32)C[C@@H](c2ccccc2)O1 ZINC000820767313 599495080 /nfs/dbraw/zinc/49/50/80/599495080.db2.gz HXEOJPDYUHQVLC-LIRRHRJNSA-N -1 3 372.432 3.381 20 0 FGADHM C[C@H]1CN(c2c(-c3nn[n-]n3)cnc3ccccc32)C[C@@H](c2ccccc2)O1 ZINC000820767313 599495081 /nfs/dbraw/zinc/49/50/81/599495081.db2.gz HXEOJPDYUHQVLC-LIRRHRJNSA-N -1 3 372.432 3.381 20 0 FGADHM CCOc1ccc(CNc2c(-c3nnn[n-]3)cnc3c(C)cccc32)cc1 ZINC000821422165 599495136 /nfs/dbraw/zinc/49/51/36/599495136.db2.gz QSVUVQKGSNWFER-UHFFFAOYSA-N -1 3 360.421 3.156 20 0 FGADHM CCOc1ccc(CNc2c(-c3nn[n-]n3)cnc3c(C)cccc32)cc1 ZINC000821422165 599495137 /nfs/dbraw/zinc/49/51/37/599495137.db2.gz QSVUVQKGSNWFER-UHFFFAOYSA-N -1 3 360.421 3.156 20 0 FGADHM CC(C)(C(=O)OCc1ccc(-c2nnn[n-]2)cc1F)c1cccc(F)c1 ZINC000735582296 599498007 /nfs/dbraw/zinc/49/80/07/599498007.db2.gz KKJDDPODGDUTHP-UHFFFAOYSA-N -1 3 358.348 3.166 20 0 FGADHM CC(C)(C(=O)OCc1ccc(-c2nn[n-]n2)cc1F)c1cccc(F)c1 ZINC000735582296 599498010 /nfs/dbraw/zinc/49/80/10/599498010.db2.gz KKJDDPODGDUTHP-UHFFFAOYSA-N -1 3 358.348 3.166 20 0 FGADHM C[C@@H](NC(=O)Cc1ccc2ccccc2c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820333799 599501356 /nfs/dbraw/zinc/50/13/56/599501356.db2.gz GMDMHPIKYDZIIG-CQSZACIVSA-N -1 3 357.417 3.440 20 0 FGADHM C[C@@H](NC(=O)Cc1ccc2ccccc2c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820333799 599501360 /nfs/dbraw/zinc/50/13/60/599501360.db2.gz GMDMHPIKYDZIIG-CQSZACIVSA-N -1 3 357.417 3.440 20 0 FGADHM CC(C)c1nc([C@H]2CCCN(c3c(Cl)cccc3-c3nnn[n-]3)C2)no1 ZINC000820203600 599508106 /nfs/dbraw/zinc/50/81/06/599508106.db2.gz VVKFOLDDMJKMCD-NSHDSACASA-N -1 3 373.848 3.411 20 0 FGADHM CC(C)c1nc([C@H]2CCCN(c3c(Cl)cccc3-c3nn[n-]n3)C2)no1 ZINC000820203600 599508108 /nfs/dbraw/zinc/50/81/08/599508108.db2.gz VVKFOLDDMJKMCD-NSHDSACASA-N -1 3 373.848 3.411 20 0 FGADHM Cc1csc([C@H]2CCCN(c3c(F)cc(-c4nnn[n-]4)cc3F)C2)n1 ZINC000822408927 599509370 /nfs/dbraw/zinc/50/93/70/599509370.db2.gz IYWPYIDKENAVNI-JTQLQIEISA-N -1 3 362.409 3.294 20 0 FGADHM Cc1csc([C@H]2CCCN(c3c(F)cc(-c4nn[n-]n4)cc3F)C2)n1 ZINC000822408927 599509372 /nfs/dbraw/zinc/50/93/72/599509372.db2.gz IYWPYIDKENAVNI-JTQLQIEISA-N -1 3 362.409 3.294 20 0 FGADHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2N[C@@H](C)c1cccc(O)c1 ZINC000822204508 599517303 /nfs/dbraw/zinc/51/73/03/599517303.db2.gz RGKRKJPIDSEXSO-NSHDSACASA-N -1 3 364.384 3.163 20 0 FGADHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2N[C@@H](C)c1cccc(O)c1 ZINC000822204508 599517304 /nfs/dbraw/zinc/51/73/04/599517304.db2.gz RGKRKJPIDSEXSO-NSHDSACASA-N -1 3 364.384 3.163 20 0 FGADHM Cc1ncc(CN(C)c2ccc(-c3nn[n-]n3)cc2C(F)(F)F)s1 ZINC000737493024 599520738 /nfs/dbraw/zinc/52/07/38/599520738.db2.gz WWWIMAIVLTVUST-UHFFFAOYSA-N -1 3 354.361 3.287 20 0 FGADHM O[C@H](CNc1ccc(-c2nn[n-]n2)cc1C(F)(F)F)c1cccc(F)c1 ZINC000738382589 599523129 /nfs/dbraw/zinc/52/31/29/599523129.db2.gz LUGXVLOEDADADY-CQSZACIVSA-N -1 3 367.306 3.170 20 0 FGADHM Cc1ccccc1SCC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822367009 599525056 /nfs/dbraw/zinc/52/50/56/599525056.db2.gz ZBLAIMADPMEBMC-CYBMUJFWSA-N -1 3 353.451 3.145 20 0 FGADHM Cc1ccccc1SCC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822367009 599525059 /nfs/dbraw/zinc/52/50/59/599525059.db2.gz ZBLAIMADPMEBMC-CYBMUJFWSA-N -1 3 353.451 3.145 20 0 FGADHM O[C@@H](CNc1ccc(-c2nn[n-]n2)cc1C(F)(F)F)C1CCCCC1 ZINC000738385184 599526078 /nfs/dbraw/zinc/52/60/78/599526078.db2.gz WSIMDMMJMWSYSY-AWEZNQCLSA-N -1 3 355.364 3.239 20 0 FGADHM C[C@@H](NC(=O)c1cc(F)c(F)cc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000820389928 599531703 /nfs/dbraw/zinc/53/17/03/599531703.db2.gz BZGPESHHSHRJRY-MRVPVSSYSA-N -1 3 363.755 3.289 20 0 FGADHM C[C@@H](NC(=O)c1cc(F)c(F)cc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000820389928 599531705 /nfs/dbraw/zinc/53/17/05/599531705.db2.gz BZGPESHHSHRJRY-MRVPVSSYSA-N -1 3 363.755 3.289 20 0 FGADHM C[C@@H](NC(=O)CCc1ccc(Cl)s1)c1cccc(-c2nnn[n-]2)c1 ZINC000820329490 599536251 /nfs/dbraw/zinc/53/62/51/599536251.db2.gz WODZQUCQNVCOJG-SNVBAGLBSA-N -1 3 361.858 3.392 20 0 FGADHM C[C@@H](NC(=O)CCc1ccc(Cl)s1)c1cccc(-c2nn[n-]n2)c1 ZINC000820329490 599536253 /nfs/dbraw/zinc/53/62/53/599536253.db2.gz WODZQUCQNVCOJG-SNVBAGLBSA-N -1 3 361.858 3.392 20 0 FGADHM C[C@H](NC(=O)c1cc2c(s1)CCCC2)c1cccc(-c2nnn[n-]2)c1 ZINC000820390258 599538606 /nfs/dbraw/zinc/53/86/06/599538606.db2.gz GQNUPHJMNAMLQC-NSHDSACASA-N -1 3 353.451 3.298 20 0 FGADHM C[C@H](NC(=O)c1cc2c(s1)CCCC2)c1cccc(-c2nn[n-]n2)c1 ZINC000820390258 599538609 /nfs/dbraw/zinc/53/86/09/599538609.db2.gz GQNUPHJMNAMLQC-NSHDSACASA-N -1 3 353.451 3.298 20 0 FGADHM C[C@H](Cc1ccccc1F)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736056432 599538995 /nfs/dbraw/zinc/53/89/95/599538995.db2.gz BRMOAPIKSOIVKV-SNVBAGLBSA-N -1 3 359.792 3.477 20 0 FGADHM C[C@H](Cc1ccccc1F)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736056432 599538998 /nfs/dbraw/zinc/53/89/98/599538998.db2.gz BRMOAPIKSOIVKV-SNVBAGLBSA-N -1 3 359.792 3.477 20 0 FGADHM Cc1nc(C(C)C)sc1C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822424219 599541021 /nfs/dbraw/zinc/54/10/21/599541021.db2.gz UOLTYPKZEHBMBL-JTQLQIEISA-N -1 3 356.455 3.246 20 0 FGADHM Cc1nc(C(C)C)sc1C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822424219 599541024 /nfs/dbraw/zinc/54/10/24/599541024.db2.gz UOLTYPKZEHBMBL-JTQLQIEISA-N -1 3 356.455 3.246 20 0 FGADHM C[C@@H](Cc1ccccc1F)C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736059385 599542126 /nfs/dbraw/zinc/54/21/26/599542126.db2.gz RUWGWLOJWJMKDE-STQMWFEESA-N -1 3 353.401 3.062 20 0 FGADHM C[C@@H](Cc1ccccc1F)C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736059385 599542128 /nfs/dbraw/zinc/54/21/28/599542128.db2.gz RUWGWLOJWJMKDE-STQMWFEESA-N -1 3 353.401 3.062 20 0 FGADHM Cc1c(Cl)cccc1OCC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822034427 599542542 /nfs/dbraw/zinc/54/25/42/599542542.db2.gz CLSNFRHBQHTLCS-LBPRGKRZSA-N -1 3 371.828 3.085 20 0 FGADHM Cc1c(Cl)cccc1OCC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822034427 599542544 /nfs/dbraw/zinc/54/25/44/599542544.db2.gz CLSNFRHBQHTLCS-LBPRGKRZSA-N -1 3 371.828 3.085 20 0 FGADHM Cc1ccc(C)c(OCCC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000822232021 599543589 /nfs/dbraw/zinc/54/35/89/599543589.db2.gz QWCVNONPOSYARI-HNNXBMFYSA-N -1 3 365.437 3.130 20 0 FGADHM Cc1ccc(C)c(OCCC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000822232021 599543591 /nfs/dbraw/zinc/54/35/91/599543591.db2.gz QWCVNONPOSYARI-HNNXBMFYSA-N -1 3 365.437 3.130 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)Cc1csc(-c2ccoc2)n1 ZINC000737291095 599544921 /nfs/dbraw/zinc/54/49/21/599544921.db2.gz HVFPGOSGNIZWIL-UHFFFAOYSA-N -1 3 366.406 3.073 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)Cc1csc(-c2ccoc2)n1 ZINC000737291095 599544922 /nfs/dbraw/zinc/54/49/22/599544922.db2.gz HVFPGOSGNIZWIL-UHFFFAOYSA-N -1 3 366.406 3.073 20 0 FGADHM CC(C)(NC(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1cccc(Cl)c1 ZINC000735671685 599547178 /nfs/dbraw/zinc/54/71/78/599547178.db2.gz ATRMGBDWXCZPSM-UHFFFAOYSA-N -1 3 355.829 3.114 20 0 FGADHM CC(C)(NC(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1cccc(Cl)c1 ZINC000735671685 599547181 /nfs/dbraw/zinc/54/71/81/599547181.db2.gz ATRMGBDWXCZPSM-UHFFFAOYSA-N -1 3 355.829 3.114 20 0 FGADHM CC[C@H](C)[C@H]1CCCCN1C(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000736330612 599547835 /nfs/dbraw/zinc/54/78/35/599547835.db2.gz MTRYZDHIUPFJHJ-OFQRWUPVSA-N -1 3 357.458 3.061 20 0 FGADHM CC[C@H](C)[C@H]1CCCCN1C(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000736330612 599547837 /nfs/dbraw/zinc/54/78/37/599547837.db2.gz MTRYZDHIUPFJHJ-OFQRWUPVSA-N -1 3 357.458 3.061 20 0 FGADHM CC(=O)CCC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000819782234 599556787 /nfs/dbraw/zinc/55/67/87/599556787.db2.gz IPNFYCUFSAHCBP-UHFFFAOYSA-N -1 3 369.356 3.106 20 0 FGADHM CC(=O)CCC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000819782234 599556790 /nfs/dbraw/zinc/55/67/90/599556790.db2.gz IPNFYCUFSAHCBP-UHFFFAOYSA-N -1 3 369.356 3.106 20 0 FGADHM C[C@H](c1cccs1)N(C)Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000820571257 599563215 /nfs/dbraw/zinc/56/32/15/599563215.db2.gz WUSDCNVPNSOMBA-LLVKDONJSA-N -1 3 367.438 3.171 20 0 FGADHM C[C@H](c1cccs1)N(C)Cc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000820571257 599563217 /nfs/dbraw/zinc/56/32/17/599563217.db2.gz WUSDCNVPNSOMBA-LLVKDONJSA-N -1 3 367.438 3.171 20 0 FGADHM CC(C)(C)OC(=O)CCNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000819927980 599572712 /nfs/dbraw/zinc/57/27/12/599572712.db2.gz FAVULRWTKJBIEE-UHFFFAOYSA-N -1 3 357.336 3.029 20 0 FGADHM CC(C)(C)OC(=O)CCNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000819927980 599572713 /nfs/dbraw/zinc/57/27/13/599572713.db2.gz FAVULRWTKJBIEE-UHFFFAOYSA-N -1 3 357.336 3.029 20 0 FGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N[C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000738179343 599600294 /nfs/dbraw/zinc/60/02/94/599600294.db2.gz RMRNBZWTWBWXTA-MAUKXSAKSA-N -1 3 362.437 3.400 20 0 FGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N[C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000738179343 599600296 /nfs/dbraw/zinc/60/02/96/599600296.db2.gz RMRNBZWTWBWXTA-MAUKXSAKSA-N -1 3 362.437 3.400 20 0 FGADHM Cc1ccc(C[C@H](C)NC(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000737334373 599601703 /nfs/dbraw/zinc/60/17/03/599601703.db2.gz GQYYWNFOXIRAAM-WCQYABFASA-N -1 3 370.482 3.228 20 0 FGADHM Cc1ccc(C[C@H](C)NC(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000737334373 599601705 /nfs/dbraw/zinc/60/17/05/599601705.db2.gz GQYYWNFOXIRAAM-WCQYABFASA-N -1 3 370.482 3.228 20 0 FGADHM C[C@H](C(=O)OCc1cn2ccccc2c1-c1nnn[n-]1)c1cccs1 ZINC000735572089 599606679 /nfs/dbraw/zinc/60/66/79/599606679.db2.gz QTJYXTSWILRYGL-NSHDSACASA-N -1 3 353.407 3.028 20 0 FGADHM C[C@H](C(=O)OCc1cn2ccccc2c1-c1nn[n-]n1)c1cccs1 ZINC000735572089 599606680 /nfs/dbraw/zinc/60/66/80/599606680.db2.gz QTJYXTSWILRYGL-NSHDSACASA-N -1 3 353.407 3.028 20 0 FGADHM CC(C)(C)c1ncc(C=CC(=O)Oc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000819965852 599620499 /nfs/dbraw/zinc/62/04/99/599620499.db2.gz PNSGCRGXSZBUNW-CMDGGOBGSA-N -1 3 355.423 3.240 20 0 FGADHM CCO[C@@H]1C[C@@H](OC(=O)c2cccc(-c3nnn[n-]3)c2)C12CCCCC2 ZINC000821367235 599626121 /nfs/dbraw/zinc/62/61/21/599626121.db2.gz DGFLABZFOKBSPX-HZPDHXFCSA-N -1 3 356.426 3.151 20 0 FGADHM CCO[C@@H]1C[C@@H](OC(=O)c2cccc(-c3nn[n-]n3)c2)C12CCCCC2 ZINC000821367235 599626122 /nfs/dbraw/zinc/62/61/22/599626122.db2.gz DGFLABZFOKBSPX-HZPDHXFCSA-N -1 3 356.426 3.151 20 0 FGADHM O=C(Cc1ccccc1F)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000823114792 599633009 /nfs/dbraw/zinc/63/30/09/599633009.db2.gz FFTFNNOYNWLYEY-UHFFFAOYSA-N -1 3 365.290 3.206 20 0 FGADHM O=C(Cc1ccccc1F)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823114792 599633010 /nfs/dbraw/zinc/63/30/10/599633010.db2.gz FFTFNNOYNWLYEY-UHFFFAOYSA-N -1 3 365.290 3.206 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)Nc1cc(Cl)c(Cl)cn1 ZINC000822929728 599634854 /nfs/dbraw/zinc/63/48/54/599634854.db2.gz XMVHOCFWMNUTLB-AATRIKPKSA-N -1 3 361.192 3.220 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)Nc1cc(Cl)c(Cl)cn1 ZINC000822929728 599634855 /nfs/dbraw/zinc/63/48/55/599634855.db2.gz XMVHOCFWMNUTLB-AATRIKPKSA-N -1 3 361.192 3.220 20 0 FGADHM CCN(Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)c1cccc(C)c1 ZINC000821231155 599636772 /nfs/dbraw/zinc/63/67/72/599636772.db2.gz WKJRNHYZVZCNSB-UHFFFAOYSA-N -1 3 361.409 3.252 20 0 FGADHM CCN(Cc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)c1cccc(C)c1 ZINC000821231155 599636773 /nfs/dbraw/zinc/63/67/73/599636773.db2.gz WKJRNHYZVZCNSB-UHFFFAOYSA-N -1 3 361.409 3.252 20 0 FGADHM C[C@@H](OC(=O)C1CCCCCCC1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000820488175 599662926 /nfs/dbraw/zinc/66/29/26/599662926.db2.gz LZFPSDDTRCXKAJ-CYBMUJFWSA-N -1 3 371.441 3.097 20 0 FGADHM C[C@@H](OC(=O)C1CCCCCCC1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000820488175 599662927 /nfs/dbraw/zinc/66/29/27/599662927.db2.gz 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ZINC000826244142 607432116 /nfs/dbraw/zinc/43/21/16/607432116.db2.gz ICSFZYVXJJWDAA-UHFFFAOYSA-N -1 3 355.364 3.226 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(CC(C)(C)C)CC(F)(F)F ZINC000826244142 607432117 /nfs/dbraw/zinc/43/21/17/607432117.db2.gz ICSFZYVXJJWDAA-UHFFFAOYSA-N -1 3 355.364 3.226 20 0 FGADHM CC(C)c1cccc(O[C@@H](C)C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000824737585 607432868 /nfs/dbraw/zinc/43/28/68/607432868.db2.gz ILBPKTMHGAQUSN-AWEZNQCLSA-N -1 3 365.437 3.420 20 0 FGADHM CC(C)c1cccc(O[C@@H](C)C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000824737585 607432870 /nfs/dbraw/zinc/43/28/70/607432870.db2.gz ILBPKTMHGAQUSN-AWEZNQCLSA-N -1 3 365.437 3.420 20 0 FGADHM COc1ccccc1C/C(C)=C/C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826219882 607439360 /nfs/dbraw/zinc/43/93/60/607439360.db2.gz USNJISROYHHQOJ-BUHFOSPRSA-N -1 3 363.421 3.027 20 0 FGADHM COc1ccccc1C/C(C)=C/C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826219882 607439362 /nfs/dbraw/zinc/43/93/62/607439362.db2.gz USNJISROYHHQOJ-BUHFOSPRSA-N -1 3 363.421 3.027 20 0 FGADHM CC[C@@H](C)Oc1ccc(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000825075517 607439709 /nfs/dbraw/zinc/43/97/09/607439709.db2.gz OYPJABVARPRZDJ-CYBMUJFWSA-N -1 3 351.410 3.321 20 0 FGADHM CC[C@@H](C)Oc1ccc(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825075517 607439711 /nfs/dbraw/zinc/43/97/11/607439711.db2.gz OYPJABVARPRZDJ-CYBMUJFWSA-N -1 3 351.410 3.321 20 0 FGADHM CC(C)NC(=O)Nc1ccc(CN[C@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC000736476886 600423365 /nfs/dbraw/zinc/42/33/65/600423365.db2.gz WTMCZFZNABWTRJ-KRWDZBQOSA-N -1 3 359.401 3.271 20 0 FGADHM O=C([O-])c1cccc(OCCN2CC=C(c3c[nH]c4ncccc34)CC2)c1 ZINC000740227732 600431110 /nfs/dbraw/zinc/43/11/10/600431110.db2.gz RJWBRAFSWXCEER-UHFFFAOYSA-N -1 3 363.417 3.429 20 0 FGADHM Cc1ccc([C@H]2[C@H](C)CCCN2CC(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC000652422258 600440858 /nfs/dbraw/zinc/44/08/58/600440858.db2.gz VQRAZOUZEBKHFV-OXQOHEQNSA-N -1 3 358.482 3.091 20 0 FGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1ccc(C(F)(F)F)nc1Cl ZINC000823363601 607447116 /nfs/dbraw/zinc/44/71/16/607447116.db2.gz IFKGLNGVYWNWTO-UHFFFAOYSA-N -1 3 368.706 3.186 20 0 FGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1ccc(C(F)(F)F)nc1Cl ZINC000823363601 607447117 /nfs/dbraw/zinc/44/71/17/607447117.db2.gz IFKGLNGVYWNWTO-UHFFFAOYSA-N -1 3 368.706 3.186 20 0 FGADHM O=C(N[C@@H]1CCCc2ccccc21)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826430461 607447231 /nfs/dbraw/zinc/44/72/31/607447231.db2.gz CNSIZHDHTKGSCB-GOSISDBHSA-N -1 3 374.448 3.233 20 0 FGADHM O=C(N[C@@H]1CCCc2ccccc21)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826430461 607447232 /nfs/dbraw/zinc/44/72/32/607447232.db2.gz CNSIZHDHTKGSCB-GOSISDBHSA-N -1 3 374.448 3.233 20 0 FGADHM CC(C)[C@H](C(=O)Nc1ccc(OCCCC(=O)[O-])cc1)N1CCCCC1 ZINC000736349737 600496225 /nfs/dbraw/zinc/49/62/25/600496225.db2.gz NVAOVWVCZNDVOZ-LJQANCHMSA-N -1 3 362.470 3.379 20 0 FGADHM Cc1cccc2c1CC[C@H]2NC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826305388 607455884 /nfs/dbraw/zinc/45/58/84/607455884.db2.gz UXOVTINFPIHGFL-GOSISDBHSA-N -1 3 374.448 3.151 20 0 FGADHM Cc1cccc2c1CC[C@H]2NC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826305388 607455886 /nfs/dbraw/zinc/45/58/86/607455886.db2.gz UXOVTINFPIHGFL-GOSISDBHSA-N -1 3 374.448 3.151 20 0 FGADHM CCCN1CCC[C@H]1C(=O)NC[C@@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000737029493 600602906 /nfs/dbraw/zinc/60/29/06/600602906.db2.gz ADDRGLOYWOURMC-UXHICEINSA-N -1 3 368.477 3.074 20 0 FGADHM O=C(NCc1coc2ccccc12)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826443362 607457987 /nfs/dbraw/zinc/45/79/87/607457987.db2.gz LZQYOSAZTWZGQT-UHFFFAOYSA-N -1 3 374.404 3.101 20 0 FGADHM O=C(NCc1coc2ccccc12)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826443362 607457988 /nfs/dbraw/zinc/45/79/88/607457988.db2.gz LZQYOSAZTWZGQT-UHFFFAOYSA-N -1 3 374.404 3.101 20 0 FGADHM CCN1C(=O)c2ccc(Cl)cc2N[C@@H]1c1ccc(-c2nnn[n-]2)cc1F ZINC000821243032 607461165 /nfs/dbraw/zinc/46/11/65/607461165.db2.gz YLPNDTSYRXBLGP-INIZCTEOSA-N -1 3 372.791 3.246 20 0 FGADHM CCN1C(=O)c2ccc(Cl)cc2N[C@@H]1c1ccc(-c2nn[n-]n2)cc1F ZINC000821243032 607461167 /nfs/dbraw/zinc/46/11/67/607461167.db2.gz YLPNDTSYRXBLGP-INIZCTEOSA-N -1 3 372.791 3.246 20 0 FGADHM CC(C)[C@@H](CN[C@H](C(=O)[O-])c1ccccc1F)NC(=O)OC(C)(C)C ZINC000826688103 600750136 /nfs/dbraw/zinc/75/01/36/600750136.db2.gz VAWMLQHGYNSFCF-CABCVRRESA-N -1 3 354.422 3.090 20 0 FGADHM CN(C)Cc1c2ccccc2oc1C(=O)NC[C@@H](C(=O)[O-])c1ccccc1 ZINC000830619697 600779494 /nfs/dbraw/zinc/77/94/94/600779494.db2.gz IPNOSZCPWIJOAR-MRXNPFEDSA-N -1 3 366.417 3.093 20 0 FGADHM COc1ccc(CN(Cc2ccc(F)cc2F)C2CC2)cc1-c1nnn[n-]1 ZINC000826193846 607486234 /nfs/dbraw/zinc/48/62/34/607486234.db2.gz RRCGJMSGFQYTRJ-UHFFFAOYSA-N -1 3 371.391 3.318 20 0 FGADHM COc1ccc(CN(Cc2ccc(F)cc2F)C2CC2)cc1-c1nn[n-]n1 ZINC000826193846 607486235 /nfs/dbraw/zinc/48/62/35/607486235.db2.gz RRCGJMSGFQYTRJ-UHFFFAOYSA-N -1 3 371.391 3.318 20 0 FGADHM Cc1cc(C)n(-c2cccc(NCc3ccc(-c4nnn[n-]4)cc3F)c2)n1 ZINC000822197825 607488952 /nfs/dbraw/zinc/48/89/52/607488952.db2.gz QLBUHQTYKQUUDW-UHFFFAOYSA-N -1 3 363.400 3.420 20 0 FGADHM Cc1cc(C)n(-c2cccc(NCc3ccc(-c4nn[n-]n4)cc3F)c2)n1 ZINC000822197825 607488953 /nfs/dbraw/zinc/48/89/53/607488953.db2.gz QLBUHQTYKQUUDW-UHFFFAOYSA-N -1 3 363.400 3.420 20 0 FGADHM C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)c1ccc(C(=O)[O-])cc1 ZINC000828296068 601108746 /nfs/dbraw/zinc/10/87/46/601108746.db2.gz SVAJVCRAYLDXOS-INIZCTEOSA-N -1 3 352.434 3.121 20 0 FGADHM Cc1oc(CN(C)C2CCN(C(=O)OC(C)(C)C)CC2)cc1C(=O)[O-] ZINC000833025890 601114157 /nfs/dbraw/zinc/11/41/57/601114157.db2.gz VQNUDKGXRRADIK-UHFFFAOYSA-N -1 3 352.431 3.118 20 0 FGADHM N=C(COc1cccc(C(=O)[O-])c1)NOCc1cc(-c2ccccc2)no1 ZINC000833088483 601352664 /nfs/dbraw/zinc/35/26/64/601352664.db2.gz IWCYLJHFWVRRRA-UHFFFAOYSA-N -1 3 367.361 3.117 20 0 FGADHM CCc1oc(C(=O)[O-])cc1CN1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000830368701 601414869 /nfs/dbraw/zinc/41/48/69/601414869.db2.gz AASIYIGLLQLITM-UHFFFAOYSA-N -1 3 366.458 3.277 20 0 FGADHM O=C([O-])c1ccc(OC[C@@H](O)CN2CCCC[C@H]2c2ccc(F)cc2)cc1 ZINC000833321889 601452415 /nfs/dbraw/zinc/45/24/15/601452415.db2.gz QWMASIFWDUARMF-ICSRJNTNSA-N -1 3 373.424 3.491 20 0 FGADHM COc1ccc(NC(=O)[C@H](c2ccccc2)N2C[C@H](C)[C@H](C(=O)[O-])C2)cc1 ZINC000832394543 601534298 /nfs/dbraw/zinc/53/42/98/601534298.db2.gz SILHXCKVPUBGBL-KYNGSXCRSA-N -1 3 368.433 3.028 20 0 FGADHM Cc1sc(C(=O)[O-])cc1CN1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000833032752 601622710 /nfs/dbraw/zinc/62/27/10/601622710.db2.gz NGSFMMXDDUPVRV-CYBMUJFWSA-N -1 3 368.499 3.491 20 0 FGADHM Cc1sc(C(=O)[O-])cc1CN1CCC(C(=O)NC2CCCCC2)CC1 ZINC000833032716 601623447 /nfs/dbraw/zinc/62/34/47/601623447.db2.gz MUGAZGQOMLRYET-UHFFFAOYSA-N -1 3 364.511 3.416 20 0 FGADHM CCC[C@H](C)NC(=O)[C@H]1CCCN(Cc2ccc(C(=O)[O-])c(F)c2)C1 ZINC000829216057 601625617 /nfs/dbraw/zinc/62/56/17/601625617.db2.gz IXTGTNSJWSAMMH-ZFWWWQNUSA-N -1 3 350.434 3.041 20 0 FGADHM CN(C[C@@H]1CCN(Cc2ccc(C(=O)[O-])c(F)c2)C1)C(=O)OC(C)(C)C ZINC000830717548 601629258 /nfs/dbraw/zinc/62/92/58/601629258.db2.gz CNNHGKYCBTZOEE-AWEZNQCLSA-N -1 3 366.433 3.213 20 0 FGADHM Cc1sc(C(=O)[O-])cc1CN1CCC(OC[C@H]2CCCCO2)CC1 ZINC000652436291 601649412 /nfs/dbraw/zinc/64/94/12/601649412.db2.gz CVTAKLRVDKJYJA-MRXNPFEDSA-N -1 3 353.484 3.305 20 0 FGADHM C[C@H](C(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1)C1CCCC1 ZINC000825994807 601732132 /nfs/dbraw/zinc/73/21/32/601732132.db2.gz KLHVQDCDAWLHAC-HRAATJIYSA-N -1 3 358.482 3.048 20 0 FGADHM Cc1ccc(C(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)cc1C ZINC000832911201 601732281 /nfs/dbraw/zinc/73/22/81/601732281.db2.gz IGYZREIHTKWGFY-JOCHJYFZSA-N -1 3 366.461 3.153 20 0 FGADHM C[C@H](C(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1)c1ccsc1 ZINC000825995170 601732338 /nfs/dbraw/zinc/73/23/38/601732338.db2.gz NZVSYUCZLOKYEC-MGPUTAFESA-N -1 3 372.490 3.087 20 0 FGADHM CN(C[C@@H](O)c1cccc(F)c1)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830713082 601900478 /nfs/dbraw/zinc/90/04/78/601900478.db2.gz ALQDYQHKTNXBHG-ZBFHGGJFSA-N -1 3 357.303 3.034 20 0 FGADHM CN(C[C@H](O)c1cccc(F)c1)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830713080 601900557 /nfs/dbraw/zinc/90/05/57/601900557.db2.gz ALQDYQHKTNXBHG-GOEBONIOSA-N -1 3 357.303 3.034 20 0 FGADHM C[C@]1(C(=O)[O-])CCN(Cc2coc(-c3ccc(Br)cc3)n2)C1 ZINC000263100726 601922937 /nfs/dbraw/zinc/92/29/37/601922937.db2.gz IUMTYHFKKMEPFL-INIZCTEOSA-N -1 3 365.227 3.401 20 0 FGADHM O=C([O-])c1ccc(CN2CCC(C(=O)Nc3ccc(F)cc3)CC2)s1 ZINC000833315447 601948825 /nfs/dbraw/zinc/94/88/25/601948825.db2.gz VKOVUVMWOHAOKE-UHFFFAOYSA-N -1 3 362.426 3.436 20 0 FGADHM COc1cc(OC)cc([C@@H](NCc2ccc(F)c(Cl)c2)C(=O)[O-])c1 ZINC000832056872 602169781 /nfs/dbraw/zinc/16/97/81/602169781.db2.gz JLDBUWQNPIODNV-MRXNPFEDSA-N -1 3 353.777 3.412 20 0 FGADHM C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(Cc2ccoc2C(=O)[O-])C1 ZINC000827688277 602245009 /nfs/dbraw/zinc/24/50/09/602245009.db2.gz SYTIBGOIAVZQOS-OLZOCXBDSA-N -1 3 352.431 3.103 20 0 FGADHM CN(CC1CCN(C[C@@H](O)c2cccc(C(F)(F)F)c2)CC1)C(=O)[O-] ZINC000739666707 602382683 /nfs/dbraw/zinc/38/26/83/602382683.db2.gz UOXHTYIGJFONGF-OAHLLOKOSA-N -1 3 360.376 3.061 20 0 FGADHM C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2ccc(F)c(NC(=O)[O-])c2)C1 ZINC000739060685 602486194 /nfs/dbraw/zinc/48/61/94/602486194.db2.gz URSAYIAGEBWDJD-CJNGLKHVSA-N -1 3 371.412 3.481 20 0 FGADHM Cc1cccc(CN(CCN(C)C)C(=O)c2ccc(F)c(NC(=O)[O-])c2)c1 ZINC000740168274 602513199 /nfs/dbraw/zinc/51/31/99/602513199.db2.gz AHDDNKIFNRPKOX-UHFFFAOYSA-N -1 3 373.428 3.428 20 0 FGADHM CCN1CCC[C@@H](NC(=O)Nc2ccc(NC(=O)[O-])cc2C(F)(F)F)C1 ZINC000739454367 602598254 /nfs/dbraw/zinc/59/82/54/602598254.db2.gz KYDCVLBPOJJBIQ-LLVKDONJSA-N -1 3 374.363 3.401 20 0 FGADHM C[C@H]1CN(Cc2ccc(OCc3ccccn3)cc2)CC[C@H]1NC(=O)[O-] ZINC000739194128 602767473 /nfs/dbraw/zinc/76/74/73/602767473.db2.gz UUXDOBVIIWKRLJ-HNAYVOBHSA-N -1 3 355.438 3.139 20 0 FGADHM COc1ccc(CNC(=O)C[C@@H](C)C2CCCCC2)cc1-c1nnn[n-]1 ZINC000826196616 607585466 /nfs/dbraw/zinc/58/54/66/607585466.db2.gz IKQPJIRYGHJFOB-CYBMUJFWSA-N -1 3 357.458 3.098 20 0 FGADHM COc1ccc(CNC(=O)C[C@@H](C)C2CCCCC2)cc1-c1nn[n-]n1 ZINC000826196616 607585468 /nfs/dbraw/zinc/58/54/68/607585468.db2.gz IKQPJIRYGHJFOB-CYBMUJFWSA-N -1 3 357.458 3.098 20 0 FGADHM C[C@H]1CN(Cc2ccc(OCc3cccnc3)cc2)CC[C@@H]1NC(=O)[O-] ZINC000739191444 602783858 /nfs/dbraw/zinc/78/38/58/602783858.db2.gz OYWIWVLQJXFYRN-KXBFYZLASA-N -1 3 355.438 3.139 20 0 FGADHM CC(C)[C@@H](CNCc1c(Cl)n(C)nc1-c1ccccc1)NC(=O)[O-] ZINC000738794859 602928357 /nfs/dbraw/zinc/92/83/57/602928357.db2.gz SKKSYNZESHAQRH-CQSZACIVSA-N -1 3 350.850 3.122 20 0 FGADHM COc1ccc(COC(=O)C(C)(C)c2ccc(C)cc2)cc1-c1nnn[n-]1 ZINC000826204498 607605112 /nfs/dbraw/zinc/60/51/12/607605112.db2.gz NLFRPVGZAPPYSO-UHFFFAOYSA-N -1 3 366.421 3.205 20 0 FGADHM COc1ccc(COC(=O)C(C)(C)c2ccc(C)cc2)cc1-c1nn[n-]n1 ZINC000826204498 607605115 /nfs/dbraw/zinc/60/51/15/607605115.db2.gz NLFRPVGZAPPYSO-UHFFFAOYSA-N -1 3 366.421 3.205 20 0 FGADHM COc1ccc(COC(=O)C=C(C)c2cccc(F)c2)cc1-c1nnn[n-]1 ZINC000826204859 607606825 /nfs/dbraw/zinc/60/68/25/607606825.db2.gz BIJAALLOHOUDJX-XYOKQWHBSA-N -1 3 368.368 3.161 20 0 FGADHM COc1ccc(COC(=O)C=C(C)c2cccc(F)c2)cc1-c1nn[n-]n1 ZINC000826204859 607606826 /nfs/dbraw/zinc/60/68/26/607606826.db2.gz BIJAALLOHOUDJX-XYOKQWHBSA-N -1 3 368.368 3.161 20 0 FGADHM COc1cc2c(c(CNC[C@@H](NC(=O)[O-])c3ccccc3)c1)O[C@H](C)C2 ZINC000829124974 603175115 /nfs/dbraw/zinc/17/51/15/603175115.db2.gz OGPBNVLHZOEFQN-FZKQIMNGSA-N -1 3 356.422 3.117 20 0 FGADHM CC1CCC(N2CCN(C(=O)c3ccc(F)c(NC(=O)[O-])c3)CC2)CC1 ZINC000739089172 603400180 /nfs/dbraw/zinc/40/01/80/603400180.db2.gz YMAUHZJJFNOXLM-UHFFFAOYSA-N -1 3 363.433 3.252 20 0 FGADHM CN(CCC1CC1)C(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000825919214 607630546 /nfs/dbraw/zinc/63/05/46/607630546.db2.gz YAFIZHWDKVCFKP-UHFFFAOYSA-N -1 3 362.437 3.482 20 0 FGADHM C[C@@H](NC(=O)[O-])[C@@H]1CCCCN1Cc1ccc(SC(=O)N(C)C)cc1 ZINC000825192142 603733534 /nfs/dbraw/zinc/73/35/34/603733534.db2.gz CCZGEVPSNCPANE-CJNGLKHVSA-N -1 3 365.499 3.471 20 0 FGADHM Cc1ccc(NC(=S)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC000826291452 607648612 /nfs/dbraw/zinc/64/86/12/607648612.db2.gz GQAFIEPZOWCJLJ-UHFFFAOYSA-N -1 3 350.451 3.151 20 0 FGADHM Cc1ccc(NC(=S)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000826291452 607648613 /nfs/dbraw/zinc/64/86/13/607648613.db2.gz GQAFIEPZOWCJLJ-UHFFFAOYSA-N -1 3 350.451 3.151 20 0 FGADHM Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000826249542 607653819 /nfs/dbraw/zinc/65/38/19/607653819.db2.gz HXTYMSGRZVZHIH-UHFFFAOYSA-N -1 3 373.420 3.230 20 0 FGADHM Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000826249542 607653821 /nfs/dbraw/zinc/65/38/21/607653821.db2.gz HXTYMSGRZVZHIH-UHFFFAOYSA-N -1 3 373.420 3.230 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(Cc1ccc(F)cc1F)C1CC1 ZINC000826244666 607660420 /nfs/dbraw/zinc/66/04/20/607660420.db2.gz ZXITYBVXQFIPJV-UHFFFAOYSA-N -1 3 369.375 3.258 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(Cc1ccc(F)cc1F)C1CC1 ZINC000826244666 607660421 /nfs/dbraw/zinc/66/04/21/607660421.db2.gz ZXITYBVXQFIPJV-UHFFFAOYSA-N -1 3 369.375 3.258 20 0 FGADHM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)c2oc3ccccc3c2CN(C)C)C1 ZINC000825252481 604228567 /nfs/dbraw/zinc/22/85/67/604228567.db2.gz DXKSUGIAVYMQEX-ZIAGYGMSSA-N -1 3 373.453 3.003 20 0 FGADHM Cc1csc([C@H]2CCCCN2C(=O)c2ccc(-c3nnn[n-]3)cc2C)n1 ZINC000826320128 607684043 /nfs/dbraw/zinc/68/40/43/607684043.db2.gz HQIFMFSOYKVZGJ-OAHLLOKOSA-N -1 3 368.466 3.307 20 0 FGADHM Cc1csc([C@H]2CCCCN2C(=O)c2ccc(-c3nn[n-]n3)cc2C)n1 ZINC000826320128 607684045 /nfs/dbraw/zinc/68/40/45/607684045.db2.gz HQIFMFSOYKVZGJ-OAHLLOKOSA-N -1 3 368.466 3.307 20 0 FGADHM CCC[C@H](C)NC(=O)[C@H]1CCCN([C@H](C)c2cc(C)c(C(=O)[O-])o2)C1 ZINC000829216541 604383506 /nfs/dbraw/zinc/38/35/06/604383506.db2.gz NTHSJQIRUJTCQW-ZNMIVQPWSA-N -1 3 350.459 3.364 20 0 FGADHM Cc1ccnc(-c2ccc(NC(=O)c3ccc(-c4nnn[n-]4)cc3C)cc2)n1 ZINC000826308812 607692894 /nfs/dbraw/zinc/69/28/94/607692894.db2.gz QWYOKNKGJKAZHK-UHFFFAOYSA-N -1 3 371.404 3.193 20 0 FGADHM Cc1ccnc(-c2ccc(NC(=O)c3ccc(-c4nn[n-]n4)cc3C)cc2)n1 ZINC000826308812 607692895 /nfs/dbraw/zinc/69/28/95/607692895.db2.gz QWYOKNKGJKAZHK-UHFFFAOYSA-N -1 3 371.404 3.193 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CC[C@@H](c2ccccc2)[C@H](C)C1 ZINC000826244976 607695875 /nfs/dbraw/zinc/69/58/75/607695875.db2.gz JRMIRIPCAFSKFR-CRAIPNDOSA-N -1 3 361.449 3.441 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CC[C@@H](c2ccccc2)[C@H](C)C1 ZINC000826244976 607695876 /nfs/dbraw/zinc/69/58/76/607695876.db2.gz JRMIRIPCAFSKFR-CRAIPNDOSA-N -1 3 361.449 3.441 20 0 FGADHM O=C(Nc1ccc(OCC2CCCCC2)cc1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826454608 607715392 /nfs/dbraw/zinc/71/53/92/607715392.db2.gz CSRAYUHTOYXTRK-UHFFFAOYSA-N -1 3 366.425 3.406 20 0 FGADHM O=C(Nc1ccc(OCC2CCCCC2)cc1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826454608 607715394 /nfs/dbraw/zinc/71/53/94/607715394.db2.gz CSRAYUHTOYXTRK-UHFFFAOYSA-N -1 3 366.425 3.406 20 0 FGADHM O=C([O-])Nc1ccc(CNCCOc2ncc(Cl)cc2Cl)cn1 ZINC000832842224 604836672 /nfs/dbraw/zinc/83/66/72/604836672.db2.gz RDCCAVJALJXJFI-UHFFFAOYSA-N -1 3 357.197 3.042 20 0 FGADHM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)[C@H]2CCCN2Cc2ccccc2)C1 ZINC000679102948 604882578 /nfs/dbraw/zinc/88/25/78/604882578.db2.gz LIOXODSUHKWKJN-ZWKOTPCHSA-N -1 3 358.482 3.000 20 0 FGADHM C[C@H](CC(=O)OCc1ccccc1-c1nnn[n-]1)c1ccc(F)cc1F ZINC000824391775 607721810 /nfs/dbraw/zinc/72/18/10/607721810.db2.gz KMGOSDVBBUNVMQ-LLVKDONJSA-N -1 3 358.348 3.382 20 0 FGADHM C[C@H](CC(=O)OCc1ccccc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC000824391775 607721812 /nfs/dbraw/zinc/72/18/12/607721812.db2.gz KMGOSDVBBUNVMQ-LLVKDONJSA-N -1 3 358.348 3.382 20 0 FGADHM CC[C@H](C)OCC(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000825074354 607741253 /nfs/dbraw/zinc/74/12/53/607741253.db2.gz GWDGEQFEDGIEOA-LBPRGKRZSA-N -1 3 371.466 3.027 20 0 FGADHM C[C@@H]1CC[C@@H](NC(=O)NCc2ccc(-c3nnn[n-]3)cc2)c2ccccc21 ZINC000824915324 607755147 /nfs/dbraw/zinc/75/51/47/607755147.db2.gz CTPZXFZOMNTYMB-FZKQIMNGSA-N -1 3 362.437 3.305 20 0 FGADHM C[C@@H]1CC[C@@H](NC(=O)NCc2ccc(-c3nn[n-]n3)cc2)c2ccccc21 ZINC000824915324 607755148 /nfs/dbraw/zinc/75/51/48/607755148.db2.gz CTPZXFZOMNTYMB-FZKQIMNGSA-N -1 3 362.437 3.305 20 0 FGADHM CC=C(C=CC(=O)Nc1ccc(NC(=O)OCC)c(-c2nnn[n-]2)c1)CC ZINC000825029721 607761915 /nfs/dbraw/zinc/76/19/15/607761915.db2.gz YPZMOBQUOBHUBE-SLKLWNSISA-N -1 3 370.413 3.286 20 0 FGADHM CC=C(C=CC(=O)Nc1ccc(NC(=O)OCC)c(-c2nn[n-]n2)c1)CC ZINC000825029721 607761916 /nfs/dbraw/zinc/76/19/16/607761916.db2.gz YPZMOBQUOBHUBE-SLKLWNSISA-N -1 3 370.413 3.286 20 0 FGADHM CSc1nc(C2CC2)cc(C(=O)N[C@@H](C)CC(C)C)c1-c1nnn[n-]1 ZINC000826231777 607763655 /nfs/dbraw/zinc/76/36/55/607763655.db2.gz YVVVWVOHCHMONL-JTQLQIEISA-N -1 3 360.487 3.025 20 0 FGADHM O=C([O-])N[C@H]1C[C@@H](NCc2cccc(N3CCOC3=O)c2)c2ccccc21 ZINC000834156812 605794862 /nfs/dbraw/zinc/79/48/62/605794862.db2.gz DJSWHRPDUNPWDL-MSOLQXFVSA-N -1 3 367.405 3.187 20 0 FGADHM Cc1cc(N2CCC[C@H](NCc3cc(C(=O)[O-])ccc3Cl)C2)nc(C)n1 ZINC000833746046 605832709 /nfs/dbraw/zinc/83/27/09/605832709.db2.gz LGEWWTDKRKVCCV-INIZCTEOSA-N -1 3 374.872 3.204 20 0 FGADHM Cc1nc(NC(=O)[O-])sc1-c1nc(-c2ccc(CN(C)C)cc2)no1 ZINC000833914176 605941532 /nfs/dbraw/zinc/94/15/32/605941532.db2.gz RFFZDUSOKOIZGQ-UHFFFAOYSA-N -1 3 359.411 3.320 20 0 FGADHM C[C@@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@@H](C)C2)c1cccnc1 ZINC000820727162 606053587 /nfs/dbraw/zinc/05/35/87/606053587.db2.gz HYVFNSPPVDLFHB-GHMZBOCLSA-N -1 3 368.466 3.190 20 0 FGADHM C[C@@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@@H](C)C2)c1cccnc1 ZINC000820727162 606053591 /nfs/dbraw/zinc/05/35/91/606053591.db2.gz HYVFNSPPVDLFHB-GHMZBOCLSA-N -1 3 368.466 3.190 20 0 FGADHM Clc1cccc(C2(CNc3ccc(-c4nnn[n-]4)nc3)CCOCC2)c1 ZINC000822586101 606057480 /nfs/dbraw/zinc/05/74/80/606057480.db2.gz SAFYOIZKVAWHHA-UHFFFAOYSA-N -1 3 370.844 3.075 20 0 FGADHM Clc1cccc(C2(CNc3ccc(-c4nn[n-]n4)nc3)CCOCC2)c1 ZINC000822586101 606057485 /nfs/dbraw/zinc/05/74/85/606057485.db2.gz SAFYOIZKVAWHHA-UHFFFAOYSA-N -1 3 370.844 3.075 20 0 FGADHM COC1CCC(CNc2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)CC1 ZINC000821679641 606103231 /nfs/dbraw/zinc/10/32/31/606103231.db2.gz GFERJAGVPLWDDQ-UHFFFAOYSA-N -1 3 374.395 3.310 20 0 FGADHM COC1CCC(CNc2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)CC1 ZINC000821679641 606103233 /nfs/dbraw/zinc/10/32/33/606103233.db2.gz GFERJAGVPLWDDQ-UHFFFAOYSA-N -1 3 374.395 3.310 20 0 FGADHM Cc1ccc(C(=O)N(C)c2cccc(-c3nnn[n-]3)c2)cc1Br ZINC000822226220 606122620 /nfs/dbraw/zinc/12/26/20/606122620.db2.gz IIUVPRRAAIJEHA-UHFFFAOYSA-N -1 3 372.226 3.214 20 0 FGADHM Cc1ccc(C(=O)N(C)c2cccc(-c3nn[n-]n3)c2)cc1Br ZINC000822226220 606122621 /nfs/dbraw/zinc/12/26/21/606122621.db2.gz IIUVPRRAAIJEHA-UHFFFAOYSA-N -1 3 372.226 3.214 20 0 FGADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1c(Cl)cccc1Cl ZINC000821608411 606136311 /nfs/dbraw/zinc/13/63/11/606136311.db2.gz GBVOCQFNOZIXKS-UHFFFAOYSA-N -1 3 362.220 3.446 20 0 FGADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1c(Cl)cccc1Cl ZINC000821608411 606136313 /nfs/dbraw/zinc/13/63/13/606136313.db2.gz GBVOCQFNOZIXKS-UHFFFAOYSA-N -1 3 362.220 3.446 20 0 FGADHM COc1ccc([C@H](C)CC(=O)OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000821777847 606150781 /nfs/dbraw/zinc/15/07/81/606150781.db2.gz MXOVXHDXAIOFRO-CYBMUJFWSA-N -1 3 352.394 3.112 20 0 FGADHM COc1ccc([C@H](C)CC(=O)OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000821777847 606150782 /nfs/dbraw/zinc/15/07/82/606150782.db2.gz MXOVXHDXAIOFRO-CYBMUJFWSA-N -1 3 352.394 3.112 20 0 FGADHM Cc1c(COC(C)(C)C)cccc1NC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000822029075 606150873 /nfs/dbraw/zinc/15/08/73/606150873.db2.gz VBQNHCFJGHNUTD-UHFFFAOYSA-N -1 3 366.425 3.138 20 0 FGADHM Cc1c(COC(C)(C)C)cccc1NC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000822029075 606150874 /nfs/dbraw/zinc/15/08/74/606150874.db2.gz VBQNHCFJGHNUTD-UHFFFAOYSA-N -1 3 366.425 3.138 20 0 FGADHM Cc1ncoc1C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822482328 606152132 /nfs/dbraw/zinc/15/21/32/606152132.db2.gz PUQKGQUIAWJYLY-UHFFFAOYSA-N -1 3 362.349 3.208 20 0 FGADHM Cc1ncoc1C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822482328 606152133 /nfs/dbraw/zinc/15/21/33/606152133.db2.gz PUQKGQUIAWJYLY-UHFFFAOYSA-N -1 3 362.349 3.208 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C/C=C/c1ccc(F)cc1 ZINC000821756316 606152144 /nfs/dbraw/zinc/15/21/44/606152144.db2.gz NOFNHFBJBKVCHX-NSCUHMNNSA-N -1 3 353.357 3.056 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C/C=C/c1ccc(F)cc1 ZINC000821756316 606152145 /nfs/dbraw/zinc/15/21/45/606152145.db2.gz NOFNHFBJBKVCHX-NSCUHMNNSA-N -1 3 353.357 3.056 20 0 FGADHM CCc1ccc(C(C)(C)CNC(=O)c2sccc2-c2nnn[n-]2)cc1 ZINC000821476028 606189905 /nfs/dbraw/zinc/18/99/05/606189905.db2.gz DWLJRPMOHPJOSE-UHFFFAOYSA-N -1 3 355.467 3.198 20 0 FGADHM CCc1ccc(C(C)(C)CNC(=O)c2sccc2-c2nn[n-]n2)cc1 ZINC000821476028 606189906 /nfs/dbraw/zinc/18/99/06/606189906.db2.gz DWLJRPMOHPJOSE-UHFFFAOYSA-N -1 3 355.467 3.198 20 0 FGADHM CC(C)(NC(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccc(F)c(F)c1 ZINC000819988241 606193772 /nfs/dbraw/zinc/19/37/72/606193772.db2.gz VAVGVJLDQFVQIR-UHFFFAOYSA-N -1 3 358.352 3.202 20 0 FGADHM CC(C)(NC(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccc(F)c(F)c1 ZINC000819988241 606193773 /nfs/dbraw/zinc/19/37/73/606193773.db2.gz VAVGVJLDQFVQIR-UHFFFAOYSA-N -1 3 358.352 3.202 20 0 FGADHM Clc1cc(-c2nnn[n-]2)cnc1N1CCSC2(CCCCC2)C1 ZINC000822567520 606200668 /nfs/dbraw/zinc/20/06/68/606200668.db2.gz CQCBKOHMELFCIU-UHFFFAOYSA-N -1 3 350.879 3.171 20 0 FGADHM Clc1cc(-c2nn[n-]n2)cnc1N1CCSC2(CCCCC2)C1 ZINC000822567520 606200670 /nfs/dbraw/zinc/20/06/70/606200670.db2.gz CQCBKOHMELFCIU-UHFFFAOYSA-N -1 3 350.879 3.171 20 0 FGADHM Cc1sc(NC(=O)c2occc2Br)c(-c2nnn[n-]2)c1C ZINC000822563466 606208807 /nfs/dbraw/zinc/20/88/07/606208807.db2.gz KFMWKOUMHWUPIK-UHFFFAOYSA-N -1 3 368.216 3.153 20 0 FGADHM Cc1sc(NC(=O)c2occc2Br)c(-c2nn[n-]n2)c1C ZINC000822563466 606208809 /nfs/dbraw/zinc/20/88/09/606208809.db2.gz KFMWKOUMHWUPIK-UHFFFAOYSA-N -1 3 368.216 3.153 20 0 FGADHM Fc1ccc(OC2CCN(c3ccc(F)cc3-c3nnn[n-]3)CC2)cc1 ZINC000822782720 606220459 /nfs/dbraw/zinc/22/04/59/606220459.db2.gz CWUZWSGPZYBFTA-UHFFFAOYSA-N -1 3 357.364 3.193 20 0 FGADHM Fc1ccc(OC2CCN(c3ccc(F)cc3-c3nn[n-]n3)CC2)cc1 ZINC000822782720 606220461 /nfs/dbraw/zinc/22/04/61/606220461.db2.gz CWUZWSGPZYBFTA-UHFFFAOYSA-N -1 3 357.364 3.193 20 0 FGADHM CC(C)CCCCCC(=O)O[C@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000820073916 606226670 /nfs/dbraw/zinc/22/66/70/606226670.db2.gz XATJHOMSJKOOGM-CQSZACIVSA-N -1 3 373.457 3.343 20 0 FGADHM CC(C)CCCCCC(=O)O[C@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000820073916 606226671 /nfs/dbraw/zinc/22/66/71/606226671.db2.gz XATJHOMSJKOOGM-CQSZACIVSA-N -1 3 373.457 3.343 20 0 FGADHM CC(C)c1ccccc1N[C@@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O ZINC000820198443 606243041 /nfs/dbraw/zinc/24/30/41/606243041.db2.gz VWVHADLWYCRSJQ-OAHLLOKOSA-N -1 3 368.466 3.269 20 0 FGADHM CC(C)c1ccccc1N[C@@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O ZINC000820198443 606243042 /nfs/dbraw/zinc/24/30/42/606243042.db2.gz VWVHADLWYCRSJQ-OAHLLOKOSA-N -1 3 368.466 3.269 20 0 FGADHM C[C@H](c1ccccc1)N(CC1CCC1)C(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000820571238 606256028 /nfs/dbraw/zinc/25/60/28/606256028.db2.gz WMPFHEDAOLLHKH-CQSZACIVSA-N -1 3 364.453 3.209 20 0 FGADHM C[C@H](c1ccccc1)N(CC1CCC1)C(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000820571238 606256030 /nfs/dbraw/zinc/25/60/30/606256030.db2.gz WMPFHEDAOLLHKH-CQSZACIVSA-N -1 3 364.453 3.209 20 0 FGADHM Cc1c(COC(C)(C)C)cccc1NC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000822029350 606260185 /nfs/dbraw/zinc/26/01/85/606260185.db2.gz XHRSKUGIRCTRPP-UHFFFAOYSA-N -1 3 368.441 3.081 20 0 FGADHM Cc1c(COC(C)(C)C)cccc1NC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000822029350 606260187 /nfs/dbraw/zinc/26/01/87/606260187.db2.gz XHRSKUGIRCTRPP-UHFFFAOYSA-N -1 3 368.441 3.081 20 0 FGADHM Cc1ccccc1OCCCC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000822366580 606263252 /nfs/dbraw/zinc/26/32/52/606263252.db2.gz NWMQFHHRYUWSIN-UHFFFAOYSA-N -1 3 355.373 3.112 20 0 FGADHM Cc1ccccc1OCCCC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000822366580 606263254 /nfs/dbraw/zinc/26/32/54/606263254.db2.gz NWMQFHHRYUWSIN-UHFFFAOYSA-N -1 3 355.373 3.112 20 0 FGADHM O=C(CSc1ccc(Cl)cc1)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000823066113 606265540 /nfs/dbraw/zinc/26/55/40/606265540.db2.gz MGWUXIFXHVQXGS-UHFFFAOYSA-N -1 3 363.805 3.390 20 0 FGADHM O=C(CSc1ccc(Cl)cc1)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000823066113 606265542 /nfs/dbraw/zinc/26/55/42/606265542.db2.gz MGWUXIFXHVQXGS-UHFFFAOYSA-N -1 3 363.805 3.390 20 0 FGADHM C[C@H](CCc1cccc(F)c1)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820254748 606266196 /nfs/dbraw/zinc/26/61/96/606266196.db2.gz WCCBBNZKNCTFSP-LLVKDONJSA-N -1 3 357.364 3.352 20 0 FGADHM C[C@H](CCc1cccc(F)c1)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820254748 606266198 /nfs/dbraw/zinc/26/61/98/606266198.db2.gz WCCBBNZKNCTFSP-LLVKDONJSA-N -1 3 357.364 3.352 20 0 FGADHM C[C@@H]1CCc2c(C(=O)Nc3ccc(F)cc3-c3nnn[n-]3)csc2C1 ZINC000820727340 606267972 /nfs/dbraw/zinc/26/79/72/606267972.db2.gz LAXQOVSWKCRLTM-SECBINFHSA-N -1 3 357.414 3.444 20 0 FGADHM C[C@@H]1CCc2c(C(=O)Nc3ccc(F)cc3-c3nn[n-]n3)csc2C1 ZINC000820727340 606267974 /nfs/dbraw/zinc/26/79/74/606267974.db2.gz LAXQOVSWKCRLTM-SECBINFHSA-N -1 3 357.414 3.444 20 0 FGADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N1Cc2ccccc2-c2ccccc2C1 ZINC000822631632 606284885 /nfs/dbraw/zinc/28/48/85/606284885.db2.gz BVQNAFAWFIOLRS-UHFFFAOYSA-N -1 3 370.416 3.028 20 0 FGADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N1Cc2ccccc2-c2ccccc2C1 ZINC000822631632 606284886 /nfs/dbraw/zinc/28/48/86/606284886.db2.gz BVQNAFAWFIOLRS-UHFFFAOYSA-N -1 3 370.416 3.028 20 0 FGADHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)N1CC2(CCCC2)c2ccccc21 ZINC000823009571 606294572 /nfs/dbraw/zinc/29/45/72/606294572.db2.gz NFCTXGBOKZIPEV-UHFFFAOYSA-N -1 3 374.448 3.137 20 0 FGADHM Cc1ccc(S[C@@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)c(C)c1 ZINC000822266805 606310566 /nfs/dbraw/zinc/31/05/66/606310566.db2.gz JNXZBUNMJALRMJ-CQSZACIVSA-N -1 3 371.491 3.443 20 0 FGADHM Cc1ccc(S[C@@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)c(C)c1 ZINC000822266805 606310567 /nfs/dbraw/zinc/31/05/67/606310567.db2.gz JNXZBUNMJALRMJ-CQSZACIVSA-N -1 3 371.491 3.443 20 0 FGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N1CCCc2c(F)cccc21 ZINC000823065785 606325732 /nfs/dbraw/zinc/32/57/32/606325732.db2.gz BOLQHQCNMKKDCT-UHFFFAOYSA-N -1 3 369.425 3.077 20 0 FGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N1CCCc2c(F)cccc21 ZINC000823065785 606325734 /nfs/dbraw/zinc/32/57/34/606325734.db2.gz BOLQHQCNMKKDCT-UHFFFAOYSA-N -1 3 369.425 3.077 20 0 FGADHM c1[nH]c(-c2nc(C(c3ccccc3)c3ccccc3)no2)cc1-c1nnn[n-]1 ZINC000823772753 606328542 /nfs/dbraw/zinc/32/85/42/606328542.db2.gz MYGBYVJKCSXRGH-UHFFFAOYSA-N -1 3 369.388 3.425 20 0 FGADHM c1[nH]c(-c2nc(C(c3ccccc3)c3ccccc3)no2)cc1-c1nn[n-]n1 ZINC000823772753 606328544 /nfs/dbraw/zinc/32/85/44/606328544.db2.gz MYGBYVJKCSXRGH-UHFFFAOYSA-N -1 3 369.388 3.425 20 0 FGADHM CCCCS(=O)(=O)Oc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821077722 606332834 /nfs/dbraw/zinc/33/28/34/606332834.db2.gz RCURSBIYZKISEF-UHFFFAOYSA-N -1 3 374.422 3.168 20 0 FGADHM CCCCS(=O)(=O)Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821077722 606332836 /nfs/dbraw/zinc/33/28/36/606332836.db2.gz RCURSBIYZKISEF-UHFFFAOYSA-N -1 3 374.422 3.168 20 0 FGADHM C[C@@H](Oc1ccccc1F)C(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820548534 606344812 /nfs/dbraw/zinc/34/48/12/606344812.db2.gz BMNSFIJIBOKPLM-VXGBXAGGSA-N -1 3 356.357 3.078 20 0 FGADHM C[C@@H](Oc1ccccc1F)C(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820548534 606344814 /nfs/dbraw/zinc/34/48/14/606344814.db2.gz BMNSFIJIBOKPLM-VXGBXAGGSA-N -1 3 356.357 3.078 20 0 FGADHM C[C@@H](OC(=O)[C@H](C)Oc1ccccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000820548531 606344873 /nfs/dbraw/zinc/34/48/73/606344873.db2.gz BMNSFIJIBOKPLM-NEPJUHHUSA-N -1 3 356.357 3.078 20 0 FGADHM C[C@@H](OC(=O)[C@H](C)Oc1ccccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000820548531 606344875 /nfs/dbraw/zinc/34/48/75/606344875.db2.gz BMNSFIJIBOKPLM-NEPJUHHUSA-N -1 3 356.357 3.078 20 0 FGADHM CC(C)COc1ncccc1C(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820103400 606345361 /nfs/dbraw/zinc/34/53/61/606345361.db2.gz XXJHWIONQRSVBU-CYBMUJFWSA-N -1 3 367.409 3.215 20 0 FGADHM CC(C)COc1ncccc1C(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820103400 606345363 /nfs/dbraw/zinc/34/53/63/606345363.db2.gz XXJHWIONQRSVBU-CYBMUJFWSA-N -1 3 367.409 3.215 20 0 FGADHM C[C@@H](OC(=O)c1cnn(Cc2ccccc2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820518801 606348195 /nfs/dbraw/zinc/34/81/95/606348195.db2.gz LBVSFOJFTFIRKH-CQSZACIVSA-N -1 3 374.404 3.030 20 0 FGADHM C[C@@H](OC(=O)c1cnn(Cc2ccccc2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820518801 606348197 /nfs/dbraw/zinc/34/81/97/606348197.db2.gz LBVSFOJFTFIRKH-CQSZACIVSA-N -1 3 374.404 3.030 20 0 FGADHM COc1ccc(Cl)cc1CC(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821824050 606348248 /nfs/dbraw/zinc/34/82/48/606348248.db2.gz FSWFNQJASLGEJN-NSHDSACASA-N -1 3 372.812 3.376 20 0 FGADHM COc1ccc(Cl)cc1CC(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821824050 606348250 /nfs/dbraw/zinc/34/82/50/606348250.db2.gz FSWFNQJASLGEJN-NSHDSACASA-N -1 3 372.812 3.376 20 0 FGADHM CCSc1ccc(C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000821461475 606351868 /nfs/dbraw/zinc/35/18/68/606351868.db2.gz PGXKIOBREXXMGS-LLVKDONJSA-N -1 3 355.423 3.292 20 0 FGADHM CCSc1ccc(C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000821461475 606351870 /nfs/dbraw/zinc/35/18/70/606351870.db2.gz PGXKIOBREXXMGS-LLVKDONJSA-N -1 3 355.423 3.292 20 0 FGADHM C[C@H](OC(=O)c1ccc(Cn2cccn2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820512048 606354578 /nfs/dbraw/zinc/35/45/78/606354578.db2.gz GCWZCMAPSGFOLF-AWEZNQCLSA-N -1 3 374.404 3.030 20 0 FGADHM C[C@H](OC(=O)c1ccc(Cn2cccn2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820512048 606354580 /nfs/dbraw/zinc/35/45/80/606354580.db2.gz GCWZCMAPSGFOLF-AWEZNQCLSA-N -1 3 374.404 3.030 20 0 FGADHM C[C@@H](OC(=O)[C@@H](C)Cc1ccccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000820299217 606358622 /nfs/dbraw/zinc/35/86/22/606358622.db2.gz DZIQKFRMRDXWEJ-QWHCGFSZSA-N -1 3 354.385 3.489 20 0 FGADHM C[C@@H](OC(=O)[C@@H](C)Cc1ccccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000820299217 606358624 /nfs/dbraw/zinc/35/86/24/606358624.db2.gz DZIQKFRMRDXWEJ-QWHCGFSZSA-N -1 3 354.385 3.489 20 0 FGADHM C[C@H](OC(=O)[C@@H]1CCOc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000820488891 606359358 /nfs/dbraw/zinc/35/93/58/606359358.db2.gz WEXHCYXLLXEPBU-BLLLJJGKSA-N -1 3 350.378 3.037 20 0 FGADHM C[C@H](OC(=O)[C@@H]1CCOc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000820488891 606359360 /nfs/dbraw/zinc/35/93/60/606359360.db2.gz WEXHCYXLLXEPBU-BLLLJJGKSA-N -1 3 350.378 3.037 20 0 FGADHM Cc1ccccc1-n1cc(C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000822345971 606360700 /nfs/dbraw/zinc/36/07/00/606360700.db2.gz YHMAXNXZPBYONM-AWEZNQCLSA-N -1 3 374.404 3.279 20 0 FGADHM Cc1ccccc1-n1cc(C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000822345971 606360702 /nfs/dbraw/zinc/36/07/02/606360702.db2.gz YHMAXNXZPBYONM-AWEZNQCLSA-N -1 3 374.404 3.279 20 0 FGADHM COC(=O)[C@@H](OC(=O)C[C@@H](C)CC(C)(C)C)c1cccc(-c2nnn[n-]2)c1 ZINC000821646570 606371152 /nfs/dbraw/zinc/37/11/52/606371152.db2.gz KILHONVLLPFINW-WBMJQRKESA-N -1 3 374.441 3.086 20 0 FGADHM COC(=O)[C@@H](OC(=O)C[C@@H](C)CC(C)(C)C)c1cccc(-c2nn[n-]n2)c1 ZINC000821646570 606371153 /nfs/dbraw/zinc/37/11/53/606371153.db2.gz KILHONVLLPFINW-WBMJQRKESA-N -1 3 374.441 3.086 20 0 FGADHM CC[C@@H](Oc1ccccc1Cl)C(=O)N(C)c1cccc(-c2nnn[n-]2)c1 ZINC000820939081 606372062 /nfs/dbraw/zinc/37/20/62/606372062.db2.gz QCOCSYPCANIIOK-OAHLLOKOSA-N -1 3 371.828 3.341 20 0 FGADHM CC[C@@H](Oc1ccccc1Cl)C(=O)N(C)c1cccc(-c2nn[n-]n2)c1 ZINC000820939081 606372064 /nfs/dbraw/zinc/37/20/64/606372064.db2.gz QCOCSYPCANIIOK-OAHLLOKOSA-N -1 3 371.828 3.341 20 0 FGADHM Cc1cc(C(=O)OCCCOc2ccc(-c3nn[n-]n3)cc2)c(F)cc1F ZINC000822184531 606380935 /nfs/dbraw/zinc/38/09/35/606380935.db2.gz WLOOEMJGNABBMG-UHFFFAOYSA-N -1 3 374.347 3.079 20 0 FGADHM CC[C@H](Oc1ccccc1Cl)C(=O)OCc1ccccc1-c1nnn[n-]1 ZINC000820937740 606395167 /nfs/dbraw/zinc/39/51/67/606395167.db2.gz CLXOGODHMLBCJE-HNNXBMFYSA-N -1 3 372.812 3.421 20 0 FGADHM CC[C@H](Oc1ccccc1Cl)C(=O)OCc1ccccc1-c1nn[n-]n1 ZINC000820937740 606395169 /nfs/dbraw/zinc/39/51/69/606395169.db2.gz CLXOGODHMLBCJE-HNNXBMFYSA-N -1 3 372.812 3.421 20 0 FGADHM C[C@H](OC(=O)c1cc(-c2nnn[n-]2)cn1C)c1ccccc1C(F)(F)F ZINC000820508719 606406945 /nfs/dbraw/zinc/40/69/45/606406945.db2.gz WAJACFYPFXBPKD-VIFPVBQESA-N -1 3 365.315 3.142 20 0 FGADHM C[C@H](OC(=O)c1cc(-c2nn[n-]n2)cn1C)c1ccccc1C(F)(F)F ZINC000820508719 606406947 /nfs/dbraw/zinc/40/69/47/606406947.db2.gz WAJACFYPFXBPKD-VIFPVBQESA-N -1 3 365.315 3.142 20 0 FGADHM C[C@@H](NCc1c(F)cccc1OC(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000820426315 606416121 /nfs/dbraw/zinc/41/61/21/606416121.db2.gz IDXATEFXPJDWDE-SNVBAGLBSA-N -1 3 363.343 3.458 20 0 FGADHM COc1ccc(NCc2ccc(-c3nnn[n-]3)s2)cc1Br ZINC000821835278 606418307 /nfs/dbraw/zinc/41/83/07/606418307.db2.gz GXUQYHXYGSHBIA-UHFFFAOYSA-N -1 3 366.244 3.311 20 0 FGADHM CC(C)[C@H]1OCCC[C@H]1CNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000820051275 606427152 /nfs/dbraw/zinc/42/71/52/606427152.db2.gz MFDDVZQRKBCGNI-GXFFZTMASA-N -1 3 370.379 3.144 20 0 FGADHM CC(C)[C@H]1OCCC[C@H]1CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000820051275 606427154 /nfs/dbraw/zinc/42/71/54/606427154.db2.gz MFDDVZQRKBCGNI-GXFFZTMASA-N -1 3 370.379 3.144 20 0 FGADHM CCc1ccccc1NC(=O)CN(C)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000821496017 606439756 /nfs/dbraw/zinc/43/97/56/606439756.db2.gz ARFIAHRAZOHZRE-UHFFFAOYSA-N -1 3 370.844 3.157 20 0 FGADHM CCc1ccccc1NC(=O)CN(C)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000821496017 606439757 /nfs/dbraw/zinc/43/97/57/606439757.db2.gz ARFIAHRAZOHZRE-UHFFFAOYSA-N -1 3 370.844 3.157 20 0 FGADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1CCC[C@H]1c1cccnc1 ZINC000822331336 606444560 /nfs/dbraw/zinc/44/45/60/606444560.db2.gz DZVWITAYZDNFLP-KRWDZBQOSA-N -1 3 357.421 3.460 20 0 FGADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N1CCC[C@H]1c1cccnc1 ZINC000822331336 606444561 /nfs/dbraw/zinc/44/45/61/606444561.db2.gz DZVWITAYZDNFLP-KRWDZBQOSA-N -1 3 357.421 3.460 20 0 FGADHM CCN(CC)C(=O)c1ccccc1NCc1cc(-c2nnn[n-]2)ccc1F ZINC000821175166 606450316 /nfs/dbraw/zinc/45/03/16/606450316.db2.gz GWDPVZLAFWNHDX-UHFFFAOYSA-N -1 3 368.416 3.100 20 0 FGADHM CCN(CC)C(=O)c1ccccc1NCc1cc(-c2nn[n-]n2)ccc1F ZINC000821175166 606450318 /nfs/dbraw/zinc/45/03/18/606450318.db2.gz GWDPVZLAFWNHDX-UHFFFAOYSA-N -1 3 368.416 3.100 20 0 FGADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1)c1ccc2ccc(Cl)cc2n1 ZINC000823418306 606465944 /nfs/dbraw/zinc/46/59/44/606465944.db2.gz PGVGBQOCTHNCMA-UHFFFAOYSA-N -1 3 365.780 3.425 20 0 FGADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1)c1ccc2ccc(Cl)cc2n1 ZINC000823418306 606465945 /nfs/dbraw/zinc/46/59/45/606465945.db2.gz PGVGBQOCTHNCMA-UHFFFAOYSA-N -1 3 365.780 3.425 20 0 FGADHM CCO[C@H]1C[C@H](OC(=O)c2cc(-c3nnn[n-]3)cs2)C12CCCCC2 ZINC000821367204 606467053 /nfs/dbraw/zinc/46/70/53/606467053.db2.gz COSQXLSMJGBXFD-KBPBESRZSA-N -1 3 362.455 3.213 20 0 FGADHM CCO[C@H]1C[C@H](OC(=O)c2cc(-c3nn[n-]n3)cs2)C12CCCCC2 ZINC000821367204 606467055 /nfs/dbraw/zinc/46/70/55/606467055.db2.gz COSQXLSMJGBXFD-KBPBESRZSA-N -1 3 362.455 3.213 20 0 FGADHM Clc1ccc2[nH]c(CNc3ccc(Cl)c(-c4nnn[n-]4)n3)nc2c1 ZINC000822582438 606467552 /nfs/dbraw/zinc/46/75/52/606467552.db2.gz TVPWKEBRWCMIHB-UHFFFAOYSA-N -1 3 361.196 3.057 20 0 FGADHM Cc1ccc(NC(=O)c2cc(-c3nnn[n-]3)cs2)c(Br)c1 ZINC000822254175 606477160 /nfs/dbraw/zinc/47/71/60/606477160.db2.gz BUIQLFUDHICUOI-UHFFFAOYSA-N -1 3 364.228 3.251 20 0 FGADHM Cc1ccc(NC(=O)c2cc(-c3nn[n-]n3)cs2)c(Br)c1 ZINC000822254175 606477161 /nfs/dbraw/zinc/47/71/61/606477161.db2.gz BUIQLFUDHICUOI-UHFFFAOYSA-N -1 3 364.228 3.251 20 0 FGADHM C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)cs1)c1ccc2c(c1)CCCC2 ZINC000820390502 606483560 /nfs/dbraw/zinc/48/35/60/606483560.db2.gz HTCGEWJLLAEPFD-LLVKDONJSA-N -1 3 353.451 3.298 20 0 FGADHM C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)cs1)c1ccc2c(c1)CCCC2 ZINC000820390502 606483561 /nfs/dbraw/zinc/48/35/61/606483561.db2.gz HTCGEWJLLAEPFD-LLVKDONJSA-N -1 3 353.451 3.298 20 0 FGADHM FC(F)Oc1cc(-c2nn[n-]n2)ccc1CN1CCC[C@@H]1c1ccc[nH]1 ZINC000822732963 606484592 /nfs/dbraw/zinc/48/45/92/606484592.db2.gz PLSPDSKELSSENI-CQSZACIVSA-N -1 3 360.368 3.133 20 0 FGADHM CC(C)N(Cc1ccco1)Cc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000820120824 606485378 /nfs/dbraw/zinc/48/53/78/606485378.db2.gz KPAQYXFMCBNSJM-UHFFFAOYSA-N -1 3 363.368 3.472 20 0 FGADHM O=C(c1cc(-c2nnn[n-]2)cs1)N(Cc1ccc(F)cc1F)C1CC1 ZINC000823466674 606491309 /nfs/dbraw/zinc/49/13/09/606491309.db2.gz OBAAHRSXWKFNOA-UHFFFAOYSA-N -1 3 361.377 3.011 20 0 FGADHM O=C(c1cc(-c2nn[n-]n2)cs1)N(Cc1ccc(F)cc1F)C1CC1 ZINC000823466674 606491310 /nfs/dbraw/zinc/49/13/10/606491310.db2.gz OBAAHRSXWKFNOA-UHFFFAOYSA-N -1 3 361.377 3.011 20 0 FGADHM CC(C)Oc1ccccc1[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820178585 606493476 /nfs/dbraw/zinc/49/34/76/606493476.db2.gz VAIBSLRNZJVGDM-NSHDSACASA-N -1 3 357.439 3.206 20 0 FGADHM CC(C)Oc1ccccc1[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820178585 606493478 /nfs/dbraw/zinc/49/34/78/606493478.db2.gz VAIBSLRNZJVGDM-NSHDSACASA-N -1 3 357.439 3.206 20 0 FGADHM O=C(NCC1(c2ccc(F)cc2)CCCC1)c1cc(-c2nnn[n-]2)cs1 ZINC000823171132 606494880 /nfs/dbraw/zinc/49/48/80/606494880.db2.gz PRTKGNPESAOWES-UHFFFAOYSA-N -1 3 371.441 3.309 20 0 FGADHM O=C(NCC1(c2ccc(F)cc2)CCCC1)c1cc(-c2nn[n-]n2)cs1 ZINC000823171132 606494882 /nfs/dbraw/zinc/49/48/82/606494882.db2.gz PRTKGNPESAOWES-UHFFFAOYSA-N -1 3 371.441 3.309 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N(Cc1ccco1)c1ccccc1 ZINC000823087513 606499194 /nfs/dbraw/zinc/49/91/94/606499194.db2.gz RYKUSQYZDSZKKX-UHFFFAOYSA-N -1 3 359.389 3.236 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N(Cc1ccco1)c1ccccc1 ZINC000823087513 606499196 /nfs/dbraw/zinc/49/91/96/606499196.db2.gz RYKUSQYZDSZKKX-UHFFFAOYSA-N -1 3 359.389 3.236 20 0 FGADHM Cc1ccc(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)c(F)c1 ZINC000822226144 606506027 /nfs/dbraw/zinc/50/60/27/606506027.db2.gz FAFOIZGTDBAPNV-UHFFFAOYSA-N -1 3 353.401 3.365 20 0 FGADHM Cc1ccc(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)c(F)c1 ZINC000822226144 606506029 /nfs/dbraw/zinc/50/60/29/606506029.db2.gz FAFOIZGTDBAPNV-UHFFFAOYSA-N -1 3 353.401 3.365 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N1CCSc2ccc(Cl)cc21 ZINC000823093084 606507539 /nfs/dbraw/zinc/50/75/39/606507539.db2.gz UCZUGTGGRZWGAF-UHFFFAOYSA-N -1 3 371.853 3.202 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N1CCSc2ccc(Cl)cc21 ZINC000823093084 606507541 /nfs/dbraw/zinc/50/75/41/606507541.db2.gz UCZUGTGGRZWGAF-UHFFFAOYSA-N -1 3 371.853 3.202 20 0 FGADHM CC(C)(C)[C@@H](NC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC000819898381 606511034 /nfs/dbraw/zinc/51/10/34/606511034.db2.gz FMBXCKHYRGLMBV-SFHVURJKSA-N -1 3 367.428 3.452 20 0 FGADHM CC(C)(C)[C@@H](NC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC000819898381 606511035 /nfs/dbraw/zinc/51/10/35/606511035.db2.gz FMBXCKHYRGLMBV-SFHVURJKSA-N -1 3 367.428 3.452 20 0 FGADHM O=C(c1cc(-c2nnn[n-]2)cs1)N1CCCc2cc(Cl)cc(F)c21 ZINC000823472427 606511669 /nfs/dbraw/zinc/51/16/69/606511669.db2.gz LPHLSKHIPRPMPK-UHFFFAOYSA-N -1 3 363.805 3.314 20 0 FGADHM O=C(c1cc(-c2nn[n-]n2)cs1)N1CCCc2cc(Cl)cc(F)c21 ZINC000823472427 606511670 /nfs/dbraw/zinc/51/16/70/606511670.db2.gz LPHLSKHIPRPMPK-UHFFFAOYSA-N -1 3 363.805 3.314 20 0 FGADHM O=C(c1cc(-c2nnn[n-]2)cs1)N1CCC(c2ccccc2F)CC1 ZINC000823472811 606514893 /nfs/dbraw/zinc/51/48/93/606514893.db2.gz ZVZYHEHEBJPKMY-UHFFFAOYSA-N -1 3 357.414 3.087 20 0 FGADHM O=C(c1cc(-c2nn[n-]n2)cs1)N1CCC(c2ccccc2F)CC1 ZINC000823472811 606514895 /nfs/dbraw/zinc/51/48/95/606514895.db2.gz ZVZYHEHEBJPKMY-UHFFFAOYSA-N -1 3 357.414 3.087 20 0 FGADHM Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)c2cc(-c3nnn[n-]3)cs2)C1 ZINC000822351539 606515266 /nfs/dbraw/zinc/51/52/66/606515266.db2.gz NYOCGNSMNMXODV-QWHCGFSZSA-N -1 3 353.451 3.255 20 0 FGADHM Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)c2cc(-c3nn[n-]n3)cs2)C1 ZINC000822351539 606515267 /nfs/dbraw/zinc/51/52/67/606515267.db2.gz NYOCGNSMNMXODV-QWHCGFSZSA-N -1 3 353.451 3.255 20 0 FGADHM CC(C)[C@@H](Cc1ccc(F)cc1)N(C)C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820020281 606520649 /nfs/dbraw/zinc/52/06/49/606520649.db2.gz CXBANVOKSZZDCG-OAHLLOKOSA-N -1 3 373.457 3.407 20 0 FGADHM CC(C)[C@@H](Cc1ccc(F)cc1)N(C)C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820020281 606520651 /nfs/dbraw/zinc/52/06/51/606520651.db2.gz CXBANVOKSZZDCG-OAHLLOKOSA-N -1 3 373.457 3.407 20 0 FGADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C/C=C/c1cccc(F)c1 ZINC000821608486 606522896 /nfs/dbraw/zinc/52/28/96/606522896.db2.gz JHVYLXIPQPJPRB-HWKANZROSA-N -1 3 351.385 3.068 20 0 FGADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C/C=C/c1cccc(F)c1 ZINC000821608486 606522898 /nfs/dbraw/zinc/52/28/98/606522898.db2.gz JHVYLXIPQPJPRB-HWKANZROSA-N -1 3 351.385 3.068 20 0 FGADHM O=C(CN(CC1CCC1)c1ccccc1)Nc1sccc1-c1nnn[n-]1 ZINC000822986220 606526582 /nfs/dbraw/zinc/52/65/82/606526582.db2.gz AKRQJPAUMXFAEX-UHFFFAOYSA-N -1 3 368.466 3.173 20 0 FGADHM O=C(CN(CC1CCC1)c1ccccc1)Nc1sccc1-c1nn[n-]n1 ZINC000822986220 606526584 /nfs/dbraw/zinc/52/65/84/606526584.db2.gz AKRQJPAUMXFAEX-UHFFFAOYSA-N -1 3 368.466 3.173 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000823093048 606535346 /nfs/dbraw/zinc/53/53/46/606535346.db2.gz SOAIRVOXXIBKER-RTBURBONSA-N -1 3 361.449 3.252 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000823093048 606535347 /nfs/dbraw/zinc/53/53/47/606535347.db2.gz SOAIRVOXXIBKER-RTBURBONSA-N -1 3 361.449 3.252 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N(CC1CCC1)CC(F)(F)F ZINC000822929663 606543676 /nfs/dbraw/zinc/54/36/76/606543676.db2.gz WLNPCYRJLTUPSL-HJWRWDBZSA-N -1 3 365.359 3.071 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N(CC1CCC1)CC(F)(F)F ZINC000822929663 606543678 /nfs/dbraw/zinc/54/36/78/606543678.db2.gz WLNPCYRJLTUPSL-HJWRWDBZSA-N -1 3 365.359 3.071 20 0 FGADHM CC(C)(C)OCc1ccc(NC(=O)c2sccc2-c2nnn[n-]2)cc1 ZINC000819951308 606548249 /nfs/dbraw/zinc/54/82/49/606548249.db2.gz RPDGRAVGZOHDOI-UHFFFAOYSA-N -1 3 357.439 3.496 20 0 FGADHM CC(C)(C)OCc1ccc(NC(=O)c2sccc2-c2nn[n-]n2)cc1 ZINC000819951308 606548251 /nfs/dbraw/zinc/54/82/51/606548251.db2.gz RPDGRAVGZOHDOI-UHFFFAOYSA-N -1 3 357.439 3.496 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N[C@H](C1CCCC1)C(F)(F)F ZINC000822929372 606548755 /nfs/dbraw/zinc/54/87/55/606548755.db2.gz SYWKENPNKLMAOV-BOLDSZDNSA-N -1 3 365.359 3.117 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N[C@H](C1CCCC1)C(F)(F)F ZINC000822929372 606548756 /nfs/dbraw/zinc/54/87/56/606548756.db2.gz SYWKENPNKLMAOV-BOLDSZDNSA-N -1 3 365.359 3.117 20 0 FGADHM CC(C)(NC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C1CC1 ZINC000819987681 606577270 /nfs/dbraw/zinc/57/72/70/606577270.db2.gz GGZAZWDPGPOMEV-UHFFFAOYSA-N -1 3 354.336 3.196 20 0 FGADHM CC(C)(NC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C1CC1 ZINC000819987681 606577271 /nfs/dbraw/zinc/57/72/71/606577271.db2.gz GGZAZWDPGPOMEV-UHFFFAOYSA-N -1 3 354.336 3.196 20 0 FGADHM Cc1cc([C@H](C)NC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)ccc1F ZINC000822190983 606577289 /nfs/dbraw/zinc/57/72/89/606577289.db2.gz CZYMFDNLRYPWDD-JTQLQIEISA-N -1 3 358.352 3.336 20 0 FGADHM Cc1cc([C@H](C)NC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)ccc1F ZINC000822190983 606577290 /nfs/dbraw/zinc/57/72/90/606577290.db2.gz CZYMFDNLRYPWDD-JTQLQIEISA-N -1 3 358.352 3.336 20 0 FGADHM C[C@@H]1CCN(C(=O)Cc2cccc(-c3nnn[n-]3)c2)[C@H](c2ccco2)C1 ZINC000820717412 606579163 /nfs/dbraw/zinc/57/91/63/606579163.db2.gz QOZKYFAXVNJKMH-CJNGLKHVSA-N -1 3 351.410 3.002 20 0 FGADHM C[C@@H]1CCN(C(=O)Cc2cccc(-c3nn[n-]n3)c2)[C@H](c2ccco2)C1 ZINC000820717412 606579164 /nfs/dbraw/zinc/57/91/64/606579164.db2.gz QOZKYFAXVNJKMH-CJNGLKHVSA-N -1 3 351.410 3.002 20 0 FGADHM CC(C)Nc1ccc(F)cc1NC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820136769 606580088 /nfs/dbraw/zinc/58/00/88/606580088.db2.gz BNQYHXXAMZCKCR-UHFFFAOYSA-N -1 3 354.389 3.007 20 0 FGADHM CC(C)Nc1ccc(F)cc1NC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820136769 606580090 /nfs/dbraw/zinc/58/00/90/606580090.db2.gz BNQYHXXAMZCKCR-UHFFFAOYSA-N -1 3 354.389 3.007 20 0 FGADHM FC(F)Oc1cc(-c2nnn[n-]2)ccc1CSCCc1ccccn1 ZINC000822733270 606599007 /nfs/dbraw/zinc/59/90/07/606599007.db2.gz WCQNXYKLMBHYRN-UHFFFAOYSA-N -1 3 363.393 3.339 20 0 FGADHM FC(F)Oc1cc(-c2nn[n-]n2)ccc1CSCCc1ccccn1 ZINC000822733270 606599009 /nfs/dbraw/zinc/59/90/09/606599009.db2.gz WCQNXYKLMBHYRN-UHFFFAOYSA-N -1 3 363.393 3.339 20 0 FGADHM Cc1noc([C@H](C)SCc2ccc(-c3nnn[n-]3)cc2OC(F)F)n1 ZINC000822519711 606599108 /nfs/dbraw/zinc/59/91/08/606599108.db2.gz KXXSRFPUSXVBHD-ZETCQYMHSA-N -1 3 368.369 3.154 20 0 FGADHM Cc1noc([C@H](C)SCc2ccc(-c3nn[n-]n3)cc2OC(F)F)n1 ZINC000822519711 606599110 /nfs/dbraw/zinc/59/91/10/606599110.db2.gz KXXSRFPUSXVBHD-ZETCQYMHSA-N -1 3 368.369 3.154 20 0 FGADHM CCn1ccnc1CSCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000821566543 606599120 /nfs/dbraw/zinc/59/91/20/606599120.db2.gz IWNZONUIIPEQFK-UHFFFAOYSA-N -1 3 366.397 3.118 20 0 FGADHM CCn1ccnc1CSCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000821566543 606599121 /nfs/dbraw/zinc/59/91/21/606599121.db2.gz IWNZONUIIPEQFK-UHFFFAOYSA-N -1 3 366.397 3.118 20 0 FGADHM O=C(N[C@H](C1CCCCC1)C(F)(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000823139699 606605714 /nfs/dbraw/zinc/60/57/14/606605714.db2.gz JZAWPYSMBSEIAZ-CYBMUJFWSA-N -1 3 353.348 3.108 20 0 FGADHM O=C(N[C@H](C1CCCCC1)C(F)(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000823139699 606605716 /nfs/dbraw/zinc/60/57/16/606605716.db2.gz JZAWPYSMBSEIAZ-CYBMUJFWSA-N -1 3 353.348 3.108 20 0 FGADHM O=C(c1cccc(-c2nnn[n-]2)c1)N1CCC[C@]2(CCCc3ccccc32)C1 ZINC000823488965 606607204 /nfs/dbraw/zinc/60/72/04/606607204.db2.gz ZOUCZEDSFBVTKC-JOCHJYFZSA-N -1 3 373.460 3.377 20 0 FGADHM O=C(c1cccc(-c2nn[n-]n2)c1)N1CCC[C@]2(CCCc3ccccc32)C1 ZINC000823488965 606607205 /nfs/dbraw/zinc/60/72/05/606607205.db2.gz ZOUCZEDSFBVTKC-JOCHJYFZSA-N -1 3 373.460 3.377 20 0 FGADHM COc1cccc([C@H](C)CC(=O)OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000821860149 606613161 /nfs/dbraw/zinc/61/31/61/606613161.db2.gz XWQVFDVUZZIYIH-CYBMUJFWSA-N -1 3 352.394 3.112 20 0 FGADHM COc1cccc([C@H](C)CC(=O)OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000821860149 606613164 /nfs/dbraw/zinc/61/31/64/606613164.db2.gz XWQVFDVUZZIYIH-CYBMUJFWSA-N -1 3 352.394 3.112 20 0 FGADHM O=C(Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1)C1CC(F)(F)C1 ZINC000823356011 606619565 /nfs/dbraw/zinc/61/95/65/606619565.db2.gz IEQNNBRQCCZFPI-UHFFFAOYSA-N -1 3 372.335 3.038 20 0 FGADHM O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1)C1CC(F)(F)C1 ZINC000823356011 606619567 /nfs/dbraw/zinc/61/95/67/606619567.db2.gz IEQNNBRQCCZFPI-UHFFFAOYSA-N -1 3 372.335 3.038 20 0 FGADHM CC[C@H](C)Oc1ccc(C(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000820875979 606626578 /nfs/dbraw/zinc/62/65/78/606626578.db2.gz JNKGWNCPYQQOSO-AWEZNQCLSA-N -1 3 365.437 3.316 20 0 FGADHM CC[C@H](C)Oc1ccc(C(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000820875979 606626580 /nfs/dbraw/zinc/62/65/80/606626580.db2.gz JNKGWNCPYQQOSO-AWEZNQCLSA-N -1 3 365.437 3.316 20 0 FGADHM Cc1cccnc1C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000822369140 606627005 /nfs/dbraw/zinc/62/70/05/606627005.db2.gz BLBCWBRHVTYKSE-UHFFFAOYSA-N -1 3 373.376 3.010 20 0 FGADHM Cc1cccnc1C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000822369140 606627007 /nfs/dbraw/zinc/62/70/07/606627007.db2.gz BLBCWBRHVTYKSE-UHFFFAOYSA-N -1 3 373.376 3.010 20 0 FGADHM Cc1ccc(CNc2nnc(C)c(C)c2-c2nnn[n-]2)c(OC(C)(C)C)c1 ZINC000822238795 606633371 /nfs/dbraw/zinc/63/33/71/606633371.db2.gz VCJKCYMCXXJWIP-UHFFFAOYSA-N -1 3 367.457 3.371 20 0 FGADHM Cc1ccc(CNc2nnc(C)c(C)c2-c2nn[n-]n2)c(OC(C)(C)C)c1 ZINC000822238795 606633372 /nfs/dbraw/zinc/63/33/72/606633372.db2.gz VCJKCYMCXXJWIP-UHFFFAOYSA-N -1 3 367.457 3.371 20 0 FGADHM CN(Cc1ccc(Cl)s1)C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821611136 606662577 /nfs/dbraw/zinc/66/25/77/606662577.db2.gz RUMUQOQFYSVJOX-UHFFFAOYSA-N -1 3 369.784 3.132 20 0 FGADHM CN(Cc1ccc(Cl)s1)C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821611136 606662578 /nfs/dbraw/zinc/66/25/78/606662578.db2.gz RUMUQOQFYSVJOX-UHFFFAOYSA-N -1 3 369.784 3.132 20 0 FGADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1)c1cnc(Cc2ccccc2)s1 ZINC000823449923 606663209 /nfs/dbraw/zinc/66/32/09/606663209.db2.gz FFCXXEWIDXNCTF-UHFFFAOYSA-N -1 3 363.402 3.133 20 0 FGADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1)c1cnc(Cc2ccccc2)s1 ZINC000823449923 606663210 /nfs/dbraw/zinc/66/32/10/606663210.db2.gz FFCXXEWIDXNCTF-UHFFFAOYSA-N -1 3 363.402 3.133 20 0 FGADHM CCN(Cc1ccccc1C)C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821230486 606667873 /nfs/dbraw/zinc/66/78/73/606667873.db2.gz LKUSLAZMZUWNHB-UHFFFAOYSA-N -1 3 357.364 3.116 20 0 FGADHM CCN(Cc1ccccc1C)C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821230486 606667874 /nfs/dbraw/zinc/66/78/74/606667874.db2.gz LKUSLAZMZUWNHB-UHFFFAOYSA-N -1 3 357.364 3.116 20 0 FGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Cc1ccc(F)c(F)c1 ZINC000820116050 606670042 /nfs/dbraw/zinc/67/00/42/606670042.db2.gz FGWJDWBHIHVZMF-UHFFFAOYSA-N -1 3 371.391 3.125 20 0 FGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Cc1ccc(F)c(F)c1 ZINC000820116050 606670043 /nfs/dbraw/zinc/67/00/43/606670043.db2.gz FGWJDWBHIHVZMF-UHFFFAOYSA-N -1 3 371.391 3.125 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H]1C[C@H]1Cc1ccccc1 ZINC000821400546 606673643 /nfs/dbraw/zinc/67/36/43/606673643.db2.gz LDDFDTWIZXCXEZ-CVEARBPZSA-N -1 3 363.421 3.083 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H]1C[C@H]1Cc1ccccc1 ZINC000821400546 606673644 /nfs/dbraw/zinc/67/36/44/606673644.db2.gz LDDFDTWIZXCXEZ-CVEARBPZSA-N -1 3 363.421 3.083 20 0 FGADHM CCc1cccc2c1N(C(=O)c1c(F)cc(-c3nnn[n-]3)cc1F)CCC2 ZINC000821492080 606679102 /nfs/dbraw/zinc/67/91/02/606679102.db2.gz GDEGUEUMYATHDN-UHFFFAOYSA-N -1 3 369.375 3.300 20 0 FGADHM CCc1cccc2c1N(C(=O)c1c(F)cc(-c3nn[n-]n3)cc1F)CCC2 ZINC000821492080 606679103 /nfs/dbraw/zinc/67/91/03/606679103.db2.gz GDEGUEUMYATHDN-UHFFFAOYSA-N -1 3 369.375 3.300 20 0 FGADHM CC[C@H]1c2ccccc2CCN1C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821001348 606680085 /nfs/dbraw/zinc/68/00/85/606680085.db2.gz QNJBKZJCDHPELW-INIZCTEOSA-N -1 3 369.375 3.295 20 0 FGADHM CC[C@H]1c2ccccc2CCN1C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821001348 606680086 /nfs/dbraw/zinc/68/00/86/606680086.db2.gz QNJBKZJCDHPELW-INIZCTEOSA-N -1 3 369.375 3.295 20 0 FGADHM C[C@H]1CCN(C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)[C@H](c2ccco2)C1 ZINC000820717369 606684100 /nfs/dbraw/zinc/68/41/00/606684100.db2.gz QGBKRVNBYJAYNF-HZMBPMFUSA-N -1 3 373.363 3.351 20 0 FGADHM C[C@H]1CCN(C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)[C@H](c2ccco2)C1 ZINC000820717369 606684101 /nfs/dbraw/zinc/68/41/01/606684101.db2.gz QGBKRVNBYJAYNF-HZMBPMFUSA-N -1 3 373.363 3.351 20 0 FGADHM Cc1cccc(NCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)c1Cl ZINC000822328206 606707060 /nfs/dbraw/zinc/70/70/60/606707060.db2.gz MYRCWEWRJUHMRU-UHFFFAOYSA-N -1 3 367.800 3.491 20 0 FGADHM Cc1cccc(NCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)c1Cl ZINC000822328206 606707061 /nfs/dbraw/zinc/70/70/61/606707061.db2.gz MYRCWEWRJUHMRU-UHFFFAOYSA-N -1 3 367.800 3.491 20 0 FGADHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000822718188 606727961 /nfs/dbraw/zinc/72/79/61/606727961.db2.gz BVYPQDMIYHRFPY-ZKYQVNSYSA-N -1 3 353.348 3.255 20 0 FGADHM O=C(Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)c1cc[nH]c(=O)c1 ZINC000823367691 606733462 /nfs/dbraw/zinc/73/34/62/606733462.db2.gz NGNXITZRAAZYPA-UHFFFAOYSA-N -1 3 374.360 3.012 20 0 FGADHM O=C(Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)c1cc[nH]c(=O)c1 ZINC000823367691 606733465 /nfs/dbraw/zinc/73/34/65/606733465.db2.gz NGNXITZRAAZYPA-UHFFFAOYSA-N -1 3 374.360 3.012 20 0 FGADHM Cc1cc(C(=O)COC(=O)c2ccc(-c3nnn[n-]3)cc2)c(Cl)cc1F ZINC000822168031 606758815 /nfs/dbraw/zinc/75/88/15/606758815.db2.gz KYABTDSJDVJEPK-UHFFFAOYSA-N -1 3 374.759 3.007 20 0 FGADHM Cc1cc(C(=O)COC(=O)c2ccc(-c3nn[n-]n3)cc2)c(Cl)cc1F ZINC000822168031 606758817 /nfs/dbraw/zinc/75/88/17/606758817.db2.gz KYABTDSJDVJEPK-UHFFFAOYSA-N -1 3 374.759 3.007 20 0 FGADHM O=C(OCc1ccccc1-c1nnn[n-]1)c1cc(C(F)(F)F)ccc1F ZINC000823430165 606760531 /nfs/dbraw/zinc/76/05/31/606760531.db2.gz GBFUMCYXARGFSQ-UHFFFAOYSA-N -1 3 366.274 3.382 20 0 FGADHM O=C(OCc1ccccc1-c1nn[n-]n1)c1cc(C(F)(F)F)ccc1F ZINC000823430165 606760532 /nfs/dbraw/zinc/76/05/32/606760532.db2.gz GBFUMCYXARGFSQ-UHFFFAOYSA-N -1 3 366.274 3.382 20 0 FGADHM CSc1cc(C)ccc1CNC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000821978136 606812570 /nfs/dbraw/zinc/81/25/70/606812570.db2.gz JNWIDUGYDOIPKM-KTKRTIGZSA-N -1 3 365.462 3.227 20 0 FGADHM CSc1cc(C)ccc1CNC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000821978136 606812572 /nfs/dbraw/zinc/81/25/72/606812572.db2.gz JNWIDUGYDOIPKM-KTKRTIGZSA-N -1 3 365.462 3.227 20 0 FGADHM CC[C@H]1CCC[C@H]1NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000820972711 606815779 /nfs/dbraw/zinc/81/57/79/606815779.db2.gz QZBPTRRIXYTMJA-WMLDXEAASA-N -1 3 357.458 3.111 20 0 FGADHM CC[C@H]1CCC[C@H]1NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000820972711 606815780 /nfs/dbraw/zinc/81/57/80/606815780.db2.gz QZBPTRRIXYTMJA-WMLDXEAASA-N -1 3 357.458 3.111 20 0 FGADHM CCN(C(=O)CNc1cccc(-c2nnn[n-]2)c1)[C@H](C)c1ccc(F)cc1 ZINC000821154361 606826936 /nfs/dbraw/zinc/82/69/36/606826936.db2.gz MPQFRESZUZAGNY-CYBMUJFWSA-N -1 3 368.416 3.027 20 0 FGADHM CCN(C(=O)CNc1cccc(-c2nn[n-]n2)c1)[C@H](C)c1ccc(F)cc1 ZINC000821154361 606826938 /nfs/dbraw/zinc/82/69/38/606826938.db2.gz MPQFRESZUZAGNY-CYBMUJFWSA-N -1 3 368.416 3.027 20 0 FGADHM CC(=O)CCCCOC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000819781932 606827976 /nfs/dbraw/zinc/82/79/76/606827976.db2.gz DOLOTSAQPNBEOK-UHFFFAOYSA-N -1 3 364.405 3.450 20 0 FGADHM CC(=O)CCCCOC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000819781932 606827978 /nfs/dbraw/zinc/82/79/78/606827978.db2.gz DOLOTSAQPNBEOK-UHFFFAOYSA-N -1 3 364.405 3.450 20 0 FGADHM Cc1c2nc(NC(=O)c3sccc3-c3nnn[n-]3)sc2ccc1F ZINC000822034384 606833205 /nfs/dbraw/zinc/83/32/05/606833205.db2.gz AVTZHYMQPKZLDI-UHFFFAOYSA-N -1 3 360.399 3.238 20 0 FGADHM Cc1c2nc(NC(=O)c3sccc3-c3nn[n-]n3)sc2ccc1F ZINC000822034384 606833207 /nfs/dbraw/zinc/83/32/07/606833207.db2.gz AVTZHYMQPKZLDI-UHFFFAOYSA-N -1 3 360.399 3.238 20 0 FGADHM c1cn(C2CCCC2)nc1CSCCOc1cccc(-c2nnn[n-]2)c1 ZINC000823761921 606841904 /nfs/dbraw/zinc/84/19/04/606841904.db2.gz AENKPZCTKKUOLE-UHFFFAOYSA-N -1 3 370.482 3.491 20 0 FGADHM c1cn(C2CCCC2)nc1CSCCOc1cccc(-c2nn[n-]n2)c1 ZINC000823761921 606841906 /nfs/dbraw/zinc/84/19/06/606841906.db2.gz AENKPZCTKKUOLE-UHFFFAOYSA-N -1 3 370.482 3.491 20 0 FGADHM CC[C@H]1CC[C@@H](C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCC3)O1 ZINC000820972634 606842233 /nfs/dbraw/zinc/84/22/33/606842233.db2.gz PWOWBFMNIMVYKW-JQWIXIFHSA-N -1 3 361.471 3.093 20 0 FGADHM CC[C@H]1CC[C@@H](C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCC3)O1 ZINC000820972634 606842235 /nfs/dbraw/zinc/84/22/35/606842235.db2.gz PWOWBFMNIMVYKW-JQWIXIFHSA-N -1 3 361.471 3.093 20 0 FGADHM C[C@@H](SCCCOc1cccc(-c2nnn[n-]2)c1)C(=O)OC(C)(C)C ZINC000820549032 606842467 /nfs/dbraw/zinc/84/24/67/606842467.db2.gz JEZQNXZKNGGRHN-GFCCVEGCSA-N -1 3 364.471 3.099 20 0 FGADHM C[C@@H](SCCCOc1cccc(-c2nn[n-]n2)c1)C(=O)OC(C)(C)C ZINC000820549032 606842468 /nfs/dbraw/zinc/84/24/68/606842468.db2.gz JEZQNXZKNGGRHN-GFCCVEGCSA-N -1 3 364.471 3.099 20 0 FGADHM O[C@H](CSc1nc2ccccc2s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823697823 606846324 /nfs/dbraw/zinc/84/63/24/606846324.db2.gz NBSADQACQIZWIT-CYBMUJFWSA-N -1 3 355.448 3.302 20 0 FGADHM O[C@H](CSc1nc2ccccc2s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823697823 606846326 /nfs/dbraw/zinc/84/63/26/606846326.db2.gz NBSADQACQIZWIT-CYBMUJFWSA-N -1 3 355.448 3.302 20 0 FGADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)c1ccn(C2CCCC2)n1 ZINC000823332195 606853326 /nfs/dbraw/zinc/85/33/26/606853326.db2.gz LHTZTAVTHCNFFW-UHFFFAOYSA-N -1 3 357.805 3.084 20 0 FGADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)c1ccn(C2CCCC2)n1 ZINC000823332195 606853327 /nfs/dbraw/zinc/85/33/27/606853327.db2.gz LHTZTAVTHCNFFW-UHFFFAOYSA-N -1 3 357.805 3.084 20 0 FGADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cncc(-c2ccccc2)c1 ZINC000821609778 606861024 /nfs/dbraw/zinc/86/10/24/606861024.db2.gz LLLWBUGPGPESAV-UHFFFAOYSA-N -1 3 370.416 3.201 20 0 FGADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cncc(-c2ccccc2)c1 ZINC000821609778 606861026 /nfs/dbraw/zinc/86/10/26/606861026.db2.gz LLLWBUGPGPESAV-UHFFFAOYSA-N -1 3 370.416 3.201 20 0 FGADHM c1ccc2[nH]c(SCCCOc3cccc(-c4nnn[n-]4)c3)nc2c1 ZINC000823762885 606866113 /nfs/dbraw/zinc/86/61/13/606866113.db2.gz VTQODKYBRBXQQM-UHFFFAOYSA-N -1 3 352.423 3.304 20 0 FGADHM c1ccc2[nH]c(SCCCOc3cccc(-c4nn[n-]n4)c3)nc2c1 ZINC000823762885 606866115 /nfs/dbraw/zinc/86/61/15/606866115.db2.gz VTQODKYBRBXQQM-UHFFFAOYSA-N -1 3 352.423 3.304 20 0 FGADHM CC1(CNC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)CCCCC1 ZINC000820613255 606871063 /nfs/dbraw/zinc/87/10/63/606871063.db2.gz XVRRLJIVLCTUQI-UHFFFAOYSA-N -1 3 359.499 3.187 20 0 FGADHM CC1(CNC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)CCCCC1 ZINC000820613255 606871065 /nfs/dbraw/zinc/87/10/65/606871065.db2.gz XVRRLJIVLCTUQI-UHFFFAOYSA-N -1 3 359.499 3.187 20 0 FGADHM CCN(C(=O)c1ccc(F)c(OC)c1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821160287 606871415 /nfs/dbraw/zinc/87/14/15/606871415.db2.gz ITWJTDVXTKKWPE-GFCCVEGCSA-N -1 3 369.400 3.238 20 0 FGADHM CCN(C(=O)c1ccc(F)c(OC)c1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821160287 606871417 /nfs/dbraw/zinc/87/14/17/606871417.db2.gz ITWJTDVXTKKWPE-GFCCVEGCSA-N -1 3 369.400 3.238 20 0 FGADHM O[C@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)c1cc2ccccc2s1 ZINC000823689655 606877932 /nfs/dbraw/zinc/87/79/32/606877932.db2.gz IJKIMQBUMIIIAH-GFCCVEGCSA-N -1 3 372.841 3.275 20 0 FGADHM O[C@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)c1cc2ccccc2s1 ZINC000823689655 606877934 /nfs/dbraw/zinc/87/79/34/606877934.db2.gz IJKIMQBUMIIIAH-GFCCVEGCSA-N -1 3 372.841 3.275 20 0 FGADHM O=C(N[C@H]1CC2(CCC2)Oc2ccccc21)c1cc(-c2nnn[n-]2)cs1 ZINC000823144993 606880027 /nfs/dbraw/zinc/88/00/27/606880027.db2.gz NVBWXNBLKRJRNE-ZDUSSCGKSA-N -1 3 367.434 3.105 20 0 FGADHM O=C(N[C@H]1CC2(CCC2)Oc2ccccc21)c1cc(-c2nn[n-]n2)cs1 ZINC000823144993 606880028 /nfs/dbraw/zinc/88/00/28/606880028.db2.gz NVBWXNBLKRJRNE-ZDUSSCGKSA-N -1 3 367.434 3.105 20 0 FGADHM C[C@@H]1CC[C@H](C)N1C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820683820 606907512 /nfs/dbraw/zinc/90/75/12/606907512.db2.gz HSOUUIUDKVMMFQ-DTORHVGOSA-N -1 3 354.336 3.290 20 0 FGADHM C[C@@H]1CC[C@H](C)N1C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820683820 606907513 /nfs/dbraw/zinc/90/75/13/606907513.db2.gz HSOUUIUDKVMMFQ-DTORHVGOSA-N -1 3 354.336 3.290 20 0 FGADHM CCc1nnc(NCc2nc3ccccc3s2)c(-c2nnn[n-]2)c1CC ZINC000821542327 606917841 /nfs/dbraw/zinc/91/78/41/606917841.db2.gz OUEVGOJSHKJTSS-UHFFFAOYSA-N -1 3 366.454 3.003 20 0 FGADHM CCc1nnc(NCc2nc3ccccc3s2)c(-c2nn[n-]n2)c1CC ZINC000821542327 606917842 /nfs/dbraw/zinc/91/78/42/606917842.db2.gz OUEVGOJSHKJTSS-UHFFFAOYSA-N -1 3 366.454 3.003 20 0 FGADHM CCc1nnc(Nc2cccc(N3CCCC3)c2)c(-c2nnn[n-]2)c1CC ZINC000821548746 606923260 /nfs/dbraw/zinc/92/32/60/606923260.db2.gz WOISVTOLGADKKE-UHFFFAOYSA-N -1 3 364.457 3.125 20 0 FGADHM CCc1nnc(Nc2cccc(N3CCCC3)c2)c(-c2nn[n-]n2)c1CC ZINC000821548746 606923262 /nfs/dbraw/zinc/92/32/62/606923262.db2.gz WOISVTOLGADKKE-UHFFFAOYSA-N -1 3 364.457 3.125 20 0 FGADHM C[C@@H](OC(=O)COC/C=C\c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820497041 606924002 /nfs/dbraw/zinc/92/40/02/606924002.db2.gz OYKZPQWYFQPBCP-GTBONMDNSA-N -1 3 364.405 3.201 20 0 FGADHM C[C@@H](OC(=O)COC/C=C\c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820497041 606924004 /nfs/dbraw/zinc/92/40/04/606924004.db2.gz OYKZPQWYFQPBCP-GTBONMDNSA-N -1 3 364.405 3.201 20 0 FGADHM C[C@H](OC(=O)COC/C=C/c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820497043 606924760 /nfs/dbraw/zinc/92/47/60/606924760.db2.gz OYKZPQWYFQPBCP-PXTSUWAFSA-N -1 3 364.405 3.201 20 0 FGADHM C[C@H](OC(=O)COC/C=C/c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820497043 606924762 /nfs/dbraw/zinc/92/47/62/606924762.db2.gz OYKZPQWYFQPBCP-PXTSUWAFSA-N -1 3 364.405 3.201 20 0 FGADHM Cl/C=C(/Cl)CN1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000822564099 606925419 /nfs/dbraw/zinc/92/54/19/606925419.db2.gz UBUQIXDMMBWXCJ-FMIVXFBMSA-N -1 3 354.241 3.029 20 0 FGADHM Cl/C=C(/Cl)CN1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000822564099 606925420 /nfs/dbraw/zinc/92/54/20/606925420.db2.gz UBUQIXDMMBWXCJ-FMIVXFBMSA-N -1 3 354.241 3.029 20 0 FGADHM Fc1ccc(CSc2ccc(Br)cn2)cc1-c1nnn[n-]1 ZINC000822774005 606926176 /nfs/dbraw/zinc/92/61/76/606926176.db2.gz DWCWPDWNKVFWPL-UHFFFAOYSA-N -1 3 366.219 3.456 20 0 FGADHM Fc1ccc(CSc2ccc(Br)cn2)cc1-c1nn[n-]n1 ZINC000822774005 606926177 /nfs/dbraw/zinc/92/61/77/606926177.db2.gz DWCWPDWNKVFWPL-UHFFFAOYSA-N -1 3 366.219 3.456 20 0 FGADHM CC(C)(C)NC(=O)c1cccc(NCc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000819922960 606926769 /nfs/dbraw/zinc/92/67/69/606926769.db2.gz ROJXUKWTEQJJGB-UHFFFAOYSA-N -1 3 368.416 3.146 20 0 FGADHM CC(C)(C)NC(=O)c1cccc(NCc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000819922960 606926770 /nfs/dbraw/zinc/92/67/70/606926770.db2.gz ROJXUKWTEQJJGB-UHFFFAOYSA-N -1 3 368.416 3.146 20 0 FGADHM CCc1nnc(NCCc2csc(C(C)C)n2)c(-c2nnn[n-]2)c1CC ZINC000821542768 606931141 /nfs/dbraw/zinc/93/11/41/606931141.db2.gz ZDCSCRONWJTVOA-UHFFFAOYSA-N -1 3 372.502 3.016 20 0 FGADHM CCc1nnc(NCCc2csc(C(C)C)n2)c(-c2nn[n-]n2)c1CC ZINC000821542768 606931142 /nfs/dbraw/zinc/93/11/42/606931142.db2.gz ZDCSCRONWJTVOA-UHFFFAOYSA-N -1 3 372.502 3.016 20 0 FGADHM CC(C)(CNc1nc2ccccc2cc1-c1nnn[n-]1)[C@@H]1CCCCO1 ZINC000819983762 606947506 /nfs/dbraw/zinc/94/75/06/606947506.db2.gz FHDVHFJWGLIPIX-INIZCTEOSA-N -1 3 352.442 3.422 20 0 FGADHM CC(C)(CNc1nc2ccccc2cc1-c1nn[n-]n1)[C@@H]1CCCCO1 ZINC000819983762 606947507 /nfs/dbraw/zinc/94/75/07/606947507.db2.gz FHDVHFJWGLIPIX-INIZCTEOSA-N -1 3 352.442 3.422 20 0 FGADHM C[C@H](C(=O)OCCCOc1cccc(-c2nnn[n-]2)c1)c1cccc(F)c1 ZINC000819883664 606949413 /nfs/dbraw/zinc/94/94/13/606949413.db2.gz KECXVRYRSUMOPB-ZDUSSCGKSA-N -1 3 370.384 3.122 20 0 FGADHM C[C@H](C(=O)OCCCOc1cccc(-c2nn[n-]n2)c1)c1cccc(F)c1 ZINC000819883664 606949414 /nfs/dbraw/zinc/94/94/14/606949414.db2.gz KECXVRYRSUMOPB-ZDUSSCGKSA-N -1 3 370.384 3.122 20 0 FGADHM Cc1ccc(Br)c(C(=O)Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822225233 606956068 /nfs/dbraw/zinc/95/60/68/606956068.db2.gz UGIQORLBUZKQAT-UHFFFAOYSA-N -1 3 359.183 3.157 20 0 FGADHM Cc1ccc(Br)c(C(=O)Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822225233 606956070 /nfs/dbraw/zinc/95/60/70/606956070.db2.gz UGIQORLBUZKQAT-UHFFFAOYSA-N -1 3 359.183 3.157 20 0 FGADHM CC(C)C[C@H](C)OCCC(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000820055662 606961954 /nfs/dbraw/zinc/96/19/54/606961954.db2.gz JLGVZWKSXSOYAG-LBPRGKRZSA-N -1 3 365.865 3.324 20 0 FGADHM CC(C)C[C@H](C)OCCC(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000820055662 606961956 /nfs/dbraw/zinc/96/19/56/606961956.db2.gz JLGVZWKSXSOYAG-LBPRGKRZSA-N -1 3 365.865 3.324 20 0 FGADHM CN(C(=O)c1ccn(C2CCCC2)n1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821574575 606964664 /nfs/dbraw/zinc/96/46/64/606964664.db2.gz MNQAVTWRCKUOIM-UHFFFAOYSA-N -1 3 371.832 3.108 20 0 FGADHM CN(C(=O)c1ccn(C2CCCC2)n1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821574575 606964667 /nfs/dbraw/zinc/96/46/67/606964667.db2.gz MNQAVTWRCKUOIM-UHFFFAOYSA-N -1 3 371.832 3.108 20 0 FGADHM C[C@@H]1CCc2sc(C(=O)N(C)c3ccccc3-c3nnn[n-]3)cc2C1 ZINC000820733872 606974630 /nfs/dbraw/zinc/97/46/30/606974630.db2.gz JQTYWLNEKVEKEM-LLVKDONJSA-N -1 3 353.451 3.330 20 0 FGADHM C[C@@H]1CCc2sc(C(=O)N(C)c3ccccc3-c3nn[n-]n3)cc2C1 ZINC000820733872 606974632 /nfs/dbraw/zinc/97/46/32/606974632.db2.gz JQTYWLNEKVEKEM-LLVKDONJSA-N -1 3 353.451 3.330 20 0 FGADHM Cc1ccccc1[C@H](C)SCC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000822345605 606989178 /nfs/dbraw/zinc/98/91/78/606989178.db2.gz LXRLQYNYDHOPQZ-AWEZNQCLSA-N -1 3 367.478 3.286 20 0 FGADHM Cc1ccccc1[C@H](C)SCC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000822345605 606989180 /nfs/dbraw/zinc/98/91/80/606989180.db2.gz LXRLQYNYDHOPQZ-AWEZNQCLSA-N -1 3 367.478 3.286 20 0 FGADHM C[C@@H](Cc1ccc(F)cc1)C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820294529 606996766 /nfs/dbraw/zinc/99/67/66/606996766.db2.gz UHBAYZBPAZUNOV-NSHDSACASA-N -1 3 358.348 3.067 20 0 FGADHM C[C@@H](Cc1ccc(F)cc1)C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820294529 606996767 /nfs/dbraw/zinc/99/67/67/606996767.db2.gz UHBAYZBPAZUNOV-NSHDSACASA-N -1 3 358.348 3.067 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000823421983 607001033 /nfs/dbraw/zinc/00/10/33/607001033.db2.gz LZIRRCSEFQZRST-NWDGAFQWSA-N -1 3 374.322 3.131 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000823421983 607001034 /nfs/dbraw/zinc/00/10/34/607001034.db2.gz LZIRRCSEFQZRST-NWDGAFQWSA-N -1 3 374.322 3.131 20 0 FGADHM C[C@H]1CCc2ccccc2N1C(=O)CSc1cccc(-c2nnn[n-]2)c1 ZINC000820736429 607009569 /nfs/dbraw/zinc/00/95/69/607009569.db2.gz ZJSKNYRBYHMIAI-ZDUSSCGKSA-N -1 3 365.462 3.327 20 0 FGADHM C[C@H]1CCc2ccccc2N1C(=O)CSc1cccc(-c2nn[n-]n2)c1 ZINC000820736429 607009571 /nfs/dbraw/zinc/00/95/71/607009571.db2.gz ZJSKNYRBYHMIAI-ZDUSSCGKSA-N -1 3 365.462 3.327 20 0 FGADHM O=C1[C@H](Sc2cccc(-c3nnn[n-]3)c2)CCN1c1c(F)cccc1F ZINC000823512191 607017470 /nfs/dbraw/zinc/01/74/70/607017470.db2.gz MGJGAFRZXCHUKR-CQSZACIVSA-N -1 3 373.388 3.043 20 0 FGADHM O=C1[C@H](Sc2cccc(-c3nn[n-]n3)c2)CCN1c1c(F)cccc1F ZINC000823512191 607017472 /nfs/dbraw/zinc/01/74/72/607017472.db2.gz MGJGAFRZXCHUKR-CQSZACIVSA-N -1 3 373.388 3.043 20 0 FGADHM Cc1ccc(NC(=O)COc2cc(-c3nnn[n-]3)ccc2C)cc1Cl ZINC000822248730 607031627 /nfs/dbraw/zinc/03/16/27/607031627.db2.gz LGBACUUUUPWGPX-UHFFFAOYSA-N -1 3 357.801 3.154 20 0 FGADHM Cc1ccc(NC(=O)COc2cc(-c3nn[n-]n3)ccc2C)cc1Cl ZINC000822248730 607031628 /nfs/dbraw/zinc/03/16/28/607031628.db2.gz LGBACUUUUPWGPX-UHFFFAOYSA-N -1 3 357.801 3.154 20 0 FGADHM Fc1ccc(-c2nnn[n-]2)c(CSCc2nc(-c3ccccc3)no2)c1 ZINC000822758015 607033816 /nfs/dbraw/zinc/03/38/16/607033816.db2.gz JETZDWULICZNMV-UHFFFAOYSA-N -1 3 368.397 3.489 20 0 FGADHM Fc1ccc(-c2nn[n-]n2)c(CSCc2nc(-c3ccccc3)no2)c1 ZINC000822758015 607033817 /nfs/dbraw/zinc/03/38/17/607033817.db2.gz JETZDWULICZNMV-UHFFFAOYSA-N -1 3 368.397 3.489 20 0 FGADHM C[C@H]1CC[C@@H](CC(=O)N2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)C1 ZINC000820683869 607036243 /nfs/dbraw/zinc/03/62/43/607036243.db2.gz INUSXRHZLJNEHV-LSDHHAIUSA-N -1 3 369.469 3.063 20 0 FGADHM C[C@H]1CC[C@@H](CC(=O)N2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)C1 ZINC000820683869 607036244 /nfs/dbraw/zinc/03/62/44/607036244.db2.gz INUSXRHZLJNEHV-LSDHHAIUSA-N -1 3 369.469 3.063 20 0 FGADHM Fc1cc(F)c2ncc(-c3nnn[n-]3)c(N3CCC(C(F)F)CC3)c2c1 ZINC000822754331 607040732 /nfs/dbraw/zinc/04/07/32/607040732.db2.gz YRTPVIMQMGDUGZ-UHFFFAOYSA-N -1 3 366.322 3.175 20 0 FGADHM Fc1cc(F)c2ncc(-c3nn[n-]n3)c(N3CCC(C(F)F)CC3)c2c1 ZINC000822754331 607040733 /nfs/dbraw/zinc/04/07/33/607040733.db2.gz YRTPVIMQMGDUGZ-UHFFFAOYSA-N -1 3 366.322 3.175 20 0 FGADHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)[C@H]1CCCc2ccccc21 ZINC000823413192 607078191 /nfs/dbraw/zinc/07/81/91/607078191.db2.gz CCHSTKTVQHEKRQ-KRWDZBQOSA-N -1 3 352.369 3.169 20 0 FGADHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)[C@H]1CCCc2ccccc21 ZINC000823413192 607078193 /nfs/dbraw/zinc/07/81/93/607078193.db2.gz CCHSTKTVQHEKRQ-KRWDZBQOSA-N -1 3 352.369 3.169 20 0 FGADHM C[C@@H](Cc1ccc(F)cc1)C(=O)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000820295117 607080515 /nfs/dbraw/zinc/08/05/15/607080515.db2.gz YMBMOVXOTMBFAQ-NSHDSACASA-N -1 3 358.348 3.067 20 0 FGADHM C[C@@H](Cc1ccc(F)cc1)C(=O)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000820295117 607080518 /nfs/dbraw/zinc/08/05/18/607080518.db2.gz YMBMOVXOTMBFAQ-NSHDSACASA-N -1 3 358.348 3.067 20 0 FGADHM CCOc1ccc(CCC(=O)OCc2cc(F)ccc2-c2nnn[n-]2)cc1 ZINC000821418272 607080860 /nfs/dbraw/zinc/08/08/60/607080860.db2.gz YMMUEAVRLABRBQ-UHFFFAOYSA-N -1 3 370.384 3.081 20 0 FGADHM CCOc1ccc(CCC(=O)OCc2cc(F)ccc2-c2nn[n-]n2)cc1 ZINC000821418272 607080862 /nfs/dbraw/zinc/08/08/62/607080862.db2.gz YMMUEAVRLABRBQ-UHFFFAOYSA-N -1 3 370.384 3.081 20 0 FGADHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)c1cc2cc(F)ccc2o1 ZINC000823417812 607084892 /nfs/dbraw/zinc/08/48/92/607084892.db2.gz JLQCOJQBBHBAMS-UHFFFAOYSA-N -1 3 356.288 3.248 20 0 FGADHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)c1cc2cc(F)ccc2o1 ZINC000823417812 607084893 /nfs/dbraw/zinc/08/48/93/607084893.db2.gz JLQCOJQBBHBAMS-UHFFFAOYSA-N -1 3 356.288 3.248 20 0 FGADHM Clc1ccccc1-n1ccc(NCc2cccc(-c3nnn[n-]3)c2)n1 ZINC000822585534 607125883 /nfs/dbraw/zinc/12/58/83/607125883.db2.gz CRACBNKZDQHXAE-UHFFFAOYSA-N -1 3 351.801 3.318 20 0 FGADHM Clc1ccccc1-n1ccc(NCc2cccc(-c3nn[n-]n3)c2)n1 ZINC000822585534 607125884 /nfs/dbraw/zinc/12/58/84/607125884.db2.gz CRACBNKZDQHXAE-UHFFFAOYSA-N -1 3 351.801 3.318 20 0 FGADHM CCCOc1cc(F)ccc1NCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000821127648 607131898 /nfs/dbraw/zinc/13/18/98/607131898.db2.gz LDZQDEAASKSREY-UHFFFAOYSA-N -1 3 357.389 3.415 20 0 FGADHM CCCOc1cc(F)ccc1NCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000821127648 607131900 /nfs/dbraw/zinc/13/19/00/607131900.db2.gz LDZQDEAASKSREY-UHFFFAOYSA-N -1 3 357.389 3.415 20 0 FGADHM Fc1cc(F)c2ncc(-c3nnn[n-]3)c(N[C@@H]3CCOC4(CCC4)C3)c2c1 ZINC000822753165 607133005 /nfs/dbraw/zinc/13/30/05/607133005.db2.gz HINVGXRLWCZAKD-LLVKDONJSA-N -1 3 372.379 3.207 20 0 FGADHM Fc1cc(F)c2ncc(-c3nn[n-]n3)c(N[C@@H]3CCOC4(CCC4)C3)c2c1 ZINC000822753165 607133006 /nfs/dbraw/zinc/13/30/06/607133006.db2.gz HINVGXRLWCZAKD-LLVKDONJSA-N -1 3 372.379 3.207 20 0 FGADHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1Cc1cc2ccccc2o1 ZINC000822505263 607133174 /nfs/dbraw/zinc/13/31/74/607133174.db2.gz FSMDMFCNNWMIIB-UHFFFAOYSA-N -1 3 357.377 3.228 20 0 FGADHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1Cc1cc2ccccc2o1 ZINC000822505263 607133176 /nfs/dbraw/zinc/13/31/76/607133176.db2.gz FSMDMFCNNWMIIB-UHFFFAOYSA-N -1 3 357.377 3.228 20 0 FGADHM Cc1ccc(C)c(NC(=O)[C@@H](C)Oc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000822231829 607134864 /nfs/dbraw/zinc/13/48/64/607134864.db2.gz ITUPSBWXPLTBML-GFCCVEGCSA-N -1 3 355.373 3.029 20 0 FGADHM Cc1ccc(C)c(NC(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000822231829 607134866 /nfs/dbraw/zinc/13/48/66/607134866.db2.gz ITUPSBWXPLTBML-GFCCVEGCSA-N -1 3 355.373 3.029 20 0 FGADHM CN(C(=O)/C=C\SCc1ccco1)c1ccc(-c2nnn[n-]2)cc1F ZINC000821569833 607144329 /nfs/dbraw/zinc/14/43/29/607144329.db2.gz XMFIHAJLXSDZED-VURMDHGXSA-N -1 3 359.386 3.009 20 0 FGADHM CN(C(=O)/C=C\SCc1ccco1)c1ccc(-c2nn[n-]n2)cc1F ZINC000821569833 607144330 /nfs/dbraw/zinc/14/43/30/607144330.db2.gz XMFIHAJLXSDZED-VURMDHGXSA-N -1 3 359.386 3.009 20 0 FGADHM C[C@@H](SCc1cccc(-c2nnn[n-]2)c1)c1cn(-c2ccccc2)nn1 ZINC000820548875 607149805 /nfs/dbraw/zinc/14/98/05/607149805.db2.gz HCTRPGFMLXHIGJ-CYBMUJFWSA-N -1 3 363.450 3.442 20 0 FGADHM C[C@@H](SCc1cccc(-c2nn[n-]n2)c1)c1cn(-c2ccccc2)nn1 ZINC000820548875 607149807 /nfs/dbraw/zinc/14/98/07/607149807.db2.gz HCTRPGFMLXHIGJ-CYBMUJFWSA-N -1 3 363.450 3.442 20 0 FGADHM Cc1cc(OC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)ccc1F ZINC000822210462 607158381 /nfs/dbraw/zinc/15/83/81/607158381.db2.gz CNQZFOLIINESRV-UHFFFAOYSA-N -1 3 356.357 3.077 20 0 FGADHM Cc1cc(OC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)ccc1F ZINC000822210462 607158382 /nfs/dbraw/zinc/15/83/82/607158382.db2.gz CNQZFOLIINESRV-UHFFFAOYSA-N -1 3 356.357 3.077 20 0 FGADHM Cc1c2c(nc(SCc3cnc(Cl)s3)c1-c1nnn[n-]1)CCC2 ZINC000822128532 607159782 /nfs/dbraw/zinc/15/97/82/607159782.db2.gz DCFDFPBMOFHQEJ-UHFFFAOYSA-N -1 3 364.887 3.461 20 0 FGADHM Cc1c2c(nc(SCc3cnc(Cl)s3)c1-c1nn[n-]n1)CCC2 ZINC000822128532 607159784 /nfs/dbraw/zinc/15/97/84/607159784.db2.gz DCFDFPBMOFHQEJ-UHFFFAOYSA-N -1 3 364.887 3.461 20 0 FGADHM O=C(c1ccc(-c2nnn[n-]2)cn1)N1CCC[C@H]1CCC1CCCCC1 ZINC000823478786 607165706 /nfs/dbraw/zinc/16/57/06/607165706.db2.gz SKJBNEKEEJSOAF-INIZCTEOSA-N -1 3 354.458 3.227 20 0 FGADHM O=C(c1ccc(-c2nn[n-]n2)cn1)N1CCC[C@H]1CCC1CCCCC1 ZINC000823478786 607165707 /nfs/dbraw/zinc/16/57/07/607165707.db2.gz SKJBNEKEEJSOAF-INIZCTEOSA-N -1 3 354.458 3.227 20 0 FGADHM Cc1ccccc1-c1nc(CNc2ccc(Cl)c(-c3nnn[n-]3)c2)no1 ZINC000822345440 607166218 /nfs/dbraw/zinc/16/62/18/607166218.db2.gz JDCXSTMBPNNHFX-UHFFFAOYSA-N -1 3 367.800 3.491 20 0 FGADHM Cc1ccccc1-c1nc(CNc2ccc(Cl)c(-c3nn[n-]n3)c2)no1 ZINC000822345440 607166220 /nfs/dbraw/zinc/16/62/20/607166220.db2.gz JDCXSTMBPNNHFX-UHFFFAOYSA-N -1 3 367.800 3.491 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1OCc1nnc(-c2ccc(Cl)cc2)o1 ZINC000822137625 607172916 /nfs/dbraw/zinc/17/29/16/607172916.db2.gz VZGUHJLSBCFJJM-UHFFFAOYSA-N -1 3 368.784 3.458 20 0 FGADHM CC1(C)[C@H](Nc2ccc(C(F)(F)F)cc2-c2nnn[n-]2)[C@H]2CCO[C@@H]21 ZINC000820584908 607173494 /nfs/dbraw/zinc/17/34/94/607173494.db2.gz LFAGGUDVQAMIQU-WQAKAFBOSA-N -1 3 353.348 3.111 20 0 FGADHM CC1(C)[C@H](Nc2ccc(C(F)(F)F)cc2-c2nn[n-]n2)[C@H]2CCO[C@@H]21 ZINC000820584908 607173495 /nfs/dbraw/zinc/17/34/95/607173495.db2.gz LFAGGUDVQAMIQU-WQAKAFBOSA-N -1 3 353.348 3.111 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1csc(-c2ccoc2)n1 ZINC000823318679 607190440 /nfs/dbraw/zinc/19/04/40/607190440.db2.gz HJBKRXPNJYHDRO-UHFFFAOYSA-N -1 3 372.797 3.489 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1csc(-c2ccoc2)n1 ZINC000823318679 607190441 /nfs/dbraw/zinc/19/04/41/607190441.db2.gz HJBKRXPNJYHDRO-UHFFFAOYSA-N -1 3 372.797 3.489 20 0 FGADHM C[C@@H](CCc1ccco1)NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820253436 607199828 /nfs/dbraw/zinc/19/98/28/607199828.db2.gz IIJJPOJQOSVLSM-JTQLQIEISA-N -1 3 360.805 3.256 20 0 FGADHM C[C@@H](CCc1ccco1)NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820253436 607199829 /nfs/dbraw/zinc/19/98/29/607199829.db2.gz IIJJPOJQOSVLSM-JTQLQIEISA-N -1 3 360.805 3.256 20 0 FGADHM CN(Cc1ccc(F)cc1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821611082 607202590 /nfs/dbraw/zinc/20/25/90/607202590.db2.gz PYNYQLXJJZYMHN-UHFFFAOYSA-N -1 3 360.780 3.323 20 0 FGADHM CN(Cc1ccc(F)cc1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821611082 607202591 /nfs/dbraw/zinc/20/25/91/607202591.db2.gz PYNYQLXJJZYMHN-UHFFFAOYSA-N -1 3 360.780 3.323 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N1CCC(C(F)F)CC1 ZINC000823314935 607203908 /nfs/dbraw/zinc/20/39/08/607203908.db2.gz UTZUOHOJNMUJSZ-UHFFFAOYSA-N -1 3 356.764 3.029 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N1CCC(C(F)F)CC1 ZINC000823314935 607203909 /nfs/dbraw/zinc/20/39/09/607203909.db2.gz UTZUOHOJNMUJSZ-UHFFFAOYSA-N -1 3 356.764 3.029 20 0 FGADHM CCCCC[C@H]1CCCN1C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000821050083 607206497 /nfs/dbraw/zinc/20/64/97/607206497.db2.gz PIQDFDJOEWNBFR-HNNXBMFYSA-N -1 3 360.437 3.260 20 0 FGADHM CCCCC[C@H]1CCCN1C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000821050083 607206498 /nfs/dbraw/zinc/20/64/98/607206498.db2.gz PIQDFDJOEWNBFR-HNNXBMFYSA-N -1 3 360.437 3.260 20 0 FGADHM O=C(c1ncc(-c2nnn[n-]2)cc1Cl)N1CCCC2(C1)CCCCCC2 ZINC000823498242 607234745 /nfs/dbraw/zinc/23/47/45/607234745.db2.gz INSYLRVCLXCYBV-UHFFFAOYSA-N -1 3 374.876 3.492 20 0 FGADHM O=C(c1ncc(-c2nn[n-]n2)cc1Cl)N1CCCC2(C1)CCCCCC2 ZINC000823498242 607234746 /nfs/dbraw/zinc/23/47/46/607234746.db2.gz INSYLRVCLXCYBV-UHFFFAOYSA-N -1 3 374.876 3.492 20 0 FGADHM C[C@H]1CCC[C@@H](N(C)C(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820696783 607237224 /nfs/dbraw/zinc/23/72/24/607237224.db2.gz CIKNFCJZXWLJHP-DZGCQCFKSA-N -1 3 357.458 3.061 20 0 FGADHM C[C@H]1CCC[C@@H](N(C)C(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820696783 607237225 /nfs/dbraw/zinc/23/72/25/607237225.db2.gz CIKNFCJZXWLJHP-DZGCQCFKSA-N -1 3 357.458 3.061 20 0 FGADHM COCCN(C(=O)c1ccc(Cl)cc1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821689355 607239232 /nfs/dbraw/zinc/23/92/32/607239232.db2.gz XINDQFAXLLJGHC-UHFFFAOYSA-N -1 3 371.828 3.122 20 0 FGADHM COCCN(C(=O)c1ccc(Cl)cc1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821689355 607239233 /nfs/dbraw/zinc/23/92/33/607239233.db2.gz XINDQFAXLLJGHC-UHFFFAOYSA-N -1 3 371.828 3.122 20 0 FGADHM CC[C@@H](Sc1ccccc1)C(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000820939579 607246694 /nfs/dbraw/zinc/24/66/94/607246694.db2.gz WKXMPNWZYGKRLY-OAHLLOKOSA-N -1 3 358.398 3.482 20 0 FGADHM CC[C@@H](Sc1ccccc1)C(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000820939579 607246695 /nfs/dbraw/zinc/24/66/95/607246695.db2.gz WKXMPNWZYGKRLY-OAHLLOKOSA-N -1 3 358.398 3.482 20 0 FGADHM Cc1oc(-c2ccccc2)nc1C(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000822535551 607246979 /nfs/dbraw/zinc/24/69/79/607246979.db2.gz WCVHHDSECSFOIQ-UHFFFAOYSA-N -1 3 365.324 3.188 20 0 FGADHM Cc1oc(-c2ccccc2)nc1C(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000822535551 607246980 /nfs/dbraw/zinc/24/69/80/607246980.db2.gz WCVHHDSECSFOIQ-UHFFFAOYSA-N -1 3 365.324 3.188 20 0 FGADHM Cc1cc(OC(F)F)c(C(=O)Oc2ccc(-c3nnn[n-]3)cc2F)s1 ZINC000822210565 607248028 /nfs/dbraw/zinc/24/80/28/607248028.db2.gz HXRLVWBHTFXJHX-UHFFFAOYSA-N -1 3 370.312 3.196 20 0 FGADHM Cc1cc(OC(F)F)c(C(=O)Oc2ccc(-c3nn[n-]n3)cc2F)s1 ZINC000822210565 607248029 /nfs/dbraw/zinc/24/80/29/607248029.db2.gz HXRLVWBHTFXJHX-UHFFFAOYSA-N -1 3 370.312 3.196 20 0 FGADHM CN(C(=O)CCCOc1ccccc1Cl)c1ccccc1-c1nnn[n-]1 ZINC000825817744 607789123 /nfs/dbraw/zinc/78/91/23/607789123.db2.gz ODJYXBKEAVXHJI-UHFFFAOYSA-N -1 3 371.828 3.342 20 0 FGADHM CN(C(=O)CCCOc1ccccc1Cl)c1ccccc1-c1nn[n-]n1 ZINC000825817744 607789124 /nfs/dbraw/zinc/78/91/24/607789124.db2.gz ODJYXBKEAVXHJI-UHFFFAOYSA-N -1 3 371.828 3.342 20 0 FGADHM CCN(C(=O)[C@@H]1C[C@H]1c1cccc(OC)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367801 607796243 /nfs/dbraw/zinc/79/62/43/607796243.db2.gz WZWWWMARCONXBV-ZWKOTPCHSA-N -1 3 363.421 3.032 20 0 FGADHM CCN(C(=O)[C@@H]1C[C@H]1c1cccc(OC)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367801 607796244 /nfs/dbraw/zinc/79/62/44/607796244.db2.gz WZWWWMARCONXBV-ZWKOTPCHSA-N -1 3 363.421 3.032 20 0 FGADHM CCO[C@@H](C)c1ncc(C(=O)N(CC)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000825577785 607796775 /nfs/dbraw/zinc/79/67/75/607796775.db2.gz ZYPUWKOCFPLSBB-NSHDSACASA-N -1 3 372.454 3.087 20 0 FGADHM CCO[C@@H](C)c1ncc(C(=O)N(CC)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000825577785 607796776 /nfs/dbraw/zinc/79/67/76/607796776.db2.gz ZYPUWKOCFPLSBB-NSHDSACASA-N -1 3 372.454 3.087 20 0 FGADHM CCN(C(=O)[C@H]1C[C@H]1c1sccc1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367546 607797117 /nfs/dbraw/zinc/79/71/17/607797117.db2.gz SKJOPIZQTAFZKZ-CABCVRRESA-N -1 3 353.451 3.393 20 0 FGADHM CCN(C(=O)[C@H]1C[C@H]1c1sccc1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367546 607797118 /nfs/dbraw/zinc/79/71/18/607797118.db2.gz SKJOPIZQTAFZKZ-CABCVRRESA-N -1 3 353.451 3.393 20 0 FGADHM CCN(C(=O)CCCOc1ccc(F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825372042 607797415 /nfs/dbraw/zinc/79/74/15/607797415.db2.gz QLCFNGLNLFIDGC-UHFFFAOYSA-N -1 3 369.400 3.218 20 0 FGADHM CCN(C(=O)CCCOc1ccc(F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825372042 607797416 /nfs/dbraw/zinc/79/74/16/607797416.db2.gz QLCFNGLNLFIDGC-UHFFFAOYSA-N -1 3 369.400 3.218 20 0 FGADHM CC[C@H](OC1CCCCC1)C(=O)N(CC)c1ccc(-c2nnn[n-]2)cc1 ZINC000825154980 607800797 /nfs/dbraw/zinc/80/07/97/607800797.db2.gz WSJGTZRCDFMQCA-KRWDZBQOSA-N -1 3 357.458 3.348 20 0 FGADHM CC[C@H](OC1CCCCC1)C(=O)N(CC)c1ccc(-c2nn[n-]n2)cc1 ZINC000825154980 607800798 /nfs/dbraw/zinc/80/07/98/607800798.db2.gz WSJGTZRCDFMQCA-KRWDZBQOSA-N -1 3 357.458 3.348 20 0 FGADHM CCCC(CCC)C(=O)OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000825242244 607804715 /nfs/dbraw/zinc/80/47/15/607804715.db2.gz MASFYFOLNKLUND-UHFFFAOYSA-N -1 3 370.413 3.176 20 0 FGADHM CCCC(CCC)C(=O)OCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000825242244 607804716 /nfs/dbraw/zinc/80/47/16/607804716.db2.gz MASFYFOLNKLUND-UHFFFAOYSA-N -1 3 370.413 3.176 20 0 FGADHM Clc1ccccc1OC[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC000826353805 607820304 /nfs/dbraw/zinc/82/03/04/607820304.db2.gz DUFZZBPPBKYJQK-ZDUSSCGKSA-N -1 3 370.844 3.211 20 0 FGADHM Clc1ccccc1OC[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC000826353805 607820305 /nfs/dbraw/zinc/82/03/05/607820305.db2.gz DUFZZBPPBKYJQK-ZDUSSCGKSA-N -1 3 370.844 3.211 20 0 FGADHM c1cc(N2CCCC2)ncc1CNc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000826516888 607839947 /nfs/dbraw/zinc/83/99/47/607839947.db2.gz GPUWQBFSXOUNKX-UHFFFAOYSA-N -1 3 372.436 3.022 20 0 FGADHM c1cc(N2CCCC2)ncc1CNc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000826516888 607839948 /nfs/dbraw/zinc/83/99/48/607839948.db2.gz GPUWQBFSXOUNKX-UHFFFAOYSA-N -1 3 372.436 3.022 20 0 FGADHM C[C@@H]1CN(c2ccc3cc(-c4nnn[n-]4)ccc3n2)C[C@H](c2ccccc2)O1 ZINC000824999121 607840272 /nfs/dbraw/zinc/84/02/72/607840272.db2.gz CNTYPGRJNDMMMM-AUUYWEPGSA-N -1 3 372.432 3.381 20 0 FGADHM C[C@@H]1CN(c2ccc3cc(-c4nn[n-]n4)ccc3n2)C[C@H](c2ccccc2)O1 ZINC000824999121 607840273 /nfs/dbraw/zinc/84/02/73/607840273.db2.gz CNTYPGRJNDMMMM-AUUYWEPGSA-N -1 3 372.432 3.381 20 0 FGADHM OCC[C@H](Nc1ccc2cc(-c3nnn[n-]3)ccc2n1)c1cccs1 ZINC000826509333 607842528 /nfs/dbraw/zinc/84/25/28/607842528.db2.gz SESLUKDKSIDBDK-AWEZNQCLSA-N -1 3 352.423 3.012 20 0 FGADHM OCC[C@H](Nc1ccc2cc(-c3nn[n-]n3)ccc2n1)c1cccs1 ZINC000826509333 607842529 /nfs/dbraw/zinc/84/25/29/607842529.db2.gz SESLUKDKSIDBDK-AWEZNQCLSA-N -1 3 352.423 3.012 20 0 FGADHM O[C@@H](CSc1ccc(-c2nnn[n-]2)cc1Cl)c1cccc(F)c1 ZINC000826504910 607843189 /nfs/dbraw/zinc/84/31/89/607843189.db2.gz HUPFGWZDCFVFSV-ZDUSSCGKSA-N -1 3 350.806 3.485 20 0 FGADHM O[C@@H](CSc1ccc(-c2nn[n-]n2)cc1Cl)c1cccc(F)c1 ZINC000826504910 607843190 /nfs/dbraw/zinc/84/31/90/607843190.db2.gz HUPFGWZDCFVFSV-ZDUSSCGKSA-N -1 3 350.806 3.485 20 0 FGADHM CC(C)(C)OC(=O)NCCSc1ccc(-c2nnn[n-]2)cc1Cl ZINC000824114333 607844145 /nfs/dbraw/zinc/84/41/45/607844145.db2.gz OPVQCEAARSTCEX-UHFFFAOYSA-N -1 3 355.851 3.137 20 0 FGADHM CC(C)(C)OC(=O)NCCSc1ccc(-c2nn[n-]n2)cc1Cl ZINC000824114333 607844146 /nfs/dbraw/zinc/84/41/46/607844146.db2.gz OPVQCEAARSTCEX-UHFFFAOYSA-N -1 3 355.851 3.137 20 0 FGADHM CN(Cc1ccccc1)C(=O)CSc1ccc(-c2nnn[n-]2)cc1Cl ZINC000825981456 607844573 /nfs/dbraw/zinc/84/45/73/607844573.db2.gz SFXKCQRXGQTGRB-UHFFFAOYSA-N -1 3 373.869 3.271 20 0 FGADHM CN(Cc1ccccc1)C(=O)CSc1ccc(-c2nn[n-]n2)cc1Cl ZINC000825981456 607844574 /nfs/dbraw/zinc/84/45/74/607844574.db2.gz SFXKCQRXGQTGRB-UHFFFAOYSA-N -1 3 373.869 3.271 20 0 FGADHM CC1(NC(=O)c2cccc(COc3ccccc3-c3nnn[n-]3)c2)CCC1 ZINC000824837588 607855141 /nfs/dbraw/zinc/85/51/41/607855141.db2.gz GXBFUZCISHKHSY-UHFFFAOYSA-N -1 3 363.421 3.118 20 0 FGADHM CC1(NC(=O)c2cccc(COc3ccccc3-c3nn[n-]n3)c2)CCC1 ZINC000824837588 607855142 /nfs/dbraw/zinc/85/51/42/607855142.db2.gz GXBFUZCISHKHSY-UHFFFAOYSA-N -1 3 363.421 3.118 20 0 FGADHM COc1ccc2ccc(OC[C@@H](O)c3ccc(-c4nnn[n-]4)cc3)cc2c1 ZINC000826213503 607872223 /nfs/dbraw/zinc/87/22/23/607872223.db2.gz ZBISSPHAFAYFMU-LJQANCHMSA-N -1 3 362.389 3.141 20 0 FGADHM COc1ccc2ccc(OC[C@@H](O)c3ccc(-c4nn[n-]n4)cc3)cc2c1 ZINC000826213503 607872224 /nfs/dbraw/zinc/87/22/24/607872224.db2.gz ZBISSPHAFAYFMU-LJQANCHMSA-N -1 3 362.389 3.141 20 0 FGADHM CC(=O)c1ccc2cc(OC[C@H](O)c3ccc(-c4nnn[n-]4)cc3)ccc2c1 ZINC000824029667 607876225 /nfs/dbraw/zinc/87/62/25/607876225.db2.gz PGSNHKHZUGAUHA-FQEVSTJZSA-N -1 3 374.400 3.335 20 0 FGADHM CC(=O)c1ccc2cc(OC[C@H](O)c3ccc(-c4nn[n-]n4)cc3)ccc2c1 ZINC000824029667 607876226 /nfs/dbraw/zinc/87/62/26/607876226.db2.gz PGSNHKHZUGAUHA-FQEVSTJZSA-N -1 3 374.400 3.335 20 0 FGADHM CCN(C(=O)COCc1ccccc1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825371467 607877910 /nfs/dbraw/zinc/87/79/10/607877910.db2.gz HCFBQQTVXMTPBP-UHFFFAOYSA-N -1 3 371.828 3.090 20 0 FGADHM CCN(C(=O)COCc1ccccc1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825371467 607877911 /nfs/dbraw/zinc/87/79/11/607877911.db2.gz HCFBQQTVXMTPBP-UHFFFAOYSA-N -1 3 371.828 3.090 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@@H](C)Cc1cccc(Cl)c1 ZINC000826173928 607880401 /nfs/dbraw/zinc/88/04/01/607880401.db2.gz BGDYJLFDXKSRNC-NSHDSACASA-N -1 3 372.812 3.313 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@@H](C)Cc1cccc(Cl)c1 ZINC000826173928 607880402 /nfs/dbraw/zinc/88/04/02/607880402.db2.gz BGDYJLFDXKSRNC-NSHDSACASA-N -1 3 372.812 3.313 20 0 FGADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000825958470 607881271 /nfs/dbraw/zinc/88/12/71/607881271.db2.gz XVVYFPSCIOVHNR-BPQIPLTHSA-N -1 3 353.470 3.432 20 0 FGADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000825958470 607881272 /nfs/dbraw/zinc/88/12/72/607881272.db2.gz XVVYFPSCIOVHNR-BPQIPLTHSA-N -1 3 353.470 3.432 20 0 FGADHM Clc1ccc(OCCn2ccc(-c3nnn[n-]3)c2)c(Br)c1 ZINC000826352958 607891999 /nfs/dbraw/zinc/89/19/99/607891999.db2.gz VPEQHMRLUZLQAP-UHFFFAOYSA-N -1 3 368.622 3.163 20 0 FGADHM Clc1ccc(OCCn2ccc(-c3nn[n-]n3)c2)c(Br)c1 ZINC000826352958 607892000 /nfs/dbraw/zinc/89/20/00/607892000.db2.gz VPEQHMRLUZLQAP-UHFFFAOYSA-N -1 3 368.622 3.163 20 0 FGADHM C[C@H](Cc1cccc(Cl)c1)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000824457104 607905912 /nfs/dbraw/zinc/90/59/12/607905912.db2.gz FDQYSNLUDGWBRZ-LLVKDONJSA-N -1 3 373.819 3.154 20 0 FGADHM C[C@H](Cc1cccc(Cl)c1)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000824457104 607905913 /nfs/dbraw/zinc/90/59/13/607905913.db2.gz FDQYSNLUDGWBRZ-LLVKDONJSA-N -1 3 373.819 3.154 20 0 FGADHM CC(C)CSCCCNC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000824276071 607911688 /nfs/dbraw/zinc/91/16/88/607911688.db2.gz ZBWGBMRTYMLCKM-ZDUSSCGKSA-N -1 3 362.503 3.006 20 0 FGADHM CC(C)CSCCCNC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000824276071 607911689 /nfs/dbraw/zinc/91/16/89/607911689.db2.gz ZBWGBMRTYMLCKM-ZDUSSCGKSA-N -1 3 362.503 3.006 20 0 FGADHM CCc1c(C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cnn1CC(C)C ZINC000825687559 607924259 /nfs/dbraw/zinc/92/42/59/607924259.db2.gz JETFEKZCFNLEMP-ZDUSSCGKSA-N -1 3 368.441 3.200 20 0 FGADHM CCc1c(C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cnn1CC(C)C ZINC000825687559 607924260 /nfs/dbraw/zinc/92/42/60/607924260.db2.gz JETFEKZCFNLEMP-ZDUSSCGKSA-N -1 3 368.441 3.200 20 0 FGADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1CC=C(C(F)(F)F)CC1 ZINC000826304420 607935657 /nfs/dbraw/zinc/93/56/57/607935657.db2.gz KKZFDJCWIVGSNB-UHFFFAOYSA-N -1 3 360.343 3.422 20 0 FGADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N1CC=C(C(F)(F)F)CC1 ZINC000826304420 607935658 /nfs/dbraw/zinc/93/56/58/607935658.db2.gz KKZFDJCWIVGSNB-UHFFFAOYSA-N -1 3 360.343 3.422 20 0 FGADHM O=C(N1CCc2ccc(-c3nnn[n-]3)cc21)C1(c2cccc(Cl)c2)CC1 ZINC000826426567 607947524 /nfs/dbraw/zinc/94/75/24/607947524.db2.gz QIHIYQXPEZZVCO-UHFFFAOYSA-N -1 3 365.824 3.141 20 0 FGADHM O=C(N1CCc2ccc(-c3nn[n-]n3)cc21)C1(c2cccc(Cl)c2)CC1 ZINC000826426567 607947525 /nfs/dbraw/zinc/94/75/25/607947525.db2.gz QIHIYQXPEZZVCO-UHFFFAOYSA-N -1 3 365.824 3.141 20 0 FGADHM O=C([C@@H]1CCC[C@@H](C(F)(F)F)C1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826398965 607953503 /nfs/dbraw/zinc/95/35/03/607953503.db2.gz JKIGRDVZWUIJOM-CHWSQXEVSA-N -1 3 365.359 3.125 20 0 FGADHM O=C([C@@H]1CCC[C@@H](C(F)(F)F)C1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826398965 607953504 /nfs/dbraw/zinc/95/35/04/607953504.db2.gz JKIGRDVZWUIJOM-CHWSQXEVSA-N -1 3 365.359 3.125 20 0 FGADHM C[C@@H](OC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)c1ccncc1 ZINC000824713480 607959328 /nfs/dbraw/zinc/95/93/28/607959328.db2.gz IRNSDWJLUPNKSX-CQSZACIVSA-N -1 3 367.409 3.115 20 0 FGADHM C[C@@H](OC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)c1ccncc1 ZINC000824713480 607959329 /nfs/dbraw/zinc/95/93/29/607959329.db2.gz IRNSDWJLUPNKSX-CQSZACIVSA-N -1 3 367.409 3.115 20 0 FGADHM CC[C@H](NC(=O)Nc1cccc(-c2nnn[n-]2)c1C)c1c(C)noc1C ZINC000825134830 607961630 /nfs/dbraw/zinc/96/16/30/607961630.db2.gz XFHGXTJTYPXRIW-ZDUSSCGKSA-N -1 3 355.402 3.053 20 0 FGADHM CC[C@H](NC(=O)Nc1cccc(-c2nn[n-]n2)c1C)c1c(C)noc1C ZINC000825134830 607961631 /nfs/dbraw/zinc/96/16/31/607961631.db2.gz XFHGXTJTYPXRIW-ZDUSSCGKSA-N -1 3 355.402 3.053 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C1CCC(F)(F)CC1 ZINC000825314229 607970314 /nfs/dbraw/zinc/97/03/14/607970314.db2.gz YYVNVFQHFJICBS-UHFFFAOYSA-N -1 3 363.412 3.431 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C1CCC(F)(F)CC1 ZINC000825314229 607970315 /nfs/dbraw/zinc/97/03/15/607970315.db2.gz YYVNVFQHFJICBS-UHFFFAOYSA-N -1 3 363.412 3.431 20 0 FGADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1-c1cnc(-c2ccccn2)s1 ZINC000825782533 607975295 /nfs/dbraw/zinc/97/52/95/607975295.db2.gz GOCQIGIQJLNHAQ-UHFFFAOYSA-N -1 3 374.433 3.422 20 0 FGADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1cnc(-c2ccccn2)s1 ZINC000825782533 607975296 /nfs/dbraw/zinc/97/52/96/607975296.db2.gz GOCQIGIQJLNHAQ-UHFFFAOYSA-N -1 3 374.433 3.422 20 0 FGADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1-c1cnc(-c2ccncc2)s1 ZINC000825782607 607975831 /nfs/dbraw/zinc/97/58/31/607975831.db2.gz IVAGQJOKVMOMLJ-UHFFFAOYSA-N -1 3 374.433 3.422 20 0 FGADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1cnc(-c2ccncc2)s1 ZINC000825782607 607975832 /nfs/dbraw/zinc/97/58/32/607975832.db2.gz IVAGQJOKVMOMLJ-UHFFFAOYSA-N -1 3 374.433 3.422 20 0 FGADHM COc1cc(C(=O)OCc2ccc(F)cc2-c2nnn[n-]2)ccc1Cl ZINC000826177582 607979515 /nfs/dbraw/zinc/97/95/15/607979515.db2.gz NNYDWWKNOGMQGJ-UHFFFAOYSA-N -1 3 362.748 3.025 20 0 FGADHM COc1cc(C(=O)OCc2ccc(F)cc2-c2nn[n-]n2)ccc1Cl ZINC000826177582 607979516 /nfs/dbraw/zinc/97/95/16/607979516.db2.gz NNYDWWKNOGMQGJ-UHFFFAOYSA-N -1 3 362.748 3.025 20 0 FGADHM O=C(Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1)c1cnco1 ZINC000826455188 607986889 /nfs/dbraw/zinc/98/68/89/607986889.db2.gz CTOGYJFYIYFBLX-UHFFFAOYSA-N -1 3 366.312 3.038 20 0 FGADHM O=C(Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1)c1cnco1 ZINC000826455188 607986890 /nfs/dbraw/zinc/98/68/90/607986890.db2.gz CTOGYJFYIYFBLX-UHFFFAOYSA-N -1 3 366.312 3.038 20 0 FGADHM C[C@H](OC(=O)c1cnc2ccc(F)cc2c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824721737 607992437 /nfs/dbraw/zinc/99/24/37/607992437.db2.gz DAMIRJWKUNOSPP-NSHDSACASA-N -1 3 363.352 3.472 20 0 FGADHM C[C@H](OC(=O)c1cnc2ccc(F)cc2c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824721737 607992438 /nfs/dbraw/zinc/99/24/38/607992438.db2.gz DAMIRJWKUNOSPP-NSHDSACASA-N -1 3 363.352 3.472 20 0 FGADHM COc1ccc(C[C@@H](C)C(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1 ZINC000826190700 607994852 /nfs/dbraw/zinc/99/48/52/607994852.db2.gz KHHCVXBRHMOGAZ-GFCCVEGCSA-N -1 3 351.410 3.001 20 0 FGADHM COc1ccc(C[C@@H](C)C(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1 ZINC000826190700 607994851 /nfs/dbraw/zinc/99/48/51/607994851.db2.gz KHHCVXBRHMOGAZ-GFCCVEGCSA-N -1 3 351.410 3.001 20 0 FGADHM Cc1cc([C@@H](NC(=O)c2ccc(-c3nnn[n-]3)cc2)C2CC2)ccc1F ZINC000826262723 608009699 /nfs/dbraw/zinc/00/96/99/608009699.db2.gz WXCIQLMQYDKMFU-KRWDZBQOSA-N -1 3 351.385 3.195 20 0 FGADHM Cc1cc([C@@H](NC(=O)c2ccc(-c3nn[n-]n3)cc2)C2CC2)ccc1F ZINC000826262723 608009700 /nfs/dbraw/zinc/00/97/00/608009700.db2.gz WXCIQLMQYDKMFU-KRWDZBQOSA-N -1 3 351.385 3.195 20 0 FGADHM Cc1nc(CNc2ccc(-c3nn[n-]n3)cc2Br)cs1 ZINC000826326109 608048198 /nfs/dbraw/zinc/04/81/98/608048198.db2.gz AIBDQRVEOQJDCT-UHFFFAOYSA-N -1 3 351.233 3.006 20 0 FGADHM CCC(CC)[C@@H](C)C(=O)Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000825097168 608063474 /nfs/dbraw/zinc/06/34/74/608063474.db2.gz UNHBONULZWHWKN-GFCCVEGCSA-N -1 3 353.430 3.063 20 0 FGADHM C[C@@H](OC(=O)c1cccc([C@H]2CCOC2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824722937 608067175 /nfs/dbraw/zinc/06/71/75/608067175.db2.gz KNEHOOMKHRIMHL-ACJLOTCBSA-N -1 3 364.405 3.289 20 0 FGADHM C[C@@H](OC(=O)c1cccc([C@H]2CCOC2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824722937 608067176 /nfs/dbraw/zinc/06/71/76/608067176.db2.gz KNEHOOMKHRIMHL-ACJLOTCBSA-N -1 3 364.405 3.289 20 0 FGADHM COc1ccc(COC(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1Cl ZINC000826204907 608072556 /nfs/dbraw/zinc/07/25/56/608072556.db2.gz CPJSKIXDZJOIJD-VQHVLOKHSA-N -1 3 370.796 3.285 20 0 FGADHM COc1ccc(COC(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1Cl ZINC000826204907 608072557 /nfs/dbraw/zinc/07/25/57/608072557.db2.gz CPJSKIXDZJOIJD-VQHVLOKHSA-N -1 3 370.796 3.285 20 0 FGADHM Cc1ccc(Br)c(NC(=O)c2ccc(-c3nnn[n-]3)cc2C)c1 ZINC000826281128 608072849 /nfs/dbraw/zinc/07/28/49/608072849.db2.gz GDPXWWPRUWWEFV-UHFFFAOYSA-N -1 3 372.226 3.498 20 0 FGADHM Cc1ccc(Br)c(NC(=O)c2ccc(-c3nn[n-]n3)cc2C)c1 ZINC000826281128 608072850 /nfs/dbraw/zinc/07/28/50/608072850.db2.gz GDPXWWPRUWWEFV-UHFFFAOYSA-N -1 3 372.226 3.498 20 0 FGADHM O=C(CCCC1CCCC1)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826406151 608082181 /nfs/dbraw/zinc/08/21/81/608082181.db2.gz KORQXNSMMGSMAQ-SFHVURJKSA-N -1 3 369.469 3.127 20 0 FGADHM O=C(CCCC1CCCC1)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826406151 608082182 /nfs/dbraw/zinc/08/21/82/608082182.db2.gz KORQXNSMMGSMAQ-SFHVURJKSA-N -1 3 369.469 3.127 20 0 FGADHM Fc1ccccc1N1CCC[C@@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC000826378468 608098865 /nfs/dbraw/zinc/09/88/65/608098865.db2.gz LMSVBTWJXWJXIF-GFCCVEGCSA-N -1 3 373.823 3.135 20 0 FGADHM Fc1ccccc1N1CCC[C@@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC000826378468 608098866 /nfs/dbraw/zinc/09/88/66/608098866.db2.gz LMSVBTWJXWJXIF-GFCCVEGCSA-N -1 3 373.823 3.135 20 0 FGADHM C[C@H](NC(=O)Nc1scnc1C1CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000824507016 608106351 /nfs/dbraw/zinc/10/63/51/608106351.db2.gz RXWSGBOPIGPVLA-VIFPVBQESA-N -1 3 355.427 3.083 20 0 FGADHM C[C@H](NC(=O)Nc1scnc1C1CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000824507016 608106352 /nfs/dbraw/zinc/10/63/52/608106352.db2.gz RXWSGBOPIGPVLA-VIFPVBQESA-N -1 3 355.427 3.083 20 0 FGADHM COCCOc1ccc(-c2nnn[n-]2)cc1NCc1ccc(C)c(C)c1 ZINC000826162147 608135704 /nfs/dbraw/zinc/13/57/04/608135704.db2.gz PATONCCSGSHKSF-UHFFFAOYSA-N -1 3 353.426 3.121 20 0 FGADHM COCCOc1ccc(-c2nn[n-]n2)cc1NCc1ccc(C)c(C)c1 ZINC000826162147 608135705 /nfs/dbraw/zinc/13/57/05/608135705.db2.gz PATONCCSGSHKSF-UHFFFAOYSA-N -1 3 353.426 3.121 20 0 FGADHM COCCOc1ccc(-c2nnn[n-]2)cc1NC/C=C\c1ccccc1 ZINC000826161820 608136139 /nfs/dbraw/zinc/13/61/39/608136139.db2.gz BBKFMOSGNKCTTC-YVMONPNESA-N -1 3 351.410 3.017 20 0 FGADHM COCCOc1ccc(-c2nn[n-]n2)cc1NC/C=C\c1ccccc1 ZINC000826161820 608136140 /nfs/dbraw/zinc/13/61/40/608136140.db2.gz BBKFMOSGNKCTTC-YVMONPNESA-N -1 3 351.410 3.017 20 0 FGADHM COCCOc1ccc(-c2nnn[n-]2)cc1NCc1ccc([C@H]2C[C@@H]2C)o1 ZINC000826161931 608136343 /nfs/dbraw/zinc/13/63/43/608136343.db2.gz FYWQTPAWFLTWLU-WFASDCNBSA-N -1 3 369.425 3.220 20 0 FGADHM COCCOc1ccc(-c2nn[n-]n2)cc1NCc1ccc([C@H]2C[C@@H]2C)o1 ZINC000826161931 608136344 /nfs/dbraw/zinc/13/63/44/608136344.db2.gz FYWQTPAWFLTWLU-WFASDCNBSA-N -1 3 369.425 3.220 20 0 FGADHM C[C@@H](NC(=O)N1CC[C@H](C)C2(CCC2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000824487355 608163029 /nfs/dbraw/zinc/16/30/29/608163029.db2.gz ARHMJPIUZITBNZ-UONOGXRCSA-N -1 3 354.458 3.149 20 0 FGADHM C[C@@H](NC(=O)N1CC[C@H](C)C2(CCC2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000824487355 608163031 /nfs/dbraw/zinc/16/30/31/608163031.db2.gz ARHMJPIUZITBNZ-UONOGXRCSA-N -1 3 354.458 3.149 20 0 FGADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)[C@@H](C)c1cccs1 ZINC000825787492 608176646 /nfs/dbraw/zinc/17/66/46/608176646.db2.gz GPUSENGKNDJDNB-JTQLQIEISA-N -1 3 367.438 3.040 20 0 FGADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)[C@@H](C)c1cccs1 ZINC000825787492 608176648 /nfs/dbraw/zinc/17/66/48/608176648.db2.gz GPUSENGKNDJDNB-JTQLQIEISA-N -1 3 367.438 3.040 20 0 FGADHM CCCC(=CC(=O)O[C@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1)CCC ZINC000825219421 608178860 /nfs/dbraw/zinc/17/88/60/608178860.db2.gz JLBGCQRFBCFDEV-CYBMUJFWSA-N -1 3 371.441 3.264 20 0 FGADHM CCCC(=CC(=O)O[C@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1)CCC ZINC000825219421 608178863 /nfs/dbraw/zinc/17/88/63/608178863.db2.gz JLBGCQRFBCFDEV-CYBMUJFWSA-N -1 3 371.441 3.264 20 0 FGADHM CCCn1nc(C)c(C(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1C ZINC000825363244 608182286 /nfs/dbraw/zinc/18/22/86/608182286.db2.gz WDWJSYNPWAMFRU-CYBMUJFWSA-N -1 3 354.414 3.008 20 0 FGADHM CCCn1nc(C)c(C(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1C ZINC000825363244 608182287 /nfs/dbraw/zinc/18/22/87/608182287.db2.gz WDWJSYNPWAMFRU-CYBMUJFWSA-N -1 3 354.414 3.008 20 0 FGADHM Cc1ccc(O[C@@H](C)C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826292208 608185828 /nfs/dbraw/zinc/18/58/28/608185828.db2.gz LRNCOGZFWQOPFX-KBPBESRZSA-N -1 3 352.394 3.247 20 0 FGADHM Cc1ccc(O[C@@H](C)C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826292208 608185830 /nfs/dbraw/zinc/18/58/30/608185830.db2.gz LRNCOGZFWQOPFX-KBPBESRZSA-N -1 3 352.394 3.247 20 0 FGADHM CCN(Cc1ncn(-c2ccccc2)n1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825444818 608204023 /nfs/dbraw/zinc/20/40/23/608204023.db2.gz RRJHEFCZHZRZNQ-OAHLLOKOSA-N -1 3 374.452 3.031 20 0 FGADHM CCN(Cc1ncn(-c2ccccc2)n1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825444818 608204024 /nfs/dbraw/zinc/20/40/24/608204024.db2.gz RRJHEFCZHZRZNQ-OAHLLOKOSA-N -1 3 374.452 3.031 20 0 FGADHM CCO[C@H](C)c1noc(CSc2cccc(Cl)c2-c2nnn[n-]2)n1 ZINC000825576354 608206853 /nfs/dbraw/zinc/20/68/53/608206853.db2.gz DYNOIRWNRIOSIK-MRVPVSSYSA-N -1 3 366.834 3.293 20 0 FGADHM CCO[C@H](C)c1noc(CSc2cccc(Cl)c2-c2nn[n-]n2)n1 ZINC000825576354 608206854 /nfs/dbraw/zinc/20/68/54/608206854.db2.gz DYNOIRWNRIOSIK-MRVPVSSYSA-N -1 3 366.834 3.293 20 0 FGADHM Clc1cccc(SCc2nc(-c3ccoc3)no2)c1-c1nnn[n-]1 ZINC000826353541 608207484 /nfs/dbraw/zinc/20/74/84/608207484.db2.gz UIVJLNZIZLKHTL-UHFFFAOYSA-N -1 3 360.786 3.455 20 0 FGADHM Clc1cccc(SCc2nc(-c3ccoc3)no2)c1-c1nn[n-]n1 ZINC000826353541 608207485 /nfs/dbraw/zinc/20/74/85/608207485.db2.gz UIVJLNZIZLKHTL-UHFFFAOYSA-N -1 3 360.786 3.455 20 0 FGADHM CCc1nc(CCNc2ccc3cc(-c4nnn[n-]4)ccc3n2)cs1 ZINC000825745816 608224617 /nfs/dbraw/zinc/22/46/17/608224617.db2.gz PRHCVMJXXDVAMT-UHFFFAOYSA-N -1 3 351.439 3.088 20 0 FGADHM CCc1nc(CCNc2ccc3cc(-c4nn[n-]n4)ccc3n2)cs1 ZINC000825745816 608224618 /nfs/dbraw/zinc/22/46/18/608224618.db2.gz PRHCVMJXXDVAMT-UHFFFAOYSA-N -1 3 351.439 3.088 20 0 FGADHM Fc1cc(-c2nnn[n-]2)ccc1OCc1ccc(Oc2ccccc2)nn1 ZINC000826372345 608231546 /nfs/dbraw/zinc/23/15/46/608231546.db2.gz SGOGGHWGJWEAHO-UHFFFAOYSA-N -1 3 364.340 3.167 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1OCc1ccc(Oc2ccccc2)nn1 ZINC000826372345 608231548 /nfs/dbraw/zinc/23/15/48/608231548.db2.gz SGOGGHWGJWEAHO-UHFFFAOYSA-N -1 3 364.340 3.167 20 0 FGADHM CC(C)(C)[C@H]1C[C@@H](Nc2ccc3cc(-c4nnn[n-]4)ccc3n2)CCO1 ZINC000824079630 608233951 /nfs/dbraw/zinc/23/39/51/608233951.db2.gz QMXJYXZEBLQCLW-GOEBONIOSA-N -1 3 352.442 3.421 20 0 FGADHM CC(C)(C)[C@H]1C[C@@H](Nc2ccc3cc(-c4nn[n-]n4)ccc3n2)CCO1 ZINC000824079630 608233953 /nfs/dbraw/zinc/23/39/53/608233953.db2.gz QMXJYXZEBLQCLW-GOEBONIOSA-N -1 3 352.442 3.421 20 0 FGADHM c1ccc2c(c1)C[C@@H]1[C@@H](CNc3ccc4cc(-c5nnn[n-]5)ccc4n3)[C@H]21 ZINC000826523633 608234105 /nfs/dbraw/zinc/23/41/05/608234105.db2.gz SBHPRGDDJBWCRJ-MBOZVWFJSA-N -1 3 354.417 3.413 20 0 FGADHM c1ccc2c(c1)C[C@@H]1[C@@H](CNc3ccc4cc(-c5nn[n-]n5)ccc4n3)[C@H]21 ZINC000826523633 608234107 /nfs/dbraw/zinc/23/41/07/608234107.db2.gz SBHPRGDDJBWCRJ-MBOZVWFJSA-N -1 3 354.417 3.413 20 0 FGADHM CCc1nc2ccccc2n1C1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000825750247 608240958 /nfs/dbraw/zinc/24/09/58/608240958.db2.gz NYNDCVQRBLCNSQ-UHFFFAOYSA-N -1 3 374.452 3.015 20 0 FGADHM CCc1nc2ccccc2n1C1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000825750247 608240960 /nfs/dbraw/zinc/24/09/60/608240960.db2.gz NYNDCVQRBLCNSQ-UHFFFAOYSA-N -1 3 374.452 3.015 20 0 FGADHM CCc1nc2ccccc2n1C1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000825749406 608241225 /nfs/dbraw/zinc/24/12/25/608241225.db2.gz DLSKPUZFJWCLEH-UHFFFAOYSA-N -1 3 374.452 3.015 20 0 FGADHM CCc1nc2ccccc2n1C1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000825749406 608241227 /nfs/dbraw/zinc/24/12/27/608241227.db2.gz DLSKPUZFJWCLEH-UHFFFAOYSA-N -1 3 374.452 3.015 20 0 FGADHM Cc1cccc([C@H](NCc2cccc(-c3nn[n-]n3)c2)c2ccccn2)c1 ZINC000826297034 608241818 /nfs/dbraw/zinc/24/18/18/608241818.db2.gz SRSPLWNIPQVZON-FQEVSTJZSA-N -1 3 356.433 3.449 20 0 FGADHM CC(C)[C@@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)cc2Br)CCO1 ZINC000824215234 608242293 /nfs/dbraw/zinc/24/22/93/608242293.db2.gz JQYWFBSVQZFSFN-FZMZJTMJSA-N -1 3 366.263 3.245 20 0 FGADHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(N[C@H]3CCO[C@H](C(C)C)C3)c2c1 ZINC000826263951 608243507 /nfs/dbraw/zinc/24/35/07/608243507.db2.gz XDJODAGEBNYADN-YOEHRIQHSA-N -1 3 366.469 3.069 20 0 FGADHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(N[C@H]3CCO[C@H](C(C)C)C3)c2c1 ZINC000826263951 608243510 /nfs/dbraw/zinc/24/35/10/608243510.db2.gz XDJODAGEBNYADN-YOEHRIQHSA-N -1 3 366.469 3.069 20 0 FGADHM O=C(OCc1cc(-c2nnn[n-]2)ccc1F)c1ccc(Cl)c(F)c1 ZINC000826464425 608249199 /nfs/dbraw/zinc/24/91/99/608249199.db2.gz VZJQEZLUUGSZMR-UHFFFAOYSA-N -1 3 350.712 3.155 20 0 FGADHM O=C(OCc1cc(-c2nn[n-]n2)ccc1F)c1ccc(Cl)c(F)c1 ZINC000826464425 608249201 /nfs/dbraw/zinc/24/92/01/608249201.db2.gz VZJQEZLUUGSZMR-UHFFFAOYSA-N -1 3 350.712 3.155 20 0 FGADHM O=C(OCc1cc(-c2nnn[n-]2)ccc1F)[C@@H](c1ccccc1)C1CC1 ZINC000826464489 608249224 /nfs/dbraw/zinc/24/92/24/608249224.db2.gz YPBQPHNAZPPQFE-KRWDZBQOSA-N -1 3 352.369 3.243 20 0 FGADHM O=C(OCc1cc(-c2nn[n-]n2)ccc1F)[C@@H](c1ccccc1)C1CC1 ZINC000826464489 608249226 /nfs/dbraw/zinc/24/92/26/608249226.db2.gz YPBQPHNAZPPQFE-KRWDZBQOSA-N -1 3 352.369 3.243 20 0 FGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N[C@@H]1CCCc2cc(F)ccc21 ZINC000826456484 608267327 /nfs/dbraw/zinc/26/73/27/608267327.db2.gz GWRYMQIOOHGUTB-MRXNPFEDSA-N -1 3 352.373 3.205 20 0 FGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N[C@@H]1CCCc2cc(F)ccc21 ZINC000826456484 608267329 /nfs/dbraw/zinc/26/73/29/608267329.db2.gz GWRYMQIOOHGUTB-MRXNPFEDSA-N -1 3 352.373 3.205 20 0 FGADHM CC[C@@H]1CC[C@H](C)N1C(=O)NCCSCc1ccccc1-c1nnn[n-]1 ZINC000825193559 608269595 /nfs/dbraw/zinc/26/95/95/608269595.db2.gz MJBIAMCWIHGCGD-DZGCQCFKSA-N -1 3 374.514 3.072 20 0 FGADHM CC[C@@H]1CC[C@H](C)N1C(=O)NCCSCc1ccccc1-c1nn[n-]n1 ZINC000825193559 608269597 /nfs/dbraw/zinc/26/95/97/608269597.db2.gz MJBIAMCWIHGCGD-DZGCQCFKSA-N -1 3 374.514 3.072 20 0 FGADHM Cc1cc(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)nn1-c1ccccc1 ZINC000826269178 608271200 /nfs/dbraw/zinc/27/12/00/608271200.db2.gz COJKCPFQWISDRM-QXMHVHEDSA-N -1 3 371.404 3.013 20 0 FGADHM Cc1cc(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)nn1-c1ccccc1 ZINC000826269178 608271201 /nfs/dbraw/zinc/27/12/01/608271201.db2.gz COJKCPFQWISDRM-QXMHVHEDSA-N -1 3 371.404 3.013 20 0 FGADHM C[C@@H](OC(=O)c1cn(C)nc1-c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824724151 608273786 /nfs/dbraw/zinc/27/37/86/608273786.db2.gz YQXJUUIXOGKPDZ-CYBMUJFWSA-N -1 3 374.404 3.185 20 0 FGADHM C[C@@H](OC(=O)c1cn(C)nc1-c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824724151 608273787 /nfs/dbraw/zinc/27/37/87/608273787.db2.gz YQXJUUIXOGKPDZ-CYBMUJFWSA-N -1 3 374.404 3.185 20 0 FGADHM C[C@H](OC(=O)c1cn(C)nc1-c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824724153 608273843 /nfs/dbraw/zinc/27/38/43/608273843.db2.gz YQXJUUIXOGKPDZ-ZDUSSCGKSA-N -1 3 374.404 3.185 20 0 FGADHM C[C@H](OC(=O)c1cn(C)nc1-c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824724153 608273845 /nfs/dbraw/zinc/27/38/45/608273845.db2.gz YQXJUUIXOGKPDZ-ZDUSSCGKSA-N -1 3 374.404 3.185 20 0 FGADHM CCOc1c(Cl)cc(CNc2nc(C)ccc2-c2nnn[n-]2)cc1OC ZINC000825604240 608276672 /nfs/dbraw/zinc/27/66/72/608276672.db2.gz FUFMNCAWQIWZSF-UHFFFAOYSA-N -1 3 374.832 3.243 20 0 FGADHM CCOc1c(Cl)cc(CNc2nc(C)ccc2-c2nn[n-]n2)cc1OC ZINC000825604240 608276674 /nfs/dbraw/zinc/27/66/74/608276674.db2.gz FUFMNCAWQIWZSF-UHFFFAOYSA-N -1 3 374.832 3.243 20 0 FGADHM C[C@@H](C[C@@H](O)c1ccccc1)Nc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC000824394832 608296197 /nfs/dbraw/zinc/29/61/97/608296197.db2.gz ZAGIYNPAGRSLNZ-SCLBCKFNSA-N -1 3 364.453 3.065 20 0 FGADHM C[C@@H](C[C@@H](O)c1ccccc1)Nc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC000824394832 608296199 /nfs/dbraw/zinc/29/61/99/608296199.db2.gz ZAGIYNPAGRSLNZ-SCLBCKFNSA-N -1 3 364.453 3.065 20 0 FGADHM CCc1nn(C)cc1Nc1cc(C)c(-c2nnn[n-]2)c2nc3ccccc3n21 ZINC000825763106 608297945 /nfs/dbraw/zinc/29/79/45/608297945.db2.gz ODRDUCCQUADHHF-UHFFFAOYSA-N -1 3 373.424 3.016 20 0 FGADHM CCc1nn(C)cc1Nc1cc(C)c(-c2nn[n-]n2)c2nc3ccccc3n21 ZINC000825763106 608297947 /nfs/dbraw/zinc/29/79/47/608297947.db2.gz ODRDUCCQUADHHF-UHFFFAOYSA-N -1 3 373.424 3.016 20 0 FGADHM C[C@H]1CCC[C@H](OCCCCCC(=O)Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC000824925525 608305323 /nfs/dbraw/zinc/30/53/23/608305323.db2.gz DRDZHLFMNXDUQR-HOCLYGCPSA-N -1 3 372.473 3.356 20 0 FGADHM C[C@H]1CCC[C@H](OCCCCCC(=O)Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC000824925525 608305325 /nfs/dbraw/zinc/30/53/25/608305325.db2.gz DRDZHLFMNXDUQR-HOCLYGCPSA-N -1 3 372.473 3.356 20 0 FGADHM Cc1c(NC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cnn1CC(C)C ZINC000826241990 608308288 /nfs/dbraw/zinc/30/82/88/608308288.db2.gz WBNRFWPXEUZYFH-UHFFFAOYSA-N -1 3 374.836 3.325 20 0 FGADHM Cc1c(NC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cnn1CC(C)C ZINC000826241990 608308290 /nfs/dbraw/zinc/30/82/90/608308290.db2.gz WBNRFWPXEUZYFH-UHFFFAOYSA-N -1 3 374.836 3.325 20 0 FGADHM Cc1ccc(F)c(C(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)c1F ZINC000826288910 608309813 /nfs/dbraw/zinc/30/98/13/608309813.db2.gz BNFXFDUIRIZZDC-UHFFFAOYSA-N -1 3 363.755 3.383 20 0 FGADHM Cc1ccc(F)c(C(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)c1F ZINC000826288910 608309816 /nfs/dbraw/zinc/30/98/16/608309816.db2.gz BNFXFDUIRIZZDC-UHFFFAOYSA-N -1 3 363.755 3.383 20 0 FGADHM CS[C@@H](C)CCC(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000826226233 608318936 /nfs/dbraw/zinc/31/89/36/608318936.db2.gz VJQCGDLNMJWWKM-JTQLQIEISA-N -1 3 374.495 3.460 20 0 FGADHM CS[C@@H](C)CCC(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826226233 608318938 /nfs/dbraw/zinc/31/89/38/608318938.db2.gz VJQCGDLNMJWWKM-JTQLQIEISA-N -1 3 374.495 3.460 20 0 FGADHM CS[C@H](C)CCC(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000826226234 608319010 /nfs/dbraw/zinc/31/90/10/608319010.db2.gz VJQCGDLNMJWWKM-SNVBAGLBSA-N -1 3 374.495 3.460 20 0 FGADHM CS[C@H](C)CCC(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826226234 608319011 /nfs/dbraw/zinc/31/90/11/608319011.db2.gz VJQCGDLNMJWWKM-SNVBAGLBSA-N -1 3 374.495 3.460 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(F)c(Cl)c1F ZINC000826465709 608321631 /nfs/dbraw/zinc/32/16/31/608321631.db2.gz YMCGVYLHJVXPRR-UHFFFAOYSA-N -1 3 368.702 3.294 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(F)c(Cl)c1F ZINC000826465709 608321632 /nfs/dbraw/zinc/32/16/32/608321632.db2.gz YMCGVYLHJVXPRR-UHFFFAOYSA-N -1 3 368.702 3.294 20 0 FGADHM CCN(C(=O)COc1ccccc1C)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825371737 608347034 /nfs/dbraw/zinc/34/70/34/608347034.db2.gz JLVKTOWJOPSSEN-UHFFFAOYSA-N -1 3 371.828 3.260 20 0 FGADHM CCN(C(=O)COc1ccccc1C)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825371737 608347035 /nfs/dbraw/zinc/34/70/35/608347035.db2.gz JLVKTOWJOPSSEN-UHFFFAOYSA-N -1 3 371.828 3.260 20 0 FGADHM CC1(NC(=O)NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)CCC1 ZINC000824832602 608355994 /nfs/dbraw/zinc/35/59/94/608355994.db2.gz UBYDPUVYCKIWSH-UHFFFAOYSA-N -1 3 362.437 3.276 20 0 FGADHM CC1(NC(=O)NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)CCC1 ZINC000824832602 608355996 /nfs/dbraw/zinc/35/59/96/608355996.db2.gz UBYDPUVYCKIWSH-UHFFFAOYSA-N -1 3 362.437 3.276 20 0 FGADHM CN(C(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)C1CCC1 ZINC000825820356 608356695 /nfs/dbraw/zinc/35/66/95/608356695.db2.gz BDFVJDUFEANWSN-UHFFFAOYSA-N -1 3 362.437 3.228 20 0 FGADHM CN(C(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)C1CCC1 ZINC000825820356 608356697 /nfs/dbraw/zinc/35/66/97/608356697.db2.gz BDFVJDUFEANWSN-UHFFFAOYSA-N -1 3 362.437 3.228 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)C[C@@H]1CCc2ccccc21 ZINC000826171556 608359961 /nfs/dbraw/zinc/35/99/61/608359961.db2.gz QXNXLPWTFQHWRD-AWEZNQCLSA-N -1 3 364.405 3.039 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)C[C@@H]1CCc2ccccc21 ZINC000826171556 608359962 /nfs/dbraw/zinc/35/99/62/608359962.db2.gz QXNXLPWTFQHWRD-AWEZNQCLSA-N -1 3 364.405 3.039 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)[C@@H](C)c1c(F)cccc1F ZINC000826170784 608372749 /nfs/dbraw/zinc/37/27/49/608372749.db2.gz PFIVBIDJSOBWMF-JTQLQIEISA-N -1 3 374.347 3.000 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)[C@@H](C)c1c(F)cccc1F ZINC000826170784 608372751 /nfs/dbraw/zinc/37/27/51/608372751.db2.gz PFIVBIDJSOBWMF-JTQLQIEISA-N -1 3 374.347 3.000 20 0 FGADHM C[C@H](c1ccccn1)N(C)c1ccc(-c2nn[n-]n2)cc1Br ZINC000824770107 608375449 /nfs/dbraw/zinc/37/54/49/608375449.db2.gz DYMAJLLFLWNCKO-SNVBAGLBSA-N -1 3 359.231 3.222 20 0 FGADHM C[C@@H]1CCN(C(=O)c2c(Cl)cc(-c3nnn[n-]3)cc2Cl)C[C@@H]1C ZINC000824946430 608383981 /nfs/dbraw/zinc/38/39/81/608383981.db2.gz JJQWFPJOOUQGRD-BDAKNGLRSA-N -1 3 354.241 3.292 20 0 FGADHM C[C@@H]1CCN(C(=O)c2c(Cl)cc(-c3nn[n-]n3)cc2Cl)C[C@@H]1C ZINC000824946430 608383983 /nfs/dbraw/zinc/38/39/83/608383983.db2.gz JJQWFPJOOUQGRD-BDAKNGLRSA-N -1 3 354.241 3.292 20 0 FGADHM Fc1c(CN[C@H](c2ccccc2)c2ccccn2)cccc1-c1nnn[n-]1 ZINC000826371077 608403175 /nfs/dbraw/zinc/40/31/75/608403175.db2.gz RFGIUIFJJGZZQP-LJQANCHMSA-N -1 3 360.396 3.280 20 0 FGADHM Fc1c(CN[C@H](c2ccccc2)c2ccccn2)cccc1-c1nn[n-]n1 ZINC000826371077 608403177 /nfs/dbraw/zinc/40/31/77/608403177.db2.gz RFGIUIFJJGZZQP-LJQANCHMSA-N -1 3 360.396 3.280 20 0 FGADHM CC[C@@H](N[C@@H](C(=O)OC)c1cccc(-c2nnn[n-]2)c1)c1ccc(C)cc1 ZINC000825141026 608426256 /nfs/dbraw/zinc/42/62/56/608426256.db2.gz MSXMIJNVTLIGSG-QZTJIDSGSA-N -1 3 365.437 3.130 20 0 FGADHM CC[C@@H](N[C@@H](C(=O)OC)c1cccc(-c2nn[n-]n2)c1)c1ccc(C)cc1 ZINC000825141026 608426257 /nfs/dbraw/zinc/42/62/57/608426257.db2.gz MSXMIJNVTLIGSG-QZTJIDSGSA-N -1 3 365.437 3.130 20 0 FGADHM Cc1cc(C)c(-c2nnn[n-]2)c(NCc2cccc(OC(C)(C)C)n2)n1 ZINC000826263315 608440377 /nfs/dbraw/zinc/44/03/77/608440377.db2.gz VEGSLRAAUJKBDY-UHFFFAOYSA-N -1 3 353.430 3.063 20 0 FGADHM Cc1cc(C)c(-c2nn[n-]n2)c(NCc2cccc(OC(C)(C)C)n2)n1 ZINC000826263315 608440379 /nfs/dbraw/zinc/44/03/79/608440379.db2.gz VEGSLRAAUJKBDY-UHFFFAOYSA-N -1 3 353.430 3.063 20 0 FGADHM O=C(C[C@@H]1CCc2ccccc21)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826404501 608448359 /nfs/dbraw/zinc/44/83/59/608448359.db2.gz CFAKXDACSRLNJK-ZDUSSCGKSA-N -1 3 352.369 3.169 20 0 FGADHM O=C(C[C@@H]1CCc2ccccc21)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826404501 608448361 /nfs/dbraw/zinc/44/83/61/608448361.db2.gz CFAKXDACSRLNJK-ZDUSSCGKSA-N -1 3 352.369 3.169 20 0 FGADHM CC(C)[C@H](C(=O)OCc1cccc(-c2nnn[n-]2)c1F)c1ccccc1 ZINC000824185090 608449624 /nfs/dbraw/zinc/44/96/24/608449624.db2.gz QTXINEBOOIRKTH-INIZCTEOSA-N -1 3 354.385 3.489 20 0 FGADHM CC(C)[C@H](C(=O)OCc1cccc(-c2nn[n-]n2)c1F)c1ccccc1 ZINC000824185090 608449626 /nfs/dbraw/zinc/44/96/26/608449626.db2.gz QTXINEBOOIRKTH-INIZCTEOSA-N -1 3 354.385 3.489 20 0 FGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)C1(Cc2ccccc2)CC1 ZINC000826465982 608452121 /nfs/dbraw/zinc/45/21/21/608452121.db2.gz KUQHDQRJAROLAJ-UHFFFAOYSA-N -1 3 352.369 3.072 20 0 FGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)C1(Cc2ccccc2)CC1 ZINC000826465982 608452122 /nfs/dbraw/zinc/45/21/22/608452122.db2.gz KUQHDQRJAROLAJ-UHFFFAOYSA-N -1 3 352.369 3.072 20 0 FGADHM Cc1cccc(-c2noc(CN[C@@H](C)c3ccc(-c4nnn[n-]4)cc3)n2)c1 ZINC000826295402 608468033 /nfs/dbraw/zinc/46/80/33/608468033.db2.gz FYZRXYLMHBARDK-ZDUSSCGKSA-N -1 3 361.409 3.076 20 0 FGADHM Cc1cccc(-c2noc(CN[C@@H](C)c3ccc(-c4nn[n-]n4)cc3)n2)c1 ZINC000826295402 608468035 /nfs/dbraw/zinc/46/80/35/608468035.db2.gz FYZRXYLMHBARDK-ZDUSSCGKSA-N -1 3 361.409 3.076 20 0 FGADHM C[C@@H](OC(=O)c1cnn(C)c1-c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824724054 608472642 /nfs/dbraw/zinc/47/26/42/608472642.db2.gz XTIMOBJEFCZJJZ-CYBMUJFWSA-N -1 3 374.404 3.185 20 0 FGADHM C[C@@H](OC(=O)c1cnn(C)c1-c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824724054 608472644 /nfs/dbraw/zinc/47/26/44/608472644.db2.gz XTIMOBJEFCZJJZ-CYBMUJFWSA-N -1 3 374.404 3.185 20 0 FGADHM O=C(C=Cc1ccsc1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826402990 608483578 /nfs/dbraw/zinc/48/35/78/608483578.db2.gz HFOSEETXTQDZTO-LZCJLJQNSA-N -1 3 363.446 3.257 20 0 FGADHM O=C(C=Cc1ccsc1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826402990 608483579 /nfs/dbraw/zinc/48/35/79/608483579.db2.gz HFOSEETXTQDZTO-LZCJLJQNSA-N -1 3 363.446 3.257 20 0 FGADHM C[C@@H](NCc1ccn(-c2ccc(F)cc2)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000824627652 608486101 /nfs/dbraw/zinc/48/61/01/608486101.db2.gz ZVERTVQQVNCTFC-CYBMUJFWSA-N -1 3 363.400 3.042 20 0 FGADHM Cc1cc(C)cc(C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000826264702 608486808 /nfs/dbraw/zinc/48/68/08/608486808.db2.gz XGGXRLMLWLLXRR-UHFFFAOYSA-N -1 3 359.433 3.413 20 0 FGADHM Cc1cc(C)cc(C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000826264702 608486811 /nfs/dbraw/zinc/48/68/11/608486811.db2.gz XGGXRLMLWLLXRR-UHFFFAOYSA-N -1 3 359.433 3.413 20 0 FGADHM Cc1ccsc1C(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826315706 608486866 /nfs/dbraw/zinc/48/68/66/608486866.db2.gz QQHVXLKKFUZIAI-UHFFFAOYSA-N -1 3 351.435 3.166 20 0 FGADHM Cc1ccsc1C(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826315706 608486868 /nfs/dbraw/zinc/48/68/68/608486868.db2.gz QQHVXLKKFUZIAI-UHFFFAOYSA-N -1 3 351.435 3.166 20 0 FGADHM CCO[C@@H](C)c1nc(CN[C@H](C)c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000825575934 608488716 /nfs/dbraw/zinc/48/87/16/608488716.db2.gz AJDMOWXNRXQAFU-NEPJUHHUSA-N -1 3 358.471 3.272 20 0 FGADHM c1csc(CN(Cc2ccc(-c3nnn[n-]3)s2)C[C@@H]2CCCO2)c1 ZINC000826526185 608506384 /nfs/dbraw/zinc/50/63/84/608506384.db2.gz OGYLEDRVGUSDID-LBPRGKRZSA-N -1 3 361.496 3.171 20 0 FGADHM CC1(C)CC[C@H](NC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000824801127 608527875 /nfs/dbraw/zinc/52/78/75/608527875.db2.gz BNXBHNBNIVOLNW-JTQLQIEISA-N -1 3 350.879 3.385 20 0 FGADHM CC1(C)CC[C@H](NC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000824801127 608527877 /nfs/dbraw/zinc/52/78/77/608527877.db2.gz BNXBHNBNIVOLNW-JTQLQIEISA-N -1 3 350.879 3.385 20 0 FGADHM CCCOc1ccc(NC(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825338993 608561720 /nfs/dbraw/zinc/56/17/20/608561720.db2.gz LQCODGIAHQVDCZ-ZDUSSCGKSA-N -1 3 367.409 3.062 20 0 FGADHM CCC(CC)n1nc(C)cc1C(=O)N(C)c1cccc(-c2nnn[n-]2)c1 ZINC000825113754 608582267 /nfs/dbraw/zinc/58/22/67/608582267.db2.gz FLYFQZDGJDEAFQ-UHFFFAOYSA-N -1 3 353.430 3.009 20 0 FGADHM CCC(CC)n1nc(C)cc1C(=O)N(C)c1cccc(-c2nn[n-]n2)c1 ZINC000825113754 608582268 /nfs/dbraw/zinc/58/22/68/608582268.db2.gz FLYFQZDGJDEAFQ-UHFFFAOYSA-N -1 3 353.430 3.009 20 0 FGADHM Cc1ccc2[nH]c3c(c2c1)CN(Cc1cc(-c2nnn[n-]2)cs1)CC3 ZINC000826293600 608587408 /nfs/dbraw/zinc/58/74/08/608587408.db2.gz VMKUTCMLJTYWAV-UHFFFAOYSA-N -1 3 350.451 3.276 20 0 FGADHM Cc1ccc2[nH]c3c(c2c1)CN(Cc1cc(-c2nn[n-]n2)cs1)CC3 ZINC000826293600 608587409 /nfs/dbraw/zinc/58/74/09/608587409.db2.gz VMKUTCMLJTYWAV-UHFFFAOYSA-N -1 3 350.451 3.276 20 0 FGADHM COc1ccc([C@H](C)COC(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000826188440 608593149 /nfs/dbraw/zinc/59/31/49/608593149.db2.gz XGUARWHGDYUJGZ-FWLQQBITSA-N -1 3 364.405 3.235 20 0 FGADHM COc1ccc([C@H](C)COC(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000826188440 608593150 /nfs/dbraw/zinc/59/31/50/608593150.db2.gz XGUARWHGDYUJGZ-FWLQQBITSA-N -1 3 364.405 3.235 20 0 FGADHM C[C@@H]1CCCN(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)[C@H]1C ZINC000824938640 608600601 /nfs/dbraw/zinc/60/06/01/608600601.db2.gz WBXYSTWIIQLOJR-ZJUUUORDSA-N -1 3 366.372 3.120 20 0 FGADHM C[C@@H]1CCCN(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)[C@H]1C ZINC000824938640 608600602 /nfs/dbraw/zinc/60/06/02/608600602.db2.gz WBXYSTWIIQLOJR-ZJUUUORDSA-N -1 3 366.372 3.120 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cnn(CC(C)C)c1C1CC1 ZINC000826278878 608615967 /nfs/dbraw/zinc/61/59/67/608615967.db2.gz WXOKXANAMFZAHM-UHFFFAOYSA-N -1 3 365.441 3.157 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cnn(CC(C)C)c1C1CC1 ZINC000826278878 608615969 /nfs/dbraw/zinc/61/59/69/608615969.db2.gz WXOKXANAMFZAHM-UHFFFAOYSA-N -1 3 365.441 3.157 20 0 FGADHM CN(Cc1cc(-c2nnn[n-]2)cs1)Cc1nc(C(F)(F)F)cs1 ZINC000825953330 608740196 /nfs/dbraw/zinc/74/01/96/608740196.db2.gz FMLJMBAZJYTNAR-UHFFFAOYSA-N -1 3 360.390 3.036 20 0 FGADHM CN(Cc1cc(-c2nn[n-]n2)cs1)Cc1nc(C(F)(F)F)cs1 ZINC000825953330 608740200 /nfs/dbraw/zinc/74/02/00/608740200.db2.gz FMLJMBAZJYTNAR-UHFFFAOYSA-N -1 3 360.390 3.036 20 0 FGADHM CCc1ccc(N[C@H](C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000825718271 608753839 /nfs/dbraw/zinc/75/38/39/608753839.db2.gz YKYBUPMKYMJTIK-CYBMUJFWSA-N -1 3 350.426 3.177 20 0 FGADHM CCc1ccc(N[C@H](C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000825718271 608753841 /nfs/dbraw/zinc/75/38/41/608753841.db2.gz YKYBUPMKYMJTIK-CYBMUJFWSA-N -1 3 350.426 3.177 20 0 FGADHM C[C@@H]1Cc2cc(F)ccc2[C@@H](C)N1C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825014125 608826563 /nfs/dbraw/zinc/82/65/63/608826563.db2.gz TWNSTISQTXJXFR-VXGBXAGGSA-N -1 3 351.385 3.154 20 0 FGADHM C[C@@H]1Cc2cc(F)ccc2[C@@H](C)N1C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825014125 608826564 /nfs/dbraw/zinc/82/65/64/608826564.db2.gz TWNSTISQTXJXFR-VXGBXAGGSA-N -1 3 351.385 3.154 20 0 FGADHM CC(C)c1ncc(CN2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)s1 ZINC000824364804 608849813 /nfs/dbraw/zinc/84/98/13/608849813.db2.gz USZRSHNUAVYGEP-MRXNPFEDSA-N -1 3 370.482 3.020 20 0 FGADHM CC(C)c1ncc(CN2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)s1 ZINC000824364804 608849815 /nfs/dbraw/zinc/84/98/15/608849815.db2.gz USZRSHNUAVYGEP-MRXNPFEDSA-N -1 3 370.482 3.020 20 0 FGADHM CC(=O)c1ccc(C(=O)Nc2sc(C)c(C)c2-c2nnn[n-]2)c(F)c1 ZINC000824019943 609143605 /nfs/dbraw/zinc/14/36/05/609143605.db2.gz VVDIITBJZAUHAV-UHFFFAOYSA-N -1 3 359.386 3.139 20 0 FGADHM CC(=O)c1ccc(C(=O)Nc2sc(C)c(C)c2-c2nn[n-]n2)c(F)c1 ZINC000824019943 609143607 /nfs/dbraw/zinc/14/36/07/609143607.db2.gz VVDIITBJZAUHAV-UHFFFAOYSA-N -1 3 359.386 3.139 20 0 FGADHM COc1ccc(N[C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)c(OC)c1 ZINC000826210537 609158559 /nfs/dbraw/zinc/15/85/59/609158559.db2.gz VQWKOPGUACKSKP-MRXNPFEDSA-N -1 3 351.410 3.373 20 0 FGADHM COc1ccc(N[C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)c(OC)c1 ZINC000826210537 609158561 /nfs/dbraw/zinc/15/85/61/609158561.db2.gz VQWKOPGUACKSKP-MRXNPFEDSA-N -1 3 351.410 3.373 20 0 FGADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)C2CCCC2)c1-c1nnn[n-]1 ZINC000826233600 609168139 /nfs/dbraw/zinc/16/81/39/609168139.db2.gz NTUIYRXAMXCHNR-UHFFFAOYSA-N -1 3 350.426 3.403 20 0 FGADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)C2CCCC2)c1-c1nn[n-]n1 ZINC000826233600 609168140 /nfs/dbraw/zinc/16/81/40/609168140.db2.gz NTUIYRXAMXCHNR-UHFFFAOYSA-N -1 3 350.426 3.403 20 0 FGADHM CC(C)C[C@@H]1C[C@@H](Nc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)CCO1 ZINC000824245315 609170810 /nfs/dbraw/zinc/17/08/10/609170810.db2.gz XQWFYHPTQSGKKI-WDEREUQCSA-N -1 3 370.379 3.286 20 0 FGADHM CC(C)C[C@@H]1C[C@@H](Nc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)CCO1 ZINC000824245315 609170811 /nfs/dbraw/zinc/17/08/11/609170811.db2.gz XQWFYHPTQSGKKI-WDEREUQCSA-N -1 3 370.379 3.286 20 0 FGADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2cc(C)n([C@H](C)C3CC3)n2)s1 ZINC000825694159 609175350 /nfs/dbraw/zinc/17/53/50/609175350.db2.gz MCMFRZGSHWNVBZ-SNVBAGLBSA-N -1 3 371.470 3.219 20 0 FGADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2cc(C)n([C@H](C)C3CC3)n2)s1 ZINC000825694159 609175351 /nfs/dbraw/zinc/17/53/51/609175351.db2.gz MCMFRZGSHWNVBZ-SNVBAGLBSA-N -1 3 371.470 3.219 20 0 FGADHM CCNc1ccc(-c2nn[n-]n2)cc1NCCOc1ccccc1Cl ZINC000825480652 609177924 /nfs/dbraw/zinc/17/79/24/609177924.db2.gz FFCNXFZCVMBRAY-UHFFFAOYSA-N -1 3 358.833 3.443 20 0 FGADHM O=C(Nc1ccccc1-c1ccccc1)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826456883 609188374 /nfs/dbraw/zinc/18/83/74/609188374.db2.gz CHEPLOWYYICYAS-LJQANCHMSA-N -1 3 371.400 3.206 20 0 FGADHM O=C(Nc1ccccc1-c1ccccc1)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826456883 609188375 /nfs/dbraw/zinc/18/83/75/609188375.db2.gz CHEPLOWYYICYAS-LJQANCHMSA-N -1 3 371.400 3.206 20 0 FGADHM CCc1nn(C)c(Cl)c1CNc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000825759256 609199393 /nfs/dbraw/zinc/19/93/93/609199393.db2.gz ALKLYLLGHJDUIT-UHFFFAOYSA-N -1 3 352.229 3.082 20 0 FGADHM CCc1nn(C)c(Cl)c1CNc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000825759256 609199394 /nfs/dbraw/zinc/19/93/94/609199394.db2.gz ALKLYLLGHJDUIT-UHFFFAOYSA-N -1 3 352.229 3.082 20 0 FGADHM Cc1cccc([C@@H]2CCCCCN2C(=O)c2c[nH]c(-c3nnn[n-]3)c2)c1 ZINC000826297360 609215008 /nfs/dbraw/zinc/21/50/08/609215008.db2.gz DXRPWXNYTQYXKO-KRWDZBQOSA-N -1 3 350.426 3.261 20 0 FGADHM Cc1cccc([C@@H]2CCCCCN2C(=O)c2c[nH]c(-c3nn[n-]n3)c2)c1 ZINC000826297360 609215009 /nfs/dbraw/zinc/21/50/09/609215009.db2.gz DXRPWXNYTQYXKO-KRWDZBQOSA-N -1 3 350.426 3.261 20 0 FGADHM CCCCC[C@@H](NC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)C(C)(C)C ZINC000825266835 609231666 /nfs/dbraw/zinc/23/16/66/609231666.db2.gz HTBCEOFDOHDDAC-HZPDHXFCSA-N -1 3 359.474 3.011 20 0 FGADHM CCCCC[C@@H](NC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)C(C)(C)C ZINC000825266835 609231668 /nfs/dbraw/zinc/23/16/68/609231668.db2.gz HTBCEOFDOHDDAC-HZPDHXFCSA-N -1 3 359.474 3.011 20 0 FGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N[C@H]1CCCOc2cc(F)ccc21 ZINC000826456680 609233131 /nfs/dbraw/zinc/23/31/31/609233131.db2.gz RJGCAJSEICJXKS-HNNXBMFYSA-N -1 3 368.372 3.041 20 0 FGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N[C@H]1CCCOc2cc(F)ccc21 ZINC000826456680 609233133 /nfs/dbraw/zinc/23/31/33/609233133.db2.gz RJGCAJSEICJXKS-HNNXBMFYSA-N -1 3 368.372 3.041 20 0 FGADHM CSc1ccccc1CC(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826230622 609234009 /nfs/dbraw/zinc/23/40/09/609234009.db2.gz BRHHBFLREIGUKN-LBPRGKRZSA-N -1 3 354.435 3.436 20 0 FGADHM CSc1ccccc1CC(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826230622 609234010 /nfs/dbraw/zinc/23/40/10/609234010.db2.gz BRHHBFLREIGUKN-LBPRGKRZSA-N -1 3 354.435 3.436 20 0 FGADHM Cc1cc(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)nn1-c1ccc(C)cc1 ZINC000826281041 609237676 /nfs/dbraw/zinc/23/76/76/609237676.db2.gz AOBJYVQGQNZSMT-UHFFFAOYSA-N -1 3 373.420 3.230 20 0 FGADHM Cc1cc(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)nn1-c1ccc(C)cc1 ZINC000826281041 609237678 /nfs/dbraw/zinc/23/76/78/609237678.db2.gz AOBJYVQGQNZSMT-UHFFFAOYSA-N -1 3 373.420 3.230 20 0 FGADHM CC(C)[C@H](N[C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21)C(=O)OC(C)(C)C ZINC000824337566 609248123 /nfs/dbraw/zinc/24/81/23/609248123.db2.gz AXAJINLGWQXXFX-SJORKVTESA-N -1 3 371.485 3.200 20 0 FGADHM CC(C)[C@H](N[C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21)C(=O)OC(C)(C)C ZINC000824337566 609248125 /nfs/dbraw/zinc/24/81/25/609248125.db2.gz AXAJINLGWQXXFX-SJORKVTESA-N -1 3 371.485 3.200 20 0 FGADHM Clc1ccc(Cc2nnc(NCc3cc(-c4nnn[n-]4)cs3)o2)cc1 ZINC000826352274 609266485 /nfs/dbraw/zinc/26/64/85/609266485.db2.gz VMAUXIOQIYJOJS-UHFFFAOYSA-N -1 3 373.829 3.168 20 0 FGADHM Clc1ccc(Cc2nnc(NCc3cc(-c4nn[n-]n4)cs3)o2)cc1 ZINC000826352274 609266486 /nfs/dbraw/zinc/26/64/86/609266486.db2.gz VMAUXIOQIYJOJS-UHFFFAOYSA-N -1 3 373.829 3.168 20 0 FGADHM Fc1cccc(-n2ccc(NCc3ccccc3Cl)n2)c1-c1nnn[n-]1 ZINC000826376730 609279664 /nfs/dbraw/zinc/27/96/64/609279664.db2.gz PJGPTQGSCGKETC-UHFFFAOYSA-N -1 3 369.791 3.457 20 0 FGADHM Cc1c(N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cccc1N1CCOC1=O ZINC000826242363 609279989 /nfs/dbraw/zinc/27/99/89/609279989.db2.gz LUMXJQCANJVDNB-CYBMUJFWSA-N -1 3 364.409 3.305 20 0 FGADHM Cc1c(N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cccc1N1CCOC1=O ZINC000826242363 609279992 /nfs/dbraw/zinc/27/99/92/609279992.db2.gz LUMXJQCANJVDNB-CYBMUJFWSA-N -1 3 364.409 3.305 20 0 FGADHM Cc1cc(COC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)ccc1Cl ZINC000826267813 609284635 /nfs/dbraw/zinc/28/46/35/609284635.db2.gz XNEOXTIJNGRBCR-UHFFFAOYSA-N -1 3 364.739 3.464 20 0 FGADHM Cc1cc(COC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)ccc1Cl ZINC000826267813 609284637 /nfs/dbraw/zinc/28/46/37/609284637.db2.gz XNEOXTIJNGRBCR-UHFFFAOYSA-N -1 3 364.739 3.464 20 0 FGADHM O=C(C=C1CCCCC1)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000826399644 609289429 /nfs/dbraw/zinc/28/94/29/609289429.db2.gz BGFIQTRDALSZPK-UHFFFAOYSA-N -1 3 367.388 3.021 20 0 FGADHM O=C(N[C@@H]1CCCOc2ccccc21)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826430868 609290178 /nfs/dbraw/zinc/29/01/78/609290178.db2.gz LWEHRXGDUINCFC-OAHLLOKOSA-N -1 3 369.812 3.164 20 0 FGADHM O=C(N[C@@H]1CCCOc2ccccc21)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826430868 609290180 /nfs/dbraw/zinc/29/01/80/609290180.db2.gz LWEHRXGDUINCFC-OAHLLOKOSA-N -1 3 369.812 3.164 20 0 FGADHM O=C(Nc1ccc(-c2cc[nH]n2)cc1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826451597 609290960 /nfs/dbraw/zinc/29/09/60/609290960.db2.gz NQMZMSFZAHWUDP-UHFFFAOYSA-N -1 3 365.784 3.163 20 0 FGADHM O=C(Nc1ccc(-c2cc[nH]n2)cc1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826451597 609290961 /nfs/dbraw/zinc/29/09/61/609290961.db2.gz NQMZMSFZAHWUDP-UHFFFAOYSA-N -1 3 365.784 3.163 20 0 FGADHM CC(C)CN(C(=O)[C@H](F)Cc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824249411 609312055 /nfs/dbraw/zinc/31/20/55/609312055.db2.gz NAFURYQAOODPSF-GOSISDBHSA-N -1 3 367.428 3.437 20 0 FGADHM CC(C)CN(C(=O)[C@H](F)Cc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824249411 609312057 /nfs/dbraw/zinc/31/20/57/609312057.db2.gz NAFURYQAOODPSF-GOSISDBHSA-N -1 3 367.428 3.437 20 0 FGADHM CCN(C(=O)[C@H](F)Cc1ccccc1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367736 609312542 /nfs/dbraw/zinc/31/25/42/609312542.db2.gz VJCLNPOOSMZILI-KBXCAEBGSA-N -1 3 367.428 3.357 20 0 FGADHM CCN(C(=O)[C@H](F)Cc1ccccc1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367736 609312543 /nfs/dbraw/zinc/31/25/43/609312543.db2.gz VJCLNPOOSMZILI-KBXCAEBGSA-N -1 3 367.428 3.357 20 0 FGADHM C[C@H]1OCC[C@@H]1SCc1ccc(-c2nnn[n-]2)cc1Br ZINC000825021690 609312811 /nfs/dbraw/zinc/31/28/11/609312811.db2.gz SWLAFXHVFMBJNP-PELKAZGASA-N -1 3 355.261 3.040 20 0 FGADHM C[C@H]1OCC[C@@H]1SCc1ccc(-c2nn[n-]n2)cc1Br ZINC000825021690 609312813 /nfs/dbraw/zinc/31/28/13/609312813.db2.gz SWLAFXHVFMBJNP-PELKAZGASA-N -1 3 355.261 3.040 20 0 FGADHM CCc1cc(N[C@H](C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)ccc1C ZINC000825700565 609314334 /nfs/dbraw/zinc/31/43/34/609314334.db2.gz KLMQVWQKAMJXJC-CYBMUJFWSA-N -1 3 350.426 3.177 20 0 FGADHM CCc1cc(N[C@H](C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)ccc1C ZINC000825700565 609314335 /nfs/dbraw/zinc/31/43/35/609314335.db2.gz KLMQVWQKAMJXJC-CYBMUJFWSA-N -1 3 350.426 3.177 20 0 FGADHM FC(F)O[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2C(F)(F)F)C1 ZINC000826369408 609317193 /nfs/dbraw/zinc/31/71/93/609317193.db2.gz AZSANCVLZOSTJA-VIFPVBQESA-N -1 3 363.290 3.094 20 0 FGADHM C[C@@H](CSCC(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000824448689 609330206 /nfs/dbraw/zinc/33/02/06/609330206.db2.gz KBYVSXSUDNZCFA-ZDUSSCGKSA-N -1 3 353.451 3.342 20 0 FGADHM C[C@@H](CSCC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000824448689 609330208 /nfs/dbraw/zinc/33/02/08/609330208.db2.gz KBYVSXSUDNZCFA-ZDUSSCGKSA-N -1 3 353.451 3.342 20 0 FGADHM CCc1ccc([C@H](COC)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2F)o1 ZINC000825704400 609337594 /nfs/dbraw/zinc/33/75/94/609337594.db2.gz GUFPVPHPKMPSTD-BZNIZROVSA-N -1 3 359.405 3.200 20 0 FGADHM CCc1ccc([C@H](COC)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2F)o1 ZINC000825704400 609337596 /nfs/dbraw/zinc/33/75/96/609337596.db2.gz GUFPVPHPKMPSTD-BZNIZROVSA-N -1 3 359.405 3.200 20 0 FGADHM COc1ccc2c(c1)OCC[C@H]2N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1F ZINC000826212931 609337652 /nfs/dbraw/zinc/33/76/52/609337652.db2.gz FZAXLPJIBOAVLK-APPDUMDISA-N -1 3 369.400 3.189 20 0 FGADHM Fc1cccc2c1OCCC[C@H]2NCc1ccc(-c2nn[n-]n2)cc1F ZINC000826371737 609346779 /nfs/dbraw/zinc/34/67/79/609346779.db2.gz RVXJTNUHWQDPHT-MRXNPFEDSA-N -1 3 357.364 3.148 20 0 FGADHM COCC[C@H](N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1F)c1ccc(C)o1 ZINC000826154307 609349547 /nfs/dbraw/zinc/34/95/47/609349547.db2.gz MKGXVSYNMJGKFX-LRDDRELGSA-N -1 3 359.405 3.336 20 0 FGADHM COCC[C@H](N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1F)c1ccc(C)o1 ZINC000826154307 609349548 /nfs/dbraw/zinc/34/95/48/609349548.db2.gz MKGXVSYNMJGKFX-LRDDRELGSA-N -1 3 359.405 3.336 20 0 FGADHM CC[C@H]1C[C@@H](CC(=O)N(CC(C)C)c2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000825182390 609375815 /nfs/dbraw/zinc/37/58/15/609375815.db2.gz IQPVTNXGMKNAAO-YJBOKZPZSA-N -1 3 371.485 3.451 20 0 FGADHM CC[C@H]1C[C@@H](CC(=O)N(CC(C)C)c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000825182390 609375818 /nfs/dbraw/zinc/37/58/18/609375818.db2.gz IQPVTNXGMKNAAO-YJBOKZPZSA-N -1 3 371.485 3.451 20 0 FGADHM O=C(Nc1ccc[nH]c1=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826457871 609379224 /nfs/dbraw/zinc/37/92/24/609379224.db2.gz UAKDSXHIDXXULL-UHFFFAOYSA-N -1 3 374.360 3.012 20 0 FGADHM O=C(Nc1ccc[nH]c1=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826457871 609379227 /nfs/dbraw/zinc/37/92/27/609379227.db2.gz UAKDSXHIDXXULL-UHFFFAOYSA-N -1 3 374.360 3.012 20 0 FGADHM CC[C@H]1C[C@H](CC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(C)C)CCO1 ZINC000825182949 609380128 /nfs/dbraw/zinc/38/01/28/609380128.db2.gz MRDLZDZHGFJPKB-HIFRSBDPSA-N -1 3 373.457 3.188 20 0 FGADHM CC[C@H]1C[C@H](CC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(C)C)CCO1 ZINC000825182949 609380131 /nfs/dbraw/zinc/38/01/31/609380131.db2.gz MRDLZDZHGFJPKB-HIFRSBDPSA-N -1 3 373.457 3.188 20 0 FGADHM O=C(c1ccccc1Oc1ccccc1-c1nnn[n-]1)N1CCC=C(F)C1 ZINC000826474472 609398179 /nfs/dbraw/zinc/39/81/79/609398179.db2.gz RKJMMNYTYMBYMA-UHFFFAOYSA-N -1 3 365.368 3.358 20 0 FGADHM O=C(c1ccccc1Oc1ccccc1-c1nn[n-]n1)N1CCC=C(F)C1 ZINC000826474472 609398182 /nfs/dbraw/zinc/39/81/82/609398182.db2.gz RKJMMNYTYMBYMA-UHFFFAOYSA-N -1 3 365.368 3.358 20 0 FGADHM O=C(c1ccc(-c2nnn[n-]2)cc1)N1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000826472148 609405473 /nfs/dbraw/zinc/40/54/73/609405473.db2.gz ZEBLOPMHHDPGQA-CQSZACIVSA-N -1 3 365.412 3.416 20 0 FGADHM O=C(c1ccc(-c2nn[n-]n2)cc1)N1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000826472148 609405475 /nfs/dbraw/zinc/40/54/75/609405475.db2.gz ZEBLOPMHHDPGQA-CQSZACIVSA-N -1 3 365.412 3.416 20 0 FGADHM CCOc1cc(Cl)ccc1C(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000825615694 609427799 /nfs/dbraw/zinc/42/77/99/609427799.db2.gz HCWGDCSFNUCIIV-UHFFFAOYSA-N -1 3 371.828 3.191 20 0 FGADHM CCOc1cc(Cl)ccc1C(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000825615694 609427801 /nfs/dbraw/zinc/42/78/01/609427801.db2.gz HCWGDCSFNUCIIV-UHFFFAOYSA-N -1 3 371.828 3.191 20 0 FGADHM C[C@H](NC(=S)NC1CC1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824521935 609443451 /nfs/dbraw/zinc/44/34/51/609443451.db2.gz OUZYGSAERDYMQF-LBPRGKRZSA-N -1 3 364.478 3.221 20 0 FGADHM C[C@H](NC(=S)NC1CC1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824521935 609443453 /nfs/dbraw/zinc/44/34/53/609443453.db2.gz OUZYGSAERDYMQF-LBPRGKRZSA-N -1 3 364.478 3.221 20 0 FGADHM CCCNC(=S)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825332515 609443573 /nfs/dbraw/zinc/44/35/73/609443573.db2.gz HKBFSSXWWUOELL-CYBMUJFWSA-N -1 3 366.494 3.469 20 0 FGADHM CCCNC(=S)N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825332515 609443575 /nfs/dbraw/zinc/44/35/75/609443575.db2.gz HKBFSSXWWUOELL-CYBMUJFWSA-N -1 3 366.494 3.469 20 0 FGADHM CCc1c(C)sc(NC(=O)C(C)(C)c2cccnc2)c1-c1nnn[n-]1 ZINC000825687718 609456823 /nfs/dbraw/zinc/45/68/23/609456823.db2.gz MEPQZGYAUYZHAD-UHFFFAOYSA-N -1 3 356.455 3.110 20 0 FGADHM CCc1c(C)sc(NC(=O)C(C)(C)c2cccnc2)c1-c1nn[n-]n1 ZINC000825687718 609456826 /nfs/dbraw/zinc/45/68/26/609456826.db2.gz MEPQZGYAUYZHAD-UHFFFAOYSA-N -1 3 356.455 3.110 20 0 FGADHM CN(Cc1csc2ccccc12)c1nc2ccccn2c1-c1nnn[n-]1 ZINC000825992342 609462108 /nfs/dbraw/zinc/46/21/08/609462108.db2.gz WLUOZGGIPSECKF-UHFFFAOYSA-N -1 3 361.434 3.366 20 0 FGADHM CN(Cc1csc2ccccc12)c1nc2ccccn2c1-c1nn[n-]n1 ZINC000825992342 609462110 /nfs/dbraw/zinc/46/21/10/609462110.db2.gz WLUOZGGIPSECKF-UHFFFAOYSA-N -1 3 361.434 3.366 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC[C@H]1CCOc2ccccc21 ZINC000825626093 609476021 /nfs/dbraw/zinc/47/60/21/609476021.db2.gz IKSVWXZOPPSCTE-CQSZACIVSA-N -1 3 351.410 3.244 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC[C@H]1CCOc2ccccc21 ZINC000825626093 609476023 /nfs/dbraw/zinc/47/60/23/609476023.db2.gz IKSVWXZOPPSCTE-CQSZACIVSA-N -1 3 351.410 3.244 20 0 FGADHM COc1cc(OC)c(NCc2cccc(-c3nnn[n-]3)c2F)cc1Cl ZINC000826181057 609476721 /nfs/dbraw/zinc/47/67/21/609476721.db2.gz JGJNCBHMDMFPPW-UHFFFAOYSA-N -1 3 363.780 3.289 20 0 FGADHM COc1cc(OC)c(NCc2cccc(-c3nn[n-]n3)c2F)cc1Cl ZINC000826181057 609476725 /nfs/dbraw/zinc/47/67/25/609476725.db2.gz JGJNCBHMDMFPPW-UHFFFAOYSA-N -1 3 363.780 3.289 20 0 FGADHM CC(C)Oc1ccc(NCc2ccc3c(c2)OCCO3)cc1-c1nnn[n-]1 ZINC000824329967 609492163 /nfs/dbraw/zinc/49/21/63/609492163.db2.gz ZIAGBEJGMJQUMM-UHFFFAOYSA-N -1 3 367.409 3.037 20 0 FGADHM CC(C)Oc1ccc(NCc2ccc3c(c2)OCCO3)cc1-c1nn[n-]n1 ZINC000824329967 609492166 /nfs/dbraw/zinc/49/21/66/609492166.db2.gz ZIAGBEJGMJQUMM-UHFFFAOYSA-N -1 3 367.409 3.037 20 0 FGADHM Fc1cc(F)c(OCc2ccccc2-c2nnn[n-]2)c(Br)c1 ZINC000826372965 609505475 /nfs/dbraw/zinc/50/54/75/609505475.db2.gz UBGFEXSVVXEKIQ-UHFFFAOYSA-N -1 3 367.153 3.486 20 0 FGADHM Fc1cc(F)c(OCc2ccccc2-c2nn[n-]n2)c(Br)c1 ZINC000826372965 609505476 /nfs/dbraw/zinc/50/54/76/609505476.db2.gz UBGFEXSVVXEKIQ-UHFFFAOYSA-N -1 3 367.153 3.486 20 0 FGADHM C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000824910927 609509962 /nfs/dbraw/zinc/50/99/62/609509962.db2.gz ZICANCRAGFPQEY-NXEZZACHSA-N -1 3 370.404 3.226 20 0 FGADHM C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000824910927 609509963 /nfs/dbraw/zinc/50/99/63/609509963.db2.gz ZICANCRAGFPQEY-NXEZZACHSA-N -1 3 370.404 3.226 20 0 FGADHM CSc1c(F)cc(NC(=O)c2sccc2-c2nnn[n-]2)cc1F ZINC000826229354 609517700 /nfs/dbraw/zinc/51/77/00/609517700.db2.gz AUVWJJKRIBDESX-UHFFFAOYSA-N -1 3 353.379 3.181 20 0 FGADHM CSc1c(F)cc(NC(=O)c2sccc2-c2nn[n-]n2)cc1F ZINC000826229354 609517702 /nfs/dbraw/zinc/51/77/02/609517702.db2.gz AUVWJJKRIBDESX-UHFFFAOYSA-N -1 3 353.379 3.181 20 0 FGADHM COc1ccc2cc(CN(C)c3nccc(C)c3-c3nnn[n-]3)ccc2c1 ZINC000826213277 609521765 /nfs/dbraw/zinc/52/17/65/609521765.db2.gz RHARSDCDOBGKSC-UHFFFAOYSA-N -1 3 360.421 3.368 20 0 FGADHM COc1ccc2cc(CN(C)c3nccc(C)c3-c3nn[n-]n3)ccc2c1 ZINC000826213277 609521767 /nfs/dbraw/zinc/52/17/67/609521767.db2.gz RHARSDCDOBGKSC-UHFFFAOYSA-N -1 3 360.421 3.368 20 0 FGADHM CCC[C@@H]1C[C@@H](C(=O)N(CCC)Cc2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000825251859 609523317 /nfs/dbraw/zinc/52/33/17/609523317.db2.gz DYFVXRLWJCUAQK-ZWKOTPCHSA-N -1 3 371.485 3.201 20 0 FGADHM CCC[C@@H]1C[C@@H](C(=O)N(CCC)Cc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000825251859 609523320 /nfs/dbraw/zinc/52/33/20/609523320.db2.gz DYFVXRLWJCUAQK-ZWKOTPCHSA-N -1 3 371.485 3.201 20 0 FGADHM Cc1ccnc(NCc2ccc(OC(F)(F)F)cc2)c1-c1nnn[n-]1 ZINC000826314088 609528249 /nfs/dbraw/zinc/52/82/49/609528249.db2.gz GAEVWYXPJMFCFT-UHFFFAOYSA-N -1 3 350.304 3.081 20 0 FGADHM Cc1ccnc(NCc2ccc(OC(F)(F)F)cc2)c1-c1nn[n-]n1 ZINC000826314088 609528251 /nfs/dbraw/zinc/52/82/51/609528251.db2.gz GAEVWYXPJMFCFT-UHFFFAOYSA-N -1 3 350.304 3.081 20 0 FGADHM Cc1ccc2c(c1C)OC[C@@H]2Nc1ncc(Cl)c(C)c1-c1nnn[n-]1 ZINC000826294086 609547306 /nfs/dbraw/zinc/54/73/06/609547306.db2.gz ILJLYKDITSSFJR-ZDUSSCGKSA-N -1 3 356.817 3.386 20 0 FGADHM Cc1ccc2c(c1C)OC[C@@H]2Nc1ncc(Cl)c(C)c1-c1nn[n-]n1 ZINC000826294086 609547308 /nfs/dbraw/zinc/54/73/08/609547308.db2.gz ILJLYKDITSSFJR-ZDUSSCGKSA-N -1 3 356.817 3.386 20 0 FGADHM Cc1c(Cl)cnc(N2CCC[C@H](Oc3ccccc3)C2)c1-c1nnn[n-]1 ZINC000826238096 609553381 /nfs/dbraw/zinc/55/33/81/609553381.db2.gz WFGYHLQONACVKV-AWEZNQCLSA-N -1 3 370.844 3.271 20 0 FGADHM Cc1c(Cl)cnc(N2CCC[C@H](Oc3ccccc3)C2)c1-c1nn[n-]n1 ZINC000826238096 609553383 /nfs/dbraw/zinc/55/33/83/609553383.db2.gz WFGYHLQONACVKV-AWEZNQCLSA-N -1 3 370.844 3.271 20 0 FGADHM Cc1c(Cl)cnc(N2CCSC3(CCCCC3)C2)c1-c1nnn[n-]1 ZINC000826238989 609572264 /nfs/dbraw/zinc/57/22/64/609572264.db2.gz VPTDUDHUUZODCG-UHFFFAOYSA-N -1 3 364.906 3.480 20 0 FGADHM Cc1c(Cl)cnc(N2CCSC3(CCCCC3)C2)c1-c1nn[n-]n1 ZINC000826238989 609572267 /nfs/dbraw/zinc/57/22/67/609572267.db2.gz VPTDUDHUUZODCG-UHFFFAOYSA-N -1 3 364.906 3.480 20 0 FGADHM Fc1cc(F)c2ncc(-c3nnn[n-]3)c(NCC[C@@H]3CCCCO3)c2c1 ZINC000826372550 609581633 /nfs/dbraw/zinc/58/16/33/609581633.db2.gz BIHRWEWCSOXWEH-NSHDSACASA-N -1 3 360.368 3.064 20 0 FGADHM Fc1cc(F)c2ncc(-c3nn[n-]n3)c(NCC[C@@H]3CCCCO3)c2c1 ZINC000826372550 609581635 /nfs/dbraw/zinc/58/16/35/609581635.db2.gz BIHRWEWCSOXWEH-NSHDSACASA-N -1 3 360.368 3.064 20 0 FGADHM Cc1c(Cl)cnc(N(Cc2ccc(O)cc2)CC2CC2)c1-c1nnn[n-]1 ZINC000826237096 609582646 /nfs/dbraw/zinc/58/26/46/609582646.db2.gz NUUUMRPXGXKCHL-UHFFFAOYSA-N -1 3 370.844 3.346 20 0 FGADHM Cc1c(Cl)cnc(N(Cc2ccc(O)cc2)CC2CC2)c1-c1nn[n-]n1 ZINC000826237096 609582647 /nfs/dbraw/zinc/58/26/47/609582647.db2.gz NUUUMRPXGXKCHL-UHFFFAOYSA-N -1 3 370.844 3.346 20 0 FGADHM Cc1c(Cl)cnc(N[C@H](CO)c2ccc(Cl)cc2)c1-c1nnn[n-]1 ZINC000826238326 609584665 /nfs/dbraw/zinc/58/46/65/609584665.db2.gz CTXMRGUZCBXPGH-GFCCVEGCSA-N -1 3 365.224 3.022 20 0 FGADHM Cc1c(Cl)cnc(N[C@H](CO)c2ccc(Cl)cc2)c1-c1nn[n-]n1 ZINC000826238326 609584667 /nfs/dbraw/zinc/58/46/67/609584667.db2.gz CTXMRGUZCBXPGH-GFCCVEGCSA-N -1 3 365.224 3.022 20 0 FGADHM Cc1cn(C2CCCCC2)nc1NC(=O)c1sccc1-c1nnn[n-]1 ZINC000826317304 609595697 /nfs/dbraw/zinc/59/56/97/609595697.db2.gz XCKCEAUGTYBJSL-UHFFFAOYSA-N -1 3 357.443 3.191 20 0 FGADHM Cc1cn(C2CCCCC2)nc1NC(=O)c1sccc1-c1nn[n-]n1 ZINC000826317304 609595700 /nfs/dbraw/zinc/59/57/00/609595700.db2.gz XCKCEAUGTYBJSL-UHFFFAOYSA-N -1 3 357.443 3.191 20 0 FGADHM O=C(Cc1cccc(F)c1F)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826423493 609614030 /nfs/dbraw/zinc/61/40/30/609614030.db2.gz REGVGLYMXVQZQN-UHFFFAOYSA-N -1 3 364.739 3.084 20 0 FGADHM O=C(Cc1cccc(F)c1F)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826423493 609614031 /nfs/dbraw/zinc/61/40/31/609614031.db2.gz REGVGLYMXVQZQN-UHFFFAOYSA-N -1 3 364.739 3.084 20 0 FGADHM O=C(CC1CCSCC1)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826404531 609619372 /nfs/dbraw/zinc/61/93/72/609619372.db2.gz CYBHYVIUJSQMJF-UHFFFAOYSA-N -1 3 352.847 3.097 20 0 FGADHM O=C(CC1CCSCC1)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826404531 609619373 /nfs/dbraw/zinc/61/93/73/609619373.db2.gz CYBHYVIUJSQMJF-UHFFFAOYSA-N -1 3 352.847 3.097 20 0 FGADHM Cc1cccc(OC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)c1F ZINC000826300245 609621683 /nfs/dbraw/zinc/62/16/83/609621683.db2.gz NJWRXBFFKSRFPK-UHFFFAOYSA-N -1 3 358.398 3.153 20 0 FGADHM Cc1cccc(OC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)c1F ZINC000826300245 609621684 /nfs/dbraw/zinc/62/16/84/609621684.db2.gz NJWRXBFFKSRFPK-UHFFFAOYSA-N -1 3 358.398 3.153 20 0 FGADHM C[C@@H](OC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)c1ccc2ccccc2c1 ZINC000824713693 609636175 /nfs/dbraw/zinc/63/61/75/609636175.db2.gz JXRGUYNKKQXODP-YJYMSZOUSA-N -1 3 374.400 3.358 20 0 FGADHM C[C@@H](OC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)c1ccc2ccccc2c1 ZINC000824713693 609636177 /nfs/dbraw/zinc/63/61/77/609636177.db2.gz JXRGUYNKKQXODP-YJYMSZOUSA-N -1 3 374.400 3.358 20 0 FGADHM C[C@@H](OC(=O)c1cc(Cl)c(Cl)[n-]1)C(=O)N1CCc2ccccc21 ZINC000011809700 695602602 /nfs/dbraw/zinc/60/26/02/695602602.db2.gz VVMFUEFLZCNLOP-SECBINFHSA-N -1 3 353.205 3.456 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(NC(C)=O)c(Cl)c2)cc1 ZINC000014097609 695611784 /nfs/dbraw/zinc/61/17/84/695611784.db2.gz IKPVWFYTGHMJRR-UHFFFAOYSA-N -1 3 354.815 3.108 20 0 FGADHM CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000027705836 695696303 /nfs/dbraw/zinc/69/63/03/695696303.db2.gz GICUUNMABBXZEB-CZUORRHYSA-N -1 3 370.490 3.211 20 0 FGADHM C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)C1 ZINC000029738432 695715762 /nfs/dbraw/zinc/71/57/62/695715762.db2.gz KLIVQHUVKYVBME-CHWSQXEVSA-N -1 3 370.490 3.021 20 0 FGADHM Cc1nc(C2([N-]S(=O)(=O)c3cc(F)ccc3C)CCCCCC2)no1 ZINC000032435058 695744586 /nfs/dbraw/zinc/74/45/86/695744586.db2.gz IYLVTVNPOASEOF-UHFFFAOYSA-N -1 3 367.446 3.354 20 0 FGADHM CCCc1cc(C(=O)OCC(=O)[N-]C(=O)c2cccs2)sc1C ZINC000032846770 695748279 /nfs/dbraw/zinc/74/82/79/695748279.db2.gz ODUMKRRHSONTDQ-UHFFFAOYSA-N -1 3 351.449 3.184 20 0 FGADHM CCC[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)N(C)C)c(Cl)cc1Cl ZINC000036309857 695752741 /nfs/dbraw/zinc/75/27/41/695752741.db2.gz DMJMNQMSIVVBNG-SECBINFHSA-N -1 3 367.298 3.162 20 0 FGADHM C[C@@H](Oc1cccc(Cl)c1)C(=O)N[N-]C(=O)c1ccc(F)cc1Cl ZINC000041943304 695770350 /nfs/dbraw/zinc/77/03/50/695770350.db2.gz RSDOXXIXDPWBDF-SECBINFHSA-N -1 3 371.195 3.361 20 0 FGADHM COc1cc[n-]c(=NNC(=O)c2sc3cc(F)ccc3c2Cl)n1 ZINC000046364276 695838772 /nfs/dbraw/zinc/83/87/72/695838772.db2.gz DUSFGKLOOBIBQT-UHFFFAOYSA-N -1 3 352.778 3.249 20 0 FGADHM COc1cc(/C=C\C(=O)c2cn(C)nc2C)cc(Br)c1[O-] ZINC000047380271 695858198 /nfs/dbraw/zinc/85/81/98/695858198.db2.gz 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722530358 /nfs/dbraw/zinc/53/03/58/722530358.db2.gz SGMUSGULUQRPKI-ZDUSSCGKSA-N -1 3 365.426 3.003 20 0 FGADHM CSc1cccc(NC(=O)[C@H](C)NCC2(NC(=O)[O-])CCCCC2)c1 ZINC000740022334 722534767 /nfs/dbraw/zinc/53/47/67/722534767.db2.gz IQXIOSXBUJABHJ-ZDUSSCGKSA-N -1 3 365.499 3.296 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2c3nsnc3ccc2Cl)cc1C ZINC000742231734 722553574 /nfs/dbraw/zinc/55/35/74/722553574.db2.gz GHRVPYBGQQUUHR-UHFFFAOYSA-N -1 3 369.855 3.463 20 0 FGADHM O=S(=O)([N-][C@H]1C[C@H]1Cc1ccccc1)c1ccc(Cl)nc1Cl ZINC000742309679 722554993 /nfs/dbraw/zinc/55/49/93/722554993.db2.gz SWGFRSDKCMXAIM-NEPJUHHUSA-N -1 3 357.262 3.298 20 0 FGADHM CS[C@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)C1 ZINC000742330061 722555598 /nfs/dbraw/zinc/55/55/98/722555598.db2.gz TWWMRDIUWFHFMM-UWVGGRQHSA-N -1 3 357.394 3.407 20 0 FGADHM O=C(COC(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-])N1CCCC1 ZINC000746079116 722593081 /nfs/dbraw/zinc/59/30/81/722593081.db2.gz NMCHZLZDOIKMDT-UHFFFAOYSA-N -1 3 359.809 3.492 20 0 FGADHM [O-]C(=NOCC(F)F)Nc1cc(C(F)(F)F)cc(Br)n1 ZINC000806802437 725144285 /nfs/dbraw/zinc/14/42/85/725144285.db2.gz MVKCEBVQKMESKD-UHFFFAOYSA-N -1 3 364.068 3.181 20 0 FGADHM O=C([N-]OCC(F)F)Nc1cc(C(F)(F)F)cc(Br)n1 ZINC000806802437 725144286 /nfs/dbraw/zinc/14/42/86/725144286.db2.gz MVKCEBVQKMESKD-UHFFFAOYSA-N -1 3 364.068 3.181 20 0 FGADHM O=C(c1ccccc1[O-])N1CCN(Cc2cc(Cl)nc(Cl)c2)CC1 ZINC000746454843 722603622 /nfs/dbraw/zinc/60/36/22/722603622.db2.gz YEIQFZGNRZTNBG-UHFFFAOYSA-N -1 3 366.248 3.052 20 0 FGADHM [O-]c1ccc(CNC(=S)NCc2ccc(Br)cc2)cc1F ZINC000747649137 722654112 /nfs/dbraw/zinc/65/41/12/722654112.db2.gz BLSGGGZIZXPMTO-UHFFFAOYSA-N -1 3 369.259 3.458 20 0 FGADHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C)CCO3)cc1 ZINC000747857719 722663566 /nfs/dbraw/zinc/66/35/66/722663566.db2.gz SQYJUFJNHQBFLB-UHFFFAOYSA-N -1 3 362.451 3.105 20 0 FGADHM Cc1nc(C)c(CC(=O)Nc2cc(-c3cccc(Cl)c3)[nH]n2)c(=O)[n-]1 ZINC000747877542 722664315 /nfs/dbraw/zinc/66/43/15/722664315.db2.gz ZMZOGCXDHTVQBG-UHFFFAOYSA-N 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COc1ccc(OCc2nc(CN[C@@H](CC(C)C)C(=O)[O-])cs2)cc1 ZINC000756336745 722963005 /nfs/dbraw/zinc/96/30/05/722963005.db2.gz JPTZGUWUGJXXJU-INIZCTEOSA-N -1 3 364.467 3.320 20 0 FGADHM COc1cc(C[N-]C(=O)C(F)(F)c2nccs2)ccc1OC(F)F ZINC000756408343 722964094 /nfs/dbraw/zinc/96/40/94/722964094.db2.gz QWBJZZYLUFTDOM-UHFFFAOYSA-N -1 3 364.320 3.161 20 0 FGADHM CN1CC[C@H]([N-]C(=O)C(F)(F)c2nccs2)[C@H]1c1ccc(F)c(F)c1 ZINC000756531375 722966307 /nfs/dbraw/zinc/96/63/07/722966307.db2.gz SPFLBWSZSYNJAS-QWHCGFSZSA-N -1 3 373.375 3.075 20 0 FGADHM O=C(CCOc1ccc(Cl)cc1Br)[N-]OCC(F)F ZINC000759342722 723003322 /nfs/dbraw/zinc/00/33/22/723003322.db2.gz LNDHJEIWYPYISH-UHFFFAOYSA-N -1 3 358.566 3.184 20 0 FGADHM C[C@@H](OC(=O)c1ccc([N-]S(C)(=O)=O)cc1)c1cc(F)cc(F)c1 ZINC000759436040 723004475 /nfs/dbraw/zinc/00/44/75/723004475.db2.gz FEUMTCRJPQADIS-SNVBAGLBSA-N -1 3 355.362 3.254 20 0 FGADHM CC(C)C[C@H](OC(=O)c1ccc([N-]S(C)(=O)=O)cc1)c1ccccn1 ZINC000759447152 723004615 /nfs/dbraw/zinc/00/46/15/723004615.db2.gz 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723292136 /nfs/dbraw/zinc/29/21/36/723292136.db2.gz KQLKIXNBBBVQEJ-UHFFFAOYSA-N -1 3 373.210 3.420 20 0 FGADHM CCCCc1nc(NC(=O)C[C@@H]2CSCCS2)c(C(=O)OCC)[n-]1 ZINC000792554932 723347083 /nfs/dbraw/zinc/34/70/83/723347083.db2.gz HLAGORZHVLNXRZ-LLVKDONJSA-N -1 3 371.528 3.106 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(N3CCOC3=O)c2)c(C)c1 ZINC000794600422 723534326 /nfs/dbraw/zinc/53/43/26/723534326.db2.gz DVGYINOCCGUFRA-UHFFFAOYSA-N -1 3 364.398 3.200 20 0 FGADHM Cc1ccc(CC(=O)[N-]OCc2ccc(Cl)cc2-n2cncn2)cc1 ZINC000794720788 723542735 /nfs/dbraw/zinc/54/27/35/723542735.db2.gz ODGMMRQOAFFLSO-UHFFFAOYSA-N -1 3 356.813 3.020 20 0 FGADHM O=C(c1cc2sccc2c([O-])c1)N1CC[C@@](CO)(c2ccccc2)C1 ZINC000794735262 723543540 /nfs/dbraw/zinc/54/35/40/723543540.db2.gz QITVWZQYLFTCSW-HXUWFJFHSA-N -1 3 353.443 3.383 20 0 FGADHM C[C@@H](Oc1ccc(C=O)cc1)C(=O)Nc1ccc(Br)cc1[O-] ZINC000795205307 723572395 /nfs/dbraw/zinc/57/23/95/723572395.db2.gz VXFMGIJTRQWDDC-SNVBAGLBSA-N -1 3 364.195 3.373 20 0 FGADHM CS(=O)(=O)[N-]c1ccc(C(=O)OCc2cccc(C(F)F)c2)cc1 ZINC000795376672 723586429 /nfs/dbraw/zinc/58/64/29/723586429.db2.gz BDDKEMRCAHTHNG-UHFFFAOYSA-N -1 3 355.362 3.353 20 0 FGADHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc(F)c([C@@H](C)O)c2)cc1 ZINC000795382195 723586824 /nfs/dbraw/zinc/58/68/24/723586824.db2.gz WBHJMDZRMXTXQT-GFCCVEGCSA-N -1 3 353.415 3.469 20 0 FGADHM COc1cc(C(=O)OCc2ccc(Cl)cc2OC)cc(OC)c1[O-] ZINC000795569540 723599518 /nfs/dbraw/zinc/59/95/18/723599518.db2.gz ZFWBFMUGHSPXRV-UHFFFAOYSA-N -1 3 352.770 3.428 20 0 FGADHM Cc1ccc(CCCC(=O)[N-]OC[C@@H](C)NC(=O)OC(C)(C)C)cc1 ZINC000767162263 723609167 /nfs/dbraw/zinc/60/91/67/723609167.db2.gz UFQGGCKTPUMDFL-OAHLLOKOSA-N -1 3 350.459 3.279 20 0 FGADHM Cc1ccc([C@@H](O)[C@H](C)[N-]S(=O)(=O)c2cc(F)ccc2Cl)cc1 ZINC000796103061 723621433 /nfs/dbraw/zinc/62/14/33/723621433.db2.gz JBOBZQZKBWUXKL-ZBEGNZNMSA-N -1 3 357.834 3.188 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)OCCC(Cl)(Cl)Cl)c([O-])c1 ZINC000767529857 723622395 /nfs/dbraw/zinc/62/23/95/723622395.db2.gz 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COC(=O)C(=O)[C@H](C)OC(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000778315224 724320936 /nfs/dbraw/zinc/32/09/36/724320936.db2.gz DCENGNWKUBDNOV-JTQLQIEISA-N -1 3 362.765 3.000 20 0 FGADHM C/C=C/C[C@H]([N-]S(=O)(=O)/C=C/c1ccccc1Cl)C(=O)OCC ZINC000784707158 724873635 /nfs/dbraw/zinc/87/36/35/724873635.db2.gz IVEFCEIEAJWIMK-FTWGWIJUSA-N -1 3 357.859 3.128 20 0 FGADHM O=C(COC(=O)c1cc2occc2[n-]1)c1cnc(N2CCCCC2)s1 ZINC000786034007 724954886 /nfs/dbraw/zinc/95/48/86/724954886.db2.gz VYUQQDVYPDBBOQ-UHFFFAOYSA-N -1 3 359.407 3.247 20 0 FGADHM Cc1cnc(Cl)c([N-]S(=O)(=O)c2cnn(-c3ccccc3F)c2)c1 ZINC000786881677 725005156 /nfs/dbraw/zinc/00/51/56/725005156.db2.gz VXMODWBHMKPWLZ-UHFFFAOYSA-N -1 3 366.805 3.169 20 0 FGADHM O=S(=O)([N-]CC1(Cc2ccccc2)CC1)c1cnc(Cl)c(F)c1 ZINC000805043210 725045933 /nfs/dbraw/zinc/04/59/33/725045933.db2.gz PBUJBSWYXYMGOF-UHFFFAOYSA-N -1 3 354.834 3.175 20 0 FGADHM CCC(CC)[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cnc(Cl)c(F)c2)CCO1 ZINC000805057218 725047103 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CCOC(=O)c1csc(COC(=O)CCCc2ccc([O-])c(F)c2)n1 ZINC000814466277 726971436 /nfs/dbraw/zinc/97/14/36/726971436.db2.gz RICURASPMFHJGO-UHFFFAOYSA-N -1 3 367.398 3.231 20 0 FGADHM Cc1nc(C(C)C)ccc1COC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000815177180 727048596 /nfs/dbraw/zinc/04/85/96/727048596.db2.gz FJGMHWPAYLNNPB-UHFFFAOYSA-N -1 3 362.451 3.242 20 0 FGADHM CCc1onc(C)c1[N-]C(=O)c1cn2c(Br)cnc2s1 ZINC000815880329 727103892 /nfs/dbraw/zinc/10/38/92/727103892.db2.gz DRXPIDYAJMELGI-UHFFFAOYSA-N -1 3 355.217 3.269 20 0 FGADHM C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(Cc2c(F)ccc([O-])c2F)C1 ZINC000816564864 727176443 /nfs/dbraw/zinc/17/64/43/727176443.db2.gz SOQKVQNEQMJRNJ-NWDGAFQWSA-N -1 3 356.413 3.406 20 0 FGADHM [O-]c1ccc(F)c(CN2CCC(Oc3cncc(Cl)n3)CC2)c1F ZINC000816574668 727177061 /nfs/dbraw/zinc/17/70/61/727177061.db2.gz OZGCOOVFSZAFEQ-UHFFFAOYSA-N -1 3 355.772 3.157 20 0 FGADHM C[C@@H](NC(=O)c1cc([O-])cc(C(F)(F)F)c1)[C@H](O)c1ccc(F)cc1 ZINC000816957555 727210237 /nfs/dbraw/zinc/21/02/37/727210237.db2.gz QLZBPEWXKJVOIV-PSLIRLAXSA-N -1 3 357.303 3.402 20 0 FGADHM CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1ccc(SC(=O)N(C)C)cc1 ZINC000817352240 727242049 /nfs/dbraw/zinc/24/20/49/727242049.db2.gz SVVNPAVDFTZTEW-AWEZNQCLSA-N -1 3 374.528 3.263 20 0 FGADHM O=C(c1cccc(Cl)c1[O-])N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000819642128 727385996 /nfs/dbraw/zinc/38/59/96/727385996.db2.gz LJJAIXMOKUHZDM-MAUKXSAKSA-N -1 3 356.853 3.392 20 0 FGADHM O=C(Nc1ccc(N2CCCC2=O)c(Cl)c1)c1[n-]cnc1C(F)(F)F ZINC000820159420 728971331 /nfs/dbraw/zinc/97/13/31/728971331.db2.gz IPWTXIMJPJUAPT-UHFFFAOYSA-N -1 3 372.734 3.461 20 0 FGADHM O=C(Nc1ccc(N2CCCC2=O)c(Cl)c1)c1nc[n-]c1C(F)(F)F ZINC000820159420 728971332 /nfs/dbraw/zinc/97/13/32/728971332.db2.gz IPWTXIMJPJUAPT-UHFFFAOYSA-N -1 3 372.734 3.461 20 0 FGADHM O=S(=O)([N-]Cc1nc2ccccc2o1)c1cc(C(F)(F)F)ccc1F ZINC000820717608 729020958 /nfs/dbraw/zinc/02/09/58/729020958.db2.gz YOJIRBPWOMWBET-UHFFFAOYSA-N -1 3 374.315 3.464 20 0 FGADHM COc1cccc(S([O-])=CC(=O)OCCSCc2ccccc2)c1 ZINC000821352669 729079574 /nfs/dbraw/zinc/07/95/74/729079574.db2.gz MBAQOSSLFSUDTM-DEOSSOPVSA-N -1 3 364.488 3.279 20 0 FGADHM Cc1cc(F)c(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCC3)cc1F ZINC000822202338 729153527 /nfs/dbraw/zinc/15/35/27/729153527.db2.gz VZDYHMHTVQBCSC-UHFFFAOYSA-N -1 3 361.377 3.256 20 0 FGADHM Cc1cc(F)c(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)cc1F ZINC000822202338 729153530 /nfs/dbraw/zinc/15/35/30/729153530.db2.gz VZDYHMHTVQBCSC-UHFFFAOYSA-N -1 3 361.377 3.256 20 0 FGADHM COc1cc(-c2noc([C@H]3C[C@H](C)CCN3)n2)cc(Br)c1[O-] ZINC000823074664 729249995 /nfs/dbraw/zinc/24/99/95/729249995.db2.gz FTYXQLMMEODNHJ-LDYMZIIASA-N -1 3 368.231 3.274 20 0 FGADHM Brc1ccc(NCCCOC2CCCC2)c(-c2nnn[n-]2)c1 ZINC000823832541 729307987 /nfs/dbraw/zinc/30/79/87/729307987.db2.gz QKTHCMVDRHKWCR-UHFFFAOYSA-N -1 3 366.263 3.390 20 0 FGADHM Brc1ccc(NCCCOC2CCCC2)c(-c2nn[n-]n2)c1 ZINC000823832541 729307995 /nfs/dbraw/zinc/30/79/95/729307995.db2.gz QKTHCMVDRHKWCR-UHFFFAOYSA-N -1 3 366.263 3.390 20 0 FGADHM C[C@H](NC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)[C@@H](C)c1ccccc1 ZINC000824522909 729345389 /nfs/dbraw/zinc/34/53/89/729345389.db2.gz WULHCVBJFGKKKR-NEPJUHHUSA-N -1 3 355.829 3.442 20 0 FGADHM C[C@H](NC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)[C@@H](C)c1ccccc1 ZINC000824522909 729345390 /nfs/dbraw/zinc/34/53/90/729345390.db2.gz WULHCVBJFGKKKR-NEPJUHHUSA-N -1 3 355.829 3.442 20 0 FGADHM CCC(CC)C(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000825096766 729370731 /nfs/dbraw/zinc/37/07/31/729370731.db2.gz QQXMBDJMSLJXFL-UHFFFAOYSA-N -1 3 359.821 3.081 20 0 FGADHM CCC(CC)C(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000825096766 729370732 /nfs/dbraw/zinc/37/07/32/729370732.db2.gz QQXMBDJMSLJXFL-UHFFFAOYSA-N -1 3 359.821 3.081 20 0 FGADHM CCCCCc1nnc(NCc2ccc(OC)c(-c3nnn[n-]3)c2)s1 ZINC000825276126 729376671 /nfs/dbraw/zinc/37/66/71/729376671.db2.gz QOFVZMDMEGUCQT-UHFFFAOYSA-N -1 3 359.459 3.072 20 0 FGADHM CCCCCc1nnc(NCc2ccc(OC)c(-c3nn[n-]n3)c2)s1 ZINC000825276126 729376673 /nfs/dbraw/zinc/37/66/73/729376673.db2.gz QOFVZMDMEGUCQT-UHFFFAOYSA-N -1 3 359.459 3.072 20 0 FGADHM CCN(Cc1nc2c(s1)CCC2)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825443275 729383526 /nfs/dbraw/zinc/38/35/26/729383526.db2.gz BHTPXWYREFAECG-LBPRGKRZSA-N -1 3 354.483 3.395 20 0 FGADHM O=C([N-]CC1CCN(c2nccc3cc(F)ccc32)CC1)C(F)(F)F ZINC000826040230 729403274 /nfs/dbraw/zinc/40/32/74/729403274.db2.gz NGENTKKHWWKKMB-UHFFFAOYSA-N -1 3 355.335 3.269 20 0 FGADHM Cc1c(Cl)cnc(NCc2ccnc(OC(C)C)c2)c1-c1nnn[n-]1 ZINC000826240217 729406663 /nfs/dbraw/zinc/40/66/63/729406663.db2.gz IXJVIDPOYZOKOB-UHFFFAOYSA-N -1 3 359.821 3.018 20 0 FGADHM Cc1c(Cl)cnc(NCc2ccnc(OC(C)C)c2)c1-c1nn[n-]n1 ZINC000826240217 729406664 /nfs/dbraw/zinc/40/66/64/729406664.db2.gz IXJVIDPOYZOKOB-UHFFFAOYSA-N -1 3 359.821 3.018 20 0 FGADHM Cc1c(Cl)cnc(NC[C@H]2[C@@H]3c4ccccc4C[C@H]23)c1-c1nnn[n-]1 ZINC000826239402 729406678 /nfs/dbraw/zinc/40/66/78/729406678.db2.gz GNEIOIITOFFSJW-XJKCOSOUSA-N -1 3 352.829 3.221 20 0 FGADHM Cc1c(Cl)cnc(NC[C@H]2[C@@H]3c4ccccc4C[C@H]23)c1-c1nn[n-]n1 ZINC000826239402 729406679 /nfs/dbraw/zinc/40/66/79/729406679.db2.gz GNEIOIITOFFSJW-XJKCOSOUSA-N -1 3 352.829 3.221 20 0 FGADHM Cc1nc(CCNc2ccc3cc(-c4nnn[n-]4)ccc3n2)sc1C ZINC000826325719 729407075 /nfs/dbraw/zinc/40/70/75/729407075.db2.gz JKVFJXSSOTUVIU-UHFFFAOYSA-N -1 3 351.439 3.143 20 0 FGADHM Cc1nc(CCNc2ccc3cc(-c4nn[n-]n4)ccc3n2)sc1C ZINC000826325719 729407076 /nfs/dbraw/zinc/40/70/76/729407076.db2.gz JKVFJXSSOTUVIU-UHFFFAOYSA-N -1 3 351.439 3.143 20 0 FGADHM FC(F)(F)[C@@H](NCc1ccc(Cl)cn1)c1cccc(-c2nnn[n-]2)c1 ZINC000826366920 729407620 /nfs/dbraw/zinc/40/76/20/729407620.db2.gz DABJYNPTTJKTNJ-ZDUSSCGKSA-N -1 3 368.750 3.308 20 0 FGADHM FC(F)(F)[C@@H](NCc1ccc(Cl)cn1)c1cccc(-c2nn[n-]n2)c1 ZINC000826366920 729407621 /nfs/dbraw/zinc/40/76/21/729407621.db2.gz DABJYNPTTJKTNJ-ZDUSSCGKSA-N -1 3 368.750 3.308 20 0 FGADHM Fc1cccc(O[C@@H]2CCN(c3ccc(-c4nnn[n-]4)c(Cl)c3)C2)c1 ZINC000826377261 729407626 /nfs/dbraw/zinc/40/76/26/729407626.db2.gz KYWFPPMJGAYKGW-CQSZACIVSA-N -1 3 359.792 3.317 20 0 FGADHM Fc1cccc(O[C@@H]2CCN(c3ccc(-c4nn[n-]n4)c(Cl)c3)C2)c1 ZINC000826377261 729407627 /nfs/dbraw/zinc/40/76/27/729407627.db2.gz KYWFPPMJGAYKGW-CQSZACIVSA-N -1 3 359.792 3.317 20 0 FGADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1Br)[C@H]1CC=CCC1 ZINC000826464596 729408123 /nfs/dbraw/zinc/40/81/23/729408123.db2.gz DSSVIKDVMIAROJ-JTQLQIEISA-N -1 3 363.215 3.029 20 0 FGADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1Br)[C@H]1CC=CCC1 ZINC000826464596 729408124 /nfs/dbraw/zinc/40/81/24/729408124.db2.gz DSSVIKDVMIAROJ-JTQLQIEISA-N -1 3 363.215 3.029 20 0 FGADHM C[C@H]1CN(C(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)C[C@H](C)C1(F)F ZINC000827016888 729421751 /nfs/dbraw/zinc/42/17/51/729421751.db2.gz WFTSZPKGBZDVNP-IUCAKERBSA-N -1 3 356.319 3.170 20 0 FGADHM C[C@@H]1CCN(Cc2ccnc3ccccc23)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000827853022 729436037 /nfs/dbraw/zinc/43/60/37/729436037.db2.gz ZXCOXAFKBYLSDF-WBMJQRKESA-N -1 3 351.372 3.124 20 0 FGADHM COc1cc(CN2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)ccc1Cl ZINC000829952225 729525514 /nfs/dbraw/zinc/52/55/14/729525514.db2.gz IBIASNJOYBHJQG-LBPRGKRZSA-N -1 3 364.795 3.239 20 0 FGADHM Cc1c([N-]S(=O)(=O)/C=C\c2ccc(C)cc2)cnn1C1CCOCC1 ZINC000830028322 729531363 /nfs/dbraw/zinc/53/13/63/729531363.db2.gz JFLAZOKKYZKJCW-XFXZXTDPSA-N -1 3 361.467 3.264 20 0 FGADHM CC(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000830761497 729592442 /nfs/dbraw/zinc/59/24/42/729592442.db2.gz BQQAKXTVQKHHDU-ZDUSSCGKSA-N -1 3 372.849 3.302 20 0 FGADHM O=S(=O)([N-]C[C@H]1CCOC2(CCC2)C1)c1cnc(Cl)c(Cl)c1 ZINC000832136176 729691373 /nfs/dbraw/zinc/69/13/73/729691373.db2.gz NDVPMEDZCPLXQP-JTQLQIEISA-N -1 3 365.282 3.016 20 0 FGADHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N1CCn2nc(C3CC3)cc2C1 ZINC000834440037 729803628 /nfs/dbraw/zinc/80/36/28/729803628.db2.gz JDRPKUDIXIVVCZ-UHFFFAOYSA-N -1 3 351.328 3.141 20 0 FGADHM COc1ccccc1C(F)(F)C(=O)[N-]Cc1ccc(OC(F)F)cn1 ZINC000834630716 729820360 /nfs/dbraw/zinc/82/03/60/729820360.db2.gz CXJDCAPQZQDFIK-UHFFFAOYSA-N -1 3 358.291 3.100 20 0 FGADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1ccc(N(C)C(C)C)c(F)c1 ZINC000836292181 729950855 /nfs/dbraw/zinc/95/08/55/729950855.db2.gz CCUXCELYOIZEOO-UHFFFAOYSA-N -1 3 355.410 3.065 20 0 FGADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1ccc(N(C)C(C)C)c(F)c1 ZINC000836292181 729950856 /nfs/dbraw/zinc/95/08/56/729950856.db2.gz CCUXCELYOIZEOO-UHFFFAOYSA-N -1 3 355.410 3.065 20 0 FGADHM O=C([N-]C[C@@H]1CCCN(C(=O)NCC2CCCCCC2)C1)C(F)(F)F ZINC000836596122 729961913 /nfs/dbraw/zinc/96/19/13/729961913.db2.gz BCXJBSWXWZQTES-AWEZNQCLSA-N -1 3 363.424 3.057 20 0 FGADHM CC[C@H](NC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1)C1CCCC1 ZINC000836644527 729963714 /nfs/dbraw/zinc/96/37/14/729963714.db2.gz NMICGFZKDPQFGM-OCCSQVGLSA-N -1 3 363.424 3.055 20 0 FGADHM COC[C@H](COC(=O)c1cncc([O-])c1)c1ccc(Br)cc1 ZINC000837516906 730037201 /nfs/dbraw/zinc/03/72/01/730037201.db2.gz KEMYMGASFADILM-CYBMUJFWSA-N -1 3 366.211 3.137 20 0 FGADHM CCOc1c(Cl)cccc1CC(=O)OCc1cc(=O)[n-]c(C2CC2)n1 ZINC000837664124 730052118 /nfs/dbraw/zinc/05/21/18/730052118.db2.gz XFFRCAXHWUCOQD-UHFFFAOYSA-N -1 3 362.813 3.398 20 0 FGADHM Cc1sc2[n-]c([C@@H](C)OC(=O)[C@H](C)c3cncnc3)nc(=O)c2c1C ZINC000838383694 730115214 /nfs/dbraw/zinc/11/52/14/730115214.db2.gz PAESUIBIPXSRKH-NXEZZACHSA-N -1 3 358.423 3.212 20 0 FGADHM CC(C)=CCSC[C@@H](NCc1c(Cl)n(C)nc1C(C)C)C(=O)[O-] ZINC000841808447 730277301 /nfs/dbraw/zinc/27/73/01/730277301.db2.gz LRVQVYLQWXGPTG-CYBMUJFWSA-N -1 3 359.923 3.439 20 0 FGADHM COCC1([N-]C(=O)C(F)(F)c2cccc(Cl)c2Cl)CCOCC1 ZINC000843894242 730664006 /nfs/dbraw/zinc/66/40/06/730664006.db2.gz UUWLOAOTDRWAJG-UHFFFAOYSA-N -1 3 368.207 3.397 20 0 FGADHM CN(Cc1ccc(F)cc1)C(=O)COC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000844342535 730705281 /nfs/dbraw/zinc/70/52/81/730705281.db2.gz HGCCNRVOOPSRDB-UHFFFAOYSA-N -1 3 359.184 3.276 20 0 FGADHM CC(C)[C@@H](OC(=O)c1ccc(N)c(Cl)c1[O-])C(=O)N1CCC[C@H](C)C1 ZINC000845192957 730818207 /nfs/dbraw/zinc/81/82/07/730818207.db2.gz IWRWANDUKBVXRW-MEDUHNTESA-N -1 3 368.861 3.068 20 0 FGADHM CCN(C(=O)[C@@H](C)OC(=O)c1ccc(N)c(Cl)c1[O-])C1CCCCC1 ZINC000845195422 730818411 /nfs/dbraw/zinc/81/84/11/730818411.db2.gz XSDSXKPHONUKIF-LLVKDONJSA-N -1 3 368.861 3.354 20 0 FGADHM Cc1nn(C)c(Cl)c1CN(C)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000846024300 730920989 /nfs/dbraw/zinc/92/09/89/730920989.db2.gz FNXHSULIBDCVEX-UHFFFAOYSA-N -1 3 353.825 3.208 20 0 FGADHM O=C([N-]C[C@H]1CCCN(C(=O)c2cccc(C3CC3)c2)C1)C(F)(F)F ZINC000847052137 731012071 /nfs/dbraw/zinc/01/20/71/731012071.db2.gz IQSVXPPDVUKYTD-GFCCVEGCSA-N -1 3 354.372 3.095 20 0 FGADHM O=S(=O)([N-][C@H](C1CC1)[C@@H]1CCCCO1)c1cnc(Cl)c(Cl)c1 ZINC000848467066 731168436 /nfs/dbraw/zinc/16/84/36/731168436.db2.gz YGBCSZWLCPTUDV-QWHCGFSZSA-N -1 3 365.282 3.014 20 0 FGADHM CC[C@H](NC(=S)NN=c1ncc(Br)c[n-]1)c1cccs1 ZINC000848652870 731192028 /nfs/dbraw/zinc/19/20/28/731192028.db2.gz FKVMRPQEGFSJBM-VIFPVBQESA-N -1 3 372.317 3.243 20 0 FGADHM C[C@@H](CC(C)(C)C)NC(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C ZINC000848661841 731193501 /nfs/dbraw/zinc/19/35/01/731193501.db2.gz XZBSMZZNVCUGKQ-QJPTWQEYSA-N -1 3 351.413 3.052 20 0 FGADHM Cc1ccc(C[S@@](=O)Cc2nc(C(F)(F)F)cc(=O)[n-]2)c(Cl)n1 ZINC000849221019 731235752 /nfs/dbraw/zinc/23/57/52/731235752.db2.gz FPXSZUCXSYOXJM-HSZRJFAPSA-N -1 3 365.764 3.007 20 0 FGADHM Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1CN[C@H]1C[C@H](C(=O)[O-])C1 ZINC000849232118 731237275 /nfs/dbraw/zinc/23/72/75/731237275.db2.gz QZTGFJXJFHFMAT-MQMHXKEQSA-N -1 3 368.264 3.499 20 0 FGADHM O=C(CCOc1ccc(Cl)c(F)c1)OCc1cc(=O)[n-]c(C2CC2)n1 ZINC000850294219 731340480 /nfs/dbraw/zinc/34/04/80/731340480.db2.gz YDGGOVQKEDIPSV-UHFFFAOYSA-N -1 3 366.776 3.364 20 0 FGADHM O=S(=O)([N-][C@@H]1[C@H]2Cc3cc(F)ccc3[C@@H]12)c1ccc(Cl)nc1Cl ZINC000851853850 731509397 /nfs/dbraw/zinc/50/93/97/731509397.db2.gz LMLOIBVMKIFDHD-ZLKJLUDKSA-N -1 3 373.236 3.144 20 0 FGADHM O=C([N-]C[C@@H]1CCCN(C(=O)C2CC3(C2)CCCCC3)C1)C(F)(F)F ZINC000854526710 731838789 /nfs/dbraw/zinc/83/87/89/731838789.db2.gz OBZDXGPHWCVWOO-ZDUSSCGKSA-N -1 3 360.420 3.264 20 0 FGADHM CC(C)c1ccc(C(=O)N2CCn3ncc(Br)c3C2)c([O-])c1 ZINC000856011308 731975406 /nfs/dbraw/zinc/97/54/06/731975406.db2.gz FIORHMNQORYWFD-UHFFFAOYSA-N -1 3 364.243 3.131 20 0 FGADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCC(F)(F)c1ccc(F)cc1 ZINC000856155573 731988233 /nfs/dbraw/zinc/98/82/33/731988233.db2.gz CHPCAUHCYCPHKZ-UHFFFAOYSA-N -1 3 353.344 3.275 20 0 FGADHM COc1c(C)cnc(CNC(=O)c2cc([O-])cc(C(F)(F)F)c2)c1C ZINC000857091479 732102184 /nfs/dbraw/zinc/10/21/84/732102184.db2.gz FHEBMYXRKWKLEF-UHFFFAOYSA-N -1 3 354.328 3.361 20 0 FGADHM CCC(C)(C)[C@H](O)C(=O)O[C@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000859763828 732389816 /nfs/dbraw/zinc/38/98/16/732389816.db2.gz VCJIRVWNGILEBS-BXKDBHETSA-N -1 3 352.456 3.415 20 0 FGADHM CCCCc1noc(COC(=O)c2cc([O-])cc(Br)c2)n1 ZINC000860202512 732468209 /nfs/dbraw/zinc/46/82/09/732468209.db2.gz XHTNVRAVBBZBGO-UHFFFAOYSA-N -1 3 355.188 3.237 20 0 FGADHM 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CCOC(=O)c1ccc(OCc2nc(=O)c3c(C)c(C)sc3[n-]2)cc1 ZINC000069199004 493935338 /nfs/dbraw/zinc/93/53/38/493935338.db2.gz CVVKEMPWYRXYNI-UHFFFAOYSA-N -1 3 358.419 3.357 20 0 FGADHM CCN(C(=O)CN1CC[C@H](C)[C@H](C(=O)[O-])C1)c1cccc2ccccc21 ZINC000577220317 505690419 /nfs/dbraw/zinc/69/04/19/505690419.db2.gz MUULQKDKTDDCFP-MAUKXSAKSA-N -1 3 354.450 3.235 20 0 FGADHM Cc1csc([C@H]([N-]S(=O)(=O)C[C@@H]2CCCC2(F)F)C2CC2)n1 ZINC000571255217 505690579 /nfs/dbraw/zinc/69/05/79/505690579.db2.gz ZIYJRSBHWOMHDP-NWDGAFQWSA-N -1 3 350.456 3.257 20 0 FGADHM CCc1cccc(C(=O)Nc2ccc(OCc3nc(C)no3)cc2)c1[O-] ZINC000081781409 493953561 /nfs/dbraw/zinc/95/35/61/493953561.db2.gz AMPBJWXTCAYFDA-UHFFFAOYSA-N -1 3 353.378 3.477 20 0 FGADHM CCc1cccc(C(=O)N2CCC[C@@H](CNC(=O)c3ccccc3)C2)c1[O-] ZINC000081808331 493958161 /nfs/dbraw/zinc/95/81/61/493958161.db2.gz FOSBZHRSOUWHEL-INIZCTEOSA-N -1 3 366.461 3.237 20 0 FGADHM Cc1sc2[n-]c([C@@H](C)n3nnc(-c4cccc(F)c4)n3)nc(=O)c2c1C ZINC000031734396 493958529 /nfs/dbraw/zinc/95/85/29/493958529.db2.gz QGVXBBFYLLRSLI-SECBINFHSA-N -1 3 370.413 3.003 20 0 FGADHM CCCN(CCc1ccccn1)C(=O)c1ccc2[n-]c(OCC)nc2c1 ZINC000568426761 505691453 /nfs/dbraw/zinc/69/14/53/505691453.db2.gz RNTGDCPLNCTFOG-UHFFFAOYSA-N -1 3 352.438 3.452 20 0 FGADHM CCCN(CCc1ccccn1)C(=O)c1ccc2nc(OCC)[n-]c2c1 ZINC000568426761 505691454 /nfs/dbraw/zinc/69/14/54/505691454.db2.gz RNTGDCPLNCTFOG-UHFFFAOYSA-N -1 3 352.438 3.452 20 0 FGADHM CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000061210825 493969134 /nfs/dbraw/zinc/96/91/34/493969134.db2.gz NVQDPLCRGZNIII-UHFFFAOYSA-N -1 3 366.417 3.208 20 0 FGADHM CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)c2cc3c(cc2[O-])CCCC3)C1 ZINC000051444073 493970550 /nfs/dbraw/zinc/97/05/50/493970550.db2.gz HLOKTIAFUCPRJQ-CRAIPNDOSA-N -1 3 372.509 3.428 20 0 FGADHM CCc1cccc(C(=O)N2CCC[C@@H](C(=O)Nc3ccc(C)cn3)C2)c1[O-] ZINC000081943676 493971466 /nfs/dbraw/zinc/97/14/66/493971466.db2.gz GRRVQSNYFPWZHS-MRXNPFEDSA-N -1 3 367.449 3.149 20 0 FGADHM COC(=O)c1c(C)nc(=O)[n-]c1SCC(=O)c1c(C)c(C)cc(C)c1C ZINC000061413361 493977959 /nfs/dbraw/zinc/97/79/59/493977959.db2.gz VDLJYNCGHVULPL-UHFFFAOYSA-N -1 3 374.462 3.074 20 0 FGADHM O=C(CCC1CCCC1)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000076920738 493988872 /nfs/dbraw/zinc/98/88/72/493988872.db2.gz OPYCCSKMHSVODX-UHFFFAOYSA-N -1 3 354.447 3.175 20 0 FGADHM Cc1ccc([N-]S(=O)(=O)C[C@@H]2CCCCO2)cc1NC(=O)C(C)(C)C ZINC000076937522 493992353 /nfs/dbraw/zinc/99/23/53/493992353.db2.gz TZTZYHRWVBQGBZ-HNNXBMFYSA-N -1 3 368.499 3.290 20 0 FGADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H]1CCCc2cc(OC(F)F)ccc21 ZINC000069650960 493993118 /nfs/dbraw/zinc/99/31/18/493993118.db2.gz VKDNUEAHHJYDGN-CQSZACIVSA-N -1 3 372.393 3.249 20 0 FGADHM CCOc1ccc(S(=O)(=O)[N-]c2cc(C(=O)OC)ccc2F)cc1C ZINC000032589898 493997907 /nfs/dbraw/zinc/99/79/07/493997907.db2.gz GNBQTEZQCSWERM-UHFFFAOYSA-N -1 3 367.398 3.120 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)cc2)cc1Cl ZINC000032595453 493999254 /nfs/dbraw/zinc/99/92/54/493999254.db2.gz WZDBRWBKNJRJDJ-UHFFFAOYSA-N -1 3 363.826 3.335 20 0 FGADHM O=C(NC1(c2cccc(Br)c2)CC1)c1ccc2n[n-]nc2c1 ZINC000077126581 494020678 /nfs/dbraw/zinc/02/06/78/494020678.db2.gz YCGKHPSDJOIMTG-UHFFFAOYSA-N -1 3 357.211 3.140 20 0 FGADHM CC(C)(C)c1cc2c([n-]c(CC(=O)NCCc3ccccc3)nc2=O)s1 ZINC000069981639 494034081 /nfs/dbraw/zinc/03/40/81/494034081.db2.gz XDBBNZNJDYUMCA-UHFFFAOYSA-N -1 3 369.490 3.184 20 0 FGADHM O=C(COCCc1ccccc1)Nc1ccc(Br)cc1[O-] ZINC000070022869 494037524 /nfs/dbraw/zinc/03/75/24/494037524.db2.gz SMVSOBVTLPIEGK-UHFFFAOYSA-N -1 3 350.212 3.353 20 0 FGADHM CC(C)Cc1nnc([N-]C(=O)c2ncccc2OCC(F)(F)F)s1 ZINC000084060212 494044909 /nfs/dbraw/zinc/04/49/09/494044909.db2.gz WPQNNVXQHGTGGH-UHFFFAOYSA-N -1 3 360.361 3.325 20 0 FGADHM CCOc1c(Cl)cc(C(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1OC ZINC000070730728 494051756 /nfs/dbraw/zinc/05/17/56/494051756.db2.gz WFYVFHMAJAPSDA-UHFFFAOYSA-N -1 3 373.800 3.180 20 0 FGADHM CCOc1c(Cl)cc(C(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1OC ZINC000070730728 494051759 /nfs/dbraw/zinc/05/17/59/494051759.db2.gz WFYVFHMAJAPSDA-UHFFFAOYSA-N -1 3 373.800 3.180 20 0 FGADHM COC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000033594495 494060747 /nfs/dbraw/zinc/06/07/47/494060747.db2.gz RLUUQLMPLBKWSY-CQSZACIVSA-N -1 3 357.834 3.015 20 0 FGADHM COc1ccccc1-c1n[n-]c(NC(=O)[C@@H](C)Sc2ccc(C)cc2)n1 ZINC000052778758 494061488 /nfs/dbraw/zinc/06/14/88/494061488.db2.gz QXKSMVXYAPLVSY-CYBMUJFWSA-N -1 3 368.462 3.330 20 0 FGADHM CCC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000077351640 494064271 /nfs/dbraw/zinc/06/42/71/494064271.db2.gz SKNAQAANUCSNBQ-DOMZBBRYSA-N -1 3 356.463 3.286 20 0 FGADHM CCc1ccc(S(=O)(=O)[N-]c2ccccc2N2CCN(CC)CC2)cc1 ZINC000008107572 494068556 /nfs/dbraw/zinc/06/85/56/494068556.db2.gz JZIMWFYAIGZSOB-UHFFFAOYSA-N -1 3 373.522 3.192 20 0 FGADHM CC(C)c1cccc(-n2cc([O-])c(C(=O)N3CC[C@H]4CC[C@@H](C3)N4C)n2)c1 ZINC000084407025 494070103 /nfs/dbraw/zinc/07/01/03/494070103.db2.gz SIJPRXYYXUEMOA-AEFFLSMTSA-N -1 3 368.481 3.010 20 0 FGADHM CCc1[n-][nH]c(=NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)c1-c1ccc2c(c1)OCO2 ZINC000580180778 505697855 /nfs/dbraw/zinc/69/78/55/505697855.db2.gz FYFWPRRMQAUTLC-MRVWCRGKSA-N -1 3 353.422 3.164 20 0 FGADHM COc1ccc(C(C)(C)C[N-]S(=O)(=O)c2cc(C)ccc2F)cc1 ZINC000063773680 494086162 /nfs/dbraw/zinc/08/61/62/494086162.db2.gz SCZLAZXGOYHUCK-UHFFFAOYSA-N -1 3 351.443 3.399 20 0 FGADHM Cc1ccoc1C(=O)[N-]c1ncn(Cc2cccc(Br)c2)n1 ZINC000064463175 494124807 /nfs/dbraw/zinc/12/48/07/494124807.db2.gz UCGMZIZSSITNOQ-UHFFFAOYSA-N -1 3 361.199 3.243 20 0 FGADHM O=C([N-]c1nc(-c2ccccc2)ns1)c1cn(Cc2ccccc2)nn1 ZINC000077649533 494132215 /nfs/dbraw/zinc/13/22/15/494132215.db2.gz WANUYZAGZSBWTG-UHFFFAOYSA-N -1 3 362.418 3.097 20 0 FGADHM COc1cc(CNc2ccc(CCO)cc2)cc(Br)c1[O-] ZINC000040738396 494146312 /nfs/dbraw/zinc/14/63/12/494146312.db2.gz JFNYYZMQJCVXSG-UHFFFAOYSA-N -1 3 352.228 3.310 20 0 FGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(NC(=O)N2CCCCCC2)ccc1F ZINC000077724949 494158330 /nfs/dbraw/zinc/15/83/30/494158330.db2.gz YUBHKRMIPHQWSB-UHFFFAOYSA-N -1 3 371.478 3.310 20 0 FGADHM COC(=O)c1c(C)nc(=O)[n-]c1SCCCOc1cccc(Cl)c1 ZINC000065203894 494179075 /nfs/dbraw/zinc/17/90/75/494179075.db2.gz KXAKNMNALBVRCF-UHFFFAOYSA-N -1 3 368.842 3.080 20 0 FGADHM CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)cc1CO ZINC000054040922 494188583 /nfs/dbraw/zinc/18/85/83/494188583.db2.gz ACYKYDPRYHGQRH-UHFFFAOYSA-N -1 3 361.463 3.257 20 0 FGADHM CCc1ccc(S(=O)(=O)[N-]c2ccc(CN3CCCC3=O)cc2)cc1 ZINC000077956123 494205145 /nfs/dbraw/zinc/20/51/45/494205145.db2.gz VOBYVGFIOGQKJI-UHFFFAOYSA-N -1 3 358.463 3.172 20 0 FGADHM COc1ccc([O-])c(C(=O)N(C)Cc2csc(Br)c2)c1 ZINC000042307220 494215011 /nfs/dbraw/zinc/21/50/11/494215011.db2.gz FIRWAAPZPLVRMV-UHFFFAOYSA-N -1 3 356.241 3.497 20 0 FGADHM COCCOc1ccc(CNC(=O)c2cc3c(cc2[O-])CCCC3)cc1 ZINC000065617939 494220377 /nfs/dbraw/zinc/22/03/77/494220377.db2.gz TWZOCHPQGIDUEW-UHFFFAOYSA-N -1 3 355.434 3.226 20 0 FGADHM CCCCCNC(=O)C1CCN(C(=O)c2cc3c(cc2[O-])CCCC3)CC1 ZINC000065618312 494220586 /nfs/dbraw/zinc/22/05/86/494220586.db2.gz CCJDXYRQVISDOI-UHFFFAOYSA-N -1 3 372.509 3.430 20 0 FGADHM C[C@H](NC(=O)c1cc2c(cc1[O-])CCCC2)c1ccc2c(c1)CC(=O)N2 ZINC000065619629 494221392 /nfs/dbraw/zinc/22/13/92/494221392.db2.gz LTDKZGBLVULCKM-LBPRGKRZSA-N -1 3 350.418 3.257 20 0 FGADHM Cc1nc(C)c(CCC(=O)N2CCC[C@H]2Cc2ccccc2Cl)c(=O)[n-]1 ZINC000065697119 494226665 /nfs/dbraw/zinc/22/66/65/494226665.db2.gz HZHNAVBDDOLAHV-INIZCTEOSA-N -1 3 373.884 3.206 20 0 FGADHM O=S(=O)([N-][C@H]1CC[C@@H](F)C1)c1cc(Br)ccc1Cl ZINC000568494328 505708857 /nfs/dbraw/zinc/70/88/57/505708857.db2.gz CMFOEYXIVLFXTI-BDAKNGLRSA-N -1 3 356.644 3.271 20 0 FGADHM CCn1c2ccccc2nc1[C@H](C)NC(=O)c1c[n-]nc1-c1ccccn1 ZINC000571333758 505709012 /nfs/dbraw/zinc/70/90/12/505709012.db2.gz KOTGUUZBTZEEMI-ZDUSSCGKSA-N -1 3 360.421 3.332 20 0 FGADHM CCn1c2ccccc2nc1[C@H](C)NC(=O)c1cn[n-]c1-c1ccccn1 ZINC000571333758 505709014 /nfs/dbraw/zinc/70/90/14/505709014.db2.gz KOTGUUZBTZEEMI-ZDUSSCGKSA-N -1 3 360.421 3.332 20 0 FGADHM CCc1noc(CC)c1CC(=O)Nc1cc(Br)ccc1[O-] ZINC000088403616 494235483 /nfs/dbraw/zinc/23/54/83/494235483.db2.gz WINOCFFTRNURGS-UHFFFAOYSA-N -1 3 353.216 3.449 20 0 FGADHM CC[C@@H]1CCCN(C(=O)Nc2ccc([N-]S(=O)(=O)CC)c(OC)c2)C1 ZINC000065789793 494238283 /nfs/dbraw/zinc/23/82/83/494238283.db2.gz BWMKAWXHGNBZBD-CYBMUJFWSA-N -1 3 369.487 3.111 20 0 FGADHM O=C(CNC(=O)c1ccc([O-])cc1)N[C@@H](c1ccccc1F)C1CCCC1 ZINC000088463448 494240739 /nfs/dbraw/zinc/24/07/39/494240739.db2.gz ROTINSMRLSDCQF-HXUWFJFHSA-N -1 3 370.424 3.309 20 0 FGADHM O=S(=O)([N-]CCc1nc2ccccc2s1)c1ccc(F)cc1F ZINC000072727999 494241071 /nfs/dbraw/zinc/24/10/71/494241071.db2.gz GCZCMJKFIDFBPI-UHFFFAOYSA-N -1 3 354.403 3.096 20 0 FGADHM COc1cc(F)c(Br)cc1S(=O)(=O)[N-]C(C)(C)C1CC1 ZINC000580217016 505706191 /nfs/dbraw/zinc/70/61/91/505706191.db2.gz PSEIHENSYFAARG-UHFFFAOYSA-N -1 3 366.252 3.064 20 0 FGADHM CCOC(=O)c1sc2[n-]c([C@H](C)N3C[C@H](C)[C@H](C)C3)nc(=O)c2c1C ZINC000072870282 494273697 /nfs/dbraw/zinc/27/36/97/494273697.db2.gz IMSCUDDQCXSJSO-UMNHJUIQSA-N -1 3 363.483 3.119 20 0 FGADHM CNC(=O)Cc1ccc([N-]S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)cc1 ZINC000013850515 494296452 /nfs/dbraw/zinc/29/64/52/494296452.db2.gz DEXYYVXBQZNAAV-UHFFFAOYSA-N -1 3 374.506 3.318 20 0 FGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1csc(-c2cccs2)n1 ZINC000078438333 494296761 /nfs/dbraw/zinc/29/67/61/494296761.db2.gz JBZXWCWYSVPBJV-UHFFFAOYSA-N -1 3 354.420 3.304 20 0 FGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1csc(-c2cccs2)n1 ZINC000078438333 494296766 /nfs/dbraw/zinc/29/67/66/494296766.db2.gz JBZXWCWYSVPBJV-UHFFFAOYSA-N -1 3 354.420 3.304 20 0 FGADHM CCc1onc(C)c1[N-]C(=O)c1csc(CNC(=O)OC(C)(C)C)n1 ZINC000089394973 494300178 /nfs/dbraw/zinc/30/01/78/494300178.db2.gz PRUJQOQBULITPJ-UHFFFAOYSA-N -1 3 366.443 3.279 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccncc3Cl)c2)n1 ZINC000073020336 494307363 /nfs/dbraw/zinc/30/73/63/494307363.db2.gz RGRDGNKRKVQFDG-UHFFFAOYSA-N -1 3 354.797 3.300 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC(OCc3ccccc3)CC2)c1 ZINC000055160551 494308724 /nfs/dbraw/zinc/30/87/24/494308724.db2.gz XFRHDMAKHGXEQP-UHFFFAOYSA-N -1 3 368.433 3.172 20 0 FGADHM COc1cccc(C(=O)NCc2ccc(OCC(F)(F)F)cc2)c1[O-] ZINC000078502020 494309027 /nfs/dbraw/zinc/30/90/27/494309027.db2.gz YPMBDKKQTPVTTJ-UHFFFAOYSA-N -1 3 355.312 3.272 20 0 FGADHM C[C@H](OC[C@H]1CCCCO1)C(=O)Nc1ccc(Br)cc1[O-] ZINC000066315113 494310324 /nfs/dbraw/zinc/31/03/24/494310324.db2.gz AQHOYMQLXZZXJU-CMPLNLGQSA-N -1 3 358.232 3.067 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C)c2ccc(OC(F)F)cc2)c1 ZINC000055194796 494312951 /nfs/dbraw/zinc/31/29/51/494312951.db2.gz MLFOCAJYBVBBJQ-JTQLQIEISA-N -1 3 364.348 3.443 20 0 FGADHM Cc1ccn(-c2ccc([N-]S(=O)(=O)c3ccc4c(c3)C[C@H](C)O4)cc2)n1 ZINC000574177343 505713134 /nfs/dbraw/zinc/71/31/34/505713134.db2.gz ODHSNEJXKDJRBB-AWEZNQCLSA-N -1 3 369.446 3.305 20 0 FGADHM CC(C)c1nncn1CCNC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000073145629 494328133 /nfs/dbraw/zinc/32/81/33/494328133.db2.gz PWSCZLPBPUKKTI-UHFFFAOYSA-N -1 3 364.449 3.128 20 0 FGADHM O=C([N-]c1ccc(F)c(F)c1F)c1nc(N2CCCC2)ncc1Cl ZINC000044266344 494346732 /nfs/dbraw/zinc/34/67/32/494346732.db2.gz WVKFVOROYXYQQE-UHFFFAOYSA-N -1 3 356.735 3.400 20 0 FGADHM C[N-]S(=O)(=O)c1ccc(CNC(=O)C[C@H]2C[C@H](C)CC(C)(C)C2)s1 ZINC000066606392 494365114 /nfs/dbraw/zinc/36/51/14/494365114.db2.gz DYBLPJWOUHBWHK-QWHCGFSZSA-N -1 3 372.556 3.125 20 0 FGADHM O=C(/C=C/c1ccc(F)cc1)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000016112074 494377979 /nfs/dbraw/zinc/37/79/79/494377979.db2.gz FNGXJKZYTVHNMA-JXMROGBWSA-N -1 3 368.408 3.422 20 0 FGADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(OCCOC)cc2C)cc1 ZINC000055643739 494380634 /nfs/dbraw/zinc/38/06/34/494380634.db2.gz LVTHPUWSGDLPMX-UHFFFAOYSA-N -1 3 365.451 3.220 20 0 FGADHM COc1ccc(COCCCC(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)cc1 ZINC000089855781 494383607 /nfs/dbraw/zinc/38/36/07/494383607.db2.gz RLTDXXZXYDAZGH-UHFFFAOYSA-N -1 3 370.409 3.317 20 0 FGADHM COc1ccc(COCCCC(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)cc1 ZINC000089855781 494383608 /nfs/dbraw/zinc/38/36/08/494383608.db2.gz RLTDXXZXYDAZGH-UHFFFAOYSA-N -1 3 370.409 3.317 20 0 FGADHM COc1ccc(COCCCC(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)cc1 ZINC000089855781 494383609 /nfs/dbraw/zinc/38/36/09/494383609.db2.gz RLTDXXZXYDAZGH-UHFFFAOYSA-N -1 3 370.409 3.317 20 0 FGADHM CCc1ccc(CN(C(=O)c2ccc([N-]S(C)(=O)=O)cc2)C2CC2)cc1 ZINC000045200254 494406105 /nfs/dbraw/zinc/40/61/05/494406105.db2.gz PHKQJMBHAGSBGJ-UHFFFAOYSA-N -1 3 372.490 3.425 20 0 FGADHM O=C(c1ccc2c(c1)C(=O)[N-]C2=O)N1CCCC[C@H]1CCc1ccccc1 ZINC000089993966 494421812 /nfs/dbraw/zinc/42/18/12/494421812.db2.gz UUPOOTJAZVHSBA-KRWDZBQOSA-N -1 3 362.429 3.198 20 0 FGADHM COc1ccc(C(=O)N2CCN(Cc3ccc(C(C)C)cc3)CC2)c([O-])c1 ZINC000018122178 494424615 /nfs/dbraw/zinc/42/46/15/494424615.db2.gz KNCRWAICJJKZIV-UHFFFAOYSA-N -1 3 368.477 3.482 20 0 FGADHM CCN(Cc1nc(=O)c2sccc2[n-]1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000066885018 494431994 /nfs/dbraw/zinc/43/19/94/494431994.db2.gz KJSOXLVGIKGVAS-ZDUSSCGKSA-N -1 3 357.479 3.446 20 0 FGADHM Cc1cccc(C(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)c1[O-] ZINC000079357146 494440789 /nfs/dbraw/zinc/44/07/89/494440789.db2.gz IQSCDEYLXDVXGN-UHFFFAOYSA-N -1 3 366.248 3.365 20 0 FGADHM O=C(NCCCCOCCc1ccccc1)c1cc(=O)c2ccccc2[n-]1 ZINC000056083775 494451711 /nfs/dbraw/zinc/45/17/11/494451711.db2.gz SQNFAPJWBMRRQB-UHFFFAOYSA-N -1 3 364.445 3.297 20 0 FGADHM Cc1ccc(F)c(S(=O)(=O)[N-][C@H](C)c2ccc3c(c2)CCC(=O)N3)c1 ZINC000056086615 494452429 /nfs/dbraw/zinc/45/24/29/494452429.db2.gz ISYWBGKUYKDZKR-GFCCVEGCSA-N -1 3 362.426 3.058 20 0 FGADHM COc1cccc(CC[N-]S(=O)(=O)c2cccc(Cl)c2F)c1OC ZINC000056109436 494456537 /nfs/dbraw/zinc/45/65/37/494456537.db2.gz DILICHYGCLLZIZ-UHFFFAOYSA-N -1 3 373.833 3.017 20 0 FGADHM Cc1ccc(F)c(S(=O)(=O)[N-]CCCCOCCc2ccccc2)c1 ZINC000056110180 494456687 /nfs/dbraw/zinc/45/66/87/494456687.db2.gz WUWUXYGHDOPSLZ-UHFFFAOYSA-N -1 3 365.470 3.452 20 0 FGADHM COc1cccc(CC[N-]S(=O)(=O)c2ccc(Cl)cc2F)c1OC ZINC000056109554 494456759 /nfs/dbraw/zinc/45/67/59/494456759.db2.gz OCPOVNVHWOQVCU-UHFFFAOYSA-N -1 3 373.833 3.017 20 0 FGADHM O=C(Nc1cccc(CN2CCOCC2)c1)c1c[n-]nc1-c1ccccc1 ZINC000067156764 494486497 /nfs/dbraw/zinc/48/64/97/494486497.db2.gz HSCHXCIZZHOLJS-UHFFFAOYSA-N -1 3 362.433 3.161 20 0 FGADHM COc1cccc(C2(C[N-]S(=O)(=O)c3ccc(Cl)s3)CC2)c1 ZINC000568566576 505723738 /nfs/dbraw/zinc/72/37/38/505723738.db2.gz GEDNZRRCSGNAON-UHFFFAOYSA-N -1 3 357.884 3.420 20 0 FGADHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)CCn3ccnc3C(C)C)c2)n1 ZINC000074221027 494499882 /nfs/dbraw/zinc/49/98/82/494499882.db2.gz CWGKVUMQIBQOGZ-UHFFFAOYSA-N -1 3 365.437 3.094 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CC3(O)CCCCC3)c2)n1 ZINC000074222867 494500734 /nfs/dbraw/zinc/50/07/34/494500734.db2.gz FNGCVTVUUWWJDU-UHFFFAOYSA-N -1 3 355.438 3.023 20 0 FGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)CCc1ccc(Cl)s1 ZINC000056409688 494501628 /nfs/dbraw/zinc/50/16/28/494501628.db2.gz QUPLULOWLGNUPI-UHFFFAOYSA-N -1 3 358.872 3.344 20 0 FGADHM CC(C)COc1cccc(CNC(=O)c2cc(=O)c3ccccc3[n-]2)c1 ZINC000056434834 494503968 /nfs/dbraw/zinc/50/39/68/494503968.db2.gz WTGKYNLVIWPCKW-UHFFFAOYSA-N -1 3 350.418 3.493 20 0 FGADHM COC[C@@H]([N-]S(=O)(=O)c1ccc(C)c(F)c1)c1ccc(F)c(F)c1 ZINC000091056605 494520865 /nfs/dbraw/zinc/52/08/65/494520865.db2.gz FXMMTEIJECOYBL-MRXNPFEDSA-N -1 3 359.369 3.078 20 0 FGADHM Cc1ccc(C(=O)N2CCC[C@@H](c3nnc4n3CCCCC4)C2)c([O-])c1C ZINC000079809022 494529224 /nfs/dbraw/zinc/52/92/24/494529224.db2.gz IXEJHGJHWGZENI-MRXNPFEDSA-N -1 3 368.481 3.347 20 0 FGADHM CC[C@H](CC1CCCC1)C(=O)Nc1cccc([C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000074504194 494548670 /nfs/dbraw/zinc/54/86/70/494548670.db2.gz ULQZAFCYSDBKSL-VLIAUNLRSA-N -1 3 357.454 3.286 20 0 FGADHM Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)[N-]c3nc[nH]n3)cc12 ZINC000023143374 494552523 /nfs/dbraw/zinc/55/25/23/494552523.db2.gz XQEKPDGGEKWOGB-UHFFFAOYSA-N -1 3 372.841 3.478 20 0 FGADHM CCOc1ccccc1[C@@H](CC(C)C)NC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000074549211 494558461 /nfs/dbraw/zinc/55/84/61/494558461.db2.gz NSUULFOGWWVFIK-GOSISDBHSA-N -1 3 371.481 3.232 20 0 FGADHM Cc1ccc(C(=O)NCc2ccc(NC(=O)c3ccco3)cc2)c([O-])c1 ZINC000023342921 494560866 /nfs/dbraw/zinc/56/08/66/494560866.db2.gz HKAAYZWAJNWBIH-UHFFFAOYSA-N -1 3 350.374 3.476 20 0 FGADHM Cc1noc(COc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)n1 ZINC000074685495 494577619 /nfs/dbraw/zinc/57/76/19/494577619.db2.gz JWIOIZWJLWDIQB-UHFFFAOYSA-N -1 3 359.407 3.066 20 0 FGADHM O=c1cc(C[S@](=O)Cc2ccc(Br)s2)nc(C2CC2)[n-]1 ZINC000571419451 505729170 /nfs/dbraw/zinc/72/91/70/505729170.db2.gz AVAMLTKOSWUXQP-FQEVSTJZSA-N -1 3 373.297 3.333 20 0 FGADHM CCc1nc(C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cs1 ZINC000107703878 494587464 /nfs/dbraw/zinc/58/74/64/494587464.db2.gz AECJCVCVPNJOHY-UHFFFAOYSA-N -1 3 351.280 3.491 20 0 FGADHM CC(C)CCC[N-]S(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1 ZINC000092291110 494587436 /nfs/dbraw/zinc/58/74/36/494587436.db2.gz DOICBDSKYDTMIQ-UHFFFAOYSA-N -1 3 374.572 3.167 20 0 FGADHM Cc1cc([N-]C(=O)[C@H](C)Nc2cc(F)ccc2OC[C@@H]2CCCO2)on1 ZINC000107710244 494589528 /nfs/dbraw/zinc/58/95/28/494589528.db2.gz BAHHXQDRZGWQMK-JSGCOSHPSA-N -1 3 363.389 3.119 20 0 FGADHM CC(C)C[C@H](C)[N-]S(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1 ZINC000092317911 494595166 /nfs/dbraw/zinc/59/51/66/494595166.db2.gz DGTYFPJKIXCRGR-ZDUSSCGKSA-N -1 3 374.572 3.166 20 0 FGADHM Cc1oc(-c2cccs2)nc1CC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000121115693 494601905 /nfs/dbraw/zinc/60/19/05/494601905.db2.gz XEVCUMUEPLHOIF-UHFFFAOYSA-N -1 3 366.406 3.073 20 0 FGADHM Cc1oc(-c2cccs2)nc1CC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000121115693 494601909 /nfs/dbraw/zinc/60/19/09/494601909.db2.gz XEVCUMUEPLHOIF-UHFFFAOYSA-N -1 3 366.406 3.073 20 0 FGADHM O=C(Cc1c[nH]c2ccc(F)cc12)Nc1n[n-]c(-c2ccccc2F)n1 ZINC000115712217 494602211 /nfs/dbraw/zinc/60/22/11/494602211.db2.gz MDGCQYSWMMGFTK-UHFFFAOYSA-N -1 3 353.332 3.412 20 0 FGADHM O=C(Nc1cnn(C[C@@H]2CCCO2)c1)c1c[n-]nc1-c1ccc(Cl)cc1 ZINC000056953415 494603117 /nfs/dbraw/zinc/60/31/17/494603117.db2.gz OHMKSYVIVRUCJZ-HNNXBMFYSA-N -1 3 371.828 3.358 20 0 FGADHM O=C(NC1CCN(Cc2ccccn2)CC1)c1ccc2ccccc2c1[O-] ZINC000080136126 494608681 /nfs/dbraw/zinc/60/86/81/494608681.db2.gz FNGPFFOVZBGNHK-UHFFFAOYSA-N -1 3 361.445 3.335 20 0 FGADHM Nc1ncc(Cl)cc1S(=O)(=O)[N-]c1c(F)cc(Cl)cc1F ZINC000091579975 494618447 /nfs/dbraw/zinc/61/84/47/494618447.db2.gz JEIWZKHNOPILBM-UHFFFAOYSA-N -1 3 354.165 3.050 20 0 FGADHM Cc1ccsc1-c1nsc([N-]C(=O)c2ccc(N3CCCC3)nn2)n1 ZINC000131441268 494620684 /nfs/dbraw/zinc/62/06/84/494620684.db2.gz RQAJZDJGYGAWRJ-UHFFFAOYSA-N -1 3 372.479 3.218 20 0 FGADHM CCOc1cc(C(=O)N(C)C)ccc1NC(=O)c1cccc(CC)c1[O-] ZINC000092421574 494621207 /nfs/dbraw/zinc/62/12/07/494621207.db2.gz VWFLZTQVGDAFBL-UHFFFAOYSA-N -1 3 356.422 3.307 20 0 FGADHM Cc1ccn(C)c(=O)c1NC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000092427674 494625616 /nfs/dbraw/zinc/62/56/16/494625616.db2.gz OSGOQJYWIJCWBG-UHFFFAOYSA-N -1 3 362.429 3.437 20 0 FGADHM Cc1cc(C)n2nc(C(=O)[N-]c3nc4c(s3)c(C)ccc4C)nc2n1 ZINC000024553337 494639624 /nfs/dbraw/zinc/63/96/24/494639624.db2.gz NXPRRDFYNQOVGM-UHFFFAOYSA-N -1 3 352.423 3.220 20 0 FGADHM C[N-]S(=O)(=O)c1cc(NC(=O)CC2CCC(C)(C)CC2)ccc1F ZINC000574264638 505733716 /nfs/dbraw/zinc/73/37/16/505733716.db2.gz ZKJSDZPZAGNWPD-UHFFFAOYSA-N -1 3 356.463 3.279 20 0 FGADHM C[C@@]1(c2ccc(NC(=O)c3cccc4ccccc43)cc2)NC(=O)[N-]C1=O ZINC000047255842 494663604 /nfs/dbraw/zinc/66/36/04/494663604.db2.gz PUBDYRRPDGPIFQ-NRFANRHFSA-N -1 3 359.385 3.147 20 0 FGADHM CC[C@@H]1CN(C(=O)NCc2ccc([O-])c(Br)c2)CCS1 ZINC000126203677 494671769 /nfs/dbraw/zinc/67/17/69/494671769.db2.gz YWRDDWMSWCOMBI-LLVKDONJSA-N -1 3 359.289 3.192 20 0 FGADHM CCc1ccc(C(=O)CCC(=O)Nc2ccccc2[N-]S(C)(=O)=O)cc1 ZINC000024884774 494674951 /nfs/dbraw/zinc/67/49/51/494674951.db2.gz CWWRGYCBQXPLHU-UHFFFAOYSA-N -1 3 374.462 3.222 20 0 FGADHM Cc1ccc(SCCC(=O)Nc2ccccc2[N-]S(C)(=O)=O)cc1 ZINC000024882598 494675687 /nfs/dbraw/zinc/67/56/87/494675687.db2.gz SLUKNNPQZLRJIW-UHFFFAOYSA-N -1 3 364.492 3.487 20 0 FGADHM COCCOc1cc([N-]S(=O)(=O)c2ccc(C)cc2C)ccc1OC ZINC000024955833 494682869 /nfs/dbraw/zinc/68/28/69/494682869.db2.gz DUARYMATNUYISR-UHFFFAOYSA-N -1 3 365.451 3.138 20 0 FGADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2cccc(-c3cccnc3)c2)CC1 ZINC000091811059 494687010 /nfs/dbraw/zinc/68/70/10/494687010.db2.gz OGNHDLDZJBKIHF-UHFFFAOYSA-N -1 3 373.456 3.412 20 0 FGADHM COc1ccc(CN2CCC(CNC(=O)c3c([O-])cccc3F)CC2)cc1 ZINC000121298161 494688476 /nfs/dbraw/zinc/68/84/76/494688476.db2.gz UNCYMZWLDVRORE-UHFFFAOYSA-N -1 3 372.440 3.182 20 0 FGADHM CC[C@@H](C)[C@@H](C)NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000057306122 494708715 /nfs/dbraw/zinc/70/87/15/494708715.db2.gz NSNUFEWIKLCAPR-VXGBXAGGSA-N -1 3 367.446 3.119 20 0 FGADHM Cc1cccc([C@H](NC(=O)c2cc(=O)[n-]c(C3CC3)n2)C(F)(F)F)c1 ZINC000580344511 505737046 /nfs/dbraw/zinc/73/70/46/505737046.db2.gz NWUQOOFBMCTHJB-AWEZNQCLSA-N -1 3 351.328 3.401 20 0 FGADHM CC[C@@H](NC(=O)c1cc(OC)c([O-])c(OC)c1)c1nc2ccccc2[nH]1 ZINC000131724192 494711674 /nfs/dbraw/zinc/71/16/74/494711674.db2.gz ZYUAZHIBMZSCHC-GFCCVEGCSA-N -1 3 355.394 3.167 20 0 FGADHM CC(C)(C)c1ccc(CCC(=O)NCCNC(=O)c2ccc([O-])cc2)cc1 ZINC000047552761 494733872 /nfs/dbraw/zinc/73/38/72/494733872.db2.gz FTHOGJHUXOPORD-UHFFFAOYSA-N -1 3 368.477 3.169 20 0 FGADHM O=S(=O)(Cc1c(Cl)cccc1Cl)[N-][C@@H]1c2ccccc2C[C@H]1O ZINC000126396145 494737153 /nfs/dbraw/zinc/73/71/53/494737153.db2.gz KZELPIMWZHRJGO-HZPDHXFCSA-N -1 3 372.273 3.071 20 0 FGADHM Cc1sc(CC[N-]S(=O)(=O)c2ccccn2)nc1-c1ccccc1 ZINC000131820188 494741579 /nfs/dbraw/zinc/74/15/79/494741579.db2.gz XXYWPBREOKUGDO-UHFFFAOYSA-N -1 3 359.476 3.035 20 0 FGADHM CC[C@H](C)C[C@H](C)NC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000080685317 494766872 /nfs/dbraw/zinc/76/68/72/494766872.db2.gz FJQKYCSBMPYACP-KBPBESRZSA-N -1 3 356.470 3.014 20 0 FGADHM Cc1ccc(Cc2nc(C(=O)[N-]c3nc4ccc(F)cn4n3)cs2)cc1 ZINC000092869322 494777851 /nfs/dbraw/zinc/77/78/51/494777851.db2.gz JOYCLJKJZOJBFU-UHFFFAOYSA-N -1 3 367.409 3.476 20 0 FGADHM COc1cccc2c(NCCNC(=O)c3ccc([O-])cc3)cc(C)nc12 ZINC000121502004 494783714 /nfs/dbraw/zinc/78/37/14/494783714.db2.gz BIGRKTQUYBZZHS-UHFFFAOYSA-N -1 3 351.406 3.099 20 0 FGADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@@H]3C[C@H]3C)c2)cc1 ZINC000075528823 494785453 /nfs/dbraw/zinc/78/54/53/494785453.db2.gz RLEWNVDRBXIMAU-RDTXWAMCSA-N -1 3 358.463 3.242 20 0 FGADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N(CCO)Cc1cccnc1 ZINC000092927002 494788967 /nfs/dbraw/zinc/78/89/67/494788967.db2.gz GLWFAHWPDITXPX-UHFFFAOYSA-N -1 3 362.429 3.013 20 0 FGADHM CN(CC1CC1)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000047905081 494791038 /nfs/dbraw/zinc/79/10/38/494791038.db2.gz XONDHLOHCQGWHZ-UHFFFAOYSA-N -1 3 362.426 3.109 20 0 FGADHM O=C(c1cccc([O-])c1)N1CCN(Cc2ccccc2OCC2CC2)CC1 ZINC000092937762 494791455 /nfs/dbraw/zinc/79/14/55/494791455.db2.gz KUPHSOWSKZTMBL-UHFFFAOYSA-N -1 3 366.461 3.139 20 0 FGADHM COc1cccc(Cl)c1CN1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000092937618 494792262 /nfs/dbraw/zinc/79/22/62/494792262.db2.gz DVSZZYLQXAQSSJ-UHFFFAOYSA-N -1 3 360.841 3.012 20 0 FGADHM Cc1cc(C)n(-c2ccc([C@H](C)NC(=O)c3c([O-])cccc3O)cc2)n1 ZINC000092123126 494797350 /nfs/dbraw/zinc/79/73/50/494797350.db2.gz XIZTTYJDBRZJMR-AWEZNQCLSA-N -1 3 351.406 3.391 20 0 FGADHM C[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2c([O-])cccc2O)CC1 ZINC000092123223 494797516 /nfs/dbraw/zinc/79/75/16/494797516.db2.gz IKJQCJXCBBIJKJ-CYBMUJFWSA-N -1 3 360.841 3.270 20 0 FGADHM CCOc1ccccc1OC1CCN([C@@H](C)C(=O)[N-]c2cc(C)no2)CC1 ZINC000108973900 494814073 /nfs/dbraw/zinc/81/40/73/494814073.db2.gz DNIDNXGEKRROJV-HNNXBMFYSA-N -1 3 373.453 3.252 20 0 FGADHM Cc1ccc(-c2nc(CC[N-]S(=O)(=O)c3ccccc3F)co2)cc1 ZINC000116609096 494824229 /nfs/dbraw/zinc/82/42/29/494824229.db2.gz NPGYEORQAJJMNQ-UHFFFAOYSA-N -1 3 360.410 3.310 20 0 FGADHM O=C(CCCC1CCCCC1)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000116617614 494826268 /nfs/dbraw/zinc/82/62/68/494826268.db2.gz CTLBZKYXRQFTEH-UHFFFAOYSA-N -1 3 358.482 3.427 20 0 FGADHM COCCOc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2F)cc1 ZINC000026528934 494830180 /nfs/dbraw/zinc/83/01/80/494830180.db2.gz RNCBPQPCGRLSSE-UHFFFAOYSA-N -1 3 359.806 3.305 20 0 FGADHM COc1ccc(C(=O)NCc2cccc(NC(=O)CC(C)C)c2)c([O-])c1 ZINC000109159941 494839805 /nfs/dbraw/zinc/83/98/05/494839805.db2.gz AWVIQKSSCNEUJI-UHFFFAOYSA-N -1 3 356.422 3.315 20 0 FGADHM Cc1ccccc1NC(=O)[C@H]1CSCN1C(=O)c1cccc(C)c1[O-] ZINC000109215000 494847710 /nfs/dbraw/zinc/84/77/10/494847710.db2.gz GMWOKODXFISAFH-MRXNPFEDSA-N -1 3 356.447 3.163 20 0 FGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]C[C@H]3CCC[C@H](O)C3)s2)cs1 ZINC000121758366 494853955 /nfs/dbraw/zinc/85/39/55/494853955.db2.gz SUKVYPCQBKKQNM-RYUDHWBXSA-N -1 3 372.537 3.009 20 0 FGADHM CCC(C)(C)NC(=O)CSc1n[n-]c(COc2ccc(Cl)cc2)n1 ZINC000027334557 494861779 /nfs/dbraw/zinc/86/17/79/494861779.db2.gz DYJULVRZQFWHRV-UHFFFAOYSA-N -1 3 368.890 3.434 20 0 FGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)[C@H]1SCCc2ccccc21 ZINC000093316072 494867766 /nfs/dbraw/zinc/86/77/66/494867766.db2.gz DPBSWTJBFUICDG-HNNXBMFYSA-N -1 3 360.435 3.383 20 0 FGADHM COc1ccc(C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)c([O-])c1 ZINC000027627748 494877743 /nfs/dbraw/zinc/87/77/43/494877743.db2.gz CCBKXJJHWVFEBE-UHFFFAOYSA-N -1 3 360.841 3.325 20 0 FGADHM Cc1cc(Cl)cc(NC(=O)C[C@@H](NC(N)=O)c2ccccc2C)c1[O-] ZINC000116978965 494878405 /nfs/dbraw/zinc/87/84/05/494878405.db2.gz INILOHHKUAZFKG-CQSZACIVSA-N -1 3 361.829 3.401 20 0 FGADHM Cc1cc(Cl)cc(NC(=O)CNC(=O)c2ccc(F)c(F)c2)c1[O-] ZINC000116980577 494879225 /nfs/dbraw/zinc/87/92/25/494879225.db2.gz AWIDVOPYNXFQHC-UHFFFAOYSA-N -1 3 354.740 3.001 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1)c1nc(-c2ccsc2)no1 ZINC000109476330 494880266 /nfs/dbraw/zinc/88/02/66/494880266.db2.gz XZIOBFYGOXIMQJ-SECBINFHSA-N -1 3 369.855 3.491 20 0 FGADHM Cc1nc(C)c(Cc2nc(-c3c(Cl)cccc3Cl)no2)c(=O)[n-]1 ZINC000109487241 494881062 /nfs/dbraw/zinc/88/10/62/494881062.db2.gz IUAYXTYUZZUYLV-UHFFFAOYSA-N -1 3 351.193 3.334 20 0 FGADHM O=C(CSc1n[n-]c(-c2ccccn2)n1)N1CCC[C@H]2CCCC[C@H]21 ZINC000117113633 494891670 /nfs/dbraw/zinc/89/16/70/494891670.db2.gz KCTXMQWLTWGNMX-UKRRQHHQSA-N -1 3 357.483 3.140 20 0 FGADHM CC[C@H](Sc1n[n-]c(-c2ccccn2)n1)C(=O)NCc1ccccc1 ZINC000117115241 494893313 /nfs/dbraw/zinc/89/33/13/494893313.db2.gz NMTCRJDXODNFDA-HNNXBMFYSA-N -1 3 353.451 3.054 20 0 FGADHM Cc1nc(NC(=O)[C@H](C)Sc2n[n-]c(-c3ccccn3)n2)sc1C ZINC000117114550 494893495 /nfs/dbraw/zinc/89/34/95/494893495.db2.gz CIYNGUFETKYACB-JTQLQIEISA-N -1 3 360.468 3.059 20 0 FGADHM COc1cccc(CO[C@H](C)C(=O)Nc2n[n-]c(-c3ccccc3F)n2)c1 ZINC000109624920 494898341 /nfs/dbraw/zinc/89/83/41/494898341.db2.gz MDEDPPYBQPDLCB-GFCCVEGCSA-N -1 3 370.384 3.163 20 0 FGADHM CN(Cc1ccn(C)c1)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000127184792 494906266 /nfs/dbraw/zinc/90/62/66/494906266.db2.gz AIOMLXYJLVDQSD-UHFFFAOYSA-N -1 3 369.490 3.458 20 0 FGADHM CCCCOCCC[N-]S(=O)(=O)c1cc(C)c(Br)s1 ZINC000122042021 494914436 /nfs/dbraw/zinc/91/44/36/494914436.db2.gz NSIZYMGVGUTDMW-UHFFFAOYSA-N -1 3 370.334 3.304 20 0 FGADHM Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)c2cnc3c(cnn3C)c2[O-])C1 ZINC000132741480 494916875 /nfs/dbraw/zinc/91/68/75/494916875.db2.gz UYEQSBIYFHUPRW-KGLIPLIRSA-N -1 3 350.422 3.001 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N(Cc2ccco2)CC(F)(F)F)c1 ZINC000122078942 494920551 /nfs/dbraw/zinc/92/05/51/494920551.db2.gz HGNSYMFRYFYUGN-UHFFFAOYSA-N -1 3 356.300 3.148 20 0 FGADHM Cc1ccc([N-]S(=O)(=O)c2ccccc2Cl)c(OCCN(C)C)c1 ZINC000127399174 494938918 /nfs/dbraw/zinc/93/89/18/494938918.db2.gz DZCZUNUHFNMPGH-UHFFFAOYSA-N -1 3 368.886 3.390 20 0 FGADHM O=S(=O)([N-]CCNCc1cc(Cl)cc(Cl)c1)c1cccs1 ZINC000122275994 494950437 /nfs/dbraw/zinc/95/04/37/494950437.db2.gz MMUVWPBXHCCELQ-UHFFFAOYSA-N -1 3 365.307 3.123 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]c2cccc([S@](C)=O)c2)ccc1OC(C)C ZINC000117739132 494951210 /nfs/dbraw/zinc/95/12/10/494951210.db2.gz GZCPHSVQXMMCOG-HSZRJFAPSA-N -1 3 367.492 3.320 20 0 FGADHM CCCCCN(C(=O)C[N-]S(=O)(=O)c1cccs1)[C@@H](C)CCC ZINC000110146630 494952675 /nfs/dbraw/zinc/95/26/75/494952675.db2.gz VUHSCWKTTZYIGR-AWEZNQCLSA-N -1 3 360.545 3.234 20 0 FGADHM COc1ccccc1CC(C)(C)NC(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000122296494 494954240 /nfs/dbraw/zinc/95/42/40/494954240.db2.gz XUHSMOXRSKDFAD-UHFFFAOYSA-N -1 3 356.422 3.110 20 0 FGADHM Cc1cc2c[nH]nc2cc1NC(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000133074046 494964522 /nfs/dbraw/zinc/96/45/22/494964522.db2.gz MAZHVTFFFQGYOH-UHFFFAOYSA-N -1 3 350.353 3.413 20 0 FGADHM Cc1nc(C)c(CCC(=O)Nc2cccc(NC3CCCC3)c2)c(=O)[n-]1 ZINC000117978041 494967519 /nfs/dbraw/zinc/96/75/19/494967519.db2.gz BLIMZGUHRSOQJC-UHFFFAOYSA-N -1 3 354.454 3.313 20 0 FGADHM Cc1cccc2[nH]c(C[N-]S(=O)(=O)c3c(F)cccc3Cl)nc21 ZINC000133208005 494984667 /nfs/dbraw/zinc/98/46/67/494984667.db2.gz ISDOZWKOKDLQLZ-UHFFFAOYSA-N -1 3 353.806 3.142 20 0 FGADHM Cc1cccc2nc(C[N-]S(=O)(=O)c3c(F)cccc3Cl)[nH]c21 ZINC000133208005 494984671 /nfs/dbraw/zinc/98/46/71/494984671.db2.gz ISDOZWKOKDLQLZ-UHFFFAOYSA-N -1 3 353.806 3.142 20 0 FGADHM CCCOc1ccc(NC(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)cc1 ZINC000122528836 494988543 /nfs/dbraw/zinc/98/85/43/494988543.db2.gz CIZGFRJWKKNCIL-UHFFFAOYSA-N -1 3 366.414 3.238 20 0 FGADHM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-][C@@H](C)[C@@H](C)c1ccccc1 ZINC000133241900 494989085 /nfs/dbraw/zinc/98/90/85/494989085.db2.gz FUCJMDWMHWCYKN-OLZOCXBDSA-N -1 3 365.426 3.083 20 0 FGADHM C[C@H](Sc1ccc(Cl)cn1)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000127857618 495008847 /nfs/dbraw/zinc/00/88/47/495008847.db2.gz WZNSCELICZMFBD-JTQLQIEISA-N -1 3 370.883 3.470 20 0 FGADHM COc1cccc(C(C)(C)CNC(=O)c2c[n-]c3ccccc3c2=O)c1 ZINC000122715424 495020298 /nfs/dbraw/zinc/02/02/98/495020298.db2.gz RKQRZXMIBCMCLW-UHFFFAOYSA-N -1 3 350.418 3.244 20 0 FGADHM CCOC(=O)c1c(C(C)C)csc1[N-]C(=O)C(=O)N(C)CCC1CC1 ZINC000133548421 495027313 /nfs/dbraw/zinc/02/73/13/495027313.db2.gz QQCDNGBKWDXAQA-UHFFFAOYSA-N -1 3 366.483 3.245 20 0 FGADHM O=C(NCc1cccc2ccccc21)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000097477177 495036729 /nfs/dbraw/zinc/03/67/29/495036729.db2.gz XHGUMJIGIVRRSE-HXUWFJFHSA-N -1 3 374.440 3.466 20 0 FGADHM Cc1ccc(Cc2nc(C(=O)Nc3nnc(C(F)(F)F)[n-]3)cs2)cc1 ZINC000133743324 495055582 /nfs/dbraw/zinc/05/55/82/495055582.db2.gz ZSBUHTRNZIOWKY-UHFFFAOYSA-N -1 3 367.356 3.432 20 0 FGADHM Cc1ccc(Cc2nc(C(=O)Nc3nc(C(F)(F)F)n[n-]3)cs2)cc1 ZINC000133743324 495055586 /nfs/dbraw/zinc/05/55/86/495055586.db2.gz ZSBUHTRNZIOWKY-UHFFFAOYSA-N -1 3 367.356 3.432 20 0 FGADHM Cc1ccccc1CS(=O)(=O)[N-][C@@H](COCC(C)C)c1ccco1 ZINC000111336173 495066004 /nfs/dbraw/zinc/06/60/04/495066004.db2.gz QAIDYXGKTPZVQN-KRWDZBQOSA-N -1 3 351.468 3.421 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1)c1noc(-c2ccccc2)n1 ZINC000128254844 495067841 /nfs/dbraw/zinc/06/78/41/495067841.db2.gz LWQOZWVWPKCBLV-LLVKDONJSA-N -1 3 363.826 3.430 20 0 FGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C[C@@H]2CC[C@@H](C)C2)cc1OC ZINC000123043882 495072419 /nfs/dbraw/zinc/07/24/19/495072419.db2.gz RSSJCTXKOQYURH-CHWSQXEVSA-N -1 3 354.472 3.222 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H]2C[C@@H](O)c2cccs2)c1 ZINC000123112806 495082454 /nfs/dbraw/zinc/08/24/54/495082454.db2.gz DLXZFHMCHFHEEK-RHSMWYFYSA-N -1 3 374.462 3.140 20 0 FGADHM Cc1nc(C)c(CCC(=O)N2C[C@@H]3CCCC[C@@]32c2ccccc2)c(=O)[n-]1 ZINC000119074586 495086108 /nfs/dbraw/zinc/08/61/08/495086108.db2.gz OVQIJGYSAJZPTC-PGRDOPGGSA-N -1 3 365.477 3.247 20 0 FGADHM Cc1ccc([O-])c(C(=O)N2CCC[C@@H](C3N=NC(=S)N3C(C)C)C2)c1 ZINC000111657734 495092431 /nfs/dbraw/zinc/09/24/31/495092431.db2.gz CHKOFJRPNXWUBG-CYBMUJFWSA-N -1 3 360.483 3.182 20 0 FGADHM Cc1ccc(C(=O)N2CCC[C@H](C3N=NC(=S)N3C(C)C)C2)c([O-])c1 ZINC000111657766 495092696 /nfs/dbraw/zinc/09/26/96/495092696.db2.gz ZGHUTBJYLKCPNK-ZDUSSCGKSA-N -1 3 360.483 3.182 20 0 FGADHM COc1ccc([O-])c(C(=O)Nc2ccc(-c3n[nH]c(C4CC4)n3)cc2)c1 ZINC000101843206 495102856 /nfs/dbraw/zinc/10/28/56/495102856.db2.gz DKBKGRPRRJOGAD-UHFFFAOYSA-N -1 3 350.378 3.316 20 0 FGADHM O=C(Nc1ncccc1[O-])c1ccc(I)cc1Cl ZINC000102783287 495161402 /nfs/dbraw/zinc/16/14/02/495161402.db2.gz KQQBCCSZQHQWLN-UHFFFAOYSA-N -1 3 374.565 3.298 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N3CCCC[C@@H]3c3ncc[nH]3)c[n-]c12 ZINC000128580794 495119215 /nfs/dbraw/zinc/11/92/15/495119215.db2.gz IFZCKWDUIZZUCT-OAHLLOKOSA-N -1 3 354.385 3.066 20 0 FGADHM CC[C@H](C)[C@@](C)(O)C[N-]S(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000119244810 495126176 /nfs/dbraw/zinc/12/61/76/495126176.db2.gz NBOINJDFSLWOAH-XPTSAGLGSA-N -1 3 370.298 3.077 20 0 FGADHM COc1cc(C(=O)NCc2ccc(-c3csc(C)n3)o2)cc(OC)c1[O-] ZINC000123437374 495131944 /nfs/dbraw/zinc/13/19/44/495131944.db2.gz CLSHHMXIKKNMTH-UHFFFAOYSA-N -1 3 374.418 3.364 20 0 FGADHM Cc1cc(C)c(C(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)[nH]1 ZINC000128673636 495133181 /nfs/dbraw/zinc/13/31/81/495133181.db2.gz AMRFGMJUMVPCAN-UHFFFAOYSA-N -1 3 367.446 3.100 20 0 FGADHM Cn1ncc2c1ncc(C(=O)N1CC=C(c3ccc(Cl)cc3)CC1)c2[O-] ZINC000119326434 495142913 /nfs/dbraw/zinc/14/29/13/495142913.db2.gz RNRAUSBZCPMANV-UHFFFAOYSA-N -1 3 368.824 3.257 20 0 FGADHM Cc1ccc(C(C)C)c(OCC(=O)[N-]c2ncnn2-c2ccccc2)c1 ZINC000580455934 505763676 /nfs/dbraw/zinc/76/36/76/505763676.db2.gz HZUAMNPRWJODND-UHFFFAOYSA-N -1 3 350.422 3.139 20 0 FGADHM CCOCCCn1c([N-]C(=O)C(=O)Nc2ccccc2)nc2ccccc21 ZINC000102757775 495159705 /nfs/dbraw/zinc/15/97/05/495159705.db2.gz AWHLIXBLAWGZDZ-UHFFFAOYSA-N -1 3 366.421 3.040 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1Br ZINC000123623842 495161511 /nfs/dbraw/zinc/16/15/11/495161511.db2.gz VIWUHLSXWPCNKY-UHFFFAOYSA-N -1 3 362.162 3.021 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1Br ZINC000123623842 495161514 /nfs/dbraw/zinc/16/15/14/495161514.db2.gz VIWUHLSXWPCNKY-UHFFFAOYSA-N -1 3 362.162 3.021 20 0 FGADHM Cc1cccc(C(=O)N(Cc2ccccc2)[C@H](C)CN2CCOCC2)c1[O-] ZINC000102860355 495167951 /nfs/dbraw/zinc/16/79/51/495167951.db2.gz NPCSGVCIFFAOGQ-GOSISDBHSA-N -1 3 368.477 3.064 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H](C)C[C@H](O)c3cccs3)nc2)n1 ZINC000128941029 495171945 /nfs/dbraw/zinc/17/19/45/495171945.db2.gz UXBLZZRTKYQMCS-DOMZBBRYSA-N -1 3 370.478 3.380 20 0 FGADHM COC(=O)c1cccc(S(=O)(=O)[N-][C@@H](c2ccccc2)C(F)(F)F)c1 ZINC000119537545 495185832 /nfs/dbraw/zinc/18/58/32/495185832.db2.gz RTJQMSLDSXJBCE-AWEZNQCLSA-N -1 3 373.352 3.055 20 0 FGADHM COc1ccccc1CC(C)(C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000112627558 495213225 /nfs/dbraw/zinc/21/32/25/495213225.db2.gz OUYHIZQPLVNQSK-UHFFFAOYSA-N -1 3 351.410 3.083 20 0 FGADHM COc1ccccc1CC(C)(C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000112627558 495213228 /nfs/dbraw/zinc/21/32/28/495213228.db2.gz OUYHIZQPLVNQSK-UHFFFAOYSA-N -1 3 351.410 3.083 20 0 FGADHM Cc1cc(N2CCN(C(=O)c3cccc([O-])c3)CC2)c2cc(F)ccc2n1 ZINC000124009724 495220520 /nfs/dbraw/zinc/22/05/20/495220520.db2.gz JRBGRHVVAUFRQD-UHFFFAOYSA-N -1 3 365.408 3.350 20 0 FGADHM CC(C)(CO)[C@H](C[N-]S(=O)(=O)c1cc(F)cc(F)c1)c1ccccc1 ZINC000129356342 495232941 /nfs/dbraw/zinc/23/29/41/495232941.db2.gz RBBMCYGZYHGXJE-QGZVFWFLSA-N -1 3 369.433 3.045 20 0 FGADHM COC(=O)CN(Cc1nc(=O)c2cc(-c3ccccc3)sc2[n-]1)C(C)C ZINC000103469925 495237634 /nfs/dbraw/zinc/23/76/34/495237634.db2.gz GWOGCOWLTIVAEY-UHFFFAOYSA-N -1 3 371.462 3.035 20 0 FGADHM Cc1c(Br)cccc1C(=O)Nc1cc(-c2nccn2C)[n-]n1 ZINC000119792925 495242236 /nfs/dbraw/zinc/24/22/36/495242236.db2.gz VWQXSBRGDMABJT-UHFFFAOYSA-N -1 3 360.215 3.133 20 0 FGADHM Cc1c(Br)cccc1C(=O)Nc1cc(-c2nccn2C)n[n-]1 ZINC000119792925 495242240 /nfs/dbraw/zinc/24/22/40/495242240.db2.gz VWQXSBRGDMABJT-UHFFFAOYSA-N -1 3 360.215 3.133 20 0 FGADHM O=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1cccc([O-])c1F ZINC000129447497 495246373 /nfs/dbraw/zinc/24/63/73/495246373.db2.gz OKRJRAYIDPKDTL-UHFFFAOYSA-N -1 3 360.429 3.193 20 0 FGADHM O=C(c1ccccc1[O-])N1CCC[C@@H]1C(=O)N1CC[C@H](c2ccccc2)C1 ZINC000124185151 495247270 /nfs/dbraw/zinc/24/72/70/495247270.db2.gz FGFMHASNOSWDHJ-PKOBYXMFSA-N -1 3 364.445 3.013 20 0 FGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC000112863147 495249111 /nfs/dbraw/zinc/24/91/11/495249111.db2.gz NYCQVZDIEXOPIK-QWHCGFSZSA-N -1 3 366.389 3.079 20 0 FGADHM O=C(CCn1cncn1)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000129509770 495255581 /nfs/dbraw/zinc/25/55/81/495255581.db2.gz BAJHZHWFBXSEMZ-UHFFFAOYSA-N -1 3 365.418 3.289 20 0 FGADHM COC(=O)c1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2C)c(F)c1 ZINC000103943554 495261274 /nfs/dbraw/zinc/26/12/74/495261274.db2.gz SIBGYIJCXZTUPT-UHFFFAOYSA-N -1 3 357.790 3.375 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1csc(Cc2ccccc2)n1 ZINC000104366202 495280384 /nfs/dbraw/zinc/28/03/84/495280384.db2.gz SSHYJJDWPJYYSG-UHFFFAOYSA-N -1 3 362.418 3.166 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1csc(Cc2ccccc2)n1 ZINC000104366202 495280388 /nfs/dbraw/zinc/28/03/88/495280388.db2.gz SSHYJJDWPJYYSG-UHFFFAOYSA-N -1 3 362.418 3.166 20 0 FGADHM CCN(c1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1)C(C)C ZINC000104367475 495280563 /nfs/dbraw/zinc/28/05/63/495280563.db2.gz GSQCPXKIAMCTOR-UHFFFAOYSA-N -1 3 350.426 3.354 20 0 FGADHM CCN(c1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1)C(C)C ZINC000104367475 495280566 /nfs/dbraw/zinc/28/05/66/495280566.db2.gz GSQCPXKIAMCTOR-UHFFFAOYSA-N -1 3 350.426 3.354 20 0 FGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H](C)[C@H](C)c1ccccc1 ZINC000124423794 495285078 /nfs/dbraw/zinc/28/50/78/495285078.db2.gz CXKAEVDOSHTYEP-QWHCGFSZSA-N -1 3 365.426 3.083 20 0 FGADHM O=C([N-]c1nccs1)c1nnn(-c2ccc(F)cc2)c1C(F)(F)F ZINC000129763389 495292200 /nfs/dbraw/zinc/29/22/00/495292200.db2.gz CZBYNZGIYCQUQD-UHFFFAOYSA-N -1 3 357.292 3.134 20 0 FGADHM O=S(=O)([N-]CCNc1cc2ccccc2c(Cl)n1)c1cccs1 ZINC000120035689 495293259 /nfs/dbraw/zinc/29/32/59/495293259.db2.gz ZHRJNQRCWOPGJM-UHFFFAOYSA-N -1 3 367.883 3.340 20 0 FGADHM Cc1ccc(Cl)c(NC(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)c1 ZINC000124485132 495294884 /nfs/dbraw/zinc/29/48/84/495294884.db2.gz VTUUJGUJAWQYQG-UHFFFAOYSA-N -1 3 356.806 3.411 20 0 FGADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2C)cc1Cl ZINC000104732394 495301879 /nfs/dbraw/zinc/30/18/79/495301879.db2.gz DIJYIVLKFMTMTA-NOZJJQNGSA-N -1 3 362.854 3.295 20 0 FGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]Cc3cscn3)s2)cs1 ZINC000120082614 495303651 /nfs/dbraw/zinc/30/36/51/495303651.db2.gz YBWVUDRGJYKEPR-UHFFFAOYSA-N -1 3 357.507 3.115 20 0 FGADHM CC(C)(C)c1ccccc1OCC(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000135557943 495310909 /nfs/dbraw/zinc/31/09/09/495310909.db2.gz RYWJQQGFNNUJSP-UHFFFAOYSA-N -1 3 365.437 3.106 20 0 FGADHM CC(C)(C)c1ccccc1OCC(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000135557943 495310910 /nfs/dbraw/zinc/31/09/10/495310910.db2.gz RYWJQQGFNNUJSP-UHFFFAOYSA-N -1 3 365.437 3.106 20 0 FGADHM O=C([O-])C1CCN(C(=O)CN2CCC[C@@H](CCCc3ccccc3)C2)CC1 ZINC000568771763 505774342 /nfs/dbraw/zinc/77/43/42/505774342.db2.gz DUEJFWJLZPHWKR-LJQANCHMSA-N -1 3 372.509 3.045 20 0 FGADHM COc1ccc(CN(C(=O)c2ccc3n[n-]nc3c2)[C@@H](C)C2CC2)cc1 ZINC000577681827 505774397 /nfs/dbraw/zinc/77/43/97/505774397.db2.gz CXCWSWOSRMFPMK-ZDUSSCGKSA-N -1 3 350.422 3.407 20 0 FGADHM CC(C)C[N@H+]1CCC[C@H](C[N-]S(=O)(=O)c2cc3ccccc3o2)C1 ZINC000120187794 495324458 /nfs/dbraw/zinc/32/44/58/495324458.db2.gz 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ZINC000135912190 495343020 /nfs/dbraw/zinc/34/30/20/495343020.db2.gz KHKKAVNMUGZHLJ-NSHDSACASA-N -1 3 356.357 3.142 20 0 FGADHM CCOC(=O)c1ccc(NC(=O)c2ccc(-n3cccn3)cc2)c([O-])c1 ZINC000124787654 495343385 /nfs/dbraw/zinc/34/33/85/495343385.db2.gz HKJDJKFFPCDKHM-UHFFFAOYSA-N -1 3 351.362 3.007 20 0 FGADHM CCOc1cc(C)ccc1NC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000124867898 495356298 /nfs/dbraw/zinc/35/62/98/495356298.db2.gz QPVTVWCMYVXUOM-UHFFFAOYSA-N -1 3 366.414 3.157 20 0 FGADHM O=C(Cc1ccc([O-])cc1Cl)NCCc1cnn(-c2ccccc2)c1 ZINC000136110936 495356935 /nfs/dbraw/zinc/35/69/35/495356935.db2.gz PJQBXRJVBRADLX-UHFFFAOYSA-N -1 3 355.825 3.133 20 0 FGADHM COc1cccc(N2CCC[C@H](NC(=O)Cc3ccc([O-])cc3Cl)C2)c1 ZINC000136286975 495369591 /nfs/dbraw/zinc/36/95/91/495369591.db2.gz LLXFRSHGNOOHED-HNNXBMFYSA-N -1 3 374.868 3.382 20 0 FGADHM Cc1cccc(N2CCC(NC(=O)Cc3ccc([O-])cc3Cl)CC2)n1 ZINC000136285156 495369645 /nfs/dbraw/zinc/36/96/45/495369645.db2.gz ZGCLOALWPSCVAV-UHFFFAOYSA-N -1 3 359.857 3.077 20 0 FGADHM CN(Cc1ccc(C(=O)[O-])c(Cl)c1)C[C@@H](O)COCc1ccccc1 ZINC000574458322 505777788 /nfs/dbraw/zinc/77/77/88/505777788.db2.gz DJGBCQFCQVJYSP-MRXNPFEDSA-N -1 3 363.841 3.048 20 0 FGADHM Cc1ccn2ncc(C(=O)[N-]c3n[nH]c(-c4cccc5ccccc54)n3)c2n1 ZINC000114537438 495390170 /nfs/dbraw/zinc/39/01/70/495390170.db2.gz WMYOWXAQXZAETG-UHFFFAOYSA-N -1 3 369.388 3.228 20 0 FGADHM O=C(CCc1ccccc1Br)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000130456101 495394174 /nfs/dbraw/zinc/39/41/74/495394174.db2.gz JFYMYRFNEBVADU-UHFFFAOYSA-N -1 3 372.226 3.201 20 0 FGADHM O=C(CCc1ccccc1Br)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000130456101 495394178 /nfs/dbraw/zinc/39/41/78/495394178.db2.gz JFYMYRFNEBVADU-UHFFFAOYSA-N -1 3 372.226 3.201 20 0 FGADHM Cc1ccsc1[C@H](CO)[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000125245916 495412455 /nfs/dbraw/zinc/41/24/55/495412455.db2.gz GXHNWYZEXWNYJO-LBPRGKRZSA-N -1 3 365.398 3.087 20 0 FGADHM Cc1ccsc1[C@@H](CO)[N-]S(=O)(=O)c1ccccc1C(C)(C)C ZINC000125272297 495416913 /nfs/dbraw/zinc/41/69/13/495416913.db2.gz PNHXWQPMUDPSMY-CQSZACIVSA-N -1 3 353.509 3.366 20 0 FGADHM O=C(CNC(=O)CC1CCCCC1)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000125361555 495431977 /nfs/dbraw/zinc/43/19/77/495431977.db2.gz HXFGGXTYZCFMNO-UHFFFAOYSA-N -1 3 358.360 3.436 20 0 FGADHM Cc1nc(C)c(CCC(=O)N2CC(C)(C)Sc3ccccc32)c(=O)[n-]1 ZINC000120703271 495438981 /nfs/dbraw/zinc/43/89/81/495438981.db2.gz IIMOWZIEXLJODI-UHFFFAOYSA-N -1 3 357.479 3.237 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1)c1nccs1 ZINC000106238496 495439164 /nfs/dbraw/zinc/43/91/64/495439164.db2.gz CBJWYUGOZWCOGT-QMMMGPOBSA-N -1 3 352.359 3.081 20 0 FGADHM Cc1c(Br)cccc1S(=O)(=O)[N-][C@H](C1CC1)C(F)(F)F ZINC000574480487 505782504 /nfs/dbraw/zinc/78/25/04/505782504.db2.gz ZARHVFDZTYKJEW-LLVKDONJSA-N -1 3 372.206 3.377 20 0 FGADHM O=S(=O)([N-]C[C@@H](CO)c1ccccc1)c1cccc(Cl)c1Cl ZINC000125467388 495449191 /nfs/dbraw/zinc/44/91/91/495449191.db2.gz PYZHTNZSFDTQAU-LBPRGKRZSA-N -1 3 360.262 3.048 20 0 FGADHM COc1cc(C)cc(C(=O)Nc2nc(CN3CCCCC3)cs2)c1[O-] ZINC000106456106 495457048 /nfs/dbraw/zinc/45/70/48/495457048.db2.gz AMKLBWJQJFNPAV-UHFFFAOYSA-N -1 3 361.467 3.404 20 0 FGADHM CC(C)C[C@H]1CCCCN1C(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000138352316 495459712 /nfs/dbraw/zinc/45/97/12/495459712.db2.gz CKZZJGFAVOBGCA-CQSZACIVSA-N -1 3 356.463 3.238 20 0 FGADHM O=C(c1c([O-])cccc1O)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000125585479 495467330 /nfs/dbraw/zinc/46/73/30/495467330.db2.gz RLRIDNHOLRVQTA-UHFFFAOYSA-N -1 3 362.429 3.209 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000130954732 495470911 /nfs/dbraw/zinc/47/09/11/495470911.db2.gz KHDMWWDWRMQKTQ-VXGBXAGGSA-N -1 3 357.776 3.401 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000130954732 495470917 /nfs/dbraw/zinc/47/09/17/495470917.db2.gz KHDMWWDWRMQKTQ-VXGBXAGGSA-N -1 3 357.776 3.401 20 0 FGADHM CCOC(=O)c1sc2[n-]c(Cc3ccc(C)c(OC)c3)nc(=O)c2c1C ZINC000120863539 495474375 /nfs/dbraw/zinc/47/43/75/495474375.db2.gz VAAXBDNAGWQFRB-UHFFFAOYSA-N -1 3 372.446 3.378 20 0 FGADHM COc1cccc(C(=O)Nc2nnc(Cc3ccc(F)cc3)s2)c1[O-] ZINC000106704478 495487228 /nfs/dbraw/zinc/48/72/28/495487228.db2.gz KSBLIXAVOARPGP-UHFFFAOYSA-N -1 3 359.382 3.235 20 0 FGADHM CCc1noc(C)c1[N-]C(=O)c1nnn(-c2ccc3ncccc3c2)c1C ZINC000120948561 495490760 /nfs/dbraw/zinc/49/07/60/495490760.db2.gz ZRRSJHYKVVDBKT-UHFFFAOYSA-N -1 3 362.393 3.235 20 0 FGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2CCC[C@@H]2C(C)C)cc1OC ZINC000140407772 495494716 /nfs/dbraw/zinc/49/47/16/495494716.db2.gz PHDNAYNANDTEJS-OAHLLOKOSA-N -1 3 369.487 3.109 20 0 FGADHM Cc1cnc(C[N-]S(=O)(=O)c2ccc(-c3csc(C)n3)s2)s1 ZINC000121001899 495500626 /nfs/dbraw/zinc/50/06/26/495500626.db2.gz QAZANLBRXJWNCE-UHFFFAOYSA-N -1 3 371.534 3.423 20 0 FGADHM C[C@@H](c1ccc(C(F)(F)F)cc1)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC000580561161 505786707 /nfs/dbraw/zinc/78/67/07/505786707.db2.gz NLRCRLCKLPCESO-SMDDNHRTSA-N -1 3 368.359 3.393 20 0 FGADHM CC[C@H](C)C[C@H]([N-]S(=O)(=O)Cc1ccc(C(F)F)cc1)C(=O)OC ZINC000571675407 505787966 /nfs/dbraw/zinc/78/79/66/505787966.db2.gz VGBBRSADCPKQOP-FZMZJTMJSA-N -1 3 363.426 3.021 20 0 FGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)Nc1cccc(C(F)F)c1 ZINC000170635979 495540641 /nfs/dbraw/zinc/54/06/41/495540641.db2.gz WRFRSOFATYSZSK-UHFFFAOYSA-N -1 3 370.359 3.259 20 0 FGADHM CCCC[C@@H](CCC)CNC(=O)c1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000158600641 495548152 /nfs/dbraw/zinc/54/81/52/495548152.db2.gz SEYRSKZFSHLZBC-JLTOFOAXSA-N -1 3 359.470 3.078 20 0 FGADHM CC(=O)N1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C(C)(C)C1 ZINC000182411891 495553650 /nfs/dbraw/zinc/55/36/50/495553650.db2.gz FQTZWBKGPSDBSD-UHFFFAOYSA-N -1 3 366.461 3.066 20 0 FGADHM COc1cccc(CS(=O)(=O)[N-][C@@H](c2ncc(C)s2)C2CC2)c1 ZINC000173490637 495554892 /nfs/dbraw/zinc/55/48/92/495554892.db2.gz KAWXDELYPLTRQC-OAHLLOKOSA-N -1 3 352.481 3.031 20 0 FGADHM CCCCN(C)c1ccc(NC(=O)c2c(C)[n-]c(=O)nc2SC)cc1 ZINC000176255280 495566485 /nfs/dbraw/zinc/56/64/85/495566485.db2.gz SUGRHRMWMAMVSM-UHFFFAOYSA-N -1 3 360.483 3.289 20 0 FGADHM COc1nnc(NC(=O)[C@@H]2CC=CC[C@@H]2c2nc3ccccc3s2)[n-]1 ZINC000179377117 495566755 /nfs/dbraw/zinc/56/67/55/495566755.db2.gz GUALEFROZRBVAY-MNOVXSKESA-N -1 3 355.423 3.112 20 0 FGADHM COc1nc(NC(=O)[C@@H]2CC=CC[C@@H]2c2nc3ccccc3s2)n[n-]1 ZINC000179377117 495566759 /nfs/dbraw/zinc/56/67/59/495566759.db2.gz GUALEFROZRBVAY-MNOVXSKESA-N -1 3 355.423 3.112 20 0 FGADHM COc1n[n-]c(NC(=O)[C@@H]2CC=CC[C@@H]2c2nc3ccccc3s2)n1 ZINC000179377117 495566762 /nfs/dbraw/zinc/56/67/62/495566762.db2.gz GUALEFROZRBVAY-MNOVXSKESA-N -1 3 355.423 3.112 20 0 FGADHM COC(C)(C)C[C@@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000173521229 495570642 /nfs/dbraw/zinc/57/06/42/495570642.db2.gz BSNDBQBXHMUVLA-SECBINFHSA-N -1 3 368.268 3.070 20 0 FGADHM Cc1ccc([O-])c(CN(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)n1 ZINC000158716246 495574947 /nfs/dbraw/zinc/57/49/47/495574947.db2.gz PRUXSHWHHJNFJO-UHFFFAOYSA-N -1 3 351.450 3.152 20 0 FGADHM CCc1ccc([C@H](COC)NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)o1 ZINC000154333546 495584465 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Cc1nc(-c2ncccn2)sc1C(=O)N1CCCc2cccc([O-])c21 ZINC000182905164 495750606 /nfs/dbraw/zinc/75/06/06/495750606.db2.gz KZZRQLNBWHTZQT-UHFFFAOYSA-N -1 3 352.419 3.207 20 0 FGADHM Cc1cc2ccccc2n1CC(=O)Nc1cc(C)ccc1[N-]S(C)(=O)=O ZINC000173976685 495771233 /nfs/dbraw/zinc/77/12/33/495771233.db2.gz MJXQLHSJFRSEJJ-UHFFFAOYSA-N -1 3 371.462 3.268 20 0 FGADHM CCc1ccc([O-])c(C(=O)N2CCC(NC(=O)c3cc(C)oc3C)CC2)c1 ZINC000171211333 495771801 /nfs/dbraw/zinc/77/18/01/495771801.db2.gz UAGZYBHQRHHHNI-UHFFFAOYSA-N -1 3 370.449 3.199 20 0 FGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)c2cccc(OC(F)F)c2)c1 ZINC000173979683 495774125 /nfs/dbraw/zinc/77/41/25/495774125.db2.gz IHUBNVCHKUQZCG-UHFFFAOYSA-N -1 3 370.377 3.220 20 0 FGADHM CCC[C@@H](C)CS(=O)(=O)[N-][C@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000174043985 495800463 /nfs/dbraw/zinc/80/04/63/495800463.db2.gz ZYEPJWWKJUHCEO-VXGBXAGGSA-N -1 3 355.435 3.292 20 0 FGADHM CCC[C@H](C)CS(=O)(=O)[N-][C@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000174043998 495800770 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C[C@H]1CCN(C(=O)CNC(=O)c2cc3ccccc3[nH]2)c2c([O-])cccc21 ZINC000186331155 495951879 /nfs/dbraw/zinc/95/18/79/495951879.db2.gz ADIWTZALNXVPHG-ZDUSSCGKSA-N -1 3 363.417 3.144 20 0 FGADHM C[C@@H]1CCN(C(=O)CNC(=O)c2cc3ccccc3[nH]2)c2c([O-])cccc21 ZINC000186331133 495952261 /nfs/dbraw/zinc/95/22/61/495952261.db2.gz ADIWTZALNXVPHG-CYBMUJFWSA-N -1 3 363.417 3.144 20 0 FGADHM CC(C)c1nc2c(n1C)CCN(C(=O)c1ccc3c(c1[O-])CCCC3)C2 ZINC000186333486 495953024 /nfs/dbraw/zinc/95/30/24/495953024.db2.gz AVIOICAIFDEWKA-UHFFFAOYSA-N -1 3 353.466 3.326 20 0 FGADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N(C)[C@H](C)C3CC3)cs2)c1 ZINC000183395320 495963332 /nfs/dbraw/zinc/96/33/32/495963332.db2.gz WLOFGKVXGDSARC-GFCCVEGCSA-N -1 3 373.478 3.209 20 0 FGADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCc1ccoc1 ZINC000183399320 495965013 /nfs/dbraw/zinc/96/50/13/495965013.db2.gz UYTRWQOMUAAVOS-IBGZPJMESA-N -1 3 364.401 3.163 20 0 FGADHM C[C@@H]1CN(C(=O)NCc2ccc([O-])c(F)c2)C[C@@H](c2ccsc2)O1 ZINC000151852378 495970435 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O=C(CCC(=O)c1ccc(F)cc1)Nc1n[n-]c(-c2ccccc2F)n1 ZINC000171808736 496044943 /nfs/dbraw/zinc/04/49/43/496044943.db2.gz QSKUPLRWXDYMKV-UHFFFAOYSA-N -1 3 356.332 3.352 20 0 FGADHM Cc1ccc(CC[N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)o1 ZINC000577928615 505820086 /nfs/dbraw/zinc/82/00/86/505820086.db2.gz MBHXPXMGKZCJDM-UHFFFAOYSA-N -1 3 367.320 3.147 20 0 FGADHM O=C(NCc1nncn1C1CC1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000177406987 496050683 /nfs/dbraw/zinc/05/06/83/496050683.db2.gz DYYOVFDJPIZJKC-UHFFFAOYSA-N -1 3 350.378 3.041 20 0 FGADHM COc1ncnc(OC)c1C(=O)[N-]c1nc(-c2cc(C)oc2C)cs1 ZINC000171853771 496064985 /nfs/dbraw/zinc/06/49/85/496064985.db2.gz SWPMYZDRRMQCAY-UHFFFAOYSA-N -1 3 360.395 3.079 20 0 FGADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@@H](C)CC1CC1 ZINC000183661749 496068334 /nfs/dbraw/zinc/06/83/34/496068334.db2.gz QUGWAOUUHMROPA-QMMMGPOBSA-N -1 3 366.252 3.064 20 0 FGADHM Cc1c([O-])ccc2c(CN3CC[C@]4(C3)OCc3ccccc34)cc(=O)oc12 ZINC000186607700 496070075 /nfs/dbraw/zinc/07/00/75/496070075.db2.gz 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/nfs/dbraw/zinc/14/57/57/496145757.db2.gz MROPKZJZWONHSK-INIZCTEOSA-N -1 3 372.396 3.173 20 0 FGADHM CC(C)Cc1csc2[n-]c(Cn3cc(Br)cn3)nc(=O)c12 ZINC000156123371 496164453 /nfs/dbraw/zinc/16/44/53/496164453.db2.gz HIWCVXJDGFPEPA-UHFFFAOYSA-N -1 3 367.272 3.190 20 0 FGADHM O=C(c1ccc(O)cc1[O-])N1CCC(Cc2nc3ccccc3[nH]2)CC1 ZINC000568999468 505827605 /nfs/dbraw/zinc/82/76/05/505827605.db2.gz ABFLDLMWCJYSOF-UHFFFAOYSA-N -1 3 351.406 3.069 20 0 FGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@H]2CCOC(C)(C)C2)cc1Cl ZINC000156266013 496202838 /nfs/dbraw/zinc/20/28/38/496202838.db2.gz OKFZEISLFMMGCV-VIFPVBQESA-N -1 3 368.282 3.238 20 0 FGADHM CCOC(=O)c1cc(NC(=O)c2cc(Br)ccc2Cl)n[n-]1 ZINC000180929145 496203942 /nfs/dbraw/zinc/20/39/42/496203942.db2.gz WHPHMYKVUFHSLX-UHFFFAOYSA-N -1 3 372.606 3.255 20 0 FGADHM CCOC(=O)c1cc(NC(=O)c2cc(Br)ccc2Cl)[n-]n1 ZINC000180929145 496203948 /nfs/dbraw/zinc/20/39/48/496203948.db2.gz WHPHMYKVUFHSLX-UHFFFAOYSA-N -1 3 372.606 3.255 20 0 FGADHM CC(C)Cn1cnc(S(=O)(=O)[N-][C@H](C)c2ncc(-c3ccccc3)o2)c1 ZINC000175025350 496213985 /nfs/dbraw/zinc/21/39/85/496213985.db2.gz LJDWDLJLVQJKDF-CQSZACIVSA-N -1 3 374.466 3.234 20 0 FGADHM CCOc1ccc(S(=O)(=O)[N-]c2c(F)cccc2N2CCCC2)cn1 ZINC000181044101 496250942 /nfs/dbraw/zinc/25/09/42/496250942.db2.gz GPUVPZJFTMXCPQ-UHFFFAOYSA-N -1 3 365.430 3.020 20 0 FGADHM CC(C)c1nccn1CCC(=O)NCc1ccc([O-])c(Br)c1 ZINC000156533466 496271232 /nfs/dbraw/zinc/27/12/32/496271232.db2.gz YFVLPWRJNZUNLI-UHFFFAOYSA-N -1 3 366.259 3.181 20 0 FGADHM O=S(=O)([N-]C[C@H]1CCCCS1)c1ccc(Br)cc1F ZINC000162065901 496290792 /nfs/dbraw/zinc/29/07/92/496290792.db2.gz OKBLNOLIFYGPLS-SNVBAGLBSA-N -1 3 368.293 3.152 20 0 FGADHM COC(=O)CCSc1ncccc1[N-]C(=O)c1cc(F)c(F)c(F)c1 ZINC000184260839 496307795 /nfs/dbraw/zinc/30/77/95/496307795.db2.gz MYJZQBYWZFVRIV-UHFFFAOYSA-N -1 3 370.352 3.406 20 0 FGADHM CCOC(=O)[C@H](Cc1cccc2ccccc21)NC(=O)c1cccc([O-])c1 ZINC000187155968 496317518 /nfs/dbraw/zinc/31/75/18/496317518.db2.gz 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Cn1ccnc1-c1cc(NC(=O)c2ccc(OCc3ccccc3)nc2)[n-]n1 ZINC000179051877 496657528 /nfs/dbraw/zinc/65/75/28/496657528.db2.gz AKPZWVHVFWUCQR-UHFFFAOYSA-N -1 3 374.404 3.037 20 0 FGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ncc(-c2ccccc2)s1 ZINC000176058373 496664089 /nfs/dbraw/zinc/66/40/89/496664089.db2.gz XQARBRNYGHAQPP-UHFFFAOYSA-N -1 3 358.448 3.176 20 0 FGADHM CS(=O)(=O)[N-]c1cc(C(=O)Nc2cc(F)cc(Cl)c2)ccc1F ZINC000158284257 496667726 /nfs/dbraw/zinc/66/77/26/496667726.db2.gz WBLHNKJNZMIQSQ-UHFFFAOYSA-N -1 3 360.769 3.242 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)[C@H]3C[C@H]3c3ccc(F)cc3)[n-]c21 ZINC000158446736 496703688 /nfs/dbraw/zinc/70/36/88/496703688.db2.gz MHVVSGRYULNPGE-KBPBESRZSA-N -1 3 353.353 3.231 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@H]3C[C@H]3c3ccc(F)cc3)nc21 ZINC000158446736 496703691 /nfs/dbraw/zinc/70/36/91/496703691.db2.gz MHVVSGRYULNPGE-KBPBESRZSA-N -1 3 353.353 3.231 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)[C@H]1COc2ccccc21 ZINC000167590005 496703887 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0 FGADHM CN(C(=O)c1ccc2n[n-]nc2c1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273564531 496841708 /nfs/dbraw/zinc/84/17/08/496841708.db2.gz JAVZRHYEOVQYCC-CRAIPNDOSA-N -1 3 354.385 3.089 20 0 FGADHM COCCN(Cc1ccccn1)C(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000269091127 496869291 /nfs/dbraw/zinc/86/92/91/496869291.db2.gz HFBAMVPATNGOCL-UHFFFAOYSA-N -1 3 369.396 3.072 20 0 FGADHM CC(C)(C)[C@@H]([N-]S(C)(=O)=O)C(=O)Nc1cc(Cl)c(F)c(Cl)c1 ZINC000191751722 496878238 /nfs/dbraw/zinc/87/82/38/496878238.db2.gz SQTUSWGGYCLTNN-NSHDSACASA-N -1 3 371.261 3.035 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-]CCc1cn(C)c2cc(C)ccc12 ZINC000188702263 496882585 /nfs/dbraw/zinc/88/25/85/496882585.db2.gz BNJJKKSHDTUWHQ-UHFFFAOYSA-N -1 3 364.492 3.078 20 0 FGADHM Cc1cc([N-]C(=O)[C@H](C)N2CCc3c(Br)cccc3C2)on1 ZINC000195330496 496892087 /nfs/dbraw/zinc/89/20/87/496892087.db2.gz WMBIOYZKOUUOSH-NSHDSACASA-N -1 3 364.243 3.131 20 0 FGADHM COc1ccc(NC(=O)c2cc(OC)c([O-])c(OC)c2)cc1OC(C)C ZINC000273752069 496895563 /nfs/dbraw/zinc/89/55/63/496895563.db2.gz NOTWALZJHJHZDR-UHFFFAOYSA-N -1 3 361.394 3.458 20 0 FGADHM CCOC(=O)CCCCCSc1nc(=O)cc([O-])n1C1CCCC1 ZINC000277820248 496899910 /nfs/dbraw/zinc/89/99/10/496899910.db2.gz XUVGFTVLUZBFQU-UHFFFAOYSA-N -1 3 354.472 3.280 20 0 FGADHM COCCCCc1nc(Cc2nc(=O)c3c(C4CC4)csc3[n-]2)no1 ZINC000273801556 496912434 /nfs/dbraw/zinc/91/24/34/496912434.db2.gz UTMDDMHACRLVQQ-UHFFFAOYSA-N -1 3 360.439 3.217 20 0 FGADHM COc1ccc(CCNC(=O)c2cc([O-])ccc2C(F)(F)F)cc1OC ZINC000188827484 496920947 /nfs/dbraw/zinc/92/09/47/496920947.db2.gz HRLZFHMIVBUVAY-UHFFFAOYSA-N -1 3 369.339 3.401 20 0 FGADHM O=C(Nc1ccccc1[O-])C1CCN(C(=O)c2cc3sccc3[nH]2)CC1 ZINC000191890137 496922297 /nfs/dbraw/zinc/92/22/97/496922297.db2.gz MYLJVPUZTOLYCE-UHFFFAOYSA-N -1 3 369.446 3.426 20 0 FGADHM CC(C)[C@H](O)C(C)(C)CNC(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000188897100 496940702 /nfs/dbraw/zinc/94/07/02/496940702.db2.gz YMGPYTSGWDPHAI-FQEVSTJZSA-N -1 3 369.461 3.396 20 0 FGADHM CCCCc1nc(C(=O)OCC)c(NC(=O)[C@H]2CCOc3ccccc32)[n-]1 ZINC000191963636 496945917 /nfs/dbraw/zinc/94/59/17/496945917.db2.gz PLPQFWXKRGRVNQ-AWEZNQCLSA-N -1 3 371.437 3.434 20 0 FGADHM CCCCc1nc(NC(=O)[C@H]2CCOc3ccccc32)c(C(=O)OCC)[n-]1 ZINC000191963636 496945921 /nfs/dbraw/zinc/94/59/21/496945921.db2.gz PLPQFWXKRGRVNQ-AWEZNQCLSA-N -1 3 371.437 3.434 20 0 FGADHM CCCCc1nc(C(=O)OCC)c(NC(=O)Cc2cccc(OC)c2)[n-]1 ZINC000191965081 496946494 /nfs/dbraw/zinc/94/64/94/496946494.db2.gz IGRYQKJHAKBORE-UHFFFAOYSA-N -1 3 359.426 3.119 20 0 FGADHM CCCCc1nc(NC(=O)Cc2cccc(OC)c2)c(C(=O)OCC)[n-]1 ZINC000191965081 496946499 /nfs/dbraw/zinc/94/64/99/496946499.db2.gz IGRYQKJHAKBORE-UHFFFAOYSA-N -1 3 359.426 3.119 20 0 FGADHM CCOC(=O)c1nnc(C2CCN(C(=O)Nc3cc(C)cc(C)c3)CC2)[n-]1 ZINC000278009021 496970427 /nfs/dbraw/zinc/97/04/27/496970427.db2.gz VMFAQVOYUKOBBO-UHFFFAOYSA-N -1 3 371.441 3.010 20 0 FGADHM CCOC(=O)c1nc(C2CCN(C(=O)Nc3cc(C)cc(C)c3)CC2)n[n-]1 ZINC000278009021 496970432 /nfs/dbraw/zinc/97/04/32/496970432.db2.gz VMFAQVOYUKOBBO-UHFFFAOYSA-N -1 3 371.441 3.010 20 0 FGADHM O=C(Nc1nnc(-c2ccco2)[n-]1)c1cccc(Br)c1F ZINC000192044371 496973391 /nfs/dbraw/zinc/97/33/91/496973391.db2.gz MBUSBRQTTMXCAW-UHFFFAOYSA-N -1 3 351.135 3.219 20 0 FGADHM O=C(Nc1nc(-c2ccco2)n[n-]1)c1cccc(Br)c1F ZINC000192044371 496973395 /nfs/dbraw/zinc/97/33/95/496973395.db2.gz MBUSBRQTTMXCAW-UHFFFAOYSA-N -1 3 351.135 3.219 20 0 FGADHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1cccc(Br)c1F ZINC000192044371 496973401 /nfs/dbraw/zinc/97/34/01/496973401.db2.gz MBUSBRQTTMXCAW-UHFFFAOYSA-N -1 3 351.135 3.219 20 0 FGADHM Cc1cccc(C)c1NC(=O)CNC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000189007390 496976508 /nfs/dbraw/zinc/97/65/08/496976508.db2.gz AGHNWNGDDUIETR-UHFFFAOYSA-N -1 3 366.339 3.396 20 0 FGADHM CCCS(=O)(=O)[N-]c1ccc(-c2nc(C3(OC)CCCC3)no2)cc1 ZINC000273972454 496977819 /nfs/dbraw/zinc/97/78/19/496977819.db2.gz SEXGXIATRGMTQH-UHFFFAOYSA-N -1 3 365.455 3.304 20 0 FGADHM COc1cc2c(cc1OC)CN(CC[C@H](C(=O)[O-])c1ccccc1)CC2 ZINC000572047849 505877411 /nfs/dbraw/zinc/87/74/11/505877411.db2.gz DILBOCPALRUGGW-SFHVURJKSA-N -1 3 355.434 3.320 20 0 FGADHM CCc1ccc(C(=O)N2CCN(C(=O)c3cccc(Cl)c3)CC2)c([O-])c1 ZINC000189027741 496982478 /nfs/dbraw/zinc/98/24/78/496982478.db2.gz PBHPCWVPXHEBKD-UHFFFAOYSA-N -1 3 372.852 3.206 20 0 FGADHM CC[C@@H](NC(=O)Cc1noc(-c2cccc(OC)c2[O-])n1)c1ccccc1 ZINC000278042270 496982664 /nfs/dbraw/zinc/98/26/64/496982664.db2.gz TZMLNHBRWMAFAR-OAHLLOKOSA-N -1 3 367.405 3.261 20 0 FGADHM CS[C@@H]1CCCCN(Cc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)C1 ZINC000269648449 496983218 /nfs/dbraw/zinc/98/32/18/496983218.db2.gz LNGKSDOSTGKREJ-OAHLLOKOSA-N -1 3 369.494 3.239 20 0 FGADHM O=c1cc(CN[C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)c2ccc([O-])cc2o1 ZINC000192132758 497005762 /nfs/dbraw/zinc/00/57/62/497005762.db2.gz RRTYDRRZABVNJG-FXAWDEMLSA-N -1 3 373.355 3.397 20 0 FGADHM C[C@@H]1CCCCN1C(=O)c1ccc(NC([O-])=NO[C@@H]2CCCCO2)cc1 ZINC000274138515 497025388 /nfs/dbraw/zinc/02/53/88/497025388.db2.gz DAAIAWHBFVLJQW-RHSMWYFYSA-N -1 3 361.442 3.281 20 0 FGADHM C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)[N-]O[C@@H]2CCCCO2)cc1 ZINC000274138515 497025394 /nfs/dbraw/zinc/02/53/94/497025394.db2.gz DAAIAWHBFVLJQW-RHSMWYFYSA-N -1 3 361.442 3.281 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1)c1nc(C(F)(F)F)cs1 ZINC000278301393 497066664 /nfs/dbraw/zinc/06/66/64/497066664.db2.gz CPMILHYEILLIFE-ZETCQYMHSA-N -1 3 354.350 3.341 20 0 FGADHM CCOC(=O)c1cnc(C)c(C(=O)N2CC[C@H](C)c3cccc([O-])c32)c1 ZINC000274360834 497079514 /nfs/dbraw/zinc/07/95/14/497079514.db2.gz LEQDCVWOGJOUSU-LBPRGKRZSA-N -1 3 354.406 3.426 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1cccc(F)c1)c1nc(C(F)(F)F)cs1 ZINC000278366585 497089425 /nfs/dbraw/zinc/08/94/25/497089425.db2.gz JYXTZLGJFDVADH-SSDOTTSWSA-N -1 3 354.350 3.341 20 0 FGADHM COc1cc(NC(=O)[C@@H]2C[C@H]2C)c(C(=O)Nc2ccccc2[O-])cc1OC ZINC000270285481 497094047 /nfs/dbraw/zinc/09/40/47/497094047.db2.gz NKAAQEKXQFGRIX-VXGBXAGGSA-N -1 3 370.405 3.256 20 0 FGADHM CCCOc1ccc(C[N-]S(=O)(=O)c2cc(Cl)ccc2F)cn1 ZINC000574923673 505884380 /nfs/dbraw/zinc/88/43/80/505884380.db2.gz PYINMBWNBMEHQE-UHFFFAOYSA-N -1 3 358.822 3.141 20 0 FGADHM Cc1cnc(CCN(C)Cc2oc(-c3ccccc3)nc2C(=O)[O-])s1 ZINC000569229707 505884535 /nfs/dbraw/zinc/88/45/35/505884535.db2.gz LRXDLZZFXZZKNO-UHFFFAOYSA-N -1 3 357.435 3.479 20 0 FGADHM CCCCOCCC[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000230585852 497106094 /nfs/dbraw/zinc/10/60/94/497106094.db2.gz GDJREBLEYIQGLY-UHFFFAOYSA-N -1 3 368.268 3.073 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-][C@H](C)CC(F)(F)F)c(Br)c1 ZINC000231752072 497110377 /nfs/dbraw/zinc/11/03/77/497110377.db2.gz OYUDMIKTUCFNTM-MRVPVSSYSA-N -1 3 360.195 3.377 20 0 FGADHM CCCCS(=O)(=O)c1ccc(C(=O)Nc2cc(F)ccc2[O-])cc1 ZINC000192440146 497115355 /nfs/dbraw/zinc/11/53/55/497115355.db2.gz PFEXHUPALFNYDA-UHFFFAOYSA-N -1 3 351.399 3.357 20 0 FGADHM COc1ccc([O-])c(C(=O)NCC(=O)Nc2cc(Cl)ccc2Cl)c1 ZINC000192477417 497127898 /nfs/dbraw/zinc/12/78/98/497127898.db2.gz ANRVUJCEFGGTMN-UHFFFAOYSA-N -1 3 369.204 3.076 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)NCC3(CCO)CCCCC3)c[n-]c12 ZINC000278487983 497132048 /nfs/dbraw/zinc/13/20/48/497132048.db2.gz YOQCXNGMNAHFCP-UHFFFAOYSA-N -1 3 360.429 3.451 20 0 FGADHM CC(C)c1ccc([C@H](N)C[N-]S(=O)(=O)c2cccc(F)c2F)cc1 ZINC000236783300 497145146 /nfs/dbraw/zinc/14/51/46/497145146.db2.gz GROMGHPRKJRNSU-OAHLLOKOSA-N -1 3 354.422 3.067 20 0 FGADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCN(C(=O)CCC3CCCCC3)CC2)n1 ZINC000192549786 497146774 /nfs/dbraw/zinc/14/67/74/497146774.db2.gz ZJDFRAWNPZZCGT-MRXNPFEDSA-N -1 3 360.502 3.056 20 0 FGADHM CC[C@H]1[C@H](C)CCN1C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000274768545 497161070 /nfs/dbraw/zinc/16/10/70/497161070.db2.gz QTBGNPRHUNYSBS-DOMZBBRYSA-N -1 3 369.487 3.109 20 0 FGADHM Cc1noc(C)c1S(=O)(=O)[N-]Cc1ccc(OC2CCCC2)cc1 ZINC000569245734 505888392 /nfs/dbraw/zinc/88/83/92/505888392.db2.gz WFRTZVKWHDCOAG-UHFFFAOYSA-N -1 3 350.440 3.091 20 0 FGADHM COc1cc(C(=O)N2C[C@H](c3ccccc3)OC[C@@H]2C)cc(OC)c1[O-] ZINC000270652526 497170641 /nfs/dbraw/zinc/17/06/41/497170641.db2.gz ANVODZPENVGELM-SCLBCKFNSA-N -1 3 357.406 3.012 20 0 FGADHM COCC[C@H]([N-]S(=O)(=O)C1=Cc2ccccc2OCC1)c1ccco1 ZINC000274828196 497176835 /nfs/dbraw/zinc/17/68/35/497176835.db2.gz YFOVXZZEWYBVNL-INIZCTEOSA-N -1 3 363.435 3.100 20 0 FGADHM [O-]C(=NO[C@H]1CCCCO1)Nc1ccc(OCc2ccccn2)c(F)c1 ZINC000274861729 497184382 /nfs/dbraw/zinc/18/43/82/497184382.db2.gz UMDNFVYIAQCTAY-KRWDZBQOSA-N -1 3 361.373 3.379 20 0 FGADHM O=C([N-]O[C@H]1CCCCO1)Nc1ccc(OCc2ccccn2)c(F)c1 ZINC000274861729 497184390 /nfs/dbraw/zinc/18/43/90/497184390.db2.gz UMDNFVYIAQCTAY-KRWDZBQOSA-N -1 3 361.373 3.379 20 0 FGADHM O=C(Nc1ccc2c(c1)CCC(=O)N2CC1CC1)c1c([O-])cccc1O ZINC000274872716 497187933 /nfs/dbraw/zinc/18/79/33/497187933.db2.gz DLMFOYIHZQKYLL-UHFFFAOYSA-N -1 3 352.390 3.039 20 0 FGADHM COc1ccccc1C[C@H](C)N(C)C(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000270858484 497215633 /nfs/dbraw/zinc/21/56/33/497215633.db2.gz ZABVBTKJCTYSFZ-ZDUSSCGKSA-N -1 3 359.422 3.121 20 0 FGADHM CCCN(C(=O)NCc1ccc([O-])c(F)c1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000265960606 497218484 /nfs/dbraw/zinc/21/84/84/497218484.db2.gz QIKBAHRALSAOEQ-IAOVAPTHSA-N -1 3 350.434 3.266 20 0 FGADHM Cc1cc(=O)[n-]c([C@H](C)N[C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)n1 ZINC000192813967 497221523 /nfs/dbraw/zinc/22/15/23/497221523.db2.gz RRNBVKFBSNYYSY-DRZCJDIDSA-N -1 3 351.809 3.464 20 0 FGADHM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccsc3Cl)ccc21 ZINC000189732799 497226216 /nfs/dbraw/zinc/22/62/16/497226216.db2.gz FQDBFQKDDUDWPS-UHFFFAOYSA-N -1 3 356.856 3.111 20 0 FGADHM CC(=O)[C@@H](C)CCCCc1nc(-c2ccc([N-]S(C)(=O)=O)cc2)no1 ZINC000275055426 497228750 /nfs/dbraw/zinc/22/87/50/497228750.db2.gz PONNCPYPDNOVCX-LBPRGKRZSA-N -1 3 365.455 3.046 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)[C@H](c1ccccc1)N(C)C ZINC000192864377 497232322 /nfs/dbraw/zinc/23/23/22/497232322.db2.gz HSJFNYJPRGGTNO-PIGZYNQJSA-N -1 3 372.412 3.074 20 0 FGADHM Cc1ccc(NC([O-])=NOCc2cccnc2)cc1C(=O)N1CCCCC1 ZINC000278840607 497239454 /nfs/dbraw/zinc/23/94/54/497239454.db2.gz DXSVKULCOLRWBT-UHFFFAOYSA-N -1 3 368.437 3.269 20 0 FGADHM Cc1ccc(NC(=O)[N-]OCc2cccnc2)cc1C(=O)N1CCCCC1 ZINC000278840607 497239460 /nfs/dbraw/zinc/23/94/60/497239460.db2.gz DXSVKULCOLRWBT-UHFFFAOYSA-N -1 3 368.437 3.269 20 0 FGADHM O=C(CNC(=O)c1cccc([O-])c1)N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000275175676 497249992 /nfs/dbraw/zinc/24/99/92/497249992.db2.gz VPSXYVBXKMLRSV-QGZVFWFLSA-N -1 3 358.825 3.139 20 0 FGADHM CCCS(=O)(=O)[N-]c1ccc(C(=O)Nc2c(C)cccc2OC)cc1 ZINC000192954089 497258697 /nfs/dbraw/zinc/25/86/97/497258697.db2.gz RYSCDVNKCRCYNW-UHFFFAOYSA-N -1 3 362.451 3.408 20 0 FGADHM C[C@H](Sc1n[n-]c(-c2ccccn2)n1)c1ccc(S(C)(=O)=O)cc1 ZINC000189848952 497266545 /nfs/dbraw/zinc/26/65/45/497266545.db2.gz MBZZELHNBOKIOX-NSHDSACASA-N -1 3 360.464 3.124 20 0 FGADHM [O-]C(=NOCc1cccnc1)Nc1cccc2c1CN(CC(F)(F)F)C2 ZINC000193030962 497280660 /nfs/dbraw/zinc/28/06/60/497280660.db2.gz ASKYMTGDGJCCLZ-UHFFFAOYSA-N -1 3 366.343 3.213 20 0 FGADHM O=C([N-]OCc1cccnc1)Nc1cccc2c1CN(CC(F)(F)F)C2 ZINC000193030962 497280666 /nfs/dbraw/zinc/28/06/66/497280666.db2.gz ASKYMTGDGJCCLZ-UHFFFAOYSA-N -1 3 366.343 3.213 20 0 FGADHM O=C(CNC(=O)c1cccc([O-])c1)Nc1ccc(N2CCCCCC2)cc1 ZINC000275363552 497302807 /nfs/dbraw/zinc/30/28/07/497302807.db2.gz ULTUKUDCXXWHTK-UHFFFAOYSA-N -1 3 367.449 3.141 20 0 FGADHM CCOc1nc2cc(C(=O)N3CCC[C@H](C(=O)OC(C)(C)C)C3)ccc2[n-]1 ZINC000578250817 505898294 /nfs/dbraw/zinc/89/82/94/505898294.db2.gz XSIHWBSHBINQHO-AWEZNQCLSA-N -1 3 373.453 3.156 20 0 FGADHM CCOc1nc2ccc(C(=O)N3CCC[C@H](C(=O)OC(C)(C)C)C3)cc2[n-]1 ZINC000578250817 505898297 /nfs/dbraw/zinc/89/82/97/505898297.db2.gz XSIHWBSHBINQHO-AWEZNQCLSA-N -1 3 373.453 3.156 20 0 FGADHM CCC[C@@]1(C)CCCN(C(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)C1 ZINC000266347227 497311017 /nfs/dbraw/zinc/31/10/17/497311017.db2.gz NYFKPDVETVBAQM-KRWDZBQOSA-N -1 3 356.463 3.240 20 0 FGADHM Cc1ccc(-c2cc(C(=O)Nc3cc(C(=O)N(C)C)ccc3C)n[n-]2)o1 ZINC000193233311 497329477 /nfs/dbraw/zinc/32/94/77/497329477.db2.gz NAMUDYZGKIIPQB-UHFFFAOYSA-N -1 3 352.394 3.241 20 0 FGADHM Cc1ccc(-c2cc(C(=O)Nc3cc(C(=O)N(C)C)ccc3C)[n-]n2)o1 ZINC000193233311 497329482 /nfs/dbraw/zinc/32/94/82/497329482.db2.gz NAMUDYZGKIIPQB-UHFFFAOYSA-N -1 3 352.394 3.241 20 0 FGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@@H]1CC[C@@H](C)C[C@H]1C ZINC000253542540 497337563 /nfs/dbraw/zinc/33/75/63/497337563.db2.gz BMUQBIIMWVAXNQ-HBUWYVDXSA-N -1 3 368.481 3.426 20 0 FGADHM COc1ccc2oc(C(=O)Nc3ccccc3[N-]S(C)(=O)=O)c(C)c2c1 ZINC000253598876 497344919 /nfs/dbraw/zinc/34/49/19/497344919.db2.gz GPKULYDBWUWYRD-UHFFFAOYSA-N -1 3 374.418 3.374 20 0 FGADHM CO[C@@H](C)CS(=O)(=O)[N-]c1cccc(C[S@](=O)C2CCCCC2)c1 ZINC000193328941 497352087 /nfs/dbraw/zinc/35/20/87/497352087.db2.gz CHLZKKKLEXMRKK-PSLXWICFSA-N -1 3 373.540 3.045 20 0 FGADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)Nc1ccc(C2CCC2)cn1 ZINC000578274190 505902577 /nfs/dbraw/zinc/90/25/77/505902577.db2.gz GHDSPHFXDTYRRS-UHFFFAOYSA-N -1 3 363.421 3.466 20 0 FGADHM CN(C(=O)c1cc(=O)c2ccccc2[n-]1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000266671905 497394931 /nfs/dbraw/zinc/39/49/31/497394931.db2.gz HYCUGEXRWIXAMT-ZDUSSCGKSA-N -1 3 371.437 3.022 20 0 FGADHM CCO[C@@H](C[N-]S(=O)(=O)Cc1c(F)cccc1F)c1ccccc1 ZINC000193540791 497407853 /nfs/dbraw/zinc/40/78/53/497407853.db2.gz LTNFCYMAEMHTBX-KRWDZBQOSA-N -1 3 355.406 3.162 20 0 FGADHM COc1cccc(C[C@@H](C)[N-]S(=O)(=O)c2ccc(F)cc2Cl)c1 ZINC000261481490 497414910 /nfs/dbraw/zinc/41/49/10/497414910.db2.gz VKRHOYOADXEXFJ-LLVKDONJSA-N -1 3 357.834 3.397 20 0 FGADHM CCCC(C)(C)Cc1nc(-c2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)no1 ZINC000581096111 505908356 /nfs/dbraw/zinc/90/83/56/505908356.db2.gz HBEQRVBXCHGJOV-LJQANCHMSA-N -1 3 356.426 3.160 20 0 FGADHM CN1CC[C@H]([N-]S(=O)(=O)c2ccc(F)cc2Cl)[C@H]1c1ccccc1 ZINC000245664944 497492607 /nfs/dbraw/zinc/49/26/07/497492607.db2.gz QSRPEYNESBDKBF-DOTOQJQBSA-N -1 3 368.861 3.203 20 0 FGADHM COc1cc(S(=O)(=O)[N-][C@@H]2CCC[C@H](C(F)(F)F)C2)ccc1F ZINC000190490485 497502562 /nfs/dbraw/zinc/50/25/62/497502562.db2.gz YCTFNHLSFQIRBN-VHSXEESVSA-N -1 3 355.353 3.234 20 0 FGADHM CN(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2cc(=O)c3ccccc3[n-]2)C1 ZINC000267245240 497509907 /nfs/dbraw/zinc/50/99/07/497509907.db2.gz CIHKYYLBZPXIKD-CYBMUJFWSA-N -1 3 371.437 3.022 20 0 FGADHM COc1ccc(Oc2ccc([N-]S(=O)(=O)CCOC(C)C)cn2)cc1 ZINC000267269812 497513223 /nfs/dbraw/zinc/51/32/23/497513223.db2.gz DTZXOMBREUSSFQ-UHFFFAOYSA-N -1 3 366.439 3.049 20 0 FGADHM C[C@H](C(=O)Nc1ccccc1C(F)(F)F)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000262237895 497528117 /nfs/dbraw/zinc/52/81/17/497528117.db2.gz XOOJEDVLTDPFEC-BWACUDIHSA-N -1 3 370.371 3.219 20 0 FGADHM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H]1CC=CCC1 ZINC000190570069 497532674 /nfs/dbraw/zinc/53/26/74/497532674.db2.gz HTCQHUPVQFOISK-UONOGXRCSA-N -1 3 373.902 3.388 20 0 FGADHM CC1(C)C[C@@H]([N-]S(=O)(=O)c2cc(F)ccc2F)c2cc(N)ccc2O1 ZINC000262280075 497533536 /nfs/dbraw/zinc/53/35/36/497533536.db2.gz UJWTXNJTSBWAQC-CQSZACIVSA-N -1 3 368.405 3.128 20 0 FGADHM O=C([N-]c1nc2ccccn2n1)c1cc(Br)c(F)cc1F ZINC000190596256 497539075 /nfs/dbraw/zinc/53/90/75/497539075.db2.gz YQLHDXHRJUMAAL-UHFFFAOYSA-N -1 3 353.126 3.022 20 0 FGADHM CC(=O)NCCc1ccc(S(=O)(=O)[N-]CC[C@@H](C)CC(C)(C)C)s1 ZINC000190680027 497570129 /nfs/dbraw/zinc/57/01/29/497570129.db2.gz MIUACJVYZDUAEA-CYBMUJFWSA-N -1 3 374.572 3.167 20 0 FGADHM CC1CCC(OCC(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)CC1 ZINC000279877601 497573024 /nfs/dbraw/zinc/57/30/24/497573024.db2.gz KABJDVYEOZEREE-UHFFFAOYSA-N -1 3 374.481 3.165 20 0 FGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc2nc(C3CC3)oc2c1 ZINC000267537052 497574183 /nfs/dbraw/zinc/57/41/83/497574183.db2.gz YYWKQEGCCWVZFV-UHFFFAOYSA-N -1 3 356.407 3.483 20 0 FGADHM COc1cc(/C=C(/C(=O)[N-]OC[C@@H]2CCOC2)c2ccccc2)ccc1O ZINC000276493485 497586187 /nfs/dbraw/zinc/58/61/87/497586187.db2.gz SVSCVXXIYXJHQL-YCPFAOKUSA-N -1 3 369.417 3.026 20 0 FGADHM C[C@H](NC(=O)[C@H](C)N1CCC[C@@H](C(=O)[O-])C1)c1cccc2ccccc21 ZINC000262629149 497587992 /nfs/dbraw/zinc/58/79/92/497587992.db2.gz DYLIWAWQYSUFGW-YQQAZPJKSA-N -1 3 354.450 3.202 20 0 FGADHM Cc1noc(C)c1S(=O)(=O)[N-]C[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000190766009 497598411 /nfs/dbraw/zinc/59/84/11/497598411.db2.gz LHIVIMFVEFZRAR-VIFPVBQESA-N -1 3 362.373 3.392 20 0 FGADHM CCc1ccc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccccc2C)c([O-])c1 ZINC000190845679 497620533 /nfs/dbraw/zinc/62/05/33/497620533.db2.gz RDQZYWTXHXRHGG-QGZVFWFLSA-N -1 3 370.474 3.417 20 0 FGADHM COc1ccc(C(=O)N2CCCC2)cc1NC(=O)c1ccc([O-])c(C)c1 ZINC000272437286 497628500 /nfs/dbraw/zinc/62/85/00/497628500.db2.gz METBLMPQKIAQAG-UHFFFAOYSA-N -1 3 354.406 3.198 20 0 FGADHM O=C(Nc1cc(C2CCOCC2)[nH]n1)c1cc([O-])ccc1C(F)(F)F ZINC000280042816 497629518 /nfs/dbraw/zinc/62/95/18/497629518.db2.gz GYWDTMNCCANPOY-UHFFFAOYSA-N -1 3 355.316 3.280 20 0 FGADHM CCOC(=O)c1ccsc1[N-]C(=O)C(=O)N([C@@H](C)[C@@H](C)CC)C1CC1 ZINC000190909210 497641897 /nfs/dbraw/zinc/64/18/97/497641897.db2.gz FPFCPSPIXZZMAV-RYUDHWBXSA-N -1 3 366.483 3.289 20 0 FGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1c2ccccc2O[C@@H]1C ZINC000569383369 505921921 /nfs/dbraw/zinc/92/19/21/505921921.db2.gz VRPRZELLNDJALF-QLJPJBMISA-N -1 3 353.827 3.149 20 0 FGADHM CCCNC(=O)c1cccc(NC(=O)c2cc(-c3ccc(C)o3)[n-]n2)c1 ZINC000194476793 497679963 /nfs/dbraw/zinc/67/99/63/497679963.db2.gz GZXVRENUBHLTLL-UHFFFAOYSA-N -1 3 352.394 3.370 20 0 FGADHM CCCNC(=O)c1cccc(NC(=O)c2cc(-c3ccc(C)o3)n[n-]2)c1 ZINC000194476793 497679965 /nfs/dbraw/zinc/67/99/65/497679965.db2.gz GZXVRENUBHLTLL-UHFFFAOYSA-N -1 3 352.394 3.370 20 0 FGADHM CCC(CC)(CNC(=O)NCC(C)(C)N[C@@H](C)c1ccccc1)C(=O)[O-] ZINC000263021060 497683188 /nfs/dbraw/zinc/68/31/88/497683188.db2.gz FBUAUXHDASWLPA-HNNXBMFYSA-N -1 3 363.502 3.306 20 0 FGADHM C[C@H]1C[C@@H](NC(=O)c2cc(=O)c3ccccc3[n-]2)CN1Cc1ccccc1 ZINC000268135997 497684292 /nfs/dbraw/zinc/68/42/92/497684292.db2.gz CJLZOXYSWBKOMB-DOTOQJQBSA-N -1 3 361.445 3.333 20 0 FGADHM Cc1nc(CCCNCc2cn(-c3ccccc3)nc2C)sc1C(=O)[O-] ZINC000276958155 497699290 /nfs/dbraw/zinc/69/92/90/497699290.db2.gz FPANNODPWYWPBR-UHFFFAOYSA-N -1 3 370.478 3.366 20 0 FGADHM C[C@H](NC(=O)[C@H](C)N1CC[C@@](C)(C(=O)[O-])C1)c1cccc2ccccc21 ZINC000263075929 497699457 /nfs/dbraw/zinc/69/94/57/497699457.db2.gz GMGGZFFKOYKLAB-VFCRVFHLSA-N -1 3 354.450 3.202 20 0 FGADHM Cc1sc([C@@H](C)[N-]S(=O)(=O)C2COC2)nc1-c1ccc(Cl)cc1 ZINC000277022319 497719262 /nfs/dbraw/zinc/71/92/62/497719262.db2.gz HMWOOQDKRXRFNC-SECBINFHSA-N -1 3 372.899 3.151 20 0 FGADHM COc1ccc([N-]S(=O)(=O)Cc2c(F)cccc2F)c2cccnc12 ZINC000194615177 497719981 /nfs/dbraw/zinc/71/99/81/497719981.db2.gz HIZOPGOVALNNKY-UHFFFAOYSA-N -1 3 364.373 3.464 20 0 FGADHM CCOC(=O)c1c(C)c(C(C)=O)sc1[N-]C(=O)c1ncc(F)cc1F ZINC000277059084 497729373 /nfs/dbraw/zinc/72/93/73/497729373.db2.gz RAKWLPJQFADSMJ-UHFFFAOYSA-N -1 3 368.361 3.361 20 0 FGADHM COc1ccc(C(=O)N(Cc2ccc(F)cc2)C2CCOCC2)c([O-])c1 ZINC000277112317 497745482 /nfs/dbraw/zinc/74/54/82/497745482.db2.gz NAWKBJVKXYMRHS-UHFFFAOYSA-N -1 3 359.397 3.361 20 0 FGADHM COc1cccc(CSC[C@H](NCc2cc(F)cc(F)c2)C(=O)[O-])c1 ZINC000277114375 497746577 /nfs/dbraw/zinc/74/65/77/497746577.db2.gz AMSRYIAVVIEJPH-KRWDZBQOSA-N -1 3 367.417 3.450 20 0 FGADHM Cc1ccnc(OC2CCN(C(=O)c3c[n-]c4ccccc4c3=O)CC2)c1 ZINC000272866261 497748209 /nfs/dbraw/zinc/74/82/09/497748209.db2.gz JUAPTOLRRCRHQS-UHFFFAOYSA-N -1 3 363.417 3.327 20 0 FGADHM COCc1nc(S[C@H](C(=O)N2c3ccccc3C[C@H]2C)C(C)C)n[n-]1 ZINC000268454923 497754573 /nfs/dbraw/zinc/75/45/73/497754573.db2.gz BZARIEPVYWSMEJ-WBMJQRKESA-N -1 3 360.483 3.046 20 0 FGADHM COCc1nc(S[C@H](C(=O)N2c3ccccc3C[C@@H]2C)C(C)C)n[n-]1 ZINC000268454921 497755339 /nfs/dbraw/zinc/75/53/39/497755339.db2.gz BZARIEPVYWSMEJ-LRDDRELGSA-N -1 3 360.483 3.046 20 0 FGADHM O=C(NC[C@H]1CCN(Cc2ccccc2)C1)c1cc(F)c(F)c([O-])c1F ZINC000194745597 497757804 /nfs/dbraw/zinc/75/78/04/497757804.db2.gz HQWVRPTYKDIPLE-CYBMUJFWSA-N -1 3 364.367 3.061 20 0 FGADHM COCc1nc(SCC(=O)N[C@H](c2cccs2)C(C)(C)C)n[n-]1 ZINC000268480770 497761413 /nfs/dbraw/zinc/76/14/13/497761413.db2.gz KWYJYDLAVYKMSK-CYBMUJFWSA-N -1 3 354.501 3.008 20 0 FGADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NC1CC(F)(F)C1 ZINC000277192901 497771073 /nfs/dbraw/zinc/77/10/73/497771073.db2.gz BXCFCSRXROKKPL-KRWDZBQOSA-N -1 3 374.387 3.167 20 0 FGADHM Cc1cc(Cl)ccc1CN[C@@H](CC(=O)OCc1ccccc1)C(=O)[O-] ZINC000277217443 497779574 /nfs/dbraw/zinc/77/95/74/497779574.db2.gz HPMISEMOXURSPN-KRWDZBQOSA-N -1 3 361.825 3.325 20 0 FGADHM CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)c1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000246588381 497783781 /nfs/dbraw/zinc/78/37/81/497783781.db2.gz IKMISCPRQZRVDF-VWKPWSFCSA-N -1 3 371.481 3.076 20 0 FGADHM Cc1cccc(CC2(O)CCN(Cc3nc4ccsc4c(=O)[n-]3)CC2)c1 ZINC000280569703 497791200 /nfs/dbraw/zinc/79/12/00/497791200.db2.gz RUPVCWMOQYLPDO-UHFFFAOYSA-N -1 3 369.490 3.275 20 0 FGADHM CCOCCOc1ccc(Br)cc1CN(C)C[C@@H](C)C(=O)[O-] ZINC000263524408 497795673 /nfs/dbraw/zinc/79/56/73/497795673.db2.gz SOUNPXIWFSBMIC-GFCCVEGCSA-N -1 3 374.275 3.017 20 0 FGADHM COc1ccc(NC(=O)[C@H](c2ccccc2)N2CC[C@@](C)(C(=O)[O-])C2)cc1 ZINC000263562181 497800305 /nfs/dbraw/zinc/80/03/05/497800305.db2.gz CPLMNAQNCPOLBP-GHTZIAJQSA-N -1 3 368.433 3.172 20 0 FGADHM O=C([O-])c1ccc(CN2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)cc1 ZINC000263569573 497801175 /nfs/dbraw/zinc/80/11/75/497801175.db2.gz HOADGMKWGBBBFV-UHFFFAOYSA-N -1 3 373.840 3.284 20 0 FGADHM Cc1c([O-])ccc2c(CN3CCC[C@H]3C[C@@H](O)c3ccco3)cc(=O)oc12 ZINC000246814847 497813454 /nfs/dbraw/zinc/81/34/54/497813454.db2.gz YVHCOHIDUDQAGO-MAUKXSAKSA-N -1 3 369.417 3.488 20 0 FGADHM O=S(=O)([N-]Cc1cn2c(n1)CCCC2)c1cccc(Cl)c1Cl ZINC000263780842 497815243 /nfs/dbraw/zinc/81/52/43/497815243.db2.gz LOJNVVZRCMHCHG-UHFFFAOYSA-N -1 3 360.266 3.005 20 0 FGADHM COc1cc(C(=O)Nc2ncc(C3CCOCC3)s2)cc(OC)c1[O-] ZINC000295842412 497827551 /nfs/dbraw/zinc/82/75/51/497827551.db2.gz CTVMFJACMQRRNE-UHFFFAOYSA-N -1 3 364.423 3.012 20 0 FGADHM CCCCCC(=O)NC1CCN(C(=O)c2cc(=O)c3ccccc3[n-]2)CC1 ZINC000299517692 497832153 /nfs/dbraw/zinc/83/21/53/497832153.db2.gz VSVRTZXRLMBUIE-UHFFFAOYSA-N -1 3 369.465 3.242 20 0 FGADHM CC[C@](C)(NCc1nc(=O)c2c(-c3ccco3)csc2[n-]1)C(=O)OC ZINC000299637576 497876569 /nfs/dbraw/zinc/87/65/69/497876569.db2.gz KHIWDHVAYBBRHG-KRWDZBQOSA-N -1 3 361.423 3.088 20 0 FGADHM CCN(CC(C)(C)C)C(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000292125790 497889919 /nfs/dbraw/zinc/88/99/19/497889919.db2.gz PEMTXCQNDOWGEO-UHFFFAOYSA-N -1 3 359.426 3.449 20 0 FGADHM CCCc1nc(C)c(C[N-]S(=O)(=O)c2cccc(C(=O)CC)c2)o1 ZINC000292134392 497891820 /nfs/dbraw/zinc/89/18/20/497891820.db2.gz YGNPQRXUBYFWSP-UHFFFAOYSA-N -1 3 350.440 3.007 20 0 FGADHM C[C@H]1CCC[C@H](CO)N1Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000299732907 497911005 /nfs/dbraw/zinc/91/10/05/497911005.db2.gz YBLHIBVWJVEALI-NWDGAFQWSA-N -1 3 359.451 3.392 20 0 FGADHM COC(=O)CCCO[N-]C(=O)Nc1cc(F)ccc1SCC(F)F ZINC000288837878 497916324 /nfs/dbraw/zinc/91/63/24/497916324.db2.gz PJGQWNISZURPIE-UHFFFAOYSA-N -1 3 366.361 3.189 20 0 FGADHM O=c1[nH]c(CC(F)(F)F)c([O-])n1-c1ccc(Oc2cccnc2)cc1 ZINC000348974967 497934071 /nfs/dbraw/zinc/93/40/71/497934071.db2.gz SECXMBAMAKKZKD-ZDUSSCGKSA-N -1 3 351.284 3.251 20 0 FGADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1ccccc1OCC(F)(F)F ZINC000296179374 497946633 /nfs/dbraw/zinc/94/66/33/497946633.db2.gz BOVUKYZRNJTMLA-UHFFFAOYSA-N -1 3 364.320 3.023 20 0 FGADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1ccccc1OCC(F)(F)F ZINC000296179374 497946639 /nfs/dbraw/zinc/94/66/39/497946639.db2.gz BOVUKYZRNJTMLA-UHFFFAOYSA-N -1 3 364.320 3.023 20 0 FGADHM Cc1cc(-c2nc(-c3ccc4n[n-]nc4c3)no2)nn1-c1ccc(F)cc1 ZINC000569542639 505958846 /nfs/dbraw/zinc/95/88/46/505958846.db2.gz BWCSITKVBZXEDM-UHFFFAOYSA-N -1 3 361.340 3.308 20 0 FGADHM O=C(Nc1ccc(OC(F)(F)F)cc1[O-])c1coc(C2CCOCC2)n1 ZINC000581318042 505959518 /nfs/dbraw/zinc/95/95/18/505959518.db2.gz FDKQLCCKVAHDQN-UHFFFAOYSA-N -1 3 372.299 3.425 20 0 FGADHM C[C@@H]1C[C@@H](NC(=O)c2c(F)ccc([O-])c2F)CCN1Cc1ccccc1 ZINC000281012899 497988223 /nfs/dbraw/zinc/98/82/23/497988223.db2.gz NPLMUUDGPPWILI-HIFRSBDPSA-N -1 3 360.404 3.453 20 0 FGADHM Cc1ccccc1[C@@H](C)NC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000292399633 498001050 /nfs/dbraw/zinc/00/10/50/498001050.db2.gz LSXGWPDVRNHFOI-ZIAGYGMSSA-N -1 3 371.403 3.156 20 0 FGADHM COC(C)(C)c1nc(-c2nnc(-c3cccc(Br)c3)[n-]2)no1 ZINC000289075357 498005000 /nfs/dbraw/zinc/00/50/00/498005000.db2.gz JGAPGMVRYDVLPA-UHFFFAOYSA-N -1 3 364.203 3.166 20 0 FGADHM COC(C)(C)c1nc(-c2nc(-c3cccc(Br)c3)n[n-]2)no1 ZINC000289075357 498005010 /nfs/dbraw/zinc/00/50/10/498005010.db2.gz JGAPGMVRYDVLPA-UHFFFAOYSA-N -1 3 364.203 3.166 20 0 FGADHM COC(C)(C)c1nc(-c2n[n-]c(-c3cccc(Br)c3)n2)no1 ZINC000289075357 498005021 /nfs/dbraw/zinc/00/50/21/498005021.db2.gz JGAPGMVRYDVLPA-UHFFFAOYSA-N -1 3 364.203 3.166 20 0 FGADHM O=C(Cc1csc2ccc(Br)cc12)[N-]OC[C@@H]1CCOC1 ZINC000281129537 498029687 /nfs/dbraw/zinc/02/96/87/498029687.db2.gz GRFZHRPNMFQQOG-SNVBAGLBSA-N -1 3 370.268 3.291 20 0 FGADHM CCCC(=O)Nc1cccc(NC([O-])=NOC(C)(C)C(=O)OCC)c1C ZINC000296418055 498035394 /nfs/dbraw/zinc/03/53/94/498035394.db2.gz JTYFKVSDHYINFG-UHFFFAOYSA-N -1 3 365.430 3.128 20 0 FGADHM CCCC(=O)Nc1cccc(NC(=O)[N-]OC(C)(C)C(=O)OCC)c1C ZINC000296418055 498035401 /nfs/dbraw/zinc/03/54/01/498035401.db2.gz JTYFKVSDHYINFG-UHFFFAOYSA-N -1 3 365.430 3.128 20 0 FGADHM COc1cnc([N-]S(=O)(=O)c2ccc(C)cc2C)c(Br)c1 ZINC000578574530 505971064 /nfs/dbraw/zinc/97/10/64/505971064.db2.gz PAHPPNJZWOBOGG-UHFFFAOYSA-N -1 3 371.256 3.270 20 0 FGADHM COc1cccc(C2(c3noc(Cc4c(C)nc(C)[n-]c4=O)n3)CCC2)c1 ZINC000350350538 498085149 /nfs/dbraw/zinc/08/51/49/498085149.db2.gz DADDZZXHRYKIFG-UHFFFAOYSA-N -1 3 366.421 3.251 20 0 FGADHM COc1ccc2ccccc2c1-c1cc(CN2CC[C@H](C(=O)[O-])C2)on1 ZINC000569611093 505976130 /nfs/dbraw/zinc/97/61/30/505976130.db2.gz CDIVIYNCHBMDGF-AWEZNQCLSA-N -1 3 352.390 3.410 20 0 FGADHM Cc1cc(C(=O)Nc2ccc(C)c(S(=O)(=O)NC3CC3)c2C)ccc1[O-] ZINC000292626303 498085442 /nfs/dbraw/zinc/08/54/42/498085442.db2.gz JNOSAKRHZBASGU-UHFFFAOYSA-N -1 3 374.462 3.010 20 0 FGADHM O=S(=O)(N[C@@H]1CCCc2cn(C3CCCC3)nc21)c1ccc([O-])cc1 ZINC000572477268 505978182 /nfs/dbraw/zinc/97/81/82/505978182.db2.gz BBQIEZSHNFLLHM-QGZVFWFLSA-N -1 3 361.467 3.060 20 0 FGADHM CCC[C@@H](OC)c1noc([C@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000296572322 498101779 /nfs/dbraw/zinc/10/17/79/498101779.db2.gz VFSVZCFZUIVQGF-GXFFZTMASA-N -1 3 373.862 3.250 20 0 FGADHM Cc1cc(C(=O)N2CCC23CCN(C(=O)OC(C)(C)C)CC3)ccc1[O-] ZINC000292692502 498111524 /nfs/dbraw/zinc/11/15/24/498111524.db2.gz BXSAYHGPDFLSPR-UHFFFAOYSA-N -1 3 360.454 3.316 20 0 FGADHM CN1CC[C@@H](NCc2cc(=O)oc3cc([O-])ccc23)[C@@H]1c1ccccc1 ZINC000289344507 498114086 /nfs/dbraw/zinc/11/40/86/498114086.db2.gz GIAJPVSKOAEQMR-NQIIRXRSSA-N -1 3 350.418 3.034 20 0 FGADHM COc1cccc(-c2nc(COc3c(OC)cccc3OC)no2)c1[O-] ZINC000350566993 498116464 /nfs/dbraw/zinc/11/64/64/498116464.db2.gz KXRXZVMPEBPXTK-UHFFFAOYSA-N -1 3 358.350 3.047 20 0 FGADHM CC(C)(C)c1ccc(NC(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)c([O-])c1 ZINC000330395674 498124780 /nfs/dbraw/zinc/12/47/80/498124780.db2.gz JYTVKJLKMXIRBW-SNVBAGLBSA-N -1 3 358.360 3.039 20 0 FGADHM O=C([N-]C[C@@H]1CCCN(Cc2cccc(OC(F)F)c2)C1)C(F)(F)F ZINC000289400247 498133372 /nfs/dbraw/zinc/13/33/72/498133372.db2.gz FQYNGKAVDSQVOR-LBPRGKRZSA-N -1 3 366.330 3.179 20 0 FGADHM O=S(=O)([N-][C@H]1CCOC2(CCC2)C1)c1ccc(Cl)cc1Cl ZINC000281398264 498135778 /nfs/dbraw/zinc/13/57/78/498135778.db2.gz HMWCFXJGXDRRHN-NSHDSACASA-N -1 3 350.267 3.373 20 0 FGADHM Cc1cc(S(=O)(=O)[N-][C@@H](c2nccs2)C(F)(F)F)c(C)s1 ZINC000292811467 498155381 /nfs/dbraw/zinc/15/53/81/498155381.db2.gz NFWNTKQSHNOBNF-VIFPVBQESA-N -1 3 356.416 3.403 20 0 FGADHM COC(=O)c1nc[n-]c1NC(=O)C[C@H](C)c1ccc(Br)cc1 ZINC000581437429 505988735 /nfs/dbraw/zinc/98/87/35/505988735.db2.gz LPEZUDUDSSXYSJ-VIFPVBQESA-N -1 3 366.215 3.091 20 0 FGADHM COC(=O)c1[n-]cnc1NC(=O)C[C@H](C)c1ccc(Br)cc1 ZINC000581437429 505988737 /nfs/dbraw/zinc/98/87/37/505988737.db2.gz LPEZUDUDSSXYSJ-VIFPVBQESA-N -1 3 366.215 3.091 20 0 FGADHM CC(C)[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)CCO1 ZINC000330634305 498164370 /nfs/dbraw/zinc/16/43/70/498164370.db2.gz SYXHHXLRSXDSLT-AAEUAGOBSA-N -1 3 352.283 3.475 20 0 FGADHM C[C@@H]1C[C@H](C[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CCO1 ZINC000330639682 498165352 /nfs/dbraw/zinc/16/53/52/498165352.db2.gz PGXFPJXUGANZLQ-NXEZZACHSA-N -1 3 371.808 3.452 20 0 FGADHM CCc1ccc(S(=O)(=O)[N-][C@H](c2nccs2)C(F)(F)F)cc1 ZINC000292841178 498165565 /nfs/dbraw/zinc/16/55/65/498165565.db2.gz PPNURAXUSIYZSQ-LLVKDONJSA-N -1 3 350.387 3.287 20 0 FGADHM C[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CCO1 ZINC000330645605 498166057 /nfs/dbraw/zinc/16/60/57/498166057.db2.gz TZFITUDZTQKXLF-ZJUUUORDSA-N -1 3 371.808 3.452 20 0 FGADHM [O-]c1cc(CNc2cccnc2N2CCC(O)CC2)cc(C(F)(F)F)c1 ZINC000289502741 498170051 /nfs/dbraw/zinc/17/00/51/498170051.db2.gz MHEFWBMUWSDTEM-UHFFFAOYSA-N -1 3 367.371 3.379 20 0 FGADHM NC(=O)C1CCC([N-]S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000330671570 498171000 /nfs/dbraw/zinc/17/10/00/498171000.db2.gz FINVPOAESOWBOG-UHFFFAOYSA-N -1 3 351.255 3.366 20 0 FGADHM CCS[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cccnc2C(F)(F)F)C1 ZINC000330673423 498171841 /nfs/dbraw/zinc/17/18/41/498171841.db2.gz PFWKRCUIPKRBOF-GHMZBOCLSA-N -1 3 368.446 3.443 20 0 FGADHM O=C([N-]CC1CCN(Cc2ncc(-c3ccccc3)o2)CC1)C(F)(F)F ZINC000281500586 498172007 /nfs/dbraw/zinc/17/20/07/498172007.db2.gz YATCTPHSMDGXPL-UHFFFAOYSA-N -1 3 367.371 3.232 20 0 FGADHM CCC(CC)[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)CCO1 ZINC000330731993 498182165 /nfs/dbraw/zinc/18/21/65/498182165.db2.gz JCNJMTUAGGHYFI-NHYWBVRUSA-N -1 3 365.417 3.366 20 0 FGADHM CCc1cc(C(=O)N[C@H](Cc2nc(C)no2)c2ccccc2)ccc1[O-] ZINC000292881418 498182609 /nfs/dbraw/zinc/18/26/09/498182609.db2.gz MBZGYQGFVSYLMR-QGZVFWFLSA-N -1 3 351.406 3.360 20 0 FGADHM C[C@H]1C[C@H](c2ccccc2)CN1C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000330805517 498196859 /nfs/dbraw/zinc/19/68/59/498196859.db2.gz LUKCFGNPXMUDQH-YOEHRIQHSA-N -1 3 358.463 3.076 20 0 FGADHM O=C([N-]CC1CCN(C(=O)C2(c3ccccc3)CCC2)CC1)C(F)(F)F ZINC000281583305 498201887 /nfs/dbraw/zinc/20/18/87/498201887.db2.gz BOVFDBSDCYRLMD-UHFFFAOYSA-N -1 3 368.399 3.025 20 0 FGADHM CCc1noc(C)c1CNCc1ccc(OC)c([O-])c1Br ZINC000292979688 498221304 /nfs/dbraw/zinc/22/13/04/498221304.db2.gz MXVYUJKDZUJBCX-UHFFFAOYSA-N -1 3 355.232 3.312 20 0 FGADHM O=C([O-])c1sc2cccc(F)c2c1CN1CCC[C@H](n2cncn2)C1 ZINC000581493987 506000788 /nfs/dbraw/zinc/00/07/88/506000788.db2.gz RHDPYGLHJWMIHL-NSHDSACASA-N -1 3 360.414 3.167 20 0 FGADHM O=c1cc(CN[C@@]2(Cc3ccc(Cl)cc3)CCOC2)nc(C2CC2)[n-]1 ZINC000578722747 506005757 /nfs/dbraw/zinc/00/57/57/506005757.db2.gz WFPGLCKBPQNYIB-LJQANCHMSA-N -1 3 359.857 3.204 20 0 FGADHM CCc1nc(C)c(C[N-]S(=O)(=O)c2cccc3c(Cl)ccnc32)o1 ZINC000296915789 498250013 /nfs/dbraw/zinc/25/00/13/498250013.db2.gz FKRVWBGYCLJNFT-UHFFFAOYSA-N -1 3 365.842 3.226 20 0 FGADHM Cc1ccc(SCC(F)(F)F)c(NC([O-])=NOC(C)(C)CO)c1 ZINC000296968577 498270458 /nfs/dbraw/zinc/27/04/58/498270458.db2.gz SIKFCTFXULCZBK-UHFFFAOYSA-N -1 3 352.378 3.473 20 0 FGADHM Cc1ccc(SCC(F)(F)F)c(NC(=O)[N-]OC(C)(C)CO)c1 ZINC000296968577 498270465 /nfs/dbraw/zinc/27/04/65/498270465.db2.gz SIKFCTFXULCZBK-UHFFFAOYSA-N -1 3 352.378 3.473 20 0 FGADHM CCc1cc2c(CN3CC[C@@H](n4cc(C)cn4)C3)cc(=O)oc2cc1[O-] ZINC000289754323 498277618 /nfs/dbraw/zinc/27/76/18/498277618.db2.gz FOPXATVTBWUQAP-MRXNPFEDSA-N -1 3 353.422 3.013 20 0 FGADHM CC(C)(CC(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1)C(F)(F)F ZINC000331243634 498283472 /nfs/dbraw/zinc/28/34/72/498283472.db2.gz QFFVRTIYUWBLJZ-UHFFFAOYSA-N -1 3 372.387 3.092 20 0 FGADHM C[C@H]1CN(Cc2ccccc2NC([O-])=NOC/C=C/Cl)C[C@H](C)O1 ZINC000289800825 498298941 /nfs/dbraw/zinc/29/89/41/498298941.db2.gz KWSRSGBEGUKMNG-NSDHSQQOSA-N -1 3 353.850 3.101 20 0 FGADHM C[C@H]1CN(Cc2ccccc2NC(=O)[N-]OC/C=C/Cl)C[C@H](C)O1 ZINC000289800825 498298948 /nfs/dbraw/zinc/29/89/48/498298948.db2.gz KWSRSGBEGUKMNG-NSDHSQQOSA-N -1 3 353.850 3.101 20 0 FGADHM CC[C@@H]1C[C@@H](CC(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)CCO1 ZINC000360715830 498301442 /nfs/dbraw/zinc/30/14/42/498301442.db2.gz GZUYNXGLNJWWSF-WMLDXEAASA-N -1 3 355.438 3.279 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CC[C@](C)(c3ccc(C)cc3)C2)c1 ZINC000331331057 498302744 /nfs/dbraw/zinc/30/27/44/498302744.db2.gz HSGYXLOSTSYUBA-NRFANRHFSA-N -1 3 352.434 3.463 20 0 FGADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCO[C@@H](c3ccncc3)C2)sc1Cl ZINC000569781815 506014743 /nfs/dbraw/zinc/01/47/43/506014743.db2.gz XGUSLBCGMPBPKT-CHWSQXEVSA-N -1 3 372.899 3.304 20 0 FGADHM Cc1c(-n2c([O-])c(CC(F)(F)F)[nH]c2=O)cnn1-c1ccc(Cl)cc1 ZINC000289851508 498322282 /nfs/dbraw/zinc/32/22/82/498322282.db2.gz FPEDQDULQNHHCC-NSHDSACASA-N -1 3 372.734 3.211 20 0 FGADHM O=C(NCc1ncccc1[O-])Nc1cc(F)c(F)cc1N1CCCCC1 ZINC000575841882 506015533 /nfs/dbraw/zinc/01/55/33/506015533.db2.gz NJUOCUCFKFGPOU-UHFFFAOYSA-N -1 3 362.380 3.377 20 0 FGADHM CCc1cc(CC)nc(N2CCC(C(=O)Nc3ccccc3[O-])CC2)n1 ZINC000286232771 498332874 /nfs/dbraw/zinc/33/28/74/498332874.db2.gz UGSBQCBHJIVFEM-UHFFFAOYSA-N -1 3 354.454 3.162 20 0 FGADHM Cc1scc(C(=O)NC2CCN(C(=O)c3cccc([O-])c3)CC2)c1C ZINC000361030184 498334389 /nfs/dbraw/zinc/33/43/89/498334389.db2.gz LCCNFUFBVUKQCV-UHFFFAOYSA-N -1 3 358.463 3.105 20 0 FGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)c2ccc3c(c2)CCCC3=O)c1 ZINC000293291579 498335414 /nfs/dbraw/zinc/33/54/14/498335414.db2.gz IRRVOJXLQCBMSQ-UHFFFAOYSA-N -1 3 372.446 3.138 20 0 FGADHM O=S(=O)(c1ccc(NC([O-])=NOC/C=C/Cl)cc1)C1CCCC1 ZINC000289912122 498350477 /nfs/dbraw/zinc/35/04/77/498350477.db2.gz RRXIWFRRJVXDRN-XCVCLJGOSA-N -1 3 358.847 3.209 20 0 FGADHM O=C([N-]OC/C=C/Cl)Nc1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000289912122 498350485 /nfs/dbraw/zinc/35/04/85/498350485.db2.gz RRXIWFRRJVXDRN-XCVCLJGOSA-N -1 3 358.847 3.209 20 0 FGADHM Cc1nccn1CCCCN=c1ncc2scc(Br)c2[n-]1 ZINC000578786361 506020463 /nfs/dbraw/zinc/02/04/63/506020463.db2.gz IEXUIAHJJIZDAQ-UHFFFAOYSA-N -1 3 366.288 3.273 20 0 FGADHM CCOc1cc(-c2noc(CCCn3c(C)cc(=O)cc3C)n2)ccc1[O-] ZINC000289925835 498355517 /nfs/dbraw/zinc/35/55/17/498355517.db2.gz WDVGYENBEKWEBR-UHFFFAOYSA-N -1 3 369.421 3.252 20 0 FGADHM C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)N=c2cc(OC(F)F)n(C)[n-]2)C1 ZINC000331559140 498373025 /nfs/dbraw/zinc/37/30/25/498373025.db2.gz PGUFKLPCRRWAOL-MFKMUULPSA-N -1 3 368.359 3.198 20 0 FGADHM CO[C@@H](C)CS(=O)(=O)[N-]c1ccc(SCc2cccnc2)cc1 ZINC000282143567 498397520 /nfs/dbraw/zinc/39/75/20/498397520.db2.gz DVMSZGVVURBWDM-ZDUSSCGKSA-N -1 3 352.481 3.151 20 0 FGADHM C[C@H]1CN(C(=O)c2cc(=O)c3ccccc3[n-]2)C[C@@H](c2ccc(F)cc2)O1 ZINC000361488852 498399221 /nfs/dbraw/zinc/39/92/21/498399221.db2.gz ABIZEAWMLMBZQE-RBZFPXEDSA-N -1 3 366.392 3.269 20 0 FGADHM CN(C)Cc1ccc(S(=O)(=O)[N-]c2ncc(C(C)(C)C)s2)cc1 ZINC000569832501 506027416 /nfs/dbraw/zinc/02/74/16/506027416.db2.gz VGLHOYHRDYJPOK-UHFFFAOYSA-N -1 3 353.513 3.303 20 0 FGADHM O=C(N[C@H]1CCO[C@H](c2ccncc2)C1)c1cc2c(cc1[O-])CCCC2 ZINC000572697190 506031294 /nfs/dbraw/zinc/03/12/94/506031294.db2.gz JEFLIXJICMRRMP-PXNSSMCTSA-N -1 3 352.434 3.316 20 0 FGADHM Cc1nc2sc(-c3ccccc3)cc2c(N(C)C[C@@H](C)c2nnn[n-]2)n1 ZINC000302175540 498429081 /nfs/dbraw/zinc/42/90/81/498429081.db2.gz WEDKXTZWQCMZEK-LLVKDONJSA-N -1 3 365.466 3.420 20 0 FGADHM Cc1nc2sc(-c3ccccc3)cc2c(N(C)C[C@@H](C)c2nn[n-]n2)n1 ZINC000302175540 498429089 /nfs/dbraw/zinc/42/90/89/498429089.db2.gz WEDKXTZWQCMZEK-LLVKDONJSA-N -1 3 365.466 3.420 20 0 FGADHM COc1ccccc1-c1nc(C2CCN(Cc3ncccc3[O-])CC2)no1 ZINC000569856494 506032899 /nfs/dbraw/zinc/03/28/99/506032899.db2.gz ODQQHYIAQVLNLF-UHFFFAOYSA-N -1 3 366.421 3.225 20 0 FGADHM O=C(NCc1ccc([O-])c(Br)c1)N1CC[C@@H](CC2CC2)C1 ZINC000578842062 506033902 /nfs/dbraw/zinc/03/39/02/506033902.db2.gz HFICTGPRNSWKTA-ZDUSSCGKSA-N -1 3 353.260 3.486 20 0 FGADHM C[C@@H](c1nc2ccccc2o1)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000290153858 498444717 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FGADHM Cc1noc(C)c1C[N-]C(=O)C(F)(F)c1ccccc1Br ZINC000294473254 498703442 /nfs/dbraw/zinc/70/34/42/498703442.db2.gz IUXGSERNIJHZNG-UHFFFAOYSA-N -1 3 359.170 3.462 20 0 FGADHM Cc1cc(C)c(C(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)c(C)c1 ZINC000332517130 498709982 /nfs/dbraw/zinc/70/99/82/498709982.db2.gz HXJNYGNUMUFZOD-UHFFFAOYSA-N -1 3 366.461 3.352 20 0 FGADHM CCc1ccc([O-])c(C(=O)N2CCC(C(=O)NC3CCCCC3)CC2)c1 ZINC000332537736 498717733 /nfs/dbraw/zinc/71/77/33/498717733.db2.gz ALQSHODAQZGMGO-UHFFFAOYSA-N -1 3 358.482 3.256 20 0 FGADHM CC[C@@H](C)NC(=O)[C@H](C)NC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000303870481 498724783 /nfs/dbraw/zinc/72/47/83/498724783.db2.gz XODZVPQINQUFTR-CABCVRRESA-N -1 3 370.449 3.004 20 0 FGADHM C[C@H]1CN(c2ccc(Cl)c(F)c2)CCN1C(=O)c1cccc2[n-]nnc21 ZINC000579041302 506080478 /nfs/dbraw/zinc/08/04/78/506080478.db2.gz ZVYGTPFCDDZDIP-NSHDSACASA-N -1 3 373.819 3.101 20 0 FGADHM C[C@H]1CN(c2ccc(Cl)c(F)c2)CCN1C(=O)c1cccc2nn[n-]c21 ZINC000579041302 506080480 /nfs/dbraw/zinc/08/04/80/506080480.db2.gz ZVYGTPFCDDZDIP-NSHDSACASA-N -1 3 373.819 3.101 20 0 FGADHM C[C@H]1CN(c2ccc(Cl)c(F)c2)CCN1C(=O)c1cccc2n[n-]nc21 ZINC000579041302 506080484 /nfs/dbraw/zinc/08/04/84/506080484.db2.gz ZVYGTPFCDDZDIP-NSHDSACASA-N -1 3 373.819 3.101 20 0 FGADHM Cc1nc(C)c(CCC(=O)N[C@@H](C)c2ccccc2OC(F)F)c(=O)[n-]1 ZINC000298315812 498730993 /nfs/dbraw/zinc/73/09/93/498730993.db2.gz DRVCDDORZNWFGG-JTQLQIEISA-N -1 3 365.380 3.210 20 0 FGADHM COc1cccc2c1n[n-]c2C(=O)Nc1ccc(NC(=O)C(C)C)cc1 ZINC000579052793 506082399 /nfs/dbraw/zinc/08/23/99/506082399.db2.gz AGIYKANQJURNHF-UHFFFAOYSA-N -1 3 352.394 3.418 20 0 FGADHM COc1cccc2c(C(=O)Nc3ccc(NC(=O)C(C)C)cc3)n[n-]c21 ZINC000579052793 506082404 /nfs/dbraw/zinc/08/24/04/506082404.db2.gz AGIYKANQJURNHF-UHFFFAOYSA-N -1 3 352.394 3.418 20 0 FGADHM CCN(CC)[C@@H](CNC(=O)c1s[n-]c(=O)c1Cl)c1ccsc1 ZINC000283069179 498768233 /nfs/dbraw/zinc/76/82/33/498768233.db2.gz POYSQKCGQCAIMR-JTQLQIEISA-N -1 3 359.904 3.377 20 0 FGADHM 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CC(C)c1cc(C(=O)NC[C@H]2CCCN(C(N)=O)C2)c([O-])c(C(C)C)c1 ZINC000287981411 498917633 /nfs/dbraw/zinc/91/76/33/498917633.db2.gz BPRJNJBBLDOQDO-CQSZACIVSA-N -1 3 361.486 3.160 20 0 FGADHM CCOc1cc(CN[C@H](C)c2cnn(C)c2)cc(Br)c1[O-] ZINC000291393660 498922075 /nfs/dbraw/zinc/92/20/75/498922075.db2.gz CWYLZNZHTFQYHP-SNVBAGLBSA-N -1 3 354.248 3.138 20 0 FGADHM COc1ccc([O-])c(C(=O)N2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)c1 ZINC000288036387 498930104 /nfs/dbraw/zinc/93/01/04/498930104.db2.gz TYUZKLXFOROYBD-GUDVDZBRSA-N -1 3 353.418 3.046 20 0 FGADHM C[C@@H]1CC[C@]2(CCN(C(=O)[C@@H]3CCCN3C(=O)c3ccccc3[O-])C2)C1 ZINC000333213879 498939258 /nfs/dbraw/zinc/93/92/58/498939258.db2.gz CASDUDBCFSDHBA-KUDFPVQQSA-N -1 3 356.466 3.036 20 0 FGADHM COc1cc(C(=O)N[C@H](C)CCOCc2ccccc2)cc(OC)c1[O-] ZINC000288154122 498955039 /nfs/dbraw/zinc/95/50/39/498955039.db2.gz JWRSQWXAHDANCN-CQSZACIVSA-N -1 3 359.422 3.135 20 0 FGADHM CC[C@@H]1CN(C(=O)c2cc([O-])c3ccccc3c2)C[C@]2(CCCOC2)O1 ZINC000366523517 498963918 /nfs/dbraw/zinc/96/39/18/498963918.db2.gz BHBVPMDHYBUCCX-UTKZUKDTSA-N -1 3 355.434 3.346 20 0 FGADHM CN(Cc1nnc(-c2ccc(Cl)cc2)n1C)C1(C(=O)[O-])CCCCC1 ZINC000570226251 506119737 /nfs/dbraw/zinc/11/97/37/506119737.db2.gz PTEKPQBXPKQULZ-UHFFFAOYSA-N -1 3 362.861 3.355 20 0 FGADHM Cc1cccc([C@H](NC(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)C(F)(F)F)c1 ZINC000576279278 506120035 /nfs/dbraw/zinc/12/00/35/506120035.db2.gz ABAGFYKHCTVOQR-HIFRSBDPSA-N -1 3 368.359 3.417 20 0 FGADHM O=C1[N-]C(=O)N2CCN(Cc3cnc(-c4ccc(Cl)cc4)s3)C[C@H]12 ZINC000328875780 498969854 /nfs/dbraw/zinc/96/98/54/498969854.db2.gz GAXBZFUEGZHXAJ-CYBMUJFWSA-N -1 3 362.842 3.040 20 0 FGADHM O=S(=O)(C[C@H]1CCCC1(F)F)[N-]Cc1coc(-c2ccccc2)n1 ZINC000295321324 498978386 /nfs/dbraw/zinc/97/83/86/498978386.db2.gz WLHUYFVHTLQTDU-CYBMUJFWSA-N -1 3 356.394 3.196 20 0 FGADHM COc1ccccc1/C=C/CN1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000291533805 498979980 /nfs/dbraw/zinc/97/99/80/498979980.db2.gz KOUOZQDGBGMINY-GPAKFWEMSA-N -1 3 356.388 3.099 20 0 FGADHM O=c1c(Sc2n[n-]c(-c3ccc(Cl)cc3)n2)nccn1C(F)F ZINC000570240372 506122134 /nfs/dbraw/zinc/12/21/34/506122134.db2.gz VLFMFHUCCXRHQL-UHFFFAOYSA-N -1 3 355.757 3.228 20 0 FGADHM C[C@@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000328963203 499000111 /nfs/dbraw/zinc/00/01/11/499000111.db2.gz RFEAQSXQIHZWGE-KRTXAFLBSA-N -1 3 356.209 3.082 20 0 FGADHM COC[C@@H]1CCCCN(C(=O)NCc2ccc([O-])c(Br)c2)C1 ZINC000363812740 499005571 /nfs/dbraw/zinc/00/55/71/499005571.db2.gz DXEZVQYNMRDYOT-CYBMUJFWSA-N -1 3 371.275 3.113 20 0 FGADHM CCC[C@@H](C)[C@@H](CO)[N-]S(=O)(=O)c1ccc(-c2csc(C)n2)s1 ZINC000582067166 506126053 /nfs/dbraw/zinc/12/60/53/506126053.db2.gz ISJBROAUZXGSMB-ZYHUDNBSSA-N -1 3 374.553 3.255 20 0 FGADHM COc1cccc(-n2cc(C(=O)N3CC[C@@H](C)c4cccc([O-])c43)nn2)c1 ZINC000295407750 499008842 /nfs/dbraw/zinc/00/88/42/499008842.db2.gz SKFAURDEMKFCHZ-CYBMUJFWSA-N -1 3 364.405 3.136 20 0 FGADHM Cn1c2cc([O-])c(NC(=O)CC3CC(c4ccccc4)C3)cc2n(C)c1=O ZINC000291644104 499021582 /nfs/dbraw/zinc/02/15/82/499021582.db2.gz VYJJHYIXXRLZGZ-UHFFFAOYSA-N -1 3 365.433 3.105 20 0 FGADHM O=C(CCc1ccc2ccccc2c1[O-])N1CCC[C@H](Cn2ccnn2)C1 ZINC000295478883 499029800 /nfs/dbraw/zinc/02/98/00/499029800.db2.gz PKWMKFPCMPYJEQ-INIZCTEOSA-N -1 3 364.449 3.008 20 0 FGADHM CN(C)C(=O)[C@@H](c1ccccc1)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000363865697 499030674 /nfs/dbraw/zinc/03/06/74/499030674.db2.gz NZYPREMFKUVSDW-HXUWFJFHSA-N -1 3 366.461 3.394 20 0 FGADHM CC(C)(C)[C@@H]1NC(=O)CC[C@H]1[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000329099521 499041745 /nfs/dbraw/zinc/04/17/45/499041745.db2.gz ZFBVLCYSRZHZDX-QMTHXVAHSA-N -1 3 362.854 3.291 20 0 FGADHM CCCN(C)c1ccc(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)cc1 ZINC000299448087 499062222 /nfs/dbraw/zinc/06/22/22/499062222.db2.gz VKAGZSCVVJHUJB-UHFFFAOYSA-N -1 3 361.467 3.157 20 0 FGADHM O=C(CC1(C(=O)[O-])CCCC1)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000299460384 499065689 /nfs/dbraw/zinc/06/56/89/499065689.db2.gz YMBYVVIYJBDKBA-OAHLLOKOSA-N -1 3 364.511 3.111 20 0 FGADHM C[C@@]1(C[C@@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)NC(=O)[N-]C1=O ZINC000329187586 499066279 /nfs/dbraw/zinc/06/62/79/499066279.db2.gz GXIMQGXAYGCYAN-SJEHZWBNSA-N -1 3 359.470 3.227 20 0 FGADHM O=C(Nc1nnc(-c2ccccn2)[n-]1)[C@H]1CCOc2ccc(Cl)cc21 ZINC000363969002 499071631 /nfs/dbraw/zinc/07/16/31/499071631.db2.gz GBTGVKPADQBVGN-NSHDSACASA-N -1 3 355.785 3.025 20 0 FGADHM O=C(Nc1nc(-c2ccccn2)n[n-]1)[C@H]1CCOc2ccc(Cl)cc21 ZINC000363969002 499071638 /nfs/dbraw/zinc/07/16/38/499071638.db2.gz GBTGVKPADQBVGN-NSHDSACASA-N -1 3 355.785 3.025 20 0 FGADHM O=C(Nc1n[n-]c(-c2ccccn2)n1)[C@H]1CCOc2ccc(Cl)cc21 ZINC000363969002 499071643 /nfs/dbraw/zinc/07/16/43/499071643.db2.gz GBTGVKPADQBVGN-NSHDSACASA-N -1 3 355.785 3.025 20 0 FGADHM COc1ccccc1[C@H](C[N-]S(=O)(=O)CCC(F)(F)F)OC(C)C ZINC000284269672 499079846 /nfs/dbraw/zinc/07/98/46/499079846.db2.gz LJQCDNMQOFIETF-AWEZNQCLSA-N -1 3 369.405 3.033 20 0 FGADHM Cc1nn(C)c(OCC(F)(F)F)c1CN[C@H](CC(=O)[O-])CC(C)(C)C ZINC000284272831 499080902 /nfs/dbraw/zinc/08/09/02/499080902.db2.gz PUKSKFZITDBSCN-LLVKDONJSA-N -1 3 365.396 3.039 20 0 FGADHM C(N=c1nc(C2CCCC2)[n-]s1)C1(N2CCCCC2)CCOCC1 ZINC000333839634 499085415 /nfs/dbraw/zinc/08/54/15/499085415.db2.gz KWJLHURYCVAYOL-UHFFFAOYSA-N -1 3 350.532 3.065 20 0 FGADHM Cc1cc(CNC(=O)c2cc(=O)c3ccccc3[n-]2)cc(N2CCCC2)n1 ZINC000291903850 499098460 /nfs/dbraw/zinc/09/84/60/499098460.db2.gz LGPVTIUSTNGRNW-UHFFFAOYSA-N -1 3 362.433 3.174 20 0 FGADHM C[C@@H]1CC[C@@]2(CCN(C(=O)c3cccc([C@@]4(C)NC(=O)[N-]C4=O)c3)C2)C1 ZINC000329324630 499100015 /nfs/dbraw/zinc/10/00/15/499100015.db2.gz VRCMYLQAZMFKCP-SMHULIPUSA-N -1 3 355.438 3.438 20 0 FGADHM Cc1nc([C@@H]2CCCN2Cc2nc3c4ccccc4oc3c(=O)[n-]2)no1 ZINC000329333901 499102137 /nfs/dbraw/zinc/10/21/37/499102137.db2.gz XENDRYIPAWQPOX-LBPRGKRZSA-N -1 3 351.366 3.110 20 0 FGADHM Cc1c(-c2ccncc2)[n-][nH]c1=NC(=O)c1cc(Cl)c(N)c(Cl)c1 ZINC000367054073 499140089 /nfs/dbraw/zinc/14/00/89/499140089.db2.gz VKHJDZNEWZRKFA-UHFFFAOYSA-N -1 3 362.220 3.343 20 0 FGADHM O=c1nc(CN2CCC3(CCO3)CC2)[n-]c2scc(-c3ccco3)c21 ZINC000367108383 499149892 /nfs/dbraw/zinc/14/98/92/499149892.db2.gz QMXXNEDEGIFOFG-UHFFFAOYSA-N -1 3 357.435 3.412 20 0 FGADHM O=C(NC1CCN(C(=O)c2cccc([O-])c2)CC1)N(C1CC1)C1CCCC1 ZINC000370003685 499164493 /nfs/dbraw/zinc/16/44/93/499164493.db2.gz AEFHYJAZKCAYOE-UHFFFAOYSA-N -1 3 371.481 3.113 20 0 FGADHM COc1cc(C(=O)N2CCC[C@@]3(C2)OCc2ccccc23)cc(OC)c1[O-] ZINC000372808411 499178169 /nfs/dbraw/zinc/17/81/69/499178169.db2.gz XXQUCMSHQSBKKG-NRFANRHFSA-N -1 3 369.417 3.071 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N[C@H]3CCc4ccccc4OC3)c[n-]c12 ZINC000367344188 499184932 /nfs/dbraw/zinc/18/49/32/499184932.db2.gz UQSUINZZMJDZLX-HNNXBMFYSA-N -1 3 366.392 3.099 20 0 FGADHM O=C(c1cc(OCc2ccccc2)ccc1[O-])N1CC2(C1)CCCOC2 ZINC000370680681 499243629 /nfs/dbraw/zinc/24/36/29/499243629.db2.gz KFKDTPWMHIBBOB-UHFFFAOYSA-N -1 3 353.418 3.224 20 0 FGADHM CC(C)[C@@]1(CO)CCN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)C1 ZINC000368071039 499261199 /nfs/dbraw/zinc/26/11/99/499261199.db2.gz SGBRBDROOPUAEB-IBGZPJMESA-N -1 3 373.478 3.497 20 0 FGADHM Cc1nc(C(=O)N=c2[nH][n-]c(-c3ccncc3)c2C)c(-c2ccccc2)o1 ZINC000368190999 499272990 /nfs/dbraw/zinc/27/29/90/499272990.db2.gz XTMXINDMGPEBCQ-UHFFFAOYSA-N -1 3 359.389 3.418 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N3CCC4(CCOCC4)[C@@H]3C)c[n-]c12 ZINC000368309740 499284190 /nfs/dbraw/zinc/28/41/90/499284190.db2.gz HBHBVQXBZBWSCZ-ZDUSSCGKSA-N -1 3 358.413 3.007 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NC23CCC(CC2)C3)c1 ZINC000368325685 499285655 /nfs/dbraw/zinc/28/56/55/499285655.db2.gz BXNMQSTTYNYWGC-UHFFFAOYSA-N -1 3 355.394 3.003 20 0 FGADHM CCn1nc(C)c(CC(=O)Nc2cccc(-c3nc(C)cc(=O)[n-]3)c2)c1C ZINC000368351004 499287836 /nfs/dbraw/zinc/28/78/36/499287836.db2.gz ZWNVAYDMFTUMKF-UHFFFAOYSA-N -1 3 365.437 3.172 20 0 FGADHM COc1cccc([C@H](NC(=O)/C=C/c2cncc([O-])c2)c2ccccn2)c1 ZINC000368714766 499324837 /nfs/dbraw/zinc/32/48/37/499324837.db2.gz KCGNLZJLJFPBNR-SHBDEGQCSA-N -1 3 361.401 3.110 20 0 FGADHM O=c1cc(CN2CC[C@@H](n3cc4ccccc4n3)C2)c2ccc([O-])cc2o1 ZINC000371658506 499351582 /nfs/dbraw/zinc/35/15/82/499351582.db2.gz BDWOHQYFCYTDGZ-MRXNPFEDSA-N -1 3 361.401 3.295 20 0 FGADHM CC(C)n1ncc2c1C[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1Cl)CC2 ZINC000368978379 499352862 /nfs/dbraw/zinc/35/28/62/499352862.db2.gz QVAWPANSOQPKQX-ZDUSSCGKSA-N -1 3 371.865 3.092 20 0 FGADHM CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(C(=O)c3cccc([O-])c3)C[C@@H]21 ZINC000371760825 499362595 /nfs/dbraw/zinc/36/25/95/499362595.db2.gz RCJUAEBKHLBLST-HYVNUMGLSA-N -1 3 360.454 3.158 20 0 FGADHM CCN1CC[C@@H](NC(=O)c2csc(=O)[n-]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000369296957 499388844 /nfs/dbraw/zinc/38/88/44/499388844.db2.gz BRIMFGRAILHEFW-TZMCWYRMSA-N -1 3 369.849 3.207 20 0 FGADHM CC[C@@H](C(=O)NC1CCN(C(=O)c2cccc([O-])c2)CC1)c1ccccc1 ZINC000372024816 499390925 /nfs/dbraw/zinc/39/09/25/499390925.db2.gz CTEONYDCYSKPCZ-HXUWFJFHSA-N -1 3 366.461 3.307 20 0 FGADHM C[C@@H](CC(=O)NC1CCN(C(=O)c2cccc([O-])c2)CC1)c1ccccc1 ZINC000372027490 499391029 /nfs/dbraw/zinc/39/10/29/499391029.db2.gz YIQZCBUJQYRTPP-INIZCTEOSA-N -1 3 366.461 3.307 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N3CCOC[C@@H]3c3ccccc3)c[n-]c12 ZINC000372034010 499391505 /nfs/dbraw/zinc/39/15/05/499391505.db2.gz RXZHSXJZCDAMDE-GOSISDBHSA-N -1 3 366.392 3.189 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N3CCOC[C@H]3c3ccccc3)c[n-]c12 ZINC000372034013 499391540 /nfs/dbraw/zinc/39/15/40/499391540.db2.gz RXZHSXJZCDAMDE-SFHVURJKSA-N -1 3 366.392 3.189 20 0 FGADHM Cc1nc(C)c(CCC(=O)N2CCC[C@H](COc3ccccc3)C2)c(=O)[n-]1 ZINC000369449001 499404476 /nfs/dbraw/zinc/40/44/76/499404476.db2.gz SSUSGMZHKDWHRT-KRWDZBQOSA-N -1 3 369.465 3.049 20 0 FGADHM O=C(Nc1cccc(NCC(F)(F)F)c1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000570343400 506145897 /nfs/dbraw/zinc/14/58/97/506145897.db2.gz PCUSXWXOGUERNE-UHFFFAOYSA-N -1 3 352.316 3.286 20 0 FGADHM Cc1c(-c2ccncc2)[n-][nH]c1=NC(=O)[C@@H](C)c1cn(C)c2ccccc12 ZINC000372328475 499421181 /nfs/dbraw/zinc/42/11/81/499421181.db2.gz ZQDMQLZHBXFQLG-ZDUSSCGKSA-N -1 3 359.433 3.436 20 0 FGADHM CON(C(=O)CCc1c(C)nc(C)[n-]c1=O)[C@@H]1CCCOc2ccccc21 ZINC000372333472 499421577 /nfs/dbraw/zinc/42/15/77/499421577.db2.gz OLPWWZCQRDOZQY-QGZVFWFLSA-N -1 3 371.437 3.036 20 0 FGADHM O=C(Nc1cccc([O-])c1F)[C@@H]1CS[C@@]2(c3ccccc3)CCC(=O)N12 ZINC000372364902 499425017 /nfs/dbraw/zinc/42/50/17/499425017.db2.gz HTGFLLGJZQKSJP-IFXJQAMLSA-N -1 3 372.421 3.061 20 0 FGADHM CCOc1cc(-c2noc(C3CCN(c4ncccn4)CC3)n2)ccc1[O-] ZINC000373195589 499456640 /nfs/dbraw/zinc/45/66/40/499456640.db2.gz KQIBMBCQMNXGGM-UHFFFAOYSA-N -1 3 367.409 3.015 20 0 FGADHM O=c1[n-]c(CN2CCC(O)(Cc3ccccc3F)CC2)nc2ccsc21 ZINC000373243697 499459536 /nfs/dbraw/zinc/45/95/36/499459536.db2.gz JFOYTUSPYDERGT-UHFFFAOYSA-N -1 3 373.453 3.106 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@H]2C[C@H]2c2ccc(F)cc2F)c1-c1ccncc1 ZINC000373417916 499468586 /nfs/dbraw/zinc/46/85/86/499468586.db2.gz OHDIJUVABCDHDL-GJZGRUSLSA-N -1 3 354.360 3.222 20 0 FGADHM Cc1onc(-c2ccccc2C)c1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000373487486 499472778 /nfs/dbraw/zinc/47/27/78/499472778.db2.gz CGYWIPKIUAYPEN-UHFFFAOYSA-N -1 3 360.377 3.391 20 0 FGADHM Cc1onc(-c2ccccc2C)c1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000373487486 499472779 /nfs/dbraw/zinc/47/27/79/499472779.db2.gz CGYWIPKIUAYPEN-UHFFFAOYSA-N -1 3 360.377 3.391 20 0 FGADHM [O-]c1cc(F)cc(CN2CCCC[C@H]2c2nc(-c3ncccn3)no2)c1 ZINC000373492596 499473047 /nfs/dbraw/zinc/47/30/47/499473047.db2.gz CYEKBXRMVHKDSU-HNNXBMFYSA-N -1 3 355.373 3.099 20 0 FGADHM C[C@@H]1CN(C(=O)c2cc([O-])c3ccccc3c2)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000373751184 499486334 /nfs/dbraw/zinc/48/63/34/499486334.db2.gz KEHDDKKKDFHXHR-PZPWOCDFSA-N -1 3 355.434 3.344 20 0 FGADHM O=C([O-])[C@@H]1CCN(CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000378212339 499490664 /nfs/dbraw/zinc/49/06/64/499490664.db2.gz USLGIRFLAAYAGB-IUODEOHRSA-N -1 3 371.264 3.063 20 0 FGADHM CC(C)c1nc2n(n1)CCC[C@@H]2[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000378264249 499496229 /nfs/dbraw/zinc/49/62/29/499496229.db2.gz BVAVKKPADUOVMR-ZDUSSCGKSA-N -1 3 372.853 3.007 20 0 FGADHM Cc1nc(CO[C@@H]2CCN(Cc3cc(=O)oc4cc([O-])ccc34)C2)cs1 ZINC000375388831 499512858 /nfs/dbraw/zinc/51/28/58/499512858.db2.gz DDCAPHDCCLZNBS-MRXNPFEDSA-N -1 3 372.446 3.055 20 0 FGADHM COc1cc(C(=O)N2CC=C(c3ccc(Cl)nc3)CC2)cc(OC)c1[O-] ZINC000378422827 499515402 /nfs/dbraw/zinc/51/54/02/499515402.db2.gz BMMOCKBYILTCKH-UHFFFAOYSA-N -1 3 374.824 3.387 20 0 FGADHM O=S(=O)([N-]C[C@@H]1CCCSC1)c1ccc(Br)cc1F ZINC000384149520 499547290 /nfs/dbraw/zinc/54/72/90/499547290.db2.gz PGRXYFIEWBBCMJ-VIFPVBQESA-N -1 3 368.293 3.010 20 0 FGADHM COc1ccc([C@@H](NC(=O)/C=C/c2cncc([O-])c2)C2CCOCC2)cc1 ZINC000378605573 499536953 /nfs/dbraw/zinc/53/69/53/499536953.db2.gz JYIDSDDYURRQIC-NZTGSNRZSA-N -1 3 368.433 3.093 20 0 FGADHM CC(C)[C@H](Oc1ccc(Cl)cc1)C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000576398039 506149002 /nfs/dbraw/zinc/14/90/02/506149002.db2.gz WQUPXPNLIHFZGB-RDJZCZTQSA-N -1 3 363.845 3.379 20 0 FGADHM C[C@H](Sc1ccc(Cl)cc1)C(=O)N=c1[nH][n-]cc1Br ZINC000388691178 499551609 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O=C(CCc1ccc(-c2ccccc2)[nH]1)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000427079078 500351494 /nfs/dbraw/zinc/35/14/94/500351494.db2.gz ARNZATWZAKNEPR-UHFFFAOYSA-N -1 3 372.432 3.357 20 0 FGADHM O=C(CCc1ccc(-c2ccccc2)[nH]1)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000427079078 500351497 /nfs/dbraw/zinc/35/14/97/500351497.db2.gz ARNZATWZAKNEPR-UHFFFAOYSA-N -1 3 372.432 3.357 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]Cc2ccc3c(c2)COC3)c(Cl)cc1F ZINC000431315419 500362167 /nfs/dbraw/zinc/36/21/67/500362167.db2.gz YHQUBRKQSRRFCJ-UHFFFAOYSA-N -1 3 355.818 3.296 20 0 FGADHM C[C@@H](CC(=O)NCc1nnc(C(F)(F)F)[n-]1)c1c[nH]c2ccccc12 ZINC000427197147 500365668 /nfs/dbraw/zinc/36/56/68/500365668.db2.gz JPPHTTDJDWFFIR-VIFPVBQESA-N -1 3 351.332 3.115 20 0 FGADHM C[C@@H](CC(=O)NCc1n[n-]c(C(F)(F)F)n1)c1c[nH]c2ccccc12 ZINC000427197147 500365670 /nfs/dbraw/zinc/36/56/70/500365670.db2.gz JPPHTTDJDWFFIR-VIFPVBQESA-N -1 3 351.332 3.115 20 0 FGADHM C[C@@H](CC(=O)NCc1nc(C(F)(F)F)n[n-]1)c1c[nH]c2ccccc12 ZINC000427197147 500365672 /nfs/dbraw/zinc/36/56/72/500365672.db2.gz JPPHTTDJDWFFIR-VIFPVBQESA-N -1 3 351.332 3.115 20 0 FGADHM CCOC(=O)c1csc(CSCc2cc(=O)[n-]c(C3CC3)n2)n1 ZINC000419478181 500369934 /nfs/dbraw/zinc/36/99/34/500369934.db2.gz MEIRPIZNQIUSFI-UHFFFAOYSA-N -1 3 351.453 3.126 20 0 FGADHM COc1cc(CNc2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)ccc1C ZINC000419748103 500392725 /nfs/dbraw/zinc/39/27/25/500392725.db2.gz FCFWQSQRERWZNU-UHFFFAOYSA-N -1 3 364.442 3.196 20 0 FGADHM CCOc1cccc(CNc2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)c1 ZINC000419752194 500393430 /nfs/dbraw/zinc/39/34/30/500393430.db2.gz LVCNQXGNRFHREE-UHFFFAOYSA-N -1 3 364.442 3.277 20 0 FGADHM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-][C@@H](c1ccccc1)C(F)F ZINC000431625595 500399920 /nfs/dbraw/zinc/39/99/20/500399920.db2.gz PDODRTOQAROKEO-HNNXBMFYSA-N -1 3 371.453 3.441 20 0 FGADHM COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cc([O-])ccc1Cl ZINC000431806078 500427292 /nfs/dbraw/zinc/42/72/92/500427292.db2.gz ZDFKZZYSHFUNFV-UHFFFAOYSA-N -1 3 365.769 3.102 20 0 FGADHM CC(C)(C)N(Cc1ccccc1)C(=O)CN1CCC[C@H](CCC(=O)[O-])C1 ZINC000420278829 500432671 /nfs/dbraw/zinc/43/26/71/500432671.db2.gz WIPOAEJPGRMQMR-GOSISDBHSA-N -1 3 360.498 3.391 20 0 FGADHM O=S(=O)([N-][C@@H]1CCC[C@@H]1OCc1ccccc1)c1ccc(F)cc1F ZINC000427806832 500434904 /nfs/dbraw/zinc/43/49/04/500434904.db2.gz LBBXXQJZYSDMOF-SJORKVTESA-N -1 3 367.417 3.381 20 0 FGADHM O=c1[n-]c(CN2CCC[C@@H]2[C@H]2CCCOC2)nc2c3ccccc3oc21 ZINC000582357599 506195312 /nfs/dbraw/zinc/19/53/12/506195312.db2.gz CYVFECRFDRWUQA-DZGCQCFKSA-N -1 3 353.422 3.473 20 0 FGADHM CCOC(=O)c1ccc(NC(=O)c2ccc(-c3cc[nH]n3)s2)c([O-])c1 ZINC000431876926 500437713 /nfs/dbraw/zinc/43/77/13/500437713.db2.gz DSRIITMQPKAXQH-UHFFFAOYSA-N -1 3 357.391 3.273 20 0 FGADHM CN(C(N)=O)c1cccc(NC(=O)c2c[n-]nc2-c2ccc(Cl)cc2)c1 ZINC000427965821 500451853 /nfs/dbraw/zinc/45/18/53/500451853.db2.gz RQSKHFGETDABGE-UHFFFAOYSA-N -1 3 369.812 3.497 20 0 FGADHM CCS[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(F)ccc1OC(F)F ZINC000420665771 500485550 /nfs/dbraw/zinc/48/55/50/500485550.db2.gz GSFUWJQKVIXOAK-JQWIXIFHSA-N -1 3 369.430 3.380 20 0 FGADHM Cc1ncsc1C[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000420667847 500485843 /nfs/dbraw/zinc/48/58/43/500485843.db2.gz QBHFFOCCDSULNL-UHFFFAOYSA-N -1 3 368.814 3.185 20 0 FGADHM CC(C)(C)C[C@H](O)C[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000420682003 500487578 /nfs/dbraw/zinc/48/75/78/500487578.db2.gz YSYKNAYBMFYLIM-JTQLQIEISA-N -1 3 371.833 3.017 20 0 FGADHM O=S(=O)([N-]CC1CC(F)(F)C1)c1cc(Cl)ccc1OC(F)F ZINC000420733636 500492929 /nfs/dbraw/zinc/49/29/29/500492929.db2.gz SUNCFLGNCQAXOX-UHFFFAOYSA-N -1 3 361.744 3.265 20 0 FGADHM COC(=O)c1cc(S(=O)(=O)[N-][C@H](CC(F)F)c2ccccc2)c(C)o1 ZINC000420738808 500493439 /nfs/dbraw/zinc/49/34/39/500493439.db2.gz OAFXNKUZHOYLMK-GFCCVEGCSA-N -1 3 373.377 3.049 20 0 FGADHM CC(C)O[C@@H](CN1CCN(C(=O)c2cccc([O-])c2)CC1)c1ccccc1 ZINC000428382582 500502942 /nfs/dbraw/zinc/50/29/42/500502942.db2.gz PNGRIPRQYJPOIK-NRFANRHFSA-N -1 3 368.477 3.316 20 0 FGADHM C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)CN(Cc2nc3ccsc3c(=O)[n-]2)C1 ZINC000421002834 500551275 /nfs/dbraw/zinc/55/12/75/500551275.db2.gz DYURMUXKRUMUAW-VXGBXAGGSA-N -1 3 363.483 3.197 20 0 FGADHM O=c1nc(CN2CC[C@@]23CCOC3)[n-]c2scc(-c3ccccc3)c21 ZINC000421016357 500555304 /nfs/dbraw/zinc/55/53/04/500555304.db2.gz IXDQCMBLAWENIU-IBGZPJMESA-N -1 3 353.447 3.429 20 0 FGADHM COC(=O)[C@@H](CNC(=O)Nc1cc(C)ccc1C)Cc1ccc([O-])c(F)c1 ZINC000421032876 500560631 /nfs/dbraw/zinc/56/06/31/500560631.db2.gz MIMWAIXSAZHIMC-OAHLLOKOSA-N -1 3 374.412 3.302 20 0 FGADHM COc1ccc(CNC(=O)c2ccc([O-])c(C)c2)cc1Br ZINC000436940841 500574730 /nfs/dbraw/zinc/57/47/30/500574730.db2.gz YMKQAUZXCWOYGW-UHFFFAOYSA-N -1 3 350.212 3.402 20 0 FGADHM CC[C@H]1CC[C@H](C)N1C(=O)C(=O)[N-]c1scc(C2CC2)c1C(=O)OC ZINC000442272133 500577508 /nfs/dbraw/zinc/57/75/08/500577508.db2.gz NHLFJRABGLHDLV-JQWIXIFHSA-N -1 3 364.467 3.140 20 0 FGADHM COC(=O)[C@H](CNC(=O)c1ccccc1[O-])Cc1ccc2ccccc2c1 ZINC000436949654 500577802 /nfs/dbraw/zinc/57/78/02/500577802.db2.gz AIIVCFOXVCNXCO-SFHVURJKSA-N -1 3 363.413 3.307 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCCCC[C@H]2C)c1 ZINC000436964640 500580868 /nfs/dbraw/zinc/58/08/68/500580868.db2.gz MPCNVODDSIVLGP-GFCCVEGCSA-N -1 3 357.410 3.346 20 0 FGADHM O=C(c1ccccc1[O-])N1CCN(Cc2nc3ccc(F)cc3s2)CC1 ZINC000436965514 500580926 /nfs/dbraw/zinc/58/09/26/500580926.db2.gz SRFCPGRNFFNINY-UHFFFAOYSA-N -1 3 371.437 3.099 20 0 FGADHM CCOC(=O)[C@@H]1CCCc2sc(NC(=O)c3cc(C)ccc3[O-])nc21 ZINC000436964950 500581192 /nfs/dbraw/zinc/58/11/92/500581192.db2.gz IDMWLJLXJJGUPP-LLVKDONJSA-N -1 3 360.435 3.392 20 0 FGADHM CCCCOc1ccc(C(=O)NCc2ccc(N3CCCC3)nc2)c([O-])c1 ZINC000436970921 500582778 /nfs/dbraw/zinc/58/27/78/500582778.db2.gz HMUNMVGEYPXHGV-UHFFFAOYSA-N -1 3 369.465 3.496 20 0 FGADHM Cc1ccc(C)c([C@H](C)N(C)C[C@H](O)COc2ccc(C(=O)[O-])cc2)c1 ZINC000576642622 506204407 /nfs/dbraw/zinc/20/44/07/506204407.db2.gz HXEFMLIXARETGX-WMZOPIPTSA-N -1 3 357.450 3.434 20 0 FGADHM COC(=O)CN(CCc1ccccc1)C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000436978455 500585265 /nfs/dbraw/zinc/58/52/65/500585265.db2.gz HYEBGCVCDBYKTN-UHFFFAOYSA-N -1 3 367.445 3.129 20 0 FGADHM CCCCOc1ccc(C(=O)N[C@@H]2C[C@H](OCC)[C@]23CCCO3)c([O-])c1 ZINC000436982210 500586395 /nfs/dbraw/zinc/58/63/95/500586395.db2.gz SJWAMBDSPMBCGG-HBFSDRIKSA-N -1 3 363.454 3.028 20 0 FGADHM CCCCOc1ccc(C(=O)N[C@H]2CCO[C@]3(CCSC3)C2)c([O-])c1 ZINC000436988910 500588363 /nfs/dbraw/zinc/58/83/63/500588363.db2.gz QICJCXVQCRASHK-IFXJQAMLSA-N -1 3 365.495 3.356 20 0 FGADHM Cc1ccc(-c2nc(-c3cccc(NS(C)(=O)=O)c3)no2)c([O-])c1C ZINC000436994471 500588901 /nfs/dbraw/zinc/58/89/01/500588901.db2.gz CWHMMFOBQJGXJV-UHFFFAOYSA-N -1 3 359.407 3.098 20 0 FGADHM O=C(N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1)c1c([O-])cccc1O ZINC000436996939 500589942 /nfs/dbraw/zinc/58/99/42/500589942.db2.gz DPOGKJKKVDVVNU-JOYOIKCWSA-N -1 3 366.186 3.285 20 0 FGADHM CS(=O)(=O)[N-]c1ccc(-c2nc(-c3ccc4[nH]ccc4c3)no2)cc1 ZINC000573501453 506204839 /nfs/dbraw/zinc/20/48/39/506204839.db2.gz OHCNTGOUJBGMOY-UHFFFAOYSA-N -1 3 354.391 3.256 20 0 FGADHM CCS[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000442735656 500617166 /nfs/dbraw/zinc/61/71/66/500617166.db2.gz ZAOUFXIFKUPWLJ-QWRGUYRKSA-N -1 3 354.419 3.053 20 0 FGADHM O=S(=O)([N-][C@@H]1CSc2ccccc21)c1cnccc1C(F)(F)F ZINC000442743100 500618399 /nfs/dbraw/zinc/61/83/99/500618399.db2.gz DWOPSGWIUIKWAF-LLVKDONJSA-N -1 3 360.382 3.226 20 0 FGADHM COc1cccc2c1CC[C@H]2[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000442742438 500618442 /nfs/dbraw/zinc/61/84/42/500618442.db2.gz ZLPOWRHGZMDGCT-CYBMUJFWSA-N -1 3 372.368 3.075 20 0 FGADHM Cc1ccc([C@H](C)C[N-]S(=O)(=O)c2cnccc2C(F)(F)F)cc1 ZINC000442754308 500620167 /nfs/dbraw/zinc/62/01/67/500620167.db2.gz XBYCRACHBRFYLJ-GFCCVEGCSA-N -1 3 358.385 3.491 20 0 FGADHM CSc1ccc(C[N-]S(=O)(=O)c2cnccc2C(F)(F)F)cc1 ZINC000442765483 500623211 /nfs/dbraw/zinc/62/32/11/500623211.db2.gz HWCYAKKSASPADZ-UHFFFAOYSA-N -1 3 362.398 3.301 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000437312945 500628559 /nfs/dbraw/zinc/62/85/59/500628559.db2.gz ZCXGBENLDSKZRJ-PSVSLLHZSA-N -1 3 353.390 3.196 20 0 FGADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2Cl)c(OC)c1 ZINC000442810298 500628957 /nfs/dbraw/zinc/62/89/57/500628957.db2.gz MWCPFZYRPRVKHB-UHFFFAOYSA-N -1 3 369.826 3.244 20 0 FGADHM CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1nc(C)ccc1[O-] ZINC000447629219 500636704 /nfs/dbraw/zinc/63/67/04/500636704.db2.gz KCDISHIKFHAGIL-CXAGYDPISA-N -1 3 367.449 3.034 20 0 FGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000442910575 500645610 /nfs/dbraw/zinc/64/56/10/500645610.db2.gz DSBKMDLMXKGIDK-MGPQQGTHSA-N -1 3 371.524 3.480 20 0 FGADHM O=S(=O)([N-]CC1(c2ccccc2)CC1)c1cnccc1C(F)(F)F ZINC000442914144 500645825 /nfs/dbraw/zinc/64/58/25/500645825.db2.gz TXMMEIAVORJJHH-UHFFFAOYSA-N -1 3 356.369 3.111 20 0 FGADHM CCCC(C)(C)CC(=O)NCc1cccc(-c2nnc(C(=O)OCC)[n-]2)c1 ZINC000447689516 500646662 /nfs/dbraw/zinc/64/66/62/500646662.db2.gz QDXOSRDLPQXPHI-UHFFFAOYSA-N -1 3 372.469 3.481 20 0 FGADHM CCCC(C)(C)CC(=O)NCc1cccc(-c2n[n-]c(C(=O)OCC)n2)c1 ZINC000447689516 500646667 /nfs/dbraw/zinc/64/66/67/500646667.db2.gz QDXOSRDLPQXPHI-UHFFFAOYSA-N -1 3 372.469 3.481 20 0 FGADHM CCN=c1[n-]c(C(=O)Nc2cnn(-c3cc(C)ccc3C)c2C)cs1 ZINC000437463928 500647178 /nfs/dbraw/zinc/64/71/78/500647178.db2.gz VVEUVVLSDUKZJR-UHFFFAOYSA-N -1 3 355.467 3.360 20 0 FGADHM C[C@H](OC[C@@H]1CCCCO1)C(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000442933224 500649731 /nfs/dbraw/zinc/64/97/31/500649731.db2.gz JCIYCXQBXUWKBA-JQWIXIFHSA-N -1 3 363.332 3.204 20 0 FGADHM C[C@H](CCC(C)(C)C)NS(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000442954435 500652497 /nfs/dbraw/zinc/65/24/97/500652497.db2.gz FMSAGAWVRYHYLS-SNVBAGLBSA-N -1 3 371.894 3.013 20 0 FGADHM C[C@H](CCC(C)(C)C)NS(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000442954435 500652500 /nfs/dbraw/zinc/65/25/00/500652500.db2.gz FMSAGAWVRYHYLS-SNVBAGLBSA-N -1 3 371.894 3.013 20 0 FGADHM CCn1nccc1C1CCN(C(=O)CCCc2ccc([O-])c(F)c2)CC1 ZINC000447726109 500653675 /nfs/dbraw/zinc/65/36/75/500653675.db2.gz DMCXQDFCRYDPAN-UHFFFAOYSA-N -1 3 359.445 3.477 20 0 FGADHM Cc1cc(-c2noc([C@@H](C)[N-]S(=O)(=O)CC(C)(C)C)n2)ccc1F ZINC000443020036 500664557 /nfs/dbraw/zinc/66/45/57/500664557.db2.gz GBOMEDWMHFXLEQ-LLVKDONJSA-N -1 3 355.435 3.211 20 0 FGADHM COc1cc(C(=O)N[C@@H](C)c2cnn(Cc3ccccc3)c2)ccc1[O-] ZINC000443060316 500671720 /nfs/dbraw/zinc/67/17/20/500671720.db2.gz GBWUUEONBBIHLW-AWEZNQCLSA-N -1 3 351.406 3.137 20 0 FGADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2c(C)cccc2Cl)c(OC)c1 ZINC000443133188 500685044 /nfs/dbraw/zinc/68/50/44/500685044.db2.gz MEPGSDCGMAPVPN-UHFFFAOYSA-N -1 3 369.826 3.244 20 0 FGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2c3ccccc3C[C@H]2O)c1Cl ZINC000443165684 500690965 /nfs/dbraw/zinc/69/09/65/500690965.db2.gz FHIYWVBIKXHJDO-HIFRSBDPSA-N -1 3 372.273 3.238 20 0 FGADHM CN(C)Cc1ccc(CNC(=O)N=c2nc(-c3ccsc3)[n-]s2)cc1 ZINC000448007473 500706163 /nfs/dbraw/zinc/70/61/63/500706163.db2.gz AENUCIYDWQKWSS-UHFFFAOYSA-N -1 3 373.507 3.072 20 0 FGADHM CCC(CC)[C@@H](O)C[N-]S(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000443302567 500706301 /nfs/dbraw/zinc/70/63/01/500706301.db2.gz ZJMOQWPDMMFGDO-AWEZNQCLSA-N -1 3 354.299 3.210 20 0 FGADHM O=C(Nc1ccc2ccoc2c1)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000443367902 500715446 /nfs/dbraw/zinc/71/54/46/500715446.db2.gz WZPSLPRFFHQBSL-UHFFFAOYSA-N -1 3 365.389 3.128 20 0 FGADHM Cc1cc(C)c2[n-]cc(C(=O)N(C)Cc3cnc(C(C)C)nc3)c(=O)c2c1 ZINC000443380190 500716572 /nfs/dbraw/zinc/71/65/72/500716572.db2.gz FVUQDOHZYHXXEZ-UHFFFAOYSA-N -1 3 364.449 3.331 20 0 FGADHM CCN(Cc1c[nH]c2ccccc12)C(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000443388582 500717718 /nfs/dbraw/zinc/71/77/18/500717718.db2.gz LNJSNEZSJDHJFA-UHFFFAOYSA-N -1 3 351.406 3.494 20 0 FGADHM Cc1nc(-c2ccc(NC(=O)NC[C@@H]3C[C@@H](C)O[C@H]3C)cc2)cc(=O)[n-]1 ZINC000570686706 506213677 /nfs/dbraw/zinc/21/36/77/506213677.db2.gz OQNLUIWTQNLHIX-XUJVJEKNSA-N -1 3 356.426 3.093 20 0 FGADHM Cc1nn(C)c(C)c1[C@H](C)C(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000443572619 500739887 /nfs/dbraw/zinc/73/98/87/500739887.db2.gz HQRMUELSUZQFOR-QMMMGPOBSA-N -1 3 357.332 3.383 20 0 FGADHM COC(=O)c1[n-]c(=N[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)sc1C ZINC000433772891 500741727 /nfs/dbraw/zinc/74/17/27/500741727.db2.gz CKNHFSXKSQFISN-ZIAGYGMSSA-N -1 3 350.415 3.131 20 0 FGADHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc3cc(Cl)ccc3s2)CCN1C ZINC000433836538 500752768 /nfs/dbraw/zinc/75/27/68/500752768.db2.gz PAMNRALTMUMDPQ-ZWNOBZJWSA-N -1 3 358.916 3.316 20 0 FGADHM CN(C)CCc1ccccc1[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000438236883 500757631 /nfs/dbraw/zinc/75/76/31/500757631.db2.gz MYEHMEFXGAAGLM-UHFFFAOYSA-N -1 3 356.850 3.384 20 0 FGADHM O=C([N-]c1cc(-c2ccccc2F)on1)c1csc([C@@H]2CCCO2)n1 ZINC000448493247 500765286 /nfs/dbraw/zinc/76/52/86/500765286.db2.gz ULEIDAVWBRKRMK-ZDUSSCGKSA-N -1 3 359.382 3.463 20 0 FGADHM O=C(Cc1cnn(-c2ccccc2)c1)N=c1cc(-c2ccccc2F)o[n-]1 ZINC000448492781 500765340 /nfs/dbraw/zinc/76/53/40/500765340.db2.gz PFURBHCDABMEOI-UHFFFAOYSA-N -1 3 362.364 3.270 20 0 FGADHM O=C(N=c1cc(-c2cccc(F)c2)o[n-]1)c1cc(-c2ccccn2)no1 ZINC000448538951 500769121 /nfs/dbraw/zinc/76/91/21/500769121.db2.gz RBWCYSRTDHMEKV-UHFFFAOYSA-N -1 3 350.309 3.205 20 0 FGADHM COCCN(CC[C@@H](C(=O)[O-])c1ccccc1)Cc1ccc2c(c1)OCO2 ZINC000570730562 506215596 /nfs/dbraw/zinc/21/55/96/506215596.db2.gz WHOIXFBPDXJCEU-GOSISDBHSA-N -1 3 371.433 3.122 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)NCc2ccccc2N(C)C(C)C)c1 ZINC000438460950 500788082 /nfs/dbraw/zinc/78/80/82/500788082.db2.gz NHLVNKLUSRJUFP-UHFFFAOYSA-N -1 3 355.438 3.125 20 0 FGADHM COc1ccc(C(=O)C2CCN(C(=O)Cc3ccc([O-])c(F)c3)CC2)cc1 ZINC000448625465 500788759 /nfs/dbraw/zinc/78/87/59/500788759.db2.gz OIXCZHJKPGBYQE-UHFFFAOYSA-N -1 3 371.408 3.204 20 0 FGADHM CCC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)s1)c1nnc2ccccn21 ZINC000434099889 500795280 /nfs/dbraw/zinc/79/52/80/500795280.db2.gz MOEHSGFVKSKKPD-SNVBAGLBSA-N -1 3 370.887 3.264 20 0 FGADHM O=S(=O)([N-]CCCc1ccccn1)c1ccc(C(F)(F)F)cc1F ZINC000444091995 500802014 /nfs/dbraw/zinc/80/20/14/500802014.db2.gz RXLAKUCAVAGPKM-UHFFFAOYSA-N -1 3 362.348 3.151 20 0 FGADHM CC(C)(C(N)=O)c1ccc(NC(=O)c2cn[n-]c2-c2ccsc2)cc1 ZINC000444097559 500802707 /nfs/dbraw/zinc/80/27/07/500802707.db2.gz URJOBXYUCUTLHH-UHFFFAOYSA-N -1 3 354.435 3.153 20 0 FGADHM CC(C)(C(N)=O)c1ccc(NC(=O)c2c[n-]nc2-c2ccsc2)cc1 ZINC000444097559 500802708 /nfs/dbraw/zinc/80/27/08/500802708.db2.gz URJOBXYUCUTLHH-UHFFFAOYSA-N -1 3 354.435 3.153 20 0 FGADHM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2F)cs1 ZINC000438782879 500820132 /nfs/dbraw/zinc/82/01/32/500820132.db2.gz ZDFWLHRHGANGSC-UHFFFAOYSA-N -1 3 373.427 3.262 20 0 FGADHM CCOC(=O)CC[C@@H](C)NC(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000444299027 500831766 /nfs/dbraw/zinc/83/17/66/500831766.db2.gz QYKHUBGNVSGQGV-CQSZACIVSA-N -1 3 369.417 3.085 20 0 FGADHM C[C@H]1COCC[C@H]1C(=O)N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1 ZINC000444303724 500832110 /nfs/dbraw/zinc/83/21/10/500832110.db2.gz DSTJTIJCNUCXTI-TVQRCGJNSA-N -1 3 354.237 3.417 20 0 FGADHM C[C@]1(F)CCN(C(=O)c2c[n-]c3c(OC(F)(F)F)cccc3c2=O)C1 ZINC000444350753 500837868 /nfs/dbraw/zinc/83/78/68/500837868.db2.gz IAVDBLKANLKPBY-HNNXBMFYSA-N -1 3 358.291 3.001 20 0 FGADHM CCCN1CCC[C@@H]1C(=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000444362425 500839613 /nfs/dbraw/zinc/83/96/13/500839613.db2.gz GBVPHMXDYLCBHT-GOSISDBHSA-N -1 3 373.497 3.268 20 0 FGADHM CCOc1cc(C(=O)[N-]c2cc(F)ccc2OC[C@H]2CCCO2)on1 ZINC000448932233 500872507 /nfs/dbraw/zinc/87/25/07/500872507.db2.gz HIBVRDUWDCQCRV-GFCCVEGCSA-N -1 3 350.346 3.023 20 0 FGADHM O=S(=O)([N-]C[C@@H]1CCCCN1C1CC1)c1cc(Cl)sc1Cl ZINC000434771808 500892267 /nfs/dbraw/zinc/89/22/67/500892267.db2.gz DYGFRWGXNBNRQT-JTQLQIEISA-N -1 3 369.339 3.350 20 0 FGADHM CC1(c2cc(=NC(=O)C(=O)NCCC3=CCCCCC3)[n-]o2)CCCC1 ZINC000435101368 500933705 /nfs/dbraw/zinc/93/37/05/500933705.db2.gz BETNWZHCPNYRJE-UHFFFAOYSA-N -1 3 359.470 3.264 20 0 FGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)c2cc(C)cc(C)c2)cc1F ZINC000445059044 500939387 /nfs/dbraw/zinc/93/93/87/500939387.db2.gz LGUJNNNMNKZSMR-CYBMUJFWSA-N -1 3 365.426 3.269 20 0 FGADHM O=C(NCCCNC(=O)c1cccc([O-])c1)Nc1ccc(F)c(C2CC2)c1 ZINC000439806877 500940778 /nfs/dbraw/zinc/94/07/78/500940778.db2.gz SAOPLPMZKBELPN-UHFFFAOYSA-N -1 3 371.412 3.350 20 0 FGADHM Cc1ncc(CN[C@H]2CCc3c2ccc(F)c3Br)c(=O)[n-]1 ZINC000449235659 500954383 /nfs/dbraw/zinc/95/43/83/500954383.db2.gz VHTULWVUBBHTOK-ZDUSSCGKSA-N -1 3 352.207 3.169 20 0 FGADHM C[C@@H]1COCC[C@@H]1C(=O)Nc1n[n-]c(-c2cc(Cl)ccc2Cl)n1 ZINC000445211198 500954706 /nfs/dbraw/zinc/95/47/06/500954706.db2.gz JPOLNWQFNHGHPU-SCZZXKLOSA-N -1 3 355.225 3.390 20 0 FGADHM COC[C@@H]1CN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C[C@@H](C)O1 ZINC000439927952 500956563 /nfs/dbraw/zinc/95/65/63/500956563.db2.gz BGMUHFYTQSYEFB-PBHICJAKSA-N -1 3 357.406 3.060 20 0 FGADHM Cc1nc(C)c(CC(=O)Nc2ccc(CCC(F)(F)F)cc2)c(=O)[n-]1 ZINC000439992949 500963923 /nfs/dbraw/zinc/96/39/23/500963923.db2.gz XLSNFNRSUBQVKV-UHFFFAOYSA-N -1 3 353.344 3.475 20 0 FGADHM COCCOc1cnc(-c2noc(-c3ccc(C(C)C)cc3[O-])n2)cn1 ZINC000445304101 500970390 /nfs/dbraw/zinc/97/03/90/500970390.db2.gz RKUJZUHMPQZLAL-UHFFFAOYSA-N -1 3 356.382 3.048 20 0 FGADHM CCN1CCC[C@H](C[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)C1 ZINC000435425663 500972701 /nfs/dbraw/zinc/97/27/01/500972701.db2.gz ZQBLCWBUMHKVEA-SNVBAGLBSA-N -1 3 369.289 3.143 20 0 FGADHM CCN(CC[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)C(C)C ZINC000435440629 500978062 /nfs/dbraw/zinc/97/80/62/500978062.db2.gz YIZWIRKFKOJGDI-UHFFFAOYSA-N -1 3 357.278 3.141 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccc(Br)cc2)o1 ZINC000435439873 500978149 /nfs/dbraw/zinc/97/81/49/500978149.db2.gz XPYHSBAPSVDAGT-QWHCGFSZSA-N -1 3 356.241 3.185 20 0 FGADHM CCOc1cc(-c2noc(-c3cccc(OCC(=O)OC)c3)n2)ccc1[O-] ZINC000445433278 500984722 /nfs/dbraw/zinc/98/47/22/500984722.db2.gz XVZUVJXOWRXFQW-UHFFFAOYSA-N -1 3 370.361 3.060 20 0 FGADHM COc1ccc(S(=O)(=O)[N-][C@H]2C[C@H](c3cccc(F)c3)C2)c(F)c1 ZINC000435598435 500999350 /nfs/dbraw/zinc/99/93/50/500999350.db2.gz RKYCCUNNRFGRCH-MQMHXKEQSA-N -1 3 353.390 3.198 20 0 FGADHM COc1ccc([C@@H]([N-]S(=O)(=O)c2ccco2)c2ccccc2OC)cc1 ZINC000445714636 501023302 /nfs/dbraw/zinc/02/33/02/501023302.db2.gz ULYXCMSDIDXXDM-LJQANCHMSA-N -1 3 373.430 3.365 20 0 FGADHM COc1ccc(CN2CCSC[C@@H]2C2CC2)c(Br)c1[O-] ZINC000449528546 501026607 /nfs/dbraw/zinc/02/66/07/501026607.db2.gz QFVNOHGVJSIRNT-GFCCVEGCSA-N -1 3 358.301 3.491 20 0 FGADHM O=S(=O)([N-]C[C@H](c1c(F)cccc1Cl)N1CCCC1)c1ccco1 ZINC000445754072 501028251 /nfs/dbraw/zinc/02/82/51/501028251.db2.gz WVYGSJACHYZGGT-CQSZACIVSA-N -1 3 372.849 3.188 20 0 FGADHM Cc1ccc(-c2nc(CC(=O)NCc3ccc(F)cc3F)no2)c([O-])c1C ZINC000445835103 501038925 /nfs/dbraw/zinc/03/89/25/501038925.db2.gz XGLFWRHMDWOKEA-UHFFFAOYSA-N -1 3 373.359 3.196 20 0 FGADHM Cc1nc(CCNC(=O)c2ccc(C(=O)c3cccc([O-])c3)cc2)cs1 ZINC000435950621 501050061 /nfs/dbraw/zinc/05/00/61/501050061.db2.gz RUBZNUDDCAQLGZ-UHFFFAOYSA-N -1 3 366.442 3.361 20 0 FGADHM CC(C)Cn1ccc2c1cccc2C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000446036581 501065032 /nfs/dbraw/zinc/06/50/32/501065032.db2.gz KEWBEWTWQLYCTO-UHFFFAOYSA-N -1 3 374.448 3.407 20 0 FGADHM CC(C)Cn1ccc2c1cccc2C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000446036581 501065034 /nfs/dbraw/zinc/06/50/34/501065034.db2.gz KEWBEWTWQLYCTO-UHFFFAOYSA-N -1 3 374.448 3.407 20 0 FGADHM CCC[C@@H]1CCCCN1C(=O)C(=O)[N-]c1scc(C)c1C(=O)OCC ZINC000440950310 501067578 /nfs/dbraw/zinc/06/75/78/501067578.db2.gz GZJNASWGCDTIIR-CYBMUJFWSA-N -1 3 366.483 3.353 20 0 FGADHM O=C(c1ccc(C(=O)N2CCCC[C@@H]2CCO)cc1)c1cccc([O-])c1 ZINC000436094948 501069454 /nfs/dbraw/zinc/06/94/54/501069454.db2.gz YFTYOPXTVFOWMY-GOSISDBHSA-N -1 3 353.418 3.000 20 0 FGADHM CCOC(=O)c1c(CC)c(C)sc1[N-]C(=O)c1noc2c1COCC2 ZINC000598931228 506232528 /nfs/dbraw/zinc/23/25/28/506232528.db2.gz SQQGHTYDEXXYRK-UHFFFAOYSA-N -1 3 364.423 3.109 20 0 FGADHM CCOCCOc1ccc(S(=O)(=O)[N-]c2ccc(F)c(OC)c2)cc1 ZINC000436182847 501084813 /nfs/dbraw/zinc/08/48/13/501084813.db2.gz VCAKAUVIECRUPI-UHFFFAOYSA-N -1 3 369.414 3.050 20 0 FGADHM CCOC(=O)c1ccsc1[N-]C(=O)C(=O)N1CCCC[C@@H]1[C@@H](C)CC ZINC000441099938 501087887 /nfs/dbraw/zinc/08/78/87/501087887.db2.gz WFLFTCBLOFGOTP-GXTWGEPZSA-N -1 3 366.483 3.291 20 0 FGADHM CC[C@H](CC(C)C)C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000449790296 501088000 /nfs/dbraw/zinc/08/80/00/501088000.db2.gz KZSPMYXVEPWVRL-CYBMUJFWSA-N -1 3 356.488 3.468 20 0 FGADHM CN1CCC[C@@H](CN=c2[n-]ncs2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000450341590 501095739 /nfs/dbraw/zinc/09/57/39/501095739.db2.gz LFIPEQKQXXTPRR-JSGCOSHPSA-N -1 3 356.417 3.474 20 0 FGADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)[C@@H]2C[C@H]2C(F)(F)F)[nH][n-]1 ZINC000449841352 501104342 /nfs/dbraw/zinc/10/43/42/501104342.db2.gz UVZUJEKNPVDEJO-PSASIEDQSA-N -1 3 359.735 3.298 20 0 FGADHM CCOCc1nc(C)c(C(=O)[N-]c2n[nH]c(-c3ccccc3F)n2)s1 ZINC000449845243 501104880 /nfs/dbraw/zinc/10/48/80/501104880.db2.gz ZLPDPWRAVQNMQL-UHFFFAOYSA-N -1 3 361.402 3.165 20 0 FGADHM CC(=O)c1[n-]c(=NCc2ccc(C)cc2OC[C@@H]2CCOC2)sc1C ZINC000450381195 501105826 /nfs/dbraw/zinc/10/58/26/501105826.db2.gz TZDURNJWOYSGKD-OAHLLOKOSA-N -1 3 360.479 3.412 20 0 FGADHM C[C@@H](NC(=O)CNC(=O)c1cccc([O-])c1)c1ccc(Cl)cc1Cl ZINC000446379065 501113083 /nfs/dbraw/zinc/11/30/83/501113083.db2.gz MKLKSQYCBHRGJO-SNVBAGLBSA-N -1 3 367.232 3.306 20 0 FGADHM CC[C@@H]1C[C@H]1C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000449932247 501129532 /nfs/dbraw/zinc/12/95/32/501129532.db2.gz SCHABMZIRUDMFD-BXUZGUMPSA-N -1 3 350.846 3.269 20 0 FGADHM [O-]c1ccc(Br)c(CNCc2ccncc2OCC(F)F)c1 ZINC000441379015 501130699 /nfs/dbraw/zinc/13/06/99/501130699.db2.gz IHBSAEJHXGSBCP-UHFFFAOYSA-N -1 3 373.197 3.483 20 0 FGADHM COC(=O)Cc1ccc(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)cc1 ZINC000436489967 501137942 /nfs/dbraw/zinc/13/79/42/501137942.db2.gz NYNFMPOLBJFGRW-UHFFFAOYSA-N -1 3 355.390 3.074 20 0 FGADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2Cl)cc1F ZINC000446622079 501142838 /nfs/dbraw/zinc/14/28/38/501142838.db2.gz CLADCPTZJZUNQZ-UHFFFAOYSA-N -1 3 357.790 3.375 20 0 FGADHM Cc1ccc(C(=O)Nc2cc(CN3CCOCC3)ccc2C)c([O-])c1C ZINC000436532818 501148859 /nfs/dbraw/zinc/14/88/59/501148859.db2.gz XDRGOVJFUFARLG-UHFFFAOYSA-N -1 3 354.450 3.402 20 0 FGADHM Cc1ccc(C(=O)N(C)[C@H](c2cnn(C)c2)c2cccc(F)c2)c([O-])c1 ZINC000436536448 501150194 /nfs/dbraw/zinc/15/01/94/501150194.db2.gz QJLZMEWPJUYCJI-IBGZPJMESA-N -1 3 353.397 3.435 20 0 FGADHM COc1cc(C)cc(C(=O)Nc2ccnn2CCc2ccccc2)c1[O-] ZINC000436542493 501151577 /nfs/dbraw/zinc/15/15/77/501151577.db2.gz HAFMQFUGRIKHJL-UHFFFAOYSA-N -1 3 351.406 3.401 20 0 FGADHM O=C(N[C@@H]1C[C@H]1c1ccc(Br)s1)c1c([O-])cccc1O ZINC000436549535 501154406 /nfs/dbraw/zinc/15/44/06/501154406.db2.gz XIUHCWDLAXSJOO-HTQZYQBOSA-N -1 3 354.225 3.208 20 0 FGADHM COC(=O)c1sc(NC(=O)Cc2ccc([O-])c(F)c2)nc1C(C)(C)C ZINC000450029088 501158534 /nfs/dbraw/zinc/15/85/34/501158534.db2.gz QTZZNWSYIWZEFF-UHFFFAOYSA-N -1 3 366.414 3.253 20 0 FGADHM C[C@@H](NC(=O)c1ccc(O)cc1[O-])c1ccc(F)c(Br)c1 ZINC000436568633 501158938 /nfs/dbraw/zinc/15/89/38/501158938.db2.gz VCSIKNJKIIROPY-MRVPVSSYSA-N -1 3 354.175 3.490 20 0 FGADHM CC(C)c1ccc(C(=O)NCCc2cccc(C(=O)N(C)C)c2)c([O-])c1 ZINC000436592726 501164624 /nfs/dbraw/zinc/16/46/24/501164624.db2.gz YDCYYSMPWAHANZ-UHFFFAOYSA-N -1 3 354.450 3.190 20 0 FGADHM COc1cccc(C(=O)N[C@H](c2ccc3c(c2)OCCO3)C2CC2)c1[O-] ZINC000436589760 501165330 /nfs/dbraw/zinc/16/53/30/501165330.db2.gz QNUKLCZTEPXBJK-SFHVURJKSA-N -1 3 355.390 3.053 20 0 FGADHM C[C@@H](C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1)c1cccc(F)c1 ZINC000436595351 501165970 /nfs/dbraw/zinc/16/59/70/501165970.db2.gz LJIDEWWRXCTSJF-CQSZACIVSA-N -1 3 370.424 3.056 20 0 FGADHM COC(=O)C[C@@H]1CCCN1C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436600546 501167750 /nfs/dbraw/zinc/16/77/50/501167750.db2.gz GBCXOTCEGGZTIL-AWEZNQCLSA-N -1 3 355.390 3.352 20 0 FGADHM CCOC(=O)[C@H](NC(=O)c1ccc(C(C)C)cc1[O-])c1cccc(O)c1 ZINC000436606405 501168725 /nfs/dbraw/zinc/16/87/25/501168725.db2.gz QXZVQYWANSJCEM-GOSISDBHSA-N -1 3 357.406 3.255 20 0 FGADHM CCc1ccc(C(=O)N2C[C@@H](c3ccc(Cl)cc3)[C@H](CO)C2)c([O-])c1 ZINC000436612379 501170025 /nfs/dbraw/zinc/17/00/25/501170025.db2.gz XOWIINQOWNLYJS-YJBOKZPZSA-N -1 3 359.853 3.456 20 0 FGADHM [O-]c1ccc(-c2noc(-c3cccc(-n4cnnn4)c3)n2)c2ccccc12 ZINC000436614485 501170030 /nfs/dbraw/zinc/17/00/30/501170030.db2.gz YEPGPLFWTYIXRX-UHFFFAOYSA-N -1 3 356.345 3.238 20 0 FGADHM Cc1cc(O)cc(=O)n1CCc1nc(-c2ccc([O-])c3ccccc23)no1 ZINC000436613833 501170182 /nfs/dbraw/zinc/17/01/82/501170182.db2.gz SOFFXTFBFOTAEB-UHFFFAOYSA-N -1 3 363.373 3.014 20 0 FGADHM CS[C@@H]1CN(C(=O)c2ccc3ccccc3c2[O-])C[C@H]1N1CCCC1 ZINC000436619424 501171271 /nfs/dbraw/zinc/17/12/71/501171271.db2.gz WJOZWQOFZLGLOP-QZTJIDSGSA-N -1 3 356.491 3.197 20 0 FGADHM O=C(N[C@@H]1CCN(C2CC2)C1)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436623051 501171646 /nfs/dbraw/zinc/17/16/46/501171646.db2.gz YHIFXMZNYJJUGQ-GOSISDBHSA-N -1 3 350.462 3.144 20 0 FGADHM CC[C@@](C)(COc1ncccc1Cl)NC(=O)c1ccc(O)cc1[O-] ZINC000436629055 501173765 /nfs/dbraw/zinc/17/37/65/501173765.db2.gz IHRMFMDIHJCUFV-KRWDZBQOSA-N -1 3 350.802 3.124 20 0 FGADHM NC(=O)C[C@H](NC(=O)CCc1ccc2ccccc2c1[O-])C1CCCCC1 ZINC000450080602 501175089 /nfs/dbraw/zinc/17/50/89/501175089.db2.gz FCSNNTRFVJXNJY-IBGZPJMESA-N -1 3 368.477 3.419 20 0 FGADHM CC(C)c1ccc(C(=O)NC[C@@H](c2ccccc2)N2CCOCC2)c([O-])c1 ZINC000436639691 501176149 /nfs/dbraw/zinc/17/61/49/501176149.db2.gz LXAWUDGNPFPBLM-FQEVSTJZSA-N -1 3 368.477 3.319 20 0 FGADHM Cc1c(Cl)cccc1N1CCCN(C(=O)c2c([O-])cccc2O)CC1 ZINC000436643734 501177170 /nfs/dbraw/zinc/17/71/70/501177170.db2.gz YJPYGLOOVCXIRP-UHFFFAOYSA-N -1 3 360.841 3.412 20 0 FGADHM CCOc1ccc(CCNC(=O)c2cc(OC)ccc2[O-])cc1OCC ZINC000436648402 501177884 /nfs/dbraw/zinc/17/78/84/501177884.db2.gz QFUIQSAOMAMWBC-UHFFFAOYSA-N -1 3 359.422 3.171 20 0 FGADHM O=C(NCc1ccco1)Nc1ccc(NC(=O)c2c([O-])cccc2O)cc1 ZINC000436648034 501178214 /nfs/dbraw/zinc/17/82/14/501178214.db2.gz OXVIAZCSJQDJQD-UHFFFAOYSA-N -1 3 367.361 3.265 20 0 FGADHM O=C(NCc1cc(Oc2ccc(F)cc2)ccn1)c1c([O-])cccc1O ZINC000436650186 501178807 /nfs/dbraw/zinc/17/88/07/501178807.db2.gz VDWQEWFOAFPCFH-UHFFFAOYSA-N -1 3 354.337 3.354 20 0 FGADHM CCOc1cc(NC(=O)CCNC(=O)c2ccc(C)cc2[O-])ccc1C ZINC000436666105 501182586 /nfs/dbraw/zinc/18/25/86/501182586.db2.gz PDPGJGLOMSVBBK-UHFFFAOYSA-N -1 3 356.422 3.166 20 0 FGADHM CC(C)c1cccc(S(=O)(=O)[N-][C@@H](c2cnn(C)c2)C(F)(F)F)c1 ZINC000446945405 501184807 /nfs/dbraw/zinc/18/48/07/501184807.db2.gz FLQYSIWVMVSMML-AWEZNQCLSA-N -1 3 361.389 3.125 20 0 FGADHM Cc1nccn1CCCNC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436679688 501186621 /nfs/dbraw/zinc/18/66/21/501186621.db2.gz HMIXPHJFWRYBRP-UHFFFAOYSA-N -1 3 365.433 3.296 20 0 FGADHM CC1(C)Cc2ccc(C(=O)NCc3nc(-c4cccs4)no3)c([O-])c2O1 ZINC000436682332 501186656 /nfs/dbraw/zinc/18/66/56/501186656.db2.gz QPDIHAHZSFFWOR-UHFFFAOYSA-N -1 3 371.418 3.147 20 0 FGADHM CCCc1nc(C)c(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])s1 ZINC000436679789 501186904 /nfs/dbraw/zinc/18/69/04/501186904.db2.gz LYPMENVUEBAZBG-AWEZNQCLSA-N -1 3 373.478 3.353 20 0 FGADHM CN1CCN(C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)Cc2ccccc21 ZINC000436681685 501187191 /nfs/dbraw/zinc/18/71/91/501187191.db2.gz NVUSFHXBNWVBCV-UHFFFAOYSA-N -1 3 352.434 3.198 20 0 FGADHM CC[C@@H](CNC(=O)CCNC(=O)c1ccc(C)cc1[O-])c1ccccc1 ZINC000436705705 501192519 /nfs/dbraw/zinc/19/25/19/501192519.db2.gz KPWYUQARENBSEB-INIZCTEOSA-N -1 3 354.450 3.131 20 0 FGADHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1C[C@@H](C)CCC[C@H]1C ZINC000442049493 501193493 /nfs/dbraw/zinc/19/34/93/501193493.db2.gz MICLWKIPDUVKHR-WCQYABFASA-N -1 3 366.483 3.209 20 0 FGADHM C[C@@H]1[C@H](C)N(C)CCN1C(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436711708 501193864 /nfs/dbraw/zinc/19/38/64/501193864.db2.gz KGMFYVYHGUBLEJ-JKSUJKDBSA-N -1 3 354.450 3.136 20 0 FGADHM CCO[C@@H]1C[C@H](NC(=O)c2ccc([O-])c(CC)c2)[C@H]1Oc1ccccc1 ZINC000436709803 501194082 /nfs/dbraw/zinc/19/40/82/501194082.db2.gz ZOZPVTFBVQNLMQ-DFQSSKMNSA-N -1 3 355.434 3.309 20 0 FGADHM O=C(Cc1ccc([O-])c(F)c1)N1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000450723525 501194372 /nfs/dbraw/zinc/19/43/72/501194372.db2.gz DDUSOFVXYQNYIE-QGZVFWFLSA-N -1 3 367.779 3.466 20 0 FGADHM CC(C)Oc1ccc([C@H](CNC(=O)c2c([O-])cccc2F)N(C)C)cc1 ZINC000436725344 501198208 /nfs/dbraw/zinc/19/82/08/501198208.db2.gz QISUUTQUKYNCDW-KRWDZBQOSA-N -1 3 360.429 3.351 20 0 FGADHM Cc1ccc(C(=O)NCc2nnc(C(F)(F)F)[n-]2)c(Cl)c1Cl ZINC000450745599 501199183 /nfs/dbraw/zinc/19/91/83/501199183.db2.gz GAJMWUQOPGOSMT-UHFFFAOYSA-N -1 3 353.131 3.369 20 0 FGADHM Cc1ccc(C(=O)NCc2n[n-]c(C(F)(F)F)n2)c(Cl)c1Cl ZINC000450745599 501199184 /nfs/dbraw/zinc/19/91/84/501199184.db2.gz GAJMWUQOPGOSMT-UHFFFAOYSA-N -1 3 353.131 3.369 20 0 FGADHM Cc1ccc(C(=O)NCc2nc(C(F)(F)F)n[n-]2)c(Cl)c1Cl ZINC000450745599 501199185 /nfs/dbraw/zinc/19/91/85/501199185.db2.gz GAJMWUQOPGOSMT-UHFFFAOYSA-N -1 3 353.131 3.369 20 0 FGADHM CN(C)C[C@H](NC(=O)c1cc(F)c([O-])c(Cl)c1)c1ccc(F)cc1 ZINC000436733694 501199744 /nfs/dbraw/zinc/19/97/44/501199744.db2.gz IOZRGMKCHHWBOX-HNNXBMFYSA-N -1 3 354.784 3.357 20 0 FGADHM O=C(NCCNC(=O)c1ccc([O-])cc1)Nc1ccc(C2CCC2)cc1 ZINC000436733545 501200030 /nfs/dbraw/zinc/20/00/30/501200030.db2.gz WWPOELYQGYROBV-UHFFFAOYSA-N -1 3 353.422 3.211 20 0 FGADHM CC[C@@H](C)c1nc([C@@H](C)NC(=O)c2ccc(Br)cc2[O-])n[nH]1 ZINC000436742933 501202566 /nfs/dbraw/zinc/20/25/66/501202566.db2.gz YTPGNQFSLOVPCW-RKDXNWHRSA-N -1 3 367.247 3.277 20 0 FGADHM O=C(Nc1ccc(C(=O)NC2CC2)cc1)c1cc2c(cc1[O-])CCCC2 ZINC000436752507 501204257 /nfs/dbraw/zinc/20/42/57/501204257.db2.gz BJKBQXRHRCTSDU-UHFFFAOYSA-N -1 3 350.418 3.416 20 0 FGADHM O=C1CSc2ccccc2N1CCc1nc(-c2ccc([O-])cc2)no1 ZINC000436769876 501208501 /nfs/dbraw/zinc/20/85/01/501208501.db2.gz OWKDWJSKXVTSFH-UHFFFAOYSA-N -1 3 353.403 3.124 20 0 FGADHM CCn1cnc(S(=O)(=O)[N-][C@@H](c2ccccc2)c2cccc(F)c2)c1 ZINC000447160822 501210593 /nfs/dbraw/zinc/21/05/93/501210593.db2.gz RZNCCTHKPONTHL-SFHVURJKSA-N -1 3 359.426 3.110 20 0 FGADHM CCOC(=O)Cn1ccc2cc(NC(=O)c3cc(C)ccc3[O-])ccc21 ZINC000436790832 501212083 /nfs/dbraw/zinc/21/20/83/501212083.db2.gz ITTWGIMEFCRQBI-UHFFFAOYSA-N -1 3 352.390 3.471 20 0 FGADHM CCOC(=O)[C@H]1CCCN1C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436803679 501213966 /nfs/dbraw/zinc/21/39/66/501213966.db2.gz MFDVPWCBTUHQHP-LJQANCHMSA-N -1 3 367.445 3.345 20 0 FGADHM CCS(=O)(=O)c1ccc(CNC(=O)c2ccc(C(C)C)cc2[O-])cc1 ZINC000436815876 501215921 /nfs/dbraw/zinc/21/59/21/501215921.db2.gz MSGBDLYFOFWYPZ-UHFFFAOYSA-N -1 3 361.463 3.239 20 0 FGADHM COC(=O)COc1ccc([C@H](C)NC(=O)c2ccc(C)c(C)c2[O-])cc1 ZINC000436821730 501216288 /nfs/dbraw/zinc/21/62/88/501216288.db2.gz XXZIUHXNISLQSE-AWEZNQCLSA-N -1 3 357.406 3.052 20 0 FGADHM O=C(N[C@@H]1CCC[C@@H]1CCO)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436838160 501219105 /nfs/dbraw/zinc/21/91/05/501219105.db2.gz JRXYIAJVOOCFCF-UYAOXDASSA-N -1 3 353.462 3.458 20 0 FGADHM CCOC(=O)CC1(CNC(=O)Cc2ccc([O-])c(F)c2)CCCCC1 ZINC000450264662 501221560 /nfs/dbraw/zinc/22/15/60/501221560.db2.gz GJRJTKALZNUCEE-UHFFFAOYSA-N -1 3 351.418 3.094 20 0 FGADHM O=C(N[C@@H]1CCN(C2CCCC2)C1)c1cc(F)cc(Br)c1[O-] ZINC000436852791 501221833 /nfs/dbraw/zinc/22/18/33/501221833.db2.gz AZKBYDWGNQHLFI-LLVKDONJSA-N -1 3 371.250 3.041 20 0 FGADHM CC[C@@H](NC(=O)c1ccccc1)c1noc(-c2cccc(OC)c2[O-])n1 ZINC000436881297 501226807 /nfs/dbraw/zinc/22/68/07/501226807.db2.gz MZCORNMMCZVUND-CQSZACIVSA-N -1 3 353.378 3.332 20 0 FGADHM O=C(N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)c1ccc(O)cc1[O-] ZINC000436889765 501228122 /nfs/dbraw/zinc/22/81/22/501228122.db2.gz ZLSOASLJPUBFKE-JTQLQIEISA-N -1 3 367.232 3.413 20 0 FGADHM C[C@@H](c1ccccc1Br)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000450914606 501228802 /nfs/dbraw/zinc/22/88/02/501228802.db2.gz NGILGLDZHIKBMA-JTQLQIEISA-N -1 3 352.232 3.478 20 0 FGADHM COc1cccc(-c2nc(CC(=O)Nc3ccc(Cl)cc3)no2)c1[O-] ZINC000436895869 501229153 /nfs/dbraw/zinc/22/91/53/501229153.db2.gz ZHJXSZPSVNKUKO-UHFFFAOYSA-N -1 3 359.769 3.285 20 0 FGADHM CCCNC(=O)c1cccc(-c2nc(-c3ccc([O-])c(OC)c3)no2)c1 ZINC000436901735 501229606 /nfs/dbraw/zinc/22/96/06/501229606.db2.gz NFGOZIHLLCJPDM-UHFFFAOYSA-N -1 3 353.378 3.258 20 0 FGADHM Cc1ccc(C(=O)N[C@H]2CCCN([C@@H](C)c3ccccc3F)C2=O)c([O-])c1 ZINC000436904316 501230333 /nfs/dbraw/zinc/23/03/33/501230333.db2.gz YOPMUUYUBUBUDL-KSSFIOAISA-N -1 3 370.424 3.322 20 0 FGADHM COc1ccc([C@@H](NC(=O)c2ccc(OC)cc2[O-])C(F)(F)F)cc1 ZINC000436905184 501230386 /nfs/dbraw/zinc/23/03/86/501230386.db2.gz ZUQBPKZOBCRAPG-OAHLLOKOSA-N -1 3 355.312 3.443 20 0 FGADHM C[C@@H]1C[C@@H]1CNC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436908786 501230873 /nfs/dbraw/zinc/23/08/73/501230873.db2.gz KAELNTYYRIZFBB-LSBZLQRGSA-N -1 3 352.434 3.026 20 0 FGADHM CC(C)c1ccc(-c2nc(-c3ccnc(N4CCOCC4)c3)no2)c([O-])c1 ZINC000436908500 501230979 /nfs/dbraw/zinc/23/09/79/501230979.db2.gz VPMVRZWQYDIEML-UHFFFAOYSA-N -1 3 366.421 3.464 20 0 FGADHM O=C(Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1)c1ccc(F)cc1F ZINC000436912052 501231158 /nfs/dbraw/zinc/23/11/58/501231158.db2.gz CBBTTYHMBSQPKB-UHFFFAOYSA-N -1 3 350.712 3.361 20 0 FGADHM O=C(Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1)c1scnc1C1CC1 ZINC000436915139 501231964 /nfs/dbraw/zinc/23/19/64/501231964.db2.gz MVNORNVGJZCUHA-UHFFFAOYSA-N -1 3 361.814 3.417 20 0 FGADHM [O-]c1cc2ccccc2cc1-c1nc(-c2cccnc2-n2cncn2)no1 ZINC000436919653 501232365 /nfs/dbraw/zinc/23/23/65/501232365.db2.gz MJAHBAWIKXCNCV-UHFFFAOYSA-N -1 3 356.345 3.238 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)NCc2ccc3sccc3c2)c([O-])c1 ZINC000436926882 501233863 /nfs/dbraw/zinc/23/38/63/501233863.db2.gz LXCMQNOZQFYOPA-UHFFFAOYSA-N -1 3 368.458 3.352 20 0 FGADHM CCOc1ccc([N-]S(=O)(=O)C[C@H](OC)c2ccccc2)cc1F ZINC000450985579 501236902 /nfs/dbraw/zinc/23/69/02/501236902.db2.gz KFFODKZMRCCUIA-KRWDZBQOSA-N -1 3 353.415 3.354 20 0 FGADHM Cc1csc(S(=O)(=O)[N-]C[C@H](c2ccccc2)N2CCCC2)c1 ZINC000450986661 501237175 /nfs/dbraw/zinc/23/71/75/501237175.db2.gz IBLRYSAGTGDELA-MRXNPFEDSA-N -1 3 350.509 3.172 20 0 FGADHM CCO[C@H]1C[C@](CO)(NC(=O)CCc2ccc3ccccc3c2[O-])C1(C)C ZINC000451214077 501252639 /nfs/dbraw/zinc/25/26/39/501252639.db2.gz BSXDMANLVIRQIR-PGRDOPGGSA-N -1 3 371.477 3.160 20 0 FGADHM CC[C@H]1[C@H](CO)CCN1Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000451251579 501255005 /nfs/dbraw/zinc/25/50/05/501255005.db2.gz GCOBNWTVABXBPI-AAEUAGOBSA-N -1 3 359.451 3.250 20 0 FGADHM CCOC[C@@H](C)CS(=O)(=O)[N-][C@@H](CC)c1nc(C(F)(F)F)cs1 ZINC000451268407 501256469 /nfs/dbraw/zinc/25/64/69/501256469.db2.gz DNRFMENDKPJHCG-ZJUUUORDSA-N -1 3 374.450 3.205 20 0 FGADHM C[C@@H](C(=O)Nc1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1F)C1CCC1 ZINC000457597317 501265885 /nfs/dbraw/zinc/26/58/85/501265885.db2.gz LPLFVHZSHJMWNP-SECBINFHSA-N -1 3 374.865 3.295 20 0 FGADHM COc1cc2c(cc1C[N-]S(=O)(=O)c1sccc1Cl)O[C@H](C)C2 ZINC000451338286 501269239 /nfs/dbraw/zinc/26/92/39/501269239.db2.gz HADRJEQSXDMQJE-SECBINFHSA-N -1 3 373.883 3.212 20 0 FGADHM Cc1csc(S(=O)(=O)[N-][C@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000451362937 501275300 /nfs/dbraw/zinc/27/53/00/501275300.db2.gz RQDRNPXSLLGWRK-GOEBONIOSA-N -1 3 372.462 3.058 20 0 FGADHM COC(=O)c1ncccc1S(=O)(=O)[N-][C@H](CC1CCC1)c1ccccc1 ZINC000451380328 501280081 /nfs/dbraw/zinc/28/00/81/501280081.db2.gz XEMRFGLTXCDVOJ-MRXNPFEDSA-N -1 3 374.462 3.078 20 0 FGADHM C[C@H](CC(F)(F)F)C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000457760685 501303620 /nfs/dbraw/zinc/30/36/20/501303620.db2.gz XFQJYLYEBKAUKW-SSDOTTSWSA-N -1 3 350.138 3.046 20 0 FGADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)[C@]3(C)CCC[C@H]3C)c2)[n-]1 ZINC000451493988 501305754 /nfs/dbraw/zinc/30/57/54/501305754.db2.gz QRGAFUCDUOEXQG-ZUOKHONESA-N -1 3 370.453 3.091 20 0 FGADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)[C@]3(C)CCC[C@H]3C)c2)n[n-]1 ZINC000451493988 501305757 /nfs/dbraw/zinc/30/57/57/501305757.db2.gz QRGAFUCDUOEXQG-ZUOKHONESA-N -1 3 370.453 3.091 20 0 FGADHM CCOc1ccncc1S(=O)(=O)[N-]Cc1ccc(C(C)(F)F)cc1 ZINC000451576982 501329312 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/nfs/dbraw/zinc/64/38/89/501643889.db2.gz XMEGPRFXIXXHJG-UHFFFAOYSA-N -1 3 354.454 3.406 20 0 FGADHM CCOC(=O)c1csc([C@H]2CCCN2Cc2cc(=O)[n-]c(C3CC3)n2)n1 ZINC000459426982 501651850 /nfs/dbraw/zinc/65/18/50/501651850.db2.gz UNFSUKLZISPARV-CQSZACIVSA-N -1 3 374.466 3.030 20 0 FGADHM CCOc1cc(CNc2ccc(N(C)C)cn2)cc(Br)c1[O-] ZINC000459436459 501653629 /nfs/dbraw/zinc/65/36/29/501653629.db2.gz QGRKUXCMSSVVJR-UHFFFAOYSA-N -1 3 366.259 3.048 20 0 FGADHM CCOc1cc(CNCc2ccc3c(c2)C(=O)NCC3)cc(Cl)c1[O-] ZINC000459492530 501663161 /nfs/dbraw/zinc/66/31/61/501663161.db2.gz WSTQDKICUPGWJN-UHFFFAOYSA-N -1 3 360.841 3.020 20 0 FGADHM CCOc1cc(CN2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)OC)cc(Cl)c1[O-] ZINC000459506957 501666093 /nfs/dbraw/zinc/66/60/93/501666093.db2.gz JXFVLHOWHOPWGO-HEHGZKQESA-N -1 3 353.846 3.218 20 0 FGADHM CCOc1cc(CN(CC(=O)OC)[C@@H](C)CC)cc(Br)c1[O-] ZINC000459517900 501668415 /nfs/dbraw/zinc/66/84/15/501668415.db2.gz AYXWVKMFKFERQA-NSHDSACASA-N -1 3 374.275 3.327 20 0 FGADHM 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/nfs/dbraw/zinc/88/22/96/501882296.db2.gz ZNHYVBJGGHRREN-UHFFFAOYSA-N -1 3 374.416 3.434 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)[C@H](c1ccccc1)N(C)C ZINC000474583249 501884490 /nfs/dbraw/zinc/88/44/90/501884490.db2.gz YLSDNUGDPGCGPK-YVEFUNNKSA-N -1 3 370.877 3.449 20 0 FGADHM COc1cccc([C@H]2C[C@@H]2C(=O)N=c2cc(-c3ccccc3OC)[n-][nH]2)c1 ZINC000592861873 506279868 /nfs/dbraw/zinc/27/98/68/506279868.db2.gz DWFJQJZPLQZCDS-SJORKVTESA-N -1 3 363.417 3.258 20 0 FGADHM CCCCc1nc(C(=O)OCC)c(NC(=O)c2ccnc(SC)c2)[n-]1 ZINC000485672649 501896698 /nfs/dbraw/zinc/89/66/98/501896698.db2.gz OJIHMBUQGNMGCN-UHFFFAOYSA-N -1 3 362.455 3.298 20 0 FGADHM CCCCc1nc(NC(=O)c2ccnc(SC)c2)c(C(=O)OCC)[n-]1 ZINC000485672649 501896703 /nfs/dbraw/zinc/89/67/03/501896703.db2.gz OJIHMBUQGNMGCN-UHFFFAOYSA-N -1 3 362.455 3.298 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2c3c(ccc2Cl)OCC3)c(F)c1 ZINC000481874497 501905513 /nfs/dbraw/zinc/90/55/13/501905513.db2.gz MPDBQPWAMKWJOU-UHFFFAOYSA-N -1 3 357.790 3.223 20 0 FGADHM CC[C@H](CC(=O)NCc1nnc(C(F)(F)F)[n-]1)c1ccc(OC)cc1 ZINC000481913368 501916688 /nfs/dbraw/zinc/91/66/88/501916688.db2.gz NGVLXKQBVJMOLH-SNVBAGLBSA-N -1 3 356.348 3.032 20 0 FGADHM CC[C@H](CC(=O)NCc1n[n-]c(C(F)(F)F)n1)c1ccc(OC)cc1 ZINC000481913368 501916691 /nfs/dbraw/zinc/91/66/91/501916691.db2.gz NGVLXKQBVJMOLH-SNVBAGLBSA-N -1 3 356.348 3.032 20 0 FGADHM CC[C@H](CC(=O)NCc1nc(C(F)(F)F)n[n-]1)c1ccc(OC)cc1 ZINC000481913368 501916696 /nfs/dbraw/zinc/91/66/96/501916696.db2.gz NGVLXKQBVJMOLH-SNVBAGLBSA-N -1 3 356.348 3.032 20 0 FGADHM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-]CCC1=CCCCCC1 ZINC000464209062 501923223 /nfs/dbraw/zinc/92/32/23/501923223.db2.gz DVNXMSMGGBPPBO-UHFFFAOYSA-N -1 3 355.431 3.171 20 0 FGADHM COc1cc2c(cc1NC(=O)c1cc(-c3ccc(C)o3)[n-]n1)NC(=O)CC2 ZINC000464267774 501937722 /nfs/dbraw/zinc/93/77/22/501937722.db2.gz RHKJHQGODLGWOG-UHFFFAOYSA-N -1 3 366.377 3.124 20 0 FGADHM COc1cc2c(cc1NC(=O)c1cc(-c3ccc(C)o3)n[n-]1)NC(=O)CC2 ZINC000464267774 501937729 /nfs/dbraw/zinc/93/77/29/501937729.db2.gz RHKJHQGODLGWOG-UHFFFAOYSA-N -1 3 366.377 3.124 20 0 FGADHM CC(C)COc1ccccc1CN1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000471179529 501946738 /nfs/dbraw/zinc/94/67/38/501946738.db2.gz XWNQXMPKROAMGN-UHFFFAOYSA-N -1 3 368.477 3.385 20 0 FGADHM CCc1ncc(S(=O)(=O)[N-][C@H]2CCC[C@@H]2OCc2ccccc2)s1 ZINC000460933855 501961853 /nfs/dbraw/zinc/96/18/53/501961853.db2.gz NVCCJTDTOORQIX-GJZGRUSLSA-N -1 3 366.508 3.122 20 0 FGADHM CCc1ncc(S(=O)(=O)[N-]Cc2ccccc2OC(F)(F)F)s1 ZINC000460934958 501962073 /nfs/dbraw/zinc/96/20/73/501962073.db2.gz IZYHUXVUFFLIEZ-UHFFFAOYSA-N -1 3 366.386 3.083 20 0 FGADHM Cc1ccc(F)c(S(=O)(=O)[N-]CCc2c[nH]c3cc(F)ccc23)c1 ZINC000485858742 501964839 /nfs/dbraw/zinc/96/48/39/501964839.db2.gz AXFWIIXHNDEMMY-UHFFFAOYSA-N -1 3 350.390 3.276 20 0 FGADHM CCc1ncc(S(=O)(=O)[N-][C@H]2CCOc3c(Cl)cccc32)s1 ZINC000460946343 501966160 /nfs/dbraw/zinc/96/61/60/501966160.db2.gz YCEZPIAOAOOVCN-NSHDSACASA-N -1 3 358.872 3.161 20 0 FGADHM CC(C)[C@H]1CCCN(C(=O)N=c2cc3ccc(Br)cn3[n-]2)C1 ZINC000482075281 501966682 /nfs/dbraw/zinc/96/66/82/501966682.db2.gz LSWPKVQNMHZMPG-LBPRGKRZSA-N -1 3 365.275 3.419 20 0 FGADHM CCc1ncc(S(=O)(=O)[N-][C@H](C)c2cn(C(C)(C)C)nc2C)s1 ZINC000464366996 501967874 /nfs/dbraw/zinc/96/78/74/501967874.db2.gz RHKYOHJLAQVGFE-LLVKDONJSA-N -1 3 356.517 3.005 20 0 FGADHM CCc1ncc(S(=O)(=O)[N-][C@@H](C)c2cc(OC)c(OC)cc2C)s1 ZINC000460953767 501969892 /nfs/dbraw/zinc/96/98/92/501969892.db2.gz ULAFCLYZECJMOY-NSHDSACASA-N -1 3 370.496 3.071 20 0 FGADHM O=S(=O)([N-]CCc1c[nH]c2cc(F)ccc12)c1ccc(F)c(F)c1 ZINC000485891062 501978251 /nfs/dbraw/zinc/97/82/51/501978251.db2.gz DFDBGBBOILJAPX-UHFFFAOYSA-N -1 3 354.353 3.106 20 0 FGADHM Cc1cc(C(=O)Nc2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)c(C)cc1Cl ZINC000474898413 501984474 /nfs/dbraw/zinc/98/44/74/501984474.db2.gz QIZULLBLCNXDKF-LJQANCHMSA-N -1 3 371.824 3.264 20 0 FGADHM CCc1cc(C(=O)NCC2(c3ccc(OC)cc3)CCOCC2)ccc1[O-] ZINC000485926535 501990632 /nfs/dbraw/zinc/99/06/32/501990632.db2.gz RBZSNFQOANUDDJ-UHFFFAOYSA-N -1 3 369.461 3.441 20 0 FGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)Cc2ccc3c(c2)CCCC3)c1 ZINC000461022207 501991488 /nfs/dbraw/zinc/99/14/88/501991488.db2.gz HTHQXIOHCXFDDZ-UHFFFAOYSA-N -1 3 372.490 3.427 20 0 FGADHM O=C([N-]c1nccc(-c2ccco2)n1)c1ncsc1Br ZINC000464460897 501996087 /nfs/dbraw/zinc/99/60/87/501996087.db2.gz XIYZHJBWGQOSFM-UHFFFAOYSA-N -1 3 351.185 3.208 20 0 FGADHM O=C(CNC(=O)c1cccc([O-])c1)N1CCC[C@H]1Cc1ccccc1Cl ZINC000471383180 502006350 /nfs/dbraw/zinc/00/63/50/502006350.db2.gz BTSGJMCUXIDHFC-INIZCTEOSA-N -1 3 372.852 3.009 20 0 FGADHM C[C@@H](c1cc2ccccc2o1)N(C)C(=O)CNC(=O)c1cccc([O-])c1 ZINC000471394971 502010219 /nfs/dbraw/zinc/01/02/19/502010219.db2.gz VERNEPYAMSRAFO-ZDUSSCGKSA-N -1 3 352.390 3.088 20 0 FGADHM CC[C@H](CSC)N(C)C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482227975 502012732 /nfs/dbraw/zinc/01/27/32/502012732.db2.gz AFBPAAMNTZIRGC-LLVKDONJSA-N -1 3 371.304 3.124 20 0 FGADHM O=C(NCC(=O)N(Cc1ccco1)Cc1cccs1)c1cccc([O-])c1 ZINC000471402700 502014067 /nfs/dbraw/zinc/01/40/67/502014067.db2.gz FAWZPGMTTIELDJ-UHFFFAOYSA-N -1 3 370.430 3.006 20 0 FGADHM C[C@H](CNC(=O)CCCc1ccc([O-])c(F)c1)N1CCc2ccccc21 ZINC000468314796 502022899 /nfs/dbraw/zinc/02/28/99/502022899.db2.gz DLNIKLCYNPOALB-OAHLLOKOSA-N -1 3 356.441 3.421 20 0 FGADHM CCC(=O)c1ccc(Cl)c([N-]C(=O)c2nc3nc(C)cc(C)n3n2)c1 ZINC000471431885 502027332 /nfs/dbraw/zinc/02/73/32/502027332.db2.gz PSEFLVWIARSCDI-UHFFFAOYSA-N -1 3 357.801 3.240 20 0 FGADHM COc1nnccc1[N-]C(=O)c1cc(-c2ccccc2C(F)(F)F)on1 ZINC000464574101 502031794 /nfs/dbraw/zinc/03/17/94/502031794.db2.gz WWKKTQHDEIMPIL-UHFFFAOYSA-N -1 3 364.283 3.411 20 0 FGADHM CC(C)c1cccc(C(=O)N=c2nc(-c3ccccc3Cl)[n-]n2C)n1 ZINC000461220495 502042641 /nfs/dbraw/zinc/04/26/41/502042641.db2.gz LGOBYODHLLNKMJ-UHFFFAOYSA-N -1 3 355.829 3.328 20 0 FGADHM Cc1ccc(NC(=O)c2c[n-]c3ccccc3c2=O)cc1NC(=O)N(C)C ZINC000478653429 502045793 /nfs/dbraw/zinc/04/57/93/502045793.db2.gz UHMVOJAWVZMZNS-UHFFFAOYSA-N -1 3 364.405 3.182 20 0 FGADHM Cc1ccc(NC(=O)c2cnc3ccccc3c2[O-])cc1NC(=O)N(C)C ZINC000478653429 502045796 /nfs/dbraw/zinc/04/57/96/502045796.db2.gz UHMVOJAWVZMZNS-UHFFFAOYSA-N -1 3 364.405 3.182 20 0 FGADHM COc1cccc([C@H](C)C(=O)N=c2nc(-c3ccccc3Cl)[n-]n2C)c1 ZINC000461238776 502049110 /nfs/dbraw/zinc/04/91/10/502049110.db2.gz HGKSVQPWFVGUTR-LBPRGKRZSA-N -1 3 370.840 3.308 20 0 FGADHM COc1ccc(-c2nc(NC(=O)c3cc[nH]c3C3CCC3)n[n-]2)c(OC)c1 ZINC000486131055 502057805 /nfs/dbraw/zinc/05/78/05/502057805.db2.gz TZYAPOZEZGXUPP-UHFFFAOYSA-N -1 3 367.409 3.337 20 0 FGADHM CCOc1ccc(S(=O)(=O)[N-]c2cc(C(=O)OC)c(C)cc2C)cc1 ZINC000471583383 502073115 /nfs/dbraw/zinc/07/31/15/502073115.db2.gz YYDXACXTYHWXQD-UHFFFAOYSA-N -1 3 363.435 3.290 20 0 FGADHM COCCC1(C[N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)CCCCC1 ZINC000478762083 502079206 /nfs/dbraw/zinc/07/92/06/502079206.db2.gz NAEQGFBLPJCVCX-UHFFFAOYSA-N -1 3 365.417 3.369 20 0 FGADHM CCc1cc(C(=O)Nc2ccc(C(N)=O)c(N3CCCCC3)c2)ccc1[O-] ZINC000486255591 502101928 /nfs/dbraw/zinc/10/19/28/502101928.db2.gz VUTJJGLEQLHCMZ-UHFFFAOYSA-N -1 3 367.449 3.296 20 0 FGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000486257995 502102974 /nfs/dbraw/zinc/10/29/74/502102974.db2.gz ATWMGQLDSPYLHC-GXFFZTMASA-N -1 3 373.808 3.461 20 0 FGADHM Cc1ccc(OCCCC(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000471672575 502104757 /nfs/dbraw/zinc/10/47/57/502104757.db2.gz WKZVKIZQLXDDEQ-UHFFFAOYSA-N -1 3 351.410 3.281 20 0 FGADHM Cc1ccc(OCCCC(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000471672575 502104762 /nfs/dbraw/zinc/10/47/62/502104762.db2.gz WKZVKIZQLXDDEQ-UHFFFAOYSA-N -1 3 351.410 3.281 20 0 FGADHM CN(C)[C@@H](CNC(=O)CCCc1ccc([O-])c(F)c1)c1cccc(F)c1 ZINC000468584026 502114349 /nfs/dbraw/zinc/11/43/49/502114349.db2.gz GUPVDKMPXNNCPQ-SFHVURJKSA-N -1 3 362.420 3.412 20 0 FGADHM C[C@H](CC(C)(C)C)C(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000475280663 502117378 /nfs/dbraw/zinc/11/73/78/502117378.db2.gz NWJXYAMEGMNOTP-CYBMUJFWSA-N -1 3 372.556 3.090 20 0 FGADHM C[C@@H](CC(C)(C)C)C(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000475280664 502117393 /nfs/dbraw/zinc/11/73/93/502117393.db2.gz NWJXYAMEGMNOTP-ZDUSSCGKSA-N -1 3 372.556 3.090 20 0 FGADHM CC(=O)Nc1ccc(Cl)c(NC(=O)c2c[n-]nc2-c2ccncc2)c1 ZINC000471792235 502138137 /nfs/dbraw/zinc/13/81/37/502138137.db2.gz WZOBBBFQXILFKX-UHFFFAOYSA-N -1 3 355.785 3.336 20 0 FGADHM CC(=O)Nc1ccc(Cl)c(NC(=O)c2cn[n-]c2-c2ccncc2)c1 ZINC000471792235 502138144 /nfs/dbraw/zinc/13/81/44/502138144.db2.gz WZOBBBFQXILFKX-UHFFFAOYSA-N -1 3 355.785 3.336 20 0 FGADHM C[N-]S(=O)(=O)c1cc(NC(=O)N[C@H]2CCC(C)(C)C[C@H]2C)ccc1F ZINC000486399513 502143105 /nfs/dbraw/zinc/14/31/05/502143105.db2.gz FDFASCPVTQWLDC-RISCZKNCSA-N -1 3 371.478 3.070 20 0 FGADHM CC[C@@H](NC(=O)NCc1nnc(C(F)(F)F)[n-]1)c1ccc(Cl)cc1 ZINC000482662468 502143275 /nfs/dbraw/zinc/14/32/75/502143275.db2.gz AEWRGAUEYOWKCP-SNVBAGLBSA-N -1 3 361.755 3.427 20 0 FGADHM CC[C@@H](NC(=O)NCc1n[n-]c(C(F)(F)F)n1)c1ccc(Cl)cc1 ZINC000482662468 502143280 /nfs/dbraw/zinc/14/32/80/502143280.db2.gz AEWRGAUEYOWKCP-SNVBAGLBSA-N -1 3 361.755 3.427 20 0 FGADHM CC[C@@H](NC(=O)NCc1nc(C(F)(F)F)n[n-]1)c1ccc(Cl)cc1 ZINC000482662468 502143286 /nfs/dbraw/zinc/14/32/86/502143286.db2.gz AEWRGAUEYOWKCP-SNVBAGLBSA-N -1 3 361.755 3.427 20 0 FGADHM C[C@@]([N-]S(=O)(=O)c1ccc2c(c1)CC(C)(C)O2)(C1CC1)C(F)(F)F ZINC000479152037 502177364 /nfs/dbraw/zinc/17/73/64/502177364.db2.gz GEIAODPMTJRDEO-OAHLLOKOSA-N -1 3 363.401 3.409 20 0 FGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1cc(-c2ccccc2C)nn1C ZINC000486516163 502178450 /nfs/dbraw/zinc/17/84/50/502178450.db2.gz RVWOUPIUPVEJHM-UHFFFAOYSA-N -1 3 369.450 3.174 20 0 FGADHM Cc1nc(-c2ccc(NC(=O)NCC3(CCO)CCCC3)cc2)cc(=O)[n-]1 ZINC000465061235 502184616 /nfs/dbraw/zinc/18/46/16/502184616.db2.gz WDZHWMJGVHUICB-UHFFFAOYSA-N -1 3 370.453 3.222 20 0 FGADHM C[C@H](CC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000479227772 502199684 /nfs/dbraw/zinc/19/96/84/502199684.db2.gz VKEGBUVXKPCEQS-SNVBAGLBSA-N -1 3 367.389 3.104 20 0 FGADHM CN(C)C(=O)c1cc(NC(=O)c2c[n-]nc2-c2ccncc2)ccc1Cl ZINC000472027484 502203829 /nfs/dbraw/zinc/20/38/29/502203829.db2.gz NSGWLJONMLLISP-UHFFFAOYSA-N -1 3 369.812 3.079 20 0 FGADHM CN(C)C(=O)c1cc(NC(=O)c2cn[n-]c2-c2ccncc2)ccc1Cl ZINC000472027484 502203831 /nfs/dbraw/zinc/20/38/31/502203831.db2.gz NSGWLJONMLLISP-UHFFFAOYSA-N -1 3 369.812 3.079 20 0 FGADHM Cc1nc(N2CCOCC2)ccc1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000468856402 502208424 /nfs/dbraw/zinc/20/84/24/502208424.db2.gz GRBMSRJCSUBDMM-UHFFFAOYSA-N -1 3 373.428 3.033 20 0 FGADHM CC[C@@H](C)c1nc([C@@H](C)[N-]S(=O)(=O)c2ccc(F)cc2Cl)n[nH]1 ZINC000486636372 502216394 /nfs/dbraw/zinc/21/63/94/502216394.db2.gz DLYAYEPIRSXSDQ-RKDXNWHRSA-N -1 3 360.842 3.150 20 0 FGADHM Cc1ccc(CNC(=O)NCc2ncccc2[O-])c(OCC(F)(F)F)c1 ZINC000472071013 502220011 /nfs/dbraw/zinc/22/00/11/502220011.db2.gz YHBHPCNQBWHPBO-UHFFFAOYSA-N -1 3 369.343 3.036 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)CCc3ccc4ccccc4n3)[n-]c21 ZINC000486666387 502224673 /nfs/dbraw/zinc/22/46/73/502224673.db2.gz UERZYVIFBQPTLY-UHFFFAOYSA-N -1 3 374.400 3.469 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)CCc3ccc4ccccc4n3)nc21 ZINC000486666387 502224677 /nfs/dbraw/zinc/22/46/77/502224677.db2.gz UERZYVIFBQPTLY-UHFFFAOYSA-N -1 3 374.400 3.469 20 0 FGADHM O=S(=O)([N-]C[C@H]1[C@@H]2c3ccccc3C[C@H]12)c1ccc(F)cc1Cl ZINC000486711618 502240300 /nfs/dbraw/zinc/24/03/00/502240300.db2.gz PIYSHADONWWKOD-CKEIUWERSA-N -1 3 351.830 3.343 20 0 FGADHM Cn1ncc2c1ncc(C(=O)NC1CC(F)(c3cccc(Cl)c3)C1)c2[O-] ZINC000483009143 502243648 /nfs/dbraw/zinc/24/36/48/502243648.db2.gz CXKOULLKAGKKQR-UHFFFAOYSA-N -1 3 374.803 3.085 20 0 FGADHM O=C(CCCc1ccc([O-])c(F)c1)NCc1cnn(Cc2ccccc2)c1 ZINC000468968285 502246800 /nfs/dbraw/zinc/24/68/00/502246800.db2.gz KZPQVWPHRSSWLQ-UHFFFAOYSA-N -1 3 367.424 3.415 20 0 FGADHM COCc1ccccc1S(=O)(=O)[N-]c1cc(C(=O)OC)ccc1Cl ZINC000486758180 502252069 /nfs/dbraw/zinc/25/20/69/502252069.db2.gz KDTUIWDNFVFHOU-UHFFFAOYSA-N -1 3 369.826 3.074 20 0 FGADHM 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ZINC000473851987 502725587 /nfs/dbraw/zinc/72/55/87/502725587.db2.gz SOFOCDILTNDJIF-INIZCTEOSA-N -1 3 371.828 3.083 20 0 FGADHM CC[C@@H](C[N-]S(=O)(=O)c1c(C)noc1C)Oc1ccccc1Cl ZINC000484770038 502735893 /nfs/dbraw/zinc/73/58/93/502735893.db2.gz MEFVOKAFXWRNCH-LBPRGKRZSA-N -1 3 358.847 3.081 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]C[C@@H](C)Sc2ccccc2)c(F)c1 ZINC000481037009 502736696 /nfs/dbraw/zinc/73/66/96/502736696.db2.gz KFFJPQLJKVDPLM-GFCCVEGCSA-N -1 3 355.456 3.293 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]C(C)(C)c2ccccc2OC)c(F)c1 ZINC000481050688 502741543 /nfs/dbraw/zinc/74/15/43/502741543.db2.gz OWEDYGQWNOHZKL-UHFFFAOYSA-N -1 3 353.415 3.057 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]Cc2ccc(-n3cccn3)cc2)sc1Cl ZINC000473900678 502743046 /nfs/dbraw/zinc/74/30/46/502743046.db2.gz DLDCOSLTLVASLA-UHFFFAOYSA-N -1 3 367.883 3.374 20 0 FGADHM CCN1CCC[C@@H](C[N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)C1 ZINC000473904228 502744150 /nfs/dbraw/zinc/74/41/50/502744150.db2.gz YRXRTWVEGLKJLJ-JTQLQIEISA-N -1 3 369.289 3.143 20 0 FGADHM Cc1nc(C)c(S(=O)(=O)[N-][C@H](c2ccccc2)c2ccccn2)s1 ZINC000481067983 502746762 /nfs/dbraw/zinc/74/67/62/502746762.db2.gz ALMHGTJRLGIERW-MRXNPFEDSA-N -1 3 359.476 3.223 20 0 FGADHM CCc1ccc(CN(C)C(=O)CSCc2nc(CC)cc(=O)[n-]2)cc1 ZINC000477353799 502752441 /nfs/dbraw/zinc/75/24/41/502752441.db2.gz OBLSHSHDZPTBFI-UHFFFAOYSA-N -1 3 359.495 3.199 20 0 FGADHM Cc1cc([N-]S(=O)(=O)c2cc(Cl)ccc2OCCC2CC2)ccn1 ZINC000488571504 502753549 /nfs/dbraw/zinc/75/35/49/502753549.db2.gz XMDVQTAUNNKVLZ-UHFFFAOYSA-N -1 3 366.870 3.445 20 0 FGADHM CCc1ccc(CC)c(NC(=O)c2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)c1 ZINC000481147546 502765615 /nfs/dbraw/zinc/76/56/15/502765615.db2.gz ZPBVQHFRLTWNMC-OAQYLSRUSA-N -1 3 365.433 3.118 20 0 FGADHM CCc1ccc(CC)c(NC(=O)c2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)c1 ZINC000481147544 502765853 /nfs/dbraw/zinc/76/58/53/502765853.db2.gz ZPBVQHFRLTWNMC-NRFANRHFSA-N -1 3 365.433 3.118 20 0 FGADHM Cn1[n-]c(-c2ccccc2Cl)nc1=NC(=O)C(C)(C)c1ccccc1 ZINC000484890555 502766952 /nfs/dbraw/zinc/76/69/52/502766952.db2.gz ZRRHTDHRUORTQX-UHFFFAOYSA-N -1 3 354.841 3.474 20 0 FGADHM O=C(N=c1cc(-c2cccc(F)c2)o[n-]1)c1ncccc1Br ZINC000481157584 502767659 /nfs/dbraw/zinc/76/76/59/502767659.db2.gz WETVDXGSCGIAQE-UHFFFAOYSA-N -1 3 362.158 3.312 20 0 FGADHM COc1cc(C)cc(NC(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)c1C ZINC000470435476 502772605 /nfs/dbraw/zinc/77/26/05/502772605.db2.gz BZRMKGVCUOSTHD-UHFFFAOYSA-N -1 3 366.414 3.075 20 0 FGADHM O=C([N-]c1nnc(-c2ccco2)s1)c1ccncc1Br ZINC000477459216 502778788 /nfs/dbraw/zinc/77/87/88/502778788.db2.gz YNGYSWRQIMJNRV-UHFFFAOYSA-N -1 3 351.185 3.208 20 0 FGADHM Cc1cc2c[nH]nc2c(C(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000488674883 502779378 /nfs/dbraw/zinc/77/93/78/502779378.db2.gz LXAQRBCGJYNZCN-UHFFFAOYSA-N -1 3 360.211 3.269 20 0 FGADHM Cc1ccc(F)c(S(=O)(=O)[N-][C@H](C)c2ccc(Br)cn2)c1 ZINC000481217991 502786834 /nfs/dbraw/zinc/78/68/34/502786834.db2.gz JIYVAPPHBHHCCU-SNVBAGLBSA-N -1 3 373.247 3.331 20 0 FGADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]C[C@@H]1CC[C@H](C)C1 ZINC000481224480 502789335 /nfs/dbraw/zinc/78/93/35/502789335.db2.gz GCJWHZLTBMSCGV-NWDGAFQWSA-N -1 3 367.492 3.402 20 0 FGADHM COc1ccc(-c2nnc([N-]C(=O)c3ncc(C)cc3OC)s2)cc1 ZINC000488792090 502810931 /nfs/dbraw/zinc/81/09/31/502810931.db2.gz GMYRLFRXLKBJNO-UHFFFAOYSA-N -1 3 356.407 3.178 20 0 FGADHM O=C(Cc1ccc([O-])cc1Cl)N1CCN(CCc2cccs2)CC1 ZINC000509094073 502819447 /nfs/dbraw/zinc/81/94/47/502819447.db2.gz OKLZEEPBTNAISL-UHFFFAOYSA-N -1 3 364.898 3.037 20 0 FGADHM CCCS(=O)(=O)[N-]c1cc(NC(=O)c2cc[nH]c2CC)c(F)cc1F ZINC000509139905 502830993 /nfs/dbraw/zinc/83/09/93/502830993.db2.gz OHBJTRZSKGDZDQ-UHFFFAOYSA-N -1 3 371.409 3.259 20 0 FGADHM CCN(C(=O)Cc1ccc([O-])cc1Cl)[C@H]1CCN(c2ccccc2)C1=O ZINC000509139525 502831029 /nfs/dbraw/zinc/83/10/29/502831029.db2.gz CZFMVKKZLVOSBL-SFHVURJKSA-N -1 3 372.852 3.242 20 0 FGADHM Cc1ccc(CS(=O)(=O)[N-]C[C@@]2(C)OCCc3sccc32)cc1F ZINC000582634678 506337170 /nfs/dbraw/zinc/33/71/70/506337170.db2.gz FRXYIBLKOLHNRL-QGZVFWFLSA-N -1 3 369.483 3.103 20 0 FGADHM CC[C@@H]1CCCCN1CCNC(=O)N=c1nc(-c2ccccc2)[n-]s1 ZINC000500729367 502849227 /nfs/dbraw/zinc/84/92/27/502849227.db2.gz GFDHNIIOXYIKRV-OAHLLOKOSA-N -1 3 359.499 3.013 20 0 FGADHM C[C@@H](C[N-]S(=O)(=O)c1cc(F)ccc1Cl)N(C)c1ccccc1 ZINC000488977421 502852853 /nfs/dbraw/zinc/85/28/53/502852853.db2.gz QQTPTUARAXZUFV-LBPRGKRZSA-N -1 3 356.850 3.282 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(CN(C)C)c2)cc1 ZINC000500778684 502861020 /nfs/dbraw/zinc/86/10/20/502861020.db2.gz KIOVXJXIJOBGKN-UHFFFAOYSA-N -1 3 354.859 3.211 20 0 FGADHM CC(C)(C[N-]S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2)C1CCCC1 ZINC000513146157 502863076 /nfs/dbraw/zinc/86/30/76/502863076.db2.gz ATZZRLUIZOKOKL-UHFFFAOYSA-N -1 3 368.474 3.205 20 0 FGADHM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2F)c1 ZINC000509393364 502891462 /nfs/dbraw/zinc/89/14/62/502891462.db2.gz XWWKTXDBMZYTLG-UHFFFAOYSA-N -1 3 359.325 3.431 20 0 FGADHM C[C@H](NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl)c1ccccc1F ZINC000509411249 502894908 /nfs/dbraw/zinc/89/49/08/502894908.db2.gz RYUHGULLFSRLPX-NSHDSACASA-N -1 3 374.840 3.247 20 0 FGADHM CC(C)(C)[C@@H](CCO)[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000509419550 502897340 /nfs/dbraw/zinc/89/73/40/502897340.db2.gz VGWFDUMOEVTYSN-GFCCVEGCSA-N -1 3 373.824 3.434 20 0 FGADHM CCN(C(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)c1ccc(F)cc1 ZINC000509427146 502899261 /nfs/dbraw/zinc/89/92/61/502899261.db2.gz SWLPQCQPQKYOJH-UHFFFAOYSA-N -1 3 354.378 3.003 20 0 FGADHM C[C@@H](NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl)c1cccc(F)c1 ZINC000509516028 502923799 /nfs/dbraw/zinc/92/37/99/502923799.db2.gz MKTHTJKUHGUUJG-LLVKDONJSA-N -1 3 374.840 3.247 20 0 FGADHM Cc1cc(Cl)ccc1NC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000513444748 502941013 /nfs/dbraw/zinc/94/10/13/502941013.db2.gz PCIONHIWWLIGQH-UHFFFAOYSA-N -1 3 356.806 3.411 20 0 FGADHM NC(=O)c1ccc(C(=O)[N-]c2cc(F)cc(Br)c2F)s1 ZINC000489381250 502943442 /nfs/dbraw/zinc/94/34/42/502943442.db2.gz SUXXSBUIJCNYLD-UHFFFAOYSA-N -1 3 361.167 3.140 20 0 FGADHM CCCCC[C@H]1CCCN1C(=O)CC[N-]S(=O)(=O)c1ccccc1F ZINC000489395073 502946103 /nfs/dbraw/zinc/94/61/03/502946103.db2.gz LVNNDMTVLUZSTE-HNNXBMFYSA-N -1 3 370.490 3.065 20 0 FGADHM Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)c1cc(C)nc(=O)[n-]1 ZINC000509609258 502947259 /nfs/dbraw/zinc/94/72/59/502947259.db2.gz PUHYYJHBZSEDAV-LLVKDONJSA-N -1 3 354.435 3.414 20 0 FGADHM CSc1cccc(F)c1C[N-]S(=O)(=O)Cc1c(F)cccc1F ZINC000509624262 502951260 /nfs/dbraw/zinc/95/12/60/502951260.db2.gz SZZAISKDOHTRRO-UHFFFAOYSA-N -1 3 361.410 3.445 20 0 FGADHM COc1ccc(C(=O)CCCC(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)cc1 ZINC000501226768 502962626 /nfs/dbraw/zinc/96/26/26/502962626.db2.gz CSEMRBXUXRWUDN-UHFFFAOYSA-N -1 3 368.393 3.373 20 0 FGADHM COc1ccc(C(=O)CCCC(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)cc1 ZINC000501226768 502962629 /nfs/dbraw/zinc/96/26/29/502962629.db2.gz CSEMRBXUXRWUDN-UHFFFAOYSA-N -1 3 368.393 3.373 20 0 FGADHM COc1ccc(C(=O)CCCC(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)cc1 ZINC000501226768 502962634 /nfs/dbraw/zinc/96/26/34/502962634.db2.gz CSEMRBXUXRWUDN-UHFFFAOYSA-N -1 3 368.393 3.373 20 0 FGADHM Cc1noc(C)c1S(=O)(=O)[N-]Cc1ccccc1OCCC(C)C ZINC000509691480 502969130 /nfs/dbraw/zinc/96/91/30/502969130.db2.gz CFYIGFSASHBUBK-UHFFFAOYSA-N -1 3 352.456 3.195 20 0 FGADHM CCc1nc(C(C)(C)[N-]S(=O)(=O)c2csc3ccccc32)no1 ZINC000509720206 502975110 /nfs/dbraw/zinc/97/51/10/502975110.db2.gz RFDYIHFBQLYGDH-UHFFFAOYSA-N -1 3 351.453 3.060 20 0 FGADHM CC[C@@H](C)[C@](C)(O)CNC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000489536085 502980782 /nfs/dbraw/zinc/98/07/82/502980782.db2.gz DLBKLVQFTUJTET-CWTRNNRKSA-N -1 3 358.442 3.076 20 0 FGADHM Cc1ccc2c(c1)CN(C(=O)c1ccc([N-]S(C)(=O)=O)cc1)C(C)(C)C2 ZINC000513626325 502984477 /nfs/dbraw/zinc/98/44/77/502984477.db2.gz WUDITSDFMUFCQY-UHFFFAOYSA-N -1 3 372.490 3.344 20 0 FGADHM Cc1noc2nc(C3CC3)cc(C(=O)N=c3cc(-c4ccccc4)[n-][nH]3)c12 ZINC000497567557 502990203 /nfs/dbraw/zinc/99/02/03/502990203.db2.gz JWOGJDTUFPFJSR-UHFFFAOYSA-N -1 3 359.389 3.473 20 0 FGADHM Cc1c(C(=O)N=c2cc(-c3ccccc3)[n-][nH]2)cnn1-c1ccccc1F ZINC000497580175 502993223 /nfs/dbraw/zinc/99/32/23/502993223.db2.gz YIOBLXFNCIOPIN-UHFFFAOYSA-N -1 3 361.380 3.384 20 0 FGADHM COc1cccc(CNC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)c1 ZINC000509851101 502998452 /nfs/dbraw/zinc/99/84/52/502998452.db2.gz IBIGXSGFUXUCJV-UHFFFAOYSA-N -1 3 364.405 3.488 20 0 FGADHM O=S(=O)([N-]C[C@H]1CCCCS1)c1cccc(OC(F)(F)F)c1F ZINC000489634092 503001825 /nfs/dbraw/zinc/00/18/25/503001825.db2.gz BFCYXFSROQBTMG-SECBINFHSA-N -1 3 373.393 3.288 20 0 FGADHM O=S(=O)([N-]C[C@@H]1CCCCS1)c1cccc(OC(F)(F)F)c1F ZINC000489634093 503002163 /nfs/dbraw/zinc/00/21/63/503002163.db2.gz BFCYXFSROQBTMG-VIFPVBQESA-N -1 3 373.393 3.288 20 0 FGADHM C[C@H](Cn1ccc2ccccc21)C(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000505932929 503015883 /nfs/dbraw/zinc/01/58/83/503015883.db2.gz DIWLYFDQHQGMGK-CQSZACIVSA-N -1 3 371.462 3.288 20 0 FGADHM CC(=O)[C@@H](C)CCCCC(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000513758150 503017919 /nfs/dbraw/zinc/01/79/19/503017919.db2.gz XLERKIKXKKDHCG-NSHDSACASA-N -1 3 366.259 3.243 20 0 FGADHM COCc1ccc(OC)c(S(=O)(=O)[N-][C@@H](CC(F)(F)F)C(C)C)c1 ZINC000509983424 503023631 /nfs/dbraw/zinc/02/36/31/503023631.db2.gz QGKRNIGPZFVKGL-LBPRGKRZSA-N -1 3 369.405 3.097 20 0 FGADHM COC(=O)C[C@H]([N-]S(=O)(=O)c1ccoc1)c1ccc2ccccc2c1 ZINC000509991647 503026166 /nfs/dbraw/zinc/02/61/66/503026166.db2.gz IGCABHOERGIOJE-KRWDZBQOSA-N -1 3 359.403 3.016 20 0 FGADHM O=C(C[N-]S(=O)(=O)CCc1cccc(Cl)c1)c1ccccc1Cl ZINC000510017556 503030277 /nfs/dbraw/zinc/03/02/77/503030277.db2.gz CUXCGTPECVMPPD-UHFFFAOYSA-N -1 3 372.273 3.338 20 0 FGADHM COc1cc(C(=O)Nc2cccn(Cc3ccc(F)cc3)c2=O)ccc1[O-] ZINC000510029476 503033739 /nfs/dbraw/zinc/03/37/39/503033739.db2.gz QFUFRPDFKJSMOB-UHFFFAOYSA-N -1 3 368.364 3.002 20 0 FGADHM CC[C@@H](CSc1ccccc1)[N-]S(=O)(=O)c1cn(C(C)C)cn1 ZINC000513847773 503035941 /nfs/dbraw/zinc/03/59/41/503035941.db2.gz SLHGEZAQVIEEKH-AWEZNQCLSA-N -1 3 353.513 3.313 20 0 FGADHM CC(C)n1cnc(S(=O)(=O)[N-]C[C@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000513851883 503036276 /nfs/dbraw/zinc/03/62/76/503036276.db2.gz YQYOHTTUMKGHNZ-RYUDHWBXSA-N -1 3 353.410 3.111 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)N1CCCN(c2ccccc2F)CC1 ZINC000497814744 503047418 /nfs/dbraw/zinc/04/74/18/503047418.db2.gz ZEVXZBRXFGHGJI-UHFFFAOYSA-N -1 3 361.392 3.092 20 0 FGADHM Cc1cc(C(=O)N[C@H](C)[C@@H](C)c2ccccc2C(F)(F)F)[n-]c(=O)n1 ZINC000501623115 503050656 /nfs/dbraw/zinc/05/06/56/503050656.db2.gz WATYVXVSMFEVPL-GHMZBOCLSA-N -1 3 353.344 3.431 20 0 FGADHM Cc1cc(C)cc(N(C)C(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)c1 ZINC000501694717 503061986 /nfs/dbraw/zinc/06/19/86/503061986.db2.gz AGVZSGMRZWZUOI-UHFFFAOYSA-N -1 3 350.415 3.091 20 0 FGADHM CCCCCc1ccc(NC(=O)[C@H]([N-]S(C)(=O)=O)[C@@H](C)CC)cc1 ZINC000510185022 503066179 /nfs/dbraw/zinc/06/61/79/503066179.db2.gz YZRAHZIEEZZZNE-WMLDXEAASA-N -1 3 354.516 3.322 20 0 FGADHM COC(=O)c1ccc(S(=O)(=O)[N-]C2(C(F)(F)F)CCCCC2)cc1 ZINC000510221747 503074075 /nfs/dbraw/zinc/07/40/75/503074075.db2.gz OSVZCVDVJANJPT-UHFFFAOYSA-N -1 3 365.373 3.017 20 0 FGADHM COc1cc(C(=O)Nc2c[nH]nc2-c2ccccc2F)cc(OC)c1[O-] ZINC000514066816 503078791 /nfs/dbraw/zinc/07/87/91/503078791.db2.gz AGTLBYJNGGIJSE-UHFFFAOYSA-N -1 3 357.341 3.191 20 0 FGADHM CCOC(=O)c1cccc(S(=O)(=O)[N-]c2cc(OC)ccc2Cl)c1 ZINC000501804759 503083792 /nfs/dbraw/zinc/08/37/92/503083792.db2.gz ZSNJHHCBGGTZNS-UHFFFAOYSA-N -1 3 369.826 3.326 20 0 FGADHM Cc1ccc(C=Cc2nc(SCC(=O)Nc3ccccc3[O-])n[nH]2)o1 ZINC000514108632 503090094 /nfs/dbraw/zinc/09/00/94/503090094.db2.gz BWEUTMWUJZKUBM-HJWRWDBZSA-N -1 3 356.407 3.313 20 0 FGADHM Cc1sc2nc(SCC(=O)Nc3ccccc3[O-])nc(N)c2c1C ZINC000514124345 503093751 /nfs/dbraw/zinc/09/37/51/503093751.db2.gz HPTBEFUMLHJPDO-UHFFFAOYSA-N -1 3 360.464 3.327 20 0 FGADHM Cc1nn(C)c(C)c1[C@@H]1COCCN1Cc1ccc([O-])c2nc(C)ccc12 ZINC000514131327 503095729 /nfs/dbraw/zinc/09/57/29/503095729.db2.gz WQJGJTZHSHBITN-SFHVURJKSA-N -1 3 366.465 3.173 20 0 FGADHM COC[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C)c1ccco1 ZINC000510352680 503097633 /nfs/dbraw/zinc/09/76/33/503097633.db2.gz CAHRUACASYEFPO-LBPRGKRZSA-N -1 3 363.357 3.273 20 0 FGADHM CC[C@H](C)N[C@H](C[N-]S(=O)(=O)c1cc(F)ccc1Cl)c1ccco1 ZINC000510363509 503100246 /nfs/dbraw/zinc/10/02/46/503100246.db2.gz LSMSUEWGVJKXLR-SMDDNHRTSA-N -1 3 374.865 3.480 20 0 FGADHM CCn1cnc(S(=O)(=O)[N-]C2(Cc3ccc(Cl)cc3)CCC2)c1 ZINC000490070214 503103641 /nfs/dbraw/zinc/10/36/41/503103641.db2.gz DSQSZQFNSXYNPD-UHFFFAOYSA-N -1 3 353.875 3.000 20 0 FGADHM CCOc1ccc(C(=O)NCC(=O)Nc2ccc(C(C)(C)C)cc2[O-])cc1 ZINC000501948456 503114515 /nfs/dbraw/zinc/11/45/15/503114515.db2.gz QCABQENREFFVJR-UHFFFAOYSA-N -1 3 370.449 3.457 20 0 FGADHM Cn1ccnc1[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)C1CC1 ZINC000510442132 503116391 /nfs/dbraw/zinc/11/63/91/503116391.db2.gz IFWSDMDHSOAKLW-LBPRGKRZSA-N -1 3 360.266 3.157 20 0 FGADHM COC(=O)c1c(C)nc(=O)[n-]c1S[C@@H](C)C(=O)c1cccc(Cl)c1 ZINC000506528894 503132147 /nfs/dbraw/zinc/13/21/47/503132147.db2.gz ZIKFECYHHJETCP-VIFPVBQESA-N -1 3 366.826 3.294 20 0 FGADHM COC(=O)C(C)(C)CS(=O)(=O)[N-]c1ccc2nc(C3CC3)sc2c1 ZINC000588844097 506354674 /nfs/dbraw/zinc/35/46/74/506354674.db2.gz LPRPLLVTPPIILF-UHFFFAOYSA-N -1 3 368.480 3.115 20 0 FGADHM COCC(C)(C)C[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000490310759 503152380 /nfs/dbraw/zinc/15/23/80/503152380.db2.gz NTKHSZHHDHJJKX-UHFFFAOYSA-N -1 3 370.696 3.053 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]CC(C)(C)c2ncccc2C)c(F)cc1F ZINC000514635922 503154975 /nfs/dbraw/zinc/15/49/75/503154975.db2.gz WGDZPFWNENAZBQ-UHFFFAOYSA-N -1 3 354.422 3.233 20 0 FGADHM CN(C(=O)c1cncc([N-]S(C)(=O)=O)c1)C1CCC(C(C)(C)C)CC1 ZINC000502192591 503160634 /nfs/dbraw/zinc/16/06/34/503160634.db2.gz QFIJGMXGGWPQDD-UHFFFAOYSA-N -1 3 367.515 3.130 20 0 FGADHM Cc1nnsc1C[N-]S(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000490424292 503170928 /nfs/dbraw/zinc/17/09/28/503170928.db2.gz ZREGUTZVQFPSSZ-UHFFFAOYSA-N -1 3 351.497 3.373 20 0 FGADHM C[C@H](NC(C)(C)CNC(=O)N1CCC[C@H](CC(=O)[O-])C1)c1ccccc1 ZINC000514781954 503191715 /nfs/dbraw/zinc/19/17/15/503191715.db2.gz OBCFYXYNLYDMQD-JKSUJKDBSA-N -1 3 361.486 3.012 20 0 FGADHM O=C(CC1(CCc2ccccc2)CCCC1)Nc1nnc(SCCO)[n-]1 ZINC000490567325 503197332 /nfs/dbraw/zinc/19/73/32/503197332.db2.gz OPGCUUBQLLRQOY-UHFFFAOYSA-N -1 3 374.510 3.411 20 0 FGADHM O=C(CC1(CCc2ccccc2)CCCC1)Nc1nc(SCCO)n[n-]1 ZINC000490567325 503197334 /nfs/dbraw/zinc/19/73/34/503197334.db2.gz OPGCUUBQLLRQOY-UHFFFAOYSA-N -1 3 374.510 3.411 20 0 FGADHM O=C(CC1(CCc2ccccc2)CCCC1)Nc1n[n-]c(SCCO)n1 ZINC000490567325 503197339 /nfs/dbraw/zinc/19/73/39/503197339.db2.gz OPGCUUBQLLRQOY-UHFFFAOYSA-N -1 3 374.510 3.411 20 0 FGADHM CCn1cc(S(=O)(=O)[N-][C@H](c2ccc(F)cc2)C(C)(C)C)nc1C ZINC000502462792 503204376 /nfs/dbraw/zinc/20/43/76/503204376.db2.gz BCWXHOIYUQKDNK-MRXNPFEDSA-N -1 3 353.463 3.416 20 0 FGADHM O=C1[C@@H]([N-]S(=O)(=O)C2CCCCC2)CCCN1c1ccccc1Cl ZINC000498565441 503212124 /nfs/dbraw/zinc/21/21/24/503212124.db2.gz YBQBRMRLTMWEOO-HNNXBMFYSA-N -1 3 370.902 3.088 20 0 FGADHM COc1cc(C(=O)N=c2cc(-c3cc(Cl)ccc3OC)[n-][nH]2)cc(C)n1 ZINC000507029333 503216236 /nfs/dbraw/zinc/21/62/36/503216236.db2.gz HBLYTGRGBSUDJI-UHFFFAOYSA-N -1 3 372.812 3.125 20 0 FGADHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2F)c2nccn21 ZINC000514912518 503225851 /nfs/dbraw/zinc/22/58/51/503225851.db2.gz VXHAXWDYFQGCON-KCJUWKMLSA-N -1 3 363.336 3.025 20 0 FGADHM O=C(c1ccc(Cl)cc1)N1CCN(Cc2c(F)ccc([O-])c2F)CC1 ZINC000507100796 503231422 /nfs/dbraw/zinc/23/14/22/503231422.db2.gz AYROPCOEMMKMIH-UHFFFAOYSA-N -1 3 366.795 3.282 20 0 FGADHM CCCn1c(=O)[n-]c(=O)c2c(C(=O)NC(C)(CC)CC)cc(C(C)C)nc21 ZINC000498687995 503238967 /nfs/dbraw/zinc/23/89/67/503238967.db2.gz FCDZZNQPMVSNLJ-UHFFFAOYSA-N -1 3 374.485 3.339 20 0 FGADHM COc1ccc(C[N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)cn1 ZINC000511043764 503240794 /nfs/dbraw/zinc/24/07/94/503240794.db2.gz GSXGCMILSHWJMD-UHFFFAOYSA-N -1 3 361.250 3.184 20 0 FGADHM CCOc1ccc2c(c1)C[C@H](C(=O)N1CCCc3cccc([O-])c31)CO2 ZINC000490898896 503243639 /nfs/dbraw/zinc/24/36/39/503243639.db2.gz SKNUEPDQTRTLRT-INIZCTEOSA-N -1 3 353.418 3.321 20 0 FGADHM Cc1cc(OCCCC(=O)N=c2cc(OC(F)F)n(C)[n-]2)ccc1Cl ZINC000490916668 503245266 /nfs/dbraw/zinc/24/52/66/503245266.db2.gz HCOJQLRLWRVOPI-UHFFFAOYSA-N -1 3 373.787 3.203 20 0 FGADHM Cc1nc(C)c(CC(=O)NCC[C@H](c2ccccc2)C(F)(F)F)c(=O)[n-]1 ZINC000490933398 503249359 /nfs/dbraw/zinc/24/93/59/503249359.db2.gz KMPNRQVEYIZINU-OAHLLOKOSA-N -1 3 367.371 3.194 20 0 FGADHM COc1cc(=NC(=O)N[C@@H]2CCC[C@@H](c3cccc(Cl)c3)C2)[n-]n1C ZINC000515039800 503256112 /nfs/dbraw/zinc/25/61/12/503256112.db2.gz VXJDAMIONBZWDS-UKRRQHHQSA-N -1 3 362.861 3.352 20 0 FGADHM Cn1[n-]c(=NC(=O)c2ccccc2Cc2ccccc2)cc1OC(F)F ZINC000491018649 503260907 /nfs/dbraw/zinc/26/09/07/503260907.db2.gz LEHARMBVIVRUPI-UHFFFAOYSA-N -1 3 357.360 3.287 20 0 FGADHM CC(C)c1cccc(-n2cc([O-])c(C(=O)N[C@H](C)C3=CCN(C)CC3)n2)c1 ZINC000498793003 503265213 /nfs/dbraw/zinc/26/52/13/503265213.db2.gz NHCLJJNHQARMSF-OAHLLOKOSA-N -1 3 368.481 3.082 20 0 FGADHM Cn1[n-]c(=NC(=O)c2cc(C3CC3)nc3ccccc32)cc1OC(F)F ZINC000491084730 503270609 /nfs/dbraw/zinc/27/06/09/503270609.db2.gz ZZMFCUUULOUAMZ-UHFFFAOYSA-N -1 3 358.348 3.121 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCN(Cc3ccccc3)CC2(C)C)o1 ZINC000511174021 503273919 /nfs/dbraw/zinc/27/39/19/503273919.db2.gz VQVYSGWPFZFLLO-QGZVFWFLSA-N -1 3 362.495 3.167 20 0 FGADHM O=C([C@H]1CC[C@@H]1c1ccc(Cl)cc1F)N1CCc2c(=O)[n-]cnc2C1 ZINC000515206068 503292184 /nfs/dbraw/zinc/29/21/84/503292184.db2.gz QJIKIEGLZIINNT-YPMHNXCESA-N -1 3 361.804 3.053 20 0 FGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)[C@H]1CCCC(F)(F)C1 ZINC000511284595 503293505 /nfs/dbraw/zinc/29/35/05/503293505.db2.gz JKGMAHHEJZWOCR-VIFPVBQESA-N -1 3 358.186 3.283 20 0 FGADHM CC(C)c1csc(C[N-]S(=O)(=O)Cc2cc(C(C)(C)C)on2)n1 ZINC000515303928 503310582 /nfs/dbraw/zinc/31/05/82/503310582.db2.gz MXUPEFBKIZSDLJ-UHFFFAOYSA-N -1 3 357.501 3.172 20 0 FGADHM CC[C@@H](C)n1ncc2c1nc(C)cc2C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000511392266 503312902 /nfs/dbraw/zinc/31/29/02/503312902.db2.gz UGLHLIVHWFVYFI-MRVPVSSYSA-N -1 3 367.335 3.100 20 0 FGADHM CC[C@@H](C)n1ncc2c1nc(C)cc2C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000511392266 503312906 /nfs/dbraw/zinc/31/29/06/503312906.db2.gz UGLHLIVHWFVYFI-MRVPVSSYSA-N -1 3 367.335 3.100 20 0 FGADHM CC(C)(C)C(=O)c1ccc(NC(=O)C(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000491501124 503314100 /nfs/dbraw/zinc/31/41/00/503314100.db2.gz UGXFTTHWVBVPTQ-UHFFFAOYSA-N -1 3 372.396 3.015 20 0 FGADHM COC(C)(C)C[N-]S(=O)(=O)c1cc(Cl)ccc1OCCC1CC1 ZINC000491562166 503319406 /nfs/dbraw/zinc/31/94/06/503319406.db2.gz WHSOOLGVMWNOMA-UHFFFAOYSA-N -1 3 361.891 3.222 20 0 FGADHM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H](C)c2ccccc2)c(Cl)c1 ZINC000507559593 503322672 /nfs/dbraw/zinc/32/26/72/503322672.db2.gz FINHXTNSUSDZQH-GFCCVEGCSA-N -1 3 367.854 3.209 20 0 FGADHM CSc1ncc(Cl)c(C(=O)[N-]c2cc(C3(C)CCCC3)on2)n1 ZINC000515412209 503332886 /nfs/dbraw/zinc/33/28/86/503332886.db2.gz XQOCMPCMKXKCGK-UHFFFAOYSA-N -1 3 352.847 3.346 20 0 FGADHM CCN1CCN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)[C@H](C)C1 ZINC000511541777 503340570 /nfs/dbraw/zinc/34/05/70/503340570.db2.gz MOFAAKDFMVUNKE-GFCCVEGCSA-N -1 3 358.467 3.183 20 0 FGADHM O=C(Nc1ccc(OC(F)F)c2ncccc12)c1cc(F)cc2[n-]nnc21 ZINC000503128453 503352612 /nfs/dbraw/zinc/35/26/12/503352612.db2.gz BRWDIVSUXHKNDB-UHFFFAOYSA-N -1 3 373.294 3.499 20 0 FGADHM O=C(Nc1ccc(OC(F)F)c2ncccc12)c1cc(F)cc2nn[n-]c21 ZINC000503128453 503352616 /nfs/dbraw/zinc/35/26/16/503352616.db2.gz BRWDIVSUXHKNDB-UHFFFAOYSA-N -1 3 373.294 3.499 20 0 FGADHM O=C(Nc1ccc(OC(F)F)c2ncccc12)c1cc(F)cc2n[n-]nc21 ZINC000503128453 503352618 /nfs/dbraw/zinc/35/26/18/503352618.db2.gz BRWDIVSUXHKNDB-UHFFFAOYSA-N -1 3 373.294 3.499 20 0 FGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H](C)Cn2cccn2)c1Cl ZINC000515525400 503357925 /nfs/dbraw/zinc/35/79/25/503357925.db2.gz QZDZHSRQYVAVMQ-SNVBAGLBSA-N -1 3 362.282 3.113 20 0 FGADHM CCC(CC)c1nnc([N-]C(=O)c2nnn(Cc3ccncc3)c2C)s1 ZINC000507809002 503370581 /nfs/dbraw/zinc/37/05/81/503370581.db2.gz SZKCXYLEMSAJRF-UHFFFAOYSA-N -1 3 371.470 3.037 20 0 FGADHM COC(=O)c1c(C)c(C)sc1[N-]C(=O)c1cnc(-c2ncccn2)s1 ZINC000503258694 503379424 /nfs/dbraw/zinc/37/94/24/503379424.db2.gz WGWJBZQGQWTVCM-UHFFFAOYSA-N -1 3 374.447 3.317 20 0 FGADHM c1cc(-c2noc(-c3ccc(OC4CCOCC4)cc3)n2)cc2n[n-]nc12 ZINC000515656362 503380966 /nfs/dbraw/zinc/38/09/66/503380966.db2.gz AQUYFAKKICLKIS-UHFFFAOYSA-N -1 3 363.377 3.233 20 0 FGADHM O=C1C[C@@H](NCc2c(F)ccc([O-])c2F)CN1c1ccc(Cl)c(F)c1 ZINC000511757962 503381879 /nfs/dbraw/zinc/38/18/79/503381879.db2.gz PXMWCPOYSLXJGF-SECBINFHSA-N -1 3 370.758 3.358 20 0 FGADHM O=S(=O)([N-]Cc1ccc(F)cc1C(F)(F)F)c1cccc(F)c1 ZINC000515733425 503392661 /nfs/dbraw/zinc/39/26/61/503392661.db2.gz QFSDVWNFEXQKPX-UHFFFAOYSA-N -1 3 351.296 3.462 20 0 FGADHM Cc1c([N-]S(=O)(=O)CCc2cccc(Cl)c2)cnn1CC(C)C ZINC000507918025 503395543 /nfs/dbraw/zinc/39/55/43/503395543.db2.gz AZZAGBOJSIEKSG-UHFFFAOYSA-N -1 3 355.891 3.485 20 0 FGADHM COc1cc2c(cc1F)[n-]cc(C(=O)N[C@@H](C)CCc1ccccc1)c2=O ZINC000507953043 503403424 /nfs/dbraw/zinc/40/34/24/503403424.db2.gz TXMVGIRAMYAXIL-ZDUSSCGKSA-N -1 3 368.408 3.427 20 0 FGADHM COC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1CCC[C@@H](CC(C)C)C1 ZINC000499441477 503405763 /nfs/dbraw/zinc/40/57/63/503405763.db2.gz GWCLCDNXPSCXCP-ZDUSSCGKSA-N -1 3 366.483 3.066 20 0 FGADHM CC(C)CC[C@@H](NC(=O)c1cncc([N-]S(C)(=O)=O)c1)C(C)(C)C ZINC000503425026 503406813 /nfs/dbraw/zinc/40/68/13/503406813.db2.gz WSKRKSXANFXGSH-OAHLLOKOSA-N -1 3 355.504 3.034 20 0 FGADHM CCN(CC[C@H](C(=O)[O-])c1ccccc1)[C@H]1CCN(c2ccccc2)C1=O ZINC000515856289 503412766 /nfs/dbraw/zinc/41/27/66/503412766.db2.gz QSJIHYDOMNRRGT-PMACEKPBSA-N -1 3 366.461 3.372 20 0 FGADHM O=C(Nc1ccc(-c2noc(C(F)F)n2)cc1)c1cc(F)cc2[n-]nnc21 ZINC000503482181 503418267 /nfs/dbraw/zinc/41/82/67/503418267.db2.gz JPBXHTDUPGDUMP-UHFFFAOYSA-N -1 3 374.282 3.337 20 0 FGADHM O=C(Nc1ccc(-c2noc(C(F)F)n2)cc1)c1cc(F)cc2nn[n-]c21 ZINC000503482181 503418272 /nfs/dbraw/zinc/41/82/72/503418272.db2.gz JPBXHTDUPGDUMP-UHFFFAOYSA-N -1 3 374.282 3.337 20 0 FGADHM O=C(Nc1ccc(-c2noc(C(F)F)n2)cc1)c1cc(F)cc2n[n-]nc21 ZINC000503482181 503418276 /nfs/dbraw/zinc/41/82/76/503418276.db2.gz JPBXHTDUPGDUMP-UHFFFAOYSA-N -1 3 374.282 3.337 20 0 FGADHM CCCCN(Cc1ccccc1F)C(=O)c1cnc2c(cnn2C)c1[O-] ZINC000511955582 503422912 /nfs/dbraw/zinc/42/29/12/503422912.db2.gz NVGJLLGUWWQTCL-UHFFFAOYSA-N -1 3 356.401 3.256 20 0 FGADHM COc1ccccc1S(=O)(=O)[N-]CC(F)(F)c1ccc(Cl)cc1 ZINC000508085974 503427453 /nfs/dbraw/zinc/42/74/53/503427453.db2.gz QVDBSKJAMIMMJK-UHFFFAOYSA-N -1 3 361.797 3.419 20 0 FGADHM CCOC(=O)c1ncc([N-]C(=O)c2cnc([C@@H](C)OCC)s2)s1 ZINC000499540038 503427981 /nfs/dbraw/zinc/42/79/81/503427981.db2.gz CDHKNRCEMFUULG-MRVPVSSYSA-N -1 3 355.441 3.126 20 0 FGADHM CCCCCN(C(=O)c1cncc([N-]S(C)(=O)=O)c1)[C@@H](C)CCC ZINC000503540186 503433266 /nfs/dbraw/zinc/43/32/66/503433266.db2.gz LVXCYVXRHOBPRV-AWEZNQCLSA-N -1 3 355.504 3.274 20 0 FGADHM CCCCOCC[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000493550819 503433591 /nfs/dbraw/zinc/43/35/91/503433591.db2.gz RRCNRRWDHHRYOS-UHFFFAOYSA-N -1 3 370.696 3.198 20 0 FGADHM C[C@@H](c1ccc(F)cc1)N(C)C(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000493575085 503434139 /nfs/dbraw/zinc/43/41/39/503434139.db2.gz BLTLJRDBFHBBLF-NSHDSACASA-N -1 3 368.405 3.170 20 0 FGADHM Cc1cc(Br)ccc1CNC(=O)c1cc(F)cc2nn[n-]c21 ZINC000503548288 503434787 /nfs/dbraw/zinc/43/47/87/503434787.db2.gz KEEDULUZYAAOTO-UHFFFAOYSA-N -1 3 363.190 3.098 20 0 FGADHM Cc1cc(Br)ccc1CNC(=O)c1cc(F)cc2[n-]nnc21 ZINC000503548288 503434789 /nfs/dbraw/zinc/43/47/89/503434789.db2.gz KEEDULUZYAAOTO-UHFFFAOYSA-N -1 3 363.190 3.098 20 0 FGADHM Cc1cc(Br)ccc1CNC(=O)c1cc(F)cc2n[n-]nc21 ZINC000503548288 503434791 /nfs/dbraw/zinc/43/47/91/503434791.db2.gz KEEDULUZYAAOTO-UHFFFAOYSA-N -1 3 363.190 3.098 20 0 FGADHM O=C(Cc1ccc(Br)cc1[O-])N1CCC[C@H]1[C@H]1CCCC1=O ZINC000493617187 503435089 /nfs/dbraw/zinc/43/50/89/503435089.db2.gz ARNQADHCBKZMMG-KGLIPLIRSA-N -1 3 366.255 3.057 20 0 FGADHM Cc1nc(C)c(CC(=O)N[C@@H](C)Cc2ccccc2C(F)(F)F)c(=O)[n-]1 ZINC000508198895 503451834 /nfs/dbraw/zinc/45/18/34/503451834.db2.gz ZLZNBPLVPPMVLY-JTQLQIEISA-N -1 3 367.371 3.108 20 0 FGADHM O=C(NCc1ccnc(Oc2ccc(F)cc2)c1)c1ccc2n[n-]nc2c1 ZINC000503674825 503456890 /nfs/dbraw/zinc/45/68/90/503456890.db2.gz ZTRZIIQDEAWBNE-UHFFFAOYSA-N -1 3 363.352 3.214 20 0 FGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C)[C@H]2CCCOC2)c1Cl ZINC000503741792 503467795 /nfs/dbraw/zinc/46/77/95/503467795.db2.gz YEPIYWFFUMYDQJ-QWRGUYRKSA-N -1 3 352.283 3.395 20 0 FGADHM O=C(c1cc(F)cc2[n-]nnc21)N1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000503757143 503468633 /nfs/dbraw/zinc/46/86/33/503468633.db2.gz OQZGPGOCYSSBJD-LLVKDONJSA-N -1 3 360.776 3.044 20 0 FGADHM O=C(c1cc(F)cc2nn[n-]c21)N1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000503757143 503468637 /nfs/dbraw/zinc/46/86/37/503468637.db2.gz OQZGPGOCYSSBJD-LLVKDONJSA-N -1 3 360.776 3.044 20 0 FGADHM O=C(c1cc(F)cc2n[n-]nc21)N1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000503757143 503468640 /nfs/dbraw/zinc/46/86/40/503468640.db2.gz OQZGPGOCYSSBJD-LLVKDONJSA-N -1 3 360.776 3.044 20 0 FGADHM CCn1cc(S(=O)(=O)[N-][C@]2(c3ccc(Cl)cc3)C[C@@H]2C)nc1C ZINC000499747852 503473087 /nfs/dbraw/zinc/47/30/87/503473087.db2.gz HOXMKEOLXINCNW-MEDUHNTESA-N -1 3 353.875 3.078 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(NCc3c4c(nn3C)CCCC4)nc2)n1 ZINC000516223104 503475442 /nfs/dbraw/zinc/47/54/42/503475442.db2.gz ZFQOOPVUQNXUQC-UHFFFAOYSA-N -1 3 364.453 3.031 20 0 FGADHM O=S(=O)([N-]CCc1ccc2c(c1)CCO2)c1c(Cl)cccc1Cl ZINC000512174862 503476312 /nfs/dbraw/zinc/47/63/12/503476312.db2.gz KMFPQAXKWQFSLD-UHFFFAOYSA-N -1 3 372.273 3.449 20 0 FGADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]Cc1cn2cccc(C)c2n1 ZINC000503853905 503478921 /nfs/dbraw/zinc/47/89/21/503478921.db2.gz ISOGVKLASVBEBE-UHFFFAOYSA-N -1 3 373.409 3.315 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)C3(c4ccccc4OC)CC3)[n-]c21 ZINC000494090082 503485862 /nfs/dbraw/zinc/48/58/62/503485862.db2.gz VXFRAHXJRJHQQO-UHFFFAOYSA-N -1 3 365.389 3.028 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)C3(c4ccccc4OC)CC3)nc21 ZINC000494090082 503485867 /nfs/dbraw/zinc/48/58/67/503485867.db2.gz VXFRAHXJRJHQQO-UHFFFAOYSA-N -1 3 365.389 3.028 20 0 FGADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N[C@H]1CCC[C@H](c2ccccc2)C1 ZINC000516370186 503502937 /nfs/dbraw/zinc/50/29/37/503502937.db2.gz ALNAWZGPBYTPSN-GJZGRUSLSA-N -1 3 363.417 3.418 20 0 FGADHM Cc1cc([N-]C(=O)[C@H](C)N(C)Cc2ccc(Br)c(F)c2)on1 ZINC000494263038 503515188 /nfs/dbraw/zinc/51/51/88/503515188.db2.gz UUDCDXHVYHLAAP-JTQLQIEISA-N -1 3 370.222 3.344 20 0 FGADHM Cc1noc(C)c1S(=O)(=O)[N-]CC1(c2cccc(F)c2F)CCCC1 ZINC000494424157 503539314 /nfs/dbraw/zinc/53/93/14/503539314.db2.gz HYQKIVYNMWLMDN-UHFFFAOYSA-N -1 3 370.421 3.360 20 0 FGADHM Cc1ccc([O-])c(NC(=O)[C@H](NC(=O)c2ccccc2)c2ccccc2)n1 ZINC000504258107 503544868 /nfs/dbraw/zinc/54/48/68/503544868.db2.gz NMZORBPIETUXRO-GOSISDBHSA-N -1 3 361.401 3.205 20 0 FGADHM 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/nfs/dbraw/zinc/87/33/62/506873362.db2.gz BZCLRHBBZQWICO-AWEZNQCLSA-N -1 3 372.421 3.481 20 0 FGADHM COC(=O)c1ccc(C(=O)Nc2c(-c3ccccc3)nc3n2CCCC3)[n-]1 ZINC000600280580 506886472 /nfs/dbraw/zinc/88/64/72/506886472.db2.gz UTNVTKPDLRMHLH-UHFFFAOYSA-N -1 3 364.405 3.253 20 0 FGADHM CCc1cccc(C(=O)Nc2ccc(Cc3nnc4n3CCC4)cc2)c1[O-] ZINC000583668767 506904473 /nfs/dbraw/zinc/90/44/73/506904473.db2.gz NUJJITZNPJRIPF-UHFFFAOYSA-N -1 3 362.433 3.335 20 0 FGADHM C[C@@H]1C[C@H]1c1ccc(C[N-]S(=O)(=O)c2cnc3onc(C4CC4)c3c2)o1 ZINC000583682162 506914147 /nfs/dbraw/zinc/91/41/47/506914147.db2.gz AJTXTJRNACQTTJ-QMTHXVAHSA-N -1 3 373.434 3.295 20 0 FGADHM COCCOc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C)c2)cc1C ZINC000590696278 506914984 /nfs/dbraw/zinc/91/49/84/506914984.db2.gz MNJYSNHJVJXHCE-UHFFFAOYSA-N -1 3 353.415 3.269 20 0 FGADHM COc1cc(CCC(=O)N2CCCc3cccc([O-])c32)cc(OC)c1O ZINC000613158214 506945162 /nfs/dbraw/zinc/94/51/62/506945162.db2.gz FHPUCRNCRYOQIR-UHFFFAOYSA-N -1 3 357.406 3.027 20 0 FGADHM CC(C)c1ccc(CCCNC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)cc1 ZINC000604892571 506978861 /nfs/dbraw/zinc/97/88/61/506978861.db2.gz PNWDFAXCTCTOOI-UHFFFAOYSA-N -1 3 365.433 3.448 20 0 FGADHM COc1ccc(N2C[C@@H](C(=O)Nc3cc(Cl)cc(C)c3[O-])CC2=O)cc1 ZINC000604901689 506982619 /nfs/dbraw/zinc/98/26/19/506982619.db2.gz WTNPDPUSYRIUTQ-LBPRGKRZSA-N -1 3 374.824 3.354 20 0 FGADHM CS(=O)(=O)[N-]c1ccc(C(=O)N[C@H]2CCC[C@@H]2c2ccccc2)cc1 ZINC000600606556 507030877 /nfs/dbraw/zinc/03/08/77/507030877.db2.gz WNOPFSARZDQGCI-MSOLQXFVSA-N -1 3 358.463 3.124 20 0 FGADHM Cc1cc(F)ccc1N1CCC[C@H]([N-]S(=O)(=O)c2cccs2)C1 ZINC000605005762 507032925 /nfs/dbraw/zinc/03/29/25/507032925.db2.gz PRSVKPMXAVDXGX-AWEZNQCLSA-N -1 3 354.472 3.143 20 0 FGADHM CC1(C)Cc2ccc(C(=O)N3CCC[C@@H](OCC(F)(F)F)C3)c([O-])c2O1 ZINC000590960356 507060592 /nfs/dbraw/zinc/06/05/92/507060592.db2.gz TUAWNFROCKXVOX-GFCCVEGCSA-N -1 3 373.371 3.289 20 0 FGADHM CC(C)(C)OC(=O)CC1(C(=O)NCc2ccc([O-])c3ncccc23)CCC1 ZINC000597732760 507080385 /nfs/dbraw/zinc/08/03/85/507080385.db2.gz YSBIVZROMVZLSC-UHFFFAOYSA-N -1 3 370.449 3.459 20 0 FGADHM COC(=O)[C@@H]1CN(C(=O)CCCc2ccc([O-])c(F)c2)Cc2ccccc21 ZINC000600753488 507100681 /nfs/dbraw/zinc/10/06/81/507100681.db2.gz BALDOTSPPUVZRK-QGZVFWFLSA-N -1 3 371.408 3.153 20 0 FGADHM CCCCN(C)c1ccc(C(=O)Nc2nc(C)[n-]c2C(=O)OCC)cc1 ZINC000610109039 507102321 /nfs/dbraw/zinc/10/23/21/507102321.db2.gz ZPVGUXSRZQTTKZ-UHFFFAOYSA-N -1 3 358.442 3.383 20 0 FGADHM CCCCN(C)c1ccc(C(=O)Nc2[n-]c(C)nc2C(=O)OCC)cc1 ZINC000610109039 507102326 /nfs/dbraw/zinc/10/23/26/507102326.db2.gz ZPVGUXSRZQTTKZ-UHFFFAOYSA-N -1 3 358.442 3.383 20 0 FGADHM O=C(N[C@H](c1ccc(F)cc1)C1CCCC1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000605182437 507103496 /nfs/dbraw/zinc/10/34/96/507103496.db2.gz SQOBWKYNLOZBAM-SFHVURJKSA-N -1 3 366.392 3.371 20 0 FGADHM COC(=O)c1cc(Cl)cc(NC(=O)CCc2scnc2C)c1[O-] ZINC000591080716 507103724 /nfs/dbraw/zinc/10/37/24/507103724.db2.gz XHJDMWPFSSMFEO-UHFFFAOYSA-N -1 3 354.815 3.168 20 0 FGADHM 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/nfs/dbraw/zinc/13/24/99/507132499.db2.gz MTXOMJWTFDPGKQ-UHFFFAOYSA-N -1 3 357.790 3.375 20 0 FGADHM COC(=O)[C@@H](C[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)CC(C)C ZINC000610211823 507139172 /nfs/dbraw/zinc/13/91/72/507139172.db2.gz ZZUGAUKKIQWUOO-SNVBAGLBSA-N -1 3 368.282 3.107 20 0 FGADHM COc1ccc(CN(C)C)cc1[N-]S(=O)(=O)c1ccc(C2CC2)cc1 ZINC000584094598 507149342 /nfs/dbraw/zinc/14/93/42/507149342.db2.gz VKDIIWGBSUOBKJ-UHFFFAOYSA-N -1 3 360.479 3.435 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1cccs1)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC000594484218 507150142 /nfs/dbraw/zinc/15/01/42/507150142.db2.gz IOARFXITUNNKCX-RWMBFGLXSA-N -1 3 373.540 3.419 20 0 FGADHM COCc1cccc2sc(NC(=O)CCc3c(C)nc(C)[n-]c3=O)nc21 ZINC000591267191 507175007 /nfs/dbraw/zinc/17/50/07/507175007.db2.gz KSQYNESCTTXSFW-UHFFFAOYSA-N -1 3 372.450 3.126 20 0 FGADHM CC(C)(C)OC(=O)C[C@H](NCc1ccc(CC(F)(F)F)cc1)C(=O)[O-] ZINC000600942321 507202139 /nfs/dbraw/zinc/20/21/39/507202139.db2.gz ZYWJOAZXWCSJSB-ZDUSSCGKSA-N -1 3 361.360 3.066 20 0 FGADHM CC(C)(C)OC(=O)C[C@@H](NCc1ccc(CC(F)(F)F)cc1)C(=O)[O-] ZINC000600942320 507202379 /nfs/dbraw/zinc/20/23/79/507202379.db2.gz ZYWJOAZXWCSJSB-CYBMUJFWSA-N -1 3 361.360 3.066 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-][C@@H](CN2CCCC2)c2ccccc2)c(F)c1 ZINC000591388638 507230663 /nfs/dbraw/zinc/23/06/63/507230663.db2.gz SBPRSAIKRYSIKH-SFHVURJKSA-N -1 3 362.470 3.250 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]CCCCN(C)c2ccccc2)c(F)c1 ZINC000591389193 507230944 /nfs/dbraw/zinc/23/09/44/507230944.db2.gz WAISYNSSUPXIEF-UHFFFAOYSA-N -1 3 350.459 3.329 20 0 FGADHM CCOc1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1CC=CCC1 ZINC000605593842 507255616 /nfs/dbraw/zinc/25/56/16/507255616.db2.gz ZTOGMXGHEGRPFM-GFCCVEGCSA-N -1 3 360.273 3.235 20 0 FGADHM CCOc1ccc(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)c2ncccc12 ZINC000584301644 507267675 /nfs/dbraw/zinc/26/76/75/507267675.db2.gz ZQNRMFZAYYVYIU-UHFFFAOYSA-N -1 3 350.378 3.259 20 0 FGADHM C[C@H]1Oc2ccccc2[C@@H]1[N-]S(=O)(=O)c1ccccc1-c1ccno1 ZINC000584343193 507292301 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/nfs/dbraw/zinc/69/42/63/520694263.db2.gz YWSQGHAVGYKYPT-UHFFFAOYSA-N -1 3 358.467 3.275 20 0 FGADHM CCN=c1[n-]c(C(=O)Nc2cnc(OC)c(Br)c2C)cs1 ZINC000617895208 520771498 /nfs/dbraw/zinc/77/14/98/520771498.db2.gz HLHZESHSCIIDCJ-UHFFFAOYSA-N -1 3 371.260 3.302 20 0 FGADHM Cn1cc(I)c(=NC(=O)C2CCC(C)(C)CC2)[n-]1 ZINC000602382495 521311284 /nfs/dbraw/zinc/31/12/84/521311284.db2.gz SRABYVGXQYOEGF-UHFFFAOYSA-N -1 3 361.227 3.180 20 0 FGADHM COc1ccccc1-c1cc(=NC(=O)[C@H]2C[C@@H](C)Cc3c[nH]nc32)[nH][n-]1 ZINC000623189203 521835550 /nfs/dbraw/zinc/83/55/50/521835550.db2.gz YHDWMZWWNNQHTE-FZMZJTMJSA-N -1 3 351.410 3.113 20 0 FGADHM CCO[C@@H](C(=O)N=c1[nH][n-]c(CC)c1-c1ccc2c(c1)OCO2)C1CC1 ZINC000629966344 522555298 /nfs/dbraw/zinc/55/52/98/522555298.db2.gz NNRDVLYLUNZQIP-QGZVFWFLSA-N -1 3 357.410 3.121 20 0 FGADHM CCC[C@@H](C)N1C[C@@H](C(=O)N=c2[nH][n-]c(C)c2-c2ccccc2F)CC1=O ZINC000630024332 522586103 /nfs/dbraw/zinc/58/61/03/522586103.db2.gz NOSKYOYRLBFUKE-OCCSQVGLSA-N -1 3 372.444 3.500 20 0 FGADHM Cc1ccccc1C(=O)NCC(=O)N=c1cc(-c2cccc(Cl)c2)[n-][nH]1 ZINC000622892401 523534159 /nfs/dbraw/zinc/53/41/59/523534159.db2.gz NZGKWLJLFHEPOH-UHFFFAOYSA-N -1 3 368.824 3.407 20 0 FGADHM CCCCOCCNC(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482141358 561249121 /nfs/dbraw/zinc/24/91/21/561249121.db2.gz MMUVCNSIIAEJOK-UHFFFAOYSA-N -1 3 355.236 3.035 20 0 FGADHM CC[C@H]1CCCCN1CCNC(=O)N=c1[n-]nc(CC(F)(F)F)s1 ZINC000483992838 561289199 /nfs/dbraw/zinc/28/91/99/561289199.db2.gz HLOYXZDXUOXSJR-JTQLQIEISA-N -1 3 365.425 3.029 20 0 FGADHM Cn1[n-]c(=NC(=O)Cc2cscc2Br)cc1OC(F)F ZINC000501527781 561599701 /nfs/dbraw/zinc/59/97/01/561599701.db2.gz MDEIQAASZZBITO-UHFFFAOYSA-N -1 3 366.187 3.027 20 0 FGADHM Cc1ccc(CCC(=O)NCC(=O)N=c2cc(-c3ccccc3)[n-][nH]2)cc1 ZINC000501924315 561608113 /nfs/dbraw/zinc/60/81/13/561608113.db2.gz OCXOIZXWGGGBPG-UHFFFAOYSA-N -1 3 362.433 3.073 20 0 FGADHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1cccc(OC[C@H]2CCCO2)c1 ZINC000525967171 562261514 /nfs/dbraw/zinc/26/15/14/562261514.db2.gz UDGPTGYRNQRVCZ-WBVHZDCISA-N -1 3 357.410 3.071 20 0 FGADHM COc1ccc(-n2nc(C(=O)N=c3cc([C@@H]4CCCO4)[n-][nH]3)cc2C)cc1 ZINC000473852855 561059069 /nfs/dbraw/zinc/05/90/69/561059069.db2.gz VJJCCLFWVVAMCT-KRWDZBQOSA-N -1 3 367.409 3.016 20 0 FGADHM COc1cccc(-c2nc(C(=O)[N-]c3n[nH]c4cc(F)ccc43)no2)c1 ZINC000476789553 561128560 /nfs/dbraw/zinc/12/85/60/561128560.db2.gz FAUOIKDWVVEUME-UHFFFAOYSA-N -1 3 353.313 3.013 20 0 FGADHM CCc1ccc([O-])c(C(=O)N2CCCN(Cc3ccc(OC)cc3)CC2)c1 ZINC000522776003 568129028 /nfs/dbraw/zinc/12/90/28/568129028.db2.gz KPJCRVKFISVTRR-UHFFFAOYSA-N -1 3 368.477 3.311 20 0 FGADHM COc1cc(NC(=O)c2c[n-]nc2-c2cccc(OC(F)F)c2)ccn1 ZINC000647745062 568334323 /nfs/dbraw/zinc/33/43/23/568334323.db2.gz ULHSQWPREFPALM-UHFFFAOYSA-N -1 3 360.320 3.334 20 0 FGADHM COc1cc(NC(=O)c2cn[n-]c2-c2cccc(OC(F)F)c2)ccn1 ZINC000647745062 568334324 /nfs/dbraw/zinc/33/43/24/568334324.db2.gz ULHSQWPREFPALM-UHFFFAOYSA-N -1 3 360.320 3.334 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)NCCc1ccc(F)cc1Cl ZINC000737800079 598823341 /nfs/dbraw/zinc/82/33/41/598823341.db2.gz KFHARQSCGDFHPY-SOFGYWHQSA-N -1 3 371.803 3.031 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)NCCc1ccc(F)cc1Cl ZINC000737800079 598823342 /nfs/dbraw/zinc/82/33/42/598823342.db2.gz KFHARQSCGDFHPY-SOFGYWHQSA-N -1 3 371.803 3.031 20 0 FGADHM O=C(OCCF)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000738223883 598824014 /nfs/dbraw/zinc/82/40/14/598824014.db2.gz YHYHELJYPBGGMU-UHFFFAOYSA-N -1 3 362.748 3.439 20 0 FGADHM O=C1[C@@H](Sc2ccc(-c3nnn[n-]3)cc2)CCN1c1ccc(Cl)cc1 ZINC000738298201 598825704 /nfs/dbraw/zinc/82/57/04/598825704.db2.gz XGIXMDREMRXNJH-HNNXBMFYSA-N -1 3 371.853 3.418 20 0 FGADHM O=C1[C@@H](Sc2ccc(-c3nn[n-]n3)cc2)CCN1c1ccc(Cl)cc1 ZINC000738298201 598825705 /nfs/dbraw/zinc/82/57/05/598825705.db2.gz XGIXMDREMRXNJH-HNNXBMFYSA-N -1 3 371.853 3.418 20 0 FGADHM O=C(Cc1c[nH]c2ccc(Cl)cc12)Nc1ccccc1-c1nnn[n-]1 ZINC000737953856 598829795 /nfs/dbraw/zinc/82/97/95/598829795.db2.gz FDATVDFQBDQNKZ-UHFFFAOYSA-N -1 3 352.785 3.183 20 0 FGADHM O=C(Cc1c[nH]c2ccc(Cl)cc12)Nc1ccccc1-c1nn[n-]n1 ZINC000737953856 598829797 /nfs/dbraw/zinc/82/97/97/598829797.db2.gz FDATVDFQBDQNKZ-UHFFFAOYSA-N -1 3 352.785 3.183 20 0 FGADHM O=C(Cc1c[nH]c2ccc(Cl)cc12)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737954497 598832711 /nfs/dbraw/zinc/83/27/11/598832711.db2.gz NNLXTOUCBMHFDZ-UHFFFAOYSA-N -1 3 370.775 3.322 20 0 FGADHM O=C(Cc1c[nH]c2ccc(Cl)cc12)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737954497 598832712 /nfs/dbraw/zinc/83/27/12/598832712.db2.gz NNLXTOUCBMHFDZ-UHFFFAOYSA-N -1 3 370.775 3.322 20 0 FGADHM CC[C@H](c1ccncc1)N(CC)C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000736397801 598838682 /nfs/dbraw/zinc/83/86/82/598838682.db2.gz VUUBQHHSCALXSI-HJCTWCACSA-N -1 3 362.437 3.275 20 0 FGADHM CC[C@H](c1ccncc1)N(CC)C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000736397801 598838683 /nfs/dbraw/zinc/83/86/83/598838683.db2.gz VUUBQHHSCALXSI-HJCTWCACSA-N -1 3 362.437 3.275 20 0 FGADHM CSc1nc(C2CC2)cc(C(=O)NCCCC(C)(C)C)c1-c1nnn[n-]1 ZINC000737189563 598848659 /nfs/dbraw/zinc/84/86/59/598848659.db2.gz OMNVCNLZZCMGEO-UHFFFAOYSA-N -1 3 374.514 3.417 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)Nc1ccc(CC)cc1 ZINC000736634611 598850723 /nfs/dbraw/zinc/85/07/23/598850723.db2.gz NUJFOCOTBNNGJD-UHFFFAOYSA-N -1 3 352.398 3.472 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)Nc1ccc(CC)cc1 ZINC000736634611 598850725 /nfs/dbraw/zinc/85/07/25/598850725.db2.gz NUJFOCOTBNNGJD-UHFFFAOYSA-N -1 3 352.398 3.472 20 0 FGADHM Cc1nnc(NCC2(c3cccc(Cl)c3)CC2)c(-c2nnn[n-]2)c1C ZINC000737522491 598855049 /nfs/dbraw/zinc/85/50/49/598855049.db2.gz UVTLSBKCVRPJOQ-UHFFFAOYSA-N -1 3 355.833 3.071 20 0 FGADHM Cc1nnc(NCC2(c3cccc(Cl)c3)CC2)c(-c2nn[n-]n2)c1C ZINC000737522491 598855051 /nfs/dbraw/zinc/85/50/51/598855051.db2.gz UVTLSBKCVRPJOQ-UHFFFAOYSA-N -1 3 355.833 3.071 20 0 FGADHM C[C@@](O)(CNc1ccc(-c2nn[n-]n2)cc1C(F)(F)F)c1cccs1 ZINC000736142909 598857504 /nfs/dbraw/zinc/85/75/04/598857504.db2.gz PZWYTSADJDDBGG-CQSZACIVSA-N -1 3 369.372 3.267 20 0 FGADHM CCOC(=O)CCc1ccc(NCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000736594983 598857698 /nfs/dbraw/zinc/85/76/98/598857698.db2.gz GIYVCERHYLHOIB-UHFFFAOYSA-N -1 3 369.400 3.114 20 0 FGADHM CCOC(=O)CCc1ccc(NCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000736594983 598857700 /nfs/dbraw/zinc/85/77/00/598857700.db2.gz GIYVCERHYLHOIB-UHFFFAOYSA-N -1 3 369.400 3.114 20 0 FGADHM CCSc1cccc(NC(=O)CNc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736668092 598868912 /nfs/dbraw/zinc/86/89/12/598868912.db2.gz VNGYPBZBRJPRKF-UHFFFAOYSA-N -1 3 354.439 3.029 20 0 FGADHM COC(=O)[C@H](Nc1ccc2ccccc2c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736895751 598878358 /nfs/dbraw/zinc/87/83/58/598878358.db2.gz GIYVPXFAIKTKEE-GOSISDBHSA-N -1 3 359.389 3.346 20 0 FGADHM COC(=O)[C@H](Nc1ccc2ccccc2c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736895751 598878359 /nfs/dbraw/zinc/87/83/59/598878359.db2.gz GIYVPXFAIKTKEE-GOSISDBHSA-N -1 3 359.389 3.346 20 0 FGADHM COC(=O)[C@H](Nc1ccc(C)c(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736896358 598878489 /nfs/dbraw/zinc/87/84/89/598878489.db2.gz IUXOVQRLDZUHBS-OAHLLOKOSA-N -1 3 357.801 3.155 20 0 FGADHM COC(=O)[C@H](Nc1ccc(C)c(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736896358 598878491 /nfs/dbraw/zinc/87/84/91/598878491.db2.gz IUXOVQRLDZUHBS-OAHLLOKOSA-N -1 3 357.801 3.155 20 0 FGADHM COC(=O)[C@H](Nc1ccc(C(C)(C)C)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736899239 598878697 /nfs/dbraw/zinc/87/86/97/598878697.db2.gz UVTRDTBWNLYZAY-QGZVFWFLSA-N -1 3 365.437 3.490 20 0 FGADHM COC(=O)[C@H](Nc1ccc(C(C)(C)C)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736899239 598878698 /nfs/dbraw/zinc/87/86/98/598878698.db2.gz UVTRDTBWNLYZAY-QGZVFWFLSA-N -1 3 365.437 3.490 20 0 FGADHM COC(=O)[C@@H](N[C@@H](C)c1cc(C)cc(C)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736895480 598884743 /nfs/dbraw/zinc/88/47/43/598884743.db2.gz JYLGPQXSNNHGSP-KSSFIOAISA-N -1 3 365.437 3.048 20 0 FGADHM COC(=O)[C@@H](N[C@@H](C)c1cc(C)cc(C)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736895480 598884744 /nfs/dbraw/zinc/88/47/44/598884744.db2.gz JYLGPQXSNNHGSP-KSSFIOAISA-N -1 3 365.437 3.048 20 0 FGADHM COC(=O)[C@@H](NC(CC(C)C)CC(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736896417 598884415 /nfs/dbraw/zinc/88/44/15/598884415.db2.gz NARCANNWTDGBFH-KRWDZBQOSA-N -1 3 359.474 3.131 20 0 FGADHM COC(=O)[C@@H](NC(CC(C)C)CC(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736896417 598884416 /nfs/dbraw/zinc/88/44/16/598884416.db2.gz NARCANNWTDGBFH-KRWDZBQOSA-N -1 3 359.474 3.131 20 0 FGADHM CC[C@H](c1ccncc1)N(CC)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736394191 598888863 /nfs/dbraw/zinc/88/88/63/598888863.db2.gz BCNRCXIBNFQSRH-MRXNPFEDSA-N -1 3 351.414 3.267 20 0 FGADHM CC[C@H](c1ccncc1)N(CC)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736394191 598888864 /nfs/dbraw/zinc/88/88/64/598888864.db2.gz BCNRCXIBNFQSRH-MRXNPFEDSA-N -1 3 351.414 3.267 20 0 FGADHM Cc1cccc2c1CCCN2C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000737408129 598909222 /nfs/dbraw/zinc/90/92/22/598909222.db2.gz GIWBMUXNJGRRIY-UHFFFAOYSA-N -1 3 365.462 3.247 20 0 FGADHM Cc1cccc2c1CCCN2C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000737408129 598909223 /nfs/dbraw/zinc/90/92/23/598909223.db2.gz GIWBMUXNJGRRIY-UHFFFAOYSA-N -1 3 365.462 3.247 20 0 FGADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)Nc1ccnc(Oc2ccccc2)c1 ZINC000737955855 598910807 /nfs/dbraw/zinc/91/08/07/598910807.db2.gz NJODAORVCIEZLL-UHFFFAOYSA-N -1 3 372.388 3.235 20 0 FGADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)Nc1ccnc(Oc2ccccc2)c1 ZINC000737955855 598910809 /nfs/dbraw/zinc/91/08/09/598910809.db2.gz NJODAORVCIEZLL-UHFFFAOYSA-N -1 3 372.388 3.235 20 0 FGADHM C[C@@H](NC(=O)NCc1coc2ccccc12)c1ccc(-c2nnn[n-]2)cc1 ZINC000736119200 598920010 /nfs/dbraw/zinc/92/00/10/598920010.db2.gz RMFCXMSRDFQFTC-GFCCVEGCSA-N -1 3 362.393 3.173 20 0 FGADHM C[C@@H](NC(=O)NCc1coc2ccccc12)c1ccc(-c2nn[n-]n2)cc1 ZINC000736119200 598920011 /nfs/dbraw/zinc/92/00/11/598920011.db2.gz RMFCXMSRDFQFTC-GFCCVEGCSA-N -1 3 362.393 3.173 20 0 FGADHM CCOc1ccc(SCCOc2ccc(-c3nnn[n-]3)cc2OC)cc1 ZINC000736651518 598937829 /nfs/dbraw/zinc/93/78/29/598937829.db2.gz OXEKHEJAHKZONZ-UHFFFAOYSA-N -1 3 372.450 3.445 20 0 FGADHM CCOc1ccc(SCCOc2ccc(-c3nn[n-]n3)cc2OC)cc1 ZINC000736651518 598937830 /nfs/dbraw/zinc/93/78/30/598937830.db2.gz OXEKHEJAHKZONZ-UHFFFAOYSA-N -1 3 372.450 3.445 20 0 FGADHM CC[C@@H]1CCC[C@H](NC(=O)[C@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)C1 ZINC000736394751 598941620 /nfs/dbraw/zinc/94/16/20/598941620.db2.gz FHMFLBDLTACPDR-RVKKMQEKSA-N -1 3 371.485 3.355 20 0 FGADHM CC[C@@H]1CCC[C@H](NC(=O)[C@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)C1 ZINC000736394751 598941622 /nfs/dbraw/zinc/94/16/22/598941622.db2.gz FHMFLBDLTACPDR-RVKKMQEKSA-N -1 3 371.485 3.355 20 0 FGADHM O=C(N[C@@H]1C[C@@H]1c1c(F)cccc1Cl)c1sccc1-c1nnn[n-]1 ZINC000738018913 598941685 /nfs/dbraw/zinc/94/16/85/598941685.db2.gz FKGVLUNOQIUKMT-GZMMTYOYSA-N -1 3 363.805 3.007 20 0 FGADHM O=C(N[C@@H]1C[C@@H]1c1c(F)cccc1Cl)c1sccc1-c1nn[n-]n1 ZINC000738018913 598941687 /nfs/dbraw/zinc/94/16/87/598941687.db2.gz FKGVLUNOQIUKMT-GZMMTYOYSA-N -1 3 363.805 3.007 20 0 FGADHM CC[C@@H]1CCC[C@@H](NC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736396629 598942570 /nfs/dbraw/zinc/94/25/70/598942570.db2.gz OBJAXSVFSAEQRI-CZUORRHYSA-N -1 3 359.499 3.185 20 0 FGADHM CC[C@@H]1CCC[C@@H](NC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736396629 598942572 /nfs/dbraw/zinc/94/25/72/598942572.db2.gz OBJAXSVFSAEQRI-CZUORRHYSA-N -1 3 359.499 3.185 20 0 FGADHM Cc1ccccc1C[C@H]1CCCN1c1ncc(-c2nnn[n-]2)cc1Cl ZINC000737426061 598942747 /nfs/dbraw/zinc/94/27/47/598942747.db2.gz IOPKDPJSRATVIT-OAHLLOKOSA-N -1 3 354.845 3.435 20 0 FGADHM Cc1ccccc1C[C@H]1CCCN1c1ncc(-c2nn[n-]n2)cc1Cl ZINC000737426061 598942748 /nfs/dbraw/zinc/94/27/48/598942748.db2.gz IOPKDPJSRATVIT-OAHLLOKOSA-N -1 3 354.845 3.435 20 0 FGADHM Cc1ccccc1C[C@@H]1CCCN1c1ncc(-c2nnn[n-]2)cc1Cl ZINC000737426060 598942884 /nfs/dbraw/zinc/94/28/84/598942884.db2.gz IOPKDPJSRATVIT-HNNXBMFYSA-N -1 3 354.845 3.435 20 0 FGADHM Cc1ccccc1C[C@@H]1CCCN1c1ncc(-c2nn[n-]n2)cc1Cl ZINC000737426060 598942886 /nfs/dbraw/zinc/94/28/86/598942886.db2.gz IOPKDPJSRATVIT-HNNXBMFYSA-N -1 3 354.845 3.435 20 0 FGADHM CCN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000736565161 598948462 /nfs/dbraw/zinc/94/84/62/598948462.db2.gz REOJZWKLTZASKP-UHFFFAOYSA-N -1 3 371.466 3.007 20 0 FGADHM CCN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000736565161 598948465 /nfs/dbraw/zinc/94/84/65/598948465.db2.gz REOJZWKLTZASKP-UHFFFAOYSA-N -1 3 371.466 3.007 20 0 FGADHM CCOC(=O)[C@@H](C)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736586162 598960838 /nfs/dbraw/zinc/96/08/38/598960838.db2.gz MQAMPRHZBFNXME-GFCCVEGCSA-N -1 3 353.382 3.023 20 0 FGADHM CCOC(=O)[C@@H](C)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736586162 598960839 /nfs/dbraw/zinc/96/08/39/598960839.db2.gz MQAMPRHZBFNXME-GFCCVEGCSA-N -1 3 353.382 3.023 20 0 FGADHM OCC[C@@H](Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1cccs1 ZINC000738394627 598977364 /nfs/dbraw/zinc/97/73/64/598977364.db2.gz TWRVFKIWUMISBY-GFCCVEGCSA-N -1 3 369.372 3.483 20 0 FGADHM OCC[C@@H](Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1cccs1 ZINC000738394627 598977366 /nfs/dbraw/zinc/97/73/66/598977366.db2.gz TWRVFKIWUMISBY-GFCCVEGCSA-N -1 3 369.372 3.483 20 0 FGADHM CCC(CC)NC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000736345225 598978572 /nfs/dbraw/zinc/97/85/72/598978572.db2.gz GKYRVZNPIGRYNG-UHFFFAOYSA-N -1 3 365.437 3.364 20 0 FGADHM CCC(CC)NC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000736345225 598978574 /nfs/dbraw/zinc/97/85/74/598978574.db2.gz GKYRVZNPIGRYNG-UHFFFAOYSA-N -1 3 365.437 3.364 20 0 FGADHM O=C(CCC1CC1)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000737822163 598986419 /nfs/dbraw/zinc/98/64/19/598986419.db2.gz CADMAQYPVCIGPQ-UHFFFAOYSA-N -1 3 354.439 3.043 20 0 FGADHM O=C(CCC1CC1)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000737822163 598986421 /nfs/dbraw/zinc/98/64/21/598986421.db2.gz CADMAQYPVCIGPQ-UHFFFAOYSA-N -1 3 354.439 3.043 20 0 FGADHM Cc1cccnc1[C@@H](NC(=O)CCc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000737435428 599009401 /nfs/dbraw/zinc/00/94/01/599009401.db2.gz NQTLXHFXLJDVJO-SFHVURJKSA-N -1 3 364.453 3.016 20 0 FGADHM Cc1cccnc1[C@@H](NC(=O)CCc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000737435428 599009403 /nfs/dbraw/zinc/00/94/03/599009403.db2.gz NQTLXHFXLJDVJO-SFHVURJKSA-N -1 3 364.453 3.016 20 0 FGADHM O=C1[C@@H](Sc2ccc(-c3nnn[n-]3)cc2)CCCN1c1cccc(F)c1 ZINC000738298095 599013949 /nfs/dbraw/zinc/01/39/49/599013949.db2.gz WBAWKVIFBAICRR-INIZCTEOSA-N -1 3 369.425 3.294 20 0 FGADHM O=C1[C@@H](Sc2ccc(-c3nn[n-]n3)cc2)CCCN1c1cccc(F)c1 ZINC000738298095 599013951 /nfs/dbraw/zinc/01/39/51/599013951.db2.gz WBAWKVIFBAICRR-INIZCTEOSA-N -1 3 369.425 3.294 20 0 FGADHM O=C(c1cccc(-c2nnn[n-]2)c1)N(Cc1ccc(F)cc1)CC1CC1 ZINC000738271587 599016377 /nfs/dbraw/zinc/01/63/77/599016377.db2.gz YMKZCTCUUIHWRW-UHFFFAOYSA-N -1 3 351.385 3.058 20 0 FGADHM O=C(c1cccc(-c2nn[n-]n2)c1)N(Cc1ccc(F)cc1)CC1CC1 ZINC000738271587 599016379 /nfs/dbraw/zinc/01/63/79/599016379.db2.gz YMKZCTCUUIHWRW-UHFFFAOYSA-N -1 3 351.385 3.058 20 0 FGADHM Cc1cccc([C@@H](C)NC(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)c1C ZINC000737390774 599018800 /nfs/dbraw/zinc/01/88/00/599018800.db2.gz VIBPAVAEHDSBNH-HUUCEWRRSA-N -1 3 365.437 3.128 20 0 FGADHM Cc1cccc([C@@H](C)NC(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)c1C ZINC000737390774 599018802 /nfs/dbraw/zinc/01/88/02/599018802.db2.gz VIBPAVAEHDSBNH-HUUCEWRRSA-N -1 3 365.437 3.128 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)NCc1ccccc1CC ZINC000736634519 599020576 /nfs/dbraw/zinc/02/05/76/599020576.db2.gz JRCZHTDTUXWBPJ-UHFFFAOYSA-N -1 3 366.425 3.150 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)NCc1ccccc1CC ZINC000736634519 599020578 /nfs/dbraw/zinc/02/05/78/599020578.db2.gz JRCZHTDTUXWBPJ-UHFFFAOYSA-N -1 3 366.425 3.150 20 0 FGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C[C@H](C)c1cccnc1 ZINC000735973013 599026269 /nfs/dbraw/zinc/02/62/69/599026269.db2.gz BJBVKIONGMDWTK-HNNXBMFYSA-N -1 3 364.453 3.193 20 0 FGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C[C@H](C)c1cccnc1 ZINC000735973013 599026271 /nfs/dbraw/zinc/02/62/71/599026271.db2.gz BJBVKIONGMDWTK-HNNXBMFYSA-N -1 3 364.453 3.193 20 0 FGADHM O=C(OCCCOc1ccccc1Cl)c1sccc1-c1nnn[n-]1 ZINC000738220444 599027543 /nfs/dbraw/zinc/02/75/43/599027543.db2.gz IRWKFFDWFIKKQR-UHFFFAOYSA-N -1 3 364.814 3.208 20 0 FGADHM C[C@H](CCc1ccco1)Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000735992698 599037972 /nfs/dbraw/zinc/03/79/72/599037972.db2.gz LFZWXHYFORXJTK-SECBINFHSA-N -1 3 352.320 3.307 20 0 FGADHM C[C@H](CCc1ccco1)Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000735992698 599037975 /nfs/dbraw/zinc/03/79/75/599037975.db2.gz LFZWXHYFORXJTK-SECBINFHSA-N -1 3 352.320 3.307 20 0 FGADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(N[C@@H]2CCOc3ccccc32)n1 ZINC000737631050 599040331 /nfs/dbraw/zinc/04/03/31/599040331.db2.gz CKPMBCJWTIBASM-LLVKDONJSA-N -1 3 362.315 3.216 20 0 FGADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(N[C@@H]2CCOc3ccccc32)n1 ZINC000737631050 599040334 /nfs/dbraw/zinc/04/03/34/599040334.db2.gz CKPMBCJWTIBASM-LLVKDONJSA-N -1 3 362.315 3.216 20 0 FGADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(N2CCC[C@H]2c2cccnc2)n1 ZINC000737633653 599041573 /nfs/dbraw/zinc/04/15/73/599041573.db2.gz UOERMDMUASIDAJ-LBPRGKRZSA-N -1 3 361.331 3.017 20 0 FGADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(N2CCC[C@H]2c2cccnc2)n1 ZINC000737633653 599041576 /nfs/dbraw/zinc/04/15/76/599041576.db2.gz UOERMDMUASIDAJ-LBPRGKRZSA-N -1 3 361.331 3.017 20 0 FGADHM CN(c1nc(C(F)(F)F)ccc1-c1nnn[n-]1)[C@H]1CCc2ccccc21 ZINC000736843249 599041729 /nfs/dbraw/zinc/04/17/29/599041729.db2.gz IQEUILYPOKOOPB-ZDUSSCGKSA-N -1 3 360.343 3.404 20 0 FGADHM CN(c1nc(C(F)(F)F)ccc1-c1nn[n-]n1)[C@H]1CCc2ccccc21 ZINC000736843249 599041732 /nfs/dbraw/zinc/04/17/32/599041732.db2.gz IQEUILYPOKOOPB-ZDUSSCGKSA-N -1 3 360.343 3.404 20 0 FGADHM C[C@@H]1CCCC[C@H]1OCCNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000736267564 599044284 /nfs/dbraw/zinc/04/42/84/599044284.db2.gz BPGXYCUFSULDGJ-ZYHUDNBSSA-N -1 3 370.379 3.288 20 0 FGADHM C[C@@H]1CCCC[C@H]1OCCNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000736267564 599044287 /nfs/dbraw/zinc/04/42/87/599044287.db2.gz BPGXYCUFSULDGJ-ZYHUDNBSSA-N -1 3 370.379 3.288 20 0 FGADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1CCOC2(CCCCC2)C1 ZINC000822336938 599055619 /nfs/dbraw/zinc/05/56/19/599055619.db2.gz UUBSKOGYJXOXPN-UHFFFAOYSA-N -1 3 364.453 3.263 20 0 FGADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N1CCOC2(CCCCC2)C1 ZINC000822336938 599055622 /nfs/dbraw/zinc/05/56/22/599055622.db2.gz UUBSKOGYJXOXPN-UHFFFAOYSA-N -1 3 364.453 3.263 20 0 FGADHM Cc1cc(Sc2ccc(-c3nnn[n-]3)cc2F)nc(-c2ccccn2)n1 ZINC000822213084 599057171 /nfs/dbraw/zinc/05/71/71/599057171.db2.gz TXVWZSPQJMEAAM-UHFFFAOYSA-N -1 3 365.397 3.317 20 0 FGADHM Cc1cc(Sc2ccc(-c3nn[n-]n3)cc2F)nc(-c2ccccn2)n1 ZINC000822213084 599057174 /nfs/dbraw/zinc/05/71/74/599057174.db2.gz TXVWZSPQJMEAAM-UHFFFAOYSA-N -1 3 365.397 3.317 20 0 FGADHM Cc1ccc(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2F)cc1C ZINC000737356963 599064297 /nfs/dbraw/zinc/06/42/97/599064297.db2.gz LEDZQDKSAXZTLS-UHFFFAOYSA-N -1 3 357.414 3.353 20 0 FGADHM Cc1ccc(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2F)cc1C ZINC000737356963 599064301 /nfs/dbraw/zinc/06/43/01/599064301.db2.gz LEDZQDKSAXZTLS-UHFFFAOYSA-N -1 3 357.414 3.353 20 0 FGADHM Cc1ccc(N2CCC[C@@H](Nc3nc(C)cc(C)c3-c3nnn[n-]3)C2)cc1 ZINC000822242613 599064964 /nfs/dbraw/zinc/06/49/64/599064964.db2.gz RBJUOMQCRPOSOG-MRXNPFEDSA-N -1 3 363.469 3.268 20 0 FGADHM Cc1ccc(N2CCC[C@@H](Nc3nc(C)cc(C)c3-c3nn[n-]n3)C2)cc1 ZINC000822242613 599064967 /nfs/dbraw/zinc/06/49/67/599064967.db2.gz RBJUOMQCRPOSOG-MRXNPFEDSA-N -1 3 363.469 3.268 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000737292666 599073712 /nfs/dbraw/zinc/07/37/12/599073712.db2.gz WYELWTUYQYGDQJ-OLZOCXBDSA-N -1 3 355.348 3.196 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000737292666 599073715 /nfs/dbraw/zinc/07/37/15/599073715.db2.gz WYELWTUYQYGDQJ-OLZOCXBDSA-N -1 3 355.348 3.196 20 0 FGADHM Cc1ccc(N(C)C(C)C)c(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000737346950 599075538 /nfs/dbraw/zinc/07/55/38/599075538.db2.gz JOERGUAERBOBIP-UHFFFAOYSA-N -1 3 368.416 3.411 20 0 FGADHM Cc1ccc(N(C)C(C)C)c(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000737346950 599075544 /nfs/dbraw/zinc/07/55/44/599075544.db2.gz JOERGUAERBOBIP-UHFFFAOYSA-N -1 3 368.416 3.411 20 0 FGADHM Fc1ccc(-c2nn[n-]n2)cc1CN1CCSC[C@@H]1c1ccccc1 ZINC000737648950 599081375 /nfs/dbraw/zinc/08/13/75/599081375.db2.gz JQLQOZQEYCOEKK-QGZVFWFLSA-N -1 3 355.442 3.296 20 0 FGADHM CCc1ccc([C@H]2CCCCN2C(=O)c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000736684942 599084400 /nfs/dbraw/zinc/08/44/00/599084400.db2.gz IFLCHNIDKYTICW-MRXNPFEDSA-N -1 3 351.410 3.390 20 0 FGADHM CCc1ccc([C@H]2CCCCN2C(=O)c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000736684942 599084403 /nfs/dbraw/zinc/08/44/03/599084403.db2.gz IFLCHNIDKYTICW-MRXNPFEDSA-N -1 3 351.410 3.390 20 0 FGADHM CC[C@@](C)(NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1nc(C)cs1 ZINC000736313752 599088264 /nfs/dbraw/zinc/08/82/64/599088264.db2.gz JLJYWACRFCJHNO-HJCTWCACSA-N -1 3 368.466 3.086 20 0 FGADHM CC[C@@](C)(NC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1nc(C)cs1 ZINC000736313752 599088266 /nfs/dbraw/zinc/08/82/66/599088266.db2.gz JLJYWACRFCJHNO-HJCTWCACSA-N -1 3 368.466 3.086 20 0 FGADHM CO[C@@H](CNc1nc2c(cc1-c1nnn[n-]1)CCC2)c1cccc(Cl)c1 ZINC000821678941 599090878 /nfs/dbraw/zinc/09/08/78/599090878.db2.gz UWVOQYWGZZDSCF-INIZCTEOSA-N -1 3 370.844 3.203 20 0 FGADHM CO[C@@H](CNc1nc2c(cc1-c1nn[n-]n1)CCC2)c1cccc(Cl)c1 ZINC000821678941 599090881 /nfs/dbraw/zinc/09/08/81/599090881.db2.gz UWVOQYWGZZDSCF-INIZCTEOSA-N -1 3 370.844 3.203 20 0 FGADHM c1ccc(Cc2noc(CSc3ccccc3-c3nnn[n-]3)n2)cc1 ZINC000738433164 599111706 /nfs/dbraw/zinc/11/17/06/599111706.db2.gz PEBUTEVEVMNFNN-UHFFFAOYSA-N -1 3 350.407 3.133 20 0 FGADHM c1ccc(Cc2noc(CSc3ccccc3-c3nn[n-]n3)n2)cc1 ZINC000738433164 599111710 /nfs/dbraw/zinc/11/17/10/599111710.db2.gz PEBUTEVEVMNFNN-UHFFFAOYSA-N -1 3 350.407 3.133 20 0 FGADHM CCO[C@H]1C[C@@H](Nc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)C12CCC2 ZINC000736611993 599119395 /nfs/dbraw/zinc/11/93/95/599119395.db2.gz LFGUJYJXAYJPNG-NEPJUHHUSA-N -1 3 368.363 3.040 20 0 FGADHM CCO[C@H]1C[C@@H](Nc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)C12CCC2 ZINC000736611993 599119396 /nfs/dbraw/zinc/11/93/96/599119396.db2.gz LFGUJYJXAYJPNG-NEPJUHHUSA-N -1 3 368.363 3.040 20 0 FGADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N(C)CCOc1ccccc1 ZINC000737409527 599121817 /nfs/dbraw/zinc/12/18/17/599121817.db2.gz PBTZCPOPPNMQGG-UHFFFAOYSA-N -1 3 360.421 3.239 20 0 FGADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N(C)CCOc1ccccc1 ZINC000737409527 599121819 /nfs/dbraw/zinc/12/18/19/599121819.db2.gz PBTZCPOPPNMQGG-UHFFFAOYSA-N -1 3 360.421 3.239 20 0 FGADHM CN(C)c1noc(-c2ccc(Sc3ccccc3-c3nnn[n-]3)cc2)n1 ZINC000821592720 607258872 /nfs/dbraw/zinc/25/88/72/607258872.db2.gz ROBYFPBURRQNBR-UHFFFAOYSA-N -1 3 365.422 3.134 20 0 FGADHM CN(C)c1noc(-c2ccc(Sc3ccccc3-c3nn[n-]n3)cc2)n1 ZINC000821592720 607258873 /nfs/dbraw/zinc/25/88/73/607258873.db2.gz ROBYFPBURRQNBR-UHFFFAOYSA-N -1 3 365.422 3.134 20 0 FGADHM C[C@H](CCc1ccccc1F)C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820253978 599136433 /nfs/dbraw/zinc/13/64/33/599136433.db2.gz LHDXMUFNZVFJML-KGLIPLIRSA-N -1 3 367.428 3.452 20 0 FGADHM C[C@H](CCc1ccccc1F)C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820253978 599136435 /nfs/dbraw/zinc/13/64/35/599136435.db2.gz LHDXMUFNZVFJML-KGLIPLIRSA-N -1 3 367.428 3.452 20 0 FGADHM C[C@H](NC(=O)[C@]1(C)CCc2ccccc2C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820321444 599136732 /nfs/dbraw/zinc/13/67/32/599136732.db2.gz GJQIVZSQAUEDIK-LHSJRXKWSA-N -1 3 361.449 3.239 20 0 FGADHM C[C@H](NC(=O)[C@]1(C)CCc2ccccc2C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820321444 599136735 /nfs/dbraw/zinc/13/67/35/599136735.db2.gz GJQIVZSQAUEDIK-LHSJRXKWSA-N -1 3 361.449 3.239 20 0 FGADHM C[C@H](NC(=O)[C@@H]1SCCc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000820321505 599139593 /nfs/dbraw/zinc/13/95/93/599139593.db2.gz HJQFWVQCVLBKAG-YVEFUNNKSA-N -1 3 365.462 3.075 20 0 FGADHM C[C@H](NC(=O)[C@@H]1SCCc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000820321505 599139595 /nfs/dbraw/zinc/13/95/95/599139595.db2.gz HJQFWVQCVLBKAG-YVEFUNNKSA-N -1 3 365.462 3.075 20 0 FGADHM Cc1ccc([C@@H](C)C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(C)C)o1 ZINC000822227898 599145624 /nfs/dbraw/zinc/14/56/24/599145624.db2.gz ZOXFWZXFKMNQJK-GFCCVEGCSA-N -1 3 355.398 3.298 20 0 FGADHM Cc1ccc([C@@H](C)C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(C)C)o1 ZINC000822227898 599145626 /nfs/dbraw/zinc/14/56/26/599145626.db2.gz ZOXFWZXFKMNQJK-GFCCVEGCSA-N -1 3 355.398 3.298 20 0 FGADHM Cc1ccc([C@H](C)C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(C)C)o1 ZINC000822227899 599145635 /nfs/dbraw/zinc/14/56/35/599145635.db2.gz ZOXFWZXFKMNQJK-LBPRGKRZSA-N -1 3 355.398 3.298 20 0 FGADHM Cc1ccc([C@H](C)C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(C)C)o1 ZINC000822227899 599145637 /nfs/dbraw/zinc/14/56/37/599145637.db2.gz ZOXFWZXFKMNQJK-LBPRGKRZSA-N -1 3 355.398 3.298 20 0 FGADHM CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820939551 599150894 /nfs/dbraw/zinc/15/08/94/599150894.db2.gz WFBWFYYTDZAEKW-RBOXIYTFSA-N -1 3 361.421 3.318 20 0 FGADHM CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820939551 599150897 /nfs/dbraw/zinc/15/08/97/599150897.db2.gz WFBWFYYTDZAEKW-RBOXIYTFSA-N -1 3 361.421 3.318 20 0 FGADHM CCc1ccccc1NC(=O)CN(C)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000821496173 599153336 /nfs/dbraw/zinc/15/33/36/599153336.db2.gz DSXZRANFWDKYTG-UHFFFAOYSA-N -1 3 370.844 3.157 20 0 FGADHM CCc1ccccc1NC(=O)CN(C)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000821496173 599153339 /nfs/dbraw/zinc/15/33/39/599153339.db2.gz DSXZRANFWDKYTG-UHFFFAOYSA-N -1 3 370.844 3.157 20 0 FGADHM O=C(/C=C/C1CC1)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000822924138 599154299 /nfs/dbraw/zinc/15/42/99/599154299.db2.gz YICRVXOMKPHVNF-RMKNXTFCSA-N -1 3 351.435 3.178 20 0 FGADHM C[C@H](CC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1)c1cccc(F)c1 ZINC000735977509 599159253 /nfs/dbraw/zinc/15/92/53/599159253.db2.gz SFUDOXCPKIINDP-CHWSQXEVSA-N -1 3 353.401 3.377 20 0 FGADHM C[C@H](CC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1)c1cccc(F)c1 ZINC000735977509 599159256 /nfs/dbraw/zinc/15/92/56/599159256.db2.gz SFUDOXCPKIINDP-CHWSQXEVSA-N -1 3 353.401 3.377 20 0 FGADHM CC1(CSc2nc3c(c(-c4ccco4)c2-c2nnn[n-]2)CCC3)COC1 ZINC000736217479 599159349 /nfs/dbraw/zinc/15/93/49/599159349.db2.gz WNTFWUSOLKHRNZ-UHFFFAOYSA-N -1 3 369.450 3.139 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000737290585 599161608 /nfs/dbraw/zinc/16/16/08/599161608.db2.gz DIIFNPSQPKHKKL-VXGBXAGGSA-N -1 3 355.348 3.196 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000737290585 599161609 /nfs/dbraw/zinc/16/16/09/599161609.db2.gz DIIFNPSQPKHKKL-VXGBXAGGSA-N -1 3 355.348 3.196 20 0 FGADHM Clc1cccnc1SCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000737582438 599162126 /nfs/dbraw/zinc/16/21/26/599162126.db2.gz AKTRVWYSDIJGMD-UHFFFAOYSA-N -1 3 371.813 3.257 20 0 FGADHM Clc1cccnc1SCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000737582438 599162129 /nfs/dbraw/zinc/16/21/29/599162129.db2.gz AKTRVWYSDIJGMD-UHFFFAOYSA-N -1 3 371.813 3.257 20 0 FGADHM CCC(C)(C)NC(=O)[C@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(C)C ZINC000736314744 599166783 /nfs/dbraw/zinc/16/67/83/599166783.db2.gz NYOOVKPVTQUENY-CQSZACIVSA-N -1 3 365.478 3.427 20 0 FGADHM CCC(C)(C)NC(=O)[C@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(C)C ZINC000736314744 599166785 /nfs/dbraw/zinc/16/67/85/599166785.db2.gz NYOOVKPVTQUENY-CQSZACIVSA-N -1 3 365.478 3.427 20 0 FGADHM CC(=O)c1ccccc1OCCSc1ccc(-c2nnn[n-]2)cc1F ZINC000735505972 599170524 /nfs/dbraw/zinc/17/05/24/599170524.db2.gz XZTHICVJYHKNBD-UHFFFAOYSA-N -1 3 358.398 3.380 20 0 FGADHM CC(=O)c1ccccc1OCCSc1ccc(-c2nn[n-]n2)cc1F ZINC000735505972 599170525 /nfs/dbraw/zinc/17/05/25/599170525.db2.gz XZTHICVJYHKNBD-UHFFFAOYSA-N -1 3 358.398 3.380 20 0 FGADHM CC(C)Oc1ccc([C@@H](O)CNc2ccc(Cl)cc2-c2nnn[n-]2)cc1 ZINC000735914809 599170766 /nfs/dbraw/zinc/17/07/66/599170766.db2.gz JXVKRGBRCQPJAV-KRWDZBQOSA-N -1 3 373.844 3.453 20 0 FGADHM CC(C)Oc1ccc([C@@H](O)CNc2ccc(Cl)cc2-c2nn[n-]n2)cc1 ZINC000735914809 599170767 /nfs/dbraw/zinc/17/07/67/599170767.db2.gz JXVKRGBRCQPJAV-KRWDZBQOSA-N -1 3 373.844 3.453 20 0 FGADHM O=C(Cc1cccc2ccccc21)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000823111134 599172855 /nfs/dbraw/zinc/17/28/55/599172855.db2.gz AYTCRRVAKLSFEX-UHFFFAOYSA-N -1 3 361.380 3.018 20 0 FGADHM O=C(Cc1cccc2ccccc21)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000823111134 599172857 /nfs/dbraw/zinc/17/28/57/599172857.db2.gz AYTCRRVAKLSFEX-UHFFFAOYSA-N -1 3 361.380 3.018 20 0 FGADHM Cc1csc([C@H](NC(=S)Nc2ccccc2-c2nnn[n-]2)C2CC2)n1 ZINC000737454993 599174163 /nfs/dbraw/zinc/17/41/63/599174163.db2.gz LFWDBDVEGDAYTK-CYBMUJFWSA-N -1 3 371.495 3.069 20 0 FGADHM Cc1csc([C@H](NC(=S)Nc2ccccc2-c2nn[n-]n2)C2CC2)n1 ZINC000737454993 599174164 /nfs/dbraw/zinc/17/41/64/599174164.db2.gz LFWDBDVEGDAYTK-CYBMUJFWSA-N -1 3 371.495 3.069 20 0 FGADHM CC(C)(C)c1cc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)no1 ZINC000735648342 599177639 /nfs/dbraw/zinc/17/76/39/599177639.db2.gz QNHHTVYJDKNKMH-UHFFFAOYSA-N -1 3 372.454 3.345 20 0 FGADHM CC(C)(C)c1cc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)no1 ZINC000735648342 599177641 /nfs/dbraw/zinc/17/76/41/599177641.db2.gz QNHHTVYJDKNKMH-UHFFFAOYSA-N -1 3 372.454 3.345 20 0 FGADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)c1cc2c(cccc2F)s1 ZINC000823237797 599179691 /nfs/dbraw/zinc/17/96/91/599179691.db2.gz BOYKWGXDAIRANC-UHFFFAOYSA-N -1 3 371.372 3.290 20 0 FGADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)c1cc2c(cccc2F)s1 ZINC000823237797 599179692 /nfs/dbraw/zinc/17/96/92/599179692.db2.gz BOYKWGXDAIRANC-UHFFFAOYSA-N -1 3 371.372 3.290 20 0 FGADHM O=C(Cc1csc2ccccc12)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000823118976 599179896 /nfs/dbraw/zinc/17/98/96/599179896.db2.gz XZPSKXFEPPVRKX-UHFFFAOYSA-N -1 3 367.409 3.079 20 0 FGADHM O=C(Cc1csc2ccccc12)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000823118976 599179898 /nfs/dbraw/zinc/17/98/98/599179898.db2.gz XZPSKXFEPPVRKX-UHFFFAOYSA-N -1 3 367.409 3.079 20 0 FGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(C(C)(C)C)on1 ZINC000735906778 599184495 /nfs/dbraw/zinc/18/44/95/599184495.db2.gz WPEKSDOPHCSDJC-UHFFFAOYSA-N -1 3 370.413 3.192 20 0 FGADHM C[C@@H](NC(=O)N1CCC[C@H]1c1ccco1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736111340 599182910 /nfs/dbraw/zinc/18/29/10/599182910.db2.gz DDRRMOJHDHXEEY-DOMZBBRYSA-N -1 3 352.398 3.067 20 0 FGADHM C[C@@H](NC(=O)N1CCC[C@H]1c1ccco1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736111340 599182912 /nfs/dbraw/zinc/18/29/12/599182912.db2.gz DDRRMOJHDHXEEY-DOMZBBRYSA-N -1 3 352.398 3.067 20 0 FGADHM Cc1cc(NC(=O)CNc2ccc(-c3nn[n-]n3)cc2)c2cccnc2c1C ZINC000822208116 599197615 /nfs/dbraw/zinc/19/76/15/599197615.db2.gz BKZBQXYNYZIKQW-UHFFFAOYSA-N -1 3 373.420 3.082 20 0 FGADHM CC1(C)CCN(C(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)C1 ZINC000820595424 599206138 /nfs/dbraw/zinc/20/61/38/599206138.db2.gz IYQWIVKEEABIKQ-UHFFFAOYSA-N -1 3 362.437 3.482 20 0 FGADHM CC[C@@H](Cc1ccccc1)N(C)C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000736351131 599209735 /nfs/dbraw/zinc/20/97/35/599209735.db2.gz OCZQNIBPKJIAIH-IBGZPJMESA-N -1 3 363.465 3.279 20 0 FGADHM CC[C@@H](Cc1ccccc1)N(C)C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000736351131 599209736 /nfs/dbraw/zinc/20/97/36/599209736.db2.gz OCZQNIBPKJIAIH-IBGZPJMESA-N -1 3 363.465 3.279 20 0 FGADHM CCC[C@]1(C)CCCN(C(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)C1 ZINC000821028670 599219944 /nfs/dbraw/zinc/21/99/44/599219944.db2.gz XZPPESKIHZNPLJ-AUUYWEPGSA-N -1 3 357.458 3.063 20 0 FGADHM CCC[C@]1(C)CCCN(C(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)C1 ZINC000821028670 599219947 /nfs/dbraw/zinc/21/99/47/599219947.db2.gz XZPPESKIHZNPLJ-AUUYWEPGSA-N -1 3 357.458 3.063 20 0 FGADHM O=C(Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1)c1cc[nH]c1 ZINC000823356303 599222311 /nfs/dbraw/zinc/22/23/11/599222311.db2.gz KLKWNQQGHOLUDZ-UHFFFAOYSA-N -1 3 364.340 3.379 20 0 FGADHM O=C(Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1)c1cc[nH]c1 ZINC000823356303 599222313 /nfs/dbraw/zinc/22/23/13/599222313.db2.gz KLKWNQQGHOLUDZ-UHFFFAOYSA-N -1 3 364.340 3.379 20 0 FGADHM CCSCC[C@H](C)NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000821460849 599230892 /nfs/dbraw/zinc/23/08/92/599230892.db2.gz FCLVLAXZCQGHMV-VIFPVBQESA-N -1 3 370.935 3.338 20 0 FGADHM CCSCC[C@H](C)NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000821460849 599230894 /nfs/dbraw/zinc/23/08/94/599230894.db2.gz FCLVLAXZCQGHMV-VIFPVBQESA-N -1 3 370.935 3.338 20 0 FGADHM Cc1cc(Cl)ccc1OC(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000822201983 607262265 /nfs/dbraw/zinc/26/22/65/607262265.db2.gz FLUUAVWESMLVSE-UHFFFAOYSA-N -1 3 350.165 3.096 20 0 FGADHM Cc1cc(Cl)ccc1OC(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000822201983 607262266 /nfs/dbraw/zinc/26/22/66/607262266.db2.gz FLUUAVWESMLVSE-UHFFFAOYSA-N -1 3 350.165 3.096 20 0 FGADHM CCN(C(=O)c1ncc(-c2nnn[n-]2)cc1Cl)c1cc(C)ccc1C ZINC000821160824 607262636 /nfs/dbraw/zinc/26/26/36/607262636.db2.gz QXOIPZMIMSTAIH-UHFFFAOYSA-N -1 3 356.817 3.199 20 0 FGADHM CCN(C(=O)c1ncc(-c2nn[n-]n2)cc1Cl)c1cc(C)ccc1C ZINC000821160824 607262637 /nfs/dbraw/zinc/26/26/37/607262637.db2.gz QXOIPZMIMSTAIH-UHFFFAOYSA-N -1 3 356.817 3.199 20 0 FGADHM Cc1nc(-c2c[nH]c(C(=O)Nc3cccc(-c4nnn[n-]4)c3C)c2)cs1 ZINC000822419259 607268554 /nfs/dbraw/zinc/26/85/54/607268554.db2.gz OMPLVVYVDRKDOC-UHFFFAOYSA-N -1 3 365.422 3.187 20 0 FGADHM Cc1nc(-c2c[nH]c(C(=O)Nc3cccc(-c4nn[n-]n4)c3C)c2)cs1 ZINC000822419259 607268555 /nfs/dbraw/zinc/26/85/55/607268555.db2.gz OMPLVVYVDRKDOC-UHFFFAOYSA-N -1 3 365.422 3.187 20 0 FGADHM Cc1c(NC(=O)c2ccc(COC(C)C)cc2)cccc1-c1nnn[n-]1 ZINC000822108875 607267333 /nfs/dbraw/zinc/26/73/33/607267333.db2.gz LQOYYANUFBDKAF-UHFFFAOYSA-N -1 3 351.410 3.352 20 0 FGADHM Cc1c(NC(=O)c2ccc(COC(C)C)cc2)cccc1-c1nn[n-]n1 ZINC000822108875 607267334 /nfs/dbraw/zinc/26/73/34/607267334.db2.gz LQOYYANUFBDKAF-UHFFFAOYSA-N -1 3 351.410 3.352 20 0 FGADHM CC(C)c1ccccc1NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000820196731 599241745 /nfs/dbraw/zinc/24/17/45/599241745.db2.gz BCOZGDFPVDELKV-UHFFFAOYSA-N -1 3 354.389 3.451 20 0 FGADHM CC(C)c1ccccc1NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000820196731 599241747 /nfs/dbraw/zinc/24/17/47/599241747.db2.gz BCOZGDFPVDELKV-UHFFFAOYSA-N -1 3 354.389 3.451 20 0 FGADHM C[C@@H](CNC(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1F ZINC000820270066 599241878 /nfs/dbraw/zinc/24/18/78/599241878.db2.gz ULSXLAPZJIIAON-JTQLQIEISA-N -1 3 358.352 3.070 20 0 FGADHM C[C@@H](CNC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1F ZINC000820270066 599241881 /nfs/dbraw/zinc/24/18/81/599241881.db2.gz ULSXLAPZJIIAON-JTQLQIEISA-N -1 3 358.352 3.070 20 0 FGADHM Cc1ccc([C@H](CNC(=O)Nc2cccc(CC(=O)[O-])c2)N(C)C)cc1 ZINC000738262462 597192793 /nfs/dbraw/zinc/19/27/93/597192793.db2.gz ZAWUYZAVNDTBRJ-SFHVURJKSA-N -1 3 355.438 3.047 20 0 FGADHM CN(C)CCN(Cc1cccc(F)c1)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000737950366 597194392 /nfs/dbraw/zinc/19/43/92/597194392.db2.gz SHTPMKALVSVTQO-UHFFFAOYSA-N -1 3 373.428 3.049 20 0 FGADHM CC(C)[C@@H]1CN(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CCS1 ZINC000820047323 599248651 /nfs/dbraw/zinc/24/86/51/599248651.db2.gz XGDVTTVNMJDUSY-ZDUSSCGKSA-N -1 3 366.878 3.125 20 0 FGADHM CC(C)[C@@H]1CN(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CCS1 ZINC000820047323 599248653 /nfs/dbraw/zinc/24/86/53/599248653.db2.gz XGDVTTVNMJDUSY-ZDUSSCGKSA-N -1 3 366.878 3.125 20 0 FGADHM C[C@H](CCc1cccn1C)NC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820254600 599248778 /nfs/dbraw/zinc/24/87/78/599248778.db2.gz ROKAGZMSZCGKCQ-LLVKDONJSA-N -1 3 373.848 3.001 20 0 FGADHM C[C@H](CCc1cccn1C)NC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820254600 599248779 /nfs/dbraw/zinc/24/87/79/599248779.db2.gz ROKAGZMSZCGKCQ-LLVKDONJSA-N -1 3 373.848 3.001 20 0 FGADHM Cc1c(NC(=O)Nc2ccc(OCC(F)F)cc2)cccc1-c1nnn[n-]1 ZINC000822103455 607282716 /nfs/dbraw/zinc/28/27/16/607282716.db2.gz GRDBXPKZAAIMOX-UHFFFAOYSA-N -1 3 374.351 3.463 20 0 FGADHM Cc1c(NC(=O)Nc2ccc(OCC(F)F)cc2)cccc1-c1nn[n-]n1 ZINC000822103455 607282717 /nfs/dbraw/zinc/28/27/17/607282717.db2.gz GRDBXPKZAAIMOX-UHFFFAOYSA-N -1 3 374.351 3.463 20 0 FGADHM Cc1c(NC(=O)NC2CCC(C(F)(F)F)CC2)cccc1-c1nnn[n-]1 ZINC000822089615 607288973 /nfs/dbraw/zinc/28/89/73/607288973.db2.gz FQKAFEOAMPDOBV-UHFFFAOYSA-N -1 3 368.363 3.418 20 0 FGADHM Cc1c(NC(=O)NC2CCC(C(F)(F)F)CC2)cccc1-c1nn[n-]n1 ZINC000822089615 607288974 /nfs/dbraw/zinc/28/89/74/607288974.db2.gz FQKAFEOAMPDOBV-UHFFFAOYSA-N -1 3 368.363 3.418 20 0 FGADHM O=C([O-])Cc1ccccc1NC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000819610798 597328638 /nfs/dbraw/zinc/32/86/38/597328638.db2.gz UTXKVRWBCJWASA-IBGZPJMESA-N -1 3 367.449 3.272 20 0 FGADHM Cc1c(NC(=O)[C@H]2SCCc3sccc32)cccc1-c1nnn[n-]1 ZINC000822067999 607294174 /nfs/dbraw/zinc/29/41/74/607294174.db2.gz MXIAEQGHFFIDIL-AWEZNQCLSA-N -1 3 357.464 3.206 20 0 FGADHM Cc1c(NC(=O)[C@H]2SCCc3sccc32)cccc1-c1nn[n-]n1 ZINC000822067999 607294175 /nfs/dbraw/zinc/29/41/75/607294175.db2.gz MXIAEQGHFFIDIL-AWEZNQCLSA-N -1 3 357.464 3.206 20 0 FGADHM Cc1sc(-c2ccco2)nc1C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000822554395 607294201 /nfs/dbraw/zinc/29/42/01/607294201.db2.gz ZZFVDYCJTDTVCK-UHFFFAOYSA-N -1 3 366.406 3.452 20 0 FGADHM Cc1sc(-c2ccco2)nc1C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000822554395 607294202 /nfs/dbraw/zinc/29/42/02/607294202.db2.gz ZZFVDYCJTDTVCK-UHFFFAOYSA-N -1 3 366.406 3.452 20 0 FGADHM Cc1c(NC(=O)[C@H](C)Oc2ccc3c(c2)CCC3)cccc1-c1nnn[n-]1 ZINC000822061610 607294876 /nfs/dbraw/zinc/29/48/76/607294876.db2.gz RTJIEEJCXHJFDF-ZDUSSCGKSA-N -1 3 363.421 3.070 20 0 FGADHM Cc1c(NC(=O)[C@H](C)Oc2ccc3c(c2)CCC3)cccc1-c1nn[n-]n1 ZINC000822061610 607294877 /nfs/dbraw/zinc/29/48/77/607294877.db2.gz RTJIEEJCXHJFDF-ZDUSSCGKSA-N -1 3 363.421 3.070 20 0 FGADHM CCC(CC)n1nccc1C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000820901572 607311257 /nfs/dbraw/zinc/31/12/57/607311257.db2.gz CGLIAGRMESEOHN-UHFFFAOYSA-N -1 3 370.461 3.233 20 0 FGADHM CCC(CC)n1nccc1C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000820901572 607311258 /nfs/dbraw/zinc/31/12/58/607311258.db2.gz CGLIAGRMESEOHN-UHFFFAOYSA-N -1 3 370.461 3.233 20 0 FGADHM Clc1cc(NCc2ccc(-c3nnn[n-]3)cc2)ccc1-n1ccnc1 ZINC000822568423 607315224 /nfs/dbraw/zinc/31/52/24/607315224.db2.gz QMINCXHCJODYRD-UHFFFAOYSA-N -1 3 351.801 3.318 20 0 FGADHM Clc1cc(NCc2ccc(-c3nn[n-]n3)cc2)ccc1-n1ccnc1 ZINC000822568423 607315225 /nfs/dbraw/zinc/31/52/25/607315225.db2.gz QMINCXHCJODYRD-UHFFFAOYSA-N -1 3 351.801 3.318 20 0 FGADHM COc1ccc(CNc2cccc(N(C)C(C)C)c2)cc1-c1nnn[n-]1 ZINC000821821583 607317294 /nfs/dbraw/zinc/31/72/94/607317294.db2.gz MCNKJMUGJXXVIC-UHFFFAOYSA-N -1 3 352.442 3.332 20 0 FGADHM COc1ccc(CNc2cccc(N(C)C(C)C)c2)cc1-c1nn[n-]n1 ZINC000821821583 607317295 /nfs/dbraw/zinc/31/72/95/607317295.db2.gz MCNKJMUGJXXVIC-UHFFFAOYSA-N -1 3 352.442 3.332 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1N1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000737641887 599267863 /nfs/dbraw/zinc/26/78/63/599267863.db2.gz ZFZYFZNPEHFWSS-CQSZACIVSA-N -1 3 353.357 3.076 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NC[C@@H](C)Oc1ccccc1C ZINC000822220313 599273822 /nfs/dbraw/zinc/27/38/22/599273822.db2.gz LRANWASOXDRZIL-CQSZACIVSA-N -1 3 366.425 3.073 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NC[C@@H](C)Oc1ccccc1C ZINC000822220313 599273824 /nfs/dbraw/zinc/27/38/24/599273824.db2.gz LRANWASOXDRZIL-CQSZACIVSA-N -1 3 366.425 3.073 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cccc(COC)c1 ZINC000736487996 599275490 /nfs/dbraw/zinc/27/54/90/599275490.db2.gz NFRMSPNSLXLBFP-UHFFFAOYSA-N -1 3 366.425 3.087 20 0 FGADHM CCc1noc(-c2ccc(C)c(NCc3cc(-c4nnn[n-]4)cs3)c2)n1 ZINC000821554844 607318467 /nfs/dbraw/zinc/31/84/67/607318467.db2.gz TYYHWNCARJHAND-UHFFFAOYSA-N -1 3 367.438 3.461 20 0 FGADHM CCc1noc(-c2ccc(C)c(NCc3cc(-c4nn[n-]n4)cs3)c2)n1 ZINC000821554844 607318468 /nfs/dbraw/zinc/31/84/68/607318468.db2.gz TYYHWNCARJHAND-UHFFFAOYSA-N -1 3 367.438 3.461 20 0 FGADHM CCOc1cc(NC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)ccc1C ZINC000821401057 599277099 /nfs/dbraw/zinc/27/70/99/599277099.db2.gz SYLCLNPCRZSBEL-UHFFFAOYSA-N -1 3 370.388 3.035 20 0 FGADHM CCOc1cc(NC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)ccc1C ZINC000821401057 599277100 /nfs/dbraw/zinc/27/71/00/599277100.db2.gz SYLCLNPCRZSBEL-UHFFFAOYSA-N -1 3 370.388 3.035 20 0 FGADHM Cc1csc([C@@H]2CCCN(C(=O)Nc3ccc(-c4nnn[n-]4)cc3)C2)n1 ZINC000737455450 599285414 /nfs/dbraw/zinc/28/54/14/599285414.db2.gz RQKIULPUOIMCIT-CYBMUJFWSA-N -1 3 369.454 3.043 20 0 FGADHM Cc1csc([C@@H]2CCCN(C(=O)Nc3ccc(-c4nn[n-]n4)cc3)C2)n1 ZINC000737455450 599285415 /nfs/dbraw/zinc/28/54/15/599285415.db2.gz RQKIULPUOIMCIT-CYBMUJFWSA-N -1 3 369.454 3.043 20 0 FGADHM C[C@@H]1C[C@H](C)CN(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C1 ZINC000820649949 599288470 /nfs/dbraw/zinc/28/84/70/599288470.db2.gz PMFFXMRSONFTMU-AOOOYVTPSA-N -1 3 368.363 3.395 20 0 FGADHM C[C@@H]1C[C@H](C)CN(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C1 ZINC000820649949 599288472 /nfs/dbraw/zinc/28/84/72/599288472.db2.gz PMFFXMRSONFTMU-AOOOYVTPSA-N -1 3 368.363 3.395 20 0 FGADHM CCCCOCC(=O)Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736459553 599290107 /nfs/dbraw/zinc/29/01/07/599290107.db2.gz FDNGPNPRKHTYHA-UHFFFAOYSA-N -1 3 352.394 3.256 20 0 FGADHM CCCCOCC(=O)Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736459553 599290109 /nfs/dbraw/zinc/29/01/09/599290109.db2.gz FDNGPNPRKHTYHA-UHFFFAOYSA-N -1 3 352.394 3.256 20 0 FGADHM CSC(C)(C)CNC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000821943616 599291735 /nfs/dbraw/zinc/29/17/35/599291735.db2.gz XMMGJLSANKJEGX-UHFFFAOYSA-N -1 3 374.392 3.149 20 0 FGADHM CSC(C)(C)CNC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821943616 599291737 /nfs/dbraw/zinc/29/17/37/599291737.db2.gz XMMGJLSANKJEGX-UHFFFAOYSA-N -1 3 374.392 3.149 20 0 FGADHM CCCOc1cccc(CCNC(=O)Nc2cccc(-c3nnn[n-]3)c2)c1 ZINC000821134454 607325577 /nfs/dbraw/zinc/32/55/77/607325577.db2.gz VRNORLYKWYZBIL-UHFFFAOYSA-N -1 3 366.425 3.020 20 0 FGADHM CCCOc1cccc(CCNC(=O)Nc2cccc(-c3nn[n-]n3)c2)c1 ZINC000821134454 607325578 /nfs/dbraw/zinc/32/55/78/607325578.db2.gz VRNORLYKWYZBIL-UHFFFAOYSA-N -1 3 366.425 3.020 20 0 FGADHM COC[C@@H](Nc1ccc(-c2nnn[n-]2)nc1)c1cccc(C(F)(F)F)c1 ZINC000821684377 607326255 /nfs/dbraw/zinc/32/62/55/607326255.db2.gz ZYIHWNOZOPSGBX-CQSZACIVSA-N -1 3 364.331 3.080 20 0 FGADHM COC[C@@H](Nc1ccc(-c2nn[n-]n2)nc1)c1cccc(C(F)(F)F)c1 ZINC000821684377 607326256 /nfs/dbraw/zinc/32/62/56/607326256.db2.gz ZYIHWNOZOPSGBX-CQSZACIVSA-N -1 3 364.331 3.080 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)Nc1cscc1C ZINC000826176031 607338351 /nfs/dbraw/zinc/33/83/51/607338351.db2.gz YIAKXZFLPHUIQW-UHFFFAOYSA-N -1 3 373.438 3.043 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)Nc1cscc1C ZINC000826176031 607338352 /nfs/dbraw/zinc/33/83/52/607338352.db2.gz YIAKXZFLPHUIQW-UHFFFAOYSA-N -1 3 373.438 3.043 20 0 FGADHM Cc1nccc(C(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)n1 ZINC000737498683 598232281 /nfs/dbraw/zinc/23/22/81/598232281.db2.gz KKHVPOXIRNDOSJ-UHFFFAOYSA-N -1 3 373.376 3.010 20 0 FGADHM CC(C)C[C@@H](C)CC(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000735760611 598237362 /nfs/dbraw/zinc/23/73/62/598237362.db2.gz FFWSZQBAHBRZRE-OAHLLOKOSA-N -1 3 371.485 3.309 20 0 FGADHM CC(C)C[C@@H](C)CC(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000735760611 598237363 /nfs/dbraw/zinc/23/73/63/598237363.db2.gz FFWSZQBAHBRZRE-OAHLLOKOSA-N -1 3 371.485 3.309 20 0 FGADHM Cc1ccc(NC(=O)CNc2cccc(F)c2-c2nnn[n-]2)c(Cl)c1 ZINC000737357774 598242839 /nfs/dbraw/zinc/24/28/39/598242839.db2.gz UUFNYXILKZTHGF-UHFFFAOYSA-N -1 3 360.780 3.018 20 0 FGADHM Cc1ccc(NC(=O)CNc2cccc(F)c2-c2nn[n-]n2)c(Cl)c1 ZINC000737357774 598242841 /nfs/dbraw/zinc/24/28/41/598242841.db2.gz UUFNYXILKZTHGF-UHFFFAOYSA-N -1 3 360.780 3.018 20 0 FGADHM COc1ccc(CC2CCN(c3ccc(-c4nn[n-]n4)cc3F)CC2)cc1 ZINC000737089610 598244099 /nfs/dbraw/zinc/24/40/99/598244099.db2.gz YRPAKHBIPAMTQU-UHFFFAOYSA-N -1 3 367.428 3.474 20 0 FGADHM CC(C)(CNc1ncccc1-c1nnn[n-]1)c1cccc(Br)c1 ZINC000735670551 598247528 /nfs/dbraw/zinc/24/75/28/598247528.db2.gz BFBBKXXKTJNTBQ-UHFFFAOYSA-N -1 3 373.258 3.414 20 0 FGADHM CC(C)(CNc1ncccc1-c1nn[n-]n1)c1cccc(Br)c1 ZINC000735670551 598247529 /nfs/dbraw/zinc/24/75/29/598247529.db2.gz BFBBKXXKTJNTBQ-UHFFFAOYSA-N -1 3 373.258 3.414 20 0 FGADHM Cc1cccc2c1CC[C@@H]2NC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737409503 598256111 /nfs/dbraw/zinc/25/61/11/598256111.db2.gz OUTJAOUOWYYTRF-ACJLOTCBSA-N -1 3 362.437 3.223 20 0 FGADHM Cc1cccc2c1CC[C@@H]2NC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737409503 598256112 /nfs/dbraw/zinc/25/61/12/598256112.db2.gz OUTJAOUOWYYTRF-ACJLOTCBSA-N -1 3 362.437 3.223 20 0 FGADHM CC[C@@H](NC(=O)Nc1cc(-c2nnn[n-]2)ccc1C)c1nc(C)cs1 ZINC000736360272 598265404 /nfs/dbraw/zinc/26/54/04/598265404.db2.gz AZANKXWQZHNEOO-GFCCVEGCSA-N -1 3 357.443 3.213 20 0 FGADHM CC[C@@H](NC(=O)Nc1cc(-c2nn[n-]n2)ccc1C)c1nc(C)cs1 ZINC000736360272 598265405 /nfs/dbraw/zinc/26/54/05/598265405.db2.gz AZANKXWQZHNEOO-GFCCVEGCSA-N -1 3 357.443 3.213 20 0 FGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N1CCc2ccccc2C1 ZINC000735659486 598274566 /nfs/dbraw/zinc/27/45/66/598274566.db2.gz AMTQBLMCSWQGES-UHFFFAOYSA-N -1 3 365.441 3.013 20 0 FGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N1CCc2ccccc2C1 ZINC000735659486 598274567 /nfs/dbraw/zinc/27/45/67/598274567.db2.gz AMTQBLMCSWQGES-UHFFFAOYSA-N -1 3 365.441 3.013 20 0 FGADHM CN(Cc1cccc(-c2nnn[n-]2)c1)c1nc(C(F)F)nc2ccccc21 ZINC000736821243 598274902 /nfs/dbraw/zinc/27/49/02/598274902.db2.gz ARCSCTKEAWLBJI-UHFFFAOYSA-N -1 3 367.363 3.384 20 0 FGADHM CN(Cc1cccc(-c2nn[n-]n2)c1)c1nc(C(F)F)nc2ccccc21 ZINC000736821243 598274903 /nfs/dbraw/zinc/27/49/03/598274903.db2.gz ARCSCTKEAWLBJI-UHFFFAOYSA-N -1 3 367.363 3.384 20 0 FGADHM CC(C)OCc1ccc(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000735905270 598281049 /nfs/dbraw/zinc/28/10/49/598281049.db2.gz ZLUMYFYGKXREPX-UHFFFAOYSA-N -1 3 369.400 3.207 20 0 FGADHM CC(C)OCc1ccc(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000735905270 598281051 /nfs/dbraw/zinc/28/10/51/598281051.db2.gz ZLUMYFYGKXREPX-UHFFFAOYSA-N -1 3 369.400 3.207 20 0 FGADHM Cc1cccc2c1CCN2C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000737408573 598281165 /nfs/dbraw/zinc/28/11/65/598281165.db2.gz JMAJCSJEJQQYPV-UHFFFAOYSA-N -1 3 365.441 3.326 20 0 FGADHM Cc1cccc2c1CCN2C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000737408573 598281166 /nfs/dbraw/zinc/28/11/66/598281166.db2.gz JMAJCSJEJQQYPV-UHFFFAOYSA-N -1 3 365.441 3.326 20 0 FGADHM CC(C)N(Cc1cccc(F)c1)C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000735873230 598293913 /nfs/dbraw/zinc/29/39/13/598293913.db2.gz CWYVQQZWFHOKQY-UHFFFAOYSA-N -1 3 368.416 3.126 20 0 FGADHM CC(C)N(Cc1cccc(F)c1)C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000735873230 598293915 /nfs/dbraw/zinc/29/39/15/598293915.db2.gz CWYVQQZWFHOKQY-UHFFFAOYSA-N -1 3 368.416 3.126 20 0 FGADHM Cc1ccc(-c2ccncc2)cc1NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737288374 598297408 /nfs/dbraw/zinc/29/74/08/598297408.db2.gz NXLWTTKJJWMCTG-UHFFFAOYSA-N -1 3 356.389 3.489 20 0 FGADHM Cc1ccc(-c2ccncc2)cc1NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737288374 598297409 /nfs/dbraw/zinc/29/74/09/598297409.db2.gz NXLWTTKJJWMCTG-UHFFFAOYSA-N -1 3 356.389 3.489 20 0 FGADHM Cc1ccc2c(CC(=O)OCc3ccc(-c4nnn[n-]4)cc3F)c[nH]c2c1 ZINC000737371658 598302648 /nfs/dbraw/zinc/30/26/48/598302648.db2.gz HLNMQAOTQYAOEX-UHFFFAOYSA-N -1 3 365.368 3.081 20 0 FGADHM Cc1ccc2c(CC(=O)OCc3ccc(-c4nn[n-]n4)cc3F)c[nH]c2c1 ZINC000737371658 598302650 /nfs/dbraw/zinc/30/26/50/598302650.db2.gz HLNMQAOTQYAOEX-UHFFFAOYSA-N -1 3 365.368 3.081 20 0 FGADHM CCCc1cc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)sc1C ZINC000736498219 598304568 /nfs/dbraw/zinc/30/45/68/598304568.db2.gz WLLZRCIKUDKMIG-UHFFFAOYSA-N -1 3 359.430 3.258 20 0 FGADHM CCCc1cc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)sc1C ZINC000736498219 598304570 /nfs/dbraw/zinc/30/45/70/598304570.db2.gz WLLZRCIKUDKMIG-UHFFFAOYSA-N -1 3 359.430 3.258 20 0 FGADHM Cc1ccc(SCC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)c(C)c1 ZINC000737369033 598305061 /nfs/dbraw/zinc/30/50/61/598305061.db2.gz QBAKEWZHDRNUDL-UHFFFAOYSA-N -1 3 371.441 3.031 20 0 FGADHM Cc1ccc(SCC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)c(C)c1 ZINC000737369033 598305063 /nfs/dbraw/zinc/30/50/63/598305063.db2.gz QBAKEWZHDRNUDL-UHFFFAOYSA-N -1 3 371.441 3.031 20 0 FGADHM Cc1ccc(SCCC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000737369936 598306244 /nfs/dbraw/zinc/30/62/44/598306244.db2.gz ZETSYMNLRCDSLR-UHFFFAOYSA-N -1 3 371.441 3.113 20 0 FGADHM Cc1ccc(SCCC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000737369936 598306246 /nfs/dbraw/zinc/30/62/46/598306246.db2.gz ZETSYMNLRCDSLR-UHFFFAOYSA-N -1 3 371.441 3.113 20 0 FGADHM CCCCCCC(=O)OCCOc1c(-c2nnn[n-]2)cnc2ccccc21 ZINC000736444572 598308459 /nfs/dbraw/zinc/30/84/59/598308459.db2.gz HJMYEEAQEQCHKB-UHFFFAOYSA-N -1 3 369.425 3.307 20 0 FGADHM CCCCCCC(=O)OCCOc1c(-c2nn[n-]n2)cnc2ccccc21 ZINC000736444572 598308461 /nfs/dbraw/zinc/30/84/61/598308461.db2.gz HJMYEEAQEQCHKB-UHFFFAOYSA-N -1 3 369.425 3.307 20 0 FGADHM CN(C(=O)Cc1c(F)cccc1Cl)c1ccc(-c2nnn[n-]2)cc1F ZINC000736739397 598311425 /nfs/dbraw/zinc/31/14/25/598311425.db2.gz OBFCSIUODRCKCT-UHFFFAOYSA-N -1 3 363.755 3.004 20 0 FGADHM CN(C(=O)Cc1c(F)cccc1Cl)c1ccc(-c2nn[n-]n2)cc1F ZINC000736739397 598311427 /nfs/dbraw/zinc/31/14/27/598311427.db2.gz OBFCSIUODRCKCT-UHFFFAOYSA-N -1 3 363.755 3.004 20 0 FGADHM c1ccc(Cc2noc(CSCc3cccc(-c4nnn[n-]4)c3)n2)cc1 ZINC000738433645 598314777 /nfs/dbraw/zinc/31/47/77/598314777.db2.gz VNJXLHLZMVUTBK-UHFFFAOYSA-N -1 3 364.434 3.274 20 0 FGADHM c1ccc(Cc2noc(CSCc3cccc(-c4nn[n-]n4)c3)n2)cc1 ZINC000738433645 598314779 /nfs/dbraw/zinc/31/47/79/598314779.db2.gz VNJXLHLZMVUTBK-UHFFFAOYSA-N -1 3 364.434 3.274 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1CNCc1ccccc1OCC1CC1 ZINC000737640592 598315653 /nfs/dbraw/zinc/31/56/53/598315653.db2.gz ZENMTRZBPKFCQT-UHFFFAOYSA-N -1 3 353.401 3.084 20 0 FGADHM CCCC[C@H]1CCC[C@@H]1NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000736440876 598320526 /nfs/dbraw/zinc/32/05/26/598320526.db2.gz HMNHUVZIGWIUMJ-LRDDRELGSA-N -1 3 360.437 3.164 20 0 FGADHM CCCC[C@H]1CCC[C@@H]1NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000736440876 598320527 /nfs/dbraw/zinc/32/05/27/598320527.db2.gz HMNHUVZIGWIUMJ-LRDDRELGSA-N -1 3 360.437 3.164 20 0 FGADHM O=C(OCCc1ccccc1C(F)(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000738221389 598332246 /nfs/dbraw/zinc/33/22/46/598332246.db2.gz HZYZNJYIVJVFOX-UHFFFAOYSA-N -1 3 362.311 3.285 20 0 FGADHM O=C(OCCc1ccccc1C(F)(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000738221389 598332248 /nfs/dbraw/zinc/33/22/48/598332248.db2.gz HZYZNJYIVJVFOX-UHFFFAOYSA-N -1 3 362.311 3.285 20 0 FGADHM COc1ccc(Cl)cc1N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737100147 598354019 /nfs/dbraw/zinc/35/40/19/598354019.db2.gz TWANCMRFRJMYBD-OAHLLOKOSA-N -1 3 370.844 3.220 20 0 FGADHM CC1(C)CCN(C(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000736212166 598378128 /nfs/dbraw/zinc/37/81/28/598378128.db2.gz ZXSGZAMJAZTZTB-UHFFFAOYSA-N -1 3 350.879 3.339 20 0 FGADHM CC1(C)CCN(C(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000736212166 598378129 /nfs/dbraw/zinc/37/81/29/598378129.db2.gz ZXSGZAMJAZTZTB-UHFFFAOYSA-N -1 3 350.879 3.339 20 0 FGADHM Cc1cccc2[nH]cc(C=C3N=C(c4ccc(-c5nnn[n-]5)cc4)OC3=O)c21 ZINC000737409831 598378975 /nfs/dbraw/zinc/37/89/75/598378975.db2.gz STYIGGWESBWKKV-CXUHLZMHSA-N -1 3 370.372 3.001 20 0 FGADHM Cc1cccc2[nH]cc(C=C3N=C(c4ccc(-c5nn[n-]n5)cc4)OC3=O)c21 ZINC000737409831 598378977 /nfs/dbraw/zinc/37/89/77/598378977.db2.gz STYIGGWESBWKKV-CXUHLZMHSA-N -1 3 370.372 3.001 20 0 FGADHM CC(C)[C@@H](C)N(CC(F)(F)F)C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000735703992 598379090 /nfs/dbraw/zinc/37/90/90/598379090.db2.gz YOYHXQSDYDWRDW-IDVQTMNDSA-N -1 3 367.375 3.315 20 0 FGADHM CC(C)[C@@H](C)N(CC(F)(F)F)C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000735703992 598379091 /nfs/dbraw/zinc/37/90/91/598379091.db2.gz YOYHXQSDYDWRDW-IDVQTMNDSA-N -1 3 367.375 3.315 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1OCc1nnc(-c2cccc(Cl)c2)o1 ZINC000737220748 598382924 /nfs/dbraw/zinc/38/29/24/598382924.db2.gz DYLLEBGQKYXJQY-UHFFFAOYSA-N -1 3 368.784 3.458 20 0 FGADHM Clc1cccc(-c2nnc(CSc3ccc(-c4nnn[n-]4)cn3)o2)c1 ZINC000737573978 598383770 /nfs/dbraw/zinc/38/37/70/598383770.db2.gz IXOBUBYAWLENBK-UHFFFAOYSA-N -1 3 371.813 3.257 20 0 FGADHM Clc1cccc(-c2nnc(CSc3ccc(-c4nn[n-]n4)cn3)o2)c1 ZINC000737573978 598383772 /nfs/dbraw/zinc/38/37/72/598383772.db2.gz IXOBUBYAWLENBK-UHFFFAOYSA-N -1 3 371.813 3.257 20 0 FGADHM COc1cccc([C@H]2C[C@@H]2C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000737131780 598394473 /nfs/dbraw/zinc/39/44/73/598394473.db2.gz YYYLZSGKPKXRFD-CABCVRRESA-N -1 3 369.812 3.271 20 0 FGADHM COc1cccc([C@H]2C[C@@H]2C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000737131780 598394475 /nfs/dbraw/zinc/39/44/75/598394475.db2.gz YYYLZSGKPKXRFD-CABCVRRESA-N -1 3 369.812 3.271 20 0 FGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC(C)(C)CC1 ZINC000735906125 598412465 /nfs/dbraw/zinc/41/24/65/598412465.db2.gz PCNHFNBNGPQXQK-UHFFFAOYSA-N -1 3 358.446 3.308 20 0 FGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC(C)(C)CC1 ZINC000735906125 598412467 /nfs/dbraw/zinc/41/24/67/598412467.db2.gz PCNHFNBNGPQXQK-UHFFFAOYSA-N -1 3 358.446 3.308 20 0 FGADHM Cc1ccc2c(c1)[C@@H](NC(=O)Nc1ccc(F)c(-c3nnn[n-]3)c1)CC2 ZINC000737371522 598414394 /nfs/dbraw/zinc/41/43/94/598414394.db2.gz GDCUXCBPMUESOH-INIZCTEOSA-N -1 3 352.373 3.123 20 0 FGADHM Cc1ccc2c(c1)[C@@H](NC(=O)Nc1ccc(F)c(-c3nn[n-]n3)c1)CC2 ZINC000737371522 598414395 /nfs/dbraw/zinc/41/43/95/598414395.db2.gz GDCUXCBPMUESOH-INIZCTEOSA-N -1 3 352.373 3.123 20 0 FGADHM COc1ccccc1C[C@@H](C)CC(=O)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000737151473 598419376 /nfs/dbraw/zinc/41/93/76/598419376.db2.gz DBXHNGUDMCXIGU-CYBMUJFWSA-N -1 3 352.394 3.050 20 0 FGADHM COc1ccccc1C[C@@H](C)CC(=O)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000737151473 598419378 /nfs/dbraw/zinc/41/93/78/598419378.db2.gz DBXHNGUDMCXIGU-CYBMUJFWSA-N -1 3 352.394 3.050 20 0 FGADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@@H](C)c1ccccc1 ZINC000735734259 598420878 /nfs/dbraw/zinc/42/08/78/598420878.db2.gz GDDZDHOECNNNKK-KSSFIOAISA-N -1 3 365.437 3.148 20 0 FGADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@@H](C)c1ccccc1 ZINC000735734259 598420880 /nfs/dbraw/zinc/42/08/80/598420880.db2.gz GDDZDHOECNNNKK-KSSFIOAISA-N -1 3 365.437 3.148 20 0 FGADHM O=C(Nc1ccccc1-c1nnn[n-]1)c1sccc1SC(F)F ZINC000738191865 598421938 /nfs/dbraw/zinc/42/19/38/598421938.db2.gz MKGHRGPJDFESQV-UHFFFAOYSA-N -1 3 353.379 3.495 20 0 FGADHM O=C(Nc1ccccc1-c1nn[n-]n1)c1sccc1SC(F)F ZINC000738191865 598421940 /nfs/dbraw/zinc/42/19/40/598421940.db2.gz MKGHRGPJDFESQV-UHFFFAOYSA-N -1 3 353.379 3.495 20 0 FGADHM Cc1cc(C)c(-c2nnn[n-]2)c(NCCCc2nc3c(s2)CCCC3)n1 ZINC000737240636 598421981 /nfs/dbraw/zinc/42/19/81/598421981.db2.gz LXXDTXRIHLVYKO-UHFFFAOYSA-N -1 3 369.498 3.259 20 0 FGADHM Cc1cc(C)c(-c2nn[n-]n2)c(NCCCc2nc3c(s2)CCCC3)n1 ZINC000737240636 598421983 /nfs/dbraw/zinc/42/19/83/598421983.db2.gz LXXDTXRIHLVYKO-UHFFFAOYSA-N -1 3 369.498 3.259 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N1CCCc2sccc2C1 ZINC000738164419 598432024 /nfs/dbraw/zinc/43/20/24/598432024.db2.gz ZKJLAYFUNZFTPD-UHFFFAOYSA-N -1 3 358.402 3.048 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N1CCCc2sccc2C1 ZINC000738164419 598432026 /nfs/dbraw/zinc/43/20/26/598432026.db2.gz ZKJLAYFUNZFTPD-UHFFFAOYSA-N -1 3 358.402 3.048 20 0 FGADHM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)cn1)c1ccc(C(C)(C)C)cc1 ZINC000736116732 598442620 /nfs/dbraw/zinc/44/26/20/598442620.db2.gz CQGNQJOYUNIILB-GFCCVEGCSA-N -1 3 350.426 3.050 20 0 FGADHM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)cn1)c1ccc(C(C)(C)C)cc1 ZINC000736116732 598442621 /nfs/dbraw/zinc/44/26/21/598442621.db2.gz CQGNQJOYUNIILB-GFCCVEGCSA-N -1 3 350.426 3.050 20 0 FGADHM Cc1ccc2cccc(NC(=O)[C@H](C)Oc3ccccc3-c3nnn[n-]3)c2n1 ZINC000737372994 598445700 /nfs/dbraw/zinc/44/57/00/598445700.db2.gz AMQCAINJEOZBFS-ZDUSSCGKSA-N -1 3 374.404 3.129 20 0 FGADHM Cc1ccc2cccc(NC(=O)[C@H](C)Oc3ccccc3-c3nn[n-]n3)c2n1 ZINC000737372994 598445701 /nfs/dbraw/zinc/44/57/01/598445701.db2.gz AMQCAINJEOZBFS-ZDUSSCGKSA-N -1 3 374.404 3.129 20 0 FGADHM CC(C)(C)Sc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000735643080 598451891 /nfs/dbraw/zinc/45/18/91/598451891.db2.gz LFXQCGIRBCNICU-UHFFFAOYSA-N -1 3 354.439 3.405 20 0 FGADHM CC(C)(C)Sc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000735643080 598451892 /nfs/dbraw/zinc/45/18/92/598451892.db2.gz LFXQCGIRBCNICU-UHFFFAOYSA-N -1 3 354.439 3.405 20 0 FGADHM O=C(c1ccc(-c2nnn[n-]2)cn1)N(Cc1ccsc1)c1ccccc1 ZINC000738260876 598451996 /nfs/dbraw/zinc/45/19/96/598451996.db2.gz HUBUIBYMTGNPDF-UHFFFAOYSA-N -1 3 362.418 3.170 20 0 FGADHM O=C(c1ccc(-c2nn[n-]n2)cn1)N(Cc1ccsc1)c1ccccc1 ZINC000738260876 598451997 /nfs/dbraw/zinc/45/19/97/598451997.db2.gz HUBUIBYMTGNPDF-UHFFFAOYSA-N -1 3 362.418 3.170 20 0 FGADHM CC(C)CC[C@@H](C)NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000735797725 598475763 /nfs/dbraw/zinc/47/57/63/598475763.db2.gz SEDUPMDDXKDYAM-CQSZACIVSA-N -1 3 356.474 3.365 20 0 FGADHM CC(C)CC[C@@H](C)NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000735797725 598475765 /nfs/dbraw/zinc/47/57/65/598475765.db2.gz SEDUPMDDXKDYAM-CQSZACIVSA-N -1 3 356.474 3.365 20 0 FGADHM C[C@@H](Oc1cccc(F)c1)C(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000736182366 598486810 /nfs/dbraw/zinc/48/68/10/598486810.db2.gz NQZANQGUTQWRKB-VXGBXAGGSA-N -1 3 356.357 3.078 20 0 FGADHM C[C@@H](Oc1cccc(F)c1)C(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000736182366 598486812 /nfs/dbraw/zinc/48/68/12/598486812.db2.gz NQZANQGUTQWRKB-VXGBXAGGSA-N -1 3 356.357 3.078 20 0 FGADHM C[C@@H](OC(=O)c1ccc(C(F)(F)F)nc1)c1cccc(-c2nnn[n-]2)c1 ZINC000736159111 598488819 /nfs/dbraw/zinc/48/88/19/598488819.db2.gz USCHBAKANBJFGB-SECBINFHSA-N -1 3 363.299 3.199 20 0 FGADHM C[C@@H](OC(=O)c1ccc(C(F)(F)F)nc1)c1cccc(-c2nn[n-]n2)c1 ZINC000736159111 598488821 /nfs/dbraw/zinc/48/88/21/598488821.db2.gz USCHBAKANBJFGB-SECBINFHSA-N -1 3 363.299 3.199 20 0 FGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)c1ccc2ccccc2n1 ZINC000735661492 598489479 /nfs/dbraw/zinc/48/94/79/598489479.db2.gz LVKYNVFYHLBJNU-UHFFFAOYSA-N -1 3 361.409 3.224 20 0 FGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)c1ccc2ccccc2n1 ZINC000735661492 598489481 /nfs/dbraw/zinc/48/94/81/598489481.db2.gz LVKYNVFYHLBJNU-UHFFFAOYSA-N -1 3 361.409 3.224 20 0 FGADHM C[C@H](OC(=O)c1cnn(Cc2ccccc2)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000736164119 598489684 /nfs/dbraw/zinc/48/96/84/598489684.db2.gz UJJJGWGVRRPOFW-AWEZNQCLSA-N -1 3 374.404 3.030 20 0 FGADHM C[C@H](OC(=O)c1cnn(Cc2ccccc2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000736164119 598489685 /nfs/dbraw/zinc/48/96/85/598489685.db2.gz UJJJGWGVRRPOFW-AWEZNQCLSA-N -1 3 374.404 3.030 20 0 FGADHM CC(C)(C)c1nc(C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)cs1 ZINC000735656653 598490632 /nfs/dbraw/zinc/49/06/32/598490632.db2.gz LLVYBGZJTBVLMQ-UHFFFAOYSA-N -1 3 373.486 3.430 20 0 FGADHM CC(C)(C)c1nc(C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)cs1 ZINC000735656653 598490634 /nfs/dbraw/zinc/49/06/34/598490634.db2.gz LLVYBGZJTBVLMQ-UHFFFAOYSA-N -1 3 373.486 3.430 20 0 FGADHM CCOc1c(C)cc(COC(=O)Cc2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000736627729 598492241 /nfs/dbraw/zinc/49/22/41/598492241.db2.gz MJKRYDKLHRQNKG-UHFFFAOYSA-N -1 3 366.421 3.168 20 0 FGADHM CCOc1c(C)cc(COC(=O)Cc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000736627729 598492244 /nfs/dbraw/zinc/49/22/44/598492244.db2.gz MJKRYDKLHRQNKG-UHFFFAOYSA-N -1 3 366.421 3.168 20 0 FGADHM CCc1c(C)sc(NC(=O)c2ccc(NC(C)=O)cc2)c1-c1nnn[n-]1 ZINC000736675232 598518672 /nfs/dbraw/zinc/51/86/72/598518672.db2.gz HHYQEZKGZSNUJV-UHFFFAOYSA-N -1 3 370.438 3.010 20 0 FGADHM CCc1c(C)sc(NC(=O)c2ccc(NC(C)=O)cc2)c1-c1nn[n-]n1 ZINC000736675232 598518673 /nfs/dbraw/zinc/51/86/73/598518673.db2.gz HHYQEZKGZSNUJV-UHFFFAOYSA-N -1 3 370.438 3.010 20 0 FGADHM CC[C@@H](Cc1ccccc1)NC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736349623 598528698 /nfs/dbraw/zinc/52/86/98/598528698.db2.gz HTUYSRSCUBAKSP-SFHVURJKSA-N -1 3 364.453 3.029 20 0 FGADHM CC[C@@H](Cc1ccccc1)NC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736349623 598528699 /nfs/dbraw/zinc/52/86/99/598528699.db2.gz HTUYSRSCUBAKSP-SFHVURJKSA-N -1 3 364.453 3.029 20 0 FGADHM O=C(CSc1c(F)cc(F)cc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000737941448 598569577 /nfs/dbraw/zinc/56/95/77/598569577.db2.gz AZTKUHVIVHQRJD-UHFFFAOYSA-N -1 3 350.325 3.259 20 0 FGADHM O=C(CSc1c(F)cc(F)cc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000737941448 598569579 /nfs/dbraw/zinc/56/95/79/598569579.db2.gz AZTKUHVIVHQRJD-UHFFFAOYSA-N -1 3 350.325 3.259 20 0 FGADHM O=C(Nc1ccc(Cl)cc1)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738162874 598571028 /nfs/dbraw/zinc/57/10/28/598571028.db2.gz GVPJNUVTTTWNBN-INIZCTEOSA-N -1 3 368.828 3.128 20 0 FGADHM O=C(Nc1ccccc1-c1nnn[n-]1)c1csc(-c2ccccc2F)n1 ZINC000738191430 598572528 /nfs/dbraw/zinc/57/25/28/598572528.db2.gz KKKMKTVYJWCGGA-UHFFFAOYSA-N -1 3 366.381 3.382 20 0 FGADHM O=C(Nc1ccccc1-c1nn[n-]n1)c1csc(-c2ccccc2F)n1 ZINC000738191430 598572530 /nfs/dbraw/zinc/57/25/30/598572530.db2.gz KKKMKTVYJWCGGA-UHFFFAOYSA-N -1 3 366.381 3.382 20 0 FGADHM Clc1cccc(Cc2noc(CNc3ccc(-c4nn[n-]n4)cc3)n2)c1 ZINC000737573974 598582244 /nfs/dbraw/zinc/58/22/44/598582244.db2.gz ITUXZGLUQWOOFN-UHFFFAOYSA-N -1 3 367.800 3.106 20 0 FGADHM Cc1cccc(C)c1OCCC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737388211 598586039 /nfs/dbraw/zinc/58/60/39/598586039.db2.gz CKIDDQPBYUIEQT-UHFFFAOYSA-N -1 3 355.373 3.030 20 0 FGADHM Cc1cccc(C)c1OCCC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737388211 598586041 /nfs/dbraw/zinc/58/60/41/598586041.db2.gz CKIDDQPBYUIEQT-UHFFFAOYSA-N -1 3 355.373 3.030 20 0 FGADHM O=C(CCOc1cccc(Cl)c1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737848274 598586791 /nfs/dbraw/zinc/58/67/91/598586791.db2.gz QWHHIUWKGDOCEH-UHFFFAOYSA-N -1 3 361.764 3.067 20 0 FGADHM O=C(CCOc1cccc(Cl)c1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737848274 598586792 /nfs/dbraw/zinc/58/67/92/598586792.db2.gz QWHHIUWKGDOCEH-UHFFFAOYSA-N -1 3 361.764 3.067 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(C(F)(F)F)cc1 ZINC000738167796 598592555 /nfs/dbraw/zinc/59/25/55/598592555.db2.gz VKZDPEFSJFCIAA-UHFFFAOYSA-N -1 3 351.263 3.277 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(C(F)(F)F)cc1 ZINC000738167796 598592554 /nfs/dbraw/zinc/59/25/54/598592554.db2.gz VKZDPEFSJFCIAA-UHFFFAOYSA-N -1 3 351.263 3.277 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1[nH]c2ccccc2c1Cl ZINC000738167227 598599608 /nfs/dbraw/zinc/59/96/08/598599608.db2.gz POIQBLXVUBBXBJ-UHFFFAOYSA-N -1 3 356.748 3.393 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1[nH]c2ccccc2c1Cl ZINC000738167227 598599611 /nfs/dbraw/zinc/59/96/11/598599611.db2.gz POIQBLXVUBBXBJ-UHFFFAOYSA-N -1 3 356.748 3.393 20 0 FGADHM C[C@H](COc1cccc(F)c1)OC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000736037014 598606555 /nfs/dbraw/zinc/60/65/55/598606555.db2.gz BXDGQGZQYGBYGX-ASCRHOAZSA-N -1 3 368.368 3.030 20 0 FGADHM C[C@H](COc1cccc(F)c1)OC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000736037014 598606557 /nfs/dbraw/zinc/60/65/57/598606557.db2.gz BXDGQGZQYGBYGX-ASCRHOAZSA-N -1 3 368.368 3.030 20 0 FGADHM COc1ccccc1-c1noc([C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737138226 598607293 /nfs/dbraw/zinc/60/72/93/598607293.db2.gz LQDLHRJPFUXPQI-NSHDSACASA-N -1 3 364.365 3.065 20 0 FGADHM CCC[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000736435529 598608836 /nfs/dbraw/zinc/60/88/36/598608836.db2.gz MOWYKICDRHQIOQ-CKEIUWERSA-N -1 3 357.458 3.109 20 0 FGADHM CCCc1noc(-c2ccc(COc3ccccc3-c3nnn[n-]3)o2)n1 ZINC000736500533 598609844 /nfs/dbraw/zinc/60/98/44/598609844.db2.gz QXIHJIVGWWHNQF-UHFFFAOYSA-N -1 3 352.354 3.041 20 0 FGADHM CCCc1noc(-c2ccc(COc3ccccc3-c3nn[n-]n3)o2)n1 ZINC000736500533 598609846 /nfs/dbraw/zinc/60/98/46/598609846.db2.gz QXIHJIVGWWHNQF-UHFFFAOYSA-N -1 3 352.354 3.041 20 0 FGADHM Clc1cccc(Cc2noc(Cc3ccc(-c4nnn[n-]4)cc3)n2)c1 ZINC000737576106 598613054 /nfs/dbraw/zinc/61/30/54/598613054.db2.gz VFRNYSUVPMEQBR-UHFFFAOYSA-N -1 3 352.785 3.085 20 0 FGADHM Clc1cccc(Cc2noc(Cc3ccc(-c4nn[n-]n4)cc3)n2)c1 ZINC000737576106 598613056 /nfs/dbraw/zinc/61/30/56/598613056.db2.gz VFRNYSUVPMEQBR-UHFFFAOYSA-N -1 3 352.785 3.085 20 0 FGADHM CCC(CC)N(CCOC)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736345287 598622937 /nfs/dbraw/zinc/62/29/37/598622937.db2.gz HIVQEASBGCLBDK-UHFFFAOYSA-N -1 3 366.853 3.189 20 0 FGADHM CCC(CC)N(CCOC)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736345287 598622939 /nfs/dbraw/zinc/62/29/39/598622939.db2.gz HIVQEASBGCLBDK-UHFFFAOYSA-N -1 3 366.853 3.189 20 0 FGADHM COc1ccc(CN(C)c2ccc(-c3nnn[n-]3)c(Cl)c2)c(OC)c1 ZINC000737091778 598636493 /nfs/dbraw/zinc/63/64/93/598636493.db2.gz YODXJYACULWTHC-UHFFFAOYSA-N -1 3 359.817 3.174 20 0 FGADHM COc1ccc(CN(C)c2ccc(-c3nn[n-]n3)c(Cl)c2)c(OC)c1 ZINC000737091778 598636494 /nfs/dbraw/zinc/63/64/94/598636494.db2.gz YODXJYACULWTHC-UHFFFAOYSA-N -1 3 359.817 3.174 20 0 FGADHM CCn1c(SCc2ccc(F)cc2-c2nnn[n-]2)nnc1-c1ccco1 ZINC000736714972 598643159 /nfs/dbraw/zinc/64/31/59/598643159.db2.gz YJKFASNNBJXFHX-UHFFFAOYSA-N -1 3 371.401 3.170 20 0 FGADHM CCn1c(SCc2ccc(F)cc2-c2nn[n-]n2)nnc1-c1ccco1 ZINC000736714972 598643161 /nfs/dbraw/zinc/64/31/61/598643161.db2.gz YJKFASNNBJXFHX-UHFFFAOYSA-N -1 3 371.401 3.170 20 0 FGADHM Fc1ccc(-c2nc(CSc3ccc(-c4nnn[n-]4)cn3)co2)cc1F ZINC000737650336 598645202 /nfs/dbraw/zinc/64/52/02/598645202.db2.gz HPNFCBPSZZZHTK-UHFFFAOYSA-N -1 3 372.360 3.487 20 0 FGADHM Fc1ccc(-c2nc(CSc3ccc(-c4nn[n-]n4)cn3)co2)cc1F ZINC000737650336 598645204 /nfs/dbraw/zinc/64/52/04/598645204.db2.gz HPNFCBPSZZZHTK-UHFFFAOYSA-N -1 3 372.360 3.487 20 0 FGADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)Oc1cccc(F)c1 ZINC000737843071 598645386 /nfs/dbraw/zinc/64/53/86/598645386.db2.gz ZNVNRMUQSOEPCI-UHFFFAOYSA-N -1 3 356.357 3.161 20 0 FGADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)Oc1cccc(F)c1 ZINC000737843071 598645388 /nfs/dbraw/zinc/64/53/88/598645388.db2.gz ZNVNRMUQSOEPCI-UHFFFAOYSA-N -1 3 356.357 3.161 20 0 FGADHM C[C@@H](Nc1cc(N2CCC[C@H](C)C2)ncn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736278317 598649491 /nfs/dbraw/zinc/64/94/91/598649491.db2.gz RNYBIVFHJHZXNP-UONOGXRCSA-N -1 3 364.457 3.066 20 0 FGADHM C[C@H](Nc1cc(N2CCC[C@H](C)C2)ncn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736278315 598649540 /nfs/dbraw/zinc/64/95/40/598649540.db2.gz RNYBIVFHJHZXNP-KBPBESRZSA-N -1 3 364.457 3.066 20 0 FGADHM C[C@@H](CSc1ccccc1)C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736047538 598649612 /nfs/dbraw/zinc/64/96/12/598649612.db2.gz RGNHOIMDKQITKI-KBPBESRZSA-N -1 3 367.478 3.472 20 0 FGADHM C[C@@H](CSc1ccccc1)C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736047538 598649614 /nfs/dbraw/zinc/64/96/14/598649614.db2.gz RGNHOIMDKQITKI-KBPBESRZSA-N -1 3 367.478 3.472 20 0 FGADHM O[C@H](CNc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cccc(Cl)c1 ZINC000738381916 598652362 /nfs/dbraw/zinc/65/23/62/598652362.db2.gz IYBFKDPEDIGAPS-CQSZACIVSA-N -1 3 350.209 3.319 20 0 FGADHM O[C@H](CNc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cccc(Cl)c1 ZINC000738381916 598652361 /nfs/dbraw/zinc/65/23/61/598652361.db2.gz IYBFKDPEDIGAPS-CQSZACIVSA-N -1 3 350.209 3.319 20 0 FGADHM CCN(CC)c1ccc(CNc2ccc(-c3nnn[n-]3)c(Cl)c2)cn1 ZINC000736532501 598652832 /nfs/dbraw/zinc/65/28/32/598652832.db2.gz UIWRFCUVZSZVGK-UHFFFAOYSA-N -1 3 357.849 3.373 20 0 FGADHM CCN(CC)c1ccc(CNc2ccc(-c3nn[n-]n3)c(Cl)c2)cn1 ZINC000736532501 598652834 /nfs/dbraw/zinc/65/28/34/598652834.db2.gz UIWRFCUVZSZVGK-UHFFFAOYSA-N -1 3 357.849 3.373 20 0 FGADHM O=C(NC1CC1)c1cccc(CNc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000738023853 598654090 /nfs/dbraw/zinc/65/40/90/598654090.db2.gz WFERRRNMNDHHDM-UHFFFAOYSA-N -1 3 368.828 3.024 20 0 FGADHM O=C(NC1CC1)c1cccc(CNc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000738023853 598654092 /nfs/dbraw/zinc/65/40/92/598654092.db2.gz WFERRRNMNDHHDM-UHFFFAOYSA-N -1 3 368.828 3.024 20 0 FGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)Nc1ccc2ncsc2c1 ZINC000737948249 598654480 /nfs/dbraw/zinc/65/44/80/598654480.db2.gz RENJFYQMONTNMD-UHFFFAOYSA-N -1 3 368.447 3.207 20 0 FGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)Nc1ccc2ncsc2c1 ZINC000737948249 598654481 /nfs/dbraw/zinc/65/44/81/598654481.db2.gz RENJFYQMONTNMD-UHFFFAOYSA-N -1 3 368.447 3.207 20 0 FGADHM CCOc1cc(C)ccc1NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736626993 598654881 /nfs/dbraw/zinc/65/48/81/598654881.db2.gz WAKAUNPNDQIOOY-UHFFFAOYSA-N -1 3 369.450 3.305 20 0 FGADHM CCOc1cc(C)ccc1NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736626993 598654883 /nfs/dbraw/zinc/65/48/83/598654883.db2.gz WAKAUNPNDQIOOY-UHFFFAOYSA-N -1 3 369.450 3.305 20 0 FGADHM Cc1ccsc1CNC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000737441327 598655111 /nfs/dbraw/zinc/65/51/11/598655111.db2.gz FDFQWHRQITYBOU-UHFFFAOYSA-N -1 3 371.466 3.102 20 0 FGADHM Cc1ccsc1CNC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000737441327 598655113 /nfs/dbraw/zinc/65/51/13/598655113.db2.gz FDFQWHRQITYBOU-UHFFFAOYSA-N -1 3 371.466 3.102 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(C)(C)c1ccc(F)cc1 ZINC000736633491 598656537 /nfs/dbraw/zinc/65/65/37/598656537.db2.gz BXGXGPQZZHLRFS-UHFFFAOYSA-N -1 3 369.400 3.321 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(C)(C)c1ccc(F)cc1 ZINC000736633491 598656539 /nfs/dbraw/zinc/65/65/39/598656539.db2.gz BXGXGPQZZHLRFS-UHFFFAOYSA-N -1 3 369.400 3.321 20 0 FGADHM Fc1cc(CNc2ccc(-c3nnn[n-]3)c(Cl)c2)ccc1-n1ccnc1 ZINC000737644653 598657819 /nfs/dbraw/zinc/65/78/19/598657819.db2.gz JIYKNDIFGKUGFD-UHFFFAOYSA-N -1 3 369.791 3.457 20 0 FGADHM Fc1cc(CNc2ccc(-c3nn[n-]n3)c(Cl)c2)ccc1-n1ccnc1 ZINC000737644653 598657821 /nfs/dbraw/zinc/65/78/21/598657821.db2.gz JIYKNDIFGKUGFD-UHFFFAOYSA-N -1 3 369.791 3.457 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cn1)c1ccccc1COc1ccccc1 ZINC000738151114 598659637 /nfs/dbraw/zinc/65/96/37/598659637.db2.gz NJQBGQKQRYUXTP-UHFFFAOYSA-N -1 3 372.388 3.093 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cn1)c1ccccc1COc1ccccc1 ZINC000738151114 598659639 /nfs/dbraw/zinc/65/96/39/598659639.db2.gz NJQBGQKQRYUXTP-UHFFFAOYSA-N -1 3 372.388 3.093 20 0 FGADHM C[C@@H](NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000736103465 598664411 /nfs/dbraw/zinc/66/44/11/598664411.db2.gz WQUBTEOTHJODMH-OAHLLOKOSA-N -1 3 365.437 3.293 20 0 FGADHM C[C@@H](NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000736103465 598664412 /nfs/dbraw/zinc/66/44/12/598664412.db2.gz WQUBTEOTHJODMH-OAHLLOKOSA-N -1 3 365.437 3.293 20 0 FGADHM Fc1ccc(COc2cccc(Oc3ncccn3)c2)c(-c2nnn[n-]2)c1 ZINC000737650617 598677036 /nfs/dbraw/zinc/67/70/36/598677036.db2.gz UEFQVYFDDRQPDE-UHFFFAOYSA-N -1 3 364.340 3.167 20 0 FGADHM Fc1ccc(COc2cccc(Oc3ncccn3)c2)c(-c2nn[n-]n2)c1 ZINC000737650617 598677038 /nfs/dbraw/zinc/67/70/38/598677038.db2.gz UEFQVYFDDRQPDE-UHFFFAOYSA-N -1 3 364.340 3.167 20 0 FGADHM C[C@H](SCc1ccc(F)cc1-c1nnn[n-]1)C(=O)N(C)c1ccccc1 ZINC000736189232 598696066 /nfs/dbraw/zinc/69/60/66/598696066.db2.gz OPCZCOWJWYDINI-LBPRGKRZSA-N -1 3 371.441 3.291 20 0 FGADHM C[C@H](SCc1ccc(F)cc1-c1nn[n-]n1)C(=O)N(C)c1ccccc1 ZINC000736189232 598696068 /nfs/dbraw/zinc/69/60/68/598696068.db2.gz OPCZCOWJWYDINI-LBPRGKRZSA-N -1 3 371.441 3.291 20 0 FGADHM O=C(c1cccc(-c2nnn[n-]2)c1)N1CCC(Cc2ccccc2F)CC1 ZINC000738268649 598699311 /nfs/dbraw/zinc/69/93/11/598699311.db2.gz MQZJWTXKBGHHIR-UHFFFAOYSA-N -1 3 365.412 3.101 20 0 FGADHM O=C(c1cccc(-c2nn[n-]n2)c1)N1CCC(Cc2ccccc2F)CC1 ZINC000738268649 598699313 /nfs/dbraw/zinc/69/93/13/598699313.db2.gz MQZJWTXKBGHHIR-UHFFFAOYSA-N -1 3 365.412 3.101 20 0 FGADHM CC(C)Oc1ccc(C(=O)OCc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000735914722 598701289 /nfs/dbraw/zinc/70/12/89/598701289.db2.gz IOJYWNAKVWOMCE-UHFFFAOYSA-N -1 3 356.357 3.150 20 0 FGADHM CC(C)Oc1ccc(C(=O)OCc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000735914722 598701292 /nfs/dbraw/zinc/70/12/92/598701292.db2.gz IOJYWNAKVWOMCE-UHFFFAOYSA-N -1 3 356.357 3.150 20 0 FGADHM Cc1cc(C(=O)OCc2ccc(F)cc2-c2nnn[n-]2)c(C)n1C(C)C ZINC000737242589 598702890 /nfs/dbraw/zinc/70/28/90/598702890.db2.gz PBGMVMGPWZKXOH-UHFFFAOYSA-N -1 3 357.389 3.362 20 0 FGADHM Cc1cc(C(=O)OCc2ccc(F)cc2-c2nn[n-]n2)c(C)n1C(C)C ZINC000737242589 598702891 /nfs/dbraw/zinc/70/28/91/598702891.db2.gz PBGMVMGPWZKXOH-UHFFFAOYSA-N -1 3 357.389 3.362 20 0 FGADHM c1cn(Cc2coc(-c3ccccc3)n2)nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC000738423748 598723732 /nfs/dbraw/zinc/72/37/32/598723732.db2.gz UEYXCPMRUUWWBP-UHFFFAOYSA-N -1 3 369.388 3.434 20 0 FGADHM c1cn(Cc2coc(-c3ccccc3)n2)nc1-c1ccc(-c2nn[n-]n2)cc1 ZINC000738423748 598723733 /nfs/dbraw/zinc/72/37/33/598723733.db2.gz UEYXCPMRUUWWBP-UHFFFAOYSA-N -1 3 369.388 3.434 20 0 FGADHM CC(C)[C@H]1CCCC[C@@H]1NC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000735752186 598726806 /nfs/dbraw/zinc/72/68/06/598726806.db2.gz YMZSRCVFEVTYCK-SJORKVTESA-N -1 3 356.474 3.223 20 0 FGADHM CC(C)[C@H]1CCCC[C@@H]1NC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000735752186 598726808 /nfs/dbraw/zinc/72/68/08/598726808.db2.gz YMZSRCVFEVTYCK-SJORKVTESA-N -1 3 356.474 3.223 20 0 FGADHM CCc1nc([C@H](C)NC(=O)Nc2cc(-c3nnn[n-]3)ccc2C)cs1 ZINC000736700226 598729262 /nfs/dbraw/zinc/72/92/62/598729262.db2.gz SDKSVTLJWOFOIJ-JTQLQIEISA-N -1 3 357.443 3.077 20 0 FGADHM CCc1nc([C@H](C)NC(=O)Nc2cc(-c3nn[n-]n3)ccc2C)cs1 ZINC000736700226 598729264 /nfs/dbraw/zinc/72/92/64/598729264.db2.gz SDKSVTLJWOFOIJ-JTQLQIEISA-N -1 3 357.443 3.077 20 0 FGADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)OCc1cccs1 ZINC000737843048 598734812 /nfs/dbraw/zinc/73/48/12/598734812.db2.gz YPWPJAGDSCQEMP-UHFFFAOYSA-N -1 3 358.423 3.221 20 0 FGADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)OCc1cccs1 ZINC000737843048 598734813 /nfs/dbraw/zinc/73/48/13/598734813.db2.gz YPWPJAGDSCQEMP-UHFFFAOYSA-N -1 3 358.423 3.221 20 0 FGADHM O=C(Nc1sccc1-c1nnn[n-]1)c1cc(F)c(Cl)nc1Cl ZINC000738206693 598735018 /nfs/dbraw/zinc/73/50/18/598735018.db2.gz GLQKDLJYZLKFEF-UHFFFAOYSA-N -1 3 359.173 3.021 20 0 FGADHM O=C(Nc1sccc1-c1nn[n-]n1)c1cc(F)c(Cl)nc1Cl ZINC000738206693 598735019 /nfs/dbraw/zinc/73/50/19/598735019.db2.gz GLQKDLJYZLKFEF-UHFFFAOYSA-N -1 3 359.173 3.021 20 0 FGADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)OCCc1ccsc1 ZINC000737843072 598735939 /nfs/dbraw/zinc/73/59/39/598735939.db2.gz ZPSQPILROXBXBT-UHFFFAOYSA-N -1 3 372.450 3.263 20 0 FGADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)OCCc1ccsc1 ZINC000737843072 598735940 /nfs/dbraw/zinc/73/59/40/598735940.db2.gz ZPSQPILROXBXBT-UHFFFAOYSA-N -1 3 372.450 3.263 20 0 FGADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1)c1ccc2[nH]c(C(F)F)nc2c1 ZINC000738229792 598740690 /nfs/dbraw/zinc/74/06/90/598740690.db2.gz AIIDDICHROMXNZ-UHFFFAOYSA-N -1 3 370.319 3.038 20 0 FGADHM C[C@@H](Cc1ccccc1)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000736057626 598740938 /nfs/dbraw/zinc/74/09/38/598740938.db2.gz IHCBJJVNFKXJPP-NSHDSACASA-N -1 3 353.451 3.234 20 0 FGADHM C[C@@H](Cc1ccccc1)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000736057626 598740940 /nfs/dbraw/zinc/74/09/40/598740940.db2.gz IHCBJJVNFKXJPP-NSHDSACASA-N -1 3 353.451 3.234 20 0 FGADHM Cc1ccc(C)n1C1CCN(c2c(F)cc(-c3nnn[n-]3)cc2F)CC1 ZINC000737332899 598747162 /nfs/dbraw/zinc/74/71/62/598747162.db2.gz XNPNCDPTDBMJMU-UHFFFAOYSA-N -1 3 358.396 3.405 20 0 FGADHM Cc1ccc(C)n1C1CCN(c2c(F)cc(-c3nn[n-]n3)cc2F)CC1 ZINC000737332899 598747163 /nfs/dbraw/zinc/74/71/63/598747163.db2.gz XNPNCDPTDBMJMU-UHFFFAOYSA-N -1 3 358.396 3.405 20 0 FGADHM Cc1ccccc1[C@H](NC(=O)COc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000737419164 598754791 /nfs/dbraw/zinc/75/47/91/598754791.db2.gz DDLJMWDFHVLWMM-LJQANCHMSA-N -1 3 365.437 3.067 20 0 FGADHM CCN(C(=O)c1ccc(SC)o1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736509381 598763255 /nfs/dbraw/zinc/76/32/55/598763255.db2.gz WRKGVEMBUOXNFW-NSHDSACASA-N -1 3 357.439 3.405 20 0 FGADHM CCN(C(=O)c1ccc(SC)o1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736509381 598763256 /nfs/dbraw/zinc/76/32/56/598763256.db2.gz WRKGVEMBUOXNFW-NSHDSACASA-N -1 3 357.439 3.405 20 0 FGADHM Clc1ccccc1[C@H]1CN(Cc2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000737585097 598765144 /nfs/dbraw/zinc/76/51/44/598765144.db2.gz YJUFMXRIURLHHE-QGZVFWFLSA-N -1 3 355.829 3.094 20 0 FGADHM Clc1ccccc1[C@H]1CN(Cc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000737585097 598765146 /nfs/dbraw/zinc/76/51/46/598765146.db2.gz YJUFMXRIURLHHE-QGZVFWFLSA-N -1 3 355.829 3.094 20 0 FGADHM CCCCOCCCNc1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21 ZINC000736460764 598770141 /nfs/dbraw/zinc/77/01/41/598770141.db2.gz PNUANRAISDZGGJ-UHFFFAOYSA-N -1 3 362.384 3.312 20 0 FGADHM CCCCOCCCNc1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21 ZINC000736460764 598770143 /nfs/dbraw/zinc/77/01/43/598770143.db2.gz PNUANRAISDZGGJ-UHFFFAOYSA-N -1 3 362.384 3.312 20 0 FGADHM Fc1cc(F)c2ncc(-c3nnn[n-]3)c(NCCOC3CCCCC3)c2c1 ZINC000737653887 598772003 /nfs/dbraw/zinc/77/20/03/598772003.db2.gz UDYOADHHZBWUFZ-UHFFFAOYSA-N -1 3 374.395 3.454 20 0 FGADHM Fc1cc(F)c2ncc(-c3nn[n-]n3)c(NCCOC3CCCCC3)c2c1 ZINC000737653887 598772005 /nfs/dbraw/zinc/77/20/05/598772005.db2.gz UDYOADHHZBWUFZ-UHFFFAOYSA-N -1 3 374.395 3.454 20 0 FGADHM Brc1ccc2c(c1)N(Cc1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000735368911 598776199 /nfs/dbraw/zinc/77/61/99/598776199.db2.gz PBTJCBBKJXMAEN-UHFFFAOYSA-N -1 3 356.227 3.192 20 0 FGADHM Brc1ccc2c(c1)N(Cc1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000735368911 598776201 /nfs/dbraw/zinc/77/62/01/598776201.db2.gz PBTJCBBKJXMAEN-UHFFFAOYSA-N -1 3 356.227 3.192 20 0 FGADHM CC[C@H](CC(=O)OCCOc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000736333473 598780817 /nfs/dbraw/zinc/78/08/17/598780817.db2.gz RBYQPUDLOXYQSM-OAHLLOKOSA-N -1 3 366.421 3.373 20 0 FGADHM CC[C@H](CC(=O)OCCOc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000736333473 598780818 /nfs/dbraw/zinc/78/08/18/598780818.db2.gz RBYQPUDLOXYQSM-OAHLLOKOSA-N -1 3 366.421 3.373 20 0 FGADHM CC(C)N(Cc1ccccc1F)C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000735874108 598782834 /nfs/dbraw/zinc/78/28/34/598782834.db2.gz MNMLSNRUXDPYLR-UHFFFAOYSA-N -1 3 368.416 3.126 20 0 FGADHM CC(C)N(Cc1ccccc1F)C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000735874108 598782837 /nfs/dbraw/zinc/78/28/37/598782837.db2.gz MNMLSNRUXDPYLR-UHFFFAOYSA-N -1 3 368.416 3.126 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1CNc1cc(C)c(Cl)cc1OC ZINC000821732638 607369163 /nfs/dbraw/zinc/36/91/63/607369163.db2.gz RFOKUNADHUBAPP-UHFFFAOYSA-N -1 3 359.817 3.458 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1CNc1cc(C)c(Cl)cc1OC ZINC000821732638 607369164 /nfs/dbraw/zinc/36/91/64/607369164.db2.gz RFOKUNADHUBAPP-UHFFFAOYSA-N -1 3 359.817 3.458 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)NC/C=C\c1ccccc1 ZINC000736633592 598800164 /nfs/dbraw/zinc/80/01/64/598800164.db2.gz BCNVQPZDLLPNKQ-TWGQIWQCSA-N -1 3 364.409 3.100 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)NC/C=C\c1ccccc1 ZINC000736633592 598800165 /nfs/dbraw/zinc/80/01/65/598800165.db2.gz BCNVQPZDLLPNKQ-TWGQIWQCSA-N -1 3 364.409 3.100 20 0 FGADHM Cc1cc(C(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)no1 ZINC000737238070 598821804 /nfs/dbraw/zinc/82/18/04/598821804.db2.gz IDGJSXKUXTWDNW-UHFFFAOYSA-N -1 3 362.349 3.208 20 0 FGADHM C[C@@H]1C[C@H]1NC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000820675481 599296674 /nfs/dbraw/zinc/29/66/74/599296674.db2.gz JIYQVNZOHRARHP-QMTHXVAHSA-N -1 3 368.372 3.328 20 0 FGADHM C[C@@H]1C[C@H]1NC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000820675481 599296675 /nfs/dbraw/zinc/29/66/75/599296675.db2.gz JIYQVNZOHRARHP-QMTHXVAHSA-N -1 3 368.372 3.328 20 0 FGADHM C[C@@H](SCc1ccccc1)C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736191219 599304155 /nfs/dbraw/zinc/30/41/55/599304155.db2.gz HLEUINHEBOYWBJ-CYBMUJFWSA-N -1 3 353.451 3.151 20 0 FGADHM C[C@@H](SCc1ccccc1)C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736191219 599304158 /nfs/dbraw/zinc/30/41/58/599304158.db2.gz HLEUINHEBOYWBJ-CYBMUJFWSA-N -1 3 353.451 3.151 20 0 FGADHM Brc1cccc2c1CN(c1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000735367899 599304559 /nfs/dbraw/zinc/30/45/59/599304559.db2.gz AOAUFJXJLHXKHI-UHFFFAOYSA-N -1 3 356.227 3.192 20 0 FGADHM CN(C(=O)Cc1ccc(Cl)cc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000736740032 599305716 /nfs/dbraw/zinc/30/57/16/599305716.db2.gz XYPDXGNVVHNOHZ-UHFFFAOYSA-N -1 3 362.220 3.379 20 0 FGADHM CN(C(=O)Cc1ccc(Cl)cc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000736740032 599305718 /nfs/dbraw/zinc/30/57/18/599305718.db2.gz XYPDXGNVVHNOHZ-UHFFFAOYSA-N -1 3 362.220 3.379 20 0 FGADHM CC(C)c1ccc(OCC(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735928208 599306419 /nfs/dbraw/zinc/30/64/19/599306419.db2.gz ILDMTLWOFQTAMN-UHFFFAOYSA-N -1 3 351.410 3.032 20 0 FGADHM CC(C)c1ccc(OCC(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735928208 599306423 /nfs/dbraw/zinc/30/64/23/599306423.db2.gz ILDMTLWOFQTAMN-UHFFFAOYSA-N -1 3 351.410 3.032 20 0 FGADHM C[C@@H](c1ccc(-c2nnn[n-]2)cc1)N1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000736197613 599314059 /nfs/dbraw/zinc/31/40/59/599314059.db2.gz BCMUYQXGVCNEKZ-KPZWWZAWSA-N -1 3 371.391 3.279 20 0 FGADHM C[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000736197613 599314060 /nfs/dbraw/zinc/31/40/60/599314060.db2.gz BCMUYQXGVCNEKZ-KPZWWZAWSA-N -1 3 371.391 3.279 20 0 FGADHM C[C@@H]1C[C@@H]2CCCC[C@@H]2N1c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000736239639 599321837 /nfs/dbraw/zinc/32/18/37/599321837.db2.gz SVIZLGZTQMZUOC-SCVCMEIPSA-N -1 3 352.364 3.438 20 0 FGADHM C[C@@H]1C[C@@H]2CCCC[C@@H]2N1c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000736239639 599321840 /nfs/dbraw/zinc/32/18/40/599321840.db2.gz SVIZLGZTQMZUOC-SCVCMEIPSA-N -1 3 352.364 3.438 20 0 FGADHM Brc1cccc(NCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000735369531 599323000 /nfs/dbraw/zinc/32/30/00/599323000.db2.gz WCJKDDUKKIDSTB-UHFFFAOYSA-N -1 3 360.215 3.120 20 0 FGADHM Brc1cccc(NCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC000735369531 599323003 /nfs/dbraw/zinc/32/30/03/599323003.db2.gz WCJKDDUKKIDSTB-UHFFFAOYSA-N -1 3 360.215 3.120 20 0 FGADHM CCOc1ccc(NCCOc2cccc(-c3nnn[n-]3)c2)cc1Cl ZINC000736646827 599327535 /nfs/dbraw/zinc/32/75/35/599327535.db2.gz KZRMBQFLMGJNGM-UHFFFAOYSA-N -1 3 359.817 3.410 20 0 FGADHM CCOc1ccc(NCCOc2cccc(-c3nn[n-]n3)c2)cc1Cl ZINC000736646827 599327537 /nfs/dbraw/zinc/32/75/37/599327537.db2.gz KZRMBQFLMGJNGM-UHFFFAOYSA-N -1 3 359.817 3.410 20 0 FGADHM Cc1sc(NC(=O)CNc2ccc(F)c(-c3nnn[n-]3)c2)c(C)c1C ZINC000737565687 599331038 /nfs/dbraw/zinc/33/10/38/599331038.db2.gz WAKCQOPFVDIHEI-UHFFFAOYSA-N -1 3 360.418 3.043 20 0 FGADHM Cc1sc(NC(=O)CNc2ccc(F)c(-c3nn[n-]n3)c2)c(C)c1C ZINC000737565687 599331040 /nfs/dbraw/zinc/33/10/40/599331040.db2.gz WAKCQOPFVDIHEI-UHFFFAOYSA-N -1 3 360.418 3.043 20 0 FGADHM CC(C)(CNC(=O)Nc1cccc(-c2nnn[n-]2)c1)c1cccc(F)c1 ZINC000735670227 599332131 /nfs/dbraw/zinc/33/21/31/599332131.db2.gz JUOHPQGTPAVUBX-UHFFFAOYSA-N -1 3 354.389 3.105 20 0 FGADHM CC(C)(CNC(=O)Nc1cccc(-c2nn[n-]n2)c1)c1cccc(F)c1 ZINC000735670227 599332134 /nfs/dbraw/zinc/33/21/34/599332134.db2.gz JUOHPQGTPAVUBX-UHFFFAOYSA-N -1 3 354.389 3.105 20 0 FGADHM Cc1csc(C2(NC(=O)Nc3cccc(-c4nnn[n-]4)c3)CCCC2)n1 ZINC000737454722 599348463 /nfs/dbraw/zinc/34/84/63/599348463.db2.gz FJLSFRVINAWZHI-UHFFFAOYSA-N -1 3 369.454 3.223 20 0 FGADHM Cc1csc(C2(NC(=O)Nc3cccc(-c4nn[n-]n4)c3)CCCC2)n1 ZINC000737454722 599348465 /nfs/dbraw/zinc/34/84/65/599348465.db2.gz FJLSFRVINAWZHI-UHFFFAOYSA-N -1 3 369.454 3.223 20 0 FGADHM COC[C@H](Nc1ccc(-c2nnn[n-]2)cn1)c1cccc(C(F)(F)F)c1 ZINC000736976168 599350447 /nfs/dbraw/zinc/35/04/47/599350447.db2.gz DKCYMDHDOBZKLY-ZDUSSCGKSA-N -1 3 364.331 3.080 20 0 FGADHM COC[C@H](Nc1ccc(-c2nn[n-]n2)cn1)c1cccc(C(F)(F)F)c1 ZINC000736976168 599350451 /nfs/dbraw/zinc/35/04/51/599350451.db2.gz DKCYMDHDOBZKLY-ZDUSSCGKSA-N -1 3 364.331 3.080 20 0 FGADHM OCC[C@H](Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)C1CCCCC1 ZINC000738395090 599350932 /nfs/dbraw/zinc/35/09/32/599350932.db2.gz VVCDNMTZDGZSLN-LBPRGKRZSA-N -1 3 370.379 3.024 20 0 FGADHM OCC[C@H](Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)C1CCCCC1 ZINC000738395090 599350936 /nfs/dbraw/zinc/35/09/36/599350936.db2.gz VVCDNMTZDGZSLN-LBPRGKRZSA-N -1 3 370.379 3.024 20 0 FGADHM CN(C)c1cc(CNc2ccc(F)cc2-c2nnn[n-]2)c2ccccc2n1 ZINC000821588502 599361381 /nfs/dbraw/zinc/36/13/81/599361381.db2.gz VZPUXRMTVNOLSV-UHFFFAOYSA-N -1 3 363.400 3.232 20 0 FGADHM CN(C)c1cc(CNc2ccc(F)cc2-c2nn[n-]n2)c2ccccc2n1 ZINC000821588502 599361383 /nfs/dbraw/zinc/36/13/83/599361383.db2.gz VZPUXRMTVNOLSV-UHFFFAOYSA-N -1 3 363.400 3.232 20 0 FGADHM COc1ccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1NC(C)=O ZINC000821835700 599365717 /nfs/dbraw/zinc/36/57/17/599365717.db2.gz PTNSKVYDNFNETI-NSHDSACASA-N -1 3 352.398 3.007 20 0 FGADHM COc1ccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1NC(C)=O ZINC000821835700 599365720 /nfs/dbraw/zinc/36/57/20/599365720.db2.gz PTNSKVYDNFNETI-NSHDSACASA-N -1 3 352.398 3.007 20 0 FGADHM Cc1cccc(Cl)c1OC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000737396672 599374284 /nfs/dbraw/zinc/37/42/84/599374284.db2.gz JTRZSCCPQHXIQY-LLVKDONJSA-N -1 3 358.785 3.201 20 0 FGADHM C[C@@H](CCC(C)(C)C)NC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000735986277 599380028 /nfs/dbraw/zinc/38/00/28/599380028.db2.gz QIXFMSIYPDMFNX-WMLDXEAASA-N -1 3 370.501 3.167 20 0 FGADHM CCN(CC)C(=O)c1ccc(OCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000821175861 599386338 /nfs/dbraw/zinc/38/63/38/599386338.db2.gz XHBSGTPEZYYNKU-UHFFFAOYSA-N -1 3 369.400 3.067 20 0 FGADHM CCN(CC)C(=O)c1ccc(OCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000821175861 599386341 /nfs/dbraw/zinc/38/63/41/599386341.db2.gz XHBSGTPEZYYNKU-UHFFFAOYSA-N -1 3 369.400 3.067 20 0 FGADHM Cc1ccccc1[C@@H](C)CC(=O)OCC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826305581 607373328 /nfs/dbraw/zinc/37/33/28/607373328.db2.gz BPGVKRQNYGAEMX-AWEZNQCLSA-N -1 3 364.405 3.095 20 0 FGADHM Cc1ccccc1[C@@H](C)CC(=O)OCC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826305581 607373331 /nfs/dbraw/zinc/37/33/31/607373331.db2.gz BPGVKRQNYGAEMX-AWEZNQCLSA-N -1 3 364.405 3.095 20 0 FGADHM C[C@@H](Nc1cnc2cc(F)c(F)cc2n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736139313 599406206 /nfs/dbraw/zinc/40/62/06/599406206.db2.gz VHVAMRMYDZMGAN-SECBINFHSA-N -1 3 353.336 3.261 20 0 FGADHM C[C@@H](Nc1cnc2cc(F)c(F)cc2n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736139313 599406209 /nfs/dbraw/zinc/40/62/09/599406209.db2.gz VHVAMRMYDZMGAN-SECBINFHSA-N -1 3 353.336 3.261 20 0 FGADHM O=C(CC/C=C\c1ccccc1)OCC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826405719 607375236 /nfs/dbraw/zinc/37/52/36/607375236.db2.gz QTHNZRCAUBMDKV-YWEYNIOJSA-N -1 3 362.389 3.086 20 0 FGADHM O=C(CC/C=C\c1ccccc1)OCC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826405719 607375238 /nfs/dbraw/zinc/37/52/38/607375238.db2.gz QTHNZRCAUBMDKV-YWEYNIOJSA-N -1 3 362.389 3.086 20 0 FGADHM C[C@@H](NC(=O)N1CC[C@@H]1c1cccc(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820339226 599419725 /nfs/dbraw/zinc/41/97/25/599419725.db2.gz ACKIVQLECSZZJZ-SJKOYZFVSA-N -1 3 366.400 3.223 20 0 FGADHM C[C@@H](NC(=O)N1CC[C@@H]1c1cccc(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820339226 599419728 /nfs/dbraw/zinc/41/97/28/599419728.db2.gz ACKIVQLECSZZJZ-SJKOYZFVSA-N -1 3 366.400 3.223 20 0 FGADHM CC[C@H](NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F)C1CCCCC1 ZINC000820920238 599431148 /nfs/dbraw/zinc/43/11/48/599431148.db2.gz NSSOYXAPGZEYHR-INIZCTEOSA-N -1 3 360.437 3.164 20 0 FGADHM CC[C@H](NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F)C1CCCCC1 ZINC000820920238 599431150 /nfs/dbraw/zinc/43/11/50/599431150.db2.gz NSSOYXAPGZEYHR-INIZCTEOSA-N -1 3 360.437 3.164 20 0 FGADHM Cc1cccc([C@H](C)CNC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000822289547 599446809 /nfs/dbraw/zinc/44/68/09/599446809.db2.gz ZBXLDUDZSWIBFQ-HUUCEWRRSA-N -1 3 364.453 3.339 20 0 FGADHM Cc1cccc([C@H](C)CNC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000822289547 599446812 /nfs/dbraw/zinc/44/68/12/599446812.db2.gz ZBXLDUDZSWIBFQ-HUUCEWRRSA-N -1 3 364.453 3.339 20 0 FGADHM Cc1ccc(CC[C@H](C)NC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)o1 ZINC000822235209 599456663 /nfs/dbraw/zinc/45/66/63/599456663.db2.gz XNKGPBHHRLRUBJ-GXTWGEPZSA-N -1 3 368.441 3.150 20 0 FGADHM Cc1ccc(CC[C@H](C)NC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)o1 ZINC000822235209 599456665 /nfs/dbraw/zinc/45/66/65/599456665.db2.gz XNKGPBHHRLRUBJ-GXTWGEPZSA-N -1 3 368.441 3.150 20 0 FGADHM C[C@@H](NC(=O)N(C)Cc1ccccc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000820339428 599473271 /nfs/dbraw/zinc/47/32/71/599473271.db2.gz BZWHZBUZAAPXDC-GFCCVEGCSA-N -1 3 370.844 3.423 20 0 FGADHM C[C@@H](NC(=O)N(C)Cc1ccccc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000820339428 599473275 /nfs/dbraw/zinc/47/32/75/599473275.db2.gz BZWHZBUZAAPXDC-GFCCVEGCSA-N -1 3 370.844 3.423 20 0 FGADHM C[C@H](NC(=O)N1CCC2(C1)CCCCC2)c1cccc(-c2nnn[n-]2)c1 ZINC000820339418 599473457 /nfs/dbraw/zinc/47/34/57/599473457.db2.gz BRYYBGUXCGDWNO-AWEZNQCLSA-N -1 3 354.458 3.294 20 0 FGADHM C[C@H](NC(=O)N1CCC2(C1)CCCCC2)c1cccc(-c2nn[n-]n2)c1 ZINC000820339418 599473459 /nfs/dbraw/zinc/47/34/59/599473459.db2.gz BRYYBGUXCGDWNO-AWEZNQCLSA-N -1 3 354.458 3.294 20 0 FGADHM C[C@H](NC(=O)N(C)[C@@H](C)c1ccc(F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820340406 599477777 /nfs/dbraw/zinc/47/77/77/599477777.db2.gz JSOINJHKFGQFAC-STQMWFEESA-N -1 3 368.416 3.469 20 0 FGADHM C[C@H](NC(=O)N(C)[C@@H](C)c1ccc(F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820340406 599477779 /nfs/dbraw/zinc/47/77/79/599477779.db2.gz JSOINJHKFGQFAC-STQMWFEESA-N -1 3 368.416 3.469 20 0 FGADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N[C@H](C)Cc1ccsc1 ZINC000822335366 599491051 /nfs/dbraw/zinc/49/10/51/599491051.db2.gz KHZFNFGTBBXCMP-GFCCVEGCSA-N -1 3 350.451 3.250 20 0 FGADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N[C@H](C)Cc1ccsc1 ZINC000822335366 599491054 /nfs/dbraw/zinc/49/10/54/599491054.db2.gz KHZFNFGTBBXCMP-GFCCVEGCSA-N -1 3 350.451 3.250 20 0 FGADHM O=C(CCc1cc(Cl)cs1)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737850872 599500032 /nfs/dbraw/zinc/50/00/32/599500032.db2.gz BGRNZDNCTKSZIJ-UHFFFAOYSA-N -1 3 366.805 3.397 20 0 FGADHM O=C(CCc1cc(Cl)cs1)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737850872 599500035 /nfs/dbraw/zinc/50/00/35/599500035.db2.gz BGRNZDNCTKSZIJ-UHFFFAOYSA-N -1 3 366.805 3.397 20 0 FGADHM COc1ccccc1[C@@H](C)CC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821883602 599507689 /nfs/dbraw/zinc/50/76/89/599507689.db2.gz YCZZAELDVXOZIK-KBPBESRZSA-N -1 3 365.437 3.246 20 0 FGADHM COc1ccccc1[C@@H](C)CC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821883602 599507692 /nfs/dbraw/zinc/50/76/92/599507692.db2.gz YCZZAELDVXOZIK-KBPBESRZSA-N -1 3 365.437 3.246 20 0 FGADHM CC(C)c1nc([C@H]2CCCN(c3cc(Cl)ccc3-c3nnn[n-]3)C2)no1 ZINC000820203695 599508082 /nfs/dbraw/zinc/50/80/82/599508082.db2.gz XUUZDJLZLROKQP-NSHDSACASA-N -1 3 373.848 3.411 20 0 FGADHM CC(C)c1nc([C@H]2CCCN(c3cc(Cl)ccc3-c3nn[n-]n3)C2)no1 ZINC000820203695 599508084 /nfs/dbraw/zinc/50/80/84/599508084.db2.gz XUUZDJLZLROKQP-NSHDSACASA-N -1 3 373.848 3.411 20 0 FGADHM Cc1csc([C@H]2CCCN(c3nc(C)cc(C)c3-c3nnn[n-]3)C2)n1 ZINC000822409117 599509433 /nfs/dbraw/zinc/50/94/33/599509433.db2.gz MIWKNEJWNVHXEN-ZDUSSCGKSA-N -1 3 355.471 3.027 20 0 FGADHM Cc1csc([C@H]2CCCN(c3nc(C)cc(C)c3-c3nn[n-]n3)C2)n1 ZINC000822409117 599509435 /nfs/dbraw/zinc/50/94/35/599509435.db2.gz MIWKNEJWNVHXEN-ZDUSSCGKSA-N -1 3 355.471 3.027 20 0 FGADHM CC(C)Oc1ccccc1CC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820178568 599513528 /nfs/dbraw/zinc/51/35/28/599513528.db2.gz UHQSBIPMNUDKED-AWEZNQCLSA-N -1 3 365.437 3.074 20 0 FGADHM CC(C)Oc1ccccc1CC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820178568 599513529 /nfs/dbraw/zinc/51/35/29/599513529.db2.gz UHQSBIPMNUDKED-AWEZNQCLSA-N -1 3 365.437 3.074 20 0 FGADHM c1ccc(NCCCCNc2cc(-c3nnn[n-]3)nc3ccccc32)nc1 ZINC000823787021 599519954 /nfs/dbraw/zinc/51/99/54/599519954.db2.gz HQYBHDAOIHZBMU-UHFFFAOYSA-N -1 3 360.425 3.114 20 0 FGADHM C[C@@H](SCC(=O)Nc1sccc1-c1nnn[n-]1)c1cccs1 ZINC000736192369 599522061 /nfs/dbraw/zinc/52/20/61/599522061.db2.gz YPCVLSGCUIASNE-MRVPVSSYSA-N -1 3 351.482 3.423 20 0 FGADHM C[C@@H](SCC(=O)Nc1sccc1-c1nn[n-]n1)c1cccs1 ZINC000736192369 599522064 /nfs/dbraw/zinc/52/20/64/599522064.db2.gz YPCVLSGCUIASNE-MRVPVSSYSA-N -1 3 351.482 3.423 20 0 FGADHM Fc1ccc(N2CCC[C@@H]2c2ccc3c(c2)OCO3)c(-c2nnn[n-]2)c1 ZINC000822778690 599524211 /nfs/dbraw/zinc/52/42/11/599524211.db2.gz MUBCNZLOWRSNLQ-CQSZACIVSA-N -1 3 353.357 3.076 20 0 FGADHM Fc1ccc(N2CCC[C@@H]2c2ccc3c(c2)OCO3)c(-c2nn[n-]n2)c1 ZINC000822778690 599524214 /nfs/dbraw/zinc/52/42/14/599524214.db2.gz MUBCNZLOWRSNLQ-CQSZACIVSA-N -1 3 353.357 3.076 20 0 FGADHM c1ccc2c(c1)CC[C@H](CNc1cc(-c3nnn[n-]3)c3ccccc3n1)N2 ZINC000823796814 599525555 /nfs/dbraw/zinc/52/55/55/599525555.db2.gz HKOQNURATXYZMQ-CQSZACIVSA-N -1 3 357.421 3.254 20 0 FGADHM c1ccc2c(c1)CC[C@H](CNc1cc(-c3nn[n-]n3)c3ccccc3n1)N2 ZINC000823796814 599525557 /nfs/dbraw/zinc/52/55/57/599525557.db2.gz HKOQNURATXYZMQ-CQSZACIVSA-N -1 3 357.421 3.254 20 0 FGADHM C[C@H](NC(=O)CCOc1ccc(Cl)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820329774 599528656 /nfs/dbraw/zinc/52/86/56/599528656.db2.gz ZWEOGTNQUAWDFS-LBPRGKRZSA-N -1 3 371.828 3.166 20 0 FGADHM C[C@H](NC(=O)CCOc1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820329774 599528659 /nfs/dbraw/zinc/52/86/59/599528659.db2.gz ZWEOGTNQUAWDFS-LBPRGKRZSA-N -1 3 371.828 3.166 20 0 FGADHM CCOc1cc(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)ccc1C ZINC000821394549 599529659 /nfs/dbraw/zinc/52/96/59/599529659.db2.gz LGSDQUVDMALUKJ-ZDUSSCGKSA-N -1 3 351.410 3.065 20 0 FGADHM CCOc1cc(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)ccc1C ZINC000821394549 599529661 /nfs/dbraw/zinc/52/96/61/599529661.db2.gz LGSDQUVDMALUKJ-ZDUSSCGKSA-N -1 3 351.410 3.065 20 0 FGADHM Clc1cccc(-c2nnn[n-]2)c1N1CCCO[C@H](c2ccccc2)C1 ZINC000822581413 599530161 /nfs/dbraw/zinc/53/01/61/599530161.db2.gz HWOXZKCZGJMQPE-INIZCTEOSA-N -1 3 355.829 3.488 20 0 FGADHM Clc1cccc(-c2nn[n-]n2)c1N1CCCO[C@H](c2ccccc2)C1 ZINC000822581413 599530163 /nfs/dbraw/zinc/53/01/63/599530163.db2.gz HWOXZKCZGJMQPE-INIZCTEOSA-N -1 3 355.829 3.488 20 0 FGADHM C[C@H](NC(=O)C=Cc1ccc2ccccc2n1)c1cccc(-c2nnn[n-]2)c1 ZINC000820321826 599530560 /nfs/dbraw/zinc/53/05/60/599530560.db2.gz MWHHLDVTHONVFM-NYHXXUGCSA-N -1 3 370.416 3.306 20 0 FGADHM C[C@H](NC(=O)C=Cc1ccc2ccccc2n1)c1cccc(-c2nn[n-]n2)c1 ZINC000820321826 599530563 /nfs/dbraw/zinc/53/05/63/599530563.db2.gz MWHHLDVTHONVFM-NYHXXUGCSA-N -1 3 370.416 3.306 20 0 FGADHM CC[C@H](c1ccncc1)N(C)C(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000736396469 599536216 /nfs/dbraw/zinc/53/62/16/599536216.db2.gz NHXXLCDPUONSJZ-OAHLLOKOSA-N -1 3 353.455 3.042 20 0 FGADHM CC[C@H](c1ccncc1)N(C)C(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000736396469 599536219 /nfs/dbraw/zinc/53/62/19/599536219.db2.gz NHXXLCDPUONSJZ-OAHLLOKOSA-N -1 3 353.455 3.042 20 0 FGADHM C[C@@H](C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1)c1ccsc1 ZINC000735513420 599541409 /nfs/dbraw/zinc/54/14/09/599541409.db2.gz NFFPPEKHELVWGX-GFCCVEGCSA-N -1 3 353.451 3.223 20 0 FGADHM C[C@@H](C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1)c1ccsc1 ZINC000735513420 599541411 /nfs/dbraw/zinc/54/14/11/599541411.db2.gz NFFPPEKHELVWGX-GFCCVEGCSA-N -1 3 353.451 3.223 20 0 FGADHM Cc1ncsc1CN(C)c1c(-c2nnn[n-]2)cnc2ccc(Cl)cc21 ZINC000822482572 599547582 /nfs/dbraw/zinc/54/75/82/599547582.db2.gz WPKNEVRSTWKPBL-UHFFFAOYSA-N -1 3 371.857 3.470 20 0 FGADHM Cc1ncsc1CN(C)c1c(-c2nn[n-]n2)cnc2ccc(Cl)cc21 ZINC000822482572 599547583 /nfs/dbraw/zinc/54/75/83/599547583.db2.gz WPKNEVRSTWKPBL-UHFFFAOYSA-N -1 3 371.857 3.470 20 0 FGADHM CN(c1c(-c2nnn[n-]2)cnc2ccccc21)[C@H]1CCc2ccccc2C1 ZINC000821619319 599557926 /nfs/dbraw/zinc/55/79/26/599557926.db2.gz RANVNESIHMCEOT-INIZCTEOSA-N -1 3 356.433 3.409 20 0 FGADHM CN(c1c(-c2nn[n-]n2)cnc2ccccc21)[C@H]1CCc2ccccc2C1 ZINC000821619319 599557927 /nfs/dbraw/zinc/55/79/27/599557927.db2.gz RANVNESIHMCEOT-INIZCTEOSA-N -1 3 356.433 3.409 20 0 FGADHM Cc1ccc([C@H]2[C@H](C)CCCN2C(=O)c2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000737327783 599558307 /nfs/dbraw/zinc/55/83/07/599558307.db2.gz ANYJIHNPJOCEPS-RDTXWAMCSA-N -1 3 362.437 3.184 20 0 FGADHM Cc1ccc([C@H]2[C@H](C)CCCN2C(=O)c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000737327783 599558310 /nfs/dbraw/zinc/55/83/10/599558310.db2.gz ANYJIHNPJOCEPS-RDTXWAMCSA-N -1 3 362.437 3.184 20 0 FGADHM Cc1ccc([C@H]2[C@@H](C)CCCN2C(=O)c2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000737327780 599558442 /nfs/dbraw/zinc/55/84/42/599558442.db2.gz ANYJIHNPJOCEPS-KBXCAEBGSA-N -1 3 362.437 3.184 20 0 FGADHM Cc1ccc([C@H]2[C@@H](C)CCCN2C(=O)c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000737327780 599558445 /nfs/dbraw/zinc/55/84/45/599558445.db2.gz ANYJIHNPJOCEPS-KBXCAEBGSA-N -1 3 362.437 3.184 20 0 FGADHM CSC[C@@H](C)NC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737176320 599569791 /nfs/dbraw/zinc/56/97/91/599569791.db2.gz MOKOREFVCBNEHI-GFCCVEGCSA-N -1 3 368.466 3.092 20 0 FGADHM C[C@@H]1Cc2ccccc2N(Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)C1 ZINC000820814269 599573901 /nfs/dbraw/zinc/57/39/01/599573901.db2.gz UIVRUAZZTQIZPE-CYBMUJFWSA-N -1 3 373.420 3.116 20 0 FGADHM C[C@@H]1Cc2ccccc2N(Cc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)C1 ZINC000820814269 599573903 /nfs/dbraw/zinc/57/39/03/599573903.db2.gz UIVRUAZZTQIZPE-CYBMUJFWSA-N -1 3 373.420 3.116 20 0 FGADHM O=C(CC/C=C\c1ccccc1)OCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000737826746 599606074 /nfs/dbraw/zinc/60/60/74/599606074.db2.gz UNWUVIQLNOJQRB-YWEYNIOJSA-N -1 3 364.405 3.282 20 0 FGADHM CC(C)CO[C@H]1C[C@@H](OC(=O)CCc2ccc(-c3nnn[n-]3)cc2)C1(C)C ZINC000735839573 599618896 /nfs/dbraw/zinc/61/88/96/599618896.db2.gz YZJVGGBCZKLHSW-DLBZAZTESA-N -1 3 372.469 3.182 20 0 FGADHM CC(C)CO[C@H]1C[C@@H](OC(=O)CCc2ccc(-c3nn[n-]n3)cc2)C1(C)C ZINC000735839573 599618898 /nfs/dbraw/zinc/61/88/98/599618898.db2.gz YZJVGGBCZKLHSW-DLBZAZTESA-N -1 3 372.469 3.182 20 0 FGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1)[C@H]1C[C@@]12CCCc1ccccc12 ZINC000823430893 599623720 /nfs/dbraw/zinc/62/37/20/599623720.db2.gz LDTDGUGCOMJTQZ-WIYYLYMNSA-N -1 3 360.417 3.204 20 0 FGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1)[C@H]1C[C@@]12CCCc1ccccc12 ZINC000823430893 599623721 /nfs/dbraw/zinc/62/37/21/599623721.db2.gz LDTDGUGCOMJTQZ-WIYYLYMNSA-N -1 3 360.417 3.204 20 0 FGADHM C[C@@H](CC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)n1cccc1 ZINC000820225168 599634283 /nfs/dbraw/zinc/63/42/83/599634283.db2.gz CEHLENFNPDDRLO-JTQLQIEISA-N -1 3 364.331 3.277 20 0 FGADHM C[C@@H](CC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)n1cccc1 ZINC000820225168 599634284 /nfs/dbraw/zinc/63/42/84/599634284.db2.gz CEHLENFNPDDRLO-JTQLQIEISA-N -1 3 364.331 3.277 20 0 FGADHM CCc1cccc2c1N(Cc1nnc(-c3cccc(-c4nnn[n-]4)c3)o1)CC2 ZINC000821492460 599638647 /nfs/dbraw/zinc/63/86/47/599638647.db2.gz NQQCERFOMDCJLM-UHFFFAOYSA-N -1 3 373.420 3.042 20 0 FGADHM CCc1cccc2c1N(Cc1nnc(-c3cccc(-c4nn[n-]n4)c3)o1)CC2 ZINC000821492460 599638648 /nfs/dbraw/zinc/63/86/48/599638648.db2.gz NQQCERFOMDCJLM-UHFFFAOYSA-N -1 3 373.420 3.042 20 0 FGADHM C[C@H](CCOc1ccccc1)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820249636 599651927 /nfs/dbraw/zinc/65/19/27/599651927.db2.gz XXCXVGHLWRURLM-CABCVRRESA-N -1 3 365.437 3.149 20 0 FGADHM C[C@H](CCOc1ccccc1)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820249636 599651928 /nfs/dbraw/zinc/65/19/28/599651928.db2.gz XXCXVGHLWRURLM-CABCVRRESA-N -1 3 365.437 3.149 20 0 FGADHM C[C@@H](CCc1cccc(F)c1)C(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000820254821 599669780 /nfs/dbraw/zinc/66/97/80/599669780.db2.gz XUDZBKNNUPZGPL-LBPRGKRZSA-N -1 3 372.375 3.457 20 0 FGADHM C[C@@H](CCc1cccc(F)c1)C(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000820254821 599669781 /nfs/dbraw/zinc/66/97/81/599669781.db2.gz XUDZBKNNUPZGPL-LBPRGKRZSA-N -1 3 372.375 3.457 20 0 FGADHM CCSCC[C@@H](C)N(C)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821454083 599681471 /nfs/dbraw/zinc/68/14/71/599681471.db2.gz CZWQJGAKKROVNS-CHWSQXEVSA-N -1 3 362.503 3.101 20 0 FGADHM CCSCC[C@@H](C)N(C)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821454083 599681472 /nfs/dbraw/zinc/68/14/72/599681472.db2.gz CZWQJGAKKROVNS-CHWSQXEVSA-N -1 3 362.503 3.101 20 0 FGADHM OCCC1(CNc2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)CCCC1 ZINC000823718426 599687876 /nfs/dbraw/zinc/68/78/76/599687876.db2.gz SWAVOAQCCPAJGN-UHFFFAOYSA-N -1 3 374.395 3.048 20 0 FGADHM OCCC1(CNc2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)CCCC1 ZINC000823718426 599687877 /nfs/dbraw/zinc/68/78/77/599687877.db2.gz SWAVOAQCCPAJGN-UHFFFAOYSA-N -1 3 374.395 3.048 20 0 FGADHM CC[C@@H](Nc1ncccc1-c1nnn[n-]1)c1nc(C(F)(F)F)cs1 ZINC000820924872 599688525 /nfs/dbraw/zinc/68/85/25/599688525.db2.gz ARORVLIODBXQDP-MRVPVSSYSA-N -1 3 355.349 3.300 20 0 FGADHM CC[C@@H](Nc1ncccc1-c1nn[n-]n1)c1nc(C(F)(F)F)cs1 ZINC000820924872 599688526 /nfs/dbraw/zinc/68/85/26/599688526.db2.gz ARORVLIODBXQDP-MRVPVSSYSA-N -1 3 355.349 3.300 20 0 FGADHM Cc1ccc(-c2nc(CNc3nc(C)cc(C)c3-c3nnn[n-]3)co2)cc1 ZINC000822214175 599688586 /nfs/dbraw/zinc/68/85/86/599688586.db2.gz SGPFIXDSTUNXKQ-UHFFFAOYSA-N -1 3 361.409 3.454 20 0 FGADHM Cc1ccc(-c2nc(CNc3nc(C)cc(C)c3-c3nn[n-]n3)co2)cc1 ZINC000822214175 599688587 /nfs/dbraw/zinc/68/85/87/599688587.db2.gz SGPFIXDSTUNXKQ-UHFFFAOYSA-N -1 3 361.409 3.454 20 0 FGADHM CCCCc1nc(COC(=O)c2ccc(-c3nnn[n-]3)cc2C)cs1 ZINC000825296729 607387348 /nfs/dbraw/zinc/38/73/48/607387348.db2.gz UMXQNVKWEREARJ-UHFFFAOYSA-N -1 3 357.439 3.331 20 0 FGADHM CCCCc1nc(COC(=O)c2ccc(-c3nn[n-]n3)cc2C)cs1 ZINC000825296729 607387350 /nfs/dbraw/zinc/38/73/50/607387350.db2.gz UMXQNVKWEREARJ-UHFFFAOYSA-N -1 3 357.439 3.331 20 0 FGADHM Cc1ccccc1C(=O)NC1CCN([C@@H](C(=O)[O-])c2ccc(F)cc2)CC1 ZINC000738754394 599710660 /nfs/dbraw/zinc/71/06/60/599710660.db2.gz HYSCKXOBFOFICR-LJQANCHMSA-N -1 3 370.424 3.154 20 0 FGADHM Cc1ccsc1[C@@H]1C[C@H]1C(=O)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000826316319 607391311 /nfs/dbraw/zinc/39/13/11/607391311.db2.gz KHIITPRSMRPQTI-ZIAGYGMSSA-N -1 3 358.398 3.223 20 0 FGADHM Cc1ccsc1[C@@H]1C[C@H]1C(=O)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000826316319 607391313 /nfs/dbraw/zinc/39/13/13/607391313.db2.gz KHIITPRSMRPQTI-ZIAGYGMSSA-N -1 3 358.398 3.223 20 0 FGADHM Cc1ccsc1[C@H]1C[C@@H]1C(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000826316706 607392211 /nfs/dbraw/zinc/39/22/11/607392211.db2.gz WIXONKBHEAMWMB-KBPBESRZSA-N -1 3 358.398 3.223 20 0 FGADHM Cc1ccsc1[C@H]1C[C@@H]1C(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000826316706 607392213 /nfs/dbraw/zinc/39/22/13/607392213.db2.gz WIXONKBHEAMWMB-KBPBESRZSA-N -1 3 358.398 3.223 20 0 FGADHM Cc1ccc([C@H](CNC(=O)Nc2ccc(CCC(=O)[O-])cc2)N(C)C)cc1 ZINC000738563022 599825155 /nfs/dbraw/zinc/82/51/55/599825155.db2.gz XHFDIKBRQVILSQ-IBGZPJMESA-N -1 3 369.465 3.437 20 0 FGADHM COc1ccc([C@@H](NCc2cc(=O)oc3cc(C)c(C)cc23)C(=O)[O-])cc1 ZINC000737972990 599859424 /nfs/dbraw/zinc/85/94/24/599859424.db2.gz PSNBERIUWHEVQK-HXUWFJFHSA-N -1 3 367.401 3.334 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)c1sccc1OC(F)F ZINC000826254476 607406807 /nfs/dbraw/zinc/40/68/07/607406807.db2.gz NEPXOPBYEKMCJA-UHFFFAOYSA-N -1 3 366.349 3.195 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)c1sccc1OC(F)F ZINC000826254476 607406809 /nfs/dbraw/zinc/40/68/09/607406809.db2.gz NEPXOPBYEKMCJA-UHFFFAOYSA-N -1 3 366.349 3.195 20 0 FGADHM COc1ccccc1C(C)=CC(=O)OCc1ccc(-c2nnn[n-]2)cc1C ZINC000826218575 607407402 /nfs/dbraw/zinc/40/74/02/607407402.db2.gz GRVNDAXORIWSSS-SDNWHVSQSA-N -1 3 364.405 3.330 20 0 FGADHM COc1ccccc1C(C)=CC(=O)OCc1ccc(-c2nn[n-]n2)cc1C ZINC000826218575 607407403 /nfs/dbraw/zinc/40/74/03/607407403.db2.gz GRVNDAXORIWSSS-SDNWHVSQSA-N -1 3 364.405 3.330 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000826253656 607409494 /nfs/dbraw/zinc/40/94/94/607409494.db2.gz YBFADKWBJFXUQA-GDBMZVCRSA-N -1 3 370.359 3.300 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000826253656 607409496 /nfs/dbraw/zinc/40/94/96/607409496.db2.gz YBFADKWBJFXUQA-GDBMZVCRSA-N -1 3 370.359 3.300 20 0 FGADHM O=C([O-])[C@@H](c1ccc(F)cc1)N1CCC(NC(=O)CC2CCCC2)CC1 ZINC000739219275 599978065 /nfs/dbraw/zinc/97/80/65/599978065.db2.gz RTIFNJQXIRIIJG-LJQANCHMSA-N -1 3 362.445 3.112 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)[C@H]1CCCc2ccccc21 ZINC000821736521 607411897 /nfs/dbraw/zinc/41/18/97/607411897.db2.gz LQOCNSPNTRMNIF-KRWDZBQOSA-N -1 3 364.405 3.039 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)[C@H]1CCCc2ccccc21 ZINC000821736521 607411898 /nfs/dbraw/zinc/41/18/98/607411898.db2.gz LQOCNSPNTRMNIF-KRWDZBQOSA-N -1 3 364.405 3.039 20 0 FGADHM Cc1cccc(C[C@@H](CNC(=O)Nc2cccc(CN(C)C)c2)C(=O)[O-])c1 ZINC000738709884 600009791 /nfs/dbraw/zinc/00/97/91/600009791.db2.gz XJTBJJMFRPWEQD-SFHVURJKSA-N -1 3 369.465 3.122 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)c1sccc1SC ZINC000821749304 607417054 /nfs/dbraw/zinc/41/70/54/607417054.db2.gz GELWMOOBPIXEEJ-UHFFFAOYSA-N -1 3 362.436 3.016 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)c1sccc1SC ZINC000821749304 607417056 /nfs/dbraw/zinc/41/70/56/607417056.db2.gz GELWMOOBPIXEEJ-UHFFFAOYSA-N -1 3 362.436 3.016 20 0 FGADHM Cc1cccc2c(CC(=O)NC3(c4cccc(-c5nnn[n-]5)c4)CC3)c[nH]c21 ZINC000826304203 607417645 /nfs/dbraw/zinc/41/76/45/607417645.db2.gz BURXINKJVINONL-UHFFFAOYSA-N -1 3 372.432 3.004 20 0 FGADHM Cc1cccc2c(CC(=O)NC3(c4cccc(-c5nn[n-]n5)c4)CC3)c[nH]c21 ZINC000826304203 607417646 /nfs/dbraw/zinc/41/76/46/607417646.db2.gz BURXINKJVINONL-UHFFFAOYSA-N -1 3 372.432 3.004 20 0 FGADHM CCC[C@@H](NCC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-])c1ccccc1 ZINC000736971838 600077481 /nfs/dbraw/zinc/07/74/81/600077481.db2.gz DNAYRRCMWKBGDZ-UXHICEINSA-N -1 3 366.461 3.156 20 0 FGADHM O=C(NC1(c2cccc(-c3nnn[n-]3)c2)CC1)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000826427840 607426337 /nfs/dbraw/zinc/42/63/37/607426337.db2.gz COVJFQOYBDRQCQ-IAGOWNOFSA-N -1 3 351.454 3.188 20 0 FGADHM O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000826427840 607426338 /nfs/dbraw/zinc/42/63/38/607426338.db2.gz COVJFQOYBDRQCQ-IAGOWNOFSA-N -1 3 351.454 3.188 20 0 FGADHM C[C@H](C(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1cccc(Cl)c1 ZINC000824039647 607421732 /nfs/dbraw/zinc/42/17/32/607421732.db2.gz GIQPZPFUUYYHMI-LBPRGKRZSA-N -1 3 367.840 3.429 20 0 FGADHM C[C@H](C(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1cccc(Cl)c1 ZINC000824039647 607421734 /nfs/dbraw/zinc/42/17/34/607421734.db2.gz GIQPZPFUUYYHMI-LBPRGKRZSA-N -1 3 367.840 3.429 20 0 FGADHM COc1ccc(NC(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)cc1 ZINC000821832011 607430378 /nfs/dbraw/zinc/43/03/78/607430378.db2.gz WDNXFTLWZLTSAJ-UHFFFAOYSA-N -1 3 368.397 3.307 20 0 FGADHM COc1ccc(NC(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)cc1 ZINC000821832011 607430380 /nfs/dbraw/zinc/43/03/80/607430380.db2.gz WDNXFTLWZLTSAJ-UHFFFAOYSA-N -1 3 368.397 3.307 20 0 FGADHM Cc1ccc(F)c2c1N(C(=O)c1ccc(-c3nnn[n-]3)cc1C)CCC2 ZINC000826245162 607431935 /nfs/dbraw/zinc/43/19/35/607431935.db2.gz PJCIBFKCGKBMLM-UHFFFAOYSA-N -1 3 351.385 3.216 20 0 FGADHM Cc1ccc(F)c2c1N(C(=O)c1ccc(-c3nn[n-]n3)cc1C)CCC2 ZINC000826245162 607431936 /nfs/dbraw/zinc/43/19/36/607431936.db2.gz PJCIBFKCGKBMLM-UHFFFAOYSA-N -1 3 351.385 3.216 20 0 FGADHM CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000824910741 607436592 /nfs/dbraw/zinc/43/65/92/607436592.db2.gz YMBLSVIXROFEOL-OLMNPRSZSA-N -1 3 371.485 3.307 20 0 FGADHM CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000824910741 607436594 /nfs/dbraw/zinc/43/65/94/607436594.db2.gz YMBLSVIXROFEOL-OLMNPRSZSA-N -1 3 371.485 3.307 20 0 FGADHM C[C@H](CNC(=O)Nc1cccc(NC(=O)[O-])c1)N(C)Cc1ccccc1 ZINC000736599803 600380988 /nfs/dbraw/zinc/38/09/88/600380988.db2.gz ZBVPSJKTCXEDRD-CQSZACIVSA-N -1 3 356.426 3.419 20 0 FGADHM CN(C)CCN(Cc1ccccc1)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000737369040 600388999 /nfs/dbraw/zinc/38/89/99/600388999.db2.gz DPLYWJQTUARKKE-UHFFFAOYSA-N -1 3 359.401 3.120 20 0 FGADHM CC(C)Oc1ccc(NC(=O)c2cccc3cc[nH]c32)cc1-c1nnn[n-]1 ZINC000820173563 607440849 /nfs/dbraw/zinc/44/08/49/607440849.db2.gz HZLSSSYRUJWANU-UHFFFAOYSA-N -1 3 362.393 3.388 20 0 FGADHM CC(C)Oc1ccc(NC(=O)c2cccc3cc[nH]c32)cc1-c1nn[n-]n1 ZINC000820173563 607440851 /nfs/dbraw/zinc/44/08/51/607440851.db2.gz HZLSSSYRUJWANU-UHFFFAOYSA-N -1 3 362.393 3.388 20 0 FGADHM COc1cccc([C@H](C)N2CCN([C@H](C(=O)[O-])c3ccccc3)CC2)c1 ZINC000738092138 600405744 /nfs/dbraw/zinc/40/57/44/600405744.db2.gz NRHVQFISTBJEMF-JXFKEZNVSA-N -1 3 354.450 3.200 20 0 FGADHM C[C@@H](CSCc1ccccc1)C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000824449711 607441737 /nfs/dbraw/zinc/44/17/37/607441737.db2.gz OWOSJNIPYZMYSR-AWEZNQCLSA-N -1 3 367.478 3.399 20 0 FGADHM C[C@@H](CSCc1ccccc1)C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000824449711 607441738 /nfs/dbraw/zinc/44/17/38/607441738.db2.gz OWOSJNIPYZMYSR-AWEZNQCLSA-N -1 3 367.478 3.399 20 0 FGADHM CN(C(=O)CCCc1ccc(F)c(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825818080 607442148 /nfs/dbraw/zinc/44/21/48/607442148.db2.gz VJXDLPNRRRGNDA-UHFFFAOYSA-N -1 3 357.364 3.131 20 0 FGADHM CN(C(=O)CCCc1ccc(F)c(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825818080 607442149 /nfs/dbraw/zinc/44/21/49/607442149.db2.gz VJXDLPNRRRGNDA-UHFFFAOYSA-N -1 3 357.364 3.131 20 0 FGADHM Cc1ccccc1[C@@H](C)NC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826305686 607447382 /nfs/dbraw/zinc/44/73/82/607447382.db2.gz FTLXJVAFVYUUPY-CQSZACIVSA-N -1 3 362.437 3.225 20 0 FGADHM Cc1ccccc1[C@@H](C)NC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826305686 607447384 /nfs/dbraw/zinc/44/73/84/607447384.db2.gz FTLXJVAFVYUUPY-CQSZACIVSA-N -1 3 362.437 3.225 20 0 FGADHM CC(C)[C@@H](C(=O)Nc1ccc(OCCCC(=O)[O-])cc1)N1CCCCC1 ZINC000736349736 600496261 /nfs/dbraw/zinc/49/62/61/600496261.db2.gz NVAOVWVCZNDVOZ-IBGZPJMESA-N -1 3 362.470 3.379 20 0 FGADHM CN(C)[C@H](CNC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1)c1ccccc1 ZINC000737358297 600512398 /nfs/dbraw/zinc/51/23/98/600512398.db2.gz LDYAHYDEPPTANY-MRXNPFEDSA-N -1 3 361.829 3.463 20 0 FGADHM Cc1ccc([C@H](C)N[C@@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)c(C)c1 ZINC000738550452 600523291 /nfs/dbraw/zinc/52/32/91/600523291.db2.gz FHAOFZUQLKQAPZ-HOTGVXAUSA-N -1 3 354.450 3.357 20 0 FGADHM CC[C@@H]1CCC[C@@H](NC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)C1 ZINC000825194446 607456693 /nfs/dbraw/zinc/45/66/93/607456693.db2.gz QVAMFQHQPNSCPZ-CZUORRHYSA-N -1 3 354.458 3.124 20 0 FGADHM CC[C@@H]1CCC[C@@H](NC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)C1 ZINC000825194446 607456695 /nfs/dbraw/zinc/45/66/95/607456695.db2.gz QVAMFQHQPNSCPZ-CZUORRHYSA-N -1 3 354.458 3.124 20 0 FGADHM CCN1C(=O)c2cc(Cl)ccc2N[C@H]1c1ccc(-c2nnn[n-]2)cc1F ZINC000821241445 607461589 /nfs/dbraw/zinc/46/15/89/607461589.db2.gz MUQFKYXPQGHMMO-MRXNPFEDSA-N -1 3 372.791 3.246 20 0 FGADHM CCN1C(=O)c2cc(Cl)ccc2N[C@H]1c1ccc(-c2nn[n-]n2)cc1F ZINC000821241445 607461591 /nfs/dbraw/zinc/46/15/91/607461591.db2.gz MUQFKYXPQGHMMO-MRXNPFEDSA-N -1 3 372.791 3.246 20 0 FGADHM C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)c1ccc(C(=O)[O-])cc1 ZINC000263350402 600691722 /nfs/dbraw/zinc/69/17/22/600691722.db2.gz PJZAFEKXTUHSII-INIZCTEOSA-N -1 3 352.434 3.121 20 0 FGADHM CC[C@@H]1Oc2cc([C@H](C)N[C@H](C(=O)[O-])c3ccc(F)cc3)ccc2NC1=O ZINC000829169463 600695033 /nfs/dbraw/zinc/69/50/33/600695033.db2.gz DTPAXWVGAUXXOM-PBQZTSCYSA-N -1 3 372.396 3.412 20 0 FGADHM CCOC(=O)C1(CN[C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)CCC1 ZINC000829827260 600752472 /nfs/dbraw/zinc/75/24/72/600752472.db2.gz DYRCMUVPYRRWQG-CYBMUJFWSA-N -1 3 360.237 3.442 20 0 FGADHM CC(C)[C@H](NCc1ccc(-c2nnn[n-]2)cc1F)c1nc2ccccc2[nH]1 ZINC000820025728 607473353 /nfs/dbraw/zinc/47/33/53/607473353.db2.gz CYRBNCAXZSOUBK-KRWDZBQOSA-N -1 3 365.416 3.369 20 0 FGADHM CC(C)[C@H](NCc1ccc(-c2nn[n-]n2)cc1F)c1nc2ccccc2[nH]1 ZINC000820025728 607473354 /nfs/dbraw/zinc/47/33/54/607473354.db2.gz CYRBNCAXZSOUBK-KRWDZBQOSA-N -1 3 365.416 3.369 20 0 FGADHM O=C([O-])[C@@H](c1ccccc1F)N1CCC(NC(=O)CC2CCCC2)CC1 ZINC000833094618 601006973 /nfs/dbraw/zinc/00/69/73/601006973.db2.gz YMUYMWOVQFOYAU-LJQANCHMSA-N -1 3 362.445 3.112 20 0 FGADHM C[C@@H]1CN([C@H](C(=O)[O-])c2ccccc2F)CC[C@H]1NC(=O)OC(C)(C)C ZINC000828414460 601015710 /nfs/dbraw/zinc/01/57/10/601015710.db2.gz ZVRKIVUHLQGWHC-WQVCFCJDSA-N -1 3 366.433 3.187 20 0 FGADHM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000827929155 601183705 /nfs/dbraw/zinc/18/37/05/601183705.db2.gz WEGWSCFSIZRIHX-LSDHHAIUSA-N -1 3 356.422 3.181 20 0 FGADHM C[C@H](C(=O)[O-])[C@@H](NCC(=O)N1CCCc2ccccc21)c1ccccc1 ZINC000826044528 601204802 /nfs/dbraw/zinc/20/48/02/601204802.db2.gz IAUJUPVSBBOEES-MGPUTAFESA-N -1 3 352.434 3.017 20 0 FGADHM C[C@@H](CSCc1ccccc1)C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000820291954 607497633 /nfs/dbraw/zinc/49/76/33/607497633.db2.gz AZJQZKYUMFOXRR-AWEZNQCLSA-N -1 3 367.478 3.052 20 0 FGADHM C[C@@H](CSCc1ccccc1)C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000820291954 607497635 /nfs/dbraw/zinc/49/76/35/607497635.db2.gz AZJQZKYUMFOXRR-AWEZNQCLSA-N -1 3 367.478 3.052 20 0 FGADHM C[C@@H]1[C@@H](c2ccccc2)CCN1CC(=O)NCc1ccc(NC(=O)[O-])cc1 ZINC000828150264 601329137 /nfs/dbraw/zinc/32/91/37/601329137.db2.gz PJGYTPLXBPNKJZ-BEFAXECRSA-N -1 3 367.449 3.271 20 0 FGADHM CN1CCC(N(Cc2ccccc2)C(=O)c2ccc(C(=O)[O-])s2)CC1 ZINC000830923646 601331903 /nfs/dbraw/zinc/33/19/03/601331903.db2.gz OOHMRPRGMBILAB-UHFFFAOYSA-N -1 3 358.463 3.183 20 0 FGADHM COc1ccc([C@H]2CCN(Cn3nc(C(=O)[O-])c4ccccc43)C2)cc1 ZINC000832274211 601399152 /nfs/dbraw/zinc/39/91/52/601399152.db2.gz YFHYIAJWLIRRJA-HNNXBMFYSA-N -1 3 351.406 3.190 20 0 FGADHM CCCCn1ncc(NC(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1C ZINC000821083044 607506627 /nfs/dbraw/zinc/50/66/27/607506627.db2.gz SEKIXXNIBVZICT-LBPRGKRZSA-N -1 3 368.445 3.054 20 0 FGADHM CCCCn1ncc(NC(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000821083044 607506628 /nfs/dbraw/zinc/50/66/28/607506628.db2.gz SEKIXXNIBVZICT-LBPRGKRZSA-N -1 3 368.445 3.054 20 0 FGADHM CCc1oc(C(=O)[O-])cc1CN1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000830368905 601424221 /nfs/dbraw/zinc/42/42/21/601424221.db2.gz DZQSPRGHYFVAKM-OAHLLOKOSA-N -1 3 370.449 3.182 20 0 FGADHM COc1ccc(CN2CC[C@@H]2c2ccc(Cl)cc2)cc1-c1nnn[n-]1 ZINC000826194431 607511612 /nfs/dbraw/zinc/51/16/12/607511612.db2.gz LQQBFMYZKKQRIX-MRXNPFEDSA-N -1 3 355.829 3.476 20 0 FGADHM COc1ccc(CN2CC[C@@H]2c2ccc(Cl)cc2)cc1-c1nn[n-]n1 ZINC000826194431 607511613 /nfs/dbraw/zinc/51/16/13/607511613.db2.gz LQQBFMYZKKQRIX-MRXNPFEDSA-N -1 3 355.829 3.476 20 0 FGADHM O=C([O-])c1sccc1CN1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000833137973 601484344 /nfs/dbraw/zinc/48/43/44/601484344.db2.gz DPNYREUYIYYSIZ-CQSZACIVSA-N -1 3 358.463 3.088 20 0 FGADHM CCC1CCC(NCc2csc(CC(=O)OC(C)C)n2)(C(=O)[O-])CC1 ZINC000829107845 601496296 /nfs/dbraw/zinc/49/62/96/601496296.db2.gz QVWZCVFWNYRAJC-UHFFFAOYSA-N -1 3 368.499 3.150 20 0 FGADHM O=C([O-])c1ccc(CN2CCC(C(=O)NC3CCCCC3)CC2)cc1F ZINC000833315190 601623770 /nfs/dbraw/zinc/62/37/70/601623770.db2.gz UGVOUQKTQYULDV-UHFFFAOYSA-N -1 3 362.445 3.185 20 0 FGADHM O=C(C=C1CCCCC1)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000833093228 601728314 /nfs/dbraw/zinc/72/83/14/601728314.db2.gz WRNNWIOGZPDHKS-OAQYLSRUSA-N -1 3 356.466 3.113 20 0 FGADHM O=C([O-])[C@]1(NC(=O)c2cccc(Cl)c2)CCCN(Cc2ccccc2)C1 ZINC000833128777 601736145 /nfs/dbraw/zinc/73/61/45/601736145.db2.gz MSQKHEDJMYYJIF-FQEVSTJZSA-N -1 3 372.852 3.189 20 0 FGADHM Cc1ccc([C@H](CNC(=O)NCC2(C(=O)[O-])CCCC2)N2CCCC2)cc1 ZINC000832924121 601771579 /nfs/dbraw/zinc/77/15/79/601771579.db2.gz SEJUQJLFCNLULU-SFHVURJKSA-N -1 3 373.497 3.076 20 0 FGADHM C[C@@H](NCc1c[nH]c(C(=O)[O-])c1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000827734150 601833304 /nfs/dbraw/zinc/83/33/04/601833304.db2.gz DNNRDVLYWKPNFV-CYBMUJFWSA-N -1 3 364.405 3.211 20 0 FGADHM COC(=O)CCC1CCN(CCOc2ccc(C(=O)[O-])cc2Cl)CC1 ZINC000831151747 601842365 /nfs/dbraw/zinc/84/23/65/601842365.db2.gz BQJVDRZDEJKOFH-UHFFFAOYSA-N -1 3 369.845 3.082 20 0 FGADHM CCc1ncsc1C(=O)N(CC)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825754770 607531763 /nfs/dbraw/zinc/53/17/63/607531763.db2.gz HIPUNULROYFBNW-LLVKDONJSA-N -1 3 356.455 3.109 20 0 FGADHM CCc1ncsc1C(=O)N(CC)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825754770 607531764 /nfs/dbraw/zinc/53/17/64/607531764.db2.gz HIPUNULROYFBNW-LLVKDONJSA-N -1 3 356.455 3.109 20 0 FGADHM C[C@H]1C[C@H](NC(=O)Nc2ccc(C(=O)[O-])cc2)CN1Cc1ccccc1 ZINC000398173190 601930334 /nfs/dbraw/zinc/93/03/34/601930334.db2.gz IJPHTQMQGHODKO-KSSFIOAISA-N -1 3 353.422 3.169 20 0 FGADHM O=C([O-])[C@H](c1cc(Cl)cc(Cl)c1)N1CCC[C@H](Cn2cncn2)C1 ZINC000833170031 602042902 /nfs/dbraw/zinc/04/29/02/602042902.db2.gz DWJAOZKSMMMOCA-NHYWBVRUSA-N -1 3 369.252 3.123 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)NOCC(C)C)cc1 ZINC000826255298 607553818 /nfs/dbraw/zinc/55/38/18/607553818.db2.gz RVYLRNYYESAYEJ-UHFFFAOYSA-N -1 3 367.409 3.285 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)NOCC(C)C)cc1 ZINC000826255298 607553820 /nfs/dbraw/zinc/55/38/20/607553820.db2.gz RVYLRNYYESAYEJ-UHFFFAOYSA-N -1 3 367.409 3.285 20 0 FGADHM C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(Cc2occc2C(=O)[O-])C1 ZINC000827686448 602244628 /nfs/dbraw/zinc/24/46/28/602244628.db2.gz BHIAPTREZSMDKI-QWHCGFSZSA-N -1 3 352.431 3.103 20 0 FGADHM C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(Cc2ccoc2C(=O)[O-])C1 ZINC000827688278 602245221 /nfs/dbraw/zinc/24/52/21/602245221.db2.gz SYTIBGOIAVZQOS-QWHCGFSZSA-N -1 3 352.431 3.103 20 0 FGADHM CN(C(=O)Nc1cccc(C(=O)[O-])c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000311853739 602309339 /nfs/dbraw/zinc/30/93/39/602309339.db2.gz SYQZXCBONIXKNZ-GOSISDBHSA-N -1 3 353.422 3.123 20 0 FGADHM COc1ccc(CNc2nc(-c3ccccc3)ns2)cc1-c1nnn[n-]1 ZINC000826204478 607560766 /nfs/dbraw/zinc/56/07/66/607560766.db2.gz MRWWAKJMZILYKM-UHFFFAOYSA-N -1 3 365.422 3.006 20 0 FGADHM COc1ccc(CNc2nc(-c3ccccc3)ns2)cc1-c1nn[n-]n1 ZINC000826204478 607560768 /nfs/dbraw/zinc/56/07/68/607560768.db2.gz MRWWAKJMZILYKM-UHFFFAOYSA-N -1 3 365.422 3.006 20 0 FGADHM Cc1ccc([C@@H](CNC(=O)Nc2ccc(C(=O)[O-])c(F)c2)N(C)C)cc1 ZINC000832924027 602384691 /nfs/dbraw/zinc/38/46/91/602384691.db2.gz QHJFSLIFHYMMDM-QGZVFWFLSA-N -1 3 359.401 3.257 20 0 FGADHM Cc1ccc2c(CN3CCC(CN(C)C(=O)[O-])CC3)cc(=O)oc2c1C ZINC000740152385 602387168 /nfs/dbraw/zinc/38/71/68/602387168.db2.gz DDECCADMSAEIDZ-UHFFFAOYSA-N -1 3 358.438 3.232 20 0 FGADHM C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2ccc(F)c(NC(=O)[O-])c2)C1 ZINC000739060689 602486094 /nfs/dbraw/zinc/48/60/94/602486094.db2.gz URSAYIAGEBWDJD-CZUORRHYSA-N -1 3 371.412 3.481 20 0 FGADHM COc1ccc(CNC(=O)c2cc3ccccc3s2)cc1-c1nnn[n-]1 ZINC000826200887 607584878 /nfs/dbraw/zinc/58/48/78/607584878.db2.gz NXNJOUPOVYQXJL-UHFFFAOYSA-N -1 3 365.418 3.020 20 0 FGADHM COc1ccc(CNC(=O)c2cc3ccccc3s2)cc1-c1nn[n-]n1 ZINC000826200887 607584879 /nfs/dbraw/zinc/58/48/79/607584879.db2.gz NXNJOUPOVYQXJL-UHFFFAOYSA-N -1 3 365.418 3.020 20 0 FGADHM CC[C@@H](CC1CCCC1)C(=O)NCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000825113780 607591450 /nfs/dbraw/zinc/59/14/50/607591450.db2.gz GBKSMRCTVPXZCD-HNNXBMFYSA-N -1 3 357.458 3.098 20 0 FGADHM CC[C@@H](CC1CCCC1)C(=O)NCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000825113780 607591452 /nfs/dbraw/zinc/59/14/52/607591452.db2.gz GBKSMRCTVPXZCD-HNNXBMFYSA-N -1 3 357.458 3.098 20 0 FGADHM COc1ccc(COC(=O)C/C=C\c2cccc(F)c2)cc1-c1nnn[n-]1 ZINC000826205241 607611942 /nfs/dbraw/zinc/61/19/42/607611942.db2.gz PMUNVMLKTFWDGC-HYXAFXHYSA-N -1 3 368.368 3.161 20 0 FGADHM COc1ccc(COC(=O)C/C=C\c2cccc(F)c2)cc1-c1nn[n-]n1 ZINC000826205241 607611943 /nfs/dbraw/zinc/61/19/43/607611943.db2.gz PMUNVMLKTFWDGC-HYXAFXHYSA-N -1 3 368.368 3.161 20 0 FGADHM COc1ccc(COC(=O)CCCc2ccc(C)s2)cc1-c1nnn[n-]1 ZINC000826205016 607612182 /nfs/dbraw/zinc/61/21/82/607612182.db2.gz HBZMHLSJYXTDKS-UHFFFAOYSA-N -1 3 372.450 3.311 20 0 FGADHM COc1ccc(COC(=O)CCCc2ccc(C)s2)cc1-c1nn[n-]n1 ZINC000826205016 607612183 /nfs/dbraw/zinc/61/21/83/607612183.db2.gz HBZMHLSJYXTDKS-UHFFFAOYSA-N -1 3 372.450 3.311 20 0 FGADHM CC[C@H](OC1CCCCC1)C(=O)OCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000825154998 607613499 /nfs/dbraw/zinc/61/34/99/607613499.db2.gz XALXSIGOYVCVHG-INIZCTEOSA-N -1 3 374.441 3.046 20 0 FGADHM CC[C@H](OC1CCCCC1)C(=O)OCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000825154998 607613500 /nfs/dbraw/zinc/61/35/00/607613500.db2.gz XALXSIGOYVCVHG-INIZCTEOSA-N -1 3 374.441 3.046 20 0 FGADHM CC(C)C[C@@](C)(CNC(=O)[O-])NC(=O)c1cccc(CN2CCCC2)c1 ZINC000738806138 603228731 /nfs/dbraw/zinc/22/87/31/603228731.db2.gz LYVYZBFDLPACLZ-FQEVSTJZSA-N -1 3 361.486 3.085 20 0 FGADHM CCC(CC)[C@H](CCNC(=O)Nc1cccc(-c2nnn[n-]2)c1C)OC ZINC000825097159 607619975 /nfs/dbraw/zinc/61/99/75/607619975.db2.gz 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ZINC000826293412 607651005 /nfs/dbraw/zinc/65/10/05/607651005.db2.gz OOYIOHVHCQTRFP-UHFFFAOYSA-N -1 3 353.451 3.006 20 0 FGADHM Cc1ccc(SCCNC(=O)c2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000826293412 607651007 /nfs/dbraw/zinc/65/10/07/607651007.db2.gz OOYIOHVHCQTRFP-UHFFFAOYSA-N -1 3 353.451 3.006 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1cccc(OC(F)(F)F)c1 ZINC000826250544 607655170 /nfs/dbraw/zinc/65/51/70/607655170.db2.gz GKKUYFVONQSMBQ-UHFFFAOYSA-N -1 3 363.299 3.326 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1cccc(OC(F)(F)F)c1 ZINC000826250544 607655173 /nfs/dbraw/zinc/65/51/73/607655173.db2.gz GKKUYFVONQSMBQ-UHFFFAOYSA-N -1 3 363.299 3.326 20 0 FGADHM CCCOc1ccc([C@H](C)NC(=O)c2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000825339201 607659582 /nfs/dbraw/zinc/65/95/82/607659582.db2.gz RHSGFUOHLYDDII-AWEZNQCLSA-N -1 3 365.437 3.455 20 0 FGADHM CCCOc1ccc([C@H](C)NC(=O)c2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000825339201 607659585 /nfs/dbraw/zinc/65/95/85/607659585.db2.gz RHSGFUOHLYDDII-AWEZNQCLSA-N -1 3 365.437 3.455 20 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BIVKUMQHXZVIHC-QGZVFWFLSA-N -1 3 365.412 3.162 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1nc2c(s1)CCCCC2 ZINC000826250596 607668580 /nfs/dbraw/zinc/66/85/80/607668580.db2.gz ITCPWZGVKOCMNM-UHFFFAOYSA-N -1 3 354.439 3.153 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1nc2c(s1)CCCCC2 ZINC000826250596 607668581 /nfs/dbraw/zinc/66/85/81/607668581.db2.gz ITCPWZGVKOCMNM-UHFFFAOYSA-N -1 3 354.439 3.153 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@H](c1ccccc1)C(F)(F)F ZINC000826246586 607668884 /nfs/dbraw/zinc/66/88/84/607668884.db2.gz HHAXMPPNCZTBAG-CQSZACIVSA-N -1 3 361.327 3.209 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@H](c1ccccc1)C(F)(F)F ZINC000826246586 607668885 /nfs/dbraw/zinc/66/88/85/607668885.db2.gz HHAXMPPNCZTBAG-CQSZACIVSA-N -1 3 361.327 3.209 20 0 FGADHM O=C(NCc1ccc(Cl)cc1)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826441374 607674282 /nfs/dbraw/zinc/67/42/82/607674282.db2.gz BCFPYDSOFXVWPZ-UHFFFAOYSA-N -1 3 368.828 3.009 20 0 FGADHM O=C(NCc1ccc(Cl)cc1)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826441374 607674284 /nfs/dbraw/zinc/67/42/84/607674284.db2.gz BCFPYDSOFXVWPZ-UHFFFAOYSA-N -1 3 368.828 3.009 20 0 FGADHM C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000828295803 604297695 /nfs/dbraw/zinc/29/76/95/604297695.db2.gz PRRYXAVWORHTQF-HNNXBMFYSA-N -1 3 370.424 3.261 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@@H](c1ccccc1)c1cccnc1 ZINC000826247136 607685263 /nfs/dbraw/zinc/68/52/63/607685263.db2.gz UYLOZWXHEQHXBA-IBGZPJMESA-N -1 3 370.416 3.090 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@@H](c1ccccc1)c1cccnc1 ZINC000826247136 607685265 /nfs/dbraw/zinc/68/52/65/607685265.db2.gz UYLOZWXHEQHXBA-IBGZPJMESA-N -1 3 370.416 3.090 20 0 FGADHM Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000832961680 604378729 /nfs/dbraw/zinc/37/87/29/604378729.db2.gz JIYOTPVDPPSYOL-QFBILLFUSA-N -1 3 368.408 3.280 20 0 FGADHM Cc1cc([C@H](C)N(C)CCN2CCN(c3ccccc3)CC2)oc1C(=O)[O-] ZINC000832871202 604383987 /nfs/dbraw/zinc/38/39/87/604383987.db2.gz RBCUERDOOINWEA-KRWDZBQOSA-N -1 3 371.481 3.101 20 0 FGADHM Cc1ccc(C[C@H]2CCCN2C(=O)c2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000826287298 607689960 /nfs/dbraw/zinc/68/99/60/607689960.db2.gz JUUMUSZYDNPEFV-GOSISDBHSA-N -1 3 361.449 3.331 20 0 FGADHM Cc1ccc(C[C@H]2CCCN2C(=O)c2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000826287298 607689962 /nfs/dbraw/zinc/68/99/62/607689962.db2.gz JUUMUSZYDNPEFV-GOSISDBHSA-N -1 3 361.449 3.331 20 0 FGADHM CN(C(=O)Nc1cc(C(=O)[O-])cs1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000830500488 604490641 /nfs/dbraw/zinc/49/06/41/604490641.db2.gz RJGYNELGZPVPEP-HNNXBMFYSA-N -1 3 359.451 3.185 20 0 FGADHM CC1(C)C[C@H]1C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000824795876 607699512 /nfs/dbraw/zinc/69/95/12/607699512.db2.gz HOQGYCIFYJWLOW-AWEZNQCLSA-N -1 3 350.382 3.039 20 0 FGADHM CCN(CC)C(=O)C1CCN([C@@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC000829648603 604588633 /nfs/dbraw/zinc/58/86/33/604588633.db2.gz QKIODMKEZVFPCQ-MRXNPFEDSA-N -1 3 352.862 3.046 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1cc(C2CCCCC2)[nH]n1 ZINC000826249477 607702610 /nfs/dbraw/zinc/70/26/10/607702610.db2.gz FIFJBXNQNJLFEC-UHFFFAOYSA-N -1 3 351.414 3.198 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1cc(C2CCCCC2)[nH]n1 ZINC000826249477 607702612 /nfs/dbraw/zinc/70/26/12/607702612.db2.gz FIFJBXNQNJLFEC-UHFFFAOYSA-N -1 3 351.414 3.198 20 0 FGADHM Cc1nn(C)c(Oc2ccccc2)c1CN1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000833756319 604650100 /nfs/dbraw/zinc/65/01/00/604650100.db2.gz IVIMNNZASVZNAU-QGZVFWFLSA-N -1 3 355.438 3.208 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccc(F)cc1NC1CC1 ZINC000826249978 607706168 /nfs/dbraw/zinc/70/61/68/607706168.db2.gz DJWJSNIQZRQMNN-UHFFFAOYSA-N -1 3 352.373 3.141 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccc(F)cc1NC1CC1 ZINC000826249978 607706169 /nfs/dbraw/zinc/70/61/69/607706169.db2.gz DJWJSNIQZRQMNN-UHFFFAOYSA-N -1 3 352.373 3.141 20 0 FGADHM C[C@H](CC(=O)OCc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1F ZINC000824385668 607723027 /nfs/dbraw/zinc/72/30/27/607723027.db2.gz YVBZLYMWARAWEB-LLVKDONJSA-N -1 3 358.348 3.382 20 0 FGADHM C[C@H](CC(=O)OCc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1F ZINC000824385668 607723029 /nfs/dbraw/zinc/72/30/29/607723029.db2.gz YVBZLYMWARAWEB-LLVKDONJSA-N -1 3 358.348 3.382 20 0 FGADHM CC(C)(C(=O)[O-])[C@H]1CCCN(CC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000833420897 604950741 /nfs/dbraw/zinc/95/07/41/604950741.db2.gz BLZGPAHQQVOXEA-ZDUSSCGKSA-N -1 3 372.387 3.467 20 0 FGADHM C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1Cc1ccc(F)cc1C(=O)[O-] ZINC000833599390 604972790 /nfs/dbraw/zinc/97/27/90/604972790.db2.gz DTUHJQUFPSENQB-IUODEOHRSA-N -1 3 366.433 3.402 20 0 FGADHM CC(C)N(CCN(C)C)C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000833498559 605097655 /nfs/dbraw/zinc/09/76/55/605097655.db2.gz TXJFHUFIDPCZFH-UHFFFAOYSA-N -1 3 373.453 3.107 20 0 FGADHM CCc1ccc(CNC(=O)CN[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])s1 ZINC000833669920 605179542 /nfs/dbraw/zinc/17/95/42/605179542.db2.gz IGKRRFYBZGHIQT-SFHVURJKSA-N -1 3 374.506 3.368 20 0 FGADHM O=C([O-])N[C@@H]1CCC[C@@H]2CN(Cc3ccc(Oc4ccccc4)nn3)C[C@@H]21 ZINC000834181466 605444712 /nfs/dbraw/zinc/44/47/12/605444712.db2.gz MIEGBVGXVQCZBA-FHLIZLRMSA-N -1 3 368.437 3.137 20 0 FGADHM O=C([O-])Nc1ccc(CN2CCCN(Cc3ccc(F)cc3)CC2)cn1 ZINC000834260105 605466767 /nfs/dbraw/zinc/46/67/67/605466767.db2.gz LJSNKENSGZEQLP-UHFFFAOYSA-N -1 3 358.417 3.019 20 0 FGADHM CCOC(=O)Nc1ccc(NC(=O)C2CCCCCC2)cc1-c1nnn[n-]1 ZINC000825532807 607759482 /nfs/dbraw/zinc/75/94/82/607759482.db2.gz WRPYOPPJFXYUNO-UHFFFAOYSA-N -1 3 372.429 3.344 20 0 FGADHM CCOC(=O)Nc1ccc(NC(=O)C2CCCCCC2)cc1-c1nn[n-]n1 ZINC000825532807 607759483 /nfs/dbraw/zinc/75/94/83/607759483.db2.gz WRPYOPPJFXYUNO-UHFFFAOYSA-N -1 3 372.429 3.344 20 0 FGADHM CCOC(=O)Nc1ccc(NC(=O)C[C@H]2CC[C@H](C)C2)cc1-c1nnn[n-]1 ZINC000825532272 607761756 /nfs/dbraw/zinc/76/17/56/607761756.db2.gz QOPMYWRCXVMBNY-RYUDHWBXSA-N -1 3 372.429 3.200 20 0 FGADHM CCOC(=O)Nc1ccc(NC(=O)C[C@H]2CC[C@H](C)C2)cc1-c1nn[n-]n1 ZINC000825532272 607761757 /nfs/dbraw/zinc/76/17/57/607761757.db2.gz QOPMYWRCXVMBNY-RYUDHWBXSA-N -1 3 372.429 3.200 20 0 FGADHM CCc1ccc(NC(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)cc1F ZINC000825711537 607768811 /nfs/dbraw/zinc/76/88/11/607768811.db2.gz FEIGRFJVMYOPPK-UHFFFAOYSA-N -1 3 354.389 3.232 20 0 FGADHM CCc1ccc(NC(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)cc1F ZINC000825711537 607768812 /nfs/dbraw/zinc/76/88/12/607768812.db2.gz FEIGRFJVMYOPPK-UHFFFAOYSA-N -1 3 354.389 3.232 20 0 FGADHM C[C@@H](C(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)c1ccco1 ZINC000824051716 607770146 /nfs/dbraw/zinc/77/01/46/607770146.db2.gz CMNAFLAZXLDXCS-SNVBAGLBSA-N -1 3 366.406 3.325 20 0 FGADHM C[C@@H](C(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)c1ccco1 ZINC000824051716 607770147 /nfs/dbraw/zinc/77/01/47/607770147.db2.gz CMNAFLAZXLDXCS-SNVBAGLBSA-N -1 3 366.406 3.325 20 0 FGADHM C[C@@H](C(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)C(F)(F)F ZINC000824046834 607770176 /nfs/dbraw/zinc/77/01/76/607770176.db2.gz VYXWEUPQBFCUJZ-ZETCQYMHSA-N -1 3 368.344 3.127 20 0 FGADHM C[C@H](CC(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)C1CC1 ZINC000824384515 607770221 /nfs/dbraw/zinc/77/02/21/607770221.db2.gz CSCSDIJUTOLGAH-SNVBAGLBSA-N -1 3 354.439 3.365 20 0 FGADHM C[C@H](CC(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)C1CC1 ZINC000824384515 607770222 /nfs/dbraw/zinc/77/02/22/607770222.db2.gz CSCSDIJUTOLGAH-SNVBAGLBSA-N -1 3 354.439 3.365 20 0 FGADHM CSCCCC(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000826228293 607770569 /nfs/dbraw/zinc/77/05/69/607770569.db2.gz KYPCKOMWWKXQSU-UHFFFAOYSA-N -1 3 360.468 3.072 20 0 FGADHM CSCCCC(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826228293 607770570 /nfs/dbraw/zinc/77/05/70/607770570.db2.gz KYPCKOMWWKXQSU-UHFFFAOYSA-N -1 3 360.468 3.072 20 0 FGADHM Cc1cc(C(=O)N2C[C@@H](CN(C)C)Oc3ccccc32)ccc1NC(=O)[O-] ZINC000829919461 605713356 /nfs/dbraw/zinc/71/33/56/605713356.db2.gz LAFNHJRXULOWRA-OAHLLOKOSA-N -1 3 369.421 3.054 20 0 FGADHM O=C([O-])N1CCC(CN2C[C@H](O)C[C@H]2c2cccc(C(F)(F)F)c2)CC1 ZINC000834075808 605879475 /nfs/dbraw/zinc/87/94/75/605879475.db2.gz UFNXUWWAJFMZEE-CVEARBPZSA-N -1 3 372.387 3.203 20 0 FGADHM O=C([O-])N[C@@H]1C[C@H](NCc2ccc(N3CCOC3=O)cc2)c2ccccc21 ZINC000834158710 606053135 /nfs/dbraw/zinc/05/31/35/606053135.db2.gz OXRURHNODRADBH-ZWKOTPCHSA-N -1 3 367.405 3.187 20 0 FGADHM CCCO[C@@H]1CCCN(c2nc3ccccc3cc2-c2nnn[n-]2)CC1 ZINC000821128001 606076364 /nfs/dbraw/zinc/07/63/64/606076364.db2.gz OLYINVOJOWVZKO-OAHLLOKOSA-N -1 3 352.442 3.200 20 0 FGADHM CCCO[C@@H]1CCCN(c2nc3ccccc3cc2-c2nn[n-]n2)CC1 ZINC000821128001 606076371 /nfs/dbraw/zinc/07/63/71/606076371.db2.gz OLYINVOJOWVZKO-OAHLLOKOSA-N -1 3 352.442 3.200 20 0 FGADHM Cc1ccc(CCC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(C)C)o1 ZINC000822234706 606103300 /nfs/dbraw/zinc/10/33/00/606103300.db2.gz FBCQWOMHCHYUGM-UHFFFAOYSA-N -1 3 355.398 3.127 20 0 FGADHM Cc1ccc(CCC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(C)C)o1 ZINC000822234706 606103302 /nfs/dbraw/zinc/10/33/02/606103302.db2.gz FBCQWOMHCHYUGM-UHFFFAOYSA-N -1 3 355.398 3.127 20 0 FGADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)N1C[C@@H]2CCCC[C@H]2C1 ZINC000822955318 606120261 /nfs/dbraw/zinc/12/02/61/606120261.db2.gz PRUSNNXBEMUNSF-IRXDYDNUSA-N -1 3 369.469 3.064 20 0 FGADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)N1C[C@@H]2CCCC[C@H]2C1 ZINC000822955318 606120264 /nfs/dbraw/zinc/12/02/64/606120264.db2.gz PRUSNNXBEMUNSF-IRXDYDNUSA-N -1 3 369.469 3.064 20 0 FGADHM COc1csc(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)CC(C)C)c1 ZINC000821910567 606122644 /nfs/dbraw/zinc/12/26/44/606122644.db2.gz CYTMJWKYQZKNOM-UHFFFAOYSA-N -1 3 371.466 3.235 20 0 FGADHM COc1csc(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)CC(C)C)c1 ZINC000821910567 606122645 /nfs/dbraw/zinc/12/26/45/606122645.db2.gz CYTMJWKYQZKNOM-UHFFFAOYSA-N -1 3 371.466 3.235 20 0 FGADHM OCC[C@H](Nc1cc(-c2nnn[n-]2)c2ccccc2n1)C1CCCCC1 ZINC000823713018 606125418 /nfs/dbraw/zinc/12/54/18/606125418.db2.gz BLDWHBZHHWJWTL-INIZCTEOSA-N -1 3 352.442 3.158 20 0 FGADHM OCC[C@H](Nc1cc(-c2nn[n-]n2)c2ccccc2n1)C1CCCCC1 ZINC000823713018 606125420 /nfs/dbraw/zinc/12/54/20/606125420.db2.gz BLDWHBZHHWJWTL-INIZCTEOSA-N -1 3 352.442 3.158 20 0 FGADHM Nc1cc(Cl)c(Cl)c(C(=O)OCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822907210 606131481 /nfs/dbraw/zinc/13/14/81/606131481.db2.gz BCBOFHCOWVBVJE-UHFFFAOYSA-N -1 3 364.192 3.113 20 0 FGADHM Nc1cc(Cl)c(Cl)c(C(=O)OCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822907210 606131482 /nfs/dbraw/zinc/13/14/82/606131482.db2.gz BCBOFHCOWVBVJE-UHFFFAOYSA-N -1 3 364.192 3.113 20 0 FGADHM CC[C@H](C)Oc1ccc(NCc2cnc3ccc(-c4nnn[n-]4)cn23)cc1 ZINC000820876667 606131976 /nfs/dbraw/zinc/13/19/76/606131976.db2.gz RJNZOAGTSOYPGD-ZDUSSCGKSA-N -1 3 363.425 3.304 20 0 FGADHM CC[C@H](C)Oc1ccc(NCc2cnc3ccc(-c4nn[n-]n4)cn23)cc1 ZINC000820876667 606131978 /nfs/dbraw/zinc/13/19/78/606131978.db2.gz RJNZOAGTSOYPGD-ZDUSSCGKSA-N -1 3 363.425 3.304 20 0 FGADHM C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000820561886 606149222 /nfs/dbraw/zinc/14/92/22/606149222.db2.gz BIOKLHBJDCEPOZ-RYUDHWBXSA-N -1 3 370.844 3.179 20 0 FGADHM C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000820561886 606149224 /nfs/dbraw/zinc/14/92/24/606149224.db2.gz BIOKLHBJDCEPOZ-RYUDHWBXSA-N -1 3 370.844 3.179 20 0 FGADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C/C=C/c1ccc(F)cc1 ZINC000821612176 606151115 /nfs/dbraw/zinc/15/11/15/606151115.db2.gz LXTHRUFGYWWCPQ-ONEGZZNKSA-N -1 3 351.385 3.068 20 0 FGADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C/C=C/c1ccc(F)cc1 ZINC000821612176 606151116 /nfs/dbraw/zinc/15/11/16/606151116.db2.gz LXTHRUFGYWWCPQ-ONEGZZNKSA-N -1 3 351.385 3.068 20 0 FGADHM CO[C@@H](C)c1nc(CN(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)cs1 ZINC000821675602 606159876 /nfs/dbraw/zinc/15/98/76/606159876.db2.gz PCUYNCHCUXEOTR-LBPRGKRZSA-N -1 3 370.482 3.195 20 0 FGADHM CO[C@@H](C)c1nc(CN(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)cs1 ZINC000821675602 606159878 /nfs/dbraw/zinc/15/98/78/606159878.db2.gz PCUYNCHCUXEOTR-LBPRGKRZSA-N -1 3 370.482 3.195 20 0 FGADHM C[C@H](OC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ncc(C(C)(C)C)o1 ZINC000820488410 606167629 /nfs/dbraw/zinc/16/76/29/606167629.db2.gz NTVJOBZSFXXONZ-PRDAAYKISA-N -1 3 367.409 3.470 20 0 FGADHM C[C@H](OC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ncc(C(C)(C)C)o1 ZINC000820488410 606167630 /nfs/dbraw/zinc/16/76/30/606167630.db2.gz NTVJOBZSFXXONZ-PRDAAYKISA-N -1 3 367.409 3.470 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)ccc1OCc1csc([C@@H](C)OC)n1 ZINC000821394445 606170621 /nfs/dbraw/zinc/17/06/21/606170621.db2.gz KAVSQUPSPOKNQJ-SNVBAGLBSA-N -1 3 361.427 3.008 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)ccc1OCc1csc([C@@H](C)OC)n1 ZINC000821394445 606170622 /nfs/dbraw/zinc/17/06/22/606170622.db2.gz KAVSQUPSPOKNQJ-SNVBAGLBSA-N -1 3 361.427 3.008 20 0 FGADHM O[C@@H](CNc1ccc(C(F)(F)F)cc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000823690641 606174988 /nfs/dbraw/zinc/17/49/88/606174988.db2.gz QLVLAZOAVQXUFR-AWEZNQCLSA-N -1 3 367.306 3.170 20 0 FGADHM O[C@@H](CNc1ccc(C(F)(F)F)cc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000823690641 606174989 /nfs/dbraw/zinc/17/49/89/606174989.db2.gz QLVLAZOAVQXUFR-AWEZNQCLSA-N -1 3 367.306 3.170 20 0 FGADHM FC(F)(F)c1ccc(N2CCN(c3ccccc3)CC2)c(-c2nnn[n-]2)c1 ZINC000822723976 606175117 /nfs/dbraw/zinc/17/51/17/606175117.db2.gz VFSILCGMRYSZIY-UHFFFAOYSA-N -1 3 374.370 3.212 20 0 FGADHM FC(F)(F)c1ccc(N2CCN(c3ccccc3)CC2)c(-c2nn[n-]n2)c1 ZINC000822723976 606175119 /nfs/dbraw/zinc/17/51/19/606175119.db2.gz VFSILCGMRYSZIY-UHFFFAOYSA-N -1 3 374.370 3.212 20 0 FGADHM O=C1CCCc2c(OCc3cn4ccccc4c3-c3nnn[n-]3)cccc21 ZINC000823531158 606177796 /nfs/dbraw/zinc/17/77/96/606177796.db2.gz ZIRXNOBVNUCYQB-UHFFFAOYSA-N -1 3 359.389 3.217 20 0 FGADHM O=C1CCCc2c(OCc3cn4ccccc4c3-c3nn[n-]n3)cccc21 ZINC000823531158 606177798 /nfs/dbraw/zinc/17/77/98/606177798.db2.gz ZIRXNOBVNUCYQB-UHFFFAOYSA-N -1 3 359.389 3.217 20 0 FGADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000822655429 606208009 /nfs/dbraw/zinc/20/80/09/606208009.db2.gz IJBMJMPRTGQZPE-UHFFFAOYSA-N -1 3 360.377 3.250 20 0 FGADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000822655429 606208011 /nfs/dbraw/zinc/20/80/11/606208011.db2.gz IJBMJMPRTGQZPE-UHFFFAOYSA-N -1 3 360.377 3.250 20 0 FGADHM c1csc([C@H](NCc2cc(-c3nnn[n-]3)cs2)c2ccccc2)n1 ZINC000823774075 606216380 /nfs/dbraw/zinc/21/63/80/606216380.db2.gz YXECXOYGHACCLK-CQSZACIVSA-N -1 3 354.464 3.264 20 0 FGADHM c1csc([C@H](NCc2cc(-c3nn[n-]n3)cs2)c2ccccc2)n1 ZINC000823774075 606216381 /nfs/dbraw/zinc/21/63/81/606216381.db2.gz YXECXOYGHACCLK-CQSZACIVSA-N -1 3 354.464 3.264 20 0 FGADHM Fc1cc(-c2nnn[n-]2)ccc1CNc1nc(-c2ccccc2)ns1 ZINC000822744439 606223442 /nfs/dbraw/zinc/22/34/42/606223442.db2.gz TWBALTYZBJIZEM-UHFFFAOYSA-N -1 3 353.386 3.136 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1CNc1nc(-c2ccccc2)ns1 ZINC000822744439 606223443 /nfs/dbraw/zinc/22/34/43/606223443.db2.gz TWBALTYZBJIZEM-UHFFFAOYSA-N -1 3 353.386 3.136 20 0 FGADHM O=C(Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1)[C@H]1C[C@H]1C1CC1 ZINC000823355506 606227096 /nfs/dbraw/zinc/22/70/96/606227096.db2.gz DNRAFGBEDJXCDU-HOTGVXAUSA-N -1 3 362.393 3.039 20 0 FGADHM O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1)[C@H]1C[C@H]1C1CC1 ZINC000823355506 606227097 /nfs/dbraw/zinc/22/70/97/606227097.db2.gz DNRAFGBEDJXCDU-HOTGVXAUSA-N -1 3 362.393 3.039 20 0 FGADHM O[C@H](C[C@@H]1CCCCCN1c1ncccc1-c1nnn[n-]1)c1ccccc1 ZINC000823672372 606241477 /nfs/dbraw/zinc/24/14/77/606241477.db2.gz DGIOPJBSTABDED-FUHWJXTLSA-N -1 3 364.453 3.134 20 0 FGADHM O[C@H](C[C@@H]1CCCCCN1c1ncccc1-c1nn[n-]n1)c1ccccc1 ZINC000823672372 606241479 /nfs/dbraw/zinc/24/14/79/606241479.db2.gz DGIOPJBSTABDED-FUHWJXTLSA-N -1 3 364.453 3.134 20 0 FGADHM CCc1ccc([C@@H]2CCCCCN2C(=O)c2cc(-c3nnn[n-]3)cn2C)o1 ZINC000821481014 606256191 /nfs/dbraw/zinc/25/61/91/606256191.db2.gz HITGRLXWYBLIOC-HNNXBMFYSA-N -1 3 368.441 3.118 20 0 FGADHM CCc1ccc([C@@H]2CCCCCN2C(=O)c2cc(-c3nn[n-]n3)cn2C)o1 ZINC000821481014 606256192 /nfs/dbraw/zinc/25/61/92/606256192.db2.gz HITGRLXWYBLIOC-HNNXBMFYSA-N -1 3 368.441 3.118 20 0 FGADHM CC(C)COc1ccc(CC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000820103192 606264719 /nfs/dbraw/zinc/26/47/19/606264719.db2.gz PBJBGDKBDRRJGM-UHFFFAOYSA-N -1 3 369.400 3.222 20 0 FGADHM CC(C)COc1ccc(CC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000820103192 606264721 /nfs/dbraw/zinc/26/47/21/606264721.db2.gz PBJBGDKBDRRJGM-UHFFFAOYSA-N -1 3 369.400 3.222 20 0 FGADHM CN(Cc1ccccc1-c1ccccc1)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000821614832 606266653 /nfs/dbraw/zinc/26/66/53/606266653.db2.gz WLPFIXOGUITUIA-UHFFFAOYSA-N -1 3 358.405 3.134 20 0 FGADHM CN(Cc1ccccc1-c1ccccc1)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000821614832 606266655 /nfs/dbraw/zinc/26/66/55/606266655.db2.gz WLPFIXOGUITUIA-UHFFFAOYSA-N -1 3 358.405 3.134 20 0 FGADHM CC(C)(C)c1ccccc1OCC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000819959026 606271218 /nfs/dbraw/zinc/27/12/18/606271218.db2.gz VLQIBOKCEDZSQQ-UHFFFAOYSA-N -1 3 369.400 3.321 20 0 FGADHM CC(C)(C)c1ccccc1OCC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000819959026 606271220 /nfs/dbraw/zinc/27/12/20/606271220.db2.gz VLQIBOKCEDZSQQ-UHFFFAOYSA-N -1 3 369.400 3.321 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)c1ccc2[nH]c(C(F)F)nc2c1 ZINC000823346323 606272179 /nfs/dbraw/zinc/27/21/79/606272179.db2.gz LLIVIXZCIZPHCX-UHFFFAOYSA-N -1 3 373.298 3.072 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)c1ccc2[nH]c(C(F)F)nc2c1 ZINC000823346323 606272180 /nfs/dbraw/zinc/27/21/80/606272180.db2.gz LLIVIXZCIZPHCX-UHFFFAOYSA-N -1 3 373.298 3.072 20 0 FGADHM CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820939252 606272995 /nfs/dbraw/zinc/27/29/95/606272995.db2.gz RSORXPCMFOGVFU-INIZCTEOSA-N -1 3 355.373 3.110 20 0 FGADHM CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820939252 606272997 /nfs/dbraw/zinc/27/29/97/606272997.db2.gz RSORXPCMFOGVFU-INIZCTEOSA-N -1 3 355.373 3.110 20 0 FGADHM COC(=O)[C@@H](Nc1ccc(C(C)(C)C)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000821644689 606297227 /nfs/dbraw/zinc/29/72/27/606297227.db2.gz GNONMGQSDCFWIR-KRWDZBQOSA-N -1 3 365.437 3.490 20 0 FGADHM COC(=O)[C@@H](Nc1ccc(C(C)(C)C)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000821644689 606297229 /nfs/dbraw/zinc/29/72/29/606297229.db2.gz GNONMGQSDCFWIR-KRWDZBQOSA-N -1 3 365.437 3.490 20 0 FGADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N(Cc1ccccc1F)C1CCCCC1 ZINC000823460053 606321053 /nfs/dbraw/zinc/32/10/53/606321053.db2.gz GWADFEKYDXYMRH-UHFFFAOYSA-N -1 3 368.416 3.309 20 0 FGADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N(Cc1ccccc1F)C1CCCCC1 ZINC000823460053 606321056 /nfs/dbraw/zinc/32/10/56/606321056.db2.gz GWADFEKYDXYMRH-UHFFFAOYSA-N -1 3 368.416 3.309 20 0 FGADHM C[C@@H](NC(=O)[C@H](C)Sc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC000820555069 606326727 /nfs/dbraw/zinc/32/67/27/606326727.db2.gz FTPLCXISFPXOSU-NEPJUHHUSA-N -1 3 371.441 3.364 20 0 FGADHM C[C@@H](NC(=O)[C@H](C)Sc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC000820555069 606326728 /nfs/dbraw/zinc/32/67/28/606326728.db2.gz FTPLCXISFPXOSU-NEPJUHHUSA-N -1 3 371.441 3.364 20 0 FGADHM CCOc1ccc(C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1OC ZINC000821417831 606341308 /nfs/dbraw/zinc/34/13/08/606341308.db2.gz TWMPUUAOQMCKBM-LBPRGKRZSA-N -1 3 368.393 3.192 20 0 FGADHM CCOc1ccc(C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1OC ZINC000821417831 606341310 /nfs/dbraw/zinc/34/13/10/606341310.db2.gz TWMPUUAOQMCKBM-LBPRGKRZSA-N -1 3 368.393 3.192 20 0 FGADHM COc1ccc(SCC(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821846735 606341698 /nfs/dbraw/zinc/34/16/98/606341698.db2.gz ZBBYSLMXKZJOID-LBPRGKRZSA-N -1 3 370.434 3.272 20 0 FGADHM COc1ccc(SCC(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821846735 606341700 /nfs/dbraw/zinc/34/17/00/606341700.db2.gz ZBBYSLMXKZJOID-LBPRGKRZSA-N -1 3 370.434 3.272 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N1[C@H](C)C[C@H]2CCCC[C@H]21 ZINC000821407945 606344636 /nfs/dbraw/zinc/34/46/36/606344636.db2.gz YJHDKXROVNVQKU-XJKCOSOUSA-N -1 3 370.457 3.450 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N1[C@H](C)C[C@H]2CCCC[C@H]21 ZINC000821407945 606344637 /nfs/dbraw/zinc/34/46/37/606344637.db2.gz YJHDKXROVNVQKU-XJKCOSOUSA-N -1 3 370.457 3.450 20 0 FGADHM Cc1cccc(OCCC(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822328703 606345167 /nfs/dbraw/zinc/34/51/67/606345167.db2.gz ROBHDORIYXKYDM-CQSZACIVSA-N -1 3 352.394 3.248 20 0 FGADHM Cc1cccc(OCCC(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822328703 606345169 /nfs/dbraw/zinc/34/51/69/606345169.db2.gz ROBHDORIYXKYDM-CQSZACIVSA-N -1 3 352.394 3.248 20 0 FGADHM Cc1cc(C)cc(OCC(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822197504 606345402 /nfs/dbraw/zinc/34/54/02/606345402.db2.gz DCINDYMIGCFMNK-CQSZACIVSA-N -1 3 352.394 3.167 20 0 FGADHM Cc1cc(C)cc(OCC(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822197504 606345404 /nfs/dbraw/zinc/34/54/04/606345404.db2.gz DCINDYMIGCFMNK-CQSZACIVSA-N -1 3 352.394 3.167 20 0 FGADHM CCS[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000821453957 606349144 /nfs/dbraw/zinc/34/91/44/606349144.db2.gz BWWUTEGWKMJBRS-KBPBESRZSA-N -1 3 364.450 3.192 20 0 FGADHM CCS[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000821453957 606349146 /nfs/dbraw/zinc/34/91/46/606349146.db2.gz BWWUTEGWKMJBRS-KBPBESRZSA-N -1 3 364.450 3.192 20 0 FGADHM C[C@@H](OC(=O)c1ncoc1-c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820518628 606351311 /nfs/dbraw/zinc/35/13/11/606351311.db2.gz HYULUMXOVKSDGZ-GFCCVEGCSA-N -1 3 361.361 3.440 20 0 FGADHM C[C@@H](OC(=O)c1ncoc1-c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820518628 606351313 /nfs/dbraw/zinc/35/13/13/606351313.db2.gz HYULUMXOVKSDGZ-GFCCVEGCSA-N -1 3 361.361 3.440 20 0 FGADHM Cc1cnc([C@H](NC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)C2CC2)s1 ZINC000822389270 606351352 /nfs/dbraw/zinc/35/13/52/606351352.db2.gz QNSBTPVQNFUOIT-CYBMUJFWSA-N -1 3 373.417 3.044 20 0 FGADHM Cc1cnc([C@H](NC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C2CC2)s1 ZINC000822389270 606351354 /nfs/dbraw/zinc/35/13/54/606351354.db2.gz QNSBTPVQNFUOIT-CYBMUJFWSA-N -1 3 373.417 3.044 20 0 FGADHM C[C@@H](OC(=O)c1cccc(N2CC=CC2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820512459 606351390 /nfs/dbraw/zinc/35/13/90/606351390.db2.gz KUUPPFVSOWMXBH-CQSZACIVSA-N -1 3 361.405 3.161 20 0 FGADHM C[C@@H](OC(=O)c1cccc(N2CC=CC2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820512459 606351392 /nfs/dbraw/zinc/35/13/92/606351392.db2.gz KUUPPFVSOWMXBH-CQSZACIVSA-N -1 3 361.405 3.161 20 0 FGADHM C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820643747 606352263 /nfs/dbraw/zinc/35/22/63/606352263.db2.gz YRMFYVGFSLUCAE-DOMZBBRYSA-N -1 3 366.400 3.416 20 0 FGADHM C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820643747 606352264 /nfs/dbraw/zinc/35/22/64/606352264.db2.gz YRMFYVGFSLUCAE-DOMZBBRYSA-N -1 3 366.400 3.416 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)NC1(c2cccc(Cl)c2)CC1 ZINC000823344344 606355260 /nfs/dbraw/zinc/35/52/60/606355260.db2.gz VWMHSKOKMKBKIV-UHFFFAOYSA-N -1 3 372.791 3.470 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)NC1(c2cccc(Cl)c2)CC1 ZINC000823344344 606355262 /nfs/dbraw/zinc/35/52/62/606355262.db2.gz VWMHSKOKMKBKIV-UHFFFAOYSA-N -1 3 372.791 3.470 20 0 FGADHM O=C(NCCc1ccccc1Cl)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000823223529 606358501 /nfs/dbraw/zinc/35/85/01/606358501.db2.gz BNLQGAZITHQUTK-UHFFFAOYSA-N -1 3 360.780 3.023 20 0 FGADHM O=C(NCCc1ccccc1Cl)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000823223529 606358502 /nfs/dbraw/zinc/35/85/02/606358502.db2.gz BNLQGAZITHQUTK-UHFFFAOYSA-N -1 3 360.780 3.023 20 0 FGADHM C[C@@H](OC(=O)c1nc(Cl)ccc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000820518824 606358497 /nfs/dbraw/zinc/35/84/97/606358497.db2.gz LNUFUPMFQGXNEF-MRVPVSSYSA-N -1 3 364.192 3.487 20 0 FGADHM C[C@@H](OC(=O)c1nc(Cl)ccc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000820518824 606358499 /nfs/dbraw/zinc/35/84/99/606358499.db2.gz LNUFUPMFQGXNEF-MRVPVSSYSA-N -1 3 364.192 3.487 20 0 FGADHM O=C(NCCc1cc2ccccc2o1)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000823219793 606360370 /nfs/dbraw/zinc/36/03/70/606360370.db2.gz QTTMNAQPTMXLIW-UHFFFAOYSA-N -1 3 366.356 3.116 20 0 FGADHM O=C(NCCc1cc2ccccc2o1)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000823219793 606360371 /nfs/dbraw/zinc/36/03/71/606360371.db2.gz QTTMNAQPTMXLIW-UHFFFAOYSA-N -1 3 366.356 3.116 20 0 FGADHM CC[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)cc1)Oc1ccccc1Cl ZINC000820909366 606367355 /nfs/dbraw/zinc/36/73/55/606367355.db2.gz VAYBJMKEUZDLGO-CQSZACIVSA-N -1 3 371.828 3.108 20 0 FGADHM CC[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)cc1)Oc1ccccc1Cl ZINC000820909366 606367357 /nfs/dbraw/zinc/36/73/57/606367357.db2.gz VAYBJMKEUZDLGO-CQSZACIVSA-N -1 3 371.828 3.108 20 0 FGADHM CC[C@H]1CCc2ccccc2N1C(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000820989601 606373779 /nfs/dbraw/zinc/37/37/79/606373779.db2.gz XDCIIVYUUKHSJD-INIZCTEOSA-N -1 3 363.421 3.004 20 0 FGADHM C[C@@H](OC(=O)c1cc(-c2nnn[n-]2)cn1C)c1ccc(Cl)c(Cl)c1 ZINC000820508528 606382742 /nfs/dbraw/zinc/38/27/42/606382742.db2.gz QTVDPHFULHUOSG-MRVPVSSYSA-N -1 3 366.208 3.430 20 0 FGADHM C[C@@H](OC(=O)c1cc(-c2nn[n-]n2)cn1C)c1ccc(Cl)c(Cl)c1 ZINC000820508528 606382743 /nfs/dbraw/zinc/38/27/43/606382743.db2.gz QTVDPHFULHUOSG-MRVPVSSYSA-N -1 3 366.208 3.430 20 0 FGADHM CN(C(=O)Cc1c[nH]c2ccccc12)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821570601 606412660 /nfs/dbraw/zinc/41/26/60/606412660.db2.gz CIQDTKOHNKOTTJ-UHFFFAOYSA-N -1 3 366.812 3.207 20 0 FGADHM CN(C(=O)Cc1c[nH]c2ccccc12)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821570601 606412661 /nfs/dbraw/zinc/41/26/61/606412661.db2.gz CIQDTKOHNKOTTJ-UHFFFAOYSA-N -1 3 366.812 3.207 20 0 FGADHM c1cc(-c2nnn[n-]2)sc1CNc1cccc(OC[C@@H]2CCCO2)c1 ZINC000823757604 606421091 /nfs/dbraw/zinc/42/10/91/606421091.db2.gz RZVAJUUJPNKOAO-AWEZNQCLSA-N -1 3 357.439 3.098 20 0 FGADHM COc1cc(OC)c(NCc2cc(-c3nnn[n-]3)ccc2F)cc1Cl ZINC000821723859 606439794 /nfs/dbraw/zinc/43/97/94/606439794.db2.gz KNJKBVKANIYFNP-UHFFFAOYSA-N -1 3 363.780 3.289 20 0 FGADHM COc1cc(OC)c(NCc2cc(-c3nn[n-]n3)ccc2F)cc1Cl ZINC000821723859 606439795 /nfs/dbraw/zinc/43/97/95/606439795.db2.gz KNJKBVKANIYFNP-UHFFFAOYSA-N -1 3 363.780 3.289 20 0 FGADHM O=C(OCCc1ccc(C(F)(F)F)cc1)c1cc(-c2nnn[n-]2)cs1 ZINC000823409739 606467461 /nfs/dbraw/zinc/46/74/61/606467461.db2.gz LMCYVIUBOVYUPK-UHFFFAOYSA-N -1 3 368.340 3.347 20 0 FGADHM O=C(OCCc1ccc(C(F)(F)F)cc1)c1cc(-c2nn[n-]n2)cs1 ZINC000823409739 606467463 /nfs/dbraw/zinc/46/74/63/606467463.db2.gz LMCYVIUBOVYUPK-UHFFFAOYSA-N -1 3 368.340 3.347 20 0 FGADHM CC(C)[C@@H]1OCC[C@@H]1CNc1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21 ZINC000820043921 606473232 /nfs/dbraw/zinc/47/32/32/606473232.db2.gz CONZPQUEMJPUGK-QGHHPUGFSA-N -1 3 374.395 3.166 20 0 FGADHM CC(C)[C@@H]1OCC[C@@H]1CNc1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21 ZINC000820043921 606473234 /nfs/dbraw/zinc/47/32/34/606473234.db2.gz CONZPQUEMJPUGK-QGHHPUGFSA-N -1 3 374.395 3.166 20 0 FGADHM Cc1ccc(C)c2sc(NC(=O)c3cc(-c4nnn[n-]4)cs3)nc21 ZINC000822231694 606483697 /nfs/dbraw/zinc/48/36/97/606483697.db2.gz DEIJMLRVXLGJLW-UHFFFAOYSA-N -1 3 356.436 3.407 20 0 FGADHM Cc1ccc(C)c2sc(NC(=O)c3cc(-c4nn[n-]n4)cs3)nc21 ZINC000822231694 606483698 /nfs/dbraw/zinc/48/36/98/606483698.db2.gz DEIJMLRVXLGJLW-UHFFFAOYSA-N -1 3 356.436 3.407 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1ccc(-c2nccs2)cc1 ZINC000823103527 606493965 /nfs/dbraw/zinc/49/39/65/606493965.db2.gz IDAFSSPMIRYUFD-UHFFFAOYSA-N -1 3 362.418 3.171 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1ccc(-c2nccs2)cc1 ZINC000823103527 606493966 /nfs/dbraw/zinc/49/39/66/606493966.db2.gz IDAFSSPMIRYUFD-UHFFFAOYSA-N -1 3 362.418 3.171 20 0 FGADHM CCCCOc1cccc(CNC(=O)c2cc(-c3nnn[n-]3)cs2)c1 ZINC000821077479 606494464 /nfs/dbraw/zinc/49/44/64/606494464.db2.gz HLIPTANLPZMWLM-UHFFFAOYSA-N -1 3 357.439 3.037 20 0 FGADHM CCCCOc1cccc(CNC(=O)c2cc(-c3nn[n-]n3)cs2)c1 ZINC000821077479 606494465 /nfs/dbraw/zinc/49/44/65/606494465.db2.gz HLIPTANLPZMWLM-UHFFFAOYSA-N -1 3 357.439 3.037 20 0 FGADHM O=C(c1cc(-c2nnn[n-]2)cs1)N1CCCC[C@@H]1Cc1ccccc1 ZINC000823472443 606501327 /nfs/dbraw/zinc/50/13/27/606501327.db2.gz MPCIBWGZSCPPMC-OAHLLOKOSA-N -1 3 353.451 3.166 20 0 FGADHM O=C(c1cc(-c2nn[n-]n2)cs1)N1CCCC[C@@H]1Cc1ccccc1 ZINC000823472443 606501328 /nfs/dbraw/zinc/50/13/28/606501328.db2.gz MPCIBWGZSCPPMC-OAHLLOKOSA-N -1 3 353.451 3.166 20 0 FGADHM O=C(Nc1ccc(-n2ccnc2)c(Cl)c1)c1cc(-c2nnn[n-]2)cs1 ZINC000823323103 606501384 /nfs/dbraw/zinc/50/13/84/606501384.db2.gz BIXQPVWIMRDUNE-UHFFFAOYSA-N -1 3 371.813 3.020 20 0 FGADHM O=C(Nc1ccc(-n2ccnc2)c(Cl)c1)c1cc(-c2nn[n-]n2)cs1 ZINC000823323103 606501385 /nfs/dbraw/zinc/50/13/85/606501385.db2.gz BIXQPVWIMRDUNE-UHFFFAOYSA-N -1 3 371.813 3.020 20 0 FGADHM CCOc1ccccc1[C@H](CC)NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000821431343 606502205 /nfs/dbraw/zinc/50/22/05/606502205.db2.gz QMJXFUNEKZEWCZ-ZDUSSCGKSA-N -1 3 357.439 3.208 20 0 FGADHM CCOc1ccccc1[C@H](CC)NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000821431343 606502207 /nfs/dbraw/zinc/50/22/07/606502207.db2.gz QMJXFUNEKZEWCZ-ZDUSSCGKSA-N -1 3 357.439 3.208 20 0 FGADHM CC(C)CN(Cc1ccccc1F)C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820091974 606506489 /nfs/dbraw/zinc/50/64/89/606506489.db2.gz CTCQHLVWBQWTEM-UHFFFAOYSA-N -1 3 367.428 3.233 20 0 FGADHM CC(C)CN(Cc1ccccc1F)C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820091974 606506491 /nfs/dbraw/zinc/50/64/91/606506491.db2.gz CTCQHLVWBQWTEM-UHFFFAOYSA-N -1 3 367.428 3.233 20 0 FGADHM Cc1ccc(CN(C(=O)c2cc(-c3nnn[n-]3)cs2)C2CC2)cc1C ZINC000822235907 606516507 /nfs/dbraw/zinc/51/65/07/606516507.db2.gz BKXRRNXTBVHLBQ-UHFFFAOYSA-N -1 3 353.451 3.350 20 0 FGADHM Cc1ccc(CN(C(=O)c2cc(-c3nn[n-]n3)cs2)C2CC2)cc1C ZINC000822235907 606516508 /nfs/dbraw/zinc/51/65/08/606516508.db2.gz BKXRRNXTBVHLBQ-UHFFFAOYSA-N -1 3 353.451 3.350 20 0 FGADHM O=C(Nc1ccc(Br)c(F)c1)c1cc(-c2nnn[n-]2)cs1 ZINC000823323165 606519709 /nfs/dbraw/zinc/51/97/09/606519709.db2.gz DZJHKEYIRIHDOF-UHFFFAOYSA-N -1 3 368.191 3.082 20 0 FGADHM O=C(Nc1ccc(Br)c(F)c1)c1cc(-c2nn[n-]n2)cs1 ZINC000823323165 606519711 /nfs/dbraw/zinc/51/97/11/606519711.db2.gz DZJHKEYIRIHDOF-UHFFFAOYSA-N -1 3 368.191 3.082 20 0 FGADHM Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)c2cc(-c3nnn[n-]3)cs2)o1 ZINC000822233945 606521995 /nfs/dbraw/zinc/52/19/95/606521995.db2.gz YFASNCFDRRLMTR-GXFFZTMASA-N -1 3 357.439 3.443 20 0 FGADHM Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)c2cc(-c3nn[n-]n3)cs2)o1 ZINC000822233945 606521996 /nfs/dbraw/zinc/52/19/96/606521996.db2.gz YFASNCFDRRLMTR-GXFFZTMASA-N -1 3 357.439 3.443 20 0 FGADHM C[C@H](NC(=O)C/C=C/c1cccc(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820323844 606522656 /nfs/dbraw/zinc/52/26/56/606522656.db2.gz ZOYHJJWLEMMWKL-LQPUYASZSA-N -1 3 351.385 3.287 20 0 FGADHM C[C@H](NC(=O)C/C=C/c1cccc(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820323844 606522657 /nfs/dbraw/zinc/52/26/57/606522657.db2.gz ZOYHJJWLEMMWKL-LQPUYASZSA-N -1 3 351.385 3.287 20 0 FGADHM O=C(NCC1(c2ccc(Cl)cc2)CCC1)c1cc(-c2nnn[n-]2)cs1 ZINC000823171227 606540465 /nfs/dbraw/zinc/54/04/65/606540465.db2.gz RCMQTXNXHCXKBD-UHFFFAOYSA-N -1 3 373.869 3.433 20 0 FGADHM O=C(NCC1(c2ccc(Cl)cc2)CCC1)c1cc(-c2nn[n-]n2)cs1 ZINC000823171227 606540466 /nfs/dbraw/zinc/54/04/66/606540466.db2.gz RCMQTXNXHCXKBD-UHFFFAOYSA-N -1 3 373.869 3.433 20 0 FGADHM CC(C)c1nc2cc(NC(=O)c3cc(-c4nnn[n-]4)cs3)ccc2o1 ZINC000820202297 606553593 /nfs/dbraw/zinc/55/35/93/606553593.db2.gz GIYSPVVXYPQEHM-UHFFFAOYSA-N -1 3 354.395 3.445 20 0 FGADHM CC(C)c1nc2cc(NC(=O)c3cc(-c4nn[n-]n4)cs3)ccc2o1 ZINC000820202297 606553595 /nfs/dbraw/zinc/55/35/95/606553595.db2.gz GIYSPVVXYPQEHM-UHFFFAOYSA-N -1 3 354.395 3.445 20 0 FGADHM Cc1ccsc1C(=O)OCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000822379297 606557132 /nfs/dbraw/zinc/55/71/32/606557132.db2.gz MZDLVSBTJQXUDK-UHFFFAOYSA-N -1 3 366.349 3.195 20 0 FGADHM Cc1ccsc1C(=O)OCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000822379297 606557133 /nfs/dbraw/zinc/55/71/33/606557133.db2.gz MZDLVSBTJQXUDK-UHFFFAOYSA-N -1 3 366.349 3.195 20 0 FGADHM C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820293811 606567478 /nfs/dbraw/zinc/56/74/78/606567478.db2.gz OMPYAHMITAITGC-ZDUSSCGKSA-N -1 3 369.856 3.152 20 0 FGADHM C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820293811 606567480 /nfs/dbraw/zinc/56/74/80/606567480.db2.gz OMPYAHMITAITGC-ZDUSSCGKSA-N -1 3 369.856 3.152 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1ccc(OC2CCC2)c(F)c1 ZINC000823104107 606583244 /nfs/dbraw/zinc/58/32/44/606583244.db2.gz REOXXZKDXNSQPF-UHFFFAOYSA-N -1 3 367.384 3.118 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1ccc(OC2CCC2)c(F)c1 ZINC000823104107 606583245 /nfs/dbraw/zinc/58/32/45/606583245.db2.gz REOXXZKDXNSQPF-UHFFFAOYSA-N -1 3 367.384 3.118 20 0 FGADHM CCOC(=O)[C@H](CC)SCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000821321406 606590233 /nfs/dbraw/zinc/59/02/33/606590233.db2.gz WOKPEOLLWWCNJP-LBPRGKRZSA-N -1 3 372.397 3.043 20 0 FGADHM CCOC(=O)[C@H](CC)SCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000821321406 606590235 /nfs/dbraw/zinc/59/02/35/606590235.db2.gz WOKPEOLLWWCNJP-LBPRGKRZSA-N -1 3 372.397 3.043 20 0 FGADHM C[C@@H](Nc1c(-c2nnn[n-]2)cnc2ccccc21)c1ccc(F)cc1F ZINC000736139246 606592906 /nfs/dbraw/zinc/59/29/06/606592906.db2.gz PPZVINFQLGKATK-SNVBAGLBSA-N -1 3 352.348 3.288 20 0 FGADHM C[C@@H](Nc1c(-c2nn[n-]n2)cnc2ccccc21)c1ccc(F)cc1F ZINC000736139246 606592907 /nfs/dbraw/zinc/59/29/07/606592907.db2.gz PPZVINFQLGKATK-SNVBAGLBSA-N -1 3 352.348 3.288 20 0 FGADHM Cc1nnc(NC[C@H]2CCC[C@H](C(F)(F)F)C2)c(-c2nnn[n-]2)c1C ZINC000822516362 606594882 /nfs/dbraw/zinc/59/48/82/606594882.db2.gz XBIJOOHDAWYAIK-QWRGUYRKSA-N -1 3 355.368 3.054 20 0 FGADHM Cc1nnc(NC[C@H]2CCC[C@H](C(F)(F)F)C2)c(-c2nn[n-]n2)c1C ZINC000822516362 606594884 /nfs/dbraw/zinc/59/48/84/606594884.db2.gz XBIJOOHDAWYAIK-QWRGUYRKSA-N -1 3 355.368 3.054 20 0 FGADHM CN(C)C(=O)Sc1cccc(CNc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821577974 606596490 /nfs/dbraw/zinc/59/64/90/606596490.db2.gz HKWMLGASKUJZFT-UHFFFAOYSA-N -1 3 354.439 3.253 20 0 FGADHM COc1cccc([C@H](C)CC(=O)N(C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000821858913 606602580 /nfs/dbraw/zinc/60/25/80/606602580.db2.gz INDHLQPKFRZYJE-CYBMUJFWSA-N -1 3 351.410 3.032 20 0 FGADHM COc1cccc([C@H](C)CC(=O)N(C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000821858913 606602582 /nfs/dbraw/zinc/60/25/82/606602582.db2.gz INDHLQPKFRZYJE-CYBMUJFWSA-N -1 3 351.410 3.032 20 0 FGADHM COc1cccc([C@H](C)CC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC)c1 ZINC000821858934 606602907 /nfs/dbraw/zinc/60/29/07/606602907.db2.gz IUNLHQBUTJZRPZ-GFCCVEGCSA-N -1 3 367.409 3.016 20 0 FGADHM COc1cccc([C@H](C)CC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC)c1 ZINC000821858934 606602908 /nfs/dbraw/zinc/60/29/08/606602908.db2.gz IUNLHQBUTJZRPZ-GFCCVEGCSA-N -1 3 367.409 3.016 20 0 FGADHM CO[C@@H]1C[C@@H](n2c(C)csc2=Nc2ccccc2-c2nnn[n-]2)C1(C)C ZINC000821677909 606611588 /nfs/dbraw/zinc/61/15/88/606611588.db2.gz GOAUAUNQYWJOHV-HUUCEWRRSA-N -1 3 370.482 3.257 20 0 FGADHM CO[C@@H]1C[C@@H](n2c(C)csc2=Nc2ccccc2-c2nn[n-]n2)C1(C)C ZINC000821677909 606611590 /nfs/dbraw/zinc/61/15/90/606611590.db2.gz GOAUAUNQYWJOHV-HUUCEWRRSA-N -1 3 370.482 3.257 20 0 FGADHM CCO[C@H]1C[C@@H](NC(=S)Nc2ccccc2-c2nnn[n-]2)C1(CC)CC ZINC000821361408 606618648 /nfs/dbraw/zinc/61/86/48/606618648.db2.gz URSAYQYQQHZXHW-CABCVRRESA-N -1 3 374.514 3.137 20 0 FGADHM CCO[C@H]1C[C@@H](NC(=S)Nc2ccccc2-c2nn[n-]n2)C1(CC)CC ZINC000821361408 606618651 /nfs/dbraw/zinc/61/86/51/606618651.db2.gz URSAYQYQQHZXHW-CABCVRRESA-N -1 3 374.514 3.137 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@H](C)c1ccc(Cl)s1 ZINC000821699363 606624763 /nfs/dbraw/zinc/62/47/63/606624763.db2.gz NPCWAZYHBZRKOX-MRVPVSSYSA-N -1 3 364.814 3.299 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@H](C)c1ccc(Cl)s1 ZINC000821699363 606624764 /nfs/dbraw/zinc/62/47/64/606624764.db2.gz NPCWAZYHBZRKOX-MRVPVSSYSA-N -1 3 364.814 3.299 20 0 FGADHM O=C(CSc1cccc(F)c1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000823070642 606628003 /nfs/dbraw/zinc/62/80/03/606628003.db2.gz IYKXOWCQYFWDID-UHFFFAOYSA-N -1 3 363.805 3.390 20 0 FGADHM O=C(CSc1cccc(F)c1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000823070642 606628005 /nfs/dbraw/zinc/62/80/05/606628005.db2.gz IYKXOWCQYFWDID-UHFFFAOYSA-N -1 3 363.805 3.390 20 0 FGADHM C[C@H](Sc1ccc(Cl)cc1-c1nnn[n-]1)C(=O)N1CCC(C)CC1 ZINC000820717913 606628521 /nfs/dbraw/zinc/62/85/21/606628521.db2.gz YRPQTTWPTGHKPZ-NSHDSACASA-N -1 3 365.890 3.259 20 0 FGADHM C[C@H](Sc1ccc(Cl)cc1-c1nn[n-]n1)C(=O)N1CCC(C)CC1 ZINC000820717913 606628524 /nfs/dbraw/zinc/62/85/24/606628524.db2.gz YRPQTTWPTGHKPZ-NSHDSACASA-N -1 3 365.890 3.259 20 0 FGADHM C[C@@H]1C[C@@H](C)CN(C(=O)CSc2ccc(Cl)cc2-c2nnn[n-]2)C1 ZINC000820650873 606630080 /nfs/dbraw/zinc/63/00/80/606630080.db2.gz YAWVEBBWVRCBDI-GHMZBOCLSA-N -1 3 365.890 3.117 20 0 FGADHM C[C@@H]1C[C@@H](C)CN(C(=O)CSc2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC000820650873 606630081 /nfs/dbraw/zinc/63/00/81/606630081.db2.gz YAWVEBBWVRCBDI-GHMZBOCLSA-N -1 3 365.890 3.117 20 0 FGADHM CC(C)N(C)C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000820112283 606658046 /nfs/dbraw/zinc/65/80/46/606658046.db2.gz PTOWHQCAIPINSE-UHFFFAOYSA-N -1 3 356.455 3.145 20 0 FGADHM C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000820689729 606658832 /nfs/dbraw/zinc/65/88/32/606658832.db2.gz CGPMHCHWWIVZAD-UOIKSKOESA-N -1 3 368.485 3.365 20 0 FGADHM C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000820689729 606658833 /nfs/dbraw/zinc/65/88/33/606658833.db2.gz CGPMHCHWWIVZAD-UOIKSKOESA-N -1 3 368.485 3.365 20 0 FGADHM O=C(c1cccc(-c2nnn[n-]2)c1)N1CCCCC[C@@H]1[C@H]1CCCCC1=O ZINC000823525910 606659375 /nfs/dbraw/zinc/65/93/75/606659375.db2.gz VRCDGUCYXHLWJT-IAGOWNOFSA-N -1 3 367.453 3.011 20 0 FGADHM O=C(c1cccc(-c2nn[n-]n2)c1)N1CCCCC[C@@H]1[C@H]1CCCCC1=O ZINC000823525910 606659376 /nfs/dbraw/zinc/65/93/76/606659376.db2.gz VRCDGUCYXHLWJT-IAGOWNOFSA-N -1 3 367.453 3.011 20 0 FGADHM CC(C)C[C@H](C)OCCC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820057327 606664959 /nfs/dbraw/zinc/66/49/59/606664959.db2.gz YKYJHNZQBLCILP-NSHDSACASA-N -1 3 351.838 3.300 20 0 FGADHM CC(C)C[C@H](C)OCCC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820057327 606664960 /nfs/dbraw/zinc/66/49/60/606664960.db2.gz YKYJHNZQBLCILP-NSHDSACASA-N -1 3 351.838 3.300 20 0 FGADHM CCCOc1ccccc1NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821138922 606665342 /nfs/dbraw/zinc/66/53/42/606665342.db2.gz KQHXSPOYGLIKBL-UHFFFAOYSA-N -1 3 359.336 3.186 20 0 FGADHM CCCOc1ccccc1NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821138922 606665343 /nfs/dbraw/zinc/66/53/43/606665343.db2.gz KQHXSPOYGLIKBL-UHFFFAOYSA-N -1 3 359.336 3.186 20 0 FGADHM CC(C)[C@H](NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000820027310 606666623 /nfs/dbraw/zinc/66/66/23/606666623.db2.gz QGWBTVPSNGCPDN-INIZCTEOSA-N -1 3 357.364 3.272 20 0 FGADHM CC(C)[C@H](NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000820027310 606666624 /nfs/dbraw/zinc/66/66/24/606666624.db2.gz QGWBTVPSNGCPDN-INIZCTEOSA-N -1 3 357.364 3.272 20 0 FGADHM Cc1cc2cc(NC(=O)c3c(F)cc(-c4nnn[n-]4)cc3F)ccc2[nH]1 ZINC000822213202 606668655 /nfs/dbraw/zinc/66/86/55/606668655.db2.gz YUCGUEVSSRSMIW-UHFFFAOYSA-N -1 3 354.320 3.187 20 0 FGADHM Cc1cc2cc(NC(=O)c3c(F)cc(-c4nn[n-]n4)cc3F)ccc2[nH]1 ZINC000822213202 606668656 /nfs/dbraw/zinc/66/86/56/606668656.db2.gz YUCGUEVSSRSMIW-UHFFFAOYSA-N -1 3 354.320 3.187 20 0 FGADHM CN(C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)C1C2CC3CC(C2)CC1C3 ZINC000821572319 606669595 /nfs/dbraw/zinc/66/95/95/606669595.db2.gz ZQISHXGIELBYDV-UHFFFAOYSA-N -1 3 373.407 3.042 20 0 FGADHM CN(C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)C1C2CC3CC(C2)CC1C3 ZINC000821572319 606669596 /nfs/dbraw/zinc/66/95/96/606669596.db2.gz ZQISHXGIELBYDV-UHFFFAOYSA-N -1 3 373.407 3.042 20 0 FGADHM 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/nfs/dbraw/zinc/92/40/43/606924043.db2.gz PPFSBHPVHNAHER-ZETCQYMHSA-N -1 3 369.269 3.265 20 0 FGADHM CCN(CC)C(=O)c1ccccc1NCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000821175696 606926791 /nfs/dbraw/zinc/92/67/91/606926791.db2.gz SUMQXLWWNPRSBL-UHFFFAOYSA-N -1 3 368.416 3.100 20 0 FGADHM CCN(CC)C(=O)c1ccccc1NCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821175696 606926792 /nfs/dbraw/zinc/92/67/92/606926792.db2.gz SUMQXLWWNPRSBL-UHFFFAOYSA-N -1 3 368.416 3.100 20 0 FGADHM Cc1cc(NCc2ccc(F)c(-c3nnn[n-]3)c2)ccc1C(=O)NC(C)C ZINC000822209740 606929585 /nfs/dbraw/zinc/92/95/85/606929585.db2.gz UWPLYSRMOGCSAZ-UHFFFAOYSA-N -1 3 368.416 3.065 20 0 FGADHM Cc1cc(NCc2ccc(F)c(-c3nn[n-]n3)c2)ccc1C(=O)NC(C)C ZINC000822209740 606929587 /nfs/dbraw/zinc/92/95/87/606929587.db2.gz UWPLYSRMOGCSAZ-UHFFFAOYSA-N -1 3 368.416 3.065 20 0 FGADHM O[C@@H](CN(c1ccc(F)cc1)C1CCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823675096 606930944 /nfs/dbraw/zinc/93/09/44/606930944.db2.gz UOZGIQPKJNRDBT-IBGZPJMESA-N -1 3 367.428 3.488 20 0 FGADHM O[C@@H](CN(c1ccc(F)cc1)C1CCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823675096 606930945 /nfs/dbraw/zinc/93/09/45/606930945.db2.gz UOZGIQPKJNRDBT-IBGZPJMESA-N -1 3 367.428 3.488 20 0 FGADHM C[C@@]1(CNc2ccc(C(F)(F)F)cc2-c2nnn[n-]2)CCCC[C@@H]1O ZINC000820623754 606940948 /nfs/dbraw/zinc/94/09/48/606940948.db2.gz XUOWFNGFHNUIER-ZFWWWQNUSA-N -1 3 355.364 3.239 20 0 FGADHM C[C@@]1(CNc2ccc(C(F)(F)F)cc2-c2nn[n-]n2)CCCC[C@@H]1O ZINC000820623754 606940950 /nfs/dbraw/zinc/94/09/50/606940950.db2.gz XUOWFNGFHNUIER-ZFWWWQNUSA-N -1 3 355.364 3.239 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)N1CCC2(CCC2)C1 ZINC000823302960 606955430 /nfs/dbraw/zinc/95/54/30/606955430.db2.gz BLISDKQGQQFBAC-UHFFFAOYSA-N -1 3 366.347 3.293 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)N1CCC2(CCC2)C1 ZINC000823302960 606955432 /nfs/dbraw/zinc/95/54/32/606955432.db2.gz BLISDKQGQQFBAC-UHFFFAOYSA-N -1 3 366.347 3.293 20 0 FGADHM CC(=O)c1ccc(C(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)s1 ZINC000819833483 606961934 /nfs/dbraw/zinc/96/19/34/606961934.db2.gz FTDXZNVPGOPWSP-UHFFFAOYSA-N -1 3 361.814 3.061 20 0 FGADHM CC(=O)c1ccc(C(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)s1 ZINC000819833483 606961936 /nfs/dbraw/zinc/96/19/36/606961936.db2.gz FTDXZNVPGOPWSP-UHFFFAOYSA-N -1 3 361.814 3.061 20 0 FGADHM CN(C)c1ccc(C(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)cc1F ZINC000821589330 606963317 /nfs/dbraw/zinc/96/33/17/606963317.db2.gz JKFPUHJBOBRDBN-UHFFFAOYSA-N -1 3 374.807 3.002 20 0 FGADHM CN(C)c1ccc(C(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)cc1F ZINC000821589330 606963318 /nfs/dbraw/zinc/96/33/18/606963318.db2.gz JKFPUHJBOBRDBN-UHFFFAOYSA-N -1 3 374.807 3.002 20 0 FGADHM CN(C(=O)c1cncc2ccccc21)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821574729 606963338 /nfs/dbraw/zinc/96/33/38/606963338.db2.gz UPZVUPWOZJAHSD-UHFFFAOYSA-N -1 3 364.796 3.345 20 0 FGADHM CN(C(=O)c1cncc2ccccc21)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821574729 606963341 /nfs/dbraw/zinc/96/33/41/606963341.db2.gz UPZVUPWOZJAHSD-UHFFFAOYSA-N -1 3 364.796 3.345 20 0 FGADHM CN(C(=O)c1cnc(-c2ccccc2)s1)c1ccccc1-c1nnn[n-]1 ZINC000821574572 606973661 /nfs/dbraw/zinc/97/36/61/606973661.db2.gz MMVKDOHCTOGLTH-UHFFFAOYSA-N -1 3 362.418 3.267 20 0 FGADHM CN(C(=O)c1cnc(-c2ccccc2)s1)c1ccccc1-c1nn[n-]n1 ZINC000821574572 606973663 /nfs/dbraw/zinc/97/36/63/606973663.db2.gz MMVKDOHCTOGLTH-UHFFFAOYSA-N -1 3 362.418 3.267 20 0 FGADHM COc1ccc(C(C)(C)C(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821773027 606992384 /nfs/dbraw/zinc/99/23/84/606992384.db2.gz XDJZPXIQUJAULW-CYBMUJFWSA-N -1 3 365.437 3.030 20 0 FGADHM COc1ccc(C(C)(C)C(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821773027 606992385 /nfs/dbraw/zinc/99/23/85/606992385.db2.gz XDJZPXIQUJAULW-CYBMUJFWSA-N -1 3 365.437 3.030 20 0 FGADHM C[C@H](CC(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC000820225480 606999533 /nfs/dbraw/zinc/99/95/33/606999533.db2.gz JQBMEVBKQCXOKY-LLVKDONJSA-N -1 3 358.348 3.382 20 0 FGADHM C[C@H](CC(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC000820225480 606999534 /nfs/dbraw/zinc/99/95/34/606999534.db2.gz JQBMEVBKQCXOKY-LLVKDONJSA-N -1 3 358.348 3.382 20 0 FGADHM Cn1c(SCc2ccc(F)c(-c3nnn[n-]3)c2)nnc1-c1cccs1 ZINC000822604803 607007194 /nfs/dbraw/zinc/00/71/94/607007194.db2.gz KYVXQNAOWZOEDQ-UHFFFAOYSA-N -1 3 373.442 3.155 20 0 FGADHM Cn1c(SCc2ccc(F)c(-c3nn[n-]n3)c2)nnc1-c1cccs1 ZINC000822604803 607007197 /nfs/dbraw/zinc/00/71/97/607007197.db2.gz KYVXQNAOWZOEDQ-UHFFFAOYSA-N -1 3 373.442 3.155 20 0 FGADHM CC(C)OC(=O)c1ccc(OCc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000820142822 607007971 /nfs/dbraw/zinc/00/79/71/607007971.db2.gz XMVTUIODUHFVPI-UHFFFAOYSA-N -1 3 356.357 3.150 20 0 FGADHM CC(C)OC(=O)c1ccc(OCc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000820142822 607007973 /nfs/dbraw/zinc/00/79/73/607007973.db2.gz XMVTUIODUHFVPI-UHFFFAOYSA-N -1 3 356.357 3.150 20 0 FGADHM CC(C)n1ncc2cc(CSc3cccc(-c4nnn[n-]4)c3)cnc21 ZINC000820215658 607014445 /nfs/dbraw/zinc/01/44/45/607014445.db2.gz YBFJYABRCZSBSR-UHFFFAOYSA-N -1 3 351.439 3.485 20 0 FGADHM CC(C)n1ncc2cc(CSc3cccc(-c4nn[n-]n4)c3)cnc21 ZINC000820215658 607014447 /nfs/dbraw/zinc/01/44/47/607014447.db2.gz YBFJYABRCZSBSR-UHFFFAOYSA-N -1 3 351.439 3.485 20 0 FGADHM O=C(CSc1cccc(-c2nnn[n-]2)c1)NC12CC3CC(CC(C3)C1)C2 ZINC000823070572 607015742 /nfs/dbraw/zinc/01/57/42/607015742.db2.gz FSVRKASOWUEHLE-UHFFFAOYSA-N -1 3 369.494 3.044 20 0 FGADHM O=C(CSc1cccc(-c2nn[n-]n2)c1)NC12CC3CC(CC(C3)C1)C2 ZINC000823070572 607015744 /nfs/dbraw/zinc/01/57/44/607015744.db2.gz FSVRKASOWUEHLE-UHFFFAOYSA-N -1 3 369.494 3.044 20 0 FGADHM O=C1[C@H](Sc2cccc(-c3nnn[n-]3)c2)CCCN1c1ccccc1 ZINC000823514229 607016170 /nfs/dbraw/zinc/01/61/70/607016170.db2.gz XXBAINGRUZYLGI-MRXNPFEDSA-N -1 3 351.435 3.154 20 0 FGADHM O=C1[C@H](Sc2cccc(-c3nn[n-]n3)c2)CCCN1c1ccccc1 ZINC000823514229 607016171 /nfs/dbraw/zinc/01/61/71/607016171.db2.gz XXBAINGRUZYLGI-MRXNPFEDSA-N -1 3 351.435 3.154 20 0 FGADHM Cc1ccc(CSCC(=O)NCc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000822239695 607017385 /nfs/dbraw/zinc/01/73/85/607017385.db2.gz ACZZEONYLFYINS-UHFFFAOYSA-N -1 3 367.478 3.033 20 0 FGADHM Cc1ccc(CSCC(=O)NCc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000822239695 607017386 /nfs/dbraw/zinc/01/73/86/607017386.db2.gz ACZZEONYLFYINS-UHFFFAOYSA-N -1 3 367.478 3.033 20 0 FGADHM C[C@H]1CC[C@@H](CC(=O)NCCSCc2ccccc2-c2nnn[n-]2)C1 ZINC000820684879 607023187 /nfs/dbraw/zinc/02/31/87/607023187.db2.gz SQDPGOQLZCHDRN-UONOGXRCSA-N -1 3 359.499 3.042 20 0 FGADHM C[C@H]1CC[C@@H](CC(=O)NCCSCc2ccccc2-c2nn[n-]n2)C1 ZINC000820684879 607023188 /nfs/dbraw/zinc/02/31/88/607023188.db2.gz SQDPGOQLZCHDRN-UONOGXRCSA-N -1 3 359.499 3.042 20 0 FGADHM Cc1ccc(NC(=O)CCc2ccc(-c3nnn[n-]3)cc2)cc1-c1ncco1 ZINC000822242479 607027593 /nfs/dbraw/zinc/02/75/93/607027593.db2.gz MIZBCDHZTYWGMK-UHFFFAOYSA-N -1 3 374.404 3.401 20 0 FGADHM Cc1ccc(NC(=O)CCc2ccc(-c3nn[n-]n3)cc2)cc1-c1ncco1 ZINC000822242479 607027595 /nfs/dbraw/zinc/02/75/95/607027595.db2.gz MIZBCDHZTYWGMK-UHFFFAOYSA-N -1 3 374.404 3.401 20 0 FGADHM c1cn(CCCOCCc2ccccc2)nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC000823780757 607029003 /nfs/dbraw/zinc/02/90/03/607029003.db2.gz VRHZYRQVERTQSX-UHFFFAOYSA-N -1 3 374.448 3.380 20 0 FGADHM c1cn(CCCOCCc2ccccc2)nc1-c1ccc(-c2nn[n-]n2)cc1 ZINC000823780757 607029004 /nfs/dbraw/zinc/02/90/04/607029004.db2.gz VRHZYRQVERTQSX-UHFFFAOYSA-N -1 3 374.448 3.380 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1OCC(=O)N[C@@H](c1ccccc1)C(C)C ZINC000822221245 607029815 /nfs/dbraw/zinc/02/98/15/607029815.db2.gz HCLWLLVEHWNNGR-LJQANCHMSA-N -1 3 365.437 3.067 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1OCC(=O)N[C@@H](c1ccccc1)C(C)C ZINC000822221245 607029816 /nfs/dbraw/zinc/02/98/16/607029816.db2.gz HCLWLLVEHWNNGR-LJQANCHMSA-N -1 3 365.437 3.067 20 0 FGADHM COc1ccc(CNc2c(F)cc(-c3nnn[n-]3)cc2F)cc1Cl ZINC000821821334 607038017 /nfs/dbraw/zinc/03/80/17/607038017.db2.gz FROVYNYTEKFGDO-UHFFFAOYSA-N -1 3 351.744 3.419 20 0 FGADHM COc1ccc(CNc2c(F)cc(-c3nn[n-]n3)cc2F)cc1Cl ZINC000821821334 607038019 /nfs/dbraw/zinc/03/80/19/607038019.db2.gz FROVYNYTEKFGDO-UHFFFAOYSA-N -1 3 351.744 3.419 20 0 FGADHM Fc1ccc(-c2nnn[n-]2)c(CSc2nnc(C3CC3)n2C2CC2)c1 ZINC000822758165 607038816 /nfs/dbraw/zinc/03/88/16/607038816.db2.gz KSMWJBZRKCZJDQ-UHFFFAOYSA-N -1 3 357.418 3.102 20 0 FGADHM Fc1ccc(-c2nn[n-]n2)c(CSc2nnc(C3CC3)n2C2CC2)c1 ZINC000822758165 607038817 /nfs/dbraw/zinc/03/88/17/607038817.db2.gz KSMWJBZRKCZJDQ-UHFFFAOYSA-N -1 3 357.418 3.102 20 0 FGADHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(N3CC[C@@H](OCC(C)C)C3)c2c1 ZINC000822195190 607044999 /nfs/dbraw/zinc/04/49/99/607044999.db2.gz JQWNRHXICUILLG-OAHLLOKOSA-N -1 3 366.469 3.283 20 0 FGADHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(N3CC[C@@H](OCC(C)C)C3)c2c1 ZINC000822195190 607045001 /nfs/dbraw/zinc/04/50/01/607045001.db2.gz JQWNRHXICUILLG-OAHLLOKOSA-N -1 3 366.469 3.283 20 0 FGADHM Cc1nc(Cl)cc(Oc2ccc(Br)cc2-c2nnn[n-]2)n1 ZINC000822449506 607046178 /nfs/dbraw/zinc/04/61/78/607046178.db2.gz BUWOEANGOSIPOL-UHFFFAOYSA-N -1 3 367.594 3.173 20 0 FGADHM Cc1nc(Cl)cc(Oc2ccc(Br)cc2-c2nn[n-]n2)n1 ZINC000822449506 607046180 /nfs/dbraw/zinc/04/61/80/607046180.db2.gz BUWOEANGOSIPOL-UHFFFAOYSA-N -1 3 367.594 3.173 20 0 FGADHM C[C@H]1c2ccccc2CN1C(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000820825827 607052893 /nfs/dbraw/zinc/05/28/93/607052893.db2.gz FCYQKWZUUAVBQR-ZDUSSCGKSA-N -1 3 363.421 3.128 20 0 FGADHM C[C@H]1c2ccccc2CN1C(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000820825827 607052895 /nfs/dbraw/zinc/05/28/95/607052895.db2.gz FCYQKWZUUAVBQR-ZDUSSCGKSA-N -1 3 363.421 3.128 20 0 FGADHM C[C@@H](NCc1ccc(-c2nn[n-]n2)cc1F)c1cnn(-c2ccccc2)c1 ZINC000820426402 607056994 /nfs/dbraw/zinc/05/69/94/607056994.db2.gz JRYHESKSQWGELY-CYBMUJFWSA-N -1 3 363.400 3.042 20 0 FGADHM C[C@@H]1CN(Cc2cc(F)ccc2-c2nnn[n-]2)C[C@H](c2ccc(F)cc2)O1 ZINC000820758754 607067987 /nfs/dbraw/zinc/06/79/87/607067987.db2.gz CNODKQQYGYBBIQ-KZULUSFZSA-N -1 3 371.391 3.107 20 0 FGADHM C[C@@H]1CN(Cc2cc(F)ccc2-c2nn[n-]n2)C[C@H](c2ccc(F)cc2)O1 ZINC000820758754 607067991 /nfs/dbraw/zinc/06/79/91/607067991.db2.gz CNODKQQYGYBBIQ-KZULUSFZSA-N -1 3 371.391 3.107 20 0 FGADHM O=C(C=Cc1ccc(Cl)s1)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000822930018 607075930 /nfs/dbraw/zinc/07/59/30/607075930.db2.gz XPCBZOUSLTYLSQ-UTCJRWHESA-N -1 3 364.789 3.477 20 0 FGADHM O=C(C=Cc1ccc(Cl)s1)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000822930018 607075932 /nfs/dbraw/zinc/07/59/32/607075932.db2.gz XPCBZOUSLTYLSQ-UTCJRWHESA-N -1 3 364.789 3.477 20 0 FGADHM O=C(Cc1coc2cc(F)ccc12)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000823118565 607086093 /nfs/dbraw/zinc/08/60/93/607086093.db2.gz FYVGCQYFDVXFPE-UHFFFAOYSA-N -1 3 370.315 3.177 20 0 FGADHM O=C(Cc1coc2cc(F)ccc12)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000823118565 607086094 /nfs/dbraw/zinc/08/60/94/607086094.db2.gz FYVGCQYFDVXFPE-UHFFFAOYSA-N -1 3 370.315 3.177 20 0 FGADHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)C1(Cc2ccccc2)CC1 ZINC000823413262 607086323 /nfs/dbraw/zinc/08/63/23/607086323.db2.gz DMORYRJVGIUXMB-UHFFFAOYSA-N -1 3 352.369 3.072 20 0 FGADHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)C1(Cc2ccccc2)CC1 ZINC000823413262 607086324 /nfs/dbraw/zinc/08/63/24/607086324.db2.gz DMORYRJVGIUXMB-UHFFFAOYSA-N -1 3 352.369 3.072 20 0 FGADHM O=C(O[C@@H](Cc1ccccc1)c1cccnc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823392194 607094375 /nfs/dbraw/zinc/09/43/75/607094375.db2.gz MWXGWSVWFMFTKQ-IBGZPJMESA-N -1 3 371.400 3.403 20 0 FGADHM O=C(O[C@@H](Cc1ccccc1)c1cccnc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823392194 607094376 /nfs/dbraw/zinc/09/43/76/607094376.db2.gz MWXGWSVWFMFTKQ-IBGZPJMESA-N -1 3 371.400 3.403 20 0 FGADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc2cc(F)ccc2[nH]1 ZINC000821304253 607100727 /nfs/dbraw/zinc/10/07/27/607100727.db2.gz CIYHAGOIKVAQLG-UHFFFAOYSA-N -1 3 365.372 3.171 20 0 FGADHM C[C@H](Nc1ccccc1O[C@H]1CCOC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820461867 607110739 /nfs/dbraw/zinc/11/07/39/607110739.db2.gz RTBWVWDVXMGUJY-BBRMVZONSA-N -1 3 351.410 3.208 20 0 FGADHM C[C@H](Nc1ccccc1O[C@H]1CCOC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820461867 607110741 /nfs/dbraw/zinc/11/07/41/607110741.db2.gz RTBWVWDVXMGUJY-BBRMVZONSA-N -1 3 351.410 3.208 20 0 FGADHM Cc1ccc(NC(=O)CNc2ccc(-c3nn[n-]n3)cc2Cl)cc1C ZINC000822242217 607126349 /nfs/dbraw/zinc/12/63/49/607126349.db2.gz DXNKOMRERGGFHU-UHFFFAOYSA-N -1 3 356.817 3.188 20 0 FGADHM C[C@@H](NC(=O)Nc1cccc(OCCF)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820380464 607138712 /nfs/dbraw/zinc/13/87/12/607138712.db2.gz UFWTXAANGAAEBG-GFCCVEGCSA-N -1 3 370.388 3.098 20 0 FGADHM C[C@@H](NC(=O)Nc1cccc(OCCF)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820380464 607138713 /nfs/dbraw/zinc/13/87/13/607138713.db2.gz UFWTXAANGAAEBG-GFCCVEGCSA-N -1 3 370.388 3.098 20 0 FGADHM CC[C@@H](OC1CCCCC1)C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820939042 607151954 /nfs/dbraw/zinc/15/19/54/607151954.db2.gz PFHWPEMMWMVDKR-CXAGYDPISA-N -1 3 357.458 3.172 20 0 FGADHM CC[C@@H](OC1CCCCC1)C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820939042 607151955 /nfs/dbraw/zinc/15/19/55/607151955.db2.gz PFHWPEMMWMVDKR-CXAGYDPISA-N -1 3 357.458 3.172 20 0 FGADHM CCCCC[C@H]1CCCN1C(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000821050742 607165186 /nfs/dbraw/zinc/16/51/86/607165186.db2.gz TZVHUEFXBHEBDE-CABCVRRESA-N -1 3 357.458 3.205 20 0 FGADHM CCCCC[C@H]1CCCN1C(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000821050742 607165187 /nfs/dbraw/zinc/16/51/87/607165187.db2.gz TZVHUEFXBHEBDE-CABCVRRESA-N -1 3 357.458 3.205 20 0 FGADHM Clc1ncc(COc2ccc(Br)cc2-c2nnn[n-]2)s1 ZINC000822591060 607169947 /nfs/dbraw/zinc/16/99/47/607169947.db2.gz PXDPPGRAJCPSME-UHFFFAOYSA-N -1 3 372.635 3.318 20 0 FGADHM Clc1ncc(COc2ccc(Br)cc2-c2nn[n-]n2)s1 ZINC000822591060 607169948 /nfs/dbraw/zinc/16/99/48/607169948.db2.gz PXDPPGRAJCPSME-UHFFFAOYSA-N -1 3 372.635 3.318 20 0 FGADHM O=C(CCSc1cccc(-c2nnn[n-]2)c1)Nc1cc(F)cc(F)c1 ZINC000822974442 607170127 /nfs/dbraw/zinc/17/01/27/607170127.db2.gz NCZGOOXPIQBUJN-UHFFFAOYSA-N -1 3 361.377 3.266 20 0 FGADHM O=C(CCSc1cccc(-c2nn[n-]n2)c1)Nc1cc(F)cc(F)c1 ZINC000822974442 607170128 /nfs/dbraw/zinc/17/01/28/607170128.db2.gz NCZGOOXPIQBUJN-UHFFFAOYSA-N -1 3 361.377 3.266 20 0 FGADHM OCC[C@@H](Nc1ccc(C(F)(F)F)cc1-c1nnn[n-]1)c1cccs1 ZINC000823718508 607174078 /nfs/dbraw/zinc/17/40/78/607174078.db2.gz XKYGCSKJXMYLQQ-GFCCVEGCSA-N -1 3 369.372 3.483 20 0 FGADHM OCC[C@@H](Nc1ccc(C(F)(F)F)cc1-c1nn[n-]n1)c1cccs1 ZINC000823718508 607174079 /nfs/dbraw/zinc/17/40/79/607174079.db2.gz XKYGCSKJXMYLQQ-GFCCVEGCSA-N -1 3 369.372 3.483 20 0 FGADHM c1cncc(-c2cccc(CN(c3ccc(-c4nnn[n-]4)cn3)C3CC3)c2)c1 ZINC000823815544 607176073 /nfs/dbraw/zinc/17/60/73/607176073.db2.gz DVSLNFFSUDAJSL-UHFFFAOYSA-N -1 3 369.432 3.493 20 0 FGADHM c1cncc(-c2cccc(CN(c3ccc(-c4nn[n-]n4)cn3)C3CC3)c2)c1 ZINC000823815544 607176074 /nfs/dbraw/zinc/17/60/74/607176074.db2.gz DVSLNFFSUDAJSL-UHFFFAOYSA-N -1 3 369.432 3.493 20 0 FGADHM CCCC[C@@H](CC)C(=O)NCc1nc(-c2cccc(-c3nnn[n-]3)c2)c[nH]1 ZINC000821041027 607187893 /nfs/dbraw/zinc/18/78/93/607187893.db2.gz XVDPFYCSYKUUDW-CYBMUJFWSA-N -1 3 367.457 3.089 20 0 FGADHM CCCC[C@@H](CC)C(=O)NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1 ZINC000821041027 607187894 /nfs/dbraw/zinc/18/78/94/607187894.db2.gz XVDPFYCSYKUUDW-CYBMUJFWSA-N -1 3 367.457 3.089 20 0 FGADHM COc1ccc([C@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000821777174 607190779 /nfs/dbraw/zinc/19/07/79/607190779.db2.gz BREXBLSVHFBHBI-JTQLQIEISA-N -1 3 357.801 3.271 20 0 FGADHM COc1ccc([C@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000821777174 607190780 /nfs/dbraw/zinc/19/07/80/607190780.db2.gz BREXBLSVHFBHBI-JTQLQIEISA-N -1 3 357.801 3.271 20 0 FGADHM Cc1c[nH]c(-c2ccccc2NC(=O)CCc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000822129243 607191896 /nfs/dbraw/zinc/19/18/96/607191896.db2.gz KHJPAFMQSSRWGH-UHFFFAOYSA-N -1 3 373.420 3.137 20 0 FGADHM CCSCC[C@H](C)NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821461207 607196679 /nfs/dbraw/zinc/19/66/79/607196679.db2.gz MKIIFWGJUXOHKV-VIFPVBQESA-N -1 3 354.867 3.173 20 0 FGADHM CCSCC[C@H](C)NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821461207 607196680 /nfs/dbraw/zinc/19/66/80/607196680.db2.gz MKIIFWGJUXOHKV-VIFPVBQESA-N -1 3 354.867 3.173 20 0 FGADHM C[C@H](CCc1ccco1)NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820253437 607199846 /nfs/dbraw/zinc/19/98/46/607199846.db2.gz IIJJPOJQOSVLSM-SNVBAGLBSA-N -1 3 360.805 3.256 20 0 FGADHM C[C@H](CCc1ccco1)NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820253437 607199847 /nfs/dbraw/zinc/19/98/47/607199847.db2.gz IIJJPOJQOSVLSM-SNVBAGLBSA-N -1 3 360.805 3.256 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N1CC[C@@H](c2ccco2)C1 ZINC000823314176 607203199 /nfs/dbraw/zinc/20/31/99/607203199.db2.gz NLPFWXANCGPNML-LLVKDONJSA-N -1 3 358.789 3.135 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N1CC[C@@H](c2ccco2)C1 ZINC000823314176 607203200 /nfs/dbraw/zinc/20/32/00/607203200.db2.gz NLPFWXANCGPNML-LLVKDONJSA-N -1 3 358.789 3.135 20 0 FGADHM CN(Cc1nccn1C(F)F)c1cc(-c2nnn[n-]2)ccc1C(F)(F)F ZINC000821617757 607226993 /nfs/dbraw/zinc/22/69/93/607226993.db2.gz APXGDBRRSHLBRJ-UHFFFAOYSA-N -1 3 373.289 3.114 20 0 FGADHM CN(Cc1nccn1C(F)F)c1cc(-c2nn[n-]n2)ccc1C(F)(F)F ZINC000821617757 607226994 /nfs/dbraw/zinc/22/69/94/607226994.db2.gz APXGDBRRSHLBRJ-UHFFFAOYSA-N -1 3 373.289 3.114 20 0 FGADHM O=C(Nc1ccc(C(F)(F)F)cc1)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000823323170 607232107 /nfs/dbraw/zinc/23/21/07/607232107.db2.gz FBKYHJSDVDIXRU-UHFFFAOYSA-N -1 3 368.706 3.186 20 0 FGADHM O=C(Nc1ccc(C(F)(F)F)cc1)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000823323170 607232108 /nfs/dbraw/zinc/23/21/08/607232108.db2.gz FBKYHJSDVDIXRU-UHFFFAOYSA-N -1 3 368.706 3.186 20 0 FGADHM CCN(CC)c1ccc(NC(=O)c2ncc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000821196959 607232788 /nfs/dbraw/zinc/23/27/88/607232788.db2.gz DIBAWULITJLGOV-UHFFFAOYSA-N -1 3 371.832 3.014 20 0 FGADHM CCN(CC)c1ccc(NC(=O)c2ncc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000821196959 607232789 /nfs/dbraw/zinc/23/27/89/607232789.db2.gz DIBAWULITJLGOV-UHFFFAOYSA-N -1 3 371.832 3.014 20 0 FGADHM Cc1cc(C)c(OCC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)c(C)c1 ZINC000822194490 607241604 /nfs/dbraw/zinc/24/16/04/607241604.db2.gz ZXMJVAJCQXAUBD-UHFFFAOYSA-N -1 3 371.828 3.463 20 0 FGADHM Cc1cc(C)c(OCC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)c(C)c1 ZINC000822194490 607241605 /nfs/dbraw/zinc/24/16/05/607241605.db2.gz ZXMJVAJCQXAUBD-UHFFFAOYSA-N -1 3 371.828 3.463 20 0 FGADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)[C@@H]1CCSc2ccccc21 ZINC000823449740 607245705 /nfs/dbraw/zinc/24/57/05/607245705.db2.gz BEHXSXJMDBYJGA-GFCCVEGCSA-N -1 3 356.382 3.191 20 0 FGADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)[C@@H]1CCSc2ccccc21 ZINC000823449740 607245706 /nfs/dbraw/zinc/24/57/06/607245706.db2.gz BEHXSXJMDBYJGA-GFCCVEGCSA-N -1 3 356.382 3.191 20 0 FGADHM O=C(COc1ccccc1-c1nnn[n-]1)Nc1cccc2ccsc21 ZINC000826419126 607772461 /nfs/dbraw/zinc/77/24/61/607772461.db2.gz KBCGCXKPUVMFBG-UHFFFAOYSA-N -1 3 351.391 3.099 20 0 FGADHM O=C(COc1ccccc1-c1nn[n-]n1)Nc1cccc2ccsc21 ZINC000826419126 607772462 /nfs/dbraw/zinc/77/24/62/607772462.db2.gz KBCGCXKPUVMFBG-UHFFFAOYSA-N -1 3 351.391 3.099 20 0 FGADHM Cc1ccc(C(C)C)cc1OCC(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC000826282713 607787549 /nfs/dbraw/zinc/78/75/49/607787549.db2.gz AYGPSHNZSFVARN-UHFFFAOYSA-N -1 3 365.437 3.340 20 0 FGADHM Cc1ccc(C(C)C)cc1OCC(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC000826282713 607787550 /nfs/dbraw/zinc/78/75/50/607787550.db2.gz AYGPSHNZSFVARN-UHFFFAOYSA-N -1 3 365.437 3.340 20 0 FGADHM Cc1cc(Br)ccc1C(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC000826256692 607787681 /nfs/dbraw/zinc/78/76/81/607787681.db2.gz WHCGURKDZJTWDU-UHFFFAOYSA-N -1 3 372.226 3.214 20 0 FGADHM Cc1cc(Br)ccc1C(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC000826256692 607787682 /nfs/dbraw/zinc/78/76/82/607787682.db2.gz WHCGURKDZJTWDU-UHFFFAOYSA-N -1 3 372.226 3.214 20 0 FGADHM CN(C(=O)c1cc2c(cccc2F)s1)c1ccccc1-c1nnn[n-]1 ZINC000825826025 607790737 /nfs/dbraw/zinc/79/07/37/607790737.db2.gz SHBGCRXMMQPORD-UHFFFAOYSA-N -1 3 353.382 3.497 20 0 FGADHM CN(C(=O)c1cc2c(cccc2F)s1)c1ccccc1-c1nn[n-]n1 ZINC000825826025 607790738 /nfs/dbraw/zinc/79/07/38/607790738.db2.gz SHBGCRXMMQPORD-UHFFFAOYSA-N -1 3 353.382 3.497 20 0 FGADHM CCN(C(=O)c1cc2cccc(F)c2o1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825380477 607798363 /nfs/dbraw/zinc/79/83/63/607798363.db2.gz OWPAANDQUADURB-UHFFFAOYSA-N -1 3 351.341 3.419 20 0 FGADHM CCN(C(=O)c1cc2cccc(F)c2o1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825380477 607798364 /nfs/dbraw/zinc/79/83/64/607798364.db2.gz OWPAANDQUADURB-UHFFFAOYSA-N -1 3 351.341 3.419 20 0 FGADHM CCC(CC)n1nccc1C(=O)N(CC)c1ccc(-c2nnn[n-]2)cc1 ZINC000825114904 607798647 /nfs/dbraw/zinc/79/86/47/607798647.db2.gz RFQRRPBCBSPEBE-UHFFFAOYSA-N -1 3 353.430 3.091 20 0 FGADHM CCC(CC)n1nccc1C(=O)N(CC)c1ccc(-c2nn[n-]n2)cc1 ZINC000825114904 607798648 /nfs/dbraw/zinc/79/86/48/607798648.db2.gz RFQRRPBCBSPEBE-UHFFFAOYSA-N -1 3 353.430 3.091 20 0 FGADHM CCCC(CCC)C(=O)OCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000825242179 607804806 /nfs/dbraw/zinc/80/48/06/607804806.db2.gz KDLDPUOQQQMLIC-UHFFFAOYSA-N -1 3 370.413 3.176 20 0 FGADHM CCCC(CCC)C(=O)OCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000825242179 607804807 /nfs/dbraw/zinc/80/48/07/607804807.db2.gz KDLDPUOQQQMLIC-UHFFFAOYSA-N -1 3 370.413 3.176 20 0 FGADHM CC(C)(C)SCCCC(=O)OCc1cc(-c2nnn[n-]2)ccc1F ZINC000824123934 607826186 /nfs/dbraw/zinc/82/61/86/607826186.db2.gz NLWJYPSEDPTGJF-UHFFFAOYSA-N -1 3 352.435 3.361 20 0 FGADHM CC(C)(C)SCCCC(=O)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000824123934 607826187 /nfs/dbraw/zinc/82/61/87/607826187.db2.gz NLWJYPSEDPTGJF-UHFFFAOYSA-N -1 3 352.435 3.361 20 0 FGADHM COc1ccc2cccc(CC(=O)Oc3ccc(-c4nnn[n-]4)cc3)c2c1 ZINC000826213691 607826565 /nfs/dbraw/zinc/82/65/65/607826565.db2.gz IBROCTVYIPLLJW-UHFFFAOYSA-N -1 3 360.373 3.177 20 0 FGADHM COc1ccc2cccc(CC(=O)Oc3ccc(-c4nn[n-]n4)cc3)c2c1 ZINC000826213691 607826566 /nfs/dbraw/zinc/82/65/66/607826566.db2.gz IBROCTVYIPLLJW-UHFFFAOYSA-N -1 3 360.373 3.177 20 0 FGADHM CC(C)(C)O[C@@H](C(=O)Oc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000824119146 607830383 /nfs/dbraw/zinc/83/03/83/607830383.db2.gz BVTDUALJVXLATA-MRXNPFEDSA-N -1 3 370.384 3.468 20 0 FGADHM CC(C)(C)O[C@@H](C(=O)Oc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000824119146 607830384 /nfs/dbraw/zinc/83/03/84/607830384.db2.gz BVTDUALJVXLATA-MRXNPFEDSA-N -1 3 370.384 3.468 20 0 FGADHM C[C@@H]1CSc2ccccc2N(C(=O)c2cc(-c3nnn[n-]3)cs2)C1 ZINC000825013746 607830439 /nfs/dbraw/zinc/83/04/39/607830439.db2.gz RHLKQHNRVVUHTL-JTQLQIEISA-N -1 3 357.464 3.317 20 0 FGADHM C[C@@H]1CSc2ccccc2N(C(=O)c2cc(-c3nn[n-]n3)cs2)C1 ZINC000825013746 607830440 /nfs/dbraw/zinc/83/04/40/607830440.db2.gz RHLKQHNRVVUHTL-JTQLQIEISA-N -1 3 357.464 3.317 20 0 FGADHM O=C(NCc1ccccc1F)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000826443240 607833723 /nfs/dbraw/zinc/83/37/23/607833723.db2.gz HKVLLQWIPYQQCT-UHFFFAOYSA-N -1 3 366.183 3.243 20 0 FGADHM O=C(NCc1ccccc1F)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000826443240 607833724 /nfs/dbraw/zinc/83/37/24/607833724.db2.gz HKVLLQWIPYQQCT-UHFFFAOYSA-N -1 3 366.183 3.243 20 0 FGADHM CCc1cnc(CCNc2ccc3cc(-c4nnn[n-]4)ccc3n2)s1 ZINC000825733309 607842638 /nfs/dbraw/zinc/84/26/38/607842638.db2.gz BNDULLHTEFAEPU-UHFFFAOYSA-N -1 3 351.439 3.088 20 0 FGADHM CCc1cnc(CCNc2ccc3cc(-c4nn[n-]n4)ccc3n2)s1 ZINC000825733309 607842639 /nfs/dbraw/zinc/84/26/39/607842639.db2.gz BNDULLHTEFAEPU-UHFFFAOYSA-N -1 3 351.439 3.088 20 0 FGADHM CC(C)(C)c1noc(CSc2ccc(-c3nnn[n-]3)cc2Cl)n1 ZINC000824141980 607844112 /nfs/dbraw/zinc/84/41/12/607844112.db2.gz QGEHCPNVPNPJJV-UHFFFAOYSA-N -1 3 350.835 3.493 20 0 FGADHM CC(C)(C)c1noc(CSc2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000824141980 607844113 /nfs/dbraw/zinc/84/41/13/607844113.db2.gz QGEHCPNVPNPJJV-UHFFFAOYSA-N -1 3 350.835 3.493 20 0 FGADHM CCC[C@@H](C)NC(=O)[C@@H](C)Sc1ccc(-c2nnn[n-]2)cc1Cl ZINC000825233515 607844621 /nfs/dbraw/zinc/84/46/21/607844621.db2.gz QJLGAGOKJNRJTB-NXEZZACHSA-N -1 3 353.879 3.306 20 0 FGADHM CCC[C@@H](C)NC(=O)[C@@H](C)Sc1ccc(-c2nn[n-]n2)cc1Cl ZINC000825233515 607844622 /nfs/dbraw/zinc/84/46/22/607844622.db2.gz QJLGAGOKJNRJTB-NXEZZACHSA-N -1 3 353.879 3.306 20 0 FGADHM COc1ccc(COC(=O)c2cccc(C)c2Cl)cc1-c1nnn[n-]1 ZINC000826206543 607857147 /nfs/dbraw/zinc/85/71/47/607857147.db2.gz YYPPCJOHHYGEEX-UHFFFAOYSA-N -1 3 358.785 3.194 20 0 FGADHM COc1ccc(COC(=O)c2cccc(C)c2Cl)cc1-c1nn[n-]n1 ZINC000826206543 607857148 /nfs/dbraw/zinc/85/71/48/607857148.db2.gz YYPPCJOHHYGEEX-UHFFFAOYSA-N -1 3 358.785 3.194 20 0 FGADHM Cc1ccc(C(=O)OCc2ccccc2-c2nnn[n-]2)c(Br)c1 ZINC000826282171 607857379 /nfs/dbraw/zinc/85/73/79/607857379.db2.gz BJIUYCWTGKXJHH-UHFFFAOYSA-N -1 3 373.210 3.295 20 0 FGADHM Cc1ccc(C(=O)OCc2ccccc2-c2nn[n-]n2)c(Br)c1 ZINC000826282171 607857380 /nfs/dbraw/zinc/85/73/80/607857380.db2.gz BJIUYCWTGKXJHH-UHFFFAOYSA-N -1 3 373.210 3.295 20 0 FGADHM O[C@@H](COc1cccc(Cl)c1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000826505110 607869853 /nfs/dbraw/zinc/86/98/53/607869853.db2.gz MUYRTGNGXRLZNE-LBPRGKRZSA-N -1 3 351.193 3.286 20 0 FGADHM O[C@@H](COc1cccc(Cl)c1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000826505110 607869854 /nfs/dbraw/zinc/86/98/54/607869854.db2.gz MUYRTGNGXRLZNE-LBPRGKRZSA-N -1 3 351.193 3.286 20 0 FGADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)O[C@@H](C(C)(C)C)C(F)(F)F ZINC000824755834 607877784 /nfs/dbraw/zinc/87/77/84/607877784.db2.gz LOXNLGUUMYKEOK-XPTSAGLGSA-N -1 3 372.347 3.154 20 0 FGADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)O[C@@H](C(C)(C)C)C(F)(F)F ZINC000824755834 607877785 /nfs/dbraw/zinc/87/77/85/607877785.db2.gz LOXNLGUUMYKEOK-XPTSAGLGSA-N -1 3 372.347 3.154 20 0 FGADHM CC(=Cc1ccccc1Cl)C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000823943185 607881234 /nfs/dbraw/zinc/88/12/34/607881234.db2.gz OUYJAIRPDJGEQK-XFXZXTDPSA-N -1 3 353.813 3.240 20 0 FGADHM CC(=Cc1ccccc1Cl)C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000823943185 607881235 /nfs/dbraw/zinc/88/12/35/607881235.db2.gz OUYJAIRPDJGEQK-XFXZXTDPSA-N -1 3 353.813 3.240 20 0 FGADHM CC(C)(C)C[C@H](NC(=O)Cn1ccc(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC000824087596 607892127 /nfs/dbraw/zinc/89/21/27/607892127.db2.gz YOARRWJUHIKGHN-INIZCTEOSA-N -1 3 370.432 3.101 20 0 FGADHM CC(C)(C)C[C@H](NC(=O)Cn1ccc(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC000824087596 607892128 /nfs/dbraw/zinc/89/21/28/607892128.db2.gz YOARRWJUHIKGHN-INIZCTEOSA-N -1 3 370.432 3.101 20 0 FGADHM C[C@@H](Nc1cc(Cl)ccc1-c1nnn[n-]1)c1ccc([S@@](C)=O)cc1 ZINC000824649098 607902731 /nfs/dbraw/zinc/90/27/31/607902731.db2.gz LGUODSCJZDTRAO-VKTRGTBVSA-N -1 3 361.858 3.431 20 0 FGADHM C[C@@H](Nc1cc(Cl)ccc1-c1nn[n-]n1)c1ccc([S@@](C)=O)cc1 ZINC000824649098 607902732 /nfs/dbraw/zinc/90/27/32/607902732.db2.gz LGUODSCJZDTRAO-VKTRGTBVSA-N -1 3 361.858 3.431 20 0 FGADHM Cc1cc(C)cc(C2(C(=O)N3CCc4ccc(-c5nnn[n-]5)cc43)CC2)c1 ZINC000826264640 607949215 /nfs/dbraw/zinc/94/92/15/607949215.db2.gz VCBUFAIUKBMBQB-UHFFFAOYSA-N -1 3 359.433 3.104 20 0 FGADHM Cc1cc(C)cc(C2(C(=O)N3CCc4ccc(-c5nn[n-]n5)cc43)CC2)c1 ZINC000826264640 607949216 /nfs/dbraw/zinc/94/92/16/607949216.db2.gz VCBUFAIUKBMBQB-UHFFFAOYSA-N -1 3 359.433 3.104 20 0 FGADHM Cc1ccc([C@H]2C[C@@H](OC(=O)c3ccc(-c4nnn[n-]4)cc3)CCO2)cc1 ZINC000826285118 607950911 /nfs/dbraw/zinc/95/09/11/607950911.db2.gz PQSKLQNSAIDOCY-ZWKOTPCHSA-N -1 3 364.405 3.252 20 0 FGADHM Cc1ccc([C@H]2C[C@@H](OC(=O)c3ccc(-c4nn[n-]n4)cc3)CCO2)cc1 ZINC000826285118 607950912 /nfs/dbraw/zinc/95/09/12/607950912.db2.gz PQSKLQNSAIDOCY-ZWKOTPCHSA-N -1 3 364.405 3.252 20 0 FGADHM C[C@@H]1CCc2sc(C(=O)N3CCc4ccc(-c5nnn[n-]5)cc43)cc2C1 ZINC000824967869 607951434 /nfs/dbraw/zinc/95/14/34/607951434.db2.gz NTTHLYPKXIHLJT-LLVKDONJSA-N -1 3 365.462 3.256 20 0 FGADHM C[C@@H]1CCc2sc(C(=O)N3CCc4ccc(-c5nn[n-]n5)cc43)cc2C1 ZINC000824967869 607951435 /nfs/dbraw/zinc/95/14/35/607951435.db2.gz NTTHLYPKXIHLJT-LLVKDONJSA-N -1 3 365.462 3.256 20 0 FGADHM C[C@@H](C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21)c1ccc(Cl)s1 ZINC000824040692 607951477 /nfs/dbraw/zinc/95/14/77/607951477.db2.gz TUUSYDDLWYZDRP-SECBINFHSA-N -1 3 359.842 3.274 20 0 FGADHM C[C@@H](C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21)c1ccc(Cl)s1 ZINC000824040692 607951478 /nfs/dbraw/zinc/95/14/78/607951478.db2.gz TUUSYDDLWYZDRP-SECBINFHSA-N -1 3 359.842 3.274 20 0 FGADHM CCc1nc2sccc2c(NCc2ccc(OC)c(-c3nnn[n-]3)c2)n1 ZINC000825749805 607966486 /nfs/dbraw/zinc/96/64/86/607966486.db2.gz IAXIJIMFCZOKMC-UHFFFAOYSA-N -1 3 367.438 3.055 20 0 FGADHM CCc1nc2sccc2c(NCc2ccc(OC)c(-c3nn[n-]n3)c2)n1 ZINC000825749805 607966487 /nfs/dbraw/zinc/96/64/87/607966487.db2.gz IAXIJIMFCZOKMC-UHFFFAOYSA-N -1 3 367.438 3.055 20 0 FGADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)c1cnc2ccc(F)cc2c1 ZINC000826453625 607967430 /nfs/dbraw/zinc/96/74/30/607967430.db2.gz SDYDSYUYXAWSPA-UHFFFAOYSA-N -1 3 368.759 3.460 20 0 FGADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)c1cnc2ccc(F)cc2c1 ZINC000826453625 607967431 /nfs/dbraw/zinc/96/74/31/607967431.db2.gz SDYDSYUYXAWSPA-UHFFFAOYSA-N -1 3 368.759 3.460 20 0 FGADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OCc1csc(C2CC2)n1 ZINC000826167452 607971841 /nfs/dbraw/zinc/97/18/41/607971841.db2.gz DXRDQYOYKAHWPL-UHFFFAOYSA-N -1 3 363.830 3.442 20 0 FGADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OCc1csc(C2CC2)n1 ZINC000826167452 607971842 /nfs/dbraw/zinc/97/18/42/607971842.db2.gz DXRDQYOYKAHWPL-UHFFFAOYSA-N -1 3 363.830 3.442 20 0 FGADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1-c1ccc(-n2ccnc2)cc1 ZINC000825782626 607975871 /nfs/dbraw/zinc/97/58/71/607975871.db2.gz JKWKAPIUSXUVPW-UHFFFAOYSA-N -1 3 356.393 3.089 20 0 FGADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1ccc(-n2ccnc2)cc1 ZINC000825782626 607975872 /nfs/dbraw/zinc/97/58/72/607975872.db2.gz JKWKAPIUSXUVPW-UHFFFAOYSA-N -1 3 356.393 3.089 20 0 FGADHM Cc1nc2[nH]c(-c3ccc(-c4nnn[n-]4)cc3F)nc2cc1Br ZINC000826329230 607976151 /nfs/dbraw/zinc/97/61/51/607976151.db2.gz VCVCQYDKEGRHSO-UHFFFAOYSA-N -1 3 374.177 3.015 20 0 FGADHM Cc1nc2[nH]c(-c3ccc(-c4nn[n-]n4)cc3F)nc2cc1Br ZINC000826329230 607976152 /nfs/dbraw/zinc/97/61/52/607976152.db2.gz VCVCQYDKEGRHSO-UHFFFAOYSA-N -1 3 374.177 3.015 20 0 FGADHM CC(C)c1ccc([C@H]2CCCN2C(=O)c2cc(-c3nnn[n-]3)c[nH]2)cc1 ZINC000824347607 607976943 /nfs/dbraw/zinc/97/69/43/607976943.db2.gz GUEWYACVQXMQHT-QGZVFWFLSA-N -1 3 350.426 3.296 20 0 FGADHM CC(C)c1ccc([C@H]2CCCN2C(=O)c2cc(-c3nn[n-]n3)c[nH]2)cc1 ZINC000824347607 607976944 /nfs/dbraw/zinc/97/69/44/607976944.db2.gz GUEWYACVQXMQHT-QGZVFWFLSA-N -1 3 350.426 3.296 20 0 FGADHM C[C@@H](NC(=O)c1cc(C2CCCCC2)n[nH]1)c1cccc(-c2nnn[n-]2)c1 ZINC000824514167 607986326 /nfs/dbraw/zinc/98/63/26/607986326.db2.gz MJVYWVAKELUZKM-GFCCVEGCSA-N -1 3 365.441 3.129 20 0 FGADHM C[C@@H](NC(=O)c1cc(C2CCCCC2)n[nH]1)c1cccc(-c2nn[n-]n2)c1 ZINC000824514167 607986327 /nfs/dbraw/zinc/98/63/27/607986327.db2.gz MJVYWVAKELUZKM-GFCCVEGCSA-N -1 3 365.441 3.129 20 0 FGADHM COC1CCC(CC(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)CC1 ZINC000826144738 608006530 /nfs/dbraw/zinc/00/65/30/608006530.db2.gz QWILVNSJEIZNAP-UHFFFAOYSA-N -1 3 363.849 3.078 20 0 FGADHM COC1CCC(CC(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)CC1 ZINC000826144738 608006531 /nfs/dbraw/zinc/00/65/31/608006531.db2.gz QWILVNSJEIZNAP-UHFFFAOYSA-N -1 3 363.849 3.078 20 0 FGADHM CC1(C)CN(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)Cc2ccccc21 ZINC000824808554 608006789 /nfs/dbraw/zinc/00/67/89/608006789.db2.gz VCTOLKDBXKYHDC-UHFFFAOYSA-N -1 3 366.400 3.331 20 0 FGADHM CC1(C)CN(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)Cc2ccccc21 ZINC000824808554 608006790 /nfs/dbraw/zinc/00/67/90/608006790.db2.gz VCTOLKDBXKYHDC-UHFFFAOYSA-N -1 3 366.400 3.331 20 0 FGADHM CC(C)c1ccc([C@H]2CCCN2C(=O)c2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000824347883 608008143 /nfs/dbraw/zinc/00/81/43/608008143.db2.gz QQIBQAVDIZUJHW-GOSISDBHSA-N -1 3 362.437 3.362 20 0 FGADHM CC(C)c1ccc([C@H]2CCCN2C(=O)c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000824347883 608008144 /nfs/dbraw/zinc/00/81/44/608008144.db2.gz QQIBQAVDIZUJHW-GOSISDBHSA-N -1 3 362.437 3.362 20 0 FGADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCC2)c1scnc1C1CC1 ZINC000826460637 608024374 /nfs/dbraw/zinc/02/43/74/608024374.db2.gz LKVVCHHASVPNEV-UHFFFAOYSA-N -1 3 372.479 3.393 20 0 FGADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCC2)c1scnc1C1CC1 ZINC000826460637 608024375 /nfs/dbraw/zinc/02/43/75/608024375.db2.gz LKVVCHHASVPNEV-UHFFFAOYSA-N -1 3 372.479 3.393 20 0 FGADHM O=C(NC1(c2ccc(F)cc2F)CCCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000826427253 608031663 /nfs/dbraw/zinc/03/16/63/608031663.db2.gz KRTPIXIEQUWKJQ-UHFFFAOYSA-N -1 3 369.375 3.344 20 0 FGADHM O=C(NC1(c2ccc(F)cc2F)CCCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000826427253 608031664 /nfs/dbraw/zinc/03/16/64/608031664.db2.gz KRTPIXIEQUWKJQ-UHFFFAOYSA-N -1 3 369.375 3.344 20 0 FGADHM Brc1cc(-c2nn[n-]n2)ccc1N1CCC[C@@H]1c1cccnc1 ZINC000823826841 608047144 /nfs/dbraw/zinc/04/71/44/608047144.db2.gz PPNMKYGENGTZQI-CQSZACIVSA-N -1 3 371.242 3.366 20 0 FGADHM CCN(C(=O)c1cccc(OC)c1F)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825385861 608058220 /nfs/dbraw/zinc/05/82/20/608058220.db2.gz UMWVUQKUCAVUQI-LBPRGKRZSA-N -1 3 369.400 3.238 20 0 FGADHM CCN(C(=O)c1cccc(OC)c1F)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825385861 608058221 /nfs/dbraw/zinc/05/82/21/608058221.db2.gz UMWVUQKUCAVUQI-LBPRGKRZSA-N -1 3 369.400 3.238 20 0 FGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N1C[C@@H](C)CC[C@@H]1C ZINC000824910675 608078139 /nfs/dbraw/zinc/07/81/39/608078139.db2.gz XZISVWWJYXEXQE-STQMWFEESA-N -1 3 358.446 3.306 20 0 FGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N1C[C@@H](C)CC[C@@H]1C ZINC000824910675 608078140 /nfs/dbraw/zinc/07/81/40/608078140.db2.gz XZISVWWJYXEXQE-STQMWFEESA-N -1 3 358.446 3.306 20 0 FGADHM O=C(NCC1(c2ccccc2Cl)CC1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000826434804 608112531 /nfs/dbraw/zinc/11/25/31/608112531.db2.gz YBEOPHHLXGKFRZ-UHFFFAOYSA-N -1 3 368.828 3.373 20 0 FGADHM O=C(NCC1(c2ccccc2Cl)CC1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000826434804 608112532 /nfs/dbraw/zinc/11/25/32/608112532.db2.gz YBEOPHHLXGKFRZ-UHFFFAOYSA-N -1 3 368.828 3.373 20 0 FGADHM CC(C)CN(C(=O)c1cc(C(C)C)on1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824255620 608119668 /nfs/dbraw/zinc/11/96/68/608119668.db2.gz QEWSVZIDIUKYRQ-UHFFFAOYSA-N -1 3 354.414 3.281 20 0 FGADHM CC(C)CN(C(=O)c1cc(C(C)C)on1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824255620 608119669 /nfs/dbraw/zinc/11/96/69/608119669.db2.gz QEWSVZIDIUKYRQ-UHFFFAOYSA-N -1 3 354.414 3.281 20 0 FGADHM CCC[C@H](C(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1)C(C)C ZINC000825226186 608120862 /nfs/dbraw/zinc/12/08/62/608120862.db2.gz YVKWUVZJYWHMAK-SFHVURJKSA-N -1 3 371.485 3.309 20 0 FGADHM CCC[C@H](C(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1)C(C)C ZINC000825226186 608120863 /nfs/dbraw/zinc/12/08/63/608120863.db2.gz YVKWUVZJYWHMAK-SFHVURJKSA-N -1 3 371.485 3.309 20 0 FGADHM O=C(c1ccccc1-c1ccccc1-c1nnn[n-]1)N1CC[C@@H](C2CC2)C1 ZINC000826474453 608121959 /nfs/dbraw/zinc/12/19/59/608121959.db2.gz QOEWNGIDLIAFRV-OAHLLOKOSA-N -1 3 359.433 3.406 20 0 FGADHM O=C(c1ccccc1-c1ccccc1-c1nn[n-]n1)N1CC[C@@H](C2CC2)C1 ZINC000826474453 608121960 /nfs/dbraw/zinc/12/19/60/608121960.db2.gz QOEWNGIDLIAFRV-OAHLLOKOSA-N -1 3 359.433 3.406 20 0 FGADHM CC(C)(C)[C@H]1C[C@@H](Nc2cc(-c3nnn[n-]3)c3ccccc3n2)CCO1 ZINC000824079262 608149847 /nfs/dbraw/zinc/14/98/47/608149847.db2.gz NYMVRIAGSIAEOD-BLLLJJGKSA-N -1 3 352.442 3.421 20 0 FGADHM CC(C)(C)[C@H]1C[C@@H](Nc2cc(-c3nn[n-]n3)c3ccccc3n2)CCO1 ZINC000824079262 608149849 /nfs/dbraw/zinc/14/98/49/608149849.db2.gz NYMVRIAGSIAEOD-BLLLJJGKSA-N -1 3 352.442 3.421 20 0 FGADHM Clc1cccc(-c2nnn[n-]2)c1N1CCC(Cc2cccnc2)CC1 ZINC000826352946 608194269 /nfs/dbraw/zinc/19/42/69/608194269.db2.gz UZBGNQIHEXJLND-UHFFFAOYSA-N -1 3 354.845 3.374 20 0 FGADHM Clc1cccc(-c2nn[n-]n2)c1N1CCC(Cc2cccnc2)CC1 ZINC000826352946 608194270 /nfs/dbraw/zinc/19/42/70/608194270.db2.gz UZBGNQIHEXJLND-UHFFFAOYSA-N -1 3 354.845 3.374 20 0 FGADHM c1ccc2c(c1)nc(-c1nnn[n-]1)cc2N1CCC(Cc2cccnc2)CC1 ZINC000826525202 608195086 /nfs/dbraw/zinc/19/50/86/608195086.db2.gz AHJSQORHZIMPPU-UHFFFAOYSA-N -1 3 371.448 3.269 20 0 FGADHM O=C(c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1)N1CC[C@@H](C2CC2)C1 ZINC000826474546 608209058 /nfs/dbraw/zinc/20/90/58/608209058.db2.gz VJARQLDKSREQAU-QGZVFWFLSA-N -1 3 374.448 3.482 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C=C1CCSCC1 ZINC000825314084 608219765 /nfs/dbraw/zinc/21/97/65/608219765.db2.gz WVNQVBOWQREKJD-UHFFFAOYSA-N -1 3 357.483 3.059 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C=C1CCSCC1 ZINC000825314084 608219767 /nfs/dbraw/zinc/21/97/67/608219767.db2.gz WVNQVBOWQREKJD-UHFFFAOYSA-N -1 3 357.483 3.059 20 0 FGADHM CN(Cc1ccc(F)c(F)c1)c1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000825966303 608222083 /nfs/dbraw/zinc/22/20/83/608222083.db2.gz XAVBCJSDEVYGSL-UHFFFAOYSA-N -1 3 352.348 3.330 20 0 FGADHM CN(Cc1ccc(F)c(F)c1)c1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000825966303 608222085 /nfs/dbraw/zinc/22/20/85/608222085.db2.gz XAVBCJSDEVYGSL-UHFFFAOYSA-N -1 3 352.348 3.330 20 0 FGADHM Fc1ccc2c(c1)[C@@H](Nc1ccc3cc(-c4nnn[n-]4)ccc3n1)CCO2 ZINC000826376101 608227456 /nfs/dbraw/zinc/22/74/56/608227456.db2.gz OVGNPAIIFJATNV-INIZCTEOSA-N -1 3 362.368 3.490 20 0 FGADHM Fc1ccc2c(c1)[C@@H](Nc1ccc3cc(-c4nn[n-]n4)ccc3n1)CCO2 ZINC000826376101 608227457 /nfs/dbraw/zinc/22/74/57/608227457.db2.gz OVGNPAIIFJATNV-INIZCTEOSA-N -1 3 362.368 3.490 20 0 FGADHM Cc1ncc2c(n1)CCC[C@@H]2Nc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000826330367 608229046 /nfs/dbraw/zinc/22/90/46/608229046.db2.gz RJNKPGRFMZIZDO-KRWDZBQOSA-N -1 3 358.409 3.003 20 0 FGADHM Cc1ncc2c(n1)CCC[C@@H]2Nc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000826330367 608229048 /nfs/dbraw/zinc/22/90/48/608229048.db2.gz RJNKPGRFMZIZDO-KRWDZBQOSA-N -1 3 358.409 3.003 20 0 FGADHM C[C@@H](COCc1ccccc1)Nc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000824440499 608229330 /nfs/dbraw/zinc/22/93/30/608229330.db2.gz DGGORJSQQAVSQI-AWEZNQCLSA-N -1 3 360.421 3.432 20 0 FGADHM C[C@@H](COCc1ccccc1)Nc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000824440499 608229331 /nfs/dbraw/zinc/22/93/31/608229331.db2.gz DGGORJSQQAVSQI-AWEZNQCLSA-N -1 3 360.421 3.432 20 0 FGADHM C[C@H](CNc1ccc2cc(-c3nnn[n-]3)ccc2n1)Oc1ccccc1F ZINC000824433454 608229743 /nfs/dbraw/zinc/22/97/43/608229743.db2.gz FFEWRJSHTRHEEP-GFCCVEGCSA-N -1 3 364.384 3.433 20 0 FGADHM C[C@H](CNc1ccc2cc(-c3nn[n-]n3)ccc2n1)Oc1ccccc1F ZINC000824433454 608229745 /nfs/dbraw/zinc/22/97/45/608229745.db2.gz FFEWRJSHTRHEEP-GFCCVEGCSA-N -1 3 364.384 3.433 20 0 FGADHM Cc1cc(C)c(-c2nnn[n-]2)c(NCCc2csc(C(C)(C)C)n2)n1 ZINC000826263395 608230869 /nfs/dbraw/zinc/23/08/69/608230869.db2.gz YWUVGQFIAPBFAR-UHFFFAOYSA-N -1 3 357.487 3.287 20 0 FGADHM Cc1cc(C)c(-c2nn[n-]n2)c(NCCc2csc(C(C)(C)C)n2)n1 ZINC000826263395 608230872 /nfs/dbraw/zinc/23/08/72/608230872.db2.gz YWUVGQFIAPBFAR-UHFFFAOYSA-N -1 3 357.487 3.287 20 0 FGADHM CCc1ccc(C2=CCN(C(=O)Cc3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000825704885 608246209 /nfs/dbraw/zinc/24/62/09/608246209.db2.gz OYAKDSTWDFIGBT-UHFFFAOYSA-N -1 3 373.460 3.288 20 0 FGADHM CCc1ccc(C2=CCN(C(=O)Cc3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000825704885 608246210 /nfs/dbraw/zinc/24/62/10/608246210.db2.gz OYAKDSTWDFIGBT-UHFFFAOYSA-N -1 3 373.460 3.288 20 0 FGADHM CC(C)(C)Oc1cc(F)ccc1NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000824119084 608250780 /nfs/dbraw/zinc/25/07/80/608250780.db2.gz BEEQFWHKPRBRCH-UHFFFAOYSA-N -1 3 361.402 3.497 20 0 FGADHM CC(C)(C)Oc1cc(F)ccc1NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000824119084 608250782 /nfs/dbraw/zinc/25/07/82/608250782.db2.gz BEEQFWHKPRBRCH-UHFFFAOYSA-N -1 3 361.402 3.497 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(Cl)c(F)c1 ZINC000826465667 608254766 /nfs/dbraw/zinc/25/47/66/608254766.db2.gz WRRTUWWUOOZWEZ-UHFFFAOYSA-N -1 3 350.712 3.155 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(Cl)c(F)c1 ZINC000826465667 608254767 /nfs/dbraw/zinc/25/47/67/608254767.db2.gz WRRTUWWUOOZWEZ-UHFFFAOYSA-N -1 3 350.712 3.155 20 0 FGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)Nc1ccc(C2CC2)cc1 ZINC000826441523 608273697 /nfs/dbraw/zinc/27/36/97/608273697.db2.gz IHVCJOALQBPFKI-UHFFFAOYSA-N -1 3 352.373 3.205 20 0 FGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)Nc1ccc(C2CC2)cc1 ZINC000826441523 608273699 /nfs/dbraw/zinc/27/36/99/608273699.db2.gz IHVCJOALQBPFKI-UHFFFAOYSA-N -1 3 352.373 3.205 20 0 FGADHM CCN(C(=O)Cc1ccc(C)c(O)c1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825377194 608280142 /nfs/dbraw/zinc/28/01/42/608280142.db2.gz WKTVTCAXHKZAMC-CQSZACIVSA-N -1 3 365.437 3.033 20 0 FGADHM CCN(C(=O)Cc1ccc(C)c(O)c1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825377194 608280144 /nfs/dbraw/zinc/28/01/44/608280144.db2.gz WKTVTCAXHKZAMC-CQSZACIVSA-N -1 3 365.437 3.033 20 0 FGADHM Fc1ccc(NCc2ccc(-c3nnn[n-]3)cc2F)c(OCC(F)F)c1 ZINC000826375240 608292068 /nfs/dbraw/zinc/29/20/68/608292068.db2.gz FATQGGDTTIHTSY-UHFFFAOYSA-N -1 3 367.306 3.401 20 0 FGADHM Fc1ccc(NCc2ccc(-c3nn[n-]n3)cc2F)c(OCC(F)F)c1 ZINC000826375240 608292070 /nfs/dbraw/zinc/29/20/70/608292070.db2.gz FATQGGDTTIHTSY-UHFFFAOYSA-N -1 3 367.306 3.401 20 0 FGADHM Cc1ccc(C(=O)NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)cn1 ZINC000826281622 608305587 /nfs/dbraw/zinc/30/55/87/608305587.db2.gz BZYBXUPHPDMVEA-UHFFFAOYSA-N -1 3 370.416 3.167 20 0 FGADHM Cc1ccc(C(=O)NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)cn1 ZINC000826281622 608305588 /nfs/dbraw/zinc/30/55/88/608305588.db2.gz BZYBXUPHPDMVEA-UHFFFAOYSA-N -1 3 370.416 3.167 20 0 FGADHM CC(C)Cn1ncc(NC(=O)c2cccc(-c3nnn[n-]3)c2)c1C(C)C ZINC000824284140 608312072 /nfs/dbraw/zinc/31/20/72/608312072.db2.gz CIAGAMVDVPCZFF-UHFFFAOYSA-N -1 3 353.430 3.095 20 0 FGADHM CC(C)Cn1ncc(NC(=O)c2cccc(-c3nn[n-]n3)c2)c1C(C)C ZINC000824284140 608312073 /nfs/dbraw/zinc/31/20/73/608312073.db2.gz CIAGAMVDVPCZFF-UHFFFAOYSA-N -1 3 353.430 3.095 20 0 FGADHM C[C@H](COCc1ccccc1)OC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000824442425 608332957 /nfs/dbraw/zinc/33/29/57/608332957.db2.gz VZPFGOYRHNMKMB-AYJWMTRPSA-N -1 3 364.405 3.028 20 0 FGADHM C[C@H](COCc1ccccc1)OC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000824442425 608332958 /nfs/dbraw/zinc/33/29/58/608332958.db2.gz VZPFGOYRHNMKMB-AYJWMTRPSA-N -1 3 364.405 3.028 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)c1sccc1SC ZINC000826173119 608351750 /nfs/dbraw/zinc/35/17/50/608351750.db2.gz OALQRBOIPWZHPF-UHFFFAOYSA-N -1 3 362.436 3.016 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)c1sccc1SC ZINC000826173119 608351752 /nfs/dbraw/zinc/35/17/52/608351752.db2.gz OALQRBOIPWZHPF-UHFFFAOYSA-N -1 3 362.436 3.016 20 0 FGADHM C[C@@H]1CCCN1C(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000824946826 608356255 /nfs/dbraw/zinc/35/62/55/608356255.db2.gz LCLWRQQPRIKHII-CQSZACIVSA-N -1 3 362.437 3.228 20 0 FGADHM C[C@@H]1CCCN1C(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000824946826 608356256 /nfs/dbraw/zinc/35/62/56/608356256.db2.gz LCLWRQQPRIKHII-CQSZACIVSA-N -1 3 362.437 3.228 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)C[C@H]1CCc2ccccc21 ZINC000826171557 608360260 /nfs/dbraw/zinc/36/02/60/608360260.db2.gz QXNXLPWTFQHWRD-CQSZACIVSA-N -1 3 364.405 3.039 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)C[C@H]1CCc2ccccc21 ZINC000826171557 608360263 /nfs/dbraw/zinc/36/02/63/608360263.db2.gz QXNXLPWTFQHWRD-CQSZACIVSA-N -1 3 364.405 3.039 20 0 FGADHM C[C@H]1CCN(C(=O)c2c(Cl)cc(-c3nnn[n-]3)cc2Cl)C[C@H]1C ZINC000824946432 608383370 /nfs/dbraw/zinc/38/33/70/608383370.db2.gz JJQWFPJOOUQGRD-DTWKUNHWSA-N -1 3 354.241 3.292 20 0 FGADHM C[C@H]1CCN(C(=O)c2c(Cl)cc(-c3nn[n-]n3)cc2Cl)C[C@H]1C ZINC000824946432 608383372 /nfs/dbraw/zinc/38/33/72/608383372.db2.gz JJQWFPJOOUQGRD-DTWKUNHWSA-N -1 3 354.241 3.292 20 0 FGADHM Cc1nc(CCSc2nc3c(c(C)c2-c2nnn[n-]2)CCC3)cs1 ZINC000826326091 608393654 /nfs/dbraw/zinc/39/36/54/608393654.db2.gz ZNRCZELKROQZQZ-UHFFFAOYSA-N -1 3 358.496 3.159 20 0 FGADHM Cc1nc(CCSc2nc3c(c(C)c2-c2nn[n-]n2)CCC3)cs1 ZINC000826326091 608393655 /nfs/dbraw/zinc/39/36/55/608393655.db2.gz ZNRCZELKROQZQZ-UHFFFAOYSA-N -1 3 358.496 3.159 20 0 FGADHM C[C@H]1CC(=O)c2c1c(F)ccc2OCc1cccc(-c2nnn[n-]2)c1F ZINC000824869252 608395832 /nfs/dbraw/zinc/39/58/32/608395832.db2.gz ZMDQKUOSRHBCSI-VIFPVBQESA-N -1 3 356.332 3.414 20 0 FGADHM C[C@H]1CC(=O)c2c1c(F)ccc2OCc1cccc(-c2nn[n-]n2)c1F ZINC000824869252 608395833 /nfs/dbraw/zinc/39/58/33/608395833.db2.gz ZMDQKUOSRHBCSI-VIFPVBQESA-N -1 3 356.332 3.414 20 0 FGADHM C[C@@H](Sc1ccc(-c2nn[n-]n2)cc1)C(=O)c1c[nH]c2ncccc12 ZINC000824757558 608396758 /nfs/dbraw/zinc/39/67/58/608396758.db2.gz XVYGWFQHFQGIMW-SNVBAGLBSA-N -1 3 350.407 3.107 20 0 FGADHM CN(C)C(=O)c1cccc(CSCc2cccc(-c3nnn[n-]3)c2F)c1 ZINC000825848287 608403999 /nfs/dbraw/zinc/40/39/99/608403999.db2.gz BQFUZITXKYQAEY-UHFFFAOYSA-N -1 3 371.441 3.141 20 0 FGADHM CN(C)C(=O)c1cccc(CSCc2cccc(-c3nn[n-]n3)c2F)c1 ZINC000825848287 608404001 /nfs/dbraw/zinc/40/40/01/608404001.db2.gz BQFUZITXKYQAEY-UHFFFAOYSA-N -1 3 371.441 3.141 20 0 FGADHM CC1(C)CCC[C@@H]1NC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824801118 608416925 /nfs/dbraw/zinc/41/69/25/608416925.db2.gz BIZQZDVLEVTCPL-KRWDZBQOSA-N -1 3 366.469 3.244 20 0 FGADHM CC1(C)CCC[C@@H]1NC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824801118 608416926 /nfs/dbraw/zinc/41/69/26/608416926.db2.gz BIZQZDVLEVTCPL-KRWDZBQOSA-N -1 3 366.469 3.244 20 0 FGADHM c1ccc2nc(N3CC=C(c4ccc(-c5nnn[n-]5)cc4)CC3)cnc2c1 ZINC000823868241 608441098 /nfs/dbraw/zinc/44/10/98/608441098.db2.gz RXBQJZFVKTWAPW-UHFFFAOYSA-N -1 3 355.405 3.104 20 0 FGADHM c1ccc2nc(N3CC=C(c4ccc(-c5nn[n-]n5)cc4)CC3)cnc2c1 ZINC000823868241 608441100 /nfs/dbraw/zinc/44/11/00/608441100.db2.gz RXBQJZFVKTWAPW-UHFFFAOYSA-N -1 3 355.405 3.104 20 0 FGADHM C[C@H](NC(=O)c1cc(F)cc2cccnc21)c1cccc(-c2nnn[n-]2)c1 ZINC000824515513 608447379 /nfs/dbraw/zinc/44/73/79/608447379.db2.gz SPOJRWWMTAPSEH-NSHDSACASA-N -1 3 362.368 3.045 20 0 FGADHM C[C@H](NC(=O)c1cc(F)cc2cccnc21)c1cccc(-c2nn[n-]n2)c1 ZINC000824515513 608447381 /nfs/dbraw/zinc/44/73/81/608447381.db2.gz SPOJRWWMTAPSEH-NSHDSACASA-N -1 3 362.368 3.045 20 0 FGADHM C[C@@H](CCOc1ccccc1)C(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000824406296 608449502 /nfs/dbraw/zinc/44/95/02/608449502.db2.gz HBUJWNQAFWUTHT-ZDUSSCGKSA-N -1 3 370.384 3.154 20 0 FGADHM C[C@@H](CCOc1ccccc1)C(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000824406296 608449503 /nfs/dbraw/zinc/44/95/03/608449503.db2.gz HBUJWNQAFWUTHT-ZDUSSCGKSA-N -1 3 370.384 3.154 20 0 FGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)[C@@H]1SCCc2ccccc21 ZINC000826466166 608450393 /nfs/dbraw/zinc/45/03/93/608450393.db2.gz QXXSOVQAKVGIHM-MRXNPFEDSA-N -1 3 370.409 3.080 20 0 FGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)[C@@H]1SCCc2ccccc21 ZINC000826466166 608450395 /nfs/dbraw/zinc/45/03/95/608450395.db2.gz QXXSOVQAKVGIHM-MRXNPFEDSA-N -1 3 370.409 3.080 20 0 FGADHM CC(C)(C)SCCCC(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000824123621 608454419 /nfs/dbraw/zinc/45/44/19/608454419.db2.gz IITMAXUXTAMYCK-UHFFFAOYSA-N -1 3 352.435 3.361 20 0 FGADHM CC(C)(C)SCCCC(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000824123621 608454420 /nfs/dbraw/zinc/45/44/20/608454420.db2.gz IITMAXUXTAMYCK-UHFFFAOYSA-N -1 3 352.435 3.361 20 0 FGADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@@H](C(C)(C)C)C(F)(F)F ZINC000824737671 608455297 /nfs/dbraw/zinc/45/52/97/608455297.db2.gz KDQPEYAPPHTIBB-XPTSAGLGSA-N -1 3 372.347 3.154 20 0 FGADHM Cc1cccn2cc(CN3CC=C(c4ccc(-c5nn[n-]n5)cc4)CC3)nc12 ZINC000826307999 608462870 /nfs/dbraw/zinc/46/28/70/608462870.db2.gz FGANJCSLQAPKRP-UHFFFAOYSA-N -1 3 371.448 3.112 20 0 FGADHM C[C@H](NCc1c(F)c(F)c(F)c(F)c1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000824604283 608464915 /nfs/dbraw/zinc/46/49/15/608464915.db2.gz AUYYNRADRYDVGD-ZETCQYMHSA-N -1 3 369.297 3.413 20 0 FGADHM C[C@H](NCc1c(F)c(F)c(F)c(F)c1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000824604283 608464916 /nfs/dbraw/zinc/46/49/16/608464916.db2.gz AUYYNRADRYDVGD-ZETCQYMHSA-N -1 3 369.297 3.413 20 0 FGADHM CCO[C@H](C)c1nc(CN[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000825577221 608465637 /nfs/dbraw/zinc/46/56/37/608465637.db2.gz UFVIHEQPPRYLMS-VXGBXAGGSA-N -1 3 358.471 3.272 20 0 FGADHM CCO[C@H](C)c1nc(CN[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000825577221 608465638 /nfs/dbraw/zinc/46/56/38/608465638.db2.gz UFVIHEQPPRYLMS-VXGBXAGGSA-N -1 3 358.471 3.272 20 0 FGADHM CCC(=O)Nc1ccc(C)c(NCc2cccc(-c3nn[n-]n3)c2F)c1 ZINC000825034626 608481056 /nfs/dbraw/zinc/48/10/56/608481056.db2.gz NTBWFCNCQTZMHL-UHFFFAOYSA-N -1 3 354.389 3.275 20 0 FGADHM CCC(=O)Nc1ccc(C)c(NCc2cccc(-c3nnn[n-]3)c2F)c1 ZINC000825034626 608481054 /nfs/dbraw/zinc/48/10/54/608481054.db2.gz NTBWFCNCQTZMHL-UHFFFAOYSA-N -1 3 354.389 3.275 20 0 FGADHM O=C(C=Cc1ccsc1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826402989 608483650 /nfs/dbraw/zinc/48/36/50/608483650.db2.gz HFOSEETXTQDZTO-BHQIHCQQSA-N -1 3 363.446 3.257 20 0 FGADHM O=C(C=Cc1ccsc1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826402989 608483652 /nfs/dbraw/zinc/48/36/52/608483652.db2.gz HFOSEETXTQDZTO-BHQIHCQQSA-N -1 3 363.446 3.257 20 0 FGADHM Cc1ccccc1-c1nc(CN[C@@H](C)c2cccc(-c3nnn[n-]3)c2)no1 ZINC000826305323 608491411 /nfs/dbraw/zinc/49/14/11/608491411.db2.gz RYPNENQEGFQYBB-ZDUSSCGKSA-N -1 3 361.409 3.076 20 0 FGADHM Cc1ccccc1-c1nc(CN[C@@H](C)c2cccc(-c3nn[n-]n3)c2)no1 ZINC000826305323 608491413 /nfs/dbraw/zinc/49/14/13/608491413.db2.gz RYPNENQEGFQYBB-ZDUSSCGKSA-N -1 3 361.409 3.076 20 0 FGADHM CC[C@@H](OC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1F ZINC000825153526 608499627 /nfs/dbraw/zinc/49/96/27/608499627.db2.gz IBFLNPFDICSIOF-MRXNPFEDSA-N -1 3 358.348 3.382 20 0 FGADHM CC[C@@H](OC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1F ZINC000825153526 608499629 /nfs/dbraw/zinc/49/96/29/608499629.db2.gz IBFLNPFDICSIOF-MRXNPFEDSA-N -1 3 358.348 3.382 20 0 FGADHM CCCOc1ccc(N[C@@H](C)C(=O)Nc2ccccc2-c2nnn[n-]2)cc1 ZINC000825341580 608529940 /nfs/dbraw/zinc/52/99/40/608529940.db2.gz FNNDNTFPWZPANV-ZDUSSCGKSA-N -1 3 366.425 3.095 20 0 FGADHM CCCOc1ccc(N[C@@H](C)C(=O)Nc2ccccc2-c2nn[n-]n2)cc1 ZINC000825341580 608529941 /nfs/dbraw/zinc/52/99/41/608529941.db2.gz FNNDNTFPWZPANV-ZDUSSCGKSA-N -1 3 366.425 3.095 20 0 FGADHM C[C@H]1CCC[C@@H](CNc2ccc(N3CCC(O)CC3)c(-c3nnn[n-]3)c2)C1 ZINC000824929108 608566327 /nfs/dbraw/zinc/56/63/27/608566327.db2.gz VWRWDDSXRTZEAJ-LSDHHAIUSA-N -1 3 370.501 3.066 20 0 FGADHM C[C@H]1CCC[C@@H](CNc2ccc(N3CCC(O)CC3)c(-c3nn[n-]n3)c2)C1 ZINC000824929108 608566328 /nfs/dbraw/zinc/56/63/28/608566328.db2.gz VWRWDDSXRTZEAJ-LSDHHAIUSA-N -1 3 370.501 3.066 20 0 FGADHM C[C@@H]1CCC[C@@H](CNc2ccc(N3CCC(O)CC3)c(-c3nnn[n-]3)c2)C1 ZINC000824929107 608566491 /nfs/dbraw/zinc/56/64/91/608566491.db2.gz VWRWDDSXRTZEAJ-HUUCEWRRSA-N -1 3 370.501 3.066 20 0 FGADHM C[C@@H]1CCC[C@@H](CNc2ccc(N3CCC(O)CC3)c(-c3nn[n-]n3)c2)C1 ZINC000824929107 608566494 /nfs/dbraw/zinc/56/64/94/608566494.db2.gz VWRWDDSXRTZEAJ-HUUCEWRRSA-N -1 3 370.501 3.066 20 0 FGADHM O=C(CCCc1cccs1)Nc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC000826407009 608572219 /nfs/dbraw/zinc/57/22/19/608572219.db2.gz WYPGPNCXWXOYBM-UHFFFAOYSA-N -1 3 368.466 3.163 20 0 FGADHM O=C(CCCc1cccs1)Nc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC000826407009 608572221 /nfs/dbraw/zinc/57/22/21/608572221.db2.gz WYPGPNCXWXOYBM-UHFFFAOYSA-N -1 3 368.466 3.163 20 0 FGADHM O=C(Nc1nc2c(cc1-c1nnn[n-]1)CCCC2)c1ccc(F)cc1Cl ZINC000826460252 608572834 /nfs/dbraw/zinc/57/28/34/608572834.db2.gz ULPYWSFXXWOCQS-UHFFFAOYSA-N -1 3 372.791 3.185 20 0 FGADHM O=C(Nc1nc2c(cc1-c1nn[n-]n1)CCCC2)c1ccc(F)cc1Cl ZINC000826460252 608572835 /nfs/dbraw/zinc/57/28/35/608572835.db2.gz ULPYWSFXXWOCQS-UHFFFAOYSA-N -1 3 372.791 3.185 20 0 FGADHM C[C@H]1CC[C@H](C)N(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)C1 ZINC000824907782 608600432 /nfs/dbraw/zinc/60/04/32/608600432.db2.gz KORSLQQKVJTVCP-UWVGGRQHSA-N -1 3 366.372 3.120 20 0 FGADHM C[C@H]1CC[C@H](C)N(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)C1 ZINC000824907782 608600434 /nfs/dbraw/zinc/60/04/34/608600434.db2.gz KORSLQQKVJTVCP-UWVGGRQHSA-N -1 3 366.372 3.120 20 0 FGADHM C[C@H]1CN(Cc2ccc(-c3nnn[n-]3)s2)C[C@@H](c2ccc(F)cc2)O1 ZINC000824985212 608718975 /nfs/dbraw/zinc/71/89/75/608718975.db2.gz TUHNTYAEJYOMHO-NHYWBVRUSA-N -1 3 359.430 3.029 20 0 FGADHM C[C@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)C[C@@H](c2ccc(F)cc2)O1 ZINC000824985212 608718977 /nfs/dbraw/zinc/71/89/77/608718977.db2.gz TUHNTYAEJYOMHO-NHYWBVRUSA-N -1 3 359.430 3.029 20 0 FGADHM Clc1ccc([C@H]2CCN2Cc2cnc3ccc(-c4nnn[n-]4)cn23)cc1 ZINC000826351678 608729493 /nfs/dbraw/zinc/72/94/93/608729493.db2.gz VVRCTDSWQBVMME-MRXNPFEDSA-N -1 3 365.828 3.115 20 0 FGADHM Clc1ccc([C@H]2CCN2Cc2cnc3ccc(-c4nn[n-]n4)cn23)cc1 ZINC000826351678 608729495 /nfs/dbraw/zinc/72/94/95/608729495.db2.gz VVRCTDSWQBVMME-MRXNPFEDSA-N -1 3 365.828 3.115 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)NCCCc1cccs1 ZINC000825626900 608808492 /nfs/dbraw/zinc/80/84/92/608808492.db2.gz QMZSLRKUXPECAJ-UHFFFAOYSA-N -1 3 372.454 3.081 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)NCCCc1cccs1 ZINC000825626900 608808497 /nfs/dbraw/zinc/80/84/97/608808497.db2.gz QMZSLRKUXPECAJ-UHFFFAOYSA-N -1 3 372.454 3.081 20 0 FGADHM Cc1ccncc1[C@@H](C)NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826315060 608883594 /nfs/dbraw/zinc/88/35/94/608883594.db2.gz XILQAEOHLUTJJE-SNVBAGLBSA-N -1 3 373.873 3.271 20 0 FGADHM Cc1ccncc1[C@@H](C)NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826315060 608883597 /nfs/dbraw/zinc/88/35/97/608883597.db2.gz XILQAEOHLUTJJE-SNVBAGLBSA-N -1 3 373.873 3.271 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)CCCC(F)(F)F ZINC000825317782 608887186 /nfs/dbraw/zinc/88/71/86/608887186.db2.gz AXABOLFDECDCMR-UHFFFAOYSA-N -1 3 355.364 3.338 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)CCCC(F)(F)F ZINC000825317782 608887188 /nfs/dbraw/zinc/88/71/88/608887188.db2.gz AXABOLFDECDCMR-UHFFFAOYSA-N -1 3 355.364 3.338 20 0 FGADHM COCCOc1cc(C)ccc1N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826160726 609157751 /nfs/dbraw/zinc/15/77/51/609157751.db2.gz CWHNGLHIYLSZSW-AWEZNQCLSA-N -1 3 353.426 3.373 20 0 FGADHM COCCOc1cc(C)ccc1N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826160726 609157752 /nfs/dbraw/zinc/15/77/52/609157752.db2.gz CWHNGLHIYLSZSW-AWEZNQCLSA-N -1 3 353.426 3.373 20 0 FGADHM Cc1nc2c(s1)[C@@H](NC(=O)Nc1cccc(-c3nnn[n-]3)c1C)CCC2 ZINC000826328440 609160562 /nfs/dbraw/zinc/16/05/62/609160562.db2.gz RHFRLSRZIOWCCR-AWEZNQCLSA-N -1 3 369.454 3.139 20 0 FGADHM Cc1nc2c(s1)[C@@H](NC(=O)Nc1cccc(-c3nn[n-]n3)c1C)CCC2 ZINC000826328440 609160563 /nfs/dbraw/zinc/16/05/63/609160563.db2.gz RHFRLSRZIOWCCR-AWEZNQCLSA-N -1 3 369.454 3.139 20 0 FGADHM C[C@@H](Nc1ccc2c(c1)OCCCO2)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824658558 609162014 /nfs/dbraw/zinc/16/20/14/609162014.db2.gz YIULFYGKNSFHBZ-LLVKDONJSA-N -1 3 355.373 3.340 20 0 FGADHM C[C@@H](Nc1ccc2c(c1)OCCCO2)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824658558 609162016 /nfs/dbraw/zinc/16/20/16/609162016.db2.gz YIULFYGKNSFHBZ-LLVKDONJSA-N -1 3 355.373 3.340 20 0 FGADHM Cc1ccc(N(C)Cc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826289622 609174068 /nfs/dbraw/zinc/17/40/68/609174068.db2.gz HBQDAKSQLCGNDS-UHFFFAOYSA-N -1 3 359.437 3.212 20 0 FGADHM Cc1ccc(N(C)Cc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826289622 609174070 /nfs/dbraw/zinc/17/40/70/609174070.db2.gz HBQDAKSQLCGNDS-UHFFFAOYSA-N -1 3 359.437 3.212 20 0 FGADHM Fc1ccc(Br)cc1OCc1ccc(-c2nnn[n-]2)cc1F ZINC000826372304 609174511 /nfs/dbraw/zinc/17/45/11/609174511.db2.gz QOGLJANXIHJRAS-UHFFFAOYSA-N -1 3 367.153 3.486 20 0 FGADHM Fc1ccc(Br)cc1OCc1ccc(-c2nn[n-]n2)cc1F ZINC000826372304 609174512 /nfs/dbraw/zinc/17/45/12/609174512.db2.gz QOGLJANXIHJRAS-UHFFFAOYSA-N -1 3 367.153 3.486 20 0 FGADHM COCCOCc1cccc(N[C@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC000826160964 609176145 /nfs/dbraw/zinc/17/61/45/609176145.db2.gz OBKCFGITJSXNMP-CYBMUJFWSA-N -1 3 371.416 3.342 20 0 FGADHM COCCOCc1cccc(N[C@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC000826160964 609176147 /nfs/dbraw/zinc/17/61/47/609176147.db2.gz OBKCFGITJSXNMP-CYBMUJFWSA-N -1 3 371.416 3.342 20 0 FGADHM FC(F)(F)c1cccc(OCc2cn3ccccc3c2-c2nnn[n-]2)n1 ZINC000826369204 609181085 /nfs/dbraw/zinc/18/10/85/609181085.db2.gz RZWXOZBHSMNEKU-UHFFFAOYSA-N -1 3 360.299 3.112 20 0 FGADHM FC(F)(F)c1cccc(OCc2cn3ccccc3c2-c2nn[n-]n2)n1 ZINC000826369204 609181087 /nfs/dbraw/zinc/18/10/87/609181087.db2.gz RZWXOZBHSMNEKU-UHFFFAOYSA-N -1 3 360.299 3.112 20 0 FGADHM COCCOc1ccc(N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1F ZINC000826162857 609182235 /nfs/dbraw/zinc/18/22/35/609182235.db2.gz VGLJMLRIEFZEDJ-LBPRGKRZSA-N -1 3 357.389 3.204 20 0 FGADHM COCCOc1ccc(N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1F ZINC000826162857 609182237 /nfs/dbraw/zinc/18/22/37/609182237.db2.gz VGLJMLRIEFZEDJ-LBPRGKRZSA-N -1 3 357.389 3.204 20 0 FGADHM Cc1c2ccccc2oc1[C@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)C ZINC000826235891 609212005 /nfs/dbraw/zinc/21/20/05/609212005.db2.gz UFERHZFOMRAULO-MRXNPFEDSA-N -1 3 364.409 3.377 20 0 FGADHM Cc1c2ccccc2oc1[C@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)C ZINC000826235891 609212007 /nfs/dbraw/zinc/21/20/07/609212007.db2.gz UFERHZFOMRAULO-MRXNPFEDSA-N -1 3 364.409 3.377 20 0 FGADHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N1CCC[C@@H](CCCc2ccccc2)C1 ZINC000826469904 609229219 /nfs/dbraw/zinc/22/92/19/609229219.db2.gz VSXTZLVHBJCYNN-MRXNPFEDSA-N -1 3 364.453 3.070 20 0 FGADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1CCC[C@@H](CCCc2ccccc2)C1 ZINC000826469904 609229220 /nfs/dbraw/zinc/22/92/20/609229220.db2.gz VSXTZLVHBJCYNN-MRXNPFEDSA-N -1 3 364.453 3.070 20 0 FGADHM CCN(C(=O)C=Cc1cccc(O)c1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367466 609268615 /nfs/dbraw/zinc/26/86/15/609268615.db2.gz QKRLQBHGWRRUEX-YRBHFNIASA-N -1 3 363.421 3.195 20 0 FGADHM CCN(C(=O)C=Cc1cccc(O)c1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367466 609268616 /nfs/dbraw/zinc/26/86/16/609268616.db2.gz QKRLQBHGWRRUEX-YRBHFNIASA-N -1 3 363.421 3.195 20 0 FGADHM CCN(CC(=O)c1cc(C)[nH]c1C)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825398961 609269533 /nfs/dbraw/zinc/26/95/33/609269533.db2.gz CJWJTJZLSWPBDS-CQSZACIVSA-N -1 3 352.442 3.077 20 0 FGADHM CCCNC(=O)c1cccc(N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000825332131 609273850 /nfs/dbraw/zinc/27/38/50/609273850.db2.gz FBKQFYPQWAIXGN-CYBMUJFWSA-N -1 3 350.426 3.180 20 0 FGADHM CCCNC(=O)c1cccc(N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000825332131 609273851 /nfs/dbraw/zinc/27/38/51/609273851.db2.gz FBKQFYPQWAIXGN-CYBMUJFWSA-N -1 3 350.426 3.180 20 0 FGADHM CCNC(=O)c1ccc(C)c(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000825476498 609275101 /nfs/dbraw/zinc/27/51/01/609275101.db2.gz LSGLZZHTABVXPP-ZDUSSCGKSA-N -1 3 350.426 3.098 20 0 FGADHM CCNC(=O)c1ccc(C)c(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000825476498 609275102 /nfs/dbraw/zinc/27/51/02/609275102.db2.gz LSGLZZHTABVXPP-ZDUSSCGKSA-N -1 3 350.426 3.098 20 0 FGADHM C/C(=C\C(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1)C(C)(C)C ZINC000823944129 609290057 /nfs/dbraw/zinc/29/00/57/609290057.db2.gz YFINVFAYBGREKC-ZHACJKMWSA-N -1 3 369.404 3.122 20 0 FGADHM CCS[C@H]1CCCCN(C(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)C1 ZINC000825669073 609291517 /nfs/dbraw/zinc/29/15/17/609291517.db2.gz PKUOHKGXDIUMFZ-LBPRGKRZSA-N -1 3 365.890 3.268 20 0 FGADHM CCS[C@H]1CCCCN(C(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)C1 ZINC000825669073 609291518 /nfs/dbraw/zinc/29/15/18/609291518.db2.gz PKUOHKGXDIUMFZ-LBPRGKRZSA-N -1 3 365.890 3.268 20 0 FGADHM Cc1cc(NC(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)ccc1N(C)C ZINC000826271051 609296969 /nfs/dbraw/zinc/29/69/69/609296969.db2.gz ZWHAVYUVUXPBCR-UHFFFAOYSA-N -1 3 356.817 3.147 20 0 FGADHM Cc1cc(NC(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)ccc1N(C)C ZINC000826271051 609296970 /nfs/dbraw/zinc/29/69/70/609296970.db2.gz ZWHAVYUVUXPBCR-UHFFFAOYSA-N -1 3 356.817 3.147 20 0 FGADHM O=C(c1ccc(Cl)c(-c2nnn[n-]2)c1)N1CC[C@H](c2ccccc2)C1 ZINC000826473155 609299028 /nfs/dbraw/zinc/29/90/28/609299028.db2.gz MSLNFNQWDHWBIB-AWEZNQCLSA-N -1 3 353.813 3.150 20 0 FGADHM O=C(c1ccc(Cl)c(-c2nn[n-]n2)c1)N1CC[C@H](c2ccccc2)C1 ZINC000826473155 609299030 /nfs/dbraw/zinc/29/90/30/609299030.db2.gz MSLNFNQWDHWBIB-AWEZNQCLSA-N -1 3 353.813 3.150 20 0 FGADHM CC[C@@H](C)n1nc(C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)cc1C ZINC000825082799 609309057 /nfs/dbraw/zinc/30/90/57/609309057.db2.gz VWXFUTIKBVHWKO-SECBINFHSA-N -1 3 359.821 3.248 20 0 FGADHM CC[C@@H](C)n1nc(C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)cc1C ZINC000825082799 609309059 /nfs/dbraw/zinc/30/90/59/609309059.db2.gz VWXFUTIKBVHWKO-SECBINFHSA-N -1 3 359.821 3.248 20 0 FGADHM Clc1ncccc1OCc1ccc(-c2nnn[n-]2)cc1Br ZINC000826353900 609311388 /nfs/dbraw/zinc/31/13/88/609311388.db2.gz IIYUFPAKUTUFOQ-UHFFFAOYSA-N -1 3 366.606 3.257 20 0 FGADHM Clc1ncccc1OCc1ccc(-c2nn[n-]n2)cc1Br ZINC000826353900 609311389 /nfs/dbraw/zinc/31/13/89/609311389.db2.gz IIYUFPAKUTUFOQ-UHFFFAOYSA-N -1 3 366.606 3.257 20 0 FGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H](F)Cc1ccccc1 ZINC000824319724 609313729 /nfs/dbraw/zinc/31/37/29/609313729.db2.gz ZUHHJQYNVHGFSZ-OAHLLOKOSA-N -1 3 369.400 3.173 20 0 FGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H](F)Cc1ccccc1 ZINC000824319724 609313731 /nfs/dbraw/zinc/31/37/31/609313731.db2.gz ZUHHJQYNVHGFSZ-OAHLLOKOSA-N -1 3 369.400 3.173 20 0 FGADHM CCc1cc(N[C@@H](C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)ccc1C ZINC000825700566 609314194 /nfs/dbraw/zinc/31/41/94/609314194.db2.gz KLMQVWQKAMJXJC-ZDUSSCGKSA-N -1 3 350.426 3.177 20 0 FGADHM CCc1cc(N[C@@H](C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)ccc1C ZINC000825700566 609314196 /nfs/dbraw/zinc/31/41/96/609314196.db2.gz KLMQVWQKAMJXJC-ZDUSSCGKSA-N -1 3 350.426 3.177 20 0 FGADHM CCc1nnc(N[C@H]2CCO[C@H](C(CC)CC)C2)c(-c2nnn[n-]2)c1CC ZINC000825767917 609322723 /nfs/dbraw/zinc/32/27/23/609322723.db2.gz UKPIOTMRIPRMEV-BBRMVZONSA-N -1 3 373.505 3.177 20 0 FGADHM CCc1nnc(N[C@H]2CCO[C@H](C(CC)CC)C2)c(-c2nn[n-]n2)c1CC ZINC000825767917 609322724 /nfs/dbraw/zinc/32/27/24/609322724.db2.gz UKPIOTMRIPRMEV-BBRMVZONSA-N -1 3 373.505 3.177 20 0 FGADHM CC(C)(C)C[C@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)C(F)(F)F ZINC000824087560 609323702 /nfs/dbraw/zinc/32/37/02/609323702.db2.gz XCNIIDDBWUBFFT-XEHSLEBBSA-N -1 3 367.375 3.363 20 0 FGADHM CC(C)(C)C[C@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)C(F)(F)F ZINC000824087560 609323704 /nfs/dbraw/zinc/32/37/04/609323704.db2.gz XCNIIDDBWUBFFT-XEHSLEBBSA-N -1 3 367.375 3.363 20 0 FGADHM Clc1ccc(OCc2ccc(-c3nnn[n-]3)cc2Br)cn1 ZINC000826352955 609327659 /nfs/dbraw/zinc/32/76/59/609327659.db2.gz VIGYIESNUYTWQR-UHFFFAOYSA-N -1 3 366.606 3.257 20 0 FGADHM Clc1ccc(OCc2ccc(-c3nn[n-]n3)cc2Br)cn1 ZINC000826352955 609327661 /nfs/dbraw/zinc/32/76/61/609327661.db2.gz VIGYIESNUYTWQR-UHFFFAOYSA-N -1 3 366.606 3.257 20 0 FGADHM COc1cccc2c1OCC[C@@H]2N[C@H](C)c1ccc(-c2nn[n-]n2)cc1F ZINC000826217943 609341689 /nfs/dbraw/zinc/34/16/89/609341689.db2.gz JATNRXZMWRXNNY-BZNIZROVSA-N -1 3 369.400 3.189 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@@H](CC(C)(C)C)C(F)(F)F ZINC000826246636 609348126 /nfs/dbraw/zinc/34/81/26/609348126.db2.gz IGHGJHCIFMEKQR-LBPRGKRZSA-N -1 3 355.364 3.272 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@@H](CC(C)(C)C)C(F)(F)F ZINC000826246636 609348128 /nfs/dbraw/zinc/34/81/28/609348128.db2.gz IGHGJHCIFMEKQR-LBPRGKRZSA-N -1 3 355.364 3.272 20 0 FGADHM C[C@H]1CC[C@H](C(=O)OCc2ccc(-c3nnn[n-]3)cc2Br)C1 ZINC000824908796 609349196 /nfs/dbraw/zinc/34/91/96/609349196.db2.gz QOFYNRBIUMMINZ-ONGXEEELSA-N -1 3 365.231 3.109 20 0 FGADHM C[C@H]1CC[C@H](C(=O)OCc2ccc(-c3nn[n-]n3)cc2Br)C1 ZINC000824908796 609349198 /nfs/dbraw/zinc/34/91/98/609349198.db2.gz QOFYNRBIUMMINZ-ONGXEEELSA-N -1 3 365.231 3.109 20 0 FGADHM CC(C)S[C@H]1CCCC[C@H]1OC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000824337756 609364987 /nfs/dbraw/zinc/36/49/87/609364987.db2.gz FYJMATXSMYLANN-CVEARBPZSA-N -1 3 360.483 3.405 20 0 FGADHM CC(C)S[C@H]1CCCC[C@H]1OC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000824337756 609364988 /nfs/dbraw/zinc/36/49/88/609364988.db2.gz FYJMATXSMYLANN-CVEARBPZSA-N -1 3 360.483 3.405 20 0 FGADHM CC(C)[C@H]1C[C@H](CC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CCO1 ZINC000824216264 609370381 /nfs/dbraw/zinc/37/03/81/609370381.db2.gz POSDLHWZKPJMPI-IAQYHMDHSA-N -1 3 363.849 3.300 20 0 FGADHM CC(C)[C@H]1C[C@H](CC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CCO1 ZINC000824216264 609370383 /nfs/dbraw/zinc/37/03/83/609370383.db2.gz POSDLHWZKPJMPI-IAQYHMDHSA-N -1 3 363.849 3.300 20 0 FGADHM CCc1c(C)sc(NC(=O)C(=O)c2cc(F)ccc2C)c1-c1nnn[n-]1 ZINC000825687887 609383414 /nfs/dbraw/zinc/38/34/14/609383414.db2.gz NRCAWZALTVOSDO-UHFFFAOYSA-N -1 3 373.413 3.068 20 0 FGADHM CCc1c(C)sc(NC(=O)C(=O)c2cc(F)ccc2C)c1-c1nn[n-]n1 ZINC000825687887 609383415 /nfs/dbraw/zinc/38/34/15/609383415.db2.gz NRCAWZALTVOSDO-UHFFFAOYSA-N -1 3 373.413 3.068 20 0 FGADHM C[C@H]1CC[C@@]2(CCN(C(=O)CSCc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC000824917220 609397054 /nfs/dbraw/zinc/39/70/54/609397054.db2.gz MRGQQRHASUJILO-IFXJQAMLSA-N -1 3 371.510 3.139 20 0 FGADHM C[C@H]1CC[C@@]2(CCN(C(=O)CSCc3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC000824917220 609397056 /nfs/dbraw/zinc/39/70/56/609397056.db2.gz MRGQQRHASUJILO-IFXJQAMLSA-N -1 3 371.510 3.139 20 0 FGADHM CCOc1ccc(CN(C)c2cc(-c3nnn[n-]3)ccc2C(C)=O)cc1 ZINC000825638153 609420497 /nfs/dbraw/zinc/42/04/97/609420497.db2.gz HLYVJNVLZCTELU-UHFFFAOYSA-N -1 3 351.410 3.104 20 0 FGADHM CCOc1ccc(CN(C)c2cc(-c3nn[n-]n3)ccc2C(C)=O)cc1 ZINC000825638153 609420499 /nfs/dbraw/zinc/42/04/99/609420499.db2.gz HLYVJNVLZCTELU-UHFFFAOYSA-N -1 3 351.410 3.104 20 0 FGADHM CC(C)n1cnnc1C1CCN(c2c(Cl)cccc2-c2nnn[n-]2)CC1 ZINC000824377488 609426984 /nfs/dbraw/zinc/42/69/84/609426984.db2.gz GCATWYNDFMRCCL-UHFFFAOYSA-N -1 3 372.864 3.077 20 0 FGADHM CC(C)n1cnnc1C1CCN(c2c(Cl)cccc2-c2nn[n-]n2)CC1 ZINC000824377488 609426986 /nfs/dbraw/zinc/42/69/86/609426986.db2.gz GCATWYNDFMRCCL-UHFFFAOYSA-N -1 3 372.864 3.077 20 0 FGADHM CC(C)n1cnnc1C1CCN(c2ccc(Cl)cc2-c2nnn[n-]2)CC1 ZINC000824377261 609426992 /nfs/dbraw/zinc/42/69/92/609426992.db2.gz AHSRNFZVYZQAPK-UHFFFAOYSA-N -1 3 372.864 3.077 20 0 FGADHM CC(C)n1cnnc1C1CCN(c2ccc(Cl)cc2-c2nn[n-]n2)CC1 ZINC000824377261 609426994 /nfs/dbraw/zinc/42/69/94/609426994.db2.gz AHSRNFZVYZQAPK-UHFFFAOYSA-N -1 3 372.864 3.077 20 0 FGADHM Cl/C=C(\Cl)CNc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000826350387 609444353 /nfs/dbraw/zinc/44/43/53/609444353.db2.gz UABVADNNIFJYST-TWGQIWQCSA-N -1 3 370.631 3.437 20 0 FGADHM CCOc1cc(Cl)ccc1C(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000825615875 609450785 /nfs/dbraw/zinc/45/07/85/609450785.db2.gz OCTLBACWOJNUGK-UHFFFAOYSA-N -1 3 357.801 3.480 20 0 FGADHM CCOc1cc(Cl)ccc1C(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000825615875 609450786 /nfs/dbraw/zinc/45/07/86/609450786.db2.gz OCTLBACWOJNUGK-UHFFFAOYSA-N -1 3 357.801 3.480 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NCc1cc(Cl)c2c(c1)OCCO2 ZINC000826278555 609481942 /nfs/dbraw/zinc/48/19/42/609481942.db2.gz IWRVDTHLHRZRDR-UHFFFAOYSA-N -1 3 357.801 3.212 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NCc1cc(Cl)c2c(c1)OCCO2 ZINC000826278555 609481945 /nfs/dbraw/zinc/48/19/45/609481945.db2.gz IWRVDTHLHRZRDR-UHFFFAOYSA-N -1 3 357.801 3.212 20 0 FGADHM COCCOc1ccc(-c2nnn[n-]2)cc1NCc1ccc(Cl)cc1 ZINC000826162031 609483865 /nfs/dbraw/zinc/48/38/65/609483865.db2.gz KDRQBVZRTMYPPV-UHFFFAOYSA-N -1 3 359.817 3.157 20 0 FGADHM COCCOc1ccc(-c2nn[n-]n2)cc1NCc1ccc(Cl)cc1 ZINC000826162031 609483867 /nfs/dbraw/zinc/48/38/67/609483867.db2.gz KDRQBVZRTMYPPV-UHFFFAOYSA-N -1 3 359.817 3.157 20 0 FGADHM CCOC(=O)Nc1ccc(NCc2cccnc2Cl)cc1-c1nnn[n-]1 ZINC000825553026 609488446 /nfs/dbraw/zinc/48/84/46/609488446.db2.gz IJWVKDVLJYWFRE-UHFFFAOYSA-N -1 3 373.804 3.096 20 0 FGADHM CCOC(=O)Nc1ccc(NCc2cccnc2Cl)cc1-c1nn[n-]n1 ZINC000825553026 609488448 /nfs/dbraw/zinc/48/84/48/609488448.db2.gz IJWVKDVLJYWFRE-UHFFFAOYSA-N -1 3 373.804 3.096 20 0 FGADHM CCOc1cccc(CNc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)n1 ZINC000825648884 609492827 /nfs/dbraw/zinc/49/28/27/609492827.db2.gz FSXNZQSHYRJKAK-UHFFFAOYSA-N -1 3 354.414 3.060 20 0 FGADHM CCOc1cccc(CNc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)n1 ZINC000825648884 609492828 /nfs/dbraw/zinc/49/28/28/609492828.db2.gz FSXNZQSHYRJKAK-UHFFFAOYSA-N -1 3 354.414 3.060 20 0 FGADHM CSc1c(F)cc(NC(=O)Cc2ccc(-c3nnn[n-]3)cc2)cc1F ZINC000826229790 609517097 /nfs/dbraw/zinc/51/70/97/609517097.db2.gz RGWYYNWRPYUKMN-UHFFFAOYSA-N -1 3 361.377 3.048 20 0 FGADHM CSc1c(F)cc(NC(=O)Cc2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000826229790 609517100 /nfs/dbraw/zinc/51/71/00/609517100.db2.gz RGWYYNWRPYUKMN-UHFFFAOYSA-N -1 3 361.377 3.048 20 0 FGADHM CCC[C@H]1C[C@H](C(=O)N(CCC)Cc2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000825251856 609522148 /nfs/dbraw/zinc/52/21/48/609522148.db2.gz DYFVXRLWJCUAQK-MSOLQXFVSA-N -1 3 371.485 3.201 20 0 FGADHM CCC[C@H]1C[C@H](C(=O)N(CCC)Cc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000825251856 609522150 /nfs/dbraw/zinc/52/21/50/609522150.db2.gz DYFVXRLWJCUAQK-MSOLQXFVSA-N -1 3 371.485 3.201 20 0 FGADHM CCC[C@H]1C[C@H](C(=O)N(CC(C)C)c2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000825253562 609523813 /nfs/dbraw/zinc/52/38/13/609523813.db2.gz OFQAXMSRKSVYPF-AEFFLSMTSA-N -1 3 371.485 3.451 20 0 FGADHM CCC[C@H]1C[C@H](C(=O)N(CC(C)C)c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000825253562 609523814 /nfs/dbraw/zinc/52/38/14/609523814.db2.gz OFQAXMSRKSVYPF-AEFFLSMTSA-N -1 3 371.485 3.451 20 0 FGADHM COc1ccc(N(C#N)Cc2cc(-c3nnn[n-]3)ccc2OC)cc1Cl ZINC000826208996 609524434 /nfs/dbraw/zinc/52/44/34/609524434.db2.gz JARQADDAHNVYAH-UHFFFAOYSA-N -1 3 370.800 3.025 20 0 FGADHM COc1ccc(N(C#N)Cc2cc(-c3nn[n-]n3)ccc2OC)cc1Cl ZINC000826208996 609524436 /nfs/dbraw/zinc/52/44/36/609524436.db2.gz JARQADDAHNVYAH-UHFFFAOYSA-N -1 3 370.800 3.025 20 0 FGADHM Cc1c(Cl)cnc(N[C@@H](C)c2ccc3c(c2)OCO3)c1-c1nnn[n-]1 ZINC000826238317 609526658 /nfs/dbraw/zinc/52/66/58/609526658.db2.gz CPXDOQGQUUWSRT-VIFPVBQESA-N -1 3 358.789 3.125 20 0 FGADHM Cc1c(Cl)cnc(N[C@@H](C)c2ccc3c(c2)OCO3)c1-c1nn[n-]n1 ZINC000826238317 609526660 /nfs/dbraw/zinc/52/66/60/609526660.db2.gz CPXDOQGQUUWSRT-VIFPVBQESA-N -1 3 358.789 3.125 20 0 FGADHM Cc1c(Cl)cnc(NCCCc2nc3ccccc3[nH]2)c1-c1nnn[n-]1 ZINC000826239519 609526664 /nfs/dbraw/zinc/52/66/64/609526664.db2.gz JVCAZCHHHXGPNU-UHFFFAOYSA-N -1 3 368.832 3.145 20 0 FGADHM Cc1c(Cl)cnc(NCCCc2nc3ccccc3[nH]2)c1-c1nn[n-]n1 ZINC000826239519 609526666 /nfs/dbraw/zinc/52/66/66/609526666.db2.gz JVCAZCHHHXGPNU-UHFFFAOYSA-N -1 3 368.832 3.145 20 0 FGADHM C[C@@H]1CC(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)C[C@@H](C)C1 ZINC000824877653 609557344 /nfs/dbraw/zinc/55/73/44/609557344.db2.gz ZSCZZHCKCDWYGV-UWVGGRQHSA-N -1 3 365.384 3.479 20 0 FGADHM C[C@@H]1CC(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)C[C@@H](C)C1 ZINC000824877653 609557346 /nfs/dbraw/zinc/55/73/46/609557346.db2.gz ZSCZZHCKCDWYGV-UWVGGRQHSA-N -1 3 365.384 3.479 20 0 FGADHM Cc1c(Cl)cnc(N2C[C@H](c3ccccc3)OC[C@H]2C)c1-c1nnn[n-]1 ZINC000826237379 609569683 /nfs/dbraw/zinc/56/96/83/609569683.db2.gz XRLVDSOZFHNTPA-IAQYHMDHSA-N -1 3 370.844 3.190 20 0 FGADHM Cc1c(Cl)cnc(N2C[C@H](c3ccccc3)OC[C@H]2C)c1-c1nn[n-]n1 ZINC000826237379 609569685 /nfs/dbraw/zinc/56/96/85/609569685.db2.gz XRLVDSOZFHNTPA-IAQYHMDHSA-N -1 3 370.844 3.190 20 0 FGADHM Cc1ccnc(N2CCC(Oc3ccccc3Cl)CC2)c1-c1nnn[n-]1 ZINC000826310535 609581282 /nfs/dbraw/zinc/58/12/82/609581282.db2.gz YTJBWCIEMABTNE-UHFFFAOYSA-N -1 3 370.844 3.271 20 0 FGADHM Cc1ccnc(N2CCC(Oc3ccccc3Cl)CC2)c1-c1nn[n-]n1 ZINC000826310535 609581284 /nfs/dbraw/zinc/58/12/84/609581284.db2.gz YTJBWCIEMABTNE-UHFFFAOYSA-N -1 3 370.844 3.271 20 0 FGADHM Cc1c(Cl)cnc(N2CC[C@H](COc3ccccc3)C2)c1-c1nnn[n-]1 ZINC000826237520 609585673 /nfs/dbraw/zinc/58/56/73/609585673.db2.gz CIBQAKJJQBVCON-ZDUSSCGKSA-N -1 3 370.844 3.129 20 0 FGADHM Cc1c(Cl)cnc(N2CC[C@H](COc3ccccc3)C2)c1-c1nn[n-]n1 ZINC000826237520 609585675 /nfs/dbraw/zinc/58/56/75/609585675.db2.gz CIBQAKJJQBVCON-ZDUSSCGKSA-N -1 3 370.844 3.129 20 0 FGADHM FC(F)(F)c1ccc(N2CCC([C@H]3CCOC3)CC2)c(-c2nnn[n-]2)c1 ZINC000826368643 609591610 /nfs/dbraw/zinc/59/16/10/609591610.db2.gz XMDUMLPXCIPGOE-LBPRGKRZSA-N -1 3 367.375 3.138 20 0 FGADHM FC(F)(F)c1ccc(N2CCC([C@H]3CCOC3)CC2)c(-c2nn[n-]n2)c1 ZINC000826368643 609591611 /nfs/dbraw/zinc/59/16/11/609591611.db2.gz XMDUMLPXCIPGOE-LBPRGKRZSA-N -1 3 367.375 3.138 20 0 FGADHM C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000824907730 609606243 /nfs/dbraw/zinc/60/62/43/609606243.db2.gz JRVHYLJDDXFYRU-MWLCHTKSSA-N -1 3 354.336 3.061 20 0 FGADHM C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000824907730 609606244 /nfs/dbraw/zinc/60/62/44/609606244.db2.gz JRVHYLJDDXFYRU-MWLCHTKSSA-N -1 3 354.336 3.061 20 0 FGADHM O=C(OCc1ccc(Cl)cc1-c1nnn[n-]1)C1(c2ccccc2)CC1 ZINC000826465392 609613785 /nfs/dbraw/zinc/61/37/85/609613785.db2.gz LKHVVJLPDIPULD-UHFFFAOYSA-N -1 3 354.797 3.295 20 0 FGADHM O=C(OCc1ccc(Cl)cc1-c1nn[n-]n1)C1(c2ccccc2)CC1 ZINC000826465392 609613786 /nfs/dbraw/zinc/61/37/86/609613786.db2.gz LKHVVJLPDIPULD-UHFFFAOYSA-N -1 3 354.797 3.295 20 0 FGADHM O=C(CCOc1ccccc1)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826407832 609616208 /nfs/dbraw/zinc/61/62/08/609616208.db2.gz CYCFEPFQHDZMGE-UHFFFAOYSA-N -1 3 358.785 3.032 20 0 FGADHM O=C(CCOc1ccccc1)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826407832 609616210 /nfs/dbraw/zinc/61/62/10/609616210.db2.gz CYCFEPFQHDZMGE-UHFFFAOYSA-N -1 3 358.785 3.032 20 0 FGADHM O=C(OCc1ccc(Cl)cc1-c1nnn[n-]1)c1ccn(C2CCCC2)n1 ZINC000826465636 609616643 /nfs/dbraw/zinc/61/66/43/609616643.db2.gz VHAVAJXTONUCFK-UHFFFAOYSA-N -1 3 372.816 3.189 20 0 FGADHM O=C(OCc1ccc(Cl)cc1-c1nn[n-]n1)c1ccn(C2CCCC2)n1 ZINC000826465636 609616645 /nfs/dbraw/zinc/61/66/45/609616645.db2.gz VHAVAJXTONUCFK-UHFFFAOYSA-N -1 3 372.816 3.189 20 0 FGADHM Cc1ccc(O[C@H](C)C(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)cc1 ZINC000826292462 609616936 /nfs/dbraw/zinc/61/69/36/609616936.db2.gz VYTSCORKCKMIFI-GFCCVEGCSA-N -1 3 372.812 3.339 20 0 FGADHM Cc1ccc(O[C@H](C)C(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)cc1 ZINC000826292462 609616938 /nfs/dbraw/zinc/61/69/38/609616938.db2.gz VYTSCORKCKMIFI-GFCCVEGCSA-N -1 3 372.812 3.339 20 0 FGADHM CC[C@H](OC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)cc1 ZINC000825154150 609634554 /nfs/dbraw/zinc/63/45/54/609634554.db2.gz LYTKGXQLSJVHCE-JKSUJKDBSA-N -1 3 372.812 3.248 20 0 FGADHM CC[C@H](OC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)cc1 ZINC000825154150 609634555 /nfs/dbraw/zinc/63/45/55/609634555.db2.gz LYTKGXQLSJVHCE-JKSUJKDBSA-N -1 3 372.812 3.248 20 0 FGADHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]C1CCCC1 ZINC000024239947 695666610 /nfs/dbraw/zinc/66/66/10/695666610.db2.gz PUTUHLHNAGBLHG-UHFFFAOYSA-N -1 3 368.680 3.332 20 0 FGADHM COC(=O)CCCCCC[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000024475804 695668017 /nfs/dbraw/zinc/66/80/17/695668017.db2.gz CQZYTRSZRFANNW-UHFFFAOYSA-N -1 3 368.282 3.395 20 0 FGADHM O=S(=O)([N-]c1ccc(-n2ccnc2)cc1)c1ccc(F)c(Cl)c1 ZINC000028082252 695700273 /nfs/dbraw/zinc/70/02/73/695700273.db2.gz JMFZSBRIKJWYTD-UHFFFAOYSA-N -1 3 351.790 3.466 20 0 FGADHM COc1cccc(CNC(=O)[C@@H](C)OC(=O)c2cc(Cl)c(Cl)[n-]2)c1 ZINC000028752624 695705496 /nfs/dbraw/zinc/70/54/96/695705496.db2.gz KRIBDTHPAYHSRP-SECBINFHSA-N -1 3 371.220 3.192 20 0 FGADHM CS(=O)(=O)[N-]c1ccc(C(=O)OCc2ccc(C(F)(F)F)cc2)cc1 ZINC000029008536 695707884 /nfs/dbraw/zinc/70/78/84/695707884.db2.gz MXIZVLVENNPFDJ-UHFFFAOYSA-N -1 3 373.352 3.434 20 0 FGADHM Cc1cccc(C)c1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000031875054 695740271 /nfs/dbraw/zinc/74/02/71/695740271.db2.gz RYYCZUBVFWYWJU-UHFFFAOYSA-N -1 3 364.442 3.382 20 0 FGADHM Cc1nc(C2([N-]S(=O)(=O)c3ccc(C)c(Cl)c3)CCCCC2)no1 ZINC000032418020 695744394 /nfs/dbraw/zinc/74/43/94/695744394.db2.gz FDVCOYXWJCXTHL-UHFFFAOYSA-N -1 3 369.874 3.478 20 0 FGADHM O=S(=O)([N-]Cc1ccc(-n2cccn2)cc1)c1ccc(Cl)cc1F ZINC000045812035 695827120 /nfs/dbraw/zinc/82/71/20/695827120.db2.gz KOQGYOYVZZSUQC-UHFFFAOYSA-N -1 3 365.817 3.143 20 0 FGADHM CCCN(CC1CC1)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000045906986 695828562 /nfs/dbraw/zinc/82/85/62/695828562.db2.gz KHNYUXNXHKWIPN-UHFFFAOYSA-N -1 3 370.490 3.165 20 0 FGADHM Cc1nc(C2([N-]S(=O)(=O)c3cc(Cl)ccc3C)CCCCC2)no1 ZINC000046800096 695846921 /nfs/dbraw/zinc/84/69/21/695846921.db2.gz XLDKJCKNEDLSRQ-UHFFFAOYSA-N -1 3 369.874 3.478 20 0 FGADHM CN(C)[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1ccco1 ZINC000047031420 695850133 /nfs/dbraw/zinc/85/01/33/695850133.db2.gz QZFXNSRENVHGNV-LBPRGKRZSA-N -1 3 363.266 3.168 20 0 FGADHM COc1cc[n-]c(=NNC(=O)[C@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)n1 ZINC000068724952 695943557 /nfs/dbraw/zinc/94/35/57/695943557.db2.gz MKFNBCXNKGXENS-UWVGGRQHSA-N -1 3 353.209 3.039 20 0 FGADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(N(C)C)cc2)cc1OCC ZINC000072727962 695962289 /nfs/dbraw/zinc/96/22/89/695962289.db2.gz WWPWSOZTTOSDIM-UHFFFAOYSA-N -1 3 364.467 3.351 20 0 FGADHM CS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cc(Cl)ccc2[O-])c1 ZINC000077613407 700257163 /nfs/dbraw/zinc/25/71/63/700257163.db2.gz LEBTVBKEBAHBSN-UHFFFAOYSA-N -1 3 360.218 3.355 20 0 FGADHM CCCCN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)[C@@H](C)CC ZINC000078382887 700277967 /nfs/dbraw/zinc/27/79/67/700277967.db2.gz HKJBPBMHPZLJFV-ZDUSSCGKSA-N -1 3 370.490 3.307 20 0 FGADHM COC(=O)c1cc(S(=O)(=O)[N-][C@H]2CC=CCC2)c(Cl)cc1Cl ZINC000080758916 700322500 /nfs/dbraw/zinc/32/25/00/700322500.db2.gz HQOXXXQTOVYQBV-VIFPVBQESA-N -1 3 364.250 3.167 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C=C3CCSCC3)c2)n1 ZINC000092879883 700442624 /nfs/dbraw/zinc/44/26/24/700442624.db2.gz QPIAJOCFXAQBGK-UHFFFAOYSA-N -1 3 355.463 3.391 20 0 FGADHM C[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)nc1Cl)Oc1ccccc1 ZINC000112625055 700561656 /nfs/dbraw/zinc/56/16/56/700561656.db2.gz LPSBUYXMNUZLAY-JTQLQIEISA-N -1 3 361.250 3.134 20 0 FGADHM O=S(=O)([N-]C[C@@H](O)c1ccccc1Cl)c1cc(F)ccc1Cl ZINC000120929804 700662762 /nfs/dbraw/zinc/66/27/62/700662762.db2.gz ADKBECYUISVQAD-CYBMUJFWSA-N -1 3 364.225 3.144 20 0 FGADHM C[C@H](Oc1ccc(F)cc1Cl)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000123607257 700707205 /nfs/dbraw/zinc/70/72/05/700707205.db2.gz ZAMXGNFOYPDSIG-VIFPVBQESA-N -1 3 361.764 3.065 20 0 FGADHM C[C@H](Oc1ccc(F)cc1Cl)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000123607257 700707210 /nfs/dbraw/zinc/70/72/10/700707210.db2.gz ZAMXGNFOYPDSIG-VIFPVBQESA-N -1 3 361.764 3.065 20 0 FGADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H]1CC(C)(C)c2ccccc21 ZINC000126019391 700742836 /nfs/dbraw/zinc/74/28/36/700742836.db2.gz NWZXHOBSTMXELX-CYBMUJFWSA-N -1 3 353.875 3.083 20 0 FGADHM COc1ccc(NC[C@@H](C)c2ccc(F)cc2)cc1[N-]S(C)(=O)=O ZINC000128081201 700770567 /nfs/dbraw/zinc/77/05/67/700770567.db2.gz NKSMESOHZLJLRD-GFCCVEGCSA-N -1 3 352.431 3.421 20 0 FGADHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]C1CC=CC1 ZINC000132175350 700824583 /nfs/dbraw/zinc/82/45/83/700824583.db2.gz UVLAIUKCFMUTKR-UHFFFAOYSA-N -1 3 366.664 3.108 20 0 FGADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cc(C)nc(Cl)c3)cc2)n1 ZINC000155378942 705075126 /nfs/dbraw/zinc/07/51/26/705075126.db2.gz GMUNSQBFEGFBBD-UHFFFAOYSA-N -1 3 354.797 3.354 20 0 FGADHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H](C(C)(C)C)C(F)(F)F ZINC000156491845 705118826 /nfs/dbraw/zinc/11/88/26/705118826.db2.gz UCRYAEOPIROJGU-HNNXBMFYSA-N -1 3 358.360 3.316 20 0 FGADHM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)cc2F)ccc1Cl ZINC000156744677 705130246 /nfs/dbraw/zinc/13/02/46/705130246.db2.gz GTDKMFRONYPWLX-UHFFFAOYSA-N -1 3 357.790 3.375 20 0 FGADHM Cc1ccc(CC(=O)[N-]OCC(=O)Nc2ccc(F)cc2Cl)cc1 ZINC000156843755 705134678 /nfs/dbraw/zinc/13/46/78/705134678.db2.gz MQSZPIYKIDQFAY-UHFFFAOYSA-N -1 3 350.777 3.017 20 0 FGADHM C[C@@H](C[C@@H](O)c1cccs1)[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000158094613 705172138 /nfs/dbraw/zinc/17/21/38/705172138.db2.gz INVJGUHIZBPNOD-JOYOIKCWSA-N -1 3 363.863 3.331 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cc(Cl)c(Cl)[nH]3)nc21 ZINC000158447034 705186091 /nfs/dbraw/zinc/18/60/91/705186091.db2.gz JYPSXSUCYYVOHZ-UHFFFAOYSA-N -1 3 353.165 3.237 20 0 FGADHM O=S(=O)([N-]CCCOC1CCCC1)c1cnc(Cl)c(Cl)c1 ZINC000158810213 705200721 /nfs/dbraw/zinc/20/07/21/705200721.db2.gz CQUXNRNCXBEVJZ-UHFFFAOYSA-N -1 3 353.271 3.016 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)C=Cc3ccnc(Cl)c3)nc21 ZINC000159276933 705217212 /nfs/dbraw/zinc/21/72/12/705217212.db2.gz GMXOUMRIMRFLEJ-AATRIKPKSA-N -1 3 356.769 3.050 20 0 FGADHM O=S(=O)([N-]C[C@H](O)c1cccc(F)c1)c1cc(Cl)ccc1Cl ZINC000160074429 705243626 /nfs/dbraw/zinc/24/36/26/705243626.db2.gz SRYBATBWMCCJGO-ZDUSSCGKSA-N -1 3 364.225 3.144 20 0 FGADHM CCCCNC(=O)N[N-]C(=O)c1cc(NC(=O)CC(C)C)ccc1Cl ZINC000161800501 705283613 /nfs/dbraw/zinc/28/36/13/705283613.db2.gz PCSKMGPXSYSJDT-UHFFFAOYSA-N -1 3 368.865 3.069 20 0 FGADHM O=S(=O)([N-]C[C@@]1(O)CCc2ccccc21)c1c(Cl)cccc1Cl ZINC000162233665 705292048 /nfs/dbraw/zinc/29/20/48/705292048.db2.gz VKRLXMNPHZKVEA-INIZCTEOSA-N -1 3 372.273 3.106 20 0 FGADHM C[C@H](CC(=O)c1cccc(Br)c1)C(=O)[N-]O[C@@H]1CCCCO1 ZINC000162752782 705302202 /nfs/dbraw/zinc/30/22/02/705302202.db2.gz INNLQYJLYJTJCR-IAQYHMDHSA-N -1 3 370.243 3.232 20 0 FGADHM C[C@@H](C[C@H](O)c1ccccc1)[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000163824129 705320352 /nfs/dbraw/zinc/32/03/52/705320352.db2.gz UKGKHRAOPSHMSA-FZMZJTMJSA-N -1 3 357.834 3.270 20 0 FGADHM CCS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cc(F)ccc2[O-])c1 ZINC000174872342 705522965 /nfs/dbraw/zinc/52/29/65/705522965.db2.gz WOYNVNHETYBJKH-UHFFFAOYSA-N -1 3 357.790 3.231 20 0 FGADHM COc1cc(Cl)c(Cl)cc1C(=O)[N-]n1cnc2ccccc2c1=O ZINC000175360922 705544442 /nfs/dbraw/zinc/54/44/42/705544442.db2.gz DVNDMILLMMAVCA-UHFFFAOYSA-N -1 3 364.188 3.096 20 0 FGADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H]1c2cccc(F)c2CC[C@H]1C ZINC000175851073 705561468 /nfs/dbraw/zinc/56/14/68/705561468.db2.gz FAEHMSGIRAXZCH-YMTOWFKASA-N -1 3 371.865 3.123 20 0 FGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(SC(F)F)cc1 ZINC000175917555 705564043 /nfs/dbraw/zinc/56/40/43/705564043.db2.gz WJICIYNERIVJQQ-UHFFFAOYSA-N -1 3 357.407 3.367 20 0 FGADHM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccc(N3CCOC[C@H]3C)cc2)c1 ZINC000176711105 705587135 /nfs/dbraw/zinc/58/71/35/705587135.db2.gz VOKLAYPLVZVGSQ-CQSZACIVSA-N -1 3 364.442 3.160 20 0 FGADHM C[C@@H](CC(=O)c1ccccc1)[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000179494490 705703492 /nfs/dbraw/zinc/70/34/92/705703492.db2.gz DSXVUHUSTBLDKZ-JTQLQIEISA-N -1 3 373.261 3.328 20 0 FGADHM O=C(CNc1ccccc1)N[N-]C(=O)c1ccc(C(F)(F)F)cc1Cl ZINC000182580380 705851946 /nfs/dbraw/zinc/85/19/46/705851946.db2.gz ZFYYZEXWRXTXCR-UHFFFAOYSA-N -1 3 371.746 3.232 20 0 FGADHM COc1ccc(N[C@@H](Cc2ccccc2)C2CC2)cc1[N-]S(C)(=O)=O ZINC000182727586 705858870 /nfs/dbraw/zinc/85/88/70/705858870.db2.gz CXXDKKAADJOJOP-KRWDZBQOSA-N -1 3 360.479 3.500 20 0 FGADHM COc1ccc(Br)c(CC(=O)[N-]OCc2ccc(F)cc2)c1 ZINC000184140755 705919285 /nfs/dbraw/zinc/91/92/85/705919285.db2.gz ZDBLSVQZXKPQPW-UHFFFAOYSA-N -1 3 368.202 3.387 20 0 FGADHM CC(C)[C@H]1C[C@H]1C(=O)N[N-]C(=O)c1ccc(Br)cc1Cl ZINC000185166133 712687204 /nfs/dbraw/zinc/68/72/04/712687204.db2.gz VAENGYAUVLBRKK-GHMZBOCLSA-N -1 3 359.651 3.156 20 0 FGADHM Cc1ccc(SC[C@H](C)NC(=O)NN=c2ccc(Cl)n[n-]2)cc1 ZINC000186064278 712708386 /nfs/dbraw/zinc/70/83/86/712708386.db2.gz ZSEFLRYCCVVAMS-NSHDSACASA-N -1 3 351.863 3.245 20 0 FGADHM C[C@@H](Nc1ccc(N2CCNC(=O)C2)c(Cl)c1)c1ccc(F)cc1[O-] ZINC000186261931 712713517 /nfs/dbraw/zinc/71/35/17/712713517.db2.gz OEDOCJGQHZMZAU-LLVKDONJSA-N -1 3 363.820 3.294 20 0 FGADHM Cc1ccc(CC(=O)[N-]OCc2ccc(F)cc2Br)cn1 ZINC000188915387 712780733 /nfs/dbraw/zinc/78/07/33/712780733.db2.gz RNJFSVJPERFSTA-UHFFFAOYSA-N -1 3 353.191 3.082 20 0 FGADHM CCc1c([N-]S(=O)(=O)C2CC2)cnn1-c1ccc(C(F)(F)F)cc1 ZINC000189435855 712794111 /nfs/dbraw/zinc/79/41/11/712794111.db2.gz GSVMSLVCSHNBJY-UHFFFAOYSA-N -1 3 359.373 3.358 20 0 FGADHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1ccc(-n2cc[nH]c2=S)cc1 ZINC000193603173 712896903 /nfs/dbraw/zinc/89/69/03/712896903.db2.gz KZAAQEPLNJLYSK-UHFFFAOYSA-N -1 3 352.379 3.165 20 0 FGADHM O=S(=O)(Cc1c(F)cccc1F)[N-]c1ccc(N2CCCCC2)cn1 ZINC000194584979 713527357 /nfs/dbraw/zinc/52/73/57/713527357.db2.gz CHWFVENAIVHBJJ-UHFFFAOYSA-N -1 3 367.421 3.292 20 0 FGADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)/C=C\c1ccco1 ZINC000209846725 713564982 /nfs/dbraw/zinc/56/49/82/713564982.db2.gz DJUGHXFKSOTZIP-ALCCZGGFSA-N -1 3 374.340 3.322 20 0 FGADHM O=c1[nH][n-]cc1CCCNc1nc2c(F)cccc2cc1Br ZINC000641659789 717918108 /nfs/dbraw/zinc/91/81/08/717918108.db2.gz SCBWYBIUQPPZTA-SNVBAGLBSA-N -1 3 365.206 3.060 20 0 FGADHM O=c1[nH][n-]cc1CCCNc1nc2c(F)cccc2cc1Br ZINC000641659777 717918208 /nfs/dbraw/zinc/91/82/08/717918208.db2.gz SCBWYBIUQPPZTA-JTQLQIEISA-N -1 3 365.206 3.060 20 0 FGADHM O=C1[N-]C(=O)C(=CNCC2(Sc3ccccc3)CC2)c2ccccc21 ZINC000255766639 713706291 /nfs/dbraw/zinc/70/62/91/713706291.db2.gz FASSDCHUAWRPOR-ATVHPVEESA-N -1 3 350.443 3.212 20 0 FGADHM Cc1c([N-]S(=O)(=O)[C@@H]2C[C@@H]2c2cccc(F)c2)cnn1CC(C)C ZINC000641685551 717920439 /nfs/dbraw/zinc/92/04/39/717920439.db2.gz KDIZLGPAMIAFQP-NVXWUHKLSA-N -1 3 351.447 3.284 20 0 FGADHM C[C@H](NC(=O)[C@H](C)N1CCC[C@@H](CCC(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000263065556 713735376 /nfs/dbraw/zinc/73/53/76/713735376.db2.gz GECSHLMWDCATFF-KKUMJFAQSA-N -1 3 366.889 3.483 20 0 FGADHM O=C(Nc1ncccc1[O-])[C@@H]1C[C@]12CCc1cc(Br)ccc12 ZINC000467532634 714076741 /nfs/dbraw/zinc/07/67/41/714076741.db2.gz QHEGCNMUYFJPGT-GUYCJALGSA-N -1 3 359.223 3.392 20 0 FGADHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 ZINC000522257056 714178746 /nfs/dbraw/zinc/17/87/46/714178746.db2.gz DQWGTRPGSFPDBN-ZIAGYGMSSA-N -1 3 361.511 3.141 20 0 FGADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(OCC(C)(C)O)cc2)cc1 ZINC000522956689 714213568 /nfs/dbraw/zinc/21/35/68/714213568.db2.gz CZJZYOTYAGRLSX-UHFFFAOYSA-N -1 3 365.451 3.036 20 0 FGADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)[C@@H](C)OCC(C)C)[nH][n-]1 ZINC000523512410 714238147 /nfs/dbraw/zinc/23/81/47/714238147.db2.gz BSBRBDRHAIOHIH-LLVKDONJSA-N -1 3 351.834 3.160 20 0 FGADHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000524410919 714282224 /nfs/dbraw/zinc/28/22/24/714282224.db2.gz RCURVSJDGHHYMX-ZDUSSCGKSA-N -1 3 361.854 3.310 20 0 FGADHM COc1ccc([O-])c(C(=O)Nc2nnc(Cc3ccccc3F)s2)c1 ZINC000524563569 714288655 /nfs/dbraw/zinc/28/86/55/714288655.db2.gz WMAKYKDBFJNKJF-UHFFFAOYSA-N -1 3 359.382 3.235 20 0 FGADHM C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1ccc(Br)cc1[O-] ZINC000642323378 717966537 /nfs/dbraw/zinc/96/65/37/717966537.db2.gz KARKSBULSFQYDF-VFZGTOFNSA-N -1 3 364.195 3.322 20 0 FGADHM C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000525967927 714391698 /nfs/dbraw/zinc/39/16/98/714391698.db2.gz MHSCVYRVWMRWPR-BDJLRTHQSA-N -1 3 361.829 3.184 20 0 FGADHM COc1cc(C(=O)NC[C@@H](c2ccco2)N2CCCC2)cc(Cl)c1[O-] ZINC000526946199 714414049 /nfs/dbraw/zinc/41/40/49/714414049.db2.gz OWXOSKAQNMQWBB-AWEZNQCLSA-N -1 3 364.829 3.214 20 0 FGADHM CC(C)CN(CCC(=O)[O-])Cc1cc2c(cc1Br)OCO2 ZINC000574577683 714453273 /nfs/dbraw/zinc/45/32/73/714453273.db2.gz DMESFXUIPOYXIR-UHFFFAOYSA-N -1 3 358.232 3.111 20 0 FGADHM Cc1ncc(CNC(=O)NC[C@H](c2ccc(Cl)cc2)C(C)C)c(=O)[n-]1 ZINC000575892882 714459988 /nfs/dbraw/zinc/45/99/88/714459988.db2.gz AITDTSSBXQLAGI-INIZCTEOSA-N -1 3 362.861 3.383 20 0 FGADHM O=C(c1cc(=O)c2cc(Br)ccc2[n-]1)N1C[C@@H]2CCCC[C@@H]21 ZINC000616727260 714596295 /nfs/dbraw/zinc/59/62/95/714596295.db2.gz WAJBVRVNJACEBN-BONVTDFDSA-N -1 3 361.239 3.305 20 0 FGADHM Cc1nc(-c2cccs2)ccc1C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000616825838 714602417 /nfs/dbraw/zinc/60/24/17/714602417.db2.gz BYGUOLWNXLKKDU-HNNXBMFYSA-N -1 3 354.435 3.367 20 0 FGADHM O=C(CCOc1ccc(Cl)cc1Cl)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000616826513 714602589 /nfs/dbraw/zinc/60/25/89/714602589.db2.gz OFKCVVSIYUEZTN-CQSZACIVSA-N -1 3 370.236 3.398 20 0 FGADHM O=C(NC[C@@H](CCO)c1ccccc1)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621908042 715035586 /nfs/dbraw/zinc/03/55/86/715035586.db2.gz KLJBVFYQHXYLGR-CYBMUJFWSA-N -1 3 353.340 3.307 20 0 FGADHM O=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621931413 715037631 /nfs/dbraw/zinc/03/76/31/715037631.db2.gz WMMALISTBIVHMW-RRFJBIMHSA-N -1 3 355.356 3.489 20 0 FGADHM Cc1n[nH]cc1C1CCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)CC1 ZINC000622033524 715048567 /nfs/dbraw/zinc/04/85/67/715048567.db2.gz XEIAPADEYRYQIC-UHFFFAOYSA-N -1 3 353.344 3.462 20 0 FGADHM O=C(Cc1ccc2c(c1)OCO2)N=c1cc(-c2cccc(Cl)c2)[n-][nH]1 ZINC000622891039 715103718 /nfs/dbraw/zinc/10/37/18/715103718.db2.gz BZKOWYSRJJHIKV-UHFFFAOYSA-N -1 3 355.781 3.062 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)c1cncc(OC(C)C)c1)c1nc(C)cs1 ZINC000624957163 715630632 /nfs/dbraw/zinc/63/06/32/715630632.db2.gz ZHJOKDZIGQKXJG-AWEZNQCLSA-N -1 3 355.485 3.063 20 0 FGADHM O=C(CCSCc1nc2ccccc2c(=O)[nH]1)[N-]OC1CCCCC1 ZINC000779320452 724407372 /nfs/dbraw/zinc/40/73/72/724407372.db2.gz LCFASEHFZXPMPN-UHFFFAOYSA-N -1 3 361.467 3.339 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-][C@H](C)CCCc2cccnc2)c(F)c1F ZINC000625248073 715691474 /nfs/dbraw/zinc/69/14/74/715691474.db2.gz SNSNZQGDAJSINV-CYBMUJFWSA-N -1 3 354.422 3.358 20 0 FGADHM O=C(c1cc([O-])cc(Br)c1)N1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000626357292 715892553 /nfs/dbraw/zinc/89/25/53/715892553.db2.gz LRZQEENHZBAFGK-OLZOCXBDSA-N -1 3 368.271 3.434 20 0 FGADHM Cc1cccc([O-])c1C(=O)N(Cc1ccccc1)C[C@@H](O)C(F)(F)F ZINC000626407023 715901045 /nfs/dbraw/zinc/90/10/45/715901045.db2.gz JCYAKNSNSIIYJT-OAHLLOKOSA-N -1 3 353.340 3.266 20 0 FGADHM O=C(N[C@@H](C1CC1)C1CCOCC1)c1cc([O-])cc(Br)c1 ZINC000627990059 716096048 /nfs/dbraw/zinc/09/60/48/716096048.db2.gz PEULXUKZCJVRGC-HNNXBMFYSA-N -1 3 354.244 3.090 20 0 FGADHM O=C(NC[C@H](n1cccn1)C(F)(F)F)c1cc([O-])cc(C(F)(F)F)c1 ZINC000628330177 716140038 /nfs/dbraw/zinc/14/00/38/716140038.db2.gz SXPVTTKTSXUSPT-NSHDSACASA-N -1 3 367.249 3.141 20 0 FGADHM O=C(Cc1ccc([O-])c(F)c1)N[C@H]1CCN(c2ccc(Cl)cc2F)C1 ZINC000629164630 716229403 /nfs/dbraw/zinc/22/94/03/716229403.db2.gz RQISGBCTLWWFJU-ZDUSSCGKSA-N -1 3 366.795 3.261 20 0 FGADHM CCO[C@@H](CS(=O)(=O)[N-]c1cccc(-c2nccs2)c1)C1CC1 ZINC000629287824 716252217 /nfs/dbraw/zinc/25/22/17/716252217.db2.gz YXVDHVSYXDFCEA-HNNXBMFYSA-N -1 3 352.481 3.367 20 0 FGADHM COCc1ccc([N-]S(=O)(=O)Cc2cc(C(C)(C)C)on2)cc1OC ZINC000629329771 716267307 /nfs/dbraw/zinc/26/73/07/716267307.db2.gz QYZJMWLBLNFGLP-UHFFFAOYSA-N -1 3 368.455 3.069 20 0 FGADHM O=C([O-])[C@@H]1CCN(Cc2cc(Cl)c3c(c2)OCCO3)[C@H]2CCC[C@H]21 ZINC000629371706 716278639 /nfs/dbraw/zinc/27/86/39/716278639.db2.gz BKRLLLFQYOZITN-GUTXKFCHSA-N -1 3 351.830 3.186 20 0 FGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2[C@H](C)CCC2(C)C)cc1OC ZINC000631526361 716635404 /nfs/dbraw/zinc/63/54/04/716635404.db2.gz XDIPKUKXRMGGPH-GFCCVEGCSA-N -1 3 369.487 3.252 20 0 FGADHM COc1ccccc1[C@H]([N-]S(=O)(=O)CCC(C)(F)F)c1ccco1 ZINC000632121840 716726349 /nfs/dbraw/zinc/72/63/49/716726349.db2.gz DWYCVLHMSFVIQF-HNNXBMFYSA-N -1 3 359.394 3.342 20 0 FGADHM CC(=O)CCCCC[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000632415375 716772033 /nfs/dbraw/zinc/77/20/33/716772033.db2.gz BAXNJPKLBAANLU-UHFFFAOYSA-N -1 3 366.252 3.016 20 0 FGADHM CC(C)c1c(-c2ccccc2)[n-]n(-c2ccc(S(C)(=O)=O)cc2)c1=O ZINC000634588117 717095464 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722522364 /nfs/dbraw/zinc/52/23/64/722522364.db2.gz AQXHASDPNFNJTE-KBPBESRZSA-N -1 3 359.499 3.042 20 0 FGADHM Fc1cc(-c2nnn[n-]2)ccc1SCc1nnc(-c2ccccc2)o1 ZINC000737644819 722527130 /nfs/dbraw/zinc/52/71/30/722527130.db2.gz NDFLZAQLSIYERA-UHFFFAOYSA-N -1 3 354.370 3.348 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1SCc1nnc(-c2ccccc2)o1 ZINC000737644819 722527131 /nfs/dbraw/zinc/52/71/31/722527131.db2.gz NDFLZAQLSIYERA-UHFFFAOYSA-N -1 3 354.370 3.348 20 0 FGADHM O=S(=O)([N-][C@@H](c1ccccc1)c1ccccn1)c1cccnc1Cl ZINC000738344951 722529762 /nfs/dbraw/zinc/52/97/62/722529762.db2.gz DHXVIZJABLJJRW-INIZCTEOSA-N -1 3 359.838 3.198 20 0 FGADHM O=S(=O)([N-]CCSc1ccc(Cl)cc1)c1cccnc1Cl ZINC000738352084 722529856 /nfs/dbraw/zinc/52/98/56/722529856.db2.gz CELMFDGPWXGJNW-UHFFFAOYSA-N -1 3 363.291 3.459 20 0 FGADHM Cc1ccccc1OCC[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000738361231 722529890 /nfs/dbraw/zinc/52/98/90/722529890.db2.gz NJROTSIGKBJGLD-UHFFFAOYSA-N -1 3 361.250 3.054 20 0 FGADHM 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COc1ccc(S(=O)(=O)[N-]c2cccc(N=S(C)(C)=O)c2)c(C)c1 ZINC000872373509 735621893 /nfs/dbraw/zinc/62/18/93/735621893.db2.gz JBVLYJLGEDNSCA-UHFFFAOYSA-N -1 3 368.480 3.164 20 0 FGADHM CCOC1CC2(C[C@@H]2[N-]S(=O)(=O)c2csnc2-c2ccccc2)C1 ZINC000872657207 735658413 /nfs/dbraw/zinc/65/84/13/735658413.db2.gz QLGSYOWWBIASIM-GULBITTBSA-N -1 3 364.492 3.046 20 0 FGADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)C1(c2cccnc2)CC2(CCC2)C1 ZINC000878093612 736770332 /nfs/dbraw/zinc/77/03/32/736770332.db2.gz KXVDRQAKNRVQEA-UHFFFAOYSA-N -1 3 351.332 3.059 20 0 FGADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)C1(c2cccnc2)CC2(CCC2)C1 ZINC000878093612 736770337 /nfs/dbraw/zinc/77/03/37/736770337.db2.gz KXVDRQAKNRVQEA-UHFFFAOYSA-N -1 3 351.332 3.059 20 0 FGADHM O=c1[n-]c(CN2CC=C(c3cccc(Cl)c3)CC2)nc2c1COCC2 ZINC000878538946 736880808 /nfs/dbraw/zinc/88/08/08/736880808.db2.gz RMPXUQSOLZPSMN-UHFFFAOYSA-N -1 3 357.841 3.198 20 0 FGADHM C[C@H](CO[N-]C(=O)CC(C)(C)CC(F)(F)F)NC(=O)OC(C)(C)C ZINC000879345579 736982687 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O=C(OCc1nnc(-c2ccccc2[O-])o1)[C@@H]1CC[C@H](C(F)(F)F)C1 ZINC000884502616 737670920 /nfs/dbraw/zinc/67/09/20/737670920.db2.gz OPAMSBGKJUQDQV-ZJUUUORDSA-N -1 3 356.300 3.464 20 0 FGADHM O=C(N[C@@H](C1CC1)[C@H]1CCCOC1)c1cc([O-])cc(Br)c1 ZINC000885494417 739156663 /nfs/dbraw/zinc/15/66/63/739156663.db2.gz MIUHZBMOBSANTD-NHYWBVRUSA-N -1 3 354.244 3.090 20 0 FGADHM O=C(c1cc([O-])ccc1Cl)N1CC[C@H](c2nccc(C(F)(F)F)n2)C1 ZINC000887895845 739442636 /nfs/dbraw/zinc/44/26/36/739442636.db2.gz OAQCPDMEVRLWOL-VIFPVBQESA-N -1 3 371.746 3.484 20 0 FGADHM CC(C)OC(=O)c1cc(NC(=O)c2ccsc2Br)[n-]n1 ZINC000888118707 739471963 /nfs/dbraw/zinc/47/19/63/739471963.db2.gz FMBPJLZVRHRBHU-UHFFFAOYSA-N -1 3 358.217 3.051 20 0 FGADHM CC(C)OC(=O)c1cc(NC(=O)c2ccsc2Br)n[n-]1 ZINC000888118707 739471965 /nfs/dbraw/zinc/47/19/65/739471965.db2.gz FMBPJLZVRHRBHU-UHFFFAOYSA-N -1 3 358.217 3.051 20 0 FGADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1F)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000891471586 739905510 /nfs/dbraw/zinc/90/55/10/739905510.db2.gz JECLWFCTSVSOAZ-ZJUUUORDSA-N -1 3 357.311 3.313 20 0 FGADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1F)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000891471586 739905511 /nfs/dbraw/zinc/90/55/11/739905511.db2.gz JECLWFCTSVSOAZ-ZJUUUORDSA-N -1 3 357.311 3.313 20 0 FGADHM C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N1CCCc2c(=O)[n-]cnc21 ZINC000893213421 742125351 /nfs/dbraw/zinc/12/53/51/742125351.db2.gz UETZSLDLRGHWNM-SECBINFHSA-N -1 3 368.220 3.236 20 0 FGADHM COc1cc(Cl)c(Cl)cc1C(=O)N1CCCc2c(=O)[n-]cnc21 ZINC000893212433 742125451 /nfs/dbraw/zinc/12/54/51/742125451.db2.gz FXHNVQZPPQLMQJ-UHFFFAOYSA-N -1 3 354.193 3.091 20 0 FGADHM C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N1CCCc2c(=O)[n-]cnc21 ZINC000893216938 742125752 /nfs/dbraw/zinc/12/57/52/742125752.db2.gz YZGCGYPHYILJPO-VIFPVBQESA-N -1 3 368.220 3.236 20 0 FGADHM CC(C)[C@@H](SCc1ccccc1)C(=O)N1CCCc2c(=O)[n-]cnc21 ZINC000893216467 742125970 /nfs/dbraw/zinc/12/59/70/742125970.db2.gz RUXPEGNNGLEWBH-MRXNPFEDSA-N -1 3 357.479 3.419 20 0 FGADHM Cc1ccc([C@@H](NCc2ccc([O-])c(F)c2)[C@H](C)S(C)(=O)=O)cc1 ZINC000894220044 742254474 /nfs/dbraw/zinc/25/44/74/742254474.db2.gz CVWJHUJUHITBGV-UGSOOPFHSA-N -1 3 351.443 3.104 20 0 FGADHM CCOC(=O)c1nc([C@H](CC(C)C)NCc2ccc(F)cc2F)n[n-]1 ZINC000895104777 742375556 /nfs/dbraw/zinc/37/55/56/742375556.db2.gz MVEXVUNLGGZMEJ-AWEZNQCLSA-N -1 3 352.385 3.137 20 0 FGADHM CCOC(=O)c1nnc([C@H](CC(C)C)NCc2ccc(F)cc2F)[n-]1 ZINC000895104777 742375564 /nfs/dbraw/zinc/37/55/64/742375564.db2.gz MVEXVUNLGGZMEJ-AWEZNQCLSA-N -1 3 352.385 3.137 20 0 FGADHM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NCc2ccc(F)cc2F)n1 ZINC000895104777 742375570 /nfs/dbraw/zinc/37/55/70/742375570.db2.gz MVEXVUNLGGZMEJ-AWEZNQCLSA-N -1 3 352.385 3.137 20 0 FGADHM CCOC(=O)c1nc([C@@H](CC(C)C)NCc2cc(F)cc(F)c2)n[n-]1 ZINC000895104415 742375641 /nfs/dbraw/zinc/37/56/41/742375641.db2.gz KIDKSOUVIVLPPK-CQSZACIVSA-N -1 3 352.385 3.137 20 0 FGADHM CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NCc2cc(F)cc(F)c2)n1 ZINC000895104415 742375650 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CSC1(c2noc([C@H](C)[N-]S(=O)(=O)c3ccc(Cl)cc3)n2)CC1 ZINC000896788761 742597997 /nfs/dbraw/zinc/59/79/97/742597997.db2.gz LEPZGGTYRRYSKR-VIFPVBQESA-N -1 3 373.887 3.115 20 0 FGADHM C[C@@H](Sc1ccccc1Cl)C(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000898210018 742758797 /nfs/dbraw/zinc/75/87/97/742758797.db2.gz AVKQOSFQNXFZOT-GHMZBOCLSA-N -1 3 351.859 3.265 20 0 FGADHM O=C(c1cc(F)c(C(F)(F)F)cc1F)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000898221108 742761409 /nfs/dbraw/zinc/76/14/09/742761409.db2.gz HXCQTAXGGZIVIO-ZETCQYMHSA-N -1 3 361.270 3.042 20 0 FGADHM CCc1sc(C(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)cc1Br ZINC000898221115 742761491 /nfs/dbraw/zinc/76/14/91/742761491.db2.gz IATNXZKBNUYDLE-MRVPVSSYSA-N -1 3 370.272 3.131 20 0 FGADHM O=C(CCc1ccccc1C(F)(F)F)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000898224881 742762115 /nfs/dbraw/zinc/76/21/15/742762115.db2.gz BNKYSWIQXGPSAL-GFCCVEGCSA-N -1 3 353.344 3.083 20 0 FGADHM COC1(OC)CC2(CN(C(=O)c3cc(SC)ccc3[O-])[C@H]2C(C)C)C1 ZINC000898343683 742775199 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GCJXXSZFIAEXON-AWEZNQCLSA-N -1 3 365.886 3.084 20 0 FGADHM O=C([O-])[C@]1(O)CCN(Cc2ccccc2Oc2ccc(F)cc2Cl)C1 ZINC000901904887 743672730 /nfs/dbraw/zinc/67/27/30/743672730.db2.gz TVNBSLOZJRAMNZ-SFHVURJKSA-N -1 3 365.788 3.293 20 0 FGADHM O=C([O-])[C@@H]1OCC[C@@H]1NCc1ccc(-c2ccc(Br)cc2)o1 ZINC000901922915 743678271 /nfs/dbraw/zinc/67/82/71/743678271.db2.gz WNDKVOONEPYFML-DZGCQCFKSA-N -1 3 366.211 3.041 20 0 FGADHM COc1ccc2c(c1)C=C(S(=O)(=O)[N-]c1cnn(C3CCC3)c1)CC2 ZINC000901980671 743690854 /nfs/dbraw/zinc/69/08/54/743690854.db2.gz URQGWVZBDMXFPJ-UHFFFAOYSA-N -1 3 359.451 3.346 20 0 FGADHM C[C@H](CN(Cc1nc2cc(Br)ccc2o1)C1CC1)C(=O)[O-] ZINC000901991856 743694234 /nfs/dbraw/zinc/69/42/34/743694234.db2.gz BRHKGRHVNSAYIU-SECBINFHSA-N -1 3 353.216 3.275 20 0 FGADHM Cc1nc(C[N-]c2nnc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)o2)cs1 ZINC000902150119 743715537 /nfs/dbraw/zinc/71/55/37/743715537.db2.gz PULIVDUCSBLESF-LLVKDONJSA-N -1 3 365.459 3.171 20 0 FGADHM Cc1oc(CN[C@@H]2[C@H]3Cc4ccc(Br)cc4[C@@H]23)cc1C(=O)[O-] ZINC000902504783 743750883 /nfs/dbraw/zinc/75/08/83/743750883.db2.gz QPOSOWMSPJVXAR-ARFHVFGLSA-N -1 3 362.223 3.477 20 0 FGADHM C[C@@H](Oc1ccc(CN2CC[C@]3(CC(F)(F)C3(F)F)C2)cc1)C(=O)[O-] ZINC000902549493 743756026 /nfs/dbraw/zinc/75/60/26/743756026.db2.gz MLHAMEZJLMMAKF-ABAIWWIYSA-N -1 3 361.335 3.405 20 0 FGADHM Cn1c2ccc(F)cc2nc1[N-]S(=O)(=O)C[C@]1(C)CC1(Cl)Cl ZINC000903093928 743803785 /nfs/dbraw/zinc/80/37/85/743803785.db2.gz MCHHOORCUJVEFE-LBPRGKRZSA-N -1 3 366.245 3.038 20 0 FGADHM CC(C)(C)OC(=O)N=c1[n-]cc(-c2nc([C@H]3CCCOC3)no2)s1 ZINC000903401854 743846192 /nfs/dbraw/zinc/84/61/92/743846192.db2.gz CZJHPSRZGLOSNH-VIFPVBQESA-N -1 3 352.416 3.434 20 0 FGADHM O=S(=O)([N-]c1cc(Cl)cnc1Cl)c1ccnn1CC1CCC1 ZINC000903634828 743865878 /nfs/dbraw/zinc/86/58/78/743865878.db2.gz QPYQUTOAHCFKEO-UHFFFAOYSA-N -1 3 361.254 3.186 20 0 FGADHM O=C([O-])[C@@H]1CCN(CCOc2ccc(F)cc2Cl)[C@H]([C@@H]2CCCO2)C1 ZINC000903940480 743901111 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FGADHM O=S(=O)(N=S1(=O)CCCC1)[N-]c1cccc(CCC(F)(F)F)c1 ZINC000905094938 743992860 /nfs/dbraw/zinc/99/28/60/743992860.db2.gz BZGXQPIPRPIGKO-UHFFFAOYSA-N -1 3 370.418 3.100 20 0 FGADHM CC(C)(C)[S@](C)(=O)=NS(=O)(=O)[N-]c1c(F)cc(Cl)cc1F ZINC000906065539 744088006 /nfs/dbraw/zinc/08/80/06/744088006.db2.gz SQYYIYNEDHSEEG-FQEVSTJZSA-N -1 3 360.835 3.171 20 0 FGADHM O=c1cc(-c2nc(Cc3ccc(Br)cc3)no2)nc(C2CC2)[n-]1 ZINC000906095606 744091956 /nfs/dbraw/zinc/09/19/56/744091956.db2.gz YHPHPXUJHFHKAG-UHFFFAOYSA-N -1 3 373.210 3.463 20 0 FGADHM C[C@@H](CNC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1)c1nccs1 ZINC000907360800 744206931 /nfs/dbraw/zinc/20/69/31/744206931.db2.gz GGVPEGXSLCGPEN-VIFPVBQESA-N -1 3 368.484 3.480 20 0 FGADHM CC[C@](C)(NC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1)C(=O)[O-] ZINC000908749841 744314913 /nfs/dbraw/zinc/31/49/13/744314913.db2.gz ZJYWDEDGPBHQPK-KSSFIOAISA-N -1 3 367.515 3.074 20 0 FGADHM CCCN(C(=O)NC[C@@H](c1cccs1)N1CCCC1)[C@@H](CC)C(=O)[O-] ZINC000908753459 744315458 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ZINC000054353954 494224647 /nfs/dbraw/zinc/22/46/47/494224647.db2.gz BWVQBSPOBRLVTN-UHFFFAOYSA-N -1 3 357.479 3.347 20 0 FGADHM Cc1ccc2c(ncc(C(=O)[O-])c2N2CCC(Cn3ccnn3)CC2)c1C ZINC000571331693 505708508 /nfs/dbraw/zinc/70/85/08/505708508.db2.gz TYQAGCORPUHJNR-UHFFFAOYSA-N -1 3 365.437 3.058 20 0 FGADHM Cc1nc(C)c(CCC(=O)N[C@H](C)c2ccccc2C(F)(F)F)c(=O)[n-]1 ZINC000065718556 494228368 /nfs/dbraw/zinc/22/83/68/494228368.db2.gz URLMHKCBUUSRQT-SNVBAGLBSA-N -1 3 367.371 3.216 20 0 FGADHM CCO[C@H]1C[C@@H](N(C)C(=O)N=c2cc3ccccn3[n-]2)C12CCCCC2 ZINC000580231115 505708892 /nfs/dbraw/zinc/70/88/92/505708892.db2.gz PXXYHXZIJADOCS-SJORKVTESA-N -1 3 356.470 3.348 20 0 FGADHM O=C([O-])C[C@@H]1CSCCN1Cc1ccc(OCc2cccnc2)cc1 ZINC000574164375 505709411 /nfs/dbraw/zinc/70/94/11/505709411.db2.gz KLWKFUYALQIMIE-QGZVFWFLSA-N -1 3 358.463 3.053 20 0 FGADHM O=C([O-])C[C@H]1CSCCN1Cc1ccc(OCc2cccnc2)cc1 ZINC000574164372 505709617 /nfs/dbraw/zinc/70/96/17/505709617.db2.gz KLWKFUYALQIMIE-KRWDZBQOSA-N -1 3 358.463 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/nfs/dbraw/zinc/31/05/76/494310576.db2.gz PZMGVNISNBWOIZ-UHFFFAOYSA-N -1 3 366.425 3.169 20 0 FGADHM C[C@@H]1CCC[C@H](C)N1C(=O)CN1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000078657782 494337719 /nfs/dbraw/zinc/33/77/19/494337719.db2.gz VJTHRJURBPMLEN-IYBDPMFKSA-N -1 3 358.482 3.076 20 0 FGADHM O=C(c1ccccc1[O-])N1CCCN(C(=O)c2ccccc2Cl)CC1 ZINC000055525597 494355288 /nfs/dbraw/zinc/35/52/88/494355288.db2.gz KIQQSSRVPQUPFV-UHFFFAOYSA-N -1 3 358.825 3.034 20 0 FGADHM CCOc1cc2c(cc1OCC)CN([C@H](C)C(=O)[N-]c1cc(C)no1)CC2 ZINC000073369757 494363602 /nfs/dbraw/zinc/36/36/02/494363602.db2.gz USQGMSFDAGGRIO-CQSZACIVSA-N -1 3 373.453 3.166 20 0 FGADHM NC(=O)c1ccc(F)c([N-]C(=O)c2cc(-c3ccccc3Cl)on2)c1 ZINC000044630231 494370766 /nfs/dbraw/zinc/37/07/66/494370766.db2.gz KLTPTVAGRRCGGM-UHFFFAOYSA-N -1 3 359.744 3.485 20 0 FGADHM CCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2ccccc2OC)c1 ZINC000055622197 494375035 /nfs/dbraw/zinc/37/50/35/494375035.db2.gz DFFIGMNMBDHFDQ-UHFFFAOYSA-N -1 3 368.842 3.498 20 0 FGADHM O=S(=O)([N-]Cc1cn2cc(Cl)ccc2n1)c1ccc(Cl)s1 ZINC000044790375 494381856 /nfs/dbraw/zinc/38/18/56/494381856.db2.gz PPHBSTGPMKWVIS-UHFFFAOYSA-N -1 3 362.263 3.181 20 0 FGADHM C[C@H](COc1ccc(F)cc1F)NC(=O)c1c[n-]c2ccccc2c1=O ZINC000055699182 494392086 /nfs/dbraw/zinc/39/20/86/494392086.db2.gz ULUZDJNLMNAELF-LLVKDONJSA-N -1 3 358.344 3.004 20 0 FGADHM CNC(=O)c1sc2[n-]c(Cc3ccc(C(C)C)cc3)nc(=O)c2c1C ZINC000045112108 494397731 /nfs/dbraw/zinc/39/77/31/494397731.db2.gz HBINTWAYGGIABC-UHFFFAOYSA-N -1 3 355.463 3.367 20 0 FGADHM COC(=O)c1sc2[n-]c(CN(C)[C@@H]3CCC[C@H](C)C3)nc(=O)c2c1C ZINC000073618778 494400208 /nfs/dbraw/zinc/40/02/08/494400208.db2.gz SSUIOCWNVJVHMX-CMPLNLGQSA-N -1 3 363.483 3.090 20 0 FGADHM Cc1nc(C)c(CCC(=O)N2CCC[C@H](c3ccccc3)CC2)c(=O)[n-]1 ZINC000066764671 494403474 /nfs/dbraw/zinc/40/34/74/494403474.db2.gz XSBGVXRIYRYCNE-SFHVURJKSA-N -1 3 353.466 3.116 20 0 FGADHM O=C(Nc1nnc(-c2ccco2)[n-]1)c1cnn(-c2cccc(Cl)c2)c1 ZINC000079205971 494418782 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FGADHM COc1cc(C(=O)NCC2(c3ccc(F)cc3F)CC2)cc(OC)c1[O-] ZINC000134871179 495213345 /nfs/dbraw/zinc/21/33/45/495213345.db2.gz AHBYQYGRFNVQCJ-UHFFFAOYSA-N -1 3 363.360 3.149 20 0 FGADHM O=C(Nc1nnc(-c2ccco2)[n-]1)c1ccnc(SCC(F)(F)F)c1 ZINC000112634881 495215752 /nfs/dbraw/zinc/21/57/52/495215752.db2.gz VOXTVKQRKZQJKI-UHFFFAOYSA-N -1 3 369.328 3.366 20 0 FGADHM O=C(Nc1nc(-c2ccco2)n[n-]1)c1ccnc(SCC(F)(F)F)c1 ZINC000112634881 495215754 /nfs/dbraw/zinc/21/57/54/495215754.db2.gz VOXTVKQRKZQJKI-UHFFFAOYSA-N -1 3 369.328 3.366 20 0 FGADHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1ccnc(SCC(F)(F)F)c1 ZINC000112634881 495215756 /nfs/dbraw/zinc/21/57/56/495215756.db2.gz VOXTVKQRKZQJKI-UHFFFAOYSA-N -1 3 369.328 3.366 20 0 FGADHM CCC(CC)CNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000112635936 495215894 /nfs/dbraw/zinc/21/58/94/495215894.db2.gz MHEOEXVTONVLNE-UHFFFAOYSA-N -1 3 351.244 3.457 20 0 FGADHM CCOC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000103333457 495223134 /nfs/dbraw/zinc/22/31/34/495223134.db2.gz AMYKYFRTBBVUJL-UHFFFAOYSA-N -1 3 357.790 3.457 20 0 FGADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)Nc1nc2ccccc2s1 ZINC000103428491 495230502 /nfs/dbraw/zinc/23/05/02/495230502.db2.gz SBUKFZYVVHPKQN-UHFFFAOYSA-N -1 3 365.418 3.001 20 0 FGADHM CCN1CCC(NC(=O)c2cc(Br)cc(Cl)c2[O-])CC1 ZINC000124126340 495237839 /nfs/dbraw/zinc/23/78/39/495237839.db2.gz TUESNZIDBYGBAI-UHFFFAOYSA-N -1 3 361.667 3.022 20 0 FGADHM O=C(Nc1nnc(-c2ccccn2)[n-]1)c1ccc(F)cc1C(F)(F)F ZINC000135011783 495238284 /nfs/dbraw/zinc/23/82/84/495238284.db2.gz HOVKDXKHLZVNKO-UHFFFAOYSA-N -1 3 351.263 3.277 20 0 FGADHM O=C(Nc1nc(-c2ccccn2)n[n-]1)c1ccc(F)cc1C(F)(F)F ZINC000135011783 495238285 /nfs/dbraw/zinc/23/82/85/495238285.db2.gz HOVKDXKHLZVNKO-UHFFFAOYSA-N -1 3 351.263 3.277 20 0 FGADHM O=C(Nc1n[n-]c(-c2ccccn2)n1)c1ccc(F)cc1C(F)(F)F ZINC000135011783 495238289 /nfs/dbraw/zinc/23/82/89/495238289.db2.gz HOVKDXKHLZVNKO-UHFFFAOYSA-N -1 3 351.263 3.277 20 0 FGADHM CC[C@@H](CC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)c1ccccc1 ZINC000103520161 495245987 /nfs/dbraw/zinc/24/59/87/495245987.db2.gz QRVXAOFAPNYQCZ-KRWDZBQOSA-N -1 3 366.461 3.261 20 0 FGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1F ZINC000112863145 495248911 /nfs/dbraw/zinc/24/89/11/495248911.db2.gz NYCQVZDIEXOPIK-OLZOCXBDSA-N -1 3 366.389 3.079 20 0 FGADHM O=C(N[C@H](C[C@@H]1CCOC1)c1ccccc1)c1c[n-]c2ccccc2c1=O ZINC000119824672 495249543 /nfs/dbraw/zinc/24/95/43/495249543.db2.gz QIMXPTFYRNKHCB-MGPUTAFESA-N -1 3 362.429 3.426 20 0 FGADHM C[C@H](Oc1ccc(F)cc1Cl)C(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000112897087 495253459 /nfs/dbraw/zinc/25/34/59/495253459.db2.gz TWJUBTZRYOZAAN-QMMMGPOBSA-N -1 3 350.737 3.263 20 0 FGADHM C[C@H](Oc1ccc(F)cc1Cl)C(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000112897087 495253463 /nfs/dbraw/zinc/25/34/63/495253463.db2.gz TWJUBTZRYOZAAN-QMMMGPOBSA-N -1 3 350.737 3.263 20 0 FGADHM C[C@H](Oc1ccc(F)cc1Cl)C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000112897087 495253467 /nfs/dbraw/zinc/25/34/67/495253467.db2.gz TWJUBTZRYOZAAN-QMMMGPOBSA-N -1 3 350.737 3.263 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N3CCC(C4CCOCC4)CC3)c[n-]c12 ZINC000124280498 495261868 /nfs/dbraw/zinc/26/18/68/495261868.db2.gz IQPCCRFPABEIPO-UHFFFAOYSA-N -1 3 372.440 3.254 20 0 FGADHM COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)[N-][C@H]1CCCC[C@@H]1C ZINC000568757069 505771610 /nfs/dbraw/zinc/77/16/10/505771610.db2.gz HHYCPLNAXOXXNF-GWCFXTLKSA-N -1 3 374.890 3.164 20 0 FGADHM CCn1c(SCC(=O)Nc2ccc([O-])cc2F)nnc1-c1ccco1 ZINC000124373107 495277284 /nfs/dbraw/zinc/27/72/84/495277284.db2.gz ZKFVCVVIELBVDG-UHFFFAOYSA-N -1 3 362.386 3.134 20 0 FGADHM Cc1nc(C)c(CC(=O)Nc2ccc(Sc3ccncc3)cc2)c(=O)[n-]1 ZINC000119974505 495280317 /nfs/dbraw/zinc/28/03/17/495280317.db2.gz BDQUBARZOWRGRF-UHFFFAOYSA-N -1 3 366.446 3.114 20 0 FGADHM COc1ccc(CN(C(=O)c2ccc3n[n-]nc3c2)[C@H](C)C2CC2)cc1 ZINC000577681826 505774095 /nfs/dbraw/zinc/77/40/95/505774095.db2.gz CXCWSWOSRMFPMK-CYBMUJFWSA-N -1 3 350.422 3.407 20 0 FGADHM CC(C)(C)c1csc(CCNC(=O)c2c[n-]c3ccccc3c2=O)n1 ZINC000104577802 495290986 /nfs/dbraw/zinc/29/09/86/495290986.db2.gz QNTXCIWFOYAHBJ-UHFFFAOYSA-N -1 3 355.463 3.255 20 0 FGADHM CCC(CC)CS(=O)(=O)[N-][C@H](c1nc(-c2cccnc2)no1)C(C)C ZINC000113286606 495293043 /nfs/dbraw/zinc/29/30/43/495293043.db2.gz HNZBBIAUHMUORD-HNNXBMFYSA-N -1 3 366.487 3.184 20 0 FGADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCC[C@@H](C)C2)cc1Cl ZINC000104734772 495302095 /nfs/dbraw/zinc/30/20/95/495302095.db2.gz BNGOCWNZXFNFGJ-MWLCHTKSSA-N -1 3 362.854 3.295 20 0 FGADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]Cc2ccccc2C)cc1Cl ZINC000104732986 495302217 /nfs/dbraw/zinc/30/22/17/495302217.db2.gz WWKMHDJPEGEBJR-UHFFFAOYSA-N -1 3 370.833 3.224 20 0 FGADHM O=C(N[C@H](CN1CCCC1)c1ccccc1)c1c[n-]c2ccccc2c1=O ZINC000124529329 495302305 /nfs/dbraw/zinc/30/23/05/495302305.db2.gz YSAZOSTZVLCYLA-HXUWFJFHSA-N -1 3 361.445 3.095 20 0 FGADHM Cc1cc(C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)cc(C)c1OC(F)F ZINC000135567551 495312135 /nfs/dbraw/zinc/31/21/35/495312135.db2.gz LWTIFUODFIFJNS-UHFFFAOYSA-N -1 3 373.363 3.261 20 0 FGADHM Cc1cc(C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)cc(C)c1OC(F)F ZINC000135567551 495312141 /nfs/dbraw/zinc/31/21/41/495312141.db2.gz LWTIFUODFIFJNS-UHFFFAOYSA-N -1 3 373.363 3.261 20 0 FGADHM CC(C)(CO)[C@H]([N-]S(=O)(=O)c1ccc(F)cc1F)c1cccs1 ZINC000568776814 505775118 /nfs/dbraw/zinc/77/51/18/505775118.db2.gz JLMXYFAJEQGMLX-CQSZACIVSA-N -1 3 361.435 3.064 20 0 FGADHM C[C@@H](Oc1cccc(CO)c1)C(=O)Nc1ccc(Br)cc1[O-] ZINC000135885466 495340870 /nfs/dbraw/zinc/34/08/70/495340870.db2.gz GSJQZPRVPABINC-SNVBAGLBSA-N -1 3 366.211 3.053 20 0 FGADHM COC(=O)c1ccc(C(=O)Nc2cc(C(C)C)nn2Cc2ccccc2)[n-]1 ZINC000568780349 505775877 /nfs/dbraw/zinc/77/58/77/505775877.db2.gz XHJSBFVUQNMFSL-UHFFFAOYSA-N -1 3 366.421 3.422 20 0 FGADHM CCCOc1ccc(-c2nc(-c3cc(=O)[n-]cn3)no2)c(OCCC)c1 ZINC000574452153 505776046 /nfs/dbraw/zinc/77/60/46/505776046.db2.gz ASPTYCDBKOPITI-UHFFFAOYSA-N -1 3 356.382 3.477 20 0 FGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@@H](C)c2ccccc2)cc1OC ZINC000120347044 495357889 /nfs/dbraw/zinc/35/78/89/495357889.db2.gz AULPHQDIWVJHTK-ZDUSSCGKSA-N -1 3 362.451 3.199 20 0 FGADHM O=C([O-])CN(CCOCC(F)(F)C(F)F)Cc1ccc(Cl)cc1 ZINC000574458333 505777424 /nfs/dbraw/zinc/77/74/24/505777424.db2.gz DVHBMDQTTUYBHO-UHFFFAOYSA-N -1 3 357.731 3.144 20 0 FGADHM COc1ccc(OC)c(S(=O)(=O)[N-][C@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000105627866 495378640 /nfs/dbraw/zinc/37/86/40/495378640.db2.gz REGVJYWSXFZZHA-QWRGUYRKSA-N -1 3 367.389 3.103 20 0 FGADHM C[C@@H](CC1CCCCC1)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000114537247 495390070 /nfs/dbraw/zinc/39/00/70/495390070.db2.gz WRPBUAWGUMZHCO-INIZCTEOSA-N -1 3 358.482 3.283 20 0 FGADHM C[C@@H](CC1CCCC1)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1[O-] ZINC000114537653 495390631 /nfs/dbraw/zinc/39/06/31/495390631.db2.gz MYHWSJRGCYOXOO-ZDUSSCGKSA-N -1 3 366.483 3.087 20 0 FGADHM COc1cccc(C(=O)NCc2cccc(NC(=O)CC(C)C)c2)c1[O-] ZINC000120512176 495394806 /nfs/dbraw/zinc/39/48/06/495394806.db2.gz AWCWTYCTLYXKPC-UHFFFAOYSA-N -1 3 356.422 3.315 20 0 FGADHM COc1cc(CCC(=O)Nc2ccc(-c3nnn[n-]3)cc2)ccc1Cl ZINC000125156580 495399023 /nfs/dbraw/zinc/39/90/23/495399023.db2.gz CJWCVPHLTZXOPN-UHFFFAOYSA-N -1 3 357.801 3.100 20 0 FGADHM COc1cc(CCC(=O)Nc2ccc(-c3nn[n-]n3)cc2)ccc1Cl ZINC000125156580 495399027 /nfs/dbraw/zinc/39/90/27/495399027.db2.gz CJWCVPHLTZXOPN-UHFFFAOYSA-N -1 3 357.801 3.100 20 0 FGADHM O=C(c1cc(OCc2ccccc2)ccc1[O-])N1CCN(CC2CC2)CC1 ZINC000130543868 495408738 /nfs/dbraw/zinc/40/87/38/495408738.db2.gz MZWRGBLNNMAOHV-UHFFFAOYSA-N -1 3 366.461 3.139 20 0 FGADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1cc(Cl)cc2cccnc21 ZINC000136990694 495415951 /nfs/dbraw/zinc/41/59/51/495415951.db2.gz VYQYSPKSIPNGGR-UHFFFAOYSA-N -1 3 364.796 3.244 20 0 FGADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1cc(Cl)cc2cccnc21 ZINC000136990694 495415954 /nfs/dbraw/zinc/41/59/54/495415954.db2.gz VYQYSPKSIPNGGR-UHFFFAOYSA-N -1 3 364.796 3.244 20 0 FGADHM O=C(CCNC(=O)Cc1ccccc1)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000125351270 495430217 /nfs/dbraw/zinc/43/02/17/495430217.db2.gz KDKRBINQUDMZCW-UHFFFAOYSA-N -1 3 366.339 3.099 20 0 FGADHM C[C@@H](O)C[C@@H](C)C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000120800288 495460269 /nfs/dbraw/zinc/46/02/69/495460269.db2.gz BUGSIENJSGLDGD-RKDXNWHRSA-N -1 3 359.797 3.044 20 0 FGADHM Cc1ccc(C(=O)NCc2cccc(NC(=O)[C@@H]3CCCO3)c2)c([O-])c1C ZINC000130909547 495464653 /nfs/dbraw/zinc/46/46/53/495464653.db2.gz CAFULNLTQJGWBR-SFHVURJKSA-N -1 3 368.433 3.057 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)[C@H]1C[C@H]1c1c(F)cccc1Cl ZINC000130954286 495470973 /nfs/dbraw/zinc/47/09/73/495470973.db2.gz KHDMWWDWRMQKTQ-NEPJUHHUSA-N -1 3 357.776 3.401 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)[C@H]1C[C@H]1c1c(F)cccc1Cl ZINC000130954286 495470978 /nfs/dbraw/zinc/47/09/78/495470978.db2.gz KHDMWWDWRMQKTQ-NEPJUHHUSA-N -1 3 357.776 3.401 20 0 FGADHM CCc1cc(=O)[n-]c(CSCc2noc(-c3ccc(OC)cc3)n2)n1 ZINC000125693386 495483894 /nfs/dbraw/zinc/48/38/94/495483894.db2.gz ITRORSXXPIVWBF-UHFFFAOYSA-N -1 3 358.423 3.237 20 0 FGADHM Cc1cccc([C@H]2CCCN2C(=O)CCc2c(C)nc(C)[n-]c2=O)c1C ZINC000125719213 495487138 /nfs/dbraw/zinc/48/71/38/495487138.db2.gz YYJUODXBQVPSMY-LJQANCHMSA-N -1 3 353.466 3.300 20 0 FGADHM CCc1cc(=O)[n-]c(CS[C@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)n1 ZINC000125756845 495494361 /nfs/dbraw/zinc/49/43/61/495494361.db2.gz SMRYUYBLXSPCPK-VXGBXAGGSA-N -1 3 363.458 3.383 20 0 FGADHM CCc1cc(=O)[n-]c(CS[C@H](C)C(=O)NC[C@H](C)c2ccccc2)n1 ZINC000125775403 495497295 /nfs/dbraw/zinc/49/72/95/495497295.db2.gz PTRUYXGHBAQVCP-UONOGXRCSA-N -1 3 359.495 3.286 20 0 FGADHM CCc1cc(=O)[n-]c(CS[C@@H](C)C(=O)NC[C@H](C)c2ccccc2)n1 ZINC000125775171 495497336 /nfs/dbraw/zinc/49/73/36/495497336.db2.gz PTRUYXGHBAQVCP-KBPBESRZSA-N -1 3 359.495 3.286 20 0 FGADHM Cc1cc(C)cc(-c2nnc([N-]C(=O)c3cc(C(N)=O)cs3)s2)c1 ZINC000115458176 495507018 /nfs/dbraw/zinc/50/70/18/495507018.db2.gz BLBNHSXVRIXRDN-UHFFFAOYSA-N -1 3 358.448 3.235 20 0 FGADHM C[C@H](c1ccc(C(F)(F)F)cc1)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC000580561160 505786375 /nfs/dbraw/zinc/78/63/75/505786375.db2.gz NLRCRLCKLPCESO-RISCZKNCSA-N -1 3 368.359 3.393 20 0 FGADHM COc1cccc(C(=O)Nc2cccn(Cc3ccc(F)cc3)c2=O)c1[O-] ZINC000121040289 495509281 /nfs/dbraw/zinc/50/92/81/495509281.db2.gz VRTQBJMBLCJYCX-UHFFFAOYSA-N -1 3 368.364 3.002 20 0 FGADHM Cc1csc([C@@H]([N-]S(=O)(=O)c2cccc3cccnc32)C2CC2)n1 ZINC000173467860 495543630 /nfs/dbraw/zinc/54/36/30/495543630.db2.gz VNJVLLSLAVKGBE-INIZCTEOSA-N -1 3 359.476 3.429 20 0 FGADHM CCO[C@@H]1C[C@@H](N(C)C(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)C1(C)C ZINC000158656945 495559907 /nfs/dbraw/zinc/55/99/07/495559907.db2.gz YMDOEBAAWIYNMM-HZPDHXFCSA-N -1 3 360.429 3.251 20 0 FGADHM C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)Nc1cc(-c2nccn2C)[n-]n1 ZINC000185430569 495574639 /nfs/dbraw/zinc/57/46/39/495574639.db2.gz KQWPVRMMDJQOSC-NSHDSACASA-N -1 3 371.828 3.311 20 0 FGADHM C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)Nc1cc(-c2nccn2C)n[n-]1 ZINC000185430569 495574642 /nfs/dbraw/zinc/57/46/42/495574642.db2.gz KQWPVRMMDJQOSC-NSHDSACASA-N -1 3 371.828 3.311 20 0 FGADHM COc1ccc([C@H]2CCCN2C(=O)/C=C/c2cncc([O-])c2)c(OC)c1 ZINC000179399175 495576944 /nfs/dbraw/zinc/57/69/44/495576944.db2.gz XTCKXGBQYMBXIT-KRZKXXONSA-N -1 3 354.406 3.181 20 0 FGADHM O=C(c1ccc2c(c1[O-])CCCC2)N1CCCN(c2nccs2)CC1 ZINC000185443654 495578905 /nfs/dbraw/zinc/57/89/05/495578905.db2.gz ZPISEWTZVUJGFI-UHFFFAOYSA-N -1 3 357.479 3.080 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NC[C@@H]2CC=CCC2)c1 ZINC000185448115 495580870 /nfs/dbraw/zinc/58/08/70/495580870.db2.gz YYTOXZRWLQEIHR-CYBMUJFWSA-N -1 3 355.394 3.027 20 0 FGADHM CC(C)CC1(CNC(=O)c2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)CCCC1 ZINC000158778292 495587558 /nfs/dbraw/zinc/58/75/58/495587558.db2.gz ZAZZKEMOWZDYAT-FQEVSTJZSA-N -1 3 371.481 3.078 20 0 FGADHM CSC1(C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CCOCC1 ZINC000173571630 495593529 /nfs/dbraw/zinc/59/35/29/495593529.db2.gz IAWVFDPAPPKLTN-UHFFFAOYSA-N -1 3 370.323 3.184 20 0 FGADHM O=C([O-])c1ccc(Cl)c(CN2C[C@@H](c3ccsc3)[C@H](CO)C2)c1 ZINC000580583281 505791147 /nfs/dbraw/zinc/79/11/47/505791147.db2.gz TUYYZSJIEAXYQR-GJZGRUSLSA-N -1 3 351.855 3.308 20 0 FGADHM Cc1ccc(NC(=O)c2nn(-c3ccccc3)cc2[O-])c(CN(C)C)c1 ZINC000173574947 495594915 /nfs/dbraw/zinc/59/49/15/495594915.db2.gz BHVNXKLEEIPSQV-UHFFFAOYSA-N -1 3 350.422 3.200 20 0 FGADHM Cc1c([O-])ccc2c(CN3CCC(O)(c4ccccc4)CC3)cc(=O)oc12 ZINC000185485757 495595036 /nfs/dbraw/zinc/59/50/36/495595036.db2.gz FTXOICRJBQOASF-UHFFFAOYSA-N -1 3 365.429 3.291 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)c1c(C)nn(CC(C)C)c1C)c1nc(C)cs1 ZINC000182600376 495630483 /nfs/dbraw/zinc/63/04/83/495630483.db2.gz UNJCVKWNAYDTPC-AWEZNQCLSA-N -1 3 370.544 3.350 20 0 FGADHM Cc1cc(C)c(C(=O)Nc2ccc(F)c([N-]S(C)(=O)=O)c2)c(C)c1 ZINC000179532650 495630774 /nfs/dbraw/zinc/63/07/74/495630774.db2.gz HPIAIBFQXUZOPI-UHFFFAOYSA-N -1 3 350.415 3.375 20 0 FGADHM COc1ccc(C(=O)Nc2cc(Br)ccc2[O-])c(OC)c1 ZINC000176439422 495650471 /nfs/dbraw/zinc/65/04/71/495650471.db2.gz WVJBCFWCBRKDQY-UHFFFAOYSA-N -1 3 352.184 3.424 20 0 FGADHM O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000170928354 495655704 /nfs/dbraw/zinc/65/57/04/495655704.db2.gz DVMHRBSNUMGZCE-UHFFFAOYSA-N -1 3 372.380 3.402 20 0 FGADHM CCCC1(CNC(=O)Cc2csc(NC(=O)c3cccc([O-])c3)n2)CC1 ZINC000150891009 495670454 /nfs/dbraw/zinc/67/04/54/495670454.db2.gz NNWIHTNUMQEPSG-UHFFFAOYSA-N -1 3 373.478 3.340 20 0 FGADHM C[C@@H](Cc1ccc(Br)cc1)NC(=O)c1cccc2nn[n-]c21 ZINC000182721187 495676276 /nfs/dbraw/zinc/67/62/76/495676276.db2.gz LPCKJKPCGQDRRF-JTQLQIEISA-N -1 3 359.227 3.081 20 0 FGADHM C[C@@H](Cc1ccc(Br)cc1)NC(=O)c1cccc2[n-]nnc21 ZINC000182721187 495676280 /nfs/dbraw/zinc/67/62/80/495676280.db2.gz LPCKJKPCGQDRRF-JTQLQIEISA-N -1 3 359.227 3.081 20 0 FGADHM C[C@@H](Cc1ccc(Br)cc1)NC(=O)c1cccc2n[n-]nc21 ZINC000182721187 495676284 /nfs/dbraw/zinc/67/62/84/495676284.db2.gz LPCKJKPCGQDRRF-JTQLQIEISA-N -1 3 359.227 3.081 20 0 FGADHM Cc1ccc(-n2cnnc2SCC(=O)Nc2cc(F)ccc2[O-])cc1C ZINC000179652000 495677317 /nfs/dbraw/zinc/67/73/17/495677317.db2.gz IKPNLNDUSHWWOS-UHFFFAOYSA-N -1 3 372.425 3.460 20 0 FGADHM O=C(Nc1cc(Br)ccc1[O-])c1cc2ccccc2c(=O)[nH]1 ZINC000179653195 495677555 /nfs/dbraw/zinc/67/75/55/495677555.db2.gz LCRZKXYNMHKZLP-UHFFFAOYSA-N -1 3 359.179 3.249 20 0 FGADHM Cc1cc([N-]C(=O)c2cc(I)c(F)cc2F)no1 ZINC000154647210 495683176 /nfs/dbraw/zinc/68/31/76/495683176.db2.gz XMRZGPIXFKRTEV-UHFFFAOYSA-N -1 3 364.089 3.118 20 0 FGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@H]2C[C@]2(C)C(C)C)cc1OC ZINC000185705556 495689170 /nfs/dbraw/zinc/68/91/70/495689170.db2.gz IVKPCIQYSWJBGL-CXAGYDPISA-N -1 3 354.472 3.078 20 0 FGADHM O=C(N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)c1ccc(O)cc1[O-] ZINC000179689755 495691484 /nfs/dbraw/zinc/69/14/84/495691484.db2.gz LHIGOLCRXYWEQM-ZBFHGGJFSA-N -1 3 351.761 3.150 20 0 FGADHM O=C(N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)c1ccc(O)cc1[O-] ZINC000179689738 495692275 /nfs/dbraw/zinc/69/22/75/495692275.db2.gz LHIGOLCRXYWEQM-GDBMZVCRSA-N -1 3 351.761 3.150 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)c3cc(F)c(F)c(F)c3F)[n-]c21 ZINC000159276089 495700443 /nfs/dbraw/zinc/70/04/43/495700443.db2.gz QRNYHGVFZJFLQR-UHFFFAOYSA-N -1 3 367.258 3.158 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cc(F)c(F)c(F)c3F)nc21 ZINC000159276089 495700446 /nfs/dbraw/zinc/70/04/46/495700446.db2.gz QRNYHGVFZJFLQR-UHFFFAOYSA-N -1 3 367.258 3.158 20 0 FGADHM CCOCCC1(C(=O)Nc2nc3cccc(C(=O)OC)c3[n-]2)CCCC1 ZINC000159299526 495704580 /nfs/dbraw/zinc/70/45/80/495704580.db2.gz UQBZIOSKVLJACF-UHFFFAOYSA-N -1 3 359.426 3.275 20 0 FGADHM CCOCCC1(C(=O)Nc2nc3c(cccc3C(=O)OC)[n-]2)CCCC1 ZINC000159299526 495704586 /nfs/dbraw/zinc/70/45/86/495704586.db2.gz UQBZIOSKVLJACF-UHFFFAOYSA-N -1 3 359.426 3.275 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)NC[C@@H](c3ccccc3)N(C)C)c[n-]c12 ZINC000154850720 495748929 /nfs/dbraw/zinc/74/89/29/495748929.db2.gz OYUMLWGHSYXWSK-SFHVURJKSA-N -1 3 367.424 3.008 20 0 FGADHM Cc1nc(C)c(S(=O)(=O)[N-][C@H](C)c2cccc(N3CCCC3)c2)s1 ZINC000176701285 495753651 /nfs/dbraw/zinc/75/36/51/495753651.db2.gz GPYXELFEAGSRSR-GFCCVEGCSA-N -1 3 365.524 3.400 20 0 FGADHM COCCOCc1cc(C(=O)N2CCCc3cccc([O-])c32)ccc1F ZINC000182919518 495758172 /nfs/dbraw/zinc/75/81/72/495758172.db2.gz DEYWANMGGSDYCQ-UHFFFAOYSA-N -1 3 359.397 3.287 20 0 FGADHM CO[C@@H](C)c1cccc(NC(=O)CCNC(=O)c2ccc(C)cc2[O-])c1 ZINC000171187111 495761309 /nfs/dbraw/zinc/76/13/09/495761309.db2.gz CKYNTUUEQVMVEL-AWEZNQCLSA-N -1 3 356.422 3.167 20 0 FGADHM O=C(NC1CCCC1)c1ccc(NC([O-])=NOCc2cccnc2)cc1 ZINC000182938607 495765901 /nfs/dbraw/zinc/76/59/01/495765901.db2.gz RYUZHOVVYBKTIK-UHFFFAOYSA-N -1 3 354.410 3.007 20 0 FGADHM O=C([N-]OCc1cccnc1)Nc1ccc(C(=O)NC2CCCC2)cc1 ZINC000182938607 495765906 /nfs/dbraw/zinc/76/59/06/495765906.db2.gz RYUZHOVVYBKTIK-UHFFFAOYSA-N -1 3 354.410 3.007 20 0 FGADHM COc1cccc(C(=O)N2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)c1[O-] ZINC000171207520 495770339 /nfs/dbraw/zinc/77/03/39/495770339.db2.gz FRAMOXLJEHNIPD-MRXNPFEDSA-N -1 3 365.788 3.407 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1ccc2c(c1)OCO2)c1ncc(-c2ccccc2)o1 ZINC000182947461 495770812 /nfs/dbraw/zinc/77/08/12/495770812.db2.gz QXCMANTYMHJWGG-LBPRGKRZSA-N -1 3 372.402 3.110 20 0 FGADHM CN(C)C(=O)c1ccc(Cl)c([N-]S(=O)(=O)CCc2cccs2)c1 ZINC000574562833 505802580 /nfs/dbraw/zinc/80/25/80/505802580.db2.gz FNQVESHNAJJKEU-UHFFFAOYSA-N -1 3 372.899 3.088 20 0 FGADHM COc1cccc([C@@H]2C[C@H]2C(=O)Nc2cc(C)ccc2[N-]S(C)(=O)=O)c1 ZINC000173977798 495772981 /nfs/dbraw/zinc/77/29/81/495772981.db2.gz DUTQYKXDEFOOBU-JKSUJKDBSA-N -1 3 374.462 3.117 20 0 FGADHM CC(C)c1cccc(N(C)C(=O)c2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)c1 ZINC000154945740 495781052 /nfs/dbraw/zinc/78/10/52/495781052.db2.gz ZYDQXTBUPPWIAV-OAQYLSRUSA-N -1 3 365.433 3.141 20 0 FGADHM CC(C)c1cccc(N(C)C(=O)c2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)c1 ZINC000154945853 495781655 /nfs/dbraw/zinc/78/16/55/495781655.db2.gz ZYDQXTBUPPWIAV-NRFANRHFSA-N -1 3 365.433 3.141 20 0 FGADHM CC[C@@H](OC1CCCC1)C(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000151249569 495783221 /nfs/dbraw/zinc/78/32/21/495783221.db2.gz CBDAJHDDVJSSOJ-LJQANCHMSA-N -1 3 374.481 3.307 20 0 FGADHM Cc1scc(C(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)c1C ZINC000179940004 495792514 /nfs/dbraw/zinc/79/25/14/495792514.db2.gz ADPGXWIFUAXOCR-UHFFFAOYSA-N -1 3 368.455 3.197 20 0 FGADHM C[C@H](CC(=O)N1CCN(C(=O)c2cccc([O-])c2)CC1)c1ccccc1F ZINC000171271668 495799103 /nfs/dbraw/zinc/79/91/03/495799103.db2.gz HIHIUENQKCYDTJ-OAHLLOKOSA-N -1 3 370.424 3.010 20 0 FGADHM CC(C)c1cc(C(=O)N2CCN(c3cnn(C)c3)CC2)c([O-])c(C(C)C)c1 ZINC000174048106 495802144 /nfs/dbraw/zinc/80/21/44/495802144.db2.gz WTNFBTOIIZPNRM-UHFFFAOYSA-N -1 3 370.497 3.335 20 0 FGADHM CC(C)(C)OC(=O)[C@@H]1CCN(Cc2cc([O-])ccc2Br)C1 ZINC000179963608 495803333 /nfs/dbraw/zinc/80/33/33/495803333.db2.gz NECBEOVRHWWDES-LLVKDONJSA-N -1 3 356.260 3.318 20 0 FGADHM Cc1nc(C)c(S(=O)(=O)[N-]C[C@@H]2CCCO[C@@H]2c2ccccc2)s1 ZINC000176844766 495808139 /nfs/dbraw/zinc/80/81/39/495808139.db2.gz URTBUADBVYYAAB-JKSUJKDBSA-N -1 3 366.508 3.206 20 0 FGADHM COc1ccc(C)cc1CCNC(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000155033464 495811187 /nfs/dbraw/zinc/81/11/87/495811187.db2.gz BHVLMSHCHNRJGY-UHFFFAOYSA-N -1 3 368.408 3.265 20 0 FGADHM Cc1nc([C@H]([N-]S(=O)(=O)[C@@H](C)CC(C)C)c2ccc(Cl)cc2)no1 ZINC000179988691 495812577 /nfs/dbraw/zinc/81/25/77/495812577.db2.gz IYYQKONCKCXATJ-XHDPSFHLSA-N -1 3 371.890 3.475 20 0 FGADHM C[C@@H]1[C@@H]([N-]S(=O)(=O)c2ccc(Cl)s2)CCN1Cc1ccccc1 ZINC000568910169 505805945 /nfs/dbraw/zinc/80/59/45/505805945.db2.gz ZWTAUKCNDOSVHV-OCCSQVGLSA-N -1 3 370.927 3.343 20 0 FGADHM COc1ccccc1C[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000155080479 495828727 /nfs/dbraw/zinc/82/87/27/495828727.db2.gz GMHXOSOSRYSGFS-UHFFFAOYSA-N -1 3 374.231 3.075 20 0 FGADHM O=S(=O)([N-]Cc1ccc(F)cc1)c1cc(F)ccc1Br ZINC000155082283 495829075 /nfs/dbraw/zinc/82/90/75/495829075.db2.gz QIIUEZNWLQNXBO-UHFFFAOYSA-N -1 3 362.195 3.206 20 0 FGADHM O=C(Nc1nc2c(s1)C(=O)CCC2)c1c[n-]nc1-c1ccc(F)cc1 ZINC000155115393 495841177 /nfs/dbraw/zinc/84/11/77/495841177.db2.gz XUXKDQMMSBLMPF-UHFFFAOYSA-N -1 3 356.382 3.444 20 0 FGADHM O=c1[nH]cc(C(F)(F)F)cc1[N-]S(=O)(=O)c1cccc2ccccc21 ZINC000180069208 495844287 /nfs/dbraw/zinc/84/42/87/495844287.db2.gz CRAPCUMKWGOFJH-UHFFFAOYSA-N -1 3 368.336 3.348 20 0 FGADHM Cc1ccc(C)c([C@@H]2CN(C(=O)c3cccc4[n-]nnc43)[C@H](C)CO2)c1 ZINC000180077078 495847589 /nfs/dbraw/zinc/84/75/89/495847589.db2.gz BVVIQQOKKPPKHG-KDOFPFPSSA-N -1 3 350.422 3.177 20 0 FGADHM Cc1ccc(C)c([C@@H]2CN(C(=O)c3cccc4nn[n-]c43)[C@H](C)CO2)c1 ZINC000180077078 495847593 /nfs/dbraw/zinc/84/75/93/495847593.db2.gz BVVIQQOKKPPKHG-KDOFPFPSSA-N -1 3 350.422 3.177 20 0 FGADHM Cc1ccc(C)c([C@@H]2CN(C(=O)c3cccc4n[n-]nc43)[C@H](C)CO2)c1 ZINC000180077078 495847599 /nfs/dbraw/zinc/84/75/99/495847599.db2.gz BVVIQQOKKPPKHG-KDOFPFPSSA-N -1 3 350.422 3.177 20 0 FGADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CC[C@@]2(CCOC2)C1 ZINC000155195923 495871367 /nfs/dbraw/zinc/87/13/67/495871367.db2.gz DHKASNZPFOEYAA-JOCHJYFZSA-N -1 3 351.446 3.430 20 0 FGADHM O=S(=O)([N-]C1CCCCC1)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000186171202 495882645 /nfs/dbraw/zinc/88/26/45/495882645.db2.gz RSYUBLHJJHSKAH-CYBMUJFWSA-N -1 3 373.902 3.366 20 0 FGADHM COCCC1(C(=O)NCc2ccc([O-])c(Br)c2)CCCC1 ZINC000151580262 495884538 /nfs/dbraw/zinc/88/45/38/495884538.db2.gz NJBQCMGMRMAAGC-UHFFFAOYSA-N -1 3 356.260 3.368 20 0 FGADHM Cc1cccc(F)c1S(=O)(=O)[N-]Cc1ccc(NC(=O)C(C)C)cc1 ZINC000186227586 495904064 /nfs/dbraw/zinc/90/40/64/495904064.db2.gz NZYDDTVSZJDZKH-UHFFFAOYSA-N -1 3 364.442 3.207 20 0 FGADHM Cc1c(C(=O)Nc2ccc([O-])cc2F)nnn1-c1cccc2cccnc21 ZINC000183284532 495915818 /nfs/dbraw/zinc/91/58/18/495915818.db2.gz FSUFYCGZPYVVAE-UHFFFAOYSA-N -1 3 363.352 3.221 20 0 FGADHM C[C@H](CC(=O)N1CC[C@H](C)c2cccc([O-])c21)NC(=O)c1ccccc1 ZINC000186277312 495925369 /nfs/dbraw/zinc/92/53/69/495925369.db2.gz DYVMOMMSSIKWAZ-LSDHHAIUSA-N -1 3 352.434 3.441 20 0 FGADHM C[C@H]1CCN(C(=O)c2ccnc(O[C@H]3CCOC3)c2)c2c([O-])cccc21 ZINC000186322954 495946672 /nfs/dbraw/zinc/94/66/72/495946672.db2.gz ZARJUEJYXKFAPY-ZFWWWQNUSA-N -1 3 354.406 3.109 20 0 FGADHM COc1ccc(C(=O)Nc2cc(-c3nccn3C)[n-]n2)cc1-c1ccccn1 ZINC000151801568 495951509 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Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000177944988 496260621 /nfs/dbraw/zinc/26/06/21/496260621.db2.gz ABZWAUMGTOYIGI-CYBMUJFWSA-N -1 3 366.508 3.485 20 0 FGADHM O=C([O-])C1(NC(=O)NCCN2CCC3(CCCCC3)CC2)CCCCC1 ZINC000577985495 505834345 /nfs/dbraw/zinc/83/43/45/505834345.db2.gz QMRPWSQXPLGCIY-UHFFFAOYSA-N -1 3 365.518 3.119 20 0 FGADHM Cc1c(NC(=O)[C@H]2CC[C@H](C(F)(F)F)[N-]C2=O)cccc1C(F)(F)F ZINC000178006992 496284174 /nfs/dbraw/zinc/28/41/74/496284174.db2.gz XHAGXIYCAQFVSB-LDYMZIIASA-N -1 3 368.277 3.409 20 0 FGADHM COc1cc(F)c(S(=O)(=O)[N-][C@H]2CCCc3sccc32)cc1OC ZINC000162041459 496284546 /nfs/dbraw/zinc/28/45/46/496284546.db2.gz RQYAVADPCRJQPH-LBPRGKRZSA-N -1 3 371.455 3.260 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-][C@H](C)c1cn(C(C)(C)C)nc1C ZINC000152970507 496311835 /nfs/dbraw/zinc/31/18/35/496311835.db2.gz CTVIBHZTXRRMQT-LLVKDONJSA-N -1 3 357.501 3.056 20 0 FGADHM Cc1nn(C(C)(C)C)cc1[C@@H](C)[N-]S(=O)(=O)c1ccc(C)cc1F ZINC000152993496 496319694 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C[C@H](c1ccccc1)N1CCC([N-]S(=O)(=O)[C@@H](C)C(F)(F)F)CC1 ZINC000184499643 496413355 /nfs/dbraw/zinc/41/33/55/496413355.db2.gz QBLCBLNRYHUJID-OLZOCXBDSA-N -1 3 364.433 3.082 20 0 FGADHM CC[C@@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)c1ccccc1[O-] ZINC000157144952 496415369 /nfs/dbraw/zinc/41/53/69/496415369.db2.gz AHBWUHOJINWKNV-UZLBHIALSA-N -1 3 367.493 3.468 20 0 FGADHM O=C(Nc1ccccc1[O-])C1CCN(C(=O)C(F)(F)c2ccccc2)CC1 ZINC000178343224 496420458 /nfs/dbraw/zinc/42/04/58/496420458.db2.gz IFTNPPAAGQVWLO-UHFFFAOYSA-N -1 3 374.387 3.361 20 0 FGADHM CC(C)c1ncc(Cl)c(C(=O)[N-]c2nc3ccc(Cl)cn3n2)n1 ZINC000157293404 496447475 /nfs/dbraw/zinc/44/74/75/496447475.db2.gz PSKRUJXXQFLCDD-UHFFFAOYSA-N -1 3 351.197 3.202 20 0 FGADHM CN(Cc1ccccc1)[C@H](CNC(=O)c1cc(F)c([O-])c(F)c1)C1CC1 ZINC000187463782 496452461 /nfs/dbraw/zinc/45/24/61/496452461.db2.gz OFOMXUISSHVEER-GOSISDBHSA-N -1 3 360.404 3.311 20 0 FGADHM CCC[C@@H](NC(=O)c1cccc([C@]2(C)NC(=O)[N-]C2=O)c1)c1ccccc1 ZINC000178449730 496461199 /nfs/dbraw/zinc/46/11/99/496461199.db2.gz KZJGTVOOGBUYMO-UTKZUKDTSA-N -1 3 365.433 3.012 20 0 FGADHM CN1C(=O)c2cc(Br)ccc2N[C@H]1c1cc([O-])cc(F)c1 ZINC000184610509 496463596 /nfs/dbraw/zinc/46/35/96/496463596.db2.gz VALARIZQGQNINU-CQSZACIVSA-N -1 3 351.175 3.490 20 0 FGADHM COC(=O)c1ccc(-c2csc([N-]c3ncnc4c3cnn4C)n2)cc1 ZINC000163102145 496465625 /nfs/dbraw/zinc/46/56/25/496465625.db2.gz YVXOXAWXGJGGOO-UHFFFAOYSA-N -1 3 366.406 3.017 20 0 FGADHM O=c1[n-]c(CN2CCO[C@H](c3cccs3)C2)nc2c3ccccc3oc21 ZINC000157375554 496465856 /nfs/dbraw/zinc/46/58/56/496465856.db2.gz AFWCEUYNAJNVBI-AWEZNQCLSA-N -1 3 367.430 3.304 20 0 FGADHM Cc1cnc([C@@H](C)[N-]S(=O)(=O)c2ccccc2OC(F)(F)F)s1 ZINC000175628723 496473112 /nfs/dbraw/zinc/47/31/12/496473112.db2.gz AQEPJIGSXFEQGS-SECBINFHSA-N -1 3 366.386 3.390 20 0 FGADHM O=S(=O)(CCOc1ccc(F)cc1)[N-]c1cccc(-c2cc[nH]n2)c1 ZINC000172884617 496475985 /nfs/dbraw/zinc/47/59/85/496475985.db2.gz AHHUDHHPOAWZHM-UHFFFAOYSA-N -1 3 361.398 3.037 20 0 FGADHM CCOC(=O)c1c(C2CC2)csc1[N-]C(=O)c1ncncc1Cl ZINC000175636201 496477000 /nfs/dbraw/zinc/47/70/00/496477000.db2.gz IGNVXFASJURWLP-UHFFFAOYSA-N -1 3 351.815 3.498 20 0 FGADHM O=C(Nc1ccc(Cl)cc1[O-])[C@@H]1CCN(c2ccc(F)c(F)c2)C1=O ZINC000153524883 496485637 /nfs/dbraw/zinc/48/56/37/496485637.db2.gz MPLPIUFKLVZBAF-NSHDSACASA-N -1 3 366.751 3.315 20 0 FGADHM O=C(Nc1ccccc1[O-])c1nnn(-c2cccc(F)c2)c1C(F)(F)F ZINC000157521322 496493931 /nfs/dbraw/zinc/49/39/31/496493931.db2.gz RVAOPIPSIDKJJO-UHFFFAOYSA-N -1 3 366.274 3.383 20 0 FGADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@@H](C)CC1CC1 ZINC000157526677 496495143 /nfs/dbraw/zinc/49/51/43/496495143.db2.gz FONXGVFKXRVIQY-JTQLQIEISA-N -1 3 353.465 3.155 20 0 FGADHM COC(=O)c1cnc(SCc2nn(-c3ccccc3)c3c2CCC3)[n-]1 ZINC000187586882 496500752 /nfs/dbraw/zinc/50/07/52/496500752.db2.gz VTBXWSLCZQQHGC-UHFFFAOYSA-N -1 3 354.435 3.163 20 0 FGADHM COc1cc(C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)ccc1O ZINC000178574190 496503527 /nfs/dbraw/zinc/50/35/27/496503527.db2.gz XTORNCVDNJARQU-UHFFFAOYSA-N -1 3 362.234 3.186 20 0 FGADHM C[C@@H](NC(=O)Cc1ccc([O-])cc1Cl)c1cn(-c2ccccc2)nn1 ZINC000163395392 496510202 /nfs/dbraw/zinc/51/02/02/496510202.db2.gz PQXMNADIKURXKB-GFCCVEGCSA-N -1 3 356.813 3.046 20 0 FGADHM C[C@@H]1CCC[C@H]1CC(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000184735979 496512395 /nfs/dbraw/zinc/51/23/95/496512395.db2.gz ADMANQMZHCHMDY-NEPJUHHUSA-N -1 3 354.447 3.031 20 0 FGADHM C[C@H]1CCC[C@@H]1CC(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000184735965 496512440 /nfs/dbraw/zinc/51/24/40/496512440.db2.gz ADMANQMZHCHMDY-NWDGAFQWSA-N -1 3 354.447 3.031 20 0 FGADHM Cc1ccc(C(=O)N(C)Cc2cc(Br)cn2C)c([O-])c1C ZINC000163494570 496523199 /nfs/dbraw/zinc/52/31/99/496523199.db2.gz DSPLJLWRIQPUOW-UHFFFAOYSA-N -1 3 351.244 3.382 20 0 FGADHM O=C(CSCc1cc(=O)[n-]c(C2CC2)n1)NC12CC3CC(CC(C3)C1)C2 ZINC000569087055 505849379 /nfs/dbraw/zinc/84/93/79/505849379.db2.gz DGOXJPFLCRTPJG-UHFFFAOYSA-N -1 3 373.522 3.378 20 0 FGADHM CCOC(=O)c1cc(NC(=O)c2ccccc2C(=O)c2ccccc2)n[n-]1 ZINC000181754177 496529713 /nfs/dbraw/zinc/52/97/13/496529713.db2.gz UUHMRXMIRMFGFC-UHFFFAOYSA-N -1 3 363.373 3.070 20 0 FGADHM CCOC(=O)c1cc(NC(=O)c2ccccc2C(=O)c2ccccc2)[n-]n1 ZINC000181754177 496529716 /nfs/dbraw/zinc/52/97/16/496529716.db2.gz UUHMRXMIRMFGFC-UHFFFAOYSA-N -1 3 363.373 3.070 20 0 FGADHM Cc1ccc(NC(=O)CN(C)C(=O)c2ccc3c(c2[O-])CCCC3)cc1 ZINC000184796060 496534663 /nfs/dbraw/zinc/53/46/63/496534663.db2.gz IJVYTYUDFNBCOX-UHFFFAOYSA-N -1 3 352.434 3.290 20 0 FGADHM Cc1nc(C)c(CCC(=O)Nc2sccc2C(=O)C(C)(C)C)c(=O)[n-]1 ZINC000173054757 496534861 /nfs/dbraw/zinc/53/48/61/496534861.db2.gz OKVYTUJMBRGWSS-UHFFFAOYSA-N -1 3 361.467 3.248 20 0 FGADHM O=C(CC1CCC1)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000175767234 496535974 /nfs/dbraw/zinc/53/59/74/496535974.db2.gz PCFXXFWOVCJNPC-UHFFFAOYSA-N -1 3 350.846 3.413 20 0 FGADHM CO[C@H]1CN(C(=O)c2cc(OCc3ccccc3)ccc2[O-])CC[C@H]1C ZINC000187696718 496537759 /nfs/dbraw/zinc/53/77/59/496537759.db2.gz XPERCHGKYHFWRD-QRWLVFNGSA-N -1 3 355.434 3.468 20 0 FGADHM CC[C@@](C)(NC(=O)c1cc(OC)c([O-])c(OC)c1)c1nc(C)cs1 ZINC000163624899 496540056 /nfs/dbraw/zinc/54/00/56/496540056.db2.gz QKZDPJBNLGCAFP-QGZVFWFLSA-N -1 3 350.440 3.230 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C)c(-c3nnnn3C3CC3)c2)cc1 ZINC000181800134 496550185 /nfs/dbraw/zinc/55/01/85/496550185.db2.gz OOVSLZZCCBBWPE-UHFFFAOYSA-N -1 3 369.450 3.093 20 0 FGADHM COc1sc(C[N-]c2nnc([C@H]3CCCO3)o2)cc1Br ZINC000181799221 496550334 /nfs/dbraw/zinc/55/03/34/496550334.db2.gz SVDWVIZHFWTDML-SECBINFHSA-N -1 3 360.233 3.366 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)Cc3cc(Cl)ccc3OC)[n-]c21 ZINC000157775581 496552196 /nfs/dbraw/zinc/55/21/96/496552196.db2.gz UGISIVZMDVRFAD-UHFFFAOYSA-N -1 3 373.796 3.193 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)Cc3cc(Cl)ccc3OC)nc21 ZINC000157775581 496552201 /nfs/dbraw/zinc/55/22/01/496552201.db2.gz UGISIVZMDVRFAD-UHFFFAOYSA-N -1 3 373.796 3.193 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)[C@H]3CSc4ccccc43)[n-]c21 ZINC000157806335 496559487 /nfs/dbraw/zinc/55/94/87/496559487.db2.gz BIPLULNRQCKSMA-LBPRGKRZSA-N -1 3 353.403 3.178 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@H]3CSc4ccccc43)nc21 ZINC000157806335 496559489 /nfs/dbraw/zinc/55/94/89/496559489.db2.gz BIPLULNRQCKSMA-LBPRGKRZSA-N -1 3 353.403 3.178 20 0 FGADHM CC(=O)c1cccc(OCc2cc(C(=O)[N-]c3ccncc3F)no2)c1 ZINC000181824550 496560427 /nfs/dbraw/zinc/56/04/27/496560427.db2.gz KNMQLHLVZCARBV-UHFFFAOYSA-N -1 3 355.325 3.243 20 0 FGADHM CCc1c(C(=O)Nc2nc(C(F)(F)F)n[n-]2)cnn1-c1ccccc1C ZINC000184860529 496561132 /nfs/dbraw/zinc/56/11/32/496561132.db2.gz DBFPTWMSSFNYRH-UHFFFAOYSA-N -1 3 364.331 3.132 20 0 FGADHM CCc1c(C(=O)Nc2nnc(C(F)(F)F)[n-]2)cnn1-c1ccccc1C ZINC000184860529 496561137 /nfs/dbraw/zinc/56/11/37/496561137.db2.gz DBFPTWMSSFNYRH-UHFFFAOYSA-N -1 3 364.331 3.132 20 0 FGADHM O=C(NCc1ccc([O-])c(Br)c1)C(=O)c1ccc(Cl)cc1 ZINC000153776193 496575696 /nfs/dbraw/zinc/57/56/96/496575696.db2.gz BNNCUWVKJYILCH-UHFFFAOYSA-N -1 3 368.614 3.307 20 0 FGADHM O=C(Nc1ccc(CC(F)(F)F)cc1)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000173196792 496589233 /nfs/dbraw/zinc/58/92/33/496589233.db2.gz VGBGCFHTAMDMAD-UHFFFAOYSA-N -1 3 363.295 3.319 20 0 FGADHM COc1cccc(C(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)c1[O-] ZINC000173206932 496592640 /nfs/dbraw/zinc/59/26/40/496592640.db2.gz JGXFMWJJJTVFRV-INIZCTEOSA-N -1 3 354.450 3.137 20 0 FGADHM COc1ccc([O-])c(C(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)c1 ZINC000173206292 496592926 /nfs/dbraw/zinc/59/29/26/496592926.db2.gz ZILVJIMCYVDLPF-MRXNPFEDSA-N -1 3 354.450 3.137 20 0 FGADHM COc1cc(C(=O)N(C)Cc2cc(F)c(F)c(F)c2)cc(OC)c1[O-] ZINC000181919601 496600401 /nfs/dbraw/zinc/60/04/01/496600401.db2.gz NFGCPFRHVJZPFI-UHFFFAOYSA-N -1 3 355.312 3.099 20 0 FGADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)CNc3c(C)cccc3C)cc2)n1 ZINC000173253592 496613286 /nfs/dbraw/zinc/61/32/86/496613286.db2.gz LFNFXEQAFQZPPN-UHFFFAOYSA-N -1 3 362.433 3.413 20 0 FGADHM Cc1nc(C)c(CCC(=O)NCC2(c3cccs3)CCCCC2)c(=O)[n-]1 ZINC000153898270 496617001 /nfs/dbraw/zinc/61/70/01/496617001.db2.gz JILHDDJTDRMTGH-UHFFFAOYSA-N -1 3 373.522 3.399 20 0 FGADHM COc1cc(C(=O)NCCc2nc3ccc(F)cc3[nH]2)cc(Cl)c1[O-] ZINC000153925564 496625453 /nfs/dbraw/zinc/62/54/53/496625453.db2.gz MMEHOMMOHCXMET-UHFFFAOYSA-N -1 3 363.776 3.042 20 0 FGADHM COCCC(C)(C)C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000185038801 496631672 /nfs/dbraw/zinc/63/16/72/496631672.db2.gz BQVNPVZMBZXPTL-UHFFFAOYSA-N -1 3 357.369 3.186 20 0 FGADHM Cc1ccccc1S(=O)(=O)[N-]c1cccc(CN2CCSCC2)c1 ZINC000153957615 496635103 /nfs/dbraw/zinc/63/51/03/496635103.db2.gz NKMFJZZCHIAZPK-UHFFFAOYSA-N -1 3 362.520 3.345 20 0 FGADHM Oc1[n-]c(N2CCC(F)(Cc3ccc(Cl)cc3)CC2)nc2nncc1-2 ZINC000580874204 505857951 /nfs/dbraw/zinc/85/79/51/505857951.db2.gz OSRFBNJZLKXKGN-UHFFFAOYSA-N -1 3 361.808 3.263 20 0 FGADHM CC(C)N(CC(=O)OC(C)(C)C)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000154038180 496664038 /nfs/dbraw/zinc/66/40/38/496664038.db2.gz XIUNOFQNBBSHID-UHFFFAOYSA-N -1 3 371.437 3.221 20 0 FGADHM O=C(N[C@H]1CCCN(c2cccc(F)c2)C1)c1c[n-]nc1-c1ccccn1 ZINC000574801457 505858316 /nfs/dbraw/zinc/85/83/16/505858316.db2.gz UMVANJYANYNCGK-HNNXBMFYSA-N -1 3 365.412 3.010 20 0 FGADHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)CN1C1CC1 ZINC000188094953 496681279 /nfs/dbraw/zinc/68/12/79/496681279.db2.gz LXLSVTJFTCZQRP-RKDXNWHRSA-N -1 3 367.273 3.036 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)C(C)(C)c3cccc(F)c3)[n-]c21 ZINC000158429258 496700078 /nfs/dbraw/zinc/70/00/78/496700078.db2.gz KAIOXOFSRSDZNL-UHFFFAOYSA-N -1 3 355.369 3.405 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)C(C)(C)c3cccc(F)c3)nc21 ZINC000158429258 496700084 /nfs/dbraw/zinc/70/00/84/496700084.db2.gz KAIOXOFSRSDZNL-UHFFFAOYSA-N -1 3 355.369 3.405 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)[C@@H]3SCCc4ccccc43)[n-]c21 ZINC000158430490 496701042 /nfs/dbraw/zinc/70/10/42/496701042.db2.gz XJEVQPYFLJEFGW-MRXNPFEDSA-N -1 3 367.430 3.319 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@@H]3SCCc4ccccc43)nc21 ZINC000158430490 496701048 /nfs/dbraw/zinc/70/10/48/496701048.db2.gz XJEVQPYFLJEFGW-MRXNPFEDSA-N -1 3 367.430 3.319 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)[C@@H]3C[C@@H]3c3ccc(F)cc3F)[n-]c21 ZINC000158441975 496703256 /nfs/dbraw/zinc/70/32/56/496703256.db2.gz CVDKACWLKRIVPC-CHWSQXEVSA-N -1 3 371.343 3.370 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@@H]3C[C@@H]3c3ccc(F)cc3F)nc21 ZINC000158441975 496703260 /nfs/dbraw/zinc/70/32/60/496703260.db2.gz CVDKACWLKRIVPC-CHWSQXEVSA-N -1 3 371.343 3.370 20 0 FGADHM COc1ccc(C(F)(F)C(=O)[N-]CC(=O)Nc2c(C)cccc2C)cc1 ZINC000179185535 496704076 /nfs/dbraw/zinc/70/40/76/496704076.db2.gz GQOHJVXUXHPCNA-UHFFFAOYSA-N -1 3 362.376 3.159 20 0 FGADHM CCOC(=O)[C@@H](CC(C)C)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000182251217 496719974 /nfs/dbraw/zinc/71/99/74/496719974.db2.gz IEFNNKNAZMGQQL-QGZVFWFLSA-N -1 3 362.470 3.021 20 0 FGADHM CC(C)OC(=O)CCCNC(=O)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000188243322 496722163 /nfs/dbraw/zinc/72/21/63/496722163.db2.gz KPAZACHONOUKRD-UHFFFAOYSA-N -1 3 355.847 3.253 20 0 FGADHM O=C(Nc1ccccc1OC[C@H]1CCCCO1)c1cc(F)cc2[n-]nnc21 ZINC000277320780 496735849 /nfs/dbraw/zinc/73/58/49/496735849.db2.gz CEVIMPCUBQVLSB-CYBMUJFWSA-N -1 3 370.384 3.297 20 0 FGADHM O=C(Nc1ccccc1OC[C@H]1CCCCO1)c1cc(F)cc2nn[n-]c21 ZINC000277320780 496735852 /nfs/dbraw/zinc/73/58/52/496735852.db2.gz CEVIMPCUBQVLSB-CYBMUJFWSA-N -1 3 370.384 3.297 20 0 FGADHM O=C(Nc1ccccc1OC[C@H]1CCCCO1)c1cc(F)cc2n[n-]nc21 ZINC000277320780 496735854 /nfs/dbraw/zinc/73/58/54/496735854.db2.gz CEVIMPCUBQVLSB-CYBMUJFWSA-N -1 3 370.384 3.297 20 0 FGADHM COCc1nc(SCC(=O)N[C@H](C)c2ccc3ccccc3c2)n[n-]1 ZINC000268583393 496740695 /nfs/dbraw/zinc/74/06/95/496740695.db2.gz YNBRCBAMONZCDN-GFCCVEGCSA-N -1 3 356.451 3.074 20 0 FGADHM Cc1ccccc1[C@H]1CN(C(=O)c2cc(F)cc3[n-]nnc32)[C@@H](C)CO1 ZINC000277337244 496741271 /nfs/dbraw/zinc/74/12/71/496741271.db2.gz DHRGWRXTUAJJSX-YVEFUNNKSA-N -1 3 354.385 3.008 20 0 FGADHM Cc1ccccc1[C@H]1CN(C(=O)c2cc(F)cc3nn[n-]c32)[C@@H](C)CO1 ZINC000277337244 496741277 /nfs/dbraw/zinc/74/12/77/496741277.db2.gz DHRGWRXTUAJJSX-YVEFUNNKSA-N -1 3 354.385 3.008 20 0 FGADHM Cc1ccccc1[C@H]1CN(C(=O)c2cc(F)cc3n[n-]nc32)[C@@H](C)CO1 ZINC000277337244 496741283 /nfs/dbraw/zinc/74/12/83/496741283.db2.gz DHRGWRXTUAJJSX-YVEFUNNKSA-N -1 3 354.385 3.008 20 0 FGADHM CSc1nc(C(C)(C)C)nc(C)c1C(=O)N=c1cc2ccccn2[n-]1 ZINC000574831106 505863307 /nfs/dbraw/zinc/86/33/07/505863307.db2.gz GCPBZWJFXCOMBV-UHFFFAOYSA-N -1 3 355.467 3.126 20 0 FGADHM CCn1nc(CNC[C@H](Cc2ccccc2C)C(=O)[O-])c2ccccc21 ZINC000277460472 496781341 /nfs/dbraw/zinc/78/13/41/496781341.db2.gz VOHXWIKCQKFWNY-KRWDZBQOSA-N -1 3 351.450 3.398 20 0 FGADHM Cc1cc(NC([O-])=NOC[C@@H](C)NC(=O)OC(C)(C)C)cnc1Cl ZINC000273409418 496798186 /nfs/dbraw/zinc/79/81/86/496798186.db2.gz HRKAVCOJYDRONT-SNVBAGLBSA-N -1 3 358.826 3.010 20 0 FGADHM Cc1cc(NC(=O)[N-]OC[C@@H](C)NC(=O)OC(C)(C)C)cnc1Cl ZINC000273409418 496798190 /nfs/dbraw/zinc/79/81/90/496798190.db2.gz HRKAVCOJYDRONT-SNVBAGLBSA-N -1 3 358.826 3.010 20 0 FGADHM CCOC(=O)c1csc(C2CCN(C(=O)c3cccc(C)c3[O-])CC2)n1 ZINC000191548751 496807424 /nfs/dbraw/zinc/80/74/24/496807424.db2.gz WEXNABFUWDFBKB-UHFFFAOYSA-N -1 3 374.462 3.354 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CC[C@@H](C)C[C@H]2C)c1 ZINC000273470627 496815054 /nfs/dbraw/zinc/81/50/54/496815054.db2.gz XMZRDQDBEIAQFF-VXGBXAGGSA-N -1 3 357.410 3.202 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CC[C@@H](C)C[C@@H]2C)c1 ZINC000273470618 496815264 /nfs/dbraw/zinc/81/52/64/496815264.db2.gz XMZRDQDBEIAQFF-NEPJUHHUSA-N -1 3 357.410 3.202 20 0 FGADHM CC(C)(C)CCCS(=O)(=O)NCc1ccc([O-])c(Br)c1 ZINC000580922582 505869200 /nfs/dbraw/zinc/86/92/00/505869200.db2.gz OYJCTFZCSWCFOR-UHFFFAOYSA-N -1 3 364.305 3.400 20 0 FGADHM CC(C)c1nc(C2CCN(Cc3nc4ccsc4c(=O)[n-]3)CC2)no1 ZINC000264235635 496846717 /nfs/dbraw/zinc/84/67/17/496846717.db2.gz SZZQEFQKRUZQHW-UHFFFAOYSA-N -1 3 359.455 3.283 20 0 FGADHM COc1ccc(CNc2nnc([C@H]3CCCO3)o2)c(Br)c1[O-] ZINC000273633761 496859591 /nfs/dbraw/zinc/85/95/91/496859591.db2.gz BQRWKRMBNCPYKJ-SNVBAGLBSA-N -1 3 370.203 3.010 20 0 FGADHM CCc1ccc(C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)c([O-])c1 ZINC000188637517 496860015 /nfs/dbraw/zinc/86/00/15/496860015.db2.gz HHADLUWWDZAXGI-UHFFFAOYSA-N -1 3 352.434 3.446 20 0 FGADHM Cc1cnc(C(=O)[N-]c2nnc([C@H]3CCCc4ccccc43)s2)cn1 ZINC000277743841 496872856 /nfs/dbraw/zinc/87/28/56/496872856.db2.gz YJIJAGGSOSWUOD-AWEZNQCLSA-N -1 3 351.435 3.357 20 0 FGADHM COc1ccc(CN2CCC[C@@H](c3ncc[nH]3)C2)c(Br)c1[O-] ZINC000273696230 496877516 /nfs/dbraw/zinc/87/75/16/496877516.db2.gz CKAGIBYPLFHHHG-GFCCVEGCSA-N -1 3 366.259 3.266 20 0 FGADHM O=C(NCCC1CCN(CC(F)(F)F)CC1)c1cc([O-])ccc1Cl ZINC000277814610 496897818 /nfs/dbraw/zinc/89/78/18/496897818.db2.gz WPTAEYOBFFUGHJ-UHFFFAOYSA-N -1 3 364.795 3.440 20 0 FGADHM O=C(NCc1ccnc(Oc2ccc(F)cc2)c1)c1ccc(O)cc1[O-] ZINC000195393363 496909954 /nfs/dbraw/zinc/90/99/54/496909954.db2.gz XOXGEPICAGSNBD-UHFFFAOYSA-N -1 3 354.337 3.354 20 0 FGADHM CCOC(=O)c1nc(C2CCN([C@H](C)c3c(F)cccc3F)CC2)n[n-]1 ZINC000277888862 496923169 /nfs/dbraw/zinc/92/31/69/496923169.db2.gz VWTQKHAAUBSGRH-LLVKDONJSA-N -1 3 364.396 3.200 20 0 FGADHM CCOC(=O)c1nnc(C2CCN([C@H](C)c3c(F)cccc3F)CC2)[n-]1 ZINC000277888862 496923175 /nfs/dbraw/zinc/92/31/75/496923175.db2.gz VWTQKHAAUBSGRH-LLVKDONJSA-N -1 3 364.396 3.200 20 0 FGADHM Cc1cccnc1C(F)(F)C(=O)[N-][C@@H](c1nc(C2CC2)no1)C(C)C ZINC000195448670 496925883 /nfs/dbraw/zinc/92/58/83/496925883.db2.gz YGKBRWMJRWSKAJ-GFCCVEGCSA-N -1 3 350.369 3.256 20 0 FGADHM Cc1nc(-c2ccc(NC(=O)NCc3cnc(C4CC4)o3)cc2)cc(=O)[n-]1 ZINC000578154607 505874150 /nfs/dbraw/zinc/87/41/50/505874150.db2.gz FJCQFAYJAWGGGU-UHFFFAOYSA-N -1 3 365.393 3.345 20 0 FGADHM CCN(CC)C(=O)COc1cccc(NC(=O)c2cccc(C)c2[O-])c1 ZINC000195562935 496951337 /nfs/dbraw/zinc/95/13/37/496951337.db2.gz WVNXRQIDSFPFHS-UHFFFAOYSA-N -1 3 356.422 3.200 20 0 FGADHM CC(C)c1ccccc1S(=O)(=O)[N-]c1cc(C(N)=O)ccc1Cl ZINC000188936709 496953388 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COc1cc(-c2noc(CC[C@@H]3Cc4ccccc4NC3=O)n2)ccc1[O-] ZINC000265046237 497037137 /nfs/dbraw/zinc/03/71/37/497037137.db2.gz RVCREUOPEUKYMZ-CQSZACIVSA-N -1 3 365.389 3.194 20 0 FGADHM Cc1c(C(=O)[N-]c2c(F)cccc2F)nnn1Cc1ccc(F)cc1F ZINC000189202038 497042726 /nfs/dbraw/zinc/04/27/26/497042726.db2.gz IJZYQBDXVKKZMK-UHFFFAOYSA-N -1 3 364.302 3.444 20 0 FGADHM CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000270070934 497052138 /nfs/dbraw/zinc/05/21/38/497052138.db2.gz UAQCRFWLIGZJSW-UHFFFAOYSA-N -1 3 372.421 3.030 20 0 FGADHM O=c1nc(CN2CCN(C3CCC3)CC2)[n-]c2scc(-c3ccco3)c21 ZINC000265143688 497056982 /nfs/dbraw/zinc/05/69/82/497056982.db2.gz QXGBQIBNVXZRLG-UHFFFAOYSA-N -1 3 370.478 3.327 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@H]2CC[C@H](C)CC2)c1 ZINC000248642061 497069407 /nfs/dbraw/zinc/06/94/07/497069407.db2.gz ZQLKMXMNQXRFIM-AULYBMBSSA-N -1 3 357.410 3.249 20 0 FGADHM CC(C)[C@@H]1CCCN(C(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)CC1 ZINC000265221222 497074633 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CC(=O)N1CCCC[C@@H]1c1ccc(C(=O)Nc2cccc([O-])c2F)n1C ZINC000364387881 497934135 /nfs/dbraw/zinc/93/41/35/497934135.db2.gz UNYRXNVQYBLNCI-OAHLLOKOSA-N -1 3 359.401 3.196 20 0 FGADHM COc1ccc(N[C@H]2CCCc3ccc(O)cc32)cc1[N-]S(C)(=O)=O ZINC000284969336 497957189 /nfs/dbraw/zinc/95/71/89/497957189.db2.gz FRTGWYFAYYNMTD-INIZCTEOSA-N -1 3 362.451 3.262 20 0 FGADHM COC(=O)CCCO[N-]C(=O)Nc1ccccc1O[C@H](C)C(F)(F)F ZINC000288955151 497957399 /nfs/dbraw/zinc/95/73/99/497957399.db2.gz XONWFHFBPRMGDH-SNVBAGLBSA-N -1 3 364.320 3.023 20 0 FGADHM Cc1nc(-c2ccc(N3C(=O)N[C@H](c4cccs4)C3=O)cc2)cc(=O)[n-]1 ZINC000349274370 497972679 /nfs/dbraw/zinc/97/26/79/497972679.db2.gz GAOXMAIPTHGWAY-MRXNPFEDSA-N -1 3 366.402 3.017 20 0 FGADHM O=C(c1ccccc1[O-])N1CCC[C@@H]1C(=O)N1CC[C@H](C2CCCC2)C1 ZINC000572391697 505957951 /nfs/dbraw/zinc/95/79/51/505957951.db2.gz VAZWZYMKZKBVAK-FUHWJXTLSA-N -1 3 356.466 3.036 20 0 FGADHM CC(C)c1ccc(-c2nc(C3(S(C)(=O)=O)CCCC3)no2)c([O-])c1 ZINC000296349197 498007710 /nfs/dbraw/zinc/00/77/10/498007710.db2.gz HKFBCHBBJMIBIJ-UHFFFAOYSA-N -1 3 350.440 3.380 20 0 FGADHM Cc1ccc(C(=O)N2CCn3c(C4CCCC4)nnc3[C@H]2C)c([O-])c1C ZINC000292437533 498015819 /nfs/dbraw/zinc/01/58/19/498015819.db2.gz YAFVFPGTZJNYSZ-CQSZACIVSA-N -1 3 354.454 3.475 20 0 FGADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@H]3CC(=O)c4ccccc43)cc2)n1 ZINC000364549406 498018200 /nfs/dbraw/zinc/01/82/00/498018200.db2.gz WELNZECJPHAGAZ-KRWDZBQOSA-N -1 3 359.385 3.054 20 0 FGADHM COCc1ncc(C(=O)[N-]c2nc3c(s2)C(=O)CC(C)(C)C3)s1 ZINC000285210534 498022764 /nfs/dbraw/zinc/02/27/64/498022764.db2.gz UAFIRESJPAGCLD-UHFFFAOYSA-N -1 3 351.453 3.153 20 0 FGADHM CCN(CC)C(=O)COc1ccc(NC([O-])=NOC(C)C)cc1Cl ZINC000296424270 498038115 /nfs/dbraw/zinc/03/81/15/498038115.db2.gz SIUSJZXFJHVYRQ-UHFFFAOYSA-N -1 3 357.838 3.049 20 0 FGADHM CCN(CC)C(=O)COc1ccc(NC(=O)[N-]OC(C)C)cc1Cl ZINC000296424270 498038119 /nfs/dbraw/zinc/03/81/19/498038119.db2.gz SIUSJZXFJHVYRQ-UHFFFAOYSA-N -1 3 357.838 3.049 20 0 FGADHM Cc1nc(CNC(=O)c2cc([O-])ccc2C(F)(F)F)ccc1[C@@H](C)O ZINC000281183494 498047520 /nfs/dbraw/zinc/04/75/20/498047520.db2.gz MAJZBACMUZHJNV-SNVBAGLBSA-N -1 3 354.328 3.098 20 0 FGADHM C[C@H]1C[C@@H]1c1noc(-c2cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c2)n1 ZINC000350143246 498050242 /nfs/dbraw/zinc/05/02/42/498050242.db2.gz NRXWHDNHMLRCIE-CPCISQLKSA-N -1 3 361.345 3.250 20 0 FGADHM C[C@H]1C[C@H]1c1noc(-c2cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c2)n1 ZINC000350143249 498050542 /nfs/dbraw/zinc/05/05/42/498050542.db2.gz NRXWHDNHMLRCIE-WRWORJQWSA-N -1 3 361.345 3.250 20 0 FGADHM O=C(NCc1ccc([O-])c(Br)c1)N1CCC[C@@H]1[C@@H]1CCCO1 ZINC000289189944 498052147 /nfs/dbraw/zinc/05/21/47/498052147.db2.gz LKBPGLUTNFNHAJ-HIFRSBDPSA-N -1 3 369.259 3.008 20 0 FGADHM O=C(NCc1cc(F)c(C(F)(F)F)cc1F)c1cccc2nn[n-]c21 ZINC000575419125 505975509 /nfs/dbraw/zinc/97/55/09/505975509.db2.gz MKGKFLMKYIDTFQ-UHFFFAOYSA-N -1 3 356.254 3.185 20 0 FGADHM O=C(NCc1cc(F)c(C(F)(F)F)cc1F)c1cccc2[n-]nnc21 ZINC000575419125 505975510 /nfs/dbraw/zinc/97/55/10/505975510.db2.gz MKGKFLMKYIDTFQ-UHFFFAOYSA-N -1 3 356.254 3.185 20 0 FGADHM O=C(NCc1cc(F)c(C(F)(F)F)cc1F)c1cccc2n[n-]nc21 ZINC000575419125 505975511 /nfs/dbraw/zinc/97/55/11/505975511.db2.gz MKGKFLMKYIDTFQ-UHFFFAOYSA-N -1 3 356.254 3.185 20 0 FGADHM CCO[C@@H]1C[C@H](N(C)C(=O)c2cc(F)cc3[n-]nnc32)C12CCCCC2 ZINC000330316353 498103263 /nfs/dbraw/zinc/10/32/63/498103263.db2.gz ZHRAAQJVKJBZLW-JKSUJKDBSA-N -1 3 360.433 3.297 20 0 FGADHM CCO[C@@H]1C[C@H](N(C)C(=O)c2cc(F)cc3nn[n-]c32)C12CCCCC2 ZINC000330316353 498103268 /nfs/dbraw/zinc/10/32/68/498103268.db2.gz ZHRAAQJVKJBZLW-JKSUJKDBSA-N -1 3 360.433 3.297 20 0 FGADHM CCO[C@@H]1C[C@H](N(C)C(=O)c2cc(F)cc3n[n-]nc32)C12CCCCC2 ZINC000330316353 498103272 /nfs/dbraw/zinc/10/32/72/498103272.db2.gz ZHRAAQJVKJBZLW-JKSUJKDBSA-N -1 3 360.433 3.297 20 0 FGADHM Cc1ccc2c(ncc(C(=O)[O-])c2N2CC[C@H]([C@H](O)C(F)(F)F)C2)c1C ZINC000572486697 505981013 /nfs/dbraw/zinc/98/10/13/505981013.db2.gz FYXQFACZEFMONN-ZBEGNZNMSA-N -1 3 368.355 3.299 20 0 FGADHM COc1cc(-c2noc(-c3ccc4c(c3)CCN4C(C)=O)n2)ccc1[O-] ZINC000350577231 498119155 /nfs/dbraw/zinc/11/91/55/498119155.db2.gz LACCNSWCOCVUEQ-UHFFFAOYSA-N -1 3 351.362 3.027 20 0 FGADHM CCN(CC)C(=O)N1CCC(c2nc(-c3ccc([O-])c(OC)c3)no2)CC1 ZINC000350584434 498120245 /nfs/dbraw/zinc/12/02/45/498120245.db2.gz SMQXWABFLMFQPR-UHFFFAOYSA-N -1 3 374.441 3.092 20 0 FGADHM CC(C)(C)C[C@H]1CCCN1C(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000330392622 498123763 /nfs/dbraw/zinc/12/37/63/498123763.db2.gz JGPGWYCTFSZFQE-CYBMUJFWSA-N -1 3 356.463 3.238 20 0 FGADHM CN(C(=O)N=c1cc(OC(F)F)n(C)[n-]1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000569646784 505983732 /nfs/dbraw/zinc/98/37/32/505983732.db2.gz OZDQJCYLYUZASV-DTORHVGOSA-N -1 3 370.322 3.028 20 0 FGADHM CCOc1cc(-c2noc(-c3cnc4c(c3)c(C)nn4C)n2)ccc1[O-] ZINC000350795282 498137474 /nfs/dbraw/zinc/13/74/74/498137474.db2.gz SAUTVRCOHPAWQB-UHFFFAOYSA-N -1 3 351.366 3.098 20 0 FGADHM CC(=O)N1CCC(N(Cc2cncs2)Cc2cc([O-])cc(F)c2)CC1 ZINC000292770163 498140718 /nfs/dbraw/zinc/14/07/18/498140718.db2.gz KIUITPCZNKEMJN-UHFFFAOYSA-N -1 3 363.458 3.001 20 0 FGADHM CS[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cccnc2C(F)(F)F)C1 ZINC000330662858 498169022 /nfs/dbraw/zinc/16/90/22/498169022.db2.gz DPQLQOOVQQZSSH-VHSXEESVSA-N -1 3 354.419 3.053 20 0 FGADHM CCCS(=O)(=O)Nc1cccc(NC(=O)[N-]OC[C@H](C)CC)c1C ZINC000292917540 498195910 /nfs/dbraw/zinc/19/59/10/498195910.db2.gz LJVQXFUPDQGGLT-GFCCVEGCSA-N -1 3 357.476 3.246 20 0 FGADHM CC(C)Cc1ccc(S(=O)(=O)[N-]C2(C(F)(F)F)CCOCC2)cc1 ZINC000330875170 498209743 /nfs/dbraw/zinc/20/97/43/498209743.db2.gz UILKZWKUPALIJU-UHFFFAOYSA-N -1 3 365.417 3.275 20 0 FGADHM CC(=O)N(c1ccc(NC(=O)c2c[n-]c3ccccc3c2=O)cc1)C1CC1 ZINC000578690742 505997820 /nfs/dbraw/zinc/99/78/20/505997820.db2.gz IBEWSDPGOPATMJ-UHFFFAOYSA-N -1 3 361.401 3.296 20 0 FGADHM CC(=O)N(c1ccc(NC(=O)c2cnc3ccccc3c2[O-])cc1)C1CC1 ZINC000578690742 505997822 /nfs/dbraw/zinc/99/78/22/505997822.db2.gz IBEWSDPGOPATMJ-UHFFFAOYSA-N -1 3 361.401 3.296 20 0 FGADHM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000281619214 498215641 /nfs/dbraw/zinc/21/56/41/498215641.db2.gz FRMZVMARMGJZNQ-OLZOCXBDSA-N -1 3 374.428 3.077 20 0 FGADHM COCCCON=C([O-])Nc1cc(C)nn1-c1cccc(C(F)(F)F)c1 ZINC000285887423 498231005 /nfs/dbraw/zinc/23/10/05/498231005.db2.gz ZWNGHKMOBNIWME-UHFFFAOYSA-N -1 3 372.347 3.289 20 0 FGADHM COCCCO[N-]C(=O)Nc1cc(C)nn1-c1cccc(C(F)(F)F)c1 ZINC000285887423 498231011 /nfs/dbraw/zinc/23/10/11/498231011.db2.gz ZWNGHKMOBNIWME-UHFFFAOYSA-N -1 3 372.347 3.289 20 0 FGADHM CCOc1cc(CN(C)Cc2cnn(CC)c2)cc(Br)c1[O-] ZINC000575768778 506000704 /nfs/dbraw/zinc/00/07/04/506000704.db2.gz JKHKJMPTYGODKI-UHFFFAOYSA-N -1 3 368.275 3.402 20 0 FGADHM CCOCCOc1ccc(Cl)cc1NC(=O)c1ccc(C(=O)OC)[n-]1 ZINC000293036596 498243722 /nfs/dbraw/zinc/24/37/22/498243722.db2.gz MVTKWSMGYRGGCQ-UHFFFAOYSA-N -1 3 366.801 3.122 20 0 FGADHM C[C@H](O)C[C@@H]1CCCCN1Cc1cc(=O)oc2cc([O-])c(Cl)cc12 ZINC000285962221 498253407 /nfs/dbraw/zinc/25/34/07/498253407.db2.gz DIQLVPIIXPELRN-AAEUAGOBSA-N -1 3 351.830 3.277 20 0 FGADHM Cc1ccc([C@H]2C[C@H]2C(=O)Nc2ccc(F)c([N-]S(C)(=O)=O)c2)s1 ZINC000360285506 498263419 /nfs/dbraw/zinc/26/34/19/498263419.db2.gz UMZHNZDMKRTYJA-NWDGAFQWSA-N -1 3 368.455 3.309 20 0 FGADHM Cc1ccc(CCC(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)c(C)c1 ZINC000281800992 498274084 /nfs/dbraw/zinc/27/40/84/498274084.db2.gz SZGBTBBKUYPXRL-UHFFFAOYSA-N -1 3 370.415 3.153 20 0 FGADHM Cc1nc(C)c(S(=O)(=O)[N-]CCc2nc(C(C)(C)C)cs2)s1 ZINC000331206736 498275637 /nfs/dbraw/zinc/27/56/37/498275637.db2.gz DRNBJYPCGRMGDI-UHFFFAOYSA-N -1 3 359.542 3.035 20 0 FGADHM Cc1cc(Br)ccc1-n1c([O-])c(CC(F)(F)F)[nH]c1=O ZINC000286070593 498284694 /nfs/dbraw/zinc/28/46/94/498284694.db2.gz SOUMOGXNZCFSID-MRVPVSSYSA-N -1 3 351.122 3.135 20 0 FGADHM CN1CCC[C@H](CNC(=O)c2cccc(C(=O)[O-])c2)[C@H]1c1cccs1 ZINC000578748957 506011911 /nfs/dbraw/zinc/01/19/11/506011911.db2.gz KCKIMZQKSQEWQA-WBVHZDCISA-N -1 3 358.463 3.259 20 0 FGADHM CCN(CC)[C@@H](CNC(=O)c1cccc(C(=O)[O-])c1)c1cccc(OC)c1 ZINC000581547675 506013118 /nfs/dbraw/zinc/01/31/18/506013118.db2.gz PASKCWRTYBPDBI-IBGZPJMESA-N -1 3 370.449 3.206 20 0 FGADHM COc1ccc([O-])c(C(=O)N2CCC[C@H](n3cnc4ccccc43)C2)c1 ZINC000365137637 498317770 /nfs/dbraw/zinc/31/77/70/498317770.db2.gz ZRDHSIXTCYTUNJ-AWEZNQCLSA-N -1 3 351.406 3.228 20 0 FGADHM Cc1nc(NC([O-])=NOCC(C)(C)O)sc1Cc1ccccc1F ZINC000297198858 498355610 /nfs/dbraw/zinc/35/56/10/498355610.db2.gz QRHFFLLFGIBLCL-UHFFFAOYSA-N -1 3 353.419 3.005 20 0 FGADHM Cc1nc(NC(=O)[N-]OCC(C)(C)O)sc1Cc1ccccc1F ZINC000297198858 498355614 /nfs/dbraw/zinc/35/56/14/498355614.db2.gz QRHFFLLFGIBLCL-UHFFFAOYSA-N -1 3 353.419 3.005 20 0 FGADHM Cc1ccccc1[C@@H]1CCCN1C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000331515756 498356151 /nfs/dbraw/zinc/35/61/51/498356151.db2.gz LISGQYWIEZUBAF-LBPRGKRZSA-N -1 3 353.348 3.179 20 0 FGADHM Cc1ccccc1[C@@H]1CCCN1C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000331515756 498356158 /nfs/dbraw/zinc/35/61/58/498356158.db2.gz LISGQYWIEZUBAF-LBPRGKRZSA-N -1 3 353.348 3.179 20 0 FGADHM Cc1ccccc1[C@@H]1CCCN1C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000331515756 498356165 /nfs/dbraw/zinc/35/61/65/498356165.db2.gz LISGQYWIEZUBAF-LBPRGKRZSA-N -1 3 353.348 3.179 20 0 FGADHM O=C(Nc1ccccc1[O-])C1CCN(C(=O)[C@@H]2CCCC(F)(F)C2)CC1 ZINC000282038766 498366763 /nfs/dbraw/zinc/36/67/63/498366763.db2.gz LKIFENJSMCNLJL-CQSZACIVSA-N -1 3 366.408 3.395 20 0 FGADHM C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)N=c2cc(OC(F)F)n(C)[n-]2)C1 ZINC000331559119 498372378 /nfs/dbraw/zinc/37/23/78/498372378.db2.gz PGUFKLPCRRWAOL-GXFFZTMASA-N -1 3 368.359 3.198 20 0 FGADHM COC(=O)c1ccc(C(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)[n-]1 ZINC000293422742 498380789 /nfs/dbraw/zinc/38/07/89/498380789.db2.gz RRKWTSHUSJCLHE-UHFFFAOYSA-N -1 3 369.421 3.070 20 0 FGADHM C[C@H](c1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1nc2c([n-]1)CCC2 ZINC000569831054 506027403 /nfs/dbraw/zinc/02/74/03/506027403.db2.gz VFZPJUPGPBCRDA-SECBINFHSA-N -1 3 360.357 3.332 20 0 FGADHM Cc1cc(C)cc(-c2n[n-]c(=NC(=O)N[C@@H](C)C3=CCN(C)CC3)s2)c1 ZINC000331632593 498401296 /nfs/dbraw/zinc/40/12/96/498401296.db2.gz LYGRBWFQHODAFB-AWEZNQCLSA-N -1 3 371.510 3.016 20 0 FGADHM CCOc1cc(CNCc2c(CC)nn(C)c2OC)cc(Cl)c1[O-] ZINC000297343257 498413012 /nfs/dbraw/zinc/41/30/12/498413012.db2.gz DSNGJXACWMQFFL-UHFFFAOYSA-N -1 3 353.850 3.039 20 0 FGADHM CC(C)[C@@H](CCc1ccccc1)C(=O)N=c1[n-]n(C)cc1Br ZINC000569848548 506030611 /nfs/dbraw/zinc/03/06/11/506030611.db2.gz ISXXRTXKFISDIK-CQSZACIVSA-N -1 3 364.287 3.448 20 0 FGADHM O=C(c1cc([O-])ccc1C(F)(F)F)N1CCOc2cc(O)ccc2C1 ZINC000581624712 506030839 /nfs/dbraw/zinc/03/08/39/506030839.db2.gz WHMBCWIIIYCLEK-UHFFFAOYSA-N -1 3 353.296 3.151 20 0 FGADHM CC(C)(CO)[C@H](CNC(=O)c1c[n-]nc1-c1ccccn1)c1ccccc1 ZINC000575913155 506031606 /nfs/dbraw/zinc/03/16/06/506031606.db2.gz UDYQULDIJWMZPH-QGZVFWFLSA-N -1 3 364.449 3.004 20 0 FGADHM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCCC23CCOCC3)c1 ZINC000282288065 498453044 /nfs/dbraw/zinc/45/30/44/498453044.db2.gz LGMMMQOVOSXLAT-MRXNPFEDSA-N -1 3 371.886 3.170 20 0 FGADHM COc1cc(C(=O)N2CCC[C@@H](n3ccnc3C(C)C)C2)cc(OC)c1[O-] ZINC000362075783 498461723 /nfs/dbraw/zinc/46/17/23/498461723.db2.gz FDYKUELKRBYICP-OAHLLOKOSA-N -1 3 373.453 3.207 20 0 FGADHM CC(C)(C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1)c1cccs1 ZINC000331858440 498479428 /nfs/dbraw/zinc/47/94/28/498479428.db2.gz DMQAFWALIHZVCX-UHFFFAOYSA-N -1 3 372.490 3.152 20 0 FGADHM COC[C@@]1(C(=O)[O-])CCCN(Cc2ccc(OC(C)C)c(Cl)c2)C1 ZINC000578875812 506042249 /nfs/dbraw/zinc/04/22/49/506042249.db2.gz XYMNHPMUUKYSOY-GOSISDBHSA-N -1 3 355.862 3.440 20 0 FGADHM O=c1nc(CN2CCC[C@](F)(CO)C2)[n-]c2sc(-c3ccccc3)cc21 ZINC000286743601 498496523 /nfs/dbraw/zinc/49/65/23/498496523.db2.gz DSDZNNPXLSCZPZ-LJQANCHMSA-N -1 3 373.453 3.360 20 0 FGADHM CCOc1cc(CN2CCC(OCCCOC)CC2)cc(Cl)c1[O-] ZINC000297587168 498503582 /nfs/dbraw/zinc/50/35/82/498503582.db2.gz DVYSTWJLAXFSBF-UHFFFAOYSA-N -1 3 357.878 3.462 20 0 FGADHM Cn1cc2c(n1)CCC[C@@H]2[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000282429844 498507990 /nfs/dbraw/zinc/50/79/90/498507990.db2.gz FMSIFYZCVULBNQ-LBPRGKRZSA-N -1 3 360.266 3.083 20 0 FGADHM O=C(c1cc(F)cc2[n-]nnc21)N1CCCCC[C@H]1C[C@@H](O)c1ccco1 ZINC000282427487 498508462 /nfs/dbraw/zinc/50/84/62/498508462.db2.gz IXOUQCNMEVDSAZ-XJKSGUPXSA-N -1 3 372.400 3.199 20 0 FGADHM O=C(c1cc(F)cc2nn[n-]c21)N1CCCCC[C@H]1C[C@@H](O)c1ccco1 ZINC000282427487 498508470 /nfs/dbraw/zinc/50/84/70/498508470.db2.gz IXOUQCNMEVDSAZ-XJKSGUPXSA-N -1 3 372.400 3.199 20 0 FGADHM O=C(c1cc(F)cc2n[n-]nc21)N1CCCCC[C@H]1C[C@@H](O)c1ccco1 ZINC000282427487 498508475 /nfs/dbraw/zinc/50/84/75/498508475.db2.gz IXOUQCNMEVDSAZ-XJKSGUPXSA-N -1 3 372.400 3.199 20 0 FGADHM CCCS(=O)(=O)[N-]c1ccc(-c2nc([C@@](C)(CC)OC)no2)cc1 ZINC000290411735 498542732 /nfs/dbraw/zinc/54/27/32/498542732.db2.gz IXDSMJJITNLMHV-MRXNPFEDSA-N -1 3 353.444 3.160 20 0 FGADHM CC(C)(O)CON=C([O-])Nc1nc2c(s1)C[C@@H](c1ccccc1)CC2 ZINC000286902826 498547274 /nfs/dbraw/zinc/54/72/74/498547274.db2.gz ZFTGBHQKOMZUKY-ZDUSSCGKSA-N -1 3 361.467 3.240 20 0 FGADHM CC(C)(O)CO[N-]C(=O)Nc1nc2c(s1)C[C@@H](c1ccccc1)CC2 ZINC000286902826 498547279 /nfs/dbraw/zinc/54/72/79/498547279.db2.gz ZFTGBHQKOMZUKY-ZDUSSCGKSA-N -1 3 361.467 3.240 20 0 FGADHM CCOc1ccccc1OCCCc1nc(-c2ccc3n[n-]nc3c2)no1 ZINC000578940463 506055629 /nfs/dbraw/zinc/05/56/29/506055629.db2.gz LCSQUWSXOVEVJG-UHFFFAOYSA-N -1 3 365.393 3.418 20 0 FGADHM Cn1[n-]c(=NC(=O)N2CCC(C)(c3ccccc3)CC2)cc1OC(F)F ZINC000332159027 498583638 /nfs/dbraw/zinc/58/36/38/498583638.db2.gz SHFPCEGUGUUFSC-UHFFFAOYSA-N -1 3 364.396 3.029 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(C(C)=O)o3)c2)n1 ZINC000365683799 498596405 /nfs/dbraw/zinc/59/64/05/498596405.db2.gz ZFTIKNDHHPZFCW-UHFFFAOYSA-N -1 3 351.362 3.460 20 0 FGADHM CCOC(=O)c1c(C2CC2)csc1[N-]C(=O)c1cc(C(=O)OC)co1 ZINC000576031639 506060586 /nfs/dbraw/zinc/06/05/86/506060586.db2.gz ISLFLIOYKFQHFB-UHFFFAOYSA-N -1 3 363.391 3.434 20 0 FGADHM O=C(N[C@H]1CCN(c2cccc(Cl)c2)C1)c1cc(=O)c2ccccc2[n-]1 ZINC000363041435 498617620 /nfs/dbraw/zinc/61/76/20/498617620.db2.gz QYXVFEZGYBQDEN-AWEZNQCLSA-N -1 3 367.836 3.190 20 0 FGADHM Cc1nc(C)c(CCC(=O)Nc2ccc(OC(F)F)cc2F)c(=O)[n-]1 ZINC000282737172 498633557 /nfs/dbraw/zinc/63/35/57/498633557.db2.gz LPMGTFRCHOJWEY-UHFFFAOYSA-N -1 3 355.316 3.111 20 0 FGADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000363070877 498635382 /nfs/dbraw/zinc/63/53/82/498635382.db2.gz AEYLGHBKUNHOLW-QGZVFWFLSA-N -1 3 362.385 3.234 20 0 FGADHM Cc1ccc([O-])c(C(=O)N2CCC[C@@H](c3nc(C(F)(F)F)cn3C)C2)c1 ZINC000332301534 498641583 /nfs/dbraw/zinc/64/15/83/498641583.db2.gz HWNYWCYDJMIAPP-GFCCVEGCSA-N -1 3 367.371 3.473 20 0 FGADHM Cc1ccc2c(c1)[C@H]([N-]S(=O)(=O)c1cc(F)ccc1OC(F)F)CO2 ZINC000581787126 506066927 /nfs/dbraw/zinc/06/69/27/506066927.db2.gz UUPSGYJWRREIHV-GFCCVEGCSA-N -1 3 373.352 3.148 20 0 FGADHM Cc1ccc(CN2CCC[C@@H](c3n[n-]c(=O)o3)C2)cc1Br ZINC000332311270 498645135 /nfs/dbraw/zinc/64/51/35/498645135.db2.gz LZQCXMGRCOODJJ-GFCCVEGCSA-N -1 3 352.232 3.226 20 0 FGADHM Cc1nn(C(C)(C)C)cc1C(=O)N=c1nc(-c2ccccc2Cl)[n-]n1C ZINC000365804693 498648868 /nfs/dbraw/zinc/64/88/68/498648868.db2.gz RITABAWNSOZNKY-UHFFFAOYSA-N -1 3 372.860 3.070 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cccc4c3OCO4)c2)n1 ZINC000363108950 498653740 /nfs/dbraw/zinc/65/37/40/498653740.db2.gz WVAQDIJCMYEGBW-UHFFFAOYSA-N -1 3 363.373 3.393 20 0 FGADHM CC(C)C(=O)c1ccc([C@@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000282789270 498655969 /nfs/dbraw/zinc/65/59/69/498655969.db2.gz GWNOCSRKQJTQKG-CYBMUJFWSA-N -1 3 363.421 3.448 20 0 FGADHM CC(C)C(=O)c1ccc([C@@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000282789270 498655974 /nfs/dbraw/zinc/65/59/74/498655974.db2.gz GWNOCSRKQJTQKG-CYBMUJFWSA-N -1 3 363.421 3.448 20 0 FGADHM CC(C)(C)CC(=O)N1CSC[C@H]1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000303270626 498658838 /nfs/dbraw/zinc/65/88/38/498658838.db2.gz CGNOMEWGOBZJIL-LBPRGKRZSA-N -1 3 356.875 3.322 20 0 FGADHM O=S(=O)([N-]Cc1cn2c(n1)CCCC2)c1cc(Cl)cc(Cl)c1 ZINC000332353782 498659385 /nfs/dbraw/zinc/65/93/85/498659385.db2.gz VOEIGUAKMRFTCB-UHFFFAOYSA-N -1 3 360.266 3.005 20 0 FGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]C[C@H]1CCN(C2CC2)C1 ZINC000570019134 506069858 /nfs/dbraw/zinc/06/98/58/506069858.db2.gz ZKUVDZIPKVGDHK-GFCCVEGCSA-N -1 3 368.886 3.157 20 0 FGADHM CCOc1ccc(C[N-]S(=O)(=O)c2cc(F)c(F)cc2F)cc1F ZINC000303358540 498667072 /nfs/dbraw/zinc/66/70/72/498667072.db2.gz SDBZGQVMTULJAH-UHFFFAOYSA-N -1 3 363.332 3.120 20 0 FGADHM CC1(C)CCC[C@]1(O)C[N-]S(=O)(=O)Cc1ccccc1C(F)(F)F ZINC000579010578 506073586 /nfs/dbraw/zinc/07/35/86/506073586.db2.gz LCUDYIFEXWJKJZ-HNNXBMFYSA-N -1 3 365.417 3.066 20 0 FGADHM CCc1ccc([C@H](CNC(=O)c2s[n-]c(=O)c2Cl)N(C)C)cc1 ZINC000282860536 498684123 /nfs/dbraw/zinc/68/41/23/498684123.db2.gz CRAHSPSACNBCQA-LBPRGKRZSA-N -1 3 353.875 3.097 20 0 FGADHM Cc1cc(C2CCN(C(=O)c3ccc(Br)cc3[O-])CC2)n[nH]1 ZINC000332433893 498686121 /nfs/dbraw/zinc/68/61/21/498686121.db2.gz GAVOIPWSCAMYIX-UHFFFAOYSA-N -1 3 364.243 3.206 20 0 FGADHM CCc1cc(C(=O)NCC2CCN(C(=O)c3ccccc3)CC2)ccc1[O-] ZINC000365884355 498686671 /nfs/dbraw/zinc/68/66/71/498686671.db2.gz GMBVNWGKSFXDHC-UHFFFAOYSA-N -1 3 366.461 3.237 20 0 FGADHM C[C@H](C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1)N1[C@H](C)CC[C@H]1C ZINC000363198186 498699615 /nfs/dbraw/zinc/69/96/15/498699615.db2.gz AXZGWPDEANJVPL-BZUAXINKSA-N -1 3 358.482 3.075 20 0 FGADHM Cc1cccc(C(=O)N[C@H]2CCN(c3ccccc3OC(F)F)C2)c1[O-] ZINC000303656199 498702271 /nfs/dbraw/zinc/70/22/71/498702271.db2.gz LSDFPAWRWHLOQD-ZDUSSCGKSA-N -1 3 362.376 3.311 20 0 FGADHM CO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000579023242 506076361 /nfs/dbraw/zinc/07/63/61/506076361.db2.gz LALLRCKYNFCUIY-LZLYRXPVSA-N -1 3 367.449 3.141 20 0 FGADHM COc1ccc(C(=O)N[C@@H]2CCCN(c3ccccc3Cl)C2)c([O-])c1 ZINC000303847019 498722151 /nfs/dbraw/zinc/72/21/51/498722151.db2.gz JKNYEKKFRYDDAD-CYBMUJFWSA-N -1 3 360.841 3.453 20 0 FGADHM Cc1c(-c2ccncc2)[n-][nH]c1=NC(=O)c1csc(Br)c1 ZINC000363297133 498750103 /nfs/dbraw/zinc/75/01/03/498750103.db2.gz LAJUKPVIWMMSDV-UHFFFAOYSA-N -1 3 363.240 3.278 20 0 FGADHM [O-]c1cccnc1CSc1nnc(-c2ccncc2)n1CC(F)(F)F ZINC000572921836 506083685 /nfs/dbraw/zinc/08/36/85/506083685.db2.gz BFGQRCFIKHPZPE-UHFFFAOYSA-N -1 3 367.356 3.295 20 0 FGADHM C[C@H](SCc1cc(=O)[n-]c(C2CC2)n1)C(=O)N1CCc2ccccc2C1 ZINC000576135447 506085240 /nfs/dbraw/zinc/08/52/40/506085240.db2.gz IXPJWSVEUSKBBX-ZDUSSCGKSA-N -1 3 369.490 3.266 20 0 FGADHM Cn1cnnc1[C@H]1CCCN(C(=O)CCc2ccc3ccccc3c2[O-])C1 ZINC000294644293 498759359 /nfs/dbraw/zinc/75/93/59/498759359.db2.gz XZZHURIFMNFLPX-KRWDZBQOSA-N -1 3 364.449 3.013 20 0 FGADHM Cc1cc(=O)[n-]c([C@H](C)N[C@H](c2noc(C3CC3)n2)c2ccccc2)n1 ZINC000366074088 498763759 /nfs/dbraw/zinc/76/37/59/498763759.db2.gz ADKOACBNLMBJCS-LRDDRELGSA-N -1 3 351.410 3.191 20 0 FGADHM COC(=O)c1ccsc1[N-]C(=O)C(=O)N1CCC(C)(CC(C)C)CC1 ZINC000581908523 506087250 /nfs/dbraw/zinc/08/72/50/506087250.db2.gz LVLLLKRYIBRGID-UHFFFAOYSA-N -1 3 366.483 3.148 20 0 FGADHM c1ccc(-c2n[n-]nc2-c2nc(-c3ccc(N4CCCC4)cn3)no2)cc1 ZINC000576145672 506087593 /nfs/dbraw/zinc/08/75/93/506087593.db2.gz SSCJQJCBDAFMSH-UHFFFAOYSA-N -1 3 359.393 3.184 20 0 FGADHM CCc1cc(C(=O)N2CCC(c3noc(C(F)F)n3)CC2)ccc1[O-] ZINC000366096993 498773177 /nfs/dbraw/zinc/77/31/77/498773177.db2.gz ZOHNVRSJTWXLLB-UHFFFAOYSA-N -1 3 351.353 3.295 20 0 FGADHM COC(=O)c1ccccc1S(=O)(=O)[N-]c1cc(C)c(F)cc1Cl ZINC000323920579 498824630 /nfs/dbraw/zinc/82/46/30/498824630.db2.gz NMTPUNUJMLOJLM-UHFFFAOYSA-N -1 3 357.790 3.375 20 0 FGADHM CC(C)[C@H]([N-]S(=O)(=O)C[C@@H](C)c1ccccc1)C(=O)OC(C)(C)C ZINC000325464838 498836844 /nfs/dbraw/zinc/83/68/44/498836844.db2.gz DRDWEGALMSOFJQ-ZBFHGGJFSA-N -1 3 355.500 3.076 20 0 FGADHM C[N-]S(=O)(=O)c1cc(NC(=O)N(C)[C@H](C)c2cccs2)ccc1F ZINC000287690188 498837655 /nfs/dbraw/zinc/83/76/55/498837655.db2.gz YYANNBXQLSCRDU-SNVBAGLBSA-N -1 3 371.459 3.020 20 0 FGADHM COc1nc(C(=O)N=c2[nH][n-]c(C)c2-c2ccncc2)cc2ccccc21 ZINC000366261849 498847247 /nfs/dbraw/zinc/84/72/47/498847247.db2.gz UNBHHPDGLLYPGH-UHFFFAOYSA-N -1 3 359.389 3.011 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)c1-c1ccncc1 ZINC000366260450 498847543 /nfs/dbraw/zinc/84/75/43/498847543.db2.gz YBPJZKLSKWAEEH-UKRRQHHQSA-N -1 3 354.360 3.222 20 0 FGADHM CCOC(=O)c1ccsc1[N-]C(=O)C(=O)N(C)Cc1cccc(C)c1C ZINC000294918515 498850538 /nfs/dbraw/zinc/85/05/38/498850538.db2.gz GRPITYZZBKBMSU-UHFFFAOYSA-N -1 3 374.462 3.139 20 0 FGADHM CCc1c([N-]C(=O)c2cn(-c3ccc(C)cc3)nn2)onc1C(F)(F)F ZINC000287777476 498861064 /nfs/dbraw/zinc/86/10/64/498861064.db2.gz HVOUSSCQGIZWSG-UHFFFAOYSA-N -1 3 365.315 3.397 20 0 FGADHM COc1ccc(C(=O)N2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)c([O-])c1 ZINC000287783712 498863045 /nfs/dbraw/zinc/86/30/45/498863045.db2.gz INSVDNZNQSNYSA-QRVBRYPASA-N -1 3 353.418 3.046 20 0 FGADHM O=C(c1ccc(C(=O)N2CCC[C@@H]3COCC[C@H]32)cc1)c1cccc([O-])c1 ZINC000333016894 498870354 /nfs/dbraw/zinc/87/03/54/498870354.db2.gz CJAJJDAHXBQJCP-UYAOXDASSA-N -1 3 365.429 3.264 20 0 FGADHM Cc1csc(S(=O)(=O)[N-][C@H]2c3ccccc3CC23CCOCC3)c1 ZINC000333078490 498891207 /nfs/dbraw/zinc/89/12/07/498891207.db2.gz LJXBLJOOSSNUOP-KRWDZBQOSA-N -1 3 363.504 3.429 20 0 FGADHM C[C@@H]1CCN([C@@H](C(=O)Nc2ccccc2)c2ccccc2)C[C@H]1C(=O)[O-] ZINC000573000796 506096436 /nfs/dbraw/zinc/09/64/36/506096436.db2.gz RTYXWGYDYSUKLT-ATZDWAIDSA-N -1 3 352.434 3.409 20 0 FGADHM CC1(C)Cc2ccc(C(=O)N3CCC[C@@H]3[C@@H]3CCCC[C@@H]3O)c([O-])c2O1 ZINC000333108367 498900693 /nfs/dbraw/zinc/90/06/93/498900693.db2.gz WWHZEKFHAKXZCW-UAGQMJEPSA-N -1 3 359.466 3.261 20 0 FGADHM COc1ccc(CNCCc2scnc2C)c(Br)c1[O-] ZINC000295095678 498907742 /nfs/dbraw/zinc/90/77/42/498907742.db2.gz UIDWTGFBRCGKRY-UHFFFAOYSA-N -1 3 357.273 3.261 20 0 FGADHM CCOC(=O)C(C)(C)c1csc([N-]C(=O)c2cc(C(C)C)no2)n1 ZINC000287987615 498919022 /nfs/dbraw/zinc/91/90/22/498919022.db2.gz AGDUOYPHJKNSIO-UHFFFAOYSA-N -1 3 351.428 3.348 20 0 FGADHM O=C(CCCN1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1)c1ccccc1 ZINC000295174515 498932516 /nfs/dbraw/zinc/93/25/16/498932516.db2.gz HGQUIJLITARPSU-AWEZNQCLSA-N -1 3 356.388 3.040 20 0 FGADHM C[C@@]12CCCN1C[C@@H](c1noc(-c3ccc4c(c3[O-])CCCC4)n1)OC2 ZINC000333219583 498942062 /nfs/dbraw/zinc/94/20/62/498942062.db2.gz DIASVVHLQJFQRG-JXFKEZNVSA-N -1 3 355.438 3.247 20 0 FGADHM C[C@@H]1[C@H](N=c2[n-]nc(-c3ccccn3)s2)CCN1Cc1ccccc1 ZINC000576257949 506115315 /nfs/dbraw/zinc/11/53/15/506115315.db2.gz KRODOKHNFRSFPS-GDBMZVCRSA-N -1 3 351.479 3.097 20 0 FGADHM CC1(C)Cc2ccc(C(=O)N3C[C@@H](O)C[C@H]3c3ccc(F)cc3)c([O-])c2O1 ZINC000333231879 498945536 /nfs/dbraw/zinc/94/55/36/498945536.db2.gz GUGCNQNLDQGKIJ-RDJZCZTQSA-N -1 3 371.408 3.193 20 0 FGADHM Cc1c(NC(=O)c2ccc3c(c2[O-])CCCC3)cnn1C1CCOCC1 ZINC000295271779 498962595 /nfs/dbraw/zinc/96/25/95/498962595.db2.gz BYDSSRPCVCFXGO-UHFFFAOYSA-N -1 3 355.438 3.380 20 0 FGADHM CCCc1nnc([N-]C(=O)c2sc([C@@H]3CCCOC3)nc2C)s1 ZINC000366581500 498989974 /nfs/dbraw/zinc/98/99/74/498989974.db2.gz MZHSRSNGEQMXQB-SNVBAGLBSA-N -1 3 352.485 3.402 20 0 FGADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CC[C@H](Oc2ccccc2Cl)C1 ZINC000366604357 498999330 /nfs/dbraw/zinc/99/93/30/498999330.db2.gz ROHJFCJKVCKFKM-ZDUSSCGKSA-N -1 3 368.820 3.475 20 0 FGADHM Cc1cccc2c(=O)c(C(=O)N3CC4(CCC4)[C@H]3C3CCOCC3)c[n-]c12 ZINC000333406166 498999605 /nfs/dbraw/zinc/99/96/05/498999605.db2.gz GMVHZPIHFDMCHF-HXUWFJFHSA-N -1 3 366.461 3.258 20 0 FGADHM CCN1CCc2c(cccc2NC(=O)c2cc(F)c(F)c([O-])c2F)C1 ZINC000363806539 499002351 /nfs/dbraw/zinc/00/23/51/499002351.db2.gz QLVYZPDAEBTLQH-UHFFFAOYSA-N -1 3 350.340 3.440 20 0 FGADHM COCc1nc(CNc2c(C(=O)[O-])cnc3c(C)cc(C)cc32)cs1 ZINC000582065351 506125415 /nfs/dbraw/zinc/12/54/15/506125415.db2.gz JJOIMAZRGBJHEO-UHFFFAOYSA-N -1 3 357.435 3.187 20 0 FGADHM CCOC(=O)Nc1scnc1C(=O)[N-]c1cc(OC)c(OC)cc1F ZINC000291591076 499004329 /nfs/dbraw/zinc/00/43/29/499004329.db2.gz WFRDSZHIQBYKMW-UHFFFAOYSA-N -1 3 369.374 3.120 20 0 FGADHM CC(C)c1nn(C)c2sc(C(=O)Nc3nc(-c4ccncc4)n[n-]3)cc12 ZINC000366623231 499007113 /nfs/dbraw/zinc/00/71/13/499007113.db2.gz VJJUVICLHGTNPY-UHFFFAOYSA-N -1 3 367.438 3.191 20 0 FGADHM CCOc1cc(CNCc2nnc3n2CCCCC3)cc(Cl)c1[O-] ZINC000299272591 499010843 /nfs/dbraw/zinc/01/08/43/499010843.db2.gz URDGAQSSSHVJSG-UHFFFAOYSA-N -1 3 350.850 3.052 20 0 FGADHM Cc1ccc(-c2nc(C)c(C(=O)[N-]c3ncn(-c4cccnc4)n3)s2)o1 ZINC000366644885 499016228 /nfs/dbraw/zinc/01/62/28/499016228.db2.gz ROHBGTZGMXQRJB-UHFFFAOYSA-N -1 3 366.406 3.248 20 0 FGADHM CN(C(=O)c1n[n-]nc1-c1ccccc1)c1nnc(-c2ccccc2)s1 ZINC000366643375 499016423 /nfs/dbraw/zinc/01/64/23/499016423.db2.gz FZVNYXXUGSJDKM-UHFFFAOYSA-N -1 3 362.418 3.267 20 0 FGADHM O=S(=O)(C[C@@H]1CCCC1(F)F)[N-]C[C@H](O)c1ccc2ccccc2c1 ZINC000295518422 499040239 /nfs/dbraw/zinc/04/02/39/499040239.db2.gz IGVSIRYSOIEJDM-IRXDYDNUSA-N -1 3 369.433 3.228 20 0 FGADHM COc1cc(/C=C/C(=O)N[C@@H](C)C(F)(F)F)cc(Br)c1[O-] ZINC000291710123 499043758 /nfs/dbraw/zinc/04/37/58/499043758.db2.gz HJXGWEXRMWRJMA-SDLBARTOSA-N -1 3 368.149 3.244 20 0 FGADHM O=C(Nc1nnc(-c2ccco2)[n-]1)C1(Cc2ccc(F)cc2)CCOCC1 ZINC000299402658 499048944 /nfs/dbraw/zinc/04/89/44/499048944.db2.gz VCUHXVRDQGJXDJ-UHFFFAOYSA-N -1 3 370.384 3.182 20 0 FGADHM O=C(Nc1nc(-c2ccco2)n[n-]1)C1(Cc2ccc(F)cc2)CCOCC1 ZINC000299402658 499048950 /nfs/dbraw/zinc/04/89/50/499048950.db2.gz VCUHXVRDQGJXDJ-UHFFFAOYSA-N -1 3 370.384 3.182 20 0 FGADHM O=C(Nc1n[n-]c(-c2ccco2)n1)C1(Cc2ccc(F)cc2)CCOCC1 ZINC000299402658 499048952 /nfs/dbraw/zinc/04/89/52/499048952.db2.gz VCUHXVRDQGJXDJ-UHFFFAOYSA-N -1 3 370.384 3.182 20 0 FGADHM CN(C)C(=O)O[C@H]1CCCN(C(=O)CCc2ccc3ccccc3c2[O-])C1 ZINC000295591840 499058878 /nfs/dbraw/zinc/05/88/78/499058878.db2.gz HDIYBFIYVAYHNW-KRWDZBQOSA-N -1 3 370.449 3.167 20 0 FGADHM CC[C@H](C)CO[N-]C(=O)Nc1ccc(NC(=O)NC[C@@H]2CCCO2)cc1 ZINC000291795191 499069686 /nfs/dbraw/zinc/06/96/86/499069686.db2.gz PFPWZECYEHZVLC-BBRMVZONSA-N -1 3 364.446 3.086 20 0 FGADHM O=S(=O)(CCC(F)(F)F)[N-]C[C@@H](O)c1ccc(-c2ccccc2)cc1 ZINC000284260356 499077671 /nfs/dbraw/zinc/07/76/71/499077671.db2.gz KVAMHJUVSYHFCU-MRXNPFEDSA-N -1 3 373.396 3.259 20 0 FGADHM Cc1nn(C)c(OCC(F)(F)F)c1CN[C@@H](CC(=O)[O-])CC(C)(C)C ZINC000284272834 499080744 /nfs/dbraw/zinc/08/07/44/499080744.db2.gz PUKSKFZITDBSCN-NSHDSACASA-N -1 3 365.396 3.039 20 0 FGADHM O=C(Nc1cccc([O-])c1F)[C@H]1CCCN1C(=O)c1ccc(Cl)s1 ZINC000367110276 499150204 /nfs/dbraw/zinc/15/02/04/499150204.db2.gz MGNNRVXTKKESHC-SNVBAGLBSA-N -1 3 368.817 3.490 20 0 FGADHM CSc1ccc(C(=O)N2CCc3[nH]nc(C(F)(F)F)c3C2)c([O-])c1 ZINC000370060283 499173085 /nfs/dbraw/zinc/17/30/85/499173085.db2.gz AYSXBWMKNCMHCR-UHFFFAOYSA-N -1 3 357.357 3.055 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC[C@H](C[C@@H]4CCOC4)C3)nc2)n1 ZINC000367358188 499187697 /nfs/dbraw/zinc/18/76/97/499187697.db2.gz HSHWLSSDULMATL-CVEARBPZSA-N -1 3 368.481 3.450 20 0 FGADHM C[C@@]1(c2ccc(C(=O)N3CCCC34CCCCCC4)cc2)NC(=O)[N-]C1=O ZINC000367744371 499230312 /nfs/dbraw/zinc/23/03/12/499230312.db2.gz AHWCFRJGSKKUDN-FQEVSTJZSA-N -1 3 369.465 3.070 20 0 FGADHM Cc1cc(C)cc(NC(=O)NC2CCN(C(=O)c3cccc([O-])c3)CC2)c1 ZINC000370743970 499250622 /nfs/dbraw/zinc/25/06/22/499250622.db2.gz ZJDVNQFTQIMTFO-UHFFFAOYSA-N -1 3 367.449 3.435 20 0 FGADHM O=C(Nc1n[n-]c(-c2ccccc2F)n1)c1cncc(-c2ccccn2)c1 ZINC000368000889 499253834 /nfs/dbraw/zinc/25/38/34/499253834.db2.gz MZMSSKCVNFFRMQ-UHFFFAOYSA-N -1 3 360.352 3.320 20 0 FGADHM CC[C@H](Oc1ccccc1F)C(=O)N=c1[nH][n-]c(-c2ccncc2)c1C ZINC000368221054 499275383 /nfs/dbraw/zinc/27/53/83/499275383.db2.gz HADQSNOUNAUGNK-HNNXBMFYSA-N -1 3 354.385 3.137 20 0 FGADHM COc1cc(C(=O)N[C@H](c2ccccn2)C2CCCC2)cc(OC)c1[O-] ZINC000371296630 499306854 /nfs/dbraw/zinc/30/68/54/499306854.db2.gz BFZMODHKCKPWJC-SFHVURJKSA-N -1 3 356.422 3.466 20 0 FGADHM COc1cc(C(=O)N2CCC[C@@H]2COc2ccccc2)cc(OC)c1[O-] ZINC000371361639 499315198 /nfs/dbraw/zinc/31/51/98/499315198.db2.gz SIRSDGZSFSYSMU-OAHLLOKOSA-N -1 3 357.406 3.093 20 0 FGADHM Cc1ncc(S(=O)(=O)[N-][C@@H](c2cccc(F)c2)c2ccccn2)s1 ZINC000371370095 499316185 /nfs/dbraw/zinc/31/61/85/499316185.db2.gz SRSSTANRLJDTBX-INIZCTEOSA-N -1 3 363.439 3.054 20 0 FGADHM Cc1n[nH]cc1-c1nnc([N-]C(=O)c2sccc2Br)s1 ZINC000368735115 499326678 /nfs/dbraw/zinc/32/66/78/499326678.db2.gz ZUEAAAXGDRAHHU-UHFFFAOYSA-N -1 3 370.257 3.313 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N3CCO[C@@H](C4CCCCC4)C3)c[n-]c12 ZINC000368864319 499340966 /nfs/dbraw/zinc/34/09/66/499340966.db2.gz ZCQPOOCTNATLJK-GOSISDBHSA-N -1 3 372.440 3.397 20 0 FGADHM CSc1ccc(C(=O)N2CCC(Oc3ccc(F)nc3)CC2)c([O-])c1 ZINC000368916295 499346168 /nfs/dbraw/zinc/34/61/68/499346168.db2.gz YKOCROXBJDIFRT-UHFFFAOYSA-N -1 3 362.426 3.332 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC(n4cc(C)cn4)CC3)nc2)n1 ZINC000369275661 499386375 /nfs/dbraw/zinc/38/63/75/499386375.db2.gz YKTPKXQVWVIFHJ-UHFFFAOYSA-N -1 3 364.453 3.153 20 0 FGADHM Cn1ccc([C@@H](NC(=O)/C=C/c2cncc([O-])c2)c2ccc(Cl)cc2)n1 ZINC000372029413 499391113 /nfs/dbraw/zinc/39/11/13/499391113.db2.gz BQVFQIIRRVDAIJ-GBVBSETHSA-N -1 3 368.824 3.093 20 0 FGADHM O=C([O-])c1cccc(OCCN2CCC[C@@H]2c2ccc3c(c2)OCO3)c1 ZINC000570338499 506144893 /nfs/dbraw/zinc/14/48/93/506144893.db2.gz VZLJHGJDVROWJS-QGZVFWFLSA-N -1 3 355.390 3.329 20 0 FGADHM O=C(N[C@@H]1CCCN(c2cccc(F)c2)C1)c1cc(=O)c2ccccc2[n-]1 ZINC000369369273 499396383 /nfs/dbraw/zinc/39/63/83/499396383.db2.gz FYVKXKRQLRPBNS-OAHLLOKOSA-N -1 3 365.408 3.066 20 0 FGADHM O=C(N[C@H]1CCO[C@@]2(CCOC2)C1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000369375567 499397299 /nfs/dbraw/zinc/39/72/99/499397299.db2.gz OVLJPRMCTJFUIZ-AVRDEDQJSA-N -1 3 367.445 3.051 20 0 FGADHM CC(C)C[C@@H](C)S(=O)(=O)[N-][C@H](c1noc(C2CC2)n1)c1ccccc1 ZINC000369448004 499404212 /nfs/dbraw/zinc/40/42/12/499404212.db2.gz RWEDRBAMTRNACG-CJNGLKHVSA-N -1 3 363.483 3.390 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H]3CN(C)Cc4ccccc43)nc2)n1 ZINC000372298447 499417936 /nfs/dbraw/zinc/41/79/36/499417936.db2.gz ONUVBSRDEVJYRS-SFHVURJKSA-N -1 3 361.449 3.405 20 0 FGADHM Cc1cccc(C(=O)N2[C@@H]3CC[C@H]2C[C@H](NC(=O)OC(C)(C)C)C3)c1[O-] ZINC000372358229 499424546 /nfs/dbraw/zinc/42/45/46/499424546.db2.gz MTLLNFMCBUUSLK-QKDCVEJESA-N -1 3 360.454 3.361 20 0 FGADHM Cc1cccc(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C3)c1[O-] ZINC000372358224 499424706 /nfs/dbraw/zinc/42/47/06/499424706.db2.gz MTLLNFMCBUUSLK-QDMKHBRRSA-N -1 3 360.454 3.361 20 0 FGADHM O=C(c1c[n-]c2ccncc2c1=O)N1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000573214668 506146239 /nfs/dbraw/zinc/14/62/39/506146239.db2.gz SOABMLWTBPFUBN-AWEZNQCLSA-N -1 3 365.408 3.472 20 0 FGADHM O=C(c1ccc([O-])cc1)C1CCN(Cc2ccc(N3CCCC3)nc2)CC1 ZINC000372443943 499435568 /nfs/dbraw/zinc/43/55/68/499435568.db2.gz ZDSWIYIITZGCBM-UHFFFAOYSA-N -1 3 365.477 3.482 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCCC23CCC3)c1 ZINC000373132054 499452985 /nfs/dbraw/zinc/45/29/85/499452985.db2.gz UPVTWPOAXUYPON-UHFFFAOYSA-N -1 3 355.394 3.100 20 0 FGADHM CCOc1cc(-c2noc([C@H]3CC(=O)Nc4cc(F)ccc43)n2)ccc1[O-] ZINC000373219069 499458200 /nfs/dbraw/zinc/45/82/00/499458200.db2.gz VABYMZCCZLUVIB-ZDUSSCGKSA-N -1 3 369.352 3.454 20 0 FGADHM CCc1ccc(C(=O)N2CCC[C@H]2c2nnc3n2CCCCC3)c([O-])c1 ZINC000373637796 499481135 /nfs/dbraw/zinc/48/11/35/499481135.db2.gz ZSOKDVAINVNUDZ-INIZCTEOSA-N -1 3 354.454 3.250 20 0 FGADHM Cc1cc([N-]S(=O)(=O)c2ccccc2OC(F)F)c2c(n1)CCCC2 ZINC000573217202 506146858 /nfs/dbraw/zinc/14/68/58/506146858.db2.gz ALLKLYRRJBMXGR-UHFFFAOYSA-N -1 3 368.405 3.093 20 0 FGADHM Cc1cc(-c2noc([C@@H](C)NC(=O)/C=C/c3cncc([O-])c3)n2)ccc1F ZINC000378556269 499531511 /nfs/dbraw/zinc/53/15/11/499531511.db2.gz VUNAUEXCSTXKST-MJRJWQSSSA-N -1 3 368.368 3.175 20 0 FGADHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)C[C@](C)(O)c3ccccc3)c2)n1 ZINC000378561050 499531800 /nfs/dbraw/zinc/53/18/00/499531800.db2.gz SYOGWTOTSFLAAE-NRFANRHFSA-N -1 3 363.417 3.394 20 0 FGADHM O=S(=O)([N-]Cc1nccs1)c1c(Cl)cccc1Br ZINC000380994245 499544040 /nfs/dbraw/zinc/54/40/40/499544040.db2.gz IVOBMPPJDBKQRL-UHFFFAOYSA-N -1 3 367.677 3.038 20 0 FGADHM CCOCC(C)(C)[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000381718238 499545406 /nfs/dbraw/zinc/54/54/06/499545406.db2.gz TXKONAYAECFJFK-UHFFFAOYSA-N -1 3 370.696 3.196 20 0 FGADHM Cc1csc(C[N-]S(=O)(=O)c2ccc(Br)s2)c1 ZINC000383055395 499546179 /nfs/dbraw/zinc/54/61/79/499546179.db2.gz BMSLLQPRLRPANV-UHFFFAOYSA-N -1 3 352.300 3.359 20 0 FGADHM CO[C@@H](C)c1nsc(=NC[C@H]2CCCN(Cc3cccs3)C2)[n-]1 ZINC000375698664 499546589 /nfs/dbraw/zinc/54/65/89/499546589.db2.gz ULHWZQUJUWOKOA-QWHCGFSZSA-N -1 3 352.529 3.053 20 0 FGADHM CO[C@@H](C)c1nc(=NC[C@H]2CCCN(Cc3cccs3)C2)s[n-]1 ZINC000375698664 499546591 /nfs/dbraw/zinc/54/65/91/499546591.db2.gz ULHWZQUJUWOKOA-QWHCGFSZSA-N -1 3 352.529 3.053 20 0 FGADHM CN(Cc1cc(=O)oc2cc([O-])c(Cl)cc12)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000375699602 499546826 /nfs/dbraw/zinc/54/68/26/499546826.db2.gz AXTUSPFGODOYRX-HWOJHCLVSA-N -1 3 363.841 3.397 20 0 FGADHM COc1cc(CN[C@@H](C(=O)[O-])c2ccccc2)cc(Br)c1O ZINC000385883167 499548522 /nfs/dbraw/zinc/54/85/22/499548522.db2.gz MIGBDNSJZNDARH-CQSZACIVSA-N -1 3 366.211 3.079 20 0 FGADHM C[C@H]1CN(Cc2ccccc2)CC[C@@H]1N=c1[n-]c(C(F)(F)F)ns1 ZINC000398132490 499566817 /nfs/dbraw/zinc/56/68/17/499566817.db2.gz KAUMYIBDRBLHRS-AAEUAGOBSA-N -1 3 356.417 3.301 20 0 FGADHM CCC[C@H](NCc1cc(Cl)ccc1I)C(=O)[O-] ZINC000405240014 499571162 /nfs/dbraw/zinc/57/11/62/499571162.db2.gz BGQUCKKUOPBERM-NSHDSACASA-N -1 3 367.614 3.288 20 0 FGADHM CC1(C)Cc2ccc(C(=O)N3CCCN(c4ccccc4)CC3)c([O-])c2O1 ZINC000408410566 499587100 /nfs/dbraw/zinc/58/71/00/499587100.db2.gz UURLNDMXTVOBSK-UHFFFAOYSA-N -1 3 366.461 3.458 20 0 FGADHM COc1ccc(C(=O)N2CCC[C@@H]2C(=O)Nc2cc(Cl)ccc2[O-])cc1 ZINC000409491453 499601158 /nfs/dbraw/zinc/60/11/58/499601158.db2.gz PNHWLZCSQDUJPF-MRXNPFEDSA-N -1 3 374.824 3.298 20 0 FGADHM COc1ccc(C(=O)N2CCC[C@H]2C(=O)Nc2cc(Cl)ccc2[O-])cc1 ZINC000409491452 499601176 /nfs/dbraw/zinc/60/11/76/499601176.db2.gz PNHWLZCSQDUJPF-INIZCTEOSA-N -1 3 374.824 3.298 20 0 FGADHM C[C@H](NC(=O)CN1CC[C@@H](C)[C@@H](C(=O)[O-])C1)c1cccc2ccccc21 ZINC000573247859 506152210 /nfs/dbraw/zinc/15/22/10/506152210.db2.gz QQUUXOMDYHOFQT-VCBZYWHSSA-N -1 3 354.450 3.060 20 0 FGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](c2ccc(F)cc2)C(C)C)s1 ZINC000409803825 499622533 /nfs/dbraw/zinc/62/25/33/499622533.db2.gz KKDVILKVMUDKON-OAHLLOKOSA-N -1 3 371.455 3.349 20 0 FGADHM CCN(C(=O)CN1C[C@H](C(=O)[O-])CC[C@@H]1C)c1cccc2ccccc21 ZINC000573247718 506152486 /nfs/dbraw/zinc/15/24/86/506152486.db2.gz JCILOATXVJAGBT-DOTOQJQBSA-N -1 3 354.450 3.378 20 0 FGADHM O=C(Nc1nnc(-c2c(F)cccc2F)[n-]1)[C@H]1CCC(=O)c2ccccc21 ZINC000376676327 499628026 /nfs/dbraw/zinc/62/80/26/499628026.db2.gz ACCUIBNGQPVMJE-LBPRGKRZSA-N -1 3 368.343 3.449 20 0 FGADHM O=C(Nc1nc(-c2c(F)cccc2F)n[n-]1)[C@H]1CCC(=O)c2ccccc21 ZINC000376676327 499628028 /nfs/dbraw/zinc/62/80/28/499628028.db2.gz ACCUIBNGQPVMJE-LBPRGKRZSA-N -1 3 368.343 3.449 20 0 FGADHM O=C(Nc1n[n-]c(-c2c(F)cccc2F)n1)[C@H]1CCC(=O)c2ccccc21 ZINC000376676327 499628030 /nfs/dbraw/zinc/62/80/30/499628030.db2.gz ACCUIBNGQPVMJE-LBPRGKRZSA-N -1 3 368.343 3.449 20 0 FGADHM CCN(C(=O)c1cccc(C)c1[O-])[C@@H](c1nccn1C)c1cccnc1 ZINC000376818530 499637128 /nfs/dbraw/zinc/63/71/28/499637128.db2.gz KTOUIZCYOCLDPW-QGZVFWFLSA-N -1 3 350.422 3.081 20 0 FGADHM CC(C)c1ncncc1C(=O)[N-]c1nnc(Cc2cccc(F)c2)s1 ZINC000410046784 499638089 /nfs/dbraw/zinc/63/80/89/499638089.db2.gz LZILIAOQPGSNJR-UHFFFAOYSA-N -1 3 357.414 3.434 20 0 FGADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCC3(C[C@H]3c3nnc(C(C)C)o3)CC2)n1 ZINC000377040529 499656381 /nfs/dbraw/zinc/65/63/81/499656381.db2.gz PHWSAHFMNMAWBX-KGLIPLIRSA-N -1 3 357.458 3.328 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@H](C)Cn2ccc3ccccc32)c1-c1ccncc1 ZINC000377207397 499670760 /nfs/dbraw/zinc/67/07/60/499670760.db2.gz KHHRHPWDLQZBFC-CQSZACIVSA-N -1 3 359.433 3.432 20 0 FGADHM COc1c(F)cc([N-]C(=O)c2snnc2C(C)(C)C)c(OC)c1F ZINC000411042090 499692256 /nfs/dbraw/zinc/69/22/56/499692256.db2.gz CWGUYJGLPCLHPU-UHFFFAOYSA-N -1 3 357.382 3.383 20 0 FGADHM COC(=O)c1sc(NC(=O)c2cccc(OC)c2[O-])nc1C(C)C ZINC000411054077 499693647 /nfs/dbraw/zinc/69/36/47/499693647.db2.gz AKUPUWSTXYBPGQ-UHFFFAOYSA-N -1 3 350.396 3.020 20 0 FGADHM CCN(CC)C(=O)CCCC(=O)Nc1cccc(-c2nc(C)cc(=O)[n-]2)c1 ZINC000377513748 499699124 /nfs/dbraw/zinc/69/91/24/499699124.db2.gz ADKQDOXPOKBDHA-UHFFFAOYSA-N -1 3 370.453 3.135 20 0 FGADHM CO[C@H](C)c1nc(C)c(C(=O)[N-]c2cc(-c3cncc(C)c3)on2)s1 ZINC000377574694 499706262 /nfs/dbraw/zinc/70/62/62/499706262.db2.gz XELNDNYLPJHXTQ-LLVKDONJSA-N -1 3 358.423 3.192 20 0 FGADHM CC(=O)c1ncc(C(=O)[N-]c2nc(CN3CCCCC3)cs2)s1 ZINC000411234237 499715047 /nfs/dbraw/zinc/71/50/47/499715047.db2.gz BNJUPJGYHYODEC-UHFFFAOYSA-N -1 3 350.469 3.040 20 0 FGADHM CCC1CCC(CNC(=O)C(=O)[N-]c2nccn2-c2ccccc2)CC1 ZINC000411241599 499716150 /nfs/dbraw/zinc/71/61/50/499716150.db2.gz CEIUFTHYVPDPAF-UHFFFAOYSA-N -1 3 354.454 3.143 20 0 FGADHM CC(C)[C@@]1(CO)CCN(C(=O)c2ccc(C(=O)c3cccc([O-])c3)cc2)C1 ZINC000378020281 499755020 /nfs/dbraw/zinc/75/50/20/499755020.db2.gz ZDRVJYVLOGDGOZ-QFIPXVFZSA-N -1 3 367.445 3.104 20 0 FGADHM C[C@@H](C(=O)NC1CCN(C(=O)c2cccc([O-])c2)CC1)c1cccc(F)c1 ZINC000378174248 499762067 /nfs/dbraw/zinc/76/20/67/499762067.db2.gz FJHRSKKXAPOMRG-CQSZACIVSA-N -1 3 370.424 3.056 20 0 FGADHM CC(=O)c1ccc(C(=O)N[C@@H](C)c2cccc(N3CCCC3=O)c2)cc1[O-] ZINC000411648234 499772784 /nfs/dbraw/zinc/77/27/84/499772784.db2.gz ZXZGAAJSDKXGRP-ZDUSSCGKSA-N -1 3 366.417 3.213 20 0 FGADHM CCCCOc1cccc([N-]S(=O)(=O)C2(CC(=O)OCC)CC2)c1 ZINC000414376482 499782926 /nfs/dbraw/zinc/78/29/26/499782926.db2.gz CPPCTTMIGAOKSF-UHFFFAOYSA-N -1 3 355.456 3.093 20 0 FGADHM CN(C)CCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1F ZINC000414384777 499784565 /nfs/dbraw/zinc/78/45/65/499784565.db2.gz CZFUTTCUQFPNHX-UHFFFAOYSA-N -1 3 372.849 3.220 20 0 FGADHM COC(=O)[C@H](C)c1ccc([N-]S(=O)(=O)c2ccc(OC)cc2C)cc1 ZINC000414397519 499786433 /nfs/dbraw/zinc/78/64/33/499786433.db2.gz PLKRTOPPBFVBST-CYBMUJFWSA-N -1 3 363.435 3.081 20 0 FGADHM COc1ccccc1N1CCC(NC(=O)c2ccc(C(C)=O)c([O-])c2)CC1 ZINC000411761825 499787617 /nfs/dbraw/zinc/78/76/17/499787617.db2.gz WIMRXMLHBBTHTB-UHFFFAOYSA-N -1 3 368.433 3.002 20 0 FGADHM Cc1cc(CN(C)C)ccc1[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000414453922 499793972 /nfs/dbraw/zinc/79/39/72/499793972.db2.gz CFAKFFFOPXWQPZ-UHFFFAOYSA-N -1 3 358.385 3.275 20 0 FGADHM CCCOc1ccc(S(=O)(=O)[N-]c2[nH]nc(C)c2Br)cc1 ZINC000414470826 499796571 /nfs/dbraw/zinc/79/65/71/499796571.db2.gz NGIOHGYUDTXIMF-UHFFFAOYSA-N -1 3 374.260 3.070 20 0 FGADHM CC(C)C(=O)Nc1ccc(S(=O)(=O)[N-][C@@H](C(C)C)C(F)(F)F)cc1 ZINC000414475237 499796869 /nfs/dbraw/zinc/79/68/69/499796869.db2.gz GEJQVCZVBXYVBE-ZDUSSCGKSA-N -1 3 366.405 3.146 20 0 FGADHM COc1ccc2c(c1)[n-]cc(C(=O)N(C)[C@@H](C)c1sc(C)nc1C)c2=O ZINC000412035009 499815202 /nfs/dbraw/zinc/81/52/02/499815202.db2.gz KGNOZXWTYQBUIV-NSHDSACASA-N -1 3 371.462 3.443 20 0 FGADHM CC(C)c1ccc(CN[C@H]2CCN([C@@H](C(=O)[O-])c3ccccc3)C2=O)cc1 ZINC000414655885 499817596 /nfs/dbraw/zinc/81/75/96/499817596.db2.gz JXLQPPRBDMOANX-VQTJNVASSA-N -1 3 366.461 3.326 20 0 FGADHM CC(C)[C@@H](C(=O)[O-])N1CC[C@H](NCc2ccc(-c3ccccc3)s2)C1=O ZINC000414660690 499818059 /nfs/dbraw/zinc/81/80/59/499818059.db2.gz PKZJNGKRKUOZKE-WMZOPIPTSA-N -1 3 372.490 3.215 20 0 FGADHM CCCc1cccc(CN[C@H]2CCN([C@H](C(=O)[O-])c3ccccc3)C2=O)c1 ZINC000414663288 499818492 /nfs/dbraw/zinc/81/84/92/499818492.db2.gz SCOYHAAJGTXJHG-PMACEKPBSA-N -1 3 366.461 3.156 20 0 FGADHM Cc1cc(C)c(CN[C@@H]2CCN([C@H](C(=O)[O-])c3ccccc3)C2=O)cc1C ZINC000414666048 499818739 /nfs/dbraw/zinc/81/87/39/499818739.db2.gz UYUAIQXBFARYEQ-UXHICEINSA-N -1 3 366.461 3.128 20 0 FGADHM CCOc1cc(C[N@H+](CC(=O)[O-])[C@H](C)CC)cc(Br)c1[O-] ZINC000414674030 499819547 /nfs/dbraw/zinc/81/95/47/499819547.db2.gz DSKLHMLLYWUUBR-SNVBAGLBSA-N -1 3 360.248 3.239 20 0 FGADHM CCOc1cc(C[N@@H+](CC(=O)[O-])[C@H](C)CC)cc(Br)c1[O-] ZINC000414674030 499819548 /nfs/dbraw/zinc/81/95/48/499819548.db2.gz DSKLHMLLYWUUBR-SNVBAGLBSA-N -1 3 360.248 3.239 20 0 FGADHM C[C@@H]1[C@@H](CO)CCCN1Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000412091167 499822352 /nfs/dbraw/zinc/82/23/52/499822352.db2.gz QNGMRBLBOYPRNW-VXGBXAGGSA-N -1 3 359.451 3.250 20 0 FGADHM C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1c[n-]c2ccncc2c1=O ZINC000412136498 499826971 /nfs/dbraw/zinc/82/69/71/499826971.db2.gz VZCVUMSDUBOFST-TZMCWYRMSA-N -1 3 351.381 3.080 20 0 FGADHM CC(=O)c1ccc(C(=O)N[C@H]2CCC[C@H]2OCc2ccccc2)cc1[O-] ZINC000412198992 499833157 /nfs/dbraw/zinc/83/31/57/499833157.db2.gz GNOPIIMEEZLQDM-AZUAARDMSA-N -1 3 353.418 3.463 20 0 FGADHM COC(=O)[C@H](C)Cc1ccc(NC(=O)c2ccc(C(C)=O)c([O-])c2)cc1 ZINC000412258962 499838879 /nfs/dbraw/zinc/83/88/79/499838879.db2.gz ZPRJYGCJXPBIAN-GFCCVEGCSA-N -1 3 355.390 3.199 20 0 FGADHM CC(C)(C)OCc1ccccc1C(=O)N=c1[nH][n-]cc1Br ZINC000412335606 499845732 /nfs/dbraw/zinc/84/57/32/499845732.db2.gz IIVXVJORXOZKQX-UHFFFAOYSA-N -1 3 352.232 3.162 20 0 FGADHM CC(=O)c1ccc(C(=O)NCc2c(F)cccc2N2CCCC2)cc1[O-] ZINC000412338473 499846196 /nfs/dbraw/zinc/84/61/96/499846196.db2.gz SMKAGKUYQMAXOP-UHFFFAOYSA-N -1 3 356.397 3.264 20 0 FGADHM CC[C@H](CNC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])CC(F)(F)F ZINC000412640497 499871591 /nfs/dbraw/zinc/87/15/91/499871591.db2.gz VHFMZUABZHCXGR-GXTWGEPZSA-N -1 3 372.387 3.092 20 0 FGADHM CC(C)(C)[C@@H]1CCC[C@H]1NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000412826945 499888148 /nfs/dbraw/zinc/88/81/48/499888148.db2.gz RGAIUOHILQYMMW-BRWVUGGUSA-N -1 3 358.482 3.328 20 0 FGADHM CCOC(=O)c1cnc([N-]C(=O)Nc2cc(C(C)C)c(O)cc2C)n1C ZINC000417131878 499982469 /nfs/dbraw/zinc/98/24/69/499982469.db2.gz CHORXOQQWGWAMK-UHFFFAOYSA-N -1 3 360.414 3.378 20 0 FGADHM CC[C@H](CS(=O)(=O)[N-]c1ccc(-c2cn3cccc(C)c3n2)cc1)OC ZINC000421223036 499995264 /nfs/dbraw/zinc/99/52/64/499995264.db2.gz DTOSBSCQVYLMKE-QGZVFWFLSA-N -1 3 373.478 3.476 20 0 FGADHM COC(=O)[C@H](CNC(=O)Nc1ccc(C)s1)Cc1ccc([O-])c(F)c1 ZINC000421245750 500000813 /nfs/dbraw/zinc/00/08/13/500000813.db2.gz YKYXQPMBKNEKDO-LBPRGKRZSA-N -1 3 366.414 3.055 20 0 FGADHM COC1(C(F)(F)F)CCN(C(=O)c2cc3c(cc2[O-])CCCC3)CC1 ZINC000416268786 500001780 /nfs/dbraw/zinc/00/17/80/500001780.db2.gz LWYGRLHSUIEIFM-UHFFFAOYSA-N -1 3 357.372 3.455 20 0 FGADHM CS(=O)(=O)[N-]c1ccc(C(=O)NCc2cc3ccccc3s2)cc1 ZINC000576487079 506170574 /nfs/dbraw/zinc/17/05/74/506170574.db2.gz OOXFYIZGMTYQEY-UHFFFAOYSA-N -1 3 360.460 3.203 20 0 FGADHM CC1(C)C[C@H](c2ccccc2)N(C(=O)CNC(=O)c2cccc([O-])c2)C1 ZINC000425123444 500025637 /nfs/dbraw/zinc/02/56/37/500025637.db2.gz SGTPVKRJIMVTLO-GOSISDBHSA-N -1 3 352.434 3.122 20 0 FGADHM COC(=O)c1c(Cl)cccc1S(=O)(=O)[N-]CCC1=CCCCC1 ZINC000416364590 500027791 /nfs/dbraw/zinc/02/77/91/500027791.db2.gz XTYCNXZCVCWZLG-UHFFFAOYSA-N -1 3 357.859 3.295 20 0 FGADHM COC(=O)c1c(Cl)cccc1S(=O)(=O)[N-][C@H]1CCCc2occc21 ZINC000416371291 500030213 /nfs/dbraw/zinc/03/02/13/500030213.db2.gz MJEZVWCCJKZCFP-LBPRGKRZSA-N -1 3 369.826 3.076 20 0 FGADHM C[C@H]([N-]S(=O)(=O)CCc1ccc(Cl)cc1)c1nc(C(C)(C)C)no1 ZINC000425200692 500042842 /nfs/dbraw/zinc/04/28/42/500042842.db2.gz KELJRBBBKYUPOS-NSHDSACASA-N -1 3 371.890 3.244 20 0 FGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]C1(C2CCC2)CCC1 ZINC000416547712 500060719 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CCN=c1[n-]c(C(=O)Nc2ccc(C)c(C(=O)N(C)C(C)C)c2)cs1 ZINC000429446547 500079558 /nfs/dbraw/zinc/07/95/58/500079558.db2.gz JSFWJZOYFUAGBV-UHFFFAOYSA-N -1 3 360.483 3.038 20 0 FGADHM Cn1cnc2[nH]c(=O)cc(C(=O)Nc3cc(Cc4ccccc4)ccc3[O-])c21 ZINC000570473321 506174739 /nfs/dbraw/zinc/17/47/39/506174739.db2.gz YQIBPKQFSQPGNT-UHFFFAOYSA-N -1 3 374.400 3.223 20 0 FGADHM C[C@H](C(=O)N=c1[n-]n(CC(F)(F)F)cc1Br)C(C)(C)C ZINC000421682992 500115089 /nfs/dbraw/zinc/11/50/89/500115089.db2.gz RERWZGWEDSIJNZ-SSDOTTSWSA-N -1 3 356.186 3.251 20 0 FGADHM COc1cc(CN[C@@H](CC(=O)[O-])c2ccc(OC)c(OC)c2)ccc1C ZINC000417551908 500105564 /nfs/dbraw/zinc/10/55/64/500105564.db2.gz BHPCQXWSPWKBHC-INIZCTEOSA-N -1 3 359.422 3.326 20 0 FGADHM COc1cccc(OC)c1CNC[C@@H](Cc1cccc(Cl)c1)C(=O)[O-] ZINC000417551358 500105647 /nfs/dbraw/zinc/10/56/47/500105647.db2.gz ZGIOVAKKPVETIY-CQSZACIVSA-N -1 3 363.841 3.390 20 0 FGADHM C[C@H](CCNCc1ccc(F)cc1I)CC(=O)[O-] ZINC000417576577 500114130 /nfs/dbraw/zinc/11/41/30/500114130.db2.gz ZSULADWDNWAKOP-SECBINFHSA-N -1 3 365.186 3.021 20 0 FGADHM C[C@@H]1CCC[C@@H](C(=O)N=c2[n-]n(CC(F)(F)F)cc2Br)C1 ZINC000421684734 500116046 /nfs/dbraw/zinc/11/60/46/500116046.db2.gz ZAYVKUBSHNAOIA-RKDXNWHRSA-N -1 3 368.197 3.395 20 0 FGADHM CCCN(Cc1ccc(F)cc1)C(=O)N=c1cc(OC(F)F)n(C)[n-]1 ZINC000429647640 500117465 /nfs/dbraw/zinc/11/74/65/500117465.db2.gz FDKHIZLFELQQQC-UHFFFAOYSA-N -1 3 356.348 3.027 20 0 FGADHM C[C@H](NC(=O)N=c1cc(OC(F)F)n(C)[n-]1)c1ccc(F)cc1Cl ZINC000429643516 500117537 /nfs/dbraw/zinc/11/75/37/500117537.db2.gz DTHOHKJZGAUION-ZETCQYMHSA-N -1 3 362.739 3.119 20 0 FGADHM CC[C@@H](CNC(=O)c1c[n-]c2cc(F)c(OC)cc2c1=O)CC(F)(F)F ZINC000414007472 500123349 /nfs/dbraw/zinc/12/33/49/500123349.db2.gz QDIUXQYAIYOYLO-SECBINFHSA-N -1 3 374.334 3.384 20 0 FGADHM CC[C@H](CNC(=O)c1c[n-]c2cc(F)c(OC)cc2c1=O)CC(F)(F)F ZINC000414007482 500123464 /nfs/dbraw/zinc/12/34/64/500123464.db2.gz QDIUXQYAIYOYLO-VIFPVBQESA-N -1 3 374.334 3.384 20 0 FGADHM O=C([O-])COCCNCc1ccc(-c2ccc(Br)cc2)s1 ZINC000417620759 500127902 /nfs/dbraw/zinc/12/79/02/500127902.db2.gz JXIVQGJFNUNMOH-UHFFFAOYSA-N -1 3 370.268 3.368 20 0 FGADHM CC(C)(C)c1nn(Cc2ccccc2)cc1CN[C@@H]1C=C[C@@H](C(=O)[O-])C1 ZINC000417625600 500128286 /nfs/dbraw/zinc/12/82/86/500128286.db2.gz RTUBGYGPOKCSLL-SJLPKXTDSA-N -1 3 353.466 3.348 20 0 FGADHM COc1cc2c(c(CN[C@H](CSCC=C(C)C)C(=O)[O-])c1)O[C@@H](C)C2 ZINC000417628316 500129104 /nfs/dbraw/zinc/12/91/04/500129104.db2.gz QUVALFFQHKSFNB-SUMWQHHRSA-N -1 3 365.495 3.261 20 0 FGADHM CO[C@H](CNCc1cn(-c2ccccc2)nc1-c1ccc(C)o1)CC(=O)[O-] ZINC000417639819 500133772 /nfs/dbraw/zinc/13/37/72/500133772.db2.gz UMMQKWZNCXOJGJ-KRWDZBQOSA-N -1 3 369.421 3.020 20 0 FGADHM CO[C@H](CNCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)CC(=O)[O-] ZINC000417640053 500134263 /nfs/dbraw/zinc/13/42/63/500134263.db2.gz VRUZTBKPJOWBEE-NSHDSACASA-N -1 3 359.266 3.304 20 0 FGADHM O=C([O-])[C@@H]1CCC[C@@H]1CNCc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000417649143 500137299 /nfs/dbraw/zinc/13/72/99/500137299.db2.gz QMWZAMVCNCGDEM-TZMCWYRMSA-N -1 3 360.435 3.129 20 0 FGADHM CCC(C)(C)CNC(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000429763082 500138983 /nfs/dbraw/zinc/13/89/83/500138983.db2.gz XTSKCPBIXKLCGK-UHFFFAOYSA-N -1 3 373.494 3.460 20 0 FGADHM COc1cccc(C[C@@H](CNCc2nc3c(s2)C[C@H](C)CC3)C(=O)[O-])c1 ZINC000417657165 500139717 /nfs/dbraw/zinc/13/97/17/500139717.db2.gz XVLZNSKOYUQWFW-HIFRSBDPSA-N -1 3 374.506 3.310 20 0 FGADHM O=C([O-])[C@]1(NCc2cnc([C@H]3CCCO3)s2)CCc2ccccc2C1 ZINC000582290451 506178756 /nfs/dbraw/zinc/17/87/56/506178756.db2.gz RVUIZPGDQSMULT-APWZRJJASA-N -1 3 358.463 3.097 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Cl)C(=O)OC(C)(C)C ZINC000429857076 500156922 /nfs/dbraw/zinc/15/69/22/500156922.db2.gz JEECNICEVDJGLJ-QMMMGPOBSA-N -1 3 354.255 3.002 20 0 FGADHM COCCCCC[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000429867934 500159720 /nfs/dbraw/zinc/15/97/20/500159720.db2.gz OACVQWYOVFMCRQ-UHFFFAOYSA-N -1 3 370.696 3.198 20 0 FGADHM O=S(=O)([N-]C[C@@H](O)CCc1ccccc1)c1ccc(Cl)cc1Cl ZINC000429875511 500160386 /nfs/dbraw/zinc/16/03/86/500160386.db2.gz FFRBFXPNCUJTHK-AWEZNQCLSA-N -1 3 374.289 3.265 20 0 FGADHM C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)CN1C(=O)Cc1ccc([O-])c(F)c1 ZINC000421920976 500176168 /nfs/dbraw/zinc/17/61/68/500176168.db2.gz KLTLCZPKRVUYFG-TZMCWYRMSA-N -1 3 351.418 3.043 20 0 FGADHM O=S(=O)(CCOCC1CC1)[N-]c1cccc(Cl)c1Br ZINC000579462469 506180799 /nfs/dbraw/zinc/18/07/99/506180799.db2.gz ARTKTGRKSKSHTB-UHFFFAOYSA-N -1 3 368.680 3.271 20 0 FGADHM CCCn1c(=O)[n-]c(=O)c2c(C(=O)NCC(C)(C)CC)cc(C(C)C)nc21 ZINC000430112117 500194410 /nfs/dbraw/zinc/19/44/10/500194410.db2.gz WHIMATRVWRHWDO-UHFFFAOYSA-N -1 3 374.485 3.197 20 0 FGADHM CN(CCSc1n[n-]c(=NCc2ccco2)s1)Cc1ccccc1 ZINC000430142349 500199068 /nfs/dbraw/zinc/19/90/68/500199068.db2.gz UNZOOVJOCKLSRL-UHFFFAOYSA-N -1 3 360.508 3.389 20 0 FGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)c1ccc(Cl)s1 ZINC000430145744 500199435 /nfs/dbraw/zinc/19/94/35/500199435.db2.gz FIVNJYXCNSFQSW-UHFFFAOYSA-N -1 3 356.632 3.486 20 0 FGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)c1cccc(Cl)c1 ZINC000430144774 500199630 /nfs/dbraw/zinc/19/96/30/500199630.db2.gz CPKPEPBPSOYNRJ-UHFFFAOYSA-N -1 3 350.603 3.424 20 0 FGADHM COC(=O)[C@H](CNC(=O)c1c(C)cc(C)cc1C)Cc1ccc([O-])c(F)c1 ZINC000422042901 500204386 /nfs/dbraw/zinc/20/43/86/500204386.db2.gz PXZGITVINLGZEU-INIZCTEOSA-N -1 3 373.424 3.218 20 0 FGADHM COC(=O)c1ccc(-c2nc(Cc3coc(-c4ccc(F)cc4)n3)no2)[n-]1 ZINC000426417704 500271347 /nfs/dbraw/zinc/27/13/47/500271347.db2.gz SZDFQBNTQFFHLY-UHFFFAOYSA-N -1 3 368.324 3.236 20 0 FGADHM COCCCCS(=O)(=O)[N-]c1ccc(C(=O)OC(C)(C)C)c(C)c1 ZINC000576558405 506186425 /nfs/dbraw/zinc/18/64/25/506186425.db2.gz HFBDQUPROBQXEX-UHFFFAOYSA-N -1 3 357.472 3.119 20 0 FGADHM COC[C@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)c1cccc(Cl)c1 ZINC000426498305 500280494 /nfs/dbraw/zinc/28/04/94/500280494.db2.gz NHJSMCYHOHDUKF-KRWDZBQOSA-N -1 3 356.809 3.299 20 0 FGADHM C[C@@H]1C[C@]2(CCO1)CN(Cc1cc([O-])ccc1Br)C[C@H](C)O2 ZINC000430781931 500284664 /nfs/dbraw/zinc/28/46/64/500284664.db2.gz VOCZOLZTGRGCGG-IIYDPXPESA-N -1 3 370.287 3.313 20 0 FGADHM COc1ccccc1C[C@@H](CNCc1cc(F)c(F)c(F)c1)C(=O)[O-] ZINC000426637035 500298291 /nfs/dbraw/zinc/29/82/91/500298291.db2.gz JUYANLMEYNLASE-ZDUSSCGKSA-N -1 3 353.340 3.146 20 0 FGADHM O=C([O-])[C@H](CNCc1ccccc1OCC1CC1)Oc1ccc(F)cc1 ZINC000426647992 500300867 /nfs/dbraw/zinc/30/08/67/500300867.db2.gz PMVILBFKVNCENH-IBGZPJMESA-N -1 3 359.397 3.236 20 0 FGADHM COc1cc(OC)c(OC)cc1CNC[C@H](Cc1cccc(C)c1)C(=O)[O-] ZINC000426654493 500302264 /nfs/dbraw/zinc/30/22/64/500302264.db2.gz LVXGHUMPKAVZLX-KRWDZBQOSA-N -1 3 373.449 3.054 20 0 FGADHM O=C([O-])[C@H](Cc1ccccc1)NCc1ccc(F)cc1Br ZINC000426682594 500305713 /nfs/dbraw/zinc/30/57/13/500305713.db2.gz JYKCZUWQDKRMSW-HNNXBMFYSA-N -1 3 352.203 3.374 20 0 FGADHM Cc1cnn(C[C@H](NCc2ccc(-c3ccccc3)cc2F)C(=O)[O-])c1 ZINC000426724818 500311827 /nfs/dbraw/zinc/31/18/27/500311827.db2.gz WBWCIBUKJPOEFJ-IBGZPJMESA-N -1 3 353.397 3.241 20 0 FGADHM COc1ccc([C@@H](CCC(=O)[O-])NCc2cccc3c2OCCO3)cc1 ZINC000426733808 500312975 /nfs/dbraw/zinc/31/29/75/500312975.db2.gz NZPRGSPEWYKGFH-QGZVFWFLSA-N -1 3 357.406 3.162 20 0 FGADHM O=C([O-])[C@@H](CN1CCCCC1)NCc1cc(Cl)cc(C(F)(F)F)c1 ZINC000426746648 500314854 /nfs/dbraw/zinc/31/48/54/500314854.db2.gz ZCQMAXRIBONZRX-CQSZACIVSA-N -1 3 364.795 3.388 20 0 FGADHM O=C([O-])[C@H](Cc1ccco1)NCc1ccc(Cl)c(Br)c1 ZINC000426824400 500325322 /nfs/dbraw/zinc/32/53/22/500325322.db2.gz MQMVVOWDXJXNAQ-ZDUSSCGKSA-N -1 3 358.619 3.481 20 0 FGADHM COc1ccc([C@H](NCc2cc(OC)c(OC)cc2C)C(=O)[O-])cc1F ZINC000426828278 500325980 /nfs/dbraw/zinc/32/59/80/500325980.db2.gz KQLDEKQPSVRUJP-SFHVURJKSA-N -1 3 363.385 3.075 20 0 FGADHM CCOc1cc([N-]S(=O)(=O)CC2(C(=O)OC)CCCCC2)ccc1C ZINC000427201511 500366126 /nfs/dbraw/zinc/36/61/26/500366126.db2.gz AIYIQXHCYJQUCV-UHFFFAOYSA-N -1 3 369.483 3.259 20 0 FGADHM CC(C)[C@H](NC(=O)CNC(=O)c1cccc([O-])c1)c1ccccc1Cl ZINC000427455301 500395188 /nfs/dbraw/zinc/39/51/88/500395188.db2.gz IRCQAXFEXFPFID-SFHVURJKSA-N -1 3 360.841 3.289 20 0 FGADHM CCOC(=O)c1ccccc1S(=O)(=O)[N-][C@@H](c1ccccc1)C(F)F ZINC000431637113 500401648 /nfs/dbraw/zinc/40/16/48/500401648.db2.gz ALVQOIRDUQLWMN-HNNXBMFYSA-N -1 3 369.389 3.148 20 0 FGADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)[C@H](CC(C)C)OC)[nH][n-]1 ZINC000419881566 500405610 /nfs/dbraw/zinc/40/56/10/500405610.db2.gz UOGNCRBRXVIPOG-HNNXBMFYSA-N -1 3 351.834 3.160 20 0 FGADHM COC(=O)c1cc(C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)c[n-]1 ZINC000431681504 500407697 /nfs/dbraw/zinc/40/76/97/500407697.db2.gz MTCSJECGEOQHCU-UHFFFAOYSA-N -1 3 356.378 3.485 20 0 FGADHM O=C(Nc1cc(Cl)ccc1[O-])c1cnn(CCO)c1-c1ccccc1 ZINC000431736741 500417303 /nfs/dbraw/zinc/41/73/03/500417303.db2.gz OWUQTADCZRTVLX-UHFFFAOYSA-N -1 3 357.797 3.154 20 0 FGADHM CN(C)[C@H](CNC(=O)c1cc([O-])ccc1Cl)c1c(F)cccc1F ZINC000431797622 500426161 /nfs/dbraw/zinc/42/61/61/500426161.db2.gz NXVNEWFXBJQPFW-OAHLLOKOSA-N -1 3 354.784 3.357 20 0 FGADHM O=C(NCCCO[C@H]1CCCc2ccccc21)c1cc(F)cc2nn[n-]c21 ZINC000431801720 500427017 /nfs/dbraw/zinc/42/70/17/500427017.db2.gz PLEGDBADJVNDKP-SFHVURJKSA-N -1 3 368.412 3.311 20 0 FGADHM O=C(NCCCO[C@H]1CCCc2ccccc21)c1cc(F)cc2[n-]nnc21 ZINC000431801720 500427021 /nfs/dbraw/zinc/42/70/21/500427021.db2.gz PLEGDBADJVNDKP-SFHVURJKSA-N -1 3 368.412 3.311 20 0 FGADHM O=C(NCCCO[C@H]1CCCc2ccccc21)c1cc(F)cc2n[n-]nc21 ZINC000431801720 500427023 /nfs/dbraw/zinc/42/70/23/500427023.db2.gz PLEGDBADJVNDKP-SFHVURJKSA-N -1 3 368.412 3.311 20 0 FGADHM COC(=O)c1cc(S(=O)(=O)[N-]CCc2cccc3ccccc32)oc1C ZINC000431834125 500431147 /nfs/dbraw/zinc/43/11/47/500431147.db2.gz LRWZVGFWKNIMDG-UHFFFAOYSA-N -1 3 373.430 3.049 20 0 FGADHM C/C=C/C[C@@H](NC(=O)c1c[n-]nc1-c1ccc(Cl)s1)C(=O)OCC ZINC000427833137 500438255 /nfs/dbraw/zinc/43/82/55/500438255.db2.gz FZOLMONDEDHAIE-JOAKQRRISA-N -1 3 367.858 3.419 20 0 FGADHM C/C=C\C[C@H](NC(=O)c1c[n-]nc1-c1ccc(Cl)s1)C(=O)OCC ZINC000427833146 500438453 /nfs/dbraw/zinc/43/84/53/500438453.db2.gz FZOLMONDEDHAIE-MZBZXASESA-N -1 3 367.858 3.419 20 0 FGADHM O=c1[n-]c(=O)n(C2CC2)c2ncc(-c3nc(C4CCCCCC4)no3)cc12 ZINC000573445631 506195579 /nfs/dbraw/zinc/19/55/79/506195579.db2.gz OBURZRLUQNBLNK-UHFFFAOYSA-N -1 3 367.409 3.320 20 0 FGADHM NC(=O)N1CCCc2ccc(NC(=O)c3cn[n-]c3-c3ccsc3)cc21 ZINC000427962557 500451465 /nfs/dbraw/zinc/45/14/65/500451465.db2.gz UXKUQDFHWZGGOG-UHFFFAOYSA-N -1 3 367.434 3.222 20 0 FGADHM NC(=O)N1CCCc2ccc(NC(=O)c3c[n-]nc3-c3ccsc3)cc21 ZINC000427962557 500451466 /nfs/dbraw/zinc/45/14/66/500451466.db2.gz UXKUQDFHWZGGOG-UHFFFAOYSA-N -1 3 367.434 3.222 20 0 FGADHM Cc1c(NC(=O)c2cn[n-]c2-c2ccsc2)cccc1N1CCNC1=O ZINC000427975610 500453392 /nfs/dbraw/zinc/45/33/92/500453392.db2.gz UNKSTBSOOBEPLL-UHFFFAOYSA-N -1 3 367.434 3.229 20 0 FGADHM Cc1c(NC(=O)c2c[n-]nc2-c2ccsc2)cccc1N1CCNC1=O ZINC000427975610 500453393 /nfs/dbraw/zinc/45/33/93/500453393.db2.gz UNKSTBSOOBEPLL-UHFFFAOYSA-N -1 3 367.434 3.229 20 0 FGADHM COc1cc(Br)c(CN2CCC[C@H](C)[C@H]2C(=O)[O-])cc1OC ZINC000424269396 500479086 /nfs/dbraw/zinc/47/90/86/500479086.db2.gz PGGAIGZTCUYYHX-BONVTDFDSA-N -1 3 372.259 3.151 20 0 FGADHM COc1cc(C(=O)NCCCOc2cccc(C)c2C)cc(OC)c1[O-] ZINC000428200696 500480557 /nfs/dbraw/zinc/48/05/57/500480557.db2.gz CQPIFFXCVQKWEB-UHFFFAOYSA-N -1 3 359.422 3.225 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F)[C@@H]1CCCOC1 ZINC000420687871 500488164 /nfs/dbraw/zinc/48/81/64/500488164.db2.gz LQJDJGYFNVWGHP-VHSXEESVSA-N -1 3 369.817 3.035 20 0 FGADHM CS[C@@H](C[N-]S(=O)(=O)c1cc(F)ccc1OC(F)F)C(C)(C)C ZINC000420683417 500488192 /nfs/dbraw/zinc/48/81/92/500488192.db2.gz BWWKTTOHPCAKCB-LBPRGKRZSA-N -1 3 371.446 3.483 20 0 FGADHM O=S(=O)([N-]CC1(C(F)F)CC1)c1cc(Cl)ccc1OC(F)F ZINC000420727668 500492466 /nfs/dbraw/zinc/49/24/66/500492466.db2.gz PGJKYASCKYNWPX-UHFFFAOYSA-N -1 3 361.744 3.265 20 0 FGADHM CC[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)F)CCO1 ZINC000420727135 500492499 /nfs/dbraw/zinc/49/24/99/500492499.db2.gz NZMMMNXTAVFQTA-QWRGUYRKSA-N -1 3 369.817 3.177 20 0 FGADHM 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QOZRQZRUCCMVJF-AWEZNQCLSA-N -1 3 360.545 3.269 20 0 FGADHM CCCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)c2cc3c(cc2[O-])CCCC3)C1 ZINC000436547813 501153336 /nfs/dbraw/zinc/15/33/36/501153336.db2.gz BAKXFLUMSVYQOE-MAUKXSAKSA-N -1 3 372.509 3.428 20 0 FGADHM Cc1ccc(C(=O)Nc2cccc(C(=O)Nc3ccncc3)c2)c([O-])c1C ZINC000436549529 501154170 /nfs/dbraw/zinc/15/41/70/501154170.db2.gz XIMVNWNFQNZGTP-UHFFFAOYSA-N -1 3 361.401 3.331 20 0 FGADHM COc1cc(C)cc(C(=O)Nc2ccc(OCc3nc(C)no3)cc2)c1[O-] ZINC000436550124 501154499 /nfs/dbraw/zinc/15/44/99/501154499.db2.gz WHUQQLMADKWUBW-UHFFFAOYSA-N -1 3 369.377 3.232 20 0 FGADHM Cc1ccc(C(=O)NCCc2nc(-c3ccc(Cl)cc3)no2)c([O-])c1 ZINC000436553042 501155160 /nfs/dbraw/zinc/15/51/60/501155160.db2.gz FQBLWSQITXDQLL-UHFFFAOYSA-N -1 3 357.797 3.377 20 0 FGADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCC(F)(F)C1 ZINC000436564309 501157655 /nfs/dbraw/zinc/15/76/55/501157655.db2.gz RPLJREFRZUTHEB-QGZVFWFLSA-N -1 3 374.387 3.121 20 0 FGADHM Cc1ccc(C(=O)NCCC2CCN(CC(F)(F)F)CC2)c([O-])c1C ZINC000436574490 501160459 /nfs/dbraw/zinc/16/04/59/501160459.db2.gz MCKVFNICENLUFT-UHFFFAOYSA-N -1 3 358.404 3.403 20 0 FGADHM CCOC(=O)c1cnc(C)c([N-]S(=O)(=O)Cc2ccccc2Cl)c1 ZINC000446759245 501162347 /nfs/dbraw/zinc/16/23/47/501162347.db2.gz FNDFAMWBXOUPEM-UHFFFAOYSA-N -1 3 368.842 3.162 20 0 FGADHM Cc1cccc2c(=O)c(C(=O)NC[C@@H]3CCN(c4ccccc4)C3)c[n-]c12 ZINC000607719081 506237622 /nfs/dbraw/zinc/23/76/22/506237622.db2.gz UAWBRMIAJABPDI-INIZCTEOSA-N -1 3 361.445 3.093 20 0 FGADHM CC(C)c1ccc(C(=O)N(C)C2CCN(c3cccnn3)CC2)c([O-])c1 ZINC000436587503 501163857 /nfs/dbraw/zinc/16/38/57/501163857.db2.gz WQRRRFSKTOZTLG-UHFFFAOYSA-N -1 3 354.454 3.047 20 0 FGADHM CC1(C)Cc2ccc(C(=O)N[C@H]3CCCC[C@H]3n3cccn3)c([O-])c2O1 ZINC000436590382 501164778 /nfs/dbraw/zinc/16/47/78/501164778.db2.gz YNZRWSSUTBKXDH-JKSUJKDBSA-N -1 3 355.438 3.216 20 0 FGADHM Cc1ccc(CNC(=O)c2cc(C)ccc2[O-])c(OC[C@H]2CCOC2)c1 ZINC000436591313 501164832 /nfs/dbraw/zinc/16/48/32/501164832.db2.gz WQZRZPQZCDESJL-INIZCTEOSA-N -1 3 355.434 3.354 20 0 FGADHM Cc1ccc(C(=O)N2CCOC[C@@H]2CC(=O)c2ccccc2)c([O-])c1C ZINC000436590031 501165034 /nfs/dbraw/zinc/16/50/34/501165034.db2.gz XZIQUCXVTPIVOQ-KRWDZBQOSA-N -1 3 353.418 3.123 20 0 FGADHM CSC1(CNC(=O)c2c([O-])cc(Cl)cc2Cl)CCN(C)CC1 ZINC000436599715 501166925 /nfs/dbraw/zinc/16/69/25/501166925.db2.gz YRRDJPRSKUJBSY-UHFFFAOYSA-N -1 3 363.310 3.256 20 0 FGADHM CCN=c1[n-]c(C(=O)NCc2cccc(COCC(F)(F)F)c2)cs1 ZINC000441738659 501167815 /nfs/dbraw/zinc/16/78/15/501167815.db2.gz JNOXMTKHCWEBMP-UHFFFAOYSA-N -1 3 373.400 3.006 20 0 FGADHM Cc1ccc(C(=O)N[C@H]2C[C@H](C)S(=O)(=O)c3sccc32)c([O-])c1C ZINC000436617126 501171164 /nfs/dbraw/zinc/17/11/64/501171164.db2.gz HFLCFQBIIDCSBO-HZMBPMFUSA-N -1 3 365.476 3.108 20 0 FGADHM COC(=O)[C@@H](C[C@H]1CCCc2ccccc21)NC(=O)c1ccc([O-])c(C)c1 ZINC000436628993 501174015 /nfs/dbraw/zinc/17/40/15/501174015.db2.gz HXTDMXRTWVLMHO-VQIMIIECSA-N -1 3 367.445 3.482 20 0 FGADHM C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436632901 501174826 /nfs/dbraw/zinc/17/48/26/501174826.db2.gz HADHXZOQLMBXOP-WBVHZDCISA-N -1 3 373.497 3.074 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N(Cc2ccccc2)C(C)C)c([O-])c1 ZINC000436637059 501175753 /nfs/dbraw/zinc/17/57/53/501175753.db2.gz UWBNSACJPFDQGV-UHFFFAOYSA-N -1 3 354.450 3.258 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(NCC[C@@H](OC)C(CC)CC)nc2)n1 ZINC000446884891 501177668 /nfs/dbraw/zinc/17/76/68/501177668.db2.gz SDLWBEDSHVKIDN-QGZVFWFLSA-N -1 3 358.486 3.482 20 0 FGADHM O=C(NCCCc1ccc(Br)cc1F)c1ccc(O)cc1[O-] ZINC000436670384 501184202 /nfs/dbraw/zinc/18/42/02/501184202.db2.gz QPHXOEWEHKWLOB-UHFFFAOYSA-N -1 3 368.202 3.362 20 0 FGADHM CN(CCOc1ccc(F)cc1)C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436676751 501186109 /nfs/dbraw/zinc/18/61/09/501186109.db2.gz SSIDNQMZTPFTEM-UHFFFAOYSA-N -1 3 359.397 3.396 20 0 FGADHM C[C@H](NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2)c1ccc2c(c1)OCO2 ZINC000436681334 501186926 /nfs/dbraw/zinc/18/69/26/501186926.db2.gz MYKNOBCOWLKOIC-NSHDSACASA-N -1 3 355.390 3.325 20 0 FGADHM COc1cccc(C(=O)NCc2cc(F)c(F)cc2Br)c1[O-] ZINC000436684697 501187836 /nfs/dbraw/zinc/18/78/36/501187836.db2.gz DZBSCXOQFZJVBV-UHFFFAOYSA-N -1 3 372.165 3.372 20 0 FGADHM CC1(C)Cc2cccc(CN3CCN(C(=O)c4ccc([O-])cc4)CC3)c2O1 ZINC000436696703 501190611 /nfs/dbraw/zinc/19/06/11/501190611.db2.gz QHSXWCVMWQOZRQ-UHFFFAOYSA-N -1 3 366.461 3.064 20 0 FGADHM CCOC(=O)[C@@H](CNC(=O)c1ccc([O-])c(CC)c1)Cc1ccccc1 ZINC000436698487 501190944 /nfs/dbraw/zinc/19/09/44/501190944.db2.gz OHOSZOMDJVKZOC-GOSISDBHSA-N -1 3 355.434 3.106 20 0 FGADHM O=C(CCNC(=O)c1ccc(O)cc1[O-])Nc1cc(Cl)cc(Cl)c1 ZINC000436709127 501193770 /nfs/dbraw/zinc/19/37/70/501193770.db2.gz LXEPMIQGVKVSGN-UHFFFAOYSA-N -1 3 369.204 3.163 20 0 FGADHM COc1ccccc1CN(C[C@H]1CCCO1)C(=O)c1cccc(OC)c1[O-] ZINC000436711996 501193945 /nfs/dbraw/zinc/19/39/45/501193945.db2.gz DESJMJJFXIDTPD-MRXNPFEDSA-N -1 3 371.433 3.231 20 0 FGADHM C[C@H]1[C@H](C)N(C(=O)c2cc(OCc3ccccc3)ccc2[O-])CCN1C ZINC000436711706 501194023 /nfs/dbraw/zinc/19/40/23/501194023.db2.gz KGMFYVYHGUBLEJ-HOTGVXAUSA-N -1 3 354.450 3.136 20 0 FGADHM CCc1ccc(C(=O)N(Cc2ccc(-n3cncn3)cc2)C2CC2)c([O-])c1 ZINC000436716073 501195575 /nfs/dbraw/zinc/19/55/75/501195575.db2.gz OCHGGVIRGCUULL-UHFFFAOYSA-N -1 3 362.433 3.340 20 0 FGADHM COc1cccc2sc(NC(=O)c3cc(OC)c([O-])c(OC)c3)nc21 ZINC000436731715 501199671 /nfs/dbraw/zinc/19/96/71/501199671.db2.gz AILYETOBRJZJQC-UHFFFAOYSA-N -1 3 360.391 3.280 20 0 FGADHM CCS(=O)(=O)c1ccc([C@@H](C)NC(=O)c2ccc(C)c(C)c2[O-])cc1 ZINC000436737238 501200667 /nfs/dbraw/zinc/20/06/67/501200667.db2.gz PSWOENNRDYMPOJ-CQSZACIVSA-N -1 3 361.463 3.294 20 0 FGADHM CCN(CC)CC(=O)Nc1cccc(NC(=O)c2c([O-])cccc2F)c1 ZINC000436736233 501200699 /nfs/dbraw/zinc/20/06/99/501200699.db2.gz FXLPTBXRHZBVBS-UHFFFAOYSA-N -1 3 359.401 3.064 20 0 FGADHM COc1ccc(C(=O)NC[C@H](c2ccc(OC(C)C)cc2)N(C)C)c([O-])c1 ZINC000436744612 501202985 /nfs/dbraw/zinc/20/29/85/501202985.db2.gz NUAGVUVCBNVWAP-LJQANCHMSA-N -1 3 372.465 3.221 20 0 FGADHM [O-]c1ccc(-c2noc(-c3cn(-c4cccc(Cl)c4F)nn3)n2)cc1 ZINC000436746483 501203184 /nfs/dbraw/zinc/20/31/84/501203184.db2.gz HLEYNAJEMJFFNX-UHFFFAOYSA-N -1 3 357.732 3.482 20 0 FGADHM CC(C)(C)Oc1ccccc1NC(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000436748826 501204012 /nfs/dbraw/zinc/20/40/12/501204012.db2.gz HMUDYIDFNUPMAP-UHFFFAOYSA-N -1 3 371.437 3.121 20 0 FGADHM COc1ccc(C(=O)N2CCC[C@@H]2c2cc(OC)ccc2OC)c([O-])c1 ZINC000436754076 501204759 /nfs/dbraw/zinc/20/47/59/501204759.db2.gz GZLHYCGAPKRELG-QGZVFWFLSA-N -1 3 357.406 3.395 20 0 FGADHM COC(=O)c1ccc(CN(C)C(=O)c2cc3c(cc2[O-])CCCC3)cc1 ZINC000436757985 501206085 /nfs/dbraw/zinc/20/60/85/501206085.db2.gz KACVWNCBSZTXJC-UHFFFAOYSA-N -1 3 353.418 3.330 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H]([C@H](CO)C3CC3)C3CC3)nc2)n1 ZINC000450782619 501207907 /nfs/dbraw/zinc/20/79/07/501207907.db2.gz VKLKWGLNJWCJCH-VQIMIIECSA-N -1 3 354.454 3.016 20 0 FGADHM COc1ccc(OC)c(CNC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)c1 ZINC000436779280 501209876 /nfs/dbraw/zinc/20/98/76/501209876.db2.gz VADXLRHKCQORTA-UHFFFAOYSA-N -1 3 357.406 3.053 20 0 FGADHM C[C@@]1(C[N-]S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)CCCO1 ZINC000447153477 501209877 /nfs/dbraw/zinc/20/98/77/501209877.db2.gz PEGAUEKZRWWVPA-HNNXBMFYSA-N -1 3 372.899 3.311 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](Cc2ccc(F)cc2)C(C)C)c1 ZINC000436787491 501211540 /nfs/dbraw/zinc/21/15/40/501211540.db2.gz PHUUZSJUZBJHEA-SFHVURJKSA-N -1 3 358.413 3.487 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)NC[C@H](C)Oc2cccc(Cl)c2)c1 ZINC000436790040 501211958 /nfs/dbraw/zinc/21/19/58/501211958.db2.gz MVFJJDUMOPBWOS-NSHDSACASA-N -1 3 362.813 3.201 20 0 FGADHM COC(=O)c1cc(C)nc2nc(SC[C@H]3CCC(F)(F)C3)[n-]c(=O)c12 ZINC000450819393 501213815 /nfs/dbraw/zinc/21/38/15/501213815.db2.gz KSTHSYVWLSXQIX-VIFPVBQESA-N -1 3 369.393 3.353 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)NCc2ccc(C3CC3)cc2F)c([O-])c1 ZINC000436809489 501215013 /nfs/dbraw/zinc/21/50/13/501215013.db2.gz TZEYYOIDSZYLGQ-UHFFFAOYSA-N -1 3 370.424 3.153 20 0 FGADHM O=C(NCc1cc2cc(Br)ccc2[nH]1)c1c([O-])cccc1O ZINC000436828479 501218095 /nfs/dbraw/zinc/21/80/95/501218095.db2.gz YNIAZIJJKUPWAP-UHFFFAOYSA-N -1 3 361.195 3.272 20 0 FGADHM CCc1ccc(C(=O)N[C@H](c2ccn(C)n2)c2ccc(F)cc2)c([O-])c1 ZINC000436839627 501219572 /nfs/dbraw/zinc/21/95/72/501219572.db2.gz ONCUFTFNJMPCGI-IBGZPJMESA-N -1 3 353.397 3.347 20 0 FGADHM O=C(c1ccccc1[O-])N1CCN(CCCOc2cccc(Cl)c2)CC1 ZINC000436844297 501220054 /nfs/dbraw/zinc/22/00/54/501220054.db2.gz MUQDDVVBHNDBOV-UHFFFAOYSA-N -1 3 374.868 3.273 20 0 FGADHM COc1cccc(C(=O)NC[C@@H](OC(C)C)c2ccccc2OC)c1[O-] ZINC000436861750 501222829 /nfs/dbraw/zinc/22/28/29/501222829.db2.gz FOCKPYBBKKDLCX-GOSISDBHSA-N -1 3 359.422 3.306 20 0 FGADHM CC[C@@H](NC(=O)c1ccccc1)c1noc(-c2cc(OC)ccc2[O-])n1 ZINC000436883272 501226977 /nfs/dbraw/zinc/22/69/77/501226977.db2.gz CSGVTPADQPGISY-OAHLLOKOSA-N -1 3 353.378 3.332 20 0 FGADHM COc1ccc([O-])c(-c2nc(-c3cc(OC)c(OC)c(OC)c3)no2)c1 ZINC000436889495 501228047 /nfs/dbraw/zinc/22/80/47/501228047.db2.gz CKSKFPSMNNTCQO-UHFFFAOYSA-N -1 3 358.350 3.144 20 0 FGADHM CCc1cccc(CC)c1NC(=O)[C@H](C)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000450910575 501228203 /nfs/dbraw/zinc/22/82/03/501228203.db2.gz AVLHBLPWQPBQCR-ZDUSSCGKSA-N -1 3 372.469 3.107 20 0 FGADHM O=c1[n-]nc(C2CCN(CCc3cccc(OC(F)(F)F)c3)CC2)o1 ZINC000450918206 501229417 /nfs/dbraw/zinc/22/94/17/501229417.db2.gz HFAQYZVEAKHALE-UHFFFAOYSA-N -1 3 357.332 3.096 20 0 FGADHM COCCOc1cccc(-c2noc(-c3cc(C)cc(OC)c3[O-])n2)c1 ZINC000436913736 501232177 /nfs/dbraw/zinc/23/21/77/501232177.db2.gz JRYZARVOWOKOSW-UHFFFAOYSA-N -1 3 356.378 3.451 20 0 FGADHM Cc1ccc(F)cc1NC(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436922213 501233138 /nfs/dbraw/zinc/23/31/38/501233138.db2.gz XBYCETKPBDERHY-UHFFFAOYSA-N -1 3 371.412 3.266 20 0 FGADHM CC(=O)c1[n-]c(=NC[C@H](c2cccs2)N2CCO[C@@H](C)C2)sc1C ZINC000450322411 501233586 /nfs/dbraw/zinc/23/35/86/501233586.db2.gz YXKPJNROONZKNU-SMDDNHRTSA-N -1 3 365.524 3.011 20 0 FGADHM CO[C@H](CS(=O)(=O)[N-]c1cc2c(cc1Cl)OCO2)c1ccccc1 ZINC000450966147 501235669 /nfs/dbraw/zinc/23/56/69/501235669.db2.gz GLKQGPKXVXKASE-MRXNPFEDSA-N -1 3 369.826 3.198 20 0 FGADHM CN1CCC(Oc2ccc(Cl)cc2[N-]S(=O)(=O)c2ccoc2)CC1 ZINC000451115711 501246730 /nfs/dbraw/zinc/24/67/30/501246730.db2.gz OZSCQUAEAKXCLP-UHFFFAOYSA-N -1 3 370.858 3.207 20 0 FGADHM CC[C@H](CC(F)(F)F)C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000451125462 501247054 /nfs/dbraw/zinc/24/70/54/501247054.db2.gz MLGTWUPKKCRPTJ-MRVPVSSYSA-N -1 3 364.165 3.436 20 0 FGADHM COc1ccc(C(C)(C)C[N-]S(=O)(=O)c2cc(C)cs2)cc1OC ZINC000451171482 501249747 /nfs/dbraw/zinc/24/97/47/501249747.db2.gz NRQXSBCGZNMDTD-UHFFFAOYSA-N -1 3 369.508 3.330 20 0 FGADHM Cc1csc(S(=O)(=O)[N-][C@H]2CCN(Cc3ccccc3)C[C@H]2C)c1 ZINC000451288536 501257705 /nfs/dbraw/zinc/25/77/05/501257705.db2.gz TZYIZKOUINLGQH-WBVHZDCISA-N -1 3 364.536 3.245 20 0 FGADHM CO[C@@H](C[N-]S(=O)(=O)C[C@@H]1CCCC1(F)F)c1cccc(Cl)c1 ZINC000451289548 501257722 /nfs/dbraw/zinc/25/77/22/501257722.db2.gz XQPJUULZYUOIPG-JSGCOSHPSA-N -1 3 367.845 3.382 20 0 FGADHM Cc1csc(S(=O)(=O)[N-]C[C@H](c2ccccc2)C(C)(C)CO)c1 ZINC000451337761 501269428 /nfs/dbraw/zinc/26/94/28/501269428.db2.gz GRVOVQWJYJKBFK-OAHLLOKOSA-N -1 3 353.509 3.137 20 0 FGADHM CC(C)c1cccc(CC(=O)N2CCN(C(=O)c3cccc([O-])c3)CC2)c1 ZINC000457625961 501270896 /nfs/dbraw/zinc/27/08/96/501270896.db2.gz IFHPALXLTXKJJX-UHFFFAOYSA-N -1 3 366.461 3.043 20 0 FGADHM CCc1ccc([C@@H](CO)[N-]S(=O)(=O)Cc2c(F)cccc2Cl)cc1 ZINC000451346592 501271403 /nfs/dbraw/zinc/27/14/03/501271403.db2.gz UUYZCRUUOSBILE-QGZVFWFLSA-N -1 3 371.861 3.195 20 0 FGADHM COc1ccc([C@@H](OC)[C@@H](C)[N-]S(=O)(=O)c2cc(C)cs2)cc1 ZINC000451366888 501276249 /nfs/dbraw/zinc/27/62/49/501276249.db2.gz HTDQWJZRXLWYDV-WBMJQRKESA-N -1 3 355.481 3.120 20 0 FGADHM CC[C@H](C)Oc1cc(C[N-]S(=O)(=O)c2sccc2Cl)ccn1 ZINC000451369991 501276986 /nfs/dbraw/zinc/27/69/86/501276986.db2.gz BBQVQGCGRPMBAX-JTQLQIEISA-N -1 3 360.888 3.452 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1sccc1Cl)[C@@H]1CCCN(C2CCC2)C1 ZINC000451384267 501280394 /nfs/dbraw/zinc/28/03/94/501280394.db2.gz NDQOKWCSPUJAPW-VXGBXAGGSA-N -1 3 362.948 3.333 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1sccc1Cl)[C@H](c1ccccc1)N(C)C ZINC000451416005 501287811 /nfs/dbraw/zinc/28/78/11/501287811.db2.gz IWTOWAHZTBTINS-SMDDNHRTSA-N -1 3 358.916 3.371 20 0 FGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@@H](C)c1cccc(C2CC2)c1 ZINC000451589641 501331009 /nfs/dbraw/zinc/33/10/09/501331009.db2.gz ITPIUYNWJDFKNW-NSHDSACASA-N -1 3 365.476 3.452 20 0 FGADHM O=S(=O)([N-]CCCC1CCOCC1)c1ccc2ccccc2c1F ZINC000451612457 501336385 /nfs/dbraw/zinc/33/63/85/501336385.db2.gz KMZQXJLORVNGLO-UHFFFAOYSA-N -1 3 351.443 3.464 20 0 FGADHM CC[C@@H](COCC(F)(F)F)[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000451654818 501345030 /nfs/dbraw/zinc/34/50/30/501345030.db2.gz PFINXLAHDGMEIG-QMMMGPOBSA-N -1 3 363.760 3.115 20 0 FGADHM CC(C)(C[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)c1ccccn1 ZINC000451672974 501348491 /nfs/dbraw/zinc/34/84/91/501348491.db2.gz RALOFSCIONATDZ-UHFFFAOYSA-N -1 3 364.414 3.418 20 0 FGADHM O=c1[n-]c(CN2CC[C@@H]3C[C@@H](O)CC[C@H]3C2)nc2c3ccccc3oc21 ZINC000451695971 501353072 /nfs/dbraw/zinc/35/30/72/501353072.db2.gz OKFQGIJWDWFKNF-RDBSUJKOSA-N -1 3 353.422 3.065 20 0 FGADHM CN(C(=O)c1cnc2c(cnn2C)c1[O-])[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000458032201 501359743 /nfs/dbraw/zinc/35/97/43/501359743.db2.gz TWYMUBRDGVYRQL-RHSMWYFYSA-N -1 3 350.422 3.082 20 0 FGADHM CN(C(=O)c1ccc([N-]S(C)(=O)=O)cc1)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000458086525 501369882 /nfs/dbraw/zinc/36/98/82/501369882.db2.gz KZUAETHAHQJZNH-RBUKOAKNSA-N -1 3 372.490 3.466 20 0 FGADHM O=S(=O)([N-]CC1(CF)CCOCC1)c1ccc(Cl)cc1Cl ZINC000451811407 501377514 /nfs/dbraw/zinc/37/75/14/501377514.db2.gz FGQSBPIKZSJPCD-UHFFFAOYSA-N -1 3 356.246 3.038 20 0 FGADHM CO[C@H]([C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)C1CC1 ZINC000451966136 501410648 /nfs/dbraw/zinc/41/06/48/501410648.db2.gz DRORYDJPXPTBHV-AMIZOPFISA-N -1 3 371.808 3.451 20 0 FGADHM CCO[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000452062829 501427105 /nfs/dbraw/zinc/42/71/05/501427105.db2.gz ULXASXNSSOGOGL-VXGBXAGGSA-N -1 3 355.353 3.080 20 0 FGADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@@H]1CCO[C@@H](c2cccnc2)C1 ZINC000456237722 501479164 /nfs/dbraw/zinc/47/91/64/501479164.db2.gz ANAOBUMMZHYCKN-VQIMIIECSA-N -1 3 358.413 3.286 20 0 FGADHM CC(C)[C@@H]1C[C@H]1CNC(=O)Cc1csc(NC(=O)c2cccc([O-])c2)n1 ZINC000456293171 501490014 /nfs/dbraw/zinc/49/00/14/501490014.db2.gz GAONCMMMBCAWMW-BBRMVZONSA-N -1 3 373.478 3.052 20 0 FGADHM C[C@@H](NC(=O)NCc1nnc(C(F)(F)F)[n-]1)c1ccc(F)cc1Cl ZINC000458668426 501503425 /nfs/dbraw/zinc/50/34/25/501503425.db2.gz VDRUEFQTSJLORI-ZCFIWIBFSA-N -1 3 365.718 3.176 20 0 FGADHM C[C@@H](NC(=O)NCc1n[n-]c(C(F)(F)F)n1)c1ccc(F)cc1Cl ZINC000458668426 501503427 /nfs/dbraw/zinc/50/34/27/501503427.db2.gz VDRUEFQTSJLORI-ZCFIWIBFSA-N -1 3 365.718 3.176 20 0 FGADHM C[C@@H](NC(=O)NCc1nc(C(F)(F)F)n[n-]1)c1ccc(F)cc1Cl ZINC000458668426 501503428 /nfs/dbraw/zinc/50/34/28/501503428.db2.gz VDRUEFQTSJLORI-ZCFIWIBFSA-N -1 3 365.718 3.176 20 0 FGADHM Cc1c(Br)ccc([O-])c1NC(=O)c1cn(C(C)(C)C)nn1 ZINC000452748674 501555663 /nfs/dbraw/zinc/55/56/63/501555663.db2.gz LBVLNKLQYUEKAS-UHFFFAOYSA-N -1 3 353.220 3.062 20 0 FGADHM CCc1cc(C(=O)N[C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)ccc1[O-] ZINC000456604250 501556663 /nfs/dbraw/zinc/55/66/63/501556663.db2.gz CPMJVFCKJBERSM-KBPBESRZSA-N -1 3 352.434 3.051 20 0 FGADHM COC(=O)c1cc(CN(C)Cc2cccc([O-])c2Br)oc1C ZINC000459309911 501628553 /nfs/dbraw/zinc/62/85/53/501628553.db2.gz QGBRDKNWHOIETD-UHFFFAOYSA-N -1 3 368.227 3.475 20 0 FGADHM CCCC(=O)N[C@@H]1CCCN(Cc2cccc([O-])c2Br)C1 ZINC000459324397 501631024 /nfs/dbraw/zinc/63/10/24/501631024.db2.gz KKYQJIPIYNCDIZ-CYBMUJFWSA-N -1 3 355.276 3.035 20 0 FGADHM CCn1cc(C2CCN(Cc3cc(=O)[n-]c(-c4ccccc4)n3)CC2)cn1 ZINC000459331162 501632085 /nfs/dbraw/zinc/63/20/85/501632085.db2.gz UWPYWAQCRIHWJT-UHFFFAOYSA-N -1 3 363.465 3.445 20 0 FGADHM CCOc1cc(CN2CCC[C@@H](C(=O)N3CCCC3)C2)cc(Cl)c1[O-] ZINC000459339500 501634585 /nfs/dbraw/zinc/63/45/85/501634585.db2.gz DIEIQWATUFLMSD-OAHLLOKOSA-N -1 3 366.889 3.279 20 0 FGADHM O=C(c1ccc(F)cc1)[C@H]1CCCN(Cc2cc(=O)[n-]c(C3CC3)n2)C1 ZINC000459341813 501635012 /nfs/dbraw/zinc/63/50/12/501635012.db2.gz OMUFYDWBJNOOIL-HNNXBMFYSA-N -1 3 355.413 3.294 20 0 FGADHM O=c1cc(CN2CCO[C@H](c3ccsc3)C2)nc(-c2ccccc2)[n-]1 ZINC000459362426 501639129 /nfs/dbraw/zinc/63/91/29/501639129.db2.gz JOSXMSRGPGTNSE-KRWDZBQOSA-N -1 3 353.447 3.484 20 0 FGADHM C[C@@H](NCc1cccc([O-])c1Br)C(=O)N1CCCC[C@@H]1C ZINC000459403989 501647453 /nfs/dbraw/zinc/64/74/53/501647453.db2.gz HCSNIHKHCHPJNZ-NWDGAFQWSA-N -1 3 355.276 3.034 20 0 FGADHM CC(C)OC(=O)C[C@H](NCc1cc(=O)[n-]c(C2CC2)n1)c1ccccc1 ZINC000459414419 501649874 /nfs/dbraw/zinc/64/98/74/501649874.db2.gz SIGLYFORARVYNM-KRWDZBQOSA-N -1 3 355.438 3.232 20 0 FGADHM CCOc1cc(CN2CCN(C(=O)C3CC3)CC2(C)C)cc(Cl)c1[O-] ZINC000459470615 501659325 /nfs/dbraw/zinc/65/93/25/501659325.db2.gz AJQYMCUWWSIDAP-UHFFFAOYSA-N -1 3 366.889 3.277 20 0 FGADHM O=C(N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1)c1cccc2ccc(=O)[nH]c21 ZINC000582514498 506266665 /nfs/dbraw/zinc/26/66/65/506266665.db2.gz PCYOTTKDZHSBQP-UHFFFAOYSA-N -1 3 366.327 3.283 20 0 FGADHM CCOc1cc(CN[C@@H](CO)c2ccsc2)cc(Br)c1[O-] ZINC000459522361 501669015 /nfs/dbraw/zinc/66/90/15/501669015.db2.gz HTYDDLVBQIHDCB-ZDUSSCGKSA-N -1 3 372.284 3.438 20 0 FGADHM C[S@](=O)Cc1ccc(CNCc2cccc([O-])c2Br)cc1 ZINC000459548638 501674660 /nfs/dbraw/zinc/67/46/60/501674660.db2.gz MJJPJKMRGNKNGG-NRFANRHFSA-N -1 3 368.296 3.323 20 0 FGADHM CCOc1cc(CNC(C)(C)c2cc(C(=O)OC)on2)cc(Cl)c1[O-] ZINC000459565703 501677542 /nfs/dbraw/zinc/67/75/42/501677542.db2.gz RUQPWPGTSOBLGL-UHFFFAOYSA-N -1 3 368.817 3.244 20 0 FGADHM COc1ncccc1C[N-]S(=O)(=O)c1oc2ccc(Cl)cc2c1C ZINC000470559580 501727213 /nfs/dbraw/zinc/72/72/13/501727213.db2.gz QBACQHXNEZZOQV-UHFFFAOYSA-N -1 3 366.826 3.277 20 0 FGADHM O=C(Nc1nnc(-c2cc3ccccc3o2)[n-]1)c1cccc2c1OCCO2 ZINC000485128652 501729831 /nfs/dbraw/zinc/72/98/31/501729831.db2.gz FPVCBGVGHONTIZ-UHFFFAOYSA-N -1 3 362.345 3.241 20 0 FGADHM O=C(Nc1nc(-c2cc3ccccc3o2)n[n-]1)c1cccc2c1OCCO2 ZINC000485128652 501729837 /nfs/dbraw/zinc/72/98/37/501729837.db2.gz FPVCBGVGHONTIZ-UHFFFAOYSA-N -1 3 362.345 3.241 20 0 FGADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)c1cccc2c1OCCO2 ZINC000485128652 501729843 /nfs/dbraw/zinc/72/98/43/501729843.db2.gz FPVCBGVGHONTIZ-UHFFFAOYSA-N -1 3 362.345 3.241 20 0 FGADHM CCOC(=O)C1(CC(=O)Nc2nnc(-c3cc4ccccc4o3)[n-]2)CCC1 ZINC000485127274 501730173 /nfs/dbraw/zinc/73/01/73/501730173.db2.gz KOBCFLOFUYRJOU-UHFFFAOYSA-N -1 3 368.393 3.280 20 0 FGADHM CCOC(=O)C1(CC(=O)Nc2nc(-c3cc4ccccc4o3)n[n-]2)CCC1 ZINC000485127274 501730176 /nfs/dbraw/zinc/73/01/76/501730176.db2.gz KOBCFLOFUYRJOU-UHFFFAOYSA-N -1 3 368.393 3.280 20 0 FGADHM CCOC(=O)C1(CC(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)CCC1 ZINC000485127274 501730178 /nfs/dbraw/zinc/73/01/78/501730178.db2.gz KOBCFLOFUYRJOU-UHFFFAOYSA-N -1 3 368.393 3.280 20 0 FGADHM CC[C@@H](C)[C@H]([N-]S(C)(=O)=O)C(=O)Nc1ccc(OCCC(C)C)cc1 ZINC000467202390 501735545 /nfs/dbraw/zinc/73/55/45/501735545.db2.gz ROJQAFXLPBUDKH-PBHICJAKSA-N -1 3 370.515 3.014 20 0 FGADHM CCCN(CC1CCCCC1)C(=O)c1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000481323288 501744253 /nfs/dbraw/zinc/74/42/53/501744253.db2.gz OAKJIXLTBQPVCD-NRFANRHFSA-N -1 3 371.481 3.174 20 0 FGADHM COC(=O)c1csc(S(=O)(=O)[N-][C@@H](C)[C@H](C)c2ccccc2)c1 ZINC000474216965 501748163 /nfs/dbraw/zinc/74/81/63/501748163.db2.gz XICHIFZJYIBPRN-RYUDHWBXSA-N -1 3 353.465 3.005 20 0 FGADHM CCCn1cc(CNc2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)cn1 ZINC000485290614 501778924 /nfs/dbraw/zinc/77/89/24/501778924.db2.gz QDODNGKSQGOWFY-UHFFFAOYSA-N -1 3 368.478 3.121 20 0 FGADHM CCOC(=O)c1c(C(C)C)csc1[N-]C(=O)C(=O)N1CCC(C)CC1 ZINC000467393798 501783921 /nfs/dbraw/zinc/78/39/21/501783921.db2.gz AZLQASFFLBQBDO-UHFFFAOYSA-N -1 3 366.483 3.245 20 0 FGADHM CC(C)(C)CCS(=O)(=O)[N-][C@H](CO)c1c(Cl)cccc1Cl ZINC000481499146 501792998 /nfs/dbraw/zinc/79/29/98/501792998.db2.gz ZUJUDKOPVVUOCT-GFCCVEGCSA-N -1 3 354.299 3.382 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(OCCN(C)C)c(Cl)c2)s1 ZINC000467438151 501794648 /nfs/dbraw/zinc/79/46/48/501794648.db2.gz FJZACMRXJOFGKU-UHFFFAOYSA-N -1 3 374.915 3.451 20 0 FGADHM Cc1ccc([C@@H](C[N-]S(=O)(=O)c2c(F)cccc2Cl)N(C)C)cc1 ZINC000463699223 501797410 /nfs/dbraw/zinc/79/74/10/501797410.db2.gz DUJKYCRFCISAJC-MRXNPFEDSA-N -1 3 370.877 3.369 20 0 FGADHM C[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1cccc(Br)c1 ZINC000463721379 501802811 /nfs/dbraw/zinc/80/28/11/501802811.db2.gz IHTAPBGHSBQDIC-JTQLQIEISA-N -1 3 372.226 3.371 20 0 FGADHM C[C@H](C(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1cccc(Br)c1 ZINC000463721379 501802816 /nfs/dbraw/zinc/80/28/16/501802816.db2.gz IHTAPBGHSBQDIC-JTQLQIEISA-N -1 3 372.226 3.371 20 0 FGADHM CCOC(=O)c1ccc(NC(=O)[C@@H]2COc3cc(C)c(C)cc32)c([O-])c1 ZINC000474375462 501811806 /nfs/dbraw/zinc/81/18/06/501811806.db2.gz UTMJCISLYOEAPY-OAHLLOKOSA-N -1 3 355.390 3.300 20 0 FGADHM Cc1cccc2c1OCC[C@H]2[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000474386825 501816470 /nfs/dbraw/zinc/81/64/70/501816470.db2.gz DTRLGUSUSJSXCB-LLVKDONJSA-N -1 3 372.240 3.153 20 0 FGADHM COCc1nc(S[C@@H](C)C(=O)c2cc(C)n(Cc3ccco3)c2C)n[n-]1 ZINC000474394472 501820168 /nfs/dbraw/zinc/82/01/68/501820168.db2.gz YQMKZWAAVIAOKU-ZDUSSCGKSA-N -1 3 374.466 3.374 20 0 FGADHM O=C(CC1(N2CCOCC2)CCCC1)Nc1cc(F)cc(Cl)c1[O-] ZINC000474433815 501835508 /nfs/dbraw/zinc/83/55/08/501835508.db2.gz QQAUWQHWQZODJO-UHFFFAOYSA-N -1 3 356.825 3.158 20 0 FGADHM COc1ccc2c(c1)CCC[C@@H]2C[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000463861368 501842125 /nfs/dbraw/zinc/84/21/25/501842125.db2.gz WRSQBOPSWLUMLJ-CYBMUJFWSA-N -1 3 366.870 3.142 20 0 FGADHM CC[C@@H](C)C[C@@H](C)NC(=O)c1cc(C(C)C)nc2c1c(=O)[n-]c(=O)n2CC ZINC000463922431 501854442 /nfs/dbraw/zinc/85/44/42/501854442.db2.gz WANFMBIPSHANIQ-CHWSQXEVSA-N -1 3 374.485 3.195 20 0 FGADHM Cc1cc(CS(=O)(=O)[N-][C@@H](c2ccc(F)cc2F)C(C)(C)C)on1 ZINC000467763154 501864011 /nfs/dbraw/zinc/86/40/11/501864011.db2.gz GZKBXTCJGZKANN-HNNXBMFYSA-N -1 3 358.410 3.468 20 0 FGADHM CC(C)c1nnc(C[N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)s1 ZINC000467769014 501865258 /nfs/dbraw/zinc/86/52/58/501865258.db2.gz NRFCIWGKDPXTKN-UHFFFAOYSA-N -1 3 353.513 3.438 20 0 FGADHM CCCN(C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)[C@@H]1C[C@H](OCC)C1(C)C ZINC000481736459 501869638 /nfs/dbraw/zinc/86/96/38/501869638.db2.gz OEUMLYZWLFWWGF-CVEARBPZSA-N -1 3 373.453 3.018 20 0 FGADHM COC(=O)c1cc(F)cc([N-]C(=O)c2cc(OCC(F)F)ccn2)c1F ZINC000478065288 501871050 /nfs/dbraw/zinc/87/10/50/501871050.db2.gz HIQRAJOFWUSVRT-UHFFFAOYSA-N -1 3 372.274 3.043 20 0 FGADHM Cc1ccc(F)c(S(=O)(=O)[N-][C@@H](C)[C@H](c2ccccc2)N(C)C)c1 ZINC000474571974 501879140 /nfs/dbraw/zinc/87/91/40/501879140.db2.gz CSVNMBYGXZBVOF-KBXCAEBGSA-N -1 3 350.459 3.104 20 0 FGADHM COc1ccc(S(=O)(=O)[N-][C@@H]2CCSc3ccccc32)c(F)c1 ZINC000478149021 501893876 /nfs/dbraw/zinc/89/38/76/501893876.db2.gz LLAOPUQSFXLGMR-CQSZACIVSA-N -1 3 353.440 3.350 20 0 FGADHM CCCCc1nc(C(=O)OCC)c(NC(=O)c2cccc(OC(C)C)n2)[n-]1 ZINC000485668789 501894894 /nfs/dbraw/zinc/89/48/94/501894894.db2.gz JPUQFAWUUSWSJC-UHFFFAOYSA-N -1 3 374.441 3.364 20 0 FGADHM CCCCc1nc(NC(=O)c2cccc(OC(C)C)n2)c(C(=O)OCC)[n-]1 ZINC000485668789 501894896 /nfs/dbraw/zinc/89/48/96/501894896.db2.gz JPUQFAWUUSWSJC-UHFFFAOYSA-N -1 3 374.441 3.364 20 0 FGADHM CCCCc1nc(C(=O)OCC)c(NC(=O)[C@H]2COc3ccccc3C2)[n-]1 ZINC000485668336 501895233 /nfs/dbraw/zinc/89/52/33/501895233.db2.gz RMQBKAOPOMTFKU-CQSZACIVSA-N -1 3 371.437 3.119 20 0 FGADHM CCCCc1nc(NC(=O)[C@H]2COc3ccccc3C2)c(C(=O)OCC)[n-]1 ZINC000485668336 501895238 /nfs/dbraw/zinc/89/52/38/501895238.db2.gz RMQBKAOPOMTFKU-CQSZACIVSA-N -1 3 371.437 3.119 20 0 FGADHM O=C(NCC1(c2cccc(Br)c2)CCCCC1)c1c[n-]nn1 ZINC000464126391 501902883 /nfs/dbraw/zinc/90/28/83/501902883.db2.gz CZRVOGNLAYTLDT-UHFFFAOYSA-N -1 3 363.259 3.199 20 0 FGADHM O=C(NCC1(c2cccc(Br)c2)CCCCC1)c1cnn[n-]1 ZINC000464126391 501902886 /nfs/dbraw/zinc/90/28/86/501902886.db2.gz CZRVOGNLAYTLDT-UHFFFAOYSA-N -1 3 363.259 3.199 20 0 FGADHM O=C(NCC1(c2cccc(Br)c2)CCCCC1)c1cn[n-]n1 ZINC000464126391 501902888 /nfs/dbraw/zinc/90/28/88/501902888.db2.gz CZRVOGNLAYTLDT-UHFFFAOYSA-N -1 3 363.259 3.199 20 0 FGADHM CC(C)(C)c1nnc([N-]C(=O)c2cn(-c3ccccc3Cl)nn2)s1 ZINC000478195622 501906137 /nfs/dbraw/zinc/90/61/37/501906137.db2.gz KJTFQLVZWOAQOB-UHFFFAOYSA-N -1 3 362.846 3.322 20 0 FGADHM CCc1cc(C(=O)NCc2ccc(OC)c(OC(F)F)c2)ccc1[O-] ZINC000485702097 501906457 /nfs/dbraw/zinc/90/64/57/501906457.db2.gz NKERRDSSGULHGN-UHFFFAOYSA-N -1 3 351.349 3.495 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]CC(=O)c2ccccc2Cl)c(F)cc1F ZINC000464206995 501922213 /nfs/dbraw/zinc/92/22/13/501922213.db2.gz AIULBHLPGSFFRA-UHFFFAOYSA-N -1 3 359.781 3.088 20 0 FGADHM CCc1ccccc1C=C([O-])Nc1nc(-c2cccc(OC)c2)ns1 ZINC000468009146 501928449 /nfs/dbraw/zinc/92/84/49/501928449.db2.gz IYWVECDOCDSNTI-UHFFFAOYSA-N -1 3 353.447 3.379 20 0 FGADHM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(OCC(F)F)cc3)ccc2O1 ZINC000481961785 501930163 /nfs/dbraw/zinc/93/01/63/501930163.db2.gz VQWGWWISSKHGAL-LLVKDONJSA-N -1 3 369.389 3.455 20 0 FGADHM Cc1ccc(O[C@@H](C)C(=O)Nc2nnc(-c3c(F)cccc3F)[n-]2)cc1 ZINC000478309478 501939105 /nfs/dbraw/zinc/93/91/05/501939105.db2.gz IBSSOAPZWZQKFU-NSHDSACASA-N -1 3 358.348 3.464 20 0 FGADHM Cc1ccc(O[C@@H](C)C(=O)Nc2nc(-c3c(F)cccc3F)n[n-]2)cc1 ZINC000478309478 501939112 /nfs/dbraw/zinc/93/91/12/501939112.db2.gz IBSSOAPZWZQKFU-NSHDSACASA-N -1 3 358.348 3.464 20 0 FGADHM Cc1ccc(O[C@@H](C)C(=O)Nc2n[n-]c(-c3c(F)cccc3F)n2)cc1 ZINC000478309478 501939119 /nfs/dbraw/zinc/93/91/19/501939119.db2.gz IBSSOAPZWZQKFU-NSHDSACASA-N -1 3 358.348 3.464 20 0 FGADHM O=C([N-]c1nnc2ccccn21)c1c(F)ccc(Br)c1F ZINC000485815238 501948495 /nfs/dbraw/zinc/94/84/95/501948495.db2.gz QYSQYQRCIIQMQQ-UHFFFAOYSA-N -1 3 353.126 3.022 20 0 FGADHM CC[C@H]1CC[C@H](C)N1C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482055491 501958942 /nfs/dbraw/zinc/95/89/42/501958942.db2.gz YPKOGQYLOABYTG-JQWIXIFHSA-N -1 3 351.248 3.314 20 0 FGADHM CC[C@@]1(C)CCN(C(=O)N=c2cc3ccc(Br)cn3[n-]2)C1 ZINC000482078280 501967766 /nfs/dbraw/zinc/96/77/66/501967766.db2.gz QIKAEIXFEFGFEL-HNNXBMFYSA-N -1 3 351.248 3.173 20 0 FGADHM COC(=O)c1sc(NC(=O)CCCc2ccc([O-])c(F)c2)nc1C ZINC000471252568 501968742 /nfs/dbraw/zinc/96/87/42/501968742.db2.gz KMKGCCQCTLKYGE-UHFFFAOYSA-N -1 3 352.387 3.044 20 0 FGADHM Cc1ccc(NC(=O)NCc2ncccc2[O-])cc1NC(=O)C(C)(C)C ZINC000471272945 501974686 /nfs/dbraw/zinc/97/46/86/501974686.db2.gz MBWDNAOWINSGFU-UHFFFAOYSA-N -1 3 356.426 3.402 20 0 FGADHM COc1cc(C(=O)N[C@@H](CO)c2c(Cl)cccc2Cl)ccc1[O-] ZINC000478438440 501982461 /nfs/dbraw/zinc/98/24/61/501982461.db2.gz YKKJXEIJQOFNJM-LBPRGKRZSA-N -1 3 356.205 3.171 20 0 FGADHM CCN=c1[n-]c(C(=O)N[C@H](C)c2ccc(OCC)c(OCC)c2)cs1 ZINC000478466416 501991210 /nfs/dbraw/zinc/99/12/10/501991210.db2.gz XELNINDTDALRFP-GFCCVEGCSA-N -1 3 363.483 3.285 20 0 FGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)c2ccc(C(F)(F)F)cn2)c1 ZINC000461029377 501993025 /nfs/dbraw/zinc/99/30/25/501993025.db2.gz RBYDPIGCCYYDHI-UHFFFAOYSA-N -1 3 373.356 3.033 20 0 FGADHM C[C@@H]1CCC[C@H]1CNC(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482171064 501996661 /nfs/dbraw/zinc/99/66/61/501996661.db2.gz TWLXRPRCJXHHFK-MNOVXSKESA-N -1 3 351.248 3.076 20 0 FGADHM CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-][C@H](C)c1cc(C)sc1C ZINC000485957867 502001315 /nfs/dbraw/zinc/00/13/15/502001315.db2.gz AQGBRKDPYGYHAA-SNVBAGLBSA-N -1 3 371.480 3.346 20 0 FGADHM O=S(=O)([N-]C[C@@H](c1ccccc1)C(F)(F)F)c1cncc(Cl)c1 ZINC000485956274 502001634 /nfs/dbraw/zinc/00/16/34/502001634.db2.gz WONHIGSLQWEXMN-ZDUSSCGKSA-N -1 3 364.776 3.359 20 0 FGADHM COc1ccc2c(c1)[n-]cc(C(=O)N1CC[C@H](c3ccc(F)cc3)C1)c2=O ZINC000482202407 502006129 /nfs/dbraw/zinc/00/61/29/502006129.db2.gz ZDIPIIAZKQTDKV-AWEZNQCLSA-N -1 3 366.392 3.306 20 0 FGADHM CC(C)c1cccc(O[C@H](C)C(=O)NCc2nnc(C(F)(F)F)[n-]2)c1 ZINC000482215678 502009062 /nfs/dbraw/zinc/00/90/62/502009062.db2.gz BXUCDCXKYSDWPT-SNVBAGLBSA-N -1 3 356.348 3.031 20 0 FGADHM CC(C)c1cccc(O[C@H](C)C(=O)NCc2n[n-]c(C(F)(F)F)n2)c1 ZINC000482215678 502009064 /nfs/dbraw/zinc/00/90/64/502009064.db2.gz BXUCDCXKYSDWPT-SNVBAGLBSA-N -1 3 356.348 3.031 20 0 FGADHM CC(C)c1cccc(O[C@H](C)C(=O)NCc2nc(C(F)(F)F)n[n-]2)c1 ZINC000482215678 502009068 /nfs/dbraw/zinc/00/90/68/502009068.db2.gz BXUCDCXKYSDWPT-SNVBAGLBSA-N -1 3 356.348 3.031 20 0 FGADHM Cc1ccc(-c2cc(C(=O)Nc3ccc(OC(C)C)c(C(N)=O)c3)n[n-]2)o1 ZINC000478529826 502009537 /nfs/dbraw/zinc/00/95/37/502009537.db2.gz OFKNGUZQUUWXIL-UHFFFAOYSA-N -1 3 368.393 3.117 20 0 FGADHM Cc1ccc(-c2cc(C(=O)Nc3ccc(OC(C)C)c(C(N)=O)c3)[n-]n2)o1 ZINC000478529826 502009544 /nfs/dbraw/zinc/00/95/44/502009544.db2.gz OFKNGUZQUUWXIL-UHFFFAOYSA-N -1 3 368.393 3.117 20 0 FGADHM C[C@H](Sc1ccccc1Cl)C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000482217921 502010922 /nfs/dbraw/zinc/01/09/22/502010922.db2.gz UJTOHUIQNAWIJJ-ZETCQYMHSA-N -1 3 364.780 3.274 20 0 FGADHM C[C@H](Sc1ccccc1Cl)C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000482217921 502010928 /nfs/dbraw/zinc/01/09/28/502010928.db2.gz UJTOHUIQNAWIJJ-ZETCQYMHSA-N -1 3 364.780 3.274 20 0 FGADHM C[C@H](Sc1ccccc1Cl)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000482217921 502010932 /nfs/dbraw/zinc/01/09/32/502010932.db2.gz UJTOHUIQNAWIJJ-ZETCQYMHSA-N -1 3 364.780 3.274 20 0 FGADHM O=C(CNC(=O)c1cccc([O-])c1)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000471400093 502012525 /nfs/dbraw/zinc/01/25/25/502012525.db2.gz ZYXBYBCVLXQOOK-UHFFFAOYSA-N -1 3 370.739 3.016 20 0 FGADHM CC1(C)CC[C@H](NC(=O)N=c2cc3ccc(Br)cn3[n-]2)C1 ZINC000482234242 502014825 /nfs/dbraw/zinc/01/48/25/502014825.db2.gz WLXWTNNAFOYPGE-NSHDSACASA-N -1 3 351.248 3.219 20 0 FGADHM CC(C)[C@@H](Sc1ccccc1)C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000482250167 502020106 /nfs/dbraw/zinc/02/01/06/502020106.db2.gz XWKAHIBIIYRJGD-GFCCVEGCSA-N -1 3 358.389 3.257 20 0 FGADHM CC(C)[C@@H](Sc1ccccc1)C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000482250167 502020109 /nfs/dbraw/zinc/02/01/09/502020109.db2.gz XWKAHIBIIYRJGD-GFCCVEGCSA-N -1 3 358.389 3.257 20 0 FGADHM CC(C)[C@@H](Sc1ccccc1)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000482250167 502020112 /nfs/dbraw/zinc/02/01/12/502020112.db2.gz XWKAHIBIIYRJGD-GFCCVEGCSA-N -1 3 358.389 3.257 20 0 FGADHM CCC[C@H](C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)C(C)C ZINC000482298963 502033369 /nfs/dbraw/zinc/03/33/69/502033369.db2.gz CLYBPVXHLHHAAI-AWEZNQCLSA-N -1 3 356.463 3.277 20 0 FGADHM C[C@@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1nnc2n1CCCCC2 ZINC000468354632 502034464 /nfs/dbraw/zinc/03/44/64/502034464.db2.gz WVSBCJRYQANLBV-CYBMUJFWSA-N -1 3 360.433 3.049 20 0 FGADHM C[C@H](CNC(=O)CCCc1ccc([O-])c(F)c1)N1CCc2ccccc2C1 ZINC000468387016 502043369 /nfs/dbraw/zinc/04/33/69/502043369.db2.gz CLKPWPOTTLBKLB-MRXNPFEDSA-N -1 3 370.468 3.417 20 0 FGADHM Cn1[n-]c(-c2ccccc2Cl)nc1=NC(=O)Cc1ccc(Cl)cc1 ZINC000461232579 502046678 /nfs/dbraw/zinc/04/66/78/502046678.db2.gz KBASCPUGNGGVTN-UHFFFAOYSA-N -1 3 361.232 3.392 20 0 FGADHM Cn1[n-]c(-c2ccccc2Cl)nc1=NC(=O)CC1(C(F)(F)F)CC1 ZINC000461234508 502047145 /nfs/dbraw/zinc/04/71/45/502047145.db2.gz QUEGEROOWGBECL-UHFFFAOYSA-N -1 3 358.751 3.229 20 0 FGADHM O=C(c1ccc2c(c1)C(=O)[N-]C2=O)N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000482351427 502049062 /nfs/dbraw/zinc/04/90/62/502049062.db2.gz XYANEEXIWQMAIL-QGZVFWFLSA-N -1 3 352.365 3.077 20 0 FGADHM Cn1[n-]c(-c2ccccc2Cl)nc1=NC(=O)[C@@H]1CC[C@H](C(F)(F)F)C1 ZINC000461242311 502049464 /nfs/dbraw/zinc/04/94/64/502049464.db2.gz QGTKPPSPDWHHGY-ZJUUUORDSA-N -1 3 372.778 3.475 20 0 FGADHM CCc1ccc([O-])c(C(=O)N2C[C@@H](c3ccc(Cl)cc3)[C@H](CO)C2)c1 ZINC000461268582 502057777 /nfs/dbraw/zinc/05/77/77/502057777.db2.gz VJVAMJXINBTOAS-YJBOKZPZSA-N -1 3 359.853 3.456 20 0 FGADHM CCOc1cc(C(=O)NC[C@H]2N(C)CCCC2(C)C)cc(Cl)c1[O-] ZINC000468471310 502069246 /nfs/dbraw/zinc/06/92/46/502069246.db2.gz VDEJBKUCWKTFNY-OAHLLOKOSA-N -1 3 354.878 3.295 20 0 FGADHM COc1cc(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCCO3)ccc1F ZINC000471597645 502080764 /nfs/dbraw/zinc/08/07/64/502080764.db2.gz QCZSFCYPTXHSAU-UHFFFAOYSA-N -1 3 373.789 3.060 20 0 FGADHM CC(C)COC[C@H]([N-]S(=O)(=O)c1cccc(N(C)C)c1)c1ccco1 ZINC000471607851 502085272 /nfs/dbraw/zinc/08/52/72/502085272.db2.gz ZFTOVZHOTPGCNW-KRWDZBQOSA-N -1 3 366.483 3.038 20 0 FGADHM COc1cc(S(=O)(=O)[N-]c2ccc(NC(C)=O)cc2Cl)ccc1F ZINC000471606826 502085771 /nfs/dbraw/zinc/08/57/71/502085771.db2.gz QEOSLIBAMWJXJG-UHFFFAOYSA-N -1 3 372.805 3.247 20 0 FGADHM CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000482504331 502090096 /nfs/dbraw/zinc/09/00/96/502090096.db2.gz GBGVSVBWKYWBOZ-CQSZACIVSA-N -1 3 357.801 3.316 20 0 FGADHM CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000482504331 502090105 /nfs/dbraw/zinc/09/01/05/502090105.db2.gz GBGVSVBWKYWBOZ-CQSZACIVSA-N -1 3 357.801 3.316 20 0 FGADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCN(CCc2ccccc2)CC1 ZINC000468523535 502091526 /nfs/dbraw/zinc/09/15/26/502091526.db2.gz QLSUOOOUOUNODY-UHFFFAOYSA-N -1 3 370.468 3.241 20 0 FGADHM CCc1cc(C(=O)N(CC(=O)OC)Cc2ccc(F)c(F)c2)ccc1[O-] ZINC000486231010 502091836 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Cc1cccc(F)c1S(=O)(=O)[N-]Cc1cccc(-c2cnn(C)c2)c1 ZINC000476512611 502510380 /nfs/dbraw/zinc/51/03/80/502510380.db2.gz MUNJLTIXXREGHN-UHFFFAOYSA-N -1 3 359.426 3.013 20 0 FGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]Cc1cccc(C(C)C)c1 ZINC000476558091 502523705 /nfs/dbraw/zinc/52/37/05/502523705.db2.gz ALBMXPWSJUTEAH-UHFFFAOYSA-N -1 3 365.426 3.214 20 0 FGADHM COc1ccc(OC)c([C@H]2C[C@@H]2C(=O)N=c2cc(-c3ccccc3)[n-][nH]2)c1 ZINC000473140135 502526573 /nfs/dbraw/zinc/52/65/73/502526573.db2.gz CJIGQLBSIFPMMD-WBVHZDCISA-N -1 3 363.417 3.258 20 0 FGADHM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(OC)ccc2Cl)C12CCCC2 ZINC000462665649 502527846 /nfs/dbraw/zinc/52/78/46/502527846.db2.gz JXBOLYXWOHIMNI-HOTGVXAUSA-N -1 3 373.902 3.365 20 0 FGADHM COc1cc(Cl)c(S(=O)(=O)[N-]C[C@H](C)C(F)(F)F)cc1Cl ZINC000476594557 502537132 /nfs/dbraw/zinc/53/71/32/502537132.db2.gz JAGYMFQMFOEVBR-LURJTMIESA-N -1 3 366.188 3.479 20 0 FGADHM C[C@@H](C[N-]S(=O)(=O)c1ccc(Br)c(F)c1)C(F)(F)F ZINC000476593801 502537201 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FGADHM CN(C)C(=O)c1ccnc([N-]C(=O)c2cc(-c3ccccc3Cl)on2)c1 ZINC000506244683 503076288 /nfs/dbraw/zinc/07/62/88/503076288.db2.gz ZIYMTQWISVIAHV-UHFFFAOYSA-N -1 3 370.796 3.344 20 0 FGADHM O=C(Nc1c[nH]nc1-c1ccccc1)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000501780355 503077972 /nfs/dbraw/zinc/07/79/72/503077972.db2.gz OHBDZTXSVWXXCM-UHFFFAOYSA-N -1 3 366.327 3.449 20 0 FGADHM O=C(Nc1c[nH]nc1-c1ccccc1)c1cnc2c(F)cc(F)cc2c1[O-] ZINC000501780355 503077976 /nfs/dbraw/zinc/07/79/76/503077976.db2.gz OHBDZTXSVWXXCM-UHFFFAOYSA-N -1 3 366.327 3.449 20 0 FGADHM COc1cccc(C2([N-]S(=O)(=O)c3ccc(Br)o3)CC2)c1 ZINC000510394618 503105527 /nfs/dbraw/zinc/10/55/27/503105527.db2.gz PKEBGQJOUJAIJS-UHFFFAOYSA-N -1 3 372.240 3.018 20 0 FGADHM CC[C@@H](C)N[C@H](C[N-]S(=O)(=O)c1c(C)cccc1F)c1ccco1 ZINC000510412374 503109034 /nfs/dbraw/zinc/10/90/34/503109034.db2.gz JXWWPJOYMNFHQN-UKRRQHHQSA-N -1 3 354.447 3.135 20 0 FGADHM CC[C@]([N-]S(=O)(=O)c1ccc(C)c(C)c1)(C(=O)OC)c1ccccc1 ZINC000510489622 503125073 /nfs/dbraw/zinc/12/50/73/503125073.db2.gz IVXFEEJQMABMCE-LJQANCHMSA-N -1 3 361.463 3.060 20 0 FGADHM CCC[C@@]1([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)CCOC1 ZINC000510503778 503127491 /nfs/dbraw/zinc/12/74/91/503127491.db2.gz WABATQBQFBZSSW-CYBMUJFWSA-N -1 3 355.353 3.082 20 0 FGADHM CCOC(=O)Cc1cccc(S(=O)(=O)[N-]c2ccc(F)cc2Cl)c1 ZINC000506552236 503135302 /nfs/dbraw/zinc/13/53/02/503135302.db2.gz DCHOHDHQDUUZGI-UHFFFAOYSA-N -1 3 371.817 3.386 20 0 FGADHM CC[C@H](c1cccc(OC)c1)N(C)C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000502129571 503148245 /nfs/dbraw/zinc/14/82/45/503148245.db2.gz WNKPXNLECRGNNG-GFCCVEGCSA-N -1 3 371.363 3.125 20 0 FGADHM CC[C@H](c1cccc(OC)c1)N(C)C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000502129571 503148246 /nfs/dbraw/zinc/14/82/46/503148246.db2.gz WNKPXNLECRGNNG-GFCCVEGCSA-N -1 3 371.363 3.125 20 0 FGADHM CC[C@H](c1cccc(OC)c1)N(C)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000502129571 503148249 /nfs/dbraw/zinc/14/82/49/503148249.db2.gz WNKPXNLECRGNNG-GFCCVEGCSA-N -1 3 371.363 3.125 20 0 FGADHM CC(C)NC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccsc2)c1 ZINC000506675692 503154510 /nfs/dbraw/zinc/15/45/10/503154510.db2.gz PUQQFDHONHKKSY-UHFFFAOYSA-N -1 3 358.872 3.341 20 0 FGADHM COCc1ccc(OC)c(S(=O)(=O)[N-]c2cc(OC)ccc2Cl)c1 ZINC000506675948 503154976 /nfs/dbraw/zinc/15/49/76/503154976.db2.gz NHUBDJVQKLCJDT-UHFFFAOYSA-N -1 3 371.842 3.304 20 0 FGADHM Cc1noc([C@H](NCc2ccc([O-])c3nc(C)ccc23)C2CCOCC2)n1 ZINC000498351874 503164814 /nfs/dbraw/zinc/16/48/14/503164814.db2.gz FMQBTSBVMSZNNC-GOSISDBHSA-N -1 3 368.437 3.198 20 0 FGADHM CO[C@H]1C[C@@H](CC(=O)[O-])N(Cc2cc(-c3ccc(Cl)cc3)no2)C1 ZINC000514678752 503165673 /nfs/dbraw/zinc/16/56/73/503165673.db2.gz TZLPAMDNCCDNAT-KBPBESRZSA-N -1 3 350.802 3.059 20 0 FGADHM CN(Cc1cc[nH]n1)Cc1nc(=O)c2cc(-c3ccccc3)sc2[n-]1 ZINC000510676918 503170460 /nfs/dbraw/zinc/17/04/60/503170460.db2.gz AHOQEFCYPPMNEM-UHFFFAOYSA-N -1 3 351.435 3.419 20 0 FGADHM O=S(=O)([N-][C@H]1CCN(c2ccccc2F)C1)c1cc(F)cc(Cl)c1 ZINC000490446191 503175397 /nfs/dbraw/zinc/17/53/97/503175397.db2.gz PHKGDKKQEURXLD-ZDUSSCGKSA-N -1 3 372.824 3.175 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]C(C)(C)c2cc(C(F)(F)F)on2)c(F)c1 ZINC000490453580 503177417 /nfs/dbraw/zinc/17/74/17/503177417.db2.gz KPTGRHSTDYFPCS-UHFFFAOYSA-N -1 3 366.336 3.355 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1cc(F)cc(F)c1)[C@@H]1OCCc2sccc21 ZINC000490506763 503185976 /nfs/dbraw/zinc/18/59/76/503185976.db2.gz YNOLQBKXQKVJGS-VFZGTOFNSA-N -1 3 359.419 3.007 20 0 FGADHM CO[C@H](CS(=O)(=O)[N-]c1cc(-c2cncc(F)c2)ccc1C)C1CC1 ZINC000514789439 503193509 /nfs/dbraw/zinc/19/35/09/503193509.db2.gz AWGAPUCVGSZARQ-GOSISDBHSA-N -1 3 364.442 3.363 20 0 FGADHM CCN(CC(=O)Nc1c(F)cccc1F)Cc1c(F)ccc([O-])c1F ZINC000506926240 503195379 /nfs/dbraw/zinc/19/53/79/503195379.db2.gz JJCUPYDNOMFWPH-UHFFFAOYSA-N -1 3 356.319 3.409 20 0 FGADHM COc1cc(Br)cc([N-]S(=O)(=O)CCc2ccccc2)c1 ZINC000498500571 503196987 /nfs/dbraw/zinc/19/69/87/503196987.db2.gz WWJCCWGLJORDGL-UHFFFAOYSA-N -1 3 370.268 3.442 20 0 FGADHM C[C@@H](CC(=O)Nc1cccc([C@]2(C)NC(=O)[N-]C2=O)c1)C1CCCCC1 ZINC000510836215 503201412 /nfs/dbraw/zinc/20/14/12/503201412.db2.gz HIEIBUPGLLPRIS-RBZFPXEDSA-N -1 3 357.454 3.286 20 0 FGADHM CCc1nc(C)c(C[N-]S(=O)(=O)c2ccc(SC)c(Cl)c2)o1 ZINC000490611624 503203536 /nfs/dbraw/zinc/20/35/36/503203536.db2.gz XISPPSNBZSWENE-UHFFFAOYSA-N -1 3 360.888 3.399 20 0 FGADHM Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000490662424 503211614 /nfs/dbraw/zinc/21/16/14/503211614.db2.gz OMMMFMJQPNNLNR-KRWDZBQOSA-N -1 3 371.485 3.215 20 0 FGADHM C[C@@H](F)CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000507015849 503213425 /nfs/dbraw/zinc/21/34/25/503213425.db2.gz BPHOXNSZRNROHN-GFCCVEGCSA-N -1 3 368.405 3.104 20 0 FGADHM CCc1ccccc1O[C@H](C(=O)Nc1nnc(OC)[n-]1)c1ccccc1 ZINC000490743721 503220799 /nfs/dbraw/zinc/22/07/99/503220799.db2.gz GNJBALZAJMIOTN-INIZCTEOSA-N -1 3 352.394 3.135 20 0 FGADHM CCc1ccccc1O[C@H](C(=O)Nc1n[n-]c(OC)n1)c1ccccc1 ZINC000490743721 503220803 /nfs/dbraw/zinc/22/08/03/503220803.db2.gz GNJBALZAJMIOTN-INIZCTEOSA-N -1 3 352.394 3.135 20 0 FGADHM CCc1ccccc1O[C@H](C(=O)Nc1nc(OC)n[n-]1)c1ccccc1 ZINC000490743721 503220808 /nfs/dbraw/zinc/22/08/08/503220808.db2.gz GNJBALZAJMIOTN-INIZCTEOSA-N -1 3 352.394 3.135 20 0 FGADHM COc1ccc(Cl)c(S(=O)(=O)[N-][C@H](C)c2c(F)cncc2F)c1 ZINC000511025812 503237531 /nfs/dbraw/zinc/23/75/31/503237531.db2.gz FSAONAUFEYUQNS-MRVPVSSYSA-N -1 3 362.785 3.061 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)c1c(F)cncc1F ZINC000511033401 503238858 /nfs/dbraw/zinc/23/88/58/503238858.db2.gz SYWKCIOTHBVAPN-ZETCQYMHSA-N -1 3 350.749 3.192 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)c1c(F)cncc1F ZINC000511037406 503240073 /nfs/dbraw/zinc/24/00/73/503240073.db2.gz YTCJWZREUHMZBT-SSDOTTSWSA-N -1 3 350.749 3.192 20 0 FGADHM Cc1c(NC(=O)c2cncc([N-]S(C)(=O)=O)c2)cccc1C(F)(F)F ZINC000502628171 503241677 /nfs/dbraw/zinc/24/16/77/503241677.db2.gz RVRXQGPKOOPWHP-UHFFFAOYSA-N -1 3 373.356 3.033 20 0 FGADHM Cc1cc(C)cc(N2CC[C@@H](C(=O)N3CCCc4cccc([O-])c43)C2=O)c1 ZINC000490901774 503243826 /nfs/dbraw/zinc/24/38/26/503243826.db2.gz QKFQIJGNWJGQAR-GOSISDBHSA-N -1 3 364.445 3.341 20 0 FGADHM Cc1cc(O[C@@H](C)C(=O)N=c2cc(OC(F)F)n(C)[n-]2)ccc1C(C)C ZINC000490924158 503246550 /nfs/dbraw/zinc/24/65/50/503246550.db2.gz GRHNBVTXRUOGKZ-LBPRGKRZSA-N -1 3 367.396 3.281 20 0 FGADHM O=C1NCCN(Cc2cc([O-])cc(C(F)(F)F)c2)[C@H]1c1ccccc1 ZINC000515024109 503252541 /nfs/dbraw/zinc/25/25/41/503252541.db2.gz QZQWOLHZRQFZSF-INIZCTEOSA-N -1 3 350.340 3.084 20 0 FGADHM C[C@@H](C[N-]S(=O)(=O)c1ccc(F)cc1F)COCc1ccccc1 ZINC000507293835 503271635 /nfs/dbraw/zinc/27/16/35/503271635.db2.gz CDUZVAARNSHEEM-ZDUSSCGKSA-N -1 3 355.406 3.096 20 0 FGADHM Cn1cc(C(F)(F)F)nc1[C@@H]1CCCN(C(=O)c2cccc([O-])c2)C1 ZINC000502817253 503279934 /nfs/dbraw/zinc/27/99/34/503279934.db2.gz JLMJGWTZDLGOCF-GFCCVEGCSA-N -1 3 353.344 3.164 20 0 FGADHM COc1ccc(C(=O)Nc2nnc(-c3c(F)cccc3F)[n-]2)c(C)c1OC ZINC000498880700 503282101 /nfs/dbraw/zinc/28/21/01/503282101.db2.gz NTVYCSYFBZDGEW-UHFFFAOYSA-N -1 3 374.347 3.328 20 0 FGADHM COc1ccc(C(=O)Nc2nc(-c3c(F)cccc3F)n[n-]2)c(C)c1OC ZINC000498880700 503282102 /nfs/dbraw/zinc/28/21/02/503282102.db2.gz NTVYCSYFBZDGEW-UHFFFAOYSA-N -1 3 374.347 3.328 20 0 FGADHM COc1ccc(C(=O)Nc2n[n-]c(-c3c(F)cccc3F)n2)c(C)c1OC ZINC000498880700 503282104 /nfs/dbraw/zinc/28/21/04/503282104.db2.gz NTVYCSYFBZDGEW-UHFFFAOYSA-N -1 3 374.347 3.328 20 0 FGADHM O=C([N-]c1cc2c(cc1F)CCC(=O)N2)c1cc(-c2cccnc2)on1 ZINC000515157632 503282173 /nfs/dbraw/zinc/28/21/73/503282173.db2.gz ZFPUZRXAPGEDPF-UHFFFAOYSA-N -1 3 352.325 3.013 20 0 FGADHM COC(=O)CC1([N-]S(=O)(=O)c2ccc(C(C)(C)C)s2)CCCC1 ZINC000511224097 503283199 /nfs/dbraw/zinc/28/31/99/503283199.db2.gz UCOFOOPUCGLQGI-UHFFFAOYSA-N -1 3 359.513 3.200 20 0 FGADHM C[C@H](COc1ccccc1)C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000511277446 503291969 /nfs/dbraw/zinc/29/19/69/503291969.db2.gz NEDSWNNQHVMXJL-GFCCVEGCSA-N -1 3 374.238 3.172 20 0 FGADHM CC(C)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cncc(Br)c2)C1 ZINC000507509672 503311540 /nfs/dbraw/zinc/31/15/40/503311540.db2.gz UKXLIVKIPODSMC-DGCLKSJQSA-N -1 3 361.305 3.337 20 0 FGADHM Cc1nc(C)c(CC(=O)Nc2ccc(Cl)cc2OCC(F)F)c(=O)[n-]1 ZINC000491482523 503312162 /nfs/dbraw/zinc/31/21/62/503312162.db2.gz BMNZDYNPJJHPJW-UHFFFAOYSA-N -1 3 371.771 3.278 20 0 FGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)c1cc2c(s1)CCC2 ZINC000511392738 503313056 /nfs/dbraw/zinc/31/30/56/503313056.db2.gz XOEYFZGXRCAAEC-UHFFFAOYSA-N -1 3 362.252 3.321 20 0 FGADHM Cc1ccc(Cl)c(O[C@H](C)C(=O)N=c2cc(-c3ccncc3)[n-][nH]2)c1 ZINC000502964739 503315316 /nfs/dbraw/zinc/31/53/16/503315316.db2.gz JJIAZCDWQMOMGZ-GFCCVEGCSA-N -1 3 356.813 3.261 20 0 FGADHM C[C@@]1(C[N-]S(=O)(=O)c2cc(Cl)ccc2OCCC2CC2)CCCO1 ZINC000491534758 503316962 /nfs/dbraw/zinc/31/69/62/503316962.db2.gz WUFJNWZBQQJXSW-KRWDZBQOSA-N -1 3 373.902 3.366 20 0 FGADHM O=C(Nc1ccc(F)c(Br)c1)c1cc(F)cc2[n-]nnc21 ZINC000502989195 503319940 /nfs/dbraw/zinc/31/99/40/503319940.db2.gz GUELVJBVGLVOJQ-UHFFFAOYSA-N -1 3 353.126 3.251 20 0 FGADHM O=C(Nc1ccc(F)c(Br)c1)c1cc(F)cc2nn[n-]c21 ZINC000502989195 503319944 /nfs/dbraw/zinc/31/99/44/503319944.db2.gz GUELVJBVGLVOJQ-UHFFFAOYSA-N -1 3 353.126 3.251 20 0 FGADHM O=C(Nc1ccc(F)c(Br)c1)c1cc(F)cc2n[n-]nc21 ZINC000502989195 503319946 /nfs/dbraw/zinc/31/99/46/503319946.db2.gz GUELVJBVGLVOJQ-UHFFFAOYSA-N -1 3 353.126 3.251 20 0 FGADHM CCc1cccc(C=C([O-])Nc2nc(-c3cccc(OC)c3)ns2)c1 ZINC000503002961 503322072 /nfs/dbraw/zinc/32/20/72/503322072.db2.gz QGAAPVPWGSAXQC-UHFFFAOYSA-N -1 3 353.447 3.379 20 0 FGADHM O=C([N-]c1nncn1-c1ccccc1)C1(Oc2ccc(Cl)cc2)CC1 ZINC000503007279 503322627 /nfs/dbraw/zinc/32/26/27/503322627.db2.gz CPNNMAUFHDVGMW-UHFFFAOYSA-N -1 3 354.797 3.471 20 0 FGADHM Cc1[nH]c2c(cc(C)cc2CNC(=O)c2cc(F)cc3nn[n-]c32)c1C ZINC000503157874 503357257 /nfs/dbraw/zinc/35/72/57/503357257.db2.gz JLPXTIZNVPYPMI-UHFFFAOYSA-N -1 3 351.385 3.434 20 0 FGADHM Cc1[nH]c2c(cc(C)cc2CNC(=O)c2cc(F)cc3[n-]nnc32)c1C ZINC000503157874 503357260 /nfs/dbraw/zinc/35/72/60/503357260.db2.gz JLPXTIZNVPYPMI-UHFFFAOYSA-N -1 3 351.385 3.434 20 0 FGADHM Cc1[nH]c2c(cc(C)cc2CNC(=O)c2cc(F)cc3n[n-]nc32)c1C ZINC000503157874 503357263 /nfs/dbraw/zinc/35/72/63/503357263.db2.gz JLPXTIZNVPYPMI-UHFFFAOYSA-N -1 3 351.385 3.434 20 0 FGADHM O=C(CCCS(=O)(=O)c1ccc(Cl)cc1)Nc1ccccc1[O-] ZINC000507774357 503363571 /nfs/dbraw/zinc/36/35/71/503363571.db2.gz XHFVQFANIIOCHN-UHFFFAOYSA-N -1 3 353.827 3.238 20 0 FGADHM CN(C(=O)c1cc(F)cc2[n-]nnc21)c1cccc(OC(F)(F)F)c1 ZINC000503290730 503384798 /nfs/dbraw/zinc/38/47/98/503384798.db2.gz MOVUMSMXDNYCAJ-UHFFFAOYSA-N -1 3 354.263 3.272 20 0 FGADHM CN(C(=O)c1cc(F)cc2nn[n-]c21)c1cccc(OC(F)(F)F)c1 ZINC000503290730 503384801 /nfs/dbraw/zinc/38/48/01/503384801.db2.gz MOVUMSMXDNYCAJ-UHFFFAOYSA-N -1 3 354.263 3.272 20 0 FGADHM CN(C(=O)c1cc(F)cc2n[n-]nc21)c1cccc(OC(F)(F)F)c1 ZINC000503290730 503384802 /nfs/dbraw/zinc/38/48/02/503384802.db2.gz MOVUMSMXDNYCAJ-UHFFFAOYSA-N -1 3 354.263 3.272 20 0 FGADHM CCc1cccc2c1OCC[C@@H]2[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000507870435 503385056 /nfs/dbraw/zinc/38/50/56/503385056.db2.gz PFJNQWPONWVGHL-HNNXBMFYSA-N -1 3 353.390 3.329 20 0 FGADHM COC(=O)c1cc(C(C)C)ccc1NC(=O)c1cc(F)cc2[n-]nnc21 ZINC000503295947 503385512 /nfs/dbraw/zinc/38/55/12/503385512.db2.gz IGINUGKUISFZGF-UHFFFAOYSA-N -1 3 356.357 3.259 20 0 FGADHM COC(=O)c1cc(C(C)C)ccc1NC(=O)c1cc(F)cc2nn[n-]c21 ZINC000503295947 503385514 /nfs/dbraw/zinc/38/55/14/503385514.db2.gz IGINUGKUISFZGF-UHFFFAOYSA-N -1 3 356.357 3.259 20 0 FGADHM COC(=O)c1cc(C(C)C)ccc1NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000503295947 503385517 /nfs/dbraw/zinc/38/55/17/503385517.db2.gz IGINUGKUISFZGF-UHFFFAOYSA-N -1 3 356.357 3.259 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)c(C)c2F)cn1 ZINC000507908929 503393184 /nfs/dbraw/zinc/39/31/84/503393184.db2.gz OLRGWLVNQDAESD-UHFFFAOYSA-N -1 3 359.220 3.401 20 0 FGADHM Cc1noc(-c2ccccc2)c1[N-]C(=O)c1nn(C)cc1Br ZINC000499396840 503394763 /nfs/dbraw/zinc/39/47/63/503394763.db2.gz 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/nfs/dbraw/zinc/19/69/06/504196906.db2.gz OVBPJGDPPPYXLT-DZGCQCFKSA-N -1 3 359.900 3.384 20 0 FGADHM COc1cccc(OC(F)(F)F)c1S(=O)(=O)[N-][C@]1(C)CC=CCC1 ZINC000528412444 504213263 /nfs/dbraw/zinc/21/32/63/504213263.db2.gz CDBVKNAHDGDNON-CQSZACIVSA-N -1 3 365.373 3.371 20 0 FGADHM COC(=O)[C@H](NCc1ccc([O-])c2nc(C)ccc12)[C@H]1CCC[C@H](OC)C1 ZINC000519409029 504214380 /nfs/dbraw/zinc/21/43/80/504214380.db2.gz QSUZSUMSYYFOAA-URLQWDBASA-N -1 3 372.465 3.085 20 0 FGADHM COc1cccc([C@H](C[N-]S(=O)(=O)c2cccc(Cl)c2F)OC)c1 ZINC000528450578 504229310 /nfs/dbraw/zinc/22/93/10/504229310.db2.gz VDTSNIGMRIFSSC-AWEZNQCLSA-N -1 3 373.833 3.154 20 0 FGADHM O=S(=O)([N-][C@@H]1CC[C@H]2CCCC[C@@H]2C1)c1cncc(Br)c1 ZINC000519486235 504231567 /nfs/dbraw/zinc/23/15/67/504231567.db2.gz TWVNTUBOEAQFHH-YRGRVCCFSA-N -1 3 373.316 3.481 20 0 FGADHM O=C(Nc1ccc([O-])cc1F)[C@@H]1C[C@H]2CCCC[C@@H]2N1c1ncccn1 ZINC000547810026 504233528 /nfs/dbraw/zinc/23/35/28/504233528.db2.gz KLAKUTMTLJHPSA-DQYPLSBCSA-N -1 3 356.401 3.098 20 0 FGADHM CC(C)(C)c1ccc(-c2nc([N-]C(=O)c3cnn4cccnc34)n[nH]2)cc1 ZINC000519512492 504235917 /nfs/dbraw/zinc/23/59/17/504235917.db2.gz PGENMZBYENZJHW-UHFFFAOYSA-N -1 3 361.409 3.064 20 0 FGADHM C[C@H]1C[C@@H]1c1ccc(CNCC[N-]S(=O)(=O)c2ccc(Cl)s2)o1 ZINC000538427527 504243931 /nfs/dbraw/zinc/24/39/31/504243931.db2.gz YKFKTDJQVMAPME-JQWIXIFHSA-N -1 3 374.915 3.186 20 0 FGADHM COc1cc(=NC(=O)NCC2(c3ccccc3C)CCCCC2)[n-]n1C ZINC000547839159 504244023 /nfs/dbraw/zinc/24/40/23/504244023.db2.gz KWZJFSAECFEMRY-UHFFFAOYSA-N -1 3 356.470 3.183 20 0 FGADHM Cc1cc(F)c(S(=O)(=O)[N-][C@@H](c2ccccn2)C2CCC2)cc1F ZINC000528500998 504248999 /nfs/dbraw/zinc/24/89/99/504248999.db2.gz XYGFADRKRFBRLY-QGZVFWFLSA-N -1 3 352.406 3.488 20 0 FGADHM C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[N-]S(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000528544908 504266734 /nfs/dbraw/zinc/26/67/34/504266734.db2.gz BOGRWFDGAGUPAA-QOBXEIRBSA-N -1 3 352.283 3.225 20 0 FGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)cc1Cl ZINC000528545409 504267935 /nfs/dbraw/zinc/26/79/35/504267935.db2.gz CYNSOFRQOQXCTO-JWUFEOHASA-N -1 3 368.282 3.092 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1cc2c(c(Cl)c1)O[C@H](C)C2)c1ncccc1F ZINC000528573571 504277196 /nfs/dbraw/zinc/27/71/96/504277196.db2.gz JJIIMROFVMJKJO-ZJUUUORDSA-N -1 3 370.833 3.237 20 0 FGADHM C[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000547971439 504278710 /nfs/dbraw/zinc/27/87/10/504278710.db2.gz POKYRBAEGDUSFT-UMVBOHGHSA-N -1 3 373.902 3.222 20 0 FGADHM O=C(Cc1ccc(F)cc1)N1CCC[C@H](C(=O)Nc2cc(F)ccc2[O-])C1 ZINC000531373310 504282758 /nfs/dbraw/zinc/28/27/58/504282758.db2.gz PLGPJCLEYPIARE-AWEZNQCLSA-N -1 3 374.387 3.090 20 0 FGADHM COc1ccc([C@H]([N-]S(=O)(=O)c2c(F)cccc2Cl)C2CC2)cn1 ZINC000528589244 504285107 /nfs/dbraw/zinc/28/51/07/504285107.db2.gz DKHIJOYRJKRWPC-OAHLLOKOSA-N -1 3 370.833 3.312 20 0 FGADHM Cc1ccc([C@H]2COCCN2C(=O)c2cc([O-])cc(Br)c2)o1 ZINC000528598007 504290198 /nfs/dbraw/zinc/29/01/98/504290198.db2.gz HTYJUNPXABYQKI-CQSZACIVSA-N -1 3 366.211 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/nfs/dbraw/zinc/33/04/13/504330413.db2.gz UISWIKOQUBUBOB-UHFFFAOYSA-N -1 3 352.394 3.014 20 0 FGADHM CCOC(=O)c1nc(C)[n-]c1NC(=O)CCc1cnc2ccccc2c1 ZINC000548099793 504330418 /nfs/dbraw/zinc/33/04/18/504330418.db2.gz UISWIKOQUBUBOB-UHFFFAOYSA-N -1 3 352.394 3.014 20 0 FGADHM COc1cccc(/C=C\c2nc(-c3ccc([N-]S(C)(=O)=O)cc3)no2)c1 ZINC000545022020 504333806 /nfs/dbraw/zinc/33/38/06/504333806.db2.gz AKUZUUWYLCFISK-WDZFZDKYSA-N -1 3 371.418 3.287 20 0 FGADHM O=C(c1cn(-c2ccc(Cl)cc2)nn1)N1CCCc2cccc([O-])c21 ZINC000538715398 504339740 /nfs/dbraw/zinc/33/97/40/504339740.db2.gz BMZBTEVTSHMAEC-UHFFFAOYSA-N -1 3 354.797 3.219 20 0 FGADHM Cc1nc(-c2ccc(NC(=O)N3CC(F)(F)C(F)(F)C3)cc2)cc(=O)[n-]1 ZINC000519811086 504349139 /nfs/dbraw/zinc/34/91/39/504349139.db2.gz NBLRBVPHLGJYSM-UHFFFAOYSA-N -1 3 370.306 3.276 20 0 FGADHM C[C@]1(c2cccc(-c3noc([C@@H]4CC45CCCCC5)n3)c2)NC(=O)[N-]C1=O ZINC000545085791 504354029 /nfs/dbraw/zinc/35/40/29/504354029.db2.gz HEIRPVPJMMEEFZ-IFXJQAMLSA-N -1 3 366.421 3.229 20 0 FGADHM 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CCOC(=O)c1nc[n-]c1NC(=O)c1ccc(COc2ccccc2)cc1 ZINC000538856199 504395369 /nfs/dbraw/zinc/39/53/69/504395369.db2.gz UVSVWFFKDNLFRT-UHFFFAOYSA-N -1 3 365.389 3.418 20 0 FGADHM O=C(c1cc(=O)c2cc(Br)ccc2[n-]1)N1CC2(C1)CCCC2 ZINC000548317459 504396816 /nfs/dbraw/zinc/39/68/16/504396816.db2.gz BXYUOQRILOFLIT-UHFFFAOYSA-N -1 3 361.239 3.307 20 0 FGADHM CC(C)(C)c1ccc(NC(=O)c2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)cc1 ZINC000531768012 504418290 /nfs/dbraw/zinc/41/82/90/504418290.db2.gz GGYYFZJPOKTSCZ-NRFANRHFSA-N -1 3 365.433 3.291 20 0 FGADHM Cc1ncc(CNC(=O)NCC2(Cc3ccccc3)CCCC2)c(=O)[n-]1 ZINC000542240746 504419389 /nfs/dbraw/zinc/41/93/89/504419389.db2.gz RGRABUGFCXROAS-UHFFFAOYSA-N -1 3 354.454 3.093 20 0 FGADHM O=c1[n-]c(Sc2ccc(CO)cc2)nc2c1cnn2-c1ccccc1 ZINC000542259061 504427061 /nfs/dbraw/zinc/42/70/61/504427061.db2.gz GGPCUTGPIXLICM-UHFFFAOYSA-N -1 3 350.403 3.165 20 0 FGADHM CCC[C@H](C)N1C[C@@H](C(=O)Nc2cc(Br)ccc2[O-])CC1=O ZINC000535413227 504427646 /nfs/dbraw/zinc/42/76/46/504427646.db2.gz 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ZINC000531911439 504468895 /nfs/dbraw/zinc/46/88/95/504468895.db2.gz IKTSFBIACPHAFL-MRXNPFEDSA-N -1 3 354.431 3.264 20 0 FGADHM Cc1ncc(CNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)c(=O)[n-]1 ZINC000542385567 504470130 /nfs/dbraw/zinc/47/01/30/504470130.db2.gz KWQOCGWLFUXUAO-QWHCGFSZSA-N -1 3 352.221 3.217 20 0 FGADHM O=C(c1cc([O-])cc(Br)c1)N1CCC[C@H]1C1CCOCC1 ZINC000528976076 504478672 /nfs/dbraw/zinc/47/86/72/504478672.db2.gz ULRIDIFBIMURIF-HNNXBMFYSA-N -1 3 354.244 3.186 20 0 FGADHM CC(C)c1ccccc1OCCNC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000520366278 504479682 /nfs/dbraw/zinc/47/96/82/504479682.db2.gz IIYJNGNEXQKPNU-UHFFFAOYSA-N -1 3 350.418 3.460 20 0 FGADHM O=c1nc(-c2ccc(Cl)s2)[n-]c2sc3c(c21)CCS(=O)(=O)C3 ZINC000520400295 504490297 /nfs/dbraw/zinc/49/02/97/504490297.db2.gz WMLVGDFULVSRTA-UHFFFAOYSA-N -1 3 372.880 3.250 20 0 FGADHM CC1(C)CN(C2(CN=c3[n-]nc(C4CC4)s3)CCCCC2)CCO1 ZINC000539187703 504493909 /nfs/dbraw/zinc/49/39/09/504493909.db2.gz PMAFLKDDQYTWEZ-UHFFFAOYSA-N -1 3 350.532 3.063 20 0 FGADHM CCN(CC)[C@H](CN=c1[n-]nc(-c2ccccn2)s1)Cc1ccccc1 ZINC000545484523 504503669 /nfs/dbraw/zinc/50/36/69/504503669.db2.gz WKCHOCNVJPVOOE-KRWDZBQOSA-N -1 3 367.522 3.387 20 0 FGADHM COc1ccc(CN(C)C[C@@H]2CCCC[C@@H]2O)c(Br)c1[O-] ZINC000545491262 504505262 /nfs/dbraw/zinc/50/52/62/504505262.db2.gz GEXKBQJXAKYIBL-AAEUAGOBSA-N -1 3 358.276 3.146 20 0 FGADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CC(C)C3)c2)cc1 ZINC000548716111 504538490 /nfs/dbraw/zinc/53/84/90/504538490.db2.gz RFHQHPPBQKGGRI-UHFFFAOYSA-N -1 3 358.463 3.196 20 0 FGADHM CC(C)(C)c1cnc(CNC(=O)Cc2ccc(Br)cc2[O-])o1 ZINC000548733289 504546479 /nfs/dbraw/zinc/54/64/79/504546479.db2.gz OGDXMSDXBUZSMH-UHFFFAOYSA-N -1 3 367.243 3.299 20 0 FGADHM CS(=O)(=O)[N-]c1ccc(-c2noc(-c3cnc(C4CC4)s3)n2)cc1 ZINC000545629712 504547126 /nfs/dbraw/zinc/54/71/26/504547126.db2.gz VWRHGKZWWWPODE-UHFFFAOYSA-N -1 3 362.436 3.109 20 0 FGADHM Cc1scnc1NC(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000529142690 504550475 /nfs/dbraw/zinc/55/04/75/504550475.db2.gz 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372.375 3.006 20 0 FGADHM O=C(N=c1cc([C@H]2CCCOC2)[nH][nH]1)c1cc([O-])cc(Br)c1 ZINC000529220330 562365448 /nfs/dbraw/zinc/36/54/48/562365448.db2.gz CEZWBNWSAISFIR-VIFPVBQESA-N -1 3 366.215 3.024 20 0 FGADHM COc1ccc(S(=O)(=O)[N-][C@H]2CCC(F)(F)C2)c(Cl)c1Cl ZINC000675637219 567987642 /nfs/dbraw/zinc/98/76/42/567987642.db2.gz VFEVXYVKAJOARC-ZETCQYMHSA-N -1 3 360.209 3.468 20 0 FGADHM CC[C@H](C)C[C@H]1NC(=O)N(c2ccc(-c3cc(=O)[n-]c(C)n3)cc2)C1=O ZINC000563142853 568291105 /nfs/dbraw/zinc/29/11/05/568291105.db2.gz PYOKXPYBWSPEHW-MEDUHNTESA-N -1 3 354.410 3.019 20 0 FGADHM CC(=O)c1cc(F)c([N-]C(=O)c2cn3c(n2)C[C@@H](C)CC3)c(F)c1F ZINC000637071461 568340578 /nfs/dbraw/zinc/34/05/78/568340578.db2.gz VQDYBQSQUDAVEA-QMMMGPOBSA-N -1 3 351.328 3.338 20 0 FGADHM C[C@]1(c2ccccc2)CCCN(C(=O)C=Cc2ccccc2-c2nnn[n-]2)C1 ZINC000736227427 598826950 /nfs/dbraw/zinc/82/69/50/598826950.db2.gz DGMOQQSJSCDSBY-GNNUASRNSA-N -1 3 373.460 3.460 20 0 FGADHM C[C@]1(c2ccccc2)CCCN(C(=O)C=Cc2ccccc2-c2nn[n-]n2)C1 ZINC000736227427 598826951 /nfs/dbraw/zinc/82/69/51/598826951.db2.gz DGMOQQSJSCDSBY-GNNUASRNSA-N -1 3 373.460 3.460 20 0 FGADHM CCOc1ccc(N(C)C(=S)Nc2ccccc2-c2nnn[n-]2)cc1 ZINC000736644857 598827533 /nfs/dbraw/zinc/82/75/33/598827533.db2.gz RXQWNOWXAGDZLH-UHFFFAOYSA-N -1 3 354.439 3.099 20 0 FGADHM CCOc1ccc(N(C)C(=S)Nc2ccccc2-c2nn[n-]n2)cc1 ZINC000736644857 598827535 /nfs/dbraw/zinc/82/75/35/598827535.db2.gz RXQWNOWXAGDZLH-UHFFFAOYSA-N -1 3 354.439 3.099 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@@H](C)c1cccc(C)c1 ZINC000736625584 598829343 /nfs/dbraw/zinc/82/93/43/598829343.db2.gz CVTQIZNLRALNHZ-ZDUSSCGKSA-N -1 3 352.394 3.283 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@@H](C)c1cccc(C)c1 ZINC000736625584 598829345 /nfs/dbraw/zinc/82/93/45/598829345.db2.gz CVTQIZNLRALNHZ-ZDUSSCGKSA-N -1 3 352.394 3.283 20 0 FGADHM O=C(C[C@H]1CCOC1)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737824485 598831957 /nfs/dbraw/zinc/83/19/57/598831957.db2.gz VQMKNLHPFYHITD-CYBMUJFWSA-N -1 3 365.393 3.024 20 0 FGADHM O=C(C[C@H]1CCOC1)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737824485 598831959 /nfs/dbraw/zinc/83/19/59/598831959.db2.gz VQMKNLHPFYHITD-CYBMUJFWSA-N -1 3 365.393 3.024 20 0 FGADHM CCCSCC(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000736498492 598833578 /nfs/dbraw/zinc/83/35/78/598833578.db2.gz UBGWBKCKVGIXKA-UHFFFAOYSA-N -1 3 373.507 3.355 20 0 FGADHM CC(C)[C@H](C)CNC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000735700410 598837045 /nfs/dbraw/zinc/83/70/45/598837045.db2.gz GFUBXMMGYNRBBL-CYBMUJFWSA-N -1 3 369.425 3.061 20 0 FGADHM CC(C)[C@H](C)CNC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000735700410 598837047 /nfs/dbraw/zinc/83/70/47/598837047.db2.gz GFUBXMMGYNRBBL-CYBMUJFWSA-N -1 3 369.425 3.061 20 0 FGADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NC1C[C@H](C)C[C@@H](C)C1 ZINC000736222536 598838115 /nfs/dbraw/zinc/83/81/15/598838115.db2.gz DFWLTOUMPGKLKN-HBUWYVDXSA-N -1 3 371.485 3.211 20 0 FGADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NC1C[C@H](C)C[C@@H](C)C1 ZINC000736222536 598838116 /nfs/dbraw/zinc/83/81/16/598838116.db2.gz DFWLTOUMPGKLKN-HBUWYVDXSA-N -1 3 371.485 3.211 20 0 FGADHM CCC[C@@H](C)CC(=O)Nc1c(C)c(C)nn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000736422618 598838708 /nfs/dbraw/zinc/83/87/08/598838708.db2.gz JLZXIKYOANYMRS-GFCCVEGCSA-N -1 3 367.457 3.434 20 0 FGADHM CC[C@@H](c1ccncc1)N(CC)C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000736395979 598838713 /nfs/dbraw/zinc/83/87/13/598838713.db2.gz KXCHBTJNIUIZAT-SFHVURJKSA-N -1 3 364.453 3.194 20 0 FGADHM CC[C@@H](c1ccncc1)N(CC)C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000736395979 598838714 /nfs/dbraw/zinc/83/87/14/598838714.db2.gz KXCHBTJNIUIZAT-SFHVURJKSA-N -1 3 364.453 3.194 20 0 FGADHM COC(=O)[C@H](N[C@H](C)c1ccc(C)cc1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736899687 598882331 /nfs/dbraw/zinc/88/23/31/598882331.db2.gz ZAFHTPWLPDTAEG-RDTXWAMCSA-N -1 3 365.437 3.048 20 0 FGADHM COC(=O)[C@H](N[C@H](C)c1ccc(C)cc1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736899687 598882332 /nfs/dbraw/zinc/88/23/32/598882332.db2.gz ZAFHTPWLPDTAEG-RDTXWAMCSA-N -1 3 365.437 3.048 20 0 FGADHM Cc1cc(C(=O)O[C@@H](C)COc2cccc(-c3nnn[n-]3)c2)c(C)s1 ZINC000737238763 598883974 /nfs/dbraw/zinc/88/39/74/598883974.db2.gz SFBPAGJGKQLZLS-JTQLQIEISA-N -1 3 358.423 3.169 20 0 FGADHM Cc1cc(C(=O)O[C@@H](C)COc2cccc(-c3nn[n-]n3)c2)c(C)s1 ZINC000737238763 598883975 /nfs/dbraw/zinc/88/39/75/598883975.db2.gz SFBPAGJGKQLZLS-JTQLQIEISA-N -1 3 358.423 3.169 20 0 FGADHM CC[C@@H](C(=O)O[C@@H](C)COc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000736313533 598885091 /nfs/dbraw/zinc/88/50/91/598885091.db2.gz MTVDCGLIKNULIV-KBXCAEBGSA-N -1 3 366.421 3.371 20 0 FGADHM CC[C@@H](C(=O)O[C@@H](C)COc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000736313533 598885092 /nfs/dbraw/zinc/88/50/92/598885092.db2.gz MTVDCGLIKNULIV-KBXCAEBGSA-N -1 3 366.421 3.371 20 0 FGADHM CCCCOC(=O)CSc1nc(-c2ccccc2)ccc1-c1nnn[n-]1 ZINC000736460064 598901863 /nfs/dbraw/zinc/90/18/63/598901863.db2.gz KAOJKMJBQIPRMN-UHFFFAOYSA-N -1 3 369.450 3.364 20 0 FGADHM CCCCOC(=O)CSc1nc(-c2ccccc2)ccc1-c1nn[n-]n1 ZINC000736460064 598901866 /nfs/dbraw/zinc/90/18/66/598901866.db2.gz KAOJKMJBQIPRMN-UHFFFAOYSA-N -1 3 369.450 3.364 20 0 FGADHM CC[C@H]1c2ccccc2CCN1C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000736408204 598908264 /nfs/dbraw/zinc/90/82/64/598908264.db2.gz QXRQENAYGLIHBB-IBGZPJMESA-N -1 3 361.449 3.335 20 0 FGADHM CC[C@H]1c2ccccc2CCN1C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000736408204 598908265 /nfs/dbraw/zinc/90/82/65/598908265.db2.gz QXRQENAYGLIHBB-IBGZPJMESA-N -1 3 361.449 3.335 20 0 FGADHM CN(C(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)c1cccnc1 ZINC000736741832 598910594 /nfs/dbraw/zinc/91/05/94/598910594.db2.gz UECDUWYQVATXSZ-UHFFFAOYSA-N -1 3 372.388 3.331 20 0 FGADHM O=C(Nc1ccnc(Oc2ccccc2)c1)c1sccc1-c1nnn[n-]1 ZINC000738195271 598910790 /nfs/dbraw/zinc/91/07/90/598910790.db2.gz BZQZNCBPWYRCNI-UHFFFAOYSA-N -1 3 364.390 3.368 20 0 FGADHM O=C(Nc1ccnc(Oc2ccccc2)c1)c1sccc1-c1nn[n-]n1 ZINC000738195271 598910791 /nfs/dbraw/zinc/91/07/91/598910791.db2.gz BZQZNCBPWYRCNI-UHFFFAOYSA-N -1 3 364.390 3.368 20 0 FGADHM CC(C)(C)OC(=O)N1CC[C@H](CSc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000735627696 598912081 /nfs/dbraw/zinc/91/20/81/598912081.db2.gz ONCHAQUFZIUQFA-LBPRGKRZSA-N -1 3 361.471 3.216 20 0 FGADHM CC(C)(C)OC(=O)N1CC[C@H](CSc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000735627696 598912084 /nfs/dbraw/zinc/91/20/84/598912084.db2.gz ONCHAQUFZIUQFA-LBPRGKRZSA-N -1 3 361.471 3.216 20 0 FGADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)N1CCC[C@@]2(CC=CCC2)C1 ZINC000737854358 598913530 /nfs/dbraw/zinc/91/35/30/598913530.db2.gz YMUJJVCKNLANJF-FQEVSTJZSA-N -1 3 351.454 3.148 20 0 FGADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)N1CCC[C@@]2(CC=CCC2)C1 ZINC000737854358 598913531 /nfs/dbraw/zinc/91/35/31/598913531.db2.gz YMUJJVCKNLANJF-FQEVSTJZSA-N -1 3 351.454 3.148 20 0 FGADHM COc1cc(F)c([C@@H](C)Nc2ccc(-c3nn[n-]n3)cc2F)cc1OC ZINC000737053750 598914074 /nfs/dbraw/zinc/91/40/74/598914074.db2.gz LSJJZJDQEJSAAC-SECBINFHSA-N -1 3 361.352 3.335 20 0 FGADHM CC(C)[C@@H]1CCCN(C(=O)CSc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000735748110 598928528 /nfs/dbraw/zinc/92/85/28/598928528.db2.gz HXPJPHUETMSKAR-CQSZACIVSA-N -1 3 359.499 3.244 20 0 FGADHM CC(C)[C@@H]1CCCN(C(=O)CSc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735748110 598928530 /nfs/dbraw/zinc/92/85/30/598928530.db2.gz HXPJPHUETMSKAR-CQSZACIVSA-N -1 3 359.499 3.244 20 0 FGADHM CC(C)[C@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)Nc1ccccc1 ZINC000735709073 598936716 /nfs/dbraw/zinc/93/67/16/598936716.db2.gz OMJQZWHWVJLJEE-HNNXBMFYSA-N -1 3 357.849 3.464 20 0 FGADHM CC(C)[C@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)Nc1ccccc1 ZINC000735709073 598936717 /nfs/dbraw/zinc/93/67/17/598936717.db2.gz OMJQZWHWVJLJEE-HNNXBMFYSA-N -1 3 357.849 3.464 20 0 FGADHM Clc1cc(-c2nnn[n-]2)cnc1Nc1cccc(OC[C@H]2CCCO2)c1 ZINC000737559437 598937323 /nfs/dbraw/zinc/93/73/23/598937323.db2.gz XLXCNWRAXRCCKV-CQSZACIVSA-N -1 3 372.816 3.217 20 0 FGADHM Clc1cc(-c2nn[n-]n2)cnc1Nc1cccc(OC[C@H]2CCCO2)c1 ZINC000737559437 598937324 /nfs/dbraw/zinc/93/73/24/598937324.db2.gz XLXCNWRAXRCCKV-CQSZACIVSA-N -1 3 372.816 3.217 20 0 FGADHM C[C@@H]1C[C@@H](C)N(C(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)C1 ZINC000736231246 598951856 /nfs/dbraw/zinc/95/18/56/598951856.db2.gz WMJWXOWCTOYMBX-ZIAGYGMSSA-N -1 3 362.437 3.481 20 0 FGADHM OCC[C@H](Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1cccs1 ZINC000738394629 598977632 /nfs/dbraw/zinc/97/76/32/598977632.db2.gz TWRVFKIWUMISBY-LBPRGKRZSA-N -1 3 369.372 3.483 20 0 FGADHM OCC[C@H](Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1cccs1 ZINC000738394629 598977634 /nfs/dbraw/zinc/97/76/34/598977634.db2.gz TWRVFKIWUMISBY-LBPRGKRZSA-N -1 3 369.372 3.483 20 0 FGADHM OCC[C@@H](Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccccc1 ZINC000738397189 598978686 /nfs/dbraw/zinc/97/86/86/598978686.db2.gz OBRGDDJBZRBSIH-OAHLLOKOSA-N -1 3 363.343 3.421 20 0 FGADHM OCC[C@@H](Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccccc1 ZINC000738397189 598978688 /nfs/dbraw/zinc/97/86/88/598978688.db2.gz OBRGDDJBZRBSIH-OAHLLOKOSA-N -1 3 363.343 3.421 20 0 FGADHM Cc1c(N[C@@H]2CCN(c3ccccc3Cl)C2=O)cccc1-c1nnn[n-]1 ZINC000822115293 607256373 /nfs/dbraw/zinc/25/63/73/607256373.db2.gz AGPSKLFHPRYVMD-OAHLLOKOSA-N -1 3 368.828 3.046 20 0 FGADHM Cc1c(N[C@@H]2CCN(c3ccccc3Cl)C2=O)cccc1-c1nn[n-]n1 ZINC000822115293 607256374 /nfs/dbraw/zinc/25/63/74/607256374.db2.gz AGPSKLFHPRYVMD-OAHLLOKOSA-N -1 3 368.828 3.046 20 0 FGADHM CC[C@@H](C)N(C)C(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000736323188 598989474 /nfs/dbraw/zinc/98/94/74/598989474.db2.gz VNJBOVJFKXEGOQ-CQSZACIVSA-N -1 3 365.437 3.316 20 0 FGADHM CC[C@@H](C)N(C)C(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000736323188 598989476 /nfs/dbraw/zinc/98/94/76/598989476.db2.gz VNJBOVJFKXEGOQ-CQSZACIVSA-N -1 3 365.437 3.316 20 0 FGADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NC[C@@H](C)C(C)(C)C ZINC000735736300 599006732 /nfs/dbraw/zinc/00/67/32/599006732.db2.gz RQRYOYPOFXFSSU-CZUORRHYSA-N -1 3 359.474 3.069 20 0 FGADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NC[C@@H](C)C(C)(C)C ZINC000735736300 599006734 /nfs/dbraw/zinc/00/67/34/599006734.db2.gz RQRYOYPOFXFSSU-CZUORRHYSA-N -1 3 359.474 3.069 20 0 FGADHM C[C@@H](CNC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)C(C)(C)C ZINC000736008734 599007025 /nfs/dbraw/zinc/00/70/25/599007025.db2.gz RUKWOFUPCLTUEZ-AWEZNQCLSA-N -1 3 359.474 3.214 20 0 FGADHM C[C@@H](CNC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)C(C)(C)C ZINC000736008734 599007026 /nfs/dbraw/zinc/00/70/26/599007026.db2.gz RUKWOFUPCLTUEZ-AWEZNQCLSA-N -1 3 359.474 3.214 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)C[C@H]1CCc2ccccc21 ZINC000736628601 599015324 /nfs/dbraw/zinc/01/53/24/599015324.db2.gz RCMOUQLKNZMWPX-CQSZACIVSA-N -1 3 364.405 3.291 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)C[C@H]1CCc2ccccc21 ZINC000736628601 599015326 /nfs/dbraw/zinc/01/53/26/599015326.db2.gz RCMOUQLKNZMWPX-CQSZACIVSA-N -1 3 364.405 3.291 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)C[C@@H]1CCc2ccccc21 ZINC000736628600 599015606 /nfs/dbraw/zinc/01/56/06/599015606.db2.gz RCMOUQLKNZMWPX-AWEZNQCLSA-N -1 3 364.405 3.291 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)C[C@@H]1CCc2ccccc21 ZINC000736628600 599015607 /nfs/dbraw/zinc/01/56/07/599015607.db2.gz RCMOUQLKNZMWPX-AWEZNQCLSA-N -1 3 364.405 3.291 20 0 FGADHM Cc1cccc([C@@H](C)NC(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)c1C ZINC000737391288 599018791 /nfs/dbraw/zinc/01/87/91/599018791.db2.gz ZKOJSPIFFQVIGI-HUUCEWRRSA-N -1 3 365.437 3.128 20 0 FGADHM CCO[C@@H]1C[C@H](OC(=O)CCc2ccc(-c3nnn[n-]3)cc2)C12CCCC2 ZINC000736615444 599028226 /nfs/dbraw/zinc/02/82/26/599028226.db2.gz YBHIXSLHLFHRMV-SJORKVTESA-N -1 3 370.453 3.080 20 0 FGADHM CCO[C@@H]1C[C@H](OC(=O)CCc2ccc(-c3nn[n-]n3)cc2)C12CCCC2 ZINC000736615444 599028228 /nfs/dbraw/zinc/02/82/28/599028228.db2.gz YBHIXSLHLFHRMV-SJORKVTESA-N -1 3 370.453 3.080 20 0 FGADHM Cc1c(NCC(=O)N[C@H](C)c2ccc(Cl)cc2)cccc1-c1nnn[n-]1 ZINC000822116167 607257354 /nfs/dbraw/zinc/25/73/54/607257354.db2.gz NVLIVSOGZZJLKR-GFCCVEGCSA-N -1 3 370.844 3.118 20 0 FGADHM Cc1c(NCC(=O)N[C@H](C)c2ccc(Cl)cc2)cccc1-c1nn[n-]n1 ZINC000822116167 607257355 /nfs/dbraw/zinc/25/73/55/607257355.db2.gz NVLIVSOGZZJLKR-GFCCVEGCSA-N -1 3 370.844 3.118 20 0 FGADHM O=C(c1ccncc1F)N(Cc1ccccc1)c1ccccc1-c1nnn[n-]1 ZINC000738291384 599036537 /nfs/dbraw/zinc/03/65/37/599036537.db2.gz XAKWOXKFHPZZGV-UHFFFAOYSA-N -1 3 374.379 3.248 20 0 FGADHM O=C(c1ccncc1F)N(Cc1ccccc1)c1ccccc1-c1nn[n-]n1 ZINC000738291384 599036539 /nfs/dbraw/zinc/03/65/39/599036539.db2.gz XAKWOXKFHPZZGV-UHFFFAOYSA-N -1 3 374.379 3.248 20 0 FGADHM CC(C)n1cc([C@H](C)Nc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)cn1 ZINC000736137756 599055833 /nfs/dbraw/zinc/05/58/33/599055833.db2.gz NRVCEXZLHOCDHV-VIFPVBQESA-N -1 3 366.351 3.231 20 0 FGADHM CC(C)n1cc([C@H](C)Nc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)cn1 ZINC000736137756 599055836 /nfs/dbraw/zinc/05/58/36/599055836.db2.gz NRVCEXZLHOCDHV-VIFPVBQESA-N -1 3 366.351 3.231 20 0 FGADHM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ncc(-c2ccccc2)o1 ZINC000736161984 599056335 /nfs/dbraw/zinc/05/63/35/599056335.db2.gz YCNUXQXEZZCTAK-GFCCVEGCSA-N -1 3 361.361 3.440 20 0 FGADHM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ncc(-c2ccccc2)o1 ZINC000736161984 599056340 /nfs/dbraw/zinc/05/63/40/599056340.db2.gz YCNUXQXEZZCTAK-GFCCVEGCSA-N -1 3 361.361 3.440 20 0 FGADHM Fc1cccc(N2CC[C@H](COCc3ccccc3)C2)c1-c1nnn[n-]1 ZINC000822792479 599063139 /nfs/dbraw/zinc/06/31/39/599063139.db2.gz YHTSENIPAZWDHF-HNNXBMFYSA-N -1 3 353.401 3.049 20 0 FGADHM Fc1cccc(N2CC[C@H](COCc3ccccc3)C2)c1-c1nn[n-]n1 ZINC000822792479 599063140 /nfs/dbraw/zinc/06/31/40/599063140.db2.gz YHTSENIPAZWDHF-HNNXBMFYSA-N -1 3 353.401 3.049 20 0 FGADHM C[C@H](CNc1cc(-c2nnn[n-]2)c2ccccc2n1)Oc1ccccc1F ZINC000820274539 599066492 /nfs/dbraw/zinc/06/64/92/599066492.db2.gz HJIQBNKJKWUIAL-GFCCVEGCSA-N -1 3 364.384 3.433 20 0 FGADHM C[C@H](CNc1cc(-c2nn[n-]n2)c2ccccc2n1)Oc1ccccc1F ZINC000820274539 599066495 /nfs/dbraw/zinc/06/64/95/599066495.db2.gz HJIQBNKJKWUIAL-GFCCVEGCSA-N -1 3 364.384 3.433 20 0 FGADHM Cc1cccc(F)c1CNc1c(-c2nnn[n-]2)cnc2c(F)ccc(F)c21 ZINC000822308844 599068461 /nfs/dbraw/zinc/06/84/61/599068461.db2.gz JTWFCYFEMRWHEL-UHFFFAOYSA-N -1 3 370.338 3.175 20 0 FGADHM Cc1cccc(F)c1CNc1c(-c2nn[n-]n2)cnc2c(F)ccc(F)c21 ZINC000822308844 599068463 /nfs/dbraw/zinc/06/84/63/599068463.db2.gz JTWFCYFEMRWHEL-UHFFFAOYSA-N -1 3 370.338 3.175 20 0 FGADHM Fc1ccc(-c2nn[n-]n2)cc1CNc1nc(-c2cccc(Cl)c2)no1 ZINC000822761344 599074271 /nfs/dbraw/zinc/07/42/71/599074271.db2.gz JKQHZEGEVFEGFQ-UHFFFAOYSA-N -1 3 371.763 3.321 20 0 FGADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@@H](C)C1CCCCC1 ZINC000735733926 599079405 /nfs/dbraw/zinc/07/94/05/599079405.db2.gz DDBUXCOEQBYMBF-KSSFIOAISA-N -1 3 371.485 3.355 20 0 FGADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@@H](C)C1CCCCC1 ZINC000735733926 599079408 /nfs/dbraw/zinc/07/94/08/599079408.db2.gz DDBUXCOEQBYMBF-KSSFIOAISA-N -1 3 371.485 3.355 20 0 FGADHM CC(C)(C)OC(=O)c1ccc(CNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000819947011 599082087 /nfs/dbraw/zinc/08/20/87/599082087.db2.gz ZHRCQEUVWMRJIK-UHFFFAOYSA-N -1 3 351.410 3.434 20 0 FGADHM C[C@@H]1CCCC[C@H]1NC(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000824937810 607833189 /nfs/dbraw/zinc/83/31/89/607833189.db2.gz RSTRUXBWVOAAJH-PRHODGIISA-N -1 3 354.241 3.482 20 0 FGADHM C[C@@H]1CCCC[C@H]1NC(=O)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000824937810 607833188 /nfs/dbraw/zinc/83/31/88/607833188.db2.gz RSTRUXBWVOAAJH-PRHODGIISA-N -1 3 354.241 3.482 20 0 FGADHM CC(C)Oc1c(Cl)cccc1NC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000735904866 599300120 /nfs/dbraw/zinc/30/01/20/599300120.db2.gz URFXVQSMHIRKLJ-UHFFFAOYSA-N -1 3 371.828 3.489 20 0 FGADHM CC(C)Oc1c(Cl)cccc1NC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000735904866 599300124 /nfs/dbraw/zinc/30/01/24/599300124.db2.gz URFXVQSMHIRKLJ-UHFFFAOYSA-N -1 3 371.828 3.489 20 0 FGADHM Fc1ccc(F)c2c1ncc(-c1nnn[n-]1)c2N1CCC2(CCCC2)C1 ZINC000822774858 599093422 /nfs/dbraw/zinc/09/34/22/599093422.db2.gz PRLYPARKQQLWSS-UHFFFAOYSA-N -1 3 356.380 3.464 20 0 FGADHM Fc1ccc(F)c2c1ncc(-c1nn[n-]n1)c2N1CCC2(CCCC2)C1 ZINC000822774858 599093425 /nfs/dbraw/zinc/09/34/25/599093425.db2.gz PRLYPARKQQLWSS-UHFFFAOYSA-N -1 3 356.380 3.464 20 0 FGADHM CC[C@@H]1CN(c2c(-c3nnn[n-]3)cnc3c(F)ccc(F)c32)CCS1 ZINC000820994128 599101739 /nfs/dbraw/zinc/10/17/39/599101739.db2.gz DZEPGZJBWVLIOT-SECBINFHSA-N -1 3 362.409 3.025 20 0 FGADHM CC[C@@H]1CN(c2c(-c3nn[n-]n3)cnc3c(F)ccc(F)c32)CCS1 ZINC000820994128 599101742 /nfs/dbraw/zinc/10/17/42/599101742.db2.gz DZEPGZJBWVLIOT-SECBINFHSA-N -1 3 362.409 3.025 20 0 FGADHM Cc1cccnc1[C@@H](NC(=O)Nc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000737434573 599102299 /nfs/dbraw/zinc/10/22/99/599102299.db2.gz KWVCJPBLUISMHT-HNNXBMFYSA-N -1 3 351.414 3.089 20 0 FGADHM Cc1cccnc1[C@@H](NC(=O)Nc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000737434573 599102301 /nfs/dbraw/zinc/10/23/01/599102301.db2.gz KWVCJPBLUISMHT-HNNXBMFYSA-N -1 3 351.414 3.089 20 0 FGADHM O[C@@H](C[C@@H]1CCCN1c1cccc(F)c1-c1nnn[n-]1)c1ccccc1 ZINC000823674555 599109355 /nfs/dbraw/zinc/10/93/55/599109355.db2.gz RHQRISHOFXTEFZ-YOEHRIQHSA-N -1 3 353.401 3.098 20 0 FGADHM O[C@@H](C[C@@H]1CCCN1c1cccc(F)c1-c1nn[n-]n1)c1ccccc1 ZINC000823674555 599109357 /nfs/dbraw/zinc/10/93/57/599109357.db2.gz RHQRISHOFXTEFZ-YOEHRIQHSA-N -1 3 353.401 3.098 20 0 FGADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1CCO[C@@H](c2ccccc2)C1 ZINC000737408672 599121337 /nfs/dbraw/zinc/12/13/37/599121337.db2.gz JPYYGGSPZQSXLT-GOSISDBHSA-N -1 3 372.432 3.301 20 0 FGADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N1CCO[C@@H](c2ccccc2)C1 ZINC000737408672 599121340 /nfs/dbraw/zinc/12/13/40/599121340.db2.gz JPYYGGSPZQSXLT-GOSISDBHSA-N -1 3 372.432 3.301 20 0 FGADHM C=Cc1cc(OC)c(OCc2ccc(-c3nnn[n-]3)cc2F)c(OC)c1 ZINC000819765417 599131549 /nfs/dbraw/zinc/13/15/49/599131549.db2.gz PVEFCVWNZUSLBB-UHFFFAOYSA-N -1 3 356.357 3.245 20 0 FGADHM C=Cc1cc(OC)c(OCc2ccc(-c3nn[n-]n3)cc2F)c(OC)c1 ZINC000819765417 599131551 /nfs/dbraw/zinc/13/15/51/599131551.db2.gz PVEFCVWNZUSLBB-UHFFFAOYSA-N -1 3 356.357 3.245 20 0 FGADHM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820938447 599137079 /nfs/dbraw/zinc/13/70/79/599137079.db2.gz IXCGHUMVFBWFLL-ZZCKCESHSA-N -1 3 371.485 3.418 20 0 FGADHM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820938447 599137080 /nfs/dbraw/zinc/13/70/80/599137080.db2.gz IXCGHUMVFBWFLL-ZZCKCESHSA-N -1 3 371.485 3.418 20 0 FGADHM C[C@@H](NC(=O)c1ccc(OC2CCC2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820397044 599137189 /nfs/dbraw/zinc/13/71/89/599137189.db2.gz KXWYKTZEDLHIQC-CYBMUJFWSA-N -1 3 363.421 3.289 20 0 FGADHM C[C@@H](NC(=O)c1ccc(OC2CCC2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820397044 599137191 /nfs/dbraw/zinc/13/71/91/599137191.db2.gz KXWYKTZEDLHIQC-CYBMUJFWSA-N -1 3 363.421 3.289 20 0 FGADHM C[C@H](NC(=O)c1ccc(OC2CCC2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820397045 599137530 /nfs/dbraw/zinc/13/75/30/599137530.db2.gz KXWYKTZEDLHIQC-ZDUSSCGKSA-N -1 3 363.421 3.289 20 0 FGADHM C[C@H](NC(=O)c1ccc(OC2CCC2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820397045 599137532 /nfs/dbraw/zinc/13/75/32/599137532.db2.gz KXWYKTZEDLHIQC-ZDUSSCGKSA-N -1 3 363.421 3.289 20 0 FGADHM O=C(c1cccc2cc[nH]c21)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000823493638 599138489 /nfs/dbraw/zinc/13/84/89/599138489.db2.gz RHKXEHNZEXOODA-UHFFFAOYSA-N -1 3 358.405 3.153 20 0 FGADHM O=C(c1cccc2cc[nH]c21)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000823493638 599138491 /nfs/dbraw/zinc/13/84/91/599138491.db2.gz RHKXEHNZEXOODA-UHFFFAOYSA-N -1 3 358.405 3.153 20 0 FGADHM C[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)cc2F)C[C@H](c2ccc(F)cc2)O1 ZINC000736288050 599141115 /nfs/dbraw/zinc/14/11/15/599141115.db2.gz QKQFGQVNHNSCMA-KZULUSFZSA-N -1 3 371.391 3.107 20 0 FGADHM C[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)cc2F)C[C@H](c2ccc(F)cc2)O1 ZINC000736288050 599141117 /nfs/dbraw/zinc/14/11/17/599141117.db2.gz QKQFGQVNHNSCMA-KZULUSFZSA-N -1 3 371.391 3.107 20 0 FGADHM S=C(Nc1ccccc1-c1nnn[n-]1)N1CCCC[C@H]1c1ccco1 ZINC000738409569 599159734 /nfs/dbraw/zinc/15/97/34/599159734.db2.gz SDFSJRRTOPZJEE-AWEZNQCLSA-N -1 3 354.439 3.384 20 0 FGADHM S=C(Nc1ccccc1-c1nn[n-]n1)N1CCCC[C@H]1c1ccco1 ZINC000738409569 599159736 /nfs/dbraw/zinc/15/97/36/599159736.db2.gz SDFSJRRTOPZJEE-AWEZNQCLSA-N -1 3 354.439 3.384 20 0 FGADHM CCCn1cc(NC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)cn1 ZINC000821147516 599160098 /nfs/dbraw/zinc/16/00/98/599160098.db2.gz HOQVBYDQGSSITO-UHFFFAOYSA-N -1 3 373.420 3.393 20 0 FGADHM CCCn1cc(NC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)cn1 ZINC000821147516 599160099 /nfs/dbraw/zinc/16/00/99/599160099.db2.gz HOQVBYDQGSSITO-UHFFFAOYSA-N -1 3 373.420 3.393 20 0 FGADHM CN(C(=O)[C@H]1C[C@H]1c1c(F)cccc1F)c1ccc(-c2nnn[n-]2)cc1F ZINC000736730635 599160722 /nfs/dbraw/zinc/16/07/22/599160722.db2.gz BMEBKOUSQCNHNE-MNOVXSKESA-N -1 3 373.338 3.051 20 0 FGADHM CN(C(=O)[C@H]1C[C@H]1c1c(F)cccc1F)c1ccc(-c2nn[n-]n2)cc1F ZINC000736730635 599160723 /nfs/dbraw/zinc/16/07/23/599160723.db2.gz BMEBKOUSQCNHNE-MNOVXSKESA-N -1 3 373.338 3.051 20 0 FGADHM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)N1CCC[C@@H]1c1ccco1 ZINC000737932862 599163103 /nfs/dbraw/zinc/16/31/03/599163103.db2.gz RISXYMMBMKBEJZ-OAHLLOKOSA-N -1 3 369.450 3.057 20 0 FGADHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)N1CCC[C@@H]1c1ccco1 ZINC000737932862 599163105 /nfs/dbraw/zinc/16/31/05/599163105.db2.gz RISXYMMBMKBEJZ-OAHLLOKOSA-N -1 3 369.450 3.057 20 0 FGADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)N1CCCC[C@H]1c1ccco1 ZINC000737851858 599165977 /nfs/dbraw/zinc/16/59/77/599165977.db2.gz KUMAUIGWVDMPBA-INIZCTEOSA-N -1 3 351.410 3.146 20 0 FGADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)N1CCCC[C@H]1c1ccco1 ZINC000737851858 599165978 /nfs/dbraw/zinc/16/59/78/599165978.db2.gz KUMAUIGWVDMPBA-INIZCTEOSA-N -1 3 351.410 3.146 20 0 FGADHM Cc1ccccc1CNC(=O)[C@@H](C)Sc1ccc(-c2nnn[n-]2)cc1F ZINC000737427819 599174071 /nfs/dbraw/zinc/17/40/71/599174071.db2.gz FUWFZHUGZSEDCQ-GFCCVEGCSA-N -1 3 371.441 3.111 20 0 FGADHM Cc1ccccc1CNC(=O)[C@@H](C)Sc1ccc(-c2nn[n-]n2)cc1F ZINC000737427819 599174072 /nfs/dbraw/zinc/17/40/72/599174072.db2.gz FUWFZHUGZSEDCQ-GFCCVEGCSA-N -1 3 371.441 3.111 20 0 FGADHM C[C@@H]1CCCC[C@H]1N(C)C(=O)CSc1ccc(-c2nnn[n-]2)cc1F ZINC000736273192 599171346 /nfs/dbraw/zinc/17/13/46/599171346.db2.gz RCXLEDQSCJPUBB-BXUZGUMPSA-N -1 3 363.462 3.135 20 0 FGADHM C[C@@H]1CCCC[C@H]1N(C)C(=O)CSc1ccc(-c2nn[n-]n2)cc1F ZINC000736273192 599171347 /nfs/dbraw/zinc/17/13/47/599171347.db2.gz RCXLEDQSCJPUBB-BXUZGUMPSA-N -1 3 363.462 3.135 20 0 FGADHM Cc1ccncc1C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000737445625 599178046 /nfs/dbraw/zinc/17/80/46/599178046.db2.gz SMLMLZPDPRVPHT-UHFFFAOYSA-N -1 3 354.439 3.153 20 0 FGADHM Cc1ccncc1C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000737445625 599178048 /nfs/dbraw/zinc/17/80/48/599178048.db2.gz SMLMLZPDPRVPHT-UHFFFAOYSA-N -1 3 354.439 3.153 20 0 FGADHM Cc1sc(NC(=O)c2cnc3ccsc3c2)c(-c2nnn[n-]2)c1C ZINC000737563592 599178598 /nfs/dbraw/zinc/17/85/98/599178598.db2.gz NKRCNHQOWRPFSL-UHFFFAOYSA-N -1 3 356.436 3.407 20 0 FGADHM Cc1sc(NC(=O)c2cnc3ccsc3c2)c(-c2nn[n-]n2)c1C ZINC000737563592 599178600 /nfs/dbraw/zinc/17/86/00/599178600.db2.gz NKRCNHQOWRPFSL-UHFFFAOYSA-N -1 3 356.436 3.407 20 0 FGADHM C[C@@H](CC(=O)OCc1cc(-c2nnn[n-]2)ccc1F)c1cccc(F)c1 ZINC000735976321 599184734 /nfs/dbraw/zinc/18/47/34/599184734.db2.gz LENBGIFYGUXISK-NSHDSACASA-N -1 3 358.348 3.382 20 0 FGADHM C[C@@H](CC(=O)OCc1cc(-c2nn[n-]n2)ccc1F)c1cccc(F)c1 ZINC000735976321 599184737 /nfs/dbraw/zinc/18/47/37/599184737.db2.gz LENBGIFYGUXISK-NSHDSACASA-N -1 3 358.348 3.382 20 0 FGADHM CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)c1sccc1-c1nnn[n-]1 ZINC000820020833 599215254 /nfs/dbraw/zinc/21/52/54/599215254.db2.gz KTOFXSCWWSQHRN-AWEZNQCLSA-N -1 3 359.430 3.064 20 0 FGADHM CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)c1sccc1-c1nn[n-]n1 ZINC000820020833 599215257 /nfs/dbraw/zinc/21/52/57/599215257.db2.gz KTOFXSCWWSQHRN-AWEZNQCLSA-N -1 3 359.430 3.064 20 0 FGADHM Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)c2sccc2-c2nnn[n-]2)o1 ZINC000822232759 599221745 /nfs/dbraw/zinc/22/17/45/599221745.db2.gz ALRUIPULYSCCHY-GWCFXTLKSA-N -1 3 357.439 3.443 20 0 FGADHM Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)c2sccc2-c2nn[n-]n2)o1 ZINC000822232759 599221747 /nfs/dbraw/zinc/22/17/47/599221747.db2.gz ALRUIPULYSCCHY-GWCFXTLKSA-N -1 3 357.439 3.443 20 0 FGADHM CC(C)Oc1ccc(OC(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000735913832 599223729 /nfs/dbraw/zinc/22/37/29/599223729.db2.gz RTJADLVRHPQMLF-KPKJPENVSA-N -1 3 350.378 3.273 20 0 FGADHM CC(C)Oc1ccc(OC(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000735913832 599223731 /nfs/dbraw/zinc/22/37/31/599223731.db2.gz RTJADLVRHPQMLF-KPKJPENVSA-N -1 3 350.378 3.273 20 0 FGADHM Cc1cccc(C)c1NC(=S)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822293606 599229347 /nfs/dbraw/zinc/22/93/47/599229347.db2.gz DNNLSASGOBCXJT-UHFFFAOYSA-N -1 3 356.430 3.109 20 0 FGADHM Cc1cccc(C)c1NC(=S)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822293606 599229349 /nfs/dbraw/zinc/22/93/49/599229349.db2.gz DNNLSASGOBCXJT-UHFFFAOYSA-N -1 3 356.430 3.109 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)c1ccnn1C(CC)CC ZINC000821394574 607261206 /nfs/dbraw/zinc/26/12/06/607261206.db2.gz LYHZRBMVGICRIE-UHFFFAOYSA-N -1 3 370.413 3.042 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)c1ccnn1C(CC)CC ZINC000821394574 607261207 /nfs/dbraw/zinc/26/12/07/607261207.db2.gz LYHZRBMVGICRIE-UHFFFAOYSA-N -1 3 370.413 3.042 20 0 FGADHM CSc1cccc(NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000821983117 599235780 /nfs/dbraw/zinc/23/57/80/599235780.db2.gz DUXCQFNKVVSKHM-NSHDSACASA-N -1 3 354.439 3.471 20 0 FGADHM CSc1cccc(NC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000821983117 599235782 /nfs/dbraw/zinc/23/57/82/599235782.db2.gz DUXCQFNKVVSKHM-NSHDSACASA-N -1 3 354.439 3.471 20 0 FGADHM Cc1c(NC(=O)Cc2coc3cc(F)ccc23)cccc1-c1nnn[n-]1 ZINC000822075361 607267377 /nfs/dbraw/zinc/26/73/77/607267377.db2.gz CIOLDODEKZUULD-UHFFFAOYSA-N -1 3 351.341 3.242 20 0 FGADHM Cc1c(NC(=O)Cc2coc3cc(F)ccc23)cccc1-c1nn[n-]n1 ZINC000822075361 607267378 /nfs/dbraw/zinc/26/73/78/607267378.db2.gz CIOLDODEKZUULD-UHFFFAOYSA-N -1 3 351.341 3.242 20 0 FGADHM C[C@@H](NC(=S)Nc1ccc(F)cc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000820404407 599238552 /nfs/dbraw/zinc/23/85/52/599238552.db2.gz USZXTHVSIRAKKD-SECBINFHSA-N -1 3 360.393 3.193 20 0 FGADHM C[C@@H](NC(=S)Nc1ccc(F)cc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000820404407 599238554 /nfs/dbraw/zinc/23/85/54/599238554.db2.gz USZXTHVSIRAKKD-SECBINFHSA-N -1 3 360.393 3.193 20 0 FGADHM Cc1ccc(NC(=S)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1F ZINC000822254732 599239441 /nfs/dbraw/zinc/23/94/41/599239441.db2.gz PUXWTNFLDIFIPE-LLVKDONJSA-N -1 3 356.430 3.362 20 0 FGADHM Cc1ccc(NC(=S)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1F ZINC000822254732 599239443 /nfs/dbraw/zinc/23/94/43/599239443.db2.gz PUXWTNFLDIFIPE-LLVKDONJSA-N -1 3 356.430 3.362 20 0 FGADHM CCc1ccc(COC(=O)CSc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736693081 599241634 /nfs/dbraw/zinc/24/16/34/599241634.db2.gz WVSWPOQQXXIREJ-UHFFFAOYSA-N -1 3 354.435 3.265 20 0 FGADHM CCc1ccc(COC(=O)CSc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736693081 599241635 /nfs/dbraw/zinc/24/16/35/599241635.db2.gz WVSWPOQQXXIREJ-UHFFFAOYSA-N -1 3 354.435 3.265 20 0 FGADHM CS[C@H]1CCC[C@H](NC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000737171656 599242529 /nfs/dbraw/zinc/24/25/29/599242529.db2.gz OSICBQIBQRBFAR-ONGXEEELSA-N -1 3 366.878 3.316 20 0 FGADHM CS[C@H]1CCC[C@H](NC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000737171656 599242530 /nfs/dbraw/zinc/24/25/30/599242530.db2.gz OSICBQIBQRBFAR-ONGXEEELSA-N -1 3 366.878 3.316 20 0 FGADHM CCc1nc(C)c([C@@H](C)N(C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)s1 ZINC000821504142 599245312 /nfs/dbraw/zinc/24/53/12/599245312.db2.gz BPYAVDGADRYLPF-LLVKDONJSA-N -1 3 371.470 3.419 20 0 FGADHM CCc1nc(C)c([C@@H](C)N(C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)s1 ZINC000821504142 599245314 /nfs/dbraw/zinc/24/53/14/599245314.db2.gz BPYAVDGADRYLPF-LLVKDONJSA-N -1 3 371.470 3.419 20 0 FGADHM Cc1c(NC(=O)NCC(C)(C)c2ccccc2F)cccc1-c1nnn[n-]1 ZINC000822096993 607287449 /nfs/dbraw/zinc/28/74/49/607287449.db2.gz RWNNYGQNJBOCEY-UHFFFAOYSA-N -1 3 368.416 3.414 20 0 FGADHM Cc1c(NC(=O)NCC(C)(C)c2ccccc2F)cccc1-c1nn[n-]n1 ZINC000822096993 607287450 /nfs/dbraw/zinc/28/74/50/607287450.db2.gz RWNNYGQNJBOCEY-UHFFFAOYSA-N -1 3 368.416 3.414 20 0 FGADHM Cc1c(NC(=O)NCc2cccc3cccnc32)cccc1-c1nnn[n-]1 ZINC000822102606 607287630 /nfs/dbraw/zinc/28/76/30/607287630.db2.gz BXDMUMIUSQUAKD-UHFFFAOYSA-N -1 3 359.393 3.045 20 0 FGADHM Cc1c(NC(=O)NCc2cccc3cccnc32)cccc1-c1nn[n-]n1 ZINC000822102606 607287631 /nfs/dbraw/zinc/28/76/31/607287631.db2.gz BXDMUMIUSQUAKD-UHFFFAOYSA-N -1 3 359.393 3.045 20 0 FGADHM Cc1ccc(OCCN(C)C(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1 ZINC000822262882 607283803 /nfs/dbraw/zinc/28/38/03/607283803.db2.gz GAVDORAFKWGWRV-UHFFFAOYSA-N -1 3 366.425 3.026 20 0 FGADHM Cc1ccc(OCCN(C)C(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1 ZINC000822262882 607283804 /nfs/dbraw/zinc/28/38/04/607283804.db2.gz GAVDORAFKWGWRV-UHFFFAOYSA-N -1 3 366.425 3.026 20 0 FGADHM C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)Nc2ccccc2CC(=O)[O-])C1 ZINC000818071244 597341715 /nfs/dbraw/zinc/34/17/15/597341715.db2.gz LOJOTTATJZJTRJ-YJBOKZPZSA-N -1 3 367.449 3.271 20 0 FGADHM Cc1c(NC(=O)N2CCc3cccc(F)c3[C@H]2C)cccc1-c1nnn[n-]1 ZINC000822091228 607284188 /nfs/dbraw/zinc/28/41/88/607284188.db2.gz PBYITFGQXUIYOG-GFCCVEGCSA-N -1 3 366.400 3.465 20 0 FGADHM Cc1c(NC(=O)N2CCc3cccc(F)c3[C@H]2C)cccc1-c1nn[n-]n1 ZINC000822091228 607284189 /nfs/dbraw/zinc/28/41/89/607284189.db2.gz PBYITFGQXUIYOG-GFCCVEGCSA-N -1 3 366.400 3.465 20 0 FGADHM CCOc1cccc(NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000821430846 599257448 /nfs/dbraw/zinc/25/74/48/599257448.db2.gz GDLKUYAJEHAELH-LBPRGKRZSA-N -1 3 352.398 3.148 20 0 FGADHM CCOc1cccc(NC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000821430846 599257450 /nfs/dbraw/zinc/25/74/50/599257450.db2.gz GDLKUYAJEHAELH-LBPRGKRZSA-N -1 3 352.398 3.148 20 0 FGADHM Cc1cccc([C@@H]2CCCN2C(=O)Nc2cccc(-c3nnn[n-]3)c2C)n1 ZINC000822299930 607286075 /nfs/dbraw/zinc/28/60/75/607286075.db2.gz ZNUIWBBXFBZQMA-KRWDZBQOSA-N -1 3 363.425 3.248 20 0 FGADHM Cc1cccc([C@@H]2CCCN2C(=O)Nc2cccc(-c3nn[n-]n3)c2C)n1 ZINC000822299930 607286076 /nfs/dbraw/zinc/28/60/76/607286076.db2.gz ZNUIWBBXFBZQMA-KRWDZBQOSA-N -1 3 363.425 3.248 20 0 FGADHM C[C@H](NC(=O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820357706 599261853 /nfs/dbraw/zinc/26/18/53/599261853.db2.gz IURWIEDMOVVILZ-ZFZWDLNGSA-N -1 3 354.458 3.196 20 0 FGADHM C[C@H](NC(=O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820357706 599261854 /nfs/dbraw/zinc/26/18/54/599261854.db2.gz IURWIEDMOVVILZ-ZFZWDLNGSA-N -1 3 354.458 3.196 20 0 FGADHM COc1cccc(F)c1[C@H](C)NC(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821873088 607289700 /nfs/dbraw/zinc/28/97/00/607289700.db2.gz QYTLZUHZYMRVIC-NSHDSACASA-N -1 3 370.388 3.206 20 0 FGADHM COc1cccc(F)c1[C@H](C)NC(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821873088 607289701 /nfs/dbraw/zinc/28/97/01/607289701.db2.gz QYTLZUHZYMRVIC-NSHDSACASA-N -1 3 370.388 3.206 20 0 FGADHM CCOc1ccc(CN(C)C(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1 ZINC000821417102 607292220 /nfs/dbraw/zinc/29/22/20/607292220.db2.gz JDKWSMSTNCCQRC-UHFFFAOYSA-N -1 3 366.425 3.238 20 0 FGADHM CCOc1ccc(CN(C)C(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1 ZINC000821417102 607292221 /nfs/dbraw/zinc/29/22/21/607292221.db2.gz JDKWSMSTNCCQRC-UHFFFAOYSA-N -1 3 366.425 3.238 20 0 FGADHM Cc1nc(CC(C)C)c(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)s1 ZINC000822435850 607294292 /nfs/dbraw/zinc/29/42/92/607294292.db2.gz CMMSHBVWOVQOLZ-UHFFFAOYSA-N -1 3 356.455 3.391 20 0 FGADHM Cc1nc(CC(C)C)c(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)s1 ZINC000822435850 607294293 /nfs/dbraw/zinc/29/42/93/607294293.db2.gz CMMSHBVWOVQOLZ-UHFFFAOYSA-N -1 3 356.455 3.391 20 0 FGADHM Cc1cc(OC(F)F)c(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)s1 ZINC000822210820 607297581 /nfs/dbraw/zinc/29/75/81/607297581.db2.gz SFDLOTYUJNOEFU-UHFFFAOYSA-N -1 3 365.365 3.399 20 0 FGADHM Cc1cc(OC(F)F)c(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)s1 ZINC000822210820 607297582 /nfs/dbraw/zinc/29/75/82/607297582.db2.gz SFDLOTYUJNOEFU-UHFFFAOYSA-N -1 3 365.365 3.399 20 0 FGADHM O=C(COc1ccccc1-c1nnn[n-]1)NC(C1CCCC1)C1CCCC1 ZINC000737925697 599260576 /nfs/dbraw/zinc/26/05/76/599260576.db2.gz XFRXEIKTYQQONK-UHFFFAOYSA-N -1 3 369.469 3.111 20 0 FGADHM O=C(COc1ccccc1-c1nn[n-]n1)NC(C1CCCC1)C1CCCC1 ZINC000737925697 599260579 /nfs/dbraw/zinc/26/05/79/599260579.db2.gz XFRXEIKTYQQONK-UHFFFAOYSA-N -1 3 369.469 3.111 20 0 FGADHM Cc1nc2ccc(NCc3cnc4ccc(-c5nnn[n-]5)cn34)cc2s1 ZINC000822463423 607308395 /nfs/dbraw/zinc/30/83/95/607308395.db2.gz QYXCNQBHRPILSK-UHFFFAOYSA-N -1 3 362.422 3.045 20 0 FGADHM Cc1nc2ccc(NCc3cnc4ccc(-c5nn[n-]n5)cn34)cc2s1 ZINC000822463423 607308396 /nfs/dbraw/zinc/30/83/96/607308396.db2.gz QYXCNQBHRPILSK-UHFFFAOYSA-N -1 3 362.422 3.045 20 0 FGADHM CCOc1cc2c(cc1NCc1ccc(-c3nnn[n-]3)s1)O[C@H](C)C2 ZINC000821400098 607310676 /nfs/dbraw/zinc/31/06/76/607310676.db2.gz DXMOFZHGGVUDEL-SNVBAGLBSA-N -1 3 357.439 3.262 20 0 FGADHM C[C@H]1CN(c2ccc(NCc3cc(-c4nnn[n-]4)cs3)cc2)C[C@H](C)O1 ZINC000820776676 607315046 /nfs/dbraw/zinc/31/50/46/607315046.db2.gz MFOIKAAMWGZOKI-STQMWFEESA-N -1 3 370.482 3.154 20 0 FGADHM C[C@H]1CN(c2ccc(NCc3cc(-c4nn[n-]n4)cs3)cc2)C[C@H](C)O1 ZINC000820776676 607315047 /nfs/dbraw/zinc/31/50/47/607315047.db2.gz MFOIKAAMWGZOKI-STQMWFEESA-N -1 3 370.482 3.154 20 0 FGADHM Cc1cccc(CNc2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)c1 ZINC000737393233 599267329 /nfs/dbraw/zinc/26/73/29/599267329.db2.gz GIIXPFANPPTTHE-UHFFFAOYSA-N -1 3 350.813 3.411 20 0 FGADHM Cc1cccc(CNc2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)c1 ZINC000737393233 599267331 /nfs/dbraw/zinc/26/73/31/599267331.db2.gz GIIXPFANPPTTHE-UHFFFAOYSA-N -1 3 350.813 3.411 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(C)c(F)c1 ZINC000736487955 599275208 /nfs/dbraw/zinc/27/52/08/599275208.db2.gz LIMDYYISJPXWMU-UHFFFAOYSA-N -1 3 354.389 3.388 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H](C)c1c(C)noc1C ZINC000736487422 599276942 /nfs/dbraw/zinc/27/69/42/599276942.db2.gz GNEUWDGRTOEVPH-JTQLQIEISA-N -1 3 369.429 3.036 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(F)c(C)c1 ZINC000736489012 599277985 /nfs/dbraw/zinc/27/79/85/599277985.db2.gz XFELLZGWVFXZDR-UHFFFAOYSA-N -1 3 354.389 3.388 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)COc1cccc(C)c1 ZINC000736489447 599278656 /nfs/dbraw/zinc/27/86/56/599278656.db2.gz ZWUAHTFYTZSOCF-UHFFFAOYSA-N -1 3 366.425 3.015 20 0 FGADHM O=C(C=Cc1ccnc2ccccc12)OCc1ccccc1-c1nnn[n-]1 ZINC000737805947 599278920 /nfs/dbraw/zinc/27/89/20/599278920.db2.gz JNHOVURAZLWBAL-KTKRTIGZSA-N -1 3 357.373 3.172 20 0 FGADHM O=C(C=Cc1ccnc2ccccc12)OCc1ccccc1-c1nn[n-]n1 ZINC000737805947 599278923 /nfs/dbraw/zinc/27/89/23/599278923.db2.gz JNHOVURAZLWBAL-KTKRTIGZSA-N -1 3 357.373 3.172 20 0 FGADHM C[C@@H](NC(=O)Nc1nc2ccsc2s1)c1cccc(-c2nnn[n-]2)c1 ZINC000820380578 599283552 /nfs/dbraw/zinc/28/35/52/599283552.db2.gz WOTQKFCYFMTOKW-MRVPVSSYSA-N -1 3 371.451 3.421 20 0 FGADHM C[C@@H](NC(=O)Nc1nc2ccsc2s1)c1cccc(-c2nn[n-]n2)c1 ZINC000820380578 599283554 /nfs/dbraw/zinc/28/35/54/599283554.db2.gz WOTQKFCYFMTOKW-MRVPVSSYSA-N -1 3 371.451 3.421 20 0 FGADHM C[C@H](Sc1nnc(N2CCCC2)s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736190291 599289727 /nfs/dbraw/zinc/28/97/27/599289727.db2.gz CQSHRBNEECTZHE-JTQLQIEISA-N -1 3 359.484 3.172 20 0 FGADHM C[C@H](Sc1nnc(N2CCCC2)s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736190291 599289729 /nfs/dbraw/zinc/28/97/29/599289729.db2.gz CQSHRBNEECTZHE-JTQLQIEISA-N -1 3 359.484 3.172 20 0 FGADHM FC1(F)CN(C(=S)Nc2ccccc2-c2nnn[n-]2)Cc2ccccc21 ZINC000822736878 607326035 /nfs/dbraw/zinc/32/60/35/607326035.db2.gz LNQGUYQMYSUKTG-UHFFFAOYSA-N -1 3 372.404 3.171 20 0 FGADHM FC1(F)CN(C(=S)Nc2ccccc2-c2nn[n-]n2)Cc2ccccc21 ZINC000822736878 607326036 /nfs/dbraw/zinc/32/60/36/607326036.db2.gz LNQGUYQMYSUKTG-UHFFFAOYSA-N -1 3 372.404 3.171 20 0 FGADHM O=C(Nc1ccc(OCc2ccncc2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000738172525 598232853 /nfs/dbraw/zinc/23/28/53/598232853.db2.gz NNIAIHQWIMGASE-UHFFFAOYSA-N -1 3 372.388 3.093 20 0 FGADHM O=C(Nc1ccc(OCc2ccncc2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000738172525 598232855 /nfs/dbraw/zinc/23/28/55/598232855.db2.gz NNIAIHQWIMGASE-UHFFFAOYSA-N -1 3 372.388 3.093 20 0 FGADHM CC[C@@H](C)NC(=O)c1ccc(Nc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000736327718 598240153 /nfs/dbraw/zinc/24/01/53/598240153.db2.gz SZZPAUGRPZZROV-LLVKDONJSA-N -1 3 354.389 3.278 20 0 FGADHM CC[C@@H](C)NC(=O)c1ccc(Nc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000736327718 598240154 /nfs/dbraw/zinc/24/01/54/598240154.db2.gz SZZPAUGRPZZROV-LLVKDONJSA-N -1 3 354.389 3.278 20 0 FGADHM CC[C@H](C)[C@@H](C)N(C(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1)C1CC1 ZINC000736328237 598241019 /nfs/dbraw/zinc/24/10/19/598241019.db2.gz GQURTMOLGSEZEF-MJBXVCDLSA-N -1 3 357.458 3.060 20 0 FGADHM CC[C@H](C)[C@@H](C)N(C(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1)C1CC1 ZINC000736328237 598241020 /nfs/dbraw/zinc/24/10/20/598241020.db2.gz GQURTMOLGSEZEF-MJBXVCDLSA-N -1 3 357.458 3.060 20 0 FGADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cc1F)c1ccc(N2CCOC2=O)cc1 ZINC000736134321 598241799 /nfs/dbraw/zinc/24/17/99/598241799.db2.gz BQDWHJVTWCMXTP-LLVKDONJSA-N -1 3 368.372 3.136 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)CCCc1ccccn1 ZINC000736478978 598258473 /nfs/dbraw/zinc/25/84/73/598258473.db2.gz HDWGQVZPSRIVOM-UHFFFAOYSA-N -1 3 364.453 3.023 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)CCCc1ccccn1 ZINC000736478978 598258474 /nfs/dbraw/zinc/25/84/74/598258474.db2.gz HDWGQVZPSRIVOM-UHFFFAOYSA-N -1 3 364.453 3.023 20 0 FGADHM C[C@@H](CCc1ccco1)NC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000735994437 598276142 /nfs/dbraw/zinc/27/61/42/598276142.db2.gz YDQCHPKUGLQRJU-LBPRGKRZSA-N -1 3 371.445 3.159 20 0 FGADHM C[C@@H](CCc1ccco1)NC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000735994437 598276143 /nfs/dbraw/zinc/27/61/43/598276143.db2.gz YDQCHPKUGLQRJU-LBPRGKRZSA-N -1 3 371.445 3.159 20 0 FGADHM COc1cccc(NC(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)c1 ZINC000737140528 598276756 /nfs/dbraw/zinc/27/67/56/598276756.db2.gz QAOJOHZIUSOCSV-UHFFFAOYSA-N -1 3 355.402 3.076 20 0 FGADHM COc1cccc(NC(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)c1 ZINC000737140528 598276757 /nfs/dbraw/zinc/27/67/57/598276757.db2.gz QAOJOHZIUSOCSV-UHFFFAOYSA-N -1 3 355.402 3.076 20 0 FGADHM CN(C(=O)c1ccccc1OCC1CC1)c1ccc(-c2nnn[n-]2)cc1F ZINC000736741953 598279052 /nfs/dbraw/zinc/27/90/52/598279052.db2.gz WBJDLXUSXAACRF-UHFFFAOYSA-N -1 3 367.384 3.071 20 0 FGADHM CN(C(=O)c1ccccc1OCC1CC1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736741953 598279053 /nfs/dbraw/zinc/27/90/53/598279053.db2.gz WBJDLXUSXAACRF-UHFFFAOYSA-N -1 3 367.384 3.071 20 0 FGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N1CCc2ccc(F)cc21 ZINC000735660258 598280647 /nfs/dbraw/zinc/28/06/47/598280647.db2.gz KKMWYXAUSGKXJT-UHFFFAOYSA-N -1 3 369.404 3.157 20 0 FGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N1CCc2ccc(F)cc21 ZINC000735660258 598280648 /nfs/dbraw/zinc/28/06/48/598280648.db2.gz KKMWYXAUSGKXJT-UHFFFAOYSA-N -1 3 369.404 3.157 20 0 FGADHM Cc1ccc2c(c1)N(C(=O)Nc1cc(-c3nnn[n-]3)cn1C(C)(C)C)CC2 ZINC000737374947 598280854 /nfs/dbraw/zinc/28/08/54/598280854.db2.gz AVPXAIOJGVPRIK-UHFFFAOYSA-N -1 3 365.441 3.326 20 0 FGADHM Cc1ccc2c(c1)N(C(=O)Nc1cc(-c3nn[n-]n3)cn1C(C)(C)C)CC2 ZINC000737374947 598280856 /nfs/dbraw/zinc/28/08/56/598280856.db2.gz AVPXAIOJGVPRIK-UHFFFAOYSA-N -1 3 365.441 3.326 20 0 FGADHM C[C@@H](c1ccco1)N(C)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736202706 598281191 /nfs/dbraw/zinc/28/11/91/598281191.db2.gz JIZBTOPEELOQIN-NSHDSACASA-N -1 3 357.418 3.241 20 0 FGADHM C[C@@H](c1ccco1)N(C)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736202706 598281192 /nfs/dbraw/zinc/28/11/92/598281192.db2.gz JIZBTOPEELOQIN-NSHDSACASA-N -1 3 357.418 3.241 20 0 FGADHM CCc1cccc2c1OCC[C@H]2NC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000736694777 598282407 /nfs/dbraw/zinc/28/24/07/598282407.db2.gz CFJAHJRLCSCMIL-MRXNPFEDSA-N -1 3 364.409 3.074 20 0 FGADHM CCc1cccc2c1OCC[C@H]2NC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000736694777 598282408 /nfs/dbraw/zinc/28/24/08/598282408.db2.gz CFJAHJRLCSCMIL-MRXNPFEDSA-N -1 3 364.409 3.074 20 0 FGADHM CCOc1ccc(OC)cc1NCCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000736646472 598284663 /nfs/dbraw/zinc/28/46/63/598284663.db2.gz HGGNHZKCNCCUGH-UHFFFAOYSA-N -1 3 369.425 3.155 20 0 FGADHM C[C@@H]1CCc2c(C(=O)NCc3ccc(-c4nnn[n-]4)cc3F)csc2C1 ZINC000736277664 598305751 /nfs/dbraw/zinc/30/57/51/598305751.db2.gz BCAJCAOCZUFMKZ-SNVBAGLBSA-N -1 3 371.441 3.122 20 0 FGADHM C[C@@H]1CCc2c(C(=O)NCc3ccc(-c4nn[n-]n4)cc3F)csc2C1 ZINC000736277664 598305752 /nfs/dbraw/zinc/30/57/52/598305752.db2.gz BCAJCAOCZUFMKZ-SNVBAGLBSA-N -1 3 371.441 3.122 20 0 FGADHM Clc1ccc(N2CCCO[C@H](c3ccccc3)C2)c(-c2nnn[n-]2)c1 ZINC000737575530 598310829 /nfs/dbraw/zinc/31/08/29/598310829.db2.gz MABRXLVRJSDPOO-KRWDZBQOSA-N -1 3 355.829 3.488 20 0 FGADHM Clc1ccc(N2CCCO[C@H](c3ccccc3)C2)c(-c2nn[n-]n2)c1 ZINC000737575530 598310831 /nfs/dbraw/zinc/31/08/31/598310831.db2.gz MABRXLVRJSDPOO-KRWDZBQOSA-N -1 3 355.829 3.488 20 0 FGADHM CC[C@@H]1CCCCN1C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736399207 598315127 /nfs/dbraw/zinc/31/51/27/598315127.db2.gz FSPDDBGVOMHZRI-LLVKDONJSA-N -1 3 350.879 3.481 20 0 FGADHM CC[C@@H]1CCCCN1C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736399207 598315129 /nfs/dbraw/zinc/31/51/29/598315129.db2.gz FSPDDBGVOMHZRI-LLVKDONJSA-N -1 3 350.879 3.481 20 0 FGADHM Fc1cc(-c2nnn[n-]2)ccc1CNCc1csc(-c2ccccc2)n1 ZINC000737638426 598316349 /nfs/dbraw/zinc/31/63/49/598316349.db2.gz GXMPYPKQFCLUDH-UHFFFAOYSA-N -1 3 366.425 3.419 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1CNCc1csc(-c2ccccc2)n1 ZINC000737638426 598316351 /nfs/dbraw/zinc/31/63/51/598316351.db2.gz GXMPYPKQFCLUDH-UHFFFAOYSA-N -1 3 366.425 3.419 20 0 FGADHM Cc1ccccc1CNC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737427225 598318984 /nfs/dbraw/zinc/31/89/84/598318984.db2.gz BGYUQJLBHYRTJB-UHFFFAOYSA-N -1 3 358.858 3.315 20 0 FGADHM Cc1ccccc1CNC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737427225 598318986 /nfs/dbraw/zinc/31/89/86/598318986.db2.gz BGYUQJLBHYRTJB-UHFFFAOYSA-N -1 3 358.858 3.315 20 0 FGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)N(CC1CC1)C1CCCCC1 ZINC000738099891 598326902 /nfs/dbraw/zinc/32/69/02/598326902.db2.gz JSHDELXMMPHRQP-UHFFFAOYSA-N -1 3 372.448 3.260 20 0 FGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)N(CC1CC1)C1CCCCC1 ZINC000738099891 598326904 /nfs/dbraw/zinc/32/69/04/598326904.db2.gz JSHDELXMMPHRQP-UHFFFAOYSA-N -1 3 372.448 3.260 20 0 FGADHM Cc1cccc(N(C(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)C(C)C)c1 ZINC000737396306 598328597 /nfs/dbraw/zinc/32/85/97/598328597.db2.gz GTHOTCWJEVYHEI-OAHLLOKOSA-N -1 3 365.437 3.384 20 0 FGADHM Cc1cccc(N(C(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)C(C)C)c1 ZINC000737396306 598328599 /nfs/dbraw/zinc/32/85/99/598328599.db2.gz GTHOTCWJEVYHEI-OAHLLOKOSA-N -1 3 365.437 3.384 20 0 FGADHM Cc1cccc(N(C(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)C(C)C)c1 ZINC000737396711 598328761 /nfs/dbraw/zinc/32/87/61/598328761.db2.gz LCJYMOHAJMETNY-OAHLLOKOSA-N -1 3 365.437 3.384 20 0 FGADHM COc1ccccc1CC1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000737151187 598352737 /nfs/dbraw/zinc/35/27/37/598352737.db2.gz ACEUSXYHODTKFP-UHFFFAOYSA-N -1 3 367.428 3.474 20 0 FGADHM COc1ccccc1CC1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000737151187 598352739 /nfs/dbraw/zinc/35/27/39/598352739.db2.gz ACEUSXYHODTKFP-UHFFFAOYSA-N -1 3 367.428 3.474 20 0 FGADHM Cc1cccc(N(CC(=O)Nc2ccc(-c3nnn[n-]3)cc2)C(C)C)c1 ZINC000737395672 598354990 /nfs/dbraw/zinc/35/49/90/598354990.db2.gz DOMQPEQSSANUOB-UHFFFAOYSA-N -1 3 350.426 3.029 20 0 FGADHM Cc1cccc(N(CC(=O)Nc2ccc(-c3nn[n-]n3)cc2)C(C)C)c1 ZINC000737395672 598354995 /nfs/dbraw/zinc/35/49/95/598354995.db2.gz DOMQPEQSSANUOB-UHFFFAOYSA-N -1 3 350.426 3.029 20 0 FGADHM CC(C)Oc1ccccc1C(=O)OCc1cc(-c2nnn[n-]2)ccc1F ZINC000735914304 598370743 /nfs/dbraw/zinc/37/07/43/598370743.db2.gz VLPNQPZDGLTWTL-UHFFFAOYSA-N -1 3 356.357 3.150 20 0 FGADHM CC(C)Oc1ccccc1C(=O)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000735914304 598370745 /nfs/dbraw/zinc/37/07/45/598370745.db2.gz VLPNQPZDGLTWTL-UHFFFAOYSA-N -1 3 356.357 3.150 20 0 FGADHM Cc1cc(C)c(C=C2N=C(c3ccc(-c4nnn[n-]4)cc3)OC2=O)cc1C ZINC000737246871 598380655 /nfs/dbraw/zinc/38/06/55/598380655.db2.gz OYCBJRYCQWIWTL-YVLHZVERSA-N -1 3 359.389 3.136 20 0 FGADHM Cc1cc(C)c(C=C2N=C(c3ccc(-c4nn[n-]n4)cc3)OC2=O)cc1C ZINC000737246871 598380657 /nfs/dbraw/zinc/38/06/57/598380657.db2.gz OYCBJRYCQWIWTL-YVLHZVERSA-N -1 3 359.389 3.136 20 0 FGADHM COc1cc(CNc2ncc(-c3nnn[n-]3)cc2Cl)ccc1OC(C)C ZINC000737046416 598389801 /nfs/dbraw/zinc/38/98/01/598389801.db2.gz CPVUCZTYBNSLFE-UHFFFAOYSA-N -1 3 374.832 3.323 20 0 FGADHM COc1cc(CNc2ncc(-c3nn[n-]n3)cc2Cl)ccc1OC(C)C ZINC000737046416 598389803 /nfs/dbraw/zinc/38/98/03/598389803.db2.gz CPVUCZTYBNSLFE-UHFFFAOYSA-N -1 3 374.832 3.323 20 0 FGADHM CO[C@H](C)c1cccc(N[C@@H](C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)c1 ZINC000736963418 598396929 /nfs/dbraw/zinc/39/69/29/598396929.db2.gz SRNDNZAKTMSXSR-QWHCGFSZSA-N -1 3 366.425 3.013 20 0 FGADHM CO[C@H](C)c1cccc(N[C@@H](C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)c1 ZINC000736963418 598396930 /nfs/dbraw/zinc/39/69/30/598396930.db2.gz SRNDNZAKTMSXSR-QWHCGFSZSA-N -1 3 366.425 3.013 20 0 FGADHM COc1ccccc1C/C(C)=C/C(=O)OCc1cccc(-c2nnn[n-]2)c1 ZINC000737153091 598412479 /nfs/dbraw/zinc/41/24/79/598412479.db2.gz PUSDGNJAYHMREU-SDNWHVSQSA-N -1 3 364.405 3.108 20 0 FGADHM COc1ccccc1C/C(C)=C/C(=O)OCc1cccc(-c2nn[n-]n2)c1 ZINC000737153091 598412481 /nfs/dbraw/zinc/41/24/81/598412481.db2.gz PUSDGNJAYHMREU-SDNWHVSQSA-N -1 3 364.405 3.108 20 0 FGADHM CO[C@H](C)c1cccc(NC(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC000736962176 598412722 /nfs/dbraw/zinc/41/27/22/598412722.db2.gz NNHNJMCPOMOIAP-CYBMUJFWSA-N -1 3 366.425 3.238 20 0 FGADHM CO[C@H](C)c1cccc(NC(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC000736962176 598412723 /nfs/dbraw/zinc/41/27/23/598412723.db2.gz NNHNJMCPOMOIAP-CYBMUJFWSA-N -1 3 366.425 3.238 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N1CC[C@H](c2ccccc2F)C1 ZINC000737802812 598423388 /nfs/dbraw/zinc/42/33/88/598423388.db2.gz XQVIIRGMGOTTMT-KVPUOBJLSA-N -1 3 363.396 3.035 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N1CC[C@H](c2ccccc2F)C1 ZINC000737802812 598423390 /nfs/dbraw/zinc/42/33/90/598423390.db2.gz XQVIIRGMGOTTMT-KVPUOBJLSA-N -1 3 363.396 3.035 20 0 FGADHM CC(C)n1cc(NC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cn1 ZINC000735961617 598440773 /nfs/dbraw/zinc/44/07/73/598440773.db2.gz SPSFMPGYVWIHLD-UHFFFAOYSA-N -1 3 362.850 3.106 20 0 FGADHM CC(C)n1cc(NC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cn1 ZINC000735961617 598440775 /nfs/dbraw/zinc/44/07/75/598440775.db2.gz SPSFMPGYVWIHLD-UHFFFAOYSA-N -1 3 362.850 3.106 20 0 FGADHM CC(C)[C@H](NC(=O)c1ccc(-c2nnn[n-]2)cn1)c1ccc(Cl)cc1 ZINC000735720895 598440923 /nfs/dbraw/zinc/44/09/23/598440923.db2.gz LGZSJBUONLNMRN-HNNXBMFYSA-N -1 3 356.817 3.042 20 0 FGADHM CC(C)[C@H](NC(=O)c1ccc(-c2nn[n-]n2)cn1)c1ccc(Cl)cc1 ZINC000735720895 598440924 /nfs/dbraw/zinc/44/09/24/598440924.db2.gz LGZSJBUONLNMRN-HNNXBMFYSA-N -1 3 356.817 3.042 20 0 FGADHM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)cn1)c1cc(Cl)ccc1Cl ZINC000736119335 598442458 /nfs/dbraw/zinc/44/24/58/598442458.db2.gz OBGUIKLTHTYYSK-MRVPVSSYSA-N -1 3 363.208 3.060 20 0 FGADHM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)cn1)c1cc(Cl)ccc1Cl ZINC000736119335 598442461 /nfs/dbraw/zinc/44/24/61/598442461.db2.gz OBGUIKLTHTYYSK-MRVPVSSYSA-N -1 3 363.208 3.060 20 0 FGADHM CCCCN(C(=O)c1ccc(-c2nnn[n-]2)cn1)[C@@H](C)c1ccc(C)o1 ZINC000736451079 598442591 /nfs/dbraw/zinc/44/25/91/598442591.db2.gz GMANLXPFJQPIMS-ZDUSSCGKSA-N -1 3 354.414 3.167 20 0 FGADHM CCCCN(C(=O)c1ccc(-c2nn[n-]n2)cn1)[C@@H](C)c1ccc(C)o1 ZINC000736451079 598442593 /nfs/dbraw/zinc/44/25/93/598442593.db2.gz GMANLXPFJQPIMS-ZDUSSCGKSA-N -1 3 354.414 3.167 20 0 FGADHM CCC(CC)[C@H](NC(=O)c1ccc(-c2nnn[n-]2)cn1)c1cccs1 ZINC000736337674 598446406 /nfs/dbraw/zinc/44/64/06/598446406.db2.gz MXSOQIKUPPJNSN-HNNXBMFYSA-N -1 3 356.455 3.231 20 0 FGADHM CCC(CC)[C@H](NC(=O)c1ccc(-c2nn[n-]n2)cn1)c1cccs1 ZINC000736337674 598446408 /nfs/dbraw/zinc/44/64/08/598446408.db2.gz MXSOQIKUPPJNSN-HNNXBMFYSA-N -1 3 356.455 3.231 20 0 FGADHM O=C(Nc1ccccc1COc1ccccc1)c1ccc(-c2nnn[n-]2)cn1 ZINC000738189467 598447747 /nfs/dbraw/zinc/44/77/47/598447747.db2.gz FJLCFGPLODIIRW-UHFFFAOYSA-N -1 3 372.388 3.093 20 0 FGADHM O=C(Nc1ccccc1COc1ccccc1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738189467 598447749 /nfs/dbraw/zinc/44/77/49/598447749.db2.gz FJLCFGPLODIIRW-UHFFFAOYSA-N -1 3 372.388 3.093 20 0 FGADHM CSCc1ccc(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000737182431 598450386 /nfs/dbraw/zinc/45/03/86/598450386.db2.gz QXCXPSJPYVKFQY-FLIBITNWSA-N -1 3 351.435 3.382 20 0 FGADHM CSCc1ccc(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000737182431 598450388 /nfs/dbraw/zinc/45/03/88/598450388.db2.gz QXCXPSJPYVKFQY-FLIBITNWSA-N -1 3 351.435 3.382 20 0 FGADHM CCCCN(Cc1ccccc1Cl)C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000736456223 598452629 /nfs/dbraw/zinc/45/26/29/598452629.db2.gz FUAQKOKLFNTKHD-UHFFFAOYSA-N -1 3 370.844 3.358 20 0 FGADHM CCCCN(Cc1ccccc1Cl)C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000736456223 598452630 /nfs/dbraw/zinc/45/26/30/598452630.db2.gz FUAQKOKLFNTKHD-UHFFFAOYSA-N -1 3 370.844 3.358 20 0 FGADHM Cc1nc([C@H](C)NC(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)cs1 ZINC000737469649 598471643 /nfs/dbraw/zinc/47/16/43/598471643.db2.gz AZIVLNXYAPECAC-VIFPVBQESA-N -1 3 374.474 3.071 20 0 FGADHM Cc1nc([C@H](C)NC(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)cs1 ZINC000737469649 598471644 /nfs/dbraw/zinc/47/16/44/598471644.db2.gz AZIVLNXYAPECAC-VIFPVBQESA-N -1 3 374.474 3.071 20 0 FGADHM COc1ccccc1C(C)=CC(=O)OCc1ccc(-c2nnn[n-]2)cc1F ZINC000737141231 598475118 /nfs/dbraw/zinc/47/51/18/598475118.db2.gz IFZFTVJDPJLKFU-XFXZXTDPSA-N -1 3 368.368 3.161 20 0 FGADHM COc1ccccc1C(C)=CC(=O)OCc1ccc(-c2nn[n-]n2)cc1F ZINC000737141231 598475120 /nfs/dbraw/zinc/47/51/20/598475120.db2.gz IFZFTVJDPJLKFU-XFXZXTDPSA-N -1 3 368.368 3.161 20 0 FGADHM C[C@@H](NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1)c1ccccc1 ZINC000736112023 598475910 /nfs/dbraw/zinc/47/59/10/598475910.db2.gz OQGIERUWWOGDHL-CQSZACIVSA-N -1 3 362.437 3.302 20 0 FGADHM C[C@@H](NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1)c1ccccc1 ZINC000736112023 598475912 /nfs/dbraw/zinc/47/59/12/598475912.db2.gz OQGIERUWWOGDHL-CQSZACIVSA-N -1 3 362.437 3.302 20 0 FGADHM C[C@H](OC(=O)CCc1cccc(F)c1F)c1cccc(-c2nnn[n-]2)c1 ZINC000736153264 598482985 /nfs/dbraw/zinc/48/29/85/598482985.db2.gz XGSOQWWFUMIWDT-NSHDSACASA-N -1 3 358.348 3.382 20 0 FGADHM C[C@H](OC(=O)CCc1cccc(F)c1F)c1cccc(-c2nn[n-]n2)c1 ZINC000736153264 598482987 /nfs/dbraw/zinc/48/29/87/598482987.db2.gz XGSOQWWFUMIWDT-NSHDSACASA-N -1 3 358.348 3.382 20 0 FGADHM C[C@H](Cc1cccc(F)c1)C(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000736059720 598484055 /nfs/dbraw/zinc/48/40/55/598484055.db2.gz WAKIGQWJXCCCDV-CHWSQXEVSA-N -1 3 354.385 3.489 20 0 FGADHM C[C@H](Cc1cccc(F)c1)C(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000736059720 598484056 /nfs/dbraw/zinc/48/40/56/598484056.db2.gz WAKIGQWJXCCCDV-CHWSQXEVSA-N -1 3 354.385 3.489 20 0 FGADHM COc1ccc(C)cc1CC(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000737077638 598486624 /nfs/dbraw/zinc/48/66/24/598486624.db2.gz RSPLJQSPPXLWPT-CYBMUJFWSA-N -1 3 352.394 3.031 20 0 FGADHM COc1ccc(C)cc1CC(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000737077638 598486627 /nfs/dbraw/zinc/48/66/27/598486627.db2.gz RSPLJQSPPXLWPT-CYBMUJFWSA-N -1 3 352.394 3.031 20 0 FGADHM C[C@@H](OC(=O)c1c(Cl)nc2ccccn21)c1cccc(-c2nnn[n-]2)c1 ZINC000736160482 598487614 /nfs/dbraw/zinc/48/76/14/598487614.db2.gz QIIRDIKDJZHJBU-SNVBAGLBSA-N -1 3 368.784 3.086 20 0 FGADHM C[C@@H](OC(=O)c1c(Cl)nc2ccccn21)c1cccc(-c2nn[n-]n2)c1 ZINC000736160482 598487616 /nfs/dbraw/zinc/48/76/16/598487616.db2.gz QIIRDIKDJZHJBU-SNVBAGLBSA-N -1 3 368.784 3.086 20 0 FGADHM COc1ccc(CCC(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1F ZINC000737086203 598488507 /nfs/dbraw/zinc/48/85/07/598488507.db2.gz FVRKFWGNCHNSGJ-LBPRGKRZSA-N -1 3 370.384 3.251 20 0 FGADHM COc1ccc(CCC(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1F ZINC000737086203 598488509 /nfs/dbraw/zinc/48/85/09/598488509.db2.gz FVRKFWGNCHNSGJ-LBPRGKRZSA-N -1 3 370.384 3.251 20 0 FGADHM CCc1ccccc1OCC(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000736701393 598488593 /nfs/dbraw/zinc/48/85/93/598488593.db2.gz BHRYZUGRRXOIOM-ZDUSSCGKSA-N -1 3 352.394 3.112 20 0 FGADHM CCc1ccccc1OCC(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000736701393 598488594 /nfs/dbraw/zinc/48/85/94/598488594.db2.gz BHRYZUGRRXOIOM-ZDUSSCGKSA-N -1 3 352.394 3.112 20 0 FGADHM COc1ccc([C@@H](C)C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)cc1 ZINC000737074739 598488878 /nfs/dbraw/zinc/48/88/78/598488878.db2.gz YSFZVPOQDXAKBQ-GFCCVEGCSA-N -1 3 368.441 3.174 20 0 FGADHM COc1ccc([C@@H](C)C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)cc1 ZINC000737074739 598488880 /nfs/dbraw/zinc/48/88/80/598488880.db2.gz YSFZVPOQDXAKBQ-GFCCVEGCSA-N -1 3 368.441 3.174 20 0 FGADHM CC[C@@H](Sc1ccc(-c2nnn[n-]2)cn1)C(=O)c1ccc(OC)cc1 ZINC000736392368 598492135 /nfs/dbraw/zinc/49/21/35/598492135.db2.gz RFLOBJXABNPXCH-CQSZACIVSA-N -1 3 355.423 3.024 20 0 FGADHM CC[C@@H](Sc1ccc(-c2nn[n-]n2)cn1)C(=O)c1ccc(OC)cc1 ZINC000736392368 598492136 /nfs/dbraw/zinc/49/21/36/598492136.db2.gz RFLOBJXABNPXCH-CQSZACIVSA-N -1 3 355.423 3.024 20 0 FGADHM O=C(C[C@@H]1CCCc2ccccc21)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737824050 598495460 /nfs/dbraw/zinc/49/54/60/598495460.db2.gz TVXSLXVLPDUBTM-AWEZNQCLSA-N -1 3 365.412 3.132 20 0 FGADHM O=C(C[C@@H]1CCCc2ccccc21)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737824050 598495461 /nfs/dbraw/zinc/49/54/61/598495461.db2.gz TVXSLXVLPDUBTM-AWEZNQCLSA-N -1 3 365.412 3.132 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)NCCCCCc1ccccc1 ZINC000737796911 598496448 /nfs/dbraw/zinc/49/64/48/598496448.db2.gz BZELJQXWIUIGEQ-PFONDFGASA-N -1 3 361.449 3.409 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)NCCCCCc1ccccc1 ZINC000737796911 598496449 /nfs/dbraw/zinc/49/64/49/598496449.db2.gz BZELJQXWIUIGEQ-PFONDFGASA-N -1 3 361.449 3.409 20 0 FGADHM Fc1ccccc1Cc1nnc(SCc2cccc(-c3nnn[n-]3)c2)o1 ZINC000737670322 598497292 /nfs/dbraw/zinc/49/72/92/598497292.db2.gz VCUAGFDFBITWPP-UHFFFAOYSA-N -1 3 368.397 3.272 20 0 FGADHM Fc1ccccc1Cc1nnc(SCc2cccc(-c3nn[n-]n3)c2)o1 ZINC000737670322 598497293 /nfs/dbraw/zinc/49/72/93/598497293.db2.gz VCUAGFDFBITWPP-UHFFFAOYSA-N -1 3 368.397 3.272 20 0 FGADHM O[C@@H](c1ccc(F)cc1)C1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000738387977 598504496 /nfs/dbraw/zinc/50/44/96/598504496.db2.gz QYPHCWRRQSQHQZ-SFHVURJKSA-N -1 3 371.391 3.095 20 0 FGADHM Clc1ccc(NC[C@H]2CCN(c3ccccc3)C2)c(-c2nnn[n-]2)c1 ZINC000737574066 598508111 /nfs/dbraw/zinc/50/81/11/598508111.db2.gz KSBHBRIHEBDLMA-CYBMUJFWSA-N -1 3 354.845 3.459 20 0 FGADHM Clc1ccc(NC[C@H]2CCN(c3ccccc3)C2)c(-c2nn[n-]n2)c1 ZINC000737574066 598508112 /nfs/dbraw/zinc/50/81/12/598508112.db2.gz KSBHBRIHEBDLMA-CYBMUJFWSA-N -1 3 354.845 3.459 20 0 FGADHM Fc1ccc(-c2noc(CSCc3cccc(-c4nnn[n-]4)c3)n2)cc1 ZINC000737652536 598512235 /nfs/dbraw/zinc/51/22/35/598512235.db2.gz UVYUUWPMNMGLLH-UHFFFAOYSA-N -1 3 368.397 3.489 20 0 FGADHM Fc1ccc(-c2noc(CSCc3cccc(-c4nn[n-]n4)c3)n2)cc1 ZINC000737652536 598512237 /nfs/dbraw/zinc/51/22/37/598512237.db2.gz UVYUUWPMNMGLLH-UHFFFAOYSA-N -1 3 368.397 3.489 20 0 FGADHM COc1ccc(C(=O)OCc2cc(-c3nnn[n-]3)ccc2F)c(Cl)c1 ZINC000737070729 598512549 /nfs/dbraw/zinc/51/25/49/598512549.db2.gz BYVMNHWAKNHZAX-UHFFFAOYSA-N -1 3 362.748 3.025 20 0 FGADHM COc1ccc(C(=O)OCc2cc(-c3nn[n-]n3)ccc2F)c(Cl)c1 ZINC000737070729 598512551 /nfs/dbraw/zinc/51/25/51/598512551.db2.gz BYVMNHWAKNHZAX-UHFFFAOYSA-N -1 3 362.748 3.025 20 0 FGADHM C[C@H]1C[C@@H]1NC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000736235880 598532412 /nfs/dbraw/zinc/53/24/12/598532412.db2.gz HRMYLZJRFYENOF-NHYWBVRUSA-N -1 3 350.382 3.189 20 0 FGADHM C[C@H]1C[C@@H]1NC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000736235880 598532414 /nfs/dbraw/zinc/53/24/14/598532414.db2.gz HRMYLZJRFYENOF-NHYWBVRUSA-N -1 3 350.382 3.189 20 0 FGADHM O=C(COc1ccc(-c2nn[n-]n2)cc1)N(c1ccccc1)C1CCCC1 ZINC000737921127 598535452 /nfs/dbraw/zinc/53/54/52/598535452.db2.gz UXWRJGPHOYWUCG-UHFFFAOYSA-N -1 3 363.421 3.221 20 0 FGADHM CC[C@H](C)N(Cc1ccccc1)C(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC000736327188 598536123 /nfs/dbraw/zinc/53/61/23/598536123.db2.gz PFVPSULWUWKFID-HNNXBMFYSA-N -1 3 364.453 3.106 20 0 FGADHM Cc1cc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)sc1C ZINC000737236367 598546652 /nfs/dbraw/zinc/54/66/52/598546652.db2.gz JHHZCNRMFGZGFE-UHFFFAOYSA-N -1 3 365.365 3.399 20 0 FGADHM Cc1cc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)sc1C ZINC000737236367 598546653 /nfs/dbraw/zinc/54/66/53/598546653.db2.gz JHHZCNRMFGZGFE-UHFFFAOYSA-N -1 3 365.365 3.399 20 0 FGADHM Clc1cccc(OCCn2ccc(-c3ccc(-c4nnn[n-]4)cc3)n2)c1 ZINC000737573938 598567776 /nfs/dbraw/zinc/56/77/76/598567776.db2.gz HPNSGFREWINWLO-UHFFFAOYSA-N -1 3 366.812 3.463 20 0 FGADHM Clc1cccc(OCCn2ccc(-c3ccc(-c4nn[n-]n4)cc3)n2)c1 ZINC000737573938 598567777 /nfs/dbraw/zinc/56/77/77/598567777.db2.gz HPNSGFREWINWLO-UHFFFAOYSA-N -1 3 366.812 3.463 20 0 FGADHM Cc1cc(C)cc(NC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737251594 598570822 /nfs/dbraw/zinc/57/08/22/598570822.db2.gz UGSQGUAEHRLYBR-SFHVURJKSA-N -1 3 362.437 3.091 20 0 FGADHM Cc1cc(C(=O)Nc2ccccc2-c2nnn[n-]2)c2c(n1)onc2C(C)C ZINC000737239046 598571659 /nfs/dbraw/zinc/57/16/59/598571659.db2.gz YTIXLZNOWQDKFC-UHFFFAOYSA-N -1 3 363.381 3.087 20 0 FGADHM Cc1cc(C(=O)Nc2ccccc2-c2nn[n-]n2)c2c(n1)onc2C(C)C ZINC000737239046 598571661 /nfs/dbraw/zinc/57/16/61/598571661.db2.gz YTIXLZNOWQDKFC-UHFFFAOYSA-N -1 3 363.381 3.087 20 0 FGADHM O=C(Nc1ccccc1-c1nnn[n-]1)c1cc(-c2ccccc2Cl)on1 ZINC000738192490 598573892 /nfs/dbraw/zinc/57/38/92/598573892.db2.gz RTKBJXGBRVVAII-UHFFFAOYSA-N -1 3 366.768 3.427 20 0 FGADHM O=C(Nc1ccccc1-c1nn[n-]n1)c1cc(-c2ccccc2Cl)on1 ZINC000738192490 598573894 /nfs/dbraw/zinc/57/38/94/598573894.db2.gz RTKBJXGBRVVAII-UHFFFAOYSA-N -1 3 366.768 3.427 20 0 FGADHM CC(C)c1cc(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)nn1C(C)(C)C ZINC000735922993 598585475 /nfs/dbraw/zinc/58/54/75/598585475.db2.gz RCIDEGIKNZDTQU-UHFFFAOYSA-N -1 3 371.420 3.333 20 0 FGADHM CC(C)c1cc(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)nn1C(C)(C)C ZINC000735922993 598585477 /nfs/dbraw/zinc/58/54/77/598585477.db2.gz RCIDEGIKNZDTQU-UHFFFAOYSA-N -1 3 371.420 3.333 20 0 FGADHM CCc1cccc2c(CC(=O)Nc3sccc3-c3nnn[n-]3)c[nH]c21 ZINC000736695270 598586030 /nfs/dbraw/zinc/58/60/30/598586030.db2.gz KDUNCSACRQQCBL-UHFFFAOYSA-N -1 3 352.423 3.153 20 0 FGADHM CCc1cccc2c(CC(=O)Nc3sccc3-c3nn[n-]n3)c[nH]c21 ZINC000736695270 598586032 /nfs/dbraw/zinc/58/60/32/598586032.db2.gz KDUNCSACRQQCBL-UHFFFAOYSA-N -1 3 352.423 3.153 20 0 FGADHM CC(C)COc1ccc(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000735837080 598590458 /nfs/dbraw/zinc/59/04/58/598590458.db2.gz FQWAQHGVGHIUCS-UHFFFAOYSA-N -1 3 355.373 3.293 20 0 FGADHM CC(C)COc1ccc(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000735837080 598590460 /nfs/dbraw/zinc/59/04/60/598590460.db2.gz FQWAQHGVGHIUCS-UHFFFAOYSA-N -1 3 355.373 3.293 20 0 FGADHM Cc1ccc(OCCCC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000737365662 598590765 /nfs/dbraw/zinc/59/07/65/598590765.db2.gz LKCOHMHPNAWYIW-UHFFFAOYSA-N -1 3 355.373 3.112 20 0 FGADHM Cc1ccc(OCCCC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000737365662 598590766 /nfs/dbraw/zinc/59/07/66/598590766.db2.gz LKCOHMHPNAWYIW-UHFFFAOYSA-N -1 3 355.373 3.112 20 0 FGADHM Cc1cccc(OCCCC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000737401656 598590911 /nfs/dbraw/zinc/59/09/11/598590911.db2.gz OONMYSLTXSICFR-UHFFFAOYSA-N -1 3 355.373 3.112 20 0 FGADHM Cc1cccc(OCCCC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000737401656 598590913 /nfs/dbraw/zinc/59/09/13/598590913.db2.gz OONMYSLTXSICFR-UHFFFAOYSA-N -1 3 355.373 3.112 20 0 FGADHM CCc1cc(Sc2ccc(-c3nnn[n-]3)cc2)nc(-c2ccncc2)n1 ZINC000736678114 598592197 /nfs/dbraw/zinc/59/21/97/598592197.db2.gz SJZUYKGPDXTXOP-UHFFFAOYSA-N -1 3 361.434 3.432 20 0 FGADHM CCc1cc(Sc2ccc(-c3nn[n-]n3)cc2)nc(-c2ccncc2)n1 ZINC000736678114 598592199 /nfs/dbraw/zinc/59/21/99/598592199.db2.gz SJZUYKGPDXTXOP-UHFFFAOYSA-N -1 3 361.434 3.432 20 0 FGADHM CC(C)Cc1noc(-c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)n1 ZINC000735850733 598610542 /nfs/dbraw/zinc/61/05/42/598610542.db2.gz GIYUUQGVVLZKAY-UHFFFAOYSA-N -1 3 366.381 3.287 20 0 FGADHM Fc1cccc(N2CCC[C@@H]2c2ccc3c(c2)OCO3)c1-c1nnn[n-]1 ZINC000737659947 598613761 /nfs/dbraw/zinc/61/37/61/598613761.db2.gz GMJCZNNJKGAOMH-CYBMUJFWSA-N -1 3 353.357 3.076 20 0 FGADHM Fc1cccc(N2CCC[C@@H]2c2ccc3c(c2)OCO3)c1-c1nn[n-]n1 ZINC000737659947 598613762 /nfs/dbraw/zinc/61/37/62/598613762.db2.gz GMJCZNNJKGAOMH-CYBMUJFWSA-N -1 3 353.357 3.076 20 0 FGADHM CCC[C@H]1CCCC[C@H]1NC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736435395 598617197 /nfs/dbraw/zinc/61/71/97/598617197.db2.gz LKZQIQNZMJJISL-DOTOQJQBSA-N -1 3 356.474 3.367 20 0 FGADHM CCC[C@H]1CCCC[C@H]1NC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736435395 598617199 /nfs/dbraw/zinc/61/71/99/598617199.db2.gz LKZQIQNZMJJISL-DOTOQJQBSA-N -1 3 356.474 3.367 20 0 FGADHM CCC[C@H]1CCCC[C@@H]1NC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736435398 598617258 /nfs/dbraw/zinc/61/72/58/598617258.db2.gz LKZQIQNZMJJISL-RDJZCZTQSA-N -1 3 356.474 3.367 20 0 FGADHM CCC[C@H]1CCCC[C@@H]1NC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736435398 598617259 /nfs/dbraw/zinc/61/72/59/598617259.db2.gz LKZQIQNZMJJISL-RDJZCZTQSA-N -1 3 356.474 3.367 20 0 FGADHM CCOc1ccccc1[C@@H](C)NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736653992 598629475 /nfs/dbraw/zinc/62/94/75/598629475.db2.gz HHMXSMOFBRMFDK-LLVKDONJSA-N -1 3 370.388 3.287 20 0 FGADHM CCOc1ccccc1[C@@H](C)NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736653992 598629477 /nfs/dbraw/zinc/62/94/77/598629477.db2.gz HHMXSMOFBRMFDK-LLVKDONJSA-N -1 3 370.388 3.287 20 0 FGADHM Cc1nc2ccccc2n1CCNc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000737490182 598630779 /nfs/dbraw/zinc/63/07/79/598630779.db2.gz QZXZDMHXSGPVLJ-UHFFFAOYSA-N -1 3 353.817 3.290 20 0 FGADHM Cc1nc2ccccc2n1CCNc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000737490182 598630781 /nfs/dbraw/zinc/63/07/81/598630781.db2.gz QZXZDMHXSGPVLJ-UHFFFAOYSA-N -1 3 353.817 3.290 20 0 FGADHM Cc1cccc(N2CCN(c3cc(Cl)ccc3-c3nnn[n-]3)CC2)c1 ZINC000737400024 598631772 /nfs/dbraw/zinc/63/17/72/598631772.db2.gz PIRUPTMKTCFENS-UHFFFAOYSA-N -1 3 354.845 3.155 20 0 FGADHM Cc1cccc(N2CCN(c3cc(Cl)ccc3-c3nn[n-]n3)CC2)c1 ZINC000737400024 598631773 /nfs/dbraw/zinc/63/17/73/598631773.db2.gz PIRUPTMKTCFENS-UHFFFAOYSA-N -1 3 354.845 3.155 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N(Cc1ccccc1)C1CC1 ZINC000738164432 598631912 /nfs/dbraw/zinc/63/19/12/598631912.db2.gz ZRZXNGRFJWHWHW-UHFFFAOYSA-N -1 3 352.373 3.202 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N(Cc1ccccc1)C1CC1 ZINC000738164432 598631914 /nfs/dbraw/zinc/63/19/14/598631914.db2.gz ZRZXNGRFJWHWHW-UHFFFAOYSA-N -1 3 352.373 3.202 20 0 FGADHM Fc1ccc([C@H]2CN(c3cc(Cl)ccc3-c3nnn[n-]3)CCO2)cc1 ZINC000737647462 598633813 /nfs/dbraw/zinc/63/38/13/598633813.db2.gz DQUCMLRMQBECBL-MRXNPFEDSA-N -1 3 359.792 3.237 20 0 FGADHM Fc1ccc([C@H]2CN(c3cc(Cl)ccc3-c3nn[n-]n3)CCO2)cc1 ZINC000737647462 598633815 /nfs/dbraw/zinc/63/38/15/598633815.db2.gz DQUCMLRMQBECBL-MRXNPFEDSA-N -1 3 359.792 3.237 20 0 FGADHM COc1ccc(C[C@H](C)OC(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000737087368 598642275 /nfs/dbraw/zinc/64/22/75/598642275.db2.gz MYWCZCULCYQHTN-UQTJOTSZSA-N -1 3 364.405 3.063 20 0 FGADHM COc1ccc(C[C@H](C)OC(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000737087368 598642277 /nfs/dbraw/zinc/64/22/77/598642277.db2.gz MYWCZCULCYQHTN-UQTJOTSZSA-N -1 3 364.405 3.063 20 0 FGADHM Fc1ccc(COc2ccc(Br)cc2F)c(-c2nnn[n-]2)c1 ZINC000737650531 598643907 /nfs/dbraw/zinc/64/39/07/598643907.db2.gz SHDIGHZXNNGVNZ-UHFFFAOYSA-N -1 3 367.153 3.486 20 0 FGADHM Fc1ccc(COc2ccc(Br)cc2F)c(-c2nn[n-]n2)c1 ZINC000737650531 598643908 /nfs/dbraw/zinc/64/39/08/598643908.db2.gz SHDIGHZXNNGVNZ-UHFFFAOYSA-N -1 3 367.153 3.486 20 0 FGADHM Cc1ccc(NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737355844 598643963 /nfs/dbraw/zinc/64/39/63/598643963.db2.gz LKYUISAHAZUYMY-UHFFFAOYSA-N -1 3 351.410 3.363 20 0 FGADHM Cc1ccc(NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737355844 598643965 /nfs/dbraw/zinc/64/39/65/598643965.db2.gz LKYUISAHAZUYMY-UHFFFAOYSA-N -1 3 351.410 3.363 20 0 FGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)Nc1ccc2c(c1)CCC2 ZINC000737948232 598647721 /nfs/dbraw/zinc/64/77/21/598647721.db2.gz QTVOPAUCWBHMFN-UHFFFAOYSA-N -1 3 351.435 3.086 20 0 FGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)Nc1ccc2c(c1)CCC2 ZINC000737948232 598647723 /nfs/dbraw/zinc/64/77/23/598647723.db2.gz QTVOPAUCWBHMFN-UHFFFAOYSA-N -1 3 351.435 3.086 20 0 FGADHM C[C@@H]1CCC[C@H](NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)[C@H]1C ZINC000736251566 598647932 /nfs/dbraw/zinc/64/79/32/598647932.db2.gz JLVRJTZILRFPSD-VKJFTORMSA-N -1 3 371.485 3.357 20 0 FGADHM C[C@@H]1CCC[C@H](NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)[C@H]1C ZINC000736251566 598647934 /nfs/dbraw/zinc/64/79/34/598647934.db2.gz JLVRJTZILRFPSD-VKJFTORMSA-N -1 3 371.485 3.357 20 0 FGADHM CSc1ccc(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737191789 598650607 /nfs/dbraw/zinc/65/06/07/598650607.db2.gz VQJYJTSIKQXABZ-UHFFFAOYSA-N -1 3 357.464 3.319 20 0 FGADHM CSc1ccc(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737191789 598650608 /nfs/dbraw/zinc/65/06/08/598650608.db2.gz VQJYJTSIKQXABZ-UHFFFAOYSA-N -1 3 357.464 3.319 20 0 FGADHM O[C@@H](CNc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cccc(Cl)c1 ZINC000738381913 598652325 /nfs/dbraw/zinc/65/23/25/598652325.db2.gz IYBFKDPEDIGAPS-AWEZNQCLSA-N -1 3 350.209 3.319 20 0 FGADHM O[C@@H](CNc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cccc(Cl)c1 ZINC000738381913 598652327 /nfs/dbraw/zinc/65/23/27/598652327.db2.gz IYBFKDPEDIGAPS-AWEZNQCLSA-N -1 3 350.209 3.319 20 0 FGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)Nc1ccc2ncccc2c1 ZINC000737946868 598654213 /nfs/dbraw/zinc/65/42/13/598654213.db2.gz HODRNAQNINNGHP-UHFFFAOYSA-N -1 3 362.418 3.146 20 0 FGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)Nc1ccc2ncccc2c1 ZINC000737946868 598654215 /nfs/dbraw/zinc/65/42/15/598654215.db2.gz HODRNAQNINNGHP-UHFFFAOYSA-N -1 3 362.418 3.146 20 0 FGADHM CCC[C@@H](CC)NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000736421969 598655974 /nfs/dbraw/zinc/65/59/74/598655974.db2.gz DEOPIEPYDWEQJB-OAHLLOKOSA-N -1 3 366.425 3.363 20 0 FGADHM CCC[C@@H](CC)NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000736421969 598655976 /nfs/dbraw/zinc/65/59/76/598655976.db2.gz DEOPIEPYDWEQJB-OAHLLOKOSA-N -1 3 366.425 3.363 20 0 FGADHM C[C@H]1CN(c2ccc(-c3nnn[n-]3)c(Cl)c2)C[C@H](c2ccccc2)O1 ZINC000736289480 598657334 /nfs/dbraw/zinc/65/73/34/598657334.db2.gz MCDFUNXAVYDHOT-YVEFUNNKSA-N -1 3 355.829 3.487 20 0 FGADHM C[C@H]1CN(c2ccc(-c3nn[n-]n3)c(Cl)c2)C[C@H](c2ccccc2)O1 ZINC000736289480 598657336 /nfs/dbraw/zinc/65/73/36/598657336.db2.gz MCDFUNXAVYDHOT-YVEFUNNKSA-N -1 3 355.829 3.487 20 0 FGADHM CC[C@H](NC(=O)CSc1ccc(-c2nnn[n-]2)cc1)C1CCCCC1 ZINC000736364149 598657866 /nfs/dbraw/zinc/65/78/66/598657866.db2.gz RTRBUTLVYHAYQO-INIZCTEOSA-N -1 3 359.499 3.434 20 0 FGADHM CC[C@H](NC(=O)CSc1ccc(-c2nn[n-]n2)cc1)C1CCCCC1 ZINC000736364149 598657867 /nfs/dbraw/zinc/65/78/67/598657867.db2.gz RTRBUTLVYHAYQO-INIZCTEOSA-N -1 3 359.499 3.434 20 0 FGADHM CC(C)(CNC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000735666576 598660882 /nfs/dbraw/zinc/66/08/82/598660882.db2.gz PBLGULSWZUEFPZ-GHXNOFRVSA-N -1 3 365.412 3.113 20 0 FGADHM CC(C)(CNC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000735666576 598660883 /nfs/dbraw/zinc/66/08/83/598660883.db2.gz PBLGULSWZUEFPZ-GHXNOFRVSA-N -1 3 365.412 3.113 20 0 FGADHM CN(C(=O)c1ccc(-c2nnn[n-]2)cc1)[C@@H](c1ccccc1)C(F)(F)F ZINC000736748790 598662009 /nfs/dbraw/zinc/66/20/09/598662009.db2.gz KQQBUJVRYUKHTI-AWEZNQCLSA-N -1 3 361.327 3.242 20 0 FGADHM CN(C(=O)c1ccc(-c2nn[n-]n2)cc1)[C@@H](c1ccccc1)C(F)(F)F ZINC000736748790 598662011 /nfs/dbraw/zinc/66/20/11/598662011.db2.gz KQQBUJVRYUKHTI-AWEZNQCLSA-N -1 3 361.327 3.242 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cn1)[C@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000738152394 598662117 /nfs/dbraw/zinc/66/21/17/598662117.db2.gz XLMCLVPYDQMNKO-IRXDYDNUSA-N -1 3 356.389 3.157 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cn1)[C@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000738152394 598662119 /nfs/dbraw/zinc/66/21/19/598662119.db2.gz XLMCLVPYDQMNKO-IRXDYDNUSA-N -1 3 356.389 3.157 20 0 FGADHM Clc1cc(NCc2ccc(-n3ccnc3)cc2)ccc1-c1nnn[n-]1 ZINC000737563800 598665520 /nfs/dbraw/zinc/66/55/20/598665520.db2.gz GLHMYNZXATWZCA-UHFFFAOYSA-N -1 3 351.801 3.318 20 0 FGADHM Clc1cc(NCc2ccc(-n3ccnc3)cc2)ccc1-c1nn[n-]n1 ZINC000737563800 598665522 /nfs/dbraw/zinc/66/55/22/598665522.db2.gz GLHMYNZXATWZCA-UHFFFAOYSA-N -1 3 351.801 3.318 20 0 FGADHM CC[C@H](C)CN(C)C(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000736322635 598666596 /nfs/dbraw/zinc/66/65/96/598666596.db2.gz MSEPJACWDRUPAD-ZDUSSCGKSA-N -1 3 369.425 3.157 20 0 FGADHM CC[C@H](C)CN(C)C(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000736322635 598666598 /nfs/dbraw/zinc/66/65/98/598666598.db2.gz MSEPJACWDRUPAD-ZDUSSCGKSA-N -1 3 369.425 3.157 20 0 FGADHM O=C(c1ccc(-c2nnn[n-]2)cc1)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000738253171 598670486 /nfs/dbraw/zinc/67/04/86/598670486.db2.gz ANMGEHGDGRXZCY-OAHLLOKOSA-N -1 3 353.813 3.150 20 0 FGADHM O=C(c1ccc(-c2nn[n-]n2)cc1)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000738253171 598670487 /nfs/dbraw/zinc/67/04/87/598670487.db2.gz ANMGEHGDGRXZCY-OAHLLOKOSA-N -1 3 353.813 3.150 20 0 FGADHM Cc1cccc2[nH]cc(CCNc3nc4c(cc3-c3nnn[n-]3)CCC4)c21 ZINC000737407185 598674770 /nfs/dbraw/zinc/67/47/70/598674770.db2.gz AIDRKRQJWBEQTM-UHFFFAOYSA-N -1 3 359.437 3.195 20 0 FGADHM Cc1cccc2[nH]cc(CCNc3nc4c(cc3-c3nn[n-]n3)CCC4)c21 ZINC000737407185 598674771 /nfs/dbraw/zinc/67/47/71/598674771.db2.gz AIDRKRQJWBEQTM-UHFFFAOYSA-N -1 3 359.437 3.195 20 0 FGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)OCc1cccc(Cl)c1 ZINC000737946906 598715801 /nfs/dbraw/zinc/71/58/01/598715801.db2.gz ISKLOJPKOQAUPY-UHFFFAOYSA-N -1 3 360.826 3.356 20 0 FGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)OCc1cccc(Cl)c1 ZINC000737946906 598715803 /nfs/dbraw/zinc/71/58/03/598715803.db2.gz ISKLOJPKOQAUPY-UHFFFAOYSA-N -1 3 360.826 3.356 20 0 FGADHM C[C@H](CSc1ccccc1)C(=O)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000736046184 598723971 /nfs/dbraw/zinc/72/39/71/598723971.db2.gz GKDOZJWKSRETRR-CYBMUJFWSA-N -1 3 354.435 3.338 20 0 FGADHM C[C@H](CSc1ccccc1)C(=O)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000736046184 598723973 /nfs/dbraw/zinc/72/39/73/598723973.db2.gz GKDOZJWKSRETRR-CYBMUJFWSA-N -1 3 354.435 3.338 20 0 FGADHM CC(=CC(=O)OCc1ccc(-c2nnn[n-]2)cc1F)c1cccc(F)c1 ZINC000735449433 598724009 /nfs/dbraw/zinc/72/40/09/598724009.db2.gz YAQLPUNNWLKGJQ-XFFZJAGNSA-N -1 3 356.332 3.292 20 0 FGADHM CC(=CC(=O)OCc1ccc(-c2nn[n-]n2)cc1F)c1cccc(F)c1 ZINC000735449433 598724010 /nfs/dbraw/zinc/72/40/10/598724010.db2.gz YAQLPUNNWLKGJQ-XFFZJAGNSA-N -1 3 356.332 3.292 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N(CCc1ccccc1)C1CC1 ZINC000737290213 598725824 /nfs/dbraw/zinc/72/58/24/598725824.db2.gz CYZNVYADSYOLRL-UHFFFAOYSA-N -1 3 362.437 3.414 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N(CCc1ccccc1)C1CC1 ZINC000737290213 598725825 /nfs/dbraw/zinc/72/58/25/598725825.db2.gz CYZNVYADSYOLRL-UHFFFAOYSA-N -1 3 362.437 3.414 20 0 FGADHM Cc1ccc(COC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737341337 598726622 /nfs/dbraw/zinc/72/66/22/598726622.db2.gz GGSRNXUZWXRJSG-UHFFFAOYSA-N -1 3 366.421 3.468 20 0 FGADHM Cc1ccc(COC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737341337 598726623 /nfs/dbraw/zinc/72/66/23/598726623.db2.gz GGSRNXUZWXRJSG-UHFFFAOYSA-N -1 3 366.421 3.468 20 0 FGADHM COc1ccc([C@H](C)OC(=O)c2cccc(-c3nnn[n-]3)c2)cc1Cl ZINC000737075810 598729207 /nfs/dbraw/zinc/72/92/07/598729207.db2.gz OUXGJPBHHQPZLR-JTQLQIEISA-N -1 3 358.785 3.447 20 0 FGADHM COc1ccc([C@H](C)OC(=O)c2cccc(-c3nn[n-]n3)c2)cc1Cl ZINC000737075810 598729209 /nfs/dbraw/zinc/72/92/09/598729209.db2.gz OUXGJPBHHQPZLR-JTQLQIEISA-N -1 3 358.785 3.447 20 0 FGADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C(C)(C)c1ccccc1Cl ZINC000736814084 598736292 /nfs/dbraw/zinc/73/62/92/598736292.db2.gz OMOAQRHJTFBQKW-UHFFFAOYSA-N -1 3 369.856 3.456 20 0 FGADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C(C)(C)c1ccccc1Cl ZINC000736814084 598736293 /nfs/dbraw/zinc/73/62/93/598736293.db2.gz OMOAQRHJTFBQKW-UHFFFAOYSA-N -1 3 369.856 3.456 20 0 FGADHM CC(C)CC(CC(C)C)NC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000735760647 598748521 /nfs/dbraw/zinc/74/85/21/598748521.db2.gz FXRNZQIJZHSWQM-AWEZNQCLSA-N -1 3 359.474 3.211 20 0 FGADHM CCN(C(=O)C=Cc1cnc(C)s1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736503697 598763252 /nfs/dbraw/zinc/76/32/52/598763252.db2.gz ZTJWWJRRYWLKDL-PRDAAYKISA-N -1 3 368.466 3.255 20 0 FGADHM CCN(C(=O)C=Cc1cnc(C)s1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736503697 598763253 /nfs/dbraw/zinc/76/32/53/598763253.db2.gz ZTJWWJRRYWLKDL-PRDAAYKISA-N -1 3 368.466 3.255 20 0 FGADHM CSc1ccc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(C)C)o1 ZINC000737193378 598763900 /nfs/dbraw/zinc/76/39/00/598763900.db2.gz QHEFBVXFGMABGO-UHFFFAOYSA-N -1 3 359.411 3.221 20 0 FGADHM CSc1ccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(C)C)o1 ZINC000737193378 598763902 /nfs/dbraw/zinc/76/39/02/598763902.db2.gz QHEFBVXFGMABGO-UHFFFAOYSA-N -1 3 359.411 3.221 20 0 FGADHM Cc1ccccc1[C@H](CC(C)C)NC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000737424720 598765005 /nfs/dbraw/zinc/76/50/05/598765005.db2.gz WWJVPKITAUGREE-KRWDZBQOSA-N -1 3 350.426 3.087 20 0 FGADHM Cc1ccccc1[C@H](CC(C)C)NC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000737424720 598765007 /nfs/dbraw/zinc/76/50/07/598765007.db2.gz WWJVPKITAUGREE-KRWDZBQOSA-N -1 3 350.426 3.087 20 0 FGADHM Brc1ccc2c(c1)N(Cc1cccc(-c3nnn[n-]3)c1)CC2 ZINC000735369470 598776344 /nfs/dbraw/zinc/77/63/44/598776344.db2.gz VDFKRZNIPNVQLJ-UHFFFAOYSA-N -1 3 356.227 3.192 20 0 FGADHM Brc1ccc2c(c1)N(Cc1cccc(-c3nn[n-]n3)c1)CC2 ZINC000735369470 598776346 /nfs/dbraw/zinc/77/63/46/598776346.db2.gz VDFKRZNIPNVQLJ-UHFFFAOYSA-N -1 3 356.227 3.192 20 0 FGADHM CC(C)[C@@H]1CCC[C@@H](NC(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736113540 598781376 /nfs/dbraw/zinc/78/13/76/598781376.db2.gz PLCWHSHIVWDKNP-IAOVAPTHSA-N -1 3 356.474 3.442 20 0 FGADHM CC(C)[C@@H]1CCC[C@@H](NC(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736113540 598781377 /nfs/dbraw/zinc/78/13/77/598781377.db2.gz PLCWHSHIVWDKNP-IAOVAPTHSA-N -1 3 356.474 3.442 20 0 FGADHM CC[C@@H](C)OC(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000736327172 598784804 /nfs/dbraw/zinc/78/48/04/598784804.db2.gz PDDYPWIMTFIVBO-CYBMUJFWSA-N -1 3 352.394 3.401 20 0 FGADHM CC[C@@H](C)OC(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000736327172 598784805 /nfs/dbraw/zinc/78/48/05/598784805.db2.gz PDDYPWIMTFIVBO-CYBMUJFWSA-N -1 3 352.394 3.401 20 0 FGADHM CCOc1ncc(C(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1Cl ZINC000736654629 598785230 /nfs/dbraw/zinc/78/52/30/598785230.db2.gz HZCWCILEKJOOKQ-SNVBAGLBSA-N -1 3 373.800 3.232 20 0 FGADHM CCOc1ncc(C(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1Cl ZINC000736654629 598785231 /nfs/dbraw/zinc/78/52/31/598785231.db2.gz HZCWCILEKJOOKQ-SNVBAGLBSA-N -1 3 373.800 3.232 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)O[C@@H](C)CC(C)C ZINC000737033854 598785350 /nfs/dbraw/zinc/78/53/50/598785350.db2.gz VCJYKMMXHIJILQ-ZDUSSCGKSA-N -1 3 362.430 3.012 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)O[C@@H](C)CC(C)C ZINC000737033854 598785351 /nfs/dbraw/zinc/78/53/51/598785351.db2.gz VCJYKMMXHIJILQ-ZDUSSCGKSA-N -1 3 362.430 3.012 20 0 FGADHM CC(C)(C)COC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000735619077 598785374 /nfs/dbraw/zinc/78/53/74/598785374.db2.gz SUGKIRSTJRPRKC-UHFFFAOYSA-N -1 3 356.382 3.242 20 0 FGADHM CC(C)(C)COC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000735619077 598785375 /nfs/dbraw/zinc/78/53/75/598785375.db2.gz SUGKIRSTJRPRKC-UHFFFAOYSA-N -1 3 356.382 3.242 20 0 FGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H]1CCc2ccccc21 ZINC000735904558 598790165 /nfs/dbraw/zinc/79/01/65/598790165.db2.gz QGEWWRQNGIAVMJ-MRXNPFEDSA-N -1 3 363.421 3.322 20 0 FGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1CCc2ccccc21 ZINC000735904558 598790167 /nfs/dbraw/zinc/79/01/67/598790167.db2.gz QGEWWRQNGIAVMJ-MRXNPFEDSA-N -1 3 363.421 3.322 20 0 FGADHM Fc1cccc([C@@H]2CN(c3ccc(Cl)cc3-c3nnn[n-]3)CCO2)c1 ZINC000737667470 598796045 /nfs/dbraw/zinc/79/60/45/598796045.db2.gz QUGWXLIXKPEUKI-INIZCTEOSA-N -1 3 359.792 3.237 20 0 FGADHM Fc1cccc([C@@H]2CN(c3ccc(Cl)cc3-c3nn[n-]n3)CCO2)c1 ZINC000737667470 598796046 /nfs/dbraw/zinc/79/60/46/598796046.db2.gz QUGWXLIXKPEUKI-INIZCTEOSA-N -1 3 359.792 3.237 20 0 FGADHM O=C(CC1CCCCC1)NCCNc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000737819619 598796560 /nfs/dbraw/zinc/79/65/60/598796560.db2.gz ILZYXUAUZBWNIZ-UHFFFAOYSA-N -1 3 362.865 3.019 20 0 FGADHM O=C(CC1CCCCC1)NCCNc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000737819619 598796563 /nfs/dbraw/zinc/79/65/63/598796563.db2.gz ILZYXUAUZBWNIZ-UHFFFAOYSA-N -1 3 362.865 3.019 20 0 FGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)NC/C=C\c1ccccc1 ZINC000735661111 598797701 /nfs/dbraw/zinc/79/77/01/598797701.db2.gz RKLYDPGFRFKLOU-YFHOEESVSA-N -1 3 365.441 3.258 20 0 FGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)NC/C=C\c1ccccc1 ZINC000735661111 598797702 /nfs/dbraw/zinc/79/77/02/598797702.db2.gz RKLYDPGFRFKLOU-YFHOEESVSA-N -1 3 365.441 3.258 20 0 FGADHM CCC[C@H](NC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccccn1 ZINC000736431969 598800520 /nfs/dbraw/zinc/80/05/20/598800520.db2.gz YSRZGRNEQXJYNK-GUYCJALGSA-N -1 3 365.441 3.163 20 0 FGADHM CCC[C@H](NC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccccn1 ZINC000736431969 598800522 /nfs/dbraw/zinc/80/05/22/598800522.db2.gz YSRZGRNEQXJYNK-GUYCJALGSA-N -1 3 365.441 3.163 20 0 FGADHM CCN(C(=O)CO[C@@H]1CCCC[C@H]1C)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736505388 598802539 /nfs/dbraw/zinc/80/25/39/598802539.db2.gz MOTQZDFBGJVNNB-RVKKMQEKSA-N -1 3 371.485 3.372 20 0 FGADHM CCN(C(=O)CO[C@@H]1CCCC[C@H]1C)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736505388 598802540 /nfs/dbraw/zinc/80/25/40/598802540.db2.gz MOTQZDFBGJVNNB-RVKKMQEKSA-N -1 3 371.485 3.372 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)CO[C@@H]1CCCC[C@@H]1C ZINC000736479535 598802613 /nfs/dbraw/zinc/80/26/13/598802613.db2.gz LKCNIMWAGQADIZ-MAUKXSAKSA-N -1 3 371.485 3.201 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)CO[C@@H]1CCCC[C@@H]1C ZINC000736479535 598802614 /nfs/dbraw/zinc/80/26/14/598802614.db2.gz LKCNIMWAGQADIZ-MAUKXSAKSA-N -1 3 371.485 3.201 20 0 FGADHM CC(C)CN(C(=O)CO[C@H]1CCCC[C@H]1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000735819111 598803688 /nfs/dbraw/zinc/80/36/88/598803688.db2.gz SOGLMMVKAFLLIR-QAPCUYQASA-N -1 3 371.485 3.451 20 0 FGADHM CC(C)CN(C(=O)CO[C@H]1CCCC[C@H]1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000735819111 598803689 /nfs/dbraw/zinc/80/36/89/598803689.db2.gz SOGLMMVKAFLLIR-QAPCUYQASA-N -1 3 371.485 3.451 20 0 FGADHM O=C(CC(c1ccccc1)c1ccccc1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000737807072 598805054 /nfs/dbraw/zinc/80/50/54/598805054.db2.gz JKZJYOMDAGHRFP-UHFFFAOYSA-N -1 3 370.416 3.422 20 0 FGADHM O=C(CC(c1ccccc1)c1ccccc1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000737807072 598805055 /nfs/dbraw/zinc/80/50/55/598805055.db2.gz JKZJYOMDAGHRFP-UHFFFAOYSA-N -1 3 370.416 3.422 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N1CCCC[C@H]1c1nccs1 ZINC000737796474 598807567 /nfs/dbraw/zinc/80/75/67/598807567.db2.gz HAKDUHGKWNRFON-CDNLZTBQSA-N -1 3 366.450 3.090 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N1CCCC[C@H]1c1nccs1 ZINC000737796474 598807569 /nfs/dbraw/zinc/80/75/69/598807569.db2.gz HAKDUHGKWNRFON-CDNLZTBQSA-N -1 3 366.450 3.090 20 0 FGADHM Cc1ccccc1-c1csc(=O)n1Cc1ccc(-c2nnn[n-]2)cc1F ZINC000737418892 598818954 /nfs/dbraw/zinc/81/89/54/598818954.db2.gz RLMAURXTRXGYII-UHFFFAOYSA-N -1 3 367.409 3.253 20 0 FGADHM Cc1ccccc1-c1csc(=O)n1Cc1ccc(-c2nn[n-]n2)cc1F ZINC000737418892 598818956 /nfs/dbraw/zinc/81/89/56/598818956.db2.gz RLMAURXTRXGYII-UHFFFAOYSA-N -1 3 367.409 3.253 20 0 FGADHM CCN(C(=O)c1cc(C)nc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000736505761 599312033 /nfs/dbraw/zinc/31/20/33/599312033.db2.gz MMHHRVLSFCUHQB-UHFFFAOYSA-N -1 3 358.405 3.390 20 0 FGADHM CCN(C(=O)c1cc(C)nc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000736505761 599312036 /nfs/dbraw/zinc/31/20/36/599312036.db2.gz MMHHRVLSFCUHQB-UHFFFAOYSA-N -1 3 358.405 3.390 20 0 FGADHM C[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCO[C@H](c2cccc(F)c2)C1 ZINC000736197868 599313889 /nfs/dbraw/zinc/31/38/89/599313889.db2.gz CMBYQNGYJNSZRT-UGSOOPFHSA-N -1 3 353.401 3.140 20 0 FGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NCCOc1cccc(F)c1 ZINC000735906683 599327702 /nfs/dbraw/zinc/32/77/02/599327702.db2.gz TWUSEPNQFHIUMN-UHFFFAOYSA-N -1 3 357.389 3.284 20 0 FGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NCCOc1cccc(F)c1 ZINC000735906683 599327704 /nfs/dbraw/zinc/32/77/04/599327704.db2.gz TWUSEPNQFHIUMN-UHFFFAOYSA-N -1 3 357.389 3.284 20 0 FGADHM C[C@H]1CN(Cn2ccc(-c3ccc(-c4nnn[n-]4)cc3)n2)[C@@H]1c1ccccc1 ZINC000820769022 599329056 /nfs/dbraw/zinc/32/90/56/599329056.db2.gz QLWJSIJIORIQDR-YWZLYKJASA-N -1 3 371.448 3.381 20 0 FGADHM C[C@H]1CN(Cn2ccc(-c3ccc(-c4nn[n-]n4)cc3)n2)[C@@H]1c1ccccc1 ZINC000820769022 599329057 /nfs/dbraw/zinc/32/90/57/599329057.db2.gz QLWJSIJIORIQDR-YWZLYKJASA-N -1 3 371.448 3.381 20 0 FGADHM C[C@@H](SCC(=O)Nc1cccc(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736190467 599330522 /nfs/dbraw/zinc/33/05/22/599330522.db2.gz SHVMIYDHXVHSST-LLVKDONJSA-N -1 3 357.414 3.439 20 0 FGADHM C[C@@H](SCC(=O)Nc1cccc(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736190467 599330526 /nfs/dbraw/zinc/33/05/26/599330526.db2.gz SHVMIYDHXVHSST-LLVKDONJSA-N -1 3 357.414 3.439 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1CNc1cccc(OC(F)(F)F)c1 ZINC000821737116 607369512 /nfs/dbraw/zinc/36/95/12/607369512.db2.gz SARSNPQBWHHPKP-UHFFFAOYSA-N -1 3 365.315 3.386 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1CNc1cccc(OC(F)(F)F)c1 ZINC000821737116 607369515 /nfs/dbraw/zinc/36/95/15/607369515.db2.gz SARSNPQBWHHPKP-UHFFFAOYSA-N -1 3 365.315 3.386 20 0 FGADHM COc1ccc(-c2noc(CSc3ccccc3-c3nnn[n-]3)n2)cc1 ZINC000821765606 599345135 /nfs/dbraw/zinc/34/51/35/599345135.db2.gz HPLWGXDBAIMJEV-UHFFFAOYSA-N -1 3 366.406 3.218 20 0 FGADHM COc1ccc(-c2noc(CSc3ccccc3-c3nn[n-]n3)n2)cc1 ZINC000821765606 599345137 /nfs/dbraw/zinc/34/51/37/599345137.db2.gz HPLWGXDBAIMJEV-UHFFFAOYSA-N -1 3 366.406 3.218 20 0 FGADHM O=C(CSc1ccccc1-c1nnn[n-]1)Nc1ccc2c(c1)CCC2 ZINC000823070696 599347881 /nfs/dbraw/zinc/34/78/81/599347881.db2.gz JZPHVHOOJCUBIF-UHFFFAOYSA-N -1 3 351.435 3.086 20 0 FGADHM O=C(CSc1ccccc1-c1nn[n-]n1)Nc1ccc2c(c1)CCC2 ZINC000823070696 599347882 /nfs/dbraw/zinc/34/78/82/599347882.db2.gz JZPHVHOOJCUBIF-UHFFFAOYSA-N -1 3 351.435 3.086 20 0 FGADHM COCc1ccc(CNc2ccc(Br)cc2-c2nnn[n-]2)cc1 ZINC000737017288 599362124 /nfs/dbraw/zinc/36/21/24/599362124.db2.gz NGABEPLTEWUPMN-UHFFFAOYSA-N -1 3 374.242 3.388 20 0 FGADHM COCc1ccc(CNc2ccc(Br)cc2-c2nn[n-]n2)cc1 ZINC000737017288 599362128 /nfs/dbraw/zinc/36/21/28/599362128.db2.gz NGABEPLTEWUPMN-UHFFFAOYSA-N -1 3 374.242 3.388 20 0 FGADHM Fc1cc(-c2nnn[n-]2)ccc1CSc1ncccc1Br ZINC000737639965 599370744 /nfs/dbraw/zinc/37/07/44/599370744.db2.gz IOUOGSXXGKDDIV-UHFFFAOYSA-N -1 3 366.219 3.456 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1CSc1ncccc1Br ZINC000737639965 599370747 /nfs/dbraw/zinc/37/07/47/599370747.db2.gz IOUOGSXXGKDDIV-UHFFFAOYSA-N -1 3 366.219 3.456 20 0 FGADHM CCN(C(=O)c1ccc(Cl)cn1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736508476 599371735 /nfs/dbraw/zinc/37/17/35/599371735.db2.gz MRQHFKYDNBEETI-LLVKDONJSA-N -1 3 356.817 3.138 20 0 FGADHM CCN(C(=O)c1ccc(Cl)cn1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736508476 599371737 /nfs/dbraw/zinc/37/17/37/599371737.db2.gz MRQHFKYDNBEETI-LLVKDONJSA-N -1 3 356.817 3.138 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cc2occc2s1 ZINC000736634144 599372815 /nfs/dbraw/zinc/37/28/15/599372815.db2.gz ITRIMYQICUWSAR-UHFFFAOYSA-N -1 3 355.379 3.325 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc2occc2s1 ZINC000736634144 599372817 /nfs/dbraw/zinc/37/28/17/599372817.db2.gz ITRIMYQICUWSAR-UHFFFAOYSA-N -1 3 355.379 3.325 20 0 FGADHM Cc1cccc([C@H](C)OC(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)c1 ZINC000737387435 599376779 /nfs/dbraw/zinc/37/67/79/599376779.db2.gz ILYCATBWJVJEPA-KBPBESRZSA-N -1 3 352.394 3.247 20 0 FGADHM Cc1cccc([C@H](C)OC(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)c1 ZINC000737387435 599376781 /nfs/dbraw/zinc/37/67/81/599376781.db2.gz ILYCATBWJVJEPA-KBPBESRZSA-N -1 3 352.394 3.247 20 0 FGADHM C[C@@H](NC(=O)NCCc1ccc(Cl)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820366955 599398908 /nfs/dbraw/zinc/39/89/08/599398908.db2.gz QOQVLELXDHWVAD-GFCCVEGCSA-N -1 3 370.844 3.123 20 0 FGADHM C[C@@H](NC(=O)NCCc1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820366955 599398913 /nfs/dbraw/zinc/39/89/13/599398913.db2.gz QOQVLELXDHWVAD-GFCCVEGCSA-N -1 3 370.844 3.123 20 0 FGADHM Cc1nc(-c2ccc(CNCc3ccc(-c4nnn[n-]4)o3)cc2)cs1 ZINC000822418767 599418887 /nfs/dbraw/zinc/41/88/87/599418887.db2.gz FUMJFHAOHUFAQE-UHFFFAOYSA-N -1 3 352.423 3.181 20 0 FGADHM CC(C)[C@@H](C(=O)OCC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000824184311 607375728 /nfs/dbraw/zinc/37/57/28/607375728.db2.gz FVZHSKFAIHTWGQ-GOSISDBHSA-N -1 3 364.405 3.032 20 0 FGADHM CC(C)[C@@H](C(=O)OCC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000824184311 607375730 /nfs/dbraw/zinc/37/57/30/607375730.db2.gz FVZHSKFAIHTWGQ-GOSISDBHSA-N -1 3 364.405 3.032 20 0 FGADHM Clc1ccc(-c2nnn[n-]2)c(NCCc2ccn(-c3ccccc3)n2)c1 ZINC000737570150 599422861 /nfs/dbraw/zinc/42/28/61/599422861.db2.gz CJHPGOOBIQGDIQ-UHFFFAOYSA-N -1 3 365.828 3.360 20 0 FGADHM Clc1ccc(-c2nn[n-]n2)c(NCCc2ccn(-c3ccccc3)n2)c1 ZINC000737570150 599422862 /nfs/dbraw/zinc/42/28/62/599422862.db2.gz CJHPGOOBIQGDIQ-UHFFFAOYSA-N -1 3 365.828 3.360 20 0 FGADHM CC(C)Oc1cccc([C@@H](O)CNc2cc(Cl)ccc2-c2nnn[n-]2)c1 ZINC000735914293 599440372 /nfs/dbraw/zinc/44/03/72/599440372.db2.gz VCCDBCZTOKDQKV-KRWDZBQOSA-N -1 3 373.844 3.453 20 0 FGADHM CC(C)Oc1cccc([C@@H](O)CNc2cc(Cl)ccc2-c2nn[n-]n2)c1 ZINC000735914293 599440376 /nfs/dbraw/zinc/44/03/76/599440376.db2.gz VCCDBCZTOKDQKV-KRWDZBQOSA-N -1 3 373.844 3.453 20 0 FGADHM C[C@@H](c1ccc(F)cc1)N(C)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000820563079 599463842 /nfs/dbraw/zinc/46/38/42/599463842.db2.gz NJXRSVXGNVZIDE-NSHDSACASA-N -1 3 372.379 3.048 20 0 FGADHM C[C@@H](c1ccc(F)cc1)N(C)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000820563079 599463844 /nfs/dbraw/zinc/46/38/44/599463844.db2.gz NJXRSVXGNVZIDE-NSHDSACASA-N -1 3 372.379 3.048 20 0 FGADHM CCC(CC)(CNC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)SC ZINC000820887357 599469040 /nfs/dbraw/zinc/46/90/40/599469040.db2.gz AMEUAZOFOYVFBW-LBPRGKRZSA-N -1 3 362.503 3.149 20 0 FGADHM CCC(CC)(CNC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)SC ZINC000820887357 599469042 /nfs/dbraw/zinc/46/90/42/599469042.db2.gz AMEUAZOFOYVFBW-LBPRGKRZSA-N -1 3 362.503 3.149 20 0 FGADHM C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1sccc1-c1nnn[n-]1 ZINC000736238275 599470663 /nfs/dbraw/zinc/47/06/63/599470663.db2.gz YLHNZGOALMCGCC-ZYHUDNBSSA-N -1 3 357.414 3.086 20 0 FGADHM C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1sccc1-c1nn[n-]n1 ZINC000736238275 599470665 /nfs/dbraw/zinc/47/06/65/599470665.db2.gz YLHNZGOALMCGCC-ZYHUDNBSSA-N -1 3 357.414 3.086 20 0 FGADHM Cc1ccc(CCNc2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)o1 ZINC000822235921 599474628 /nfs/dbraw/zinc/47/46/28/599474628.db2.gz BXDYPZLHQSDGBC-UHFFFAOYSA-N -1 3 354.801 3.046 20 0 FGADHM Cc1ccc(CCNc2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)o1 ZINC000822235921 599474629 /nfs/dbraw/zinc/47/46/29/599474629.db2.gz BXDYPZLHQSDGBC-UHFFFAOYSA-N -1 3 354.801 3.046 20 0 FGADHM C[C@@H](NC(=O)N1CCc2ccccc2[C@@H]1C)c1cccc(-c2nnn[n-]2)c1 ZINC000820348985 599477970 /nfs/dbraw/zinc/47/79/70/599477970.db2.gz GYPZLGILMRWGKA-KGLIPLIRSA-N -1 3 362.437 3.257 20 0 FGADHM C[C@@H](NC(=O)N1CCc2ccccc2[C@@H]1C)c1cccc(-c2nn[n-]n2)c1 ZINC000820348985 599477972 /nfs/dbraw/zinc/47/79/72/599477972.db2.gz GYPZLGILMRWGKA-KGLIPLIRSA-N -1 3 362.437 3.257 20 0 FGADHM O=C(CN1CCCCC[C@H]1c1ccco1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000737872472 599478260 /nfs/dbraw/zinc/47/82/60/599478260.db2.gz JDKRMJKJWFZSCQ-INIZCTEOSA-N -1 3 366.425 3.016 20 0 FGADHM Fc1ccc(NCCNc2ncc(Cl)cc2Cl)c(-c2nnn[n-]2)c1 ZINC000822778999 599479221 /nfs/dbraw/zinc/47/92/21/599479221.db2.gz QWMWXYPAGSDUGD-UHFFFAOYSA-N -1 3 368.203 3.232 20 0 FGADHM Fc1ccc(NCCNc2ncc(Cl)cc2Cl)c(-c2nn[n-]n2)c1 ZINC000822778999 599479222 /nfs/dbraw/zinc/47/92/22/599479222.db2.gz QWMWXYPAGSDUGD-UHFFFAOYSA-N -1 3 368.203 3.232 20 0 FGADHM C[C@@H](NC(=O)c1ccccc1Br)c1cccc(-c2nnn[n-]2)c1 ZINC000820397744 599502627 /nfs/dbraw/zinc/50/26/27/599502627.db2.gz SDVZIHGIGSAUIO-SNVBAGLBSA-N -1 3 372.226 3.120 20 0 FGADHM C[C@@H](NC(=O)c1ccccc1Br)c1cccc(-c2nn[n-]n2)c1 ZINC000820397744 599502628 /nfs/dbraw/zinc/50/26/28/599502628.db2.gz SDVZIHGIGSAUIO-SNVBAGLBSA-N -1 3 372.226 3.120 20 0 FGADHM Cc1cccc(N[C@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000737399429 599504122 /nfs/dbraw/zinc/50/41/22/599504122.db2.gz JZZNYPGRVRRSAB-LLVKDONJSA-N -1 3 356.817 3.268 20 0 FGADHM Cc1cccc(N[C@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000737399429 599504124 /nfs/dbraw/zinc/50/41/24/599504124.db2.gz JZZNYPGRVRRSAB-LLVKDONJSA-N -1 3 356.817 3.268 20 0 FGADHM Cc1ccccc1N[C@@H](C)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737434368 599504649 /nfs/dbraw/zinc/50/46/49/599504649.db2.gz FENDYAPGGPFJAF-NSHDSACASA-N -1 3 356.817 3.268 20 0 FGADHM Cc1ccccc1N[C@@H](C)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737434368 599504652 /nfs/dbraw/zinc/50/46/52/599504652.db2.gz FENDYAPGGPFJAF-NSHDSACASA-N -1 3 356.817 3.268 20 0 FGADHM CC(C)c1nc([C@@H]2CCCN(c3c(Cl)cccc3-c3nnn[n-]3)C2)no1 ZINC000820203599 599508413 /nfs/dbraw/zinc/50/84/13/599508413.db2.gz VVKFOLDDMJKMCD-LLVKDONJSA-N -1 3 373.848 3.411 20 0 FGADHM CC(C)c1nc([C@@H]2CCCN(c3c(Cl)cccc3-c3nn[n-]n3)C2)no1 ZINC000820203599 599508414 /nfs/dbraw/zinc/50/84/14/599508414.db2.gz VVKFOLDDMJKMCD-LLVKDONJSA-N -1 3 373.848 3.411 20 0 FGADHM COc1ccc(CC2CCN(c3ccc(F)cc3-c3nnn[n-]3)CC2)cc1 ZINC000821791038 599510872 /nfs/dbraw/zinc/51/08/72/599510872.db2.gz ZPDROEDLTNJMHE-UHFFFAOYSA-N -1 3 367.428 3.474 20 0 FGADHM COc1ccc(CC2CCN(c3ccc(F)cc3-c3nn[n-]n3)CC2)cc1 ZINC000821791038 599510875 /nfs/dbraw/zinc/51/08/75/599510875.db2.gz ZPDROEDLTNJMHE-UHFFFAOYSA-N -1 3 367.428 3.474 20 0 FGADHM C[C@H](NC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000820320946 599513062 /nfs/dbraw/zinc/51/30/62/599513062.db2.gz AFKBVBWIACHQMY-LEWSCRJBSA-N -1 3 369.375 3.126 20 0 FGADHM C[C@H](NC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000820320946 599513066 /nfs/dbraw/zinc/51/30/66/599513066.db2.gz AFKBVBWIACHQMY-LEWSCRJBSA-N -1 3 369.375 3.126 20 0 FGADHM Cc1ccc2nc(CNc3ccc(-c4nn[n-]n4)cc3C(F)(F)F)cn2c1 ZINC000737374669 599521198 /nfs/dbraw/zinc/52/11/98/599521198.db2.gz RJETTXDOUJYXDL-UHFFFAOYSA-N -1 3 373.342 3.454 20 0 FGADHM C[C@H](NC(=O)CCc1c[nH]c2ccccc12)c1cccc(-c2nnn[n-]2)c1 ZINC000820329492 599523963 /nfs/dbraw/zinc/52/39/63/599523963.db2.gz WOSXHQBTLSUXLQ-ZDUSSCGKSA-N -1 3 360.421 3.158 20 0 FGADHM C[C@H](NC(=O)CCc1c[nH]c2ccccc12)c1cccc(-c2nn[n-]n2)c1 ZINC000820329492 599523964 /nfs/dbraw/zinc/52/39/64/599523964.db2.gz WOSXHQBTLSUXLQ-ZDUSSCGKSA-N -1 3 360.421 3.158 20 0 FGADHM Cc1[nH]c2ccccc2c1CC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822010259 599524749 /nfs/dbraw/zinc/52/47/49/599524749.db2.gz VLCSTOWTFYINFQ-GFCCVEGCSA-N -1 3 360.421 3.076 20 0 FGADHM Cc1[nH]c2ccccc2c1CC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822010259 599524751 /nfs/dbraw/zinc/52/47/51/599524751.db2.gz VLCSTOWTFYINFQ-GFCCVEGCSA-N -1 3 360.421 3.076 20 0 FGADHM CC(=CC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1)c1cccc(F)c1 ZINC000819765874 599525490 /nfs/dbraw/zinc/52/54/90/599525490.db2.gz TURLWBKHFHWNSV-CNELAYHGSA-N -1 3 351.385 3.287 20 0 FGADHM CC(=CC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1)c1cccc(F)c1 ZINC000819765874 599525492 /nfs/dbraw/zinc/52/54/92/599525492.db2.gz TURLWBKHFHWNSV-CNELAYHGSA-N -1 3 351.385 3.287 20 0 FGADHM CCc1nccn1[C@H]1CCCN(c2cc(-c3nnn[n-]3)nc3ccccc32)C1 ZINC000821516947 599538076 /nfs/dbraw/zinc/53/80/76/599538076.db2.gz FKAJBZVWJLYVTR-AWEZNQCLSA-N -1 3 374.452 3.015 20 0 FGADHM CCc1nccn1[C@H]1CCCN(c2cc(-c3nn[n-]n3)nc3ccccc32)C1 ZINC000821516947 599538079 /nfs/dbraw/zinc/53/80/79/599538079.db2.gz FKAJBZVWJLYVTR-AWEZNQCLSA-N -1 3 374.452 3.015 20 0 FGADHM CC(C)COc1ccc(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000820102973 599540804 /nfs/dbraw/zinc/54/08/04/599540804.db2.gz NBFHHLCZFWTJCT-AWEZNQCLSA-N -1 3 365.437 3.393 20 0 FGADHM CC(C)COc1ccc(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000820102973 599540806 /nfs/dbraw/zinc/54/08/06/599540806.db2.gz NBFHHLCZFWTJCT-AWEZNQCLSA-N -1 3 365.437 3.393 20 0 FGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H](C)c1cccs1 ZINC000735511295 599541340 /nfs/dbraw/zinc/54/13/40/599541340.db2.gz FVZVGQBFWUOCAL-ZDUSSCGKSA-N -1 3 355.467 3.469 20 0 FGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@H](C)c1cccs1 ZINC000735511295 599541341 /nfs/dbraw/zinc/54/13/41/599541341.db2.gz FVZVGQBFWUOCAL-ZDUSSCGKSA-N -1 3 355.467 3.469 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H](C)c1ccsc1 ZINC000736480571 599542299 /nfs/dbraw/zinc/54/22/99/599542299.db2.gz RRQDBSTZDLTDCN-CYBMUJFWSA-N -1 3 355.467 3.471 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H](C)c1ccsc1 ZINC000736480571 599542300 /nfs/dbraw/zinc/54/23/00/599542300.db2.gz RRQDBSTZDLTDCN-CYBMUJFWSA-N -1 3 355.467 3.471 20 0 FGADHM CCCO[C@@H]1CCCN(c2c(-c3nnn[n-]3)cnc3ccccc32)CC1 ZINC000821127251 599546884 /nfs/dbraw/zinc/54/68/84/599546884.db2.gz DQFYSQMFHBSNCP-CQSZACIVSA-N -1 3 352.442 3.200 20 0 FGADHM CCCO[C@@H]1CCCN(c2c(-c3nn[n-]n3)cnc3ccccc32)CC1 ZINC000821127251 599546886 /nfs/dbraw/zinc/54/68/86/599546886.db2.gz DQFYSQMFHBSNCP-CQSZACIVSA-N -1 3 352.442 3.200 20 0 FGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@@H]2CCC[C@@H]21 ZINC000819975984 599552584 /nfs/dbraw/zinc/55/25/84/599552584.db2.gz GXWGWIVKRLYXNM-JSGCOSHPSA-N -1 3 357.462 3.220 20 0 FGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@@H]2CCC[C@@H]21 ZINC000819975984 599552586 /nfs/dbraw/zinc/55/25/86/599552586.db2.gz GXWGWIVKRLYXNM-JSGCOSHPSA-N -1 3 357.462 3.220 20 0 FGADHM c1ccc(CN(Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)C2CC2)cc1 ZINC000823781025 599560723 /nfs/dbraw/zinc/56/07/23/599560723.db2.gz YRYNAGFLUZVUNB-UHFFFAOYSA-N -1 3 373.420 3.081 20 0 FGADHM c1ccc(CN(Cc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)C2CC2)cc1 ZINC000823781025 599560724 /nfs/dbraw/zinc/56/07/24/599560724.db2.gz YRYNAGFLUZVUNB-UHFFFAOYSA-N -1 3 373.420 3.081 20 0 FGADHM O=C(NCCc1ccco1)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738089003 599563824 /nfs/dbraw/zinc/56/38/24/599563824.db2.gz SIPPOZHACKELHX-UHFFFAOYSA-N -1 3 374.404 3.176 20 0 FGADHM CN(Cc1ccoc1)C(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736829373 599565624 /nfs/dbraw/zinc/56/56/24/599565624.db2.gz AXNPJKBDORBZPX-UHFFFAOYSA-N -1 3 374.404 3.476 20 0 FGADHM Cc1cccc2c(CCNc3c(-c4nnn[n-]4)cnc4ccccc43)c[nH]c21 ZINC000822333085 599579638 /nfs/dbraw/zinc/57/96/38/599579638.db2.gz VXSYTWQYBHVHQF-UHFFFAOYSA-N -1 3 369.432 3.281 20 0 FGADHM Cc1cccc2c(CCNc3c(-c4nn[n-]n4)cnc4ccccc43)c[nH]c21 ZINC000822333085 599579640 /nfs/dbraw/zinc/57/96/40/599579640.db2.gz VXSYTWQYBHVHQF-UHFFFAOYSA-N -1 3 369.432 3.281 20 0 FGADHM O=C1[C@H](Nc2ccc(-c3nn[n-]n3)cc2)CCCN1c1ccccc1Cl ZINC000823511922 599585873 /nfs/dbraw/zinc/58/58/73/599585873.db2.gz IZPJSXVEBSAPMA-OAHLLOKOSA-N -1 3 368.828 3.128 20 0 FGADHM C[C@@H]1c2ccc(F)cc2CCN1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736301073 599599455 /nfs/dbraw/zinc/59/94/55/599599455.db2.gz KLTKXAYPCAWGIU-LLVKDONJSA-N -1 3 352.373 3.157 20 0 FGADHM C[C@@H]1c2ccc(F)cc2CCN1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736301073 599599457 /nfs/dbraw/zinc/59/94/57/599599457.db2.gz KLTKXAYPCAWGIU-LLVKDONJSA-N -1 3 352.373 3.157 20 0 FGADHM C[C@H](NC(=O)N1CCC2(CCCC2)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736115491 599600245 /nfs/dbraw/zinc/60/02/45/599600245.db2.gz YKIQQKQAVFJYGG-AWEZNQCLSA-N -1 3 354.458 3.294 20 0 FGADHM C[C@H](NC(=O)N1CCC2(CCCC2)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736115491 599600246 /nfs/dbraw/zinc/60/02/46/599600246.db2.gz YKIQQKQAVFJYGG-AWEZNQCLSA-N -1 3 354.458 3.294 20 0 FGADHM C[C@H](Cc1ccccc1F)C(=O)OCc1cc(-c2nnn[n-]2)ccc1F ZINC000736059944 599607393 /nfs/dbraw/zinc/60/73/93/599607393.db2.gz YCQJYMAWELNOQM-LLVKDONJSA-N -1 3 358.348 3.067 20 0 FGADHM C[C@H](Cc1ccccc1F)C(=O)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000736059944 599607395 /nfs/dbraw/zinc/60/73/95/599607395.db2.gz YCQJYMAWELNOQM-LLVKDONJSA-N -1 3 358.348 3.067 20 0 FGADHM CC[C@H](c1ccc(F)cc1)S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736389116 599608528 /nfs/dbraw/zinc/60/85/28/599608528.db2.gz BHQKWUXUXANKMQ-MRXNPFEDSA-N -1 3 360.414 3.072 20 0 FGADHM CC[C@H](c1ccc(F)cc1)S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736389116 599608530 /nfs/dbraw/zinc/60/85/30/599608530.db2.gz BHQKWUXUXANKMQ-MRXNPFEDSA-N -1 3 360.414 3.072 20 0 FGADHM O=C(OCc1ccccc1-c1nnn[n-]1)[C@H]1CCSc2ccccc21 ZINC000823429824 599622049 /nfs/dbraw/zinc/62/20/49/599622049.db2.gz DESXLKYWZHSHDX-HNNXBMFYSA-N -1 3 352.419 3.190 20 0 FGADHM O=C(OCc1ccccc1-c1nn[n-]n1)[C@H]1CCSc2ccccc21 ZINC000823429824 599622050 /nfs/dbraw/zinc/62/20/50/599622050.db2.gz DESXLKYWZHSHDX-HNNXBMFYSA-N -1 3 352.419 3.190 20 0 FGADHM Cc1c(Br)cccc1C(=O)OCc1cccc(-c2nnn[n-]2)c1 ZINC000822016023 599624081 /nfs/dbraw/zinc/62/40/81/599624081.db2.gz SYXFVXGUUZHQIB-UHFFFAOYSA-N -1 3 373.210 3.295 20 0 FGADHM Cc1c(Br)cccc1C(=O)OCc1cccc(-c2nn[n-]n2)c1 ZINC000822016023 599624082 /nfs/dbraw/zinc/62/40/82/599624082.db2.gz SYXFVXGUUZHQIB-UHFFFAOYSA-N -1 3 373.210 3.295 20 0 FGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1)[C@H]1CCSc2ccccc21 ZINC000823431554 599624409 /nfs/dbraw/zinc/62/44/09/599624409.db2.gz RKXKFMTVMAAYCJ-HNNXBMFYSA-N -1 3 352.419 3.190 20 0 FGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1)[C@H]1CCSc2ccccc21 ZINC000823431554 599624410 /nfs/dbraw/zinc/62/44/10/599624410.db2.gz RKXKFMTVMAAYCJ-HNNXBMFYSA-N -1 3 352.419 3.190 20 0 FGADHM CC(=CC(=O)Nc1ccc(-c2nnn[n-]2)cn1)c1cccc(C(F)(F)F)c1 ZINC000819765993 599631110 /nfs/dbraw/zinc/63/11/10/599631110.db2.gz UBZPHUJRGGKDGX-YFHOEESVSA-N -1 3 374.326 3.323 20 0 FGADHM CC(=CC(=O)Nc1ccc(-c2nn[n-]n2)cn1)c1cccc(C(F)(F)F)c1 ZINC000819765993 599631111 /nfs/dbraw/zinc/63/11/11/599631111.db2.gz UBZPHUJRGGKDGX-YFHOEESVSA-N -1 3 374.326 3.323 20 0 FGADHM C[C@@H]1CC[C@@H](CCC(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)O1 ZINC000820689646 599632892 /nfs/dbraw/zinc/63/28/92/599632892.db2.gz ACTGIFDSNJAEFP-KOLCDFICSA-N -1 3 369.347 3.172 20 0 FGADHM C[C@@H]1CC[C@@H](CCC(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)O1 ZINC000820689646 599632893 /nfs/dbraw/zinc/63/28/93/599632893.db2.gz ACTGIFDSNJAEFP-KOLCDFICSA-N -1 3 369.347 3.172 20 0 FGADHM Cc1ccc(CC(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)s1 ZINC000822234609 599632949 /nfs/dbraw/zinc/63/29/49/599632949.db2.gz BCTLOUBSMWFLAR-UHFFFAOYSA-N -1 3 367.356 3.437 20 0 FGADHM Cc1ccc(CC(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)s1 ZINC000822234609 599632950 /nfs/dbraw/zinc/63/29/50/599632950.db2.gz BCTLOUBSMWFLAR-UHFFFAOYSA-N -1 3 367.356 3.437 20 0 FGADHM CCN(C(=O)c1ccncc1Cl)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821159311 599648604 /nfs/dbraw/zinc/64/86/04/599648604.db2.gz ARAAWXHZUDCPDI-LLVKDONJSA-N -1 3 356.817 3.138 20 0 FGADHM CCN(C(=O)c1ccncc1Cl)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821159311 599648605 /nfs/dbraw/zinc/64/86/05/599648605.db2.gz ARAAWXHZUDCPDI-LLVKDONJSA-N -1 3 356.817 3.138 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cccc2cnccc21 ZINC000821412062 599648780 /nfs/dbraw/zinc/64/87/80/599648780.db2.gz HJYSVRUARCLFMI-UHFFFAOYSA-N -1 3 360.377 3.066 20 0 FGADHM CC(C)C[C@H]1CCN(C(=O)[C@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)C1 ZINC000820067167 599652569 /nfs/dbraw/zinc/65/25/69/599652569.db2.gz FIECVPRFZMWLIC-CRAIPNDOSA-N -1 3 371.485 3.165 20 0 FGADHM CC(C)C[C@H]1CCN(C(=O)[C@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)C1 ZINC000820067167 599652570 /nfs/dbraw/zinc/65/25/70/599652570.db2.gz FIECVPRFZMWLIC-CRAIPNDOSA-N -1 3 371.485 3.165 20 0 FGADHM CC(C)[C@H]1CCCC[C@@H]1NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000820038099 599673737 /nfs/dbraw/zinc/67/37/37/599673737.db2.gz KPIPUCAUOKATBG-ZBFHGGJFSA-N -1 3 360.437 3.020 20 0 FGADHM CC(C)[C@H]1CCCC[C@@H]1NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000820038099 599673738 /nfs/dbraw/zinc/67/37/38/599673738.db2.gz KPIPUCAUOKATBG-ZBFHGGJFSA-N -1 3 360.437 3.020 20 0 FGADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)N1CCCC2(CCCCC2)C1 ZINC000823235388 599679748 /nfs/dbraw/zinc/67/97/48/599679748.db2.gz SSVSINAXTWATMN-UHFFFAOYSA-N -1 3 372.448 3.262 20 0 FGADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)N1CCCC2(CCCCC2)C1 ZINC000823235388 599679749 /nfs/dbraw/zinc/67/97/49/599679749.db2.gz SSVSINAXTWATMN-UHFFFAOYSA-N -1 3 372.448 3.262 20 0 FGADHM O=C(Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1)C1CCC(=O)CC1 ZINC000823525368 599696214 /nfs/dbraw/zinc/69/62/14/599696214.db2.gz MEVGQOSPGJWFHC-UHFFFAOYSA-N -1 3 362.389 3.198 20 0 FGADHM O=C(Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1)C1CCC(=O)CC1 ZINC000823525368 599696215 /nfs/dbraw/zinc/69/62/15/599696215.db2.gz MEVGQOSPGJWFHC-UHFFFAOYSA-N -1 3 362.389 3.198 20 0 FGADHM COc1ccc(CN(C)Cc2cc(-c3nn[n-]n3)ccc2F)cc1Cl ZINC000821795248 607387488 /nfs/dbraw/zinc/38/74/88/607387488.db2.gz WVRJGVXNDWCENW-UHFFFAOYSA-N -1 3 361.808 3.300 20 0 FGADHM CCCC[C@@H](C(=O)[O-])N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000736979920 599706676 /nfs/dbraw/zinc/70/66/76/599706676.db2.gz RAXUPEMDNVYGBF-AWEZNQCLSA-N -1 3 373.280 3.395 20 0 FGADHM CCc1c(C)sc(NC(=O)C=Cc2cncc(C)c2)c1-c1nnn[n-]1 ZINC000821465825 607393701 /nfs/dbraw/zinc/39/37/01/607393701.db2.gz QVJDKBJJTFYJIZ-AATRIKPKSA-N -1 3 354.439 3.154 20 0 FGADHM CCc1c(C)sc(NC(=O)C=Cc2cncc(C)c2)c1-c1nn[n-]n1 ZINC000821465825 607393703 /nfs/dbraw/zinc/39/37/03/607393703.db2.gz QVJDKBJJTFYJIZ-AATRIKPKSA-N -1 3 354.439 3.154 20 0 FGADHM Cc1cc2cc(NC(=O)NC3(c4cccc(-c5nnn[n-]5)c4)CC3)ccc2[nH]1 ZINC000826273005 607394649 /nfs/dbraw/zinc/39/46/49/607394649.db2.gz LHPHODKEYRGILL-UHFFFAOYSA-N -1 3 373.420 3.467 20 0 FGADHM Cc1cc2cc(NC(=O)NC3(c4cccc(-c5nn[n-]n5)c4)CC3)ccc2[nH]1 ZINC000826273005 607394651 /nfs/dbraw/zinc/39/46/51/607394651.db2.gz LHPHODKEYRGILL-UHFFFAOYSA-N -1 3 373.420 3.467 20 0 FGADHM CC(C)Oc1ccc(NC(=O)c2nccc3ccccc32)cc1-c1nnn[n-]1 ZINC000820174624 607400770 /nfs/dbraw/zinc/40/07/70/607400770.db2.gz UIYXCBQKRLCTHM-UHFFFAOYSA-N -1 3 374.404 3.454 20 0 FGADHM CC(C)Oc1ccc(NC(=O)c2nccc3ccccc32)cc1-c1nn[n-]n1 ZINC000820174624 607400772 /nfs/dbraw/zinc/40/07/72/607400772.db2.gz UIYXCBQKRLCTHM-UHFFFAOYSA-N -1 3 374.404 3.454 20 0 FGADHM CCCCCCOCC(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000821055727 607401046 /nfs/dbraw/zinc/40/10/46/607401046.db2.gz FHSCHYWWIDYWHM-UHFFFAOYSA-N -1 3 361.446 3.189 20 0 FGADHM CCCCCCOCC(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000821055727 607401048 /nfs/dbraw/zinc/40/10/48/607401048.db2.gz FHSCHYWWIDYWHM-UHFFFAOYSA-N -1 3 361.446 3.189 20 0 FGADHM O=C([O-])Nc1cccc(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)c1 ZINC000740028931 599901748 /nfs/dbraw/zinc/90/17/48/599901748.db2.gz LDVFPKMBHDXTPW-SFHVURJKSA-N -1 3 353.422 3.343 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)c1ccc(OC(F)F)cc1 ZINC000826254658 607405930 /nfs/dbraw/zinc/40/59/30/607405930.db2.gz VSLVSUIZZMQMLA-UHFFFAOYSA-N -1 3 360.320 3.134 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)c1ccc(OC(F)F)cc1 ZINC000826254658 607405931 /nfs/dbraw/zinc/40/59/31/607405931.db2.gz VSLVSUIZZMQMLA-UHFFFAOYSA-N -1 3 360.320 3.134 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)/C=C\SCc1ccco1 ZINC000826253035 607410913 /nfs/dbraw/zinc/41/09/13/607410913.db2.gz CXDHDNHHFZEQOO-VURMDHGXSA-N -1 3 356.407 3.258 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)/C=C\SCc1ccco1 ZINC000826253035 607410914 /nfs/dbraw/zinc/41/09/14/607410914.db2.gz CXDHDNHHFZEQOO-VURMDHGXSA-N -1 3 356.407 3.258 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)C(C)(C)c1ccccc1C ZINC000821737636 607414939 /nfs/dbraw/zinc/41/49/39/607414939.db2.gz ZBGMUWZRSUDCJZ-UHFFFAOYSA-N -1 3 366.421 3.205 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)C(C)(C)c1ccccc1C ZINC000821737636 607414941 /nfs/dbraw/zinc/41/49/41/607414941.db2.gz ZBGMUWZRSUDCJZ-UHFFFAOYSA-N -1 3 366.421 3.205 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)c1cnc(Cl)c(Cl)c1 ZINC000826254343 607410191 /nfs/dbraw/zinc/41/01/91/607410191.db2.gz HAGOUHABETWLTJ-UHFFFAOYSA-N -1 3 364.192 3.234 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)c1cnc(Cl)c(Cl)c1 ZINC000826254343 607410192 /nfs/dbraw/zinc/41/01/92/607410192.db2.gz HAGOUHABETWLTJ-UHFFFAOYSA-N -1 3 364.192 3.234 20 0 FGADHM CC(C)Cc1ccc([C@@H](NCC(=O)N2CCC(C(=O)[O-])CC2)C(C)C)cc1 ZINC000736454220 600085788 /nfs/dbraw/zinc/08/57/88/600085788.db2.gz SDAYOLSIIDCVKO-NRFANRHFSA-N -1 3 374.525 3.495 20 0 FGADHM CC(C)(C)OC(=O)NC[C@H]1CCCN(Cc2ccc(F)cc2C(=O)[O-])C1 ZINC000736283371 600089993 /nfs/dbraw/zinc/08/99/93/600089993.db2.gz JVGPVCMFJAQOTI-CYBMUJFWSA-N -1 3 366.433 3.261 20 0 FGADHM C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)Nc2ccc(F)c(C(=O)[O-])c2)C1 ZINC000736726215 600384296 /nfs/dbraw/zinc/38/42/96/600384296.db2.gz ZUOHNZDITAJTKS-XJKSGUPXSA-N -1 3 371.412 3.481 20 0 FGADHM CN(C(=O)c1ccc(OC2CCCC2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825830571 607440568 /nfs/dbraw/zinc/44/05/68/607440568.db2.gz WUUGQKRLEALLCA-UHFFFAOYSA-N -1 3 363.421 3.465 20 0 FGADHM CN(C(=O)c1ccc(OC2CCCC2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825830571 607440570 /nfs/dbraw/zinc/44/05/70/607440570.db2.gz WUUGQKRLEALLCA-UHFFFAOYSA-N -1 3 363.421 3.465 20 0 FGADHM O=C([O-])[C@@H](c1cccc(Cl)c1)N1CCC(CC(=O)N2CCCC2)CC1 ZINC000739516036 600398209 /nfs/dbraw/zinc/39/82/09/600398209.db2.gz KBSMZTJUSZUZOH-GOSISDBHSA-N -1 3 364.873 3.190 20 0 FGADHM Cc1ccc(C(C)C)cc1OCC(=O)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826282727 607441078 /nfs/dbraw/zinc/44/10/78/607441078.db2.gz BGKUMETUJOPQBY-UHFFFAOYSA-N -1 3 365.437 3.340 20 0 FGADHM Cc1ccc(C(C)C)cc1OCC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826282727 607441080 /nfs/dbraw/zinc/44/10/80/607441080.db2.gz BGKUMETUJOPQBY-UHFFFAOYSA-N -1 3 365.437 3.340 20 0 FGADHM O=C([O-])[C@H](c1ccccc1)N1CCN(Cc2cccc3cccnc32)CC1 ZINC000738524374 600399430 /nfs/dbraw/zinc/39/94/30/600399430.db2.gz WUXHNKSSHHNODX-NRFANRHFSA-N -1 3 361.445 3.178 20 0 FGADHM CCC(=CC(=O)N(C)c1ccc(-c2nnn[n-]2)cc1)c1ccc(OC)cc1 ZINC000825029507 607441521 /nfs/dbraw/zinc/44/15/21/607441521.db2.gz UXSKDWNQQIYPNE-BUHFOSPRSA-N -1 3 363.421 3.332 20 0 FGADHM CCC(=CC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1)c1ccc(OC)cc1 ZINC000825029507 607441522 /nfs/dbraw/zinc/44/15/22/607441522.db2.gz UXSKDWNQQIYPNE-BUHFOSPRSA-N -1 3 363.421 3.332 20 0 FGADHM CC1CCN(c2ccc(CN[C@H](C(=O)[O-])c3ccc(F)cc3)cn2)CC1 ZINC000736800197 600423951 /nfs/dbraw/zinc/42/39/51/600423951.db2.gz XWMRRGNSPMKMBA-IBGZPJMESA-N -1 3 357.429 3.373 20 0 FGADHM CCOC(=O)c1c(C)c2ccccc2nc1CNC1(C(=O)[O-])CCCC1 ZINC000737149882 600557837 /nfs/dbraw/zinc/55/78/37/600557837.db2.gz YEWDLPJSYSPZFG-UHFFFAOYSA-N -1 3 356.422 3.207 20 0 FGADHM CCN1CCCC[C@@H]1C(=O)NC[C@@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC000737117220 600600742 /nfs/dbraw/zinc/60/07/42/600600742.db2.gz YYFDSTSYROJLTR-UYAOXDASSA-N -1 3 368.477 3.074 20 0 FGADHM CCN1CCCC[C@@H]1C(=O)NC[C@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000737117135 600606098 /nfs/dbraw/zinc/60/60/98/600606098.db2.gz WZZCUVIOWPILBP-VQTJNVASSA-N -1 3 368.477 3.074 20 0 FGADHM Cc1ccc(C(=O)[O-])cc1NC(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000738531829 600641936 /nfs/dbraw/zinc/64/19/36/600641936.db2.gz CUKSQCWJPZVQRB-UHFFFAOYSA-N -1 3 359.470 3.421 20 0 FGADHM CCOc1ccc(-c2nc(COc3ccc(-c4nn[n-]n4)cc3)co2)cc1 ZINC000821401621 607461554 /nfs/dbraw/zinc/46/15/54/607461554.db2.gz YERJDPMQAJDMKB-UHFFFAOYSA-N -1 3 363.377 3.499 20 0 FGADHM O=C([O-])[C@H](N[C@H]1CCN(CC(F)(F)F)C1)c1ccc(Cl)cc1Cl ZINC000833167238 600745776 /nfs/dbraw/zinc/74/57/76/600745776.db2.gz LCJYCCJJKSEQJU-JOYOIKCWSA-N -1 3 371.186 3.345 20 0 FGADHM CCOC(=O)N(C)c1ccc(NCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000821334842 607475179 /nfs/dbraw/zinc/47/51/79/607475179.db2.gz RKJOJJLUDGPZCJ-UHFFFAOYSA-N -1 3 370.388 3.211 20 0 FGADHM CCOC(=O)N(C)c1ccc(NCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000821334842 607475181 /nfs/dbraw/zinc/47/51/81/607475181.db2.gz RKJOJJLUDGPZCJ-UHFFFAOYSA-N -1 3 370.388 3.211 20 0 FGADHM COc1ccc(CN(Cc2ccco2)Cc2ccco2)cc1-c1nnn[n-]1 ZINC000826194070 607477510 /nfs/dbraw/zinc/47/75/10/607477510.db2.gz ZOAWXOGLNIKKMH-UHFFFAOYSA-N -1 3 365.393 3.264 20 0 FGADHM COc1ccc(CN(Cc2ccco2)Cc2ccco2)cc1-c1nn[n-]n1 ZINC000826194070 607477512 /nfs/dbraw/zinc/47/75/12/607477512.db2.gz ZOAWXOGLNIKKMH-UHFFFAOYSA-N -1 3 365.393 3.264 20 0 FGADHM C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000382596912 600966617 /nfs/dbraw/zinc/96/66/17/600966617.db2.gz NHXOKJVJFDDLOL-QRQLOZEOSA-N -1 3 358.482 3.000 20 0 FGADHM Cc1ccccc1C(=O)NC1CCN([C@@H](C(=O)[O-])c2ccccc2F)CC1 ZINC000832976686 600988294 /nfs/dbraw/zinc/98/82/94/600988294.db2.gz YJTKFNOFYNOZBH-LJQANCHMSA-N -1 3 370.424 3.154 20 0 FGADHM O=C([O-])[C@@H](c1ccccc1F)N1CCC(NC(=O)C2CCCCC2)CC1 ZINC000833129812 600992087 /nfs/dbraw/zinc/99/20/87/600992087.db2.gz PSTCZIPMPACBLH-GOSISDBHSA-N -1 3 362.445 3.112 20 0 FGADHM Cc1cc(C(=O)NC2CCN([C@@H](C(=O)[O-])c3ccccc3F)CC2)c(C)o1 ZINC000832863330 600997159 /nfs/dbraw/zinc/99/71/59/600997159.db2.gz NRKCPBVGSOSOPK-GOSISDBHSA-N -1 3 374.412 3.056 20 0 FGADHM CC(C)c1ncc(C(=O)O[C@H](C)COc2cccc(-c3nnn[n-]3)c2)s1 ZINC000820293774 607495746 /nfs/dbraw/zinc/49/57/46/607495746.db2.gz NJKOCDCCSZPBMY-LLVKDONJSA-N -1 3 373.438 3.071 20 0 FGADHM CC(C)c1ncc(C(=O)O[C@H](C)COc2cccc(-c3nn[n-]n3)c2)s1 ZINC000820293774 607495748 /nfs/dbraw/zinc/49/57/48/607495748.db2.gz NJKOCDCCSZPBMY-LLVKDONJSA-N -1 3 373.438 3.071 20 0 FGADHM CC1(C)CCC[C@H]1N(CC(=O)N1CCC(C(=O)[O-])CC1)Cc1ccccc1 ZINC000828060595 601426063 /nfs/dbraw/zinc/42/60/63/601426063.db2.gz WTZJAPNUBKNJAQ-LJQANCHMSA-N -1 3 372.509 3.391 20 0 FGADHM Cc1ccc(CN[C@@H](C(=O)[O-])c2cccc(Cl)c2)c(N2CCOCC2)c1 ZINC000832933465 601560625 /nfs/dbraw/zinc/56/06/25/601560625.db2.gz DAKULVHXDDRQOG-LJQANCHMSA-N -1 3 374.868 3.401 20 0 FGADHM C[C@@H](C(=O)[O-])[C@@H](NCC(=O)NC12CC3CC(CC(C3)C1)C2)c1ccccc1 ZINC000826043963 601654279 /nfs/dbraw/zinc/65/42/79/601654279.db2.gz ADBWUJSNDUEUJE-HVTKYGPXSA-N -1 3 370.493 3.123 20 0 FGADHM CCN(Cc1cccc(F)c1)C(=O)CN[C@@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000829722566 601657873 /nfs/dbraw/zinc/65/78/73/601657873.db2.gz NOOJHRRUBYQOMH-FOIQADDNSA-N -1 3 372.440 3.226 20 0 FGADHM O=C(C=C1CCCCC1)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000833093227 601728142 /nfs/dbraw/zinc/72/81/42/601728142.db2.gz WRNNWIOGZPDHKS-NRFANRHFSA-N -1 3 356.466 3.113 20 0 FGADHM Cc1cccc(C(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)c1C ZINC000832963471 601740823 /nfs/dbraw/zinc/74/08/23/601740823.db2.gz TUWOOFPOWUBGFV-JOCHJYFZSA-N -1 3 366.461 3.153 20 0 FGADHM C[C@H](NC(=O)[C@H](C)N1CCC(CCC(=O)[O-])CC1)c1ccc(Cl)cc1 ZINC000662218102 601839807 /nfs/dbraw/zinc/83/98/07/601839807.db2.gz LUAPPIFUHSEDOX-KBPBESRZSA-N -1 3 366.889 3.483 20 0 FGADHM O=C([O-])CCC1CCN(Cc2cc(=O)oc3cc4c(cc23)CCC4)CC1 ZINC000833225934 601845947 /nfs/dbraw/zinc/84/59/47/601845947.db2.gz VNWLLSGSLYKWDX-UHFFFAOYSA-N -1 3 355.434 3.359 20 0 FGADHM COc1ccc(OCc2nc(CN[C@@H](C(=O)[O-])C(C)(C)C)cs2)cc1 ZINC000756350707 601872748 /nfs/dbraw/zinc/87/27/48/601872748.db2.gz QEJIHKBBMPOODC-INIZCTEOSA-N -1 3 364.467 3.320 20 0 FGADHM CN(C[C@@H](O)c1cccc(F)c1)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830713079 601900779 /nfs/dbraw/zinc/90/07/79/601900779.db2.gz ALQDYQHKTNXBHG-GDBMZVCRSA-N -1 3 357.303 3.034 20 0 FGADHM C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CN(C[C@H](C)C(=O)[O-])C1CC1 ZINC000827450344 601918066 /nfs/dbraw/zinc/91/80/66/601918066.db2.gz VVUBZCJJAYQZIL-QWHCGFSZSA-N -1 3 352.862 3.045 20 0 FGADHM Cc1ccc(NC(=O)[C@H]2CCCN(Cc3ccc(C(=O)[O-])s3)C2)nc1 ZINC000832940690 601958617 /nfs/dbraw/zinc/95/86/17/601958617.db2.gz CFAFUOHMPPUVGZ-ZDUSSCGKSA-N -1 3 359.451 3.000 20 0 FGADHM CN(C(=O)[O-])[C@@H]1CCCN(Cc2ccc(OCc3cccnc3)cc2)C1 ZINC000739582335 601965358 /nfs/dbraw/zinc/96/53/58/601965358.db2.gz BVWCBUJSNRFWLJ-GOSISDBHSA-N -1 3 355.438 3.235 20 0 FGADHM C[C@@H]1C[C@@H](NC(=O)CCc2ccc(C(=O)[O-])cc2)CN1Cc1ccccc1 ZINC000828167213 602023452 /nfs/dbraw/zinc/02/34/52/602023452.db2.gz DLAUIMBVTSWDIO-OXQOHEQNSA-N -1 3 366.461 3.097 20 0 FGADHM CCC(C)(C)[C@@H]1CCCN1C(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000825039888 607548108 /nfs/dbraw/zinc/54/81/08/607548108.db2.gz YEALWEJCADSKFG-BBRMVZONSA-N -1 3 357.458 3.061 20 0 FGADHM CCC1(CC)[C@H](N[C@@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2C)C[C@@H]1OC ZINC000829055862 602177256 /nfs/dbraw/zinc/17/72/56/602177256.db2.gz PEZBBNQKWDCCCM-XKQJLSEDSA-N -1 3 362.470 3.204 20 0 FGADHM COc1cc(OC)cc([C@H](NCc2ccc(OC)c(Cl)c2)C(=O)[O-])c1 ZINC000832057900 602179522 /nfs/dbraw/zinc/17/95/22/602179522.db2.gz SLZFSLYNRLGWIT-KRWDZBQOSA-N -1 3 365.813 3.281 20 0 FGADHM O=C(Nc1ccc2c(cnn2C(F)F)c1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000826456562 607555690 /nfs/dbraw/zinc/55/56/90/607555690.db2.gz LYWLMSYGXWHSNM-UHFFFAOYSA-N -1 3 370.323 3.256 20 0 FGADHM O=C(Nc1ccc2c(cnn2C(F)F)c1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000826456562 607555692 /nfs/dbraw/zinc/55/56/92/607555692.db2.gz LYWLMSYGXWHSNM-UHFFFAOYSA-N -1 3 370.323 3.256 20 0 FGADHM C[C@H]1CC[C@H](C)N1CC(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000828214119 602262991 /nfs/dbraw/zinc/26/29/91/602262991.db2.gz IOMULVJCWGUSAY-KBPBESRZSA-N -1 3 356.422 3.115 20 0 FGADHM CN(C)Cc1cccc(NC(=O)Nc2ccc3c(c2)CCN3C(=O)[O-])c1 ZINC000739614802 602270555 /nfs/dbraw/zinc/27/05/55/602270555.db2.gz JGVWERRHDCZTSC-UHFFFAOYSA-N -1 3 354.410 3.433 20 0 FGADHM CN(CCNCc1cccc(NC(=O)c2ccccc2Cl)c1)C(=O)[O-] ZINC000739699238 602294002 /nfs/dbraw/zinc/29/40/02/602294002.db2.gz RYOKNPUIYCAAJG-UHFFFAOYSA-N -1 3 361.829 3.292 20 0 FGADHM COc1ccc(CNc2ncnc3cc(Cl)ccc32)cc1-c1nnn[n-]1 ZINC000826204482 607560866 /nfs/dbraw/zinc/56/08/66/607560866.db2.gz MXGWRPBBDJPEID-UHFFFAOYSA-N -1 3 367.800 3.084 20 0 FGADHM COc1ccc(CNc2ncnc3cc(Cl)ccc32)cc1-c1nn[n-]n1 ZINC000826204482 607560868 /nfs/dbraw/zinc/56/08/68/607560868.db2.gz MXGWRPBBDJPEID-UHFFFAOYSA-N -1 3 367.800 3.084 20 0 FGADHM Cc1ccc(NC(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)cc1C(=O)[O-] ZINC000312603149 602366292 /nfs/dbraw/zinc/36/62/92/602366292.db2.gz YNXRGOPORQLGID-GOSISDBHSA-N -1 3 367.449 3.431 20 0 FGADHM CCCC[C@@H]1CCC[C@H]1NC(=O)NCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000825267726 607564394 /nfs/dbraw/zinc/56/43/94/607564394.db2.gz LYGWIKGVURECRC-GDBMZVCRSA-N -1 3 372.473 3.033 20 0 FGADHM CCCC[C@@H]1CCC[C@H]1NC(=O)NCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000825267726 607564397 /nfs/dbraw/zinc/56/43/97/607564397.db2.gz LYGWIKGVURECRC-GDBMZVCRSA-N -1 3 372.473 3.033 20 0 FGADHM C[C@@H](NC(=O)[O-])C1CCN(Cc2cccc(C(=O)N3CCCCC3)c2)CC1 ZINC000739014827 602444048 /nfs/dbraw/zinc/44/40/48/602444048.db2.gz KQDNVUZZALVOJV-MRXNPFEDSA-N -1 3 373.497 3.181 20 0 FGADHM O=C([O-])NCc1cccc(NC(=O)c2cccc(CN3CCCC3)c2)c1 ZINC000740679629 602515701 /nfs/dbraw/zinc/51/57/01/602515701.db2.gz FAVZKQWZRVORFL-UHFFFAOYSA-N -1 3 353.422 3.302 20 0 FGADHM CC[C@H](SC)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@H](C)C2 ZINC000825158920 607573413 /nfs/dbraw/zinc/57/34/13/607573413.db2.gz DROXQRLBWAVOOP-WPRPVWTQSA-N -1 3 351.501 3.133 20 0 FGADHM CC[C@H](SC)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@H](C)C2 ZINC000825158920 607573415 /nfs/dbraw/zinc/57/34/15/607573415.db2.gz DROXQRLBWAVOOP-WPRPVWTQSA-N -1 3 351.501 3.133 20 0 FGADHM CC[C@H](SC)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000825158845 607573765 /nfs/dbraw/zinc/57/37/65/607573765.db2.gz CDGQICLSCAFLPX-JTQLQIEISA-N -1 3 351.501 3.277 20 0 FGADHM CC[C@H](SC)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000825158845 607573767 /nfs/dbraw/zinc/57/37/67/607573767.db2.gz CDGQICLSCAFLPX-JTQLQIEISA-N -1 3 351.501 3.277 20 0 FGADHM Cc1nn(-c2ccccc2)c(Cl)c1CNCC[C@H]1CCN(C(=O)[O-])C1 ZINC000740242973 602686763 /nfs/dbraw/zinc/68/67/63/602686763.db2.gz NIDSQECHGQVQSK-AWEZNQCLSA-N -1 3 362.861 3.314 20 0 FGADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1)c1cc(-c2ccccc2)ns1 ZINC000826464918 607614377 /nfs/dbraw/zinc/61/43/77/607614377.db2.gz RNIZJDXXTVRHBN-UHFFFAOYSA-N -1 3 363.402 3.347 20 0 FGADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1)c1cc(-c2ccccc2)ns1 ZINC000826464918 607614378 /nfs/dbraw/zinc/61/43/78/607614378.db2.gz RNIZJDXXTVRHBN-UHFFFAOYSA-N -1 3 363.402 3.347 20 0 FGADHM C[C@H](NC(=O)[O-])c1ccc(NC(=O)NCCN(C)Cc2ccccc2)cc1 ZINC000825433524 603386490 /nfs/dbraw/zinc/38/64/90/603386490.db2.gz FHVLBVZFWASMAH-HNNXBMFYSA-N -1 3 370.453 3.269 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(C)Cc1c(F)cccc1Cl ZINC000826243779 607649402 /nfs/dbraw/zinc/64/94/02/607649402.db2.gz VOTRKXYIHJCXII-UHFFFAOYSA-N -1 3 359.792 3.240 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(C)Cc1c(F)cccc1Cl ZINC000826243779 607649404 /nfs/dbraw/zinc/64/94/04/607649404.db2.gz VOTRKXYIHJCXII-UHFFFAOYSA-N -1 3 359.792 3.240 20 0 FGADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OCCN(C)c1ccccc1 ZINC000826167396 607647760 /nfs/dbraw/zinc/64/77/60/607647760.db2.gz BWJSVCVKIYRSQA-UHFFFAOYSA-N -1 3 359.817 3.044 20 0 FGADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OCCN(C)c1ccccc1 ZINC000826167396 607647762 /nfs/dbraw/zinc/64/77/62/607647762.db2.gz BWJSVCVKIYRSQA-UHFFFAOYSA-N -1 3 359.817 3.044 20 0 FGADHM CCc1ccc(NC(=S)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC000825717667 607647960 /nfs/dbraw/zinc/64/79/60/607647960.db2.gz OCJLPOAHMPFVGQ-UHFFFAOYSA-N -1 3 364.478 3.405 20 0 FGADHM CCc1ccc(NC(=S)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000825717667 607647961 /nfs/dbraw/zinc/64/79/61/607647961.db2.gz OCJLPOAHMPFVGQ-UHFFFAOYSA-N -1 3 364.478 3.405 20 0 FGADHM COc1ccc2ccccc2c1CNC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000826213739 607658387 /nfs/dbraw/zinc/65/83/87/607658387.db2.gz KKSXPAPKRVPBJI-UHFFFAOYSA-N -1 3 373.416 3.267 20 0 FGADHM COc1ccc2ccccc2c1CNC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000826213739 607658388 /nfs/dbraw/zinc/65/83/88/607658388.db2.gz KKSXPAPKRVPBJI-UHFFFAOYSA-N -1 3 373.416 3.267 20 0 FGADHM CCCCOc1cccc(CNC(=O)c2ccc(-c3nnn[n-]3)cc2C)c1 ZINC000825296362 607664539 /nfs/dbraw/zinc/66/45/39/607664539.db2.gz GCSULQFGDRLHIK-UHFFFAOYSA-N -1 3 365.437 3.284 20 0 FGADHM CCCCOc1cccc(CNC(=O)c2ccc(-c3nn[n-]n3)cc2C)c1 ZINC000825296362 607664541 /nfs/dbraw/zinc/66/45/41/607664541.db2.gz GCSULQFGDRLHIK-UHFFFAOYSA-N -1 3 365.437 3.284 20 0 FGADHM CCCOc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)cc1OCCC ZINC000825339187 607682221 /nfs/dbraw/zinc/68/22/21/607682221.db2.gz QRDLRUZGVOJSQP-UHFFFAOYSA-N -1 3 370.413 3.025 20 0 FGADHM CCCOc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)cc1OCCC ZINC000825339187 607682222 /nfs/dbraw/zinc/68/22/22/607682222.db2.gz QRDLRUZGVOJSQP-UHFFFAOYSA-N -1 3 370.413 3.025 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1nc(-c2ccsc2)ns1 ZINC000826250509 607688281 /nfs/dbraw/zinc/68/82/81/607688281.db2.gz FBPZETGVZJKJIC-UHFFFAOYSA-N -1 3 369.435 3.007 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1nc(-c2ccsc2)ns1 ZINC000826250509 607688282 /nfs/dbraw/zinc/68/82/82/607688282.db2.gz FBPZETGVZJKJIC-UHFFFAOYSA-N -1 3 369.435 3.007 20 0 FGADHM O=C([O-])c1ccc(OCCN2CC[C@]3(O)CCCC[C@H]3C2)c(Cl)c1 ZINC000833321020 604369046 /nfs/dbraw/zinc/36/90/46/604369046.db2.gz FLDLXNOYHPXHQR-KBXCAEBGSA-N -1 3 353.846 3.044 20 0 FGADHM CCCN(C(=O)c1cccs1)C1CCN(C/C=C(\C)C(=O)[O-])CC1 ZINC000829452450 604423596 /nfs/dbraw/zinc/42/35/96/604423596.db2.gz AXNDIHNSRPCRDF-MKMNVTDBSA-N -1 3 350.484 3.096 20 0 FGADHM O=C([O-])N[C@@H]1CCN(CCC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000740592958 604431916 /nfs/dbraw/zinc/43/19/16/604431916.db2.gz 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362.437 3.305 20 0 FGADHM C[C@H]1CC[C@@H](NC(=O)NCc2ccc(-c3nn[n-]n3)cc2)c2ccccc21 ZINC000824915325 607755187 /nfs/dbraw/zinc/75/51/87/607755187.db2.gz CTPZXFZOMNTYMB-SCLBCKFNSA-N -1 3 362.437 3.305 20 0 FGADHM O=C([O-])N[C@@H]1CCC[C@H]2CN(Cc3coc(-c4ccc(F)cc4)n3)C[C@@H]21 ZINC000834186930 605433795 /nfs/dbraw/zinc/43/37/95/605433795.db2.gz XQNQRCYOTWHAQH-RRQGHBQHSA-N -1 3 359.401 3.349 20 0 FGADHM CCCN(CC(=O)Nc1cc(Cl)ccc1F)C1CCN(C(=O)[O-])CC1 ZINC000826904644 605480433 /nfs/dbraw/zinc/48/04/33/605480433.db2.gz YRZZWQGTGNVBHS-UHFFFAOYSA-N -1 3 371.840 3.272 20 0 FGADHM Cn1cc(CN2CCC(CNC(=O)[O-])CC2)c(-c2cc3ccccc3o2)n1 ZINC000833947345 605485888 /nfs/dbraw/zinc/48/58/88/605485888.db2.gz CPLZYVGFPKNXMU-UHFFFAOYSA-N -1 3 368.437 3.313 20 0 FGADHM CCOc1cc(CN2CCC[C@@H](CNC(=O)[O-])C2)ccc1OC(F)F ZINC000833861568 605553421 /nfs/dbraw/zinc/55/34/21/605553421.db2.gz MIIHZULMJORIAM-ZDUSSCGKSA-N -1 3 358.385 3.166 20 0 FGADHM O=C([O-])N1CCC[C@@H](NCc2cccc(NC(=O)c3ccccc3)c2)C1 ZINC000834054636 605577909 /nfs/dbraw/zinc/57/79/09/605577909.db2.gz VTXHOWIFJLYAEG-GOSISDBHSA-N -1 3 353.422 3.171 20 0 FGADHM Cc1c(NC(=O)NC2CCC(OC(C)C)CC2)cccc1-c1nnn[n-]1 ZINC000826241666 607764995 /nfs/dbraw/zinc/76/49/95/607764995.db2.gz KVWSNUNCQJJJDR-UHFFFAOYSA-N -1 3 358.446 3.033 20 0 FGADHM Cc1c(NC(=O)NC2CCC(OC(C)C)CC2)cccc1-c1nn[n-]n1 ZINC000826241666 607764996 /nfs/dbraw/zinc/76/49/96/607764996.db2.gz KVWSNUNCQJJJDR-UHFFFAOYSA-N -1 3 358.446 3.033 20 0 FGADHM Cc1ncc(C(=O)Nc2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)s1 ZINC000826329688 607769538 /nfs/dbraw/zinc/76/95/38/607769538.db2.gz NNZFXYHTDUVHQP-UHFFFAOYSA-N -1 3 369.435 3.007 20 0 FGADHM Cc1ncc(C(=O)Nc2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)s1 ZINC000826329688 607769539 /nfs/dbraw/zinc/76/95/39/607769539.db2.gz NNZFXYHTDUVHQP-UHFFFAOYSA-N -1 3 369.435 3.007 20 0 FGADHM O=C(CCc1ccco1)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000826409303 607770074 /nfs/dbraw/zinc/77/00/74/607770074.db2.gz QVFXSBBCDIWBND-UHFFFAOYSA-N -1 3 366.406 3.155 20 0 FGADHM O=C(CCc1ccco1)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826409303 607770075 /nfs/dbraw/zinc/77/00/75/607770075.db2.gz QVFXSBBCDIWBND-UHFFFAOYSA-N -1 3 366.406 3.155 20 0 FGADHM CCCCO[C@H](C)C(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000825291088 607770267 /nfs/dbraw/zinc/77/02/67/607770267.db2.gz MDAUGHTZHIPZSE-LLVKDONJSA-N -1 3 372.454 3.134 20 0 FGADHM CCCCO[C@H](C)C(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000825291088 607770268 /nfs/dbraw/zinc/77/02/68/607770268.db2.gz MDAUGHTZHIPZSE-LLVKDONJSA-N -1 3 372.454 3.134 20 0 FGADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1cccc2ccsc21 ZINC000824757175 607771952 /nfs/dbraw/zinc/77/19/52/607771952.db2.gz TZIDMKUHFCCXJS-LLVKDONJSA-N -1 3 365.418 3.487 20 0 FGADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1cccc2ccsc21 ZINC000824757175 607771953 /nfs/dbraw/zinc/77/19/53/607771953.db2.gz TZIDMKUHFCCXJS-LLVKDONJSA-N -1 3 365.418 3.487 20 0 FGADHM O=C([O-])Nc1cccc(CC(=O)N2CCCN(Cc3ccccc3)CC2)c1 ZINC000834265443 605759292 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0 FGADHM Cc1nc(C)n(C[C@@H]2CCCN(Cc3cc(C(=O)[O-])ccc3Cl)C2)n1 ZINC000833755341 605833486 /nfs/dbraw/zinc/83/34/86/605833486.db2.gz JSNYEMAIAQYODU-CQSZACIVSA-N -1 3 362.861 3.159 20 0 FGADHM CC(C)Nc1cc(F)ccc1NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000820136689 606020878 /nfs/dbraw/zinc/02/08/78/606020878.db2.gz AMAVLODXBNHEOP-YFHOEESVSA-N -1 3 366.400 3.478 20 0 FGADHM CC(C)Nc1cc(F)ccc1NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000820136689 606020880 /nfs/dbraw/zinc/02/08/80/606020880.db2.gz AMAVLODXBNHEOP-YFHOEESVSA-N -1 3 366.400 3.478 20 0 FGADHM O=C1[C@H](Sc2ccc(-c3nnn[n-]3)cc2)CCN1c1cccc(Cl)c1 ZINC000823510810 606022920 /nfs/dbraw/zinc/02/29/20/606022920.db2.gz AGJDHMKVHBRRMO-OAHLLOKOSA-N -1 3 371.853 3.418 20 0 FGADHM O=C1[C@H](Sc2ccc(-c3nn[n-]n3)cc2)CCN1c1cccc(Cl)c1 ZINC000823510810 606022926 /nfs/dbraw/zinc/02/29/26/606022926.db2.gz AGJDHMKVHBRRMO-OAHLLOKOSA-N -1 3 371.853 3.418 20 0 FGADHM C[C@@H](NC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc(-c2ccncc2)cc1 ZINC000820397997 606028959 /nfs/dbraw/zinc/02/89/59/606028959.db2.gz YPOMUXULDYNANL-CQSZACIVSA-N -1 3 370.416 3.420 20 0 FGADHM C[C@@H](NC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc(-c2ccncc2)cc1 ZINC000820397997 606028962 /nfs/dbraw/zinc/02/89/62/606028962.db2.gz YPOMUXULDYNANL-CQSZACIVSA-N -1 3 370.416 3.420 20 0 FGADHM O=C([O-])N1CCC[C@@H](NCc2nccn2CCCc2ccccc2)CC1 ZINC000834107449 606042767 /nfs/dbraw/zinc/04/27/67/606042767.db2.gz PQWZDUJEBLOMKO-GOSISDBHSA-N -1 3 356.470 3.138 20 0 FGADHM Cc1ccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1N1CCOC1=O ZINC000822254750 606049240 /nfs/dbraw/zinc/04/92/40/606049240.db2.gz QICXJTISPVZNJA-ZDUSSCGKSA-N -1 3 364.409 3.305 20 0 FGADHM Cc1ccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1N1CCOC1=O ZINC000822254750 606049247 /nfs/dbraw/zinc/04/92/47/606049247.db2.gz QICXJTISPVZNJA-ZDUSSCGKSA-N -1 3 364.409 3.305 20 0 FGADHM CN(C[C@@H]1OCCc2ccccc21)c1nc2ccccc2cc1-c1nnn[n-]1 ZINC000821598292 606068484 /nfs/dbraw/zinc/06/84/84/606068484.db2.gz XFSSSXYENROVTI-IBGZPJMESA-N -1 3 372.432 3.165 20 0 FGADHM CN(C[C@@H]1OCCc2ccccc21)c1nc2ccccc2cc1-c1nn[n-]n1 ZINC000821598292 606068490 /nfs/dbraw/zinc/06/84/90/606068490.db2.gz XFSSSXYENROVTI-IBGZPJMESA-N -1 3 372.432 3.165 20 0 FGADHM C[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)cc2)[C@@H]1c1cccc(F)c1 ZINC000820716707 606109989 /nfs/dbraw/zinc/10/99/89/606109989.db2.gz KMLWPRMGVQXJMG-SJCJKPOMSA-N -1 3 351.385 3.229 20 0 FGADHM C[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)cc2)[C@@H]1c1cccc(F)c1 ZINC000820716707 606109990 /nfs/dbraw/zinc/10/99/90/606109990.db2.gz KMLWPRMGVQXJMG-SJCJKPOMSA-N -1 3 351.385 3.229 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N1Cc2ccccc2[C@H]1C ZINC000821406468 606115849 /nfs/dbraw/zinc/11/58/49/606115849.db2.gz FQRDINOSZLCGSB-GFCCVEGCSA-N -1 3 364.409 3.374 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N1Cc2ccccc2[C@H]1C ZINC000821406468 606115851 /nfs/dbraw/zinc/11/58/51/606115851.db2.gz FQRDINOSZLCGSB-GFCCVEGCSA-N -1 3 364.409 3.374 20 0 FGADHM Cc1ccc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)cc1Br ZINC000822226234 606122611 /nfs/dbraw/zinc/12/26/11/606122611.db2.gz JANONAZAVFSXBK-UHFFFAOYSA-N -1 3 372.226 3.498 20 0 FGADHM Cc1ccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)cc1Br ZINC000822226234 606122612 /nfs/dbraw/zinc/12/26/12/606122612.db2.gz JANONAZAVFSXBK-UHFFFAOYSA-N -1 3 372.226 3.498 20 0 FGADHM Cc1nc(CCCC(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000822439415 606127599 /nfs/dbraw/zinc/12/75/99/606127599.db2.gz AWZPSIGKBUTTTA-LLVKDONJSA-N -1 3 357.439 3.259 20 0 FGADHM Cc1nc(CCCC(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000822439415 606127601 /nfs/dbraw/zinc/12/76/01/606127601.db2.gz AWZPSIGKBUTTTA-LLVKDONJSA-N -1 3 357.439 3.259 20 0 FGADHM CC[C@@H](Oc1ccccc1C)C(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000820938689 606148400 /nfs/dbraw/zinc/14/84/00/606148400.db2.gz LUHYIGLSBDZWJY-MRXNPFEDSA-N -1 3 370.384 3.215 20 0 FGADHM CC[C@@H](Oc1ccccc1C)C(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000820938689 606148402 /nfs/dbraw/zinc/14/84/02/606148402.db2.gz LUHYIGLSBDZWJY-MRXNPFEDSA-N -1 3 370.384 3.215 20 0 FGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1cnn(C(C)C)c1 ZINC000820121630 606160599 /nfs/dbraw/zinc/16/05/99/606160599.db2.gz SPDCRJQDXUMDNJ-UHFFFAOYSA-N -1 3 368.445 3.087 20 0 FGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cnn(C(C)C)c1 ZINC000820121630 606160600 /nfs/dbraw/zinc/16/06/00/606160600.db2.gz SPDCRJQDXUMDNJ-UHFFFAOYSA-N -1 3 368.445 3.087 20 0 FGADHM CCc1cnc(CN(C)c2c(-c3nnn[n-]3)cnc3ccccc32)s1 ZINC000821497737 606164126 /nfs/dbraw/zinc/16/41/26/606164126.db2.gz YRMZVRNQEFWLJP-UHFFFAOYSA-N -1 3 351.439 3.070 20 0 FGADHM CCc1cnc(CN(C)c2c(-c3nn[n-]n3)cnc3ccccc32)s1 ZINC000821497737 606164127 /nfs/dbraw/zinc/16/41/27/606164127.db2.gz YRMZVRNQEFWLJP-UHFFFAOYSA-N -1 3 351.439 3.070 20 0 FGADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)Oc1ccc(N2CCCC2)cc1 ZINC000822979073 606182191 /nfs/dbraw/zinc/18/21/91/606182191.db2.gz WHEQRJHGMZDBLA-UHFFFAOYSA-N -1 3 363.421 3.005 20 0 FGADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)Oc1ccc(N2CCCC2)cc1 ZINC000822979073 606182192 /nfs/dbraw/zinc/18/21/92/606182192.db2.gz WHEQRJHGMZDBLA-UHFFFAOYSA-N -1 3 363.421 3.005 20 0 FGADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)Oc1ccc(-c2cscn2)cc1 ZINC000823082828 606182616 /nfs/dbraw/zinc/18/26/16/606182616.db2.gz SADWFOIOSKRKDP-UHFFFAOYSA-N -1 3 363.402 3.138 20 0 FGADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)Oc1ccc(-c2cscn2)cc1 ZINC000823082828 606182618 /nfs/dbraw/zinc/18/26/18/606182618.db2.gz SADWFOIOSKRKDP-UHFFFAOYSA-N -1 3 363.402 3.138 20 0 FGADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1)c1cccc(C(F)(F)F)c1F ZINC000823451637 606183669 /nfs/dbraw/zinc/18/36/69/606183669.db2.gz XCVIWZQGZZXQNY-UHFFFAOYSA-N -1 3 352.247 3.244 20 0 FGADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1)c1cccc(C(F)(F)F)c1F ZINC000823451637 606183670 /nfs/dbraw/zinc/18/36/70/606183670.db2.gz XCVIWZQGZZXQNY-UHFFFAOYSA-N -1 3 352.247 3.244 20 0 FGADHM C[C@@H]1[C@H](C)Sc2ccccc2N1C(=O)c1sccc1-c1nnn[n-]1 ZINC000820822384 606190960 /nfs/dbraw/zinc/19/09/60/606190960.db2.gz YZNOEFODLVFDDZ-ZJUUUORDSA-N -1 3 357.464 3.458 20 0 FGADHM C[C@@H]1[C@H](C)Sc2ccccc2N1C(=O)c1sccc1-c1nn[n-]n1 ZINC000820822384 606190961 /nfs/dbraw/zinc/19/09/61/606190961.db2.gz YZNOEFODLVFDDZ-ZJUUUORDSA-N -1 3 357.464 3.458 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CCCc1ccccn1 ZINC000821118007 606192554 /nfs/dbraw/zinc/19/25/54/606192554.db2.gz DQXKYDUYWDOJBU-UHFFFAOYSA-N -1 3 365.441 3.045 20 0 FGADHM c1sc(CNc2cccc(OC[C@@H]3CCCO3)c2)cc1-c1nnn[n-]1 ZINC000823756731 606220586 /nfs/dbraw/zinc/22/05/86/606220586.db2.gz GKLSRNMIVMJJNL-HNNXBMFYSA-N -1 3 357.439 3.098 20 0 FGADHM c1sc(CNc2cccc(OC[C@@H]3CCCO3)c2)cc1-c1nn[n-]n1 ZINC000823756731 606220587 /nfs/dbraw/zinc/22/05/87/606220587.db2.gz GKLSRNMIVMJJNL-HNNXBMFYSA-N -1 3 357.439 3.098 20 0 FGADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N[C@@H](CC(C)(C)C)c1ccccc1 ZINC000822632091 606228062 /nfs/dbraw/zinc/22/80/62/606228062.db2.gz QOCFWULVTASYKG-HNNXBMFYSA-N -1 3 352.442 3.113 20 0 FGADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N[C@@H](CC(C)(C)C)c1ccccc1 ZINC000822632091 606228063 /nfs/dbraw/zinc/22/80/63/606228063.db2.gz QOCFWULVTASYKG-HNNXBMFYSA-N -1 3 352.442 3.113 20 0 FGADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N(Cc1ccccc1)C1CCCCC1 ZINC000822623117 606233296 /nfs/dbraw/zinc/23/32/96/606233296.db2.gz OXHRPSICNQOLJE-UHFFFAOYSA-N -1 3 364.453 3.180 20 0 FGADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N(Cc1ccccc1)C1CCCCC1 ZINC000822623117 606233298 /nfs/dbraw/zinc/23/32/98/606233298.db2.gz OXHRPSICNQOLJE-UHFFFAOYSA-N -1 3 364.453 3.180 20 0 FGADHM c1sc(CCc2ccccc2)nc1CNc1ccc(-c2nnn[n-]2)cn1 ZINC000823780728 606234031 /nfs/dbraw/zinc/23/40/31/606234031.db2.gz VCAOXWHYCXCFCL-UHFFFAOYSA-N -1 3 363.450 3.116 20 0 FGADHM c1sc(CCc2ccccc2)nc1CNc1ccc(-c2nn[n-]n2)cn1 ZINC000823780728 606234033 /nfs/dbraw/zinc/23/40/33/606234033.db2.gz VCAOXWHYCXCFCL-UHFFFAOYSA-N -1 3 363.450 3.116 20 0 FGADHM CCCc1ccccc1N[C@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O ZINC000821142275 606245101 /nfs/dbraw/zinc/24/51/01/606245101.db2.gz FZGAETOEXAKJEG-HNNXBMFYSA-N -1 3 368.466 3.098 20 0 FGADHM CCCc1ccccc1N[C@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O ZINC000821142275 606245102 /nfs/dbraw/zinc/24/51/02/606245102.db2.gz FZGAETOEXAKJEG-HNNXBMFYSA-N -1 3 368.466 3.098 20 0 FGADHM O=C(NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1)[C@@H]1C[C@H]1C1CC1 ZINC000823253777 606257178 /nfs/dbraw/zinc/25/71/78/606257178.db2.gz LTUUYQFTDCWHOZ-LSDHHAIUSA-N -1 3 365.462 3.258 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)c1cccc(Br)c1 ZINC000823347431 606269014 /nfs/dbraw/zinc/26/90/14/606269014.db2.gz XVOBVNRTUBPRAC-UHFFFAOYSA-N -1 3 362.162 3.021 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)c1cccc(Br)c1 ZINC000823347431 606269015 /nfs/dbraw/zinc/26/90/15/606269015.db2.gz XVOBVNRTUBPRAC-UHFFFAOYSA-N -1 3 362.162 3.021 20 0 FGADHM O=C(Cc1c[nH]c2cc(Cl)ccc12)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000823073953 606269463 /nfs/dbraw/zinc/26/94/63/606269463.db2.gz GBUGKPLERDSKQM-UHFFFAOYSA-N -1 3 370.775 3.322 20 0 FGADHM O=C(Cc1c[nH]c2cc(Cl)ccc12)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000823073953 606269465 /nfs/dbraw/zinc/26/94/65/606269465.db2.gz GBUGKPLERDSKQM-UHFFFAOYSA-N -1 3 370.775 3.322 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)c1ccc(Br)s1 ZINC000823346861 606270983 /nfs/dbraw/zinc/27/09/83/606270983.db2.gz RQLNZHOOHRSYNS-UHFFFAOYSA-N -1 3 368.191 3.082 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)c1ccc(Br)s1 ZINC000823346861 606270985 /nfs/dbraw/zinc/27/09/85/606270985.db2.gz RQLNZHOOHRSYNS-UHFFFAOYSA-N -1 3 368.191 3.082 20 0 FGADHM COc1ccc(SCCC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000821846700 606271534 /nfs/dbraw/zinc/27/15/34/606271534.db2.gz XXIQYAASFPNHGU-UHFFFAOYSA-N -1 3 373.413 3.135 20 0 FGADHM COc1ccc(SCCC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000821846700 606271536 /nfs/dbraw/zinc/27/15/36/606271536.db2.gz XXIQYAASFPNHGU-UHFFFAOYSA-N -1 3 373.413 3.135 20 0 FGADHM Cc1cccc(-c2ccc(CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)cc2)c1 ZINC000822283875 606277318 /nfs/dbraw/zinc/27/73/18/606277318.db2.gz FWTYADIROWIRHQ-UHFFFAOYSA-N -1 3 358.405 3.100 20 0 FGADHM Cc1cccc(-c2ccc(CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)cc2)c1 ZINC000822283875 606277319 /nfs/dbraw/zinc/27/73/19/606277319.db2.gz FWTYADIROWIRHQ-UHFFFAOYSA-N -1 3 358.405 3.100 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc2[nH]ccc2c1 ZINC000821123785 606280105 /nfs/dbraw/zinc/28/01/05/606280105.db2.gz YMDQEWUPBUKVIW-UHFFFAOYSA-N -1 3 361.409 3.422 20 0 FGADHM C[C@H]([C@@H](C)c1ccc(Cl)cc1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000820562532 606298516 /nfs/dbraw/zinc/29/85/16/606298516.db2.gz GOUIDQRQRRCMPE-GHMZBOCLSA-N -1 3 358.833 3.112 20 0 FGADHM C[C@H]([C@@H](C)c1ccc(Cl)cc1)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000820562532 606298517 /nfs/dbraw/zinc/29/85/17/606298517.db2.gz GOUIDQRQRRCMPE-GHMZBOCLSA-N -1 3 358.833 3.112 20 0 FGADHM COC(=O)[C@@H](NCc1cccc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000821645196 606303727 /nfs/dbraw/zinc/30/37/27/606303727.db2.gz TYZJGFIVUAGDLT-IBGZPJMESA-N -1 3 373.416 3.024 20 0 FGADHM COC(=O)[C@@H](NCc1cccc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000821645196 606303729 /nfs/dbraw/zinc/30/37/29/606303729.db2.gz TYZJGFIVUAGDLT-IBGZPJMESA-N -1 3 373.416 3.024 20 0 FGADHM Cc1ccc(NC(=O)[C@@H](C)Sc2cccc(-c3nnn[n-]3)c2)cc1F ZINC000822242503 606328963 /nfs/dbraw/zinc/32/89/63/606328963.db2.gz MYVSLRZJTDAQOS-LLVKDONJSA-N -1 3 357.414 3.434 20 0 FGADHM Cc1ccc(NC(=O)[C@@H](C)Sc2cccc(-c3nn[n-]n3)c2)cc1F ZINC000822242503 606328964 /nfs/dbraw/zinc/32/89/64/606328964.db2.gz MYVSLRZJTDAQOS-LLVKDONJSA-N -1 3 357.414 3.434 20 0 FGADHM C[C@H](NC(=O)N1[C@H](C)C[C@@H]2CCCC[C@@H]21)c1ccc(-c2nnn[n-]2)cc1 ZINC000820340209 606342086 /nfs/dbraw/zinc/34/20/86/606342086.db2.gz IKQASHLPWQOENW-OQUILHJVSA-N -1 3 354.458 3.290 20 0 FGADHM C[C@H](NC(=O)N1[C@H](C)C[C@@H]2CCCC[C@@H]21)c1ccc(-c2nn[n-]n2)cc1 ZINC000820340209 606342088 /nfs/dbraw/zinc/34/20/88/606342088.db2.gz IKQASHLPWQOENW-OQUILHJVSA-N -1 3 354.458 3.290 20 0 FGADHM CCO[C@H](C(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000821346759 606342684 /nfs/dbraw/zinc/34/26/84/606342684.db2.gz PLFKBCSCXBITMK-DYVFJYSZSA-N -1 3 352.394 3.249 20 0 FGADHM CCO[C@H](C(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000821346759 606342686 /nfs/dbraw/zinc/34/26/86/606342686.db2.gz PLFKBCSCXBITMK-DYVFJYSZSA-N -1 3 352.394 3.249 20 0 FGADHM C[C@H](OC(=O)CCCOc1ccccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000820497446 606347550 /nfs/dbraw/zinc/34/75/50/606347550.db2.gz RMRKAACOOJTGGT-ZDUSSCGKSA-N -1 3 370.384 3.469 20 0 FGADHM C[C@H](OC(=O)CCCOc1ccccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000820497446 606347552 /nfs/dbraw/zinc/34/75/52/606347552.db2.gz RMRKAACOOJTGGT-ZDUSSCGKSA-N -1 3 370.384 3.469 20 0 FGADHM CCc1ccc(OCC(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821487121 606351725 /nfs/dbraw/zinc/35/17/25/606351725.db2.gz RONKAWQDKBQCGM-CYBMUJFWSA-N -1 3 352.394 3.112 20 0 FGADHM CCc1ccc(OCC(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821487121 606351726 /nfs/dbraw/zinc/35/17/26/606351726.db2.gz RONKAWQDKBQCGM-CYBMUJFWSA-N -1 3 352.394 3.112 20 0 FGADHM COc1ccc([C@@H](C)C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821778087 606351783 /nfs/dbraw/zinc/35/17/83/606351783.db2.gz TZANPCPDENSBEB-CHWSQXEVSA-N -1 3 352.394 3.283 20 0 FGADHM COc1ccc([C@@H](C)C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821778087 606351784 /nfs/dbraw/zinc/35/17/84/606351784.db2.gz TZANPCPDENSBEB-CHWSQXEVSA-N -1 3 352.394 3.283 20 0 FGADHM C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820643750 606351963 /nfs/dbraw/zinc/35/19/63/606351963.db2.gz YRMFYVGFSLUCAE-WFASDCNBSA-N -1 3 366.400 3.416 20 0 FGADHM C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820643750 606351965 /nfs/dbraw/zinc/35/19/65/606351965.db2.gz YRMFYVGFSLUCAE-WFASDCNBSA-N -1 3 366.400 3.416 20 0 FGADHM Cc1cc(C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)nn1-c1ccccc1 ZINC000822183657 606357161 /nfs/dbraw/zinc/35/71/61/606357161.db2.gz JGWDNRJZAJFGSL-AWEZNQCLSA-N -1 3 374.404 3.279 20 0 FGADHM Cc1cc(C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)nn1-c1ccccc1 ZINC000822183657 606357163 /nfs/dbraw/zinc/35/71/63/606357163.db2.gz JGWDNRJZAJFGSL-AWEZNQCLSA-N -1 3 374.404 3.279 20 0 FGADHM CS/C=C/C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821955752 606360737 /nfs/dbraw/zinc/36/07/37/606360737.db2.gz ASRPCJVJQAHAOL-MDZDMXLPSA-N -1 3 353.407 3.474 20 0 FGADHM CS/C=C/C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821955752 606360739 /nfs/dbraw/zinc/36/07/39/606360739.db2.gz ASRPCJVJQAHAOL-MDZDMXLPSA-N -1 3 353.407 3.474 20 0 FGADHM C[C@H]1CC(C)(C)CC[C@H]1NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000820649234 606383257 /nfs/dbraw/zinc/38/32/57/606383257.db2.gz KAEGXYZZDKLSIJ-XHDPSFHLSA-N -1 3 360.437 3.020 20 0 FGADHM C[C@H]1CC(C)(C)CC[C@H]1NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000820649234 606383258 /nfs/dbraw/zinc/38/32/58/606383258.db2.gz KAEGXYZZDKLSIJ-XHDPSFHLSA-N -1 3 360.437 3.020 20 0 FGADHM Cc1cccc2c(=O)[nH]c(C(Cl)=Cc3ccc(-c4nnn[n-]4)s3)nc12 ZINC000822332289 606389532 /nfs/dbraw/zinc/38/95/32/606389532.db2.gz MTSNQAQISHCUBT-YRNVUSSQSA-N -1 3 370.825 3.210 20 0 FGADHM COc1cccc(C(C)=CC(=O)OCc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000821859931 606391740 /nfs/dbraw/zinc/39/17/40/606391740.db2.gz UPMSGDNKZCRVRF-XYOKQWHBSA-N -1 3 368.368 3.161 20 0 FGADHM COc1cccc(C(C)=CC(=O)OCc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000821859931 606391742 /nfs/dbraw/zinc/39/17/42/606391742.db2.gz UPMSGDNKZCRVRF-XYOKQWHBSA-N -1 3 368.368 3.161 20 0 FGADHM CCCCCn1nc(C)cc1NC(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000821060676 606392222 /nfs/dbraw/zinc/39/22/22/606392222.db2.gz ICGUMKIGKJYZJV-UHFFFAOYSA-N -1 3 370.486 3.371 20 0 FGADHM CCCCCn1nc(C)cc1NC(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000821060676 606392224 /nfs/dbraw/zinc/39/22/24/606392224.db2.gz ICGUMKIGKJYZJV-UHFFFAOYSA-N -1 3 370.486 3.371 20 0 FGADHM COc1ccccc1C[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1F ZINC000821889963 606400990 /nfs/dbraw/zinc/40/09/90/606400990.db2.gz ICQLQSYTADVRGJ-OAHLLOKOSA-N -1 3 353.401 3.226 20 0 FGADHM CCOc1ccccc1C(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821431348 606414117 /nfs/dbraw/zinc/41/41/17/606414117.db2.gz QRFALAOKDJTWFR-UHFFFAOYSA-N -1 3 357.801 3.195 20 0 FGADHM CCOc1ccccc1C(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821431348 606414119 /nfs/dbraw/zinc/41/41/19/606414119.db2.gz QRFALAOKDJTWFR-UHFFFAOYSA-N -1 3 357.801 3.195 20 0 FGADHM CO[C@@H](C)c1nc(CNc2ccc(-c3nnn[n-]3)c(Cl)c2)cs1 ZINC000821675336 606430360 /nfs/dbraw/zinc/43/03/60/606430360.db2.gz IZAZLVXLAGNWPS-QMMMGPOBSA-N -1 3 350.835 3.296 20 0 FGADHM CO[C@@H](C)c1nc(CNc2ccc(-c3nn[n-]n3)c(Cl)c2)cs1 ZINC000821675336 606430361 /nfs/dbraw/zinc/43/03/61/606430361.db2.gz IZAZLVXLAGNWPS-QMMMGPOBSA-N -1 3 350.835 3.296 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NCc1csc([C@@H](C)OC)n1 ZINC000821412019 606430535 /nfs/dbraw/zinc/43/05/35/606430535.db2.gz FLQHLOMBMWKRFZ-SNVBAGLBSA-N -1 3 360.443 3.041 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NCc1csc([C@@H](C)OC)n1 ZINC000821412019 606430537 /nfs/dbraw/zinc/43/05/37/606430537.db2.gz FLQHLOMBMWKRFZ-SNVBAGLBSA-N -1 3 360.443 3.041 20 0 FGADHM Cc1nnc(N2CC=C(c3ccc(Cl)cc3)CC2)c(-c2nnn[n-]2)c1C ZINC000822510046 606432490 /nfs/dbraw/zinc/43/24/90/606432490.db2.gz HZSUJENSCMXEHO-UHFFFAOYSA-N -1 3 367.844 3.221 20 0 FGADHM Cc1nnc(N2CC=C(c3ccc(Cl)cc3)CC2)c(-c2nn[n-]n2)c1C ZINC000822510046 606432491 /nfs/dbraw/zinc/43/24/91/606432491.db2.gz HZSUJENSCMXEHO-UHFFFAOYSA-N -1 3 367.844 3.221 20 0 FGADHM Clc1ccc(Oc2ccc(Nc3ncccc3-c3nnn[n-]3)cc2)nn1 ZINC000822578886 606433240 /nfs/dbraw/zinc/43/32/40/606433240.db2.gz SKZIYDDCFFGQRT-UHFFFAOYSA-N -1 3 366.772 3.241 20 0 FGADHM Clc1ccc(Oc2ccc(Nc3ncccc3-c3nn[n-]n3)cc2)nn1 ZINC000822578886 606433241 /nfs/dbraw/zinc/43/32/41/606433241.db2.gz SKZIYDDCFFGQRT-UHFFFAOYSA-N -1 3 366.772 3.241 20 0 FGADHM Cc1cc(NC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)cnc1Cl ZINC000822208555 606437905 /nfs/dbraw/zinc/43/79/05/606437905.db2.gz XOQZTUDHDMBVDN-UHFFFAOYSA-N -1 3 374.857 3.095 20 0 FGADHM Cc1cc(NC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)cnc1Cl ZINC000822208555 606437907 /nfs/dbraw/zinc/43/79/07/606437907.db2.gz XOQZTUDHDMBVDN-UHFFFAOYSA-N -1 3 374.857 3.095 20 0 FGADHM O=C1CCCN1c1ccc(CNc2ccc(Cl)cc2-c2nnn[n-]2)cc1 ZINC000823530984 606443962 /nfs/dbraw/zinc/44/39/62/606443962.db2.gz WNQQOXCRQJQYBX-UHFFFAOYSA-N -1 3 368.828 3.259 20 0 FGADHM O=C1CCCN1c1ccc(CNc2ccc(Cl)cc2-c2nn[n-]n2)cc1 ZINC000823530984 606443963 /nfs/dbraw/zinc/44/39/63/606443963.db2.gz WNQQOXCRQJQYBX-UHFFFAOYSA-N -1 3 368.828 3.259 20 0 FGADHM C[C@@H](NC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1c(F)cccc1Cl ZINC000820333647 606444389 /nfs/dbraw/zinc/44/43/89/606444389.db2.gz FPJCMNXLSWMNIO-SNVBAGLBSA-N -1 3 359.792 3.079 20 0 FGADHM C[C@@H](NC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1c(F)cccc1Cl ZINC000820333647 606444390 /nfs/dbraw/zinc/44/43/90/606444390.db2.gz FPJCMNXLSWMNIO-SNVBAGLBSA-N -1 3 359.792 3.079 20 0 FGADHM c1ccc(OC[C@H]2CCCCO2)c(NCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000823751387 606451157 /nfs/dbraw/zinc/45/11/57/606451157.db2.gz IKAORZUPUJZZPL-QGZVFWFLSA-N -1 3 365.437 3.427 20 0 FGADHM c1ccc(OC[C@H]2CCCCO2)c(NCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000823751387 606451158 /nfs/dbraw/zinc/45/11/58/606451158.db2.gz IKAORZUPUJZZPL-QGZVFWFLSA-N -1 3 365.437 3.427 20 0 FGADHM O=C(OCCCc1nc2ccccc2s1)c1cc(-c2nnn[n-]2)cs1 ZINC000823405844 606463817 /nfs/dbraw/zinc/46/38/17/606463817.db2.gz WYTIZSGFAVDELT-UHFFFAOYSA-N -1 3 371.447 3.328 20 0 FGADHM O=C(OCCCc1nc2ccccc2s1)c1cc(-c2nn[n-]n2)cs1 ZINC000823405844 606463820 /nfs/dbraw/zinc/46/38/20/606463820.db2.gz WYTIZSGFAVDELT-UHFFFAOYSA-N -1 3 371.447 3.328 20 0 FGADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)O[C@@H](C1CCCC1)C(F)(F)F ZINC000823077936 606470538 /nfs/dbraw/zinc/47/05/38/606470538.db2.gz CUELBPKSVJNHEU-AWEZNQCLSA-N -1 3 354.332 3.074 20 0 FGADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)O[C@@H](C1CCCC1)C(F)(F)F ZINC000823077936 606470540 /nfs/dbraw/zinc/47/05/40/606470540.db2.gz CUELBPKSVJNHEU-AWEZNQCLSA-N -1 3 354.332 3.074 20 0 FGADHM Cc1nnc(Oc2ccc(-c3cscn3)cc2)c(-c2nnn[n-]2)c1C ZINC000822514099 606471582 /nfs/dbraw/zinc/47/15/82/606471582.db2.gz BSGNSOFZSCTDIY-UHFFFAOYSA-N -1 3 351.395 3.189 20 0 FGADHM CCC1(CNC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CCC1 ZINC000820962314 606471910 /nfs/dbraw/zinc/47/19/10/606471910.db2.gz OEKSHZXGYMYTMR-UHFFFAOYSA-N -1 3 350.879 3.387 20 0 FGADHM CCC1(CNC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CCC1 ZINC000820962314 606471911 /nfs/dbraw/zinc/47/19/11/606471911.db2.gz OEKSHZXGYMYTMR-UHFFFAOYSA-N -1 3 350.879 3.387 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N[C@@H](C1CCCC1)C(F)(F)F ZINC000823308501 606480446 /nfs/dbraw/zinc/48/04/46/606480446.db2.gz CAAXHGLMPRDPIG-LBPRGKRZSA-N -1 3 354.336 3.109 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N[C@@H](C1CCCC1)C(F)(F)F ZINC000823308501 606480448 /nfs/dbraw/zinc/48/04/48/606480448.db2.gz CAAXHGLMPRDPIG-LBPRGKRZSA-N -1 3 354.336 3.109 20 0 FGADHM Cn1cccc1[C@@H]1CCCN1Cc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000822694118 606480613 /nfs/dbraw/zinc/48/06/13/606480613.db2.gz VXCOKPIVONGVQM-HNNXBMFYSA-N -1 3 374.395 3.144 20 0 FGADHM O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1cc(-c2nnn[n-]2)cs1 ZINC000823357692 606482663 /nfs/dbraw/zinc/48/26/63/606482663.db2.gz YODKKRFXATWIGU-UHFFFAOYSA-N -1 3 369.406 3.222 20 0 FGADHM O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1cc(-c2nn[n-]n2)cs1 ZINC000823357692 606482665 /nfs/dbraw/zinc/48/26/65/606482665.db2.gz YODKKRFXATWIGU-UHFFFAOYSA-N -1 3 369.406 3.222 20 0 FGADHM O=C(Nc1ccccc1SC(F)F)c1cc(-c2nnn[n-]2)cs1 ZINC000823373415 606482841 /nfs/dbraw/zinc/48/28/41/606482841.db2.gz YWQLBJWTLOWZJZ-UHFFFAOYSA-N -1 3 353.379 3.495 20 0 FGADHM O=C(Nc1ccccc1SC(F)F)c1cc(-c2nn[n-]n2)cs1 ZINC000823373415 606482842 /nfs/dbraw/zinc/48/28/42/606482842.db2.gz YWQLBJWTLOWZJZ-UHFFFAOYSA-N -1 3 353.379 3.495 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1nc(-c2ccccc2)cs1 ZINC000823108042 606486137 /nfs/dbraw/zinc/48/61/37/606486137.db2.gz ISMNYAKIDPVJQA-UHFFFAOYSA-N -1 3 362.418 3.171 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1nc(-c2ccccc2)cs1 ZINC000823108042 606486138 /nfs/dbraw/zinc/48/61/38/606486138.db2.gz ISMNYAKIDPVJQA-UHFFFAOYSA-N -1 3 362.418 3.171 20 0 FGADHM CCCOc1ccc([C@@H](C)NC(=O)c2cc(-c3nnn[n-]3)cs2)cc1 ZINC000821127125 606490675 /nfs/dbraw/zinc/49/06/75/606490675.db2.gz BSQQBUUFKCICPE-LLVKDONJSA-N -1 3 357.439 3.208 20 0 FGADHM CCCOc1ccc([C@@H](C)NC(=O)c2cc(-c3nn[n-]n3)cs2)cc1 ZINC000821127125 606490676 /nfs/dbraw/zinc/49/06/76/606490676.db2.gz BSQQBUUFKCICPE-LLVKDONJSA-N -1 3 357.439 3.208 20 0 FGADHM O=C(NCCc1csc2ccccc12)c1cc(-c2nnn[n-]2)cs1 ZINC000823223548 606494796 /nfs/dbraw/zinc/49/47/96/606494796.db2.gz COYOSNZAPOIPMD-UHFFFAOYSA-N -1 3 355.448 3.115 20 0 FGADHM O=C(NCCc1csc2ccccc12)c1cc(-c2nn[n-]n2)cs1 ZINC000823223548 606494799 /nfs/dbraw/zinc/49/47/99/606494799.db2.gz COYOSNZAPOIPMD-UHFFFAOYSA-N -1 3 355.448 3.115 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccc(C)cc1F ZINC000821104786 606505246 /nfs/dbraw/zinc/50/52/46/606505246.db2.gz QMBOWKMYWWZRLQ-UHFFFAOYSA-N -1 3 353.401 3.367 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccc(C)cc1F ZINC000821104786 606505248 /nfs/dbraw/zinc/50/52/48/606505248.db2.gz QMBOWKMYWWZRLQ-UHFFFAOYSA-N -1 3 353.401 3.367 20 0 FGADHM O=C(Nc1cc(C(F)(F)F)ccc1F)c1cc(-c2nnn[n-]2)cs1 ZINC000823299106 606506560 /nfs/dbraw/zinc/50/65/60/606506560.db2.gz IALHHSOCBNUYEJ-UHFFFAOYSA-N -1 3 357.292 3.338 20 0 FGADHM O=C(Nc1cc(C(F)(F)F)ccc1F)c1cc(-c2nn[n-]n2)cs1 ZINC000823299106 606506561 /nfs/dbraw/zinc/50/65/61/606506561.db2.gz IALHHSOCBNUYEJ-UHFFFAOYSA-N -1 3 357.292 3.338 20 0 FGADHM O=C(N[C@@H](c1ccc(F)cc1)C1CCC1)c1cc(-c2nnn[n-]2)cs1 ZINC000823140712 606508170 /nfs/dbraw/zinc/50/81/70/606508170.db2.gz YDGZYRCYFSATAG-OAHLLOKOSA-N -1 3 357.414 3.339 20 0 FGADHM O=C(N[C@@H](c1ccc(F)cc1)C1CCC1)c1cc(-c2nn[n-]n2)cs1 ZINC000823140712 606508172 /nfs/dbraw/zinc/50/81/72/606508172.db2.gz YDGZYRCYFSATAG-OAHLLOKOSA-N -1 3 357.414 3.339 20 0 FGADHM O=C(Nc1ccc(Oc2ccccn2)cc1)c1cc(-c2nnn[n-]2)cs1 ZINC000823357660 606513451 /nfs/dbraw/zinc/51/34/51/606513451.db2.gz XINGFHZIPPXOKG-UHFFFAOYSA-N -1 3 364.390 3.368 20 0 FGADHM O=C(Nc1ccc(Oc2ccccn2)cc1)c1cc(-c2nn[n-]n2)cs1 ZINC000823357660 606513452 /nfs/dbraw/zinc/51/34/52/606513452.db2.gz XINGFHZIPPXOKG-UHFFFAOYSA-N -1 3 364.390 3.368 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N[C@H](c1ccccc1)C1CCCC1 ZINC000823092973 606513525 /nfs/dbraw/zinc/51/35/25/606513525.db2.gz QONPYXHHOZVCDW-HXUWFJFHSA-N -1 3 361.449 3.457 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N[C@H](c1ccccc1)C1CCCC1 ZINC000823092973 606513526 /nfs/dbraw/zinc/51/35/26/606513526.db2.gz QONPYXHHOZVCDW-HXUWFJFHSA-N -1 3 361.449 3.457 20 0 FGADHM CC(=Cc1ccc(F)cc1)C(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000819766579 606523172 /nfs/dbraw/zinc/52/31/72/606523172.db2.gz ZOTXCSROSBASKG-QBFSEMIESA-N -1 3 351.385 3.068 20 0 FGADHM CC(=Cc1ccc(F)cc1)C(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000819766579 606523174 /nfs/dbraw/zinc/52/31/74/606523174.db2.gz ZOTXCSROSBASKG-QBFSEMIESA-N -1 3 351.385 3.068 20 0 FGADHM C[C@H]1[C@@H](Cc2ccccc2)CCN1C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820642700 606525062 /nfs/dbraw/zinc/52/50/62/606525062.db2.gz KZUCFKODIFRESV-GXTWGEPZSA-N -1 3 353.451 3.022 20 0 FGADHM C[C@H]1[C@@H](Cc2ccccc2)CCN1C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820642700 606525064 /nfs/dbraw/zinc/52/50/64/606525064.db2.gz KZUCFKODIFRESV-GXTWGEPZSA-N -1 3 353.451 3.022 20 0 FGADHM C[C@H](C(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1)C1CCCC1 ZINC000819856340 606551358 /nfs/dbraw/zinc/55/13/58/606551358.db2.gz IUPUZZJPHVVWRD-AWEZNQCLSA-N -1 3 369.469 3.063 20 0 FGADHM C[C@H](C(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1)C1CCCC1 ZINC000819856340 606551360 /nfs/dbraw/zinc/55/13/60/606551360.db2.gz IUPUZZJPHVVWRD-AWEZNQCLSA-N -1 3 369.469 3.063 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1ccc(Oc2ccccc2)cn1 ZINC000823104234 606551426 /nfs/dbraw/zinc/55/14/26/606551426.db2.gz VDHKQXVCOGQLDP-UHFFFAOYSA-N -1 3 372.388 3.235 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1ccc(Oc2ccccc2)cn1 ZINC000823104234 606551427 /nfs/dbraw/zinc/55/14/27/606551427.db2.gz VDHKQXVCOGQLDP-UHFFFAOYSA-N -1 3 372.388 3.235 20 0 FGADHM O=C(c1cc(-c2nnn[n-]2)cs1)N1CCC(=Cc2cccc(F)c2)CC1 ZINC000823465981 606555291 /nfs/dbraw/zinc/55/52/91/606555291.db2.gz DLXHRMCXAFPJJJ-UHFFFAOYSA-N -1 3 369.425 3.387 20 0 FGADHM O=C(c1cc(-c2nn[n-]n2)cs1)N1CCC(=Cc2cccc(F)c2)CC1 ZINC000823465981 606555293 /nfs/dbraw/zinc/55/52/93/606555293.db2.gz DLXHRMCXAFPJJJ-UHFFFAOYSA-N -1 3 369.425 3.387 20 0 FGADHM Nc1c(Cl)cc(NC(=O)c2cc(-c3nnn[n-]3)cs2)cc1Cl ZINC000822903976 606556565 /nfs/dbraw/zinc/55/65/65/606556565.db2.gz RBGDQCNGNOHSPS-UHFFFAOYSA-N -1 3 355.210 3.070 20 0 FGADHM Nc1c(Cl)cc(NC(=O)c2cc(-c3nn[n-]n3)cs2)cc1Cl ZINC000822903976 606556567 /nfs/dbraw/zinc/55/65/67/606556567.db2.gz RBGDQCNGNOHSPS-UHFFFAOYSA-N -1 3 355.210 3.070 20 0 FGADHM Cc1cc(C)c(C(=O)OCc2ccc(-c3nnn[n-]3)cc2OC(F)F)o1 ZINC000822194324 606560507 /nfs/dbraw/zinc/56/05/07/606560507.db2.gz RYGLJGFUHXLGQJ-UHFFFAOYSA-N -1 3 364.308 3.035 20 0 FGADHM Cc1cc(C)c(C(=O)OCc2ccc(-c3nn[n-]n3)cc2OC(F)F)o1 ZINC000822194324 606560509 /nfs/dbraw/zinc/56/05/09/606560509.db2.gz RYGLJGFUHXLGQJ-UHFFFAOYSA-N -1 3 364.308 3.035 20 0 FGADHM Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000822350636 606568544 /nfs/dbraw/zinc/56/85/44/606568544.db2.gz FLQCMSAEXHHUCK-QAPCUYQASA-N -1 3 361.449 3.122 20 0 FGADHM Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000822350636 606568545 /nfs/dbraw/zinc/56/85/45/606568545.db2.gz FLQCMSAEXHHUCK-QAPCUYQASA-N -1 3 361.449 3.122 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N1CC[C@@H]1c1ccc(Cl)cc1 ZINC000823087151 606574769 /nfs/dbraw/zinc/57/47/69/606574769.db2.gz IGAYWCSHCFFDJL-MRXNPFEDSA-N -1 3 353.813 3.036 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N1CC[C@@H]1c1ccc(Cl)cc1 ZINC000823087151 606574770 /nfs/dbraw/zinc/57/47/70/606574770.db2.gz IGAYWCSHCFFDJL-MRXNPFEDSA-N -1 3 353.813 3.036 20 0 FGADHM C[C@H](NC(=O)C/C=C\c1cccc(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820322974 606578424 /nfs/dbraw/zinc/57/84/24/606578424.db2.gz VJSNCYJMZDGYAH-RJNRQISESA-N -1 3 351.385 3.287 20 0 FGADHM C[C@H](NC(=O)C/C=C\c1cccc(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820322974 606578426 /nfs/dbraw/zinc/57/84/26/606578426.db2.gz VJSNCYJMZDGYAH-RJNRQISESA-N -1 3 351.385 3.287 20 0 FGADHM CCOC(=O)[C@@H](CC)SCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000821321404 606590190 /nfs/dbraw/zinc/59/01/90/606590190.db2.gz WOKPEOLLWWCNJP-GFCCVEGCSA-N -1 3 372.397 3.043 20 0 FGADHM CCOC(=O)[C@@H](CC)SCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000821321404 606590191 /nfs/dbraw/zinc/59/01/91/606590191.db2.gz WOKPEOLLWWCNJP-GFCCVEGCSA-N -1 3 372.397 3.043 20 0 FGADHM COc1cccc([C@@H](C)CC(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC000821859406 606602738 /nfs/dbraw/zinc/60/27/38/606602738.db2.gz OCYMYDPOVSTUAA-AWEZNQCLSA-N -1 3 365.437 3.028 20 0 FGADHM COc1cccc([C@@H](C)CC(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC000821859406 606602740 /nfs/dbraw/zinc/60/27/40/606602740.db2.gz OCYMYDPOVSTUAA-AWEZNQCLSA-N -1 3 365.437 3.028 20 0 FGADHM COc1cccc([C@H](C)CC(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821859847 606602779 /nfs/dbraw/zinc/60/27/79/606602779.db2.gz UHDKVIMNCJSIGX-KGLIPLIRSA-N -1 3 365.437 3.246 20 0 FGADHM COc1cccc([C@H](C)CC(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821859847 606602780 /nfs/dbraw/zinc/60/27/80/606602780.db2.gz UHDKVIMNCJSIGX-KGLIPLIRSA-N -1 3 365.437 3.246 20 0 FGADHM COc1cccc([C@@H](C)CC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000821859166 606604084 /nfs/dbraw/zinc/60/40/84/606604084.db2.gz LUEQDSMYNRSOJP-NSHDSACASA-N -1 3 355.373 3.147 20 0 FGADHM COc1cccc([C@@H](C)CC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000821859166 606604085 /nfs/dbraw/zinc/60/40/85/606604085.db2.gz LUEQDSMYNRSOJP-NSHDSACASA-N -1 3 355.373 3.147 20 0 FGADHM COc1cccc([C@@H](C)CC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000821860255 606604496 /nfs/dbraw/zinc/60/44/96/606604496.db2.gz ZMRMPZYRXZRFSI-UONOGXRCSA-N -1 3 365.437 3.246 20 0 FGADHM COc1cccc([C@@H](C)CC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000821860255 606604498 /nfs/dbraw/zinc/60/44/98/606604498.db2.gz ZMRMPZYRXZRFSI-UONOGXRCSA-N -1 3 365.437 3.246 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)C/C=C/c1ccc(C)cc1 ZINC000821699698 606618105 /nfs/dbraw/zinc/61/81/05/606618105.db2.gz ZZQZLOZKJDYKLY-ONEGZZNKSA-N -1 3 350.378 3.193 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)C/C=C/c1ccc(C)cc1 ZINC000821699698 606618107 /nfs/dbraw/zinc/61/81/07/606618107.db2.gz ZZQZLOZKJDYKLY-ONEGZZNKSA-N -1 3 350.378 3.193 20 0 FGADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CCCCC[C@H]1/C=C/c1ccccc1 ZINC000823465973 606626577 /nfs/dbraw/zinc/62/65/77/606626577.db2.gz DHQKPSGMNFVITQ-DVQDXYAYSA-N -1 3 362.437 3.293 20 0 FGADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CCCCC[C@H]1/C=C/c1ccccc1 ZINC000823465973 606626579 /nfs/dbraw/zinc/62/65/79/606626579.db2.gz DHQKPSGMNFVITQ-DVQDXYAYSA-N -1 3 362.437 3.293 20 0 FGADHM C[C@@H](O)c1cccc(OCc2ccc(-c3nnn[n-]3)cc2OC(F)F)c1 ZINC000820481347 606638338 /nfs/dbraw/zinc/63/83/38/606638338.db2.gz VDZVGKPWLYIZDE-SNVBAGLBSA-N -1 3 362.336 3.100 20 0 FGADHM C[C@@H](O)c1cccc(OCc2ccc(-c3nn[n-]n3)cc2OC(F)F)c1 ZINC000820481347 606638339 /nfs/dbraw/zinc/63/83/39/606638339.db2.gz VDZVGKPWLYIZDE-SNVBAGLBSA-N -1 3 362.336 3.100 20 0 FGADHM Cc1ccccc1Cc1nc(CNc2cc(-c3nnn[n-]3)ccc2C)no1 ZINC000822361461 606656752 /nfs/dbraw/zinc/65/67/52/606656752.db2.gz BKPAKVOHTSMVKB-UHFFFAOYSA-N -1 3 361.409 3.069 20 0 FGADHM Cc1ccccc1Cc1nc(CNc2cc(-c3nn[n-]n3)ccc2C)no1 ZINC000822361461 606656753 /nfs/dbraw/zinc/65/67/53/606656753.db2.gz BKPAKVOHTSMVKB-UHFFFAOYSA-N -1 3 361.409 3.069 20 0 FGADHM O[C@@H]1CCCC[C@H]1Oc1ccc(NCc2ccc(-c3nnn[n-]3)s2)cc1 ZINC000823706749 606657706 /nfs/dbraw/zinc/65/77/06/606657706.db2.gz OHIPXGWKHPILRF-HZPDHXFCSA-N -1 3 371.466 3.223 20 0 FGADHM CC(C)N(Cc1ccccc1)C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820120351 606668337 /nfs/dbraw/zinc/66/83/37/606668337.db2.gz DDRQBULFIKTFFU-UHFFFAOYSA-N -1 3 357.364 3.196 20 0 FGADHM CC(C)N(Cc1ccccc1)C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820120351 606668338 /nfs/dbraw/zinc/66/83/38/606668338.db2.gz DDRQBULFIKTFFU-UHFFFAOYSA-N -1 3 357.364 3.196 20 0 FGADHM Cc1ccccc1[C@@H](C)N(C)C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000822345163 606669780 /nfs/dbraw/zinc/66/97/80/606669780.db2.gz GSSXWWFVDLREDF-LLVKDONJSA-N -1 3 357.364 3.287 20 0 FGADHM Cc1ccccc1[C@@H](C)N(C)C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000822345163 606669781 /nfs/dbraw/zinc/66/97/81/606669781.db2.gz GSSXWWFVDLREDF-LLVKDONJSA-N -1 3 357.364 3.287 20 0 FGADHM Cc1ccccc1[C@H](C)N(C)C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000822345164 606669814 /nfs/dbraw/zinc/66/98/14/606669814.db2.gz GSSXWWFVDLREDF-NSHDSACASA-N -1 3 357.364 3.287 20 0 FGADHM Cc1ccccc1[C@H](C)N(C)C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000822345164 606669815 /nfs/dbraw/zinc/66/98/15/606669815.db2.gz GSSXWWFVDLREDF-NSHDSACASA-N -1 3 357.364 3.287 20 0 FGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)[C@H]1C[C@@H]1Cc1ccccc1 ZINC000819972055 606673365 /nfs/dbraw/zinc/67/33/65/606673365.db2.gz ZAZBZDVOIYWYFP-HOCLYGCPSA-N -1 3 364.453 3.241 20 0 FGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)[C@H]1C[C@@H]1Cc1ccccc1 ZINC000819972055 606673366 /nfs/dbraw/zinc/67/33/66/606673366.db2.gz ZAZBZDVOIYWYFP-HOCLYGCPSA-N -1 3 364.453 3.241 20 0 FGADHM COc1c(Cl)cccc1NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821698484 606674477 /nfs/dbraw/zinc/67/44/77/606674477.db2.gz MHYZFHQLHVIVKT-UHFFFAOYSA-N -1 3 365.727 3.059 20 0 FGADHM COc1c(Cl)cccc1NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821698484 606674478 /nfs/dbraw/zinc/67/44/78/606674478.db2.gz MHYZFHQLHVIVKT-UHFFFAOYSA-N -1 3 365.727 3.059 20 0 FGADHM COC[C@@H](C)CC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821682017 606677537 /nfs/dbraw/zinc/67/75/37/606677537.db2.gz XYUUYPHWIBUROZ-ZDUSSCGKSA-N -1 3 367.409 3.270 20 0 FGADHM COC[C@@H](C)CC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821682017 606677538 /nfs/dbraw/zinc/67/75/38/606677538.db2.gz XYUUYPHWIBUROZ-ZDUSSCGKSA-N -1 3 367.409 3.270 20 0 FGADHM Cc1cccc2c1CCCN2C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000822341348 606680346 /nfs/dbraw/zinc/68/03/46/606680346.db2.gz WHUCARZTCCQCHF-UHFFFAOYSA-N -1 3 355.348 3.046 20 0 FGADHM Cc1cccc2c1CCCN2C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000822341348 606680347 /nfs/dbraw/zinc/68/03/47/606680347.db2.gz WHUCARZTCCQCHF-UHFFFAOYSA-N -1 3 355.348 3.046 20 0 FGADHM O=C(c1c(F)cc(-c2nnn[n-]2)cc1F)N1CCCC[C@@H]1c1ccco1 ZINC000823453893 606680455 /nfs/dbraw/zinc/68/04/55/606680455.db2.gz DNNNEXGKQSWAHH-CYBMUJFWSA-N -1 3 359.336 3.105 20 0 FGADHM O=C(c1c(F)cc(-c2nn[n-]n2)cc1F)N1CCCC[C@@H]1c1ccco1 ZINC000823453893 606680456 /nfs/dbraw/zinc/68/04/56/606680456.db2.gz DNNNEXGKQSWAHH-CYBMUJFWSA-N -1 3 359.336 3.105 20 0 FGADHM O=C(N[C@@H](CC1CC1)c1ccccc1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823139683 606683083 /nfs/dbraw/zinc/68/30/83/606683083.db2.gz JLORPVYELRULSP-INIZCTEOSA-N -1 3 369.375 3.416 20 0 FGADHM O=C(N[C@@H](CC1CC1)c1ccccc1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823139683 606683084 /nfs/dbraw/zinc/68/30/84/606683084.db2.gz JLORPVYELRULSP-INIZCTEOSA-N -1 3 369.375 3.416 20 0 FGADHM Fc1cc(NCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)ccc1Cl ZINC000822754001 606700317 /nfs/dbraw/zinc/70/03/17/606700317.db2.gz VUXBEYFQGWPZGQ-UHFFFAOYSA-N -1 3 371.763 3.321 20 0 FGADHM Fc1cc(NCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)ccc1Cl ZINC000822754001 606700319 /nfs/dbraw/zinc/70/03/19/606700319.db2.gz VUXBEYFQGWPZGQ-UHFFFAOYSA-N -1 3 371.763 3.321 20 0 FGADHM Clc1ccc(CCNc2nc3ccccc3cc2-c2nnn[n-]2)cn1 ZINC000822574806 606722044 /nfs/dbraw/zinc/72/20/44/606722044.db2.gz ZQGTWSDAGQOQAI-UHFFFAOYSA-N -1 3 351.801 3.118 20 0 FGADHM Clc1ccc(CCNc2nc3ccccc3cc2-c2nn[n-]n2)cn1 ZINC000822574806 606722047 /nfs/dbraw/zinc/72/20/47/606722047.db2.gz ZQGTWSDAGQOQAI-UHFFFAOYSA-N -1 3 351.801 3.118 20 0 FGADHM Clc1cccnc1OCCNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000822567726 606722927 /nfs/dbraw/zinc/72/29/27/606722927.db2.gz FYARHNANUJTSET-UHFFFAOYSA-N -1 3 351.197 3.059 20 0 FGADHM Clc1cccnc1OCCNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000822567726 606722929 /nfs/dbraw/zinc/72/29/29/606722929.db2.gz FYARHNANUJTSET-UHFFFAOYSA-N -1 3 351.197 3.059 20 0 FGADHM C[C@H](OC(=O)CCSc1ccccn1)c1cccc(-c2nnn[n-]2)c1 ZINC000820496652 606746911 /nfs/dbraw/zinc/74/69/11/606746911.db2.gz NMDSOAYZYURTPZ-LBPRGKRZSA-N -1 3 355.423 3.048 20 0 FGADHM C[C@H](OC(=O)CCSc1ccccn1)c1cccc(-c2nn[n-]n2)c1 ZINC000820496652 606746913 /nfs/dbraw/zinc/74/69/13/606746913.db2.gz NMDSOAYZYURTPZ-LBPRGKRZSA-N -1 3 355.423 3.048 20 0 FGADHM C[C@H](CCc1ccccc1)OC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820254907 606758177 /nfs/dbraw/zinc/75/81/77/606758177.db2.gz ZNZSVRXBFBCKAF-LLVKDONJSA-N -1 3 358.348 3.323 20 0 FGADHM C[C@H](CCc1ccccc1)OC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820254907 606758180 /nfs/dbraw/zinc/75/81/80/606758180.db2.gz ZNZSVRXBFBCKAF-LLVKDONJSA-N -1 3 358.348 3.323 20 0 FGADHM C[C@](O)(c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1)C(F)(F)F ZINC000820467300 606773464 /nfs/dbraw/zinc/77/34/64/606773464.db2.gz DBZLOJAZGQIRFV-INIZCTEOSA-N -1 3 364.327 3.216 20 0 FGADHM C[C@](O)(c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1)C(F)(F)F ZINC000820467300 606773466 /nfs/dbraw/zinc/77/34/66/606773466.db2.gz DBZLOJAZGQIRFV-INIZCTEOSA-N -1 3 364.327 3.216 20 0 FGADHM O=C(COc1cc(Cl)ccc1-c1nnn[n-]1)Nc1cccc(Cl)c1 ZINC000823031712 606781510 /nfs/dbraw/zinc/78/15/10/606781510.db2.gz HLPIGROIWPFUTK-UHFFFAOYSA-N -1 3 364.192 3.191 20 0 FGADHM O=C(COc1cc(Cl)ccc1-c1nn[n-]n1)Nc1cccc(Cl)c1 ZINC000823031712 606781511 /nfs/dbraw/zinc/78/15/11/606781511.db2.gz HLPIGROIWPFUTK-UHFFFAOYSA-N -1 3 364.192 3.191 20 0 FGADHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C1(CC(C)C)CCC1 ZINC000821689485 606784458 /nfs/dbraw/zinc/78/44/58/606784458.db2.gz ADMKZSOLHOWJNP-UHFFFAOYSA-N -1 3 371.485 3.058 20 0 FGADHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C1(CC(C)C)CCC1 ZINC000821689485 606784459 /nfs/dbraw/zinc/78/44/59/606784459.db2.gz ADMKZSOLHOWJNP-UHFFFAOYSA-N -1 3 371.485 3.058 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cc(F)cc(Cl)c1 ZINC000821413301 606787436 /nfs/dbraw/zinc/78/74/36/606787436.db2.gz ZNJCXJTVZWKWOS-UHFFFAOYSA-N -1 3 361.764 3.310 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(F)cc(Cl)c1 ZINC000821413301 606787437 /nfs/dbraw/zinc/78/74/37/606787437.db2.gz ZNJCXJTVZWKWOS-UHFFFAOYSA-N -1 3 361.764 3.310 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cccc(C(C)C)n1 ZINC000821104760 606787843 /nfs/dbraw/zinc/78/78/43/606787843.db2.gz PMNHKFBLVYXQLR-UHFFFAOYSA-N -1 3 364.453 3.438 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cccc(C(C)C)n1 ZINC000821104760 606787845 /nfs/dbraw/zinc/78/78/45/606787845.db2.gz PMNHKFBLVYXQLR-UHFFFAOYSA-N -1 3 364.453 3.438 20 0 FGADHM CC(C)OC(=O)O[C@@H](C)Sc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC000820142107 606791629 /nfs/dbraw/zinc/79/16/29/606791629.db2.gz GELWOJNNQQHOGE-SNVBAGLBSA-N -1 3 363.443 3.140 20 0 FGADHM CC(C)OC(=O)O[C@@H](C)Sc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC000820142107 606791631 /nfs/dbraw/zinc/79/16/31/606791631.db2.gz GELWOJNNQQHOGE-SNVBAGLBSA-N -1 3 363.443 3.140 20 0 FGADHM Cc1ccc(C)c([C@H]2CCCN2C(=O)Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822230363 606807780 /nfs/dbraw/zinc/80/77/80/606807780.db2.gz DNEBNLYSQNWGSD-LJQANCHMSA-N -1 3 361.449 3.390 20 0 FGADHM Cc1ccc(C)c([C@H]2CCCN2C(=O)Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822230363 606807782 /nfs/dbraw/zinc/80/77/82/606807782.db2.gz DNEBNLYSQNWGSD-LJQANCHMSA-N -1 3 361.449 3.390 20 0 FGADHM O=C(c1sccc1-c1nnn[n-]1)N1CCC(=Cc2ccccc2F)CC1 ZINC000823498656 606813526 /nfs/dbraw/zinc/81/35/26/606813526.db2.gz XURHCZFSUZFTAQ-UHFFFAOYSA-N -1 3 369.425 3.387 20 0 FGADHM O=C(c1sccc1-c1nn[n-]n1)N1CCC(=Cc2ccccc2F)CC1 ZINC000823498656 606813528 /nfs/dbraw/zinc/81/35/28/606813528.db2.gz XURHCZFSUZFTAQ-UHFFFAOYSA-N -1 3 369.425 3.387 20 0 FGADHM C[C@H](SCCCOc1cccc(-c2nnn[n-]2)c1)c1nc(C2CC2)no1 ZINC000820550814 606840390 /nfs/dbraw/zinc/84/03/90/606840390.db2.gz ZCGVMIDVEXJXLX-NSHDSACASA-N -1 3 372.454 3.390 20 0 FGADHM C[C@H](SCCCOc1cccc(-c2nn[n-]n2)c1)c1nc(C2CC2)no1 ZINC000820550814 606840391 /nfs/dbraw/zinc/84/03/91/606840391.db2.gz ZCGVMIDVEXJXLX-NSHDSACASA-N -1 3 372.454 3.390 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)Nc2ncccn2)cc1 ZINC000822144013 606845843 /nfs/dbraw/zinc/84/58/43/606845843.db2.gz JBGWHSFXRZDMCM-UHFFFAOYSA-N -1 3 373.376 3.010 20 0 FGADHM C[C@@H]1CCC[C@H](C)N1C(=O)CSc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820697530 606850986 /nfs/dbraw/zinc/85/09/86/606850986.db2.gz IISAYUNPDYJCQO-PHIMTYICSA-N -1 3 365.890 3.402 20 0 FGADHM C[C@@H]1CCC[C@H](C)N1C(=O)CSc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820697530 606850987 /nfs/dbraw/zinc/85/09/87/606850987.db2.gz IISAYUNPDYJCQO-PHIMTYICSA-N -1 3 365.890 3.402 20 0 FGADHM C[C@@H]1C[C@H](C)CN(C(=O)CSc2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC000820649144 606851172 /nfs/dbraw/zinc/85/11/72/606851172.db2.gz JDDJGKCQMXUYEM-PHIMTYICSA-N -1 3 365.890 3.117 20 0 FGADHM C[C@@H]1C[C@H](C)CN(C(=O)CSc2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC000820649144 606851174 /nfs/dbraw/zinc/85/11/74/606851174.db2.gz JDDJGKCQMXUYEM-PHIMTYICSA-N -1 3 365.890 3.117 20 0 FGADHM CCO[C@@H](C)c1noc(CSc2ccc(-c3nnn[n-]3)cc2Cl)n1 ZINC000821351455 606851792 /nfs/dbraw/zinc/85/17/92/606851792.db2.gz QKDJUCNJCGNFFK-QMMMGPOBSA-N -1 3 366.834 3.293 20 0 FGADHM CCO[C@@H](C)c1noc(CSc2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000821351455 606851794 /nfs/dbraw/zinc/85/17/94/606851794.db2.gz QKDJUCNJCGNFFK-QMMMGPOBSA-N -1 3 366.834 3.293 20 0 FGADHM CC(C)(C)c1nc(CSc2ccc(-c3nnn[n-]3)cc2Cl)no1 ZINC000819966179 606852764 /nfs/dbraw/zinc/85/27/64/606852764.db2.gz YIOGQZYODVEBHR-UHFFFAOYSA-N -1 3 350.835 3.493 20 0 FGADHM CC(C)(C)c1nc(CSc2ccc(-c3nn[n-]n3)cc2Cl)no1 ZINC000819966179 606852766 /nfs/dbraw/zinc/85/27/66/606852766.db2.gz YIOGQZYODVEBHR-UHFFFAOYSA-N -1 3 350.835 3.493 20 0 FGADHM C[C@H](NC(=O)N1[C@H](C)C[C@@H]2CCCC[C@@H]21)c1cccc(-c2nnn[n-]2)c1 ZINC000820341310 606870089 /nfs/dbraw/zinc/87/00/89/606870089.db2.gz PUDBWQRPVSJECG-RMRKRWHISA-N -1 3 354.458 3.290 20 0 FGADHM C[C@H](NC(=O)N1[C@H](C)C[C@@H]2CCCC[C@@H]21)c1cccc(-c2nn[n-]n2)c1 ZINC000820341310 606870090 /nfs/dbraw/zinc/87/00/90/606870090.db2.gz PUDBWQRPVSJECG-RMRKRWHISA-N -1 3 354.458 3.290 20 0 FGADHM COC(=O)c1sccc1CSc1nc(C)cc(C)c1-c1nnn[n-]1 ZINC000821672597 606873036 /nfs/dbraw/zinc/87/30/36/606873036.db2.gz QPTNTDWBNHTKSK-UHFFFAOYSA-N -1 3 361.452 3.019 20 0 FGADHM COC(=O)c1sccc1CSc1nc(C)cc(C)c1-c1nn[n-]n1 ZINC000821672597 606873037 /nfs/dbraw/zinc/87/30/37/606873037.db2.gz QPTNTDWBNHTKSK-UHFFFAOYSA-N -1 3 361.452 3.019 20 0 FGADHM c1ccc(N[C@@H]2CCCN(c3cc(-c4nnn[n-]4)c4ccccc4n3)C2)cc1 ZINC000823786699 606876213 /nfs/dbraw/zinc/87/62/13/606876213.db2.gz BRJZGCHCFFLZSD-MRXNPFEDSA-N -1 3 371.448 3.496 20 0 FGADHM c1ccc(N[C@@H]2CCCN(c3cc(-c4nn[n-]n4)c4ccccc4n3)C2)cc1 ZINC000823786699 606876215 /nfs/dbraw/zinc/87/62/15/606876215.db2.gz BRJZGCHCFFLZSD-MRXNPFEDSA-N -1 3 371.448 3.496 20 0 FGADHM CCS[C@@H]1CC[C@@H](N(C)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000821446474 606906099 /nfs/dbraw/zinc/90/60/99/606906099.db2.gz AUWGKBBAVRJSGS-VXGBXAGGSA-N -1 3 364.450 3.144 20 0 FGADHM CCS[C@@H]1CC[C@@H](N(C)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000821446474 606906102 /nfs/dbraw/zinc/90/61/02/606906102.db2.gz AUWGKBBAVRJSGS-VXGBXAGGSA-N -1 3 364.450 3.144 20 0 FGADHM CCc1nnc(N2CCC(c3ccccc3)CC2)c(-c2nnn[n-]2)c1CC ZINC000821520930 606910294 /nfs/dbraw/zinc/91/02/94/606910294.db2.gz CEAITFFDTKPGTH-UHFFFAOYSA-N -1 3 363.469 3.166 20 0 FGADHM CCc1nnc(N2CCC(c3ccccc3)CC2)c(-c2nn[n-]n2)c1CC ZINC000821520930 606910296 /nfs/dbraw/zinc/91/02/96/606910296.db2.gz CEAITFFDTKPGTH-UHFFFAOYSA-N -1 3 363.469 3.166 20 0 FGADHM Cc1csc(CCNc2ccc(C(F)(F)F)cc2-c2nnn[n-]2)n1 ZINC000822408739 606920269 /nfs/dbraw/zinc/92/02/69/606920269.db2.gz HQGUTIYKZTZJTI-UHFFFAOYSA-N -1 3 354.361 3.305 20 0 FGADHM Cc1csc(CCNc2ccc(C(F)(F)F)cc2-c2nn[n-]n2)n1 ZINC000822408739 606920270 /nfs/dbraw/zinc/92/02/70/606920270.db2.gz HQGUTIYKZTZJTI-UHFFFAOYSA-N -1 3 354.361 3.305 20 0 FGADHM CCc1nnc(Sc2c(F)cc(F)cc2F)c(-c2nnn[n-]2)c1CC ZINC000821548462 606923040 /nfs/dbraw/zinc/92/30/40/606923040.db2.gz MRLPJIHJZDINNR-UHFFFAOYSA-N -1 3 366.372 3.350 20 0 FGADHM CCc1nnc(Sc2c(F)cc(F)cc2F)c(-c2nn[n-]n2)c1CC ZINC000821548462 606923042 /nfs/dbraw/zinc/92/30/42/606923042.db2.gz MRLPJIHJZDINNR-UHFFFAOYSA-N -1 3 366.372 3.350 20 0 FGADHM Cc1ccc(C)c(N(C[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)C(C)C)c1 ZINC000822232181 606924975 /nfs/dbraw/zinc/92/49/75/606924975.db2.gz WAOCNYLHKFBQDP-LJQANCHMSA-N -1 3 351.454 3.432 20 0 FGADHM Cc1ccc(C)c(N(C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)C(C)C)c1 ZINC000822232181 606924978 /nfs/dbraw/zinc/92/49/78/606924978.db2.gz WAOCNYLHKFBQDP-LJQANCHMSA-N -1 3 351.454 3.432 20 0 FGADHM CCOc1ccc(OCC)c(NCc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000821427607 606925326 /nfs/dbraw/zinc/92/53/26/606925326.db2.gz WONWOAZHGKADGX-UHFFFAOYSA-N -1 3 357.389 3.415 20 0 FGADHM CCOc1ccc(OCC)c(NCc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000821427607 606925328 /nfs/dbraw/zinc/92/53/28/606925328.db2.gz WONWOAZHGKADGX-UHFFFAOYSA-N -1 3 357.389 3.415 20 0 FGADHM Fc1ccc(CNc2c(F)cccc2N2CCCC2)cc1-c1nnn[n-]1 ZINC000822772429 606929885 /nfs/dbraw/zinc/92/98/85/606929885.db2.gz YNOARQWYAAONTD-UHFFFAOYSA-N -1 3 356.380 3.357 20 0 FGADHM Fc1ccc(CNc2c(F)cccc2N2CCCC2)cc1-c1nn[n-]n1 ZINC000822772429 606929886 /nfs/dbraw/zinc/92/98/86/606929886.db2.gz YNOARQWYAAONTD-UHFFFAOYSA-N -1 3 356.380 3.357 20 0 FGADHM CC(C)c1ccc(N(C)C(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000820518846 606936318 /nfs/dbraw/zinc/93/63/18/606936318.db2.gz LXQPNAWDMDCBLK-AWEZNQCLSA-N -1 3 365.437 3.420 20 0 FGADHM CS/C=C/C(=O)N(Cc1ccccc1)c1ccccc1-c1nnn[n-]1 ZINC000821956344 606957671 /nfs/dbraw/zinc/95/76/71/606957671.db2.gz MNPLSZFFFVVQAC-VAWYXSNFSA-N -1 3 351.435 3.277 20 0 FGADHM CS/C=C/C(=O)N(Cc1ccccc1)c1ccccc1-c1nn[n-]n1 ZINC000821956344 606957673 /nfs/dbraw/zinc/95/76/73/606957673.db2.gz MNPLSZFFFVVQAC-VAWYXSNFSA-N -1 3 351.435 3.277 20 0 FGADHM CC(C)c1nc(C2(NCc3ccc(F)c(-c4nnn[n-]4)c3)CCCC2)no1 ZINC000820201895 606975985 /nfs/dbraw/zinc/97/59/85/606975985.db2.gz BXZONQIFCFDKHV-UHFFFAOYSA-N -1 3 371.420 3.071 20 0 FGADHM CC(C)c1nc(C2(NCc3ccc(F)c(-c4nn[n-]n4)c3)CCCC2)no1 ZINC000820201895 606975987 /nfs/dbraw/zinc/97/59/87/606975987.db2.gz BXZONQIFCFDKHV-UHFFFAOYSA-N -1 3 371.420 3.071 20 0 FGADHM CCS[C@@H](C)c1noc(CSCc2ccccc2-c2nnn[n-]2)n1 ZINC000821447789 606986881 /nfs/dbraw/zinc/98/68/81/606986881.db2.gz LAOIMZJFXHEXNS-JTQLQIEISA-N -1 3 362.484 3.497 20 0 FGADHM CCS[C@@H](C)c1noc(CSCc2ccccc2-c2nn[n-]n2)n1 ZINC000821447789 606986883 /nfs/dbraw/zinc/98/68/83/606986883.db2.gz LAOIMZJFXHEXNS-JTQLQIEISA-N -1 3 362.484 3.497 20 0 FGADHM Fc1ccc(OCc2noc(C=Cc3ccccc3-c3nnn[n-]3)n2)cc1 ZINC000822782684 606991348 /nfs/dbraw/zinc/99/13/48/606991348.db2.gz AVQHPONNSXYVRJ-YHYXMXQVSA-N -1 3 364.340 3.138 20 0 FGADHM Fc1ccc(OCc2noc(C=Cc3ccccc3-c3nn[n-]n3)n2)cc1 ZINC000822782684 606991349 /nfs/dbraw/zinc/99/13/49/606991349.db2.gz AVQHPONNSXYVRJ-YHYXMXQVSA-N -1 3 364.340 3.138 20 0 FGADHM Cc1nc(C(C)C)sc1C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822427279 606995779 /nfs/dbraw/zinc/99/57/79/606995779.db2.gz IDWAKSAOSGONKC-UHFFFAOYSA-N -1 3 361.402 3.251 20 0 FGADHM Cc1nc(C(C)C)sc1C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822427279 606995781 /nfs/dbraw/zinc/99/57/81/606995781.db2.gz IDWAKSAOSGONKC-UHFFFAOYSA-N -1 3 361.402 3.251 20 0 FGADHM CSc1ccsc1C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000821988755 606998473 /nfs/dbraw/zinc/99/84/73/606998473.db2.gz GRRYIULKHBKXQI-UHFFFAOYSA-N -1 3 350.400 3.146 20 0 FGADHM CSc1ccsc1C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821988755 606998474 /nfs/dbraw/zinc/99/84/74/606998474.db2.gz GRRYIULKHBKXQI-UHFFFAOYSA-N -1 3 350.400 3.146 20 0 FGADHM CC(=Cc1ccc(F)cc1)C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000819773982 607001460 /nfs/dbraw/zinc/00/14/60/607001460.db2.gz ZIGJXNJGIVNHPA-FLIBITNWSA-N -1 3 356.332 3.292 20 0 FGADHM CC(=Cc1ccc(F)cc1)C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000819773982 607001461 /nfs/dbraw/zinc/00/14/61/607001461.db2.gz ZIGJXNJGIVNHPA-FLIBITNWSA-N -1 3 356.332 3.292 20 0 FGADHM C[C@H]1CC(=O)c2c1c(F)ccc2OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820641563 607006676 /nfs/dbraw/zinc/00/66/76/607006676.db2.gz DHYFDXAPIIKWQW-VIFPVBQESA-N -1 3 356.332 3.414 20 0 FGADHM C[C@H]1CC(=O)c2c1c(F)ccc2OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820641563 607006677 /nfs/dbraw/zinc/00/66/77/607006677.db2.gz DHYFDXAPIIKWQW-VIFPVBQESA-N -1 3 356.332 3.414 20 0 FGADHM C[C@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000820557298 607016742 /nfs/dbraw/zinc/01/67/42/607016742.db2.gz XXENZIOGAALERF-WFGGJUAMSA-N -1 3 359.499 3.288 20 0 FGADHM C[C@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000820557298 607016743 /nfs/dbraw/zinc/01/67/43/607016743.db2.gz XXENZIOGAALERF-WFGGJUAMSA-N -1 3 359.499 3.288 20 0 FGADHM CCC1(C)CCN(C(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000820951302 607020368 /nfs/dbraw/zinc/02/03/68/607020368.db2.gz XXYAXMNRWBXSDJ-UHFFFAOYSA-N -1 3 357.458 3.063 20 0 FGADHM CCC1(C)CCN(C(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000820951302 607020370 /nfs/dbraw/zinc/02/03/70/607020370.db2.gz XXYAXMNRWBXSDJ-UHFFFAOYSA-N -1 3 357.458 3.063 20 0 FGADHM Cc1ccc(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1-c1ncco1 ZINC000822242822 607027857 /nfs/dbraw/zinc/02/78/57/607027857.db2.gz YUGMJGUGBKXIAT-CLFYSBASSA-N -1 3 372.388 3.482 20 0 FGADHM Cc1ccc(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1-c1ncco1 ZINC000822242822 607027858 /nfs/dbraw/zinc/02/78/58/607027858.db2.gz YUGMJGUGBKXIAT-CLFYSBASSA-N -1 3 372.388 3.482 20 0 FGADHM Cc1cc(C)c(NC(=O)COc2cc(-c3nnn[n-]3)ccc2C)c(C)c1 ZINC000822193975 607029057 /nfs/dbraw/zinc/02/90/57/607029057.db2.gz CEHWVDXLNZGMEN-UHFFFAOYSA-N -1 3 351.410 3.118 20 0 FGADHM Cc1cc(C)c(NC(=O)COc2cc(-c3nn[n-]n3)ccc2C)c(C)c1 ZINC000822193975 607029058 /nfs/dbraw/zinc/02/90/58/607029058.db2.gz CEHWVDXLNZGMEN-UHFFFAOYSA-N -1 3 351.410 3.118 20 0 FGADHM Fc1ccc(-c2nnn[n-]2)c(CSc2nc3cc(Cl)cnc3[nH]2)c1 ZINC000822758784 607038903 /nfs/dbraw/zinc/03/89/03/607038903.db2.gz YQDNJAZFKMAWGO-UHFFFAOYSA-N -1 3 361.793 3.223 20 0 FGADHM Fc1ccc(-c2nn[n-]n2)c(CSc2nc3cc(Cl)cnc3[nH]2)c1 ZINC000822758784 607038905 /nfs/dbraw/zinc/03/89/05/607038905.db2.gz YQDNJAZFKMAWGO-UHFFFAOYSA-N -1 3 361.793 3.223 20 0 FGADHM C[C@@H](NCc1ccc(-c2nnn[n-]2)o1)c1ccc(OCC2CC2)c(F)c1 ZINC000820433523 607053536 /nfs/dbraw/zinc/05/35/36/607053536.db2.gz YMQVHDSULGMYDE-LLVKDONJSA-N -1 3 357.389 3.238 20 0 FGADHM C[C@@H](NCc1ccc(-c2nn[n-]n2)o1)c1ccc(OCC2CC2)c(F)c1 ZINC000820433523 607053538 /nfs/dbraw/zinc/05/35/38/607053538.db2.gz YMQVHDSULGMYDE-LLVKDONJSA-N -1 3 357.389 3.238 20 0 FGADHM O=C(Cc1cccc2ccccc21)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000823111161 607074849 /nfs/dbraw/zinc/07/48/49/607074849.db2.gz CRWWREPTPBKODG-UHFFFAOYSA-N -1 3 362.364 3.445 20 0 FGADHM O=C(Cc1cccc2ccccc21)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000823111161 607074851 /nfs/dbraw/zinc/07/48/51/607074851.db2.gz CRWWREPTPBKODG-UHFFFAOYSA-N -1 3 362.364 3.445 20 0 FGADHM Cc1cccc(OCCC(=O)OCc2cc(F)ccc2-c2nnn[n-]2)c1C ZINC000822327813 607077076 /nfs/dbraw/zinc/07/70/76/607077076.db2.gz KOJUXTBJADRDCK-UHFFFAOYSA-N -1 3 370.384 3.135 20 0 FGADHM Cc1cccc(OCCC(=O)OCc2cc(F)ccc2-c2nn[n-]n2)c1C ZINC000822327813 607077078 /nfs/dbraw/zinc/07/70/78/607077078.db2.gz KOJUXTBJADRDCK-UHFFFAOYSA-N -1 3 370.384 3.135 20 0 FGADHM C[C@H](OC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1)c1cccs1 ZINC000820481523 607082526 /nfs/dbraw/zinc/08/25/26/607082526.db2.gz WYDYGOJFBRHUTN-NSHDSACASA-N -1 3 358.423 3.390 20 0 FGADHM C[C@H](OC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1)c1cccs1 ZINC000820481523 607082528 /nfs/dbraw/zinc/08/25/28/607082528.db2.gz WYDYGOJFBRHUTN-NSHDSACASA-N -1 3 358.423 3.390 20 0 FGADHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)[C@@H]1SCCc2ccccc21 ZINC000823413771 607086662 /nfs/dbraw/zinc/08/66/62/607086662.db2.gz MSFLKQHDRVOZLH-MRXNPFEDSA-N -1 3 370.409 3.080 20 0 FGADHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)[C@@H]1SCCc2ccccc21 ZINC000823413771 607086665 /nfs/dbraw/zinc/08/66/65/607086665.db2.gz MSFLKQHDRVOZLH-MRXNPFEDSA-N -1 3 370.409 3.080 20 0 FGADHM CC1(C)Cc2cc(NC(=O)C=Cc3ccccc3-c3nnn[n-]3)ccc2O1 ZINC000820606724 607091709 /nfs/dbraw/zinc/09/17/09/607091709.db2.gz AUKFQXAXGJRDKL-JXMROGBWSA-N -1 3 361.405 3.232 20 0 FGADHM CC1(C)Cc2cc(NC(=O)C=Cc3ccccc3-c3nn[n-]n3)ccc2O1 ZINC000820606724 607091710 /nfs/dbraw/zinc/09/17/10/607091710.db2.gz AUKFQXAXGJRDKL-JXMROGBWSA-N -1 3 361.405 3.232 20 0 FGADHM C[C@]1(c2ccccc2)CN(c2cc(-c3nnn[n-]3)c3ccccc3n2)CCO1 ZINC000820633854 607115350 /nfs/dbraw/zinc/11/53/50/607115350.db2.gz DXKJWPORANZQLO-OAQYLSRUSA-N -1 3 372.432 3.167 20 0 FGADHM C[C@]1(c2ccccc2)CN(c2cc(-c3nn[n-]n3)c3ccccc3n2)CCO1 ZINC000820633854 607115352 /nfs/dbraw/zinc/11/53/52/607115352.db2.gz DXKJWPORANZQLO-OAQYLSRUSA-N -1 3 372.432 3.167 20 0 FGADHM C[C@@]1(c2ccccc2)CN(c2ccc(Cl)cc2-c2nnn[n-]2)CCO1 ZINC000820636875 607116069 /nfs/dbraw/zinc/11/60/69/607116069.db2.gz VJFCSPAPDIDJSJ-SFHVURJKSA-N -1 3 355.829 3.272 20 0 FGADHM C[C@@]1(c2ccccc2)CN(c2ccc(Cl)cc2-c2nn[n-]n2)CCO1 ZINC000820636875 607116071 /nfs/dbraw/zinc/11/60/71/607116071.db2.gz VJFCSPAPDIDJSJ-SFHVURJKSA-N -1 3 355.829 3.272 20 0 FGADHM Clc1cc(-c2nn[n-]n2)ccc1NCc1nccn1Cc1ccccc1 ZINC000822563911 607124336 /nfs/dbraw/zinc/12/43/36/607124336.db2.gz PSPUVFKXADKQGI-UHFFFAOYSA-N -1 3 365.828 3.377 20 0 FGADHM Fc1cc(-c2nnn[n-]2)ccc1OCc1nc(-c2cccc(Cl)c2)no1 ZINC000822747962 607136714 /nfs/dbraw/zinc/13/67/14/607136714.db2.gz AEHMVIXALPWJFF-UHFFFAOYSA-N -1 3 372.747 3.288 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1OCc1nc(-c2cccc(Cl)c2)no1 ZINC000822747962 607136716 /nfs/dbraw/zinc/13/67/16/607136716.db2.gz AEHMVIXALPWJFF-UHFFFAOYSA-N -1 3 372.747 3.288 20 0 FGADHM O=C(Nc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1)C1=CCCC1 ZINC000823368325 607156063 /nfs/dbraw/zinc/15/60/63/607156063.db2.gz UOSSAKLGXMRLHJ-UHFFFAOYSA-N -1 3 361.405 3.495 20 0 FGADHM O=C(Nc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1)C1=CCCC1 ZINC000823368325 607156066 /nfs/dbraw/zinc/15/60/66/607156066.db2.gz UOSSAKLGXMRLHJ-UHFFFAOYSA-N -1 3 361.405 3.495 20 0 FGADHM O=C(COc1ccc(-c2nnn[n-]2)cc1F)C12CC3CC(CC(C3)C1)C2 ZINC000823037375 607171780 /nfs/dbraw/zinc/17/17/80/607171780.db2.gz WMLVBRACTRERPI-UHFFFAOYSA-N -1 3 356.401 3.170 20 0 FGADHM O=C(COc1ccc(-c2nn[n-]n2)cc1F)C12CC3CC(CC(C3)C1)C2 ZINC000823037375 607171781 /nfs/dbraw/zinc/17/17/81/607171781.db2.gz WMLVBRACTRERPI-UHFFFAOYSA-N -1 3 356.401 3.170 20 0 FGADHM OCC[C@H](Nc1ccc(C(F)(F)F)cc1-c1nnn[n-]1)c1cccs1 ZINC000823718509 607173971 /nfs/dbraw/zinc/17/39/71/607173971.db2.gz XKYGCSKJXMYLQQ-LBPRGKRZSA-N -1 3 369.372 3.483 20 0 FGADHM OCC[C@H](Nc1ccc(C(F)(F)F)cc1-c1nn[n-]n1)c1cccs1 ZINC000823718509 607173972 /nfs/dbraw/zinc/17/39/72/607173972.db2.gz XKYGCSKJXMYLQQ-LBPRGKRZSA-N -1 3 369.372 3.483 20 0 FGADHM Cc1ccccc1[C@@H](CO)Nc1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000822350736 607174106 /nfs/dbraw/zinc/17/41/06/607174106.db2.gz GMKVEOBNWJHFRS-OAHLLOKOSA-N -1 3 363.343 3.339 20 0 FGADHM Cc1ccccc1[C@@H](CO)Nc1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000822350736 607174107 /nfs/dbraw/zinc/17/41/07/607174107.db2.gz GMKVEOBNWJHFRS-OAHLLOKOSA-N -1 3 363.343 3.339 20 0 FGADHM OCC[C@@H](Nc1ccc(C(F)(F)F)cc1-c1nnn[n-]1)c1ccccc1 ZINC000823722032 607174587 /nfs/dbraw/zinc/17/45/87/607174587.db2.gz JXIWNIATQBFFKR-CQSZACIVSA-N -1 3 363.343 3.421 20 0 FGADHM OCC[C@@H](Nc1ccc(C(F)(F)F)cc1-c1nn[n-]n1)c1ccccc1 ZINC000823722032 607174588 /nfs/dbraw/zinc/17/45/88/607174588.db2.gz JXIWNIATQBFFKR-CQSZACIVSA-N -1 3 363.343 3.421 20 0 FGADHM CC(C)Oc1cccc(CC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000820178181 607188941 /nfs/dbraw/zinc/18/89/41/607188941.db2.gz JSEHPYFFEJJWDW-UHFFFAOYSA-N -1 3 371.828 3.489 20 0 FGADHM CC(C)Oc1cccc(CC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000820178181 607188942 /nfs/dbraw/zinc/18/89/42/607188942.db2.gz JSEHPYFFEJJWDW-UHFFFAOYSA-N -1 3 371.828 3.489 20 0 FGADHM Cc1cc2c(cc1C)O[C@@H](C(=O)Nc1ccc(-c3nnn[n-]3)cc1Cl)C2 ZINC000822213055 607190982 /nfs/dbraw/zinc/19/09/82/607190982.db2.gz SDWVGUZQKYXDOV-MRXNPFEDSA-N -1 3 369.812 3.079 20 0 FGADHM Cc1cc2c(cc1C)O[C@@H](C(=O)Nc1ccc(-c3nn[n-]n3)cc1Cl)C2 ZINC000822213055 607190983 /nfs/dbraw/zinc/19/09/83/607190983.db2.gz SDWVGUZQKYXDOV-MRXNPFEDSA-N -1 3 369.812 3.079 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N[C@@H]1CCc2c1cccc2F ZINC000823319336 607196243 /nfs/dbraw/zinc/19/62/43/607196243.db2.gz SKIMBLPCIKTNPD-CQSZACIVSA-N -1 3 372.791 3.468 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N[C@@H]1CCc2c1cccc2F ZINC000823319336 607196244 /nfs/dbraw/zinc/19/62/44/607196244.db2.gz SKIMBLPCIKTNPD-CQSZACIVSA-N -1 3 372.791 3.468 20 0 FGADHM C[C@@H](Cc1ccccc1F)NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820300348 607199788 /nfs/dbraw/zinc/19/97/88/607199788.db2.gz QCMGRJFUBAQLMI-JTQLQIEISA-N -1 3 374.807 3.412 20 0 FGADHM C[C@@H](Cc1ccccc1F)NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820300348 607199789 /nfs/dbraw/zinc/19/97/89/607199789.db2.gz QCMGRJFUBAQLMI-JTQLQIEISA-N -1 3 374.807 3.412 20 0 FGADHM O=C(NCCCNc1ccccc1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823191768 607202743 /nfs/dbraw/zinc/20/27/43/607202743.db2.gz OIAWWECPONIBJA-UHFFFAOYSA-N -1 3 371.832 3.144 20 0 FGADHM O=C(NCCCNc1ccccc1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823191768 607202744 /nfs/dbraw/zinc/20/27/44/607202744.db2.gz OIAWWECPONIBJA-UHFFFAOYSA-N -1 3 371.832 3.144 20 0 FGADHM Cc1cc([C@@H]2CCCN2C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)no1 ZINC000822199079 607203713 /nfs/dbraw/zinc/20/37/13/607203713.db2.gz VWWYSQYUNWQPAC-AWEZNQCLSA-N -1 3 373.804 3.186 20 0 FGADHM Cc1cc([C@@H]2CCCN2C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)no1 ZINC000822199079 607203714 /nfs/dbraw/zinc/20/37/14/607203714.db2.gz VWWYSQYUNWQPAC-AWEZNQCLSA-N -1 3 373.804 3.186 20 0 FGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H]1CC2CCC1CC2 ZINC000820116875 607214036 /nfs/dbraw/zinc/21/40/36/607214036.db2.gz QSGBUSFDZKFXHQ-JFUPDXTOSA-N -1 3 368.485 3.365 20 0 FGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1CC2CCC1CC2 ZINC000820116875 607214037 /nfs/dbraw/zinc/21/40/37/607214037.db2.gz QSGBUSFDZKFXHQ-JFUPDXTOSA-N -1 3 368.485 3.365 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)C1(c2ccc(F)cc2)CC1 ZINC000823313444 607241059 /nfs/dbraw/zinc/24/10/59/607241059.db2.gz AYIWVELNGAAHHE-UHFFFAOYSA-N -1 3 357.776 3.330 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)C1(c2ccc(F)cc2)CC1 ZINC000823313444 607241060 /nfs/dbraw/zinc/24/10/60/607241060.db2.gz AYIWVELNGAAHHE-UHFFFAOYSA-N -1 3 357.776 3.330 20 0 FGADHM O=C(COc1cccc2ccccc21)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000823050353 607245609 /nfs/dbraw/zinc/24/56/09/607245609.db2.gz WEYWOHXVJQEECI-UHFFFAOYSA-N -1 3 364.336 3.143 20 0 FGADHM O=C(COc1cccc2ccccc21)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000823050353 607245610 /nfs/dbraw/zinc/24/56/10/607245610.db2.gz WEYWOHXVJQEECI-UHFFFAOYSA-N -1 3 364.336 3.143 20 0 FGADHM COc1ccccc1[C@@H](C)CC(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000821883014 607246366 /nfs/dbraw/zinc/24/63/66/607246366.db2.gz QGHRFBLTFFPMLD-NSHDSACASA-N -1 3 356.357 3.114 20 0 FGADHM COc1ccccc1[C@@H](C)CC(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000821883014 607246367 /nfs/dbraw/zinc/24/63/67/607246367.db2.gz QGHRFBLTFFPMLD-NSHDSACASA-N -1 3 356.357 3.114 20 0 FGADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)[C@@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000823450378 607249228 /nfs/dbraw/zinc/24/92/28/607249228.db2.gz PPOKQWWILQYQTI-CHWSQXEVSA-N -1 3 358.760 3.368 20 0 FGADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)[C@@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000823450378 607249229 /nfs/dbraw/zinc/24/92/29/607249229.db2.gz PPOKQWWILQYQTI-CHWSQXEVSA-N -1 3 358.760 3.368 20 0 FGADHM CCc1ccc(NC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)cc1F ZINC000825711453 607774564 /nfs/dbraw/zinc/77/45/64/607774564.db2.gz BLGZLWCSZPUFQQ-UHFFFAOYSA-N -1 3 369.400 3.364 20 0 FGADHM CCc1ccc(NC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000825711453 607774565 /nfs/dbraw/zinc/77/45/65/607774565.db2.gz BLGZLWCSZPUFQQ-UHFFFAOYSA-N -1 3 369.400 3.364 20 0 FGADHM COc1cccc(OCCSCc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000826217415 607784887 /nfs/dbraw/zinc/78/48/87/607784887.db2.gz LIJGULJKRNKYQW-UHFFFAOYSA-N -1 3 360.414 3.327 20 0 FGADHM COc1cccc(OCCSCc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000826217415 607784888 /nfs/dbraw/zinc/78/48/88/607784888.db2.gz LIJGULJKRNKYQW-UHFFFAOYSA-N -1 3 360.414 3.327 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cc(Cl)ccc1C ZINC000825625724 607792893 /nfs/dbraw/zinc/79/28/93/607792893.db2.gz CJCUIGLJLWAEAK-UHFFFAOYSA-N -1 3 357.801 3.480 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(Cl)ccc1C ZINC000825625724 607792894 /nfs/dbraw/zinc/79/28/94/607792894.db2.gz CJCUIGLJLWAEAK-UHFFFAOYSA-N -1 3 357.801 3.480 20 0 FGADHM CC[C@@H](Oc1cccc(C)c1)C(=O)N(CC)c1ccc(-c2nnn[n-]2)cc1 ZINC000825154860 607797890 /nfs/dbraw/zinc/79/78/90/607797890.db2.gz VATKKIFAQGTXPM-GOSISDBHSA-N -1 3 365.437 3.386 20 0 FGADHM CC[C@@H](Oc1cccc(C)c1)C(=O)N(CC)c1ccc(-c2nn[n-]n2)cc1 ZINC000825154860 607797891 /nfs/dbraw/zinc/79/78/91/607797891.db2.gz VATKKIFAQGTXPM-GOSISDBHSA-N -1 3 365.437 3.386 20 0 FGADHM CCN(C(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367073 607798929 /nfs/dbraw/zinc/79/89/29/607798929.db2.gz IVCMEIXOQMWEGS-HUUCEWRRSA-N -1 3 369.375 3.302 20 0 FGADHM CCN(C(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367073 607798930 /nfs/dbraw/zinc/79/89/30/607798930.db2.gz IVCMEIXOQMWEGS-HUUCEWRRSA-N -1 3 369.375 3.302 20 0 FGADHM CCOc1ccc(CCC(=O)N(CC)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000825638117 607800336 /nfs/dbraw/zinc/80/03/36/607800336.db2.gz FXXWTCMZHXXJAD-UHFFFAOYSA-N -1 3 365.437 3.251 20 0 FGADHM CCOc1ccc(CCC(=O)N(CC)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825638117 607800337 /nfs/dbraw/zinc/80/03/37/607800337.db2.gz FXXWTCMZHXXJAD-UHFFFAOYSA-N -1 3 365.437 3.251 20 0 FGADHM CCCC(CCC)C(=O)N1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000825242067 607804643 /nfs/dbraw/zinc/80/46/43/607804643.db2.gz HPVUNLOVFRLJQY-UHFFFAOYSA-N -1 3 370.501 3.122 20 0 FGADHM CCCC(CCC)C(=O)N1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000825242067 607804644 /nfs/dbraw/zinc/80/46/44/607804644.db2.gz HPVUNLOVFRLJQY-UHFFFAOYSA-N -1 3 370.501 3.122 20 0 FGADHM C[C@@H](Cc1ccccc1Cl)C(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC000824457250 607830287 /nfs/dbraw/zinc/83/02/87/607830287.db2.gz IEEAMNYSFAPLPY-LBPRGKRZSA-N -1 3 355.829 3.362 20 0 FGADHM C[C@@H](Cc1ccccc1Cl)C(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC000824457250 607830288 /nfs/dbraw/zinc/83/02/88/607830288.db2.gz IEEAMNYSFAPLPY-LBPRGKRZSA-N -1 3 355.829 3.362 20 0 FGADHM CCCn1cc(NC(=O)c2c(Cl)cc(-c3nnn[n-]3)cc2Cl)cn1 ZINC000825361136 607834860 /nfs/dbraw/zinc/83/48/60/607834860.db2.gz CKQAZDWYNZEPPW-UHFFFAOYSA-N -1 3 366.212 3.032 20 0 FGADHM CCCn1cc(NC(=O)c2c(Cl)cc(-c3nn[n-]n3)cc2Cl)cn1 ZINC000825361136 607834861 /nfs/dbraw/zinc/83/48/61/607834861.db2.gz CKQAZDWYNZEPPW-UHFFFAOYSA-N -1 3 366.212 3.032 20 0 FGADHM CC(C)(Oc1ccc(-c2nn[nH]n2)cc1)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000824172977 607835447 /nfs/dbraw/zinc/83/54/47/607835447.db2.gz SEVKQGDXDQJLFD-UHFFFAOYSA-N -1 3 373.800 3.022 20 0 FGADHM O[C@@H](COc1cc(Cl)ccc1-c1nnn[n-]1)c1cccc(Cl)c1 ZINC000826503643 607878577 /nfs/dbraw/zinc/87/85/77/607878577.db2.gz BUTIAASRDOEFIL-ZDUSSCGKSA-N -1 3 351.193 3.286 20 0 FGADHM O[C@@H](COc1cc(Cl)ccc1-c1nn[n-]n1)c1cccc(Cl)c1 ZINC000826503643 607878578 /nfs/dbraw/zinc/87/85/78/607878578.db2.gz BUTIAASRDOEFIL-ZDUSSCGKSA-N -1 3 351.193 3.286 20 0 FGADHM Cc1ccnc(COc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)n1 ZINC000826308933 607890436 /nfs/dbraw/zinc/89/04/36/607890436.db2.gz WNPBSIPGRYXJQL-UHFFFAOYSA-N -1 3 360.377 3.336 20 0 FGADHM Cc1ccnc(COc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)n1 ZINC000826308933 607890437 /nfs/dbraw/zinc/89/04/37/607890437.db2.gz WNPBSIPGRYXJQL-UHFFFAOYSA-N -1 3 360.377 3.336 20 0 FGADHM C[C@H](Cc1cccc(Cl)c1)C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000824457344 607926938 /nfs/dbraw/zinc/92/69/38/607926938.db2.gz KENKRMBTIXHGJU-GFCCVEGCSA-N -1 3 355.829 3.362 20 0 FGADHM C[C@H](Cc1cccc(Cl)c1)C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000824457344 607926939 /nfs/dbraw/zinc/92/69/39/607926939.db2.gz KENKRMBTIXHGJU-GFCCVEGCSA-N -1 3 355.829 3.362 20 0 FGADHM COCCN(C(=O)[C@H]1CCCC(C)(C)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826157427 607927318 /nfs/dbraw/zinc/92/73/18/607927318.db2.gz VALVVTGTNNDOIO-HNNXBMFYSA-N -1 3 357.458 3.063 20 0 FGADHM COCCN(C(=O)[C@H]1CCCC(C)(C)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826157427 607927319 /nfs/dbraw/zinc/92/73/19/607927319.db2.gz VALVVTGTNNDOIO-HNNXBMFYSA-N -1 3 357.458 3.063 20 0 FGADHM COc1cc(C)nc(CSc2nc3c(c(C)c2-c2nnn[n-]2)CCC3)c1 ZINC000826179019 607931705 /nfs/dbraw/zinc/93/17/05/607931705.db2.gz VGTKRIBDMFMRGZ-UHFFFAOYSA-N -1 3 368.466 3.063 20 0 FGADHM COc1cc(C)nc(CSc2nc3c(c(C)c2-c2nn[n-]n2)CCC3)c1 ZINC000826179019 607931706 /nfs/dbraw/zinc/93/17/06/607931706.db2.gz VGTKRIBDMFMRGZ-UHFFFAOYSA-N -1 3 368.466 3.063 20 0 FGADHM CS[C@@H](C)CC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000826224870 607932603 /nfs/dbraw/zinc/93/26/03/607932603.db2.gz NTZCJHSBTHMIGT-NSHDSACASA-N -1 3 370.438 3.134 20 0 FGADHM O=C([C@H]1C[C@H]1c1cccc(Cl)c1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826398870 607946646 /nfs/dbraw/zinc/94/66/46/607946646.db2.gz HUJFDDAPOXQMNY-HOTGVXAUSA-N -1 3 365.824 3.213 20 0 FGADHM O=C([C@H]1C[C@H]1c1cccc(Cl)c1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826398870 607946647 /nfs/dbraw/zinc/94/66/47/607946647.db2.gz HUJFDDAPOXQMNY-HOTGVXAUSA-N -1 3 365.824 3.213 20 0 FGADHM Cc1nc2cc(F)ccc2cc1C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826328131 607951538 /nfs/dbraw/zinc/95/15/38/607951538.db2.gz HCEDWTPKGWIUAD-UHFFFAOYSA-N -1 3 374.379 3.065 20 0 FGADHM Cc1nc2cc(F)ccc2cc1C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826328131 607951539 /nfs/dbraw/zinc/95/15/39/607951539.db2.gz HCEDWTPKGWIUAD-UHFFFAOYSA-N -1 3 374.379 3.065 20 0 FGADHM CCSc1ccc(CC(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)cc1 ZINC000825674477 607951612 /nfs/dbraw/zinc/95/16/12/607951612.db2.gz MDVPXYZPXIBXQB-UHFFFAOYSA-N -1 3 365.462 3.111 20 0 FGADHM CCSc1ccc(CC(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)cc1 ZINC000825674477 607951613 /nfs/dbraw/zinc/95/16/13/607951613.db2.gz MDVPXYZPXIBXQB-UHFFFAOYSA-N -1 3 365.462 3.111 20 0 FGADHM O=C(Cc1ccc2ccccc2c1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826423120 607952734 /nfs/dbraw/zinc/95/27/34/607952734.db2.gz ZHMBCLBQAKZBMW-UHFFFAOYSA-N -1 3 355.401 3.152 20 0 FGADHM O=C(Cc1ccc2ccccc2c1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826423120 607952735 /nfs/dbraw/zinc/95/27/35/607952735.db2.gz ZHMBCLBQAKZBMW-UHFFFAOYSA-N -1 3 355.401 3.152 20 0 FGADHM O=C([C@H]1CCSc2ccccc21)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826399184 607954360 /nfs/dbraw/zinc/95/43/60/607954360.db2.gz OVAQNSUAEZWXOT-HNNXBMFYSA-N -1 3 363.446 3.035 20 0 FGADHM O=C([C@H]1CCSc2ccccc21)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826399184 607954361 /nfs/dbraw/zinc/95/43/61/607954361.db2.gz OVAQNSUAEZWXOT-HNNXBMFYSA-N -1 3 363.446 3.035 20 0 FGADHM OC[C@H](Nc1ccc(F)cc1-c1nnn[n-]1)c1ccc(C(F)(F)F)cc1 ZINC000826508205 607969202 /nfs/dbraw/zinc/96/92/02/607969202.db2.gz HUDQBOUZSUWWPB-AWEZNQCLSA-N -1 3 367.306 3.170 20 0 FGADHM OC[C@H](Nc1ccc(F)cc1-c1nn[n-]n1)c1ccc(C(F)(F)F)cc1 ZINC000826508205 607969203 /nfs/dbraw/zinc/96/92/03/607969203.db2.gz HUDQBOUZSUWWPB-AWEZNQCLSA-N -1 3 367.306 3.170 20 0 FGADHM c1ccc2c(c1)[nH]c1c2CCN(c2c(-c3nnn[n-]3)cnc3ccccc32)C1 ZINC000826523713 607969457 /nfs/dbraw/zinc/96/94/57/607969457.db2.gz VGOARIMIAUKPLZ-UHFFFAOYSA-N -1 3 367.416 3.459 20 0 FGADHM c1ccc2c(c1)[nH]c1c2CCN(c2c(-c3nn[n-]n3)cnc3ccccc32)C1 ZINC000826523713 607969458 /nfs/dbraw/zinc/96/94/58/607969458.db2.gz VGOARIMIAUKPLZ-UHFFFAOYSA-N -1 3 367.416 3.459 20 0 FGADHM CC(=Cc1cccc(Cl)c1)C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000759028466 607970288 /nfs/dbraw/zinc/97/02/88/607970288.db2.gz PQNSQIVBTDYHMD-XFXZXTDPSA-N -1 3 353.813 3.240 20 0 FGADHM CC(=Cc1cccc(Cl)c1)C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000759028466 607970289 /nfs/dbraw/zinc/97/02/89/607970289.db2.gz PQNSQIVBTDYHMD-XFXZXTDPSA-N -1 3 353.813 3.240 20 0 FGADHM COc1ccc(C[C@@H](C)C(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826192023 607990100 /nfs/dbraw/zinc/99/01/00/607990100.db2.gz XGNLSHIDAIGJSZ-ZIAGYGMSSA-N -1 3 366.421 3.358 20 0 FGADHM COc1ccc(C[C@@H](C)C(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826192023 607990101 /nfs/dbraw/zinc/99/01/01/607990101.db2.gz XGNLSHIDAIGJSZ-ZIAGYGMSSA-N -1 3 366.421 3.358 20 0 FGADHM C[C@@H](NC(=O)N1CC=C(C(C)(C)C)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000824492041 607993202 /nfs/dbraw/zinc/99/32/02/607993202.db2.gz WZIWGGNXZGHOLI-CYBMUJFWSA-N -1 3 354.458 3.316 20 0 FGADHM C[C@@H](NC(=O)N1CC=C(C(C)(C)C)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000824492041 607993203 /nfs/dbraw/zinc/99/32/03/607993203.db2.gz WZIWGGNXZGHOLI-CYBMUJFWSA-N -1 3 354.458 3.316 20 0 FGADHM c1ccc(COc2ccnc(Sc3cccc(-c4nnn[n-]4)c3)n2)cc1 ZINC000826521931 608016126 /nfs/dbraw/zinc/01/61/26/608016126.db2.gz DJWFCLJXEADSIN-UHFFFAOYSA-N -1 3 362.418 3.387 20 0 FGADHM c1ccc(COc2ccnc(Sc3cccc(-c4nn[n-]n4)c3)n2)cc1 ZINC000826521931 608016127 /nfs/dbraw/zinc/01/61/27/608016127.db2.gz DJWFCLJXEADSIN-UHFFFAOYSA-N -1 3 362.418 3.387 20 0 FGADHM Cc1c2c(nc(SCC(=O)C3CCCCC3)c1-c1nnn[n-]1)CCC2 ZINC000826242686 608022544 /nfs/dbraw/zinc/02/25/44/608022544.db2.gz AWSQSAXOTMHBMW-UHFFFAOYSA-N -1 3 357.483 3.300 20 0 FGADHM Cc1c2c(nc(SCC(=O)C3CCCCC3)c1-c1nn[n-]n1)CCC2 ZINC000826242686 608022545 /nfs/dbraw/zinc/02/25/45/608022545.db2.gz AWSQSAXOTMHBMW-UHFFFAOYSA-N -1 3 357.483 3.300 20 0 FGADHM CCN(C(=O)c1scnc1C1CC1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825390961 608025219 /nfs/dbraw/zinc/02/52/19/608025219.db2.gz QTKWSYRJLQSLLL-LLVKDONJSA-N -1 3 368.466 3.424 20 0 FGADHM CCN(C(=O)c1scnc1C1CC1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825390961 608025220 /nfs/dbraw/zinc/02/52/20/608025220.db2.gz QTKWSYRJLQSLLL-LLVKDONJSA-N -1 3 368.466 3.424 20 0 FGADHM CC(C)[C@@H]1CCc2ccccc2N1C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000824226535 608029433 /nfs/dbraw/zinc/02/94/33/608029433.db2.gz ZZKXZNOKWGGODF-SFHVURJKSA-N -1 3 361.449 3.413 20 0 FGADHM CC(C)[C@@H]1CCc2ccccc2N1C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000824226535 608029434 /nfs/dbraw/zinc/02/94/34/608029434.db2.gz ZZKXZNOKWGGODF-SFHVURJKSA-N -1 3 361.449 3.413 20 0 FGADHM C[C@@H](OC(=O)c1cnc([C@@H]2CCCO2)s1)c1cccc(-c2nnn[n-]2)c1 ZINC000824723573 608039369 /nfs/dbraw/zinc/03/93/69/608039369.db2.gz SCFCNCHHANXJDR-MFKMUULPSA-N -1 3 371.422 3.093 20 0 FGADHM C[C@@H](OC(=O)c1cnc([C@@H]2CCCO2)s1)c1cccc(-c2nn[n-]n2)c1 ZINC000824723573 608039370 /nfs/dbraw/zinc/03/93/70/608039370.db2.gz SCFCNCHHANXJDR-MFKMUULPSA-N -1 3 371.422 3.093 20 0 FGADHM Cc1cc2c(ncnc2SCCOc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000826273320 608055910 /nfs/dbraw/zinc/05/59/10/608055910.db2.gz YPHKVKWWWVVXAQ-UHFFFAOYSA-N -1 3 370.463 3.351 20 0 FGADHM Nc1c(Cl)cc(C(=O)OCc2cccc(-c3nnn[n-]3)c2)cc1Cl ZINC000826395755 608058402 /nfs/dbraw/zinc/05/84/02/608058402.db2.gz RLNRBRNULWAQKS-UHFFFAOYSA-N -1 3 364.192 3.113 20 0 FGADHM Nc1c(Cl)cc(C(=O)OCc2cccc(-c3nn[n-]n3)c2)cc1Cl ZINC000826395755 608058403 /nfs/dbraw/zinc/05/84/03/608058403.db2.gz RLNRBRNULWAQKS-UHFFFAOYSA-N -1 3 364.192 3.113 20 0 FGADHM CSc1ccc(CN2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)cc1 ZINC000826231116 608066608 /nfs/dbraw/zinc/06/66/08/608066608.db2.gz XUIOVHZOKTWJLS-GOSISDBHSA-N -1 3 367.478 3.162 20 0 FGADHM CC1(CC(=O)N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)CCCCC1 ZINC000824817632 608084607 /nfs/dbraw/zinc/08/46/07/608084607.db2.gz PVFJGBFANFIDGF-QGZVFWFLSA-N -1 3 369.469 3.127 20 0 FGADHM CC1(CC(=O)N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)CCCCC1 ZINC000824817632 608084608 /nfs/dbraw/zinc/08/46/08/608084608.db2.gz PVFJGBFANFIDGF-QGZVFWFLSA-N -1 3 369.469 3.127 20 0 FGADHM O[C@@H](CNc1cc(Cl)ccc1-c1nnn[n-]1)c1ccc(Cl)c(F)c1 ZINC000826503320 608099942 /nfs/dbraw/zinc/09/99/42/608099942.db2.gz VIXRHOWFXDQPHK-AWEZNQCLSA-N -1 3 368.199 3.458 20 0 FGADHM O[C@@H](CNc1cc(Cl)ccc1-c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000826503320 608099943 /nfs/dbraw/zinc/09/99/43/608099943.db2.gz VIXRHOWFXDQPHK-AWEZNQCLSA-N -1 3 368.199 3.458 20 0 FGADHM CCSc1cccc(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000825674718 608114834 /nfs/dbraw/zinc/11/48/34/608114834.db2.gz RDEJTAYBJOHAJQ-LBPRGKRZSA-N -1 3 353.451 3.470 20 0 FGADHM CCSc1cccc(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000825674718 608114835 /nfs/dbraw/zinc/11/48/35/608114835.db2.gz RDEJTAYBJOHAJQ-LBPRGKRZSA-N -1 3 353.451 3.470 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)c1cc(F)c(Cl)cc1F ZINC000826174324 608122633 /nfs/dbraw/zinc/12/26/33/608122633.db2.gz RSVNUYSLELEZSB-UHFFFAOYSA-N -1 3 366.711 3.026 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)c1cc(F)c(Cl)cc1F ZINC000826174324 608122634 /nfs/dbraw/zinc/12/26/34/608122634.db2.gz RSVNUYSLELEZSB-UHFFFAOYSA-N -1 3 366.711 3.026 20 0 FGADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)O[C@@H]1CCOc2c(Cl)cccc21 ZINC000826422170 608128861 /nfs/dbraw/zinc/12/88/61/608128861.db2.gz OQJPHCUZBGMARB-OAHLLOKOSA-N -1 3 370.796 3.130 20 0 FGADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)O[C@@H]1CCOc2c(Cl)cccc21 ZINC000826422170 608128862 /nfs/dbraw/zinc/12/88/62/608128862.db2.gz OQJPHCUZBGMARB-OAHLLOKOSA-N -1 3 370.796 3.130 20 0 FGADHM C[C@](O)(c1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1)C(F)(F)F ZINC000824679978 608153524 /nfs/dbraw/zinc/15/35/24/608153524.db2.gz XLEKGCYVFHYKOM-INIZCTEOSA-N -1 3 364.327 3.216 20 0 FGADHM C[C@](O)(c1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1)C(F)(F)F ZINC000824679978 608153525 /nfs/dbraw/zinc/15/35/25/608153525.db2.gz XLEKGCYVFHYKOM-INIZCTEOSA-N -1 3 364.327 3.216 20 0 FGADHM Cc1cnc([C@@H](C)OC(=O)c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)o1 ZINC000826318043 608172301 /nfs/dbraw/zinc/17/23/01/608172301.db2.gz SZDUIXIUDZEAKW-MRVPVSSYSA-N -1 3 367.287 3.100 20 0 FGADHM Cc1cnc([C@@H](C)OC(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)o1 ZINC000826318043 608172303 /nfs/dbraw/zinc/17/23/03/608172303.db2.gz SZDUIXIUDZEAKW-MRVPVSSYSA-N -1 3 367.287 3.100 20 0 FGADHM Cc1cc([C@@H]2CN(Cc3ccc(-c4nnn[n-]4)cc3F)CCO2)ccc1F ZINC000826266728 608172520 /nfs/dbraw/zinc/17/25/20/608172520.db2.gz ZGNFCWRWKAWBNE-SFHVURJKSA-N -1 3 371.391 3.027 20 0 FGADHM Cc1cc([C@@H]2CN(Cc3ccc(-c4nn[n-]n4)cc3F)CCO2)ccc1F ZINC000826266728 608172521 /nfs/dbraw/zinc/17/25/21/608172521.db2.gz ZGNFCWRWKAWBNE-SFHVURJKSA-N -1 3 371.391 3.027 20 0 FGADHM CCCCSCCC(=O)Nc1nc2cc(-c3nnn[n-]3)ccc2n1CC ZINC000825296570 608173578 /nfs/dbraw/zinc/17/35/78/608173578.db2.gz OSSFQZNLRHBZBK-UHFFFAOYSA-N -1 3 373.486 3.098 20 0 FGADHM CCCCSCCC(=O)Nc1nc2cc(-c3nn[n-]n3)ccc2n1CC ZINC000825296570 608173579 /nfs/dbraw/zinc/17/35/79/608173579.db2.gz OSSFQZNLRHBZBK-UHFFFAOYSA-N -1 3 373.486 3.098 20 0 FGADHM CCCC(=CC(=O)O[C@@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1)CCC ZINC000825219422 608178583 /nfs/dbraw/zinc/17/85/83/608178583.db2.gz JLBGCQRFBCFDEV-ZDUSSCGKSA-N -1 3 371.441 3.264 20 0 FGADHM CCCC(=CC(=O)O[C@@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1)CCC ZINC000825219422 608178585 /nfs/dbraw/zinc/17/85/85/608178585.db2.gz JLBGCQRFBCFDEV-ZDUSSCGKSA-N -1 3 371.441 3.264 20 0 FGADHM Cc1ncc(C(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)c(C(C)C)n1 ZINC000826329585 608185022 /nfs/dbraw/zinc/18/50/22/608185022.db2.gz JTJUVJYSEOTWCL-LLVKDONJSA-N -1 3 352.398 3.007 20 0 FGADHM Cc1ncc(C(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)c(C(C)C)n1 ZINC000826329585 608185024 /nfs/dbraw/zinc/18/50/24/608185024.db2.gz JTJUVJYSEOTWCL-LLVKDONJSA-N -1 3 352.398 3.007 20 0 FGADHM C[C@H](OC(=O)C=Cc1ccnc(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824714521 608196379 /nfs/dbraw/zinc/19/63/79/608196379.db2.gz NSWKKLWURZCLER-GZTOBOFZSA-N -1 3 355.785 3.233 20 0 FGADHM C[C@H](OC(=O)C=Cc1ccnc(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824714521 608196380 /nfs/dbraw/zinc/19/63/80/608196380.db2.gz NSWKKLWURZCLER-GZTOBOFZSA-N -1 3 355.785 3.233 20 0 FGADHM CC(C)(C)[C@@H](O)C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000824072704 608197940 /nfs/dbraw/zinc/19/79/40/608197940.db2.gz YHULVKPLTULQED-INIZCTEOSA-N -1 3 367.409 3.005 20 0 FGADHM CC(C)(C)[C@@H](O)C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000824072704 608197942 /nfs/dbraw/zinc/19/79/42/608197942.db2.gz YHULVKPLTULQED-INIZCTEOSA-N -1 3 367.409 3.005 20 0 FGADHM O[C@@H](COc1cc(Cl)ccc1-c1nnn[n-]1)c1ccc(Cl)cc1 ZINC000826510956 608221354 /nfs/dbraw/zinc/22/13/54/608221354.db2.gz UFHGBCSKPPIUMS-ZDUSSCGKSA-N -1 3 351.193 3.286 20 0 FGADHM O[C@@H](COc1cc(Cl)ccc1-c1nn[n-]n1)c1ccc(Cl)cc1 ZINC000826510956 608221356 /nfs/dbraw/zinc/22/13/56/608221356.db2.gz UFHGBCSKPPIUMS-ZDUSSCGKSA-N -1 3 351.193 3.286 20 0 FGADHM Fc1cccc(CCNc2ccc3cc(-c4nnn[n-]4)ccc3n2)c1F ZINC000826376987 608228844 /nfs/dbraw/zinc/22/88/44/608228844.db2.gz ZUHWGNOJWMEJRC-UHFFFAOYSA-N -1 3 352.348 3.348 20 0 FGADHM Fc1cccc(CCNc2ccc3cc(-c4nn[n-]n4)ccc3n2)c1F ZINC000826376987 608228846 /nfs/dbraw/zinc/22/88/46/608228846.db2.gz ZUHWGNOJWMEJRC-UHFFFAOYSA-N -1 3 352.348 3.348 20 0 FGADHM C[C@@H](C[C@@H](O)c1cccs1)Nc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000824392490 608234589 /nfs/dbraw/zinc/23/45/89/608234589.db2.gz OOYMOIVSUAFXMC-XHDPSFHLSA-N -1 3 366.450 3.401 20 0 FGADHM C[C@@H](C[C@@H](O)c1cccs1)Nc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000824392490 608234591 /nfs/dbraw/zinc/23/45/91/608234591.db2.gz OOYMOIVSUAFXMC-XHDPSFHLSA-N -1 3 366.450 3.401 20 0 FGADHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(N[C@@H]3CCO[C@H](C(C)C)C3)c2c1 ZINC000826263948 608243217 /nfs/dbraw/zinc/24/32/17/608243217.db2.gz XDJODAGEBNYADN-PBHICJAKSA-N -1 3 366.469 3.069 20 0 FGADHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(N[C@@H]3CCO[C@H](C(C)C)C3)c2c1 ZINC000826263948 608243218 /nfs/dbraw/zinc/24/32/18/608243218.db2.gz XDJODAGEBNYADN-PBHICJAKSA-N -1 3 366.469 3.069 20 0 FGADHM CC[C@H]1CC[C@H](C)N1C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000825192317 608245643 /nfs/dbraw/zinc/24/56/43/608245643.db2.gz GHZPWRKRTIQNOM-HOCLYGCPSA-N -1 3 357.458 3.205 20 0 FGADHM CC[C@H]1CC[C@H](C)N1C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000825192317 608245645 /nfs/dbraw/zinc/24/56/45/608245645.db2.gz GHZPWRKRTIQNOM-HOCLYGCPSA-N -1 3 357.458 3.205 20 0 FGADHM O=C(Nc1sccc1-c1nnn[n-]1)c1cccc([C@@H]2CCCOC2)c1 ZINC000826461422 608266086 /nfs/dbraw/zinc/26/60/86/608266086.db2.gz UKQFMGSGTLQTKE-CYBMUJFWSA-N -1 3 355.423 3.075 20 0 FGADHM O=C(Nc1sccc1-c1nn[n-]n1)c1cccc([C@@H]2CCCOC2)c1 ZINC000826461422 608266088 /nfs/dbraw/zinc/26/60/88/608266088.db2.gz UKQFMGSGTLQTKE-CYBMUJFWSA-N -1 3 355.423 3.075 20 0 FGADHM C[C@@H](NC(=O)N[C@@H](C)c1cccc(F)c1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000824492016 608267995 /nfs/dbraw/zinc/26/79/95/608267995.db2.gz WOEQOIDIAYJGDK-MNOVXSKESA-N -1 3 372.379 3.266 20 0 FGADHM C[C@@H](NC(=O)N[C@@H](C)c1cccc(F)c1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000824492016 608267996 /nfs/dbraw/zinc/26/79/96/608267996.db2.gz WOEQOIDIAYJGDK-MNOVXSKESA-N -1 3 372.379 3.266 20 0 FGADHM C[C@@H](NC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)c1cccc(F)c1F ZINC000824492020 608268622 /nfs/dbraw/zinc/26/86/22/608268622.db2.gz WOEQOIDIAYJGDK-WDEREUQCSA-N -1 3 372.379 3.266 20 0 FGADHM C[C@@H](NC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)c1cccc(F)c1F ZINC000824492020 608268625 /nfs/dbraw/zinc/26/86/25/608268625.db2.gz WOEQOIDIAYJGDK-WDEREUQCSA-N -1 3 372.379 3.266 20 0 FGADHM CC[C@@H]1CC[C@@H](C)N1C(=O)NCCSCc1ccccc1-c1nnn[n-]1 ZINC000825193564 608269559 /nfs/dbraw/zinc/26/95/59/608269559.db2.gz MJBIAMCWIHGCGD-UKRRQHHQSA-N -1 3 374.514 3.072 20 0 FGADHM CC[C@@H]1CC[C@@H](C)N1C(=O)NCCSCc1ccccc1-c1nn[n-]n1 ZINC000825193564 608269560 /nfs/dbraw/zinc/26/95/60/608269560.db2.gz MJBIAMCWIHGCGD-UKRRQHHQSA-N -1 3 374.514 3.072 20 0 FGADHM CN(C(=O)c1cccc([C@H]2CCCOC2)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000825829314 608280333 /nfs/dbraw/zinc/28/03/33/608280333.db2.gz BTYNWWUVUSQYIO-KRWDZBQOSA-N -1 3 363.421 3.037 20 0 FGADHM CN(C(=O)c1cccc([C@H]2CCCOC2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000825829314 608280334 /nfs/dbraw/zinc/28/03/34/608280334.db2.gz BTYNWWUVUSQYIO-KRWDZBQOSA-N -1 3 363.421 3.037 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N[C@@H]1CCCc2cc(F)ccc21 ZINC000826454368 608284369 /nfs/dbraw/zinc/28/43/69/608284369.db2.gz TZEOLMFKPNUPRT-MRXNPFEDSA-N -1 3 370.363 3.344 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N[C@@H]1CCCc2cc(F)ccc21 ZINC000826454368 608284370 /nfs/dbraw/zinc/28/43/70/608284370.db2.gz TZEOLMFKPNUPRT-MRXNPFEDSA-N -1 3 370.363 3.344 20 0 FGADHM Cc1nnc(CNc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)s1 ZINC000826335415 608290316 /nfs/dbraw/zinc/29/03/16/608290316.db2.gz MFEXFXPJFYGQTB-UHFFFAOYSA-N -1 3 365.422 3.431 20 0 FGADHM CC(C)(C)OC(=O)CCCCNc1nc2ccccc2cc1-c1nnn[n-]1 ZINC000824100252 608295264 /nfs/dbraw/zinc/29/52/64/608295264.db2.gz OQPMBPIQESMNJY-UHFFFAOYSA-N -1 3 368.441 3.339 20 0 FGADHM CC(C)(C)OC(=O)CCCCNc1nc2ccccc2cc1-c1nn[n-]n1 ZINC000824100252 608295266 /nfs/dbraw/zinc/29/52/66/608295266.db2.gz OQPMBPIQESMNJY-UHFFFAOYSA-N -1 3 368.441 3.339 20 0 FGADHM O=C(NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)[C@@H]1C[C@@H]1C1CC1 ZINC000826440228 608305982 /nfs/dbraw/zinc/30/59/82/608305982.db2.gz DWEVWKRVMIDPSA-RTBURBONSA-N -1 3 359.433 3.196 20 0 FGADHM O=C(NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)[C@@H]1C[C@@H]1C1CC1 ZINC000826440228 608305983 /nfs/dbraw/zinc/30/59/83/608305983.db2.gz DWEVWKRVMIDPSA-RTBURBONSA-N -1 3 359.433 3.196 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1nc2ccccc2s1 ZINC000825627213 608336471 /nfs/dbraw/zinc/33/64/71/608336471.db2.gz WGOXWJNRLYAMNR-UHFFFAOYSA-N -1 3 366.406 3.127 20 0 FGADHM CCN(C(=O)CC[C@@H]1CC[C@H](C)O1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825371952 608343799 /nfs/dbraw/zinc/34/37/99/608343799.db2.gz OLNOBOIBKJPGIY-AAEUAGOBSA-N -1 3 363.849 3.221 20 0 FGADHM CCN(C(=O)CC[C@@H]1CC[C@H](C)O1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825371952 608343802 /nfs/dbraw/zinc/34/38/02/608343802.db2.gz OLNOBOIBKJPGIY-AAEUAGOBSA-N -1 3 363.849 3.221 20 0 FGADHM CCN(C(=O)CC1CCSCC1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825366802 608346487 /nfs/dbraw/zinc/34/64/87/608346487.db2.gz FWWMNZFFXSKCEW-UHFFFAOYSA-N -1 3 365.890 3.406 20 0 FGADHM CCN(C(=O)CC1CCSCC1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825366802 608346489 /nfs/dbraw/zinc/34/64/89/608346489.db2.gz FWWMNZFFXSKCEW-UHFFFAOYSA-N -1 3 365.890 3.406 20 0 FGADHM CCc1noc(C)c1C(=O)N(CC)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825771829 608347506 /nfs/dbraw/zinc/34/75/06/608347506.db2.gz SWMAVAWNZYJDNH-UHFFFAOYSA-N -1 3 360.805 3.046 20 0 FGADHM CCc1noc(C)c1C(=O)N(CC)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825771829 608347507 /nfs/dbraw/zinc/34/75/07/608347507.db2.gz SWMAVAWNZYJDNH-UHFFFAOYSA-N -1 3 360.805 3.046 20 0 FGADHM CC(C)(C)CNC(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000824092958 608350968 /nfs/dbraw/zinc/35/09/68/608350968.db2.gz CHMXLEBPINOCIT-UHFFFAOYSA-N -1 3 364.453 3.379 20 0 FGADHM CC(C)(C)CNC(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000824092958 608350969 /nfs/dbraw/zinc/35/09/69/608350969.db2.gz CHMXLEBPINOCIT-UHFFFAOYSA-N -1 3 364.453 3.379 20 0 FGADHM CSc1cc(C(=O)OCc2cc(F)ccc2-c2nnn[n-]2)ccc1F ZINC000826230173 608380953 /nfs/dbraw/zinc/38/09/53/608380953.db2.gz HXVOLELJZCQVQJ-UHFFFAOYSA-N -1 3 362.361 3.224 20 0 FGADHM CSc1cc(C(=O)OCc2cc(F)ccc2-c2nn[n-]n2)ccc1F ZINC000826230173 608380954 /nfs/dbraw/zinc/38/09/54/608380954.db2.gz HXVOLELJZCQVQJ-UHFFFAOYSA-N -1 3 362.361 3.224 20 0 FGADHM Fc1c(CSc2nc3cc(Cl)cnc3[nH]2)cccc1-c1nnn[n-]1 ZINC000826371432 608394687 /nfs/dbraw/zinc/39/46/87/608394687.db2.gz GGOFCDOZHTWJET-UHFFFAOYSA-N -1 3 361.793 3.223 20 0 FGADHM Fc1c(CSc2nc3cc(Cl)cnc3[nH]2)cccc1-c1nn[n-]n1 ZINC000826371432 608394689 /nfs/dbraw/zinc/39/46/89/608394689.db2.gz GGOFCDOZHTWJET-UHFFFAOYSA-N -1 3 361.793 3.223 20 0 FGADHM Clc1cnc(Br)c(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826353863 608403126 /nfs/dbraw/zinc/40/31/26/608403126.db2.gz HEDBIQJMLQOKJB-UHFFFAOYSA-N -1 3 366.606 3.257 20 0 FGADHM Clc1cnc(Br)c(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826353863 608403127 /nfs/dbraw/zinc/40/31/27/608403127.db2.gz HEDBIQJMLQOKJB-UHFFFAOYSA-N -1 3 366.606 3.257 20 0 FGADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@@H](C)c1ccccc1Cl ZINC000824745179 608433544 /nfs/dbraw/zinc/43/35/44/608433544.db2.gz OCZKGJMDKZXEDS-RYUDHWBXSA-N -1 3 371.828 3.165 20 0 FGADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@@H](C)c1ccccc1Cl ZINC000824745179 608433545 /nfs/dbraw/zinc/43/35/45/608433545.db2.gz OCZKGJMDKZXEDS-RYUDHWBXSA-N -1 3 371.828 3.165 20 0 FGADHM Cc1ccc2[nH]c(C(=O)OCc3cccc(-c4nnn[n-]4)c3F)cc2c1 ZINC000826293244 608438372 /nfs/dbraw/zinc/43/83/72/608438372.db2.gz HQVOLSQBTZILPU-UHFFFAOYSA-N -1 3 351.341 3.153 20 0 FGADHM Cc1ccc2[nH]c(C(=O)OCc3cccc(-c4nn[n-]n4)c3F)cc2c1 ZINC000826293244 608438373 /nfs/dbraw/zinc/43/83/73/608438373.db2.gz HQVOLSQBTZILPU-UHFFFAOYSA-N -1 3 351.341 3.153 20 0 FGADHM c1cc2c(ncnc2N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)s1 ZINC000823868325 608441389 /nfs/dbraw/zinc/44/13/89/608441389.db2.gz WEVFWTVSPWKAFG-UHFFFAOYSA-N -1 3 361.434 3.165 20 0 FGADHM c1cc2c(ncnc2N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)s1 ZINC000823868325 608441391 /nfs/dbraw/zinc/44/13/91/608441391.db2.gz WEVFWTVSPWKAFG-UHFFFAOYSA-N -1 3 361.434 3.165 20 0 FGADHM Cc1nc(C(C)C)sc1C(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826323438 608441956 /nfs/dbraw/zinc/44/19/56/608441956.db2.gz DPGPUQZVEKBVJD-UHFFFAOYSA-N -1 3 361.402 3.251 20 0 FGADHM Cc1nc(C(C)C)sc1C(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826323438 608441958 /nfs/dbraw/zinc/44/19/58/608441958.db2.gz DPGPUQZVEKBVJD-UHFFFAOYSA-N -1 3 361.402 3.251 20 0 FGADHM CC(C)c1nnc(N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)s1 ZINC000824364999 608443235 /nfs/dbraw/zinc/44/32/35/608443235.db2.gz XXZFCSBIWQQPCI-UHFFFAOYSA-N -1 3 353.455 3.135 20 0 FGADHM CC(C)c1nnc(N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)s1 ZINC000824364999 608443236 /nfs/dbraw/zinc/44/32/36/608443236.db2.gz XXZFCSBIWQQPCI-UHFFFAOYSA-N -1 3 353.455 3.135 20 0 FGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)c1sccc1OC(F)F ZINC000826466661 608447251 /nfs/dbraw/zinc/44/72/51/608447251.db2.gz NZKQWMUGTYYBBS-UHFFFAOYSA-N -1 3 370.312 3.026 20 0 FGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)c1sccc1OC(F)F ZINC000826466661 608447253 /nfs/dbraw/zinc/44/72/53/608447253.db2.gz NZKQWMUGTYYBBS-UHFFFAOYSA-N -1 3 370.312 3.026 20 0 FGADHM C[C@H](CC(=O)OCc1cccc(-c2nnn[n-]2)c1F)c1ccc(F)cc1 ZINC000824390487 608447798 /nfs/dbraw/zinc/44/77/98/608447798.db2.gz AMONAFXYNACGQH-LLVKDONJSA-N -1 3 358.348 3.382 20 0 FGADHM C[C@H](CC(=O)OCc1cccc(-c2nn[n-]n2)c1F)c1ccc(F)cc1 ZINC000824390487 608447799 /nfs/dbraw/zinc/44/77/99/608447799.db2.gz AMONAFXYNACGQH-LLVKDONJSA-N -1 3 358.348 3.382 20 0 FGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)[C@H]1CCSc2ccccc21 ZINC000826466201 608450561 /nfs/dbraw/zinc/45/05/61/608450561.db2.gz SGRCZSVREMYPTN-ZDUSSCGKSA-N -1 3 370.409 3.329 20 0 FGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)[C@H]1CCSc2ccccc21 ZINC000826466201 608450563 /nfs/dbraw/zinc/45/05/63/608450563.db2.gz SGRCZSVREMYPTN-ZDUSSCGKSA-N -1 3 370.409 3.329 20 0 FGADHM Cc1cc(C(=O)OCc2cccc(-c3nnn[n-]3)c2F)c(Cl)cc1F ZINC000826261484 608451024 /nfs/dbraw/zinc/45/10/24/608451024.db2.gz HFDQZUZEHYFFDO-UHFFFAOYSA-N -1 3 364.739 3.464 20 0 FGADHM Cc1cc(C(=O)OCc2cccc(-c3nn[n-]n3)c2F)c(Cl)cc1F ZINC000826261484 608451027 /nfs/dbraw/zinc/45/10/27/608451027.db2.gz HFDQZUZEHYFFDO-UHFFFAOYSA-N -1 3 364.739 3.464 20 0 FGADHM C[C@@H](NCc1ccn(-c2ccc(F)cc2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824624778 608463951 /nfs/dbraw/zinc/46/39/51/608463951.db2.gz CEPHJXIBQJXQMR-CYBMUJFWSA-N -1 3 363.400 3.042 20 0 FGADHM Fc1ccc([C@@H](CC(F)(F)F)NCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000826373244 608471168 /nfs/dbraw/zinc/47/11/68/608471168.db2.gz FRMLVCAHSPWVBT-CQSZACIVSA-N -1 3 366.322 3.184 20 0 FGADHM Cc1ccc(F)c(C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000826289393 608483052 /nfs/dbraw/zinc/48/30/52/608483052.db2.gz YDBKVVCFSUYTOK-UHFFFAOYSA-N -1 3 363.396 3.244 20 0 FGADHM Cc1ccc(F)c(C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000826289393 608483053 /nfs/dbraw/zinc/48/30/53/608483053.db2.gz YDBKVVCFSUYTOK-UHFFFAOYSA-N -1 3 363.396 3.244 20 0 FGADHM C[C@H](N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1nnc(-c2cccs2)o1 ZINC000824530660 608491873 /nfs/dbraw/zinc/49/18/73/608491873.db2.gz MQLZTRPDXZYUJX-QWRGUYRKSA-N -1 3 367.438 3.390 20 0 FGADHM C[C@H](NCc1nc(C(F)(F)F)cs1)c1cccc(-c2nn[n-]n2)c1 ZINC000824626167 608492292 /nfs/dbraw/zinc/49/22/92/608492292.db2.gz MYPBNLVZCFNQMZ-QMMMGPOBSA-N -1 3 354.361 3.193 20 0 FGADHM C[C@@H](NCc1nc(C(F)(F)F)cs1)c1cccc(-c2nn[n-]n2)c1 ZINC000824626166 608492534 /nfs/dbraw/zinc/49/25/34/608492534.db2.gz MYPBNLVZCFNQMZ-MRVPVSSYSA-N -1 3 354.361 3.193 20 0 FGADHM CC[C@H](OC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1cccc(OC)c1 ZINC000825153158 608499615 /nfs/dbraw/zinc/49/96/15/608499615.db2.gz GNWUXHQMXPMEKM-KRWDZBQOSA-N -1 3 352.394 3.112 20 0 FGADHM CC[C@H](OC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1cccc(OC)c1 ZINC000825153158 608499616 /nfs/dbraw/zinc/49/96/16/608499616.db2.gz GNWUXHQMXPMEKM-KRWDZBQOSA-N -1 3 352.394 3.112 20 0 FGADHM Cc1ccccc1-c1nc(CNC2(c3cccc(-c4nnn[n-]4)c3)CC2)no1 ZINC000826304938 608532840 /nfs/dbraw/zinc/53/28/40/608532840.db2.gz FABKDHDDQSLCPH-UHFFFAOYSA-N -1 3 373.420 3.004 20 0 FGADHM Cc1ccccc1-c1nc(CNC2(c3cccc(-c4nn[n-]n4)c3)CC2)no1 ZINC000826304938 608532842 /nfs/dbraw/zinc/53/28/42/608532842.db2.gz FABKDHDDQSLCPH-UHFFFAOYSA-N -1 3 373.420 3.004 20 0 FGADHM CC(C)=C[C@H]1[C@H](C(=O)Nc2nc3c(cc2-c2nnn[n-]2)CCCC3)C1(C)C ZINC000824178594 608569563 /nfs/dbraw/zinc/56/95/63/608569563.db2.gz ZBDWIIBSECLKNE-GOEBONIOSA-N -1 3 366.469 3.317 20 0 FGADHM CC(C)=C[C@H]1[C@H](C(=O)Nc2nc3c(cc2-c2nn[n-]n2)CCCC3)C1(C)C ZINC000824178594 608569565 /nfs/dbraw/zinc/56/95/65/608569565.db2.gz ZBDWIIBSECLKNE-GOEBONIOSA-N -1 3 366.469 3.317 20 0 FGADHM CSc1ccc(C(=O)Nc2nc3c(cc2-c2nnn[n-]2)CCCC3)cc1 ZINC000826230058 608571826 /nfs/dbraw/zinc/57/18/26/608571826.db2.gz BRVVNKCRVIBUGJ-UHFFFAOYSA-N -1 3 366.450 3.115 20 0 FGADHM CSc1ccc(C(=O)Nc2nc3c(cc2-c2nn[n-]n2)CCCC3)cc1 ZINC000826230058 608571829 /nfs/dbraw/zinc/57/18/29/608571829.db2.gz BRVVNKCRVIBUGJ-UHFFFAOYSA-N -1 3 366.450 3.115 20 0 FGADHM O=C(N[C@@H]1CCSc2ccccc21)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826432005 608573990 /nfs/dbraw/zinc/57/39/90/608573990.db2.gz PUNUQINFEJAJDT-CQSZACIVSA-N -1 3 371.853 3.487 20 0 FGADHM O=C(N[C@@H]1CCSc2ccccc21)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826432005 608573991 /nfs/dbraw/zinc/57/39/91/608573991.db2.gz PUNUQINFEJAJDT-CQSZACIVSA-N -1 3 371.853 3.487 20 0 FGADHM O=C(c1ccc(Cl)c(-c2nnn[n-]2)c1)N(Cc1ccccc1)C1CC1 ZINC000826472556 608576354 /nfs/dbraw/zinc/57/63/54/608576354.db2.gz OFKZXNPYJMUSCP-UHFFFAOYSA-N -1 3 353.813 3.325 20 0 FGADHM O=C(c1ccc(Cl)c(-c2nn[n-]n2)c1)N(Cc1ccccc1)C1CC1 ZINC000826472556 608576356 /nfs/dbraw/zinc/57/63/56/608576356.db2.gz OFKZXNPYJMUSCP-UHFFFAOYSA-N -1 3 353.813 3.325 20 0 FGADHM Cn1c2ccccc2nc1[C@H]1CCCN1Cc1cc(-c2nnn[n-]2)cs1 ZINC000826355012 608612131 /nfs/dbraw/zinc/61/21/31/608612131.db2.gz GQLXZACIJBRZBA-MRXNPFEDSA-N -1 3 365.466 3.152 20 0 FGADHM Cn1c2ccccc2nc1[C@H]1CCCN1Cc1cc(-c2nn[n-]n2)cs1 ZINC000826355012 608612133 /nfs/dbraw/zinc/61/21/33/608612133.db2.gz GQLXZACIJBRZBA-MRXNPFEDSA-N -1 3 365.466 3.152 20 0 FGADHM Cc1ccccc1[C@H]1CN(Cc2ccc(-c3nnn[n-]3)s2)[C@@H](C)CO1 ZINC000826306873 608720980 /nfs/dbraw/zinc/72/09/80/608720980.db2.gz OGKFJELKNNKAEK-XJKSGUPXSA-N -1 3 355.467 3.199 20 0 FGADHM Cc1ccccc1[C@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)[C@@H](C)CO1 ZINC000826306873 608720982 /nfs/dbraw/zinc/72/09/82/608720982.db2.gz OGKFJELKNNKAEK-XJKSGUPXSA-N -1 3 355.467 3.199 20 0 FGADHM c1ccc2sc([C@H]3CCCN(c4cnccc4-c4nnn[n-]4)C3)nc2c1 ZINC000826524299 608770573 /nfs/dbraw/zinc/77/05/73/608770573.db2.gz PTXUWFHFHBIJCA-LBPRGKRZSA-N -1 3 363.450 3.255 20 0 FGADHM c1ccc2sc([C@H]3CCCN(c4cnccc4-c4nn[n-]n4)C3)nc2c1 ZINC000826524299 608770575 /nfs/dbraw/zinc/77/05/75/608770575.db2.gz PTXUWFHFHBIJCA-LBPRGKRZSA-N -1 3 363.450 3.255 20 0 FGADHM COc1cccc(CNc2cnccc2-c2nnn[n-]2)c1OC1CCCC1 ZINC000826215866 608783967 /nfs/dbraw/zinc/78/39/67/608783967.db2.gz ATVFSFOEGAFZPM-UHFFFAOYSA-N -1 3 366.425 3.204 20 0 FGADHM COc1cccc(CNc2cnccc2-c2nn[n-]n2)c1OC1CCCC1 ZINC000826215866 608783968 /nfs/dbraw/zinc/78/39/68/608783968.db2.gz ATVFSFOEGAFZPM-UHFFFAOYSA-N -1 3 366.425 3.204 20 0 FGADHM CC(C)(C)OC(=O)C1CCC(Nc2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000824093679 608797497 /nfs/dbraw/zinc/79/74/97/608797497.db2.gz JJHJEQQSJKPVKP-UHFFFAOYSA-N -1 3 361.421 3.318 20 0 FGADHM Fc1ccc(CN2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)cc1Cl ZINC000826374728 608851276 /nfs/dbraw/zinc/85/12/76/608851276.db2.gz KSTCXCKKFMUUSG-QGZVFWFLSA-N -1 3 373.819 3.233 20 0 FGADHM Fc1ccc(CN2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)cc1Cl ZINC000826374728 608851279 /nfs/dbraw/zinc/85/12/79/608851279.db2.gz KSTCXCKKFMUUSG-QGZVFWFLSA-N -1 3 373.819 3.233 20 0 FGADHM Cc1ccc(-c2ncco2)cc1NCc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000826273701 608861384 /nfs/dbraw/zinc/86/13/84/608861384.db2.gz QIKMYWPABXBIRL-UHFFFAOYSA-N -1 3 372.392 3.090 20 0 FGADHM Cc1ccc(-c2ncco2)cc1NCc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000826273701 608861387 /nfs/dbraw/zinc/86/13/87/608861387.db2.gz QIKMYWPABXBIRL-UHFFFAOYSA-N -1 3 372.392 3.090 20 0 FGADHM CC1(C)CCCC[C@H]1Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1 ZINC000824801738 608870671 /nfs/dbraw/zinc/87/06/71/608870671.db2.gz HLVLBBAOAKYZTB-GOSISDBHSA-N -1 3 370.501 3.209 20 0 FGADHM CC1(C)CCCC[C@H]1Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1 ZINC000824801738 608870675 /nfs/dbraw/zinc/87/06/75/608870675.db2.gz HLVLBBAOAKYZTB-GOSISDBHSA-N -1 3 370.501 3.209 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N1CCC[C@H]1/C=C/c1ccccc1 ZINC000826422639 609137795 /nfs/dbraw/zinc/13/77/95/609137795.db2.gz HBOSZMKLGARBKW-CVTTXWKISA-N -1 3 359.433 3.114 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N1CCC[C@H]1/C=C/c1ccccc1 ZINC000826422639 609137796 /nfs/dbraw/zinc/13/77/96/609137796.db2.gz HBOSZMKLGARBKW-CVTTXWKISA-N -1 3 359.433 3.114 20 0 FGADHM C[C@H](NCc1cccc2c1OCCCO2)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824619750 609153238 /nfs/dbraw/zinc/15/32/38/609153238.db2.gz ZRTMDVNTZFRVNK-LBPRGKRZSA-N -1 3 369.400 3.018 20 0 FGADHM CCOCCCC(=O)Nc1c(-c2nnn[n-]2)c(C)c(C)n1-c1ccccc1 ZINC000825590450 609166042 /nfs/dbraw/zinc/16/60/42/609166042.db2.gz VMCKHPLMJHMJTE-UHFFFAOYSA-N -1 3 368.441 3.029 20 0 FGADHM CCOCCCC(=O)Nc1c(-c2nn[n-]n2)c(C)c(C)n1-c1ccccc1 ZINC000825590450 609166044 /nfs/dbraw/zinc/16/60/44/609166044.db2.gz VMCKHPLMJHMJTE-UHFFFAOYSA-N -1 3 368.441 3.029 20 0 FGADHM CC[C@H](C)Oc1cc(CNc2ncc(-c3nnn[n-]3)cc2Cl)ccn1 ZINC000825074898 609172732 /nfs/dbraw/zinc/17/27/32/609172732.db2.gz KSSWNJVXKQSHNS-JTQLQIEISA-N -1 3 359.821 3.100 20 0 FGADHM CC[C@H](C)Oc1cc(CNc2ncc(-c3nn[n-]n3)cc2Cl)ccn1 ZINC000825074898 609172734 /nfs/dbraw/zinc/17/27/34/609172734.db2.gz KSSWNJVXKQSHNS-JTQLQIEISA-N -1 3 359.821 3.100 20 0 FGADHM CSc1ccccc1CC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000826230639 609174099 /nfs/dbraw/zinc/17/40/99/609174099.db2.gz CKJZIYNADWAQAK-UHFFFAOYSA-N -1 3 370.482 3.326 20 0 FGADHM CSc1ccccc1CC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000826230639 609174101 /nfs/dbraw/zinc/17/41/01/609174101.db2.gz CKJZIYNADWAQAK-UHFFFAOYSA-N -1 3 370.482 3.326 20 0 FGADHM CC(C)c1ccc([C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C(C)C)cc1 ZINC000824348100 609190373 /nfs/dbraw/zinc/19/03/73/609190373.db2.gz ZMZANWYHFDAVQA-KRWDZBQOSA-N -1 3 352.442 3.445 20 0 FGADHM CC(C)c1ccc([C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C(C)C)cc1 ZINC000824348100 609190374 /nfs/dbraw/zinc/19/03/74/609190374.db2.gz ZMZANWYHFDAVQA-KRWDZBQOSA-N -1 3 352.442 3.445 20 0 FGADHM Cc1cccc(N(C)Cc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826298754 609201362 /nfs/dbraw/zinc/20/13/62/609201362.db2.gz GOBILLLVKNJXQJ-UHFFFAOYSA-N -1 3 359.437 3.212 20 0 FGADHM Cc1cccc(N(C)Cc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826298754 609201364 /nfs/dbraw/zinc/20/13/64/609201364.db2.gz GOBILLLVKNJXQJ-UHFFFAOYSA-N -1 3 359.437 3.212 20 0 FGADHM CC(C)Cc1ccc([C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C2CC2)cc1 ZINC000824281025 609204812 /nfs/dbraw/zinc/20/48/12/609204812.db2.gz XPRQTUOIGXKLAD-SFHVURJKSA-N -1 3 364.453 3.274 20 0 FGADHM CC(C)Cc1ccc([C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C2CC2)cc1 ZINC000824281025 609204813 /nfs/dbraw/zinc/20/48/13/609204813.db2.gz XPRQTUOIGXKLAD-SFHVURJKSA-N -1 3 364.453 3.274 20 0 FGADHM CC[C@H](C)Oc1cc(C(=O)N(CC)c2ccc(-c3nnn[n-]3)cc2)ccn1 ZINC000825076981 609207963 /nfs/dbraw/zinc/20/79/63/609207963.db2.gz ZRFVSAPZCGYLES-ZDUSSCGKSA-N -1 3 366.425 3.106 20 0 FGADHM CC[C@H](C)Oc1cc(C(=O)N(CC)c2ccc(-c3nn[n-]n3)cc2)ccn1 ZINC000825076981 609207965 /nfs/dbraw/zinc/20/79/65/609207965.db2.gz ZRFVSAPZCGYLES-ZDUSSCGKSA-N -1 3 366.425 3.106 20 0 FGADHM CC(C)C[C@@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1ccc(Cl)cc1 ZINC000824235067 609216531 /nfs/dbraw/zinc/21/65/31/609216531.db2.gz BELCFTLIYBHRML-CQSZACIVSA-N -1 3 358.833 3.365 20 0 FGADHM CC(C)C[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccc(Cl)cc1 ZINC000824235067 609216533 /nfs/dbraw/zinc/21/65/33/609216533.db2.gz BELCFTLIYBHRML-CQSZACIVSA-N -1 3 358.833 3.365 20 0 FGADHM C[C@H]([C@@H](C)c1ccc(Cl)cc1)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000824764543 609221046 /nfs/dbraw/zinc/22/10/46/609221046.db2.gz XEAVTPXFWLOHNB-GHMZBOCLSA-N -1 3 358.833 3.112 20 0 FGADHM C[C@H]([C@@H](C)c1ccc(Cl)cc1)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000824764543 609221047 /nfs/dbraw/zinc/22/10/47/609221047.db2.gz XEAVTPXFWLOHNB-GHMZBOCLSA-N -1 3 358.833 3.112 20 0 FGADHM C[C@H](Nc1ccc(O[C@@H]2CCOC2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824657581 609237124 /nfs/dbraw/zinc/23/71/24/609237124.db2.gz RJVJNCOBOKBLPJ-SCLBCKFNSA-N -1 3 351.410 3.208 20 0 FGADHM C[C@H](Nc1ccc(O[C@@H]2CCOC2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824657581 609237126 /nfs/dbraw/zinc/23/71/26/609237126.db2.gz RJVJNCOBOKBLPJ-SCLBCKFNSA-N -1 3 351.410 3.208 20 0 FGADHM CC(C)CC[C@@H](C)Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1 ZINC000824243537 609241621 /nfs/dbraw/zinc/24/16/21/609241621.db2.gz ISSDMHBJYXAEDH-CQSZACIVSA-N -1 3 358.490 3.064 20 0 FGADHM CC(C)CC[C@@H](C)Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1 ZINC000824243537 609241622 /nfs/dbraw/zinc/24/16/22/609241622.db2.gz ISSDMHBJYXAEDH-CQSZACIVSA-N -1 3 358.490 3.064 20 0 FGADHM CCNC(=O)c1cccc(N[C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)c1 ZINC000825476355 609272222 /nfs/dbraw/zinc/27/22/22/609272222.db2.gz HHWYIPBAIRGIEP-GOSISDBHSA-N -1 3 362.437 3.106 20 0 FGADHM CCNC(=O)c1cccc(N[C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)c1 ZINC000825476355 609272224 /nfs/dbraw/zinc/27/22/24/609272224.db2.gz HHWYIPBAIRGIEP-GOSISDBHSA-N -1 3 362.437 3.106 20 0 FGADHM C[C@@H](Nc1cccc(C(=O)NC2CC2)c1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824662195 609273303 /nfs/dbraw/zinc/27/33/03/609273303.db2.gz FODGJLVQAKSGKS-LLVKDONJSA-N -1 3 366.400 3.071 20 0 FGADHM C[C@@H](Nc1cccc(C(=O)NC2CC2)c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824662195 609273304 /nfs/dbraw/zinc/27/33/04/609273304.db2.gz FODGJLVQAKSGKS-LLVKDONJSA-N -1 3 366.400 3.071 20 0 FGADHM COc1cc(OC)c(N[C@@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)cc1F ZINC000826181241 609280109 /nfs/dbraw/zinc/28/01/09/609280109.db2.gz QSAFNNXLHOKJCK-VIFPVBQESA-N -1 3 361.352 3.335 20 0 FGADHM COc1cc(OC)c(N[C@@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)cc1F ZINC000826181241 609280110 /nfs/dbraw/zinc/28/01/10/609280110.db2.gz QSAFNNXLHOKJCK-VIFPVBQESA-N -1 3 361.352 3.335 20 0 FGADHM C[C@H](CNC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)Sc1ccccc1 ZINC000824426743 609291534 /nfs/dbraw/zinc/29/15/34/609291534.db2.gz HGFVTBGDHWCVDE-LLVKDONJSA-N -1 3 373.869 3.431 20 0 FGADHM C[C@H](CNC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)Sc1ccccc1 ZINC000824426743 609291535 /nfs/dbraw/zinc/29/15/35/609291535.db2.gz HGFVTBGDHWCVDE-LLVKDONJSA-N -1 3 373.869 3.431 20 0 FGADHM Fc1c(CN(Cc2ccco2)Cc2cccnc2)cccc1-c1nnn[n-]1 ZINC000826370443 609296680 /nfs/dbraw/zinc/29/66/80/609296680.db2.gz SPWIAKCJHHLMRC-UHFFFAOYSA-N -1 3 364.384 3.196 20 0 FGADHM Fc1c(CN(Cc2ccco2)Cc2cccnc2)cccc1-c1nn[n-]n1 ZINC000826370443 609296682 /nfs/dbraw/zinc/29/66/82/609296682.db2.gz SPWIAKCJHHLMRC-UHFFFAOYSA-N -1 3 364.384 3.196 20 0 FGADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCC2)[C@H](F)Cc1ccccc1 ZINC000826460522 609305187 /nfs/dbraw/zinc/30/51/87/609305187.db2.gz GWWLCXJRIFBKOT-CYBMUJFWSA-N -1 3 371.441 3.326 20 0 FGADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCC2)[C@H](F)Cc1ccccc1 ZINC000826460522 609305189 /nfs/dbraw/zinc/30/51/89/609305189.db2.gz GWWLCXJRIFBKOT-CYBMUJFWSA-N -1 3 371.441 3.326 20 0 FGADHM Cc1cccc(C)c1OCCCSc1nnc(C)c(C)c1-c1nnn[n-]1 ZINC000826296890 609305418 /nfs/dbraw/zinc/30/54/18/609305418.db2.gz NRKLTXSMKUYGDD-UHFFFAOYSA-N -1 3 370.482 3.452 20 0 FGADHM Cc1cccc(C)c1OCCCSc1nnc(C)c(C)c1-c1nn[n-]n1 ZINC000826296890 609305419 /nfs/dbraw/zinc/30/54/19/609305419.db2.gz NRKLTXSMKUYGDD-UHFFFAOYSA-N -1 3 370.482 3.452 20 0 FGADHM Cc1nnc(SCc2nc(C(F)(F)F)cs2)c(-c2nnn[n-]2)c1C ZINC000826337592 609306374 /nfs/dbraw/zinc/30/63/74/609306374.db2.gz UEBLQTKGOIJIRS-UHFFFAOYSA-N -1 3 373.389 3.041 20 0 FGADHM Cc1nnc(SCc2nc(C(F)(F)F)cs2)c(-c2nn[n-]n2)c1C ZINC000826337592 609306375 /nfs/dbraw/zinc/30/63/75/609306375.db2.gz UEBLQTKGOIJIRS-UHFFFAOYSA-N -1 3 373.389 3.041 20 0 FGADHM CC[C@@H](C)n1nc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2C)cc1C ZINC000825080869 609331830 /nfs/dbraw/zinc/33/18/30/609331830.db2.gz CKLPKFIFNKDOBH-GFCCVEGCSA-N -1 3 354.414 3.008 20 0 FGADHM CC[C@@H](C)n1nc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2C)cc1C ZINC000825080869 609331831 /nfs/dbraw/zinc/33/18/31/609331831.db2.gz CKLPKFIFNKDOBH-GFCCVEGCSA-N -1 3 354.414 3.008 20 0 FGADHM CC(C)[C@@H](N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1F)C(=O)OC(C)(C)C ZINC000824648609 609347598 /nfs/dbraw/zinc/34/75/98/609347598.db2.gz HFEYUHQYJIPUQY-XHDPSFHLSA-N -1 3 363.437 3.023 20 0 FGADHM CC(C)[C@@H](N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1F)C(=O)OC(C)(C)C ZINC000824648609 609347600 /nfs/dbraw/zinc/34/76/00/609347600.db2.gz HFEYUHQYJIPUQY-XHDPSFHLSA-N -1 3 363.437 3.023 20 0 FGADHM CCN(Cc1ccncc1)Cc1ccc(-c2nnn[n-]2)cc1Br ZINC000825439407 609366373 /nfs/dbraw/zinc/36/63/73/609366373.db2.gz BCMJYWNBIZTPJD-UHFFFAOYSA-N -1 3 373.258 3.046 20 0 FGADHM CCN(Cc1ccncc1)Cc1ccc(-c2nn[n-]n2)cc1Br ZINC000825439407 609366375 /nfs/dbraw/zinc/36/63/75/609366375.db2.gz BCMJYWNBIZTPJD-UHFFFAOYSA-N -1 3 373.258 3.046 20 0 FGADHM Fc1cc(N[C@H]2CCCOC2)ccc1OCc1cccc(-c2nnn[n-]2)c1 ZINC000826372514 609369882 /nfs/dbraw/zinc/36/98/82/609369882.db2.gz ADFWVPKCUWJRTD-INIZCTEOSA-N -1 3 369.400 3.176 20 0 FGADHM Fc1cc(N[C@H]2CCCOC2)ccc1OCc1cccc(-c2nn[n-]n2)c1 ZINC000826372514 609369885 /nfs/dbraw/zinc/36/98/85/609369885.db2.gz ADFWVPKCUWJRTD-INIZCTEOSA-N -1 3 369.400 3.176 20 0 FGADHM Cc1sc(NC(=O)C[C@H]2CCO[C@@H](C(C)C)C2)c(-c2nnn[n-]2)c1C ZINC000826349630 609372689 /nfs/dbraw/zinc/37/26/89/609372689.db2.gz OFZSTPKNJZPKGW-QWHCGFSZSA-N -1 3 363.487 3.325 20 0 FGADHM Cc1sc(NC(=O)C[C@H]2CCO[C@@H](C(C)C)C2)c(-c2nn[n-]n2)c1C ZINC000826349630 609372691 /nfs/dbraw/zinc/37/26/91/609372691.db2.gz OFZSTPKNJZPKGW-QWHCGFSZSA-N -1 3 363.487 3.325 20 0 FGADHM C[C@@H](OC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1nc2ccccc2o1 ZINC000824712523 609402993 /nfs/dbraw/zinc/40/29/93/609402993.db2.gz AOGFMZIQZHMRGO-MRVPVSSYSA-N -1 3 371.303 3.204 20 0 FGADHM C[C@@H](OC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1nc2ccccc2o1 ZINC000824712523 609402995 /nfs/dbraw/zinc/40/29/95/609402995.db2.gz AOGFMZIQZHMRGO-MRVPVSSYSA-N -1 3 371.303 3.204 20 0 FGADHM C[C@@H]1CC[C@@]2(CCN(C(=O)C(C)(C)Oc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC000824915209 609412221 /nfs/dbraw/zinc/41/22/21/609412221.db2.gz CJRJQBFWKUSCTF-JLTOFOAXSA-N -1 3 369.469 3.063 20 0 FGADHM C[C@@H]1CC[C@@]2(CCN(C(=O)C(C)(C)Oc3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC000824915209 609412223 /nfs/dbraw/zinc/41/22/23/609412223.db2.gz CJRJQBFWKUSCTF-JLTOFOAXSA-N -1 3 369.469 3.063 20 0 FGADHM C[C@@H]1CC[C@]2(CCN(C(=O)C(C)(C)Oc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC000824915211 609412482 /nfs/dbraw/zinc/41/24/82/609412482.db2.gz CJRJQBFWKUSCTF-VLIAUNLRSA-N -1 3 369.469 3.063 20 0 FGADHM C[C@@H]1CC[C@]2(CCN(C(=O)C(C)(C)Oc3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC000824915211 609412483 /nfs/dbraw/zinc/41/24/83/609412483.db2.gz CJRJQBFWKUSCTF-VLIAUNLRSA-N -1 3 369.469 3.063 20 0 FGADHM COc1ccc(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)cc1Cc1ccccc1 ZINC000826209485 609419466 /nfs/dbraw/zinc/41/94/66/609419466.db2.gz DSHRLRCEOGGOSU-UHFFFAOYSA-N -1 3 374.404 3.047 20 0 FGADHM COc1ccc(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)cc1Cc1ccccc1 ZINC000826209485 609419468 /nfs/dbraw/zinc/41/94/68/609419468.db2.gz DSHRLRCEOGGOSU-UHFFFAOYSA-N -1 3 374.404 3.047 20 0 FGADHM CSCCCCCCNC(=S)Nc1cccc(-c2nnn[n-]2)c1 ZINC000826228012 609442486 /nfs/dbraw/zinc/44/24/86/609442486.db2.gz BIXKEWCMMFRYAM-UHFFFAOYSA-N -1 3 350.517 3.077 20 0 FGADHM CSCCCCCCNC(=S)Nc1cccc(-c2nn[n-]n2)c1 ZINC000826228012 609442487 /nfs/dbraw/zinc/44/24/87/609442487.db2.gz BIXKEWCMMFRYAM-UHFFFAOYSA-N -1 3 350.517 3.077 20 0 FGADHM C[C@H](Nc1nc2ccccn2c1-c1nnn[n-]1)c1ccc(F)c(Cl)c1 ZINC000824662617 609463020 /nfs/dbraw/zinc/46/30/20/609463020.db2.gz OAKZQKOAYVFYFS-VIFPVBQESA-N -1 3 357.780 3.480 20 0 FGADHM C[C@H](Nc1nc2ccccn2c1-c1nn[n-]n1)c1ccc(F)c(Cl)c1 ZINC000824662617 609463023 /nfs/dbraw/zinc/46/30/23/609463023.db2.gz OAKZQKOAYVFYFS-VIFPVBQESA-N -1 3 357.780 3.480 20 0 FGADHM CN(Cc1cccc(C(F)(F)F)c1)c1nc2ccccn2c1-c1nnn[n-]1 ZINC000825976624 609463864 /nfs/dbraw/zinc/46/38/64/609463864.db2.gz NZKCOPDLZULNDC-UHFFFAOYSA-N -1 3 373.342 3.170 20 0 FGADHM CN(Cc1cccc(C(F)(F)F)c1)c1nc2ccccn2c1-c1nn[n-]n1 ZINC000825976624 609463867 /nfs/dbraw/zinc/46/38/67/609463867.db2.gz NZKCOPDLZULNDC-UHFFFAOYSA-N -1 3 373.342 3.170 20 0 FGADHM Clc1cccc2c1CC[C@H]2Nc1nc2ccccn2c1-c1nnn[n-]1 ZINC000826353632 609464890 /nfs/dbraw/zinc/46/48/90/609464890.db2.gz XPBCDPRGNAXNIY-CYBMUJFWSA-N -1 3 351.801 3.267 20 0 FGADHM Clc1cccc2c1CC[C@H]2Nc1nc2ccccn2c1-c1nn[n-]n1 ZINC000826353632 609464893 /nfs/dbraw/zinc/46/48/93/609464893.db2.gz XPBCDPRGNAXNIY-CYBMUJFWSA-N -1 3 351.801 3.267 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC1CCC2(CCOCC2)CC1 ZINC000825625809 609475826 /nfs/dbraw/zinc/47/58/26/609475826.db2.gz DZRLQZZLQAKYKG-UHFFFAOYSA-N -1 3 357.458 3.417 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC1CCC2(CCOCC2)CC1 ZINC000825625809 609475828 /nfs/dbraw/zinc/47/58/28/609475828.db2.gz DZRLQZZLQAKYKG-UHFFFAOYSA-N -1 3 357.458 3.417 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC1CCN(c2ccccc2)CC1 ZINC000825626860 609476556 /nfs/dbraw/zinc/47/65/56/609476556.db2.gz QAIFKESDFPVLSB-UHFFFAOYSA-N -1 3 364.453 3.346 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC1CCN(c2ccccc2)CC1 ZINC000825626860 609476559 /nfs/dbraw/zinc/47/65/59/609476559.db2.gz QAIFKESDFPVLSB-UHFFFAOYSA-N -1 3 364.453 3.346 20 0 FGADHM CCOC(=O)c1ccc(-c2nnn[n-]2)c(SCc2ccc(F)cc2C)n1 ZINC000825559853 609485322 /nfs/dbraw/zinc/48/53/22/609485322.db2.gz KHYAPIZTMGFNHQ-UHFFFAOYSA-N -1 3 373.413 3.178 20 0 FGADHM CCOC(=O)c1ccc(-c2nn[n-]n2)c(SCc2ccc(F)cc2C)n1 ZINC000825559853 609485324 /nfs/dbraw/zinc/48/53/24/609485324.db2.gz KHYAPIZTMGFNHQ-UHFFFAOYSA-N -1 3 373.413 3.178 20 0 FGADHM Cc1cc(C(=O)Nc2c(C)cccc2C)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826296821 609507163 /nfs/dbraw/zinc/50/71/63/609507163.db2.gz KCIPFFHMUGEZTF-UHFFFAOYSA-N -1 3 373.420 3.230 20 0 FGADHM Cc1cc(C(=O)Nc2c(C)cccc2C)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826296821 609507165 /nfs/dbraw/zinc/50/71/65/609507165.db2.gz KCIPFFHMUGEZTF-UHFFFAOYSA-N -1 3 373.420 3.230 20 0 FGADHM Cc1ccnc(N(Cc2ccco2)Cc2cccs2)c1-c1nnn[n-]1 ZINC000826309245 609527501 /nfs/dbraw/zinc/52/75/01/609527501.db2.gz IXRAVKKAYVOLPX-UHFFFAOYSA-N -1 3 352.423 3.431 20 0 FGADHM Cc1ccnc(N(Cc2ccco2)Cc2cccs2)c1-c1nn[n-]n1 ZINC000826309245 609527504 /nfs/dbraw/zinc/52/75/04/609527504.db2.gz IXRAVKKAYVOLPX-UHFFFAOYSA-N -1 3 352.423 3.431 20 0 FGADHM Cc1c(Cl)cnc(N2CCCC[C@H]2c2nccs2)c1-c1nnn[n-]1 ZINC000826237872 609543564 /nfs/dbraw/zinc/54/35/64/609543564.db2.gz OEQWMFXIGKPGIW-NSHDSACASA-N -1 3 361.862 3.412 20 0 FGADHM Cc1c(Cl)cnc(N2CCCC[C@H]2c2nccs2)c1-c1nn[n-]n1 ZINC000826237872 609543565 /nfs/dbraw/zinc/54/35/65/609543565.db2.gz OEQWMFXIGKPGIW-NSHDSACASA-N -1 3 361.862 3.412 20 0 FGADHM Cc1cccc2c1OCC[C@@H]2Nc1ncc(Cl)c(C)c1-c1nnn[n-]1 ZINC000826304986 609544491 /nfs/dbraw/zinc/54/44/91/609544491.db2.gz GJQFIDIUTYYSFG-ZDUSSCGKSA-N -1 3 356.817 3.468 20 0 FGADHM Cc1cccc2c1OCC[C@@H]2Nc1ncc(Cl)c(C)c1-c1nn[n-]n1 ZINC000826304986 609544493 /nfs/dbraw/zinc/54/44/93/609544493.db2.gz GJQFIDIUTYYSFG-ZDUSSCGKSA-N -1 3 356.817 3.468 20 0 FGADHM Cc1ccnc(N2CCC(OCC3CCCCC3)CC2)c1-c1nnn[n-]1 ZINC000826310503 609562374 /nfs/dbraw/zinc/56/23/74/609562374.db2.gz YBJFVTRZEPAFRZ-UHFFFAOYSA-N -1 3 356.474 3.136 20 0 FGADHM Cc1ccnc(N2CCC(OCC3CCCCC3)CC2)c1-c1nn[n-]n1 ZINC000826310503 609562375 /nfs/dbraw/zinc/56/23/75/609562375.db2.gz YBJFVTRZEPAFRZ-UHFFFAOYSA-N -1 3 356.474 3.136 20 0 FGADHM Cc1ccnc(NCc2ccc(C(=O)OC(C)(C)C)cc2)c1-c1nnn[n-]1 ZINC000826314312 609564816 /nfs/dbraw/zinc/56/48/16/609564816.db2.gz QHJFSUCMYUKFMV-UHFFFAOYSA-N -1 3 366.425 3.138 20 0 FGADHM Cc1ccnc(NCc2ccc(C(=O)OC(C)(C)C)cc2)c1-c1nn[n-]n1 ZINC000826314312 609564818 /nfs/dbraw/zinc/56/48/18/609564818.db2.gz QHJFSUCMYUKFMV-UHFFFAOYSA-N -1 3 366.425 3.138 20 0 FGADHM Cc1ccnc(N[C@H](C[C@H]2CCOC2)c2ccccc2)c1-c1nnn[n-]1 ZINC000826311794 609581076 /nfs/dbraw/zinc/58/10/76/609581076.db2.gz NSTBFJUAPKHQHV-GDBMZVCRSA-N -1 3 350.426 3.150 20 0 FGADHM Cc1ccnc(N[C@H](C[C@H]2CCOC2)c2ccccc2)c1-c1nn[n-]n1 ZINC000826311794 609581077 /nfs/dbraw/zinc/58/10/77/609581077.db2.gz NSTBFJUAPKHQHV-GDBMZVCRSA-N -1 3 350.426 3.150 20 0 FGADHM CC[C@@H](C)[C@@H](C)C(=O)Nc1c(C)c(C)nn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000825051482 609586354 /nfs/dbraw/zinc/58/63/54/609586354.db2.gz QCFCUAXMLKYZEF-VXGBXAGGSA-N -1 3 367.457 3.290 20 0 FGADHM CC[C@H]1C[C@H](C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CCO1 ZINC000825184503 609588938 /nfs/dbraw/zinc/58/89/38/609588938.db2.gz VLSSTAWDAJKHOA-KOLCDFICSA-N -1 3 369.347 3.029 20 0 FGADHM CC[C@H]1C[C@H](C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CCO1 ZINC000825184503 609588940 /nfs/dbraw/zinc/58/89/40/609588940.db2.gz VLSSTAWDAJKHOA-KOLCDFICSA-N -1 3 369.347 3.029 20 0 FGADHM CSCCCCCCNC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826228273 609609323 /nfs/dbraw/zinc/60/93/23/609609323.db2.gz KEHUAEWEPJYYEA-CYBMUJFWSA-N -1 3 362.503 3.150 20 0 FGADHM CSCCCCCCNC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826228273 609609325 /nfs/dbraw/zinc/60/93/25/609609325.db2.gz KEHUAEWEPJYYEA-CYBMUJFWSA-N -1 3 362.503 3.150 20 0 FGADHM COc1ccc(C)cc1CC(=O)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826189704 609612806 /nfs/dbraw/zinc/61/28/06/609612806.db2.gz BWTCSMCJWWGWSB-UHFFFAOYSA-N -1 3 372.812 3.123 20 0 FGADHM COc1ccc(C)cc1CC(=O)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826189704 609612807 /nfs/dbraw/zinc/61/28/07/609612807.db2.gz BWTCSMCJWWGWSB-UHFFFAOYSA-N -1 3 372.812 3.123 20 0 FGADHM Cc1n[n-]c(C)c1S(=O)(=O)Oc1ccc(C(=O)c2ccccc2)cc1 ZINC000010491195 695590684 /nfs/dbraw/zinc/59/06/84/695590684.db2.gz WCXMGBPBWCNETB-UHFFFAOYSA-N -1 3 356.403 3.025 20 0 FGADHM Cc1n[n-]c(C)c1S(=O)(=O)Oc1ccc2c(c1)oc(=O)cc2C(C)C ZINC000010494952 695591084 /nfs/dbraw/zinc/59/10/84/695591084.db2.gz FWPUKIFXDHVAQO-UHFFFAOYSA-N -1 3 362.407 3.024 20 0 FGADHM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2ncccc2O)cc1 ZINC000022264374 695651517 /nfs/dbraw/zinc/65/15/17/695651517.db2.gz AHCLRVNFQAGDJS-UHFFFAOYSA-N -1 3 355.423 3.046 20 0 FGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1nc(Cl)ccc1Cl ZINC000024890927 695670972 /nfs/dbraw/zinc/67/09/72/695670972.db2.gz NSNZJDHHXVREFR-UHFFFAOYSA-N -1 3 360.222 3.012 20 0 FGADHM Cc1ccc(OCCCC(=O)Nc2ccccc2[N-]S(C)(=O)=O)cc1 ZINC000024883686 695671013 /nfs/dbraw/zinc/67/10/13/695671013.db2.gz BNBKCXCKKZIVSI-UHFFFAOYSA-N -1 3 362.451 3.164 20 0 FGADHM O=C(CSc1ccccc1Cl)N[N-]C(=O)c1ccc2ccccc2n1 ZINC000027684834 695695978 /nfs/dbraw/zinc/69/59/78/695695978.db2.gz VFFHEIHJOFRYQX-UHFFFAOYSA-N -1 3 371.849 3.442 20 0 FGADHM O=C([N-]c1nnc(C2CCCCC2)s1)c1cn(-c2ccccc2)nn1 ZINC000028978915 695707570 /nfs/dbraw/zinc/70/75/70/695707570.db2.gz TVESAJWLQFNDLP-UHFFFAOYSA-N -1 3 354.439 3.419 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]c2cccc(CN3CCCC3=O)c2)c(C)c1 ZINC000030531157 695724325 /nfs/dbraw/zinc/72/43/25/695724325.db2.gz AOXSWHCZASRJRE-UHFFFAOYSA-N -1 3 358.463 3.227 20 0 FGADHM C[C@@H]1C[C@H]1CNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000032394217 695743164 /nfs/dbraw/zinc/74/31/64/695743164.db2.gz NJNDLSXPPFUROB-OCCSQVGLSA-N -1 3 362.426 3.012 20 0 FGADHM C[C@@H]1C[C@H]1CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000032394201 695743270 /nfs/dbraw/zinc/74/32/70/695743270.db2.gz QKNNVKWZEPXJRP-OCCSQVGLSA-N -1 3 362.426 3.012 20 0 FGADHM CCN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)C1CCCC1 ZINC000045919341 695828814 /nfs/dbraw/zinc/82/88/14/695828814.db2.gz UAXPLSCYZDAAIH-UHFFFAOYSA-N -1 3 370.490 3.307 20 0 FGADHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(CCCCC)C(C)C)ccc1F ZINC000046223024 695835736 /nfs/dbraw/zinc/83/57/36/695835736.db2.gz LUQNMCPDPHGOAU-UHFFFAOYSA-N -1 3 370.490 3.331 20 0 FGADHM O=C(OCc1ccc(Cl)s1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000046332308 695837433 /nfs/dbraw/zinc/83/74/33/695837433.db2.gz IGRJZEJXEWGTIB-CYBMUJFWSA-N -1 3 365.838 3.455 20 0 FGADHM O=C(N[N-]C(=O)c1cc(Cl)ccc1Cl)Nc1ccc2c(c1)OCO2 ZINC000053958763 695936031 /nfs/dbraw/zinc/93/60/31/695936031.db2.gz QQHYLKNVYXYYTE-UHFFFAOYSA-N -1 3 368.176 3.189 20 0 FGADHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(N(C)C(C)=O)c2)c(C)c1 ZINC000075082306 700205070 /nfs/dbraw/zinc/20/50/70/700205070.db2.gz ILMXPZMGVBLHDV-UHFFFAOYSA-N -1 3 362.451 3.096 20 0 FGADHM C[C@@H]1CC[C@@H](C)N(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)C1 ZINC000075291628 700207319 /nfs/dbraw/zinc/20/73/19/700207319.db2.gz JBYHMUVHIRHCJX-CHWSQXEVSA-N -1 3 370.490 3.163 20 0 FGADHM CC(C)(C)OC(=O)NCCC(=O)Nc1ccc(Br)cc1[O-] ZINC000075664606 700216457 /nfs/dbraw/zinc/21/64/57/700216457.db2.gz UZIXKRNZNCFMIO-UHFFFAOYSA-N -1 3 359.220 3.008 20 0 FGADHM CC[C@]1(C)CCCN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)C1 ZINC000081321340 700332448 /nfs/dbraw/zinc/33/24/48/700332448.db2.gz PGBYSGQQUDJSSB-GOSISDBHSA-N -1 3 370.490 3.165 20 0 FGADHM O=C([N-]CCCN1CCc2[nH]c3ccc(Cl)cc3c2C1)C(F)(F)F ZINC000091618912 700422737 /nfs/dbraw/zinc/42/27/37/700422737.db2.gz MXEDBRFBWQTDPZ-UHFFFAOYSA-N -1 3 359.779 3.248 20 0 FGADHM O=C(CCCc1ccccc1)[N-]OCC(=O)NCc1cccc(Cl)c1 ZINC000104053846 700491963 /nfs/dbraw/zinc/49/19/63/700491963.db2.gz CDGNKGUQMATFIB-UHFFFAOYSA-N -1 3 360.841 3.027 20 0 FGADHM COc1ccc(CC(=O)[N-]OCc2c(F)cccc2Cl)cc1OC ZINC000112336415 700558634 /nfs/dbraw/zinc/55/86/34/700558634.db2.gz NUAORDJFMLTAED-UHFFFAOYSA-N -1 3 353.777 3.287 20 0 FGADHM Cc1nonc1[N-]C(=O)c1cc(Br)sc1Br ZINC000116636949 700595912 /nfs/dbraw/zinc/59/59/12/700595912.db2.gz QDQYIFAGEZBVHO-UHFFFAOYSA-N -1 3 367.022 3.217 20 0 FGADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]CC1(c2ccccc2Cl)CC1 ZINC000121711578 700678549 /nfs/dbraw/zinc/67/85/49/700678549.db2.gz LZTPFUPZOWCOJH-UHFFFAOYSA-N -1 3 374.293 3.045 20 0 FGADHM Cn1cc(S(=O)(=O)[N-][C@H](c2ccc(Cl)cc2)C2CC2)nc1Cl ZINC000123527127 700706019 /nfs/dbraw/zinc/70/60/19/700706019.db2.gz DFBUHZHEWVYJTN-ZDUSSCGKSA-N -1 3 360.266 3.157 20 0 FGADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)C[C@H](O)c2ccc(F)cc2)c(F)cc1F ZINC000123807000 700710068 /nfs/dbraw/zinc/71/00/68/700710068.db2.gz UKMPTDNPWORRCF-ZBEGNZNMSA-N -1 3 373.396 3.203 20 0 FGADHM C[C@H](C[C@@H](O)c1ccc(F)cc1)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000123865942 700711214 /nfs/dbraw/zinc/71/12/14/700711214.db2.gz VUKVXVIHGLRTJW-BXKDBHETSA-N -1 3 363.863 3.331 20 0 FGADHM Cn1cc(S(=O)(=O)[N-][C@H](c2ccc(F)cc2)C2CCC2)nc1Cl ZINC000123967134 700713001 /nfs/dbraw/zinc/71/30/01/700713001.db2.gz RPCZLABKWIJPNS-AWEZNQCLSA-N -1 3 357.838 3.032 20 0 FGADHM C[C@@H](OC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)c1cc(F)cc(F)c1 ZINC000133172480 700835749 /nfs/dbraw/zinc/83/57/49/700835749.db2.gz XHJFTNZJPHSCPT-SECBINFHSA-N -1 3 373.352 3.393 20 0 FGADHM Cc1ccc([N-]S(=O)(=O)c2cc(F)ccc2F)c(Br)n1 ZINC000135242250 704841047 /nfs/dbraw/zinc/84/10/47/704841047.db2.gz WMPZAAIWNJHJJH-UHFFFAOYSA-N -1 3 363.183 3.232 20 0 FGADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)[C@@H]1C[C@H]1c1ccccc1Cl ZINC000135566120 704849281 /nfs/dbraw/zinc/84/92/81/704849281.db2.gz IEOVGPNAMUKMRD-LSDHHAIUSA-N -1 3 353.813 3.186 20 0 FGADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)[C@@H]1C[C@H]1c1ccccc1Cl ZINC000135566120 704849287 /nfs/dbraw/zinc/84/92/87/704849287.db2.gz IEOVGPNAMUKMRD-LSDHHAIUSA-N -1 3 353.813 3.186 20 0 FGADHM COc1cc(Br)cc(C)c1NC([O-])=NO[C@H]1CCCCO1 ZINC000152829138 704975171 /nfs/dbraw/zinc/97/51/71/704975171.db2.gz YQSQJCJHIDSFEL-LBPRGKRZSA-N -1 3 359.220 3.346 20 0 FGADHM COc1cc(Br)cc(C)c1NC(=O)[N-]O[C@H]1CCCCO1 ZINC000152829138 704975174 /nfs/dbraw/zinc/97/51/74/704975174.db2.gz YQSQJCJHIDSFEL-LBPRGKRZSA-N -1 3 359.220 3.346 20 0 FGADHM CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000153585540 705005139 /nfs/dbraw/zinc/00/51/39/705005139.db2.gz HYVIQDFXQIEKRH-SFHVURJKSA-N -1 3 360.841 3.368 20 0 FGADHM CSCC[C@@H](C)NC(=O)N[N-]C(=O)c1ccc(Cl)cc1Cl ZINC000153974600 705018196 /nfs/dbraw/zinc/01/81/96/705018196.db2.gz RSWRVZWLCJJGLW-MRVPVSSYSA-N -1 3 350.271 3.079 20 0 FGADHM CC[C@@H](OC(=O)Cc1c(C)nc(C)[n-]c1=O)c1ccc(Cl)cc1F ZINC000154292123 705028940 /nfs/dbraw/zinc/02/89/40/705028940.db2.gz WTLFPEBXMZCIBY-OAHLLOKOSA-N -1 3 352.793 3.416 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCOC[C@@H]3C)cc2)cc1F ZINC000154551156 705038699 /nfs/dbraw/zinc/03/86/99/705038699.db2.gz LALOVWUPBCZRDA-AWEZNQCLSA-N -1 3 364.442 3.160 20 0 FGADHM COc1ccc(N[C@H]2CCc3c2cc(F)cc3F)cc1[N-]S(C)(=O)=O ZINC000154553586 705038811 /nfs/dbraw/zinc/03/88/11/705038811.db2.gz DKWNYZKXLYOPAT-HNNXBMFYSA-N -1 3 368.405 3.444 20 0 FGADHM CC(C)(C)OC(=O)N1CCC(CC(=O)[N-]OCCC(F)(F)F)CC1 ZINC000155056138 705061281 /nfs/dbraw/zinc/06/12/81/705061281.db2.gz TXNKTYCRJBOUGD-UHFFFAOYSA-N -1 3 354.369 3.024 20 0 FGADHM CC1(C)CCCC[C@H]1NC(=O)N[N-]C(=O)c1ccccc1Br ZINC000156605200 705124533 /nfs/dbraw/zinc/12/45/33/705124533.db2.gz QPVYWMHMOJAWCZ-CYBMUJFWSA-N -1 3 368.275 3.362 20 0 FGADHM Cc1cc(C)c(Br)c(C(=O)[N-]n2cnc3ccccc3c2=O)c1 ZINC000157302779 705150924 /nfs/dbraw/zinc/15/09/24/705150924.db2.gz XAJYXZHDPSOSNV-UHFFFAOYSA-N -1 3 372.222 3.160 20 0 FGADHM Cc1c([O-])ccc2c(CN3CCO[C@H](c4cccs4)C3)cc(=O)oc12 ZINC000157371825 705152333 /nfs/dbraw/zinc/15/23/33/705152333.db2.gz RXIJWYPKJNBLJP-INIZCTEOSA-N -1 3 357.431 3.442 20 0 FGADHM CCCSCC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000158031466 705170416 /nfs/dbraw/zinc/17/04/16/705170416.db2.gz KLLYTQZNSKTZAW-OAHLLOKOSA-N -1 3 356.919 3.269 20 0 FGADHM CCCOC(=O)[C@@H](C)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000159329301 705220246 /nfs/dbraw/zinc/22/02/46/705220246.db2.gz UBHAVEULQNDFHP-GFCCVEGCSA-N -1 3 368.861 3.038 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)c1cc(C(=O)OC)ccc1Cl)c1nccs1 ZINC000159923254 705237895 /nfs/dbraw/zinc/23/78/95/705237895.db2.gz SLVJHSKMSYOCTD-NSHDSACASA-N -1 3 374.871 3.013 20 0 FGADHM CC(C)(C)C(=O)NCCCC(=O)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000160712985 705259782 /nfs/dbraw/zinc/25/97/82/705259782.db2.gz BSONOJZWJVBJDE-UHFFFAOYSA-N -1 3 360.376 3.196 20 0 FGADHM CCc1nc([C@@H](C)[N-]S(=O)(=O)c2ccc(Cl)nc2Cl)cs1 ZINC000171779584 705395214 /nfs/dbraw/zinc/39/52/14/705395214.db2.gz FZTBDTGENYYOIM-SSDOTTSWSA-N -1 3 366.295 3.447 20 0 FGADHM CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2cc(Cl)ccc2[O-])c1 ZINC000179459376 705702875 /nfs/dbraw/zinc/70/28/75/705702875.db2.gz NPOVFKLIEHYEDZ-UHFFFAOYSA-N -1 3 357.790 3.231 20 0 FGADHM O=C(Nc1ccc(Cl)cc1[O-])[C@@H]1CCCC[C@@H]1C(=O)N1CCCC1 ZINC000179639210 705708153 /nfs/dbraw/zinc/70/81/53/705708153.db2.gz JGUJSBCPJWGWJT-KGLIPLIRSA-N -1 3 350.846 3.413 20 0 FGADHM [O-]c1c(Cl)cccc1CN1CCN(CCCOCC(F)(F)F)CC1 ZINC000179858327 705718695 /nfs/dbraw/zinc/71/86/95/705718695.db2.gz OSCQLNFZXJARKL-UHFFFAOYSA-N -1 3 366.811 3.132 20 0 FGADHM Cc1cc(C)[n-]c(=NNC(=O)Nc2ccc(Cl)c(OC(F)F)c2)n1 ZINC000180118729 705728743 /nfs/dbraw/zinc/72/87/43/705728743.db2.gz JGEGTXBLRFQNBU-UHFFFAOYSA-N -1 3 357.748 3.497 20 0 FGADHM O=C(Nc1ccc2cccc(Cl)c2n1)c1nnc2ccccc2c1[O-] ZINC000181337672 705787368 /nfs/dbraw/zinc/78/73/68/705787368.db2.gz BUWNQHWPZOZAIT-UHFFFAOYSA-N -1 3 350.765 3.377 20 0 FGADHM COc1ccc(Br)c(C(=O)[N-]NC(=O)C[C@@H]2CCC[C@@H]2C)c1 ZINC000184704642 712675293 /nfs/dbraw/zinc/67/52/93/712675293.db2.gz VPYBJOFEKNGCDH-QWRGUYRKSA-N -1 3 369.259 3.045 20 0 FGADHM COc1ccc2c(c1)C=C(S(=O)(=O)[N-]c1nc3ccccc3[nH]1)CC2 ZINC000185610811 712697987 /nfs/dbraw/zinc/69/79/87/712697987.db2.gz IMZAFNUSJLZBPG-UHFFFAOYSA-N -1 3 355.419 3.301 20 0 FGADHM C[C@H](OC(=O)[C@@H]([N-]S(C)(=O)=O)C(C)(C)C)c1cccc(Cl)c1F ZINC000186346934 712715962 /nfs/dbraw/zinc/71/59/62/712715962.db2.gz BGYQNQMMCZSHER-TVQRCGJNSA-N -1 3 365.854 3.047 20 0 FGADHM Cc1cc(C(F)(F)F)ccc1CNC(=O)NN=c1cncc(Cl)[n-]1 ZINC000190555717 712817232 /nfs/dbraw/zinc/81/72/32/712817232.db2.gz JUVUJAPRBFKTOD-UHFFFAOYSA-N -1 3 359.739 3.284 20 0 FGADHM CS(=O)(=O)Cc1cccc(CNCc2c([O-])ccc(Cl)c2F)c1 ZINC000190914285 712826731 /nfs/dbraw/zinc/82/67/31/712826731.db2.gz FDRSFUFILVJFIY-UHFFFAOYSA-N -1 3 357.834 3.019 20 0 FGADHM CC[C@H](C(=O)N[N-]C(=O)c1ccncc1C(F)(F)F)c1ccccc1 ZINC000193084015 712881943 /nfs/dbraw/zinc/88/19/43/712881943.db2.gz MJDIWLXAJNTETD-LBPRGKRZSA-N -1 3 351.328 3.055 20 0 FGADHM N#Cc1cc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2F)ccc1Cl ZINC000193821932 713500844 /nfs/dbraw/zinc/50/08/44/713500844.db2.gz JGOBKYJGFLOQFW-UHFFFAOYSA-N -1 3 355.734 3.060 20 0 FGADHM COc1ccccc1CC(=O)[N-]OCc1ccc(F)cc1Br ZINC000195222386 713549982 /nfs/dbraw/zinc/54/99/82/713549982.db2.gz QCAIJXSBYMNEBM-UHFFFAOYSA-N -1 3 368.202 3.387 20 0 FGADHM O=C([O-])CC[C@H](Cc1ccccc1)NCc1ncc(Br)s1 ZINC000263479808 713747095 /nfs/dbraw/zinc/74/70/95/713747095.db2.gz GCLWRJFETOWQNP-GFCCVEGCSA-N -1 3 369.284 3.471 20 0 FGADHM CC[C@@]1(C(=O)[O-])CCCN(Cc2cc(Br)cc3c2OCC3)C1 ZINC000317631362 713807763 /nfs/dbraw/zinc/80/77/63/713807763.db2.gz YBTFNFTVIWQPAU-QGZVFWFLSA-N -1 3 368.271 3.461 20 0 FGADHM CC(C)C[C@@H](O)C[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000318502641 713809013 /nfs/dbraw/zinc/80/90/13/713809013.db2.gz FMFDFNKPBIQBJA-SNVBAGLBSA-N -1 3 359.797 3.044 20 0 FGADHM O=S(=O)(CCCC(F)(F)F)[N-]c1ncccc1N1CCCCC1 ZINC000375071065 713964904 /nfs/dbraw/zinc/96/49/04/713964904.db2.gz LHEBACIHKZFIQB-UHFFFAOYSA-N -1 3 351.394 3.156 20 0 FGADHM CCNc1nc(C(=O)[N-]c2nnc(-c3ccc(Cl)cc3)s2)cs1 ZINC000427138937 714019457 /nfs/dbraw/zinc/01/94/57/714019457.db2.gz AGEXZVKJLALTHY-UHFFFAOYSA-N -1 3 365.871 3.421 20 0 FGADHM Cc1ccc(Br)cc1NC(=O)c1cc2c(cc1[O-])OCO2 ZINC000436561102 714026584 /nfs/dbraw/zinc/02/65/84/714026584.db2.gz HWSQGIPOJZPPJM-UHFFFAOYSA-N -1 3 350.168 3.444 20 0 FGADHM O=C(Nc1ccc(F)cc1OCC(F)F)c1cc2c(cc1[O-])OCO2 ZINC000436789757 714027264 /nfs/dbraw/zinc/02/72/64/714027264.db2.gz CZVLWWUNTSBYQR-UHFFFAOYSA-N -1 3 355.268 3.156 20 0 FGADHM CCc1ccc(CC[N-]S(=O)(=O)c2cnccc2C(F)(F)F)cc1 ZINC000442766534 714030585 /nfs/dbraw/zinc/03/05/85/714030585.db2.gz WRKGYUUVRLWALE-UHFFFAOYSA-N -1 3 358.385 3.184 20 0 FGADHM NC(=O)CSc1ccccc1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000471627257 714081216 /nfs/dbraw/zinc/08/12/16/714081216.db2.gz QXQSXMWTKCQPIV-UHFFFAOYSA-N -1 3 352.415 3.375 20 0 FGADHM CS(=O)(=O)[N-]c1ccc(-c2nc(Cc3ccc(Cl)cc3)no2)cc1 ZINC000521903945 714155463 /nfs/dbraw/zinc/15/54/63/714155463.db2.gz PXEVYSLZTVUCSV-UHFFFAOYSA-N -1 3 363.826 3.352 20 0 FGADHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@H](C)Sc1cc(Cl)ccc1Cl ZINC000522261782 714179177 /nfs/dbraw/zinc/17/91/77/714179177.db2.gz CVYNXDAAOLYDQY-ONGXEEELSA-N -1 3 374.293 3.102 20 0 FGADHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000524410918 714282176 /nfs/dbraw/zinc/28/21/76/714282176.db2.gz RCURVSJDGHHYMX-CYBMUJFWSA-N -1 3 361.854 3.310 20 0 FGADHM O=C(N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1)C1CC=CC1 ZINC000525390930 714349876 /nfs/dbraw/zinc/34/98/76/714349876.db2.gz NCNAIRDJXOBKRI-UHFFFAOYSA-N -1 3 350.191 3.305 20 0 FGADHM CSc1nc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2OC(F)(F)F)n[n-]1 ZINC000525458138 714354532 /nfs/dbraw/zinc/35/45/32/714354532.db2.gz SRXLWLZZMLIRKD-RKDXNWHRSA-N -1 3 358.345 3.167 20 0 FGADHM Cc1nc(-c2ccccc2)sc1C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000525968038 714391773 /nfs/dbraw/zinc/39/17/73/714391773.db2.gz JLQJHVURPASYAH-CQSZACIVSA-N -1 3 354.435 3.367 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1cc2ccccc2o1)[C@@H](c1ccccc1)N(C)C ZINC000526335029 714409819 /nfs/dbraw/zinc/40/98/19/714409819.db2.gz UNABTSJLAAMTEX-KUHUBIRLSA-N -1 3 358.463 3.403 20 0 FGADHM CC(C)c1nnc(C[S@](=O)Cc2cc(=O)[n-]c(-c3ccccc3)n2)s1 ZINC000574906121 714454607 /nfs/dbraw/zinc/45/46/07/714454607.db2.gz VKDITHAAIMUIDT-RUZDIDTESA-N -1 3 374.491 3.273 20 0 FGADHM CSc1ccc([O-])c(C(=O)N2CCN(CC(F)(F)F)C[C@@H](C)C2)c1 ZINC000615992868 714561357 /nfs/dbraw/zinc/56/13/57/714561357.db2.gz KLMLMJGQBBBZGA-LLVKDONJSA-N -1 3 362.417 3.070 20 0 FGADHM CSc1ccc([O-])c(C(=O)N(C)C2CCN(CC(F)(F)F)CC2)c1 ZINC000616137054 714570916 /nfs/dbraw/zinc/57/09/16/714570916.db2.gz YACMVXDZHJJJCT-UHFFFAOYSA-N -1 3 362.417 3.213 20 0 FGADHM COc1ccccc1-c1cc(=NC(=O)CSc2ccc(F)cc2)[nH][n-]1 ZINC000621653523 715014469 /nfs/dbraw/zinc/01/44/69/715014469.db2.gz LYUVGMATKKMHGU-UHFFFAOYSA-N -1 3 357.410 3.377 20 0 FGADHM COC[C@@H](Cc1ccccc1)NC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621897189 715034485 /nfs/dbraw/zinc/03/44/85/715034485.db2.gz QUTAGVQLGZSAAS-OAHLLOKOSA-N -1 3 353.340 3.399 20 0 FGADHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N1CCC([C@H](O)C(F)(F)F)CC1 ZINC000621918997 715036715 /nfs/dbraw/zinc/03/67/15/715036715.db2.gz UUNZSOQTQLBTBJ-LBPRGKRZSA-N -1 3 371.277 3.186 20 0 FGADHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000622048688 715049935 /nfs/dbraw/zinc/04/99/35/715049935.db2.gz SJADTMMWJLKXGX-BXKDBHETSA-N -1 3 371.277 3.044 20 0 FGADHM CCc1ccc(C(=O)NCCOc2ncccc2C(F)(F)F)c([O-])c1 ZINC000622456277 715075293 /nfs/dbraw/zinc/07/52/93/715075293.db2.gz WTZZWUXTIOEQCY-UHFFFAOYSA-N -1 3 354.328 3.177 20 0 FGADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Br)[C@@H]1CCC[C@H]2C[C@H]21 ZINC000622887403 715103313 /nfs/dbraw/zinc/10/33/13/715103313.db2.gz VBIFXHAVCFHDBR-DJLDLDEBSA-N -1 3 366.181 3.005 20 0 FGADHM Cc1nc([C@H]2CCCCN2C(=O)c2cc([O-])cc(C(F)(F)F)c2)no1 ZINC000623019142 715159453 /nfs/dbraw/zinc/15/94/53/715159453.db2.gz IRHDSTZCUYHZNK-CYBMUJFWSA-N -1 3 355.316 3.470 20 0 FGADHM Cc1nc([C@@H]2CCCCN2C(=O)c2cc([O-])cc(C(F)(F)F)c2)no1 ZINC000623019143 715159489 /nfs/dbraw/zinc/15/94/89/715159489.db2.gz IRHDSTZCUYHZNK-ZDUSSCGKSA-N -1 3 355.316 3.470 20 0 FGADHM C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)N=c2cc(-c3cccc(Cl)c3)[n-][nH]2)C1 ZINC000623189209 715295218 /nfs/dbraw/zinc/29/52/18/715295218.db2.gz YKTKCAPCKPOPCN-YGRLFVJLSA-N -1 3 355.829 3.180 20 0 FGADHM COc1ccc(NC/C=C/c2ccc(F)cc2F)cc1[N-]S(C)(=O)=O ZINC000802640705 724393509 /nfs/dbraw/zinc/39/35/09/724393509.db2.gz RVQFREOLIYXMAW-ONEGZZNKSA-N -1 3 368.405 3.470 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]Cc2ccc3c(n2)CCCC3)c(F)c1F ZINC000625154395 715672681 /nfs/dbraw/zinc/67/26/81/715672681.db2.gz FWISATQIWKEFGN-UHFFFAOYSA-N -1 3 352.406 3.026 20 0 FGADHM CCC(F)(F)C(C)(C)CS(=O)(=O)[N-][C@@H](c1ccccc1F)[C@H](C)O ZINC000625266624 715695324 /nfs/dbraw/zinc/69/53/24/715695324.db2.gz GXQNAZQTYDTQPD-SMDDNHRTSA-N -1 3 367.433 3.239 20 0 FGADHM CCC[C@H](C[N-]S(=O)(=O)c1cc(F)ccc1Br)OCC ZINC000625330384 715707102 /nfs/dbraw/zinc/70/71/02/715707102.db2.gz GCBGSWDXDVLHAX-LLVKDONJSA-N -1 3 368.268 3.072 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-][C@H](c2ccccn2)C2CCC2)c(F)c1F ZINC000625405445 715724558 /nfs/dbraw/zinc/72/45/58/715724558.db2.gz ILRRURSRKKBJKF-KRWDZBQOSA-N -1 3 352.406 3.488 20 0 FGADHM CCc1ncc(S(=O)(=O)[N-][C@H]2CC[C@H](OCCC(C)C)CC2)s1 ZINC000625453324 715734483 /nfs/dbraw/zinc/73/44/83/715734483.db2.gz JAQFWRKVDMNQFI-HDJSIYSDSA-N -1 3 360.545 3.358 20 0 FGADHM O=S(=O)([N-][C@H]1CO[C@H](C2CC2)C1)c1ccc(Cl)cc1C(F)(F)F ZINC000625584205 715756384 /nfs/dbraw/zinc/75/63/84/715756384.db2.gz VEJLEQVYPZASBQ-PWSUYJOCSA-N -1 3 369.792 3.205 20 0 FGADHM O=C(c1cc(=O)[n-]cn1)N1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000626038700 715833819 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CO[C@H]1CCCC[C@H]1S(=O)(=O)[N-]c1cccc(OC(F)(F)F)c1 ZINC000647921275 718387337 /nfs/dbraw/zinc/38/73/37/718387337.db2.gz CQSXXGYVXQHWMH-QWHCGFSZSA-N -1 3 353.362 3.285 20 0 FGADHM CO[C@@](C)(C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl)c1ccccc1 ZINC000648432599 718426247 /nfs/dbraw/zinc/42/62/47/718426247.db2.gz ASGJCLCPYVSQNO-CQSZACIVSA-N -1 3 361.751 3.021 20 0 FGADHM CC(C)c1nc(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)cs1 ZINC000648432635 718426301 /nfs/dbraw/zinc/42/63/01/718426301.db2.gz CJGJCZURXUERMP-UHFFFAOYSA-N -1 3 352.769 3.353 20 0 FGADHM C[C@@H](Oc1ccc(F)cc1)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000648433833 718426626 /nfs/dbraw/zinc/42/66/26/718426626.db2.gz QFEFEYGBCBIVMC-MRVPVSSYSA-N -1 3 365.714 3.066 20 0 FGADHM Cc1ccc2cc(Cl)cc(C(=O)N=c3cc([C@H]4CCCO4)[n-][nH]3)c2n1 ZINC000649218617 718493241 /nfs/dbraw/zinc/49/32/41/718493241.db2.gz RRNFDZJRCMYROI-OAHLLOKOSA-N -1 3 356.813 3.445 20 0 FGADHM O=C(NCc1ccc([O-])c(Br)c1)N1CC[C@@]2(CC2(F)F)C1 ZINC000650974345 718751106 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COC[C@@H](CC(C)(C)C)NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000654496264 719208559 /nfs/dbraw/zinc/20/85/59/719208559.db2.gz OFIYVZRYKBXJTL-GFCCVEGCSA-N -1 3 373.291 3.405 20 0 FGADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000655338793 719284540 /nfs/dbraw/zinc/28/45/40/719284540.db2.gz WBQGGUDZSRYVNP-SWLSCSKDSA-N -1 3 363.351 3.470 20 0 FGADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C)c2)cc1CO ZINC000655562911 719305544 /nfs/dbraw/zinc/30/55/44/719305544.db2.gz WDMSZNTYIKJEMH-UHFFFAOYSA-N -1 3 355.843 3.340 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]c2ccc(OCCCO)cc2)ccc1Cl ZINC000655581758 719309244 /nfs/dbraw/zinc/30/92/44/719309244.db2.gz OCKONSWTMHDRMX-UHFFFAOYSA-N -1 3 355.843 3.210 20 0 FGADHM Cc1cc(S(=O)(=O)[N-][C@@H](C[C@@H]2CCCO2)C(F)(F)F)cc(C)c1F ZINC000655661497 719320672 /nfs/dbraw/zinc/32/06/72/719320672.db2.gz FIBWOEFBRPMUBP-AAEUAGOBSA-N -1 3 369.380 3.221 20 0 FGADHM O=S(=O)([N-]Cc1nc([C@@H]2CCC[C@@H]3C[C@@H]32)no1)c1ccc(Cl)s1 ZINC000656043728 719358613 /nfs/dbraw/zinc/35/86/13/719358613.db2.gz BQVPOHZWEOKHRR-BBBLOLIVSA-N -1 3 373.887 3.167 20 0 FGADHM CCCC(=O)NC1CCN(Cc2cccc([O-])c2Br)CC1 ZINC000656420815 719392616 /nfs/dbraw/zinc/39/26/16/719392616.db2.gz QEYUBPCFPSJWTC-UHFFFAOYSA-N -1 3 355.276 3.035 20 0 FGADHM CO[C@@H](CS(=O)(=O)[N-]c1cc(Cl)c(C)c(Cl)c1)[C@@H]1CCOC1 ZINC000656619735 719421690 /nfs/dbraw/zinc/42/16/90/719421690.db2.gz TUXRNRDKKGCSKH-YGRLFVJLSA-N -1 3 368.282 3.095 20 0 FGADHM CCn1ncc2ccc([N-]S(=O)(=O)C[C@H](OC)C3CCCC3)cc21 ZINC000656620085 719421768 /nfs/dbraw/zinc/42/17/68/719421768.db2.gz XFZBDYAUAKXQJW-KRWDZBQOSA-N -1 3 351.472 3.003 20 0 FGADHM CC1CCC2(CC1)NC(=O)N(Cc1ccc([O-])c(Br)c1)C2=O ZINC000656812648 719476552 /nfs/dbraw/zinc/47/65/52/719476552.db2.gz QRRDOBBJDOPNBC-UHFFFAOYSA-N -1 3 367.243 3.155 20 0 FGADHM CO[C@@H](CS(=O)(=O)[N-][C@@H](c1nc(C)cs1)C1CC1)C1CCCC1 ZINC000656920186 719509194 /nfs/dbraw/zinc/50/91/94/719509194.db2.gz XIOLYOLGDVLIAK-LSDHHAIUSA-N -1 3 358.529 3.027 20 0 FGADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@@H]2CCC[C@H](C)O2)s1 ZINC000657155190 719577036 /nfs/dbraw/zinc/57/70/36/719577036.db2.gz OJNVVLUHXRSIQV-WPRPVWTQSA-N -1 3 368.318 3.055 20 0 FGADHM O=S(=O)([N-][C@@H]1CC[C@@H]1c1ccccc1)c1cnccc1C(F)(F)F ZINC000657195849 719593985 /nfs/dbraw/zinc/59/39/85/719593985.db2.gz JAVVGJIQUDPURH-TZMCWYRMSA-N -1 3 356.369 3.325 20 0 FGADHM CCC(CC)c1cc(C[N-]S(=O)(=O)c2ccc(F)cc2OC)on1 ZINC000659914509 719956145 /nfs/dbraw/zinc/95/61/45/719956145.db2.gz NFPSMIBCFXTZPL-UHFFFAOYSA-N -1 3 356.419 3.204 20 0 FGADHM COc1cccc(CN2CCN(C(=O)c3ccc([O-])cc3)CC2)c1Cl ZINC000660030789 719976747 /nfs/dbraw/zinc/97/67/47/719976747.db2.gz UMNNSFQFYBLKKO-UHFFFAOYSA-N -1 3 360.841 3.012 20 0 FGADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H](C(C)C)C2CC2)cc1Cl ZINC000660045300 719979704 /nfs/dbraw/zinc/97/97/04/719979704.db2.gz WDOLBQSDNOXVRB-HNNXBMFYSA-N -1 3 362.854 3.150 20 0 FGADHM Cc1cc(=O)[n-]c(C(C)(C)NCc2ccc(Br)c(F)c2)n1 ZINC000660748377 720112045 /nfs/dbraw/zinc/11/20/45/720112045.db2.gz 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O=S(=O)([N-]Cc1ccc(Cl)o1)c1c(F)cccc1OC(F)(F)F ZINC000672374094 721631413 /nfs/dbraw/zinc/63/14/13/721631413.db2.gz UJZCUJTWBNFNHD-UHFFFAOYSA-N -1 3 373.711 3.449 20 0 FGADHM Cc1cccc(C(=O)N[C@H](C)[C@H](C)C(=O)Nc2ncccc2[O-])c1Cl ZINC000673505357 721664415 /nfs/dbraw/zinc/66/44/15/721664415.db2.gz WGQCQHHJVWAGQP-NWDGAFQWSA-N -1 3 361.829 3.142 20 0 FGADHM Cc1ccc(C(=O)N[C@H](C)[C@@H](C)C(=O)Nc2ncccc2[O-])cc1Cl ZINC000673502597 721664420 /nfs/dbraw/zinc/66/44/20/721664420.db2.gz DQKUTMADRXXVRQ-VXGBXAGGSA-N -1 3 361.829 3.142 20 0 FGADHM Cc1cccn2cc(CC(=O)Nc3cc(Br)ccc3[O-])nc12 ZINC000674744488 721708571 /nfs/dbraw/zinc/70/85/71/721708571.db2.gz GUFWIVNIGODZBM-UHFFFAOYSA-N -1 3 360.211 3.292 20 0 FGADHM C[C@H](CNC(=O)NCc1ccc([O-])c(Br)c1)c1ccncc1 ZINC000675823949 721776061 /nfs/dbraw/zinc/77/60/61/721776061.db2.gz IQRQMTYUQGEBMY-LLVKDONJSA-N -1 3 364.243 3.153 20 0 FGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)NC(C(C)C)C(C)C)cc1OC ZINC000676240926 721792820 /nfs/dbraw/zinc/79/28/20/721792820.db2.gz 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/nfs/dbraw/zinc/16/42/64/722164264.db2.gz BSWOUZUIJFWCTJ-UHFFFAOYSA-N -1 3 354.497 3.361 20 0 FGADHM O=C(c1c[n-]c2c(Cl)cc(Br)cc2c1=O)N1CC=CCC1 ZINC000683262045 722287796 /nfs/dbraw/zinc/28/77/96/722287796.db2.gz VZPBHNAMGPKDDE-UHFFFAOYSA-N -1 3 367.630 3.346 20 0 FGADHM O=S(=O)(Cc1cc(Cl)ccc1F)[N-]c1cnn(-c2ccncc2)c1 ZINC000683708158 722306297 /nfs/dbraw/zinc/30/62/97/722306297.db2.gz QNYYCIQYTZMXLM-UHFFFAOYSA-N -1 3 366.805 3.002 20 0 FGADHM Cc1cc(=O)[n-]c([C@H](C)N2CCc3sc(Br)cc3C2)n1 ZINC000684096494 722320942 /nfs/dbraw/zinc/32/09/42/722320942.db2.gz ZCJZIQZUQRTSMP-VIFPVBQESA-N -1 3 354.273 3.434 20 0 FGADHM Cc1cccnc1C(C)(C)C[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000685608064 722394012 /nfs/dbraw/zinc/39/40/12/722394012.db2.gz BTAVDMUCMRKLPY-UHFFFAOYSA-N -1 3 358.385 3.063 20 0 FGADHM Cc1cc(S(=O)(=O)[N-][C@H](C)c2ccns2)sc1Br ZINC000716394457 722417007 /nfs/dbraw/zinc/41/70/07/722417007.db2.gz NYVNSSFLPPLLTI-SSDOTTSWSA-N -1 3 367.315 3.315 20 0 FGADHM Cc1ccc2c(CC(=O)Nc3ccccc3[N-]S(C)(=O)=O)c[nH]c2c1 ZINC000726158418 722431051 /nfs/dbraw/zinc/43/10/51/722431051.db2.gz JHDKSMYWOGQOLN-UHFFFAOYSA-N -1 3 357.435 3.029 20 0 FGADHM O=S(=O)(/C=C/c1ccc(Cl)cc1)[N-]c1cnn(Cc2ccccn2)c1 ZINC000727113686 722441460 /nfs/dbraw/zinc/44/14/60/722441460.db2.gz UYRBBWIVCCDTRV-CSKARUKUSA-N -1 3 374.853 3.392 20 0 FGADHM C[C@@H]1C[C@H]1c1ccc(C[N-]S(=O)(=O)c2c(Cl)nc3sccn32)o1 ZINC000728580914 722452778 /nfs/dbraw/zinc/45/27/78/722452778.db2.gz BMNPNVPXBRLMJQ-PSASIEDQSA-N -1 3 371.871 3.244 20 0 FGADHM COc1ccccc1OCCOC(=O)c1cccc(Br)c1[O-] ZINC000730364106 722467806 /nfs/dbraw/zinc/46/78/06/722467806.db2.gz CCXDXYWLPXCDOT-UHFFFAOYSA-N -1 3 367.195 3.399 20 0 FGADHM CCCCc1noc(COC(=O)c2cccc(Br)c2[O-])n1 ZINC000730364082 722467835 /nfs/dbraw/zinc/46/78/35/722467835.db2.gz BODMAOBPICLTBE-UHFFFAOYSA-N -1 3 355.188 3.237 20 0 FGADHM O=C(COC(=O)C[C@@H]1CCCc2ccccc21)[N-]C(=O)c1cccs1 ZINC000731098174 722473380 /nfs/dbraw/zinc/47/33/80/722473380.db2.gz ONFSJZUQMSBOPQ-AWEZNQCLSA-N -1 3 357.431 3.058 20 0 FGADHM COc1cc(Cl)ccc1C[N-]C(=O)C(F)(F)Oc1ccc(C=O)cc1 ZINC000731639211 722476930 /nfs/dbraw/zinc/47/69/30/722476930.db2.gz PLOLQDVBVGGNOH-UHFFFAOYSA-N -1 3 369.751 3.449 20 0 FGADHM COc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccccc1CN(C)C ZINC000733868223 722501660 /nfs/dbraw/zinc/50/16/60/722501660.db2.gz XUGYHWFOCPUENO-UHFFFAOYSA-N -1 3 354.859 3.211 20 0 FGADHM Cc1ccc(Cl)cc1NC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000737343682 722526303 /nfs/dbraw/zinc/52/63/03/722526303.db2.gz SJYKMNBPTLFCTG-NSHDSACASA-N -1 3 357.801 3.235 20 0 FGADHM Cc1ccc(Cl)cc1NC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000737343682 722526304 /nfs/dbraw/zinc/52/63/04/722526304.db2.gz SJYKMNBPTLFCTG-NSHDSACASA-N -1 3 357.801 3.235 20 0 FGADHM O=S(=O)([N-]C[C@H]1CCOc2ccccc21)c1cnc(Cl)c(Cl)c1 ZINC000738377827 722530157 /nfs/dbraw/zinc/53/01/57/722530157.db2.gz MEBSNLDLCZOTGF-SNVBAGLBSA-N -1 3 373.261 3.233 20 0 FGADHM O=C(NCC1(c2cccc(Cl)c2)CC1)c1nnc2ccccc2c1[O-] ZINC000739766422 722533912 /nfs/dbraw/zinc/53/39/12/722533912.db2.gz QLFJSTLFWUIFAC-UHFFFAOYSA-N -1 3 353.809 3.450 20 0 FGADHM O=S(=O)([N-][C@@H]1C[C@@H]1c1c(F)cccc1Cl)c1cccnc1Cl ZINC000740894884 722539283 /nfs/dbraw/zinc/53/92/83/722539283.db2.gz YOEJKUJAFUKXJH-GZMMTYOYSA-N -1 3 361.225 3.362 20 0 FGADHM C[C@@]1(c2ccccc2)C[C@H]1[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000742311619 722555041 /nfs/dbraw/zinc/55/50/41/722555041.db2.gz DBIFXOQMGYXHEA-HIFRSBDPSA-N -1 3 357.262 3.397 20 0 FGADHM O=C(OCc1ccc(I)cc1)c1ccc([O-])cc1 ZINC000744476002 722577466 /nfs/dbraw/zinc/57/74/66/722577466.db2.gz WAASIIVOFPCYHN-UHFFFAOYSA-N -1 3 354.143 3.354 20 0 FGADHM O=C(Cc1ccc2c(c1)CCO2)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000746529423 722606763 /nfs/dbraw/zinc/60/67/63/722606763.db2.gz SBOWZVOWOMRHKA-UHFFFAOYSA-N -1 3 351.324 3.431 20 0 FGADHM COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2C)c(Cl)cc1Cl ZINC000747269047 722641193 /nfs/dbraw/zinc/64/11/93/722641193.db2.gz SIJDNBBKVXGCJR-QPUJVOFHSA-N -1 3 366.266 3.247 20 0 FGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(-c2coc(C)n2)cc1 ZINC000747352587 722644236 /nfs/dbraw/zinc/64/42/36/722644236.db2.gz HALHSSPSXNWEMF-UHFFFAOYSA-N -1 3 356.407 3.428 20 0 FGADHM COC(=O)/C=C/c1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2F)cc1 ZINC000747613555 722652751 /nfs/dbraw/zinc/65/27/51/722652751.db2.gz PHUCZLQHGHPWFN-QPJJXVBHSA-N -1 3 371.336 3.091 20 0 FGADHM O=C(Nc1cccc(C[N-]C(=O)C(F)(F)C(F)F)c1)c1ccccc1 ZINC000749349624 722725506 /nfs/dbraw/zinc/72/55/06/722725506.db2.gz MTJLQSGNEPTVJK-UHFFFAOYSA-N -1 3 354.303 3.456 20 0 FGADHM O=C(NC[C@H]1SCCc2ccccc21)c1nnc2ccccc2c1[O-] ZINC000749480586 722730246 /nfs/dbraw/zinc/73/02/46/722730246.db2.gz GYLXZCODEWGSSS-MRXNPFEDSA-N -1 3 351.431 3.096 20 0 FGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCCC2(C)C)ccc1F ZINC000750140548 722755694 /nfs/dbraw/zinc/75/56/94/722755694.db2.gz WRTYNBALFFNHFP-OAHLLOKOSA-N -1 3 370.490 3.211 20 0 FGADHM CCCCC[C@H]([N-]S(=O)(=O)c1csnc1C(=O)OC)C(C)(C)C ZINC000751106765 722794688 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/nfs/dbraw/zinc/20/46/71/743204671.db2.gz RGFUSPCAOGUMKB-UHFFFAOYSA-N -1 3 363.405 3.367 20 0 FGADHM Fc1ccccc1[N-]c1nnc(SC[C@@H]2C[C@@H]3COC[C@@H]3O2)s1 ZINC000901382169 743263772 /nfs/dbraw/zinc/26/37/72/743263772.db2.gz WVSFKNOXWAGOKP-NRUUGDAUSA-N -1 3 353.444 3.317 20 0 FGADHM CCCNC(=O)C1(NCc2ccc(C(=O)[O-])c(Cl)c2)CCCCC1 ZINC000901448710 743281491 /nfs/dbraw/zinc/28/14/91/743281491.db2.gz DHXMCNJGFARZDQ-UHFFFAOYSA-N -1 3 352.862 3.357 20 0 FGADHM CCOCCCN(Cc1nc2ccc(Cl)cc2n1C)C[C@@H](C)C(=O)[O-] ZINC000901677726 743617217 /nfs/dbraw/zinc/61/72/17/743617217.db2.gz NAZDSQBFAGMWDI-CYBMUJFWSA-N -1 3 367.877 3.176 20 0 FGADHM CC(C)n1cc(Cl)c([N-]S(=O)(=O)CCCOCc2ccccc2)n1 ZINC000901715002 743625398 /nfs/dbraw/zinc/62/53/98/743625398.db2.gz PSAGIUBCURBUMT-UHFFFAOYSA-N -1 3 371.890 3.466 20 0 FGADHM O=C([O-])C1=CC[C@H](NCc2nc3ccc(Br)cc3s2)C1 ZINC000901726401 743628073 /nfs/dbraw/zinc/62/80/73/743628073.db2.gz RDXWGOPLRZDKTP-JTQLQIEISA-N -1 3 353.241 3.322 20 0 FGADHM COc1cccc([C@H](NCc2ccc(OCC(F)F)cc2)C(=O)[O-])c1 ZINC000901753877 743632684 /nfs/dbraw/zinc/63/26/84/743632684.db2.gz IDQCHSDVSPVESX-KRWDZBQOSA-N -1 3 351.349 3.255 20 0 FGADHM COC[C@@](C)(CC(=O)[O-])NCc1cc2cc(Br)ccc2o1 ZINC000901795074 743642822 /nfs/dbraw/zinc/64/28/22/743642822.db2.gz WMLVYLFDSVKROO-OAHLLOKOSA-N -1 3 356.216 3.165 20 0 FGADHM CCOc1cc(CN2CCSC[C@@H](C(=O)[O-])C2)ccc1OCC(C)C ZINC000901892332 743669048 /nfs/dbraw/zinc/66/90/48/743669048.db2.gz SKCTUAFONJATLQ-INIZCTEOSA-N -1 3 367.511 3.370 20 0 FGADHM COc1ccc(N2CCC(N[C@@H](C)c3ncc(C(=O)[O-])s3)CC2)cc1 ZINC000901909496 743674368 /nfs/dbraw/zinc/67/43/68/743674368.db2.gz CMKARWQJVCHCHP-LBPRGKRZSA-N -1 3 361.467 3.170 20 0 FGADHM Cc1cc(CN2C[C@@H]3CCCC[C@]3(C(=O)[O-])C2)ncc1Br ZINC000901911193 743675142 /nfs/dbraw/zinc/67/51/42/743675142.db2.gz KSAIMZJPAGZGFN-LRDDRELGSA-N -1 3 353.260 3.229 20 0 FGADHM O=C([O-])c1cnc(C2CCN(Cc3ccc4nccnc4c3)CC2)s1 ZINC000901929229 743680061 /nfs/dbraw/zinc/68/00/61/743680061.db2.gz 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351.491 3.323 20 0 FGADHM O=C([O-])[C@@H](NC[C@@H]1CCC2(CCC2)O1)c1ccccc1Br ZINC000905395604 744018501 /nfs/dbraw/zinc/01/85/01/744018501.db2.gz NHRBGGUKAZIYQZ-FZMZJTMJSA-N -1 3 354.244 3.266 20 0 FGADHM CN(C)c1cccc2sc(C(=O)N3CCCc4c(=O)[n-]cnc43)cc21 ZINC000906120941 744095577 /nfs/dbraw/zinc/09/55/77/744095577.db2.gz WPEJRCPLNBKDGU-UHFFFAOYSA-N -1 3 354.435 3.056 20 0 FGADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N(C[C@@H]2CCOC2)C2CC2)s1 ZINC000906409499 744130120 /nfs/dbraw/zinc/13/01/20/744130120.db2.gz QAHFFSYAAUEKKU-NSHDSACASA-N -1 3 367.471 3.131 20 0 FGADHM Cc1nn(C)cc1[C@@H](C)NC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000906542405 744141157 /nfs/dbraw/zinc/14/11/57/744141157.db2.gz UFDBRTTXLRSZKU-SECBINFHSA-N -1 3 365.459 3.023 20 0 FGADHM CCCCN(CCCO)C(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000907219667 744195116 /nfs/dbraw/zinc/19/51/16/744195116.db2.gz UZWYORUUJXERAZ-UHFFFAOYSA-N -1 3 357.476 3.115 20 0 FGADHM C[C@H]1CC2(CC([N-]S(=O)(=O)c3c(Cl)cccc3Cl)C2)CO1 ZINC000907725390 744231895 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C[C@H]1CCCN(C(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)[C@H]1CCO ZINC000912402780 757322164 /nfs/dbraw/zinc/32/21/64/757322164.db2.gz GHISWEVURKOSJZ-RYUDHWBXSA-N -1 3 369.487 3.113 20 0 FGADHM O=C(C=Cc1cc(C(F)(F)F)ccc1Cl)NCCCc1c[n-][nH]c1=O ZINC000912468152 757331703 /nfs/dbraw/zinc/33/17/03/757331703.db2.gz BGEPOTCGTWURQR-UUSYTGMJSA-N -1 3 373.762 3.000 20 0 FGADHM O=C(NCCCc1c[n-][nH]c1=O)C1(c2cccc(Cl)c2)CCCCC1 ZINC000912471034 757332447 /nfs/dbraw/zinc/33/24/47/757332447.db2.gz YGKBCDGSZPRWLL-CQSZACIVSA-N -1 3 361.873 3.170 20 0 FGADHM Cc1nc(C2CCC2)sc1CC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000913356908 757500809 /nfs/dbraw/zinc/50/08/09/757500809.db2.gz GCFVALVPCNAZEA-UHFFFAOYSA-N -1 3 354.439 3.080 20 0 FGADHM Cc1nc(C2CCC2)sc1CC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000913356908 757500813 /nfs/dbraw/zinc/50/08/13/757500813.db2.gz GCFVALVPCNAZEA-UHFFFAOYSA-N -1 3 354.439 3.080 20 0 FGADHM Cc1[n-]nc(C(F)(F)F)c1C(=O)N=[S@](C)(=O)c1ccc(N(C)C)cc1 ZINC000913501555 757530795 /nfs/dbraw/zinc/53/07/95/757530795.db2.gz RBEDDYBRCYPRJV-RUZDIDTESA-N -1 3 374.388 3.100 20 0 FGADHM Cc1cccc2c1OCC[C@@H]2[N-]S(=O)(=O)c1occc1Br ZINC000914027014 757668032 /nfs/dbraw/zinc/66/80/32/757668032.db2.gz VYOTTYGWUKWWQP-LBPRGKRZSA-N -1 3 372.240 3.153 20 0 FGADHM Cc1cccnc1[C@@H]([N-]S(=O)(=O)c1occc1Br)C(C)C ZINC000914115422 757696916 /nfs/dbraw/zinc/69/69/16/757696916.db2.gz ACIDQBDHEFITQG-LBPRGKRZSA-N -1 3 373.272 3.421 20 0 FGADHM Cc1cccnc1[C@H]([N-]S(=O)(=O)c1occc1Br)C(C)C ZINC000914115420 757697053 /nfs/dbraw/zinc/69/70/53/757697053.db2.gz ACIDQBDHEFITQG-GFCCVEGCSA-N -1 3 373.272 3.421 20 0 FGADHM Cc1nc(C[N-]S(=O)(=O)CC2(F)CC2)oc1-c1ccc(Cl)cc1 ZINC000914236660 757728460 /nfs/dbraw/zinc/72/84/60/757728460.db2.gz BEJVLCAMOGGKRX-UHFFFAOYSA-N -1 3 358.822 3.225 20 0 FGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)OCc2ccc(F)cc2)ccc1F ZINC000914709581 757827362 /nfs/dbraw/zinc/82/73/62/757827362.db2.gz RBPXNIOOUKKIRJ-UHFFFAOYSA-N -1 3 369.389 3.009 20 0 FGADHM COc1cccc(CNC(=O)[C@@H](C)OC(=O)c2cc3ccsc3[n-]2)c1 ZINC000914890849 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370.515 3.317 20 0 FGADHM CCCCn1ncc(C(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)c1C ZINC000122255524 494948045 /nfs/dbraw/zinc/94/80/45/494948045.db2.gz QJXXKVXDXJYUII-UHFFFAOYSA-N -1 3 365.437 3.303 20 0 FGADHM O=C(COc1ccc(F)c(Cl)c1)[N-]c1nncn1Cc1ccccc1 ZINC000117737418 494951167 /nfs/dbraw/zinc/95/11/67/494951167.db2.gz KEOVORSLVGTXKF-UHFFFAOYSA-N -1 3 360.776 3.136 20 0 FGADHM CS(=O)(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)c1ccccc1[O-] ZINC000094122615 494951857 /nfs/dbraw/zinc/95/18/57/494951857.db2.gz XSBCPCJWWPGZLB-UHFFFAOYSA-N -1 3 374.340 3.035 20 0 FGADHM C[C@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])c2ccccc21 ZINC000095357419 494962577 /nfs/dbraw/zinc/96/25/77/494962577.db2.gz FDMGGLOHOWEZMK-KSSFIOAISA-N -1 3 350.418 3.147 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-]C[C@H](OC)c1cccc(Cl)c1 ZINC000122394534 494968652 /nfs/dbraw/zinc/96/86/52/494968652.db2.gz XBAOIXLEXBFQKV-ZDUSSCGKSA-N -1 3 361.872 3.076 20 0 FGADHM O=C(COc1ccccc1OCC(F)(F)F)NCc1ccc([O-])c(F)c1 ZINC000133098180 494968723 /nfs/dbraw/zinc/96/87/23/494968723.db2.gz SAKJLTOSZUIDHM-UHFFFAOYSA-N -1 3 373.302 3.168 20 0 FGADHM Cc1cc(Br)ccc1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000122493457 494984683 /nfs/dbraw/zinc/98/46/83/494984683.db2.gz JERUJAIFIBWISJ-UHFFFAOYSA-N -1 3 358.199 3.190 20 0 FGADHM Cc1cc(Br)ccc1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000122493457 494984687 /nfs/dbraw/zinc/98/46/87/494984687.db2.gz JERUJAIFIBWISJ-UHFFFAOYSA-N -1 3 358.199 3.190 20 0 FGADHM CC(=O)N[C@H](CC(=O)NCc1ccc([O-])c(F)c1)c1ccc(Cl)cc1 ZINC000133213453 494985844 /nfs/dbraw/zinc/98/58/44/494985844.db2.gz MLBKVXRLTACILH-MRXNPFEDSA-N -1 3 364.804 3.068 20 0 FGADHM CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)c(C)c1 ZINC000122521953 494987936 /nfs/dbraw/zinc/98/79/36/494987936.db2.gz GBSOXCNLBFEWAN-UHFFFAOYSA-N -1 3 374.462 3.424 20 0 FGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(NC(=O)c2ccc(Cl)o2)ccc1F ZINC000133258154 494991833 /nfs/dbraw/zinc/99/18/33/494991833.db2.gz NOOVAAPOHPEFJE-UHFFFAOYSA-N -1 3 374.821 3.401 20 0 FGADHM Cc1nc(C)c(CCC(=O)N2CCS[C@H](C)[C@@H]2c2ccccc2)c(=O)[n-]1 ZINC000118300362 494992030 /nfs/dbraw/zinc/99/20/30/494992030.db2.gz RBTKQUVGVIZCRY-AUUYWEPGSA-N -1 3 371.506 3.025 20 0 FGADHM CC(C)N(C(=O)[C@H](C)N1CCC(C(=O)c2ccc([O-])cc2)CC1)C(C)C ZINC000127773697 494995517 /nfs/dbraw/zinc/99/55/17/494995517.db2.gz VCXKAUMAMAPQFL-INIZCTEOSA-N -1 3 360.498 3.321 20 0 FGADHM O=S(=O)([N-][C@H](c1ccc(F)cc1)C(F)(F)F)c1c[nH]c2ncccc12 ZINC000118435413 495001689 /nfs/dbraw/zinc/00/16/89/495001689.db2.gz JQNZDWCFGMXJOU-CYBMUJFWSA-N -1 3 373.331 3.284 20 0 FGADHM O=C(c1ccc2n[n-]nc2c1)N1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000127989805 495027343 /nfs/dbraw/zinc/02/73/43/495027343.db2.gz DKZUSLRKRHVJLD-ZDUSSCGKSA-N -1 3 367.478 3.313 20 0 FGADHM C[C@@H]1CCCC[C@H]1NC(=O)Cc1csc(NC(=O)c2cccc([O-])c2)n1 ZINC000118756690 495032097 /nfs/dbraw/zinc/03/20/97/495032097.db2.gz YFGNYZLAACNWQL-MLGOLLRUSA-N -1 3 373.478 3.338 20 0 FGADHM Cc1ccc(C(=O)NCc2ccc(OCC(F)(F)F)nc2)c([O-])c1C ZINC000097491773 495036789 /nfs/dbraw/zinc/03/67/89/495036789.db2.gz JDAOXAXHGOWSJP-UHFFFAOYSA-N -1 3 354.328 3.275 20 0 FGADHM CCOC(=O)c1c[n-]n(C2CCN(C/C(C)=C/c3ccccc3)CC2)c1=N ZINC000128255727 495068563 /nfs/dbraw/zinc/06/85/63/495068563.db2.gz DLDXNBBKSVWVPL-NDLTZJQZSA-N -1 3 368.481 3.213 20 0 FGADHM CC(C)c1cc(C[N-]S(=O)(=O)c2cc3c(c(Cl)c2)O[C@H](C)C3)on1 ZINC000128326547 495079889 /nfs/dbraw/zinc/07/98/89/495079889.db2.gz AZDDKUFVBITJSV-SNVBAGLBSA-N -1 3 370.858 3.253 20 0 FGADHM COc1ccc([O-])c(C(=O)N2Cc3ccccc3C[C@@H]2c2nnc(C)o2)c1 ZINC000123101877 495080935 /nfs/dbraw/zinc/08/09/35/495080935.db2.gz IVDBQKNTNULZBX-QGZVFWFLSA-N -1 3 365.389 3.032 20 0 FGADHM COc1ccc(Br)c(CC(=O)Nc2cccc([O-])c2F)c1 ZINC000128338682 495081731 /nfs/dbraw/zinc/08/17/31/495081731.db2.gz IMIMHRJDRVPXDH-UHFFFAOYSA-N -1 3 354.175 3.484 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H]2C[C@@H](O)c2cccs2)c1 ZINC000123113002 495082456 /nfs/dbraw/zinc/08/24/56/495082456.db2.gz DLXZFHMCHFHEEK-WMLDXEAASA-N -1 3 374.462 3.140 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3nnc(C(F)F)s3)c[n-]c12 ZINC000123135447 495085447 /nfs/dbraw/zinc/08/54/47/495085447.db2.gz BHTKMPJRPIXOOU-UHFFFAOYSA-N -1 3 354.313 3.017 20 0 FGADHM COc1cc(C)cc(C(=O)Nc2ccc([C@H](C)N3CCOCC3)cc2)c1[O-] ZINC000111611833 495089978 /nfs/dbraw/zinc/08/99/78/495089978.db2.gz OPRKQGJSAWRTGA-HNNXBMFYSA-N -1 3 370.449 3.355 20 0 FGADHM CC(C)(CC(=O)N1CCN(C(=O)c2cccc([O-])c2)CC1)c1ccccc1 ZINC000101678888 495091233 /nfs/dbraw/zinc/09/12/33/495091233.db2.gz IERROXADQYLEFW-UHFFFAOYSA-N -1 3 366.461 3.045 20 0 FGADHM Cc1c(Cl)cccc1NC(=O)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000101736129 495094488 /nfs/dbraw/zinc/09/44/88/495094488.db2.gz OAEQHYAROSNVCV-UHFFFAOYSA-N -1 3 373.840 3.344 20 0 FGADHM CN(Cc1cccc(Cl)c1Cl)C(=O)c1cnc2c(cnn2C)c1[O-] ZINC000119110361 495095210 /nfs/dbraw/zinc/09/52/10/495095210.db2.gz LVGNWLMISXFKDH-UHFFFAOYSA-N -1 3 365.220 3.253 20 0 FGADHM NC(=O)N[C@@H](CC(=O)Nc1ccc([O-])c(C(F)(F)F)c1)c1cccs1 ZINC000134102209 495105977 /nfs/dbraw/zinc/10/59/77/495105977.db2.gz XFWHSSQDLRWLGL-JTQLQIEISA-N -1 3 373.356 3.211 20 0 FGADHM O=C(c1cncc([O-])c1)N1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000119218155 495119248 /nfs/dbraw/zinc/11/92/48/495119248.db2.gz QVEONVANIZKURU-UHFFFAOYSA-N -1 3 371.440 3.315 20 0 FGADHM CC(C)(C)c1cc([N-]C(=O)CS(=O)(=O)c2cccc(Cl)c2)on1 ZINC000102076354 495119738 /nfs/dbraw/zinc/11/97/38/495119738.db2.gz WHYJAKQBTWZJCI-UHFFFAOYSA-N -1 3 356.831 3.038 20 0 FGADHM Cc1c(C(=O)Nc2cccc([O-])c2F)nnn1-c1ccc2ncccc2c1 ZINC000128648061 495129641 /nfs/dbraw/zinc/12/96/41/495129641.db2.gz SQGGYVNGZTUOPZ-UHFFFAOYSA-N -1 3 363.352 3.221 20 0 FGADHM CC(C)CN1Cc2cccc([N-]S(=O)(=O)c3ccc4c(c3)CCO4)c2C1 ZINC000128657106 495131170 /nfs/dbraw/zinc/13/11/70/495131170.db2.gz UIQCTNBTQZKKGI-UHFFFAOYSA-N -1 3 372.490 3.394 20 0 FGADHM Cn1ncc2c1ncc(C(=O)Nc1ccc(CC(F)(F)F)cc1)c2[O-] ZINC000119283019 495133511 /nfs/dbraw/zinc/13/35/11/495133511.db2.gz KPEJTXDYFOVXIN-UHFFFAOYSA-N -1 3 350.300 3.031 20 0 FGADHM CCCN(C(=O)c1cc(OC)ccc1[O-])[C@H](C)C(=O)Nc1ccccc1 ZINC000102608476 495145774 /nfs/dbraw/zinc/14/57/74/495145774.db2.gz OEZOVVVWRLHJEZ-CQSZACIVSA-N -1 3 356.422 3.280 20 0 FGADHM COc1ccc(F)cc1C(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000119366141 495151936 /nfs/dbraw/zinc/15/19/36/495151936.db2.gz SBGFYMZQOLNFRU-UHFFFAOYSA-N -1 3 372.396 3.031 20 0 FGADHM O=C(Nc1ccc(Br)cc1[O-])c1cccc2c1OCCO2 ZINC000123608609 495159192 /nfs/dbraw/zinc/15/91/92/495159192.db2.gz OANDVDFTXYEKFI-UHFFFAOYSA-N -1 3 350.168 3.178 20 0 FGADHM CCOC(=O)c1ccsc1[N-]C(=O)C(=O)N(C)[C@@H]1CCCC[C@@H]1CC ZINC000128903569 495165863 /nfs/dbraw/zinc/16/58/63/495165863.db2.gz VMXYGFILBHQECT-GXTWGEPZSA-N -1 3 366.483 3.291 20 0 FGADHM CCc1ccc([O-])c(C(=O)NC2CCN(C(=O)NC3CCCCC3)CC2)c1 ZINC000102894432 495169699 /nfs/dbraw/zinc/16/96/99/495169699.db2.gz RGNSDJXSYDIYDO-UHFFFAOYSA-N -1 3 373.497 3.191 20 0 FGADHM Cn1ncc2c1ncc(C(=O)N1CC=C(c3ccccc3Cl)CC1)c2[O-] ZINC000119469020 495173233 /nfs/dbraw/zinc/17/32/33/495173233.db2.gz ILSKVFIYYRBPJN-UHFFFAOYSA-N -1 3 368.824 3.257 20 0 FGADHM COc1ccccc1-c1nc(NC(=O)COc2cccc(Cl)c2C)n[n-]1 ZINC000134665495 495184029 /nfs/dbraw/zinc/18/40/29/495184029.db2.gz IVKQQCCSXLLDSS-UHFFFAOYSA-N -1 3 372.812 3.460 20 0 FGADHM CN(C(=O)Cc1nc(=O)c2c3c(sc2[n-]1)CCCC3)C1CCCCC1 ZINC000112404379 495184834 /nfs/dbraw/zinc/18/48/34/495184834.db2.gz XLMAOLPLMCDIHG-UHFFFAOYSA-N -1 3 359.495 3.197 20 0 FGADHM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccc(F)c(C)c3)cc2C[C@@H]1C ZINC000103060715 495188230 /nfs/dbraw/zinc/18/82/30/495188230.db2.gz KGFBAHSLYADYSM-LBPRGKRZSA-N -1 3 362.426 3.232 20 0 FGADHM COc1ccc(-c2cncc(C(=O)Nc3nc(C(F)(F)F)n[n-]3)c2)cc1 ZINC000134708722 495189802 /nfs/dbraw/zinc/18/98/02/495189802.db2.gz NHUOONUHUDUJDD-UHFFFAOYSA-N -1 3 363.299 3.146 20 0 FGADHM COc1ccc(-c2cncc(C(=O)Nc3nnc(C(F)(F)F)[n-]3)c2)cc1 ZINC000134708722 495189807 /nfs/dbraw/zinc/18/98/07/495189807.db2.gz NHUOONUHUDUJDD-UHFFFAOYSA-N -1 3 363.299 3.146 20 0 FGADHM CC(C)CC[C@H]1CCCCN1C(=O)c1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000119619870 495203050 /nfs/dbraw/zinc/20/30/50/495203050.db2.gz WHPBNDLOKGITLI-UTKZUKDTSA-N -1 3 371.481 3.172 20 0 FGADHM Cn1ccnc1-c1cc(NC(=O)c2cnc(-c3ccsc3)s2)n[n-]1 ZINC000119619636 495203147 /nfs/dbraw/zinc/20/31/47/495203147.db2.gz WKOWFVPTEFHGPF-UHFFFAOYSA-N -1 3 356.436 3.248 20 0 FGADHM Cn1ccnc1-c1cc(NC(=O)c2cnc(-c3ccsc3)s2)[n-]n1 ZINC000119619636 495203149 /nfs/dbraw/zinc/20/31/49/495203149.db2.gz WKOWFVPTEFHGPF-UHFFFAOYSA-N -1 3 356.436 3.248 20 0 FGADHM COc1cc(C(=O)Nc2cc(-c3nccn3C)[n-]n2)ccc1OCC(C)C ZINC000119687239 495218824 /nfs/dbraw/zinc/21/88/24/495218824.db2.gz GUEMWSQNFHDYSJ-UHFFFAOYSA-N -1 3 369.425 3.106 20 0 FGADHM COc1cc(C(=O)Nc2cc(-c3nccn3C)n[n-]2)ccc1OCC(C)C ZINC000119687239 495218827 /nfs/dbraw/zinc/21/88/27/495218827.db2.gz GUEMWSQNFHDYSJ-UHFFFAOYSA-N -1 3 369.425 3.106 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-]C1(c2ccc(F)cc2F)CCC1 ZINC000134968110 495232123 /nfs/dbraw/zinc/23/21/23/495232123.db2.gz QTHSZQWLOZNPEY-UHFFFAOYSA-N -1 3 359.419 3.393 20 0 FGADHM O=C(c1c[n-]c2ccccc2c1=O)N1CCO[C@H](c2ccccc2Cl)C1 ZINC000103445354 495232997 /nfs/dbraw/zinc/23/29/97/495232997.db2.gz OLHLCQHFUXJRGG-SFHVURJKSA-N -1 3 368.820 3.395 20 0 FGADHM COC(=O)c1sc2[n-]c(CN3C[C@H](C)c4ccccc43)nc(=O)c2c1C ZINC000124099852 495233985 /nfs/dbraw/zinc/23/39/85/495233985.db2.gz WODZKSRFPKEXJE-JTQLQIEISA-N -1 3 369.446 3.203 20 0 FGADHM Cc1noc2nc(C(C)C)cc(C(=O)Nc3cc(-c4nccn4C)[n-]n3)c12 ZINC000119760406 495235006 /nfs/dbraw/zinc/23/50/06/495235006.db2.gz CRPGSCWRGQRJPS-UHFFFAOYSA-N -1 3 365.397 3.031 20 0 FGADHM Cc1noc2nc(C(C)C)cc(C(=O)Nc3cc(-c4nccn4C)n[n-]3)c12 ZINC000119760406 495235008 /nfs/dbraw/zinc/23/50/08/495235008.db2.gz CRPGSCWRGQRJPS-UHFFFAOYSA-N -1 3 365.397 3.031 20 0 FGADHM Cc1cccc(C(=O)N2CCN([C@H](C)c3ccc(F)cc3F)CC2)c1[O-] ZINC000103532532 495246805 /nfs/dbraw/zinc/24/68/05/495246805.db2.gz WRWHXGXMJPRHKE-CQSZACIVSA-N -1 3 360.404 3.498 20 0 FGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1F ZINC000112863143 495248945 /nfs/dbraw/zinc/24/89/45/495248945.db2.gz NYCQVZDIEXOPIK-CHWSQXEVSA-N -1 3 366.389 3.079 20 0 FGADHM COc1cccc(C(=O)N[C@@H](C)c2cnn(Cc3ccccc3)c2)c1[O-] ZINC000124200315 495249599 /nfs/dbraw/zinc/24/95/99/495249599.db2.gz VKCCGJGLXBTTRS-AWEZNQCLSA-N -1 3 351.406 3.137 20 0 FGADHM COC(=O)[C@H](Sc1n[n-]c(COc2ccc(Cl)cc2)n1)C(C)C ZINC000119958647 495277967 /nfs/dbraw/zinc/27/79/67/495277967.db2.gz SOBMQANVHKCPNW-CYBMUJFWSA-N -1 3 355.847 3.327 20 0 FGADHM CC[C@@]1(C)C[C@@H]1C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000135381071 495284907 /nfs/dbraw/zinc/28/49/07/495284907.db2.gz XYISVVIVEDUPJG-YGRLFVJLSA-N -1 3 364.389 3.452 20 0 FGADHM O=C(c1ccc2n[n-]nc2c1)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113219092 495285026 /nfs/dbraw/zinc/28/50/26/495285026.db2.gz GWOYITSAWPZHGK-INIZCTEOSA-N -1 3 372.432 3.368 20 0 FGADHM COc1ncccc1C[N-]S(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000113277011 495291376 /nfs/dbraw/zinc/29/13/76/495291376.db2.gz AITSGGROQAFDTQ-UHFFFAOYSA-N -1 3 361.250 3.017 20 0 FGADHM O=C(c1ccc([O-])cc1)C1CCN(CC[S@](=O)c2ccccc2)CC1 ZINC000104665898 495295012 /nfs/dbraw/zinc/29/50/12/495295012.db2.gz SUKDSBQIPOMLLP-RUZDIDTESA-N -1 3 357.475 3.095 20 0 FGADHM Cc1nn(-c2ccccc2)c(C)c1CNC(=O)c1c[n-]c2ccccc2c1=O ZINC000120043631 495295010 /nfs/dbraw/zinc/29/50/10/495295010.db2.gz CDDGITQBXUKBGM-UHFFFAOYSA-N -1 3 372.428 3.261 20 0 FGADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]Cc2ccccc2F)cc1Cl ZINC000104732543 495301970 /nfs/dbraw/zinc/30/19/70/495301970.db2.gz USQJGGYHDRWVEJ-UHFFFAOYSA-N -1 3 374.796 3.055 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H]2C[C@H]2c2c(F)cccc2Cl)c1 ZINC000129831336 495302376 /nfs/dbraw/zinc/30/23/76/495302376.db2.gz SXNCNOYEHNKPOF-ABAIWWIYSA-N -1 3 362.788 3.429 20 0 FGADHM O=S(=O)([N-]Cc1cc(F)ccc1F)c1ccccc1C(F)(F)F ZINC000104752592 495302891 /nfs/dbraw/zinc/30/28/91/495302891.db2.gz PMGGGHPCCMGDIW-UHFFFAOYSA-N -1 3 351.296 3.462 20 0 FGADHM C[C@H](SCc1ccccc1)C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000135564219 495311762 /nfs/dbraw/zinc/31/17/62/495311762.db2.gz QJFSVNAEEHTMQS-ZDUSSCGKSA-N -1 3 353.451 3.051 20 0 FGADHM C[C@H](SCc1ccccc1)C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000135564219 495311764 /nfs/dbraw/zinc/31/17/64/495311764.db2.gz QJFSVNAEEHTMQS-ZDUSSCGKSA-N -1 3 353.451 3.051 20 0 FGADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1cnc(-c2ccccc2)s1 ZINC000135569039 495312504 /nfs/dbraw/zinc/31/25/04/495312504.db2.gz PKLQIYLYEXENPY-UHFFFAOYSA-N -1 3 362.418 3.166 20 0 FGADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1cnc(-c2ccccc2)s1 ZINC000135569039 495312506 /nfs/dbraw/zinc/31/25/06/495312506.db2.gz PKLQIYLYEXENPY-UHFFFAOYSA-N -1 3 362.418 3.166 20 0 FGADHM O=C(c1ccc[nH]1)c1cc(Cl)ccc1NC([O-])=NO[C@@H]1CCCCO1 ZINC000120144621 495315174 /nfs/dbraw/zinc/31/51/74/495315174.db2.gz RCRBUMODOZJCFG-OAHLLOKOSA-N -1 3 363.801 3.479 20 0 FGADHM O=C([N-]O[C@@H]1CCCCO1)Nc1ccc(Cl)cc1C(=O)c1ccc[nH]1 ZINC000120144621 495315178 /nfs/dbraw/zinc/31/51/78/495315178.db2.gz RCRBUMODOZJCFG-OAHLLOKOSA-N -1 3 363.801 3.479 20 0 FGADHM C[C@@H](C[S@@](C)=O)N(C)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000135611374 495317738 /nfs/dbraw/zinc/31/77/38/495317738.db2.gz UAWRRKOWMWZKRD-MQNRADLISA-N -1 3 359.491 3.016 20 0 FGADHM Cc1cc(F)c(S(=O)(=O)[N-]C[C@H](C[C@@H](C)O)c2ccccc2)cc1F ZINC000124716729 495331774 /nfs/dbraw/zinc/33/17/74/495331774.db2.gz ABSXLHBSZWAYBS-HIFRSBDPSA-N -1 3 369.433 3.106 20 0 FGADHM Cc1noc(C)c1[C@@H](C)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000113946788 495338861 /nfs/dbraw/zinc/33/88/61/495338861.db2.gz GZGNAXYZVQAUPN-MRVPVSSYSA-N -1 3 366.336 3.489 20 0 FGADHM CCOC(=O)c1ccc(NC(=O)Cc2cn(C)c3ccccc23)c([O-])c1 ZINC000124769784 495340816 /nfs/dbraw/zinc/34/08/16/495340816.db2.gz FLJXOJMAZRPPLL-UHFFFAOYSA-N -1 3 352.390 3.242 20 0 FGADHM COc1cccc(Cc2nnc([N-]C(=O)c3ccc(Cl)cn3)s2)c1 ZINC000120344243 495357163 /nfs/dbraw/zinc/35/71/63/495357163.db2.gz KFFKETXVRBKOOT-UHFFFAOYSA-N -1 3 360.826 3.438 20 0 FGADHM CCc1cc(=O)[n-]c(CN(C)CCCc2cc(-c3cccc(F)c3)n[nH]2)n1 ZINC000120447621 495381535 /nfs/dbraw/zinc/38/15/35/495381535.db2.gz SRCRDTMOPYGZIY-UHFFFAOYSA-N -1 3 369.444 3.338 20 0 FGADHM CSCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)Nc1ccccc1[O-] ZINC000120451787 495382392 /nfs/dbraw/zinc/38/23/92/495382392.db2.gz PNOQJZRSEOCBNN-MRXNPFEDSA-N -1 3 358.463 3.191 20 0 FGADHM CN(C)CCN(Cc1ccc(F)cc1)C(=O)c1ccc([O-])c(Cl)c1 ZINC000125105159 495391470 /nfs/dbraw/zinc/39/14/70/495391470.db2.gz RGDGIVSCVBEUMM-UHFFFAOYSA-N -1 3 350.821 3.389 20 0 FGADHM Cc1cc(C)c(NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)c(C)c1 ZINC000136696060 495395362 /nfs/dbraw/zinc/39/53/62/495395362.db2.gz IRSSZMMZILPOGR-UHFFFAOYSA-N -1 3 367.449 3.307 20 0 FGADHM CCC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)c1 ZINC000106007110 495401858 /nfs/dbraw/zinc/40/18/58/495401858.db2.gz JXAFNIHCJINNJF-ZDUSSCGKSA-N -1 3 374.462 3.468 20 0 FGADHM CCOC(=O)[C@@H](C)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000114745137 495419623 /nfs/dbraw/zinc/41/96/23/495419623.db2.gz KLDSRBQZIMSORE-CQSZACIVSA-N -1 3 362.451 3.159 20 0 FGADHM Cc1nc(C)c(CCC(=O)N[C@@H](c2ccc(F)cc2)C(C)(C)C)c(=O)[n-]1 ZINC000130648863 495423983 /nfs/dbraw/zinc/42/39/83/495423983.db2.gz GSMJZOPVOWHKDM-SFHVURJKSA-N -1 3 359.445 3.362 20 0 FGADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1cc(F)cc(C(F)(F)F)c1 ZINC000120697886 495438149 /nfs/dbraw/zinc/43/81/49/495438149.db2.gz FPBFGRZNUPFWBE-UHFFFAOYSA-N -1 3 365.290 3.201 20 0 FGADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1cc(F)cc(C(F)(F)F)c1 ZINC000120697886 495438152 /nfs/dbraw/zinc/43/81/52/495438152.db2.gz FPBFGRZNUPFWBE-UHFFFAOYSA-N -1 3 365.290 3.201 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1ccccc1OC(F)(F)F)c1nccs1 ZINC000106238380 495438889 /nfs/dbraw/zinc/43/88/89/495438889.db2.gz QMYCVOOQPXMLKX-QMMMGPOBSA-N -1 3 352.359 3.081 20 0 FGADHM CCc1cc(=O)[n-]c(CS[C@H]2CCN(c3c(F)cccc3F)C2=O)n1 ZINC000125514204 495457037 /nfs/dbraw/zinc/45/70/37/495457037.db2.gz KZPDNIHZZRAXIS-ZDUSSCGKSA-N -1 3 365.405 3.062 20 0 FGADHM Cc1oc2ccccc2c1CN1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000130957388 495471878 /nfs/dbraw/zinc/47/18/78/495471878.db2.gz AXPMDWXPCKUOMX-UHFFFAOYSA-N -1 3 350.418 3.405 20 0 FGADHM CCN(C(=O)c1cc(C(C)C)cc(C(C)C)c1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000120898980 495481663 /nfs/dbraw/zinc/48/16/63/495481663.db2.gz RKUNHPZJHNPHJJ-HNNXBMFYSA-N -1 3 367.511 3.288 20 0 FGADHM COc1cccc(C(=O)Nc2ccc(Cl)c(C[S@@](C)=O)c2)c1[O-] ZINC000115270061 495481930 /nfs/dbraw/zinc/48/19/30/495481930.db2.gz CFDVZVIKRJFPOR-QHCPKHFHSA-N -1 3 353.827 3.185 20 0 FGADHM O=C(c1ccc2n[n-]nc2c1)N1CCC[C@H](Oc2ccccc2Cl)C1 ZINC000131059487 495486808 /nfs/dbraw/zinc/48/68/08/495486808.db2.gz CBKNLCNGYFFRBW-ZDUSSCGKSA-N -1 3 356.813 3.295 20 0 FGADHM COC(=O)c1sc2[n-]c(CN(c3ccccc3)C(C)C)nc(=O)c2c1C ZINC000115303300 495487766 /nfs/dbraw/zinc/48/77/66/495487766.db2.gz ZBHGNRJFWDCKIB-UHFFFAOYSA-N -1 3 371.462 3.495 20 0 FGADHM CCc1noc(C)c1[N-]C(=O)c1occc1CS(=O)(=O)c1ccccc1 ZINC000120962852 495493151 /nfs/dbraw/zinc/49/31/51/495493151.db2.gz RMZYAJRSHSPHGZ-UHFFFAOYSA-N -1 3 374.418 3.365 20 0 FGADHM CCc1cc(=O)[n-]c(CS[C@@H](C)C(=O)N(C)Cc2cccc(F)c2)n1 ZINC000125800520 495500727 /nfs/dbraw/zinc/50/07/27/495500727.db2.gz SOONJEXUHFMVEJ-LBPRGKRZSA-N -1 3 363.458 3.164 20 0 FGADHM Cc1cn([C@H](C)c2ccccc2)nc1-n1c([O-])c(CC(F)(F)F)[nH]c1=O ZINC000571666512 505786174 /nfs/dbraw/zinc/78/61/74/505786174.db2.gz GEQAXQXZDTWIEN-DGCLKSJQSA-N -1 3 366.343 3.178 20 0 FGADHM COC(=O)C1CCC([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000106892817 495507582 /nfs/dbraw/zinc/50/75/82/495507582.db2.gz HKHTVKOPQFLAON-UHFFFAOYSA-N -1 3 366.266 3.004 20 0 FGADHM Cc1cc([N-]C(=O)[C@H](C)Nc2cccc(NC(=O)c3ccoc3)c2)on1 ZINC000131215453 495507764 /nfs/dbraw/zinc/50/77/64/495507764.db2.gz OKYZXSPLIRARKV-LBPRGKRZSA-N -1 3 354.366 3.267 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)OC(C)(C)C ZINC000125858521 495509306 /nfs/dbraw/zinc/50/93/06/495509306.db2.gz OJQBPLLJCDAXSR-MRVPVSSYSA-N -1 3 354.255 3.002 20 0 FGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1cc(F)c(F)cc1Cl ZINC000141721626 495510054 /nfs/dbraw/zinc/51/00/54/495510054.db2.gz MSCXQLFJYLFGKL-UHFFFAOYSA-N -1 3 360.769 3.242 20 0 FGADHM CCN(CC)c1ccc(C[N-]S(=O)(=O)c2c(F)cccc2Cl)cn1 ZINC000131255984 495513861 /nfs/dbraw/zinc/51/38/61/495513861.db2.gz YMDOLOKUFVCLED-UHFFFAOYSA-N -1 3 371.865 3.199 20 0 FGADHM Cc1cccnc1[C@@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)C(C)C ZINC000115584009 495519980 /nfs/dbraw/zinc/51/99/80/495519980.db2.gz ACRFHRZSQPZURV-HNNXBMFYSA-N -1 3 358.385 3.483 20 0 FGADHM COc1ccccc1C[C@H](C)CC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000107241917 495524087 /nfs/dbraw/zinc/52/40/87/495524087.db2.gz HKBPQMIZFOYJAC-ZDUSSCGKSA-N -1 3 351.410 3.083 20 0 FGADHM COc1ccccc1C[C@H](C)CC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000107241917 495524088 /nfs/dbraw/zinc/52/40/88/495524088.db2.gz HKBPQMIZFOYJAC-ZDUSSCGKSA-N -1 3 351.410 3.083 20 0 FGADHM O=S(=O)([N-]Cc1cn2ccsc2n1)c1cc(Cl)ccc1Cl ZINC000107598337 495529437 /nfs/dbraw/zinc/52/94/37/495529437.db2.gz IFEAUXBDXKKNCT-UHFFFAOYSA-N -1 3 362.263 3.181 20 0 FGADHM COc1cc(C(=O)NCc2csc(-c3ccccc3)n2)cc(OC)c1[O-] ZINC000179314877 495539693 /nfs/dbraw/zinc/53/96/93/495539693.db2.gz IMHFTMLLOODFMT-UHFFFAOYSA-N -1 3 370.430 3.463 20 0 FGADHM O=S(=O)([N-][C@@H]1[C@@H]2Cc3ccccc3[C@@H]21)c1ccc(Br)s1 ZINC000154242505 495554490 /nfs/dbraw/zinc/55/44/90/495554490.db2.gz XNASUYTUAKOGCU-DDTOSNHZSA-N -1 3 370.293 3.127 20 0 FGADHM CS[C@H]1CN(C(=O)c2cccc(C(F)(F)F)c2[O-])C[C@@H]1N1CCCC1 ZINC000577766855 505789073 /nfs/dbraw/zinc/78/90/73/505789073.db2.gz LIWRLRWYMKUVGM-KBPBESRZSA-N -1 3 374.428 3.063 20 0 FGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H](C)c1ccccc1 ZINC000158645313 495557753 /nfs/dbraw/zinc/55/77/53/495557753.db2.gz HMODFGLIYSCWPL-NSHDSACASA-N -1 3 353.827 3.166 20 0 FGADHM COc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCCC[C@H]2n2cccn2)c1 ZINC000173536464 495578638 /nfs/dbraw/zinc/57/86/38/495578638.db2.gz FXMLURQLGYKNKH-LSDHHAIUSA-N -1 3 369.874 3.007 20 0 FGADHM COc1ccc([C@H]2CCCN2C(=O)/C=C/c2cncc([O-])c2)cc1OC ZINC000179405399 495579148 /nfs/dbraw/zinc/57/91/48/495579148.db2.gz RZRPGXDYSMMVRC-ZGRWHYIRSA-N -1 3 354.406 3.181 20 0 FGADHM Cc1nc(C)c(CCC(=O)N[C@@H](C)C2(c3ccccc3)CCCC2)c(=O)[n-]1 ZINC000185470061 495589641 /nfs/dbraw/zinc/58/96/41/495589641.db2.gz WBRYKOLPLKJDNZ-INIZCTEOSA-N -1 3 367.493 3.336 20 0 FGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H](C)c2c(C)noc2C)c1 ZINC000158792338 495589774 /nfs/dbraw/zinc/58/97/74/495589774.db2.gz DAQYACJPITYKOB-VIFPVBQESA-N -1 3 358.847 3.035 20 0 FGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H](C)c2c(C)noc2C)c1 ZINC000158792451 495589991 /nfs/dbraw/zinc/58/99/91/495589991.db2.gz DAQYACJPITYKOB-SECBINFHSA-N -1 3 358.847 3.035 20 0 FGADHM CSC1(C[N-]S(=O)(=O)c2cccc(Cl)c2Cl)CCOCC1 ZINC000173570217 495592291 /nfs/dbraw/zinc/59/22/91/495592291.db2.gz OUYOSPSHBSVVCR-UHFFFAOYSA-N -1 3 370.323 3.184 20 0 FGADHM Cc1sc2[n-]c(CN(C)CC[C@H](C)O)nc(=O)c2c1-c1ccc(C)cc1 ZINC000173568980 495592422 /nfs/dbraw/zinc/59/24/22/495592422.db2.gz SNWOEHMTNGCJMA-ZDUSSCGKSA-N -1 3 371.506 3.471 20 0 FGADHM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-][C@@H](c1ccccc1)C1CC1 ZINC000179454846 495597423 /nfs/dbraw/zinc/59/74/23/495597423.db2.gz WKZABIITHDMLBH-KRWDZBQOSA-N -1 3 363.410 3.042 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N([C@@H](C)C2CC2)C2CC2)c1 ZINC000179456922 495598567 /nfs/dbraw/zinc/59/85/67/495598567.db2.gz HZUVJEPWUUSFLT-NSHDSACASA-N -1 3 369.421 3.344 20 0 FGADHM CCc1nnsc1C(=O)[N-]c1nc(C2CCCC2)c(C(=O)OC)s1 ZINC000182532938 495601911 /nfs/dbraw/zinc/60/19/11/495601911.db2.gz ZRZDRNQBQSILED-UHFFFAOYSA-N -1 3 366.468 3.254 20 0 FGADHM O=S(=O)([N-]Cc1nccs1)c1cc(Br)ccc1Cl ZINC000170787839 495605517 /nfs/dbraw/zinc/60/55/17/495605517.db2.gz YEIDRTSLMJWCIK-UHFFFAOYSA-N -1 3 367.677 3.038 20 0 FGADHM COc1cccc(F)c1[C@@H](C)[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000173596881 495605820 /nfs/dbraw/zinc/60/58/20/495605820.db2.gz PUELKTVMPYPTMZ-MRVPVSSYSA-N -1 3 363.332 3.291 20 0 FGADHM O=C(NC1CCN(CC(F)(F)F)CC1)c1ccc2c(c1[O-])CCCC2 ZINC000185529919 495610530 /nfs/dbraw/zinc/61/05/30/495610530.db2.gz JNCMFGPYBQKWMG-UHFFFAOYSA-N -1 3 356.388 3.028 20 0 FGADHM O=C(N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1)c1c[n-]c2ccccc2c1=O ZINC000182554010 495612721 /nfs/dbraw/zinc/61/27/21/495612721.db2.gz CZNLYHQHYYTYOQ-MJGOQNOKSA-N -1 3 368.820 3.442 20 0 FGADHM O=S(=O)(C[C@@H]1CCCCO1)[N-]c1ccc(Cl)cc1Br ZINC000150741973 495618520 /nfs/dbraw/zinc/61/85/20/495618520.db2.gz KYXYJOVZRANLMS-JTQLQIEISA-N -1 3 368.680 3.413 20 0 FGADHM Cc1oc(CN(C)CCCc2nc(-c3ccccc3)no2)cc1C(=O)[O-] ZINC000574525894 505793044 /nfs/dbraw/zinc/79/30/44/505793044.db2.gz VRPPRCCUFSXYFI-UHFFFAOYSA-N -1 3 355.394 3.401 20 0 FGADHM CCc1noc(C)c1CSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000154489043 495632534 /nfs/dbraw/zinc/63/25/34/495632534.db2.gz ASZMBXWUVONQCD-UHFFFAOYSA-N -1 3 367.434 3.260 20 0 FGADHM O=S(=O)(Cc1c(F)cccc1F)[N-][C@H](c1ccccc1)[C@H]1CCCO1 ZINC000179541783 495633902 /nfs/dbraw/zinc/63/39/02/495633902.db2.gz ITJNDCPQWHAXIW-QZTJIDSGSA-N -1 3 367.417 3.305 20 0 FGADHM CS(=O)(=O)CCOc1ccc(Cl)cc1NCc1cc([O-])cc(F)c1 ZINC000185596265 495637475 /nfs/dbraw/zinc/63/74/75/495637475.db2.gz BWNQSOMGHAFDIK-UHFFFAOYSA-N -1 3 373.833 3.220 20 0 FGADHM COC(=O)c1ccc(C(=O)Nc2cc(Br)ccc2[O-])cc1 ZINC000176435768 495649804 /nfs/dbraw/zinc/64/98/04/495649804.db2.gz OZGPEBXKJSGXRH-UHFFFAOYSA-N -1 3 350.168 3.194 20 0 FGADHM Cc1cc(C)n(-c2ccc([C@H](C)[N-]S(=O)(=O)c3c(C)noc3C)cc2)n1 ZINC000150836886 495651064 /nfs/dbraw/zinc/65/10/64/495651064.db2.gz RPURKETYFYBGMF-ZDUSSCGKSA-N -1 3 374.466 3.133 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-][C@H](C)c1ccc(OC(F)F)cc1 ZINC000154565359 495656388 /nfs/dbraw/zinc/65/63/88/495656388.db2.gz NQKQBWLJOGPZLC-SECBINFHSA-N -1 3 363.407 3.398 20 0 FGADHM Cn1c(SCC(=O)Nc2cc(F)ccc2[O-])nnc1-c1cccs1 ZINC000179644887 495675369 /nfs/dbraw/zinc/67/53/69/495675369.db2.gz WTHKOKCQWSKJTP-UHFFFAOYSA-N -1 3 364.427 3.119 20 0 FGADHM CC(C)[C@H](C(=O)Nc1cc(F)ccc1[O-])n1nnc(-c2ccccc2)n1 ZINC000179650374 495676353 /nfs/dbraw/zinc/67/63/53/495676353.db2.gz ZRNDCLLQIDLLKJ-MRXNPFEDSA-N -1 3 355.373 3.021 20 0 FGADHM CC[C@]1(C)CCCN(Cc2nc(=O)c3c(C)c(C(=O)OC)sc3[n-]2)C1 ZINC000173777760 495688578 /nfs/dbraw/zinc/68/85/78/495688578.db2.gz RINOIXWMDRLMRH-GOSISDBHSA-N -1 3 363.483 3.092 20 0 FGADHM CCn1c2ccccc2nc1[C@@H]1CCCN1C(=O)c1cccc2[n-]nnc21 ZINC000182756864 495691482 /nfs/dbraw/zinc/69/14/82/495691482.db2.gz IFRYGHAWNRYZAN-KRWDZBQOSA-N -1 3 360.421 3.305 20 0 FGADHM CCn1c2ccccc2nc1[C@@H]1CCCN1C(=O)c1cccc2nn[n-]c21 ZINC000182756864 495691488 /nfs/dbraw/zinc/69/14/88/495691488.db2.gz IFRYGHAWNRYZAN-KRWDZBQOSA-N -1 3 360.421 3.305 20 0 FGADHM CCn1c2ccccc2nc1[C@@H]1CCCN1C(=O)c1cccc2n[n-]nc21 ZINC000182756864 495691492 /nfs/dbraw/zinc/69/14/92/495691492.db2.gz IFRYGHAWNRYZAN-KRWDZBQOSA-N -1 3 360.421 3.305 20 0 FGADHM COc1cc(C(=O)[N-]c2ncc(Cc3ccc(F)c(F)c3)s2)on1 ZINC000154698665 495698848 /nfs/dbraw/zinc/69/88/48/495698848.db2.gz BLCJDDATTUBRQO-UHFFFAOYSA-N -1 3 351.334 3.261 20 0 FGADHM O=S(=O)([N-][C@H](c1ccccc1)[C@@H]1CCCO1)c1ccc(F)cc1F ZINC000171041958 495699958 /nfs/dbraw/zinc/69/99/58/495699958.db2.gz YXEFLGVYENFFPF-DOTOQJQBSA-N -1 3 353.390 3.163 20 0 FGADHM COc1cc(CN(C(=O)Cc2ccc([O-])cc2Cl)C2CC2)ccc1O ZINC000182835744 495722579 /nfs/dbraw/zinc/72/25/79/495722579.db2.gz NKNAANIMPXCVOY-UHFFFAOYSA-N -1 3 361.825 3.494 20 0 FGADHM CCCN1CCN(C(=O)c2cc(OC)c([O-])c(OC)c2)c2cc(F)ccc21 ZINC000568880082 505799749 /nfs/dbraw/zinc/79/97/49/505799749.db2.gz GIQVRGFMWYPNLL-UHFFFAOYSA-N -1 3 374.412 3.425 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H](C)[C@@H]2C)c1 ZINC000182851535 495727136 /nfs/dbraw/zinc/72/71/36/495727136.db2.gz QMZPHZKOLNEERY-NEPJUHHUSA-N -1 3 357.410 3.202 20 0 FGADHM COc1ccc(NC(=O)c2cc(-c3ccc(C)o3)[n-]n2)c(OC)c1OC ZINC000171111117 495728751 /nfs/dbraw/zinc/72/87/51/495728751.db2.gz ALSMAXNQLZYALC-UHFFFAOYSA-N -1 3 357.366 3.256 20 0 FGADHM COc1ccc(NC(=O)c2cc(-c3ccc(C)o3)n[n-]2)c(OC)c1OC ZINC000171111117 495728759 /nfs/dbraw/zinc/72/87/59/495728759.db2.gz ALSMAXNQLZYALC-UHFFFAOYSA-N -1 3 357.366 3.256 20 0 FGADHM C[C@@H](NC(=O)c1cccc([O-])c1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000182857739 495729631 /nfs/dbraw/zinc/72/96/31/495729631.db2.gz DNWPUYNZBHYMCQ-FOIQADDNSA-N -1 3 355.434 3.447 20 0 FGADHM Cc1cccc(C(=O)N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c1[O-] ZINC000182870575 495734496 /nfs/dbraw/zinc/73/44/96/495734496.db2.gz MGYNPJUSVKMSHA-LBPRGKRZSA-N -1 3 353.344 3.393 20 0 FGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)C1(c2cccs2)CCCCC1 ZINC000159459660 495736574 /nfs/dbraw/zinc/73/65/74/495736574.db2.gz JHGFJYQONWKYTJ-UHFFFAOYSA-N -1 3 367.478 3.447 20 0 FGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)C1(c2cccs2)CCCCC1 ZINC000159459660 495736583 /nfs/dbraw/zinc/73/65/83/495736583.db2.gz JHGFJYQONWKYTJ-UHFFFAOYSA-N -1 3 367.478 3.447 20 0 FGADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NC1CCCC1 ZINC000182896949 495747093 /nfs/dbraw/zinc/74/70/93/495747093.db2.gz FKLFHLYOLWFJRZ-IBGZPJMESA-N -1 3 352.434 3.312 20 0 FGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)[C@@H]2COc3cc(C)c(C)cc32)c1 ZINC000185858902 495752491 /nfs/dbraw/zinc/75/24/91/495752491.db2.gz IHFDYNWJYQRZNM-OAHLLOKOSA-N -1 3 374.462 3.098 20 0 FGADHM CCC[C@@H]1C[C@H](C(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)CCO1 ZINC000182916199 495756979 /nfs/dbraw/zinc/75/69/79/495756979.db2.gz HGFQJCXNOHTIJV-IAGOWNOFSA-N -1 3 374.481 3.165 20 0 FGADHM CC(=O)N[C@H](CC(=O)N1CCCc2cccc([O-])c21)c1ccc(F)cc1F ZINC000182919433 495758305 /nfs/dbraw/zinc/75/83/05/495758305.db2.gz WQCGSMHBRYACIS-QGZVFWFLSA-N -1 3 374.387 3.217 20 0 FGADHM C[C@H]1CCCCN1C(=O)c1ccc(NC([O-])=NOCc2cccnc2)cc1 ZINC000182941859 495767967 /nfs/dbraw/zinc/76/79/67/495767967.db2.gz DPDHRMKMEGJQBD-HNNXBMFYSA-N -1 3 368.437 3.350 20 0 FGADHM C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)[N-]OCc2cccnc2)cc1 ZINC000182941859 495767975 /nfs/dbraw/zinc/76/79/75/495767975.db2.gz DPDHRMKMEGJQBD-HNNXBMFYSA-N -1 3 368.437 3.350 20 0 FGADHM O=C(Cc1ccc([O-])cc1Cl)NCCCC(=O)N1Cc2ccccc2C1 ZINC000151193970 495768222 /nfs/dbraw/zinc/76/82/22/495768222.db2.gz OBDUSFZHFLEBRL-UHFFFAOYSA-N -1 3 372.852 3.027 20 0 FGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)CNc2c(C)cccc2C)c1 ZINC000173979499 495772887 /nfs/dbraw/zinc/77/28/87/495772887.db2.gz ZNSWHUCRJQQFCT-UHFFFAOYSA-N -1 3 361.467 3.034 20 0 FGADHM COc1cccc([C@@H]2C[C@@H]2C(=O)Nc2cc(C)ccc2[N-]S(C)(=O)=O)c1 ZINC000173977867 495773126 /nfs/dbraw/zinc/77/31/26/495773126.db2.gz DUTQYKXDEFOOBU-HOTGVXAUSA-N -1 3 374.462 3.117 20 0 FGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)[C@H]2CSc3ccccc32)c1 ZINC000173979944 495773985 /nfs/dbraw/zinc/77/39/85/495773985.db2.gz VJZPTDBUUMSNEX-ZDUSSCGKSA-N -1 3 362.476 3.195 20 0 FGADHM Cc1ccc(-c2cc(C(=O)Nc3ccc4c(c3)CN(C)C(=O)N4)n[n-]2)o1 ZINC000185907589 495775474 /nfs/dbraw/zinc/77/54/74/495775474.db2.gz FGXODVPVXLBYMP-UHFFFAOYSA-N -1 3 351.366 3.208 20 0 FGADHM Cc1ccc(-c2cc(C(=O)Nc3ccc4c(c3)CN(C)C(=O)N4)[n-]n2)o1 ZINC000185907589 495775480 /nfs/dbraw/zinc/77/54/80/495775480.db2.gz FGXODVPVXLBYMP-UHFFFAOYSA-N -1 3 351.366 3.208 20 0 FGADHM COc1csc(C(=O)[N-]c2nnc(Cc3cccc(OC)c3)s2)c1 ZINC000176787711 495783354 /nfs/dbraw/zinc/78/33/54/495783354.db2.gz OQDWRLGFUDKIBP-UHFFFAOYSA-N -1 3 361.448 3.460 20 0 FGADHM O=C(Cc1ccc([O-])cc1Cl)N(Cc1ccccc1)[C@@H](CO)C1CC1 ZINC000182980334 495783875 /nfs/dbraw/zinc/78/38/75/495783875.db2.gz NNUZKSXAPQUMME-IBGZPJMESA-N -1 3 359.853 3.388 20 0 FGADHM C[C@H](C(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1)c1cccs1 ZINC000151258071 495786883 /nfs/dbraw/zinc/78/68/83/495786883.db2.gz DFBPFDMQQCCVQE-ZDUSSCGKSA-N -1 3 358.463 3.435 20 0 FGADHM C[C@H](C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)n1cncn1 ZINC000179933808 495789797 /nfs/dbraw/zinc/78/97/97/495789797.db2.gz VEEWGPRNPPSCJR-LLVKDONJSA-N -1 3 365.418 3.460 20 0 FGADHM O=C(Nc1nnc(-c2ccco2)[n-]1)c1cnc(Cc2ccccc2)s1 ZINC000151293234 495796723 /nfs/dbraw/zinc/79/67/23/495796723.db2.gz DSKLZSXVUKWKSG-UHFFFAOYSA-N -1 3 351.391 3.364 20 0 FGADHM O=C(Nc1nc(-c2ccco2)n[n-]1)c1cnc(Cc2ccccc2)s1 ZINC000151293234 495796728 /nfs/dbraw/zinc/79/67/28/495796728.db2.gz DSKLZSXVUKWKSG-UHFFFAOYSA-N -1 3 351.391 3.364 20 0 FGADHM CCC[C@@H](C)CS(=O)(=O)[N-][C@H](C)c1nc(-c2cccc(OC)c2)no1 ZINC000174033936 495796916 /nfs/dbraw/zinc/79/69/16/495796916.db2.gz YNFKSOMBUSSATF-CHWSQXEVSA-N -1 3 367.471 3.162 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1ccc2c(c1)CCCC2)c1nc(C(C)(C)C)no1 ZINC000174040838 495799758 /nfs/dbraw/zinc/79/97/58/495799758.db2.gz TUHNMBPOHYOKRP-LBPRGKRZSA-N -1 3 363.483 3.285 20 0 FGADHM COc1cc(Br)c(S(=O)(=O)[N-]CC2CCC2)cc1Cl ZINC000176832456 495803690 /nfs/dbraw/zinc/80/36/90/495803690.db2.gz TZCSPMWQAIIWPV-UHFFFAOYSA-N -1 3 368.680 3.190 20 0 FGADHM Cc1nc(C)c(S(=O)(=O)[N-]CCCCOCc2ccccc2)s1 ZINC000176857877 495814278 /nfs/dbraw/zinc/81/42/78/495814278.db2.gz XYLKXQORAAHGDU-UHFFFAOYSA-N -1 3 354.497 3.035 20 0 FGADHM Cc1nc2n(n1)C[C@H](NC(=O)c1cc(C(C)C)cc(C(C)C)c1[O-])CC2 ZINC000171331284 495824473 /nfs/dbraw/zinc/82/44/73/495824473.db2.gz HILCVCUZHWEZIO-OAHLLOKOSA-N -1 3 356.470 3.284 20 0 FGADHM COc1cccc2c1n[n-]c2C(=O)Nc1ccnn1CCc1ccccc1 ZINC000568917620 505807502 /nfs/dbraw/zinc/80/75/02/505807502.db2.gz ZBIRZXTVFAINBX-UHFFFAOYSA-N -1 3 361.405 3.263 20 0 FGADHM COc1cccc2c(C(=O)Nc3ccnn3CCc3ccccc3)n[n-]c21 ZINC000568917620 505807503 /nfs/dbraw/zinc/80/75/03/505807503.db2.gz ZBIRZXTVFAINBX-UHFFFAOYSA-N -1 3 361.405 3.263 20 0 FGADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCO[C@H]([C@H]2CCCO2)C1 ZINC000155156307 495856276 /nfs/dbraw/zinc/85/62/76/495856276.db2.gz QHVNIFAVCGXZRM-RTWAWAEBSA-N -1 3 367.445 3.003 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)Nc2cccc(-c3cnco3)c2)c([O-])c1 ZINC000171400537 495856516 /nfs/dbraw/zinc/85/65/16/495856516.db2.gz HKDVCLZDVQMDEX-UHFFFAOYSA-N -1 3 365.389 3.114 20 0 FGADHM C[C@H](CCOc1ccccc1)C(=O)N(C)Cc1nc2ccsc2c(=O)[n-]1 ZINC000174211613 495865933 /nfs/dbraw/zinc/86/59/33/495865933.db2.gz VISLYVJMABQHGU-CYBMUJFWSA-N -1 3 371.462 3.048 20 0 FGADHM Cc1nc(C)c(S(=O)(=O)[N-][C@H]2CCCOc3cc(F)ccc32)s1 ZINC000180129038 495870490 /nfs/dbraw/zinc/87/04/90/495870490.db2.gz JDTLCDXBOBAOQG-ZDUSSCGKSA-N -1 3 356.444 3.091 20 0 FGADHM CC[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000186168582 495881346 /nfs/dbraw/zinc/88/13/46/495881346.db2.gz JKWCZAOJCJMZQB-OCCSQVGLSA-N -1 3 361.891 3.365 20 0 FGADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccncc2C)c2ccccc12 ZINC000180157690 495884283 /nfs/dbraw/zinc/88/42/83/495884283.db2.gz RSZCATZUTINABP-UHFFFAOYSA-N -1 3 355.419 3.302 20 0 FGADHM C[C@H](C(=O)NCc1ccc([O-])c(Br)c1)N1CCCCCC1 ZINC000151594583 495888761 /nfs/dbraw/zinc/88/87/61/495888761.db2.gz SAMDKVYRPCCAAB-GFCCVEGCSA-N -1 3 355.276 3.035 20 0 FGADHM COc1ccccc1NC(=O)C1CCN(Cc2cc([O-])cc(F)c2)CC1 ZINC000186189775 495890395 /nfs/dbraw/zinc/89/03/95/495890395.db2.gz HECWMUXSOHOHEP-UHFFFAOYSA-N -1 3 358.413 3.391 20 0 FGADHM Cc1nc([C@](C)([N-]S(=O)(=O)Cc2ccc3ccccc3c2)C2CC2)no1 ZINC000568943783 505813498 /nfs/dbraw/zinc/81/34/98/505813498.db2.gz FBXDYYUYNQQVQT-LJQANCHMSA-N -1 3 371.462 3.276 20 0 FGADHM Cc1ccc(OCC(=O)NCc2ccc([O-])c(Br)c2)c(C)c1 ZINC000151618604 495896008 /nfs/dbraw/zinc/89/60/08/495896008.db2.gz GAGGZQCEDOSBDD-UHFFFAOYSA-N -1 3 364.239 3.467 20 0 FGADHM O=C(COc1cccc(NC(=O)c2ccco2)c1)Nc1ccc([O-])cc1F ZINC000183282252 495914693 /nfs/dbraw/zinc/91/46/93/495914693.db2.gz JDFFBKOGIRLDDG-UHFFFAOYSA-N -1 3 370.336 3.394 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)Nc2ccc(Cl)cc2F)c([O-])c1 ZINC000183299638 495921307 /nfs/dbraw/zinc/92/13/07/495921307.db2.gz GKQZRLROCHOOMD-UHFFFAOYSA-N -1 3 350.777 3.252 20 0 FGADHM Cc1ccccc1[C@@H](CC(=O)N1CC[C@H](C)c2cccc([O-])c21)NC(N)=O ZINC000186279420 495926050 /nfs/dbraw/zinc/92/60/50/495926050.db2.gz AYUVIRPRRKUJAL-WMLDXEAASA-N -1 3 367.449 3.341 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)c3ncccc3C(F)(F)F)[n-]c21 ZINC000180276943 495933621 /nfs/dbraw/zinc/93/36/21/495933621.db2.gz RFNORFNIORBXAQ-UHFFFAOYSA-N -1 3 364.283 3.016 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3ncccc3C(F)(F)F)nc21 ZINC000180276943 495933623 /nfs/dbraw/zinc/93/36/23/495933623.db2.gz RFNORFNIORBXAQ-UHFFFAOYSA-N -1 3 364.283 3.016 20 0 FGADHM COc1cccc(C(=O)N2CCO[C@H](c3ccc(F)cc3Cl)C2)c1[O-] ZINC000186325070 495947653 /nfs/dbraw/zinc/94/76/53/495947653.db2.gz PCOGOXWGPPVRRL-INIZCTEOSA-N -1 3 365.788 3.407 20 0 FGADHM Cc1noc(C)c1C[N-]S(=O)(=O)c1ccccc1C(=O)c1ccccc1 ZINC000186427582 495993260 /nfs/dbraw/zinc/99/32/60/495993260.db2.gz PROZVPTXMSWIEL-UHFFFAOYSA-N -1 3 370.430 3.001 20 0 FGADHM Cc1oc2ccc(NC(=O)NCCNC(=O)c3ccc([O-])cc3)cc2c1C ZINC000186444573 496001274 /nfs/dbraw/zinc/00/12/74/496001274.db2.gz BGZQTSICWKCISC-UHFFFAOYSA-N -1 3 367.405 3.307 20 0 FGADHM O=S(=O)([N-][C@H](c1nccs1)c1ccccc1)c1ccc(F)cc1F ZINC000171713641 496001992 /nfs/dbraw/zinc/00/19/92/496001992.db2.gz MBLKLRHGEZIUCG-HNNXBMFYSA-N -1 3 366.414 3.489 20 0 FGADHM CC(C)CC[C@H](NC(=O)c1cccc([C@]2(C)NC(=O)[N-]C2=O)c1)C(C)(C)C ZINC000151991403 496014926 /nfs/dbraw/zinc/01/49/26/496014926.db2.gz HZPROTNRQXRUKT-KKSFZXQISA-N -1 3 373.497 3.322 20 0 FGADHM CC(C)[C@H]([N-]S(=O)(=O)c1cc2ccccc2o1)c1nnc2ccccn21 ZINC000155685219 496035977 /nfs/dbraw/zinc/03/59/77/496035977.db2.gz AUWQWKKDORPOOR-KRWDZBQOSA-N -1 3 370.434 3.151 20 0 FGADHM C[C@H]1CCC[C@H](NC(=O)Cc2csc(NC(=O)c3cccc([O-])c3)n2)C1 ZINC000177395893 496045366 /nfs/dbraw/zinc/04/53/66/496045366.db2.gz FQAQNNRRNUSBFQ-JSGCOSHPSA-N -1 3 373.478 3.338 20 0 FGADHM Cc1nc(C)c(CCC(=O)N[C@@H](CC2CCC2)c2ccccc2)c(=O)[n-]1 ZINC000180638380 496081149 /nfs/dbraw/zinc/08/11/49/496081149.db2.gz YNSFZWGQMFHEAS-IBGZPJMESA-N -1 3 353.466 3.367 20 0 FGADHM CCCOc1ncccc1CNC(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000155838111 496083854 /nfs/dbraw/zinc/08/38/54/496083854.db2.gz KVQKMCLLQYPIDI-UHFFFAOYSA-N -1 3 369.396 3.089 20 0 FGADHM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H](C)c2nccs2)c1 ZINC000186671406 496101098 /nfs/dbraw/zinc/10/10/98/496101098.db2.gz YUJISSVCELDXFB-SECBINFHSA-N -1 3 358.872 3.081 20 0 FGADHM CC(=O)N(C)c1ccc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)cc1 ZINC000155897999 496101603 /nfs/dbraw/zinc/10/16/03/496101603.db2.gz UTJVRALBNOTUML-UHFFFAOYSA-N -1 3 367.380 3.211 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC(OCCC(C)C)CC3)nc2)n1 ZINC000171944877 496103753 /nfs/dbraw/zinc/10/37/53/496103753.db2.gz QHGWAUYVISTRHX-UHFFFAOYSA-N -1 3 370.497 3.426 20 0 FGADHM O=C(CSc1nnc(-c2cccnc2)n1C1CC1)Nc1ccccc1[O-] ZINC000180683884 496103742 /nfs/dbraw/zinc/10/37/42/496103742.db2.gz KFIFVCBORJRCKV-UHFFFAOYSA-N -1 3 367.434 3.111 20 0 FGADHM CS(=O)(=O)[N-]c1cc(NC(=O)c2ccc(-c3ccccc3)[nH]2)ccc1F ZINC000171952524 496106686 /nfs/dbraw/zinc/10/66/86/496106686.db2.gz RGRJTCQKGRKDTE-UHFFFAOYSA-N -1 3 373.409 3.445 20 0 FGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000171985789 496118372 /nfs/dbraw/zinc/11/83/72/496118372.db2.gz BMUQBIIMWVAXNQ-QWQRMKEZSA-N -1 3 368.481 3.014 20 0 FGADHM Cc1cccc([C@H](C)S(=O)(=O)Cc2nc(C(F)(F)F)cc(=O)[n-]2)c1 ZINC000155993820 496127930 /nfs/dbraw/zinc/12/79/30/496127930.db2.gz NCTGGFKQOIBEEE-JTQLQIEISA-N -1 3 360.357 3.185 20 0 FGADHM CSc1nsc([N-]C(=O)c2n[nH]c(C(C)C)c2Br)n1 ZINC000156022822 496135807 /nfs/dbraw/zinc/13/58/07/496135807.db2.gz NPMLOJKWCRXVSK-UHFFFAOYSA-N -1 3 362.278 3.121 20 0 FGADHM CSc1nsc([N-]C(=O)c2ccn(-c3cccc(Cl)c3)n2)n1 ZINC000156028732 496137269 /nfs/dbraw/zinc/13/72/69/496137269.db2.gz OJVMFYNXWIPSAH-UHFFFAOYSA-N -1 3 351.844 3.351 20 0 FGADHM O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)Nc1cc(F)ccc1[O-] ZINC000174880047 496146051 /nfs/dbraw/zinc/14/60/51/496146051.db2.gz KTAGFPLAXVAZJJ-UHFFFAOYSA-N -1 3 357.168 3.207 20 0 FGADHM C[C@H](CNC(=O)c1ccc(O)cc1[O-])Oc1ccccc1Br ZINC000177648841 496146142 /nfs/dbraw/zinc/14/61/42/496146142.db2.gz PFWITBHJGXXKJY-SNVBAGLBSA-N -1 3 366.211 3.058 20 0 FGADHM CC(C)c1ccccc1NC(=O)c1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000177648418 496146437 /nfs/dbraw/zinc/14/64/37/496146437.db2.gz NKWQYQKYUCWIGL-HXUWFJFHSA-N -1 3 351.406 3.117 20 0 FGADHM CC[C@H]1CN(C(=O)c2ccc(C(=O)c3cccc([O-])c3)cc2)C[C@@H](C)O1 ZINC000186820655 496166589 /nfs/dbraw/zinc/16/65/89/496166589.db2.gz ODGQNHGSUJKPHS-KUHUBIRLSA-N -1 3 353.418 3.263 20 0 FGADHM O=C(c1ccccc1NC([O-])=NOCCC(F)(F)F)N1CCCCC1 ZINC000156183012 496180110 /nfs/dbraw/zinc/18/01/10/496180110.db2.gz KIPUSGAQFQCJOU-UHFFFAOYSA-N -1 3 359.348 3.318 20 0 FGADHM O=C([N-]OCCC(F)(F)F)Nc1ccccc1C(=O)N1CCCCC1 ZINC000156183012 496180114 /nfs/dbraw/zinc/18/01/14/496180114.db2.gz KIPUSGAQFQCJOU-UHFFFAOYSA-N -1 3 359.348 3.318 20 0 FGADHM CC[C@@H](CNC(=O)c1c[n-]c2ccccc2c1=O)Oc1ccccc1C ZINC000174973591 496188416 /nfs/dbraw/zinc/18/84/16/496188416.db2.gz FBEMRIVPYQZTBN-HNNXBMFYSA-N -1 3 350.418 3.424 20 0 FGADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)NCC3(C)CCC3)cs2)c1 ZINC000184007833 496198292 /nfs/dbraw/zinc/19/82/92/496198292.db2.gz DJQQDVYRJNZIBI-UHFFFAOYSA-N -1 3 373.478 3.258 20 0 FGADHM CC(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)Nc1ccc(C)cc1[O-] ZINC000175001553 496201830 /nfs/dbraw/zinc/20/18/30/496201830.db2.gz IKRPDVWYFIXAIQ-SFHVURJKSA-N -1 3 369.396 3.007 20 0 FGADHM CCOC(=O)c1cc(NC(=O)[C@H](C)Oc2ccccc2C(F)(F)F)n[n-]1 ZINC000180925663 496202269 /nfs/dbraw/zinc/20/22/69/496202269.db2.gz UZBOIPALWRISRX-VIFPVBQESA-N -1 3 371.315 3.011 20 0 FGADHM CCOC(=O)c1cc(NC(=O)[C@H](C)Oc2ccccc2C(F)(F)F)[n-]n1 ZINC000180925663 496202274 /nfs/dbraw/zinc/20/22/74/496202274.db2.gz UZBOIPALWRISRX-VIFPVBQESA-N -1 3 371.315 3.011 20 0 FGADHM CCOC(=O)c1cc(NC(=O)CCCc2ncc(-c3ccccc3)o2)n[n-]1 ZINC000180940413 496208742 /nfs/dbraw/zinc/20/87/42/496208742.db2.gz MJCCAWDUGPIAOB-UHFFFAOYSA-N -1 3 368.393 3.203 20 0 FGADHM CCOC(=O)c1cc(NC(=O)CCCc2ncc(-c3ccccc3)o2)[n-]n1 ZINC000180940413 496208745 /nfs/dbraw/zinc/20/87/45/496208745.db2.gz MJCCAWDUGPIAOB-UHFFFAOYSA-N -1 3 368.393 3.203 20 0 FGADHM [O-]C(=NO[C@H]1CCCCO1)Nc1ccc(-c2noc(C(F)(F)F)n2)cc1 ZINC000186950043 496226073 /nfs/dbraw/zinc/22/60/73/496226073.db2.gz PBDPAGZPABKQDU-NSHDSACASA-N -1 3 372.303 3.335 20 0 FGADHM O=C([N-]O[C@H]1CCCCO1)Nc1ccc(-c2noc(C(F)(F)F)n2)cc1 ZINC000186950043 496226078 /nfs/dbraw/zinc/22/60/78/496226078.db2.gz PBDPAGZPABKQDU-NSHDSACASA-N -1 3 372.303 3.335 20 0 FGADHM Cc1c([O-])ccc2c(CN3CC[C@H](C)[C@H](n4ccnc4)C3)cc(=O)oc12 ZINC000156414646 496239463 /nfs/dbraw/zinc/23/94/63/496239463.db2.gz NRFNBDWMIWLSDO-SUMWQHHRSA-N -1 3 353.422 3.087 20 0 FGADHM CCCOc1ccc(CNc2ccc(F)c(S(=O)(=O)[N-]C)c2)cc1 ZINC000571866798 505832404 /nfs/dbraw/zinc/83/24/04/505832404.db2.gz FKZFOTXBXIOKRY-UHFFFAOYSA-N -1 3 352.431 3.135 20 0 FGADHM CC(C)c1ccc(-n2cc([O-])c(C(=O)N(C)[C@H]3CCN(C)[C@@H](C)C3)n2)cc1 ZINC000175104240 496247999 /nfs/dbraw/zinc/24/79/99/496247999.db2.gz SKICTODVBRAPOS-YJBOKZPZSA-N -1 3 370.497 3.256 20 0 FGADHM O=C(CCOc1ccccc1F)NCc1ccc([O-])c(Br)c1 ZINC000156516778 496266997 /nfs/dbraw/zinc/26/69/97/496266997.db2.gz XVJARCZCEJLUPF-UHFFFAOYSA-N -1 3 368.202 3.379 20 0 FGADHM CSCCN(C)C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000184172240 496270170 /nfs/dbraw/zinc/27/01/70/496270170.db2.gz KAMMFOBLWDISGD-GOSISDBHSA-N -1 3 372.490 3.075 20 0 FGADHM CCc1ccc([C@@H](CO)[N-]S(=O)(=O)c2ccccc2C(F)(F)F)cc1 ZINC000156530548 496270459 /nfs/dbraw/zinc/27/04/59/496270459.db2.gz BLIIEOWUQGUAIR-OAHLLOKOSA-N -1 3 373.396 3.280 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCN3C(C)=O)c(C)c1 ZINC000156529161 496270575 /nfs/dbraw/zinc/27/05/75/496270575.db2.gz VNHUXMBQLOWDSR-UHFFFAOYSA-N -1 3 374.462 3.104 20 0 FGADHM COc1cc(C)c([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)cc1F ZINC000187069575 496280046 /nfs/dbraw/zinc/28/00/46/496280046.db2.gz BGCXGWBSEBRHLH-NSHDSACASA-N -1 3 351.399 3.267 20 0 FGADHM O=C([O-])[C@H](c1ccccc1)N1CC[C@@H](NC2CC3(C2)CCCCC3)C1=O ZINC000571872843 505834331 /nfs/dbraw/zinc/83/43/31/505834331.db2.gz DAERWMWXZHSGLK-MSOLQXFVSA-N -1 3 356.466 3.116 20 0 FGADHM C[C@@H]([C@H](C)NC(=O)c1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1)C1CCCCC1 ZINC000178001814 496283265 /nfs/dbraw/zinc/28/32/65/496283265.db2.gz CWZVURBOPQFKAL-DGCWBMGLSA-N -1 3 371.481 3.076 20 0 FGADHM CCN1CC[C@@H]([NH2+]Cc2ncccc2[O-])[C@H]1c1cc(F)c(F)c(F)c1 ZINC000577986452 505834637 /nfs/dbraw/zinc/83/46/37/505834637.db2.gz CXMPZYMAQBGKHY-RDTXWAMCSA-N -1 3 351.372 3.130 20 0 FGADHM CCN1CC[C@@H](NCc2ncccc2[O-])[C@H]1c1cc(F)c(F)c(F)c1 ZINC000577986452 505834640 /nfs/dbraw/zinc/83/46/40/505834640.db2.gz CXMPZYMAQBGKHY-RDTXWAMCSA-N -1 3 351.372 3.130 20 0 FGADHM O=C(NCc1ccc([O-])c(Br)c1)c1cnc2ccccc2n1 ZINC000178020593 496290263 /nfs/dbraw/zinc/29/02/63/496290263.db2.gz IKGUBKAHDXEJHR-UHFFFAOYSA-N -1 3 358.195 3.028 20 0 FGADHM CS(=O)(=O)[N-]c1cc(NC(=O)[C@@H]2C[C@]23CCc2ccccc23)ccc1F ZINC000175209467 496293022 /nfs/dbraw/zinc/29/30/22/496293022.db2.gz GIOXVMKFNZSHHH-KXBFYZLASA-N -1 3 374.437 3.040 20 0 FGADHM O=S(=O)([N-]CC1CCSCC1)c1ccc(Br)cc1F ZINC000162087443 496293731 /nfs/dbraw/zinc/29/37/31/496293731.db2.gz LKOIFEVTVKBFBA-UHFFFAOYSA-N -1 3 368.293 3.010 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)NC[C@@H]3CCCO[C@H]3C(C)C)c[n-]c12 ZINC000156683074 496310451 /nfs/dbraw/zinc/31/04/51/496310451.db2.gz VJBFRQMLTFKBEQ-DJJJIMSYSA-N -1 3 360.429 3.157 20 0 FGADHM COc1cc(C(=O)NCCCCN(C)c2ccccc2)cc(OC)c1[O-] ZINC000162210345 496315104 /nfs/dbraw/zinc/31/51/04/496315104.db2.gz RQSNHMZUICIXCU-UHFFFAOYSA-N -1 3 358.438 3.056 20 0 FGADHM COc1ccc(-c2nc(NC(=O)c3cc(C)ccc3C)n[n-]2)c(OC)c1 ZINC000162229886 496318735 /nfs/dbraw/zinc/31/87/35/496318735.db2.gz WSRRCHNVIWJLSB-UHFFFAOYSA-N -1 3 352.394 3.358 20 0 FGADHM Cc1cc(C)c2[n-]cc(C(=O)N3CCC(n4cccn4)CC3)c(=O)c2c1 ZINC000162298593 496330842 /nfs/dbraw/zinc/33/08/42/496330842.db2.gz PGVWKAVWHASDLT-UHFFFAOYSA-N -1 3 350.422 3.231 20 0 FGADHM COc1cc(C(=O)NCc2ccc(Br)cc2)cc(OC)c1[O-] ZINC000162410734 496347608 /nfs/dbraw/zinc/34/76/08/496347608.db2.gz JXUXRFIPAWQIGV-UHFFFAOYSA-N -1 3 366.211 3.102 20 0 FGADHM Cc1nc(S(=O)(=O)C[C@H]2Cc3ccccc3O2)[n-]c1Cc1ccccc1 ZINC000156874738 496354487 /nfs/dbraw/zinc/35/44/87/496354487.db2.gz KATYAMUQIDKDLA-QGZVFWFLSA-N -1 3 368.458 3.086 20 0 FGADHM Cc1[n-]c(S(=O)(=O)C[C@H]2Cc3ccccc3O2)nc1Cc1ccccc1 ZINC000156874738 496354492 /nfs/dbraw/zinc/35/44/92/496354492.db2.gz KATYAMUQIDKDLA-QGZVFWFLSA-N -1 3 368.458 3.086 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)[C@@H]3C[C@H]3c3sccc3C)[n-]c21 ZINC000162526136 496367913 /nfs/dbraw/zinc/36/79/13/496367913.db2.gz QFEDTKSBFVLFOR-VXGBXAGGSA-N -1 3 355.419 3.462 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@@H]3C[C@H]3c3sccc3C)nc21 ZINC000162526136 496367920 /nfs/dbraw/zinc/36/79/20/496367920.db2.gz QFEDTKSBFVLFOR-VXGBXAGGSA-N -1 3 355.419 3.462 20 0 FGADHM COC(=O)c1sccc1S(=O)(=O)[N-]CCCc1ccc(Cl)cc1 ZINC000156982561 496378794 /nfs/dbraw/zinc/37/87/94/496378794.db2.gz XIJVEEVUCCTYHY-UHFFFAOYSA-N -1 3 373.883 3.099 20 0 FGADHM CCc1ccccc1C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000153296205 496411644 /nfs/dbraw/zinc/41/16/44/496411644.db2.gz FCKRDYJKAXODGZ-UHFFFAOYSA-N -1 3 362.451 3.272 20 0 FGADHM Cc1ccc(Cl)c(NC(=O)NCCCNC(=O)c2cccc([O-])c2)c1 ZINC000162917082 496433986 /nfs/dbraw/zinc/43/39/86/496433986.db2.gz ZWIOZLAACOFVRE-UHFFFAOYSA-N -1 3 361.829 3.296 20 0 FGADHM COc1cc(C(=O)NCCc2nc(C(C)(C)C)cs2)cc(OC)c1[O-] ZINC000162958129 496440278 /nfs/dbraw/zinc/44/02/78/496440278.db2.gz 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COC(=O)c1cccc2nc(NC(=O)[C@@H](C)Oc3cccc(C)c3)[n-]c21 ZINC000157812182 496561976 /nfs/dbraw/zinc/56/19/76/496561976.db2.gz YWNVWZAJMUKBRK-GFCCVEGCSA-N -1 3 353.378 3.064 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@@H](C)Oc3cccc(C)c3)nc21 ZINC000157812182 496561979 /nfs/dbraw/zinc/56/19/79/496561979.db2.gz YWNVWZAJMUKBRK-GFCCVEGCSA-N -1 3 353.378 3.064 20 0 FGADHM CC(C)(C)Oc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3)cc1 ZINC000157886308 496577513 /nfs/dbraw/zinc/57/75/13/496577513.db2.gz AYRWLGXTOHZKDA-UHFFFAOYSA-N -1 3 360.435 3.159 20 0 FGADHM COc1cccc2[nH]cc(CC(=O)Nc3nnc(-c4ccc(C)o4)[n-]3)c21 ZINC000181874662 496581685 /nfs/dbraw/zinc/58/16/85/496581685.db2.gz ZUTJHSSBKWNBJA-UHFFFAOYSA-N -1 3 351.366 3.044 20 0 FGADHM COc1cccc2[nH]cc(CC(=O)Nc3nc(-c4ccc(C)o4)n[n-]3)c21 ZINC000181874662 496581690 /nfs/dbraw/zinc/58/16/90/496581690.db2.gz ZUTJHSSBKWNBJA-UHFFFAOYSA-N -1 3 351.366 3.044 20 0 FGADHM COc1cccc2[nH]cc(CC(=O)Nc3n[n-]c(-c4ccc(C)o4)n3)c21 ZINC000181874662 496581694 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O=C([N-]c1cncnc1-n1cccn1)c1cc(-c2cccc(Cl)c2)no1 ZINC000181977308 496620608 /nfs/dbraw/zinc/62/06/08/496620608.db2.gz MOACWZDYBAEPMU-UHFFFAOYSA-N -1 3 366.768 3.223 20 0 FGADHM C[C@H](CCc1cccc(F)c1)C(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000173276840 496622944 /nfs/dbraw/zinc/62/29/44/496622944.db2.gz LTILRZGDLVQRLN-CYBMUJFWSA-N -1 3 364.442 3.405 20 0 FGADHM Cc1cccc(S(=O)(=O)CCCSc2n[n-]c(-c3ccccn3)n2)c1 ZINC000164966623 496641579 /nfs/dbraw/zinc/64/15/79/496641579.db2.gz HWSHMHVDUJXEND-UHFFFAOYSA-N -1 3 374.491 3.131 20 0 FGADHM Cc1cccc2c(=O)c(C(=O)N3CCC[C@H](Cc4nccn4C)C3)c[n-]c12 ZINC000165007677 496643657 /nfs/dbraw/zinc/64/36/57/496643657.db2.gz FGAIZQPRZBJCPX-OAHLLOKOSA-N -1 3 364.449 3.077 20 0 FGADHM O=C(CCSc1ccccc1Br)[N-]OC[C@H]1CCOC1 ZINC000188020709 496654231 /nfs/dbraw/zinc/65/42/31/496654231.db2.gz ALZVQUIWOMUFDP-NSHDSACASA-N -1 3 360.273 3.016 20 0 FGADHM CCc1cc(=O)[n-]c(CN[C@@H](C)c2ccc(OC)c(Br)c2)n1 ZINC000182070185 496658076 /nfs/dbraw/zinc/65/80/76/496658076.db2.gz 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Cc1cc(Cl)c(C(=O)NCCCNC(=O)c2cccc([O-])c2)cc1C ZINC000182263994 496722781 /nfs/dbraw/zinc/72/27/81/496722781.db2.gz KHMWDXWHOILVRH-UHFFFAOYSA-N -1 3 360.841 3.212 20 0 FGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@@H]1CCCc2ccc(C)cc21 ZINC000179275696 496724565 /nfs/dbraw/zinc/72/45/65/496724565.db2.gz ZCPPOUDPBWAXCN-CQSZACIVSA-N -1 3 365.476 3.199 20 0 FGADHM COc1cccc(C2CCN(Cc3c([O-])nnn3-c3ccccc3)CC2)c1 ZINC000194841849 496731952 /nfs/dbraw/zinc/73/19/52/496731952.db2.gz VZMHROFORQKRTR-UHFFFAOYSA-N -1 3 364.449 3.361 20 0 FGADHM CC[C@H](C(=O)N1CCc2c(=O)[n-]cnc2C1)c1cccc(C(F)(F)F)c1 ZINC000273198861 496738086 /nfs/dbraw/zinc/73/80/86/496738086.db2.gz HZHJFQWCNHZDIJ-ZDUSSCGKSA-N -1 3 365.355 3.280 20 0 FGADHM CCOc1c(Cl)cc(CN[C@@H](C(=O)[O-])c2ccc(O)cc2)cc1OC ZINC000277335914 496739600 /nfs/dbraw/zinc/73/96/00/496739600.db2.gz OPVJSUCXIXICAR-MRXNPFEDSA-N -1 3 365.813 3.368 20 0 FGADHM COc1ccc(CN2CCC[C@](CO)(C(C)C)C2)c(Br)c1[O-] ZINC000569151645 505863620 /nfs/dbraw/zinc/86/36/20/505863620.db2.gz 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ZINC000264126938 496818221 /nfs/dbraw/zinc/81/82/21/496818221.db2.gz WEQVJVWQQIZMKQ-SFHVURJKSA-N -1 3 374.448 3.197 20 0 FGADHM O=c1cc(CS(=O)(=O)Cc2ccc(Cl)cc2Cl)nc(C2CC2)[n-]1 ZINC000572006671 505868031 /nfs/dbraw/zinc/86/80/31/505868031.db2.gz RHDYSRBPSGXHEE-UHFFFAOYSA-N -1 3 373.261 3.481 20 0 FGADHM Cc1c(Br)cccc1CS(=O)(=O)c1nnc(C(C)(C)C)[n-]1 ZINC000195175934 496841730 /nfs/dbraw/zinc/84/17/30/496841730.db2.gz MJPVSLNSCMPIOZ-UHFFFAOYSA-N -1 3 372.288 3.147 20 0 FGADHM Cc1c(Br)cccc1CS(=O)(=O)c1nc(C(C)(C)C)n[n-]1 ZINC000195175934 496841737 /nfs/dbraw/zinc/84/17/37/496841737.db2.gz MJPVSLNSCMPIOZ-UHFFFAOYSA-N -1 3 372.288 3.147 20 0 FGADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)[C@H]1CC=CCC1 ZINC000264254331 496852793 /nfs/dbraw/zinc/85/27/93/496852793.db2.gz LFUZGJRKILZDNP-JTQLQIEISA-N -1 3 362.373 3.372 20 0 FGADHM O=C(Nc1ccccc1[O-])C1CCN(C(=O)NC[C@H]2CC=CCC2)CC1 ZINC000195239754 496857389 /nfs/dbraw/zinc/85/73/89/496857389.db2.gz YRHBJJVJYFOYMU-HNNXBMFYSA-N -1 3 357.454 3.109 20 0 FGADHM Cc1nnc([C@@H](C)[N-]S(=O)(=O)Cc2ccccc2C(F)(F)F)s1 ZINC000273631911 496858325 /nfs/dbraw/zinc/85/83/25/496858325.db2.gz SMBVOVARSFPTRP-MRVPVSSYSA-N -1 3 365.402 3.046 20 0 FGADHM CCCS(=O)(=O)[N-]c1ccc(-c2nc(CCC(F)(F)F)no2)cc1 ZINC000273646194 496862442 /nfs/dbraw/zinc/86/24/42/496862442.db2.gz CRWYFQUOXVIJCP-UHFFFAOYSA-N -1 3 363.361 3.383 20 0 FGADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1c[nH]nc1-c1cc2ccccc2o1 ZINC000188679178 496874427 /nfs/dbraw/zinc/87/44/27/496874427.db2.gz FSXFFMOZDRBPFE-UHFFFAOYSA-N -1 3 362.271 3.212 20 0 FGADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1c[nH]nc1-c1cc2ccccc2o1 ZINC000188679178 496874432 /nfs/dbraw/zinc/87/44/32/496874432.db2.gz FSXFFMOZDRBPFE-UHFFFAOYSA-N -1 3 362.271 3.212 20 0 FGADHM CCc1ccc(C(=O)Nc2ccc(C)c(N3CCCS3(=O)=O)c2)c([O-])c1 ZINC000191753285 496878905 /nfs/dbraw/zinc/87/89/05/496878905.db2.gz BYBMZVCWVMCTRR-UHFFFAOYSA-N -1 3 374.462 3.055 20 0 FGADHM COc1cccc(F)c1C(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000269275901 496910200 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O=c1[nH]c(CC(F)(F)F)c([O-])n1-c1cccc(COCc2ccco2)c1 ZINC000277918812 496935931 /nfs/dbraw/zinc/93/59/31/496935931.db2.gz AYPGKYIPAKLLPF-AWEZNQCLSA-N -1 3 368.311 3.374 20 0 FGADHM CC(C)c1ccc(C(=O)N2CCC[C@@H](c3nncn3C3CC3)C2)c([O-])c1 ZINC000264600155 496940733 /nfs/dbraw/zinc/94/07/33/496940733.db2.gz DNAYIZSSTSLRIM-OAHLLOKOSA-N -1 3 354.454 3.462 20 0 FGADHM CCOc1cc(C(=O)N[C@H](C)c2n[nH]c(C(C)C)n2)cc(Cl)c1[O-] ZINC000273889379 496947258 /nfs/dbraw/zinc/94/72/58/496947258.db2.gz VBLUPBIGOPKSKO-SECBINFHSA-N -1 3 352.822 3.177 20 0 FGADHM C[C@@H](NC(=O)c1ccc(O)cc1[O-])[C@@H](OC1CCOCC1)c1ccccc1 ZINC000269518030 496962391 /nfs/dbraw/zinc/96/23/91/496962391.db2.gz KXLYRSOTAMBNAZ-JLTOFOAXSA-N -1 3 371.433 3.153 20 0 FGADHM CCc1ccc(C(=O)N2CCC[C@H](c3nnc4n3CCCCC4)C2)c([O-])c1 ZINC000189035860 496986141 /nfs/dbraw/zinc/98/61/41/496986141.db2.gz PODDAQXMSJTKHM-INIZCTEOSA-N -1 3 368.481 3.292 20 0 FGADHM COc1cc(C)cc(-c2nc(CC(=O)N[C@H](C)c3ccccc3)no2)c1[O-] ZINC000278075295 496996466 /nfs/dbraw/zinc/99/64/66/496996466.db2.gz WETCHZCQTRNCMM-CYBMUJFWSA-N -1 3 367.405 3.179 20 0 FGADHM COc1cc(C(=O)N2CCC(C(=O)c3ccccc3)CC2)cc(OC)c1[O-] ZINC000269924390 497024779 /nfs/dbraw/zinc/02/47/79/497024779.db2.gz JSYHQLNGLZLOAO-UHFFFAOYSA-N -1 3 369.417 3.145 20 0 FGADHM COc1c(Cl)cc(-n2c([O-])c(CC(F)(F)F)[nH]c2=O)cc1Cl ZINC000278185254 497031220 /nfs/dbraw/zinc/03/12/20/497031220.db2.gz PSPDSJWRFATLGV-MRVPVSSYSA-N -1 3 357.115 3.379 20 0 FGADHM CC(=O)NCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)cc1 ZINC000265061803 497039422 /nfs/dbraw/zinc/03/94/22/497039422.db2.gz TXMFSSVKYJPIKL-UHFFFAOYSA-N -1 3 358.463 3.002 20 0 FGADHM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1CC(=O)Nc1ccccc1C(F)(F)F ZINC000248559693 497040159 /nfs/dbraw/zinc/04/01/59/497040159.db2.gz MUABQPPISDOKOP-CQDKDKBSSA-N -1 3 370.371 3.362 20 0 FGADHM COC(=O)C[C@@H]([N-]C(=O)C(F)(F)c1ncccc1C)c1ccc(F)cc1 ZINC000278212540 497040279 /nfs/dbraw/zinc/04/02/79/497040279.db2.gz GZJHLORUUVKVDU-CQSZACIVSA-N -1 3 366.339 3.042 20 0 FGADHM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cccc(CN2CCCC2)c1 ZINC000248567682 497042528 /nfs/dbraw/zinc/04/25/28/497042528.db2.gz QOVZDPFAXLNZCD-WDSOQIARSA-N -1 3 356.466 3.140 20 0 FGADHM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1cccc(CN2CCCC2)c1 ZINC000248567676 497042994 /nfs/dbraw/zinc/04/29/94/497042994.db2.gz QOVZDPFAXLNZCD-UHOSZYNNSA-N -1 3 356.466 3.140 20 0 FGADHM COCCCOc1cccc(NC(=O)c2n[n-]nc2-c2ccccc2)c1 ZINC000189230920 497053463 /nfs/dbraw/zinc/05/34/63/497053463.db2.gz AMBIUVPDDXQONV-UHFFFAOYSA-N -1 3 352.394 3.139 20 0 FGADHM O=C(c1c[n-]c2ccccc2c1=O)N1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC000572072076 505881588 /nfs/dbraw/zinc/88/15/88/505881588.db2.gz XUUMNCZCKXYSKC-OAHLLOKOSA-N -1 3 368.820 3.475 20 0 FGADHM CCCC(=O)Nc1ccc(CNC(=O)c2c[n-]nc2-c2ccccn2)cc1 ZINC000580983164 505882422 /nfs/dbraw/zinc/88/24/22/505882422.db2.gz UUQAMKYMKIVHNG-UHFFFAOYSA-N -1 3 363.421 3.140 20 0 FGADHM COc1cc(Br)c(C[N-]c2nnc(C(F)F)o2)c(OC)c1 ZINC000189286003 497069397 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O=S(=O)([N-]CC1CCCCC1)c1ccc(Br)c(F)c1 ZINC000230584789 497105984 /nfs/dbraw/zinc/10/59/84/497105984.db2.gz ZBLHKSFWCXEGES-UHFFFAOYSA-N -1 3 350.253 3.447 20 0 FGADHM CCc1ccc(C(=O)Nc2ccc(NC(=O)[C@H]3CCCO3)cc2)c([O-])c1 ZINC000189425510 497114505 /nfs/dbraw/zinc/11/45/05/497114505.db2.gz GYIJHCMXROBODM-GOSISDBHSA-N -1 3 354.406 3.324 20 0 FGADHM Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)CNC(=O)c2cccc([O-])c2)o1 ZINC000274543746 497122362 /nfs/dbraw/zinc/12/23/62/497122362.db2.gz VAHVBLLBCPVQJK-GUYCJALGSA-N -1 3 356.422 3.023 20 0 FGADHM C[C@H]1CN(Cc2ccccc2)CCN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000265492453 497128453 /nfs/dbraw/zinc/12/84/53/497128453.db2.gz CSORQANUSNBBKT-INIZCTEOSA-N -1 3 361.445 3.287 20 0 FGADHM O=C(c1cc([O-])ccc1C(F)(F)F)N1CCC(OC[C@H]2CCCO2)CC1 ZINC000189487919 497135440 /nfs/dbraw/zinc/13/54/40/497135440.db2.gz MLOZMNLRWWEPGL-CQSZACIVSA-N -1 3 373.371 3.211 20 0 FGADHM CCc1ccc(C(=O)N2CCC(CCC(=O)N(CC)CC)CC2)c([O-])c1 ZINC000189494781 497137511 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CCOC1CC(CCNC(=O)NCc2ccc([O-])c(Br)c2)C1 ZINC000191171079 497732208 /nfs/dbraw/zinc/73/22/08/497732208.db2.gz WHMMERFWKMHITR-UHFFFAOYSA-N -1 3 371.275 3.159 20 0 FGADHM CC(C)(C)c1ccc(CN[C@@H](Cn2ccc(C(F)(F)F)n2)C(=O)[O-])cc1 ZINC000277111710 497745554 /nfs/dbraw/zinc/74/55/54/497745554.db2.gz ALKLCSBMTVHHBS-AWEZNQCLSA-N -1 3 369.387 3.442 20 0 FGADHM Cc1ccc2c(ncc(C(=O)[O-])c2N(C)CCN(C)CC(F)F)c1C ZINC000575127734 505927117 /nfs/dbraw/zinc/92/71/17/505927117.db2.gz POCAYPDSWQFOLB-UHFFFAOYSA-N -1 3 351.397 3.183 20 0 FGADHM Cc1cc([N-]C(=O)[C@H](C)N[C@H](C)c2nc(-c3ccc(F)c(C)c3)no2)on1 ZINC000268455305 497754651 /nfs/dbraw/zinc/75/46/51/497754651.db2.gz GRXFLXHLNZJMAG-NWDGAFQWSA-N -1 3 373.388 3.158 20 0 FGADHM CC[C@@H]1C[C@H](CC(=O)NCc2ccc([O-])c(Br)c2)CCO1 ZINC000272897716 497756024 /nfs/dbraw/zinc/75/60/24/497756024.db2.gz XPFJBSHQVIWROY-DGCLKSJQSA-N -1 3 356.260 3.366 20 0 FGADHM O=C(c1cc(=O)c2ccccc2[n-]1)N(CCN1CCCC1)c1ccccc1 ZINC000569412863 505928113 /nfs/dbraw/zinc/92/81/13/505928113.db2.gz NOGQVHGMVIHOSG-UHFFFAOYSA-N -1 3 361.445 3.271 20 0 FGADHM C[C@H](NC(=O)[C@H](C)N1C[C@H](C)C[C@H](C(=O)[O-])C1)c1ccc2ccccc2c1 ZINC000263389002 497773535 /nfs/dbraw/zinc/77/35/35/497773535.db2.gz YJYMPZLJEIVKRC-OLPIVMHESA-N -1 3 368.477 3.448 20 0 FGADHM O=C(NCc1ccc(C2CC2)cc1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000191305198 497775824 /nfs/dbraw/zinc/77/58/24/497775824.db2.gz GHRFDHQAQQLSQA-IBGZPJMESA-N -1 3 364.445 3.191 20 0 FGADHM O=C([O-])[C@@H]1CCCN(CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000263402645 497777137 /nfs/dbraw/zinc/77/71/37/497777137.db2.gz IPGNQMKTJACQJQ-GFCCVEGCSA-N -1 3 352.228 3.022 20 0 FGADHM O=C(NCCc1csc2ccccc12)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000194810207 497778432 /nfs/dbraw/zinc/77/84/32/497778432.db2.gz QEHRVGDSVGOAIE-UHFFFAOYSA-N -1 3 365.414 3.149 20 0 FGADHM CCC[C@@H]([N-]S(=O)(=O)Cc1noc2ccccc21)[C@H](O)c1ccccc1 ZINC000280522598 497780229 /nfs/dbraw/zinc/78/02/29/497780229.db2.gz QWDGKZAOIWMPQS-VQIMIIECSA-N -1 3 374.462 3.150 20 0 FGADHM C[C@@H](CN(C)Cc1cccc(Br)c1OC(F)F)C(=O)[O-] ZINC000263460543 497785743 /nfs/dbraw/zinc/78/57/43/497785743.db2.gz BPRIOCLQPJYRPT-QMMMGPOBSA-N -1 3 352.175 3.203 20 0 FGADHM COc1ccccc1C[C@@H](CNCc1csc(C(C)(C)C)n1)C(=O)[O-] ZINC000277289167 497795709 /nfs/dbraw/zinc/79/57/09/497795709.db2.gz MKFFQGGIOJBAIL-AWEZNQCLSA-N -1 3 362.495 3.482 20 0 FGADHM C[C@H](CN1CCOCC1)N(Cc1ccccc1)Cc1ccc(C(=O)[O-])cc1 ZINC000263572145 497801591 /nfs/dbraw/zinc/80/15/91/497801591.db2.gz KNBBOOJYRDMUGF-GOSISDBHSA-N -1 3 368.477 3.108 20 0 FGADHM Cc1cc(C(=O)N(C)[C@@H](C)Cc2ccccc2C(F)(F)F)[n-]c(=O)n1 ZINC000288548123 497827881 /nfs/dbraw/zinc/82/78/81/497827881.db2.gz DSTOWCFSNIAVLB-NSHDSACASA-N -1 3 353.344 3.213 20 0 FGADHM CC(=O)NCCCCCC(=O)Nc1c(C)c(Br)ccc1[O-] ZINC000295863258 497833991 /nfs/dbraw/zinc/83/39/91/497833991.db2.gz CINIFYBHFXGAGS-UHFFFAOYSA-N -1 3 357.248 3.098 20 0 FGADHM O=C([O-])c1ccccc1OCCN1CCCC[C@@H]1[C@H](O)c1ccccc1 ZINC000364238024 497854782 /nfs/dbraw/zinc/85/47/82/497854782.db2.gz CPUOATSKEDZZKJ-UYAOXDASSA-N -1 3 355.434 3.352 20 0 FGADHM Cc1ccnc(Cl)c1[N-]S(=O)(=O)c1ccc2c(c1)CCCC2=O ZINC000295970374 497873208 /nfs/dbraw/zinc/87/32/08/497873208.db2.gz NLAOUQDTGFVYMF-UHFFFAOYSA-N -1 3 350.827 3.363 20 0 FGADHM C[C@@]1(c2ccc(-c3noc([C@@H]4CCCOCC4)n3)cc2)NC(=O)[N-]C1=O ZINC000329727276 497880981 /nfs/dbraw/zinc/88/09/81/497880981.db2.gz FDHDAHZVDNLCNR-XIKOKIGWSA-N -1 3 356.382 3.120 20 0 FGADHM Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)[N-]OC/C=C/Cl)C2)c1 ZINC000292185129 497914110 /nfs/dbraw/zinc/91/41/10/497914110.db2.gz NHFPLVMFUTYIKM-YOIVXCQUSA-N -1 3 351.834 3.039 20 0 FGADHM CC(C)(C)OC(=O)Nc1cccc(C(=O)[N-]c2nnc(C(F)F)s2)n1 ZINC000280866502 497928567 /nfs/dbraw/zinc/92/85/67/497928567.db2.gz ZPTRHJKJIZSEFN-UHFFFAOYSA-N -1 3 371.369 3.470 20 0 FGADHM O=C([N-]c1ccccc1S(=O)(=O)C1CCCC1)c1ncc(F)cc1F ZINC000292228195 497930134 /nfs/dbraw/zinc/93/01/34/497930134.db2.gz ITCAUIIYZUCEHQ-UHFFFAOYSA-N -1 3 366.389 3.328 20 0 FGADHM Cc1c(C(=O)[N-]c2nc(Sc3ccccc3)ns2)nn2c1OCCC2 ZINC000578483361 505950191 /nfs/dbraw/zinc/95/01/91/505950191.db2.gz FFNSZUQOHZACBN-UHFFFAOYSA-N -1 3 373.463 3.229 20 0 FGADHM Cc1nc(C)c(CCC(=O)N[C@H]2CC[C@@H](c3cccc(F)c3)C2)c(=O)[n-]1 ZINC000280958447 497965034 /nfs/dbraw/zinc/96/50/34/497965034.db2.gz URSYMTVDIVCSAZ-WBVHZDCISA-N -1 3 357.429 3.323 20 0 FGADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@@H](C)NC(=O)C1CCCC1 ZINC000296273088 497980231 /nfs/dbraw/zinc/98/02/31/497980231.db2.gz YOGLOIKARIRKSL-SNVBAGLBSA-N -1 3 369.259 3.097 20 0 FGADHM O=C(c1c[n-]c2ccccc2c1=O)N1CCC[C@H]1CN1CCc2ccccc21 ZINC000364484388 497981303 /nfs/dbraw/zinc/98/13/03/497981303.db2.gz NTQXAPCAJUOGAL-KRWDZBQOSA-N -1 3 373.456 3.195 20 0 FGADHM Cc1nc(C)c(Cc2nc(-c3cc(OC(F)F)ccc3F)no2)c(=O)[n-]1 ZINC000349651454 497999061 /nfs/dbraw/zinc/99/90/61/497999061.db2.gz GVHRNXBXDSEMPR-UHFFFAOYSA-N -1 3 366.299 3.180 20 0 FGADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1cccc(-c2nc(C)c(C)o2)c1 ZINC000296334347 498003094 /nfs/dbraw/zinc/00/30/94/498003094.db2.gz FFPFDSATUUNOQM-UHFFFAOYSA-N -1 3 361.398 3.353 20 0 FGADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1cccc(-c2nc(C)c(C)o2)c1 ZINC000296334347 498003096 /nfs/dbraw/zinc/00/30/96/498003096.db2.gz FFPFDSATUUNOQM-UHFFFAOYSA-N -1 3 361.398 3.353 20 0 FGADHM CCOc1cc(-c2noc([C@H](C)CNC(=O)OC(C)(C)C)n2)ccc1[O-] ZINC000289073929 498003347 /nfs/dbraw/zinc/00/33/47/498003347.db2.gz IOHBMTRXJIDLDU-LLVKDONJSA-N -1 3 363.414 3.469 20 0 FGADHM CC(C)(CO)ON=C([O-])Nc1ccc(N2CCc3sccc3C2)cc1 ZINC000296472540 498056851 /nfs/dbraw/zinc/05/68/51/498056851.db2.gz OQGLVRRGAWQRDL-UHFFFAOYSA-N -1 3 361.467 3.135 20 0 FGADHM CC(C)(CO)O[N-]C(=O)Nc1ccc(N2CCc3sccc3C2)cc1 ZINC000296472540 498056856 /nfs/dbraw/zinc/05/68/56/498056856.db2.gz OQGLVRRGAWQRDL-UHFFFAOYSA-N -1 3 361.467 3.135 20 0 FGADHM CCOc1cc(-c2noc(-c3ccnc(NC(=O)C4CC4)c3)n2)ccc1[O-] ZINC000289213749 498063383 /nfs/dbraw/zinc/06/33/83/498063383.db2.gz SCRKKWVLCVUAIY-UHFFFAOYSA-N -1 3 366.377 3.251 20 0 FGADHM O=C(c1ccc(C(=O)N2CCCO[C@@H]3CCC[C@@H]32)cc1)c1cccc([O-])c1 ZINC000364652366 498069604 /nfs/dbraw/zinc/06/96/04/498069604.db2.gz HCMAOFCTYPLGPJ-VQTJNVASSA-N -1 3 365.429 3.407 20 0 FGADHM Cc1nc(C2([N-]S(=O)(=O)c3cnc4ccccc4c3)CCCCC2)no1 ZINC000330305145 498098827 /nfs/dbraw/zinc/09/88/27/498098827.db2.gz KSKYKYWKCPXVEQ-UHFFFAOYSA-N -1 3 372.450 3.064 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@@H](C)CC3(C)OCCO3)nc2)n1 ZINC000301413131 498099508 /nfs/dbraw/zinc/09/95/08/498099508.db2.gz CPHGUPMXXSAIMA-ZDUSSCGKSA-N -1 3 358.442 3.008 20 0 FGADHM CCO[C@H]1C[C@@H](N(C)C(=O)c2cc(F)cc3[n-]nnc32)C12CCCCC2 ZINC000330316350 498102675 /nfs/dbraw/zinc/10/26/75/498102675.db2.gz ZHRAAQJVKJBZLW-CVEARBPZSA-N -1 3 360.433 3.297 20 0 FGADHM CCO[C@H]1C[C@@H](N(C)C(=O)c2cc(F)cc3nn[n-]c32)C12CCCCC2 ZINC000330316350 498102677 /nfs/dbraw/zinc/10/26/77/498102677.db2.gz ZHRAAQJVKJBZLW-CVEARBPZSA-N -1 3 360.433 3.297 20 0 FGADHM CCO[C@H]1C[C@@H](N(C)C(=O)c2cc(F)cc3n[n-]nc32)C12CCCCC2 ZINC000330316350 498102680 /nfs/dbraw/zinc/10/26/80/498102680.db2.gz ZHRAAQJVKJBZLW-CVEARBPZSA-N -1 3 360.433 3.297 20 0 FGADHM Cc1ccc2c(ncc(C(=O)[O-])c2N2CC[C@@H]([C@@H](O)C(F)(F)F)C2)c1C ZINC000572486694 505981280 /nfs/dbraw/zinc/98/12/80/505981280.db2.gz FYXQFACZEFMONN-BDJLRTHQSA-N -1 3 368.355 3.299 20 0 FGADHM COc1cc(-c2noc(-c3cc(C)nc4c3c(C)nn4C)n2)ccc1[O-] ZINC000350584359 498120813 /nfs/dbraw/zinc/12/08/13/498120813.db2.gz SBLBZNHXCIVTGQ-UHFFFAOYSA-N -1 3 351.366 3.016 20 0 FGADHM CCN(CC)Cc1nc(-c2cc(Br)c([O-])c(OC)c2)no1 ZINC000350614626 498127382 /nfs/dbraw/zinc/12/73/82/498127382.db2.gz VSBSPNNWZYANQT-UHFFFAOYSA-N -1 3 356.220 3.055 20 0 FGADHM C[C@H](NC(=O)N=c1cc(OC(F)F)n(C)[n-]1)c1ccc(C2CC2)cc1 ZINC000578622697 505983495 /nfs/dbraw/zinc/98/34/95/505983495.db2.gz AVWVVLFXHBWOCW-JTQLQIEISA-N -1 3 350.369 3.204 20 0 FGADHM CCN(CC)C(=O)C1CCN(C(=O)c2cc([O-])ccc2C(F)(F)F)CC1 ZINC000330454516 498135109 /nfs/dbraw/zinc/13/51/09/498135109.db2.gz WESACJDBZUEWKM-UHFFFAOYSA-N -1 3 372.387 3.132 20 0 FGADHM Cn1ccnc1CN1CCC(c2nc(-c3ccc([O-])cc3Cl)no2)CC1 ZINC000350817134 498139776 /nfs/dbraw/zinc/13/97/76/498139776.db2.gz RILLJSGARFXRBU-UHFFFAOYSA-N -1 3 373.844 3.209 20 0 FGADHM O=C([O-])c1sc2cccc(F)c2c1CN1CCS[C@@H]2COCC[C@@H]21 ZINC000581434580 505987844 /nfs/dbraw/zinc/98/78/44/505987844.db2.gz FJUPSCNBHSJUSD-GXTWGEPZSA-N -1 3 367.467 3.445 20 0 FGADHM O=C([N-]C[C@H]1CCCN(Cc2ccccc2OC(F)F)C1)C(F)(F)F ZINC000289462329 498156065 /nfs/dbraw/zinc/15/60/65/498156065.db2.gz MFOFCLINWUJMGU-LLVKDONJSA-N -1 3 366.330 3.179 20 0 FGADHM CC(C)[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)CCO1 ZINC000330620785 498162155 /nfs/dbraw/zinc/16/21/55/498162155.db2.gz ANQRQLLWTDCNQP-QMTHXVAHSA-N -1 3 352.283 3.475 20 0 FGADHM CCCCCC[C@](C)(CCC)C(=O)N1CCO[C@H](CN(C)CC(=O)[O-])C1 ZINC000364831242 498163734 /nfs/dbraw/zinc/16/37/34/498163734.db2.gz SPVSACSFVNBSJL-XLIONFOSSA-N -1 3 370.534 3.007 20 0 FGADHM [O-]C(=NOCC1CC1)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000296752263 498182009 /nfs/dbraw/zinc/18/20/09/498182009.db2.gz DRHAKFKKHLOCSK-UHFFFAOYSA-N -1 3 351.204 3.098 20 0 FGADHM O=C([N-]OCC1CC1)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000296752263 498182012 /nfs/dbraw/zinc/18/20/12/498182012.db2.gz DRHAKFKKHLOCSK-UHFFFAOYSA-N -1 3 351.204 3.098 20 0 FGADHM Cc1cc(Cl)ccc1O[C@@H](C)C(=O)[N-]c1nncn1-c1cccnc1 ZINC000572554865 505996089 /nfs/dbraw/zinc/99/60/89/505996089.db2.gz IJXWHXZDOKDJNO-LBPRGKRZSA-N -1 3 357.801 3.030 20 0 FGADHM CC(C)(C)c1ccc(S(=O)(=O)[N-]C2(C(F)(F)F)CCOCC2)cc1 ZINC000330842683 498203169 /nfs/dbraw/zinc/20/31/69/498203169.db2.gz AXMUSILWDSUMTD-UHFFFAOYSA-N -1 3 365.417 3.374 20 0 FGADHM CCCOc1cc(OC)ccc1C(=O)N=c1[nH][n-]c(-c2ccncc2)c1C ZINC000364971059 498233459 /nfs/dbraw/zinc/23/34/59/498233459.db2.gz LHMHQHODXKRMJN-UHFFFAOYSA-N -1 3 366.421 3.252 20 0 FGADHM CCc1cccc(C(=O)N2CC[C@]3(C2)CC(=O)c2ccccc2O3)c1[O-] ZINC000572581300 506002832 /nfs/dbraw/zinc/00/28/32/506002832.db2.gz GWRUPQKUBUFUCM-OAQYLSRUSA-N -1 3 351.402 3.205 20 0 FGADHM Cc1ccc(NC(=O)[N-]OCC2CC2)cc1S(=O)(=O)C1CCCC1 ZINC000296944268 498260351 /nfs/dbraw/zinc/26/03/51/498260351.db2.gz YXJAOGGKZQBOCG-UHFFFAOYSA-N -1 3 352.456 3.174 20 0 FGADHM CCCc1ccc(C(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)cc1 ZINC000281783940 498268193 /nfs/dbraw/zinc/26/81/93/498268193.db2.gz RUXVCNWXALFPAW-UHFFFAOYSA-N -1 3 356.388 3.170 20 0 FGADHM C[C@]1(CO)CCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000331198802 498272875 /nfs/dbraw/zinc/27/28/75/498272875.db2.gz VNOYKQXEMIGIIM-QWHCGFSZSA-N -1 3 371.808 3.188 20 0 FGADHM CCc1ccc([C@H]2CCN(C(=O)CCc3c(C)nc(C)[n-]c3=O)C2)cc1 ZINC000293143652 498283751 /nfs/dbraw/zinc/28/37/51/498283751.db2.gz AOTNVGQBIPTJNU-SFHVURJKSA-N -1 3 353.466 3.310 20 0 FGADHM Cc1ccc2c(ncc(C(=O)[O-])c2N2C[C@H](C)O[C@]3(CCCOC3)C2)c1C ZINC000572606236 506009862 /nfs/dbraw/zinc/00/98/62/506009862.db2.gz KIDYQDJBHJRLEN-LHSJRXKWSA-N -1 3 370.449 3.324 20 0 FGADHM CS[C@H](C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)c1ccccc1 ZINC000281847915 498290041 /nfs/dbraw/zinc/29/00/41/498290041.db2.gz XUMPIEFBTMJAMQ-AWEZNQCLSA-N -1 3 374.428 3.008 20 0 FGADHM CCc1nc(C(C)(C)[N-]S(=O)(=O)c2ccc(C(C)(C)C)s2)no1 ZINC000331283286 498292074 /nfs/dbraw/zinc/29/20/74/498292074.db2.gz RTCBESMFKVCSSJ-UHFFFAOYSA-N -1 3 357.501 3.205 20 0 FGADHM COc1ccc(CN2CCC[C@H]2c2nc(C)no2)c(Br)c1[O-] ZINC000289795129 498297518 /nfs/dbraw/zinc/29/75/18/498297518.db2.gz MGCANZKAHKTSQD-NSHDSACASA-N -1 3 368.231 3.192 20 0 FGADHM CCCCOc1ccc(C(=O)N2CCC[C@@H]2Cn2nc(C)nc2C)c([O-])c1 ZINC000365123678 498307825 /nfs/dbraw/zinc/30/78/25/498307825.db2.gz HQVPSKUAGAVGPD-MRXNPFEDSA-N -1 3 372.469 3.084 20 0 FGADHM CC[C@H](c1ccccc1OC)N(C)C(=O)c1c[n-]c2ccncc2c1=O ZINC000569789590 506017695 /nfs/dbraw/zinc/01/76/95/506017695.db2.gz XUHLLHWBMMBYMW-QGZVFWFLSA-N -1 3 351.406 3.155 20 0 FGADHM Cc1cccc([C@@H]2CCCN2C(=O)NCc2nnc(C(F)(F)F)[n-]2)c1C ZINC000331492510 498348363 /nfs/dbraw/zinc/34/83/63/498348363.db2.gz JDZZKEDNXYDVJK-ZDUSSCGKSA-N -1 3 367.375 3.487 20 0 FGADHM Cc1cccc([C@@H]2CCCN2C(=O)NCc2n[n-]c(C(F)(F)F)n2)c1C ZINC000331492510 498348368 /nfs/dbraw/zinc/34/83/68/498348368.db2.gz JDZZKEDNXYDVJK-ZDUSSCGKSA-N -1 3 367.375 3.487 20 0 FGADHM Cc1cccc([C@@H]2CCCN2C(=O)NCc2nc(C(F)(F)F)n[n-]2)c1C ZINC000331492510 498348374 /nfs/dbraw/zinc/34/83/74/498348374.db2.gz JDZZKEDNXYDVJK-ZDUSSCGKSA-N -1 3 367.375 3.487 20 0 FGADHM Cc1c(Cl)ccc2ccc(N3CCC[C@H]3C[C@]3(C)NC(=O)[N-]C3=O)nc21 ZINC000286279571 498349012 /nfs/dbraw/zinc/34/90/12/498349012.db2.gz GURBWLLTUFVBSH-DJJJIMSYSA-N -1 3 372.856 3.154 20 0 FGADHM Cc1ccc(C(=O)N(C)C)cc1[N-]S(=O)(=O)c1c(C)cc(F)cc1C ZINC000282026900 498362638 /nfs/dbraw/zinc/36/26/38/498362638.db2.gz RBIYULOEVUEGIU-UHFFFAOYSA-N -1 3 364.442 3.254 20 0 FGADHM O=C([N-]c1ccc(Cl)cc1)c1nc([C@H]2COc3ccccc3O2)no1 ZINC000581587213 506021830 /nfs/dbraw/zinc/02/18/30/506021830.db2.gz AXAQZHVOJISISV-CQSZACIVSA-N -1 3 357.753 3.488 20 0 FGADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1ccc(OCC(F)(F)F)c(F)c1 ZINC000282052446 498372205 /nfs/dbraw/zinc/37/22/05/498372205.db2.gz LSZURBXWVDPXTB-GFCCVEGCSA-N -1 3 352.284 3.347 20 0 FGADHM O=C([N-]O[C@@H]1CCCCO1)Nc1ccc(OCC(F)(F)F)c(F)c1 ZINC000282052446 498372208 /nfs/dbraw/zinc/37/22/08/498372208.db2.gz LSZURBXWVDPXTB-GFCCVEGCSA-N -1 3 352.284 3.347 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@H]3COC4(CCCCC4)O3)nc2)n1 ZINC000302031163 498376404 /nfs/dbraw/zinc/37/64/04/498376404.db2.gz SDSQBJRCZSYABY-INIZCTEOSA-N -1 3 370.453 3.294 20 0 FGADHM CC1CCC2(CCN(C(=O)c3ccc(F)c([N-]S(C)(=O)=O)c3)C2)CC1 ZINC000365299673 498393436 /nfs/dbraw/zinc/39/34/36/498393436.db2.gz VWCUGTFLOFXQBM-UHFFFAOYSA-N -1 3 368.474 3.240 20 0 FGADHM CCOc1cc(CN[C@@H]2CS(=O)(=O)c3ccccc32)cc(Cl)c1[O-] ZINC000297312826 498401504 /nfs/dbraw/zinc/40/15/04/498401504.db2.gz BUQCZWRSOJAVSE-CQSZACIVSA-N -1 3 367.854 3.063 20 0 FGADHM CC[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2 ZINC000578828121 506029753 /nfs/dbraw/zinc/02/97/53/506029753.db2.gz MHCBPIHKOHJJPF-GXFFZTMASA-N -1 3 356.875 3.082 20 0 FGADHM O=S(=O)([N-][C@@H]1CCCC12CCOCC2)c1ccccc1C(F)(F)F ZINC000282226512 498430980 /nfs/dbraw/zinc/43/09/80/498430980.db2.gz HNXBDPLVIGKFBZ-CQSZACIVSA-N -1 3 363.401 3.333 20 0 FGADHM COc1ccc(S(=O)(=O)[N-][C@@H]2CSC2(C)C)c(Cl)c1Cl ZINC000569869963 506035333 /nfs/dbraw/zinc/03/53/33/506035333.db2.gz JFQRISGUBUEEGU-SECBINFHSA-N -1 3 356.296 3.174 20 0 FGADHM CO[C@H](c1nc(Cc2nc(=O)c3c(C4CC4)csc3[n-]2)no1)C1CC1 ZINC000290179327 498453610 /nfs/dbraw/zinc/45/36/10/498453610.db2.gz SCAGAIUJNMQACH-AWEZNQCLSA-N -1 3 358.423 3.346 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@H]2CCC[C@@H](F)C2)c1-c1ccc2c(c1)OCCO2 ZINC000578883576 506044571 /nfs/dbraw/zinc/04/45/71/506044571.db2.gz SIMQUXQMFSRFON-UONOGXRCSA-N -1 3 359.401 3.045 20 0 FGADHM Cc1nn(C)c(C)c1[C@H]1COCCN1C(=O)c1ccc(C(C)C)cc1[O-] ZINC000331939330 498507552 /nfs/dbraw/zinc/50/75/52/498507552.db2.gz QZDYEOFGVDPAIM-QGZVFWFLSA-N -1 3 357.454 3.080 20 0 FGADHM COc1ccc(CN2CC[C@@H](O)C23CCCC3)c(Br)c1[O-] ZINC000293880603 498520046 /nfs/dbraw/zinc/52/00/46/498520046.db2.gz JRXGIOLTHJVEDO-CYBMUJFWSA-N -1 3 356.260 3.043 20 0 FGADHM CC(C)[C@@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1cc([O-])c2ccccc2c1 ZINC000331996588 498527465 /nfs/dbraw/zinc/52/74/65/498527465.db2.gz PGAGRKUFUQBENE-DYVFJYSZSA-N -1 3 372.490 3.221 20 0 FGADHM O=S(=O)([N-][C@H]1CCCC[C@@H]1n1cccn1)c1cc(F)cc(Cl)c1 ZINC000332001503 498528985 /nfs/dbraw/zinc/52/89/85/498528985.db2.gz DPFBTKBKLJWPGH-GJZGRUSLSA-N -1 3 357.838 3.138 20 0 FGADHM CC(C)N1CC[C@@H](NC(=O)c2csc(=O)[n-]2)[C@@H]1c1ccc(F)c(F)c1 ZINC000365558593 498532134 /nfs/dbraw/zinc/53/21/34/498532134.db2.gz DXWOFUZXPZEAPM-HIFRSBDPSA-N -1 3 367.421 3.081 20 0 FGADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)NC(C1CCC1)C1CCC1 ZINC000572789346 506052095 /nfs/dbraw/zinc/05/20/95/506052095.db2.gz FJKFHCROAOUQAA-UHFFFAOYSA-N -1 3 354.454 3.250 20 0 FGADHM C[C@H](CC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1)c1ccc(F)cc1 ZINC000290428392 498549625 /nfs/dbraw/zinc/54/96/25/498549625.db2.gz SEENIQOYSSGNAI-CHWSQXEVSA-N -1 3 374.378 3.236 20 0 FGADHM CC[C@@H](C)CO[N-]C(=O)Nc1cccc(CS(=O)(=O)N[C@@H](C)CC)c1 ZINC000297731361 498551746 /nfs/dbraw/zinc/55/17/46/498551746.db2.gz KJCIWOXWWAQWLN-KGLIPLIRSA-N -1 3 371.503 3.004 20 0 FGADHM CN(Cc1cn(C)nc1C(F)(F)F)C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000332126729 498571662 /nfs/dbraw/zinc/57/16/62/498571662.db2.gz MQPMZOVDSUFWAX-UHFFFAOYSA-N -1 3 367.371 3.296 20 0 FGADHM O=C(NCc1ccco1)[C@@H]1CCCN1Cc1cc([O-])cc(C(F)(F)F)c1 ZINC000578943487 506056232 /nfs/dbraw/zinc/05/62/32/506056232.db2.gz HPVIASFSXZFRPR-INIZCTEOSA-N -1 3 368.355 3.285 20 0 FGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)NC[C@@H]1CCCC1(C)C ZINC000294054341 498575230 /nfs/dbraw/zinc/57/52/30/498575230.db2.gz GAKXSFUZKRUMDH-INIZCTEOSA-N -1 3 368.481 3.428 20 0 FGADHM C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2cc([O-])ccc2Cl)C1 ZINC000290558571 498596392 /nfs/dbraw/zinc/59/63/92/498596392.db2.gz WXPHOTUXDNSLQP-NEPJUHHUSA-N -1 3 368.861 3.421 20 0 FGADHM O=C(Nc1cccc(CNCc2c(F)ccc([O-])c2F)c1)[C@H]1CCCO1 ZINC000294135660 498599489 /nfs/dbraw/zinc/59/94/89/498599489.db2.gz HDCLWYWONIESPY-QGZVFWFLSA-N -1 3 362.376 3.078 20 0 FGADHM Cc1c(C(=O)[N-]c2nnc(-c3cc(F)ccc3C)s2)nnn1C(C)C ZINC000294185624 498613950 /nfs/dbraw/zinc/61/39/50/498613950.db2.gz JWGJIFHPUJZWTK-UHFFFAOYSA-N -1 3 360.418 3.386 20 0 FGADHM O=C(CCc1ccc2ccccc2c1[O-])NC1CCC2(CC1)OCCO2 ZINC000294274308 498641889 /nfs/dbraw/zinc/64/18/89/498641889.db2.gz BDKNBLISVMNWGK-UHFFFAOYSA-N -1 3 355.434 3.280 20 0 FGADHM Cc1cccc(C(=O)N2CCC[C@H](c3nc(C(F)(F)F)cn3C)C2)c1[O-] ZINC000332315816 498646589 /nfs/dbraw/zinc/64/65/89/498646589.db2.gz MTISSOJHXYIQAW-LBPRGKRZSA-N -1 3 367.371 3.473 20 0 FGADHM C[C@H]1CN(C(=O)c2ccc([N-]S(C)(=O)=O)cc2)CC[C@@H]1c1ccccc1 ZINC000332355022 498660454 /nfs/dbraw/zinc/66/04/54/498660454.db2.gz HZOYJBMRBUKHMT-KXBFYZLASA-N -1 3 372.490 3.324 20 0 FGADHM O=C([N-]c1nnc(C2CCOCC2)s1)c1cnnc(-c2ccccc2)c1 ZINC000294532052 498722134 /nfs/dbraw/zinc/72/21/34/498722134.db2.gz ZJYTWDATMWIDCL-UHFFFAOYSA-N -1 3 367.434 3.141 20 0 FGADHM Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)C[C@@H](c1ccccc1)N(C)C ZINC000570056096 506080389 /nfs/dbraw/zinc/08/03/89/506080389.db2.gz NYKIBSIUMKULFV-KRWDZBQOSA-N -1 3 365.437 3.117 20 0 FGADHM C[C@H]1CCCc2nc(S(=O)(=O)[N-]Cc3nc(C(C)(C)C)cs3)cn21 ZINC000581873252 506080460 /nfs/dbraw/zinc/08/04/60/506080460.db2.gz BVAKHKIRRWKAJK-NSHDSACASA-N -1 3 368.528 3.013 20 0 FGADHM Cc1nc(C)c(CCC(=O)N(CCc2ccccc2)CC(C)C)c(=O)[n-]1 ZINC000298403853 498760071 /nfs/dbraw/zinc/76/00/71/498760071.db2.gz WMYVAEKLRBYHMS-UHFFFAOYSA-N -1 3 355.482 3.459 20 0 FGADHM O=C([N-]c1nc(-c2ccccn2)cs1)c1cc(CN2CCCC2)on1 ZINC000291023221 498761200 /nfs/dbraw/zinc/76/12/00/498761200.db2.gz WJKFJPJFOGDEOX-UHFFFAOYSA-N -1 3 355.423 3.041 20 0 FGADHM CCc1cc(C(=O)N2CCC(O)(Cc3ccccc3F)CC2)ccc1[O-] ZINC000366074407 498764276 /nfs/dbraw/zinc/76/42/76/498764276.db2.gz CNGNDBOGWWHGTR-UHFFFAOYSA-N -1 3 357.425 3.304 20 0 FGADHM Cc1cccc(S(=O)(=O)[N-][C@H]2CC(C)(C)Oc3ccc(N)cc32)c1F ZINC000313217547 498766023 /nfs/dbraw/zinc/76/60/23/498766023.db2.gz MMPZYBTYQLKPTQ-AWEZNQCLSA-N -1 3 364.442 3.297 20 0 FGADHM Cn1ccnc1[C@H]([N-]S(=O)(=O)c1cc2ccccc2o1)c1ccccc1 ZINC000579074857 506087622 /nfs/dbraw/zinc/08/76/22/506087622.db2.gz OZVFXCIRKOKBFV-GOSISDBHSA-N -1 3 367.430 3.234 20 0 FGADHM CC(C)(C)c1ccc(S(=O)(=O)[N-]Cc2nccc(C(F)F)n2)s1 ZINC000287484316 498773215 /nfs/dbraw/zinc/77/32/15/498773215.db2.gz QOJLIOKEGMSMGL-UHFFFAOYSA-N -1 3 361.439 3.252 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)N1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000287498760 498777710 /nfs/dbraw/zinc/77/77/10/498777710.db2.gz QMOHSYHRDOLZMO-ZHALLVOQSA-N -1 3 370.424 3.245 20 0 FGADHM O=C(c1ccc2n[n-]nc2c1)N1CCC(c2noc3cc(F)ccc32)CC1 ZINC000291063805 498778520 /nfs/dbraw/zinc/77/85/20/498778520.db2.gz YDVGYGPAJSPNNJ-UHFFFAOYSA-N -1 3 365.368 3.258 20 0 FGADHM Cc1c(-c2ccncc2)[n-][nH]c1=NC(=O)c1csc(-c2ccoc2)n1 ZINC000363365509 498782227 /nfs/dbraw/zinc/78/22/27/498782227.db2.gz MRQURBRVPWFLHP-UHFFFAOYSA-N -1 3 351.391 3.171 20 0 FGADHM Cc1ccc2[n-]cc(C(=O)N[C@@H]3CCOC4(CCSCC4)C3)c(=O)c2c1 ZINC000332804043 498797219 /nfs/dbraw/zinc/79/72/19/498797219.db2.gz CXCGUASRVXPMMJ-CQSZACIVSA-N -1 3 372.490 3.011 20 0 FGADHM Cc1noc([C@@H](C)N(C)C(=O)c2cc(OCc3ccccc3)ccc2[O-])n1 ZINC000576171616 506093366 /nfs/dbraw/zinc/09/33/66/506093366.db2.gz RQRBWCNZSDERMP-CYBMUJFWSA-N -1 3 367.405 3.496 20 0 FGADHM [O-]c1ccc(F)c(CN2CCC[C@@H](c3nnc4n3CCCCC4)C2)c1F ZINC000294804915 498811274 /nfs/dbraw/zinc/81/12/74/498811274.db2.gz DPPMOMHVFMSINS-CYBMUJFWSA-N -1 3 362.424 3.368 20 0 FGADHM CC(C)(CCCO)C[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000323290280 498819718 /nfs/dbraw/zinc/81/97/18/498819718.db2.gz LOUAMOJABUXDCC-UHFFFAOYSA-N -1 3 373.824 3.436 20 0 FGADHM O=S(=O)([N-][C@H]1CCC[C@@H](CO)C1)c1ccc(Cl)cc1C(F)(F)F ZINC000323769265 498823394 /nfs/dbraw/zinc/82/33/94/498823394.db2.gz YTNFYNBOAWFHHO-KOLCDFICSA-N -1 3 371.808 3.188 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)c2cnc(C)c(Cl)c2Cl)c1-c1ccncc1 ZINC000366226997 498831558 /nfs/dbraw/zinc/83/15/58/498831558.db2.gz YCJLUQVHFGKQSD-UHFFFAOYSA-N -1 3 362.220 3.465 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)c1-c1ccncc1 ZINC000366238638 498835236 /nfs/dbraw/zinc/83/52/36/498835236.db2.gz AFXFIYOYLAQUAH-QWHCGFSZSA-N -1 3 372.350 3.362 20 0 FGADHM COCc1nc(CN=c2ncc3scc(Br)c3[n-]2)cs1 ZINC000581953947 506099588 /nfs/dbraw/zinc/09/95/88/506099588.db2.gz DBMCQKARCVEQRU-UHFFFAOYSA-N -1 3 371.285 3.091 20 0 FGADHM CC(C)C(=O)c1ccc([C@@H](C)C(=O)Nc2nnc(-c3ccccn3)[n-]2)cc1 ZINC000283394626 498873199 /nfs/dbraw/zinc/87/31/99/498873199.db2.gz GROZTASZLJAQOO-CYBMUJFWSA-N -1 3 363.421 3.448 20 0 FGADHM CC(C)C(=O)c1ccc([C@@H](C)C(=O)Nc2nc(-c3ccccn3)n[n-]2)cc1 ZINC000283394626 498873206 /nfs/dbraw/zinc/87/32/06/498873206.db2.gz GROZTASZLJAQOO-CYBMUJFWSA-N -1 3 363.421 3.448 20 0 FGADHM CC(C)C(=O)c1ccc([C@@H](C)C(=O)Nc2n[n-]c(-c3ccccn3)n2)cc1 ZINC000283394626 498873213 /nfs/dbraw/zinc/87/32/13/498873213.db2.gz GROZTASZLJAQOO-CYBMUJFWSA-N -1 3 363.421 3.448 20 0 FGADHM O=C(NC1CCN(C(=O)Nc2ccccc2)CC1)c1cc([O-])ccc1Cl ZINC000366366286 498894313 /nfs/dbraw/zinc/89/43/13/498894313.db2.gz UTDKGYGMOMLLRP-UHFFFAOYSA-N -1 3 373.840 3.472 20 0 FGADHM CCc1nccn1[C@H]1CCCN(C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)C1 ZINC000333104140 498900732 /nfs/dbraw/zinc/90/07/32/498900732.db2.gz VXZKLSNZVHQIOM-HNNXBMFYSA-N -1 3 369.465 3.342 20 0 FGADHM Cc1cnn(C2CCN(C(=O)c3cc([O-])ccc3C(F)(F)F)CC2)c1 ZINC000366378786 498902016 /nfs/dbraw/zinc/90/20/16/498902016.db2.gz LQPBJPKJVLQOGV-UHFFFAOYSA-N -1 3 353.344 3.393 20 0 FGADHM CC(C)c1cc(C(=O)NC[C@@H]2CCCN(C(N)=O)C2)c([O-])c(C(C)C)c1 ZINC000287981407 498917926 /nfs/dbraw/zinc/91/79/26/498917926.db2.gz BPRJNJBBLDOQDO-AWEZNQCLSA-N -1 3 361.486 3.160 20 0 FGADHM COc1ccc([O-])c(C(=O)N2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)c1 ZINC000288036380 498930146 /nfs/dbraw/zinc/93/01/46/498930146.db2.gz TYUZKLXFOROYBD-CEXWTWQISA-N -1 3 353.418 3.046 20 0 FGADHM COCC[C@@H]([N-]S(=O)(=O)C[C@@H]1CCCC1(F)F)c1ccc(C)o1 ZINC000295194801 498939101 /nfs/dbraw/zinc/93/91/01/498939101.db2.gz RPVCADGLNDKVDT-QWHCGFSZSA-N -1 3 351.415 3.020 20 0 FGADHM Cc1nc(C)n(C[C@@H]2CCCN(C(=O)c3cc4c(cc3[O-])CCCC4)C2)n1 ZINC000333220605 498942033 /nfs/dbraw/zinc/94/20/33/498942033.db2.gz DPNTYOPBKKZTNH-MRXNPFEDSA-N -1 3 368.481 3.032 20 0 FGADHM Cc1csc([C@@H]([N-]S(=O)(=O)c2ccc(C)cc2)C(F)(F)F)n1 ZINC000295205840 498942967 /nfs/dbraw/zinc/94/29/67/498942967.db2.gz OGAOMILDNQFVHB-LLVKDONJSA-N -1 3 350.387 3.342 20 0 FGADHM CC(C)CN(CCC(=O)[O-])Cc1nc2ccc(Br)cc2n1C ZINC000570218877 506117435 /nfs/dbraw/zinc/11/74/35/506117435.db2.gz CTMTVSVDBVILOP-UHFFFAOYSA-N -1 3 368.275 3.269 20 0 FGADHM COC[C@@H]([N-]S(=O)(=O)C[C@@H]1CCCCC1(F)F)c1ccc(C)o1 ZINC000295253694 498957212 /nfs/dbraw/zinc/95/72/12/498957212.db2.gz QQRURMLQWIISLJ-QWHCGFSZSA-N -1 3 351.415 3.020 20 0 FGADHM CCOC(=O)c1cc(CC)sc1[N-]C(=O)c1cnc(COC)s1 ZINC000288162505 498957828 /nfs/dbraw/zinc/95/78/28/498957828.db2.gz PLXXAHXKAGXOLI-UHFFFAOYSA-N -1 3 354.453 3.342 20 0 FGADHM CC1CCC(=CC(=O)NC2CCN(C(=O)c3cccc([O-])c3)CC2)CC1 ZINC000363726663 498963091 /nfs/dbraw/zinc/96/30/91/498963091.db2.gz AGUGNRWPDGORTC-UHFFFAOYSA-N -1 3 356.466 3.250 20 0 FGADHM C[C@H]1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])CC12CCC2 ZINC000333303079 498973248 /nfs/dbraw/zinc/97/32/48/498973248.db2.gz TXQFZNAKRMLPLZ-RDJZCZTQSA-N -1 3 356.466 3.036 20 0 FGADHM Cc1nc(C)c(CCC(=O)N[C@@H]2CC(C)(C)Oc3cc(F)ccc32)c(=O)[n-]1 ZINC000363763120 498979983 /nfs/dbraw/zinc/97/99/83/498979983.db2.gz OWQQWRZOWBLOIP-MRXNPFEDSA-N -1 3 373.428 3.289 20 0 FGADHM C[C@H]1C[C@H](NC(=O)c2cc([O-])ccc2Cl)c2ccsc2S1(=O)=O ZINC000291553220 498988105 /nfs/dbraw/zinc/98/81/05/498988105.db2.gz NAUNCZWYEDHGMQ-SDBXPKJASA-N -1 3 371.867 3.144 20 0 FGADHM CCO[C@@H](C)c1nc(-c2nnc(-c3cccc(Br)c3)[n-]2)no1 ZINC000283812267 498989349 /nfs/dbraw/zinc/98/93/49/498989349.db2.gz IZJWYYJRJFDVFU-QMMMGPOBSA-N -1 3 364.203 3.382 20 0 FGADHM CCO[C@@H](C)c1nc(-c2nc(-c3cccc(Br)c3)n[n-]2)no1 ZINC000283812267 498989356 /nfs/dbraw/zinc/98/93/56/498989356.db2.gz IZJWYYJRJFDVFU-QMMMGPOBSA-N -1 3 364.203 3.382 20 0 FGADHM CCO[C@@H](C)c1nc(-c2n[n-]c(-c3cccc(Br)c3)n2)no1 ZINC000283812267 498989364 /nfs/dbraw/zinc/98/93/64/498989364.db2.gz IZJWYYJRJFDVFU-QMMMGPOBSA-N -1 3 364.203 3.382 20 0 FGADHM O=S(=O)([N-][C@@H]1CCO[C@@H](C2CC2)C1)c1ccc(C(F)(F)F)s1 ZINC000291657242 499025742 /nfs/dbraw/zinc/02/57/42/499025742.db2.gz IWTSADGIDOJBIU-NXEZZACHSA-N -1 3 355.403 3.003 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N3CCC[C@@H]3[C@H]3CCCC3=O)c[n-]c12 ZINC000288455083 499029090 /nfs/dbraw/zinc/02/90/90/499029090.db2.gz PPOPVHZIQOIKDL-CZUORRHYSA-N -1 3 356.397 3.362 20 0 FGADHM COc1cc(/C=C/C(=O)NCCC(C)(F)F)cc(Br)c1[O-] ZINC000295526014 499042523 /nfs/dbraw/zinc/04/25/23/499042523.db2.gz FNFHAGTUECGRSR-ONEGZZNKSA-N -1 3 364.186 3.338 20 0 FGADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CCC(Oc2ncccc2F)CC1 ZINC000333716833 499063475 /nfs/dbraw/zinc/06/34/75/499063475.db2.gz NDVBLCIKZUZBDM-UHFFFAOYSA-N -1 3 370.424 3.489 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)NCC(C)(C)c3ccccn3)c[n-]c12 ZINC000295617679 499064767 /nfs/dbraw/zinc/06/47/67/499064767.db2.gz YITIZRJOWJSDKK-UHFFFAOYSA-N -1 3 353.397 3.491 20 0 FGADHM C[C@H](C[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)c1nccs1 ZINC000291780005 499065131 /nfs/dbraw/zinc/06/51/31/499065131.db2.gz WTJWZLDOMZLSLS-SSDOTTSWSA-N -1 3 356.416 3.305 20 0 FGADHM O=S(=O)(C[C@@H]1CCCC1(F)F)[N-][C@@H](c1ccccc1)[C@H]1CCCO1 ZINC000295677228 499078474 /nfs/dbraw/zinc/07/84/74/499078474.db2.gz JZVVOHCRRQAUEC-XHSDSOJGSA-N -1 3 359.438 3.262 20 0 FGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@@H]3CCCCC[C@H]3O)s2)cs1 ZINC000329241036 499082441 /nfs/dbraw/zinc/08/24/41/499082441.db2.gz RKVUNLRKHRJTNJ-DGCLKSJQSA-N -1 3 372.537 3.152 20 0 FGADHM CC(C)n1ncc2c1[C@H](NC(=O)c1c[n-]c3ccccc3c1=O)CCC2 ZINC000364026910 499090564 /nfs/dbraw/zinc/09/05/64/499090564.db2.gz AYMVKILWYOFXLU-QGZVFWFLSA-N -1 3 350.422 3.113 20 0 FGADHM Cc1nc(S(=O)(=O)[C@@H](C)C(=O)Nc2c(C)cccc2C(C)C)[n-]c1C ZINC000295780557 499100418 /nfs/dbraw/zinc/10/04/18/499100418.db2.gz CMYZNCRNECUKJA-AWEZNQCLSA-N -1 3 363.483 3.259 20 0 FGADHM O=c1[n-]c(CN2CCC[C@@H]2[C@H]2CCC[C@H]2O)nc2c3ccccc3oc21 ZINC000582103667 506134300 /nfs/dbraw/zinc/13/43/00/506134300.db2.gz VOBASZXRKZTNLH-BPLDGKMQSA-N -1 3 353.422 3.207 20 0 FGADHM O=C([N-]c1nnc(/C=C/c2ccco2)s1)c1cc(CN2CCCC2)on1 ZINC000291962038 499112310 /nfs/dbraw/zinc/11/23/10/499112310.db2.gz RMCJRWUXEIHRCM-AATRIKPKSA-N -1 3 371.422 3.138 20 0 FGADHM C[C@@H](Cc1nc(-c2ccccc2)no1)NC(=O)Cc1ccc([O-])cc1Cl ZINC000366916624 499114724 /nfs/dbraw/zinc/11/47/24/499114724.db2.gz XGVQWMXZZPHDLJ-LBPRGKRZSA-N -1 3 371.824 3.386 20 0 FGADHM C[C@@H]1CCC[C@@H](NC(=O)NC2CCN(C(=O)c3cccc([O-])c3)CC2)CC1 ZINC000372707245 499164205 /nfs/dbraw/zinc/16/42/05/499164205.db2.gz STIDAVANBQZHDK-NVXWUHKLSA-N -1 3 373.497 3.265 20 0 FGADHM CCc1ccc(C(=O)N2CCC[C@@H](Cc3nnc4ccccn43)C2)c([O-])c1 ZINC000372734419 499168001 /nfs/dbraw/zinc/16/80/01/499168001.db2.gz CFEXFPJZJVFPOT-INIZCTEOSA-N -1 3 364.449 3.092 20 0 FGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CC(C)(c2ccccc2F)C1 ZINC000370113600 499182517 /nfs/dbraw/zinc/18/25/17/499182517.db2.gz RMOZJVGEXNBWRV-UHFFFAOYSA-N -1 3 357.429 3.341 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3oc(CO)cc3C)c2)n1 ZINC000367393976 499193500 /nfs/dbraw/zinc/19/35/00/499193500.db2.gz JHFQPFGAOKNUFQ-UHFFFAOYSA-N -1 3 353.378 3.058 20 0 FGADHM CN(C(=O)c1ccc(O)cc1[O-])[C@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000370189268 499195512 /nfs/dbraw/zinc/19/55/12/499195512.db2.gz PLGNQVYWCAWYTN-GOSISDBHSA-N -1 3 369.808 3.403 20 0 FGADHM O=C(N[C@H]1C[C@H](c2cc(F)cc(F)c2)C1)c1cc(=O)c2ccccc2[n-]1 ZINC000370201144 499196865 /nfs/dbraw/zinc/19/68/65/499196865.db2.gz HLZYGVAGCLAOEI-NNUKFRKNSA-N -1 3 354.356 3.482 20 0 FGADHM COc1ccc(C2=CCN([C@H](C)C(=O)[N-]c3cc(C)no3)CC2)cc1OC ZINC000367528753 499209198 /nfs/dbraw/zinc/20/91/98/499209198.db2.gz IYPVGNRGKXMNCP-CQSZACIVSA-N -1 3 371.437 3.117 20 0 FGADHM O=c1cc(CN2CCC[C@](O)(c3ccccc3)CC2)c2ccc([O-])cc2o1 ZINC000367683652 499224449 /nfs/dbraw/zinc/22/44/49/499224449.db2.gz JDZSCGCHQXRNRJ-JOCHJYFZSA-N -1 3 365.429 3.372 20 0 FGADHM O=C(Nc1cc(-c2cccnc2)nn1CCO)c1cc([O-])c2ccccc2c1 ZINC000368115087 499265907 /nfs/dbraw/zinc/26/59/07/499265907.db2.gz QCEOJTZXALOBSM-UHFFFAOYSA-N -1 3 374.400 3.049 20 0 FGADHM CCc1cc(C(=O)N2CCC(NC(=O)c3cccs3)CC2)ccc1[O-] ZINC000368283294 499281496 /nfs/dbraw/zinc/28/14/96/499281496.db2.gz ALRHIUOIUCLTEN-UHFFFAOYSA-N -1 3 358.463 3.051 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@@]3(C)CCO[C@@H]3C3CC3)nc2)n1 ZINC000368366847 499289396 /nfs/dbraw/zinc/28/93/96/499289396.db2.gz ITHRCWHWZXLXOO-UYAOXDASSA-N -1 3 354.454 3.424 20 0 FGADHM CN(C)C(=O)c1cccc(CN2CCC(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000371455748 499328993 /nfs/dbraw/zinc/32/89/93/499328993.db2.gz IAQISXYZQPREOY-UHFFFAOYSA-N -1 3 366.461 3.189 20 0 FGADHM O=C(N=c1[nH][n-]cc1Br)[C@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000582138092 506142771 /nfs/dbraw/zinc/14/27/71/506142771.db2.gz XLHOSKRESLNYKL-KGLIPLIRSA-N -1 3 356.223 3.490 20 0 FGADHM CCOc1ccccc1C(F)(F)C(=O)[N-][C@H](c1nc[nH]n1)c1ccccc1 ZINC000368823973 499336779 /nfs/dbraw/zinc/33/67/79/499336779.db2.gz OPALEJZWGOKSPG-INIZCTEOSA-N -1 3 372.375 3.201 20 0 FGADHM O=C(c1ccccc1[O-])N1CCCN(c2ccc(-c3ccccc3)nn2)CC1 ZINC000371577683 499344107 /nfs/dbraw/zinc/34/41/07/499344107.db2.gz OIAGSGHDDUWLJY-UHFFFAOYSA-N -1 3 374.444 3.202 20 0 FGADHM CSc1ccc(C(=O)N2CCC[C@H](c3noc(C4CC4)n3)C2)c([O-])c1 ZINC000368904603 499345245 /nfs/dbraw/zinc/34/52/45/499345245.db2.gz HGOCDAJVSMRRME-LBPRGKRZSA-N -1 3 359.451 3.394 20 0 FGADHM COc1cc(-c2noc(CN3c4ccsc4CCCC3=O)n2)ccc1[O-] ZINC000369144077 499370404 /nfs/dbraw/zinc/37/04/04/499370404.db2.gz QBCUCSMOAQBYBP-UHFFFAOYSA-N -1 3 371.418 3.382 20 0 FGADHM C[C@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)c1ccccc1-n1cccn1 ZINC000371936045 499381609 /nfs/dbraw/zinc/38/16/09/499381609.db2.gz BGNZIAVEOJBZJE-AWEZNQCLSA-N -1 3 358.401 3.205 20 0 FGADHM COc1ccc(C(=O)N[C@H](c2noc(C3CC3)n2)c2ccccc2)c([O-])c1 ZINC000369302394 499389410 /nfs/dbraw/zinc/38/94/10/499389410.db2.gz PVWUWADQGZWNHK-KRWDZBQOSA-N -1 3 365.389 3.181 20 0 FGADHM CC(C)[C@H]1CCCCN1C(=O)NC1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000369424842 499402231 /nfs/dbraw/zinc/40/22/31/499402231.db2.gz VNIWAYAPRBLHNU-LJQANCHMSA-N -1 3 373.497 3.217 20 0 FGADHM O=C(Nc1ccc(-c2cnccn2)cn1)c1c[n-]nc1-c1ccc(F)cc1 ZINC000369544822 499415200 /nfs/dbraw/zinc/41/52/00/499415200.db2.gz AIYNLAVLKHAKDB-UHFFFAOYSA-N -1 3 360.352 3.320 20 0 FGADHM CC(=O)N1CCCC[C@@H]1c1ccc(C(=O)Nc2cc(F)ccc2[O-])n1C ZINC000369576193 499421303 /nfs/dbraw/zinc/42/13/03/499421303.db2.gz JMDKTFIPFVDFBD-MRXNPFEDSA-N -1 3 359.401 3.196 20 0 FGADHM Cc1nc(C)c(CCC(=O)N[C@H]2CCC[C@@H]2c2ccc(F)cc2)c(=O)[n-]1 ZINC000369644541 499430504 /nfs/dbraw/zinc/43/05/04/499430504.db2.gz YZIHOTZOBTULRF-MSOLQXFVSA-N -1 3 357.429 3.323 20 0 FGADHM Cc1nc(C)c(CCC(=O)N[C@H]2CCC[C@H]2c2ccc(F)cc2)c(=O)[n-]1 ZINC000369644543 499430617 /nfs/dbraw/zinc/43/06/17/499430617.db2.gz YZIHOTZOBTULRF-ROUUACIJSA-N -1 3 357.429 3.323 20 0 FGADHM COc1ccc([O-])c(C(=O)N2CCC(c3nc(C(F)(F)F)c[nH]3)CC2)c1 ZINC000369740783 499439862 /nfs/dbraw/zinc/43/98/62/499439862.db2.gz GGUFGPDDGJWUSM-UHFFFAOYSA-N -1 3 369.343 3.163 20 0 FGADHM CSc1ccc(C(=O)N2CCC3(C[C@H]3c3nnc(C)o3)CC2)c([O-])c1 ZINC000373071245 499449856 /nfs/dbraw/zinc/44/98/56/499449856.db2.gz ROEJOIDEUKCQFX-AWEZNQCLSA-N -1 3 359.451 3.215 20 0 FGADHM O=c1[n-]c(CN2CCC(c3noc(C(F)F)n3)CC2)nc2ccsc21 ZINC000373288610 499461670 /nfs/dbraw/zinc/46/16/70/499461670.db2.gz ZACLHAUPSCJGIT-UHFFFAOYSA-N -1 3 367.381 3.097 20 0 FGADHM CC(C)(C)C(=O)N1CCCN(C(=O)c2cc([O-])ccc2C(F)(F)F)CC1 ZINC000373469547 499471772 /nfs/dbraw/zinc/47/17/72/499471772.db2.gz ONRHVPPWDPQTJE-UHFFFAOYSA-N -1 3 372.387 3.132 20 0 FGADHM Cn1ccnc1[C@@H]1CCCN(C(=O)c2cc([O-])ccc2C(F)(F)F)C1 ZINC000373571117 499477356 /nfs/dbraw/zinc/47/73/56/499477356.db2.gz BXZKSTMKHVCLSJ-LLVKDONJSA-N -1 3 353.344 3.164 20 0 FGADHM CCOC(CC(=O)Nc1cccc(-c2nc(CC)cc(=O)[n-]2)c1)OCC ZINC000373715922 499484712 /nfs/dbraw/zinc/48/47/12/499484712.db2.gz WDZVNSHGHXBYPO-UHFFFAOYSA-N -1 3 359.426 3.139 20 0 FGADHM Cc1cn(-c2ncccc2F)nc1NC(=O)Cc1ccc([O-])cc1Cl ZINC000378215679 499490791 /nfs/dbraw/zinc/49/07/91/499490791.db2.gz AOGGYYBJLSPNGC-UHFFFAOYSA-N -1 3 360.776 3.255 20 0 FGADHM O=C(c1c[n-]c2ccccc2c1=O)N1CCC[C@@]2(C1)OCc1ccccc12 ZINC000375396863 499513894 /nfs/dbraw/zinc/51/38/94/499513894.db2.gz XTXGUDSZYRBNEX-QFIPXVFZSA-N -1 3 360.413 3.190 20 0 FGADHM Cc1cccc([O-])c1NC(=O)[C@H]1CS[C@]2(c3ccccc3)CCC(=O)N12 ZINC000378495649 499524173 /nfs/dbraw/zinc/52/41/73/499524173.db2.gz NGHIBVHXLHEYDQ-QRWLVFNGSA-N -1 3 368.458 3.230 20 0 FGADHM O=C(Cc1ccc([O-])cc1Cl)N1CCC(c2ccccc2CO)CC1 ZINC000375559297 499532448 /nfs/dbraw/zinc/53/24/48/499532448.db2.gz VAVYABXNEDUFOY-UHFFFAOYSA-N -1 3 359.853 3.487 20 0 FGADHM COC(=O)c1[n-]c(=N[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)sc1C ZINC000379641860 499542004 /nfs/dbraw/zinc/54/20/04/499542004.db2.gz VLLOIQHWWOFEQD-XJKSGUPXSA-N -1 3 359.495 3.125 20 0 FGADHM O=S(=O)([N-][C@H](CO)C1CCCCC1)c1cccc(Cl)c1Cl ZINC000386176799 499548855 /nfs/dbraw/zinc/54/88/55/499548855.db2.gz GYEZMYIUCSJTRW-GFCCVEGCSA-N -1 3 352.283 3.213 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]CCCC(C)(F)F)c(Br)c1 ZINC000390246024 499553834 /nfs/dbraw/zinc/55/38/34/499553834.db2.gz GONVCICFKADLKE-UHFFFAOYSA-N -1 3 356.232 3.471 20 0 FGADHM CC(C)(C)OC(=O)[C@@H]([N-]S(=O)(=O)C1CCCCC1)c1ccccc1 ZINC000392587314 499558810 /nfs/dbraw/zinc/55/88/10/499558810.db2.gz JIOACMIVFCGAGC-INIZCTEOSA-N -1 3 353.484 3.322 20 0 FGADHM CC[C@@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C(C)(C)O ZINC000394011263 499560777 /nfs/dbraw/zinc/56/07/77/499560777.db2.gz ILRPSSPLOPCMEJ-LLVKDONJSA-N -1 3 359.797 3.187 20 0 FGADHM CCOc1nc2cc(C(=O)N3CCC(F)(c4cccnc4)CC3)ccc2[n-]1 ZINC000375911572 499567906 /nfs/dbraw/zinc/56/79/06/499567906.db2.gz ZJZQYMPDKIPWPP-UHFFFAOYSA-N -1 3 368.412 3.458 20 0 FGADHM CCOc1nc2ccc(C(=O)N3CCC(F)(c4cccnc4)CC3)cc2[n-]1 ZINC000375911572 499567907 /nfs/dbraw/zinc/56/79/07/499567907.db2.gz ZJZQYMPDKIPWPP-UHFFFAOYSA-N -1 3 368.412 3.458 20 0 FGADHM Cc1sc(Br)cc1S(=O)(=O)[N-]Cc1ccc(C)cn1 ZINC000400849413 499568785 /nfs/dbraw/zinc/56/87/85/499568785.db2.gz FERXLUJWKRVFSS-UHFFFAOYSA-N -1 3 361.286 3.001 20 0 FGADHM COc1cc2c(cc1OC)CCN(C(=O)c1ccc(SC)cc1[O-])CC2 ZINC000375949109 499570708 /nfs/dbraw/zinc/57/07/08/499570708.db2.gz VMWFBFBLUXFLQU-UHFFFAOYSA-N -1 3 373.474 3.372 20 0 FGADHM O=C(c1ccc(C(=O)N2CCC[C@H]2[C@@H]2CCCO2)cc1)c1cccc([O-])c1 ZINC000375966163 499572459 /nfs/dbraw/zinc/57/24/59/499572459.db2.gz WYYMDIKNCMYLIS-PMACEKPBSA-N -1 3 365.429 3.407 20 0 FGADHM CS(=O)(=O)[N-]c1ccc(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)cc1 ZINC000408118534 499577246 /nfs/dbraw/zinc/57/72/46/499577246.db2.gz SYNDTDOTKYHOED-JLJPHGGASA-N -1 3 350.484 3.147 20 0 FGADHM CS[C@@H]1CCCCN(C(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)C1 ZINC000408152818 499578237 /nfs/dbraw/zinc/57/82/37/499578237.db2.gz FEXKPKRBVABBLU-LLVKDONJSA-N -1 3 352.406 3.164 20 0 FGADHM CC(C)(C)[C@@H]1CCCN(C(=O)c2ccc([N-]S(C)(=O)=O)cc2)CC1 ZINC000408177917 499579299 /nfs/dbraw/zinc/57/92/99/499579299.db2.gz NRKXEPLDIDCPAU-OAHLLOKOSA-N -1 3 352.500 3.347 20 0 FGADHM CC1(C)CCC[C@H](C(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)C1 ZINC000408408089 499587134 /nfs/dbraw/zinc/58/71/34/499587134.db2.gz NSDVOVGLWFXJIE-HNNXBMFYSA-N -1 3 358.482 3.329 20 0 FGADHM Cn1ncc2c1ncc(C(=O)N1C[C@H](c3ccccc3)[C@H]3CCC[C@@H]31)c2[O-] ZINC000376160368 499587491 /nfs/dbraw/zinc/58/74/91/499587491.db2.gz NLHFFHBSQOUBLR-OLMNPRSZSA-N -1 3 362.433 3.082 20 0 FGADHM Cc1n[nH]c(C)c1[C@@H]1COCCN1C(=O)c1cc([O-])c2ccccc2c1 ZINC000376320866 499600268 /nfs/dbraw/zinc/60/02/68/499600268.db2.gz WIOYNUWZQVYOGZ-KRWDZBQOSA-N -1 3 351.406 3.099 20 0 FGADHM FC(F)(F)c1nc(=NC2CC(N3CCC(C(F)(F)F)CC3)C2)s[n-]1 ZINC000376379830 499604310 /nfs/dbraw/zinc/60/43/10/499604310.db2.gz CAMXDRDADUJUTL-UHFFFAOYSA-N -1 3 374.354 3.196 20 0 FGADHM FC(F)(F)c1nsc(=NC2CC(N3CCC(C(F)(F)F)CC3)C2)[n-]1 ZINC000376379830 499604311 /nfs/dbraw/zinc/60/43/11/499604311.db2.gz CAMXDRDADUJUTL-UHFFFAOYSA-N -1 3 374.354 3.196 20 0 FGADHM O=C(Nc1n[n-]c(-c2ccc(Br)cc2F)n1)c1cccnc1 ZINC000409540878 499604920 /nfs/dbraw/zinc/60/49/20/499604920.db2.gz KHUKPJVRBYPBLA-UHFFFAOYSA-N -1 3 362.162 3.021 20 0 FGADHM Cc1cc(C)cc([C@]2(F)CCN(C(=O)CCc3c(C)nc(C)[n-]c3=O)C2)c1 ZINC000376571199 499619445 /nfs/dbraw/zinc/61/94/45/499619445.db2.gz ZNMVKPFPOKABJY-NRFANRHFSA-N -1 3 371.456 3.446 20 0 FGADHM Cc1ncc(CNC(=O)C(Cc2ccccc2)Cc2ccccc2)c(=O)[n-]1 ZINC000409918509 499629452 /nfs/dbraw/zinc/62/94/52/499629452.db2.gz HDCRARCPWZRNEQ-UHFFFAOYSA-N -1 3 361.445 3.208 20 0 FGADHM CCN(C(=O)c1cccc(C)c1[O-])[C@H](c1nccn1C)c1cccnc1 ZINC000376818529 499637282 /nfs/dbraw/zinc/63/72/82/499637282.db2.gz KTOUIZCYOCLDPW-KRWDZBQOSA-N -1 3 350.422 3.081 20 0 FGADHM O=C([N-]c1nnc(Cc2cccc(F)c2)s1)c1cnc2ccccc2n1 ZINC000410047387 499638077 /nfs/dbraw/zinc/63/80/77/499638077.db2.gz PIUXGSAKEIFEBD-UHFFFAOYSA-N -1 3 365.393 3.464 20 0 FGADHM Cc1cccc2oc(CC[N-]S(=O)(=O)c3ccc(Cl)s3)nc21 ZINC000410318023 499654596 /nfs/dbraw/zinc/65/45/96/499654596.db2.gz NFJKLCDJVNQUQC-UHFFFAOYSA-N -1 3 356.856 3.372 20 0 FGADHM COC(=O)c1ccc(F)c([N-]S(=O)(=O)Cc2cc(C)cc(C)c2)c1 ZINC000410337786 499655826 /nfs/dbraw/zinc/65/58/26/499655826.db2.gz PURCHOMRGGMLQA-UHFFFAOYSA-N -1 3 351.399 3.171 20 0 FGADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2Cl)cc1OC ZINC000410356785 499657203 /nfs/dbraw/zinc/65/72/03/499657203.db2.gz XHIIALNIVFAEDY-UHFFFAOYSA-N -1 3 373.789 3.075 20 0 FGADHM C[C@H](NC(=O)c1c[n-]c2ccccc2c1=O)c1nccn1-c1ccccc1 ZINC000377118357 499663805 /nfs/dbraw/zinc/66/38/05/499663805.db2.gz KVGYVGYWQMNART-AWEZNQCLSA-N -1 3 358.401 3.205 20 0 FGADHM Cc1cc(C(=O)N=c2[nH][n-]c(C)c2-c2ccncc2)nn1-c1ccc(C)cc1 ZINC000377202387 499670402 /nfs/dbraw/zinc/67/04/02/499670402.db2.gz VBHQOBBJTVFBSR-UHFFFAOYSA-N -1 3 372.432 3.257 20 0 FGADHM CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1NC(=O)C(=O)[N-]c1nccn1-c1ccccc1 ZINC000411131552 499701079 /nfs/dbraw/zinc/70/10/79/499701079.db2.gz JVOHNQSXDCQBEN-NJAFHUGGSA-N -1 3 368.481 3.388 20 0 FGADHM CCCN(CC(=O)Nc1ccccc1C)C(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000411131138 499701186 /nfs/dbraw/zinc/70/11/86/499701186.db2.gz HZSQAHAVHLIHRT-UHFFFAOYSA-N -1 3 368.433 3.394 20 0 FGADHM CCc1ccc([C@H](CNC(=O)c2ccc(C(C)=O)c([O-])c2)N(C)C)cc1 ZINC000411162371 499704859 /nfs/dbraw/zinc/70/48/59/499704859.db2.gz ZDYNCVHSOKMQRS-IBGZPJMESA-N -1 3 354.450 3.190 20 0 FGADHM Cc1cncc(-c2cc(=NC(=O)c3cc(COC(C)(C)C)on3)[n-]o2)c1 ZINC000377627584 499712824 /nfs/dbraw/zinc/71/28/24/499712824.db2.gz QYXIXNUYJDNXHL-UHFFFAOYSA-N -1 3 356.382 3.022 20 0 FGADHM CCN1C(=O)CO[C@H](c2nc(-c3ccc([O-])cc3)no2)[C@H]1c1ccccc1 ZINC000377782202 499732625 /nfs/dbraw/zinc/73/26/25/499732625.db2.gz SGPLHDLNDUVHAE-MSOLQXFVSA-N -1 3 365.389 3.103 20 0 FGADHM COc1cc([C@@H](C)NC(=O)c2ccc(C(C)=O)c([O-])c2)cc(OC)c1OC ZINC000411432875 499739500 /nfs/dbraw/zinc/73/95/00/499739500.db2.gz WUBFSUBNDYKKJP-LLVKDONJSA-N -1 3 373.405 3.112 20 0 FGADHM COC(=O)CC1(NCc2nc(=O)c3c(-c4ccco4)csc3[n-]2)CCC1 ZINC000411474404 499745120 /nfs/dbraw/zinc/74/51/20/499745120.db2.gz BUBKTRZVHXVNLO-UHFFFAOYSA-N -1 3 373.434 3.232 20 0 FGADHM COc1cc(C(=O)N2CC[C@@]3(C2)CCc2ccccc2O3)cc(OC)c1[O-] ZINC000378034941 499755583 /nfs/dbraw/zinc/75/55/83/499755583.db2.gz FUMBIYZWKQSMBM-OAQYLSRUSA-N -1 3 369.417 3.019 20 0 FGADHM O=C(c1c[n-]c2ccccc2c1=O)N1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000378045924 499756086 /nfs/dbraw/zinc/75/60/86/499756086.db2.gz MZMDWTDGUHXYPC-JOCHJYFZSA-N -1 3 360.413 3.138 20 0 FGADHM Cc1cccc(S(=O)(=O)[N-]c2ccc(OCCN(C)C)c(F)c2)c1F ZINC000414385661 499784416 /nfs/dbraw/zinc/78/44/16/499784416.db2.gz FRANYBWCERZIBB-UHFFFAOYSA-N -1 3 370.421 3.014 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(OCCN(C)C)c(F)c2)cc1C ZINC000414385743 499784598 /nfs/dbraw/zinc/78/45/98/499784598.db2.gz GDHNEHLWKDUQQU-UHFFFAOYSA-N -1 3 366.458 3.184 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2cc(OC)cc(OC)c2Cl)c(C)c1 ZINC000414402132 499787234 /nfs/dbraw/zinc/78/72/34/499787234.db2.gz ZPPBEMUQGGIMQC-UHFFFAOYSA-N -1 3 371.842 3.475 20 0 FGADHM CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000414445011 499792935 /nfs/dbraw/zinc/79/29/35/499792935.db2.gz MGEDDQDEGKCOKJ-ZIFCJYIRSA-N -1 3 372.509 3.077 20 0 FGADHM COC(=O)c1cc([N-]S(=O)(=O)Cc2ccc(C)cc2F)c(C)s1 ZINC000414453401 499794115 /nfs/dbraw/zinc/79/41/15/499794115.db2.gz BLZFGFUJTDUVKZ-UHFFFAOYSA-N -1 3 357.428 3.233 20 0 FGADHM COC(=O)c1cc([N-]S(=O)(=O)Cc2c(C)cccc2C)c(C)s1 ZINC000414456795 499794495 /nfs/dbraw/zinc/79/44/95/499794495.db2.gz IIEJWUPUZSJGMD-UHFFFAOYSA-N -1 3 353.465 3.402 20 0 FGADHM COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1ccc(CN(C)C)c(C)c1 ZINC000414465829 499795370 /nfs/dbraw/zinc/79/53/70/499795370.db2.gz TUULWVUGSWYHIE-UHFFFAOYSA-N -1 3 362.495 3.483 20 0 FGADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)C[C@H](C)c2cnn(C)c2)[nH][n-]1 ZINC000411840549 499796342 /nfs/dbraw/zinc/79/63/42/499796342.db2.gz DIXIOILIEXYZKN-NSHDSACASA-N -1 3 373.844 3.026 20 0 FGADHM CCC(C)(C)OCC(=O)N=c1cc(-c2cc(Cl)ccc2OC)[n-][nH]1 ZINC000411858443 499797461 /nfs/dbraw/zinc/79/74/61/499797461.db2.gz IXTKDSXIFGBMGF-UHFFFAOYSA-N -1 3 351.834 3.304 20 0 FGADHM CCN=c1[n-]c(C(=O)N[C@H](CCO)c2ccc(Cl)c(Cl)c2)cs1 ZINC000573279871 506160576 /nfs/dbraw/zinc/16/05/76/506160576.db2.gz OCKGLJALEYOVFP-GFCCVEGCSA-N -1 3 374.293 3.157 20 0 FGADHM C[C@H](CCN[C@H]1CCN([C@@H](C(=O)[O-])c2ccccc2)C1=O)c1ccccc1 ZINC000414658960 499817876 /nfs/dbraw/zinc/81/78/76/499817876.db2.gz NNPYIEQNIDZYAY-LSTHTHJFSA-N -1 3 366.461 3.197 20 0 FGADHM CC(C)C[C@H](CN[C@H]1CCN([C@H](C(=O)[O-])C(C)C)C1=O)c1ccccc1 ZINC000414665553 499818879 /nfs/dbraw/zinc/81/88/79/499818879.db2.gz UOWBCKZCMJQETM-QYZOEREBSA-N -1 3 360.498 3.116 20 0 FGADHM O=C([O-])CCCCNCc1cccc(Br)c1OC(F)F ZINC000414671424 499819461 /nfs/dbraw/zinc/81/94/61/499819461.db2.gz AXYJKSXZNOQCBE-UHFFFAOYSA-N -1 3 352.175 3.395 20 0 FGADHM CCO[C@@H](C)c1nc(CN(C)C(=O)c2ccc(C(C)=O)c([O-])c2)cs1 ZINC000412151042 499828410 /nfs/dbraw/zinc/82/84/10/499828410.db2.gz SQGYFLMROPPJKQ-LBPRGKRZSA-N -1 3 362.451 3.421 20 0 FGADHM CC(C)(C)[C@H]1CCN(C(=O)c2c[n-]c3c(Cl)cccc3c2=O)C[C@@H]1O ZINC000412236171 499836967 /nfs/dbraw/zinc/83/69/67/499836967.db2.gz UQSWQXNILKGRQN-ZFWWWQNUSA-N -1 3 362.857 3.051 20 0 FGADHM COc1ccc2c(c1)[n-]cc(C(=O)N1C[C@@H](C)C[C@@H]1c1cccnc1)c2=O ZINC000412245687 499837508 /nfs/dbraw/zinc/83/75/08/499837508.db2.gz DWDJYSVBVZCRPW-ORAYPTAESA-N -1 3 363.417 3.155 20 0 FGADHM CC(=O)c1ccc(C(=O)Nc2nc3c(s2)CN(C(C)C)CC3)cc1[O-] ZINC000412256095 499838528 /nfs/dbraw/zinc/83/85/28/499838528.db2.gz ZRONGHQAVNYVMM-UHFFFAOYSA-N -1 3 359.451 3.070 20 0 FGADHM CC(=O)c1ccc(C(=O)N2CCO[C@@H](c3cccc(Cl)c3)C2)cc1[O-] ZINC000412270942 499840033 /nfs/dbraw/zinc/84/00/33/499840033.db2.gz OGWPDBBUVLKGEU-GOSISDBHSA-N -1 3 359.809 3.462 20 0 FGADHM CC(C)[C@@H](Oc1ccc(Cl)cc1)C(=O)N=c1[nH][n-]cc1Br ZINC000412342542 499846832 /nfs/dbraw/zinc/84/68/32/499846832.db2.gz UNGXGYHTMAUCGD-GFCCVEGCSA-N -1 3 372.650 3.290 20 0 FGADHM CC(=O)c1ccc(C(=O)N2CC[C@@]3(C2)CCc2ccccc2O3)cc1[O-] ZINC000412351200 499847625 /nfs/dbraw/zinc/84/76/25/499847625.db2.gz ANKHIAYGILVAEP-OAQYLSRUSA-N -1 3 351.402 3.205 20 0 FGADHM C[C@H]1Oc2cc(F)ccc2[C@H]1[N-]S(=O)(=O)c1cccc2cccnc21 ZINC000579390141 506162779 /nfs/dbraw/zinc/16/27/79/506162779.db2.gz ODGMBXPMNNUBMK-DIFFPNOSSA-N -1 3 358.394 3.174 20 0 FGADHM CCc1ccc([O-])c(C(=O)N2CC[C@@]3(C2)CC(=O)c2ccccc2O3)c1 ZINC000412661065 499873386 /nfs/dbraw/zinc/87/33/86/499873386.db2.gz TUUYQLDUDLCWNX-NRFANRHFSA-N -1 3 351.402 3.205 20 0 FGADHM C[C@H](CNC(=O)Cc1ccc(Br)cc1[O-])CC(F)(F)F ZINC000412686097 499875440 /nfs/dbraw/zinc/87/54/40/499875440.db2.gz YVWBDACSFCLVOG-QMMMGPOBSA-N -1 3 354.166 3.402 20 0 FGADHM CS(=O)(=O)[N-]c1cc(NC(=O)C2(C(F)(F)F)CCCC2)ccc1F ZINC000416138483 499954994 /nfs/dbraw/zinc/95/49/94/499954994.db2.gz OTFOSNMUHDJNAN-UHFFFAOYSA-N -1 3 368.352 3.258 20 0 FGADHM O=S(=O)([N-][C@@H]1CC[C@@H](F)C1)c1cnc2onc(-c3ccccc3)c2c1 ZINC000579412191 506168008 /nfs/dbraw/zinc/16/80/08/506168008.db2.gz KCGUEFWPZCVLJR-CHWSQXEVSA-N -1 3 361.398 3.059 20 0 FGADHM CC[C@@H](CS(=O)(=O)[N-]c1ccc(NC(=O)c2cccs2)cc1)OC ZINC000421160928 499977563 /nfs/dbraw/zinc/97/75/63/499977563.db2.gz ZDIMSPDIEHMISV-AWEZNQCLSA-N -1 3 368.480 3.167 20 0 FGADHM O=C(c1ccc([O-])c(Cl)c1)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425007734 499991216 /nfs/dbraw/zinc/99/12/16/499991216.db2.gz RDEZHBHGLDXMAD-FUHWJXTLSA-N -1 3 356.853 3.392 20 0 FGADHM O=c1cc(C(F)(F)F)nc(C[S@@](=O)CCc2ccc(Cl)cc2)[n-]1 ZINC000417170795 499994856 /nfs/dbraw/zinc/99/48/56/499994856.db2.gz IXVQEEUKAAPIGZ-QHCPKHFHSA-N -1 3 364.776 3.346 20 0 FGADHM C[C@H]1CCCc2nc(S(=O)(=O)[N-][C@H](c3ccco3)c3ccccc3)cn21 ZINC000416367816 500029422 /nfs/dbraw/zinc/02/94/22/500029422.db2.gz DKDKODZHPUIWRS-LIRRHRJNSA-N -1 3 371.462 3.441 20 0 FGADHM CC(C)c1nc(S(=O)(=O)[N-][C@H](C)c2ccc(OC(F)F)cc2)cn1C ZINC000416371165 500029912 /nfs/dbraw/zinc/02/99/12/500029912.db2.gz MFBMIKZGHRDSHB-LLVKDONJSA-N -1 3 373.425 3.184 20 0 FGADHM CCN(CCc1ccc(C(F)(F)F)cc1)C(=O)c1cc(C)nc(=O)[n-]1 ZINC000425159634 500033071 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O=C([O-])[C@@H]1C=C[C@@H](NCc2cc(Cl)ccc2OC[C@@H]2CCCO2)C1 ZINC000417631046 500131002 /nfs/dbraw/zinc/13/10/02/500131002.db2.gz YSFWYVGMWFVFNK-WQVCFCJDSA-N -1 3 351.830 3.017 20 0 FGADHM C[C@@H](c1ccccc1F)N1CCC[C@@H](NCc2ccc(C(=O)[O-])cc2)C1=O ZINC000582288538 506178032 /nfs/dbraw/zinc/17/80/32/506178032.db2.gz IIHYUGKXVKHUCR-IFXJQAMLSA-N -1 3 370.424 3.366 20 0 FGADHM CC[C@@H](Cc1ccccc1C)C(=O)Nc1c(C(=O)OC)c[n-]c1C(=O)OC ZINC000425565378 500148429 /nfs/dbraw/zinc/14/84/29/500148429.db2.gz VVPTZUAAWDZRAK-ZDUSSCGKSA-N -1 3 372.421 3.104 20 0 FGADHM O=S(=O)([N-]C[C@@H](CO)c1ccccc1)c1ccc(Cl)cc1Cl ZINC000429816270 500149739 /nfs/dbraw/zinc/14/97/39/500149739.db2.gz YVTYXYQPCWCLLF-LBPRGKRZSA-N -1 3 360.262 3.048 20 0 FGADHM CC(C)(C)OC(=O)C(C)(C)CCNC(=O)NCc1ccc([O-])c(F)c1 ZINC000425596193 500156470 /nfs/dbraw/zinc/15/64/70/500156470.db2.gz MDYVXKIJFWIOKI-UHFFFAOYSA-N -1 3 354.422 3.089 20 0 FGADHM CC(C)[C@H]([N-]S(=O)(=O)c1c(Cl)cnn1C)c1ccc(F)cc1F ZINC000429866984 500159683 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C[C@H]1C[C@H](CO)CN(C(=O)c2cc(OCc3ccccc3)ccc2[O-])C1 ZINC000421980426 500189608 /nfs/dbraw/zinc/18/96/08/500189608.db2.gz PYCOVJJEMIITFW-RDJZCZTQSA-N -1 3 355.434 3.062 20 0 FGADHM O=C([O-])c1cccc(NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)c1 ZINC000582301441 506181346 /nfs/dbraw/zinc/18/13/46/506181346.db2.gz HHMGYZLIDFQXGG-INIZCTEOSA-N -1 3 356.397 3.375 20 0 FGADHM CC(C)Cc1ccc([C@H](C)C(=O)NCc2nnc(C(F)(F)F)[n-]2)cc1 ZINC000430099202 500191904 /nfs/dbraw/zinc/19/19/04/500191904.db2.gz SZHYYBHPKFYSMQ-NSHDSACASA-N -1 3 354.376 3.442 20 0 FGADHM CC(C)Cc1ccc([C@H](C)C(=O)NCc2n[n-]c(C(F)(F)F)n2)cc1 ZINC000430099202 500191907 /nfs/dbraw/zinc/19/19/07/500191907.db2.gz SZHYYBHPKFYSMQ-NSHDSACASA-N -1 3 354.376 3.442 20 0 FGADHM CC(C)Cc1ccc([C@H](C)C(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000430099202 500191910 /nfs/dbraw/zinc/19/19/10/500191910.db2.gz SZHYYBHPKFYSMQ-NSHDSACASA-N -1 3 354.376 3.442 20 0 FGADHM COC(=O)[C@H](CNC(=O)[C@H](C)CC(C)(C)C)Cc1ccc([O-])c(F)c1 ZINC000422038803 500203468 /nfs/dbraw/zinc/20/34/68/500203468.db2.gz LYLNROAQAMHEKO-OCCSQVGLSA-N -1 3 353.434 3.052 20 0 FGADHM COC(=O)[C@@H](CNC(=O)CCCc1ccccc1)Cc1ccc([O-])c(F)c1 ZINC000422052271 500206689 /nfs/dbraw/zinc/20/66/89/500206689.db2.gz ZWLADLRWXONDTO-QGZVFWFLSA-N -1 3 373.424 3.002 20 0 FGADHM O=C(N[C@@H]1Cc2cccc(O)c2C1)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000430232263 500212439 /nfs/dbraw/zinc/21/24/39/500212439.db2.gz LSIIEVXSMLBDMI-GOSISDBHSA-N -1 3 373.408 3.226 20 0 FGADHM Cn1cc(C(=O)Nc2cc(Br)ccc2[O-])c2ccccc2c1=O ZINC000430264529 500218383 /nfs/dbraw/zinc/21/83/83/500218383.db2.gz RPKOXBFMVWBMGT-UHFFFAOYSA-N -1 3 373.206 3.259 20 0 FGADHM CCOC(=O)c1ccc(NC(=O)[C@](C)(OC)c2ccccc2F)c([O-])c1 ZINC000430284823 500221558 /nfs/dbraw/zinc/22/15/58/500221558.db2.gz PHXJIZROYNMWEL-LJQANCHMSA-N -1 3 361.369 3.208 20 0 FGADHM O=c1nc(CN(C2CC2)C2COC2)[n-]c2sc(-c3ccccc3)cc21 ZINC000576550863 506183540 /nfs/dbraw/zinc/18/35/40/506183540.db2.gz SKJXSZRUJKJMKZ-UHFFFAOYSA-N -1 3 353.447 3.427 20 0 FGADHM O=C(Cc1cncc([O-])c1)N1CCCC[C@@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000582311382 506183748 /nfs/dbraw/zinc/18/37/48/506183748.db2.gz LKLNGMICCBVTFF-LJQANCHMSA-N -1 3 362.433 3.474 20 0 FGADHM C[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N(C)CCCC(=O)[O-] ZINC000430652575 500266085 /nfs/dbraw/zinc/26/60/85/500266085.db2.gz IMSXZRZYFHHQMX-VIFPVBQESA-N -1 3 366.767 3.482 20 0 FGADHM CCOc1cccc2[nH]cc(Cc3noc(-c4ccc(C(=O)OC)[n-]4)n3)c21 ZINC000426633701 500298047 /nfs/dbraw/zinc/29/80/47/500298047.db2.gz IRSASSAEXYOOGH-UHFFFAOYSA-N -1 3 366.377 3.322 20 0 FGADHM COc1cc(Br)c(CNCCCC(C)(C)C(=O)[O-])c(OC)c1 ZINC000426644647 500299535 /nfs/dbraw/zinc/29/95/35/500299535.db2.gz XLZIWDRWUVTXKF-UHFFFAOYSA-N -1 3 374.275 3.447 20 0 FGADHM CSc1cc2c(cc1CNCCc1ccccc1C(=O)[O-])OCCO2 ZINC000426651763 500301748 /nfs/dbraw/zinc/30/17/48/500301748.db2.gz OPOUIIHNQCYMCU-UHFFFAOYSA-N -1 3 359.447 3.210 20 0 FGADHM COc1ccc(CNC[C@H](Cc2ccccc2Cl)C(=O)[O-])c(OC)c1 ZINC000426699825 500308029 /nfs/dbraw/zinc/30/80/29/500308029.db2.gz 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ZINC000579494245 506188667 /nfs/dbraw/zinc/18/86/67/506188667.db2.gz IDIJNVIWMIHQKG-INIZCTEOSA-N -1 3 361.239 3.456 20 0 FGADHM COc1ccc(CN[C@@H](CN2CCCc3ccccc32)C(=O)[O-])c(Cl)c1 ZINC000426734795 500313064 /nfs/dbraw/zinc/31/30/64/500313064.db2.gz BRFICZDULGYWQA-SFHVURJKSA-N -1 3 374.868 3.344 20 0 FGADHM COc1cccc([C@H](CC(=O)[O-])NCc2cc(OC)c(OC)cc2C)c1 ZINC000426775155 500319091 /nfs/dbraw/zinc/31/90/91/500319091.db2.gz YUKPMNDZULGRCK-KRWDZBQOSA-N -1 3 359.422 3.326 20 0 FGADHM CCc1ccc([C@@H](NCc2cc(OC)c(OC)c(OC)c2)C(=O)[O-])cc1 ZINC000426806169 500322951 /nfs/dbraw/zinc/32/29/51/500322951.db2.gz IKDOVDOLANIPNH-GOSISDBHSA-N -1 3 359.422 3.190 20 0 FGADHM Cc1cc([C@H](NCc2ccc(-n3cncn3)c(C)c2)C(=O)[O-])ccc1Cl ZINC000426806512 500323203 /nfs/dbraw/zinc/32/32/03/500323203.db2.gz BZRZDXJBOQJGET-SFHVURJKSA-N -1 3 370.840 3.453 20 0 FGADHM CCC[C@@H](C)C[C@@H](NCc1cn(-c2ccc(F)c(Cl)c2)nn1)C(=O)[O-] ZINC000426822434 500325218 /nfs/dbraw/zinc/32/52/18/500325218.db2.gz CDMGWXNSBXNTEC-BDJLRTHQSA-N 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ZINC000419450610 500366620 /nfs/dbraw/zinc/36/66/20/500366620.db2.gz LUCJBDPOUWUGLH-NSHDSACASA-N -1 3 358.423 3.373 20 0 FGADHM Cc1ccccc1CNC(=O)[C@@H](C)SCc1cc(=O)[n-]c(C2CC2)n1 ZINC000419600209 500383391 /nfs/dbraw/zinc/38/33/91/500383391.db2.gz HDPMNPAKWOZFJR-CYBMUJFWSA-N -1 3 357.479 3.306 20 0 FGADHM Cc1cccc(Oc2ccc(C(=O)N=c3cc([C@@H]4CCCO4)[n-][nH]3)nc2)c1 ZINC000582346971 506192507 /nfs/dbraw/zinc/19/25/07/506192507.db2.gz WBCDYUUJGOOUIN-SFHVURJKSA-N -1 3 364.405 3.431 20 0 FGADHM O=C(Cc1ccc([O-])cc1Cl)N1CCC[C@@H](Oc2ncccc2F)C1 ZINC000427419624 500391843 /nfs/dbraw/zinc/39/18/43/500391843.db2.gz GQIMPJIQLCCTMI-CQSZACIVSA-N -1 3 364.804 3.192 20 0 FGADHM O=S(=O)([N-][C@H](c1ccccc1)C(F)F)c1cnn(-c2ccccc2)c1 ZINC000431638888 500401529 /nfs/dbraw/zinc/40/15/29/500401529.db2.gz WZADCSIKDFDHJB-MRXNPFEDSA-N -1 3 363.389 3.157 20 0 FGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(NC(=O)[C@@]23C[C@@H]2CCC3)ccc1F ZINC000570561948 506196232 /nfs/dbraw/zinc/19/62/32/506196232.db2.gz 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ZINC000427953691 500450095 /nfs/dbraw/zinc/45/00/95/500450095.db2.gz ZMVGWLQQWOXPRT-UHFFFAOYSA-N -1 3 365.393 3.062 20 0 FGADHM CC(C)(C)n1ncc(C(=O)NCc2ccc([O-])c(F)c2)c1C(F)(F)F ZINC000427959541 500450911 /nfs/dbraw/zinc/45/09/11/500450911.db2.gz YBDLSZADWRIXFC-UHFFFAOYSA-N -1 3 359.323 3.432 20 0 FGADHM O=C(CNC(=O)c1cccc([O-])c1)N[C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000428018062 500458946 /nfs/dbraw/zinc/45/89/46/500458946.db2.gz RHEDXZBEHFIOMY-SFHVURJKSA-N -1 3 368.408 3.013 20 0 FGADHM CCCC1(c2noc(-c3ccc(F)c([N-]S(C)(=O)=O)c3)n2)CCC1 ZINC000420517455 500471952 /nfs/dbraw/zinc/47/19/52/500471952.db2.gz JNKWYZPAEQOCLE-UHFFFAOYSA-N -1 3 353.419 3.469 20 0 FGADHM CC[C@@H]1c2ccsc2CCN1C(=O)CN1CCCC[C@H]1CCC(=O)[O-] ZINC000424251024 500475426 /nfs/dbraw/zinc/47/54/26/500475426.db2.gz CATXIZYGRFSOGO-GOEBONIOSA-N -1 3 364.511 3.303 20 0 FGADHM COc1cc(Br)c(CN2CCC[C@H](C)[C@@H]2C(=O)[O-])cc1OC ZINC000424269401 500478823 /nfs/dbraw/zinc/47/88/23/500478823.db2.gz PGGAIGZTCUYYHX-ZUZCIYMTSA-N -1 3 372.259 3.151 20 0 FGADHM Cc1cc(NC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)ccc1Oc1ccncc1 ZINC000428201609 500480643 /nfs/dbraw/zinc/48/06/43/500480643.db2.gz DYKTUDIBYJYGLX-UHFFFAOYSA-N -1 3 373.368 3.318 20 0 FGADHM CC1(C)CC[C@@H](C[N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)F)O1 ZINC000420689013 500488056 /nfs/dbraw/zinc/48/80/56/500488056.db2.gz MMKZQBPBCDHJQG-JTQLQIEISA-N -1 3 369.817 3.177 20 0 FGADHM CC1(C)C[C@@H]([N-]S(=O)(=O)c2cc(F)ccc2OC(F)F)C(C)(C)O1 ZINC000420686515 500488144 /nfs/dbraw/zinc/48/81/44/500488144.db2.gz JNZJXAKSLNDNCV-GFCCVEGCSA-N -1 3 367.389 3.052 20 0 FGADHM C[C@@H]1C[C@H](C[N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)F)[C@H](C)O1 ZINC000420704777 500490227 /nfs/dbraw/zinc/49/02/27/500490227.db2.gz WTFOOGRIODQUEY-KXUCPTDWSA-N -1 3 369.817 3.033 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)C2(CO)CCC2)c(F)c1 ZINC000432277078 500492215 /nfs/dbraw/zinc/49/22/15/500492215.db2.gz MJOIBRIIMFPGQM-SFHVURJKSA-N -1 3 363.454 3.316 20 0 FGADHM CC[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(OC)c(Cl)c2Cl)CCO1 ZINC000420730162 500492406 /nfs/dbraw/zinc/49/24/06/500492406.db2.gz RGSFYJQBJNBVCW-VHSXEESVSA-N -1 3 368.282 3.238 20 0 FGADHM CC(C)Cn1cnc(S(=O)(=O)[N-][C@H](CC(F)F)c2ccccc2)c1 ZINC000420738194 500493451 /nfs/dbraw/zinc/49/34/51/500493451.db2.gz NCEGLQKPGWBIMR-CQSZACIVSA-N -1 3 357.426 3.214 20 0 FGADHM C[C@@H]1COCC[C@@H]1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000432324383 500499038 /nfs/dbraw/zinc/49/90/38/500499038.db2.gz HVQTUINELVBYLQ-KCJUWKMLSA-N -1 3 357.781 3.062 20 0 FGADHM COc1cc(CN2CCC[C@H](C)[C@@H]2C(=O)[O-])cc(OC)c1OCC(F)F ZINC000424416853 500500740 /nfs/dbraw/zinc/50/07/40/500500740.db2.gz VYRLYHIJCBIFEV-MEDUHNTESA-N -1 3 373.396 3.033 20 0 FGADHM C[C@@H]1CC[C@@H](O)CN1Cc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000421017855 500556148 /nfs/dbraw/zinc/55/61/48/500556148.db2.gz MMOSZBCRRBCUNR-TZMCWYRMSA-N -1 3 355.463 3.409 20 0 FGADHM COC(=O)[C@@H](CNC(=O)Nc1cccc(C)c1C)Cc1ccc([O-])c(F)c1 ZINC000421029176 500558566 /nfs/dbraw/zinc/55/85/66/500558566.db2.gz 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Cc1nnc([C@H](C)NC(=O)c2ccc(C(=O)c3cccc([O-])c3)cc2)s1 ZINC000444310995 500833145 /nfs/dbraw/zinc/83/31/45/500833145.db2.gz JBIAMXCGYMIESV-NSHDSACASA-N -1 3 367.430 3.274 20 0 FGADHM O=C(Cc1ccc([O-])c(F)c1)Nc1ccc(CCC(=O)N2CCCC2)cc1 ZINC000448787928 500834040 /nfs/dbraw/zinc/83/40/40/500834040.db2.gz PQLFHUIFUOFFOO-UHFFFAOYSA-N -1 3 370.424 3.268 20 0 FGADHM O=C(Cc1ccc([O-])c(F)c1)N(Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000448834612 500847314 /nfs/dbraw/zinc/84/73/14/500847314.db2.gz JUVVXCBHZIWZJI-QGZVFWFLSA-N -1 3 361.388 3.421 20 0 FGADHM CNC(=O)c1cccc(CNC(=O)c2cc(Cc3ccccc3)ccc2[O-])c1 ZINC000439057806 500851664 /nfs/dbraw/zinc/85/16/64/500851664.db2.gz KUZOHOIUJQRKLD-UHFFFAOYSA-N -1 3 374.440 3.273 20 0 FGADHM O=C(Cc1ccc([O-])c(F)c1)N1CCC(C(=O)Nc2cccc(F)c2)CC1 ZINC000448853225 500852466 /nfs/dbraw/zinc/85/24/66/500852466.db2.gz ODYYAZYGOMYISZ-UHFFFAOYSA-N -1 3 374.387 3.090 20 0 FGADHM COc1ccc(C(C)(C)CNC(=O)Cc2ccc([O-])c(F)c2)cc1OC ZINC000448922724 500870277 /nfs/dbraw/zinc/87/02/77/500870277.db2.gz ROCQFTVCDSMKAK-UHFFFAOYSA-N -1 3 361.413 3.185 20 0 FGADHM CCC[C@H]1CCC[C@H]1C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000448980628 500885792 /nfs/dbraw/zinc/88/57/92/500885792.db2.gz BRSHPDNHFWEBLP-DOTOQJQBSA-N -1 3 358.482 3.329 20 0 FGADHM CSc1ccc([C@H](C)NC(=O)N=c2cc(OC(F)F)n(C)[n-]2)cc1 ZINC000439384171 500891454 /nfs/dbraw/zinc/89/14/54/500891454.db2.gz UIDBTINTPGPGNM-VIFPVBQESA-N -1 3 356.398 3.048 20 0 FGADHM O=S(=O)([N-]C[C@H]1CCCCN1C1CC1)c1cc(Cl)sc1Cl ZINC000434771812 500891986 /nfs/dbraw/zinc/89/19/86/500891986.db2.gz DYGFRWGXNBNRQT-SNVBAGLBSA-N -1 3 369.339 3.350 20 0 FGADHM Cc1cc(C(=O)N[C@@H](c2ccc(F)c(Cl)c2)C(F)(F)F)[n-]c(=O)n1 ZINC000444762775 500894154 /nfs/dbraw/zinc/89/41/54/500894154.db2.gz SIZNLZHVMJQSRH-NSHDSACASA-N -1 3 363.698 3.317 20 0 FGADHM CCN=c1[n-]c(C(=O)N2C[C@@H](c3cccc(Cl)c3)OC[C@@H]2C)cs1 ZINC000444846586 500910631 /nfs/dbraw/zinc/91/06/31/500910631.db2.gz JPVOTRFMDPMFFW-NHYWBVRUSA-N -1 3 365.886 3.252 20 0 FGADHM C[C@@H](c1ccc2c(c1)CCC2)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000445247842 500960222 /nfs/dbraw/zinc/96/02/22/500960222.db2.gz IYHDTIQDTRBHED-INIZCTEOSA-N -1 3 350.462 3.400 20 0 FGADHM C[C@H](CN1CCC[C@H](C)C1)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000440074987 500972632 /nfs/dbraw/zinc/97/26/32/500972632.db2.gz GWFYZENXRBCITG-VHSXEESVSA-N -1 3 371.355 3.454 20 0 FGADHM CCOc1ccc([C@@H]2C[C@H]2[N-]S(=O)(=O)c2ccc(F)cc2F)cc1 ZINC000435426499 500972705 /nfs/dbraw/zinc/97/27/05/500972705.db2.gz ILEKHCSFEMHIEI-GOEBONIOSA-N -1 3 353.390 3.198 20 0 FGADHM COc1ncccc1C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000435431099 500973754 /nfs/dbraw/zinc/97/37/54/500973754.db2.gz GUJKBQUHYJRRNQ-UHFFFAOYSA-N -1 3 365.213 3.015 20 0 FGADHM CCc1ccc(NC(=O)Cc2noc(-c3cccc(OC)c3[O-])n2)cc1 ZINC000445324409 500973988 /nfs/dbraw/zinc/97/39/88/500973988.db2.gz WCQBQXFVPMKEHI-UHFFFAOYSA-N -1 3 353.378 3.194 20 0 FGADHM CC1(C)Cc2cc(S(=O)(=O)[N-]c3cccc(-n4cccn4)c3)ccc2O1 ZINC000440277408 500993955 /nfs/dbraw/zinc/99/39/55/500993955.db2.gz PGWXTAZOLOOQLN-UHFFFAOYSA-N -1 3 369.446 3.387 20 0 FGADHM COc1ccc(O[C@@H](C)C[N-]S(=O)(=O)c2cc(C)c(F)cc2F)cc1 ZINC000440400021 501005235 /nfs/dbraw/zinc/00/52/35/501005235.db2.gz UMYHQMNUUXRCET-LBPRGKRZSA-N -1 3 371.405 3.028 20 0 FGADHM O=C(C[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21)Nc1ccccc1 ZINC000440403979 501005555 /nfs/dbraw/zinc/00/55/55/501005555.db2.gz SWYMORGXUJYXNP-UHFFFAOYSA-N -1 3 374.849 3.410 20 0 FGADHM COC(=O)c1c(C2CC2)csc1[N-]C(=O)C(=O)N1CCCCC[C@H]1C ZINC000440418187 501007051 /nfs/dbraw/zinc/00/70/51/501007051.db2.gz RXTKCGWYAPYEJU-LLVKDONJSA-N -1 3 364.467 3.142 20 0 FGADHM O=C(N=c1cc(-c2ccccc2)[n-][nH]1)c1ccccc1OC[C@H]1CCCO1 ZINC000435676145 501009344 /nfs/dbraw/zinc/00/93/44/501009344.db2.gz ZIXHIRGRIRTJCP-MRXNPFEDSA-N -1 3 363.417 3.309 20 0 FGADHM Cc1cccc(O[C@H]2CCCC[C@H]2NC(=O)c2ccc3n[n-]nc3c2)c1 ZINC000435724208 501018223 /nfs/dbraw/zinc/01/82/23/501018223.db2.gz WSWVUGYUIHYXSW-MJGOQNOKSA-N -1 3 350.422 3.386 20 0 FGADHM COc1ccc(CN[C@H](C(=O)OC(C)C)C(C)C)c(Br)c1[O-] ZINC000449506057 501020211 /nfs/dbraw/zinc/02/02/11/501020211.db2.gz KKZRNJPPKPXZIL-AWEZNQCLSA-N -1 3 374.275 3.229 20 0 FGADHM Cc1cccc(CNC(=O)Cc2noc(Cc3ccc([O-])cc3Cl)n2)c1 ZINC000445723799 501024276 /nfs/dbraw/zinc/02/42/76/501024276.db2.gz LUMFBRONYXQLSM-UHFFFAOYSA-N -1 3 371.824 3.187 20 0 FGADHM CCSCCCc1noc([C@@H](C)[N-]S(=O)(=O)c2ccc(C)cc2)n1 ZINC000445759711 501029345 /nfs/dbraw/zinc/02/93/45/501029345.db2.gz UGAABTNVYNYFKB-CYBMUJFWSA-N -1 3 369.512 3.103 20 0 FGADHM Nc1ccc2c(c1)CCC[C@H]2[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000440841162 501055566 /nfs/dbraw/zinc/05/55/66/501055566.db2.gz BZMHGGMIWKFVCF-CQSZACIVSA-N -1 3 371.384 3.039 20 0 FGADHM COc1nnc(NC(=O)c2c(C)onc2-c2ccc(Cl)c(Cl)c2)[n-]1 ZINC000436150913 501078835 /nfs/dbraw/zinc/07/88/35/501078835.db2.gz KRBSTWUTCQIUMI-UHFFFAOYSA-N -1 3 368.180 3.336 20 0 FGADHM COc1n[n-]c(NC(=O)c2c(C)onc2-c2ccc(Cl)c(Cl)c2)n1 ZINC000436150913 501078839 /nfs/dbraw/zinc/07/88/39/501078839.db2.gz KRBSTWUTCQIUMI-UHFFFAOYSA-N -1 3 368.180 3.336 20 0 FGADHM COc1nc(NC(=O)c2c(C)onc2-c2ccc(Cl)c(Cl)c2)n[n-]1 ZINC000436150913 501078843 /nfs/dbraw/zinc/07/88/43/501078843.db2.gz KRBSTWUTCQIUMI-UHFFFAOYSA-N -1 3 368.180 3.336 20 0 FGADHM COCc1nc(C(=O)[N-]c2cc(OC)ncn2)c(-c2ccccc2)s1 ZINC000441053912 501080649 /nfs/dbraw/zinc/08/06/49/501080649.db2.gz BHNBTOBZWPEFNG-UHFFFAOYSA-N -1 3 356.407 3.007 20 0 FGADHM CCOc1nc2cc(C(=O)NC[C@@H](c3ccsc3)N(C)C)ccc2[n-]1 ZINC000449800760 501090849 /nfs/dbraw/zinc/09/08/49/501090849.db2.gz FKPYWISWYVXKCH-INIZCTEOSA-N -1 3 358.467 3.056 20 0 FGADHM CCC[C@@H](CC(C)C)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1[O-] ZINC000449808753 501093183 /nfs/dbraw/zinc/09/31/83/501093183.db2.gz BLTZKBCTBJBFDV-AWEZNQCLSA-N -1 3 368.499 3.333 20 0 FGADHM COC(=O)CCCOc1ccc(CN=c2[n-]c(C(C)=O)c(C)s2)cc1 ZINC000450331332 501093318 /nfs/dbraw/zinc/09/33/18/501093318.db2.gz LAWCAWGQOFROEN-UHFFFAOYSA-N -1 3 362.451 3.020 20 0 FGADHM COC(=O)[C@H]1CC12CCN(C(=O)CCc1ccc3ccccc3c1[O-])CC2 ZINC000449864013 501111240 /nfs/dbraw/zinc/11/12/40/501111240.db2.gz KXYWHLWZOCUHER-GOSISDBHSA-N -1 3 367.445 3.280 20 0 FGADHM CCOC(=O)c1ccc(NC(=O)[C@@H]2CCN(c3ccccc3)C2)c([O-])c1 ZINC000449876016 501115220 /nfs/dbraw/zinc/11/52/20/501115220.db2.gz GPPJXWKYLLGRTG-OAHLLOKOSA-N -1 3 354.406 3.034 20 0 FGADHM O=C(Cc1ccc([O-])c(F)c1)Nc1ccc(O[C@@H]2CCCC[C@@H]2O)cc1 ZINC000449932667 501129525 /nfs/dbraw/zinc/12/95/25/501129525.db2.gz VVKFOFLMVOVWQK-RBUKOAKNSA-N -1 3 359.397 3.395 20 0 FGADHM CCOc1nc2cc(C(=O)NC[C@H]3CCO[C@@H]3c3ccccc3)ccc2[n-]1 ZINC000449938494 501131366 /nfs/dbraw/zinc/13/13/66/501131366.db2.gz JJFYXAUTMWZNGN-VQIMIIECSA-N -1 3 365.433 3.469 20 0 FGADHM CCOc1nc2ccc(C(=O)NC[C@H]3CCO[C@@H]3c3ccccc3)cc2[n-]1 ZINC000449938494 501131369 /nfs/dbraw/zinc/13/13/69/501131369.db2.gz JJFYXAUTMWZNGN-VQIMIIECSA-N -1 3 365.433 3.469 20 0 FGADHM CCc1c([N-]C(=O)[C@H]2Oc3ccccc3O[C@H]2C)onc1C(F)(F)F ZINC000582461827 506235856 /nfs/dbraw/zinc/23/58/56/506235856.db2.gz UDCHXUFNSXFXLY-UFBFGSQYSA-N -1 3 356.300 3.423 20 0 FGADHM Cc1ccc(C(=O)NCc2cc(Cl)ccc2N2CCOCC2)c([O-])c1 ZINC000436482715 501136408 /nfs/dbraw/zinc/13/64/08/501136408.db2.gz AWHNBTCZOPXRGN-UHFFFAOYSA-N -1 3 360.841 3.121 20 0 FGADHM COCCN(CCCOc1ccc(F)cc1)C(=O)c1cccc(C)c1[O-] ZINC000436487832 501136925 /nfs/dbraw/zinc/13/69/25/501136925.db2.gz LEJGHQCYPSOACM-UHFFFAOYSA-N -1 3 361.413 3.397 20 0 FGADHM Cc1ccc(C(=O)NCc2cccc(CN3CCO[C@@H](C)C3)c2)c([O-])c1C ZINC000436486039 501137144 /nfs/dbraw/zinc/13/71/44/501137144.db2.gz MMIYVSYGLXZRGA-INIZCTEOSA-N -1 3 368.477 3.160 20 0 FGADHM CC1(C)Cc2ccc(C(=O)Nc3c[nH]nc3-c3nccs3)c([O-])c2O1 ZINC000446593184 501139016 /nfs/dbraw/zinc/13/90/16/501139016.db2.gz NNHLSSZVEHLMJR-UHFFFAOYSA-N -1 3 356.407 3.205 20 0 FGADHM Cc1ccc(C(=O)N[C@@H](c2nc(-c3ccncc3)no2)C(C)C)c([O-])c1 ZINC000436510381 501144219 /nfs/dbraw/zinc/14/42/19/501144219.db2.gz FYMMAMFLWSAGKH-MRXNPFEDSA-N -1 3 352.394 3.273 20 0 FGADHM O=C(Cc1ccc([O-])c(F)c1)N1CCC[C@@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000449985382 501145976 /nfs/dbraw/zinc/14/59/76/501145976.db2.gz MAAKFLAEGBCDES-LLVKDONJSA-N -1 3 371.334 3.222 20 0 FGADHM O=C(c1ccccc1[O-])N1CCC(N[C@H](Cc2ccccc2)C(F)F)CC1 ZINC000436525676 501147868 /nfs/dbraw/zinc/14/78/68/501147868.db2.gz HBEXXSUBRNTYIP-GOSISDBHSA-N -1 3 374.431 3.463 20 0 FGADHM C[C@@H]1[C@@H](C)[S@@](=O)CCN1C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436526988 501148079 /nfs/dbraw/zinc/14/80/79/501148079.db2.gz GHSWRBSHVKOICL-FBJHADKPSA-N -1 3 371.502 3.159 20 0 FGADHM CC1(C)C[C@H]1CNC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436526193 501148405 /nfs/dbraw/zinc/14/84/05/501148405.db2.gz PXJCUFDJCARTTE-PKOBYXMFSA-N -1 3 366.461 3.416 20 0 FGADHM CC(C)n1ncc2c1C[C@H](NC(=O)c1cc3c(cc1[O-])CCCC3)CC2 ZINC000436527149 501148432 /nfs/dbraw/zinc/14/84/32/501148432.db2.gz CKOFZGJUBRSHON-QGZVFWFLSA-N -1 3 353.466 3.336 20 0 FGADHM CCCS(=O)(=O)Nc1cccc(NC(=O)c2ccc(C)c(C)c2[O-])c1 ZINC000436528611 501149119 /nfs/dbraw/zinc/14/91/19/501149119.db2.gz MCZOLXADWNSPRA-UHFFFAOYSA-N -1 3 362.451 3.413 20 0 FGADHM CCC1CCC(CNC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])CC1 ZINC000436538338 501150778 /nfs/dbraw/zinc/15/07/78/501150778.db2.gz QKQPGDCTNAKBEX-LEOMRAHMSA-N -1 3 358.482 3.329 20 0 FGADHM CC(C)c1ccc(C(=O)N[C@H]2CCN(Cc3ccccc3)C2=O)c([O-])c1 ZINC000436538749 501151293 /nfs/dbraw/zinc/15/12/93/501151293.db2.gz JWGHYZKUEFECHB-SFHVURJKSA-N -1 3 352.434 3.047 20 0 FGADHM C[C@]1(F)CCN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000436540325 501151377 /nfs/dbraw/zinc/15/13/77/501151377.db2.gz YGQGAZHROMTIKJ-RXVVDRJESA-N -1 3 370.424 3.214 20 0 FGADHM COCCCN(Cc1ccncc1)C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436543782 501152683 /nfs/dbraw/zinc/15/26/83/501152683.db2.gz JKGDWQUSNMBWBO-UHFFFAOYSA-N -1 3 354.450 3.345 20 0 FGADHM CC[C@@H](NC(=O)c1cc2c(cc1[O-])CCCC2)c1nnc2n1CCCCC2 ZINC000436545081 501152728 /nfs/dbraw/zinc/15/27/28/501152728.db2.gz QLBLOITVOBWKEZ-QGZVFWFLSA-N -1 3 368.481 3.470 20 0 FGADHM COC1CCN(C(C)(C)CNC(=O)c2ccc3ccccc3c2[O-])CC1 ZINC000436546193 501153289 /nfs/dbraw/zinc/15/32/89/501153289.db2.gz PNLBHHUGMHACTQ-UHFFFAOYSA-N -1 3 356.466 3.165 20 0 FGADHM CCOC(=O)CN(C(=O)c1cc(OCc2ccccc2)ccc1[O-])C1CC1 ZINC000436548562 501153969 /nfs/dbraw/zinc/15/39/69/501153969.db2.gz NECFZIZGBVHWRH-UHFFFAOYSA-N -1 3 369.417 3.139 20 0 FGADHM CCS(=O)(=O)C[C@H](C)NC(=O)c1cc(C(C)C)cc(C(C)C)c1[O-] ZINC000436549672 501154447 /nfs/dbraw/zinc/15/44/47/501154447.db2.gz VCTVMEWLJCIRIC-ZDUSSCGKSA-N -1 3 355.500 3.192 20 0 FGADHM O=C(c1ccc(Br)cc1[O-])N1CCCN(CC2CCC2)CC1 ZINC000436552029 501155190 /nfs/dbraw/zinc/15/51/90/501155190.db2.gz BEPXXCAYTIOGCM-UHFFFAOYSA-N -1 3 367.287 3.103 20 0 FGADHM CC[C@@H](C)NC(=O)CCNC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436554734 501156267 /nfs/dbraw/zinc/15/62/67/501156267.db2.gz ILDQRAZXFNDOPL-CQSZACIVSA-N -1 3 356.422 3.219 20 0 FGADHM CC(C)CCNC(=O)[C@H]1CSCN1C(=O)c1ccc(C(C)C)cc1[O-] ZINC000436569367 501159146 /nfs/dbraw/zinc/15/91/46/501159146.db2.gz CYPTVKBYXNHRDO-MRXNPFEDSA-N -1 3 364.511 3.193 20 0 FGADHM COc1cc(C)cc(C(=O)Nc2cc(-c3n[nH]c(C)n3)ccc2C)c1[O-] ZINC000436571726 501159708 /nfs/dbraw/zinc/15/97/08/501159708.db2.gz CBDKWLGTEQBRDI-UHFFFAOYSA-N -1 3 352.394 3.363 20 0 FGADHM COCCCOC1CN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])C1 ZINC000436576410 501161582 /nfs/dbraw/zinc/16/15/82/501161582.db2.gz QLKFECLDLXRFHJ-UHFFFAOYSA-N -1 3 369.461 3.055 20 0 FGADHM COc1cc(OC)cc(OCCCN(C)C(=O)c2cc(C)ccc2[O-])c1 ZINC000436582780 501162581 /nfs/dbraw/zinc/16/25/81/501162581.db2.gz BRZZAWRTUCQHJA-UHFFFAOYSA-N -1 3 359.422 3.259 20 0 FGADHM C[C@@H](O)C[C@H](CNC(=O)c1ccc2c(c1[O-])OC(C)(C)C2)c1ccccc1 ZINC000436583455 501163223 /nfs/dbraw/zinc/16/32/23/501163223.db2.gz HBLOVYRSRDVBAK-RHSMWYFYSA-N -1 3 369.461 3.390 20 0 FGADHM COc1ccc(C(=O)N[C@@H](c2ccc3c(c2)OCCO3)C2CC2)c([O-])c1 ZINC000436591161 501164720 /nfs/dbraw/zinc/16/47/20/501164720.db2.gz VMPMLTSVHVNFKF-LJQANCHMSA-N -1 3 355.390 3.053 20 0 FGADHM CC(=O)c1ccc(C(=O)NCc2cc(Br)cs2)cc1[O-] ZINC000436594941 501165945 /nfs/dbraw/zinc/16/59/45/501165945.db2.gz KMCAHDWIWQXKHL-UHFFFAOYSA-N -1 3 354.225 3.349 20 0 FGADHM CC[C@H](C)n1ncc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])c1C ZINC000436596697 501166648 /nfs/dbraw/zinc/16/66/48/501166648.db2.gz ROBYFDCABYQXNV-GUYCJALGSA-N -1 3 370.453 3.111 20 0 FGADHM C[C@@H]1CCC[C@H](CNC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])[C@@H]1C ZINC000436600079 501166677 /nfs/dbraw/zinc/16/66/77/501166677.db2.gz ZSBJMQFIIUCMFA-KONPQCLYSA-N -1 3 358.482 3.185 20 0 FGADHM CCCC[C@@H]1CCC[C@@H]1NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436605343 501168625 /nfs/dbraw/zinc/16/86/25/501168625.db2.gz CBHDPVNCHGZLMX-APWZRJJASA-N -1 3 373.497 3.219 20 0 FGADHM Cn1c2ccc(F)cc2nc1[N-]S(=O)(=O)Cc1ccc(F)c(Cl)c1 ZINC000446823126 501169044 /nfs/dbraw/zinc/16/90/44/501169044.db2.gz IXVOUDWPGWNWSM-UHFFFAOYSA-N -1 3 371.796 3.447 20 0 FGADHM O=C(Nc1nc2ccsc2s1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436616286 501170602 /nfs/dbraw/zinc/17/06/02/501170602.db2.gz DMYMLCNFOFAQFC-LBPRGKRZSA-N -1 3 373.459 3.307 20 0 FGADHM COc1ccc(CCN(CC(C)C)C(=O)c2ccc(O)cc2[O-])cc1OC ZINC000436627952 501172707 /nfs/dbraw/zinc/17/27/07/501172707.db2.gz WDJPREYVGAINJS-UHFFFAOYSA-N -1 3 373.449 3.456 20 0 FGADHM CC(=O)c1ccc(C(=O)N2CCC[C@@H]2c2nc3ccccc3n2C)cc1[O-] ZINC000436632259 501173973 /nfs/dbraw/zinc/17/39/73/501173973.db2.gz WCRNQCPJFOXZJC-GOSISDBHSA-N -1 3 363.417 3.459 20 0 FGADHM COc1ccc([C@H]2CCCN2C(=O)c2ccc([O-])c(OC)c2)cc1OC ZINC000436632837 501174803 /nfs/dbraw/zinc/17/48/03/501174803.db2.gz CYAUNKRXAYBZGM-OAHLLOKOSA-N -1 3 357.406 3.395 20 0 FGADHM CC[C@H](NC(=O)c1ccccc1[O-])[C@H](c1ccc(C)cc1)n1cncn1 ZINC000436646150 501178240 /nfs/dbraw/zinc/17/82/40/501178240.db2.gz GEALPQIXGPHGAF-HKUYNNGSSA-N -1 3 350.422 3.090 20 0 FGADHM CC[C@@H](NC(=O)c1cc(C)ccc1[O-])[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000436650926 501178951 /nfs/dbraw/zinc/17/89/51/501178951.db2.gz SOXCGPBHWOCIKU-UYAOXDASSA-N -1 3 364.449 3.399 20 0 FGADHM Cc1cc(-c2noc([C@@H](C)NC(=O)c3c([O-])cccc3O)n2)ccc1F ZINC000436650430 501179285 /nfs/dbraw/zinc/17/92/85/501179285.db2.gz ZZBQKGJQUCDMDE-SNVBAGLBSA-N -1 3 357.341 3.086 20 0 FGADHM CC[C@@H](NC(=O)c1ccc(C)cc1[O-])[C@H](c1ccc(C)cc1)n1cncn1 ZINC000436651245 501180095 /nfs/dbraw/zinc/18/00/95/501180095.db2.gz UQYHNEHWYFEHFR-QUCCMNQESA-N -1 3 364.449 3.399 20 0 FGADHM CCOc1nc2cc(C(=O)N(C)[C@@H](C)Cc3ccc(O)cc3)ccc2[n-]1 ZINC000450107131 501182356 /nfs/dbraw/zinc/18/23/56/501182356.db2.gz WBUWXHCDWPCFPO-ZDUSSCGKSA-N -1 3 353.422 3.370 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N(Cc2ccccc2F)C2CC2)c([O-])c1 ZINC000436664837 501182314 /nfs/dbraw/zinc/18/23/14/501182314.db2.gz MFLYYLOJSQWJMW-UHFFFAOYSA-N -1 3 370.424 3.151 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N[C@@H]2CCc3c2cccc3Cl)c([O-])c1 ZINC000436664074 501182721 /nfs/dbraw/zinc/18/27/21/501182721.db2.gz NYKRMMHWOPINHS-QGZVFWFLSA-N -1 3 372.852 3.278 20 0 FGADHM CCO[C@H]1C[C@@H](NC(=O)c2cc(OC)c([O-])c(OC)c2)C12CCCCC2 ZINC000436667053 501183433 /nfs/dbraw/zinc/18/34/33/501183433.db2.gz WLGHYIDRNXEGKV-SJORKVTESA-N -1 3 363.454 3.267 20 0 FGADHM C[C@H]1CN(C(C)(C)CNC(=O)c2ccc3ccccc3c2[O-])C[C@H](C)O1 ZINC000436672843 501184750 /nfs/dbraw/zinc/18/47/50/501184750.db2.gz CTMNZSYCLOPUDZ-GJZGRUSLSA-N -1 3 356.466 3.163 20 0 FGADHM CN(CCOc1ccccc1F)C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436682410 501186884 /nfs/dbraw/zinc/18/68/84/501186884.db2.gz PTSJRCPPGWQEEE-UHFFFAOYSA-N -1 3 359.397 3.396 20 0 FGADHM CCc1ccc(NC(=O)C(=O)N=c2cc(-c3ccccc3C)[n-][nH]2)cc1F ZINC000436690641 501190123 /nfs/dbraw/zinc/19/01/23/501190123.db2.gz IACUJVPNOLFFAC-UHFFFAOYSA-N -1 3 366.396 3.086 20 0 FGADHM CC(C)(C)C(=O)N1CCN(C(=O)c2cc3c(cc2[O-])CCCC3)C(C)(C)C1 ZINC000436696180 501190624 /nfs/dbraw/zinc/19/06/24/501190624.db2.gz HIJFVUDGLJGCSF-UHFFFAOYSA-N -1 3 372.509 3.380 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N[C@H](C)c2cccc(Cl)c2)c([O-])c1 ZINC000436702368 501191323 /nfs/dbraw/zinc/19/13/23/501191323.db2.gz AGGXLYKCPZYEFH-CYBMUJFWSA-N -1 3 360.841 3.351 20 0 FGADHM CCOc1ccc(C2(CNC(=O)c3ccccc3[O-])CCOCC2)cc1 ZINC000436706887 501192997 /nfs/dbraw/zinc/19/29/97/501192997.db2.gz DSESVNXVGDPVIU-UHFFFAOYSA-N -1 3 355.434 3.269 20 0 FGADHM CC(C)c1ccc(C(=O)NC2CCN(Cc3cccnc3)CC2)c([O-])c1 ZINC000436706515 501193254 /nfs/dbraw/zinc/19/32/54/501193254.db2.gz RGMRCZFOPIKJQI-UHFFFAOYSA-N -1 3 353.466 3.305 20 0 FGADHM CCOC(=O)[C@](C)(CNC(=O)c1ccc([O-])c(CC)c1)c1ccccc1 ZINC000436706762 501193259 /nfs/dbraw/zinc/19/32/59/501193259.db2.gz NLFKZVDZXYLARB-OAQYLSRUSA-N -1 3 355.434 3.205 20 0 FGADHM CCOC(=O)c1cc(COC)cc(NC(=O)c2cc(C)cc(OC)c2[O-])c1 ZINC000436724564 501198104 /nfs/dbraw/zinc/19/81/04/501198104.db2.gz OCQWHVLMPHTFRU-UHFFFAOYSA-N -1 3 373.405 3.285 20 0 FGADHM CC(C)c1ccc(C(=O)N[C@H]2CCN(C(=O)Cc3ccccc3)C2)c([O-])c1 ZINC000436728081 501198621 /nfs/dbraw/zinc/19/86/21/501198621.db2.gz HPDNLYYOKIJABQ-SFHVURJKSA-N -1 3 366.461 3.089 20 0 FGADHM Cc1ccc(C(=O)NCCc2cnc(SC3CCCC3)nc2)c([O-])c1 ZINC000436730700 501199114 /nfs/dbraw/zinc/19/91/14/501199114.db2.gz XWHRXAPSYJVJRV-UHFFFAOYSA-N -1 3 357.479 3.498 20 0 FGADHM CC(C)c1ccc(C(=O)NCc2ccncc2OC[C@@H]2CCOC2)c([O-])c1 ZINC000436737127 501200725 /nfs/dbraw/zinc/20/07/25/501200725.db2.gz IJAWKDZMVONDPK-OAHLLOKOSA-N -1 3 370.449 3.256 20 0 FGADHM O=C(NCc1nc2cccnc2[nH]1)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436736568 501200737 /nfs/dbraw/zinc/20/07/37/501200737.db2.gz JEAFHRYLIURRKB-UHFFFAOYSA-N -1 3 372.428 3.379 20 0 FGADHM CCN(CC)CC(=O)Nc1cccc(NC(=O)c2ccc(C)cc2[O-])c1 ZINC000436738117 501201741 /nfs/dbraw/zinc/20/17/41/501201741.db2.gz KKYDHJBQCYJQEE-UHFFFAOYSA-N -1 3 355.438 3.233 20 0 FGADHM O=C1CCCN1c1ccc(OCc2nc(-c3ccc([O-])cc3)no2)cc1 ZINC000436765226 501207443 /nfs/dbraw/zinc/20/74/43/501207443.db2.gz AIFGKLWJLUNDFB-UHFFFAOYSA-N -1 3 351.362 3.148 20 0 FGADHM CCN(CCN1CCCCCC1)C(=O)c1ccc(Br)cc1[O-] ZINC000436796354 501212670 /nfs/dbraw/zinc/21/26/70/501212670.db2.gz JKYSHDGLEWZXGP-UHFFFAOYSA-N -1 3 369.303 3.493 20 0 FGADHM Cc1ccc(CN(CCO)C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)cc1 ZINC000436799552 501213087 /nfs/dbraw/zinc/21/30/87/501213087.db2.gz DNPMEDIMPOGBTR-UHFFFAOYSA-N -1 3 355.434 3.049 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)NC[C@@H]2CCCCC(F)(F)C2)c([O-])c1 ZINC000436805203 501213757 /nfs/dbraw/zinc/21/37/57/501213757.db2.gz XJABJUCIFPAFEB-CQSZACIVSA-N -1 3 368.424 3.152 20 0 FGADHM CCc1ccc([O-])c(C(=O)NCc2cccc(C(=O)N[C@@H](C)CC)c2)c1 ZINC000436809069 501214717 /nfs/dbraw/zinc/21/47/17/501214717.db2.gz RPVSVKSAZJNVMM-AWEZNQCLSA-N -1 3 354.450 3.413 20 0 FGADHM COc1cccc(C(=O)NCCOc2ccccc2C(F)(F)F)c1[O-] ZINC000436814085 501215269 /nfs/dbraw/zinc/21/52/69/501215269.db2.gz QXFKUNWSOOSICX-UHFFFAOYSA-N -1 3 355.312 3.228 20 0 FGADHM COc1ccc(-c2cc(C(=O)Nc3cc(F)ccc3[O-])n[nH]2)cc1OC ZINC000436813590 501215349 /nfs/dbraw/zinc/21/53/49/501215349.db2.gz PKXJGZSXIQIAJY-UHFFFAOYSA-N -1 3 357.341 3.191 20 0 FGADHM CCc1ccc(C(=O)NCc2ccc(C(=O)N(CC)CC)cc2)c([O-])c1 ZINC000436821978 501216609 /nfs/dbraw/zinc/21/66/09/501216609.db2.gz ZBFAPTJGQLKAFC-UHFFFAOYSA-N -1 3 354.450 3.367 20 0 FGADHM CCc1ccc(C(=O)N2CCN(Cc3cccc(Cl)c3)C(=O)C2)c([O-])c1 ZINC000436826592 501217124 /nfs/dbraw/zinc/21/71/24/501217124.db2.gz ASMDLLBCBFOGIO-UHFFFAOYSA-N -1 3 372.852 3.093 20 0 FGADHM O=C(NC1(C(=O)Nc2ccccc2)CC1)c1ccc2c(c1[O-])CCCC2 ZINC000436837916 501219149 /nfs/dbraw/zinc/21/91/49/501219149.db2.gz IUAMEAMKMYXDKE-UHFFFAOYSA-N -1 3 350.418 3.172 20 0 FGADHM COCc1cc(CNC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)ccc1F ZINC000436862381 501222880 /nfs/dbraw/zinc/22/28/80/501222880.db2.gz YMYUHRJJZBWGHS-UHFFFAOYSA-N -1 3 359.397 3.321 20 0 FGADHM COC(=O)[C@H]1CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])[C@@H]1C ZINC000436866895 501223989 /nfs/dbraw/zinc/22/39/89/501223989.db2.gz ZMAIDSQVLWEFPA-CJNGLKHVSA-N -1 3 355.390 3.208 20 0 FGADHM CO[C@H](CS(=O)(=O)[N-]c1ccc2c(c1)OC(C)(C)O2)c1ccccc1 ZINC000450980888 501236766 /nfs/dbraw/zinc/23/67/66/501236766.db2.gz GYUVGMYFNDDTBS-QGZVFWFLSA-N -1 3 363.435 3.323 20 0 FGADHM CC(C)(C)N1CCC([N-]S(=O)(=O)c2cc3cc(F)ccc3o2)CC1 ZINC000451086627 501244437 /nfs/dbraw/zinc/24/44/37/501244437.db2.gz NEXGKKLXTVFPSK-UHFFFAOYSA-N -1 3 354.447 3.113 20 0 FGADHM CCO[C@H]1C[C@](O)(CNC(=O)CCc2ccc3ccccc3c2[O-])C1(C)C ZINC000451115128 501246632 /nfs/dbraw/zinc/24/66/32/501246632.db2.gz NJHUETVBCRLIJK-AVRDEDQJSA-N -1 3 371.477 3.160 20 0 FGADHM CCOC(=O)c1cnc(NC(=O)CCc2ccc3ccccc3c2[O-])n1C ZINC000451124488 501247174 /nfs/dbraw/zinc/24/71/74/501247174.db2.gz ISCRCKJRRQIAOS-UHFFFAOYSA-N -1 3 367.405 3.027 20 0 FGADHM CCOc1ccncc1S(=O)(=O)[N-]C1(c2ccc(Cl)cc2)CC1 ZINC000451198588 501251608 /nfs/dbraw/zinc/25/16/08/501251608.db2.gz PJOOKSMBLPMUKL-UHFFFAOYSA-N -1 3 352.843 3.101 20 0 FGADHM CCOc1ccncc1S(=O)(=O)[N-][C@@H](C)c1ccc(F)cc1Cl ZINC000451214125 501252663 /nfs/dbraw/zinc/25/26/63/501252663.db2.gz GVSISKZYMFMFKL-JTQLQIEISA-N -1 3 358.822 3.312 20 0 FGADHM CCOc1ccncc1S(=O)(=O)[N-][C@@H](CC)c1ccc(F)cc1F ZINC000451217205 501252976 /nfs/dbraw/zinc/25/29/76/501252976.db2.gz OUSOOIBIKPYHTE-AWEZNQCLSA-N -1 3 356.394 3.188 20 0 FGADHM CCC1(C[N-]S(=O)(=O)c2ccc3ccccc3c2F)CCOCC1 ZINC000451270633 501256644 /nfs/dbraw/zinc/25/66/44/501256644.db2.gz JAOOZSVHSFLBGO-UHFFFAOYSA-N -1 3 351.443 3.464 20 0 FGADHM CO[C@H](C)c1nc(C[N-]S(=O)(=O)C[C@H]2CCCCC2(F)F)cs1 ZINC000451310047 501262284 /nfs/dbraw/zinc/26/22/84/501262284.db2.gz XHJHSWXJDDNCGD-GHMZBOCLSA-N -1 3 368.471 3.095 20 0 FGADHM COc1cc2c(cc1C[N-]S(=O)(=O)c1sccc1Cl)O[C@@H](C)C2 ZINC000451338288 501269306 /nfs/dbraw/zinc/26/93/06/501269306.db2.gz HADRJEQSXDMQJE-VIFPVBQESA-N -1 3 373.883 3.212 20 0 FGADHM Cc1ccc(CN(CCO)C(=O)CCc2ccc3ccccc3c2[O-])o1 ZINC000451374434 501278161 /nfs/dbraw/zinc/27/81/61/501278161.db2.gz IQTNAJSUIWDBSV-UHFFFAOYSA-N -1 3 353.418 3.401 20 0 FGADHM O=C1C[C@@H](c2noc(Cc3ccc([O-])c(F)c3)n2)CN1Cc1ccccc1 ZINC000453153450 501280214 /nfs/dbraw/zinc/28/02/14/501280214.db2.gz CXYVOZRTKYLWEV-OAHLLOKOSA-N -1 3 367.380 3.021 20 0 FGADHM CCC[C@H](NC(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C)c1)C(C)(C)C ZINC000455404453 501293556 /nfs/dbraw/zinc/29/35/56/501293556.db2.gz PCDSDHSXXGUBSJ-AWEZNQCLSA-N -1 3 359.467 3.070 20 0 FGADHM COc1cc(-c2nc([C@H](Cc3ccccc3)OC)no2)cc(OC)c1[O-] ZINC000453235193 501295898 /nfs/dbraw/zinc/29/58/98/501295898.db2.gz TYIKDFQTLGNONF-INIZCTEOSA-N -1 3 356.378 3.390 20 0 FGADHM Cc1nnnn1-c1ccc(C(=O)Nc2ccc(C(C)(C)C)cc2[O-])c(F)c1 ZINC000451475680 501300836 /nfs/dbraw/zinc/30/08/36/501300836.db2.gz CVZIVRZTEDVCQM-UHFFFAOYSA-N -1 3 369.400 3.365 20 0 FGADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]CCC(C)(F)F ZINC000451612517 501336549 /nfs/dbraw/zinc/33/65/49/501336549.db2.gz KWMHNRACKFMRNZ-UHFFFAOYSA-N -1 3 363.407 3.012 20 0 FGADHM C[C@H](CCCO)C[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000451682803 501349935 /nfs/dbraw/zinc/34/99/35/501349935.db2.gz AXLCPFUZJSXYDM-SECBINFHSA-N -1 3 359.797 3.046 20 0 FGADHM CCC1([N-]S(=O)(=O)c2cc(Br)cc3cccnc32)CC1 ZINC000451692922 501352560 /nfs/dbraw/zinc/35/25/60/501352560.db2.gz WCQQMGFYBHHDCX-UHFFFAOYSA-N -1 3 355.257 3.218 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)c1cc(C(C)C)ccc1Cl)[C@@H](O)C(F)F ZINC000451703571 501355970 /nfs/dbraw/zinc/35/59/70/501355970.db2.gz FJPSCKWVCGIMLV-WCQYABFASA-N -1 3 355.834 3.146 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)c1csc2ccc(Cl)cc21)[C@H](O)C(F)F ZINC000451706356 501356800 /nfs/dbraw/zinc/35/68/00/501356800.db2.gz GDTVXZBHOLQJBI-CABZTGNLSA-N -1 3 369.842 3.238 20 0 FGADHM CN(C(=O)c1cnc2c(cnn2C)c1[O-])[C@@H]1CCC[C@H]1c1ccccc1 ZINC000458032204 501359787 /nfs/dbraw/zinc/35/97/87/501359787.db2.gz TWYMUBRDGVYRQL-WMLDXEAASA-N -1 3 350.422 3.082 20 0 FGADHM Cc1ncsc1CC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000451783821 501371661 /nfs/dbraw/zinc/37/16/61/501371661.db2.gz FQCYZQXRPKSGBN-UHFFFAOYSA-N -1 3 351.280 3.279 20 0 FGADHM CC[C@@](C)(C[N-]S(=O)(=O)c1cc(Cl)c(OC)cc1Cl)OC ZINC000451796707 501373555 /nfs/dbraw/zinc/37/35/55/501373555.db2.gz MTATVKVCOFQVRW-ZDUSSCGKSA-N -1 3 356.271 3.095 20 0 FGADHM O=C(NCCCNC(=O)c1cccc([O-])c1)Nc1ccc2c(c1)CCCC2 ZINC000455736164 501375589 /nfs/dbraw/zinc/37/55/89/501375589.db2.gz ULRMESVHEDHGKD-UHFFFAOYSA-N -1 3 367.449 3.213 20 0 FGADHM CO[C@@](C)(C[N-]S(=O)(=O)C[C@H]1CCCCC1(F)F)c1ccccc1 ZINC000451814984 501378202 /nfs/dbraw/zinc/37/82/02/501378202.db2.gz UZFHZOXWEPTPFZ-CVEARBPZSA-N -1 3 361.454 3.293 20 0 FGADHM COc1cc2c(cc1F)[n-]cc(C(=O)NC1CCC(C(F)F)CC1)c2=O ZINC000458140173 501378969 /nfs/dbraw/zinc/37/89/69/501378969.db2.gz BQDJZFJXEGZFQM-UHFFFAOYSA-N -1 3 368.355 3.230 20 0 FGADHM COCC1(C[N-]S(=O)(=O)c2ccccc2C(F)(F)F)CCCC1 ZINC000452043722 501423761 /nfs/dbraw/zinc/42/37/61/501423761.db2.gz FKMADVBWUZUZOE-UHFFFAOYSA-N -1 3 351.390 3.191 20 0 FGADHM CCO[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(C)c(Br)s1 ZINC000452059865 501426566 /nfs/dbraw/zinc/42/65/66/501426566.db2.gz LDFBCXUKYLTOIZ-NXEZZACHSA-N -1 3 368.318 3.055 20 0 FGADHM CC(C)(CN1CCCC1)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000452081341 501431313 /nfs/dbraw/zinc/43/13/13/501431313.db2.gz IHAKNTLRVZXAAI-UHFFFAOYSA-N -1 3 357.328 3.208 20 0 FGADHM COc1cc(C(=O)N[C@H](CCO)c2cccc(C(F)(F)F)c2)ccc1[O-] ZINC000456062029 501446640 /nfs/dbraw/zinc/44/66/40/501446640.db2.gz NQTRMJRMQOZXOV-CQSZACIVSA-N -1 3 369.339 3.273 20 0 FGADHM CCc1ccc(-n2nc(C(=O)N=c3[n-]oc(C)c3C)c3c2CCC3)cc1 ZINC000452166347 501449512 /nfs/dbraw/zinc/44/95/12/501449512.db2.gz SPTICEAJARNMOM-UHFFFAOYSA-N -1 3 350.422 3.202 20 0 FGADHM CCOc1nc2cc(C(=O)N(C)[C@@H](CO)c3ccc(Cl)cc3)ccc2[n-]1 ZINC000456081981 501450629 /nfs/dbraw/zinc/45/06/29/501450629.db2.gz SQEHLZGKPQKCSO-KRWDZBQOSA-N -1 3 373.840 3.421 20 0 FGADHM CCOc1nc2ccc(C(=O)N(C)[C@@H](CO)c3ccc(Cl)cc3)cc2[n-]1 ZINC000456081981 501450632 /nfs/dbraw/zinc/45/06/32/501450632.db2.gz SQEHLZGKPQKCSO-KRWDZBQOSA-N -1 3 373.840 3.421 20 0 FGADHM CS(=O)(=O)[N-]c1ccc(C(=O)N[C@H]2CCCc3c(F)cccc32)cc1 ZINC000452193747 501458429 /nfs/dbraw/zinc/45/84/29/501458429.db2.gz NYYYSQUJLOCMNN-KRWDZBQOSA-N -1 3 362.426 3.005 20 0 FGADHM CCCOc1c(OC)cc(CCNC(=O)c2ccc([O-])c(C)c2)cc1OC ZINC000456126024 501459613 /nfs/dbraw/zinc/45/96/13/501459613.db2.gz UXMZCEUBBWYYCF-UHFFFAOYSA-N -1 3 373.449 3.479 20 0 FGADHM O=C(CCc1ccc2ccccc2c1[O-])N1CC[C@@H]2C[C@@H](O)CC[C@H]2C1 ZINC000456308853 501493830 /nfs/dbraw/zinc/49/38/30/501493830.db2.gz PDXXGVQNAJZHTC-QYZOEREBSA-N -1 3 353.462 3.488 20 0 FGADHM CN(C(=O)NCc1nnc(C(F)(F)F)[n-]1)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000458669250 501503596 /nfs/dbraw/zinc/50/35/96/501503596.db2.gz WKLMDYXEMIIKCT-QWHCGFSZSA-N -1 3 367.375 3.301 20 0 FGADHM CN(C(=O)NCc1n[n-]c(C(F)(F)F)n1)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000458669250 501503599 /nfs/dbraw/zinc/50/35/99/501503599.db2.gz WKLMDYXEMIIKCT-QWHCGFSZSA-N -1 3 367.375 3.301 20 0 FGADHM CN(C(=O)NCc1nc(C(F)(F)F)n[n-]1)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000458669250 501503603 /nfs/dbraw/zinc/50/36/03/501503603.db2.gz WKLMDYXEMIIKCT-QWHCGFSZSA-N -1 3 367.375 3.301 20 0 FGADHM CCO[C@@H]1CCN(C(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)C[C@@H]1C ZINC000454324278 501513910 /nfs/dbraw/zinc/51/39/10/501513910.db2.gz VMAXTGCBZGJCOL-SCLBCKFNSA-N -1 3 370.453 3.436 20 0 FGADHM CC(C)c1ccc(C(=O)N2C[C@H](c3ccccc3)[C@](F)(CO)C2)c([O-])c1 ZINC000452503183 501514986 /nfs/dbraw/zinc/51/49/86/501514986.db2.gz PPKAHGPNCGNMDS-WIYYLYMNSA-N -1 3 357.425 3.456 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N2CC[C@H](C(F)(F)F)C[C@@H]2C)c([O-])c1 ZINC000452652776 501538330 /nfs/dbraw/zinc/53/83/30/501538330.db2.gz NMBGBKOIRNUKRN-STQMWFEESA-N -1 3 372.387 3.010 20 0 FGADHM CC(C)(C)O[C@@H]1C[C@H](NC(=O)c2cc([O-])ccc2Cl)[C@H]1n1cccn1 ZINC000456682312 501576043 /nfs/dbraw/zinc/57/60/43/501576043.db2.gz YOKJKKLUFXKHRT-ARFHVFGLSA-N -1 3 363.845 3.169 20 0 FGADHM CC(C)OCCOC1CCN(C(=O)CCCc2ccc([O-])c(F)c2)CC1 ZINC000456801186 501601267 /nfs/dbraw/zinc/60/12/67/501601267.db2.gz DCQFTUOQZKOMJE-UHFFFAOYSA-N -1 3 367.461 3.287 20 0 FGADHM COCC1(CNC(=O)Cc2ccc(Br)cc2[O-])CCCC1 ZINC000456864933 501612478 /nfs/dbraw/zinc/61/24/78/501612478.db2.gz FEZCRFWSXMLWAZ-UHFFFAOYSA-N -1 3 356.260 3.020 20 0 FGADHM O=C(c1cc(F)ccc1F)C1CCN(Cc2cc(=O)[n-]c(C3CC3)n2)CC1 ZINC000459304968 501627929 /nfs/dbraw/zinc/62/79/29/501627929.db2.gz PPMSCJSHMBCPKX-UHFFFAOYSA-N -1 3 373.403 3.433 20 0 FGADHM CCOc1cc(CN2CCC[C@H](C(=O)NCC3CC3)C2)cc(Cl)c1[O-] ZINC000459309754 501628930 /nfs/dbraw/zinc/62/89/30/501628930.db2.gz VRUNNASHUIYQHX-HNNXBMFYSA-N -1 3 366.889 3.183 20 0 FGADHM [O-]c1cccc(CN2CC[C@@H](CNc3ccccn3)C2)c1Br ZINC000459331492 501632892 /nfs/dbraw/zinc/63/28/92/501632892.db2.gz VIJTWGZLXFRSSC-ZDUSSCGKSA-N -1 3 362.271 3.484 20 0 FGADHM CCOc1cc(CN2CCOC[C@@H]2C2CC2)cc(Br)c1[O-] ZINC000459381465 501643550 /nfs/dbraw/zinc/64/35/50/501643550.db2.gz UYWHGUPBWLWZEN-CQSZACIVSA-N -1 3 356.260 3.164 20 0 FGADHM CC(C)[C@@H]1CCN1C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000454856649 501644423 /nfs/dbraw/zinc/64/44/23/501644423.db2.gz OICBGQJKQVINKM-AWEZNQCLSA-N -1 3 371.478 3.165 20 0 FGADHM O=c1cc(CN(C[C@H]2CCCO2)[C@@H]2CCSC2)nc(-c2ccccc2)[n-]1 ZINC000459396988 501646159 /nfs/dbraw/zinc/64/61/59/501646159.db2.gz WGZNAAINPBMNSH-QZTJIDSGSA-N -1 3 371.506 3.336 20 0 FGADHM C[C@H](NCc1cccc([O-])c1Br)C(=O)N1CCCC[C@H]1C ZINC000459403987 501647308 /nfs/dbraw/zinc/64/73/08/501647308.db2.gz HCSNIHKHCHPJNZ-NEPJUHHUSA-N -1 3 355.276 3.034 20 0 FGADHM CC(C)c1noc(CCCNCc2cccc([O-])c2Br)n1 ZINC000459413353 501649587 /nfs/dbraw/zinc/64/95/87/501649587.db2.gz WTVSBATYMFBTCG-UHFFFAOYSA-N -1 3 354.248 3.384 20 0 FGADHM O=c1cc(CN2CC[C@@H](OCc3ccncc3)C2)nc(-c2ccccc2)[n-]1 ZINC000459444394 501655005 /nfs/dbraw/zinc/65/50/05/501655005.db2.gz NSYGZZJLGZXFME-LJQANCHMSA-N -1 3 362.433 3.035 20 0 FGADHM CC(C)(NCc1cccc([O-])c1Br)C(=O)NCC1CCCC1 ZINC000459449363 501655889 /nfs/dbraw/zinc/65/58/89/501655889.db2.gz YXPWZYLKZXRIKB-UHFFFAOYSA-N -1 3 369.303 3.329 20 0 FGADHM O=c1cc(CN[C@H](CCO)c2cccc(C(F)(F)F)c2)nc(C2CC2)[n-]1 ZINC000459524950 501669580 /nfs/dbraw/zinc/66/95/80/501669580.db2.gz WWIWEPSUEVNLFS-OAHLLOKOSA-N -1 3 367.371 3.292 20 0 FGADHM CCOc1cc(CN[C@@H](C)c2nc(C)no2)cc(Br)c1[O-] ZINC000459532642 501670898 /nfs/dbraw/zinc/67/08/98/501670898.db2.gz VDZAINPLWVDPPQ-QMMMGPOBSA-N -1 3 356.220 3.096 20 0 FGADHM COCCN(Cc1c(C)nn(C)c1C)C(=O)c1ccc(C(C)C)cc1[O-] ZINC000457259840 501673207 /nfs/dbraw/zinc/67/32/07/501673207.db2.gz LUKKUTFYYAELQC-UHFFFAOYSA-N -1 3 359.470 3.155 20 0 FGADHM C[C@H](C(=O)Nc1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1)c1cccc(Cl)c1 ZINC000607800209 506267753 /nfs/dbraw/zinc/26/77/53/506267753.db2.gz PMPCVRTWVMMXQX-JEOXALJRSA-N -1 3 371.824 3.137 20 0 FGADHM COC(=O)c1c(F)ccc([N-]C(=O)c2cc3nccnc3cc2F)c1F ZINC000485171229 501747045 /nfs/dbraw/zinc/74/70/45/501747045.db2.gz LZSBWRAWIIZZCS-UHFFFAOYSA-N -1 3 361.279 3.086 20 0 FGADHM CCN(CC[N-]S(=O)(=O)c1oc2ccc(Cl)cc2c1C)C1CC1 ZINC000470629354 501748679 /nfs/dbraw/zinc/74/86/79/501748679.db2.gz UTBFLXKPIKQAPJ-UHFFFAOYSA-N -1 3 356.875 3.157 20 0 FGADHM CCC[C@@H](C)CS(=O)(=O)[N-][C@H](CO)c1c(Cl)cccc1Cl ZINC000481487899 501788479 /nfs/dbraw/zinc/78/84/79/501788479.db2.gz DIWZXUGKTHCUHL-ZWNOBZJWSA-N -1 3 354.299 3.382 20 0 FGADHM COc1c2ccccc2oc1C[N-]S(=O)(=O)c1ccc(C(C)=O)cc1 ZINC000474376003 501811453 /nfs/dbraw/zinc/81/14/53/501811453.db2.gz MJTTWQLQSHYGMV-UHFFFAOYSA-N -1 3 359.403 3.123 20 0 FGADHM COc1c2ccccc2oc1C[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000474395352 501820793 /nfs/dbraw/zinc/82/07/93/501820793.db2.gz SJZHLDQTEFNYSM-UHFFFAOYSA-N -1 3 353.346 3.198 20 0 FGADHM CCc1cc(C(=O)N2CCN(Cc3ccc(OC)c(F)c3)CC2)ccc1[O-] ZINC000485560169 501860982 /nfs/dbraw/zinc/86/09/82/501860982.db2.gz PCVACMQMQQXRAS-UHFFFAOYSA-N -1 3 372.440 3.060 20 0 FGADHM CCn1cnc(S(=O)(=O)[N-][C@@H](c2ccc(F)cc2F)C(C)(C)C)c1 ZINC000467763018 501864173 /nfs/dbraw/zinc/86/41/73/501864173.db2.gz QOVXGAIRYHIMPG-HNNXBMFYSA-N -1 3 357.426 3.247 20 0 FGADHM COc1cccc2sc(NC(=O)c3c(C)[n-]c(=O)nc3SC)nc21 ZINC000474581126 501883196 /nfs/dbraw/zinc/88/31/96/501883196.db2.gz USBYFIQUPUIXRS-UHFFFAOYSA-N -1 3 362.436 3.083 20 0 FGADHM CCCCc1nc(C(=O)OCC)c(NC(=O)c2ccc(OC)cc2C)[n-]1 ZINC000485662861 501892610 /nfs/dbraw/zinc/89/26/10/501892610.db2.gz FPVHXHFKMYAFRT-UHFFFAOYSA-N -1 3 359.426 3.498 20 0 FGADHM CCCCc1nc(NC(=O)c2ccc(OC)cc2C)c(C(=O)OCC)[n-]1 ZINC000485662861 501892614 /nfs/dbraw/zinc/89/26/14/501892614.db2.gz FPVHXHFKMYAFRT-UHFFFAOYSA-N -1 3 359.426 3.498 20 0 FGADHM CCCCc1nc(C(=O)OCC)c(NC(=O)c2cn3ccc(C)cc3n2)[n-]1 ZINC000485664098 501893043 /nfs/dbraw/zinc/89/30/43/501893043.db2.gz IYXKSECSGGETNC-UHFFFAOYSA-N -1 3 369.425 3.137 20 0 FGADHM CCCCc1nc(NC(=O)c2cn3ccc(C)cc3n2)c(C(=O)OCC)[n-]1 ZINC000485664098 501893045 /nfs/dbraw/zinc/89/30/45/501893045.db2.gz IYXKSECSGGETNC-UHFFFAOYSA-N -1 3 369.425 3.137 20 0 FGADHM COc1ccc(S(=O)(=O)[N-][C@H]2CCSc3ccccc32)c(F)c1 ZINC000478148806 501893988 /nfs/dbraw/zinc/89/39/88/501893988.db2.gz LLAOPUQSFXLGMR-AWEZNQCLSA-N -1 3 353.440 3.350 20 0 FGADHM Cc1c(F)c(C(F)(F)F)ccc1C(=O)N=c1cc(OC(F)F)n(C)[n-]1 ZINC000467876656 501896002 /nfs/dbraw/zinc/89/60/02/501896002.db2.gz SXRWFSUAGOYVNG-UHFFFAOYSA-N -1 3 367.249 3.162 20 0 FGADHM CN(C)Cc1ccc([N-]S(=O)(=O)c2cccc(N(C)C)c2)cc1Cl ZINC000481867904 501903203 /nfs/dbraw/zinc/90/32/03/501903203.db2.gz PTEVZYKLUCCMIQ-UHFFFAOYSA-N -1 3 367.902 3.268 20 0 FGADHM O=C(NCc1ncccc1[O-])Nc1ccc(F)cc1-c1nc(C2CC2)no1 ZINC000467929321 501908287 /nfs/dbraw/zinc/90/82/87/501908287.db2.gz HFENFIQOOOOYDV-UHFFFAOYSA-N -1 3 369.356 3.175 20 0 FGADHM CCCCc1nc(C(=O)OCC)c(NC(=O)Cc2cc(F)ccc2F)[n-]1 ZINC000485709516 501910253 /nfs/dbraw/zinc/91/02/53/501910253.db2.gz KKHGNOSSQAMPLH-UHFFFAOYSA-N -1 3 365.380 3.388 20 0 FGADHM CCCCc1nc(NC(=O)Cc2cc(F)ccc2F)c(C(=O)OCC)[n-]1 ZINC000485709516 501910255 /nfs/dbraw/zinc/91/02/55/501910255.db2.gz KKHGNOSSQAMPLH-UHFFFAOYSA-N -1 3 365.380 3.388 20 0 FGADHM Cc1cc(F)c(S(=O)(=O)[N-]CC(=O)c2ccccc2Cl)cc1F ZINC000464201350 501920858 /nfs/dbraw/zinc/92/08/58/501920858.db2.gz ZIWWMGAAUDHJKB-UHFFFAOYSA-N -1 3 359.781 3.088 20 0 FGADHM CCN=c1[n-]c(C(=O)N[C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)cs1 ZINC000478265519 501926137 /nfs/dbraw/zinc/92/61/37/501926137.db2.gz IKYSOMZRDCDZOL-NSHDSACASA-N -1 3 373.457 3.121 20 0 FGADHM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2ccc(OCC3CC3)cc2)cc1 ZINC000460823742 501929187 /nfs/dbraw/zinc/92/91/87/501929187.db2.gz SBAMHCJJVZVAIK-UHFFFAOYSA-N -1 3 374.462 3.259 20 0 FGADHM CCc1ncc(S(=O)(=O)[N-]Cc2ccc(OC(F)(F)F)cc2)s1 ZINC000460929381 501961303 /nfs/dbraw/zinc/96/13/03/501961303.db2.gz FDZAABATNLKNOW-UHFFFAOYSA-N -1 3 366.386 3.083 20 0 FGADHM CCc1ncc(S(=O)(=O)[N-]CC2(Sc3ccccc3)CC2)s1 ZINC000460946164 501966114 /nfs/dbraw/zinc/96/61/14/501966114.db2.gz NCJXDHDUBOOCGM-UHFFFAOYSA-N -1 3 354.522 3.309 20 0 FGADHM CCc1ncc(S(=O)(=O)[N-][C@@H](C)CCc2ccc(OC)cc2)s1 ZINC000460944390 501966519 /nfs/dbraw/zinc/96/65/19/501966519.db2.gz FFZZPWJNEOACBL-LBPRGKRZSA-N -1 3 354.497 3.014 20 0 FGADHM CC(C)[C@@H]1CCCN(C(=O)N=c2cc3ccc(Br)cn3[n-]2)C1 ZINC000482075274 501966723 /nfs/dbraw/zinc/96/67/23/501966723.db2.gz LSWPKVQNMHZMPG-GFCCVEGCSA-N -1 3 365.275 3.419 20 0 FGADHM CCc1ncc(S(=O)(=O)[N-][C@H](c2ccccc2)c2ccncc2)s1 ZINC000460958492 501970277 /nfs/dbraw/zinc/97/02/77/501970277.db2.gz 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ZINC000471346871 501994716 /nfs/dbraw/zinc/99/47/16/501994716.db2.gz VYNLXXGQADLBNG-HXUWFJFHSA-N -1 3 366.461 3.439 20 0 FGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)CSc2ccc(F)cc2)c1 ZINC000461035649 501995057 /nfs/dbraw/zinc/99/50/57/501995057.db2.gz CCPQFOZQPGVRPP-UHFFFAOYSA-N -1 3 368.455 3.236 20 0 FGADHM O=C(CNC(=O)c1cccc([O-])c1)NC1(c2ccc(Cl)cc2)CCCC1 ZINC000471369520 502001563 /nfs/dbraw/zinc/00/15/63/502001563.db2.gz FTOUGXSVELEOMV-UHFFFAOYSA-N -1 3 372.852 3.361 20 0 FGADHM O=C(CNC(=O)c1cccc([O-])c1)Nc1cccc(N2CCCCCC2)c1 ZINC000471381867 502006381 /nfs/dbraw/zinc/00/63/81/502006381.db2.gz DJUGTNMSVUWREK-UHFFFAOYSA-N -1 3 367.449 3.141 20 0 FGADHM C/C=C\c1ccc(NC(=O)Nc2ccc(C[C@@H]3NC(=O)[N-]C3=O)cc2)cc1 ZINC000478517408 502006535 /nfs/dbraw/zinc/00/65/35/502006535.db2.gz MGULSQXHSXVLPI-KYVUIXNKSA-N -1 3 364.405 3.114 20 0 FGADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)c1ccccc1CCC(F)(F)F ZINC000482213890 502009158 /nfs/dbraw/zinc/00/91/58/502009158.db2.gz POPAGBPRIKIIJE-UHFFFAOYSA-N -1 3 366.265 3.248 20 0 FGADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)c1ccccc1CCC(F)(F)F ZINC000482213890 502009162 /nfs/dbraw/zinc/00/91/62/502009162.db2.gz POPAGBPRIKIIJE-UHFFFAOYSA-N -1 3 366.265 3.248 20 0 FGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1ccccc1CCC(F)(F)F ZINC000482213890 502009164 /nfs/dbraw/zinc/00/91/64/502009164.db2.gz POPAGBPRIKIIJE-UHFFFAOYSA-N -1 3 366.265 3.248 20 0 FGADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)c1occc1-c1ccc(F)cc1 ZINC000482227206 502012370 /nfs/dbraw/zinc/01/23/70/502012370.db2.gz CGCVZWDLIZQUAJ-UHFFFAOYSA-N -1 3 354.263 3.153 20 0 FGADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)c1occc1-c1ccc(F)cc1 ZINC000482227206 502012378 /nfs/dbraw/zinc/01/23/78/502012378.db2.gz CGCVZWDLIZQUAJ-UHFFFAOYSA-N -1 3 354.263 3.153 20 0 FGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1occc1-c1ccc(F)cc1 ZINC000482227206 502012382 /nfs/dbraw/zinc/01/23/82/502012382.db2.gz CGCVZWDLIZQUAJ-UHFFFAOYSA-N -1 3 354.263 3.153 20 0 FGADHM CCOc1nc2ccc(C(=O)Nc3nccn3Cc3ccccc3)cc2[n-]1 ZINC000485995269 502013874 /nfs/dbraw/zinc/01/38/74/502013874.db2.gz AQNCPDJODCYVQQ-UHFFFAOYSA-N -1 3 361.405 3.459 20 0 FGADHM CCOc1nc2cc(C(=O)Nc3nccn3Cc3ccccc3)ccc2[n-]1 ZINC000485995269 502013880 /nfs/dbraw/zinc/01/38/80/502013880.db2.gz AQNCPDJODCYVQQ-UHFFFAOYSA-N -1 3 361.405 3.459 20 0 FGADHM CC(C)C1(CNC(=O)N=c2cc3ccc(Br)cn3[n-]2)CC1 ZINC000482233857 502015294 /nfs/dbraw/zinc/01/52/94/502015294.db2.gz UVOADKJVOJRUQX-UHFFFAOYSA-N -1 3 351.248 3.076 20 0 FGADHM CCc1cc(=O)[n-]c(CN(CCc2ccc(C)cc2)C[C@H]2CCCO2)n1 ZINC000468283648 502016315 /nfs/dbraw/zinc/01/63/15/502016315.db2.gz ZVAVOSGZQCGVMY-LJQANCHMSA-N -1 3 355.482 3.277 20 0 FGADHM Cc1cc2occ(CC(=O)NCc3nnc(C(F)(F)F)[n-]3)c2cc1C ZINC000482247042 502018576 /nfs/dbraw/zinc/01/85/76/502018576.db2.gz QUGQCBTZZXKYKJ-UHFFFAOYSA-N -1 3 352.316 3.045 20 0 FGADHM Cc1cc2occ(CC(=O)NCc3n[n-]c(C(F)(F)F)n3)c2cc1C ZINC000482247042 502018580 /nfs/dbraw/zinc/01/85/80/502018580.db2.gz QUGQCBTZZXKYKJ-UHFFFAOYSA-N -1 3 352.316 3.045 20 0 FGADHM Cc1cc2occ(CC(=O)NCc3nc(C(F)(F)F)n[n-]3)c2cc1C ZINC000482247042 502018583 /nfs/dbraw/zinc/01/85/83/502018583.db2.gz QUGQCBTZZXKYKJ-UHFFFAOYSA-N -1 3 352.316 3.045 20 0 FGADHM Cn1[n-]c(-c2ccccc2Cl)nc1=NC(=O)CC(C)(C)C(F)(F)F ZINC000461230249 502045530 /nfs/dbraw/zinc/04/55/30/502045530.db2.gz QOMJGRUSSSSUIO-UHFFFAOYSA-N -1 3 360.767 3.475 20 0 FGADHM CN(C)[C@@H](CNC(=O)c1ccc(Br)c([O-])c1)c1ccsc1 ZINC000482493175 502085969 /nfs/dbraw/zinc/08/59/69/502085969.db2.gz LTYMQLQBHFRNNE-ZDUSSCGKSA-N -1 3 369.284 3.249 20 0 FGADHM COc1cc(C(=O)N[C@@H](C)c2nc(-c3cccc(F)c3)no2)ccc1[O-] ZINC000464783480 502093187 /nfs/dbraw/zinc/09/31/87/502093187.db2.gz LKJPSNJNUWVJAA-JTQLQIEISA-N -1 3 357.341 3.081 20 0 FGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)Cc1ccccc1F ZINC000486254593 502100804 /nfs/dbraw/zinc/10/08/04/502100804.db2.gz VAONAIDJOKKPKH-NSHDSACASA-N -1 3 357.834 3.397 20 0 FGADHM CC(C)Oc1ccc(CC[C@@H](C)NC(=O)NCc2ncccc2[O-])cc1 ZINC000471684526 502108354 /nfs/dbraw/zinc/10/83/54/502108354.db2.gz HOPJXSIHWCHLTP-OAHLLOKOSA-N -1 3 357.454 3.395 20 0 FGADHM C[C@H](O)C[C@@H]1CCCCN1C(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000468570296 502110851 /nfs/dbraw/zinc/11/08/51/502110851.db2.gz PRYINQOYNYVVJA-KXBFYZLASA-N -1 3 367.445 3.389 20 0 FGADHM COc1cccc([C@H](CNC(=O)CCCc2ccc([O-])c(F)c2)N(C)C)c1 ZINC000468577390 502112704 /nfs/dbraw/zinc/11/27/04/502112704.db2.gz MFRPMFXAJZATSJ-IBGZPJMESA-N -1 3 374.456 3.282 20 0 FGADHM c1ccc(-c2nc(=NCCCN3CCc4ccccc4C3)s[n-]2)cc1 ZINC000461448459 502118062 /nfs/dbraw/zinc/11/80/62/502118062.db2.gz VNTQXIGTMMAUFF-UHFFFAOYSA-N -1 3 350.491 3.487 20 0 FGADHM O=C(Nc1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1F)C1CCCCC1 ZINC000461468997 502125756 /nfs/dbraw/zinc/12/57/56/502125756.db2.gz HGEWJQWYKUGNNN-UHFFFAOYSA-N -1 3 374.865 3.439 20 0 FGADHM C[N-]S(=O)(=O)c1cc(NC(=O)N[C@H]2CCCC[C@H]2C(C)C)ccc1F ZINC000486342654 502127401 /nfs/dbraw/zinc/12/74/01/502127401.db2.gz HQBLEPJXRVIXQN-ZFWWWQNUSA-N -1 3 371.478 3.070 20 0 FGADHM COc1ccc(CN(C)C(=O)c2c[n-]c3c(C)cc(C)cc3c2=O)cc1 ZINC000482638542 502135280 /nfs/dbraw/zinc/13/52/80/502135280.db2.gz QIBUCQYSLOQVCI-UHFFFAOYSA-N -1 3 350.418 3.426 20 0 FGADHM COc1ccccc1SC[C@H](C)CNC(=O)NCc1ncccc1[O-] ZINC000471802805 502141003 /nfs/dbraw/zinc/14/10/03/502141003.db2.gz CWAXUWMQDVXQFW-CYBMUJFWSA-N -1 3 361.467 3.023 20 0 FGADHM O=C1N[C@H](c2ccc(Cl)c(F)c2)C(=O)N1Cc1ccc([O-])c(F)c1 ZINC000479032025 502142530 /nfs/dbraw/zinc/14/25/30/502142530.db2.gz BRACYXZWXBMANV-CQSZACIVSA-N -1 3 352.724 3.117 20 0 FGADHM CCCc1sc(C(=O)Nc2cc3c(cc2[O-])n(C)c(=O)n3C)cc1CC ZINC000461625675 502156952 /nfs/dbraw/zinc/15/69/52/502156952.db2.gz VRVLDJRIKGYDSA-UHFFFAOYSA-N -1 3 373.478 3.411 20 0 FGADHM CCCC[C@H]1CCC[C@@H]1NC(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C)c1 ZINC000486459713 502159400 /nfs/dbraw/zinc/15/94/00/502159400.db2.gz LBYBWNNXGCSIIQ-WFASDCNBSA-N -1 3 371.478 3.214 20 0 FGADHM Cc1ccc([N-]S(=O)(=O)c2ccc3ncsc3c2)c(CN(C)C)c1 ZINC000479085178 502159388 /nfs/dbraw/zinc/15/93/88/502159388.db2.gz LPLSDDSUPMRQGV-UHFFFAOYSA-N -1 3 361.492 3.467 20 0 FGADHM CC(C)Oc1ccc([C@H](C)NC(=O)NCc2nnc(C(F)(F)F)[n-]2)cc1 ZINC000482734592 502164801 /nfs/dbraw/zinc/16/48/01/502164801.db2.gz OWKYBRAIKSSQIY-JTQLQIEISA-N -1 3 371.363 3.171 20 0 FGADHM CC(C)Oc1ccc([C@H](C)NC(=O)NCc2n[n-]c(C(F)(F)F)n2)cc1 ZINC000482734592 502164804 /nfs/dbraw/zinc/16/48/04/502164804.db2.gz OWKYBRAIKSSQIY-JTQLQIEISA-N -1 3 371.363 3.171 20 0 FGADHM CC(C)Oc1ccc([C@H](C)NC(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000482734592 502164808 /nfs/dbraw/zinc/16/48/08/502164808.db2.gz OWKYBRAIKSSQIY-JTQLQIEISA-N -1 3 371.363 3.171 20 0 FGADHM CCCCn1ncc(NC(=O)CCc2c(C)nc(C)[n-]c2=O)c1C(C)C ZINC000482754744 502171441 /nfs/dbraw/zinc/17/14/41/502171441.db2.gz QNYMXCWKXOIGIE-UHFFFAOYSA-N -1 3 359.474 3.490 20 0 FGADHM C[C@@]([N-]S(=O)(=O)c1ccc(OCC(F)F)cc1)(C1CC1)C(F)(F)F ZINC000479146377 502175996 /nfs/dbraw/zinc/17/59/96/502175996.db2.gz FNQOLNFEQWMHNM-CYBMUJFWSA-N -1 3 373.343 3.340 20 0 FGADHM CCC(=O)Nc1ccc(S(=O)(=O)[N-][C@](C)(C2CC2)C(F)(F)F)cc1 ZINC000479152988 502176799 /nfs/dbraw/zinc/17/67/99/502176799.db2.gz JWXAVNDYXZXWCE-CQSZACIVSA-N -1 3 364.389 3.044 20 0 FGADHM COCCOc1ccc(F)cc1S(=O)(=O)[N-][C@@H]1CCCC(C)(C)C1 ZINC000468771200 502177456 /nfs/dbraw/zinc/17/74/56/502177456.db2.gz BBYHHKMWXFQSTF-CQSZACIVSA-N -1 3 359.463 3.098 20 0 FGADHM CC[C@@H](CNC(=O)c1cc(=O)c2ccccc2[n-]1)Oc1ccccc1F ZINC000482774517 502178190 /nfs/dbraw/zinc/17/81/90/502178190.db2.gz USMJRIXSASNNAY-ZDUSSCGKSA-N -1 3 354.381 3.255 20 0 FGADHM CN(Cc1ccc(F)cc1Br)C(=O)c1ccc2n[n-]nc2c1 ZINC000482799649 502183502 /nfs/dbraw/zinc/18/35/02/502183502.db2.gz ZHHVWLUKXTXHSJ-UHFFFAOYSA-N -1 3 363.190 3.132 20 0 FGADHM CCC[C@H]1[C@@H](C)CCCN1C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C)c1 ZINC000486542139 502184888 /nfs/dbraw/zinc/18/48/88/502184888.db2.gz VKCDFHMODGLSIG-WFASDCNBSA-N -1 3 371.478 3.166 20 0 FGADHM COC(=O)C1(N(C)C(=O)CCCc2ccc([O-])c(F)c2)CCCCC1 ZINC000468804282 502188991 /nfs/dbraw/zinc/18/89/91/502188991.db2.gz CPYYPTUWXQCCEN-UHFFFAOYSA-N -1 3 351.418 3.188 20 0 FGADHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2OC)C12CCCC2 ZINC000486581739 502198042 /nfs/dbraw/zinc/19/80/42/502198042.db2.gz BTCMRTUYIXJSHV-JKSUJKDBSA-N -1 3 373.902 3.365 20 0 FGADHM C[N-]S(=O)(=O)c1cc(NC(=O)N(CC(C)C)C2CCCC2)ccc1F ZINC000486600873 502203755 /nfs/dbraw/zinc/20/37/55/502203755.db2.gz WFPILORYQQJSPH-UHFFFAOYSA-N -1 3 371.478 3.166 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1cc(Oc2ccccc2)ccn1 ZINC000465175063 502207480 /nfs/dbraw/zinc/20/74/80/502207480.db2.gz PAWNSZCWFKGLNP-UHFFFAOYSA-N -1 3 358.361 3.306 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cc(Oc2ccccc2)ccn1 ZINC000465175063 502207485 /nfs/dbraw/zinc/20/74/85/502207485.db2.gz PAWNSZCWFKGLNP-UHFFFAOYSA-N -1 3 358.361 3.306 20 0 FGADHM O=C(NCc1ncccc1[O-])N[C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000472040170 502207949 /nfs/dbraw/zinc/20/79/49/502207949.db2.gz ZUVVNSWDLNXMJU-GOSISDBHSA-N -1 3 368.824 3.424 20 0 FGADHM CC(C)(C)c1ccc(S(=O)(=O)CCNCc2cc([O-])cc(F)c2)cc1 ZINC000472042532 502208901 /nfs/dbraw/zinc/20/89/01/502208901.db2.gz LEMCGUIBQZVCMP-UHFFFAOYSA-N -1 3 365.470 3.392 20 0 FGADHM C[C@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000461810581 502209822 /nfs/dbraw/zinc/20/98/22/502209822.db2.gz GSFKZPIDHAGGDS-VHSXEESVSA-N -1 3 350.253 3.303 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1)C(F)(F)F ZINC000468859830 502209975 /nfs/dbraw/zinc/20/99/75/502209975.db2.gz HBSVYUXQNPFRNA-VIFPVBQESA-N -1 3 351.268 3.204 20 0 FGADHM Cc1cccc(F)c1S(=O)(=O)[N-][C@@H](c1ccc(F)cc1)[C@@H]1CCCO1 ZINC000475569806 502214832 /nfs/dbraw/zinc/21/48/32/502214832.db2.gz QQLYAYKQTNTTAA-IRXDYDNUSA-N -1 3 367.417 3.472 20 0 FGADHM C[C@H](NC(=O)NCc1ncccc1[O-])c1noc(-c2ccc(Cl)cc2)n1 ZINC000472058969 502215299 /nfs/dbraw/zinc/21/52/99/502215299.db2.gz SKDDBBMQCUQGBS-JTQLQIEISA-N -1 3 373.800 3.051 20 0 FGADHM Cc1cccc(F)c1S(=O)(=O)[N-][C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000475578695 502217272 /nfs/dbraw/zinc/21/72/72/502217272.db2.gz QNCRMLOGOOMIOX-NVXWUHKLSA-N -1 3 362.470 3.248 20 0 FGADHM CCn1cnc(S(=O)(=O)[N-]C2(c3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000461893896 502226726 /nfs/dbraw/zinc/22/67/26/502226726.db2.gz GZCAEBXGNOQEBK-UHFFFAOYSA-N -1 3 360.266 3.177 20 0 FGADHM O=C(Nc1nnc(-c2ccco2)[n-]1)C1(c2cccc(Br)c2)CC1 ZINC000486673110 502227339 /nfs/dbraw/zinc/22/73/39/502227339.db2.gz SQRMYZSYSHCYKK-UHFFFAOYSA-N -1 3 373.210 3.498 20 0 FGADHM O=C(Nc1nc(-c2ccco2)n[n-]1)C1(c2cccc(Br)c2)CC1 ZINC000486673110 502227344 /nfs/dbraw/zinc/22/73/44/502227344.db2.gz SQRMYZSYSHCYKK-UHFFFAOYSA-N -1 3 373.210 3.498 20 0 FGADHM O=C(Nc1n[n-]c(-c2ccco2)n1)C1(c2cccc(Br)c2)CC1 ZINC000486673110 502227350 /nfs/dbraw/zinc/22/73/50/502227350.db2.gz SQRMYZSYSHCYKK-UHFFFAOYSA-N -1 3 373.210 3.498 20 0 FGADHM O=S(=O)([N-][C@@H]1CCCC(F)(F)C1)c1ccc(F)cc1Br ZINC000486685529 502230835 /nfs/dbraw/zinc/23/08/35/502230835.db2.gz DSZWRCGBBFMONZ-SECBINFHSA-N -1 3 372.206 3.444 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-]CCOc1cccc(C(C)(C)C)c1 ZINC000472122278 502239674 /nfs/dbraw/zinc/23/96/74/502239674.db2.gz NHFVUGWRPBGYQJ-UHFFFAOYSA-N -1 3 369.508 3.412 20 0 FGADHM O=C(NCc1ncccc1[O-])NCC1(c2ccc(F)cc2F)CCCC1 ZINC000472192953 502264399 /nfs/dbraw/zinc/26/43/99/502264399.db2.gz PBAUXCVDGJKYLO-UHFFFAOYSA-N -1 3 361.392 3.377 20 0 FGADHM C[C@@H](NC(=O)NCc1ncccc1[O-])c1ccc(Br)s1 ZINC000472194118 502265177 /nfs/dbraw/zinc/26/51/77/502265177.db2.gz WQIZWVWWCTYYHT-MRVPVSSYSA-N -1 3 356.245 3.172 20 0 FGADHM Cc1ccc([C@H]2COCCN2C(=O)c2c[n-]c3c(C)cc(C)cc3c2=O)o1 ZINC000483086950 502268176 /nfs/dbraw/zinc/26/81/76/502268176.db2.gz JTJPQAIXDOXPMB-QGZVFWFLSA-N -1 3 366.417 3.260 20 0 FGADHM Cc1cccc(S(=O)(=O)[N-]CCc2ccccc2OC(F)F)c1F ZINC000472206699 502269315 /nfs/dbraw/zinc/26/93/15/502269315.db2.gz MPFOSUJDJMGSMI-UHFFFAOYSA-N -1 3 359.369 3.257 20 0 FGADHM O=S(=O)([N-]CCc1ccccc1OC(F)(F)F)c1ccccc1F ZINC000465487560 502277713 /nfs/dbraw/zinc/27/77/13/502277713.db2.gz DMZGLUQDTMAMTL-UHFFFAOYSA-N -1 3 363.332 3.245 20 0 FGADHM Cc1cccc([C@@H](CC(=O)N2CC[C@H](C)c3cccc([O-])c32)NC(N)=O)c1 ZINC000469053915 502280120 /nfs/dbraw/zinc/28/01/20/502280120.db2.gz PBVLYXBKXBVOQO-WMLDXEAASA-N -1 3 367.449 3.341 20 0 FGADHM Cc1noc(C)c1[C@@H](C)C[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000462062117 502290705 /nfs/dbraw/zinc/29/07/05/502290705.db2.gz XGAZHYPAOZXAKQ-ZETCQYMHSA-N -1 3 368.402 3.454 20 0 FGADHM C[C@@H](NC(=O)NCc1nnc(C(F)(F)F)[n-]1)c1c(F)cccc1Cl ZINC000483150668 502292259 /nfs/dbraw/zinc/29/22/59/502292259.db2.gz ZAQSABPAGABLMW-ZCFIWIBFSA-N -1 3 365.718 3.176 20 0 FGADHM C[C@@H](NC(=O)NCc1n[n-]c(C(F)(F)F)n1)c1c(F)cccc1Cl ZINC000483150668 502292262 /nfs/dbraw/zinc/29/22/62/502292262.db2.gz ZAQSABPAGABLMW-ZCFIWIBFSA-N -1 3 365.718 3.176 20 0 FGADHM C[C@@H](NC(=O)NCc1nc(C(F)(F)F)n[n-]1)c1c(F)cccc1Cl ZINC000483150668 502292265 /nfs/dbraw/zinc/29/22/65/502292265.db2.gz ZAQSABPAGABLMW-ZCFIWIBFSA-N -1 3 365.718 3.176 20 0 FGADHM O=C(C[N-]S(=O)(=O)CC12CCC(CC1)C2)Nc1cccc2ccccc21 ZINC000462092591 502304196 /nfs/dbraw/zinc/30/41/96/502304196.db2.gz KQKYNGUPXLTZHS-UHFFFAOYSA-N -1 3 372.490 3.278 20 0 FGADHM CCc1noc(CC)c1C[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000462097267 502304750 /nfs/dbraw/zinc/30/47/50/502304750.db2.gz JPHZLIVLJBEHFD-UHFFFAOYSA-N -1 3 368.402 3.358 20 0 FGADHM Cc1ccc(NC(=O)c2c[n-]c3c(C)cccc3c2=O)cc1C(=O)N(C)C ZINC000483181212 502304747 /nfs/dbraw/zinc/30/47/47/502304747.db2.gz KSRCMSNPARXHQW-UHFFFAOYSA-N -1 3 363.417 3.099 20 0 FGADHM CCc1cnc(CC[N-]S(=O)(=O)c2cc(C)c(F)cc2Cl)s1 ZINC000472301425 502306272 /nfs/dbraw/zinc/30/62/72/502306272.db2.gz SCMOTVRQPLAFTQ-UHFFFAOYSA-N -1 3 362.879 3.327 20 0 FGADHM O=S(=O)([N-]CCOCc1ccccc1)c1ccc(C(F)(F)F)s1 ZINC000462105945 502308179 /nfs/dbraw/zinc/30/81/79/502308179.db2.gz RBROILKHNRSUNP-UHFFFAOYSA-N -1 3 365.398 3.262 20 0 FGADHM CCc1cc(C(=O)N[C@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)cc2)ccc1[O-] ZINC000486936360 502309527 /nfs/dbraw/zinc/30/95/27/502309527.db2.gz JWFKSGRBZYMAOV-LPHOPBHVSA-N -1 3 372.852 3.310 20 0 FGADHM COc1cc(Br)c(S(=O)(=O)[N-]CCCCF)cc1Cl ZINC000462111715 502310628 /nfs/dbraw/zinc/31/06/28/502310628.db2.gz KKHJQBKFZQPIMY-UHFFFAOYSA-N -1 3 374.659 3.139 20 0 FGADHM Cc1cc(S(=O)(=O)[N-][C@H](C)CC(=O)OC(C)(C)C)c(Cl)cc1F ZINC000472319227 502312796 /nfs/dbraw/zinc/31/27/96/502312796.db2.gz UILJLTAOAPGSEQ-SNVBAGLBSA-N -1 3 365.854 3.186 20 0 FGADHM CO[C@@](C)(C[N-]S(=O)(=O)c1oc2ccc(Cl)cc2c1C)C1CC1 ZINC000462126479 502316455 /nfs/dbraw/zinc/31/64/55/502316455.db2.gz FBTWAMBAEGVMBA-INIZCTEOSA-N -1 3 357.859 3.488 20 0 FGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]CCNc1ccccn1 ZINC000472338884 502321691 /nfs/dbraw/zinc/32/16/91/502321691.db2.gz KVRUKNSTQMHUOQ-UHFFFAOYSA-N -1 3 365.842 3.180 20 0 FGADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H](C)C[C@@H]2CCCO2)s1 ZINC000462152142 502325326 /nfs/dbraw/zinc/32/53/26/502325326.db2.gz AGWUVADVUJNEAU-WPRPVWTQSA-N -1 3 368.318 3.055 20 0 FGADHM O=S(=O)([N-]Cc1cc(-c2ccccc2)on1)c1cc(F)c(F)c(F)c1 ZINC000462160355 502329150 /nfs/dbraw/zinc/32/91/50/502329150.db2.gz MFQDCRVSZXJAFN-UHFFFAOYSA-N -1 3 368.336 3.237 20 0 FGADHM Cn1ccnc1-c1csc(NC(=O)CCCc2ccc([O-])c(F)c2)n1 ZINC000469204108 502335324 /nfs/dbraw/zinc/33/53/24/502335324.db2.gz YINQMXGGFHZTDB-UHFFFAOYSA-N -1 3 360.414 3.350 20 0 FGADHM COCCOc1ccc(F)cc1S(=O)(=O)[N-][C@@H]1CCC[C@H](C(C)C)C1 ZINC000469268019 502357096 /nfs/dbraw/zinc/35/70/96/502357096.db2.gz UHQJMKQGDWVFPZ-GOEBONIOSA-N -1 3 373.490 3.344 20 0 FGADHM CCc1cc(C(=O)N[C@@H](c2cnn(C)c2)c2ccc(F)cc2)ccc1[O-] ZINC000487094944 502358093 /nfs/dbraw/zinc/35/80/93/502358093.db2.gz BYQBVAKXWXANLO-LJQANCHMSA-N -1 3 353.397 3.347 20 0 FGADHM O=S(=O)([N-]C[C@@H]1SCCc2ccccc21)c1ccc(F)cc1F ZINC000487099519 502359082 /nfs/dbraw/zinc/35/90/82/502359082.db2.gz LYKBUWCJSLDJGD-HNNXBMFYSA-N -1 3 355.431 3.274 20 0 FGADHM C[C@@H](Oc1ccccc1F)C(=O)Nc1nnc(-c2c(F)cccc2F)[n-]1 ZINC000479763730 502369996 /nfs/dbraw/zinc/36/99/96/502369996.db2.gz QDTCXRBNYHWLBN-SECBINFHSA-N -1 3 362.311 3.295 20 0 FGADHM C[C@@H](Oc1ccccc1F)C(=O)Nc1nc(-c2c(F)cccc2F)n[n-]1 ZINC000479763730 502370000 /nfs/dbraw/zinc/37/00/00/502370000.db2.gz QDTCXRBNYHWLBN-SECBINFHSA-N -1 3 362.311 3.295 20 0 FGADHM C[C@@H](Oc1ccccc1F)C(=O)Nc1n[n-]c(-c2c(F)cccc2F)n1 ZINC000479763730 502370006 /nfs/dbraw/zinc/37/00/06/502370006.db2.gz QDTCXRBNYHWLBN-SECBINFHSA-N -1 3 362.311 3.295 20 0 FGADHM COc1ccc([C@H](C)CC[N-]S(=O)(=O)c2cn(CC(C)C)cn2)cc1 ZINC000487144771 502372348 /nfs/dbraw/zinc/37/23/48/502372348.db2.gz DSNIZDLIAWKLJZ-OAHLLOKOSA-N -1 3 365.499 3.020 20 0 FGADHM O=S(=O)([N-]CCn1cccc1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000487157728 502376106 /nfs/dbraw/zinc/37/61/06/502376106.db2.gz UPRNXCABDQXVIN-UHFFFAOYSA-N -1 3 367.883 3.244 20 0 FGADHM C[C@H](Cc1ccncc1)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000487160342 502376843 /nfs/dbraw/zinc/37/68/43/502376843.db2.gz XUDXLOLLLNRWOY-SNVBAGLBSA-N -1 3 362.348 3.149 20 0 FGADHM Cc1ccccc1OCCC[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000462291870 502381896 /nfs/dbraw/zinc/38/18/96/502381896.db2.gz GIZZTXHRYIAXFH-UHFFFAOYSA-N -1 3 359.369 3.160 20 0 FGADHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-][C@@H]1CCCCC12CCCC2 ZINC000462291666 502382210 /nfs/dbraw/zinc/38/22/10/502382210.db2.gz RPZJTWLJCJGBAS-CQSZACIVSA-N -1 3 369.483 3.464 20 0 FGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CCCCC12CCCC2 ZINC000462298320 502384033 /nfs/dbraw/zinc/38/40/33/502384033.db2.gz QQVPPGYHDFXODM-OAHLLOKOSA-N -1 3 369.458 3.394 20 0 FGADHM Cn1cnc2cc(C(=O)Nc3nnc(-c4cc5ccccc5o4)[n-]3)ccc21 ZINC000462310752 502388124 /nfs/dbraw/zinc/38/81/24/502388124.db2.gz HECMTOAPPFSFMB-UHFFFAOYSA-N -1 3 358.361 3.357 20 0 FGADHM Cn1cnc2cc(C(=O)Nc3nc(-c4cc5ccccc5o4)n[n-]3)ccc21 ZINC000462310752 502388130 /nfs/dbraw/zinc/38/81/30/502388130.db2.gz HECMTOAPPFSFMB-UHFFFAOYSA-N -1 3 358.361 3.357 20 0 FGADHM Cn1cnc2cc(C(=O)Nc3n[n-]c(-c4cc5ccccc5o4)n3)ccc21 ZINC000462310752 502388135 /nfs/dbraw/zinc/38/81/35/502388135.db2.gz HECMTOAPPFSFMB-UHFFFAOYSA-N -1 3 358.361 3.357 20 0 FGADHM CN1CCC[C@@H](C[N-]S(=O)(=O)c2ccccc2F)[C@H]1c1cccs1 ZINC000462325251 502393400 /nfs/dbraw/zinc/39/34/00/502393400.db2.gz MYPSQWIXDOPIKM-GUYCJALGSA-N -1 3 368.499 3.249 20 0 FGADHM CCC[C@H](C)N1C[C@@H](C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)CC1=O ZINC000476136932 502395667 /nfs/dbraw/zinc/39/56/67/502395667.db2.gz FABZEPPXCSHXCR-QWRGUYRKSA-N -1 3 358.360 3.387 20 0 FGADHM O=C(c1cc(-c2ccco2)[n-]n1)N1CCN(C2CC2)c2ccc(F)cc21 ZINC000479848314 502396498 /nfs/dbraw/zinc/39/64/98/502396498.db2.gz NUYBBTAQIRKPIX-UHFFFAOYSA-N -1 3 352.369 3.438 20 0 FGADHM O=C(c1cc(-c2ccco2)n[n-]1)N1CCN(C2CC2)c2ccc(F)cc21 ZINC000479848314 502396501 /nfs/dbraw/zinc/39/65/01/502396501.db2.gz NUYBBTAQIRKPIX-UHFFFAOYSA-N -1 3 352.369 3.438 20 0 FGADHM Cc1ccc(-c2cc(=NC(=O)[C@@H]3CCc4nc(C(C)C)[nH]c4C3)[nH][n-]2)s1 ZINC000479851204 502397477 /nfs/dbraw/zinc/39/74/77/502397477.db2.gz LYGQFJPAQUYWOY-GFCCVEGCSA-N -1 3 369.494 3.459 20 0 FGADHM Cc1ccc(-c2cc(=NC(=O)[C@@H]3CCc4[nH]c(C(C)C)nc4C3)[nH][n-]2)s1 ZINC000479851204 502397479 /nfs/dbraw/zinc/39/74/79/502397479.db2.gz LYGQFJPAQUYWOY-GFCCVEGCSA-N -1 3 369.494 3.459 20 0 FGADHM CC(=O)NCc1ccc(S(=O)(=O)[N-][C@H]2CCC[C@@H](C(C)C)CC2)s1 ZINC000469393420 502397781 /nfs/dbraw/zinc/39/77/81/502397781.db2.gz NEXZJINBODVYFF-CABCVRRESA-N -1 3 372.556 3.267 20 0 FGADHM O=C(CCNC(=O)c1ccc(F)cc1)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000476165213 502402481 /nfs/dbraw/zinc/40/24/81/502402481.db2.gz QXDGBHJGOVTFNW-UHFFFAOYSA-N -1 3 370.302 3.309 20 0 FGADHM COC1(C[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)CCCCC1 ZINC000476213869 502416656 /nfs/dbraw/zinc/41/66/56/502416656.db2.gz DINOOESIFKMVTB-UHFFFAOYSA-N -1 3 369.380 3.472 20 0 FGADHM Cn1cc(CC[N-]S(=O)(=O)c2ccc(F)c(F)c2)c2ccc(F)cc21 ZINC000472686480 502418364 /nfs/dbraw/zinc/41/83/64/502418364.db2.gz OZYWQWBBWBWQST-UHFFFAOYSA-N -1 3 368.380 3.117 20 0 FGADHM COc1ccc(S(=O)(=O)[N-][C@H](C)CC(C)(C)OC)c(Cl)c1Cl ZINC000462415951 502429505 /nfs/dbraw/zinc/42/95/05/502429505.db2.gz IPAUUGVJBIDKHY-SECBINFHSA-N -1 3 370.298 3.484 20 0 FGADHM CCOC(=O)[C@@H]([N-]S(=O)(=O)CC1CCCC1)c1cccc(C)c1C ZINC000472757585 502432712 /nfs/dbraw/zinc/43/27/12/502432712.db2.gz XGMXJQABZGMWNN-KRWDZBQOSA-N -1 3 353.484 3.017 20 0 FGADHM COC(=O)c1cc([N-]C(=O)c2c(F)ccc(OC)c2OC)c(F)cc1F ZINC000472806440 502445710 /nfs/dbraw/zinc/44/57/10/502445710.db2.gz IECOKLWLUYEJBV-UHFFFAOYSA-N -1 3 369.295 3.160 20 0 FGADHM COCCN(C)CC[C@@H](N=c1[n-]nc(C(F)(F)F)s1)c1ccccc1 ZINC000480029311 502451680 /nfs/dbraw/zinc/45/16/80/502451680.db2.gz CZLWMOMWUYBDHK-CYBMUJFWSA-N -1 3 374.432 3.100 20 0 FGADHM CCc1nc([N-]C(=O)c2c(C)onc2-c2c(Cl)cccc2OC)n[nH]1 ZINC000476331771 502459367 /nfs/dbraw/zinc/45/93/67/502459367.db2.gz ISMWTYXVUWORBZ-UHFFFAOYSA-N -1 3 361.789 3.245 20 0 FGADHM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(F)c(F)cc2Cl)cs1 ZINC000476381942 502474974 /nfs/dbraw/zinc/47/49/74/502474974.db2.gz YYIWKPAHGCOLCM-UHFFFAOYSA-N -1 3 367.782 3.267 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)c1c(F)cccc1F ZINC000462546837 502482552 /nfs/dbraw/zinc/48/25/52/502482552.db2.gz RPGFCLLVAZDKNC-SSDOTTSWSA-N -1 3 351.296 3.422 20 0 FGADHM COc1ccc2c(c1)nc(CNC(=O)CCCc1ccc([O-])c(F)c1)n2C ZINC000469634608 502487309 /nfs/dbraw/zinc/48/73/09/502487309.db2.gz SZOLLENOOKQPIR-UHFFFAOYSA-N -1 3 371.412 3.066 20 0 FGADHM O=C([N-]c1c(F)cccc1Oc1ccccc1)c1cn([C@@H]2CCOC2)nn1 ZINC000480166505 502488500 /nfs/dbraw/zinc/48/85/00/502488500.db2.gz GZNYFQVHKMSGEV-CYBMUJFWSA-N -1 3 368.368 3.423 20 0 FGADHM Cc1nn(C)c(-n2ccnc2C)c1C(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000476450902 502491894 /nfs/dbraw/zinc/49/18/94/502491894.db2.gz HJSVUGSYRHCVTI-UHFFFAOYSA-N -1 3 359.817 3.142 20 0 FGADHM Cc1ncc(CNC(=O)Nc2cnn(CCC(C)C)c2C(C)C)c(=O)[n-]1 ZINC000487635179 502493835 /nfs/dbraw/zinc/49/38/35/502493835.db2.gz BHSGDBAUTWXABV-UHFFFAOYSA-N -1 3 360.462 3.178 20 0 FGADHM CCC[C@@H]([N-]S(=O)(=O)Cc1ccccc1Cl)C(=O)OC(C)(C)C ZINC000462654750 502523194 /nfs/dbraw/zinc/52/31/94/502523194.db2.gz AEZOCCZXMVQBDA-CQSZACIVSA-N -1 3 361.891 3.270 20 0 FGADHM C[C@@H](CN1CCOCC1)N(Cc1ccccc1)Cc1cc([O-])cc(F)c1 ZINC000473130570 502523332 /nfs/dbraw/zinc/52/33/32/502523332.db2.gz CAQYUHDVNDXMON-KRWDZBQOSA-N -1 3 358.457 3.254 20 0 FGADHM COc1cc(OC)cc(N2CCCN(Cc3cc([O-])cc(F)c3)CC2)c1 ZINC000473130695 502523535 /nfs/dbraw/zinc/52/35/35/502523535.db2.gz CXYXMCTZELGMQB-UHFFFAOYSA-N -1 3 360.429 3.261 20 0 FGADHM CCCCOCCOCC[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000462663697 502526729 /nfs/dbraw/zinc/52/67/29/502526729.db2.gz CTOCBAJJMRRQEB-UHFFFAOYSA-N -1 3 370.298 3.105 20 0 FGADHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(OC)ccc2Cl)C12CCCC2 ZINC000462665650 502527402 /nfs/dbraw/zinc/52/74/02/502527402.db2.gz JXBOLYXWOHIMNI-HZPDHXFCSA-N -1 3 373.902 3.365 20 0 FGADHM CCSc1cccc(CN2CCN(C(=O)c3cccc([O-])c3)CC2)c1 ZINC000473146264 502528062 /nfs/dbraw/zinc/52/80/62/502528062.db2.gz SOARXONIBKXOBV-UHFFFAOYSA-N -1 3 356.491 3.462 20 0 FGADHM CO[C@H](C[N-]S(=O)(=O)c1cc(F)cc(F)c1)c1cccc(Cl)c1 ZINC000462668159 502528919 /nfs/dbraw/zinc/52/89/19/502528919.db2.gz WMBPQTDNHJISQA-OAHLLOKOSA-N -1 3 361.797 3.284 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]C[C@H](C)C(F)(F)F)c(Br)c1 ZINC000476602789 502539319 /nfs/dbraw/zinc/53/93/19/502539319.db2.gz NOSVPULPUNAPIH-QMMMGPOBSA-N -1 3 360.195 3.234 20 0 FGADHM CCc1onc(-c2ccccc2Cl)c1C(=O)NCc1cnc(C)[n-]c1=O ZINC000476632860 502545595 /nfs/dbraw/zinc/54/55/95/502545595.db2.gz PXBBWOSLMSSZGB-UHFFFAOYSA-N -1 3 372.812 3.291 20 0 FGADHM O=S(=O)([N-][C@@H]1CC[C@@H]2CCC[C@H]2C1)c1cncc(Br)c1 ZINC000462715418 502546295 /nfs/dbraw/zinc/54/62/95/502546295.db2.gz MKKBBMAWRZIAKT-GMXVVIOVSA-N -1 3 359.289 3.091 20 0 FGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2OC)cc1Cl ZINC000462717890 502547289 /nfs/dbraw/zinc/54/72/89/502547289.db2.gz BKWLQNJHFYVVEA-VXGBXAGGSA-N -1 3 368.282 3.238 20 0 FGADHM CCOc1cc(C)ccc1NC(=O)NCCCNC(=O)c1cccc([O-])c1 ZINC000480381093 502552803 /nfs/dbraw/zinc/55/28/03/502552803.db2.gz DZVHLWAKQALXLN-UHFFFAOYSA-N -1 3 371.437 3.041 20 0 FGADHM CCOc1nc2cc(C(=O)NCc3nc4cccc(C)c4n3C)ccc2[n-]1 ZINC000469878563 502581331 /nfs/dbraw/zinc/58/13/31/502581331.db2.gz GRWSDGUWRIZACG-UHFFFAOYSA-N -1 3 363.421 3.087 20 0 FGADHM CCOc1nc2ccc(C(=O)NCc3nc4cccc(C)c4n3C)cc2[n-]1 ZINC000469878563 502581334 /nfs/dbraw/zinc/58/13/34/502581334.db2.gz GRWSDGUWRIZACG-UHFFFAOYSA-N -1 3 363.421 3.087 20 0 FGADHM O=C(NCc1ncccc1[O-])Nc1cc(F)c(Br)cc1F ZINC000469910157 502593519 /nfs/dbraw/zinc/59/35/19/502593519.db2.gz VGBZCQWJGSXVFF-UHFFFAOYSA-N -1 3 358.142 3.150 20 0 FGADHM CCCCOc1cc(OCCC)ccc1C(=O)NCc1cnc(C)[n-]c1=O ZINC000480536221 502594710 /nfs/dbraw/zinc/59/47/10/502594710.db2.gz BPBPKVZTKRKZRJ-UHFFFAOYSA-N -1 3 373.453 3.388 20 0 FGADHM O=C(Nc1cccc(CN2CCCCC2)c1)c1csc(=NC2CC2)[n-]1 ZINC000476843533 502599513 /nfs/dbraw/zinc/59/95/13/502599513.db2.gz MJAZQKLBNMRIME-UHFFFAOYSA-N -1 3 356.495 3.378 20 0 FGADHM CCOCc1ccc(-c2ccc(S([O-])=CC(=O)OC)cc2)cc1F ZINC000592985666 506324035 /nfs/dbraw/zinc/32/40/35/506324035.db2.gz BFRWCQVXGCQUDV-DEOSSOPVSA-N -1 3 350.411 3.310 20 0 FGADHM COc1ccc(C(=O)Nc2nc(C)ccc2[O-])c(OCCOC(C)C)c1 ZINC000476892934 502613966 /nfs/dbraw/zinc/61/39/66/502613966.db2.gz YHYNSASNCKIFAQ-UHFFFAOYSA-N -1 3 360.410 3.160 20 0 FGADHM COc1cc(C(=O)N[C@H](C)COc2c(C)cccc2C)cc(OC)c1[O-] ZINC000484311259 502621405 /nfs/dbraw/zinc/62/14/05/502621405.db2.gz USUFFQCDWUBEOI-CQSZACIVSA-N -1 3 359.422 3.224 20 0 FGADHM COC(=O)[C@H]1CCN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)[C@@H]1C ZINC000470005055 502627900 /nfs/dbraw/zinc/62/79/00/502627900.db2.gz WBEVFRSULTVTRX-MNOVXSKESA-N -1 3 373.434 3.040 20 0 FGADHM CCOC(=O)Cc1csc([N-]C(=O)c2c(F)c(F)cc(F)c2F)n1 ZINC000480730010 502655159 /nfs/dbraw/zinc/65/51/59/502655159.db2.gz UHNMSZVVPALODQ-UHFFFAOYSA-N -1 3 362.304 3.057 20 0 FGADHM Cc1cc(S(=O)(=O)[N-][C@H](C)CCC(=O)OC(C)C)c(Cl)cc1F ZINC000480728984 502655490 /nfs/dbraw/zinc/65/54/90/502655490.db2.gz NHBJNHAMMFIVSB-LLVKDONJSA-N -1 3 365.854 3.186 20 0 FGADHM COc1ccc(C[C@@H](C)C[N-]S(=O)(=O)c2ccc(OC)cc2F)cc1 ZINC000480732349 502656333 /nfs/dbraw/zinc/65/63/33/502656333.db2.gz DKBNRRHWQNJCJS-CYBMUJFWSA-N -1 3 367.442 3.000 20 0 FGADHM Cc1ncc(S(=O)(=O)[N-]Cc2ccc(C(F)(F)F)cc2C)s1 ZINC000466729400 502657293 /nfs/dbraw/zinc/65/72/93/502657293.db2.gz MWJDQTNVZGKNNT-UHFFFAOYSA-N -1 3 350.387 3.257 20 0 FGADHM O=C(COc1ccc(OCc2ccccc2)cc1)NCc1ncccc1[O-] ZINC000473630634 502660172 /nfs/dbraw/zinc/66/01/72/502660172.db2.gz OLFSFVDPNFCXQO-UHFFFAOYSA-N -1 3 364.401 3.061 20 0 FGADHM Cc1noc(C)c1CSc1ncccc1C(=O)NCc1ncccc1[O-] ZINC000473630177 502660515 /nfs/dbraw/zinc/66/05/15/502660515.db2.gz QLXNBJSCZPOBOL-UHFFFAOYSA-N -1 3 370.434 3.009 20 0 FGADHM CCCn1c(C)c(C(=O)NCc2ncccc2[O-])c2cc(OC)ccc21 ZINC000473634890 502661307 /nfs/dbraw/zinc/66/13/07/502661307.db2.gz AKGAGWURIZYMMD-UHFFFAOYSA-N -1 3 353.422 3.399 20 0 FGADHM C[C@H]1Cc2ccccc2N1Cc1ccoc1C(=O)NCc1ncccc1[O-] ZINC000473634343 502661650 /nfs/dbraw/zinc/66/16/50/502661650.db2.gz SGAAKWBGLXIWOI-AWEZNQCLSA-N -1 3 363.417 3.261 20 0 FGADHM CCc1c(C(=O)NCc2ncccc2[O-])cnn1-c1ccccc1Cl ZINC000473640379 502663313 /nfs/dbraw/zinc/66/33/13/502663313.db2.gz LJTUSZZNPZFQPL-UHFFFAOYSA-N -1 3 356.813 3.119 20 0 FGADHM Cc1ccc(-n2ncc(C(=O)NCc3ncccc3[O-])c2C(C)C)cc1 ZINC000473644460 502665945 /nfs/dbraw/zinc/66/59/45/502665945.db2.gz RKFFWMJJVODIMO-UHFFFAOYSA-N -1 3 350.422 3.335 20 0 FGADHM O=C(Nc1nnc(-c2c(F)cccc2F)[n-]1)c1ccnn1C1CCCC1 ZINC000488236534 502666126 /nfs/dbraw/zinc/66/61/26/502666126.db2.gz VQOACGLXGMSYAM-UHFFFAOYSA-N -1 3 358.352 3.314 20 0 FGADHM O=C(Nc1nc(-c2c(F)cccc2F)n[n-]1)c1ccnn1C1CCCC1 ZINC000488236534 502666133 /nfs/dbraw/zinc/66/61/33/502666133.db2.gz VQOACGLXGMSYAM-UHFFFAOYSA-N -1 3 358.352 3.314 20 0 FGADHM O=C(Nc1n[n-]c(-c2c(F)cccc2F)n1)c1ccnn1C1CCCC1 ZINC000488236534 502666138 /nfs/dbraw/zinc/66/61/38/502666138.db2.gz VQOACGLXGMSYAM-UHFFFAOYSA-N -1 3 358.352 3.314 20 0 FGADHM O=C(NCc1ncccc1[O-])c1ccccc1OCCOc1ccccc1 ZINC000473646204 502666420 /nfs/dbraw/zinc/66/64/20/502666420.db2.gz WOOPEMANOZRWLI-UHFFFAOYSA-N -1 3 364.401 3.175 20 0 FGADHM CCCn1c(=O)[n-]nc1SCCOc1ccc(C(=O)OC)cc1Cl ZINC000463039851 502672423 /nfs/dbraw/zinc/67/24/23/502672423.db2.gz TXFTUXZXWDOLEL-UHFFFAOYSA-N -1 3 371.846 3.005 20 0 FGADHM COCCCn1c(=O)[n-]nc1SCc1cc(C)ccc1OC(F)F ZINC000488267895 502674028 /nfs/dbraw/zinc/67/40/28/502674028.db2.gz SCFFVMPIOUZLOO-UHFFFAOYSA-N -1 3 359.398 3.222 20 0 FGADHM CCOc1ccc(S(=O)(=O)[N-]c2cc(-c3n[nH]c(C)n3)ccc2C)cc1 ZINC000484604729 502680734 /nfs/dbraw/zinc/68/07/34/502680734.db2.gz WMGDFXKMBZKXFV-UHFFFAOYSA-N -1 3 372.450 3.288 20 0 FGADHM O=S(=O)([N-][C@@H]1[C@H]2Cc3ccccc3[C@@H]12)c1csc(-c2ccccc2)n1 ZINC000477144148 502690710 /nfs/dbraw/zinc/69/07/10/502690710.db2.gz LQDCQJRMLTUSOE-CGTJXYLNSA-N -1 3 368.483 3.427 20 0 FGADHM O=S(=O)([N-]Cc1ccc(-c2ccc(Cl)cc2)cc1F)c1c[nH]cn1 ZINC000480868599 502694291 /nfs/dbraw/zinc/69/42/91/502694291.db2.gz VRIWSJIZADZZED-UHFFFAOYSA-N -1 3 365.817 3.348 20 0 FGADHM Cc1ccnc([C@H]([N-]S(=O)(=O)Cc2ccc(Cl)c(F)c2)C2CC2)n1 ZINC000480880439 502696537 /nfs/dbraw/zinc/69/65/37/502696537.db2.gz WAEHBXFLHMAVHU-OAHLLOKOSA-N -1 3 369.849 3.148 20 0 FGADHM Cc1cc(Oc2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCO4)cc2)n[nH]1 ZINC000477169177 502697421 /nfs/dbraw/zinc/69/74/21/502697421.db2.gz YQHWINAZUSYLIK-UHFFFAOYSA-N -1 3 373.390 3.040 20 0 FGADHM COCc1cccc(NC(=O)Cc2ccc(Br)cc2[O-])c1 ZINC000477223798 502711826 /nfs/dbraw/zinc/71/18/26/502711826.db2.gz QLQOAAHNPSJYGN-UHFFFAOYSA-N -1 3 350.212 3.482 20 0 FGADHM O=C([N-]c1nc(-c2ccccc2)no1)c1nn(-c2ccccc2)c2c1CCC2 ZINC000588760384 506329848 /nfs/dbraw/zinc/32/98/48/506329848.db2.gz PZTZFCXACNHWRN-UHFFFAOYSA-N -1 3 371.400 3.085 20 0 FGADHM CO[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(-c3csc(C)n3)s2)C1(C)C ZINC000480992397 502721745 /nfs/dbraw/zinc/72/17/45/502721745.db2.gz OFOCLYUBQIJWLQ-OLZOCXBDSA-N -1 3 372.537 3.272 20 0 FGADHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)C1(CCOCc2ccccc2)CC1 ZINC000473850180 502723413 /nfs/dbraw/zinc/72/34/13/502723413.db2.gz NBVPTMFGARLJFU-KRWDZBQOSA-N -1 3 355.438 3.009 20 0 FGADHM Cc1ccc(C(=O)CCCCC(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)cc1 ZINC000473848920 502723444 /nfs/dbraw/zinc/72/34/44/502723444.db2.gz IGKFYZDDBHKGNS-GOSISDBHSA-N -1 3 355.438 3.373 20 0 FGADHM CC(C)(C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1)c1cccc(Cl)c1F ZINC000473854450 502726353 /nfs/dbraw/zinc/72/63/53/502726353.db2.gz GSVHYIHDZUJGQK-CYBMUJFWSA-N -1 3 351.809 3.392 20 0 FGADHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)C1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000473858153 502728272 /nfs/dbraw/zinc/72/82/72/502728272.db2.gz PXXWRVMPGGWOCF-CQSZACIVSA-N -1 3 365.355 3.372 20 0 FGADHM CCCCOc1cc(OC)ccc1C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000473858654 502728801 /nfs/dbraw/zinc/72/88/01/502728801.db2.gz WYFJWNZTCDAUFA-MRXNPFEDSA-N -1 3 359.426 3.123 20 0 FGADHM CC[C@@](C)([N-]S(=O)(=O)c1ccc(OC)cc1F)c1nc(C)cs1 ZINC000481051144 502741286 /nfs/dbraw/zinc/74/12/86/502741286.db2.gz BDNXIISWRFVZFJ-OAHLLOKOSA-N -1 3 358.460 3.203 20 0 FGADHM C[C@H]1CCc2c(C(=O)Nc3ccc(Cc4nnn[n-]4)cc3)csc2C1 ZINC000473901952 502744454 /nfs/dbraw/zinc/74/44/54/502744454.db2.gz JWZXUCJIRSFBTG-NSHDSACASA-N -1 3 353.451 3.229 20 0 FGADHM C[C@H]1CCc2c(C(=O)Nc3ccc(Cc4nn[n-]n4)cc3)csc2C1 ZINC000473901952 502744456 /nfs/dbraw/zinc/74/44/56/502744456.db2.gz JWZXUCJIRSFBTG-NSHDSACASA-N -1 3 353.451 3.229 20 0 FGADHM CSc1cccc(F)c1C(=O)Nc1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000466979628 502745921 /nfs/dbraw/zinc/74/59/21/502745921.db2.gz TUNVQPNXKSINCR-UHFFFAOYSA-N -1 3 372.418 3.311 20 0 FGADHM C[C@@H](Oc1ccc(F)cc1)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000488654964 502774995 /nfs/dbraw/zinc/77/49/95/502774995.db2.gz KZDQDMYPUGFGJX-SNVBAGLBSA-N -1 3 368.202 3.378 20 0 FGADHM Cc1cc(C)n([C@H](C)CC(=O)NCc2ccc([O-])c(Br)c2)n1 ZINC000488672795 502778181 /nfs/dbraw/zinc/77/81/81/502778181.db2.gz HVQZZDDUIXJOMC-GFCCVEGCSA-N -1 3 366.259 3.236 20 0 FGADHM C[C@@H]([C@H](C)NC(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1)C1CCCCC1 ZINC000481194517 502779826 /nfs/dbraw/zinc/77/98/26/502779826.db2.gz WFELPVSKFJQCLQ-IHRRRGAJSA-N -1 3 372.556 3.136 20 0 FGADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]C[C@@H]2CC[C@H](C)C2)cc1Cl ZINC000481227803 502790317 /nfs/dbraw/zinc/79/03/17/502790317.db2.gz KIZPZYLPPLEMTA-GXSJLCMTSA-N -1 3 362.854 3.152 20 0 FGADHM COC(=O)[C@H](CS(=O)(=O)[N-]c1ccc2[nH]c(C)cc2c1)c1ccccc1 ZINC000477526869 502798777 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CO[C@@H](CS(=O)(=O)[N-]c1cc(Cl)ccc1N1CCCCC1)C1CC1 ZINC000517027491 503647219 /nfs/dbraw/zinc/64/72/19/503647219.db2.gz RJBRUNZNPJVVES-KRWDZBQOSA-N -1 3 372.918 3.497 20 0 FGADHM Cc1c(NC(=O)c2cc([O-])ccc2Cl)cccc1N1C(=O)CCNC1=O ZINC000512866190 503647492 /nfs/dbraw/zinc/64/74/92/503647492.db2.gz XVSHVEBVEOFCOP-UHFFFAOYSA-N -1 3 373.796 3.053 20 0 FGADHM CCN=c1[n-]c(C(=O)N(C)[C@@H]2C[C@@H](OCC)C23CCCCC3)cs1 ZINC000495054668 503652825 /nfs/dbraw/zinc/65/28/25/503652825.db2.gz VVRVMVLURHMAHF-HUUCEWRRSA-N -1 3 351.516 3.197 20 0 FGADHM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-][C@@H](C)c1c(C)cccc1C ZINC000546176868 503657741 /nfs/dbraw/zinc/65/77/41/503657741.db2.gz PTJIBJTWGNEUMJ-ZDUSSCGKSA-N -1 3 365.426 3.269 20 0 FGADHM O=C([N-]c1ncn(Cc2ccccc2)n1)c1sccc1OC(F)F ZINC000517164111 503659511 /nfs/dbraw/zinc/65/95/11/503659511.db2.gz VUEWBKRCDFTZNR-UHFFFAOYSA-N -1 3 350.350 3.242 20 0 FGADHM CC[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1 ZINC000546183812 503661109 /nfs/dbraw/zinc/66/11/09/503661109.db2.gz AMOXUFOQLOMPMO-SNVBAGLBSA-N -1 3 373.780 3.136 20 0 FGADHM O=C(c1c[nH]c2ccccc21)[C@H](Sc1n[n-]c(CO)n1)c1ccccc1 ZINC000527059660 503662462 /nfs/dbraw/zinc/66/24/62/503662462.db2.gz AUTVMKZRPSVYJI-GOSISDBHSA-N -1 3 364.430 3.495 20 0 FGADHM OCc1nnc(Sc2nc(-c3cccc(Cl)c3)nc3c2CCCC3)[n-]1 ZINC000527065854 503665235 /nfs/dbraw/zinc/66/52/35/503665235.db2.gz NEWIBKFTWOBOSE-UHFFFAOYSA-N -1 3 373.869 3.437 20 0 FGADHM OCc1nc(Sc2nc(-c3cccc(Cl)c3)nc3c2CCCC3)n[n-]1 ZINC000527065854 503665240 /nfs/dbraw/zinc/66/52/40/503665240.db2.gz NEWIBKFTWOBOSE-UHFFFAOYSA-N -1 3 373.869 3.437 20 0 FGADHM O=C(N[C@H](C(=O)Nc1ccccc1)c1ccccc1)c1cccc2nn[n-]c21 ZINC000527108802 503682112 /nfs/dbraw/zinc/68/21/12/503682112.db2.gz QDKIYFXXYPAQDG-SFHVURJKSA-N -1 3 371.400 3.068 20 0 FGADHM O=C(N[C@H](C(=O)Nc1ccccc1)c1ccccc1)c1cccc2[n-]nnc21 ZINC000527108802 503682117 /nfs/dbraw/zinc/68/21/17/503682117.db2.gz QDKIYFXXYPAQDG-SFHVURJKSA-N -1 3 371.400 3.068 20 0 FGADHM O=C(N[C@H](C(=O)Nc1ccccc1)c1ccccc1)c1cccc2n[n-]nc21 ZINC000527108802 503682121 /nfs/dbraw/zinc/68/21/21/503682121.db2.gz QDKIYFXXYPAQDG-SFHVURJKSA-N -1 3 371.400 3.068 20 0 FGADHM CCc1cccc(C(=O)N[C@@H](c2nccn2C)c2ccccc2F)c1[O-] ZINC000536694099 503685358 /nfs/dbraw/zinc/68/53/58/503685358.db2.gz QMDHFAMMUUEGBT-QGZVFWFLSA-N -1 3 353.397 3.347 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@H]3CO[C@H](C)C3)cc2)cc1 ZINC000527126857 503690445 /nfs/dbraw/zinc/69/04/45/503690445.db2.gz KDRFTECIPUPLJS-HUUCEWRRSA-N -1 3 374.462 3.159 20 0 FGADHM C[C@H](CN1CCCCC1)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000527139624 503694925 /nfs/dbraw/zinc/69/49/25/503694925.db2.gz LWOFTSNVMGVHEY-SECBINFHSA-N -1 3 357.328 3.208 20 0 FGADHM C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)[N-]c1nncn1-c1cccnc1 ZINC000517257087 503695816 /nfs/dbraw/zinc/69/58/16/503695816.db2.gz XHGKJEWHWFBZDK-AWEZNQCLSA-N -1 3 365.437 3.366 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)CCOc3cccc(Cl)c3)[n-]c21 ZINC000533010377 503696919 /nfs/dbraw/zinc/69/69/19/503696919.db2.gz UCRVFDCQSSATDB-UHFFFAOYSA-N -1 3 373.796 3.411 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)CCOc3cccc(Cl)c3)nc21 ZINC000533010377 503696924 /nfs/dbraw/zinc/69/69/24/503696924.db2.gz UCRVFDCQSSATDB-UHFFFAOYSA-N -1 3 373.796 3.411 20 0 FGADHM Cc1cccc(C)c1Cc1nc(-c2ccc([N-]S(C)(=O)=O)cc2)no1 ZINC000546300572 503704359 /nfs/dbraw/zinc/70/43/59/503704359.db2.gz ZBLZSMAAVBUJPA-UHFFFAOYSA-N -1 3 357.435 3.316 20 0 FGADHM Cc1ncc(CNC(=O)c2cccc(OCc3cccs3)c2)c(=O)[n-]1 ZINC000543311726 503720700 /nfs/dbraw/zinc/72/07/00/503720700.db2.gz QHJLTFISWYGKKS-UHFFFAOYSA-N -1 3 355.419 3.061 20 0 FGADHM Cc1ncc(CNC(=O)C[C@H](C)c2ccc(C(F)(F)F)cc2)c(=O)[n-]1 ZINC000543318568 503724026 /nfs/dbraw/zinc/72/40/26/503724026.db2.gz VIMMXMJCUBBXLM-JTQLQIEISA-N -1 3 353.344 3.319 20 0 FGADHM Cc1ncc(CNC(=O)Nc2cccc(COC(C)(C)C)c2C)c(=O)[n-]1 ZINC000543325809 503725524 /nfs/dbraw/zinc/72/55/24/503725524.db2.gz DYKLROQUECKOPC-UHFFFAOYSA-N -1 3 358.442 3.436 20 0 FGADHM O=C(Nc1cnc2c(c1)CCCC2)c1c[n-]nc1-c1ccc2c(c1)OCO2 ZINC000543327511 503726069 /nfs/dbraw/zinc/72/60/69/503726069.db2.gz RVOSVXAXYJTFNA-UHFFFAOYSA-N -1 3 362.389 3.332 20 0 FGADHM COc1ccc(CN2CC[C@H]2CNC(=O)c2cc([O-])ccc2Cl)cc1 ZINC000529838013 503728367 /nfs/dbraw/zinc/72/83/67/503728367.db2.gz YYSCUCNXJDRSQL-AWEZNQCLSA-N -1 3 360.841 3.059 20 0 FGADHM Cc1cc(C)c2ncc(C(=O)[O-])c(N3CCCc4c(cnn4C)C3)c2c1 ZINC000517377647 503729934 /nfs/dbraw/zinc/72/99/34/503729934.db2.gz LDKKBEMANDBFJD-UHFFFAOYSA-N -1 3 350.422 3.236 20 0 FGADHM Cc1ncc(CNC(=O)N[C@H](C)c2ccc(-c3ccncc3)cc2)c(=O)[n-]1 ZINC000543364750 503740034 /nfs/dbraw/zinc/74/00/34/503740034.db2.gz YEAMUBHBCSOIMX-CYBMUJFWSA-N -1 3 363.421 3.113 20 0 FGADHM CC[C@H](Oc1ccccc1C(C)C)C(=O)N1CCc2nc[n-]c(=O)c2C1 ZINC000527257775 503741778 /nfs/dbraw/zinc/74/17/78/503741778.db2.gz BQJMPBCVGJKUOU-KRWDZBQOSA-N -1 3 355.438 3.048 20 0 FGADHM CCCc1c(C(=O)Nc2nnc(-c3ccccn3)[n-]2)cnn1C1CCCC1 ZINC000543375184 503743833 /nfs/dbraw/zinc/74/38/33/503743833.db2.gz XERFJRSFMOPZPO-UHFFFAOYSA-N -1 3 365.441 3.383 20 0 FGADHM CCCc1c(C(=O)Nc2nc(-c3ccccn3)n[n-]2)cnn1C1CCCC1 ZINC000543375184 503743839 /nfs/dbraw/zinc/74/38/39/503743839.db2.gz XERFJRSFMOPZPO-UHFFFAOYSA-N -1 3 365.441 3.383 20 0 FGADHM CCCc1c(C(=O)Nc2n[n-]c(-c3ccccn3)n2)cnn1C1CCCC1 ZINC000543375184 503743847 /nfs/dbraw/zinc/74/38/47/503743847.db2.gz XERFJRSFMOPZPO-UHFFFAOYSA-N -1 3 365.441 3.383 20 0 FGADHM CC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)OC)oc1C)c1ccc(C)cc1 ZINC000533175466 503749103 /nfs/dbraw/zinc/74/91/03/503749103.db2.gz XXHGISQKZNQXOB-CQSZACIVSA-N -1 3 351.424 3.113 20 0 FGADHM O=S(=O)([N-]CC1(Sc2ccccc2)CC1)c1cncc(Cl)c1 ZINC000533174429 503749429 /nfs/dbraw/zinc/74/94/29/503749429.db2.gz IUEXNLVKCKBWMC-UHFFFAOYSA-N -1 3 354.884 3.338 20 0 FGADHM COc1ccccc1SC[C@@H](C)C[N-]S(=O)(=O)c1cnc(C)s1 ZINC000533174497 503749782 /nfs/dbraw/zinc/74/97/82/503749782.db2.gz MWQKNQSJZMCEEE-NSHDSACASA-N -1 3 372.537 3.167 20 0 FGADHM Cc1nc(-c2ccc(NC(=O)N3C[C@@H](C4CC4)O[C@@H](C)C3)cc2)cc(=O)[n-]1 ZINC000527281136 503751041 /nfs/dbraw/zinc/75/10/41/503751041.db2.gz WYLCRVRTVFEGBJ-SGTLLEGYSA-N -1 3 368.437 3.189 20 0 FGADHM COc1cc(C(=O)N2CCC[C@@]3(CCc4ccccc4O3)C2)ccc1[O-] ZINC000529907609 503753064 /nfs/dbraw/zinc/75/30/64/503753064.db2.gz XOEHRIVPUJFHBQ-OAQYLSRUSA-N -1 3 353.418 3.401 20 0 FGADHM Cc1cc2c(ncnc2N2CCC[C@H]2C(=O)Nc2cc(F)ccc2[O-])s1 ZINC000533222228 503765754 /nfs/dbraw/zinc/76/57/54/503765754.db2.gz GZKPZPGLRLGZBN-AWEZNQCLSA-N -1 3 372.425 3.452 20 0 FGADHM CN(Cc1cc(Br)cs1)C(=O)c1cccc2nn[n-]c21 ZINC000527366196 503778541 /nfs/dbraw/zinc/77/85/41/503778541.db2.gz CGVVNIQRUZKQID-UHFFFAOYSA-N -1 3 351.229 3.054 20 0 FGADHM CC(C)(CNC(=O)c1cccc2nn[n-]c21)c1ccccc1Br ZINC000527361259 503777142 /nfs/dbraw/zinc/77/71/42/503777142.db2.gz HGQVBJXVDCMWFN-UHFFFAOYSA-N -1 3 373.254 3.428 20 0 FGADHM CC(C)(CNC(=O)c1cccc2[n-]nnc21)c1ccccc1Br ZINC000527361259 503777147 /nfs/dbraw/zinc/77/71/47/503777147.db2.gz HGQVBJXVDCMWFN-UHFFFAOYSA-N -1 3 373.254 3.428 20 0 FGADHM CC(C)(CNC(=O)c1cccc2n[n-]nc21)c1ccccc1Br ZINC000527361259 503777153 /nfs/dbraw/zinc/77/71/53/503777153.db2.gz HGQVBJXVDCMWFN-UHFFFAOYSA-N -1 3 373.254 3.428 20 0 FGADHM CN(Cc1cc(Br)cs1)C(=O)c1cccc2n[n-]nc21 ZINC000527366196 503778549 /nfs/dbraw/zinc/77/85/49/503778549.db2.gz CGVVNIQRUZKQID-UHFFFAOYSA-N -1 3 351.229 3.054 20 0 FGADHM CN(Cc1cc(Br)cs1)C(=O)c1cccc2[n-]nnc21 ZINC000527366196 503778537 /nfs/dbraw/zinc/77/85/37/503778537.db2.gz CGVVNIQRUZKQID-UHFFFAOYSA-N -1 3 351.229 3.054 20 0 FGADHM C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NC(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000529984231 503780546 /nfs/dbraw/zinc/78/05/46/503780546.db2.gz UROCWLSGBGRBDU-PJHJGJPPSA-N -1 3 353.418 3.165 20 0 FGADHM O=C(Cc1cccs1)N1CCC[C@@H]1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000517603467 503783114 /nfs/dbraw/zinc/78/31/14/503783114.db2.gz XFOOFOCBDOLPPQ-CQSZACIVSA-N -1 3 364.854 3.279 20 0 FGADHM C[C@H](CCO)C1(C[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)CCC1 ZINC000540482364 503785314 /nfs/dbraw/zinc/78/53/14/503785314.db2.gz IZXXLULIYCSLBM-LLVKDONJSA-N -1 3 366.310 3.461 20 0 FGADHM Cn1[n-]c(CN[C@@H](CCCCc2ccccc2)c2ccccc2)nc1=O ZINC000543473089 503785845 /nfs/dbraw/zinc/78/58/45/503785845.db2.gz WAWUTDDTGASBCJ-IBGZPJMESA-N -1 3 350.466 3.352 20 0 FGADHM Cc1cccc(OCCCNC(=O)c2c[n-]nc2-c2ccccn2)c1C ZINC000517635081 503791140 /nfs/dbraw/zinc/79/11/40/503791140.db2.gz YMKLEPCJMHQPJS-UHFFFAOYSA-N -1 3 350.422 3.287 20 0 FGADHM CO[C@H](c1ccccc1F)[C@@H](C)NC(=O)NCc1ccc([O-])c(F)c1 ZINC000540499563 503794787 /nfs/dbraw/zinc/79/47/87/503794787.db2.gz IQOICIGQBKJTSY-DIFFPNOSSA-N -1 3 350.365 3.246 20 0 FGADHM CO[C@@H]1[C@@H](C)[C@@H](NC(=O)NCc2ccc([O-])c(Br)c2)C1(C)C ZINC000540500379 503794938 /nfs/dbraw/zinc/79/49/38/503794938.db2.gz WOTIKOWLLODEJY-CUOATXAZSA-N -1 3 371.275 3.013 20 0 FGADHM CCCS(=O)(=O)[N-]c1cc(NC(=O)CSC(C)C)c(F)cc1F ZINC000517669859 503801955 /nfs/dbraw/zinc/80/19/55/503801955.db2.gz NEOXJGYXQFBULG-UHFFFAOYSA-N -1 3 366.455 3.197 20 0 FGADHM 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503816744 /nfs/dbraw/zinc/81/67/44/503816744.db2.gz SEESAKCFKQJGDT-BMGDILEWSA-N -1 3 356.809 3.072 20 0 FGADHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1c(F)cccc1Sc1ccccc1 ZINC000546645751 503822070 /nfs/dbraw/zinc/82/20/70/503822070.db2.gz NPVGTXAHRQTFKS-AWEZNQCLSA-N -1 3 371.437 3.219 20 0 FGADHM CCOc1cccc2cc([C@H](C)[N-]S(=O)(=O)Cc3cc(C)on3)oc21 ZINC000537164358 503823731 /nfs/dbraw/zinc/82/37/31/503823731.db2.gz VOVSDOIODIVQCV-LBPRGKRZSA-N -1 3 364.423 3.309 20 0 FGADHM Cc1cc(C)c(-c2cc(=NC(=O)C(=O)c3ccc(F)cc3)[nH][n-]2)cc1C ZINC000543618018 503828837 /nfs/dbraw/zinc/82/88/37/503828837.db2.gz JCYBACNYFYNKMV-UHFFFAOYSA-N -1 3 351.381 3.384 20 0 FGADHM COCCc1ccccc1[N-]S(=O)(=O)C[C@@H](OC)c1ccc(F)cc1 ZINC000530137373 503850406 /nfs/dbraw/zinc/85/04/06/503850406.db2.gz OFNZZYWMPGYABQ-GOSISDBHSA-N -1 3 367.442 3.144 20 0 FGADHM O=S(=O)([N-]Cc1cc(Cl)cc2c1OCC2)c1ccc(F)cc1F ZINC000543686089 503852539 /nfs/dbraw/zinc/85/25/39/503852539.db2.gz ZAUKXRIVKWKBKA-UHFFFAOYSA-N -1 3 359.781 3.032 20 0 FGADHM 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/nfs/dbraw/zinc/96/64/88/503966488.db2.gz ZDQVTHPMBKBMCP-UHFFFAOYSA-N -1 3 364.452 3.102 20 0 FGADHM O=S(=O)([N-]Cc1cccs1)c1cccc(Br)c1F ZINC000544000627 503966973 /nfs/dbraw/zinc/96/69/73/503966973.db2.gz XXRJHPFXBAGLJO-UHFFFAOYSA-N -1 3 350.234 3.128 20 0 FGADHM CO[C@@H](C[N-]S(=O)(=O)c1cccc(C)c1F)c1ccc(Cl)cc1 ZINC000541014647 503975075 /nfs/dbraw/zinc/97/50/75/503975075.db2.gz KOOAUDSLCIYSSG-AWEZNQCLSA-N -1 3 357.834 3.454 20 0 FGADHM C[C@H](CC(=O)c1ccccc1)[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000533885001 503980062 /nfs/dbraw/zinc/98/00/62/503980062.db2.gz PSGGZYWGWSSEBD-LLVKDONJSA-N -1 3 355.818 3.419 20 0 FGADHM Cc1cc(C)cc(-c2noc(CCn3[n-]c(=O)c4ccccc4c3=O)n2)c1 ZINC000547101776 503983671 /nfs/dbraw/zinc/98/36/71/503983671.db2.gz XISMBGBSEFUICG-UHFFFAOYSA-N -1 3 362.389 3.012 20 0 FGADHM Cc1nc(-c2ccc(NC(=O)N[C@]3(C)CCO[C@H]3C3CC3)cc2)cc(=O)[n-]1 ZINC000544077882 503998801 /nfs/dbraw/zinc/99/88/01/503998801.db2.gz AWHDEKBSEBSRLI-AZUAARDMSA-N -1 3 368.437 3.237 20 0 FGADHM 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/nfs/dbraw/zinc/09/11/38/504091138.db2.gz UGPPNWLEZJUZHY-SFHVURJKSA-N -1 3 368.433 3.125 20 0 FGADHM CC(C)Cc1nnc(NC(=O)c2c[n-]nc2-c2ccc3c(c2)OCO3)s1 ZINC000544331588 504091460 /nfs/dbraw/zinc/09/14/60/504091460.db2.gz ACQVBMSHIGFKLX-UHFFFAOYSA-N -1 3 371.422 3.108 20 0 FGADHM COc1cc2c(cc1F)[n-]cc(C(=O)Nc1ccc3nc(C)oc3c1)c2=O ZINC000537953673 504094621 /nfs/dbraw/zinc/09/46/21/504094621.db2.gz DDEKGPXAUHZXHS-UHFFFAOYSA-N -1 3 367.336 3.378 20 0 FGADHM COc1ccc([C@H](OC)[C@@H](C)NC(=O)Cc2ccc([O-])cc2Cl)cc1 ZINC000537964727 504096781 /nfs/dbraw/zinc/09/67/81/504096781.db2.gz BMTZEPFZKKABKV-CWTRNNRKSA-N -1 3 363.841 3.489 20 0 FGADHM C[C@@]1(c2cccc(-c3noc(C=Cc4ccsc4)n3)c2)NC(=O)[N-]C1=O ZINC000544377666 504108590 /nfs/dbraw/zinc/10/85/90/504108590.db2.gz AWJDLOSRNAVOFZ-QWNKOJSDSA-N -1 3 366.402 3.023 20 0 FGADHM COc1cccc(Oc2ncccc2C[N-]S(=O)(=O)c2ccc(C)o2)c1 ZINC000538006214 504110223 /nfs/dbraw/zinc/11/02/23/504110223.db2.gz KKRJTARVHDDIIW-UHFFFAOYSA-N -1 3 374.418 3.262 20 0 FGADHM 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Cc1cc(C(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)c(C)n1C[C@@H]1CCCOC1 ZINC000628031894 523282271 /nfs/dbraw/zinc/28/22/71/523282271.db2.gz AXSPYGOVTGFJSV-MAUKXSAKSA-N -1 3 372.469 3.358 20 0 FGADHM CCN1CCO[C@H](C(=O)N=c2cc(-c3cc(Cl)cc(Cl)c3)[n-][nH]2)C1 ZINC000493958952 561460003 /nfs/dbraw/zinc/46/00/03/561460003.db2.gz XRNKIQQRLCUWIL-AWEZNQCLSA-N -1 3 369.252 3.043 20 0 FGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)c1ccc2c(c1)OCO2 ZINC000511332830 561865671 /nfs/dbraw/zinc/86/56/71/561865671.db2.gz KORBCNOYLPQBPD-UHFFFAOYSA-N -1 3 360.167 3.078 20 0 FGADHM Cc1c(C(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)cnn1Cc1ccccc1 ZINC000527499716 562290231 /nfs/dbraw/zinc/29/02/31/562290231.db2.gz UCWGOFRHWSLSAS-QGZVFWFLSA-N -1 3 351.410 3.067 20 0 FGADHM COc1ccc(CC(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)cc1OC(F)F ZINC000529522132 562376251 /nfs/dbraw/zinc/37/62/51/562376251.db2.gz SJAXFYKNQJDCNR-GFCCVEGCSA-N -1 3 367.352 3.052 20 0 FGADHM CCOC(=O)c1ncc(NC(=O)COc2ccccc2-c2ccccc2)[n-]1 ZINC000617876613 568139065 /nfs/dbraw/zinc/13/90/65/568139065.db2.gz XAGAMXVUVMIOKQ-UHFFFAOYSA-N -1 3 365.389 3.271 20 0 FGADHM CCOC(=O)c1nc(NC(=O)COc2ccccc2-c2ccccc2)c[n-]1 ZINC000617876613 568139067 /nfs/dbraw/zinc/13/90/67/568139067.db2.gz XAGAMXVUVMIOKQ-UHFFFAOYSA-N -1 3 365.389 3.271 20 0 FGADHM Cc1cnc([C@@H]([N-]S(=O)(=O)c2ccc3c(c2)C(=O)CC3)C2CC2)s1 ZINC000655526331 568152876 /nfs/dbraw/zinc/15/28/76/568152876.db2.gz NVLNUCWXHUGTFT-INIZCTEOSA-N -1 3 362.476 3.010 20 0 FGADHM O=C([O-])[C@@H]1CN(CCC(=O)Nc2ccccc2Cl)Cc2ccccc21 ZINC000327187040 568236320 /nfs/dbraw/zinc/23/63/20/568236320.db2.gz CJFIBEKEUIMCIQ-OAHLLOKOSA-N -1 3 358.825 3.353 20 0 FGADHM C[C@@H]1CN(C(=O)c2ccc3[nH][n-]c(=O)c3c2)C[C@H](c2ccc(F)cc2)O1 ZINC000669182057 568308897 /nfs/dbraw/zinc/30/88/97/568308897.db2.gz DUKHJGDEGIXHPA-PIGZYNQJSA-N -1 3 355.369 3.010 20 0 FGADHM COCc1csc(CNC(=O)Cc2ccc(Br)cc2[O-])c1 ZINC000618533364 568382927 /nfs/dbraw/zinc/38/29/27/568382927.db2.gz ZAMWCVBANGROSB-UHFFFAOYSA-N -1 3 370.268 3.222 20 0 FGADHM O=C(c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)N1CC(C2CC2)C1 ZINC000643287066 568533423 /nfs/dbraw/zinc/53/34/23/568533423.db2.gz WPBRRURZEAXXKO-UHFFFAOYSA-N -1 3 374.437 3.109 20 0 FGADHM Clc1ccc(Oc2ccc(Nc3ccc(-c4nnn[n-]4)cn3)cc2)nn1 ZINC000737574830 598830563 /nfs/dbraw/zinc/83/05/63/598830563.db2.gz UGULOQXRDNNAOC-UHFFFAOYSA-N -1 3 366.772 3.241 20 0 FGADHM Clc1ccc(Oc2ccc(Nc3ccc(-c4nn[n-]n4)cn3)cc2)nn1 ZINC000737574830 598830565 /nfs/dbraw/zinc/83/05/65/598830565.db2.gz UGULOQXRDNNAOC-UHFFFAOYSA-N -1 3 366.772 3.241 20 0 FGADHM C[C@@]1(c2ccccc2)CCCN(C(=O)Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC000736230469 598838628 /nfs/dbraw/zinc/83/86/28/598838628.db2.gz RJUOUQAMBMWZTC-HXUWFJFHSA-N -1 3 362.437 3.452 20 0 FGADHM C[C@@]1(c2ccccc2)CCCN(C(=O)Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC000736230469 598838629 /nfs/dbraw/zinc/83/86/29/598838629.db2.gz RJUOUQAMBMWZTC-HXUWFJFHSA-N -1 3 362.437 3.452 20 0 FGADHM CCC/C(C)=C/C(=O)Nc1c(C)c(C)nn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000736421210 598839292 /nfs/dbraw/zinc/83/92/92/598839292.db2.gz ZSQDVZPNQZIXGK-VAWYXSNFSA-N -1 3 365.441 3.354 20 0 FGADHM O=C(O[C@H]1C=CCCC1)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000738214997 598845626 /nfs/dbraw/zinc/84/56/26/598845626.db2.gz PAHBWXCWLIIZOU-HNNXBMFYSA-N -1 3 366.377 3.304 20 0 FGADHM CC(=O)Nc1ccc(NC(=O)Nc2cc(-c3nnn[n-]3)ccc2C)cc1C ZINC000735489352 598850210 /nfs/dbraw/zinc/85/02/10/598850210.db2.gz XCJXNPFEMVJLFE-UHFFFAOYSA-N -1 3 365.397 3.086 20 0 FGADHM CC(=O)Nc1ccc(NC(=O)Nc2cc(-c3nn[n-]n3)ccc2C)cc1C ZINC000735489352 598850212 /nfs/dbraw/zinc/85/02/12/598850212.db2.gz XCJXNPFEMVJLFE-UHFFFAOYSA-N -1 3 365.397 3.086 20 0 FGADHM COc1ccnc(NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)n1 ZINC000737160140 598853866 /nfs/dbraw/zinc/85/38/66/598853866.db2.gz TYORCDWYDWRONM-UHFFFAOYSA-N -1 3 365.422 3.006 20 0 FGADHM Clc1ccccc1-c1noc(CCc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737585064 598860109 /nfs/dbraw/zinc/86/01/09/598860109.db2.gz XVIQZFQUYPUQAR-UHFFFAOYSA-N -1 3 352.785 3.355 20 0 FGADHM c1ccc2c(c1)CCC[C@H]2OCCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000738441637 598870262 /nfs/dbraw/zinc/87/02/62/598870262.db2.gz LPHUPVDCAXWXGV-QGZVFWFLSA-N -1 3 350.426 3.158 20 0 FGADHM c1ccc2c(c1)CCC[C@H]2OCCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000738441637 598870264 /nfs/dbraw/zinc/87/02/64/598870264.db2.gz LPHUPVDCAXWXGV-QGZVFWFLSA-N -1 3 350.426 3.158 20 0 FGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H](C)C1CCCC1 ZINC000735905617 598879083 /nfs/dbraw/zinc/87/90/83/598879083.db2.gz MDIKXNNRKOVKMS-GFCCVEGCSA-N -1 3 358.446 3.354 20 0 FGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H](C)C1CCCC1 ZINC000735905617 598879084 /nfs/dbraw/zinc/87/90/84/598879084.db2.gz MDIKXNNRKOVKMS-GFCCVEGCSA-N -1 3 358.446 3.354 20 0 FGADHM Cc1cc(OC(F)F)c(C(=O)Nc2sccc2-c2nnn[n-]2)s1 ZINC000737278991 598903695 /nfs/dbraw/zinc/90/36/95/598903695.db2.gz MQBICHLNYSAOSV-UHFFFAOYSA-N -1 3 357.367 3.152 20 0 FGADHM Cc1cc(OC(F)F)c(C(=O)Nc2sccc2-c2nn[n-]n2)s1 ZINC000737278991 598903696 /nfs/dbraw/zinc/90/36/96/598903696.db2.gz MQBICHLNYSAOSV-UHFFFAOYSA-N -1 3 357.367 3.152 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NCC1(c2cccc(F)c2)CC1 ZINC000737294459 598905994 /nfs/dbraw/zinc/90/59/94/598905994.db2.gz PDEMUOSXTJKQSB-UHFFFAOYSA-N -1 3 366.400 3.168 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NCC1(c2cccc(F)c2)CC1 ZINC000737294459 598905995 /nfs/dbraw/zinc/90/59/95/598905995.db2.gz PDEMUOSXTJKQSB-UHFFFAOYSA-N -1 3 366.400 3.168 20 0 FGADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCC(C)(C)c1cccs1 ZINC000736820855 598921695 /nfs/dbraw/zinc/92/16/95/598921695.db2.gz QMUIAGZXTYKQNL-UHFFFAOYSA-N -1 3 370.482 3.047 20 0 FGADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCC(C)(C)c1cccs1 ZINC000736820855 598921696 /nfs/dbraw/zinc/92/16/96/598921696.db2.gz QMUIAGZXTYKQNL-UHFFFAOYSA-N -1 3 370.482 3.047 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N(C)[C@H]1CCc2ccccc2C1 ZINC000737292040 598923340 /nfs/dbraw/zinc/92/33/40/598923340.db2.gz QLNIDRQIEFPQGY-KRWDZBQOSA-N -1 3 362.437 3.196 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N(C)[C@H]1CCc2ccccc2C1 ZINC000737292040 598923342 /nfs/dbraw/zinc/92/33/42/598923342.db2.gz QLNIDRQIEFPQGY-KRWDZBQOSA-N -1 3 362.437 3.196 20 0 FGADHM Cc1cc(OC(F)F)c(C(=O)OCc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000737278616 598923420 /nfs/dbraw/zinc/92/34/20/598923420.db2.gz KJIJFSPEERSJOJ-UHFFFAOYSA-N -1 3 366.349 3.195 20 0 FGADHM Cc1cc(OC(F)F)c(C(=O)OCc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000737278616 598923422 /nfs/dbraw/zinc/92/34/22/598923422.db2.gz KJIJFSPEERSJOJ-UHFFFAOYSA-N -1 3 366.349 3.195 20 0 FGADHM CC1CCC(=CC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)CC1 ZINC000736237787 598925604 /nfs/dbraw/zinc/92/56/04/598925604.db2.gz PRTVZNNWBBATIO-UHFFFAOYSA-N -1 3 351.454 3.494 20 0 FGADHM CC1CCC(=CC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)CC1 ZINC000736237787 598925605 /nfs/dbraw/zinc/92/56/05/598925605.db2.gz PRTVZNNWBBATIO-UHFFFAOYSA-N -1 3 351.454 3.494 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OCCOc1cc(Cl)ccc1F ZINC000737031700 598939520 /nfs/dbraw/zinc/93/95/20/598939520.db2.gz DTEGHOVLHMEOGD-UHFFFAOYSA-N -1 3 364.764 3.126 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OCCOc1cc(Cl)ccc1F ZINC000737031700 598939522 /nfs/dbraw/zinc/93/95/22/598939522.db2.gz DTEGHOVLHMEOGD-UHFFFAOYSA-N -1 3 364.764 3.126 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)NC1(c2cccc(Cl)c2)CC1 ZINC000737797105 598946015 /nfs/dbraw/zinc/94/60/15/598946015.db2.gz IKKOJQAPAFOQNW-HJWRWDBZSA-N -1 3 365.824 3.339 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)NC1(c2cccc(Cl)c2)CC1 ZINC000737797105 598946016 /nfs/dbraw/zinc/94/60/16/598946016.db2.gz IKKOJQAPAFOQNW-HJWRWDBZSA-N -1 3 365.824 3.339 20 0 FGADHM CCc1cnc(NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)s1 ZINC000821499633 599297393 /nfs/dbraw/zinc/29/73/93/599297393.db2.gz NZNQNAXAGUKNQI-UHFFFAOYSA-N -1 3 371.470 3.328 20 0 FGADHM CCc1cnc(NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)s1 ZINC000821499633 599297395 /nfs/dbraw/zinc/29/73/95/599297395.db2.gz NZNQNAXAGUKNQI-UHFFFAOYSA-N -1 3 371.470 3.328 20 0 FGADHM Cc1c(COC(=O)COc2ccccc2-c2nnn[n-]2)oc2ccccc12 ZINC000737215537 598974579 /nfs/dbraw/zinc/97/45/79/598974579.db2.gz LHPJMFUXMYXBEG-UHFFFAOYSA-N -1 3 364.361 3.044 20 0 FGADHM Cc1c(COC(=O)COc2ccccc2-c2nn[n-]n2)oc2ccccc12 ZINC000737215537 598974581 /nfs/dbraw/zinc/97/45/81/598974581.db2.gz LHPJMFUXMYXBEG-UHFFFAOYSA-N -1 3 364.361 3.044 20 0 FGADHM Cc1c(NCC(=O)N[C@@H](C)c2ccccc2Cl)cccc1-c1nnn[n-]1 ZINC000822116694 607256601 /nfs/dbraw/zinc/25/66/01/607256601.db2.gz WIVGBDYQBYAMMN-LBPRGKRZSA-N -1 3 370.844 3.118 20 0 FGADHM Cc1c(NCC(=O)N[C@@H](C)c2ccccc2Cl)cccc1-c1nn[n-]n1 ZINC000822116694 607256602 /nfs/dbraw/zinc/25/66/02/607256602.db2.gz WIVGBDYQBYAMMN-LBPRGKRZSA-N -1 3 370.844 3.118 20 0 FGADHM CC[C@H](C)c1ccccc1OS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000736326348 598994328 /nfs/dbraw/zinc/99/43/28/598994328.db2.gz IMQYQMUFFVGGDV-LBPRGKRZSA-N -1 3 372.450 3.456 20 0 FGADHM CC[C@H](C)c1ccccc1OS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000736326348 598994329 /nfs/dbraw/zinc/99/43/29/598994329.db2.gz IMQYQMUFFVGGDV-LBPRGKRZSA-N -1 3 372.450 3.456 20 0 FGADHM O=C(C[C@@H]1CCc2ccccc21)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000737817559 599016418 /nfs/dbraw/zinc/01/64/18/599016418.db2.gz CAXJEOGLBBKNLQ-LBPRGKRZSA-N -1 3 365.462 3.476 20 0 FGADHM O=C(C[C@@H]1CCc2ccccc21)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000737817559 599016421 /nfs/dbraw/zinc/01/64/21/599016421.db2.gz CAXJEOGLBBKNLQ-LBPRGKRZSA-N -1 3 365.462 3.476 20 0 FGADHM Cc1cccc([C@H](C)NC(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)c1C ZINC000737390773 599018778 /nfs/dbraw/zinc/01/87/78/599018778.db2.gz VIBPAVAEHDSBNH-GJZGRUSLSA-N -1 3 365.437 3.128 20 0 FGADHM Cc1cccc([C@H](C)NC(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)c1C ZINC000737390773 599018780 /nfs/dbraw/zinc/01/87/80/599018780.db2.gz VIBPAVAEHDSBNH-GJZGRUSLSA-N -1 3 365.437 3.128 20 0 FGADHM CCc1ccc(-c2noc(CNc3cccc(-c4nnn[n-]4)c3C)n2)cc1 ZINC000821476673 607257241 /nfs/dbraw/zinc/25/72/41/607257241.db2.gz QWIJRLVCOXNXEV-UHFFFAOYSA-N -1 3 361.409 3.400 20 0 FGADHM CCc1ccc(-c2noc(CNc3cccc(-c4nn[n-]n4)c3C)n2)cc1 ZINC000821476673 607257242 /nfs/dbraw/zinc/25/72/42/607257242.db2.gz QWIJRLVCOXNXEV-UHFFFAOYSA-N -1 3 361.409 3.400 20 0 FGADHM O[C@H](CNc1ccc(Cl)cc1-c1nnn[n-]1)c1c(F)cccc1Cl ZINC000738381918 599045092 /nfs/dbraw/zinc/04/50/92/599045092.db2.gz IYQYKBRRHYIJOZ-CYBMUJFWSA-N -1 3 368.199 3.458 20 0 FGADHM O[C@H](CNc1ccc(Cl)cc1-c1nn[n-]n1)c1c(F)cccc1Cl ZINC000738381918 599045095 /nfs/dbraw/zinc/04/50/95/599045095.db2.gz IYQYKBRRHYIJOZ-CYBMUJFWSA-N -1 3 368.199 3.458 20 0 FGADHM O[C@@H](CNc1cc(Cl)ccc1-c1nnn[n-]1)c1c(F)cccc1Cl ZINC000738381027 599045107 /nfs/dbraw/zinc/04/51/07/599045107.db2.gz FSCOKKVGYKTYOQ-ZDUSSCGKSA-N -1 3 368.199 3.458 20 0 FGADHM O[C@@H](CNc1cc(Cl)ccc1-c1nn[n-]n1)c1c(F)cccc1Cl ZINC000738381027 599045110 /nfs/dbraw/zinc/04/51/10/599045110.db2.gz FSCOKKVGYKTYOQ-ZDUSSCGKSA-N -1 3 368.199 3.458 20 0 FGADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(N2CC[C@@H](c3ccccc3)C2)n1 ZINC000737631497 599050090 /nfs/dbraw/zinc/05/00/90/599050090.db2.gz FFBWWSOKQAUJKM-GFCCVEGCSA-N -1 3 360.343 3.274 20 0 FGADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(N2CC[C@@H](c3ccccc3)C2)n1 ZINC000737631497 599050094 /nfs/dbraw/zinc/05/00/94/599050094.db2.gz FFBWWSOKQAUJKM-GFCCVEGCSA-N -1 3 360.343 3.274 20 0 FGADHM Cc1noc(C)c1[C@@H](C)Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000737535475 599057954 /nfs/dbraw/zinc/05/79/54/599057954.db2.gz AKSNYJRBGARICD-ZCFIWIBFSA-N -1 3 353.308 3.058 20 0 FGADHM Cc1noc(C)c1[C@@H](C)Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000737535475 599057956 /nfs/dbraw/zinc/05/79/56/599057956.db2.gz AKSNYJRBGARICD-ZCFIWIBFSA-N -1 3 353.308 3.058 20 0 FGADHM C[C@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(=O)N(C)C1CCCCC1 ZINC000736190053 599062773 /nfs/dbraw/zinc/06/27/73/599062773.db2.gz FIKJZLKVTIVZRE-NSHDSACASA-N -1 3 363.462 3.278 20 0 FGADHM C[C@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(=O)N(C)C1CCCCC1 ZINC000736190053 599062775 /nfs/dbraw/zinc/06/27/75/599062775.db2.gz FIKJZLKVTIVZRE-NSHDSACASA-N -1 3 363.462 3.278 20 0 FGADHM Cc1c(NCc2nc(-c3cccc(Cl)c3)no2)cccc1-c1nnn[n-]1 ZINC000822121244 607258126 /nfs/dbraw/zinc/25/81/26/607258126.db2.gz BWGICEDTRVCAKH-UHFFFAOYSA-N -1 3 367.800 3.491 20 0 FGADHM Cc1c(NCc2nc(-c3cccc(Cl)c3)no2)cccc1-c1nn[n-]n1 ZINC000822121244 607258127 /nfs/dbraw/zinc/25/81/27/607258127.db2.gz BWGICEDTRVCAKH-UHFFFAOYSA-N -1 3 367.800 3.491 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1c(F)cccc1F ZINC000736481786 599070812 /nfs/dbraw/zinc/07/08/12/599070812.db2.gz UYMKWLSUJWQAMR-UHFFFAOYSA-N -1 3 357.364 3.197 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1c(F)cccc1F ZINC000736481786 599070815 /nfs/dbraw/zinc/07/08/15/599070815.db2.gz UYMKWLSUJWQAMR-UHFFFAOYSA-N -1 3 357.364 3.197 20 0 FGADHM COc1ccc(O[C@@H](C)CNc2cc(Cl)ccc2-c2nnn[n-]2)cc1 ZINC000821838484 599075158 /nfs/dbraw/zinc/07/51/58/599075158.db2.gz OCKCADOYUIUPGR-NSHDSACASA-N -1 3 359.817 3.408 20 0 FGADHM COc1ccc(O[C@@H](C)CNc2cc(Cl)ccc2-c2nn[n-]n2)cc1 ZINC000821838484 599075160 /nfs/dbraw/zinc/07/51/60/599075160.db2.gz OCKCADOYUIUPGR-NSHDSACASA-N -1 3 359.817 3.408 20 0 FGADHM CC[C@@](C)(NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1nc(C)cs1 ZINC000736313756 599088366 /nfs/dbraw/zinc/08/83/66/599088366.db2.gz JLJYWACRFCJHNO-QZEKMECESA-N -1 3 368.466 3.086 20 0 FGADHM CC[C@@](C)(NC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1nc(C)cs1 ZINC000736313756 599088368 /nfs/dbraw/zinc/08/83/68/599088368.db2.gz JLJYWACRFCJHNO-QZEKMECESA-N -1 3 368.466 3.086 20 0 FGADHM COCCN(C(=O)C[C@@H](C)c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736987914 599115677 /nfs/dbraw/zinc/11/56/77/599115677.db2.gz HDRUAAXLCOKHEI-OAHLLOKOSA-N -1 3 365.437 3.040 20 0 FGADHM COCCN(C(=O)C[C@@H](C)c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736987914 599115678 /nfs/dbraw/zinc/11/56/78/599115678.db2.gz HDRUAAXLCOKHEI-OAHLLOKOSA-N -1 3 365.437 3.040 20 0 FGADHM CC[C@](C)(NC(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1nc(C)cs1 ZINC000736316663 599116834 /nfs/dbraw/zinc/11/68/34/599116834.db2.gz YRAASJYBXSXZDL-INIZCTEOSA-N -1 3 357.443 3.079 20 0 FGADHM CC[C@](C)(NC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1nc(C)cs1 ZINC000736316663 599116837 /nfs/dbraw/zinc/11/68/37/599116837.db2.gz YRAASJYBXSXZDL-INIZCTEOSA-N -1 3 357.443 3.079 20 0 FGADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2NCc1ccccc1Cl ZINC000737408726 599121735 /nfs/dbraw/zinc/12/17/35/599121735.db2.gz LKYPFUWFSNYOFU-UHFFFAOYSA-N -1 3 350.813 3.411 20 0 FGADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2NCc1ccccc1Cl ZINC000737408726 599121736 /nfs/dbraw/zinc/12/17/36/599121736.db2.gz LKYPFUWFSNYOFU-UHFFFAOYSA-N -1 3 350.813 3.411 20 0 FGADHM Cc1ccc([C@@H](C)C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)o1 ZINC000822227250 599137610 /nfs/dbraw/zinc/13/76/10/599137610.db2.gz AYUHSCWBMIMQSZ-CYBMUJFWSA-N -1 3 351.410 3.063 20 0 FGADHM Cc1ccc([C@@H](C)C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)o1 ZINC000822227250 599137612 /nfs/dbraw/zinc/13/76/12/599137612.db2.gz AYUHSCWBMIMQSZ-CYBMUJFWSA-N -1 3 351.410 3.063 20 0 FGADHM C[C@@H]1CN(Cc2ccc(F)cc2-c2nnn[n-]2)C[C@@H](c2ccc(F)cc2)O1 ZINC000736288545 599141189 /nfs/dbraw/zinc/14/11/89/599141189.db2.gz IXQRBGGZGKAJFZ-XIKOKIGWSA-N -1 3 371.391 3.107 20 0 FGADHM C[C@@H]1CN(Cc2ccc(F)cc2-c2nn[n-]n2)C[C@@H](c2ccc(F)cc2)O1 ZINC000736288545 599141192 /nfs/dbraw/zinc/14/11/92/599141192.db2.gz IXQRBGGZGKAJFZ-XIKOKIGWSA-N -1 3 371.391 3.107 20 0 FGADHM C[C@@H](OC(=O)Cc1c[nH]c2ccc(F)cc12)c1cccc(-c2nnn[n-]2)c1 ZINC000736154932 599153614 /nfs/dbraw/zinc/15/36/14/599153614.db2.gz CWRYINSHLNKKEW-LLVKDONJSA-N -1 3 365.368 3.334 20 0 FGADHM C[C@@H](OC(=O)Cc1c[nH]c2ccc(F)cc12)c1cccc(-c2nn[n-]n2)c1 ZINC000736154932 599153617 /nfs/dbraw/zinc/15/36/17/599153617.db2.gz CWRYINSHLNKKEW-LLVKDONJSA-N -1 3 365.368 3.334 20 0 FGADHM CC(C)N(C(=S)NC(C1CC1)C1CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000735857618 599158067 /nfs/dbraw/zinc/15/80/67/599158067.db2.gz WMFWIBLUWYOZNX-UHFFFAOYSA-N -1 3 356.499 3.145 20 0 FGADHM CC(C)N(C(=S)NC(C1CC1)C1CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000735857618 599158068 /nfs/dbraw/zinc/15/80/68/599158068.db2.gz WMFWIBLUWYOZNX-UHFFFAOYSA-N -1 3 356.499 3.145 20 0 FGADHM Cc1ccc(Cl)c(OCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)c1 ZINC000737343699 599158368 /nfs/dbraw/zinc/15/83/68/599158368.db2.gz TVXAFTUFGIIXDL-UHFFFAOYSA-N -1 3 368.784 3.458 20 0 FGADHM Cc1ccc(Cl)c(OCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)c1 ZINC000737343699 599158370 /nfs/dbraw/zinc/15/83/70/599158370.db2.gz TVXAFTUFGIIXDL-UHFFFAOYSA-N -1 3 368.784 3.458 20 0 FGADHM Cc1ccccc1[C@H](C)CC(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000737424682 599161656 /nfs/dbraw/zinc/16/16/56/599161656.db2.gz WRXZCDXIDACJFL-CYBMUJFWSA-N -1 3 353.401 3.471 20 0 FGADHM Cc1ccccc1[C@H](C)CC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000737424682 599161657 /nfs/dbraw/zinc/16/16/57/599161657.db2.gz WRXZCDXIDACJFL-CYBMUJFWSA-N -1 3 353.401 3.471 20 0 FGADHM O=C(CCSc1ccc(-c2nnn[n-]2)cc1F)Nc1ccccc1F ZINC000737849424 599167319 /nfs/dbraw/zinc/16/73/19/599167319.db2.gz DQZOZPIKRQGVOG-UHFFFAOYSA-N -1 3 361.377 3.266 20 0 FGADHM O=C(CCSc1ccc(-c2nn[n-]n2)cc1F)Nc1ccccc1F ZINC000737849424 599167322 /nfs/dbraw/zinc/16/73/22/599167322.db2.gz DQZOZPIKRQGVOG-UHFFFAOYSA-N -1 3 361.377 3.266 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC(C(C)(C)C)CC1 ZINC000737056309 599188351 /nfs/dbraw/zinc/18/83/51/599188351.db2.gz CMYVLEATLMJBFZ-UHFFFAOYSA-N -1 3 358.446 3.165 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC(C(C)(C)C)CC1 ZINC000737056309 599188354 /nfs/dbraw/zinc/18/83/54/599188354.db2.gz CMYVLEATLMJBFZ-UHFFFAOYSA-N -1 3 358.446 3.165 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@H]1c1ccco1 ZINC000736638202 599188616 /nfs/dbraw/zinc/18/86/16/599188616.db2.gz XTIQRUGKZUVBCP-AWEZNQCLSA-N -1 3 368.397 3.227 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@H]1c1ccco1 ZINC000736638202 599188619 /nfs/dbraw/zinc/18/86/19/599188619.db2.gz XTIQRUGKZUVBCP-AWEZNQCLSA-N -1 3 368.397 3.227 20 0 FGADHM C[C@@H](NC(=O)N1CCCC[C@H]1c1ccco1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736110441 599189851 /nfs/dbraw/zinc/18/98/51/599189851.db2.gz BMDKZDVXMBBXHD-CJNGLKHVSA-N -1 3 366.425 3.458 20 0 FGADHM C[C@@H](NC(=O)N1CCCC[C@H]1c1ccco1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736110441 599189853 /nfs/dbraw/zinc/18/98/53/599189853.db2.gz BMDKZDVXMBBXHD-CJNGLKHVSA-N -1 3 366.425 3.458 20 0 FGADHM CCCc1ncc(C(=O)Nc2sc(C)c(CC)c2-c2nnn[n-]2)s1 ZINC000736495125 599186714 /nfs/dbraw/zinc/18/67/14/599186714.db2.gz IQOKIMPCCQVNLO-UHFFFAOYSA-N -1 3 362.484 3.460 20 0 FGADHM CCCc1ncc(C(=O)Nc2sc(C)c(CC)c2-c2nn[n-]n2)s1 ZINC000736495125 599186716 /nfs/dbraw/zinc/18/67/16/599186716.db2.gz IQOKIMPCCQVNLO-UHFFFAOYSA-N -1 3 362.484 3.460 20 0 FGADHM C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000820664523 599190267 /nfs/dbraw/zinc/19/02/67/599190267.db2.gz BESNGYJCTLQVIO-SJKOYZFVSA-N -1 3 351.385 3.229 20 0 FGADHM C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000820664523 599190270 /nfs/dbraw/zinc/19/02/70/599190270.db2.gz BESNGYJCTLQVIO-SJKOYZFVSA-N -1 3 351.385 3.229 20 0 FGADHM CCC[C@@H]1[C@@H](C)CCCN1C(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000821033594 599194122 /nfs/dbraw/zinc/19/41/22/599194122.db2.gz CDKVJPNXNAWAOJ-OFQRWUPVSA-N -1 3 357.458 3.061 20 0 FGADHM CCC[C@@H]1[C@@H](C)CCCN1C(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000821033594 599194123 /nfs/dbraw/zinc/19/41/23/599194123.db2.gz CDKVJPNXNAWAOJ-OFQRWUPVSA-N -1 3 357.458 3.061 20 0 FGADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ncc(C(C)(C)C)s1 ZINC000820528282 599194741 /nfs/dbraw/zinc/19/47/41/599194741.db2.gz NDJCHKGHLMMBIE-SNVBAGLBSA-N -1 3 372.454 3.027 20 0 FGADHM Clc1ccc(CCN(CC2CC2)c2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000737576439 599206166 /nfs/dbraw/zinc/20/61/66/599206166.db2.gz RDHWKJNXGVEGRA-UHFFFAOYSA-N -1 3 354.845 3.374 20 0 FGADHM Clc1ccc(CCN(CC2CC2)c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000737576439 599206169 /nfs/dbraw/zinc/20/61/69/599206169.db2.gz RDHWKJNXGVEGRA-UHFFFAOYSA-N -1 3 354.845 3.374 20 0 FGADHM O=C(COc1ccc(-c2nn[n-]n2)cc1)N1CCCC2(C1)CCCCCC2 ZINC000823031707 599202941 /nfs/dbraw/zinc/20/29/41/599202941.db2.gz HHDVKWUVWPSRSS-UHFFFAOYSA-N -1 3 369.469 3.209 20 0 FGADHM CCCc1ccc(C(=O)N(CCOC)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736496549 599203227 /nfs/dbraw/zinc/20/32/27/599203227.db2.gz FVGLDTZNIBBFHO-UHFFFAOYSA-N -1 3 365.437 3.112 20 0 FGADHM CCCc1ccc(C(=O)N(CCOC)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736496549 599203228 /nfs/dbraw/zinc/20/32/28/599203228.db2.gz FVGLDTZNIBBFHO-UHFFFAOYSA-N -1 3 365.437 3.112 20 0 FGADHM C[C@@H]1CCN(C(=O)c2ncc(-c3nnn[n-]3)cc2Cl)c2ccccc21 ZINC000820716940 607262651 /nfs/dbraw/zinc/26/26/51/607262651.db2.gz MUNLXZAVRFCTBJ-SNVBAGLBSA-N -1 3 354.801 3.069 20 0 FGADHM C[C@@H]1CCN(C(=O)c2ncc(-c3nn[n-]n3)cc2Cl)c2ccccc21 ZINC000820716940 607262652 /nfs/dbraw/zinc/26/26/52/607262652.db2.gz MUNLXZAVRFCTBJ-SNVBAGLBSA-N -1 3 354.801 3.069 20 0 FGADHM CO[C@H](CNC(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1cccc(Cl)c1 ZINC000821676866 599243813 /nfs/dbraw/zinc/24/38/13/599243813.db2.gz IXTCIFUWZFJRRA-OAHLLOKOSA-N -1 3 372.816 3.029 20 0 FGADHM CO[C@H](CNC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1cccc(Cl)c1 ZINC000821676866 599243816 /nfs/dbraw/zinc/24/38/16/599243816.db2.gz IXTCIFUWZFJRRA-OAHLLOKOSA-N -1 3 372.816 3.029 20 0 FGADHM CN(CCc1cccs1)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000821607492 599247201 /nfs/dbraw/zinc/24/72/01/599247201.db2.gz QZUWGPWOJBGIRQ-UHFFFAOYSA-N -1 3 362.846 3.288 20 0 FGADHM CN(CCc1cccs1)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000821607492 599247202 /nfs/dbraw/zinc/24/72/02/599247202.db2.gz QZUWGPWOJBGIRQ-UHFFFAOYSA-N -1 3 362.846 3.288 20 0 FGADHM C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000736233665 599248557 /nfs/dbraw/zinc/24/85/57/599248557.db2.gz GEQUYAHMEKJKBX-SJKOYZFVSA-N -1 3 351.385 3.229 20 0 FGADHM C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000736233665 599248558 /nfs/dbraw/zinc/24/85/58/599248558.db2.gz GEQUYAHMEKJKBX-SJKOYZFVSA-N -1 3 351.385 3.229 20 0 FGADHM COc1cc(C)c(NC(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1OC ZINC000821707530 607280404 /nfs/dbraw/zinc/28/04/04/607280404.db2.gz AGXPQNZFCSIZCW-UHFFFAOYSA-N -1 3 368.397 3.145 20 0 FGADHM COc1cc(C)c(NC(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1OC ZINC000821707530 607280405 /nfs/dbraw/zinc/28/04/05/607280405.db2.gz AGXPQNZFCSIZCW-UHFFFAOYSA-N -1 3 368.397 3.145 20 0 FGADHM CCOc1cccc([C@@H](C)NC(=O)Nc2cccc(-c3nnn[n-]3)c2C)c1 ZINC000821427277 607281191 /nfs/dbraw/zinc/28/11/91/607281191.db2.gz QLPLBPUFYGKVGN-CYBMUJFWSA-N -1 3 366.425 3.457 20 0 FGADHM CCOc1cccc([C@@H](C)NC(=O)Nc2cccc(-c3nn[n-]n3)c2C)c1 ZINC000821427277 607281192 /nfs/dbraw/zinc/28/11/92/607281192.db2.gz QLPLBPUFYGKVGN-CYBMUJFWSA-N -1 3 366.425 3.457 20 0 FGADHM Cc1c(NC(=O)N2CCc3c(F)ccc(F)c3C2)cccc1-c1nnn[n-]1 ZINC000822089529 607282559 /nfs/dbraw/zinc/28/25/59/607282559.db2.gz DOLBXHSZRZFRKA-UHFFFAOYSA-N -1 3 370.363 3.044 20 0 FGADHM Cc1c(NC(=O)N2CCc3c(F)ccc(F)c3C2)cccc1-c1nn[n-]n1 ZINC000822089529 607282560 /nfs/dbraw/zinc/28/25/60/607282560.db2.gz DOLBXHSZRZFRKA-UHFFFAOYSA-N -1 3 370.363 3.044 20 0 FGADHM Cc1cccc(CC2CN(C(=O)Nc3cccc(-c4nnn[n-]4)c3C)C2)c1 ZINC000822299204 607282737 /nfs/dbraw/zinc/28/27/37/607282737.db2.gz BHKJBKRFJCMGIA-UHFFFAOYSA-N -1 3 362.437 3.190 20 0 FGADHM Cc1cccc(CC2CN(C(=O)Nc3cccc(-c4nn[n-]n4)c3C)C2)c1 ZINC000822299204 607282738 /nfs/dbraw/zinc/28/27/38/607282738.db2.gz BHKJBKRFJCMGIA-UHFFFAOYSA-N -1 3 362.437 3.190 20 0 FGADHM O=C([O-])Cc1ccccc1NC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000819617988 597329234 /nfs/dbraw/zinc/32/92/34/597329234.db2.gz JCRWQDMWAWLSEV-MRXNPFEDSA-N -1 3 373.478 3.334 20 0 FGADHM Cc1c(NC(=O)N[C@H]2CCCOc3ccccc32)cccc1-c1nnn[n-]1 ZINC000822090718 607286600 /nfs/dbraw/zinc/28/66/00/607286600.db2.gz MGOQRWSIEZQOMF-INIZCTEOSA-N -1 3 364.409 3.211 20 0 FGADHM Cc1c(NC(=O)N[C@H]2CCCOc3ccccc32)cccc1-c1nn[n-]n1 ZINC000822090718 607286601 /nfs/dbraw/zinc/28/66/01/607286601.db2.gz MGOQRWSIEZQOMF-INIZCTEOSA-N -1 3 364.409 3.211 20 0 FGADHM COc1ccc(Cl)cc1CNC(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821828537 607290721 /nfs/dbraw/zinc/29/07/21/607290721.db2.gz WPOMTKMISCCCOV-UHFFFAOYSA-N -1 3 372.816 3.159 20 0 FGADHM COc1ccc(Cl)cc1CNC(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821828537 607290722 /nfs/dbraw/zinc/29/07/22/607290722.db2.gz WPOMTKMISCCCOV-UHFFFAOYSA-N -1 3 372.816 3.159 20 0 FGADHM Cc1c(NC(=O)NCCCCc2ccccc2)cccc1-c1nnn[n-]1 ZINC000822095707 607291052 /nfs/dbraw/zinc/29/10/52/607291052.db2.gz HHHAFOZRAUCKRD-UHFFFAOYSA-N -1 3 350.426 3.320 20 0 FGADHM Cc1c(NC(=O)NCCCCc2ccccc2)cccc1-c1nn[n-]n1 ZINC000822095707 607291053 /nfs/dbraw/zinc/29/10/53/607291053.db2.gz HHHAFOZRAUCKRD-UHFFFAOYSA-N -1 3 350.426 3.320 20 0 FGADHM Cc1c(NC(=O)N[C@@H](C)[C@H](C)c2ccccc2)cccc1-c1nnn[n-]1 ZINC000822091829 607293312 /nfs/dbraw/zinc/29/33/12/607293312.db2.gz SUZPQQMSILNCFY-JSGCOSHPSA-N -1 3 350.426 3.489 20 0 FGADHM Cc1c(NC(=O)N[C@@H](C)[C@H](C)c2ccccc2)cccc1-c1nn[n-]n1 ZINC000822091829 607293313 /nfs/dbraw/zinc/29/33/13/607293313.db2.gz SUZPQQMSILNCFY-JSGCOSHPSA-N -1 3 350.426 3.489 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)CCCC[C@@H](C)C(C)=O ZINC000821099198 607299066 /nfs/dbraw/zinc/29/90/66/607299066.db2.gz BFNIAJVODJWHKS-OAHLLOKOSA-N -1 3 371.485 3.391 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)CCCC[C@@H](C)C(C)=O ZINC000821099198 607299067 /nfs/dbraw/zinc/29/90/67/607299067.db2.gz BFNIAJVODJWHKS-OAHLLOKOSA-N -1 3 371.485 3.391 20 0 FGADHM Clc1ccc(CNc2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)o1 ZINC000737574815 599260644 /nfs/dbraw/zinc/26/06/44/599260644.db2.gz UAAQMFAEANEFNR-UHFFFAOYSA-N -1 3 361.192 3.349 20 0 FGADHM Clc1ccc(CNc2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)o1 ZINC000737574815 599260647 /nfs/dbraw/zinc/26/06/47/599260647.db2.gz UAAQMFAEANEFNR-UHFFFAOYSA-N -1 3 361.192 3.349 20 0 FGADHM CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NC(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000820684175 607299746 /nfs/dbraw/zinc/29/97/46/607299746.db2.gz MTTCNIPZIRSQKR-QKCSRTOESA-N -1 3 362.865 3.106 20 0 FGADHM CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NC(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000820684175 607299747 /nfs/dbraw/zinc/29/97/47/607299747.db2.gz MTTCNIPZIRSQKR-QKCSRTOESA-N -1 3 362.865 3.106 20 0 FGADHM Cc1ccc(CC[C@@H](C)NC(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000822234984 599263785 /nfs/dbraw/zinc/26/37/85/599263785.db2.gz NSQAIKOTHRFPDV-OCCSQVGLSA-N -1 3 368.441 3.150 20 0 FGADHM Cc1ccc(CC[C@@H](C)NC(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822234984 599263787 /nfs/dbraw/zinc/26/37/87/599263787.db2.gz NSQAIKOTHRFPDV-OCCSQVGLSA-N -1 3 368.441 3.150 20 0 FGADHM Cc1ccc(NC(=O)C(C)C)cc1NCc1cc(-c2nnn[n-]2)cs1 ZINC000822242350 607308256 /nfs/dbraw/zinc/30/82/56/607308256.db2.gz IXXGDWZRONGKGX-UHFFFAOYSA-N -1 3 356.455 3.443 20 0 FGADHM Cc1ccc(NC(=O)C(C)C)cc1NCc1cc(-c2nn[n-]n2)cs1 ZINC000822242350 607308257 /nfs/dbraw/zinc/30/82/57/607308257.db2.gz IXXGDWZRONGKGX-UHFFFAOYSA-N -1 3 356.455 3.443 20 0 FGADHM CC(C)(C)NC(=O)c1cccc(NCc2cc(-c3nnn[n-]3)cs2)c1 ZINC000819923412 607312229 /nfs/dbraw/zinc/31/22/29/607312229.db2.gz ZZPWKDUZXPJUSE-UHFFFAOYSA-N -1 3 356.455 3.069 20 0 FGADHM CC(C)(C)NC(=O)c1cccc(NCc2cc(-c3nn[n-]n3)cs2)c1 ZINC000819923412 607312230 /nfs/dbraw/zinc/31/22/30/607312230.db2.gz ZZPWKDUZXPJUSE-UHFFFAOYSA-N -1 3 356.455 3.069 20 0 FGADHM c1cc(-c2nnn[n-]2)sc1CNc1ccccc1OC[C@H]1CCCCO1 ZINC000823792209 607314752 /nfs/dbraw/zinc/31/47/52/607314752.db2.gz PVQMFDSMWXZESI-CYBMUJFWSA-N -1 3 371.466 3.488 20 0 FGADHM Cc1cc(NCc2cccc(-c3nnn[n-]3)c2)ccc1N1CCSCC1 ZINC000822209676 607315142 /nfs/dbraw/zinc/31/51/42/607315142.db2.gz RPCALRMPHHGKBG-UHFFFAOYSA-N -1 3 366.494 3.340 20 0 FGADHM Cc1cc(NCc2cccc(-c3nn[n-]n3)c2)ccc1N1CCSCC1 ZINC000822209676 607315143 /nfs/dbraw/zinc/31/51/43/607315143.db2.gz RPCALRMPHHGKBG-UHFFFAOYSA-N -1 3 366.494 3.340 20 0 FGADHM COCCCCN(Cc1ccccc1)c1cccc(F)c1-c1nnn[n-]1 ZINC000821686875 607305440 /nfs/dbraw/zinc/30/54/40/607305440.db2.gz CZPKBSLYTNWPKG-UHFFFAOYSA-N -1 3 355.417 3.439 20 0 FGADHM COCCCCN(Cc1ccccc1)c1cccc(F)c1-c1nn[n-]n1 ZINC000821686875 607305441 /nfs/dbraw/zinc/30/54/41/607305441.db2.gz CZPKBSLYTNWPKG-UHFFFAOYSA-N -1 3 355.417 3.439 20 0 FGADHM Cc1ccc(CC[C@@H](C)NC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)o1 ZINC000822235088 599279127 /nfs/dbraw/zinc/27/91/27/599279127.db2.gz RKVYTSNZSNYGKM-SNVBAGLBSA-N -1 3 358.377 3.050 20 0 FGADHM Cc1ccc(CC[C@@H](C)NC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)o1 ZINC000822235088 599279129 /nfs/dbraw/zinc/27/91/29/599279129.db2.gz RKVYTSNZSNYGKM-SNVBAGLBSA-N -1 3 358.377 3.050 20 0 FGADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)Nc1cc(-c2ccccc2)on1 ZINC000737853410 599279312 /nfs/dbraw/zinc/27/93/12/599279312.db2.gz LIBLBFYSTJXFNQ-UHFFFAOYSA-N -1 3 360.377 3.093 20 0 FGADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)Nc1cc(-c2ccccc2)on1 ZINC000737853410 599279315 /nfs/dbraw/zinc/27/93/15/599279315.db2.gz LIBLBFYSTJXFNQ-UHFFFAOYSA-N -1 3 360.377 3.093 20 0 FGADHM CO[C@H](C)COC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000821673863 607320331 /nfs/dbraw/zinc/32/03/31/607320331.db2.gz NGHGNBZVZLRQLG-GFCCVEGCSA-N -1 3 370.434 3.210 20 0 FGADHM CO[C@H](C)COC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000821673863 607320332 /nfs/dbraw/zinc/32/03/32/607320332.db2.gz NGHGNBZVZLRQLG-GFCCVEGCSA-N -1 3 370.434 3.210 20 0 FGADHM CC(C)(C)[C@@H](NC(=O)CSc1ccc(-c2nnn[n-]2)cc1)C(F)(F)F ZINC000735588716 599282012 /nfs/dbraw/zinc/28/20/12/599282012.db2.gz GEUAABCEJJKJOK-CYBMUJFWSA-N -1 3 373.404 3.052 20 0 FGADHM CC(C)(C)[C@@H](NC(=O)CSc1ccc(-c2nn[n-]n2)cc1)C(F)(F)F ZINC000735588716 599282015 /nfs/dbraw/zinc/28/20/15/599282015.db2.gz GEUAABCEJJKJOK-CYBMUJFWSA-N -1 3 373.404 3.052 20 0 FGADHM Cc1cc(-c2nn[n-]n2)cc(C)c1OCC(=O)N1CCC[C@H]2CCCC[C@@H]21 ZINC000737220526 599282953 /nfs/dbraw/zinc/28/29/53/599282953.db2.gz BOJLQMICALQZBN-WBVHZDCISA-N -1 3 369.469 3.044 20 0 FGADHM CC(C)[C@H](C)CNC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820016975 599288187 /nfs/dbraw/zinc/28/81/87/599288187.db2.gz RPXQNDBIVGEJNE-SECBINFHSA-N -1 3 356.352 3.299 20 0 FGADHM CC(C)[C@H](C)CNC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820016975 599288190 /nfs/dbraw/zinc/28/81/90/599288190.db2.gz RPXQNDBIVGEJNE-SECBINFHSA-N -1 3 356.352 3.299 20 0 FGADHM Cc1c(NC(=O)c2ccc(-c3ccccc3)[nH]c2=O)cccc1-c1nnn[n-]1 ZINC000822109328 607321022 /nfs/dbraw/zinc/32/10/22/607321022.db2.gz QKYWAWNPYBMAGZ-UHFFFAOYSA-N -1 3 372.388 3.195 20 0 FGADHM Cc1c(NC(=O)c2ccc(-c3ccccc3)[nH]c2=O)cccc1-c1nn[n-]n1 ZINC000822109328 607321023 /nfs/dbraw/zinc/32/10/23/607321023.db2.gz QKYWAWNPYBMAGZ-UHFFFAOYSA-N -1 3 372.388 3.195 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H]1CSc2ccccc21 ZINC000736636086 599292215 /nfs/dbraw/zinc/29/22/15/599292215.db2.gz NTRWABNALWSLGY-CYBMUJFWSA-N -1 3 367.434 3.093 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1CSc2ccccc21 ZINC000736636086 599292217 /nfs/dbraw/zinc/29/22/17/599292217.db2.gz NTRWABNALWSLGY-CYBMUJFWSA-N -1 3 367.434 3.093 20 0 FGADHM CC[C@@H]1Oc2cc([C@H](C)NCc3cccc(C(=O)[O-])c3)ccc2NC1=O ZINC000263421872 598204232 /nfs/dbraw/zinc/20/42/32/598204232.db2.gz PDZVVBDUFIKMAJ-SJCJKPOMSA-N -1 3 354.406 3.345 20 0 FGADHM CCCCNC(=O)c1ccc(CNc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000736461089 598237553 /nfs/dbraw/zinc/23/75/53/598237553.db2.gz OEBTUNDJEDRZHQ-UHFFFAOYSA-N -1 3 368.416 3.148 20 0 FGADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cc1F)c1ccc(N2CCCC2=O)cc1 ZINC000736138694 598241910 /nfs/dbraw/zinc/24/19/10/598241910.db2.gz NYYCMQNUOWIFPE-GFCCVEGCSA-N -1 3 366.400 3.306 20 0 FGADHM Cc1nc(C2CCN(c3cccc(F)c3-c3nnn[n-]3)CC2)sc1C ZINC000737473661 598243954 /nfs/dbraw/zinc/24/39/54/598243954.db2.gz GCCBMTALSOMOFN-UHFFFAOYSA-N -1 3 358.446 3.463 20 0 FGADHM Cc1nc(C2CCN(c3cccc(F)c3-c3nn[n-]n3)CC2)sc1C ZINC000737473661 598243955 /nfs/dbraw/zinc/24/39/55/598243955.db2.gz GCCBMTALSOMOFN-UHFFFAOYSA-N -1 3 358.446 3.463 20 0 FGADHM C[C@H]1CCC[C@H](N(C)C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)C1 ZINC000736247404 598278230 /nfs/dbraw/zinc/27/82/30/598278230.db2.gz COTXVUHLDUIAKH-JSGCOSHPSA-N -1 3 359.478 3.466 20 0 FGADHM C[C@H]1CCC[C@H](N(C)C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)C1 ZINC000736247404 598278232 /nfs/dbraw/zinc/27/82/32/598278232.db2.gz COTXVUHLDUIAKH-JSGCOSHPSA-N -1 3 359.478 3.466 20 0 FGADHM CCOc1cc2c(cc1NCc1ccccc1-c1nnn[n-]1)O[C@@H](C)C2 ZINC000736634481 598283247 /nfs/dbraw/zinc/28/32/47/598283247.db2.gz HPLIAHCJMPKNLI-LBPRGKRZSA-N -1 3 351.410 3.201 20 0 FGADHM CCOc1cc2c(cc1NCc1ccccc1-c1nn[n-]n1)O[C@@H](C)C2 ZINC000736634481 598283249 /nfs/dbraw/zinc/28/32/49/598283249.db2.gz HPLIAHCJMPKNLI-LBPRGKRZSA-N -1 3 351.410 3.201 20 0 FGADHM Cc1cc(C)cc(-c2cc(NC(=O)c3ccc(-c4nnn[n-]4)cc3)n[nH]2)c1 ZINC000737248974 598286645 /nfs/dbraw/zinc/28/66/45/598286645.db2.gz PXPZVTVZEYMAKS-UHFFFAOYSA-N -1 3 359.393 3.126 20 0 FGADHM Cc1cc(C)cc(-c2cc(NC(=O)c3ccc(-c4nn[n-]n4)cc3)n[nH]2)c1 ZINC000737248974 598286647 /nfs/dbraw/zinc/28/66/47/598286647.db2.gz PXPZVTVZEYMAKS-UHFFFAOYSA-N -1 3 359.393 3.126 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccc(F)cc1C ZINC000821104955 607347679 /nfs/dbraw/zinc/34/76/79/607347679.db2.gz TVRIOBRGBSTPPA-UHFFFAOYSA-N -1 3 353.401 3.367 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccc(F)cc1C ZINC000821104955 607347681 /nfs/dbraw/zinc/34/76/81/607347681.db2.gz TVRIOBRGBSTPPA-UHFFFAOYSA-N -1 3 353.401 3.367 20 0 FGADHM Cc1ccc(C)c(NC(=S)NCc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000737326895 598297732 /nfs/dbraw/zinc/29/77/32/598297732.db2.gz TYKRJIZZVJEJCI-UHFFFAOYSA-N -1 3 356.430 3.109 20 0 FGADHM Cc1ccc(C)c(NC(=S)NCc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000737326895 598297733 /nfs/dbraw/zinc/29/77/33/598297733.db2.gz TYKRJIZZVJEJCI-UHFFFAOYSA-N -1 3 356.430 3.109 20 0 FGADHM Cc1ccccc1N(CC(=O)Nc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000737436318 598311881 /nfs/dbraw/zinc/31/18/81/598311881.db2.gz RPJZBNNDFHHVNQ-UHFFFAOYSA-N -1 3 350.426 3.029 20 0 FGADHM Cc1ccccc1N(CC(=O)Nc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000737436318 598311882 /nfs/dbraw/zinc/31/18/82/598311882.db2.gz RPJZBNNDFHHVNQ-UHFFFAOYSA-N -1 3 350.426 3.029 20 0 FGADHM CCC[C@@H]1CCCC[C@H]1NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000736434358 598320436 /nfs/dbraw/zinc/32/04/36/598320436.db2.gz FARCMMDQIHPJRE-MLGOLLRUSA-N -1 3 360.437 3.164 20 0 FGADHM CCC[C@@H]1CCCC[C@H]1NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000736434358 598320438 /nfs/dbraw/zinc/32/04/38/598320438.db2.gz FARCMMDQIHPJRE-MLGOLLRUSA-N -1 3 360.437 3.164 20 0 FGADHM CC(C)CC[C@H]1CCC[C@@H]1NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000735797387 598320482 /nfs/dbraw/zinc/32/04/82/598320482.db2.gz OHFPOIYYCWLWAG-DYVFJYSZSA-N -1 3 374.464 3.410 20 0 FGADHM CC(C)CC[C@H]1CCC[C@@H]1NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000735797387 598320483 /nfs/dbraw/zinc/32/04/83/598320483.db2.gz OHFPOIYYCWLWAG-DYVFJYSZSA-N -1 3 374.464 3.410 20 0 FGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)Nc1cccc(Cl)c1F ZINC000738100718 598323031 /nfs/dbraw/zinc/32/30/31/598323031.db2.gz QSHNNOUJJZGFPD-UHFFFAOYSA-N -1 3 364.743 3.120 20 0 FGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)Nc1cccc(Cl)c1F ZINC000738100718 598323032 /nfs/dbraw/zinc/32/30/32/598323032.db2.gz QSHNNOUJJZGFPD-UHFFFAOYSA-N -1 3 364.743 3.120 20 0 FGADHM CC(C)N(Cc1cccs1)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000735876151 598327427 /nfs/dbraw/zinc/32/74/27/598327427.db2.gz VRKQZIQDRQLYQZ-UHFFFAOYSA-N -1 3 374.445 3.188 20 0 FGADHM CC(C)N(Cc1cccs1)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000735876151 598327428 /nfs/dbraw/zinc/32/74/28/598327428.db2.gz VRKQZIQDRQLYQZ-UHFFFAOYSA-N -1 3 374.445 3.188 20 0 FGADHM Cc1ccc([C@H](C)N(C)C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000737320733 598328232 /nfs/dbraw/zinc/32/82/32/598328232.db2.gz OPSTYAWDHUCJTN-ZDUSSCGKSA-N -1 3 368.416 3.217 20 0 FGADHM Cc1ccc([C@H](C)N(C)C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000737320733 598328234 /nfs/dbraw/zinc/32/82/34/598328234.db2.gz OPSTYAWDHUCJTN-ZDUSSCGKSA-N -1 3 368.416 3.217 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)Cc1coc(-c2cccs2)n1 ZINC000737292504 598359245 /nfs/dbraw/zinc/35/92/45/598359245.db2.gz UIUBEKTUKKSBHN-UHFFFAOYSA-N -1 3 366.406 3.073 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)Cc1coc(-c2cccs2)n1 ZINC000737292504 598359247 /nfs/dbraw/zinc/35/92/47/598359247.db2.gz UIUBEKTUKKSBHN-UHFFFAOYSA-N -1 3 366.406 3.073 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)C[C@H](C)c1ccccc1F ZINC000737025316 598365283 /nfs/dbraw/zinc/36/52/83/598365283.db2.gz PGPOSCQRYZEVBT-NSHDSACASA-N -1 3 356.357 3.114 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)C[C@H](C)c1ccccc1F ZINC000737025316 598365285 /nfs/dbraw/zinc/36/52/85/598365285.db2.gz PGPOSCQRYZEVBT-NSHDSACASA-N -1 3 356.357 3.114 20 0 FGADHM O=C1OC(c2ccc(-c3nnn[n-]3)cc2)=NC1=Cc1cccc2ccccc12 ZINC000738317567 598380900 /nfs/dbraw/zinc/38/09/00/598380900.db2.gz DUDGYVBLQTXAHM-LDADJPATSA-N -1 3 367.368 3.364 20 0 FGADHM O=C1OC(c2ccc(-c3nn[n-]n3)cc2)=NC1=Cc1cccc2ccccc12 ZINC000738317567 598380902 /nfs/dbraw/zinc/38/09/02/598380902.db2.gz DUDGYVBLQTXAHM-LDADJPATSA-N -1 3 367.368 3.364 20 0 FGADHM Cc1cccc(C2(CNC(=O)c3sccc3-c3nnn[n-]3)CCCC2)c1 ZINC000737390122 598381819 /nfs/dbraw/zinc/38/18/19/598381819.db2.gz ONTRQTNZFDOZDG-UHFFFAOYSA-N -1 3 367.478 3.478 20 0 FGADHM Cc1cccc(C2(CNC(=O)c3sccc3-c3nn[n-]n3)CCCC2)c1 ZINC000737390122 598381820 /nfs/dbraw/zinc/38/18/20/598381820.db2.gz ONTRQTNZFDOZDG-UHFFFAOYSA-N -1 3 367.478 3.478 20 0 FGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cccc2cccnc21 ZINC000735874024 598383828 /nfs/dbraw/zinc/38/38/28/598383828.db2.gz LHPVNRSOJHQCRR-UHFFFAOYSA-N -1 3 372.432 3.466 20 0 FGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cccc2cccnc21 ZINC000735874024 598383830 /nfs/dbraw/zinc/38/38/30/598383830.db2.gz LHPVNRSOJHQCRR-UHFFFAOYSA-N -1 3 372.432 3.466 20 0 FGADHM CC(C)(C)OC(=O)NCc1cccc(Oc2ccc(-c3nnn[n-]3)cn2)c1 ZINC000735640118 598389070 /nfs/dbraw/zinc/38/90/70/598389070.db2.gz XQJXQHZQQUZYDX-UHFFFAOYSA-N -1 3 368.397 3.079 20 0 FGADHM CC(C)(C)OC(=O)NCc1cccc(Oc2ccc(-c3nn[n-]n3)cn2)c1 ZINC000735640118 598389072 /nfs/dbraw/zinc/38/90/72/598389072.db2.gz XQJXQHZQQUZYDX-UHFFFAOYSA-N -1 3 368.397 3.079 20 0 FGADHM COc1cc(C)c([C@H](C)Nc2ncc(-c3nnn[n-]3)cc2Cl)cc1OC ZINC000737041545 598389482 /nfs/dbraw/zinc/38/94/82/598389482.db2.gz WIRMJLQIEGXCRZ-JTQLQIEISA-N -1 3 374.832 3.414 20 0 FGADHM COc1cc(C)c([C@H](C)Nc2ncc(-c3nn[n-]n3)cc2Cl)cc1OC ZINC000737041545 598389484 /nfs/dbraw/zinc/38/94/84/598389484.db2.gz WIRMJLQIEGXCRZ-JTQLQIEISA-N -1 3 374.832 3.414 20 0 FGADHM Cc1ccccc1OCCCN(C)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000737430977 598391093 /nfs/dbraw/zinc/39/10/93/598391093.db2.gz BLHMECSNCSRKMI-UHFFFAOYSA-N -1 3 358.833 3.129 20 0 FGADHM Cc1ccccc1OCCCN(C)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000737430977 598391094 /nfs/dbraw/zinc/39/10/94/598391094.db2.gz BLHMECSNCSRKMI-UHFFFAOYSA-N -1 3 358.833 3.129 20 0 FGADHM Cc1ccc2c(c1)[C@H](NC(=O)N[C@@H](C)c1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000737371845 598391228 /nfs/dbraw/zinc/39/12/28/598391228.db2.gz NKRLUZCNWSUMIZ-SCLBCKFNSA-N -1 3 362.437 3.223 20 0 FGADHM Cc1ccc2c(c1)[C@H](NC(=O)N[C@@H](C)c1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000737371845 598391230 /nfs/dbraw/zinc/39/12/30/598391230.db2.gz NKRLUZCNWSUMIZ-SCLBCKFNSA-N -1 3 362.437 3.223 20 0 FGADHM Cc1ccc2c(c1)[C@H](NC(=O)N[C@H](C)c1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000737371844 598391386 /nfs/dbraw/zinc/39/13/86/598391386.db2.gz NKRLUZCNWSUMIZ-FZKQIMNGSA-N -1 3 362.437 3.223 20 0 FGADHM Cc1ccc2c(c1)[C@H](NC(=O)N[C@H](C)c1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000737371844 598391388 /nfs/dbraw/zinc/39/13/88/598391388.db2.gz NKRLUZCNWSUMIZ-FZKQIMNGSA-N -1 3 362.437 3.223 20 0 FGADHM Cc1nc(C)c([C@H](C)N(C)C(=O)Nc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000737471118 598391577 /nfs/dbraw/zinc/39/15/77/598391577.db2.gz OSCOBQSQPLKGIG-JTQLQIEISA-N -1 3 357.443 3.165 20 0 FGADHM Cc1nc(C)c([C@H](C)N(C)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000737471118 598391579 /nfs/dbraw/zinc/39/15/79/598391579.db2.gz OSCOBQSQPLKGIG-JTQLQIEISA-N -1 3 357.443 3.165 20 0 FGADHM Cc1cc(C)c(NC(=O)COc2ccc(-c3nn[n-]n3)cc2C)c(Cl)c1 ZINC000737248512 598395195 /nfs/dbraw/zinc/39/51/95/598395195.db2.gz HRHSNHBGZOLHRF-UHFFFAOYSA-N -1 3 371.828 3.463 20 0 FGADHM C[C@H](NC(=O)Nc1cccc2c1ccn2C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736115364 598412198 /nfs/dbraw/zinc/41/21/98/598412198.db2.gz HJKUUJYDDZZFKW-LBPRGKRZSA-N -1 3 361.409 3.241 20 0 FGADHM C[C@H](NC(=O)Nc1cccc2c1ccn2C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736115364 598412199 /nfs/dbraw/zinc/41/21/99/598412199.db2.gz HJKUUJYDDZZFKW-LBPRGKRZSA-N -1 3 361.409 3.241 20 0 FGADHM CO[C@H](C)c1cccc(NC(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736963745 598412873 /nfs/dbraw/zinc/41/28/73/598412873.db2.gz STEGQGMJVBCJGG-CYBMUJFWSA-N -1 3 366.425 3.238 20 0 FGADHM CO[C@H](C)c1cccc(NC(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736963745 598412875 /nfs/dbraw/zinc/41/28/75/598412875.db2.gz STEGQGMJVBCJGG-CYBMUJFWSA-N -1 3 366.425 3.238 20 0 FGADHM Cc1ccc(F)cc1NC(=O)[C@@H](C)Sc1ccc(-c2nnn[n-]2)cc1 ZINC000737347876 598414529 /nfs/dbraw/zinc/41/45/29/598414529.db2.gz RYQCDTQCVFILIZ-LLVKDONJSA-N -1 3 357.414 3.434 20 0 FGADHM Cc1ccc(F)cc1NC(=O)[C@@H](C)Sc1ccc(-c2nn[n-]n2)cc1 ZINC000737347876 598414531 /nfs/dbraw/zinc/41/45/31/598414531.db2.gz RYQCDTQCVFILIZ-LLVKDONJSA-N -1 3 357.414 3.434 20 0 FGADHM COc1ccccc1C[C@@H](C)CC(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000737154181 598421301 /nfs/dbraw/zinc/42/13/01/598421301.db2.gz YGOPLWCYPDPUFJ-CYBMUJFWSA-N -1 3 365.437 3.391 20 0 FGADHM COc1ccccc1C[C@@H](C)CC(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000737154181 598421303 /nfs/dbraw/zinc/42/13/03/598421303.db2.gz YGOPLWCYPDPUFJ-CYBMUJFWSA-N -1 3 365.437 3.391 20 0 FGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H]1CCC[C@H](C)C1 ZINC000736256824 598427835 /nfs/dbraw/zinc/42/78/35/598427835.db2.gz AZXJQHXUKOAARI-YOEHRIQHSA-N -1 3 356.474 3.365 20 0 FGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H]1CCC[C@H](C)C1 ZINC000736256824 598427836 /nfs/dbraw/zinc/42/78/36/598427836.db2.gz AZXJQHXUKOAARI-YOEHRIQHSA-N -1 3 356.474 3.365 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N1CC[C@H](c2ccccc2F)C1 ZINC000738151043 598429031 /nfs/dbraw/zinc/42/90/31/598429031.db2.gz FPNCZOADDURXQZ-ZDUSSCGKSA-N -1 3 352.373 3.027 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N1CC[C@H](c2ccccc2F)C1 ZINC000738151043 598429033 /nfs/dbraw/zinc/42/90/33/598429033.db2.gz FPNCZOADDURXQZ-ZDUSSCGKSA-N -1 3 352.373 3.027 20 0 FGADHM O=C(OCc1ccc(-c2ccccc2)cc1)c1ccc(-c2nnn[n-]2)cn1 ZINC000738236857 598439079 /nfs/dbraw/zinc/43/90/79/598439079.db2.gz SLFNAXCLXLKXQB-UHFFFAOYSA-N -1 3 357.373 3.286 20 0 FGADHM O=C(OCc1ccc(-c2ccccc2)cc1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738236857 598439081 /nfs/dbraw/zinc/43/90/81/598439081.db2.gz SLFNAXCLXLKXQB-UHFFFAOYSA-N -1 3 357.373 3.286 20 0 FGADHM CCCN(Cc1c(F)cccc1Cl)C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000736479088 598443025 /nfs/dbraw/zinc/44/30/25/598443025.db2.gz IVSAZZIYRAKRLK-UHFFFAOYSA-N -1 3 374.807 3.107 20 0 FGADHM CCCN(Cc1c(F)cccc1Cl)C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000736479088 598443027 /nfs/dbraw/zinc/44/30/27/598443027.db2.gz IVSAZZIYRAKRLK-UHFFFAOYSA-N -1 3 374.807 3.107 20 0 FGADHM CCN(C(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1)[C@H]1CCCC[C@H]1C ZINC000736503475 598445056 /nfs/dbraw/zinc/44/50/56/598445056.db2.gz XDYRCVGMBWGELN-YCPHGPKFSA-N -1 3 357.458 3.061 20 0 FGADHM CCN(C(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1)[C@H]1CCCC[C@H]1C ZINC000736503475 598445057 /nfs/dbraw/zinc/44/50/57/598445057.db2.gz XDYRCVGMBWGELN-YCPHGPKFSA-N -1 3 357.458 3.061 20 0 FGADHM Cc1ccc2cccc(NC(=O)C=Cc3ccccc3-c3nnn[n-]3)c2n1 ZINC000737373474 598445939 /nfs/dbraw/zinc/44/59/39/598445939.db2.gz HVZIJDRXUGBILE-QXMHVHEDSA-N -1 3 356.389 3.375 20 0 FGADHM Cc1ccc2cccc(NC(=O)C=Cc3ccccc3-c3nn[n-]n3)c2n1 ZINC000737373474 598445940 /nfs/dbraw/zinc/44/59/40/598445940.db2.gz HVZIJDRXUGBILE-QXMHVHEDSA-N -1 3 356.389 3.375 20 0 FGADHM CC[C@](C)(NC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000736314867 598454906 /nfs/dbraw/zinc/45/49/06/598454906.db2.gz ONRNNQXVJXXVOK-XOBRGWDASA-N -1 3 365.437 3.076 20 0 FGADHM CC[C@](C)(NC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000736314867 598454908 /nfs/dbraw/zinc/45/49/08/598454908.db2.gz ONRNNQXVJXXVOK-XOBRGWDASA-N -1 3 365.437 3.076 20 0 FGADHM Cc1ccc(Cn2nccc2NCc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000737343631 598466614 /nfs/dbraw/zinc/46/66/14/598466614.db2.gz QRPUTCRDOMBPGV-UHFFFAOYSA-N -1 3 351.439 3.094 20 0 FGADHM Cc1ccc(Cn2nccc2NCc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000737343631 598466615 /nfs/dbraw/zinc/46/66/15/598466615.db2.gz QRPUTCRDOMBPGV-UHFFFAOYSA-N -1 3 351.439 3.094 20 0 FGADHM COc1ccccc1C(C)=CC(=O)OCc1cccc(-c2nnn[n-]2)c1 ZINC000737140449 598475059 /nfs/dbraw/zinc/47/50/59/598475059.db2.gz DDJXBLUPSXNBIQ-RAXLEYEMSA-N -1 3 350.378 3.022 20 0 FGADHM COc1ccccc1C(C)=CC(=O)OCc1cccc(-c2nn[n-]n2)c1 ZINC000737140449 598475060 /nfs/dbraw/zinc/47/50/60/598475060.db2.gz DDJXBLUPSXNBIQ-RAXLEYEMSA-N -1 3 350.378 3.022 20 0 FGADHM C[C@H](NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1)c1ccccc1 ZINC000736112022 598476050 /nfs/dbraw/zinc/47/60/50/598476050.db2.gz OQGIERUWWOGDHL-AWEZNQCLSA-N -1 3 362.437 3.302 20 0 FGADHM C[C@H](NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1)c1ccccc1 ZINC000736112022 598476051 /nfs/dbraw/zinc/47/60/51/598476051.db2.gz OQGIERUWWOGDHL-AWEZNQCLSA-N -1 3 362.437 3.302 20 0 FGADHM C[C@@H]1CCC[C@H](CNC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)C1 ZINC000736254307 598479221 /nfs/dbraw/zinc/47/92/21/598479221.db2.gz YNZBNRKASCTRHF-ZBFHGGJFSA-N -1 3 368.485 3.367 20 0 FGADHM C[C@@H]1CCC[C@H](CNC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)C1 ZINC000736254307 598479222 /nfs/dbraw/zinc/47/92/22/598479222.db2.gz YNZBNRKASCTRHF-ZBFHGGJFSA-N -1 3 368.485 3.367 20 0 FGADHM C[C@H](OC(=O)[C@H]1C[C@H]1c1ccc(F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000736148499 598487302 /nfs/dbraw/zinc/48/73/02/598487302.db2.gz DGPCGDBKDVXDRG-GOPGUHFVSA-N -1 3 352.369 3.414 20 0 FGADHM C[C@H](OC(=O)[C@H]1C[C@H]1c1ccc(F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000736148499 598487304 /nfs/dbraw/zinc/48/73/04/598487304.db2.gz DGPCGDBKDVXDRG-GOPGUHFVSA-N -1 3 352.369 3.414 20 0 FGADHM C[C@H](OC(=O)CSc1ccc(F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000736154763 598489095 /nfs/dbraw/zinc/48/90/95/598489095.db2.gz BRMWLKIOCYDMSQ-NSHDSACASA-N -1 3 358.398 3.402 20 0 FGADHM C[C@H](OC(=O)CSc1ccc(F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000736154763 598489097 /nfs/dbraw/zinc/48/90/97/598489097.db2.gz BRMWLKIOCYDMSQ-NSHDSACASA-N -1 3 358.398 3.402 20 0 FGADHM CCOc1ccc(C(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1OC ZINC000736635518 598489671 /nfs/dbraw/zinc/48/96/71/598489671.db2.gz DLBSVVGCCOIJRP-GFCCVEGCSA-N -1 3 368.393 3.192 20 0 FGADHM CCOc1ccc(C(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1OC ZINC000736635518 598489673 /nfs/dbraw/zinc/48/96/73/598489673.db2.gz DLBSVVGCCOIJRP-GFCCVEGCSA-N -1 3 368.393 3.192 20 0 FGADHM C[C@@H](OC(=O)[C@@H]1Cc2ccccc2S1)c1cccc(-c2nnn[n-]2)c1 ZINC000736152460 598490093 /nfs/dbraw/zinc/49/00/93/598490093.db2.gz OMDAYWRPNADBOY-BZNIZROVSA-N -1 3 352.419 3.188 20 0 FGADHM C[C@@H](OC(=O)[C@@H]1Cc2ccccc2S1)c1cccc(-c2nn[n-]n2)c1 ZINC000736152460 598490095 /nfs/dbraw/zinc/49/00/95/598490095.db2.gz OMDAYWRPNADBOY-BZNIZROVSA-N -1 3 352.419 3.188 20 0 FGADHM COc1cccc(CCC(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000737132108 598490838 /nfs/dbraw/zinc/49/08/38/598490838.db2.gz VYGDEBHIAOOBIY-CYBMUJFWSA-N -1 3 352.394 3.112 20 0 FGADHM COc1cccc(CCC(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737132108 598490839 /nfs/dbraw/zinc/49/08/39/598490839.db2.gz VYGDEBHIAOOBIY-CYBMUJFWSA-N -1 3 352.394 3.112 20 0 FGADHM Cc1cc(C)c(OCC(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)c(C)c1 ZINC000737248674 598492399 /nfs/dbraw/zinc/49/23/99/598492399.db2.gz JUUONVOZKULPQM-OAHLLOKOSA-N -1 3 366.421 3.475 20 0 FGADHM Cc1cc(C)c(OCC(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)c(C)c1 ZINC000737248674 598492400 /nfs/dbraw/zinc/49/24/00/598492400.db2.gz JUUONVOZKULPQM-OAHLLOKOSA-N -1 3 366.421 3.475 20 0 FGADHM O=C(Cc1cccc(Cl)c1)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000737967044 598495306 /nfs/dbraw/zinc/49/53/06/598495306.db2.gz SLBNJRJGZIWPBO-UHFFFAOYSA-N -1 3 367.840 3.254 20 0 FGADHM O=C(Cc1cccc(Cl)c1)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000737967044 598495307 /nfs/dbraw/zinc/49/53/07/598495307.db2.gz SLBNJRJGZIWPBO-UHFFFAOYSA-N -1 3 367.840 3.254 20 0 FGADHM Fc1ccc(-c2noc(CSCc3ccccc3-c3nnn[n-]3)n2)cc1 ZINC000737647912 598512348 /nfs/dbraw/zinc/51/23/48/598512348.db2.gz FROXOGFVRGBPFR-UHFFFAOYSA-N -1 3 368.397 3.489 20 0 FGADHM Fc1ccc(-c2noc(CSCc3ccccc3-c3nn[n-]n3)n2)cc1 ZINC000737647912 598512349 /nfs/dbraw/zinc/51/23/49/598512349.db2.gz FROXOGFVRGBPFR-UHFFFAOYSA-N -1 3 368.397 3.489 20 0 FGADHM CCc1c(C)sc(NC(=O)c2cc(OC)ccc2OC)c1-c1nnn[n-]1 ZINC000736674278 598516952 /nfs/dbraw/zinc/51/69/52/598516952.db2.gz BKTIEDKUNBOLDN-UHFFFAOYSA-N -1 3 373.438 3.069 20 0 FGADHM CCc1c(C)sc(NC(=O)c2cc(OC)ccc2OC)c1-c1nn[n-]n1 ZINC000736674278 598516954 /nfs/dbraw/zinc/51/69/54/598516954.db2.gz BKTIEDKUNBOLDN-UHFFFAOYSA-N -1 3 373.438 3.069 20 0 FGADHM CCC[C@@H](Cc1ccccc1)NC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000736426461 598517975 /nfs/dbraw/zinc/51/79/75/598517975.db2.gz PUZJKWBLWAKCFU-IBGZPJMESA-N -1 3 363.465 3.327 20 0 FGADHM CCC[C@@H](Cc1ccccc1)NC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000736426461 598517976 /nfs/dbraw/zinc/51/79/76/598517976.db2.gz PUZJKWBLWAKCFU-IBGZPJMESA-N -1 3 363.465 3.327 20 0 FGADHM CCc1c(C)sc(NC(=O)C=Cc2ccc(OC)cc2)c1-c1nnn[n-]1 ZINC000736669723 598518639 /nfs/dbraw/zinc/51/86/39/598518639.db2.gz IOLLAIBJZWUBHL-YFHOEESVSA-N -1 3 369.450 3.460 20 0 FGADHM CCc1c(C)sc(NC(=O)C=Cc2ccc(OC)cc2)c1-c1nn[n-]n1 ZINC000736669723 598518640 /nfs/dbraw/zinc/51/86/40/598518640.db2.gz IOLLAIBJZWUBHL-YFHOEESVSA-N -1 3 369.450 3.460 20 0 FGADHM CCC[C@@H](Cc1ccccc1)NC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000736425442 598527085 /nfs/dbraw/zinc/52/70/85/598527085.db2.gz GHPQXINTYQFQQF-SFHVURJKSA-N -1 3 364.453 3.077 20 0 FGADHM CCC[C@@H](Cc1ccccc1)NC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000736425442 598527086 /nfs/dbraw/zinc/52/70/86/598527086.db2.gz GHPQXINTYQFQQF-SFHVURJKSA-N -1 3 364.453 3.077 20 0 FGADHM O=C(Nc1cc(C2CC2)nn1-c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738145454 598527689 /nfs/dbraw/zinc/52/76/89/598527689.db2.gz LXUVHGXKAIEVIT-UHFFFAOYSA-N -1 3 371.404 3.182 20 0 FGADHM O=C(Nc1cc(C2CC2)nn1-c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738145454 598527690 /nfs/dbraw/zinc/52/76/90/598527690.db2.gz LXUVHGXKAIEVIT-UHFFFAOYSA-N -1 3 371.404 3.182 20 0 FGADHM CC1(CNC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CCCC1 ZINC000736216818 598532770 /nfs/dbraw/zinc/53/27/70/598532770.db2.gz NEQBXAIKDMZGJT-UHFFFAOYSA-N -1 3 350.879 3.387 20 0 FGADHM CC1(CNC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CCCC1 ZINC000736216818 598532772 /nfs/dbraw/zinc/53/27/72/598532772.db2.gz NEQBXAIKDMZGJT-UHFFFAOYSA-N -1 3 350.879 3.387 20 0 FGADHM Fc1cc(-c2nnn[n-]2)ccc1CNc1nc(C(F)F)nc2ccccc21 ZINC000737639757 598537943 /nfs/dbraw/zinc/53/79/43/598537943.db2.gz FRGBUVHUJGVJSI-UHFFFAOYSA-N -1 3 371.326 3.499 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1CNc1nc(C(F)F)nc2ccccc21 ZINC000737639757 598537945 /nfs/dbraw/zinc/53/79/45/598537945.db2.gz FRGBUVHUJGVJSI-UHFFFAOYSA-N -1 3 371.326 3.499 20 0 FGADHM O=C(COc1ccccc1-c1nnn[n-]1)O[C@H]1CCc2ccc(Cl)cc21 ZINC000737928809 598538255 /nfs/dbraw/zinc/53/82/55/598538255.db2.gz FJMIOYFDDASTLY-INIZCTEOSA-N -1 3 370.796 3.130 20 0 FGADHM O=C(COc1ccccc1-c1nn[n-]n1)O[C@H]1CCc2ccc(Cl)cc21 ZINC000737928809 598538257 /nfs/dbraw/zinc/53/82/57/598538257.db2.gz FJMIOYFDDASTLY-INIZCTEOSA-N -1 3 370.796 3.130 20 0 FGADHM Cc1cc(OCc2cccc(-c3nnn[n-]3)c2)ccc1NC(=O)CC1CC1 ZINC000737279024 598542436 /nfs/dbraw/zinc/54/24/36/598542436.db2.gz GUOGYAPOHAUQPQ-UHFFFAOYSA-N -1 3 363.421 3.493 20 0 FGADHM Cc1cc(OCc2cccc(-c3nn[n-]n3)c2)ccc1NC(=O)CC1CC1 ZINC000737279024 598542437 /nfs/dbraw/zinc/54/24/37/598542437.db2.gz GUOGYAPOHAUQPQ-UHFFFAOYSA-N -1 3 363.421 3.493 20 0 FGADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)C1CCCCCC1 ZINC000738144720 598544768 /nfs/dbraw/zinc/54/47/68/598544768.db2.gz DRASBAWEOCYMAO-UHFFFAOYSA-N -1 3 351.357 3.377 20 0 FGADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)C1CCCCCC1 ZINC000738144720 598544769 /nfs/dbraw/zinc/54/47/69/598544769.db2.gz DRASBAWEOCYMAO-UHFFFAOYSA-N -1 3 351.357 3.377 20 0 FGADHM Cc1cc(C)n(-c2ccc(COc3ccc(-c4nnn[n-]4)c(F)c3)cc2)n1 ZINC000737256204 598547961 /nfs/dbraw/zinc/54/79/61/598547961.db2.gz LQAHZGXRZHNZMK-UHFFFAOYSA-N -1 3 364.384 3.387 20 0 FGADHM Cc1cc(C)n(-c2ccc(COc3ccc(-c4nn[n-]n4)c(F)c3)cc2)n1 ZINC000737256204 598547963 /nfs/dbraw/zinc/54/79/63/598547963.db2.gz LQAHZGXRZHNZMK-UHFFFAOYSA-N -1 3 364.384 3.387 20 0 FGADHM Fc1ccc(-c2cnc(COc3ccc(-c4nnn[n-]4)c(F)c3)o2)cc1 ZINC000737653833 598549301 /nfs/dbraw/zinc/54/93/01/598549301.db2.gz SSHIMZNISWQQDQ-UHFFFAOYSA-N -1 3 355.304 3.379 20 0 FGADHM Fc1ccc(-c2cnc(COc3ccc(-c4nn[n-]n4)c(F)c3)o2)cc1 ZINC000737653833 598549303 /nfs/dbraw/zinc/54/93/03/598549303.db2.gz SSHIMZNISWQQDQ-UHFFFAOYSA-N -1 3 355.304 3.379 20 0 FGADHM CSC[C@H](C)C(=O)Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737179454 598552381 /nfs/dbraw/zinc/55/23/81/598552381.db2.gz KLKUUEVZLIXPSN-LBPRGKRZSA-N -1 3 354.435 3.438 20 0 FGADHM CSC[C@H](C)C(=O)Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737179454 598552383 /nfs/dbraw/zinc/55/23/83/598552383.db2.gz KLKUUEVZLIXPSN-LBPRGKRZSA-N -1 3 354.435 3.438 20 0 FGADHM C[C@@H](NC(=O)Nc1cccc(-c2nnn[n-]2)c1)C(C)(C)c1ccccc1 ZINC000736115731 598554068 /nfs/dbraw/zinc/55/40/68/598554068.db2.gz IJSNAWYGCNCEQM-CYBMUJFWSA-N -1 3 350.426 3.355 20 0 FGADHM C[C@@H](NC(=O)Nc1cccc(-c2nn[n-]n2)c1)C(C)(C)c1ccccc1 ZINC000736115731 598554070 /nfs/dbraw/zinc/55/40/70/598554070.db2.gz IJSNAWYGCNCEQM-CYBMUJFWSA-N -1 3 350.426 3.355 20 0 FGADHM CCO[C@H]1C[C@H]1C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736614827 598554883 /nfs/dbraw/zinc/55/48/83/598554883.db2.gz VVKXDVKVHXDHNJ-SJORKVTESA-N -1 3 365.393 3.023 20 0 FGADHM CCO[C@H]1C[C@H]1C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736614827 598554884 /nfs/dbraw/zinc/55/48/84/598554884.db2.gz VVKXDVKVHXDHNJ-SJORKVTESA-N -1 3 365.393 3.023 20 0 FGADHM Cc1ccc(CN(C)C(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000737338263 598556231 /nfs/dbraw/zinc/55/62/31/598556231.db2.gz ZOCUHHJJQGCLHQ-GFCCVEGCSA-N -1 3 356.455 3.139 20 0 FGADHM Cc1ccc(CN(C)C(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000737338263 598556232 /nfs/dbraw/zinc/55/62/32/598556232.db2.gz ZOCUHHJJQGCLHQ-GFCCVEGCSA-N -1 3 356.455 3.139 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)/C=C/Sc1ccccc1 ZINC000737023093 598557611 /nfs/dbraw/zinc/55/76/11/598557611.db2.gz AGTKSCFDBXGCLR-MDZDMXLPSA-N -1 3 354.391 3.087 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)/C=C/Sc1ccccc1 ZINC000737023093 598557613 /nfs/dbraw/zinc/55/76/13/598557613.db2.gz AGTKSCFDBXGCLR-MDZDMXLPSA-N -1 3 354.391 3.087 20 0 FGADHM COc1cc(C(=O)Oc2c(Cl)cc(-c3nnn[n-]3)cc2OC)ccc1C ZINC000737040574 598564636 /nfs/dbraw/zinc/56/46/36/598564636.db2.gz IAHDRPDAPZVIPZ-UHFFFAOYSA-N -1 3 374.784 3.065 20 0 FGADHM COc1cc(C(=O)Oc2c(Cl)cc(-c3nn[n-]n3)cc2OC)ccc1C ZINC000737040574 598564638 /nfs/dbraw/zinc/56/46/38/598564638.db2.gz IAHDRPDAPZVIPZ-UHFFFAOYSA-N -1 3 374.784 3.065 20 0 FGADHM O=C(Nc1ccccc1-c1nnn[n-]1)c1ccc(Oc2cccnc2)cc1 ZINC000738191052 598572318 /nfs/dbraw/zinc/57/23/18/598572318.db2.gz IEKSLFAFEQFTSF-UHFFFAOYSA-N -1 3 358.361 3.306 20 0 FGADHM O=C(Nc1ccccc1-c1nn[n-]n1)c1ccc(Oc2cccnc2)cc1 ZINC000738191052 598572320 /nfs/dbraw/zinc/57/23/20/598572320.db2.gz IEKSLFAFEQFTSF-UHFFFAOYSA-N -1 3 358.361 3.306 20 0 FGADHM O=C(CCc1ccccc1Br)Nc1ccccc1-c1nnn[n-]1 ZINC000737857078 598573640 /nfs/dbraw/zinc/57/36/40/598573640.db2.gz LGAUUGHUNUPKGQ-UHFFFAOYSA-N -1 3 372.226 3.201 20 0 FGADHM O=C(CCc1ccccc1Br)Nc1ccccc1-c1nn[n-]n1 ZINC000737857078 598573642 /nfs/dbraw/zinc/57/36/42/598573642.db2.gz LGAUUGHUNUPKGQ-UHFFFAOYSA-N -1 3 372.226 3.201 20 0 FGADHM O[C@@H](CNc1nc2c(cc1-c1nnn[n-]1)CCC2)c1ccc2ccccc2c1 ZINC000738382072 598580685 /nfs/dbraw/zinc/58/06/85/598580685.db2.gz JXRAIOAJNMYHFX-IBGZPJMESA-N -1 3 372.432 3.049 20 0 FGADHM O[C@@H](CNc1nc2c(cc1-c1nn[n-]n1)CCC2)c1ccc2ccccc2c1 ZINC000738382072 598580686 /nfs/dbraw/zinc/58/06/86/598580686.db2.gz JXRAIOAJNMYHFX-IBGZPJMESA-N -1 3 372.432 3.049 20 0 FGADHM C[C@H](c1cccc(O)c1)N(C)C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736113330 598582963 /nfs/dbraw/zinc/58/29/63/598582963.db2.gz YGBVACVLLQRMJJ-QWHCGFSZSA-N -1 3 366.425 3.036 20 0 FGADHM C[C@H](c1cccc(O)c1)N(C)C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736113330 598582964 /nfs/dbraw/zinc/58/29/64/598582964.db2.gz YGBVACVLLQRMJJ-QWHCGFSZSA-N -1 3 366.425 3.036 20 0 FGADHM C[C@@H](c1cccc(O)c1)N(C)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736199393 598583212 /nfs/dbraw/zinc/58/32/12/598583212.db2.gz OACNJVVBLHUBJN-JTQLQIEISA-N -1 3 372.816 3.451 20 0 FGADHM C[C@@H](c1cccc(O)c1)N(C)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736199393 598583213 /nfs/dbraw/zinc/58/32/13/598583213.db2.gz OACNJVVBLHUBJN-JTQLQIEISA-N -1 3 372.816 3.451 20 0 FGADHM CSCc1cccc(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)c1 ZINC000737186967 598588050 /nfs/dbraw/zinc/58/80/50/598588050.db2.gz MNGAADUGVUQYAV-MDZDMXLPSA-N -1 3 351.435 3.382 20 0 FGADHM CSCc1cccc(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)c1 ZINC000737186967 598588052 /nfs/dbraw/zinc/58/80/52/598588052.db2.gz MNGAADUGVUQYAV-MDZDMXLPSA-N -1 3 351.435 3.382 20 0 FGADHM CCC[C@@H](NC(=O)CNc1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000736430534 598603334 /nfs/dbraw/zinc/60/33/34/598603334.db2.gz ULTWNMNXTPXMFM-QGZVFWFLSA-N -1 3 368.416 3.075 20 0 FGADHM CCC[C@@H](NC(=O)CNc1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000736430534 598603335 /nfs/dbraw/zinc/60/33/35/598603335.db2.gz ULTWNMNXTPXMFM-QGZVFWFLSA-N -1 3 368.416 3.075 20 0 FGADHM Clc1ccccc1Cc1noc(COc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737584999 598610336 /nfs/dbraw/zinc/61/03/36/598610336.db2.gz VRLCGXDNIJEVDS-UHFFFAOYSA-N -1 3 368.784 3.073 20 0 FGADHM CC1(C)CCCN1C(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000736212092 598613158 /nfs/dbraw/zinc/61/31/58/598613158.db2.gz XKRDAQGRHWRETJ-UHFFFAOYSA-N -1 3 367.409 3.053 20 0 FGADHM CC1(C)CCCN1C(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000736212092 598613159 /nfs/dbraw/zinc/61/31/59/598613159.db2.gz XKRDAQGRHWRETJ-UHFFFAOYSA-N -1 3 367.409 3.053 20 0 FGADHM CCC[C@@H]1CCCC[C@@H]1NC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736434350 598617005 /nfs/dbraw/zinc/61/70/05/598617005.db2.gz DYUQJTXVTOJCTM-WBVHZDCISA-N -1 3 356.474 3.367 20 0 FGADHM CCC[C@@H]1CCCC[C@@H]1NC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736434350 598617007 /nfs/dbraw/zinc/61/70/07/598617007.db2.gz DYUQJTXVTOJCTM-WBVHZDCISA-N -1 3 356.474 3.367 20 0 FGADHM C[C@@H](CNC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC000736019003 598623892 /nfs/dbraw/zinc/62/38/92/598623892.db2.gz YHYMWHZKSSIFMY-JTQLQIEISA-N -1 3 358.352 3.070 20 0 FGADHM C[C@@H](CNC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC000736019003 598623894 /nfs/dbraw/zinc/62/38/94/598623894.db2.gz YHYMWHZKSSIFMY-JTQLQIEISA-N -1 3 358.352 3.070 20 0 FGADHM Cc1ccccc1C(C)(C)CNC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737415793 598627925 /nfs/dbraw/zinc/62/79/25/598627925.db2.gz UPHNDZOMLJDWFE-UHFFFAOYSA-N -1 3 368.416 3.414 20 0 FGADHM Cc1ccccc1C(C)(C)CNC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737415793 598627926 /nfs/dbraw/zinc/62/79/26/598627926.db2.gz UPHNDZOMLJDWFE-UHFFFAOYSA-N -1 3 368.416 3.414 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N1CCC[C@@H]1c1ccsc1 ZINC000738163103 598631738 /nfs/dbraw/zinc/63/17/38/598631738.db2.gz OFNSLQJKUISROH-CQSZACIVSA-N -1 3 358.402 3.436 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N1CCC[C@@H]1c1ccsc1 ZINC000738163103 598631739 /nfs/dbraw/zinc/63/17/39/598631739.db2.gz OFNSLQJKUISROH-CQSZACIVSA-N -1 3 358.402 3.436 20 0 FGADHM O=C(NCCCCc1ccccc1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738054151 598632773 /nfs/dbraw/zinc/63/27/73/598632773.db2.gz MNZNBCRVKKJCDI-UHFFFAOYSA-N -1 3 354.389 3.150 20 0 FGADHM O=C(NCCCCc1ccccc1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738054151 598632775 /nfs/dbraw/zinc/63/27/75/598632775.db2.gz MNZNBCRVKKJCDI-UHFFFAOYSA-N -1 3 354.389 3.150 20 0 FGADHM C[C@H](NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)c1cccs1 ZINC000736096750 598646104 /nfs/dbraw/zinc/64/61/04/598646104.db2.gz BIVDDERKQYLJID-ZDUSSCGKSA-N -1 3 371.466 3.355 20 0 FGADHM C[C@H](NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)c1cccs1 ZINC000736096750 598646106 /nfs/dbraw/zinc/64/61/06/598646106.db2.gz BIVDDERKQYLJID-ZDUSSCGKSA-N -1 3 371.466 3.355 20 0 FGADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)Nc1cc(F)cc(F)c1 ZINC000737833668 598649174 /nfs/dbraw/zinc/64/91/74/598649174.db2.gz ZUXQLEFXRRRROS-UHFFFAOYSA-N -1 3 373.363 3.333 20 0 FGADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)Nc1cc(F)cc(F)c1 ZINC000737833668 598649176 /nfs/dbraw/zinc/64/91/76/598649176.db2.gz ZUXQLEFXRRRROS-UHFFFAOYSA-N -1 3 373.363 3.333 20 0 FGADHM C[C@H]1CCC[C@H](N(C)C(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)C1 ZINC000736250817 598649983 /nfs/dbraw/zinc/64/99/83/598649983.db2.gz MZTWMZLALHMCOU-RDJZCZTQSA-N -1 3 371.485 3.453 20 0 FGADHM C[C@H]1CCC[C@H](N(C)C(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)C1 ZINC000736250817 598649984 /nfs/dbraw/zinc/64/99/84/598649984.db2.gz MZTWMZLALHMCOU-RDJZCZTQSA-N -1 3 371.485 3.453 20 0 FGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)NCCCCc1ccccc1 ZINC000737941577 598651039 /nfs/dbraw/zinc/65/10/39/598651039.db2.gz NPBVACGFHRFLDQ-UHFFFAOYSA-N -1 3 367.478 3.098 20 0 FGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)NCCCCc1ccccc1 ZINC000737941577 598651041 /nfs/dbraw/zinc/65/10/41/598651041.db2.gz NPBVACGFHRFLDQ-UHFFFAOYSA-N -1 3 367.478 3.098 20 0 FGADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)CC[C@@H]1CCCCO1 ZINC000735832327 598651189 /nfs/dbraw/zinc/65/11/89/598651189.db2.gz ZQVOHAIQRQDWMC-SFHVURJKSA-N -1 3 371.485 3.201 20 0 FGADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)CC[C@@H]1CCCCO1 ZINC000735832327 598651190 /nfs/dbraw/zinc/65/11/90/598651190.db2.gz ZQVOHAIQRQDWMC-SFHVURJKSA-N -1 3 371.485 3.201 20 0 FGADHM COCCOc1ccc(CNc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000737015992 598652397 /nfs/dbraw/zinc/65/23/97/598652397.db2.gz SLGWAJVNJCPQEN-UHFFFAOYSA-N -1 3 359.817 3.157 20 0 FGADHM COCCOc1ccc(CNc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000737015992 598652398 /nfs/dbraw/zinc/65/23/98/598652398.db2.gz SLGWAJVNJCPQEN-UHFFFAOYSA-N -1 3 359.817 3.157 20 0 FGADHM CC(C)[C@H](SCc1ccccc1)C(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000735735618 598661480 /nfs/dbraw/zinc/66/14/80/598661480.db2.gz OHURLJCMXPPQBM-INIZCTEOSA-N -1 3 368.466 3.158 20 0 FGADHM CC(C)[C@H](SCc1ccccc1)C(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000735735618 598661482 /nfs/dbraw/zinc/66/14/82/598661482.db2.gz OHURLJCMXPPQBM-INIZCTEOSA-N -1 3 368.466 3.158 20 0 FGADHM Fc1ccc2c(C3CCN(c4ncccc4-c4nnn[n-]4)CC3)c[nH]c2c1 ZINC000737655581 598676934 /nfs/dbraw/zinc/67/69/34/598676934.db2.gz AFWPPSCHECXWPY-UHFFFAOYSA-N -1 3 363.400 3.266 20 0 FGADHM Fc1ccc2c(C3CCN(c4ncccc4-c4nn[n-]n4)CC3)c[nH]c2c1 ZINC000737655581 598676937 /nfs/dbraw/zinc/67/69/37/598676937.db2.gz AFWPPSCHECXWPY-UHFFFAOYSA-N -1 3 363.400 3.266 20 0 FGADHM Cc1oc(NC(=O)CN(C)[C@H](C)c2ccc(C)cc2)c(-c2nnn[n-]2)c1C ZINC000822229390 607364452 /nfs/dbraw/zinc/36/44/52/607364452.db2.gz TWIWTXPQPLIEOI-CYBMUJFWSA-N -1 3 368.441 3.016 20 0 FGADHM Cc1cccc(C2(C(=O)OCc3ccc(F)cc3-c3nnn[n-]3)CCC2)c1 ZINC000737389644 598704704 /nfs/dbraw/zinc/70/47/04/598704704.db2.gz MJYZYBRUSOMMTM-UHFFFAOYSA-N -1 3 366.396 3.479 20 0 FGADHM Cc1cccc(C2(C(=O)OCc3ccc(F)cc3-c3nn[n-]n3)CCC2)c1 ZINC000737389644 598704706 /nfs/dbraw/zinc/70/47/06/598704706.db2.gz MJYZYBRUSOMMTM-UHFFFAOYSA-N -1 3 366.396 3.479 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)C1(c2ccc(F)cc2)CCC1 ZINC000738232060 598705677 /nfs/dbraw/zinc/70/56/77/598705677.db2.gz OISDTAZPRSRFJJ-UHFFFAOYSA-N -1 3 370.359 3.310 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)C1(c2ccc(F)cc2)CCC1 ZINC000738232060 598705678 /nfs/dbraw/zinc/70/56/78/598705678.db2.gz OISDTAZPRSRFJJ-UHFFFAOYSA-N -1 3 370.359 3.310 20 0 FGADHM Cc1[nH]c2ccccc2c1CC(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737199365 598706105 /nfs/dbraw/zinc/70/61/05/598706105.db2.gz MSSLGUAMFDAXMZ-UHFFFAOYSA-N -1 3 365.368 3.081 20 0 FGADHM Cc1[nH]c2ccccc2c1CC(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737199365 598706107 /nfs/dbraw/zinc/70/61/07/598706107.db2.gz MSSLGUAMFDAXMZ-UHFFFAOYSA-N -1 3 365.368 3.081 20 0 FGADHM C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)N1Cc1ccc(-c2nnn[n-]2)cc1F ZINC000736295670 598706847 /nfs/dbraw/zinc/70/68/47/598706847.db2.gz WAPWIPUVQFXIDH-PJIJBLCYSA-N -1 3 367.428 3.356 20 0 FGADHM C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)N1Cc1ccc(-c2nn[n-]n2)cc1F ZINC000736295670 598706849 /nfs/dbraw/zinc/70/68/49/598706849.db2.gz WAPWIPUVQFXIDH-PJIJBLCYSA-N -1 3 367.428 3.356 20 0 FGADHM CC[C@H]1c2ccsc2CCN1C(=O)C=Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736413217 598709466 /nfs/dbraw/zinc/70/94/66/598709466.db2.gz WEALAAMWJNTDHO-SBSDFTTDSA-N -1 3 365.462 3.477 20 0 FGADHM CC[C@H]1c2ccsc2CCN1C(=O)C=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736413217 598709467 /nfs/dbraw/zinc/70/94/67/598709467.db2.gz WEALAAMWJNTDHO-SBSDFTTDSA-N -1 3 365.462 3.477 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)c1c[nH]c2cc(Cl)ccc12 ZINC000738232505 598711608 /nfs/dbraw/zinc/71/16/08/598711608.db2.gz RKTFRHOEUCDCLZ-UHFFFAOYSA-N -1 3 371.759 3.498 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)c1c[nH]c2cc(Cl)ccc12 ZINC000738232505 598711610 /nfs/dbraw/zinc/71/16/10/598711610.db2.gz RKTFRHOEUCDCLZ-UHFFFAOYSA-N -1 3 371.759 3.498 20 0 FGADHM CC(C)OCCOC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735904411 598712312 /nfs/dbraw/zinc/71/23/12/598712312.db2.gz OPUZTVBBBJCVLW-UHFFFAOYSA-N -1 3 368.393 3.241 20 0 FGADHM CC(C)OCCOC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735904411 598712314 /nfs/dbraw/zinc/71/23/14/598712314.db2.gz OPUZTVBBBJCVLW-UHFFFAOYSA-N -1 3 368.393 3.241 20 0 FGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)OC/C=C/c1ccccc1 ZINC000737948964 598715838 /nfs/dbraw/zinc/71/58/38/598715838.db2.gz UMTXFDPVWARIFU-QPJJXVBHSA-N -1 3 352.419 3.215 20 0 FGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)OC/C=C/c1ccccc1 ZINC000737948964 598715839 /nfs/dbraw/zinc/71/58/39/598715839.db2.gz UMTXFDPVWARIFU-QPJJXVBHSA-N -1 3 352.419 3.215 20 0 FGADHM O=C(COc1ccc(-c2nn[n-]n2)cc1)O[C@H]1CCc2c1cccc2Cl ZINC000737918490 598740436 /nfs/dbraw/zinc/74/04/36/598740436.db2.gz HLEVASFWIRWEKP-INIZCTEOSA-N -1 3 370.796 3.130 20 0 FGADHM O=C(COc1ccc(-c2nn[n-]n2)cc1)O[C@@H]1CCc2c1cccc2Cl ZINC000737918491 598740558 /nfs/dbraw/zinc/74/05/58/598740558.db2.gz HLEVASFWIRWEKP-MRXNPFEDSA-N -1 3 370.796 3.130 20 0 FGADHM C[C@@H](NC(=O)c1ncoc1-c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736123790 598741608 /nfs/dbraw/zinc/74/16/08/598741608.db2.gz DGLTXPJEXGRIAZ-GFCCVEGCSA-N -1 3 360.377 3.013 20 0 FGADHM C[C@@H](NC(=O)c1ncoc1-c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736123790 598741610 /nfs/dbraw/zinc/74/16/10/598741610.db2.gz DGLTXPJEXGRIAZ-GFCCVEGCSA-N -1 3 360.377 3.013 20 0 FGADHM CCS[C@H]1CCCCN(C(=O)C=Cc2ccccc2-c2nnn[n-]2)C1 ZINC000736668326 598742769 /nfs/dbraw/zinc/74/27/69/598742769.db2.gz ZPWCREDLRISQTC-NKSUMMKUSA-N -1 3 357.483 3.014 20 0 FGADHM CCS[C@H]1CCCCN(C(=O)C=Cc2ccccc2-c2nn[n-]n2)C1 ZINC000736668326 598742770 /nfs/dbraw/zinc/74/27/70/598742770.db2.gz ZPWCREDLRISQTC-NKSUMMKUSA-N -1 3 357.483 3.014 20 0 FGADHM Cc1nccn1-c1ccccc1CNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000737501825 598747241 /nfs/dbraw/zinc/74/72/41/598747241.db2.gz KWQGUJZBWSCULY-UHFFFAOYSA-N -1 3 366.816 3.021 20 0 FGADHM Cc1nccn1-c1ccccc1CNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000737501825 598747242 /nfs/dbraw/zinc/74/72/42/598747242.db2.gz KWQGUJZBWSCULY-UHFFFAOYSA-N -1 3 366.816 3.021 20 0 FGADHM Cc1ccc(C)n1C1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)CC1 ZINC000737328317 598747537 /nfs/dbraw/zinc/74/75/37/598747537.db2.gz FZDQHXYPIKEPSK-UHFFFAOYSA-N -1 3 357.849 3.175 20 0 FGADHM Cc1ccc(C)n1C1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000737328317 598747538 /nfs/dbraw/zinc/74/75/38/598747538.db2.gz FZDQHXYPIKEPSK-UHFFFAOYSA-N -1 3 357.849 3.175 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H](CC)Cc1ccccc1 ZINC000736636190 598763174 /nfs/dbraw/zinc/76/31/74/598763174.db2.gz PFBRSPTUUZRSPE-OAHLLOKOSA-N -1 3 365.437 3.473 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H](CC)Cc1ccccc1 ZINC000736636190 598763176 /nfs/dbraw/zinc/76/31/76/598763176.db2.gz PFBRSPTUUZRSPE-OAHLLOKOSA-N -1 3 365.437 3.473 20 0 FGADHM CSc1ccc(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)CC(C)C)o1 ZINC000737191957 598763787 /nfs/dbraw/zinc/76/37/87/598763787.db2.gz FLLDHRATVSOOBH-UHFFFAOYSA-N -1 3 371.466 3.480 20 0 FGADHM CSc1ccc(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)CC(C)C)o1 ZINC000737191957 598763790 /nfs/dbraw/zinc/76/37/90/598763790.db2.gz FLLDHRATVSOOBH-UHFFFAOYSA-N -1 3 371.466 3.480 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)c1cnc(-c2ccco2)s1 ZINC000738234374 598781348 /nfs/dbraw/zinc/78/13/48/598781348.db2.gz DOYDUEHQUQYZCE-UHFFFAOYSA-N -1 3 371.353 3.079 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)c1cnc(-c2ccco2)s1 ZINC000738234374 598781349 /nfs/dbraw/zinc/78/13/49/598781349.db2.gz DOYDUEHQUQYZCE-UHFFFAOYSA-N -1 3 371.353 3.079 20 0 FGADHM CC(C)CN(C(=O)CO[C@@H]1CCC[C@H](C)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000735819498 598789519 /nfs/dbraw/zinc/78/95/19/598789519.db2.gz WRUXYMPSDGHJAK-MAUKXSAKSA-N -1 3 371.485 3.451 20 0 FGADHM CC(C)CN(C(=O)CO[C@@H]1CCC[C@H](C)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000735819498 598789521 /nfs/dbraw/zinc/78/95/21/598789521.db2.gz WRUXYMPSDGHJAK-MAUKXSAKSA-N -1 3 371.485 3.451 20 0 FGADHM CC(C)[C@H](c1ccccc1)N(C)C(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000735733472 598790917 /nfs/dbraw/zinc/79/09/17/598790917.db2.gz AWUCDUCATNJXOP-LJQANCHMSA-N -1 3 365.437 3.101 20 0 FGADHM CCc1c(C)sc(NC(=O)CO[C@H]2CCC[C@@H](C)C2)c1-c1nnn[n-]1 ZINC000736672215 598791582 /nfs/dbraw/zinc/79/15/82/598791582.db2.gz ZZOJAQZTXKUBDG-PWSUYJOCSA-N -1 3 363.487 3.333 20 0 FGADHM CCc1c(C)sc(NC(=O)CO[C@H]2CCC[C@@H](C)C2)c1-c1nn[n-]n1 ZINC000736672215 598791583 /nfs/dbraw/zinc/79/15/83/598791583.db2.gz ZZOJAQZTXKUBDG-PWSUYJOCSA-N -1 3 363.487 3.333 20 0 FGADHM O=C(c1cccc(-c2nnn[n-]2)c1)N1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000738266538 598794452 /nfs/dbraw/zinc/79/44/52/598794452.db2.gz GHDXYUWGVKDQTR-INIZCTEOSA-N -1 3 355.348 3.122 20 0 FGADHM O=C(c1cccc(-c2nn[n-]n2)c1)N1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000738266538 598794454 /nfs/dbraw/zinc/79/44/54/598794454.db2.gz GHDXYUWGVKDQTR-INIZCTEOSA-N -1 3 355.348 3.122 20 0 FGADHM CCn1cc(C2CCN(c3ccc(Cl)cc3-c3nnn[n-]3)CC2)cn1 ZINC000736721393 598795365 /nfs/dbraw/zinc/79/53/65/598795365.db2.gz FZPVJLMUAOZGCD-UHFFFAOYSA-N -1 3 357.849 3.121 20 0 FGADHM CCn1cc(C2CCN(c3ccc(Cl)cc3-c3nn[n-]n3)CC2)cn1 ZINC000736721393 598795366 /nfs/dbraw/zinc/79/53/66/598795366.db2.gz FZPVJLMUAOZGCD-UHFFFAOYSA-N -1 3 357.849 3.121 20 0 FGADHM CC[C@H](OC1CCCC1)C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000736377993 598802248 /nfs/dbraw/zinc/80/22/48/598802248.db2.gz PYMKAJDWYUZIJK-SFHVURJKSA-N -1 3 369.469 3.096 20 0 FGADHM CC[C@H](OC1CCCC1)C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000736377993 598802250 /nfs/dbraw/zinc/80/22/50/598802250.db2.gz PYMKAJDWYUZIJK-SFHVURJKSA-N -1 3 369.469 3.096 20 0 FGADHM CC(C)C[C@H](C)CC(=O)Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000735760544 598808214 /nfs/dbraw/zinc/80/82/14/598808214.db2.gz CXQZVULLOAAHGW-ZDUSSCGKSA-N -1 3 353.430 3.063 20 0 FGADHM CC[C@H](C)[C@@H](C)NC(=O)c1cc(C2CC2)nc(SC)c1-c1nnn[n-]1 ZINC000736326095 598810381 /nfs/dbraw/zinc/81/03/81/598810381.db2.gz BIYIFZPYBCPBLL-VHSXEESVSA-N -1 3 360.487 3.025 20 0 FGADHM CCOc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)ccc1C ZINC000736626920 598821542 /nfs/dbraw/zinc/82/15/42/598821542.db2.gz MTENJKXFXHWMBV-UHFFFAOYSA-N -1 3 357.801 3.480 20 0 FGADHM CCOc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)ccc1C ZINC000736626920 598821543 /nfs/dbraw/zinc/82/15/43/598821543.db2.gz MTENJKXFXHWMBV-UHFFFAOYSA-N -1 3 357.801 3.480 20 0 FGADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)c1coc2ccccc12 ZINC000737027019 598822029 /nfs/dbraw/zinc/82/20/29/598822029.db2.gz XIQOBQQMUFBSKW-UHFFFAOYSA-N -1 3 370.752 3.494 20 0 FGADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)c1coc2ccccc12 ZINC000737027019 598822030 /nfs/dbraw/zinc/82/20/30/598822030.db2.gz XIQOBQQMUFBSKW-UHFFFAOYSA-N -1 3 370.752 3.494 20 0 FGADHM CC(C)(C)[C@@H]1OCCC[C@H]1CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC000735597169 599304565 /nfs/dbraw/zinc/30/45/65/599304565.db2.gz MVCPUXASBJCJDO-GXFFZTMASA-N -1 3 350.854 3.168 20 0 FGADHM CC(C)(C)[C@@H]1OCCC[C@H]1CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC000735597169 599304567 /nfs/dbraw/zinc/30/45/67/599304567.db2.gz MVCPUXASBJCJDO-GXFFZTMASA-N -1 3 350.854 3.168 20 0 FGADHM C[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCO[C@H](c2ccccc2F)C1 ZINC000736200018 599313985 /nfs/dbraw/zinc/31/39/85/599313985.db2.gz QSSIMHDICHYIDA-UGSOOPFHSA-N -1 3 353.401 3.140 20 0 FGADHM CC(C)c1cccc(S(=O)(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000820198166 599324376 /nfs/dbraw/zinc/32/43/76/599324376.db2.gz RGDYAIVZNLXDLY-ZDUSSCGKSA-N -1 3 371.466 3.030 20 0 FGADHM CC(C)c1cccc(S(=O)(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000820198166 599324378 /nfs/dbraw/zinc/32/43/78/599324378.db2.gz RGDYAIVZNLXDLY-ZDUSSCGKSA-N -1 3 371.466 3.030 20 0 FGADHM FC(F)(F)Oc1ccc(NCCOc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737627910 599326991 /nfs/dbraw/zinc/32/69/91/599326991.db2.gz RKUIGDSFKGWWIJ-UHFFFAOYSA-N -1 3 365.315 3.256 20 0 FGADHM FC(F)(F)Oc1ccc(NCCOc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737627910 599326994 /nfs/dbraw/zinc/32/69/94/599326994.db2.gz RKUIGDSFKGWWIJ-UHFFFAOYSA-N -1 3 365.315 3.256 20 0 FGADHM CCCCS(=O)(=O)Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736464396 599332919 /nfs/dbraw/zinc/33/29/19/599332919.db2.gz ZBBBYJNWAFLUKL-UHFFFAOYSA-N -1 3 358.423 3.042 20 0 FGADHM CCCCS(=O)(=O)Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736464396 599332922 /nfs/dbraw/zinc/33/29/22/599332922.db2.gz ZBBBYJNWAFLUKL-UHFFFAOYSA-N -1 3 358.423 3.042 20 0 FGADHM CC(=O)N(c1nc(CSc2ccccc2-c2nnn[n-]2)cs1)C1CC1 ZINC000819788098 599342224 /nfs/dbraw/zinc/34/22/24/599342224.db2.gz AUHUPNGERBFSSY-UHFFFAOYSA-N -1 3 372.479 3.131 20 0 FGADHM CC(=O)N(c1nc(CSc2ccccc2-c2nn[n-]n2)cs1)C1CC1 ZINC000819788098 599342226 /nfs/dbraw/zinc/34/22/26/599342226.db2.gz AUHUPNGERBFSSY-UHFFFAOYSA-N -1 3 372.479 3.131 20 0 FGADHM CC(C)n1cc2cc(NC(=O)C=Cc3ccccc3-c3nnn[n-]3)ccc2n1 ZINC000735959751 599343417 /nfs/dbraw/zinc/34/34/17/599343417.db2.gz BKLNGYIBHLZIBK-JXMROGBWSA-N -1 3 373.420 3.449 20 0 FGADHM CC(C)n1cc2cc(NC(=O)C=Cc3ccccc3-c3nn[n-]n3)ccc2n1 ZINC000735959751 599343420 /nfs/dbraw/zinc/34/34/20/599343420.db2.gz BKLNGYIBHLZIBK-JXMROGBWSA-N -1 3 373.420 3.449 20 0 FGADHM O=C1[C@@H](Sc2ccccc2-c2nnn[n-]2)CCN1c1ccc(Cl)cc1 ZINC000823514437 599344024 /nfs/dbraw/zinc/34/40/24/599344024.db2.gz ZMHVRYGLTIJNBA-HNNXBMFYSA-N -1 3 371.853 3.418 20 0 FGADHM O=C1[C@@H](Sc2ccccc2-c2nn[n-]n2)CCN1c1ccc(Cl)cc1 ZINC000823514437 599344026 /nfs/dbraw/zinc/34/40/26/599344026.db2.gz ZMHVRYGLTIJNBA-HNNXBMFYSA-N -1 3 371.853 3.418 20 0 FGADHM Fc1ccc(-n2ccc(CSc3ccccc3-c3nnn[n-]3)n2)cc1 ZINC000822761324 599345472 /nfs/dbraw/zinc/34/54/72/599345472.db2.gz INSLRWOCTNSAOS-UHFFFAOYSA-N -1 3 352.398 3.484 20 0 FGADHM Fc1ccc(-n2ccc(CSc3ccccc3-c3nn[n-]n3)n2)cc1 ZINC000822761324 599345473 /nfs/dbraw/zinc/34/54/73/599345473.db2.gz INSLRWOCTNSAOS-UHFFFAOYSA-N -1 3 352.398 3.484 20 0 FGADHM C[C@H](Sc1ccccc1-c1nnn[n-]1)C(=O)Nc1c(F)cccc1F ZINC000820555328 599349828 /nfs/dbraw/zinc/34/98/28/599349828.db2.gz JIGSNWGVCYBTOG-VIFPVBQESA-N -1 3 361.377 3.264 20 0 FGADHM C[C@H](Sc1ccccc1-c1nn[n-]n1)C(=O)Nc1c(F)cccc1F ZINC000820555328 599349830 /nfs/dbraw/zinc/34/98/30/599349830.db2.gz JIGSNWGVCYBTOG-VIFPVBQESA-N -1 3 361.377 3.264 20 0 FGADHM CCCCC[C@@H](O)CC(=O)N(CC)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736440228 599359456 /nfs/dbraw/zinc/35/94/56/599359456.db2.gz BFNFTUYYNZFNLX-RHSMWYFYSA-N -1 3 359.474 3.108 20 0 FGADHM CCCCC[C@@H](O)CC(=O)N(CC)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736440228 599359459 /nfs/dbraw/zinc/35/94/59/599359459.db2.gz BFNFTUYYNZFNLX-RHSMWYFYSA-N -1 3 359.474 3.108 20 0 FGADHM CN(Cc1cccs1)c1ccc(Br)cc1-c1nnn[n-]1 ZINC000736829935 599361747 /nfs/dbraw/zinc/36/17/47/599361747.db2.gz MUBGEIYWLVJKMP-UHFFFAOYSA-N -1 3 350.245 3.327 20 0 FGADHM CN(Cc1cccs1)c1ccc(Br)cc1-c1nn[n-]n1 ZINC000736829935 599361750 /nfs/dbraw/zinc/36/17/50/599361750.db2.gz MUBGEIYWLVJKMP-UHFFFAOYSA-N -1 3 350.245 3.327 20 0 FGADHM COCc1ccccc1CNc1ccc(Br)cc1-c1nnn[n-]1 ZINC000737021954 599362465 /nfs/dbraw/zinc/36/24/65/599362465.db2.gz FKXODDUPWKZLSM-UHFFFAOYSA-N -1 3 374.242 3.388 20 0 FGADHM COCc1ccccc1CNc1ccc(Br)cc1-c1nn[n-]n1 ZINC000737021954 599362467 /nfs/dbraw/zinc/36/24/67/599362467.db2.gz FKXODDUPWKZLSM-UHFFFAOYSA-N -1 3 374.242 3.388 20 0 FGADHM C[C@H]1CCc2c(sc(NC(=O)c3ccc(Cl)cn3)c2-c2nnn[n-]2)C1 ZINC000736280267 599369287 /nfs/dbraw/zinc/36/92/87/599369287.db2.gz PMSVJXHDCQSDSP-QMMMGPOBSA-N -1 3 374.857 3.354 20 0 FGADHM C[C@H]1CCc2c(sc(NC(=O)c3ccc(Cl)cn3)c2-c2nn[n-]n2)C1 ZINC000736280267 599369289 /nfs/dbraw/zinc/36/92/89/599369289.db2.gz PMSVJXHDCQSDSP-QMMMGPOBSA-N -1 3 374.857 3.354 20 0 FGADHM C[C@@H](NC(=O)C(C)(C)c1cccc(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736100565 599371363 /nfs/dbraw/zinc/37/13/63/599371363.db2.gz ZHBWJFSQLMHKQR-GFCCVEGCSA-N -1 3 353.401 3.161 20 0 FGADHM C[C@@H](NC(=O)C(C)(C)c1cccc(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736100565 599371365 /nfs/dbraw/zinc/37/13/65/599371365.db2.gz ZHBWJFSQLMHKQR-GFCCVEGCSA-N -1 3 353.401 3.161 20 0 FGADHM C[C@@H]1CC[C@@H](OC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)[C@@H](C)C1 ZINC000736243946 599375113 /nfs/dbraw/zinc/37/51/13/599375113.db2.gz BKNGHCFWYLLBSX-DVOMOZLQSA-N -1 3 360.483 3.468 20 0 FGADHM C[C@@H]1CC[C@@H](OC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)[C@@H](C)C1 ZINC000736243946 599375116 /nfs/dbraw/zinc/37/51/16/599375116.db2.gz BKNGHCFWYLLBSX-DVOMOZLQSA-N -1 3 360.483 3.468 20 0 FGADHM C[C@@H](NC(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1Cl ZINC000736112155 599378101 /nfs/dbraw/zinc/37/81/01/599378101.db2.gz QIPIMVREZDLUOP-SNVBAGLBSA-N -1 3 359.792 3.079 20 0 FGADHM C[C@@H](NC(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1Cl ZINC000736112155 599378104 /nfs/dbraw/zinc/37/81/04/599378104.db2.gz QIPIMVREZDLUOP-SNVBAGLBSA-N -1 3 359.792 3.079 20 0 FGADHM CCc1cccc(C)c1NC(=O)COc1c(C)cc(-c2nn[n-]n2)cc1C ZINC000821492746 599386125 /nfs/dbraw/zinc/38/61/25/599386125.db2.gz VZEYRCHZPRTVFT-UHFFFAOYSA-N -1 3 365.437 3.372 20 0 FGADHM Cc1cc(-c2nn[n-]n2)cc(C)c1OCCCOc1ccc2c(c1)OCO2 ZINC000822130804 599389683 /nfs/dbraw/zinc/38/96/83/599389683.db2.gz YSLILDVJWLGHGI-UHFFFAOYSA-N -1 3 368.393 3.060 20 0 FGADHM C[C@@H](NC(=O)NCCc1cccc(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820368220 599401201 /nfs/dbraw/zinc/40/12/01/599401201.db2.gz YCMZKAYAJFUQCS-GFCCVEGCSA-N -1 3 370.844 3.123 20 0 FGADHM C[C@@H](NC(=O)NCCc1cccc(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820368220 599401202 /nfs/dbraw/zinc/40/12/02/599401202.db2.gz YCMZKAYAJFUQCS-GFCCVEGCSA-N -1 3 370.844 3.123 20 0 FGADHM O=C1CCCN1c1cccc(CNc2cc(Cl)ccc2-c2nnn[n-]2)c1 ZINC000738303098 599410800 /nfs/dbraw/zinc/41/08/00/599410800.db2.gz BYSKJEBUUBNANK-UHFFFAOYSA-N -1 3 368.828 3.259 20 0 FGADHM O=C1CCCN1c1cccc(CNc2cc(Cl)ccc2-c2nn[n-]n2)c1 ZINC000738303098 599410802 /nfs/dbraw/zinc/41/08/02/599410802.db2.gz BYSKJEBUUBNANK-UHFFFAOYSA-N -1 3 368.828 3.259 20 0 FGADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)N[C@H](CC1CC1)c1ccccc1 ZINC000823257317 599415175 /nfs/dbraw/zinc/41/51/75/599415175.db2.gz IFVIZLAPVMQMKJ-GOSISDBHSA-N -1 3 362.437 3.207 20 0 FGADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)N[C@H](CC1CC1)c1ccccc1 ZINC000823257317 599415179 /nfs/dbraw/zinc/41/51/79/599415179.db2.gz IFVIZLAPVMQMKJ-GOSISDBHSA-N -1 3 362.437 3.207 20 0 FGADHM CN(C[C@@H]1OCCc2ccccc21)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000736790435 599425035 /nfs/dbraw/zinc/42/50/35/599425035.db2.gz HWYIPDWRXYAWGT-KRWDZBQOSA-N -1 3 355.829 3.270 20 0 FGADHM CN(C[C@@H]1OCCc2ccccc21)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000736790435 599425036 /nfs/dbraw/zinc/42/50/36/599425036.db2.gz HWYIPDWRXYAWGT-KRWDZBQOSA-N -1 3 355.829 3.270 20 0 FGADHM Cc1cc(C)c(CNC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c(C)c1 ZINC000822194095 599425864 /nfs/dbraw/zinc/42/58/64/599425864.db2.gz IJFHDPNHSWJTSW-HNNXBMFYSA-N -1 3 364.453 3.352 20 0 FGADHM Cc1cc(C)c(CNC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c(C)c1 ZINC000822194095 599425866 /nfs/dbraw/zinc/42/58/66/599425866.db2.gz IJFHDPNHSWJTSW-HNNXBMFYSA-N -1 3 364.453 3.352 20 0 FGADHM Cc1ccc([C@H](C)NC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1C ZINC000822229695 599426305 /nfs/dbraw/zinc/42/63/05/599426305.db2.gz ZTYFODFXTVWYLI-ZDUSSCGKSA-N -1 3 368.416 3.183 20 0 FGADHM Cc1ccc([C@H](C)NC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1C ZINC000822229695 599426308 /nfs/dbraw/zinc/42/63/08/599426308.db2.gz ZTYFODFXTVWYLI-ZDUSSCGKSA-N -1 3 368.416 3.183 20 0 FGADHM Fc1ccccc1C1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)CC1 ZINC000737664941 599441667 /nfs/dbraw/zinc/44/16/67/599441667.db2.gz QNCRLHRESGTWAV-UHFFFAOYSA-N -1 3 358.808 3.438 20 0 FGADHM Fc1ccccc1C1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000737664941 599441669 /nfs/dbraw/zinc/44/16/69/599441669.db2.gz QNCRLHRESGTWAV-UHFFFAOYSA-N -1 3 358.808 3.438 20 0 FGADHM C[C@H](NC(=O)N[C@H]1C[C@@H]1C1CCCCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820356877 599447075 /nfs/dbraw/zinc/44/70/75/599447075.db2.gz BRFQFNPKTACPII-VUCTXSBTSA-N -1 3 354.458 3.196 20 0 FGADHM C[C@H](NC(=O)N[C@H]1C[C@@H]1C1CCCCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820356877 599447077 /nfs/dbraw/zinc/44/70/77/599447077.db2.gz BRFQFNPKTACPII-VUCTXSBTSA-N -1 3 354.458 3.196 20 0 FGADHM Cc1ccccc1[C@H](C)N(C)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822345762 599464350 /nfs/dbraw/zinc/46/43/50/599464350.db2.gz QWYSWXQDDJVHJQ-ZDUSSCGKSA-N -1 3 368.416 3.217 20 0 FGADHM Cc1ccccc1[C@H](C)N(C)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822345762 599464351 /nfs/dbraw/zinc/46/43/51/599464351.db2.gz QWYSWXQDDJVHJQ-ZDUSSCGKSA-N -1 3 368.416 3.217 20 0 FGADHM O=C(NCCCCC1CCCC1)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000823187699 599464538 /nfs/dbraw/zinc/46/45/38/599464538.db2.gz OBJATVLGTBPMKV-UHFFFAOYSA-N -1 3 360.437 3.166 20 0 FGADHM O=C(NCCCCC1CCCC1)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000823187699 599464541 /nfs/dbraw/zinc/46/45/41/599464541.db2.gz OBJATVLGTBPMKV-UHFFFAOYSA-N -1 3 360.437 3.166 20 0 FGADHM CC(C)(NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1cccc(F)c1 ZINC000735671790 599464697 /nfs/dbraw/zinc/46/46/97/599464697.db2.gz IYSPMQPEOVWGQQ-KHPPLWFESA-N -1 3 351.385 3.071 20 0 FGADHM CC(C)(NC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1cccc(F)c1 ZINC000735671790 599464702 /nfs/dbraw/zinc/46/47/02/599464702.db2.gz IYSPMQPEOVWGQQ-KHPPLWFESA-N -1 3 351.385 3.071 20 0 FGADHM CC(C)NC(=O)Nc1ccc(CNc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000820137325 599473674 /nfs/dbraw/zinc/47/36/74/599473674.db2.gz JKPRGGMNAKRYCU-UHFFFAOYSA-N -1 3 369.404 3.148 20 0 FGADHM CC(C)NC(=O)Nc1ccc(CNc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000820137325 599473675 /nfs/dbraw/zinc/47/36/75/599473675.db2.gz JKPRGGMNAKRYCU-UHFFFAOYSA-N -1 3 369.404 3.148 20 0 FGADHM Clc1ccc(CCNc2c(-c3nnn[n-]3)cnc3ccccc32)s1 ZINC000822573670 599481052 /nfs/dbraw/zinc/48/10/52/599481052.db2.gz CRKODMADCIBEMT-UHFFFAOYSA-N -1 3 356.842 3.206 20 0 FGADHM Clc1ccc(CCNc2c(-c3nn[n-]n3)cnc3ccccc32)s1 ZINC000822573670 599481053 /nfs/dbraw/zinc/48/10/53/599481053.db2.gz CRKODMADCIBEMT-UHFFFAOYSA-N -1 3 356.842 3.206 20 0 FGADHM CCC(CC)(C(=O)NCc1cc(-c2nnn[n-]2)ccc1F)c1ccccc1 ZINC000820881634 599493927 /nfs/dbraw/zinc/49/39/27/599493927.db2.gz CDZDXNNKQUJXAD-UHFFFAOYSA-N -1 3 367.428 3.380 20 0 FGADHM CCC(CC)(C(=O)NCc1cc(-c2nn[n-]n2)ccc1F)c1ccccc1 ZINC000820881634 599493928 /nfs/dbraw/zinc/49/39/28/599493928.db2.gz CDZDXNNKQUJXAD-UHFFFAOYSA-N -1 3 367.428 3.380 20 0 FGADHM CN(C(=O)[C@@H]1C[C@]12CCCc1ccccc12)c1cccc(-c2nnn[n-]2)c1 ZINC000821569664 599494722 /nfs/dbraw/zinc/49/47/22/599494722.db2.gz RJMUCMYCUPXWDV-RXVVDRJESA-N -1 3 359.433 3.124 20 0 FGADHM CN(C(=O)[C@@H]1C[C@]12CCCc1ccccc12)c1cccc(-c2nn[n-]n2)c1 ZINC000821569664 599494725 /nfs/dbraw/zinc/49/47/25/599494725.db2.gz RJMUCMYCUPXWDV-RXVVDRJESA-N -1 3 359.433 3.124 20 0 FGADHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(N(C)Cc3cscn3)c2c1 ZINC000822194914 599495907 /nfs/dbraw/zinc/49/59/07/599495907.db2.gz AJLJUWPPQJJGDX-UHFFFAOYSA-N -1 3 351.439 3.125 20 0 FGADHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(N(C)Cc3cscn3)c2c1 ZINC000822194914 599495908 /nfs/dbraw/zinc/49/59/08/599495908.db2.gz AJLJUWPPQJJGDX-UHFFFAOYSA-N -1 3 351.439 3.125 20 0 FGADHM Cc1ccc(CCOC(=O)CSc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737337958 599497257 /nfs/dbraw/zinc/49/72/57/599497257.db2.gz UIEVYMJSEZSFKJ-UHFFFAOYSA-N -1 3 354.435 3.053 20 0 FGADHM Cc1ccc(CCOC(=O)CSc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737337958 599497259 /nfs/dbraw/zinc/49/72/59/599497259.db2.gz UIEVYMJSEZSFKJ-UHFFFAOYSA-N -1 3 354.435 3.053 20 0 FGADHM Cc1ccc(C(=O)CCC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822225353 599501220 /nfs/dbraw/zinc/50/12/20/599501220.db2.gz ZRKJVPWAVDTKOI-AWEZNQCLSA-N -1 3 363.421 3.015 20 0 FGADHM Cc1ccc(C(=O)CCC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822225353 599501221 /nfs/dbraw/zinc/50/12/21/599501221.db2.gz ZRKJVPWAVDTKOI-AWEZNQCLSA-N -1 3 363.421 3.015 20 0 FGADHM C[C@H](NC(=O)Cc1ccc2ccccc2c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820333798 599501960 /nfs/dbraw/zinc/50/19/60/599501960.db2.gz GMDMHPIKYDZIIG-AWEZNQCLSA-N -1 3 357.417 3.440 20 0 FGADHM C[C@H](NC(=O)Cc1ccc2ccccc2c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820333798 599501962 /nfs/dbraw/zinc/50/19/62/599501962.db2.gz GMDMHPIKYDZIIG-AWEZNQCLSA-N -1 3 357.417 3.440 20 0 FGADHM Cc1cc2ccccc2n1CC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822212678 599508002 /nfs/dbraw/zinc/50/80/02/599508002.db2.gz BMWNEZGFWIDXMO-AWEZNQCLSA-N -1 3 360.421 3.007 20 0 FGADHM Cc1cc2ccccc2n1CC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822212678 599508004 /nfs/dbraw/zinc/50/80/04/599508004.db2.gz BMWNEZGFWIDXMO-AWEZNQCLSA-N -1 3 360.421 3.007 20 0 FGADHM C[C@@H](NC(=O)CCc1ccccc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000820326850 599511486 /nfs/dbraw/zinc/51/14/86/599511486.db2.gz AVGPQUDLLJYOMH-GFCCVEGCSA-N -1 3 355.829 3.330 20 0 FGADHM C[C@@H](NC(=O)CCc1ccccc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000820326850 599511487 /nfs/dbraw/zinc/51/14/87/599511487.db2.gz AVGPQUDLLJYOMH-GFCCVEGCSA-N -1 3 355.829 3.330 20 0 FGADHM C[C@H](NC(=O)CSc1ccc(Cl)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820334051 599522207 /nfs/dbraw/zinc/52/22/07/599522207.db2.gz JPYJMJQNSGSSFU-NSHDSACASA-N -1 3 373.869 3.490 20 0 FGADHM C[C@H](NC(=O)CSc1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820334051 599522208 /nfs/dbraw/zinc/52/22/08/599522208.db2.gz JPYJMJQNSGSSFU-NSHDSACASA-N -1 3 373.869 3.490 20 0 FGADHM Cc1cccc2[nH]cc(CCNc3c(-c4nnn[n-]4)cnc4ccccc43)c21 ZINC000822331289 599526491 /nfs/dbraw/zinc/52/64/91/599526491.db2.gz BURUNAIRHUTQFE-UHFFFAOYSA-N -1 3 369.432 3.281 20 0 FGADHM Cc1cccc2[nH]cc(CCNc3c(-c4nn[n-]n4)cnc4ccccc43)c21 ZINC000822331289 599526493 /nfs/dbraw/zinc/52/64/93/599526493.db2.gz BURUNAIRHUTQFE-UHFFFAOYSA-N -1 3 369.432 3.281 20 0 FGADHM c1ccc([C@@H]2CN(c3c(-c4nnn[n-]4)cnc4ccccc43)CCCO2)cc1 ZINC000823779768 599529527 /nfs/dbraw/zinc/52/95/27/599529527.db2.gz ITHKSHBEENLNIB-IBGZPJMESA-N -1 3 372.432 3.383 20 0 FGADHM c1ccc([C@@H]2CN(c3c(-c4nn[n-]n4)cnc4ccccc43)CCCO2)cc1 ZINC000823779768 599529529 /nfs/dbraw/zinc/52/95/29/599529529.db2.gz ITHKSHBEENLNIB-IBGZPJMESA-N -1 3 372.432 3.383 20 0 FGADHM Cc1nc(-c2ccco2)ccc1C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822422990 599537932 /nfs/dbraw/zinc/53/79/32/599537932.db2.gz GVSIJJUHODVGFR-LBPRGKRZSA-N -1 3 374.404 3.321 20 0 FGADHM Cc1nc(-c2ccco2)ccc1C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822422990 599537934 /nfs/dbraw/zinc/53/79/34/599537934.db2.gz GVSIJJUHODVGFR-LBPRGKRZSA-N -1 3 374.404 3.321 20 0 FGADHM CCCOc1ccc2c(c1)CCN(c1nc(C)cc(C)c1-c1nnn[n-]1)C2 ZINC000821133883 607383232 /nfs/dbraw/zinc/38/32/32/607383232.db2.gz JEDXAXVWMDBWLZ-UHFFFAOYSA-N -1 3 364.453 3.230 20 0 FGADHM CCCOc1ccc2c(c1)CCN(c1nc(C)cc(C)c1-c1nn[n-]n1)C2 ZINC000821133883 607383234 /nfs/dbraw/zinc/38/32/34/607383234.db2.gz JEDXAXVWMDBWLZ-UHFFFAOYSA-N -1 3 364.453 3.230 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCc1ccccc1OC(F)F ZINC000826252892 607383361 /nfs/dbraw/zinc/38/33/61/607383361.db2.gz XDKHPJQPOHMXLS-UHFFFAOYSA-N -1 3 360.320 3.134 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCc1ccccc1OC(F)F ZINC000826252892 607383363 /nfs/dbraw/zinc/38/33/63/607383363.db2.gz XDKHPJQPOHMXLS-UHFFFAOYSA-N -1 3 360.320 3.134 20 0 FGADHM c1[nH]c2ccccc2c1CCCNc1c(-c2nnn[n-]2)cnc2ccccc21 ZINC000823798142 599546360 /nfs/dbraw/zinc/54/63/60/599546360.db2.gz UMGWCXKSWMDUJU-UHFFFAOYSA-N -1 3 369.432 3.363 20 0 FGADHM c1[nH]c2ccccc2c1CCCNc1c(-c2nn[n-]n2)cnc2ccccc21 ZINC000823798142 599546362 /nfs/dbraw/zinc/54/63/62/599546362.db2.gz UMGWCXKSWMDUJU-UHFFFAOYSA-N -1 3 369.432 3.363 20 0 FGADHM CS[C@@H]1CCC[C@H](Nc2c(-c3nnn[n-]3)cnc3c(C)cc(F)cc32)C1 ZINC000821950729 599562145 /nfs/dbraw/zinc/56/21/45/599562145.db2.gz QBCPXQWAPZIKCE-QWHCGFSZSA-N -1 3 372.473 3.370 20 0 FGADHM CS[C@@H]1CCC[C@H](Nc2c(-c3nn[n-]n3)cnc3c(C)cc(F)cc32)C1 ZINC000821950729 599562148 /nfs/dbraw/zinc/56/21/48/599562148.db2.gz QBCPXQWAPZIKCE-QWHCGFSZSA-N -1 3 372.473 3.370 20 0 FGADHM COc1cccc(OCCCNc2c(Cl)cccc2-c2nnn[n-]2)c1 ZINC000821877283 599564068 /nfs/dbraw/zinc/56/40/68/599564068.db2.gz GJSKQQBTZWLWFN-UHFFFAOYSA-N -1 3 359.817 3.410 20 0 FGADHM COc1cccc(OCCCNc2c(Cl)cccc2-c2nn[n-]n2)c1 ZINC000821877283 599564071 /nfs/dbraw/zinc/56/40/71/599564071.db2.gz GJSKQQBTZWLWFN-UHFFFAOYSA-N -1 3 359.817 3.410 20 0 FGADHM CC[C@H](NC(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1F ZINC000736363699 599599755 /nfs/dbraw/zinc/59/97/55/599599755.db2.gz OSQGMEHIQRMHRG-HNNXBMFYSA-N -1 3 358.352 3.418 20 0 FGADHM CC[C@H](NC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1F ZINC000736363699 599599757 /nfs/dbraw/zinc/59/97/57/599599757.db2.gz OSQGMEHIQRMHRG-HNNXBMFYSA-N -1 3 358.352 3.418 20 0 FGADHM Cc1ccc([C@@H](C)CNC(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737321282 599601316 /nfs/dbraw/zinc/60/13/16/599601316.db2.gz SJHXLSSNAHJELG-GJZGRUSLSA-N -1 3 364.453 3.339 20 0 FGADHM Cc1ccc([C@@H](C)CNC(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737321282 599601318 /nfs/dbraw/zinc/60/13/18/599601318.db2.gz SJHXLSSNAHJELG-GJZGRUSLSA-N -1 3 364.453 3.339 20 0 FGADHM Cc1ccc(C[C@@H](C)NC(=O)Nc2cc(-c3nnn[n-]3)ccc2C)s1 ZINC000737335801 599610764 /nfs/dbraw/zinc/61/07/64/599610764.db2.gz XCJMEHSPWHGCPH-LLVKDONJSA-N -1 3 356.455 3.298 20 0 FGADHM Cc1ccc(C[C@@H](C)NC(=O)Nc2cc(-c3nn[n-]n3)ccc2C)s1 ZINC000737335801 599610766 /nfs/dbraw/zinc/61/07/66/599610766.db2.gz XCJMEHSPWHGCPH-LLVKDONJSA-N -1 3 356.455 3.298 20 0 FGADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1)c1cccc(-c2noc(C3CC3)n2)c1 ZINC000823450296 599621143 /nfs/dbraw/zinc/62/11/43/599621143.db2.gz NIQQVQGTQGEYRD-UHFFFAOYSA-N -1 3 374.360 3.013 20 0 FGADHM COc1ccc(OC(=O)Cc2ccc(-c3nnn[n-]3)cc2)c2ccccc12 ZINC000821838355 599627344 /nfs/dbraw/zinc/62/73/44/599627344.db2.gz LZGUTIDLFGYINW-UHFFFAOYSA-N -1 3 360.373 3.177 20 0 FGADHM COc1ccc(OC(=O)Cc2ccc(-c3nn[n-]n3)cc2)c2ccccc12 ZINC000821838355 599627345 /nfs/dbraw/zinc/62/73/45/599627345.db2.gz LZGUTIDLFGYINW-UHFFFAOYSA-N -1 3 360.373 3.177 20 0 FGADHM Cc1cncc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CC[C@@H](C)C3)c1 ZINC000822399212 599628797 /nfs/dbraw/zinc/62/87/97/599628797.db2.gz CKBHEKMWHCCUEN-SECBINFHSA-N -1 3 354.439 3.009 20 0 FGADHM Cc1cncc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CC[C@@H](C)C3)c1 ZINC000822399212 599628798 /nfs/dbraw/zinc/62/87/98/599628798.db2.gz CKBHEKMWHCCUEN-SECBINFHSA-N -1 3 354.439 3.009 20 0 FGADHM Cc1c2c(sc1NC(=O)Cc1ccc(-c3nnn[n-]3)cc1)CCCC2 ZINC000822077837 599651332 /nfs/dbraw/zinc/65/13/32/599651332.db2.gz ZDMIBQZNZWTXSX-UHFFFAOYSA-N -1 3 353.451 3.297 20 0 FGADHM Cc1c2c(sc1NC(=O)Cc1ccc(-c3nn[n-]n3)cc1)CCCC2 ZINC000822077837 599651333 /nfs/dbraw/zinc/65/13/33/599651333.db2.gz ZDMIBQZNZWTXSX-UHFFFAOYSA-N -1 3 353.451 3.297 20 0 FGADHM CC[C@@H]1C[C@H](C)CN1C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000820967656 599656152 /nfs/dbraw/zinc/65/61/52/599656152.db2.gz SCEMVFTZJLSSFP-GOEBONIOSA-N -1 3 357.458 3.063 20 0 FGADHM CC[C@@H]1C[C@H](C)CN1C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000820967656 599656153 /nfs/dbraw/zinc/65/61/53/599656153.db2.gz SCEMVFTZJLSSFP-GOEBONIOSA-N -1 3 357.458 3.063 20 0 FGADHM CC(C)CCOc1ccc(NC(=O)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000820076702 599656711 /nfs/dbraw/zinc/65/67/11/599656711.db2.gz RQTJHLDTBPYGBQ-UHFFFAOYSA-N -1 3 365.437 3.473 20 0 FGADHM CC(C)CCOc1ccc(NC(=O)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000820076702 599656712 /nfs/dbraw/zinc/65/67/12/599656712.db2.gz RQTJHLDTBPYGBQ-UHFFFAOYSA-N -1 3 365.437 3.473 20 0 FGADHM CC(C)[C@H](C(=O)OCc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000820016762 599668757 /nfs/dbraw/zinc/66/87/57/599668757.db2.gz PHDOYMNLCBVOIB-KRWDZBQOSA-N -1 3 354.385 3.489 20 0 FGADHM CC(C)[C@H](C(=O)OCc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000820016762 599668758 /nfs/dbraw/zinc/66/87/58/599668758.db2.gz PHDOYMNLCBVOIB-KRWDZBQOSA-N -1 3 354.385 3.489 20 0 FGADHM C[C@H](CCOc1ccccc1)C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000820249757 599689572 /nfs/dbraw/zinc/68/95/72/599689572.db2.gz ZIYWYLINPVROTG-CYBMUJFWSA-N -1 3 369.400 3.074 20 0 FGADHM C[C@H](CCOc1ccccc1)C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000820249757 599689573 /nfs/dbraw/zinc/68/95/73/599689573.db2.gz ZIYWYLINPVROTG-CYBMUJFWSA-N -1 3 369.400 3.074 20 0 FGADHM Cc1c(F)cccc1NCC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000822035005 599691793 /nfs/dbraw/zinc/69/17/93/599691793.db2.gz ODYYUFPFQXKVTN-UHFFFAOYSA-N -1 3 360.780 3.018 20 0 FGADHM Cc1c(F)cccc1NCC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000822035005 599691794 /nfs/dbraw/zinc/69/17/94/599691794.db2.gz ODYYUFPFQXKVTN-UHFFFAOYSA-N -1 3 360.780 3.018 20 0 FGADHM C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)N(C)CCc1cccc2ccccc21 ZINC000736198911 599716176 /nfs/dbraw/zinc/71/61/76/599716176.db2.gz DSROXSAETOFICS-INIZCTEOSA-N -1 3 368.477 3.026 20 0 FGADHM O=C([O-])c1cccc(C(=O)N[C@H](CN2CCCCC2)c2ccccc2)c1 ZINC000647116965 599741740 /nfs/dbraw/zinc/74/17/40/599741740.db2.gz ZJWZVZFGIKGMDD-LJQANCHMSA-N -1 3 352.434 3.342 20 0 FGADHM CC(C)c1ccc(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)cn1 ZINC000820187518 607392056 /nfs/dbraw/zinc/39/20/56/607392056.db2.gz FKFKJGFMLQYEMN-UHFFFAOYSA-N -1 3 364.453 3.436 20 0 FGADHM CC(C)c1ccc(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)cn1 ZINC000820187518 607392058 /nfs/dbraw/zinc/39/20/58/607392058.db2.gz FKFKJGFMLQYEMN-UHFFFAOYSA-N -1 3 364.453 3.436 20 0 FGADHM CN(C)C[C@H](NC(=O)Nc1ccc(CCC(=O)[O-])cc1)c1ccccc1 ZINC000737359762 599828690 /nfs/dbraw/zinc/82/86/90/599828690.db2.gz GZPNFLXWVMPTKZ-SFHVURJKSA-N -1 3 355.438 3.128 20 0 FGADHM CC(C)Oc1ccc(NC(=O)c2ccc3[nH]ccc3c2)cc1-c1nnn[n-]1 ZINC000820168870 607399072 /nfs/dbraw/zinc/39/90/72/607399072.db2.gz DHPWUFBGDUVODU-UHFFFAOYSA-N -1 3 362.393 3.388 20 0 FGADHM CC(C)Oc1ccc(NC(=O)c2ccc3[nH]ccc3c2)cc1-c1nn[n-]n1 ZINC000820168870 607399073 /nfs/dbraw/zinc/39/90/73/607399073.db2.gz DHPWUFBGDUVODU-UHFFFAOYSA-N -1 3 362.393 3.388 20 0 FGADHM CC(C)Oc1ccc(NC(=O)c2cc3ccsc3[nH]2)cc1-c1nnn[n-]1 ZINC000820168801 607399088 /nfs/dbraw/zinc/39/90/88/607399088.db2.gz AWPSGKCHRBDOSG-UHFFFAOYSA-N -1 3 368.422 3.449 20 0 FGADHM CC(C)Oc1ccc(NC(=O)c2cc3ccsc3[nH]2)cc1-c1nn[n-]n1 ZINC000820168801 607399090 /nfs/dbraw/zinc/39/90/90/607399090.db2.gz AWPSGKCHRBDOSG-UHFFFAOYSA-N -1 3 368.422 3.449 20 0 FGADHM CC(C)Oc1ccc(NC(=O)CSc2ccccc2)cc1-c1nnn[n-]1 ZINC000820164178 607400306 /nfs/dbraw/zinc/40/03/06/607400306.db2.gz GGFAZTSOCHGAIL-UHFFFAOYSA-N -1 3 369.450 3.385 20 0 FGADHM CC(C)Oc1ccc(NC(=O)CSc2ccccc2)cc1-c1nn[n-]n1 ZINC000820164178 607400307 /nfs/dbraw/zinc/40/03/07/607400307.db2.gz GGFAZTSOCHGAIL-UHFFFAOYSA-N -1 3 369.450 3.385 20 0 FGADHM CC(C)Oc1ccc(NC(=O)c2ccc3cc[nH]c3c2)cc1-c1nnn[n-]1 ZINC000820174714 607402550 /nfs/dbraw/zinc/40/25/50/607402550.db2.gz WRMWBQDAZGPCCD-UHFFFAOYSA-N -1 3 362.393 3.388 20 0 FGADHM CC(C)Oc1ccc(NC(=O)c2ccc3cc[nH]c3c2)cc1-c1nn[n-]n1 ZINC000820174714 607402551 /nfs/dbraw/zinc/40/25/51/607402551.db2.gz WRMWBQDAZGPCCD-UHFFFAOYSA-N -1 3 362.393 3.388 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000826253627 607403400 /nfs/dbraw/zinc/40/34/00/607403400.db2.gz XMGSTTSONWNVFT-HUUCEWRRSA-N -1 3 370.359 3.300 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000826253627 607403402 /nfs/dbraw/zinc/40/34/02/607403402.db2.gz XMGSTTSONWNVFT-HUUCEWRRSA-N -1 3 370.359 3.300 20 0 FGADHM CC(=O)c1cccc(C(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)c1 ZINC000819845956 607406298 /nfs/dbraw/zinc/40/62/98/607406298.db2.gz ZZPUIYSEQVUASV-UHFFFAOYSA-N -1 3 365.393 3.109 20 0 FGADHM CC(=O)c1cccc(C(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)c1 ZINC000819845956 607406300 /nfs/dbraw/zinc/40/63/00/607406300.db2.gz ZZPUIYSEQVUASV-UHFFFAOYSA-N -1 3 365.393 3.109 20 0 FGADHM C[C@H](CN(CC(=O)N[C@H](c1cccs1)c1ccccc1)C1CC1)C(=O)[O-] ZINC000736577963 599950868 /nfs/dbraw/zinc/95/08/68/599950868.db2.gz IENRTHKIXKTMBH-KUHUBIRLSA-N -1 3 372.490 3.139 20 0 FGADHM Cc1ccccc1SCC(=O)OCc1ccc(-c2nnn[n-]2)cc1C ZINC000826253839 607411226 /nfs/dbraw/zinc/41/12/26/607411226.db2.gz GWUYBALDGNDKIX-UHFFFAOYSA-N -1 3 354.435 3.319 20 0 FGADHM Cc1ccccc1SCC(=O)OCc1ccc(-c2nn[n-]n2)cc1C ZINC000826253839 607411227 /nfs/dbraw/zinc/41/12/27/607411227.db2.gz GWUYBALDGNDKIX-UHFFFAOYSA-N -1 3 354.435 3.319 20 0 FGADHM CCCc1ccc([C@H](NCC(=O)N2CCC(C(=O)[O-])CC2)C(C)C)cc1 ZINC000737045130 600058101 /nfs/dbraw/zinc/05/81/01/600058101.db2.gz NZXACZXHBSMAIN-HXUWFJFHSA-N -1 3 360.498 3.249 20 0 FGADHM O=C(CCc1ccc(Cl)s1)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826408777 607417997 /nfs/dbraw/zinc/41/79/97/607417997.db2.gz UUPQSLAWRRIWOK-UHFFFAOYSA-N -1 3 373.869 3.320 20 0 FGADHM O=C(CCc1ccc(Cl)s1)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826408777 607417999 /nfs/dbraw/zinc/41/79/99/607417999.db2.gz UUPQSLAWRRIWOK-UHFFFAOYSA-N -1 3 373.869 3.320 20 0 FGADHM CCN1C[C@@H](CN(C)Cc2ccc(F)cc2C(=O)[O-])Oc2ccccc21 ZINC000737112178 600082501 /nfs/dbraw/zinc/08/25/01/600082501.db2.gz IGKRERBHFZAQHF-MRXNPFEDSA-N -1 3 358.413 3.243 20 0 FGADHM CCN(Cc1ccc(C(=O)N(C)C)cc1)Cc1ccc(F)cc1C(=O)[O-] ZINC000737101991 600102608 /nfs/dbraw/zinc/10/26/08/600102608.db2.gz OTYVDSSPINVHBK-UHFFFAOYSA-N -1 3 358.413 3.248 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)c1cc(F)cc(Cl)c1 ZINC000821745176 607420105 /nfs/dbraw/zinc/42/01/05/607420105.db2.gz IJYFSNNGHLVPEX-UHFFFAOYSA-N -1 3 362.748 3.025 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)c1cc(F)cc(Cl)c1 ZINC000821745176 607420106 /nfs/dbraw/zinc/42/01/06/607420106.db2.gz IJYFSNNGHLVPEX-UHFFFAOYSA-N -1 3 362.748 3.025 20 0 FGADHM C[C@@H](CC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1cccc(F)c1 ZINC000824385613 607420622 /nfs/dbraw/zinc/42/06/22/607420622.db2.gz XRUGGSZRSJESEK-ZDUSSCGKSA-N -1 3 365.412 3.305 20 0 FGADHM C[C@@H](CC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1cccc(F)c1 ZINC000824385613 607420624 /nfs/dbraw/zinc/42/06/24/607420624.db2.gz XRUGGSZRSJESEK-ZDUSSCGKSA-N -1 3 365.412 3.305 20 0 FGADHM CCCOc1cccc(C(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)c1 ZINC000825341741 607425345 /nfs/dbraw/zinc/42/53/45/607425345.db2.gz JNCKBAVUBXCIEJ-UHFFFAOYSA-N -1 3 363.421 3.075 20 0 FGADHM CCCOc1cccc(C(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)c1 ZINC000825341741 607425347 /nfs/dbraw/zinc/42/53/47/607425347.db2.gz JNCKBAVUBXCIEJ-UHFFFAOYSA-N -1 3 363.421 3.075 20 0 FGADHM CC(C)Oc1ccc(NC(=O)N2C[C@@H]3CCCC[C@@H]3C2)cc1-c1nnn[n-]1 ZINC000820164089 607427367 /nfs/dbraw/zinc/42/73/67/607427367.db2.gz CLEIKHTVTVSJFV-OKILXGFUSA-N -1 3 370.457 3.308 20 0 FGADHM CC(C)Oc1ccc(NC(=O)N2C[C@@H]3CCCC[C@@H]3C2)cc1-c1nn[n-]n1 ZINC000820164089 607427368 /nfs/dbraw/zinc/42/73/68/607427368.db2.gz CLEIKHTVTVSJFV-OKILXGFUSA-N -1 3 370.457 3.308 20 0 FGADHM Cc1ccccc1CNC(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000822362425 607428304 /nfs/dbraw/zinc/42/83/04/607428304.db2.gz SKKFMLSQVPZFKY-UHFFFAOYSA-N -1 3 366.425 3.284 20 0 FGADHM Cc1ccccc1CNC(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000822362425 607428306 /nfs/dbraw/zinc/42/83/06/607428306.db2.gz SKKFMLSQVPZFKY-UHFFFAOYSA-N -1 3 366.425 3.284 20 0 FGADHM CC[C@H]1C[C@@H](C)CN1C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000820966383 607428343 /nfs/dbraw/zinc/42/83/43/607428343.db2.gz DNCBHMZFLSTVLG-OCCSQVGLSA-N -1 3 358.446 3.306 20 0 FGADHM CC[C@H]1C[C@@H](C)CN1C(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000820966383 607428345 /nfs/dbraw/zinc/42/83/45/607428345.db2.gz DNCBHMZFLSTVLG-OCCSQVGLSA-N -1 3 358.446 3.306 20 0 FGADHM Cc1ccc(CNC(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)cc1 ZINC000822237277 607430409 /nfs/dbraw/zinc/43/04/09/607430409.db2.gz NGOYPALAHNVAAO-UHFFFAOYSA-N -1 3 366.425 3.284 20 0 FGADHM Cc1ccc(CNC(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)cc1 ZINC000822237277 607430411 /nfs/dbraw/zinc/43/04/11/607430411.db2.gz NGOYPALAHNVAAO-UHFFFAOYSA-N -1 3 366.425 3.284 20 0 FGADHM CCn1cc(CC(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)c2ccccc21 ZINC000825799900 607433117 /nfs/dbraw/zinc/43/31/17/607433117.db2.gz WAYFUABAVUAKFE-UHFFFAOYSA-N -1 3 360.421 3.047 20 0 FGADHM CCn1cc(CC(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)c2ccccc21 ZINC000825799900 607433118 /nfs/dbraw/zinc/43/31/18/607433118.db2.gz WAYFUABAVUAKFE-UHFFFAOYSA-N -1 3 360.421 3.047 20 0 FGADHM CCCc1c(C(=O)NC[C@@H](C)N(C)Cc2ccccc2)[nH]c(C)c1C(=O)[O-] ZINC000737039419 600270745 /nfs/dbraw/zinc/27/07/45/600270745.db2.gz CFMYNZMNHXQHDU-CQSZACIVSA-N -1 3 371.481 3.224 20 0 FGADHM CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCC(=O)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000824910737 607436073 /nfs/dbraw/zinc/43/60/73/607436073.db2.gz YMBLSVIXROFEOL-JLSDUUJJSA-N -1 3 371.485 3.307 20 0 FGADHM CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000824910737 607436074 /nfs/dbraw/zinc/43/60/74/607436074.db2.gz YMBLSVIXROFEOL-JLSDUUJJSA-N -1 3 371.485 3.307 20 0 FGADHM O=C([O-])CCN(Cc1ccc(F)c(F)c1)C[C@H](O)c1cccc(F)c1 ZINC000739719981 600327602 /nfs/dbraw/zinc/32/76/02/600327602.db2.gz DINGAWUPBAHMPB-KRWDZBQOSA-N -1 3 353.340 3.114 20 0 FGADHM Cc1ccc([C@@H](CNC(=O)Nc2ccc(CNC(=O)[O-])cc2)N(C)C)cc1 ZINC000738562483 600351607 /nfs/dbraw/zinc/35/16/07/600351607.db2.gz WDLKFUHOXSWRDY-GOSISDBHSA-N -1 3 370.453 3.187 20 0 FGADHM CCc1ccc([C@H](NC(=O)CN(C)C[C@H](C)C(=O)[O-])c2cccs2)cc1 ZINC000737259547 600367692 /nfs/dbraw/zinc/36/76/92/600367692.db2.gz RWYIOAWOHUKHCV-LIRRHRJNSA-N -1 3 374.506 3.169 20 0 FGADHM Cc1ccc([C@H](CNC(=O)Nc2ccc(F)c(C(=O)[O-])c2)N(C)C)cc1 ZINC000738561091 600391074 /nfs/dbraw/zinc/39/10/74/600391074.db2.gz PSYMXPSSHLUTSD-KRWDZBQOSA-N -1 3 359.401 3.257 20 0 FGADHM COCc1c2ccccc2oc1C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826164253 607440839 /nfs/dbraw/zinc/44/08/39/607440839.db2.gz LSCNRDYFDOIMMC-UHFFFAOYSA-N -1 3 363.377 3.036 20 0 FGADHM COCc1c2ccccc2oc1C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826164253 607440841 /nfs/dbraw/zinc/44/08/41/607440841.db2.gz LSCNRDYFDOIMMC-UHFFFAOYSA-N -1 3 363.377 3.036 20 0 FGADHM Cc1cc(CN[C@@](C)(CNC(=O)OC(C)(C)C)C(C)C)oc1C(=O)[O-] ZINC000738389656 600396848 /nfs/dbraw/zinc/39/68/48/600396848.db2.gz TWBVFRGRJBXHRD-SFHVURJKSA-N -1 3 354.447 3.315 20 0 FGADHM O=C([O-])c1ccc(NC(=O)NC[C@H](c2ccccc2)N2CCCC2)c(F)c1 ZINC000739402464 600399736 /nfs/dbraw/zinc/39/97/36/600399736.db2.gz CAGSQEISTKKPGB-GOSISDBHSA-N -1 3 371.412 3.483 20 0 FGADHM C[C@H](C(=O)N(CC(=O)[O-])Cc1ccc(Cl)cc1)N1CCCCCC1 ZINC000736199637 600406074 /nfs/dbraw/zinc/40/60/74/600406074.db2.gz KRTMIVNTOFUUFT-CQSZACIVSA-N -1 3 352.862 3.018 20 0 FGADHM C[C@H](CSCc1ccccc1)C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000824449712 607441591 /nfs/dbraw/zinc/44/15/91/607441591.db2.gz OWOSJNIPYZMYSR-CQSZACIVSA-N -1 3 367.478 3.399 20 0 FGADHM C[C@H](CSCc1ccccc1)C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000824449712 607441592 /nfs/dbraw/zinc/44/15/92/607441592.db2.gz OWOSJNIPYZMYSR-CQSZACIVSA-N -1 3 367.478 3.399 20 0 FGADHM O=C([O-])[C@H](NCc1ccccc1CN1CCCC1=O)c1cccc(Cl)c1 ZINC000739503944 600421566 /nfs/dbraw/zinc/42/15/66/600421566.db2.gz DXPDBXGHEOJIDE-LJQANCHMSA-N -1 3 372.852 3.378 20 0 FGADHM CCc1ccc(NC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)cc1F ZINC000825713007 607772316 /nfs/dbraw/zinc/77/23/16/607772316.db2.gz ZNTGDCIACFYAOM-UHFFFAOYSA-N -1 3 371.441 3.440 20 0 FGADHM CCc1ccc(NC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000825713007 607772317 /nfs/dbraw/zinc/77/23/17/607772317.db2.gz ZNTGDCIACFYAOM-UHFFFAOYSA-N -1 3 371.441 3.440 20 0 FGADHM Cc1cc(NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)ccc1O ZINC000822206989 607446345 /nfs/dbraw/zinc/44/63/45/607446345.db2.gz HGCFDOYFDQPVCJ-UHFFFAOYSA-N -1 3 367.409 3.069 20 0 FGADHM Cc1cc(NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)ccc1O ZINC000822206989 607446347 /nfs/dbraw/zinc/44/63/47/607446347.db2.gz HGCFDOYFDQPVCJ-UHFFFAOYSA-N -1 3 367.409 3.069 20 0 FGADHM O=C([O-])CCN(Cc1cc(Cl)ccc1OC(F)F)C[C@H]1CCCO1 ZINC000652480129 600509170 /nfs/dbraw/zinc/50/91/70/600509170.db2.gz JRCGPGQAMCCIEQ-CYBMUJFWSA-N -1 3 363.788 3.397 20 0 FGADHM C[C@@H](CCC(C)(C)C)NC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000824402493 607456929 /nfs/dbraw/zinc/45/69/29/607456929.db2.gz WXOXPZAVZFVMBO-ZDUSSCGKSA-N -1 3 356.474 3.370 20 0 FGADHM C[C@@H](CCC(C)(C)C)NC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000824402493 607456931 /nfs/dbraw/zinc/45/69/31/607456931.db2.gz WXOXPZAVZFVMBO-ZDUSSCGKSA-N -1 3 356.474 3.370 20 0 FGADHM Cc1cccc([C@@H](C)N[C@@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)c1C ZINC000738691300 600639754 /nfs/dbraw/zinc/63/97/54/600639754.db2.gz ONPHAZQIQGOIHD-CVEARBPZSA-N -1 3 354.450 3.357 20 0 FGADHM CCO[C@@H]1C[C@H](N(C)Cn2ncc3cc(C(=O)[O-])ccc32)C12CCCC2 ZINC000737164884 600706176 /nfs/dbraw/zinc/70/61/76/600706176.db2.gz KNRRZUSODZPXMO-ZWKOTPCHSA-N -1 3 357.454 3.362 20 0 FGADHM CCCN(CC(=O)Nc1cc(C(=O)[O-])ccc1C)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000737007351 600717099 /nfs/dbraw/zinc/71/70/99/600717099.db2.gz FAJNNAHLHIBECL-KFKAGJAMSA-N -1 3 374.481 3.157 20 0 FGADHM CN(C)Cc1cccc(C(=O)N[C@@H](CC(=O)[O-])c2cccc(Cl)c2)c1 ZINC000830619342 600814545 /nfs/dbraw/zinc/81/45/45/600814545.db2.gz CNSVZKKXYLOMCQ-KRWDZBQOSA-N -1 3 360.841 3.347 20 0 FGADHM FC(F)(F)c1ccccc1CN(Cc1ccnc(-c2nnn[n-]2)c1)C1CC1 ZINC000826368891 607487349 /nfs/dbraw/zinc/48/73/49/607487349.db2.gz FGFBOQVPYVEZRF-UHFFFAOYSA-N -1 3 374.370 3.445 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1CN1c2cccc3cccc(c23)C1=O ZINC000821732364 607490632 /nfs/dbraw/zinc/49/06/32/607490632.db2.gz NIKDYHUWCDBGRH-UHFFFAOYSA-N -1 3 357.373 3.189 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1CN1c2cccc3cccc(c23)C1=O ZINC000821732364 607490633 /nfs/dbraw/zinc/49/06/33/607490633.db2.gz NIKDYHUWCDBGRH-UHFFFAOYSA-N -1 3 357.373 3.189 20 0 FGADHM C[C@H](C(=O)[O-])[C@H](NCC(=O)NC1(c2ccccc2)CCC1)c1ccccc1 ZINC000826044320 601201337 /nfs/dbraw/zinc/20/13/37/601201337.db2.gz FGLLNBUUPJJEKP-JXFKEZNVSA-N -1 3 366.461 3.234 20 0 FGADHM CCN(CC)[C@H](CNC(=O)NCC1(C(=O)[O-])CCCC1)c1ccsc1 ZINC000829666797 601411710 /nfs/dbraw/zinc/41/17/10/601411710.db2.gz SKVJQUPEHGKTKX-OAHLLOKOSA-N -1 3 367.515 3.075 20 0 FGADHM CCCCCNC(=O)C1CCN(Cc2cc(C(=O)[O-])oc2CC)CC1 ZINC000829363657 601413065 /nfs/dbraw/zinc/41/30/65/601413065.db2.gz KGPHJVCOAZCEIL-UHFFFAOYSA-N -1 3 350.459 3.059 20 0 FGADHM CCc1oc(C(=O)[O-])cc1CNC1(c2ccc(OC)cc2)CCOCC1 ZINC000830376601 601418443 /nfs/dbraw/zinc/41/84/43/601418443.db2.gz ZHSFXAPHQWGXTJ-UHFFFAOYSA-N -1 3 359.422 3.344 20 0 FGADHM O=C([O-])c1sccc1CN1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000833137970 601484155 /nfs/dbraw/zinc/48/41/55/601484155.db2.gz DPNYREUYIYYSIZ-AWEZNQCLSA-N -1 3 358.463 3.088 20 0 FGADHM CCOc1ccccc1NC(=O)[C@@H](NCC(C)(C)C(=O)[O-])c1ccccc1 ZINC000830109450 601647294 /nfs/dbraw/zinc/64/72/94/601647294.db2.gz AYZBXGMURCIBIK-SFHVURJKSA-N -1 3 370.449 3.466 20 0 FGADHM C[C@H](C(=O)[O-])[C@H](NCC(=O)N[C@@H]1CCCc2ccccc21)c1ccccc1 ZINC000826045352 601650129 /nfs/dbraw/zinc/65/01/29/601650129.db2.gz SFQJVABPDURQKD-DLVCFXQMSA-N -1 3 366.461 3.232 20 0 FGADHM Cc1ccc(CN(C(=O)CN[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])C2CC2)o1 ZINC000832930179 601654101 /nfs/dbraw/zinc/65/41/01/601654101.db2.gz JNPQQKRYYOYGRX-MGPUTAFESA-N -1 3 370.449 3.131 20 0 FGADHM C[C@H](C(=O)[O-])[C@H](NCC(=O)N1c2ccccc2C[C@H]1C)c1ccccc1 ZINC000826045019 601656391 /nfs/dbraw/zinc/65/63/91/601656391.db2.gz OPWVOMDCWNPNAZ-SIFCLUCFSA-N -1 3 352.434 3.016 20 0 FGADHM C[C@H](c1ccccc1)N(C)C(=O)CN[C@@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000826044509 601657173 /nfs/dbraw/zinc/65/71/73/601657173.db2.gz HQPRZIBNCIZKKE-RZQQEMMASA-N -1 3 354.450 3.258 20 0 FGADHM c1c2ccccc2[nH]c1[C@H]1CCCCN1Cc1ccnc(-c2nnn[n-]2)c1 ZINC000826522474 607520594 /nfs/dbraw/zinc/52/05/94/607520594.db2.gz CAPXUCFDUUFLNE-LJQANCHMSA-N -1 3 359.437 3.470 20 0 FGADHM Cc1cc(C(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)c(C)s1 ZINC000832863416 601729030 /nfs/dbraw/zinc/72/90/30/601729030.db2.gz QAQRQZGJEIEURH-HXUWFJFHSA-N -1 3 372.490 3.214 20 0 FGADHM O=C([O-])c1cccc(CNC(=O)NC[C@H](c2cccs2)N2CCCC2)c1 ZINC000666512997 601848529 /nfs/dbraw/zinc/84/85/29/601848529.db2.gz ASLWJBSHPOSXSO-MRXNPFEDSA-N -1 3 373.478 3.083 20 0 FGADHM COC(=O)c1cccc(-c2nc(CN[C@@H](C(=O)[O-])C(C)(C)C)cs2)c1 ZINC000831449557 601870957 /nfs/dbraw/zinc/87/09/57/601870957.db2.gz UWHJWOJCDDXJGQ-AWEZNQCLSA-N -1 3 362.451 3.186 20 0 FGADHM C[C@]1(C(=O)[O-])CCN(Cc2ncc(-c3ccccc3Br)o2)C1 ZINC000652486478 601925306 /nfs/dbraw/zinc/92/53/06/601925306.db2.gz HITZYQFWKBWSJL-INIZCTEOSA-N -1 3 365.227 3.401 20 0 FGADHM C[C@]1(C(=O)[O-])CCN(Cc2ncc(-c3ccc(Br)cc3)o2)C1 ZINC000263190118 601938610 /nfs/dbraw/zinc/93/86/10/601938610.db2.gz SQUXLFQINOFVKY-INIZCTEOSA-N -1 3 365.227 3.401 20 0 FGADHM Cc1ccc(NC(=O)[C@@H]2CCCN(Cc3ccc(C(=O)[O-])s3)C2)nc1 ZINC000832940688 601958250 /nfs/dbraw/zinc/95/82/50/601958250.db2.gz CFAFUOHMPPUVGZ-CYBMUJFWSA-N -1 3 359.451 3.000 20 0 FGADHM Fc1ccc([C@H](NCc2ccnc(-c3nnn[n-]3)c2)c2cccs2)cc1 ZINC000826373796 607548014 /nfs/dbraw/zinc/54/80/14/607548014.db2.gz ZYYFRNKKWKTFTR-KRWDZBQOSA-N -1 3 366.425 3.342 20 0 FGADHM Fc1ccc(CNc2ccc3c(cnn3C(F)F)c2)cc1-c1nnn[n-]1 ZINC000826375102 607553635 /nfs/dbraw/zinc/55/36/35/607553635.db2.gz ZSVPNXQQGUSUFW-UHFFFAOYSA-N -1 3 359.315 3.363 20 0 FGADHM Fc1ccc(CNc2ccc3c(cnn3C(F)F)c2)cc1-c1nn[n-]n1 ZINC000826375102 607553636 /nfs/dbraw/zinc/55/36/36/607553636.db2.gz ZSVPNXQQGUSUFW-UHFFFAOYSA-N -1 3 359.315 3.363 20 0 FGADHM C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(Cc2ccoc2C(=O)[O-])C1 ZINC000827688279 602244907 /nfs/dbraw/zinc/24/49/07/602244907.db2.gz SYTIBGOIAVZQOS-STQMWFEESA-N -1 3 352.431 3.103 20 0 FGADHM Fc1cnc(Nc2ccc(Oc3ccccc3-c3nnn[n-]3)c(F)c2)nc1 ZINC000826378549 607557433 /nfs/dbraw/zinc/55/74/33/607557433.db2.gz PCUZTXCIQUCIJI-UHFFFAOYSA-N -1 3 367.319 3.471 20 0 FGADHM Fc1cnc(Nc2ccc(Oc3ccccc3-c3nn[n-]n3)c(F)c2)nc1 ZINC000826378549 607557435 /nfs/dbraw/zinc/55/74/35/607557435.db2.gz PCUZTXCIQUCIJI-UHFFFAOYSA-N -1 3 367.319 3.471 20 0 FGADHM CC[C@@H](C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12)N(CC)CC ZINC000828586824 602300082 /nfs/dbraw/zinc/30/00/82/602300082.db2.gz KGQSTXNSZDBEDF-KRWDZBQOSA-N -1 3 358.438 3.362 20 0 FGADHM COc1ccc(C(=O)Nc2cccc(CNC(C)(C)CNC(=O)[O-])c2)cc1 ZINC000739881732 602318397 /nfs/dbraw/zinc/31/83/97/602318397.db2.gz MJMVDMLTEDSMHK-UHFFFAOYSA-N -1 3 371.437 3.083 20 0 FGADHM CCC(CC)[C@H](CCNC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1)OC ZINC000825096972 607563160 /nfs/dbraw/zinc/56/31/60/607563160.db2.gz RNAASMAYCYTKGE-DYVFJYSZSA-N -1 3 374.489 3.068 20 0 FGADHM CCC(CC)[C@H](CCNC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1)OC ZINC000825096972 607563162 /nfs/dbraw/zinc/56/31/62/607563162.db2.gz RNAASMAYCYTKGE-DYVFJYSZSA-N -1 3 374.489 3.068 20 0 FGADHM CN(C)Cc1cccc(NC(=O)CC[C@H](NC(=O)[O-])c2ccccc2)c1 ZINC000739614362 602458078 /nfs/dbraw/zinc/45/80/78/602458078.db2.gz GNQAJNMJGZGFQD-SFHVURJKSA-N -1 3 355.438 3.476 20 0 FGADHM O=C([O-])Nc1cc(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)ccc1F ZINC000740696099 602483634 /nfs/dbraw/zinc/48/36/34/602483634.db2.gz NRCBSYIQKPIQFE-SFHVURJKSA-N -1 3 371.412 3.483 20 0 FGADHM Cc1nn(Cc2ccc(Cl)cc2)c(C)c1CN[C@@H]1CCN(C(=O)[O-])C1 ZINC000740253406 602810727 /nfs/dbraw/zinc/81/07/27/602810727.db2.gz PYPQQDYAOXKZED-MRXNPFEDSA-N -1 3 362.861 3.044 20 0 FGADHM CC[C@H](CC1CCCC1)C(=O)NCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000825113782 607591832 /nfs/dbraw/zinc/59/18/32/607591832.db2.gz GBKSMRCTVPXZCD-OAHLLOKOSA-N -1 3 357.458 3.098 20 0 FGADHM CC[C@H](CC1CCCC1)C(=O)NCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000825113782 607591833 /nfs/dbraw/zinc/59/18/33/607591833.db2.gz GBKSMRCTVPXZCD-OAHLLOKOSA-N -1 3 357.458 3.098 20 0 FGADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)c1cc(-c2ccccc2)ns1 ZINC000826468446 607594689 /nfs/dbraw/zinc/59/46/89/607594689.db2.gz QLLULKSCCXADBR-UHFFFAOYSA-N -1 3 367.365 3.349 20 0 FGADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)c1cc(-c2ccccc2)ns1 ZINC000826468446 607594690 /nfs/dbraw/zinc/59/46/90/607594690.db2.gz QLLULKSCCXADBR-UHFFFAOYSA-N -1 3 367.365 3.349 20 0 FGADHM O=C(OCc1ccccc1-c1nnn[n-]1)c1cc(-c2ccccc2)ns1 ZINC000826466459 607614445 /nfs/dbraw/zinc/61/44/45/607614445.db2.gz DNUZGIPQBGRFDA-UHFFFAOYSA-N -1 3 363.402 3.347 20 0 FGADHM O=C(OCc1ccccc1-c1nn[n-]n1)c1cc(-c2ccccc2)ns1 ZINC000826466459 607614446 /nfs/dbraw/zinc/61/44/46/607614446.db2.gz DNUZGIPQBGRFDA-UHFFFAOYSA-N -1 3 363.402 3.347 20 0 FGADHM CN(C)[C@@H](CNC(=O)Nc1ccccc1CN(C)C(=O)[O-])c1ccccc1 ZINC000739718967 603336505 /nfs/dbraw/zinc/33/65/05/603336505.db2.gz YYUMABIEGSMMOZ-SFHVURJKSA-N -1 3 370.453 3.221 20 0 FGADHM CN(C(=O)[O-])C1CCN(CCc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000737936846 603409640 /nfs/dbraw/zinc/40/96/40/603409640.db2.gz DIZPKWRLDLWAMZ-UHFFFAOYSA-N -1 3 364.833 3.007 20 0 FGADHM CC(C)(C)OC(=O)N1CCCC[C@@H]1CNCc1ccc(NC(=O)[O-])nc1 ZINC000823803745 603543713 /nfs/dbraw/zinc/54/37/13/603543713.db2.gz IERJCPKGKQGYOY-CQSZACIVSA-N -1 3 364.446 3.051 20 0 FGADHM O=C([O-])Nc1ccc(CNC[C@H](O)c2c(Cl)cccc2Cl)cn1 ZINC000832842156 603558675 /nfs/dbraw/zinc/55/86/75/603558675.db2.gz OWXFMOCCYJOCMI-LBPRGKRZSA-N -1 3 356.209 3.302 20 0 FGADHM C[C@@H](NCc1ccc(NC(=O)[O-])nc1)[C@H](O)c1c(F)cccc1Cl ZINC000825501091 603559767 /nfs/dbraw/zinc/55/97/67/603559767.db2.gz BPDVFJJMVHKEGY-PSLIRLAXSA-N -1 3 353.781 3.176 20 0 FGADHM Cc1ccc(F)c(NC(=S)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)c1 ZINC000826289591 607648111 /nfs/dbraw/zinc/64/81/11/607648111.db2.gz GJSQPADCTNECEX-UHFFFAOYSA-N -1 3 368.441 3.290 20 0 FGADHM Cc1ccc(F)c(NC(=S)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)c1 ZINC000826289591 607648113 /nfs/dbraw/zinc/64/81/13/607648113.db2.gz GJSQPADCTNECEX-UHFFFAOYSA-N -1 3 368.441 3.290 20 0 FGADHM CC[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)cc1C)c1ccc(OC)cc1 ZINC000825133222 607654665 /nfs/dbraw/zinc/65/46/65/607654665.db2.gz LDXDOWGGHMDHSR-QGZVFWFLSA-N -1 3 351.410 3.065 20 0 FGADHM CC[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)cc1C)c1ccc(OC)cc1 ZINC000825133222 607654666 /nfs/dbraw/zinc/65/46/66/607654666.db2.gz LDXDOWGGHMDHSR-QGZVFWFLSA-N -1 3 351.410 3.065 20 0 FGADHM O=C([O-])N1CCc2cccc(CN[C@@H]3CCN(c4ncccc4Cl)C3)c21 ZINC000832087619 603870438 /nfs/dbraw/zinc/87/04/38/603870438.db2.gz YMKTXYPVFOSQPN-OAHLLOKOSA-N -1 3 372.856 3.144 20 0 FGADHM Cc1nc2ccccc2nc1SCC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826329158 607659028 /nfs/dbraw/zinc/65/90/28/607659028.db2.gz RZSWDNYBZRTWAT-UHFFFAOYSA-N -1 3 362.418 3.093 20 0 FGADHM Cc1nc2ccccc2nc1SCC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826329158 607659030 /nfs/dbraw/zinc/65/90/30/607659030.db2.gz RZSWDNYBZRTWAT-UHFFFAOYSA-N -1 3 362.418 3.093 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@@H](C)c1cccc(OC(F)F)c1 ZINC000826247188 607663488 /nfs/dbraw/zinc/66/34/88/607663488.db2.gz WBDLOHSSJUWZPD-NSHDSACASA-N -1 3 373.363 3.268 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@@H](C)c1cccc(OC(F)F)c1 ZINC000826247188 607663489 /nfs/dbraw/zinc/66/34/89/607663489.db2.gz WBDLOHSSJUWZPD-NSHDSACASA-N -1 3 373.363 3.268 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCC[C@@H]1c1cccc(F)c1 ZINC000826245004 607666986 /nfs/dbraw/zinc/66/69/86/607666986.db2.gz KVNAGFXMWZGCJQ-QGZVFWFLSA-N -1 3 351.385 3.292 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCC[C@@H]1c1cccc(F)c1 ZINC000826245004 607666988 /nfs/dbraw/zinc/66/69/88/607666988.db2.gz KVNAGFXMWZGCJQ-QGZVFWFLSA-N -1 3 351.385 3.292 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NCc1ccccc1OCC(C)C ZINC000826249380 607668753 /nfs/dbraw/zinc/66/87/53/607668753.db2.gz ZUUFTVQHKNJAPT-UHFFFAOYSA-N -1 3 365.437 3.140 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NCc1ccccc1OCC(C)C ZINC000826249380 607668755 /nfs/dbraw/zinc/66/87/55/607668755.db2.gz ZUUFTVQHKNJAPT-UHFFFAOYSA-N -1 3 365.437 3.140 20 0 FGADHM Cc1ccc(CN(C)C)cc1NC(=O)C[C@H](Cc1ccccc1)NC(=O)[O-] ZINC000830308238 604083923 /nfs/dbraw/zinc/08/39/23/604083923.db2.gz HIEAZEIOPCLFGX-SFHVURJKSA-N -1 3 369.465 3.264 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(Cc1ccc(F)cc1)C(C)C ZINC000826244294 607675653 /nfs/dbraw/zinc/67/56/53/607675653.db2.gz NLNTYCYWPKBTPS-UHFFFAOYSA-N -1 3 353.401 3.365 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(Cc1ccc(F)cc1)C(C)C ZINC000826244294 607675654 /nfs/dbraw/zinc/67/56/54/607675654.db2.gz NLNTYCYWPKBTPS-UHFFFAOYSA-N -1 3 353.401 3.365 20 0 FGADHM C[C@@H](NC(=O)[O-])[C@H]1CCCN(Cc2ccc(SC(=O)N(C)C)cc2)C1 ZINC000825264606 604181993 /nfs/dbraw/zinc/18/19/93/604181993.db2.gz LTKITFLXYNICLO-HIFRSBDPSA-N -1 3 365.499 3.328 20 0 FGADHM Cc1cc(F)ccc1[C@@H](O)CN1CCC(N(CC2CC2)C(=O)[O-])CC1 ZINC000830068222 604233797 /nfs/dbraw/zinc/23/37/97/604233797.db2.gz IKHOJNCTDMYZLO-SFHVURJKSA-N -1 3 350.434 3.022 20 0 FGADHM Cc1cc(NCc2cccc(F)n2)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000826271319 607681506 /nfs/dbraw/zinc/68/15/06/607681506.db2.gz MWBQYACTCHSXTQ-UHFFFAOYSA-N -1 3 374.383 3.122 20 0 FGADHM Cc1cc(NCc2cccc(F)n2)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC000826271319 607681508 /nfs/dbraw/zinc/68/15/08/607681508.db2.gz MWBQYACTCHSXTQ-UHFFFAOYSA-N -1 3 374.383 3.122 20 0 FGADHM CCSc1ccc(CC(=O)Oc2ccc(-c3nnn[n-]3)cc2OC)cc1 ZINC000825674465 607687119 /nfs/dbraw/zinc/68/71/19/607687119.db2.gz LZIMFBLEINPFIV-UHFFFAOYSA-N -1 3 370.434 3.135 20 0 FGADHM CCSc1ccc(CC(=O)Oc2ccc(-c3nn[n-]n3)cc2OC)cc1 ZINC000825674465 607687121 /nfs/dbraw/zinc/68/71/21/607687121.db2.gz LZIMFBLEINPFIV-UHFFFAOYSA-N -1 3 370.434 3.135 20 0 FGADHM O=C([O-])N1CCC[C@H](N[C@H]2CCCOc3c(Br)cccc32)C1 ZINC000833278788 604288296 /nfs/dbraw/zinc/28/82/96/604288296.db2.gz IPCKMKUCQZDEMR-FZMZJTMJSA-N -1 3 369.259 3.395 20 0 FGADHM CN(C(=O)c1ccc(C(=O)[O-])c(F)c1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000830522846 604298045 /nfs/dbraw/zinc/29/80/45/604298045.db2.gz BUVHUVREIPYKMD-QGZVFWFLSA-N -1 3 370.424 3.261 20 0 FGADHM O=C([O-])c1ccc(OCCN2CC[C@@]3(O)CCCC[C@H]3C2)c(Cl)c1 ZINC000833321022 604368971 /nfs/dbraw/zinc/36/89/71/604368971.db2.gz FLDLXNOYHPXHQR-KSSFIOAISA-N -1 3 353.846 3.044 20 0 FGADHM COc1cc(CN2Cc3ccccc3C[C@H]2C(=O)[O-])ccc1OC(C)C ZINC000831996053 604463789 /nfs/dbraw/zinc/46/37/89/604463789.db2.gz PTMISVHENMOPAL-SFHVURJKSA-N -1 3 355.434 3.494 20 0 FGADHM CCCOc1cc(CN2Cc3ccccc3C[C@H]2C(=O)[O-])ccc1OC ZINC000829527582 604466260 /nfs/dbraw/zinc/46/62/60/604466260.db2.gz HCIYLYOQQUVIQE-SFHVURJKSA-N -1 3 355.434 3.496 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NC[C@@H](C)Sc1ccccc1 ZINC000826247790 607697089 /nfs/dbraw/zinc/69/70/89/607697089.db2.gz OFIQGDURDQFJGC-CYBMUJFWSA-N -1 3 353.451 3.086 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NC[C@@H](C)Sc1ccccc1 ZINC000826247790 607697090 /nfs/dbraw/zinc/69/70/90/607697090.db2.gz OFIQGDURDQFJGC-CYBMUJFWSA-N -1 3 353.451 3.086 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000826247249 607707203 /nfs/dbraw/zinc/70/72/03/607707203.db2.gz XYGHOGUALCDCQN-INIZCTEOSA-N -1 3 363.421 3.207 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000826247249 607707205 /nfs/dbraw/zinc/70/72/05/607707205.db2.gz XYGHOGUALCDCQN-INIZCTEOSA-N -1 3 363.421 3.207 20 0 FGADHM COc1ncc(CSc2nc(C)cc(C)c2-c2nnn[n-]2)cc1Cl ZINC000826222027 607708756 /nfs/dbraw/zinc/70/87/56/607708756.db2.gz FDSCJKMPYFTSGO-UHFFFAOYSA-N -1 3 362.846 3.228 20 0 FGADHM COc1ncc(CSc2nc(C)cc(C)c2-c2nn[n-]n2)cc1Cl ZINC000826222027 607708758 /nfs/dbraw/zinc/70/87/58/607708758.db2.gz FDSCJKMPYFTSGO-UHFFFAOYSA-N -1 3 362.846 3.228 20 0 FGADHM Cc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)cc2C)cc1-c1ncco1 ZINC000826250111 607709331 /nfs/dbraw/zinc/70/93/31/607709331.db2.gz LMTGVRAWTSWGKX-UHFFFAOYSA-N -1 3 360.377 3.391 20 0 FGADHM Cc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)cc2C)cc1-c1ncco1 ZINC000826250111 607709333 /nfs/dbraw/zinc/70/93/33/607709333.db2.gz LMTGVRAWTSWGKX-UHFFFAOYSA-N -1 3 360.377 3.391 20 0 FGADHM Fc1cccc(F)c1-n1ccc(COc2ccc(-c3nnn[n-]3)cc2F)n1 ZINC000826372231 607715047 /nfs/dbraw/zinc/71/50/47/607715047.db2.gz NOXLSEDVFQOOIG-UHFFFAOYSA-N -1 3 372.310 3.049 20 0 FGADHM Fc1cccc(F)c1-n1ccc(COc2ccc(-c3nn[n-]n3)cc2F)n1 ZINC000826372231 607715049 /nfs/dbraw/zinc/71/50/49/607715049.db2.gz NOXLSEDVFQOOIG-UHFFFAOYSA-N -1 3 372.310 3.049 20 0 FGADHM COc1ncc(CSc2ccc(-c3nnn[n-]3)cc2F)cc1Cl ZINC000826222515 607712865 /nfs/dbraw/zinc/71/28/65/607712865.db2.gz ZKDQQNVUCFLRPT-UHFFFAOYSA-N -1 3 351.794 3.355 20 0 FGADHM COc1ncc(CSc2ccc(-c3nn[n-]n3)cc2F)cc1Cl ZINC000826222515 607712867 /nfs/dbraw/zinc/71/28/67/607712867.db2.gz ZKDQQNVUCFLRPT-UHFFFAOYSA-N -1 3 351.794 3.355 20 0 FGADHM CC(C)[C@H](N[C@H](C)C(=O)N1CCC(C(=O)[O-])CC1)c1ccc(Cl)cc1 ZINC000827717327 604833967 /nfs/dbraw/zinc/83/39/67/604833967.db2.gz GMVFVKQMVHCLQP-DYVFJYSZSA-N -1 3 366.889 3.338 20 0 FGADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(C[C@@H](O)c2cccc(Br)c2)C1 ZINC000833421187 604950871 /nfs/dbraw/zinc/95/08/71/604950871.db2.gz JPCITCSCQKGATR-UKRRQHHQSA-N -1 3 370.287 3.305 20 0 FGADHM O=C(c1ccc(-c2nnn[n-]2)[nH]1)N(Cc1c(F)cccc1F)C1CCCC1 ZINC000826470772 607725717 /nfs/dbraw/zinc/72/57/17/607725717.db2.gz CCORULPKJSUOQU-UHFFFAOYSA-N -1 3 372.379 3.058 20 0 FGADHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N(Cc1c(F)cccc1F)C1CCCC1 ZINC000826470772 607725719 /nfs/dbraw/zinc/72/57/19/607725719.db2.gz CCORULPKJSUOQU-UHFFFAOYSA-N -1 3 372.379 3.058 20 0 FGADHM C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1Cc1ccc(C(=O)[O-])s1 ZINC000833599668 604970341 /nfs/dbraw/zinc/97/03/41/604970341.db2.gz GKSHDHXSMZXKSR-RYUDHWBXSA-N -1 3 354.472 3.324 20 0 FGADHM C[C@H](c1ccc(C(=O)[O-])o1)N1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000833546486 605037435 /nfs/dbraw/zinc/03/74/35/605037435.db2.gz HFEKLZOTWWRIDE-ZIAGYGMSSA-N -1 3 358.442 3.236 20 0 FGADHM C/C(=C\CN(Cc1cc(C)nc(N2CCCCC2)n1)CC(C)C)C(=O)[O-] ZINC000833385182 605051468 /nfs/dbraw/zinc/05/14/68/605051468.db2.gz UGGGNAMEQJPQBT-LZYBPNLTSA-N -1 3 360.502 3.264 20 0 FGADHM O[C@@H](c1ccccc1)C1(CNc2nc3ccccc3cc2-c2nnn[n-]2)CC1 ZINC000826505521 607735295 /nfs/dbraw/zinc/73/52/95/607735295.db2.gz XLXNYIDMBSNEQC-SFHVURJKSA-N -1 3 372.432 3.341 20 0 FGADHM O[C@@H](c1ccccc1)C1(CNc2nc3ccccc3cc2-c2nn[n-]n2)CC1 ZINC000826505521 607735296 /nfs/dbraw/zinc/73/52/96/607735296.db2.gz XLXNYIDMBSNEQC-SFHVURJKSA-N -1 3 372.432 3.341 20 0 FGADHM CN(C(=O)[O-])[C@@H]1CCCN(CCC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000827822045 605151514 /nfs/dbraw/zinc/15/15/14/605151514.db2.gz FRUHUUSCKVYGAZ-GFCCVEGCSA-N -1 3 373.375 3.108 20 0 FGADHM Cc1cccc(-c2ccc(CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)cc2)c1 ZINC000826295363 607740608 /nfs/dbraw/zinc/74/06/08/607740608.db2.gz DNHMBZZENFKIRL-UHFFFAOYSA-N -1 3 358.405 3.100 20 0 FGADHM Cc1cccc(-c2ccc(CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)cc2)c1 ZINC000826295363 607740609 /nfs/dbraw/zinc/74/06/09/607740609.db2.gz DNHMBZZENFKIRL-UHFFFAOYSA-N -1 3 358.405 3.100 20 0 FGADHM CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)N2Cc1ccsc1C(=O)[O-] ZINC000833436085 605221351 /nfs/dbraw/zinc/22/13/51/605221351.db2.gz CKPJXBBCDMEOHR-KGLIPLIRSA-N -1 3 366.483 3.420 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1nc(C)sc1C ZINC000825332230 607742829 /nfs/dbraw/zinc/74/28/29/607742829.db2.gz GAHVQYFJIFRVPF-UHFFFAOYSA-N -1 3 357.443 3.014 20 0 FGADHM CN(CCNC(=O)Nc1ccc(NC(=O)[O-])c(F)c1)Cc1ccccc1 ZINC000833693797 605283164 /nfs/dbraw/zinc/28/31/64/605283164.db2.gz SCPZPTUYRARFDH-UHFFFAOYSA-N -1 3 360.389 3.169 20 0 FGADHM CCN(C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(c1ccccc1)c1ccccc1 ZINC000825380874 607748454 /nfs/dbraw/zinc/74/84/54/607748454.db2.gz WKEPXRIDBKFXQA-UHFFFAOYSA-N -1 3 372.432 3.447 20 0 FGADHM CCN(C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(c1ccccc1)c1ccccc1 ZINC000825380874 607748455 /nfs/dbraw/zinc/74/84/55/607748455.db2.gz WKEPXRIDBKFXQA-UHFFFAOYSA-N -1 3 372.432 3.447 20 0 FGADHM COc1ccc(CNC(=O)C[C@H]2CCCCC2(C)C)cc1-c1nnn[n-]1 ZINC000826196729 607755198 /nfs/dbraw/zinc/75/51/98/607755198.db2.gz MKYOANKKJFGNFP-CQSZACIVSA-N -1 3 357.458 3.098 20 0 FGADHM O=C([O-])N[C@@H]1CCC[C@@H]2CN(Cc3coc(-c4ccc(F)cc4)n3)C[C@@H]21 ZINC000834186931 605433338 /nfs/dbraw/zinc/43/33/38/605433338.db2.gz XQNQRCYOTWHAQH-XOKHGSTOSA-N -1 3 359.401 3.349 20 0 FGADHM COc1ccc(CNC(=O)C[C@H]2CCCCC2(C)C)cc1-c1nn[n-]n1 ZINC000826196729 607755199 /nfs/dbraw/zinc/75/51/99/607755199.db2.gz MKYOANKKJFGNFP-CQSZACIVSA-N -1 3 357.458 3.098 20 0 FGADHM O=C(c1ccc(-c2nnn[n-]2)[nH]1)N1CCC[C@@H](CCCc2ccccc2)C1 ZINC000826471083 607757260 /nfs/dbraw/zinc/75/72/60/607757260.db2.gz NBABXMZZJJMUMX-MRXNPFEDSA-N -1 3 364.453 3.070 20 0 FGADHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1CCC[C@@H](CCCc2ccccc2)C1 ZINC000826471083 607757261 /nfs/dbraw/zinc/75/72/61/607757261.db2.gz NBABXMZZJJMUMX-MRXNPFEDSA-N -1 3 364.453 3.070 20 0 FGADHM CCc1oc(C(=O)[O-])cc1CN1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000833678898 605475434 /nfs/dbraw/zinc/47/54/34/605475434.db2.gz REZSYUPJKYWGEI-CHWSQXEVSA-N -1 3 366.458 3.275 20 0 FGADHM CCOC(=O)Nc1ccc(NC(=O)C(F)=C2CCCC2)cc1-c1nnn[n-]1 ZINC000825531787 607761821 /nfs/dbraw/zinc/76/18/21/607761821.db2.gz LUOOBAQCEFLYLD-UHFFFAOYSA-N -1 3 374.376 3.171 20 0 FGADHM CCOC(=O)Nc1ccc(NC(=O)C(F)=C2CCCC2)cc1-c1nn[n-]n1 ZINC000825531787 607761822 /nfs/dbraw/zinc/76/18/22/607761822.db2.gz LUOOBAQCEFLYLD-UHFFFAOYSA-N -1 3 374.376 3.171 20 0 FGADHM CCOC(=O)Nc1ccc(NC(=O)C[C@@H]2CC[C@H](C)C2)cc1-c1nnn[n-]1 ZINC000825532271 607761716 /nfs/dbraw/zinc/76/17/16/607761716.db2.gz QOPMYWRCXVMBNY-NWDGAFQWSA-N -1 3 372.429 3.200 20 0 FGADHM CCOC(=O)Nc1ccc(NC(=O)C[C@@H]2CC[C@H](C)C2)cc1-c1nn[n-]n1 ZINC000825532271 607761717 /nfs/dbraw/zinc/76/17/17/607761717.db2.gz QOPMYWRCXVMBNY-NWDGAFQWSA-N -1 3 372.429 3.200 20 0 FGADHM CC(C)C[C@@H](C)NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000824229105 607763169 /nfs/dbraw/zinc/76/31/69/607763169.db2.gz NNMWGFUGUYFAIQ-CYBMUJFWSA-N -1 3 366.425 3.218 20 0 FGADHM CC(C)C[C@@H](C)NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000824229105 607763170 /nfs/dbraw/zinc/76/31/70/607763170.db2.gz NNMWGFUGUYFAIQ-CYBMUJFWSA-N -1 3 366.425 3.218 20 0 FGADHM Cc1nn(Cc2ccccc2)c(C)c1CN1CCC[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000833921028 605598934 /nfs/dbraw/zinc/59/89/34/605598934.db2.gz QABXUBJPOYVRAS-KXBFYZLASA-N -1 3 370.497 3.416 20 0 FGADHM Cc1noc(C)c1CCN[C@H]1C[C@@]2(CCN(C(=O)[O-])C2)Oc2ccccc21 ZINC000833930354 605636038 /nfs/dbraw/zinc/63/60/38/605636038.db2.gz DXDJALIGJPECRJ-FXAWDEMLSA-N -1 3 371.437 3.070 20 0 FGADHM O=C([O-])N1CC(CNCc2nc3c(s2)C[C@@H](c2ccccc2)CC3)C1 ZINC000834068388 605639028 /nfs/dbraw/zinc/63/90/28/605639028.db2.gz CLPXOWGCKDKMPB-HNNXBMFYSA-N -1 3 357.479 3.115 20 0 FGADHM O=C([O-])Nc1ccc(CN2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)cn1 ZINC000834259485 605674297 /nfs/dbraw/zinc/67/42/97/605674297.db2.gz ATSLNQXWRVVVPZ-IRXDYDNUSA-N -1 3 359.401 3.399 20 0 FGADHM O=C([O-])N[C@@H]1C[C@H](NCc2ccccc2Cn2cccn2)c2ccccc21 ZINC000834159672 605790302 /nfs/dbraw/zinc/79/03/02/605790302.db2.gz VYDGJGCYLSDAHD-VQTJNVASSA-N -1 3 362.433 3.475 20 0 FGADHM O=C([O-])N[C@H]1C[C@@H](NCc2ccc3c(c2)OCCCO3)c2ccccc21 ZINC000834159773 605798379 /nfs/dbraw/zinc/79/83/79/605798379.db2.gz XDCLQEDLZPKGHP-SJORKVTESA-N -1 3 354.406 3.391 20 0 FGADHM O=C([O-])N1CCC[C@H](CN2C[C@@H](O)C[C@H]2c2cccc(C(F)(F)F)c2)C1 ZINC000834100634 605879656 /nfs/dbraw/zinc/87/96/56/605879656.db2.gz UHFBKLUAFWPJPG-RCBQFDQVSA-N -1 3 372.387 3.203 20 0 FGADHM Cc1nc(-c2ccccc2)oc1C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822419072 606027126 /nfs/dbraw/zinc/02/71/26/606027126.db2.gz LSVWSDQXHSQAPB-LBPRGKRZSA-N -1 3 374.404 3.321 20 0 FGADHM Cc1nc(-c2ccccc2)oc1C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822419072 606027132 /nfs/dbraw/zinc/02/71/32/606027132.db2.gz LSVWSDQXHSQAPB-LBPRGKRZSA-N -1 3 374.404 3.321 20 0 FGADHM O=C(c1ccc(Cl)cc1)C1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000823487353 606056476 /nfs/dbraw/zinc/05/64/76/606056476.db2.gz BDJIQWIBYKAVKL-UHFFFAOYSA-N -1 3 368.828 3.014 20 0 FGADHM O=C(c1ccc(Cl)cc1)C1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000823487353 606056483 /nfs/dbraw/zinc/05/64/83/606056483.db2.gz BDJIQWIBYKAVKL-UHFFFAOYSA-N -1 3 368.828 3.014 20 0 FGADHM c1ccc2nc(N3CCC(OC4CCCC4)CC3)c(-c3nnn[n-]3)cc2c1 ZINC000823802727 606066644 /nfs/dbraw/zinc/06/66/44/606066644.db2.gz ZXUUEZVKVXFOGO-UHFFFAOYSA-N -1 3 364.453 3.343 20 0 FGADHM c1ccc2nc(N3CCC(OC4CCCC4)CC3)c(-c3nn[n-]n3)cc2c1 ZINC000823802727 606066651 /nfs/dbraw/zinc/06/66/51/606066651.db2.gz ZXUUEZVKVXFOGO-UHFFFAOYSA-N -1 3 364.453 3.343 20 0 FGADHM Cc1noc(C(F)(F)F)c1C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000822520032 606067146 /nfs/dbraw/zinc/06/71/46/606067146.db2.gz QDIFDDQHNGZEQS-UHFFFAOYSA-N -1 3 372.694 3.088 20 0 FGADHM Cc1noc(C(F)(F)F)c1C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000822520032 606067152 /nfs/dbraw/zinc/06/71/52/606067152.db2.gz QDIFDDQHNGZEQS-UHFFFAOYSA-N -1 3 372.694 3.088 20 0 FGADHM c1ccc2nc(NC[C@H]3OCCc4ccccc43)c(-c3nnn[n-]3)cc2c1 ZINC000823797419 606085634 /nfs/dbraw/zinc/08/56/34/606085634.db2.gz OIASLDJMALRKLW-GOSISDBHSA-N -1 3 358.405 3.141 20 0 FGADHM c1ccc2nc(NC[C@H]3OCCc4ccccc43)c(-c3nn[n-]n3)cc2c1 ZINC000823797419 606085637 /nfs/dbraw/zinc/08/56/37/606085637.db2.gz OIASLDJMALRKLW-GOSISDBHSA-N -1 3 358.405 3.141 20 0 FGADHM FC(F)CN(CCOc1ccccc1-c1nnn[n-]1)Cc1ccccc1 ZINC000822727914 606093861 /nfs/dbraw/zinc/09/38/61/606093861.db2.gz BUOFZYXQLBSXRP-UHFFFAOYSA-N -1 3 359.380 3.013 20 0 FGADHM FC(F)CN(CCOc1ccccc1-c1nn[n-]n1)Cc1ccccc1 ZINC000822727914 606093867 /nfs/dbraw/zinc/09/38/67/606093867.db2.gz BUOFZYXQLBSXRP-UHFFFAOYSA-N -1 3 359.380 3.013 20 0 FGADHM C[C@@H](C(=O)Nc1ccc(-c2nnn[n-]2)cn1)c1ccc(Cl)c(Cl)c1 ZINC000819865338 606102627 /nfs/dbraw/zinc/10/26/27/606102627.db2.gz CWIXAVXFGDLANN-MRVPVSSYSA-N -1 3 363.208 3.311 20 0 FGADHM C[C@@H](C(=O)Nc1ccc(-c2nn[n-]n2)cn1)c1ccc(Cl)c(Cl)c1 ZINC000819865338 606102629 /nfs/dbraw/zinc/10/26/29/606102629.db2.gz CWIXAVXFGDLANN-MRVPVSSYSA-N -1 3 363.208 3.311 20 0 FGADHM CSCc1cc(C(=O)N(C)c2cccc(-c3nnn[n-]3)c2)ccc1F ZINC000821969988 606108327 /nfs/dbraw/zinc/10/83/27/606108327.db2.gz IDNMIFVBGXPIBR-UHFFFAOYSA-N -1 3 357.414 3.145 20 0 FGADHM CSCc1cc(C(=O)N(C)c2cccc(-c3nn[n-]n3)c2)ccc1F ZINC000821969988 606108329 /nfs/dbraw/zinc/10/83/29/606108329.db2.gz IDNMIFVBGXPIBR-UHFFFAOYSA-N -1 3 357.414 3.145 20 0 FGADHM CN(Cc1nc(C(F)(F)F)cs1)Cc1ccc(F)cc1-c1nnn[n-]1 ZINC000821617069 606111143 /nfs/dbraw/zinc/11/11/43/606111143.db2.gz VNFZHQOXPJUANS-UHFFFAOYSA-N -1 3 372.351 3.113 20 0 FGADHM CN(Cc1nc(C(F)(F)F)cs1)Cc1ccc(F)cc1-c1nn[n-]n1 ZINC000821617069 606111145 /nfs/dbraw/zinc/11/11/45/606111145.db2.gz VNFZHQOXPJUANS-UHFFFAOYSA-N -1 3 372.351 3.113 20 0 FGADHM CC(=CC(=O)NCc1cc(-c2nnn[n-]2)ccc1F)c1cccc(Cl)c1 ZINC000819766461 606112933 /nfs/dbraw/zinc/11/29/33/606112933.db2.gz ZDJLPVJLQXDHBC-XFFZJAGNSA-N -1 3 371.803 3.379 20 0 FGADHM CC(=CC(=O)NCc1cc(-c2nn[n-]n2)ccc1F)c1cccc(Cl)c1 ZINC000819766461 606112934 /nfs/dbraw/zinc/11/29/34/606112934.db2.gz ZDJLPVJLQXDHBC-XFFZJAGNSA-N -1 3 371.803 3.379 20 0 FGADHM C[C@@H](NC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)[C@@H](C)c1ccccc1 ZINC000820351640 606119363 /nfs/dbraw/zinc/11/93/63/606119363.db2.gz QKVABZKQVAMSNB-KFWWJZLASA-N -1 3 364.453 3.419 20 0 FGADHM C[C@@H](NC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)[C@@H](C)c1ccccc1 ZINC000820351640 606119364 /nfs/dbraw/zinc/11/93/64/606119364.db2.gz QKVABZKQVAMSNB-KFWWJZLASA-N -1 3 364.453 3.419 20 0 FGADHM CCS[C@@H]1CCCC[C@@H]1NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000821455901 606121696 /nfs/dbraw/zinc/12/16/96/606121696.db2.gz MOBGNVSJJWVZRV-HMUVLFPJSA-N -1 3 357.483 3.060 20 0 FGADHM CCS[C@@H]1CCCC[C@@H]1NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000821455901 606121697 /nfs/dbraw/zinc/12/16/97/606121697.db2.gz MOBGNVSJJWVZRV-HMUVLFPJSA-N -1 3 357.483 3.060 20 0 FGADHM CCS[C@H]1CCCC[C@H]1NC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000821456319 606130803 /nfs/dbraw/zinc/13/08/03/606130803.db2.gz OZRGWEYCIUFMMN-CVEARBPZSA-N -1 3 374.514 3.072 20 0 FGADHM CCS[C@H]1CCCC[C@H]1NC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000821456319 606130804 /nfs/dbraw/zinc/13/08/04/606130804.db2.gz OZRGWEYCIUFMMN-CVEARBPZSA-N -1 3 374.514 3.072 20 0 FGADHM Cc1cccn2cc(CCNc3ccc(-c4nnn[n-]4)c(Cl)c3)nc12 ZINC000822366299 606139388 /nfs/dbraw/zinc/13/93/88/606139388.db2.gz HBPVNQCIZMKNBI-UHFFFAOYSA-N -1 3 353.817 3.131 20 0 FGADHM Cc1cccn2cc(CCNc3ccc(-c4nn[n-]n4)c(Cl)c3)nc12 ZINC000822366299 606139389 /nfs/dbraw/zinc/13/93/89/606139389.db2.gz HBPVNQCIZMKNBI-UHFFFAOYSA-N -1 3 353.817 3.131 20 0 FGADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H]1CC12CCCC2 ZINC000820087080 606147780 /nfs/dbraw/zinc/14/77/80/606147780.db2.gz KPTJRJQRXVFORD-QGZVFWFLSA-N -1 3 353.470 3.432 20 0 FGADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H]1CC12CCCC2 ZINC000820087080 606147782 /nfs/dbraw/zinc/14/77/82/606147782.db2.gz KPTJRJQRXVFORD-QGZVFWFLSA-N -1 3 353.470 3.432 20 0 FGADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)c1cccc2[nH]ccc21 ZINC000823299052 606152786 /nfs/dbraw/zinc/15/27/86/606152786.db2.gz FJHZSGIKJNREMD-UHFFFAOYSA-N -1 3 370.319 3.202 20 0 FGADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)c1cccc2[nH]ccc21 ZINC000823299052 606152788 /nfs/dbraw/zinc/15/27/88/606152788.db2.gz FJHZSGIKJNREMD-UHFFFAOYSA-N -1 3 370.319 3.202 20 0 FGADHM C[C@H](NC(=S)Nc1ccccc1-c1nnn[n-]1)[C@@H](C)c1ccccc1 ZINC000820403685 606167301 /nfs/dbraw/zinc/16/73/01/606167301.db2.gz KYPCZSZANUOISL-OLZOCXBDSA-N -1 3 352.467 3.345 20 0 FGADHM C[C@H](NC(=S)Nc1ccccc1-c1nn[n-]n1)[C@@H](C)c1ccccc1 ZINC000820403685 606167302 /nfs/dbraw/zinc/16/73/02/606167302.db2.gz KYPCZSZANUOISL-OLZOCXBDSA-N -1 3 352.467 3.345 20 0 FGADHM C[C@@H](OC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1nc2ccccc2n1C ZINC000820487493 606169038 /nfs/dbraw/zinc/16/90/38/606169038.db2.gz HIPOVEKDWPUXTC-XZHRJIJLSA-N -1 3 374.404 3.071 20 0 FGADHM C[C@@H](OC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1nc2ccccc2n1C ZINC000820487493 606169039 /nfs/dbraw/zinc/16/90/39/606169039.db2.gz HIPOVEKDWPUXTC-XZHRJIJLSA-N -1 3 374.404 3.071 20 0 FGADHM C[C@H](SCC(=O)N(C)Cc1cccs1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820550647 606179248 /nfs/dbraw/zinc/17/92/48/606179248.db2.gz YFRPJJNQBZLEIC-LBPRGKRZSA-N -1 3 373.507 3.381 20 0 FGADHM C[C@H](SCC(=O)N(C)Cc1cccs1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820550647 606179250 /nfs/dbraw/zinc/17/92/50/606179250.db2.gz YFRPJJNQBZLEIC-LBPRGKRZSA-N -1 3 373.507 3.381 20 0 FGADHM O=C(Nc1cccc(O)c1)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000823367293 606183626 /nfs/dbraw/zinc/18/36/26/606183626.db2.gz IFJXAUZHICEJPC-UHFFFAOYSA-N -1 3 357.373 3.492 20 0 FGADHM O=C(Nc1cccc(O)c1)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000823367293 606183627 /nfs/dbraw/zinc/18/36/27/606183627.db2.gz IFJXAUZHICEJPC-UHFFFAOYSA-N -1 3 357.373 3.492 20 0 FGADHM CCc1ccc(C(C)(C)CNC(=O)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821476309 606189880 /nfs/dbraw/zinc/18/98/80/606189880.db2.gz METPMUHPTVBUMG-UHFFFAOYSA-N -1 3 363.465 3.066 20 0 FGADHM CCc1ccc(C(C)(C)CNC(=O)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821476309 606189882 /nfs/dbraw/zinc/18/98/82/606189882.db2.gz METPMUHPTVBUMG-UHFFFAOYSA-N -1 3 363.465 3.066 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(C(C)=O)cc1 ZINC000821123133 606193037 /nfs/dbraw/zinc/19/30/37/606193037.db2.gz KPQCQXHHDTZDTM-UHFFFAOYSA-N -1 3 364.409 3.144 20 0 FGADHM Cc1ccc(CCCC(=O)OCCOc2cccc(-c3nnn[n-]3)c2)s1 ZINC000822236324 606194479 /nfs/dbraw/zinc/19/44/79/606194479.db2.gz UFNGANLDHGKQSJ-UHFFFAOYSA-N -1 3 372.450 3.182 20 0 FGADHM Cc1ccc(CCCC(=O)OCCOc2cccc(-c3nn[n-]n3)c2)s1 ZINC000822236324 606194481 /nfs/dbraw/zinc/19/44/81/606194481.db2.gz UFNGANLDHGKQSJ-UHFFFAOYSA-N -1 3 372.450 3.182 20 0 FGADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1)c1cccc(C(F)(F)F)c1F ZINC000823418686 606194622 /nfs/dbraw/zinc/19/46/22/606194622.db2.gz UJMMLGKDNZNWGF-UHFFFAOYSA-N -1 3 366.274 3.382 20 0 FGADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1)c1cccc(C(F)(F)F)c1F ZINC000823418686 606194624 /nfs/dbraw/zinc/19/46/24/606194624.db2.gz UJMMLGKDNZNWGF-UHFFFAOYSA-N -1 3 366.274 3.382 20 0 FGADHM Cc1sc(NC(=O)CN(C)c2cccc(C)c2C)c(-c2nnn[n-]2)c1C ZINC000822309148 606200306 /nfs/dbraw/zinc/20/03/06/606200306.db2.gz NQQIFEKNGXQZSA-UHFFFAOYSA-N -1 3 370.482 3.237 20 0 FGADHM Cc1sc(NC(=O)CN(C)c2cccc(C)c2C)c(-c2nn[n-]n2)c1C ZINC000822309148 606200308 /nfs/dbraw/zinc/20/03/08/606200308.db2.gz NQQIFEKNGXQZSA-UHFFFAOYSA-N -1 3 370.482 3.237 20 0 FGADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Oc1ccc2oc3ccccc3c2c1 ZINC000822665622 606209746 /nfs/dbraw/zinc/20/97/46/606209746.db2.gz UQVDCPIRVAUSHI-UHFFFAOYSA-N -1 3 359.345 3.324 20 0 FGADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Oc1ccc2oc3ccccc3c2c1 ZINC000822665622 606209747 /nfs/dbraw/zinc/20/97/47/606209747.db2.gz UQVDCPIRVAUSHI-UHFFFAOYSA-N -1 3 359.345 3.324 20 0 FGADHM CN(Cc1nc2ccccc2n1C)c1c(Cl)cccc1-c1nnn[n-]1 ZINC000821618217 606221402 /nfs/dbraw/zinc/22/14/02/606221402.db2.gz WAVQKIYQUXJGQG-UHFFFAOYSA-N -1 3 353.817 3.043 20 0 FGADHM CN(Cc1nc2ccccc2n1C)c1c(Cl)cccc1-c1nn[n-]n1 ZINC000821618217 606221403 /nfs/dbraw/zinc/22/14/03/606221403.db2.gz WAVQKIYQUXJGQG-UHFFFAOYSA-N -1 3 353.817 3.043 20 0 FGADHM COC[C@H](Nc1cc(-c2nnn[n-]2)c2ccccc2n1)c1ccc(C)o1 ZINC000821683706 606222633 /nfs/dbraw/zinc/22/26/33/606222633.db2.gz ILKZLOHXSPDDML-HNNXBMFYSA-N -1 3 350.382 3.116 20 0 FGADHM COC[C@H](Nc1cc(-c2nn[n-]n2)c2ccccc2n1)c1ccc(C)o1 ZINC000821683706 606222635 /nfs/dbraw/zinc/22/26/35/606222635.db2.gz ILKZLOHXSPDDML-HNNXBMFYSA-N -1 3 350.382 3.116 20 0 FGADHM Cn1c(CCCNc2c(F)cc(-c3nnn[n-]3)cc2F)nc2ccccc21 ZINC000822595598 606223451 /nfs/dbraw/zinc/22/34/51/606223451.db2.gz AAZDXOQWCUNAHJ-UHFFFAOYSA-N -1 3 369.379 3.076 20 0 FGADHM Cn1c(CCCNc2c(F)cc(-c3nn[n-]n3)cc2F)nc2ccccc21 ZINC000822595598 606223452 /nfs/dbraw/zinc/22/34/52/606223452.db2.gz AAZDXOQWCUNAHJ-UHFFFAOYSA-N -1 3 369.379 3.076 20 0 FGADHM COc1ccc(CNc2ccc(OCC(F)F)cc2)cc1-c1nnn[n-]1 ZINC000821821679 606238313 /nfs/dbraw/zinc/23/83/13/606238313.db2.gz QQTAZODODPJGFI-UHFFFAOYSA-N -1 3 361.352 3.131 20 0 FGADHM COc1ccc(CNc2ccc(OCC(F)F)cc2)cc1-c1nn[n-]n1 ZINC000821821679 606238314 /nfs/dbraw/zinc/23/83/14/606238314.db2.gz QQTAZODODPJGFI-UHFFFAOYSA-N -1 3 361.352 3.131 20 0 FGADHM CCc1cccc(C)c1N[C@@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O ZINC000821492507 606244822 /nfs/dbraw/zinc/24/48/22/606244822.db2.gz OURSSANLXZJEIQ-CQSZACIVSA-N -1 3 368.466 3.016 20 0 FGADHM CCc1cccc(C)c1N[C@@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O ZINC000821492507 606244824 /nfs/dbraw/zinc/24/48/24/606244824.db2.gz OURSSANLXZJEIQ-CQSZACIVSA-N -1 3 368.466 3.016 20 0 FGADHM O=C(Nc1ccccc1COc1ccccc1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823373404 606261356 /nfs/dbraw/zinc/26/13/56/606261356.db2.gz YIUMPCQDCFTRDD-UHFFFAOYSA-N -1 3 360.377 3.026 20 0 FGADHM O=C(Nc1ccccc1COc1ccccc1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823373404 606261358 /nfs/dbraw/zinc/26/13/58/606261358.db2.gz YIUMPCQDCFTRDD-UHFFFAOYSA-N -1 3 360.377 3.026 20 0 FGADHM O=C(C[C@@H]1CCc2ccccc2C1)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000822945426 606270268 /nfs/dbraw/zinc/27/02/68/606270268.db2.gz DWZWONNCVALCLI-GFCCVEGCSA-N -1 3 351.385 3.140 20 0 FGADHM O=C(C[C@@H]1CCc2ccccc2C1)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000822945426 606270270 /nfs/dbraw/zinc/27/02/70/606270270.db2.gz DWZWONNCVALCLI-GFCCVEGCSA-N -1 3 351.385 3.140 20 0 FGADHM Cc1cccc(OCCCC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000822327779 606270585 /nfs/dbraw/zinc/27/05/85/606270585.db2.gz KFLPNCPICGEXMG-UHFFFAOYSA-N -1 3 355.373 3.112 20 0 FGADHM Cc1cccc(OCCCC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000822327779 606270586 /nfs/dbraw/zinc/27/05/86/606270586.db2.gz KFLPNCPICGEXMG-UHFFFAOYSA-N -1 3 355.373 3.112 20 0 FGADHM O=C(Cc1ccccc1C(F)(F)F)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000823115130 606270890 /nfs/dbraw/zinc/27/08/90/606270890.db2.gz KOLQKUGQARUSBZ-UHFFFAOYSA-N -1 3 365.290 3.206 20 0 FGADHM O=C(Cc1ccccc1C(F)(F)F)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000823115130 606270892 /nfs/dbraw/zinc/27/08/92/606270892.db2.gz KOLQKUGQARUSBZ-UHFFFAOYSA-N -1 3 365.290 3.206 20 0 FGADHM C[C@H]1[C@@H](c2ccccc2)CCN1C(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000820643613 606296051 /nfs/dbraw/zinc/29/60/51/606296051.db2.gz XJURGQFGJFNYKA-ZFWWWQNUSA-N -1 3 364.478 3.442 20 0 FGADHM C[C@H]1[C@@H](c2ccccc2)CCN1C(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000820643613 606296052 /nfs/dbraw/zinc/29/60/52/606296052.db2.gz XJURGQFGJFNYKA-ZFWWWQNUSA-N -1 3 364.478 3.442 20 0 FGADHM O=C(OCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)[C@@H]1CCCS1 ZINC000823417532 606311404 /nfs/dbraw/zinc/31/14/04/606311404.db2.gz CIVHDNNIWXGWNB-KRWDZBQOSA-N -1 3 366.446 3.473 20 0 FGADHM O=C(OCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)[C@@H]1CCCS1 ZINC000823417532 606311406 /nfs/dbraw/zinc/31/14/06/606311406.db2.gz CIVHDNNIWXGWNB-KRWDZBQOSA-N -1 3 366.446 3.473 20 0 FGADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N(Cc1ccsc1)c1ccccc1 ZINC000823460274 606319341 /nfs/dbraw/zinc/31/93/41/606319341.db2.gz KWACFMHMIWCVLR-UHFFFAOYSA-N -1 3 350.407 3.103 20 0 FGADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N(Cc1ccsc1)c1ccccc1 ZINC000823460274 606319342 /nfs/dbraw/zinc/31/93/42/606319342.db2.gz KWACFMHMIWCVLR-UHFFFAOYSA-N -1 3 350.407 3.103 20 0 FGADHM O=C1[C@H](Sc2cccc(-c3nnn[n-]3)c2)CCCN1c1cccc(F)c1 ZINC000823512402 606325939 /nfs/dbraw/zinc/32/59/39/606325939.db2.gz OWHBGWKKEKEGMV-MRXNPFEDSA-N -1 3 369.425 3.294 20 0 FGADHM O=C1[C@H](Sc2cccc(-c3nn[n-]n3)c2)CCCN1c1cccc(F)c1 ZINC000823512402 606325941 /nfs/dbraw/zinc/32/59/41/606325941.db2.gz OWHBGWKKEKEGMV-MRXNPFEDSA-N -1 3 369.425 3.294 20 0 FGADHM C[C@@H](OC(=O)C1(c2ccc(F)cc2)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820488883 606338616 /nfs/dbraw/zinc/33/86/16/606338616.db2.gz WDZYPHKIFSGRSP-GFCCVEGCSA-N -1 3 352.369 3.342 20 0 FGADHM C[C@@H](OC(=O)C1(c2ccc(F)cc2)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820488883 606338618 /nfs/dbraw/zinc/33/86/18/606338618.db2.gz WDZYPHKIFSGRSP-GFCCVEGCSA-N -1 3 352.369 3.342 20 0 FGADHM C[C@@H](OC(=O)CCOc1cccc(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820495911 606338689 /nfs/dbraw/zinc/33/86/89/606338689.db2.gz KNEBSXDXRGZDOG-GFCCVEGCSA-N -1 3 356.357 3.079 20 0 FGADHM C[C@@H](OC(=O)CCOc1cccc(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820495911 606338691 /nfs/dbraw/zinc/33/86/91/606338691.db2.gz KNEBSXDXRGZDOG-GFCCVEGCSA-N -1 3 356.357 3.079 20 0 FGADHM Cc1cc2c(cc1C)O[C@@H](C(=O)O[C@@H](C)c1ccc(-c3nnn[n-]3)cc1)C2 ZINC000822213068 606343220 /nfs/dbraw/zinc/34/32/20/606343220.db2.gz SLHNKKHQBRLTGA-SCLBCKFNSA-N -1 3 364.405 3.091 20 0 FGADHM Cc1cc2c(cc1C)O[C@@H](C(=O)O[C@@H](C)c1ccc(-c3nn[n-]n3)cc1)C2 ZINC000822213068 606343222 /nfs/dbraw/zinc/34/32/22/606343222.db2.gz SLHNKKHQBRLTGA-SCLBCKFNSA-N -1 3 364.405 3.091 20 0 FGADHM C[C@@H](OC(=O)c1cccc(OC(F)F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820512301 606344743 /nfs/dbraw/zinc/34/47/43/606344743.db2.gz JFFNXYPHZXGRHO-SNVBAGLBSA-N -1 3 360.320 3.386 20 0 FGADHM C[C@@H](OC(=O)c1cccc(OC(F)F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820512301 606344745 /nfs/dbraw/zinc/34/47/45/606344745.db2.gz JFFNXYPHZXGRHO-SNVBAGLBSA-N -1 3 360.320 3.386 20 0 FGADHM C[C@@H](OC(=O)c1cc(=O)[nH]c2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000820507625 606346041 /nfs/dbraw/zinc/34/60/41/606346041.db2.gz ITSOHBKDRCGNJB-LLVKDONJSA-N -1 3 361.361 3.039 20 0 FGADHM C[C@@H](OC(=O)c1cc(=O)[nH]c2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000820507625 606346044 /nfs/dbraw/zinc/34/60/44/606346044.db2.gz ITSOHBKDRCGNJB-LLVKDONJSA-N -1 3 361.361 3.039 20 0 FGADHM C[C@@H](OC(=O)CCCOc1ccccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000820497445 606347608 /nfs/dbraw/zinc/34/76/08/606347608.db2.gz RMRKAACOOJTGGT-CYBMUJFWSA-N -1 3 370.384 3.469 20 0 FGADHM C[C@@H](OC(=O)CCCOc1ccccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000820497445 606347610 /nfs/dbraw/zinc/34/76/10/606347610.db2.gz RMRKAACOOJTGGT-CYBMUJFWSA-N -1 3 370.384 3.469 20 0 FGADHM CC(C)c1nn(C)c(Cl)c1C(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820206470 606350587 /nfs/dbraw/zinc/35/05/87/606350587.db2.gz MBVVNSMTLRTXDE-SNVBAGLBSA-N -1 3 374.832 3.295 20 0 FGADHM CC(C)c1nn(C)c(Cl)c1C(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820206470 606350589 /nfs/dbraw/zinc/35/05/89/606350589.db2.gz MBVVNSMTLRTXDE-SNVBAGLBSA-N -1 3 374.832 3.295 20 0 FGADHM C[C@@H](OC(=O)c1coc(Br)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820518882 606358325 /nfs/dbraw/zinc/35/83/25/606358325.db2.gz MSUSJOJJRRQSOI-MRVPVSSYSA-N -1 3 363.171 3.140 20 0 FGADHM C[C@@H](OC(=O)c1coc(Br)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820518882 606358327 /nfs/dbraw/zinc/35/83/27/606358327.db2.gz MSUSJOJJRRQSOI-MRVPVSSYSA-N -1 3 363.171 3.140 20 0 FGADHM C[C@H](c1ccccc1)[C@H](C)NC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820379753 606358919 /nfs/dbraw/zinc/35/89/19/606358919.db2.gz GJRSUJSFMDKPTI-RYUDHWBXSA-N -1 3 354.389 3.320 20 0 FGADHM C[C@H](c1ccccc1)[C@H](C)NC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820379753 606358921 /nfs/dbraw/zinc/35/89/21/606358921.db2.gz GJRSUJSFMDKPTI-RYUDHWBXSA-N -1 3 354.389 3.320 20 0 FGADHM C[C@H](OC(=O)c1cc(-c2nnn[n-]2)cn1C)c1ccc(Cl)cc1Cl ZINC000820508497 606386590 /nfs/dbraw/zinc/38/65/90/606386590.db2.gz QHDDLIOCFBYEPR-QMMMGPOBSA-N -1 3 366.208 3.430 20 0 FGADHM C[C@H](OC(=O)c1cc(-c2nn[n-]n2)cn1C)c1ccc(Cl)cc1Cl ZINC000820508497 606386591 /nfs/dbraw/zinc/38/65/91/606386591.db2.gz QHDDLIOCFBYEPR-QMMMGPOBSA-N -1 3 366.208 3.430 20 0 FGADHM CCc1ccc(C(C)(C)NC(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821477079 606391847 /nfs/dbraw/zinc/39/18/47/606391847.db2.gz XMZPTAJPBUIZFX-UHFFFAOYSA-N -1 3 364.453 3.164 20 0 FGADHM CCc1ccc(C(C)(C)NC(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821477079 606391850 /nfs/dbraw/zinc/39/18/50/606391850.db2.gz XMZPTAJPBUIZFX-UHFFFAOYSA-N -1 3 364.453 3.164 20 0 FGADHM CCOCCOCc1cccc(NCc2ccc(-c3nnn[n-]3)s2)c1 ZINC000821383667 606411130 /nfs/dbraw/zinc/41/11/30/606411130.db2.gz HGAKBXIZAUZUPG-UHFFFAOYSA-N -1 3 359.455 3.093 20 0 FGADHM CC[C@@H](c1nnc(Sc2ncccc2-c2nnn[n-]2)o1)c1ccccc1 ZINC000820945399 606432462 /nfs/dbraw/zinc/43/24/62/606432462.db2.gz SKSCRNVKBFJDTN-GFCCVEGCSA-N -1 3 365.422 3.338 20 0 FGADHM CC[C@@H](c1nnc(Sc2ncccc2-c2nn[n-]n2)o1)c1ccccc1 ZINC000820945399 606432464 /nfs/dbraw/zinc/43/24/64/606432464.db2.gz SKSCRNVKBFJDTN-GFCCVEGCSA-N -1 3 365.422 3.338 20 0 FGADHM O=C1CCCN1c1ccc(CNc2c(Cl)cccc2-c2nnn[n-]2)cc1 ZINC000823531096 606444106 /nfs/dbraw/zinc/44/41/06/606444106.db2.gz YFLSALREMUBAJS-UHFFFAOYSA-N -1 3 368.828 3.259 20 0 FGADHM O=C1CCCN1c1ccc(CNc2c(Cl)cccc2-c2nn[n-]n2)cc1 ZINC000823531096 606444108 /nfs/dbraw/zinc/44/41/08/606444108.db2.gz YFLSALREMUBAJS-UHFFFAOYSA-N -1 3 368.828 3.259 20 0 FGADHM COC(=O)c1ccc(OC(C)C)c(NCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000821669345 606452224 /nfs/dbraw/zinc/45/22/24/606452224.db2.gz HIQVTKHJAMWIMS-UHFFFAOYSA-N -1 3 367.409 3.053 20 0 FGADHM COC(=O)c1ccc(OC(C)C)c(NCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000821669345 606452225 /nfs/dbraw/zinc/45/22/25/606452225.db2.gz HIQVTKHJAMWIMS-UHFFFAOYSA-N -1 3 367.409 3.053 20 0 FGADHM Clc1ccc(NCc2ccc(-n3cccn3)cc2)c(-c2nnn[n-]2)c1 ZINC000822578491 606454362 /nfs/dbraw/zinc/45/43/62/606454362.db2.gz JQSJTHYXBXWLQD-UHFFFAOYSA-N -1 3 351.801 3.318 20 0 FGADHM Clc1ccc(NCc2ccc(-n3cccn3)cc2)c(-c2nn[n-]n2)c1 ZINC000822578491 606454364 /nfs/dbraw/zinc/45/43/64/606454364.db2.gz JQSJTHYXBXWLQD-UHFFFAOYSA-N -1 3 351.801 3.318 20 0 FGADHM CCc1ccc(CC)c(NC(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)c1 ZINC000821482827 606459478 /nfs/dbraw/zinc/45/94/78/606459478.db2.gz VNWOUYWIRHDONQ-CYBMUJFWSA-N -1 3 365.437 3.398 20 0 FGADHM CCc1ccc(CC)c(NC(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)c1 ZINC000821482827 606459480 /nfs/dbraw/zinc/45/94/80/606459480.db2.gz VNWOUYWIRHDONQ-CYBMUJFWSA-N -1 3 365.437 3.398 20 0 FGADHM Cc1ccc(Oc2ccc(NCc3cccc(-c4nnn[n-]4)c3)cc2)nn1 ZINC000822266608 606462408 /nfs/dbraw/zinc/46/24/08/606462408.db2.gz FDQISAFWFAIPJN-UHFFFAOYSA-N -1 3 359.393 3.370 20 0 FGADHM Cc1ccc(Oc2ccc(NCc3cccc(-c4nn[n-]n4)c3)cc2)nn1 ZINC000822266608 606462409 /nfs/dbraw/zinc/46/24/09/606462409.db2.gz FDQISAFWFAIPJN-UHFFFAOYSA-N -1 3 359.393 3.370 20 0 FGADHM C[C@H](CCCOCc1ccccc1)OC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820243214 606465745 /nfs/dbraw/zinc/46/57/45/606465745.db2.gz YICBNKQWPXIKOS-CYBMUJFWSA-N -1 3 372.450 3.471 20 0 FGADHM C[C@H](CCCOCc1ccccc1)OC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820243214 606465746 /nfs/dbraw/zinc/46/57/46/606465746.db2.gz YICBNKQWPXIKOS-CYBMUJFWSA-N -1 3 372.450 3.471 20 0 FGADHM C[C@H](OC(=O)c1cc(-c2nn[n-]n2)cs1)c1nc2cc(Cl)ccc2[nH]1 ZINC000820508070 606466105 /nfs/dbraw/zinc/46/61/05/606466105.db2.gz LXXMWMMQZLJOGD-ZETCQYMHSA-N -1 3 374.813 3.376 20 0 FGADHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(NC[C@@H](C)c3ccncc3)c2c1 ZINC000822195162 606477873 /nfs/dbraw/zinc/47/78/73/606477873.db2.gz IXULKOMOLPFTJO-CQSZACIVSA-N -1 3 359.437 3.064 20 0 FGADHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(NC[C@@H](C)c3ccncc3)c2c1 ZINC000822195162 606477875 /nfs/dbraw/zinc/47/78/75/606477875.db2.gz IXULKOMOLPFTJO-CQSZACIVSA-N -1 3 359.437 3.064 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N[C@H](C1CCCC1)C(F)(F)F ZINC000823308500 606480386 /nfs/dbraw/zinc/48/03/86/606480386.db2.gz CAAXHGLMPRDPIG-GFCCVEGCSA-N -1 3 354.336 3.109 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N[C@H](C1CCCC1)C(F)(F)F ZINC000823308500 606480387 /nfs/dbraw/zinc/48/03/87/606480387.db2.gz CAAXHGLMPRDPIG-GFCCVEGCSA-N -1 3 354.336 3.109 20 0 FGADHM CCN(C(=O)c1cc(-c2nnn[n-]2)cs1)c1nc2ccccc2s1 ZINC000821159442 606483404 /nfs/dbraw/zinc/48/34/04/606483404.db2.gz BSBHOLZOCOCXBL-UHFFFAOYSA-N -1 3 356.436 3.205 20 0 FGADHM CCN(C(=O)c1cc(-c2nn[n-]n2)cs1)c1nc2ccccc2s1 ZINC000821159442 606483406 /nfs/dbraw/zinc/48/34/06/606483406.db2.gz BSBHOLZOCOCXBL-UHFFFAOYSA-N -1 3 356.436 3.205 20 0 FGADHM C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)cs1)c1ccc(OC(F)F)cc1 ZINC000820389916 606488351 /nfs/dbraw/zinc/48/83/51/606488351.db2.gz BPEKUDNKIVBVRC-MRVPVSSYSA-N -1 3 365.365 3.021 20 0 FGADHM C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)cs1)c1ccc(OC(F)F)cc1 ZINC000820389916 606488352 /nfs/dbraw/zinc/48/83/52/606488352.db2.gz BPEKUDNKIVBVRC-MRVPVSSYSA-N -1 3 365.365 3.021 20 0 FGADHM CC(C)Cc1ccc([C@@H](C)NC(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000820107876 606491044 /nfs/dbraw/zinc/49/10/44/606491044.db2.gz CYSYYZWWVGFJGU-OAHLLOKOSA-N -1 3 363.465 3.485 20 0 FGADHM CC(C)Cc1ccc([C@@H](C)NC(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000820107876 606491045 /nfs/dbraw/zinc/49/10/45/606491045.db2.gz CYSYYZWWVGFJGU-OAHLLOKOSA-N -1 3 363.465 3.485 20 0 FGADHM C[C@H](NC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1cccc2ccccc21 ZINC000820334196 606493099 /nfs/dbraw/zinc/49/30/99/606493099.db2.gz LASJWUPYDHSVTB-AWEZNQCLSA-N -1 3 357.417 3.440 20 0 FGADHM C[C@H](NC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1cccc2ccccc21 ZINC000820334196 606493101 /nfs/dbraw/zinc/49/31/01/606493101.db2.gz LASJWUPYDHSVTB-AWEZNQCLSA-N -1 3 357.417 3.440 20 0 FGADHM C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)cs1)c1ccccc1C(F)(F)F ZINC000820390324 606496597 /nfs/dbraw/zinc/49/65/97/606496597.db2.gz HFLCPYMKZMHBGK-MRVPVSSYSA-N -1 3 367.356 3.438 20 0 FGADHM C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)cs1)c1ccccc1C(F)(F)F ZINC000820390324 606496599 /nfs/dbraw/zinc/49/65/99/606496599.db2.gz HFLCPYMKZMHBGK-MRVPVSSYSA-N -1 3 367.356 3.438 20 0 FGADHM CC1(C)CC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)cs2)c2ccccc21 ZINC000820590053 606500606 /nfs/dbraw/zinc/50/06/06/606500606.db2.gz PXNMFIODGLDXCW-CQSZACIVSA-N -1 3 353.451 3.471 20 0 FGADHM CC1(C)CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)cs2)c2ccccc21 ZINC000820590053 606500607 /nfs/dbraw/zinc/50/06/07/606500607.db2.gz PXNMFIODGLDXCW-CQSZACIVSA-N -1 3 353.451 3.471 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N(Cc1ccc(Cl)cc1)C1CC1 ZINC000823088616 606504250 /nfs/dbraw/zinc/50/42/50/606504250.db2.gz YYKZRCKWWCMBCZ-UHFFFAOYSA-N -1 3 367.840 3.254 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N(Cc1ccc(Cl)cc1)C1CC1 ZINC000823088616 606504251 /nfs/dbraw/zinc/50/42/51/606504251.db2.gz YYKZRCKWWCMBCZ-UHFFFAOYSA-N -1 3 367.840 3.254 20 0 FGADHM Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000822212694 606511672 /nfs/dbraw/zinc/51/16/72/606511672.db2.gz COCOJBBYMNKCEU-INIZCTEOSA-N -1 3 365.437 3.141 20 0 FGADHM Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000822212694 606511674 /nfs/dbraw/zinc/51/16/74/606511674.db2.gz COCOJBBYMNKCEU-INIZCTEOSA-N -1 3 365.437 3.141 20 0 FGADHM CC1(C)CC[C@H](NC(=O)Cc2cccc(-c3nnn[n-]3)c2)c2ccccc21 ZINC000820590517 606539390 /nfs/dbraw/zinc/53/93/90/606539390.db2.gz VLXYPWWBGLLBBU-SFHVURJKSA-N -1 3 361.449 3.338 20 0 FGADHM CC1(C)CC[C@H](NC(=O)Cc2cccc(-c3nn[n-]n3)c2)c2ccccc21 ZINC000820590517 606539392 /nfs/dbraw/zinc/53/93/92/606539392.db2.gz VLXYPWWBGLLBBU-SFHVURJKSA-N -1 3 361.449 3.338 20 0 FGADHM O=C(CCc1ccccc1)OCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000822983959 606557765 /nfs/dbraw/zinc/55/77/65/606557765.db2.gz ZOARDTANNDVCNU-UHFFFAOYSA-N -1 3 374.347 3.144 20 0 FGADHM O=C(CCc1ccccc1)OCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000822983959 606557766 /nfs/dbraw/zinc/55/77/66/606557766.db2.gz ZOARDTANNDVCNU-UHFFFAOYSA-N -1 3 374.347 3.144 20 0 FGADHM CC(C)(C)c1ccc(C(=O)COC(=O)c2cc(-c3nnn[n-]3)cs2)cc1 ZINC000819957956 606561855 /nfs/dbraw/zinc/56/18/55/606561855.db2.gz FPANSFHWEIPDLJ-UHFFFAOYSA-N -1 3 370.434 3.265 20 0 FGADHM CC(C)(C)c1ccc(C(=O)COC(=O)c2cc(-c3nn[n-]n3)cs2)cc1 ZINC000819957956 606561856 /nfs/dbraw/zinc/56/18/56/606561856.db2.gz FPANSFHWEIPDLJ-UHFFFAOYSA-N -1 3 370.434 3.265 20 0 FGADHM O=C(OCc1coc(-c2cccs2)n1)c1cc(-c2nnn[n-]2)cs1 ZINC000823440550 606568438 /nfs/dbraw/zinc/56/84/38/606568438.db2.gz ZAEJOGRJZGMELZ-UHFFFAOYSA-N -1 3 359.392 3.002 20 0 FGADHM O=C(OCc1coc(-c2cccs2)n1)c1cc(-c2nn[n-]n2)cs1 ZINC000823440550 606568439 /nfs/dbraw/zinc/56/84/39/606568439.db2.gz ZAEJOGRJZGMELZ-UHFFFAOYSA-N -1 3 359.392 3.002 20 0 FGADHM CCC1(C(=O)NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)CC1 ZINC000820944344 606569166 /nfs/dbraw/zinc/56/91/66/606569166.db2.gz LKMYGVGAZNFWND-UHFFFAOYSA-N -1 3 353.451 3.402 20 0 FGADHM CCSCc1cccc(NC(=O)Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC000821461165 606573134 /nfs/dbraw/zinc/57/31/34/606573134.db2.gz LBEMSBXURUJGIJ-UHFFFAOYSA-N -1 3 353.451 3.301 20 0 FGADHM CCSCc1cccc(NC(=O)Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC000821461165 606573132 /nfs/dbraw/zinc/57/31/32/606573132.db2.gz LBEMSBXURUJGIJ-UHFFFAOYSA-N -1 3 353.451 3.301 20 0 FGADHM Cc1ccccc1CC1CN(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000822355997 606577224 /nfs/dbraw/zinc/57/72/24/606577224.db2.gz FVTAUMUILOJLSG-UHFFFAOYSA-N -1 3 366.400 3.021 20 0 FGADHM Cc1ccccc1CC1CN(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000822355997 606577226 /nfs/dbraw/zinc/57/72/26/606577226.db2.gz FVTAUMUILOJLSG-UHFFFAOYSA-N -1 3 366.400 3.021 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N1CCCC2(C1)CCCCCC2 ZINC000823087576 606578511 /nfs/dbraw/zinc/57/85/11/606578511.db2.gz UCBJMUPAKAKWJR-UHFFFAOYSA-N -1 3 353.470 3.372 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N1CCCC2(C1)CCCCCC2 ZINC000823087576 606578513 /nfs/dbraw/zinc/57/85/13/606578513.db2.gz UCBJMUPAKAKWJR-UHFFFAOYSA-N -1 3 353.470 3.372 20 0 FGADHM Cc1cc([C@@H](C)NC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)ccc1F ZINC000822191716 606579932 /nfs/dbraw/zinc/57/99/32/606579932.db2.gz PAMJBTMWAXKCQT-SNVBAGLBSA-N -1 3 358.352 3.336 20 0 FGADHM Cc1cc([C@@H](C)NC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)ccc1F ZINC000822191716 606579934 /nfs/dbraw/zinc/57/99/34/606579934.db2.gz PAMJBTMWAXKCQT-SNVBAGLBSA-N -1 3 358.352 3.336 20 0 FGADHM CO[C@H](C)c1nc(CNc2cc(-c3nnn[n-]3)c3ccccc3n2)cs1 ZINC000821675992 606594104 /nfs/dbraw/zinc/59/41/04/606594104.db2.gz YMQNWAPLQKENCT-SNVBAGLBSA-N -1 3 367.438 3.191 20 0 FGADHM CO[C@H](C)c1nc(CNc2cc(-c3nn[n-]n3)c3ccccc3n2)cs1 ZINC000821675992 606594105 /nfs/dbraw/zinc/59/41/05/606594105.db2.gz YMQNWAPLQKENCT-SNVBAGLBSA-N -1 3 367.438 3.191 20 0 FGADHM Fc1cc(F)cc(OCc2ccc(-c3nnn[n-]3)cc2OC(F)F)c1 ZINC000822754267 606595282 /nfs/dbraw/zinc/59/52/82/606595282.db2.gz YBELHRXFAPOHEU-UHFFFAOYSA-N -1 3 354.263 3.325 20 0 FGADHM Fc1cc(F)cc(OCc2ccc(-c3nn[n-]n3)cc2OC(F)F)c1 ZINC000822754267 606595283 /nfs/dbraw/zinc/59/52/83/606595283.db2.gz YBELHRXFAPOHEU-UHFFFAOYSA-N -1 3 354.263 3.325 20 0 FGADHM CC(=O)c1ccc(NCc2ccc(-c3nnn[n-]3)cc2OC(F)F)cc1 ZINC000819834139 606595984 /nfs/dbraw/zinc/59/59/84/606595984.db2.gz MLKXTJJYGQXMJB-UHFFFAOYSA-N -1 3 359.336 3.283 20 0 FGADHM CC(=O)c1ccc(NCc2ccc(-c3nn[n-]n3)cc2OC(F)F)cc1 ZINC000819834139 606595985 /nfs/dbraw/zinc/59/59/85/606595985.db2.gz MLKXTJJYGQXMJB-UHFFFAOYSA-N -1 3 359.336 3.283 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CCCC[C@H]1c1ncc[nH]1 ZINC000823303266 606598070 /nfs/dbraw/zinc/59/80/70/606598070.db2.gz FFEKFEPCIRRTNM-ZDUSSCGKSA-N -1 3 372.820 3.002 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CCCC[C@H]1c1ncc[nH]1 ZINC000823303266 606598071 /nfs/dbraw/zinc/59/80/71/606598071.db2.gz FFEKFEPCIRRTNM-ZDUSSCGKSA-N -1 3 372.820 3.002 20 0 FGADHM COc1ccc([C@H](C)CC(=O)N(C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821777573 606628584 /nfs/dbraw/zinc/62/85/84/606628584.db2.gz IIMLWJZIHVONFO-CYBMUJFWSA-N -1 3 351.410 3.032 20 0 FGADHM COc1ccc([C@H](C)CC(=O)N(C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821777573 606628586 /nfs/dbraw/zinc/62/85/86/606628586.db2.gz IIMLWJZIHVONFO-CYBMUJFWSA-N -1 3 351.410 3.032 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H](C)c1ccc(Cl)s1 ZINC000821756571 606630317 /nfs/dbraw/zinc/63/03/17/606630317.db2.gz PQDRYQFYFCNCPS-QMMMGPOBSA-N -1 3 363.830 3.332 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H](C)c1ccc(Cl)s1 ZINC000821756571 606630319 /nfs/dbraw/zinc/63/03/19/606630319.db2.gz PQDRYQFYFCNCPS-QMMMGPOBSA-N -1 3 363.830 3.332 20 0 FGADHM Cc1nc(Cl)sc1C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000822449800 606645790 /nfs/dbraw/zinc/64/57/90/606645790.db2.gz PJRSWQARQUDEOU-UHFFFAOYSA-N -1 3 366.859 3.088 20 0 FGADHM Cc1nc(Cl)sc1C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000822449800 606645791 /nfs/dbraw/zinc/64/57/91/606645791.db2.gz PJRSWQARQUDEOU-UHFFFAOYSA-N -1 3 366.859 3.088 20 0 FGADHM C[C@H](c1ccco1)N(C(=O)NCc1ccc(-c2nnn[n-]2)cc1F)C1CC1 ZINC000820570293 606657926 /nfs/dbraw/zinc/65/79/26/606657926.db2.gz GLIKUTUPZFXPRO-LLVKDONJSA-N -1 3 370.388 3.034 20 0 FGADHM C[C@H](c1ccco1)N(C(=O)NCc1ccc(-c2nn[n-]n2)cc1F)C1CC1 ZINC000820570293 606657927 /nfs/dbraw/zinc/65/79/27/606657927.db2.gz GLIKUTUPZFXPRO-LLVKDONJSA-N -1 3 370.388 3.034 20 0 FGADHM C[C@@H](c1ccco1)N(C(=O)NCc1ccc(-c2nnn[n-]2)cc1F)C1CC1 ZINC000820570294 606658077 /nfs/dbraw/zinc/65/80/77/606658077.db2.gz GLIKUTUPZFXPRO-NSHDSACASA-N -1 3 370.388 3.034 20 0 FGADHM C[C@@H](c1ccco1)N(C(=O)NCc1ccc(-c2nn[n-]n2)cc1F)C1CC1 ZINC000820570294 606658078 /nfs/dbraw/zinc/65/80/78/606658078.db2.gz GLIKUTUPZFXPRO-NSHDSACASA-N -1 3 370.388 3.034 20 0 FGADHM CN(C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1nc2ccccc2s1 ZINC000821571955 606668488 /nfs/dbraw/zinc/66/84/88/606668488.db2.gz MHVZKNGGICIIIG-UHFFFAOYSA-N -1 3 372.360 3.031 20 0 FGADHM CN(C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1nc2ccccc2s1 ZINC000821571955 606668489 /nfs/dbraw/zinc/66/84/89/606668489.db2.gz MHVZKNGGICIIIG-UHFFFAOYSA-N -1 3 372.360 3.031 20 0 FGADHM O=C(c1c(F)cc(-c2nnn[n-]2)cc1F)N(Cc1cccc(F)c1)C1CC1 ZINC000823453963 606669829 /nfs/dbraw/zinc/66/98/29/606669829.db2.gz GZQNSPQXQDVPAS-UHFFFAOYSA-N -1 3 373.338 3.089 20 0 FGADHM O=C(c1c(F)cc(-c2nn[n-]n2)cc1F)N(Cc1cccc(F)c1)C1CC1 ZINC000823453963 606669830 /nfs/dbraw/zinc/66/98/30/606669830.db2.gz GZQNSPQXQDVPAS-UHFFFAOYSA-N -1 3 373.338 3.089 20 0 FGADHM COC[C@@H](C)CC(=O)N(Cc1ccccc1)c1ccccc1-c1nnn[n-]1 ZINC000821681598 606671183 /nfs/dbraw/zinc/67/11/83/606671183.db2.gz OGKUSQCRGKWTQM-HNNXBMFYSA-N -1 3 365.437 3.073 20 0 FGADHM COC[C@@H](C)CC(=O)N(Cc1ccccc1)c1ccccc1-c1nn[n-]n1 ZINC000821681598 606671184 /nfs/dbraw/zinc/67/11/84/606671184.db2.gz OGKUSQCRGKWTQM-HNNXBMFYSA-N -1 3 365.437 3.073 20 0 FGADHM C[C@H](CSc1ccc(F)cc1)C(=O)N(C)c1cccc(-c2nnn[n-]2)c1 ZINC000820295146 606673392 /nfs/dbraw/zinc/67/33/92/606673392.db2.gz ZJUXCDGFVWMSTK-GFCCVEGCSA-N -1 3 371.441 3.397 20 0 FGADHM C[C@H](CSc1ccc(F)cc1)C(=O)N(C)c1cccc(-c2nn[n-]n2)c1 ZINC000820295146 606673393 /nfs/dbraw/zinc/67/33/93/606673393.db2.gz ZJUXCDGFVWMSTK-GFCCVEGCSA-N -1 3 371.441 3.397 20 0 FGADHM Cc1cc(OC(C)C)ccc1NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000822210539 606674037 /nfs/dbraw/zinc/67/40/37/606674037.db2.gz GTKHKAZYHFFLQL-UHFFFAOYSA-N -1 3 373.363 3.493 20 0 FGADHM Cc1cc(OC(C)C)ccc1NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000822210539 606674038 /nfs/dbraw/zinc/67/40/38/606674038.db2.gz GTKHKAZYHFFLQL-UHFFFAOYSA-N -1 3 373.363 3.493 20 0 FGADHM O=C(C=C1CCC1)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000822918017 606682022 /nfs/dbraw/zinc/68/20/22/606682022.db2.gz XRHNGICPBJBTPG-UHFFFAOYSA-N -1 3 351.435 3.322 20 0 FGADHM CC(C)(C)c1cnc(NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)s1 ZINC000819966111 606682944 /nfs/dbraw/zinc/68/29/44/606682944.db2.gz WSXCBURJHMPQGK-UHFFFAOYSA-N -1 3 364.381 3.151 20 0 FGADHM CC(C)(C)c1cnc(NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)s1 ZINC000819966111 606682945 /nfs/dbraw/zinc/68/29/45/606682945.db2.gz WSXCBURJHMPQGK-UHFFFAOYSA-N -1 3 364.381 3.151 20 0 FGADHM C[C@]1(c2ccccc2)CCN(C(=S)Nc2ccccc2-c2nnn[n-]2)C1 ZINC000820635207 606694563 /nfs/dbraw/zinc/69/45/63/606694563.db2.gz KGLFEQVSWZKCBG-IBGZPJMESA-N -1 3 364.478 3.227 20 0 FGADHM C[C@]1(c2ccccc2)CCN(C(=S)Nc2ccccc2-c2nn[n-]n2)C1 ZINC000820635207 606694564 /nfs/dbraw/zinc/69/45/64/606694564.db2.gz KGLFEQVSWZKCBG-IBGZPJMESA-N -1 3 364.478 3.227 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NCc1nnc(-c2cccc(Cl)c2)o1 ZINC000822221465 606703218 /nfs/dbraw/zinc/70/32/18/606703218.db2.gz PLNPJDHPKWTAOH-UHFFFAOYSA-N -1 3 367.800 3.491 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NCc1nnc(-c2cccc(Cl)c2)o1 ZINC000822221465 606703220 /nfs/dbraw/zinc/70/32/20/606703220.db2.gz PLNPJDHPKWTAOH-UHFFFAOYSA-N -1 3 367.800 3.491 20 0 FGADHM CC(C)Sc1ccccc1NCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000820183648 606708273 /nfs/dbraw/zinc/70/82/73/606708273.db2.gz HVCCRLDLFYDCRT-UHFFFAOYSA-N -1 3 368.466 3.418 20 0 FGADHM CC(C)Sc1ccccc1NCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000820183648 606708274 /nfs/dbraw/zinc/70/82/74/606708274.db2.gz HVCCRLDLFYDCRT-UHFFFAOYSA-N -1 3 368.466 3.418 20 0 FGADHM COCC[C@@H](C)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000821685352 606712278 /nfs/dbraw/zinc/71/22/78/606712278.db2.gz AQJFBLRORCLFQD-CYBMUJFWSA-N -1 3 371.416 3.422 20 0 FGADHM COCC[C@@H](C)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000821685352 606712279 /nfs/dbraw/zinc/71/22/79/606712279.db2.gz AQJFBLRORCLFQD-CYBMUJFWSA-N -1 3 371.416 3.422 20 0 FGADHM C[C@H](Nc1cccc(F)c1-c1nnn[n-]1)c1noc(-c2ccccc2)n1 ZINC000820461399 606725572 /nfs/dbraw/zinc/72/55/72/606725572.db2.gz JJLBCPIZGXSJIM-JTQLQIEISA-N -1 3 351.345 3.229 20 0 FGADHM C[C@H](Nc1cccc(F)c1-c1nn[n-]n1)c1noc(-c2ccccc2)n1 ZINC000820461399 606725573 /nfs/dbraw/zinc/72/55/73/606725573.db2.gz JJLBCPIZGXSJIM-JTQLQIEISA-N -1 3 351.345 3.229 20 0 FGADHM FC(F)(F)c1ccc(N[C@@H]2CCC[C@H]3OCC[C@@H]32)c(-c2nnn[n-]2)c1 ZINC000822723612 606727650 /nfs/dbraw/zinc/72/76/50/606727650.db2.gz HUFKTTWGHROWRL-MPKXVKKWSA-N -1 3 353.348 3.255 20 0 FGADHM FC(F)(F)c1ccc(N[C@@H]2CCC[C@H]3OCC[C@@H]32)c(-c2nn[n-]n2)c1 ZINC000822723612 606727651 /nfs/dbraw/zinc/72/76/51/606727651.db2.gz HUFKTTWGHROWRL-MPKXVKKWSA-N -1 3 353.348 3.255 20 0 FGADHM Fc1cc(F)c2ncc(-c3nnn[n-]3)c(N[C@@H]3CCC[C@@H]4OCC[C@H]43)c2c1 ZINC000822753151 606730147 /nfs/dbraw/zinc/73/01/47/606730147.db2.gz GQXLPRGOZANMNL-VQISRLSMSA-N -1 3 372.379 3.063 20 0 FGADHM Fc1cc(F)c2ncc(-c3nn[n-]n3)c(N[C@@H]3CCC[C@@H]4OCC[C@H]43)c2c1 ZINC000822753151 606730148 /nfs/dbraw/zinc/73/01/48/606730148.db2.gz GQXLPRGOZANMNL-VQISRLSMSA-N -1 3 372.379 3.063 20 0 FGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cccc(C(C)C)n1 ZINC000820151033 606799467 /nfs/dbraw/zinc/79/94/67/606799467.db2.gz AMRCXSPJUFQPQA-UHFFFAOYSA-N -1 3 366.425 3.425 20 0 FGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cccc(C(C)C)n1 ZINC000820151033 606799468 /nfs/dbraw/zinc/79/94/68/606799468.db2.gz AMRCXSPJUFQPQA-UHFFFAOYSA-N -1 3 366.425 3.425 20 0 FGADHM O=C(Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)[C@H]1CCSC1 ZINC000823350473 606803710 /nfs/dbraw/zinc/80/37/10/606803710.db2.gz OIVOXEHRTSDQRX-ZDUSSCGKSA-N -1 3 367.434 3.351 20 0 FGADHM O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)[C@H]1CCSC1 ZINC000823350473 606803711 /nfs/dbraw/zinc/80/37/11/606803711.db2.gz OIVOXEHRTSDQRX-ZDUSSCGKSA-N -1 3 367.434 3.351 20 0 FGADHM Cc1ccc(Cl)c(NC(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)c1 ZINC000822239939 606809734 /nfs/dbraw/zinc/80/97/34/606809734.db2.gz LHUCFPXJSCCYJU-LLVKDONJSA-N -1 3 357.801 3.235 20 0 FGADHM Cc1ccc(Cl)c(NC(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)c1 ZINC000822239939 606809735 /nfs/dbraw/zinc/80/97/35/606809735.db2.gz LHUCFPXJSCCYJU-LLVKDONJSA-N -1 3 357.801 3.235 20 0 FGADHM CC(=O)c1ccc(C)cc1OCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000819835750 606837171 /nfs/dbraw/zinc/83/71/71/606837171.db2.gz ZNLDRSUVHIFWPP-UHFFFAOYSA-N -1 3 352.394 3.226 20 0 FGADHM CC(=O)c1ccc(C)cc1OCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000819835750 606837172 /nfs/dbraw/zinc/83/71/72/606837172.db2.gz ZNLDRSUVHIFWPP-UHFFFAOYSA-N -1 3 352.394 3.226 20 0 FGADHM C[C@H](SCCCOc1cccc(-c2nnn[n-]2)c1)C(=O)OC(C)(C)C ZINC000820549034 606842377 /nfs/dbraw/zinc/84/23/77/606842377.db2.gz JEZQNXZKNGGRHN-LBPRGKRZSA-N -1 3 364.471 3.099 20 0 FGADHM C[C@H](SCCCOc1cccc(-c2nn[n-]n2)c1)C(=O)OC(C)(C)C ZINC000820549034 606842378 /nfs/dbraw/zinc/84/23/78/606842378.db2.gz JEZQNXZKNGGRHN-LBPRGKRZSA-N -1 3 364.471 3.099 20 0 FGADHM C[C@H](Sc1ccc(-c2nnn[n-]2)cc1Cl)C(=O)N1CCC(C)CC1 ZINC000820717828 606851361 /nfs/dbraw/zinc/85/13/61/606851361.db2.gz XLUKCLYUFZBZHX-NSHDSACASA-N -1 3 365.890 3.259 20 0 FGADHM C[C@H](Sc1ccc(-c2nn[n-]n2)cc1Cl)C(=O)N1CCC(C)CC1 ZINC000820717828 606851363 /nfs/dbraw/zinc/85/13/63/606851363.db2.gz XLUKCLYUFZBZHX-NSHDSACASA-N -1 3 365.890 3.259 20 0 FGADHM c1nc2cc(NCCCOc3cccc(-c4nnn[n-]4)c3)ccc2s1 ZINC000823762007 606864711 /nfs/dbraw/zinc/86/47/11/606864711.db2.gz DOZAACNFGSIQGV-UHFFFAOYSA-N -1 3 352.423 3.357 20 0 FGADHM c1nc2cc(NCCCOc3cccc(-c4nn[n-]n4)c3)ccc2s1 ZINC000823762007 606864713 /nfs/dbraw/zinc/86/47/13/606864713.db2.gz DOZAACNFGSIQGV-UHFFFAOYSA-N -1 3 352.423 3.357 20 0 FGADHM FC1(F)CC[C@H](Nc2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)C1 ZINC000822736602 606881506 /nfs/dbraw/zinc/88/15/06/606881506.db2.gz ICLGUUBMQQWARG-VIFPVBQESA-N -1 3 350.760 3.090 20 0 FGADHM FC1(F)CC[C@H](Nc2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)C1 ZINC000822736602 606881508 /nfs/dbraw/zinc/88/15/08/606881508.db2.gz ICLGUUBMQQWARG-VIFPVBQESA-N -1 3 350.760 3.090 20 0 FGADHM COC(=O)c1occc1CSc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821671412 606902800 /nfs/dbraw/zinc/90/28/00/606902800.db2.gz VDWXGBAHYSCTPT-UHFFFAOYSA-N -1 3 350.787 3.192 20 0 FGADHM COC(=O)c1occc1CSc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821671412 606902802 /nfs/dbraw/zinc/90/28/02/606902802.db2.gz VDWXGBAHYSCTPT-UHFFFAOYSA-N -1 3 350.787 3.192 20 0 FGADHM O[C@H](CNc1ccc(C(F)(F)F)cc1-c1nnn[n-]1)c1ccccc1F ZINC000823689321 606911876 /nfs/dbraw/zinc/91/18/76/606911876.db2.gz DRGQGCMMDVGGEB-CQSZACIVSA-N -1 3 367.306 3.170 20 0 FGADHM O[C@H](CNc1ccc(C(F)(F)F)cc1-c1nn[n-]n1)c1ccccc1F ZINC000823689321 606911878 /nfs/dbraw/zinc/91/18/78/606911878.db2.gz DRGQGCMMDVGGEB-CQSZACIVSA-N -1 3 367.306 3.170 20 0 FGADHM C[C@@H]1CCN(C[C@H](O)c2ccc(-c3nnn[n-]3)cc2)c2ccccc2S1 ZINC000820722035 606918498 /nfs/dbraw/zinc/91/84/98/606918498.db2.gz CUZSSGPUBCTPPK-DYVFJYSZSA-N -1 3 367.478 3.291 20 0 FGADHM C[C@@H]1CCN(C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)c2ccccc2S1 ZINC000820722035 606918500 /nfs/dbraw/zinc/91/85/00/606918500.db2.gz CUZSSGPUBCTPPK-DYVFJYSZSA-N -1 3 367.478 3.291 20 0 FGADHM CC(C)c1ccc(N(C)C(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000820518847 606936159 /nfs/dbraw/zinc/93/61/59/606936159.db2.gz LXQPNAWDMDCBLK-CQSZACIVSA-N -1 3 365.437 3.420 20 0 FGADHM O=C(N[C@H]1CCC(F)(F)C1)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000823145698 606944171 /nfs/dbraw/zinc/94/41/71/606944171.db2.gz SJAKSLBUZWNYBP-LBPRGKRZSA-N -1 3 369.375 3.451 20 0 FGADHM O=C(N[C@H]1CCC(F)(F)C1)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000823145698 606944172 /nfs/dbraw/zinc/94/41/72/606944172.db2.gz SJAKSLBUZWNYBP-LBPRGKRZSA-N -1 3 369.375 3.451 20 0 FGADHM CCc1c(C)sc(NC(=O)c2ccn(C3CCCC3)n2)c1-c1nnn[n-]1 ZINC000821465984 606957454 /nfs/dbraw/zinc/95/74/54/606957454.db2.gz SWBLMBOSZLYZLX-UHFFFAOYSA-N -1 3 371.470 3.363 20 0 FGADHM CCc1c(C)sc(NC(=O)c2ccn(C3CCCC3)n2)c1-c1nn[n-]n1 ZINC000821465984 606957455 /nfs/dbraw/zinc/95/74/55/606957455.db2.gz SWBLMBOSZLYZLX-UHFFFAOYSA-N -1 3 371.470 3.363 20 0 FGADHM CCCCSCCC(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821077547 606964285 /nfs/dbraw/zinc/96/42/85/606964285.db2.gz KXONUVNEPAMLQY-UHFFFAOYSA-N -1 3 353.879 3.406 20 0 FGADHM CCCCSCCC(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821077547 606964287 /nfs/dbraw/zinc/96/42/87/606964287.db2.gz KXONUVNEPAMLQY-UHFFFAOYSA-N -1 3 353.879 3.406 20 0 FGADHM C[C@@H]1CO[C@@H](c2ccccc2)[C@H](C)N1Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820803903 606972089 /nfs/dbraw/zinc/97/20/89/606972089.db2.gz JLWAEENLHYQTTR-BIENJYKASA-N -1 3 367.428 3.356 20 0 FGADHM C[C@@H]1CO[C@@H](c2ccccc2)[C@H](C)N1Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820803903 606972090 /nfs/dbraw/zinc/97/20/90/606972090.db2.gz JLWAEENLHYQTTR-BIENJYKASA-N -1 3 367.428 3.356 20 0 FGADHM CC=C(C=CC(=O)NCCSCc1ccccc1-c1nnn[n-]1)CC ZINC000820827788 606984094 /nfs/dbraw/zinc/98/40/94/606984094.db2.gz XVFYSGNDTVZKOF-JXPHJQCQSA-N -1 3 357.483 3.129 20 0 FGADHM CC=C(C=CC(=O)NCCSCc1ccccc1-c1nn[n-]n1)CC ZINC000820827788 606984095 /nfs/dbraw/zinc/98/40/95/606984095.db2.gz XVFYSGNDTVZKOF-JXPHJQCQSA-N -1 3 357.483 3.129 20 0 FGADHM Cc1ccccc1[C@H](C)SCC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000822345740 606989391 /nfs/dbraw/zinc/98/93/91/606989391.db2.gz QHRFULTZYJBSBR-AWEZNQCLSA-N -1 3 367.478 3.286 20 0 FGADHM Cc1ccccc1[C@H](C)SCC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000822345740 606989393 /nfs/dbraw/zinc/98/93/93/606989393.db2.gz QHRFULTZYJBSBR-AWEZNQCLSA-N -1 3 367.478 3.286 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000823421645 606996041 /nfs/dbraw/zinc/99/60/41/606996041.db2.gz FNRRSGGOOPJUGM-GHMZBOCLSA-N -1 3 372.322 3.418 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000823421645 606996043 /nfs/dbraw/zinc/99/60/43/606996043.db2.gz FNRRSGGOOPJUGM-GHMZBOCLSA-N -1 3 372.322 3.418 20 0 FGADHM Cc1ccccc1-n1cnnc1SCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822345993 607005629 /nfs/dbraw/zinc/00/56/29/607005629.db2.gz ZBOWUKAGGQOGGQ-UHFFFAOYSA-N -1 3 367.413 3.187 20 0 FGADHM Cc1ccccc1-n1cnnc1SCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822345993 607005631 /nfs/dbraw/zinc/00/56/31/607005631.db2.gz ZBOWUKAGGQOGGQ-UHFFFAOYSA-N -1 3 367.413 3.187 20 0 FGADHM CCc1cccc(C)c1NC(=O)CSc1cccc(-c2nnn[n-]2)c1 ZINC000821492296 607014967 /nfs/dbraw/zinc/01/49/67/607014967.db2.gz KTJZSNJDLQBOHQ-UHFFFAOYSA-N -1 3 353.451 3.468 20 0 FGADHM CCc1cccc(C)c1NC(=O)CSc1cccc(-c2nn[n-]n2)c1 ZINC000821492296 607014969 /nfs/dbraw/zinc/01/49/69/607014969.db2.gz KTJZSNJDLQBOHQ-UHFFFAOYSA-N -1 3 353.451 3.468 20 0 FGADHM Fc1cccc(N2CC(c3nc4ccccc4s3)C2)c1-c1nnn[n-]1 ZINC000822792432 607019508 /nfs/dbraw/zinc/01/95/08/607019508.db2.gz WEVQUJLBKAHNBL-UHFFFAOYSA-N -1 3 352.398 3.219 20 0 FGADHM Fc1cccc(N2CC(c3nc4ccccc4s3)C2)c1-c1nn[n-]n1 ZINC000822792432 607019509 /nfs/dbraw/zinc/01/95/09/607019509.db2.gz WEVQUJLBKAHNBL-UHFFFAOYSA-N -1 3 352.398 3.219 20 0 FGADHM CCOC(=O)CCCCCSCc1cc(F)ccc1-c1nnn[n-]1 ZINC000821326196 607034602 /nfs/dbraw/zinc/03/46/02/607034602.db2.gz UVZQOJCUXLKRNC-UHFFFAOYSA-N -1 3 352.435 3.363 20 0 FGADHM CCOC(=O)CCCCCSCc1cc(F)ccc1-c1nn[n-]n1 ZINC000821326196 607034603 /nfs/dbraw/zinc/03/46/03/607034603.db2.gz UVZQOJCUXLKRNC-UHFFFAOYSA-N -1 3 352.435 3.363 20 0 FGADHM COC(=O)c1ccc(OCc2cc(F)ccc2-c2nnn[n-]2)c(Cl)c1 ZINC000821669352 607037326 /nfs/dbraw/zinc/03/73/26/607037326.db2.gz HQPFTWFBUVAXQI-UHFFFAOYSA-N -1 3 362.748 3.025 20 0 FGADHM COC(=O)c1ccc(OCc2cc(F)ccc2-c2nn[n-]n2)c(Cl)c1 ZINC000821669352 607037328 /nfs/dbraw/zinc/03/73/28/607037328.db2.gz HQPFTWFBUVAXQI-UHFFFAOYSA-N -1 3 362.748 3.025 20 0 FGADHM CCSc1nnc(SCc2cc(F)ccc2-c2nnn[n-]2)s1 ZINC000821461510 607037549 /nfs/dbraw/zinc/03/75/49/607037549.db2.gz PWRASMKHVWRLGK-UHFFFAOYSA-N -1 3 354.461 3.262 20 0 FGADHM CCSc1nnc(SCc2cc(F)ccc2-c2nn[n-]n2)s1 ZINC000821461510 607037550 /nfs/dbraw/zinc/03/75/50/607037550.db2.gz PWRASMKHVWRLGK-UHFFFAOYSA-N -1 3 354.461 3.262 20 0 FGADHM Brc1ccc(OCc2nc3ccccc3o2)c(-c2nnn[n-]2)c1 ZINC000819688672 607040718 /nfs/dbraw/zinc/04/07/18/607040718.db2.gz LXRURKJWFLKEFS-UHFFFAOYSA-N -1 3 372.182 3.349 20 0 FGADHM Brc1ccc(OCc2nc3ccccc3o2)c(-c2nn[n-]n2)c1 ZINC000819688672 607040720 /nfs/dbraw/zinc/04/07/20/607040720.db2.gz LXRURKJWFLKEFS-UHFFFAOYSA-N -1 3 372.182 3.349 20 0 FGADHM CC(C)CO[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2C(F)(F)F)C1 ZINC000820098371 607044424 /nfs/dbraw/zinc/04/44/24/607044424.db2.gz XILAHEBFMWZIFN-LBPRGKRZSA-N -1 3 355.364 3.137 20 0 FGADHM Fc1ccc(-c2nnn[n-]2)c(CN2CCn3cccc3[C@@H]2c2ccccc2)c1 ZINC000822758789 607059445 /nfs/dbraw/zinc/05/94/45/607059445.db2.gz YQXCLOZZPCHWMU-FQEVSTJZSA-N -1 3 374.423 3.413 20 0 FGADHM Fc1ccc(-c2nn[n-]n2)c(CN2CCn3cccc3[C@@H]2c2ccccc2)c1 ZINC000822758789 607059448 /nfs/dbraw/zinc/05/94/48/607059448.db2.gz YQXCLOZZPCHWMU-FQEVSTJZSA-N -1 3 374.423 3.413 20 0 FGADHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)C1(c2cccc(F)c2)CCC1 ZINC000823413108 607076498 /nfs/dbraw/zinc/07/64/98/607076498.db2.gz ALDHNQNGXNNEHT-UHFFFAOYSA-N -1 3 370.359 3.310 20 0 FGADHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)C1(c2cccc(F)c2)CCC1 ZINC000823413108 607076500 /nfs/dbraw/zinc/07/65/00/607076500.db2.gz ALDHNQNGXNNEHT-UHFFFAOYSA-N -1 3 370.359 3.310 20 0 FGADHM COc1ccccc1C(C)(C)C(=O)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000821883187 607080718 /nfs/dbraw/zinc/08/07/18/607080718.db2.gz RVLXVAVLYKXPGO-UHFFFAOYSA-N -1 3 370.384 3.035 20 0 FGADHM COc1ccccc1C(C)(C)C(=O)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000821883187 607080719 /nfs/dbraw/zinc/08/07/19/607080719.db2.gz RVLXVAVLYKXPGO-UHFFFAOYSA-N -1 3 370.384 3.035 20 0 FGADHM O=C(O[C@H](Cc1ccccc1)c1cccnc1)c1cccc(-c2nnn[n-]2)c1 ZINC000823392197 607094348 /nfs/dbraw/zinc/09/43/48/607094348.db2.gz NCBAHPRAWQRCIW-LJQANCHMSA-N -1 3 371.400 3.403 20 0 FGADHM O=C(O[C@H](Cc1ccccc1)c1cccnc1)c1cccc(-c2nn[n-]n2)c1 ZINC000823392197 607094349 /nfs/dbraw/zinc/09/43/49/607094349.db2.gz NCBAHPRAWQRCIW-LJQANCHMSA-N -1 3 371.400 3.403 20 0 FGADHM COc1ccc(C(C)(C)C(=O)OCc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000821772773 607116723 /nfs/dbraw/zinc/11/67/23/607116723.db2.gz OZWFMNDPWCNTRW-UHFFFAOYSA-N -1 3 370.384 3.035 20 0 FGADHM COc1ccc(C(C)(C)C(=O)OCc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000821772773 607116725 /nfs/dbraw/zinc/11/67/25/607116725.db2.gz OZWFMNDPWCNTRW-UHFFFAOYSA-N -1 3 370.384 3.035 20 0 FGADHM Fc1ccc(OC(F)F)c(NCc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000822783056 607126291 /nfs/dbraw/zinc/12/62/91/607126291.db2.gz SQBWCPGYZKRREI-UHFFFAOYSA-N -1 3 353.279 3.358 20 0 FGADHM Fc1ccc(OC(F)F)c(NCc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000822783056 607126293 /nfs/dbraw/zinc/12/62/93/607126293.db2.gz SQBWCPGYZKRREI-UHFFFAOYSA-N -1 3 353.279 3.358 20 0 FGADHM Fc1ccc2c(c1F)CN(c1cc(-c3nnn[n-]3)c3ccccc3n1)CC2 ZINC000822786230 607131076 /nfs/dbraw/zinc/13/10/76/607131076.db2.gz FMUBOUCIERHVPH-UHFFFAOYSA-N -1 3 364.359 3.256 20 0 FGADHM Fc1ccc2c(c1F)CN(c1cc(-c3nn[n-]n3)c3ccccc3n1)CC2 ZINC000822786230 607131077 /nfs/dbraw/zinc/13/10/77/607131077.db2.gz FMUBOUCIERHVPH-UHFFFAOYSA-N -1 3 364.359 3.256 20 0 FGADHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1N[C@H]1CCOC2(CCC2)C1 ZINC000822718523 607133215 /nfs/dbraw/zinc/13/32/15/607133215.db2.gz LNSYEYZTJXKSFY-NSHDSACASA-N -1 3 353.348 3.399 20 0 FGADHM C[C@H](NC(=O)Nc1cccc(OCCF)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820380465 607138962 /nfs/dbraw/zinc/13/89/62/607138962.db2.gz UFWTXAANGAAEBG-LBPRGKRZSA-N -1 3 370.388 3.098 20 0 FGADHM C[C@H](NC(=O)Nc1cccc(OCCF)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820380465 607138963 /nfs/dbraw/zinc/13/89/63/607138963.db2.gz UFWTXAANGAAEBG-LBPRGKRZSA-N -1 3 370.388 3.098 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H](C)OC1CCCCCC1 ZINC000821401583 607156881 /nfs/dbraw/zinc/15/68/81/607156881.db2.gz XPXQUJKWEXNZJP-ZDUSSCGKSA-N -1 3 373.457 3.332 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H](C)OC1CCCCCC1 ZINC000821401583 607156882 /nfs/dbraw/zinc/15/68/82/607156882.db2.gz XPXQUJKWEXNZJP-ZDUSSCGKSA-N -1 3 373.457 3.332 20 0 FGADHM CCC[C@H](C)[C@@H]1CCCN1C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000821015690 607164308 /nfs/dbraw/zinc/16/43/08/607164308.db2.gz SLJAIXGIGJORCT-BBRMVZONSA-N -1 3 359.499 3.386 20 0 FGADHM CCC[C@H](C)[C@@H]1CCCN1C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000821015690 607164312 /nfs/dbraw/zinc/16/43/12/607164312.db2.gz SLJAIXGIGJORCT-BBRMVZONSA-N -1 3 359.499 3.386 20 0 FGADHM Fc1cc(-c2nnn[n-]2)ccc1OCc1nc2ccccc2n1C(F)F ZINC000822747977 607170689 /nfs/dbraw/zinc/17/06/89/607170689.db2.gz ASVLKYRFAASGFU-UHFFFAOYSA-N -1 3 360.299 3.330 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1OCc1nc2ccccc2n1C(F)F ZINC000822747977 607170690 /nfs/dbraw/zinc/17/06/90/607170690.db2.gz ASVLKYRFAASGFU-UHFFFAOYSA-N -1 3 360.299 3.330 20 0 FGADHM CCC[C@@H](NC(=O)COc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000821023348 607171479 /nfs/dbraw/zinc/17/14/79/607171479.db2.gz YDFOZLFDENUOBK-MRXNPFEDSA-N -1 3 369.400 3.042 20 0 FGADHM CCC[C@@H](NC(=O)COc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000821023348 607171480 /nfs/dbraw/zinc/17/14/80/607171480.db2.gz YDFOZLFDENUOBK-MRXNPFEDSA-N -1 3 369.400 3.042 20 0 FGADHM CCC(=O)Nc1cccc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000820838064 607190746 /nfs/dbraw/zinc/19/07/46/607190746.db2.gz PGWWTSWGMKHZGZ-UHFFFAOYSA-N -1 3 370.800 3.121 20 0 FGADHM CCC(=O)Nc1cccc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000820838064 607190747 /nfs/dbraw/zinc/19/07/47/607190747.db2.gz PGWWTSWGMKHZGZ-UHFFFAOYSA-N -1 3 370.800 3.121 20 0 FGADHM Cc1cccc2[nH]cc(CC(=O)Nc3ccc(-c4nnn[n-]4)cc3Cl)c21 ZINC000822331623 607191092 /nfs/dbraw/zinc/19/10/92/607191092.db2.gz INSNFEVNYXLTMU-UHFFFAOYSA-N -1 3 366.812 3.491 20 0 FGADHM Cc1cccc2[nH]cc(CC(=O)Nc3ccc(-c4nn[n-]n4)cc3Cl)c21 ZINC000822331623 607191093 /nfs/dbraw/zinc/19/10/93/607191093.db2.gz INSNFEVNYXLTMU-UHFFFAOYSA-N -1 3 366.812 3.491 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1ccc(OC(F)F)cc1 ZINC000823319639 607192124 /nfs/dbraw/zinc/19/21/24/607192124.db2.gz WWRBPEVRICNHLL-UHFFFAOYSA-N -1 3 365.727 3.374 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1ccc(OC(F)F)cc1 ZINC000823319639 607192125 /nfs/dbraw/zinc/19/21/25/607192125.db2.gz WWRBPEVRICNHLL-UHFFFAOYSA-N -1 3 365.727 3.374 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N1CCc2ccccc2CC1 ZINC000823318896 607197093 /nfs/dbraw/zinc/19/70/93/607197093.db2.gz NFKPOEGSAAAPHI-UHFFFAOYSA-N -1 3 368.828 3.153 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N1CCc2ccccc2CC1 ZINC000823318896 607197094 /nfs/dbraw/zinc/19/70/94/607197094.db2.gz NFKPOEGSAAAPHI-UHFFFAOYSA-N -1 3 368.828 3.153 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N[C@@H]1CCc2ccccc2C1 ZINC000823318340 607199737 /nfs/dbraw/zinc/19/97/37/607199737.db2.gz CNCAVPZXDDQQCL-CQSZACIVSA-N -1 3 368.828 3.199 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N[C@@H]1CCc2ccccc2C1 ZINC000823318340 607199738 /nfs/dbraw/zinc/19/97/38/607199738.db2.gz CNCAVPZXDDQQCL-CQSZACIVSA-N -1 3 368.828 3.199 20 0 FGADHM C[C@H](NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)c1cccc(O)c1 ZINC000820374941 607200665 /nfs/dbraw/zinc/20/06/65/607200665.db2.gz UFAJDGHVLYAVRF-VIFPVBQESA-N -1 3 358.789 3.108 20 0 FGADHM C[C@H](NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)c1cccc(O)c1 ZINC000820374941 607200666 /nfs/dbraw/zinc/20/06/66/607200666.db2.gz UFAJDGHVLYAVRF-VIFPVBQESA-N -1 3 358.789 3.108 20 0 FGADHM O=C(COC/C=C\c1ccccc1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823032131 607243953 /nfs/dbraw/zinc/24/39/53/607243953.db2.gz OGOSNBTZTIKPMJ-DAXSKMNVSA-N -1 3 369.812 3.189 20 0 FGADHM O=C(COC/C=C\c1ccccc1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823032131 607243954 /nfs/dbraw/zinc/24/39/54/607243954.db2.gz OGOSNBTZTIKPMJ-DAXSKMNVSA-N -1 3 369.812 3.189 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)[C@@H]1CSc2ccccc21 ZINC000823313422 607244173 /nfs/dbraw/zinc/24/41/73/607244173.db2.gz AIUBPHSPDCYEHI-LLVKDONJSA-N -1 3 357.826 3.348 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)[C@@H]1CSc2ccccc21 ZINC000823313422 607244174 /nfs/dbraw/zinc/24/41/74/607244174.db2.gz AIUBPHSPDCYEHI-LLVKDONJSA-N -1 3 357.826 3.348 20 0 FGADHM CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000820938185 607246961 /nfs/dbraw/zinc/24/69/61/607246961.db2.gz HHSNRNPPOPKASE-WHOFXGATSA-N -1 3 362.405 3.285 20 0 FGADHM CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000820938185 607246962 /nfs/dbraw/zinc/24/69/62/607246962.db2.gz HHSNRNPPOPKASE-WHOFXGATSA-N -1 3 362.405 3.285 20 0 FGADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)[C@@H]1SCCc2sccc21 ZINC000823450220 607248460 /nfs/dbraw/zinc/24/84/60/607248460.db2.gz KLFJAJBJXNUOAJ-CYBMUJFWSA-N -1 3 362.411 3.003 20 0 FGADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)[C@@H]1SCCc2sccc21 ZINC000823450220 607248461 /nfs/dbraw/zinc/24/84/61/607248461.db2.gz KLFJAJBJXNUOAJ-CYBMUJFWSA-N -1 3 362.411 3.003 20 0 FGADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)c1cncc(-c2ccccc2)c1 ZINC000823449793 607249076 /nfs/dbraw/zinc/24/90/76/607249076.db2.gz CULDMKUFFQYUPP-UHFFFAOYSA-N -1 3 361.336 3.287 20 0 FGADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)c1cncc(-c2ccccc2)c1 ZINC000823449793 607249077 /nfs/dbraw/zinc/24/90/77/607249077.db2.gz CULDMKUFFQYUPP-UHFFFAOYSA-N -1 3 361.336 3.287 20 0 FGADHM COc1cccc(OCCSCc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000826217500 607784773 /nfs/dbraw/zinc/78/47/73/607784773.db2.gz PJJILFZMGUNFTQ-UHFFFAOYSA-N -1 3 360.414 3.327 20 0 FGADHM COc1cccc(OCCSCc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000826217500 607784774 /nfs/dbraw/zinc/78/47/74/607784774.db2.gz PJJILFZMGUNFTQ-UHFFFAOYSA-N -1 3 360.414 3.327 20 0 FGADHM CN(C(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1)c1ccccc1-c1nnn[n-]1 ZINC000825812879 607789813 /nfs/dbraw/zinc/78/98/13/607789813.db2.gz WPHLSMNRAROADW-HUUCEWRRSA-N -1 3 353.813 3.287 20 0 FGADHM CN(C(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1)c1ccccc1-c1nn[n-]n1 ZINC000825812879 607789814 /nfs/dbraw/zinc/78/98/14/607789814.db2.gz WPHLSMNRAROADW-HUUCEWRRSA-N -1 3 353.813 3.287 20 0 FGADHM CCN(C(=O)[C@H](C)Cc1ccccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000825361642 607796282 /nfs/dbraw/zinc/79/62/82/607796282.db2.gz GSFMWCXNTOKJPE-CYBMUJFWSA-N -1 3 353.401 3.238 20 0 FGADHM CCN(C(=O)[C@H](C)Cc1ccccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000825361642 607796283 /nfs/dbraw/zinc/79/62/83/607796283.db2.gz GSFMWCXNTOKJPE-CYBMUJFWSA-N -1 3 353.401 3.238 20 0 FGADHM CCN(C(=O)C[C@@H](C)c1ccccc1OC)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367062 607797014 /nfs/dbraw/zinc/79/70/14/607797014.db2.gz IOPHQKJRFSVFIQ-CQSZACIVSA-N -1 3 365.437 3.422 20 0 FGADHM CCN(C(=O)C[C@@H](C)c1ccccc1OC)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367062 607797015 /nfs/dbraw/zinc/79/70/15/607797015.db2.gz IOPHQKJRFSVFIQ-CQSZACIVSA-N -1 3 365.437 3.422 20 0 FGADHM CC[C@H](Oc1ccccc1F)C(=O)N(CC)c1ccc(-c2nnn[n-]2)cc1 ZINC000825159028 607798153 /nfs/dbraw/zinc/79/81/53/607798153.db2.gz HOEXOXUGTSZDOF-INIZCTEOSA-N -1 3 369.400 3.216 20 0 FGADHM CC[C@H](Oc1ccccc1F)C(=O)N(CC)c1ccc(-c2nn[n-]n2)cc1 ZINC000825159028 607798154 /nfs/dbraw/zinc/79/81/54/607798154.db2.gz HOEXOXUGTSZDOF-INIZCTEOSA-N -1 3 369.400 3.216 20 0 FGADHM CCN(C(=O)c1csc(-c2ccoc2)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825390223 607798683 /nfs/dbraw/zinc/79/86/83/607798683.db2.gz BDAHTJKAIWOJAK-UHFFFAOYSA-N -1 3 366.406 3.250 20 0 FGADHM CCN(C(=O)c1csc(-c2ccoc2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825390223 607798684 /nfs/dbraw/zinc/79/86/84/607798684.db2.gz BDAHTJKAIWOJAK-UHFFFAOYSA-N -1 3 366.406 3.250 20 0 FGADHM CCN(C(=O)c1ccc2ncsc2c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825386147 607799403 /nfs/dbraw/zinc/79/94/03/607799403.db2.gz ZDBHPPNEWIIVDG-UHFFFAOYSA-N -1 3 350.407 3.143 20 0 FGADHM CCN(C(=O)c1ccc2ncsc2c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825386147 607799404 /nfs/dbraw/zinc/79/94/04/607799404.db2.gz ZDBHPPNEWIIVDG-UHFFFAOYSA-N -1 3 350.407 3.143 20 0 FGADHM CCN(C(=O)[C@H](C)Cc1ccc(F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825361559 607799616 /nfs/dbraw/zinc/79/96/16/607799616.db2.gz FGOCGWPAJNOSQC-CYBMUJFWSA-N -1 3 353.401 3.238 20 0 FGADHM CCN(C(=O)[C@H](C)Cc1ccc(F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825361559 607799617 /nfs/dbraw/zinc/79/96/17/607799617.db2.gz FGOCGWPAJNOSQC-CYBMUJFWSA-N -1 3 353.401 3.238 20 0 FGADHM CCOc1ccccc1C(F)(F)C(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC000825654156 607801247 /nfs/dbraw/zinc/80/12/47/607801247.db2.gz PXPLYFMQZUTBCS-UHFFFAOYSA-N -1 3 373.363 3.020 20 0 FGADHM CCOc1ccccc1C(F)(F)C(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC000825654156 607801248 /nfs/dbraw/zinc/80/12/48/607801248.db2.gz PXPLYFMQZUTBCS-UHFFFAOYSA-N -1 3 373.363 3.020 20 0 FGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCCC1=CCCC1 ZINC000824293689 607806858 /nfs/dbraw/zinc/80/68/58/607806858.db2.gz XCODZNMHJYOONN-UHFFFAOYSA-N -1 3 354.458 3.287 20 0 FGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCC1=CCCC1 ZINC000824293689 607806859 /nfs/dbraw/zinc/80/68/59/607806859.db2.gz XCODZNMHJYOONN-UHFFFAOYSA-N -1 3 354.458 3.287 20 0 FGADHM Cc1ccc(C)c(SCCS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000826285103 607814927 /nfs/dbraw/zinc/81/49/27/607814927.db2.gz PMGOODDGSPCZJR-UHFFFAOYSA-N -1 3 374.491 3.050 20 0 FGADHM Cc1ccc(C)c(SCCS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000826285103 607814928 /nfs/dbraw/zinc/81/49/28/607814928.db2.gz PMGOODDGSPCZJR-UHFFFAOYSA-N -1 3 374.491 3.050 20 0 FGADHM C[C@@H](Cc1ccccc1Cl)C(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000824458698 607830301 /nfs/dbraw/zinc/83/03/01/607830301.db2.gz XQBAZYRSCKQWHY-JTQLQIEISA-N -1 3 360.776 3.443 20 0 FGADHM C[C@@H](Cc1ccccc1Cl)C(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000824458698 607830302 /nfs/dbraw/zinc/83/03/02/607830302.db2.gz XQBAZYRSCKQWHY-JTQLQIEISA-N -1 3 360.776 3.443 20 0 FGADHM COc1ccc(CNc2ccc3cc(-c4nnn[n-]4)ccc3n2)cc1OC ZINC000826204142 607838132 /nfs/dbraw/zinc/83/81/32/607838132.db2.gz ZKCPTHSZJKDNRW-UHFFFAOYSA-N -1 3 362.393 3.044 20 0 FGADHM COc1ccc(CNc2ccc3cc(-c4nn[n-]n4)ccc3n2)cc1OC ZINC000826204142 607838133 /nfs/dbraw/zinc/83/81/33/607838133.db2.gz ZKCPTHSZJKDNRW-UHFFFAOYSA-N -1 3 362.393 3.044 20 0 FGADHM OCCC[C@H](Nc1ccc2cc(-c3nnn[n-]3)ccc2n1)c1ccccc1 ZINC000826508751 607842519 /nfs/dbraw/zinc/84/25/19/607842519.db2.gz APNWDAAJNBBLQZ-KRWDZBQOSA-N -1 3 360.421 3.341 20 0 FGADHM OCCC[C@H](Nc1ccc2cc(-c3nn[n-]n3)ccc2n1)c1ccccc1 ZINC000826508751 607842520 /nfs/dbraw/zinc/84/25/20/607842520.db2.gz APNWDAAJNBBLQZ-KRWDZBQOSA-N -1 3 360.421 3.341 20 0 FGADHM CC(=Cc1ccccc1Cl)C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000755881880 607880868 /nfs/dbraw/zinc/88/08/68/607880868.db2.gz IBKQSWYJBNGETP-BENRWUELSA-N -1 3 353.813 3.240 20 0 FGADHM CC(=Cc1ccccc1Cl)C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000755881880 607880869 /nfs/dbraw/zinc/88/08/69/607880869.db2.gz IBKQSWYJBNGETP-BENRWUELSA-N -1 3 353.813 3.240 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H](C)Cc1cccc(Cl)c1 ZINC000826185937 607889624 /nfs/dbraw/zinc/88/96/24/607889624.db2.gz YGIRPZYNUFJFJB-LLVKDONJSA-N -1 3 371.828 3.346 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H](C)Cc1cccc(Cl)c1 ZINC000826185937 607889625 /nfs/dbraw/zinc/88/96/25/607889625.db2.gz YGIRPZYNUFJFJB-LLVKDONJSA-N -1 3 371.828 3.346 20 0 FGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000826441841 607895091 /nfs/dbraw/zinc/89/50/91/607895091.db2.gz XWWRTSSOKHVENZ-GZBFAFLISA-N -1 3 357.433 3.229 20 0 FGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000826441841 607895092 /nfs/dbraw/zinc/89/50/92/607895092.db2.gz XWWRTSSOKHVENZ-GZBFAFLISA-N -1 3 357.433 3.229 20 0 FGADHM C[C@@H](Cc1cccc(Cl)c1)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000824457105 607905813 /nfs/dbraw/zinc/90/58/13/607905813.db2.gz FDQYSNLUDGWBRZ-NSHDSACASA-N -1 3 373.819 3.154 20 0 FGADHM C[C@@H](Cc1cccc(Cl)c1)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000824457105 607905814 /nfs/dbraw/zinc/90/58/14/607905814.db2.gz FDQYSNLUDGWBRZ-NSHDSACASA-N -1 3 373.819 3.154 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@H](c1ccc(F)cc1)C(C)C ZINC000826174186 607921783 /nfs/dbraw/zinc/92/17/83/607921783.db2.gz LZJLATXGCYOLES-KRWDZBQOSA-N -1 3 370.384 3.360 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@H](c1ccc(F)cc1)C(C)C ZINC000826174186 607921784 /nfs/dbraw/zinc/92/17/84/607921784.db2.gz LZJLATXGCYOLES-KRWDZBQOSA-N -1 3 370.384 3.360 20 0 FGADHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1NC(=O)c1ccnnc1 ZINC000826271799 607928832 /nfs/dbraw/zinc/92/88/32/607928832.db2.gz HZKWOWCFEFQADV-UHFFFAOYSA-N -1 3 373.376 3.010 20 0 FGADHM Fc1ccc(NC(=S)N2CCc3ccc(-c4nnn[n-]4)cc32)cc1Cl ZINC000826375302 607931541 /nfs/dbraw/zinc/93/15/41/607931541.db2.gz HZIADPVLRJNZEU-UHFFFAOYSA-N -1 3 374.832 3.419 20 0 FGADHM Fc1ccc(NC(=S)N2CCc3ccc(-c4nn[n-]n4)cc32)cc1Cl ZINC000826375302 607931542 /nfs/dbraw/zinc/93/15/42/607931542.db2.gz HZIADPVLRJNZEU-UHFFFAOYSA-N -1 3 374.832 3.419 20 0 FGADHM Cc1cccc(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)c1Br ZINC000826296006 607942368 /nfs/dbraw/zinc/94/23/68/607942368.db2.gz GMJUQRDHIRAEGI-UHFFFAOYSA-N -1 3 372.226 3.498 20 0 FGADHM Cc1cccc(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)c1Br ZINC000826296006 607942369 /nfs/dbraw/zinc/94/23/69/607942369.db2.gz GMJUQRDHIRAEGI-UHFFFAOYSA-N -1 3 372.226 3.498 20 0 FGADHM O=C(Cc1cccc2ccccc21)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826423539 607945773 /nfs/dbraw/zinc/94/57/73/607945773.db2.gz UHECELHGAVCGKB-UHFFFAOYSA-N -1 3 355.401 3.152 20 0 FGADHM O=C(Cc1cccc2ccccc21)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826423539 607945774 /nfs/dbraw/zinc/94/57/74/607945774.db2.gz UHECELHGAVCGKB-UHFFFAOYSA-N -1 3 355.401 3.152 20 0 FGADHM Cc1nc(-c2ccco2)ccc1C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826323019 607953321 /nfs/dbraw/zinc/95/33/21/607953321.db2.gz MHLGVPUOWSCGRE-UHFFFAOYSA-N -1 3 372.388 3.033 20 0 FGADHM Cc1nc(-c2ccco2)ccc1C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826323019 607953322 /nfs/dbraw/zinc/95/33/22/607953322.db2.gz MHLGVPUOWSCGRE-UHFFFAOYSA-N -1 3 372.388 3.033 20 0 FGADHM O=C(c1c(Cl)cccc1Cl)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826468923 607954440 /nfs/dbraw/zinc/95/44/40/607954440.db2.gz NAYPKDZRDVYISU-UHFFFAOYSA-N -1 3 360.204 3.376 20 0 FGADHM O=C(c1c(Cl)cccc1Cl)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826468923 607954441 /nfs/dbraw/zinc/95/44/41/607954441.db2.gz NAYPKDZRDVYISU-UHFFFAOYSA-N -1 3 360.204 3.376 20 0 FGADHM C[C@H](OC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)c1ccncc1 ZINC000824713478 607959337 /nfs/dbraw/zinc/95/93/37/607959337.db2.gz IRNSDWJLUPNKSX-AWEZNQCLSA-N -1 3 367.409 3.115 20 0 FGADHM C[C@H](OC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)c1ccncc1 ZINC000824713478 607959338 /nfs/dbraw/zinc/95/93/38/607959338.db2.gz IRNSDWJLUPNKSX-AWEZNQCLSA-N -1 3 367.409 3.115 20 0 FGADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)C=Cc2ccnc(Cl)c2)s1 ZINC000825694646 607962279 /nfs/dbraw/zinc/96/22/79/607962279.db2.gz XZSKKFIOLSPIFO-ARJAWSKDSA-N -1 3 360.830 3.191 20 0 FGADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)C=Cc2ccnc(Cl)c2)s1 ZINC000825694646 607962280 /nfs/dbraw/zinc/96/22/80/607962280.db2.gz XZSKKFIOLSPIFO-ARJAWSKDSA-N -1 3 360.830 3.191 20 0 FGADHM OC[C@@H](Nc1ccc(-c2nn[n-]n2)cc1F)c1ccc(C(F)(F)F)cc1 ZINC000826508504 607969535 /nfs/dbraw/zinc/96/95/35/607969535.db2.gz QZKWYPFTRWSDKH-CQSZACIVSA-N -1 3 367.306 3.170 20 0 FGADHM COC1CCC(CC(=O)N(CC(C)C)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826144596 607980344 /nfs/dbraw/zinc/98/03/44/607980344.db2.gz NCEJVMPOLABBDR-UHFFFAOYSA-N -1 3 371.485 3.451 20 0 FGADHM COC1CCC(CC(=O)N(CC(C)C)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826144596 607980345 /nfs/dbraw/zinc/98/03/45/607980345.db2.gz NCEJVMPOLABBDR-UHFFFAOYSA-N -1 3 371.485 3.451 20 0 FGADHM CC(=Cc1ccc(Cl)cc1)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000823943989 607985097 /nfs/dbraw/zinc/98/50/97/607985097.db2.gz WOPQQCFMCLMVKU-DHZHZOJOSA-N -1 3 371.803 3.379 20 0 FGADHM CC(=Cc1ccc(Cl)cc1)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000823943989 607985098 /nfs/dbraw/zinc/98/50/98/607985098.db2.gz WOPQQCFMCLMVKU-DHZHZOJOSA-N -1 3 371.803 3.379 20 0 FGADHM Cc1cccn2cc(CCNc3ccc4cc(-c5nnn[n-]5)ccc4n3)nc12 ZINC000826308031 607991371 /nfs/dbraw/zinc/99/13/71/607991371.db2.gz GLAXQACLXGOTGU-UHFFFAOYSA-N -1 3 370.420 3.026 20 0 FGADHM Cc1cccn2cc(CCNc3ccc4cc(-c5nn[n-]n5)ccc4n3)nc12 ZINC000826308031 607991372 /nfs/dbraw/zinc/99/13/72/607991372.db2.gz GLAXQACLXGOTGU-UHFFFAOYSA-N -1 3 370.420 3.026 20 0 FGADHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)C1CCC(F)(F)CC1 ZINC000824450529 607991734 /nfs/dbraw/zinc/99/17/34/607991734.db2.gz XNAGELUDEHWVIP-LLVKDONJSA-N -1 3 366.368 3.003 20 0 FGADHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)C1CCC(F)(F)CC1 ZINC000824450529 607991735 /nfs/dbraw/zinc/99/17/35/607991735.db2.gz XNAGELUDEHWVIP-LLVKDONJSA-N -1 3 366.368 3.003 20 0 FGADHM Cc1sc(NC(=O)c2cnc3ccc(F)cc3c2)c(-c2nnn[n-]2)c1C ZINC000826350357 608000387 /nfs/dbraw/zinc/00/03/87/608000387.db2.gz SEOPKSLGROWWKT-UHFFFAOYSA-N -1 3 368.397 3.485 20 0 FGADHM Cc1sc(NC(=O)c2cnc3ccc(F)cc3c2)c(-c2nn[n-]n2)c1C ZINC000826350357 608000388 /nfs/dbraw/zinc/00/03/88/608000388.db2.gz SEOPKSLGROWWKT-UHFFFAOYSA-N -1 3 368.397 3.485 20 0 FGADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2ccc(Cl)c(OC)c2)s1 ZINC000825693977 608003746 /nfs/dbraw/zinc/00/37/46/608003746.db2.gz JMANZTZHBSNWBC-UHFFFAOYSA-N -1 3 363.830 3.405 20 0 FGADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2ccc(Cl)c(OC)c2)s1 ZINC000825693977 608003747 /nfs/dbraw/zinc/00/37/47/608003747.db2.gz JMANZTZHBSNWBC-UHFFFAOYSA-N -1 3 363.830 3.405 20 0 FGADHM CC(=O)c1ccc(NC(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000824024793 608009648 /nfs/dbraw/zinc/00/96/48/608009648.db2.gz PVHBBBFSSDIIND-LBPRGKRZSA-N -1 3 364.409 3.260 20 0 FGADHM CC(=O)c1ccc(NC(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000824024793 608009649 /nfs/dbraw/zinc/00/96/49/608009649.db2.gz PVHBBBFSSDIIND-LBPRGKRZSA-N -1 3 364.409 3.260 20 0 FGADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)cc1F)c1nc(-c2ccccc2)no1 ZINC000824426380 608016938 /nfs/dbraw/zinc/01/69/38/608016938.db2.gz DSSTZAWTXLXGQF-NSHDSACASA-N -1 3 365.372 3.271 20 0 FGADHM CC[C@H](C)n1ncc(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c1C1CC1 ZINC000825081641 608026896 /nfs/dbraw/zinc/02/68/96/608026896.db2.gz LGZQVUQXXHGDCY-JTQLQIEISA-N -1 3 369.404 3.303 20 0 FGADHM CC[C@H](C)n1ncc(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c1C1CC1 ZINC000825081641 608026897 /nfs/dbraw/zinc/02/68/97/608026897.db2.gz LGZQVUQXXHGDCY-JTQLQIEISA-N -1 3 369.404 3.303 20 0 FGADHM CC[C@H](C)n1ncc(C(=O)Oc2ccc(-c3nnn[n-]3)cc2F)c1C1CC1 ZINC000825081889 608029650 /nfs/dbraw/zinc/02/96/50/608029650.db2.gz ODRCQARMTPJIPS-JTQLQIEISA-N -1 3 370.388 3.270 20 0 FGADHM CC[C@H](C)n1ncc(C(=O)Oc2ccc(-c3nn[n-]n3)cc2F)c1C1CC1 ZINC000825081889 608029651 /nfs/dbraw/zinc/02/96/51/608029651.db2.gz ODRCQARMTPJIPS-JTQLQIEISA-N -1 3 370.388 3.270 20 0 FGADHM CCSCc1ccnc(NC(=S)Nc2ccccc2-c2nnn[n-]2)c1 ZINC000825674025 608047520 /nfs/dbraw/zinc/04/75/20/608047520.db2.gz FKGAKLOBVIPVJA-UHFFFAOYSA-N -1 3 371.495 3.324 20 0 FGADHM CCSCc1ccnc(NC(=S)Nc2ccccc2-c2nn[n-]n2)c1 ZINC000825674025 608047521 /nfs/dbraw/zinc/04/75/21/608047521.db2.gz FKGAKLOBVIPVJA-UHFFFAOYSA-N -1 3 371.495 3.324 20 0 FGADHM Cc1ccccc1[C@@H](O)CNc1ccc(-c2nn[n-]n2)cc1Br ZINC000826306450 608050300 /nfs/dbraw/zinc/05/03/00/608050300.db2.gz ZEUJBMATSRHRRE-HNNXBMFYSA-N -1 3 374.242 3.083 20 0 FGADHM C[C@@H](NC(=O)CCCc1cc(F)ccc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000824480493 608058935 /nfs/dbraw/zinc/05/89/35/608058935.db2.gz WSKIYDFQXWNQSB-GFCCVEGCSA-N -1 3 371.391 3.345 20 0 FGADHM C[C@@H](NC(=O)CCCc1cc(F)ccc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000824480493 608058936 /nfs/dbraw/zinc/05/89/36/608058936.db2.gz WSKIYDFQXWNQSB-GFCCVEGCSA-N -1 3 371.391 3.345 20 0 FGADHM C[C@H](c1ccc(F)cc1F)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824761409 608069519 /nfs/dbraw/zinc/06/95/19/608069519.db2.gz ACMQJYQNAVPYTL-XIKOKIGWSA-N -1 3 371.391 3.279 20 0 FGADHM C[C@H](c1ccc(F)cc1F)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824761409 608069520 /nfs/dbraw/zinc/06/95/20/608069520.db2.gz ACMQJYQNAVPYTL-XIKOKIGWSA-N -1 3 371.391 3.279 20 0 FGADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OCCCC(F)(F)F ZINC000824206913 608075419 /nfs/dbraw/zinc/07/54/19/608075419.db2.gz LTCVHGVSRJOAGO-ZDUSSCGKSA-N -1 3 372.347 3.156 20 0 FGADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)OCCCC(F)(F)F ZINC000824206913 608075420 /nfs/dbraw/zinc/07/54/20/608075420.db2.gz LTCVHGVSRJOAGO-ZDUSSCGKSA-N -1 3 372.347 3.156 20 0 FGADHM O[C@H](CNc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccc(Cl)c(F)c1 ZINC000826502671 608099779 /nfs/dbraw/zinc/09/97/79/608099779.db2.gz IIGSTXQXYSHWMP-CQSZACIVSA-N -1 3 368.199 3.458 20 0 FGADHM O[C@H](CNc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc(Cl)c(F)c1 ZINC000826502671 608099780 /nfs/dbraw/zinc/09/97/80/608099780.db2.gz IIGSTXQXYSHWMP-CQSZACIVSA-N -1 3 368.199 3.458 20 0 FGADHM CC[C@H](C)n1ncc(NC(=O)c2cc(-c3nnn[n-]3)cs2)c1C1CC1 ZINC000825081126 608102673 /nfs/dbraw/zinc/10/26/73/608102673.db2.gz GOBKTBGQRUXDCA-VIFPVBQESA-N -1 3 357.443 3.225 20 0 FGADHM CC[C@H](C)n1ncc(NC(=O)c2cc(-c3nn[n-]n3)cs2)c1C1CC1 ZINC000825081126 608102674 /nfs/dbraw/zinc/10/26/74/608102674.db2.gz GOBKTBGQRUXDCA-VIFPVBQESA-N -1 3 357.443 3.225 20 0 FGADHM CC(C)(C)OC(=O)c1ccc(C(=O)Nc2ccccc2-c2nnn[n-]2)cc1 ZINC000824114541 608147871 /nfs/dbraw/zinc/14/78/71/608147871.db2.gz XBRYOUGWZKBEIS-UHFFFAOYSA-N -1 3 365.393 3.074 20 0 FGADHM CC(C)(C)OC(=O)c1ccc(C(=O)Nc2ccccc2-c2nn[n-]n2)cc1 ZINC000824114541 608147873 /nfs/dbraw/zinc/14/78/73/608147873.db2.gz XBRYOUGWZKBEIS-UHFFFAOYSA-N -1 3 365.393 3.074 20 0 FGADHM CCN(C(=O)c1cnn(C(C)C)c1C)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825391288 608155277 /nfs/dbraw/zinc/15/52/77/608155277.db2.gz XJGRGKLWBFWZEJ-CYBMUJFWSA-N -1 3 367.457 3.176 20 0 FGADHM CCN(C(=O)c1cnn(C(C)C)c1C)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825391288 608155278 /nfs/dbraw/zinc/15/52/78/608155278.db2.gz XJGRGKLWBFWZEJ-CYBMUJFWSA-N -1 3 367.457 3.176 20 0 FGADHM C[C@H]1OCC[C@H]1C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000825022033 608155326 /nfs/dbraw/zinc/15/53/26/608155326.db2.gz VUZWXLCREYERSR-IUODEOHRSA-N -1 3 365.393 3.023 20 0 FGADHM C[C@H]1OCC[C@H]1C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000825022033 608155328 /nfs/dbraw/zinc/15/53/28/608155328.db2.gz VUZWXLCREYERSR-IUODEOHRSA-N -1 3 365.393 3.023 20 0 FGADHM C[C@H]1OCC[C@@H]1C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000825022031 608155399 /nfs/dbraw/zinc/15/53/99/608155399.db2.gz VUZWXLCREYERSR-DOMZBBRYSA-N -1 3 365.393 3.023 20 0 FGADHM C[C@H]1OCC[C@@H]1C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000825022031 608155400 /nfs/dbraw/zinc/15/54/00/608155400.db2.gz VUZWXLCREYERSR-DOMZBBRYSA-N -1 3 365.393 3.023 20 0 FGADHM Cc1cccc(C2=CCN(C(=O)Nc3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000826297421 608155977 /nfs/dbraw/zinc/15/59/77/608155977.db2.gz HBVYXTFYSIDLIN-UHFFFAOYSA-N -1 3 360.421 3.496 20 0 FGADHM Cc1cccc(C2=CCN(C(=O)Nc3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000826297421 608155978 /nfs/dbraw/zinc/15/59/78/608155978.db2.gz HBVYXTFYSIDLIN-UHFFFAOYSA-N -1 3 360.421 3.496 20 0 FGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N[C@@H]1CC12CCCCC2 ZINC000824148474 608156583 /nfs/dbraw/zinc/15/65/83/608156583.db2.gz WLFHUFBGGOIBJR-CYBMUJFWSA-N -1 3 357.462 3.268 20 0 FGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N[C@@H]1CC12CCCCC2 ZINC000824148474 608156584 /nfs/dbraw/zinc/15/65/84/608156584.db2.gz WLFHUFBGGOIBJR-CYBMUJFWSA-N -1 3 357.462 3.268 20 0 FGADHM Cc1cc([C@@H]2CN(Cc3ccc(F)c(-c4nnn[n-]4)c3)CCO2)ccc1F ZINC000826266681 608173014 /nfs/dbraw/zinc/17/30/14/608173014.db2.gz XUBVBZHSNQHQBC-SFHVURJKSA-N -1 3 371.391 3.027 20 0 FGADHM Cc1cc([C@@H]2CN(Cc3ccc(F)c(-c4nn[n-]n4)c3)CCO2)ccc1F ZINC000826266681 608173016 /nfs/dbraw/zinc/17/30/16/608173016.db2.gz XUBVBZHSNQHQBC-SFHVURJKSA-N -1 3 371.391 3.027 20 0 FGADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)C[C@H]1CC[C@H](C)C1 ZINC000825787461 608178619 /nfs/dbraw/zinc/17/86/19/608178619.db2.gz GLUGIDGDOWSLDR-RYUDHWBXSA-N -1 3 353.430 3.001 20 0 FGADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)C[C@H]1CC[C@H](C)C1 ZINC000825787461 608178621 /nfs/dbraw/zinc/17/86/21/608178621.db2.gz GLUGIDGDOWSLDR-RYUDHWBXSA-N -1 3 353.430 3.001 20 0 FGADHM CSc1nc2ncnc(Oc3ccc(-c4nn[n-]n4)cc3C)c2s1 ZINC000826231791 608180948 /nfs/dbraw/zinc/18/09/48/608180948.db2.gz ZSJPJIMUACXARP-UHFFFAOYSA-N -1 3 357.424 3.089 20 0 FGADHM Clc1ccc(-c2nnn[n-]2)c(N2CCC(Cc3cccnc3)CC2)c1 ZINC000826351226 608194417 /nfs/dbraw/zinc/19/44/17/608194417.db2.gz DKOVWVRJLRNCDI-UHFFFAOYSA-N -1 3 354.845 3.374 20 0 FGADHM Clc1ccc(-c2nn[n-]n2)c(N2CCC(Cc3cccnc3)CC2)c1 ZINC000826351226 608194418 /nfs/dbraw/zinc/19/44/18/608194418.db2.gz DKOVWVRJLRNCDI-UHFFFAOYSA-N -1 3 354.845 3.374 20 0 FGADHM COC[C@H](Cc1ccccc1)Nc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000826149165 608232027 /nfs/dbraw/zinc/23/20/27/608232027.db2.gz AWKOFOHCFIZTNP-KRWDZBQOSA-N -1 3 360.421 3.085 20 0 FGADHM COC[C@H](Cc1ccccc1)Nc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000826149165 608232029 /nfs/dbraw/zinc/23/20/29/608232029.db2.gz AWKOFOHCFIZTNP-KRWDZBQOSA-N -1 3 360.421 3.085 20 0 FGADHM c1cncc(CC2CCN(c3ccc4cc(-c5nnn[n-]5)ccc4n3)CC2)c1 ZINC000826525291 608236700 /nfs/dbraw/zinc/23/67/00/608236700.db2.gz DOCNZDQICRDXAW-UHFFFAOYSA-N -1 3 371.448 3.269 20 0 FGADHM c1cncc(CC2CCN(c3ccc4cc(-c5nn[n-]n5)ccc4n3)CC2)c1 ZINC000826525291 608236702 /nfs/dbraw/zinc/23/67/02/608236702.db2.gz DOCNZDQICRDXAW-UHFFFAOYSA-N -1 3 371.448 3.269 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C=Cc1ccc2[nH]ccc2c1 ZINC000826185284 608238906 /nfs/dbraw/zinc/23/89/06/608238906.db2.gz FWZRQTYKSFZWCM-XVNBXDOJSA-N -1 3 360.377 3.009 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C=Cc1ccc2[nH]ccc2c1 ZINC000826185284 608238907 /nfs/dbraw/zinc/23/89/07/608238907.db2.gz FWZRQTYKSFZWCM-XVNBXDOJSA-N -1 3 360.377 3.009 20 0 FGADHM Cc1cccc([C@H](NC(=O)c2ccc(-c3nnn[n-]3)cc2)c2ccccn2)c1 ZINC000826296589 608245834 /nfs/dbraw/zinc/24/58/34/608245834.db2.gz BPKZUJWIAHMDFN-IBGZPJMESA-N -1 3 370.416 3.090 20 0 FGADHM Cc1cccc([C@H](NC(=O)c2ccc(-c3nn[n-]n3)cc2)c2ccccn2)c1 ZINC000826296589 608245835 /nfs/dbraw/zinc/24/58/35/608245835.db2.gz BPKZUJWIAHMDFN-IBGZPJMESA-N -1 3 370.416 3.090 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)c(NCCCO[C@H]2CCCc3ccccc32)n1 ZINC000826276526 608288324 /nfs/dbraw/zinc/28/83/24/608288324.db2.gz KDOMBCNBAFURKP-SFHVURJKSA-N -1 3 364.453 3.466 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)c(NCCCO[C@H]2CCCc3ccccc32)n1 ZINC000826276526 608288325 /nfs/dbraw/zinc/28/83/25/608288325.db2.gz KDOMBCNBAFURKP-SFHVURJKSA-N -1 3 364.453 3.466 20 0 FGADHM CC[C@@H](CSC)N(C)C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825122385 608289606 /nfs/dbraw/zinc/28/96/06/608289606.db2.gz YIAUUOFOKMERHE-JTQLQIEISA-N -1 3 370.935 3.290 20 0 FGADHM CC[C@@H](CSC)N(C)C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825122385 608289608 /nfs/dbraw/zinc/28/96/08/608289608.db2.gz YIAUUOFOKMERHE-JTQLQIEISA-N -1 3 370.935 3.290 20 0 FGADHM Cc1nnc(COc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)s1 ZINC000826336164 608290625 /nfs/dbraw/zinc/29/06/25/608290625.db2.gz PPZCWPZTCZHUJD-UHFFFAOYSA-N -1 3 366.406 3.398 20 0 FGADHM Cc1nnc(COc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)s1 ZINC000826336164 608290626 /nfs/dbraw/zinc/29/06/26/608290626.db2.gz PPZCWPZTCZHUJD-UHFFFAOYSA-N -1 3 366.406 3.398 20 0 FGADHM CC(C)(C)n1ncc2c1ncnc2Sc1ccc(-c2nnn[n-]2)cc1F ZINC000824152745 608290705 /nfs/dbraw/zinc/29/07/05/608290705.db2.gz LNIPGLVWTNDANC-UHFFFAOYSA-N -1 3 370.417 3.052 20 0 FGADHM CC(C)(C)n1ncc2c1ncnc2Sc1ccc(-c2nn[n-]n2)cc1F ZINC000824152745 608290706 /nfs/dbraw/zinc/29/07/06/608290706.db2.gz LNIPGLVWTNDANC-UHFFFAOYSA-N -1 3 370.417 3.052 20 0 FGADHM Cc1scc(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)c1C ZINC000826350461 608293530 /nfs/dbraw/zinc/29/35/30/608293530.db2.gz XAKSEVSHYKEFEE-UHFFFAOYSA-N -1 3 353.451 3.350 20 0 FGADHM Cc1scc(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)c1C ZINC000826350461 608293531 /nfs/dbraw/zinc/29/35/31/608293531.db2.gz XAKSEVSHYKEFEE-UHFFFAOYSA-N -1 3 353.451 3.350 20 0 FGADHM COC[C@H](Nc1c(F)cc(-c2nnn[n-]2)cc1F)c1ccc(F)c(F)c1 ZINC000826151420 608297599 /nfs/dbraw/zinc/29/75/99/608297599.db2.gz APZBDYQDVJXIFC-AWEZNQCLSA-N -1 3 367.306 3.223 20 0 FGADHM COC[C@H](Nc1c(F)cc(-c2nn[n-]n2)cc1F)c1ccc(F)c(F)c1 ZINC000826151420 608297600 /nfs/dbraw/zinc/29/76/00/608297600.db2.gz APZBDYQDVJXIFC-AWEZNQCLSA-N -1 3 367.306 3.223 20 0 FGADHM c1ccc2c(c1)[nH]c1c2CCN(c2nc3c(cc2-c2nnn[n-]2)CCCC3)C1 ZINC000826524050 608302601 /nfs/dbraw/zinc/30/26/01/608302601.db2.gz HHJBDPYSOXIJOP-UHFFFAOYSA-N -1 3 371.448 3.185 20 0 FGADHM c1ccc2c(c1)[nH]c1c2CCN(c2nc3c(cc2-c2nn[n-]n2)CCCC3)C1 ZINC000826524050 608302603 /nfs/dbraw/zinc/30/26/03/608302603.db2.gz HHJBDPYSOXIJOP-UHFFFAOYSA-N -1 3 371.448 3.185 20 0 FGADHM CC[C@@H](SC)C(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000825159012 608304776 /nfs/dbraw/zinc/30/47/76/608304776.db2.gz HCGTVSTYBYTTSZ-QGZVFWFLSA-N -1 3 367.478 3.292 20 0 FGADHM CC[C@@H](SC)C(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000825159012 608304777 /nfs/dbraw/zinc/30/47/77/608304777.db2.gz HCGTVSTYBYTTSZ-QGZVFWFLSA-N -1 3 367.478 3.292 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)c1cccc([C@@H]2CCCOC2)c1 ZINC000826454747 608310583 /nfs/dbraw/zinc/31/05/83/608310583.db2.gz JJIIOEIKMJMBQS-CQSZACIVSA-N -1 3 367.384 3.152 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)c1cccc([C@@H]2CCCOC2)c1 ZINC000826454747 608310585 /nfs/dbraw/zinc/31/05/85/608310585.db2.gz JJIIOEIKMJMBQS-CQSZACIVSA-N -1 3 367.384 3.152 20 0 FGADHM CCCN1C(=O)CCc2cc(NCc3cc(-c4nnn[n-]4)cs3)ccc21 ZINC000825323189 608311839 /nfs/dbraw/zinc/31/18/39/608311839.db2.gz QJNZBBPFEOMSAI-UHFFFAOYSA-N -1 3 368.466 3.230 20 0 FGADHM CCCN1C(=O)CCc2cc(NCc3cc(-c4nn[n-]n4)cs3)ccc21 ZINC000825323189 608311841 /nfs/dbraw/zinc/31/18/41/608311841.db2.gz QJNZBBPFEOMSAI-UHFFFAOYSA-N -1 3 368.466 3.230 20 0 FGADHM CC(C)c1ccc(C[C@H](C)NC(=O)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000824447725 608313660 /nfs/dbraw/zinc/31/36/60/608313660.db2.gz BMTAIFULWQDVNR-HNNXBMFYSA-N -1 3 363.465 3.280 20 0 FGADHM CC(C)c1ccc(C[C@H](C)NC(=O)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000824447725 608313662 /nfs/dbraw/zinc/31/36/62/608313662.db2.gz BMTAIFULWQDVNR-HNNXBMFYSA-N -1 3 363.465 3.280 20 0 FGADHM C/C=C\c1ccc(OCc2ccc(-c3nnn[n-]3)cc2OC)c(OC)c1 ZINC000825028035 608322928 /nfs/dbraw/zinc/32/29/28/608322928.db2.gz DFWHOZFNQPIBPQ-PLNGDYQASA-N -1 3 352.394 3.496 20 0 FGADHM C/C=C\c1ccc(OCc2ccc(-c3nn[n-]n3)cc2OC)c(OC)c1 ZINC000825028035 608322931 /nfs/dbraw/zinc/32/29/31/608322931.db2.gz DFWHOZFNQPIBPQ-PLNGDYQASA-N -1 3 352.394 3.496 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)Cc1ccc2ccccc2c1 ZINC000826171995 608347398 /nfs/dbraw/zinc/34/73/98/608347398.db2.gz IJSWKKZOQSHVFB-UHFFFAOYSA-N -1 3 374.400 3.314 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)Cc1ccc2ccccc2c1 ZINC000826171995 608347400 /nfs/dbraw/zinc/34/74/00/608347400.db2.gz IJSWKKZOQSHVFB-UHFFFAOYSA-N -1 3 374.400 3.314 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)CC/C=C\c1ccccc1 ZINC000826171571 608360078 /nfs/dbraw/zinc/36/00/78/608360078.db2.gz REGAJUWLWXARNZ-UITAMQMPSA-N -1 3 364.405 3.412 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)CC/C=C\c1ccccc1 ZINC000826171571 608360080 /nfs/dbraw/zinc/36/00/80/608360080.db2.gz REGAJUWLWXARNZ-UITAMQMPSA-N -1 3 364.405 3.412 20 0 FGADHM CSc1cccc(N[C@H](C)C(=O)Nc2ccccc2-c2nnn[n-]2)c1C ZINC000826230870 608384425 /nfs/dbraw/zinc/38/44/25/608384425.db2.gz MXRRSKIEOIVBRN-GFCCVEGCSA-N -1 3 368.466 3.336 20 0 FGADHM CSc1cccc(N[C@H](C)C(=O)Nc2ccccc2-c2nn[n-]n2)c1C ZINC000826230870 608384427 /nfs/dbraw/zinc/38/44/27/608384427.db2.gz MXRRSKIEOIVBRN-GFCCVEGCSA-N -1 3 368.466 3.336 20 0 FGADHM C[C@H](N[C@@H](C)c1ccccc1Cl)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000824650355 608389482 /nfs/dbraw/zinc/38/94/82/608389482.db2.gz QYZSROYRWPKUNV-RYUDHWBXSA-N -1 3 370.844 3.198 20 0 FGADHM C[C@H](N[C@@H](C)c1ccccc1Cl)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000824650355 608389483 /nfs/dbraw/zinc/38/94/83/608389483.db2.gz QYZSROYRWPKUNV-RYUDHWBXSA-N -1 3 370.844 3.198 20 0 FGADHM C[C@H](NC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1)c1ccccc1 ZINC000824489656 608406540 /nfs/dbraw/zinc/40/65/40/608406540.db2.gz MPTAEHGADOFGLD-HNNXBMFYSA-N -1 3 374.448 3.427 20 0 FGADHM C[C@H](NC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1)c1ccccc1 ZINC000824489656 608406541 /nfs/dbraw/zinc/40/65/41/608406541.db2.gz MPTAEHGADOFGLD-HNNXBMFYSA-N -1 3 374.448 3.427 20 0 FGADHM CC[C@@H]1CCC[C@H]1NC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000825193060 608421398 /nfs/dbraw/zinc/42/13/98/608421398.db2.gz JVFKIPKXYHFPOF-RDTXWAMCSA-N -1 3 366.469 3.244 20 0 FGADHM CC[C@@H]1CCC[C@H]1NC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825193060 608421399 /nfs/dbraw/zinc/42/13/99/608421399.db2.gz JVFKIPKXYHFPOF-RDTXWAMCSA-N -1 3 366.469 3.244 20 0 FGADHM Cc1cccc2c1ncnc2N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826304441 608441826 /nfs/dbraw/zinc/44/18/26/608441826.db2.gz LDWLKOCRLJIXAD-UHFFFAOYSA-N -1 3 369.432 3.412 20 0 FGADHM Cc1cccc2c1ncnc2N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826304441 608441828 /nfs/dbraw/zinc/44/18/28/608441828.db2.gz LDWLKOCRLJIXAD-UHFFFAOYSA-N -1 3 369.432 3.412 20 0 FGADHM CCSc1ccc(CC(=O)OCc2cccc(-c3nnn[n-]3)c2F)cc1 ZINC000825675137 608453155 /nfs/dbraw/zinc/45/31/55/608453155.db2.gz WYXYFDSKBHEDIG-UHFFFAOYSA-N -1 3 372.425 3.404 20 0 FGADHM CCSc1ccc(CC(=O)OCc2cccc(-c3nn[n-]n3)c2F)cc1 ZINC000825675137 608453157 /nfs/dbraw/zinc/45/31/57/608453157.db2.gz WYXYFDSKBHEDIG-UHFFFAOYSA-N -1 3 372.425 3.404 20 0 FGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)[C@@H](c1ccccc1)C1CC1 ZINC000826466130 608455709 /nfs/dbraw/zinc/45/57/09/608455709.db2.gz PSUKWKGTAHKWSH-INIZCTEOSA-N -1 3 352.369 3.243 20 0 FGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)[C@@H](c1ccccc1)C1CC1 ZINC000826466130 608455710 /nfs/dbraw/zinc/45/57/10/608455710.db2.gz PSUKWKGTAHKWSH-INIZCTEOSA-N -1 3 352.369 3.243 20 0 FGADHM CC(C)=CCOC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000824178591 608475289 /nfs/dbraw/zinc/47/52/89/608475289.db2.gz YZWSMWLDOPEILS-UHFFFAOYSA-N -1 3 354.366 3.162 20 0 FGADHM CC(C)=CCOC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000824178591 608475290 /nfs/dbraw/zinc/47/52/90/608475290.db2.gz YZWSMWLDOPEILS-UHFFFAOYSA-N -1 3 354.366 3.162 20 0 FGADHM O=C(c1cc2ccccn2c1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826470703 608485516 /nfs/dbraw/zinc/48/55/16/608485516.db2.gz ZIIKNCZNNAXGDX-UHFFFAOYSA-N -1 3 370.416 3.049 20 0 FGADHM O=C(c1cc2ccccn2c1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826470703 608485517 /nfs/dbraw/zinc/48/55/17/608485517.db2.gz ZIIKNCZNNAXGDX-UHFFFAOYSA-N -1 3 370.416 3.049 20 0 FGADHM CSc1cccc(NC(=O)NCc2cccc(-c3nnn[n-]3)c2)c1C ZINC000826230591 608518162 /nfs/dbraw/zinc/51/81/62/608518162.db2.gz AMLIDOGHNVFBBC-UHFFFAOYSA-N -1 3 354.439 3.219 20 0 FGADHM CSc1cccc(NC(=O)NCc2cccc(-c3nn[n-]n3)c2)c1C ZINC000826230591 608518164 /nfs/dbraw/zinc/51/81/64/608518164.db2.gz AMLIDOGHNVFBBC-UHFFFAOYSA-N -1 3 354.439 3.219 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OCc1cccc(OC(C)(C)C)n1 ZINC000826176536 608528198 /nfs/dbraw/zinc/52/81/98/608528198.db2.gz TUXXIBDKQHLHHJ-UHFFFAOYSA-N -1 3 355.398 3.027 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OCc1cccc(OC(C)(C)C)n1 ZINC000826176536 608528200 /nfs/dbraw/zinc/52/82/00/608528200.db2.gz TUXXIBDKQHLHHJ-UHFFFAOYSA-N -1 3 355.398 3.027 20 0 FGADHM Cc1ccc(-c2noc(CNC3(c4cccc(-c5nnn[n-]5)c4)CC3)n2)cc1 ZINC000826280591 608532716 /nfs/dbraw/zinc/53/27/16/608532716.db2.gz IALHWEXQVJHZPQ-UHFFFAOYSA-N -1 3 373.420 3.004 20 0 FGADHM Cc1ccc(-c2noc(CNC3(c4cccc(-c5nn[n-]n5)c4)CC3)n2)cc1 ZINC000826280591 608532718 /nfs/dbraw/zinc/53/27/18/608532718.db2.gz IALHWEXQVJHZPQ-UHFFFAOYSA-N -1 3 373.420 3.004 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)nc1NCCc1ccc(Br)s1 ZINC000826280513 608544505 /nfs/dbraw/zinc/54/45/05/608544505.db2.gz FCGYROWDUOHIBR-UHFFFAOYSA-N -1 3 365.260 3.049 20 0 FGADHM O=C(Nc1ccc(-c2ccc[nH]2)cc1)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000826451601 608560846 /nfs/dbraw/zinc/56/08/46/608560846.db2.gz NUFRMOOKNSXWGS-UHFFFAOYSA-N -1 3 365.784 3.163 20 0 FGADHM O=C(Nc1ccc(-c2ccc[nH]2)cc1)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000826451601 608560848 /nfs/dbraw/zinc/56/08/48/608560848.db2.gz NUFRMOOKNSXWGS-UHFFFAOYSA-N -1 3 365.784 3.163 20 0 FGADHM O=C(Nc1nc2c(cc1-c1nnn[n-]1)CCCC2)c1ccc(Cl)cc1F ZINC000826460281 608573000 /nfs/dbraw/zinc/57/30/00/608573000.db2.gz VUHDCOCSDXIQAD-UHFFFAOYSA-N -1 3 372.791 3.185 20 0 FGADHM O=C(Nc1nc2c(cc1-c1nn[n-]n1)CCCC2)c1ccc(Cl)cc1F ZINC000826460281 608573002 /nfs/dbraw/zinc/57/30/02/608573002.db2.gz VUHDCOCSDXIQAD-UHFFFAOYSA-N -1 3 372.791 3.185 20 0 FGADHM C[C@H](NC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)c1ccc(F)cc1F ZINC000824522414 608573015 /nfs/dbraw/zinc/57/30/15/608573015.db2.gz SIPOYKKZBKQVMN-QMMMGPOBSA-N -1 3 363.755 3.289 20 0 FGADHM C[C@H](NC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)c1ccc(F)cc1F ZINC000824522414 608573017 /nfs/dbraw/zinc/57/30/17/608573017.db2.gz SIPOYKKZBKQVMN-QMMMGPOBSA-N -1 3 363.755 3.289 20 0 FGADHM O=C(Nc1cccc2ncccc21)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826457161 608574747 /nfs/dbraw/zinc/57/47/47/608574747.db2.gz NWXUDOSPAUJFIW-UHFFFAOYSA-N -1 3 350.769 3.321 20 0 FGADHM O=C(Nc1cccc2ncccc21)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826457161 608574749 /nfs/dbraw/zinc/57/47/49/608574749.db2.gz NWXUDOSPAUJFIW-UHFFFAOYSA-N -1 3 350.769 3.321 20 0 FGADHM CN(Cc1c(C2CC2)nc2sccn12)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000825958406 608580663 /nfs/dbraw/zinc/58/06/63/608580663.db2.gz VLOSJNHEPBSQNS-UHFFFAOYSA-N -1 3 365.466 3.085 20 0 FGADHM CSc1ccc(C)c(N[C@@H](C)C(=O)Nc2ccccc2-c2nnn[n-]2)c1 ZINC000826230218 608581572 /nfs/dbraw/zinc/58/15/72/608581572.db2.gz JXKGUVJNZFDPDT-LBPRGKRZSA-N -1 3 368.466 3.336 20 0 FGADHM CSc1ccc(C)c(N[C@@H](C)C(=O)Nc2ccccc2-c2nn[n-]n2)c1 ZINC000826230218 608581574 /nfs/dbraw/zinc/58/15/74/608581574.db2.gz JXKGUVJNZFDPDT-LBPRGKRZSA-N -1 3 368.466 3.336 20 0 FGADHM Cc1ccc(C)c(C(=O)CCC(=O)OCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826283847 608581654 /nfs/dbraw/zinc/58/16/54/608581654.db2.gz CLNMYRFTGUTIBZ-UHFFFAOYSA-N -1 3 364.405 3.190 20 0 FGADHM Cc1ccc(C)c(C(=O)CCC(=O)OCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826283847 608581656 /nfs/dbraw/zinc/58/16/56/608581656.db2.gz CLNMYRFTGUTIBZ-UHFFFAOYSA-N -1 3 364.405 3.190 20 0 FGADHM Fc1c(CN2CCO[C@@H](c3ccccc3Cl)C2)cccc1-c1nnn[n-]1 ZINC000826370700 608649452 /nfs/dbraw/zinc/64/94/52/608649452.db2.gz DTNNVMHBONWRED-MRXNPFEDSA-N -1 3 373.819 3.233 20 0 FGADHM Fc1c(CN2CCO[C@@H](c3ccccc3Cl)C2)cccc1-c1nn[n-]n1 ZINC000826370700 608649453 /nfs/dbraw/zinc/64/94/53/608649453.db2.gz DTNNVMHBONWRED-MRXNPFEDSA-N -1 3 373.819 3.233 20 0 FGADHM Clc1ccccc1[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)s2)CCO1 ZINC000826353530 608678637 /nfs/dbraw/zinc/67/86/37/608678637.db2.gz TVHRIQBWFFORIT-AWEZNQCLSA-N -1 3 361.858 3.155 20 0 FGADHM Oc1ccc(CN(Cc2ccco2)Cc2cc(-c3nnn[n-]3)cs2)cc1 ZINC000826511423 608679145 /nfs/dbraw/zinc/67/91/45/608679145.db2.gz PFHJONKJQGQQPD-UHFFFAOYSA-N -1 3 367.434 3.429 20 0 FGADHM Oc1ccc(CN(Cc2ccco2)Cc2cc(-c3nn[n-]n3)cs2)cc1 ZINC000826511423 608679148 /nfs/dbraw/zinc/67/91/48/608679148.db2.gz PFHJONKJQGQQPD-UHFFFAOYSA-N -1 3 367.434 3.429 20 0 FGADHM Fc1ccc(OCCSc2ccc(-c3nnn[n-]3)cn2)c(Cl)c1 ZINC000826375836 608752602 /nfs/dbraw/zinc/75/26/02/608752602.db2.gz DLJUZEJOOIOFPF-UHFFFAOYSA-N -1 3 351.794 3.225 20 0 FGADHM Fc1ccc(OCCSc2ccc(-c3nn[n-]n3)cn2)c(Cl)c1 ZINC000826375836 608752604 /nfs/dbraw/zinc/75/26/04/608752604.db2.gz DLJUZEJOOIOFPF-UHFFFAOYSA-N -1 3 351.794 3.225 20 0 FGADHM Brc1ccc2c(c1)CC[C@H]2Nc1cnccc1-c1nnn[n-]1 ZINC000823831847 608776359 /nfs/dbraw/zinc/77/63/59/608776359.db2.gz FMFAKGNISYRFJL-CYBMUJFWSA-N -1 3 357.215 3.124 20 0 FGADHM Brc1ccc2c(c1)CC[C@H]2Nc1cnccc1-c1nn[n-]n1 ZINC000823831847 608776362 /nfs/dbraw/zinc/77/63/62/608776362.db2.gz FMFAKGNISYRFJL-CYBMUJFWSA-N -1 3 357.215 3.124 20 0 FGADHM Cc1cc(C)c(-c2nnn[n-]2)c(NC2CCC(C(=O)OC(C)(C)C)CC2)n1 ZINC000826262282 608799032 /nfs/dbraw/zinc/79/90/32/608799032.db2.gz KLZYRNIUDRLIFI-UHFFFAOYSA-N -1 3 372.473 3.191 20 0 FGADHM Cc1cc(C)c(-c2nn[n-]n2)c(NC2CCC(C(=O)OC(C)(C)C)CC2)n1 ZINC000826262282 608799033 /nfs/dbraw/zinc/79/90/33/608799033.db2.gz KLZYRNIUDRLIFI-UHFFFAOYSA-N -1 3 372.473 3.191 20 0 FGADHM COc1cc(F)cc(CNc2nc3ccccc3cc2-c2nnn[n-]2)c1 ZINC000826180837 608799093 /nfs/dbraw/zinc/79/90/93/608799093.db2.gz YYRIADBUAFIADJ-UHFFFAOYSA-N -1 3 350.357 3.175 20 0 FGADHM COc1cc(F)cc(CNc2nc3ccccc3cc2-c2nn[n-]n2)c1 ZINC000826180837 608799095 /nfs/dbraw/zinc/79/90/95/608799095.db2.gz YYRIADBUAFIADJ-UHFFFAOYSA-N -1 3 350.357 3.175 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1[C@H](C)c2ccc(F)cc2C[C@@H]1C ZINC000826244409 608826132 /nfs/dbraw/zinc/82/61/32/608826132.db2.gz RBHZWZRNBUNMON-QWHCGFSZSA-N -1 3 365.412 3.462 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1[C@H](C)c2ccc(F)cc2C[C@@H]1C ZINC000826244409 608826135 /nfs/dbraw/zinc/82/61/35/608826135.db2.gz RBHZWZRNBUNMON-QWHCGFSZSA-N -1 3 365.412 3.462 20 0 FGADHM C[C@@H]1Cc2cc(F)ccc2[C@@H](C)N1C(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825011935 608828165 /nfs/dbraw/zinc/82/81/65/608828165.db2.gz AMRKTPKLXTUYGM-VXGBXAGGSA-N -1 3 351.385 3.154 20 0 FGADHM C[C@@H]1Cc2cc(F)ccc2[C@@H](C)N1C(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825011935 608828166 /nfs/dbraw/zinc/82/81/66/608828166.db2.gz AMRKTPKLXTUYGM-VXGBXAGGSA-N -1 3 351.385 3.154 20 0 FGADHM Cc1cc(C(=O)Nc2sc(C)c(C)c2-c2nnn[n-]2)nn1[C@H](C)C1CC1 ZINC000826349451 609145360 /nfs/dbraw/zinc/14/53/60/609145360.db2.gz IBNONQVGYWUQRZ-SNVBAGLBSA-N -1 3 371.470 3.273 20 0 FGADHM Cc1cc(C(=O)Nc2sc(C)c(C)c2-c2nn[n-]n2)nn1[C@H](C)C1CC1 ZINC000826349451 609145362 /nfs/dbraw/zinc/14/53/62/609145362.db2.gz IBNONQVGYWUQRZ-SNVBAGLBSA-N -1 3 371.470 3.273 20 0 FGADHM COc1cc(N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc(OC)c1OC ZINC000826180572 609160889 /nfs/dbraw/zinc/16/08/89/609160889.db2.gz NBMJBYLXNZYZRT-NSHDSACASA-N -1 3 355.398 3.066 20 0 FGADHM COc1cc(N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc(OC)c1OC ZINC000826180572 609160890 /nfs/dbraw/zinc/16/08/90/609160890.db2.gz NBMJBYLXNZYZRT-NSHDSACASA-N -1 3 355.398 3.066 20 0 FGADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)[C@@H]2C[C@@H]2C2CC2)c1-c1nnn[n-]1 ZINC000826233676 609168259 /nfs/dbraw/zinc/16/82/59/609168259.db2.gz QYSQHESKCRPOQR-HZPDHXFCSA-N -1 3 362.437 3.259 20 0 FGADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)[C@@H]2C[C@@H]2C2CC2)c1-c1nn[n-]n1 ZINC000826233676 609168260 /nfs/dbraw/zinc/16/82/60/609168260.db2.gz QYSQHESKCRPOQR-HZPDHXFCSA-N -1 3 362.437 3.259 20 0 FGADHM CC(C)n1cc2c(n1)[C@H](Nc1ncc(-c3nnn[n-]3)cc1Cl)CCC2 ZINC000824371474 609171716 /nfs/dbraw/zinc/17/17/16/609171716.db2.gz HADIMZUZIQTHAX-CYBMUJFWSA-N -1 3 358.837 3.182 20 0 FGADHM CC(C)n1cc2c(n1)[C@H](Nc1ncc(-c3nn[n-]n3)cc1Cl)CCC2 ZINC000824371474 609171718 /nfs/dbraw/zinc/17/17/18/609171718.db2.gz HADIMZUZIQTHAX-CYBMUJFWSA-N -1 3 358.837 3.182 20 0 FGADHM CN(C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1c2ccccc2-c2ccccc21 ZINC000825825425 609221704 /nfs/dbraw/zinc/22/17/04/609221704.db2.gz AXIUASGBLVMIFV-UHFFFAOYSA-N -1 3 356.389 3.037 20 0 FGADHM CN(C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1c2ccccc2-c2ccccc21 ZINC000825825425 609221706 /nfs/dbraw/zinc/22/17/06/609221706.db2.gz AXIUASGBLVMIFV-UHFFFAOYSA-N -1 3 356.389 3.037 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N[C@@H]1CCCOc2cc(F)ccc21 ZINC000826453012 609233162 /nfs/dbraw/zinc/23/31/62/609233162.db2.gz RNOUCVDPUMBZEY-OAHLLOKOSA-N -1 3 368.372 3.041 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N[C@@H]1CCCOc2cc(F)ccc21 ZINC000826453012 609233164 /nfs/dbraw/zinc/23/31/64/609233164.db2.gz RNOUCVDPUMBZEY-OAHLLOKOSA-N -1 3 368.372 3.041 20 0 FGADHM CC(C)=CCC[C@@H](C)Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1 ZINC000824177335 609241720 /nfs/dbraw/zinc/24/17/20/609241720.db2.gz HGODVJKQLLGJIG-OAHLLOKOSA-N -1 3 370.501 3.375 20 0 FGADHM CC(C)=CCC[C@@H](C)Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1 ZINC000824177335 609241722 /nfs/dbraw/zinc/24/17/22/609241722.db2.gz HGODVJKQLLGJIG-OAHLLOKOSA-N -1 3 370.501 3.375 20 0 FGADHM CCOC(=O)CN(Cc1cc(-c2nnn[n-]2)cs1)[C@@H](C)c1ccccc1 ZINC000825512129 609260882 /nfs/dbraw/zinc/26/08/82/609260882.db2.gz UYJRZZUHWPWWDW-ZDUSSCGKSA-N -1 3 371.466 3.055 20 0 FGADHM CCOC(=O)CN(Cc1cc(-c2nn[n-]n2)cs1)[C@@H](C)c1ccccc1 ZINC000825512129 609260883 /nfs/dbraw/zinc/26/08/83/609260883.db2.gz UYJRZZUHWPWWDW-ZDUSSCGKSA-N -1 3 371.466 3.055 20 0 FGADHM Cc1ccc(C(=O)NC2CC2)cc1N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826282003 609274559 /nfs/dbraw/zinc/27/45/59/609274559.db2.gz TWMKCYPHTLGRCK-ZDUSSCGKSA-N -1 3 362.437 3.240 20 0 FGADHM Cc1ccc(C(=O)NC2CC2)cc1N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826282003 609274560 /nfs/dbraw/zinc/27/45/60/609274560.db2.gz TWMKCYPHTLGRCK-ZDUSSCGKSA-N -1 3 362.437 3.240 20 0 FGADHM CC(C)(C)OC(=O)[C@@H](NCc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000824114552 609281355 /nfs/dbraw/zinc/28/13/55/609281355.db2.gz XHTVLGOWYQGTMK-KRWDZBQOSA-N -1 3 365.437 3.039 20 0 FGADHM CC(C)(C)OC(=O)[C@@H](NCc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000824114552 609281357 /nfs/dbraw/zinc/28/13/57/609281357.db2.gz XHTVLGOWYQGTMK-KRWDZBQOSA-N -1 3 365.437 3.039 20 0 FGADHM CC(C)COc1ccc(NC(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)cn1 ZINC000824271673 609299740 /nfs/dbraw/zinc/29/97/40/609299740.db2.gz QPGOMXAVXCQICM-UHFFFAOYSA-N -1 3 372.816 3.202 20 0 FGADHM CC(C)COc1ccc(NC(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)cn1 ZINC000824271673 609299741 /nfs/dbraw/zinc/29/97/41/609299741.db2.gz QPGOMXAVXCQICM-UHFFFAOYSA-N -1 3 372.816 3.202 20 0 FGADHM CCC(CC)[C@@H]1C[C@H](NC(=S)Nc2ccccc2-c2nnn[n-]2)CCO1 ZINC000825106802 609310615 /nfs/dbraw/zinc/31/06/15/609310615.db2.gz IRZIPGMEESWOOP-CJNGLKHVSA-N -1 3 374.514 3.137 20 0 FGADHM CCC(CC)[C@@H]1C[C@H](NC(=S)Nc2ccccc2-c2nn[n-]n2)CCO1 ZINC000825106802 609310616 /nfs/dbraw/zinc/31/06/16/609310616.db2.gz IRZIPGMEESWOOP-CJNGLKHVSA-N -1 3 374.514 3.137 20 0 FGADHM CCc1cc(N[C@H](C(=O)OC)c2cccc(-c3nnn[n-]3)c2)ccc1C ZINC000825700766 609314465 /nfs/dbraw/zinc/31/44/65/609314465.db2.gz RRVSBKCRPOWODZ-KRWDZBQOSA-N -1 3 351.410 3.064 20 0 FGADHM CCc1cc(N[C@H](C(=O)OC)c2cccc(-c3nn[n-]n3)c2)ccc1C ZINC000825700766 609314466 /nfs/dbraw/zinc/31/44/66/609314466.db2.gz RRVSBKCRPOWODZ-KRWDZBQOSA-N -1 3 351.410 3.064 20 0 FGADHM Cc1ccc(CNc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)cc1F ZINC000826288665 609320211 /nfs/dbraw/zinc/32/02/11/609320211.db2.gz RFDWODHKUZMIAR-UHFFFAOYSA-N -1 3 367.363 3.251 20 0 FGADHM COc1ccc(OC)c([C@H](C)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000826211027 609324223 /nfs/dbraw/zinc/32/42/23/609324223.db2.gz MTBVCHSFGUEHAB-RYUDHWBXSA-N -1 3 371.416 3.435 20 0 FGADHM C[C@@H](NCc1cnn(-c2ccccc2)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824626420 609325097 /nfs/dbraw/zinc/32/50/97/609325097.db2.gz OFGGHJNQHIQTBL-CYBMUJFWSA-N -1 3 363.400 3.042 20 0 FGADHM Brc1cc(-c2nnn[n-]2)ccc1Cn1cnc2ccccc21 ZINC000823826670 609325116 /nfs/dbraw/zinc/32/51/16/609325116.db2.gz MOOHQPKZTGPMHR-UHFFFAOYSA-N -1 3 355.199 3.027 20 0 FGADHM Brc1cc(-c2nn[n-]n2)ccc1Cn1cnc2ccccc21 ZINC000823826670 609325118 /nfs/dbraw/zinc/32/51/18/609325118.db2.gz MOOHQPKZTGPMHR-UHFFFAOYSA-N -1 3 355.199 3.027 20 0 FGADHM CC(C)Oc1ncccc1CN[C@@H](C)c1ccc(-c2nnn[n-]2)cc1F ZINC000824337632 609327008 /nfs/dbraw/zinc/32/70/08/609327008.db2.gz DSJRBNWRTKHVOD-LBPRGKRZSA-N -1 3 356.405 3.039 20 0 FGADHM CC(C)Oc1ncccc1CN[C@@H](C)c1ccc(-c2nn[n-]n2)cc1F ZINC000824337632 609327009 /nfs/dbraw/zinc/32/70/09/609327009.db2.gz DSJRBNWRTKHVOD-LBPRGKRZSA-N -1 3 356.405 3.039 20 0 FGADHM c1ccc(-c2nnn[n-]2)c(OCCSCc2ccc3c(c2)COC3)c1 ZINC000826519780 609330103 /nfs/dbraw/zinc/33/01/03/609330103.db2.gz NXIPTNHQXHEWSO-UHFFFAOYSA-N -1 3 354.435 3.209 20 0 FGADHM c1ccc(-c2nn[n-]n2)c(OCCSCc2ccc3c(c2)COC3)c1 ZINC000826519780 609330105 /nfs/dbraw/zinc/33/01/05/609330105.db2.gz NXIPTNHQXHEWSO-UHFFFAOYSA-N -1 3 354.435 3.209 20 0 FGADHM CCC[C@H](C)C(=O)OCc1ccc(-c2nnn[n-]2)cc1Br ZINC000825234231 609342195 /nfs/dbraw/zinc/34/21/95/609342195.db2.gz XPIXZDLXYUMVOX-VIFPVBQESA-N -1 3 353.220 3.109 20 0 FGADHM CCC[C@H](C)C(=O)OCc1ccc(-c2nn[n-]n2)cc1Br ZINC000825234231 609342197 /nfs/dbraw/zinc/34/21/97/609342197.db2.gz XPIXZDLXYUMVOX-VIFPVBQESA-N -1 3 353.220 3.109 20 0 FGADHM Cn1cc(CNc2ccc(F)c(F)c2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826361790 609343523 /nfs/dbraw/zinc/34/35/23/609343523.db2.gz OWRURLDMUUIFHT-UHFFFAOYSA-N -1 3 367.363 3.158 20 0 FGADHM Cn1cc(CNc2ccc(F)c(F)c2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826361790 609343525 /nfs/dbraw/zinc/34/35/25/609343525.db2.gz OWRURLDMUUIFHT-UHFFFAOYSA-N -1 3 367.363 3.158 20 0 FGADHM O=C(N[C@H]1CC=C(c2ccc(F)cc2)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826428854 609348576 /nfs/dbraw/zinc/34/85/76/609348576.db2.gz NDUGKFAWZBZOKS-SFHVURJKSA-N -1 3 363.396 3.372 20 0 FGADHM O=C(N[C@H]1CC=C(c2ccc(F)cc2)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826428854 609348578 /nfs/dbraw/zinc/34/85/78/609348578.db2.gz NDUGKFAWZBZOKS-SFHVURJKSA-N -1 3 363.396 3.372 20 0 FGADHM Cc1ccc(C(=O)N(C)C)cc1N[C@H](C)c1ccc(-c2nnn[n-]2)cc1F ZINC000826281189 609350076 /nfs/dbraw/zinc/35/00/76/609350076.db2.gz HZVOCXIKXHBYBZ-GFCCVEGCSA-N -1 3 368.416 3.189 20 0 FGADHM Cc1ccc(C(=O)N(C)C)cc1N[C@H](C)c1ccc(-c2nn[n-]n2)cc1F ZINC000826281189 609350078 /nfs/dbraw/zinc/35/00/78/609350078.db2.gz HZVOCXIKXHBYBZ-GFCCVEGCSA-N -1 3 368.416 3.189 20 0 FGADHM C[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCc2c(ncn2-c2ccccc2)C1 ZINC000824764918 609368194 /nfs/dbraw/zinc/36/81/94/609368194.db2.gz ZWIHNEIMGMKTLY-OAHLLOKOSA-N -1 3 371.448 3.172 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)C[C@@H]1CCO[C@@H](C(C)C)C1 ZINC000825609336 609371622 /nfs/dbraw/zinc/37/16/22/609371622.db2.gz KAHMPEKVSIOTKO-CZUORRHYSA-N -1 3 374.441 3.012 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)C[C@@H]1CCO[C@@H](C(C)C)C1 ZINC000825609336 609371624 /nfs/dbraw/zinc/37/16/24/609371624.db2.gz KAHMPEKVSIOTKO-CZUORRHYSA-N -1 3 374.441 3.012 20 0 FGADHM C[C@@H]1CC[C@]2(CCN(C(=O)Nc3cc(-c4nnn[n-]4)cn3C(C)(C)C)C2)C1 ZINC000824919164 609377917 /nfs/dbraw/zinc/37/79/17/609377917.db2.gz SGAMUFCBVICJNE-YJYMSZOUSA-N -1 3 371.489 3.467 20 0 FGADHM C[C@@H]1CC[C@]2(CCN(C(=O)Nc3cc(-c4nn[n-]n4)cn3C(C)(C)C)C2)C1 ZINC000824919164 609377919 /nfs/dbraw/zinc/37/79/19/609377919.db2.gz SGAMUFCBVICJNE-YJYMSZOUSA-N -1 3 371.489 3.467 20 0 FGADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)C[C@@H]2CCO[C@H](C(C)C)C2)s1 ZINC000825694682 609380603 /nfs/dbraw/zinc/38/06/03/609380603.db2.gz ZEYITCDSKPSFII-RISCZKNCSA-N -1 3 363.487 3.270 20 0 FGADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)C[C@@H]2CCO[C@H](C(C)C)C2)s1 ZINC000825694682 609380605 /nfs/dbraw/zinc/38/06/05/609380605.db2.gz ZEYITCDSKPSFII-RISCZKNCSA-N -1 3 363.487 3.270 20 0 FGADHM C[C@@H](OC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1nc2ccccc2o1 ZINC000824714054 609402939 /nfs/dbraw/zinc/40/29/39/609402939.db2.gz MCDPCDVPQWCNON-NLYDNYMLSA-N -1 3 361.361 3.326 20 0 FGADHM C[C@@H](OC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1nc2ccccc2o1 ZINC000824714054 609402940 /nfs/dbraw/zinc/40/29/40/609402940.db2.gz MCDPCDVPQWCNON-NLYDNYMLSA-N -1 3 361.361 3.326 20 0 FGADHM C[C@H](NC(=O)N1CC[C@@]2(CC[C@@H](C)C2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000824919044 609404155 /nfs/dbraw/zinc/40/41/55/609404155.db2.gz RMLJJDPEZMXRMD-BIENJYKASA-N -1 3 354.458 3.149 20 0 FGADHM C[C@H](NC(=O)N1CC[C@@]2(CC[C@@H](C)C2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000824919044 609404156 /nfs/dbraw/zinc/40/41/56/609404156.db2.gz RMLJJDPEZMXRMD-BIENJYKASA-N -1 3 354.458 3.149 20 0 FGADHM CC[C@H]1C[C@H](CC(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)CCO1 ZINC000825184632 609405377 /nfs/dbraw/zinc/40/53/77/609405377.db2.gz XCSPPHWIZGCHBM-RISCZKNCSA-N -1 3 364.833 3.159 20 0 FGADHM CC[C@H]1C[C@H](CC(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)CCO1 ZINC000825184632 609405379 /nfs/dbraw/zinc/40/53/79/609405379.db2.gz XCSPPHWIZGCHBM-RISCZKNCSA-N -1 3 364.833 3.159 20 0 FGADHM O=C(c1ccc(-c2nnn[n-]2)cc1)N1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000826472147 609405830 /nfs/dbraw/zinc/40/58/30/609405830.db2.gz ZEBLOPMHHDPGQA-AWEZNQCLSA-N -1 3 365.412 3.416 20 0 FGADHM O=C(c1ccc(-c2nn[n-]n2)cc1)N1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000826472147 609405832 /nfs/dbraw/zinc/40/58/32/609405832.db2.gz ZEBLOPMHHDPGQA-AWEZNQCLSA-N -1 3 365.412 3.416 20 0 FGADHM Cc1ccc(N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)c(C)c1 ZINC000826291414 609406181 /nfs/dbraw/zinc/40/61/81/609406181.db2.gz FDSPWYWQCZJBED-SFHVURJKSA-N -1 3 362.437 3.091 20 0 FGADHM Cc1ccc(N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)c(C)c1 ZINC000826291414 609406184 /nfs/dbraw/zinc/40/61/84/609406184.db2.gz FDSPWYWQCZJBED-SFHVURJKSA-N -1 3 362.437 3.091 20 0 FGADHM Cc1cccc(N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)c1C ZINC000826299813 609406640 /nfs/dbraw/zinc/40/66/40/609406640.db2.gz WLFRISPZELKPFZ-GOSISDBHSA-N -1 3 362.437 3.091 20 0 FGADHM Cc1cccc(N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)c1C ZINC000826299813 609406641 /nfs/dbraw/zinc/40/66/41/609406641.db2.gz WLFRISPZELKPFZ-GOSISDBHSA-N -1 3 362.437 3.091 20 0 FGADHM CC(C)[C@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1ccc(Cl)cc1F ZINC000824193361 609417609 /nfs/dbraw/zinc/41/76/09/609417609.db2.gz XQJQXRVWWWRQRW-AWEZNQCLSA-N -1 3 362.796 3.114 20 0 FGADHM CC(C)[C@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1ccc(Cl)cc1F ZINC000824193361 609417612 /nfs/dbraw/zinc/41/76/12/609417612.db2.gz XQJQXRVWWWRQRW-AWEZNQCLSA-N -1 3 362.796 3.114 20 0 FGADHM Cc1cc(Cl)ccc1O[C@@H](C)C(=O)OCc1ccccc1-c1nnn[n-]1 ZINC000826267597 609450987 /nfs/dbraw/zinc/45/09/87/609450987.db2.gz MIQOODIQKKOZPJ-LBPRGKRZSA-N -1 3 372.812 3.339 20 0 FGADHM Cc1cc(Cl)ccc1O[C@@H](C)C(=O)OCc1ccccc1-c1nn[n-]n1 ZINC000826267597 609450989 /nfs/dbraw/zinc/45/09/89/609450989.db2.gz MIQOODIQKKOZPJ-LBPRGKRZSA-N -1 3 372.812 3.339 20 0 FGADHM CC[C@@H](C)NC(=O)[C@@H](C)Sc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000825067251 609452076 /nfs/dbraw/zinc/45/20/76/609452076.db2.gz IWENQTNGFFDILI-RKDXNWHRSA-N -1 3 373.404 3.281 20 0 FGADHM CC[C@@H](C)NC(=O)[C@@H](C)Sc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000825067251 609452078 /nfs/dbraw/zinc/45/20/78/609452078.db2.gz IWENQTNGFFDILI-RKDXNWHRSA-N -1 3 373.404 3.281 20 0 FGADHM COc1ccccc1-c1cccc(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)c1 ZINC000826218366 609458759 /nfs/dbraw/zinc/45/87/59/609458759.db2.gz ZVWLXBABMDCATN-UHFFFAOYSA-N -1 3 360.377 3.123 20 0 FGADHM COc1ccccc1-c1cccc(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)c1 ZINC000826218366 609458762 /nfs/dbraw/zinc/45/87/62/609458762.db2.gz ZVWLXBABMDCATN-UHFFFAOYSA-N -1 3 360.377 3.123 20 0 FGADHM COc1ccc(N(Cc2ccccc2)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)cc1 ZINC000826209020 609459131 /nfs/dbraw/zinc/45/91/31/609459131.db2.gz JPWHEOMPTMKBLX-UHFFFAOYSA-N -1 3 374.404 3.050 20 0 FGADHM COc1ccc(N(Cc2ccccc2)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)cc1 ZINC000826209020 609459132 /nfs/dbraw/zinc/45/91/32/609459132.db2.gz JPWHEOMPTMKBLX-UHFFFAOYSA-N -1 3 374.404 3.050 20 0 FGADHM CCOc1cc2c(cc1NCc1cccc(-c3nnn[n-]3)c1F)O[C@@H](C)C2 ZINC000825620418 609475372 /nfs/dbraw/zinc/47/53/72/609475372.db2.gz AYDWENWISDHBAM-NSHDSACASA-N -1 3 369.400 3.340 20 0 FGADHM CCOc1cc2c(cc1NCc1cccc(-c3nn[n-]n3)c1F)O[C@@H](C)C2 ZINC000825620418 609475373 /nfs/dbraw/zinc/47/53/73/609475373.db2.gz AYDWENWISDHBAM-NSHDSACASA-N -1 3 369.400 3.340 20 0 FGADHM CC(=O)c1cc(Br)ccc1NCc1ccccc1-c1nnn[n-]1 ZINC000824009608 609485466 /nfs/dbraw/zinc/48/54/66/609485466.db2.gz BBYUXBUTPOPLRD-UHFFFAOYSA-N -1 3 372.226 3.444 20 0 FGADHM CC(=O)c1cc(Br)ccc1NCc1ccccc1-c1nn[n-]n1 ZINC000824009608 609485468 /nfs/dbraw/zinc/48/54/68/609485468.db2.gz BBYUXBUTPOPLRD-UHFFFAOYSA-N -1 3 372.226 3.444 20 0 FGADHM CCc1c(C)sc(NC(=O)c2c(C)noc2C2CC2)c1-c1nnn[n-]1 ZINC000825688381 609499791 /nfs/dbraw/zinc/49/97/91/609499791.db2.gz XEUBUOGFHNBZAF-UHFFFAOYSA-N -1 3 358.427 3.225 20 0 FGADHM CCc1c(C)sc(NC(=O)c2c(C)noc2C2CC2)c1-c1nn[n-]n1 ZINC000825688381 609499793 /nfs/dbraw/zinc/49/97/93/609499793.db2.gz XEUBUOGFHNBZAF-UHFFFAOYSA-N -1 3 358.427 3.225 20 0 FGADHM Cc1ccccc1C1=CCN(C(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)C1 ZINC000826306880 609502971 /nfs/dbraw/zinc/50/29/71/609502971.db2.gz OOPGTAJNFHFDHR-UHFFFAOYSA-N -1 3 365.824 3.368 20 0 FGADHM Cc1ccccc1C1=CCN(C(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)C1 ZINC000826306880 609502974 /nfs/dbraw/zinc/50/29/74/609502974.db2.gz OOPGTAJNFHFDHR-UHFFFAOYSA-N -1 3 365.824 3.368 20 0 FGADHM Cc1cc(C(=O)O[C@@H](C)c2ccccc2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826260751 609511150 /nfs/dbraw/zinc/51/11/50/609511150.db2.gz CXITWCBEPGNNSM-AWEZNQCLSA-N -1 3 374.404 3.279 20 0 FGADHM Cc1cc(C(=O)O[C@@H](C)c2ccccc2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826260751 609511152 /nfs/dbraw/zinc/51/11/52/609511152.db2.gz CXITWCBEPGNNSM-AWEZNQCLSA-N -1 3 374.404 3.279 20 0 FGADHM CCN(C(=O)c1cc(C)n(-c2cccc(-c3nnn[n-]3)c2)n1)c1ccccc1 ZINC000825379280 609512337 /nfs/dbraw/zinc/51/23/37/609512337.db2.gz FVUWYLOTPVJKDV-UHFFFAOYSA-N -1 3 373.420 3.028 20 0 FGADHM CCN(C(=O)c1cc(C)n(-c2cccc(-c3nn[n-]n3)c2)n1)c1ccccc1 ZINC000825379280 609512338 /nfs/dbraw/zinc/51/23/38/609512338.db2.gz FVUWYLOTPVJKDV-UHFFFAOYSA-N -1 3 373.420 3.028 20 0 FGADHM Brc1cc(-c2nnn[n-]2)ccc1CS[C@@H]1CCCOC1 ZINC000823821602 609525232 /nfs/dbraw/zinc/52/52/32/609525232.db2.gz WWWOVQDOZFBANO-LLVKDONJSA-N -1 3 355.261 3.041 20 0 FGADHM Brc1cc(-c2nn[n-]n2)ccc1CS[C@@H]1CCCOC1 ZINC000823821602 609525234 /nfs/dbraw/zinc/52/52/34/609525234.db2.gz WWWOVQDOZFBANO-LLVKDONJSA-N -1 3 355.261 3.041 20 0 FGADHM Cc1csc(CCCCNc2ncc(Cl)c(C)c2-c2nnn[n-]2)n1 ZINC000826320728 609547748 /nfs/dbraw/zinc/54/77/48/609547748.db2.gz BHPYMFLKINQENJ-UHFFFAOYSA-N -1 3 363.878 3.423 20 0 FGADHM Cc1csc(CCCCNc2ncc(Cl)c(C)c2-c2nn[n-]n2)n1 ZINC000826320728 609547749 /nfs/dbraw/zinc/54/77/49/609547749.db2.gz BHPYMFLKINQENJ-UHFFFAOYSA-N -1 3 363.878 3.423 20 0 FGADHM Cc1c(Cl)cnc(N2C[C@@H](c3ccccc3)OC[C@H]2C)c1-c1nnn[n-]1 ZINC000826237378 609569898 /nfs/dbraw/zinc/56/98/98/609569898.db2.gz XRLVDSOZFHNTPA-ABAIWWIYSA-N -1 3 370.844 3.190 20 0 FGADHM Cc1c(Cl)cnc(N2C[C@@H](c3ccccc3)OC[C@H]2C)c1-c1nn[n-]n1 ZINC000826237378 609569900 /nfs/dbraw/zinc/56/99/00/609569900.db2.gz XRLVDSOZFHNTPA-ABAIWWIYSA-N -1 3 370.844 3.190 20 0 FGADHM Cc1ccnc(N2CCc3cc(Cl)cc(Cl)c3C2)c1-c1nnn[n-]1 ZINC000826311660 609572247 /nfs/dbraw/zinc/57/22/47/609572247.db2.gz KJLIZFIWJZKEJT-UHFFFAOYSA-N -1 3 361.236 3.440 20 0 FGADHM Cc1ccnc(N2CCc3cc(Cl)cc(Cl)c3C2)c1-c1nn[n-]n1 ZINC000826311660 609572249 /nfs/dbraw/zinc/57/22/49/609572249.db2.gz KJLIZFIWJZKEJT-UHFFFAOYSA-N -1 3 361.236 3.440 20 0 FGADHM Cc1c(Cl)cnc(NC[C@@H](c2cccnc2)C(C)C)c1-c1nnn[n-]1 ZINC000826239823 609572535 /nfs/dbraw/zinc/57/25/35/609572535.db2.gz RFSGHKLCXXKMPK-CYBMUJFWSA-N -1 3 357.849 3.470 20 0 FGADHM Cc1c(Cl)cnc(NC[C@@H](c2cccnc2)C(C)C)c1-c1nn[n-]n1 ZINC000826239823 609572537 /nfs/dbraw/zinc/57/25/37/609572537.db2.gz RFSGHKLCXXKMPK-CYBMUJFWSA-N -1 3 357.849 3.470 20 0 FGADHM Cc1ccnc(NCc2cn(-c3ccccc3)nc2C(C)C)c1-c1nnn[n-]1 ZINC000826314693 609576006 /nfs/dbraw/zinc/57/60/06/609576006.db2.gz JCJODZBJEIFUPE-UHFFFAOYSA-N -1 3 374.452 3.491 20 0 FGADHM Cc1ccnc(NCc2cn(-c3ccccc3)nc2C(C)C)c1-c1nn[n-]n1 ZINC000826314693 609576010 /nfs/dbraw/zinc/57/60/10/609576010.db2.gz JCJODZBJEIFUPE-UHFFFAOYSA-N -1 3 374.452 3.491 20 0 FGADHM CCO[C@@H]1C[C@@H](N(C)c2ncc(Cl)c(C)c2-c2nnn[n-]2)C12CCC2 ZINC000825582385 609576616 /nfs/dbraw/zinc/57/66/16/609576616.db2.gz KKZRFRJNXGKGLC-CHWSQXEVSA-N -1 3 362.865 3.007 20 0 FGADHM CCO[C@@H]1C[C@@H](N(C)c2ncc(Cl)c(C)c2-c2nn[n-]n2)C12CCC2 ZINC000825582385 609576617 /nfs/dbraw/zinc/57/66/17/609576617.db2.gz KKZRFRJNXGKGLC-CHWSQXEVSA-N -1 3 362.865 3.007 20 0 FGADHM CCO[C@@H]1C[C@H](N(C)c2ncc(Cl)c(C)c2-c2nnn[n-]2)C12CCC2 ZINC000825582387 609576650 /nfs/dbraw/zinc/57/66/50/609576650.db2.gz KKZRFRJNXGKGLC-QWHCGFSZSA-N -1 3 362.865 3.007 20 0 FGADHM CCO[C@@H]1C[C@H](N(C)c2ncc(Cl)c(C)c2-c2nn[n-]n2)C12CCC2 ZINC000825582387 609576652 /nfs/dbraw/zinc/57/66/52/609576652.db2.gz KKZRFRJNXGKGLC-QWHCGFSZSA-N -1 3 362.865 3.007 20 0 FGADHM CCC(CC)(CC)NC(=O)c1cc(C)n(-c2cccc(-c3nnn[n-]3)c2)n1 ZINC000825090326 609586675 /nfs/dbraw/zinc/58/66/75/609586675.db2.gz WXPPRXABFYCJGE-UHFFFAOYSA-N -1 3 367.457 3.059 20 0 FGADHM CCC(CC)(CC)NC(=O)c1cc(C)n(-c2cccc(-c3nn[n-]n3)c2)n1 ZINC000825090326 609586678 /nfs/dbraw/zinc/58/66/78/609586678.db2.gz WXPPRXABFYCJGE-UHFFFAOYSA-N -1 3 367.457 3.059 20 0 FGADHM CC(C)Oc1cc(C(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)ccn1 ZINC000824315500 609619788 /nfs/dbraw/zinc/61/97/88/609619788.db2.gz PTRNICFDTQFEIH-UHFFFAOYSA-N -1 3 373.800 3.059 20 0 FGADHM CC(C)Oc1cc(C(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)ccn1 ZINC000824315500 609619790 /nfs/dbraw/zinc/61/97/90/609619790.db2.gz PTRNICFDTQFEIH-UHFFFAOYSA-N -1 3 373.800 3.059 20 0 FGADHM CC[C@H](C)[C@@H](C)C(=O)OCc1c(-c2nnn[n-]2)c(C)nn1-c1ccccc1 ZINC000825059775 609640782 /nfs/dbraw/zinc/64/07/82/609640782.db2.gz KIRUMPVPQUPDCX-QWHCGFSZSA-N -1 3 368.441 3.086 20 0 FGADHM CC(=O)Nc1cccc(NC(=O)COC(=O)c2cc(Cl)c(Cl)[n-]2)c1 ZINC000011809131 695602559 /nfs/dbraw/zinc/60/25/59/695602559.db2.gz FHVKOOCKKKZTFL-UHFFFAOYSA-N -1 3 370.192 3.075 20 0 FGADHM O=C(COc1ccc(F)cc1)N[N-]C(=O)c1cc(Cl)sc1Cl ZINC000018101450 695635654 /nfs/dbraw/zinc/63/56/54/695635654.db2.gz BAFISNKQPBKXQJ-UHFFFAOYSA-N -1 3 363.197 3.034 20 0 FGADHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]C(C)(C)C ZINC000024231671 695666711 /nfs/dbraw/zinc/66/67/11/695666711.db2.gz XJJUZWHYFUOMLT-UHFFFAOYSA-N -1 3 356.669 3.188 20 0 FGADHM CCOC(=O)/C=C/c1ccc([N-]S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000028790950 695706087 /nfs/dbraw/zinc/70/60/87/695706087.db2.gz BTDVWDVNNKLIOX-AWNIVKPZSA-N -1 3 361.419 3.072 20 0 FGADHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(C)cc2C)ccc1F ZINC000029057727 695708910 /nfs/dbraw/zinc/70/89/10/695708910.db2.gz XNWPVZZKDFFJBS-UHFFFAOYSA-N -1 3 362.426 3.159 20 0 FGADHM CC[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1OC ZINC000030363365 695721950 /nfs/dbraw/zinc/72/19/50/695721950.db2.gz BGUQMMNFACEJPT-CYBMUJFWSA-N -1 3 350.396 3.033 20 0 FGADHM C[C@H](N(C)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)C(C)(C)C ZINC000030420578 695722849 /nfs/dbraw/zinc/72/28/49/695722849.db2.gz ZZDZISYWVGXXJB-LBPRGKRZSA-N -1 3 372.506 3.409 20 0 FGADHM COc1cc2c(cc1OC)C(=N[N-]c1ncc(Cl)cc1Cl)C(=O)N2 ZINC000043928203 695798888 /nfs/dbraw/zinc/79/88/88/695798888.db2.gz OKCQLJLJNSYVJS-UHFFFAOYSA-N -1 3 367.192 3.174 20 0 FGADHM O=C(N[N-]C(=O)c1ccccc1F)N[C@@H]1CCSc2ccc(F)cc21 ZINC000045234026 695818224 /nfs/dbraw/zinc/81/82/24/695818224.db2.gz NUMBBEZWCLLCIY-CQSZACIVSA-N -1 3 363.389 3.146 20 0 FGADHM Cc1csc(CC[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)n1 ZINC000045808058 695826700 /nfs/dbraw/zinc/82/67/00/695826700.db2.gz CUSIWXSDMAVCCU-UHFFFAOYSA-N -1 3 351.280 3.279 20 0 FGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)c2ccccc2)ccc1F ZINC000046112820 695832937 /nfs/dbraw/zinc/83/29/37/695832937.db2.gz AZKLDZRYYBBNLO-CYBMUJFWSA-N -1 3 364.442 3.003 20 0 FGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@@H](C)C(C)(C)C)ccc1F ZINC000046201808 695835116 /nfs/dbraw/zinc/83/51/16/695835116.db2.gz MZOCXUZKFDMNFZ-LBPRGKRZSA-N -1 3 358.479 3.019 20 0 FGADHM Cc1nc(C)c(CC(=O)OCc2csc(C3CCCCC3)n2)c(=O)[n-]1 ZINC000046413471 695839328 /nfs/dbraw/zinc/83/93/28/695839328.db2.gz TWAJXCIZGYDOHS-UHFFFAOYSA-N -1 3 361.467 3.177 20 0 FGADHM C[C@@H](Sc1ccccc1Cl)C(=O)N[N-]C(=O)c1ccccc1F ZINC000048185266 695874373 /nfs/dbraw/zinc/87/43/73/695874373.db2.gz SIVWWTAIVYQHEF-SNVBAGLBSA-N -1 3 352.818 3.421 20 0 FGADHM O=C(NCCNC(=O)c1ccc([O-])cc1)c1sc2ccccc2c1Cl ZINC000053741636 695932934 /nfs/dbraw/zinc/93/29/34/695932934.db2.gz IWZLGYMIASXOOV-UHFFFAOYSA-N -1 3 374.849 3.420 20 0 FGADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H](C)CC(C)(C)c1ccccc1 ZINC000069043757 695946725 /nfs/dbraw/zinc/94/67/25/695946725.db2.gz OJDYAEZVUQJYKL-GFCCVEGCSA-N -1 3 369.918 3.417 20 0 FGADHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1cc(Cl)c2c(c1)OCCCO2 ZINC000073973971 695975737 /nfs/dbraw/zinc/97/57/37/695975737.db2.gz BKRKETQGDOSGKB-UHFFFAOYSA-N -1 3 360.757 3.132 20 0 FGADHM CC[C@H]1CCC[C@H](NC(=O)N[N-]C(=O)c2ccccc2Br)C1 ZINC000077856272 700267142 /nfs/dbraw/zinc/26/71/42/700267142.db2.gz SSQZFPKXLKKXEK-RYUDHWBXSA-N -1 3 368.275 3.362 20 0 FGADHM CC[C@H](C)C[C@H](C)NC(=O)N[N-]C(=O)c1ccccc1Br ZINC000074787515 700199597 /nfs/dbraw/zinc/19/95/97/700199597.db2.gz TVYWHYFBBXVOCO-QWRGUYRKSA-N -1 3 356.264 3.218 20 0 FGADHM CCCc1ccc(S(=O)(=O)[N-]c2ccc(N3CCOC3=O)cc2)cc1 ZINC000079835098 700306119 /nfs/dbraw/zinc/30/61/19/700306119.db2.gz SMKIELNVNDHIMV-UHFFFAOYSA-N -1 3 360.435 3.397 20 0 FGADHM O=S(=O)([N-]Cc1ccc(F)cc1F)c1cnc(Cl)c(Cl)c1 ZINC000081673665 700338949 /nfs/dbraw/zinc/33/89/49/700338949.db2.gz 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LCYKAMLGVUZGTP-HNNXBMFYSA-N -1 3 361.463 3.407 20 0 FGADHM COC(=O)c1sc(S(=O)(=O)[N-]CCC2=CCCC2)c(C)c1Cl ZINC000788655030 725079010 /nfs/dbraw/zinc/07/90/10/725079010.db2.gz UKHSSMUNNDNWLF-UHFFFAOYSA-N -1 3 363.888 3.275 20 0 FGADHM COC(=O)c1sc(S(=O)(=O)[N-][C@@H](C)CCC2CC2)c(C)c1Cl ZINC000788665940 725079706 /nfs/dbraw/zinc/07/97/06/725079706.db2.gz JUXKLSYNZQDKMX-QMMMGPOBSA-N -1 3 365.904 3.354 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]C[C@]2(O)CCCc3ccccc32)sc1Cl ZINC000788900202 725094543 /nfs/dbraw/zinc/09/45/43/725094543.db2.gz KBTRGGWJSRGFBF-MRXNPFEDSA-N -1 3 371.911 3.212 20 0 FGADHM CN(Cc1ccc(Cl)nc1)C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000806389279 725126996 /nfs/dbraw/zinc/12/69/96/725126996.db2.gz OHQBBLSVUVJTFB-UHFFFAOYSA-N -1 3 363.751 3.127 20 0 FGADHM CCS[C@H](C)c1noc(COC(=O)c2n[n-]c3c2cccc3OC)n1 ZINC000808676217 725213082 /nfs/dbraw/zinc/21/30/82/725213082.db2.gz HPWQIHMDMJQSPF-SECBINFHSA-N -1 3 362.411 3.126 20 0 FGADHM CCS[C@H](C)c1noc(COC(=O)c2[n-]nc3c2cccc3OC)n1 ZINC000808676217 725213084 /nfs/dbraw/zinc/21/30/84/725213084.db2.gz HPWQIHMDMJQSPF-SECBINFHSA-N -1 3 362.411 3.126 20 0 FGADHM COc1ccc(CN2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)c(Cl)c1 ZINC000810072723 725287050 /nfs/dbraw/zinc/28/70/50/725287050.db2.gz OBYPUWJUKSDXSP-LLVKDONJSA-N -1 3 364.795 3.239 20 0 FGADHM CCN(CCCNC(=O)c1cc([O-])ccc1Cl)C(=O)OC(C)(C)C ZINC000810110034 725289533 /nfs/dbraw/zinc/28/95/33/725289533.db2.gz NTMKPDMJMHYCDG-UHFFFAOYSA-N -1 3 356.850 3.423 20 0 FGADHM CC(C)(C)OC(=O)N1CC([C@H](F)C(=O)Nc2cc(Cl)ccc2[O-])C1 ZINC000810189427 725295579 /nfs/dbraw/zinc/29/55/79/725295579.db2.gz DGALYOALPOGFJT-ZDUSSCGKSA-N -1 3 358.797 3.189 20 0 FGADHM CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)c2cc([O-])ccc2Cl)C1 ZINC000810406940 725306489 /nfs/dbraw/zinc/30/64/89/725306489.db2.gz ZGYMCZLGBXZNAM-NSHDSACASA-N -1 3 354.834 3.175 20 0 FGADHM C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1cc([O-])ccc1Cl ZINC000810709686 725324502 /nfs/dbraw/zinc/32/45/02/725324502.db2.gz GXFTXMPJWUDBMV-NEPJUHHUSA-N -1 3 368.861 3.421 20 0 FGADHM CC(C)(C)SCCCC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000810899745 725333619 /nfs/dbraw/zinc/33/36/19/725333619.db2.gz OZPULRRYAPQAKZ-LBPRGKRZSA-N -1 3 368.465 3.215 20 0 FGADHM CC(C)=C[C@@H]1[C@@H](C(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)C1(C)C ZINC000810902341 725333654 /nfs/dbraw/zinc/33/36/54/725333654.db2.gz HBCSCXJAVKHPCF-MCIONIFRSA-N -1 3 360.420 3.142 20 0 FGADHM COCc1ccc(S(=O)(=O)[N-]c2cc(C)cnc2Br)cc1 ZINC000812322397 725393853 /nfs/dbraw/zinc/39/38/53/725393853.db2.gz CCDBEYVLNMBLHD-UHFFFAOYSA-N -1 3 371.256 3.100 20 0 FGADHM C[C@H](CC(=O)[N-]OC[C@@H]1CCOC1)c1ccc(F)c(Br)c1 ZINC000812545386 725399887 /nfs/dbraw/zinc/39/98/87/725399887.db2.gz OFWWTCXQPGAOAF-GHMZBOCLSA-N -1 3 360.223 3.166 20 0 FGADHM COC(=O)[C@@](C)([N-]C(=O)C(F)(F)c1ccccc1)c1ccc(F)cc1 ZINC000813317573 726860900 /nfs/dbraw/zinc/86/09/00/726860900.db2.gz AIAPEGKMESNADX-KRWDZBQOSA-N -1 3 351.324 3.122 20 0 FGADHM CC[C@@H](NCc1c(C)nn(Cc2ccc(Cl)cc2)c1Cl)C(=O)[O-] ZINC000813355062 726864523 /nfs/dbraw/zinc/86/45/23/726864523.db2.gz WSMQUYDFVKXVKH-CQSZACIVSA-N -1 3 356.253 3.499 20 0 FGADHM COc1cc(S(=O)(=O)[N-]C[C@H]2CCCCC(F)(F)C2)cnc1Cl ZINC000813714155 726907938 /nfs/dbraw/zinc/90/79/38/726907938.db2.gz ZXSBWYHUSOPKGN-JTQLQIEISA-N -1 3 368.833 3.238 20 0 FGADHM COC(=O)/C=C/c1ccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2F)cc1 ZINC000814212060 726948571 /nfs/dbraw/zinc/94/85/71/726948571.db2.gz BWUNYNMJCPDSHH-QPJJXVBHSA-N -1 3 371.336 3.091 20 0 FGADHM CC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c2nonc21)c1nc(C)cs1 ZINC000814382757 726960437 /nfs/dbraw/zinc/96/04/37/726960437.db2.gz RGKWUCKPAOVVIC-SECBINFHSA-N -1 3 372.859 3.071 20 0 FGADHM O=S(=O)([N-]CCc1cc2ccccc2s1)c1cccnc1Cl ZINC000815067749 727030797 /nfs/dbraw/zinc/03/07/97/727030797.db2.gz RBVMMQWXFTWUAG-UHFFFAOYSA-N -1 3 352.868 3.471 20 0 FGADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3ccc(Cl)nn3)nc(=O)c2c1C ZINC000815438636 727073518 /nfs/dbraw/zinc/07/35/18/727073518.db2.gz JRLYMUQIVUWHIW-ZETCQYMHSA-N -1 3 364.814 3.375 20 0 FGADHM CC(Cl)(Cl)C(=O)[N-]Cc1nc2cc(Br)ccc2o1 ZINC000816629920 727182354 /nfs/dbraw/zinc/18/23/54/727182354.db2.gz GXBSPSUGPIQSIA-UHFFFAOYSA-N -1 3 352.015 3.400 20 0 FGADHM Cc1cc([C@@](C)(O)CNC(=O)c2cc([O-])cc(C(F)(F)F)c2)c(C)o1 ZINC000816933318 727207294 /nfs/dbraw/zinc/20/72/94/727207294.db2.gz BVCVBKAZTCGZBM-INIZCTEOSA-N -1 3 357.328 3.258 20 0 FGADHM CCC1(CC)CN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)C1 ZINC000818119683 727296592 /nfs/dbraw/zinc/29/65/92/727296592.db2.gz JGPZBJRGHSEXQN-UHFFFAOYSA-N -1 3 370.490 3.165 20 0 FGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H]2CCCC2(C)C)ccc1F ZINC000819174937 727354740 /nfs/dbraw/zinc/35/47/40/727354740.db2.gz OHOGPENQMGRLRA-AWEZNQCLSA-N -1 3 370.490 3.069 20 0 FGADHM COc1cccc(S([O-])=CC(=O)OCc2cccc(OC(C)C)c2)c1 ZINC000820173295 728972247 /nfs/dbraw/zinc/97/22/47/728972247.db2.gz PMYAMLMDURAEEA-RUZDIDTESA-N -1 3 362.447 3.333 20 0 FGADHM C[C@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1cc(F)ccc1F ZINC000820556955 729004006 /nfs/dbraw/zinc/00/40/06/729004006.db2.gz WSDLXBSBRKCGGN-VIFPVBQESA-N -1 3 361.377 3.264 20 0 FGADHM C[C@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1cc(F)ccc1F ZINC000820556955 729004010 /nfs/dbraw/zinc/00/40/10/729004010.db2.gz WSDLXBSBRKCGGN-VIFPVBQESA-N -1 3 361.377 3.264 20 0 FGADHM COc1cccc(S([O-])=CC(=O)OCc2ccccc2OC(C)C)c1 ZINC000821352316 729079520 /nfs/dbraw/zinc/07/95/20/729079520.db2.gz JDPQOHMPERAMOB-VWLOTQADSA-N -1 3 362.447 3.333 20 0 FGADHM Cc1cccc(Cl)c1NC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000822304116 729160690 /nfs/dbraw/zinc/16/06/90/729160690.db2.gz QDFQIQBUQHRVST-LLVKDONJSA-N -1 3 357.801 3.235 20 0 FGADHM Cc1cccc(Cl)c1NC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000822304116 729160692 /nfs/dbraw/zinc/16/06/92/729160692.db2.gz QDFQIQBUQHRVST-LLVKDONJSA-N -1 3 357.801 3.235 20 0 FGADHM CSc1ccc([O-])c(C(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000822383488 729169691 /nfs/dbraw/zinc/16/96/91/729169691.db2.gz PWBQRDAIYPNCKW-UHFFFAOYSA-N -1 3 366.483 3.243 20 0 FGADHM C[C@H](NC(=O)c1sccc1C(F)F)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000822919443 729232417 /nfs/dbraw/zinc/23/24/17/729232417.db2.gz UIHZUBWZGFVZAF-IUCAKERBSA-N -1 3 369.393 3.179 20 0 FGADHM CC(C)c1n[nH]c(CC2CCN(C(=O)c3c([O-])cccc3Cl)CC2)n1 ZINC000824159532 729321892 /nfs/dbraw/zinc/32/18/92/729321892.db2.gz BBWYOZNXDHSHBH-UHFFFAOYSA-N -1 3 362.861 3.382 20 0 FGADHM CC(C)c1nc(CC2CCN(C(=O)c3c([O-])cccc3Cl)CC2)n[nH]1 ZINC000824159532 729321896 /nfs/dbraw/zinc/32/18/96/729321896.db2.gz BBWYOZNXDHSHBH-UHFFFAOYSA-N -1 3 362.861 3.382 20 0 FGADHM C[C@H](NCc1cc(-c2nn[n-]n2)ccc1F)c1nc2ccccc2s1 ZINC000824612216 729350902 /nfs/dbraw/zinc/35/09/02/729350902.db2.gz KXQRKVCJHBIIMY-JTQLQIEISA-N -1 3 354.414 3.466 20 0 FGADHM C[C@H]1CC[C@@H](C(=O)Nc2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)C1 ZINC000824906158 729364348 /nfs/dbraw/zinc/36/43/48/729364348.db2.gz ANUXFTJDGNWNIT-GXFFZTMASA-N -1 3 354.439 3.365 20 0 FGADHM C[C@H]1CC[C@@H](C(=O)Nc2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)C1 ZINC000824906158 729364350 /nfs/dbraw/zinc/36/43/50/729364350.db2.gz ANUXFTJDGNWNIT-GXFFZTMASA-N -1 3 354.439 3.365 20 0 FGADHM CCC(C)(C)C(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000825038892 729368645 /nfs/dbraw/zinc/36/86/45/729368645.db2.gz IQEPHNBFCIGATG-UHFFFAOYSA-N -1 3 359.821 3.081 20 0 FGADHM CCC(C)(C)C(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000825038892 729368646 /nfs/dbraw/zinc/36/86/46/729368646.db2.gz IQEPHNBFCIGATG-UHFFFAOYSA-N -1 3 359.821 3.081 20 0 FGADHM Cc1ccc(Cl)cc1OCC(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000825297708 729377393 /nfs/dbraw/zinc/37/73/93/729377393.db2.gz DDTCZEZVMFATIS-UHFFFAOYSA-N -1 3 361.829 3.107 20 0 FGADHM O=C(NC[C@@H]1CC=CC[C@H]1C(F)(F)F)c1nnc2ccccc2c1[O-] ZINC000825502424 729385797 /nfs/dbraw/zinc/38/57/97/729385797.db2.gz JWXBYSHTZUFMLZ-CMPLNLGQSA-N -1 3 351.328 3.210 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)[C@@H]1CCCCS1 ZINC000825604708 729389154 /nfs/dbraw/zinc/38/91/54/729389154.db2.gz KEYMHLUOCFZAGI-LBPRGKRZSA-N -1 3 368.846 3.110 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)[C@@H]1CCCCS1 ZINC000825604708 729389155 /nfs/dbraw/zinc/38/91/55/729389155.db2.gz KEYMHLUOCFZAGI-LBPRGKRZSA-N -1 3 368.846 3.110 20 0 FGADHM CCc1nsc(Sc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)n1 ZINC000825777577 729395089 /nfs/dbraw/zinc/39/50/89/729395089.db2.gz YSFLKOCZVCWFSE-UHFFFAOYSA-N -1 3 358.374 3.451 20 0 FGADHM CCc1nsc(Sc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)n1 ZINC000825777577 729395091 /nfs/dbraw/zinc/39/50/91/729395091.db2.gz YSFLKOCZVCWFSE-UHFFFAOYSA-N -1 3 358.374 3.451 20 0 FGADHM CN(C(=O)c1ccnc(C2CC2)c1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000825833253 729396762 /nfs/dbraw/zinc/39/67/62/729396762.db2.gz DJTBBCYSDKYFHG-UHFFFAOYSA-N -1 3 354.801 3.069 20 0 FGADHM CN(C(=O)c1ccnc(C2CC2)c1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000825833253 729396763 /nfs/dbraw/zinc/39/67/63/729396763.db2.gz DJTBBCYSDKYFHG-UHFFFAOYSA-N -1 3 354.801 3.069 20 0 FGADHM COc1cc(CSc2nnc(C)c(C)c2-c2nnn[n-]2)ccc1SC ZINC000826180041 729406080 /nfs/dbraw/zinc/40/60/80/729406080.db2.gz 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CSCc1c2ccccc2oc1C(=O)N1CCCc2c(=O)[n-]cnc21 ZINC000893214541 742125326 /nfs/dbraw/zinc/12/53/26/742125326.db2.gz QNVDFDUIBODURG-UHFFFAOYSA-N -1 3 355.419 3.384 20 0 FGADHM CCOC(=O)c1nc([C@H](CC(C)C)NCc2cnc(Cl)c(F)c2)n[n-]1 ZINC000895110968 742376084 /nfs/dbraw/zinc/37/60/84/742376084.db2.gz FTQZKFBVXNWLTL-LBPRGKRZSA-N -1 3 369.828 3.046 20 0 FGADHM CCOC(=O)c1nnc([C@H](CC(C)C)NCc2cnc(Cl)c(F)c2)[n-]1 ZINC000895110968 742376094 /nfs/dbraw/zinc/37/60/94/742376094.db2.gz FTQZKFBVXNWLTL-LBPRGKRZSA-N -1 3 369.828 3.046 20 0 FGADHM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NCc2cnc(Cl)c(F)c2)n1 ZINC000895110968 742376102 /nfs/dbraw/zinc/37/61/02/742376102.db2.gz FTQZKFBVXNWLTL-LBPRGKRZSA-N -1 3 369.828 3.046 20 0 FGADHM CCn1c(C)cc2n[n-]c(NC(=O)c3scnc3C(C)(C)C)c2c1=O ZINC000898028187 742735747 /nfs/dbraw/zinc/73/57/47/742735747.db2.gz QIEJXKAFILMORT-UHFFFAOYSA-N -1 3 359.455 3.059 20 0 FGADHM O=C(CSCc1cccc(Cl)c1)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000898207803 742758351 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/nfs/dbraw/zinc/04/99/74/743049974.db2.gz RSFHDDDUVSKLPX-OLZOCXBDSA-N -1 3 351.809 3.065 20 0 FGADHM O=C([O-])[C@H](CCC(=O)OCc1ccccc1)NCc1ccccc1Cl ZINC000900058032 743052244 /nfs/dbraw/zinc/05/22/44/743052244.db2.gz SKJIRDJEJVQICO-KRWDZBQOSA-N -1 3 361.825 3.406 20 0 FGADHM O=C([O-])[C@H](CCC(=O)OCc1ccccc1)NCc1sccc1Cl ZINC000900058208 743052557 /nfs/dbraw/zinc/05/25/57/743052557.db2.gz XDLAJDBRZFESDT-AWEZNQCLSA-N -1 3 367.854 3.468 20 0 FGADHM CC(C)Oc1cc(Cl)c(CN[C@H](Cc2cc[nH]n2)C(=O)[O-])cc1Cl ZINC000900061787 743053478 /nfs/dbraw/zinc/05/34/78/743053478.db2.gz AGDROOUQLUFGAL-CQSZACIVSA-N -1 3 372.252 3.289 20 0 FGADHM O=C([O-])c1cc2n(n1)CCC[C@H]2NCc1ccc(Cl)c2cccnc12 ZINC000900070295 743056874 /nfs/dbraw/zinc/05/68/74/743056874.db2.gz IGAJPWVKXFTSST-CQSZACIVSA-N -1 3 356.813 3.408 20 0 FGADHM O=C(NCC[C@@H](NC1CC1)C(F)(F)F)c1cc([O-])c2ccccc2c1 ZINC000900817756 743175431 /nfs/dbraw/zinc/17/54/31/743175431.db2.gz SAWVASBJUAWZFY-MRXNPFEDSA-N -1 3 352.356 3.348 20 0 FGADHM 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ZINC000901791083 743641921 /nfs/dbraw/zinc/64/19/21/743641921.db2.gz VCQXRTTXCGAIEB-HNNXBMFYSA-N -1 3 357.241 3.307 20 0 FGADHM CC(C)(C)OC(=O)N1CCC[C@@H]1c1nnc([N-]Cc2cscn2)o1 ZINC000902141282 743713852 /nfs/dbraw/zinc/71/38/52/743713852.db2.gz WSISYHLTBCCSAL-LLVKDONJSA-N -1 3 351.432 3.210 20 0 FGADHM C[C@H](CNCc1cc(C(=O)[O-])co1)Oc1ccccc1Br ZINC000902316608 743730959 /nfs/dbraw/zinc/73/09/59/743730959.db2.gz KSPTVPPRMUFFRX-SNVBAGLBSA-N -1 3 354.200 3.297 20 0 FGADHM COc1ccc(N[C@H](CC(C)C)C2CCOCC2)cc1[N-]S(C)(=O)=O ZINC000902933527 743790393 /nfs/dbraw/zinc/79/03/93/743790393.db2.gz ZIZVRQMJNYVIHJ-MRXNPFEDSA-N -1 3 370.515 3.320 20 0 FGADHM CC(C)CN(Cc1cn(-c2ccc(Cl)cc2)nn1)CC(C)(C)C(=O)[O-] ZINC000903622693 743862826 /nfs/dbraw/zinc/86/28/26/743862826.db2.gz MSKHYRAGBSHVML-UHFFFAOYSA-N -1 3 364.877 3.490 20 0 FGADHM COc1cc(F)c(S(=O)(=O)[N-]c2cc(CN(C)C)ccc2C)cc1F ZINC000903624515 743863447 /nfs/dbraw/zinc/86/34/47/743863447.db2.gz XYJBTDRUKBERBE-UHFFFAOYSA-N -1 3 370.421 3.144 20 0 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/nfs/dbraw/zinc/44/18/08/494441808.db2.gz UTQYQQPJZHYRIG-UHFFFAOYSA-N -1 3 350.418 3.460 20 0 FGADHM O=C([N-]c1nnc(-c2ccco2)s1)c1ccn(-c2ccc(F)cc2)n1 ZINC000073902176 494445509 /nfs/dbraw/zinc/44/55/09/494445509.db2.gz MPCHZFBYNHMPJH-UHFFFAOYSA-N -1 3 355.354 3.375 20 0 FGADHM Cc1noc(C)c1S(=O)(=O)[N-][C@H](c1ccccc1)c1ccc(F)cc1 ZINC000056064984 494449148 /nfs/dbraw/zinc/44/91/48/494449148.db2.gz KCRLMFLDGCJOAQ-QGZVFWFLSA-N -1 3 360.410 3.498 20 0 FGADHM O=C(CCC[N-]S(=O)(=O)c1cccs1)Nc1ccc(Cl)cc1 ZINC000056124430 494458257 /nfs/dbraw/zinc/45/82/57/494458257.db2.gz XGBPWCIZVHPTPS-UHFFFAOYSA-N -1 3 358.872 3.099 20 0 FGADHM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]C[C@@H]2CCCOC2)c1Cl ZINC000056130167 494459042 /nfs/dbraw/zinc/45/90/42/494459042.db2.gz AEPGDDNSHCCROT-NSHDSACASA-N -1 3 352.283 3.315 20 0 FGADHM COc1cccc(C(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)c1F ZINC000090419765 494464221 /nfs/dbraw/zinc/46/42/21/494464221.db2.gz HWOFBRKDVZCKLO-UHFFFAOYSA-N -1 3 353.353 3.145 20 0 FGADHM Cc1nc(C)c(CCC(=O)Nc2ccc(F)c(C(F)(F)F)c2)c(=O)[n-]1 ZINC000067090660 494474069 /nfs/dbraw/zinc/47/40/69/494474069.db2.gz XGOYRGCNCSWOPV-UHFFFAOYSA-N -1 3 357.307 3.116 20 0 FGADHM O=C(CSCC(=O)Nc1cc(Cl)ccc1[O-])Nc1ccc(F)cc1 ZINC000067139021 494482104 /nfs/dbraw/zinc/48/21/04/494482104.db2.gz RYSSPZCAPRYEDU-UHFFFAOYSA-N -1 3 368.817 3.495 20 0 FGADHM CC[C@H]1CN(C(=O)c2ccc3c(c2)C(=O)[N-]C3=O)CC[C@H]1c1ccccc1 ZINC000074284215 494509440 /nfs/dbraw/zinc/50/94/40/494509440.db2.gz IBFYHPVXVDCYFG-WMLDXEAASA-N -1 3 362.429 3.226 20 0 FGADHM Cc1c2ccccc2oc1C(=O)Nc1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000046409038 494525339 /nfs/dbraw/zinc/52/53/39/494525339.db2.gz BHIILKASWACXKC-HXUWFJFHSA-N -1 3 363.373 3.048 20 0 FGADHM CCC[C@H](C(=O)Nc1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1)c1ccccc1 ZINC000046408984 494525359 /nfs/dbraw/zinc/52/53/59/494525359.db2.gz QKSHJQZEVHUJBO-LAUBAEHRSA-N -1 3 365.433 3.264 20 0 FGADHM Cn1ccnc1C[C@H](NC(=O)NCc1ccc([O-])c(F)c1)c1ccccc1 ZINC000074375339 494526706 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Cc1ccccc1OCCCN(C)Cc1c([O-])nnn1-c1ccccc1 ZINC000057089568 494641265 /nfs/dbraw/zinc/64/12/65/494641265.db2.gz PRCDHEOLPVQOHU-UHFFFAOYSA-N -1 3 352.438 3.182 20 0 FGADHM C[C@@H](C(=O)Nc1ccc(Br)cc1)[S@](=O)c1ccc([O-])cc1 ZINC000108084615 494644925 /nfs/dbraw/zinc/64/49/25/494644925.db2.gz KOYGIXJGCFZPEI-CHNSCGDPSA-N -1 3 368.252 3.290 20 0 FGADHM CSc1ccc(OCCN(C)Cc2nc3ccsc3c(=O)[n-]2)cc1 ZINC000131529284 494649164 /nfs/dbraw/zinc/64/91/64/494649164.db2.gz LDKMNZLHYRVZKL-UHFFFAOYSA-N -1 3 361.492 3.217 20 0 FGADHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccccc2F)CCN1Cc1ccccc1 ZINC000080276028 494662867 /nfs/dbraw/zinc/66/28/67/494662867.db2.gz AEGSHTBUNNNDGU-WBVHZDCISA-N -1 3 362.470 3.157 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1cc(F)ccc1F)c1cccc(-n2cccn2)c1 ZINC000074973097 494666145 /nfs/dbraw/zinc/66/61/45/494666145.db2.gz JBKZDJAVZJDHAT-LBPRGKRZSA-N -1 3 363.389 3.190 20 0 FGADHM O=S(=O)([N-]Cc1ncc(-c2ccccc2)o1)c1cc(F)cc(F)c1 ZINC000047280150 494671997 /nfs/dbraw/zinc/67/19/97/494671997.db2.gz 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ZINC000057300090 494709621 /nfs/dbraw/zinc/70/96/21/494709621.db2.gz ZVCPLQUQGOKZAH-ZDUSSCGKSA-N -1 3 362.451 3.488 20 0 FGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)[C@H]1C[C@H]1c1c(F)cccc1F ZINC000116170117 494720574 /nfs/dbraw/zinc/72/05/74/494720574.db2.gz NSAXARFPBPSYJQ-MNOVXSKESA-N -1 3 366.389 3.079 20 0 FGADHM Cc1noc(C(C)(C)[N-]S(=O)(=O)c2cc3cc(Cl)ccc3s2)n1 ZINC000574284433 505737851 /nfs/dbraw/zinc/73/78/51/505737851.db2.gz HFUCXPSHHCXKAK-UHFFFAOYSA-N -1 3 371.871 3.460 20 0 FGADHM CCc1cc(NC(=O)c2n[n-]c(-c3ccccc3)c2Br)n(C)n1 ZINC000116218857 494734464 /nfs/dbraw/zinc/73/44/64/494734464.db2.gz WEUIFDRPEVQCGC-UHFFFAOYSA-N -1 3 374.242 3.387 20 0 FGADHM CCc1cc(NC(=O)c2[n-]nc(-c3ccccc3)c2Br)n(C)n1 ZINC000116218857 494734467 /nfs/dbraw/zinc/73/44/67/494734467.db2.gz WEUIFDRPEVQCGC-UHFFFAOYSA-N -1 3 374.242 3.387 20 0 FGADHM COc1ccc([O-])c(C(=O)Nc2ccc(C(=O)NC3CCCC3)cc2)c1 ZINC000121407782 494741618 /nfs/dbraw/zinc/74/16/18/494741618.db2.gz QIAWIHCYTLKRGW-UHFFFAOYSA-N -1 3 354.406 3.326 20 0 FGADHM CC[C@@H](C)C[C@H](C)NC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000080685315 494766376 /nfs/dbraw/zinc/76/63/76/494766376.db2.gz FJQKYCSBMPYACP-KGLIPLIRSA-N -1 3 356.470 3.014 20 0 FGADHM Cc1cc(C[C@H](C)[N-]S(=O)(=O)c2cccs2)n(-c2ccccc2)n1 ZINC000121468013 494769862 /nfs/dbraw/zinc/76/98/62/494769862.db2.gz PRDJGAZXVLSPJE-AWEZNQCLSA-N -1 3 361.492 3.152 20 0 FGADHM Cc1csc(C(C)(C)[N-]S(=O)(=O)c2cc(F)c(F)cc2F)n1 ZINC000116377769 494769950 /nfs/dbraw/zinc/76/99/50/494769950.db2.gz WVYMOOFFEZKOPO-UHFFFAOYSA-N -1 3 350.387 3.082 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@@H](OC)c3ccc(F)cc3)nc2)n1 ZINC000080701428 494770213 /nfs/dbraw/zinc/77/02/13/494770213.db2.gz WBRIKLTUXSYOTQ-QGZVFWFLSA-N -1 3 368.412 3.333 20 0 FGADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1cnn(-c2ccccc2)c1C(F)(F)F ZINC000121467305 494770383 /nfs/dbraw/zinc/77/03/83/494770383.db2.gz ZYMRGUNGMAZIHC-CYBMUJFWSA-N -1 3 370.331 3.471 20 0 FGADHM O=C([N-]O[C@@H]1CCCCO1)Nc1cnn(-c2ccccc2)c1C(F)(F)F ZINC000121467305 494770386 /nfs/dbraw/zinc/77/03/86/494770386.db2.gz ZYMRGUNGMAZIHC-CYBMUJFWSA-N -1 3 370.331 3.471 20 0 FGADHM COc1ccc2c(c1)[n-]cc(C(=O)Nc1cccc(-c3nnco3)c1)c2=O ZINC000126506948 494775203 /nfs/dbraw/zinc/77/52/03/494775203.db2.gz YBSCZKMTYBESRX-UHFFFAOYSA-N -1 3 362.345 3.251 20 0 FGADHM COc1ccc2c(c1)ncc(C(=O)Nc1cccc(-c3nnco3)c1)c2[O-] ZINC000126506948 494775209 /nfs/dbraw/zinc/77/52/09/494775209.db2.gz YBSCZKMTYBESRX-UHFFFAOYSA-N -1 3 362.345 3.251 20 0 FGADHM CCC[C@@H](Cc1ccccc1)NC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000075708592 494817983 /nfs/dbraw/zinc/81/79/83/494817983.db2.gz PSROMFVQDPUPSB-SFHVURJKSA-N -1 3 360.479 3.199 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N[C@H](C)Cc3ccc(O)cc3)c[n-]c12 ZINC000132154545 494830303 /nfs/dbraw/zinc/83/03/03/494830303.db2.gz FNJIBUPLDCTUMT-GFCCVEGCSA-N -1 3 354.381 3.042 20 0 FGADHM COc1ccc(NC(=O)c2c[n-]nc2-c2ccccc2)cc1NC(C)=O ZINC000026622578 494832876 /nfs/dbraw/zinc/83/28/76/494832876.db2.gz PBCGUXQTBUQDAV-UHFFFAOYSA-N -1 3 350.378 3.296 20 0 FGADHM CN(C[C@H]1COc2ccccc2O1)C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000109190998 494843287 /nfs/dbraw/zinc/84/32/87/494843287.db2.gz RSXMQECMXLTKSC-INIZCTEOSA-N -1 3 353.418 3.183 20 0 FGADHM COc1cc(Cl)c(S(=O)(=O)[N-]CCCC(C)(C)CO)cc1Cl ZINC000121716157 494844773 /nfs/dbraw/zinc/84/47/73/494844773.db2.gz BKHQRUQIMJQAFZ-UHFFFAOYSA-N -1 3 370.298 3.079 20 0 FGADHM CC[C@H](NC(=O)c1cc(=O)[n-]c(C2CC2)n1)c1nc(-c2ccccc2)c[nH]1 ZINC000568650553 505745572 /nfs/dbraw/zinc/74/55/72/505745572.db2.gz QOACMDLEYSSZND-AWEZNQCLSA-N -1 3 363.421 3.331 20 0 FGADHM Cc1ccc(C)c(N(C)Cc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)c1 ZINC000116792359 494853980 /nfs/dbraw/zinc/85/39/80/494853980.db2.gz GDXPUJIJMZWDIM-UHFFFAOYSA-N -1 3 359.433 3.362 20 0 FGADHM CCOC(=O)CC[C@@H](C)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000121767822 494855916 /nfs/dbraw/zinc/85/59/16/494855916.db2.gz WVCBUFHKYCLSHC-SECBINFHSA-N -1 3 354.255 3.004 20 0 FGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)[C@H](CC)Oc1ccccc1F ZINC000093317939 494867476 /nfs/dbraw/zinc/86/74/76/494867476.db2.gz PKOWFIWHTAWRIR-LBPRGKRZSA-N -1 3 364.373 3.349 20 0 FGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)CCCOc1cccc(F)c1 ZINC000093317407 494867775 /nfs/dbraw/zinc/86/77/75/494867775.db2.gz VQBIQPSBBPOYDI-UHFFFAOYSA-N -1 3 364.373 3.351 20 0 FGADHM O=S(=O)([N-]C[C@@H]1CCC[C@@H](O)C1)c1cc(C(F)(F)F)ccc1Cl ZINC000121820212 494867933 /nfs/dbraw/zinc/86/79/33/494867933.db2.gz HCJYHNAXIUCNCP-MWLCHTKSSA-N -1 3 371.808 3.188 20 0 FGADHM NC(=O)CSc1ccccc1[N-]C(=O)c1cc(-c2ccc(F)cc2)on1 ZINC000126963933 494869697 /nfs/dbraw/zinc/86/96/97/494869697.db2.gz OPABALPDJUMOBV-UHFFFAOYSA-N -1 3 371.393 3.310 20 0 FGADHM CC[C@H](C)[C@@H](C(=O)NCCNC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000116975199 494878392 /nfs/dbraw/zinc/87/83/92/494878392.db2.gz YOKSHJQPNMCEKG-HNAYVOBHSA-N -1 3 354.450 3.068 20 0 FGADHM Cc1cc(C)n(Cc2cccc(C(=O)Nc3nnc(-c4ccco4)[n-]3)c2)n1 ZINC000132480697 494881417 /nfs/dbraw/zinc/88/14/17/494881417.db2.gz BGMBXCWIJWQFGY-UHFFFAOYSA-N -1 3 362.393 3.179 20 0 FGADHM Cc1cc(C)n(Cc2cccc(C(=O)Nc3nc(-c4ccco4)n[n-]3)c2)n1 ZINC000132480697 494881419 /nfs/dbraw/zinc/88/14/19/494881419.db2.gz BGMBXCWIJWQFGY-UHFFFAOYSA-N -1 3 362.393 3.179 20 0 FGADHM Cc1cc(C)n(Cc2cccc(C(=O)Nc3n[n-]c(-c4ccco4)n3)c2)n1 ZINC000132480697 494881425 /nfs/dbraw/zinc/88/14/25/494881425.db2.gz BGMBXCWIJWQFGY-UHFFFAOYSA-N -1 3 362.393 3.179 20 0 FGADHM COC(=O)c1ccsc1[N-]C(=O)c1cc(-c2ccc3c(c2)CCO3)no1 ZINC000121891980 494883648 /nfs/dbraw/zinc/88/36/48/494883648.db2.gz WDXWUDCDWCPYSA-UHFFFAOYSA-N -1 3 370.386 3.377 20 0 FGADHM CC(C)Cc1noc(-c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)n1 ZINC000109560279 494890115 /nfs/dbraw/zinc/89/01/15/494890115.db2.gz HQGNQYGVEKFRLK-UHFFFAOYSA-N -1 3 355.435 3.151 20 0 FGADHM CC(C)[C@@H](NC(=O)CSc1n[n-]c(-c2ccccn2)n1)c1ccccc1 ZINC000117112376 494891606 /nfs/dbraw/zinc/89/16/06/494891606.db2.gz PPNCGPBVGJEQFZ-QGZVFWFLSA-N -1 3 367.478 3.472 20 0 FGADHM C[C@@H](Sc1n[n-]c(-c2ccccn2)n1)C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000117113716 494891830 /nfs/dbraw/zinc/89/18/30/494891830.db2.gz VUQPZCRLBCSFMI-VXGBXAGGSA-N -1 3 371.441 3.364 20 0 FGADHM Cc1nc(NC(=O)[C@@H](C)Sc2n[n-]c(-c3ccccn3)n2)sc1C ZINC000117114548 494892990 /nfs/dbraw/zinc/89/29/90/494892990.db2.gz CIYNGUFETKYACB-SNVBAGLBSA-N -1 3 360.468 3.059 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](c2ccccc2)C(F)(F)F)c1 ZINC000121940884 494895333 /nfs/dbraw/zinc/89/53/33/494895333.db2.gz YWLXAAQCVPHRFH-HNNXBMFYSA-N -1 3 352.312 3.384 20 0 FGADHM COc1ccc(CN[C@H](CSCCc2ccccc2)C(=O)[O-])c(F)c1 ZINC000574329864 505748845 /nfs/dbraw/zinc/74/88/45/505748845.db2.gz OLJIGRWAZQTHNN-GOSISDBHSA-N -1 3 363.454 3.353 20 0 FGADHM CCOCCC1(C(=O)Nc2cccc(-c3nc(C)cc(=O)[n-]3)c2)CCC1 ZINC000121986871 494904344 /nfs/dbraw/zinc/90/43/44/494904344.db2.gz IPMVEMRHJSYUEC-UHFFFAOYSA-N -1 3 355.438 3.281 20 0 FGADHM CN(C)CCOc1ccc([N-]S(=O)(=O)c2cc(F)ccc2Cl)cc1 ZINC000093867900 494927857 /nfs/dbraw/zinc/92/78/57/494927857.db2.gz VHBMBMYAKDYBQT-UHFFFAOYSA-N -1 3 372.849 3.220 20 0 FGADHM Cc1csc(CCCC[N-]S(=O)(=O)c2cc(F)c(C)cc2F)n1 ZINC000122132454 494929313 /nfs/dbraw/zinc/92/93/13/494929313.db2.gz YWKZQUIYDLJZEZ-UHFFFAOYSA-N -1 3 360.451 3.339 20 0 FGADHM Cc1ccc(Nc2cccc(C(=O)NCc3ccc([O-])c(F)c3)c2)nn1 ZINC000132950889 494947695 /nfs/dbraw/zinc/94/76/95/494947695.db2.gz JNTUESYXHQYDHU-UHFFFAOYSA-N -1 3 352.369 3.303 20 0 FGADHM COc1ccc(CCNC(=O)c2cc(C)ccc2[O-])cc1OC(F)F ZINC000110113783 494949783 /nfs/dbraw/zinc/94/97/83/494949783.db2.gz KYFAORZUCVMOJH-UHFFFAOYSA-N -1 3 351.349 3.283 20 0 FGADHM CC(=O)c1ccc(S(=O)(=O)[N-]c2c(F)cccc2N2CCCC2)cc1 ZINC000110122444 494951370 /nfs/dbraw/zinc/95/13/70/494951370.db2.gz UKHQIAUVWAKHIV-UHFFFAOYSA-N -1 3 362.426 3.429 20 0 FGADHM CCc1cccc(C(=O)N[C@H](c2noc(C)n2)c2ccccc2F)c1[O-] ZINC000094150560 494955022 /nfs/dbraw/zinc/95/50/22/494955022.db2.gz YLPUIBRWKQLNBT-INIZCTEOSA-N -1 3 355.369 3.305 20 0 FGADHM Cn1ccnc1SCc1cccc(C(=O)NCc2ccc([O-])c(F)c2)c1 ZINC000133038233 494960033 /nfs/dbraw/zinc/96/00/33/494960033.db2.gz PEAFIPVOFGBVKA-UHFFFAOYSA-N -1 3 371.437 3.487 20 0 FGADHM O=C(CCNC(=O)c1ccc2ccccc2c1)NCc1ccc([O-])c(F)c1 ZINC000133058615 494962021 /nfs/dbraw/zinc/96/20/21/494962021.db2.gz GSHJIRWLWHMKRW-UHFFFAOYSA-N -1 3 366.392 3.121 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-][C@H](Cc1ccc(F)cc1)C(C)C ZINC000122460510 494979324 /nfs/dbraw/zinc/97/93/24/494979324.db2.gz LPMJSEJNISBXAW-CQSZACIVSA-N -1 3 357.472 3.441 20 0 FGADHM C[C@H](C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)N(C)C1CC1 ZINC000110727716 495004039 /nfs/dbraw/zinc/00/40/39/495004039.db2.gz PJADDLTVWCLJME-MRVPVSSYSA-N -1 3 371.717 3.408 20 0 FGADHM CC(=O)Oc1ccc(CN2CCC(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000122693367 495017347 /nfs/dbraw/zinc/01/73/47/495017347.db2.gz RPYHTRCZHOJZGW-UHFFFAOYSA-N -1 3 353.418 3.412 20 0 FGADHM O=C(Cn1ccc2ccc(Cl)cc21)Nc1cccc(-c2nnn[n-]2)c1 ZINC000097040804 495019978 /nfs/dbraw/zinc/01/99/78/495019978.db2.gz HCBFKGSGCVMOAU-UHFFFAOYSA-N -1 3 352.785 3.114 20 0 FGADHM O=C(Cn1ccc2ccc(Cl)cc21)Nc1cccc(-c2nn[n-]n2)c1 ZINC000097040804 495019984 /nfs/dbraw/zinc/01/99/84/495019984.db2.gz HCBFKGSGCVMOAU-UHFFFAOYSA-N -1 3 352.785 3.114 20 0 FGADHM COc1ccccc1-c1cccc(NC(=O)Cc2c(C)nc(C)[n-]c2=O)c1 ZINC000110924986 495022137 /nfs/dbraw/zinc/02/21/37/495022137.db2.gz XRTRBYYJZPMCKK-UHFFFAOYSA-N -1 3 363.417 3.244 20 0 FGADHM O=C(CSCc1cccnc1)Nc1ccc(Br)cc1[O-] ZINC000097069322 495022373 /nfs/dbraw/zinc/02/23/73/495022373.db2.gz SEDRVCGCUQNDHX-UHFFFAOYSA-N -1 3 353.241 3.422 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(N(CCOC)Cc3ccccc3)nc2)n1 ZINC000133509317 495022432 /nfs/dbraw/zinc/02/24/32/495022432.db2.gz IODXVGHKRBCJQB-UHFFFAOYSA-N -1 3 364.449 3.047 20 0 FGADHM Cc1cnc([C@@H]([N-]S(=O)(=O)Cc2c(F)cccc2F)C2CC2)s1 ZINC000122885705 495046456 /nfs/dbraw/zinc/04/64/56/495046456.db2.gz MFRSGYXSRITIGK-AWEZNQCLSA-N -1 3 358.435 3.300 20 0 FGADHM Cc1cnc([C@H]([N-]S(=O)(=O)Cc2c(F)cccc2F)C2CC2)s1 ZINC000122885504 495046470 /nfs/dbraw/zinc/04/64/70/495046470.db2.gz MFRSGYXSRITIGK-CQSZACIVSA-N -1 3 358.435 3.300 20 0 FGADHM CCCOc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])cc1 ZINC000123017930 495068306 /nfs/dbraw/zinc/06/83/06/495068306.db2.gz XBTSGHCQDFNGRE-SFHVURJKSA-N -1 3 368.433 3.424 20 0 FGADHM O=c1cc(CN2CCC[C@H](OCc3ccccc3F)C2)nc(C2CC2)[n-]1 ZINC000577585942 505759434 /nfs/dbraw/zinc/75/94/34/505759434.db2.gz VKSOECHUEPQPSW-KRWDZBQOSA-N -1 3 357.429 3.380 20 0 FGADHM Cn1ncc2c1ncc(C(=O)N1CCCCC[C@H]1c1ccccc1)c2[O-] ZINC000119163904 495107614 /nfs/dbraw/zinc/10/76/14/495107614.db2.gz ZKSPFSGBDUUSBJ-KRWDZBQOSA-N -1 3 350.422 3.431 20 0 FGADHM CC[C@@H]1CCN(C(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)C1 ZINC000134156140 495113906 /nfs/dbraw/zinc/11/39/06/495113906.db2.gz BPSCRXPNRVNJQF-GFCCVEGCSA-N -1 3 371.478 3.166 20 0 FGADHM C[C@@H](NC(=O)c1c[n-]c2ccccc2c1=O)c1noc(-c2ccccc2)n1 ZINC000134355132 495138609 /nfs/dbraw/zinc/13/86/09/495138609.db2.gz QMECBJPSWPWHCH-GFCCVEGCSA-N -1 3 360.373 3.069 20 0 FGADHM Cc1ccc(C)c([C@@H]2CCCN2C(=O)c2cnc3c(cnn3C)c2[O-])c1 ZINC000119356040 495149946 /nfs/dbraw/zinc/14/99/46/495149946.db2.gz CNTBYUPOTYHDAY-KRWDZBQOSA-N -1 3 350.422 3.268 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)NCCC[C@@H]3CCCC[C@H]3O)c[n-]c12 ZINC000134472396 495154568 /nfs/dbraw/zinc/15/45/68/495154568.db2.gz RQKZJYWJICRENB-SUMWQHHRSA-N -1 3 360.429 3.037 20 0 FGADHM O=C(N[C@@H](CC(=O)N1CCC[C@@H](F)C1)c1ccccc1)c1ccc([O-])cc1 ZINC000571575543 505764275 /nfs/dbraw/zinc/76/42/75/505764275.db2.gz UPESECIKOTVBIX-MJGOQNOKSA-N -1 3 370.424 3.214 20 0 FGADHM O=C(CCc1ncc(-c2ccccc2)o1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000123629517 495163737 /nfs/dbraw/zinc/16/37/37/495163737.db2.gz VLOXWNSDGWLPQN-UHFFFAOYSA-N -1 3 360.377 3.093 20 0 FGADHM O=C(CCc1ncc(-c2ccccc2)o1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000123629517 495163740 /nfs/dbraw/zinc/16/37/40/495163740.db2.gz VLOXWNSDGWLPQN-UHFFFAOYSA-N -1 3 360.377 3.093 20 0 FGADHM Cc1ccc([O-])c(C(=O)N(Cc2ccccc2)[C@@H](C)CN2CCOCC2)c1 ZINC000102860312 495167087 /nfs/dbraw/zinc/16/70/87/495167087.db2.gz AMGMHKWOQFGPHX-SFHVURJKSA-N -1 3 368.477 3.064 20 0 FGADHM Cc1c(C(=O)Nc2n[n-]c(-c3ccccc3F)n2)cnn1CCC(C)C ZINC000123667755 495169274 /nfs/dbraw/zinc/16/92/74/495169274.db2.gz QTTNYTHKGZBSMB-UHFFFAOYSA-N -1 3 356.405 3.414 20 0 FGADHM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-]c1cc(F)ccc1Cl ZINC000134592609 495172441 /nfs/dbraw/zinc/17/24/41/495172441.db2.gz WVQGIQGNGLSJAS-UHFFFAOYSA-N -1 3 361.753 3.206 20 0 FGADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCOC3(CCCCC3)C2)c(F)cc1F ZINC000134659340 495183247 /nfs/dbraw/zinc/18/32/47/495183247.db2.gz IFFADPPMJJSVIX-CYBMUJFWSA-N -1 3 359.438 3.433 20 0 FGADHM CCc1ccc(S(=O)(=O)[N-]c2cccn(Cc3ccccc3)c2=O)s1 ZINC000123998791 495218862 /nfs/dbraw/zinc/21/88/62/495218862.db2.gz JLTJNVLTMXLFPE-UHFFFAOYSA-N -1 3 374.487 3.321 20 0 FGADHM CC(C)C[C@@H](CCO)C[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000124108453 495235596 /nfs/dbraw/zinc/23/55/96/495235596.db2.gz ZJABSWJDYYPWMN-GFCCVEGCSA-N -1 3 353.406 3.028 20 0 FGADHM CC(C)C[C@@H](CCO)C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000124179413 495246457 /nfs/dbraw/zinc/24/64/57/495246457.db2.gz HDMSJEFMYUGGOT-LLVKDONJSA-N -1 3 354.299 3.316 20 0 FGADHM CC(C)C[C@H](CCO)C[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000124194918 495248784 /nfs/dbraw/zinc/24/87/84/495248784.db2.gz DXQJXDVEVMSHHG-NSHDSACASA-N -1 3 354.299 3.316 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-]CCc1ccc(OCC(C)C)cc1 ZINC000119821452 495249188 /nfs/dbraw/zinc/24/91/88/495249188.db2.gz NBSSKOXZMVLGDU-UHFFFAOYSA-N -1 3 369.508 3.313 20 0 FGADHM O=C(C[C@@H]1CN(Cc2ccccc2)CCO1)Nc1ccc([O-])c(Cl)c1 ZINC000129590639 495267397 /nfs/dbraw/zinc/26/73/97/495267397.db2.gz IMBKPNXLXBECMB-MRXNPFEDSA-N -1 3 360.841 3.275 20 0 FGADHM COc1ccc2c(c1)[n-]cc(C(=O)N1CCC(C3CCOCC3)CC1)c2=O ZINC000124385249 495278765 /nfs/dbraw/zinc/27/87/65/495278765.db2.gz LZOBBCARSNLSBM-UHFFFAOYSA-N -1 3 370.449 3.228 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1cc(-c2ccc(Cl)s2)on1 ZINC000104366295 495280153 /nfs/dbraw/zinc/28/01/53/495280153.db2.gz KDTOMDOQTKOYTN-UHFFFAOYSA-N -1 3 372.797 3.489 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cc(-c2ccc(Cl)s2)on1 ZINC000104366295 495280155 /nfs/dbraw/zinc/28/01/55/495280155.db2.gz KDTOMDOQTKOYTN-UHFFFAOYSA-N -1 3 372.797 3.489 20 0 FGADHM Cc1ncc(C[N-]S(=O)(=O)Cc2c(Cl)cccc2Cl)s1 ZINC000113282567 495293199 /nfs/dbraw/zinc/29/31/99/495293199.db2.gz CQZSOLSWUINYRO-UHFFFAOYSA-N -1 3 351.280 3.378 20 0 FGADHM COc1ccc(C(=O)NC[C@H]2CCCN(C)[C@H]2c2cccs2)c([O-])c1 ZINC000129815900 495300563 /nfs/dbraw/zinc/30/05/63/495300563.db2.gz GVTCXGAXWKHQRW-FZKQIMNGSA-N -1 3 360.479 3.275 20 0 FGADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]Cc2cccc(C)c2)cc1Cl ZINC000104734140 495302074 /nfs/dbraw/zinc/30/20/74/495302074.db2.gz KPUFZYHZQWMHDJ-UHFFFAOYSA-N -1 3 370.833 3.224 20 0 FGADHM CCc1csc([C@H]2CCCN(C(=O)c3cc(NC(C)=O)ccc3[O-])C2)n1 ZINC000113440187 495306216 /nfs/dbraw/zinc/30/62/16/495306216.db2.gz WZZKOUCMMLXFOW-ZDUSSCGKSA-N -1 3 373.478 3.389 20 0 FGADHM CC1(C)CCCC[C@H]1CC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000124555128 495306283 /nfs/dbraw/zinc/30/62/83/495306283.db2.gz GRHCWDNPCOPSKV-KRWDZBQOSA-N -1 3 358.482 3.283 20 0 FGADHM O=C([N-]c1csc(-c2ccccn2)n1)c1cc(CN2CCCC2)on1 ZINC000580506664 505773750 /nfs/dbraw/zinc/77/37/50/505773750.db2.gz NXUJLKDWLLYDEZ-UHFFFAOYSA-N -1 3 355.423 3.041 20 0 FGADHM CC1(C)CCC(CC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)CC1 ZINC000124574798 495309813 /nfs/dbraw/zinc/30/98/13/495309813.db2.gz PWWPBKXNRKRGJT-UHFFFAOYSA-N -1 3 358.482 3.283 20 0 FGADHM Cc1cccc2c1CC[C@H]2NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000104927710 495316317 /nfs/dbraw/zinc/31/63/17/495316317.db2.gz SMFRAQLRQSTNQO-RTBURBONSA-N -1 3 364.445 3.109 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]C[C@@H](C[C@@H](C)O)c2ccccc2)c(F)cc1F ZINC000124689269 495328273 /nfs/dbraw/zinc/32/82/73/495328273.db2.gz ZMFHMIMRFYQQBC-UKRRQHHQSA-N -1 3 369.433 3.106 20 0 FGADHM Cc1ccc(OC(F)F)c(CNC(=O)NCc2ccc([O-])c(F)c2)c1 ZINC000124783048 495343450 /nfs/dbraw/zinc/34/34/50/495343450.db2.gz RFNJNCGRWXFMOK-UHFFFAOYSA-N -1 3 354.328 3.441 20 0 FGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(NC(=O)N[C@@H]2C=CCCC2)ccc1F ZINC000135977532 495347361 /nfs/dbraw/zinc/34/73/61/495347361.db2.gz AAEXYZXVFFTLFG-GFCCVEGCSA-N -1 3 369.462 3.133 20 0 FGADHM Cc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)Cc1cc(Cl)ccc1F)CO2 ZINC000124877891 495358004 /nfs/dbraw/zinc/35/80/04/495358004.db2.gz OSLBNWDOEJQILT-HNNXBMFYSA-N -1 3 355.818 3.341 20 0 FGADHM CCC[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)Cc2ccc([O-])cc2Cl)C1 ZINC000136233731 495366256 /nfs/dbraw/zinc/36/62/56/495366256.db2.gz MAQYJCURPNZBCS-DZGCQCFKSA-N -1 3 366.889 3.132 20 0 FGADHM CCCCn1c(=O)[n-]nc1S(=O)(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000105525288 495368038 /nfs/dbraw/zinc/36/80/38/495368038.db2.gz QDHXAVKFQZHVBK-UHFFFAOYSA-N -1 3 371.462 3.425 20 0 FGADHM CC[C@@H](O)[C@H]1CCCCN1Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000114459159 495376932 /nfs/dbraw/zinc/37/69/32/495376932.db2.gz ZTIIGTYBRCGIKY-ZIAGYGMSSA-N -1 3 373.478 3.370 20 0 FGADHM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)ccc1C ZINC000106007152 495401924 /nfs/dbraw/zinc/40/19/24/495401924.db2.gz BKSDSXQIRZWGOA-LBPRGKRZSA-N -1 3 360.435 3.078 20 0 FGADHM O=C(NCC1(c2ccccc2Cl)CCOCC1)c1ccc(O)cc1[O-] ZINC000106003356 495402140 /nfs/dbraw/zinc/40/21/40/495402140.db2.gz SBAMICMOBKFAAI-UHFFFAOYSA-N -1 3 361.825 3.229 20 0 FGADHM Cc1cccc(C(=O)NCCc2nc(-c3cccc(Cl)c3)no2)c1[O-] ZINC000114646112 495404297 /nfs/dbraw/zinc/40/42/97/495404297.db2.gz YXAHZCOJPBNTOU-UHFFFAOYSA-N -1 3 357.797 3.377 20 0 FGADHM Cc1ccsc1[C@@H](CO)[N-]S(=O)(=O)Cc1cc(Cl)ccc1F ZINC000125222360 495408299 /nfs/dbraw/zinc/40/82/99/495408299.db2.gz GDFGDNVJGQIVJE-CYBMUJFWSA-N -1 3 363.863 3.002 20 0 FGADHM Cc1ccc([O-])c(C(=O)NCc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)c1 ZINC000106083682 495411548 /nfs/dbraw/zinc/41/15/48/495411548.db2.gz JIBGVCHTOITXAG-IRXDYDNUSA-N -1 3 368.477 3.240 20 0 FGADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000136980759 495415214 /nfs/dbraw/zinc/41/52/14/495415214.db2.gz UZUULUFPSHRBHA-QWHCGFSZSA-N -1 3 353.348 3.098 20 0 FGADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000136980759 495415221 /nfs/dbraw/zinc/41/52/21/495415221.db2.gz UZUULUFPSHRBHA-QWHCGFSZSA-N -1 3 353.348 3.098 20 0 FGADHM O=S(=O)([N-]Cc1ccc(-c2nc3ccccc3s2)o1)c1ccccn1 ZINC000130610836 495419321 /nfs/dbraw/zinc/41/93/21/495419321.db2.gz FWDKZIIZQBKBEK-UHFFFAOYSA-N -1 3 371.443 3.430 20 0 FGADHM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-][C@H](C)c1cc(C)sc1C ZINC000130664309 495427111 /nfs/dbraw/zinc/42/71/11/495427111.db2.gz XYYWNBBXROSJHJ-SNVBAGLBSA-N -1 3 371.455 3.330 20 0 FGADHM CN(CCC1CCN(c2ccncc2)CC1)C(=O)c1ccc(C(=O)[O-])cc1 ZINC000571646175 505781833 /nfs/dbraw/zinc/78/18/33/505781833.db2.gz NQNZHXOFIATZKT-UHFFFAOYSA-N -1 3 367.449 3.159 20 0 FGADHM O=C(N[C@@H]1CCCc2sccc21)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000137377213 495438332 /nfs/dbraw/zinc/43/83/32/495438332.db2.gz DETMAWALNZRVGE-HZPDHXFCSA-N -1 3 370.474 3.252 20 0 FGADHM O=S(=O)([N-]Cc1ccc(COCc2ccccc2)cc1)c1ccccn1 ZINC000130742431 495438630 /nfs/dbraw/zinc/43/86/30/495438630.db2.gz IWYZJJDQMCZLLW-UHFFFAOYSA-N -1 3 368.458 3.277 20 0 FGADHM Cc1ccc(OCCCC(=O)Nc2ccc(Cc3nnn[n-]3)cc2)cc1C ZINC000120722075 495443044 /nfs/dbraw/zinc/44/30/44/495443044.db2.gz REPOEVZBEKPIFF-UHFFFAOYSA-N -1 3 365.437 3.205 20 0 FGADHM Cc1ccc(OCCCC(=O)Nc2ccc(Cc3nn[n-]n3)cc2)cc1C ZINC000120722075 495443049 /nfs/dbraw/zinc/44/30/49/495443049.db2.gz REPOEVZBEKPIFF-UHFFFAOYSA-N -1 3 365.437 3.205 20 0 FGADHM O=S(=O)([N-]C[C@@H](CO)c1ccccc1)c1cc(Cl)cc(Cl)c1 ZINC000125429671 495443396 /nfs/dbraw/zinc/44/33/96/495443396.db2.gz JRAURPQNWQNNCA-LBPRGKRZSA-N -1 3 360.262 3.048 20 0 FGADHM CCc1ccc(NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1F ZINC000138103905 495455139 /nfs/dbraw/zinc/45/51/39/495455139.db2.gz XISZOXLWKRRPRH-UHFFFAOYSA-N -1 3 371.412 3.084 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)[C@@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000130954930 495471391 /nfs/dbraw/zinc/47/13/91/495471391.db2.gz KHDMWWDWRMQKTQ-NWDGAFQWSA-N -1 3 357.776 3.401 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)[C@@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000130954930 495471394 /nfs/dbraw/zinc/47/13/94/495471394.db2.gz KHDMWWDWRMQKTQ-NWDGAFQWSA-N -1 3 357.776 3.401 20 0 FGADHM CCc1cc(=O)[n-]c(CSCC(=O)N(C)[C@H](C)c2ccc(F)cc2)n1 ZINC000125737042 495490840 /nfs/dbraw/zinc/49/08/40/495490840.db2.gz VUZAWQVDBSRIIX-GFCCVEGCSA-N -1 3 363.458 3.337 20 0 FGADHM O=C([O-])CCN(Cc1ccc(F)cc1Br)C1CCOCC1 ZINC000580563218 505786992 /nfs/dbraw/zinc/78/69/92/505786992.db2.gz IGCQKEWTDPLEQZ-UHFFFAOYSA-N -1 3 360.223 3.044 20 0 FGADHM CCc1ncc(C(=O)[N-]c2nnc(Cc3cccc(OC)c3)s2)s1 ZINC000107177473 495523150 /nfs/dbraw/zinc/52/31/50/495523150.db2.gz XGCFOYDSAXQBLQ-UHFFFAOYSA-N -1 3 360.464 3.409 20 0 FGADHM Cc1csc([C@H]([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)C2CC2)n1 ZINC000173464698 495541928 /nfs/dbraw/zinc/54/19/28/495541928.db2.gz RWMMNPJOMCFUCT-MEDUHNTESA-N -1 3 364.492 3.205 20 0 FGADHM Cc1ccc([C@H]2CCCCCN2C(=O)CCc2c(C)nc(C)[n-]c2=O)o1 ZINC000154217155 495547476 /nfs/dbraw/zinc/54/74/76/495547476.db2.gz SASXENXHWRCIIZ-QGZVFWFLSA-N -1 3 357.454 3.365 20 0 FGADHM O=C(Cc1ccc([O-])cc1Cl)NCCc1nc(-c2ccccn2)cs1 ZINC000182404146 495550788 /nfs/dbraw/zinc/55/07/88/495550788.db2.gz QNKJEIOVXQAXJJ-UHFFFAOYSA-N -1 3 373.865 3.466 20 0 FGADHM O=S(=O)([N-][C@@H]1[C@H]2Cc3ccccc3[C@@H]12)c1ccc(Br)s1 ZINC000154242387 495554391 /nfs/dbraw/zinc/55/43/91/495554391.db2.gz XNASUYTUAKOGCU-ZLKJLUDKSA-N -1 3 370.293 3.127 20 0 FGADHM CC(C)[C@@H](C(=O)Nc1cccc([C@]2(C)NC(=O)[N-]C2=O)c1)c1ccccc1 ZINC000173513447 495567683 /nfs/dbraw/zinc/56/76/83/495567683.db2.gz CEVILNJBGVACOT-UTKZUKDTSA-N -1 3 365.433 3.120 20 0 FGADHM COCCS(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1N1CCCCC1 ZINC000154292840 495572299 /nfs/dbraw/zinc/57/22/99/495572299.db2.gz BXWVFISUJQQFFC-UHFFFAOYSA-N -1 3 366.405 3.084 20 0 FGADHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(C)=O)c(C)c1 ZINC000170708493 495576287 /nfs/dbraw/zinc/57/62/87/495576287.db2.gz QGYWGDDWJGZJGF-CYBMUJFWSA-N -1 3 374.462 3.102 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCc2cccc(F)c2)c1 ZINC000179417712 495582944 /nfs/dbraw/zinc/58/29/44/495582944.db2.gz IXVBGYLJFOGZNP-UHFFFAOYSA-N -1 3 369.352 3.010 20 0 FGADHM O=C1[C@@H](NCc2cc([O-])cc(F)c2)CCN1c1ccc(Cl)c(F)c1 ZINC000185614201 495645552 /nfs/dbraw/zinc/64/55/52/495645552.db2.gz BSNXUANSCYZASP-INIZCTEOSA-N -1 3 352.768 3.219 20 0 FGADHM O=C(CCCc1ccccc1)[N-]OCC(=O)Nc1ccnn1C1CCCC1 ZINC000154544830 495650126 /nfs/dbraw/zinc/65/01/26/495650126.db2.gz KIJMEVDTTRVASS-UHFFFAOYSA-N -1 3 370.453 3.007 20 0 FGADHM O=C(c1cc(OCc2ccccc2)ccc1[O-])N1[C@@H]2CC[C@H]1CC(O)C2 ZINC000179590159 495652254 /nfs/dbraw/zinc/65/22/54/495652254.db2.gz INEHCDVBGMURLC-SJPCQFCGSA-N -1 3 353.418 3.099 20 0 FGADHM CCCC(=O)Nc1cccc([N-]S(=O)(=O)C[C@H]2CCCCO2)c1C ZINC000150850055 495655073 /nfs/dbraw/zinc/65/50/73/495655073.db2.gz SURIHWNFWJJNJR-CQSZACIVSA-N -1 3 354.472 3.044 20 0 FGADHM COC(=O)c1ccc([N-]C(=O)c2cc(COC(C)(C)C)on2)c(F)c1 ZINC000185636679 495657164 /nfs/dbraw/zinc/65/71/64/495657164.db2.gz ONJVFLMFWBLEPK-UHFFFAOYSA-N -1 3 350.346 3.168 20 0 FGADHM COc1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1CCC[C@H](F)C1 ZINC000568861093 505795857 /nfs/dbraw/zinc/79/58/57/505795857.db2.gz WPPZHAXZRLNCJF-WDEREUQCSA-N -1 3 366.252 3.017 20 0 FGADHM C[C@@H](NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)c1cc2ccccc2s1 ZINC000170968917 495671667 /nfs/dbraw/zinc/67/16/67/495671667.db2.gz MCIGPZJEWYGDHS-SNVBAGLBSA-N -1 3 350.399 3.276 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C)c2ccccc2-n2cccn2)c1 ZINC000150906000 495675627 /nfs/dbraw/zinc/67/56/27/495675627.db2.gz GDWZKLSLSVOENK-ZDUSSCGKSA-N -1 3 364.405 3.027 20 0 FGADHM O=C(Nc1cc(Br)ccc1[O-])[C@H]1CC(=O)Nc2ccccc21 ZINC000179656765 495678473 /nfs/dbraw/zinc/67/84/73/495678473.db2.gz CKQLXMBPWYHZNL-NSHDSACASA-N -1 3 361.195 3.219 20 0 FGADHM COc1ccc(N[C@H](C)c2cccnc2Cl)cc1[N-]S(C)(=O)=O ZINC000182731231 495680621 /nfs/dbraw/zinc/68/06/21/495680621.db2.gz IUUNDDIKQGOENZ-SNVBAGLBSA-N -1 3 355.847 3.288 20 0 FGADHM O=C(Nc1ccn(CCc2ccncc2)n1)c1ccc2c(c1[O-])CCCC2 ZINC000185728459 495699460 /nfs/dbraw/zinc/69/94/60/495699460.db2.gz KIZAVZAUQGUQTE-UHFFFAOYSA-N -1 3 362.433 3.358 20 0 FGADHM Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)c2cccc3nn[n-]c32)cc1 ZINC000182790694 495703478 /nfs/dbraw/zinc/70/34/78/495703478.db2.gz JEPSRMHHVBXBTQ-DNVCBOLYSA-N -1 3 350.422 3.164 20 0 FGADHM Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)c2cccc3[n-]nnc32)cc1 ZINC000182790694 495703481 /nfs/dbraw/zinc/70/34/81/495703481.db2.gz JEPSRMHHVBXBTQ-DNVCBOLYSA-N -1 3 350.422 3.164 20 0 FGADHM Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)c2cccc3n[n-]nc32)cc1 ZINC000182790694 495703488 /nfs/dbraw/zinc/70/34/88/495703488.db2.gz JEPSRMHHVBXBTQ-DNVCBOLYSA-N -1 3 350.422 3.164 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc(OC)cs3)c2)n1 ZINC000176577036 495705876 /nfs/dbraw/zinc/70/58/76/495705876.db2.gz UZOYRXZLMUYUBC-UHFFFAOYSA-N -1 3 355.419 3.322 20 0 FGADHM CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3C)cc1 ZINC000179738864 495711798 /nfs/dbraw/zinc/71/17/98/495711798.db2.gz OWYDXAHQFBLMQI-UHFFFAOYSA-N -1 3 374.462 3.184 20 0 FGADHM O=C(Cc1ccc([O-])cc1Cl)Nc1ccccc1N1CCC(CO)CC1 ZINC000182809777 495712094 /nfs/dbraw/zinc/71/20/94/495712094.db2.gz MRLJBHIDPIOIBR-UHFFFAOYSA-N -1 3 374.868 3.436 20 0 FGADHM Cc1coc2ccc(NC(=O)c3ccc([C@@]4(C)NC(=O)[N-]C4=O)cc3)cc12 ZINC000185784784 495725746 /nfs/dbraw/zinc/72/57/46/495725746.db2.gz NFWSOHLSJHDSBA-HXUWFJFHSA-N -1 3 363.373 3.048 20 0 FGADHM COc1ccc(OC)c([C@H](C)NCc2cc(=O)oc3cc([O-])ccc23)c1 ZINC000171139793 495740091 /nfs/dbraw/zinc/74/00/91/495740091.db2.gz XKJWPZFDVZJMCG-LBPRGKRZSA-N -1 3 355.390 3.367 20 0 FGADHM Cc1cccc(F)c1S(=O)(=O)[N-]Cc1nc2ccccc2n1C1CC1 ZINC000185841247 495745409 /nfs/dbraw/zinc/74/54/09/495745409.db2.gz FJIBMHZKGIMRRS-UHFFFAOYSA-N -1 3 359.426 3.297 20 0 FGADHM COc1ccc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)c(OC)c1 ZINC000154854970 495751420 /nfs/dbraw/zinc/75/14/20/495751420.db2.gz YLXUTPYVRSMUKH-UHFFFAOYSA-N -1 3 356.353 3.245 20 0 FGADHM COCC1=CCN(Cc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)CC1 ZINC000185870932 495758318 /nfs/dbraw/zinc/75/83/18/495758318.db2.gz DVFDMVLDRTVTRI-UHFFFAOYSA-N -1 3 367.474 3.430 20 0 FGADHM CSc1ccc(C(=O)Nc2cc(C)ccc2[N-]S(C)(=O)=O)cc1 ZINC000173971230 495769151 /nfs/dbraw/zinc/76/91/51/495769151.db2.gz OHQLKXGBGUYWSZ-UHFFFAOYSA-N -1 3 350.465 3.341 20 0 FGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)CCCOc2ccccc2)c1 ZINC000173977183 495771890 /nfs/dbraw/zinc/77/18/90/495771890.db2.gz QBCHGMJHIHKFEE-UHFFFAOYSA-N -1 3 362.451 3.164 20 0 FGADHM COc1ccc(Sc2nsc([N-]C(=O)c3ccc(F)cn3)n2)cc1 ZINC000182986092 495786238 /nfs/dbraw/zinc/78/62/38/495786238.db2.gz QUPPBXJGAJZRKT-UHFFFAOYSA-N -1 3 362.411 3.484 20 0 FGADHM O=C1[N-]C(=O)/C(=C/N[C@H](c2ccccc2)c2cccnc2)c2ccccc21 ZINC000171261642 495793766 /nfs/dbraw/zinc/79/37/66/495793766.db2.gz BXGJQCNDPPKLKO-IAERKFLBSA-N -1 3 355.397 3.072 20 0 FGADHM COCCOCc1nc(=O)c2c(-c3ccc(Cl)cc3)csc2[n-]1 ZINC000174036429 495798316 /nfs/dbraw/zinc/79/83/16/495798316.db2.gz CBBUQGMZBGZLHF-UHFFFAOYSA-N -1 3 350.827 3.468 20 0 FGADHM O=C(c1c[n-]c2ccccc2c1=O)N1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000185969618 495802446 /nfs/dbraw/zinc/80/24/46/495802446.db2.gz VYSXHXHFDDACQE-GOSISDBHSA-N -1 3 368.820 3.395 20 0 FGADHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(N(C)C(C)=O)c2)cc1C ZINC000174054900 495803644 /nfs/dbraw/zinc/80/36/44/495803644.db2.gz GGNCGFNKFQKUIA-UHFFFAOYSA-N -1 3 362.451 3.096 20 0 FGADHM CC[C@@H]1Oc2cc([C@@H](C)NC(=O)c3cccc(C)c3[O-])ccc2NC1=O ZINC000174099756 495819472 /nfs/dbraw/zinc/81/94/72/495819472.db2.gz VAVWQVCBPLYSHB-WBMJQRKESA-N -1 3 354.406 3.301 20 0 FGADHM COc1ccc(C)cc1N1C[C@@H](C(=O)Nc2c(C)cccc2[O-])CC1=O ZINC000183075213 495824291 /nfs/dbraw/zinc/82/42/91/495824291.db2.gz YADHMHZUQYVTCP-AWEZNQCLSA-N -1 3 354.406 3.009 20 0 FGADHM O=C([O-])[C@@H](c1cccc(Br)c1)N1CCOC[C@@H](C2CCC2)C1 ZINC000577856609 505806313 /nfs/dbraw/zinc/80/63/13/505806313.db2.gz DCNZMWOFSYCMMG-GOEBONIOSA-N -1 3 368.271 3.323 20 0 FGADHM Cc1cc(NC(=O)c2cccc3nn[n-]c32)ccc1OC1CCOCC1 ZINC000180047697 495836845 /nfs/dbraw/zinc/83/68/45/495836845.db2.gz JJNIZFJJKKLOEE-UHFFFAOYSA-N -1 3 352.394 3.076 20 0 FGADHM Cc1cc(NC(=O)c2cccc3[n-]nnc32)ccc1OC1CCOCC1 ZINC000180047697 495836847 /nfs/dbraw/zinc/83/68/47/495836847.db2.gz JJNIZFJJKKLOEE-UHFFFAOYSA-N -1 3 352.394 3.076 20 0 FGADHM Cc1cc(NC(=O)c2cccc3n[n-]nc32)ccc1OC1CCOCC1 ZINC000180047697 495836851 /nfs/dbraw/zinc/83/68/51/495836851.db2.gz JJNIZFJJKKLOEE-UHFFFAOYSA-N -1 3 352.394 3.076 20 0 FGADHM O=C(NCc1ccc([O-])c(Br)c1)c1cccc(-n2cccn2)c1 ZINC000151539561 495872745 /nfs/dbraw/zinc/87/27/45/495872745.db2.gz AWPRZPRNIKXXTM-UHFFFAOYSA-N -1 3 372.222 3.270 20 0 FGADHM CC[C@@H](NC(=O)c1c[n-]c2c(C)cc(F)cc2c1=O)c1c(C)nn(C)c1C ZINC000155200649 495874131 /nfs/dbraw/zinc/87/41/31/495874131.db2.gz NORORJVPJWGEKL-MRXNPFEDSA-N -1 3 370.428 3.207 20 0 FGADHM Cc1cnc([C@H](C)CNC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)s1 ZINC000183193560 495875729 /nfs/dbraw/zinc/87/57/29/495875729.db2.gz IXZNQXPJKWFZFY-SNVBAGLBSA-N -1 3 359.426 3.274 20 0 FGADHM O=C(Cn1ccc2ccccc21)NCc1ccc([O-])c(Br)c1 ZINC000151565292 495880188 /nfs/dbraw/zinc/88/01/88/495880188.db2.gz 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ZINC000151587593 495886398 /nfs/dbraw/zinc/88/63/98/495886398.db2.gz FRIOWKZGLATWQD-UHFFFAOYSA-N -1 3 372.222 3.270 20 0 FGADHM O=C([N-]c1n[nH]c(Cc2cccc(F)c2)n1)c1csc([C@@H]2CCCO2)n1 ZINC000183271424 495910910 /nfs/dbraw/zinc/91/09/10/495910910.db2.gz QYTXVRQAEYSGFJ-ZDUSSCGKSA-N -1 3 373.413 3.095 20 0 FGADHM CCOC(=O)c1cc(NC(=O)c2cc(C(C)C)n(-c3ccccc3)n2)n[n-]1 ZINC000183278934 495913113 /nfs/dbraw/zinc/91/31/13/495913113.db2.gz ZKOBXFWRJXMWHC-UHFFFAOYSA-N -1 3 367.409 3.148 20 0 FGADHM CCOC(=O)c1cc(NC(=O)c2cc(C(C)C)n(-c3ccccc3)n2)[n-]n1 ZINC000183278934 495913121 /nfs/dbraw/zinc/91/31/21/495913121.db2.gz ZKOBXFWRJXMWHC-UHFFFAOYSA-N -1 3 367.409 3.148 20 0 FGADHM COc1ccc(S(=O)(=O)[N-][C@@H](CC(C)(C)C)C(F)(F)F)cc1OC ZINC000183297259 495920169 /nfs/dbraw/zinc/92/01/69/495920169.db2.gz DKRPOGNVTNJCLA-ZDUSSCGKSA-N -1 3 369.405 3.349 20 0 FGADHM Cc1ccccc1[C@@H]1CN(C(=O)c2c[n-]c3ccccc3c2=O)[C@H](C)CO1 ZINC000174346298 495921287 /nfs/dbraw/zinc/92/12/87/495921287.db2.gz 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CC(C)N(C)C(=O)[C@@H](C)Sc1n[n-]c(COc2ccc(Cl)cc2)n1 ZINC000177194905 495970148 /nfs/dbraw/zinc/97/01/48/495970148.db2.gz OEMARNPSINMTPY-LLVKDONJSA-N -1 3 368.890 3.385 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N[C@H](C)c3ccc4c(c3)OCO4)c[n-]c12 ZINC000155490147 495972935 /nfs/dbraw/zinc/97/29/35/495972935.db2.gz UYUIYXYEDBILRL-LLVKDONJSA-N -1 3 368.364 3.195 20 0 FGADHM CCO[C@@H](C)c1nccn1Cc1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000155498375 495975164 /nfs/dbraw/zinc/97/51/64/495975164.db2.gz YNGDOTOFNGLSNV-NSHDSACASA-N -1 3 358.467 3.206 20 0 FGADHM CCC[C@H]1C[C@@H](C(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)CCO1 ZINC000183422789 495976318 /nfs/dbraw/zinc/97/63/18/495976318.db2.gz SDAKUPKIHQCLPH-RDJZCZTQSA-N -1 3 355.438 3.279 20 0 FGADHM O=S(=O)([N-]Cc1nccs1)c1cc(Cl)ccc1OCCC1CC1 ZINC000186473890 496010917 /nfs/dbraw/zinc/01/09/17/496010917.db2.gz MLDZPRMZSRVMKR-UHFFFAOYSA-N -1 3 372.899 3.454 20 0 FGADHM CC(C)CCN(CCC(C)C)C(=O)c1cccc([C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000151998600 496018026 /nfs/dbraw/zinc/01/80/26/496018026.db2.gz OEUKQXKPFGTEKM-NRFANRHFSA-N -1 3 373.497 3.276 20 0 FGADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N(C)CC3CCC3)cs2)c1 ZINC000183603259 496044436 /nfs/dbraw/zinc/04/44/36/496044436.db2.gz ZVUQYEMOTQMCBK-UHFFFAOYSA-N -1 3 373.478 3.210 20 0 FGADHM Cc1nc(C)c(CC(=O)N[C@@H]2CCCc3ccc(C(C)C)cc32)c(=O)[n-]1 ZINC000155719486 496046228 /nfs/dbraw/zinc/04/62/28/496046228.db2.gz UBHLMPQUNIBYHF-LJQANCHMSA-N -1 3 353.466 3.246 20 0 FGADHM CCOc1ccccc1CNC(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000155767842 496061907 /nfs/dbraw/zinc/06/19/07/496061907.db2.gz DBGLFWQYAJCONN-UHFFFAOYSA-N -1 3 354.381 3.304 20 0 FGADHM Cc1cnc([N-]S(=O)(=O)Cc2ccccc2F)c(Br)c1 ZINC000186619906 496076589 /nfs/dbraw/zinc/07/65/89/496076589.db2.gz IMXZBHWFELGFEG-UHFFFAOYSA-N -1 3 359.220 3.234 20 0 FGADHM CC(=O)c1cccc(NC(=O)[C@@H](c2ccccc2)N2CCCCC2=O)c1[O-] ZINC000571827902 505822452 /nfs/dbraw/zinc/82/24/52/505822452.db2.gz BBZDLTCORKZBAN-LJQANCHMSA-N -1 3 366.417 3.287 20 0 FGADHM CCCN(CCc1ccccn1)C(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000155847840 496086352 /nfs/dbraw/zinc/08/63/52/496086352.db2.gz NUSUBIRLFZTKAI-UHFFFAOYSA-N -1 3 367.424 3.466 20 0 FGADHM C[C@H]1CN(C(=O)c2c[n-]c3ccccc3c2=O)C[C@@H](c2ccsc2)O1 ZINC000155877492 496094603 /nfs/dbraw/zinc/09/46/03/496094603.db2.gz RCUGIHDQAWNBHE-SJCJKPOMSA-N -1 3 354.431 3.192 20 0 FGADHM CC(C)OCCS(=O)(=O)[N-]c1ccc(Br)cc1Cl ZINC000177539579 496103294 /nfs/dbraw/zinc/10/32/94/496103294.db2.gz FAOXXLCDCFSJIH-UHFFFAOYSA-N -1 3 356.669 3.269 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCO[C@H]2c2ccc(F)c(F)c2)c(F)c1 ZINC000180747789 496128584 /nfs/dbraw/zinc/12/85/84/496128584.db2.gz NNNCEDAUPCOPNY-RDJZCZTQSA-N -1 3 371.380 3.221 20 0 FGADHM CC[C@@H](NC(=O)c1ccc2n[n-]nc2c1)c1nc(C(F)(F)F)cs1 ZINC000174860228 496136096 /nfs/dbraw/zinc/13/60/96/496136096.db2.gz GPZHJCLTJVXZKP-MRVPVSSYSA-N -1 3 355.345 3.314 20 0 FGADHM O=C(Nc1cc(F)ccc1[O-])C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000174875618 496143579 /nfs/dbraw/zinc/14/35/79/496143579.db2.gz FVYIOHPGRQRXNW-UHFFFAOYSA-N -1 3 360.360 3.161 20 0 FGADHM CC(C)[C@@H]1CCC[C@H](NC(=O)c2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)CC1 ZINC000183886375 496148124 /nfs/dbraw/zinc/14/81/24/496148124.db2.gz KUNRLVSKUUCZOQ-DAESXHAQSA-N -1 3 371.481 3.076 20 0 FGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc3oc(C)c(C)c3c2)c(C)o1 ZINC000186782009 496149334 /nfs/dbraw/zinc/14/93/34/496149334.db2.gz YYDZFTRACNJHMU-UHFFFAOYSA-N -1 3 362.407 3.111 20 0 FGADHM CN(C)[C@@H](CNC(=O)c1ccc(O)cc1[O-])c1cccc(C(F)(F)F)c1 ZINC000183893785 496150613 /nfs/dbraw/zinc/15/06/13/496150613.db2.gz AMPUBUFFXUKYJN-HNNXBMFYSA-N -1 3 368.355 3.149 20 0 FGADHM O=S(=O)(Cc1cn2cc(Cl)cc(Cl)c2n1)c1cccc([O-])c1 ZINC000183989895 496189997 /nfs/dbraw/zinc/18/99/97/496189997.db2.gz NFRYVWUVKPKLET-UHFFFAOYSA-N -1 3 357.218 3.321 20 0 FGADHM O=S(=O)(Cc1noc(-c2ccc(Cl)cc2)n1)c1cccc([O-])c1 ZINC000184002737 496195802 /nfs/dbraw/zinc/19/58/02/496195802.db2.gz BDEHOXRYBHTNIW-UHFFFAOYSA-N -1 3 350.783 3.070 20 0 FGADHM CCOC(=O)c1cc(NC(=O)CCCOc2ccccc2Cl)n[n-]1 ZINC000180925592 496202650 /nfs/dbraw/zinc/20/26/50/496202650.db2.gz GRROQZIAKHWFSK-UHFFFAOYSA-N -1 3 351.790 3.038 20 0 FGADHM CCOC(=O)c1cc(NC(=O)CCCOc2ccccc2Cl)[n-]n1 ZINC000180925592 496202656 /nfs/dbraw/zinc/20/26/56/496202656.db2.gz GRROQZIAKHWFSK-UHFFFAOYSA-N -1 3 351.790 3.038 20 0 FGADHM CCOC(=O)c1cc(NC(=O)c2sc(Cc3ccccc3)nc2C)n[n-]1 ZINC000180932725 496206530 /nfs/dbraw/zinc/20/65/30/496206530.db2.gz FNSLUYQBLBLLHX-UHFFFAOYSA-N -1 3 370.434 3.194 20 0 FGADHM CCOC(=O)c1cc(NC(=O)c2sc(Cc3ccccc3)nc2C)[n-]n1 ZINC000180932725 496206533 /nfs/dbraw/zinc/20/65/33/496206533.db2.gz FNSLUYQBLBLLHX-UHFFFAOYSA-N -1 3 370.434 3.194 20 0 FGADHM CCc1cccc(C(=O)N2[C@H](C(=O)OC)CC[C@H]2c2ccccc2)c1[O-] ZINC000571865904 505832737 /nfs/dbraw/zinc/83/27/37/505832737.db2.gz WODGPOCFCWFBRK-ROUUACIJSA-N -1 3 353.418 3.474 20 0 FGADHM Cc1nc(COC(C)(C)C)oc1C(=O)[N-]c1nncn1Cc1ccccc1 ZINC000574694157 505833642 /nfs/dbraw/zinc/83/36/42/505833642.db2.gz JNMUVVVCVUYHSQ-UHFFFAOYSA-N -1 3 369.425 3.190 20 0 FGADHM CCc1ccc([C@H](COC)[N-]S(=O)(=O)Cc2ccc(C)c(F)c2)o1 ZINC000184168665 496268555 /nfs/dbraw/zinc/26/85/55/496268555.db2.gz HOXFFMFYTQYZTO-INIZCTEOSA-N -1 3 355.431 3.097 20 0 FGADHM O=S(=O)(C[C@H]1CCCO1)[N-]c1ccc(CN2CCc3ccccc32)cc1 ZINC000172368272 496271128 /nfs/dbraw/zinc/27/11/28/496271128.db2.gz IBVMHXAWOKEIAT-LJQANCHMSA-N -1 3 372.490 3.170 20 0 FGADHM Cc1cc(C(=O)N(Cc2csc(Br)c2)C2CC2)[n-]c(=O)n1 ZINC000161985666 496275538 /nfs/dbraw/zinc/27/55/38/496275538.db2.gz CACNFWWDLZQSIS-UHFFFAOYSA-N -1 3 368.256 3.119 20 0 FGADHM Cc1nc2ccccc2n1CC(=O)NCc1ccc([O-])c(Br)c1 ZINC000178020476 496290401 /nfs/dbraw/zinc/29/04/01/496290401.db2.gz RUQWXSDOJOMDFW-UHFFFAOYSA-N -1 3 374.238 3.129 20 0 FGADHM O=C(Nc1ccccc1NC(=O)c1cccc2nn[n-]c21)c1ccccc1 ZINC000187104776 496295735 /nfs/dbraw/zinc/29/57/35/496295735.db2.gz ZJPXIMKGJPBFBP-UHFFFAOYSA-N -1 3 357.373 3.463 20 0 FGADHM O=C(Nc1ccccc1NC(=O)c1cccc2[n-]nnc21)c1ccccc1 ZINC000187104776 496295740 /nfs/dbraw/zinc/29/57/40/496295740.db2.gz ZJPXIMKGJPBFBP-UHFFFAOYSA-N -1 3 357.373 3.463 20 0 FGADHM O=C(Nc1ccccc1NC(=O)c1cccc2n[n-]nc21)c1ccccc1 ZINC000187104776 496295744 /nfs/dbraw/zinc/29/57/44/496295744.db2.gz ZJPXIMKGJPBFBP-UHFFFAOYSA-N -1 3 357.373 3.463 20 0 FGADHM CCN1CCC[C@H]1C[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000162120086 496299072 /nfs/dbraw/zinc/29/90/72/496299072.db2.gz ZNLYLWJOSBDKAY-JTQLQIEISA-N -1 3 370.824 3.121 20 0 FGADHM Cc1cc(C(=O)NC2(c3noc(C(F)(F)F)n3)CCCC2)ccc1[O-] ZINC000574703225 505836267 /nfs/dbraw/zinc/83/62/67/505836267.db2.gz LYNZZIGWBUJRPN-UHFFFAOYSA-N -1 3 355.316 3.302 20 0 FGADHM Cc1nn(C(C)(C)C)cc1[C@H](C)[N-]S(=O)(=O)c1cc(C)ccc1F ZINC000152966061 496310303 /nfs/dbraw/zinc/31/03/03/496310303.db2.gz VLKUCHJBNUFQBC-ZDUSSCGKSA-N -1 3 353.463 3.434 20 0 FGADHM CS[C@@H](C)CNC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000184278255 496316207 /nfs/dbraw/zinc/31/62/07/496316207.db2.gz FMXQRAKHROJANA-KSSFIOAISA-N -1 3 372.490 3.121 20 0 FGADHM O=S(=O)(Cc1cc(Cl)ccc1F)[N-]c1nc(C(F)(F)F)c[nH]1 ZINC000569047190 505837710 /nfs/dbraw/zinc/83/77/10/505837710.db2.gz SCBGAEXXHSLXPL-UHFFFAOYSA-N -1 3 357.716 3.163 20 0 FGADHM O=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000187197996 496336043 /nfs/dbraw/zinc/33/60/43/496336043.db2.gz PJCDTLFEVHIJKU-AMFBXLIHSA-N -1 3 363.870 3.479 20 0 FGADHM Cc1ccc(-c2cc(C(=O)Nc3ccc(O[C@@H]4CCOC4)cc3)n[n-]2)o1 ZINC000172592355 496356397 /nfs/dbraw/zinc/35/63/97/496356397.db2.gz SLPDIPRKMNOANY-OAHLLOKOSA-N -1 3 353.378 3.398 20 0 FGADHM Cc1ccc(-c2cc(C(=O)Nc3ccc(O[C@@H]4CCOC4)cc3)[n-]n2)o1 ZINC000172592355 496356399 /nfs/dbraw/zinc/35/63/99/496356399.db2.gz SLPDIPRKMNOANY-OAHLLOKOSA-N -1 3 353.378 3.398 20 0 FGADHM O=S(=O)(C[C@@H]1CCCCO1)[N-]C(c1cccs1)c1cccs1 ZINC000172604175 496359358 /nfs/dbraw/zinc/35/93/58/496359358.db2.gz XWOCYSOVYFEENA-LBPRGKRZSA-N -1 3 357.522 3.388 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)N1CCC(OCCc2ccccc2)CC1 ZINC000172626331 496367529 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COCCn1cc(NC(=O)c2cc(Oc3ccccc3)ccc2[O-])cn1 ZINC000157332072 496454662 /nfs/dbraw/zinc/45/46/62/496454662.db2.gz IYIRMPDNDRPGFR-UHFFFAOYSA-N -1 3 353.378 3.280 20 0 FGADHM C[C@H](NCc1nc2c3ccccc3oc2c(=O)[n-]1)[C@@H]1COc2ccccc21 ZINC000163061616 496458436 /nfs/dbraw/zinc/45/84/36/496458436.db2.gz CEGAWFZGORJGFZ-WFASDCNBSA-N -1 3 361.401 3.324 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-][C@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000181598881 496463888 /nfs/dbraw/zinc/46/38/88/496463888.db2.gz JCRUSSASBYIPIU-GXTWGEPZSA-N -1 3 373.883 3.219 20 0 FGADHM Cc1ccc(CCCC(=O)Nc2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)s1 ZINC000175644276 496480503 /nfs/dbraw/zinc/48/05/03/496480503.db2.gz GICJQQTZNZOISQ-LJQANCHMSA-N -1 3 371.462 3.073 20 0 FGADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H](C)CC(C)C)cc1Cl ZINC000157487624 496487611 /nfs/dbraw/zinc/48/76/11/496487611.db2.gz GMGQQQZAMVIUFA-VIFPVBQESA-N -1 3 350.843 3.150 20 0 FGADHM O=C(NCc1ccc(N2CCCCC2=O)cc1)NCc1ccc([O-])c(F)c1 ZINC000157491950 496488989 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CC[C@H]([N-]S(=O)(=O)c1cc(Cl)c(OC)cc1Cl)[C@@H]1CCCO1 ZINC000157705761 496533751 /nfs/dbraw/zinc/53/37/51/496533751.db2.gz QVBMKSMSNXXBPW-RYUDHWBXSA-N -1 3 368.282 3.238 20 0 FGADHM CSCC[C@H](NC(=O)c1ccco1)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000153654535 496534566 /nfs/dbraw/zinc/53/45/66/496534566.db2.gz RGZKXLXKOOTYHP-LBPRGKRZSA-N -1 3 368.842 3.129 20 0 FGADHM CCCS(=O)(=O)[N-]c1ccc(C(=O)Nc2ncc(CC)s2)cc1 ZINC000173053471 496534700 /nfs/dbraw/zinc/53/47/00/496534700.db2.gz SCROVOWBCIFQAB-UHFFFAOYSA-N -1 3 353.469 3.110 20 0 FGADHM O=S(=O)([N-]Cc1csc(-c2ccco2)n1)c1cc(F)cc(F)c1 ZINC000153660737 496535893 /nfs/dbraw/zinc/53/58/93/496535893.db2.gz ZVJLCKXMCOMFCJ-UHFFFAOYSA-N -1 3 356.375 3.160 20 0 FGADHM O=C(Nc1ccc(Cl)cc1F)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000181768326 496536927 /nfs/dbraw/zinc/53/69/27/496536927.db2.gz GCKJYJWIOHXMPH-HNNXBMFYSA-N -1 3 362.788 3.428 20 0 FGADHM C[C@H](C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1)C1CC1 ZINC000175769237 496537604 /nfs/dbraw/zinc/53/76/04/496537604.db2.gz RDDJNFKTCOXIGE-NSHDSACASA-N -1 3 350.846 3.269 20 0 FGADHM CO[C@@H]1CN(C(=O)c2cc(OCc3ccccc3)ccc2[O-])CC[C@@H]1C ZINC000187696775 496538178 /nfs/dbraw/zinc/53/81/78/496538178.db2.gz XPERCHGKYHFWRD-MGPUTAFESA-N -1 3 355.434 3.468 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]Cc2cc(-c3ccccc3)on2)c(F)cc1F ZINC000175792568 496547305 /nfs/dbraw/zinc/54/73/05/496547305.db2.gz BQBMJDHMWKRWNC-UHFFFAOYSA-N -1 3 364.373 3.407 20 0 FGADHM Cc1cccc2c(=O)c(C(=O)Nc3nncn3Cc3ccccc3)c[n-]c12 ZINC000163807616 496560339 /nfs/dbraw/zinc/56/03/39/496560339.db2.gz SKKMTLOXFPDUMY-UHFFFAOYSA-N -1 3 359.389 3.141 20 0 FGADHM O=C(CNC(=O)c1ccc(F)cc1F)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000175823152 496560700 /nfs/dbraw/zinc/56/07/00/496560700.db2.gz DTTGSXMQQNLLGU-UHFFFAOYSA-N -1 3 374.265 3.058 20 0 FGADHM Cc1c([O-])ccc2c(CNc3ccc(OC4COC4)cc3)cc(=O)oc12 ZINC000187768113 496563818 /nfs/dbraw/zinc/56/38/18/496563818.db2.gz XFNOXDALANLZMS-UHFFFAOYSA-N -1 3 353.374 3.197 20 0 FGADHM CC(C)(C)c1nsc(N2CCC(C(=O)Nc3ccccc3[O-])CC2)n1 ZINC000157825445 496564415 /nfs/dbraw/zinc/56/44/15/496564415.db2.gz KEZZCWLEHQSLTL-UHFFFAOYSA-N -1 3 360.483 3.396 20 0 FGADHM CN(Cc1nc(=O)c2c(-c3ccccc3)csc2[n-]1)C[C@@H]1CCOC1 ZINC000178772205 496565711 /nfs/dbraw/zinc/56/57/11/496565711.db2.gz GQSGWEOFZCVWHI-ZDUSSCGKSA-N -1 3 355.463 3.120 20 0 FGADHM CN(Cc1nc(=O)c2cc(-c3ccccc3)sc2[n-]1)C[C@@H]1CCOC1 ZINC000178783580 496569281 /nfs/dbraw/zinc/56/92/81/496569281.db2.gz GARRPBCMYJEBCQ-ZDUSSCGKSA-N -1 3 355.463 3.120 20 0 FGADHM COc1ccccc1CNC(=O)NCc1ccc([O-])c(Br)c1 ZINC000153778162 496576816 /nfs/dbraw/zinc/57/68/16/496576816.db2.gz GCSRWUAQLZBZLK-UHFFFAOYSA-N -1 3 365.227 3.163 20 0 FGADHM CN1C(=O)Cc2cc(S(=O)(=O)[N-]c3ccc(OC(C)(C)C)cc3)ccc21 ZINC000157889558 496578341 /nfs/dbraw/zinc/57/83/41/496578341.db2.gz OIOAIWPOVWMLOG-UHFFFAOYSA-N -1 3 374.462 3.184 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3c[nH]nc3-c3nccs3)c[n-]c12 ZINC000571947989 505853016 /nfs/dbraw/zinc/85/30/16/505853016.db2.gz WVGHLGGVMUVMSV-UHFFFAOYSA-N -1 3 369.381 3.075 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000175867756 496580267 /nfs/dbraw/zinc/58/02/67/496580267.db2.gz JVBGNMHZFUAKCW-SECBINFHSA-N -1 3 369.855 3.491 20 0 FGADHM COC(=O)c1c(C)nc(=O)[n-]c1SCCCc1ccccc1Cl ZINC000181943663 496606817 /nfs/dbraw/zinc/60/68/17/496606817.db2.gz MGLSMEWOUSHGBS-UHFFFAOYSA-N -1 3 352.843 3.243 20 0 FGADHM Cc1cccc2c(=O)c(C(=O)Nc3ccc(C4=NNC(=O)CC4)cc3)c[n-]c12 ZINC000164506604 496615775 /nfs/dbraw/zinc/61/57/75/496615775.db2.gz IPHBFTWRUYXSEE-UHFFFAOYSA-N -1 3 374.400 3.115 20 0 FGADHM O=S(=O)([N-][C@@H]1CCCC[C@H]1CO)c1ccc(Cl)cc1C(F)(F)F ZINC000178919204 496616869 /nfs/dbraw/zinc/61/68/69/496616869.db2.gz QKNMRASJJDPTPN-JOYOIKCWSA-N -1 3 371.808 3.188 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]CCC(=O)Nc2ccccc2)sc1Cl ZINC000187935139 496623828 /nfs/dbraw/zinc/62/38/28/496623828.db2.gz ZTZQJKZUNWGIRI-UHFFFAOYSA-N -1 3 358.872 3.017 20 0 FGADHM Cc1cccc2c(=O)c(C(=O)Nc3ccc(F)c(C(=O)N(C)C)c3)c[n-]c12 ZINC000164645944 496625166 /nfs/dbraw/zinc/62/51/66/496625166.db2.gz OUFSBJJSYNGZGN-UHFFFAOYSA-N -1 3 367.380 3.342 20 0 FGADHM CN1CC[C@H]([N-]S(=O)(=O)c2ccc(F)cc2Cl)[C@@H]1c1ccccc1 ZINC000178945449 496625837 /nfs/dbraw/zinc/62/58/37/496625837.db2.gz QSRPEYNESBDKBF-RDJZCZTQSA-N -1 3 368.861 3.203 20 0 FGADHM CC1(C)CCC[C@@H](C(=O)Nc2cc(N3CCCS3(=O)=O)ccc2[O-])C1 ZINC000178967281 496632316 /nfs/dbraw/zinc/63/23/16/496632316.db2.gz MLFBOKFPANIAAX-CYBMUJFWSA-N -1 3 366.483 3.087 20 0 FGADHM C[C@@H](O)[C@@H]1CCCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])C1 ZINC000153964841 496638131 /nfs/dbraw/zinc/63/81/31/496638131.db2.gz YKNFLXABPWTNOF-VQIMIIECSA-N -1 3 353.462 3.410 20 0 FGADHM C[C@H](CCNC(=O)c1cc(CCc2ccccc2)ccc1[O-])[S@@](C)=O ZINC000158152261 496638776 /nfs/dbraw/zinc/63/87/76/496638776.db2.gz OQEWEJNBBXQKGO-BZQUYTCOSA-N -1 3 359.491 3.064 20 0 FGADHM O=C(CCCSc1ccc(Br)cc1)[N-]OC[C@@H]1CCOC1 ZINC000187987333 496642298 /nfs/dbraw/zinc/64/22/98/496642298.db2.gz GQGQVVNQANWXBK-GFCCVEGCSA-N -1 3 374.300 3.406 20 0 FGADHM CCOC(=O)c1cnc(C(C)=Cc2ccc(OC(F)F)cc2)[n-]c1=O ZINC000188022699 496655541 /nfs/dbraw/zinc/65/55/41/496655541.db2.gz ZATQRJUGXBFUDD-CSKARUKUSA-N -1 3 350.321 3.109 20 0 FGADHM COc1cc(C(=O)N2CCc3[nH]c4ccccc4c3C2)cc(OC)c1[O-] ZINC000179083684 496669363 /nfs/dbraw/zinc/66/93/63/496669363.db2.gz GRPGETBMZQLLAP-UHFFFAOYSA-N -1 3 352.390 3.089 20 0 FGADHM C[C@H]1CCCN(CCNC(=O)c2ccc(C(=O)c3cccc([O-])c3)cc2)C1 ZINC000188134064 496697127 /nfs/dbraw/zinc/69/71/27/496697127.db2.gz OBOHRWDNWMRSDH-INIZCTEOSA-N -1 3 366.461 3.085 20 0 FGADHM CCc1ccc(C(=O)N2CCCC[C@@H]2CNC(=O)c2ccccc2)c([O-])c1 ZINC000188218899 496718317 /nfs/dbraw/zinc/71/83/17/496718317.db2.gz OFFKXXZGVWMERD-GOSISDBHSA-N -1 3 366.461 3.379 20 0 FGADHM COc1cc(C(=O)N2CCN(C3CC3)c3ccc(F)cc32)cc(OC)c1[O-] ZINC000185265620 496720805 /nfs/dbraw/zinc/72/08/05/496720805.db2.gz XDGOQFWFQUDLCS-UHFFFAOYSA-N -1 3 372.396 3.178 20 0 FGADHM O=C(N[C@@H]1CCO[C@H](C2CC2)C1)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000188243528 496722133 /nfs/dbraw/zinc/72/21/33/496722133.db2.gz LFHQZRDZUXWKDB-PWSUYJOCSA-N -1 3 351.859 3.479 20 0 FGADHM CC(C)(C)c1ccc2cc(C(=O)N3CCc4c(nc[n-]c4=O)C3)[nH]c2c1 ZINC000273196111 496737024 /nfs/dbraw/zinc/73/70/24/496737024.db2.gz HQMBHADJLHHQLF-UHFFFAOYSA-N -1 3 350.422 3.160 20 0 FGADHM Cc1ccc2c(ncc(C(=O)[O-])c2NC[C@H](c2ccco2)N(C)C)c1C ZINC000580895581 505862870 /nfs/dbraw/zinc/86/28/70/505862870.db2.gz VQXSSWKGXQZIOP-MRXNPFEDSA-N -1 3 353.422 3.280 20 0 FGADHM O=C(CCc1cccc(OC2CCCC2)c1)N1CCc2c(=O)[n-]cnc2C1 ZINC000273206359 496740249 /nfs/dbraw/zinc/74/02/49/496740249.db2.gz JCYMVMUCIGAUKB-UHFFFAOYSA-N -1 3 367.449 3.021 20 0 FGADHM CCc1ccc(C(=O)NCCc2nc(-c3ccccn3)cs2)c([O-])c1 ZINC000191378677 496743630 /nfs/dbraw/zinc/74/36/30/496743630.db2.gz NAXQHBHYKOZZCA-UHFFFAOYSA-N -1 3 353.447 3.446 20 0 FGADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000277418134 496766928 /nfs/dbraw/zinc/76/69/28/496766928.db2.gz HERQVRXYKOEMPQ-BBRMVZONSA-N -1 3 357.372 3.046 20 0 FGADHM CCCc1csc(NC([O-])=NOC[C@H](C)NC(=O)OC(C)(C)C)n1 ZINC000273459328 496811372 /nfs/dbraw/zinc/81/13/72/496811372.db2.gz HLSMBMOVKPDABO-JTQLQIEISA-N -1 3 358.464 3.062 20 0 FGADHM CCCc1csc(NC(=O)[N-]OC[C@H](C)NC(=O)OC(C)(C)C)n1 ZINC000273459328 496811377 /nfs/dbraw/zinc/81/13/77/496811377.db2.gz HLSMBMOVKPDABO-JTQLQIEISA-N -1 3 358.464 3.062 20 0 FGADHM Cc1cc(S(=O)(=O)Cc2n[n-]c(-c3cccs3)n2)nc2ccccc12 ZINC000195071760 496813247 /nfs/dbraw/zinc/81/32/47/496813247.db2.gz UHXRLSKHEVAGOH-UHFFFAOYSA-N -1 3 370.459 3.364 20 0 FGADHM Cc1cc(S(=O)(=O)Cc2nnc(-c3cccs3)[n-]2)nc2ccccc12 ZINC000195071760 496813255 /nfs/dbraw/zinc/81/32/55/496813255.db2.gz UHXRLSKHEVAGOH-UHFFFAOYSA-N -1 3 370.459 3.364 20 0 FGADHM Cc1cc(S(=O)(=O)Cc2nc(-c3cccs3)n[n-]2)nc2ccccc12 ZINC000195071760 496813261 /nfs/dbraw/zinc/81/32/61/496813261.db2.gz UHXRLSKHEVAGOH-UHFFFAOYSA-N -1 3 370.459 3.364 20 0 FGADHM Cc1cccc(-c2nc([C@@H]3CN(Cc4ccccc4)CCO3)no2)c1[O-] ZINC000273499112 496823780 /nfs/dbraw/zinc/82/37/80/496823780.db2.gz YBDIIPVWWVONHK-KRWDZBQOSA-N -1 3 351.406 3.324 20 0 FGADHM COc1ccc(CNC[C@@](C)(O)c2ccsc2)c(Br)c1[O-] ZINC000273599208 496850029 /nfs/dbraw/zinc/85/00/29/496850029.db2.gz FHWUOWIWACHACS-OAHLLOKOSA-N -1 3 372.284 3.222 20 0 FGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]C[C@H]3CC[C@H](C)O3)s2)cs1 ZINC000572012453 505869731 /nfs/dbraw/zinc/86/97/31/505869731.db2.gz DDOSSZAJLHKULR-GXSJLCMTSA-N -1 3 358.510 3.026 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N3CC[C@H](C(C)(C)C)[C@@H](O)C3)c[n-]c12 ZINC000273639471 496860409 /nfs/dbraw/zinc/86/04/09/496860409.db2.gz UHCCJXSHILRIEE-HOTGVXAUSA-N -1 3 360.429 3.257 20 0 FGADHM Cn1cc([C@@H]2CSCCN2Cc2cc([O-])ccc2Br)cn1 ZINC000191745338 496875950 /nfs/dbraw/zinc/87/59/50/496875950.db2.gz CXPKDCSPKXRZTN-HNNXBMFYSA-N -1 3 368.300 3.178 20 0 FGADHM CCOc1cc(-c2noc(Cn3ccc(C(F)(F)F)n3)n2)ccc1[O-] ZINC000277763881 496879455 /nfs/dbraw/zinc/87/94/55/496879455.db2.gz BVLRPXLLGIBFQD-UHFFFAOYSA-N -1 3 354.288 3.105 20 0 FGADHM COc1cc(C)cc(-c2nc(-c3ccc(C(=O)NC4CC4)cc3)no2)c1[O-] ZINC000273759083 496898439 /nfs/dbraw/zinc/89/84/39/496898439.db2.gz PTXWGFGUBRBVDP-UHFFFAOYSA-N -1 3 365.389 3.318 20 0 FGADHM CCC[C@H]1C[C@H](c2nc(-c3ccc([N-]S(C)(=O)=O)cc3)no2)CCO1 ZINC000273764554 496900623 /nfs/dbraw/zinc/90/06/23/496900623.db2.gz QMRBIQPQKPCQQR-HIFRSBDPSA-N -1 3 365.455 3.171 20 0 FGADHM O=C(C[C@H]1CCCN1C(=O)c1cc(F)cc2[n-]nnc21)c1cccs1 ZINC000277824395 496901270 /nfs/dbraw/zinc/90/12/70/496901270.db2.gz XFLTXPKRADEAPJ-LLVKDONJSA-N -1 3 358.398 3.036 20 0 FGADHM O=C(C[C@H]1CCCN1C(=O)c1cc(F)cc2nn[n-]c21)c1cccs1 ZINC000277824395 496901275 /nfs/dbraw/zinc/90/12/75/496901275.db2.gz XFLTXPKRADEAPJ-LLVKDONJSA-N -1 3 358.398 3.036 20 0 FGADHM O=C(C[C@H]1CCCN1C(=O)c1cc(F)cc2n[n-]nc21)c1cccs1 ZINC000277824395 496901279 /nfs/dbraw/zinc/90/12/79/496901279.db2.gz XFLTXPKRADEAPJ-LLVKDONJSA-N -1 3 358.398 3.036 20 0 FGADHM COc1ccc(C(=O)[N-]c2nnc(-c3cc4ccccc4o3)s2)nn1 ZINC000191849981 496910815 /nfs/dbraw/zinc/91/08/15/496910815.db2.gz ZLZOAWMYMUGHQT-UHFFFAOYSA-N -1 3 353.363 3.002 20 0 FGADHM CCN(C(=O)c1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1)c1cccc(C)c1C ZINC000269319316 496918616 /nfs/dbraw/zinc/91/86/16/496918616.db2.gz LEERFJNYAWYAAQ-OAQYLSRUSA-N -1 3 365.433 3.025 20 0 FGADHM O=C(NCc1ccc([O-])c(Br)c1)N[C@H]1CCOC2(CCC2)C1 ZINC000269357606 496928464 /nfs/dbraw/zinc/92/84/64/496928464.db2.gz TUDGDBGANDWXIS-LBPRGKRZSA-N -1 3 369.259 3.056 20 0 FGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1cc(Cl)c(F)c(Cl)c1 ZINC000191926410 496932472 /nfs/dbraw/zinc/93/24/72/496932472.db2.gz UVRQJKNRWQAPBY-UHFFFAOYSA-N -1 3 362.213 3.498 20 0 FGADHM CCc1ccc(C(=O)N[C@H](c2nccn2C)c2ccc(OC)cc2)c([O-])c1 ZINC000188891221 496938608 /nfs/dbraw/zinc/93/86/08/496938608.db2.gz CCXMUOJCUNCPSX-IBGZPJMESA-N -1 3 365.433 3.216 20 0 FGADHM C[C@H]1CN(C(C)(C)CNC(=O)c2cc([O-])ccc2C(F)(F)F)C[C@H](C)O1 ZINC000188947197 496956414 /nfs/dbraw/zinc/95/64/14/496956414.db2.gz MDQGRJJZJQGADX-RYUDHWBXSA-N -1 3 374.403 3.029 20 0 FGADHM C[C@@H]([N-]C(=O)C(F)(F)C(F)F)[C@H](OC1CCOCC1)c1ccccc1 ZINC000269518043 496962374 /nfs/dbraw/zinc/96/23/74/496962374.db2.gz KXOBZWZIGKVZGH-RISCZKNCSA-N -1 3 363.351 3.328 20 0 FGADHM Cc1cc(C)n(-c2ccc(-n3c([O-])c(CC(F)(F)F)[nH]c3=O)cc2F)n1 ZINC000277989665 496963007 /nfs/dbraw/zinc/96/30/07/496963007.db2.gz FHTXEWMWLYBVTJ-GFCCVEGCSA-N -1 3 370.306 3.005 20 0 FGADHM COc1cccc(C(=O)NCc2ccc(Br)c(F)c2)c1[O-] ZINC000195734195 496964445 /nfs/dbraw/zinc/96/44/45/496964445.db2.gz ZGBZKNZKXVLWHJ-UHFFFAOYSA-N -1 3 354.175 3.232 20 0 FGADHM O=C(N[C@H]1CCOC2(CCSCC2)C1)c1cc(=O)c2ccccc2[n-]1 ZINC000269548299 496968371 /nfs/dbraw/zinc/96/83/71/496968371.db2.gz XLGWTUFRAXPQQC-ZDUSSCGKSA-N -1 3 358.463 3.115 20 0 FGADHM C[C@@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)c1ccc2n[n-]nc2c1 ZINC000264771584 496981943 /nfs/dbraw/zinc/98/19/43/496981943.db2.gz QBDQWGJQUMUIFQ-PIGZYNQJSA-N -1 3 356.813 3.214 20 0 FGADHM O=C(Nc1cccc(Oc2cnccn2)c1)c1n[n-]nc1-c1ccccc1 ZINC000189057607 496994540 /nfs/dbraw/zinc/99/45/40/496994540.db2.gz SJIHZWASTSMSNG-UHFFFAOYSA-N -1 3 358.361 3.306 20 0 FGADHM CC(=O)Nc1cccc(CNC(=O)c2cc([O-])ccc2C(F)(F)F)c1 ZINC000189114613 497012888 /nfs/dbraw/zinc/01/28/88/497012888.db2.gz IRNAZHDDFPSCKW-UHFFFAOYSA-N -1 3 352.312 3.299 20 0 FGADHM COc1cccc([C@@H]2CCCN2C(=O)c2cc(OC)c([O-])c(OC)c2)c1 ZINC000269897475 497020379 /nfs/dbraw/zinc/02/03/79/497020379.db2.gz CVVMGISKYQPZHB-INIZCTEOSA-N -1 3 357.406 3.395 20 0 FGADHM O=c1[nH]c(CC(F)(F)F)c([O-])n1-c1ccc(OC(F)F)c(Cl)c1 ZINC000278180206 497029497 /nfs/dbraw/zinc/02/94/97/497029497.db2.gz VJUPCZIETYCVJL-SSDOTTSWSA-N -1 3 358.650 3.319 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CC[C@@H](C)C(C)(C)C2)c1 ZINC000274159987 497029806 /nfs/dbraw/zinc/02/98/06/497029806.db2.gz GZPZXBIYIZPRMH-GFCCVEGCSA-N -1 3 371.437 3.449 20 0 FGADHM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1cn(-c2ccc(Cl)cc2)nn1 ZINC000248535478 497032852 /nfs/dbraw/zinc/03/28/52/497032852.db2.gz KFMSAWUIDYTXDQ-DQYPLSBCSA-N -1 3 360.845 3.138 20 0 FGADHM CC(C)CO[C@H](C)c1noc(CN2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)n1 ZINC000248563309 497041200 /nfs/dbraw/zinc/04/12/00/497041200.db2.gz OMRLVCALBZONRA-QPSCCSFWSA-N -1 3 351.447 3.021 20 0 FGADHM CCOCCOc1c(Cl)cccc1NC([O-])=NO[C@H]1CCCCO1 ZINC000274218477 497044316 /nfs/dbraw/zinc/04/43/16/497044316.db2.gz PYHKDLYDBHFWND-AWEZNQCLSA-N -1 3 358.822 3.335 20 0 FGADHM CCOCCOc1c(Cl)cccc1NC(=O)[N-]O[C@H]1CCCCO1 ZINC000274218477 497044321 /nfs/dbraw/zinc/04/43/21/497044321.db2.gz PYHKDLYDBHFWND-AWEZNQCLSA-N -1 3 358.822 3.335 20 0 FGADHM COC(=O)[C@H](C)Cc1ccc(NC(=O)c2n[n-]nc2-c2ccccc2)cc1 ZINC000192241979 497045513 /nfs/dbraw/zinc/04/55/13/497045513.db2.gz PACRPJQGUAPMHP-CYBMUJFWSA-N -1 3 364.405 3.076 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CCC(=O)OC(C)(C)C)c2)n1 ZINC000192278426 497059728 /nfs/dbraw/zinc/05/97/28/497059728.db2.gz JMKBYCYITYCDEQ-UHFFFAOYSA-N -1 3 371.437 3.060 20 0 FGADHM Cc1nc([C@@](C)([N-]S(=O)(=O)c2ccc3ccccc3c2)C2CC2)no1 ZINC000572076098 505883049 /nfs/dbraw/zinc/88/30/49/505883049.db2.gz FNMJDBJPYRHVHX-SFHVURJKSA-N -1 3 357.435 3.135 20 0 FGADHM CCOc1cc(CN2CCO[C@@H]3CCC[C@H]32)cc(Br)c1[O-] ZINC000228143728 497093604 /nfs/dbraw/zinc/09/36/04/497093604.db2.gz PYGBXOPBVWNLNJ-ZIAGYGMSSA-N -1 3 356.260 3.307 20 0 FGADHM Cc1cc(=O)[n-]c([C@H](C)N2CCO[C@@H](c3ccc(F)cc3Cl)C2)n1 ZINC000248760776 497100082 /nfs/dbraw/zinc/10/00/82/497100082.db2.gz QQBINRREYLYPCZ-XHDPSFHLSA-N -1 3 351.809 3.418 20 0 FGADHM O=S(=O)([N-]C1Cc2ccccc2C1)c1ccc(Br)c(F)c1 ZINC000231030065 497108321 /nfs/dbraw/zinc/10/83/21/497108321.db2.gz HBHDYHSQLJAGLR-UHFFFAOYSA-N -1 3 370.243 3.034 20 0 FGADHM CC(C)n1cnnc1[C@H]1CCCN(C(=O)c2cc3c(cc2[O-])CCCC3)C1 ZINC000265372934 497109883 /nfs/dbraw/zinc/10/98/83/497109883.db2.gz DBBLYSVDXVKWPH-KRWDZBQOSA-N -1 3 368.481 3.463 20 0 FGADHM CC(C)O[C@@H](CN1CCC(n2cc(C(=O)[O-])cn2)CC1)c1ccccc1 ZINC000578199504 505885181 /nfs/dbraw/zinc/88/51/81/505885181.db2.gz KMWBUYRRBNYQME-IBGZPJMESA-N -1 3 357.454 3.385 20 0 FGADHM [O-]C(=NOC[C@@H]1CCOC1)Nc1cc(Cl)ccc1N1CCCCC1 ZINC000189452870 497121507 /nfs/dbraw/zinc/12/15/07/497121507.db2.gz RYQLHRRUSLAMCC-CYBMUJFWSA-N -1 3 353.850 3.420 20 0 FGADHM O=C([N-]OC[C@@H]1CCOC1)Nc1cc(Cl)ccc1N1CCCCC1 ZINC000189452870 497121509 /nfs/dbraw/zinc/12/15/09/497121509.db2.gz RYQLHRRUSLAMCC-CYBMUJFWSA-N -1 3 353.850 3.420 20 0 FGADHM [O-]C(=NOC[C@H]1CCOC1)Nc1cc(Cl)ccc1N1CCCCC1 ZINC000189452890 497121585 /nfs/dbraw/zinc/12/15/85/497121585.db2.gz RYQLHRRUSLAMCC-ZDUSSCGKSA-N -1 3 353.850 3.420 20 0 FGADHM O=C([N-]OC[C@H]1CCOC1)Nc1cc(Cl)ccc1N1CCCCC1 ZINC000189452890 497121586 /nfs/dbraw/zinc/12/15/86/497121586.db2.gz RYQLHRRUSLAMCC-ZDUSSCGKSA-N -1 3 353.850 3.420 20 0 FGADHM Cc1cccc(C(=O)NCC(=O)Nc2cc(Cl)ccc2Cl)c1[O-] ZINC000192479653 497129271 /nfs/dbraw/zinc/12/92/71/497129271.db2.gz XIDKQQGCZHSRDE-UHFFFAOYSA-N -1 3 353.205 3.376 20 0 FGADHM CCOC(=O)c1ccc(NC(=O)c2cc(COC(C)(C)C)on2)c([O-])c1 ZINC000274698244 497146659 /nfs/dbraw/zinc/14/66/59/497146659.db2.gz XEVVFJUTCWPOBS-UHFFFAOYSA-N -1 3 362.382 3.124 20 0 FGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CCCC[C@@H](C)C1 ZINC000274767140 497160576 /nfs/dbraw/zinc/16/05/76/497160576.db2.gz STENAXVSNSLYSE-CQSZACIVSA-N -1 3 354.454 3.134 20 0 FGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)NC1[C@@H](C)CCC[C@@H]1C ZINC000265695426 497162361 /nfs/dbraw/zinc/16/23/61/497162361.db2.gz XGQWPDZLIVYSNC-KBPBESRZSA-N -1 3 368.481 3.426 20 0 FGADHM O=S(=O)(CCc1cccs1)[N-][C@H](c1nccs1)c1ccccc1 ZINC000189593002 497175283 /nfs/dbraw/zinc/17/52/83/497175283.db2.gz RDICAXPDROWTCK-HNNXBMFYSA-N -1 3 364.517 3.456 20 0 FGADHM CN(Cc1ccccc1)[C@@H](CNC(=O)CC1(C(=O)[O-])CCCC1)C1CC1 ZINC000274891509 497191885 /nfs/dbraw/zinc/19/18/85/497191885.db2.gz ZULPFXPNAHNYGK-SFHVURJKSA-N -1 3 358.482 3.048 20 0 FGADHM CO[C@H](C)c1nc(C[N-]S(=O)(=O)c2cc(C)ccc2Cl)cs1 ZINC000270800119 497206150 /nfs/dbraw/zinc/20/61/50/497206150.db2.gz JFDNINXMDCVWQU-SNVBAGLBSA-N -1 3 360.888 3.291 20 0 FGADHM CCCN(C(=O)NCc1ccc([O-])c(F)c1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000265960610 497218547 /nfs/dbraw/zinc/21/85/47/497218547.db2.gz QIKBAHRALSAOEQ-KBRIMQKVSA-N -1 3 350.434 3.266 20 0 FGADHM C[C@@H](C(=O)NCCCCCC(=O)[O-])N1CCC(Cc2ccccc2)CC1 ZINC000237479902 497243622 /nfs/dbraw/zinc/24/36/22/497243622.db2.gz AWKWHAUDSZTETC-KRWDZBQOSA-N -1 3 360.498 3.091 20 0 FGADHM CCn1nccc1C1CCN(Cc2cc(=O)oc3c(C)c([O-])ccc23)CC1 ZINC000278865617 497246954 /nfs/dbraw/zinc/24/69/54/497246954.db2.gz LPAQYXNDQNAVLO-UHFFFAOYSA-N -1 3 367.449 3.403 20 0 FGADHM CCc1nn(C)c(CC)c1CC(=O)Nc1cc(Br)ccc1[O-] ZINC000189799347 497248164 /nfs/dbraw/zinc/24/81/64/497248164.db2.gz VQKODHXWBDIQHU-UHFFFAOYSA-N -1 3 366.259 3.194 20 0 FGADHM O=C([N-]OC[C@@H]1CCOC1)Nc1ccnc(Oc2ccc(F)cc2F)c1 ZINC000278890500 497256887 /nfs/dbraw/zinc/25/68/87/497256887.db2.gz DYLIDSVOWCJPDB-LLVKDONJSA-N -1 3 365.336 3.242 20 0 FGADHM O=C(N[C@@H]1CCC[C@H]2OCC[C@H]21)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000250130325 497261960 /nfs/dbraw/zinc/26/19/60/497261960.db2.gz WZBIPJISYPWFIB-MVWJERBFSA-N -1 3 351.859 3.479 20 0 FGADHM Cc1sc(CC(=O)Nc2ccccc2[N-]S(C)(=O)=O)nc1C(C)C ZINC000278913025 497265005 /nfs/dbraw/zinc/26/50/05/497265005.db2.gz BQPARLJXPLHZEC-UHFFFAOYSA-N -1 3 367.496 3.128 20 0 FGADHM CC1(C)[C@H](NC(=O)c2c[n-]nc2-c2ccc(Cl)s2)[C@@H]2CCO[C@@H]21 ZINC000189843968 497265125 /nfs/dbraw/zinc/26/51/25/497265125.db2.gz ABMHHZRMNIWPKI-PCTYZZJISA-N -1 3 351.859 3.335 20 0 FGADHM Cc1cc(Br)c(S(=O)(=O)[N-]Cc2cnc(C)s2)s1 ZINC000266182092 497275245 /nfs/dbraw/zinc/27/52/45/497275245.db2.gz PELYTUBVIKHBJH-UHFFFAOYSA-N -1 3 367.315 3.062 20 0 FGADHM CCCCCn1nc(C(=O)[N-]c2onc(C)c2C)c2ccccc2c1=O ZINC000266223166 497283524 /nfs/dbraw/zinc/28/35/24/497283524.db2.gz RWEJONWXVFAAFE-UHFFFAOYSA-N -1 3 354.410 3.444 20 0 FGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)[C@@H]2CCCc3ccccc32)c1 ZINC000266279479 497294622 /nfs/dbraw/zinc/29/46/22/497294622.db2.gz ZCPUXTGXRULJNJ-MRXNPFEDSA-N -1 3 358.463 3.425 20 0 FGADHM Cn1c(=O)oc2ccc(NC(=O)c3cc([O-])ccc3C(F)(F)F)cc21 ZINC000193077530 497295658 /nfs/dbraw/zinc/29/56/58/497295658.db2.gz FWAZGVYPNWECMA-UHFFFAOYSA-N -1 3 352.268 3.108 20 0 FGADHM CC(C)c1ncc(Cl)c(C(=O)[N-]c2nc(-c3cccs3)nn2C)n1 ZINC000193200541 497323193 /nfs/dbraw/zinc/32/31/93/497323193.db2.gz ZHBGALTZKHHATQ-UHFFFAOYSA-N -1 3 362.846 3.363 20 0 FGADHM CCCCOc1ccc(C(=O)N2CCC(C(=O)N3CCCC3)CC2)c([O-])c1 ZINC000190042524 497335803 /nfs/dbraw/zinc/33/58/03/497335803.db2.gz IRZWNMWLGNRGLN-UHFFFAOYSA-N -1 3 374.481 3.046 20 0 FGADHM O=C([N-]c1cc(-c2nc[nH]n2)ccc1F)c1csc([C@@H]2CCCO2)n1 ZINC000279156655 497351870 /nfs/dbraw/zinc/35/18/70/497351870.db2.gz FWWYURXWYYECGY-ZDUSSCGKSA-N -1 3 359.386 3.171 20 0 FGADHM C[C@]1(CNC(=O)c2c[n-]nc2-c2ccc(Cl)s2)CCCC[C@H]1O ZINC000190090896 497353831 /nfs/dbraw/zinc/35/38/31/497353831.db2.gz KFBZUMAIBHMSMX-MLGOLLRUSA-N -1 3 353.875 3.463 20 0 FGADHM COc1ccccc1-c1nc([N-]C(=O)c2ccoc2Br)n[nH]1 ZINC000193413617 497374506 /nfs/dbraw/zinc/37/45/06/497374506.db2.gz VNQPWQZSKVVUJR-UHFFFAOYSA-N -1 3 363.171 3.088 20 0 FGADHM CN(Cc1ccc([S@](C)=O)cc1)C(=O)c1cc([O-])ccc1C(F)(F)F ZINC000193450938 497383300 /nfs/dbraw/zinc/38/33/00/497383300.db2.gz 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CCN1CCC(n2nccc2NC(=O)c2ccc3[n-]c(=S)oc3c2)CC1 ZINC000266835389 497428350 /nfs/dbraw/zinc/42/83/50/497428350.db2.gz NEVZKCWEAILUET-UHFFFAOYSA-N -1 3 371.466 3.222 20 0 FGADHM CC[C@@](C)(O)CN(Cc1ccccc1)C(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000275893591 497457924 /nfs/dbraw/zinc/45/79/24/497457924.db2.gz JINXLZCTHWLFEK-OAQYLSRUSA-N -1 3 373.449 3.213 20 0 FGADHM Cc1c(C(=O)[N-]c2nnc(CC(C)C)s2)nnn1Cc1ccc(F)cc1 ZINC000193811545 497490363 /nfs/dbraw/zinc/49/03/63/497490363.db2.gz UNJFMWUDUYSSEN-UHFFFAOYSA-N -1 3 374.445 3.076 20 0 FGADHM O=C(Nc1cccc2c1OCC[C@H]2O)c1cc([O-])ccc1C(F)(F)F ZINC000193830720 497494868 /nfs/dbraw/zinc/49/48/68/497494868.db2.gz BILISKVYXOOISN-CQSZACIVSA-N -1 3 353.296 3.479 20 0 FGADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)[C@H]2CCCS2)CC1 ZINC000267179144 497498120 /nfs/dbraw/zinc/49/81/20/497498120.db2.gz NIIANPOPZJCRLY-OAHLLOKOSA-N -1 3 368.886 3.118 20 0 FGADHM CCc1ccc(C(=O)N2CCC(NC(=O)C3CCCCC3)CC2)c([O-])c1 ZINC000190558639 497528139 /nfs/dbraw/zinc/52/81/39/497528139.db2.gz PHNFEKCUMXWYIZ-UHFFFAOYSA-N -1 3 358.482 3.256 20 0 FGADHM CCNc1ccc(Cl)cc1C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000190575713 497533469 /nfs/dbraw/zinc/53/34/69/497533469.db2.gz SMJFOWRAJSTSEZ-UHFFFAOYSA-N -1 3 356.817 3.128 20 0 FGADHM CCNc1ccc(Cl)cc1C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000190575713 497533475 /nfs/dbraw/zinc/53/34/75/497533475.db2.gz SMJFOWRAJSTSEZ-UHFFFAOYSA-N -1 3 356.817 3.128 20 0 FGADHM CCCCOCCOCc1cccc(NC(=O)[N-]OC[C@H]2CCOC2)c1 ZINC000276323455 497544908 /nfs/dbraw/zinc/54/49/08/497544908.db2.gz DRGSKWWGHLGIAA-KRWDZBQOSA-N -1 3 366.458 3.110 20 0 FGADHM O=S(=O)([N-][C@@H]1C[C@@H]2OCCC[C@H]12)c1cc2cc(Cl)ccc2s1 ZINC000190630310 497552510 /nfs/dbraw/zinc/55/25/10/497552510.db2.gz JBTRYXLUMYRHKJ-UPJWGTAASA-N -1 3 357.884 3.401 20 0 FGADHM COC(=O)c1cc(NC(=O)c2cc(OC)c([O-])c(OC)c2)c(C)cc1C ZINC000276475132 497583539 /nfs/dbraw/zinc/58/35/39/497583539.db2.gz PTNUMYGDVAXSNR-UHFFFAOYSA-N -1 3 359.378 3.065 20 0 FGADHM CCc1ccc(S(=O)(=O)[N-]c2ccc(C)c(NC(=O)N(C)C)c2)cc1 ZINC000279909457 497584829 /nfs/dbraw/zinc/58/48/29/497584829.db2.gz RRXZRVJTYUUIIY-UHFFFAOYSA-N -1 3 361.467 3.452 20 0 FGADHM CCC[C@]1(CO)CCN(Cc2cc(Br)ccc2C(=O)[O-])C1 ZINC000569357123 505916170 /nfs/dbraw/zinc/91/61/70/505916170.db2.gz XANZMJZPPAGTAZ-INIZCTEOSA-N -1 3 356.260 3.132 20 0 FGADHM CCC1(C[N-]S(=O)(=O)c2cc(Cl)ccc2O[C@@H](C)COC)CC1 ZINC000190757846 497595428 /nfs/dbraw/zinc/59/54/28/497595428.db2.gz XMZVFPIIWAZGPT-LBPRGKRZSA-N -1 3 361.891 3.222 20 0 FGADHM O=S(=O)([N-][C@@H]1CCC[C@H]2OCC[C@H]21)c1cc(Cl)ccc1Cl ZINC000246016069 497597151 /nfs/dbraw/zinc/59/71/51/497597151.db2.gz MCTMBJSCWWKKLJ-CYZMBNFOSA-N -1 3 350.267 3.229 20 0 FGADHM Cc1cc(C(=O)NCc2cccc(NC(=O)N3CCCC3)c2)ccc1[O-] ZINC000272391663 497615602 /nfs/dbraw/zinc/61/56/02/497615602.db2.gz GVBQNGVMTWFXOY-UHFFFAOYSA-N -1 3 353.422 3.258 20 0 FGADHM Cc1cc(C(=O)Nc2ccc(C(N)=O)c(N3CCCCC3)c2)ccc1[O-] ZINC000272399133 497618580 /nfs/dbraw/zinc/61/85/80/497618580.db2.gz HODOEPNZWQIMBB-UHFFFAOYSA-N -1 3 353.422 3.042 20 0 FGADHM Cc1nc(C)c(CCC(=O)N[C@@H]2CC[C@H](c3ccc(F)cc3)C2)c(=O)[n-]1 ZINC000280019898 497621698 /nfs/dbraw/zinc/62/16/98/497621698.db2.gz QRNRPIWLHXCXOG-DOTOQJQBSA-N -1 3 357.429 3.323 20 0 FGADHM CC(=O)c1cccc(NC(=O)[C@H]2CCN(c3ccc(Cl)cc3)C2=O)c1[O-] ZINC000578346404 505919754 /nfs/dbraw/zinc/91/97/54/505919754.db2.gz DLRLXGBVZZERSX-OAHLLOKOSA-N -1 3 372.808 3.240 20 0 FGADHM Cc1cc(C(=O)N2CCC[C@H](c3nnc4n3CCCCC4)C2)ccc1[O-] ZINC000272592450 497673638 /nfs/dbraw/zinc/67/36/38/497673638.db2.gz NYVRTVBVDUEWRM-INIZCTEOSA-N -1 3 354.454 3.038 20 0 FGADHM COc1cc(C(=O)N[C@H](c2ccc3c(c2)OCCO3)C2CC2)ccc1[O-] ZINC000268083287 497674088 /nfs/dbraw/zinc/67/40/88/497674088.db2.gz QBSXGKWEAMDJJM-IBGZPJMESA-N -1 3 355.390 3.053 20 0 FGADHM C[C@@H](O)[C@](C)(CNC(=O)c1cc(=O)c2ccccc2[n-]1)Cc1ccccc1 ZINC000276873216 497675693 /nfs/dbraw/zinc/67/56/93/497675693.db2.gz UBHFNJNUVZSOOP-QRQCRPRQSA-N -1 3 364.445 3.300 20 0 FGADHM CC(C)=CCC[N-]S(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1 ZINC000276890379 497680042 /nfs/dbraw/zinc/68/00/42/497680042.db2.gz UGZRMZFUTYAGSU-UHFFFAOYSA-N -1 3 372.556 3.088 20 0 FGADHM C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)CN1CCC[C@H](CCC(=O)[O-])C1 ZINC000263059618 497694871 /nfs/dbraw/zinc/69/48/71/497694871.db2.gz FJCNDHJRRBEOBM-LSDHHAIUSA-N -1 3 366.889 3.436 20 0 FGADHM C[C@H](NC(=O)CN1CCC[C@H](CCC(=O)[O-])C1)c1ccc2c(c1)CCCC2 ZINC000263066688 497697850 /nfs/dbraw/zinc/69/78/50/497697850.db2.gz GFHQHOANLSCNRW-DLBZAZTESA-N -1 3 372.509 3.319 20 0 FGADHM COc1cc(CN2C[C@H](C)C[C@@H](C(=O)[O-])C2)ccc1OCc1ccncc1 ZINC000263095777 497704348 /nfs/dbraw/zinc/70/43/48/497704348.db2.gz VKAFEVAPVKRPJE-CRAIPNDOSA-N -1 3 370.449 3.212 20 0 FGADHM Cn1ccnc1-c1cccc([N-]S(=O)(=O)Cc2c(F)cccc2F)c1 ZINC000194567268 497706575 /nfs/dbraw/zinc/70/65/75/497706575.db2.gz XCVMPRHDFZYKCJ-UHFFFAOYSA-N -1 3 363.389 3.307 20 0 FGADHM COc1cc(C(=O)N2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)ccc1[O-] ZINC000277002223 497712310 /nfs/dbraw/zinc/71/23/10/497712310.db2.gz ZNCZGWGOAPKOBR-WMZOPIPTSA-N -1 3 359.397 3.268 20 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/nfs/dbraw/zinc/76/90/29/497769029.db2.gz VIKBPJVUZLXHSN-PKOBYXMFSA-N -1 3 366.461 3.262 20 0 FGADHM C[C@@H]1C[C@@H](C(=O)[O-])CN(CC(=O)N(Cc2ccccc2)c2ccccc2)C1 ZINC000263371020 497769151 /nfs/dbraw/zinc/76/91/51/497769151.db2.gz VIKBPJVUZLXHSN-IEBWSBKVSA-N -1 3 366.461 3.262 20 0 FGADHM C[C@H](CN(C)[C@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000263367657 497769605 /nfs/dbraw/zinc/76/96/05/497769605.db2.gz UIFBHTDFVSDWCF-GMTAPVOTSA-N -1 3 361.269 3.212 20 0 FGADHM CCC[C@@H](NC(=O)c1cc(OC)c([O-])c(OC)c1)[C@H](O)c1ccccc1 ZINC000280493955 497771740 /nfs/dbraw/zinc/77/17/40/497771740.db2.gz HFMFEMZSDHYCER-CRAIPNDOSA-N -1 3 359.422 3.042 20 0 FGADHM C[C@H]1C[C@@H](C(=O)[O-])CN(Cc2cccc(C(=O)Nc3ccccc3)c2)C1 ZINC000263380744 497772575 /nfs/dbraw/zinc/77/25/75/497772575.db2.gz XGMGZTIUHXXJMD-MAUKXSAKSA-N -1 3 352.434 3.482 20 0 FGADHM CC(=O)NCCN(Cc1ccc(Oc2cccc(F)c2)cc1)[C@H](C)C(=O)[O-] ZINC000263405485 497778054 /nfs/dbraw/zinc/77/80/54/497778054.db2.gz JODTVTVWDLHNBC-CQSZACIVSA-N -1 3 374.412 3.029 20 0 FGADHM Cc1cccc(Cl)c1[N-]S(=O)(=O)c1ccc(C(=O)N(C)C)cc1 ZINC000194808301 497778270 /nfs/dbraw/zinc/77/82/70/497778270.db2.gz JXTZFLGDZPHXKS-UHFFFAOYSA-N -1 3 352.843 3.151 20 0 FGADHM COc1cc(C[NH2+]C[C@H](CC(=O)[O-])C(C)(C)C)cc(Br)c1[O-] ZINC000277224739 497780817 /nfs/dbraw/zinc/78/08/17/497780817.db2.gz ICMLWIAURRQSKX-NSHDSACASA-N -1 3 374.275 3.390 20 0 FGADHM Cc1ccc(-c2nc(CN[C@@H](CN3CCCCC3)C(=O)[O-])cs2)cc1 ZINC000277235204 497784007 /nfs/dbraw/zinc/78/40/07/497784007.db2.gz IVIIOBWJWYENNC-KRWDZBQOSA-N -1 3 359.495 3.147 20 0 FGADHM O=C([O-])c1cccc(CN2CCC(n3cc(Br)cn3)CC2)c1 ZINC000263472155 497787258 /nfs/dbraw/zinc/78/72/58/497787258.db2.gz LPQFHMIAUOBFAF-UHFFFAOYSA-N -1 3 364.243 3.181 20 0 FGADHM COc1cc(Br)ccc1CN1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000263485876 497790210 /nfs/dbraw/zinc/79/02/10/497790210.db2.gz HJCSZDXDJGYHJJ-BLLLJJGKSA-N -1 3 354.244 3.144 20 0 FGADHM CC(C)(C)[C@H](NCc1cn(-c2ccc(Cl)cc2Cl)nn1)C(=O)[O-] ZINC000277299036 497797507 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499092623 /nfs/dbraw/zinc/09/26/23/499092623.db2.gz JNLGGMNMCRPGAO-UHFFFAOYSA-N -1 3 363.421 3.493 20 0 FGADHM Cc1cc(C2CCN(Cc3nc4c5ccccc5oc4c(=O)[n-]3)CC2)[nH]n1 ZINC000329294250 499092627 /nfs/dbraw/zinc/09/26/27/499092627.db2.gz JNLGGMNMCRPGAO-UHFFFAOYSA-N -1 3 363.421 3.493 20 0 FGADHM Cc1ccc2[n-]cc(C(=O)N3CCC[C@H](CC(C)(C)C(N)=O)C3)c(=O)c2c1 ZINC000295769553 499097811 /nfs/dbraw/zinc/09/78/11/499097811.db2.gz YNAGQPQBBIXVCW-CQSZACIVSA-N -1 3 369.465 3.003 20 0 FGADHM CC(C)OCCN1CCC(NC(=O)c2cccc(C(F)(F)F)c2[O-])CC1 ZINC000570293294 506134560 /nfs/dbraw/zinc/13/45/60/506134560.db2.gz NSZPDTNGQQKPQF-UHFFFAOYSA-N -1 3 374.403 3.030 20 0 FGADHM C[C@H]1CC[C@@](C)(C(=O)Nc2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)C1(C)C ZINC000582106883 506135576 /nfs/dbraw/zinc/13/55/76/506135576.db2.gz XYDSSDXSHCCUBC-OCCQLPPTSA-N -1 3 357.454 3.142 20 0 FGADHM CC(=O)N1CCC(C(=O)Nc2cc(F)ccc2[O-])(c2ccccc2)CC1 ZINC000366985957 499129799 /nfs/dbraw/zinc/12/97/99/499129799.db2.gz DYVXCFSHOHPFRE-UHFFFAOYSA-N -1 3 356.397 3.050 20 0 FGADHM CSc1ccc(C(=O)N2CCOC[C@H]2c2nc(C)cs2)c([O-])c1 ZINC000370123009 499184010 /nfs/dbraw/zinc/18/40/10/499184010.db2.gz QBTMOUHFBOTTPB-ZDUSSCGKSA-N -1 3 350.465 3.093 20 0 FGADHM Cc1noc([C@H]([N-]C(=O)C(F)(F)c2ccc(C)cc2)C2CCOCC2)n1 ZINC000370175592 499193190 /nfs/dbraw/zinc/19/31/90/499193190.db2.gz UJGTWMYPUWYINC-OAHLLOKOSA-N -1 3 365.380 3.062 20 0 FGADHM Cc1nc(C)c(CCC(=O)N2CC=C(c3cccc(F)c3)CC2)c(=O)[n-]1 ZINC000370251888 499202458 /nfs/dbraw/zinc/20/24/58/499202458.db2.gz YEDPOBXKQKZZKQ-UHFFFAOYSA-N -1 3 355.413 3.187 20 0 FGADHM Cc1n[n-]c(S(=O)(=O)[C@H](C)c2nc(C)c(-c3ccc(Cl)cc3)o2)n1 ZINC000367515407 499208013 /nfs/dbraw/zinc/20/80/13/499208013.db2.gz QGRDFGRXABLVDZ-SECBINFHSA-N -1 3 366.830 3.265 20 0 FGADHM Cc1nnc(S(=O)(=O)[C@H](C)c2nc(C)c(-c3ccc(Cl)cc3)o2)[n-]1 ZINC000367515407 499208015 /nfs/dbraw/zinc/20/80/15/499208015.db2.gz QGRDFGRXABLVDZ-SECBINFHSA-N -1 3 366.830 3.265 20 0 FGADHM CC(C)n1ccc(C[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)n1 ZINC000579291230 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Cn1cc(-c2nc(C(=O)[N-]c3cc(-c4cccc(F)c4)on3)cs2)cn1 ZINC000448539352 500769236 /nfs/dbraw/zinc/76/92/36/500769236.db2.gz TWVHDWMCVAAGLJ-UHFFFAOYSA-N -1 3 369.381 3.012 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)CC3(O)CCC3)cc2)cc1 ZINC000448554359 500771517 /nfs/dbraw/zinc/77/15/17/500771517.db2.gz JQKKZTKTSAXCFB-UHFFFAOYSA-N -1 3 374.462 3.039 20 0 FGADHM CC[C@@H](C)[C@@H]([N-]S(=O)(=O)c1ccc(OC)c(F)c1C)C(F)(F)F ZINC000443949633 500782794 /nfs/dbraw/zinc/78/27/94/500782794.db2.gz XDTBZJOFVLCTAO-AMIZOPFISA-N -1 3 357.369 3.398 20 0 FGADHM Cc1nc(C)c(CCC(=O)N2CCC(F)(c3ccccc3)CC2)c(=O)[n-]1 ZINC000434032527 500784435 /nfs/dbraw/zinc/78/44/35/500784435.db2.gz RVHXLWCSKMYWLQ-UHFFFAOYSA-N -1 3 357.429 3.219 20 0 FGADHM COC(=O)c1[n-]c(=NC2CCN(Cc3ccccc3C)CC2)sc1C ZINC000434094560 500794759 /nfs/dbraw/zinc/79/47/59/500794759.db2.gz XOABRDZDLPWQKZ-UHFFFAOYSA-N -1 3 359.495 3.045 20 0 FGADHM CC(C)(C)OC(=O)CCNC(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000444084497 500800859 /nfs/dbraw/zinc/80/08/59/500800859.db2.gz RWICIXVOLYGWSA-UHFFFAOYSA-N -1 3 369.417 3.085 20 0 FGADHM CC[C@@H]1CCCN1C(=O)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O ZINC000444123338 500806575 /nfs/dbraw/zinc/80/65/75/500806575.db2.gz BWRJWIOPYALEGL-SNVBAGLBSA-N -1 3 354.328 3.441 20 0 FGADHM CCCN(C[C@H]1COc2ccccc2O1)C(=O)Cc1ccc([O-])c(F)c1 ZINC000448700309 500807842 /nfs/dbraw/zinc/80/78/42/500807842.db2.gz WYGBATFDVFPEEB-HNNXBMFYSA-N -1 3 359.397 3.152 20 0 FGADHM O=C(c1ccc(C(=O)N2CCc3ncsc3C2)cc1)c1cccc([O-])c1 ZINC000438684406 500812671 /nfs/dbraw/zinc/81/26/71/500812671.db2.gz KBODJEMOMANNTL-UHFFFAOYSA-N -1 3 364.426 3.278 20 0 FGADHM O=S(=O)([N-]CCC[C@H]1CCCCO1)c1ccc(C(F)(F)F)cc1F ZINC000444190955 500815798 /nfs/dbraw/zinc/81/57/98/500815798.db2.gz YYHXSOTWWNPYAI-GFCCVEGCSA-N -1 3 369.380 3.472 20 0 FGADHM O=C(Nc1nnc(-c2ccccn2)[n-]1)c1ccccc1NCc1cccnc1 ZINC000434247963 500816243 /nfs/dbraw/zinc/81/62/43/500816243.db2.gz YVUNYALLAZIQJZ-UHFFFAOYSA-N -1 3 371.404 3.126 20 0 FGADHM O=C(Nc1nc(-c2ccccn2)n[n-]1)c1ccccc1NCc1cccnc1 ZINC000434247963 500816247 /nfs/dbraw/zinc/81/62/47/500816247.db2.gz YVUNYALLAZIQJZ-UHFFFAOYSA-N -1 3 371.404 3.126 20 0 FGADHM O=C(Nc1n[n-]c(-c2ccccn2)n1)c1ccccc1NCc1cccnc1 ZINC000434247963 500816249 /nfs/dbraw/zinc/81/62/49/500816249.db2.gz YVUNYALLAZIQJZ-UHFFFAOYSA-N -1 3 371.404 3.126 20 0 FGADHM Cc1ccc(Br)cc1CC(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000448772154 500829914 /nfs/dbraw/zinc/82/99/14/500829914.db2.gz QCUUKELMJUCUPQ-UHFFFAOYSA-N -1 3 363.137 3.076 20 0 FGADHM Cc1ccc(Br)cc1CC(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000448772154 500829917 /nfs/dbraw/zinc/82/99/17/500829917.db2.gz QCUUKELMJUCUPQ-UHFFFAOYSA-N -1 3 363.137 3.076 20 0 FGADHM CC1(C)[C@@H]2CN(C(=O)c3c[n-]c4c(OC(F)(F)F)cccc4c3=O)C[C@@H]21 ZINC000444295633 500830472 /nfs/dbraw/zinc/83/04/72/500830472.db2.gz STGZBFUAYOPFMH-TXEJJXNPSA-N -1 3 366.339 3.155 20 0 FGADHM Cc1ccc(Br)cc1C(=O)N=c1cc(-c2ccncc2)[n-][nH]1 ZINC000439142301 500862941 /nfs/dbraw/zinc/86/29/41/500862941.db2.gz OJIBSCJBZSIYJC-UHFFFAOYSA-N -1 3 357.211 3.217 20 0 FGADHM C[C@H](c1cccc(NC(=O)Cc2ccc([O-])c(F)c2)c1)N1CCOCC1 ZINC000448912535 500867686 /nfs/dbraw/zinc/86/76/86/500867686.db2.gz SOMOGCGJUZDQGO-CQSZACIVSA-N -1 3 358.413 3.106 20 0 FGADHM O=C(Cc1ccc([O-])cc1Cl)N1CCC(CO)(Cc2ccccc2)CC1 ZINC000444626459 500869185 /nfs/dbraw/zinc/86/91/85/500869185.db2.gz NNYHXOYPUMRNGK-UHFFFAOYSA-N -1 3 373.880 3.432 20 0 FGADHM O=S(=O)([N-]Cc1nc(-c2cccs2)c[nH]1)c1ccc(F)cc1Cl ZINC000439200799 500869349 /nfs/dbraw/zinc/86/93/49/500869349.db2.gz RULDYPMZGIAODT-UHFFFAOYSA-N -1 3 371.846 3.409 20 0 FGADHM COc1cc(F)c([N-]S(=O)(=O)c2c(C)cc(C)cc2OC)cc1F ZINC000434628488 500869620 /nfs/dbraw/zinc/86/96/20/500869620.db2.gz RUYPELXLMDBBPP-UHFFFAOYSA-N -1 3 357.378 3.400 20 0 FGADHM COCCCCC(=O)Nc1n[n-]c(-c2ccc(Br)cc2F)n1 ZINC000439252142 500875169 /nfs/dbraw/zinc/87/51/69/500875169.db2.gz PYWNAGGVQWWEHK-UHFFFAOYSA-N -1 3 371.210 3.129 20 0 FGADHM CC(C)(C)OC(=O)c1ccnc([N-]C(=O)c2nnc(C(C)(C)C)s2)c1 ZINC000598911879 506222723 /nfs/dbraw/zinc/22/27/23/506222723.db2.gz VVFLEDGNGXCKHU-UHFFFAOYSA-N -1 3 362.455 3.438 20 0 FGADHM O=C(Nc1nnc(-c2c(F)cccc2F)[n-]1)[C@H]1CCCc2cccnc21 ZINC000444776831 500897365 /nfs/dbraw/zinc/89/73/65/500897365.db2.gz CSGLGGBWNCXLSD-NSHDSACASA-N -1 3 355.348 3.204 20 0 FGADHM O=C(Nc1nc(-c2c(F)cccc2F)n[n-]1)[C@H]1CCCc2cccnc21 ZINC000444776831 500897369 /nfs/dbraw/zinc/89/73/69/500897369.db2.gz CSGLGGBWNCXLSD-NSHDSACASA-N -1 3 355.348 3.204 20 0 FGADHM O=C(Nc1n[n-]c(-c2c(F)cccc2F)n1)[C@H]1CCCc2cccnc21 ZINC000444776831 500897371 /nfs/dbraw/zinc/89/73/71/500897371.db2.gz CSGLGGBWNCXLSD-NSHDSACASA-N -1 3 355.348 3.204 20 0 FGADHM CC(C)(C)C[C@@H](NC(=O)CN1CC[C@@](C)(C(=O)[O-])C1)c1ccc(F)cc1 ZINC000449082596 500920510 /nfs/dbraw/zinc/92/05/10/500920510.db2.gz OLRKPRXFZCGGSX-OXQOHEQNSA-N -1 3 364.461 3.216 20 0 FGADHM O=S(=O)([N-][C@@H]1[C@@H]2CCc3ccccc3[C@@H]21)c1ccc(F)cc1Cl ZINC000435219988 500945404 /nfs/dbraw/zinc/94/54/04/500945404.db2.gz KBSYXODGADXRSC-XOKHGSTOSA-N -1 3 351.830 3.486 20 0 FGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCCN(C(C)C)C2)c1Cl ZINC000435433738 500975679 /nfs/dbraw/zinc/97/56/79/500975679.db2.gz PBPUTCMHXKYSEA-LBPRGKRZSA-N -1 3 365.326 3.453 20 0 FGADHM CC(C)n1cnc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccc3ccccc3c2)c1 ZINC000435440793 500978264 /nfs/dbraw/zinc/97/82/64/500978264.db2.gz ZSIXOTXAFOJJQA-ZWKOTPCHSA-N -1 3 355.463 3.452 20 0 FGADHM CC(C)N1CCC[C@@H]([N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)C1 ZINC000435446068 500979504 /nfs/dbraw/zinc/97/95/04/500979504.db2.gz JDDNPLPZFPVPLG-SNVBAGLBSA-N -1 3 369.289 3.284 20 0 FGADHM CCOc1cc(-c2noc(-c3ccnc(O[C@@H]4CCOC4)c3)n2)ccc1[O-] ZINC000445419716 500983484 /nfs/dbraw/zinc/98/34/84/500983484.db2.gz RXPYXVMQDIIJIZ-CQSZACIVSA-N -1 3 369.377 3.071 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]Cc2cc(-c3ccccc3)no2)c(F)cc1F ZINC000440399371 501005095 /nfs/dbraw/zinc/00/50/95/501005095.db2.gz QYWHDRLUAXZVRV-UHFFFAOYSA-N -1 3 364.373 3.407 20 0 FGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)Nc2ccc(C)s2)cc1OC ZINC000440581267 501025545 /nfs/dbraw/zinc/02/55/45/501025545.db2.gz FCVZHQHPRFHKNI-UHFFFAOYSA-N -1 3 369.468 3.471 20 0 FGADHM CC(C)N(C)c1ccccc1C[N-]S(=O)(=O)c1cccc(F)c1F ZINC000445733222 501025941 /nfs/dbraw/zinc/02/59/41/501025941.db2.gz NIEIODLONKGNTE-UHFFFAOYSA-N -1 3 354.422 3.288 20 0 FGADHM O=S(=O)([N-]C[C@H]1CCCCN1Cc1cccc(Cl)c1)c1ccco1 ZINC000445747039 501027705 /nfs/dbraw/zinc/02/77/05/501027705.db2.gz FSGGKYYSLWCHSI-MRXNPFEDSA-N -1 3 368.886 3.266 20 0 FGADHM Cc1ccc([O-])c(-c2nc(CC(=O)NCc3cccc(Cl)c3)no2)c1 ZINC000445843239 501039694 /nfs/dbraw/zinc/03/96/94/501039694.db2.gz WQLUPQYPYHEQHU-UHFFFAOYSA-N -1 3 357.797 3.263 20 0 FGADHM O=c1[nH]c(CC(F)(F)F)c([O-])n1-c1cccc(Oc2ccccn2)c1 ZINC000445961654 501055765 /nfs/dbraw/zinc/05/57/65/501055765.db2.gz JTMYUWWVNCYTTM-GFCCVEGCSA-N -1 3 351.284 3.251 20 0 FGADHM CC1=C[C@@H](C)CN(C(=O)c2c[n-]c3ccc(Br)cc3c2=O)C1 ZINC000436006737 501056146 /nfs/dbraw/zinc/05/61/46/501056146.db2.gz KYWPOVXJZQQKOK-SNVBAGLBSA-N -1 3 361.239 3.329 20 0 FGADHM Cc1conc1[N-]C(=O)c1cnn(-c2cccc(C)c2)c1C(F)(F)F ZINC000436006242 501056155 /nfs/dbraw/zinc/05/61/55/501056155.db2.gz IPUWYMHRMQBFNY-UHFFFAOYSA-N -1 3 350.300 3.170 20 0 FGADHM COc1ccc(CN2CCC[C@]3(CCOC3)C2)c(Br)c1[O-] ZINC000449678051 501060391 /nfs/dbraw/zinc/06/03/91/501060391.db2.gz DPNDTKTVTQHDAF-INIZCTEOSA-N -1 3 356.260 3.166 20 0 FGADHM COC(=O)c1cccc(F)c1[N-]C(=O)c1cnc(-c2ccccn2)s1 ZINC000446099962 501074615 /nfs/dbraw/zinc/07/46/15/501074615.db2.gz LZMPMUYKBVJQLA-UHFFFAOYSA-N -1 3 357.366 3.383 20 0 FGADHM CCC[C@H](OC)C(=O)Nc1n[n-]c(-c2ccc(Br)cc2F)n1 ZINC000449854553 501108495 /nfs/dbraw/zinc/10/84/95/501108495.db2.gz YCAURIHYZHCHPD-NSHDSACASA-N -1 3 371.210 3.127 20 0 FGADHM O=C(Cc1ccc([O-])c(F)c1)Nc1ccc(O[C@H]2CCCC[C@H]2O)cc1 ZINC000449932665 501129273 /nfs/dbraw/zinc/12/92/73/501129273.db2.gz VVKFOFLMVOVWQK-MOPGFXCFSA-N -1 3 359.397 3.395 20 0 FGADHM CCOc1nc2cc(C(=O)NC[C@@H]3CCO[C@@H]3c3ccccc3)ccc2[n-]1 ZINC000449938493 501131261 /nfs/dbraw/zinc/13/12/61/501131261.db2.gz JJFYXAUTMWZNGN-QFBILLFUSA-N -1 3 365.433 3.469 20 0 FGADHM CCOc1nc2ccc(C(=O)NC[C@@H]3CCO[C@@H]3c3ccccc3)cc2[n-]1 ZINC000449938493 501131264 /nfs/dbraw/zinc/13/12/64/501131264.db2.gz JJFYXAUTMWZNGN-QFBILLFUSA-N -1 3 365.433 3.469 20 0 FGADHM CCOc1nc2cc(C(=O)N3CCC(n4cc(Cl)cn4)CC3)ccc2[n-]1 ZINC000450498398 501137275 /nfs/dbraw/zinc/13/72/75/501137275.db2.gz IJWBQQGOWCBVPQ-UHFFFAOYSA-N -1 3 373.844 3.289 20 0 FGADHM CCOc1nc2ccc(C(=O)N3CCC(n4cc(Cl)cn4)CC3)cc2[n-]1 ZINC000450498398 501137276 /nfs/dbraw/zinc/13/72/76/501137276.db2.gz IJWBQQGOWCBVPQ-UHFFFAOYSA-N -1 3 373.844 3.289 20 0 FGADHM Cc1cc(C)cc([C@@H](C)NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])c1 ZINC000436490111 501137877 /nfs/dbraw/zinc/13/78/77/501137877.db2.gz XPHJIGGRZLACOC-APWZRJJASA-N -1 3 366.461 3.491 20 0 FGADHM COc1cc(-c2noc(-c3ccc4c(c3)NC(=O)C4(C)C)n2)ccc1[O-] ZINC000436520494 501146251 /nfs/dbraw/zinc/14/62/51/501146251.db2.gz GOJAUUYPIVZVAZ-UHFFFAOYSA-N -1 3 351.362 3.348 20 0 FGADHM CCc1[n-][nH]c(=NC(=O)[C@@H]2C[C@H]2CC(C)C)c1-c1ccc2c(c1)OCO2 ZINC000449990594 501147438 /nfs/dbraw/zinc/14/74/38/501147438.db2.gz SDIQKYSMGSUTGL-ZIAGYGMSSA-N -1 3 355.438 3.410 20 0 FGADHM CC(C)[C@H](CNC(=O)c1cc(F)c([O-])c(F)c1)N1CCc2ccccc2C1 ZINC000436527212 501148397 /nfs/dbraw/zinc/14/83/97/501148397.db2.gz CTTBRWZQRIMNIZ-IBGZPJMESA-N -1 3 374.431 3.483 20 0 FGADHM C[C@@H](F)CCNC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436539941 501151960 /nfs/dbraw/zinc/15/19/60/501151960.db2.gz WZYPOCZLRSEPED-KDOFPFPSSA-N -1 3 358.413 3.118 20 0 FGADHM CC[C@H](C)NC(=O)c1ccc(NC(=O)c2cc(OC)ccc2[O-])c(C)c1 ZINC000436550475 501154557 /nfs/dbraw/zinc/15/45/57/501154557.db2.gz IQNVGIGQQNORAX-ZDUSSCGKSA-N -1 3 356.422 3.490 20 0 FGADHM CC(C)NC(=O)c1ccc(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)cc1 ZINC000436557400 501155813 /nfs/dbraw/zinc/15/58/13/501155813.db2.gz NTXMRSYBOBMRBV-UHFFFAOYSA-N -1 3 368.433 3.496 20 0 FGADHM CCNC(=O)c1ccc(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)cc1 ZINC000436560956 501157145 /nfs/dbraw/zinc/15/71/45/501157145.db2.gz DPSDVJTVPHUREU-UHFFFAOYSA-N -1 3 354.406 3.108 20 0 FGADHM Cc1cccc(C(=O)Nc2ccc(C(=O)N(C)C3CCOCC3)cc2)c1[O-] ZINC000436574590 501160417 /nfs/dbraw/zinc/16/04/17/501160417.db2.gz GSBXZYLEQZTJJR-UHFFFAOYSA-N -1 3 368.433 3.204 20 0 FGADHM NC(=O)c1cccc(CNC(=O)c2cc(CCc3ccccc3)ccc2[O-])c1 ZINC000436575563 501160510 /nfs/dbraw/zinc/16/05/10/501160510.db2.gz IYFIBTMMWXJZDT-UHFFFAOYSA-N -1 3 374.440 3.206 20 0 FGADHM CC(C)N1CCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])CC1 ZINC000436579619 501161202 /nfs/dbraw/zinc/16/12/02/501161202.db2.gz CYRGTRAJSHBHAG-UHFFFAOYSA-N -1 3 352.478 3.344 20 0 FGADHM O=C(N[C@H]1CCc2c[nH]nc2C1)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436585200 501162795 /nfs/dbraw/zinc/16/27/95/501162795.db2.gz PHINERYVQKXFLC-SFHVURJKSA-N -1 3 361.445 3.188 20 0 FGADHM CC(C)c1ccc(C(=O)Nc2ccc(OC[C@H](O)CN(C)C)cc2)c([O-])c1 ZINC000436584262 501163217 /nfs/dbraw/zinc/16/32/17/501163217.db2.gz MCNLGEJMPIUTMY-QGZVFWFLSA-N -1 3 372.465 3.069 20 0 FGADHM C[C@@H](CO[C@@H]1CCOC1)NC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436586214 501163930 /nfs/dbraw/zinc/16/39/30/501163930.db2.gz SAGWBCFCIYIKSB-WMLDXEAASA-N -1 3 357.406 3.108 20 0 FGADHM Cc1ccc(C(=O)N2CCOC[C@H]2CC(=O)c2cccs2)c([O-])c1C ZINC000436587593 501163936 /nfs/dbraw/zinc/16/39/36/501163936.db2.gz XJSLYEKQOTXZGS-CQSZACIVSA-N -1 3 359.447 3.185 20 0 FGADHM CC1(C)Cc2ccc(C(=O)NCc3ccn(C4CCCC4)n3)c([O-])c2O1 ZINC000436596216 501165849 /nfs/dbraw/zinc/16/58/49/501165849.db2.gz PLSBWTCSZKUBRU-UHFFFAOYSA-N -1 3 355.438 3.347 20 0 FGADHM O=C(N[C@@H](C(=O)Nc1ccccc1)c1ccccc1)c1ccc(O)cc1[O-] ZINC000436596241 501165902 /nfs/dbraw/zinc/16/59/02/501165902.db2.gz PNIKQUIPKICTAH-LJQANCHMSA-N -1 3 362.385 3.208 20 0 FGADHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1CC[C@H]1c1ccccc1 ZINC000441711432 501166657 /nfs/dbraw/zinc/16/66/57/501166657.db2.gz BROJEAZBGFQHGU-AWEZNQCLSA-N -1 3 372.446 3.145 20 0 FGADHM Cc1ccc(CS(=O)(=O)[N-]c2nc3cc(F)ccc3n2C)c(F)c1 ZINC000446823105 501169052 /nfs/dbraw/zinc/16/90/52/501169052.db2.gz IRTYRWDHFOOASX-UHFFFAOYSA-N -1 3 351.378 3.102 20 0 FGADHM CS[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C[C@@H]1N1CCCC1 ZINC000436610073 501169439 /nfs/dbraw/zinc/16/94/39/501169439.db2.gz JELGORVRKOJHCM-DZGCQCFKSA-N -1 3 374.428 3.063 20 0 FGADHM CC(C)(C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1)c1ccccc1 ZINC000436636138 501175329 /nfs/dbraw/zinc/17/53/29/501175329.db2.gz XOPJPXQDKUJCEX-UHFFFAOYSA-N -1 3 366.461 3.091 20 0 FGADHM C[C@H](CNC(=O)c1c([O-])cccc1O)Oc1ccc(Br)cc1 ZINC000436647431 501178087 /nfs/dbraw/zinc/17/80/87/501178087.db2.gz KQIBTDMKAZHCCQ-SNVBAGLBSA-N -1 3 366.211 3.058 20 0 FGADHM CC(C)[C@@H](NC(=O)c1cc(OCc2ccccc2)ccc1[O-])c1ncon1 ZINC000436646977 501178161 /nfs/dbraw/zinc/17/81/61/501178161.db2.gz IKGKLVZRCLWBDK-GOSISDBHSA-N -1 3 367.405 3.481 20 0 FGADHM CCCCOc1ccc(C(=O)N2CCOc3cc(O)ccc3C2)c([O-])c1 ZINC000436653347 501179543 /nfs/dbraw/zinc/17/95/43/501179543.db2.gz DFIKDMKLDAEDQS-UHFFFAOYSA-N -1 3 357.406 3.312 20 0 FGADHM Cc1ccc(CNC(=O)Cc2ccc([O-])c(F)c2)c(OC[C@@H]2CCCO2)c1 ZINC000450101171 501181146 /nfs/dbraw/zinc/18/11/46/501181146.db2.gz CPOMYLHWOYJGNY-KRWDZBQOSA-N -1 3 373.424 3.256 20 0 FGADHM Cc1ccc(C(=O)N2CCN(C(=O)c3cccc(Cl)c3)CC2)c([O-])c1C ZINC000436665435 501182193 /nfs/dbraw/zinc/18/21/93/501182193.db2.gz OOJHKWICXJAVPE-UHFFFAOYSA-N -1 3 372.852 3.261 20 0 FGADHM O=C(NCCCNC(=O)c1cccc([O-])c1)c1cc2ccc(Cl)cc2[nH]1 ZINC000588218586 506239151 /nfs/dbraw/zinc/23/91/51/506239151.db2.gz WASRMAWLBQQKGO-UHFFFAOYSA-N -1 3 371.824 3.077 20 0 FGADHM COc1ccc([C@H](CN(C)C)NC(=O)c2cc(F)cc(Cl)c2[O-])cc1 ZINC000436670234 501184046 /nfs/dbraw/zinc/18/40/46/501184046.db2.gz FLDFCVPYVCVJAR-INIZCTEOSA-N -1 3 366.820 3.226 20 0 FGADHM Cc1ccc(C(=O)NC2CCN(Cc3ccc(F)c(F)c3)CC2)c([O-])c1 ZINC000436677206 501185732 /nfs/dbraw/zinc/18/57/32/501185732.db2.gz BXGLPXNMFULEFZ-UHFFFAOYSA-N -1 3 360.404 3.373 20 0 FGADHM CCc1cc(=O)c2cc(NC(=O)c3cc(OC)c([O-])c(OC)c3)ccc2[nH]1 ZINC000436678175 501185887 /nfs/dbraw/zinc/18/58/87/501185887.db2.gz FWZTZCSAKSIETO-UHFFFAOYSA-N -1 3 368.389 3.066 20 0 FGADHM CC(C)(C)CCN1CCN(C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)CC1 ZINC000436681778 501187011 /nfs/dbraw/zinc/18/70/11/501187011.db2.gz OITRZWDQNODJKK-UHFFFAOYSA-N -1 3 360.498 3.300 20 0 FGADHM Cc1ccc(C(=O)NCCNC(=O)c2ccc(C(C)C)cc2[O-])cc1F ZINC000436685302 501187596 /nfs/dbraw/zinc/18/75/96/501187596.db2.gz LRDMLHVMNNHDNB-UHFFFAOYSA-N -1 3 358.413 3.123 20 0 FGADHM O=C(N[C@H](CO)CC(F)(F)F)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436694255 501189666 /nfs/dbraw/zinc/18/96/66/501189666.db2.gz AAQUHBKHXGOTHQ-NSHDSACASA-N -1 3 355.312 3.228 20 0 FGADHM COc1cccc(CN(C[C@@H]2CCCO2)C(=O)c2cc(OC)ccc2[O-])c1 ZINC000436715161 501195343 /nfs/dbraw/zinc/19/53/43/501195343.db2.gz VUSIRCHEVIHBLP-SFHVURJKSA-N -1 3 371.433 3.231 20 0 FGADHM COc1cccc(CN(C[C@H]2CCCO2)C(=O)c2cc(OC)ccc2[O-])c1 ZINC000436715160 501195727 /nfs/dbraw/zinc/19/57/27/501195727.db2.gz VUSIRCHEVIHBLP-GOSISDBHSA-N -1 3 371.433 3.231 20 0 FGADHM Cc1cccc(C(=O)N(CCO)Cc2cccc(Br)c2)c1[O-] ZINC000436721130 501196464 /nfs/dbraw/zinc/19/64/64/501196464.db2.gz GQIZYDABZRUVEE-UHFFFAOYSA-N -1 3 364.239 3.098 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](C)c2nccn2-c2ccccc2)c1 ZINC000436732388 501200130 /nfs/dbraw/zinc/20/01/30/501200130.db2.gz DADHXZRAMHXRNB-CYBMUJFWSA-N -1 3 364.405 3.027 20 0 FGADHM CC(C)c1ccc(C(=O)NCCCn2cc(Br)cn2)c([O-])c1 ZINC000436736003 501200826 /nfs/dbraw/zinc/20/08/26/501200826.db2.gz FIKVIWVEIHSFSR-UHFFFAOYSA-N -1 3 366.259 3.295 20 0 FGADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CC2(C1)CCCOC2 ZINC000436735473 501201060 /nfs/dbraw/zinc/20/10/60/501201060.db2.gz CIAWQMMEHHIINX-UHFFFAOYSA-N -1 3 351.446 3.430 20 0 FGADHM Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)c3ccncc23)c([O-])c1 ZINC000436752565 501204318 /nfs/dbraw/zinc/20/43/18/501204318.db2.gz AUPRIFGOJDEYNQ-UHFFFAOYSA-N -1 3 363.417 3.338 20 0 FGADHM CNC(=O)Nc1cccc(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)c1 ZINC000436755805 501205189 /nfs/dbraw/zinc/20/51/89/501205189.db2.gz ABEQMRJBKFRCCB-UHFFFAOYSA-N -1 3 355.394 3.109 20 0 FGADHM COc1cc(C)cc(C(=O)Nc2ccc(NC(=O)NC3CC3)cc2)c1[O-] ZINC000436757073 501206148 /nfs/dbraw/zinc/20/61/48/501206148.db2.gz SZMXQKDUMFZZDE-UHFFFAOYSA-N -1 3 355.394 3.245 20 0 FGADHM CN(C)[C@@H](CNC(=O)c1ccc2c(c1[O-])OC(C)(C)C2)c1cccc(F)c1 ZINC000436772212 501208589 /nfs/dbraw/zinc/20/85/89/501208589.db2.gz DBCNSXCUDIVVTG-KRWDZBQOSA-N -1 3 372.440 3.278 20 0 FGADHM O=C(Nc1cccc(-c2nc(-c3ccc([O-])cc3)no2)c1)[C@H]1CCCO1 ZINC000436770779 501208773 /nfs/dbraw/zinc/20/87/73/501208773.db2.gz UQJPBMKLLXRNIN-MRXNPFEDSA-N -1 3 351.362 3.227 20 0 FGADHM CC1(C)Cc2ccc(C(=O)NC[C@@H]3CCN(c4ccccc4)C3)c([O-])c2O1 ZINC000436776480 501209609 /nfs/dbraw/zinc/20/96/09/501209609.db2.gz JHRIHIDIOLDHLK-HNNXBMFYSA-N -1 3 366.461 3.362 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](C)[C@@H]2Oc3ccccc3[C@@H]2C)c1 ZINC000436786085 501211395 /nfs/dbraw/zinc/21/13/95/501211395.db2.gz BRCFDBDDPXKZLP-AVCJSFLBSA-N -1 3 354.406 3.034 20 0 FGADHM C[C@H](CCc1cccc(F)c1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436787431 501211763 /nfs/dbraw/zinc/21/17/63/501211763.db2.gz OGIBFARZABVPPO-MRXNPFEDSA-N -1 3 356.441 3.310 20 0 FGADHM CCCOc1cc(C)ccc1CNC(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000436791369 501212156 /nfs/dbraw/zinc/21/21/56/501212156.db2.gz RAQMFZDZCCKBCY-UHFFFAOYSA-N -1 3 356.422 3.378 20 0 FGADHM COC(=O)COc1cccc(NC(=O)c2cc3c(cc2[O-])CCCC3)c1 ZINC000436825100 501217133 /nfs/dbraw/zinc/21/71/33/501217133.db2.gz FGJOGJRWKFVMEK-UHFFFAOYSA-N -1 3 355.390 3.075 20 0 FGADHM O=C(Nc1cccc(CN2CC[C@H](O)C2)c1)c1ccc2ccccc2c1[O-] ZINC000436830109 501217780 /nfs/dbraw/zinc/21/77/80/501217780.db2.gz CMOVQNVMHHRKSJ-SFHVURJKSA-N -1 3 362.429 3.364 20 0 FGADHM CC(=O)c1[n-]c(=NC2CCN(Cc3ccc(F)c(F)c3)CC2)sc1C ZINC000450263060 501221645 /nfs/dbraw/zinc/22/16/45/501221645.db2.gz APQUHAPJIWFUNN-UHFFFAOYSA-N -1 3 365.449 3.431 20 0 FGADHM CC(=O)c1ccc(C(=O)NC[C@H](c2ccccc2)N2CCCC2)cc1[O-] ZINC000436855960 501221793 /nfs/dbraw/zinc/22/17/93/501221793.db2.gz YIAMDRPYEVYDBD-LJQANCHMSA-N -1 3 352.434 3.162 20 0 FGADHM CCOc1cc(-c2noc(-c3ccc(C(=O)OC)cc3F)n2)ccc1[O-] ZINC000436876656 501226281 /nfs/dbraw/zinc/22/62/81/501226281.db2.gz JROQDBAJBAKPER-UHFFFAOYSA-N -1 3 358.325 3.434 20 0 FGADHM O=C(Cc1noc(-c2cc3c(cc2[O-])CCCC3)n1)NC1CCCCC1 ZINC000436887362 501227323 /nfs/dbraw/zinc/22/73/23/501227323.db2.gz OGWLNUQWXPNCRG-UHFFFAOYSA-N -1 3 355.438 3.312 20 0 FGADHM CCC[C@H](NC(=O)[C@@H](C)N1CCC(c2n[n-]c(=O)o2)CC1)c1ccccc1 ZINC000450913457 501228844 /nfs/dbraw/zinc/22/88/44/501228844.db2.gz JGLJKULRVCRASG-PBHICJAKSA-N -1 3 372.469 3.001 20 0 FGADHM COc1ccc([O-])c(-c2nc(CC(=O)Nc3ccccc3Cl)no2)c1 ZINC000436895328 501229281 /nfs/dbraw/zinc/22/92/81/501229281.db2.gz IHCSTDHDJZBHFG-UHFFFAOYSA-N -1 3 359.769 3.285 20 0 FGADHM COc1ccc([C@H](NC(=O)c2cc(OC)ccc2[O-])C(F)(F)F)cc1 ZINC000436901856 501229576 /nfs/dbraw/zinc/22/95/76/501229576.db2.gz OHMINEMONLTQNK-HNNXBMFYSA-N -1 3 355.312 3.443 20 0 FGADHM CC[C@H](C[C@@H](C)CO)NC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436906555 501230820 /nfs/dbraw/zinc/23/08/20/501230820.db2.gz QOBGRGMNYCLIPI-NVXWUHKLSA-N -1 3 357.450 3.498 20 0 FGADHM C[C@@H](C(=O)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1)N1CCCCCC1 ZINC000436916371 501232232 /nfs/dbraw/zinc/23/22/32/501232232.db2.gz SXIMUHZPALEGHT-NSHDSACASA-N -1 3 363.849 3.034 20 0 FGADHM COc1cccc(C(=O)NCc2ccc(C)cc2OC[C@H]2CCOC2)c1[O-] ZINC000436917534 501232682 /nfs/dbraw/zinc/23/26/82/501232682.db2.gz BKOSXAOGAYHJGH-HNNXBMFYSA-N -1 3 371.433 3.055 20 0 FGADHM CC(C)c1ccc(C(=O)N[C@@H](C)Cn2ncc3ccccc3c2=O)c([O-])c1 ZINC000436920778 501233118 /nfs/dbraw/zinc/23/31/18/501233118.db2.gz SUTZZHMOZJVRKB-AWEZNQCLSA-N -1 3 365.433 3.044 20 0 FGADHM Cc1cc(Br)cc(S(=O)(=O)[N-]C(C)(C)C(F)(F)F)c1 ZINC000451033649 501240696 /nfs/dbraw/zinc/24/06/96/501240696.db2.gz VDLRUFGKUKETAO-UHFFFAOYSA-N -1 3 360.195 3.377 20 0 FGADHM COc1cc(C(F)(F)F)cc(S(=O)(=O)[N-]C(C)(C)C(F)(F)F)c1 ZINC000451032611 501240731 /nfs/dbraw/zinc/24/07/31/501240731.db2.gz QFKYNZKAHODQHR-UHFFFAOYSA-N -1 3 365.295 3.333 20 0 FGADHM CCCc1c([N-]S(=O)(=O)CCCCF)cnn1-c1cc(C)ccn1 ZINC000451044676 501241474 /nfs/dbraw/zinc/24/14/74/501241474.db2.gz ZISCFTBWOWQOMM-UHFFFAOYSA-N -1 3 354.451 3.020 20 0 FGADHM CC(C)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccnn2CCN(C)C)c1 ZINC000451047512 501241764 /nfs/dbraw/zinc/24/17/64/501241764.db2.gz SUIVMUNZJCIYLF-UHFFFAOYSA-N -1 3 370.906 3.022 20 0 FGADHM Cc1cnc([C@@H]([N-]S(=O)(=O)CCOCc2ccccc2)C2CC2)s1 ZINC000451243423 501254413 /nfs/dbraw/zinc/25/44/13/501254413.db2.gz BRUUJRLIRGHMQK-INIZCTEOSA-N -1 3 366.508 3.039 20 0 FGADHM Cc1nccn1CCCC[N-]S(=O)(=O)c1ccc2ccccc2c1F ZINC000451246263 501254673 /nfs/dbraw/zinc/25/46/73/501254673.db2.gz VNNCFZFNOCJJFN-UHFFFAOYSA-N -1 3 361.442 3.243 20 0 FGADHM CO[C@H](C[N-]S(=O)(=O)C[C@@H]1CCCCC1(F)F)c1ccc(F)cc1 ZINC000451264184 501256292 /nfs/dbraw/zinc/25/62/92/501256292.db2.gz SFTCZTJSZWCKFD-DZGCQCFKSA-N -1 3 365.417 3.258 20 0 FGADHM O=C(Cc1ccc([O-])c(F)c1)N1CCC[C@H](OCc2ccccc2F)C1 ZINC000451325506 501265521 /nfs/dbraw/zinc/26/55/21/501265521.db2.gz OFFJVYZNIDRHJN-INIZCTEOSA-N -1 3 361.388 3.421 20 0 FGADHM O=C(Cc1ccc([O-])c(F)c1)NCCc1cccc(OCC(F)(F)F)c1 ZINC000451374506 501278379 /nfs/dbraw/zinc/27/83/79/501278379.db2.gz KDAYJZWUAIQZHT-UHFFFAOYSA-N -1 3 371.330 3.374 20 0 FGADHM CCOc1nc2cc(C(=O)N3CCC[C@@H]3[C@@H]3C[C@H](C)CC[C@@H]3O)ccc2[n-]1 ZINC000451430131 501291848 /nfs/dbraw/zinc/29/18/48/501291848.db2.gz MOSPRMJPSKOGCB-MWLKLMTCSA-N -1 3 371.481 3.363 20 0 FGADHM CCOc1nc2ccc(C(=O)N3CCC[C@@H]3[C@@H]3C[C@H](C)CC[C@@H]3O)cc2[n-]1 ZINC000451430131 501291851 /nfs/dbraw/zinc/29/18/51/501291851.db2.gz MOSPRMJPSKOGCB-MWLKLMTCSA-N -1 3 371.481 3.363 20 0 FGADHM C[C@@](O)(C[N-]S(=O)(=O)C[C@@H]1CCCCC1(F)F)C1CCCCC1 ZINC000451466823 501298874 /nfs/dbraw/zinc/29/88/74/501298874.db2.gz XUSCBEHHOAUXOS-LSDHHAIUSA-N -1 3 353.475 3.063 20 0 FGADHM COCC1(CNC(=O)NCc2ccc([O-])c(Br)c2)CCCC1 ZINC000455557836 501333801 /nfs/dbraw/zinc/33/38/01/501333801.db2.gz WWEMSLGHHILWAF-UHFFFAOYSA-N -1 3 371.275 3.161 20 0 FGADHM CC[C@@H](COCC(F)(F)F)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000451656585 501346070 /nfs/dbraw/zinc/34/60/70/501346070.db2.gz UJYLHGAQNWTMIL-VIFPVBQESA-N -1 3 363.760 3.115 20 0 FGADHM CC(C)c1nc(C[N-]S(=O)(=O)c2cc3cc(Cl)ccc3s2)n[nH]1 ZINC000451676407 501348686 /nfs/dbraw/zinc/34/86/86/501348686.db2.gz FHLUVIBWIKWVIZ-UHFFFAOYSA-N -1 3 370.887 3.275 20 0 FGADHM COc1ccc(S(=O)(=O)[N-][C@@H]2C[C@@H](C)Oc3ccccc32)c(F)c1 ZINC000451712358 501358243 /nfs/dbraw/zinc/35/82/43/501358243.db2.gz PWFKNVLJRZNLRD-IAQYHMDHSA-N -1 3 351.399 3.025 20 0 FGADHM CC(C)[C@@]1(C)C[C@H]1NC(=O)Cc1csc(NC(=O)c2cccc([O-])c2)n1 ZINC000458101833 501372710 /nfs/dbraw/zinc/37/27/10/501372710.db2.gz BZRCYWRQJRWGHV-DNVCBOLYSA-N -1 3 373.478 3.194 20 0 FGADHM CCOC[C@H]1CCCCN1C(=O)Cc1ccc(Br)cc1[O-] ZINC000458102370 501372820 /nfs/dbraw/zinc/37/28/20/501372820.db2.gz VXDDKAZWMLVWGH-CQSZACIVSA-N -1 3 356.260 3.115 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]CCCc2ncccc2C)c(Cl)cc1F ZINC000451811495 501377550 /nfs/dbraw/zinc/37/75/50/501377550.db2.gz RIZHMJAYZSSCGB-UHFFFAOYSA-N -1 3 356.850 3.402 20 0 FGADHM Cc1cc(NC(=O)c2s[n-]c(=O)c2Cl)ccc1OCCN(C)C ZINC000458217350 501395640 /nfs/dbraw/zinc/39/56/40/501395640.db2.gz QNYWPJOLFAIWOM-UHFFFAOYSA-N -1 3 355.847 3.003 20 0 FGADHM CC1(C)COC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000451962069 501409133 /nfs/dbraw/zinc/40/91/33/501409133.db2.gz FKHSOUDMROLMMS-NSHDSACASA-N -1 3 357.781 3.062 20 0 FGADHM COC[C@@]1(C)CCN(C(=O)c2ccc(C(=O)c3cccc([O-])c3)cc2)C1 ZINC000452370746 501486829 /nfs/dbraw/zinc/48/68/29/501486829.db2.gz GMAZTVPAPLYPRT-NRFANRHFSA-N -1 3 353.418 3.122 20 0 FGADHM COc1cc2c(cc1F)[n-]cc(C(=O)N1C[C@H](C(C)C)[C@H]1C(C)C)c2=O ZINC000456294540 501490728 /nfs/dbraw/zinc/49/07/28/501490728.db2.gz AZRGBNNQMXNOMM-RDTXWAMCSA-N -1 3 360.429 3.428 20 0 FGADHM COc1cccc(C(=O)N[C@@H](CCO)c2cccc(C(F)(F)F)c2)c1[O-] ZINC000452527839 501518278 /nfs/dbraw/zinc/51/82/78/501518278.db2.gz AEXDXTNUDQFMQC-AWEZNQCLSA-N -1 3 369.339 3.273 20 0 FGADHM O=C(c1ccc2n[n-]nc2c1)N1CCC(Cc2cccc(F)c2F)CC1 ZINC000456816975 501604378 /nfs/dbraw/zinc/60/43/78/501604378.db2.gz ZXKDHPVPVZKDAX-UHFFFAOYSA-N -1 3 356.376 3.331 20 0 FGADHM CC(C)C[C@@H]1C[C@H]1NC(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000459227147 501616254 /nfs/dbraw/zinc/61/62/54/501616254.db2.gz CCPKCBHWDZKJSA-NVXWUHKLSA-N -1 3 359.470 3.187 20 0 FGADHM COC(=O)[C@H]1CN(C(=O)Cc2ccc([O-])cc2Cl)C[C@@H]1c1ccccc1 ZINC000456923392 501619982 /nfs/dbraw/zinc/61/99/82/501619982.db2.gz AOZAKVFIYBXPTC-SJORKVTESA-N -1 3 373.836 3.003 20 0 FGADHM CCOc1cc(CN2CCCC[C@@H]2C(=O)OC)cc(Br)c1[O-] ZINC000459305089 501627813 /nfs/dbraw/zinc/62/78/13/501627813.db2.gz MQOFPWZNEDRBOQ-CYBMUJFWSA-N -1 3 372.259 3.081 20 0 FGADHM CCCC(=O)N[C@H]1CCCN(Cc2cccc([O-])c2Br)C1 ZINC000459324400 501630995 /nfs/dbraw/zinc/63/09/95/501630995.db2.gz KKYQJIPIYNCDIZ-ZDUSSCGKSA-N -1 3 355.276 3.035 20 0 FGADHM Cc1nc(C[C@H]2CCCN(Cc3cccc([O-])c3Br)C2)no1 ZINC000459327641 501631657 /nfs/dbraw/zinc/63/16/57/501631657.db2.gz OVZPERDCDOBNHQ-GFCCVEGCSA-N -1 3 366.259 3.301 20 0 FGADHM C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])[C@@H]1CCC[C@@H](C)C1 ZINC000457004360 501633748 /nfs/dbraw/zinc/63/37/48/501633748.db2.gz OFDJYPTUQUREIE-HPFXQQBRSA-N -1 3 358.482 3.328 20 0 FGADHM Cn1ccnc1CC1CCN(Cc2cc(=O)[n-]c(-c3ccccc3)n2)CC1 ZINC000459338265 501634460 /nfs/dbraw/zinc/63/44/60/501634460.db2.gz RPVMZZGEOFRIRK-UHFFFAOYSA-N -1 3 363.465 3.037 20 0 FGADHM Cc1n[nH]c(C)c1[C@H]1COCCN1Cc1cccc([O-])c1Br ZINC000459354631 501637757 /nfs/dbraw/zinc/63/77/57/501637757.db2.gz MQHRDHRDSCWKIB-CYBMUJFWSA-N -1 3 366.259 3.068 20 0 FGADHM COc1ccccc1COC1CCN(Cc2cc(=O)[n-]c(C3CC3)n2)CC1 ZINC000459368208 501640734 /nfs/dbraw/zinc/64/07/34/501640734.db2.gz GBCNQDKSBRURKT-UHFFFAOYSA-N -1 3 369.465 3.249 20 0 FGADHM CCOc1cc(CN2CCOC[C@H]2C2CC2)cc(Br)c1[O-] ZINC000459381461 501643205 /nfs/dbraw/zinc/64/32/05/501643205.db2.gz UYWHGUPBWLWZEN-AWEZNQCLSA-N -1 3 356.260 3.164 20 0 FGADHM COc1ccc(OC)c(CNCc2cccc([O-])c2Br)c1 ZINC000459384554 501643998 /nfs/dbraw/zinc/64/39/98/501643998.db2.gz HMGUQEXYUSBIJO-UHFFFAOYSA-N -1 3 352.228 3.462 20 0 FGADHM Cc1ccc(-c2noc([C@@H](C)NCc3cc(=O)[n-]c(C4CC4)n3)n2)cc1F ZINC000459407198 501648253 /nfs/dbraw/zinc/64/82/53/501648253.db2.gz VBSZFSCWXRCCAE-LLVKDONJSA-N -1 3 369.400 3.408 20 0 FGADHM Cc1ccc(-c2noc([C@H](C)NCc3cc(=O)[n-]c(C4CC4)n3)n2)cc1F ZINC000459407199 501648288 /nfs/dbraw/zinc/64/82/88/501648288.db2.gz VBSZFSCWXRCCAE-NSHDSACASA-N -1 3 369.400 3.408 20 0 FGADHM CC(C)(OC(C)(C)C(=O)Nc1ccccc1O)C(=O)Nc1ccccc1[O-] ZINC000454928542 501657080 /nfs/dbraw/zinc/65/70/80/501657080.db2.gz QJWIRYOMSCWIHE-UHFFFAOYSA-N -1 3 372.421 3.249 20 0 FGADHM Cc1cc(NC(=O)N=c2cc(-c3cc(C)c(C)cc3C)[n-][nH]2)c(=O)n(C)c1 ZINC000459474297 501659794 /nfs/dbraw/zinc/65/97/94/501659794.db2.gz XDHSGEJQLTZESR-UHFFFAOYSA-N -1 3 365.437 3.075 20 0 FGADHM O=c1cc(CN2CCCN(c3ccccc3Cl)CC2)nc(C2CC2)[n-]1 ZINC000459484049 501661759 /nfs/dbraw/zinc/66/17/59/501661759.db2.gz NJLYTUARQXZHAA-UHFFFAOYSA-N -1 3 358.873 3.425 20 0 FGADHM C[C@@H](NCc1cc(=O)[n-]c(C2CC2)n1)c1ccc(-n2cccn2)c(F)c1 ZINC000459487915 501662788 /nfs/dbraw/zinc/66/27/88/501662788.db2.gz NWKLOIKKSSZQLJ-GFCCVEGCSA-N -1 3 353.401 3.235 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C)CC(C)(C)C)c1 ZINC000457196418 501663793 /nfs/dbraw/zinc/66/37/93/501663793.db2.gz RPLVOPKVPFGEAE-NSHDSACASA-N -1 3 359.426 3.495 20 0 FGADHM CCOc1cc(CN2C[C@@H]3CCC[C@H]3[C@H]2C(=O)OC)cc(Cl)c1[O-] ZINC000459506962 501665788 /nfs/dbraw/zinc/66/57/88/501665788.db2.gz JXFVLHOWHOPWGO-ZENOOKHLSA-N -1 3 353.846 3.218 20 0 FGADHM O=c1cc(CN2CC3(CCC3)[C@H]2[C@@H]2CCCO2)nc(-c2ccccc2)[n-]1 ZINC000459511011 501666854 /nfs/dbraw/zinc/66/68/54/501666854.db2.gz ZQFWEZGVTZRGMP-PKOBYXMFSA-N -1 3 351.450 3.383 20 0 FGADHM Cn1cc([C@H]2CSCCN2Cc2cccc([O-])c2Br)cn1 ZINC000459516526 501667763 /nfs/dbraw/zinc/66/77/63/501667763.db2.gz HTUPKPAJRKYPHV-CYBMUJFWSA-N -1 3 368.300 3.178 20 0 FGADHM CCC1CN(C(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)C1 ZINC000457276850 501674963 /nfs/dbraw/zinc/67/49/63/501674963.db2.gz MRWBJOUMACXGAQ-UHFFFAOYSA-N -1 3 369.646 3.426 20 0 FGADHM CCC1CN(C(=O)c2cnc3c(Cl)cc(Br)cc3c2[O-])C1 ZINC000457276850 501674965 /nfs/dbraw/zinc/67/49/65/501674965.db2.gz MRWBJOUMACXGAQ-UHFFFAOYSA-N -1 3 369.646 3.426 20 0 FGADHM CCC1CN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)C1 ZINC000457292619 501677111 /nfs/dbraw/zinc/67/71/11/501677111.db2.gz GCMYQBHUAMTQTD-UHFFFAOYSA-N -1 3 362.426 3.109 20 0 FGADHM Cn1ccnc1[C@H]1N(Cc2cccc([O-])c2Br)CC1(C)C ZINC000459563949 501677385 /nfs/dbraw/zinc/67/73/85/501677385.db2.gz HRTGBJLMRKOOOZ-CQSZACIVSA-N -1 3 350.260 3.471 20 0 FGADHM CCOc1cc(CN2CC[C@H](OC)[C@@H](C)C2)cc(Br)c1[O-] ZINC000459577863 501679959 /nfs/dbraw/zinc/67/99/59/501679959.db2.gz MFINRTAMDDGIMH-FZMZJTMJSA-N -1 3 358.276 3.410 20 0 FGADHM CN(C)c1nc(C(=O)Nc2ccc(CNc3ccccc3)cc2)cc(=O)[n-]1 ZINC000463451089 501727088 /nfs/dbraw/zinc/72/70/88/501727088.db2.gz FJKVIUZAVYQQHQ-UHFFFAOYSA-N -1 3 363.421 3.113 20 0 FGADHM C[C@H](CC(=O)N=c1cc(-c2ccccc2)[n-][nH]1)C(=O)c1cccc(F)c1 ZINC000470559545 501727304 /nfs/dbraw/zinc/72/73/04/501727304.db2.gz DUWQQIDCRPUSEF-CYBMUJFWSA-N -1 3 351.381 3.485 20 0 FGADHM O=C(Cc1csc2nccn12)Nc1nnc(-c2cc3ccccc3o2)[n-]1 ZINC000485146677 501738417 /nfs/dbraw/zinc/73/84/17/501738417.db2.gz YIBJZRHLKZXLFL-UHFFFAOYSA-N -1 3 364.390 3.108 20 0 FGADHM O=C(Cc1csc2nccn12)Nc1nc(-c2cc3ccccc3o2)n[n-]1 ZINC000485146677 501738420 /nfs/dbraw/zinc/73/84/20/501738420.db2.gz YIBJZRHLKZXLFL-UHFFFAOYSA-N -1 3 364.390 3.108 20 0 FGADHM O=C(Cc1csc2nccn12)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000485146677 501738423 /nfs/dbraw/zinc/73/84/23/501738423.db2.gz YIBJZRHLKZXLFL-UHFFFAOYSA-N -1 3 364.390 3.108 20 0 FGADHM Cc1ccccc1-c1cc(=NC(=O)[C@H](O)Cc2c(F)cccc2Cl)[nH][n-]1 ZINC000477621065 501740135 /nfs/dbraw/zinc/74/01/35/501740135.db2.gz XZNHTTXXSRTNAU-QGZVFWFLSA-N -1 3 373.815 3.142 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1cncc(Br)c1)[C@H](C)c1ccccc1 ZINC000474213586 501746985 /nfs/dbraw/zinc/74/69/85/501746985.db2.gz ZLGGPAAWNSPDKK-NWDGAFQWSA-N -1 3 369.284 3.315 20 0 FGADHM Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000463615560 501775926 /nfs/dbraw/zinc/77/59/26/501775926.db2.gz XCWYGMSNKCXLBU-ROUUACIJSA-N -1 3 363.421 3.282 20 0 FGADHM Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000463615560 501775933 /nfs/dbraw/zinc/77/59/33/501775933.db2.gz XCWYGMSNKCXLBU-ROUUACIJSA-N -1 3 363.421 3.282 20 0 FGADHM CCC1(CC)CCCN(C(=O)[C@@H](C)[N-]S(=O)(=O)c2cccs2)CC1 ZINC000470708040 501778081 /nfs/dbraw/zinc/77/80/81/501778081.db2.gz RNWXHWHPUOSTQK-CQSZACIVSA-N -1 3 372.556 3.234 20 0 FGADHM Cc1nc(C)c(S(=O)(=O)[N-]Cc2ccccc2OC(F)(F)F)s1 ZINC000481449142 501779280 /nfs/dbraw/zinc/77/92/80/501779280.db2.gz OMKSUROWIHLZTA-UHFFFAOYSA-N -1 3 366.386 3.137 20 0 FGADHM O=S(=O)([N-][C@@H](CO)c1c(Cl)cccc1Cl)C1CCCCC1 ZINC000481464656 501783884 /nfs/dbraw/zinc/78/38/84/501783884.db2.gz METPPVUSKUBLBF-ZDUSSCGKSA-N -1 3 352.283 3.279 20 0 FGADHM CN(C(=O)N=c1cc(OC(F)F)n(C)[n-]1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463652636 501784367 /nfs/dbraw/zinc/78/43/67/501784367.db2.gz JSOVKWREJXJWNZ-BDAKNGLRSA-N -1 3 370.322 3.028 20 0 FGADHM Cc1nc(C)c(S(=O)(=O)[N-][C@@H](C)c2ccc(OC(F)F)cc2)s1 ZINC000481469126 501784774 /nfs/dbraw/zinc/78/47/74/501784774.db2.gz YLVOGZMUGJMFHS-QMMMGPOBSA-N -1 3 362.423 3.401 20 0 FGADHM O=S(=O)([N-][C@@H](CO)c1c(Cl)cccc1Cl)c1cccs1 ZINC000481505475 501794179 /nfs/dbraw/zinc/79/41/79/501794179.db2.gz FDUVCCHIPQQXDC-JTQLQIEISA-N -1 3 352.264 3.067 20 0 FGADHM Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCOc3c(C)cccc32)cc1F ZINC000474388160 501817332 /nfs/dbraw/zinc/81/73/32/501817332.db2.gz INQQWBICEQWGQI-OAHLLOKOSA-N -1 3 353.390 3.384 20 0 FGADHM O=S(=O)([N-]c1cc(Cl)ccc1OCC(F)(F)F)N1CCCCC1 ZINC000460438243 501824826 /nfs/dbraw/zinc/82/48/26/501824826.db2.gz RZTGIPICKZNSJT-UHFFFAOYSA-N -1 3 372.796 3.424 20 0 FGADHM COc1ccc(N(CCC(C)C)C(=O)c2cnc3c(cnn3C)c2[O-])cc1 ZINC000477923241 501829724 /nfs/dbraw/zinc/82/97/24/501829724.db2.gz OBOXPFGYULGPHP-UHFFFAOYSA-N -1 3 368.437 3.375 20 0 FGADHM CCN=c1[n-]c(C(=O)N(C)Cc2ccc(F)cc2Br)cs1 ZINC000485490619 501835945 /nfs/dbraw/zinc/83/59/45/501835945.db2.gz NYBXFKKCRICVDO-UHFFFAOYSA-N -1 3 372.263 3.171 20 0 FGADHM CCOC(=O)c1c(C(C)C)csc1[N-]C(=O)C(=O)N1C[C@@H](C)C[C@H]1C ZINC000467679766 501844234 /nfs/dbraw/zinc/84/42/34/501844234.db2.gz CACXNMLSASWRCT-NWDGAFQWSA-N -1 3 366.483 3.244 20 0 FGADHM Cc1ccc([C@H]2C[C@H](C)N(C(=O)Nc3ccc4c(c3)C(=O)[N-]C4=O)C2)cc1 ZINC000485525123 501846586 /nfs/dbraw/zinc/84/65/86/501846586.db2.gz UEMSVNBCEZYLLV-ZFWWWQNUSA-N -1 3 363.417 3.289 20 0 FGADHM CSc1nnc(NC(=O)c2ccc(NC(=O)Nc3ccccc3)s2)[n-]1 ZINC000474553511 501874249 /nfs/dbraw/zinc/87/42/49/501874249.db2.gz IQKMLCAUEYKTSL-UHFFFAOYSA-N -1 3 374.451 3.484 20 0 FGADHM CSc1n[n-]c(NC(=O)c2ccc(NC(=O)Nc3ccccc3)s2)n1 ZINC000474553511 501874253 /nfs/dbraw/zinc/87/42/53/501874253.db2.gz IQKMLCAUEYKTSL-UHFFFAOYSA-N -1 3 374.451 3.484 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)s1)[C@@H](c1ccccc1)N(C)C ZINC000474571887 501879761 /nfs/dbraw/zinc/87/97/61/501879761.db2.gz BUJFDJYLPLKLFJ-NHYWBVRUSA-N -1 3 358.916 3.371 20 0 FGADHM Cc1oc2ncn(C)c(=O)c2c1C(=O)[N-]c1nc2cc(F)c(C)cc2s1 ZINC000478099251 501880640 /nfs/dbraw/zinc/88/06/40/501880640.db2.gz CIQQBRMNFXIOAC-UHFFFAOYSA-N -1 3 372.381 3.144 20 0 FGADHM COC(=O)c1cc(F)cc([N-]C(=O)c2cc3nccnc3cc2F)c1F ZINC000478103026 501881166 /nfs/dbraw/zinc/88/11/66/501881166.db2.gz QSBJRPBCEDIQRB-UHFFFAOYSA-N -1 3 361.279 3.086 20 0 FGADHM C[C@H]1CC[C@H](CNC(=O)Cc2csc(NC(=O)c3cccc([O-])c3)n2)C1 ZINC000478131895 501889527 /nfs/dbraw/zinc/88/95/27/501889527.db2.gz IGOPEQNHLOHEHT-STQMWFEESA-N -1 3 373.478 3.196 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]CCCCOc2ccc(F)cc2)c(F)c1 ZINC000478137117 501891401 /nfs/dbraw/zinc/89/14/01/501891401.db2.gz PUFICAUONYJFDF-UHFFFAOYSA-N -1 3 371.405 3.111 20 0 FGADHM CCCCc1nc(C(=O)OCC)c(NC(=O)Cc2ccc(F)c(F)c2)[n-]1 ZINC000485665826 501893856 /nfs/dbraw/zinc/89/38/56/501893856.db2.gz MFAZRIRQYDEJBJ-UHFFFAOYSA-N -1 3 365.380 3.388 20 0 FGADHM CCCCc1nc(NC(=O)Cc2ccc(F)c(F)c2)c(C(=O)OCC)[n-]1 ZINC000485665826 501893859 /nfs/dbraw/zinc/89/38/59/501893859.db2.gz MFAZRIRQYDEJBJ-UHFFFAOYSA-N -1 3 365.380 3.388 20 0 FGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1ncoc1-c1ccccc1Cl ZINC000460685631 501896464 /nfs/dbraw/zinc/89/64/64/501896464.db2.gz CMAYMXOABQWCSK-UHFFFAOYSA-N -1 3 366.768 3.427 20 0 FGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1ncoc1-c1ccccc1Cl ZINC000460685631 501896466 /nfs/dbraw/zinc/89/64/66/501896466.db2.gz CMAYMXOABQWCSK-UHFFFAOYSA-N -1 3 366.768 3.427 20 0 FGADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)[C@H](OC1CCCC1)c1ccccc1 ZINC000481917684 501918195 /nfs/dbraw/zinc/91/81/95/501918195.db2.gz GRDBFPWMMXLYOP-CQSZACIVSA-N -1 3 368.359 3.140 20 0 FGADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)[C@H](OC1CCCC1)c1ccccc1 ZINC000481917684 501918196 /nfs/dbraw/zinc/91/81/96/501918196.db2.gz GRDBFPWMMXLYOP-CQSZACIVSA-N -1 3 368.359 3.140 20 0 FGADHM 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FGADHM O=C(N=c1cc(-c2ccccc2)o[n-]1)c1ccc(-c2ccccn2)[nH]c1=O ZINC000479841717 502394154 /nfs/dbraw/zinc/39/41/54/502394154.db2.gz YKQMEUJZMONPIQ-UHFFFAOYSA-N -1 3 358.357 3.178 20 0 FGADHM COc1ccc([C@H](C)CC[N-]S(=O)(=O)c2cc(F)cc(F)c2)cc1 ZINC000462326527 502394450 /nfs/dbraw/zinc/39/44/50/502394450.db2.gz SRXMLVZRIIKRLY-GFCCVEGCSA-N -1 3 355.406 3.446 20 0 FGADHM Cc1cc(Br)c2c(c1)CN(C(=O)c1csc(=O)[n-]1)CC2 ZINC000472599485 502397110 /nfs/dbraw/zinc/39/71/10/502397110.db2.gz SLRXZGKYNISEEY-UHFFFAOYSA-N -1 3 353.241 3.118 20 0 FGADHM CC[C@@](C)([N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)c1nccs1 ZINC000462347238 502402838 /nfs/dbraw/zinc/40/28/38/502402838.db2.gz HOSGAHKVPGLUKU-CYBMUJFWSA-N -1 3 350.387 3.164 20 0 FGADHM O=S(=O)([N-]Cc1nc(-c2cc3ccccc3o2)cs1)c1ccccn1 ZINC000476194004 502410082 /nfs/dbraw/zinc/41/00/82/502410082.db2.gz JXUDUSHODVSWSP-UHFFFAOYSA-N -1 3 371.443 3.430 20 0 FGADHM O=S(=O)(Cc1c(Cl)cccc1Cl)[N-][C@@H](CO)c1ccsc1 ZINC000472687916 502418861 /nfs/dbraw/zinc/41/88/61/502418861.db2.gz CJGDCDLAAGZPFM-ZDUSSCGKSA-N -1 3 366.291 3.208 20 0 FGADHM Cc1ccc(F)c(S(=O)(=O)[N-][C@@H]2CCCOc3c(F)cccc32)c1 ZINC000479918036 502418890 /nfs/dbraw/zinc/41/88/90/502418890.db2.gz NAUAKRJLGNQBCZ-OAHLLOKOSA-N -1 3 353.390 3.465 20 0 FGADHM O=C(NCCCNC(=O)c1ccc(F)c2ccccc12)c1cccc([O-])c1 ZINC000479929877 502422046 /nfs/dbraw/zinc/42/20/46/502422046.db2.gz WUFXQYNLDSKWOK-UHFFFAOYSA-N -1 3 366.392 3.234 20 0 FGADHM Cc1ccccc1C[C@@H]1CCCN1C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000483538605 502425682 /nfs/dbraw/zinc/42/56/82/502425682.db2.gz CAVYDFGXQMFLAX-ZDUSSCGKSA-N -1 3 367.375 3.049 20 0 FGADHM Cc1ccccc1C[C@@H]1CCCN1C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000483538605 502425686 /nfs/dbraw/zinc/42/56/86/502425686.db2.gz CAVYDFGXQMFLAX-ZDUSSCGKSA-N -1 3 367.375 3.049 20 0 FGADHM Cc1ccccc1C[C@@H]1CCCN1C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000483538605 502425691 /nfs/dbraw/zinc/42/56/91/502425691.db2.gz CAVYDFGXQMFLAX-ZDUSSCGKSA-N -1 3 367.375 3.049 20 0 FGADHM CCN(C(=O)NCc1nnc(C(F)(F)F)[n-]1)[C@@H](C)c1ccc(F)cc1 ZINC000483543101 502426168 /nfs/dbraw/zinc/42/61/68/502426168.db2.gz KXLXAKGBWYFAKN-VIFPVBQESA-N -1 3 359.327 3.255 20 0 FGADHM CCN(C(=O)NCc1n[n-]c(C(F)(F)F)n1)[C@@H](C)c1ccc(F)cc1 ZINC000483543101 502426176 /nfs/dbraw/zinc/42/61/76/502426176.db2.gz KXLXAKGBWYFAKN-VIFPVBQESA-N -1 3 359.327 3.255 20 0 FGADHM CCN(C(=O)NCc1nc(C(F)(F)F)n[n-]1)[C@@H](C)c1ccc(F)cc1 ZINC000483543101 502426179 /nfs/dbraw/zinc/42/61/79/502426179.db2.gz KXLXAKGBWYFAKN-VIFPVBQESA-N -1 3 359.327 3.255 20 0 FGADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)N1CCC[C@H]1/C=C/c1ccccc1 ZINC000483547895 502428006 /nfs/dbraw/zinc/42/80/06/502428006.db2.gz WHYSLJSPBJPYLO-XEHSLEBBSA-N -1 3 365.359 3.211 20 0 FGADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)N1CCC[C@H]1/C=C/c1ccccc1 ZINC000483547895 502428008 /nfs/dbraw/zinc/42/80/08/502428008.db2.gz WHYSLJSPBJPYLO-XEHSLEBBSA-N -1 3 365.359 3.211 20 0 FGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N1CCC[C@H]1/C=C/c1ccccc1 ZINC000483547895 502428012 /nfs/dbraw/zinc/42/80/12/502428012.db2.gz WHYSLJSPBJPYLO-XEHSLEBBSA-N -1 3 365.359 3.211 20 0 FGADHM CCCCn1c(=O)[n-]nc1S(=O)(=O)Cc1c(C)ccc2ccccc21 ZINC000479994904 502440354 /nfs/dbraw/zinc/44/03/54/502440354.db2.gz XXZWEDBIBGHFQD-UHFFFAOYSA-N -1 3 359.451 3.219 20 0 FGADHM CC[C@H](C)CC(=O)Nc1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1F ZINC000479995565 502440745 /nfs/dbraw/zinc/44/07/45/502440745.db2.gz PDYGVAHZKLQUEZ-VIFPVBQESA-N -1 3 362.854 3.295 20 0 FGADHM O=S(=O)([N-]Cc1ccccc1OC(F)F)c1cc(F)c(F)c(F)c1 ZINC000462453771 502445376 /nfs/dbraw/zinc/44/53/76/502445376.db2.gz FFCZMLRIBIHFPV-UHFFFAOYSA-N -1 3 367.295 3.184 20 0 FGADHM CCOc1nc2cc(C(=O)N(C)Cc3ccc(C(=O)OC)cc3)ccc2[n-]1 ZINC000469515979 502448498 /nfs/dbraw/zinc/44/84/98/502448498.db2.gz WDATXYJAVOMQGP-UHFFFAOYSA-N -1 3 367.405 3.020 20 0 FGADHM CCOc1nc2ccc(C(=O)N(C)Cc3ccc(C(=O)OC)cc3)cc2[n-]1 ZINC000469515979 502448501 /nfs/dbraw/zinc/44/85/01/502448501.db2.gz WDATXYJAVOMQGP-UHFFFAOYSA-N -1 3 367.405 3.020 20 0 FGADHM CCOc1nc2ccc(C(=O)Nc3ccc(Cl)c(C(=O)NC)c3)cc2[n-]1 ZINC000469572221 502467285 /nfs/dbraw/zinc/46/72/85/502467285.db2.gz GJAVGSPZTQTJFW-UHFFFAOYSA-N -1 3 372.812 3.227 20 0 FGADHM CCOc1nc2cc(C(=O)Nc3ccc(Cl)c(C(=O)NC)c3)ccc2[n-]1 ZINC000469572221 502467291 /nfs/dbraw/zinc/46/72/91/502467291.db2.gz GJAVGSPZTQTJFW-UHFFFAOYSA-N -1 3 372.812 3.227 20 0 FGADHM C[C@@H](NC(=O)N=c1ncn(C2CCCCC2)[n-]1)[C@H](c1ccccc1)N(C)C ZINC000480135800 502481037 /nfs/dbraw/zinc/48/10/37/502481037.db2.gz SKPAIULSYAZPQS-CRAIPNDOSA-N -1 3 370.501 3.018 20 0 FGADHM CCN(C)S(=O)(=O)[N-]c1cnn(-c2ccc(Cl)cc2)c1C(C)C ZINC000480219174 502505182 /nfs/dbraw/zinc/50/51/82/502505182.db2.gz CMKLPQPAVTZMEM-UHFFFAOYSA-N -1 3 356.879 3.258 20 0 FGADHM COc1ccc(O[C@@H](C)C[N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000462608577 502506386 /nfs/dbraw/zinc/50/63/86/502506386.db2.gz YPAWGPQZQQEHOP-JTQLQIEISA-N -1 3 361.872 3.156 20 0 FGADHM CO[C@@H](c1ccc(F)cc1)[C@H](C)[N-]S(=O)(=O)c1c(C)cccc1F ZINC000476517849 502510919 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FGADHM CCCCc1nc(C(=O)OCC)c(NC(=O)C[C@H]2CCC[C@H](OC)C2)[n-]1 ZINC000484075742 502562944 /nfs/dbraw/zinc/56/29/44/502562944.db2.gz SACDWMXIWAEHQE-KBPBESRZSA-N -1 3 365.474 3.463 20 0 FGADHM CCCCc1nc(NC(=O)C[C@H]2CCC[C@H](OC)C2)c(C(=O)OCC)[n-]1 ZINC000484075742 502562947 /nfs/dbraw/zinc/56/29/47/502562947.db2.gz SACDWMXIWAEHQE-KBPBESRZSA-N -1 3 365.474 3.463 20 0 FGADHM COc1cc(C(=O)Nc2ccc(-n3cnc(C)c3C)cc2)cc(OC)c1[O-] ZINC000462780864 502568688 /nfs/dbraw/zinc/56/86/88/502568688.db2.gz ZVRXJKPBWNSFNB-UHFFFAOYSA-N -1 3 367.405 3.464 20 0 FGADHM CS[C@H]1CCCCN(C(=O)Cc2ccc(Br)cc2[O-])C1 ZINC000484137630 502579844 /nfs/dbraw/zinc/57/98/44/502579844.db2.gz VPXNXDMGNLPJNV-ZDUSSCGKSA-N -1 3 358.301 3.441 20 0 FGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)Cc1coc2cc(F)ccc12 ZINC000480554952 502602582 /nfs/dbraw/zinc/60/25/82/502602582.db2.gz MSHQKATZVALNEV-UHFFFAOYSA-N -1 3 362.382 3.125 20 0 FGADHM CN(C)C1(CN=c2[n-]nc(-c3ccccc3)s2)Cc2ccccc2C1 ZINC000462886867 502614270 /nfs/dbraw/zinc/61/42/70/502614270.db2.gz VVNKRUNOHBYTEJ-UHFFFAOYSA-N -1 3 350.491 3.138 20 0 FGADHM Cc1ccc2c(c1C)OC[C@@H]2[N-]S(=O)(=O)c1ccccc1OC(F)F ZINC000476960832 502633566 /nfs/dbraw/zinc/63/35/66/502633566.db2.gz XUDDDVJZNWVSDC-ZDUSSCGKSA-N -1 3 369.389 3.317 20 0 FGADHM Cc1ccc2c(c1C)OC[C@H]2[N-]S(=O)(=O)c1ccccc1OC(F)F ZINC000476960831 502633902 /nfs/dbraw/zinc/63/39/02/502633902.db2.gz XUDDDVJZNWVSDC-CYBMUJFWSA-N -1 3 369.389 3.317 20 0 FGADHM CC(C)(C)c1ccc(C(C)(C)C(=O)N2CCc3nc[n-]c(=O)c3C2)cc1 ZINC000476963252 502634816 /nfs/dbraw/zinc/63/48/16/502634816.db2.gz NGZDIKLIMSKAAH-UHFFFAOYSA-N -1 3 353.466 3.342 20 0 FGADHM CC[C@@H](C)n1ncc(C(=O)Nc2nnc(-c3c(F)cccc3F)[n-]2)c1C ZINC000484435166 502642638 /nfs/dbraw/zinc/64/26/38/502642638.db2.gz REXKNRNPGPGWEC-SECBINFHSA-N -1 3 360.368 3.478 20 0 FGADHM CC[C@@H](C)n1ncc(C(=O)Nc2nc(-c3c(F)cccc3F)n[n-]2)c1C ZINC000484435166 502642646 /nfs/dbraw/zinc/64/26/46/502642646.db2.gz REXKNRNPGPGWEC-SECBINFHSA-N -1 3 360.368 3.478 20 0 FGADHM CC[C@@H](C)n1ncc(C(=O)Nc2n[n-]c(-c3c(F)cccc3F)n2)c1C ZINC000484435166 502642652 /nfs/dbraw/zinc/64/26/52/502642652.db2.gz REXKNRNPGPGWEC-SECBINFHSA-N -1 3 360.368 3.478 20 0 FGADHM COC(=O)[C@H](Cc1ccc(C)cc1)SCC(=O)Nc1ccccc1[O-] ZINC000477039701 502656440 /nfs/dbraw/zinc/65/64/40/502656440.db2.gz KWOXAFNOISJBFF-KRWDZBQOSA-N -1 3 359.447 3.157 20 0 FGADHM COc1ccc(S(=O)(=O)[N-][C@@H](C)[C@@H](OC)c2ccc(F)cc2)c(F)c1 ZINC000480741326 502658462 /nfs/dbraw/zinc/65/84/62/502658462.db2.gz YHNWIDLTPLEFMG-APPDUMDISA-N -1 3 371.405 3.028 20 0 FGADHM O=C(CCc1cc(Cl)ccc1Br)NCc1ncccc1[O-] ZINC000473628993 502659988 /nfs/dbraw/zinc/65/99/88/502659988.db2.gz LSSGNYKOMQJETP-UHFFFAOYSA-N -1 3 369.646 3.452 20 0 FGADHM O=C(COc1ccc2oc3c(c2c1)CCCC3)NCc1ncccc1[O-] ZINC000473636196 502662739 /nfs/dbraw/zinc/66/27/39/502662739.db2.gz OAZORYXZSVJRRY-UHFFFAOYSA-N -1 3 352.390 3.107 20 0 FGADHM COC(=O)c1ccccc1-c1ccccc1C(=O)NCc1ncccc1[O-] ZINC000473637315 502662981 /nfs/dbraw/zinc/66/29/81/502662981.db2.gz BDMHEYHXHAPILY-UHFFFAOYSA-N -1 3 362.385 3.171 20 0 FGADHM Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)NCc1ncccc1[O-] ZINC000473638394 502663260 /nfs/dbraw/zinc/66/32/60/502663260.db2.gz FXHJAYUYYLIOSY-UHFFFAOYSA-N -1 3 370.840 3.232 20 0 FGADHM CCc1c(C(=O)Nc2cccc(-c3nnn[n-]3)c2)cnn1-c1ccccc1C ZINC000473646380 502667049 /nfs/dbraw/zinc/66/70/49/502667049.db2.gz DGYJOQKPCVFQSN-UHFFFAOYSA-N -1 3 373.420 3.176 20 0 FGADHM CCc1c(C(=O)Nc2cccc(-c3nn[n-]n3)c2)cnn1-c1ccccc1C ZINC000473646380 502667051 /nfs/dbraw/zinc/66/70/51/502667051.db2.gz DGYJOQKPCVFQSN-UHFFFAOYSA-N -1 3 373.420 3.176 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(NCCc3cccc(F)c3F)nc2)n1 ZINC000488263314 502673220 /nfs/dbraw/zinc/67/32/20/502673220.db2.gz ZPEPEUFBYMLZIG-UHFFFAOYSA-N -1 3 356.376 3.161 20 0 FGADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)Nc1cccc(COCC2CC2)c1 ZINC000480812172 502677704 /nfs/dbraw/zinc/67/77/04/502677704.db2.gz PIMDHTJHNBDKJX-UHFFFAOYSA-N -1 3 369.347 3.072 20 0 FGADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)Nc1cccc(COCC2CC2)c1 ZINC000480812172 502677709 /nfs/dbraw/zinc/67/77/09/502677709.db2.gz PIMDHTJHNBDKJX-UHFFFAOYSA-N -1 3 369.347 3.072 20 0 FGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)Nc1cccc(COCC2CC2)c1 ZINC000480812172 502677712 /nfs/dbraw/zinc/67/77/12/502677712.db2.gz PIMDHTJHNBDKJX-UHFFFAOYSA-N -1 3 369.347 3.072 20 0 FGADHM COc1cc(OC2CC2)ccc1C(=O)Nc1nnc(-c2ccc(C)o2)[n-]1 ZINC000484593716 502678818 /nfs/dbraw/zinc/67/88/18/502678818.db2.gz YDJTVMQBFATGHR-UHFFFAOYSA-N -1 3 354.366 3.175 20 0 FGADHM COc1cc(OC2CC2)ccc1C(=O)Nc1nc(-c2ccc(C)o2)n[n-]1 ZINC000484593716 502678825 /nfs/dbraw/zinc/67/88/25/502678825.db2.gz YDJTVMQBFATGHR-UHFFFAOYSA-N -1 3 354.366 3.175 20 0 FGADHM COc1cc(OC2CC2)ccc1C(=O)Nc1n[n-]c(-c2ccc(C)o2)n1 ZINC000484593716 502678831 /nfs/dbraw/zinc/67/88/31/502678831.db2.gz YDJTVMQBFATGHR-UHFFFAOYSA-N -1 3 354.366 3.175 20 0 FGADHM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)[C@@H]1CCCN1Cc1ccccc1 ZINC000477129394 502685800 /nfs/dbraw/zinc/68/58/00/502685800.db2.gz YYBPOLVCKRESRH-IBGZPJMESA-N -1 3 362.433 3.385 20 0 FGADHM CCCc1ccc(S(=O)(=O)[N-]c2ccc(F)c(-c3nnc[nH]3)c2)cc1 ZINC000470244191 502714166 /nfs/dbraw/zinc/71/41/66/502714166.db2.gz VLGCOHVZHGVUOF-UHFFFAOYSA-N -1 3 360.414 3.364 20 0 FGADHM CCCc1ccc(S(=O)(=O)[N-]c2ccc(F)c(-c3nc[nH]n3)c2)cc1 ZINC000470244191 502714168 /nfs/dbraw/zinc/71/41/68/502714168.db2.gz VLGCOHVZHGVUOF-UHFFFAOYSA-N -1 3 360.414 3.364 20 0 FGADHM COc1cc(C(=O)N2CCc3cc(Br)ccc3C2)ccc1[O-] ZINC000480977254 502717084 /nfs/dbraw/zinc/71/70/84/502717084.db2.gz GWQPDZYLTDLMBB-UHFFFAOYSA-N -1 3 362.223 3.362 20 0 FGADHM CCCc1nc(=NC(=O)C2(C)CCN(Cc3ccccc3)CC2)s[n-]1 ZINC000466908111 502722791 /nfs/dbraw/zinc/72/27/91/502722791.db2.gz NDTYIKPJACEJBX-UHFFFAOYSA-N -1 3 358.511 3.153 20 0 FGADHM Cc1ccsc1[C@H](CO)[N-]S(=O)(=O)c1cc(C)c(Cl)s1 ZINC000473852184 502725259 /nfs/dbraw/zinc/72/52/59/502725259.db2.gz IEVRVVRBVKCOLA-VIFPVBQESA-N -1 3 351.902 3.092 20 0 FGADHM Cc1nc(C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)c(-c2ccccc2)s1 ZINC000473853962 502725934 /nfs/dbraw/zinc/72/59/34/502725934.db2.gz FONSHFWKCGZZOF-AWEZNQCLSA-N -1 3 354.435 3.367 20 0 FGADHM O=C(C[C@H](c1ccccc1)C(F)(F)F)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000473855739 502727038 /nfs/dbraw/zinc/72/70/38/502727038.db2.gz JPBKRGVOSVSQTC-OCCSQVGLSA-N -1 3 353.344 3.358 20 0 FGADHM O=S(=O)([N-][C@H]1CCCSC1)c1cc(Br)ccc1Cl ZINC000484755772 502732489 /nfs/dbraw/zinc/73/24/89/502732489.db2.gz PWCAQFFGUOBDFH-VIFPVBQESA-N -1 3 370.721 3.276 20 0 FGADHM CC(=O)Nc1ccc(NC(=O)Cc2ccc(Br)cc2[O-])cc1 ZINC000477312352 502738703 /nfs/dbraw/zinc/73/87/03/502738703.db2.gz UAKOVAPBHWCGDL-UHFFFAOYSA-N -1 3 363.211 3.294 20 0 FGADHM CCc1cccc(NC(=O)C[N-]S(=O)(=O)c2cc(C)c(Cl)s2)c1 ZINC000473917893 502748332 /nfs/dbraw/zinc/74/83/32/502748332.db2.gz ICTMOHHUVDEXLZ-UHFFFAOYSA-N -1 3 372.899 3.189 20 0 FGADHM CCc1cc(=O)[n-]c(CSCC(=O)Nc2ccc(OC(F)F)cc2)n1 ZINC000477348884 502749783 /nfs/dbraw/zinc/74/97/83/502749783.db2.gz HWUCOQZQGXLQLS-UHFFFAOYSA-N -1 3 369.393 3.218 20 0 FGADHM CCOc1ccc(C(=O)CCC(=O)Nc2nnc(-c3ccco3)[n-]2)cc1F ZINC000473932399 502753958 /nfs/dbraw/zinc/75/39/58/502753958.db2.gz NMODROMJCMTRFI-UHFFFAOYSA-N -1 3 372.356 3.204 20 0 FGADHM CCOc1ccc(C(=O)CCC(=O)Nc2nc(-c3ccco3)n[n-]2)cc1F ZINC000473932399 502753963 /nfs/dbraw/zinc/75/39/63/502753963.db2.gz NMODROMJCMTRFI-UHFFFAOYSA-N -1 3 372.356 3.204 20 0 FGADHM CCOc1ccc(C(=O)CCC(=O)Nc2n[n-]c(-c3ccco3)n2)cc1F ZINC000473932399 502753965 /nfs/dbraw/zinc/75/39/65/502753965.db2.gz NMODROMJCMTRFI-UHFFFAOYSA-N -1 3 372.356 3.204 20 0 FGADHM CN(C)c1nc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc(=O)[n-]1 ZINC000463326728 502757334 /nfs/dbraw/zinc/75/73/34/502757334.db2.gz NKTLKQMTFFQZJN-UHFFFAOYSA-N -1 3 360.723 3.173 20 0 FGADHM Cc1ccccc1[C@@H]([C@@H](C)[N-]S(=O)(=O)c1ccc(F)cc1F)N(C)C ZINC000473944474 502758021 /nfs/dbraw/zinc/75/80/21/502758021.db2.gz LNBHAJJFBLMDQW-FZKQIMNGSA-N -1 3 368.449 3.243 20 0 FGADHM Cc1cc(S(=O)(=O)[N-][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)sc1Cl ZINC000473945887 502758727 /nfs/dbraw/zinc/75/87/27/502758727.db2.gz RDEYVYXEMSNKPL-UHTWSYAYSA-N -1 3 361.916 3.336 20 0 FGADHM CC(C)c1ccc(CN(C(=O)c2cc(=O)[n-]c(N(C)C)n2)C2CC2)cc1 ZINC000463329936 502759464 /nfs/dbraw/zinc/75/94/64/502759464.db2.gz YVUSGBIXCLAZDU-UHFFFAOYSA-N -1 3 354.454 3.176 20 0 FGADHM Cc1cc(S(=O)(=O)[N-][C@H]2CCN(C)[C@H]2c2ccccc2)sc1Cl ZINC000473951796 502759986 /nfs/dbraw/zinc/75/99/86/502759986.db2.gz OOBRVNTUYQETAD-ZFWWWQNUSA-N -1 3 370.927 3.434 20 0 FGADHM Cc1nc(C)c(CCNC(=O)Cc2ccc(Br)cc2[O-])s1 ZINC000477386581 502760971 /nfs/dbraw/zinc/76/09/71/502760971.db2.gz YERXHRWDEMFRRA-UHFFFAOYSA-N -1 3 369.284 3.129 20 0 FGADHM COCC[C@@H](Cc1ccco1)[N-]S(=O)(=O)c1cc(C)c(Cl)s1 ZINC000473952993 502761237 /nfs/dbraw/zinc/76/12/37/502761237.db2.gz XZKCWLXWFHGLSL-NSHDSACASA-N -1 3 363.888 3.229 20 0 FGADHM COc1ccc2c(c1)OC[C@@H]([N-]S(=O)(=O)c1cc(C)c(Cl)s1)C2 ZINC000473954415 502761480 /nfs/dbraw/zinc/76/14/80/502761480.db2.gz XPWYMDIWBNAXNB-NSHDSACASA-N -1 3 373.883 3.001 20 0 FGADHM O=C(CC1CCC1)Nc1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1F ZINC000477476702 502783309 /nfs/dbraw/zinc/78/33/09/502783309.db2.gz OGPFIFZQWGNYGB-UHFFFAOYSA-N -1 3 360.838 3.049 20 0 FGADHM COc1ccc(Br)c(S(=O)(=O)[N-]Cc2cccc(C)c2)c1 ZINC000474039969 502786940 /nfs/dbraw/zinc/78/69/40/502786940.db2.gz WSCDCOCNUUCXAU-UHFFFAOYSA-N -1 3 370.268 3.245 20 0 FGADHM Cc1csc(C[N-]S(=O)(=O)c2cccc(Br)c2C)n1 ZINC000474047546 502789609 /nfs/dbraw/zinc/78/96/09/502789609.db2.gz XGZYNAFFTAEANT-UHFFFAOYSA-N -1 3 361.286 3.001 20 0 FGADHM Cc1cc(C)n(-c2cccc([N-]S(=O)(=O)c3ccc(N(C)C)cc3)c2)n1 ZINC000477510267 502792854 /nfs/dbraw/zinc/79/28/54/502792854.db2.gz WYQQFTFXHVDGTO-UHFFFAOYSA-N -1 3 370.478 3.356 20 0 FGADHM COC(=O)[C@H](CS(=O)(=O)[N-]c1ccc(Cl)cc1C)c1ccccc1 ZINC000477514181 502794594 /nfs/dbraw/zinc/79/45/94/502794594.db2.gz DCNXXXKYUMWQDX-OAHLLOKOSA-N -1 3 367.854 3.347 20 0 FGADHM O=S(=O)([N-][C@@H](CO)CC1CCC1)c1cc2cc(Cl)ccc2s1 ZINC000481262293 502800591 /nfs/dbraw/zinc/80/05/91/502800591.db2.gz VBVATEYYLIGUJH-CYBMUJFWSA-N -1 3 359.900 3.384 20 0 FGADHM COc1c(C)cc(C)cc1S(=O)(=O)[N-]c1cc2c(cc1Cl)OCO2 ZINC000509097717 502820225 /nfs/dbraw/zinc/82/02/25/502820225.db2.gz JLDCPMILDBNADK-UHFFFAOYSA-N -1 3 369.826 3.495 20 0 FGADHM Cc1cc(C(=O)NCc2ccc(C(=O)Nc3cccnc3)cc2)ccc1[O-] ZINC000500629413 502829424 /nfs/dbraw/zinc/82/94/24/502829424.db2.gz FFMPWKJPBHTDPT-UHFFFAOYSA-N -1 3 361.401 3.278 20 0 FGADHM CCn1c(=O)[n-]nc1SCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000504992689 502835922 /nfs/dbraw/zinc/83/59/22/502835922.db2.gz UPTUTHCOKWBVFH-HNNXBMFYSA-N -1 3 374.491 3.063 20 0 FGADHM CC(C)COCCC[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000488917495 502837582 /nfs/dbraw/zinc/83/75/82/502837582.db2.gz SOUILTGEIPPARH-UHFFFAOYSA-N -1 3 357.369 3.186 20 0 FGADHM Cc1ccc(-c2noc(-c3ccc(F)c(S(=O)(=O)[N-]C4CC4)c3)n2)cc1 ZINC000505040453 502844168 /nfs/dbraw/zinc/84/41/68/502844168.db2.gz UKDNNTLLSMCBBD-UHFFFAOYSA-N -1 3 373.409 3.292 20 0 FGADHM O=C(N[C@H](c1cc(F)ccc1F)C(F)F)c1cc(F)cc2nn[n-]c21 ZINC000505108933 502852845 /nfs/dbraw/zinc/85/28/45/502852845.db2.gz QYQVYXAUCIUXND-CYBMUJFWSA-N -1 3 356.254 3.111 20 0 FGADHM O=C(N[C@H](c1cc(F)ccc1F)C(F)F)c1cc(F)cc2[n-]nnc21 ZINC000505108933 502852846 /nfs/dbraw/zinc/85/28/46/502852846.db2.gz QYQVYXAUCIUXND-CYBMUJFWSA-N -1 3 356.254 3.111 20 0 FGADHM O=C(N[C@H](c1cc(F)ccc1F)C(F)F)c1cc(F)cc2n[n-]nc21 ZINC000505108933 502852849 /nfs/dbraw/zinc/85/28/49/502852849.db2.gz QYQVYXAUCIUXND-CYBMUJFWSA-N -1 3 356.254 3.111 20 0 FGADHM O=C1CCc2cc([N-]S(=O)(=O)c3ccc4ncccc4c3)c(F)cc2N1 ZINC000489010311 502859976 /nfs/dbraw/zinc/85/99/76/502859976.db2.gz JGFOUCFLKGQHAA-UHFFFAOYSA-N -1 3 371.393 3.059 20 0 FGADHM O=C(NC1(c2ccc(Cl)cc2)CCOCC1)c1ccc2n[n-]nc2c1 ZINC000505156747 502860098 /nfs/dbraw/zinc/86/00/98/502860098.db2.gz NDFOFKPZBPWRDJ-UHFFFAOYSA-N -1 3 356.813 3.047 20 0 FGADHM COCc1cccc(S(=O)(=O)[N-]c2ccc(Cl)c(CN(C)C)c2)c1 ZINC000500796267 502865627 /nfs/dbraw/zinc/86/56/27/502865627.db2.gz QRIWDYAMTPBGBD-UHFFFAOYSA-N -1 3 368.886 3.349 20 0 FGADHM O=C(Nc1ccn(-c2ccccc2Cl)n1)c1cc(-c2ccco2)[n-]n1 ZINC000489071757 502872783 /nfs/dbraw/zinc/87/27/83/502872783.db2.gz MWTUNFUAVCMOOK-UHFFFAOYSA-N -1 3 353.769 3.183 20 0 FGADHM O=C(Nc1ccn(-c2ccccc2Cl)n1)c1cc(-c2ccco2)n[n-]1 ZINC000489071757 502872786 /nfs/dbraw/zinc/87/27/86/502872786.db2.gz MWTUNFUAVCMOOK-UHFFFAOYSA-N -1 3 353.769 3.183 20 0 FGADHM O=C(NC1(c2ccc(F)cc2)CCOCC1)c1cc(=O)c2ccccc2[n-]1 ZINC000500881799 502885467 /nfs/dbraw/zinc/88/54/67/502885467.db2.gz BPMVXILQYNCDHZ-UHFFFAOYSA-N -1 3 366.392 3.103 20 0 FGADHM CC(C)(C)[C@H](CCO)[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000509419552 502897003 /nfs/dbraw/zinc/89/70/03/502897003.db2.gz VGWFDUMOEVTYSN-LBPRGKRZSA-N -1 3 373.824 3.434 20 0 FGADHM CCC[C@](C)(O)C[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000509432988 502902037 /nfs/dbraw/zinc/90/20/37/502902037.db2.gz SJYFYGFCEWUHSW-LBPRGKRZSA-N -1 3 359.797 3.188 20 0 FGADHM O=S(=O)([N-]C[C@@H]1CCC[C@@H](O)C1)c1cc(Cl)ccc1C(F)(F)F ZINC000509452316 502906866 /nfs/dbraw/zinc/90/68/66/502906866.db2.gz MYPRJEAQWFEZFG-MWLCHTKSSA-N -1 3 371.808 3.188 20 0 FGADHM COC(=O)[C@@H](CC(C)C)Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000505487238 502915175 /nfs/dbraw/zinc/91/51/75/502915175.db2.gz NQNYBOANLYRZJY-CQSZACIVSA-N -1 3 372.450 3.201 20 0 FGADHM Cc1nc(C)c(CCC(=O)NCCc2cccc(Cl)c2Cl)c(=O)[n-]1 ZINC000501038802 502919182 /nfs/dbraw/zinc/91/91/82/502919182.db2.gz UCBRXCMOZVJANP-UHFFFAOYSA-N -1 3 368.264 3.397 20 0 FGADHM CCCCC[C@H]1CCCN1C(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000489295751 502921949 /nfs/dbraw/zinc/92/19/49/502921949.db2.gz TUARMCFRAIIIGI-AWEZNQCLSA-N -1 3 356.463 3.382 20 0 FGADHM O=C(NCc1ncccc1[O-])Nc1ncc(Cc2ccc(F)cc2)s1 ZINC000497135648 502923296 /nfs/dbraw/zinc/92/32/96/502923296.db2.gz XXEPOBPLKWKUKB-UHFFFAOYSA-N -1 3 358.398 3.295 20 0 FGADHM CCCN(C)[C@H](C[N-]S(=O)(=O)c1ccccn1)c1ccc(Cl)cc1 ZINC000509621401 502949962 /nfs/dbraw/zinc/94/99/62/502949962.db2.gz LMMSQGFKNVLWBD-MRXNPFEDSA-N -1 3 367.902 3.096 20 0 FGADHM COc1cccc(C[C@@H](C)[N-]S(=O)(=O)c2cc(OC)ccc2Cl)c1 ZINC000497406410 502950786 /nfs/dbraw/zinc/95/07/86/502950786.db2.gz GGNHVIWEUCDZNQ-GFCCVEGCSA-N -1 3 369.870 3.267 20 0 FGADHM COc1cccc(C[C@@H](C)[N-]S(=O)(=O)c2cccc(Cl)c2F)c1 ZINC000497420184 502954397 /nfs/dbraw/zinc/95/43/97/502954397.db2.gz RWJXGLXTVMRXPZ-LLVKDONJSA-N -1 3 357.834 3.397 20 0 FGADHM Cc1ncc(CNC(=O)Nc2cc(C)c(Br)cc2F)c(=O)[n-]1 ZINC000497448046 502961933 /nfs/dbraw/zinc/96/19/33/502961933.db2.gz WKAKBKHMCOWTBF-UHFFFAOYSA-N -1 3 369.194 3.022 20 0 FGADHM CCN(CC)[C@@H](C(=O)Nc1cc(C(=O)OC)ccc1[O-])c1ccccc1 ZINC000505721351 502973105 /nfs/dbraw/zinc/97/31/05/502973105.db2.gz YTRVCDVFZFYUJK-GOSISDBHSA-N -1 3 356.422 3.200 20 0 FGADHM Cc1cc2c[nH]nc2cc1NC(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000497507840 502975413 /nfs/dbraw/zinc/97/54/13/502975413.db2.gz JGINOECVAZUVJP-UHFFFAOYSA-N -1 3 354.316 3.243 20 0 FGADHM Cc1cc2c[nH]nc2cc1NC(=O)c1cnc2c(F)cc(F)cc2c1[O-] ZINC000497507840 502975418 /nfs/dbraw/zinc/97/54/18/502975418.db2.gz JGINOECVAZUVJP-UHFFFAOYSA-N -1 3 354.316 3.243 20 0 FGADHM COc1cc(C(=O)NCc2cc(F)ccc2Br)ccc1[O-] ZINC000509745635 502979034 /nfs/dbraw/zinc/97/90/34/502979034.db2.gz XEUUIXFTHZBGDY-UHFFFAOYSA-N -1 3 354.175 3.232 20 0 FGADHM Cc1ncc(CNC(=O)Nc2ccc(Cl)cc2OCC(F)F)c(=O)[n-]1 ZINC000497544457 502984404 /nfs/dbraw/zinc/98/44/04/502984404.db2.gz YUTNKOGSWPVHQE-UHFFFAOYSA-N -1 3 372.759 3.110 20 0 FGADHM CC[C@@H](C)[C@H]([N-]S(C)(=O)=O)C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000509819568 502992150 /nfs/dbraw/zinc/99/21/50/502992150.db2.gz NMEGWNCJIITHDC-YJYMSZOUSA-N -1 3 372.490 3.160 20 0 FGADHM COCCn1cc(C(=O)N=c2cc(-c3ccccc3)[n-][nH]2)c2ccccc21 ZINC000497579475 502992640 /nfs/dbraw/zinc/99/26/40/502992640.db2.gz RMJLFKMSEDFYRL-UHFFFAOYSA-N -1 3 360.417 3.352 20 0 FGADHM COc1cc(C(=O)N[C@@H]2CCCN(c3ccc(F)cc3C)C2)ccc1[O-] ZINC000509841863 502995574 /nfs/dbraw/zinc/99/55/74/502995574.db2.gz YLDWXNDFWKOGKO-MRXNPFEDSA-N -1 3 358.413 3.247 20 0 FGADHM CC[C@@H](CSC)[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000489677969 503008743 /nfs/dbraw/zinc/00/87/43/503008743.db2.gz 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373.393 3.288 20 0 FGADHM CN(C)c1cccc(CN(C)C(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)c1 ZINC000501672753 503057302 /nfs/dbraw/zinc/05/73/02/503057302.db2.gz WPKHKAISBFKIEV-UHFFFAOYSA-N -1 3 371.387 3.145 20 0 FGADHM COc1cc(C(=O)Nc2cccc(Oc3cnccn3)c2)cc(OC)c1[O-] ZINC000513969581 503057696 /nfs/dbraw/zinc/05/76/96/503057696.db2.gz YVVOGIPYRFOKIU-UHFFFAOYSA-N -1 3 367.361 3.244 20 0 FGADHM CCC(=O)N[C@H](CCSC)C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000506223490 503072306 /nfs/dbraw/zinc/07/23/06/503072306.db2.gz KYCMXVASGCROMB-CQSZACIVSA-N -1 3 352.500 3.276 20 0 FGADHM COc1ccc(OC)c(NC(=O)C(=O)Nc2ccc(C(C)(C)C)cc2[O-])c1 ZINC000506229962 503073745 /nfs/dbraw/zinc/07/37/45/503073745.db2.gz HYLFOPWTIFPNIQ-UHFFFAOYSA-N -1 3 372.421 3.284 20 0 FGADHM O=C1CCC(=O)N1c1cccc(-c2nc3cc(Cl)ccc3c(=O)[n-]2)c1 ZINC000510247442 503078714 /nfs/dbraw/zinc/07/87/14/503078714.db2.gz XRKSVTZIRJCKNM-UHFFFAOYSA-N -1 3 353.765 3.309 20 0 FGADHM Cc1cccc(Cl)c1CC(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000490047203 503098469 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CC(C)(C)c1ccc(NC(=O)CNC(=O)c2cc(F)cc(F)c2)c([O-])c1 ZINC000502003379 503124170 /nfs/dbraw/zinc/12/41/70/503124170.db2.gz BRJSBHHTYGAMBM-UHFFFAOYSA-N -1 3 362.376 3.336 20 0 FGADHM CC(C)[C@@]1(C(=O)[O-])CCN(Cc2nn(-c3ccccc3)c3c2CCC3)C1 ZINC000514608863 503148658 /nfs/dbraw/zinc/14/86/58/503148658.db2.gz BWGZIAMKEQYFLF-OAQYLSRUSA-N -1 3 353.466 3.294 20 0 FGADHM O=S(=O)([N-][C@H]1[C@@H]2CCC[C@@H]21)c1cc(Br)cc2cccnc21 ZINC000514622796 503151539 /nfs/dbraw/zinc/15/15/39/503151539.db2.gz URPUUTJPNGKBPH-JYAVWHMHSA-N -1 3 367.268 3.074 20 0 FGADHM O=C(c1c[n-]nc1-c1ccc(Cl)cc1)N1C[C@@H](CO)c2ccccc21 ZINC000498309343 503154772 /nfs/dbraw/zinc/15/47/72/503154772.db2.gz HAANFARKEREQGQ-ZDUSSCGKSA-N -1 3 353.809 3.466 20 0 FGADHM CC(C)Oc1nc(C(F)(F)F)ccc1-c1nc(-c2cc(=O)[n-]cn2)no1 ZINC000582664539 506355219 /nfs/dbraw/zinc/35/52/19/506355219.db2.gz IBSWJHWZLDKZHN-UHFFFAOYSA-N -1 3 367.287 3.100 20 0 FGADHM COC(=O)c1csc(S(=O)(=O)[N-]Cc2ccc(C(C)C)cc2)c1 ZINC000502196530 503161264 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XBAPTMGCBZBQLW-CQSZACIVSA-N -1 3 358.398 3.425 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1cnccc1C(F)(F)F)c1ccc2n[nH]cc2c1 ZINC000511037468 503239886 /nfs/dbraw/zinc/23/98/86/503239886.db2.gz ZTWPZKQKWYBRGV-VIFPVBQESA-N -1 3 370.356 3.016 20 0 FGADHM Cc1ccc(-c2nc(C(=O)N=c3cc(OC(F)F)n(C)[n-]3)cs2)cc1 ZINC000490920163 503245787 /nfs/dbraw/zinc/24/57/87/503245787.db2.gz QXHHBSLFNKHMER-UHFFFAOYSA-N -1 3 364.377 3.128 20 0 FGADHM Cc1nc(-c2ccccc2)ccc1C(=O)N=c1cc(OC(F)F)n(C)[n-]1 ZINC000490922846 503246763 /nfs/dbraw/zinc/24/67/63/503246763.db2.gz DPZYQEQCEDICSU-UHFFFAOYSA-N -1 3 358.348 3.066 20 0 FGADHM O=C1C[C@@H](c2nc(=O)c3cc(C(F)(F)F)sc3[n-]2)CN1CC1CC1 ZINC000515003315 503247403 /nfs/dbraw/zinc/24/74/03/503247403.db2.gz JJXGEVTXTRDBSN-MRVPVSSYSA-N -1 3 357.357 3.142 20 0 FGADHM Cn1[n-]c(=NC(=O)c2ccc(Cl)cc2C(F)(F)F)cc1OC(F)F ZINC000490990859 503256890 /nfs/dbraw/zinc/25/68/90/503256890.db2.gz SCCFFJHAKAAUBW-UHFFFAOYSA-N -1 3 369.677 3.368 20 0 FGADHM CCOc1ccc([C@@H](N=c2ncnc3[nH][n-]cc2-3)C(C)C)cc1OCC ZINC000502742727 503261718 /nfs/dbraw/zinc/26/17/18/503261718.db2.gz XSZNITSPAWDSSK-KRWDZBQOSA-N -1 3 355.442 3.333 20 0 FGADHM CC(C)[C@H](NC(=O)NCc1nnc(C(F)(F)F)[n-]1)c1ccc(F)cc1 ZINC000507371183 503288118 /nfs/dbraw/zinc/28/81/18/503288118.db2.gz OIGWLKPJTMRFDM-LBPRGKRZSA-N -1 3 359.327 3.159 20 0 FGADHM CC(C)[C@H](NC(=O)NCc1n[n-]c(C(F)(F)F)n1)c1ccc(F)cc1 ZINC000507371183 503288121 /nfs/dbraw/zinc/28/81/21/503288121.db2.gz OIGWLKPJTMRFDM-LBPRGKRZSA-N -1 3 359.327 3.159 20 0 FGADHM CC(C)[C@H](NC(=O)NCc1nc(C(F)(F)F)n[n-]1)c1ccc(F)cc1 ZINC000507371183 503288123 /nfs/dbraw/zinc/28/81/23/503288123.db2.gz OIGWLKPJTMRFDM-LBPRGKRZSA-N -1 3 359.327 3.159 20 0 FGADHM O=S(=O)([N-][C@@H](CO)CC1CCCC1)c1cccc(Cl)c1Cl ZINC000511256367 503288763 /nfs/dbraw/zinc/28/87/63/503288763.db2.gz FPXOXGUEOJZBIN-LLVKDONJSA-N -1 3 352.283 3.213 20 0 FGADHM CCCC[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000491257867 503291839 /nfs/dbraw/zinc/29/18/39/503291839.db2.gz GURNXDXBORIRLN-AWEZNQCLSA-N -1 3 361.891 3.366 20 0 FGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)C1(c2ccccc2F)CC1 ZINC000511281124 503292813 /nfs/dbraw/zinc/29/28/13/503292813.db2.gz LDXZLEHLIGWNII-UHFFFAOYSA-N -1 3 374.213 3.328 20 0 FGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)c1c(F)ccc(F)c1F ZINC000511317035 503299388 /nfs/dbraw/zinc/29/93/88/503299388.db2.gz WZOOVKFHLFISFI-UHFFFAOYSA-N -1 3 370.128 3.188 20 0 FGADHM O=C(Cc1ccc(Cl)s1)N=c1cc2ccc(Br)cn2[n-]1 ZINC000511324764 503300813 /nfs/dbraw/zinc/30/08/13/503300813.db2.gz XVPHRUDAFRGRHC-UHFFFAOYSA-N -1 3 370.659 3.415 20 0 FGADHM CS(=O)(=O)c1ccc(C(=O)[N-]c2ccnc(Oc3ccccc3)c2)o1 ZINC000511328800 503301567 /nfs/dbraw/zinc/30/15/67/503301567.db2.gz TUENYMUFFUZYJQ-UHFFFAOYSA-N -1 3 358.375 3.123 20 0 FGADHM Cc1cc(OCCN2CCC(n3cc(C(=O)[O-])nn3)CC2)ccc1C(C)C ZINC000515356933 503322947 /nfs/dbraw/zinc/32/29/47/503322947.db2.gz NBGHSYDFVDJTAX-UHFFFAOYSA-N -1 3 372.469 3.124 20 0 FGADHM CCc1cc([N-]S(=O)(=O)c2ccc(C)c(NC(C)=O)c2)ccc1F ZINC000507612857 503332316 /nfs/dbraw/zinc/33/23/16/503332316.db2.gz JZLMHPHJBDMEAU-UHFFFAOYSA-N -1 3 350.415 3.456 20 0 FGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000491932618 503338365 /nfs/dbraw/zinc/33/83/65/503338365.db2.gz MBPHSMCMQYFTGI-CABCVRRESA-N -1 3 366.389 3.046 20 0 FGADHM CCCCc1n[n-]c(=NC(=O)N[C@H](CN2CCCC2)c2ccccc2)s1 ZINC000503141913 503353896 /nfs/dbraw/zinc/35/38/96/503353896.db2.gz AKYDJLNWRPASBB-MRXNPFEDSA-N -1 3 373.526 3.261 20 0 FGADHM C[C@@H]1C[C@H](CCNC(=O)Cc2ccc(Br)cc2[O-])CCO1 ZINC000499223429 503359338 /nfs/dbraw/zinc/35/93/38/503359338.db2.gz QEJVTYPXVIDLKA-VXGBXAGGSA-N -1 3 356.260 3.019 20 0 FGADHM Cc1cc(C)c(-c2cc(=NC(=O)CNC(=O)CC3CCCC3)[nH][n-]2)cc1C ZINC000511648095 503361821 /nfs/dbraw/zinc/36/18/21/503361821.db2.gz RYZFCCVHXXABQZ-UHFFFAOYSA-N -1 3 368.481 3.059 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]Cc2cccc(OC(C)(C)C)n2)c(F)cc1F ZINC000503225049 503371190 /nfs/dbraw/zinc/37/11/90/503371190.db2.gz WTWAILGTBXVEIO-UHFFFAOYSA-N -1 3 370.421 3.324 20 0 FGADHM CCc1cccc2c1OCC[C@H]2[N-]S(=O)(=O)c1cccc(F)c1F ZINC000507841659 503378006 /nfs/dbraw/zinc/37/80/06/503378006.db2.gz OGAQBLMXORTOSB-CQSZACIVSA-N -1 3 353.390 3.329 20 0 FGADHM CCCn1c(=O)[n-]nc1S(=O)(=O)Cc1ccc(C(C)(C)CC)cc1 ZINC000507850590 503379610 /nfs/dbraw/zinc/37/96/10/503379610.db2.gz KMZPMHIFBJHZRR-UHFFFAOYSA-N -1 3 351.472 3.055 20 0 FGADHM O=C(N[C@H](c1nccs1)c1ccccc1)c1cc(F)cc2nn[n-]c21 ZINC000503299651 503386286 /nfs/dbraw/zinc/38/62/86/503386286.db2.gz ZGWUWEFZYUCCGT-AWEZNQCLSA-N -1 3 353.382 3.073 20 0 FGADHM O=C(N[C@H](c1nccs1)c1ccccc1)c1cc(F)cc2[n-]nnc21 ZINC000503299651 503386290 /nfs/dbraw/zinc/38/62/90/503386290.db2.gz ZGWUWEFZYUCCGT-AWEZNQCLSA-N -1 3 353.382 3.073 20 0 FGADHM O=C(N[C@H](c1nccs1)c1ccccc1)c1cc(F)cc2n[n-]nc21 ZINC000503299651 503386294 /nfs/dbraw/zinc/38/62/94/503386294.db2.gz ZGWUWEFZYUCCGT-AWEZNQCLSA-N -1 3 353.382 3.073 20 0 FGADHM O=C(Nc1ccc(OCc2ccncc2)cc1)c1cc(F)cc2[n-]nnc21 ZINC000503312163 503387961 /nfs/dbraw/zinc/38/79/61/503387961.db2.gz OOQGASPBOYWNPT-UHFFFAOYSA-N -1 3 363.352 3.323 20 0 FGADHM O=C(Nc1ccc(OCc2ccncc2)cc1)c1cc(F)cc2nn[n-]c21 ZINC000503312163 503387964 /nfs/dbraw/zinc/38/79/64/503387964.db2.gz OOQGASPBOYWNPT-UHFFFAOYSA-N -1 3 363.352 3.323 20 0 FGADHM O=C(Nc1ccc(OCc2ccncc2)cc1)c1cc(F)cc2n[n-]nc21 ZINC000503312163 503387967 /nfs/dbraw/zinc/38/79/67/503387967.db2.gz OOQGASPBOYWNPT-UHFFFAOYSA-N -1 3 363.352 3.323 20 0 FGADHM Cc1cccc(C)c1OC[C@@H](C)[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000511811713 503392947 /nfs/dbraw/zinc/39/29/47/503392947.db2.gz SREILBYMXFRXLX-CYBMUJFWSA-N -1 3 355.406 3.327 20 0 FGADHM CC(C)(C)c1cc(CS(=O)(=O)[N-]c2cccc(OCCF)c2)no1 ZINC000507983128 503408724 /nfs/dbraw/zinc/40/87/24/503408724.db2.gz HIFVYJCRFSQGPN-UHFFFAOYSA-N -1 3 356.419 3.262 20 0 FGADHM CN(C)c1nc(-c2nc(-c3ccc(F)cc3C(F)(F)F)no2)cc(=O)[n-]1 ZINC000508035867 503416528 /nfs/dbraw/zinc/41/65/28/503416528.db2.gz 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503449017 /nfs/dbraw/zinc/44/90/17/503449017.db2.gz NDYXAOVAEKLMAM-UHFFFAOYSA-N -1 3 356.447 3.291 20 0 FGADHM COc1ccccc1CS(=O)(=O)c1nc(Cc2ccccc2)c(C)[n-]1 ZINC000503633763 503449022 /nfs/dbraw/zinc/44/90/22/503449022.db2.gz NDYXAOVAEKLMAM-UHFFFAOYSA-N -1 3 356.447 3.291 20 0 FGADHM CC[C@@H](NC(=O)c1cnc2c(cnn2C)c1[O-])c1ccc(Cl)s1 ZINC000512078939 503452174 /nfs/dbraw/zinc/45/21/74/503452174.db2.gz NVDVTNRGWADEGQ-SNVBAGLBSA-N -1 3 350.831 3.270 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Br)c1ccon1 ZINC000493901056 503455109 /nfs/dbraw/zinc/45/51/09/503455109.db2.gz QSFSWWPSXQRWMT-SSDOTTSWSA-N -1 3 365.636 3.130 20 0 FGADHM CCCC(=O)Nc1cccc(CNC(=O)c2c[n-]c3ccccc3c2=O)c1 ZINC000516172375 503461805 /nfs/dbraw/zinc/46/18/05/503461805.db2.gz ZESVHLQYWLQPRU-UHFFFAOYSA-N -1 3 363.417 3.197 20 0 FGADHM Cc1cc(C(=O)NC2CCN(C(=O)CCc3ccccc3)CC2)ccc1[O-] ZINC000499710631 503463937 /nfs/dbraw/zinc/46/39/37/503463937.db2.gz JSBKJRLMVSZIDE-UHFFFAOYSA-N -1 3 366.461 3.054 20 0 FGADHM 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ZINC000494122017 503490956 /nfs/dbraw/zinc/49/09/56/503490956.db2.gz VVGMWDRUBRMAGF-UHFFFAOYSA-N -1 3 362.389 3.251 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)Cn3c(C)cc4ccccc43)nc21 ZINC000494122017 503490957 /nfs/dbraw/zinc/49/09/57/503490957.db2.gz VVGMWDRUBRMAGF-UHFFFAOYSA-N -1 3 362.389 3.251 20 0 FGADHM COc1cccc(NC(=O)C(=O)c2c(C)nn(-c3ccccc3)c2C)c1[O-] ZINC000494131754 503493016 /nfs/dbraw/zinc/49/30/16/503493016.db2.gz ISHDXLZVMKSJIV-UHFFFAOYSA-N -1 3 365.389 3.025 20 0 FGADHM CSc1ccc(-c2nsc([N-]C(=O)c3cnn4ccncc34)n2)cc1 ZINC000499843779 503493586 /nfs/dbraw/zinc/49/35/86/503493586.db2.gz JWYQGWHXNXSMOF-UHFFFAOYSA-N -1 3 368.447 3.222 20 0 FGADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N[C@@H]1CCC[C@H](c2ccccc2)C1 ZINC000516370188 503502788 /nfs/dbraw/zinc/50/27/88/503502788.db2.gz ALNAWZGPBYTPSN-LSDHHAIUSA-N -1 3 363.417 3.418 20 0 FGADHM O=S(=O)([N-]Cc1ccc(Oc2ccccc2)cc1)c1cncc(F)c1 ZINC000588906412 506375901 /nfs/dbraw/zinc/37/59/01/506375901.db2.gz YKJSESMDLPHYTN-UHFFFAOYSA-N -1 3 358.394 3.492 20 0 FGADHM [O-]c1ccc(F)c(CN2CCC(n3cc(Br)cn3)CC2)c1F ZINC000508518345 503511504 /nfs/dbraw/zinc/51/15/04/503511504.db2.gz MVEOPMPYHOJNQK-UHFFFAOYSA-N -1 3 372.213 3.467 20 0 FGADHM CCOC(=O)c1nnsc1[N-]C(=O)c1csc(-c2ccccc2)n1 ZINC000512366184 503528696 /nfs/dbraw/zinc/52/86/96/503528696.db2.gz ASDKHDTVPNWRES-UHFFFAOYSA-N -1 3 360.420 3.091 20 0 FGADHM O=S(=O)([N-]CCCCc1ccccc1)c1ccc(Br)cn1 ZINC000608019058 506377273 /nfs/dbraw/zinc/37/72/73/506377273.db2.gz RZQCTDVDUXSELU-UHFFFAOYSA-N -1 3 369.284 3.145 20 0 FGADHM Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)ccc1[O-] ZINC000500058316 503542914 /nfs/dbraw/zinc/54/29/14/503542914.db2.gz VKRFCDUINTUXOE-OAHLLOKOSA-N -1 3 362.788 3.028 20 0 FGADHM Cn1ncc2c1ncc(C(=O)Nc1ccc3ccc(Cl)cc3n1)c2[O-] ZINC000504283417 503549077 /nfs/dbraw/zinc/54/90/77/503549077.db2.gz CIHUBDRZOHFJRI-UHFFFAOYSA-N -1 3 353.769 3.128 20 0 FGADHM C[C@]1(C[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CCOC1 ZINC000500100765 503554036 /nfs/dbraw/zinc/55/40/36/503554036.db2.gz 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ZINC000508967358 503609892 /nfs/dbraw/zinc/60/98/92/503609892.db2.gz ZNBIQIDPPVJCQQ-RUZDIDTESA-N -1 3 359.447 3.072 20 0 FGADHM C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCN2C(=O)Cc2ccc([O-])cc2Cl)C1 ZINC000500371593 503610244 /nfs/dbraw/zinc/61/02/44/503610244.db2.gz RYIMDFVKAJSWQG-QVDUIBETSA-N -1 3 351.874 3.376 20 0 FGADHM C[C@H]1CN(Cc2ccccc2)CCN1C(=O)Cc1ccc([O-])cc1Cl ZINC000508995178 503615861 /nfs/dbraw/zinc/61/58/61/503615861.db2.gz KLKVYVBYAMHQJB-HNNXBMFYSA-N -1 3 358.869 3.321 20 0 FGADHM COC(=O)c1nc[n-]c1NC(=O)[C@@H]1CC[C@H]1c1ccc(Cl)cc1F ZINC000516935302 503623193 /nfs/dbraw/zinc/62/31/93/503623193.db2.gz SAWSXUSOWRMVKS-GXSJLCMTSA-N -1 3 351.765 3.121 20 0 FGADHM COC(=O)c1[n-]cnc1NC(=O)[C@@H]1CC[C@H]1c1ccc(Cl)cc1F ZINC000516935302 503623198 /nfs/dbraw/zinc/62/31/98/503623198.db2.gz SAWSXUSOWRMVKS-GXSJLCMTSA-N -1 3 351.765 3.121 20 0 FGADHM O=S(=O)([N-]C[C@H]1CCCCO1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000500433866 503623659 /nfs/dbraw/zinc/62/36/59/503623659.db2.gz OXZWYDGEJDTQHP-CYBMUJFWSA-N 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FGADHM CCCN(CCC)S(=O)(=O)[N-]c1cnn(-c2ccccc2F)c1C ZINC000533254475 503778265 /nfs/dbraw/zinc/77/82/65/503778265.db2.gz NAOBUFZBOWQAJT-UHFFFAOYSA-N -1 3 354.451 3.099 20 0 FGADHM CO[C@H]1CCC[C@H]1C[N-]S(=O)(=O)c1oc2ccc(Cl)cc2c1C ZINC000537018391 503778569 /nfs/dbraw/zinc/77/85/69/503778569.db2.gz WEUADCZXGPQCCC-FZMZJTMJSA-N -1 3 357.859 3.488 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]C[C@@H]2CCC[C@@H]2OC)c(Cl)c1Cl ZINC000537020665 503778778 /nfs/dbraw/zinc/77/87/78/503778778.db2.gz IRVNERIIAVVKJI-UWVGGRQHSA-N -1 3 368.282 3.095 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@H]2CC23CCCCC3)c1-c1ccc2c(c1)OCCO2 ZINC000533261695 503783348 /nfs/dbraw/zinc/78/33/48/503783348.db2.gz HXLLGLJGLHASEO-OAHLLOKOSA-N -1 3 367.449 3.487 20 0 FGADHM Cn1[n-]c(CN[C@H](CCCCc2ccccc2)c2ccccc2)nc1=O ZINC000543473090 503785807 /nfs/dbraw/zinc/78/58/07/503785807.db2.gz WAWUTDDTGASBCJ-LJQANCHMSA-N -1 3 350.466 3.352 20 0 FGADHM O=C(c1csc(=O)[n-]1)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000527454780 503794463 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359.499 3.296 20 0 FGADHM CSCC1CCC(NC(=O)N=c2[n-]n(C)cc2Br)CC1 ZINC000603051638 520050797 /nfs/dbraw/zinc/05/07/97/520050797.db2.gz XIOCMXQAPNDRRV-UHFFFAOYSA-N -1 3 361.309 3.226 20 0 FGADHM CSc1nc(C(C)C)nc(C)c1C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000616825832 520164571 /nfs/dbraw/zinc/16/45/71/520164571.db2.gz BNBUEEGCABQCJF-GFCCVEGCSA-N -1 3 361.471 3.457 20 0 FGADHM Cc1ccc(C2(C(=O)N=c3cc([C@H]4CCCO4)[n-][nH]3)CCOCC2)cc1 ZINC000616827123 520164866 /nfs/dbraw/zinc/16/48/66/520164866.db2.gz ZWUGQELHACVFHC-QGZVFWFLSA-N -1 3 355.438 3.257 20 0 FGADHM CCc1cc([N-]C(=O)c2csc(-c3ccc4c(c3)OCCO4)n2)no1 ZINC000606892026 521195994 /nfs/dbraw/zinc/19/59/94/521195994.db2.gz WZJCZOYNMAHVFO-UHFFFAOYSA-N -1 3 357.391 3.384 20 0 FGADHM CN1C(=O)CC[C@H]1CC(=O)N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1 ZINC000612154152 521509034 /nfs/dbraw/zinc/50/90/34/521509034.db2.gz YFJGXZYYZRKHRF-LBPRGKRZSA-N -1 3 367.236 3.333 20 0 FGADHM CCCc1n[n-]c(=NC(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)s1 ZINC000608267510 521642079 /nfs/dbraw/zinc/64/20/79/521642079.db2.gz NJJWWYXSAOTXKI-OAHLLOKOSA-N -1 3 359.499 3.229 20 0 FGADHM C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)N=c2cc(-c3cc(F)cc(F)c3)[n-][nH]2)C1 ZINC000623201014 521848918 /nfs/dbraw/zinc/84/89/18/521848918.db2.gz CKWYTYFMJBUJJU-OTYXRUKQSA-N -1 3 357.364 3.383 20 0 FGADHM C[C@H](C(=O)N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1)[C@H]1CCC(=O)N1 ZINC000626053097 521891515 /nfs/dbraw/zinc/89/15/15/521891515.db2.gz PEUQHFNSUFTVDN-QPUJVOFHSA-N -1 3 367.236 3.237 20 0 FGADHM C[C@@H](C(=O)N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1)[C@H]1CCC(=O)N1 ZINC000626053096 521891579 /nfs/dbraw/zinc/89/15/79/521891579.db2.gz PEUQHFNSUFTVDN-PRHODGIISA-N -1 3 367.236 3.237 20 0 FGADHM COc1cccc(-c2c(C)[n-][nH]c2=NC(=O)c2nn(C)c3c2CCCC3)c1 ZINC000629691911 522398332 /nfs/dbraw/zinc/39/83/32/522398332.db2.gz CJYTYPJADKIXHJ-UHFFFAOYSA-N -1 3 365.437 3.258 20 0 FGADHM O=C(CNC(=O)c1cccs1)N=c1cc(-c2cccc(Cl)c2)[n-][nH]1 ZINC000622892399 523534990 /nfs/dbraw/zinc/53/49/90/523534990.db2.gz NYISYDHZLHFVRL-UHFFFAOYSA-N -1 3 360.826 3.160 20 0 FGADHM C[C@@H]1C[C@@H](CNC(=O)N=c2cc3ccc(Br)cn3[n-]2)CCO1 ZINC000482181645 561249801 /nfs/dbraw/zinc/24/98/01/561249801.db2.gz FPXOGVFXVDNNNM-MNOVXSKESA-N -1 3 367.247 3.033 20 0 FGADHM CC[C@@H](C[C@@H](C)CO)NC(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482188530 561249948 /nfs/dbraw/zinc/24/99/48/561249948.db2.gz RKFMZOPUONKDGK-PWSUYJOCSA-N -1 3 369.263 3.015 20 0 FGADHM Cc1n[n-]c(=NC(=O)NC[C@H](C(C)C)N2CCc3ccccc3C2)s1 ZINC000504868610 561663320 /nfs/dbraw/zinc/66/33/20/561663320.db2.gz GNVVNYMSUMXKCW-MRXNPFEDSA-N -1 3 359.499 3.051 20 0 FGADHM COc1cc(C)cnc1C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000511274709 561863658 /nfs/dbraw/zinc/86/36/58/561863658.db2.gz BDWDXYBNZRHDJG-UHFFFAOYSA-N -1 3 361.199 3.061 20 0 FGADHM Cc1cc(C)cc(-c2cc(=NC(=O)Cn3c(=O)cnc4ccccc43)[nH][n-]2)c1 ZINC000512555457 561909016 /nfs/dbraw/zinc/90/90/16/561909016.db2.gz PKKLEPYMKJJNCU-UHFFFAOYSA-N -1 3 373.416 3.042 20 0 FGADHM COc1cc(=NC(=O)N2CCc3cccc(C(F)(F)F)c3C2)[n-]n1C ZINC000529069743 562358651 /nfs/dbraw/zinc/35/86/51/562358651.db2.gz OKYWOATZDDGHFP-UHFFFAOYSA-N -1 3 354.332 3.038 20 0 FGADHM C[C@H](C[N-]S(=O)(=O)c1cc(Br)cc2cccnc21)C1CC1 ZINC000672379290 567880449 /nfs/dbraw/zinc/88/04/49/567880449.db2.gz GLSIQOLZKLXXIE-SNVBAGLBSA-N -1 3 369.284 3.322 20 0 FGADHM COc1ccc(C[C@H]2CCCN(C(=O)c3ccc4[nH][n-]c(=O)c4c3)C2)cc1 ZINC000669178479 568271486 /nfs/dbraw/zinc/27/14/86/568271486.db2.gz DOFRJNZXNGFXRK-OAHLLOKOSA-N -1 3 365.433 3.372 20 0 FGADHM O=C(Nc1ccnc(OCC(F)(F)F)c1)c1cc(-c2ccco2)[n-]n1 ZINC000647747082 568379649 /nfs/dbraw/zinc/37/96/49/568379649.db2.gz VROCOFHFYRNDQB-UHFFFAOYSA-N -1 3 352.272 3.258 20 0 FGADHM O=C(Nc1ccnc(OCC(F)(F)F)c1)c1cc(-c2ccco2)n[n-]1 ZINC000647747082 568379650 /nfs/dbraw/zinc/37/96/50/568379650.db2.gz VROCOFHFYRNDQB-UHFFFAOYSA-N -1 3 352.272 3.258 20 0 FGADHM CS[C@@H](C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000737171662 598831243 /nfs/dbraw/zinc/83/12/43/598831243.db2.gz OSRLFMCWYVYHSA-MLGOLLRUSA-N -1 3 353.451 3.148 20 0 FGADHM CS[C@@H](C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000737171662 598831246 /nfs/dbraw/zinc/83/12/46/598831246.db2.gz OSRLFMCWYVYHSA-MLGOLLRUSA-N -1 3 353.451 3.148 20 0 FGADHM C[C@H]1C[C@H](NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)C[C@@H](C)C1 ZINC000736225851 598838109 /nfs/dbraw/zinc/83/81/09/598838109.db2.gz SKOFDBXBYIIISR-QLPKVWCKSA-N -1 3 371.485 3.357 20 0 FGADHM C[C@H]1C[C@H](NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)C[C@@H](C)C1 ZINC000736225851 598838110 /nfs/dbraw/zinc/83/81/10/598838110.db2.gz SKOFDBXBYIIISR-QLPKVWCKSA-N -1 3 371.485 3.357 20 0 FGADHM COC(=O)[C@@H](N[C@H](c1ccccc1)C(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736898621 598859090 /nfs/dbraw/zinc/85/90/90/598859090.db2.gz VONFXASUYCJBQL-ROUUACIJSA-N -1 3 365.437 3.068 20 0 FGADHM COC(=O)[C@@H](N[C@H](c1ccccc1)C(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736898621 598859095 /nfs/dbraw/zinc/85/90/95/598859095.db2.gz VONFXASUYCJBQL-ROUUACIJSA-N -1 3 365.437 3.068 20 0 FGADHM CC(C)(C)OC(=O)CSc1nc(-c2ccccc2)ccc1-c1nnn[n-]1 ZINC000735624900 598901699 /nfs/dbraw/zinc/90/16/99/598901699.db2.gz XKMUPVYIYUWBFN-UHFFFAOYSA-N -1 3 369.450 3.363 20 0 FGADHM CC(C)(C)OC(=O)CSc1nc(-c2ccccc2)ccc1-c1nn[n-]n1 ZINC000735624900 598901701 /nfs/dbraw/zinc/90/17/01/598901701.db2.gz XKMUPVYIYUWBFN-UHFFFAOYSA-N -1 3 369.450 3.363 20 0 FGADHM CC(C)[C@H](C)NC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000735706428 598926071 /nfs/dbraw/zinc/92/60/71/598926071.db2.gz AGQISAXEDHXMNY-AWEZNQCLSA-N -1 3 365.437 3.220 20 0 FGADHM CC(C)[C@H](C)NC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000735706428 598926072 /nfs/dbraw/zinc/92/60/72/598926072.db2.gz AGQISAXEDHXMNY-AWEZNQCLSA-N -1 3 365.437 3.220 20 0 FGADHM Cc1ccccc1C[C@H]1CCCN1C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000737428227 598934923 /nfs/dbraw/zinc/93/49/23/598934923.db2.gz VDFYELVKLXHODF-JXOMPUQVSA-N -1 3 373.460 3.422 20 0 FGADHM Cc1ccccc1C[C@H]1CCCN1C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000737428227 598934926 /nfs/dbraw/zinc/93/49/26/598934926.db2.gz VDFYELVKLXHODF-JXOMPUQVSA-N -1 3 373.460 3.422 20 0 FGADHM Fc1cccc(C[C@H]2CCCN2c2ncc(-c3nnn[n-]3)cc2Cl)c1 ZINC000737668631 598939519 /nfs/dbraw/zinc/93/95/19/598939519.db2.gz WIPKNUPBACYECE-CQSZACIVSA-N -1 3 358.808 3.266 20 0 FGADHM Fc1cccc(C[C@H]2CCCN2c2ncc(-c3nn[n-]n3)cc2Cl)c1 ZINC000737668631 598939521 /nfs/dbraw/zinc/93/95/21/598939521.db2.gz WIPKNUPBACYECE-CQSZACIVSA-N -1 3 358.808 3.266 20 0 FGADHM COCCN(CCCc1ccccc1)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000736995625 598939779 /nfs/dbraw/zinc/93/97/79/598939779.db2.gz VGNNOPNIFKDXIX-UHFFFAOYSA-N -1 3 372.860 3.001 20 0 FGADHM COCCN(CCCc1ccccc1)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000736995625 598939780 /nfs/dbraw/zinc/93/97/80/598939780.db2.gz VGNNOPNIFKDXIX-UHFFFAOYSA-N -1 3 372.860 3.001 20 0 FGADHM CC(C)C[C@H]1CCCCCN1C(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000735795133 598943578 /nfs/dbraw/zinc/94/35/78/598943578.db2.gz LFUMNEAYWUQIKX-HZPDHXFCSA-N -1 3 371.485 3.451 20 0 FGADHM CC(C)C[C@H]1CCCCCN1C(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000735795133 598943579 /nfs/dbraw/zinc/94/35/79/598943579.db2.gz LFUMNEAYWUQIKX-HZPDHXFCSA-N -1 3 371.485 3.451 20 0 FGADHM Cc1ccc(N[C@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)cc1Cl ZINC000737358885 598960297 /nfs/dbraw/zinc/96/02/97/598960297.db2.gz AYRWFIAYSWFLTL-INIZCTEOSA-N -1 3 368.828 3.046 20 0 FGADHM Cc1ccc(N[C@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)cc1Cl ZINC000737358885 598960299 /nfs/dbraw/zinc/96/02/99/598960299.db2.gz AYRWFIAYSWFLTL-INIZCTEOSA-N -1 3 368.828 3.046 20 0 FGADHM CCOC(=O)[C@H](C)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736586168 598960794 /nfs/dbraw/zinc/96/07/94/598960794.db2.gz MQAMPRHZBFNXME-LBPRGKRZSA-N -1 3 353.382 3.023 20 0 FGADHM CCOC(=O)[C@H](C)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736586168 598960796 /nfs/dbraw/zinc/96/07/96/598960796.db2.gz MQAMPRHZBFNXME-LBPRGKRZSA-N -1 3 353.382 3.023 20 0 FGADHM C[C@@](O)(CNc1ccc(-c2nn[n-]n2)cc1C(F)(F)F)c1ccsc1 ZINC000736140711 598976569 /nfs/dbraw/zinc/97/65/69/598976569.db2.gz AKSVSJSIJRYTDP-CQSZACIVSA-N -1 3 369.372 3.267 20 0 FGADHM CCC[C@H](C)NC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000736424344 598979869 /nfs/dbraw/zinc/97/98/69/598979869.db2.gz QMTDJPYITHYTNQ-AWEZNQCLSA-N -1 3 365.437 3.364 20 0 FGADHM CCC[C@H](C)NC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000736424344 598979871 /nfs/dbraw/zinc/97/98/71/598979871.db2.gz QMTDJPYITHYTNQ-AWEZNQCLSA-N -1 3 365.437 3.364 20 0 FGADHM CC[C@H](C)N(C)C(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000736323187 598989166 /nfs/dbraw/zinc/98/91/66/598989166.db2.gz VNJBOVJFKXEGOQ-AWEZNQCLSA-N -1 3 365.437 3.316 20 0 FGADHM CC[C@H](C)N(C)C(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000736323187 598989167 /nfs/dbraw/zinc/98/91/67/598989167.db2.gz VNJBOVJFKXEGOQ-AWEZNQCLSA-N -1 3 365.437 3.316 20 0 FGADHM C[C@@H]1CCC[C@H](NC(=O)c2c(Cl)cc(-c3nnn[n-]3)cc2Cl)C1 ZINC000824927104 607833083 /nfs/dbraw/zinc/83/30/83/607833083.db2.gz MPASKHPUSZCDQX-SCZZXKLOSA-N -1 3 354.241 3.482 20 0 FGADHM C[C@@H]1CCC[C@H](NC(=O)c2c(Cl)cc(-c3nn[n-]n3)cc2Cl)C1 ZINC000824927104 607833084 /nfs/dbraw/zinc/83/30/84/607833084.db2.gz MPASKHPUSZCDQX-SCZZXKLOSA-N -1 3 354.241 3.482 20 0 FGADHM C[C@H](CCC1CCCCC1)NC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000735986313 599007866 /nfs/dbraw/zinc/00/78/66/599007866.db2.gz REOLMSKVYLKGNW-HUUCEWRRSA-N -1 3 371.485 3.499 20 0 FGADHM C[C@H](CCC1CCCCC1)NC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000735986313 599007869 /nfs/dbraw/zinc/00/78/69/599007869.db2.gz REOLMSKVYLKGNW-HUUCEWRRSA-N -1 3 371.485 3.499 20 0 FGADHM CN(Cc1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1)C(=O)OC(C)(C)C ZINC000736830911 599009857 /nfs/dbraw/zinc/00/98/57/599009857.db2.gz DIVYJUHDOMOEBJ-UHFFFAOYSA-N -1 3 372.454 3.357 20 0 FGADHM CN(Cc1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1)C(=O)OC(C)(C)C ZINC000736830911 599009859 /nfs/dbraw/zinc/00/98/59/599009859.db2.gz DIVYJUHDOMOEBJ-UHFFFAOYSA-N -1 3 372.454 3.357 20 0 FGADHM CC[C@@H](NC(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1cc(F)ccc1F ZINC000736361667 599011890 /nfs/dbraw/zinc/01/18/90/599011890.db2.gz HGZSLPKOFXPYHL-OAHLLOKOSA-N -1 3 358.352 3.418 20 0 FGADHM CC[C@@H](NC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1cc(F)ccc1F ZINC000736361667 599011892 /nfs/dbraw/zinc/01/18/92/599011892.db2.gz HGZSLPKOFXPYHL-OAHLLOKOSA-N -1 3 358.352 3.418 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H]1CCC[C@H](CC)C1 ZINC000736633791 599020612 /nfs/dbraw/zinc/02/06/12/599020612.db2.gz FHIYIYWRBKTLLK-GXTWGEPZSA-N -1 3 358.446 3.356 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@H]1CCC[C@H](CC)C1 ZINC000736633791 599020615 /nfs/dbraw/zinc/02/06/15/599020615.db2.gz FHIYIYWRBKTLLK-GXTWGEPZSA-N -1 3 358.446 3.356 20 0 FGADHM C[C@@H]1CN(c2ccc(F)cc2-c2nnn[n-]2)C[C@H](c2ccc(F)cc2)O1 ZINC000820774388 599039285 /nfs/dbraw/zinc/03/92/85/599039285.db2.gz BSBSXXVJYRYFFI-PIGZYNQJSA-N -1 3 357.364 3.111 20 0 FGADHM C[C@@H]1CN(c2ccc(F)cc2-c2nn[n-]n2)C[C@H](c2ccc(F)cc2)O1 ZINC000820774388 599039288 /nfs/dbraw/zinc/03/92/88/599039288.db2.gz BSBSXXVJYRYFFI-PIGZYNQJSA-N -1 3 357.364 3.111 20 0 FGADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(SCCOc2ccccc2)n1 ZINC000737634974 599040034 /nfs/dbraw/zinc/04/00/34/599040034.db2.gz CBLXRPONYRFQMM-UHFFFAOYSA-N -1 3 367.356 3.452 20 0 FGADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(SCCOc2ccccc2)n1 ZINC000737634974 599040037 /nfs/dbraw/zinc/04/00/37/599040037.db2.gz CBLXRPONYRFQMM-UHFFFAOYSA-N -1 3 367.356 3.452 20 0 FGADHM CO[C@H](CNc1nc(C)cc(C)c1-c1nnn[n-]1)c1ccc(Cl)cc1 ZINC000821678156 599046541 /nfs/dbraw/zinc/04/65/41/599046541.db2.gz KKHRUGRZKQNSRO-CQSZACIVSA-N -1 3 358.833 3.332 20 0 FGADHM CO[C@H](CNc1nc(C)cc(C)c1-c1nn[n-]n1)c1ccc(Cl)cc1 ZINC000821678156 599046544 /nfs/dbraw/zinc/04/65/44/599046544.db2.gz KKHRUGRZKQNSRO-CQSZACIVSA-N -1 3 358.833 3.332 20 0 FGADHM Clc1cc(-c2nnn[n-]2)cnc1N[C@H](c1ccccc1)C1CCOCC1 ZINC000737559379 599061963 /nfs/dbraw/zinc/06/19/63/599061963.db2.gz VFQJXBDOXFWVLO-MRXNPFEDSA-N -1 3 370.844 3.495 20 0 FGADHM Clc1cc(-c2nn[n-]n2)cnc1N[C@H](c1ccccc1)C1CCOCC1 ZINC000737559379 599061966 /nfs/dbraw/zinc/06/19/66/599061966.db2.gz VFQJXBDOXFWVLO-MRXNPFEDSA-N -1 3 370.844 3.495 20 0 FGADHM O=C(NC1CC1)[C@@H](Sc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000738019739 599064670 /nfs/dbraw/zinc/06/46/70/599064670.db2.gz LZRABCQOCKXKHX-INIZCTEOSA-N -1 3 369.425 3.118 20 0 FGADHM O=C(NC1CC1)[C@@H](Sc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000738019739 599064673 /nfs/dbraw/zinc/06/46/73/599064673.db2.gz LZRABCQOCKXKHX-INIZCTEOSA-N -1 3 369.425 3.118 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000736633475 599070436 /nfs/dbraw/zinc/07/04/36/599070436.db2.gz BRSSZHSGWGDQSL-CABCVRRESA-N -1 3 355.442 3.420 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000736633475 599070438 /nfs/dbraw/zinc/07/04/38/599070438.db2.gz BRSSZHSGWGDQSL-CABCVRRESA-N -1 3 355.442 3.420 20 0 FGADHM CCO[C@@H](C)c1nc(CN(C)c2ccc(-c3nn[n-]n3)cc2F)cs1 ZINC000821347671 599071904 /nfs/dbraw/zinc/07/19/04/599071904.db2.gz ZLMRHMXRCPXCTM-JTQLQIEISA-N -1 3 362.434 3.196 20 0 FGADHM CCC(=CC(=O)NCc1ccc(-c2nnn[n-]2)cc1F)c1ccc(C)cc1 ZINC000736303014 599075656 /nfs/dbraw/zinc/07/56/56/599075656.db2.gz GPVUAZUNWOBESR-SDNWHVSQSA-N -1 3 365.412 3.424 20 0 FGADHM CCC(=CC(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1ccc(C)cc1 ZINC000736303014 599075662 /nfs/dbraw/zinc/07/56/62/599075662.db2.gz GPVUAZUNWOBESR-SDNWHVSQSA-N -1 3 365.412 3.424 20 0 FGADHM Cc1ccc([C@H](C)N[C@@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)o1 ZINC000737321339 599078620 /nfs/dbraw/zinc/07/86/20/599078620.db2.gz UFYSEPRCAONGMC-QWRGUYRKSA-N -1 3 374.832 3.099 20 0 FGADHM Cc1ccc([C@H](C)N[C@@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)o1 ZINC000737321339 599078623 /nfs/dbraw/zinc/07/86/23/599078623.db2.gz UFYSEPRCAONGMC-QWRGUYRKSA-N -1 3 374.832 3.099 20 0 FGADHM CCc1ccc([C@@H]2CCCCN2C(=O)c2sccc2-c2nnn[n-]2)o1 ZINC000736685502 599085333 /nfs/dbraw/zinc/08/53/33/599085333.db2.gz MEDPOMUXHMXBRJ-ZDUSSCGKSA-N -1 3 357.439 3.451 20 0 FGADHM CCc1ccc([C@@H]2CCCCN2C(=O)c2sccc2-c2nn[n-]n2)o1 ZINC000736685502 599085336 /nfs/dbraw/zinc/08/53/36/599085336.db2.gz MEDPOMUXHMXBRJ-ZDUSSCGKSA-N -1 3 357.439 3.451 20 0 FGADHM Cc1ccc(Oc2ccc(NC(=O)c3ccc(-c4nnn[n-]4)cc3)cc2)nn1 ZINC000737366572 599087867 /nfs/dbraw/zinc/08/78/67/599087867.db2.gz SYNRQWAAUMFESD-UHFFFAOYSA-N -1 3 373.376 3.010 20 0 FGADHM Cc1ccc(Oc2ccc(NC(=O)c3ccc(-c4nn[n-]n4)cc3)cc2)nn1 ZINC000737366572 599087868 /nfs/dbraw/zinc/08/78/68/599087868.db2.gz SYNRQWAAUMFESD-UHFFFAOYSA-N -1 3 373.376 3.010 20 0 FGADHM C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1C(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736236019 599090943 /nfs/dbraw/zinc/09/09/43/599090943.db2.gz QPZAMFULAIDMKE-CLCXKQKWSA-N -1 3 361.449 3.202 20 0 FGADHM C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1C(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736236019 599090945 /nfs/dbraw/zinc/09/09/45/599090945.db2.gz QPZAMFULAIDMKE-CLCXKQKWSA-N -1 3 361.449 3.202 20 0 FGADHM CCO[C@@H]1C[C@@H](N(C)C(=O)c2ccc(-c3nnn[n-]3)cc2)C12CCCCC2 ZINC000736614609 599096950 /nfs/dbraw/zinc/09/69/50/599096950.db2.gz HLMIZKAGFRBBOB-IAGOWNOFSA-N -1 3 369.469 3.067 20 0 FGADHM CCO[C@@H]1C[C@@H](N(C)C(=O)c2ccc(-c3nn[n-]n3)cc2)C12CCCCC2 ZINC000736614609 599096951 /nfs/dbraw/zinc/09/69/51/599096951.db2.gz HLMIZKAGFRBBOB-IAGOWNOFSA-N -1 3 369.469 3.067 20 0 FGADHM CCN(C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1)[C@H](C)c1cccnc1 ZINC000736506089 599103946 /nfs/dbraw/zinc/10/39/46/599103946.db2.gz QVVGYUXXAWVDOW-ZIAGYGMSSA-N -1 3 365.441 3.115 20 0 FGADHM CCN(C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1)[C@H](C)c1cccnc1 ZINC000736506089 599103947 /nfs/dbraw/zinc/10/39/47/599103947.db2.gz QVVGYUXXAWVDOW-ZIAGYGMSSA-N -1 3 365.441 3.115 20 0 FGADHM CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2ccccc2-c2nnn[n-]2)c1C ZINC000735498303 599107175 /nfs/dbraw/zinc/10/71/75/599107175.db2.gz XYIRWCWBENMREX-GFCCVEGCSA-N -1 3 369.450 3.378 20 0 FGADHM CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2ccccc2-c2nn[n-]n2)c1C ZINC000735498303 599107178 /nfs/dbraw/zinc/10/71/78/599107178.db2.gz XYIRWCWBENMREX-GFCCVEGCSA-N -1 3 369.450 3.378 20 0 FGADHM CN(Cc1ncc(-c2ccccc2F)o1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736823307 599131523 /nfs/dbraw/zinc/13/15/23/599131523.db2.gz VSGHWUWTAUMTPY-UHFFFAOYSA-N -1 3 364.384 3.293 20 0 FGADHM CN(Cc1ncc(-c2ccccc2F)o1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736823307 599131526 /nfs/dbraw/zinc/13/15/26/599131526.db2.gz VSGHWUWTAUMTPY-UHFFFAOYSA-N -1 3 364.384 3.293 20 0 FGADHM CCCOC(=O)[C@@H](C)Sc1nc(-c2ccccc2)ccc1-c1nnn[n-]1 ZINC000821127828 599127098 /nfs/dbraw/zinc/12/70/98/599127098.db2.gz LOONKECTAWWTDW-GFCCVEGCSA-N -1 3 369.450 3.363 20 0 FGADHM CCCOC(=O)[C@@H](C)Sc1nc(-c2ccccc2)ccc1-c1nn[n-]n1 ZINC000821127828 599127101 /nfs/dbraw/zinc/12/71/01/599127101.db2.gz LOONKECTAWWTDW-GFCCVEGCSA-N -1 3 369.450 3.363 20 0 FGADHM CCN(C(=O)Cc1cc(F)ccc1F)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821154755 599143485 /nfs/dbraw/zinc/14/34/85/599143485.db2.gz QYTMOFFYAHSKOW-LBPRGKRZSA-N -1 3 371.391 3.297 20 0 FGADHM CCN(C(=O)Cc1cc(F)ccc1F)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821154755 599143488 /nfs/dbraw/zinc/14/34/88/599143488.db2.gz QYTMOFFYAHSKOW-LBPRGKRZSA-N -1 3 371.391 3.297 20 0 FGADHM Cc1nn(-c2ccccc2)c(COC(=O)[C@@H](C)C(C)(C)C)c1-c1nnn[n-]1 ZINC000737503240 599146293 /nfs/dbraw/zinc/14/62/93/599146293.db2.gz FIIKZGCHGOWBIE-GFCCVEGCSA-N -1 3 368.441 3.086 20 0 FGADHM CC(C)CCc1nc(COC(=O)c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000735818268 599149960 /nfs/dbraw/zinc/14/99/60/599149960.db2.gz LAUBDTMKSPSLET-UHFFFAOYSA-N -1 3 357.439 3.269 20 0 FGADHM CC(C)CCc1nc(COC(=O)c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000735818268 599149965 /nfs/dbraw/zinc/14/99/65/599149965.db2.gz LAUBDTMKSPSLET-UHFFFAOYSA-N -1 3 357.439 3.269 20 0 FGADHM C/C(=C/C(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1)C(C)(C)C ZINC000819766472 599150418 /nfs/dbraw/zinc/15/04/18/599150418.db2.gz ZHNADPHHLVDFHO-YPKPFQOOSA-N -1 3 369.469 3.229 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000738163129 599161641 /nfs/dbraw/zinc/16/16/41/599161641.db2.gz OQHRORGKGDHDIM-NXEZZACHSA-N -1 3 359.311 3.026 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000738163129 599161642 /nfs/dbraw/zinc/16/16/42/599161642.db2.gz OQHRORGKGDHDIM-NXEZZACHSA-N -1 3 359.311 3.026 20 0 FGADHM Fc1ccc(SCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)c(F)c1 ZINC000737657054 599163107 /nfs/dbraw/zinc/16/31/07/599163107.db2.gz TYTDPIZNUQRNPP-UHFFFAOYSA-N -1 3 372.360 3.487 20 0 FGADHM Fc1ccc(SCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)c(F)c1 ZINC000737657054 599163109 /nfs/dbraw/zinc/16/31/09/599163109.db2.gz TYTDPIZNUQRNPP-UHFFFAOYSA-N -1 3 372.360 3.487 20 0 FGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1F)Nc1ccc(Cl)cc1 ZINC000737948269 599170495 /nfs/dbraw/zinc/17/04/95/599170495.db2.gz RNDYOFJQZKUYHY-UHFFFAOYSA-N -1 3 363.805 3.390 20 0 FGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1F)Nc1ccc(Cl)cc1 ZINC000737948269 599170496 /nfs/dbraw/zinc/17/04/96/599170496.db2.gz RNDYOFJQZKUYHY-UHFFFAOYSA-N -1 3 363.805 3.390 20 0 FGADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)c1cc2cc(Cl)ccc2[nH]1 ZINC000823241810 599178100 /nfs/dbraw/zinc/17/81/00/599178100.db2.gz GUSTYHHNRMFCIS-UHFFFAOYSA-N -1 3 370.775 3.071 20 0 FGADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)c1cc2cc(Cl)ccc2[nH]1 ZINC000823241810 599178103 /nfs/dbraw/zinc/17/81/03/599178103.db2.gz GUSTYHHNRMFCIS-UHFFFAOYSA-N -1 3 370.775 3.071 20 0 FGADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)c1cc2ccc(F)cc2s1 ZINC000823241786 599178114 /nfs/dbraw/zinc/17/81/14/599178114.db2.gz GEIQMXABDGMBKE-UHFFFAOYSA-N -1 3 371.372 3.290 20 0 FGADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)c1cc2ccc(F)cc2s1 ZINC000823241786 599178117 /nfs/dbraw/zinc/17/81/17/599178117.db2.gz GEIQMXABDGMBKE-UHFFFAOYSA-N -1 3 371.372 3.290 20 0 FGADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCCC2)[C@H]1Cc2ccccc21 ZINC000738211683 599178953 /nfs/dbraw/zinc/17/89/53/599178953.db2.gz SPEVOONVOLQVDA-AWEZNQCLSA-N -1 3 365.462 3.476 20 0 FGADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCCC2)[C@H]1Cc2ccccc21 ZINC000738211683 599178955 /nfs/dbraw/zinc/17/89/55/599178955.db2.gz SPEVOONVOLQVDA-AWEZNQCLSA-N -1 3 365.462 3.476 20 0 FGADHM C[C@@H](NC(=O)c1cc2cccc(F)c2o1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736116489 599181838 /nfs/dbraw/zinc/18/18/38/599181838.db2.gz ATRJXZTVQYTXIZ-SNVBAGLBSA-N -1 3 351.341 3.243 20 0 FGADHM C[C@@H](NC(=O)c1cc2cccc(F)c2o1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736116489 599181841 /nfs/dbraw/zinc/18/18/41/599181841.db2.gz ATRJXZTVQYTXIZ-SNVBAGLBSA-N -1 3 351.341 3.243 20 0 FGADHM C[C@H](C(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1)c1cccc(Cl)c1 ZINC000735512666 599182013 /nfs/dbraw/zinc/18/20/13/599182013.db2.gz IJZAJACSZWBXAP-LBPRGKRZSA-N -1 3 355.829 3.282 20 0 FGADHM C[C@H](C(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1)c1cccc(Cl)c1 ZINC000735512666 599182014 /nfs/dbraw/zinc/18/20/14/599182014.db2.gz IJZAJACSZWBXAP-LBPRGKRZSA-N -1 3 355.829 3.282 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CCC[C@H]1c1ccco1 ZINC000738151202 599189539 /nfs/dbraw/zinc/18/95/39/599189539.db2.gz GXYMHWAQUPKFQB-ZDUSSCGKSA-N -1 3 358.789 3.482 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CCC[C@H]1c1ccco1 ZINC000738151202 599189542 /nfs/dbraw/zinc/18/95/42/599189542.db2.gz GXYMHWAQUPKFQB-ZDUSSCGKSA-N -1 3 358.789 3.482 20 0 FGADHM C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820667014 599189760 /nfs/dbraw/zinc/18/97/60/599189760.db2.gz KOKUTWDXDGSSKC-SJKOYZFVSA-N -1 3 351.385 3.229 20 0 FGADHM C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820667014 599189763 /nfs/dbraw/zinc/18/97/63/599189763.db2.gz KOKUTWDXDGSSKC-SJKOYZFVSA-N -1 3 351.385 3.229 20 0 FGADHM C[C@H](NC(=O)N1CCCC[C@@H]1c1ccco1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736110444 599189782 /nfs/dbraw/zinc/18/97/82/599189782.db2.gz BMDKZDVXMBBXHD-XJKSGUPXSA-N -1 3 366.425 3.458 20 0 FGADHM C[C@H](NC(=O)N1CCCC[C@@H]1c1ccco1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736110444 599189785 /nfs/dbraw/zinc/18/97/85/599189785.db2.gz BMDKZDVXMBBXHD-XJKSGUPXSA-N -1 3 366.425 3.458 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H]1CCSc2ccccc21 ZINC000737057083 599187204 /nfs/dbraw/zinc/18/72/04/599187204.db2.gz GPLIWXBCRUPMPK-CYBMUJFWSA-N -1 3 367.434 3.093 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1CCSc2ccccc21 ZINC000737057083 599187206 /nfs/dbraw/zinc/18/72/06/599187206.db2.gz GPLIWXBCRUPMPK-CYBMUJFWSA-N -1 3 367.434 3.093 20 0 FGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)NC1(C)CCCCC1 ZINC000735905120 599187593 /nfs/dbraw/zinc/18/75/93/599187593.db2.gz FBYSCRRSFUQOSA-UHFFFAOYSA-N -1 3 358.446 3.498 20 0 FGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)NC1(C)CCCCC1 ZINC000735905120 599187595 /nfs/dbraw/zinc/18/75/95/599187595.db2.gz FBYSCRRSFUQOSA-UHFFFAOYSA-N -1 3 358.446 3.498 20 0 FGADHM O=C(OCc1cc(-c2nnn[n-]2)ccc1F)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000738236895 599187600 /nfs/dbraw/zinc/18/76/00/599187600.db2.gz UJGRKRZKXJFWPS-RYUDHWBXSA-N -1 3 374.322 3.131 20 0 FGADHM O=C(OCc1cc(-c2nn[n-]n2)ccc1F)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000738236895 599187603 /nfs/dbraw/zinc/18/76/03/599187603.db2.gz UJGRKRZKXJFWPS-RYUDHWBXSA-N -1 3 374.322 3.131 20 0 FGADHM C[C@H]1C[C@H](c2ccccc2F)N(C(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820667017 599190118 /nfs/dbraw/zinc/19/01/18/599190118.db2.gz KOKUTWDXDGSSKC-YVEFUNNKSA-N -1 3 351.385 3.229 20 0 FGADHM C[C@H]1C[C@H](c2ccccc2F)N(C(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820667017 599190121 /nfs/dbraw/zinc/19/01/21/599190121.db2.gz KOKUTWDXDGSSKC-YVEFUNNKSA-N -1 3 351.385 3.229 20 0 FGADHM C[C@H](COC(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000736038487 599215617 /nfs/dbraw/zinc/21/56/17/599215617.db2.gz VNKQEDHZTKSODB-CYBMUJFWSA-N -1 3 354.435 3.306 20 0 FGADHM C[C@H](COC(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000736038487 599215620 /nfs/dbraw/zinc/21/56/20/599215620.db2.gz VNKQEDHZTKSODB-CYBMUJFWSA-N -1 3 354.435 3.306 20 0 FGADHM COC[C@H](C)C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000821681941 599220919 /nfs/dbraw/zinc/22/09/19/599220919.db2.gz WDLBFBCHFCMKEQ-NSHDSACASA-N -1 3 371.372 3.019 20 0 FGADHM COC[C@H](C)C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000821681941 599220920 /nfs/dbraw/zinc/22/09/20/599220920.db2.gz WDLBFBCHFCMKEQ-NSHDSACASA-N -1 3 371.372 3.019 20 0 FGADHM Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)Cc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000822234015 599221473 /nfs/dbraw/zinc/22/14/73/599221473.db2.gz ZTPSBQGTZLUNRB-SUMWQHHRSA-N -1 3 365.437 3.310 20 0 FGADHM Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)Cc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822234015 599221475 /nfs/dbraw/zinc/22/14/75/599221475.db2.gz ZTPSBQGTZLUNRB-SUMWQHHRSA-N -1 3 365.437 3.310 20 0 FGADHM CC(C)Oc1ccc(OC(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000735912934 599223567 /nfs/dbraw/zinc/22/35/67/599223567.db2.gz JVROAMXQERUFQJ-ZDUSSCGKSA-N -1 3 368.393 3.027 20 0 FGADHM CC(C)Oc1ccc(OC(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000735912934 599223570 /nfs/dbraw/zinc/22/35/70/599223570.db2.gz JVROAMXQERUFQJ-ZDUSSCGKSA-N -1 3 368.393 3.027 20 0 FGADHM Fc1cccc([C@H]2CCN2C(=S)Nc2ccccc2-c2nnn[n-]2)c1 ZINC000822787370 599229540 /nfs/dbraw/zinc/22/95/40/599229540.db2.gz ZZPNBBSUPRSOFX-OAHLLOKOSA-N -1 3 354.414 3.150 20 0 FGADHM Fc1cccc([C@H]2CCN2C(=S)Nc2ccccc2-c2nn[n-]n2)c1 ZINC000822787370 599229542 /nfs/dbraw/zinc/22/95/42/599229542.db2.gz ZZPNBBSUPRSOFX-OAHLLOKOSA-N -1 3 354.414 3.150 20 0 FGADHM C[C@H](OC(=O)C=Cc1ccnc(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820488756 607263508 /nfs/dbraw/zinc/26/35/08/607263508.db2.gz TWVPOFDCKFCPQD-JNWMYZIBSA-N -1 3 355.785 3.233 20 0 FGADHM C[C@H](OC(=O)C=Cc1ccnc(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820488756 607263509 /nfs/dbraw/zinc/26/35/09/607263509.db2.gz TWVPOFDCKFCPQD-JNWMYZIBSA-N -1 3 355.785 3.233 20 0 FGADHM Cc1c(NC(=O)CCCOc2cccc(F)c2)cccc1-c1nnn[n-]1 ZINC000822065890 607267021 /nfs/dbraw/zinc/26/70/21/607267021.db2.gz BQNUKNJOFHTQGA-UHFFFAOYSA-N -1 3 355.373 3.112 20 0 FGADHM Cc1c(NC(=O)CCCOc2cccc(F)c2)cccc1-c1nn[n-]n1 ZINC000822065890 607267022 /nfs/dbraw/zinc/26/70/22/607267022.db2.gz BQNUKNJOFHTQGA-UHFFFAOYSA-N -1 3 355.373 3.112 20 0 FGADHM Cc1c(NC(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)cccc1-c1nnn[n-]1 ZINC000822060724 607267094 /nfs/dbraw/zinc/26/70/94/607267094.db2.gz IGHDHDYQUILLTL-TZMCWYRMSA-N -1 3 355.348 3.196 20 0 FGADHM Cc1c(NC(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)cccc1-c1nn[n-]n1 ZINC000822060724 607267095 /nfs/dbraw/zinc/26/70/95/607267095.db2.gz IGHDHDYQUILLTL-TZMCWYRMSA-N -1 3 355.348 3.196 20 0 FGADHM Cc1c(NC(=O)c2cc(-c3cccs3)on2)cccc1-c1nnn[n-]1 ZINC000822105849 607267216 /nfs/dbraw/zinc/26/72/16/607267216.db2.gz XLINMYVPUDGTPX-UHFFFAOYSA-N -1 3 352.379 3.144 20 0 FGADHM Cc1c(NC(=O)c2cc(-c3cccs3)on2)cccc1-c1nn[n-]n1 ZINC000822105849 607267217 /nfs/dbraw/zinc/26/72/17/607267217.db2.gz XLINMYVPUDGTPX-UHFFFAOYSA-N -1 3 352.379 3.144 20 0 FGADHM Cc1c(NC(=O)CCCOc2ccc(F)cc2F)cccc1-c1nnn[n-]1 ZINC000822067968 607267231 /nfs/dbraw/zinc/26/72/31/607267231.db2.gz LUPZFWZYANIUMX-UHFFFAOYSA-N -1 3 373.363 3.251 20 0 FGADHM Cc1c(NC(=O)CCCOc2ccc(F)cc2F)cccc1-c1nn[n-]n1 ZINC000822067968 607267232 /nfs/dbraw/zinc/26/72/32/607267232.db2.gz LUPZFWZYANIUMX-UHFFFAOYSA-N -1 3 373.363 3.251 20 0 FGADHM Cc1nc(C(F)(F)F)ccc1C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000822427241 607270273 /nfs/dbraw/zinc/27/02/73/607270273.db2.gz GATZYHXFZMWCGL-UHFFFAOYSA-N -1 3 362.315 3.150 20 0 FGADHM Cc1nc(C(F)(F)F)ccc1C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000822427241 607270274 /nfs/dbraw/zinc/27/02/74/607270274.db2.gz GATZYHXFZMWCGL-UHFFFAOYSA-N -1 3 362.315 3.150 20 0 FGADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)NC1CC(c2cccc(Cl)c2)C1 ZINC000737961179 599244352 /nfs/dbraw/zinc/24/43/52/599244352.db2.gz MABSXWSAAPSLBJ-UHFFFAOYSA-N -1 3 367.840 3.125 20 0 FGADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)NC1CC(c2cccc(Cl)c2)C1 ZINC000737961179 599244355 /nfs/dbraw/zinc/24/43/55/599244355.db2.gz MABSXWSAAPSLBJ-UHFFFAOYSA-N -1 3 367.840 3.125 20 0 FGADHM CC(C)c1cccnc1NC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000824352357 607777749 /nfs/dbraw/zinc/77/77/49/607777749.db2.gz AWEJFIDRYNIDMA-UHFFFAOYSA-N -1 3 368.466 3.257 20 0 FGADHM CC(C)c1cccnc1NC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000824352357 607777750 /nfs/dbraw/zinc/77/77/50/607777750.db2.gz AWEJFIDRYNIDMA-UHFFFAOYSA-N -1 3 368.466 3.257 20 0 FGADHM O=C([O-])Cc1cccc(NC(=O)N2CCN(CC3CCCCC3)CC2)c1 ZINC000738624716 597183256 /nfs/dbraw/zinc/18/32/56/597183256.db2.gz RPQKXBLHKHARQI-UHFFFAOYSA-N -1 3 359.470 3.044 20 0 FGADHM CCOc1ccccc1NC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821436687 599247315 /nfs/dbraw/zinc/24/73/15/599247315.db2.gz FFZUVFQJNJVYLQ-GFCCVEGCSA-N -1 3 352.398 3.148 20 0 FGADHM CCOc1ccccc1NC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821436687 599247317 /nfs/dbraw/zinc/24/73/17/599247317.db2.gz FFZUVFQJNJVYLQ-GFCCVEGCSA-N -1 3 352.398 3.148 20 0 FGADHM CC(C)[C@H]1CN(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CCS1 ZINC000820047321 599248908 /nfs/dbraw/zinc/24/89/08/599248908.db2.gz XGDVTTVNMJDUSY-CYBMUJFWSA-N -1 3 366.878 3.125 20 0 FGADHM CC(C)[C@H]1CN(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CCS1 ZINC000820047321 599248910 /nfs/dbraw/zinc/24/89/10/599248910.db2.gz XGDVTTVNMJDUSY-CYBMUJFWSA-N -1 3 366.878 3.125 20 0 FGADHM Cc1c(NC(=O)N(C[C@H]2CCCO2)C2CCCC2)cccc1-c1nnn[n-]1 ZINC000822076710 607280308 /nfs/dbraw/zinc/28/03/08/607280308.db2.gz QYSUJWNDLDHQME-OAHLLOKOSA-N -1 3 370.457 3.131 20 0 FGADHM Cc1c(NC(=O)N(C[C@H]2CCCO2)C2CCCC2)cccc1-c1nn[n-]n1 ZINC000822076710 607280309 /nfs/dbraw/zinc/28/03/09/607280309.db2.gz QYSUJWNDLDHQME-OAHLLOKOSA-N -1 3 370.457 3.131 20 0 FGADHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(N(C)CCc3ccccn3)c2c1 ZINC000737247928 599253209 /nfs/dbraw/zinc/25/32/09/599253209.db2.gz AGYWIGPGZDOYOR-UHFFFAOYSA-N -1 3 359.437 3.106 20 0 FGADHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(N(C)CCc3ccccn3)c2c1 ZINC000737247928 599253212 /nfs/dbraw/zinc/25/32/12/599253212.db2.gz AGYWIGPGZDOYOR-UHFFFAOYSA-N -1 3 359.437 3.106 20 0 FGADHM CC(C)Oc1ccccc1NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000820178726 599254282 /nfs/dbraw/zinc/25/42/82/599254282.db2.gz ZFDHPIFEDBPREW-UHFFFAOYSA-N -1 3 370.388 3.115 20 0 FGADHM CC(C)Oc1ccccc1NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000820178726 599254284 /nfs/dbraw/zinc/25/42/84/599254284.db2.gz ZFDHPIFEDBPREW-UHFFFAOYSA-N -1 3 370.388 3.115 20 0 FGADHM Cc1ccc([C@@H](CNC(=O)Nc2ccccc2CC(=O)[O-])N(C)C)cc1 ZINC000818879047 597340532 /nfs/dbraw/zinc/34/05/32/597340532.db2.gz JSICYXDYKPGHOU-GOSISDBHSA-N -1 3 355.438 3.047 20 0 FGADHM Cc1cnc([C@@H](NC(=O)Nc2cccc(-c3nnn[n-]3)c2C)C2CC2)s1 ZINC000822389536 607284406 /nfs/dbraw/zinc/28/44/06/607284406.db2.gz ZSMRFPWDKRPCFS-AWEZNQCLSA-N -1 3 369.454 3.213 20 0 FGADHM Cc1cnc([C@@H](NC(=O)Nc2cccc(-c3nn[n-]n3)c2C)C2CC2)s1 ZINC000822389536 607284407 /nfs/dbraw/zinc/28/44/07/607284407.db2.gz ZSMRFPWDKRPCFS-AWEZNQCLSA-N -1 3 369.454 3.213 20 0 FGADHM COc1cc(C)ccc1NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821713309 599258483 /nfs/dbraw/zinc/25/84/83/599258483.db2.gz UMDMVFGQLKFWRT-LBPRGKRZSA-N -1 3 352.398 3.066 20 0 FGADHM COc1cc(C)ccc1NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821713309 599258484 /nfs/dbraw/zinc/25/84/84/599258484.db2.gz UMDMVFGQLKFWRT-LBPRGKRZSA-N -1 3 352.398 3.066 20 0 FGADHM Cc1cc(Br)oc1C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000822161939 607295270 /nfs/dbraw/zinc/29/52/70/607295270.db2.gz VLIOJICEYYQFIE-UHFFFAOYSA-N -1 3 362.187 3.091 20 0 FGADHM Cc1cc(Br)oc1C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000822161939 607295271 /nfs/dbraw/zinc/29/52/71/607295271.db2.gz VLIOJICEYYQFIE-UHFFFAOYSA-N -1 3 362.187 3.091 20 0 FGADHM Cc1c(NC(=O)[C@@H]2CCSc3ccccc32)cccc1-c1nnn[n-]1 ZINC000822067886 607296576 /nfs/dbraw/zinc/29/65/76/607296576.db2.gz LJNHNJGTEUCIFP-CQSZACIVSA-N -1 3 351.435 3.393 20 0 FGADHM Cc1c(NC(=O)[C@@H]2CCSc3ccccc32)cccc1-c1nn[n-]n1 ZINC000822067886 607296577 /nfs/dbraw/zinc/29/65/77/607296577.db2.gz LJNHNJGTEUCIFP-CQSZACIVSA-N -1 3 351.435 3.393 20 0 FGADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2ccnn2C(CC)CC)s1 ZINC000821465116 607311589 /nfs/dbraw/zinc/31/15/89/607311589.db2.gz BPHVFKLLYNVIKW-UHFFFAOYSA-N -1 3 359.459 3.301 20 0 FGADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2ccnn2C(CC)CC)s1 ZINC000821465116 607311590 /nfs/dbraw/zinc/31/15/90/607311590.db2.gz BPHVFKLLYNVIKW-UHFFFAOYSA-N -1 3 359.459 3.301 20 0 FGADHM CN(C)c1cccc([C@@H]2CCCN2c2cccc(F)c2-c2nnn[n-]2)c1 ZINC000736778801 599266723 /nfs/dbraw/zinc/26/67/23/599266723.db2.gz FVORJDWVAHHLRP-INIZCTEOSA-N -1 3 352.417 3.413 20 0 FGADHM CN(C)c1cccc([C@@H]2CCCN2c2cccc(F)c2-c2nn[n-]n2)c1 ZINC000736778801 599266725 /nfs/dbraw/zinc/26/67/25/599266725.db2.gz FVORJDWVAHHLRP-INIZCTEOSA-N -1 3 352.417 3.413 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000821407946 599267364 /nfs/dbraw/zinc/26/73/64/599267364.db2.gz YJPCNPOVTPJCRB-GZBFAFLISA-N -1 3 370.457 3.356 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000821407946 599267365 /nfs/dbraw/zinc/26/73/65/599267365.db2.gz YJPCNPOVTPJCRB-GZBFAFLISA-N -1 3 370.457 3.356 20 0 FGADHM FC(F)Oc1ccccc1Cn1ccc(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000737639626 599269470 /nfs/dbraw/zinc/26/94/70/599269470.db2.gz UJBNDZHXABNHPF-UHFFFAOYSA-N -1 3 368.347 3.380 20 0 FGADHM FC(F)Oc1ccccc1Cn1ccc(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737639626 599269472 /nfs/dbraw/zinc/26/94/72/599269472.db2.gz UJBNDZHXABNHPF-UHFFFAOYSA-N -1 3 368.347 3.380 20 0 FGADHM Cc1coc(-c2cccc(NCc3cnc4ccc(-c5nnn[n-]5)cn34)c2)n1 ZINC000822403449 607318628 /nfs/dbraw/zinc/31/86/28/607318628.db2.gz OILWBVMFZBMPJV-UHFFFAOYSA-N -1 3 372.392 3.090 20 0 FGADHM Cc1coc(-c2cccc(NCc3cnc4ccc(-c5nn[n-]n5)cn34)c2)n1 ZINC000822403449 607318629 /nfs/dbraw/zinc/31/86/29/607318629.db2.gz OILWBVMFZBMPJV-UHFFFAOYSA-N -1 3 372.392 3.090 20 0 FGADHM O=C([O-])CCCCN1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000738570735 597793377 /nfs/dbraw/zinc/79/33/77/597793377.db2.gz KZCLHENTSUYDTR-UHFFFAOYSA-N -1 3 353.850 3.135 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)COc1ccc(C)cc1 ZINC000736489379 599278280 /nfs/dbraw/zinc/27/82/80/599278280.db2.gz ZAAOGZQBKOERRR-UHFFFAOYSA-N -1 3 366.425 3.015 20 0 FGADHM COc1cccc(F)c1[C@H](C)NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000821873110 599279497 /nfs/dbraw/zinc/27/94/97/599279497.db2.gz ROXITMFDLUENIO-VIFPVBQESA-N -1 3 374.351 3.036 20 0 FGADHM COc1cccc(F)c1[C@H](C)NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821873110 599279500 /nfs/dbraw/zinc/27/95/00/599279500.db2.gz ROXITMFDLUENIO-VIFPVBQESA-N -1 3 374.351 3.036 20 0 FGADHM CCc1nnc(-c2ccc(NCc3cc(-c4nnn[n-]4)cs3)cc2)o1 ZINC000821516793 607318428 /nfs/dbraw/zinc/31/84/28/607318428.db2.gz CAQIKYDHYRUGAV-UHFFFAOYSA-N -1 3 353.411 3.153 20 0 FGADHM CCc1nnc(-c2ccc(NCc3cc(-c4nn[n-]n4)cs3)cc2)o1 ZINC000821516793 607318429 /nfs/dbraw/zinc/31/84/29/607318429.db2.gz CAQIKYDHYRUGAV-UHFFFAOYSA-N -1 3 353.411 3.153 20 0 FGADHM C[C@H](OC(=O)C[C@@H]1CCOc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000736150487 599281931 /nfs/dbraw/zinc/28/19/31/599281931.db2.gz OCAWYBGHGBZMNG-ZFWWWQNUSA-N -1 3 364.405 3.427 20 0 FGADHM C[C@H](OC(=O)C[C@@H]1CCOc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000736150487 599281934 /nfs/dbraw/zinc/28/19/34/599281934.db2.gz OCAWYBGHGBZMNG-ZFWWWQNUSA-N -1 3 364.405 3.427 20 0 FGADHM CC(C)[C@H](Sc1ccc(-c2nnn[n-]2)cc1Cl)C(=O)N1CCCC1 ZINC000824207690 607844304 /nfs/dbraw/zinc/84/43/04/607844304.db2.gz ZLDAVYDUEJTHTJ-AWEZNQCLSA-N -1 3 365.890 3.259 20 0 FGADHM CC(C)[C@H](Sc1ccc(-c2nn[n-]n2)cc1Cl)C(=O)N1CCCC1 ZINC000824207690 607844305 /nfs/dbraw/zinc/84/43/05/607844305.db2.gz ZLDAVYDUEJTHTJ-AWEZNQCLSA-N -1 3 365.890 3.259 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)OCc1cc(-c2ccccc2)n[nH]1 ZINC000822936104 607323821 /nfs/dbraw/zinc/32/38/21/607323821.db2.gz RVUREAWBOBDKQF-ZHACJKMWSA-N -1 3 372.388 3.013 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)OCc1cc(-c2ccccc2)n[nH]1 ZINC000822936104 607323822 /nfs/dbraw/zinc/32/38/22/607323822.db2.gz RVUREAWBOBDKQF-ZHACJKMWSA-N -1 3 372.388 3.013 20 0 FGADHM CCC[C@](C)(O)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821007975 607323916 /nfs/dbraw/zinc/32/39/16/607323916.db2.gz FZUHYTOGLVUUKT-IBGZPJMESA-N -1 3 367.409 3.149 20 0 FGADHM CCC[C@](C)(O)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821007975 607323917 /nfs/dbraw/zinc/32/39/17/607323917.db2.gz FZUHYTOGLVUUKT-IBGZPJMESA-N -1 3 367.409 3.149 20 0 FGADHM CCCN(CC)c1ccc(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)cn1 ZINC000821094717 607325185 /nfs/dbraw/zinc/32/51/85/607325185.db2.gz OTKLRWNAEQQYOU-UHFFFAOYSA-N -1 3 365.441 3.059 20 0 FGADHM CCCN(CC)c1ccc(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)cn1 ZINC000821094717 607325186 /nfs/dbraw/zinc/32/51/86/607325186.db2.gz OTKLRWNAEQQYOU-UHFFFAOYSA-N -1 3 365.441 3.059 20 0 FGADHM O=C(COCC1CC1)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737915526 598232370 /nfs/dbraw/zinc/23/23/70/598232370.db2.gz CWWDXZDRPXQPAX-UHFFFAOYSA-N -1 3 365.393 3.024 20 0 FGADHM O=C(COCC1CC1)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737915526 598232371 /nfs/dbraw/zinc/23/23/71/598232371.db2.gz CWWDXZDRPXQPAX-UHFFFAOYSA-N -1 3 365.393 3.024 20 0 FGADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)N[C@H](c1ccc(F)cc1)C1CCC1 ZINC000737963223 598233111 /nfs/dbraw/zinc/23/31/11/598233111.db2.gz SRUPXYOKDUZLMY-IBGZPJMESA-N -1 3 365.412 3.206 20 0 FGADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)N[C@H](c1ccc(F)cc1)C1CCC1 ZINC000737963223 598233112 /nfs/dbraw/zinc/23/31/12/598233112.db2.gz SRUPXYOKDUZLMY-IBGZPJMESA-N -1 3 365.412 3.206 20 0 FGADHM CN(Cc1ccc(Br)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736817301 598234554 /nfs/dbraw/zinc/23/45/54/598234554.db2.gz XMVZXBAEFDBLBP-UHFFFAOYSA-N -1 3 362.206 3.405 20 0 FGADHM COc1cccc(C[C@@H]2CCCN2c2cccc(F)c2-c2nnn[n-]2)c1 ZINC000737128721 598240692 /nfs/dbraw/zinc/24/06/92/598240692.db2.gz GMNSQBYXJCBROI-AWEZNQCLSA-N -1 3 353.401 3.226 20 0 FGADHM COc1cccc(C[C@@H]2CCCN2c2cccc(F)c2-c2nn[n-]n2)c1 ZINC000737128721 598240693 /nfs/dbraw/zinc/24/06/93/598240693.db2.gz GMNSQBYXJCBROI-AWEZNQCLSA-N -1 3 353.401 3.226 20 0 FGADHM C[C@H](CCc1ccc2c(c1)OCO2)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000735986066 598242249 /nfs/dbraw/zinc/24/22/49/598242249.db2.gz KVWPLVBNEYNQPC-LLVKDONJSA-N -1 3 355.373 3.168 20 0 FGADHM O=C(Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)N1CCCC1 ZINC000738186454 598254400 /nfs/dbraw/zinc/25/44/00/598254400.db2.gz ZHZODFLZFXRKKG-UHFFFAOYSA-N -1 3 350.382 3.287 20 0 FGADHM O=C(Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)N1CCCC1 ZINC000738186454 598254403 /nfs/dbraw/zinc/25/44/03/598254403.db2.gz ZHZODFLZFXRKKG-UHFFFAOYSA-N -1 3 350.382 3.287 20 0 FGADHM CC(C)Cc1ccc(CC(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000735850494 598281061 /nfs/dbraw/zinc/28/10/61/598281061.db2.gz RMAOANIHDFEGSQ-UHFFFAOYSA-N -1 3 367.428 3.410 20 0 FGADHM CC(C)Cc1ccc(CC(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000735850494 598281063 /nfs/dbraw/zinc/28/10/63/598281063.db2.gz RMAOANIHDFEGSQ-UHFFFAOYSA-N -1 3 367.428 3.410 20 0 FGADHM Cc1ccc(SCC(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)c(C)c1 ZINC000737367883 598282669 /nfs/dbraw/zinc/28/26/69/598282669.db2.gz BYWLXNXBOYJLFD-UHFFFAOYSA-N -1 3 371.441 3.378 20 0 FGADHM Cc1ccc(SCC(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)c(C)c1 ZINC000737367883 598282670 /nfs/dbraw/zinc/28/26/70/598282670.db2.gz BYWLXNXBOYJLFD-UHFFFAOYSA-N -1 3 371.441 3.378 20 0 FGADHM O=C(OCc1cc(-c2nnn[n-]2)ccc1F)c1ccccc1OCC1CC1 ZINC000738236667 598290298 /nfs/dbraw/zinc/29/02/98/598290298.db2.gz OMPVZZASOTVNJA-UHFFFAOYSA-N -1 3 368.368 3.152 20 0 FGADHM O=C(OCc1cc(-c2nn[n-]n2)ccc1F)c1ccccc1OCC1CC1 ZINC000738236667 598290300 /nfs/dbraw/zinc/29/03/00/598290300.db2.gz OMPVZZASOTVNJA-UHFFFAOYSA-N -1 3 368.368 3.152 20 0 FGADHM Cc1ccc(CN(C(=O)NCc2cccc(-c3nnn[n-]3)c2)C(C)C)s1 ZINC000737337961 598294156 /nfs/dbraw/zinc/29/41/56/598294156.db2.gz URADQIYKYBBYHX-UHFFFAOYSA-N -1 3 370.482 3.357 20 0 FGADHM Cc1ccc(CN(C(=O)NCc2cccc(-c3nn[n-]n3)c2)C(C)C)s1 ZINC000737337961 598294157 /nfs/dbraw/zinc/29/41/57/598294157.db2.gz URADQIYKYBBYHX-UHFFFAOYSA-N -1 3 370.482 3.357 20 0 FGADHM C[C@@H](NC(=O)NC(C)(C)c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736113642 598303432 /nfs/dbraw/zinc/30/34/32/598303432.db2.gz RACNOHFFKDLUJU-CYBMUJFWSA-N -1 3 350.426 3.162 20 0 FGADHM C[C@@H](NC(=O)NC(C)(C)c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736113642 598303434 /nfs/dbraw/zinc/30/34/34/598303434.db2.gz RACNOHFFKDLUJU-CYBMUJFWSA-N -1 3 350.426 3.162 20 0 FGADHM CCC[C@@H](C)CC(=O)OCCOc1c(-c2nnn[n-]2)cnc2ccccc21 ZINC000736423688 598307751 /nfs/dbraw/zinc/30/77/51/598307751.db2.gz NIYCEWRNJOTWCW-CYBMUJFWSA-N -1 3 369.425 3.163 20 0 FGADHM CCC[C@@H](C)CC(=O)OCCOc1c(-c2nn[n-]n2)cnc2ccccc21 ZINC000736423688 598307752 /nfs/dbraw/zinc/30/77/52/598307752.db2.gz NIYCEWRNJOTWCW-CYBMUJFWSA-N -1 3 369.425 3.163 20 0 FGADHM CCc1ccc(CCC(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000736681641 598309222 /nfs/dbraw/zinc/30/92/22/598309222.db2.gz DAAJYGUKDWFEHO-UHFFFAOYSA-N -1 3 353.401 3.164 20 0 FGADHM CCc1ccc(CCC(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000736681641 598309224 /nfs/dbraw/zinc/30/92/24/598309224.db2.gz DAAJYGUKDWFEHO-UHFFFAOYSA-N -1 3 353.401 3.164 20 0 FGADHM O=C(c1cccc(-c2nnn[n-]2)c1)N(Cc1ccsc1)c1cccnc1 ZINC000738265636 598309360 /nfs/dbraw/zinc/30/93/60/598309360.db2.gz ABEMNDVWNKLLGS-UHFFFAOYSA-N -1 3 362.418 3.170 20 0 FGADHM O=C(c1cccc(-c2nn[n-]n2)c1)N(Cc1ccsc1)c1cccnc1 ZINC000738265636 598309362 /nfs/dbraw/zinc/30/93/62/598309362.db2.gz ABEMNDVWNKLLGS-UHFFFAOYSA-N -1 3 362.418 3.170 20 0 FGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)c1occc1-c1ccccc1 ZINC000738101606 598309773 /nfs/dbraw/zinc/30/97/73/598309773.db2.gz JZEBIMMIQSPBIT-UHFFFAOYSA-N -1 3 363.352 3.196 20 0 FGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)c1occc1-c1ccccc1 ZINC000738101606 598309774 /nfs/dbraw/zinc/30/97/74/598309774.db2.gz JZEBIMMIQSPBIT-UHFFFAOYSA-N -1 3 363.352 3.196 20 0 FGADHM CN(C(=O)Cc1ccc2c(c1)CCCC2)c1ccc(-c2nnn[n-]2)cc1F ZINC000736740054 598310088 /nfs/dbraw/zinc/31/00/88/598310088.db2.gz YQMFDSYQCFTBOI-UHFFFAOYSA-N -1 3 365.412 3.090 20 0 FGADHM CN(C(=O)Cc1ccc2c(c1)CCCC2)c1ccc(-c2nn[n-]n2)cc1F ZINC000736740054 598310090 /nfs/dbraw/zinc/31/00/90/598310090.db2.gz YQMFDSYQCFTBOI-UHFFFAOYSA-N -1 3 365.412 3.090 20 0 FGADHM C[C@H]1CCc2sc(C(=O)N(C)c3ccc(-c4nnn[n-]4)cc3F)cc2C1 ZINC000736278985 598311330 /nfs/dbraw/zinc/31/13/30/598311330.db2.gz INJDWJNUXAGEHA-JTQLQIEISA-N -1 3 371.441 3.469 20 0 FGADHM C[C@H]1CCc2sc(C(=O)N(C)c3ccc(-c4nn[n-]n4)cc3F)cc2C1 ZINC000736278985 598311332 /nfs/dbraw/zinc/31/13/32/598311332.db2.gz INJDWJNUXAGEHA-JTQLQIEISA-N -1 3 371.441 3.469 20 0 FGADHM CC(C)Oc1ccc(NC(=S)NCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735913458 598320193 /nfs/dbraw/zinc/32/01/93/598320193.db2.gz OQLBPMSUXMXCPL-UHFFFAOYSA-N -1 3 368.466 3.141 20 0 FGADHM CC(C)Oc1ccc(NC(=S)NCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735913458 598320195 /nfs/dbraw/zinc/32/01/95/598320195.db2.gz OQLBPMSUXMXCPL-UHFFFAOYSA-N -1 3 368.466 3.141 20 0 FGADHM CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000735797389 598320602 /nfs/dbraw/zinc/32/06/02/598320602.db2.gz OHFPOIYYCWLWAG-GUYCJALGSA-N -1 3 374.464 3.410 20 0 FGADHM CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000735797389 598320604 /nfs/dbraw/zinc/32/06/04/598320604.db2.gz OHFPOIYYCWLWAG-GUYCJALGSA-N -1 3 374.464 3.410 20 0 FGADHM S=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N[C@@H]1C[C@H]1c1ccccc1 ZINC000738410224 598323165 /nfs/dbraw/zinc/32/31/65/598323165.db2.gz XCDZVZYEJWJZMB-DZGCQCFKSA-N -1 3 370.869 3.363 20 0 FGADHM S=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N[C@@H]1C[C@H]1c1ccccc1 ZINC000738410224 598323166 /nfs/dbraw/zinc/32/31/66/598323166.db2.gz XCDZVZYEJWJZMB-DZGCQCFKSA-N -1 3 370.869 3.363 20 0 FGADHM CC(C)(C)C[C@H]1CCCN1C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000735604671 598327379 /nfs/dbraw/zinc/32/73/79/598327379.db2.gz WZXFLCZFMNNION-CQSZACIVSA-N -1 3 360.437 3.116 20 0 FGADHM CC(C)(C)C[C@H]1CCCN1C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000735604671 598327381 /nfs/dbraw/zinc/32/73/81/598327381.db2.gz WZXFLCZFMNNION-CQSZACIVSA-N -1 3 360.437 3.116 20 0 FGADHM Cc1cccc(N(C(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)C(C)C)c1 ZINC000737396305 598328454 /nfs/dbraw/zinc/32/84/54/598328454.db2.gz GTHOTCWJEVYHEI-HNNXBMFYSA-N -1 3 365.437 3.384 20 0 FGADHM Cc1cccc(N(C(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)C(C)C)c1 ZINC000737396305 598328456 /nfs/dbraw/zinc/32/84/56/598328456.db2.gz GTHOTCWJEVYHEI-HNNXBMFYSA-N -1 3 365.437 3.384 20 0 FGADHM C[C@H](NC(=O)Nc1ccc(-c2cc[nH]n2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736116287 598332513 /nfs/dbraw/zinc/33/25/13/598332513.db2.gz MNNAUANXZNOXPD-LBPRGKRZSA-N -1 3 374.408 3.140 20 0 FGADHM C[C@H](NC(=O)Nc1ccc(-c2cc[nH]n2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736116287 598332515 /nfs/dbraw/zinc/33/25/15/598332515.db2.gz MNNAUANXZNOXPD-LBPRGKRZSA-N -1 3 374.408 3.140 20 0 FGADHM Cc1cc(C)c(NC(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c(C)n1 ZINC000737249319 598332728 /nfs/dbraw/zinc/33/27/28/598332728.db2.gz WGJJVRWKISEVNU-GFCCVEGCSA-N -1 3 351.414 3.070 20 0 FGADHM Cc1cc(C)c(NC(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c(C)n1 ZINC000737249319 598332730 /nfs/dbraw/zinc/33/27/30/598332730.db2.gz WGJJVRWKISEVNU-GFCCVEGCSA-N -1 3 351.414 3.070 20 0 FGADHM CCC(C)(C)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000736311656 598364906 /nfs/dbraw/zinc/36/49/06/598364906.db2.gz BZSVOZJGMUHHGB-UHFFFAOYSA-N -1 3 352.398 3.429 20 0 FGADHM CCC(C)(C)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000736311656 598364907 /nfs/dbraw/zinc/36/49/07/598364907.db2.gz BZSVOZJGMUHHGB-UHFFFAOYSA-N -1 3 352.398 3.429 20 0 FGADHM CCN(Cc1cn(-c2ccccc2)nn1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736555757 598369233 /nfs/dbraw/zinc/36/92/33/598369233.db2.gz LTBCVNYLMFRMCF-HNNXBMFYSA-N -1 3 374.452 3.031 20 0 FGADHM CCN(Cc1cn(-c2ccccc2)nn1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736555757 598369235 /nfs/dbraw/zinc/36/92/35/598369235.db2.gz LTBCVNYLMFRMCF-HNNXBMFYSA-N -1 3 374.452 3.031 20 0 FGADHM Cc1ccc(SC[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000737368867 598369456 /nfs/dbraw/zinc/36/94/56/598369456.db2.gz NQDOXNSDGHRCDL-HNNXBMFYSA-N -1 3 356.451 3.016 20 0 FGADHM Fc1cc(CSCc2ccccc2-c2nnn[n-]2)c2c(c1)COCO2 ZINC000737653941 598370082 /nfs/dbraw/zinc/37/00/82/598370082.db2.gz URLKSRRQWJGTLV-UHFFFAOYSA-N -1 3 358.398 3.306 20 0 FGADHM Fc1cc(CSCc2ccccc2-c2nn[n-]n2)c2c(c1)COCO2 ZINC000737653941 598370084 /nfs/dbraw/zinc/37/00/84/598370084.db2.gz URLKSRRQWJGTLV-UHFFFAOYSA-N -1 3 358.398 3.306 20 0 FGADHM COc1ccccc1CC(C)=CC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737153116 598397430 /nfs/dbraw/zinc/39/74/30/598397430.db2.gz QDCOINNXLZTVGU-ZRDIBKRKSA-N -1 3 367.384 3.142 20 0 FGADHM COc1ccccc1C/C(C)=C/C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737153116 598397431 /nfs/dbraw/zinc/39/74/31/598397431.db2.gz QDCOINNXLZTVGU-ZRDIBKRKSA-N -1 3 367.384 3.142 20 0 FGADHM Cc1ccc2c(c1)[C@H](NC(=O)Nc1ccc(F)c(-c3nnn[n-]3)c1)CC2 ZINC000737371523 598414304 /nfs/dbraw/zinc/41/43/04/598414304.db2.gz GDCUXCBPMUESOH-MRXNPFEDSA-N -1 3 352.373 3.123 20 0 FGADHM Cc1ccc2c(c1)[C@H](NC(=O)Nc1ccc(F)c(-c3nn[n-]n3)c1)CC2 ZINC000737371523 598414306 /nfs/dbraw/zinc/41/43/06/598414306.db2.gz GDCUXCBPMUESOH-MRXNPFEDSA-N -1 3 352.373 3.123 20 0 FGADHM Fc1ccccc1[C@H]1CCN(C(=S)Nc2ccccc2-c2nnn[n-]2)C1 ZINC000737664715 598418156 /nfs/dbraw/zinc/41/81/56/598418156.db2.gz NKZXRFXUBKRKFO-LBPRGKRZSA-N -1 3 368.441 3.192 20 0 FGADHM Fc1ccccc1[C@H]1CCN(C(=S)Nc2ccccc2-c2nn[n-]n2)C1 ZINC000737664715 598418157 /nfs/dbraw/zinc/41/81/57/598418157.db2.gz NKZXRFXUBKRKFO-LBPRGKRZSA-N -1 3 368.441 3.192 20 0 FGADHM Cc1cc(C)cc([C@@H](C)NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737253289 598423375 /nfs/dbraw/zinc/42/33/75/598423375.db2.gz PZZYDQPDKDHCPK-CQSZACIVSA-N -1 3 367.478 3.453 20 0 FGADHM Cc1cc(C)cc([C@@H](C)NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737253289 598423378 /nfs/dbraw/zinc/42/33/78/598423378.db2.gz PZZYDQPDKDHCPK-CQSZACIVSA-N -1 3 367.478 3.453 20 0 FGADHM CN(Cc1ccc(F)cc1Cl)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000736819716 598425291 /nfs/dbraw/zinc/42/52/91/598425291.db2.gz NRXRLCVLAFRVRT-UHFFFAOYSA-N -1 3 353.188 3.344 20 0 FGADHM CN(Cc1ccc(F)cc1Cl)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000736819716 598425293 /nfs/dbraw/zinc/42/52/93/598425293.db2.gz NRXRLCVLAFRVRT-UHFFFAOYSA-N -1 3 353.188 3.344 20 0 FGADHM COc1ccc(NC(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c(C)c1 ZINC000737105383 598428598 /nfs/dbraw/zinc/42/85/98/598428598.db2.gz YWARUGGOCGZVSG-LBPRGKRZSA-N -1 3 352.398 3.066 20 0 FGADHM COc1ccc(NC(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c(C)c1 ZINC000737105383 598428599 /nfs/dbraw/zinc/42/85/99/598428599.db2.gz YWARUGGOCGZVSG-LBPRGKRZSA-N -1 3 352.398 3.066 20 0 FGADHM CC(C)(C)C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC000735595149 598443994 /nfs/dbraw/zinc/44/39/94/598443994.db2.gz ZCDNBGANZASFNS-MRXNPFEDSA-N -1 3 350.426 3.169 20 0 FGADHM CC(C)(C)C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC000735595149 598443996 /nfs/dbraw/zinc/44/39/96/598443996.db2.gz ZCDNBGANZASFNS-MRXNPFEDSA-N -1 3 350.426 3.169 20 0 FGADHM O=C(Nc1ccc2nc(C3CC3)sc2c1)c1ccc(-c2nnn[n-]2)cn1 ZINC000738177339 598450958 /nfs/dbraw/zinc/45/09/58/598450958.db2.gz JDIGDJIGICTDRZ-UHFFFAOYSA-N -1 3 363.406 3.001 20 0 FGADHM O=C(Nc1ccc2nc(C3CC3)sc2c1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738177339 598450959 /nfs/dbraw/zinc/45/09/59/598450959.db2.gz JDIGDJIGICTDRZ-UHFFFAOYSA-N -1 3 363.406 3.001 20 0 FGADHM CC(C)c1ccc(C(C)(C)NC(=O)c2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000735922903 598453849 /nfs/dbraw/zinc/45/38/49/598453849.db2.gz ODFGXLOHSJWTKG-UHFFFAOYSA-N -1 3 350.426 3.050 20 0 FGADHM CC(C)c1ccc(C(C)(C)NC(=O)c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000735922903 598453851 /nfs/dbraw/zinc/45/38/51/598453851.db2.gz ODFGXLOHSJWTKG-UHFFFAOYSA-N -1 3 350.426 3.050 20 0 FGADHM CC[C@@](C)(NC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000736314858 598454848 /nfs/dbraw/zinc/45/48/48/598454848.db2.gz ONRNNQXVJXXVOK-JLTOFOAXSA-N -1 3 365.437 3.076 20 0 FGADHM CC[C@@](C)(NC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000736314858 598454850 /nfs/dbraw/zinc/45/48/50/598454850.db2.gz ONRNNQXVJXXVOK-JLTOFOAXSA-N -1 3 365.437 3.076 20 0 FGADHM C[C@H]1CCCC[C@H]1CNC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000736270973 598479363 /nfs/dbraw/zinc/47/93/63/598479363.db2.gz LCPRJFNPCCLHEA-YOEHRIQHSA-N -1 3 368.485 3.367 20 0 FGADHM C[C@H]1CCCC[C@H]1CNC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000736270973 598479364 /nfs/dbraw/zinc/47/93/64/598479364.db2.gz LCPRJFNPCCLHEA-YOEHRIQHSA-N -1 3 368.485 3.367 20 0 FGADHM Cc1cnn(-c2ccc(C(=O)O[C@@H](C)c3cccc(-c4nnn[n-]4)c3)cc2)c1 ZINC000737441888 598485583 /nfs/dbraw/zinc/48/55/83/598485583.db2.gz DHNQPBFZXZBJTE-AWEZNQCLSA-N -1 3 374.404 3.279 20 0 FGADHM Cc1cnn(-c2ccc(C(=O)O[C@@H](C)c3cccc(-c4nn[n-]n4)c3)cc2)c1 ZINC000737441888 598485585 /nfs/dbraw/zinc/48/55/85/598485585.db2.gz DHNQPBFZXZBJTE-AWEZNQCLSA-N -1 3 374.404 3.279 20 0 FGADHM C[C@@H](Cc1cccc(F)c1)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736058800 598491156 /nfs/dbraw/zinc/49/11/56/598491156.db2.gz PJAJRFCNYYNKGA-LBPRGKRZSA-N -1 3 370.432 3.380 20 0 FGADHM C[C@@H](Cc1cccc(F)c1)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736058800 598491158 /nfs/dbraw/zinc/49/11/58/598491158.db2.gz PJAJRFCNYYNKGA-LBPRGKRZSA-N -1 3 370.432 3.380 20 0 FGADHM O=C(Cc1c[nH]c2cc(Cl)ccc12)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000737955012 598497571 /nfs/dbraw/zinc/49/75/71/598497571.db2.gz VSSJJGRCJWWLHD-UHFFFAOYSA-N -1 3 353.769 3.150 20 0 FGADHM O=C(Cc1c[nH]c2cc(Cl)ccc12)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000737955012 598497572 /nfs/dbraw/zinc/49/75/72/598497572.db2.gz VSSJJGRCJWWLHD-UHFFFAOYSA-N -1 3 353.769 3.150 20 0 FGADHM Cc1nc(CC(C)C)sc1C(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000737473791 598498822 /nfs/dbraw/zinc/49/88/22/598498822.db2.gz HETXSOBJBWRGIJ-UHFFFAOYSA-N -1 3 370.482 3.102 20 0 FGADHM Cc1nc(CC(C)C)sc1C(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000737473791 598498824 /nfs/dbraw/zinc/49/88/24/598498824.db2.gz HETXSOBJBWRGIJ-UHFFFAOYSA-N -1 3 370.482 3.102 20 0 FGADHM CC[C@H](Cc1ccccc1)NC(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000736353329 598513168 /nfs/dbraw/zinc/51/31/68/598513168.db2.gz WTCBXBFMAJRVDW-CQSZACIVSA-N -1 3 352.467 3.174 20 0 FGADHM CC[C@H](Cc1ccccc1)NC(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000736353329 598513170 /nfs/dbraw/zinc/51/31/70/598513170.db2.gz WTCBXBFMAJRVDW-CQSZACIVSA-N -1 3 352.467 3.174 20 0 FGADHM CC(C)CC[C@@H]1CCC[C@H]1NC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000735797983 598519862 /nfs/dbraw/zinc/51/98/62/598519862.db2.gz TXCXACJLLOLJRF-YQQAZPJKSA-N -1 3 371.485 3.355 20 0 FGADHM CC(C)CC[C@@H]1CCC[C@H]1NC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000735797983 598519863 /nfs/dbraw/zinc/51/98/63/598519863.db2.gz TXCXACJLLOLJRF-YQQAZPJKSA-N -1 3 371.485 3.355 20 0 FGADHM Brc1cccc2c1CC[C@@H]2Nc1ccc(-c2nnn[n-]2)cn1 ZINC000735368120 598522260 /nfs/dbraw/zinc/52/22/60/598522260.db2.gz GEGWMENJBVFACS-ZDUSSCGKSA-N -1 3 357.215 3.124 20 0 FGADHM Brc1cccc2c1CC[C@@H]2Nc1ccc(-c2nn[n-]n2)cn1 ZINC000735368120 598522261 /nfs/dbraw/zinc/52/22/61/598522261.db2.gz GEGWMENJBVFACS-ZDUSSCGKSA-N -1 3 357.215 3.124 20 0 FGADHM CCc1noc(-c2ccc(CCNc3ccc(-c4nn[n-]n4)cc3)cc2)n1 ZINC000736710528 598522854 /nfs/dbraw/zinc/52/28/54/598522854.db2.gz IDGAIMMXHHMNEG-UHFFFAOYSA-N -1 3 361.409 3.134 20 0 FGADHM O=C(NCCCCCc1ccccc1)NCc1cccc(-c2nnn[n-]2)c1 ZINC000738054207 598527718 /nfs/dbraw/zinc/52/77/18/598527718.db2.gz NPICFQSVSRHABE-UHFFFAOYSA-N -1 3 364.453 3.079 20 0 FGADHM O=C(NCCCCCc1ccccc1)NCc1cccc(-c2nn[n-]n2)c1 ZINC000738054207 598527719 /nfs/dbraw/zinc/52/77/19/598527719.db2.gz NPICFQSVSRHABE-UHFFFAOYSA-N -1 3 364.453 3.079 20 0 FGADHM CC(C)[C@@H](C)N(C)C(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000735704092 598538481 /nfs/dbraw/zinc/53/84/81/598538481.db2.gz ZRKKZNRBZKQBRU-CYBMUJFWSA-N -1 3 369.425 3.155 20 0 FGADHM CC(C)[C@@H](C)N(C)C(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000735704092 598538483 /nfs/dbraw/zinc/53/84/83/598538483.db2.gz ZRKKZNRBZKQBRU-CYBMUJFWSA-N -1 3 369.425 3.155 20 0 FGADHM CC(C)CN(Cc1noc2c1CCCC2)c1ccc(-c2nn[n-]n2)cc1 ZINC000735830539 598539370 /nfs/dbraw/zinc/53/93/70/598539370.db2.gz HQFBHLYRIGCMPJ-UHFFFAOYSA-N -1 3 352.442 3.396 20 0 FGADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)Nc1scnc1-c1ccccc1 ZINC000737955688 598540964 /nfs/dbraw/zinc/54/09/64/598540964.db2.gz KTNIWJANIHKASA-UHFFFAOYSA-N -1 3 362.418 3.171 20 0 FGADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)Nc1scnc1-c1ccccc1 ZINC000737955688 598540966 /nfs/dbraw/zinc/54/09/66/598540966.db2.gz KTNIWJANIHKASA-UHFFFAOYSA-N -1 3 362.418 3.171 20 0 FGADHM CC(C)C(C)(C)NC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000735693851 598541414 /nfs/dbraw/zinc/54/14/14/598541414.db2.gz MKPMHFJSMORAGL-UHFFFAOYSA-N -1 3 369.425 3.203 20 0 FGADHM C[C@H](NC(=O)CCc1ccc(-c2nnn[n-]2)cc1)C(C)(C)c1ccccc1 ZINC000736104340 598541646 /nfs/dbraw/zinc/54/16/46/598541646.db2.gz FBTQQJNAXANHJZ-HNNXBMFYSA-N -1 3 363.465 3.282 20 0 FGADHM C[C@H](NC(=O)CCc1ccc(-c2nn[n-]n2)cc1)C(C)(C)c1ccccc1 ZINC000736104340 598541648 /nfs/dbraw/zinc/54/16/48/598541648.db2.gz FBTQQJNAXANHJZ-HNNXBMFYSA-N -1 3 363.465 3.282 20 0 FGADHM Cc1cc(OCc2cccc(-c3nnn[n-]3)c2)ccc1NC(=O)C1CCC1 ZINC000737279673 598542481 /nfs/dbraw/zinc/54/24/81/598542481.db2.gz LLBRHNPANDAHAF-UHFFFAOYSA-N -1 3 363.421 3.493 20 0 FGADHM Cc1cc(OCc2cccc(-c3nn[n-]n3)c2)ccc1NC(=O)C1CCC1 ZINC000737279673 598542482 /nfs/dbraw/zinc/54/24/82/598542482.db2.gz LLBRHNPANDAHAF-UHFFFAOYSA-N -1 3 363.421 3.493 20 0 FGADHM O=C(CCc1ccsc1)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000737860644 598547176 /nfs/dbraw/zinc/54/71/76/598547176.db2.gz LVXWYMGWGAMOHR-UHFFFAOYSA-N -1 3 365.365 3.101 20 0 FGADHM O=C(CCc1ccsc1)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000737860644 598547177 /nfs/dbraw/zinc/54/71/77/598547177.db2.gz LVXWYMGWGAMOHR-UHFFFAOYSA-N -1 3 365.365 3.101 20 0 FGADHM CC[C@H](OC)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736381154 598554692 /nfs/dbraw/zinc/55/46/92/598554692.db2.gz IHAXLRCQEOZVGB-INIZCTEOSA-N -1 3 353.382 3.023 20 0 FGADHM CC[C@H](OC)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736381154 598554694 /nfs/dbraw/zinc/55/46/94/598554694.db2.gz IHAXLRCQEOZVGB-INIZCTEOSA-N -1 3 353.382 3.023 20 0 FGADHM O=C(C[C@H]1CCCO1)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737824720 598555326 /nfs/dbraw/zinc/55/53/26/598555326.db2.gz ZMCJIRQVSVHDGY-MRXNPFEDSA-N -1 3 365.393 3.167 20 0 FGADHM O=C(C[C@H]1CCCO1)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737824720 598555327 /nfs/dbraw/zinc/55/53/27/598555327.db2.gz ZMCJIRQVSVHDGY-MRXNPFEDSA-N -1 3 365.393 3.167 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)/C=C\Sc1ccccc1 ZINC000737023092 598557640 /nfs/dbraw/zinc/55/76/40/598557640.db2.gz AGTKSCFDBXGCLR-KTKRTIGZSA-N -1 3 354.391 3.087 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)/C=C\Sc1ccccc1 ZINC000737023092 598557642 /nfs/dbraw/zinc/55/76/42/598557642.db2.gz AGTKSCFDBXGCLR-KTKRTIGZSA-N -1 3 354.391 3.087 20 0 FGADHM O=C(NCC1CC1)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000738045347 598565975 /nfs/dbraw/zinc/56/59/75/598565975.db2.gz OMZFLZUJBUQCJM-UHFFFAOYSA-N -1 3 350.382 3.191 20 0 FGADHM O=C(NCC1CC1)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000738045347 598565976 /nfs/dbraw/zinc/56/59/76/598565976.db2.gz OMZFLZUJBUQCJM-UHFFFAOYSA-N -1 3 350.382 3.191 20 0 FGADHM C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736100556 598568051 /nfs/dbraw/zinc/56/80/51/598568051.db2.gz MNSKHSOVCZLAGW-NZVBXONLSA-N -1 3 369.375 3.126 20 0 FGADHM C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736100556 598568053 /nfs/dbraw/zinc/56/80/53/598568053.db2.gz MNSKHSOVCZLAGW-NZVBXONLSA-N -1 3 369.375 3.126 20 0 FGADHM CCN(c1ccc(C(=O)Nc2ccccc2-c2nnn[n-]2)cc1)C(C)C ZINC000736565445 598571973 /nfs/dbraw/zinc/57/19/73/598571973.db2.gz YFRMCYSQUBODEM-UHFFFAOYSA-N -1 3 350.426 3.354 20 0 FGADHM CCN(c1ccc(C(=O)Nc2ccccc2-c2nn[n-]n2)cc1)C(C)C ZINC000736565445 598571974 /nfs/dbraw/zinc/57/19/74/598571974.db2.gz YFRMCYSQUBODEM-UHFFFAOYSA-N -1 3 350.426 3.354 20 0 FGADHM COCC[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)cc1C)c1ccccc1 ZINC000826155557 607780436 /nfs/dbraw/zinc/78/04/36/607780436.db2.gz UNQWMCAPDHCYKF-QGZVFWFLSA-N -1 3 352.394 3.110 20 0 FGADHM COCC[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)cc1C)c1ccccc1 ZINC000826155557 607780437 /nfs/dbraw/zinc/78/04/37/607780437.db2.gz UNQWMCAPDHCYKF-QGZVFWFLSA-N -1 3 352.394 3.110 20 0 FGADHM Cc1ccc([C@@H](O)CNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cc1 ZINC000737319788 598575215 /nfs/dbraw/zinc/57/52/15/598575215.db2.gz KFHIWMDXHUQDBW-HNNXBMFYSA-N -1 3 363.343 3.339 20 0 FGADHM Cc1ccc([C@@H](O)CNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cc1 ZINC000737319788 598575216 /nfs/dbraw/zinc/57/52/16/598575216.db2.gz KFHIWMDXHUQDBW-HNNXBMFYSA-N -1 3 363.343 3.339 20 0 FGADHM CN(Cc1ncc(-c2cccs2)o1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736817996 598580205 /nfs/dbraw/zinc/58/02/05/598580205.db2.gz KLBOSTZVDCJXLL-UHFFFAOYSA-N -1 3 352.423 3.215 20 0 FGADHM CN(Cc1ncc(-c2cccs2)o1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736817996 598580206 /nfs/dbraw/zinc/58/02/06/598580206.db2.gz KLBOSTZVDCJXLL-UHFFFAOYSA-N -1 3 352.423 3.215 20 0 FGADHM Cc1cccc(C2(C(=O)Nc3ccc(F)c(-c4nnn[n-]4)c3)CCC2)c1 ZINC000737388012 598588065 /nfs/dbraw/zinc/58/80/65/598588065.db2.gz DGSVKKCKQFPSDT-UHFFFAOYSA-N -1 3 351.385 3.375 20 0 FGADHM Cc1cccc(C2(C(=O)Nc3ccc(F)c(-c4nn[n-]n4)c3)CCC2)c1 ZINC000737388012 598588067 /nfs/dbraw/zinc/58/80/67/598588067.db2.gz DGSVKKCKQFPSDT-UHFFFAOYSA-N -1 3 351.385 3.375 20 0 FGADHM Cc1ccc(SCC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c(C)c1 ZINC000737369525 598590707 /nfs/dbraw/zinc/59/07/07/598590707.db2.gz VWZNDIXCQXMCPD-UHFFFAOYSA-N -1 3 357.414 3.353 20 0 FGADHM Cc1ccc(SCC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c(C)c1 ZINC000737369525 598590709 /nfs/dbraw/zinc/59/07/09/598590709.db2.gz VWZNDIXCQXMCPD-UHFFFAOYSA-N -1 3 357.414 3.353 20 0 FGADHM O=C(COc1cccc2ccccc21)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737924323 598590973 /nfs/dbraw/zinc/59/09/73/598590973.db2.gz AQLIROGFWFMSEV-UHFFFAOYSA-N -1 3 363.352 3.177 20 0 FGADHM O=C(COc1cccc2ccccc21)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737924323 598590975 /nfs/dbraw/zinc/59/09/75/598590975.db2.gz AQLIROGFWFMSEV-UHFFFAOYSA-N -1 3 363.352 3.177 20 0 FGADHM O=C(CSc1ccccc1Cl)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737948395 598591214 /nfs/dbraw/zinc/59/12/14/598591214.db2.gz VBRVWDCREDIBEL-UHFFFAOYSA-N -1 3 363.805 3.390 20 0 FGADHM O=C(CSc1ccccc1Cl)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737948395 598591216 /nfs/dbraw/zinc/59/12/16/598591216.db2.gz VBRVWDCREDIBEL-UHFFFAOYSA-N -1 3 363.805 3.390 20 0 FGADHM Cc1nn(C)c(Cl)c1CSCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737512375 598597037 /nfs/dbraw/zinc/59/70/37/598597037.db2.gz UIEBDVSKRXMGSK-UHFFFAOYSA-N -1 3 352.826 3.135 20 0 FGADHM Cc1nn(C)c(Cl)c1CSCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737512375 598597039 /nfs/dbraw/zinc/59/70/39/598597039.db2.gz UIEBDVSKRXMGSK-UHFFFAOYSA-N -1 3 352.826 3.135 20 0 FGADHM CCC[C@@H]1CCCC[C@@H]1NC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000736435532 598608850 /nfs/dbraw/zinc/60/88/50/598608850.db2.gz MOWYKICDRHQIOQ-VBQJREDUSA-N -1 3 357.458 3.109 20 0 FGADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1)N(c1ccccc1)C1CCCC1 ZINC000738347568 598622240 /nfs/dbraw/zinc/62/22/40/598622240.db2.gz MCBMPUXNULILGN-UHFFFAOYSA-N -1 3 369.450 3.005 20 0 FGADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1)N(c1ccccc1)C1CCCC1 ZINC000738347568 598622241 /nfs/dbraw/zinc/62/22/41/598622241.db2.gz MCBMPUXNULILGN-UHFFFAOYSA-N -1 3 369.450 3.005 20 0 FGADHM COc1ccc2cc(C(=O)Nc3cccc(-c4nnn[n-]4)c3C)c(C)nc2c1 ZINC000821854164 607361066 /nfs/dbraw/zinc/36/10/66/607361066.db2.gz GYJOPGIKXJDFGT-UHFFFAOYSA-N -1 3 374.404 3.293 20 0 FGADHM COc1ccc2cc(C(=O)Nc3cccc(-c4nn[n-]n4)c3C)c(C)nc2c1 ZINC000821854164 607361068 /nfs/dbraw/zinc/36/10/68/607361068.db2.gz GYJOPGIKXJDFGT-UHFFFAOYSA-N -1 3 374.404 3.293 20 0 FGADHM Cc1ccc2c(c1)CC[C@H]2NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737377788 598627953 /nfs/dbraw/zinc/62/79/53/598627953.db2.gz OQTUPLNSWGUQDL-MRXNPFEDSA-N -1 3 352.373 3.123 20 0 FGADHM Cc1ccc2c(c1)CC[C@H]2NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737377788 598627955 /nfs/dbraw/zinc/62/79/55/598627955.db2.gz OQTUPLNSWGUQDL-MRXNPFEDSA-N -1 3 352.373 3.123 20 0 FGADHM Cc1ccccc1[C@H]1CCN(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000737422680 598627978 /nfs/dbraw/zinc/62/79/78/598627978.db2.gz NMOSINHOQFCYJS-ZDUSSCGKSA-N -1 3 366.400 3.336 20 0 FGADHM Cc1ccccc1[C@H]1CCN(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000737422680 598627979 /nfs/dbraw/zinc/62/79/79/598627979.db2.gz NMOSINHOQFCYJS-ZDUSSCGKSA-N -1 3 366.400 3.336 20 0 FGADHM CC(C)Oc1ccc(CNC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000735916002 598630632 /nfs/dbraw/zinc/63/06/32/598630632.db2.gz YAHGMEOHNPCAQE-UHFFFAOYSA-N -1 3 370.388 3.115 20 0 FGADHM CC(C)Oc1ccc(CNC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000735916002 598630633 /nfs/dbraw/zinc/63/06/33/598630633.db2.gz YAHGMEOHNPCAQE-UHFFFAOYSA-N -1 3 370.388 3.115 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000738167837 598633051 /nfs/dbraw/zinc/63/30/51/598633051.db2.gz WBKDODUPQQCMME-FRRDWIJNSA-N -1 3 358.421 3.486 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000738167837 598633053 /nfs/dbraw/zinc/63/30/53/598633053.db2.gz WBKDODUPQQCMME-FRRDWIJNSA-N -1 3 358.421 3.486 20 0 FGADHM CC[C@H](NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(OC)cc1 ZINC000736365605 598633791 /nfs/dbraw/zinc/63/37/91/598633791.db2.gz XNQKXXRRKHCRHS-INIZCTEOSA-N -1 3 370.388 3.287 20 0 FGADHM CC[C@H](NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(OC)cc1 ZINC000736365605 598633793 /nfs/dbraw/zinc/63/37/93/598633793.db2.gz XNQKXXRRKHCRHS-INIZCTEOSA-N -1 3 370.388 3.287 20 0 FGADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)Oc1ccccc1F ZINC000737841549 598645582 /nfs/dbraw/zinc/64/55/82/598645582.db2.gz LWPNEMWRIXQYLL-UHFFFAOYSA-N -1 3 356.357 3.161 20 0 FGADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)Oc1ccccc1F ZINC000737841549 598645584 /nfs/dbraw/zinc/64/55/84/598645584.db2.gz LWPNEMWRIXQYLL-UHFFFAOYSA-N -1 3 356.357 3.161 20 0 FGADHM CC(=O)c1ccc(OCCCOc2ccc(-c3nn[n-]n3)cc2)c(F)c1 ZINC000735499693 598645695 /nfs/dbraw/zinc/64/56/95/598645695.db2.gz RWXGGKHOWXYGBU-UHFFFAOYSA-N -1 3 356.357 3.056 20 0 FGADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)Nc1ccccc1F ZINC000737833473 598645818 /nfs/dbraw/zinc/64/58/18/598645818.db2.gz SSIQGSFSKSBCNN-UHFFFAOYSA-N -1 3 355.373 3.194 20 0 FGADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)Nc1ccccc1F ZINC000737833473 598645819 /nfs/dbraw/zinc/64/58/19/598645819.db2.gz SSIQGSFSKSBCNN-UHFFFAOYSA-N -1 3 355.373 3.194 20 0 FGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)Nc1nc2ccccc2s1 ZINC000737946835 598647704 /nfs/dbraw/zinc/64/77/04/598647704.db2.gz GNNDETDULWUESV-UHFFFAOYSA-N -1 3 368.447 3.207 20 0 FGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)Nc1nc2ccccc2s1 ZINC000737946835 598647707 /nfs/dbraw/zinc/64/77/07/598647707.db2.gz GNNDETDULWUESV-UHFFFAOYSA-N -1 3 368.447 3.207 20 0 FGADHM C[C@@H]1CCC[C@@H](C)N1C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736247971 598648195 /nfs/dbraw/zinc/64/81/95/598648195.db2.gz IBIYTJFYNAAPIB-HUUCEWRRSA-N -1 3 357.458 3.205 20 0 FGADHM C[C@@H]1CCC[C@@H](C)N1C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736247971 598648196 /nfs/dbraw/zinc/64/81/96/598648196.db2.gz IBIYTJFYNAAPIB-HUUCEWRRSA-N -1 3 357.458 3.205 20 0 FGADHM CC(C)CN(C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000735819610 598648948 /nfs/dbraw/zinc/64/89/48/598648948.db2.gz ZNCWCIXRCYIOSH-UHFFFAOYSA-N -1 3 357.458 3.063 20 0 FGADHM CC(C)CN(C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000735819610 598648950 /nfs/dbraw/zinc/64/89/50/598648950.db2.gz ZNCWCIXRCYIOSH-UHFFFAOYSA-N -1 3 357.458 3.063 20 0 FGADHM CCN(C(=O)CC[C@H]1CCCCO1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736502635 598651338 /nfs/dbraw/zinc/65/13/38/598651338.db2.gz OXWYYCZIZBHILO-WMLDXEAASA-N -1 3 357.458 3.126 20 0 FGADHM CCN(C(=O)CC[C@H]1CCCCO1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736502635 598651340 /nfs/dbraw/zinc/65/13/40/598651340.db2.gz OXWYYCZIZBHILO-WMLDXEAASA-N -1 3 357.458 3.126 20 0 FGADHM COc1ccccc1[C@H](C)CC(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000737143165 598657181 /nfs/dbraw/zinc/65/71/81/598657181.db2.gz STDQAPJAERVBML-CYBMUJFWSA-N -1 3 351.410 3.316 20 0 FGADHM COc1ccccc1[C@H](C)CC(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000737143165 598657183 /nfs/dbraw/zinc/65/71/83/598657183.db2.gz STDQAPJAERVBML-CYBMUJFWSA-N -1 3 351.410 3.316 20 0 FGADHM CCCC[C@H]1CCC[C@@H]1NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736441305 598658140 /nfs/dbraw/zinc/65/81/40/598658140.db2.gz PGIHAYHULHOSPF-BBRMVZONSA-N -1 3 359.499 3.434 20 0 FGADHM CCCC[C@H]1CCC[C@@H]1NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736441305 598658142 /nfs/dbraw/zinc/65/81/42/598658142.db2.gz PGIHAYHULHOSPF-BBRMVZONSA-N -1 3 359.499 3.434 20 0 FGADHM CC(C)c1ccc(SCC(=O)Nc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000735929468 598659524 /nfs/dbraw/zinc/65/95/24/598659524.db2.gz ZYDNMPWYGXXBBN-UHFFFAOYSA-N -1 3 354.439 3.116 20 0 FGADHM CC(C)c1ccc(SCC(=O)Nc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000735929468 598659525 /nfs/dbraw/zinc/65/95/25/598659525.db2.gz ZYDNMPWYGXXBBN-UHFFFAOYSA-N -1 3 354.439 3.116 20 0 FGADHM CC[C@H](C)Oc1ccccc1C=CC(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000736326934 598661272 /nfs/dbraw/zinc/66/12/72/598661272.db2.gz JPCPMIBUICTRBT-FUWURINLSA-N -1 3 364.409 3.091 20 0 FGADHM CC[C@H](C)Oc1ccccc1C=CC(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000736326934 598661273 /nfs/dbraw/zinc/66/12/73/598661273.db2.gz JPCPMIBUICTRBT-FUWURINLSA-N -1 3 364.409 3.091 20 0 FGADHM C[C@H](NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000736103463 598664252 /nfs/dbraw/zinc/66/42/52/598664252.db2.gz WQUBTEOTHJODMH-HNNXBMFYSA-N -1 3 365.437 3.293 20 0 FGADHM C[C@H](NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000736103463 598664253 /nfs/dbraw/zinc/66/42/53/598664253.db2.gz WQUBTEOTHJODMH-HNNXBMFYSA-N -1 3 365.437 3.293 20 0 FGADHM CCc1csc(NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)n1 ZINC000736698842 598665170 /nfs/dbraw/zinc/66/51/70/598665170.db2.gz LPHPYWZNNFSDAA-UHFFFAOYSA-N -1 3 372.454 3.073 20 0 FGADHM CCc1csc(NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)n1 ZINC000736698842 598665172 /nfs/dbraw/zinc/66/51/72/598665172.db2.gz LPHPYWZNNFSDAA-UHFFFAOYSA-N -1 3 372.454 3.073 20 0 FGADHM CCC(CC)CNC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000736341869 598665231 /nfs/dbraw/zinc/66/52/31/598665231.db2.gz JKMHTSUBHIHGQY-UHFFFAOYSA-N -1 3 366.425 3.220 20 0 FGADHM CCC(CC)CNC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000736341869 598665233 /nfs/dbraw/zinc/66/52/33/598665233.db2.gz JKMHTSUBHIHGQY-UHFFFAOYSA-N -1 3 366.425 3.220 20 0 FGADHM Cc1cc(N2CCC[C@@H]2C2CC2)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000737271647 598673458 /nfs/dbraw/zinc/67/34/58/598673458.db2.gz MVBRDLHFGOSURM-OAHLLOKOSA-N -1 3 359.437 3.355 20 0 FGADHM Cc1cc(N2CCC[C@@H]2C2CC2)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC000737271647 598673459 /nfs/dbraw/zinc/67/34/59/598673459.db2.gz MVBRDLHFGOSURM-OAHLLOKOSA-N -1 3 359.437 3.355 20 0 FGADHM CN(CC1CCCC1)C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736793932 598686267 /nfs/dbraw/zinc/68/62/67/598686267.db2.gz OOLQNKZYSCGRIB-UHFFFAOYSA-N -1 3 357.458 3.064 20 0 FGADHM CN(CC1CCCC1)C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736793932 598686269 /nfs/dbraw/zinc/68/62/69/598686269.db2.gz OOLQNKZYSCGRIB-UHFFFAOYSA-N -1 3 357.458 3.064 20 0 FGADHM Cc1c2ccccc2oc1C(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737209840 598701753 /nfs/dbraw/zinc/70/17/53/598701753.db2.gz VUQOKSJYPWHQKY-UHFFFAOYSA-N -1 3 352.325 3.417 20 0 FGADHM Cc1c2ccccc2oc1C(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737209840 598701755 /nfs/dbraw/zinc/70/17/55/598701755.db2.gz VUQOKSJYPWHQKY-UHFFFAOYSA-N -1 3 352.325 3.417 20 0 FGADHM C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)N1Cc1ccc(-c2nnn[n-]2)cc1F ZINC000736295671 598706481 /nfs/dbraw/zinc/70/64/81/598706481.db2.gz WAPWIPUVQFXIDH-TYILLQQXSA-N -1 3 367.428 3.356 20 0 FGADHM C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)N1Cc1ccc(-c2nn[n-]n2)cc1F ZINC000736295671 598706483 /nfs/dbraw/zinc/70/64/83/598706483.db2.gz WAPWIPUVQFXIDH-TYILLQQXSA-N -1 3 367.428 3.356 20 0 FGADHM Cc1ccccc1OCCCC(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737431016 598706675 /nfs/dbraw/zinc/70/66/75/598706675.db2.gz DBSZRFHEOPFGJE-UHFFFAOYSA-N -1 3 370.384 3.217 20 0 FGADHM Cc1ccccc1OCCCC(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737431016 598706677 /nfs/dbraw/zinc/70/66/77/598706677.db2.gz DBSZRFHEOPFGJE-UHFFFAOYSA-N -1 3 370.384 3.217 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)c1cc(F)c(F)cc1Cl ZINC000738230592 598706757 /nfs/dbraw/zinc/70/67/57/598706757.db2.gz HIMRXBPNCNQOPO-UHFFFAOYSA-N -1 3 368.702 3.294 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)c1cc(F)c(F)cc1Cl ZINC000738230592 598706758 /nfs/dbraw/zinc/70/67/58/598706758.db2.gz HIMRXBPNCNQOPO-UHFFFAOYSA-N -1 3 368.702 3.294 20 0 FGADHM CC(C)[C@H]1CCCC[C@@H]1NC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736113240 598716746 /nfs/dbraw/zinc/71/67/46/598716746.db2.gz LSQSXOPYFRCGKX-XKQJLSEDSA-N -1 3 356.474 3.442 20 0 FGADHM CC(C)[C@H]1CCCC[C@@H]1NC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736113240 598716747 /nfs/dbraw/zinc/71/67/47/598716747.db2.gz LSQSXOPYFRCGKX-XKQJLSEDSA-N -1 3 356.474 3.442 20 0 FGADHM O=C(NC[C@H]1CCc2ccccc21)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000738051389 598728333 /nfs/dbraw/zinc/72/83/33/598728333.db2.gz NHFRENLOWAATGT-GFCCVEGCSA-N -1 3 368.828 3.372 20 0 FGADHM O=C(NC[C@H]1CCc2ccccc21)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000738051389 598728334 /nfs/dbraw/zinc/72/83/34/598728334.db2.gz NHFRENLOWAATGT-GFCCVEGCSA-N -1 3 368.828 3.372 20 0 FGADHM CC(C)C[C@H](C)CC(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735762619 598745235 /nfs/dbraw/zinc/74/52/35/598745235.db2.gz YWNHSOGSIFINOX-HNNXBMFYSA-N -1 3 371.485 3.309 20 0 FGADHM Fc1ccc(Cl)c2c1ncc(-c1nnn[n-]1)c2N1CCCSCC1 ZINC000737660288 598745581 /nfs/dbraw/zinc/74/55/81/598745581.db2.gz PWNOCPRCOJEXOM-UHFFFAOYSA-N -1 3 364.837 3.151 20 0 FGADHM Fc1ccc(Cl)c2c1ncc(-c1nn[n-]n1)c2N1CCCSCC1 ZINC000737660288 598745582 /nfs/dbraw/zinc/74/55/82/598745582.db2.gz PWNOCPRCOJEXOM-UHFFFAOYSA-N -1 3 364.837 3.151 20 0 FGADHM CCS[C@@H]1CCCCN(C(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736665002 598750482 /nfs/dbraw/zinc/75/04/82/598750482.db2.gz NJIOJYXFIOIYEZ-CZUORRHYSA-N -1 3 374.514 3.245 20 0 FGADHM CCS[C@@H]1CCCCN(C(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736665002 598750484 /nfs/dbraw/zinc/75/04/84/598750484.db2.gz NJIOJYXFIOIYEZ-CZUORRHYSA-N -1 3 374.514 3.245 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)NC1(c2ccc(Cl)cc2)CC1 ZINC000738165950 598761429 /nfs/dbraw/zinc/76/14/29/598761429.db2.gz IGWLVZKSVHGESZ-UHFFFAOYSA-N -1 3 372.791 3.470 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)NC1(c2ccc(Cl)cc2)CC1 ZINC000738165950 598761431 /nfs/dbraw/zinc/76/14/31/598761431.db2.gz IGWLVZKSVHGESZ-UHFFFAOYSA-N -1 3 372.791 3.470 20 0 FGADHM Clc1ccccc1[C@@H]1CN(Cc2cccc(-c3nnn[n-]3)c2)CCO1 ZINC000737584547 598765154 /nfs/dbraw/zinc/76/51/54/598765154.db2.gz RWCHPQVGPBNOSQ-KRWDZBQOSA-N -1 3 355.829 3.094 20 0 FGADHM Clc1ccccc1[C@@H]1CN(Cc2cccc(-c3nn[n-]n3)c2)CCO1 ZINC000737584547 598765156 /nfs/dbraw/zinc/76/51/56/598765156.db2.gz RWCHPQVGPBNOSQ-KRWDZBQOSA-N -1 3 355.829 3.094 20 0 FGADHM Fc1cc(F)c2ncc(-c3nnn[n-]3)c(N3CCc4ccccc4C3)c2c1 ZINC000737644710 598769259 /nfs/dbraw/zinc/76/92/59/598769259.db2.gz KWCAWHWHYVJCKQ-UHFFFAOYSA-N -1 3 364.359 3.256 20 0 FGADHM Fc1cc(F)c2ncc(-c3nn[n-]n3)c(N3CCc4ccccc4C3)c2c1 ZINC000737644710 598769261 /nfs/dbraw/zinc/76/92/61/598769261.db2.gz KWCAWHWHYVJCKQ-UHFFFAOYSA-N -1 3 364.359 3.256 20 0 FGADHM CN(Cc1cccs1)c1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21 ZINC000736829216 598770769 /nfs/dbraw/zinc/77/07/69/598770769.db2.gz XBBKVMXGYFIIJK-UHFFFAOYSA-N -1 3 358.377 3.391 20 0 FGADHM CN(Cc1cccs1)c1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21 ZINC000736829216 598770770 /nfs/dbraw/zinc/77/07/70/598770770.db2.gz XBBKVMXGYFIIJK-UHFFFAOYSA-N -1 3 358.377 3.391 20 0 FGADHM Fc1ccc(CCNc2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)cc1 ZINC000737651574 598771421 /nfs/dbraw/zinc/77/14/21/598771421.db2.gz VPJOJCFULWCEAU-UHFFFAOYSA-N -1 3 370.338 3.487 20 0 FGADHM Fc1ccc(CCNc2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)cc1 ZINC000737651574 598771422 /nfs/dbraw/zinc/77/14/22/598771422.db2.gz VPJOJCFULWCEAU-UHFFFAOYSA-N -1 3 370.338 3.487 20 0 FGADHM CC(C)Oc1ccc(NC(=S)NCc2cccs2)cc1-c1nnn[n-]1 ZINC000820173855 607366787 /nfs/dbraw/zinc/36/67/87/607366787.db2.gz LMMIEKZKTMWOMK-UHFFFAOYSA-N -1 3 374.495 3.202 20 0 FGADHM CC(C)Oc1ccc(NC(=S)NCc2cccs2)cc1-c1nn[n-]n1 ZINC000820173855 607366788 /nfs/dbraw/zinc/36/67/88/607366788.db2.gz LMMIEKZKTMWOMK-UHFFFAOYSA-N -1 3 374.495 3.202 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N(Cc1ccccn1)C(C)C ZINC000737292511 598782912 /nfs/dbraw/zinc/78/29/12/598782912.db2.gz UMFMXFNHMYCKAX-UHFFFAOYSA-N -1 3 351.414 3.013 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N(Cc1ccccn1)C(C)C ZINC000737292511 598782914 /nfs/dbraw/zinc/78/29/14/598782914.db2.gz UMFMXFNHMYCKAX-UHFFFAOYSA-N -1 3 351.414 3.013 20 0 FGADHM CC(C)[C@@H]1CCC[C@@H](NC(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000735747161 598783237 /nfs/dbraw/zinc/78/32/37/598783237.db2.gz PEUOJMPTISECHE-NVXWUHKLSA-N -1 3 356.474 3.223 20 0 FGADHM CC(C)[C@@H]1CCC[C@@H](NC(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000735747161 598783239 /nfs/dbraw/zinc/78/32/39/598783239.db2.gz PEUOJMPTISECHE-NVXWUHKLSA-N -1 3 356.474 3.223 20 0 FGADHM CC(C)(C)[C@@H](COc1ccccc1F)Nc1ncccc1-c1nnn[n-]1 ZINC000735589935 598788350 /nfs/dbraw/zinc/78/83/50/598788350.db2.gz RDVUHTZQBKENDL-OAHLLOKOSA-N -1 3 356.405 3.306 20 0 FGADHM CC(C)(C)[C@@H](COc1ccccc1F)Nc1ncccc1-c1nn[n-]n1 ZINC000735589935 598788353 /nfs/dbraw/zinc/78/83/53/598788353.db2.gz RDVUHTZQBKENDL-OAHLLOKOSA-N -1 3 356.405 3.306 20 0 FGADHM CCN(C)C(=O)c1ccccc1SCc1ccc(-c2nnn[n-]2)cc1 ZINC000736509990 598788381 /nfs/dbraw/zinc/78/83/81/598788381.db2.gz MVIBQOSREBHFML-UHFFFAOYSA-N -1 3 353.451 3.251 20 0 FGADHM CCN(C)C(=O)c1ccccc1SCc1ccc(-c2nn[n-]n2)cc1 ZINC000736509990 598788382 /nfs/dbraw/zinc/78/83/82/598788382.db2.gz MVIBQOSREBHFML-UHFFFAOYSA-N -1 3 353.451 3.251 20 0 FGADHM CN(C(=O)c1cccc(Oc2ccncc2)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000736741960 598793420 /nfs/dbraw/zinc/79/34/20/598793420.db2.gz WCHVDFSNTHOIAK-UHFFFAOYSA-N -1 3 372.388 3.331 20 0 FGADHM CN(C(=O)c1cccc(Oc2ccncc2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000736741960 598793421 /nfs/dbraw/zinc/79/34/21/598793421.db2.gz WCHVDFSNTHOIAK-UHFFFAOYSA-N -1 3 372.388 3.331 20 0 FGADHM Cc1cccc(C)c1OCCCOC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737387752 598800790 /nfs/dbraw/zinc/80/07/90/598800790.db2.gz ATVNACSYTBTXFK-UHFFFAOYSA-N -1 3 352.394 3.109 20 0 FGADHM Cc1cccc(C)c1OCCCOC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737387752 598800791 /nfs/dbraw/zinc/80/07/91/598800791.db2.gz ATVNACSYTBTXFK-UHFFFAOYSA-N -1 3 352.394 3.109 20 0 FGADHM Cc1cc(O[C@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)cn2)ccc1C(C)C ZINC000737280441 598803493 /nfs/dbraw/zinc/80/34/93/598803493.db2.gz WACCAFSCJODGNR-CYBMUJFWSA-N -1 3 366.425 3.100 20 0 FGADHM Cc1cc(O[C@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)cn2)ccc1C(C)C ZINC000737280441 598803494 /nfs/dbraw/zinc/80/34/94/598803494.db2.gz WACCAFSCJODGNR-CYBMUJFWSA-N -1 3 366.425 3.100 20 0 FGADHM CC(C)[C@@H](C)C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(F)(F)F ZINC000735701751 598803694 /nfs/dbraw/zinc/80/36/94/598803694.db2.gz LGDTYLFIVBWBRN-LLVKDONJSA-N -1 3 355.364 3.050 20 0 FGADHM CC(C)[C@@H](C)C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(F)(F)F ZINC000735701751 598803695 /nfs/dbraw/zinc/80/36/95/598803695.db2.gz LGDTYLFIVBWBRN-LLVKDONJSA-N -1 3 355.364 3.050 20 0 FGADHM O=C(Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)s1 ZINC000738194297 598809256 /nfs/dbraw/zinc/80/92/56/598809256.db2.gz CDPLMQVUWOWWBO-UHFFFAOYSA-N -1 3 371.813 3.020 20 0 FGADHM C[C@H](c1ccccc1Br)N(C)c1ncccc1-c1nnn[n-]1 ZINC000736200959 598814843 /nfs/dbraw/zinc/81/48/43/598814843.db2.gz FRJBGRXZCDKWCC-SNVBAGLBSA-N -1 3 359.231 3.222 20 0 FGADHM C[C@H](c1ccccc1Br)N(C)c1ncccc1-c1nn[n-]n1 ZINC000736200959 598814844 /nfs/dbraw/zinc/81/48/44/598814844.db2.gz FRJBGRXZCDKWCC-SNVBAGLBSA-N -1 3 359.231 3.222 20 0 FGADHM CCC[C@@H]1CCc2c(sc(=O)n2Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736435355 598818399 /nfs/dbraw/zinc/81/83/99/598818399.db2.gz LCSOCGOEYVJBGA-GFCCVEGCSA-N -1 3 355.467 3.043 20 0 FGADHM CCC[C@@H]1CCc2c(sc(=O)n2Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736435355 598818401 /nfs/dbraw/zinc/81/84/01/598818401.db2.gz LCSOCGOEYVJBGA-GFCCVEGCSA-N -1 3 355.467 3.043 20 0 FGADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OCc1cccnc1Cl ZINC000737026966 598818905 /nfs/dbraw/zinc/81/89/05/598818905.db2.gz VFPRQOYXTVDBDL-UHFFFAOYSA-N -1 3 352.181 3.156 20 0 FGADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OCc1cccnc1Cl ZINC000737026966 598818907 /nfs/dbraw/zinc/81/89/07/598818907.db2.gz VFPRQOYXTVDBDL-UHFFFAOYSA-N -1 3 352.181 3.156 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1OCc1nc(-c2ccc(Cl)cc2)no1 ZINC000737220611 598819018 /nfs/dbraw/zinc/81/90/18/598819018.db2.gz CNRMJPPGAIVPPG-UHFFFAOYSA-N -1 3 368.784 3.458 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc(C)c(OCC)c1 ZINC000736625398 598822416 /nfs/dbraw/zinc/82/24/16/598822416.db2.gz FMPRVGLSOVPRCX-UHFFFAOYSA-N -1 3 367.409 3.225 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(C)c(OCC)c1 ZINC000736625398 598822417 /nfs/dbraw/zinc/82/24/17/598822417.db2.gz FMPRVGLSOVPRCX-UHFFFAOYSA-N -1 3 367.409 3.225 20 0 FGADHM CCCNC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000821114605 599297369 /nfs/dbraw/zinc/29/73/69/599297369.db2.gz ZFEHONCCXUAUIC-UHFFFAOYSA-N -1 3 356.361 3.330 20 0 FGADHM CCCNC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000821114605 599297371 /nfs/dbraw/zinc/29/73/71/599297371.db2.gz ZFEHONCCXUAUIC-UHFFFAOYSA-N -1 3 356.361 3.330 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1CNc1ccccc1N1CCCCC1 ZINC000821737237 607369199 /nfs/dbraw/zinc/36/91/99/607369199.db2.gz SHBNSCCQUVLSIJ-UHFFFAOYSA-N -1 3 364.453 3.478 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1CNc1ccccc1N1CCCCC1 ZINC000821737237 607369201 /nfs/dbraw/zinc/36/92/01/607369201.db2.gz SHBNSCCQUVLSIJ-UHFFFAOYSA-N -1 3 364.453 3.478 20 0 FGADHM CNC(=O)c1ccc(CS[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736877796 599326478 /nfs/dbraw/zinc/32/64/78/599326478.db2.gz ONACWQBSTDQMEL-GFCCVEGCSA-N -1 3 353.451 3.221 20 0 FGADHM CNC(=O)c1ccc(CS[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736877796 599326481 /nfs/dbraw/zinc/32/64/81/599326481.db2.gz ONACWQBSTDQMEL-GFCCVEGCSA-N -1 3 353.451 3.221 20 0 FGADHM C[C@H](S[C@H]1CCN(c2ccccc2)C1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736188038 599327753 /nfs/dbraw/zinc/32/77/53/599327753.db2.gz HILJKYVMUVPMBW-GUYCJALGSA-N -1 3 365.462 3.466 20 0 FGADHM C[C@H](S[C@H]1CCN(c2ccccc2)C1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736188038 599327756 /nfs/dbraw/zinc/32/77/56/599327756.db2.gz HILJKYVMUVPMBW-GUYCJALGSA-N -1 3 365.462 3.466 20 0 FGADHM C[C@@H](S[C@@H](C)C(=O)NC1CCCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736188565 599330540 /nfs/dbraw/zinc/33/05/40/599330540.db2.gz LDDOLUSJGMUEHR-OLZOCXBDSA-N -1 3 359.499 3.498 20 0 FGADHM C[C@@H](S[C@@H](C)C(=O)NC1CCCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736188565 599330543 /nfs/dbraw/zinc/33/05/43/599330543.db2.gz LDDOLUSJGMUEHR-OLZOCXBDSA-N -1 3 359.499 3.498 20 0 FGADHM Cc1ccnc(-c2ccc(NCCOc3cccc(-c4nnn[n-]4)c3)cc2)n1 ZINC000737436149 599330719 /nfs/dbraw/zinc/33/07/19/599330719.db2.gz FRPHBFQZAMLIHF-UHFFFAOYSA-N -1 3 373.420 3.123 20 0 FGADHM Cc1ccnc(-c2ccc(NCCOc3cccc(-c4nn[n-]n4)c3)cc2)n1 ZINC000737436149 599330721 /nfs/dbraw/zinc/33/07/21/599330721.db2.gz FRPHBFQZAMLIHF-UHFFFAOYSA-N -1 3 373.420 3.123 20 0 FGADHM CC(C)(CNC(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1cccc(F)c1 ZINC000735670178 599332009 /nfs/dbraw/zinc/33/20/09/599332009.db2.gz HLVSQTDSPAQMRF-UHFFFAOYSA-N -1 3 354.389 3.105 20 0 FGADHM CC(C)(CNC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1cccc(F)c1 ZINC000735670178 599332013 /nfs/dbraw/zinc/33/20/13/599332013.db2.gz HLVSQTDSPAQMRF-UHFFFAOYSA-N -1 3 354.389 3.105 20 0 FGADHM O=C(NCc1ccccc1OC1CCC1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000738124973 599334019 /nfs/dbraw/zinc/33/40/19/599334019.db2.gz YFIRJIKUWGIQQY-UHFFFAOYSA-N -1 3 364.409 3.120 20 0 FGADHM O=C(NCc1ccccc1OC1CCC1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000738124973 599334021 /nfs/dbraw/zinc/33/40/21/599334021.db2.gz YFIRJIKUWGIQQY-UHFFFAOYSA-N -1 3 364.409 3.120 20 0 FGADHM O=C(OCc1ccccc1-c1nnn[n-]1)c1ccccc1OC1CCC1 ZINC000738235734 599337215 /nfs/dbraw/zinc/33/72/15/599337215.db2.gz WJOQXECTYFVZQN-UHFFFAOYSA-N -1 3 350.378 3.155 20 0 FGADHM O=C(OCc1ccccc1-c1nn[n-]n1)c1ccccc1OC1CCC1 ZINC000738235734 599337220 /nfs/dbraw/zinc/33/72/20/599337220.db2.gz WJOQXECTYFVZQN-UHFFFAOYSA-N -1 3 350.378 3.155 20 0 FGADHM C[C@@H](c1ccccc1)N(C)C(=O)CSc1ccccc1-c1nnn[n-]1 ZINC000820563283 599344446 /nfs/dbraw/zinc/34/44/46/599344446.db2.gz PMHFGWBMBJHXBM-ZDUSSCGKSA-N -1 3 353.451 3.178 20 0 FGADHM C[C@@H](c1ccccc1)N(C)C(=O)CSc1ccccc1-c1nn[n-]n1 ZINC000820563283 599344448 /nfs/dbraw/zinc/34/44/48/599344448.db2.gz PMHFGWBMBJHXBM-ZDUSSCGKSA-N -1 3 353.451 3.178 20 0 FGADHM Cc1ccc(CN(C(=O)CSc2ccccc2-c2nnn[n-]2)C2CC2)o1 ZINC000822236080 599350400 /nfs/dbraw/zinc/35/04/00/599350400.db2.gz JEJAQEDPMPFHMM-UHFFFAOYSA-N -1 3 369.450 3.051 20 0 FGADHM Cc1ccc(CN(C(=O)CSc2ccccc2-c2nn[n-]n2)C2CC2)o1 ZINC000822236080 599350402 /nfs/dbraw/zinc/35/04/02/599350402.db2.gz JEJAQEDPMPFHMM-UHFFFAOYSA-N -1 3 369.450 3.051 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1CNc1c(C)cccc1OC(F)F ZINC000821731393 607370490 /nfs/dbraw/zinc/37/04/90/607370490.db2.gz CNMIICWQXSLMMP-UHFFFAOYSA-N -1 3 361.352 3.397 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1CNc1c(C)cccc1OC(F)F ZINC000821731393 607370492 /nfs/dbraw/zinc/37/04/92/607370492.db2.gz CNMIICWQXSLMMP-UHFFFAOYSA-N -1 3 361.352 3.397 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1CNc1cc(NC(C)=O)ccc1Cl ZINC000821732778 607371200 /nfs/dbraw/zinc/37/12/00/607371200.db2.gz UEBUFJNEYOIGPP-UHFFFAOYSA-N -1 3 372.816 3.099 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1CNc1cc(NC(C)=O)ccc1Cl ZINC000821732778 607371202 /nfs/dbraw/zinc/37/12/02/607371202.db2.gz UEBUFJNEYOIGPP-UHFFFAOYSA-N -1 3 372.816 3.099 20 0 FGADHM C[C@@H](CC(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@@H](C)C2)n1cccc1 ZINC000736280909 599368805 /nfs/dbraw/zinc/36/88/05/599368805.db2.gz RGLFBGPZRKMJPK-NEPJUHHUSA-N -1 3 370.482 3.444 20 0 FGADHM C[C@@H](CC(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@@H](C)C2)n1cccc1 ZINC000736280909 599368808 /nfs/dbraw/zinc/36/88/08/599368808.db2.gz RGLFBGPZRKMJPK-NEPJUHHUSA-N -1 3 370.482 3.444 20 0 FGADHM C[C@H](Nc1cc(F)cc(N2CCOCC2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820456306 599373119 /nfs/dbraw/zinc/37/31/19/599373119.db2.gz RVPZLVVXEHCOFM-ZDUSSCGKSA-N -1 3 368.416 3.016 20 0 FGADHM C[C@H](Nc1cc(F)cc(N2CCOCC2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820456306 599373121 /nfs/dbraw/zinc/37/31/21/599373121.db2.gz RVPZLVVXEHCOFM-ZDUSSCGKSA-N -1 3 368.416 3.016 20 0 FGADHM COC(=O)[C@H](N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1cccc(Cl)c1 ZINC000821640946 599390477 /nfs/dbraw/zinc/39/04/77/599390477.db2.gz SJIGCPANNZXOAR-MEDUHNTESA-N -1 3 371.828 3.085 20 0 FGADHM COC(=O)[C@H](N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1cccc(Cl)c1 ZINC000821640946 599390480 /nfs/dbraw/zinc/39/04/80/599390480.db2.gz SJIGCPANNZXOAR-MEDUHNTESA-N -1 3 371.828 3.085 20 0 FGADHM C[C@H](NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F)c1cccc(Cl)c1 ZINC000820368316 599398958 /nfs/dbraw/zinc/39/89/58/599398958.db2.gz ZZWYAMZFQUKWAS-JTQLQIEISA-N -1 3 374.807 3.220 20 0 FGADHM C[C@H](NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F)c1cccc(Cl)c1 ZINC000820368316 599398962 /nfs/dbraw/zinc/39/89/62/599398962.db2.gz ZZWYAMZFQUKWAS-JTQLQIEISA-N -1 3 374.807 3.220 20 0 FGADHM CCOC(=O)N[C@@H](CNc1cc(Cl)ccc1-c1nnn[n-]1)CC(C)C ZINC000736601473 599405845 /nfs/dbraw/zinc/40/58/45/599405845.db2.gz YNIDOQBHYHSSAM-GFCCVEGCSA-N -1 3 366.853 3.093 20 0 FGADHM CCOC(=O)N[C@@H](CNc1cc(Cl)ccc1-c1nn[n-]n1)CC(C)C ZINC000736601473 599405847 /nfs/dbraw/zinc/40/58/47/599405847.db2.gz YNIDOQBHYHSSAM-GFCCVEGCSA-N -1 3 366.853 3.093 20 0 FGADHM c1cc(-c2nnn[n-]2)oc1CNCc1ccc(OCc2ccccc2)cc1 ZINC000823787680 599408200 /nfs/dbraw/zinc/40/82/00/599408200.db2.gz PAUWYMZYVFTFFM-UHFFFAOYSA-N -1 3 361.405 3.329 20 0 FGADHM Cc1ccc2nc(CNc3ccc(OC(C)C)c(-c4nnn[n-]4)c3)cn2c1 ZINC000822280032 607375492 /nfs/dbraw/zinc/37/54/92/607375492.db2.gz HYRWGWKGWPWZAD-UHFFFAOYSA-N -1 3 363.425 3.222 20 0 FGADHM Cc1ccc2nc(CNc3ccc(OC(C)C)c(-c4nn[n-]n4)c3)cn2c1 ZINC000822280032 607375494 /nfs/dbraw/zinc/37/54/94/607375494.db2.gz HYRWGWKGWPWZAD-UHFFFAOYSA-N -1 3 363.425 3.222 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1COc1ccc2ccccc2c1C=O ZINC000821749713 607375669 /nfs/dbraw/zinc/37/56/69/607375669.db2.gz VKMXVSUDCXRNIE-UHFFFAOYSA-N -1 3 360.373 3.420 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1COc1ccc2ccccc2c1C=O ZINC000821749713 607375671 /nfs/dbraw/zinc/37/56/71/607375671.db2.gz VKMXVSUDCXRNIE-UHFFFAOYSA-N -1 3 360.373 3.420 20 0 FGADHM Clc1ccc(-c2nnn[n-]2)c(NCc2ccccc2-n2cccn2)c1 ZINC000737570139 599420001 /nfs/dbraw/zinc/42/00/01/599420001.db2.gz CDERXGMBPRVHAM-UHFFFAOYSA-N -1 3 351.801 3.318 20 0 FGADHM Clc1ccc(-c2nn[n-]n2)c(NCc2ccccc2-n2cccn2)c1 ZINC000737570139 599420003 /nfs/dbraw/zinc/42/00/03/599420003.db2.gz CDERXGMBPRVHAM-UHFFFAOYSA-N -1 3 351.801 3.318 20 0 FGADHM c1ccc([C@H]2CN(c3cc(-c4nnn[n-]4)c4ccccc4n3)CCCO2)cc1 ZINC000738429349 599430449 /nfs/dbraw/zinc/43/04/49/599430449.db2.gz YBMFXVSIFPYLGW-LJQANCHMSA-N -1 3 372.432 3.383 20 0 FGADHM c1ccc([C@H]2CN(c3cc(-c4nn[n-]n4)c4ccccc4n3)CCCO2)cc1 ZINC000738429349 599430452 /nfs/dbraw/zinc/43/04/52/599430452.db2.gz YBMFXVSIFPYLGW-LJQANCHMSA-N -1 3 372.432 3.383 20 0 FGADHM CCC[C@@H](NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccn1 ZINC000821023009 599435920 /nfs/dbraw/zinc/43/59/20/599435920.db2.gz VEBSJSIRRCWMNJ-SUMWQHHRSA-N -1 3 365.441 3.163 20 0 FGADHM CCC[C@@H](NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccn1 ZINC000821023009 599435922 /nfs/dbraw/zinc/43/59/22/599435922.db2.gz VEBSJSIRRCWMNJ-SUMWQHHRSA-N -1 3 365.441 3.163 20 0 FGADHM CCc1nc([C@@H](C)NC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000821505924 599440519 /nfs/dbraw/zinc/44/05/19/599440519.db2.gz USBKLRLLGWHMAE-GHMZBOCLSA-N -1 3 371.470 3.007 20 0 FGADHM CCc1nc([C@@H](C)NC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000821505924 599440521 /nfs/dbraw/zinc/44/05/21/599440521.db2.gz USBKLRLLGWHMAE-GHMZBOCLSA-N -1 3 371.470 3.007 20 0 FGADHM CCC[C@@H](C)c1cc(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)n[nH]1 ZINC000821014330 599445243 /nfs/dbraw/zinc/44/52/43/599445243.db2.gz DWZFWFMGTQXUKA-LLVKDONJSA-N -1 3 371.470 3.224 20 0 FGADHM CCC[C@@H](C)c1cc(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)n[nH]1 ZINC000821014330 599445245 /nfs/dbraw/zinc/44/52/45/599445245.db2.gz DWZFWFMGTQXUKA-LLVKDONJSA-N -1 3 371.470 3.224 20 0 FGADHM CC[C@@H](NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F)c1ccc(C)cc1 ZINC000820920107 599459218 /nfs/dbraw/zinc/45/92/18/599459218.db2.gz KPPOTQUVKYLTGO-QGZVFWFLSA-N -1 3 368.416 3.265 20 0 FGADHM CC[C@@H](NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F)c1ccc(C)cc1 ZINC000820920107 599459221 /nfs/dbraw/zinc/45/92/21/599459221.db2.gz KPPOTQUVKYLTGO-QGZVFWFLSA-N -1 3 368.416 3.265 20 0 FGADHM O=C(CCc1cc(Cl)cs1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737851040 599466850 /nfs/dbraw/zinc/46/68/50/599466850.db2.gz DGSASNGZMZJICO-UHFFFAOYSA-N -1 3 351.794 3.292 20 0 FGADHM O=C(CCc1cc(Cl)cs1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737851040 599466851 /nfs/dbraw/zinc/46/68/51/599466851.db2.gz DGSASNGZMZJICO-UHFFFAOYSA-N -1 3 351.794 3.292 20 0 FGADHM C[C@H](NC(=O)N(C)Cc1ccc(Cl)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820339660 599473419 /nfs/dbraw/zinc/47/34/19/599473419.db2.gz FTVZDQYFNIEPJQ-LBPRGKRZSA-N -1 3 370.844 3.423 20 0 FGADHM C[C@H](NC(=O)N(C)Cc1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820339660 599473422 /nfs/dbraw/zinc/47/34/22/599473422.db2.gz FTVZDQYFNIEPJQ-LBPRGKRZSA-N -1 3 370.844 3.423 20 0 FGADHM C[C@@H](NC(=O)N[C@H]1CCCc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820359313 599474196 /nfs/dbraw/zinc/47/41/96/599474196.db2.gz SCOZKOZVZAKILC-ACJLOTCBSA-N -1 3 362.437 3.305 20 0 FGADHM C[C@@H](NC(=O)N[C@H]1CCCc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820359313 599474200 /nfs/dbraw/zinc/47/42/00/599474200.db2.gz SCOZKOZVZAKILC-ACJLOTCBSA-N -1 3 362.437 3.305 20 0 FGADHM C[C@@H](NC(=O)N1CCc2sccc2[C@H]1C)c1cccc(-c2nnn[n-]2)c1 ZINC000820353077 599478522 /nfs/dbraw/zinc/47/85/22/599478522.db2.gz XUUGRPZZPJTWNN-VXGBXAGGSA-N -1 3 368.466 3.318 20 0 FGADHM C[C@@H](NC(=O)N1CCc2sccc2[C@H]1C)c1cccc(-c2nn[n-]n2)c1 ZINC000820353077 599478524 /nfs/dbraw/zinc/47/85/24/599478524.db2.gz XUUGRPZZPJTWNN-VXGBXAGGSA-N -1 3 368.466 3.318 20 0 FGADHM CCc1ccc(CN(C)C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821486281 599479901 /nfs/dbraw/zinc/47/99/01/599479901.db2.gz BHPYMFWCHBBQOU-AWEZNQCLSA-N -1 3 364.453 3.332 20 0 FGADHM CCc1ccc(CN(C)C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821486281 599479904 /nfs/dbraw/zinc/47/99/04/599479904.db2.gz BHPYMFWCHBBQOU-AWEZNQCLSA-N -1 3 364.453 3.332 20 0 FGADHM Cc1ccc(CN(C)C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)s1 ZINC000822236458 599486351 /nfs/dbraw/zinc/48/63/51/599486351.db2.gz ZYSCGPIYKAVPBU-LBPRGKRZSA-N -1 3 356.455 3.139 20 0 FGADHM Cc1ccc(CN(C)C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)s1 ZINC000822236458 599486354 /nfs/dbraw/zinc/48/63/54/599486354.db2.gz ZYSCGPIYKAVPBU-LBPRGKRZSA-N -1 3 356.455 3.139 20 0 FGADHM CC(C)CN(C(=O)CC[C@@H]1CC[C@@H](C)O1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820081697 599493910 /nfs/dbraw/zinc/49/39/10/599493910.db2.gz RHWPMIFXDVSUBD-PBHICJAKSA-N -1 3 357.458 3.203 20 0 FGADHM CC(C)CN(C(=O)CC[C@@H]1CC[C@@H](C)O1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820081697 599493912 /nfs/dbraw/zinc/49/39/12/599493912.db2.gz RHWPMIFXDVSUBD-PBHICJAKSA-N -1 3 357.458 3.203 20 0 FGADHM CCO[C@H]1CCCN(c2c(-c3nnn[n-]3)cnc3c(C)cc(C)cc32)C1 ZINC000821368077 599495395 /nfs/dbraw/zinc/49/53/95/599495395.db2.gz QXRBKAWWGBCSDX-AWEZNQCLSA-N -1 3 352.442 3.037 20 0 FGADHM CCO[C@H]1CCCN(c2c(-c3nn[n-]n3)cnc3c(C)cc(C)cc32)C1 ZINC000821368077 599495398 /nfs/dbraw/zinc/49/53/98/599495398.db2.gz QXRBKAWWGBCSDX-AWEZNQCLSA-N -1 3 352.442 3.037 20 0 FGADHM C[C@H](Nc1ccc(F)cc1-c1nnn[n-]1)c1cccc(N2CCCC2=O)c1 ZINC000820455112 599496789 /nfs/dbraw/zinc/49/67/89/599496789.db2.gz DFEMTALKVYHRCE-LBPRGKRZSA-N -1 3 366.400 3.306 20 0 FGADHM C[C@H](Nc1ccc(F)cc1-c1nn[n-]n1)c1cccc(N2CCCC2=O)c1 ZINC000820455112 599496790 /nfs/dbraw/zinc/49/67/90/599496790.db2.gz DFEMTALKVYHRCE-LBPRGKRZSA-N -1 3 366.400 3.306 20 0 FGADHM O=C(OCCCOc1ccc(-c2nn[n-]n2)cc1)c1cc2occc2s1 ZINC000738223184 599499924 /nfs/dbraw/zinc/49/99/24/599499924.db2.gz SVTOGKVTQNECMI-UHFFFAOYSA-N -1 3 370.390 3.300 20 0 FGADHM O=C(CCc1cc(Cl)cs1)OCc1ccc(-c2nnn[n-]2)cc1F ZINC000737851011 599500283 /nfs/dbraw/zinc/50/02/83/599500283.db2.gz CYVUTFCEVUBAFW-UHFFFAOYSA-N -1 3 366.805 3.397 20 0 FGADHM O=C(CCc1cc(Cl)cs1)OCc1ccc(-c2nn[n-]n2)cc1F ZINC000737851011 599500284 /nfs/dbraw/zinc/50/02/84/599500284.db2.gz CYVUTFCEVUBAFW-UHFFFAOYSA-N -1 3 366.805 3.397 20 0 FGADHM Cc1ccc(OCCC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c(C)c1 ZINC000822263454 599500440 /nfs/dbraw/zinc/50/04/40/599500440.db2.gz PDJRTJSCBPHGQF-OAHLLOKOSA-N -1 3 365.437 3.130 20 0 FGADHM Cc1ccc(OCCC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c(C)c1 ZINC000822263454 599500442 /nfs/dbraw/zinc/50/04/42/599500442.db2.gz PDJRTJSCBPHGQF-OAHLLOKOSA-N -1 3 365.437 3.130 20 0 FGADHM C[C@H](NC(=O)NC(C)(C)c1cccc(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736112256 599500682 /nfs/dbraw/zinc/50/06/82/599500682.db2.gz HPZGOEJUSUXJEL-LBPRGKRZSA-N -1 3 368.416 3.301 20 0 FGADHM C[C@H](NC(=O)NC(C)(C)c1cccc(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736112256 599500684 /nfs/dbraw/zinc/50/06/84/599500684.db2.gz HPZGOEJUSUXJEL-LBPRGKRZSA-N -1 3 368.416 3.301 20 0 FGADHM C[C@H](NC(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820321423 599503619 /nfs/dbraw/zinc/50/36/19/599503619.db2.gz FZPCQKHQEYWTGQ-VQISRLSMSA-N -1 3 369.375 3.126 20 0 FGADHM C[C@H](NC(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820321423 599503620 /nfs/dbraw/zinc/50/36/20/599503620.db2.gz FZPCQKHQEYWTGQ-VQISRLSMSA-N -1 3 369.375 3.126 20 0 FGADHM C[C@@H](NC(=O)[C@H](C)Oc1cccc(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820533588 599504154 /nfs/dbraw/zinc/50/41/54/599504154.db2.gz GMVZSSSPMNFFCJ-NEPJUHHUSA-N -1 3 371.828 3.165 20 0 FGADHM C[C@@H](NC(=O)[C@H](C)Oc1cccc(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820533588 599504156 /nfs/dbraw/zinc/50/41/56/599504156.db2.gz GMVZSSSPMNFFCJ-NEPJUHHUSA-N -1 3 371.828 3.165 20 0 FGADHM Cc1nc(-c2ccccc2)[nH]c1C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822005993 599505504 /nfs/dbraw/zinc/50/55/04/599505504.db2.gz WIELAKKCNZNEQV-LBPRGKRZSA-N -1 3 373.420 3.056 20 0 FGADHM Cc1nc(-c2ccccc2)[nH]c1C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822005993 599505506 /nfs/dbraw/zinc/50/55/06/599505506.db2.gz WIELAKKCNZNEQV-LBPRGKRZSA-N -1 3 373.420 3.056 20 0 FGADHM C[C@H](CC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1F ZINC000820226042 599510366 /nfs/dbraw/zinc/51/03/66/599510366.db2.gz STEYJFMUPJOJNM-CHWSQXEVSA-N -1 3 353.401 3.377 20 0 FGADHM C[C@H](CC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1F ZINC000820226042 599510369 /nfs/dbraw/zinc/51/03/69/599510369.db2.gz STEYJFMUPJOJNM-CHWSQXEVSA-N -1 3 353.401 3.377 20 0 FGADHM C[C@@H](NC(=O)c1csc(C(C)(C)C)n1)c1cccc(-c2nnn[n-]2)c1 ZINC000820403799 599512215 /nfs/dbraw/zinc/51/22/15/599512215.db2.gz MUAASHDNZLCPKD-SNVBAGLBSA-N -1 3 356.455 3.112 20 0 FGADHM C[C@@H](NC(=O)c1csc(C(C)(C)C)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000820403799 599512218 /nfs/dbraw/zinc/51/22/18/599512218.db2.gz MUAASHDNZLCPKD-SNVBAGLBSA-N -1 3 356.455 3.112 20 0 FGADHM C[C@H](CC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1cccc(F)c1 ZINC000820218862 599513504 /nfs/dbraw/zinc/51/35/04/599513504.db2.gz AVYUKSPWEMJIPO-OLZOCXBDSA-N -1 3 353.401 3.377 20 0 FGADHM C[C@H](CC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1cccc(F)c1 ZINC000820218862 599513505 /nfs/dbraw/zinc/51/35/05/599513505.db2.gz AVYUKSPWEMJIPO-OLZOCXBDSA-N -1 3 353.401 3.377 20 0 FGADHM C[C@H](SC[C@H](O)COc1ccc(-c2nn[n-]n2)cc1)c1cccs1 ZINC000736188536 599521866 /nfs/dbraw/zinc/52/18/66/599521866.db2.gz KVKLOJSGCWNKMX-WCQYABFASA-N -1 3 362.480 3.162 20 0 FGADHM O[C@H](CNc1ccc(-c2nn[n-]n2)cc1C(F)(F)F)C1CCCCC1 ZINC000738385186 599525702 /nfs/dbraw/zinc/52/57/02/599525702.db2.gz WSIMDMMJMWSYSY-CQSZACIVSA-N -1 3 355.364 3.239 20 0 FGADHM CC(C)COc1ccccc1C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820103044 599528029 /nfs/dbraw/zinc/52/80/29/599528029.db2.gz OEVVKBKTXCAWQS-AWEZNQCLSA-N -1 3 365.437 3.393 20 0 FGADHM CC(C)COc1ccccc1C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820103044 599528032 /nfs/dbraw/zinc/52/80/32/599528032.db2.gz OEVVKBKTXCAWQS-AWEZNQCLSA-N -1 3 365.437 3.393 20 0 FGADHM Cc1ccccc1[C@@H]1C[C@H](C)N(c2nc3c(cc2-c2nnn[n-]2)CCC3)C1 ZINC000737425160 599529109 /nfs/dbraw/zinc/52/91/09/599529109.db2.gz ZOVWECSYCGCMGS-GOEBONIOSA-N -1 3 360.465 3.441 20 0 FGADHM Cc1ccccc1[C@@H]1C[C@H](C)N(c2nc3c(cc2-c2nn[n-]n2)CCC3)C1 ZINC000737425160 599529112 /nfs/dbraw/zinc/52/91/12/599529112.db2.gz ZOVWECSYCGCMGS-GOEBONIOSA-N -1 3 360.465 3.441 20 0 FGADHM CCOc1cc(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)ccc1C ZINC000821394547 599529844 /nfs/dbraw/zinc/52/98/44/599529844.db2.gz LGSDQUVDMALUKJ-CYBMUJFWSA-N -1 3 351.410 3.065 20 0 FGADHM CCOc1cc(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)ccc1C ZINC000821394547 599529847 /nfs/dbraw/zinc/52/98/47/599529847.db2.gz LGSDQUVDMALUKJ-CYBMUJFWSA-N -1 3 351.410 3.065 20 0 FGADHM CC(C)c1cccc(OCC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000820197852 599535017 /nfs/dbraw/zinc/53/50/17/599535017.db2.gz OAICSTHUFQGPPZ-AWEZNQCLSA-N -1 3 365.437 3.246 20 0 FGADHM CC(C)c1cccc(OCC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000820197852 599535020 /nfs/dbraw/zinc/53/50/20/599535020.db2.gz OAICSTHUFQGPPZ-AWEZNQCLSA-N -1 3 365.437 3.246 20 0 FGADHM C[C@H]1c2c(F)cccc2CCN1C(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000736305660 599536708 /nfs/dbraw/zinc/53/67/08/599536708.db2.gz YMFAHDLMVJIINC-NSHDSACASA-N -1 3 368.441 3.322 20 0 FGADHM C[C@H]1c2c(F)cccc2CCN1C(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000736305660 599536709 /nfs/dbraw/zinc/53/67/09/599536709.db2.gz YMFAHDLMVJIINC-NSHDSACASA-N -1 3 368.441 3.322 20 0 FGADHM Cc1cc(OCC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)ccc1Cl ZINC000822210720 599540518 /nfs/dbraw/zinc/54/05/18/599540518.db2.gz OPJOPNRBNDFZSH-GFCCVEGCSA-N -1 3 371.828 3.085 20 0 FGADHM Cc1cc(OCC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)ccc1Cl ZINC000822210720 599540520 /nfs/dbraw/zinc/54/05/20/599540520.db2.gz OPJOPNRBNDFZSH-GFCCVEGCSA-N -1 3 371.828 3.085 20 0 FGADHM C[C@H](C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1)c1ccsc1 ZINC000735513422 599541124 /nfs/dbraw/zinc/54/11/24/599541124.db2.gz NFFPPEKHELVWGX-LBPRGKRZSA-N -1 3 353.451 3.223 20 0 FGADHM C[C@H](C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1)c1ccsc1 ZINC000735513422 599541126 /nfs/dbraw/zinc/54/11/26/599541126.db2.gz NFFPPEKHELVWGX-LBPRGKRZSA-N -1 3 353.451 3.223 20 0 FGADHM C[C@H](Cc1ccccc1F)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000736058375 599541282 /nfs/dbraw/zinc/54/12/82/599541282.db2.gz LUMMATXECJHSND-SNVBAGLBSA-N -1 3 359.792 3.477 20 0 FGADHM C[C@H](Cc1ccccc1F)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000736058375 599541283 /nfs/dbraw/zinc/54/12/83/599541283.db2.gz LUMMATXECJHSND-SNVBAGLBSA-N -1 3 359.792 3.477 20 0 FGADHM Cc1cc(COC(=O)c2ccc(-c3nnn[n-]3)cc2C)c2ccccc2n1 ZINC000826267392 607383219 /nfs/dbraw/zinc/38/32/19/607383219.db2.gz CYFOINFBULDRRO-UHFFFAOYSA-N -1 3 359.389 3.389 20 0 FGADHM Cc1cc(COC(=O)c2ccc(-c3nn[n-]n3)cc2C)c2ccccc2n1 ZINC000826267392 607383221 /nfs/dbraw/zinc/38/32/21/607383221.db2.gz CYFOINFBULDRRO-UHFFFAOYSA-N -1 3 359.389 3.389 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCc1csc(-c2ccco2)n1 ZINC000826252855 607383306 /nfs/dbraw/zinc/38/33/06/607383306.db2.gz VOJRYUNRHUYHRM-UHFFFAOYSA-N -1 3 367.390 3.249 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCc1csc(-c2ccco2)n1 ZINC000826252855 607383308 /nfs/dbraw/zinc/38/33/08/607383308.db2.gz VOJRYUNRHUYHRM-UHFFFAOYSA-N -1 3 367.390 3.249 20 0 FGADHM C[C@H](C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)c1ccsc1 ZINC000735552267 599543311 /nfs/dbraw/zinc/54/33/11/599543311.db2.gz WWWVZLBQNJNSCT-QMMMGPOBSA-N -1 3 365.365 3.272 20 0 FGADHM C[C@H](C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)c1ccsc1 ZINC000735552267 599543313 /nfs/dbraw/zinc/54/33/13/599543313.db2.gz WWWVZLBQNJNSCT-QMMMGPOBSA-N -1 3 365.365 3.272 20 0 FGADHM CC(C)(C)CCC(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735604393 599544167 /nfs/dbraw/zinc/54/41/67/599544167.db2.gz VPRBUGBBDWQIQW-UHFFFAOYSA-N -1 3 357.458 3.063 20 0 FGADHM O[C@@H](c1ccc(F)cc1)C1CCN(c2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000823696645 599545658 /nfs/dbraw/zinc/54/56/58/599545658.db2.gz FZAWHGILARSMBE-SFHVURJKSA-N -1 3 371.391 3.095 20 0 FGADHM O[C@@H](c1ccc(F)cc1)C1CCN(c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000823696645 599545659 /nfs/dbraw/zinc/54/56/59/599545659.db2.gz FZAWHGILARSMBE-SFHVURJKSA-N -1 3 371.391 3.095 20 0 FGADHM CC[C@@H]1CN(c2c(-c3nnn[n-]3)cnc3c(C)cc(C)cc32)C[C@H](C)O1 ZINC000820995189 599549092 /nfs/dbraw/zinc/54/90/92/599549092.db2.gz NPZYIBVABMJHJP-UONOGXRCSA-N -1 3 352.442 3.035 20 0 FGADHM CC[C@@H]1CN(c2c(-c3nn[n-]n3)cnc3c(C)cc(C)cc32)C[C@H](C)O1 ZINC000820995189 599549094 /nfs/dbraw/zinc/54/90/94/599549094.db2.gz NPZYIBVABMJHJP-UONOGXRCSA-N -1 3 352.442 3.035 20 0 FGADHM O=C(N[C@H]1CCC[C@@H]1Cc1ccccc1)c1sccc1-c1nnn[n-]1 ZINC000738022409 599550132 /nfs/dbraw/zinc/55/01/32/599550132.db2.gz CZEOGHQKTDJUKM-HIFRSBDPSA-N -1 3 353.451 3.069 20 0 FGADHM O=C(N[C@H]1CCC[C@@H]1Cc1ccccc1)c1sccc1-c1nn[n-]n1 ZINC000738022409 599550134 /nfs/dbraw/zinc/55/01/34/599550134.db2.gz CZEOGHQKTDJUKM-HIFRSBDPSA-N -1 3 353.451 3.069 20 0 FGADHM CC[C@H](NC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C)c1ccncc1 ZINC000820919850 599550478 /nfs/dbraw/zinc/55/04/78/599550478.db2.gz GXNIKARFVLYGLJ-AWEZNQCLSA-N -1 3 368.445 3.091 20 0 FGADHM CC[C@H](NC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C)c1ccncc1 ZINC000820919850 599550480 /nfs/dbraw/zinc/55/04/80/599550480.db2.gz GXNIKARFVLYGLJ-AWEZNQCLSA-N -1 3 368.445 3.091 20 0 FGADHM Cc1ccc(C[C@@H](C)NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000737334538 599551207 /nfs/dbraw/zinc/55/12/07/599551207.db2.gz IFRSOBJYWYCVGD-LLVKDONJSA-N -1 3 373.507 3.076 20 0 FGADHM Cc1ccc(C[C@@H](C)NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000737334538 599551209 /nfs/dbraw/zinc/55/12/09/599551209.db2.gz IFRSOBJYWYCVGD-LLVKDONJSA-N -1 3 373.507 3.076 20 0 FGADHM C[C@H]1c2ccc(F)cc2CCN1C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000736304905 599555975 /nfs/dbraw/zinc/55/59/75/599555975.db2.gz WLFWUQVCYFFYLO-ZDUSSCGKSA-N -1 3 365.412 3.084 20 0 FGADHM C[C@H]1c2ccc(F)cc2CCN1C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000736304905 599555978 /nfs/dbraw/zinc/55/59/78/599555978.db2.gz WLFWUQVCYFFYLO-ZDUSSCGKSA-N -1 3 365.412 3.084 20 0 FGADHM C[C@H]1CSCCN1C(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000736294934 599557350 /nfs/dbraw/zinc/55/73/50/599557350.db2.gz WJISXASXPSESDS-ZDUSSCGKSA-N -1 3 365.462 3.111 20 0 FGADHM C[C@H]1CSCCN1C(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000736294934 599557353 /nfs/dbraw/zinc/55/73/53/599557353.db2.gz WJISXASXPSESDS-ZDUSSCGKSA-N -1 3 365.462 3.111 20 0 FGADHM Cc1ccc(N[C@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1F ZINC000737359942 599562764 /nfs/dbraw/zinc/56/27/64/599562764.db2.gz ITEAMANSMOCVRF-SNVBAGLBSA-N -1 3 374.807 3.407 20 0 FGADHM Cc1ccc(N[C@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1F ZINC000737359942 599562765 /nfs/dbraw/zinc/56/27/65/599562765.db2.gz ITEAMANSMOCVRF-SNVBAGLBSA-N -1 3 374.807 3.407 20 0 FGADHM Cc1occc1CNC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737556096 599565458 /nfs/dbraw/zinc/56/54/58/599565458.db2.gz DHRCBCGDEMBDGF-UHFFFAOYSA-N -1 3 374.404 3.442 20 0 FGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N[C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000738179342 599600475 /nfs/dbraw/zinc/60/04/75/599600475.db2.gz RMRNBZWTWBWXTA-CRAIPNDOSA-N -1 3 362.437 3.400 20 0 FGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N[C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000738179342 599600477 /nfs/dbraw/zinc/60/04/77/599600477.db2.gz RMRNBZWTWBWXTA-CRAIPNDOSA-N -1 3 362.437 3.400 20 0 FGADHM CC[C@@H](OC(=O)CCc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccccc1 ZINC000736381545 599604870 /nfs/dbraw/zinc/60/48/70/599604870.db2.gz IUVISCOEXRFIFY-QGZVFWFLSA-N -1 3 364.405 3.004 20 0 FGADHM CC[C@@H](OC(=O)CCc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccccc1 ZINC000736381545 599604871 /nfs/dbraw/zinc/60/48/71/599604871.db2.gz IUVISCOEXRFIFY-QGZVFWFLSA-N -1 3 364.405 3.004 20 0 FGADHM C[C@H](CCc1ccccc1F)C(=O)OCc1cccc(-c2nnn[n-]2)c1 ZINC000820253205 599623743 /nfs/dbraw/zinc/62/37/43/599623743.db2.gz GVGMNFQIEPQANZ-CYBMUJFWSA-N -1 3 354.385 3.318 20 0 FGADHM C[C@H](CCc1ccccc1F)C(=O)OCc1cccc(-c2nn[n-]n2)c1 ZINC000820253205 599623744 /nfs/dbraw/zinc/62/37/44/599623744.db2.gz GVGMNFQIEPQANZ-CYBMUJFWSA-N -1 3 354.385 3.318 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)[C@@H]1CC1(Cl)Cl ZINC000823303693 599634188 /nfs/dbraw/zinc/63/41/88/599634188.db2.gz REXYCOHDMIUGKU-QMMMGPOBSA-N -1 3 366.130 3.018 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)[C@@H]1CC1(Cl)Cl ZINC000823303693 599634189 /nfs/dbraw/zinc/63/41/89/599634189.db2.gz REXYCOHDMIUGKU-QMMMGPOBSA-N -1 3 366.130 3.018 20 0 FGADHM Cc1ccc2c(CCC(=O)N[C@@H](C)c3cccc(-c4nnn[n-]4)c3)c[nH]c2c1 ZINC000822274656 599652161 /nfs/dbraw/zinc/65/21/61/599652161.db2.gz DUFOGKSWSGHSEK-AWEZNQCLSA-N -1 3 374.448 3.466 20 0 FGADHM Cc1ccc2c(CCC(=O)N[C@@H](C)c3cccc(-c4nn[n-]n4)c3)c[nH]c2c1 ZINC000822274656 599652162 /nfs/dbraw/zinc/65/21/62/599652162.db2.gz DUFOGKSWSGHSEK-AWEZNQCLSA-N -1 3 374.448 3.466 20 0 FGADHM CCCCCC[C@@H](C)C(=O)OCC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000821049521 599664971 /nfs/dbraw/zinc/66/49/71/599664971.db2.gz KPLMJHADDYVMCP-LLVKDONJSA-N -1 3 365.459 3.016 20 0 FGADHM CCCCCC[C@@H](C)C(=O)OCC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000821049521 599664972 /nfs/dbraw/zinc/66/49/72/599664972.db2.gz KPLMJHADDYVMCP-LLVKDONJSA-N -1 3 365.459 3.016 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)c1cc2cccc(F)c2o1 ZINC000823426641 599665605 /nfs/dbraw/zinc/66/56/05/599665605.db2.gz MRNHFFODPXPWPY-UHFFFAOYSA-N -1 3 356.288 3.248 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)c1cc2cccc(F)c2o1 ZINC000823426641 599665606 /nfs/dbraw/zinc/66/56/06/599665606.db2.gz MRNHFFODPXPWPY-UHFFFAOYSA-N -1 3 356.288 3.248 20 0 FGADHM C[C@H](C(=O)OCCOc1ccccc1-c1nnn[n-]1)c1cccc(Cl)c1 ZINC000819884427 599665740 /nfs/dbraw/zinc/66/57/40/599665740.db2.gz WRIAXGCPNWVIMX-LBPRGKRZSA-N -1 3 372.812 3.246 20 0 FGADHM C[C@H](C(=O)OCCOc1ccccc1-c1nn[n-]n1)c1cccc(Cl)c1 ZINC000819884427 599665741 /nfs/dbraw/zinc/66/57/41/599665741.db2.gz WRIAXGCPNWVIMX-LBPRGKRZSA-N -1 3 372.812 3.246 20 0 FGADHM C[C@@]1(C(=O)OCc2ccc(F)cc2-c2nnn[n-]2)CCc2ccccc2C1 ZINC000820578233 599671438 /nfs/dbraw/zinc/67/14/38/599671438.db2.gz YOKUJEXXKRGDFL-HXUWFJFHSA-N -1 3 366.396 3.244 20 0 FGADHM C[C@@]1(C(=O)OCc2ccc(F)cc2-c2nn[n-]n2)CCc2ccccc2C1 ZINC000820578233 599671439 /nfs/dbraw/zinc/67/14/39/599671439.db2.gz YOKUJEXXKRGDFL-HXUWFJFHSA-N -1 3 366.396 3.244 20 0 FGADHM Cc1ccc(CN(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)C2CC2)o1 ZINC000822236039 599680936 /nfs/dbraw/zinc/68/09/36/599680936.db2.gz HNPZGJBTHOQXKO-ZDUSSCGKSA-N -1 3 366.425 3.203 20 0 FGADHM Cc1ccc(CN(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)C2CC2)o1 ZINC000822236039 599680937 /nfs/dbraw/zinc/68/09/37/599680937.db2.gz HNPZGJBTHOQXKO-ZDUSSCGKSA-N -1 3 366.425 3.203 20 0 FGADHM C[C@@H](NC(=O)N1CC2(CC2)c2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820339834 599681719 /nfs/dbraw/zinc/68/17/19/599681719.db2.gz GWBDITFEDVGEAM-CYBMUJFWSA-N -1 3 360.421 3.189 20 0 FGADHM C[C@@H](NC(=O)N1CC2(CC2)c2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820339834 599681720 /nfs/dbraw/zinc/68/17/20/599681720.db2.gz GWBDITFEDVGEAM-CYBMUJFWSA-N -1 3 360.421 3.189 20 0 FGADHM OCCC1(CNc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)CCCC1 ZINC000823718192 599687922 /nfs/dbraw/zinc/68/79/22/599687922.db2.gz RWBUCIFPUPTZLP-UHFFFAOYSA-N -1 3 355.364 3.240 20 0 FGADHM Cc1c(F)cccc1N[C@@H](C)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000822035734 599689632 /nfs/dbraw/zinc/68/96/32/599689632.db2.gz YZPMJSBHRQRBPF-JTQLQIEISA-N -1 3 374.807 3.407 20 0 FGADHM Cc1c(F)cccc1N[C@@H](C)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000822035734 599689633 /nfs/dbraw/zinc/68/96/33/599689633.db2.gz YZPMJSBHRQRBPF-JTQLQIEISA-N -1 3 374.807 3.407 20 0 FGADHM O=C([O-])[C@H](c1ccc(F)cc1)N1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000739489327 599711984 /nfs/dbraw/zinc/71/19/84/599711984.db2.gz RLQJVNKLIZWRKZ-SFHVURJKSA-N -1 3 371.412 3.238 20 0 FGADHM CC(C)(NCC(=O)Nc1sc2c(c1C(=O)[O-])CCC2)c1ccccc1 ZINC000736339431 599715253 /nfs/dbraw/zinc/71/52/53/599715253.db2.gz JVSSPRQSIMSXHB-UHFFFAOYSA-N -1 3 358.463 3.398 20 0 FGADHM CSc1cccc(NC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)c1 ZINC000826230677 607390844 /nfs/dbraw/zinc/39/08/44/607390844.db2.gz FIDHWSYTAVMESV-UHFFFAOYSA-N -1 3 366.450 3.399 20 0 FGADHM CSc1cccc(NC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)c1 ZINC000826230677 607390845 /nfs/dbraw/zinc/39/08/45/607390845.db2.gz FIDHWSYTAVMESV-UHFFFAOYSA-N -1 3 366.450 3.399 20 0 FGADHM Cc1ccsc1[C@H]1C[C@H]1C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826316530 607391458 /nfs/dbraw/zinc/39/14/58/607391458.db2.gz REUKLXZUVWORBS-NWDGAFQWSA-N -1 3 358.398 3.223 20 0 FGADHM Cc1ccsc1[C@H]1C[C@H]1C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826316530 607391459 /nfs/dbraw/zinc/39/14/59/607391459.db2.gz REUKLXZUVWORBS-NWDGAFQWSA-N -1 3 358.398 3.223 20 0 FGADHM CCN(C(=O)C=Cc1cncc(C)c1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821149291 607393983 /nfs/dbraw/zinc/39/39/83/607393983.db2.gz UYSDRKZUWUBXLX-HYJLXUOHSA-N -1 3 362.437 3.193 20 0 FGADHM CCN(C(=O)C=Cc1cncc(C)c1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821149291 607393984 /nfs/dbraw/zinc/39/39/84/607393984.db2.gz UYSDRKZUWUBXLX-HYJLXUOHSA-N -1 3 362.437 3.193 20 0 FGADHM Cc1noc(C)c1[C@@H](C)C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000822519803 607398038 /nfs/dbraw/zinc/39/80/38/607398038.db2.gz MDHQITAKKVOBQE-SNVBAGLBSA-N -1 3 370.413 3.001 20 0 FGADHM Cc1noc(C)c1[C@@H](C)C(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000822519803 607398039 /nfs/dbraw/zinc/39/80/39/607398039.db2.gz MDHQITAKKVOBQE-SNVBAGLBSA-N -1 3 370.413 3.001 20 0 FGADHM CC(C)Oc1ccc(NC(=O)c2c(F)cccc2F)cc1-c1nnn[n-]1 ZINC000820169648 607401944 /nfs/dbraw/zinc/40/19/44/607401944.db2.gz MFFQSOVGRWRNCA-UHFFFAOYSA-N -1 3 359.336 3.184 20 0 FGADHM CC(C)Oc1ccc(NC(=O)c2c(F)cccc2F)cc1-c1nn[n-]n1 ZINC000820169648 607401945 /nfs/dbraw/zinc/40/19/45/607401945.db2.gz MFFQSOVGRWRNCA-UHFFFAOYSA-N -1 3 359.336 3.184 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)O[C@@H](c1ncccn1)C1CCCC1 ZINC000826251172 607402429 /nfs/dbraw/zinc/40/24/29/607402429.db2.gz HOOFUOZSYCCUED-MRXNPFEDSA-N -1 3 364.409 3.053 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)O[C@@H](c1ncccn1)C1CCCC1 ZINC000826251172 607402431 /nfs/dbraw/zinc/40/24/31/607402431.db2.gz HOOFUOZSYCCUED-MRXNPFEDSA-N -1 3 364.409 3.053 20 0 FGADHM CC(=O)c1ccc(C(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)cc1 ZINC000819834036 607406390 /nfs/dbraw/zinc/40/63/90/607406390.db2.gz LCGVHDYPFXUNAK-UHFFFAOYSA-N -1 3 365.393 3.109 20 0 FGADHM CC(=O)c1ccc(C(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)cc1 ZINC000819834036 607406392 /nfs/dbraw/zinc/40/63/92/607406392.db2.gz LCGVHDYPFXUNAK-UHFFFAOYSA-N -1 3 365.393 3.109 20 0 FGADHM Cc1ccc(C(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)c(Cl)n1 ZINC000822227816 607407234 /nfs/dbraw/zinc/40/72/34/607407234.db2.gz WSPZCKRLJNANRM-UHFFFAOYSA-N -1 3 372.816 3.263 20 0 FGADHM Cc1ccc(C(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)c(Cl)n1 ZINC000822227816 607407236 /nfs/dbraw/zinc/40/72/36/607407236.db2.gz WSPZCKRLJNANRM-UHFFFAOYSA-N -1 3 372.816 3.263 20 0 FGADHM CCOCCN1CCN(Cc2c3ccccc3sc2C(=O)[O-])C[C@H]1C ZINC000737176580 599961496 /nfs/dbraw/zinc/96/14/96/599961496.db2.gz GGYSQXSZSMLOIV-CQSZACIVSA-N -1 3 362.495 3.142 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)c1ncoc1-c1ccccc1 ZINC000826254345 607410361 /nfs/dbraw/zinc/41/03/61/607410361.db2.gz HDWPVLKYWBVXAD-UHFFFAOYSA-N -1 3 361.361 3.187 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)c1ncoc1-c1ccccc1 ZINC000826254345 607410362 /nfs/dbraw/zinc/41/03/62/607410362.db2.gz HDWPVLKYWBVXAD-UHFFFAOYSA-N -1 3 361.361 3.187 20 0 FGADHM CCC[C@H](NCC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-])c1ccccc1 ZINC000736971835 600077305 /nfs/dbraw/zinc/07/73/05/600077305.db2.gz DNAYRRCMWKBGDZ-PMACEKPBSA-N -1 3 366.461 3.156 20 0 FGADHM Cc1sc(NC(=O)c2ccc(N(C)C)cc2F)c(-c2nnn[n-]2)c1C ZINC000826350257 607783465 /nfs/dbraw/zinc/78/34/65/607783465.db2.gz OHBBIBBIGZBRJR-UHFFFAOYSA-N -1 3 360.418 3.002 20 0 FGADHM CS[C@H]1CCCCN(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000821956225 607423242 /nfs/dbraw/zinc/42/32/42/607423242.db2.gz JYVZBVFIYBBNGV-NSHDSACASA-N -1 3 366.878 3.270 20 0 FGADHM CS[C@H]1CCCCN(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000821956225 607423243 /nfs/dbraw/zinc/42/32/43/607423243.db2.gz JYVZBVFIYBBNGV-NSHDSACASA-N -1 3 366.878 3.270 20 0 FGADHM Cc1sc(NC(=O)c2ccc(N(C)C)cc2F)c(-c2nn[n-]n2)c1C ZINC000826350257 607783466 /nfs/dbraw/zinc/78/34/66/607783466.db2.gz OHBBIBBIGZBRJR-UHFFFAOYSA-N -1 3 360.418 3.002 20 0 FGADHM O=C(NC1(c2cccc(-c3nnn[n-]3)c2)CC1)[C@H]1C[C@H]1C1CCCCC1 ZINC000826427841 607426379 /nfs/dbraw/zinc/42/63/79/607426379.db2.gz COVJFQOYBDRQCQ-IRXDYDNUSA-N -1 3 351.454 3.188 20 0 FGADHM O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)[C@H]1C[C@H]1C1CCCCC1 ZINC000826427841 607426380 /nfs/dbraw/zinc/42/63/80/607426380.db2.gz COVJFQOYBDRQCQ-IRXDYDNUSA-N -1 3 351.454 3.188 20 0 FGADHM CC[C@@H](Cc1ccccc1)C(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000825125352 607427253 /nfs/dbraw/zinc/42/72/53/607427253.db2.gz CFESSZHZQCFIFW-INIZCTEOSA-N -1 3 361.449 3.241 20 0 FGADHM CC[C@@H](Cc1ccccc1)C(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000825125352 607427255 /nfs/dbraw/zinc/42/72/55/607427255.db2.gz CFESSZHZQCFIFW-INIZCTEOSA-N -1 3 361.449 3.241 20 0 FGADHM CN(C(=O)[C@H]1CCSc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000825811725 607433078 /nfs/dbraw/zinc/43/30/78/607433078.db2.gz AFIWLIHOAKKPGU-HNNXBMFYSA-N -1 3 351.435 3.109 20 0 FGADHM CN(C(=O)[C@H]1CCSc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000825811725 607433080 /nfs/dbraw/zinc/43/30/80/607433080.db2.gz AFIWLIHOAKKPGU-HNNXBMFYSA-N -1 3 351.435 3.109 20 0 FGADHM CCc1cccc2c(CC(=O)N(C)c3ccc(-c4nnn[n-]4)cc3)c[nH]c21 ZINC000825722054 607441391 /nfs/dbraw/zinc/44/13/91/607441391.db2.gz DBNIEFZRSMLTRF-UHFFFAOYSA-N -1 3 360.421 3.116 20 0 FGADHM CCc1cccc2c(CC(=O)N(C)c3ccc(-c4nn[n-]n4)cc3)c[nH]c21 ZINC000825722054 607441392 /nfs/dbraw/zinc/44/13/92/607441392.db2.gz DBNIEFZRSMLTRF-UHFFFAOYSA-N -1 3 360.421 3.116 20 0 FGADHM CC[C@H](C(=O)OCc1ccc(-c2nnn[n-]2)cc1C)c1c(C)noc1C ZINC000825039279 607444487 /nfs/dbraw/zinc/44/44/87/607444487.db2.gz PEPALKJPMIJALN-HNNXBMFYSA-N -1 3 355.398 3.017 20 0 FGADHM CC[C@H](C(=O)OCc1ccc(-c2nn[n-]n2)cc1C)c1c(C)noc1C ZINC000825039279 607444488 /nfs/dbraw/zinc/44/44/88/607444488.db2.gz PEPALKJPMIJALN-HNNXBMFYSA-N -1 3 355.398 3.017 20 0 FGADHM C[C@H](CN(CC[S@@](=O)c1cc(Cl)ccc1Cl)C1CC1)C(=O)[O-] ZINC000736579994 600459218 /nfs/dbraw/zinc/45/92/18/600459218.db2.gz WCCJWFXVXNJPLE-ZQJOYCHOSA-N -1 3 364.294 3.286 20 0 FGADHM CCCN1CCC[C@H]1C(=O)NC[C@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000737029486 600602997 /nfs/dbraw/zinc/60/29/97/600602997.db2.gz ADDRGLOYWOURMC-PMACEKPBSA-N -1 3 368.477 3.074 20 0 FGADHM C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000825012180 607456799 /nfs/dbraw/zinc/45/67/99/607456799.db2.gz DVJIGKVVPPDWLJ-FZKQIMNGSA-N -1 3 374.448 3.089 20 0 FGADHM C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000825012180 607456800 /nfs/dbraw/zinc/45/68/00/607456800.db2.gz DVJIGKVVPPDWLJ-FZKQIMNGSA-N -1 3 374.448 3.089 20 0 FGADHM O[C@@H](C[C@@H]1CCCN1c1cccc(F)c1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000823674087 607468910 /nfs/dbraw/zinc/46/89/10/607468910.db2.gz PZJWJMCTFLOQLO-YOEHRIQHSA-N -1 3 371.391 3.237 20 0 FGADHM O[C@@H](C[C@@H]1CCCN1c1cccc(F)c1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000823674087 607468911 /nfs/dbraw/zinc/46/89/11/607468911.db2.gz PZJWJMCTFLOQLO-YOEHRIQHSA-N -1 3 371.391 3.237 20 0 FGADHM C[C@@H]1C[C@H](c2ccccc2F)N(C[C@H](O)COc2ccc(C(=O)[O-])cc2)C1 ZINC000828191998 600840391 /nfs/dbraw/zinc/84/03/91/600840391.db2.gz IUKCADWFBVSSCV-PTSWNOGYSA-N -1 3 373.424 3.347 20 0 FGADHM CC[C@]1(C)CCCN(CC2=C(C(=O)[O-])[C@H](c3ccccc3)NC(=O)N2C)C1 ZINC000829043929 600848388 /nfs/dbraw/zinc/84/83/88/600848388.db2.gz JCGWKASPVINTFR-GHTZIAJQSA-N -1 3 371.481 3.234 20 0 FGADHM Fc1ccc([C@H](NCc2ccc(-c3nn[n-]n3)cc2F)[C@@H]2CCCO2)cc1 ZINC000822766459 607477584 /nfs/dbraw/zinc/47/75/84/607477584.db2.gz JQELJKZFLQXJJN-ROUUACIJSA-N -1 3 371.391 3.155 20 0 FGADHM CCCC[C@H](C(=O)[O-])N1CCN([C@@H](C)c2nc(-c3ccccc3)no2)CC1 ZINC000829275156 600987506 /nfs/dbraw/zinc/98/75/06/600987506.db2.gz BEVRSLHPDKZADP-DOTOQJQBSA-N -1 3 372.469 3.059 20 0 FGADHM CN(C)[C@H](CNC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1)c1ccccc1 ZINC000830581004 601093760 /nfs/dbraw/zinc/09/37/60/601093760.db2.gz KKNJNLHFKIWKSB-GOSISDBHSA-N -1 3 369.465 3.473 20 0 FGADHM Fc1cc(-c2nnn[n-]2)ccc1CNc1ccc(-n2ccnc2)c(Cl)c1 ZINC000822744167 607489564 /nfs/dbraw/zinc/48/95/64/607489564.db2.gz NKOHRQFQCSVHTR-UHFFFAOYSA-N -1 3 369.791 3.457 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1CNc1ccc(-n2ccnc2)c(Cl)c1 ZINC000822744167 607489566 /nfs/dbraw/zinc/48/95/66/607489566.db2.gz NKOHRQFQCSVHTR-UHFFFAOYSA-N -1 3 369.791 3.457 20 0 FGADHM Fc1ccccc1Cn1nccc1NCc1ccc(-c2nnn[n-]2)cc1F ZINC000822744021 607489717 /nfs/dbraw/zinc/48/97/17/607489717.db2.gz KDXFKBLKKKXTDB-UHFFFAOYSA-N -1 3 367.363 3.002 20 0 FGADHM Fc1ccccc1Cn1nccc1NCc1ccc(-c2nn[n-]n2)cc1F ZINC000822744021 607489718 /nfs/dbraw/zinc/48/97/18/607489718.db2.gz KDXFKBLKKKXTDB-UHFFFAOYSA-N -1 3 367.363 3.002 20 0 FGADHM C[C@@H](OC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1c(F)cc(F)cc1F ZINC000820502106 607501441 /nfs/dbraw/zinc/50/14/41/607501441.db2.gz NIUGDQFVSNHRMT-SECBINFHSA-N -1 3 362.311 3.131 20 0 FGADHM C[C@@H](OC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1c(F)cc(F)cc1F ZINC000820502106 607501443 /nfs/dbraw/zinc/50/14/43/607501443.db2.gz NIUGDQFVSNHRMT-SECBINFHSA-N -1 3 362.311 3.131 20 0 FGADHM CC1(C)CCc2ccccc2[C@H]1NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000824806805 607774186 /nfs/dbraw/zinc/77/41/86/607774186.db2.gz CADKZRDNQKNNKG-OAHLLOKOSA-N -1 3 353.451 3.372 20 0 FGADHM CC1(C)CCc2ccccc2[C@H]1NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000824806805 607774187 /nfs/dbraw/zinc/77/41/87/607774187.db2.gz CADKZRDNQKNNKG-OAHLLOKOSA-N -1 3 353.451 3.372 20 0 FGADHM C[C@@H](C(=O)[O-])[C@@H](NC(=O)c1cccc(CN2CCCC2)c1)c1ccccc1 ZINC000826045644 601394160 /nfs/dbraw/zinc/39/41/60/601394160.db2.gz WESDGPQKJSNVAU-OXQOHEQNSA-N -1 3 366.461 3.474 20 0 FGADHM COC[C@](C)(CC(=O)[O-])NCc1ccc(Br)cc1Cl ZINC000831579302 601490829 /nfs/dbraw/zinc/49/08/29/601490829.db2.gz ZKMQGWWAFHPBAZ-ZDUSSCGKSA-N -1 3 350.640 3.072 20 0 FGADHM Cc1ccc(NC(=O)[C@H](c2ccccc2)N2C[C@H](C(=O)[O-])[C@H](C)C2)cc1 ZINC000832941827 601527375 /nfs/dbraw/zinc/52/73/75/601527375.db2.gz NVZRDZGRRWLQTE-MNEFBYGVSA-N -1 3 352.434 3.327 20 0 FGADHM C[C@H]1CN(CCOc2ccc(Cl)cc2Br)C[C@@H]1C(=O)[O-] ZINC000111255728 601533405 /nfs/dbraw/zinc/53/34/05/601533405.db2.gz AEHXCEFVRMXNMZ-ONGXEEELSA-N -1 3 362.651 3.134 20 0 FGADHM CC(C)CNC(=O)c1cccc(CN2CCc3ccccc3[C@@H]2C(=O)[O-])c1 ZINC000662235021 601547661 /nfs/dbraw/zinc/54/76/61/601547661.db2.gz RHTXWBGLANENRR-HXUWFJFHSA-N -1 3 366.461 3.256 20 0 FGADHM CCOc1ccccc1NC(=O)CN[C@@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000830109747 601655721 /nfs/dbraw/zinc/65/57/21/601655721.db2.gz LEOALTIPSPQXGD-AUUYWEPGSA-N -1 3 356.422 3.075 20 0 FGADHM O=C([O-])[C@@]1(NC(=O)c2ccccc2Cl)CCCN(Cc2ccccc2)C1 ZINC000833128965 601733433 /nfs/dbraw/zinc/73/34/33/601733433.db2.gz PWYKXPDVVYPTIP-HXUWFJFHSA-N -1 3 372.852 3.189 20 0 FGADHM C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CCC(CCC(=O)[O-])CC2)C1 ZINC000659395357 601825534 /nfs/dbraw/zinc/82/55/34/601825534.db2.gz MGMHAKQCHSGQDK-APWZRJJASA-N -1 3 373.497 3.108 20 0 FGADHM O=C([O-])c1ccc(CN2CCC(CC(=O)NC3CCCC3)CC2)s1 ZINC000833097588 601945717 /nfs/dbraw/zinc/94/57/17/601945717.db2.gz QDMLUDIWQGMUQQ-UHFFFAOYSA-N -1 3 350.484 3.107 20 0 FGADHM O=C([O-])[C@]1(NC(=O)C(F)=C2CCCC2)CCCN(Cc2ccccc2)C1 ZINC000833129234 601946406 /nfs/dbraw/zinc/94/64/06/601946406.db2.gz XGRORPRUKSKKPO-FQEVSTJZSA-N -1 3 360.429 3.020 20 0 FGADHM C[C@@H](CNC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1)N1CCCCC1 ZINC000827497817 601984178 /nfs/dbraw/zinc/98/41/78/601984178.db2.gz ULHIPFCFICACIV-NSHDSACASA-N -1 3 373.375 3.400 20 0 FGADHM Cn1cc(C[C@H]2CCN([C@@H](C(=O)[O-])c3cc(Cl)cc(Cl)c3)C2)cn1 ZINC000833044305 602048057 /nfs/dbraw/zinc/04/80/57/602048057.db2.gz VJNHSPUQVNGKHC-BDJLRTHQSA-N -1 3 368.264 3.417 20 0 FGADHM O=C([O-])[C@@H]1CCCCCC[C@H]1NC(=O)c1cccc(CN2CCCC2)c1 ZINC000833132150 602057019 /nfs/dbraw/zinc/05/70/19/602057019.db2.gz VCFUDXKZOOXZRL-RTBURBONSA-N -1 3 358.482 3.436 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)Nc1ccc2c(cnn2C(F)F)c1 ZINC000826452683 607555296 /nfs/dbraw/zinc/55/52/96/607555296.db2.gz CXCBECGSJLFVGD-UHFFFAOYSA-N -1 3 370.323 3.256 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)Nc1ccc2c(cnn2C(F)F)c1 ZINC000826452683 607555297 /nfs/dbraw/zinc/55/52/97/607555297.db2.gz CXCBECGSJLFVGD-UHFFFAOYSA-N -1 3 370.323 3.256 20 0 FGADHM CCn1c(C)cc2c1CCC[C@H]2NC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000825782754 607564085 /nfs/dbraw/zinc/56/40/85/607564085.db2.gz OACZJSFUQPBSMJ-MRXNPFEDSA-N -1 3 365.441 3.196 20 0 FGADHM CCn1c(C)cc2c1CCC[C@H]2NC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000825782754 607564086 /nfs/dbraw/zinc/56/40/86/607564086.db2.gz OACZJSFUQPBSMJ-MRXNPFEDSA-N -1 3 365.441 3.196 20 0 FGADHM COc1ccc(CN(C)C)cc1NC(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000739910334 602484929 /nfs/dbraw/zinc/48/49/29/602484929.db2.gz UYITZMFKVKZYQO-UHFFFAOYSA-N -1 3 361.373 3.238 20 0 FGADHM CN(C[C@@H]1CCN(Cc2c(-c3ccccc3)nc3sccn23)C1)C(=O)[O-] ZINC000739666003 602537692 /nfs/dbraw/zinc/53/76/92/602537692.db2.gz RFRDUMJTXGPNBG-AWEZNQCLSA-N -1 3 370.478 3.495 20 0 FGADHM CC1=C(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)CC(F)(F)F)CCC1 ZINC000824852640 607577321 /nfs/dbraw/zinc/57/73/21/607577321.db2.gz OWCAPGFVJYJUIT-UHFFFAOYSA-N -1 3 365.359 3.258 20 0 FGADHM CC1=C(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)CC(F)(F)F)CCC1 ZINC000824852640 607577323 /nfs/dbraw/zinc/57/73/23/607577323.db2.gz OWCAPGFVJYJUIT-UHFFFAOYSA-N -1 3 365.359 3.258 20 0 FGADHM CCC[C@@H](C(=O)NCc1ccc(OC)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000825225635 607585580 /nfs/dbraw/zinc/58/55/80/607585580.db2.gz VSQVIHCNISSTRF-MRXNPFEDSA-N -1 3 365.437 3.075 20 0 FGADHM CCC[C@@H](C(=O)NCc1ccc(OC)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000825225635 607585581 /nfs/dbraw/zinc/58/55/81/607585581.db2.gz VSQVIHCNISSTRF-MRXNPFEDSA-N -1 3 365.437 3.075 20 0 FGADHM COc1ccc(COC(=O)[C@H](C)c2cccc(Cl)c2)cc1-c1nnn[n-]1 ZINC000826204362 607610431 /nfs/dbraw/zinc/61/04/31/607610431.db2.gz IEVXOSQXNNLELB-LLVKDONJSA-N -1 3 372.812 3.376 20 0 FGADHM COc1ccc(COC(=O)[C@H](C)c2cccc(Cl)c2)cc1-c1nn[n-]n1 ZINC000826204362 607610433 /nfs/dbraw/zinc/61/04/33/607610433.db2.gz IEVXOSQXNNLELB-LLVKDONJSA-N -1 3 372.812 3.376 20 0 FGADHM COc1ccc(-c2nc(CN[C@H]3CCC[C@H]3CNC(=O)[O-])cs2)cc1 ZINC000829243233 603168037 /nfs/dbraw/zinc/16/80/37/603168037.db2.gz MNCRXKCJGUGFRZ-BBRMVZONSA-N -1 3 361.467 3.345 20 0 FGADHM COc1cc2c(cc1CNC[C@H](NC(=O)[O-])c1ccccc1)O[C@@H](C)C2 ZINC000829224221 603175472 /nfs/dbraw/zinc/17/54/72/603175472.db2.gz HGUATRLTMIXUNP-GUYCJALGSA-N -1 3 356.422 3.117 20 0 FGADHM Cc1nn(-c2ccccc2)cc1CNC[C@H](NC(=O)[O-])c1ccccc1 ZINC000830839090 603175976 /nfs/dbraw/zinc/17/59/76/603175976.db2.gz DMYJQWZMHJQNKB-IBGZPJMESA-N -1 3 350.422 3.279 20 0 FGADHM CN(C)CCN(C(=O)c1ccc(NC(=O)[O-])cc1Cl)C1CCCC1 ZINC000739607266 603313176 /nfs/dbraw/zinc/31/31/76/603313176.db2.gz RHCZCMDNVKRJMD-UHFFFAOYSA-N -1 3 353.850 3.376 20 0 FGADHM O=C([O-])N[C@@H](Cc1ccccc1)[C@@H](O)CN1CCC[C@@H]1c1ccc(F)cc1 ZINC000832757699 603399512 /nfs/dbraw/zinc/39/95/12/603399512.db2.gz KYVXXFWLNGOUOI-ZCNNSNEGSA-N -1 3 372.440 3.202 20 0 FGADHM CC1CCN([C@H](CNC(=O)[C@@H]2CC[C@@H](NC(=O)[O-])C2)c2ccccc2)CC1 ZINC000825945763 603508310 /nfs/dbraw/zinc/50/83/10/603508310.db2.gz ZMVJUHWQBDEHJV-GUDVDZBRSA-N -1 3 373.497 3.012 20 0 FGADHM O=C([O-])Nc1ccc(CNC[C@H](O)c2cccc(C(F)(F)F)c2)cn1 ZINC000832841938 603550681 /nfs/dbraw/zinc/55/06/81/603550681.db2.gz JJIMBZGFOBXJRO-ZDUSSCGKSA-N -1 3 355.316 3.014 20 0 FGADHM CN(C)Cc1ccc(-c2noc([C@H](CNC(=O)[O-])c3ccccc3)n2)cc1 ZINC000828042595 603637239 /nfs/dbraw/zinc/63/72/39/603637239.db2.gz IWVYSOKXTVSDSK-QGZVFWFLSA-N -1 3 366.421 3.198 20 0 FGADHM Cc1cc(C)cc(OCCCOC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826265015 607645288 /nfs/dbraw/zinc/64/52/88/607645288.db2.gz JLSKGIZQRDBRLP-UHFFFAOYSA-N -1 3 352.394 3.109 20 0 FGADHM Cc1cc(C)cc(OCCCOC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826265015 607645290 /nfs/dbraw/zinc/64/52/90/607645290.db2.gz JLSKGIZQRDBRLP-UHFFFAOYSA-N -1 3 352.394 3.109 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000826249374 607653995 /nfs/dbraw/zinc/65/39/95/607653995.db2.gz ZRLDMCNEVGCLLV-UHFFFAOYSA-N -1 3 361.327 3.124 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000826249374 607653996 /nfs/dbraw/zinc/65/39/96/607653996.db2.gz ZRLDMCNEVGCLLV-UHFFFAOYSA-N -1 3 361.327 3.124 20 0 FGADHM CN(C)Cc1cccc(NC(=O)Nc2cccc3c2CCN3C(=O)[O-])c1 ZINC000828046297 603964016 /nfs/dbraw/zinc/96/40/16/603964016.db2.gz IQOUZIBKMKHZIW-UHFFFAOYSA-N -1 3 354.410 3.433 20 0 FGADHM C[C@@H]1C[C@H](NC(=O)c2cccc(NC(=O)[O-])c2)CN1Cc1ccccc1 ZINC000825851094 603967242 /nfs/dbraw/zinc/96/72/42/603967242.db2.gz GHVUQKLMDKIABI-KDOFPFPSSA-N -1 3 353.422 3.169 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCCCC[C@H]1c1ccncc1 ZINC000826244770 607663305 /nfs/dbraw/zinc/66/33/05/607663305.db2.gz CTEOLTOSXHAORS-SFHVURJKSA-N -1 3 362.437 3.328 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCCCC[C@H]1c1ccncc1 ZINC000826244770 607663307 /nfs/dbraw/zinc/66/33/07/607663307.db2.gz CTEOLTOSXHAORS-SFHVURJKSA-N -1 3 362.437 3.328 20 0 FGADHM Cc1ccc2c(CN3CCC[C@H]([C@H](C)NC(=O)[O-])C3)cc(=O)oc2c1C ZINC000830440213 604202305 /nfs/dbraw/zinc/20/23/05/604202305.db2.gz VOGHEFMEGWUWBX-GJZGRUSLSA-N -1 3 358.438 3.278 20 0 FGADHM CCOC(=O)CCC1CCN(c2cc(Cl)ccc2-c2nnn[n-]2)CC1 ZINC000825507421 607679858 /nfs/dbraw/zinc/67/98/58/607679858.db2.gz QSGQKVYCVXFCOJ-UHFFFAOYSA-N -1 3 363.849 3.080 20 0 FGADHM CCOC(=O)CCC1CCN(c2cc(Cl)ccc2-c2nn[n-]n2)CC1 ZINC000825507421 607679859 /nfs/dbraw/zinc/67/98/59/607679859.db2.gz QSGQKVYCVXFCOJ-UHFFFAOYSA-N -1 3 363.849 3.080 20 0 FGADHM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(Cc2cc(=O)oc3cc4c(cc23)CCC4)C1 ZINC000825265259 604242476 /nfs/dbraw/zinc/24/24/76/604242476.db2.gz RHBCMOHHMGRMDB-CZUORRHYSA-N -1 3 370.449 3.150 20 0 FGADHM 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/nfs/dbraw/zinc/04/49/39/606044939.db2.gz AVXPLYDHCIUBFI-MRXNPFEDSA-N -1 3 366.812 3.214 20 0 FGADHM COc1cccc(CNc2nc3ccccc3cc2-c2nnn[n-]2)c1OC ZINC000821867933 606052392 /nfs/dbraw/zinc/05/23/92/606052392.db2.gz LTGBMOSXWXABQY-UHFFFAOYSA-N -1 3 362.393 3.044 20 0 FGADHM COc1cccc(CNc2nc3ccccc3cc2-c2nn[n-]n2)c1OC ZINC000821867933 606052397 /nfs/dbraw/zinc/05/23/97/606052397.db2.gz LTGBMOSXWXABQY-UHFFFAOYSA-N -1 3 362.393 3.044 20 0 FGADHM Cc1ccc(Cl)cc1N1CC[C@@H](CNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC000822239783 606068454 /nfs/dbraw/zinc/06/84/54/606068454.db2.gz DNBHOJSCMFFTTF-ZDUSSCGKSA-N -1 3 369.860 3.162 20 0 FGADHM Cc1ccc(Cl)cc1N1CC[C@@H](CNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC000822239783 606068459 /nfs/dbraw/zinc/06/84/59/606068459.db2.gz DNBHOJSCMFFTTF-ZDUSSCGKSA-N -1 3 369.860 3.162 20 0 FGADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)Nc1c(F)cccc1NC1CC1 ZINC000822978206 606068791 /nfs/dbraw/zinc/06/87/91/606068791.db2.gz GCTNFTWTSBMXGN-UHFFFAOYSA-N -1 3 366.400 3.151 20 0 FGADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)Nc1c(F)cccc1NC1CC1 ZINC000822978206 606068795 /nfs/dbraw/zinc/06/87/95/606068795.db2.gz GCTNFTWTSBMXGN-UHFFFAOYSA-N -1 3 366.400 3.151 20 0 FGADHM CCc1nccn1[C@H]1CCCN(c2nc3ccccc3cc2-c2nnn[n-]2)C1 ZINC000821517244 606078145 /nfs/dbraw/zinc/07/81/45/606078145.db2.gz HXHIYZNWUKPGIE-HNNXBMFYSA-N -1 3 374.452 3.015 20 0 FGADHM CCc1nccn1[C@H]1CCCN(c2nc3ccccc3cc2-c2nn[n-]n2)C1 ZINC000821517244 606078148 /nfs/dbraw/zinc/07/81/48/606078148.db2.gz HXHIYZNWUKPGIE-HNNXBMFYSA-N -1 3 374.452 3.015 20 0 FGADHM Cc1ccc(OCCCC(=O)Nc2ccccc2-c2nnn[n-]2)cc1C ZINC000822262696 606101303 /nfs/dbraw/zinc/10/13/03/606101303.db2.gz DBAKGUZMWIVBQE-UHFFFAOYSA-N -1 3 351.410 3.281 20 0 FGADHM Cc1ccc(OCCCC(=O)Nc2ccccc2-c2nn[n-]n2)cc1C ZINC000822262696 606101305 /nfs/dbraw/zinc/10/13/05/606101305.db2.gz DBAKGUZMWIVBQE-UHFFFAOYSA-N -1 3 351.410 3.281 20 0 FGADHM C[C@@H]1c2ccccc2CN1C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000820827028 606104446 /nfs/dbraw/zinc/10/44/46/606104446.db2.gz QAQLJMCLULQHCQ-GFCCVEGCSA-N -1 3 351.435 3.062 20 0 FGADHM C[C@@H]1c2ccccc2CN1C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000820827028 606104447 /nfs/dbraw/zinc/10/44/47/606104447.db2.gz QAQLJMCLULQHCQ-GFCCVEGCSA-N -1 3 351.435 3.062 20 0 FGADHM COc1ccccc1[C@H](CC(C)C)NC(=O)c1sccc1-c1nnn[n-]1 ZINC000821882702 606105041 /nfs/dbraw/zinc/10/50/41/606105041.db2.gz INSHCGXBJTZNFO-AWEZNQCLSA-N -1 3 371.466 3.454 20 0 FGADHM COc1ccccc1[C@H](CC(C)C)NC(=O)c1sccc1-c1nn[n-]n1 ZINC000821882702 606105043 /nfs/dbraw/zinc/10/50/43/606105043.db2.gz INSHCGXBJTZNFO-AWEZNQCLSA-N -1 3 371.466 3.454 20 0 FGADHM O=C([O-])N1CC[C@@]2(C1)C[C@@H](N[C@@H]1CCC(F)(F)C1)c1ccccc1O2 ZINC000834087086 606106603 /nfs/dbraw/zinc/10/66/03/606106603.db2.gz QYRGYSGSYWHVTB-MRRJBJDNSA-N -1 3 352.381 3.410 20 0 FGADHM CC(C)COc1cccc(NCc2cnc3ccc(-c4nnn[n-]4)cn23)c1 ZINC000820103193 606132254 /nfs/dbraw/zinc/13/22/54/606132254.db2.gz PCNARUIRBWGFAA-UHFFFAOYSA-N -1 3 363.425 3.161 20 0 FGADHM CC(C)COc1cccc(NCc2cnc3ccc(-c4nn[n-]n4)cn23)c1 ZINC000820103193 606132256 /nfs/dbraw/zinc/13/22/56/606132256.db2.gz PCNARUIRBWGFAA-UHFFFAOYSA-N -1 3 363.425 3.161 20 0 FGADHM Cc1cccn2cc(CCNc3cc(-c4nnn[n-]4)nc4ccccc43)nc12 ZINC000822367039 606139826 /nfs/dbraw/zinc/13/98/26/606139826.db2.gz ZOSQXCCCENIHKX-UHFFFAOYSA-N -1 3 370.420 3.026 20 0 FGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N1C[C@@H]2CCCC[C@H]2C1 ZINC000820152209 606150963 /nfs/dbraw/zinc/15/09/63/606150963.db2.gz UKLMKLNMRZQLAN-GJZGRUSLSA-N -1 3 370.457 3.308 20 0 FGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N1C[C@@H]2CCCC[C@H]2C1 ZINC000820152209 606150964 /nfs/dbraw/zinc/15/09/64/606150964.db2.gz UKLMKLNMRZQLAN-GJZGRUSLSA-N -1 3 370.457 3.308 20 0 FGADHM CC[C@@H]1CCCCN1C(=O)CS[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820978820 606179513 /nfs/dbraw/zinc/17/95/13/606179513.db2.gz CZSUIAGLQGHMCZ-XJKSGUPXSA-N -1 3 359.499 3.452 20 0 FGADHM CC[C@@H]1CCCCN1C(=O)CS[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820978820 606179514 /nfs/dbraw/zinc/17/95/14/606179514.db2.gz CZSUIAGLQGHMCZ-XJKSGUPXSA-N -1 3 359.499 3.452 20 0 FGADHM CO[C@@H](C)c1nc(C)c(C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000821675242 606180440 /nfs/dbraw/zinc/18/04/40/606180440.db2.gz HBLVYJAQUKCEKB-MNOVXSKESA-N -1 3 373.438 3.257 20 0 FGADHM CO[C@@H](C)c1nc(C)c(C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000821675242 606180441 /nfs/dbraw/zinc/18/04/41/606180441.db2.gz HBLVYJAQUKCEKB-MNOVXSKESA-N -1 3 373.438 3.257 20 0 FGADHM O=C(CC[C@H]1CCOC1)Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822950421 606208663 /nfs/dbraw/zinc/20/86/63/606208663.db2.gz NMNDKTXRLIKUJC-AWEZNQCLSA-N -1 3 364.405 3.256 20 0 FGADHM O=C(CC[C@H]1CCOC1)Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822950421 606208664 /nfs/dbraw/zinc/20/86/64/606208664.db2.gz NMNDKTXRLIKUJC-AWEZNQCLSA-N -1 3 364.405 3.256 20 0 FGADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)OCc1ccc(-c2ccccc2)cc1 ZINC000822659220 606212632 /nfs/dbraw/zinc/21/26/32/606212632.db2.gz HRBBYLYQJSFLCG-UHFFFAOYSA-N -1 3 359.389 3.229 20 0 FGADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)OCc1ccc(-c2ccccc2)cc1 ZINC000822659220 606212634 /nfs/dbraw/zinc/21/26/34/606212634.db2.gz HRBBYLYQJSFLCG-UHFFFAOYSA-N -1 3 359.389 3.229 20 0 FGADHM CCN(C(=O)c1cc(-c2nnn[n-]2)cn1C)[C@H](C)c1cc2ccccc2o1 ZINC000821154133 606235381 /nfs/dbraw/zinc/23/53/81/606235381.db2.gz KCZIJZNQXWJJBS-GFCCVEGCSA-N -1 3 364.409 3.175 20 0 FGADHM CCN(C(=O)c1cc(-c2nn[n-]n2)cn1C)[C@H](C)c1cc2ccccc2o1 ZINC000821154133 606235382 /nfs/dbraw/zinc/23/53/82/606235382.db2.gz KCZIJZNQXWJJBS-GFCCVEGCSA-N -1 3 364.409 3.175 20 0 FGADHM CCCc1ccccc1N[C@@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O ZINC000821142279 606244929 /nfs/dbraw/zinc/24/49/29/606244929.db2.gz FZGAETOEXAKJEG-OAHLLOKOSA-N -1 3 368.466 3.098 20 0 FGADHM CCCc1ccccc1N[C@@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O ZINC000821142279 606244931 /nfs/dbraw/zinc/24/49/31/606244931.db2.gz FZGAETOEXAKJEG-OAHLLOKOSA-N -1 3 368.466 3.098 20 0 FGADHM Cc1cccc(C)c1OCCC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000822299173 606262272 /nfs/dbraw/zinc/26/22/72/606262272.db2.gz AIHUHWNWRKQELQ-UHFFFAOYSA-N -1 3 355.373 3.030 20 0 FGADHM Cc1cccc(C)c1OCCC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000822299173 606262274 /nfs/dbraw/zinc/26/22/74/606262274.db2.gz AIHUHWNWRKQELQ-UHFFFAOYSA-N -1 3 355.373 3.030 20 0 FGADHM O=C(Nc1ccc(OC2CCCC2)c(Cl)c1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823350221 606262407 /nfs/dbraw/zinc/26/24/07/606262407.db2.gz DXKANCKWLBDICS-UHFFFAOYSA-N -1 3 372.816 3.422 20 0 FGADHM O=C(Nc1ccc(OC2CCCC2)c(Cl)c1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823350221 606262408 /nfs/dbraw/zinc/26/24/08/606262408.db2.gz DXKANCKWLBDICS-UHFFFAOYSA-N -1 3 372.816 3.422 20 0 FGADHM Cc1ccc(SCCC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000822266605 606265348 /nfs/dbraw/zinc/26/53/48/606265348.db2.gz FCWHGRKICRJYLI-UHFFFAOYSA-N -1 3 357.414 3.435 20 0 FGADHM Cc1ccc(SCCC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000822266605 606265349 /nfs/dbraw/zinc/26/53/49/606265349.db2.gz FCWHGRKICRJYLI-UHFFFAOYSA-N -1 3 357.414 3.435 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)[C@H]1C[C@H]1c1cccc(Cl)c1 ZINC000823344004 606269089 /nfs/dbraw/zinc/26/90/89/606269089.db2.gz NNAZBEGYYXSLIO-STQMWFEESA-N -1 3 357.776 3.401 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)[C@H]1C[C@H]1c1cccc(Cl)c1 ZINC000823344004 606269091 /nfs/dbraw/zinc/26/90/91/606269091.db2.gz NNAZBEGYYXSLIO-STQMWFEESA-N -1 3 357.776 3.401 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)[C@H]1C[C@@]12CCCc1ccccc12 ZINC000823337264 606270999 /nfs/dbraw/zinc/27/09/99/606270999.db2.gz JFBBLEIFRCKXCF-OXQOHEQNSA-N -1 3 363.396 3.239 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)[C@H]1C[C@@]12CCCc1ccccc12 ZINC000823337264 606271001 /nfs/dbraw/zinc/27/10/01/606271001.db2.gz JFBBLEIFRCKXCF-OXQOHEQNSA-N -1 3 363.396 3.239 20 0 FGADHM CC(C)=C(C)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000820005019 606279266 /nfs/dbraw/zinc/27/92/66/606279266.db2.gz IYZJOJCKVYPHMM-UHFFFAOYSA-N -1 3 350.382 3.349 20 0 FGADHM COC(=O)[C@H](c1cccc(-c2nn[n-]n2)c1)N1CCCC2(CCCCC2)C1 ZINC000821651879 606323434 /nfs/dbraw/zinc/32/34/34/606323434.db2.gz HWFVHSGRDVIXDY-KRWDZBQOSA-N -1 3 369.469 3.127 20 0 FGADHM C[C@H](NC(=O)CSc1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)cc1 ZINC000820335322 606323703 /nfs/dbraw/zinc/32/37/03/606323703.db2.gz WDBYHSFYTQVFSR-NSHDSACASA-N -1 3 373.869 3.490 20 0 FGADHM C[C@H](NC(=O)CSc1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)cc1 ZINC000820335322 606323705 /nfs/dbraw/zinc/32/37/05/606323705.db2.gz WDBYHSFYTQVFSR-NSHDSACASA-N -1 3 373.869 3.490 20 0 FGADHM CSc1cccc(NC(=O)CSc2cccc(-c3nnn[n-]3)c2)c1 ZINC000821983483 606326224 /nfs/dbraw/zinc/32/62/24/606326224.db2.gz IEOHHCSWVDQSRI-UHFFFAOYSA-N -1 3 357.464 3.319 20 0 FGADHM CSc1cccc(NC(=O)CSc2cccc(-c3nn[n-]n3)c2)c1 ZINC000821983483 606326225 /nfs/dbraw/zinc/32/62/25/606326225.db2.gz IEOHHCSWVDQSRI-UHFFFAOYSA-N -1 3 357.464 3.319 20 0 FGADHM COc1ccccc1C1(C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000821883651 606343589 /nfs/dbraw/zinc/34/35/89/606343589.db2.gz ZAVMEHIYSUDRCC-ZDUSSCGKSA-N -1 3 364.405 3.211 20 0 FGADHM COc1ccccc1C1(C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000821883651 606343591 /nfs/dbraw/zinc/34/35/91/606343591.db2.gz ZAVMEHIYSUDRCC-ZDUSSCGKSA-N -1 3 364.405 3.211 20 0 FGADHM COc1cc(C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc(OC)c1C ZINC000821702912 606344401 /nfs/dbraw/zinc/34/44/01/606344401.db2.gz GTVIUIQVOYWGSS-GFCCVEGCSA-N -1 3 368.393 3.110 20 0 FGADHM COc1cc(C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc(OC)c1C ZINC000821702912 606344403 /nfs/dbraw/zinc/34/44/03/606344403.db2.gz GTVIUIQVOYWGSS-GFCCVEGCSA-N -1 3 368.393 3.110 20 0 FGADHM C[C@@H](OC(=O)COc1ccccc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000820498028 606349289 /nfs/dbraw/zinc/34/92/89/606349289.db2.gz YEFZUIKLCPFDGO-LLVKDONJSA-N -1 3 358.785 3.203 20 0 FGADHM C[C@@H](OC(=O)COc1ccccc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000820498028 606349290 /nfs/dbraw/zinc/34/92/90/606349290.db2.gz YEFZUIKLCPFDGO-LLVKDONJSA-N -1 3 358.785 3.203 20 0 FGADHM COc1ccc([C@@H](C)C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821778088 606351701 /nfs/dbraw/zinc/35/17/01/606351701.db2.gz TZANPCPDENSBEB-OLZOCXBDSA-N -1 3 352.394 3.283 20 0 FGADHM COc1ccc([C@@H](C)C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821778088 606351702 /nfs/dbraw/zinc/35/17/02/606351702.db2.gz TZANPCPDENSBEB-OLZOCXBDSA-N -1 3 352.394 3.283 20 0 FGADHM C[C@H](OC(=O)[C@@H]1Cc2ccccc2S1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820486380 606352412 /nfs/dbraw/zinc/35/24/12/606352412.db2.gz ARYYBHBLDHVTLN-ZBEGNZNMSA-N -1 3 352.419 3.188 20 0 FGADHM C[C@H](OC(=O)[C@@H]1Cc2ccccc2S1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820486380 606352413 /nfs/dbraw/zinc/35/24/13/606352413.db2.gz ARYYBHBLDHVTLN-ZBEGNZNMSA-N -1 3 352.419 3.188 20 0 FGADHM O=C(Cc1cccnc1)Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000823115614 606361672 /nfs/dbraw/zinc/36/16/72/606361672.db2.gz SMGFWIXVFHIADC-UHFFFAOYSA-N -1 3 373.372 3.202 20 0 FGADHM C[C@H]1CN(Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)[C@H]1c1ccccc1 ZINC000820761276 606375182 /nfs/dbraw/zinc/37/51/82/606375182.db2.gz WQHNYZHRVQMCRR-SCLBCKFNSA-N -1 3 373.420 3.110 20 0 FGADHM C[C@H]1CN(Cc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)[C@H]1c1ccccc1 ZINC000820761276 606375183 /nfs/dbraw/zinc/37/51/83/606375183.db2.gz WQHNYZHRVQMCRR-SCLBCKFNSA-N -1 3 373.420 3.110 20 0 FGADHM CC[C@@H](C)CN(CC)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000820870406 606382309 /nfs/dbraw/zinc/38/23/09/606382309.db2.gz SDGLKFIHFCYCQX-SNVBAGLBSA-N -1 3 368.388 3.368 20 0 FGADHM CC[C@@H](C)CN(CC)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000820870406 606382310 /nfs/dbraw/zinc/38/23/10/606382310.db2.gz SDGLKFIHFCYCQX-SNVBAGLBSA-N -1 3 368.388 3.368 20 0 FGADHM O=C(CCn1cccc1)Nc1sc2c(c1-c1nnn[n-]1)CCCCCC2 ZINC000822986240 606429149 /nfs/dbraw/zinc/42/91/49/606429149.db2.gz AWYHKFNTJKOYIG-UHFFFAOYSA-N -1 3 370.482 3.418 20 0 FGADHM O=C(CCn1cccc1)Nc1sc2c(c1-c1nn[n-]n1)CCCCCC2 ZINC000822986240 606429151 /nfs/dbraw/zinc/42/91/51/606429151.db2.gz AWYHKFNTJKOYIG-UHFFFAOYSA-N -1 3 370.482 3.418 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N(CC(F)(F)F)C1CCCC1 ZINC000822927976 606430819 /nfs/dbraw/zinc/43/08/19/606430819.db2.gz BYQFLEWCPIZOPC-MDZDMXLPSA-N -1 3 365.359 3.213 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N(CC(F)(F)F)C1CCCC1 ZINC000822927976 606430820 /nfs/dbraw/zinc/43/08/20/606430820.db2.gz BYQFLEWCPIZOPC-MDZDMXLPSA-N -1 3 365.359 3.213 20 0 FGADHM OCC1(CNc2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)CCCCC1 ZINC000823715635 606432714 /nfs/dbraw/zinc/43/27/14/606432714.db2.gz VYDHJHIAQFSLFI-UHFFFAOYSA-N -1 3 374.395 3.048 20 0 FGADHM OCC1(CNc2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)CCCCC1 ZINC000823715635 606432715 /nfs/dbraw/zinc/43/27/15/606432715.db2.gz VYDHJHIAQFSLFI-UHFFFAOYSA-N -1 3 374.395 3.048 20 0 FGADHM C[C@@H]1CCCN1C(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000820711185 606436269 /nfs/dbraw/zinc/43/62/69/606436269.db2.gz VDYHNIZAKISNQU-CQSZACIVSA-N -1 3 363.421 3.070 20 0 FGADHM CCC[C@@H]1C[C@H]1NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC000821034584 606442046 /nfs/dbraw/zinc/44/20/46/606442046.db2.gz PLCUANDZAMAAOT-IAGOWNOFSA-N -1 3 356.474 3.223 20 0 FGADHM CCC[C@@H]1C[C@H]1NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC000821034584 606442047 /nfs/dbraw/zinc/44/20/47/606442047.db2.gz PLCUANDZAMAAOT-IAGOWNOFSA-N -1 3 356.474 3.223 20 0 FGADHM C[C@H](NC(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1c(F)cccc1Cl ZINC000820335352 606444157 /nfs/dbraw/zinc/44/41/57/606444157.db2.gz WRDSEMSLCAKOQV-JTQLQIEISA-N -1 3 359.792 3.079 20 0 FGADHM C[C@H](NC(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1c(F)cccc1Cl ZINC000820335352 606444159 /nfs/dbraw/zinc/44/41/59/606444159.db2.gz WRDSEMSLCAKOQV-JTQLQIEISA-N -1 3 359.792 3.079 20 0 FGADHM O=C(c1sccc1-c1nnn[n-]1)N1CCC(c2ccc(F)cc2)CC1 ZINC000823498644 606450941 /nfs/dbraw/zinc/45/09/41/606450941.db2.gz XNMROKUOZYOMSW-UHFFFAOYSA-N -1 3 357.414 3.087 20 0 FGADHM O=C(c1sccc1-c1nn[n-]n1)N1CCC(c2ccc(F)cc2)CC1 ZINC000823498644 606450943 /nfs/dbraw/zinc/45/09/43/606450943.db2.gz XNMROKUOZYOMSW-UHFFFAOYSA-N -1 3 357.414 3.087 20 0 FGADHM CC(C)NC(=O)c1ccc(Cl)c(NCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000820137877 606458142 /nfs/dbraw/zinc/45/81/42/606458142.db2.gz OZLMXVAWGUCOAQ-UHFFFAOYSA-N -1 3 370.844 3.270 20 0 FGADHM CC(C)NC(=O)c1ccc(Cl)c(NCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000820137877 606458143 /nfs/dbraw/zinc/45/81/43/606458143.db2.gz OZLMXVAWGUCOAQ-UHFFFAOYSA-N -1 3 370.844 3.270 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N(CCC(F)(F)F)CC1CC1 ZINC000823308913 606480902 /nfs/dbraw/zinc/48/09/02/606480902.db2.gz MJNXRMLCTVQCGR-UHFFFAOYSA-N -1 3 354.336 3.063 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N(CCC(F)(F)F)CC1CC1 ZINC000823308913 606480904 /nfs/dbraw/zinc/48/09/04/606480904.db2.gz MJNXRMLCTVQCGR-UHFFFAOYSA-N -1 3 354.336 3.063 20 0 FGADHM C[C@H](C1CC1)N(Cc1ccccc1)C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820220358 606488259 /nfs/dbraw/zinc/48/82/59/606488259.db2.gz RUKKKSFHLGTMBH-GFCCVEGCSA-N -1 3 353.451 3.369 20 0 FGADHM C[C@H](C1CC1)N(Cc1ccccc1)C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820220358 606488260 /nfs/dbraw/zinc/48/82/60/606488260.db2.gz RUKKKSFHLGTMBH-GFCCVEGCSA-N -1 3 353.451 3.369 20 0 FGADHM CCCN(C(=O)c1cc(-c2nnn[n-]2)cs1)[C@@H]1CCc2ccccc21 ZINC000821083280 606492059 /nfs/dbraw/zinc/49/20/59/606492059.db2.gz WRYQMRDBTZQIRL-OAHLLOKOSA-N -1 3 353.451 3.468 20 0 FGADHM CCCN(C(=O)c1cc(-c2nn[n-]n2)cs1)[C@@H]1CCc2ccccc21 ZINC000821083280 606492060 /nfs/dbraw/zinc/49/20/60/606492060.db2.gz WRYQMRDBTZQIRL-OAHLLOKOSA-N -1 3 353.451 3.468 20 0 FGADHM Cc1cc(Br)ccc1NC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000822162028 606492493 /nfs/dbraw/zinc/49/24/93/606492493.db2.gz WKZITPZZMOCBAT-UHFFFAOYSA-N -1 3 372.226 3.119 20 0 FGADHM Cc1cc(Br)ccc1NC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000822162028 606492495 /nfs/dbraw/zinc/49/24/95/606492495.db2.gz WKZITPZZMOCBAT-UHFFFAOYSA-N -1 3 372.226 3.119 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000823092883 606495985 /nfs/dbraw/zinc/49/59/85/606495985.db2.gz NOYDTRVYYHCHSU-SFHVURJKSA-N -1 3 367.840 3.330 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000823092883 606495987 /nfs/dbraw/zinc/49/59/87/606495987.db2.gz NOYDTRVYYHCHSU-SFHVURJKSA-N -1 3 367.840 3.330 20 0 FGADHM O=C(N[C@H]1CCCC[C@@H]1c1ccccc1)c1cc(-c2nnn[n-]2)cs1 ZINC000823150595 606497942 /nfs/dbraw/zinc/49/79/42/606497942.db2.gz QRSTYDLECKROHY-CABCVRRESA-N -1 3 353.451 3.384 20 0 FGADHM O=C(N[C@H]1CCCC[C@@H]1c1ccccc1)c1cc(-c2nn[n-]n2)cs1 ZINC000823150595 606497943 /nfs/dbraw/zinc/49/79/43/606497943.db2.gz QRSTYDLECKROHY-CABCVRRESA-N -1 3 353.451 3.384 20 0 FGADHM CC(C)CN(CCc1ccccc1)C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820086884 606504575 /nfs/dbraw/zinc/50/45/75/606504575.db2.gz HTIXDYGJWVXNDJ-UHFFFAOYSA-N -1 3 363.465 3.137 20 0 FGADHM CC(C)CN(CCc1ccccc1)C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820086884 606504577 /nfs/dbraw/zinc/50/45/77/606504577.db2.gz HTIXDYGJWVXNDJ-UHFFFAOYSA-N -1 3 363.465 3.137 20 0 FGADHM CN(C(=O)c1cc(-c2nnn[n-]2)cs1)[C@@H](c1ccccc1)C(F)(F)F ZINC000821573593 606507683 /nfs/dbraw/zinc/50/76/83/606507683.db2.gz WRSMTLOOOYTTMX-LBPRGKRZSA-N -1 3 367.356 3.304 20 0 FGADHM CN(C(=O)c1cc(-c2nn[n-]n2)cs1)[C@@H](c1ccccc1)C(F)(F)F ZINC000821573593 606507686 /nfs/dbraw/zinc/50/76/86/606507686.db2.gz WRSMTLOOOYTTMX-LBPRGKRZSA-N -1 3 367.356 3.304 20 0 FGADHM CN(C(=O)c1cc(-c2nnn[n-]2)cs1)c1cccc(OC(F)(F)F)c1 ZINC000821573184 606507932 /nfs/dbraw/zinc/50/79/32/606507932.db2.gz DUWFBLTUVNQNHM-UHFFFAOYSA-N -1 3 369.328 3.103 20 0 FGADHM CN(C(=O)c1cc(-c2nn[n-]n2)cs1)c1cccc(OC(F)(F)F)c1 ZINC000821573184 606507933 /nfs/dbraw/zinc/50/79/33/606507933.db2.gz DUWFBLTUVNQNHM-UHFFFAOYSA-N -1 3 369.328 3.103 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N1CCC[C@@H]1c1ccccc1Cl ZINC000823087286 606528028 /nfs/dbraw/zinc/52/80/28/606528028.db2.gz MZJKVHPZGHSYJE-QGZVFWFLSA-N -1 3 367.840 3.426 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N1CCC[C@@H]1c1ccccc1Cl ZINC000823087286 606528029 /nfs/dbraw/zinc/52/80/29/606528029.db2.gz MZJKVHPZGHSYJE-QGZVFWFLSA-N -1 3 367.840 3.426 20 0 FGADHM Cc1ccc([C@@H]2CCCN2C(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000822233182 606534961 /nfs/dbraw/zinc/53/49/61/606534961.db2.gz JNAGLXPKNWPELO-IBGZPJMESA-N -1 3 361.449 3.390 20 0 FGADHM Cc1ccc([C@@H]2CCCN2C(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000822233182 606534963 /nfs/dbraw/zinc/53/49/63/606534963.db2.gz JNAGLXPKNWPELO-IBGZPJMESA-N -1 3 361.449 3.390 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C/C=C\c1cccc(F)c1 ZINC000821756435 606541074 /nfs/dbraw/zinc/54/10/74/606541074.db2.gz OSPYIIUWXIDTRJ-HYXAFXHYSA-N -1 3 353.357 3.056 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C/C=C\c1cccc(F)c1 ZINC000821756435 606541077 /nfs/dbraw/zinc/54/10/77/606541077.db2.gz OSPYIIUWXIDTRJ-HYXAFXHYSA-N -1 3 353.357 3.056 20 0 FGADHM C[C@H]1Sc2ccccc2N(C(=O)c2cc(-c3nnn[n-]3)cs2)[C@H]1C ZINC000820819963 606544408 /nfs/dbraw/zinc/54/44/08/606544408.db2.gz LPDCPOXBFOZTNW-VHSXEESVSA-N -1 3 357.464 3.458 20 0 FGADHM C[C@H]1Sc2ccccc2N(C(=O)c2cc(-c3nn[n-]n3)cs2)[C@H]1C ZINC000820819963 606544410 /nfs/dbraw/zinc/54/44/10/606544410.db2.gz LPDCPOXBFOZTNW-VHSXEESVSA-N -1 3 357.464 3.458 20 0 FGADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)N[C@H](C1CCCC1)C(F)(F)F ZINC000822978186 606548992 /nfs/dbraw/zinc/54/89/92/606548992.db2.gz FFJOLEFEBHPTMJ-OAHLLOKOSA-N -1 3 367.375 3.037 20 0 FGADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)N[C@H](C1CCCC1)C(F)(F)F ZINC000822978186 606548994 /nfs/dbraw/zinc/54/89/94/606548994.db2.gz FFJOLEFEBHPTMJ-OAHLLOKOSA-N -1 3 367.375 3.037 20 0 FGADHM O=C(C=Cc1ccccc1)OCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000822928235 606557527 /nfs/dbraw/zinc/55/75/27/606557527.db2.gz FKUIDHMPQIUBBM-TWGQIWQCSA-N -1 3 372.331 3.225 20 0 FGADHM O=C(C=Cc1ccccc1)OCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000822928235 606557529 /nfs/dbraw/zinc/55/75/29/606557529.db2.gz FKUIDHMPQIUBBM-TWGQIWQCSA-N -1 3 372.331 3.225 20 0 FGADHM O=C(C=Cc1ccccc1)OCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000822928234 606557576 /nfs/dbraw/zinc/55/75/76/606557576.db2.gz FKUIDHMPQIUBBM-RMKNXTFCSA-N -1 3 372.331 3.225 20 0 FGADHM O=C(C=Cc1ccccc1)OCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000822928234 606557578 /nfs/dbraw/zinc/55/75/78/606557578.db2.gz FKUIDHMPQIUBBM-RMKNXTFCSA-N -1 3 372.331 3.225 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000823087085 606560600 /nfs/dbraw/zinc/56/06/00/606560600.db2.gz FZSNLLIIKLAGHN-KRWDZBQOSA-N -1 3 369.375 3.051 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000823087085 606560602 /nfs/dbraw/zinc/56/06/02/606560602.db2.gz FZSNLLIIKLAGHN-KRWDZBQOSA-N -1 3 369.375 3.051 20 0 FGADHM Cc1ccc(-c2nc(COC(=O)c3cc(-c4nnn[n-]4)cs3)co2)cc1 ZINC000822214298 606565864 /nfs/dbraw/zinc/56/58/64/606565864.db2.gz YYPKUBKSTCFABW-UHFFFAOYSA-N -1 3 367.390 3.249 20 0 FGADHM Cc1ccc(-c2nc(COC(=O)c3cc(-c4nn[n-]n4)cs3)co2)cc1 ZINC000822214298 606565865 /nfs/dbraw/zinc/56/58/65/606565865.db2.gz YYPKUBKSTCFABW-UHFFFAOYSA-N -1 3 367.390 3.249 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N1CCCCC[C@@H]1c1ccco1 ZINC000823087490 606568749 /nfs/dbraw/zinc/56/87/49/606568749.db2.gz RIYXPLQHFXHOBC-MRXNPFEDSA-N -1 3 351.410 3.146 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N1CCCCC[C@@H]1c1ccco1 ZINC000823087490 606568750 /nfs/dbraw/zinc/56/87/50/606568750.db2.gz RIYXPLQHFXHOBC-MRXNPFEDSA-N -1 3 351.410 3.146 20 0 FGADHM O=C(OCc1csc(C2CCCC2)n1)c1cc(-c2nnn[n-]2)cs1 ZINC000823440356 606569554 /nfs/dbraw/zinc/56/95/54/606569554.db2.gz PHEVXHDWKVVKAI-UHFFFAOYSA-N -1 3 361.452 3.399 20 0 FGADHM O=C(OCc1csc(C2CCCC2)n1)c1cc(-c2nn[n-]n2)cs1 ZINC000823440356 606569556 /nfs/dbraw/zinc/56/95/56/606569556.db2.gz PHEVXHDWKVVKAI-UHFFFAOYSA-N -1 3 361.452 3.399 20 0 FGADHM CCc1ccc([C@@H]2CCCCN2C(=O)Cc2cccc(-c3nnn[n-]3)c2)o1 ZINC000821480683 606570954 /nfs/dbraw/zinc/57/09/54/606570954.db2.gz CWSQSLHMUTYTTE-KRWDZBQOSA-N -1 3 365.437 3.318 20 0 FGADHM CCc1ccc([C@@H]2CCCCN2C(=O)Cc2cccc(-c3nn[n-]n3)c2)o1 ZINC000821480683 606570955 /nfs/dbraw/zinc/57/09/55/606570955.db2.gz CWSQSLHMUTYTTE-KRWDZBQOSA-N -1 3 365.437 3.318 20 0 FGADHM CN(C)C(=O)Sc1ccc(CSc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000821577875 606589278 /nfs/dbraw/zinc/58/92/78/606589278.db2.gz ATZAMSWANFGYNV-UHFFFAOYSA-N -1 3 372.479 3.328 20 0 FGADHM CN(C)C(=O)Sc1ccc(CSc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000821577875 606589281 /nfs/dbraw/zinc/58/92/81/606589281.db2.gz ATZAMSWANFGYNV-UHFFFAOYSA-N -1 3 372.479 3.328 20 0 FGADHM CCOC(=O)C[C@H](C)SCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000821325162 606590398 /nfs/dbraw/zinc/59/03/98/606590398.db2.gz CCVQEHNOEFVARI-VIFPVBQESA-N -1 3 372.397 3.043 20 0 FGADHM CCOC(=O)C[C@H](C)SCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000821325162 606590400 /nfs/dbraw/zinc/59/04/00/606590400.db2.gz CCVQEHNOEFVARI-VIFPVBQESA-N -1 3 372.397 3.043 20 0 FGADHM COc1cccc([C@H](C)CC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000821860008 606602866 /nfs/dbraw/zinc/60/28/66/606602866.db2.gz VWJTYHKEHNNCGM-LLVKDONJSA-N -1 3 355.373 3.147 20 0 FGADHM COc1cccc([C@H](C)CC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000821860008 606602867 /nfs/dbraw/zinc/60/28/67/606602867.db2.gz VWJTYHKEHNNCGM-LLVKDONJSA-N -1 3 355.373 3.147 20 0 FGADHM CC(C)CC(C)(C)C(=O)OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000820050815 606614974 /nfs/dbraw/zinc/61/49/74/606614974.db2.gz GOWGOFRIWCOFHG-UHFFFAOYSA-N -1 3 370.413 3.032 20 0 FGADHM CC(C)CC(C)(C)C(=O)OCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000820050815 606614975 /nfs/dbraw/zinc/61/49/75/606614975.db2.gz GOWGOFRIWCOFHG-UHFFFAOYSA-N -1 3 370.413 3.032 20 0 FGADHM CC1CC(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)nc2)C1 ZINC000820649441 606618483 /nfs/dbraw/zinc/61/84/83/606618483.db2.gz LTNPUZBBTNWUQQ-UHFFFAOYSA-N -1 3 350.382 3.039 20 0 FGADHM CC1CC(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)nc2)C1 ZINC000820649441 606618485 /nfs/dbraw/zinc/61/84/85/606618485.db2.gz LTNPUZBBTNWUQQ-UHFFFAOYSA-N -1 3 350.382 3.039 20 0 FGADHM CC[C@H](C)Oc1ccc(C(=O)N(C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000820876931 606627663 /nfs/dbraw/zinc/62/76/63/606627663.db2.gz WPNQDBIIOQHYKN-ZDUSSCGKSA-N -1 3 351.410 3.321 20 0 FGADHM CC[C@H](C)Oc1ccc(C(=O)N(C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000820876931 606627665 /nfs/dbraw/zinc/62/76/65/606627665.db2.gz WPNQDBIIOQHYKN-ZDUSSCGKSA-N -1 3 351.410 3.321 20 0 FGADHM COc1ccc([C@H](C)CC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000821778106 606631915 /nfs/dbraw/zinc/63/19/15/606631915.db2.gz UKDTVKJBSOEMHY-LLVKDONJSA-N -1 3 355.373 3.147 20 0 FGADHM COc1ccc([C@H](C)CC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000821778106 606631916 /nfs/dbraw/zinc/63/19/16/606631916.db2.gz UKDTVKJBSOEMHY-LLVKDONJSA-N -1 3 355.373 3.147 20 0 FGADHM Cc1sc(CCNc2ncccc2-c2nnn[n-]2)nc1-c1ccccc1 ZINC000822553871 606644384 /nfs/dbraw/zinc/64/43/84/606644384.db2.gz SGGMOXKGVZURLK-UHFFFAOYSA-N -1 3 363.450 3.348 20 0 FGADHM Cc1sc(CCNc2ncccc2-c2nn[n-]n2)nc1-c1ccccc1 ZINC000822553871 606644385 /nfs/dbraw/zinc/64/43/85/606644385.db2.gz SGGMOXKGVZURLK-UHFFFAOYSA-N -1 3 363.450 3.348 20 0 FGADHM CCN(CC(=O)Nc1sc(C)c(C)c1-c1nnn[n-]1)c1ccccc1C ZINC000821170783 606658861 /nfs/dbraw/zinc/65/88/61/606658861.db2.gz WRYRFKMPCBSPBN-UHFFFAOYSA-N -1 3 370.482 3.318 20 0 FGADHM CCN(CC(=O)Nc1sc(C)c(C)c1-c1nn[n-]n1)c1ccccc1C ZINC000821170783 606658862 /nfs/dbraw/zinc/65/88/62/606658862.db2.gz WRYRFKMPCBSPBN-UHFFFAOYSA-N -1 3 370.482 3.318 20 0 FGADHM O=C(c1cccc(-c2nnn[n-]2)c1)N1CCCCC[C@H]1[C@@H]1CCCCC1=O ZINC000823525911 606659564 /nfs/dbraw/zinc/65/95/64/606659564.db2.gz VRCDGUCYXHLWJT-IRXDYDNUSA-N -1 3 367.453 3.011 20 0 FGADHM O=C(c1cccc(-c2nn[n-]n2)c1)N1CCCCC[C@H]1[C@@H]1CCCCC1=O ZINC000823525911 606659565 /nfs/dbraw/zinc/65/95/65/606659565.db2.gz VRCDGUCYXHLWJT-IRXDYDNUSA-N -1 3 367.453 3.011 20 0 FGADHM CC(C)(C)c1csc(NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)n1 ZINC000819965318 606664914 /nfs/dbraw/zinc/66/49/14/606664914.db2.gz BDIKICFDJLZLPQ-UHFFFAOYSA-N -1 3 364.381 3.151 20 0 FGADHM CC(C)(C)c1csc(NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)n1 ZINC000819965318 606664915 /nfs/dbraw/zinc/66/49/15/606664915.db2.gz BDIKICFDJLZLPQ-UHFFFAOYSA-N -1 3 364.381 3.151 20 0 FGADHM C[C@H]1CCc2ccccc2N1C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820734749 606665974 /nfs/dbraw/zinc/66/59/74/606665974.db2.gz OIYIYRKQZYOENW-JTQLQIEISA-N -1 3 355.348 3.126 20 0 FGADHM C[C@H]1CCc2ccccc2N1C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820734749 606665975 /nfs/dbraw/zinc/66/59/75/606665975.db2.gz OIYIYRKQZYOENW-JTQLQIEISA-N -1 3 355.348 3.126 20 0 FGADHM CC[C@@H](NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1ccc(OC)cc1 ZINC000820920409 606666963 /nfs/dbraw/zinc/66/69/63/606666963.db2.gz PPHCIWFHXVTBPV-OAHLLOKOSA-N -1 3 373.363 3.035 20 0 FGADHM CC[C@@H](NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccc(OC)cc1 ZINC000820920409 606666964 /nfs/dbraw/zinc/66/69/64/606666964.db2.gz PPHCIWFHXVTBPV-OAHLLOKOSA-N -1 3 373.363 3.035 20 0 FGADHM CCOc1ccc(NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c(C)c1 ZINC000821422365 606673611 /nfs/dbraw/zinc/67/36/11/606673611.db2.gz VQPILOMYXRDCPL-UHFFFAOYSA-N -1 3 359.336 3.104 20 0 FGADHM CCOc1ccc(NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c(C)c1 ZINC000821422365 606673612 /nfs/dbraw/zinc/67/36/12/606673612.db2.gz VQPILOMYXRDCPL-UHFFFAOYSA-N -1 3 359.336 3.104 20 0 FGADHM C[C@@H](CCNC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000820242929 606675714 /nfs/dbraw/zinc/67/57/14/606675714.db2.gz RGVFGPDRTJAEMB-NSHDSACASA-N -1 3 357.364 3.069 20 0 FGADHM C[C@@H](CCNC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000820242929 606675715 /nfs/dbraw/zinc/67/57/15/606675715.db2.gz RGVFGPDRTJAEMB-NSHDSACASA-N -1 3 357.364 3.069 20 0 FGADHM O=C(Nc1ccc2scnc2c1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823359208 606675764 /nfs/dbraw/zinc/67/57/64/606675764.db2.gz KFAJXQWUPAGHLA-UHFFFAOYSA-N -1 3 358.333 3.007 20 0 FGADHM O=C(Nc1ccc2scnc2c1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823359208 606675765 /nfs/dbraw/zinc/67/57/65/606675765.db2.gz KFAJXQWUPAGHLA-UHFFFAOYSA-N -1 3 358.333 3.007 20 0 FGADHM C[C@@]1(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)CCCO1 ZINC000820576948 606678232 /nfs/dbraw/zinc/67/82/32/606678232.db2.gz DGNWNZRDKQGZLY-IBGZPJMESA-N -1 3 365.393 3.167 20 0 FGADHM C[C@@]1(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)CCCO1 ZINC000820576948 606678233 /nfs/dbraw/zinc/67/82/33/606678233.db2.gz DGNWNZRDKQGZLY-IBGZPJMESA-N -1 3 365.393 3.167 20 0 FGADHM C[C@]1(c2ccccc2)CCN(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000820637555 606696982 /nfs/dbraw/zinc/69/69/82/606696982.db2.gz ZLBOXKKXTXXXFA-IBGZPJMESA-N -1 3 366.400 3.201 20 0 FGADHM C[C@]1(c2ccccc2)CCN(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000820637555 606696983 /nfs/dbraw/zinc/69/69/83/606696983.db2.gz ZLBOXKKXTXXXFA-IBGZPJMESA-N -1 3 366.400 3.201 20 0 FGADHM CC(C)c1nnc(CNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)s1 ZINC000820206096 606722571 /nfs/dbraw/zinc/72/25/71/606722571.db2.gz DHIMCTSSOQAIOU-UHFFFAOYSA-N -1 3 369.376 3.473 20 0 FGADHM CC(C)c1nnc(CNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)s1 ZINC000820206096 606722574 /nfs/dbraw/zinc/72/25/74/606722574.db2.gz DHIMCTSSOQAIOU-UHFFFAOYSA-N -1 3 369.376 3.473 20 0 FGADHM Brc1ccccc1[C@@H]1CCCN1c1ncccc1-c1nnn[n-]1 ZINC000819688593 606726881 /nfs/dbraw/zinc/72/68/81/606726881.db2.gz KCPUFPMHFWMYLY-AWEZNQCLSA-N -1 3 371.242 3.366 20 0 FGADHM Brc1ccccc1[C@@H]1CCCN1c1ncccc1-c1nn[n-]n1 ZINC000819688593 606726882 /nfs/dbraw/zinc/72/68/82/606726882.db2.gz KCPUFPMHFWMYLY-AWEZNQCLSA-N -1 3 371.242 3.366 20 0 FGADHM C[C@@H](OC(=O)[C@@H](C)COc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820295120 606735522 /nfs/dbraw/zinc/73/55/22/606735522.db2.gz YPZAGLDWKIKPTJ-UONOGXRCSA-N -1 3 352.394 3.186 20 0 FGADHM C[C@@H](OC(=O)[C@@H](C)COc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820295120 606735524 /nfs/dbraw/zinc/73/55/24/606735524.db2.gz YPZAGLDWKIKPTJ-UONOGXRCSA-N -1 3 352.394 3.186 20 0 FGADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)c1ccc2sccc2c1 ZINC000823242278 606735547 /nfs/dbraw/zinc/73/55/47/606735547.db2.gz SSVWILPJPFQOTJ-UHFFFAOYSA-N -1 3 353.382 3.151 20 0 FGADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)c1ccc2sccc2c1 ZINC000823242278 606735548 /nfs/dbraw/zinc/73/55/48/606735548.db2.gz SSVWILPJPFQOTJ-UHFFFAOYSA-N -1 3 353.382 3.151 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)C[C@H](OCC)C(C)C ZINC000821118098 606738881 /nfs/dbraw/zinc/73/88/81/606738881.db2.gz HAVHOABXUDKESQ-INIZCTEOSA-N -1 3 360.462 3.078 20 0 FGADHM CCCCN1CCc2ccc(NC(=O)c3sccc3-c3nnn[n-]3)cc21 ZINC000821065469 606746900 /nfs/dbraw/zinc/74/69/00/606746900.db2.gz JMPYIYWQTPUZHN-UHFFFAOYSA-N -1 3 368.466 3.343 20 0 FGADHM CCCCN1CCc2ccc(NC(=O)c3sccc3-c3nn[n-]n3)cc21 ZINC000821065469 606746902 /nfs/dbraw/zinc/74/69/02/606746902.db2.gz JMPYIYWQTPUZHN-UHFFFAOYSA-N -1 3 368.466 3.343 20 0 FGADHM Cc1nc(CC(C)C)c(C(=O)OCc2ccccc2-c2nnn[n-]2)s1 ZINC000822436200 606748182 /nfs/dbraw/zinc/74/81/82/606748182.db2.gz IIMYJRQUDULFFO-UHFFFAOYSA-N -1 3 357.439 3.187 20 0 FGADHM Cc1nc(CC(C)C)c(C(=O)OCc2ccccc2-c2nn[n-]n2)s1 ZINC000822436200 606748184 /nfs/dbraw/zinc/74/81/84/606748184.db2.gz IIMYJRQUDULFFO-UHFFFAOYSA-N -1 3 357.439 3.187 20 0 FGADHM O=C(OCc1ccc(Cl)s1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823422561 606748458 /nfs/dbraw/zinc/74/84/58/606748458.db2.gz WMOHAAIJNPZNQP-UHFFFAOYSA-N -1 3 356.741 3.217 20 0 FGADHM O=C(OCc1ccc(Cl)s1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823422561 606748460 /nfs/dbraw/zinc/74/84/60/606748460.db2.gz WMOHAAIJNPZNQP-UHFFFAOYSA-N -1 3 356.741 3.217 20 0 FGADHM C[C@]1(C(=O)OCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)CCCO1 ZINC000820577340 606754852 /nfs/dbraw/zinc/75/48/52/606754852.db2.gz OSLVNAHHFSOYIM-HXUWFJFHSA-N -1 3 364.405 3.146 20 0 FGADHM C[C@]1(C(=O)OCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)CCCO1 ZINC000820577340 606754855 /nfs/dbraw/zinc/75/48/55/606754855.db2.gz OSLVNAHHFSOYIM-HXUWFJFHSA-N -1 3 364.405 3.146 20 0 FGADHM O=C(OCc1c(F)cccc1Cl)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823413979 606758165 /nfs/dbraw/zinc/75/81/65/606758165.db2.gz PQNGZWOSFXOTHA-UHFFFAOYSA-N -1 3 368.702 3.294 20 0 FGADHM O=C(OCc1c(F)cccc1Cl)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823413979 606758168 /nfs/dbraw/zinc/75/81/68/606758168.db2.gz PQNGZWOSFXOTHA-UHFFFAOYSA-N -1 3 368.702 3.294 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)NC(C)(C)C)cc1 ZINC000822136731 606776181 /nfs/dbraw/zinc/77/61/81/606776181.db2.gz PCMFJHBIGXAUFN-UHFFFAOYSA-N -1 3 351.410 3.496 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)NC(C)(C)C)cc1 ZINC000822136731 606776182 /nfs/dbraw/zinc/77/61/82/606776182.db2.gz PCMFJHBIGXAUFN-UHFFFAOYSA-N -1 3 351.410 3.496 20 0 FGADHM Cc1cccc(NC(=O)COc2cc(Cl)ccc2-c2nnn[n-]2)c1C ZINC000822323592 606779416 /nfs/dbraw/zinc/77/94/16/606779416.db2.gz JYHCHIOMZOWOHD-UHFFFAOYSA-N -1 3 357.801 3.154 20 0 FGADHM Cc1cccc(NC(=O)COc2cc(Cl)ccc2-c2nn[n-]n2)c1C ZINC000822323592 606779418 /nfs/dbraw/zinc/77/94/18/606779418.db2.gz JYHCHIOMZOWOHD-UHFFFAOYSA-N -1 3 357.801 3.154 20 0 FGADHM CCc1cccc(C)c1NC(=O)COc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821492479 606781003 /nfs/dbraw/zinc/78/10/03/606781003.db2.gz NYJAXJOCPVUBQT-UHFFFAOYSA-N -1 3 371.828 3.408 20 0 FGADHM CCc1cccc(C)c1NC(=O)COc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821492479 606781005 /nfs/dbraw/zinc/78/10/05/606781005.db2.gz NYJAXJOCPVUBQT-UHFFFAOYSA-N -1 3 371.828 3.408 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)N(C)CC2CC2)cc1 ZINC000822136313 606788148 /nfs/dbraw/zinc/78/81/48/606788148.db2.gz LHIZAXPHUOOHEE-UHFFFAOYSA-N -1 3 363.421 3.449 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)N(C)CC2CC2)cc1 ZINC000822136313 606788150 /nfs/dbraw/zinc/78/81/50/606788150.db2.gz LHIZAXPHUOOHEE-UHFFFAOYSA-N -1 3 363.421 3.449 20 0 FGADHM CC(C)OC(=O)O[C@H](C)Sc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC000820142106 606791750 /nfs/dbraw/zinc/79/17/50/606791750.db2.gz GELWOJNNQQHOGE-JTQLQIEISA-N -1 3 363.443 3.140 20 0 FGADHM CC(C)OC(=O)O[C@H](C)Sc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC000820142106 606791751 /nfs/dbraw/zinc/79/17/51/606791751.db2.gz GELWOJNNQQHOGE-JTQLQIEISA-N -1 3 363.443 3.140 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cc(-c2ccc(F)cc2)on1 ZINC000822220377 606803033 /nfs/dbraw/zinc/80/30/33/606803033.db2.gz OQBAHZDHQJEAIK-UHFFFAOYSA-N -1 3 364.340 3.222 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(-c2ccc(F)cc2)on1 ZINC000822220377 606803035 /nfs/dbraw/zinc/80/30/35/606803035.db2.gz OQBAHZDHQJEAIK-UHFFFAOYSA-N -1 3 364.340 3.222 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CC1CCSCC1 ZINC000821118787 606807227 /nfs/dbraw/zinc/80/72/27/606807227.db2.gz QYDAOIRLCUMMKE-UHFFFAOYSA-N -1 3 360.487 3.160 20 0 FGADHM O=C(NC[C@H]1CCCS1)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000823175152 606810088 /nfs/dbraw/zinc/81/00/88/606810088.db2.gz BATZXZVSBDCFKD-CYBMUJFWSA-N -1 3 365.462 3.159 20 0 FGADHM O=C(NC[C@H]1CCCS1)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000823175152 606810089 /nfs/dbraw/zinc/81/00/89/606810089.db2.gz BATZXZVSBDCFKD-CYBMUJFWSA-N -1 3 365.462 3.159 20 0 FGADHM CSc1cc(C)ccc1CNC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000821977209 606834879 /nfs/dbraw/zinc/83/48/79/606834879.db2.gz FAMMGHSBIUFUJV-UHFFFAOYSA-N -1 3 372.429 3.358 20 0 FGADHM CSc1cc(C)ccc1CNC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821977209 606834880 /nfs/dbraw/zinc/83/48/80/606834880.db2.gz FAMMGHSBIUFUJV-UHFFFAOYSA-N -1 3 372.429 3.358 20 0 FGADHM CC(C)(C)c1nnc(CSCCCOc2cccc(-c3nnn[n-]3)c2)o1 ZINC000819971488 606842319 /nfs/dbraw/zinc/84/23/19/606842319.db2.gz MXLOULWDDMWPRT-UHFFFAOYSA-N -1 3 374.470 3.250 20 0 FGADHM CC(C)(C)c1nnc(CSCCCOc2cccc(-c3nn[n-]n3)c2)o1 ZINC000819971488 606842320 /nfs/dbraw/zinc/84/23/20/606842320.db2.gz MXLOULWDDMWPRT-UHFFFAOYSA-N -1 3 374.470 3.250 20 0 FGADHM CCCC(O)(CCC)CC(=O)N(CC)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821023001 606856912 /nfs/dbraw/zinc/85/69/12/606856912.db2.gz VEBCFWWVFSEHQJ-HNNXBMFYSA-N -1 3 373.501 3.498 20 0 FGADHM CCCC(O)(CCC)CC(=O)N(CC)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821023001 606856913 /nfs/dbraw/zinc/85/69/13/606856913.db2.gz VEBCFWWVFSEHQJ-HNNXBMFYSA-N -1 3 373.501 3.498 20 0 FGADHM CCOCCC1(C(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)CCCC1 ZINC000821373453 606865123 /nfs/dbraw/zinc/86/51/23/606865123.db2.gz IBDMFAIDTDGFQF-CQSZACIVSA-N -1 3 357.458 3.031 20 0 FGADHM CCOCCC1(C(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC000821373453 606865124 /nfs/dbraw/zinc/86/51/24/606865124.db2.gz IBDMFAIDTDGFQF-CQSZACIVSA-N -1 3 357.458 3.031 20 0 FGADHM CCOc1ccc(OC)cc1NCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000821427154 606865144 /nfs/dbraw/zinc/86/51/44/606865144.db2.gz NBPFSPBYKUFGSP-UHFFFAOYSA-N -1 3 369.425 3.155 20 0 FGADHM CCOc1ccc(OC)cc1NCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000821427154 606865145 /nfs/dbraw/zinc/86/51/45/606865145.db2.gz NBPFSPBYKUFGSP-UHFFFAOYSA-N -1 3 369.425 3.155 20 0 FGADHM CC(C)C[C@H]1CCCCN1C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000820061833 606867442 /nfs/dbraw/zinc/86/74/42/606867442.db2.gz GHTOZPWYWLLYOD-OAHLLOKOSA-N -1 3 360.437 3.116 20 0 FGADHM CC(C)C[C@H]1CCCCN1C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000820061833 606867444 /nfs/dbraw/zinc/86/74/44/606867444.db2.gz GHTOZPWYWLLYOD-OAHLLOKOSA-N -1 3 360.437 3.116 20 0 FGADHM CC(C)C[C@@H]1CCCCN1C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000820061830 606867518 /nfs/dbraw/zinc/86/75/18/606867518.db2.gz GHTOZPWYWLLYOD-HNNXBMFYSA-N -1 3 360.437 3.116 20 0 FGADHM CC(C)C[C@@H]1CCCCN1C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000820061830 606867520 /nfs/dbraw/zinc/86/75/20/606867520.db2.gz GHTOZPWYWLLYOD-HNNXBMFYSA-N -1 3 360.437 3.116 20 0 FGADHM CC(C)C[C@@H]1CCCCN1C(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000820062435 606880362 /nfs/dbraw/zinc/88/03/62/606880362.db2.gz MCRYOZNMTLGYJW-CABCVRRESA-N -1 3 357.458 3.061 20 0 FGADHM CC(C)C[C@@H]1CCCCN1C(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000820062435 606880363 /nfs/dbraw/zinc/88/03/63/606880363.db2.gz MCRYOZNMTLGYJW-CABCVRRESA-N -1 3 357.458 3.061 20 0 FGADHM COc1cc(NCc2ccc(F)c(-c3nnn[n-]3)c2)c(OC)cc1Cl ZINC000821724705 606926542 /nfs/dbraw/zinc/92/65/42/606926542.db2.gz WTVCCLBOZCCBIZ-UHFFFAOYSA-N -1 3 363.780 3.289 20 0 FGADHM COc1cc(NCc2ccc(F)c(-c3nn[n-]n3)c2)c(OC)cc1Cl ZINC000821724705 606926544 /nfs/dbraw/zinc/92/65/44/606926544.db2.gz WTVCCLBOZCCBIZ-UHFFFAOYSA-N -1 3 363.780 3.289 20 0 FGADHM CC(C)[C@@H]1c2ccccc2CCN1C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820051648 606940821 /nfs/dbraw/zinc/94/08/21/606940821.db2.gz SJIUBTAVERLGMF-HXUWFJFHSA-N -1 3 361.449 3.191 20 0 FGADHM CC(C)[C@@H]1c2ccccc2CCN1C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820051648 606940822 /nfs/dbraw/zinc/94/08/22/606940822.db2.gz SJIUBTAVERLGMF-HXUWFJFHSA-N -1 3 361.449 3.191 20 0 FGADHM FC(F)(F)c1ccc(N2CCC(OCC3CC3)CC2)c(-c2nnn[n-]2)c1 ZINC000822723224 606941273 /nfs/dbraw/zinc/94/12/73/606941273.db2.gz AJRMBCNINYJUST-UHFFFAOYSA-N -1 3 367.375 3.281 20 0 FGADHM FC(F)(F)c1ccc(N2CCC(OCC3CC3)CC2)c(-c2nn[n-]n2)c1 ZINC000822723224 606941274 /nfs/dbraw/zinc/94/12/74/606941274.db2.gz AJRMBCNINYJUST-UHFFFAOYSA-N -1 3 367.375 3.281 20 0 FGADHM Cc1ccc(CNc2cccc(F)c2-c2nnn[n-]2)c(O[C@@H]2CCOC2)c1 ZINC000822238374 606947757 /nfs/dbraw/zinc/94/77/57/606947757.db2.gz FGCKLHIDLQSESG-CQSZACIVSA-N -1 3 369.400 3.094 20 0 FGADHM Cc1ccc(CNc2cccc(F)c2-c2nn[n-]n2)c(O[C@@H]2CCOC2)c1 ZINC000822238374 606947759 /nfs/dbraw/zinc/94/77/59/606947759.db2.gz FGCKLHIDLQSESG-CQSZACIVSA-N -1 3 369.400 3.094 20 0 FGADHM C[C@@H](C(=O)OCCCOc1cccc(-c2nnn[n-]2)c1)c1cccs1 ZINC000819882887 606949460 /nfs/dbraw/zinc/94/94/60/606949460.db2.gz CJFUJPIJWFTKQT-GFCCVEGCSA-N -1 3 358.423 3.044 20 0 FGADHM C[C@@H](C(=O)OCCCOc1cccc(-c2nn[n-]n2)c1)c1cccs1 ZINC000819882887 606949461 /nfs/dbraw/zinc/94/94/61/606949461.db2.gz CJFUJPIJWFTKQT-GFCCVEGCSA-N -1 3 358.423 3.044 20 0 FGADHM Cc1ccc(CC(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)cc1C ZINC000822233036 606959913 /nfs/dbraw/zinc/95/99/13/606959913.db2.gz GUOKMIZXAPHTBJ-UHFFFAOYSA-N -1 3 355.829 3.342 20 0 FGADHM Cc1ccc(CC(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)cc1C ZINC000822233036 606959914 /nfs/dbraw/zinc/95/99/14/606959914.db2.gz GUOKMIZXAPHTBJ-UHFFFAOYSA-N -1 3 355.829 3.342 20 0 FGADHM C[C@H](C(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1)c1cccc(F)c1 ZINC000819857465 606962422 /nfs/dbraw/zinc/96/24/22/606962422.db2.gz RYEOEGGIVDHCSR-JTQLQIEISA-N -1 3 359.792 3.426 20 0 FGADHM C[C@H](C(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1)c1cccc(F)c1 ZINC000819857465 606962423 /nfs/dbraw/zinc/96/24/23/606962423.db2.gz RYEOEGGIVDHCSR-JTQLQIEISA-N -1 3 359.792 3.426 20 0 FGADHM O=C(c1ccccc1)C1CCN(Cc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000823493945 606963226 /nfs/dbraw/zinc/96/32/26/606963226.db2.gz WRVKDBKJHQBYJF-UHFFFAOYSA-N -1 3 365.412 3.101 20 0 FGADHM Fc1ccc(CSCc2cccc3nsnc32)c(-c2nnn[n-]2)c1 ZINC000822775489 606987837 /nfs/dbraw/zinc/98/78/37/606987837.db2.gz XEJIPBPYRZQVFQ-UHFFFAOYSA-N -1 3 358.427 3.444 20 0 FGADHM Fc1ccc(CSCc2cccc3nsnc32)c(-c2nn[n-]n2)c1 ZINC000822775489 606987838 /nfs/dbraw/zinc/98/78/38/606987838.db2.gz XEJIPBPYRZQVFQ-UHFFFAOYSA-N -1 3 358.427 3.444 20 0 FGADHM CC(=CC(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC000819764856 606996479 /nfs/dbraw/zinc/99/64/79/606996479.db2.gz LOQZFRAZNPGPEV-DHZHZOJOSA-N -1 3 356.332 3.292 20 0 FGADHM CC(=CC(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC000819764856 606996480 /nfs/dbraw/zinc/99/64/80/606996480.db2.gz LOQZFRAZNPGPEV-DHZHZOJOSA-N -1 3 356.332 3.292 20 0 FGADHM Cc1ccc2c(C(=O)OCc3ccc(F)c(-c4nnn[n-]4)c3)c[nH]c2c1 ZINC000822275417 606997373 /nfs/dbraw/zinc/99/73/73/606997373.db2.gz UODPNZJBSBLKOL-UHFFFAOYSA-N -1 3 351.341 3.153 20 0 FGADHM Cc1ccc2c(C(=O)OCc3ccc(F)c(-c4nn[n-]n4)c3)c[nH]c2c1 ZINC000822275417 606997374 /nfs/dbraw/zinc/99/73/74/606997374.db2.gz UODPNZJBSBLKOL-UHFFFAOYSA-N -1 3 351.341 3.153 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)[C@H]1C[C@H]1c1c(F)cccc1F ZINC000823422338 607000684 /nfs/dbraw/zinc/00/06/84/607000684.db2.gz QYICBWLIPCVRLE-MNOVXSKESA-N -1 3 374.322 3.131 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)[C@H]1C[C@H]1c1c(F)cccc1F ZINC000823422338 607000686 /nfs/dbraw/zinc/00/06/86/607000686.db2.gz QYICBWLIPCVRLE-MNOVXSKESA-N -1 3 374.322 3.131 20 0 FGADHM CC[C@@H](Oc1cccc(C)c1)C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820938897 607001443 /nfs/dbraw/zinc/00/14/43/607001443.db2.gz OGQDVGZHHFXIMC-QGZVFWFLSA-N -1 3 370.384 3.215 20 0 FGADHM CC[C@@H](Oc1cccc(C)c1)C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820938897 607001444 /nfs/dbraw/zinc/00/14/44/607001444.db2.gz OGQDVGZHHFXIMC-QGZVFWFLSA-N -1 3 370.384 3.215 20 0 FGADHM CC(C)CNc1nnc(SCc2ccc(F)c(-c3nnn[n-]3)c2)s1 ZINC000820097366 607006313 /nfs/dbraw/zinc/00/63/13/607006313.db2.gz NTYQEWRSGIZHBQ-UHFFFAOYSA-N -1 3 365.463 3.218 20 0 FGADHM CC(C)CNc1nnc(SCc2ccc(F)c(-c3nn[n-]n3)c2)s1 ZINC000820097366 607006315 /nfs/dbraw/zinc/00/63/15/607006315.db2.gz NTYQEWRSGIZHBQ-UHFFFAOYSA-N -1 3 365.463 3.218 20 0 FGADHM Fc1ccc(COc2c(F)c(F)c(F)c(F)c2F)cc1-c1nnn[n-]1 ZINC000822771947 607008748 /nfs/dbraw/zinc/00/87/48/607008748.db2.gz MOHFCDRATFLBNY-UHFFFAOYSA-N -1 3 360.217 3.280 20 0 FGADHM Fc1ccc(COc2c(F)c(F)c(F)c(F)c2F)cc1-c1nn[n-]n1 ZINC000822771947 607008750 /nfs/dbraw/zinc/00/87/50/607008750.db2.gz MOHFCDRATFLBNY-UHFFFAOYSA-N -1 3 360.217 3.280 20 0 FGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)c1ccc(-c2ccco2)s1 ZINC000823250402 607023715 /nfs/dbraw/zinc/02/37/15/607023715.db2.gz XADTYOGYYHSWPG-UHFFFAOYSA-N -1 3 369.381 3.257 20 0 FGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)c1ccc(-c2ccco2)s1 ZINC000823250402 607023718 /nfs/dbraw/zinc/02/37/18/607023718.db2.gz XADTYOGYYHSWPG-UHFFFAOYSA-N -1 3 369.381 3.257 20 0 FGADHM O[C@]12CCCC[C@@H]1CN(c1ccc(-c3nn[n-]n3)cc1C(F)(F)F)CC2 ZINC000823699986 607034202 /nfs/dbraw/zinc/03/42/02/607034202.db2.gz YTHJGXUMAVGLIP-WBMJQRKESA-N -1 3 367.375 3.017 20 0 FGADHM Cn1c(SCc2cc(F)ccc2-c2nnn[n-]2)nnc1-c1cccs1 ZINC000822605053 607038105 /nfs/dbraw/zinc/03/81/05/607038105.db2.gz WNJNGTLVPZEZTE-UHFFFAOYSA-N -1 3 373.442 3.155 20 0 FGADHM Cn1c(SCc2cc(F)ccc2-c2nn[n-]n2)nnc1-c1cccs1 ZINC000822605053 607038106 /nfs/dbraw/zinc/03/81/06/607038106.db2.gz WNJNGTLVPZEZTE-UHFFFAOYSA-N -1 3 373.442 3.155 20 0 FGADHM CC[C@@H]1CCC[C@H](NC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820972939 607043274 /nfs/dbraw/zinc/04/32/74/607043274.db2.gz SDRJZJNHSWTTSL-HIFRSBDPSA-N -1 3 357.458 3.109 20 0 FGADHM CC[C@@H]1CCC[C@H](NC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820972939 607043276 /nfs/dbraw/zinc/04/32/76/607043276.db2.gz SDRJZJNHSWTTSL-HIFRSBDPSA-N -1 3 357.458 3.109 20 0 FGADHM C[C@H](Nc1ccc(-c2nnn[n-]2)nc1)c1ccc(OCC2CC2)c(F)c1 ZINC000820456928 607045627 /nfs/dbraw/zinc/04/56/27/607045627.db2.gz XHDFDIAQEHUBEI-NSHDSACASA-N -1 3 354.389 3.363 20 0 FGADHM C[C@H](Nc1ccc(-c2nn[n-]n2)nc1)c1ccc(OCC2CC2)c(F)c1 ZINC000820456928 607045628 /nfs/dbraw/zinc/04/56/28/607045628.db2.gz XHDFDIAQEHUBEI-NSHDSACASA-N -1 3 354.389 3.363 20 0 FGADHM O[C@@H](C[C@H]1CCCCCN1c1cccc(F)c1-c1nnn[n-]1)c1ccco1 ZINC000823672103 607047957 /nfs/dbraw/zinc/04/79/57/607047957.db2.gz AMLPWTIPAUEGQD-CJNGLKHVSA-N -1 3 371.416 3.472 20 0 FGADHM O[C@@H](C[C@H]1CCCCCN1c1cccc(F)c1-c1nn[n-]n1)c1ccco1 ZINC000823672103 607047958 /nfs/dbraw/zinc/04/79/58/607047958.db2.gz AMLPWTIPAUEGQD-CJNGLKHVSA-N -1 3 371.416 3.472 20 0 FGADHM C[C@H](NCc1ccc(-c2nnn[n-]2)o1)c1ccc(OCC2CC2)c(F)c1 ZINC000820433524 607053528 /nfs/dbraw/zinc/05/35/28/607053528.db2.gz YMQVHDSULGMYDE-NSHDSACASA-N -1 3 357.389 3.238 20 0 FGADHM C[C@H](NCc1ccc(-c2nn[n-]n2)o1)c1ccc(OCC2CC2)c(F)c1 ZINC000820433524 607053530 /nfs/dbraw/zinc/05/35/30/607053530.db2.gz YMQVHDSULGMYDE-NSHDSACASA-N -1 3 357.389 3.238 20 0 FGADHM CCC[C@@H]1CCCN(C(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000821039606 607062148 /nfs/dbraw/zinc/06/21/48/607062148.db2.gz FJWQPGUGSSLJRB-CQSZACIVSA-N -1 3 357.458 3.063 20 0 FGADHM CCC[C@@H]1CCCN(C(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821039606 607062150 /nfs/dbraw/zinc/06/21/50/607062150.db2.gz FJWQPGUGSSLJRB-CQSZACIVSA-N -1 3 357.458 3.063 20 0 FGADHM Cc1cccc([C@H]2CCCN2C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)n1 ZINC000822299802 607071487 /nfs/dbraw/zinc/07/14/87/607071487.db2.gz VFVRDIKXVGYXRX-MRXNPFEDSA-N -1 3 367.388 3.078 20 0 FGADHM Cc1cccc([C@H]2CCCN2C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)n1 ZINC000822299802 607071489 /nfs/dbraw/zinc/07/14/89/607071489.db2.gz VFVRDIKXVGYXRX-MRXNPFEDSA-N -1 3 367.388 3.078 20 0 FGADHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000823413446 607079827 /nfs/dbraw/zinc/07/98/27/607079827.db2.gz HSJKMXOBEQDAPU-KOLCDFICSA-N -1 3 372.322 3.418 20 0 FGADHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000823413446 607079829 /nfs/dbraw/zinc/07/98/29/607079829.db2.gz HSJKMXOBEQDAPU-KOLCDFICSA-N -1 3 372.322 3.418 20 0 FGADHM Cc1ccc(C)c(OC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822231948 607079937 /nfs/dbraw/zinc/07/99/37/607079937.db2.gz NVUMSLNEISNVIW-UHFFFAOYSA-N -1 3 352.394 3.247 20 0 FGADHM Cc1ccc(C)c(OC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822231948 607079938 /nfs/dbraw/zinc/07/99/38/607079938.db2.gz NVUMSLNEISNVIW-UHFFFAOYSA-N -1 3 352.394 3.247 20 0 FGADHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)c1cc(Cl)nc(Cl)c1 ZINC000823413767 607084743 /nfs/dbraw/zinc/08/47/43/607084743.db2.gz MQMRFIRHHVATAB-UHFFFAOYSA-N -1 3 368.155 3.065 20 0 FGADHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)c1cc(Cl)nc(Cl)c1 ZINC000823413767 607084745 /nfs/dbraw/zinc/08/47/45/607084745.db2.gz MQMRFIRHHVATAB-UHFFFAOYSA-N -1 3 368.155 3.065 20 0 FGADHM O=C(/C=C/SCc1ccco1)OCc1ccc(-c2nnn[n-]2)cc1F ZINC000822922185 607114016 /nfs/dbraw/zinc/11/40/16/607114016.db2.gz CULRONGVJWWDHK-FNORWQNLSA-N -1 3 360.370 3.089 20 0 FGADHM O=C(/C=C/SCc1ccco1)OCc1ccc(-c2nn[n-]n2)cc1F ZINC000822922185 607114017 /nfs/dbraw/zinc/11/40/17/607114017.db2.gz CULRONGVJWWDHK-FNORWQNLSA-N -1 3 360.370 3.089 20 0 FGADHM O=C(/C=C\SCc1ccco1)OCc1ccc(-c2nnn[n-]2)cc1F ZINC000822922184 607114030 /nfs/dbraw/zinc/11/40/30/607114030.db2.gz CULRONGVJWWDHK-ALCCZGGFSA-N -1 3 360.370 3.089 20 0 FGADHM O=C(/C=C\SCc1ccco1)OCc1ccc(-c2nn[n-]n2)cc1F ZINC000822922184 607114031 /nfs/dbraw/zinc/11/40/31/607114031.db2.gz CULRONGVJWWDHK-ALCCZGGFSA-N -1 3 360.370 3.089 20 0 FGADHM C[C@H]1CN(Cc2cc(-c3nnn[n-]3)ccc2F)C[C@H](c2ccsc2)O1 ZINC000820759567 607122463 /nfs/dbraw/zinc/12/24/63/607122463.db2.gz LSTQRMWDQBXWMW-MEDUHNTESA-N -1 3 359.430 3.029 20 0 FGADHM C[C@H]1CN(Cc2cc(-c3nn[n-]n3)ccc2F)C[C@H](c2ccsc2)O1 ZINC000820759567 607122465 /nfs/dbraw/zinc/12/24/65/607122465.db2.gz LSTQRMWDQBXWMW-MEDUHNTESA-N -1 3 359.430 3.029 20 0 FGADHM FC(F)(F)c1cc(N[C@@H]2CCOC3(CCC3)C2)ccc1-c1nnn[n-]1 ZINC000822723416 607132846 /nfs/dbraw/zinc/13/28/46/607132846.db2.gz DHISHWKCZCBQOD-LLVKDONJSA-N -1 3 353.348 3.399 20 0 FGADHM FC(F)(F)c1cc(N[C@@H]2CCOC3(CCC3)C2)ccc1-c1nn[n-]n1 ZINC000822723416 607132848 /nfs/dbraw/zinc/13/28/48/607132848.db2.gz DHISHWKCZCBQOD-LLVKDONJSA-N -1 3 353.348 3.399 20 0 FGADHM C[C@H](Oc1ccc(-c2nnn[n-]2)cc1F)c1nnc(-c2ccccc2)o1 ZINC000820535596 607137708 /nfs/dbraw/zinc/13/77/08/607137708.db2.gz PHUNWFAOSSATGJ-JTQLQIEISA-N -1 3 352.329 3.196 20 0 FGADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1F)c1nnc(-c2ccccc2)o1 ZINC000820535596 607137710 /nfs/dbraw/zinc/13/77/10/607137710.db2.gz PHUNWFAOSSATGJ-JTQLQIEISA-N -1 3 352.329 3.196 20 0 FGADHM C[C@@H](SCc1ccccc1-c1nnn[n-]1)c1cn(-c2ccccc2)nn1 ZINC000820549710 607150489 /nfs/dbraw/zinc/15/04/89/607150489.db2.gz QOQSEBICRXHJCB-CYBMUJFWSA-N -1 3 363.450 3.442 20 0 FGADHM C[C@@H](SCc1ccccc1-c1nn[n-]n1)c1cn(-c2ccccc2)nn1 ZINC000820549710 607150491 /nfs/dbraw/zinc/15/04/91/607150491.db2.gz QOQSEBICRXHJCB-CYBMUJFWSA-N -1 3 363.450 3.442 20 0 FGADHM Cc1cccc(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)c1F ZINC000822284558 607152452 /nfs/dbraw/zinc/15/24/52/607152452.db2.gz UXWYBVYHYDVNFP-UHFFFAOYSA-N -1 3 351.385 3.119 20 0 FGADHM Cc1cccc(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)c1F ZINC000822284558 607152453 /nfs/dbraw/zinc/15/24/53/607152453.db2.gz UXWYBVYHYDVNFP-UHFFFAOYSA-N -1 3 351.385 3.119 20 0 FGADHM C[C@@H](NC(=O)Cc1ccc(F)cc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000820335363 607156391 /nfs/dbraw/zinc/15/63/91/607156391.db2.gz WYDWRAJRBGVVJF-SNVBAGLBSA-N -1 3 359.792 3.079 20 0 FGADHM C[C@@H](NC(=O)Cc1ccc(F)cc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000820335363 607156392 /nfs/dbraw/zinc/15/63/92/607156392.db2.gz WYDWRAJRBGVVJF-SNVBAGLBSA-N -1 3 359.792 3.079 20 0 FGADHM Cc1cc(OC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)ccc1F ZINC000822210948 607158714 /nfs/dbraw/zinc/15/87/14/607158714.db2.gz YFWUMDVNSXTHPS-UHFFFAOYSA-N -1 3 370.384 3.469 20 0 FGADHM Cc1cc(OC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)ccc1F ZINC000822210948 607158715 /nfs/dbraw/zinc/15/87/15/607158715.db2.gz YFWUMDVNSXTHPS-UHFFFAOYSA-N -1 3 370.384 3.469 20 0 FGADHM Fc1c(Cl)cccc1NCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000822736725 607166084 /nfs/dbraw/zinc/16/60/84/607166084.db2.gz JBUKJWQUWNVGJI-UHFFFAOYSA-N -1 3 371.763 3.321 20 0 FGADHM Fc1c(Cl)cccc1NCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000822736725 607166086 /nfs/dbraw/zinc/16/60/86/607166086.db2.gz JBUKJWQUWNVGJI-UHFFFAOYSA-N -1 3 371.763 3.321 20 0 FGADHM CCS[C@H](C)c1noc(CSc2ccc(-c3nnn[n-]3)cc2F)n1 ZINC000821447028 607168707 /nfs/dbraw/zinc/16/87/07/607168707.db2.gz HDSFSGYEZYGKNL-MRVPVSSYSA-N -1 3 366.447 3.495 20 0 FGADHM CCS[C@H](C)c1noc(CSc2ccc(-c3nn[n-]n3)cc2F)n1 ZINC000821447028 607168709 /nfs/dbraw/zinc/16/87/09/607168709.db2.gz HDSFSGYEZYGKNL-MRVPVSSYSA-N -1 3 366.447 3.495 20 0 FGADHM O=C(Nc1cccc2oc(C(F)(F)F)nc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000823368308 607187204 /nfs/dbraw/zinc/18/72/04/607187204.db2.gz UENHYUNBPDZVPL-UHFFFAOYSA-N -1 3 374.282 3.279 20 0 FGADHM O=C(Nc1cccc2oc(C(F)(F)F)nc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000823368308 607187205 /nfs/dbraw/zinc/18/72/05/607187205.db2.gz UENHYUNBPDZVPL-UHFFFAOYSA-N -1 3 374.282 3.279 20 0 FGADHM O=C(CCOc1ccc(F)cc1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000822974363 607189474 /nfs/dbraw/zinc/18/94/74/607189474.db2.gz JAQRRORAMCCZFT-UHFFFAOYSA-N -1 3 361.764 3.067 20 0 FGADHM O=C(CCOc1ccc(F)cc1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822974363 607189475 /nfs/dbraw/zinc/18/94/75/607189475.db2.gz JAQRRORAMCCZFT-UHFFFAOYSA-N -1 3 361.764 3.067 20 0 FGADHM COc1ccc(CCCC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000821790429 607190815 /nfs/dbraw/zinc/19/08/15/607190815.db2.gz NOSPBUSUHCSLGT-UHFFFAOYSA-N -1 3 371.828 3.490 20 0 FGADHM COc1ccc(CCCC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000821790429 607190816 /nfs/dbraw/zinc/19/08/16/607190816.db2.gz NOSPBUSUHCSLGT-UHFFFAOYSA-N -1 3 371.828 3.490 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N(Cc1ccncc1)C1CC1 ZINC000823313424 607201348 /nfs/dbraw/zinc/20/13/48/607201348.db2.gz AJAROPKIWDDJRX-UHFFFAOYSA-N -1 3 369.816 3.112 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N(Cc1ccncc1)C1CC1 ZINC000823313424 607201349 /nfs/dbraw/zinc/20/13/49/607201349.db2.gz AJAROPKIWDDJRX-UHFFFAOYSA-N -1 3 369.816 3.112 20 0 FGADHM CCC[C@@H](C)[C@H]1CCCN1C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000821015668 607206413 /nfs/dbraw/zinc/20/64/13/607206413.db2.gz RXRLRMYPGITPKO-MLGOLLRUSA-N -1 3 360.437 3.116 20 0 FGADHM CCC[C@@H](C)[C@H]1CCCN1C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000821015668 607206414 /nfs/dbraw/zinc/20/64/14/607206414.db2.gz RXRLRMYPGITPKO-MLGOLLRUSA-N -1 3 360.437 3.116 20 0 FGADHM C[C@H](CNc1cc(-c2nnn[n-]2)ccc1C(F)(F)F)CC1(C)OCCO1 ZINC000820276355 607227857 /nfs/dbraw/zinc/22/78/57/607227857.db2.gz VNQKMBOOTGVXLB-JTQLQIEISA-N -1 3 371.363 3.087 20 0 FGADHM C[C@H](CNc1cc(-c2nn[n-]n2)ccc1C(F)(F)F)CC1(C)OCCO1 ZINC000820276355 607227858 /nfs/dbraw/zinc/22/78/58/607227858.db2.gz VNQKMBOOTGVXLB-JTQLQIEISA-N -1 3 371.363 3.087 20 0 FGADHM C[C@H](Cc1cccc(F)c1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820300345 607241128 /nfs/dbraw/zinc/24/11/28/607241128.db2.gz QBLDLTQKJSPKKT-SNVBAGLBSA-N -1 3 359.792 3.477 20 0 FGADHM C[C@H](Cc1cccc(F)c1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820300345 607241129 /nfs/dbraw/zinc/24/11/29/607241129.db2.gz QBLDLTQKJSPKKT-SNVBAGLBSA-N -1 3 359.792 3.477 20 0 FGADHM O=C(CCSc1ccccc1F)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000822974317 607248986 /nfs/dbraw/zinc/24/89/86/607248986.db2.gz GWIJMMYISAPAGL-UHFFFAOYSA-N -1 3 362.361 3.233 20 0 FGADHM O=C(CCSc1ccccc1F)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000822974317 607248987 /nfs/dbraw/zinc/24/89/87/607248987.db2.gz GWIJMMYISAPAGL-UHFFFAOYSA-N -1 3 362.361 3.233 20 0 FGADHM Cc1c(NC(=S)NC23CC4CC(CC(C4)C2)C3)cccc1-c1nnn[n-]1 ZINC000822116530 607252318 /nfs/dbraw/zinc/25/23/18/607252318.db2.gz SRJJYXWKIVCANH-UHFFFAOYSA-N -1 3 368.510 3.430 20 0 FGADHM Cc1c(NC(=S)NC23CC4CC(CC(C4)C2)C3)cccc1-c1nn[n-]n1 ZINC000822116530 607252319 /nfs/dbraw/zinc/25/23/19/607252319.db2.gz SRJJYXWKIVCANH-UHFFFAOYSA-N -1 3 368.510 3.430 20 0 FGADHM CN(C(=O)CCCc1ccc(F)c(F)c1)c1ccccc1-c1nnn[n-]1 ZINC000825817711 607789934 /nfs/dbraw/zinc/78/99/34/607789934.db2.gz NEFBTXGLGFQDTA-UHFFFAOYSA-N -1 3 357.364 3.131 20 0 FGADHM CN(C(=O)CCCc1ccc(F)c(F)c1)c1ccccc1-c1nn[n-]n1 ZINC000825817711 607789935 /nfs/dbraw/zinc/78/99/35/607789935.db2.gz NEFBTXGLGFQDTA-UHFFFAOYSA-N -1 3 357.364 3.131 20 0 FGADHM Cc1cc(N(C)C)cc(C)c1NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000826269038 607791737 /nfs/dbraw/zinc/79/17/37/607791737.db2.gz YGOKDFCWUASSIT-UHFFFAOYSA-N -1 3 372.379 3.080 20 0 FGADHM Cc1cc(N(C)C)cc(C)c1NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826269038 607791738 /nfs/dbraw/zinc/79/17/38/607791738.db2.gz YGOKDFCWUASSIT-UHFFFAOYSA-N -1 3 372.379 3.080 20 0 FGADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C(C1CC1)C1CC1 ZINC000824255583 607793581 /nfs/dbraw/zinc/79/35/81/607793581.db2.gz OQGSZEJRTABJRT-UHFFFAOYSA-N -1 3 353.470 3.288 20 0 FGADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C(C1CC1)C1CC1 ZINC000824255583 607793582 /nfs/dbraw/zinc/79/35/82/607793582.db2.gz OQGSZEJRTABJRT-UHFFFAOYSA-N -1 3 353.470 3.288 20 0 FGADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCC(C)(C)C1CCCC1 ZINC000825971536 607794096 /nfs/dbraw/zinc/79/40/96/607794096.db2.gz KNJBOHLQBZMOTN-UHFFFAOYSA-N -1 3 356.474 3.225 20 0 FGADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCC(C)(C)C1CCCC1 ZINC000825971536 607794097 /nfs/dbraw/zinc/79/40/97/607794097.db2.gz KNJBOHLQBZMOTN-UHFFFAOYSA-N -1 3 356.474 3.225 20 0 FGADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)NCCC1=CCCC1 ZINC000826406392 607795065 /nfs/dbraw/zinc/79/50/65/607795065.db2.gz UZGKWSLBBPSYQA-UHFFFAOYSA-N -1 3 355.442 3.032 20 0 FGADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)NCCC1=CCCC1 ZINC000826406392 607795066 /nfs/dbraw/zinc/79/50/66/607795066.db2.gz UZGKWSLBBPSYQA-UHFFFAOYSA-N -1 3 355.442 3.032 20 0 FGADHM CCN(C(=O)[C@H]1C[C@@H]1c1cccc(OC)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367798 607796370 /nfs/dbraw/zinc/79/63/70/607796370.db2.gz WZWWWMARCONXBV-MSOLQXFVSA-N -1 3 363.421 3.032 20 0 FGADHM CCN(C(=O)[C@H]1C[C@@H]1c1cccc(OC)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367798 607796371 /nfs/dbraw/zinc/79/63/71/607796371.db2.gz WZWWWMARCONXBV-MSOLQXFVSA-N -1 3 363.421 3.032 20 0 FGADHM CCN(C(=O)c1oc(-c2ccccc2)nc1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825390821 607796838 /nfs/dbraw/zinc/79/68/38/607796838.db2.gz NHZZILITZBFVHK-UHFFFAOYSA-N -1 3 374.404 3.497 20 0 FGADHM CCN(C(=O)c1oc(-c2ccccc2)nc1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825390821 607796839 /nfs/dbraw/zinc/79/68/39/607796839.db2.gz NHZZILITZBFVHK-UHFFFAOYSA-N -1 3 374.404 3.497 20 0 FGADHM CCN(C(=O)[C@@H]1C[C@H]1c1c(F)cccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367138 607797238 /nfs/dbraw/zinc/79/72/38/607797238.db2.gz JPQYSUXEQLYTOU-ZIAGYGMSSA-N -1 3 369.375 3.302 20 0 FGADHM CCN(C(=O)[C@@H]1C[C@H]1c1c(F)cccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367138 607797239 /nfs/dbraw/zinc/79/72/39/607797239.db2.gz JPQYSUXEQLYTOU-ZIAGYGMSSA-N -1 3 369.375 3.302 20 0 FGADHM CCN(C(=O)[C@@H](C)Cc1ccc(F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825361561 607799545 /nfs/dbraw/zinc/79/95/45/607799545.db2.gz FGOCGWPAJNOSQC-ZDUSSCGKSA-N -1 3 353.401 3.238 20 0 FGADHM CCN(C(=O)[C@@H](C)Cc1ccc(F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825361561 607799546 /nfs/dbraw/zinc/79/95/46/607799546.db2.gz FGOCGWPAJNOSQC-ZDUSSCGKSA-N -1 3 353.401 3.238 20 0 FGADHM CC(C)[C@H]1CC[C@H](C(=O)OCC(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824343153 607804357 /nfs/dbraw/zinc/80/43/57/607804357.db2.gz ZGDJZLVFULXKGO-SAZUREKKSA-N -1 3 356.426 3.055 20 0 FGADHM CC(C)[C@H]1CC[C@H](C(=O)OCC(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824343153 607804358 /nfs/dbraw/zinc/80/43/58/607804358.db2.gz ZGDJZLVFULXKGO-SAZUREKKSA-N -1 3 356.426 3.055 20 0 FGADHM CC(C)C1CN(C(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)C1 ZINC000824225361 607808562 /nfs/dbraw/zinc/80/85/62/607808562.db2.gz UAEAUWFCFNHSDN-UHFFFAOYSA-N -1 3 362.437 3.338 20 0 FGADHM Clc1ccc(N2CCO[C@]3(CCc4ccccc43)C2)c(-c2nnn[n-]2)c1 ZINC000826352212 607811357 /nfs/dbraw/zinc/81/13/57/607811357.db2.gz SGMKPJOYAHXAPO-LJQANCHMSA-N -1 3 367.840 3.198 20 0 FGADHM Clc1ccc(N2CCO[C@]3(CCc4ccccc43)C2)c(-c2nn[n-]n2)c1 ZINC000826352212 607811358 /nfs/dbraw/zinc/81/13/58/607811358.db2.gz SGMKPJOYAHXAPO-LJQANCHMSA-N -1 3 367.840 3.198 20 0 FGADHM C[C@H](Cc1ccccc1Cl)C(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000824458643 607815977 /nfs/dbraw/zinc/81/59/77/607815977.db2.gz VTELJCZSLIDUKR-CYBMUJFWSA-N -1 3 369.856 3.357 20 0 FGADHM C[C@H](Cc1ccccc1Cl)C(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000824458643 607815978 /nfs/dbraw/zinc/81/59/78/607815978.db2.gz VTELJCZSLIDUKR-CYBMUJFWSA-N -1 3 369.856 3.357 20 0 FGADHM Cc1cc(S[C@@H]2CCO[C@@H]2C)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000826272606 607819979 /nfs/dbraw/zinc/81/99/79/607819979.db2.gz SENPXJMFHGHTEQ-BXUZGUMPSA-N -1 3 366.450 3.246 20 0 FGADHM Cc1cc(S[C@@H]2CCO[C@@H]2C)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC000826272606 607819980 /nfs/dbraw/zinc/81/99/80/607819980.db2.gz SENPXJMFHGHTEQ-BXUZGUMPSA-N -1 3 366.450 3.246 20 0 FGADHM Cc1ccc(CC(=O)Nc2sc3c(c2-c2nnn[n-]2)CC[C@@H](C)C3)o1 ZINC000826286582 607826432 /nfs/dbraw/zinc/82/64/32/607826432.db2.gz IDCONXKUXUIFFS-SECBINFHSA-N -1 3 357.439 3.136 20 0 FGADHM Cc1ccc(CC(=O)Nc2sc3c(c2-c2nn[n-]n2)CC[C@@H](C)C3)o1 ZINC000826286582 607826433 /nfs/dbraw/zinc/82/64/33/607826433.db2.gz IDCONXKUXUIFFS-SECBINFHSA-N -1 3 357.439 3.136 20 0 FGADHM C[C@H]1CSc2ccccc2N(C(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000825013773 607830553 /nfs/dbraw/zinc/83/05/53/607830553.db2.gz RONANHYBLIUUBJ-GFCCVEGCSA-N -1 3 351.435 3.255 20 0 FGADHM C[C@H]1CSc2ccccc2N(C(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000825013773 607830554 /nfs/dbraw/zinc/83/05/54/607830554.db2.gz RONANHYBLIUUBJ-GFCCVEGCSA-N -1 3 351.435 3.255 20 0 FGADHM O=C(NCCCSc1ccc(-c2nnn[n-]2)cc1Cl)C1CCCC1 ZINC000826436813 607845098 /nfs/dbraw/zinc/84/50/98/607845098.db2.gz KDXYZFUXZUBXDU-UHFFFAOYSA-N -1 3 365.890 3.309 20 0 FGADHM O=C(NCCCSc1ccc(-c2nn[n-]n2)cc1Cl)C1CCCC1 ZINC000826436813 607845099 /nfs/dbraw/zinc/84/50/99/607845099.db2.gz KDXYZFUXZUBXDU-UHFFFAOYSA-N -1 3 365.890 3.309 20 0 FGADHM Cc1cnc(CCN(C)c2c(-c3nnn[n-]3)cnc3c(C)cccc32)s1 ZINC000826318639 607850647 /nfs/dbraw/zinc/85/06/47/607850647.db2.gz SZPDXTLCOSTMOF-UHFFFAOYSA-N -1 3 365.466 3.167 20 0 FGADHM Cc1cnc(CCN(C)c2c(-c3nn[n-]n3)cnc3c(C)cccc32)s1 ZINC000826318639 607850648 /nfs/dbraw/zinc/85/06/48/607850648.db2.gz SZPDXTLCOSTMOF-UHFFFAOYSA-N -1 3 365.466 3.167 20 0 FGADHM Cc1ccc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2)c(Br)c1 ZINC000826282167 607857244 /nfs/dbraw/zinc/85/72/44/607857244.db2.gz BAHCPADMIVLGBK-UHFFFAOYSA-N -1 3 373.210 3.295 20 0 FGADHM Cc1ccc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2)c(Br)c1 ZINC000826282167 607857245 /nfs/dbraw/zinc/85/72/45/607857245.db2.gz BAHCPADMIVLGBK-UHFFFAOYSA-N -1 3 373.210 3.295 20 0 FGADHM Cc1ccc(C(=O)Nc2sccc2-c2nnn[n-]2)c(Br)c1 ZINC000826282366 607861704 /nfs/dbraw/zinc/86/17/04/607861704.db2.gz KUJDJWLMBLDACE-UHFFFAOYSA-N -1 3 364.228 3.251 20 0 FGADHM Cc1ccc(C(=O)Nc2sccc2-c2nn[n-]n2)c(Br)c1 ZINC000826282366 607861705 /nfs/dbraw/zinc/86/17/05/607861705.db2.gz KUJDJWLMBLDACE-UHFFFAOYSA-N -1 3 364.228 3.251 20 0 FGADHM Cc1cc(F)ccc1OC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000826268512 607861724 /nfs/dbraw/zinc/86/17/24/607861724.db2.gz APGQRGFNPNOLNL-UHFFFAOYSA-N -1 3 370.384 3.469 20 0 FGADHM Cc1cc(F)ccc1OC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000826268512 607861725 /nfs/dbraw/zinc/86/17/25/607861725.db2.gz APGQRGFNPNOLNL-UHFFFAOYSA-N -1 3 370.384 3.469 20 0 FGADHM CC1(NC(=O)c2ccc(OCc3ccccc3-c3nnn[n-]3)cc2)CCC1 ZINC000824838037 607861759 /nfs/dbraw/zinc/86/17/59/607861759.db2.gz LNTQGXPGWQKNBB-UHFFFAOYSA-N -1 3 363.421 3.118 20 0 FGADHM CC1(NC(=O)c2ccc(OCc3ccccc3-c3nn[n-]n3)cc2)CCC1 ZINC000824838037 607861760 /nfs/dbraw/zinc/86/17/60/607861760.db2.gz LNTQGXPGWQKNBB-UHFFFAOYSA-N -1 3 363.421 3.118 20 0 FGADHM O=C(Cn1ccc(-c2nnn[n-]2)c1)Nc1ccccc1Oc1ccccc1 ZINC000826424656 607891915 /nfs/dbraw/zinc/89/19/15/607891915.db2.gz XCKUMYMJAPLERD-UHFFFAOYSA-N -1 3 360.377 3.099 20 0 FGADHM O=C(Cn1ccc(-c2nn[n-]n2)c1)Nc1ccccc1Oc1ccccc1 ZINC000826424656 607891916 /nfs/dbraw/zinc/89/19/16/607891916.db2.gz XCKUMYMJAPLERD-UHFFFAOYSA-N -1 3 360.377 3.099 20 0 FGADHM O=C(COC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1)c1cccc(-c2nnn[n-]2)c1 ZINC000826415705 607918388 /nfs/dbraw/zinc/91/83/88/607918388.db2.gz PCKBYDLOSOPBRO-CKEIUWERSA-N -1 3 368.437 3.199 20 0 FGADHM O=C(COC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1)c1cccc(-c2nn[n-]n2)c1 ZINC000826415705 607918389 /nfs/dbraw/zinc/91/83/89/607918389.db2.gz PCKBYDLOSOPBRO-CKEIUWERSA-N -1 3 368.437 3.199 20 0 FGADHM Cc1c(NC(=O)NCCC2Cc3ccccc3C2)cccc1-c1nnn[n-]1 ZINC000826241847 607919859 /nfs/dbraw/zinc/91/98/59/607919859.db2.gz RHAFEAUWOONDPR-UHFFFAOYSA-N -1 3 362.437 3.102 20 0 FGADHM Cc1c(NC(=O)NCCC2Cc3ccccc3C2)cccc1-c1nn[n-]n1 ZINC000826241847 607919860 /nfs/dbraw/zinc/91/98/60/607919860.db2.gz RHAFEAUWOONDPR-UHFFFAOYSA-N -1 3 362.437 3.102 20 0 FGADHM CCc1c(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cnn1CC(C)C ZINC000825687990 607921984 /nfs/dbraw/zinc/92/19/84/607921984.db2.gz PKLDJOMTKYFOPU-UHFFFAOYSA-N -1 3 373.848 3.187 20 0 FGADHM CCc1c(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cnn1CC(C)C ZINC000825687990 607921985 /nfs/dbraw/zinc/92/19/85/607921985.db2.gz PKLDJOMTKYFOPU-UHFFFAOYSA-N -1 3 373.848 3.187 20 0 FGADHM COCCN(C(=O)[C@@H]1CCCC(C)(C)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826157428 607927505 /nfs/dbraw/zinc/92/75/05/607927505.db2.gz VALVVTGTNNDOIO-OAHLLOKOSA-N -1 3 357.458 3.063 20 0 FGADHM COCCN(C(=O)[C@@H]1CCCC(C)(C)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826157428 607927506 /nfs/dbraw/zinc/92/75/06/607927506.db2.gz VALVVTGTNNDOIO-OAHLLOKOSA-N -1 3 357.458 3.063 20 0 FGADHM O=C(c1occc1-c1ccccc1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826475350 607947439 /nfs/dbraw/zinc/94/74/39/607947439.db2.gz CMDWWSMGZDSBSY-UHFFFAOYSA-N -1 3 357.373 3.330 20 0 FGADHM O=C(c1occc1-c1ccccc1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826475350 607947440 /nfs/dbraw/zinc/94/74/40/607947440.db2.gz CMDWWSMGZDSBSY-UHFFFAOYSA-N -1 3 357.373 3.330 20 0 FGADHM C[C@@H](Cc1cccc(Cl)c1)C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000824457814 607948311 /nfs/dbraw/zinc/94/83/11/607948311.db2.gz SLNASLYACMHARC-LBPRGKRZSA-N -1 3 367.840 3.288 20 0 FGADHM C[C@@H](Cc1cccc(Cl)c1)C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000824457814 607948312 /nfs/dbraw/zinc/94/83/12/607948312.db2.gz SLNASLYACMHARC-LBPRGKRZSA-N -1 3 367.840 3.288 20 0 FGADHM O=C(c1ccc(-c2ccccc2)[nH]1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826470948 607951239 /nfs/dbraw/zinc/95/12/39/607951239.db2.gz JEVHLZQZVKZDRW-UHFFFAOYSA-N -1 3 356.389 3.065 20 0 FGADHM O=C(c1ccc(-c2ccccc2)[nH]1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826470948 607951240 /nfs/dbraw/zinc/95/12/40/607951240.db2.gz JEVHLZQZVKZDRW-UHFFFAOYSA-N -1 3 356.389 3.065 20 0 FGADHM Cc1nc(C(C)(C)C)sc1C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826323498 607953521 /nfs/dbraw/zinc/95/35/21/607953521.db2.gz GUQGRGZMCSGRBT-UHFFFAOYSA-N -1 3 368.466 3.132 20 0 FGADHM Cc1nc(C(C)(C)C)sc1C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826323498 607953522 /nfs/dbraw/zinc/95/35/22/607953522.db2.gz GUQGRGZMCSGRBT-UHFFFAOYSA-N -1 3 368.466 3.132 20 0 FGADHM O=C(Cc1cc(Cl)ccc1Cl)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826421411 607955351 /nfs/dbraw/zinc/95/53/51/607955351.db2.gz HBKZTHOBJNHJHJ-UHFFFAOYSA-N -1 3 374.231 3.305 20 0 FGADHM O=C(Cc1cc(Cl)ccc1Cl)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826421411 607955352 /nfs/dbraw/zinc/95/53/52/607955352.db2.gz HBKZTHOBJNHJHJ-UHFFFAOYSA-N -1 3 374.231 3.305 20 0 FGADHM Cc1cccc(C(=O)Oc2ccc(-c3nnn[n-]3)cc2)c1Br ZINC000826296322 607962680 /nfs/dbraw/zinc/96/26/80/607962680.db2.gz ROEFGNIZWXEYII-UHFFFAOYSA-N -1 3 359.183 3.157 20 0 FGADHM Cc1cccc(C(=O)Oc2ccc(-c3nn[n-]n3)cc2)c1Br ZINC000826296322 607962681 /nfs/dbraw/zinc/96/26/81/607962681.db2.gz ROEFGNIZWXEYII-UHFFFAOYSA-N -1 3 359.183 3.157 20 0 FGADHM CC(=Cc1ccc(Cl)cc1)C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000759028485 607970302 /nfs/dbraw/zinc/97/03/02/607970302.db2.gz QHJVOBGGVSRNKE-BENRWUELSA-N -1 3 353.813 3.240 20 0 FGADHM CC(=Cc1ccc(Cl)cc1)C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000759028485 607970303 /nfs/dbraw/zinc/97/03/03/607970303.db2.gz QHJVOBGGVSRNKE-BENRWUELSA-N -1 3 353.813 3.240 20 0 FGADHM c1cc(COc2cccc(-c3nc4cc[nH]cc-4n3)c2)cc(-c2nn[n-]n2)c1 ZINC000826516639 607974815 /nfs/dbraw/zinc/97/48/15/607974815.db2.gz UHPFOSLZOWXSFB-UHFFFAOYSA-N -1 3 369.388 3.384 20 0 FGADHM O[C@H](CSc1cc(-c2nnn[n-]2)ccn1)c1ccc(Cl)cc1Cl ZINC000826505226 607982444 /nfs/dbraw/zinc/98/24/44/607982444.db2.gz PZSXIFYNHZAUFW-GFCCVEGCSA-N -1 3 368.249 3.394 20 0 FGADHM O[C@H](CSc1cc(-c2nn[n-]n2)ccn1)c1ccc(Cl)cc1Cl ZINC000826505226 607982445 /nfs/dbraw/zinc/98/24/45/607982445.db2.gz PZSXIFYNHZAUFW-GFCCVEGCSA-N -1 3 368.249 3.394 20 0 FGADHM CN(Cc1ccsc1)c1ccc(-c2nn[n-]n2)cc1Br ZINC000825986245 607988269 /nfs/dbraw/zinc/98/82/69/607988269.db2.gz VGESCSQLLXKADX-UHFFFAOYSA-N -1 3 350.245 3.327 20 0 FGADHM CC1(C)CN(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)Cc2ccccc21 ZINC000824807624 608007751 /nfs/dbraw/zinc/00/77/51/608007751.db2.gz KDLWQCDCVVCPLD-UHFFFAOYSA-N -1 3 366.400 3.331 20 0 FGADHM CC1(C)CN(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)Cc2ccccc21 ZINC000824807624 608007752 /nfs/dbraw/zinc/00/77/52/608007752.db2.gz KDLWQCDCVVCPLD-UHFFFAOYSA-N -1 3 366.400 3.331 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1c(C)noc1CC ZINC000825318112 608009133 /nfs/dbraw/zinc/00/91/33/608009133.db2.gz IUHDJVKUBIJASH-UHFFFAOYSA-N -1 3 369.429 3.170 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1c(C)noc1CC ZINC000825318112 608009134 /nfs/dbraw/zinc/00/91/34/608009134.db2.gz IUHDJVKUBIJASH-UHFFFAOYSA-N -1 3 369.429 3.170 20 0 FGADHM O=C1[C@@H](Sc2cccc(-c3nnn[n-]3)c2)CCCN1Cc1ccccc1 ZINC000826477731 608023930 /nfs/dbraw/zinc/02/39/30/608023930.db2.gz JWTMNOZTWRCOMG-KRWDZBQOSA-N -1 3 365.462 3.150 20 0 FGADHM O=C1[C@@H](Sc2cccc(-c3nn[n-]n3)c2)CCCN1Cc1ccccc1 ZINC000826477731 608023931 /nfs/dbraw/zinc/02/39/31/608023931.db2.gz JWTMNOZTWRCOMG-KRWDZBQOSA-N -1 3 365.462 3.150 20 0 FGADHM C[C@@H](OC(=O)c1cnc([C@H]2CCCO2)s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824722601 608028561 /nfs/dbraw/zinc/02/85/61/608028561.db2.gz JPMAMYSBCRZDIQ-ZWNOBZJWSA-N -1 3 371.422 3.093 20 0 FGADHM C[C@@H](OC(=O)c1cnc([C@H]2CCCO2)s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824722601 608028562 /nfs/dbraw/zinc/02/85/62/608028562.db2.gz JPMAMYSBCRZDIQ-ZWNOBZJWSA-N -1 3 371.422 3.093 20 0 FGADHM COC1CCC(N(C)c2ccc(-c3nn[n-]n3)cc2Br)CC1 ZINC000826145531 608050084 /nfs/dbraw/zinc/05/00/84/608050084.db2.gz IFARRXVAMQGGPX-UHFFFAOYSA-N -1 3 366.263 3.023 20 0 FGADHM CN(CCSCCOc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000825946407 608055583 /nfs/dbraw/zinc/05/55/83/608055583.db2.gz WVTRHYZEJJSTOC-UHFFFAOYSA-N -1 3 355.467 3.115 20 0 FGADHM CN(CCSCCOc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000825946407 608055584 /nfs/dbraw/zinc/05/55/84/608055584.db2.gz WVTRHYZEJJSTOC-UHFFFAOYSA-N -1 3 355.467 3.115 20 0 FGADHM CCN(C(=O)CSCC(F)(F)F)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825371966 608058202 /nfs/dbraw/zinc/05/82/02/608058202.db2.gz OVEAGCLYPBXILO-SNVBAGLBSA-N -1 3 373.404 3.072 20 0 FGADHM CCN(C(=O)CSCC(F)(F)F)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825371966 608058203 /nfs/dbraw/zinc/05/82/03/608058203.db2.gz OVEAGCLYPBXILO-SNVBAGLBSA-N -1 3 373.404 3.072 20 0 FGADHM CCN(C(=O)c1cccc(OC)c1F)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825385859 608058251 /nfs/dbraw/zinc/05/82/51/608058251.db2.gz UMWVUQKUCAVUQI-GFCCVEGCSA-N -1 3 369.400 3.238 20 0 FGADHM CCN(C(=O)c1cccc(OC)c1F)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825385859 608058252 /nfs/dbraw/zinc/05/82/52/608058252.db2.gz UMWVUQKUCAVUQI-GFCCVEGCSA-N -1 3 369.400 3.238 20 0 FGADHM CCC(CC)[C@@H](C)C(=O)OCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000825097679 608059054 /nfs/dbraw/zinc/05/90/54/608059054.db2.gz YCSMCMUQCBAHDT-LLVKDONJSA-N -1 3 370.413 3.032 20 0 FGADHM CCC(CC)[C@@H](C)C(=O)OCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000825097679 608059055 /nfs/dbraw/zinc/05/90/55/608059055.db2.gz YCSMCMUQCBAHDT-LLVKDONJSA-N -1 3 370.413 3.032 20 0 FGADHM Clc1ccccc1CN1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826353419 608070849 /nfs/dbraw/zinc/07/08/49/608070849.db2.gz OIERNKVDIFLCDZ-KRWDZBQOSA-N -1 3 355.829 3.094 20 0 FGADHM Clc1ccccc1CN1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826353419 608070850 /nfs/dbraw/zinc/07/08/50/608070850.db2.gz OIERNKVDIFLCDZ-KRWDZBQOSA-N -1 3 355.829 3.094 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1cccc([C@@H]2CCOC2)c1 ZINC000826453059 608072329 /nfs/dbraw/zinc/07/23/29/608072329.db2.gz UCZOLKFGUPMDQT-CQSZACIVSA-N -1 3 369.812 3.276 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1cccc([C@@H]2CCOC2)c1 ZINC000826453059 608072330 /nfs/dbraw/zinc/07/23/30/608072330.db2.gz UCZOLKFGUPMDQT-CQSZACIVSA-N -1 3 369.812 3.276 20 0 FGADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OCCCC(F)(F)F ZINC000824206912 608075241 /nfs/dbraw/zinc/07/52/41/608075241.db2.gz LTCVHGVSRJOAGO-CYBMUJFWSA-N -1 3 372.347 3.156 20 0 FGADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)OCCCC(F)(F)F ZINC000824206912 608075242 /nfs/dbraw/zinc/07/52/42/608075242.db2.gz LTCVHGVSRJOAGO-CYBMUJFWSA-N -1 3 372.347 3.156 20 0 FGADHM CC[C@H](C)n1ncc(NC(=O)c2cccc(-c3nnn[n-]3)c2)c1C1CC1 ZINC000825081726 608102469 /nfs/dbraw/zinc/10/24/69/608102469.db2.gz MVRDCDDHSANZHS-NSHDSACASA-N -1 3 351.414 3.164 20 0 FGADHM CC[C@H](C)n1ncc(NC(=O)c2cccc(-c3nn[n-]n3)c2)c1C1CC1 ZINC000825081726 608102470 /nfs/dbraw/zinc/10/24/70/608102470.db2.gz MVRDCDDHSANZHS-NSHDSACASA-N -1 3 351.414 3.164 20 0 FGADHM CC[C@H](C)n1ncc(NC(=O)c2sccc2-c2nnn[n-]2)c1C1CC1 ZINC000825082971 608108315 /nfs/dbraw/zinc/10/83/15/608108315.db2.gz WECTUWISFFMQPS-VIFPVBQESA-N -1 3 357.443 3.225 20 0 FGADHM CC[C@H](C)n1ncc(NC(=O)c2sccc2-c2nn[n-]n2)c1C1CC1 ZINC000825082971 608108316 /nfs/dbraw/zinc/10/83/16/608108316.db2.gz WECTUWISFFMQPS-VIFPVBQESA-N -1 3 357.443 3.225 20 0 FGADHM CCSc1cccc(C(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000825674347 608113702 /nfs/dbraw/zinc/11/37/02/608113702.db2.gz JUXYEINIRMZAIJ-LBPRGKRZSA-N -1 3 353.451 3.470 20 0 FGADHM CCSc1cccc(C(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000825674347 608113703 /nfs/dbraw/zinc/11/37/03/608113703.db2.gz JUXYEINIRMZAIJ-LBPRGKRZSA-N -1 3 353.451 3.470 20 0 FGADHM C[C@@H](OC(=O)c1cc(-c2nnn[n-]2)cn1C)c1ccc2c(c1)CCCC2 ZINC000824724032 608129628 /nfs/dbraw/zinc/12/96/28/608129628.db2.gz XLRWUISSFCYOTH-GFCCVEGCSA-N -1 3 351.410 3.002 20 0 FGADHM C[C@@H](OC(=O)c1cc(-c2nn[n-]n2)cn1C)c1ccc2c(c1)CCCC2 ZINC000824724032 608129629 /nfs/dbraw/zinc/12/96/29/608129629.db2.gz XLRWUISSFCYOTH-GFCCVEGCSA-N -1 3 351.410 3.002 20 0 FGADHM COCCOc1ccc(-c2nnn[n-]2)cc1NCc1cccc(C)c1C ZINC000826162476 608136399 /nfs/dbraw/zinc/13/63/99/608136399.db2.gz DECSRPSLXOWZFC-UHFFFAOYSA-N -1 3 353.426 3.121 20 0 FGADHM COCCOc1ccc(-c2nn[n-]n2)cc1NCc1cccc(C)c1C ZINC000826162476 608136400 /nfs/dbraw/zinc/13/64/00/608136400.db2.gz DECSRPSLXOWZFC-UHFFFAOYSA-N -1 3 353.426 3.121 20 0 FGADHM COCCOc1ccc(-c2nnn[n-]2)cc1NCc1ccc(C)cc1C ZINC000826162054 608136440 /nfs/dbraw/zinc/13/64/40/608136440.db2.gz LFTSDZVIWUIKEH-UHFFFAOYSA-N -1 3 353.426 3.121 20 0 FGADHM COCCOc1ccc(-c2nn[n-]n2)cc1NCc1ccc(C)cc1C ZINC000826162054 608136441 /nfs/dbraw/zinc/13/64/41/608136441.db2.gz LFTSDZVIWUIKEH-UHFFFAOYSA-N -1 3 353.426 3.121 20 0 FGADHM COCCOc1ccc(-c2nnn[n-]2)cc1NC(=O)CCCC1CCCC1 ZINC000826161407 608137899 /nfs/dbraw/zinc/13/78/99/608137899.db2.gz HDFGROHNPZJNPS-UHFFFAOYSA-N -1 3 373.457 3.191 20 0 FGADHM COCCOc1ccc(-c2nn[n-]n2)cc1NC(=O)CCCC1CCCC1 ZINC000826161407 608137900 /nfs/dbraw/zinc/13/79/00/608137900.db2.gz HDFGROHNPZJNPS-UHFFFAOYSA-N -1 3 373.457 3.191 20 0 FGADHM C[C@@](O)(c1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1)C(F)(F)F ZINC000824679980 608153403 /nfs/dbraw/zinc/15/34/03/608153403.db2.gz XLEKGCYVFHYKOM-MRXNPFEDSA-N -1 3 364.327 3.216 20 0 FGADHM C[C@@](O)(c1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1)C(F)(F)F ZINC000824679980 608153405 /nfs/dbraw/zinc/15/34/05/608153405.db2.gz XLEKGCYVFHYKOM-MRXNPFEDSA-N -1 3 364.327 3.216 20 0 FGADHM C[C@@H](C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C)c1c(F)cccc1F ZINC000824045118 608153805 /nfs/dbraw/zinc/15/38/05/608153805.db2.gz GRQQCLITTGTLMY-SNVBAGLBSA-N -1 3 374.395 3.444 20 0 FGADHM C[C@@H](C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C)c1c(F)cccc1F ZINC000824045118 608153806 /nfs/dbraw/zinc/15/38/06/608153806.db2.gz GRQQCLITTGTLMY-SNVBAGLBSA-N -1 3 374.395 3.444 20 0 FGADHM CCn1c(NC(=O)c2cc(-c3nnn[n-]3)cs2)nc2cc(Cl)ccc21 ZINC000825792789 608168030 /nfs/dbraw/zinc/16/80/30/608168030.db2.gz DFPNYTSAESZTNH-UHFFFAOYSA-N -1 3 373.829 3.204 20 0 FGADHM CCn1c(NC(=O)c2cc(-c3nn[n-]n3)cs2)nc2cc(Cl)ccc21 ZINC000825792789 608168031 /nfs/dbraw/zinc/16/80/31/608168031.db2.gz DFPNYTSAESZTNH-UHFFFAOYSA-N -1 3 373.829 3.204 20 0 FGADHM C[C@H]1OCC[C@@H]1C(=O)OCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000825018737 608175500 /nfs/dbraw/zinc/17/55/00/608175500.db2.gz APNPDLCJFLTGBP-CJNGLKHVSA-N -1 3 364.405 3.002 20 0 FGADHM C[C@H]1OCC[C@@H]1C(=O)OCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000825018737 608175502 /nfs/dbraw/zinc/17/55/02/608175502.db2.gz APNPDLCJFLTGBP-CJNGLKHVSA-N -1 3 364.405 3.002 20 0 FGADHM Cc1nsc(Nc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)n1 ZINC000826340359 608175782 /nfs/dbraw/zinc/17/57/82/608175782.db2.gz UVOFCCWGKIUXBJ-UHFFFAOYSA-N -1 3 365.422 3.349 20 0 FGADHM Cc1nsc(Nc2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)n1 ZINC000826340359 608175785 /nfs/dbraw/zinc/17/57/85/608175785.db2.gz UVOFCCWGKIUXBJ-UHFFFAOYSA-N -1 3 365.422 3.349 20 0 FGADHM COc1ccc(C(F)(F)C(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826189004 608185322 /nfs/dbraw/zinc/18/53/22/608185322.db2.gz LEXVKBYDAIGZHP-LLVKDONJSA-N -1 3 374.347 3.272 20 0 FGADHM COc1ccc(C(F)(F)C(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826189004 608185324 /nfs/dbraw/zinc/18/53/24/608185324.db2.gz LEXVKBYDAIGZHP-LLVKDONJSA-N -1 3 374.347 3.272 20 0 FGADHM Cc1ccc(O[C@@H](C)C(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826292209 608186082 /nfs/dbraw/zinc/18/60/82/608186082.db2.gz LRNCOGZFWQOPFX-KGLIPLIRSA-N -1 3 352.394 3.247 20 0 FGADHM Cc1ccc(O[C@@H](C)C(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826292209 608186084 /nfs/dbraw/zinc/18/60/84/608186084.db2.gz LRNCOGZFWQOPFX-KGLIPLIRSA-N -1 3 352.394 3.247 20 0 FGADHM C[C@@H](Cc1ncc[nH]1)OCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000824465249 608197717 /nfs/dbraw/zinc/19/77/17/608197717.db2.gz NBUWLOPVNXCLMX-AWEZNQCLSA-N -1 3 360.421 3.405 20 0 FGADHM Cc1ccc(OCCCC(=O)OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826292032 608203600 /nfs/dbraw/zinc/20/36/00/608203600.db2.gz FZLKNYVROJJQFG-UHFFFAOYSA-N -1 3 352.394 3.078 20 0 FGADHM Cc1ccc(OCCCC(=O)OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826292032 608203602 /nfs/dbraw/zinc/20/36/02/608203602.db2.gz FZLKNYVROJJQFG-UHFFFAOYSA-N -1 3 352.394 3.078 20 0 FGADHM Cc1ccncc1[C@H](C)NC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826314566 608204635 /nfs/dbraw/zinc/20/46/35/608204635.db2.gz CBWJDMWMUUOFFD-JTQLQIEISA-N -1 3 357.805 3.106 20 0 FGADHM Cc1ccncc1[C@H](C)NC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826314566 608204637 /nfs/dbraw/zinc/20/46/37/608204637.db2.gz CBWJDMWMUUOFFD-JTQLQIEISA-N -1 3 357.805 3.106 20 0 FGADHM COC[C@@H](Cc1ccccc1)Nc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000826149166 608231961 /nfs/dbraw/zinc/23/19/61/608231961.db2.gz AWKOFOHCFIZTNP-QGZVFWFLSA-N -1 3 360.421 3.085 20 0 FGADHM COC[C@@H](Cc1ccccc1)Nc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000826149166 608231963 /nfs/dbraw/zinc/23/19/63/608231963.db2.gz AWKOFOHCFIZTNP-QGZVFWFLSA-N -1 3 360.421 3.085 20 0 FGADHM c1csc([C@@H]2CN(c3ccc4cc(-c5nnn[n-]5)ccc4n3)CCO2)c1 ZINC000826526360 608234137 /nfs/dbraw/zinc/23/41/37/608234137.db2.gz VRPNPFYPWPXKDZ-HNNXBMFYSA-N -1 3 364.434 3.054 20 0 FGADHM c1csc([C@@H]2CN(c3ccc4cc(-c5nn[n-]n5)ccc4n3)CCO2)c1 ZINC000826526360 608234139 /nfs/dbraw/zinc/23/41/39/608234139.db2.gz VRPNPFYPWPXKDZ-HNNXBMFYSA-N -1 3 364.434 3.054 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C=Cc1ccc2[nH]ccc2c1 ZINC000825620781 608236844 /nfs/dbraw/zinc/23/68/44/608236844.db2.gz HUNXOLNYHIILQE-YWEYNIOJSA-N -1 3 374.404 3.399 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C=Cc1ccc2[nH]ccc2c1 ZINC000825620781 608236846 /nfs/dbraw/zinc/23/68/46/608236846.db2.gz HUNXOLNYHIILQE-YWEYNIOJSA-N -1 3 374.404 3.399 20 0 FGADHM CC(C)(C)c1ccc2c(c1)CCCN2C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000824136640 608251106 /nfs/dbraw/zinc/25/11/06/608251106.db2.gz SQHXULSBXNKPDG-UHFFFAOYSA-N -1 3 362.437 3.152 20 0 FGADHM CC(C)(C)c1ccc2c(c1)CCCN2C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000824136640 608251109 /nfs/dbraw/zinc/25/11/09/608251109.db2.gz SQHXULSBXNKPDG-UHFFFAOYSA-N -1 3 362.437 3.152 20 0 FGADHM CCN(C(=O)C=C1CCSCC1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367564 608258068 /nfs/dbraw/zinc/25/80/68/608258068.db2.gz SPUTVYFYPZZLDQ-CYBMUJFWSA-N -1 3 357.483 3.230 20 0 FGADHM CCN(C(=O)C=C1CCSCC1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367564 608258069 /nfs/dbraw/zinc/25/80/69/608258069.db2.gz SPUTVYFYPZZLDQ-CYBMUJFWSA-N -1 3 357.483 3.230 20 0 FGADHM CCc1cccnc1C(=O)N(CC)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825728062 608269753 /nfs/dbraw/zinc/26/97/53/608269753.db2.gz HGGZNZRFRXZAOF-CYBMUJFWSA-N -1 3 350.426 3.047 20 0 FGADHM CCc1cccnc1C(=O)N(CC)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825728062 608269755 /nfs/dbraw/zinc/26/97/55/608269755.db2.gz HGGZNZRFRXZAOF-CYBMUJFWSA-N -1 3 350.426 3.047 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)c(N(C)C[C@H]2CCCO[C@H]2c2ccccc2)n1 ZINC000826273770 608279989 /nfs/dbraw/zinc/27/99/89/608279989.db2.gz SWOSTJVGVKLIFN-AEFFLSMTSA-N -1 3 364.453 3.174 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)c(N(C)C[C@H]2CCCO[C@H]2c2ccccc2)n1 ZINC000826273770 608279991 /nfs/dbraw/zinc/27/99/91/608279991.db2.gz SWOSTJVGVKLIFN-AEFFLSMTSA-N -1 3 364.453 3.174 20 0 FGADHM Cc1nnc(COc2ccc(-c3ccc(-c4nnn[n-]4)cc3)cc2)s1 ZINC000826335891 608290348 /nfs/dbraw/zinc/29/03/48/608290348.db2.gz GACDJFYDCMBBFD-UHFFFAOYSA-N -1 3 350.407 3.273 20 0 FGADHM Cc1nnc(COc2ccc(-c3ccc(-c4nn[n-]n4)cc3)cc2)s1 ZINC000826335891 608290349 /nfs/dbraw/zinc/29/03/49/608290349.db2.gz GACDJFYDCMBBFD-UHFFFAOYSA-N -1 3 350.407 3.273 20 0 FGADHM Cc1nnc([C@@H](C)NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)o1 ZINC000826335213 608291502 /nfs/dbraw/zinc/29/15/02/608291502.db2.gz CZUHNDUMYOJURD-GFCCVEGCSA-N -1 3 361.409 3.076 20 0 FGADHM Cc1nnc([C@@H](C)NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)o1 ZINC000826335213 608291504 /nfs/dbraw/zinc/29/15/04/608291504.db2.gz CZUHNDUMYOJURD-GFCCVEGCSA-N -1 3 361.409 3.076 20 0 FGADHM CC(C)[C@@H](CNc1nc2c(cc1-c1nnn[n-]1)CCCC2)c1cccnc1 ZINC000824193088 608294898 /nfs/dbraw/zinc/29/48/98/608294898.db2.gz SBEULGGZHXQXGA-QGZVFWFLSA-N -1 3 363.469 3.387 20 0 FGADHM CC(C)[C@@H](CNc1nc2c(cc1-c1nn[n-]n1)CCCC2)c1cccnc1 ZINC000824193088 608294899 /nfs/dbraw/zinc/29/48/99/608294899.db2.gz SBEULGGZHXQXGA-QGZVFWFLSA-N -1 3 363.469 3.387 20 0 FGADHM c1ccc2nc(N3CCC[C@H](C[C@H]4CCOC4)C3)c(-c3nnn[n-]3)cc2c1 ZINC000826523869 608296820 /nfs/dbraw/zinc/29/68/20/608296820.db2.gz AMDKVXJCGDMAAR-HUUCEWRRSA-N -1 3 364.453 3.058 20 0 FGADHM c1ccc2nc(N3CCC[C@H](C[C@H]4CCOC4)C3)c(-c3nn[n-]n3)cc2c1 ZINC000826523869 608296821 /nfs/dbraw/zinc/29/68/21/608296821.db2.gz AMDKVXJCGDMAAR-HUUCEWRRSA-N -1 3 364.453 3.058 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N[C@@H]1CCCc2cc(F)ccc21 ZINC000826401502 608315401 /nfs/dbraw/zinc/31/54/01/608315401.db2.gz AMOOOUOKRDIGEU-IBWPDUFMSA-N -1 3 363.396 3.213 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N[C@@H]1CCCc2cc(F)ccc21 ZINC000826401502 608315403 /nfs/dbraw/zinc/31/54/03/608315403.db2.gz AMOOOUOKRDIGEU-IBWPDUFMSA-N -1 3 363.396 3.213 20 0 FGADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1)c1cccc([C@@H]2CCCOC2)c1 ZINC000826464981 608318876 /nfs/dbraw/zinc/31/88/76/608318876.db2.gz UGWRTYAQCBYULM-GOSISDBHSA-N -1 3 364.405 3.118 20 0 FGADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1)c1cccc([C@@H]2CCCOC2)c1 ZINC000826464981 608318878 /nfs/dbraw/zinc/31/88/78/608318878.db2.gz UGWRTYAQCBYULM-GOSISDBHSA-N -1 3 364.405 3.118 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1CNc1ccc(OCC2CC2)cc1 ZINC000826170789 608320700 /nfs/dbraw/zinc/32/07/00/608320700.db2.gz PHIZDNCMLDCQDW-UHFFFAOYSA-N -1 3 351.410 3.276 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1CNc1ccc(OCC2CC2)cc1 ZINC000826170789 608320702 /nfs/dbraw/zinc/32/07/02/608320702.db2.gz PHIZDNCMLDCQDW-UHFFFAOYSA-N -1 3 351.410 3.276 20 0 FGADHM Cc1ccsc1CCNC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826316685 608337969 /nfs/dbraw/zinc/33/79/69/608337969.db2.gz VOLCMPZBPNPMKL-UHFFFAOYSA-N -1 3 362.846 3.254 20 0 FGADHM Cc1ccsc1CCNC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826316685 608337971 /nfs/dbraw/zinc/33/79/71/608337971.db2.gz VOLCMPZBPNPMKL-UHFFFAOYSA-N -1 3 362.846 3.254 20 0 FGADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)c1csc(C)c1C ZINC000826167616 608340587 /nfs/dbraw/zinc/34/05/87/608340587.db2.gz LEAPTOKWAJDRGS-UHFFFAOYSA-N -1 3 364.814 3.426 20 0 FGADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)c1csc(C)c1C ZINC000826167616 608340588 /nfs/dbraw/zinc/34/05/88/608340588.db2.gz LEAPTOKWAJDRGS-UHFFFAOYSA-N -1 3 364.814 3.426 20 0 FGADHM CCCCSCC(=O)N(CC)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825296712 608343366 /nfs/dbraw/zinc/34/33/66/608343366.db2.gz TZYIXDJGLAJEHO-UHFFFAOYSA-N -1 3 353.879 3.406 20 0 FGADHM CCCCSCC(=O)N(CC)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825296712 608343368 /nfs/dbraw/zinc/34/33/68/608343368.db2.gz TZYIXDJGLAJEHO-UHFFFAOYSA-N -1 3 353.879 3.406 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)c1cc(Cl)ccc1F ZINC000826172313 608346011 /nfs/dbraw/zinc/34/60/11/608346011.db2.gz YZMBNMGKQDAGSO-UHFFFAOYSA-N -1 3 362.748 3.025 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)c1cc(Cl)ccc1F ZINC000826172313 608346013 /nfs/dbraw/zinc/34/60/13/608346013.db2.gz YZMBNMGKQDAGSO-UHFFFAOYSA-N -1 3 362.748 3.025 20 0 FGADHM COc1ccc(Cl)cc1CN(C)Cc1ccc(-c2nnn[n-]2)cc1OC ZINC000826208291 608351385 /nfs/dbraw/zinc/35/13/85/608351385.db2.gz COGKPHSYZLXZFS-UHFFFAOYSA-N -1 3 373.844 3.169 20 0 FGADHM COc1ccc(Cl)cc1CN(C)Cc1ccc(-c2nn[n-]n2)cc1OC ZINC000826208291 608351387 /nfs/dbraw/zinc/35/13/87/608351387.db2.gz COGKPHSYZLXZFS-UHFFFAOYSA-N -1 3 373.844 3.169 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)C[C@H](C)c1ccc(F)cc1 ZINC000826171633 608358813 /nfs/dbraw/zinc/35/88/13/608358813.db2.gz STXDUUMDYMTXCQ-LBPRGKRZSA-N -1 3 370.384 3.251 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)C[C@H](C)c1ccc(F)cc1 ZINC000826171633 608358814 /nfs/dbraw/zinc/35/88/14/608358814.db2.gz STXDUUMDYMTXCQ-LBPRGKRZSA-N -1 3 370.384 3.251 20 0 FGADHM Fc1cc(-c2nnn[n-]2)ccc1CN(Cc1ccco1)Cc1cccnc1 ZINC000826371445 608382899 /nfs/dbraw/zinc/38/28/99/608382899.db2.gz GUOYCRKCWNTBNG-UHFFFAOYSA-N -1 3 364.384 3.196 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1CN(Cc1ccco1)Cc1cccnc1 ZINC000826371445 608382901 /nfs/dbraw/zinc/38/29/01/608382901.db2.gz GUOYCRKCWNTBNG-UHFFFAOYSA-N -1 3 364.384 3.196 20 0 FGADHM C[C@H]1CN(Cc2cccc(-c3nnn[n-]3)c2F)C[C@H](c2ccsc2)O1 ZINC000824984502 608400527 /nfs/dbraw/zinc/40/05/27/608400527.db2.gz KMIROGUPBPUSBI-XHDPSFHLSA-N -1 3 359.430 3.029 20 0 FGADHM C[C@H]1CN(Cc2cccc(-c3nn[n-]n3)c2F)C[C@H](c2ccsc2)O1 ZINC000824984502 608400529 /nfs/dbraw/zinc/40/05/29/608400529.db2.gz KMIROGUPBPUSBI-XHDPSFHLSA-N -1 3 359.430 3.029 20 0 FGADHM CC[C@H]1CCC[C@H]1NC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000825193051 608421401 /nfs/dbraw/zinc/42/14/01/608421401.db2.gz JVFKIPKXYHFPOF-KBXCAEBGSA-N -1 3 366.469 3.244 20 0 FGADHM CC[C@H]1CCC[C@H]1NC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825193051 608421402 /nfs/dbraw/zinc/42/14/02/608421402.db2.gz JVFKIPKXYHFPOF-KBXCAEBGSA-N -1 3 366.469 3.244 20 0 FGADHM Cc1cc(C(=O)OCc2cccc(-c3nnn[n-]3)c2F)c2ccccc2n1 ZINC000826261948 608434776 /nfs/dbraw/zinc/43/47/76/608434776.db2.gz ZKMKZBOJUPUFQD-UHFFFAOYSA-N -1 3 363.352 3.219 20 0 FGADHM Cc1cc(C(=O)OCc2cccc(-c3nn[n-]n3)c2F)c2ccccc2n1 ZINC000826261948 608434778 /nfs/dbraw/zinc/43/47/78/608434778.db2.gz ZKMKZBOJUPUFQD-UHFFFAOYSA-N -1 3 363.352 3.219 20 0 FGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)c1cnc(Cl)c(Cl)c1 ZINC000826466698 608440512 /nfs/dbraw/zinc/44/05/12/608440512.db2.gz POOZKLRDQSKOPR-UHFFFAOYSA-N -1 3 368.155 3.065 20 0 FGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)c1cnc(Cl)c(Cl)c1 ZINC000826466698 608440513 /nfs/dbraw/zinc/44/05/13/608440513.db2.gz POOZKLRDQSKOPR-UHFFFAOYSA-N -1 3 368.155 3.065 20 0 FGADHM Cc1cc(N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)nc(C2CC2)n1 ZINC000826269177 608441993 /nfs/dbraw/zinc/44/19/93/608441993.db2.gz CMZWITGVQFABRH-UHFFFAOYSA-N -1 3 359.437 3.136 20 0 FGADHM Cc1cc(N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)nc(C2CC2)n1 ZINC000826269177 608441995 /nfs/dbraw/zinc/44/19/95/608441995.db2.gz CMZWITGVQFABRH-UHFFFAOYSA-N -1 3 359.437 3.136 20 0 FGADHM C[C@H](SCc1ccccc1)C(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000824753497 608442349 /nfs/dbraw/zinc/44/23/49/608442349.db2.gz DLVBSZZVMCLHBW-LBPRGKRZSA-N -1 3 372.425 3.371 20 0 FGADHM C[C@H](SCc1ccccc1)C(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000824753497 608442351 /nfs/dbraw/zinc/44/23/51/608442351.db2.gz DLVBSZZVMCLHBW-LBPRGKRZSA-N -1 3 372.425 3.371 20 0 FGADHM O=C(CCc1ccc(Cl)s1)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826408314 608443639 /nfs/dbraw/zinc/44/36/39/608443639.db2.gz AJKJEVUAFSPXDP-UHFFFAOYSA-N -1 3 366.805 3.397 20 0 FGADHM O=C(CCc1ccc(Cl)s1)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826408314 608443641 /nfs/dbraw/zinc/44/36/41/608443641.db2.gz AJKJEVUAFSPXDP-UHFFFAOYSA-N -1 3 366.805 3.397 20 0 FGADHM C[C@H](Cc1ccc(F)cc1)C(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000824458724 608444173 /nfs/dbraw/zinc/44/41/73/608444173.db2.gz XYTIPKOBNXLHBE-LLVKDONJSA-N -1 3 358.348 3.067 20 0 FGADHM C[C@H](Cc1ccc(F)cc1)C(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000824458724 608444175 /nfs/dbraw/zinc/44/41/75/608444175.db2.gz XYTIPKOBNXLHBE-LLVKDONJSA-N -1 3 358.348 3.067 20 0 FGADHM Cc1ccccc1-c1nc(CN[C@H](C)c2ccc(-c3nnn[n-]3)cc2)no1 ZINC000826304990 608468100 /nfs/dbraw/zinc/46/81/00/608468100.db2.gz GMUQEQYXMHBLNG-CYBMUJFWSA-N -1 3 361.409 3.076 20 0 FGADHM Cc1ccccc1-c1nc(CN[C@H](C)c2ccc(-c3nn[n-]n3)cc2)no1 ZINC000826304990 608468102 /nfs/dbraw/zinc/46/81/02/608468102.db2.gz GMUQEQYXMHBLNG-CYBMUJFWSA-N -1 3 361.409 3.076 20 0 FGADHM CC[C@H](CSC)NC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000825125544 608474713 /nfs/dbraw/zinc/47/47/13/608474713.db2.gz DJPZWWWWOHSPJX-CYBMUJFWSA-N -1 3 367.478 3.405 20 0 FGADHM CC[C@H](CSC)NC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000825125544 608474714 /nfs/dbraw/zinc/47/47/14/608474714.db2.gz DJPZWWWWOHSPJX-CYBMUJFWSA-N -1 3 367.478 3.405 20 0 FGADHM Cc1nc(CCSCCCOc2cccc(-c3nnn[n-]3)c2)cs1 ZINC000826325648 608477375 /nfs/dbraw/zinc/47/73/75/608477375.db2.gz GPTDEMPGWBRGCP-UHFFFAOYSA-N -1 3 361.496 3.376 20 0 FGADHM Cc1nc(CCSCCCOc2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826325648 608477376 /nfs/dbraw/zinc/47/73/76/608477376.db2.gz GPTDEMPGWBRGCP-UHFFFAOYSA-N -1 3 361.496 3.376 20 0 FGADHM Fc1c(CNc2cc(Cl)ccc2-n2cccn2)cccc1-c1nnn[n-]1 ZINC000826371026 608481453 /nfs/dbraw/zinc/48/14/53/608481453.db2.gz PRMUUEHCUBSNNB-UHFFFAOYSA-N -1 3 369.791 3.457 20 0 FGADHM Fc1c(CNc2cc(Cl)ccc2-n2cccn2)cccc1-c1nn[n-]n1 ZINC000826371026 608481455 /nfs/dbraw/zinc/48/14/55/608481455.db2.gz PRMUUEHCUBSNNB-UHFFFAOYSA-N -1 3 369.791 3.457 20 0 FGADHM Cc1cc(C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)ccc1F ZINC000826257493 608482162 /nfs/dbraw/zinc/48/21/62/608482162.db2.gz FDMYDXLKEUGZQU-UHFFFAOYSA-N -1 3 363.396 3.244 20 0 FGADHM Cc1cc(C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)ccc1F ZINC000826257493 608482163 /nfs/dbraw/zinc/48/21/63/608482163.db2.gz FDMYDXLKEUGZQU-UHFFFAOYSA-N -1 3 363.396 3.244 20 0 FGADHM CCc1ccc(CC(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000825704482 608485120 /nfs/dbraw/zinc/48/51/20/608485120.db2.gz JPPUEERGPMBWMM-UHFFFAOYSA-N -1 3 373.460 3.288 20 0 FGADHM CCc1ccc(CC(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000825704482 608485121 /nfs/dbraw/zinc/48/51/21/608485121.db2.gz JPPUEERGPMBWMM-UHFFFAOYSA-N -1 3 373.460 3.288 20 0 FGADHM CC[C@@H](CSC)NC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000825126456 608489976 /nfs/dbraw/zinc/48/99/76/608489976.db2.gz IFUOTKMLLUDUHJ-QMMMGPOBSA-N -1 3 374.392 3.149 20 0 FGADHM CC[C@@H](CSC)NC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000825126456 608489977 /nfs/dbraw/zinc/48/99/77/608489977.db2.gz IFUOTKMLLUDUHJ-QMMMGPOBSA-N -1 3 374.392 3.149 20 0 FGADHM Fc1ccccc1COC1CCN(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826378486 608558666 /nfs/dbraw/zinc/55/86/66/608558666.db2.gz MLRYOQLAOGPBMA-UHFFFAOYSA-N -1 3 353.401 3.191 20 0 FGADHM C[C@H](NC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)c1ccc(F)c(F)c1 ZINC000824523399 608572906 /nfs/dbraw/zinc/57/29/06/608572906.db2.gz ZXSZHZDIAJXUSV-QMMMGPOBSA-N -1 3 363.755 3.289 20 0 FGADHM C[C@H](NC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)c1ccc(F)c(F)c1 ZINC000824523399 608572907 /nfs/dbraw/zinc/57/29/07/608572907.db2.gz ZXSZHZDIAJXUSV-QMMMGPOBSA-N -1 3 363.755 3.289 20 0 FGADHM O=C(c1ccc(Cl)c(-c2nnn[n-]2)c1)N1CCCc2cc(F)ccc21 ZINC000826473088 608576184 /nfs/dbraw/zinc/57/61/84/608576184.db2.gz KBFOYUDFUGETJA-UHFFFAOYSA-N -1 3 357.776 3.252 20 0 FGADHM O=C(c1ccc(Cl)c(-c2nn[n-]n2)c1)N1CCCc2cc(F)ccc21 ZINC000826473088 608576185 /nfs/dbraw/zinc/57/61/85/608576185.db2.gz KBFOYUDFUGETJA-UHFFFAOYSA-N -1 3 357.776 3.252 20 0 FGADHM Cc1ccc(C)c(C(=O)CCC(=O)OCc2ccccc2-c2nnn[n-]2)c1 ZINC000826284559 608580386 /nfs/dbraw/zinc/58/03/86/608580386.db2.gz XLLVHGVDRJXCAQ-UHFFFAOYSA-N -1 3 364.405 3.190 20 0 FGADHM Cc1ccc(C)c(C(=O)CCC(=O)OCc2ccccc2-c2nn[n-]n2)c1 ZINC000826284559 608580387 /nfs/dbraw/zinc/58/03/87/608580387.db2.gz XLLVHGVDRJXCAQ-UHFFFAOYSA-N -1 3 364.405 3.190 20 0 FGADHM Fc1ccc2[nH]c3c(c2c1)CN(Cc1cc(-c2nnn[n-]2)cs1)CC3 ZINC000826376123 608587392 /nfs/dbraw/zinc/58/73/92/608587392.db2.gz PKLVFRGEEKOGCL-UHFFFAOYSA-N -1 3 354.414 3.107 20 0 FGADHM Fc1ccc2[nH]c3c(c2c1)CN(Cc1cc(-c2nn[n-]n2)cs1)CC3 ZINC000826376123 608587393 /nfs/dbraw/zinc/58/73/93/608587393.db2.gz PKLVFRGEEKOGCL-UHFFFAOYSA-N -1 3 354.414 3.107 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CCc2cc(F)ccc2C1 ZINC000826451939 608596426 /nfs/dbraw/zinc/59/64/26/608596426.db2.gz BYWZXFVFIRWKQN-UHFFFAOYSA-N -1 3 372.791 3.249 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CCc2cc(F)ccc2C1 ZINC000826451939 608596427 /nfs/dbraw/zinc/59/64/27/608596427.db2.gz BYWZXFVFIRWKQN-UHFFFAOYSA-N -1 3 372.791 3.249 20 0 FGADHM CN(Cc1ccc(OC(F)F)cc1)Cc1cccc(-c2nnn[n-]2)c1F ZINC000825966084 608642102 /nfs/dbraw/zinc/64/21/02/608642102.db2.gz NEMJOKCFXDTDEO-UHFFFAOYSA-N -1 3 363.343 3.239 20 0 FGADHM c1ccc(COc2cccc(CNc3cnccc3-c3nnn[n-]3)c2)cc1 ZINC000826521939 608776282 /nfs/dbraw/zinc/77/62/82/608776282.db2.gz DSVXEPDBOKMJBC-UHFFFAOYSA-N -1 3 358.405 3.453 20 0 FGADHM c1ccc(COc2cccc(CNc3cnccc3-c3nn[n-]n3)c2)cc1 ZINC000826521939 608776283 /nfs/dbraw/zinc/77/62/83/608776283.db2.gz DSVXEPDBOKMJBC-UHFFFAOYSA-N -1 3 358.405 3.453 20 0 FGADHM CC(C)COc1ncccc1C(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000824271554 608819215 /nfs/dbraw/zinc/81/92/15/608819215.db2.gz OXNAWTAPTDBSDE-ZDUSSCGKSA-N -1 3 367.409 3.215 20 0 FGADHM CC(C)COc1ncccc1C(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000824271554 608819217 /nfs/dbraw/zinc/81/92/17/608819217.db2.gz OXNAWTAPTDBSDE-ZDUSSCGKSA-N -1 3 367.409 3.215 20 0 FGADHM C[C@@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000825012162 608824841 /nfs/dbraw/zinc/82/48/41/608824841.db2.gz DRVCFZVOQFRRGB-OLZOCXBDSA-N -1 3 365.412 3.083 20 0 FGADHM C[C@@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000825012162 608824844 /nfs/dbraw/zinc/82/48/44/608824844.db2.gz DRVCFZVOQFRRGB-OLZOCXBDSA-N -1 3 365.412 3.083 20 0 FGADHM Fc1ccc(/C=C\CN2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)cc1 ZINC000826374002 608854253 /nfs/dbraw/zinc/85/42/53/608854253.db2.gz HUGDYLYEQHAKLT-AXMVSILFSA-N -1 3 365.412 3.093 20 0 FGADHM Fc1ccc(/C=C\CN2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)cc1 ZINC000826374002 608854256 /nfs/dbraw/zinc/85/42/56/608854256.db2.gz HUGDYLYEQHAKLT-AXMVSILFSA-N -1 3 365.412 3.093 20 0 FGADHM CC[C@@H](C)[C@H](C)C(=O)OCCOc1c(-c2nnn[n-]2)cnc2ccccc21 ZINC000825059978 609142184 /nfs/dbraw/zinc/14/21/84/609142184.db2.gz MVQWWEAYTMMVCF-OLZOCXBDSA-N -1 3 369.425 3.019 20 0 FGADHM CC[C@@H](C)[C@H](C)C(=O)OCCOc1c(-c2nn[n-]n2)cnc2ccccc21 ZINC000825059978 609142186 /nfs/dbraw/zinc/14/21/86/609142186.db2.gz MVQWWEAYTMMVCF-OLZOCXBDSA-N -1 3 369.425 3.019 20 0 FGADHM C[C@H](NCc1ccn(C2CCCC2)n1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824627315 609153409 /nfs/dbraw/zinc/15/34/09/609153409.db2.gz WUPPGCJMYBKGHI-LBPRGKRZSA-N -1 3 355.421 3.168 20 0 FGADHM C[C@H](NCc1ccn(C2CCCC2)n1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824627315 609153412 /nfs/dbraw/zinc/15/34/12/609153412.db2.gz WUPPGCJMYBKGHI-LBPRGKRZSA-N -1 3 355.421 3.168 20 0 FGADHM COCCOc1cc(C)ccc1N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826160730 609157866 /nfs/dbraw/zinc/15/78/66/609157866.db2.gz CYFBEXHAEXDLGA-CQSZACIVSA-N -1 3 353.426 3.373 20 0 FGADHM COCCOc1cc(C)ccc1N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826160730 609157867 /nfs/dbraw/zinc/15/78/67/609157867.db2.gz CYFBEXHAEXDLGA-CQSZACIVSA-N -1 3 353.426 3.373 20 0 FGADHM COc1ccc(NC(C)=O)cc1N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826209644 609158552 /nfs/dbraw/zinc/15/85/52/609158552.db2.gz KMPHFSMPSNFYCF-NSHDSACASA-N -1 3 352.398 3.007 20 0 FGADHM COc1ccc(NC(C)=O)cc1N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826209644 609158554 /nfs/dbraw/zinc/15/85/54/609158554.db2.gz KMPHFSMPSNFYCF-NSHDSACASA-N -1 3 352.398 3.007 20 0 FGADHM Cc1cc(N2CCOCC2)ccc1N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826269198 609158764 /nfs/dbraw/zinc/15/87/64/609158764.db2.gz DFYYCDDDXBZLIV-HNNXBMFYSA-N -1 3 364.453 3.185 20 0 FGADHM Cc1cc(N2CCOCC2)ccc1N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826269198 609158766 /nfs/dbraw/zinc/15/87/66/609158766.db2.gz DFYYCDDDXBZLIV-HNNXBMFYSA-N -1 3 364.453 3.185 20 0 FGADHM CCN(Cc1ccccc1N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)C(C)=O ZINC000825439671 609159672 /nfs/dbraw/zinc/15/96/72/609159672.db2.gz KBYOPGMYDAVXBP-AWEZNQCLSA-N -1 3 364.453 3.408 20 0 FGADHM CCN(Cc1ccccc1N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)C(C)=O ZINC000825439671 609159673 /nfs/dbraw/zinc/15/96/73/609159673.db2.gz KBYOPGMYDAVXBP-AWEZNQCLSA-N -1 3 364.453 3.408 20 0 FGADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)CCC2CC2)c1-c1nnn[n-]1 ZINC000826233324 609167517 /nfs/dbraw/zinc/16/75/17/609167517.db2.gz CLCYGTAMXYORMF-UHFFFAOYSA-N -1 3 350.426 3.403 20 0 FGADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)CCC2CC2)c1-c1nn[n-]n1 ZINC000826233324 609167519 /nfs/dbraw/zinc/16/75/19/609167519.db2.gz CLCYGTAMXYORMF-UHFFFAOYSA-N -1 3 350.426 3.403 20 0 FGADHM COCCOCc1cccc(N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000826160850 609176242 /nfs/dbraw/zinc/17/62/42/609176242.db2.gz JLKBIKVHUALLGE-CQSZACIVSA-N -1 3 353.426 3.203 20 0 FGADHM COCCOCc1cccc(N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000826160850 609176244 /nfs/dbraw/zinc/17/62/44/609176244.db2.gz JLKBIKVHUALLGE-CQSZACIVSA-N -1 3 353.426 3.203 20 0 FGADHM O=C(NCC1(Sc2ccccc2)CCCC1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826434570 609211701 /nfs/dbraw/zinc/21/17/01/609211701.db2.gz QNPCQYZJVZSTEY-UHFFFAOYSA-N -1 3 368.466 3.030 20 0 FGADHM O=C(NCC1(Sc2ccccc2)CCCC1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826434570 609211702 /nfs/dbraw/zinc/21/17/02/609211702.db2.gz QNPCQYZJVZSTEY-UHFFFAOYSA-N -1 3 368.466 3.030 20 0 FGADHM CC(C)CC[C@H](C)Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1 ZINC000824243536 609239896 /nfs/dbraw/zinc/23/98/96/609239896.db2.gz ISSDMHBJYXAEDH-AWEZNQCLSA-N -1 3 358.490 3.064 20 0 FGADHM CC(C)CC[C@H](C)Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1 ZINC000824243536 609239897 /nfs/dbraw/zinc/23/98/97/609239897.db2.gz ISSDMHBJYXAEDH-AWEZNQCLSA-N -1 3 358.490 3.064 20 0 FGADHM CCN(CC)c1ccc(N[C@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)cn1 ZINC000825418124 609251558 /nfs/dbraw/zinc/25/15/58/609251558.db2.gz XMTYWIBEHDSZLQ-GFCCVEGCSA-N -1 3 355.421 3.420 20 0 FGADHM CCN(CC)c1ccc(N[C@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)cn1 ZINC000825418124 609251560 /nfs/dbraw/zinc/25/15/60/609251560.db2.gz XMTYWIBEHDSZLQ-GFCCVEGCSA-N -1 3 355.421 3.420 20 0 FGADHM C[C@H]1CC[C@H](C(F)(F)F)CN1C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000824908912 609265245 /nfs/dbraw/zinc/26/52/45/609265245.db2.gz ROHJAKSUUIOZLS-WPRPVWTQSA-N -1 3 373.766 3.323 20 0 FGADHM C[C@H]1CC[C@H](C(F)(F)F)CN1C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000824908912 609265247 /nfs/dbraw/zinc/26/52/47/609265247.db2.gz ROHJAKSUUIOZLS-WPRPVWTQSA-N -1 3 373.766 3.323 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)c1cc(C)c(C)cc1Cl ZINC000826174503 609274113 /nfs/dbraw/zinc/27/41/13/609274113.db2.gz ZNODVPQXQLJTBA-UHFFFAOYSA-N -1 3 358.785 3.365 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)c1cc(C)c(C)cc1Cl ZINC000826174503 609274114 /nfs/dbraw/zinc/27/41/14/609274114.db2.gz ZNODVPQXQLJTBA-UHFFFAOYSA-N -1 3 358.785 3.365 20 0 FGADHM COCCn1ncc2ccc(N[C@H](C)c3cccc(-c4nnn[n-]4)c3)cc21 ZINC000826163852 609276925 /nfs/dbraw/zinc/27/69/25/609276925.db2.gz OMCNFKPUUVPODL-CYBMUJFWSA-N -1 3 363.425 3.036 20 0 FGADHM COCCn1ncc2ccc(N[C@H](C)c3cccc(-c4nn[n-]n4)c3)cc21 ZINC000826163852 609276926 /nfs/dbraw/zinc/27/69/26/609276926.db2.gz OMCNFKPUUVPODL-CYBMUJFWSA-N -1 3 363.425 3.036 20 0 FGADHM COc1cc(OC)c(OC)cc1N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826181207 609279844 /nfs/dbraw/zinc/27/98/44/609279844.db2.gz POOQCKHOKJXOMR-LLVKDONJSA-N -1 3 355.398 3.066 20 0 FGADHM COc1cc(OC)c(OC)cc1N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826181207 609279846 /nfs/dbraw/zinc/27/98/46/609279846.db2.gz POOQCKHOKJXOMR-LLVKDONJSA-N -1 3 355.398 3.066 20 0 FGADHM Cc1cc(Cl)c(C(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000826267384 609280650 /nfs/dbraw/zinc/28/06/50/609280650.db2.gz CRNOWZBJGRQRRN-UHFFFAOYSA-N -1 3 355.829 3.409 20 0 FGADHM Cc1cc(Cl)c(C(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000826267384 609280652 /nfs/dbraw/zinc/28/06/52/609280652.db2.gz CRNOWZBJGRQRRN-UHFFFAOYSA-N -1 3 355.829 3.409 20 0 FGADHM Cc1ccc(N[C@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)cc1C(=O)N(C)C ZINC000826291370 609280665 /nfs/dbraw/zinc/28/06/65/609280665.db2.gz CDCIJFZJOGRNLY-GFCCVEGCSA-N -1 3 368.416 3.189 20 0 FGADHM Cc1ccc(N[C@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)cc1C(=O)N(C)C ZINC000826291370 609280667 /nfs/dbraw/zinc/28/06/67/609280667.db2.gz CDCIJFZJOGRNLY-GFCCVEGCSA-N -1 3 368.416 3.189 20 0 FGADHM O=C(Nc1cccc(-c2ncco2)c1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826456094 609294412 /nfs/dbraw/zinc/29/44/12/609294412.db2.gz PTAGXDZZPVTSPZ-UHFFFAOYSA-N -1 3 366.768 3.427 20 0 FGADHM O=C(Nc1cccc(-c2ncco2)c1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826456094 609294413 /nfs/dbraw/zinc/29/44/13/609294413.db2.gz PTAGXDZZPVTSPZ-UHFFFAOYSA-N -1 3 366.768 3.427 20 0 FGADHM Cc1nnc(SCc2ccc(OC(F)F)cc2)c(-c2nnn[n-]2)c1C ZINC000826337459 609307654 /nfs/dbraw/zinc/30/76/54/609307654.db2.gz PHHUUOWKWZUHMQ-UHFFFAOYSA-N -1 3 364.381 3.167 20 0 FGADHM Cc1nnc(SCc2ccc(OC(F)F)cc2)c(-c2nn[n-]n2)c1C ZINC000826337459 609307656 /nfs/dbraw/zinc/30/76/56/609307656.db2.gz PHHUUOWKWZUHMQ-UHFFFAOYSA-N -1 3 364.381 3.167 20 0 FGADHM Cc1nnc(N2CCc3ccc(C(C)(C)C)cc3C2)c(-c2nnn[n-]2)c1C ZINC000826335851 609312002 /nfs/dbraw/zinc/31/20/02/609312002.db2.gz DMHUPRRKDYEURF-UHFFFAOYSA-N -1 3 363.469 3.134 20 0 FGADHM Cc1nnc(N2CCc3ccc(C(C)(C)C)cc3C2)c(-c2nn[n-]n2)c1C ZINC000826335851 609312004 /nfs/dbraw/zinc/31/20/04/609312004.db2.gz DMHUPRRKDYEURF-UHFFFAOYSA-N -1 3 363.469 3.134 20 0 FGADHM CCc1cc(N[C@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)ccc1C ZINC000825700338 609312405 /nfs/dbraw/zinc/31/24/05/609312405.db2.gz BOXHJQYTHYFVQA-HNNXBMFYSA-N -1 3 368.466 3.016 20 0 FGADHM CCc1cc(N[C@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)ccc1C ZINC000825700338 609312406 /nfs/dbraw/zinc/31/24/06/609312406.db2.gz BOXHJQYTHYFVQA-HNNXBMFYSA-N -1 3 368.466 3.016 20 0 FGADHM CCc1cc(N[C@@H](C(=O)OC)c2ccc(-c3nnn[n-]3)cc2)ccc1C ZINC000825700700 609314304 /nfs/dbraw/zinc/31/43/04/609314304.db2.gz PUOZPVATBSHLJQ-QGZVFWFLSA-N -1 3 351.410 3.064 20 0 FGADHM CCc1cc(N[C@@H](C(=O)OC)c2ccc(-c3nn[n-]n3)cc2)ccc1C ZINC000825700700 609314305 /nfs/dbraw/zinc/31/43/05/609314305.db2.gz PUOZPVATBSHLJQ-QGZVFWFLSA-N -1 3 351.410 3.064 20 0 FGADHM Cc1cc(CNc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)ccc1F ZINC000826266864 609320135 /nfs/dbraw/zinc/32/01/35/609320135.db2.gz FSRCPWNRBWSHJF-UHFFFAOYSA-N -1 3 367.363 3.251 20 0 FGADHM C[C@@H](NCc1ccccc1OC(F)F)c1ccc(-c2nn[n-]n2)cc1F ZINC000824627448 609325298 /nfs/dbraw/zinc/32/52/98/609325298.db2.gz XHILTLNJQDTRGQ-SNVBAGLBSA-N -1 3 363.343 3.458 20 0 FGADHM O=Cc1cccc(OCc2ccc(-c3nnn[n-]3)cc2Br)c1 ZINC000826483986 609326454 /nfs/dbraw/zinc/32/64/54/609326454.db2.gz IPVABLULIFIRLG-UHFFFAOYSA-N -1 3 359.183 3.021 20 0 FGADHM O=Cc1cccc(OCc2ccc(-c3nn[n-]n3)cc2Br)c1 ZINC000826483986 609326456 /nfs/dbraw/zinc/32/64/56/609326456.db2.gz IPVABLULIFIRLG-UHFFFAOYSA-N -1 3 359.183 3.021 20 0 FGADHM CC(C)(C)OCC(=O)Oc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000824119912 609326965 /nfs/dbraw/zinc/32/69/65/609326965.db2.gz TWFZPXMJASHKAE-UHFFFAOYSA-N -1 3 368.393 3.380 20 0 FGADHM CC(C)(C)OCC(=O)Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000824119912 609326967 /nfs/dbraw/zinc/32/69/67/609326967.db2.gz TWFZPXMJASHKAE-UHFFFAOYSA-N -1 3 368.393 3.380 20 0 FGADHM Cc1ccsc1COC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000826316164 609338524 /nfs/dbraw/zinc/33/85/24/609338524.db2.gz FTGOJSCSNADZLN-UHFFFAOYSA-N -1 3 358.423 3.137 20 0 FGADHM Cc1ccsc1COC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000826316164 609338526 /nfs/dbraw/zinc/33/85/26/609338526.db2.gz FTGOJSCSNADZLN-UHFFFAOYSA-N -1 3 358.423 3.137 20 0 FGADHM C[C@@H]1c2cccn2CCN1Cc1ccc(-c2nnn[n-]2)cc1Br ZINC000825028764 609355645 /nfs/dbraw/zinc/35/56/45/609355645.db2.gz KFNJEWJJGGOMSR-LLVKDONJSA-N -1 3 373.258 3.008 20 0 FGADHM C[C@@H]1c2cccn2CCN1Cc1ccc(-c2nn[n-]n2)cc1Br ZINC000825028764 609355648 /nfs/dbraw/zinc/35/56/48/609355648.db2.gz KFNJEWJJGGOMSR-LLVKDONJSA-N -1 3 373.258 3.008 20 0 FGADHM C[C@H](NCc1ccc(-c2nn[n-]n2)cc1Br)c1cccc(O)c1 ZINC000824612105 609367920 /nfs/dbraw/zinc/36/79/20/609367920.db2.gz IZSAZCJSIADWKK-JTQLQIEISA-N -1 3 374.242 3.186 20 0 FGADHM CC[C@@H]1C[C@H](CC(=O)N(CC)[C@H](C)c2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000825180762 609375944 /nfs/dbraw/zinc/37/59/44/609375944.db2.gz ANKUYKDGKUDIFU-IIDMSEBBSA-N -1 3 371.485 3.372 20 0 FGADHM CC[C@@H]1C[C@H](CC(=O)N(CC)[C@H](C)c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000825180762 609375947 /nfs/dbraw/zinc/37/59/47/609375947.db2.gz ANKUYKDGKUDIFU-IIDMSEBBSA-N -1 3 371.485 3.372 20 0 FGADHM CC1(C)CC[C@H](C(=O)N2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)C1 ZINC000824796823 609380084 /nfs/dbraw/zinc/38/00/84/609380084.db2.gz SNOJDXNPIXVVON-HNNXBMFYSA-N -1 3 369.469 3.063 20 0 FGADHM CC1(C)CC[C@H](C(=O)N2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)C1 ZINC000824796823 609380086 /nfs/dbraw/zinc/38/00/86/609380086.db2.gz SNOJDXNPIXVVON-HNNXBMFYSA-N -1 3 369.469 3.063 20 0 FGADHM O=C(c1cccc(-c2nnn[n-]2)c1)N1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000826473876 609405852 /nfs/dbraw/zinc/40/58/52/609405852.db2.gz RWRXLQFKAVYXGU-CQSZACIVSA-N -1 3 365.412 3.416 20 0 FGADHM O=C(c1cccc(-c2nn[n-]n2)c1)N1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000826473876 609405853 /nfs/dbraw/zinc/40/58/53/609405853.db2.gz RWRXLQFKAVYXGU-CQSZACIVSA-N -1 3 365.412 3.416 20 0 FGADHM O=C(Nc1ccc(SC2CCCC2)cc1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826455673 609428252 /nfs/dbraw/zinc/42/82/52/609428252.db2.gz YXQYARKMBJCRKQ-UHFFFAOYSA-N -1 3 354.439 3.482 20 0 FGADHM O=C(Nc1ccc(SC2CCCC2)cc1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826455673 609428254 /nfs/dbraw/zinc/42/82/54/609428254.db2.gz YXQYARKMBJCRKQ-UHFFFAOYSA-N -1 3 354.439 3.482 20 0 FGADHM O=C(Nc1ccccc1N1CCc2ccccc21)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826457444 609431166 /nfs/dbraw/zinc/43/11/66/609431166.db2.gz BKRYOFAORXKPAT-UHFFFAOYSA-N -1 3 371.404 3.141 20 0 FGADHM O=C(Nc1ccccc1N1CCc2ccccc21)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826457444 609431169 /nfs/dbraw/zinc/43/11/69/609431169.db2.gz BKRYOFAORXKPAT-UHFFFAOYSA-N -1 3 371.404 3.141 20 0 FGADHM OCc1ccc(CNc2ccccc2Oc2ncccc2-c2nnn[n-]2)cc1 ZINC000826510507 609438719 /nfs/dbraw/zinc/43/87/19/609438719.db2.gz VJBNOHNOULTJCB-UHFFFAOYSA-N -1 3 374.404 3.158 20 0 FGADHM COc1ccc(CNc2c(F)cccc2NC(C)C)cc1-c1nnn[n-]1 ZINC000826203457 609440455 /nfs/dbraw/zinc/44/04/55/609440455.db2.gz OZWFMSLTRLTQLF-UHFFFAOYSA-N -1 3 356.405 3.447 20 0 FGADHM COc1ccc(CNc2c(F)cccc2NC(C)C)cc1-c1nn[n-]n1 ZINC000826203457 609440458 /nfs/dbraw/zinc/44/04/58/609440458.db2.gz OZWFMSLTRLTQLF-UHFFFAOYSA-N -1 3 356.405 3.447 20 0 FGADHM CC(C)[C@@H](C)NC(=O)CSc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000824191490 609450179 /nfs/dbraw/zinc/45/01/79/609450179.db2.gz FZNJTAXVRJNWSZ-SECBINFHSA-N -1 3 373.404 3.138 20 0 FGADHM CC(C)[C@@H](C)NC(=O)CSc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000824191490 609450180 /nfs/dbraw/zinc/45/01/80/609450180.db2.gz FZNJTAXVRJNWSZ-SECBINFHSA-N -1 3 373.404 3.138 20 0 FGADHM Cc1ccc(OCCCCNc2nc3ccccn3c2-c2nnn[n-]2)cc1 ZINC000826291994 609462350 /nfs/dbraw/zinc/46/23/50/609462350.db2.gz DMZQNZJVXQSOOO-UHFFFAOYSA-N -1 3 363.425 3.094 20 0 FGADHM Cc1ccc(OCCCCNc2nc3ccccn3c2-c2nn[n-]n2)cc1 ZINC000826291994 609462351 /nfs/dbraw/zinc/46/23/51/609462351.db2.gz DMZQNZJVXQSOOO-UHFFFAOYSA-N -1 3 363.425 3.094 20 0 FGADHM CC(C)(C)OC(=O)Nc1ccc(CNc2cccc(-c3nnn[n-]3)c2)cn1 ZINC000824114517 609474410 /nfs/dbraw/zinc/47/44/10/609474410.db2.gz VSEQYHFZDCGUPQ-UHFFFAOYSA-N -1 3 367.413 3.221 20 0 FGADHM CC(C)(C)OC(=O)Nc1ccc(CNc2cccc(-c3nn[n-]n3)c2)cn1 ZINC000824114517 609474411 /nfs/dbraw/zinc/47/44/11/609474411.db2.gz VSEQYHFZDCGUPQ-UHFFFAOYSA-N -1 3 367.413 3.221 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NCc1c(C)nn(C(C)(C)C)c1C ZINC000825626446 609476447 /nfs/dbraw/zinc/47/64/47/609476447.db2.gz MEUGYCIFNRCQHH-UHFFFAOYSA-N -1 3 369.473 3.446 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NCc1c(C)nn(C(C)(C)C)c1C ZINC000825626446 609476448 /nfs/dbraw/zinc/47/64/48/609476448.db2.gz MEUGYCIFNRCQHH-UHFFFAOYSA-N -1 3 369.473 3.446 20 0 FGADHM Fc1cc(NCc2cccc(-c3nnn[n-]3)c2F)ccc1OC(F)F ZINC000826372575 609477503 /nfs/dbraw/zinc/47/75/03/609477503.db2.gz CWUPHDKXEWWFGH-UHFFFAOYSA-N -1 3 353.279 3.358 20 0 FGADHM Fc1cc(NCc2cccc(-c3nn[n-]n3)c2F)ccc1OC(F)F ZINC000826372575 609477505 /nfs/dbraw/zinc/47/75/05/609477505.db2.gz CWUPHDKXEWWFGH-UHFFFAOYSA-N -1 3 353.279 3.358 20 0 FGADHM COCCOc1ccc(-c2nnn[n-]2)cc1NCc1csc(C(C)C)n1 ZINC000826162636 609485856 /nfs/dbraw/zinc/48/58/56/609485856.db2.gz LINLOCKWJXQTHN-UHFFFAOYSA-N -1 3 374.470 3.084 20 0 FGADHM COCCOc1ccc(-c2nn[n-]n2)cc1NCc1csc(C(C)C)n1 ZINC000826162636 609485857 /nfs/dbraw/zinc/48/58/57/609485857.db2.gz LINLOCKWJXQTHN-UHFFFAOYSA-N -1 3 374.470 3.084 20 0 FGADHM CCOC(=O)Nc1ccc(NCc2c(F)cccc2F)cc1-c1nnn[n-]1 ZINC000825552752 609487927 /nfs/dbraw/zinc/48/79/27/609487927.db2.gz DMGCQZYQXKUSFI-UHFFFAOYSA-N -1 3 374.351 3.325 20 0 FGADHM CCOC(=O)Nc1ccc(NCc2c(F)cccc2F)cc1-c1nn[n-]n1 ZINC000825552752 609487929 /nfs/dbraw/zinc/48/79/29/609487929.db2.gz DMGCQZYQXKUSFI-UHFFFAOYSA-N -1 3 374.351 3.325 20 0 FGADHM Cc1ccc2oc(SCCCOc3cccc(-c4nnn[n-]4)c3)nc2n1 ZINC000826295538 609491027 /nfs/dbraw/zinc/49/10/27/609491027.db2.gz LXOGPNBOTKZHBG-UHFFFAOYSA-N -1 3 368.422 3.273 20 0 FGADHM Cc1ccc2oc(SCCCOc3cccc(-c4nn[n-]n4)c3)nc2n1 ZINC000826295538 609491029 /nfs/dbraw/zinc/49/10/29/609491029.db2.gz LXOGPNBOTKZHBG-UHFFFAOYSA-N -1 3 368.422 3.273 20 0 FGADHM C[C@@H](C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)c1ccccc1 ZINC000826231922 609500096 /nfs/dbraw/zinc/50/00/96/609500096.db2.gz PTMABKZXOFESPO-SNVBAGLBSA-N -1 3 359.336 3.210 20 0 FGADHM C[C@@H](C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)c1ccccc1 ZINC000826231922 609500098 /nfs/dbraw/zinc/50/00/98/609500098.db2.gz PTMABKZXOFESPO-SNVBAGLBSA-N -1 3 359.336 3.210 20 0 FGADHM CCc1ccc(NC(=O)c2cc(C)n(-c3cccc(-c4nnn[n-]4)c3)n2)cc1 ZINC000825712203 609506123 /nfs/dbraw/zinc/50/61/23/609506123.db2.gz NEFQGIJTNNNIIA-UHFFFAOYSA-N -1 3 373.420 3.176 20 0 FGADHM CCc1ccc(NC(=O)c2cc(C)n(-c3cccc(-c4nn[n-]n4)c3)n2)cc1 ZINC000825712203 609506126 /nfs/dbraw/zinc/50/61/26/609506126.db2.gz NEFQGIJTNNNIIA-UHFFFAOYSA-N -1 3 373.420 3.176 20 0 FGADHM CCCCC[C@H](C)NC(=O)c1cc(C)n(-c2cccc(-c3nnn[n-]3)c2)n1 ZINC000825266908 609506425 /nfs/dbraw/zinc/50/64/25/609506425.db2.gz IJUFSTGMXQTSLV-ZDUSSCGKSA-N -1 3 367.457 3.059 20 0 FGADHM CCCCC[C@H](C)NC(=O)c1cc(C)n(-c2cccc(-c3nn[n-]n3)c2)n1 ZINC000825266908 609506427 /nfs/dbraw/zinc/50/64/27/609506427.db2.gz IJUFSTGMXQTSLV-ZDUSSCGKSA-N -1 3 367.457 3.059 20 0 FGADHM CCn1c(CNc2ncc(Cl)c(C)c2-c2nnn[n-]2)nc2ccccc21 ZINC000825788354 609521526 /nfs/dbraw/zinc/52/15/26/609521526.db2.gz OUJWPBMQNWRBGZ-UHFFFAOYSA-N -1 3 368.832 3.205 20 0 FGADHM CCn1c(CNc2ncc(Cl)c(C)c2-c2nn[n-]n2)nc2ccccc21 ZINC000825788354 609521527 /nfs/dbraw/zinc/52/15/27/609521527.db2.gz OUJWPBMQNWRBGZ-UHFFFAOYSA-N -1 3 368.832 3.205 20 0 FGADHM CC[C@@H]1C[C@@H](C(=O)N(CC(C)C)c2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000825176351 609523828 /nfs/dbraw/zinc/52/38/28/609523828.db2.gz QKMNEBINOHPMRW-DOTOQJQBSA-N -1 3 357.458 3.061 20 0 FGADHM CC[C@@H]1C[C@@H](C(=O)N(CC(C)C)c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000825176351 609523829 /nfs/dbraw/zinc/52/38/29/609523829.db2.gz QKMNEBINOHPMRW-DOTOQJQBSA-N -1 3 357.458 3.061 20 0 FGADHM COc1ccc(N(C#N)Cc2cc(F)ccc2-c2nnn[n-]2)cc1Cl ZINC000826209382 609524584 /nfs/dbraw/zinc/52/45/84/609524584.db2.gz ZNHQRXALHKMMLT-UHFFFAOYSA-N -1 3 358.764 3.155 20 0 FGADHM COc1ccc(N(C#N)Cc2cc(F)ccc2-c2nn[n-]n2)cc1Cl ZINC000826209382 609524585 /nfs/dbraw/zinc/52/45/85/609524585.db2.gz ZNHQRXALHKMMLT-UHFFFAOYSA-N -1 3 358.764 3.155 20 0 FGADHM Cc1ccnc(N[C@H](c2ccccc2)C2CCOCC2)c1-c1nnn[n-]1 ZINC000826311793 609555372 /nfs/dbraw/zinc/55/53/72/609555372.db2.gz NPMNPLHWOZYWET-QGZVFWFLSA-N -1 3 350.426 3.150 20 0 FGADHM Cc1ccnc(N[C@H](c2ccccc2)C2CCOCC2)c1-c1nn[n-]n1 ZINC000826311793 609555373 /nfs/dbraw/zinc/55/53/73/609555373.db2.gz NPMNPLHWOZYWET-QGZVFWFLSA-N -1 3 350.426 3.150 20 0 FGADHM Cc1c(Cl)cnc(N2CC[C@H](Cc3ccccc3)C2)c1-c1nnn[n-]1 ZINC000826238127 609559807 /nfs/dbraw/zinc/55/98/07/609559807.db2.gz XBAGJBBUEKJELA-CQSZACIVSA-N -1 3 354.845 3.293 20 0 FGADHM Cc1c(Cl)cnc(N2CC[C@H](Cc3ccccc3)C2)c1-c1nn[n-]n1 ZINC000826238127 609559810 /nfs/dbraw/zinc/55/98/10/609559810.db2.gz XBAGJBBUEKJELA-CQSZACIVSA-N -1 3 354.845 3.293 20 0 FGADHM Cc1ccnc(N[C@@H]2COc3c2ccc(Cl)c3Cl)c1-c1nnn[n-]1 ZINC000826312314 609562079 /nfs/dbraw/zinc/56/20/79/609562079.db2.gz BCUPEQAZBFBYSR-SNVBAGLBSA-N -1 3 363.208 3.423 20 0 FGADHM Cc1ccnc(N[C@@H]2COc3c2ccc(Cl)c3Cl)c1-c1nn[n-]n1 ZINC000826312314 609562082 /nfs/dbraw/zinc/56/20/82/609562082.db2.gz BCUPEQAZBFBYSR-SNVBAGLBSA-N -1 3 363.208 3.423 20 0 FGADHM C[C@H]1CC(C(=O)Nc2ccnn2-c2ccc(-c3nn[n-]n3)cc2)C[C@H](C)C1 ZINC000824875720 609578264 /nfs/dbraw/zinc/57/82/64/609578264.db2.gz NZXYDTJZUVOPLA-CHWSQXEVSA-N -1 3 365.441 3.063 20 0 FGADHM Brc1cc(-c2nn[n-]n2)ccc1NCC[C@H]1CCCCO1 ZINC000823826297 609580189 /nfs/dbraw/zinc/58/01/89/609580189.db2.gz GZOHNFZCSUDNFH-LLVKDONJSA-N -1 3 352.236 3.000 20 0 FGADHM CC(=O)c1c(C)[nH]c(C(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)c1C ZINC000824010347 609616898 /nfs/dbraw/zinc/61/68/98/609616898.db2.gz JYYPEUDNBWNUCS-UHFFFAOYSA-N -1 3 373.800 3.025 20 0 FGADHM CC(=O)c1c(C)[nH]c(C(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)c1C ZINC000824010347 609616900 /nfs/dbraw/zinc/61/69/00/609616900.db2.gz JYYPEUDNBWNUCS-UHFFFAOYSA-N -1 3 373.800 3.025 20 0 FGADHM O=C(COC(=O)CC12CC3CC(CC(C3)C1)C2)[N-]C(=O)c1cccs1 ZINC000007091277 695562824 /nfs/dbraw/zinc/56/28/24/695562824.db2.gz BWPAQHIGHNMCSA-UHFFFAOYSA-N -1 3 361.463 3.154 20 0 FGADHM COc1cc(NC(=O)COC(=O)c2cc(Cl)c(Cl)[n-]2)cc(OC)c1 ZINC000011809000 695602575 /nfs/dbraw/zinc/60/25/75/695602575.db2.gz ZJSFHWBIVFYLCE-UHFFFAOYSA-N -1 3 373.192 3.134 20 0 FGADHM O=C(CCCSc1ccc(Cl)cc1)NNC(=O)c1ccccc1[O-] ZINC000017526686 695634476 /nfs/dbraw/zinc/63/44/76/695634476.db2.gz KNVHITVZMZWPHQ-UHFFFAOYSA-N -1 3 364.854 3.379 20 0 FGADHM O=C(NCCNc1ncc(C(F)(F)F)cc1Cl)c1ccccc1[O-] ZINC000018215817 695636713 /nfs/dbraw/zinc/63/67/13/695636713.db2.gz OOXULOVEELCXRF-UHFFFAOYSA-N -1 3 359.735 3.301 20 0 FGADHM COC(=O)C1([N-]S(=O)(=O)/C=C/c2ccc(Cl)cc2)CCCCCC1 ZINC000027972982 695698866 /nfs/dbraw/zinc/69/88/66/695698866.db2.gz ZVTDFXNKQSGJFT-JLHYYAGUSA-N -1 3 371.886 3.496 20 0 FGADHM O=C([N-]NC(=O)c1ccc2cc[nH]c2c1)c1ccccc1Br ZINC000032478388 695745693 /nfs/dbraw/zinc/74/56/93/695745693.db2.gz ARSDUGOMXPQONV-UHFFFAOYSA-N -1 3 358.195 3.005 20 0 FGADHM C[C@@H]1CCCN(CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000046035140 695830621 /nfs/dbraw/zinc/83/06/21/695830621.db2.gz CRUAPAMYMJYJOE-LLVKDONJSA-N -1 3 351.299 3.004 20 0 FGADHM CN(C)[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1ccco1 ZINC000047031422 695849853 /nfs/dbraw/zinc/84/98/53/695849853.db2.gz QZFXNSRENVHGNV-GFCCVEGCSA-N -1 3 363.266 3.168 20 0 FGADHM CN(C)[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1F)c1cccs1 ZINC000047031704 695850000 /nfs/dbraw/zinc/85/00/00/695850000.db2.gz MANLAORKJFSUBZ-GFCCVEGCSA-N -1 3 362.879 3.122 20 0 FGADHM Cc1cc(C)cc(NC(=S)N[N-]C(=O)c2ccc3ccccc3n2)c1 ZINC000047582630 695862405 /nfs/dbraw/zinc/86/24/05/695862405.db2.gz AWBLCKNIXNIOEB-UHFFFAOYSA-N -1 3 350.447 3.483 20 0 FGADHM O=S(=O)([N-]C[C@@H]1COc2ccccc2C1)c1ccc(Cl)cc1F ZINC000052537079 695923263 /nfs/dbraw/zinc/92/32/63/695923263.db2.gz 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C[C@H](CN(C)c1nc2ccccc2cc1-c1nn[n-]n1)c1nccs1 ZINC000824414353 729336754 /nfs/dbraw/zinc/33/67/54/729336754.db2.gz ZZGUNGGMZYPOBL-LLVKDONJSA-N -1 3 351.439 3.111 20 0 FGADHM C[C@@H]1C[C@@H](CCNc2ccc(Br)cc2-c2nnn[n-]2)CCO1 ZINC000824883667 729363660 /nfs/dbraw/zinc/36/36/60/729363660.db2.gz INDMNTJCFYLDFY-MNOVXSKESA-N -1 3 366.263 3.246 20 0 FGADHM C[C@@H]1C[C@@H](CCNc2ccc(Br)cc2-c2nn[n-]n2)CCO1 ZINC000824883667 729363661 /nfs/dbraw/zinc/36/36/61/729363661.db2.gz INDMNTJCFYLDFY-MNOVXSKESA-N -1 3 366.263 3.246 20 0 FGADHM CCC[C@@H](C)NC(=O)[C@H](C)Sc1cccc(Cl)c1-c1nnn[n-]1 ZINC000825232121 729375274 /nfs/dbraw/zinc/37/52/74/729375274.db2.gz CGLLBVJQBGEVAM-ZJUUUORDSA-N -1 3 353.879 3.306 20 0 FGADHM CCC[C@@H](C)NC(=O)[C@H](C)Sc1cccc(Cl)c1-c1nn[n-]n1 ZINC000825232121 729375277 /nfs/dbraw/zinc/37/52/77/729375277.db2.gz CGLLBVJQBGEVAM-ZJUUUORDSA-N -1 3 353.879 3.306 20 0 FGADHM CCN(Cc1ncc(COC)s1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825445299 729383490 /nfs/dbraw/zinc/38/34/90/729383490.db2.gz 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O=S(=O)([N-]CCCN1CCc2ccccc21)c1ccc(F)cc1Cl ZINC000030009356 493873680 /nfs/dbraw/zinc/87/36/80/493873680.db2.gz MRFANWBSKSEJNS-UHFFFAOYSA-N -1 3 368.861 3.210 20 0 FGADHM COc1cc(F)c(S(=O)(=O)[N-]C2(c3ccccc3)CCC2)cc1OC ZINC000030384372 493889999 /nfs/dbraw/zinc/88/99/99/493889999.db2.gz GVLGOUVPAOGPPM-UHFFFAOYSA-N -1 3 365.426 3.201 20 0 FGADHM C[C@@]1(c2cccc(C(F)(F)F)c2)[N-]C(=O)N(CCC(F)(F)F)C1=O ZINC000076424112 493890402 /nfs/dbraw/zinc/89/04/02/493890402.db2.gz PDDTZRNKCJQDGX-LBPRGKRZSA-N -1 3 354.250 3.425 20 0 FGADHM C[C@H](NC(=O)C(C)(C)C)C(=O)Nc1cc(Cc2ccccc2)ccc1[O-] ZINC000081459873 493898247 /nfs/dbraw/zinc/89/82/47/493898247.db2.gz QBGBSGPERWLTMV-AWEZNQCLSA-N -1 3 354.450 3.472 20 0 FGADHM COC(=O)c1sc2[n-]c(CC(=O)c3cc(C)cc(C)c3)nc(=O)c2c1C ZINC000050186647 493905960 /nfs/dbraw/zinc/90/59/60/493905960.db2.gz KUECYAHWOQWYQY-UHFFFAOYSA-N -1 3 370.430 3.122 20 0 FGADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(OC)ccc2Cl)c(C)c1 ZINC000050532817 493920295 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COc1ccccc1-c1nnc(SCC(=O)Nc2ccccc2[O-])o1 ZINC000006175025 493954097 /nfs/dbraw/zinc/95/40/97/493954097.db2.gz WRNGORQKOFVVRB-UHFFFAOYSA-N -1 3 357.391 3.182 20 0 FGADHM Cc1ccc(C(=O)N2CCCN(C(=O)CCc3ccccc3)CC2)c([O-])c1 ZINC000081810723 493958135 /nfs/dbraw/zinc/95/81/35/493958135.db2.gz FEOGKSVPFJBDAG-UHFFFAOYSA-N -1 3 366.461 3.008 20 0 FGADHM COC(=O)[C@H](C)SCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000060897880 493958642 /nfs/dbraw/zinc/95/86/42/493958642.db2.gz FINULQNQCJGGMU-JTQLQIEISA-N -1 3 360.460 3.446 20 0 FGADHM C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000574099433 505693020 /nfs/dbraw/zinc/69/30/20/505693020.db2.gz VTQQVTYRLOLGJX-BDJLRTHQSA-N -1 3 373.840 3.315 20 0 FGADHM CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000032419908 493987908 /nfs/dbraw/zinc/98/79/08/493987908.db2.gz QBBOGGXKSWNSQK-CVEARBPZSA-N -1 3 352.500 3.393 20 0 FGADHM Cc1c([N-]S(=O)(=O)C[C@@H]2CCCCO2)cccc1OCC(F)(F)F ZINC000076937269 493992274 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CCCOc1ccc([C@H](C)NC(=O)c2ccc3n[n-]nc3c2)cc1OC ZINC000053581037 494149894 /nfs/dbraw/zinc/14/98/94/494149894.db2.gz KDQFRXULKZAQCX-LBPRGKRZSA-N -1 3 354.410 3.246 20 0 FGADHM Cc1noc(C2CCN(Cc3nc4c5ccccc5oc4c(=O)[n-]3)CC2)n1 ZINC000053640912 494155279 /nfs/dbraw/zinc/15/52/79/494155279.db2.gz XSIGREDBTGMXLV-UHFFFAOYSA-N -1 3 365.393 3.153 20 0 FGADHM COc1nc2ccc(NC(=O)c3c[n-]nc3-c3ccncc3)cc2s1 ZINC000577307145 505703723 /nfs/dbraw/zinc/70/37/23/505703723.db2.gz HZNZWYUEZKFFDG-UHFFFAOYSA-N -1 3 351.391 3.342 20 0 FGADHM COc1nc2ccc(NC(=O)c3cn[n-]c3-c3ccncc3)cc2s1 ZINC000577307145 505703727 /nfs/dbraw/zinc/70/37/27/505703727.db2.gz HZNZWYUEZKFFDG-UHFFFAOYSA-N -1 3 351.391 3.342 20 0 FGADHM CC(C)Cc1nnc([N-]C(=O)c2ccccc2S(=O)(=O)C(C)C)s1 ZINC000041759503 494174630 /nfs/dbraw/zinc/17/46/30/494174630.db2.gz WQUPEEJDMAGHFA-UHFFFAOYSA-N -1 3 367.496 3.171 20 0 FGADHM CC(=O)NCCc1ccc(-c2csc([N-]C(=O)c3cc(C)no3)n2)cc1 ZINC000011500895 494179586 /nfs/dbraw/zinc/17/95/86/494179586.db2.gz 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494238075 /nfs/dbraw/zinc/23/80/75/494238075.db2.gz NZSNIBUNNJLRBW-UHFFFAOYSA-N -1 3 357.370 3.478 20 0 FGADHM C[C@@H](COCC(F)(F)F)[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000065793859 494238536 /nfs/dbraw/zinc/23/85/36/494238536.db2.gz MYRSGUZPXHZXNH-ZETCQYMHSA-N -1 3 366.188 3.239 20 0 FGADHM CC[C@@H]([N-]S(=O)(=O)c1ccccc1C(F)(F)F)C1CCOCC1 ZINC000072719424 494240470 /nfs/dbraw/zinc/24/04/70/494240470.db2.gz CECGJAFSSYJMOW-CYBMUJFWSA-N -1 3 351.390 3.189 20 0 FGADHM COc1ccc(F)c([N-]S(=O)(=O)c2ccc3c(c2)CC(C)(C)O3)c1 ZINC000088547099 494248914 /nfs/dbraw/zinc/24/89/14/494248914.db2.gz XSZZKBCLRCDTDH-UHFFFAOYSA-N -1 3 351.399 3.349 20 0 FGADHM CCOC[C@H](NCc1csc2c1cccc2Br)C(=O)[O-] ZINC000574171771 505711030 /nfs/dbraw/zinc/71/10/30/505711030.db2.gz ZHTOAQNSWDANMM-LBPRGKRZSA-N -1 3 358.257 3.243 20 0 FGADHM CCCc1ccc(S(=O)(=O)[N-]c2ccc(CC(=O)N(C)C)cc2)cc1 ZINC000013849438 494296780 /nfs/dbraw/zinc/29/67/80/494296780.db2.gz ZUDRSGDPPQRORH-UHFFFAOYSA-N -1 3 360.479 3.071 20 0 FGADHM CC[C@H](C)c1ccccc1OCC(=O)[N-]c1ncnn1-c1ccccc1 ZINC000571348719 505712041 /nfs/dbraw/zinc/71/20/41/505712041.db2.gz XXTJUYNAQJRQPM-HNNXBMFYSA-N -1 3 350.422 3.220 20 0 FGADHM COC(=O)c1ccc(C(=O)Nc2ccc(C(=O)OC(C)(C)C)c(C)c2)[n-]1 ZINC000571349744 505712096 /nfs/dbraw/zinc/71/20/96/505712096.db2.gz HHHAFKOUWZTYLC-UHFFFAOYSA-N -1 3 358.394 3.317 20 0 FGADHM COC(=O)c1sc([N-]C(=O)c2c(F)cc(F)cc2F)nc1C1CC1 ZINC000089441144 494307091 /nfs/dbraw/zinc/30/70/91/494307091.db2.gz BHXPRLLDBNTDOX-UHFFFAOYSA-N -1 3 356.325 3.477 20 0 FGADHM CSc1ccc([C@@H](C)[N-]S(=O)(=O)c2c(C)nn(C)c2Cl)cc1 ZINC000055244645 494317613 /nfs/dbraw/zinc/31/76/13/494317613.db2.gz OOHIRIBOMPZNIF-SECBINFHSA-N -1 3 359.904 3.143 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](C)c2cccc(OC(F)F)c2)c1 ZINC000055256323 494319454 /nfs/dbraw/zinc/31/94/54/494319454.db2.gz IUBYKSCXSAIXHX-SNVBAGLBSA-N -1 3 364.348 3.443 20 0 FGADHM Cc1cccc(C2(NC(=O)CCc3c(C)nc(C)[n-]c3=O)CCCC2)c1 ZINC000066511661 494347220 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CN(Cc1cccc(Cl)c1)C(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000044852826 494384412 /nfs/dbraw/zinc/38/44/12/494384412.db2.gz ABQWZLCUHHEEEG-KRWDZBQOSA-N -1 3 372.852 3.309 20 0 FGADHM CC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000055676953 494387827 /nfs/dbraw/zinc/38/78/27/494387827.db2.gz UUKYJLVAGVWPDX-UHFFFAOYSA-N -1 3 360.769 3.377 20 0 FGADHM CCC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccc(OC)c(C)c2)c1 ZINC000078983465 494388665 /nfs/dbraw/zinc/38/86/65/494388665.db2.gz LUGBMSDPTGUXMG-UHFFFAOYSA-N -1 3 362.451 3.461 20 0 FGADHM CC(C)(C)c1ccc(NC(=O)CCn2[n-]c(=O)c3ccccc3c2=O)cc1 ZINC000018114647 494424681 /nfs/dbraw/zinc/42/46/81/494424681.db2.gz KSGYFHRRYIUSJU-UHFFFAOYSA-N -1 3 365.433 3.016 20 0 FGADHM COc1cc2nc(C)sc2cc1NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000577408748 505722128 /nfs/dbraw/zinc/72/21/28/505722128.db2.gz FYMMFMIEYWLSOZ-UHFFFAOYSA-N -1 3 356.407 3.239 20 0 FGADHM O=C(c1cc2ccccc2s1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000073862168 494438802 /nfs/dbraw/zinc/43/88/02/494438802.db2.gz NLOKMFSPTXVREK-UHFFFAOYSA-N -1 3 366.442 3.205 20 0 FGADHM O=S(=O)([N-]Cc1ccc(OC2CCCC2)nc1)c1ccccc1F ZINC000056096523 494453572 /nfs/dbraw/zinc/45/35/72/494453572.db2.gz UYTTZMRQQIQSIZ-UHFFFAOYSA-N -1 3 350.415 3.021 20 0 FGADHM COc1ccccc1SCC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000067008073 494453995 /nfs/dbraw/zinc/45/39/95/494453995.db2.gz DTYNEAHKGZNVJF-UHFFFAOYSA-N -1 3 351.449 3.042 20 0 FGADHM O=S(=O)([N-]C[C@H]1CCCOC1)c1cc(C(F)(F)F)ccc1Cl ZINC000056130252 494459150 /nfs/dbraw/zinc/45/91/50/494459150.db2.gz FXPYWKMPXKEBTL-SECBINFHSA-N -1 3 357.781 3.064 20 0 FGADHM Cc1ccc(F)c(S(=O)(=O)[N-][C@H](c2ccc(F)cc2)[C@H]2CCCO2)c1 ZINC000056137590 494459695 /nfs/dbraw/zinc/45/96/95/494459695.db2.gz DPPHHBSKWUOTRD-SJLPKXTDSA-N -1 3 367.417 3.472 20 0 FGADHM Cc1ccc(Cl)c(O[C@@H](C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)c1 ZINC000020497878 494475032 /nfs/dbraw/zinc/47/50/32/494475032.db2.gz PZNVZCLSSWGHSV-NSHDSACASA-N -1 3 357.801 3.235 20 0 FGADHM Cc1ccc(Cl)c(O[C@@H](C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)c1 ZINC000020497878 494475036 /nfs/dbraw/zinc/47/50/36/494475036.db2.gz PZNVZCLSSWGHSV-NSHDSACASA-N -1 3 357.801 3.235 20 0 FGADHM COC(=O)[C@@H]([N-]S(=O)(=O)CCC1CCC1)c1ccc2ccccc2c1 ZINC000568564592 505723391 /nfs/dbraw/zinc/72/33/91/505723391.db2.gz CJQBYYRBRMXZTA-SFHVURJKSA-N -1 3 361.463 3.164 20 0 FGADHM CC(=O)Nc1cc(NC(C)=O)cc(C(=O)Nc2cc(Cl)ccc2[O-])c1 ZINC000021004168 494485317 /nfs/dbraw/zinc/48/53/17/494485317.db2.gz DUVRWKXNTQDVID-UHFFFAOYSA-N -1 3 361.785 3.215 20 0 FGADHM NC(=O)[C@H](Sc1n[n-]c(COc2ccc(Cl)cc2)n1)c1ccccc1 ZINC000021446624 494496465 /nfs/dbraw/zinc/49/64/65/494496465.db2.gz ZTXLAZBBNYNPQP-OAHLLOKOSA-N -1 3 374.853 3.356 20 0 FGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000056409645 494501837 /nfs/dbraw/zinc/50/18/37/494501837.db2.gz LNUJCIWBSHFJPR-GHMZBOCLSA-N -1 3 364.389 3.365 20 0 FGADHM Cc1cc(N2CCOCC2)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000046303611 494513668 /nfs/dbraw/zinc/51/36/68/494513668.db2.gz XDVHNGBVPYKHCJ-UHFFFAOYSA-N -1 3 372.490 3.121 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)c3ccoc3C(F)(F)F)[n-]c21 ZINC000577431410 505725355 /nfs/dbraw/zinc/72/53/55/505725355.db2.gz XSXZQURIZLHJMK-UHFFFAOYSA-N -1 3 353.256 3.214 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccoc3C(F)(F)F)nc21 ZINC000577431410 505725360 /nfs/dbraw/zinc/72/53/60/505725360.db2.gz XSXZQURIZLHJMK-UHFFFAOYSA-N -1 3 353.256 3.214 20 0 FGADHM Cc1ccc(C(=O)Nc2nc(CN3C[C@@H](C)O[C@@H](C)C3)cs2)c([O-])c1 ZINC000022296945 494519412 /nfs/dbraw/zinc/51/94/12/494519412.db2.gz JKDSNMSWKKFXRY-BETUJISGSA-N -1 3 361.467 3.019 20 0 FGADHM COC[C@@H]([N-]S(=O)(=O)c1cccc(F)c1C)c1ccc(F)c(F)c1 ZINC000091056527 494520917 /nfs/dbraw/zinc/52/09/17/494520917.db2.gz ZOAXKCAITZHXIU-OAHLLOKOSA-N -1 3 359.369 3.078 20 0 FGADHM Cc1n[nH]c(C)c1[C@H]1CCCN1Cc1cc(=O)oc2c(C)c([O-])ccc12 ZINC000091081341 494526964 /nfs/dbraw/zinc/52/69/64/494526964.db2.gz BTCLBOWNUHYKCM-MRXNPFEDSA-N -1 3 353.422 3.484 20 0 FGADHM CCCCNS(=O)(=O)c1cccc(NC(=O)c2ccc(C)cc2[O-])c1 ZINC000023308044 494560838 /nfs/dbraw/zinc/56/08/38/494560838.db2.gz BUXNCTIOICUKNP-UHFFFAOYSA-N -1 3 362.451 3.031 20 0 FGADHM CCCn1c(=O)[n-]nc1S[C@@H](C)C(=O)N1CCC[C@H]1c1cccs1 ZINC000023763884 494581163 /nfs/dbraw/zinc/58/11/63/494581163.db2.gz WZCCROGWBXRBBL-RYUDHWBXSA-N -1 3 366.512 3.300 20 0 FGADHM CCCn1c(=O)[n-]nc1S[C@@H](C)C(=O)N(Cc1ccccc1)C(C)C ZINC000023763033 494581354 /nfs/dbraw/zinc/58/13/54/494581354.db2.gz YELPDAIQEIMPGV-AWEZNQCLSA-N -1 3 362.499 3.312 20 0 FGADHM CCCCN(C)[C@@H](C)c1nc(=O)c2c(C)c(C(=O)OCC)sc2[n-]1 ZINC000023991767 494593437 /nfs/dbraw/zinc/59/34/37/494593437.db2.gz AFAWZBKZSSEDBB-NSHDSACASA-N -1 3 351.472 3.263 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)N1CC[C@H](OCCCc2ccccc2)C1 ZINC000080147983 494613775 /nfs/dbraw/zinc/61/37/75/494613775.db2.gz KNPKJKJEQGBTHK-SFHVURJKSA-N -1 3 372.440 3.465 20 0 FGADHM CC[C@H](CSc1ccc(C)c(C)c1)NC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000131432683 494617608 /nfs/dbraw/zinc/61/76/08/494617608.db2.gz BROPHKZWATXFNR-MRXNPFEDSA-N -1 3 373.522 3.233 20 0 FGADHM CCCCn1c(=O)[n-]nc1SCC(=O)N[C@H](c1ccccc1)C1CC1 ZINC000024300349 494620694 /nfs/dbraw/zinc/62/06/94/494620694.db2.gz JWJQXMNILWXQHB-MRXNPFEDSA-N -1 3 360.483 3.143 20 0 FGADHM COc1cc(F)c(S(=O)(=O)[N-]Cc2ccc(SC)cc2)cc1OC ZINC000057022302 494622711 /nfs/dbraw/zinc/62/27/11/494622711.db2.gz BIZXKTYQPDAXBD-UHFFFAOYSA-N -1 3 371.455 3.043 20 0 FGADHM Cc1ccc([O-])c(CN2CCO[C@H](c3ccc(Br)cc3)C2)n1 ZINC000092452147 494630366 /nfs/dbraw/zinc/63/03/66/494630366.db2.gz YORYKXRPIFECIE-KRWDZBQOSA-N -1 3 363.255 3.432 20 0 FGADHM CCN1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1cc(F)ccc1[O-] ZINC000091694361 494648019 /nfs/dbraw/zinc/64/80/19/494648019.db2.gz AFEKHOIURYKKLE-QGZVFWFLSA-N -1 3 372.440 3.364 20 0 FGADHM Cc1noc(C)c1C[C@H](C)[N-]S(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000121230476 494658284 /nfs/dbraw/zinc/65/82/84/494658284.db2.gz FQZFLSCLUGUWCJ-VIFPVBQESA-N -1 3 360.838 3.302 20 0 FGADHM C[C@H]1C[C@H]([N-]S(=O)(=O)c2cccs2)CCN1Cc1ccccc1 ZINC000080275822 494660284 /nfs/dbraw/zinc/66/02/84/494660284.db2.gz REMRGEXDUTZCNI-GOEBONIOSA-N -1 3 350.509 3.080 20 0 FGADHM Cc1c(C(=O)Nc2cccc(-c3nnn[n-]3)c2)cnn1-c1cc(C)ccc1C ZINC000131575763 494663136 /nfs/dbraw/zinc/66/31/36/494663136.db2.gz OGGLQBICIKPLIZ-UHFFFAOYSA-N -1 3 373.420 3.230 20 0 FGADHM Cc1c(C(=O)Nc2cccc(-c3nn[n-]n3)c2)cnn1-c1cc(C)ccc1C ZINC000131575763 494663143 /nfs/dbraw/zinc/66/31/43/494663143.db2.gz OGGLQBICIKPLIZ-UHFFFAOYSA-N -1 3 373.420 3.230 20 0 FGADHM O=S(=O)([N-][C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F)c1c[nH]cn1 ZINC000092556970 494668718 /nfs/dbraw/zinc/66/87/18/494668718.db2.gz WEFUONCUAGKDKF-WCQYABFASA-N -1 3 359.373 3.043 20 0 FGADHM COC(=O)CCCC[N-]S(=O)(=O)c1c(C)c(Cl)cc(C)c1Cl ZINC000115986826 494673164 /nfs/dbraw/zinc/67/31/64/494673164.db2.gz RGUYYAAAOVJBAH-UHFFFAOYSA-N -1 3 368.282 3.232 20 0 FGADHM C[C@]12CCCN1C[C@@H](c1noc(CCCc3ccc([O-])c(F)c3)n1)OC2 ZINC000571446221 505735034 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O=S(=O)([N-][C@H](CCCO)c1ccccc1)c1ccc(F)cc1Cl ZINC000121423926 494748778 /nfs/dbraw/zinc/74/87/78/494748778.db2.gz XLBCRUVFRKEGSM-OAHLLOKOSA-N -1 3 357.834 3.271 20 0 FGADHM CCCc1c(C(=O)[N-]c2nnc(C)s2)nnn1-c1cccc(Cl)c1 ZINC000068073080 494750425 /nfs/dbraw/zinc/75/04/25/494750425.db2.gz FTWYFWFVVKHRNT-UHFFFAOYSA-N -1 3 362.846 3.285 20 0 FGADHM COc1ccc(C(=O)N[C@H](C)c2nc(-c3cccc(F)c3)no2)c([O-])c1 ZINC000075385507 494751756 /nfs/dbraw/zinc/75/17/56/494751756.db2.gz XAEBTDILDZWGSF-SNVBAGLBSA-N -1 3 357.341 3.081 20 0 FGADHM Cc1ccccc1S(=O)(=O)[N-]c1ccc(OCc2nccn2C)cc1 ZINC000108639307 494755112 /nfs/dbraw/zinc/75/51/12/494755112.db2.gz ZIBBIOCCCMVEIG-UHFFFAOYSA-N -1 3 357.435 3.108 20 0 FGADHM CC[C@@H]1CN(C(=O)CNC(=O)c2ccc([O-])cc2)CC[C@H]1c1ccccc1 ZINC000080656614 494755691 /nfs/dbraw/zinc/75/56/91/494755691.db2.gz MATGWESTQNAJMY-OXQOHEQNSA-N -1 3 366.461 3.164 20 0 FGADHM CC[C@H]1CN(C(=O)CNC(=O)c2ccc([O-])cc2)CC[C@@H]1c1ccccc1 ZINC000080656611 494757144 /nfs/dbraw/zinc/75/71/44/494757144.db2.gz MATGWESTQNAJMY-JXFKEZNVSA-N -1 3 366.461 3.164 20 0 FGADHM C[C@@H]1CCN(C(=O)c2c([O-])cc(F)cc2F)CCN1Cc1ccccc1 ZINC000075490520 494775444 /nfs/dbraw/zinc/77/54/44/494775444.db2.gz YFKJSPYADCZWJX-CQSZACIVSA-N -1 3 360.404 3.407 20 0 FGADHM CCc1cc(=O)c2cc(NC(=O)c3c[n-]c4ccc(C)cc4c3=O)ccc2[nH]1 ZINC000574303085 505742392 /nfs/dbraw/zinc/74/23/92/505742392.db2.gz GTRUBGCHUUGPDX-UHFFFAOYSA-N -1 3 373.412 3.493 20 0 FGADHM COc1cc(-c2nc(-c3ccc(Br)o3)no2)cc(OC)c1[O-] ZINC000132015311 494799751 /nfs/dbraw/zinc/79/97/51/494799751.db2.gz MCOPSKHTGVAUHY-UHFFFAOYSA-N -1 3 367.155 3.482 20 0 FGADHM Cc1nc(C)c(CCC(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)c(=O)[n-]1 ZINC000075633792 494806515 /nfs/dbraw/zinc/80/65/15/494806515.db2.gz OWULEZBZKFIXBM-QGZVFWFLSA-N -1 3 359.857 3.336 20 0 FGADHM Cc1nccn1CCCC[N-]S(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000121609875 494818547 /nfs/dbraw/zinc/81/85/47/494818547.db2.gz ORUOLISWUHNVHY-UHFFFAOYSA-N -1 3 359.854 3.051 20 0 FGADHM COc1ccc(NC(=O)CCNC(=O)c2ccc(C)cc2[O-])cc1Cl ZINC000116651919 494831383 /nfs/dbraw/zinc/83/13/83/494831383.db2.gz PGYUIRPMWMJILX-UHFFFAOYSA-N -1 3 362.813 3.121 20 0 FGADHM Cc1cc(C)n(-c2ccccc2CNC(=O)c2c[n-]c3ccccc3c2=O)n1 ZINC000132219559 494841369 /nfs/dbraw/zinc/84/13/69/494841369.db2.gz SGOGPCRUHONHOR-UHFFFAOYSA-N -1 3 372.428 3.261 20 0 FGADHM O=S(=O)([N-]C[C@@H]1Cc2ccccc2O1)c1cccc(Cl)c1Cl ZINC000026865737 494842007 /nfs/dbraw/zinc/84/20/07/494842007.db2.gz IBIMWACTGPCRIQ-NSHDSACASA-N -1 3 358.246 3.275 20 0 FGADHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C[S@](C)=O)c2C)cc1 ZINC000116711916 494842378 /nfs/dbraw/zinc/84/23/78/494842378.db2.gz FDNVHRWTZFJDLE-HSZRJFAPSA-N -1 3 367.492 3.073 20 0 FGADHM Cc1ccc([O-])c(C(=O)N2CSC[C@H]2C(=O)Nc2ccccc2C)c1 ZINC000109215120 494848217 /nfs/dbraw/zinc/84/82/17/494848217.db2.gz GAEDFESJTMDBBR-INIZCTEOSA-N -1 3 356.447 3.163 20 0 FGADHM Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)CCc2c(C)nc(C)[n-]c2=O)C1 ZINC000121789010 494860597 /nfs/dbraw/zinc/86/05/97/494860597.db2.gz FPVSJGKOKFOUHX-WMLDXEAASA-N -1 3 353.466 3.032 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1c[nH]nc1-c1ccccc1Cl ZINC000132364030 494862437 /nfs/dbraw/zinc/86/24/37/494862437.db2.gz XQVVHLDXMLTNPS-UHFFFAOYSA-N -1 3 365.784 3.163 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1c[nH]nc1-c1ccccc1Cl ZINC000132364030 494862440 /nfs/dbraw/zinc/86/24/40/494862440.db2.gz XQVVHLDXMLTNPS-UHFFFAOYSA-N -1 3 365.784 3.163 20 0 FGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)CCc1ccccc1OCC ZINC000093312912 494866148 /nfs/dbraw/zinc/86/61/48/494866148.db2.gz BAGASKGHDUTGMB-UHFFFAOYSA-N -1 3 360.410 3.384 20 0 FGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000093313533 494866160 /nfs/dbraw/zinc/86/61/60/494866160.db2.gz YDLBQHDOWFLRLC-NXEZZACHSA-N -1 3 364.348 3.434 20 0 FGADHM CCc1ccc([O-])c(C(=O)N2CCCN(C(=O)c3ccc(F)cc3)CC2)c1 ZINC000132497254 494883556 /nfs/dbraw/zinc/88/35/56/494883556.db2.gz TZTQREQOLIXXBC-UHFFFAOYSA-N -1 3 370.424 3.082 20 0 FGADHM C[C@@H](Sc1n[n-]c(-c2ccccn2)n1)C(=O)NC[C@@H](C)c1ccccc1 ZINC000117114108 494891819 /nfs/dbraw/zinc/89/18/19/494891819.db2.gz HXJQONFQLWBEIA-ZIAGYGMSSA-N -1 3 367.478 3.267 20 0 FGADHM CC(=O)c1ccccc1NC(=O)[C@@H](C)Sc1n[n-]c(-c2ccccn2)n1 ZINC000117114175 494892263 /nfs/dbraw/zinc/89/22/63/494892263.db2.gz XFCAJIOXKWMQTB-GFCCVEGCSA-N -1 3 367.434 3.189 20 0 FGADHM CC(C)N(C(=O)CSc1n[n-]c(-c2ccccn2)n1)c1ccccc1 ZINC000117114632 494892874 /nfs/dbraw/zinc/89/28/74/494892874.db2.gz OCRWXCUNJOQEKM-UHFFFAOYSA-N -1 3 353.451 3.400 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2cccc(-c3n[nH]c(C)n3)c2)c(C)c1C ZINC000117228726 494902538 /nfs/dbraw/zinc/90/25/38/494902538.db2.gz DIGBARWYPZKYHF-UHFFFAOYSA-N -1 3 372.450 3.206 20 0 FGADHM [O-]c1ccc(Br)c(CN2CCC([C@H](O)C(F)(F)F)CC2)c1 ZINC000093766695 494918428 /nfs/dbraw/zinc/91/84/28/494918428.db2.gz LXKUFMVMWMNGNC-ZDUSSCGKSA-N -1 3 368.193 3.290 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)c1cnn(Cc2ccccc2Cl)c1 ZINC000132779353 494923315 /nfs/dbraw/zinc/92/33/15/494923315.db2.gz YWZHHSKJRYRFMV-UHFFFAOYSA-N -1 3 359.788 3.360 20 0 FGADHM Cc1csc([C@H]([N-]S(=O)(=O)Cc2ccc(F)cc2F)C2CC2)n1 ZINC000127350358 494932363 /nfs/dbraw/zinc/93/23/63/494932363.db2.gz UYAUXGULZUNIHO-CQSZACIVSA-N -1 3 358.435 3.300 20 0 FGADHM O=C(Nc1ccccc1O)[C@@H]1CCC[C@H](C(=O)Nc2ccccc2[O-])C1 ZINC000127386594 494937597 /nfs/dbraw/zinc/93/75/97/494937597.db2.gz MXWOXXNLKWAGCE-OKILXGFUSA-N -1 3 354.406 3.481 20 0 FGADHM O=C(Nc1ccccc1[O-])[C@@H]1CCC[C@H](C(=O)Nc2ccccc2O)C1 ZINC000127386594 494937600 /nfs/dbraw/zinc/93/76/00/494937600.db2.gz MXWOXXNLKWAGCE-OKILXGFUSA-N -1 3 354.406 3.481 20 0 FGADHM CCc1cccc(C(=O)N2CCC[C@H](C(=O)Nc3cccc(C)n3)C2)c1[O-] ZINC000094019253 494940858 /nfs/dbraw/zinc/94/08/58/494940858.db2.gz HSEOSNPNKNJEBY-INIZCTEOSA-N -1 3 367.449 3.149 20 0 FGADHM Cc1cccc(C(=O)NCc2cccc(NC(=O)N3CCCC3)c2)c1[O-] ZINC000094033107 494941714 /nfs/dbraw/zinc/94/17/14/494941714.db2.gz JBTBDFRRGQZETA-UHFFFAOYSA-N -1 3 353.422 3.258 20 0 FGADHM CC[C@@H]([N-]S(=O)(=O)c1cnc2onc(C)c2c1)c1cc(F)ccc1F ZINC000122311574 494956607 /nfs/dbraw/zinc/95/66/07/494956607.db2.gz SZTAIYFKBMQKTP-OAHLLOKOSA-N -1 3 367.377 3.239 20 0 FGADHM COC(=O)CCCCCNC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000110222644 494959053 /nfs/dbraw/zinc/95/90/53/494959053.db2.gz RVJQICJCFQKKCX-UHFFFAOYSA-N -1 3 355.434 3.446 20 0 FGADHM CCCOc1ccc([N-]S(=O)(=O)c2ccc(N(C)C(C)=O)cc2)cc1 ZINC000133047049 494960629 /nfs/dbraw/zinc/96/06/29/494960629.db2.gz BOSWRCOEVCSEOV-UHFFFAOYSA-N -1 3 362.451 3.259 20 0 FGADHM COC[C@@H](NC(=O)c1ccc(O)cc1[O-])c1cccc(C(F)(F)F)c1 ZINC000118241660 494986021 /nfs/dbraw/zinc/98/60/21/494986021.db2.gz ZFQCNHDHYIFMCT-CQSZACIVSA-N -1 3 355.312 3.234 20 0 FGADHM Cc1cnccc1[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000577568468 505754435 /nfs/dbraw/zinc/75/44/35/505754435.db2.gz VOQFHPXJTHZHSA-UHFFFAOYSA-N -1 3 361.648 3.029 20 0 FGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)[C@H]1C[C@@H]1c1cccc2ccccc21 ZINC000110786226 495010126 /nfs/dbraw/zinc/01/01/26/495010126.db2.gz 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COc1ccc(C(=O)N2Cc3ccccc3C[C@H]2c2nnc(C)o2)c([O-])c1 ZINC000122835987 495038523 /nfs/dbraw/zinc/03/85/23/495038523.db2.gz DFUKMKUWGHXJQY-KRWDZBQOSA-N -1 3 365.389 3.032 20 0 FGADHM Cn1cc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc(Cl)c1=O ZINC000118944927 495054600 /nfs/dbraw/zinc/05/46/00/495054600.db2.gz YVTKIFMBRGWFKE-UHFFFAOYSA-N -1 3 367.641 3.146 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)NCc2coc(-c3ccc(C)cc3)n2)c1 ZINC000122985194 495063834 /nfs/dbraw/zinc/06/38/34/495063834.db2.gz JMROPIZCWOJAOG-UHFFFAOYSA-N -1 3 365.389 3.244 20 0 FGADHM Cn1ccnc1-c1csc([N-]C(=O)c2cc(-c3ccccc3)no2)n1 ZINC000119020919 495071910 /nfs/dbraw/zinc/07/19/10/495071910.db2.gz OKZXWRIOKXGWFK-UHFFFAOYSA-N -1 3 351.391 3.451 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1)c1noc(-c2ccccc2)n1 ZINC000128322345 495079586 /nfs/dbraw/zinc/07/95/86/495079586.db2.gz QYCPUAAYYNTLDG-SNVBAGLBSA-N -1 3 365.361 3.054 20 0 FGADHM CC(C)COC[C@@H]([N-]S(=O)(=O)CCc1ccccc1)c1ccco1 ZINC000101576921 495081153 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Cc1ccc(NC(=O)N2CCN(C(=O)c3cccc([O-])c3)CC2)c(Cl)c1 ZINC000101736280 495094160 /nfs/dbraw/zinc/09/41/60/495094160.db2.gz DJUSTAVNQLLETE-UHFFFAOYSA-N -1 3 373.840 3.344 20 0 FGADHM CN(Cc1cc(Cl)cc(Cl)c1)C(=O)c1cnc2c(cnn2C)c1[O-] ZINC000119162035 495108089 /nfs/dbraw/zinc/10/80/89/495108089.db2.gz GGFUWZUBTUAZIQ-UHFFFAOYSA-N -1 3 365.220 3.253 20 0 FGADHM O=S(=O)([N-]CCc1c[nH]c2ccc(F)cc12)c1ccc(F)c(F)c1 ZINC000123322086 495114591 /nfs/dbraw/zinc/11/45/91/495114591.db2.gz GFMFISGFAYOHKP-UHFFFAOYSA-N -1 3 354.353 3.106 20 0 FGADHM CC(C)N(CC(F)F)C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000123396471 495126254 /nfs/dbraw/zinc/12/62/54/495126254.db2.gz GBGPNGZJQHASJV-UHFFFAOYSA-N -1 3 373.197 3.406 20 0 FGADHM COc1cccc([C@H](CNC(=O)c2c([O-])cccc2F)N2CCCC2)c1 ZINC000119283886 495133890 /nfs/dbraw/zinc/13/38/90/495133890.db2.gz VDXPOPZGIXDGED-KRWDZBQOSA-N -1 3 358.413 3.107 20 0 FGADHM COc1ccc(CCCCC(=O)Nc2cc(-c3nccn3C)[n-]n2)cc1 ZINC000119309285 495138839 /nfs/dbraw/zinc/13/88/39/495138839.db2.gz 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495156926 /nfs/dbraw/zinc/15/69/26/495156926.db2.gz WVSXDCKXQVCDSV-INIZCTEOSA-N -1 3 352.394 3.273 20 0 FGADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(F)ccc2Cl)c(C)c1 ZINC000102748640 495158399 /nfs/dbraw/zinc/15/83/99/495158399.db2.gz NNWXEHAMTFQLHW-UHFFFAOYSA-N -1 3 357.790 3.375 20 0 FGADHM CNC(=O)c1sc2[n-]c(Cc3ccc(F)cc3Cl)nc(=O)c2c1C ZINC000102793344 495162104 /nfs/dbraw/zinc/16/21/04/495162104.db2.gz VXVGHWJXHYXPHQ-UHFFFAOYSA-N -1 3 365.817 3.036 20 0 FGADHM CC(C)CCNC(=O)c1sccc1S(=O)(=O)[N-]Cc1cccs1 ZINC000123778402 495184282 /nfs/dbraw/zinc/18/42/82/495184282.db2.gz UKMKQXRFPPMOGN-UHFFFAOYSA-N -1 3 372.537 3.064 20 0 FGADHM Cc1cccc(C(=O)N2CCN(c3ccnc(-c4ccccc4)n3)CC2)c1[O-] ZINC000112393792 495184450 /nfs/dbraw/zinc/18/44/50/495184450.db2.gz RYRLSFZIRWTRBI-UHFFFAOYSA-N -1 3 374.444 3.120 20 0 FGADHM Cc1n[nH]c(C)c1CN1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000119538997 495185950 /nfs/dbraw/zinc/18/59/50/495185950.db2.gz UKERIHNWFFLALA-UHFFFAOYSA-N -1 3 362.861 3.236 20 0 FGADHM CCc1ccc(C(C)(C)C(=O)NCCCNC(=O)c2cccc([O-])c2)cc1 ZINC000129113578 495197752 /nfs/dbraw/zinc/19/77/52/495197752.db2.gz DGCJCRLFVPFEKT-UHFFFAOYSA-N -1 3 368.477 3.169 20 0 FGADHM Cc1cc(OCC(=O)Nc2cc(-c3nccn3C)[n-]n2)ccc1C(C)C ZINC000119605904 495200412 /nfs/dbraw/zinc/20/04/12/495200412.db2.gz QGJOVMGSBSTKNC-UHFFFAOYSA-N -1 3 353.426 3.260 20 0 FGADHM Cc1cc(OCC(=O)Nc2cc(-c3nccn3C)n[n-]2)ccc1C(C)C ZINC000119605904 495200415 /nfs/dbraw/zinc/20/04/15/495200415.db2.gz QGJOVMGSBSTKNC-UHFFFAOYSA-N -1 3 353.426 3.260 20 0 FGADHM O=S(=O)([N-]CCCOC1CCCC1)c1ccc(F)cc1C(F)(F)F ZINC000103158442 495200564 /nfs/dbraw/zinc/20/05/64/495200564.db2.gz VCWJMHCGFNUNDP-UHFFFAOYSA-N -1 3 369.380 3.472 20 0 FGADHM Cc1c(C(=O)Nc2cccc([O-])c2F)nnn1-c1ccc(F)c(Cl)c1 ZINC000129140541 495202294 /nfs/dbraw/zinc/20/22/94/495202294.db2.gz JVOIFRNVEMHITR-UHFFFAOYSA-N -1 3 364.739 3.465 20 0 FGADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)CO[C@H]3CCC[C@@H](C)C3)cc2)n1 ZINC000112576266 495208352 /nfs/dbraw/zinc/20/83/52/495208352.db2.gz 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495251415 /nfs/dbraw/zinc/25/14/15/495251415.db2.gz NWFUZICJPUXMLJ-YFKPBYRVSA-N -1 3 352.675 3.022 20 0 FGADHM O=S(=O)([N-]C[C@@H]1CCCN(Cc2cccs2)C1)c1cccs1 ZINC000119970977 495280197 /nfs/dbraw/zinc/28/01/97/495280197.db2.gz HCCHBMMOLLWNAM-ZDUSSCGKSA-N -1 3 356.538 3.000 20 0 FGADHM Cc1nc(C)c(CC(=O)N[C@H](c2ccc(Cl)cc2)C2CCC2)c(=O)[n-]1 ZINC000104462910 495285076 /nfs/dbraw/zinc/28/50/76/495285076.db2.gz ZCXIRTKQPKDKND-SFHVURJKSA-N -1 3 359.857 3.240 20 0 FGADHM COc1ccc(C(=O)N2CCN(c3ccc(F)cc3Cl)CC2)c([O-])c1 ZINC000129765488 495292983 /nfs/dbraw/zinc/29/29/83/495292983.db2.gz OTFHWIPHTVWFHA-UHFFFAOYSA-N -1 3 364.804 3.156 20 0 FGADHM CCC(C)(CC)[N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F ZINC000113294231 495294071 /nfs/dbraw/zinc/29/40/71/495294071.db2.gz MGMFBKITUNQOCH-UHFFFAOYSA-N -1 3 350.843 3.295 20 0 FGADHM Cc1ncsc1C[N-]S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000104745271 495302938 /nfs/dbraw/zinc/30/29/38/495302938.db2.gz KXSSEYBLBHXFMP-UHFFFAOYSA-N -1 3 354.350 3.088 20 0 FGADHM 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495893152 /nfs/dbraw/zinc/89/31/52/495893152.db2.gz VQHJXMSSPFOIHC-UHFFFAOYSA-N -1 3 374.847 3.150 20 0 FGADHM Cc1cc(C(=O)NCc2ccc([O-])c(Br)c2)nn1C(C)(C)C ZINC000151624736 495897248 /nfs/dbraw/zinc/89/72/48/495897248.db2.gz VRSZLMSGZRPZRG-UHFFFAOYSA-N -1 3 366.259 3.345 20 0 FGADHM C[C@H]1C[C@H](C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)CC(C)(C)C1 ZINC000183247078 495897235 /nfs/dbraw/zinc/89/72/35/495897235.db2.gz GLPHBZLXCVTXGD-HOTGVXAUSA-N -1 3 358.482 3.139 20 0 FGADHM C[C@@H]1CCC[C@H](OCC(=O)NCc2ccc([O-])c(Br)c2)C1 ZINC000151627951 495898577 /nfs/dbraw/zinc/89/85/77/495898577.db2.gz FADRZMBFFHINEZ-YPMHNXCESA-N -1 3 356.260 3.366 20 0 FGADHM Cc1ccc(C[C@H](C)C(=O)Nc2ccc(F)c([N-]S(C)(=O)=O)c2)cc1 ZINC000180197371 495902517 /nfs/dbraw/zinc/90/25/17/495902517.db2.gz SGRZEXRXYDODGE-ZDUSSCGKSA-N -1 3 364.442 3.323 20 0 FGADHM O=c1cc(C(F)(F)F)nc(C[S@@](=O)Cc2ccc(Cl)cc2)[n-]1 ZINC000155278813 495902567 /nfs/dbraw/zinc/90/25/67/495902567.db2.gz VYAZGUZVVLUVOQ-JOCHJYFZSA-N -1 3 350.749 3.303 20 0 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CC(C)Cc1csc2[n-]c(CC(=O)N(C)c3ccccc3)nc(=O)c12 ZINC000171856497 496065989 /nfs/dbraw/zinc/06/59/89/496065989.db2.gz QZBOBGHSIMJWIE-UHFFFAOYSA-N -1 3 355.463 3.389 20 0 FGADHM COc1cc(C(=O)NCCc2cn(C)c3cc(F)ccc23)cc(OC)c1[O-] ZINC000186601858 496067275 /nfs/dbraw/zinc/06/72/75/496067275.db2.gz ZQXSJNCEVBXBKY-UHFFFAOYSA-N -1 3 372.396 3.013 20 0 FGADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@H](C)CC1CC1 ZINC000183661769 496068235 /nfs/dbraw/zinc/06/82/35/496068235.db2.gz QUGWAOUUHMROPA-MRVPVSSYSA-N -1 3 366.252 3.064 20 0 FGADHM COc1ccc(C(=O)[N-]c2nnc(C(C)C)s2)nc1Br ZINC000180611100 496068398 /nfs/dbraw/zinc/06/83/98/496068398.db2.gz JWUMBKGRQAQKTA-UHFFFAOYSA-N -1 3 357.233 3.080 20 0 FGADHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N(C)C1CCCCCC1 ZINC000174707752 496071692 /nfs/dbraw/zinc/07/16/92/496071692.db2.gz NMIJTDKKZIHGIH-UHFFFAOYSA-N -1 3 366.483 3.353 20 0 FGADHM CN(C(=O)Nc1ccc(C[C@@H]2NC(=O)[N-]C2=O)cc1)C1CCCCCCC1 ZINC000180665981 496095675 /nfs/dbraw/zinc/09/56/75/496095675.db2.gz 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CCc1nn(C)c(Cl)c1C(=O)[N-]c1nc(Cc2ccccc2)ns1 ZINC000156064630 496147578 /nfs/dbraw/zinc/14/75/78/496147578.db2.gz RCGWKOKZEXKLRE-UHFFFAOYSA-N -1 3 361.858 3.331 20 0 FGADHM CSc1ccc(N2C[C@H](C(=O)Nc3cc(F)ccc3[O-])CC2=O)cc1 ZINC000174895981 496154025 /nfs/dbraw/zinc/15/40/25/496154025.db2.gz FXXMVVNQRDJSBL-LLVKDONJSA-N -1 3 360.410 3.245 20 0 FGADHM O=C([O-])c1ccccc1OCCN1CCC(C(=O)Nc2ccccc2)CC1 ZINC000183911755 496157248 /nfs/dbraw/zinc/15/72/48/496157248.db2.gz HZBLTLUXQZCDEB-UHFFFAOYSA-N -1 3 368.433 3.114 20 0 FGADHM Cc1ccccc1CS(=O)(=O)[N-]c1ccc(-c2nnc(N(C)C)o2)cc1 ZINC000180820316 496158898 /nfs/dbraw/zinc/15/88/98/496158898.db2.gz AGXOHEFUTWJFEZ-UHFFFAOYSA-N -1 3 372.450 3.053 20 0 FGADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cnc(C)nc3C(C)C)cc2)n1 ZINC000172105890 496166309 /nfs/dbraw/zinc/16/63/09/496166309.db2.gz DDFMHBLNRYMTKV-UHFFFAOYSA-N -1 3 363.421 3.219 20 0 FGADHM CC(C)(C)C1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])CC1 ZINC000172131369 496178595 /nfs/dbraw/zinc/17/85/95/496178595.db2.gz 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496208485 /nfs/dbraw/zinc/20/84/85/496208485.db2.gz MNMALAOPMHOQHM-UHFFFAOYSA-N -1 3 360.370 3.101 20 0 FGADHM C[C@H](CCC1CCCCC1)NC(=O)c1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000177860908 496228065 /nfs/dbraw/zinc/22/80/65/496228065.db2.gz VLHOOGOHBIPYGM-SZNDQCEHSA-N -1 3 371.481 3.220 20 0 FGADHM O=C(NCCC1=CCCCCC1)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000184087879 496232344 /nfs/dbraw/zinc/23/23/44/496232344.db2.gz HMYUWQQDACXVDH-UHFFFAOYSA-N -1 3 371.481 3.140 20 0 FGADHM COC(=O)c1nccc2c1cccc2S(=O)(=O)[N-]c1ccc(C)cc1F ZINC000156395305 496233017 /nfs/dbraw/zinc/23/30/17/496233017.db2.gz YRXUAVRGZVDJML-UHFFFAOYSA-N -1 3 374.393 3.270 20 0 FGADHM C[C@H]1CCCN1C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000184091846 496233742 /nfs/dbraw/zinc/23/37/42/496233742.db2.gz UNNPFEGHABAGKQ-HNAYVOBHSA-N -1 3 352.434 3.264 20 0 FGADHM Cc1ccc([O-])c(C(=O)Nc2ccc(C(=O)N3CCSCC3)cc2C)c1 ZINC000156410621 496237665 /nfs/dbraw/zinc/23/76/65/496237665.db2.gz OEHIQETXLKELEV-UHFFFAOYSA-N -1 3 370.474 3.450 20 0 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Cc1ccc(C(C)(C)CN(C)C(=O)CCc2c(C)nc(C)[n-]c2=O)cc1 ZINC000172774448 496426279 /nfs/dbraw/zinc/42/62/79/496426279.db2.gz ZUSKZZQRFYMERQ-UHFFFAOYSA-N -1 3 355.482 3.064 20 0 FGADHM CC[C@@]([N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1)(C(N)=O)C(C)C ZINC000181530723 496434665 /nfs/dbraw/zinc/43/46/65/496434665.db2.gz FIFALSSMZJCRLJ-HNNXBMFYSA-N -1 3 374.915 3.123 20 0 FGADHM O=C(N[C@H]1CCN(c2ccccc2C(F)(F)F)C1)c1ccc(O)cc1[O-] ZINC000187425695 496435184 /nfs/dbraw/zinc/43/51/84/496435184.db2.gz BRUJLSCMFAJBEA-NSHDSACASA-N -1 3 366.339 3.125 20 0 FGADHM O=S(=O)([N-]Cc1ccn2ccnc2c1)c1ccc(Cl)c(Cl)c1 ZINC000178402901 496441722 /nfs/dbraw/zinc/44/17/22/496441722.db2.gz HBFGBYJZKWGQSG-UHFFFAOYSA-N -1 3 356.234 3.120 20 0 FGADHM Cc1nc(C)c(S(=O)(=O)[N-]c2cc(CN3CCCC3)ccc2C)s1 ZINC000178403100 496442502 /nfs/dbraw/zinc/44/25/02/496442502.db2.gz GMHBVZLZZWOTQT-UHFFFAOYSA-N -1 3 365.524 3.465 20 0 FGADHM Cn1ncnc1[N-]C(=O)c1cc2sc(Nc3ccccc3)nc2s1 ZINC000162968984 496443029 /nfs/dbraw/zinc/44/30/29/496443029.db2.gz 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Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)c1cc(F)cc2[n-]nnc21 ZINC000277738627 496870782 /nfs/dbraw/zinc/87/07/82/496870782.db2.gz QTVXOSPOBOMFIJ-UHFFFAOYSA-N -1 3 369.400 3.044 20 0 FGADHM Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)c1cc(F)cc2nn[n-]c21 ZINC000277738627 496870788 /nfs/dbraw/zinc/87/07/88/496870788.db2.gz QTVXOSPOBOMFIJ-UHFFFAOYSA-N -1 3 369.400 3.044 20 0 FGADHM Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000277738627 496870793 /nfs/dbraw/zinc/87/07/93/496870793.db2.gz QTVXOSPOBOMFIJ-UHFFFAOYSA-N -1 3 369.400 3.044 20 0 FGADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cccnc3C(F)(F)F)cc2)n1 ZINC000188681937 496874456 /nfs/dbraw/zinc/87/44/56/496874456.db2.gz KNNXUZZLMNKOOC-UHFFFAOYSA-N -1 3 374.322 3.411 20 0 FGADHM CC[C@H](C)[C@H]([N-]S(=O)(=O)c1ccc(C)c(NC(C)=O)c1)C(F)(F)F ZINC000277775774 496882948 /nfs/dbraw/zinc/88/29/48/496882948.db2.gz UPLODZVBSBXBIR-XPTSAGLGSA-N -1 3 366.405 3.209 20 0 FGADHM CSc1cc(C(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)ccn1 ZINC000269207376 496894537 /nfs/dbraw/zinc/89/45/37/496894537.db2.gz JNTIHAUDTZTESG-UHFFFAOYSA-N -1 3 371.462 3.000 20 0 FGADHM CC(C)n1c(CCNC(=O)c2cc(F)cc3nn[n-]c32)nc2ccccc21 ZINC000277812264 496897538 /nfs/dbraw/zinc/89/75/38/496897538.db2.gz WKXRSNZFMZPXQF-UHFFFAOYSA-N -1 3 366.400 3.000 20 0 FGADHM CC(C)n1c(CCNC(=O)c2cc(F)cc3[n-]nnc32)nc2ccccc21 ZINC000277812264 496897541 /nfs/dbraw/zinc/89/75/41/496897541.db2.gz WKXRSNZFMZPXQF-UHFFFAOYSA-N -1 3 366.400 3.000 20 0 FGADHM CC(C)n1c(CCNC(=O)c2cc(F)cc3n[n-]nc32)nc2ccccc21 ZINC000277812264 496897546 /nfs/dbraw/zinc/89/75/46/496897546.db2.gz WKXRSNZFMZPXQF-UHFFFAOYSA-N -1 3 366.400 3.000 20 0 FGADHM COc1cc(C(=O)Nc2ccc(C(=O)NC(C)C)c(C)c2)cc(OC)c1[O-] ZINC000273810093 496915946 /nfs/dbraw/zinc/91/59/46/496915946.db2.gz ASUJFCYYSTURIO-UHFFFAOYSA-N -1 3 372.421 3.108 20 0 FGADHM O=S(=O)([N-][C@@H]1COc2ccccc21)c1cc(Br)ccc1F ZINC000195418336 496918621 /nfs/dbraw/zinc/91/86/21/496918621.db2.gz ULEYJUZBFJWLIU-GFCCVEGCSA-N -1 3 372.215 3.000 20 0 FGADHM O=S(=O)(Cc1cc(Cl)ccc1F)[N-][C@H]1COCc2ccccc21 ZINC000580941206 505873498 /nfs/dbraw/zinc/87/34/98/505873498.db2.gz JZLWLLZEIXXINZ-INIZCTEOSA-N -1 3 355.818 3.170 20 0 FGADHM COc1ccc(Br)c([N-]S(=O)(=O)c2ccccc2OC)c1 ZINC000195427079 496920355 /nfs/dbraw/zinc/92/03/55/496920355.db2.gz PHVPNDDLNAOENY-UHFFFAOYSA-N -1 3 372.240 3.267 20 0 FGADHM CC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)s1)c1nnc2n1CCCCC2 ZINC000264545212 496925127 /nfs/dbraw/zinc/92/51/27/496925127.db2.gz NVIJYZJFJLFBRK-SNVBAGLBSA-N -1 3 374.919 3.149 20 0 FGADHM COc1cc(C(=O)N2CCC[C@H]2CC(=O)c2ccccc2)cc(OC)c1[O-] ZINC000273874378 496940458 /nfs/dbraw/zinc/94/04/58/496940458.db2.gz RCKUZGFPNUGGSQ-INIZCTEOSA-N -1 3 369.417 3.287 20 0 FGADHM CCCCc1nc(C(=O)OCC)c(NC(=O)[C@H]2COc3ccccc32)[n-]1 ZINC000191962883 496944328 /nfs/dbraw/zinc/94/43/28/496944328.db2.gz YLMONYIHRXLMRF-ZDUSSCGKSA-N -1 3 357.410 3.044 20 0 FGADHM CCCCc1nc(NC(=O)[C@H]2COc3ccccc32)c(C(=O)OCC)[n-]1 ZINC000191962883 496944333 /nfs/dbraw/zinc/94/43/33/496944333.db2.gz 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C[C@@H]1CN(C(C)(C)CNC(=O)c2cc([O-])ccc2C(F)(F)F)C[C@H](C)O1 ZINC000188947168 496956456 /nfs/dbraw/zinc/95/64/56/496956456.db2.gz MDQGRJJZJQGADX-TXEJJXNPSA-N -1 3 374.403 3.029 20 0 FGADHM CC(C)[C@@H](NC(=O)C(=O)[N-]c1cnns1)c1cccc(C(F)(F)F)c1 ZINC000192008501 496961688 /nfs/dbraw/zinc/96/16/88/496961688.db2.gz DNUGFTLJEWKWBY-GFCCVEGCSA-N -1 3 372.372 3.009 20 0 FGADHM CCc1ccc(C(=O)N2CCC[C@@H](c3nnc4ccccn43)C2)c([O-])c1 ZINC000188979466 496967131 /nfs/dbraw/zinc/96/71/31/496967131.db2.gz FTXAZANZNLJHCQ-OAHLLOKOSA-N -1 3 350.422 3.017 20 0 FGADHM O=c1[nH]c(CC(F)(F)F)c([O-])n1-c1ccc2c(c1)OC1(CCCC1)O2 ZINC000278044515 496983951 /nfs/dbraw/zinc/98/39/51/496983951.db2.gz LJIRRCZVXIFURX-JTQLQIEISA-N -1 3 356.300 3.105 20 0 FGADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@@H]3CCc4cccc(O)c43)cc2)n1 ZINC000574894801 505877606 /nfs/dbraw/zinc/87/76/06/505877606.db2.gz NCVPSGZCMYNJOX-MRXNPFEDSA-N -1 3 361.401 3.119 20 0 FGADHM C[C@H](C(=O)N1CCc2nc[n-]c(=O)c2C1)c1ccc(Cl)c(Cl)c1 ZINC000269718679 496993578 /nfs/dbraw/zinc/99/35/78/496993578.db2.gz RGAJOEWXHOPHIA-VIFPVBQESA-N -1 3 352.221 3.177 20 0 FGADHM CN(CC(=O)Nc1ccccc1)C(=O)c1cc([O-])ccc1C(F)(F)F ZINC000189069778 496998254 /nfs/dbraw/zinc/99/82/54/496998254.db2.gz JBLLBHAVMUMBEC-UHFFFAOYSA-N -1 3 352.312 3.122 20 0 FGADHM COc1cc(C)cc(-c2nc(COCC(F)(F)C(F)F)no2)c1[O-] ZINC000278119238 497011145 /nfs/dbraw/zinc/01/11/45/497011145.db2.gz FUBZYJBJOGOORB-UHFFFAOYSA-N -1 3 350.268 3.176 20 0 FGADHM Cc1noc(C)c1[C@@H](C)CC(=O)Nc1nnc(-c2c(F)cccc2F)[n-]1 ZINC000269920281 497024502 /nfs/dbraw/zinc/02/45/02/497024502.db2.gz IGDRYRQGNJLRJD-QMMMGPOBSA-N -1 3 361.352 3.487 20 0 FGADHM Cc1noc(C)c1[C@@H](C)CC(=O)Nc1nc(-c2c(F)cccc2F)n[n-]1 ZINC000269920281 497024507 /nfs/dbraw/zinc/02/45/07/497024507.db2.gz IGDRYRQGNJLRJD-QMMMGPOBSA-N -1 3 361.352 3.487 20 0 FGADHM Cc1noc(C)c1[C@@H](C)CC(=O)Nc1n[n-]c(-c2c(F)cccc2F)n1 ZINC000269920281 497024510 /nfs/dbraw/zinc/02/45/10/497024510.db2.gz IGDRYRQGNJLRJD-QMMMGPOBSA-N -1 3 361.352 3.487 20 0 FGADHM COc1cc(C(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)cc(OC)c1[O-] ZINC000269919393 497024671 /nfs/dbraw/zinc/02/46/71/497024671.db2.gz IQUSBNYYHBWQJT-INIZCTEOSA-N -1 3 373.405 3.220 20 0 FGADHM CC(C)OCCC[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000192184678 497025777 /nfs/dbraw/zinc/02/57/77/497025777.db2.gz YQMONXDFUFGUIR-UHFFFAOYSA-N -1 3 370.696 3.196 20 0 FGADHM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1CC(=O)Nc1ccccc1C(F)(F)F ZINC000248559695 497039720 /nfs/dbraw/zinc/03/97/20/497039720.db2.gz MUABQPPISDOKOP-GLQYFDAESA-N -1 3 370.371 3.362 20 0 FGADHM Cc1ccc([C@@](O)(Cc2noc(-c3ccccc3[O-])n2)C(F)(F)F)o1 ZINC000274246940 497051761 /nfs/dbraw/zinc/05/17/61/497051761.db2.gz VJJPWDQCOAJTAA-HNNXBMFYSA-N -1 3 354.284 3.336 20 0 FGADHM CCCS(=O)(=O)Cc1noc(-c2cc(Cc3ccccc3)ccc2[O-])n1 ZINC000278288971 497063761 /nfs/dbraw/zinc/06/37/61/497063761.db2.gz WSCRYAJNNGNTIG-UHFFFAOYSA-N -1 3 372.446 3.358 20 0 FGADHM CC1(C)C[C@H]1C[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000226236996 497081936 /nfs/dbraw/zinc/08/19/36/497081936.db2.gz 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CCc1cc2c(CN3CCC[C@@H]3c3nc(C)no3)cc(=O)oc2cc1[O-] ZINC000285887276 498230316 /nfs/dbraw/zinc/23/03/16/498230316.db2.gz ZVESEKDCDSVSNY-OAHLLOKOSA-N -1 3 355.394 3.090 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]CCC[C@H]2CCCC[C@H]2O)sc1Cl ZINC000331023515 498237900 /nfs/dbraw/zinc/23/79/00/498237900.db2.gz MEHJIYKDQOUFPG-VXGBXAGGSA-N -1 3 351.921 3.320 20 0 FGADHM Cc1ccc(NC(=O)c2c([O-])cccc2O)cc1I ZINC000301720172 498238045 /nfs/dbraw/zinc/23/80/45/498238045.db2.gz VTDJOGAPPFWKIX-UHFFFAOYSA-N -1 3 369.158 3.263 20 0 FGADHM CCOc1cc(CN2CCC[C@]2(CC)CO)cc(Br)c1[O-] ZINC000331129745 498258926 /nfs/dbraw/zinc/25/89/26/498258926.db2.gz OSPCIEURDIKGJS-MRXNPFEDSA-N -1 3 358.276 3.290 20 0 FGADHM O=C(COc1ccc(Br)cc1Cl)[N-]c1nncn1C1CC1 ZINC000286021878 498269802 /nfs/dbraw/zinc/26/98/02/498269802.db2.gz ZQEPCMZJYZUVFH-UHFFFAOYSA-N -1 3 371.622 3.046 20 0 FGADHM C/C(=C\C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)c1ccccc1 ZINC000281803145 498275218 /nfs/dbraw/zinc/27/52/18/498275218.db2.gz TZSPHFLPDMCQOH-ACCUITESSA-N -1 3 354.372 3.007 20 0 FGADHM COc1ccccc1-c1nnc(SCc2cc(=O)[n-]c(C3CC3)n2)n1C ZINC000572609867 506010563 /nfs/dbraw/zinc/01/05/63/506010563.db2.gz XQBHVBINEBKXPL-UHFFFAOYSA-N -1 3 369.450 3.156 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)c1nc2c(s1)CCC2 ZINC000581537427 506010964 /nfs/dbraw/zinc/01/09/64/506010964.db2.gz UUWKXZFSESNDDD-ZETCQYMHSA-N -1 3 362.398 3.089 20 0 FGADHM Cc1nc(C)c(CCC(=O)N2CCC[C@@H]2c2ccc(F)c(F)c2)c(=O)[n-]1 ZINC000365230021 498363534 /nfs/dbraw/zinc/36/35/34/498363534.db2.gz JXPOCORESYUTIJ-QGZVFWFLSA-N -1 3 361.392 3.374 20 0 FGADHM [O-]c1ccc(-c2noc(-c3cn(C4CCOCC4)nn3)n2)c2ccccc12 ZINC000293433033 498383106 /nfs/dbraw/zinc/38/31/06/498383106.db2.gz NWPVTMAIFUBAIK-UHFFFAOYSA-N -1 3 363.377 3.205 20 0 FGADHM C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)N=c2cc(OC(F)F)n(C)[n-]2)C1 ZINC000331591945 498384424 /nfs/dbraw/zinc/38/44/24/498384424.db2.gz UHQSEBHEYMCDIL-GWCFXTLKSA-N -1 3 368.359 3.198 20 0 FGADHM CCN(C(=O)c1[n-]nc2c1cccc2OC)c1ccc(OC)c(OC)c1 ZINC000290002267 498389214 /nfs/dbraw/zinc/38/92/14/498389214.db2.gz VFJUGHNMFPOSLN-UHFFFAOYSA-N -1 3 355.394 3.255 20 0 FGADHM CCN(C(=O)c1n[n-]c2c1cccc2OC)c1ccc(OC)c(OC)c1 ZINC000290002267 498389218 /nfs/dbraw/zinc/38/92/18/498389218.db2.gz VFJUGHNMFPOSLN-UHFFFAOYSA-N -1 3 355.394 3.255 20 0 FGADHM Cc1ccc(C(=O)Nc2cccc(N3C(=O)N[C@H](C)C3=O)c2C)c([O-])c1C ZINC000293454228 498390840 /nfs/dbraw/zinc/39/08/40/498390840.db2.gz PPGFKXIWHLUAHO-CYBMUJFWSA-N -1 3 367.405 3.014 20 0 FGADHM COC(=O)c1ccc(C(=O)Nc2ccc(C(=O)N3CCCC[C@H]3C)cc2)[n-]1 ZINC000293483685 498400263 /nfs/dbraw/zinc/40/02/63/498400263.db2.gz XPVZUISWDKUCNY-CYBMUJFWSA-N -1 3 369.421 3.068 20 0 FGADHM O=C(N[C@@H]1CCO[C@@H](c2ccncc2)C1)c1cc2c(cc1[O-])CCCC2 ZINC000572697192 506031141 /nfs/dbraw/zinc/03/11/41/506031141.db2.gz JEFLIXJICMRRMP-YLJYHZDGSA-N -1 3 352.434 3.316 20 0 FGADHM CCc1cccc(-c2nc(CC(=O)Nc3ccc(OC)cc3)no2)c1[O-] ZINC000578840130 506033102 /nfs/dbraw/zinc/03/31/02/506033102.db2.gz HADPPMSACNATFN-UHFFFAOYSA-N -1 3 353.378 3.194 20 0 FGADHM CCN(C(=O)c1cc(=O)[n-]c(C2CC2)n1)c1cccc(Br)c1 ZINC000569863635 506034226 /nfs/dbraw/zinc/03/42/26/506034226.db2.gz GSSURAHNCZZCGK-UHFFFAOYSA-N -1 3 362.227 3.489 20 0 FGADHM C[C@H](c1nc2ccccc2o1)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000290153854 498445043 /nfs/dbraw/zinc/44/50/43/498445043.db2.gz NVHLCLOKBVZEPU-NEPJUHHUSA-N -1 3 355.360 3.279 20 0 FGADHM C[C@H](NCc1cccc([O-])c1Cl)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000293733999 498472018 /nfs/dbraw/zinc/47/20/18/498472018.db2.gz ZNNJTSAMAWYTDI-LBPRGKRZSA-N -1 3 368.886 3.147 20 0 FGADHM O=C1CCCC(=O)N1Cc1ccc(NCc2c(F)ccc([O-])c2F)cc1 ZINC000293751744 498477986 /nfs/dbraw/zinc/47/79/86/498477986.db2.gz YCKJLCZYOBKMMO-UHFFFAOYSA-N -1 3 360.360 3.322 20 0 FGADHM Cc1nc2c(n1[C@H]1CCN(C(=O)c3c(F)ccc([O-])c3F)C1)CCCC2 ZINC000290259458 498485400 /nfs/dbraw/zinc/48/54/00/498485400.db2.gz WNYZUJPAOPKUIX-LBPRGKRZSA-N -1 3 361.392 3.141 20 0 FGADHM CCc1c(NC(=O)c2[n-]nc3c2cccc3OC)onc1C(F)(F)F ZINC000290314953 498506080 /nfs/dbraw/zinc/50/60/80/498506080.db2.gz CKNBRXRZBVWLFP-UHFFFAOYSA-N -1 3 354.288 3.393 20 0 FGADHM CCc1c(NC(=O)c2n[n-]c3c2cccc3OC)onc1C(F)(F)F ZINC000290314953 498506085 /nfs/dbraw/zinc/50/60/85/498506085.db2.gz CKNBRXRZBVWLFP-UHFFFAOYSA-N -1 3 354.288 3.393 20 0 FGADHM Cc1cc(C)c2nc(C3CC3)cc(C(=O)N3CCc4c(nc[n-]c4=O)C3)c2c1 ZINC000578915412 506050645 /nfs/dbraw/zinc/05/06/45/506050645.db2.gz UVYOWGBUBJJLSO-UHFFFAOYSA-N -1 3 374.444 3.423 20 0 FGADHM C[C@H](Oc1ccccc1C(F)(F)F)C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000589109761 506443459 /nfs/dbraw/zinc/44/34/59/506443459.db2.gz INAXKNOOASFURO-LURJTMIESA-N -1 3 368.237 3.248 20 0 FGADHM C[C@H](Oc1ccccc1C(F)(F)F)C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000589109761 506443466 /nfs/dbraw/zinc/44/34/66/506443466.db2.gz INAXKNOOASFURO-LURJTMIESA-N -1 3 368.237 3.248 20 0 FGADHM Cc1nn(-c2ccc(F)cc2F)c(C)c1CN1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000569927415 506049849 /nfs/dbraw/zinc/04/98/49/506049849.db2.gz UKLZSVZOFKGGDI-NHYWBVRUSA-N -1 3 363.408 3.310 20 0 FGADHM Cc1nn(C)c(-n2ccnc2C)c1C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000332051309 498545041 /nfs/dbraw/zinc/54/50/41/498545041.db2.gz XEZHJGWBOOMQDR-UHFFFAOYSA-N -1 3 367.453 3.478 20 0 FGADHM C[C@H](c1nccn1-c1ccccc1)[S@](=O)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000569945668 506054048 /nfs/dbraw/zinc/05/40/48/506054048.db2.gz GGYFTCUSJLPXML-ZBSNKRKSSA-N -1 3 368.462 3.255 20 0 FGADHM CC(C)c1nccn1C[C@H]1CCCN1C(=O)NCc1ccc([O-])c(F)c1 ZINC000362915448 498578291 /nfs/dbraw/zinc/57/82/91/498578291.db2.gz CNNZPGJOEZHGAG-OAHLLOKOSA-N -1 3 360.433 3.225 20 0 FGADHM CC(=O)c1ccc(C(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)cc1[O-] ZINC000332146713 498578807 /nfs/dbraw/zinc/57/88/07/498578807.db2.gz HTYKPJQQEWRSRY-UHFFFAOYSA-N -1 3 358.419 3.459 20 0 FGADHM CC1(C)CN(C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)[C@@H]1c1cccs1 ZINC000576019358 506057236 /nfs/dbraw/zinc/05/72/36/506057236.db2.gz APEZFAWIWNTVFO-CQSZACIVSA-N -1 3 355.419 3.247 20 0 FGADHM CCn1c(CNC[C@@H](Cc2ccccc2C)C(=O)[O-])nc2ccccc21 ZINC000578951521 506058076 /nfs/dbraw/zinc/05/80/76/506058076.db2.gz VPEPTHPGSPJVJQ-QGZVFWFLSA-N -1 3 351.450 3.398 20 0 FGADHM Cn1ccnc1[C@@H](O)C1CCN(Cc2cc([O-])cc(C(F)(F)F)c2)CC1 ZINC000290549814 498593328 /nfs/dbraw/zinc/59/33/28/498593328.db2.gz WRHDJUZXMLHNAG-INIZCTEOSA-N -1 3 369.387 3.090 20 0 FGADHM CCc1ccc([C@H](CNc2cc(C(C)(C)C)nc(C(=O)[O-])n2)N(C)C)cc1 ZINC000569976984 506060122 /nfs/dbraw/zinc/06/01/22/506060122.db2.gz CXSNTQABAGKKKE-INIZCTEOSA-N -1 3 370.497 3.171 20 0 FGADHM CCOc1cc(CN2CCC[C@H](CNC(=O)C(C)C)C2)cc(Cl)c1[O-] ZINC000297904281 498604425 /nfs/dbraw/zinc/60/44/25/498604425.db2.gz RWHBGKKLWDUHRQ-CQSZACIVSA-N -1 3 368.905 3.429 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C2CC2)C2CCC2)c1 ZINC000581710696 506050804 /nfs/dbraw/zinc/05/08/04/506050804.db2.gz YZPWZGIOWLVSLD-GOSISDBHSA-N -1 3 369.421 3.249 20 0 FGADHM C[C@@H](c1nccs1)N1CCN(C(=O)c2cc([O-])ccc2Cl)CC1 ZINC000290619684 498621427 /nfs/dbraw/zinc/62/14/27/498621427.db2.gz CEDQAQSDQKKPST-NSHDSACASA-N -1 3 351.859 3.021 20 0 FGADHM CN(C(=O)c1cc(=O)[n-]c(C2CC2)n1)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000576051846 506064488 /nfs/dbraw/zinc/06/44/88/506064488.db2.gz UHXUUSVTUCMFBI-DLBZAZTESA-N -1 3 367.449 3.378 20 0 FGADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCO[C@@H](c2ccccc2Cl)C1 ZINC000363069332 498633559 /nfs/dbraw/zinc/63/35/59/498633559.db2.gz HJAZBHIKTUDNKW-LJQANCHMSA-N -1 3 368.820 3.395 20 0 FGADHM Cc1nc([C@@H]2CCCN(S(=O)(=O)c3ccc([O-])cc3)C2)sc1C ZINC000332287340 498634362 /nfs/dbraw/zinc/63/43/62/498634362.db2.gz IUOZRKNZJUZVIV-CYBMUJFWSA-N -1 3 352.481 3.034 20 0 FGADHM Cc1ccc(CN2CCC[C@H](c3n[n-]c(=O)o3)C2)cc1Br ZINC000332311271 498645442 /nfs/dbraw/zinc/64/54/42/498645442.db2.gz LZQCXMGRCOODJJ-LBPRGKRZSA-N -1 3 352.232 3.226 20 0 FGADHM [O-]c1cccc(CNC[C@@H](c2cccs2)N2CCOCC2)c1Cl ZINC000294326212 498657793 /nfs/dbraw/zinc/65/77/93/498657793.db2.gz YEYQMSBAGKJXEP-AWEZNQCLSA-N -1 3 352.887 3.270 20 0 FGADHM O=C(N[C@H]1CCO[C@@H](c2ccncc2)C1)c1ccc2c(c1[O-])CCCC2 ZINC000570021186 506070502 /nfs/dbraw/zinc/07/05/02/506070502.db2.gz UIAYHQHGGJEDKD-QFBILLFUSA-N -1 3 352.434 3.316 20 0 FGADHM Cc1c([C@H]2CCCN2Cc2cc(=O)oc3c(C)c([O-])ccc23)cnn1C ZINC000363151913 498676222 /nfs/dbraw/zinc/67/62/22/498676222.db2.gz NYCGJGJFKRFYKV-QGZVFWFLSA-N -1 3 353.422 3.186 20 0 FGADHM CCOc1cc(CN2C[C@]3(CCOC3)OC(C)(C)C2)cc(Cl)c1[O-] ZINC000298197152 498692640 /nfs/dbraw/zinc/69/26/40/498692640.db2.gz XOQNAWSJBGAQRA-SFHVURJKSA-N -1 3 355.862 3.214 20 0 FGADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCC(OCC2CCCC2)CC1 ZINC000365911778 498695748 /nfs/dbraw/zinc/69/57/48/498695748.db2.gz DPFUVZMAWGJFHR-UHFFFAOYSA-N -1 3 354.450 3.340 20 0 FGADHM C[C@@H]1CN(c2ccc(C(=O)Nc3ccc(Cl)cc3[O-])cn2)C[C@@H](C)O1 ZINC000332510254 498706956 /nfs/dbraw/zinc/70/69/56/498706956.db2.gz JNTZGTOOUYGCNP-VXGBXAGGSA-N -1 3 361.829 3.307 20 0 FGADHM CC[C@@H](CC(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)C(C)C ZINC000303876583 498723947 /nfs/dbraw/zinc/72/39/47/498723947.db2.gz QUVVOSKUTXZQSI-LBPRGKRZSA-N -1 3 356.463 3.277 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)N1CCC2(CC1)OCc1ccccc12 ZINC000366045640 498747473 /nfs/dbraw/zinc/74/74/73/498747473.db2.gz UVRCRHVBMQPBQG-UHFFFAOYSA-N -1 3 356.397 3.262 20 0 FGADHM CC(C)OCCC[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000311996585 498757009 /nfs/dbraw/zinc/75/70/09/498757009.db2.gz WXTNNDMGPGKAFD-UHFFFAOYSA-N -1 3 370.696 3.196 20 0 FGADHM CC[C@H](O)[C@H](CC)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000313101924 498766455 /nfs/dbraw/zinc/76/64/55/498766455.db2.gz VBHZEQMFCUDUMP-QWRGUYRKSA-N -1 3 359.797 3.187 20 0 FGADHM Cc1cccc(S(=O)(=O)[N-]Cc2ccc(Br)s2)c1F ZINC000313241204 498767288 /nfs/dbraw/zinc/76/72/88/498767288.db2.gz VMXPTXKTAYPTNF-UHFFFAOYSA-N -1 3 364.261 3.437 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC[C@@H]3c3cn(C)nc3C)nc2)n1 ZINC000366091089 498770505 /nfs/dbraw/zinc/77/05/05/498770505.db2.gz FJYUIMXZPSJZOK-QGZVFWFLSA-N -1 3 364.453 3.190 20 0 FGADHM COc1ccc(CN2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)[O-])c(Br)c1 ZINC000313746893 498771400 /nfs/dbraw/zinc/77/14/00/498771400.db2.gz POKWHKCGTPMYON-PSOPSSQASA-N -1 3 354.244 3.143 20 0 FGADHM Cc1ncsc1C(=O)[N-]c1n[nH]c(-c2cccc(OC(F)F)c2)n1 ZINC000363363725 498780319 /nfs/dbraw/zinc/78/03/19/498780319.db2.gz CXIXIOFEGWCXRR-UHFFFAOYSA-N -1 3 351.338 3.090 20 0 FGADHM C[C@@H]1[C@H](O)CCCN1Cc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000298499698 498792415 /nfs/dbraw/zinc/79/24/15/498792415.db2.gz UOSSPVWHPHSYNU-IUODEOHRSA-N -1 3 355.463 3.409 20 0 FGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H]1c2ccc(F)cc2O[C@H]1C ZINC000366173479 498807848 /nfs/dbraw/zinc/80/78/48/498807848.db2.gz UKNOSBOTFGRTLP-BONVTDFDSA-N -1 3 359.401 3.179 20 0 FGADHM [O-]C(=NOC[C@@H]1CCOC1)Nc1ccc(Cl)cc1OCC(F)F ZINC000287603892 498811018 /nfs/dbraw/zinc/81/10/18/498811018.db2.gz NMQFFMXXHDCAQF-SECBINFHSA-N -1 3 350.749 3.074 20 0 FGADHM O=C([N-]OC[C@@H]1CCOC1)Nc1ccc(Cl)cc1OCC(F)F ZINC000287603892 498811026 /nfs/dbraw/zinc/81/10/26/498811026.db2.gz NMQFFMXXHDCAQF-SECBINFHSA-N -1 3 350.749 3.074 20 0 FGADHM CC[C@H](NC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1)c1ccccc1 ZINC000291147412 498816401 /nfs/dbraw/zinc/81/64/01/498816401.db2.gz DVDVLKNJWCCCKG-ZFWWWQNUSA-N -1 3 371.403 3.238 20 0 FGADHM CC(C)(C)[C@@H](O)C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000324543132 498828887 /nfs/dbraw/zinc/82/88/87/498828887.db2.gz UCFDBAHUAGJMRW-NSHDSACASA-N -1 3 359.797 3.044 20 0 FGADHM CCCS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc3c(c2)CCC3=O)cc1 ZINC000570135012 506098189 /nfs/dbraw/zinc/09/81/89/506098189.db2.gz WIWGHQJZNLWZND-UHFFFAOYSA-N -1 3 372.446 3.220 20 0 FGADHM O=C(NCCc1c(Cl)cccc1Cl)c1cc(=O)[n-]c(C2CC2)n1 ZINC000573017846 506099533 /nfs/dbraw/zinc/09/95/33/506099533.db2.gz RTYLGVSBTHBCHO-UHFFFAOYSA-N -1 3 352.221 3.339 20 0 FGADHM COC(=O)c1cc(Cl)c([N-]S(=O)(=O)c2ccccc2C)cc1OC ZINC000581957460 506100586 /nfs/dbraw/zinc/10/05/86/506100586.db2.gz JKCGRVXZTGYMBT-UHFFFAOYSA-N -1 3 369.826 3.244 20 0 FGADHM CCCc1noc2nc(C3CC3)cc(-c3nc(-c4cc(=O)[n-]cn4)no3)c12 ZINC000576226435 506106994 /nfs/dbraw/zinc/10/69/94/506106994.db2.gz FEPMNQRAEGDJNS-UHFFFAOYSA-N -1 3 364.365 3.265 20 0 FGADHM Cc1cccc2c(=O)c(C(=O)N[C@H]3CCOC4(CCSCC4)C3)c[n-]c12 ZINC000332980088 498856670 /nfs/dbraw/zinc/85/66/70/498856670.db2.gz RYPOUEAXWUNXGP-AWEZNQCLSA-N -1 3 372.490 3.011 20 0 FGADHM CC1([C@H]2CCCN(C(=O)CCc3ccc4ccccc4c3[O-])C2)OCCO1 ZINC000294947559 498858122 /nfs/dbraw/zinc/85/81/22/498858122.db2.gz MBVAEMFUYNXLCF-SFHVURJKSA-N -1 3 369.461 3.480 20 0 FGADHM Cc1nc(C)c(S(=O)(=O)[N-][C@H]2CCCO[C@@H]2c2ccc(C)cc2)s1 ZINC000332987428 498859212 /nfs/dbraw/zinc/85/92/12/498859212.db2.gz AFZULDOOPDLTCF-JKSUJKDBSA-N -1 3 366.508 3.267 20 0 FGADHM COc1cc([N-]S(=O)(=O)c2c(C)cc(F)cc2C)cc(OC)c1OC ZINC000327869181 498863945 /nfs/dbraw/zinc/86/39/45/498863945.db2.gz YTQAKVNVBRNAJO-UHFFFAOYSA-N -1 3 369.414 3.269 20 0 FGADHM C[C@@H]1CCC[C@]1(O)C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000328232121 498867172 /nfs/dbraw/zinc/86/71/72/498867172.db2.gz DMSGFXIEASJQTQ-RNCFNFMXSA-N -1 3 371.808 3.188 20 0 FGADHM 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CC(=O)c1ccc(C(=O)N(C)[C@H](C)c2ccc([S@](C)=O)cc2)cc1[O-] ZINC000412155342 499828524 /nfs/dbraw/zinc/82/85/24/499828524.db2.gz BXKZBYZLPAYULC-YDBLSZJJSA-N -1 3 359.447 3.165 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)c2[nH]ccc2C2CC2)c1-c1ccc2c(c1)OCCO2 ZINC000412196806 499832831 /nfs/dbraw/zinc/83/28/31/499832831.db2.gz KYUWOHGJNDGMDC-UHFFFAOYSA-N -1 3 364.405 3.036 20 0 FGADHM Cc1cc(C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)cc(C(=O)OC(C)(C)C)c1 ZINC000412302682 499842949 /nfs/dbraw/zinc/84/29/49/499842949.db2.gz WPWGHAHATYHRAG-INIZCTEOSA-N -1 3 371.437 3.199 20 0 FGADHM COC(=O)c1ccc([O-])c(NC(=O)c2cccc(CN3CCCCC3)c2)c1 ZINC000412323334 499844861 /nfs/dbraw/zinc/84/48/61/499844861.db2.gz WJQIRCFKUFRIQW-UHFFFAOYSA-N -1 3 368.433 3.417 20 0 FGADHM CC[C@H](NC(=O)c1ccc(C(C)=O)c([O-])c1)c1ccc(OC)c(OC)c1 ZINC000412337328 499846059 /nfs/dbraw/zinc/84/60/59/499846059.db2.gz QBZKSVPDGKHUDF-INIZCTEOSA-N -1 3 357.406 3.493 20 0 FGADHM CC(=O)c1ncc(C(=O)[N-]c2cc(C(=O)NC(C)C)ccc2Cl)s1 ZINC000414943188 499847266 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FGADHM CO[C@H](Cc1ccccc1)CS(=O)(=O)[N-]c1cccc(OC(C)C)c1 ZINC000421147618 499971704 /nfs/dbraw/zinc/97/17/04/499971704.db2.gz FASMJYRSTHJUSO-LJQANCHMSA-N -1 3 363.479 3.473 20 0 FGADHM COCCn1ccc2ccc([N-]S(=O)(=O)C[C@@H](CC(C)C)OC)cc21 ZINC000421162152 499978123 /nfs/dbraw/zinc/97/81/23/499978123.db2.gz YTSXIMBKQMMZNU-QGZVFWFLSA-N -1 3 368.499 3.091 20 0 FGADHM CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1cccc(NCC(F)(F)F)c1 ZINC000421166928 499979255 /nfs/dbraw/zinc/97/92/55/499979255.db2.gz RPNGBEROVBUCSL-AWEZNQCLSA-N -1 3 368.421 3.464 20 0 FGADHM CCCN(CCN1CCCC1)C(=O)c1cc(F)cc(Br)c1[O-] ZINC000416236889 499990478 /nfs/dbraw/zinc/99/04/78/499990478.db2.gz AMIATIUICGANLP-UHFFFAOYSA-N -1 3 373.266 3.242 20 0 FGADHM CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1ccc(Cl)c(CN(C)C)c1 ZINC000421254470 500003582 /nfs/dbraw/zinc/00/35/82/500003582.db2.gz ZQZCGVQYMAFTAT-HNNXBMFYSA-N -1 3 362.923 3.204 20 0 FGADHM CC(C)(CNC(=O)CCc1ccc2ccccc2c1[O-])C1(O)CCOCC1 ZINC000416323945 500014957 /nfs/dbraw/zinc/01/49/57/500014957.db2.gz VUKLBPZELYRTJM-UHFFFAOYSA-N -1 3 371.477 3.162 20 0 FGADHM C[C@H]1CCCc2nc(S(=O)(=O)[N-][C@@H](c3ccco3)c3ccccc3)cn21 ZINC000416367814 500029351 /nfs/dbraw/zinc/02/93/51/500029351.db2.gz DKDKODZHPUIWRS-IFXJQAMLSA-N -1 3 371.462 3.441 20 0 FGADHM Cc1cnc([C@H]([N-]S(=O)(=O)CCOCC2CCCC2)C2CC2)s1 ZINC000416407163 500037499 /nfs/dbraw/zinc/03/74/99/500037499.db2.gz IPPXZSCGYGVCIU-OAHLLOKOSA-N -1 3 358.529 3.029 20 0 FGADHM COC(=O)c1c(Cl)cccc1S(=O)(=O)[N-][C@H]1CC12CCCCC2 ZINC000416458135 500046027 /nfs/dbraw/zinc/04/60/27/500046027.db2.gz YSLWUFLTCRXYQC-ZDUSSCGKSA-N -1 3 357.859 3.128 20 0 FGADHM O=S(=O)([N-]CCC1CC(F)(F)C1)c1ccc(Br)s1 ZINC000416503428 500054040 /nfs/dbraw/zinc/05/40/40/500054040.db2.gz VPGGUCGKHLTSMR-UHFFFAOYSA-N -1 3 360.245 3.224 20 0 FGADHM COc1cc(OC)c(S(=O)(=O)[N-]C[C@@H]2CCC(F)(F)C2)cc1Cl ZINC000416525798 500056096 /nfs/dbraw/zinc/05/60/96/500056096.db2.gz NOFBUAYNEFUODI-SECBINFHSA-N -1 3 369.817 3.071 20 0 FGADHM C[C@H]1CC[C@H](C[N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)O1 ZINC000416537583 500058207 /nfs/dbraw/zinc/05/82/07/500058207.db2.gz UDROHHHVYRGFAB-WCBMZHEXSA-N -1 3 357.781 3.205 20 0 FGADHM COc1cc(Cl)c(S(=O)(=O)[N-]C2CCC(OC)CC2)cc1Cl ZINC000416539342 500058619 /nfs/dbraw/zinc/05/86/19/500058619.db2.gz CYGGZBTVAWRGTJ-UHFFFAOYSA-N -1 3 368.282 3.238 20 0 FGADHM COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)[N-][C@@H]1C[C@]1(C)C(C)C ZINC000416550380 500060740 /nfs/dbraw/zinc/06/07/40/500060740.db2.gz QSJWPRHNRCUYKI-HZPDHXFCSA-N -1 3 374.890 3.020 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)c1ccn(C)n1 ZINC000416563005 500062912 /nfs/dbraw/zinc/06/29/12/500062912.db2.gz QHFZLVIKGQJGAQ-MRVPVSSYSA-N -1 3 367.780 3.132 20 0 FGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]CC[C@@H]2CCCN(C)C2)c1Cl ZINC000416566372 500063835 /nfs/dbraw/zinc/06/38/35/500063835.db2.gz UQXBOJGHIUIXFP-LBPRGKRZSA-N -1 3 365.326 3.312 20 0 FGADHM CCC[C@H]([N-]S(=O)(=O)c1ccc(CNC(C)=O)s1)C1CCCC1 ZINC000416570128 500063924 /nfs/dbraw/zinc/06/39/24/500063924.db2.gz MXLYUZOZURUNBH-HNNXBMFYSA-N -1 3 358.529 3.021 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F)c1nccs1 ZINC000416582203 500066203 /nfs/dbraw/zinc/06/62/03/500066203.db2.gz UUTYBVNWOBPHSG-ZETCQYMHSA-N -1 3 370.349 3.220 20 0 FGADHM COCC[C@H](C)C[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000416590657 500067706 /nfs/dbraw/zinc/06/77/06/500067706.db2.gz TVXQQSIGTSIWII-VIFPVBQESA-N -1 3 370.696 3.053 20 0 FGADHM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2Br)CS1 ZINC000416598657 500070275 /nfs/dbraw/zinc/07/02/75/500070275.db2.gz UCYBSQJNFRVWDG-IONNQARKSA-N -1 3 370.721 3.275 20 0 FGADHM COC1([C@H](C)[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)CCC1 ZINC000416614148 500073285 /nfs/dbraw/zinc/07/32/85/500073285.db2.gz HJHPZULPFGEXNY-VIFPVBQESA-N -1 3 355.353 3.080 20 0 FGADHM COc1ccc(S(=O)(=O)[N-][C@H](C)C2(OC)CCC2)c(Cl)c1Cl ZINC000416612989 500073482 /nfs/dbraw/zinc/07/34/82/500073482.db2.gz DYQAKMWMVJHFGX-SECBINFHSA-N -1 3 368.282 3.238 20 0 FGADHM CC[C@@H]([N-]S(=O)(=O)c1ccc(-c2csc(C)n2)s1)[C@@H](O)C(C)C ZINC000416623827 500074284 /nfs/dbraw/zinc/07/42/84/500074284.db2.gz NWWXMPLBENUGJU-ABAIWWIYSA-N -1 3 374.553 3.254 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)c(OC)cc1Cl)[C@H](O)C(C)C ZINC000416622872 500074491 /nfs/dbraw/zinc/07/44/91/500074491.db2.gz MYTSRTMLBUJQQU-SMDDNHRTSA-N -1 3 370.298 3.076 20 0 FGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCC[C@@H](CO)C2)c1Cl ZINC000416631458 500075728 /nfs/dbraw/zinc/07/57/28/500075728.db2.gz DYBQATWZUPMEBF-MNOVXSKESA-N -1 3 352.283 3.131 20 0 FGADHM CO[C@@H](C[N-]S(=O)(=O)c1sc(C)cc1Br)CC(C)C ZINC000416642182 500077464 /nfs/dbraw/zinc/07/74/64/500077464.db2.gz FTIWNEHPTQECDH-SNVBAGLBSA-N -1 3 370.334 3.158 20 0 FGADHM O=S(=O)([N-][C@@H]1CCC[C@H](CO)C1)c1c(Cl)ccc2ccccc21 ZINC000416655534 500079397 /nfs/dbraw/zinc/07/93/97/500079397.db2.gz MEGVVDJCNVAZJN-GXTWGEPZSA-N -1 3 353.871 3.323 20 0 FGADHM O=S(=O)([N-][C@H]1CCC[C@@H](CO)C1)c1cc2cc(Cl)ccc2s1 ZINC000416657910 500079501 /nfs/dbraw/zinc/07/95/01/500079501.db2.gz NUMVTDYETBYYAU-MFKMUULPSA-N -1 3 359.900 3.384 20 0 FGADHM Cc1ccc(C(=O)N2CC[C@@]3(C2)CC(=O)c2ccccc2O3)c([O-])c1C ZINC000573335624 506174814 /nfs/dbraw/zinc/17/48/14/506174814.db2.gz FDLOXSPLDPGABT-NRFANRHFSA-N -1 3 351.402 3.259 20 0 FGADHM CSCc1cnc(CNC[C@@H](Cc2cccc(C)c2)C(=O)[O-])s1 ZINC000417554662 500107047 /nfs/dbraw/zinc/10/70/47/500107047.db2.gz CSXRPGDXHPKAPI-CQSZACIVSA-N -1 3 350.509 3.348 20 0 FGADHM CC(=O)N(c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)[C@@H]1C[C@H]1C ZINC000570480125 506176718 /nfs/dbraw/zinc/17/67/18/506176718.db2.gz IIRGTVAUVLIXTO-KZULUSFZSA-N -1 3 362.426 3.388 20 0 FGADHM CC(=O)N(c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)[C@H]1C[C@H]1C ZINC000570480127 506176805 /nfs/dbraw/zinc/17/68/05/506176805.db2.gz IIRGTVAUVLIXTO-XIKOKIGWSA-N -1 3 362.426 3.388 20 0 FGADHM CCC[C@@H]1C[C@H]1C(=O)N=c1[n-]n(CC(F)(F)F)cc1Br ZINC000421681809 500115599 /nfs/dbraw/zinc/11/55/99/500115599.db2.gz ZPHCYRHOTUECSG-HTQZYQBOSA-N -1 3 354.170 3.005 20 0 FGADHM Cc1nn(C(C)C)cc1CN[C@H](C(=O)[O-])c1ccc(Br)cc1 ZINC000417579807 500115760 /nfs/dbraw/zinc/11/57/60/500115760.db2.gz DGPPJTQNENITLT-HNNXBMFYSA-N -1 3 366.259 3.450 20 0 FGADHM COc1ccc(OC(F)F)c(CNCCc2ccc(C(=O)[O-])cc2)c1 ZINC000417582631 500116464 /nfs/dbraw/zinc/11/64/64/500116464.db2.gz IWEIMZUSNMRDQL-UHFFFAOYSA-N -1 3 351.349 3.327 20 0 FGADHM CC(C)N(Cc1ccc(F)cc1)C(=O)N=c1cc(OC(F)F)n(C)[n-]1 ZINC000429651105 500118128 /nfs/dbraw/zinc/11/81/28/500118128.db2.gz RCUARLQOHMIKIP-UHFFFAOYSA-N -1 3 356.348 3.025 20 0 FGADHM CCOc1cc(CN[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)cc(Cl)c1OC ZINC000417590190 500119216 /nfs/dbraw/zinc/11/92/16/500119216.db2.gz VVFMXOXLVYMDJQ-ABAIWWIYSA-N -1 3 373.877 3.494 20 0 FGADHM Cn1[n-]c(=NC(=O)NCC2(c3ccccc3)CCCC2)cc1OC(F)F ZINC000429659572 500119865 /nfs/dbraw/zinc/11/98/65/500119865.db2.gz LGEIJUNXXFOYKR-UHFFFAOYSA-N -1 3 364.396 3.077 20 0 FGADHM O=C([O-])[C@@H]1C=C[C@@H](NCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000417611072 500124398 /nfs/dbraw/zinc/12/43/98/500124398.db2.gz AHRAKTHBIWYDQE-CHWSQXEVSA-N -1 3 351.328 3.010 20 0 FGADHM COc1cc(CN[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc(OC)c1OC ZINC000417620338 500127041 /nfs/dbraw/zinc/12/70/41/500127041.db2.gz LJENLBHZUPIBAF-HZPDHXFCSA-N -1 3 357.406 3.115 20 0 FGADHM CC(C)(C)c1nn(Cc2ccccc2)cc1CN[C@H]1C=C[C@@H](C(=O)[O-])C1 ZINC000417625598 500128240 /nfs/dbraw/zinc/12/82/40/500128240.db2.gz RTUBGYGPOKCSLL-AEFFLSMTSA-N -1 3 353.466 3.348 20 0 FGADHM CC(C)=CCSC[C@@H](NCc1nc2cc(Cl)ccc2n1C)C(=O)[O-] ZINC000417627021 500129452 /nfs/dbraw/zinc/12/94/52/500129452.db2.gz OZMQFHGPDYZSCT-CQSZACIVSA-N -1 3 367.902 3.469 20 0 FGADHM COc1ccc(CN[C@H]2C=C[C@H](C(=O)[O-])C2)cc1OCc1ccccc1 ZINC000417629880 500130043 /nfs/dbraw/zinc/13/00/43/500130043.db2.gz XPJRCUGIEISMIA-ROUUACIJSA-N -1 3 353.418 3.393 20 0 FGADHM O=C([O-])[C@H](CNCc1csc(C2CC2)n1)Cc1cc(F)c(F)c(F)c1 ZINC000417634070 500131356 /nfs/dbraw/zinc/13/13/56/500131356.db2.gz HUHPWCRQFUDTSZ-NSHDSACASA-N -1 3 370.396 3.471 20 0 FGADHM CC(C)N(C[C@H]1CCC(=O)N1)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000414032663 500131772 /nfs/dbraw/zinc/13/17/72/500131772.db2.gz QIXITTWRLYTXMQ-OAHLLOKOSA-N -1 3 368.433 3.314 20 0 FGADHM O=C([O-])c1cccc(CCNCc2cnc(CCc3ccccc3)s2)n1 ZINC000417635786 500131900 /nfs/dbraw/zinc/13/19/00/500131900.db2.gz KMKVDNQAUCTNPW-UHFFFAOYSA-N -1 3 367.474 3.354 20 0 FGADHM O=C([O-])C[C@H](CNCc1ccc(Br)cc1F)C(F)(F)F ZINC000417636851 500132737 /nfs/dbraw/zinc/13/27/37/500132737.db2.gz YLZPOXAOQVOFEG-MRVPVSSYSA-N -1 3 358.129 3.331 20 0 FGADHM COC[C@H](NCc1ccc(-c2ccccc2Br)s1)C(=O)[O-] ZINC000417637963 500132897 /nfs/dbraw/zinc/13/28/97/500132897.db2.gz ZSMYSZUPBOFRRG-ZDUSSCGKSA-N -1 3 370.268 3.367 20 0 FGADHM Cc1ccc(OC(F)F)c(CNC[C@H](Oc2ccccc2)C(=O)[O-])c1 ZINC000417639155 500133292 /nfs/dbraw/zinc/13/32/92/500133292.db2.gz LKLNWWGXAKXASW-INIZCTEOSA-N -1 3 351.349 3.218 20 0 FGADHM Cc1ccc(C[C@H](NCc2ccc(Br)o2)C(=O)[O-])cc1C ZINC000417644424 500135780 /nfs/dbraw/zinc/13/57/80/500135780.db2.gz AAILHJWZSCCCSE-AWEZNQCLSA-N -1 3 352.228 3.444 20 0 FGADHM COc1cc2ccccc2cc1CN[C@@H](CC(=O)OC(C)(C)C)C(=O)[O-] ZINC000417664486 500142013 /nfs/dbraw/zinc/14/20/13/500142013.db2.gz OVOKMOYUNROBRR-INIZCTEOSA-N -1 3 359.422 3.123 20 0 FGADHM O=C([O-])[C@@H](Cn1ccc(C(F)(F)F)n1)NCc1cccc(C2CC2)c1 ZINC000421814713 500157573 /nfs/dbraw/zinc/15/75/73/500157573.db2.gz KIFOECPOFQYPNS-CQSZACIVSA-N -1 3 353.344 3.022 20 0 FGADHM O=S(=O)([N-][C@H]1[C@@H]2CCC[C@@H]21)c1cc(Cl)ccc1Br ZINC000429875497 500159999 /nfs/dbraw/zinc/15/99/99/500159999.db2.gz FCWOZEZGNRYIAI-GDGBQDQQSA-N -1 3 350.665 3.179 20 0 FGADHM CC(C)(C(=O)N=c1cc2ccc(Br)cn2[n-]1)c1cccs1 ZINC000430121693 500196133 /nfs/dbraw/zinc/19/61/33/500196133.db2.gz GXTHQHYQMSWNLA-UHFFFAOYSA-N -1 3 364.268 3.497 20 0 FGADHM Cn1ncc2c1ncc(C(=O)N1CC[C@H](c3ccccc3)C1(C)C)c2[O-] ZINC000422070570 500210260 /nfs/dbraw/zinc/21/02/60/500210260.db2.gz RGAASQAFXXOUPI-MRXNPFEDSA-N -1 3 350.422 3.082 20 0 FGADHM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1ccn(-c2ccc(F)cc2F)n1 ZINC000579479479 506185285 /nfs/dbraw/zinc/18/52/85/506185285.db2.gz XTRKKYBQRPXJQU-NJAPINKUSA-N -1 3 361.392 3.368 20 0 FGADHM COc1cc(Br)c(CN(C)[C@H](CC(C)C)C(=O)[O-])cc1OC ZINC000579483919 506186023 /nfs/dbraw/zinc/18/60/23/506186023.db2.gz AOBPBQSBCBBYDV-CYBMUJFWSA-N -1 3 374.275 3.397 20 0 FGADHM CN(CCCC(=O)[O-])CC(=O)N1CCC[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000430672054 500268087 /nfs/dbraw/zinc/26/80/87/500268087.db2.gz SKOBIUZXYPNNPA-GOSISDBHSA-N -1 3 360.498 3.444 20 0 FGADHM C[C@H](NC(=O)[C@H](C)N(C)CCCC(=O)[O-])c1ccc(Cl)cc1Cl ZINC000430675031 500268686 /nfs/dbraw/zinc/26/86/86/500268686.db2.gz CZNFKCLQJDFFTG-QWRGUYRKSA-N -1 3 361.269 3.356 20 0 FGADHM COC(=O)c1ccc(-c2nc(Cc3ccccc3Br)no2)[n-]1 ZINC000426412037 500270859 /nfs/dbraw/zinc/27/08/59/500270859.db2.gz OHEAIWGCXJXXSV-UHFFFAOYSA-N -1 3 362.183 3.205 20 0 FGADHM O=C(CNC(=O)c1cccc([O-])c1)N1CCC[C@@H]1c1cccc(Cl)c1 ZINC000426626814 500297024 /nfs/dbraw/zinc/29/70/24/500297024.db2.gz BOEBXBOQNKVPAK-QGZVFWFLSA-N -1 3 358.825 3.139 20 0 FGADHM COc1ccccc1C[C@@H](CNCc1nc2c(s1)C[C@@H](C)CC2)C(=O)[O-] ZINC000426632345 500298096 /nfs/dbraw/zinc/29/80/96/500298096.db2.gz VEPMFAVKKRITMV-ZFWWWQNUSA-N -1 3 374.506 3.310 20 0 FGADHM COc1cc2c(cc1CNCCC[C@@H](Cc1ccccc1)C(=O)[O-])OCO2 ZINC000426642450 500299438 /nfs/dbraw/zinc/29/94/38/500299438.db2.gz INXUXWVZAHALLG-INIZCTEOSA-N -1 3 371.433 3.237 20 0 FGADHM O=C([O-])[C@@H](CNCc1ccc(OC(F)F)c(F)c1)Oc1ccc(F)cc1 ZINC000426644650 500299608 /nfs/dbraw/zinc/29/96/08/500299608.db2.gz XMFVCRPYNKYVJQ-OAHLLOKOSA-N -1 3 373.302 3.188 20 0 FGADHM CCN=c1[n-]c(C(=O)NC[C@@H]2CCCO[C@H]2c2ccc(C)cc2)cs1 ZINC000426646092 500300217 /nfs/dbraw/zinc/30/02/17/500300217.db2.gz HKUATAVHVQYOSY-RDJZCZTQSA-N -1 3 359.495 3.203 20 0 FGADHM O=C([O-])[C@H](CNCc1cccc(OC(F)(F)F)c1)Oc1ccc(F)cc1 ZINC000426655870 500302162 /nfs/dbraw/zinc/30/21/62/500302162.db2.gz VFKZHWCVRKMKBT-HNNXBMFYSA-N -1 3 373.302 3.346 20 0 FGADHM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NCc1ccn(-c2ccccc2)n1 ZINC000426662696 500303407 /nfs/dbraw/zinc/30/34/07/500303407.db2.gz HASSMDXXSNRNAG-HXUWFJFHSA-N -1 3 360.417 3.139 20 0 FGADHM Cn1c(CNC[C@H](Cc2ccc(Cl)cc2)C(=O)[O-])nc2ccccc21 ZINC000426688039 500306402 /nfs/dbraw/zinc/30/64/02/500306402.db2.gz NSYXYRQPTYHCDR-AWEZNQCLSA-N -1 3 357.841 3.260 20 0 FGADHM C[C@H](CCC[C@H](C)NCc1cn(-c2ccc(F)cc2Cl)nn1)C(=O)[O-] ZINC000426698549 500308302 /nfs/dbraw/zinc/30/83/02/500308302.db2.gz ZAESPYFHSRNEPY-NEPJUHHUSA-N -1 3 368.840 3.429 20 0 FGADHM O=C([O-])[C@@H](CSCCc1ccccc1)NCc1ccc(F)c(F)c1 ZINC000426745546 500314509 /nfs/dbraw/zinc/31/45/09/500314509.db2.gz UVMJNRIARIEKGI-QGZVFWFLSA-N -1 3 351.418 3.484 20 0 FGADHM Cn1c(CN[C@@H](Cc2ccc(F)cc2)C(=O)[O-])nc2cc(Cl)ccc21 ZINC000426747897 500314545 /nfs/dbraw/zinc/31/45/45/500314545.db2.gz SPHQEHCYXULCIC-HNNXBMFYSA-N -1 3 361.804 3.151 20 0 FGADHM Cc1cc(C)cc([C@@H](NCc2ccc(-n3cncn3)c(C)c2)C(=O)[O-])c1 ZINC000426760189 500316594 /nfs/dbraw/zinc/31/65/94/500316594.db2.gz QHYALOINQQFKMK-LJQANCHMSA-N -1 3 350.422 3.108 20 0 FGADHM O=C([O-])[C@@H](NCc1cc(Cl)c2c(c1)OCCO2)c1ccc(F)cc1 ZINC000426772475 500318371 /nfs/dbraw/zinc/31/83/71/500318371.db2.gz DQDOXMLNIJWDDR-HNNXBMFYSA-N -1 3 351.761 3.166 20 0 FGADHM CCCSC[C@@H](NCc1cc(F)ccc1Br)C(=O)[O-] ZINC000426775371 500318695 /nfs/dbraw/zinc/31/86/95/500318695.db2.gz ZMTMSVHPSBYGNR-GFCCVEGCSA-N -1 3 350.253 3.274 20 0 FGADHM CCCSC[C@@H](NCc1cnn(-c2ccc(Cl)cc2)c1)C(=O)[O-] ZINC000426774505 500318972 /nfs/dbraw/zinc/31/89/72/500318972.db2.gz VBAMRPZXKLYYSR-OAHLLOKOSA-N -1 3 353.875 3.212 20 0 FGADHM COc1ccc(CN[C@H](C(=O)[O-])c2cccs2)cc1Br ZINC000426814960 500324489 /nfs/dbraw/zinc/32/44/89/500324489.db2.gz CGMBLXGCFXHSRT-ZDUSSCGKSA-N -1 3 356.241 3.435 20 0 FGADHM CCOC(=O)c1cccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2F)c1 ZINC000431169620 500345228 /nfs/dbraw/zinc/34/52/28/500345228.db2.gz MSPDBLNJIPEYOK-UHFFFAOYSA-N -1 3 359.325 3.081 20 0 FGADHM COCc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)OC)c2Cl)cc1 ZINC000431176209 500346170 /nfs/dbraw/zinc/34/61/70/500346170.db2.gz SMFSBAOAVOCFOD-UHFFFAOYSA-N -1 3 369.826 3.074 20 0 FGADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)CCCCCO[C@H]1CCC[C@H](C)C1 ZINC000427153768 500360285 /nfs/dbraw/zinc/36/02/85/500360285.db2.gz SUUMUKGKVBYPRD-JSGCOSHPSA-N -1 3 351.447 3.290 20 0 FGADHM COC(=O)c1ccccc1OCCSCc1cc(=O)[n-]c(C2CC2)n1 ZINC000419458948 500367604 /nfs/dbraw/zinc/36/76/04/500367604.db2.gz DSCXIQLDOSWFFG-UHFFFAOYSA-N -1 3 360.435 3.158 20 0 FGADHM COc1ccccc1[C@H](C)NC(=O)CSCc1cc(=O)[n-]c(C2CC2)n1 ZINC000419606435 500383941 /nfs/dbraw/zinc/38/39/41/500383941.db2.gz SFIXNXRBAVSVQL-LBPRGKRZSA-N -1 3 373.478 3.179 20 0 FGADHM COC[C@H]([N-]S(=O)(=O)c1sc(C)cc1C)c1ccc(F)c(F)c1 ZINC000431526825 500388386 /nfs/dbraw/zinc/38/83/86/500388386.db2.gz XAKASWORXSGWOI-AWEZNQCLSA-N -1 3 361.435 3.309 20 0 FGADHM COc1ccc(C)cc1CNc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000419759289 500393725 /nfs/dbraw/zinc/39/37/25/500393725.db2.gz 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500419847 /nfs/dbraw/zinc/41/98/47/500419847.db2.gz FAOANCBJARGWDL-UHFFFAOYSA-N -1 3 368.842 3.368 20 0 FGADHM COC(=O)c1cc(S(=O)(=O)[N-]Cc2ccc3ccccc3c2)oc1C ZINC000431807209 500427489 /nfs/dbraw/zinc/42/74/89/500427489.db2.gz FNLOYXNWIQWYQL-UHFFFAOYSA-N -1 3 359.403 3.006 20 0 FGADHM COC(=O)c1cc(S(=O)(=O)[N-][C@@H](c2ccccc2)C2CCC2)oc1C ZINC000431816764 500428663 /nfs/dbraw/zinc/42/86/63/500428663.db2.gz ZDPHNSGJHJAGGS-KRWDZBQOSA-N -1 3 363.435 3.194 20 0 FGADHM O=S(=O)([N-][C@H]1CCC[C@@H]1OCc1ccccc1)c1ccc(F)cc1F ZINC000427806831 500434875 /nfs/dbraw/zinc/43/48/75/500434875.db2.gz LBBXXQJZYSDMOF-IRXDYDNUSA-N -1 3 367.417 3.381 20 0 FGADHM O=C1N[C@@H](c2cccs2)C(=O)N1Cc1ccc([O-])c(Br)c1 ZINC000431870471 500436891 /nfs/dbraw/zinc/43/68/91/500436891.db2.gz IRPCCKIPLYWLNK-LBPRGKRZSA-N -1 3 367.224 3.009 20 0 FGADHM Cc1cc(-c2ncccc2[N-]S(=O)(=O)CCOCC2CC2)cs1 ZINC000424072465 500447837 /nfs/dbraw/zinc/44/78/37/500447837.db2.gz XRYVLCHUVDSYJZ-UHFFFAOYSA-N -1 3 352.481 3.287 20 0 FGADHM 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ZJBLKMVGXHOMJO-ZDUSSCGKSA-N -1 3 357.353 3.393 20 0 FGADHM CS[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(F)ccc2OC(F)F)C1 ZINC000420681559 500487572 /nfs/dbraw/zinc/48/75/72/500487572.db2.gz RZAVIDDMMUIOGD-QWRGUYRKSA-N -1 3 369.430 3.380 20 0 FGADHM CO[C@@H](CC(C)C)CS(=O)(=O)[N-][C@@H](C)c1nc(C2CCCCC2)no1 ZINC000420681742 500487663 /nfs/dbraw/zinc/48/76/63/500487663.db2.gz ZZCALCFCFSKYHG-ZFWWWQNUSA-N -1 3 373.519 3.159 20 0 FGADHM CO[C@@H](CC(C)C)CS(=O)(=O)[N-]C[C@H](c1ccccc1)C(F)(F)F ZINC000420696498 500489180 /nfs/dbraw/zinc/48/91/80/500489180.db2.gz YEHXFKZOONRCJD-LSDHHAIUSA-N -1 3 367.433 3.313 20 0 FGADHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)F)CS1 ZINC000420694299 500489345 /nfs/dbraw/zinc/48/93/45/500489345.db2.gz BFBFMNYQUKRWEH-VXNVDRBHSA-N -1 3 357.831 3.114 20 0 FGADHM CC[C@H](C)C[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000420710814 500490796 /nfs/dbraw/zinc/49/07/96/500490796.db2.gz WLPRKWLZDRKCPV-QWHCGFSZSA-N -1 3 361.891 3.080 20 0 FGADHM CC[C@H]1C[C@@H]([N-]S(=O)(=O)c2csc(-c3ccccc3)n2)CCO1 ZINC000420719859 500491016 /nfs/dbraw/zinc/49/10/16/500491016.db2.gz GPKAGBFRRHYPCS-KBPBESRZSA-N -1 3 352.481 3.046 20 0 FGADHM CCOC1(C[N-]S(=O)(=O)c2cc(F)ccc2OC(F)F)CCCC1 ZINC000420718731 500491337 /nfs/dbraw/zinc/49/13/37/500491337.db2.gz FQTWVWAOQOUJAM-UHFFFAOYSA-N -1 3 367.389 3.055 20 0 FGADHM CC[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(OC)c(Cl)c2Cl)CCO1 ZINC000420730160 500492444 /nfs/dbraw/zinc/49/24/44/500492444.db2.gz RGSFYJQBJNBVCW-NXEZZACHSA-N -1 3 368.282 3.238 20 0 FGADHM CCSc1nnc([N-]C(=O)c2cnc(OCc3ccccc3)cn2)s1 ZINC000428319797 500495435 /nfs/dbraw/zinc/49/54/35/500495435.db2.gz KOLICPQZKTWREQ-UHFFFAOYSA-N -1 3 373.463 3.271 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]C(C)(C)c2cn(C(C)C)nn2)sc1Cl ZINC000420766278 500496459 /nfs/dbraw/zinc/49/64/59/500496459.db2.gz SDVVHAVMEDDSAA-UHFFFAOYSA-N -1 3 362.908 3.096 20 0 FGADHM C[C@@H](CN=c1[n-]c(C(N)=O)cs1)Sc1ccc(Br)cc1 ZINC000432323870 500499224 /nfs/dbraw/zinc/49/92/24/500499224.db2.gz DMSYBVSSVHSQBY-QMMMGPOBSA-N -1 3 372.313 3.019 20 0 FGADHM CCC(CC)(CNC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1)C(=O)[O-] ZINC000424430445 500503658 /nfs/dbraw/zinc/50/36/58/500503658.db2.gz MMSMMUFXVIQYLB-OAHLLOKOSA-N -1 3 369.893 3.133 20 0 FGADHM CC(C)CCOc1cccc(NC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C)c1 ZINC000432441742 500516739 /nfs/dbraw/zinc/51/67/39/500516739.db2.gz LCODLXYIRDNKOZ-INIZCTEOSA-N -1 3 370.515 3.014 20 0 FGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@H]2CCCC[C@@H]2C)cc1OC ZINC000424595938 500524298 /nfs/dbraw/zinc/52/42/98/500524298.db2.gz NYKBSPTVRRHZFD-JSGCOSHPSA-N -1 3 354.472 3.222 20 0 FGADHM CC(C)=CCSC[C@@H](NCc1ccc2c(c1)OC(F)(F)O2)C(=O)[O-] ZINC000424611972 500528218 /nfs/dbraw/zinc/52/82/18/500528218.db2.gz FOTSEBBFHBHEAV-GFCCVEGCSA-N -1 3 359.394 3.250 20 0 FGADHM COC(=O)c1cnc(SCc2ccc(OC)c(Br)c2)[n-]1 ZINC000432660723 500544762 /nfs/dbraw/zinc/54/47/62/500544762.db2.gz UZKSLTQIPWEDEZ-UHFFFAOYSA-N -1 3 357.229 3.260 20 0 FGADHM C[C@@]12CCN(C(=O)Cc3ccc(Br)cc3[O-])C[C@@H]1C2(F)F 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20 0 FGADHM COc1ccc(C)cc1NC(=O)[C@H]1CCCN1C(=O)c1ccc([O-])c(C)c1 ZINC000436934394 500572936 /nfs/dbraw/zinc/57/29/36/500572936.db2.gz GHDCBOVYMZFSCK-QGZVFWFLSA-N -1 3 368.433 3.261 20 0 FGADHM Cc1cc(C(=O)N2CSC[C@H]2C(=O)Nc2ccccc2C)ccc1[O-] ZINC000436936573 500573853 /nfs/dbraw/zinc/57/38/53/500573853.db2.gz GJOVPPNSLJDYTI-INIZCTEOSA-N -1 3 356.447 3.163 20 0 FGADHM Cc1ccc(C(=O)N[C@H](C)c2ncc(Br)cn2)c([O-])c1C ZINC000436935465 500574303 /nfs/dbraw/zinc/57/43/03/500574303.db2.gz CDORGUDXGGCUOP-SNVBAGLBSA-N -1 3 350.216 3.053 20 0 FGADHM CSc1ccc(C(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000436943990 500576244 /nfs/dbraw/zinc/57/62/44/500576244.db2.gz LCPTWWYKOHJWCK-UHFFFAOYSA-N -1 3 370.474 3.149 20 0 FGADHM CSc1ccccc1C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436944009 500576247 /nfs/dbraw/zinc/57/62/47/500576247.db2.gz IMRWZMDURMCNSP-UHFFFAOYSA-N -1 3 370.474 3.149 20 0 FGADHM COc1cc(-c2noc(-c3ncsc3Br)n2)ccc1[O-] ZINC000436946974 500576813 /nfs/dbraw/zinc/57/68/13/500576813.db2.gz 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ZINC000444088416 500801635 /nfs/dbraw/zinc/80/16/35/500801635.db2.gz VJZCQWXAJHDQLC-UHFFFAOYSA-N -1 3 367.492 3.294 20 0 FGADHM O=C(N[C@H]1C[C@H]1c1cccc(Br)c1)c1ccc2n[n-]nc2c1 ZINC000588149012 506217694 /nfs/dbraw/zinc/21/76/94/506217694.db2.gz JKKRBAXUARYTER-JSGCOSHPSA-N -1 3 357.211 3.006 20 0 FGADHM COc1ccc([C@@H](CN=c2[n-]c(-c3ccccc3)no2)N2CCCC2)cc1 ZINC000588159562 506218064 /nfs/dbraw/zinc/21/80/64/506218064.db2.gz KICUUKJDWKMWFJ-LJQANCHMSA-N -1 3 364.449 3.416 20 0 FGADHM C[C@@H](Cc1ccncc1)NC(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000444190272 500815944 /nfs/dbraw/zinc/81/59/44/500815944.db2.gz WJOYONASHCSDAF-HNNXBMFYSA-N -1 3 360.413 3.379 20 0 FGADHM Cc1cc(Br)cc(S(=O)(=O)[N-][C@H](C)CC(F)(F)F)c1 ZINC000444195989 500816310 /nfs/dbraw/zinc/81/63/10/500816310.db2.gz MBRWEXBBBNUVQZ-MRVPVSSYSA-N -1 3 360.195 3.377 20 0 FGADHM CCC1([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2F)CCOCC1 ZINC000444203566 500817012 /nfs/dbraw/zinc/81/70/12/500817012.db2.gz HLUUGHFSKPEKEQ-UHFFFAOYSA-N -1 3 355.353 3.082 20 0 FGADHM CCOC(=O)C[C@@H](C)N(C)C(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000444302218 500831578 /nfs/dbraw/zinc/83/15/78/500831578.db2.gz ITWGWMSBPMWEOK-CQSZACIVSA-N -1 3 369.417 3.037 20 0 FGADHM Cc1cc(C(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)nn1C(C)C ZINC000448798820 500837374 /nfs/dbraw/zinc/83/73/74/500837374.db2.gz WGCHJOAYTUSRLX-UHFFFAOYSA-N -1 3 351.410 3.083 20 0 FGADHM Cc1nc(C)c(CCC(=O)N2CCOc3c2cccc3C(C)(C)C)c(=O)[n-]1 ZINC000444488020 500853406 /nfs/dbraw/zinc/85/34/06/500853406.db2.gz PTVUBBLFGXQGNN-UHFFFAOYSA-N -1 3 369.465 3.455 20 0 FGADHM CC(C)[C@H](NC(=O)Cc1ccc([O-])c(F)c1)c1nc(-c2ccncc2)no1 ZINC000448873261 500857971 /nfs/dbraw/zinc/85/79/71/500857971.db2.gz ZDILSOQBKDKPBK-KRWDZBQOSA-N -1 3 370.384 3.032 20 0 FGADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)CC[C@@H]2CC[C@H](C)O2)[nH][n-]1 ZINC000439156436 500864733 /nfs/dbraw/zinc/86/47/33/500864733.db2.gz DBUWXLWWUSEOFB-AAEUAGOBSA-N -1 3 363.845 3.447 20 0 FGADHM CCOC(=O)c1ccsc1[N-]C(=O)C(=O)N(C)Cc1cc(C)cc(C)c1 ZINC000434614934 500865538 /nfs/dbraw/zinc/86/55/38/500865538.db2.gz JPDISOBUAGWDKA-UHFFFAOYSA-N -1 3 374.462 3.139 20 0 FGADHM CC(C)(C)[C@@H]1CN(C(=O)CNC(=O)c2cccc([O-])c2)c2ccccc21 ZINC000444640760 500872096 /nfs/dbraw/zinc/87/20/96/500872096.db2.gz SMUOCPVVOGIXHH-QGZVFWFLSA-N -1 3 352.434 3.299 20 0 FGADHM COc1ccc(C2(NC(=O)c3ccc([O-])c(C)c3)CCOCC2)cc1F ZINC000444758846 500893966 /nfs/dbraw/zinc/89/39/66/500893966.db2.gz GINCVAOAALOFRE-UHFFFAOYSA-N -1 3 359.397 3.284 20 0 FGADHM CCN(c1ccc(C(=O)Nc2n[n-]c(-c3ccccc3F)n2)cn1)C(C)C ZINC000598914676 506223917 /nfs/dbraw/zinc/22/39/17/506223917.db2.gz AYGLLOPRNSRMBZ-UHFFFAOYSA-N -1 3 368.416 3.493 20 0 FGADHM O=S(=O)([N-]CC1CCN(C2CC2)CC1)c1cc(Cl)sc1Cl ZINC000445081048 500941909 /nfs/dbraw/zinc/94/19/09/500941909.db2.gz UDDSDQAXRFVSOL-UHFFFAOYSA-N -1 3 369.339 3.208 20 0 FGADHM C[C@H](CN1CCC[C@H](C)C1)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000440084361 500973047 /nfs/dbraw/zinc/97/30/47/500973047.db2.gz ZWMYLLNFVODYAA-NWDGAFQWSA-N -1 3 365.326 3.392 20 0 FGADHM O=S(=O)([N-][C@@H]1C[C@H]1c1ccc(Br)cc1)c1ccccc1F ZINC000435441294 500978385 /nfs/dbraw/zinc/97/83/85/500978385.db2.gz FASTZDOJWWERLU-GXTWGEPZSA-N -1 3 370.243 3.423 20 0 FGADHM CCc1ncc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2c(F)cccc2Cl)s1 ZINC000435444456 500978914 /nfs/dbraw/zinc/97/89/14/500978914.db2.gz XNDGIPSSPBCJPP-LDYMZIIASA-N -1 3 360.863 3.332 20 0 FGADHM CCOc1cc(-c2noc(CN(C)C(=O)c3cccs3)n2)ccc1[O-] ZINC000445419699 500983159 /nfs/dbraw/zinc/98/31/59/500983159.db2.gz RTYDWOFCZWCDLJ-UHFFFAOYSA-N -1 3 359.407 3.175 20 0 FGADHM CCOc1cc(-c2noc(Cc3cccc(C(=O)OC)c3)n2)ccc1[O-] ZINC000445417689 500983317 /nfs/dbraw/zinc/98/33/17/500983317.db2.gz KGVSVMXHQUTNMC-UHFFFAOYSA-N -1 3 354.362 3.218 20 0 FGADHM Cc1nc(C)c(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccc(Cl)c(F)c2)s1 ZINC000435583664 500995634 /nfs/dbraw/zinc/99/56/34/500995634.db2.gz KNAIGVVYVHAURU-GXFFZTMASA-N -1 3 360.863 3.387 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2CCOc3ccccc32)c(F)cc1F ZINC000440380779 501002378 /nfs/dbraw/zinc/00/23/78/501002378.db2.gz PFBYULQJUJXMQC-LBPRGKRZSA-N -1 3 353.390 3.118 20 0 FGADHM CSc1ccc(-c2nsc([N-]C(=O)c3nccn4ccnc34)n2)cc1 ZINC000440460970 501010043 /nfs/dbraw/zinc/01/00/43/501010043.db2.gz HHPHXDZDIFCQPQ-UHFFFAOYSA-N -1 3 368.447 3.222 20 0 FGADHM CCc1[n-][nH]c(=NC(=O)[C@H](C)OCCC(C)C)c1-c1ccc2c(c1)OCO2 ZINC000440470511 501011561 /nfs/dbraw/zinc/01/15/61/501011561.db2.gz RKPXDIONIHBYPC-ZDUSSCGKSA-N -1 3 373.453 3.179 20 0 FGADHM CC(C)[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000445725977 501024934 /nfs/dbraw/zinc/02/49/34/501024934.db2.gz QCVIINAREZBUCV-VIFPVBQESA-N -1 3 364.311 3.356 20 0 FGADHM CCCCS(=O)(=O)[N-]Cc1nc(-c2ccc(SCC)cc2)no1 ZINC000445729843 501025281 /nfs/dbraw/zinc/02/52/81/501025281.db2.gz BQTMMAUFHZRDIV-UHFFFAOYSA-N -1 3 355.485 3.068 20 0 FGADHM O=S(=O)([N-]Cc1ccc(-c2ccc3c(c2)CCO3)cc1)c1ccco1 ZINC000445742869 501026977 /nfs/dbraw/zinc/02/69/77/501026977.db2.gz PPWDTEBERLLNPV-UHFFFAOYSA-N -1 3 355.415 3.360 20 0 FGADHM COc1ccc(CC(C)(C)[N-]S(=O)(=O)c2cc(F)cc(F)c2)cc1 ZINC000445752736 501028189 /nfs/dbraw/zinc/02/81/89/501028189.db2.gz WSDSNMRNORGYIP-UHFFFAOYSA-N -1 3 355.406 3.273 20 0 FGADHM Cc1nc(C)c(CC(=O)N[C@@H](C)c2cccc(OC(F)(F)F)c2)c(=O)[n-]1 ZINC000440807415 501050928 /nfs/dbraw/zinc/05/09/28/501050928.db2.gz HXTQEWBWXVMHHQ-VIFPVBQESA-N -1 3 369.343 3.118 20 0 FGADHM CC(C)(C)O[C@@H]1C[C@H](NCc2c(F)ccc([O-])c2F)[C@H]1n1cccn1 ZINC000449656758 501051908 /nfs/dbraw/zinc/05/19/08/501051908.db2.gz MESQUENYPIRVQV-YSVLISHTSA-N -1 3 351.397 3.154 20 0 FGADHM CCOC(=O)c1ccsc1[N-]C(=O)C(=O)N1CCCC[C@@H]1CC(C)C ZINC000440964661 501068931 /nfs/dbraw/zinc/06/89/31/501068931.db2.gz YRPVDTFINOYVRW-CYBMUJFWSA-N -1 3 366.483 3.291 20 0 FGADHM CCO[C@H](C)c1ncc(C(=O)[N-]c2c(F)cccc2C(=O)OC)s1 ZINC000446104859 501075304 /nfs/dbraw/zinc/07/53/04/501075304.db2.gz MXYVPKHVSSAZEY-SECBINFHSA-N -1 3 352.387 3.419 20 0 FGADHM CC(=O)[C@H](Cc1c(F)cccc1F)Sc1n[n-]c(-c2ccccn2)n1 ZINC000436195237 501087227 /nfs/dbraw/zinc/08/72/27/501087227.db2.gz BYGVXWUZTVAYME-HNNXBMFYSA-N -1 3 360.389 3.437 20 0 FGADHM CC(C)(C)OC(=O)c1ccc([N-]C(=O)c2noc3c2COCC3)c(F)c1 ZINC000598940353 506235161 /nfs/dbraw/zinc/23/51/61/506235161.db2.gz HTGIYULXBUHMGE-UHFFFAOYSA-N -1 3 362.357 3.094 20 0 FGADHM O=C(Nc1ccccc1Cl)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436481744 501136081 /nfs/dbraw/zinc/13/60/81/501136081.db2.gz DTAKEERKXKJLPS-UHFFFAOYSA-N -1 3 359.813 3.036 20 0 FGADHM Cc1cccc(C(=O)N[C@@H](c2nc(-c3ccncc3)no2)C(C)C)c1[O-] ZINC000436511501 501144143 /nfs/dbraw/zinc/14/41/43/501144143.db2.gz ILYMYTIZPNHVNV-OAHLLOKOSA-N -1 3 352.394 3.273 20 0 FGADHM COC(=O)c1ccc(NC(=O)c2cc(OC)c([O-])c(OC)c2)cc1Cl ZINC000436521980 501147700 /nfs/dbraw/zinc/14/77/00/501147700.db2.gz JAXZYWPOLHVTMZ-UHFFFAOYSA-N -1 3 365.769 3.102 20 0 FGADHM CC(=O)c1ccc(C(=O)N2CCC(C(=O)c3ccccc3)CC2)cc1[O-] ZINC000436533024 501149110 /nfs/dbraw/zinc/14/91/10/501149110.db2.gz SQJGSPFUFCIKCT-UHFFFAOYSA-N -1 3 351.402 3.330 20 0 FGADHM Cc1ccc(C(=O)NCCc2nc(-c3ccc(F)cc3F)no2)c([O-])c1 ZINC000436537657 501150993 /nfs/dbraw/zinc/15/09/93/501150993.db2.gz SNVXIYALMZCHAH-UHFFFAOYSA-N -1 3 359.332 3.001 20 0 FGADHM CC(C)c1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)NC2CC2)c([O-])c1 ZINC000436538926 501151305 /nfs/dbraw/zinc/15/13/05/501151305.db2.gz UQGICFWEFSGNOY-IBGZPJMESA-N -1 3 366.461 3.135 20 0 FGADHM COc1ccc(C(=O)N(C)[C@H](c2cnn(C)c2)c2cccc(F)c2)c([O-])c1 ZINC000436542371 501152027 /nfs/dbraw/zinc/15/20/27/501152027.db2.gz GNROACWXWHMICU-IBGZPJMESA-N -1 3 369.396 3.135 20 0 FGADHM O=C(c1cc2c(cc1[O-])CCCC2)N(Cc1ccncc1)C[C@@H]1CCCO1 ZINC000436547732 501153915 /nfs/dbraw/zinc/15/39/15/501153915.db2.gz SIODJPJLHFJUOO-IBGZPJMESA-N -1 3 366.461 3.487 20 0 FGADHM COCCCN(CCOC)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436567188 501158848 /nfs/dbraw/zinc/15/88/48/501158848.db2.gz ZIPKASWIBBHWSP-UHFFFAOYSA-N -1 3 357.450 3.108 20 0 FGADHM Cc1ccc(C(=O)NCc2ccccc2CN2C[C@@H](C)O[C@H](C)C2)c([O-])c1 ZINC000436571544 501159563 /nfs/dbraw/zinc/15/95/63/501159563.db2.gz WBDAJRKOETZNCN-IAGOWNOFSA-N -1 3 368.477 3.240 20 0 FGADHM CN1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])c2cccnc21 ZINC000436574833 501160208 /nfs/dbraw/zinc/16/02/08/501160208.db2.gz MQRQDPACWLJLPI-UHFFFAOYSA-N -1 3 359.429 3.475 20 0 FGADHM CC(C)c1ccc(C(=O)Nc2ccc(OC[C@@H](O)CN(C)C)cc2)c([O-])c1 ZINC000436584259 501163083 /nfs/dbraw/zinc/16/30/83/501163083.db2.gz MCNLGEJMPIUTMY-KRWDZBQOSA-N -1 3 372.465 3.069 20 0 FGADHM COC(=O)C(C)(C)c1ccc(NC(=O)c2cc(C)cc(OC)c2[O-])cc1 ZINC000436587420 501163741 /nfs/dbraw/zinc/16/37/41/501163741.db2.gz FCUIAOATJLRRQQ-UHFFFAOYSA-N -1 3 357.406 3.412 20 0 FGADHM Cc1cc(NC(=O)c2cc(OCc3ccccc3)ccc2[O-])c(=O)n(C)c1 ZINC000436597799 501166461 /nfs/dbraw/zinc/16/64/61/501166461.db2.gz RFVQIRBVRBWCSR-UHFFFAOYSA-N -1 3 364.401 3.231 20 0 FGADHM CCOC(=O)[C@@H]1CN(C(=O)c2cc(CC)ccc2[O-])Cc2ccccc21 ZINC000436598450 501167008 /nfs/dbraw/zinc/16/70/08/501167008.db2.gz ZHEJWVJVXZVAKT-GOSISDBHSA-N -1 3 353.418 3.257 20 0 FGADHM C[C@@H](Cc1ccccc1)C(=O)N=c1nc(-c2ccccc2Cl)[n-]n1C ZINC000436603689 501168244 /nfs/dbraw/zinc/16/82/44/501168244.db2.gz MOCSRABGKBDWJA-ZDUSSCGKSA-N -1 3 354.841 3.375 20 0 FGADHM CC(C)OCc1nc([C@@H](C)NC(=O)c2ccc3c(c2[O-])CCCC3)no1 ZINC000436607145 501168667 /nfs/dbraw/zinc/16/86/67/501168667.db2.gz HYQQEZABYCQWGR-GFCCVEGCSA-N -1 3 359.426 3.070 20 0 FGADHM Cc1ccc(C(=O)NC[C@H](CO)Cc2ccccc2C(F)(F)F)c([O-])c1 ZINC000436609400 501169336 /nfs/dbraw/zinc/16/93/36/501169336.db2.gz WLWBNOUPAKZZKI-CYBMUJFWSA-N -1 3 367.367 3.300 20 0 FGADHM COC(=O)CCc1csc(NC(=O)c2cc3c(cc2[O-])CCCC3)n1 ZINC000436608581 501169350 /nfs/dbraw/zinc/16/93/50/501169350.db2.gz USHGRJBWUMIILK-UHFFFAOYSA-N -1 3 360.435 3.085 20 0 FGADHM O=C(c1c([O-])cccc1O)N1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000436622977 501172204 /nfs/dbraw/zinc/17/22/04/501172204.db2.gz YDXZEELGUXEYAS-OAHLLOKOSA-N -1 3 351.761 3.104 20 0 FGADHM CCCN(CCN1CCCC1)C(=O)c1ccc(Br)cc1[O-] ZINC000436626679 501173037 /nfs/dbraw/zinc/17/30/37/501173037.db2.gz QASUPUAKOIAXBT-UHFFFAOYSA-N -1 3 355.276 3.103 20 0 FGADHM C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436632048 501173843 /nfs/dbraw/zinc/17/38/43/501173843.db2.gz BQQZICPJCJXIIM-CRAIPNDOSA-N -1 3 373.497 3.074 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N(Cc2ccco2)C2CCCC2)c([O-])c1 ZINC000436634033 501174662 /nfs/dbraw/zinc/17/46/62/501174662.db2.gz MXHYTCDTMASNKN-UHFFFAOYSA-N -1 3 370.449 3.385 20 0 FGADHM COc1ccc([C@H]2CCCN2C(=O)c2ccc([O-])c(OC)c2)c(OC)c1 ZINC000436635827 501174832 /nfs/dbraw/zinc/17/48/32/501174832.db2.gz RUDFOBLCLVKINV-MRXNPFEDSA-N -1 3 357.406 3.395 20 0 FGADHM COc1ccc(NC(=O)c2c([O-])cccc2O)cc1Oc1ccc(C)nn1 ZINC000436645835 501177445 /nfs/dbraw/zinc/17/74/45/501177445.db2.gz DWDBMSLHJGSXCJ-UHFFFAOYSA-N -1 3 367.361 3.249 20 0 FGADHM C[C@H](Cc1cc(Br)ccc1F)NC(=O)c1c([O-])cccc1O ZINC000436650305 501178716 /nfs/dbraw/zinc/17/87/16/501178716.db2.gz YSLJPLUIOQVEBC-SECBINFHSA-N -1 3 368.202 3.360 20 0 FGADHM COc1ccc(-n2ccc(CNC(=O)c3ccc(C)c(C)c3[O-])n2)cc1 ZINC000436660766 501181527 /nfs/dbraw/zinc/18/15/27/501181527.db2.gz AYIQZWKUUUGYAQ-UHFFFAOYSA-N -1 3 351.406 3.133 20 0 FGADHM CC(=O)c1ccc(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)cc1[O-] ZINC000436667474 501183613 /nfs/dbraw/zinc/18/36/13/501183613.db2.gz YNAQEQNODFRYGD-IEBWSBKVSA-N -1 3 374.387 3.048 20 0 FGADHM CC1(C)Cc2ccc(C(=O)Nc3ccc(N4CCCC4)nc3)c([O-])c2O1 ZINC000436673599 501184764 /nfs/dbraw/zinc/18/47/64/501184764.db2.gz FDNPQBMWLCUFTK-UHFFFAOYSA-N -1 3 353.422 3.353 20 0 FGADHM C[C@@H](Cc1ccc(Br)cc1)NC(=O)c1ccc(O)cc1[O-] ZINC000436675000 501185398 /nfs/dbraw/zinc/18/53/98/501185398.db2.gz TWWAQEHZNAZRTF-JTQLQIEISA-N -1 3 350.212 3.221 20 0 FGADHM Cc1ccc(C(=O)NCCCc2cc(N)n(-c3ccccc3)n2)c([O-])c1C ZINC000436679458 501187183 /nfs/dbraw/zinc/18/71/83/501187183.db2.gz KSLWNGBTOGSIGI-UHFFFAOYSA-N -1 3 364.449 3.140 20 0 FGADHM COc1cc(-c2nc(-c3ccnc(N4CCCC4)c3)no2)cc(OC)c1[O-] ZINC000436688209 501188615 /nfs/dbraw/zinc/18/86/15/501188615.db2.gz KVUXKEHDEMJHKK-UHFFFAOYSA-N -1 3 368.393 3.122 20 0 FGADHM COc1cc(-c2nc(-c3ccc(N(C)C)c(F)c3)no2)cc(OC)c1[O-] ZINC000436689526 501188818 /nfs/dbraw/zinc/18/88/18/501188818.db2.gz OGLGNUBBEAJUGR-UHFFFAOYSA-N -1 3 359.357 3.332 20 0 FGADHM Cc1cc(CN2CCSCC2)ccc1NC(=O)C(=O)c1ccc([O-])cc1 ZINC000436690337 501189573 /nfs/dbraw/zinc/18/95/73/501189573.db2.gz UHMUPJWFLBTQOR-UHFFFAOYSA-N -1 3 370.474 3.071 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N2CCc3ccc(Cl)cc3C2)c([O-])c1 ZINC000436695195 501190692 /nfs/dbraw/zinc/19/06/92/501190692.db2.gz FEFWOUJLOJTMJY-UHFFFAOYSA-N -1 3 372.852 3.059 20 0 FGADHM C[C@@H](C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1)c1ccccc1F ZINC000436700156 501191294 /nfs/dbraw/zinc/19/12/94/501191294.db2.gz XWOZHZJXCCHGBN-CQSZACIVSA-N -1 3 370.424 3.056 20 0 FGADHM O=C(N[C@@H](CO)Cc1c[nH]c2ccccc12)c1cc2c(cc1[O-])CCCC2 ZINC000436706550 501193245 /nfs/dbraw/zinc/19/32/45/501193245.db2.gz RUQFTJLHMSSCNZ-QGZVFWFLSA-N -1 3 364.445 3.086 20 0 FGADHM O=C(NCc1ccncc1OCc1ccccc1)c1c([O-])cccc1O ZINC000436711260 501194115 /nfs/dbraw/zinc/19/41/15/501194115.db2.gz FZCXKYWLLUFFTD-UHFFFAOYSA-N -1 3 350.374 3.002 20 0 FGADHM COc1ccc([O-])c(C(=O)N2CCC[C@H]2c2cc(OC)ccc2OC)c1 ZINC000436719397 501196126 /nfs/dbraw/zinc/19/61/26/501196126.db2.gz APPSSEBOARRPRZ-KRWDZBQOSA-N -1 3 357.406 3.395 20 0 FGADHM Cc1noc(C(C)(C)NC(=O)c2cc(Cc3ccccc3)ccc2[O-])n1 ZINC000436726154 501198040 /nfs/dbraw/zinc/19/80/40/501198040.db2.gz WPHSEVGUXAXOCE-UHFFFAOYSA-N -1 3 351.406 3.340 20 0 FGADHM COc1c(NC(=O)c2ccc([O-])c(C)c2)cc(Cl)cc1C(=O)N(C)C ZINC000436730241 501198587 /nfs/dbraw/zinc/19/85/87/501198587.db2.gz KINAWPDQLOEPQO-UHFFFAOYSA-N -1 3 362.813 3.317 20 0 FGADHM COc1cccc(C(=O)NCc2ccc(Br)cc2OC)c1[O-] ZINC000436730453 501199071 /nfs/dbraw/zinc/19/90/71/501199071.db2.gz LJFABCOJCKESCJ-UHFFFAOYSA-N -1 3 366.211 3.102 20 0 FGADHM CCC(CC)Oc1ccc(C(=O)NCc2nnc(C(F)(F)F)[n-]2)cc1 ZINC000450748467 501199447 /nfs/dbraw/zinc/19/94/47/501199447.db2.gz TYLQSWPIAMFARP-UHFFFAOYSA-N -1 3 356.348 3.321 20 0 FGADHM CCC(CC)Oc1ccc(C(=O)NCc2n[n-]c(C(F)(F)F)n2)cc1 ZINC000450748467 501199450 /nfs/dbraw/zinc/19/94/50/501199450.db2.gz TYLQSWPIAMFARP-UHFFFAOYSA-N -1 3 356.348 3.321 20 0 FGADHM CCC(CC)Oc1ccc(C(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000450748467 501199454 /nfs/dbraw/zinc/19/94/54/501199454.db2.gz TYLQSWPIAMFARP-UHFFFAOYSA-N -1 3 356.348 3.321 20 0 FGADHM CC(C)c1ccc(C(=O)N2CCN(C(=O)NC3CCCCC3)CC2)c([O-])c1 ZINC000436734969 501200507 /nfs/dbraw/zinc/20/05/07/501200507.db2.gz BYXKKTPDPANGBV-UHFFFAOYSA-N -1 3 373.497 3.316 20 0 FGADHM CC(C)[C@H](CCc1ccccc1)C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000436736319 501200954 /nfs/dbraw/zinc/20/09/54/501200954.db2.gz GJAXJRGRJMBDFT-FQEVSTJZSA-N -1 3 368.477 3.143 20 0 FGADHM Cc1ccc([C@H](CC(=O)OC(C)C)NC(=O)c2ccc(O)cc2[O-])cc1 ZINC000436737118 501200961 /nfs/dbraw/zinc/20/09/61/501200961.db2.gz IHJIMPVEXMTBCV-KRWDZBQOSA-N -1 3 357.406 3.219 20 0 FGADHM Cc1ccc(C(=O)N[C@@H](C)c2cc(F)ccc2N2CCN(C)CC2)c([O-])c1 ZINC000436739877 501201239 /nfs/dbraw/zinc/20/12/39/501201239.db2.gz QTUJMXZDFLZXJB-HNNXBMFYSA-N -1 3 371.456 3.083 20 0 FGADHM CCc1ccc(C(=O)Nc2cccc(NC(=O)CN(CC)CC)c2)c([O-])c1 ZINC000436742501 501202634 /nfs/dbraw/zinc/20/26/34/501202634.db2.gz WMAPHOOTVXKYIT-UHFFFAOYSA-N -1 3 369.465 3.487 20 0 FGADHM O=C(NCc1ccnc(N2CCCC2)c1)c1cc2c(cc1[O-])CCCC2 ZINC000436753330 501205098 /nfs/dbraw/zinc/20/50/98/501205098.db2.gz DRDJJOLXQTVILW-UHFFFAOYSA-N -1 3 351.450 3.196 20 0 FGADHM CCOc1c(Cl)cccc1CN1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436768163 501207434 /nfs/dbraw/zinc/20/74/34/501207434.db2.gz DPKAMMLWZDGOBU-UHFFFAOYSA-N -1 3 374.868 3.402 20 0 FGADHM CCOc1ccccc1[C@@H](Cc1nc(-c2ccc([O-])cc2)no1)NC(C)=O ZINC000436770692 501208271 /nfs/dbraw/zinc/20/82/71/501208271.db2.gz SSESJZPBVKJPQE-QGZVFWFLSA-N -1 3 367.405 3.261 20 0 FGADHM O=c1oc2cc(Cl)ccc2n1CCc1nc(-c2ccc([O-])cc2)no1 ZINC000436768904 501208389 /nfs/dbraw/zinc/20/83/89/501208389.db2.gz LRQGIAAMHWDQCG-UHFFFAOYSA-N -1 3 357.753 3.246 20 0 FGADHM O=C(Nc1cccc2c1CNC2=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436769850 501208468 /nfs/dbraw/zinc/20/84/68/501208468.db2.gz JSZKSDAXSNAQRA-UHFFFAOYSA-N -1 3 374.396 3.467 20 0 FGADHM CN(C)[C@H](CNC(=O)c1ccc2c(c1[O-])OC(C)(C)C2)c1cccc(F)c1 ZINC000436772214 501208941 /nfs/dbraw/zinc/20/89/41/501208941.db2.gz DBCNSXCUDIVVTG-QGZVFWFLSA-N -1 3 372.440 3.278 20 0 FGADHM COc1cc(-c2noc(C[C@H](NC(C)=O)c3ccc(C)cc3)n2)ccc1[O-] ZINC000436782064 501210722 /nfs/dbraw/zinc/21/07/22/501210722.db2.gz AVOAEFHHVBMFMU-INIZCTEOSA-N -1 3 367.405 3.179 20 0 FGADHM Cc1nn(C)c(Oc2cccnc2)c1NC(=O)c1ccc(C)c(C)c1[O-] ZINC000436791361 501212318 /nfs/dbraw/zinc/21/23/18/501212318.db2.gz JCCNHANUIIRYHB-UHFFFAOYSA-N -1 3 352.394 3.491 20 0 FGADHM CC(C)(C)OC(=O)[C@@H]1CCCN(C(=O)c2cc3c(cc2[O-])CCCC3)C1 ZINC000436802321 501213661 /nfs/dbraw/zinc/21/36/61/501213661.db2.gz ZSOKRNCAVRYYLL-MRXNPFEDSA-N -1 3 359.466 3.465 20 0 FGADHM CCCN(C)[C@@H](CNC(=O)C(=O)c1ccc([O-])cc1)c1ccc(Cl)cc1 ZINC000436816487 501215778 /nfs/dbraw/zinc/21/57/78/501215778.db2.gz DRZZAUXKSLVOAQ-SFHVURJKSA-N -1 3 374.868 3.428 20 0 FGADHM C[C@@H](CCCC(F)(F)F)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436820368 501216204 /nfs/dbraw/zinc/21/62/04/501216204.db2.gz HLBAHGZWRSJLRB-JSGCOSHPSA-N -1 3 372.387 3.234 20 0 FGADHM CCc1ccc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(F)cc2)c([O-])c1 ZINC000436820130 501216365 /nfs/dbraw/zinc/21/63/65/501216365.db2.gz KVKSUQOQTSXNHE-MRXNPFEDSA-N -1 3 374.437 3.248 20 0 FGADHM COc1cc(OC)cc(N(C)C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)c1 ZINC000436822092 501217049 /nfs/dbraw/zinc/21/70/49/501217049.db2.gz RMUJJLOINXHQQA-UHFFFAOYSA-N -1 3 357.406 3.400 20 0 FGADHM COC(=O)[C@H](NC(=O)c1cccc(C)c1[O-])c1ccc(Cl)c(F)c1 ZINC000436838687 501219499 /nfs/dbraw/zinc/21/94/99/501219499.db2.gz NFZYMXVIVRTKDS-CQSZACIVSA-N -1 3 351.761 3.137 20 0 FGADHM CN(C)[C@@H](CNC(=O)c1ccccc1[O-])c1cccc(C(F)(F)F)c1 ZINC000436842370 501220060 /nfs/dbraw/zinc/22/00/60/501220060.db2.gz DDYOFGALHNAQJS-HNNXBMFYSA-N -1 3 352.356 3.444 20 0 FGADHM COCCN1C(=O)CCc2cc(NC(=O)c3ccc(C)c(C)c3[O-])ccc21 ZINC000436842217 501220159 /nfs/dbraw/zinc/22/01/59/501220159.db2.gz WIXJNBUFKMRXOC-UHFFFAOYSA-N -1 3 368.433 3.187 20 0 FGADHM Cc1cc(NC(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)ccc1F ZINC000436872377 501225003 /nfs/dbraw/zinc/22/50/03/501225003.db2.gz WEAJEFJNMFTLHB-UHFFFAOYSA-N -1 3 371.412 3.266 20 0 FGADHM COC(=O)c1nc(NC(=O)c2cc(C)cc(OC)c2[O-])sc1C1CC1 ZINC000436878839 501225929 /nfs/dbraw/zinc/22/59/29/501225929.db2.gz DUDWHNFHMIJJFA-UHFFFAOYSA-N -1 3 362.407 3.082 20 0 FGADHM O=C(CSCc1noc(-c2ccccc2[O-])n1)Nc1ccc(F)cc1 ZINC000436883201 501226541 /nfs/dbraw/zinc/22/65/41/501226541.db2.gz BOJDEXKYDCVKGW-UHFFFAOYSA-N -1 3 359.382 3.453 20 0 FGADHM CN(C)CCOc1ccccc1CNC(=O)c1ccc2ccccc2c1[O-] ZINC000436883892 501227133 /nfs/dbraw/zinc/22/71/33/501227133.db2.gz CRTIFRWPKCZNTQ-UHFFFAOYSA-N -1 3 364.445 3.416 20 0 FGADHM COCC(=O)Nc1ccc(-c2noc(-c3ccc(C)c(C)c3[O-])n2)cc1 ZINC000436886659 501227185 /nfs/dbraw/zinc/22/71/85/501227185.db2.gz HUNDXAKRVJWDJJ-UHFFFAOYSA-N -1 3 353.378 3.311 20 0 FGADHM COc1cccc([C@H]2[C@H](NC(=O)c3cc(F)ccc3[O-])CCN2C2CC2)c1 ZINC000436884928 501227195 /nfs/dbraw/zinc/22/71/95/501227195.db2.gz BJCLCJAKRRUBQH-QUCCMNQESA-N -1 3 370.424 3.248 20 0 FGADHM CCC[C@@H](NC(=O)[C@H](C)N1CCC(c2n[n-]c(=O)o2)CC1)c1ccccc1 ZINC000450913462 501228812 /nfs/dbraw/zinc/22/88/12/501228812.db2.gz JGLJKULRVCRASG-WMLDXEAASA-N -1 3 372.469 3.001 20 0 FGADHM Cc1cccc(C(=O)N[C@H](CO)c2ccccc2OC(F)(F)F)c1[O-] ZINC000436913731 501232111 /nfs/dbraw/zinc/23/21/11/501232111.db2.gz JQYQINXWSWIKGS-CYBMUJFWSA-N -1 3 355.312 3.063 20 0 FGADHM COc1cccc(C(=O)Nc2nnc(Cc3ccc(C)cc3)s2)c1[O-] ZINC000436926224 501233611 /nfs/dbraw/zinc/23/36/11/501233611.db2.gz LCPRVNLJRHGAKH-UHFFFAOYSA-N -1 3 355.419 3.404 20 0 FGADHM COc1cc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])c(C)cc1C ZINC000436926254 501233996 /nfs/dbraw/zinc/23/39/96/501233996.db2.gz JBBNRAOKVMCGOL-QGZVFWFLSA-N -1 3 368.433 3.261 20 0 FGADHM Cc1csc(S(=O)(=O)[N-]C[C@H](c2cccs2)N2CCCC2)c1 ZINC000450986974 501237208 /nfs/dbraw/zinc/23/72/08/501237208.db2.gz JBWVVFBDWGPVEM-CYBMUJFWSA-N -1 3 356.538 3.233 20 0 FGADHM O=S(=O)([N-][C@@H]1CCN2CCCC[C@H]12)c1sc2ccccc2c1Cl ZINC000451051552 501242046 /nfs/dbraw/zinc/24/20/46/501242046.db2.gz CFDXACBARCHWGK-CHWSQXEVSA-N -1 3 370.927 3.460 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)c1cnn(-c2ccc(Cl)cc2)c1C)C(F)F ZINC000451082452 501244051 /nfs/dbraw/zinc/24/40/51/501244051.db2.gz NYXNRNYYKAPVKB-LBPRGKRZSA-N -1 3 363.817 3.156 20 0 FGADHM CCOc1ccncc1S(=O)(=O)[N-][C@@H](CC(F)(F)F)c1ccccc1 ZINC000451093029 501245116 /nfs/dbraw/zinc/24/51/16/501245116.db2.gz VJFSEWAVHYYLHO-ZDUSSCGKSA-N -1 3 374.384 3.452 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)c1cnccc1C)c1nc(C(F)(F)F)cs1 ZINC000451274706 501256904 /nfs/dbraw/zinc/25/69/04/501256904.db2.gz QBOQODQBXOBHFI-VIFPVBQESA-N -1 3 365.402 3.295 20 0 FGADHM O=C1C[C@H](c2noc(Cc3ccc([O-])c(F)c3)n2)CN1Cc1ccccc1 ZINC000453153449 501280235 /nfs/dbraw/zinc/28/02/35/501280235.db2.gz CXYVOZRTKYLWEV-HNNXBMFYSA-N -1 3 367.380 3.021 20 0 FGADHM CCOc1cc(-c2noc(C[C@@H](CNC(C)=O)CC(C)C)n2)ccc1[O-] ZINC000453164401 501282623 /nfs/dbraw/zinc/28/26/23/501282623.db2.gz NZJMSKACPAGDGQ-AWEZNQCLSA-N -1 3 361.442 3.182 20 0 FGADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H](c1ncc[nH]1)C(C)C ZINC000451545159 501319019 /nfs/dbraw/zinc/31/90/19/501319019.db2.gz GTLXTSDCSGKXSB-AWEZNQCLSA-N -1 3 351.403 3.279 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]C[C@H]2CCCCC2(F)F)c(Cl)c1 ZINC000451639222 501341728 /nfs/dbraw/zinc/34/17/28/501341728.db2.gz KMRQSGNPDMOTPI-SNVBAGLBSA-N -1 3 353.818 3.452 20 0 FGADHM CC[C@@H]([N-]S(=O)(=O)c1cc(C(C)C)ccc1Cl)[C@@H](O)C(F)F ZINC000451703570 501356040 /nfs/dbraw/zinc/35/60/40/501356040.db2.gz FJPSCKWVCGIMLV-DGCLKSJQSA-N -1 3 355.834 3.146 20 0 FGADHM Cc1ncsc1CC[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000451791716 501372961 /nfs/dbraw/zinc/37/29/61/501372961.db2.gz ZBQSDMXJETUIPL-UHFFFAOYSA-N -1 3 351.280 3.279 20 0 FGADHM CC[C@](C)(C[N-]S(=O)(=O)c1ccc(Cl)cc1Br)OC ZINC000451795910 501373847 /nfs/dbraw/zinc/37/38/47/501373847.db2.gz KAKNCMZXJIDUFT-GFCCVEGCSA-N -1 3 370.696 3.196 20 0 FGADHM O=S(=O)([N-]CC1(CF)CCOCC1)c1cccc(Cl)c1Cl ZINC000451813456 501377884 /nfs/dbraw/zinc/37/78/84/501377884.db2.gz JAOYUIGYLKDMTR-UHFFFAOYSA-N -1 3 356.246 3.038 20 0 FGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@](C)(OC)c1ccccc1 ZINC000451832837 501381971 /nfs/dbraw/zinc/38/19/71/501381971.db2.gz YFFCRVDQAJMOOF-KRWDZBQOSA-N -1 3 369.870 3.189 20 0 FGADHM Cc1cc(NC(=O)c2cc(F)c([O-])c(F)c2)ccc1OCCN(C)C ZINC000458208882 501393979 /nfs/dbraw/zinc/39/39/79/501393979.db2.gz KRPCWNZCQDDUCZ-UHFFFAOYSA-N -1 3 350.365 3.172 20 0 FGADHM COc1cccc([C@@H]2C[C@H]2[N-]S(=O)(=O)c2cc(OC)ccc2Cl)c1 ZINC000451966298 501410651 /nfs/dbraw/zinc/41/06/51/501410651.db2.gz OITIYMRBOPFBDB-GOEBONIOSA-N -1 3 367.854 3.192 20 0 FGADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]C[C@@H]1C[C@H]1C1CC1 ZINC000452052604 501425589 /nfs/dbraw/zinc/42/55/89/501425589.db2.gz ZVSBLHLUMVWZRM-AAEUAGOBSA-N -1 3 365.476 3.012 20 0 FGADHM COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)[N-][C@@H](C)C1CCCC1 ZINC000452071127 501428614 /nfs/dbraw/zinc/42/86/14/501428614.db2.gz QOHYJUINFMKQSX-JTQLQIEISA-N -1 3 374.890 3.164 20 0 FGADHM COc1cc(OC)c(C[C@H](C)NC(=O)c2ccc([O-])c(C)c2)c(OC)c1 ZINC000456112128 501457266 /nfs/dbraw/zinc/45/72/66/501457266.db2.gz UUXCWIVKOIUMAY-ZDUSSCGKSA-N -1 3 359.422 3.087 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N3CCC4(CCC(O)CC4)CC3)c[n-]c12 ZINC000452259195 501468483 /nfs/dbraw/zinc/46/84/83/501468483.db2.gz COVBUAYYTRNCRX-UHFFFAOYSA-N -1 3 372.440 3.133 20 0 FGADHM COc1cc(C(=O)N2CCc3c(Cl)cc(F)cc3C2)cc(OC)c1[O-] ZINC000452321230 501477449 /nfs/dbraw/zinc/47/74/49/501477449.db2.gz XZLRRMAAKNOLRP-UHFFFAOYSA-N -1 3 365.788 3.400 20 0 FGADHM C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)N1C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000458645470 501497050 /nfs/dbraw/zinc/49/70/50/501497050.db2.gz DEWWPHJIOQVVBL-XLPZGREQSA-N -1 3 373.301 3.084 20 0 FGADHM C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)N1C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000458645470 501497052 /nfs/dbraw/zinc/49/70/52/501497052.db2.gz DEWWPHJIOQVVBL-XLPZGREQSA-N -1 3 373.301 3.084 20 0 FGADHM C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)N1C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000458645470 501497056 /nfs/dbraw/zinc/49/70/56/501497056.db2.gz DEWWPHJIOQVVBL-XLPZGREQSA-N -1 3 373.301 3.084 20 0 FGADHM CCO[C@@H]1CCN(C(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)C[C@H]1C ZINC000454324273 501513846 /nfs/dbraw/zinc/51/38/46/501513846.db2.gz VMAXTGCBZGJCOL-FZKQIMNGSA-N -1 3 370.453 3.436 20 0 FGADHM CC[C@H]1CCC[C@@H]1CNC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000452517722 501517254 /nfs/dbraw/zinc/51/72/54/501517254.db2.gz DIWKOTOCXPFPLS-DOTOQJQBSA-N -1 3 368.481 3.015 20 0 FGADHM Cc1nc(C)c(C(=O)Nc2c(C)c(Br)ccc2[O-])nc1C ZINC000452756102 501557596 /nfs/dbraw/zinc/55/75/96/501557596.db2.gz NPPKYVPVEJXNOV-UHFFFAOYSA-N -1 3 350.216 3.431 20 0 FGADHM COC(=O)[C@H]1CCC[C@H](C(=O)Nc2c([O-])ccc(Br)c2C)C1 ZINC000452756150 501557619 /nfs/dbraw/zinc/55/76/19/501557619.db2.gz OIVBLWAQYZRDTP-QWRGUYRKSA-N -1 3 370.243 3.381 20 0 FGADHM CO[C@H]1C[C@H](N(C)C(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)C12CCC2 ZINC000456640224 501564357 /nfs/dbraw/zinc/56/43/57/501564357.db2.gz ODFVHQVPTAKPTN-HOTGVXAUSA-N -1 3 358.413 3.005 20 0 FGADHM CO[C@@H]1CCN(C(=O)c2cc(OCc3ccccc3)ccc2[O-])C[C@@H]1C ZINC000452890418 501580983 /nfs/dbraw/zinc/58/09/83/501580983.db2.gz QKKJFZIJWOWWGE-MGPUTAFESA-N -1 3 355.434 3.468 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)NCC(C)(C)C3(O)CCCC3)c[n-]c12 ZINC000456865524 501612250 /nfs/dbraw/zinc/61/22/50/501612250.db2.gz WYAGTTCITLNPFY-UHFFFAOYSA-N -1 3 360.429 3.037 20 0 FGADHM C[C@H](NC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)[C@H]1CCC[C@@H](C)C1 ZINC000456992403 501631591 /nfs/dbraw/zinc/63/15/91/501631591.db2.gz GEXWMUBQBWLGSR-AGIUHOORSA-N -1 3 356.463 3.142 20 0 FGADHM [O-]c1cccc(CN2CCC[C@@H]2[C@H](O)C(F)(F)F)c1Br ZINC000459338961 501634251 /nfs/dbraw/zinc/63/42/51/501634251.db2.gz SOLFGWSKPLCSLY-SKDRFNHKSA-N -1 3 354.166 3.042 20 0 FGADHM COc1nnccc1[N-]C(=O)c1ncoc1-c1cccc(C(F)(F)F)c1 ZINC000582512735 506265305 /nfs/dbraw/zinc/26/53/05/506265305.db2.gz UIVVPUDAOSYJGX-UHFFFAOYSA-N -1 3 364.283 3.411 20 0 FGADHM CC1(CNC(=O)c2sccc2S(=O)(=O)[N-]C2CCCCCC2)CC1 ZINC000477638202 501746215 /nfs/dbraw/zinc/74/62/15/501746215.db2.gz UQSVINKDLAHQGR-UHFFFAOYSA-N -1 3 370.540 3.279 20 0 FGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)[C@@H](C)c2ccccc2)s1 ZINC000474217210 501747729 /nfs/dbraw/zinc/74/77/29/501747729.db2.gz YAPYJUDRYUUYTI-NEPJUHHUSA-N -1 3 353.465 3.005 20 0 FGADHM CC(C)(C)OC(=O)[C@H]1CCCN1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000474232635 501754257 /nfs/dbraw/zinc/75/42/57/501754257.db2.gz PIMRKHUTYQEAQB-CYBMUJFWSA-N -1 3 369.421 3.388 20 0 FGADHM CCCN1CCN(C(=O)CCc2c(C)nc(C)[n-]c2=O)c2ccc(F)cc21 ZINC000481373137 501755998 /nfs/dbraw/zinc/75/59/98/501755998.db2.gz MURBEEBQVNJACG-UHFFFAOYSA-N -1 3 372.444 3.134 20 0 FGADHM CCOC(=O)c1ccc(NC(=O)c2ccn(Cc3ccccc3)n2)c([O-])c1 ZINC000477700877 501763513 /nfs/dbraw/zinc/76/35/13/501763513.db2.gz KGMVUSJZFUPUHG-UHFFFAOYSA-N -1 3 365.389 3.066 20 0 FGADHM O=C(Nc1cc(Br)ccc1[O-])[C@@H](O)Cc1ccccc1Cl ZINC000477706243 501764796 /nfs/dbraw/zinc/76/47/96/501764796.db2.gz VFFSKUSMRKVUOZ-AWEZNQCLSA-N -1 3 370.630 3.350 20 0 FGADHM Cc1ccccc1[C@@H](NC(=O)c1cn(C)c(=O)[n-]c1=O)C1CCC(C)CC1 ZINC000602715606 506272405 /nfs/dbraw/zinc/27/24/05/506272405.db2.gz IEGUWJZGKYTLSO-RWKZGTHUSA-N -1 3 369.465 3.092 20 0 FGADHM COc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2COc3ccc(Cl)cc32)c1 ZINC000474305280 501783904 /nfs/dbraw/zinc/78/39/04/501783904.db2.gz UUEKVUMOIGMERI-CYBMUJFWSA-N -1 3 374.245 3.414 20 0 FGADHM O=C(Nc1nnc(-c2c(F)cccc2F)[n-]1)c1ccnc(OC2CCC2)c1 ZINC000485325453 501788724 /nfs/dbraw/zinc/78/87/24/501788724.db2.gz XPUBCKOBYHNQRS-UHFFFAOYSA-N -1 3 371.347 3.329 20 0 FGADHM O=C(Nc1nc(-c2c(F)cccc2F)n[n-]1)c1ccnc(OC2CCC2)c1 ZINC000485325453 501788728 /nfs/dbraw/zinc/78/87/28/501788728.db2.gz XPUBCKOBYHNQRS-UHFFFAOYSA-N -1 3 371.347 3.329 20 0 FGADHM O=C(Nc1n[n-]c(-c2c(F)cccc2F)n1)c1ccnc(OC2CCC2)c1 ZINC000485325453 501788735 /nfs/dbraw/zinc/78/87/35/501788735.db2.gz XPUBCKOBYHNQRS-UHFFFAOYSA-N -1 3 371.347 3.329 20 0 FGADHM COc1cc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)ccc1OC(C)C ZINC000463785665 501820862 /nfs/dbraw/zinc/82/08/62/501820862.db2.gz FVOLVUAWQLGQMP-UHFFFAOYSA-N -1 3 363.435 3.218 20 0 FGADHM COCc1nc(S[C@H](C)c2nc3sc(C)c(C)c3c(N)n2)n[n-]1 ZINC000474401769 501823399 /nfs/dbraw/zinc/82/33/99/501823399.db2.gz HGVLOVFTQLBEHZ-MRVPVSSYSA-N -1 3 350.473 3.008 20 0 FGADHM CCOC(=O)c1c(C2CC2)csc1[N-]C(=O)C(=O)N(C)[C@@H](C)C(C)C ZINC000467630025 501835668 /nfs/dbraw/zinc/83/56/68/501835668.db2.gz PTXOVTDAYDUVEP-NSHDSACASA-N -1 3 366.483 3.244 20 0 FGADHM CCCN(C(=O)C(=O)[N-]c1scc(C(C)C)c1C(=O)OCC)C1CC1 ZINC000467639686 501837851 /nfs/dbraw/zinc/83/78/51/501837851.db2.gz WOVSIWOJCVDLQC-UHFFFAOYSA-N -1 3 366.483 3.388 20 0 FGADHM CC(C)(C)C(=O)Nc1nccnc1C(=O)[N-]c1cc(F)c(F)cc1F ZINC000463861896 501841912 /nfs/dbraw/zinc/84/19/12/501841912.db2.gz SUDIVVCOKTTWEB-UHFFFAOYSA-N -1 3 352.316 3.131 20 0 FGADHM COc1ccc(C(=O)N=c2cc(-c3cc(F)cc(F)c3)[n-][nH]2)cc1OC ZINC000467711502 501851297 /nfs/dbraw/zinc/85/12/97/501851297.db2.gz TVIJBSUEXUJXDJ-UHFFFAOYSA-N -1 3 359.332 3.046 20 0 FGADHM CCOc1ccccc1OCC(=O)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1 ZINC000467715785 501851610 /nfs/dbraw/zinc/85/16/10/501851610.db2.gz XYEFYJDVZKKPOZ-UHFFFAOYSA-N -1 3 373.359 3.193 20 0 FGADHM C[C@@H](NCCCNC(=O)c1cccc([O-])c1)c1nc(C(F)(F)F)cs1 ZINC000467732318 501856147 /nfs/dbraw/zinc/85/61/47/501856147.db2.gz GFFBGNBOXWOPSG-SNVBAGLBSA-N -1 3 373.400 3.338 20 0 FGADHM Cc1ccncc1CN(C)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000474544659 501871663 /nfs/dbraw/zinc/87/16/63/501871663.db2.gz YUBMYXRHLNBPKA-UHFFFAOYSA-N -1 3 364.243 3.200 20 0 FGADHM Cc1ccc([C@H]2OCCC[C@@H]2[N-]S(=O)(=O)c2cc(F)cc(F)c2)cc1 ZINC000467792525 501874697 /nfs/dbraw/zinc/87/46/97/501874697.db2.gz HAKCMUSNOQXYJK-ZWKOTPCHSA-N -1 3 367.417 3.472 20 0 FGADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)[C@H](c2ccccc2)N(C)C)c(F)cc1F ZINC000474575550 501882093 /nfs/dbraw/zinc/88/20/93/501882093.db2.gz GCZVUYHWIFJKKQ-SCLBCKFNSA-N -1 3 368.449 3.243 20 0 FGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)Cc1cccc(Cl)c1F ZINC000485686620 501901661 /nfs/dbraw/zinc/90/16/61/501901661.db2.gz KDCMYNRBSQXOJK-UHFFFAOYSA-N -1 3 356.806 3.032 20 0 FGADHM O=C(NCc1ncccc1[O-])Nc1ccc(OCCc2ccccc2)nc1 ZINC000467903881 501902889 /nfs/dbraw/zinc/90/28/89/501902889.db2.gz KWMQAGPPBFYTTM-UHFFFAOYSA-N -1 3 364.405 3.125 20 0 FGADHM CCCCc1nc(C(=O)OCC)c(NC(=O)Cc2c(F)cccc2F)[n-]1 ZINC000485705634 501909339 /nfs/dbraw/zinc/90/93/39/501909339.db2.gz QBLBDFDDZKTLOE-UHFFFAOYSA-N -1 3 365.380 3.388 20 0 FGADHM CCCCc1nc(NC(=O)Cc2c(F)cccc2F)c(C(=O)OCC)[n-]1 ZINC000485705634 501909342 /nfs/dbraw/zinc/90/93/42/501909342.db2.gz QBLBDFDDZKTLOE-UHFFFAOYSA-N -1 3 365.380 3.388 20 0 FGADHM Cc1nn(C(C)(C)C)cc1[C@@H](C)[N-]S(=O)(=O)c1cccc(C)c1F ZINC000464183591 501916104 /nfs/dbraw/zinc/91/61/04/501916104.db2.gz DLQGNHIJSWKCMH-CYBMUJFWSA-N -1 3 353.463 3.434 20 0 FGADHM COc1cc([N-]C(=O)c2cc(-c3ccccc3C(F)(F)F)on2)ncn1 ZINC000464189793 501917428 /nfs/dbraw/zinc/91/74/28/501917428.db2.gz SMUPWIYHHCWZMJ-UHFFFAOYSA-N -1 3 364.283 3.411 20 0 FGADHM COc1ccccc1C(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000464205404 501922231 /nfs/dbraw/zinc/92/22/31/501922231.db2.gz IQANBBKTRSWFTF-UHFFFAOYSA-N -1 3 374.245 3.163 20 0 FGADHM O=C1CCc2cc(S(=O)(=O)[N-]CCC3=CCCCCC3)c(F)cc2N1 ZINC000464214320 501923914 /nfs/dbraw/zinc/92/39/14/501923914.db2.gz OKKUINRMRXOVTG-UHFFFAOYSA-N -1 3 366.458 3.269 20 0 FGADHM Cc1ccc([C@H]2CCN(C(=O)N=c3cc(OC(F)F)n(C)[n-]3)C2)c(C)c1 ZINC000467998748 501925693 /nfs/dbraw/zinc/92/56/93/501925693.db2.gz RRIMTTBVYZSUOG-ZDUSSCGKSA-N -1 3 364.396 3.082 20 0 FGADHM COC(=O)c1oc(CNCc2cc([O-])ccc2Br)cc1C ZINC000602741445 506282108 /nfs/dbraw/zinc/28/21/08/506282108.db2.gz CLPDAIJEXCYPTQ-UHFFFAOYSA-N -1 3 354.200 3.133 20 0 FGADHM CC[C@H](C(=O)NCc1ccc(S(=O)(=O)[N-]C)s1)C1CCC(C)CC1 ZINC000460847184 501936977 /nfs/dbraw/zinc/93/69/77/501936977.db2.gz PHMJNAJXXHSHJO-PIMMBPRGSA-N -1 3 372.556 3.125 20 0 FGADHM C[C@@H]1CCCC[C@@H]1OCC(=O)Nc1nnc(-c2c(F)cccc2F)[n-]1 ZINC000478316010 501940404 /nfs/dbraw/zinc/94/04/04/501940404.db2.gz QMWVCKRFEGFOIC-MFKMUULPSA-N -1 3 350.369 3.284 20 0 FGADHM C[C@@H]1CCCC[C@@H]1OCC(=O)Nc1nc(-c2c(F)cccc2F)n[n-]1 ZINC000478316010 501940409 /nfs/dbraw/zinc/94/04/09/501940409.db2.gz QMWVCKRFEGFOIC-MFKMUULPSA-N -1 3 350.369 3.284 20 0 FGADHM C[C@@H]1CCCC[C@@H]1OCC(=O)Nc1n[n-]c(-c2c(F)cccc2F)n1 ZINC000478316010 501940411 /nfs/dbraw/zinc/94/04/11/501940411.db2.gz QMWVCKRFEGFOIC-MFKMUULPSA-N -1 3 350.369 3.284 20 0 FGADHM CC[C@H](OC1CCCC1)C(=O)Nc1nnc(-c2c(F)cccc2F)[n-]1 ZINC000478318844 501941104 /nfs/dbraw/zinc/94/11/04/501941104.db2.gz YLPOPIOFSUJJRM-ZDUSSCGKSA-N -1 3 350.369 3.426 20 0 FGADHM CC[C@H](OC1CCCC1)C(=O)Nc1nc(-c2c(F)cccc2F)n[n-]1 ZINC000478318844 501941106 /nfs/dbraw/zinc/94/11/06/501941106.db2.gz YLPOPIOFSUJJRM-ZDUSSCGKSA-N -1 3 350.369 3.426 20 0 FGADHM CC[C@H](OC1CCCC1)C(=O)Nc1n[n-]c(-c2c(F)cccc2F)n1 ZINC000478318844 501941109 /nfs/dbraw/zinc/94/11/09/501941109.db2.gz YLPOPIOFSUJJRM-ZDUSSCGKSA-N -1 3 350.369 3.426 20 0 FGADHM CCOc1nc2cc(C(=O)N[C@@H](c3nc(C4CC4)no3)C(C)C)ccc2[n-]1 ZINC000468091427 501952824 /nfs/dbraw/zinc/95/28/24/501952824.db2.gz HLHSJNRDGJKOSN-OAHLLOKOSA-N -1 3 369.425 3.349 20 0 FGADHM CCOc1nc2ccc(C(=O)N[C@@H](c3nc(C4CC4)no3)C(C)C)cc2[n-]1 ZINC000468091427 501952831 /nfs/dbraw/zinc/95/28/31/501952831.db2.gz HLHSJNRDGJKOSN-OAHLLOKOSA-N -1 3 369.425 3.349 20 0 FGADHM CCc1ncc(S(=O)(=O)[N-][C@H]2CCOc3c(CC)cccc32)s1 ZINC000460959054 501970643 /nfs/dbraw/zinc/97/06/43/501970643.db2.gz JJVKYFOHRZKTFV-ZDUSSCGKSA-N -1 3 352.481 3.070 20 0 FGADHM Cc1ccc(CNC(=O)N=c2cc3ccc(Br)cn3[n-]2)s1 ZINC000482110800 501978007 /nfs/dbraw/zinc/97/80/07/501978007.db2.gz BDCLTWCKARZCJX-UHFFFAOYSA-N -1 3 365.256 3.210 20 0 FGADHM CSCCCCCNC(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482115271 501978467 /nfs/dbraw/zinc/97/84/67/501978467.db2.gz SSBPEDNOQKVXMP-UHFFFAOYSA-N -1 3 371.304 3.174 20 0 FGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)N(CC1CC1)CC1CC1 ZINC000482141333 501987827 /nfs/dbraw/zinc/98/78/27/501987827.db2.gz MHWLXLJZMZVSIZ-UHFFFAOYSA-N -1 3 363.259 3.173 20 0 FGADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)Nc1cccc(Oc2ccncc2)c1 ZINC000482144450 501988809 /nfs/dbraw/zinc/98/88/09/501988809.db2.gz VXPSYLZAPPTYBB-UHFFFAOYSA-N -1 3 374.356 3.402 20 0 FGADHM C[C@@]1(c2cccc(NC(=O)c3cccc4ccsc43)c2)NC(=O)[N-]C1=O ZINC000464437535 501990572 /nfs/dbraw/zinc/99/05/72/501990572.db2.gz IFTKTTGMDLJDFI-IBGZPJMESA-N -1 3 365.414 3.208 20 0 FGADHM Cc1c(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)cnc2ccccc12 ZINC000482158936 501993066 /nfs/dbraw/zinc/99/30/66/501993066.db2.gz VNCJAYDRZSQYNM-UHFFFAOYSA-N -1 3 355.419 3.167 20 0 FGADHM O=C(CNC(=O)c1cccc([O-])c1)N(C1CC1)[C@@H]1CCCc2ccccc21 ZINC000471377072 502003960 /nfs/dbraw/zinc/00/39/60/502003960.db2.gz HSFLJADMJVGMPJ-HXUWFJFHSA-N -1 3 364.445 3.191 20 0 FGADHM CSCC[C@@H](C)N(C)C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482209424 502008493 /nfs/dbraw/zinc/00/84/93/502008493.db2.gz LAISMBCBMHKYQF-SNVBAGLBSA-N -1 3 371.304 3.124 20 0 FGADHM CCC(=O)c1ccc(Cl)c([N-]C(=O)c2ccc(S(C)(=O)=O)o2)c1 ZINC000471399873 502012977 /nfs/dbraw/zinc/01/29/77/502012977.db2.gz YNSUMCVEULCEMV-UHFFFAOYSA-N -1 3 355.799 3.182 20 0 FGADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)c1ccc(OC2CCCCC2)cc1 ZINC000482231962 502013799 /nfs/dbraw/zinc/01/37/99/502013799.db2.gz YDTXODGJKVCKAT-UHFFFAOYSA-N -1 3 368.359 3.465 20 0 FGADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)c1ccc(OC2CCCCC2)cc1 ZINC000482231962 502013803 /nfs/dbraw/zinc/01/38/03/502013803.db2.gz YDTXODGJKVCKAT-UHFFFAOYSA-N -1 3 368.359 3.465 20 0 FGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1ccc(OC2CCCCC2)cc1 ZINC000482231962 502013810 /nfs/dbraw/zinc/01/38/10/502013810.db2.gz YDTXODGJKVCKAT-UHFFFAOYSA-N -1 3 368.359 3.465 20 0 FGADHM CC(C)=CCOc1cccc(C(=O)NCc2nnc(C(F)(F)F)[n-]2)c1 ZINC000482245921 502019324 /nfs/dbraw/zinc/01/93/24/502019324.db2.gz RAPCYUAZDAVLFV-UHFFFAOYSA-N -1 3 354.332 3.099 20 0 FGADHM CC(C)=CCOc1cccc(C(=O)NCc2n[n-]c(C(F)(F)F)n2)c1 ZINC000482245921 502019329 /nfs/dbraw/zinc/01/93/29/502019329.db2.gz RAPCYUAZDAVLFV-UHFFFAOYSA-N -1 3 354.332 3.099 20 0 FGADHM CC(C)=CCOc1cccc(C(=O)NCc2nc(C(F)(F)F)n[n-]2)c1 ZINC000482245921 502019334 /nfs/dbraw/zinc/01/93/34/502019334.db2.gz RAPCYUAZDAVLFV-UHFFFAOYSA-N -1 3 354.332 3.099 20 0 FGADHM CC[C@H](Oc1ccccc1C(C)C)C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000482249666 502019817 /nfs/dbraw/zinc/01/98/17/502019817.db2.gz ZMAKZDIJXCYUSH-LBPRGKRZSA-N -1 3 370.375 3.421 20 0 FGADHM CC[C@H](Oc1ccccc1C(C)C)C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000482249666 502019820 /nfs/dbraw/zinc/01/98/20/502019820.db2.gz ZMAKZDIJXCYUSH-LBPRGKRZSA-N -1 3 370.375 3.421 20 0 FGADHM CC[C@H](Oc1ccccc1C(C)C)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000482249666 502019822 /nfs/dbraw/zinc/01/98/22/502019822.db2.gz ZMAKZDIJXCYUSH-LBPRGKRZSA-N -1 3 370.375 3.421 20 0 FGADHM C[C@H]1[C@@H](Cc2ccccc2)CCN1C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000475034088 502028576 /nfs/dbraw/zinc/02/85/76/502028576.db2.gz MKMRJNAGVXMETO-DZGCQCFKSA-N -1 3 363.417 3.055 20 0 FGADHM [O-]c1ccc(Cc2nc(-c3cccc(-n4cccn4)n3)no2)c(Cl)c1 ZINC000486081491 502039696 /nfs/dbraw/zinc/03/96/96/502039696.db2.gz NEADVIQZNFPZEM-UHFFFAOYSA-N -1 3 353.769 3.267 20 0 FGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCO[C@@H](CC(C)C)C1 ZINC000486085333 502042363 /nfs/dbraw/zinc/04/23/63/502042363.db2.gz DRDVNYYJGKEIQI-KGLIPLIRSA-N -1 3 361.891 3.221 20 0 FGADHM CC(=O)c1ccc(C(=O)N=c2nc(-c3ccccc3Cl)[n-]n2C)c(F)c1 ZINC000461237753 502048012 /nfs/dbraw/zinc/04/80/12/502048012.db2.gz JYNWCWGPIBVDHK-UHFFFAOYSA-N -1 3 372.787 3.151 20 0 FGADHM Cn1[n-]c(-c2ccccc2Cl)nc1=NC(=O)c1ccc(C2CC2)cn1 ZINC000461235104 502048124 /nfs/dbraw/zinc/04/81/24/502048124.db2.gz LKUZKWZKYNRUNC-UHFFFAOYSA-N -1 3 353.813 3.082 20 0 FGADHM COC(=O)c1cc(F)cc([N-]S(=O)(=O)c2cccc(Cl)c2)c1F ZINC000478704773 502063138 /nfs/dbraw/zinc/06/31/38/502063138.db2.gz PQEZATYXUNMBOJ-UHFFFAOYSA-N -1 3 361.753 3.206 20 0 FGADHM CC(C)c1cc(C(=O)N2C[C@@H](C)S(=O)(=O)[C@H](C)C2)c([O-])c(C(C)C)c1 ZINC000461359076 502082226 /nfs/dbraw/zinc/08/22/26/502082226.db2.gz JEWYFXZQODDXFL-ZIAGYGMSSA-N -1 3 367.511 3.287 20 0 FGADHM COc1cc(C(=O)NCc2c(C)nn(Cc3ccccc3)c2C)ccc1[O-] ZINC000464783668 502093987 /nfs/dbraw/zinc/09/39/87/502093987.db2.gz NXQXCBKGQPVZRQ-UHFFFAOYSA-N -1 3 365.433 3.192 20 0 FGADHM COc1cc([C@H](C)NC(=O)NCc2ncccc2[O-])ccc1OCC(C)C ZINC000471654061 502100223 /nfs/dbraw/zinc/10/02/23/502100223.db2.gz MBPHJHNSIBILFJ-AWEZNQCLSA-N -1 3 373.453 3.391 20 0 FGADHM O=C(CCCc1ccc([O-])c(F)c1)Nc1ccc(CN2CCOCC2)cc1 ZINC000468558325 502106155 /nfs/dbraw/zinc/10/61/55/502106155.db2.gz AYYIFSKAOTWLTR-UHFFFAOYSA-N -1 3 372.440 3.325 20 0 FGADHM COc1ccc(CC[N-]S(=O)(=O)c2cc(C)c(F)cc2Cl)cc1 ZINC000471690080 502109358 /nfs/dbraw/zinc/10/93/58/502109358.db2.gz WWLSEGMYILULHC-UHFFFAOYSA-N -1 3 357.834 3.317 20 0 FGADHM O=C(Nc1cc2c(cc1Cl)OCCO2)c1c[n-]nc1-c1ccncc1 ZINC000471693509 502110162 /nfs/dbraw/zinc/11/01/62/502110162.db2.gz PKOJGMYYNRWFHT-UHFFFAOYSA-N -1 3 356.769 3.149 20 0 FGADHM O=C(Nc1cc2c(cc1Cl)OCCO2)c1cn[n-]c1-c1ccncc1 ZINC000471693509 502110165 /nfs/dbraw/zinc/11/01/65/502110165.db2.gz PKOJGMYYNRWFHT-UHFFFAOYSA-N -1 3 356.769 3.149 20 0 FGADHM Cn1ccc(CNCc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)c1 ZINC000482556865 502110323 /nfs/dbraw/zinc/11/03/23/502110323.db2.gz AKKRNIHXCIQPGX-UHFFFAOYSA-N -1 3 373.453 3.255 20 0 FGADHM CN(C)C(=O)C[C@@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1ccccc1 ZINC000468608198 502123197 /nfs/dbraw/zinc/12/31/97/502123197.db2.gz LKBMHDFHJUQKOF-GOSISDBHSA-N -1 3 372.440 3.190 20 0 FGADHM O=C(Nc1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1F)C1CCCC1 ZINC000461468565 502125834 /nfs/dbraw/zinc/12/58/34/502125834.db2.gz CGJUDPGUWJRKMH-UHFFFAOYSA-N -1 3 360.838 3.049 20 0 FGADHM CCC[C@@H](NC(=O)c1[nH]c(=O)[n-]c(=O)c1N)c1ccc(Cl)c(Cl)c1 ZINC000468634059 502132595 /nfs/dbraw/zinc/13/25/95/502132595.db2.gz ZKQPSOXDQIAXMQ-SNVBAGLBSA-N -1 3 371.224 3.048 20 0 FGADHM Cc1nc(-c2ccc(CCNC(=O)NCc3ncccc3[O-])cc2)cs1 ZINC000471772946 502133526 /nfs/dbraw/zinc/13/35/26/502133526.db2.gz PKNRDOVPKTZPRJ-UHFFFAOYSA-N -1 3 368.462 3.261 20 0 FGADHM COCCSc1ccc([C@@H](C)NC(=O)NCc2ncccc2[O-])cc1 ZINC000471805470 502141666 /nfs/dbraw/zinc/14/16/66/502141666.db2.gz SGRWCPVHDBHOLT-CYBMUJFWSA-N -1 3 361.467 3.086 20 0 FGADHM CCc1cc(C(=O)N2CCN(C(=O)Nc3ccc(C)cc3)CC2)ccc1[O-] ZINC000486410982 502146631 /nfs/dbraw/zinc/14/66/31/502146631.db2.gz RNYWTRHYZSMKMT-UHFFFAOYSA-N -1 3 367.449 3.253 20 0 FGADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)N[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000482672568 502147451 /nfs/dbraw/zinc/14/74/51/502147451.db2.gz NBZKGYLZPJFVDX-LBPRGKRZSA-N -1 3 373.766 3.427 20 0 FGADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)N[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000482672568 502147457 /nfs/dbraw/zinc/14/74/57/502147457.db2.gz NBZKGYLZPJFVDX-LBPRGKRZSA-N -1 3 373.766 3.427 20 0 FGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000482672568 502147462 /nfs/dbraw/zinc/14/74/62/502147462.db2.gz NBZKGYLZPJFVDX-LBPRGKRZSA-N -1 3 373.766 3.427 20 0 FGADHM C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)NCc1ncccc1[O-] ZINC000471862629 502157914 /nfs/dbraw/zinc/15/79/14/502157914.db2.gz CQHJABLJEYVSPU-NSHDSACASA-N -1 3 353.344 3.236 20 0 FGADHM Cc1cc2[nH]ncc2cc1[N-]S(=O)(=O)c1ccccc1OC(F)F ZINC000479112983 502167601 /nfs/dbraw/zinc/16/76/01/502167601.db2.gz CAAAYAXZXFHZKG-UHFFFAOYSA-N -1 3 353.350 3.274 20 0 FGADHM COc1cc(C)c(S(=O)(=O)[N-][C@@](C)(C2CC2)C(F)(F)F)cc1OC ZINC000479126714 502171052 /nfs/dbraw/zinc/17/10/52/502171052.db2.gz CRUYJSLFHMMPEW-AWEZNQCLSA-N -1 3 367.389 3.022 20 0 FGADHM CC(=O)c1cc(F)c([N-]S(=O)(=O)c2c(F)cccc2F)c(F)c1F ZINC000479153565 502177605 /nfs/dbraw/zinc/17/76/05/502177605.db2.gz IEYGPEAXVUQMFD-UHFFFAOYSA-N -1 3 365.279 3.386 20 0 FGADHM CCC[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)OCC)o1)c1ccccc1 ZINC000479178031 502184433 /nfs/dbraw/zinc/18/44/33/502184433.db2.gz GBZBKXCURZAYLE-CQSZACIVSA-N -1 3 351.424 3.276 20 0 FGADHM COc1cc(S(=O)(=O)[N-]Cc2ccccc2C(F)(F)F)ccc1F ZINC000468796970 502186677 /nfs/dbraw/zinc/18/66/77/502186677.db2.gz BPFGPMIWIABHKR-UHFFFAOYSA-N -1 3 363.332 3.332 20 0 FGADHM COC(=O)[C@@H](C[C@H]1CCCc2ccccc21)NC(=O)c1cccc([O-])c1 ZINC000461744206 502188082 /nfs/dbraw/zinc/18/80/82/502188082.db2.gz CXJCBTGJXFFOAG-DNVCBOLYSA-N -1 3 353.418 3.174 20 0 FGADHM CCNC(=O)Nc1cccc(NC(=O)c2cc(-c3ccco3)[n-]n2)c1C ZINC000468812685 502192256 /nfs/dbraw/zinc/19/22/56/502192256.db2.gz DQKYNZAYAJJAIO-UHFFFAOYSA-N -1 3 353.382 3.372 20 0 FGADHM CCNC(=O)Nc1cccc(NC(=O)c2cc(-c3ccco3)n[n-]2)c1C ZINC000468812685 502192260 /nfs/dbraw/zinc/19/22/60/502192260.db2.gz DQKYNZAYAJJAIO-UHFFFAOYSA-N -1 3 353.382 3.372 20 0 FGADHM CN(C(=O)CCCc1ccc([O-])c(F)c1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000468824055 502195690 /nfs/dbraw/zinc/19/56/90/502195690.db2.gz DTCVCTOZLPRRLC-GOSISDBHSA-N -1 3 370.424 3.118 20 0 FGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]CCc1cc(F)ccc1F ZINC000486580358 502198062 /nfs/dbraw/zinc/19/80/62/502198062.db2.gz IIMZFPQPFGWSNX-UHFFFAOYSA-N -1 3 361.797 3.148 20 0 FGADHM O=S(=O)([N-]C[C@H](CO)CC1CCCC1)c1c(Cl)cccc1Cl ZINC000461796171 502205671 /nfs/dbraw/zinc/20/56/71/502205671.db2.gz NPUPAHCUAQLYPP-GFCCVEGCSA-N -1 3 366.310 3.461 20 0 FGADHM Cc1cccc(Br)c1C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000486612050 502209027 /nfs/dbraw/zinc/20/90/27/502209027.db2.gz OCQPLYCIDFMTDI-UHFFFAOYSA-N -1 3 372.226 3.114 20 0 FGADHM Cc1cccc(Br)c1C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000486612050 502209028 /nfs/dbraw/zinc/20/90/28/502209028.db2.gz OCQPLYCIDFMTDI-UHFFFAOYSA-N -1 3 372.226 3.114 20 0 FGADHM Cn1ccnc1C[C@H]1CCCN(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000468867650 502211811 /nfs/dbraw/zinc/21/18/11/502211811.db2.gz GJPVPEOJQJDIER-MRXNPFEDSA-N -1 3 359.445 3.069 20 0 FGADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]C[C@H]2CCC[C@@H]2C)cc1Cl ZINC000461850859 502214476 /nfs/dbraw/zinc/21/44/76/502214476.db2.gz MJWGPCMFWKUNRM-GXSJLCMTSA-N -1 3 362.854 3.152 20 0 FGADHM C[C@H](CC(C)(C)c1ccccc1)NC(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000482914741 502215200 /nfs/dbraw/zinc/21/52/00/502215200.db2.gz CGEJPQVZTYGSHF-LLVKDONJSA-N -1 3 369.391 3.379 20 0 FGADHM C[C@H](CC(C)(C)c1ccccc1)NC(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000482914741 502215204 /nfs/dbraw/zinc/21/52/04/502215204.db2.gz CGEJPQVZTYGSHF-LLVKDONJSA-N -1 3 369.391 3.379 20 0 FGADHM C[C@H](CC(C)(C)c1ccccc1)NC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000482914741 502215210 /nfs/dbraw/zinc/21/52/10/502215210.db2.gz CGEJPQVZTYGSHF-LLVKDONJSA-N -1 3 369.391 3.379 20 0 FGADHM Cc1cccc(F)c1S(=O)(=O)[N-]CCCOCCc1ccccc1 ZINC000475576271 502217368 /nfs/dbraw/zinc/21/73/68/502217368.db2.gz SWHDIPROGPUOKY-UHFFFAOYSA-N -1 3 351.443 3.062 20 0 FGADHM Cc1ccc2[nH]c3c(c2c1)C[C@@H]([N-]S(=O)(=O)c1ccccc1F)CC3 ZINC000486647920 502219364 /nfs/dbraw/zinc/21/93/64/502219364.db2.gz YAJDAZQPLMNOKV-ZDUSSCGKSA-N -1 3 358.438 3.451 20 0 FGADHM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1)c1ccc(C)c(C)c1 ZINC000468894612 502221028 /nfs/dbraw/zinc/22/10/28/502221028.db2.gz JGAQCBOEAIXNFR-MRXNPFEDSA-N -1 3 367.854 3.149 20 0 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358.348 3.250 20 0 FGADHM CO[C@@](C)(C(=O)Nc1n[n-]c(-c2c(F)cccc2F)n1)c1ccccc1 ZINC000483146458 502290817 /nfs/dbraw/zinc/29/08/17/502290817.db2.gz SIBIISWFHJCWEP-GOSISDBHSA-N -1 3 358.348 3.250 20 0 FGADHM CC[C@@H](Oc1ccccc1Cl)C(=O)[N-]c1nc(C)nn1-c1ccccc1 ZINC000479575960 502302466 /nfs/dbraw/zinc/30/24/66/502302466.db2.gz GMMQQGREZOLMAD-MRXNPFEDSA-N -1 3 370.840 3.447 20 0 FGADHM CC1(C)C[C@H](NC(=O)NCc2nnc(C(F)(F)F)[n-]2)c2ccccc21 ZINC000483176439 502303637 /nfs/dbraw/zinc/30/36/37/502303637.db2.gz OAFOZCRPEAVWNH-NSHDSACASA-N -1 3 353.348 3.045 20 0 FGADHM CC1(C)C[C@H](NC(=O)NCc2n[n-]c(C(F)(F)F)n2)c2ccccc21 ZINC000483176439 502303644 /nfs/dbraw/zinc/30/36/44/502303644.db2.gz OAFOZCRPEAVWNH-NSHDSACASA-N -1 3 353.348 3.045 20 0 FGADHM CC1(C)C[C@H](NC(=O)NCc2nc(C(F)(F)F)n[n-]2)c2ccccc21 ZINC000483176439 502303648 /nfs/dbraw/zinc/30/36/48/502303648.db2.gz OAFOZCRPEAVWNH-NSHDSACASA-N -1 3 353.348 3.045 20 0 FGADHM CC(C)[C@@H]1OCCC[C@H]1C[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000462096103 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FGADHM C[C@@H]1CCCc2ccccc2[C@@H]1NC(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000483312730 502348044 /nfs/dbraw/zinc/34/80/44/502348044.db2.gz IBHWCYKFMRJEQU-QMTHXVAHSA-N -1 3 367.375 3.336 20 0 FGADHM C[C@@H]1CCCc2ccccc2[C@@H]1NC(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000483312730 502348049 /nfs/dbraw/zinc/34/80/49/502348049.db2.gz IBHWCYKFMRJEQU-QMTHXVAHSA-N -1 3 367.375 3.336 20 0 FGADHM C[C@@H]1CCCc2ccccc2[C@@H]1NC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000483312730 502348053 /nfs/dbraw/zinc/34/80/53/502348053.db2.gz IBHWCYKFMRJEQU-QMTHXVAHSA-N -1 3 367.375 3.336 20 0 FGADHM COc1ccccc1N1CC[C@@H](NC(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000469285893 502361881 /nfs/dbraw/zinc/36/18/81/502361881.db2.gz ZNMNVEUQHJMZMO-MRXNPFEDSA-N -1 3 372.440 3.258 20 0 FGADHM CCOC(=O)[C@H](CCOC(C)(C)C)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000472496511 502369331 /nfs/dbraw/zinc/36/93/31/502369331.db2.gz IGQPQVJVZCVUEX-KRWDZBQOSA-N -1 3 373.449 3.412 20 0 FGADHM O=S(=O)([N-][C@@H]1CCOc2c(F)ccc(F)c21)c1cc(F)cc(F)c1 ZINC000462281886 502378847 /nfs/dbraw/zinc/37/88/47/502378847.db2.gz YAMLGFRJBVBHCB-CYBMUJFWSA-N -1 3 361.316 3.045 20 0 FGADHM O=S(=O)([N-][C@@H]1CCOc2c(F)ccc(F)c21)c1ccc(Cl)s1 ZINC000462295500 502382838 /nfs/dbraw/zinc/38/28/38/502382838.db2.gz IYQZRLVDKGIVDY-SECBINFHSA-N -1 3 365.810 3.482 20 0 FGADHM CCc1ccc([C@H](COC)[N-]S(=O)(=O)c2c(C)cc(C)cc2C)o1 ZINC000462310705 502387938 /nfs/dbraw/zinc/38/79/38/502387938.db2.gz GYFVZWQBFUYCNK-INIZCTEOSA-N -1 3 351.468 3.433 20 0 FGADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)c1cc(F)ccc1-c1ccoc1 ZINC000472573823 502388090 /nfs/dbraw/zinc/38/80/90/502388090.db2.gz JYCOXXGJFSOOEL-UHFFFAOYSA-N -1 3 354.263 3.153 20 0 FGADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)c1cc(F)ccc1-c1ccoc1 ZINC000472573823 502388097 /nfs/dbraw/zinc/38/80/97/502388097.db2.gz JYCOXXGJFSOOEL-UHFFFAOYSA-N -1 3 354.263 3.153 20 0 FGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1cc(F)ccc1-c1ccoc1 ZINC000472573823 502388100 /nfs/dbraw/zinc/38/81/00/502388100.db2.gz JYCOXXGJFSOOEL-UHFFFAOYSA-N -1 3 354.263 3.153 20 0 FGADHM CCC(CC)c1cc(C[N-]S(=O)(=O)c2cc(OC)ccc2OC)on1 ZINC000462394637 502419716 /nfs/dbraw/zinc/41/97/16/502419716.db2.gz FVNABWBYEGOVGT-UHFFFAOYSA-N -1 3 368.455 3.074 20 0 FGADHM CCc1ncc(S(=O)(=O)[N-][C@H](COC)c2ccc(Cl)cc2)s1 ZINC000487331858 502419722 /nfs/dbraw/zinc/41/97/22/502419722.db2.gz AMFQUSGVCJSDFH-GFCCVEGCSA-N -1 3 360.888 3.025 20 0 FGADHM CC[C@](C)(OC)C(=O)N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1 ZINC000479933801 502422640 /nfs/dbraw/zinc/42/26/40/502422640.db2.gz UHHUQQKFOZZSBZ-HNNXBMFYSA-N -1 3 370.222 3.154 20 0 FGADHM COC[C@@H]([N-]S(=O)(=O)c1cc(F)cc(F)c1)c1ccc(Cl)cc1 ZINC000487363322 502426499 /nfs/dbraw/zinc/42/64/99/502426499.db2.gz JCCPILFCHHFLPZ-OAHLLOKOSA-N -1 3 361.797 3.284 20 0 FGADHM CC(C)c1ccc(CN(C)C(=O)NCc2nnc(C(F)(F)F)[n-]2)cc1 ZINC000483544225 502426791 /nfs/dbraw/zinc/42/67/91/502426791.db2.gz NZBJVONTPKQGFH-UHFFFAOYSA-N -1 3 355.364 3.289 20 0 FGADHM CC(C)c1ccc(CN(C)C(=O)NCc2n[n-]c(C(F)(F)F)n2)cc1 ZINC000483544225 502426795 /nfs/dbraw/zinc/42/67/95/502426795.db2.gz NZBJVONTPKQGFH-UHFFFAOYSA-N -1 3 355.364 3.289 20 0 FGADHM CC(C)c1ccc(CN(C)C(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000483544225 502426797 /nfs/dbraw/zinc/42/67/97/502426797.db2.gz NZBJVONTPKQGFH-UHFFFAOYSA-N -1 3 355.364 3.289 20 0 FGADHM COC(=O)c1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc(F)cc2F)c1 ZINC000476245556 502427771 /nfs/dbraw/zinc/42/77/71/502427771.db2.gz GPMAXEQSXPIJOA-UHFFFAOYSA-N -1 3 355.362 3.169 20 0 FGADHM Cc1ccc([C@@H]2OCCC[C@H]2NC(=O)c2c[n-]c3ccccc3c2=O)cc1 ZINC000480007455 502443427 /nfs/dbraw/zinc/44/34/27/502443427.db2.gz AXVZERSDQAPVDJ-CTNGQTDRSA-N -1 3 362.429 3.487 20 0 FGADHM Cc1ccc(-c2nc(CNC(=O)NCc3ccc([O-])c(F)c3)co2)cc1 ZINC000465994323 502448224 /nfs/dbraw/zinc/44/82/24/502448224.db2.gz ZQRVISFHXJOFOG-UHFFFAOYSA-N -1 3 355.369 3.494 20 0 FGADHM CCOc1c(Cl)cccc1CC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000480030748 502452955 /nfs/dbraw/zinc/45/29/55/502452955.db2.gz RVOHXLXNQKMWMS-UHFFFAOYSA-N -1 3 357.801 3.100 20 0 FGADHM CCOc1c(Cl)cccc1CC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000480030748 502452957 /nfs/dbraw/zinc/45/29/57/502452957.db2.gz RVOHXLXNQKMWMS-UHFFFAOYSA-N -1 3 357.801 3.100 20 0 FGADHM CC(=O)Nc1ccc(Cl)c(C(=O)N=c2cc(-c3ccccc3)[n-][nH]2)c1 ZINC000487485920 502457035 /nfs/dbraw/zinc/45/70/35/502457035.db2.gz FWLISPMTCVFWCR-UHFFFAOYSA-N -1 3 354.797 3.363 20 0 FGADHM Cc1cccc(F)c1S(=O)(=O)[N-]CCc1c[nH]c2cc(F)ccc12 ZINC000476340188 502462124 /nfs/dbraw/zinc/46/21/24/502462124.db2.gz GWEVKQOHSFQTKQ-UHFFFAOYSA-N -1 3 350.390 3.276 20 0 FGADHM CC1(C)[C@H]([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)[C@H]2CCCO[C@H]21 ZINC000462494524 502463106 /nfs/dbraw/zinc/46/31/06/502463106.db2.gz ATPYHCZQDATERX-MGPQQGTHSA-N -1 3 364.294 3.475 20 0 FGADHM Cc1cccc(F)c1S(=O)(=O)[N-]C(C)(C)CCC(=O)OC(C)(C)C ZINC000476341380 502463320 /nfs/dbraw/zinc/46/33/20/502463320.db2.gz LGBKDMBRFFIGTR-UHFFFAOYSA-N -1 3 359.463 3.313 20 0 FGADHM CSc1c(C(=O)[N-]c2nnc(Cc3ccc(C)cc3)s2)cnn1C ZINC000480090265 502470291 /nfs/dbraw/zinc/47/02/91/502470291.db2.gz VQGVUBSUVDECDG-UHFFFAOYSA-N -1 3 359.480 3.145 20 0 FGADHM CCc1cc(C(=O)N(Cc2ccccc2)C[C@@]2(O)CCO[C@@H]2C)ccc1[O-] ZINC000487550864 502476505 /nfs/dbraw/zinc/47/65/05/502476505.db2.gz KXBJZNHIGFZDSV-ZHRRBRCNSA-N -1 3 369.461 3.137 20 0 FGADHM CC(C)(C(=O)Nc1nnc(-c2c(F)cccc2F)[n-]1)C1CCOCC1 ZINC000480118464 502477435 /nfs/dbraw/zinc/47/74/35/502477435.db2.gz VXYSMHNXEQNFJN-UHFFFAOYSA-N -1 3 350.369 3.141 20 0 FGADHM CC(C)(C(=O)Nc1nc(-c2c(F)cccc2F)n[n-]1)C1CCOCC1 ZINC000480118464 502477437 /nfs/dbraw/zinc/47/74/37/502477437.db2.gz VXYSMHNXEQNFJN-UHFFFAOYSA-N -1 3 350.369 3.141 20 0 FGADHM CC(C)(C(=O)Nc1n[n-]c(-c2c(F)cccc2F)n1)C1CCOCC1 ZINC000480118464 502477440 /nfs/dbraw/zinc/47/74/40/502477440.db2.gz VXYSMHNXEQNFJN-UHFFFAOYSA-N -1 3 350.369 3.141 20 0 FGADHM CCOc1nc2cc(C(=O)N3CCO[C@H](c4cccc(F)c4)C3)ccc2[n-]1 ZINC000469657214 502493613 /nfs/dbraw/zinc/49/36/13/502493613.db2.gz YVCGRGQERLVWMU-SFHVURJKSA-N -1 3 369.396 3.314 20 0 FGADHM CCOc1nc2ccc(C(=O)N3CCO[C@H](c4cccc(F)c4)C3)cc2[n-]1 ZINC000469657214 502493618 /nfs/dbraw/zinc/49/36/18/502493618.db2.gz YVCGRGQERLVWMU-SFHVURJKSA-N -1 3 369.396 3.314 20 0 FGADHM COc1ccc(O[C@H](C)C[N-]S(=O)(=O)c2ccc(F)cc2Cl)cc1 ZINC000462608023 502505973 /nfs/dbraw/zinc/50/59/73/502505973.db2.gz SZFDKBQCTLQRCI-LLVKDONJSA-N -1 3 373.833 3.234 20 0 FGADHM Cc1ccc([O-])c(CNCc2ccc(I)c(C)c2)n1 ZINC000466363525 502548244 /nfs/dbraw/zinc/54/82/44/502548244.db2.gz INHWGDHEPOBOAA-UHFFFAOYSA-N -1 3 368.218 3.298 20 0 FGADHM COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)N=c2cc(-c3ccccc3)[n-][nH]2)c1 ZINC000473140132 502526292 /nfs/dbraw/zinc/52/62/92/502526292.db2.gz CJIGQLBSIFPMMD-DOTOQJQBSA-N -1 3 363.417 3.258 20 0 FGADHM O=C(N1CCN(Cc2cc([O-])cc(F)c2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000473141161 502526859 /nfs/dbraw/zinc/52/68/59/502526859.db2.gz FRSXQBWNNHGOJK-UHFFFAOYSA-N -1 3 372.484 3.392 20 0 FGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)Cc2cc3ccccc3o2)c1 ZINC000607915201 506319091 /nfs/dbraw/zinc/31/90/91/506319091.db2.gz HMSIJTNOFMDFBA-UHFFFAOYSA-N -1 3 358.419 3.294 20 0 FGADHM Cc1ccc(Br)c(S(=O)(=O)[N-]C[C@H](C)C(F)(F)F)c1 ZINC000476600896 502538679 /nfs/dbraw/zinc/53/86/79/502538679.db2.gz JNTDBJMUXCJYBN-QMMMGPOBSA-N -1 3 360.195 3.234 20 0 FGADHM COC(=O)c1csc(S(=O)(=O)[N-][C@H](C)Cc2cc(C)cc(C)c2)c1 ZINC000462699867 502539253 /nfs/dbraw/zinc/53/92/53/502539253.db2.gz LRRNUFKOQJWBJK-CYBMUJFWSA-N -1 3 367.492 3.061 20 0 FGADHM CC(C)COc1cccc(NC(=O)NCc2nnc(C(F)(F)F)[n-]2)c1 ZINC000480372051 502550152 /nfs/dbraw/zinc/55/01/52/502550152.db2.gz WXSTZMCKTBEUOZ-UHFFFAOYSA-N -1 3 357.336 3.180 20 0 FGADHM CC(C)COc1cccc(NC(=O)NCc2n[n-]c(C(F)(F)F)n2)c1 ZINC000480372051 502550159 /nfs/dbraw/zinc/55/01/59/502550159.db2.gz WXSTZMCKTBEUOZ-UHFFFAOYSA-N -1 3 357.336 3.180 20 0 FGADHM CC(C)COc1cccc(NC(=O)NCc2nc(C(F)(F)F)n[n-]2)c1 ZINC000480372051 502550161 /nfs/dbraw/zinc/55/01/61/502550161.db2.gz WXSTZMCKTBEUOZ-UHFFFAOYSA-N -1 3 357.336 3.180 20 0 FGADHM CCOC(=O)c1cnc(C)c(NC(=O)CCCc2ccc([O-])c(F)c2)c1 ZINC000469815613 502556373 /nfs/dbraw/zinc/55/63/73/502556373.db2.gz HIPMQGVBKNAUMC-UHFFFAOYSA-N -1 3 360.385 3.373 20 0 FGADHM O=C(C[C@@H](c1cccs1)n1cccc1)Nc1nnc(C(F)(F)F)[n-]1 ZINC000473276386 502556590 /nfs/dbraw/zinc/55/65/90/502556590.db2.gz YLUNLHVCBNKMLA-VIFPVBQESA-N -1 3 355.345 3.305 20 0 FGADHM O=C(C[C@@H](c1cccs1)n1cccc1)Nc1nc(C(F)(F)F)n[n-]1 ZINC000473276386 502556592 /nfs/dbraw/zinc/55/65/92/502556592.db2.gz YLUNLHVCBNKMLA-VIFPVBQESA-N -1 3 355.345 3.305 20 0 FGADHM Cc1ccccc1OCCN(C)C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000484090863 502567296 /nfs/dbraw/zinc/56/72/96/502567296.db2.gz GAKXCWNDESAUJF-UHFFFAOYSA-N -1 3 372.371 3.266 20 0 FGADHM Cc1c2ccccc2n(C)c1C[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000480444588 502571013 /nfs/dbraw/zinc/57/10/13/502571013.db2.gz MHOTUNBUEBENMO-UHFFFAOYSA-N -1 3 368.380 3.383 20 0 FGADHM CCc1c([N-]C(=O)c2n[nH]c(=O)c3ccccc32)onc1C(F)(F)F ZINC000476720258 502571747 /nfs/dbraw/zinc/57/17/47/502571747.db2.gz SFPUMYNHJTYSOQ-UHFFFAOYSA-N -1 3 352.272 3.157 20 0 FGADHM Cc1ccc(-n2cccn2)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000473430943 502592328 /nfs/dbraw/zinc/59/23/28/502592328.db2.gz QYEFXWSBLAUTFQ-UHFFFAOYSA-N -1 3 369.446 3.307 20 0 FGADHM O=S(=O)([N-][C@H]1COc2ccc(F)cc21)c1ccccc1C(F)(F)F ZINC000466527185 502597838 /nfs/dbraw/zinc/59/78/38/502597838.db2.gz DTLNVJNCITWMRJ-LBPRGKRZSA-N -1 3 361.316 3.257 20 0 FGADHM CN(CCc1cccc(Br)c1)C(=O)c1ccc2n[n-]nc2c1 ZINC000462848541 502598458 /nfs/dbraw/zinc/59/84/58/502598458.db2.gz SIISIKZHDZROPB-UHFFFAOYSA-N -1 3 359.227 3.035 20 0 FGADHM Cc1oc2ccccc2c1CNC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000466594130 502618527 /nfs/dbraw/zinc/61/85/27/502618527.db2.gz XOFNQTHQAPBSNY-UHFFFAOYSA-N -1 3 358.419 3.043 20 0 FGADHM Cc1ncc(S(=O)(=O)[N-][C@@H](c2ccc(C)cc2)c2ccccn2)s1 ZINC000480629349 502627499 /nfs/dbraw/zinc/62/74/99/502627499.db2.gz DPLKFBSHUSBNSL-KRWDZBQOSA-N -1 3 359.476 3.223 20 0 FGADHM COCCC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000480631569 502628495 /nfs/dbraw/zinc/62/84/95/502628495.db2.gz PLLCLCZXTDUGKJ-HNNXBMFYSA-N -1 3 369.433 3.281 20 0 FGADHM C[C@H]1[C@H](C(=O)Nc2n[n-]c(-c3ccccc3F)n2)CCN1c1ccccc1 ZINC000476961666 502633687 /nfs/dbraw/zinc/63/36/87/502633687.db2.gz RLLJQPMIHRQLKK-DZGCQCFKSA-N -1 3 365.412 3.464 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)[C@H]3CCc4cccc(OC)c43)[n-]c21 ZINC000484415209 502640076 /nfs/dbraw/zinc/64/00/76/502640076.db2.gz LNWSMQIHSXWXDO-LBPRGKRZSA-N -1 3 365.389 3.027 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@H]3CCc4cccc(OC)c43)nc21 ZINC000484415209 502640081 /nfs/dbraw/zinc/64/00/81/502640081.db2.gz LNWSMQIHSXWXDO-LBPRGKRZSA-N -1 3 365.389 3.027 20 0 FGADHM CNC(=O)c1cc2cc(NC(=O)c3c[n-]nc3-c3ccccc3)ccc2[nH]1 ZINC000473579462 502643462 /nfs/dbraw/zinc/64/34/62/502643462.db2.gz XHCSNMDCBHHFFS-UHFFFAOYSA-N -1 3 359.389 3.170 20 0 FGADHM COc1cc(C(=O)NCc2csc(Br)c2)cc(OC)c1[O-] ZINC000480702713 502647041 /nfs/dbraw/zinc/64/70/41/502647041.db2.gz MOAGFGUKCNMGHP-UHFFFAOYSA-N -1 3 372.240 3.163 20 0 FGADHM CCOC(=O)c1c(C)c2ccccc2nc1CN1CCC[C@H](C)[C@@H]1C(=O)[O-] ZINC000592992165 506326376 /nfs/dbraw/zinc/32/63/76/506326376.db2.gz ZWJAQGRESVZBPW-ORAYPTAESA-N -1 3 370.449 3.405 20 0 FGADHM CCCN(C)S(=O)(=O)[N-]c1ccccc1C(=O)Nc1cccc(C)c1 ZINC000480730500 502654523 /nfs/dbraw/zinc/65/45/23/502654523.db2.gz KHSJQUDCOMRXCE-UHFFFAOYSA-N -1 3 361.467 3.246 20 0 FGADHM Cc1cccc(C[C@@H](CO)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000466728761 502656206 /nfs/dbraw/zinc/65/62/06/502656206.db2.gz KGNZTMVBBKXSAB-AWEZNQCLSA-N -1 3 374.289 3.184 20 0 FGADHM Cc1ccc([O-])c(NC(=O)c2cnnn2-c2c(Cl)cccc2Cl)n1 ZINC000480739120 502658112 /nfs/dbraw/zinc/65/81/12/502658112.db2.gz LUPDLGQKKVEEIF-UHFFFAOYSA-N -1 3 364.192 3.235 20 0 FGADHM O=C(N[C@@H]1CCOc2c(F)ccc(F)c21)c1c[n-]c2ccccc2c1=O ZINC000463011267 502658200 /nfs/dbraw/zinc/65/82/00/502658200.db2.gz OKEOUWTYBIPJRD-OAHLLOKOSA-N -1 3 356.328 3.060 20 0 FGADHM O=C(NCc1ncccc1[O-])C1(c2ccc(Br)cc2)CCC1 ZINC000473637082 502662172 /nfs/dbraw/zinc/66/21/72/502662172.db2.gz AMDSSOKFXJHAQH-UHFFFAOYSA-N -1 3 361.239 3.288 20 0 FGADHM Cc1ccc(C(=O)NCc2ncccc2[O-])cc1NC(=O)c1ccccc1 ZINC000473635095 502662488 /nfs/dbraw/zinc/66/24/88/502662488.db2.gz FERAHHNONZIWHL-UHFFFAOYSA-N -1 3 361.401 3.278 20 0 FGADHM O=C(CCSc1ccc(Br)cc1)NCc1ncccc1[O-] ZINC000473638941 502663443 /nfs/dbraw/zinc/66/34/43/502663443.db2.gz GULAJSZPJDRABY-UHFFFAOYSA-N -1 3 367.268 3.348 20 0 FGADHM CCc1ccc([O-])c(C(=O)Nc2cccc(N3C(=O)CCCC3=O)c2)c1 ZINC000473657149 502669690 /nfs/dbraw/zinc/66/96/90/502669690.db2.gz DHTBQXTWHUXRGI-UHFFFAOYSA-N -1 3 352.390 3.250 20 0 FGADHM C[C@@](O)(C[N-]S(=O)(=O)Cc1cc(Cl)ccc1F)C1CCCCC1 ZINC000480873005 502695346 /nfs/dbraw/zinc/69/53/46/502695346.db2.gz XDSFHPQAOAGLFT-MRXNPFEDSA-N -1 3 363.882 3.230 20 0 FGADHM O=C(Cc1ccc(Br)cc1[O-])N(Cc1cccnc1)C1CC1 ZINC000477187497 502702822 /nfs/dbraw/zinc/70/28/22/502702822.db2.gz BTBADHJPSWKUPK-UHFFFAOYSA-N -1 3 361.239 3.283 20 0 FGADHM Cc1ccc(-c2ncco2)cc1NC(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000480934071 502708711 /nfs/dbraw/zinc/70/87/11/502708711.db2.gz VYKMHXRHVQPFJT-UHFFFAOYSA-N -1 3 366.303 3.109 20 0 FGADHM Cc1ccc(-c2ncco2)cc1NC(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000480934071 502708718 /nfs/dbraw/zinc/70/87/18/502708718.db2.gz VYKMHXRHVQPFJT-UHFFFAOYSA-N -1 3 366.303 3.109 20 0 FGADHM Cc1ccc(-c2ncco2)cc1NC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000480934071 502708721 /nfs/dbraw/zinc/70/87/21/502708721.db2.gz VYKMHXRHVQPFJT-UHFFFAOYSA-N -1 3 366.303 3.109 20 0 FGADHM O=C(Nc1n[n-]c(-c2cc(Cl)ccc2Cl)n1)c1cc[nH]c(=O)c1 ZINC000463165058 502710844 /nfs/dbraw/zinc/71/08/44/502710844.db2.gz MPJUOEOEQCUPIV-UHFFFAOYSA-N -1 3 350.165 3.131 20 0 FGADHM O=S(=O)([N-]c1ccc(F)c(-c2nc[nH]n2)c1)c1ccccc1Cl ZINC000470243190 502714286 /nfs/dbraw/zinc/71/42/86/502714286.db2.gz KVHPCDJIKBLSTJ-UHFFFAOYSA-N -1 3 352.778 3.065 20 0 FGADHM C[C@@H](C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1ccc(Br)cc1 ZINC000473851494 502725055 /nfs/dbraw/zinc/72/50/55/502725055.db2.gz CAELNHOTPRZDJH-YGRLFVJLSA-N -1 3 364.243 3.188 20 0 FGADHM COc1ccc(C(C)(C)C[N-]S(=O)(=O)c2ccc(OC)cc2F)cc1 ZINC000481035157 502735050 /nfs/dbraw/zinc/73/50/50/502735050.db2.gz KGXDOPUIYPJJOP-UHFFFAOYSA-N -1 3 367.442 3.099 20 0 FGADHM COc1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)c2ccncc2)c(F)c1 ZINC000481066077 502745852 /nfs/dbraw/zinc/74/58/52/502745852.db2.gz ZLAIUUHSQCLXKW-LJQANCHMSA-N -1 3 372.421 3.297 20 0 FGADHM COC(=O)c1cnc([N-]C(=O)c2c(F)cc(C(F)(F)F)cc2F)s1 ZINC000463295592 502748210 /nfs/dbraw/zinc/74/82/10/502748210.db2.gz MOWRTJDJMFOABP-UHFFFAOYSA-N -1 3 366.267 3.479 20 0 FGADHM C[C@H](CCc1cccn1C)NC(=O)Cc1ccc(Br)cc1[O-] ZINC000477371279 502757002 /nfs/dbraw/zinc/75/70/02/502757002.db2.gz GZEWWRLELRMPKE-GFCCVEGCSA-N -1 3 365.271 3.173 20 0 FGADHM Cc1ccccc1[C@H]([C@@H](C)[N-]S(=O)(=O)c1c(F)cccc1F)N(C)C ZINC000473943863 502757346 /nfs/dbraw/zinc/75/73/46/502757346.db2.gz IMURJLWIYFDODV-DYVFJYSZSA-N -1 3 368.449 3.243 20 0 FGADHM CC(C)[C@@H]1CN(C(=O)Cc2ccc(Br)cc2[O-])CCS1 ZINC000477372292 502758015 /nfs/dbraw/zinc/75/80/15/502758015.db2.gz IQQWWISFUVOJHQ-AWEZNQCLSA-N -1 3 358.301 3.297 20 0 FGADHM CCc1ccc([C@H](CO)[N-]S(=O)(=O)c2cc(C)c(Cl)s2)cc1 ZINC000473951165 502759901 /nfs/dbraw/zinc/75/99/01/502759901.db2.gz ZQDLJQWTVJVCDX-ZDUSSCGKSA-N -1 3 359.900 3.284 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]Cc2ccnc(OC(C)C)c2)sc1Cl ZINC000473955881 502762285 /nfs/dbraw/zinc/76/22/85/502762285.db2.gz KEEUWAYSPHELTG-UHFFFAOYSA-N -1 3 360.888 3.371 20 0 FGADHM CC(=O)Nc1ccc(C)c(NC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)c1 ZINC000467071946 502779357 /nfs/dbraw/zinc/77/93/57/502779357.db2.gz XWQQRYHDFUMVQS-UHFFFAOYSA-N -1 3 371.343 3.325 20 0 FGADHM CC(=O)Nc1ccc(C)c(NC(=O)c2cnc3c(F)cc(F)cc3c2[O-])c1 ZINC000467071946 502779363 /nfs/dbraw/zinc/77/93/63/502779363.db2.gz XWQQRYHDFUMVQS-UHFFFAOYSA-N -1 3 371.343 3.325 20 0 FGADHM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(Cl)c2F)ccc1C ZINC000467080787 502781862 /nfs/dbraw/zinc/78/18/62/502781862.db2.gz WRZZNTYTLOKBNN-UHFFFAOYSA-N -1 3 357.790 3.375 20 0 FGADHM CC(C)[C@@H](CNC(=O)N=c1cc(OC(F)F)n(C)[n-]1)Cc1ccccc1 ZINC000470495520 502794961 /nfs/dbraw/zinc/79/49/61/502794961.db2.gz UUWHVCDEQMGELT-CQSZACIVSA-N -1 3 366.412 3.080 20 0 FGADHM Cc1ccsc1C[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000500633269 502830222 /nfs/dbraw/zinc/83/02/22/502830222.db2.gz MJFKNYMGAMWQAN-UHFFFAOYSA-N -1 3 364.261 3.437 20 0 FGADHM C[C@@H](COc1cccc(F)c1)[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000488920133 502838400 /nfs/dbraw/zinc/83/84/00/502838400.db2.gz PPKCUVCGRWCZKS-JTQLQIEISA-N -1 3 361.797 3.364 20 0 FGADHM O=S(=O)([N-][C@@H]1C=CCCC1)c1c(Cl)cccc1Br ZINC000509191057 502844880 /nfs/dbraw/zinc/84/48/80/502844880.db2.gz ZBLFFNNXFRLQCH-SECBINFHSA-N -1 3 350.665 3.490 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1cccc2c1OCO2)c1cc2cccc(F)c2o1 ZINC000509233471 502855674 /nfs/dbraw/zinc/85/56/74/502855674.db2.gz KZRKHRJWTALMBG-JTQLQIEISA-N -1 3 363.366 3.340 20 0 FGADHM CN(C)[C@@H](C[N-]S(=O)(=O)c1cc(F)ccc1Cl)c1cccc(F)c1 ZINC000489000853 502856940 /nfs/dbraw/zinc/85/69/40/502856940.db2.gz LIZISLODFLWWEI-HNNXBMFYSA-N -1 3 374.840 3.199 20 0 FGADHM Cc1ccc(NCc2cc([O-])ccc2Br)cc1S(C)(=O)=O ZINC000500793221 502865134 /nfs/dbraw/zinc/86/51/34/502865134.db2.gz NEABRGAGAQUHAY-UHFFFAOYSA-N -1 3 370.268 3.479 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)[C@H]3COc4ccc(Cl)cc43)[n-]c21 ZINC000489036834 502865484 /nfs/dbraw/zinc/86/54/84/502865484.db2.gz GCSITMFYUZPYPB-LBPRGKRZSA-N -1 3 371.780 3.118 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@H]3COc4ccc(Cl)cc43)nc21 ZINC000489036834 502865487 /nfs/dbraw/zinc/86/54/87/502865487.db2.gz GCSITMFYUZPYPB-LBPRGKRZSA-N -1 3 371.780 3.118 20 0 FGADHM Cc1cc(C(=O)N[C@H](C)CCc2ccc(Br)cc2)[n-]c(=O)n1 ZINC000509344236 502878887 /nfs/dbraw/zinc/87/88/87/502878887.db2.gz NUVNRCDZNSLLAW-SNVBAGLBSA-N -1 3 364.243 3.004 20 0 FGADHM Cc1cccc2cc(C(=O)N3CCN(C(=O)c4cccc([O-])c4)CC3)oc21 ZINC000513244935 502888440 /nfs/dbraw/zinc/88/84/40/502888440.db2.gz BVLVFFMQXOUTOM-UHFFFAOYSA-N -1 3 364.401 3.045 20 0 FGADHM O=C(Cc1cccc2ccccc21)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000513261705 502891798 /nfs/dbraw/zinc/89/17/98/502891798.db2.gz KZFISGAFRACLIO-UHFFFAOYSA-N -1 3 374.440 3.073 20 0 FGADHM O=C(Cc1ccccc1)N1CCC[C@H](NC(=O)c2cc([O-])ccc2Cl)C1 ZINC000513299217 502899682 /nfs/dbraw/zinc/89/96/82/502899682.db2.gz SVHOWHBEYKHEQI-HNNXBMFYSA-N -1 3 372.852 3.009 20 0 FGADHM CC(C)(C)C[C@@H](O)C[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000509431256 502901364 /nfs/dbraw/zinc/90/13/64/502901364.db2.gz MQBWVPZQLTVPAN-SNVBAGLBSA-N -1 3 373.824 3.434 20 0 FGADHM C[C@@H](NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl)c1ccc(F)cc1 ZINC000509519949 502924877 /nfs/dbraw/zinc/92/48/77/502924877.db2.gz AOEPSPVGGHTNSU-LLVKDONJSA-N -1 3 374.840 3.247 20 0 FGADHM [O-]c1ccc(F)c(CNCc2cc(Cl)ccc2N2CCOCC2)c1F ZINC000513452281 502942855 /nfs/dbraw/zinc/94/28/55/502942855.db2.gz WUKSCVDFNZHUAA-UHFFFAOYSA-N -1 3 368.811 3.450 20 0 FGADHM Cc1cccc(CCC[N-]S(=O)(=O)c2ccccc2C(F)(F)F)n1 ZINC000509643635 502956075 /nfs/dbraw/zinc/95/60/75/502956075.db2.gz XTMSJEZIUVMVFN-UHFFFAOYSA-N -1 3 358.385 3.320 20 0 FGADHM CC[C@H](c1nnc([N-]C(=O)c2cnn3ccncc23)s1)c1ccccc1 ZINC000497428217 502956810 /nfs/dbraw/zinc/95/68/10/502956810.db2.gz XBUNKWDXZZPYAD-ZDUSSCGKSA-N -1 3 364.434 3.375 20 0 FGADHM O=S(=O)([N-]C[C@H](OCC1CC1)c1ccc(Cl)cc1)c1ccco1 ZINC000509783219 502985207 /nfs/dbraw/zinc/98/52/07/502985207.db2.gz ORSMVQNNQXPJEC-HNNXBMFYSA-N -1 3 355.843 3.379 20 0 FGADHM O=S(=O)([N-]C[C@H]1CCSC1)c1cc(Cl)ccc1C(F)(F)F ZINC000509787775 502986200 /nfs/dbraw/zinc/98/62/00/502986200.db2.gz OJVGZKNRNUOZIT-MRVPVSSYSA-N -1 3 359.822 3.390 20 0 FGADHM O=S(=O)(Cc1ccccc1F)[N-][C@@H](c1ccc(F)cc1)[C@@H]1CCCO1 ZINC000509792036 502986751 /nfs/dbraw/zinc/98/67/51/502986751.db2.gz CSQVRFRLUXVVQA-ROUUACIJSA-N -1 3 367.417 3.305 20 0 FGADHM COCCC1(CNC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)CC1 ZINC000489573013 502989130 /nfs/dbraw/zinc/98/91/30/502989130.db2.gz NLXBSQWKULDQTE-UHFFFAOYSA-N -1 3 356.426 3.096 20 0 FGADHM O=C(CC[C@H]1Cc2ccccc2NC1=O)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000497563035 502989157 /nfs/dbraw/zinc/98/91/57/502989157.db2.gz HYYPYPLYTQNEOB-INIZCTEOSA-N -1 3 360.417 3.028 20 0 FGADHM CC(C)OCCCC[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000489625182 503000438 /nfs/dbraw/zinc/00/04/38/503000438.db2.gz PRMVRGZUHJVFQF-UHFFFAOYSA-N -1 3 373.368 3.208 20 0 FGADHM COCCC1(C[N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)CC1 ZINC000509895978 503007303 /nfs/dbraw/zinc/00/73/03/503007303.db2.gz CDFSVDMKXACEQM-UHFFFAOYSA-N -1 3 371.808 3.454 20 0 FGADHM COCCN(CC(C)C)C(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000509900267 503008341 /nfs/dbraw/zinc/00/83/41/503008341.db2.gz HJCFQXYABJZNLX-UHFFFAOYSA-N -1 3 358.442 3.294 20 0 FGADHM COC(=O)c1cc2c(cc1[N-]C(=O)c1c(F)c(F)cc(F)c1F)OCO2 ZINC000489689815 503012819 /nfs/dbraw/zinc/01/28/19/503012819.db2.gz JFPRNLFVGRMSLW-UHFFFAOYSA-N -1 3 371.242 3.011 20 0 FGADHM Cc1c2ccc(F)cc2sc1C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000497685062 503015089 /nfs/dbraw/zinc/01/50/89/503015089.db2.gz BADCPXXCNWSSJO-UHFFFAOYSA-N -1 3 367.409 3.459 20 0 FGADHM Cc1c2ccc(F)cc2sc1C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000497685062 503015094 /nfs/dbraw/zinc/01/50/94/503015094.db2.gz BADCPXXCNWSSJO-UHFFFAOYSA-N -1 3 367.409 3.459 20 0 FGADHM CCc1c([N-]C(=O)c2cn(-c3ccccc3)nn2)onc1C(F)(F)F ZINC000505937892 503016403 /nfs/dbraw/zinc/01/64/03/503016403.db2.gz ZRUHOYYSRBCJNZ-UHFFFAOYSA-N -1 3 351.288 3.089 20 0 FGADHM COC(=O)[C@H](Cc1ccccc1)[C@@H](C)NC(=O)c1cc([O-])ccc1Cl ZINC000513763464 503018667 /nfs/dbraw/zinc/01/86/67/503018667.db2.gz YFFKIDHDMLXDNI-IUODEOHRSA-N -1 3 361.825 3.196 20 0 FGADHM COc1cc(C(=O)NCCCSc2ccc(F)cc2)cc(OC)c1[O-] ZINC000513767886 503019426 /nfs/dbraw/zinc/01/94/26/503019426.db2.gz OWDPKLJEWYPPFK-UHFFFAOYSA-N -1 3 365.426 3.461 20 0 FGADHM O=C(CCCc1ccc([O-])c(F)c1)N1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000501496923 503021423 /nfs/dbraw/zinc/02/14/23/503021423.db2.gz RMHUPCZCZMGSIV-AWEZNQCLSA-N -1 3 359.401 3.131 20 0 FGADHM CC(C)n1cnc(S(=O)(=O)[N-][C@H](C)c2ccccc2OC(F)F)c1 ZINC000513793027 503024122 /nfs/dbraw/zinc/02/41/22/503024122.db2.gz QNZNTUDMGUSKRF-LLVKDONJSA-N -1 3 359.398 3.105 20 0 FGADHM CC(C)[C@H](Cc1ccc(F)cc1)[N-]S(=O)(=O)c1cn(C(C)C)cn1 ZINC000513846735 503036012 /nfs/dbraw/zinc/03/60/12/503036012.db2.gz VMJZMZBOKIMDJN-INIZCTEOSA-N -1 3 353.463 3.149 20 0 FGADHM COc1cc(C(=O)N[C@@H](C)c2ccc(-n3ccnc3C)cc2)ccc1[O-] ZINC000510039347 503036244 /nfs/dbraw/zinc/03/62/44/503036244.db2.gz GWXSUROZGLTOLY-ZDUSSCGKSA-N -1 3 351.406 3.386 20 0 FGADHM Cc1cc(=O)[n-]c([C@H](C)N2CCC[C@H](c3nc(C(F)(F)F)cn3C)C2)n1 ZINC000489812475 503041166 /nfs/dbraw/zinc/04/11/66/503041166.db2.gz VDRMCRIUKZQQFJ-RYUDHWBXSA-N -1 3 369.391 3.184 20 0 FGADHM CC(C)C(=O)Nc1ccc(CNC(=O)c2cc(=O)c3ccccc3[n-]2)cc1 ZINC000506086501 503044324 /nfs/dbraw/zinc/04/43/24/503044324.db2.gz PNGLQUMSESIARK-UHFFFAOYSA-N -1 3 363.417 3.053 20 0 FGADHM CC[C@H]1C[C@@H](C(=O)N=c2cc(-c3cc(Cl)ccc3OC)[n-][nH]2)CCO1 ZINC000506179317 503064357 /nfs/dbraw/zinc/06/43/57/503064357.db2.gz SCKVKVFTXLAIPH-AAEUAGOBSA-N -1 3 363.845 3.304 20 0 FGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000506224158 503072620 /nfs/dbraw/zinc/07/26/20/503072620.db2.gz OGGCHYWRHOVLMK-NWDGAFQWSA-N -1 3 359.513 3.418 20 0 FGADHM COC[C@H]([N-]S(=O)(=O)c1cc(C)ccc1Cl)c1ccc(F)cc1 ZINC000497951920 503073800 /nfs/dbraw/zinc/07/38/00/503073800.db2.gz RPRXQJTYSQVOKZ-HNNXBMFYSA-N -1 3 357.834 3.454 20 0 FGADHM COC[C@@H]([N-]S(=O)(=O)c1cc(C)ccc1Cl)c1ccc(F)cc1 ZINC000497951921 503073831 /nfs/dbraw/zinc/07/38/31/503073831.db2.gz RPRXQJTYSQVOKZ-OAHLLOKOSA-N -1 3 357.834 3.454 20 0 FGADHM CC(C)(C)c1ccc(NC(=O)CCC(=O)Nc2nnc(C3CC3)o2)c([O-])c1 ZINC000506244711 503076389 /nfs/dbraw/zinc/07/63/89/503076389.db2.gz ZXFZBTRNSPJYSF-UHFFFAOYSA-N -1 3 372.425 3.308 20 0 FGADHM O=C(CSc1nnc(CCc2ccccc2)o1)Nc1ccccc1[O-] ZINC000514112920 503090634 /nfs/dbraw/zinc/09/06/34/503090634.db2.gz LICOQWDSUIKNER-UHFFFAOYSA-N -1 3 355.419 3.291 20 0 FGADHM COc1cc(C(=O)N[C@H](C)[C@@H]2Oc3ccccc3[C@@H]2C)cc(OC)c1[O-] ZINC000490059331 503100893 /nfs/dbraw/zinc/10/08/93/503100893.db2.gz JZCXUROVLPFKQV-AVCJSFLBSA-N -1 3 357.406 3.092 20 0 FGADHM COc1c([N-]C(=O)c2cc(-c3ccccc3)no2)cc(Cl)cc1C(N)=O ZINC000501907652 503106446 /nfs/dbraw/zinc/10/64/46/503106446.db2.gz CEJUJWIHQRGYDY-UHFFFAOYSA-N -1 3 371.780 3.355 20 0 FGADHM COc1ccccc1-c1nc(NC(=O)C2(c3ccc(F)cc3)CC2)n[n-]1 ZINC000490142507 503116245 /nfs/dbraw/zinc/11/62/45/503116245.db2.gz NDXQTHCLSOWFTI-UHFFFAOYSA-N -1 3 352.369 3.290 20 0 FGADHM COC(=O)COc1cccc(C(=O)Nc2ccc(C(C)(C)C)cc2[O-])c1 ZINC000501980819 503120338 /nfs/dbraw/zinc/12/03/38/503120338.db2.gz RGYOWPUZRMFPLK-UHFFFAOYSA-N -1 3 357.406 3.494 20 0 FGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]C[C@@H]1CCOC[C@@H]1C ZINC000510472609 503122338 /nfs/dbraw/zinc/12/23/38/503122338.db2.gz NERPSDDFINRXQG-JQWIXIFHSA-N -1 3 357.859 3.346 20 0 FGADHM Cc1ccc2c(CN[C@@H](C)c3nnnn3-c3ccccc3)ccc([O-])c2n1 ZINC000514239474 503122454 /nfs/dbraw/zinc/12/24/54/503122454.db2.gz NSZGAIKXNHVTET-AWEZNQCLSA-N -1 3 360.421 3.075 20 0 FGADHM 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FGADHM COc1cc(C(=O)NCc2ccccc2COC(C)C)cc(OC)c1[O-] ZINC000545876648 504623164 /nfs/dbraw/zinc/62/31/64/504623164.db2.gz FYRYPMYNBYPEQP-UHFFFAOYSA-N -1 3 359.422 3.264 20 0 FGADHM O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2CN1Cc1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC000521056328 504639295 /nfs/dbraw/zinc/63/92/95/504639295.db2.gz ZHOWYNSZMBYXDS-AUJRIZCKSA-N -1 3 369.440 3.185 20 0 FGADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)[C@H]1CC12CCCCC2 ZINC000532422192 504644711 /nfs/dbraw/zinc/64/47/11/504644711.db2.gz OECGRHGLMIXBDJ-QGZVFWFLSA-N -1 3 356.466 3.083 20 0 FGADHM Cc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)C(C)C)cc1)CO2 ZINC000532421563 504644801 /nfs/dbraw/zinc/64/48/01/504644801.db2.gz AAKODMBYCNUEBX-KRWDZBQOSA-N -1 3 359.447 3.246 20 0 FGADHM Cc1nc(-c2ccc(NC(=O)N3CCOC(C)(C)[C@@H]3C)cc2)cc(=O)[n-]1 ZINC000532422990 504645682 /nfs/dbraw/zinc/64/56/82/504645682.db2.gz HJMAIBNCYSVSEJ-LBPRGKRZSA-N -1 3 356.426 3.189 20 0 FGADHM CC(=O)c1cccc(NC(=O)c2nc(C(F)(F)F)n3c2CCCC3)c1[O-] ZINC000529385261 504651242 /nfs/dbraw/zinc/65/12/42/504651242.db2.gz FBIDFFCKXUNPPM-UHFFFAOYSA-N -1 3 367.327 3.399 20 0 FGADHM Cc1cc(C)n2nc(C(=O)[N-]c3ncc(-c4ccccc4F)s3)nc2n1 ZINC000549018751 504657254 /nfs/dbraw/zinc/65/72/54/504657254.db2.gz IHAQFSNTDKPCRN-UHFFFAOYSA-N -1 3 368.397 3.256 20 0 FGADHM O=C(NC[C@@H](c1c(F)cccc1Cl)N1CCCC1)c1cncc([O-])c1 ZINC000521163573 504666049 /nfs/dbraw/zinc/66/60/49/504666049.db2.gz VJMSNNOSSWJRQL-INIZCTEOSA-N -1 3 363.820 3.147 20 0 FGADHM CCC(CC)(CNC(=O)N=c1[n-]nc(C)s1)N[C@H](C)c1ccccc1 ZINC000521172300 504669365 /nfs/dbraw/zinc/66/93/65/504669365.db2.gz KIPDDWDTUGFEMZ-CYBMUJFWSA-N -1 3 361.515 3.300 20 0 FGADHM O=C(NC[C@@H](CO)C1CCCCC1)c1cc([O-])cc(Br)c1 ZINC000529430871 504671340 /nfs/dbraw/zinc/67/13/40/504671340.db2.gz ZPBTTWSLEFJKPP-ZDUSSCGKSA-N -1 3 356.260 3.073 20 0 FGADHM CC(C)[C@@H]1CCC[C@@H](NC(=O)c2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)CC1 ZINC000546012445 504673756 /nfs/dbraw/zinc/67/37/56/504673756.db2.gz JQIINKLNYCQCIZ-ZVGUJKQYSA-N -1 3 371.481 3.076 20 0 FGADHM CCn1cc(NC(=O)N=c2cc(-c3cc(C)c(C)cc3C)[n-][nH]2)ccc1=O ZINC000521204706 504679649 /nfs/dbraw/zinc/67/96/49/504679649.db2.gz IVCUOWRUMFZRJO-UHFFFAOYSA-N -1 3 365.437 3.249 20 0 FGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2c3ccccc3CC[C@@H]2C)s1 ZINC000539796680 504689775 /nfs/dbraw/zinc/68/97/75/504689775.db2.gz GWDHRJBEBCORGA-MEDUHNTESA-N -1 3 365.476 3.137 20 0 FGADHM O=S(=O)(Cc1ncc(-c2ccc(Cl)cc2)o1)c1nc2c([n-]1)CCC2 ZINC000521247074 504692385 /nfs/dbraw/zinc/69/23/85/504692385.db2.gz BTEZTWKGGZMOMA-UHFFFAOYSA-N -1 3 363.826 3.181 20 0 FGADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OC)c(F)c2C)cc1OC ZINC000543023561 504694412 /nfs/dbraw/zinc/69/44/12/504694412.db2.gz XBMZPIWUNCGHGA-UHFFFAOYSA-N -1 3 369.414 3.351 20 0 FGADHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1CC[C@H](C)C(C)(C)C1 ZINC000546087674 504704521 /nfs/dbraw/zinc/70/45/21/504704521.db2.gz CMNUCJVMWVYWSF-LBPRGKRZSA-N -1 3 366.483 3.066 20 0 FGADHM Cc1ccc([O-])c(C(=O)N(C)[C@H](c2cnn(C)c2)c2cccc(F)c2)c1 ZINC000539841913 504715277 /nfs/dbraw/zinc/71/52/77/504715277.db2.gz UQFRCNQTCMFASA-IBGZPJMESA-N -1 3 353.397 3.435 20 0 FGADHM CCc1cccc(C(=O)N(C)[C@@H]2CCCN(c3ccccc3)C2=O)c1[O-] ZINC000539845405 504715751 /nfs/dbraw/zinc/71/57/51/504715751.db2.gz KEFKKNGWQSYAQQ-GOSISDBHSA-N -1 3 352.434 3.222 20 0 FGADHM Cn1cc([C@@H]2N(C(=O)c3cc([O-])cc(Br)c3)CC2(C)C)cn1 ZINC000529531897 504716548 /nfs/dbraw/zinc/71/65/48/504716548.db2.gz WSLPRVLYIUJFHL-AWEZNQCLSA-N -1 3 364.243 3.112 20 0 FGADHM CN1CCN(C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)c2cc(F)ccc21 ZINC000539874555 504725156 /nfs/dbraw/zinc/72/51/56/504725156.db2.gz UXDSQDATCDBXLA-UHFFFAOYSA-N -1 3 356.397 3.341 20 0 FGADHM O=S(=O)([N-]C1(c2ccc3c(c2)OCO3)CC1)c1ccc(Cl)s1 ZINC000532704776 504740510 /nfs/dbraw/zinc/74/05/10/504740510.db2.gz ORZVMBWVBNNWDH-UHFFFAOYSA-N -1 3 357.840 3.098 20 0 FGADHM CN(c1ccccc1)c1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000521463601 504742242 /nfs/dbraw/zinc/74/22/42/504742242.db2.gz HLFFOOIRCMSRBB-UHFFFAOYSA-N -1 3 371.404 3.282 20 0 FGADHM CN(c1ccccc1)c1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000521463601 504742246 /nfs/dbraw/zinc/74/22/46/504742246.db2.gz HLFFOOIRCMSRBB-UHFFFAOYSA-N -1 3 371.404 3.282 20 0 FGADHM CCOC(=O)COc1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000543160953 504745066 /nfs/dbraw/zinc/74/50/66/504745066.db2.gz GZJPKGMTMVCCDR-UHFFFAOYSA-N -1 3 363.435 3.046 20 0 FGADHM COC(=O)c1c(C)nc(=O)[n-]c1SCc1ccc(OC)c(Cl)c1 ZINC000536501708 504749790 /nfs/dbraw/zinc/74/97/90/504749790.db2.gz JOUAULMQGAWVFO-UHFFFAOYSA-N -1 3 354.815 3.232 20 0 FGADHM CCOC(=O)c1ccc(NC(=O)c2cnn(C(C)(C)C)c2CC)c([O-])c1 ZINC000539972693 504751171 /nfs/dbraw/zinc/75/11/71/504751171.db2.gz QKZLHDIBVQUMAF-UHFFFAOYSA-N -1 3 359.426 3.335 20 0 FGADHM C[C@H](NC(=O)[C@H](C)N1CCC[C@H](CC(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000532881240 504771011 /nfs/dbraw/zinc/77/10/11/504771011.db2.gz LVLFLZXTCMNXIK-MELADBBJSA-N -1 3 352.862 3.092 20 0 FGADHM Cc1ncc([N-]S(=O)(=O)Cc2ccc(F)c(Cl)c2)c(C2CC2)n1 ZINC000532895434 504771981 /nfs/dbraw/zinc/77/19/81/504771981.db2.gz IJCHGSDVJSBJBS-UHFFFAOYSA-N -1 3 355.822 3.397 20 0 FGADHM CC(=O)c1cccc(NC(=O)c2ccc(NC(=O)C(C)(C)C)nc2)c1[O-] ZINC000565024514 504773570 /nfs/dbraw/zinc/77/35/70/504773570.db2.gz KKHFABZOTOPDPR-UHFFFAOYSA-N -1 3 355.394 3.227 20 0 FGADHM O=C(N=c1cc2ccccn2[n-]1)N[C@H]1CCCOc2cc(Cl)ccc21 ZINC000562296144 504775502 /nfs/dbraw/zinc/77/55/02/504775502.db2.gz ANSRNEZLNXNLKA-HNNXBMFYSA-N -1 3 356.813 3.445 20 0 FGADHM Cc1cc(F)cc([C@@]2(F)CCN(C(=O)N=c3cc4ccccn4[n-]3)C2)c1 ZINC000562295390 504775766 /nfs/dbraw/zinc/77/57/66/504775766.db2.gz JUZWRVCRVCPESL-LJQANCHMSA-N -1 3 356.376 3.306 20 0 FGADHM COC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)c2ccc(Cl)cc2)s1 ZINC000556064907 504789639 /nfs/dbraw/zinc/78/96/39/504789639.db2.gz RCYAYDWMNKQBKF-UHFFFAOYSA-N -1 3 373.883 3.402 20 0 FGADHM O=S(=O)([N-][C@@H]1CCC[C@@H]1F)c1cnc2onc(-c3ccccc3)c2c1 ZINC000559178117 504796758 /nfs/dbraw/zinc/79/67/58/504796758.db2.gz FWLUHAGRUKZJCY-LSDHHAIUSA-N -1 3 361.398 3.059 20 0 FGADHM Cc1ccc2c(CSc3n[nH]c(=O)n3C[C@H]3CCCO3)ccc([O-])c2n1 ZINC000562371675 504797348 /nfs/dbraw/zinc/79/73/48/504797348.db2.gz WXPGVDMRASWKKD-CYBMUJFWSA-N -1 3 372.450 3.017 20 0 FGADHM CCOC(=O)[C@H]([N-]S(=O)(=O)Cc1c(C)cccc1C)c1ccccc1 ZINC000549377757 504804787 /nfs/dbraw/zinc/80/47/87/504804787.db2.gz NXXMUPNZNZEJSI-GOSISDBHSA-N -1 3 361.463 3.027 20 0 FGADHM Cc1nc(C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)c[nH]1 ZINC000559244090 504806755 /nfs/dbraw/zinc/80/67/55/504806755.db2.gz OQQGZWYPNLXYRV-UHFFFAOYSA-N -1 3 370.434 3.080 20 0 FGADHM CN(C)[C@H]1CCOc2c([N-]S(=O)(=O)CCc3ccccc3)cccc21 ZINC000562404874 504809299 /nfs/dbraw/zinc/80/92/99/504809299.db2.gz XPSMHJZLLNYEFW-SFHVURJKSA-N -1 3 360.479 3.056 20 0 FGADHM CCC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N=c1cc(C2(C)CCCC2)o[n-]1 ZINC000562454232 504825744 /nfs/dbraw/zinc/82/57/44/504825744.db2.gz XKBACHBXRCRXMH-CABCVRRESA-N -1 3 361.486 3.342 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N[C@]3(CO)C[C@@H](C)CC(C)(C)C3)c[n-]c12 ZINC000553125448 504832911 /nfs/dbraw/zinc/83/29/11/504832911.db2.gz LTCGDYPEWGNESN-LAJNKCICSA-N -1 3 374.456 3.283 20 0 FGADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1cnnn1-c1cccc(F)c1 ZINC000562495370 504837372 /nfs/dbraw/zinc/83/73/72/504837372.db2.gz LTBFUZLRADCLKF-UHFFFAOYSA-N -1 3 366.274 3.383 20 0 FGADHM CCc1cc(C(=O)NCCc2ccn(-c3ccc(F)cc3)n2)ccc1[O-] ZINC000553158354 504839964 /nfs/dbraw/zinc/83/99/64/504839964.db2.gz UWRFHEKTQCZSQP-UHFFFAOYSA-N -1 3 353.397 3.252 20 0 FGADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-]C1(C(C)C)CC1 ZINC000549523021 504841351 /nfs/dbraw/zinc/84/13/51/504841351.db2.gz PUYNOKAHLGGTEO-UHFFFAOYSA-N -1 3 366.252 3.064 20 0 FGADHM CC(C)[C@H](CNCc1cc(Cl)ccc1OC[C@@H]1CCCO1)C(=O)[O-] ZINC000556322555 504843632 /nfs/dbraw/zinc/84/36/32/504843632.db2.gz QJSOYVWLIPXSNG-HOTGVXAUSA-N -1 3 355.862 3.344 20 0 FGADHM Cc1cc(CS(=O)(=O)[N-][C@H](c2cccs2)c2ccc(F)cc2)no1 ZINC000556333922 504847257 /nfs/dbraw/zinc/84/72/57/504847257.db2.gz RDJVAMPFNOBWHA-INIZCTEOSA-N -1 3 366.439 3.393 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1cccc(F)c1Br ZINC000559418614 504857717 /nfs/dbraw/zinc/85/77/17/504857717.db2.gz QXBPPDIJMHVNQP-UHFFFAOYSA-N -1 3 362.162 3.021 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cccc(F)c1Br ZINC000559418614 504857720 /nfs/dbraw/zinc/85/77/20/504857720.db2.gz QXBPPDIJMHVNQP-UHFFFAOYSA-N -1 3 362.162 3.021 20 0 FGADHM Cc1ccc(CS(=O)(=O)[N-]c2ccc3nnc(C4CCC4)n3c2)c(F)c1 ZINC000562577782 504866498 /nfs/dbraw/zinc/86/64/98/504866498.db2.gz RKXRKCQPHQLYKG-UHFFFAOYSA-N -1 3 374.441 3.386 20 0 FGADHM Cc1ccc(O[C@@H](C)C(=O)N=c2cc3ccccn3[n-]2)c(Br)c1 ZINC000553323797 504883088 /nfs/dbraw/zinc/88/30/88/504883088.db2.gz ZEARHAWNHWEZJY-LBPRGKRZSA-N -1 3 374.238 3.233 20 0 FGADHM COCC1(C)CCN(Cc2cc(Br)ccc2C(=O)[O-])CC1 ZINC000565428369 504884530 /nfs/dbraw/zinc/88/45/30/504884530.db2.gz XCVWFZWFJNUUBD-UHFFFAOYSA-N -1 3 356.260 3.396 20 0 FGADHM CCOc1nc2cc(C(=O)N[C@@H]3CCc4cnn(C(C)C)c4C3)ccc2[n-]1 ZINC000565520774 504911187 /nfs/dbraw/zinc/91/11/87/504911187.db2.gz 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505331907 /nfs/dbraw/zinc/33/19/07/505331907.db2.gz YRYJHGCRKFREKQ-UHFFFAOYSA-N -1 3 355.485 3.105 20 0 FGADHM O=C(COc1c(Cl)cccc1Cl)[N-]c1ncnn1-c1ccccc1 ZINC000564134546 505333972 /nfs/dbraw/zinc/33/39/72/505333972.db2.gz GRACFXOQLHXDQF-UHFFFAOYSA-N -1 3 363.204 3.014 20 0 FGADHM C[C@H]1CN(Cc2cc([O-])cc(C(F)(F)F)c2)CCN1CC(F)(F)F ZINC000564136453 505334965 /nfs/dbraw/zinc/33/49/65/505334965.db2.gz AWALZHOOSAOWEG-JTQLQIEISA-N -1 3 356.310 3.479 20 0 FGADHM COc1cccc2c(C(=O)Nc3ccc(-n4nc(C)cc4C)nc3)[n-]nc21 ZINC000558251694 505345314 /nfs/dbraw/zinc/34/53/14/505345314.db2.gz JZJUJGYAFRJYCX-UHFFFAOYSA-N -1 3 362.393 3.021 20 0 FGADHM COc1cccc2c(C(=O)Nc3ccc(-n4nc(C)cc4C)nc3)n[n-]c21 ZINC000558251694 505345316 /nfs/dbraw/zinc/34/53/16/505345316.db2.gz JZJUJGYAFRJYCX-UHFFFAOYSA-N -1 3 362.393 3.021 20 0 FGADHM C[C@@H](CCOCc1ccccc1)NC(=O)c1c[n-]nc1-c1ccccn1 ZINC000555099951 505349469 /nfs/dbraw/zinc/34/94/69/505349469.db2.gz JNQAFJGHCARBLY-HNNXBMFYSA-N -1 3 350.422 3.197 20 0 FGADHM 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ZINC000552323063 505460492 /nfs/dbraw/zinc/46/04/92/505460492.db2.gz RWNKQHWLLJKWJL-HNNXBMFYSA-N -1 3 350.422 3.295 20 0 FGADHM CCCc1nc(C)c(C[N-]S(=O)(=O)c2ccc3ncsc3c2)o1 ZINC000555571824 505460923 /nfs/dbraw/zinc/46/09/23/505460923.db2.gz AREFOHSJXGDPFL-UHFFFAOYSA-N -1 3 351.453 3.024 20 0 FGADHM CC(=O)N(Cc1ccsc1)[C@H]1CC12CCN(Cc1ncccc1[O-])CC2 ZINC000564612106 505469570 /nfs/dbraw/zinc/46/95/70/505469570.db2.gz SDNDQGCQXKOBSV-IBGZPJMESA-N -1 3 371.506 3.252 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)[C@H]3CC[C@@H](C(F)(F)F)C3)[n-]c21 ZINC000552365689 505473548 /nfs/dbraw/zinc/47/35/48/505473548.db2.gz NSIXQRQCDQXBBZ-DTWKUNHWSA-N -1 3 355.316 3.267 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@H]3CC[C@@H](C(F)(F)F)C3)nc21 ZINC000552365689 505473549 /nfs/dbraw/zinc/47/35/49/505473549.db2.gz NSIXQRQCDQXBBZ-DTWKUNHWSA-N -1 3 355.316 3.267 20 0 FGADHM [O-]c1cccnc1CN1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000561948797 505475135 /nfs/dbraw/zinc/47/51/35/505475135.db2.gz SYRVPZIFXGRXOS-CQSZACIVSA-N -1 3 354.385 3.356 20 0 FGADHM CC[C@H](C)NC(=O)c1ccc(NC(=O)c2n[n-]nc2-c2ccccc2)cc1 ZINC000558736301 505478376 /nfs/dbraw/zinc/47/83/76/505478376.db2.gz RASCSWUDQFHOTN-ZDUSSCGKSA-N -1 3 363.421 3.252 20 0 FGADHM COc1ccccc1[C@@H](CC(C)C)NC(=O)c1c[n-]c2ccncc2c1=O ZINC000564639581 505479709 /nfs/dbraw/zinc/47/97/09/505479709.db2.gz RNPLHQNRVZPXNF-GOSISDBHSA-N -1 3 365.433 3.449 20 0 FGADHM COC(=O)[C@H](C)CN(Cc1ccccc1)C(=O)c1cc([O-])ccc1Cl ZINC000555665434 505488600 /nfs/dbraw/zinc/48/86/00/505488600.db2.gz INJASQVTLRGAHQ-CYBMUJFWSA-N -1 3 361.825 3.497 20 0 FGADHM CC(C)C[C@H](c1nc(-c2ccc3n[n-]nc3c2)no1)N1CCCCC1=O ZINC000558891833 505521777 /nfs/dbraw/zinc/52/17/77/505521777.db2.gz KOTOVCMQPAGUFD-OAHLLOKOSA-N -1 3 354.414 3.108 20 0 FGADHM COc1ccc(CN(C)C)cc1[N-]S(=O)(=O)c1c(F)cc(C)cc1F ZINC000564830770 505532196 /nfs/dbraw/zinc/53/21/96/505532196.db2.gz BMYBXLDFABBUDE-UHFFFAOYSA-N -1 3 370.421 3.144 20 0 FGADHM C[C@@]1(c2nc(-c3nnc(-c4cccc(Br)c4)[n-]3)no2)C[C@@H]1F ZINC000564834096 505532686 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FGADHM Cc1nc(C)c(C[N-]S(=O)(=O)Cc2cc(-c3ccccc3)no2)s1 ZINC000608033349 506386225 /nfs/dbraw/zinc/38/62/25/506386225.db2.gz KHISYYXXDHRBJX-UHFFFAOYSA-N -1 3 363.464 3.035 20 0 FGADHM CS[C@H]1CCC[C@@H](NC(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)C1 ZINC000603041181 506394002 /nfs/dbraw/zinc/39/40/02/506394002.db2.gz NORYAVSKIWWVLR-BDAKNGLRSA-N -1 3 370.828 3.316 20 0 FGADHM CSC[C@H]1CCCN(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)C1 ZINC000603044667 506396489 /nfs/dbraw/zinc/39/64/89/506396489.db2.gz SCICPXJJBIQTSW-VIFPVBQESA-N -1 3 370.828 3.128 20 0 FGADHM CC[C@@H](CCc1ccccc1)[N-]S(=O)(=O)c1ccsc1C(=O)OC ZINC000599395531 506441447 /nfs/dbraw/zinc/44/14/47/506441447.db2.gz GEROOUWGIMNDMP-AWEZNQCLSA-N -1 3 367.492 3.224 20 0 FGADHM O=C(NCCCCc1ccccc1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000612128798 506452224 /nfs/dbraw/zinc/45/22/24/506452224.db2.gz WSOFMDFLAGUWJN-IBGZPJMESA-N -1 3 366.461 3.136 20 0 FGADHM O=C(c1ccc2[nH][n-]c(=O)c2c1)N1CCCCC[C@@H]1[C@H]1CCCCC1=O ZINC000612130445 506453193 /nfs/dbraw/zinc/45/31/93/506453193.db2.gz LMNUTBSPJUOCFT-RHSMWYFYSA-N -1 3 355.438 3.413 20 0 FGADHM O=C([O-])C1CCN(C(=O)CN2CCCC[C@H]2CCCc2ccccc2)CC1 ZINC000582910511 506484154 /nfs/dbraw/zinc/48/41/54/506484154.db2.gz OFHQOBCRVACCOR-FQEVSTJZSA-N -1 3 372.509 3.187 20 0 FGADHM O=S(=O)([N-]C[C@@H]1OCCc2ccccc21)c1cc(F)ccc1Cl ZINC000603506146 506533590 /nfs/dbraw/zinc/53/35/90/506533590.db2.gz KUIAVKOGEOUPAO-HNNXBMFYSA-N -1 3 355.818 3.071 20 0 FGADHM O=C([O-])c1cnc2ccccc2c1N1CCN(CCc2cccs2)CC1 ZINC000583087322 506582827 /nfs/dbraw/zinc/58/28/27/506582827.db2.gz QVSIFAGVEDOKOM-UHFFFAOYSA-N -1 3 367.474 3.359 20 0 FGADHM COCc1cccc(S(=O)(=O)[N-][C@H](c2ccccc2)C(F)(F)F)c1 ZINC000589616986 506605829 /nfs/dbraw/zinc/60/58/29/506605829.db2.gz BUGJXHDMXFQNCF-OAHLLOKOSA-N -1 3 359.369 3.415 20 0 FGADHM O=C(Nc1nnc(-c2ccco2)[n-]1)c1cccc(F)c1Br ZINC000583157509 506621084 /nfs/dbraw/zinc/62/10/84/506621084.db2.gz YBZWIMDMFIRBTO-UHFFFAOYSA-N -1 3 351.135 3.219 20 0 FGADHM O=C(Nc1nc(-c2ccco2)n[n-]1)c1cccc(F)c1Br ZINC000583157509 506621092 /nfs/dbraw/zinc/62/10/92/506621092.db2.gz YBZWIMDMFIRBTO-UHFFFAOYSA-N -1 3 351.135 3.219 20 0 FGADHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1cccc(F)c1Br ZINC000583157509 506621095 /nfs/dbraw/zinc/62/10/95/506621095.db2.gz YBZWIMDMFIRBTO-UHFFFAOYSA-N -1 3 351.135 3.219 20 0 FGADHM CCc1oc2ccccc2c1CN(C)C(=O)CNC(=O)c1ccc([O-])cc1 ZINC000589684054 506627279 /nfs/dbraw/zinc/62/72/79/506627279.db2.gz FQQSVQCCXBQOIC-UHFFFAOYSA-N -1 3 366.417 3.089 20 0 FGADHM Cc1csc(-c2ccc(NC(=O)CNC(=O)c3ccc([O-])cc3)cc2)n1 ZINC000589695220 506632766 /nfs/dbraw/zinc/63/27/66/506632766.db2.gz JKPBWSKLQQJVIT-UHFFFAOYSA-N -1 3 367.430 3.193 20 0 FGADHM CCCN(C(=O)CNC(=O)c1ccc([O-])cc1)[C@H]1CCc2ccccc21 ZINC000589692765 506633106 /nfs/dbraw/zinc/63/31/06/506633106.db2.gz JIIUORAWUKISNN-IBGZPJMESA-N -1 3 352.434 3.048 20 0 FGADHM COc1ccc2ncc(C(=O)[O-])c(N3CCC(OC4CCC4)CC3)c2c1 ZINC000583206330 506649881 /nfs/dbraw/zinc/64/98/81/506649881.db2.gz 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/nfs/dbraw/zinc/88/80/43/515888043.db2.gz NXTOOGWGUPOHFK-UHFFFAOYSA-N -1 3 352.213 3.176 20 0 FGADHM O=C(CCC(=O)c1ccccn1)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1 ZINC000474279138 515969241 /nfs/dbraw/zinc/96/92/41/515969241.db2.gz VWYRNCBOGSNALK-UHFFFAOYSA-N -1 3 356.332 3.352 20 0 FGADHM CCc1[n-][nH]c(=NC(=O)[C@H](C)c2c(C)nn(CC(F)(F)F)c2C)c1C ZINC000483226174 515993722 /nfs/dbraw/zinc/99/37/22/515993722.db2.gz RKDMJNVDOINUSQ-SECBINFHSA-N -1 3 357.380 3.398 20 0 FGADHM Cn1[n-]c(=NC(=O)Cc2c[nH]c3cccc(Cl)c23)cc1OC(F)F ZINC000501526638 516141295 /nfs/dbraw/zinc/14/12/95/516141295.db2.gz BTLUKQKVMQJJBD-UHFFFAOYSA-N -1 3 354.744 3.337 20 0 FGADHM Cc1ccccc1-c1cc(=NC(=O)CCNC(=O)C2CCCCC2)[nH][n-]1 ZINC000512321908 516239067 /nfs/dbraw/zinc/23/90/67/516239067.db2.gz KONLCCCWQQFTCC-UHFFFAOYSA-N -1 3 354.454 3.410 20 0 FGADHM C[C@@H]1CN(C(=O)c2csc(=NC3CC3)[n-]2)[C@H](C)CN1Cc1ccccc1 ZINC000501861434 516246324 /nfs/dbraw/zinc/24/63/24/516246324.db2.gz KBIBCAXPZPRJMZ-HUUCEWRRSA-N -1 3 370.522 3.452 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)c2nc(-c3cnn(C)c3)oc2C)c1-c1ccccc1 ZINC000531465197 516480419 /nfs/dbraw/zinc/48/04/19/516480419.db2.gz NRKLGAYNYHFWGA-UHFFFAOYSA-N -1 3 362.393 3.334 20 0 FGADHM CCSc1n[n-]c(=NC(=O)NC[C@@H](C)N(C)Cc2ccccc2)s1 ZINC000523591108 516513489 /nfs/dbraw/zinc/51/34/89/516513489.db2.gz VFSHUERARGHMDP-GFCCVEGCSA-N -1 3 365.528 3.292 20 0 FGADHM O=C(Nc1ccc(Br)cc1O)c1csc(=NC2CC2)[n-]1 ZINC000532023206 516760679 /nfs/dbraw/zinc/76/06/79/516760679.db2.gz AERSLYADPISAGJ-UHFFFAOYSA-N -1 3 354.229 3.438 20 0 FGADHM Cn1[n-]c(=NC(=O)N[C@@H]2[C@@H]3Cc4c(cccc4Cl)[C@@H]32)cc1OC(F)F ZINC000529072464 516903008 /nfs/dbraw/zinc/90/30/08/516903008.db2.gz USQPQERHCOFLNT-BIGNPOOSSA-N -1 3 368.771 3.135 20 0 FGADHM COC(=O)Cc1occ(C)c1C(=O)N=c1[nH][n-]c(C)c1-c1ccccc1 ZINC000514893419 517110689 /nfs/dbraw/zinc/11/06/89/517110689.db2.gz GZGBKIIJXKYDMS-UHFFFAOYSA-N -1 3 353.378 3.254 20 0 FGADHM Cc1ccc(F)cc1-c1n[n-]c(=NC(=O)NC[C@@H]2CCCN(C)C2)s1 ZINC000525911141 517229567 /nfs/dbraw/zinc/22/95/67/517229567.db2.gz NBQWAWDJQNCVIF-LBPRGKRZSA-N -1 3 363.462 3.116 20 0 FGADHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000525966877 517260537 /nfs/dbraw/zinc/26/05/37/517260537.db2.gz BGJPWVGCOAQCMN-AEFFLSMTSA-N -1 3 354.454 3.112 20 0 FGADHM CCCCCOc1ccc([C@H](C)N=c2nc3[nH][n-]cc-3c(N)n2)cc1OC ZINC000545484444 517263003 /nfs/dbraw/zinc/26/30/03/517263003.db2.gz UMSWLUCRDWHWTD-LBPRGKRZSA-N -1 3 370.457 3.059 20 0 FGADHM CCSc1n[n-]c(=NC(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)s1 ZINC000515320776 517297089 /nfs/dbraw/zinc/29/70/89/517297089.db2.gz WRRVUWAYFMJBAF-YPMHNXCESA-N -1 3 365.528 3.463 20 0 FGADHM CN(C)CCN(C(=O)N=c1ccc(-c2ccccc2)n[n-]1)C1CCCC1 ZINC000533451938 517471755 /nfs/dbraw/zinc/47/17/55/517471755.db2.gz BIOCHJMCEQDXOY-UHFFFAOYSA-N -1 3 353.470 3.482 20 0 FGADHM CN1CC=C(CNC(=O)N=c2[n-]nc(-c3cc4ccccc4o3)s2)CC1 ZINC000527060105 517479606 /nfs/dbraw/zinc/47/96/06/517479606.db2.gz GLZQVCPPQGILLM-UHFFFAOYSA-N -1 3 369.450 3.335 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)C(=O)c2cnn(C(C)(C)C)c2)c1-c1ccc(C)cc1 ZINC000530271135 517668992 /nfs/dbraw/zinc/66/89/92/517668992.db2.gz ADMKAFKBYWPNSP-UHFFFAOYSA-N -1 3 365.437 3.466 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)c2cnc(OCC3CC3)cn2)c1-c1ccc(F)cc1 ZINC000530277544 517674282 /nfs/dbraw/zinc/67/42/82/517674282.db2.gz SZFSPFUUSYZDTH-UHFFFAOYSA-N -1 3 367.384 3.355 20 0 FGADHM Cc1ccc(C(=O)N2CCC[C@H](C(=O)N=c3cc4ccccn4[n-]3)C2)cc1 ZINC000516591883 517759232 /nfs/dbraw/zinc/75/92/32/517759232.db2.gz OUAJMQGOGLEUHC-KRWDZBQOSA-N -1 3 362.433 3.134 20 0 FGADHM CCc1[n-][nH]c(=NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@@H](C)CC)c1C ZINC000521898123 517890940 /nfs/dbraw/zinc/89/09/40/517890940.db2.gz RNLUDRVGGPYMPH-UGSOOPFHSA-N -1 3 368.481 3.219 20 0 FGADHM CCc1[n-][nH]c(=NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@H](C)CC)c1C ZINC000521898120 517891434 /nfs/dbraw/zinc/89/14/34/517891434.db2.gz RNLUDRVGGPYMPH-ACJLOTCBSA-N -1 3 368.481 3.219 20 0 FGADHM O=C(N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1)[C@H](O)C1CCOCC1 ZINC000530798568 517982150 /nfs/dbraw/zinc/98/21/50/517982150.db2.gz WFUFIDRNJISYDI-OAHLLOKOSA-N -1 3 370.236 3.110 20 0 FGADHM CNC(=O)c1cccc(C(=O)N=c2cc(-c3cccc(Cl)c3)[n-][nH]2)c1 ZINC000608359989 519948156 /nfs/dbraw/zinc/94/81/56/519948156.db2.gz ZKAQRJWBMWTNGM-UHFFFAOYSA-N -1 3 354.797 3.342 20 0 FGADHM CCN=c1[n-]c(C(=O)N[C@@](C)(CO)c2cccc(C(F)(F)F)c2)cs1 ZINC000616811367 520157248 /nfs/dbraw/zinc/15/72/48/520157248.db2.gz OUVNJTOOCCILEN-HNNXBMFYSA-N -1 3 373.400 3.231 20 0 FGADHM O=C(CSc1ccc(C(F)(F)F)cn1)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000616826166 520164775 /nfs/dbraw/zinc/16/47/75/520164775.db2.gz IQINWBJWFROMGQ-LLVKDONJSA-N -1 3 372.372 3.406 20 0 FGADHM CSc1nc(C2CC2)nc(C)c1C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000616825809 520165110 /nfs/dbraw/zinc/16/51/10/520165110.db2.gz AZJMOMXJSJYXQS-LBPRGKRZSA-N -1 3 359.455 3.211 20 0 FGADHM CCN=c1[n-]c(C(=O)N2CCCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@@H]2O)cs1 ZINC000614324497 520908353 /nfs/dbraw/zinc/90/83/53/520908353.db2.gz SHKRPCXGSDAPBR-UGQVUOCMSA-N -1 3 351.516 3.367 20 0 FGADHM COc1cccc(-c2c(C)[n-][nH]c2=NC(=O)[C@@H](C)n2nc(C)cc2C)c1 ZINC000629694526 522396310 /nfs/dbraw/zinc/39/63/10/522396310.db2.gz WSFCJROQJFRHKG-CQSZACIVSA-N -1 3 353.426 3.407 20 0 FGADHM COc1cccc(-c2c(C)[n-][nH]c2=NC(=O)c2cc3n(n2)CCCC3)c1 ZINC000629692010 522397664 /nfs/dbraw/zinc/39/76/64/522397664.db2.gz FQPKCVRFZMNOSP-UHFFFAOYSA-N -1 3 351.410 3.179 20 0 FGADHM CCCCN(C)CCNC(=O)N=c1[n-]nc(-c2ccc(OC)cc2)s1 ZINC000481937928 561245818 /nfs/dbraw/zinc/24/58/18/561245818.db2.gz MJSHVNORPWFKEH-UHFFFAOYSA-N -1 3 363.487 3.067 20 0 FGADHM CC(C)(CCCO)CNC(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482144902 561249054 /nfs/dbraw/zinc/24/90/54/561249054.db2.gz XDPOXROZDGFSLL-UHFFFAOYSA-N -1 3 369.263 3.017 20 0 FGADHM COc1cc(C2(C(=O)N=c3cc(OC(F)F)n(C)[n-]3)CC2)ccc1C ZINC000490955258 561440937 /nfs/dbraw/zinc/44/09/37/561440937.db2.gz NUFISXKNHVAYEQ-UHFFFAOYSA-N -1 3 351.353 3.009 20 0 FGADHM C[C@H](c1ccncc1)N1CCC(NC(=O)N=c2cc3ccccn3[n-]2)CC1 ZINC000516799917 562058478 /nfs/dbraw/zinc/05/84/78/562058478.db2.gz BGIPAOGENFYOAA-OAHLLOKOSA-N -1 3 364.453 3.076 20 0 FGADHM CC[C@@H]1CC[C@@H](C(=O)N=c2[nH][n-]c(C)c2-c2ccc3c(c2)OCCO3)O1 ZINC000533403223 562507663 /nfs/dbraw/zinc/50/76/63/562507663.db2.gz QEYOGNFDHJMHHR-HIFRSBDPSA-N -1 3 357.410 3.052 20 0 FGADHM CCC(CC)c1cc(C[N-]S(=O)(=O)c2ccc3c(c2)C(=O)CC3)on1 ZINC000655525728 568149067 /nfs/dbraw/zinc/14/90/67/568149067.db2.gz LSVOUTUXQPFLIT-UHFFFAOYSA-N -1 3 362.451 3.186 20 0 FGADHM CCOC(=O)c1ncc(NC(=O)c2cnc(-c3ccccc3F)s2)[n-]1 ZINC000617877440 568195319 /nfs/dbraw/zinc/19/53/19/568195319.db2.gz OGSPGUJOEQRGRL-UHFFFAOYSA-N -1 3 360.370 3.101 20 0 FGADHM CCOC(=O)c1nc(NC(=O)c2cnc(-c3ccccc3F)s2)c[n-]1 ZINC000617877440 568195320 /nfs/dbraw/zinc/19/53/20/568195320.db2.gz OGSPGUJOEQRGRL-UHFFFAOYSA-N -1 3 360.370 3.101 20 0 FGADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CC(C2CC2)C1 ZINC000643287583 568539064 /nfs/dbraw/zinc/53/90/64/568539064.db2.gz RPEOXLIKZYBKPP-HXUWFJFHSA-N -1 3 364.445 3.122 20 0 FGADHM Cc1nn(-c2ccc(-c3nn[n-]n3)cc2)c(NC(=O)CCC(C)(C)C)c1C ZINC000737503250 598839321 /nfs/dbraw/zinc/83/93/21/598839321.db2.gz FQXRQKHHNHBGPM-UHFFFAOYSA-N -1 3 367.457 3.434 20 0 FGADHM COc1cc(NC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc(OC)c1 ZINC000737052900 598849816 /nfs/dbraw/zinc/84/98/16/598849816.db2.gz CKIBKJZMRXJKGN-UHFFFAOYSA-N -1 3 374.788 3.181 20 0 FGADHM COc1cc(NC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc(OC)c1 ZINC000737052900 598849818 /nfs/dbraw/zinc/84/98/18/598849818.db2.gz CKIBKJZMRXJKGN-UHFFFAOYSA-N -1 3 374.788 3.181 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)Nc1cccc(COC)c1 ZINC000736634534 598850766 /nfs/dbraw/zinc/85/07/66/598850766.db2.gz KFBJIACBNKCDRC-UHFFFAOYSA-N -1 3 368.397 3.056 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)Nc1cccc(COC)c1 ZINC000736634534 598850768 /nfs/dbraw/zinc/85/07/68/598850768.db2.gz KFBJIACBNKCDRC-UHFFFAOYSA-N -1 3 368.397 3.056 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1sccc1C1CC1 ZINC000736635792 598864445 /nfs/dbraw/zinc/86/44/45/598864445.db2.gz ZKONRTLDTNGBMM-UHFFFAOYSA-N -1 3 355.423 3.457 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1sccc1C1CC1 ZINC000736635792 598864446 /nfs/dbraw/zinc/86/44/46/598864446.db2.gz ZKONRTLDTNGBMM-UHFFFAOYSA-N -1 3 355.423 3.457 20 0 FGADHM Clc1cc(-c2nnn[n-]2)cnc1N[C@H](c1ccccc1)[C@H]1CCCO1 ZINC000737558945 598870193 /nfs/dbraw/zinc/87/01/93/598870193.db2.gz SOBQIFKGFQNOSH-HUUCEWRRSA-N -1 3 356.817 3.247 20 0 FGADHM Clc1cc(-c2nn[n-]n2)cnc1N[C@H](c1ccccc1)[C@H]1CCCO1 ZINC000737558945 598870195 /nfs/dbraw/zinc/87/01/95/598870195.db2.gz SOBQIFKGFQNOSH-HUUCEWRRSA-N -1 3 356.817 3.247 20 0 FGADHM CCSc1cccc(N[C@H](C(=O)OC)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736664875 598885534 /nfs/dbraw/zinc/88/55/34/598885534.db2.gz ABUPRENQQPUGHG-INIZCTEOSA-N -1 3 369.450 3.305 20 0 FGADHM CCSc1cccc(N[C@H](C(=O)OC)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736664875 598885535 /nfs/dbraw/zinc/88/55/35/598885535.db2.gz ABUPRENQQPUGHG-INIZCTEOSA-N -1 3 369.450 3.305 20 0 FGADHM Cc1noc(C)c1CNCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000737537946 598887619 /nfs/dbraw/zinc/88/76/19/598887619.db2.gz QGFQDYSGEXKPOD-UHFFFAOYSA-N -1 3 366.450 3.490 20 0 FGADHM Cc1ccccc1CCC(=O)O[C@@H](C)COc1cccc(-c2nnn[n-]2)c1 ZINC000737427127 598890239 /nfs/dbraw/zinc/89/02/39/598890239.db2.gz QQCIEEBMXZNFIW-HNNXBMFYSA-N -1 3 366.421 3.118 20 0 FGADHM Cc1ccccc1CCC(=O)O[C@@H](C)COc1cccc(-c2nn[n-]n2)c1 ZINC000737427127 598890241 /nfs/dbraw/zinc/89/02/41/598890241.db2.gz QQCIEEBMXZNFIW-HNNXBMFYSA-N -1 3 366.421 3.118 20 0 FGADHM O=C(Nc1ccccn1)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000738195143 598932489 /nfs/dbraw/zinc/93/24/89/598932489.db2.gz HLMVHLUXKYAELN-UHFFFAOYSA-N -1 3 372.388 3.093 20 0 FGADHM O=C(Nc1ccccn1)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000738195143 598932491 /nfs/dbraw/zinc/93/24/91/598932491.db2.gz HLMVHLUXKYAELN-UHFFFAOYSA-N -1 3 372.388 3.093 20 0 FGADHM Clc1cc(-c2nnn[n-]2)cnc1Sc1nc(-c2ccccc2)c[nH]1 ZINC000737557241 598937723 /nfs/dbraw/zinc/93/77/23/598937723.db2.gz DWYPZVVIVAHIEZ-UHFFFAOYSA-N -1 3 355.814 3.456 20 0 FGADHM Clc1cc(-c2nn[n-]n2)cnc1Sc1nc(-c2ccccc2)c[nH]1 ZINC000737557241 598937725 /nfs/dbraw/zinc/93/77/25/598937725.db2.gz DWYPZVVIVAHIEZ-UHFFFAOYSA-N -1 3 355.814 3.456 20 0 FGADHM C[C@H](c1c(F)cccc1F)N(C)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000736198800 598938023 /nfs/dbraw/zinc/93/80/23/598938023.db2.gz UVORYBSEORWZOB-MRVPVSSYSA-N -1 3 350.760 3.391 20 0 FGADHM C[C@H](c1c(F)cccc1F)N(C)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000736198800 598938024 /nfs/dbraw/zinc/93/80/24/598938024.db2.gz UVORYBSEORWZOB-MRVPVSSYSA-N -1 3 350.760 3.391 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OCCSCCOc1ccccc1 ZINC000737033181 598938871 /nfs/dbraw/zinc/93/88/71/598938871.db2.gz UAEGKOHPLHDXQY-UHFFFAOYSA-N -1 3 372.450 3.066 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OCCSCCOc1ccccc1 ZINC000737033181 598938873 /nfs/dbraw/zinc/93/88/73/598938873.db2.gz UAEGKOHPLHDXQY-UHFFFAOYSA-N -1 3 372.450 3.066 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OCCOc1ccc(F)cc1Cl ZINC000737033563 598939000 /nfs/dbraw/zinc/93/90/00/598939000.db2.gz XGRZPRAFGJPXDW-UHFFFAOYSA-N -1 3 364.764 3.126 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OCCOc1ccc(F)cc1Cl ZINC000737033563 598939001 /nfs/dbraw/zinc/93/90/01/598939001.db2.gz XGRZPRAFGJPXDW-UHFFFAOYSA-N -1 3 364.764 3.126 20 0 FGADHM COc1ccc(OCCSc2ncc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000737112635 598939820 /nfs/dbraw/zinc/93/98/20/598939820.db2.gz WJUJHSPCDLTJRO-UHFFFAOYSA-N -1 3 363.830 3.095 20 0 FGADHM COc1ccc(OCCSc2ncc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000737112635 598939822 /nfs/dbraw/zinc/93/98/22/598939822.db2.gz WJUJHSPCDLTJRO-UHFFFAOYSA-N -1 3 363.830 3.095 20 0 FGADHM CC[C@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)c1nc2ccccc2[nH]1 ZINC000736367929 598941224 /nfs/dbraw/zinc/94/12/24/598941224.db2.gz DINDYGDUYYMDKG-NSHDSACASA-N -1 3 354.805 3.355 20 0 FGADHM CC[C@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)c1nc2ccccc2[nH]1 ZINC000736367929 598941226 /nfs/dbraw/zinc/94/12/26/598941226.db2.gz DINDYGDUYYMDKG-NSHDSACASA-N -1 3 354.805 3.355 20 0 FGADHM CC(C)[C@H]1CCCN(C(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736112366 598965596 /nfs/dbraw/zinc/96/55/96/598965596.db2.gz ISDTTXMXBSQIPI-GJZGRUSLSA-N -1 3 356.474 3.395 20 0 FGADHM CC(C)[C@H]1CCCN(C(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736112366 598965598 /nfs/dbraw/zinc/96/55/98/598965598.db2.gz ISDTTXMXBSQIPI-GJZGRUSLSA-N -1 3 356.474 3.395 20 0 FGADHM CC(C)CCNC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735811790 598978677 /nfs/dbraw/zinc/97/86/77/598978677.db2.gz VEGNRLUXTWTCPY-UHFFFAOYSA-N -1 3 365.437 3.222 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OCCN(C)c1cc(C)ccc1C ZINC000737031317 598982345 /nfs/dbraw/zinc/98/23/45/598982345.db2.gz FNHTWDFEOUXLBC-UHFFFAOYSA-N -1 3 353.426 3.007 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OCCN(C)c1cc(C)ccc1C ZINC000737031317 598982347 /nfs/dbraw/zinc/98/23/47/598982347.db2.gz FNHTWDFEOUXLBC-UHFFFAOYSA-N -1 3 353.426 3.007 20 0 FGADHM CC(C)(C)Oc1ccccc1NC(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000735639675 599018046 /nfs/dbraw/zinc/01/80/46/599018046.db2.gz MPDCGDCOENRRNV-UHFFFAOYSA-N -1 3 367.409 3.062 20 0 FGADHM CC(C)(C)Oc1ccccc1NC(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000735639675 599018048 /nfs/dbraw/zinc/01/80/48/599018048.db2.gz MPDCGDCOENRRNV-UHFFFAOYSA-N -1 3 367.409 3.062 20 0 FGADHM Cc1cccc([C@H](C)NC(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)c1C ZINC000737391289 599018889 /nfs/dbraw/zinc/01/88/89/599018889.db2.gz ZKOJSPIFFQVIGI-LSDHHAIUSA-N -1 3 365.437 3.128 20 0 FGADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(N[C@H]2C[C@@H]2Cc2ccccc2)n1 ZINC000822723503 599034431 /nfs/dbraw/zinc/03/44/31/599034431.db2.gz GZTLXQBXJLKGIM-AAEUAGOBSA-N -1 3 360.343 3.324 20 0 FGADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(N[C@H]2C[C@@H]2Cc2ccccc2)n1 ZINC000822723503 599034434 /nfs/dbraw/zinc/03/44/34/599034434.db2.gz GZTLXQBXJLKGIM-AAEUAGOBSA-N -1 3 360.343 3.324 20 0 FGADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(N[C@H]2CCc3ccccc3C2)n1 ZINC000737631686 599040377 /nfs/dbraw/zinc/04/03/77/599040377.db2.gz HNSQVTSEMWUTOJ-LBPRGKRZSA-N -1 3 360.343 3.250 20 0 FGADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(N[C@H]2CCc3ccccc3C2)n1 ZINC000737631686 599040380 /nfs/dbraw/zinc/04/03/80/599040380.db2.gz HNSQVTSEMWUTOJ-LBPRGKRZSA-N -1 3 360.343 3.250 20 0 FGADHM CO[C@@H](CNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)c1ccccc1 ZINC000736963942 599042070 /nfs/dbraw/zinc/04/20/70/599042070.db2.gz VHRNJOBIBMEZEC-LBPRGKRZSA-N -1 3 364.331 3.080 20 0 FGADHM CO[C@@H](CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)c1ccccc1 ZINC000736963942 599042072 /nfs/dbraw/zinc/04/20/72/599042072.db2.gz VHRNJOBIBMEZEC-LBPRGKRZSA-N -1 3 364.331 3.080 20 0 FGADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(N2CCC[C@H]2Cc2ccccc2)n1 ZINC000737632012 599042079 /nfs/dbraw/zinc/04/20/79/599042079.db2.gz HUZUERAKCCNWBF-ZDUSSCGKSA-N -1 3 374.370 3.492 20 0 FGADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(N2CCC[C@H]2Cc2ccccc2)n1 ZINC000737632012 599042082 /nfs/dbraw/zinc/04/20/82/599042082.db2.gz HUZUERAKCCNWBF-ZDUSSCGKSA-N -1 3 374.370 3.492 20 0 FGADHM C[C@@H](Cc1ccsc1)Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000736065307 599045825 /nfs/dbraw/zinc/04/58/25/599045825.db2.gz CIUPNAOMBMVGRV-QMMMGPOBSA-N -1 3 354.361 3.385 20 0 FGADHM C[C@@H](Cc1ccsc1)Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000736065307 599045828 /nfs/dbraw/zinc/04/58/28/599045828.db2.gz CIUPNAOMBMVGRV-QMMMGPOBSA-N -1 3 354.361 3.385 20 0 FGADHM Cc1ccc(NC(=O)CNc2cccc(-c3nnn[n-]3)c2C)c(Cl)c1 ZINC000822242722 607257984 /nfs/dbraw/zinc/25/79/84/607257984.db2.gz VOZWDYYVRYRYIQ-UHFFFAOYSA-N -1 3 356.817 3.188 20 0 FGADHM Cc1ccc(NC(=O)CNc2cccc(-c3nn[n-]n3)c2C)c(Cl)c1 ZINC000822242722 607257985 /nfs/dbraw/zinc/25/79/85/607257985.db2.gz VOZWDYYVRYRYIQ-UHFFFAOYSA-N -1 3 356.817 3.188 20 0 FGADHM CN(c1nc(C(F)(F)F)ccc1-c1nnn[n-]1)[C@H]1CCc2ccccc2C1 ZINC000736844711 599056967 /nfs/dbraw/zinc/05/69/67/599056967.db2.gz XEHASIQRPDXSJM-ZDUSSCGKSA-N -1 3 374.370 3.274 20 0 FGADHM CN(c1nc(C(F)(F)F)ccc1-c1nn[n-]n1)[C@H]1CCc2ccccc2C1 ZINC000736844711 599056970 /nfs/dbraw/zinc/05/69/70/599056970.db2.gz XEHASIQRPDXSJM-ZDUSSCGKSA-N -1 3 374.370 3.274 20 0 FGADHM C[C@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(=O)N1CCc2ccccc21 ZINC000736189364 599062464 /nfs/dbraw/zinc/06/24/64/599062464.db2.gz BUSFIFAKHCDHIW-NSHDSACASA-N -1 3 369.425 3.076 20 0 FGADHM C[C@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(=O)N1CCc2ccccc21 ZINC000736189364 599062467 /nfs/dbraw/zinc/06/24/67/599062467.db2.gz BUSFIFAKHCDHIW-NSHDSACASA-N -1 3 369.425 3.076 20 0 FGADHM CC(C)N(C(=O)[C@@H](C)Sc1ccc(-c2nnn[n-]2)cc1F)C(C)C ZINC000736194235 599063157 /nfs/dbraw/zinc/06/31/57/599063157.db2.gz YHLBIRNLTCYTST-LLVKDONJSA-N -1 3 351.451 3.132 20 0 FGADHM CC(C)N(C(=O)[C@@H](C)Sc1ccc(-c2nn[n-]n2)cc1F)C(C)C ZINC000736194235 599063160 /nfs/dbraw/zinc/06/31/60/599063160.db2.gz YHLBIRNLTCYTST-LLVKDONJSA-N -1 3 351.451 3.132 20 0 FGADHM CN(c1cccc(F)c1-c1nnn[n-]1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000736843029 599063551 /nfs/dbraw/zinc/06/35/51/599063551.db2.gz XXQHXMUTILGWEY-OAHLLOKOSA-N -1 3 352.417 3.111 20 0 FGADHM CN(c1cccc(F)c1-c1nn[n-]n1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000736843029 599063554 /nfs/dbraw/zinc/06/35/54/599063554.db2.gz XXQHXMUTILGWEY-OAHLLOKOSA-N -1 3 352.417 3.111 20 0 FGADHM Cc1ccc(N2CCC[C@@H](Nc3cccc(F)c3-c3nnn[n-]3)C2)cc1 ZINC000822242833 599065790 /nfs/dbraw/zinc/06/57/90/599065790.db2.gz ZHRALIODWXUARY-CQSZACIVSA-N -1 3 352.417 3.395 20 0 FGADHM Cc1ccc(N2CCC[C@@H](Nc3cccc(F)c3-c3nn[n-]n3)C2)cc1 ZINC000822242833 599065793 /nfs/dbraw/zinc/06/57/93/599065793.db2.gz ZHRALIODWXUARY-CQSZACIVSA-N -1 3 352.417 3.395 20 0 FGADHM Cc1nnc(Nc2ccc(OC3CCCC3)c(F)c2)c(-c2nnn[n-]2)c1C ZINC000822516395 599065970 /nfs/dbraw/zinc/06/59/70/599065970.db2.gz YEXANEOAVAZALO-UHFFFAOYSA-N -1 3 369.404 3.478 20 0 FGADHM Cc1nnc(Nc2ccc(OC3CCCC3)c(F)c2)c(-c2nn[n-]n2)c1C ZINC000822516395 599065974 /nfs/dbraw/zinc/06/59/74/599065974.db2.gz YEXANEOAVAZALO-UHFFFAOYSA-N -1 3 369.404 3.478 20 0 FGADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H](C)c1ccco1 ZINC000735830162 599069511 /nfs/dbraw/zinc/06/95/11/599069511.db2.gz SMGRCHCEZOPCGA-AWEZNQCLSA-N -1 3 353.426 3.248 20 0 FGADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@H](C)c1ccco1 ZINC000735830162 599069513 /nfs/dbraw/zinc/06/95/13/599069513.db2.gz SMGRCHCEZOPCGA-AWEZNQCLSA-N -1 3 353.426 3.248 20 0 FGADHM Fc1ccc(-c2nnn[n-]2)cc1CNc1nc(-c2ccccc2)ns1 ZINC000822762186 599071252 /nfs/dbraw/zinc/07/12/52/599071252.db2.gz ZPZXWYXMWMYKGX-UHFFFAOYSA-N -1 3 353.386 3.136 20 0 FGADHM Fc1ccc(-c2nn[n-]n2)cc1CNc1nc(-c2ccccc2)ns1 ZINC000822762186 599071255 /nfs/dbraw/zinc/07/12/55/599071255.db2.gz ZPZXWYXMWMYKGX-UHFFFAOYSA-N -1 3 353.386 3.136 20 0 FGADHM CCc1c(C)sc(NC(=O)c2c(F)cc(F)cc2F)c1-c1nnn[n-]1 ZINC000736674174 599072941 /nfs/dbraw/zinc/07/29/41/599072941.db2.gz AKICRJRVKRWFBQ-UHFFFAOYSA-N -1 3 367.356 3.469 20 0 FGADHM CCc1c(C)sc(NC(=O)c2c(F)cc(F)cc2F)c1-c1nn[n-]n1 ZINC000736674174 599072944 /nfs/dbraw/zinc/07/29/44/599072944.db2.gz AKICRJRVKRWFBQ-UHFFFAOYSA-N -1 3 367.356 3.469 20 0 FGADHM CS[C@@H]1CC[C@@H](Nc2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)C1 ZINC000821951353 599073230 /nfs/dbraw/zinc/07/32/30/599073230.db2.gz XJNONTYWUJDWMZ-NXEZZACHSA-N -1 3 362.409 3.389 20 0 FGADHM CS[C@@H]1CC[C@@H](Nc2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)C1 ZINC000821951353 599073233 /nfs/dbraw/zinc/07/32/33/599073233.db2.gz XJNONTYWUJDWMZ-NXEZZACHSA-N -1 3 362.409 3.389 20 0 FGADHM C[C@@H]1CN(c2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)C[C@@H](C)S1 ZINC000820766160 599074214 /nfs/dbraw/zinc/07/42/14/599074214.db2.gz ADIYGMIBIYRCTA-RKDXNWHRSA-N -1 3 362.409 3.023 20 0 FGADHM C[C@@H]1CN(c2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)C[C@@H](C)S1 ZINC000820766160 599074216 /nfs/dbraw/zinc/07/42/16/599074216.db2.gz ADIYGMIBIYRCTA-RKDXNWHRSA-N -1 3 362.409 3.023 20 0 FGADHM COc1ccccc1O[C@@H](C)CNc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000821904761 599077187 /nfs/dbraw/zinc/07/71/87/599077187.db2.gz ZLTJIFJMVUIURC-NSHDSACASA-N -1 3 359.817 3.408 20 0 FGADHM COc1ccccc1O[C@@H](C)CNc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000821904761 599077188 /nfs/dbraw/zinc/07/71/88/599077188.db2.gz ZLTJIFJMVUIURC-NSHDSACASA-N -1 3 359.817 3.408 20 0 FGADHM Cc1ccc(Oc2ccc(NC(=O)c3cccc(-c4nnn[n-]4)c3)cc2)nn1 ZINC000737366521 599087531 /nfs/dbraw/zinc/08/75/31/599087531.db2.gz SADBWQAYRUIGOU-UHFFFAOYSA-N -1 3 373.376 3.010 20 0 FGADHM Cc1ccc(Oc2ccc(NC(=O)c3cccc(-c4nn[n-]n4)c3)cc2)nn1 ZINC000737366521 599087534 /nfs/dbraw/zinc/08/75/34/599087534.db2.gz SADBWQAYRUIGOU-UHFFFAOYSA-N -1 3 373.376 3.010 20 0 FGADHM CC1(C)CCCN(C(=O)CSCc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736210744 599093165 /nfs/dbraw/zinc/09/31/65/599093165.db2.gz HUIJTRAPJXYQIC-UHFFFAOYSA-N -1 3 359.499 3.139 20 0 FGADHM CC1(C)CCCN(C(=O)CSCc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736210744 599093168 /nfs/dbraw/zinc/09/31/68/599093168.db2.gz HUIJTRAPJXYQIC-UHFFFAOYSA-N -1 3 359.499 3.139 20 0 FGADHM C[C@@H]1CN(c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)[C@H]1c1ccccc1 ZINC000820775498 599095502 /nfs/dbraw/zinc/09/55/02/599095502.db2.gz ILHMXDSHSBTCEY-QMTHXVAHSA-N -1 3 360.343 3.478 20 0 FGADHM C[C@@H]1CN(c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)[C@H]1c1ccccc1 ZINC000820775498 599095504 /nfs/dbraw/zinc/09/55/04/599095504.db2.gz ILHMXDSHSBTCEY-QMTHXVAHSA-N -1 3 360.343 3.478 20 0 FGADHM Cc1cc(NC(=O)CNc2ccc(-c3nn[n-]n3)cc2)ccc1OC(C)C ZINC000737270431 599105443 /nfs/dbraw/zinc/10/54/43/599105443.db2.gz HBFMOMGTCFPTLK-UHFFFAOYSA-N -1 3 366.425 3.013 20 0 FGADHM CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2ccccc2-c2nnn[n-]2)c1C ZINC000735498304 599106918 /nfs/dbraw/zinc/10/69/18/599106918.db2.gz XYIRWCWBENMREX-LBPRGKRZSA-N -1 3 369.450 3.378 20 0 FGADHM CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2ccccc2-c2nn[n-]n2)c1C ZINC000735498304 599106920 /nfs/dbraw/zinc/10/69/20/599106920.db2.gz XYIRWCWBENMREX-LBPRGKRZSA-N -1 3 369.450 3.378 20 0 FGADHM C[C@H](Sc1ccccc1-c1nnn[n-]1)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000736193686 599108593 /nfs/dbraw/zinc/10/85/93/599108593.db2.gz RREAUVSHPAHXDS-RYUDHWBXSA-N -1 3 371.441 3.364 20 0 FGADHM C[C@H](Sc1ccccc1-c1nn[n-]n1)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000736193686 599108595 /nfs/dbraw/zinc/10/85/95/599108595.db2.gz RREAUVSHPAHXDS-RYUDHWBXSA-N -1 3 371.441 3.364 20 0 FGADHM Cc1ccc([C@H]2OCCC[C@H]2CNc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000822233776 599108638 /nfs/dbraw/zinc/10/86/38/599108638.db2.gz UXDUAXKDPNPDKU-MAUKXSAKSA-N -1 3 350.426 3.150 20 0 FGADHM Cc1ccc([C@H]2OCCC[C@H]2CNc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000822233776 599108639 /nfs/dbraw/zinc/10/86/39/599108639.db2.gz UXDUAXKDPNPDKU-MAUKXSAKSA-N -1 3 350.426 3.150 20 0 FGADHM COCCN(C(=O)C[C@H](C)c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736987911 599115360 /nfs/dbraw/zinc/11/53/60/599115360.db2.gz HDRUAAXLCOKHEI-HNNXBMFYSA-N -1 3 365.437 3.040 20 0 FGADHM COCCN(C(=O)C[C@H](C)c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736987911 599115363 /nfs/dbraw/zinc/11/53/63/599115363.db2.gz HDRUAAXLCOKHEI-HNNXBMFYSA-N -1 3 365.437 3.040 20 0 FGADHM CCO[C@@H]1C[C@H](Nc2cc(-c3nnn[n-]3)c3ccccc3n2)C12CCC2 ZINC000736612476 599119670 /nfs/dbraw/zinc/11/96/70/599119670.db2.gz PBTURKYKQARMQX-JKSUJKDBSA-N -1 3 350.426 3.175 20 0 FGADHM CCO[C@@H]1C[C@H](Nc2cc(-c3nn[n-]n3)c3ccccc3n2)C12CCC2 ZINC000736612476 599119673 /nfs/dbraw/zinc/11/96/73/599119673.db2.gz PBTURKYKQARMQX-JKSUJKDBSA-N -1 3 350.426 3.175 20 0 FGADHM C[C@H](CNC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)C(C)(C)C ZINC000736018973 599143959 /nfs/dbraw/zinc/14/39/59/599143959.db2.gz YEEHCVOOFIJYHE-SECBINFHSA-N -1 3 368.388 3.272 20 0 FGADHM C[C@H](CNC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)C(C)(C)C ZINC000736018973 599143961 /nfs/dbraw/zinc/14/39/61/599143961.db2.gz YEEHCVOOFIJYHE-SECBINFHSA-N -1 3 368.388 3.272 20 0 FGADHM CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820939544 599151170 /nfs/dbraw/zinc/15/11/70/599151170.db2.gz WFBWFYYTDZAEKW-FFSVYQOJSA-N -1 3 361.421 3.318 20 0 FGADHM CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820939544 599151172 /nfs/dbraw/zinc/15/11/72/599151172.db2.gz WFBWFYYTDZAEKW-FFSVYQOJSA-N -1 3 361.421 3.318 20 0 FGADHM CC(C)(C)[C@@H]1CCCN(C(=O)CCc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000735596575 599162433 /nfs/dbraw/zinc/16/24/33/599162433.db2.gz KGZOUVZABVVINU-QGZVFWFLSA-N -1 3 355.486 3.474 20 0 FGADHM CC(C)(C)[C@@H]1CCCN(C(=O)CCc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735596575 599162435 /nfs/dbraw/zinc/16/24/35/599162435.db2.gz KGZOUVZABVVINU-QGZVFWFLSA-N -1 3 355.486 3.474 20 0 FGADHM C[C@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(=O)NC1CCC(C)CC1 ZINC000736238861 599168415 /nfs/dbraw/zinc/16/84/15/599168415.db2.gz FEJQHHQHXNXDSQ-AKJDGMEZSA-N -1 3 363.462 3.181 20 0 FGADHM C[C@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(=O)NC1CCC(C)CC1 ZINC000736238861 599168418 /nfs/dbraw/zinc/16/84/18/599168418.db2.gz FEJQHHQHXNXDSQ-AKJDGMEZSA-N -1 3 363.462 3.181 20 0 FGADHM CC(C)Oc1ccc([C@@H](O)CNc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000735915973 599170719 /nfs/dbraw/zinc/17/07/19/599170719.db2.gz WXDLOPVCEHAOLD-KRWDZBQOSA-N -1 3 373.844 3.453 20 0 FGADHM CC(C)Oc1ccc([C@@H](O)CNc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000735915973 599170720 /nfs/dbraw/zinc/17/07/20/599170720.db2.gz WXDLOPVCEHAOLD-KRWDZBQOSA-N -1 3 373.844 3.453 20 0 FGADHM O=C(CCCc1ccc(Cl)cc1)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822959107 599172038 /nfs/dbraw/zinc/17/20/38/599172038.db2.gz RTPISIBTWBKWHI-UHFFFAOYSA-N -1 3 373.819 3.298 20 0 FGADHM O=C(CCCc1ccc(Cl)cc1)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822959107 599172040 /nfs/dbraw/zinc/17/20/40/599172040.db2.gz RTPISIBTWBKWHI-UHFFFAOYSA-N -1 3 373.819 3.298 20 0 FGADHM Cc1csc([C@@H](NC(=S)Nc2ccccc2-c2nnn[n-]2)C2CC2)n1 ZINC000737454994 599173669 /nfs/dbraw/zinc/17/36/69/599173669.db2.gz LFWDBDVEGDAYTK-ZDUSSCGKSA-N -1 3 371.495 3.069 20 0 FGADHM Cc1csc([C@@H](NC(=S)Nc2ccccc2-c2nn[n-]n2)C2CC2)n1 ZINC000737454994 599173672 /nfs/dbraw/zinc/17/36/72/599173672.db2.gz LFWDBDVEGDAYTK-ZDUSSCGKSA-N -1 3 371.495 3.069 20 0 FGADHM Cc1ccc(Br)cc1C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000737305644 599178685 /nfs/dbraw/zinc/17/86/85/599178685.db2.gz IZSQGEJWLKUNLE-UHFFFAOYSA-N -1 3 358.199 3.190 20 0 FGADHM Cc1ccc(Br)cc1C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000737305644 599178687 /nfs/dbraw/zinc/17/86/87/599178687.db2.gz IZSQGEJWLKUNLE-UHFFFAOYSA-N -1 3 358.199 3.190 20 0 FGADHM CCC[C@H](C(=O)NCc1cc(-c2nnn[n-]2)ccc1F)c1ccccc1 ZINC000821008685 599179149 /nfs/dbraw/zinc/17/91/49/599179149.db2.gz JYJDSJIFBKTUBP-INIZCTEOSA-N -1 3 353.401 3.206 20 0 FGADHM CCC[C@H](C(=O)NCc1cc(-c2nn[n-]n2)ccc1F)c1ccccc1 ZINC000821008685 599179152 /nfs/dbraw/zinc/17/91/52/599179152.db2.gz JYJDSJIFBKTUBP-INIZCTEOSA-N -1 3 353.401 3.206 20 0 FGADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)c1csc2ccccc12 ZINC000823242297 599180058 /nfs/dbraw/zinc/18/00/58/599180058.db2.gz UPUFRJXKYYOMTM-UHFFFAOYSA-N -1 3 353.382 3.151 20 0 FGADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)c1csc2ccccc12 ZINC000823242297 599180060 /nfs/dbraw/zinc/18/00/60/599180060.db2.gz UPUFRJXKYYOMTM-UHFFFAOYSA-N -1 3 353.382 3.151 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@@H](C)c1cccc(Cl)c1 ZINC000737024365 599180361 /nfs/dbraw/zinc/18/03/61/599180361.db2.gz HGKFDTSAOLLMDG-JTQLQIEISA-N -1 3 358.785 3.238 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@@H](C)c1cccc(Cl)c1 ZINC000737024365 599180363 /nfs/dbraw/zinc/18/03/63/599180363.db2.gz HGKFDTSAOLLMDG-JTQLQIEISA-N -1 3 358.785 3.238 20 0 FGADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)c1ccc(Cl)cc1Cl ZINC000823242163 599182501 /nfs/dbraw/zinc/18/25/01/599182501.db2.gz QNPITKNDMHYGLE-UHFFFAOYSA-N -1 3 366.183 3.243 20 0 FGADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)c1ccc(Cl)cc1Cl ZINC000823242163 599182502 /nfs/dbraw/zinc/18/25/02/599182502.db2.gz QNPITKNDMHYGLE-UHFFFAOYSA-N -1 3 366.183 3.243 20 0 FGADHM C[C@@H](NC(=O)N1CCC[C@@H]1c1ccco1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736111342 599182612 /nfs/dbraw/zinc/18/26/12/599182612.db2.gz DDRRMOJHDHXEEY-IUODEOHRSA-N -1 3 352.398 3.067 20 0 FGADHM C[C@@H](NC(=O)N1CCC[C@@H]1c1ccco1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736111342 599182614 /nfs/dbraw/zinc/18/26/14/599182614.db2.gz DDRRMOJHDHXEEY-IUODEOHRSA-N -1 3 352.398 3.067 20 0 FGADHM C[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)cn1)c1ccccc1C(F)(F)F ZINC000735550925 599188673 /nfs/dbraw/zinc/18/86/73/599188673.db2.gz NHGJMLUVCJPLJM-VIFPVBQESA-N -1 3 362.315 3.023 20 0 FGADHM C[C@H](C(=O)Nc1ccc(-c2nn[n-]n2)cn1)c1ccccc1C(F)(F)F ZINC000735550925 599188675 /nfs/dbraw/zinc/18/86/75/599188675.db2.gz NHGJMLUVCJPLJM-VIFPVBQESA-N -1 3 362.315 3.023 20 0 FGADHM CO[C@H](C)C(=O)N(Cc1ccccc1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000736958040 599189345 /nfs/dbraw/zinc/18/93/45/599189345.db2.gz MQWCNVZBWIIJSK-GFCCVEGCSA-N -1 3 371.828 3.088 20 0 FGADHM CO[C@H](C)C(=O)N(Cc1ccccc1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000736958040 599189348 /nfs/dbraw/zinc/18/93/48/599189348.db2.gz MQWCNVZBWIIJSK-GFCCVEGCSA-N -1 3 371.828 3.088 20 0 FGADHM C[C@@H](CNC(=O)C=Cc1ccccc1-c1nnn[n-]1)Sc1ccccc1 ZINC000820259940 599191638 /nfs/dbraw/zinc/19/16/38/599191638.db2.gz DKLURCYITPZGKQ-GETOMWPZSA-N -1 3 365.462 3.177 20 0 FGADHM C[C@@H](CNC(=O)C=Cc1ccccc1-c1nn[n-]n1)Sc1ccccc1 ZINC000820259940 599191641 /nfs/dbraw/zinc/19/16/41/599191641.db2.gz DKLURCYITPZGKQ-GETOMWPZSA-N -1 3 365.462 3.177 20 0 FGADHM O=C(c1cccc(-c2nnn[n-]2)c1)N1CC[C@H](CSc2ccccc2)C1 ZINC000823488416 599200488 /nfs/dbraw/zinc/20/04/88/599200488.db2.gz LYZIUKHDCMTJIV-AWEZNQCLSA-N -1 3 365.462 3.121 20 0 FGADHM O=C(c1cccc(-c2nn[n-]n2)c1)N1CC[C@H](CSc2ccccc2)C1 ZINC000823488416 599200489 /nfs/dbraw/zinc/20/04/89/599200489.db2.gz LYZIUKHDCMTJIV-AWEZNQCLSA-N -1 3 365.462 3.121 20 0 FGADHM C[C@@H](COC(=O)CSCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000736038245 599214204 /nfs/dbraw/zinc/21/42/04/599214204.db2.gz SSQRDMBLAPCZCD-AWEZNQCLSA-N -1 3 368.462 3.447 20 0 FGADHM C[C@@H](COC(=O)CSCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000736038245 599214206 /nfs/dbraw/zinc/21/42/06/599214206.db2.gz SSQRDMBLAPCZCD-AWEZNQCLSA-N -1 3 368.462 3.447 20 0 FGADHM CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)c2ccc(-c3nnn[n-]3)cn2)o1 ZINC000821481840 599221144 /nfs/dbraw/zinc/22/11/44/599221144.db2.gz PCKDEMHJRNASFT-BLLLJJGKSA-N -1 3 366.425 3.031 20 0 FGADHM CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)c2ccc(-c3nn[n-]n3)cn2)o1 ZINC000821481840 599221145 /nfs/dbraw/zinc/22/11/45/599221145.db2.gz PCKDEMHJRNASFT-BLLLJJGKSA-N -1 3 366.425 3.031 20 0 FGADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)N1CCC[C@@H]2CCC[C@H]21 ZINC000737832790 599224706 /nfs/dbraw/zinc/22/47/06/599224706.db2.gz MDGWEXDDSSVMMK-MAUKXSAKSA-N -1 3 369.469 3.207 20 0 FGADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)N1CCC[C@@H]2CCC[C@H]21 ZINC000737832790 599224709 /nfs/dbraw/zinc/22/47/09/599224709.db2.gz MDGWEXDDSSVMMK-MAUKXSAKSA-N -1 3 369.469 3.207 20 0 FGADHM O=C(Nc1ccc(Br)c(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000738151729 599225538 /nfs/dbraw/zinc/22/55/38/599225538.db2.gz WMJIQPUEPOYRMZ-UHFFFAOYSA-N -1 3 362.162 3.021 20 0 FGADHM O=C(Nc1ccc(Br)c(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000738151729 599225540 /nfs/dbraw/zinc/22/55/40/599225540.db2.gz WMJIQPUEPOYRMZ-UHFFFAOYSA-N -1 3 362.162 3.021 20 0 FGADHM Fc1ccc(-c2nnn[n-]2)cc1CNC(=S)Nc1ccccc1Cl ZINC000822761264 599229304 /nfs/dbraw/zinc/22/93/04/599229304.db2.gz FYFILEUHAZRYQE-UHFFFAOYSA-N -1 3 362.821 3.146 20 0 FGADHM Fc1ccc(-c2nn[n-]n2)cc1CNC(=S)Nc1ccccc1Cl ZINC000822761264 599229306 /nfs/dbraw/zinc/22/93/06/599229306.db2.gz FYFILEUHAZRYQE-UHFFFAOYSA-N -1 3 362.821 3.146 20 0 FGADHM CC1(C)C[C@@H](NC(=O)NCc2ccc(-c3nnn[n-]3)cc2)c2ccccc21 ZINC000820590546 607261286 /nfs/dbraw/zinc/26/12/86/607261286.db2.gz WGRNZTMOFYWLBH-QGZVFWFLSA-N -1 3 362.437 3.089 20 0 FGADHM CC1(C)C[C@@H](NC(=O)NCc2ccc(-c3nn[n-]n3)cc2)c2ccccc21 ZINC000820590546 607261287 /nfs/dbraw/zinc/26/12/87/607261287.db2.gz WGRNZTMOFYWLBH-QGZVFWFLSA-N -1 3 362.437 3.089 20 0 FGADHM CCCNC(=S)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000821118464 599230137 /nfs/dbraw/zinc/23/01/37/599230137.db2.gz NLJUDJIYLGCFHX-UHFFFAOYSA-N -1 3 372.429 3.495 20 0 FGADHM CCCNC(=S)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000821118464 599230139 /nfs/dbraw/zinc/23/01/39/599230139.db2.gz NLJUDJIYLGCFHX-UHFFFAOYSA-N -1 3 372.429 3.495 20 0 FGADHM CCS[C@@H]1CC[C@H](N(C)C(=S)Nc2ccccc2-c2nnn[n-]2)C1 ZINC000821449420 599231319 /nfs/dbraw/zinc/23/13/19/599231319.db2.gz TWOYPKVFJWFEAF-NWDGAFQWSA-N -1 3 362.528 3.170 20 0 FGADHM CCS[C@@H]1CC[C@H](N(C)C(=S)Nc2ccccc2-c2nn[n-]n2)C1 ZINC000821449420 599231322 /nfs/dbraw/zinc/23/13/22/599231322.db2.gz TWOYPKVFJWFEAF-NWDGAFQWSA-N -1 3 362.528 3.170 20 0 FGADHM Fc1cccc(NCCc2ccc(Br)cc2)c1-c1nnn[n-]1 ZINC000737663769 599231980 /nfs/dbraw/zinc/23/19/80/599231980.db2.gz JZXGFAPXEMLNPO-UHFFFAOYSA-N -1 3 362.206 3.423 20 0 FGADHM Fc1cccc(NCCc2ccc(Br)cc2)c1-c1nn[n-]n1 ZINC000737663769 599231982 /nfs/dbraw/zinc/23/19/82/599231982.db2.gz JZXGFAPXEMLNPO-UHFFFAOYSA-N -1 3 362.206 3.423 20 0 FGADHM CC[C@@H]1CCc2ccccc2N1C(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000820989635 607263710 /nfs/dbraw/zinc/26/37/10/607263710.db2.gz XWGCMMSHHYHGAR-CYBMUJFWSA-N -1 3 368.828 3.287 20 0 FGADHM CC[C@@H]1CCc2ccccc2N1C(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000820989635 607263711 /nfs/dbraw/zinc/26/37/11/607263711.db2.gz XWGCMMSHHYHGAR-CYBMUJFWSA-N -1 3 368.828 3.287 20 0 FGADHM CC1CCC(N(C[C@H]2CCCO2)C(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736241438 599228141 /nfs/dbraw/zinc/22/81/41/599228141.db2.gz NKCCKVQFKCTTQV-IUPXNIOVSA-N -1 3 369.469 3.067 20 0 FGADHM CC1CCC(N(C[C@H]2CCCO2)C(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736241438 599228143 /nfs/dbraw/zinc/22/81/43/599228143.db2.gz NKCCKVQFKCTTQV-IUPXNIOVSA-N -1 3 369.469 3.067 20 0 FGADHM CC[C@@H]1CN(C(=O)CCc2ccc(-c3nnn[n-]3)cc2)c2ccccc2O1 ZINC000736411668 599228407 /nfs/dbraw/zinc/22/84/07/599228407.db2.gz ROLORCURVVGEMJ-MRXNPFEDSA-N -1 3 363.421 3.004 20 0 FGADHM CC[C@@H]1CN(C(=O)CCc2ccc(-c3nn[n-]n3)cc2)c2ccccc2O1 ZINC000736411668 599228409 /nfs/dbraw/zinc/22/84/09/599228409.db2.gz ROLORCURVVGEMJ-MRXNPFEDSA-N -1 3 363.421 3.004 20 0 FGADHM Cc1c(NC(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)cccc1-c1nnn[n-]1 ZINC000822061496 607266418 /nfs/dbraw/zinc/26/64/18/607266418.db2.gz ODMOGXGHTXRQSK-OLZOCXBDSA-N -1 3 355.348 3.196 20 0 FGADHM Cc1c(NC(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)cccc1-c1nn[n-]n1 ZINC000822061496 607266419 /nfs/dbraw/zinc/26/64/19/607266419.db2.gz ODMOGXGHTXRQSK-OLZOCXBDSA-N -1 3 355.348 3.196 20 0 FGADHM Cc1c(NC(=O)C=Cc2ccc3ccccc3n2)cccc1-c1nnn[n-]1 ZINC000822068698 607270438 /nfs/dbraw/zinc/27/04/38/607270438.db2.gz TZXHVHNJXXGIOG-QXMHVHEDSA-N -1 3 356.389 3.375 20 0 FGADHM Cc1c(NC(=O)C=Cc2ccc3ccccc3n2)cccc1-c1nn[n-]n1 ZINC000822068698 607270439 /nfs/dbraw/zinc/27/04/39/607270439.db2.gz TZXHVHNJXXGIOG-QXMHVHEDSA-N -1 3 356.389 3.375 20 0 FGADHM COc1ccc2c(CC(=O)Nc3cccc(-c4nnn[n-]4)c3C)coc2c1 ZINC000821849275 607269296 /nfs/dbraw/zinc/26/92/96/607269296.db2.gz BSPVDXSEEKDTHA-UHFFFAOYSA-N -1 3 363.377 3.111 20 0 FGADHM COc1ccc2c(CC(=O)Nc3cccc(-c4nn[n-]n4)c3C)coc2c1 ZINC000821849275 607269297 /nfs/dbraw/zinc/26/92/97/607269297.db2.gz BSPVDXSEEKDTHA-UHFFFAOYSA-N -1 3 363.377 3.111 20 0 FGADHM C[C@@H](NC(=O)C=Cc1ccnc2ccccc12)c1ccc(-c2nnn[n-]2)cc1 ZINC000736099795 599245884 /nfs/dbraw/zinc/24/58/84/599245884.db2.gz IAQDQQDXIWJWTJ-IWMPZKFUSA-N -1 3 370.416 3.306 20 0 FGADHM C[C@@H](NC(=O)C=Cc1ccnc2ccccc12)c1ccc(-c2nn[n-]n2)cc1 ZINC000736099795 599245886 /nfs/dbraw/zinc/24/58/86/599245886.db2.gz IAQDQQDXIWJWTJ-IWMPZKFUSA-N -1 3 370.416 3.306 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)C=Cc1ccnc2ccccc12 ZINC000737023144 599246297 /nfs/dbraw/zinc/24/62/97/599246297.db2.gz CGBYMWZGKPFJRI-CLFYSBASSA-N -1 3 373.372 3.042 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)C=Cc1ccnc2ccccc12 ZINC000737023144 599246298 /nfs/dbraw/zinc/24/62/98/599246298.db2.gz CGBYMWZGKPFJRI-CLFYSBASSA-N -1 3 373.372 3.042 20 0 FGADHM O=C([O-])Cc1cccc(NC(=O)NC[C@@H]2CCCN2Cc2ccccc2)c1 ZINC000390684816 597199704 /nfs/dbraw/zinc/19/97/04/597199704.db2.gz ZMMVTSDPTUPWJO-IBGZPJMESA-N -1 3 367.449 3.100 20 0 FGADHM C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736232450 599248486 /nfs/dbraw/zinc/24/84/86/599248486.db2.gz DJNZATXZILVFEB-SJKOYZFVSA-N -1 3 351.385 3.229 20 0 FGADHM C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736232450 599248487 /nfs/dbraw/zinc/24/84/87/599248487.db2.gz DJNZATXZILVFEB-SJKOYZFVSA-N -1 3 351.385 3.229 20 0 FGADHM COc1ccc([C@H](C)N(C)C(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1 ZINC000821777566 607281284 /nfs/dbraw/zinc/28/12/84/607281284.db2.gz IFXNEFFWPUTFDY-ZDUSSCGKSA-N -1 3 366.425 3.409 20 0 FGADHM COc1ccc([C@H](C)N(C)C(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1 ZINC000821777566 607281285 /nfs/dbraw/zinc/28/12/85/607281285.db2.gz IFXNEFFWPUTFDY-ZDUSSCGKSA-N -1 3 366.425 3.409 20 0 FGADHM Cc1cccc2sc(C(=O)Nc3ccncc3-c3nnn[n-]3)c(Cl)c21 ZINC000737417816 599252709 /nfs/dbraw/zinc/25/27/09/599252709.db2.gz LQGXJUXLZPIKEM-UHFFFAOYSA-N -1 3 370.825 3.112 20 0 FGADHM Cc1cccc2sc(C(=O)Nc3ccncc3-c3nn[n-]n3)c(Cl)c21 ZINC000737417816 599252711 /nfs/dbraw/zinc/25/27/11/599252711.db2.gz LQGXJUXLZPIKEM-UHFFFAOYSA-N -1 3 370.825 3.112 20 0 FGADHM Cc1c(NC(=O)NCCOc2cccc(Cl)c2)cccc1-c1nnn[n-]1 ZINC000822096125 607287495 /nfs/dbraw/zinc/28/74/95/607287495.db2.gz KDIWQEQJHFSWDU-UHFFFAOYSA-N -1 3 372.816 3.029 20 0 FGADHM Cc1c(NC(=O)NCCOc2cccc(Cl)c2)cccc1-c1nn[n-]n1 ZINC000822096125 607287496 /nfs/dbraw/zinc/28/74/96/607287496.db2.gz KDIWQEQJHFSWDU-UHFFFAOYSA-N -1 3 372.816 3.029 20 0 FGADHM Cc1ccc(-c2ccc(C(=O)Nc3ccncc3-c3nnn[n-]3)c(F)c2)cc1 ZINC000737286963 599254554 /nfs/dbraw/zinc/25/45/54/599254554.db2.gz BPKHXVUQNINLDF-UHFFFAOYSA-N -1 3 374.379 3.050 20 0 FGADHM Cc1ccc(-c2ccc(C(=O)Nc3ccncc3-c3nn[n-]n3)c(F)c2)cc1 ZINC000737286963 599254556 /nfs/dbraw/zinc/25/45/56/599254556.db2.gz BPKHXVUQNINLDF-UHFFFAOYSA-N -1 3 374.379 3.050 20 0 FGADHM CCS[C@@H]1CCCCN(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)C1 ZINC000821456206 607288866 /nfs/dbraw/zinc/28/88/66/607288866.db2.gz ODIOAZNZEFPELD-CYBMUJFWSA-N -1 3 360.487 3.315 20 0 FGADHM CCS[C@@H]1CCCCN(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)C1 ZINC000821456206 607288867 /nfs/dbraw/zinc/28/88/67/607288867.db2.gz ODIOAZNZEFPELD-CYBMUJFWSA-N -1 3 360.487 3.315 20 0 FGADHM Cc1c(NC(=O)N[C@@H](C)c2ccc(F)cc2F)cccc1-c1nnn[n-]1 ZINC000822089846 607283942 /nfs/dbraw/zinc/28/39/42/607283942.db2.gz HGWGELXNRNBZOF-JTQLQIEISA-N -1 3 358.352 3.336 20 0 FGADHM Cc1c(NC(=O)N[C@@H](C)c2ccc(F)cc2F)cccc1-c1nn[n-]n1 ZINC000822089846 607283943 /nfs/dbraw/zinc/28/39/43/607283943.db2.gz HGWGELXNRNBZOF-JTQLQIEISA-N -1 3 358.352 3.336 20 0 FGADHM CCC(CC)n1nccc1C(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820901574 607302122 /nfs/dbraw/zinc/30/21/22/607302122.db2.gz CILUFNPDQXXUSL-LBPRGKRZSA-N -1 3 354.414 3.342 20 0 FGADHM CCC(CC)n1nccc1C(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820901574 607302123 /nfs/dbraw/zinc/30/21/23/607302123.db2.gz CILUFNPDQXXUSL-LBPRGKRZSA-N -1 3 354.414 3.342 20 0 FGADHM CCSCC[C@H](C)N(C)C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821456626 599260120 /nfs/dbraw/zinc/26/01/20/599260120.db2.gz RFSXHLJKAQLIRN-QWHCGFSZSA-N -1 3 362.503 3.101 20 0 FGADHM CCSCC[C@H](C)N(C)C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821456626 599260121 /nfs/dbraw/zinc/26/01/21/599260121.db2.gz RFSXHLJKAQLIRN-QWHCGFSZSA-N -1 3 362.503 3.101 20 0 FGADHM O=C(c1sccc1-c1nnn[n-]1)N(CC(F)(F)F)c1ccccc1 ZINC000738293221 599261285 /nfs/dbraw/zinc/26/12/85/599261285.db2.gz SNAOJYPBPRODMQ-UHFFFAOYSA-N -1 3 353.329 3.137 20 0 FGADHM O=C(c1sccc1-c1nn[n-]n1)N(CC(F)(F)F)c1ccccc1 ZINC000738293221 599261287 /nfs/dbraw/zinc/26/12/87/599261287.db2.gz SNAOJYPBPRODMQ-UHFFFAOYSA-N -1 3 353.329 3.137 20 0 FGADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Oc1cc(Cl)ccc1F ZINC000736186376 599261389 /nfs/dbraw/zinc/26/13/89/599261389.db2.gz AKPBZQMKEBCWTP-SECBINFHSA-N -1 3 362.748 3.032 20 0 FGADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Oc1cc(Cl)ccc1F ZINC000736186376 599261391 /nfs/dbraw/zinc/26/13/91/599261391.db2.gz AKPBZQMKEBCWTP-SECBINFHSA-N -1 3 362.748 3.032 20 0 FGADHM COc1ccc(CNc2ccc(N3CCCCC3)cc2)cc1-c1nnn[n-]1 ZINC000821821564 607307781 /nfs/dbraw/zinc/30/77/81/607307781.db2.gz KZVJGPYAZNCOKB-UHFFFAOYSA-N -1 3 364.453 3.478 20 0 FGADHM COc1ccc(CNc2ccc(N3CCCCC3)cc2)cc1-c1nn[n-]n1 ZINC000821821564 607307782 /nfs/dbraw/zinc/30/77/82/607307782.db2.gz KZVJGPYAZNCOKB-UHFFFAOYSA-N -1 3 364.453 3.478 20 0 FGADHM COc1ccc(CNc2ccc(-c3cnc(C)o3)cc2)cc1-c1nnn[n-]1 ZINC000821821579 607311547 /nfs/dbraw/zinc/31/15/47/607311547.db2.gz LXWYSOGKEWUIRZ-UHFFFAOYSA-N -1 3 362.393 3.451 20 0 FGADHM COc1ccc(CNc2ccc(-c3cnc(C)o3)cc2)cc1-c1nn[n-]n1 ZINC000821821579 607311548 /nfs/dbraw/zinc/31/15/48/607311548.db2.gz LXWYSOGKEWUIRZ-UHFFFAOYSA-N -1 3 362.393 3.451 20 0 FGADHM C[C@@H]1CN(c2ccc(NCc3cccc(-c4nnn[n-]4)c3)cc2)C[C@@H](C)O1 ZINC000820777944 607314968 /nfs/dbraw/zinc/31/49/68/607314968.db2.gz TVPFVYIVRZBCLE-HUUCEWRRSA-N -1 3 364.453 3.092 20 0 FGADHM C[C@@H]1CN(c2ccc(NCc3cccc(-c4nn[n-]n4)c3)cc2)C[C@@H](C)O1 ZINC000820777944 607314969 /nfs/dbraw/zinc/31/49/69/607314969.db2.gz TVPFVYIVRZBCLE-HUUCEWRRSA-N -1 3 364.453 3.092 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N([C@H](C)C1CC1)C1CC1 ZINC000821407707 599267533 /nfs/dbraw/zinc/26/75/33/599267533.db2.gz VNIBPNUQHHRTFZ-LLVKDONJSA-N -1 3 356.430 3.060 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N([C@H](C)C1CC1)C1CC1 ZINC000821407707 599267536 /nfs/dbraw/zinc/26/75/36/599267536.db2.gz VNIBPNUQHHRTFZ-LLVKDONJSA-N -1 3 356.430 3.060 20 0 FGADHM COc1cccc(F)c1[C@@H](C)NC(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000821873534 599269281 /nfs/dbraw/zinc/26/92/81/599269281.db2.gz VGHJWEACMNIYQU-LLVKDONJSA-N -1 3 370.388 3.206 20 0 FGADHM COc1cccc(F)c1[C@@H](C)NC(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000821873534 599269283 /nfs/dbraw/zinc/26/92/83/599269283.db2.gz VGHJWEACMNIYQU-LLVKDONJSA-N -1 3 370.388 3.206 20 0 FGADHM Cc1noc(C)c1CN(C)c1c(-c2nnn[n-]2)cnc2c(C)cc(C)cc21 ZINC000737249393 599270271 /nfs/dbraw/zinc/27/02/71/599270271.db2.gz XTJZKHCCNAWGNB-UHFFFAOYSA-N -1 3 363.425 3.273 20 0 FGADHM Cc1noc(C)c1CN(C)c1c(-c2nn[n-]n2)cnc2c(C)cc(C)cc21 ZINC000737249393 599270273 /nfs/dbraw/zinc/27/02/73/599270273.db2.gz XTJZKHCCNAWGNB-UHFFFAOYSA-N -1 3 363.425 3.273 20 0 FGADHM Cc1cc(NCc2cccc(-c3nnn[n-]3)c2)ccc1OC1CCOCC1 ZINC000822209770 607317658 /nfs/dbraw/zinc/31/76/58/607317658.db2.gz WCIQWDQKCGUYFH-UHFFFAOYSA-N -1 3 365.437 3.345 20 0 FGADHM Cc1cc(NCc2cccc(-c3nn[n-]n3)c2)ccc1OC1CCOCC1 ZINC000822209770 607317659 /nfs/dbraw/zinc/31/76/59/607317659.db2.gz WCIQWDQKCGUYFH-UHFFFAOYSA-N -1 3 365.437 3.345 20 0 FGADHM CO[C@@H](C)c1cccc(NC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)c1 ZINC000821673468 599274836 /nfs/dbraw/zinc/27/48/36/599274836.db2.gz CATRFAFMBJINRY-NSHDSACASA-N -1 3 370.388 3.035 20 0 FGADHM CO[C@@H](C)c1cccc(NC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC000821673468 599274838 /nfs/dbraw/zinc/27/48/38/599274838.db2.gz CATRFAFMBJINRY-NSHDSACASA-N -1 3 370.388 3.035 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CCOc1ccccc1 ZINC000736488434 599275441 /nfs/dbraw/zinc/27/54/41/599275441.db2.gz PYNYSZFXCQDRMC-UHFFFAOYSA-N -1 3 366.425 3.096 20 0 FGADHM O=C(OCc1cc(-c2nnn[n-]2)ccc1F)c1cc2cc(F)ccc2o1 ZINC000738237084 599279773 /nfs/dbraw/zinc/27/97/73/599279773.db2.gz WWWRZOBDRYESSA-UHFFFAOYSA-N -1 3 356.288 3.248 20 0 FGADHM O=C(OCc1cc(-c2nn[n-]n2)ccc1F)c1cc2cc(F)ccc2o1 ZINC000738237084 599279776 /nfs/dbraw/zinc/27/97/76/599279776.db2.gz WWWRZOBDRYESSA-UHFFFAOYSA-N -1 3 356.288 3.248 20 0 FGADHM CCSCC[C@H](C)N(C)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000821454519 599279795 /nfs/dbraw/zinc/27/97/95/599279795.db2.gz GLYWKNJTVYHSJV-JTQLQIEISA-N -1 3 352.439 3.001 20 0 FGADHM CCSCC[C@H](C)N(C)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821454519 599279798 /nfs/dbraw/zinc/27/97/98/599279798.db2.gz GLYWKNJTVYHSJV-JTQLQIEISA-N -1 3 352.439 3.001 20 0 FGADHM CO[C@@H](C)COC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000821673864 607320363 /nfs/dbraw/zinc/32/03/63/607320363.db2.gz NGHGNBZVZLRQLG-LBPRGKRZSA-N -1 3 370.434 3.210 20 0 FGADHM CO[C@@H](C)COC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000821673864 607320364 /nfs/dbraw/zinc/32/03/64/607320364.db2.gz NGHGNBZVZLRQLG-LBPRGKRZSA-N -1 3 370.434 3.210 20 0 FGADHM C[C@@H]1C[C@@H](C)N(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C1 ZINC000820648596 599288031 /nfs/dbraw/zinc/28/80/31/599288031.db2.gz CLFAZMOBJWRGMP-RKDXNWHRSA-N -1 3 354.336 3.148 20 0 FGADHM C[C@@H]1C[C@@H](C)N(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C1 ZINC000820648596 599288033 /nfs/dbraw/zinc/28/80/33/599288033.db2.gz CLFAZMOBJWRGMP-RKDXNWHRSA-N -1 3 354.336 3.148 20 0 FGADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)N1CCCC[C@H]1c1ccco1 ZINC000738094045 599288045 /nfs/dbraw/zinc/28/80/45/599288045.db2.gz ADMINEQXEYMBLS-HNNXBMFYSA-N -1 3 370.388 3.036 20 0 FGADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)N1CCCC[C@H]1c1ccco1 ZINC000738094045 599288046 /nfs/dbraw/zinc/28/80/46/599288046.db2.gz ADMINEQXEYMBLS-HNNXBMFYSA-N -1 3 370.388 3.036 20 0 FGADHM C[C@H](CNC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C1CC1 ZINC000820269509 599288203 /nfs/dbraw/zinc/28/82/03/599288203.db2.gz LVWCPGHITXMEOJ-MRVPVSSYSA-N -1 3 354.336 3.053 20 0 FGADHM C[C@H](CNC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C1CC1 ZINC000820269509 599288206 /nfs/dbraw/zinc/28/82/06/599288206.db2.gz LVWCPGHITXMEOJ-MRVPVSSYSA-N -1 3 354.336 3.053 20 0 FGADHM C[C@H](C1CC1)N(C)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820220894 599288638 /nfs/dbraw/zinc/28/86/38/599288638.db2.gz YYPWLPLQKVZFDY-MRVPVSSYSA-N -1 3 354.336 3.148 20 0 FGADHM C[C@H](C1CC1)N(C)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820220894 599288641 /nfs/dbraw/zinc/28/86/41/599288641.db2.gz YYPWLPLQKVZFDY-MRVPVSSYSA-N -1 3 354.336 3.148 20 0 FGADHM C[C@@H](Sc1ccc(S(C)(=O)=O)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736193945 599289385 /nfs/dbraw/zinc/28/93/85/599289385.db2.gz VIGRZMVZSQJRKA-LLVKDONJSA-N -1 3 360.464 3.124 20 0 FGADHM C[C@@H](Sc1ccc(S(C)(=O)=O)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736193945 599289387 /nfs/dbraw/zinc/28/93/87/599289387.db2.gz VIGRZMVZSQJRKA-LLVKDONJSA-N -1 3 360.464 3.124 20 0 FGADHM CCc1nc(NC(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)sc1C ZINC000821509904 599297317 /nfs/dbraw/zinc/29/73/17/599297317.db2.gz PABNNICDBPVMKW-SECBINFHSA-N -1 3 357.443 3.077 20 0 FGADHM CCC[C@](C)(O)C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000821008184 607323438 /nfs/dbraw/zinc/32/34/38/607323438.db2.gz HTUKJNGEQKSMOP-IBGZPJMESA-N -1 3 367.409 3.149 20 0 FGADHM CCC[C@](C)(O)C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000821008184 607323439 /nfs/dbraw/zinc/32/34/39/607323439.db2.gz HTUKJNGEQKSMOP-IBGZPJMESA-N -1 3 367.409 3.149 20 0 FGADHM CCC(=O)c1cccc(NC(=S)Nc2ccccc2-c2nnn[n-]2)c1 ZINC000820842053 607325729 /nfs/dbraw/zinc/32/57/29/607325729.db2.gz IVCUMWJVGDREQN-UHFFFAOYSA-N -1 3 352.423 3.268 20 0 FGADHM CCC(=O)c1cccc(NC(=S)Nc2ccccc2-c2nn[n-]n2)c1 ZINC000820842053 607325730 /nfs/dbraw/zinc/32/57/30/607325730.db2.gz IVCUMWJVGDREQN-UHFFFAOYSA-N -1 3 352.423 3.268 20 0 FGADHM C[C@@H](CNc1ccc(C(F)(F)F)c(-c2nnn[n-]2)c1)CC1(C)OCCO1 ZINC000820280483 607346039 /nfs/dbraw/zinc/34/60/39/607346039.db2.gz HLLVGBOBUPVHLV-SNVBAGLBSA-N -1 3 371.363 3.087 20 0 FGADHM C[C@@H](CNc1ccc(C(F)(F)F)c(-c2nn[n-]n2)c1)CC1(C)OCCO1 ZINC000820280483 607346041 /nfs/dbraw/zinc/34/60/41/607346041.db2.gz HLLVGBOBUPVHLV-SNVBAGLBSA-N -1 3 371.363 3.087 20 0 FGADHM Cc1cscc1NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000826321224 607339564 /nfs/dbraw/zinc/33/95/64/607339564.db2.gz WCNRWXPRFKSZHU-UHFFFAOYSA-N -1 3 357.439 3.424 20 0 FGADHM Cc1cscc1NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000826321224 607339565 /nfs/dbraw/zinc/33/95/65/607339565.db2.gz WCNRWXPRFKSZHU-UHFFFAOYSA-N -1 3 357.439 3.424 20 0 FGADHM O=C([O-])[C@@H](NCc1cnc2ccc(Br)cn12)c1ccccc1 ZINC000821541590 598214809 /nfs/dbraw/zinc/21/48/09/598214809.db2.gz QIRRVGRYNJLCRL-HNNXBMFYSA-N -1 3 360.211 3.012 20 0 FGADHM CC(C)(C)[C@H]1CCCN1C(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000735594727 598232945 /nfs/dbraw/zinc/23/29/45/598232945.db2.gz AGHCELABEGNAAG-OAHLLOKOSA-N -1 3 359.499 3.137 20 0 FGADHM CC(C)(C)[C@H]1CCCN1C(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000735594727 598232946 /nfs/dbraw/zinc/23/29/46/598232946.db2.gz AGHCELABEGNAAG-OAHLLOKOSA-N -1 3 359.499 3.137 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1NCC1(c2ccccc2)CCOCC1 ZINC000737640725 598238257 /nfs/dbraw/zinc/23/82/57/598238257.db2.gz NJWSSLXBZYHGQJ-UHFFFAOYSA-N -1 3 353.401 3.166 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1NCc1ccnc(N2CCCCC2)c1 ZINC000737643222 598239574 /nfs/dbraw/zinc/23/95/74/598239574.db2.gz DDHHKHTWLJUVNG-UHFFFAOYSA-N -1 3 353.405 3.003 20 0 FGADHM Cc1cccc2c1CC[C@@H]2NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000737408190 598241546 /nfs/dbraw/zinc/24/15/46/598241546.db2.gz GXYLNMAAXQXXIG-KRWDZBQOSA-N -1 3 365.462 3.071 20 0 FGADHM Cc1cccc2c1CC[C@@H]2NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000737408190 598241547 /nfs/dbraw/zinc/24/15/47/598241547.db2.gz GXYLNMAAXQXXIG-KRWDZBQOSA-N -1 3 365.462 3.071 20 0 FGADHM C[C@@H]1CN(c2ccc(Nc3cccc(F)c3-c3nnn[n-]3)cc2)C[C@@H](C)O1 ZINC000736290541 598243005 /nfs/dbraw/zinc/24/30/05/598243005.db2.gz BGHXPAFDZUPCII-CHWSQXEVSA-N -1 3 368.416 3.363 20 0 FGADHM C[C@@H]1CN(c2ccc(Nc3cccc(F)c3-c3nn[n-]n3)cc2)C[C@@H](C)O1 ZINC000736290541 598243007 /nfs/dbraw/zinc/24/30/07/598243007.db2.gz BGHXPAFDZUPCII-CHWSQXEVSA-N -1 3 368.416 3.363 20 0 FGADHM C[C@@H](c1ccc(F)cc1)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000736197896 598255729 /nfs/dbraw/zinc/25/57/29/598255729.db2.gz CWNWRUKMKZJXCK-ZDUSSCGKSA-N -1 3 370.407 3.028 20 0 FGADHM Cc1cccc2c1CC[C@H]2NC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737409508 598256093 /nfs/dbraw/zinc/25/60/93/598256093.db2.gz OUTJAOUOWYYTRF-SCLBCKFNSA-N -1 3 362.437 3.223 20 0 FGADHM Cc1cccc2c1CC[C@H]2NC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737409508 598256094 /nfs/dbraw/zinc/25/60/94/598256094.db2.gz OUTJAOUOWYYTRF-SCLBCKFNSA-N -1 3 362.437 3.223 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N1CC[C@@H](c2cccc(F)c2)C1 ZINC000738152705 598256473 /nfs/dbraw/zinc/25/64/73/598256473.db2.gz YINUHFSGCQARAO-CQSZACIVSA-N -1 3 352.373 3.027 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N1CC[C@@H](c2cccc(F)c2)C1 ZINC000738152705 598256474 /nfs/dbraw/zinc/25/64/74/598256474.db2.gz YINUHFSGCQARAO-CQSZACIVSA-N -1 3 352.373 3.027 20 0 FGADHM Cc1cccc2nc(CNc3ccc(C(F)(F)F)c(-c4nnn[n-]4)c3)cn21 ZINC000822340856 607346669 /nfs/dbraw/zinc/34/66/69/607346669.db2.gz KKXFCMWIVLQLGV-UHFFFAOYSA-N -1 3 373.342 3.454 20 0 FGADHM Cc1cccc2nc(CNc3ccc(C(F)(F)F)c(-c4nn[n-]n4)c3)cn21 ZINC000822340856 607346671 /nfs/dbraw/zinc/34/66/71/607346671.db2.gz KKXFCMWIVLQLGV-UHFFFAOYSA-N -1 3 373.342 3.454 20 0 FGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N[C@@H]1C[C@H]1c1ccccc1 ZINC000735660794 598278953 /nfs/dbraw/zinc/27/89/53/598278953.db2.gz PDFPXBXSWIWEIQ-LSDHHAIUSA-N -1 3 365.441 3.101 20 0 FGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N[C@@H]1C[C@H]1c1ccccc1 ZINC000735660794 598278954 /nfs/dbraw/zinc/27/89/54/598278954.db2.gz PDFPXBXSWIWEIQ-LSDHHAIUSA-N -1 3 365.441 3.101 20 0 FGADHM CN(C(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc(-c2nnn[n-]2)cc1F ZINC000736733744 598280201 /nfs/dbraw/zinc/28/02/01/598280201.db2.gz XSJFADBKLMRVPC-WDEREUQCSA-N -1 3 371.338 3.337 20 0 FGADHM CN(C(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736733744 598280202 /nfs/dbraw/zinc/28/02/02/598280202.db2.gz XSJFADBKLMRVPC-WDEREUQCSA-N -1 3 371.338 3.337 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1OCc1ccn(-c2cccc(F)c2)n1 ZINC000737222419 598282919 /nfs/dbraw/zinc/28/29/19/598282919.db2.gz YTNPBONKGADIMG-UHFFFAOYSA-N -1 3 350.357 3.079 20 0 FGADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H]1CCCc2sccc21 ZINC000821612423 607347692 /nfs/dbraw/zinc/34/76/92/607347692.db2.gz UVSNBFQVPGLQBQ-OAHLLOKOSA-N -1 3 353.451 3.007 20 0 FGADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H]1CCCc2sccc21 ZINC000821612423 607347693 /nfs/dbraw/zinc/34/76/93/607347693.db2.gz UVSNBFQVPGLQBQ-OAHLLOKOSA-N -1 3 353.451 3.007 20 0 FGADHM CC(C)CN(Cc1nc(-c2ccoc2)no1)c1ccc(-c2nn[n-]n2)cc1 ZINC000735831424 598309854 /nfs/dbraw/zinc/30/98/54/598309854.db2.gz RKRBUJMBNOXILP-UHFFFAOYSA-N -1 3 365.397 3.172 20 0 FGADHM CN(C(=O)[C@@H]1CCCc2ccccc21)c1ccc(-c2nnn[n-]2)cc1F ZINC000736733850 598310127 /nfs/dbraw/zinc/31/01/27/598310127.db2.gz ZOOCWJHSXVWCRS-OAHLLOKOSA-N -1 3 351.385 3.089 20 0 FGADHM CN(C(=O)[C@@H]1CCCc2ccccc21)c1ccc(-c2nn[n-]n2)cc1F ZINC000736733850 598310129 /nfs/dbraw/zinc/31/01/29/598310129.db2.gz ZOOCWJHSXVWCRS-OAHLLOKOSA-N -1 3 351.385 3.089 20 0 FGADHM Cc1cc(C)cc(OCCC(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000737249891 598310816 /nfs/dbraw/zinc/31/08/16/598310816.db2.gz DXEXQTFIFFFGJR-UHFFFAOYSA-N -1 3 369.400 3.055 20 0 FGADHM Cc1cc(C)cc(OCCC(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000737249891 598310818 /nfs/dbraw/zinc/31/08/18/598310818.db2.gz DXEXQTFIFFFGJR-UHFFFAOYSA-N -1 3 369.400 3.055 20 0 FGADHM Fc1cc(-c2nnn[n-]2)cc(F)c1N1CCCO[C@H](c2ccccc2)C1 ZINC000737638890 598310867 /nfs/dbraw/zinc/31/08/67/598310867.db2.gz JGYSSNGGLJYADC-INIZCTEOSA-N -1 3 357.364 3.113 20 0 FGADHM Fc1cc(-c2nn[n-]n2)cc(F)c1N1CCCO[C@H](c2ccccc2)C1 ZINC000737638890 598310869 /nfs/dbraw/zinc/31/08/69/598310869.db2.gz JGYSSNGGLJYADC-INIZCTEOSA-N -1 3 357.364 3.113 20 0 FGADHM C[C@@H](Cc1ccco1)NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736066809 598320115 /nfs/dbraw/zinc/32/01/15/598320115.db2.gz QPHXSJXSPGMKBH-VIFPVBQESA-N -1 3 362.846 3.031 20 0 FGADHM C[C@@H](Cc1ccco1)NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736066809 598320117 /nfs/dbraw/zinc/32/01/17/598320117.db2.gz QPHXSJXSPGMKBH-VIFPVBQESA-N -1 3 362.846 3.031 20 0 FGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)NCC1CCCCCCC1 ZINC000738100302 598320130 /nfs/dbraw/zinc/32/01/30/598320130.db2.gz NBRSSQKFELFHBU-UHFFFAOYSA-N -1 3 360.437 3.166 20 0 FGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)NCC1CCCCCCC1 ZINC000738100302 598320132 /nfs/dbraw/zinc/32/01/32/598320132.db2.gz NBRSSQKFELFHBU-UHFFFAOYSA-N -1 3 360.437 3.166 20 0 FGADHM C[C@H](NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cccc(O)c1 ZINC000736128517 598320280 /nfs/dbraw/zinc/32/02/80/598320280.db2.gz XUTXXTQZZDWRPI-VIFPVBQESA-N -1 3 374.857 3.273 20 0 FGADHM C[C@H](NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cccc(O)c1 ZINC000736128517 598320282 /nfs/dbraw/zinc/32/02/82/598320282.db2.gz XUTXXTQZZDWRPI-VIFPVBQESA-N -1 3 374.857 3.273 20 0 FGADHM CCC[C@H]1CCCC[C@H]1NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000736434356 598320508 /nfs/dbraw/zinc/32/05/08/598320508.db2.gz FARCMMDQIHPJRE-BLLLJJGKSA-N -1 3 360.437 3.164 20 0 FGADHM CCC[C@H]1CCCC[C@H]1NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000736434356 598320510 /nfs/dbraw/zinc/32/05/10/598320510.db2.gz FARCMMDQIHPJRE-BLLLJJGKSA-N -1 3 360.437 3.164 20 0 FGADHM CCCC[C@@H]1CCC[C@H]1NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000736440877 598320757 /nfs/dbraw/zinc/32/07/57/598320757.db2.gz HMNHUVZIGWIUMJ-MLGOLLRUSA-N -1 3 360.437 3.164 20 0 FGADHM CCCC[C@@H]1CCC[C@H]1NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000736440877 598320759 /nfs/dbraw/zinc/32/07/59/598320759.db2.gz HMNHUVZIGWIUMJ-MLGOLLRUSA-N -1 3 360.437 3.164 20 0 FGADHM CCOCc1cccc(NC(=S)Nc2ccccc2-c2nnn[n-]2)c1 ZINC000736626471 598324088 /nfs/dbraw/zinc/32/40/88/598324088.db2.gz PBRXDXVXLZLQKE-UHFFFAOYSA-N -1 3 354.439 3.212 20 0 FGADHM CCOCc1cccc(NC(=S)Nc2ccccc2-c2nn[n-]n2)c1 ZINC000736626471 598324089 /nfs/dbraw/zinc/32/40/89/598324089.db2.gz PBRXDXVXLZLQKE-UHFFFAOYSA-N -1 3 354.439 3.212 20 0 FGADHM CSCc1ccc(NC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000737182525 598324274 /nfs/dbraw/zinc/32/42/74/598324274.db2.gz RIUMETZAFCGOBZ-UHFFFAOYSA-N -1 3 372.429 3.191 20 0 FGADHM CSCc1ccc(NC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000737182525 598324276 /nfs/dbraw/zinc/32/42/76/598324276.db2.gz RIUMETZAFCGOBZ-UHFFFAOYSA-N -1 3 372.429 3.191 20 0 FGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)Nc1cc(F)ccc1Cl ZINC000738098741 598324544 /nfs/dbraw/zinc/32/45/44/598324544.db2.gz BBTQEQPBKKZUSU-UHFFFAOYSA-N -1 3 364.743 3.120 20 0 FGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)Nc1cc(F)ccc1Cl ZINC000738098741 598324546 /nfs/dbraw/zinc/32/45/46/598324546.db2.gz BBTQEQPBKKZUSU-UHFFFAOYSA-N -1 3 364.743 3.120 20 0 FGADHM C[C@@H](c1ccc(F)cc1)N(C)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000736197568 598328846 /nfs/dbraw/zinc/32/88/46/598328846.db2.gz AFQNZFSYFCLTBN-NSHDSACASA-N -1 3 372.379 3.048 20 0 FGADHM C[C@@H](c1ccc(F)cc1)N(C)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000736197568 598328848 /nfs/dbraw/zinc/32/88/48/598328848.db2.gz AFQNZFSYFCLTBN-NSHDSACASA-N -1 3 372.379 3.048 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)Oc1ccccc1OC(F)F ZINC000737802557 598360947 /nfs/dbraw/zinc/36/09/47/598360947.db2.gz PLVUJTVKKYEAPG-KTKRTIGZSA-N -1 3 358.304 3.087 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)Oc1ccccc1OC(F)F ZINC000737802557 598360948 /nfs/dbraw/zinc/36/09/48/598360948.db2.gz PLVUJTVKKYEAPG-KTKRTIGZSA-N -1 3 358.304 3.087 20 0 FGADHM COc1ccccc1[C@@H]1CCCCN1C(=O)c1sccc1-c1nnn[n-]1 ZINC000737145057 598361090 /nfs/dbraw/zinc/36/10/90/598361090.db2.gz AUOYRTSKECJAOB-AWEZNQCLSA-N -1 3 369.450 3.304 20 0 FGADHM COc1ccccc1[C@@H]1CCCCN1C(=O)c1sccc1-c1nn[n-]n1 ZINC000737145057 598361092 /nfs/dbraw/zinc/36/10/92/598361092.db2.gz AUOYRTSKECJAOB-AWEZNQCLSA-N -1 3 369.450 3.304 20 0 FGADHM COc1cc2nc(C)sc2cc1NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737055194 598366252 /nfs/dbraw/zinc/36/62/52/598366252.db2.gz KBZVBDZNLQLQCV-UHFFFAOYSA-N -1 3 366.406 3.046 20 0 FGADHM COc1cc2nc(C)sc2cc1NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737055194 598366253 /nfs/dbraw/zinc/36/62/53/598366253.db2.gz KBZVBDZNLQLQCV-UHFFFAOYSA-N -1 3 366.406 3.046 20 0 FGADHM COc1cc2nc(C)sc2cc1NCc1ccc(-c2nnn[n-]2)cc1 ZINC000737055527 598369697 /nfs/dbraw/zinc/36/96/97/598369697.db2.gz ORGOCONWZAFOKL-UHFFFAOYSA-N -1 3 352.423 3.406 20 0 FGADHM COc1cc2nc(C)sc2cc1NCc1ccc(-c2nn[n-]n2)cc1 ZINC000737055527 598369699 /nfs/dbraw/zinc/36/96/99/598369699.db2.gz ORGOCONWZAFOKL-UHFFFAOYSA-N -1 3 352.423 3.406 20 0 FGADHM CN(CC(C)(C)C)C(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000736788821 598380017 /nfs/dbraw/zinc/38/00/17/598380017.db2.gz QGNKMOFHXPSJKZ-UHFFFAOYSA-N -1 3 369.425 3.157 20 0 FGADHM CN(CC(C)(C)C)C(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000736788821 598380020 /nfs/dbraw/zinc/38/00/20/598380020.db2.gz QGNKMOFHXPSJKZ-UHFFFAOYSA-N -1 3 369.425 3.157 20 0 FGADHM Cc1ccc(CN(C(=O)CNc2ccc(-c3nn[n-]n3)cc2)C(C)C)s1 ZINC000737336915 598384405 /nfs/dbraw/zinc/38/44/05/598384405.db2.gz KDDFOYADLKZIPI-UHFFFAOYSA-N -1 3 370.482 3.086 20 0 FGADHM CN(Cc1nc2ccccc2s1)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000736831978 598386198 /nfs/dbraw/zinc/38/61/98/598386198.db2.gz VGXOABDCMBEEDX-UHFFFAOYSA-N -1 3 357.830 3.161 20 0 FGADHM CN(Cc1nc2ccccc2s1)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000736831978 598386200 /nfs/dbraw/zinc/38/62/00/598386200.db2.gz VGXOABDCMBEEDX-UHFFFAOYSA-N -1 3 357.830 3.161 20 0 FGADHM COc1ccc(C(C)(C)CNc2ncc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000737070681 598391958 /nfs/dbraw/zinc/39/19/58/598391958.db2.gz AFPLKSVCWUCDSU-UHFFFAOYSA-N -1 3 358.833 3.313 20 0 FGADHM COc1ccc(C(C)(C)CNc2ncc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000737070681 598391960 /nfs/dbraw/zinc/39/19/60/598391960.db2.gz AFPLKSVCWUCDSU-UHFFFAOYSA-N -1 3 358.833 3.313 20 0 FGADHM COc1cccc([C@@H]2C[C@@H]2C(=O)Nc2sc(C)c(C)c2-c2nnn[n-]2)c1 ZINC000737129567 598394055 /nfs/dbraw/zinc/39/40/55/598394055.db2.gz LEFDDMDADNRMEP-KBPBESRZSA-N -1 3 369.450 3.296 20 0 FGADHM COc1cccc([C@@H]2C[C@@H]2C(=O)Nc2sc(C)c(C)c2-c2nn[n-]n2)c1 ZINC000737129567 598394057 /nfs/dbraw/zinc/39/40/57/598394057.db2.gz LEFDDMDADNRMEP-KBPBESRZSA-N -1 3 369.450 3.296 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1OCC(=O)N[C@@H](c1ccccc1)C(C)C ZINC000737222418 598395553 /nfs/dbraw/zinc/39/55/53/598395553.db2.gz YRAYRJZYANQHLU-LJQANCHMSA-N -1 3 365.437 3.067 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1OCC(=O)N[C@H](c1ccccc1)C(C)C ZINC000737222417 598395571 /nfs/dbraw/zinc/39/55/71/598395571.db2.gz YRAYRJZYANQHLU-IBGZPJMESA-N -1 3 365.437 3.067 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N1CCc2ccc(F)cc2C1 ZINC000823318288 607356173 /nfs/dbraw/zinc/35/61/73/607356173.db2.gz BLJGPAFHWFSKSV-UHFFFAOYSA-N -1 3 372.791 3.249 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N1CCc2ccc(F)cc2C1 ZINC000823318288 607356175 /nfs/dbraw/zinc/35/61/75/607356175.db2.gz BLJGPAFHWFSKSV-UHFFFAOYSA-N -1 3 372.791 3.249 20 0 FGADHM COCCC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)c(Cl)c1 ZINC000736977247 598417969 /nfs/dbraw/zinc/41/79/69/598417969.db2.gz WVGWRFSSFUSCCP-UHFFFAOYSA-N -1 3 373.800 3.287 20 0 FGADHM COCCC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC000736977247 598417970 /nfs/dbraw/zinc/41/79/70/598417970.db2.gz WVGWRFSSFUSCCP-UHFFFAOYSA-N -1 3 373.800 3.287 20 0 FGADHM Cc1cc(C)cc([C@H](C)NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737253287 598423229 /nfs/dbraw/zinc/42/32/29/598423229.db2.gz PZZYDQPDKDHCPK-AWEZNQCLSA-N -1 3 367.478 3.453 20 0 FGADHM Cc1cc(C)cc([C@H](C)NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737253287 598423231 /nfs/dbraw/zinc/42/32/31/598423231.db2.gz PZZYDQPDKDHCPK-AWEZNQCLSA-N -1 3 367.478 3.453 20 0 FGADHM COc1ccc(NCc2ccc(-c3nnn[n-]3)cc2)c(Br)c1 ZINC000737105885 598423911 /nfs/dbraw/zinc/42/39/11/598423911.db2.gz LOAGLBUYVYNFLB-UHFFFAOYSA-N -1 3 360.215 3.250 20 0 FGADHM COc1ccc(NCc2ccc(-c3nn[n-]n3)cc2)c(Br)c1 ZINC000737105885 598423912 /nfs/dbraw/zinc/42/39/12/598423912.db2.gz LOAGLBUYVYNFLB-UHFFFAOYSA-N -1 3 360.215 3.250 20 0 FGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCc2ccccc21 ZINC000735874430 598425560 /nfs/dbraw/zinc/42/55/60/598425560.db2.gz IJRBCOTWGVRNHC-UHFFFAOYSA-N -1 3 362.437 3.260 20 0 FGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCc2ccccc21 ZINC000735874430 598425562 /nfs/dbraw/zinc/42/55/62/598425562.db2.gz IJRBCOTWGVRNHC-UHFFFAOYSA-N -1 3 362.437 3.260 20 0 FGADHM CN(Cc1ccc(F)cc1Cl)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736820582 598428622 /nfs/dbraw/zinc/42/86/22/598428622.db2.gz YNVZLUYVNRSKKM-UHFFFAOYSA-N -1 3 360.780 3.323 20 0 FGADHM CN(Cc1ccc(F)cc1Cl)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736820582 598428624 /nfs/dbraw/zinc/42/86/24/598428624.db2.gz YNVZLUYVNRSKKM-UHFFFAOYSA-N -1 3 360.780 3.323 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)OCc1cnc2ccccc2c1 ZINC000737796933 598433472 /nfs/dbraw/zinc/43/34/72/598433472.db2.gz CMBKLZJJYNNFAJ-MDZDMXLPSA-N -1 3 357.373 3.172 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)OCc1cnc2ccccc2c1 ZINC000737796933 598433474 /nfs/dbraw/zinc/43/34/74/598433474.db2.gz CMBKLZJJYNNFAJ-MDZDMXLPSA-N -1 3 357.373 3.172 20 0 FGADHM CC(C)(C)C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)cn1)c1ccc(F)cc1 ZINC000735594483 598444704 /nfs/dbraw/zinc/44/47/04/598444704.db2.gz SBONYCGTXRNFBU-INIZCTEOSA-N -1 3 368.416 3.308 20 0 FGADHM CC(C)(C)C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)cn1)c1ccc(F)cc1 ZINC000735594483 598444706 /nfs/dbraw/zinc/44/47/06/598444706.db2.gz SBONYCGTXRNFBU-INIZCTEOSA-N -1 3 368.416 3.308 20 0 FGADHM CCOCCN(CC)C(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000736619411 598455641 /nfs/dbraw/zinc/45/56/41/598455641.db2.gz OPXHMCIGNZMYBM-UHFFFAOYSA-N -1 3 365.437 3.032 20 0 FGADHM CCOCCN(CC)C(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000736619411 598455642 /nfs/dbraw/zinc/45/56/42/598455642.db2.gz OPXHMCIGNZMYBM-UHFFFAOYSA-N -1 3 365.437 3.032 20 0 FGADHM Fc1ccc([C@H]2CN(Cc3ccccc3-c3nnn[n-]3)CCO2)cc1Cl ZINC000737652429 598461389 /nfs/dbraw/zinc/46/13/89/598461389.db2.gz XKRHWLLVUYENJP-QGZVFWFLSA-N -1 3 373.819 3.233 20 0 FGADHM Fc1ccc([C@H]2CN(Cc3ccccc3-c3nn[n-]n3)CCO2)cc1Cl ZINC000737652429 598461391 /nfs/dbraw/zinc/46/13/91/598461391.db2.gz XKRHWLLVUYENJP-QGZVFWFLSA-N -1 3 373.819 3.233 20 0 FGADHM c1[nH]c2ccccc2c1CCCNc1nc2c(cc1-c1nnn[n-]1)CCC2 ZINC000738434053 598468399 /nfs/dbraw/zinc/46/83/99/598468399.db2.gz ZNOFRISCUJFFJB-UHFFFAOYSA-N -1 3 359.437 3.276 20 0 FGADHM c1[nH]c2ccccc2c1CCCNc1nc2c(cc1-c1nn[n-]n1)CCC2 ZINC000738434053 598468401 /nfs/dbraw/zinc/46/84/01/598468401.db2.gz ZNOFRISCUJFFJB-UHFFFAOYSA-N -1 3 359.437 3.276 20 0 FGADHM O=C(NCCCc1c[nH]c2ccccc12)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000738077111 598472585 /nfs/dbraw/zinc/47/25/85/598472585.db2.gz ZNEZZIAWRMMUOW-UHFFFAOYSA-N -1 3 361.409 3.102 20 0 FGADHM O=C(NCCCc1c[nH]c2ccccc12)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000738077111 598472586 /nfs/dbraw/zinc/47/25/86/598472586.db2.gz ZNEZZIAWRMMUOW-UHFFFAOYSA-N -1 3 361.409 3.102 20 0 FGADHM O=C(N[C@@H]1C[C@H]1c1ccccc1)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000738019712 598480399 /nfs/dbraw/zinc/48/03/99/598480399.db2.gz LNZPUMBBIRXWGE-RBUKOAKNSA-N -1 3 374.448 3.097 20 0 FGADHM O=C(N[C@@H]1C[C@H]1c1ccccc1)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000738019712 598480400 /nfs/dbraw/zinc/48/04/00/598480400.db2.gz LNZPUMBBIRXWGE-RBUKOAKNSA-N -1 3 374.448 3.097 20 0 FGADHM C[C@@H](OC(=O)[C@@H](C)Cc1cccc(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000736059722 598484207 /nfs/dbraw/zinc/48/42/07/598484207.db2.gz WAKIGQWJXCCCDV-QWHCGFSZSA-N -1 3 354.385 3.489 20 0 FGADHM C[C@@H](OC(=O)[C@@H](C)Cc1cccc(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000736059722 598484208 /nfs/dbraw/zinc/48/42/08/598484208.db2.gz WAKIGQWJXCCCDV-QWHCGFSZSA-N -1 3 354.385 3.489 20 0 FGADHM Cc1c(C(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)oc2c1C(=O)CCC2 ZINC000737208447 598485170 /nfs/dbraw/zinc/48/51/70/598485170.db2.gz BWDPZASXRABZOK-LLVKDONJSA-N -1 3 366.377 3.205 20 0 FGADHM Cc1c(C(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)oc2c1C(=O)CCC2 ZINC000737208447 598485171 /nfs/dbraw/zinc/48/51/71/598485171.db2.gz BWDPZASXRABZOK-LLVKDONJSA-N -1 3 366.377 3.205 20 0 FGADHM CC(=O)Nc1cc(C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)ccc1C ZINC000735481280 598485234 /nfs/dbraw/zinc/48/52/34/598485234.db2.gz ICRQWORNZZUUQK-LBPRGKRZSA-N -1 3 365.393 3.052 20 0 FGADHM CC(=O)Nc1cc(C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)ccc1C ZINC000735481280 598485235 /nfs/dbraw/zinc/48/52/35/598485235.db2.gz ICRQWORNZZUUQK-LBPRGKRZSA-N -1 3 365.393 3.052 20 0 FGADHM Cc1cc(C(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)nn1C(C)(C)C ZINC000737238798 598485373 /nfs/dbraw/zinc/48/53/73/598485373.db2.gz UIMMIMBDANLMKF-GFCCVEGCSA-N -1 3 354.414 3.045 20 0 FGADHM Cc1cc(C(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)nn1C(C)(C)C ZINC000737238798 598485374 /nfs/dbraw/zinc/48/53/74/598485374.db2.gz UIMMIMBDANLMKF-GFCCVEGCSA-N -1 3 354.414 3.045 20 0 FGADHM Cc1ncccc1C(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@@H](C)C2 ZINC000737503371 598493652 /nfs/dbraw/zinc/49/36/52/598493652.db2.gz VBPZIPQMRARYFO-SECBINFHSA-N -1 3 354.439 3.009 20 0 FGADHM Cc1ncccc1C(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@@H](C)C2 ZINC000737503371 598493653 /nfs/dbraw/zinc/49/36/53/598493653.db2.gz VBPZIPQMRARYFO-SECBINFHSA-N -1 3 354.439 3.009 20 0 FGADHM Fc1cccc(Cc2nnc(SCc3cccc(-c4nnn[n-]4)c3)o2)c1 ZINC000737662685 598495217 /nfs/dbraw/zinc/49/52/17/598495217.db2.gz YATUFZKGMOVUPS-UHFFFAOYSA-N -1 3 368.397 3.272 20 0 FGADHM Fc1cccc(Cc2nnc(SCc3cccc(-c4nn[n-]n4)c3)o2)c1 ZINC000737662685 598495218 /nfs/dbraw/zinc/49/52/18/598495218.db2.gz YATUFZKGMOVUPS-UHFFFAOYSA-N -1 3 368.397 3.272 20 0 FGADHM O=C(C[C@@H]1CCCc2ccccc21)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737824532 598495659 /nfs/dbraw/zinc/49/56/59/598495659.db2.gz XIZSHFVRGWRNGD-ZDUSSCGKSA-N -1 3 351.385 3.455 20 0 FGADHM O=C(C[C@@H]1CCCc2ccccc21)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737824532 598495661 /nfs/dbraw/zinc/49/56/61/598495661.db2.gz XIZSHFVRGWRNGD-ZDUSSCGKSA-N -1 3 351.385 3.455 20 0 FGADHM O[C@H](CNc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccc(Cl)cc1 ZINC000738380548 598508974 /nfs/dbraw/zinc/50/89/74/598508974.db2.gz CBEVGFMIBHHRJC-CQSZACIVSA-N -1 3 350.209 3.319 20 0 FGADHM O[C@H](CNc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc(Cl)cc1 ZINC000738380548 598508975 /nfs/dbraw/zinc/50/89/75/598508975.db2.gz CBEVGFMIBHHRJC-CQSZACIVSA-N -1 3 350.209 3.319 20 0 FGADHM C[C@H]1CC[C@H](NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)CC1 ZINC000737196282 598516657 /nfs/dbraw/zinc/51/66/57/598516657.db2.gz DBJSKASDHHHQPK-SAZUREKKSA-N -1 3 354.458 3.119 20 0 FGADHM C[C@H]1CC[C@H](NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)CC1 ZINC000737196282 598516658 /nfs/dbraw/zinc/51/66/58/598516658.db2.gz DBJSKASDHHHQPK-SAZUREKKSA-N -1 3 354.458 3.119 20 0 FGADHM Brc1cccc2c1CC[C@H]2Nc1ncccc1-c1nnn[n-]1 ZINC000735369427 598522103 /nfs/dbraw/zinc/52/21/03/598522103.db2.gz UFPVFAXTHMMXFU-CYBMUJFWSA-N -1 3 357.215 3.124 20 0 FGADHM Brc1cccc2c1CC[C@H]2Nc1ncccc1-c1nn[n-]n1 ZINC000735369427 598522104 /nfs/dbraw/zinc/52/21/04/598522104.db2.gz UFPVFAXTHMMXFU-CYBMUJFWSA-N -1 3 357.215 3.124 20 0 FGADHM CCCC[C@H]1CCC[C@H]1NC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736442240 598528254 /nfs/dbraw/zinc/52/82/54/598528254.db2.gz VXWUPPOOJNAPFK-DOTOQJQBSA-N -1 3 356.474 3.367 20 0 FGADHM CCCC[C@H]1CCC[C@H]1NC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736442240 598528255 /nfs/dbraw/zinc/52/82/55/598528255.db2.gz VXWUPPOOJNAPFK-DOTOQJQBSA-N -1 3 356.474 3.367 20 0 FGADHM CC(=O)c1ccc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)s1 ZINC000735496058 598534088 /nfs/dbraw/zinc/53/40/88/598534088.db2.gz ULQRXRFDRFUVKQ-UHFFFAOYSA-N -1 3 373.463 3.323 20 0 FGADHM CC(=O)c1ccc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)s1 ZINC000735496058 598534090 /nfs/dbraw/zinc/53/40/90/598534090.db2.gz ULQRXRFDRFUVKQ-UHFFFAOYSA-N -1 3 373.463 3.323 20 0 FGADHM CC(C)(C)CCNC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000735601775 598540079 /nfs/dbraw/zinc/54/00/79/598540079.db2.gz CQABMZNHKWRETP-UHFFFAOYSA-N -1 3 369.425 3.205 20 0 FGADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cc(F)ccc1Cl ZINC000736171139 598543689 /nfs/dbraw/zinc/54/36/89/598543689.db2.gz ZZTBRQSGWVKCGV-SECBINFHSA-N -1 3 361.764 3.065 20 0 FGADHM Fc1cc(OCCOc2ccccc2C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000737651301 598547880 /nfs/dbraw/zinc/54/78/80/598547880.db2.gz JQJJSVVMNQCXIL-UHFFFAOYSA-N -1 3 368.290 3.482 20 0 FGADHM Fc1cc(OCCOc2ccccc2C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000737651301 598547881 /nfs/dbraw/zinc/54/78/81/598547881.db2.gz JQJJSVVMNQCXIL-UHFFFAOYSA-N -1 3 368.290 3.482 20 0 FGADHM CC(C)(CNC(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1ccccc1Cl ZINC000735670965 598548066 /nfs/dbraw/zinc/54/80/66/598548066.db2.gz YTOHEDSBOYPGHK-UHFFFAOYSA-N -1 3 369.856 3.157 20 0 FGADHM CC(C)(CNC(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1ccccc1Cl ZINC000735670965 598548068 /nfs/dbraw/zinc/54/80/68/598548068.db2.gz YTOHEDSBOYPGHK-UHFFFAOYSA-N -1 3 369.856 3.157 20 0 FGADHM Fc1ccc(-c2nc(COc3ccc(-c4nnn[n-]4)c(F)c3)co2)cc1 ZINC000737652839 598549055 /nfs/dbraw/zinc/54/90/55/598549055.db2.gz PCCDKLWSXKNBTC-UHFFFAOYSA-N -1 3 355.304 3.379 20 0 FGADHM Fc1ccc(-c2nc(COc3ccc(-c4nn[n-]n4)c(F)c3)co2)cc1 ZINC000737652839 598549056 /nfs/dbraw/zinc/54/90/56/598549056.db2.gz PCCDKLWSXKNBTC-UHFFFAOYSA-N -1 3 355.304 3.379 20 0 FGADHM O=C(COc1ccc(-c2nnn[n-]2)c(F)c1)c1cccc(C(F)(F)F)c1 ZINC000737918647 598551025 /nfs/dbraw/zinc/55/10/25/598551025.db2.gz GYDQBTIXUGNFEN-UHFFFAOYSA-N -1 3 366.274 3.286 20 0 FGADHM O=C(COc1ccc(-c2nn[n-]n2)c(F)c1)c1cccc(C(F)(F)F)c1 ZINC000737918647 598551026 /nfs/dbraw/zinc/55/10/26/598551026.db2.gz GYDQBTIXUGNFEN-UHFFFAOYSA-N -1 3 366.274 3.286 20 0 FGADHM O=C(CSc1nc(-c2ccccc2)c[nH]1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737953267 598569595 /nfs/dbraw/zinc/56/95/95/598569595.db2.gz JVSCPHPZLGRDMT-UHFFFAOYSA-N -1 3 362.418 3.232 20 0 FGADHM O=C(CSc1nc(-c2ccccc2)c[nH]1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737953267 598569596 /nfs/dbraw/zinc/56/95/96/598569596.db2.gz JVSCPHPZLGRDMT-UHFFFAOYSA-N -1 3 362.418 3.232 20 0 FGADHM COc1ccccc1C(C)=CC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737140481 598582586 /nfs/dbraw/zinc/58/25/86/598582586.db2.gz DRZOVSZJIHVUOQ-PKNBQFBNSA-N -1 3 353.357 3.056 20 0 FGADHM COc1ccccc1C(C)=CC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737140481 598582588 /nfs/dbraw/zinc/58/25/88/598582588.db2.gz DRZOVSZJIHVUOQ-PKNBQFBNSA-N -1 3 353.357 3.056 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000738232436 598584402 /nfs/dbraw/zinc/58/44/02/598584402.db2.gz QPZIAPFQPKLLSU-OCCSQVGLSA-N -1 3 374.322 3.131 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000738232436 598584403 /nfs/dbraw/zinc/58/44/03/598584403.db2.gz QPZIAPFQPKLLSU-OCCSQVGLSA-N -1 3 374.322 3.131 20 0 FGADHM CC(C)COc1cccc(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000735844443 598588540 /nfs/dbraw/zinc/58/85/40/598588540.db2.gz KCGCRAMCTLVLFM-UHFFFAOYSA-N -1 3 355.373 3.293 20 0 FGADHM CC(C)COc1cccc(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000735844443 598588542 /nfs/dbraw/zinc/58/85/42/598588542.db2.gz KCGCRAMCTLVLFM-UHFFFAOYSA-N -1 3 355.373 3.293 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1csc(-c2cccs2)n1 ZINC000738166420 598589960 /nfs/dbraw/zinc/58/99/60/598589960.db2.gz UDQLVGHLQGMICD-UHFFFAOYSA-N -1 3 372.410 3.443 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1csc(-c2cccs2)n1 ZINC000738166420 598589961 /nfs/dbraw/zinc/58/99/61/598589961.db2.gz UDQLVGHLQGMICD-UHFFFAOYSA-N -1 3 372.410 3.443 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1C(F)(F)F ZINC000738165292 598592855 /nfs/dbraw/zinc/59/28/55/598592855.db2.gz BKYXSMWWNXSJMI-UHFFFAOYSA-N -1 3 351.263 3.277 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1C(F)(F)F ZINC000738165292 598592858 /nfs/dbraw/zinc/59/28/58/598592858.db2.gz BKYXSMWWNXSJMI-UHFFFAOYSA-N -1 3 351.263 3.277 20 0 FGADHM C/C=C\C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000736304741 598593037 /nfs/dbraw/zinc/59/30/37/598593037.db2.gz QRSVCLVAJPMUFE-RQOWECAXSA-N -1 3 353.357 3.099 20 0 FGADHM C/C=C\C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000736304741 598593039 /nfs/dbraw/zinc/59/30/39/598593039.db2.gz QRSVCLVAJPMUFE-RQOWECAXSA-N -1 3 353.357 3.099 20 0 FGADHM O=C(c1ccccc1SCc1ccc(-c2nnn[n-]2)cc1)N1CCC1 ZINC000738286921 598614512 /nfs/dbraw/zinc/61/45/12/598614512.db2.gz RUNGIEIEDCAJJH-UHFFFAOYSA-N -1 3 351.435 3.005 20 0 FGADHM O=C(c1ccccc1SCc1ccc(-c2nn[n-]n2)cc1)N1CCC1 ZINC000738286921 598614513 /nfs/dbraw/zinc/61/45/13/598614513.db2.gz RUNGIEIEDCAJJH-UHFFFAOYSA-N -1 3 351.435 3.005 20 0 FGADHM CCN(C(=O)c1ccc(C(C)=O)cc1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736504525 598627196 /nfs/dbraw/zinc/62/71/96/598627196.db2.gz BHSONXPWZYTKCB-ZDUSSCGKSA-N -1 3 363.421 3.293 20 0 FGADHM CCN(C(=O)c1ccc(C(C)=O)cc1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736504525 598627197 /nfs/dbraw/zinc/62/71/97/598627197.db2.gz BHSONXPWZYTKCB-ZDUSSCGKSA-N -1 3 363.421 3.293 20 0 FGADHM C[C@H]1Cc2ccccc2[C@@H]1NC(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000736300189 598643394 /nfs/dbraw/zinc/64/33/94/598643394.db2.gz VEHOJJVMGACLQT-MEDUHNTESA-N -1 3 350.451 3.087 20 0 FGADHM C[C@H]1Cc2ccccc2[C@@H]1NC(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000736300189 598643395 /nfs/dbraw/zinc/64/33/95/598643395.db2.gz VEHOJJVMGACLQT-MEDUHNTESA-N -1 3 350.451 3.087 20 0 FGADHM Cc1cccc(CNC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737393884 598648399 /nfs/dbraw/zinc/64/83/99/598648399.db2.gz OCMDKXKTGSJGRI-UHFFFAOYSA-N -1 3 365.437 3.041 20 0 FGADHM Cc1cccc(CNC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737393884 598648401 /nfs/dbraw/zinc/64/84/01/598648401.db2.gz OCMDKXKTGSJGRI-UHFFFAOYSA-N -1 3 365.437 3.041 20 0 FGADHM C[C@@H]1CCCC[C@H]1N(C)C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736272480 598649572 /nfs/dbraw/zinc/64/95/72/598649572.db2.gz PSFZQTCMEKUEDD-CRAIPNDOSA-N -1 3 371.485 3.453 20 0 FGADHM C[C@@H]1CCCC[C@H]1N(C)C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736272480 598649574 /nfs/dbraw/zinc/64/95/74/598649574.db2.gz PSFZQTCMEKUEDD-CRAIPNDOSA-N -1 3 371.485 3.453 20 0 FGADHM CC[C@H](Sc1ccccc1)C(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736389002 598649753 /nfs/dbraw/zinc/64/97/53/598649753.db2.gz ANRZLIRLRIGFGE-KRWDZBQOSA-N -1 3 367.478 3.396 20 0 FGADHM CC[C@H](Sc1ccccc1)C(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736389002 598649755 /nfs/dbraw/zinc/64/97/55/598649755.db2.gz ANRZLIRLRIGFGE-KRWDZBQOSA-N -1 3 367.478 3.396 20 0 FGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000737944262 598651348 /nfs/dbraw/zinc/65/13/48/598651348.db2.gz ZNYFHOHPDXVDMW-FVQBIDKESA-N -1 3 371.510 3.434 20 0 FGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000737944262 598651351 /nfs/dbraw/zinc/65/13/51/598651351.db2.gz ZNYFHOHPDXVDMW-FVQBIDKESA-N -1 3 371.510 3.434 20 0 FGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)OCc1cc2ccccc2o1 ZINC000737946324 598651481 /nfs/dbraw/zinc/65/14/81/598651481.db2.gz AWEFFKIKPJPYOI-UHFFFAOYSA-N -1 3 366.402 3.448 20 0 FGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)OCc1cc2ccccc2o1 ZINC000737946324 598651483 /nfs/dbraw/zinc/65/14/83/598651483.db2.gz AWEFFKIKPJPYOI-UHFFFAOYSA-N -1 3 366.402 3.448 20 0 FGADHM CCC(=O)Nc1cccc(CNc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000736309816 598652791 /nfs/dbraw/zinc/65/27/91/598652791.db2.gz RVBJMDAWIWJIBZ-UHFFFAOYSA-N -1 3 356.817 3.481 20 0 FGADHM CCC(=O)Nc1cccc(CNc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000736309816 598652792 /nfs/dbraw/zinc/65/27/92/598652792.db2.gz RVBJMDAWIWJIBZ-UHFFFAOYSA-N -1 3 356.817 3.481 20 0 FGADHM CC(C)Oc1ccccc1NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000735912683 598653428 /nfs/dbraw/zinc/65/34/28/598653428.db2.gz ARCZOGJXRYPXAU-UHFFFAOYSA-N -1 3 369.450 3.385 20 0 FGADHM CC(C)Oc1ccccc1NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000735912683 598653429 /nfs/dbraw/zinc/65/34/29/598653429.db2.gz ARCZOGJXRYPXAU-UHFFFAOYSA-N -1 3 369.450 3.385 20 0 FGADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2cccnc2OCC(C)C)s1 ZINC000736679237 598654876 /nfs/dbraw/zinc/65/48/76/598654876.db2.gz OYWCJWLGCLVVJK-UHFFFAOYSA-N -1 3 372.454 3.173 20 0 FGADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2cccnc2OCC(C)C)s1 ZINC000736679237 598654878 /nfs/dbraw/zinc/65/48/78/598654878.db2.gz OYWCJWLGCLVVJK-UHFFFAOYSA-N -1 3 372.454 3.173 20 0 FGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)NCC1CCCCCCC1 ZINC000737941319 598655377 /nfs/dbraw/zinc/65/53/77/598655377.db2.gz LJZKSXUUOXXZGO-UHFFFAOYSA-N -1 3 359.499 3.436 20 0 FGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)NCC1CCCCCCC1 ZINC000737941319 598655378 /nfs/dbraw/zinc/65/53/78/598655378.db2.gz LJZKSXUUOXXZGO-UHFFFAOYSA-N -1 3 359.499 3.436 20 0 FGADHM O=C(Cc1cccnc1)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737974687 598655727 /nfs/dbraw/zinc/65/57/27/598655727.db2.gz HGVMDIJWRFASHC-UHFFFAOYSA-N -1 3 372.388 3.235 20 0 FGADHM CCOc1cc(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)ccc1C ZINC000736624782 598657694 /nfs/dbraw/zinc/65/76/94/598657694.db2.gz HRJUYTGNUPTFSI-UHFFFAOYSA-N -1 3 369.450 3.305 20 0 FGADHM CCOc1cc(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)ccc1C ZINC000736624782 598657696 /nfs/dbraw/zinc/65/76/96/598657696.db2.gz HRJUYTGNUPTFSI-UHFFFAOYSA-N -1 3 369.450 3.305 20 0 FGADHM Cc1ccc(C(C)(C)CNC(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000737318601 598662162 /nfs/dbraw/zinc/66/21/62/598662162.db2.gz WJTHZADIAJHRFM-RAXLEYEMSA-N -1 3 361.449 3.282 20 0 FGADHM Cc1ccc(C(C)(C)CNC(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000737318601 598662164 /nfs/dbraw/zinc/66/21/64/598662164.db2.gz WJTHZADIAJHRFM-RAXLEYEMSA-N -1 3 361.449 3.282 20 0 FGADHM CC(C)(C)C[C@H]1CCCN1C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000735603575 598667090 /nfs/dbraw/zinc/66/70/90/598667090.db2.gz LYUJLTNYJPEUGH-CQSZACIVSA-N -1 3 359.499 3.386 20 0 FGADHM CC(C)(C)C[C@H]1CCCN1C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000735603575 598667091 /nfs/dbraw/zinc/66/70/91/598667091.db2.gz LYUJLTNYJPEUGH-CQSZACIVSA-N -1 3 359.499 3.386 20 0 FGADHM CCCN(C(=O)COc1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)cc1 ZINC000736470601 598667795 /nfs/dbraw/zinc/66/77/95/598667795.db2.gz RYEXRIGAGGHPRJ-UHFFFAOYSA-N -1 3 371.828 3.342 20 0 FGADHM CCCN(C(=O)COc1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)cc1 ZINC000736470601 598667797 /nfs/dbraw/zinc/66/77/97/598667797.db2.gz RYEXRIGAGGHPRJ-UHFFFAOYSA-N -1 3 371.828 3.342 20 0 FGADHM O=C(Nc1ccc(Oc2ccccc2)cn1)c1sccc1-c1nnn[n-]1 ZINC000738175960 598672462 /nfs/dbraw/zinc/67/24/62/598672462.db2.gz RKMWVTMQBJFEPG-UHFFFAOYSA-N -1 3 364.390 3.368 20 0 FGADHM O=C(Nc1ccc(Oc2ccccc2)cn1)c1sccc1-c1nn[n-]n1 ZINC000738175960 598672464 /nfs/dbraw/zinc/67/24/64/598672464.db2.gz RKMWVTMQBJFEPG-UHFFFAOYSA-N -1 3 364.390 3.368 20 0 FGADHM C[C@H](SCc1ccc(F)cc1-c1nnn[n-]1)C(=O)N1CCCCCC1 ZINC000736192465 598695964 /nfs/dbraw/zinc/69/59/64/598695964.db2.gz ZCNISDBXRCWIJR-LBPRGKRZSA-N -1 3 363.462 3.030 20 0 FGADHM C[C@H](SCc1ccc(F)cc1-c1nn[n-]n1)C(=O)N1CCCCCC1 ZINC000736192465 598695965 /nfs/dbraw/zinc/69/59/65/598695965.db2.gz ZCNISDBXRCWIJR-LBPRGKRZSA-N -1 3 363.462 3.030 20 0 FGADHM c1csc(-c2nc(CNCc3ccc(-c4nn[n-]n4)cc3)cs2)c1 ZINC000738450257 598698338 /nfs/dbraw/zinc/69/83/38/598698338.db2.gz YHORACQSMFSEIB-UHFFFAOYSA-N -1 3 354.464 3.342 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N[C@@H](c1ccccc1)c1cccnc1 ZINC000738152384 598700041 /nfs/dbraw/zinc/70/00/41/598700041.db2.gz XKIQODAXTXMJGV-SFHVURJKSA-N -1 3 371.404 3.173 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N[C@@H](c1ccccc1)c1cccnc1 ZINC000738152384 598700043 /nfs/dbraw/zinc/70/00/43/598700043.db2.gz XKIQODAXTXMJGV-SFHVURJKSA-N -1 3 371.404 3.173 20 0 FGADHM Cc1ccc(OCCC(=O)OCc2ccc(F)cc2-c2nnn[n-]2)cc1C ZINC000737365956 598706327 /nfs/dbraw/zinc/70/63/27/598706327.db2.gz MWLJDSDINWZYAA-UHFFFAOYSA-N -1 3 370.384 3.135 20 0 FGADHM Cc1ccc(OCCC(=O)OCc2ccc(F)cc2-c2nn[n-]n2)cc1C ZINC000737365956 598706328 /nfs/dbraw/zinc/70/63/28/598706328.db2.gz MWLJDSDINWZYAA-UHFFFAOYSA-N -1 3 370.384 3.135 20 0 FGADHM C[C@H](NC(=O)N[C@@H]1c2ccccc2C[C@@H]1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736115085 598716138 /nfs/dbraw/zinc/71/61/38/598716138.db2.gz WQMBKXPLLCERHQ-LXIYXOSZSA-N -1 3 362.437 3.160 20 0 FGADHM C[C@H](NC(=O)N[C@@H]1c2ccccc2C[C@@H]1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736115085 598716140 /nfs/dbraw/zinc/71/61/40/598716140.db2.gz WQMBKXPLLCERHQ-LXIYXOSZSA-N -1 3 362.437 3.160 20 0 FGADHM CC(=CC(=O)OCc1ccc(F)cc1-c1nnn[n-]1)c1cccc(F)c1 ZINC000735447450 598724124 /nfs/dbraw/zinc/72/41/24/598724124.db2.gz KAMDNCMWWOAZLH-XFFZJAGNSA-N -1 3 356.332 3.292 20 0 FGADHM CC(=CC(=O)OCc1ccc(F)cc1-c1nn[n-]n1)c1cccc(F)c1 ZINC000735447450 598724125 /nfs/dbraw/zinc/72/41/25/598724125.db2.gz KAMDNCMWWOAZLH-XFFZJAGNSA-N -1 3 356.332 3.292 20 0 FGADHM CCC1CCC(N(C)C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC)CC1 ZINC000736394676 598725668 /nfs/dbraw/zinc/72/56/68/598725668.db2.gz DCJZUDFFDHEXGL-UHFFFAOYSA-N -1 3 358.446 3.308 20 0 FGADHM CCC1CCC(N(C)C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC)CC1 ZINC000736394676 598725670 /nfs/dbraw/zinc/72/56/70/598725670.db2.gz DCJZUDFFDHEXGL-UHFFFAOYSA-N -1 3 358.446 3.308 20 0 FGADHM C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736295920 598730554 /nfs/dbraw/zinc/73/05/54/598730554.db2.gz BWBMXWMSEABONO-QLJPJBMISA-N -1 3 352.373 3.061 20 0 FGADHM C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736295920 598730555 /nfs/dbraw/zinc/73/05/55/598730555.db2.gz BWBMXWMSEABONO-QLJPJBMISA-N -1 3 352.373 3.061 20 0 FGADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C[C@@H]1CCc2ccccc2C1 ZINC000736812018 598741933 /nfs/dbraw/zinc/74/19/33/598741933.db2.gz AHGQBEPHZZXOCI-MRXNPFEDSA-N -1 3 361.449 3.020 20 0 FGADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C[C@@H]1CCc2ccccc2C1 ZINC000736812018 598741935 /nfs/dbraw/zinc/74/19/35/598741935.db2.gz AHGQBEPHZZXOCI-MRXNPFEDSA-N -1 3 361.449 3.020 20 0 FGADHM CCSc1ccc([C@@H](C)NC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736668475 598745918 /nfs/dbraw/zinc/74/59/18/598745918.db2.gz ZZXBMOPHYOVMPP-GFCCVEGCSA-N -1 3 353.451 3.470 20 0 FGADHM CCSc1ccc([C@@H](C)NC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736668475 598745920 /nfs/dbraw/zinc/74/59/20/598745920.db2.gz ZZXBMOPHYOVMPP-GFCCVEGCSA-N -1 3 353.451 3.470 20 0 FGADHM O=C(C=C1CCCCC1)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737791562 598746250 /nfs/dbraw/zinc/74/62/50/598746250.db2.gz KCYYPOAKXGPLTC-UHFFFAOYSA-N -1 3 367.453 3.127 20 0 FGADHM Cc1nccn1-c1ccccc1CNc1snc(Cl)c1-c1nnn[n-]1 ZINC000737501782 598747321 /nfs/dbraw/zinc/74/73/21/598747321.db2.gz KACMQEQWTAHMTO-UHFFFAOYSA-N -1 3 372.845 3.083 20 0 FGADHM Cc1nccn1-c1ccccc1CNc1snc(Cl)c1-c1nn[n-]n1 ZINC000737501782 598747323 /nfs/dbraw/zinc/74/73/23/598747323.db2.gz KACMQEQWTAHMTO-UHFFFAOYSA-N -1 3 372.845 3.083 20 0 FGADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OC[C@@H](C)C(F)(F)F ZINC000824207080 607366611 /nfs/dbraw/zinc/36/66/11/607366611.db2.gz PHGHYCLIWLYMBJ-MFKMUULPSA-N -1 3 372.347 3.012 20 0 FGADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)OC[C@@H](C)C(F)(F)F ZINC000824207080 607366613 /nfs/dbraw/zinc/36/66/13/607366613.db2.gz PHGHYCLIWLYMBJ-MFKMUULPSA-N -1 3 372.347 3.012 20 0 FGADHM CC[C@H](Cc1ccccc1)C(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000736348707 598779467 /nfs/dbraw/zinc/77/94/67/598779467.db2.gz BMEGKLOAKSZGGU-CQSZACIVSA-N -1 3 354.385 3.318 20 0 FGADHM CC[C@H](Cc1ccccc1)C(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000736348707 598779468 /nfs/dbraw/zinc/77/94/68/598779468.db2.gz BMEGKLOAKSZGGU-CQSZACIVSA-N -1 3 354.385 3.318 20 0 FGADHM CC(C)(O)CNc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)c(Cl)c1 ZINC000735680334 598786260 /nfs/dbraw/zinc/78/62/60/598786260.db2.gz UPLNFYPDQLTLCK-UHFFFAOYSA-N -1 3 359.817 3.495 20 0 FGADHM CC(C)(O)CNc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC000735680334 598786262 /nfs/dbraw/zinc/78/62/62/598786262.db2.gz UPLNFYPDQLTLCK-UHFFFAOYSA-N -1 3 359.817 3.495 20 0 FGADHM CC(C)CN(C(=O)CO[C@H]1CCC[C@H](C)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000735819500 598789786 /nfs/dbraw/zinc/78/97/86/598789786.db2.gz WRUXYMPSDGHJAK-YJBOKZPZSA-N -1 3 371.485 3.451 20 0 FGADHM CC(C)CN(C(=O)CO[C@H]1CCC[C@H](C)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000735819500 598789787 /nfs/dbraw/zinc/78/97/87/598789787.db2.gz WRUXYMPSDGHJAK-YJBOKZPZSA-N -1 3 371.485 3.451 20 0 FGADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)[C@@H]1CCc2ccccc21 ZINC000738144454 598792359 /nfs/dbraw/zinc/79/23/59/598792359.db2.gz CKLIYKXTSRGGDN-CYBMUJFWSA-N -1 3 371.347 3.137 20 0 FGADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)[C@@H]1CCc2ccccc21 ZINC000738144454 598792360 /nfs/dbraw/zinc/79/23/60/598792360.db2.gz CKLIYKXTSRGGDN-CYBMUJFWSA-N -1 3 371.347 3.137 20 0 FGADHM Fc1ccc([C@H]2CN(c3ccc(Cl)cc3-c3nnn[n-]3)CCO2)cc1 ZINC000737650593 598793842 /nfs/dbraw/zinc/79/38/42/598793842.db2.gz PVKCQPQWZUHWEW-MRXNPFEDSA-N -1 3 359.792 3.237 20 0 FGADHM Fc1ccc([C@H]2CN(c3ccc(Cl)cc3-c3nn[n-]n3)CCO2)cc1 ZINC000737650593 598793843 /nfs/dbraw/zinc/79/38/43/598793843.db2.gz PVKCQPQWZUHWEW-MRXNPFEDSA-N -1 3 359.792 3.237 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)NC/C=C/c1ccccc1 ZINC000736633591 598800043 /nfs/dbraw/zinc/80/00/43/598800043.db2.gz BCNVQPZDLLPNKQ-RMKNXTFCSA-N -1 3 364.409 3.100 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)NC/C=C/c1ccccc1 ZINC000736633591 598800044 /nfs/dbraw/zinc/80/00/44/598800044.db2.gz BCNVQPZDLLPNKQ-RMKNXTFCSA-N -1 3 364.409 3.100 20 0 FGADHM CCN(C(=O)CO[C@@H]1CCCC[C@@H]1C)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736505386 598802527 /nfs/dbraw/zinc/80/25/27/598802527.db2.gz MOTQZDFBGJVNNB-RLFYNMQTSA-N -1 3 371.485 3.372 20 0 FGADHM CCN(C(=O)CO[C@@H]1CCCC[C@@H]1C)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736505386 598802528 /nfs/dbraw/zinc/80/25/28/598802528.db2.gz MOTQZDFBGJVNNB-RLFYNMQTSA-N -1 3 371.485 3.372 20 0 FGADHM CCc1c(C)sc(NC(=O)[C@H](CC)OC2CCCC2)c1-c1nnn[n-]1 ZINC000736670781 598805467 /nfs/dbraw/zinc/80/54/67/598805467.db2.gz RHEMZDWMPLHBRT-ZDUSSCGKSA-N -1 3 363.487 3.475 20 0 FGADHM CCc1c(C)sc(NC(=O)[C@H](CC)OC2CCCC2)c1-c1nn[n-]n1 ZINC000736670781 598805469 /nfs/dbraw/zinc/80/54/69/598805469.db2.gz RHEMZDWMPLHBRT-ZDUSSCGKSA-N -1 3 363.487 3.475 20 0 FGADHM COC(=O)c1ccc(CSCc2cc(-c3nnn[n-]3)ccc2OC)cc1 ZINC000821669721 607367488 /nfs/dbraw/zinc/36/74/88/607367488.db2.gz ZOURIUWAXQPLOZ-UHFFFAOYSA-N -1 3 370.434 3.095 20 0 FGADHM COC(=O)c1ccc(CSCc2cc(-c3nn[n-]n3)ccc2OC)cc1 ZINC000821669721 607367489 /nfs/dbraw/zinc/36/74/89/607367489.db2.gz ZOURIUWAXQPLOZ-UHFFFAOYSA-N -1 3 370.434 3.095 20 0 FGADHM COc1ccc2[nH]cc(CCNc3cccc(F)c3-c3nnn[n-]3)c2c1 ZINC000737117176 598817678 /nfs/dbraw/zinc/81/76/78/598817678.db2.gz XPIAHJKOJPXVKZ-UHFFFAOYSA-N -1 3 352.373 3.150 20 0 FGADHM COc1ccc2[nH]cc(CCNc3cccc(F)c3-c3nn[n-]n3)c2c1 ZINC000737117176 598817679 /nfs/dbraw/zinc/81/76/79/598817679.db2.gz XPIAHJKOJPXVKZ-UHFFFAOYSA-N -1 3 352.373 3.150 20 0 FGADHM c1cc(OCC2CC2)ccc1NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000738418404 598819263 /nfs/dbraw/zinc/81/92/63/598819263.db2.gz GQVJLSHNPYWDEC-UHFFFAOYSA-N -1 3 351.410 3.146 20 0 FGADHM C[C@@H]1C[C@@H]1NC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000820675483 599296344 /nfs/dbraw/zinc/29/63/44/599296344.db2.gz JIYQVNZOHRARHP-YGRLFVJLSA-N -1 3 368.372 3.328 20 0 FGADHM C[C@@H]1C[C@@H]1NC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000820675483 599296346 /nfs/dbraw/zinc/29/63/46/599296346.db2.gz JIYQVNZOHRARHP-YGRLFVJLSA-N -1 3 368.372 3.328 20 0 FGADHM CCc1nc(NC(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)sc1C ZINC000821509904 599297316 /nfs/dbraw/zinc/29/73/16/599297316.db2.gz PABNNICDBPVMKW-SECBINFHSA-N -1 3 357.443 3.077 20 0 FGADHM CCN(C(=O)c1cnc(Cl)c(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736508332 599309719 /nfs/dbraw/zinc/30/97/19/599309719.db2.gz JZHPVGABLQERND-UHFFFAOYSA-N -1 3 363.208 3.235 20 0 FGADHM CCN(C(=O)c1cnc(Cl)c(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736508332 599309722 /nfs/dbraw/zinc/30/97/22/599309722.db2.gz JZHPVGABLQERND-UHFFFAOYSA-N -1 3 363.208 3.235 20 0 FGADHM CC(=O)Nc1cccc2c1CCCN2[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000735488205 599310791 /nfs/dbraw/zinc/31/07/91/599310791.db2.gz GDLWTIDUISYONQ-ZDUSSCGKSA-N -1 3 362.437 3.339 20 0 FGADHM CC(=O)Nc1cccc2c1CCCN2[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000735488205 599310794 /nfs/dbraw/zinc/31/07/94/599310794.db2.gz GDLWTIDUISYONQ-ZDUSSCGKSA-N -1 3 362.437 3.339 20 0 FGADHM FC(F)(F)Oc1ccccc1NCCOc1cccc(-c2nnn[n-]2)c1 ZINC000737627989 599326401 /nfs/dbraw/zinc/32/64/01/599326401.db2.gz SOFLXAFOWBVMNQ-UHFFFAOYSA-N -1 3 365.315 3.256 20 0 FGADHM FC(F)(F)Oc1ccccc1NCCOc1cccc(-c2nn[n-]n2)c1 ZINC000737627989 599326403 /nfs/dbraw/zinc/32/64/03/599326403.db2.gz SOFLXAFOWBVMNQ-UHFFFAOYSA-N -1 3 365.315 3.256 20 0 FGADHM C[C@@H](S[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCCCCC1 ZINC000736187921 599330167 /nfs/dbraw/zinc/33/01/67/599330167.db2.gz DERVYXPHJRVGIP-UONOGXRCSA-N -1 3 359.499 3.452 20 0 FGADHM C[C@@H](S[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCCCCC1 ZINC000736187921 599330170 /nfs/dbraw/zinc/33/01/70/599330170.db2.gz DERVYXPHJRVGIP-UONOGXRCSA-N -1 3 359.499 3.452 20 0 FGADHM CCN(Cc1ccccc1)C(=O)CSc1ccccc1-c1nnn[n-]1 ZINC000821222403 599344711 /nfs/dbraw/zinc/34/47/11/599344711.db2.gz QVHFRNBOIKMEPV-UHFFFAOYSA-N -1 3 353.451 3.008 20 0 FGADHM CCN(Cc1ccccc1)C(=O)CSc1ccccc1-c1nn[n-]n1 ZINC000821222403 599344714 /nfs/dbraw/zinc/34/47/14/599344714.db2.gz QVHFRNBOIKMEPV-UHFFFAOYSA-N -1 3 353.451 3.008 20 0 FGADHM CC(C)[C@@H](Sc1ccccc1-c1nnn[n-]1)C(=O)N1CCC[C@H](C)C1 ZINC000820703048 599347152 /nfs/dbraw/zinc/34/71/52/599347152.db2.gz CLGHTETYLFBMKC-XJKSGUPXSA-N -1 3 359.499 3.242 20 0 FGADHM CC(C)[C@@H](Sc1ccccc1-c1nn[n-]n1)C(=O)N1CCC[C@H](C)C1 ZINC000820703048 599347153 /nfs/dbraw/zinc/34/71/53/599347153.db2.gz CLGHTETYLFBMKC-XJKSGUPXSA-N -1 3 359.499 3.242 20 0 FGADHM CC(C)[C@H](Sc1ccccc1-c1nnn[n-]1)C(=O)N1CCC[C@@H](C)C1 ZINC000820703044 599347545 /nfs/dbraw/zinc/34/75/45/599347545.db2.gz CLGHTETYLFBMKC-CJNGLKHVSA-N -1 3 359.499 3.242 20 0 FGADHM CC(C)[C@H](Sc1ccccc1-c1nn[n-]n1)C(=O)N1CCC[C@@H](C)C1 ZINC000820703044 599347548 /nfs/dbraw/zinc/34/75/48/599347548.db2.gz CLGHTETYLFBMKC-CJNGLKHVSA-N -1 3 359.499 3.242 20 0 FGADHM Cc1ccccc1CCNC(=O)[C@H](C)Sc1ccccc1-c1nnn[n-]1 ZINC000822356126 599348125 /nfs/dbraw/zinc/34/81/25/599348125.db2.gz KBJWEQBCVFOBPZ-AWEZNQCLSA-N -1 3 367.478 3.015 20 0 FGADHM Cc1ccccc1CCNC(=O)[C@H](C)Sc1ccccc1-c1nn[n-]n1 ZINC000822356126 599348127 /nfs/dbraw/zinc/34/81/27/599348127.db2.gz KBJWEQBCVFOBPZ-AWEZNQCLSA-N -1 3 367.478 3.015 20 0 FGADHM CC(C)[C@H](Sc1ccccc1-c1nnn[n-]1)C(=O)N1CCCC[C@@H]1C ZINC000820031187 599348707 /nfs/dbraw/zinc/34/87/07/599348707.db2.gz BJLQIVZJUHFJAD-BBRMVZONSA-N -1 3 359.499 3.384 20 0 FGADHM CC(C)[C@H](Sc1ccccc1-c1nn[n-]n1)C(=O)N1CCCC[C@@H]1C ZINC000820031187 599348709 /nfs/dbraw/zinc/34/87/09/599348709.db2.gz BJLQIVZJUHFJAD-BBRMVZONSA-N -1 3 359.499 3.384 20 0 FGADHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1N1CCC(OCC2CC2)CC1 ZINC000822718534 599358996 /nfs/dbraw/zinc/35/89/96/599358996.db2.gz LZJILBFFADVCMO-UHFFFAOYSA-N -1 3 367.375 3.281 20 0 FGADHM O=C(Nc1nc(-c2cccc(O)c2)cs1)c1sccc1-c1nnn[n-]1 ZINC000823375654 599365959 /nfs/dbraw/zinc/36/59/59/599365959.db2.gz DAJQZEMLVLOJFH-UHFFFAOYSA-N -1 3 370.419 3.010 20 0 FGADHM O=C(Nc1nc(-c2cccc(O)c2)cs1)c1sccc1-c1nn[n-]n1 ZINC000823375654 599365962 /nfs/dbraw/zinc/36/59/62/599365962.db2.gz DAJQZEMLVLOJFH-UHFFFAOYSA-N -1 3 370.419 3.010 20 0 FGADHM CCC[C@@H](O)CC(=O)OCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000736434105 599367883 /nfs/dbraw/zinc/36/78/83/599367883.db2.gz DCHQQYJUIFPLKP-MRXNPFEDSA-N -1 3 366.421 3.128 20 0 FGADHM CCC[C@@H](O)CC(=O)OCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000736434105 599367885 /nfs/dbraw/zinc/36/78/85/599367885.db2.gz DCHQQYJUIFPLKP-MRXNPFEDSA-N -1 3 366.421 3.128 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1CNc1ccc(C)c(NC(C)=O)c1C ZINC000821737498 607371485 /nfs/dbraw/zinc/37/14/85/607371485.db2.gz WYBCUJOXORRXEN-UHFFFAOYSA-N -1 3 366.425 3.063 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1CNc1ccc(C)c(NC(C)=O)c1C ZINC000821737498 607371486 /nfs/dbraw/zinc/37/14/86/607371486.db2.gz WYBCUJOXORRXEN-UHFFFAOYSA-N -1 3 366.425 3.063 20 0 FGADHM Cc1cccc(Cl)c1OC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000737396674 599374097 /nfs/dbraw/zinc/37/40/97/599374097.db2.gz JTRZSCCPQHXIQY-NSHDSACASA-N -1 3 358.785 3.201 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1CNc1ccc(C)c(OC(F)F)c1 ZINC000821736832 607371611 /nfs/dbraw/zinc/37/16/11/607371611.db2.gz OXXFLJQKGPRRLD-UHFFFAOYSA-N -1 3 361.352 3.397 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1CNc1ccc(C)c(OC(F)F)c1 ZINC000821736832 607371614 /nfs/dbraw/zinc/37/16/14/607371614.db2.gz OXXFLJQKGPRRLD-UHFFFAOYSA-N -1 3 361.352 3.397 20 0 FGADHM Cc1sc(NC(=O)COc2ccc(-c3nn[n-]n3)cc2C)c(C)c1C ZINC000822135524 599385058 /nfs/dbraw/zinc/38/50/58/599385058.db2.gz DDGFWWRBWWNOTF-UHFFFAOYSA-N -1 3 357.439 3.179 20 0 FGADHM COc1ccc(CNc2cc(-c3nnn[n-]3)c3ccccc3n2)cc1OC ZINC000737096283 599393877 /nfs/dbraw/zinc/39/38/77/599393877.db2.gz SYGVMCKRMNTXHN-UHFFFAOYSA-N -1 3 362.393 3.044 20 0 FGADHM COc1ccc(CNc2cc(-c3nn[n-]n3)c3ccccc3n2)cc1OC ZINC000737096283 599393879 /nfs/dbraw/zinc/39/38/79/599393879.db2.gz SYGVMCKRMNTXHN-UHFFFAOYSA-N -1 3 362.393 3.044 20 0 FGADHM CCc1ccc([C@H](C)NC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000821480944 599401975 /nfs/dbraw/zinc/40/19/75/599401975.db2.gz GKGOLRQKXMRGSX-LBPRGKRZSA-N -1 3 368.416 3.129 20 0 FGADHM CCc1ccc([C@H](C)NC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000821480944 599401977 /nfs/dbraw/zinc/40/19/77/599401977.db2.gz GKGOLRQKXMRGSX-LBPRGKRZSA-N -1 3 368.416 3.129 20 0 FGADHM CCc1ccc(CNC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)s1 ZINC000821487896 599409805 /nfs/dbraw/zinc/40/98/05/599409805.db2.gz ZXNPAUAQDGHZQL-LLVKDONJSA-N -1 3 356.455 3.051 20 0 FGADHM CCc1ccc(CNC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)s1 ZINC000821487896 599409808 /nfs/dbraw/zinc/40/98/08/599409808.db2.gz ZXNPAUAQDGHZQL-LLVKDONJSA-N -1 3 356.455 3.051 20 0 FGADHM COC(=O)c1cccc(CNc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)c1 ZINC000821669866 607374847 /nfs/dbraw/zinc/37/48/47/607374847.db2.gz BIXOAFALKVUUIY-UHFFFAOYSA-N -1 3 367.409 3.053 20 0 FGADHM COC(=O)c1cccc(CNc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)c1 ZINC000821669866 607374849 /nfs/dbraw/zinc/37/48/49/607374849.db2.gz BIXOAFALKVUUIY-UHFFFAOYSA-N -1 3 367.409 3.053 20 0 FGADHM C[C@@H](CCNc1cc(Cl)ccc1-c1nnn[n-]1)NC(=O)OC(C)(C)C ZINC000735987366 599422121 /nfs/dbraw/zinc/42/21/21/599422121.db2.gz STRXVBMCRCKREC-JTQLQIEISA-N -1 3 366.853 3.235 20 0 FGADHM C[C@@H](CCNc1cc(Cl)ccc1-c1nn[n-]n1)NC(=O)OC(C)(C)C ZINC000735987366 599422123 /nfs/dbraw/zinc/42/21/23/599422123.db2.gz STRXVBMCRCKREC-JTQLQIEISA-N -1 3 366.853 3.235 20 0 FGADHM COc1ccc2c(c1)CCCN(c1cc(-c3nnn[n-]3)c3ccccc3n1)C2 ZINC000737118241 599427609 /nfs/dbraw/zinc/42/76/09/599427609.db2.gz CQDCUTCSTSUEEI-UHFFFAOYSA-N -1 3 372.432 3.376 20 0 FGADHM COc1ccc2c(c1)CCCN(c1cc(-c3nn[n-]n3)c3ccccc3n1)C2 ZINC000737118241 599427612 /nfs/dbraw/zinc/42/76/12/599427612.db2.gz CQDCUTCSTSUEEI-UHFFFAOYSA-N -1 3 372.432 3.376 20 0 FGADHM O[C@]1(CNc2cc(-c3nnn[n-]3)c3ccccc3n2)CCCc2ccccc21 ZINC000738387628 599434984 /nfs/dbraw/zinc/43/49/84/599434984.db2.gz BVPWZVPQHMOKJZ-NRFANRHFSA-N -1 3 372.432 3.051 20 0 FGADHM O[C@]1(CNc2cc(-c3nn[n-]n3)c3ccccc3n2)CCCc2ccccc21 ZINC000738387628 599434988 /nfs/dbraw/zinc/43/49/88/599434988.db2.gz BVPWZVPQHMOKJZ-NRFANRHFSA-N -1 3 372.432 3.051 20 0 FGADHM C[C@@H](NC(=O)N[C@@H]1CCc2ccc(F)cc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820358899 599436586 /nfs/dbraw/zinc/43/65/86/599436586.db2.gz QEKOMCMYQRKXRN-PIGZYNQJSA-N -1 3 366.400 3.054 20 0 FGADHM C[C@@H](NC(=O)N[C@@H]1CCc2ccc(F)cc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820358899 599436587 /nfs/dbraw/zinc/43/65/87/599436587.db2.gz QEKOMCMYQRKXRN-PIGZYNQJSA-N -1 3 366.400 3.054 20 0 FGADHM CCc1nc([C@@H](C)NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000821505929 599440417 /nfs/dbraw/zinc/44/04/17/599440417.db2.gz USBKLRLLGWHMAE-WDEREUQCSA-N -1 3 371.470 3.007 20 0 FGADHM CCc1nc([C@@H](C)NC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000821505929 599440421 /nfs/dbraw/zinc/44/04/21/599440421.db2.gz USBKLRLLGWHMAE-WDEREUQCSA-N -1 3 371.470 3.007 20 0 FGADHM Fc1cc(F)c2ncc(-c3nnn[n-]3)c(NCCNc3ccccc3)c2c1 ZINC000737650302 599441519 /nfs/dbraw/zinc/44/15/19/599441519.db2.gz HDSFSXHQMHGWKD-UHFFFAOYSA-N -1 3 367.363 3.217 20 0 FGADHM Fc1cc(F)c2ncc(-c3nn[n-]n3)c(NCCNc3ccccc3)c2c1 ZINC000737650302 599441522 /nfs/dbraw/zinc/44/15/22/599441522.db2.gz HDSFSXHQMHGWKD-UHFFFAOYSA-N -1 3 367.363 3.217 20 0 FGADHM C[C@H](NC(=O)NCC[C@H]1CCCC[C@@H]1C)c1cccc(-c2nnn[n-]2)c1 ZINC000820366328 599442401 /nfs/dbraw/zinc/44/24/01/599442401.db2.gz NBKGOHBFRAMURT-SOUVJXGZSA-N -1 3 356.474 3.443 20 0 FGADHM C[C@H](NC(=O)NCC[C@H]1CCCC[C@@H]1C)c1cccc(-c2nn[n-]n2)c1 ZINC000820366328 599442404 /nfs/dbraw/zinc/44/24/04/599442404.db2.gz NBKGOHBFRAMURT-SOUVJXGZSA-N -1 3 356.474 3.443 20 0 FGADHM Fc1ccc(-c2nn[n-]n2)cc1CNCc1ccc(CSC(F)F)o1 ZINC000822761483 599456737 /nfs/dbraw/zinc/45/67/37/599456737.db2.gz NLSIBSNVDHBLDN-UHFFFAOYSA-N -1 3 369.372 3.344 20 0 FGADHM Cc1cccc([C@H](C)NC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)c1C ZINC000822289395 599464698 /nfs/dbraw/zinc/46/46/98/599464698.db2.gz WSULHKVWGODBFK-ZDUSSCGKSA-N -1 3 368.416 3.183 20 0 FGADHM Cc1cccc([C@H](C)NC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)c1C ZINC000822289395 599464701 /nfs/dbraw/zinc/46/47/01/599464701.db2.gz WSULHKVWGODBFK-ZDUSSCGKSA-N -1 3 368.416 3.183 20 0 FGADHM CCC(CC)(CNC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1)SC ZINC000820887356 599469194 /nfs/dbraw/zinc/46/91/94/599469194.db2.gz AMEUAZOFOYVFBW-GFCCVEGCSA-N -1 3 362.503 3.149 20 0 FGADHM CCC(CC)(CNC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1)SC ZINC000820887356 599469196 /nfs/dbraw/zinc/46/91/96/599469196.db2.gz AMEUAZOFOYVFBW-GFCCVEGCSA-N -1 3 362.503 3.149 20 0 FGADHM C[C@@H](CNC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC000820259672 599470328 /nfs/dbraw/zinc/47/03/28/599470328.db2.gz AWBKCKHSEFCQCI-STQMWFEESA-N -1 3 368.416 3.170 20 0 FGADHM C[C@@H](CNC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC000820259672 599470330 /nfs/dbraw/zinc/47/03/30/599470330.db2.gz AWBKCKHSEFCQCI-STQMWFEESA-N -1 3 368.416 3.170 20 0 FGADHM Cc1ccc([C@H](C)NC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)s1 ZINC000822228710 599472124 /nfs/dbraw/zinc/47/21/24/599472124.db2.gz CYZIMWFTNDHHCH-NEPJUHHUSA-N -1 3 356.455 3.358 20 0 FGADHM Cc1ccc([C@H](C)NC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)s1 ZINC000822228710 599472126 /nfs/dbraw/zinc/47/21/26/599472126.db2.gz CYZIMWFTNDHHCH-NEPJUHHUSA-N -1 3 356.455 3.358 20 0 FGADHM Cc1cc(C)c(-c2nnn[n-]2)c(N2C[C@H](c3ccc(F)cc3)C[C@H]2C)n1 ZINC000737247068 599472205 /nfs/dbraw/zinc/47/22/05/599472205.db2.gz YOQSPYMMLVZBSR-UKRRQHHQSA-N -1 3 352.417 3.400 20 0 FGADHM Cc1cc(C)c(-c2nn[n-]n2)c(N2C[C@H](c3ccc(F)cc3)C[C@H]2C)n1 ZINC000737247068 599472206 /nfs/dbraw/zinc/47/22/06/599472206.db2.gz YOQSPYMMLVZBSR-UKRRQHHQSA-N -1 3 352.417 3.400 20 0 FGADHM C[C@H](NC(=O)N(C)CCCc1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820343095 599472891 /nfs/dbraw/zinc/47/28/91/599472891.db2.gz ZZOMJEPRSDAVJE-HNNXBMFYSA-N -1 3 364.453 3.202 20 0 FGADHM C[C@H](NC(=O)N(C)CCCc1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820343095 599472892 /nfs/dbraw/zinc/47/28/92/599472892.db2.gz ZZOMJEPRSDAVJE-HNNXBMFYSA-N -1 3 364.453 3.202 20 0 FGADHM CCOC1CCN(c2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)CC1 ZINC000821367341 599489735 /nfs/dbraw/zinc/48/97/35/599489735.db2.gz HCIJQGPZHSDLIO-UHFFFAOYSA-N -1 3 358.833 3.074 20 0 FGADHM CCOC1CCN(c2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)CC1 ZINC000821367341 599489738 /nfs/dbraw/zinc/48/97/38/599489738.db2.gz HCIJQGPZHSDLIO-UHFFFAOYSA-N -1 3 358.833 3.074 20 0 FGADHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2NCc1ccc(F)c(F)c1 ZINC000822204119 599496028 /nfs/dbraw/zinc/49/60/28/599496028.db2.gz DYDSQUQMIGMVHB-UHFFFAOYSA-N -1 3 370.338 3.175 20 0 FGADHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2NCc1ccc(F)c(F)c1 ZINC000822204119 599496030 /nfs/dbraw/zinc/49/60/30/599496030.db2.gz DYDSQUQMIGMVHB-UHFFFAOYSA-N -1 3 370.338 3.175 20 0 FGADHM C[C@@H](Oc1ccccc1Cl)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820549447 599500031 /nfs/dbraw/zinc/50/00/31/599500031.db2.gz MUPYQAOZSALEKN-NWDGAFQWSA-N -1 3 371.828 3.165 20 0 FGADHM C[C@@H](Oc1ccccc1Cl)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820549447 599500036 /nfs/dbraw/zinc/50/00/36/599500036.db2.gz MUPYQAOZSALEKN-NWDGAFQWSA-N -1 3 371.828 3.165 20 0 FGADHM C[C@H](CCc1ccc2c(c1)OCO2)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820252771 599502189 /nfs/dbraw/zinc/50/21/89/599502189.db2.gz DMXCRKWRBKWJIN-LLVKDONJSA-N -1 3 355.373 3.168 20 0 FGADHM C[C@H](CCc1ccc2c(c1)OCO2)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820252771 599502191 /nfs/dbraw/zinc/50/21/91/599502191.db2.gz DMXCRKWRBKWJIN-LLVKDONJSA-N -1 3 355.373 3.168 20 0 FGADHM C[C@H](NC(=O)CSCc1ccc(F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820333443 599504077 /nfs/dbraw/zinc/50/40/77/599504077.db2.gz BVSYMBGUBAXPBH-LBPRGKRZSA-N -1 3 371.441 3.116 20 0 FGADHM C[C@H](NC(=O)CSCc1ccc(F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820333443 599504078 /nfs/dbraw/zinc/50/40/78/599504078.db2.gz BVSYMBGUBAXPBH-LBPRGKRZSA-N -1 3 371.441 3.116 20 0 FGADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H]1CC=CCC1 ZINC000735831000 599505383 /nfs/dbraw/zinc/50/53/83/599505383.db2.gz LCNSDDQTKFRUJN-QGZVFWFLSA-N -1 3 354.458 3.143 20 0 FGADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1CC=CCC1 ZINC000735831000 599505386 /nfs/dbraw/zinc/50/53/86/599505386.db2.gz LCNSDDQTKFRUJN-QGZVFWFLSA-N -1 3 354.458 3.143 20 0 FGADHM CCn1cc(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c2ccccc21 ZINC000821565058 599517404 /nfs/dbraw/zinc/51/74/04/599517404.db2.gz BMXRUZXSPQEKRX-ZDUSSCGKSA-N -1 3 360.421 3.332 20 0 FGADHM CCn1cc(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c2ccccc21 ZINC000821565058 599517407 /nfs/dbraw/zinc/51/74/07/599517407.db2.gz BMXRUZXSPQEKRX-ZDUSSCGKSA-N -1 3 360.421 3.332 20 0 FGADHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(N[C@@H](C)c3cccc(O)c3)c2c1 ZINC000822194999 599517415 /nfs/dbraw/zinc/51/74/15/599517415.db2.gz CQMRBUKXGBPHQD-ZDUSSCGKSA-N -1 3 360.421 3.332 20 0 FGADHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(N[C@@H](C)c3cccc(O)c3)c2c1 ZINC000822194999 599517417 /nfs/dbraw/zinc/51/74/17/599517417.db2.gz CQMRBUKXGBPHQD-ZDUSSCGKSA-N -1 3 360.421 3.332 20 0 FGADHM Fc1ccc(N2CCC[C@H]2c2cccc3c2OCCO3)c(-c2nnn[n-]2)c1 ZINC000822778214 599521384 /nfs/dbraw/zinc/52/13/84/599521384.db2.gz FUULDEXDECMRPI-HNNXBMFYSA-N -1 3 367.384 3.119 20 0 FGADHM Fc1ccc(N2CCC[C@H]2c2cccc3c2OCCO3)c(-c2nn[n-]n2)c1 ZINC000822778214 599521385 /nfs/dbraw/zinc/52/13/85/599521385.db2.gz FUULDEXDECMRPI-HNNXBMFYSA-N -1 3 367.384 3.119 20 0 FGADHM O[C@@H](CNc1ccc(-c2nn[n-]n2)cc1C(F)(F)F)c1cccc(F)c1 ZINC000738382588 599523160 /nfs/dbraw/zinc/52/31/60/599523160.db2.gz LUGXVLOEDADADY-AWEZNQCLSA-N -1 3 367.306 3.170 20 0 FGADHM CCCC(O)(CCC)CNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000736434789 599530177 /nfs/dbraw/zinc/53/01/77/599530177.db2.gz ILIIRPGFCIJXMF-UHFFFAOYSA-N -1 3 358.368 3.024 20 0 FGADHM CCCC(O)(CCC)CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000736434789 599530179 /nfs/dbraw/zinc/53/01/79/599530179.db2.gz ILIIRPGFCIJXMF-UHFFFAOYSA-N -1 3 358.368 3.024 20 0 FGADHM C[C@H](NC(=O)CCc1ccc([C@@H]2C[C@H]2C)o1)c1cccc(-c2nnn[n-]2)c1 ZINC000820327385 599533497 /nfs/dbraw/zinc/53/34/97/599533497.db2.gz GUMLHBDJAVMLTL-IIYDPXPESA-N -1 3 365.437 3.393 20 0 FGADHM C[C@H](NC(=O)CCc1ccc([C@@H]2C[C@H]2C)o1)c1cccc(-c2nn[n-]n2)c1 ZINC000820327385 599533498 /nfs/dbraw/zinc/53/34/98/599533498.db2.gz GUMLHBDJAVMLTL-IIYDPXPESA-N -1 3 365.437 3.393 20 0 FGADHM CC(C)c1cccc(OCC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000820197854 599535137 /nfs/dbraw/zinc/53/51/37/599535137.db2.gz OAICSTHUFQGPPZ-CQSZACIVSA-N -1 3 365.437 3.246 20 0 FGADHM CC(C)c1cccc(OCC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000820197854 599535138 /nfs/dbraw/zinc/53/51/38/599535138.db2.gz OAICSTHUFQGPPZ-CQSZACIVSA-N -1 3 365.437 3.246 20 0 FGADHM Cc1cccc2[nH]cc(CC(=O)N[C@H](C)c3cccc(-c4nnn[n-]4)c3)c21 ZINC000822332628 599535549 /nfs/dbraw/zinc/53/55/49/599535549.db2.gz QJFBPJNSOKQFGA-CYBMUJFWSA-N -1 3 360.421 3.076 20 0 FGADHM Cc1cccc2[nH]cc(CC(=O)N[C@H](C)c3cccc(-c4nn[n-]n4)c3)c21 ZINC000822332628 599535550 /nfs/dbraw/zinc/53/55/50/599535550.db2.gz QJFBPJNSOKQFGA-CYBMUJFWSA-N -1 3 360.421 3.076 20 0 FGADHM C[C@@H](NC(=O)C[C@@H]1CCc2ccccc2C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820321199 599538897 /nfs/dbraw/zinc/53/88/97/599538897.db2.gz COCBTTXXPZYOGT-HUUCEWRRSA-N -1 3 361.449 3.239 20 0 FGADHM C[C@@H](NC(=O)C[C@@H]1CCc2ccccc2C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820321199 599538898 /nfs/dbraw/zinc/53/88/98/599538898.db2.gz COCBTTXXPZYOGT-HUUCEWRRSA-N -1 3 361.449 3.239 20 0 FGADHM Cc1cnn([C@@H]2CCCN(c3c(-c4nnn[n-]4)cnc4c(C)cccc43)C2)c1 ZINC000822403729 599539890 /nfs/dbraw/zinc/53/98/90/599539890.db2.gz SNZARKWYSZSUFK-OAHLLOKOSA-N -1 3 374.452 3.070 20 0 FGADHM Cc1cnn([C@@H]2CCCN(c3c(-c4nn[n-]n4)cnc4c(C)cccc43)C2)c1 ZINC000822403729 599539893 /nfs/dbraw/zinc/53/98/93/599539893.db2.gz SNZARKWYSZSUFK-OAHLLOKOSA-N -1 3 374.452 3.070 20 0 FGADHM Cc1ccc(-c2ocnc2C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822224218 599542710 /nfs/dbraw/zinc/54/27/10/599542710.db2.gz ZZXVCUJIEHDAES-CYBMUJFWSA-N -1 3 374.404 3.321 20 0 FGADHM Cc1ccc(-c2ocnc2C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822224218 599542712 /nfs/dbraw/zinc/54/27/12/599542712.db2.gz ZZXVCUJIEHDAES-CYBMUJFWSA-N -1 3 374.404 3.321 20 0 FGADHM C[C@@H](C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)c1cccs1 ZINC000735550746 599542948 /nfs/dbraw/zinc/54/29/48/599542948.db2.gz KWZOBDMQFJIFAP-MRVPVSSYSA-N -1 3 365.365 3.272 20 0 FGADHM C[C@@H](C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)c1cccs1 ZINC000735550746 599542950 /nfs/dbraw/zinc/54/29/50/599542950.db2.gz KWZOBDMQFJIFAP-MRVPVSSYSA-N -1 3 365.365 3.272 20 0 FGADHM C[C@@H]1CC[C@H](C)N(C(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)C1 ZINC000820683812 599546964 /nfs/dbraw/zinc/54/69/64/599546964.db2.gz HNCSURKLBIRQEM-CABCVRRESA-N -1 3 357.458 3.063 20 0 FGADHM C[C@@H]1CC[C@H](C)N(C(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)C1 ZINC000820683812 599546965 /nfs/dbraw/zinc/54/69/65/599546965.db2.gz HNCSURKLBIRQEM-CABCVRRESA-N -1 3 357.458 3.063 20 0 FGADHM Cc1ncsc1CN(C)c1c(-c2nnn[n-]2)cnc2c(C)cc(C)cc21 ZINC000822195072 599547626 /nfs/dbraw/zinc/54/76/26/599547626.db2.gz GENOBBBFVVYZRZ-UHFFFAOYSA-N -1 3 365.466 3.433 20 0 FGADHM Cc1ncsc1CN(C)c1c(-c2nn[n-]n2)cnc2c(C)cc(C)cc21 ZINC000822195072 599547627 /nfs/dbraw/zinc/54/76/27/599547627.db2.gz GENOBBBFVVYZRZ-UHFFFAOYSA-N -1 3 365.466 3.433 20 0 FGADHM CC(C)Oc1cccc([C@H](O)CNc2c(Cl)cccc2-c2nnn[n-]2)c1 ZINC000820178209 599561410 /nfs/dbraw/zinc/56/14/10/599561410.db2.gz KYZSGQWWNRNRFH-MRXNPFEDSA-N -1 3 373.844 3.453 20 0 FGADHM CC(C)Oc1cccc([C@H](O)CNc2c(Cl)cccc2-c2nn[n-]n2)c1 ZINC000820178209 599561411 /nfs/dbraw/zinc/56/14/11/599561411.db2.gz KYZSGQWWNRNRFH-MRXNPFEDSA-N -1 3 373.844 3.453 20 0 FGADHM CCCN(CC)C(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736471392 599564692 /nfs/dbraw/zinc/56/46/92/599564692.db2.gz PYXRAOOAOUDONY-UHFFFAOYSA-N -1 3 350.426 3.482 20 0 FGADHM COc1ccc(C[C@H]2CCCN(c3cccc(F)c3-c3nnn[n-]3)C2)cc1 ZINC000821789995 599591453 /nfs/dbraw/zinc/59/14/53/599591453.db2.gz DGTZRDHPVCNDET-OAHLLOKOSA-N -1 3 367.428 3.474 20 0 FGADHM COc1ccc(C[C@H]2CCCN(c3cccc(F)c3-c3nn[n-]n3)C2)cc1 ZINC000821789995 599591456 /nfs/dbraw/zinc/59/14/56/599591456.db2.gz DGTZRDHPVCNDET-OAHLLOKOSA-N -1 3 367.428 3.474 20 0 FGADHM C[C@H]1CN(Cc2cn3ccccc3c2-c2nnn[n-]2)[C@H](c2ccccc2)CO1 ZINC000820758653 599594188 /nfs/dbraw/zinc/59/41/88/599594188.db2.gz AUIZJTXLXJHTIM-KXBFYZLASA-N -1 3 374.448 3.081 20 0 FGADHM C[C@H]1CN(Cc2cn3ccccc3c2-c2nn[n-]n2)[C@H](c2ccccc2)CO1 ZINC000820758653 599594189 /nfs/dbraw/zinc/59/41/89/599594189.db2.gz AUIZJTXLXJHTIM-KXBFYZLASA-N -1 3 374.448 3.081 20 0 FGADHM Cc1ccc(C[C@H](C)N(C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737334684 599599828 /nfs/dbraw/zinc/59/98/28/599599828.db2.gz LRUAGXWEFYJJOE-AWEZNQCLSA-N -1 3 350.426 3.270 20 0 FGADHM Cc1ccc(C[C@H](C)N(C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737334684 599599830 /nfs/dbraw/zinc/59/98/30/599599830.db2.gz LRUAGXWEFYJJOE-AWEZNQCLSA-N -1 3 350.426 3.270 20 0 FGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1)[C@@H]1CCSc2ccccc21 ZINC000823431555 599624388 /nfs/dbraw/zinc/62/43/88/599624388.db2.gz RKXKFMTVMAAYCJ-OAHLLOKOSA-N -1 3 352.419 3.190 20 0 FGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1)[C@@H]1CCSc2ccccc21 ZINC000823431555 599624389 /nfs/dbraw/zinc/62/43/89/599624389.db2.gz RKXKFMTVMAAYCJ-OAHLLOKOSA-N -1 3 352.419 3.190 20 0 FGADHM CC[C@H](Cc1ccc(C)cc1)OC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000820914547 599625965 /nfs/dbraw/zinc/62/59/65/599625965.db2.gz OVJZIHZXODEEPR-QGZVFWFLSA-N -1 3 366.421 3.118 20 0 FGADHM Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822233198 599628163 /nfs/dbraw/zinc/62/81/63/599628163.db2.gz JZUKLFLMSPCHIP-ROUUACIJSA-N -1 3 364.405 3.248 20 0 FGADHM Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822233198 599628164 /nfs/dbraw/zinc/62/81/64/599628164.db2.gz JZUKLFLMSPCHIP-ROUUACIJSA-N -1 3 364.405 3.248 20 0 FGADHM CCOc1c(F)cccc1C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000821389171 599630667 /nfs/dbraw/zinc/63/06/67/599630667.db2.gz HVCSVBMFWWLRDF-UHFFFAOYSA-N -1 3 372.404 3.213 20 0 FGADHM CCOc1c(F)cccc1C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000821389171 599630668 /nfs/dbraw/zinc/63/06/68/599630668.db2.gz HVCSVBMFWWLRDF-UHFFFAOYSA-N -1 3 372.404 3.213 20 0 FGADHM COCCN(C(=O)CCCC1CCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000821688260 599632020 /nfs/dbraw/zinc/63/20/20/599632020.db2.gz DUDIBYAHBRZWKY-UHFFFAOYSA-N -1 3 357.458 3.207 20 0 FGADHM COCCN(C(=O)CCCC1CCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000821688260 599632021 /nfs/dbraw/zinc/63/20/21/599632021.db2.gz DUDIBYAHBRZWKY-UHFFFAOYSA-N -1 3 357.458 3.207 20 0 FGADHM C[C@H]1CN(Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)Cc2ccccc21 ZINC000820759780 599635372 /nfs/dbraw/zinc/63/53/72/599635372.db2.gz NQOBSAFOCRXIME-ZDUSSCGKSA-N -1 3 373.420 3.036 20 0 FGADHM C[C@H]1CN(Cc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)Cc2ccccc21 ZINC000820759780 599635373 /nfs/dbraw/zinc/63/53/73/599635373.db2.gz NQOBSAFOCRXIME-ZDUSSCGKSA-N -1 3 373.420 3.036 20 0 FGADHM Cc1cc(F)ccc1N(Cc1ccc(-c2nnn[n-]2)cc1)CC1(C)COC1 ZINC000822205955 599638982 /nfs/dbraw/zinc/63/89/82/599638982.db2.gz OPRKTKCMTMESKP-UHFFFAOYSA-N -1 3 367.428 3.357 20 0 FGADHM Cc1cc(F)ccc1N(Cc1ccc(-c2nn[n-]n2)cc1)CC1(C)COC1 ZINC000822205955 599638983 /nfs/dbraw/zinc/63/89/83/599638983.db2.gz OPRKTKCMTMESKP-UHFFFAOYSA-N -1 3 367.428 3.357 20 0 FGADHM C[C@@H](C(=O)OCCCOc1ccc(-c2nn[n-]n2)cc1)c1cccc(F)c1 ZINC000819883671 599666488 /nfs/dbraw/zinc/66/64/88/599666488.db2.gz KLPNNDNMEQGKJS-CYBMUJFWSA-N -1 3 370.384 3.122 20 0 FGADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000823235171 599667649 /nfs/dbraw/zinc/66/76/49/599667649.db2.gz SEVFZYSXIMTKGR-HEHGZKQESA-N -1 3 372.448 3.164 20 0 FGADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000823235171 599667650 /nfs/dbraw/zinc/66/76/50/599667650.db2.gz SEVFZYSXIMTKGR-HEHGZKQESA-N -1 3 372.448 3.164 20 0 FGADHM C[C@H](OC(=O)CCCC1CCCC1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000820494609 599670402 /nfs/dbraw/zinc/67/04/02/599670402.db2.gz BMZDSGPOIRFVIA-ZDUSSCGKSA-N -1 3 371.441 3.097 20 0 FGADHM C[C@H](OC(=O)CCCC1CCCC1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000820494609 599670403 /nfs/dbraw/zinc/67/04/03/599670403.db2.gz BMZDSGPOIRFVIA-ZDUSSCGKSA-N -1 3 371.441 3.097 20 0 FGADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)N(CC1CCCCC1)C1CC1 ZINC000823233232 599679108 /nfs/dbraw/zinc/67/91/08/599679108.db2.gz DPJIVZYUEMZGIZ-UHFFFAOYSA-N -1 3 372.448 3.260 20 0 FGADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)N(CC1CCCCC1)C1CC1 ZINC000823233232 599679109 /nfs/dbraw/zinc/67/91/09/599679109.db2.gz DPJIVZYUEMZGIZ-UHFFFAOYSA-N -1 3 372.448 3.260 20 0 FGADHM CCSCC[C@H](C)N(C)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821454092 599681792 /nfs/dbraw/zinc/68/17/92/599681792.db2.gz CZWQJGAKKROVNS-STQMWFEESA-N -1 3 362.503 3.101 20 0 FGADHM CCSCC[C@H](C)N(C)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821454092 599681793 /nfs/dbraw/zinc/68/17/93/599681793.db2.gz CZWQJGAKKROVNS-STQMWFEESA-N -1 3 362.503 3.101 20 0 FGADHM C[C@H](NC(=O)N1CC2(CC2)c2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820339835 599681871 /nfs/dbraw/zinc/68/18/71/599681871.db2.gz GWBDITFEDVGEAM-ZDUSSCGKSA-N -1 3 360.421 3.189 20 0 FGADHM C[C@H](NC(=O)N1CC2(CC2)c2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820339835 599681872 /nfs/dbraw/zinc/68/18/72/599681872.db2.gz GWBDITFEDVGEAM-ZDUSSCGKSA-N -1 3 360.421 3.189 20 0 FGADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)CC1(C)OCCO1 ZINC000820275806 599685395 /nfs/dbraw/zinc/68/53/95/599685395.db2.gz RZANDQAOSZPECI-SNVBAGLBSA-N -1 3 371.363 3.087 20 0 FGADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)CC1(C)OCCO1 ZINC000820275806 599685396 /nfs/dbraw/zinc/68/53/96/599685396.db2.gz RZANDQAOSZPECI-SNVBAGLBSA-N -1 3 371.363 3.087 20 0 FGADHM CO[C@@]1(C)C[C@@H](Nc2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)C1(C)C ZINC000821678003 599688406 /nfs/dbraw/zinc/68/84/06/599688406.db2.gz IAFYHLWLBFSQQM-ACJLOTCBSA-N -1 3 374.395 3.309 20 0 FGADHM CO[C@@]1(C)C[C@@H](Nc2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)C1(C)C ZINC000821678003 599688407 /nfs/dbraw/zinc/68/84/07/599688407.db2.gz IAFYHLWLBFSQQM-ACJLOTCBSA-N -1 3 374.395 3.309 20 0 FGADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)c1cccc2cnccc21 ZINC000823331625 599689976 /nfs/dbraw/zinc/68/99/76/599689976.db2.gz GCYWQUSPXIGIIA-UHFFFAOYSA-N -1 3 350.769 3.321 20 0 FGADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)c1cccc2cnccc21 ZINC000823331625 599689977 /nfs/dbraw/zinc/68/99/77/599689977.db2.gz GCYWQUSPXIGIIA-UHFFFAOYSA-N -1 3 350.769 3.321 20 0 FGADHM Cc1sc(NC(=O)c2cccc3cnccc32)c(-c2nnn[n-]2)c1C ZINC000822564134 599690115 /nfs/dbraw/zinc/69/01/15/599690115.db2.gz VFDZBAZUAKRWLV-UHFFFAOYSA-N -1 3 350.407 3.346 20 0 FGADHM Cc1sc(NC(=O)c2cccc3cnccc32)c(-c2nn[n-]n2)c1C ZINC000822564134 599690116 /nfs/dbraw/zinc/69/01/16/599690116.db2.gz VFDZBAZUAKRWLV-UHFFFAOYSA-N -1 3 350.407 3.346 20 0 FGADHM CC[C@H]1C[C@H](C)CN1C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000820967200 599692366 /nfs/dbraw/zinc/69/23/66/599692366.db2.gz LMGHSEJSKOGQMP-ONGXEEELSA-N -1 3 366.372 3.120 20 0 FGADHM CC[C@H]1C[C@H](C)CN1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000820967200 599692367 /nfs/dbraw/zinc/69/23/67/599692367.db2.gz LMGHSEJSKOGQMP-ONGXEEELSA-N -1 3 366.372 3.120 20 0 FGADHM CN(C)[C@@H](CNC(=O)Nc1ccc(F)c(NC(=O)[O-])c1)Cc1ccccc1 ZINC000737359080 599716920 /nfs/dbraw/zinc/71/69/20/599716920.db2.gz RYMFIZPIXVPZKY-OAHLLOKOSA-N -1 3 374.416 3.210 20 0 FGADHM O=C(Nc1ccc(F)c(F)c1F)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826454438 607391891 /nfs/dbraw/zinc/39/18/91/607391891.db2.gz WRLJGRUQSZWAID-UHFFFAOYSA-N -1 3 374.326 3.095 20 0 FGADHM O=C(Nc1ccc(F)c(F)c1F)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826454438 607391892 /nfs/dbraw/zinc/39/18/92/607391892.db2.gz WRLJGRUQSZWAID-UHFFFAOYSA-N -1 3 374.326 3.095 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)c1ccc(C(C)C)nc1 ZINC000821389199 607391973 /nfs/dbraw/zinc/39/19/73/607391973.db2.gz ILZLRGDUAHXKNE-UHFFFAOYSA-N -1 3 353.382 3.003 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)c1ccc(C(C)C)nc1 ZINC000821389199 607391975 /nfs/dbraw/zinc/39/19/75/607391975.db2.gz ILZLRGDUAHXKNE-UHFFFAOYSA-N -1 3 353.382 3.003 20 0 FGADHM O=C(Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1)[C@@H]1CCCCO1 ZINC000823356032 607394454 /nfs/dbraw/zinc/39/44/54/607394454.db2.gz IQRTZCDEUALNSA-KRWDZBQOSA-N -1 3 365.393 3.167 20 0 FGADHM O=C(Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1)[C@@H]1CCCCO1 ZINC000823356032 607394456 /nfs/dbraw/zinc/39/44/56/607394456.db2.gz IQRTZCDEUALNSA-KRWDZBQOSA-N -1 3 365.393 3.167 20 0 FGADHM CCc1ccc2c(CN[C@H](C(=O)[O-])c3ccc(OC)cc3)cc(=O)oc2c1 ZINC000737268345 599862206 /nfs/dbraw/zinc/86/22/06/599862206.db2.gz XXUYFIJYGHUUMD-FQEVSTJZSA-N -1 3 367.401 3.280 20 0 FGADHM CCc1oc(C(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)cc1C ZINC000821558679 607402941 /nfs/dbraw/zinc/40/29/41/607402941.db2.gz DJYACALUXBAJTD-UHFFFAOYSA-N -1 3 355.398 3.370 20 0 FGADHM CCc1oc(C(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)cc1C ZINC000821558679 607402943 /nfs/dbraw/zinc/40/29/43/607402943.db2.gz DJYACALUXBAJTD-UHFFFAOYSA-N -1 3 355.398 3.370 20 0 FGADHM O=C([O-])c1oc2ccccc2c1Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000386044433 600025931 /nfs/dbraw/zinc/02/59/31/600025931.db2.gz YGPNOFYEKKYLTE-UHFFFAOYSA-N -1 3 366.127 3.047 20 0 FGADHM CC(C)Oc1ccc(C(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC000824324860 607420834 /nfs/dbraw/zinc/42/08/34/607420834.db2.gz WYDQHUUZTLDGPM-UHFFFAOYSA-N -1 3 363.421 3.073 20 0 FGADHM CC(C)Oc1ccc(C(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000824324860 607420836 /nfs/dbraw/zinc/42/08/36/607420836.db2.gz WYDQHUUZTLDGPM-UHFFFAOYSA-N -1 3 363.421 3.073 20 0 FGADHM Cc1oc(COC(=O)C2CCN(Cc3ccccc3)CC2)cc1C(=O)[O-] ZINC000738981529 600064038 /nfs/dbraw/zinc/06/40/38/600064038.db2.gz KGBGVAYZHHSZSO-UHFFFAOYSA-N -1 3 357.406 3.242 20 0 FGADHM Cc1cccc(CN(CCN(C)C)C(=O)CCc2ccc(C(=O)[O-])cc2)c1 ZINC000738708116 600069820 /nfs/dbraw/zinc/06/98/20/600069820.db2.gz HHWWFXSTDQFFDG-UHFFFAOYSA-N -1 3 368.477 3.216 20 0 FGADHM O=C(/C=C/Sc1ccccc1)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826400104 607419826 /nfs/dbraw/zinc/41/98/26/607419826.db2.gz PGYDLODIMMTWJT-FMIVXFBMSA-N -1 3 363.446 3.278 20 0 FGADHM O=C(/C=C/Sc1ccccc1)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826400104 607419827 /nfs/dbraw/zinc/41/98/27/607419827.db2.gz PGYDLODIMMTWJT-FMIVXFBMSA-N -1 3 363.446 3.278 20 0 FGADHM O=C(NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1ccc(-c2ccccc2)[nH]1 ZINC000826428176 607422892 /nfs/dbraw/zinc/42/28/92/607422892.db2.gz RFOBDQBZPOJTGG-UHFFFAOYSA-N -1 3 370.416 3.281 20 0 FGADHM O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1ccc(-c2ccccc2)[nH]1 ZINC000826428176 607422894 /nfs/dbraw/zinc/42/28/94/607422894.db2.gz RFOBDQBZPOJTGG-UHFFFAOYSA-N -1 3 370.416 3.281 20 0 FGADHM CCCc1nc(C)c(C(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)s1 ZINC000825351442 607425583 /nfs/dbraw/zinc/42/55/83/607425583.db2.gz DYNBMSKFPJSDRK-UHFFFAOYSA-N -1 3 368.466 3.003 20 0 FGADHM CCCc1nc(C)c(C(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)s1 ZINC000825351442 607425584 /nfs/dbraw/zinc/42/55/84/607425584.db2.gz DYNBMSKFPJSDRK-UHFFFAOYSA-N -1 3 368.466 3.003 20 0 FGADHM CC(C)Oc1ccc(NC(=O)N2C[C@@H](C)C[C@H](C)C2)cc1-c1nnn[n-]1 ZINC000820650447 607429795 /nfs/dbraw/zinc/42/97/95/607429795.db2.gz VGAZLVSCMMRHFO-STQMWFEESA-N -1 3 358.446 3.164 20 0 FGADHM CC(C)Oc1ccc(NC(=O)N2C[C@@H](C)C[C@H](C)C2)cc1-c1nn[n-]n1 ZINC000820650447 607429796 /nfs/dbraw/zinc/42/97/96/607429796.db2.gz VGAZLVSCMMRHFO-STQMWFEESA-N -1 3 358.446 3.164 20 0 FGADHM COc1cccc(C(=O)[O-])c1OC(=O)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000738086324 600250238 /nfs/dbraw/zinc/25/02/38/600250238.db2.gz VSPXYSSCGDETPF-INIZCTEOSA-N -1 3 369.417 3.211 20 0 FGADHM CCCc1c(C(=O)NC[C@H](C)N(C)Cc2ccccc2)[nH]c(C)c1C(=O)[O-] ZINC000737039418 600270902 /nfs/dbraw/zinc/27/09/02/600270902.db2.gz CFMYNZMNHXQHDU-AWEZNQCLSA-N -1 3 371.481 3.224 20 0 FGADHM Cc1cc(Br)ccc1C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826256613 607434438 /nfs/dbraw/zinc/43/44/38/607434438.db2.gz RRLHDKXBTLFTET-UHFFFAOYSA-N -1 3 372.226 3.214 20 0 FGADHM Cc1cc(Br)ccc1C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826256613 607434440 /nfs/dbraw/zinc/43/44/40/607434440.db2.gz RRLHDKXBTLFTET-UHFFFAOYSA-N -1 3 372.226 3.214 20 0 FGADHM C[C@H](CN(C)[C@@H](C)C(=O)Nc1ccccc1Cc1ccccc1)C(=O)[O-] ZINC000736571581 600365655 /nfs/dbraw/zinc/36/56/55/600365655.db2.gz KSEQYKFZZRZVGY-CVEARBPZSA-N -1 3 354.450 3.257 20 0 FGADHM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)[C@@H](C)N2CCCCCC2)cc1 ZINC000738198452 600408857 /nfs/dbraw/zinc/40/88/57/600408857.db2.gz DWPOGWJCKYHSKN-RHSMWYFYSA-N -1 3 364.511 3.305 20 0 FGADHM O=C([O-])c1ccc(NC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)cc1Cl ZINC000740146669 600486275 /nfs/dbraw/zinc/48/62/75/600486275.db2.gz YBXLSSJBUBRCIZ-CQSZACIVSA-N -1 3 373.840 3.284 20 0 FGADHM CCN1CCCC[C@H]1C(=O)NC[C@@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000737117134 600606228 /nfs/dbraw/zinc/60/62/28/600606228.db2.gz WZZCUVIOWPILBP-UXHICEINSA-N -1 3 368.477 3.074 20 0 FGADHM O=C(N[C@@H]1CC[C@@H]2CCC[C@H]2C1)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826429393 607460046 /nfs/dbraw/zinc/46/00/46/607460046.db2.gz BHBVWVJOZYIBQS-GRDNDAEWSA-N -1 3 366.469 3.124 20 0 FGADHM O=C(N[C@@H]1CC[C@@H]2CCC[C@H]2C1)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826429393 607460048 /nfs/dbraw/zinc/46/00/48/607460048.db2.gz BHBVWVJOZYIBQS-GRDNDAEWSA-N -1 3 366.469 3.124 20 0 FGADHM C[C@@H](C(=O)NCc1c2ccccc2sc1C(=O)[O-])N1CCCCCC1 ZINC000826004973 600705778 /nfs/dbraw/zinc/70/57/78/600705778.db2.gz PBZGYFODKPREPT-ZDUSSCGKSA-N -1 3 360.479 3.480 20 0 FGADHM CCCN(CC(=O)Nc1cc(C(=O)[O-])ccc1C)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000737007350 600716351 /nfs/dbraw/zinc/71/63/51/600716351.db2.gz FAJNNAHLHIBECL-IPELMVKDSA-N -1 3 374.481 3.157 20 0 FGADHM O=C([O-])[C@@H](NCCOc1cccc(Br)c1)c1ccccc1F ZINC000833166250 600742510 /nfs/dbraw/zinc/74/25/10/600742510.db2.gz ODQJCIDTZDEMON-HNNXBMFYSA-N -1 3 368.202 3.383 20 0 FGADHM O=C([O-])[C@@H](N[C@@H]1CCN(CC(F)(F)F)C1)c1ccc(Cl)cc1Cl ZINC000833167240 600746019 /nfs/dbraw/zinc/74/60/19/600746019.db2.gz LCJYCCJJKSEQJU-SKDRFNHKSA-N -1 3 371.186 3.345 20 0 FGADHM CCC[C@H](C(=O)Nc1ncc2cc(-c3nnn[n-]3)ccc2n1)c1ccccc1 ZINC000825225436 607465866 /nfs/dbraw/zinc/46/58/66/607465866.db2.gz SPPXCLNWONCFQY-INIZCTEOSA-N -1 3 373.420 3.332 20 0 FGADHM CCC[C@H](C(=O)Nc1ncc2cc(-c3nn[n-]n3)ccc2n1)c1ccccc1 ZINC000825225436 607465867 /nfs/dbraw/zinc/46/58/67/607465867.db2.gz SPPXCLNWONCFQY-INIZCTEOSA-N -1 3 373.420 3.332 20 0 FGADHM C[C@@H](C(=O)N[C@H](CC(=O)[O-])c1cccc(Cl)c1)N1CCCCCC1 ZINC000825995162 600813174 /nfs/dbraw/zinc/81/31/74/600813174.db2.gz NSYSUFRSQVGFGO-XJKSGUPXSA-N -1 3 352.862 3.237 20 0 FGADHM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)c1cccc(CN(C)C)c1 ZINC000827048586 600914898 /nfs/dbraw/zinc/91/48/98/600914898.db2.gz REHLUFYFURJRJX-UHFFFAOYSA-N -1 3 356.422 3.486 20 0 FGADHM COC(=O)c1cc2cc(CN3Cc4ccccc4C[C@@H]3C(=O)[O-])ccc2o1 ZINC000737677814 600948193 /nfs/dbraw/zinc/94/81/93/600948193.db2.gz MGYHYJOZWNJDBP-QGZVFWFLSA-N -1 3 365.385 3.231 20 0 FGADHM C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000382596906 600966704 /nfs/dbraw/zinc/96/67/04/600966704.db2.gz NHXOKJVJFDDLOL-BHIYHBOVSA-N -1 3 358.482 3.000 20 0 FGADHM COc1cccc(-c2nc(CN[C@@](C)(C(=O)[O-])C3CC3)cs2)c1OC ZINC000832514433 601174141 /nfs/dbraw/zinc/17/41/41/601174141.db2.gz DQWCIRQJAPYVOX-GOSISDBHSA-N -1 3 362.451 3.170 20 0 FGADHM COc1ccc(-c2nc(CN[C@@](C)(C(=O)[O-])C3CC3)cs2)cc1OC ZINC000832129631 601174901 /nfs/dbraw/zinc/17/49/01/601174901.db2.gz HBWJIOBBJWKUMV-GOSISDBHSA-N -1 3 362.451 3.170 20 0 FGADHM C[C@H](C(=O)[O-])[C@H](NCC(=O)N[C@H](c1ccccc1)C1CC1)c1ccccc1 ZINC000826044634 601206080 /nfs/dbraw/zinc/20/60/80/601206080.db2.gz JQJFJIBVVOIKRT-ONGXBYRLSA-N -1 3 366.461 3.306 20 0 FGADHM COc1cccc(NC(=O)[C@H](c2ccccc2)N2C[C@H](C)[C@H](C(=O)[O-])C2)c1 ZINC000832561933 601538633 /nfs/dbraw/zinc/53/86/33/601538633.db2.gz GMOROEYTYIARAE-KYNGSXCRSA-N -1 3 368.433 3.028 20 0 FGADHM CSc1ccc(NC(=O)CN[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])cc1 ZINC000832780972 601654993 /nfs/dbraw/zinc/65/49/93/601654993.db2.gz NHGYMSRQQVSILB-ACJLOTCBSA-N -1 3 358.463 3.399 20 0 FGADHM CN(C)Cc1cccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)c1 ZINC000830620051 601733258 /nfs/dbraw/zinc/73/32/58/601733258.db2.gz PMAJOWQNDGYYFF-KRWDZBQOSA-N -1 3 360.841 3.347 20 0 FGADHM CN(C)CCN(Cc1ccco1)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000830608938 601794960 /nfs/dbraw/zinc/79/49/60/601794960.db2.gz MBPILBRBWIAKJL-UHFFFAOYSA-N -1 3 365.817 3.227 20 0 FGADHM COC(=O)c1ccc(OCCN2CCC(CCC(=O)[O-])CC2)c(Cl)c1 ZINC000831440006 601842432 /nfs/dbraw/zinc/84/24/32/601842432.db2.gz JIMGTUFSWBSPGS-UHFFFAOYSA-N -1 3 369.845 3.082 20 0 FGADHM C[C@H](CNC(=O)OC(C)(C)C)CNc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000824420336 607542019 /nfs/dbraw/zinc/54/20/19/607542019.db2.gz IDSHLPDVRQAXRR-JTQLQIEISA-N -1 3 366.853 3.093 20 0 FGADHM C[C@H](CNC(=O)OC(C)(C)C)CNc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000824420336 607542020 /nfs/dbraw/zinc/54/20/20/607542020.db2.gz IDSHLPDVRQAXRR-JTQLQIEISA-N -1 3 366.853 3.093 20 0 FGADHM COc1ccc(Cn2c3ccccc3nc2C(F)(F)F)cc1-c1nnn[n-]1 ZINC000826208244 607543952 /nfs/dbraw/zinc/54/39/52/607543952.db2.gz AVAUPKWGJUJKSJ-UHFFFAOYSA-N -1 3 374.326 3.292 20 0 FGADHM COc1ccc(Cn2c3ccccc3nc2C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826208244 607543953 /nfs/dbraw/zinc/54/39/53/607543953.db2.gz AVAUPKWGJUJKSJ-UHFFFAOYSA-N -1 3 374.326 3.292 20 0 FGADHM c1csc(CNc2ccccc2Oc2ncccc2-c2nnn[n-]2)n1 ZINC000826522693 607550289 /nfs/dbraw/zinc/55/02/89/607550289.db2.gz KTJYFGUXZFGFDA-UHFFFAOYSA-N -1 3 351.395 3.123 20 0 FGADHM O=C([O-])[C@@H](NCCOc1ccc(C(F)(F)F)cn1)c1ccccc1F ZINC000833165124 602131973 /nfs/dbraw/zinc/13/19/73/602131973.db2.gz FXDUVTXFIHPSKC-AWEZNQCLSA-N -1 3 358.291 3.034 20 0 FGADHM Cc1cc(CN2CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)oc1C(=O)[O-] ZINC000832883515 602246931 /nfs/dbraw/zinc/24/69/31/602246931.db2.gz UKMJDGHZGIHLSQ-KGLIPLIRSA-N -1 3 366.458 3.411 20 0 FGADHM CN(C(=O)Nc1ccc(C(=O)[O-])c(F)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000383245803 602381126 /nfs/dbraw/zinc/38/11/26/602381126.db2.gz CSHFTGMQVWPKEL-INIZCTEOSA-N -1 3 371.412 3.262 20 0 FGADHM CN(C(=O)Nc1ccc(C(=O)[O-])c(F)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000383245813 602381412 /nfs/dbraw/zinc/38/14/12/602381412.db2.gz CSHFTGMQVWPKEL-MRXNPFEDSA-N -1 3 371.412 3.262 20 0 FGADHM COc1cc(CN2CCC(CN(C)C(=O)[O-])CC2)ccc1OC(F)F ZINC000739856508 602407840 /nfs/dbraw/zinc/40/78/40/602407840.db2.gz CBDFCVMCLHAPDE-UHFFFAOYSA-N -1 3 358.385 3.118 20 0 FGADHM CCCN(Cc1cccc(C(=O)N2CCCCC2)c1)[C@H]1CCN(C(=O)[O-])C1 ZINC000739359668 602547990 /nfs/dbraw/zinc/54/79/90/602547990.db2.gz ONYHMGGKADWTCP-IBGZPJMESA-N -1 3 373.497 3.277 20 0 FGADHM Cc1nn(Cc2ccc(F)cc2)c(Cl)c1CNCC[C@@H](C)NC(=O)[O-] ZINC000740254509 602650630 /nfs/dbraw/zinc/65/06/30/602650630.db2.gz XNDHWDQIOJKRNF-LLVKDONJSA-N -1 3 368.840 3.168 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1cc(F)c(F)cc1F ZINC000826453168 607595088 /nfs/dbraw/zinc/59/50/88/607595088.db2.gz ZGOUCIAYZAEIDL-UHFFFAOYSA-N -1 3 353.691 3.190 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1cc(F)c(F)cc1F ZINC000826453168 607595089 /nfs/dbraw/zinc/59/50/89/607595089.db2.gz ZGOUCIAYZAEIDL-UHFFFAOYSA-N -1 3 353.691 3.190 20 0 FGADHM COc1ccc(COC(=O)c2ccc(Cl)cc2F)cc1-c1nnn[n-]1 ZINC000826206284 607598022 /nfs/dbraw/zinc/59/80/22/607598022.db2.gz LOJOWPBYWPRAOR-UHFFFAOYSA-N -1 3 362.748 3.025 20 0 FGADHM COc1ccc(COC(=O)c2ccc(Cl)cc2F)cc1-c1nn[n-]n1 ZINC000826206284 607598024 /nfs/dbraw/zinc/59/80/24/607598024.db2.gz LOJOWPBYWPRAOR-UHFFFAOYSA-N -1 3 362.748 3.025 20 0 FGADHM Cc1cc(C)c(NC(=O)CN[C@@](C)(CNC(=O)[O-])C(C)C)c(Cl)c1 ZINC000740065758 603078893 /nfs/dbraw/zinc/07/88/93/603078893.db2.gz NGPFLDPUFMIDKX-KRWDZBQOSA-N -1 3 355.866 3.167 20 0 FGADHM CN(C)Cc1c2ccccc2oc1C(=O)Nc1ccc(NC(=O)[O-])nc1 ZINC000739610595 603098105 /nfs/dbraw/zinc/09/81/05/603098105.db2.gz WPPCQYIRJRXZMI-UHFFFAOYSA-N -1 3 354.366 3.232 20 0 FGADHM Cc1ccc(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1NC(=O)[O-] ZINC000830211366 603256127 /nfs/dbraw/zinc/25/61/27/603256127.db2.gz ONNLBAXULDEVRC-KRWDZBQOSA-N -1 3 353.422 3.089 20 0 FGADHM C[C@H]1CN(Cc2ccc(OCc3ccncc3)cc2)CC[C@@H]1NC(=O)[O-] ZINC000739195994 603412972 /nfs/dbraw/zinc/41/29/72/603412972.db2.gz ZYLWUMZGJTWXAF-KXBFYZLASA-N -1 3 355.438 3.139 20 0 FGADHM O=C([O-])Nc1ccc(CNC[C@@H](O)c2ccccc2C(F)(F)F)cn1 ZINC000832842108 603545772 /nfs/dbraw/zinc/54/57/72/603545772.db2.gz NORBPLQUUJTRTA-CYBMUJFWSA-N -1 3 355.316 3.014 20 0 FGADHM O=C([O-])Nc1ccc(CNC[C@@H](O)c2c(Cl)cccc2Cl)cn1 ZINC000832842155 603558873 /nfs/dbraw/zinc/55/88/73/603558873.db2.gz OWXFMOCCYJOCMI-GFCCVEGCSA-N -1 3 356.209 3.302 20 0 FGADHM C[C@@H](NCc1ccc(NC(=O)[O-])nc1)[C@@H](O)c1c(F)cccc1Cl ZINC000825501092 603559168 /nfs/dbraw/zinc/55/91/68/603559168.db2.gz BPDVFJJMVHKEGY-RFAUZJTJSA-N -1 3 353.781 3.176 20 0 FGADHM CC(C)[C@@H](CCN(C)C(=O)c1cccc(CN2CCCC2)c1)NC(=O)[O-] ZINC000824091559 603560006 /nfs/dbraw/zinc/56/00/06/603560006.db2.gz HBVZSSSDHQWWAC-GOSISDBHSA-N -1 3 361.486 3.037 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1CN(Cc1ccccc1)CC(F)F ZINC000826182648 607637653 /nfs/dbraw/zinc/63/76/53/607637653.db2.gz PSYDOYSCMLNVBM-UHFFFAOYSA-N -1 3 359.380 3.143 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1CN(Cc1ccccc1)CC(F)F ZINC000826182648 607637654 /nfs/dbraw/zinc/63/76/54/607637654.db2.gz PSYDOYSCMLNVBM-UHFFFAOYSA-N -1 3 359.380 3.143 20 0 FGADHM C[C@H](N[C@H]1CCN(C(=O)[O-])C1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000825480310 603643325 /nfs/dbraw/zinc/64/33/25/603643325.db2.gz VWKTUCOFARYJQG-KSSFIOAISA-N -1 3 353.422 3.342 20 0 FGADHM Cc1ccc(C)c(NC(=S)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)c1 ZINC000826284665 607648103 /nfs/dbraw/zinc/64/81/03/607648103.db2.gz AOGUBOOIDPFQGO-UHFFFAOYSA-N -1 3 364.478 3.459 20 0 FGADHM Cc1ccc(C)c(NC(=S)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)c1 ZINC000826284665 607648106 /nfs/dbraw/zinc/64/81/06/607648106.db2.gz AOGUBOOIDPFQGO-UHFFFAOYSA-N -1 3 364.478 3.459 20 0 FGADHM C[C@H](NC(=O)[O-])[C@H]1CCCCN1Cc1ccc(SC(=O)N(C)C)cc1 ZINC000825192145 603733707 /nfs/dbraw/zinc/73/37/07/603733707.db2.gz CCZGEVPSNCPANE-XJKSGUPXSA-N -1 3 365.499 3.471 20 0 FGADHM Cc1nc2ccc(NC(=O)c3ccc(-c4nnn[n-]4)cc3C)cc2s1 ZINC000826329159 607648615 /nfs/dbraw/zinc/64/86/15/607648615.db2.gz RZVQBDISCXIWPB-UHFFFAOYSA-N -1 3 350.407 3.346 20 0 FGADHM Cc1nc2ccc(NC(=O)c3ccc(-c4nn[n-]n4)cc3C)cc2s1 ZINC000826329159 607648616 /nfs/dbraw/zinc/64/86/16/607648616.db2.gz RZVQBDISCXIWPB-UHFFFAOYSA-N -1 3 350.407 3.346 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(C)[C@H](C)c1ccc(F)c(F)c1 ZINC000826243240 607653101 /nfs/dbraw/zinc/65/31/01/607653101.db2.gz AFDZXBWSAPEPFT-LLVKDONJSA-N -1 3 357.364 3.287 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(C)[C@H](C)c1ccc(F)c(F)c1 ZINC000826243240 607653103 /nfs/dbraw/zinc/65/31/03/607653103.db2.gz AFDZXBWSAPEPFT-LLVKDONJSA-N -1 3 357.364 3.287 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(Cc1cccc(F)c1)C1CC1 ZINC000826243975 607659956 /nfs/dbraw/zinc/65/99/56/607659956.db2.gz CECOTAAVSIWYGU-UHFFFAOYSA-N -1 3 351.385 3.119 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(Cc1cccc(F)c1)C1CC1 ZINC000826243975 607659958 /nfs/dbraw/zinc/65/99/58/607659958.db2.gz CECOTAAVSIWYGU-UHFFFAOYSA-N -1 3 351.385 3.119 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NCc1cccc(Cl)c1Cl ZINC000826249309 607660539 /nfs/dbraw/zinc/66/05/39/607660539.db2.gz VTNQORMBOXNVBT-UHFFFAOYSA-N -1 3 362.220 3.412 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NCc1cccc(Cl)c1Cl ZINC000826249309 607660540 /nfs/dbraw/zinc/66/05/40/607660540.db2.gz VTNQORMBOXNVBT-UHFFFAOYSA-N -1 3 362.220 3.412 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1cccc(NC(=O)C(C)C)c1 ZINC000826250800 607662426 /nfs/dbraw/zinc/66/24/26/607662426.db2.gz STMHZHFZILCLTD-UHFFFAOYSA-N -1 3 364.409 3.022 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1cccc(NC(=O)C(C)C)c1 ZINC000826250800 607662427 /nfs/dbraw/zinc/66/24/27/607662427.db2.gz STMHZHFZILCLTD-UHFFFAOYSA-N -1 3 364.409 3.022 20 0 FGADHM CC(=O)Nc1c(C)ccc(NC(=O)c2ccc(-c3nnn[n-]3)cc2C)c1C ZINC000823995037 607666399 /nfs/dbraw/zinc/66/63/99/607666399.db2.gz XVEJOQCEIWHBMX-UHFFFAOYSA-N -1 3 364.409 3.003 20 0 FGADHM CC(=O)Nc1c(C)ccc(NC(=O)c2ccc(-c3nn[n-]n3)cc2C)c1C ZINC000823995037 607666401 /nfs/dbraw/zinc/66/64/01/607666401.db2.gz XVEJOQCEIWHBMX-UHFFFAOYSA-N -1 3 364.409 3.003 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCC[C@H]1Cc1ccc(F)cc1 ZINC000826245110 607667990 /nfs/dbraw/zinc/66/79/90/607667990.db2.gz OCRSBTXTRLDTSK-KRWDZBQOSA-N -1 3 365.412 3.162 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCC[C@H]1Cc1ccc(F)cc1 ZINC000826245110 607667991 /nfs/dbraw/zinc/66/79/91/607667991.db2.gz OCRSBTXTRLDTSK-KRWDZBQOSA-N -1 3 365.412 3.162 20 0 FGADHM Cc1ccc(CN(C)C)cc1NC(=O)[C@H]1Cc2ccccc2CN1C(=O)[O-] ZINC000830309173 604084894 /nfs/dbraw/zinc/08/48/94/604084894.db2.gz YNQYLTSMXAYDQE-LJQANCHMSA-N -1 3 367.449 3.100 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NCCCc1ccc(Cl)cc1 ZINC000826248588 607678492 /nfs/dbraw/zinc/67/84/92/607678492.db2.gz OMQGOYCCFBUWEH-UHFFFAOYSA-N -1 3 355.829 3.191 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NCCCc1ccc(Cl)cc1 ZINC000826248588 607678493 /nfs/dbraw/zinc/67/84/93/607678493.db2.gz OMQGOYCCFBUWEH-UHFFFAOYSA-N -1 3 355.829 3.191 20 0 FGADHM CCN(Cc1c(F)cccc1F)C(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000825428270 607679830 /nfs/dbraw/zinc/67/98/30/607679830.db2.gz HPTPZZFQHZKPRH-UHFFFAOYSA-N -1 3 357.364 3.116 20 0 FGADHM CCN(Cc1c(F)cccc1F)C(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000825428270 607679831 /nfs/dbraw/zinc/67/98/31/607679831.db2.gz HPTPZZFQHZKPRH-UHFFFAOYSA-N -1 3 357.364 3.116 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCCc2c(F)cc(F)cc21 ZINC000826244726 607680257 /nfs/dbraw/zinc/68/02/57/607680257.db2.gz BQLYZLYYSAVCDX-UHFFFAOYSA-N -1 3 355.348 3.046 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCCc2c(F)cc(F)cc21 ZINC000826244726 607680259 /nfs/dbraw/zinc/68/02/59/607680259.db2.gz BQLYZLYYSAVCDX-UHFFFAOYSA-N -1 3 355.348 3.046 20 0 FGADHM Cc1ccc(CN(C)C)cc1NC(=O)C[C@H](C)C1CCN(C(=O)[O-])CC1 ZINC000830308672 604274237 /nfs/dbraw/zinc/27/42/37/604274237.db2.gz KTWILMXVIRVVBA-HNNXBMFYSA-N -1 3 361.486 3.411 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NCC(C)(C)c1ccccc1F ZINC000826247685 607678338 /nfs/dbraw/zinc/67/83/38/607678338.db2.gz LDPHKMFQXPVYFT-UHFFFAOYSA-N -1 3 353.401 3.022 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NCC(C)(C)c1ccccc1F ZINC000826247685 607678340 /nfs/dbraw/zinc/67/83/40/607678340.db2.gz LDPHKMFQXPVYFT-UHFFFAOYSA-N -1 3 353.401 3.022 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NCC(C)(C)c1ccc(F)cc1 ZINC000826247597 607683856 /nfs/dbraw/zinc/68/38/56/607683856.db2.gz IILDTIFDMBCFQB-UHFFFAOYSA-N -1 3 353.401 3.022 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NCC(C)(C)c1ccc(F)cc1 ZINC000826247597 607683858 /nfs/dbraw/zinc/68/38/58/607683858.db2.gz IILDTIFDMBCFQB-UHFFFAOYSA-N -1 3 353.401 3.022 20 0 FGADHM C/C=C(/C=C\C(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1)CC ZINC000828543480 604308947 /nfs/dbraw/zinc/30/89/47/604308947.db2.gz UYGCNZDWXLTRQC-SOYMVAPZSA-N -1 3 356.466 3.135 20 0 FGADHM Cc1c([C@H](C)NC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])nnn1-c1ccc(F)cc1 ZINC000829858655 604377250 /nfs/dbraw/zinc/37/72/50/604377250.db2.gz CJWUBWJDESOGLM-HVYHFCKSSA-N -1 3 373.432 3.039 20 0 FGADHM CCCN(C(=O)c1cccs1)C1CCN(C/C=C(/C)C(=O)[O-])CC1 ZINC000829452451 604423705 /nfs/dbraw/zinc/42/37/05/604423705.db2.gz AXNDIHNSRPCRDF-NSIKDUERSA-N -1 3 350.484 3.096 20 0 FGADHM C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000824772168 607693238 /nfs/dbraw/zinc/69/32/38/607693238.db2.gz UQJBZHYTEBVKBY-VIFPVBQESA-N -1 3 364.331 3.047 20 0 FGADHM C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000824772168 607693239 /nfs/dbraw/zinc/69/32/39/607693239.db2.gz UQJBZHYTEBVKBY-VIFPVBQESA-N -1 3 364.331 3.047 20 0 FGADHM COc1cc(Br)c(CN(C)C2(C(=O)[O-])CCCC2)cc1OC ZINC000320153096 604454444 /nfs/dbraw/zinc/45/44/44/604454444.db2.gz MGMFXCKHSVVQPL-UHFFFAOYSA-N -1 3 372.259 3.296 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CC[C@H](Cc2ccccc2)[C@H]1C ZINC000826243967 607700270 /nfs/dbraw/zinc/70/02/70/607700270.db2.gz CAKSQKPZCVJYEB-NVXWUHKLSA-N -1 3 361.449 3.268 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CC[C@H](Cc2ccccc2)[C@H]1C ZINC000826243967 607700271 /nfs/dbraw/zinc/70/02/71/607700271.db2.gz CAKSQKPZCVJYEB-NVXWUHKLSA-N -1 3 361.449 3.268 20 0 FGADHM CC(C)CN(CCN(C)C)C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000826876248 604517755 /nfs/dbraw/zinc/51/77/55/604517755.db2.gz ZEZOFACOHRCOEX-QGZVFWFLSA-N -1 3 363.502 3.068 20 0 FGADHM C[C@@H](Oc1ccc(CN(C)C[C@@H]2OCCc3ccccc32)cc1)C(=O)[O-] ZINC000833539216 604607625 /nfs/dbraw/zinc/60/76/25/604607625.db2.gz XRRRYDDIOKLWDQ-QRWLVFNGSA-N -1 3 355.434 3.284 20 0 FGADHM O=C([O-])[C@H](O)C1CCN(Cc2ccc(OCc3cccc(F)c3)cc2)CC1 ZINC000833770451 604762285 /nfs/dbraw/zinc/76/22/85/604762285.db2.gz GNQWEMXVOFERSB-HXUWFJFHSA-N -1 3 373.424 3.062 20 0 FGADHM CC(C)[C@@H](N[C@@H](C)C(=O)N1CCC(C(=O)[O-])CC1)c1ccc(Cl)cc1 ZINC000827717330 604833840 /nfs/dbraw/zinc/83/38/40/604833840.db2.gz GMVFVKQMVHCLQP-SUMWQHHRSA-N -1 3 366.889 3.338 20 0 FGADHM C[C@@H](NCc1ccc(CCNC(=O)[O-])cc1)c1ccc2c(c1)OCCO2 ZINC000825501795 604941577 /nfs/dbraw/zinc/94/15/77/604941577.db2.gz FGODVHHLKJPLMV-CQSZACIVSA-N -1 3 356.422 3.119 20 0 FGADHM C[C@H](NCc1ccc(CCNC(=O)[O-])cc1)c1ccc2c(c1)OCCO2 ZINC000825501794 604941798 /nfs/dbraw/zinc/94/17/98/604941798.db2.gz FGODVHHLKJPLMV-AWEZNQCLSA-N -1 3 356.422 3.119 20 0 FGADHM C[C@@H](C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1)N1[C@H](C)CC[C@H]1C ZINC000828214819 604941859 /nfs/dbraw/zinc/94/18/59/604941859.db2.gz UCQXYFCBFSWZDT-UTUOFQBUSA-N -1 3 354.834 3.003 20 0 FGADHM C[C@@H](NCc1ccc(CCNC(=O)[O-])cc1)c1ccc2c(c1)CCC(=O)N2 ZINC000825503953 604942954 /nfs/dbraw/zinc/94/29/54/604942954.db2.gz ZRMDHFVVHOPCQK-CQSZACIVSA-N -1 3 367.449 3.232 20 0 FGADHM CC(C)(C(=O)[O-])[C@H]1CCCN([C@H]2CCCN(c3ccccc3F)C2=O)C1 ZINC000833417293 604945856 /nfs/dbraw/zinc/94/58/56/604945856.db2.gz OMMDRAVFMSLZNW-YOEHRIQHSA-N -1 3 362.445 3.144 20 0 FGADHM CCc1nc(NC(=O)[C@H]2CCCN(Cc3ccccc3)C2)sc1C(=O)[O-] ZINC000833676782 604994300 /nfs/dbraw/zinc/99/43/00/604994300.db2.gz WSSPWUMCNNAEOB-AWEZNQCLSA-N -1 3 373.478 3.254 20 0 FGADHM CCc1oc(C(=O)[O-])cc1CN1C[C@H](CNC(=O)OC(C)(C)C)C[C@@H]1C ZINC000833677960 605089694 /nfs/dbraw/zinc/08/96/94/605089694.db2.gz GQJZALMAJVVWNH-STQMWFEESA-N -1 3 366.458 3.275 20 0 FGADHM CCN(Cc1nc(C2CCCC2)no1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825444626 607738314 /nfs/dbraw/zinc/73/83/14/607738314.db2.gz PKSFQSALISCLRC-CYBMUJFWSA-N -1 3 367.457 3.490 20 0 FGADHM C[C@@H]1Cc2ccccc2N1C(=O)CN[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000833631565 605181322 /nfs/dbraw/zinc/18/13/22/605181322.db2.gz DOCWMEYAXAWWDZ-FOIQADDNSA-N -1 3 366.461 3.406 20 0 FGADHM CCN(Cc1nc(C2CCCC2)no1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825444626 607738315 /nfs/dbraw/zinc/73/83/15/607738315.db2.gz PKSFQSALISCLRC-CYBMUJFWSA-N -1 3 367.457 3.490 20 0 FGADHM C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)Cc1ccccc1C(=O)[O-] ZINC000833615928 605255114 /nfs/dbraw/zinc/25/51/14/605255114.db2.gz NFVIXMNBIPCTPO-KRWDZBQOSA-N -1 3 366.461 3.050 20 0 FGADHM CC(=O)Nc1ccc(CCN[C@@H](C(=O)[O-])c2c(F)cccc2Cl)cc1 ZINC000833400068 605357560 /nfs/dbraw/zinc/35/75/60/605357560.db2.gz YTEBBHARILCLTA-QGZVFWFLSA-N -1 3 364.804 3.396 20 0 FGADHM CC(C)[C@@H](N[C@H](C)C[C@H]1CCCN1C(=O)[O-])c1nc(-c2ccncc2)no1 ZINC000824768785 605497379 /nfs/dbraw/zinc/49/73/79/605497379.db2.gz QIMWDYAWTMPEPX-FVQBIDKESA-N -1 3 373.457 3.339 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CC[C@@H]1c1cccc(F)c1 ZINC000826278171 607762871 /nfs/dbraw/zinc/76/28/71/607762871.db2.gz SPRFLTBQOYVHJS-MRXNPFEDSA-N -1 3 352.373 3.293 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CC[C@@H]1c1cccc(F)c1 ZINC000826278171 607762872 /nfs/dbraw/zinc/76/28/72/607762872.db2.gz SPRFLTBQOYVHJS-MRXNPFEDSA-N -1 3 352.373 3.293 20 0 FGADHM Cc1cc(C(=O)N(CCN(C)C)Cc2ccccc2F)ccc1NC(=O)[O-] ZINC000829919895 605687904 /nfs/dbraw/zinc/68/79/04/605687904.db2.gz SYNAWBVMENOSOQ-UHFFFAOYSA-N -1 3 373.428 3.428 20 0 FGADHM C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1Cc1cc(C(=O)[O-])ccc1F ZINC000833597568 605844510 /nfs/dbraw/zinc/84/45/10/605844510.db2.gz SVRRATYXEBJBJV-STQMWFEESA-N -1 3 366.433 3.259 20 0 FGADHM c1ccc(COc2cccc(CNc3ccc(-c4nnn[n-]4)nc3)c2)cc1 ZINC000823788006 606048367 /nfs/dbraw/zinc/04/83/67/606048367.db2.gz SUHRGUCWQUUTTK-UHFFFAOYSA-N -1 3 358.405 3.453 20 0 FGADHM c1ccc(COc2cccc(CNc3ccc(-c4nn[n-]n4)nc3)c2)cc1 ZINC000823788006 606048373 /nfs/dbraw/zinc/04/83/73/606048373.db2.gz SUHRGUCWQUUTTK-UHFFFAOYSA-N -1 3 358.405 3.453 20 0 FGADHM COc1ccc([C@@H]2CCN(c3nc4ccccc4cc3-c3nnn[n-]3)C2)cc1 ZINC000821787170 606068047 /nfs/dbraw/zinc/06/80/47/606068047.db2.gz PHSLYNRFABZAQK-MRXNPFEDSA-N -1 3 372.432 3.417 20 0 FGADHM COc1ccc([C@@H]2CCN(c3nc4ccccc4cc3-c3nn[n-]n3)C2)cc1 ZINC000821787170 606068052 /nfs/dbraw/zinc/06/80/52/606068052.db2.gz PHSLYNRFABZAQK-MRXNPFEDSA-N -1 3 372.432 3.417 20 0 FGADHM COc1ccc(CCNc2nc3ccccc3cc2-c2nnn[n-]2)cc1F ZINC000821790418 606069628 /nfs/dbraw/zinc/06/96/28/606069628.db2.gz NKKGBTOKEVXTAT-UHFFFAOYSA-N -1 3 364.384 3.217 20 0 FGADHM COc1ccc(CCNc2nc3ccccc3cc2-c2nn[n-]n2)cc1F ZINC000821790418 606069633 /nfs/dbraw/zinc/06/96/33/606069633.db2.gz NKKGBTOKEVXTAT-UHFFFAOYSA-N -1 3 364.384 3.217 20 0 FGADHM c1ccc(N2CC[C@H](Nc3nc4ccccc4cc3-c3nnn[n-]3)C2)cc1 ZINC000823787990 606080028 /nfs/dbraw/zinc/08/00/28/606080028.db2.gz SGDZSPYPBKTWJI-HNNXBMFYSA-N -1 3 357.421 3.106 20 0 FGADHM c1ccc(N2CC[C@H](Nc3nc4ccccc4cc3-c3nn[n-]n3)C2)cc1 ZINC000823787990 606080035 /nfs/dbraw/zinc/08/00/35/606080035.db2.gz SGDZSPYPBKTWJI-HNNXBMFYSA-N -1 3 357.421 3.106 20 0 FGADHM CSCc1cc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2)ccc1F ZINC000821970527 606135018 /nfs/dbraw/zinc/13/50/18/606135018.db2.gz PJQHDDUHDIVYAS-UHFFFAOYSA-N -1 3 358.398 3.226 20 0 FGADHM CSCc1cc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2)ccc1F ZINC000821970527 606135020 /nfs/dbraw/zinc/13/50/20/606135020.db2.gz PJQHDDUHDIVYAS-UHFFFAOYSA-N -1 3 358.398 3.226 20 0 FGADHM CC[C@H](Oc1cccc(C)c1)C(=O)OCc1cc(-c2nnn[n-]2)ccc1F ZINC000820938506 606140399 /nfs/dbraw/zinc/14/03/99/606140399.db2.gz KOWNLFUSXBEARM-KRWDZBQOSA-N -1 3 370.384 3.215 20 0 FGADHM CC[C@H](Oc1cccc(C)c1)C(=O)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000820938506 606140401 /nfs/dbraw/zinc/14/04/01/606140401.db2.gz KOWNLFUSXBEARM-KRWDZBQOSA-N -1 3 370.384 3.215 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)OCCCOc1cccc(Cl)c1 ZINC000823109061 606146953 /nfs/dbraw/zinc/14/69/53/606146953.db2.gz WWBDXVILOVJIKW-UHFFFAOYSA-N -1 3 372.812 3.075 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)OCCCOc1cccc(Cl)c1 ZINC000823109061 606146954 /nfs/dbraw/zinc/14/69/54/606146954.db2.gz WWBDXVILOVJIKW-UHFFFAOYSA-N -1 3 372.812 3.075 20 0 FGADHM O=C(C/C=C\c1ccc(F)cc1)OCc1ccc(-c2nnn[n-]2)cc1F ZINC000822945759 606148309 /nfs/dbraw/zinc/14/83/09/606148309.db2.gz PVNXKAMHFBHFJL-UPHRSURJSA-N -1 3 356.332 3.292 20 0 FGADHM O=C(C/C=C\c1ccc(F)cc1)OCc1ccc(-c2nn[n-]n2)cc1F ZINC000822945759 606148310 /nfs/dbraw/zinc/14/83/10/606148310.db2.gz PVNXKAMHFBHFJL-UPHRSURJSA-N -1 3 356.332 3.292 20 0 FGADHM CCS[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000821456087 606153630 /nfs/dbraw/zinc/15/36/30/606153630.db2.gz NCVXONBWYHVVQF-UONOGXRCSA-N -1 3 364.450 3.192 20 0 FGADHM CCS[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821456087 606153631 /nfs/dbraw/zinc/15/36/31/606153631.db2.gz NCVXONBWYHVVQF-UONOGXRCSA-N -1 3 364.450 3.192 20 0 FGADHM C[C@@H](OC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1nc2ccccc2n1C ZINC000820487494 606169238 /nfs/dbraw/zinc/16/92/38/606169238.db2.gz HIPOVEKDWPUXTC-YLGBQOPLSA-N -1 3 374.404 3.071 20 0 FGADHM C[C@@H](OC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1nc2ccccc2n1C ZINC000820487494 606169240 /nfs/dbraw/zinc/16/92/40/606169240.db2.gz HIPOVEKDWPUXTC-YLGBQOPLSA-N -1 3 374.404 3.071 20 0 FGADHM O=[S@](Cc1csc(-c2ccoc2)n1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000823614957 606181176 /nfs/dbraw/zinc/18/11/76/606181176.db2.gz VNPZXURCZYFJFG-VWLOTQADSA-N -1 3 371.447 3.032 20 0 FGADHM O=[S@](Cc1csc(-c2ccoc2)n1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000823614957 606181178 /nfs/dbraw/zinc/18/11/78/606181178.db2.gz VNPZXURCZYFJFG-VWLOTQADSA-N -1 3 371.447 3.032 20 0 FGADHM Oc1ccc(C2CCN(c3c(F)cc(-c4nnn[n-]4)cc3F)CC2)cc1 ZINC000823727216 606214301 /nfs/dbraw/zinc/21/43/01/606214301.db2.gz UZDQFTDQYIMCOT-UHFFFAOYSA-N -1 3 357.364 3.235 20 0 FGADHM Oc1ccc(C2CCN(c3c(F)cc(-c4nn[n-]n4)cc3F)CC2)cc1 ZINC000823727216 606214303 /nfs/dbraw/zinc/21/43/03/606214303.db2.gz UZDQFTDQYIMCOT-UHFFFAOYSA-N -1 3 357.364 3.235 20 0 FGADHM Clc1ccc2c(c1Cl)OC[C@H]2NCc1cc(-c2nnn[n-]2)cs1 ZINC000822581199 606224222 /nfs/dbraw/zinc/22/42/22/606224222.db2.gz DKANIDMZKAMTLN-LLVKDONJSA-N -1 3 368.249 3.458 20 0 FGADHM Clc1ccc2c(c1Cl)OC[C@H]2NCc1cc(-c2nn[n-]n2)cs1 ZINC000822581199 606224224 /nfs/dbraw/zinc/22/42/24/606224224.db2.gz DKANIDMZKAMTLN-LLVKDONJSA-N -1 3 368.249 3.458 20 0 FGADHM O[C@@H](C[C@@H]1CCCCCN1c1ncccc1-c1nnn[n-]1)c1ccccc1 ZINC000823672374 606241590 /nfs/dbraw/zinc/24/15/90/606241590.db2.gz DGIOPJBSTABDED-WMZOPIPTSA-N -1 3 364.453 3.134 20 0 FGADHM O[C@@H](C[C@@H]1CCCCCN1c1ncccc1-c1nn[n-]n1)c1ccccc1 ZINC000823672374 606241592 /nfs/dbraw/zinc/24/15/92/606241592.db2.gz DGIOPJBSTABDED-WMZOPIPTSA-N -1 3 364.453 3.134 20 0 FGADHM O=C(Nc1ccc(OCc2ccccc2)cc1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823350717 606246206 /nfs/dbraw/zinc/24/62/06/606246206.db2.gz YHZMKFPSVWHBMT-UHFFFAOYSA-N -1 3 360.377 3.026 20 0 FGADHM O=C(Nc1ccc(OCc2ccccc2)cc1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823350717 606246208 /nfs/dbraw/zinc/24/62/08/606246208.db2.gz YHZMKFPSVWHBMT-UHFFFAOYSA-N -1 3 360.377 3.026 20 0 FGADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N1CCCSc2ccc(Cl)cc21 ZINC000822627113 606261990 /nfs/dbraw/zinc/26/19/90/606261990.db2.gz JXMWLXSVYJFWCJ-UHFFFAOYSA-N -1 3 374.857 3.001 20 0 FGADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N1CCCSc2ccc(Cl)cc21 ZINC000822627113 606261992 /nfs/dbraw/zinc/26/19/92/606261992.db2.gz JXMWLXSVYJFWCJ-UHFFFAOYSA-N -1 3 374.857 3.001 20 0 FGADHM CCCOc1ccc(CCC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000821134406 606264268 /nfs/dbraw/zinc/26/42/68/606264268.db2.gz SPGXLSWKTHFPAK-UHFFFAOYSA-N -1 3 369.400 3.366 20 0 FGADHM CCCOc1ccc(CCC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000821134406 606264270 /nfs/dbraw/zinc/26/42/70/606264270.db2.gz SPGXLSWKTHFPAK-UHFFFAOYSA-N -1 3 369.400 3.366 20 0 FGADHM COc1ccc(S[C@@H](C)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000821846650 606268698 /nfs/dbraw/zinc/26/86/98/606268698.db2.gz WXJAKSLAWZSJGR-JTQLQIEISA-N -1 3 373.413 3.134 20 0 FGADHM COc1ccc(S[C@@H](C)C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000821846650 606268700 /nfs/dbraw/zinc/26/87/00/606268700.db2.gz WXJAKSLAWZSJGR-JTQLQIEISA-N -1 3 373.413 3.134 20 0 FGADHM O=C(CSc1ccc(F)c(F)c1)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000823065779 606271257 /nfs/dbraw/zinc/27/12/57/606271257.db2.gz BJTJMMDGVFGWRG-UHFFFAOYSA-N -1 3 365.340 3.015 20 0 FGADHM O=C(CSc1ccc(F)c(F)c1)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000823065779 606271258 /nfs/dbraw/zinc/27/12/58/606271258.db2.gz BJTJMMDGVFGWRG-UHFFFAOYSA-N -1 3 365.340 3.015 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H](C)Oc1ccccc1 ZINC000821118558 606281339 /nfs/dbraw/zinc/28/13/39/606281339.db2.gz OYGHUYJOJMHKKW-ZDUSSCGKSA-N -1 3 366.425 3.095 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccnc(SC)c1 ZINC000821123791 606282254 /nfs/dbraw/zinc/28/22/54/606282254.db2.gz ZALFTRHOFLBCEM-UHFFFAOYSA-N -1 3 369.454 3.058 20 0 FGADHM CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000820939237 606283220 /nfs/dbraw/zinc/28/32/20/606283220.db2.gz RIZWOHHTHLYTHT-SJORKVTESA-N -1 3 364.453 3.004 20 0 FGADHM CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000820939237 606283221 /nfs/dbraw/zinc/28/32/21/606283221.db2.gz RIZWOHHTHLYTHT-SJORKVTESA-N -1 3 364.453 3.004 20 0 FGADHM C[C@@H](Sc1cccc(-c2nnn[n-]2)c1)c1nc2ccccc2c(=O)[nH]1 ZINC000820556145 606325414 /nfs/dbraw/zinc/32/54/14/606325414.db2.gz RRNPHFFWECUVSS-SNVBAGLBSA-N -1 3 350.407 3.369 20 0 FGADHM C[C@@H](Sc1cccc(-c2nn[n-]n2)c1)c1nc2ccccc2c(=O)[nH]1 ZINC000820556145 606325416 /nfs/dbraw/zinc/32/54/16/606325416.db2.gz RRNPHFFWECUVSS-SNVBAGLBSA-N -1 3 350.407 3.369 20 0 FGADHM C[C@@H](OC(=O)C(F)(F)c1ccc(F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820489032 606338863 /nfs/dbraw/zinc/33/88/63/606338863.db2.gz YIPMPNVMRZVMMW-SNVBAGLBSA-N -1 3 362.311 3.402 20 0 FGADHM C[C@@H](OC(=O)C(F)(F)c1ccc(F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820489032 606338864 /nfs/dbraw/zinc/33/88/64/606338864.db2.gz YIPMPNVMRZVMMW-SNVBAGLBSA-N -1 3 362.311 3.402 20 0 FGADHM COc1cccc([C@@H]2C[C@H]2C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821864349 606348291 /nfs/dbraw/zinc/34/82/91/606348291.db2.gz XXUAGVHCANWKHR-UYHISHBKSA-N -1 3 364.405 3.283 20 0 FGADHM COc1cccc([C@@H]2C[C@H]2C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821864349 606348293 /nfs/dbraw/zinc/34/82/93/606348293.db2.gz XXUAGVHCANWKHR-UYHISHBKSA-N -1 3 364.405 3.283 20 0 FGADHM CCS[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000821453964 606348857 /nfs/dbraw/zinc/34/88/57/606348857.db2.gz BWWUTEGWKMJBRS-ZIAGYGMSSA-N -1 3 364.450 3.192 20 0 FGADHM CCS[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000821453964 606348859 /nfs/dbraw/zinc/34/88/59/606348859.db2.gz BWWUTEGWKMJBRS-ZIAGYGMSSA-N -1 3 364.450 3.192 20 0 FGADHM COc1ccc(C=CC(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821786293 606350010 /nfs/dbraw/zinc/35/00/10/606350010.db2.gz CSHJMRNHJYTNNT-QWGHSUKYSA-N -1 3 350.378 3.193 20 0 FGADHM COc1ccc(C=CC(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821786293 606350011 /nfs/dbraw/zinc/35/00/11/606350011.db2.gz CSHJMRNHJYTNNT-QWGHSUKYSA-N -1 3 350.378 3.193 20 0 FGADHM Cc1nn(-c2ccccc2)cc1C(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000822486546 606353582 /nfs/dbraw/zinc/35/35/82/606353582.db2.gz NYPXPGIDCWEUTI-AWEZNQCLSA-N -1 3 374.404 3.279 20 0 FGADHM Cc1nn(-c2ccccc2)cc1C(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000822486546 606353583 /nfs/dbraw/zinc/35/35/83/606353583.db2.gz NYPXPGIDCWEUTI-AWEZNQCLSA-N -1 3 374.404 3.279 20 0 FGADHM Cc1ccc([C@H](C)CNC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000822229207 606354729 /nfs/dbraw/zinc/35/47/29/606354729.db2.gz OYCSHZYORJURQK-GFCCVEGCSA-N -1 3 354.389 3.239 20 0 FGADHM Cc1ccc([C@H](C)CNC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000822229207 606354730 /nfs/dbraw/zinc/35/47/30/606354730.db2.gz OYCSHZYORJURQK-GFCCVEGCSA-N -1 3 354.389 3.239 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)N1CC[C@@H](c2cccc(F)c2)C1 ZINC000823343991 606354922 /nfs/dbraw/zinc/35/49/22/606354922.db2.gz NHDGMEHPFVSEDM-GFCCVEGCSA-N -1 3 370.363 3.166 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)N1CC[C@@H](c2cccc(F)c2)C1 ZINC000823343991 606354923 /nfs/dbraw/zinc/35/49/23/606354923.db2.gz NHDGMEHPFVSEDM-GFCCVEGCSA-N -1 3 370.363 3.166 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)NC1(c2ccc(F)cc2)CCC1 ZINC000823344329 606357166 /nfs/dbraw/zinc/35/71/66/606357166.db2.gz VLHCAJOQXMDCBH-UHFFFAOYSA-N -1 3 370.363 3.346 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)NC1(c2ccc(F)cc2)CCC1 ZINC000823344329 606357167 /nfs/dbraw/zinc/35/71/67/606357167.db2.gz VLHCAJOQXMDCBH-UHFFFAOYSA-N -1 3 370.363 3.346 20 0 FGADHM Cc1csc([C@@H](NC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)C2CC2)n1 ZINC000822409679 606359477 /nfs/dbraw/zinc/35/94/77/606359477.db2.gz UJPFYIIFUIBSDP-ZDUSSCGKSA-N -1 3 373.417 3.044 20 0 FGADHM Cc1csc([C@@H](NC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C2CC2)n1 ZINC000822409679 606359479 /nfs/dbraw/zinc/35/94/79/606359479.db2.gz UJPFYIIFUIBSDP-ZDUSSCGKSA-N -1 3 373.417 3.044 20 0 FGADHM Cc1ccccc1-n1cc(C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000822345972 606360633 /nfs/dbraw/zinc/36/06/33/606360633.db2.gz YHMAXNXZPBYONM-CQSZACIVSA-N -1 3 374.404 3.279 20 0 FGADHM Cc1ccccc1-n1cc(C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000822345972 606360636 /nfs/dbraw/zinc/36/06/36/606360636.db2.gz YHMAXNXZPBYONM-CQSZACIVSA-N -1 3 374.404 3.279 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)c1cc(C)c(F)cc1F ZINC000821389926 606372573 /nfs/dbraw/zinc/37/25/73/606372573.db2.gz RHTNEBFIBPLOOO-UHFFFAOYSA-N -1 3 360.320 3.071 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)c1cc(C)c(F)cc1F ZINC000821389926 606372574 /nfs/dbraw/zinc/37/25/74/606372574.db2.gz RHTNEBFIBPLOOO-UHFFFAOYSA-N -1 3 360.320 3.071 20 0 FGADHM Cc1cccc(NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)c1O ZINC000822323878 606380997 /nfs/dbraw/zinc/38/09/97/606380997.db2.gz PXIZCIDCNCNKFN-UHFFFAOYSA-N -1 3 367.409 3.069 20 0 FGADHM Cc1cccc(NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)c1O ZINC000822323878 606380998 /nfs/dbraw/zinc/38/09/98/606380998.db2.gz PXIZCIDCNCNKFN-UHFFFAOYSA-N -1 3 367.409 3.069 20 0 FGADHM Cc1cccc(O[C@H](C)C(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)c1 ZINC000822326786 606413453 /nfs/dbraw/zinc/41/34/53/606413453.db2.gz ANCYMJYKFLQAMR-GFCCVEGCSA-N -1 3 371.828 3.259 20 0 FGADHM Cc1cccc(O[C@H](C)C(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)c1 ZINC000822326786 606413455 /nfs/dbraw/zinc/41/34/55/606413455.db2.gz ANCYMJYKFLQAMR-GFCCVEGCSA-N -1 3 371.828 3.259 20 0 FGADHM CN(C(=O)[C@H]1Cc2ccccc2S1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821569769 606414399 /nfs/dbraw/zinc/41/43/99/606414399.db2.gz VGTLSFLDZCAZMK-OAHLLOKOSA-N -1 3 371.853 3.200 20 0 FGADHM CN(C(=O)[C@H]1Cc2ccccc2S1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821569769 606414400 /nfs/dbraw/zinc/41/44/00/606414400.db2.gz VGTLSFLDZCAZMK-OAHLLOKOSA-N -1 3 371.853 3.200 20 0 FGADHM Fc1ccc(N2CC[C@@H](OCCCc3ccccc3)C2)c(-c2nnn[n-]2)c1 ZINC000822778518 606429469 /nfs/dbraw/zinc/42/94/69/606429469.db2.gz KBVKOEPHBBYYBK-QGZVFWFLSA-N -1 3 367.428 3.234 20 0 FGADHM Fc1ccc(N2CC[C@@H](OCCCc3ccccc3)C2)c(-c2nn[n-]n2)c1 ZINC000822778518 606429471 /nfs/dbraw/zinc/42/94/71/606429471.db2.gz KBVKOEPHBBYYBK-QGZVFWFLSA-N -1 3 367.428 3.234 20 0 FGADHM O=C(CCn1cccc1)N(Cc1ccccc1)c1ccccc1-c1nnn[n-]1 ZINC000822987099 606429706 /nfs/dbraw/zinc/42/97/06/606429706.db2.gz QJKNLFIJRVUTMB-UHFFFAOYSA-N -1 3 372.432 3.292 20 0 FGADHM O=C(CCn1cccc1)N(Cc1ccccc1)c1ccccc1-c1nn[n-]n1 ZINC000822987099 606429708 /nfs/dbraw/zinc/42/97/08/606429708.db2.gz QJKNLFIJRVUTMB-UHFFFAOYSA-N -1 3 372.432 3.292 20 0 FGADHM C[C@@H](NC(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1c(F)cccc1Cl ZINC000820335353 606444145 /nfs/dbraw/zinc/44/41/45/606444145.db2.gz WRDSEMSLCAKOQV-SNVBAGLBSA-N -1 3 359.792 3.079 20 0 FGADHM C[C@@H](NC(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1c(F)cccc1Cl ZINC000820335353 606444147 /nfs/dbraw/zinc/44/41/47/606444147.db2.gz WRDSEMSLCAKOQV-SNVBAGLBSA-N -1 3 359.792 3.079 20 0 FGADHM FC(F)(F)[C@@H]1CCC[C@@H](Nc2c(-c3nnn[n-]3)cnc3ccccc32)C1 ZINC000822714633 606447289 /nfs/dbraw/zinc/44/72/89/606447289.db2.gz QQEDAYCHPPSXIW-GHMZBOCLSA-N -1 3 362.359 3.370 20 0 FGADHM FC(F)(F)[C@@H]1CCC[C@@H](Nc2c(-c3nn[n-]n3)cnc3ccccc32)C1 ZINC000822714633 606447291 /nfs/dbraw/zinc/44/72/91/606447291.db2.gz QQEDAYCHPPSXIW-GHMZBOCLSA-N -1 3 362.359 3.370 20 0 FGADHM CCC(=O)Nc1ccc(C)c(NCc2cc(-c3nnn[n-]3)ccc2F)c1 ZINC000820836611 606448229 /nfs/dbraw/zinc/44/82/29/606448229.db2.gz CTENUNDEQHQRFF-UHFFFAOYSA-N -1 3 354.389 3.275 20 0 FGADHM CCC(=O)Nc1ccc(C)c(NCc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC000820836611 606448231 /nfs/dbraw/zinc/44/82/31/606448231.db2.gz CTENUNDEQHQRFF-UHFFFAOYSA-N -1 3 354.389 3.275 20 0 FGADHM O[C@@H](CNc1ccc(-c2nn[n-]n2)cc1C(F)(F)F)c1ccccc1F ZINC000823690747 606452845 /nfs/dbraw/zinc/45/28/45/606452845.db2.gz SUFIIDJNWBKDHO-AWEZNQCLSA-N -1 3 367.306 3.170 20 0 FGADHM C[C@H](CNc1c(-c2nnn[n-]2)cnc2ccc(Cl)cc21)c1ccncc1 ZINC000820276795 606476991 /nfs/dbraw/zinc/47/69/91/606476991.db2.gz ZSWMYDQBKWTWRR-LLVKDONJSA-N -1 3 365.828 3.101 20 0 FGADHM C[C@H](CNc1c(-c2nn[n-]n2)cnc2ccc(Cl)cc21)c1ccncc1 ZINC000820276795 606476993 /nfs/dbraw/zinc/47/69/93/606476993.db2.gz ZSWMYDQBKWTWRR-LLVKDONJSA-N -1 3 365.828 3.101 20 0 FGADHM Cc1cccc(-c2c[nH]c([C@@H]3CCCN3c3ccc(-c4nnn[n-]4)cn3)n2)c1 ZINC000822284341 606481435 /nfs/dbraw/zinc/48/14/35/606481435.db2.gz PIPQYISAACLKBW-KRWDZBQOSA-N -1 3 372.436 3.302 20 0 FGADHM Cc1cccc(-c2c[nH]c([C@@H]3CCCN3c3ccc(-c4nn[n-]n4)cn3)n2)c1 ZINC000822284341 606481437 /nfs/dbraw/zinc/48/14/37/606481437.db2.gz PIPQYISAACLKBW-KRWDZBQOSA-N -1 3 372.436 3.302 20 0 FGADHM O=C(Nc1ccc(-c2nccs2)cc1)c1cc(-c2nnn[n-]2)cs1 ZINC000823299501 606482550 /nfs/dbraw/zinc/48/25/50/606482550.db2.gz ZPWNBTACTFDLPL-UHFFFAOYSA-N -1 3 354.420 3.304 20 0 FGADHM O=C(Nc1ccc(-c2nccs2)cc1)c1cc(-c2nn[n-]n2)cs1 ZINC000823299501 606482552 /nfs/dbraw/zinc/48/25/52/606482552.db2.gz ZPWNBTACTFDLPL-UHFFFAOYSA-N -1 3 354.420 3.304 20 0 FGADHM COc1cc(Cl)c(C)cc1NC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821716911 606489167 /nfs/dbraw/zinc/48/91/67/606489167.db2.gz GVEHNRPQINKQCB-UHFFFAOYSA-N -1 3 357.801 3.018 20 0 FGADHM COc1cc(Cl)c(C)cc1NC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821716911 606489168 /nfs/dbraw/zinc/48/91/68/606489168.db2.gz GVEHNRPQINKQCB-UHFFFAOYSA-N -1 3 357.801 3.018 20 0 FGADHM CCCOc1ccc([C@H](C)NC(=O)c2cc(-c3nnn[n-]3)cs2)cc1 ZINC000821127127 606490565 /nfs/dbraw/zinc/49/05/65/606490565.db2.gz BSQQBUUFKCICPE-NSHDSACASA-N -1 3 357.439 3.208 20 0 FGADHM CCCOc1ccc([C@H](C)NC(=O)c2cc(-c3nn[n-]n3)cs2)cc1 ZINC000821127127 606490567 /nfs/dbraw/zinc/49/05/67/606490567.db2.gz BSQQBUUFKCICPE-NSHDSACASA-N -1 3 357.439 3.208 20 0 FGADHM CC(C)CN(CCc1ccccc1)C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820086563 606492117 /nfs/dbraw/zinc/49/21/17/606492117.db2.gz AMRIULQBTBYRHJ-UHFFFAOYSA-N -1 3 355.467 3.269 20 0 FGADHM CC(C)CN(CCc1ccccc1)C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820086563 606492119 /nfs/dbraw/zinc/49/21/19/606492119.db2.gz AMRIULQBTBYRHJ-UHFFFAOYSA-N -1 3 355.467 3.269 20 0 FGADHM Cc1ccc(C2=CCN(C(=O)Cc3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC000822231998 606498268 /nfs/dbraw/zinc/49/82/68/606498268.db2.gz PUKVSHWQJKYBQC-UHFFFAOYSA-N -1 3 359.433 3.034 20 0 FGADHM Cc1ccc(C2=CCN(C(=O)Cc3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000822231998 606498269 /nfs/dbraw/zinc/49/82/69/606498269.db2.gz PUKVSHWQJKYBQC-UHFFFAOYSA-N -1 3 359.433 3.034 20 0 FGADHM Cc1[nH]c2c(cc(C)cc2CNC(=O)c2cc(-c3nnn[n-]3)cs2)c1C ZINC000822200995 606498805 /nfs/dbraw/zinc/49/88/05/606498805.db2.gz MFWDMYWQDFKQKK-UHFFFAOYSA-N -1 3 366.450 3.265 20 0 FGADHM Cc1[nH]c2c(cc(C)cc2CNC(=O)c2cc(-c3nn[n-]n3)cs2)c1C ZINC000822200995 606498808 /nfs/dbraw/zinc/49/88/08/606498808.db2.gz MFWDMYWQDFKQKK-UHFFFAOYSA-N -1 3 366.450 3.265 20 0 FGADHM CC[C@@H](NC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)cc1 ZINC000820914631 606500400 /nfs/dbraw/zinc/50/04/00/606500400.db2.gz QHHQUOCFNABBIG-MRXNPFEDSA-N -1 3 355.829 3.330 20 0 FGADHM CC[C@@H](NC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)cc1 ZINC000820914631 606500402 /nfs/dbraw/zinc/50/04/02/606500402.db2.gz QHHQUOCFNABBIG-MRXNPFEDSA-N -1 3 355.829 3.330 20 0 FGADHM CN(Cc1ccc2ccccc2c1)C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821612450 606501875 /nfs/dbraw/zinc/50/18/75/606501875.db2.gz VUSGTGQIQIBWDP-UHFFFAOYSA-N -1 3 357.417 3.221 20 0 FGADHM CN(Cc1ccc2ccccc2c1)C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821612450 606501877 /nfs/dbraw/zinc/50/18/77/606501877.db2.gz VUSGTGQIQIBWDP-UHFFFAOYSA-N -1 3 357.417 3.221 20 0 FGADHM O=C(Nc1ccnn1-c1cccc(Cl)c1)c1cc(-c2nnn[n-]2)cs1 ZINC000823376009 606507986 /nfs/dbraw/zinc/50/79/86/606507986.db2.gz UQQUUFVXAHUYSO-UHFFFAOYSA-N -1 3 371.813 3.020 20 0 FGADHM O=C(Nc1ccnn1-c1cccc(Cl)c1)c1cc(-c2nn[n-]n2)cs1 ZINC000823376009 606507988 /nfs/dbraw/zinc/50/79/88/606507988.db2.gz UQQUUFVXAHUYSO-UHFFFAOYSA-N -1 3 371.813 3.020 20 0 FGADHM O=C(N[C@H]1CCCC[C@H]1Cc1ccccc1)c1cc(-c2nnn[n-]2)cs1 ZINC000823150302 606508145 /nfs/dbraw/zinc/50/81/45/606508145.db2.gz NTDDTQWEJXROIJ-HOCLYGCPSA-N -1 3 367.478 3.460 20 0 FGADHM O=C(N[C@H]1CCCC[C@H]1Cc1ccccc1)c1cc(-c2nn[n-]n2)cs1 ZINC000823150302 606508147 /nfs/dbraw/zinc/50/81/47/606508147.db2.gz NTDDTQWEJXROIJ-HOCLYGCPSA-N -1 3 367.478 3.460 20 0 FGADHM CC[C@H]1c2ccsc2CCN1C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821001893 606510123 /nfs/dbraw/zinc/51/01/23/606510123.db2.gz SWSHSCLPBOMGKR-HNNXBMFYSA-N -1 3 353.451 3.007 20 0 FGADHM CC[C@H]1c2ccsc2CCN1C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821001893 606510125 /nfs/dbraw/zinc/51/01/25/606510125.db2.gz SWSHSCLPBOMGKR-HNNXBMFYSA-N -1 3 353.451 3.007 20 0 FGADHM CC(=Cc1ccc(F)cc1)C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000819765378 606522988 /nfs/dbraw/zinc/52/29/88/606522988.db2.gz PDNSWJCZPPHQEL-XZHRJIJLSA-N -1 3 351.385 3.287 20 0 FGADHM CC(=Cc1ccc(F)cc1)C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000819765378 606522990 /nfs/dbraw/zinc/52/29/90/606522990.db2.gz PDNSWJCZPPHQEL-XZHRJIJLSA-N -1 3 351.385 3.287 20 0 FGADHM CC(C)C[C@@H](NC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1cccs1 ZINC000820055857 606528670 /nfs/dbraw/zinc/52/86/70/606528670.db2.gz KULNYDKXZNRWLU-OAHLLOKOSA-N -1 3 355.467 3.374 20 0 FGADHM CC(C)C[C@@H](NC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1cccs1 ZINC000820055857 606528672 /nfs/dbraw/zinc/52/86/72/606528672.db2.gz KULNYDKXZNRWLU-OAHLLOKOSA-N -1 3 355.467 3.374 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1nc2c(s1)CCCCCC2 ZINC000823109108 606533956 /nfs/dbraw/zinc/53/39/56/606533956.db2.gz YQFHYVBYZAUFQZ-UHFFFAOYSA-N -1 3 368.466 3.163 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1nc2c(s1)CCCCCC2 ZINC000823109108 606533958 /nfs/dbraw/zinc/53/39/58/606533958.db2.gz YQFHYVBYZAUFQZ-UHFFFAOYSA-N -1 3 368.466 3.163 20 0 FGADHM CC[C@@H](C)Oc1cccc(NC(=O)Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC000820876703 606534267 /nfs/dbraw/zinc/53/42/67/606534267.db2.gz SDOZLMURMSBVNR-CYBMUJFWSA-N -1 3 351.410 3.225 20 0 FGADHM CC[C@@H](C)Oc1cccc(NC(=O)Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC000820876703 606534269 /nfs/dbraw/zinc/53/42/69/606534269.db2.gz SDOZLMURMSBVNR-CYBMUJFWSA-N -1 3 351.410 3.225 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N(CC1CCC1)CC(F)(F)F ZINC000822929662 606543424 /nfs/dbraw/zinc/54/34/24/606543424.db2.gz WLNPCYRJLTUPSL-CMDGGOBGSA-N -1 3 365.359 3.071 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N(CC1CCC1)CC(F)(F)F ZINC000822929662 606543425 /nfs/dbraw/zinc/54/34/25/606543425.db2.gz WLNPCYRJLTUPSL-CMDGGOBGSA-N -1 3 365.359 3.071 20 0 FGADHM C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820728479 606546024 /nfs/dbraw/zinc/54/60/24/606546024.db2.gz WOWCFERZFVTFAO-VFZGTOFNSA-N -1 3 357.414 3.121 20 0 FGADHM C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820728479 606546025 /nfs/dbraw/zinc/54/60/25/606546025.db2.gz WOWCFERZFVTFAO-VFZGTOFNSA-N -1 3 357.414 3.121 20 0 FGADHM O=C(NC[C@H]1CCC[C@H](C(F)(F)F)C1)c1sccc1-c1nnn[n-]1 ZINC000823175874 606554692 /nfs/dbraw/zinc/55/46/92/606554692.db2.gz NVVXPZWGAJPDIN-IUCAKERBSA-N -1 3 359.377 3.027 20 0 FGADHM O=C(NC[C@H]1CCC[C@H](C(F)(F)F)C1)c1sccc1-c1nn[n-]n1 ZINC000823175874 606554694 /nfs/dbraw/zinc/55/46/94/606554694.db2.gz NVVXPZWGAJPDIN-IUCAKERBSA-N -1 3 359.377 3.027 20 0 FGADHM CC(C)CCc1nc(COC(=O)c2cc(-c3nnn[n-]3)cs2)cs1 ZINC000820081543 606568432 /nfs/dbraw/zinc/56/84/32/606568432.db2.gz KRGHUVMEHKTSMD-UHFFFAOYSA-N -1 3 363.468 3.330 20 0 FGADHM CC(C)CCc1nc(COC(=O)c2cc(-c3nn[n-]n3)cs2)cs1 ZINC000820081543 606568433 /nfs/dbraw/zinc/56/84/33/606568433.db2.gz KRGHUVMEHKTSMD-UHFFFAOYSA-N -1 3 363.468 3.330 20 0 FGADHM Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000822350635 606568601 /nfs/dbraw/zinc/56/86/01/606568601.db2.gz FLQCMSAEXHHUCK-MAUKXSAKSA-N -1 3 361.449 3.122 20 0 FGADHM Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000822350635 606568602 /nfs/dbraw/zinc/56/86/02/606568602.db2.gz FLQCMSAEXHHUCK-MAUKXSAKSA-N -1 3 361.449 3.122 20 0 FGADHM Cc1ccc(/C=C\CC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000822233386 606621409 /nfs/dbraw/zinc/62/14/09/606621409.db2.gz NVDXSSMDBQGVRG-IHWYPQMZSA-N -1 3 351.385 3.034 20 0 FGADHM Cc1ccc(/C=C\CC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000822233386 606621410 /nfs/dbraw/zinc/62/14/10/606621410.db2.gz NVDXSSMDBQGVRG-IHWYPQMZSA-N -1 3 351.385 3.034 20 0 FGADHM O=C(CSc1ccc(Cl)cc1-c1nnn[n-]1)N1CCc2ccccc21 ZINC000823066468 606631070 /nfs/dbraw/zinc/63/10/70/606631070.db2.gz ZZWCWPNHJMUMPK-UHFFFAOYSA-N -1 3 371.853 3.202 20 0 FGADHM O=C(CSc1ccc(Cl)cc1-c1nn[n-]n1)N1CCc2ccccc21 ZINC000823066468 606631072 /nfs/dbraw/zinc/63/10/72/606631072.db2.gz ZZWCWPNHJMUMPK-UHFFFAOYSA-N -1 3 371.853 3.202 20 0 FGADHM c1ccc(-c2ccc(-c3nnn[n-]3)c(SCCC3OCCCO3)n2)cc1 ZINC000823767517 606638104 /nfs/dbraw/zinc/63/81/04/606638104.db2.gz SLBRYHYLLJWMQU-UHFFFAOYSA-N -1 3 369.450 3.174 20 0 FGADHM c1ccc(-c2ccc(-c3nn[n-]n3)c(SCCC3OCCCO3)n2)cc1 ZINC000823767517 606638105 /nfs/dbraw/zinc/63/81/05/606638105.db2.gz SLBRYHYLLJWMQU-UHFFFAOYSA-N -1 3 369.450 3.174 20 0 FGADHM O=C(Nc1sccc1-c1nnn[n-]1)c1cnc(Cc2ccccc2)s1 ZINC000823387537 606665150 /nfs/dbraw/zinc/66/51/50/606665150.db2.gz OEUCVYPAWOUVKB-UHFFFAOYSA-N -1 3 368.447 3.228 20 0 FGADHM O=C(Nc1sccc1-c1nn[n-]n1)c1cnc(Cc2ccccc2)s1 ZINC000823387537 606665151 /nfs/dbraw/zinc/66/51/51/606665151.db2.gz OEUCVYPAWOUVKB-UHFFFAOYSA-N -1 3 368.447 3.228 20 0 FGADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)CCCc1ccc(F)c(F)c1 ZINC000821608787 606667896 /nfs/dbraw/zinc/66/78/96/606667896.db2.gz VAGTZIRQWXOBPH-UHFFFAOYSA-N -1 3 371.391 3.126 20 0 FGADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)CCCc1ccc(F)c(F)c1 ZINC000821608787 606667897 /nfs/dbraw/zinc/66/78/97/606667897.db2.gz VAGTZIRQWXOBPH-UHFFFAOYSA-N -1 3 371.391 3.126 20 0 FGADHM O=C(NC1(c2ccc(F)cc2)CCC1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823139489 606674499 /nfs/dbraw/zinc/67/44/99/606674499.db2.gz GCXHGAZBTXDPJA-UHFFFAOYSA-N -1 3 373.338 3.093 20 0 FGADHM O=C(NC1(c2ccc(F)cc2)CCC1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823139489 606674500 /nfs/dbraw/zinc/67/45/00/606674500.db2.gz GCXHGAZBTXDPJA-UHFFFAOYSA-N -1 3 373.338 3.093 20 0 FGADHM Cc1ccccc1[C@@H](NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)C1CC1 ZINC000822351585 606679352 /nfs/dbraw/zinc/67/93/52/606679352.db2.gz OUTDXBXFPACAKM-KRWDZBQOSA-N -1 3 369.375 3.334 20 0 FGADHM Cc1ccccc1[C@@H](NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)C1CC1 ZINC000822351585 606679353 /nfs/dbraw/zinc/67/93/53/606679353.db2.gz OUTDXBXFPACAKM-KRWDZBQOSA-N -1 3 369.375 3.334 20 0 FGADHM Cc1cc([C@H](C)NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)ccc1F ZINC000822191776 606685989 /nfs/dbraw/zinc/68/59/89/606685989.db2.gz QDXSBWIYTBMJCE-VIFPVBQESA-N -1 3 361.327 3.083 20 0 FGADHM Cc1cc([C@H](C)NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)ccc1F ZINC000822191776 606685990 /nfs/dbraw/zinc/68/59/90/606685990.db2.gz QDXSBWIYTBMJCE-VIFPVBQESA-N -1 3 361.327 3.083 20 0 FGADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)O[C@@H](C)c1cc(F)cc(F)c1 ZINC000820550824 606686634 /nfs/dbraw/zinc/68/66/34/606686634.db2.gz ZLSBPBLQINXYPO-QWRGUYRKSA-N -1 3 374.347 3.217 20 0 FGADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)O[C@@H](C)c1cc(F)cc(F)c1 ZINC000820550824 606686635 /nfs/dbraw/zinc/68/66/35/606686635.db2.gz ZLSBPBLQINXYPO-QWRGUYRKSA-N -1 3 374.347 3.217 20 0 FGADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)C1CCC(C)(C)CC1 ZINC000820519985 606690917 /nfs/dbraw/zinc/69/09/17/606690917.db2.gz YDWKGRCFWQMGLO-ZDUSSCGKSA-N -1 3 357.458 3.061 20 0 FGADHM O=C(Nc1cccc(-c2noc(C3CC3)n2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823363869 606693715 /nfs/dbraw/zinc/69/37/15/606693715.db2.gz PPDQIYPXXVDLCQ-UHFFFAOYSA-N -1 3 373.376 3.046 20 0 FGADHM O=C(Nc1cccc(-c2noc(C3CC3)n2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823363869 606693716 /nfs/dbraw/zinc/69/37/16/606693716.db2.gz PPDQIYPXXVDLCQ-UHFFFAOYSA-N -1 3 373.376 3.046 20 0 FGADHM CCc1oc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)cc1C ZINC000821558929 606727024 /nfs/dbraw/zinc/72/70/24/606727024.db2.gz LEOKNSWEWJLOHB-UHFFFAOYSA-N -1 3 363.324 3.184 20 0 FGADHM CCc1oc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)cc1C ZINC000821558929 606727025 /nfs/dbraw/zinc/72/70/25/606727025.db2.gz LEOKNSWEWJLOHB-UHFFFAOYSA-N -1 3 363.324 3.184 20 0 FGADHM C[C@@]1(c2ccccc2)CCN(c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)C1 ZINC000820635749 606728580 /nfs/dbraw/zinc/72/85/80/606728580.db2.gz MUKLCEYCYDYMKM-QGZVFWFLSA-N -1 3 374.370 3.449 20 0 FGADHM C[C@@]1(c2ccccc2)CCN(c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)C1 ZINC000820635749 606728582 /nfs/dbraw/zinc/72/85/82/606728582.db2.gz MUKLCEYCYDYMKM-QGZVFWFLSA-N -1 3 374.370 3.449 20 0 FGADHM CC[C@@H](OC1CCCCC1)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820939287 606733982 /nfs/dbraw/zinc/73/39/82/606733982.db2.gz SOMRVMXDPMZXQW-SUMWQHHRSA-N -1 3 357.458 3.172 20 0 FGADHM CC[C@@H](OC1CCCCC1)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820939287 606733984 /nfs/dbraw/zinc/73/39/84/606733984.db2.gz SOMRVMXDPMZXQW-SUMWQHHRSA-N -1 3 357.458 3.172 20 0 FGADHM CC(C)CC[C@H]1CCCCN1C(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000820072691 606746654 /nfs/dbraw/zinc/74/66/54/606746654.db2.gz KRKKPPMLYQYQET-MRXNPFEDSA-N -1 3 357.458 3.063 20 0 FGADHM CC[C@H]1CCC[C@H]1NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820981251 606764679 /nfs/dbraw/zinc/76/46/79/606764679.db2.gz PXHGYNLZXDKWNQ-TVQRCGJNSA-N -1 3 350.879 3.385 20 0 FGADHM CC[C@H]1CCC[C@H]1NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820981251 606764680 /nfs/dbraw/zinc/76/46/80/606764680.db2.gz PXHGYNLZXDKWNQ-TVQRCGJNSA-N -1 3 350.879 3.385 20 0 FGADHM Clc1ccc(-c2nnn[n-]2)c(OCc2nc(-c3ccsc3)no2)c1 ZINC000822573765 606781285 /nfs/dbraw/zinc/78/12/85/606781285.db2.gz HTOTXWBXAOENQC-UHFFFAOYSA-N -1 3 360.786 3.211 20 0 FGADHM Clc1ccc(-c2nn[n-]n2)c(OCc2nc(-c3ccsc3)no2)c1 ZINC000822573765 606781287 /nfs/dbraw/zinc/78/12/87/606781287.db2.gz HTOTXWBXAOENQC-UHFFFAOYSA-N -1 3 360.786 3.211 20 0 FGADHM Cc1cc(Oc2cc(Cl)ccc2-c2nnn[n-]2)nc(-c2cccnc2)n1 ZINC000822211498 606790043 /nfs/dbraw/zinc/79/00/43/606790043.db2.gz BHOPBEQFTAJDGA-UHFFFAOYSA-N -1 3 365.784 3.473 20 0 FGADHM Cc1cc(Oc2cc(Cl)ccc2-c2nn[n-]n2)nc(-c2cccnc2)n1 ZINC000822211498 606790045 /nfs/dbraw/zinc/79/00/45/606790045.db2.gz BHOPBEQFTAJDGA-UHFFFAOYSA-N -1 3 365.784 3.473 20 0 FGADHM CCC(CC)OC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000820897507 606801654 /nfs/dbraw/zinc/80/16/54/606801654.db2.gz HSRTVUIZWOUAQD-UHFFFAOYSA-N -1 3 353.382 3.399 20 0 FGADHM CCC(CC)OC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000820897507 606801656 /nfs/dbraw/zinc/80/16/56/606801656.db2.gz HSRTVUIZWOUAQD-UHFFFAOYSA-N -1 3 353.382 3.399 20 0 FGADHM CN(c1ccccc1NC(=O)c1cccc(-c2nnn[n-]2)c1)C1CCCC1 ZINC000821619082 606809549 /nfs/dbraw/zinc/80/95/49/606809549.db2.gz IWYSRKDDPOGXTN-UHFFFAOYSA-N -1 3 362.437 3.498 20 0 FGADHM CN(c1ccccc1NC(=O)c1cccc(-c2nn[n-]n2)c1)C1CCCC1 ZINC000821619082 606809550 /nfs/dbraw/zinc/80/95/50/606809550.db2.gz IWYSRKDDPOGXTN-UHFFFAOYSA-N -1 3 362.437 3.498 20 0 FGADHM CC(C)CC1(CNC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)CCC1 ZINC000820062188 606811771 /nfs/dbraw/zinc/81/17/71/606811771.db2.gz JAOXFNFDZXBITO-UHFFFAOYSA-N -1 3 373.526 3.433 20 0 FGADHM CC(C)CC1(CNC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)CCC1 ZINC000820062188 606811773 /nfs/dbraw/zinc/81/17/73/606811773.db2.gz JAOXFNFDZXBITO-UHFFFAOYSA-N -1 3 373.526 3.433 20 0 FGADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCCCC2)[C@@H]1CCSC1 ZINC000823387610 606812191 /nfs/dbraw/zinc/81/21/91/606812191.db2.gz QMPQMGLWZHMLFO-SNVBAGLBSA-N -1 3 363.512 3.279 20 0 FGADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCCCC2)[C@@H]1CCSC1 ZINC000823387610 606812193 /nfs/dbraw/zinc/81/21/93/606812193.db2.gz QMPQMGLWZHMLFO-SNVBAGLBSA-N -1 3 363.512 3.279 20 0 FGADHM CCCC[C@H](NC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1)C1CCC1 ZINC000821044272 606816635 /nfs/dbraw/zinc/81/66/35/606816635.db2.gz YKBOWTPDYORRCT-DYVFJYSZSA-N -1 3 357.458 3.109 20 0 FGADHM C[C@H](NC(=O)N1CCc2c1cccc2Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000820351673 606831072 /nfs/dbraw/zinc/83/10/72/606831072.db2.gz QTJBCVNPGINXCU-NSHDSACASA-N -1 3 368.828 3.353 20 0 FGADHM C[C@H](NC(=O)N1CCc2c1cccc2Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000820351673 606831073 /nfs/dbraw/zinc/83/10/73/606831073.db2.gz QTJBCVNPGINXCU-NSHDSACASA-N -1 3 368.828 3.353 20 0 FGADHM Cc1c2nc(NC(=O)c3ccc(-c4nnn[n-]4)cc3)sc2ccc1F ZINC000822035525 606833109 /nfs/dbraw/zinc/83/31/09/606833109.db2.gz WGLMHMYJSVCROB-UHFFFAOYSA-N -1 3 354.370 3.176 20 0 FGADHM Cc1c2nc(NC(=O)c3ccc(-c4nn[n-]n4)cc3)sc2ccc1F ZINC000822035525 606833110 /nfs/dbraw/zinc/83/31/10/606833110.db2.gz WGLMHMYJSVCROB-UHFFFAOYSA-N -1 3 354.370 3.176 20 0 FGADHM Cc1c2nc(NC(=O)Cc3ccc(-c4nnn[n-]4)cc3)sc2ccc1F ZINC000822035329 606833443 /nfs/dbraw/zinc/83/34/43/606833443.db2.gz SSQOOGWDIYCVOF-UHFFFAOYSA-N -1 3 368.397 3.105 20 0 FGADHM Cc1c2nc(NC(=O)Cc3ccc(-c4nn[n-]n4)cc3)sc2ccc1F ZINC000822035329 606833445 /nfs/dbraw/zinc/83/34/45/606833445.db2.gz SSQOOGWDIYCVOF-UHFFFAOYSA-N -1 3 368.397 3.105 20 0 FGADHM C[C@@H](O)CCc1ccc(OCCCOc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000820473962 606837232 /nfs/dbraw/zinc/83/72/32/606837232.db2.gz ORJBINLUBLNJLO-OAHLLOKOSA-N -1 3 368.437 3.028 20 0 FGADHM C[C@@H](O)CCc1ccc(OCCCOc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000820473962 606837234 /nfs/dbraw/zinc/83/72/34/606837234.db2.gz ORJBINLUBLNJLO-OAHLLOKOSA-N -1 3 368.437 3.028 20 0 FGADHM FC(F)n1ccnc1CSCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000822737265 606841107 /nfs/dbraw/zinc/84/11/07/606841107.db2.gz SFLNNKBTNHGOJC-UHFFFAOYSA-N -1 3 366.397 3.161 20 0 FGADHM FC(F)n1ccnc1CSCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000822737265 606841109 /nfs/dbraw/zinc/84/11/09/606841109.db2.gz SFLNNKBTNHGOJC-UHFFFAOYSA-N -1 3 366.397 3.161 20 0 FGADHM c1cn(C2CCCC2)nc1CSCCOc1ccccc1-c1nnn[n-]1 ZINC000823773523 606841875 /nfs/dbraw/zinc/84/18/75/606841875.db2.gz UKXUPXFHCWUAIS-UHFFFAOYSA-N -1 3 370.482 3.491 20 0 FGADHM c1cn(C2CCCC2)nc1CSCCOc1ccccc1-c1nn[n-]n1 ZINC000823773523 606841876 /nfs/dbraw/zinc/84/18/76/606841876.db2.gz UKXUPXFHCWUAIS-UHFFFAOYSA-N -1 3 370.482 3.491 20 0 FGADHM C[C@H](Sc1ccc(-c2nnn[n-]2)cc1Cl)C(=O)NCc1ccccc1 ZINC000820550189 606851040 /nfs/dbraw/zinc/85/10/40/606851040.db2.gz VMLKSWRPOUPUKN-NSHDSACASA-N -1 3 373.869 3.317 20 0 FGADHM C[C@H](Sc1ccc(-c2nn[n-]n2)cc1Cl)C(=O)NCc1ccccc1 ZINC000820550189 606851041 /nfs/dbraw/zinc/85/10/41/606851041.db2.gz VMLKSWRPOUPUKN-NSHDSACASA-N -1 3 373.869 3.317 20 0 FGADHM Cc1ccccc1CNC(=O)CSc1ccc(-c2nnn[n-]2)cc1Cl ZINC000822362526 606851657 /nfs/dbraw/zinc/85/16/57/606851657.db2.gz XMSQOOIJBKFUBB-UHFFFAOYSA-N -1 3 373.869 3.237 20 0 FGADHM Cc1ccccc1CNC(=O)CSc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822362526 606851658 /nfs/dbraw/zinc/85/16/58/606851658.db2.gz XMSQOOIJBKFUBB-UHFFFAOYSA-N -1 3 373.869 3.237 20 0 FGADHM C[C@H]1CCCCN1C(=O)CSc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820703703 606851723 /nfs/dbraw/zinc/85/17/23/606851723.db2.gz JSRYNHMPDUSAGO-JTQLQIEISA-N -1 3 351.863 3.013 20 0 FGADHM C[C@H]1CCCCN1C(=O)CSc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820703703 606851724 /nfs/dbraw/zinc/85/17/24/606851724.db2.gz JSRYNHMPDUSAGO-JTQLQIEISA-N -1 3 351.863 3.013 20 0 FGADHM CC(=O)Nc1ccc(C)c(NCCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000819817722 606863309 /nfs/dbraw/zinc/86/33/09/606863309.db2.gz KOYQPCUWDXIRMU-UHFFFAOYSA-N -1 3 366.425 3.015 20 0 FGADHM CC(=O)Nc1ccc(C)c(NCCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC000819817722 606863310 /nfs/dbraw/zinc/86/33/10/606863310.db2.gz KOYQPCUWDXIRMU-UHFFFAOYSA-N -1 3 366.425 3.015 20 0 FGADHM C[C@@H](NC(=O)N1CC(C)(C)c2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000820340006 606863931 /nfs/dbraw/zinc/86/39/31/606863931.db2.gz IIEKBIVRDYXMPX-CYBMUJFWSA-N -1 3 362.437 3.435 20 0 FGADHM C[C@@H](NC(=O)N1CC(C)(C)c2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000820340006 606863933 /nfs/dbraw/zinc/86/39/33/606863933.db2.gz IIEKBIVRDYXMPX-CYBMUJFWSA-N -1 3 362.437 3.435 20 0 FGADHM C[C@H]1CC[C@H](C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)cc2)O1 ZINC000820675695 606871688 /nfs/dbraw/zinc/87/16/88/606871688.db2.gz KHIJKHVTZVPDHU-YVEFUNNKSA-N -1 3 365.393 3.165 20 0 FGADHM C[C@H]1CC[C@H](C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)cc2)O1 ZINC000820675695 606871690 /nfs/dbraw/zinc/87/16/90/606871690.db2.gz KHIJKHVTZVPDHU-YVEFUNNKSA-N -1 3 365.393 3.165 20 0 FGADHM O=C(N[C@@H]1CC2(CCC2)Oc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000823146895 606879630 /nfs/dbraw/zinc/87/96/30/606879630.db2.gz ZQODARMQXYFGBS-MRXNPFEDSA-N -1 3 361.405 3.043 20 0 FGADHM O=C(N[C@@H]1CC2(CCC2)Oc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000823146895 606879631 /nfs/dbraw/zinc/87/96/31/606879631.db2.gz ZQODARMQXYFGBS-MRXNPFEDSA-N -1 3 361.405 3.043 20 0 FGADHM CCOCCC1(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)CCCC1 ZINC000821373065 606914913 /nfs/dbraw/zinc/91/49/13/606914913.db2.gz CSPLREJGLRGQHS-CQSZACIVSA-N -1 3 357.458 3.031 20 0 FGADHM CCOCCC1(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)CCCC1 ZINC000821373065 606914914 /nfs/dbraw/zinc/91/49/14/606914914.db2.gz CSPLREJGLRGQHS-CQSZACIVSA-N -1 3 357.458 3.031 20 0 FGADHM C[C@@H](c1ccccc1)n1ccc(NCc2cc(-c3nnn[n-]3)cs2)n1 ZINC000820571477 606918634 /nfs/dbraw/zinc/91/86/34/606918634.db2.gz ZFRCXSXDBNEJCK-LBPRGKRZSA-N -1 3 351.439 3.346 20 0 FGADHM C[C@@H](c1ccccc1)n1ccc(NCc2cc(-c3nn[n-]n3)cs2)n1 ZINC000820571477 606918635 /nfs/dbraw/zinc/91/86/35/606918635.db2.gz ZFRCXSXDBNEJCK-LBPRGKRZSA-N -1 3 351.439 3.346 20 0 FGADHM CC(C)c1ccc(N(C)C(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000820536641 606936423 /nfs/dbraw/zinc/93/64/23/606936423.db2.gz VZNWNAOVVSVCGX-CQSZACIVSA-N -1 3 365.437 3.420 20 0 FGADHM CC(C)c1ccc(N(C)C(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000820536641 606936426 /nfs/dbraw/zinc/93/64/26/606936426.db2.gz VZNWNAOVVSVCGX-CQSZACIVSA-N -1 3 365.437 3.420 20 0 FGADHM c1ccc(-c2nnc3ccc(Sc4cccc(-c5nnn[n-]5)c4)nn32)cc1 ZINC000823767593 606945617 /nfs/dbraw/zinc/94/56/17/606945617.db2.gz UVHMUKMLIRCSSU-UHFFFAOYSA-N -1 3 372.417 3.123 20 0 FGADHM c1ccc(-c2nnc3ccc(Sc4cccc(-c5nn[n-]n5)c4)nn32)cc1 ZINC000823767593 606945618 /nfs/dbraw/zinc/94/56/18/606945618.db2.gz UVHMUKMLIRCSSU-UHFFFAOYSA-N -1 3 372.417 3.123 20 0 FGADHM Cc1cc(C(=O)OCCCOc2cccc(-c3nnn[n-]3)c2)c(F)cc1F ZINC000822184593 606950371 /nfs/dbraw/zinc/95/03/71/606950371.db2.gz XMPYBRCSGNIQET-UHFFFAOYSA-N -1 3 374.347 3.079 20 0 FGADHM Cc1cc(C(=O)OCCCOc2cccc(-c3nn[n-]n3)c2)c(F)cc1F ZINC000822184593 606950373 /nfs/dbraw/zinc/95/03/73/606950373.db2.gz XMPYBRCSGNIQET-UHFFFAOYSA-N -1 3 374.347 3.079 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)c1cccc(Cl)c1F ZINC000823426227 606955032 /nfs/dbraw/zinc/95/50/32/606955032.db2.gz DTEVPBKMUUQCHM-UHFFFAOYSA-N -1 3 350.712 3.155 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)c1cccc(Cl)c1F ZINC000823426227 606955033 /nfs/dbraw/zinc/95/50/33/606955033.db2.gz DTEVPBKMUUQCHM-UHFFFAOYSA-N -1 3 350.712 3.155 20 0 FGADHM CC(C)COc1ccc([C@H](C)NC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000820102661 606957076 /nfs/dbraw/zinc/95/70/76/606957076.db2.gz FYWAWNMTVQOSLQ-AWEZNQCLSA-N -1 3 365.437 3.393 20 0 FGADHM CC(C)COc1ccc([C@H](C)NC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000820102661 606957078 /nfs/dbraw/zinc/95/70/78/606957078.db2.gz FYWAWNMTVQOSLQ-AWEZNQCLSA-N -1 3 365.437 3.393 20 0 FGADHM C[C@H](Cc1ccccc1)C(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000820300357 606960227 /nfs/dbraw/zinc/96/02/27/606960227.db2.gz QIAYFHBWEDWMRY-GFCCVEGCSA-N -1 3 355.829 3.362 20 0 FGADHM C[C@H](Cc1ccccc1)C(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000820300357 606960229 /nfs/dbraw/zinc/96/02/29/606960229.db2.gz QIAYFHBWEDWMRY-GFCCVEGCSA-N -1 3 355.829 3.362 20 0 FGADHM CN(C(=O)CCOCc1ccccc1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821569634 606960884 /nfs/dbraw/zinc/96/08/84/606960884.db2.gz QFFXLEDQAQRMDM-UHFFFAOYSA-N -1 3 371.828 3.090 20 0 FGADHM CN(C(=O)CCOCc1ccccc1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821569634 606960886 /nfs/dbraw/zinc/96/08/86/606960886.db2.gz QFFXLEDQAQRMDM-UHFFFAOYSA-N -1 3 371.828 3.090 20 0 FGADHM Cc1ccc2[nH]c3c(c2c1)CN(Cc1ccc(F)c(-c2nnn[n-]2)c1)CC3 ZINC000822274665 606970111 /nfs/dbraw/zinc/97/01/11/606970111.db2.gz FAUMMLFWQASZRZ-UHFFFAOYSA-N -1 3 362.412 3.354 20 0 FGADHM Cc1ccc2[nH]c3c(c2c1)CN(Cc1ccc(F)c(-c2nn[n-]n2)c1)CC3 ZINC000822274665 606970112 /nfs/dbraw/zinc/97/01/12/606970112.db2.gz FAUMMLFWQASZRZ-UHFFFAOYSA-N -1 3 362.412 3.354 20 0 FGADHM C[C@H]1CCc2sc(C(=O)N(C)c3ccccc3-c3nnn[n-]3)cc2C1 ZINC000820733873 606974331 /nfs/dbraw/zinc/97/43/31/606974331.db2.gz JQTYWLNEKVEKEM-NSHDSACASA-N -1 3 353.451 3.330 20 0 FGADHM C[C@H]1CCc2sc(C(=O)N(C)c3ccccc3-c3nn[n-]n3)cc2C1 ZINC000820733873 606974333 /nfs/dbraw/zinc/97/43/33/606974333.db2.gz JQTYWLNEKVEKEM-NSHDSACASA-N -1 3 353.451 3.330 20 0 FGADHM Cc1ccc(NC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000822242700 606977636 /nfs/dbraw/zinc/97/76/36/606977636.db2.gz UWBMFMNOCNFORO-UHFFFAOYSA-N -1 3 351.410 3.280 20 0 FGADHM Cc1ccc(NC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000822242700 606977638 /nfs/dbraw/zinc/97/76/38/606977638.db2.gz UWBMFMNOCNFORO-UHFFFAOYSA-N -1 3 351.410 3.280 20 0 FGADHM Cc1coc(-c2cccc(NC(=O)Cc3ccc(-c4nnn[n-]4)cc3)c2)n1 ZINC000822402497 606989103 /nfs/dbraw/zinc/98/91/03/606989103.db2.gz BONMAOHGYYBNLJ-UHFFFAOYSA-N -1 3 360.377 3.011 20 0 FGADHM Cc1coc(-c2cccc(NC(=O)Cc3ccc(-c4nn[n-]n4)cc3)c2)n1 ZINC000822402497 606989104 /nfs/dbraw/zinc/98/91/04/606989104.db2.gz BONMAOHGYYBNLJ-UHFFFAOYSA-N -1 3 360.377 3.011 20 0 FGADHM Cc1coc(-c2cccc(NC(=O)c3sccc3-c3nnn[n-]3)c2)n1 ZINC000822403476 606989245 /nfs/dbraw/zinc/98/92/45/606989245.db2.gz OUVYEURQLASTGO-UHFFFAOYSA-N -1 3 352.379 3.144 20 0 FGADHM Cc1coc(-c2cccc(NC(=O)c3sccc3-c3nn[n-]n3)c2)n1 ZINC000822403476 606989247 /nfs/dbraw/zinc/98/92/47/606989247.db2.gz OUVYEURQLASTGO-UHFFFAOYSA-N -1 3 352.379 3.144 20 0 FGADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc2ccccc2n1 ZINC000820001390 606997888 /nfs/dbraw/zinc/99/78/88/606997888.db2.gz KQOUYGIXMXNSDW-UHFFFAOYSA-N -1 3 374.404 3.211 20 0 FGADHM CCN(C(=O)c1cccc(C(C)=O)c1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821160508 607000767 /nfs/dbraw/zinc/00/07/67/607000767.db2.gz MCVVVUZLGOCWGH-ZDUSSCGKSA-N -1 3 363.421 3.293 20 0 FGADHM CCN(C(=O)c1cccc(C(C)=O)c1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821160508 607000769 /nfs/dbraw/zinc/00/07/69/607000769.db2.gz MCVVVUZLGOCWGH-ZDUSSCGKSA-N -1 3 363.421 3.293 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000823422339 607000794 /nfs/dbraw/zinc/00/07/94/607000794.db2.gz QYICBWLIPCVRLE-QWRGUYRKSA-N -1 3 374.322 3.131 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000823422339 607000796 /nfs/dbraw/zinc/00/07/96/607000796.db2.gz QYICBWLIPCVRLE-QWRGUYRKSA-N -1 3 374.322 3.131 20 0 FGADHM CN(C(=O)c1ccc(-c2ccco2)s1)c1cccc(-c2nnn[n-]2)c1 ZINC000821573575 607002813 /nfs/dbraw/zinc/00/28/13/607002813.db2.gz WCSANWTWICEUDI-UHFFFAOYSA-N -1 3 351.391 3.465 20 0 FGADHM CN(C(=O)c1ccc(-c2ccco2)s1)c1cccc(-c2nn[n-]n2)c1 ZINC000821573575 607002815 /nfs/dbraw/zinc/00/28/15/607002815.db2.gz WCSANWTWICEUDI-UHFFFAOYSA-N -1 3 351.391 3.465 20 0 FGADHM Fc1ccc(CSc2nnc(-c3ccccc3)o2)cc1-c1nnn[n-]1 ZINC000822773940 607005362 /nfs/dbraw/zinc/00/53/62/607005362.db2.gz BUQQRAHGBDDHSD-UHFFFAOYSA-N -1 3 354.370 3.348 20 0 FGADHM Fc1ccc(CSc2nnc(-c3ccccc3)o2)cc1-c1nn[n-]n1 ZINC000822773940 607005364 /nfs/dbraw/zinc/00/53/64/607005364.db2.gz BUQQRAHGBDDHSD-UHFFFAOYSA-N -1 3 354.370 3.348 20 0 FGADHM Cc1nnc(SCc2ccc(F)c(-c3nnn[n-]3)c2)n1-c1ccccc1 ZINC000822514785 607007611 /nfs/dbraw/zinc/00/76/11/607007611.db2.gz IGOKMWZAZJXWHZ-UHFFFAOYSA-N -1 3 367.413 3.187 20 0 FGADHM Cc1nnc(SCc2ccc(F)c(-c3nn[n-]n3)c2)n1-c1ccccc1 ZINC000822514785 607007612 /nfs/dbraw/zinc/00/76/12/607007612.db2.gz IGOKMWZAZJXWHZ-UHFFFAOYSA-N -1 3 367.413 3.187 20 0 FGADHM CC(C)[C@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)NC1CCCCC1 ZINC000820032630 607014508 /nfs/dbraw/zinc/01/45/08/607014508.db2.gz PDTCHNXVOJABCV-INIZCTEOSA-N -1 3 359.499 3.432 20 0 FGADHM CC(C)[C@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)NC1CCCCC1 ZINC000820032630 607014510 /nfs/dbraw/zinc/01/45/10/607014510.db2.gz PDTCHNXVOJABCV-INIZCTEOSA-N -1 3 359.499 3.432 20 0 FGADHM C[C@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000820557296 607017061 /nfs/dbraw/zinc/01/70/61/607017061.db2.gz XXENZIOGAALERF-NFFDBFGFSA-N -1 3 359.499 3.288 20 0 FGADHM C[C@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000820557296 607017062 /nfs/dbraw/zinc/01/70/62/607017062.db2.gz XXENZIOGAALERF-NFFDBFGFSA-N -1 3 359.499 3.288 20 0 FGADHM C[C@H]1CC[C@@H](CC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)C1 ZINC000820683433 607036373 /nfs/dbraw/zinc/03/63/73/607036373.db2.gz BAQBAIFULGBKFM-VHSXEESVSA-N -1 3 351.357 3.233 20 0 FGADHM C[C@H]1CC[C@@H](CC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)C1 ZINC000820683433 607036374 /nfs/dbraw/zinc/03/63/74/607036374.db2.gz BAQBAIFULGBKFM-VHSXEESVSA-N -1 3 351.357 3.233 20 0 FGADHM Fc1ccc(-c2nnn[n-]2)c(COc2nc(-c3ccccc3Cl)no2)c1 ZINC000822758874 607040530 /nfs/dbraw/zinc/04/05/30/607040530.db2.gz ZXVCPXDJASNPME-UHFFFAOYSA-N -1 3 372.747 3.288 20 0 FGADHM Fc1ccc(-c2nn[n-]n2)c(COc2nc(-c3ccccc3Cl)no2)c1 ZINC000822758874 607040531 /nfs/dbraw/zinc/04/05/31/607040531.db2.gz ZXVCPXDJASNPME-UHFFFAOYSA-N -1 3 372.747 3.288 20 0 FGADHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCC2(C1)CCCCC2 ZINC000819991869 607045886 /nfs/dbraw/zinc/04/58/86/607045886.db2.gz NAQNISIMYJAKMI-UHFFFAOYSA-N -1 3 369.469 3.207 20 0 FGADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCC2(C1)CCCCC2 ZINC000819991869 607045887 /nfs/dbraw/zinc/04/58/87/607045887.db2.gz NAQNISIMYJAKMI-UHFFFAOYSA-N -1 3 369.469 3.207 20 0 FGADHM Cc1cccc(C)c1CCNC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000822293736 607050044 /nfs/dbraw/zinc/05/00/44/607050044.db2.gz JTZXMVXVPNDPHG-OAHLLOKOSA-N -1 3 364.453 3.086 20 0 FGADHM Cc1cccc(C)c1CCNC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000822293736 607050046 /nfs/dbraw/zinc/05/00/46/607050046.db2.gz JTZXMVXVPNDPHG-OAHLLOKOSA-N -1 3 364.453 3.086 20 0 FGADHM Cc1c2cc(C)ccc2[nH]c1C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822270980 607051838 /nfs/dbraw/zinc/05/18/38/607051838.db2.gz GTSGDXSXMANZOI-ZDUSSCGKSA-N -1 3 360.421 3.456 20 0 FGADHM Cc1c2cc(C)ccc2[nH]c1C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822270980 607051839 /nfs/dbraw/zinc/05/18/39/607051839.db2.gz GTSGDXSXMANZOI-ZDUSSCGKSA-N -1 3 360.421 3.456 20 0 FGADHM CCOc1cc(Cl)ccc1NC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000821395542 607054062 /nfs/dbraw/zinc/05/40/62/607054062.db2.gz ZAZKGPIXDXSDTR-UHFFFAOYSA-N -1 3 371.828 3.490 20 0 FGADHM CCOc1cc(Cl)ccc1NC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000821395542 607054065 /nfs/dbraw/zinc/05/40/65/607054065.db2.gz ZAZKGPIXDXSDTR-UHFFFAOYSA-N -1 3 371.828 3.490 20 0 FGADHM Fc1ccc2c(c1)[C@H](NCc1ccc(-c3nn[n-]n3)cc1F)CCCO2 ZINC000822782896 607058212 /nfs/dbraw/zinc/05/82/12/607058212.db2.gz LCSZWJVVOYIZDL-MRXNPFEDSA-N -1 3 357.364 3.148 20 0 FGADHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)OC/C=C/c1ccccc1 ZINC000820001599 607077320 /nfs/dbraw/zinc/07/73/20/607077320.db2.gz UMQWXRVKVMAWJS-RMKNXTFCSA-N -1 3 364.405 3.281 20 0 FGADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OC/C=C/c1ccccc1 ZINC000820001599 607077322 /nfs/dbraw/zinc/07/73/22/607077322.db2.gz UMQWXRVKVMAWJS-RMKNXTFCSA-N -1 3 364.405 3.281 20 0 FGADHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)c1cnc(Cl)c(Cl)c1 ZINC000823418009 607078652 /nfs/dbraw/zinc/07/86/52/607078652.db2.gz NGUQEGLLYHLRKQ-UHFFFAOYSA-N -1 3 368.155 3.065 20 0 FGADHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)c1cnc(Cl)c(Cl)c1 ZINC000823418009 607078654 /nfs/dbraw/zinc/07/86/54/607078654.db2.gz NGUQEGLLYHLRKQ-UHFFFAOYSA-N -1 3 368.155 3.065 20 0 FGADHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)c1cc(-c2ccccc2)no1 ZINC000823413861 607079792 /nfs/dbraw/zinc/07/97/92/607079792.db2.gz OPAJHGIFOGRISV-UHFFFAOYSA-N -1 3 365.324 3.018 20 0 FGADHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)c1cc(-c2ccccc2)no1 ZINC000823413861 607079794 /nfs/dbraw/zinc/07/97/94/607079794.db2.gz OPAJHGIFOGRISV-UHFFFAOYSA-N -1 3 365.324 3.018 20 0 FGADHM COc1ccccc1[C@@H](C)CC(=O)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000821882549 607082692 /nfs/dbraw/zinc/08/26/92/607082692.db2.gz DKAIJTBRBGGZBY-LBPRGKRZSA-N -1 3 370.384 3.251 20 0 FGADHM COc1ccccc1[C@@H](C)CC(=O)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000821882549 607082694 /nfs/dbraw/zinc/08/26/94/607082694.db2.gz DKAIJTBRBGGZBY-LBPRGKRZSA-N -1 3 370.384 3.251 20 0 FGADHM O=C(C[C@H]1CCOc2ccccc21)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000822946179 607084504 /nfs/dbraw/zinc/08/45/04/607084504.db2.gz WPCNNDVUNBDKDK-GFCCVEGCSA-N -1 3 368.368 3.005 20 0 FGADHM O=C(C[C@H]1CCOc2ccccc21)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000822946179 607084506 /nfs/dbraw/zinc/08/45/06/607084506.db2.gz WPCNNDVUNBDKDK-GFCCVEGCSA-N -1 3 368.368 3.005 20 0 FGADHM CC(=Cc1ccc(F)cc1)C(=O)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000819773971 607085037 /nfs/dbraw/zinc/08/50/37/607085037.db2.gz YYCWAHZTWRFGRR-FLIBITNWSA-N -1 3 356.332 3.292 20 0 FGADHM CC(=Cc1ccc(F)cc1)C(=O)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000819773971 607085039 /nfs/dbraw/zinc/08/50/39/607085039.db2.gz YYCWAHZTWRFGRR-FLIBITNWSA-N -1 3 356.332 3.292 20 0 FGADHM CC(=Cc1ccc(F)cc1)C(=O)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000819773970 607085128 /nfs/dbraw/zinc/08/51/28/607085128.db2.gz YYCWAHZTWRFGRR-DHZHZOJOSA-N -1 3 356.332 3.292 20 0 FGADHM CC(=Cc1ccc(F)cc1)C(=O)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000819773970 607085130 /nfs/dbraw/zinc/08/51/30/607085130.db2.gz YYCWAHZTWRFGRR-DHZHZOJOSA-N -1 3 356.332 3.292 20 0 FGADHM CC1(C)C[C@H](NC(=O)c2sccc2-c2nnn[n-]2)c2ccc(F)cc2O1 ZINC000820589531 607099152 /nfs/dbraw/zinc/09/91/52/607099152.db2.gz HLBMXCNMPUIOIU-LBPRGKRZSA-N -1 3 373.413 3.100 20 0 FGADHM CC1(C)C[C@H](NC(=O)c2sccc2-c2nn[n-]n2)c2ccc(F)cc2O1 ZINC000820589531 607099153 /nfs/dbraw/zinc/09/91/53/607099153.db2.gz HLBMXCNMPUIOIU-LBPRGKRZSA-N -1 3 373.413 3.100 20 0 FGADHM Cc1ccccc1COC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000822361506 607118928 /nfs/dbraw/zinc/11/89/28/607118928.db2.gz CWSVPTKKEFJVQO-UHFFFAOYSA-N -1 3 352.394 3.076 20 0 FGADHM Cc1ccccc1COC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000822361506 607118930 /nfs/dbraw/zinc/11/89/30/607118930.db2.gz CWSVPTKKEFJVQO-UHFFFAOYSA-N -1 3 352.394 3.076 20 0 FGADHM C[C@H]1CN(Cc2ccc(-c3nnn[n-]3)cc2F)C[C@@H](c2ccsc2)O1 ZINC000820759355 607122900 /nfs/dbraw/zinc/12/29/00/607122900.db2.gz JSSDIOYQUIYFFS-ZBEGNZNMSA-N -1 3 359.430 3.029 20 0 FGADHM C[C@H]1CN(Cc2ccc(-c3nn[n-]n3)cc2F)C[C@@H](c2ccsc2)O1 ZINC000820759355 607122902 /nfs/dbraw/zinc/12/29/02/607122902.db2.gz JSSDIOYQUIYFFS-ZBEGNZNMSA-N -1 3 359.430 3.029 20 0 FGADHM O=C(CNc1ccc(-c2nn[n-]n2)cc1Cl)N1CCC[C@H]2CCCC[C@H]21 ZINC000823014125 607125220 /nfs/dbraw/zinc/12/52/20/607125220.db2.gz GVANTAHKASNAOX-MLGOLLRUSA-N -1 3 374.876 3.113 20 0 FGADHM Clc1cc(-c2nn[n-]n2)ccc1NCc1noc(-c2cccs2)n1 ZINC000822563921 607125238 /nfs/dbraw/zinc/12/52/38/607125238.db2.gz PXGBCEZQBMLDGV-UHFFFAOYSA-N -1 3 359.802 3.244 20 0 FGADHM O=C(CNc1ccc(-c2nn[n-]n2)cc1Cl)Nc1ccccc1Cl ZINC000823013913 607126760 /nfs/dbraw/zinc/12/67/60/607126760.db2.gz AYQBOXBSVZPNDV-UHFFFAOYSA-N -1 3 363.208 3.224 20 0 FGADHM Cc1cc(C(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)c(Cl)cc1F ZINC000822184690 607134931 /nfs/dbraw/zinc/13/49/31/607134931.db2.gz ZLLBICQEHYFDJP-UHFFFAOYSA-N -1 3 364.739 3.464 20 0 FGADHM Cc1cc(C(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)c(Cl)cc1F ZINC000822184690 607134933 /nfs/dbraw/zinc/13/49/33/607134933.db2.gz ZLLBICQEHYFDJP-UHFFFAOYSA-N -1 3 364.739 3.464 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1OCc1ccc(Br)s1 ZINC000822747969 607138217 /nfs/dbraw/zinc/13/82/17/607138217.db2.gz ANTSDWNQEKZFMY-UHFFFAOYSA-N -1 3 355.192 3.409 20 0 FGADHM Fc1cc(-c2nnn[n-]2)ccc1OCc1ccc(Br)s1 ZINC000822747969 607138216 /nfs/dbraw/zinc/13/82/16/607138216.db2.gz ANTSDWNQEKZFMY-UHFFFAOYSA-N -1 3 355.192 3.409 20 0 FGADHM C[C@H](COc1ccccc1)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820294523 607149496 /nfs/dbraw/zinc/14/94/96/607149496.db2.gz UGWHTUDBZFAARG-LLVKDONJSA-N -1 3 357.801 3.174 20 0 FGADHM C[C@H](COc1ccccc1)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820294523 607149498 /nfs/dbraw/zinc/14/94/98/607149498.db2.gz UGWHTUDBZFAARG-LLVKDONJSA-N -1 3 357.801 3.174 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@@H](CC)OC1CCCCC1 ZINC000821389354 607150253 /nfs/dbraw/zinc/15/02/53/607150253.db2.gz JUBASILPEHLIDA-OAHLLOKOSA-N -1 3 374.441 3.299 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@@H](CC)OC1CCCCC1 ZINC000821389354 607150254 /nfs/dbraw/zinc/15/02/54/607150254.db2.gz JUBASILPEHLIDA-OAHLLOKOSA-N -1 3 374.441 3.299 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)c1ccc2sccc2c1 ZINC000821699582 607150976 /nfs/dbraw/zinc/15/09/76/607150976.db2.gz VOKSHTGWRFFQGL-UHFFFAOYSA-N -1 3 352.375 3.309 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)c1ccc2sccc2c1 ZINC000821699582 607150978 /nfs/dbraw/zinc/15/09/78/607150978.db2.gz VOKSHTGWRFFQGL-UHFFFAOYSA-N -1 3 352.375 3.309 20 0 FGADHM CC[C@@H](OC1CCCCC1)C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820939045 607151993 /nfs/dbraw/zinc/15/19/93/607151993.db2.gz PFHWPEMMWMVDKR-SUMWQHHRSA-N -1 3 357.458 3.172 20 0 FGADHM CC[C@@H](OC1CCCCC1)C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820939045 607151994 /nfs/dbraw/zinc/15/19/94/607151994.db2.gz PFHWPEMMWMVDKR-SUMWQHHRSA-N -1 3 357.458 3.172 20 0 FGADHM Cc1cc(Oc2ncccc2-c2nnn[n-]2)ccc1NC(=O)C1=CCCC1 ZINC000822211860 607155392 /nfs/dbraw/zinc/15/53/92/607155392.db2.gz QVYMHHCQWZPFKO-UHFFFAOYSA-N -1 3 362.393 3.411 20 0 FGADHM C[C@@H](Sc1ccc(-c2nnn[n-]2)cc1F)c1cn(-c2ccccc2)nn1 ZINC000820548501 607156726 /nfs/dbraw/zinc/15/67/26/607156726.db2.gz AWQNINKOMRGQSY-LLVKDONJSA-N -1 3 367.413 3.440 20 0 FGADHM C[C@@H](Sc1ccc(-c2nn[n-]n2)cc1F)c1cn(-c2ccccc2)nn1 ZINC000820548501 607156728 /nfs/dbraw/zinc/15/67/28/607156728.db2.gz AWQNINKOMRGQSY-LLVKDONJSA-N -1 3 367.413 3.440 20 0 FGADHM Cc1cc(OC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)ccc1F ZINC000822210496 607158375 /nfs/dbraw/zinc/15/83/75/607158375.db2.gz FAIYFKWDPAIZKD-UHFFFAOYSA-N -1 3 358.398 3.153 20 0 FGADHM Cc1cc(OC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)ccc1F ZINC000822210496 607158376 /nfs/dbraw/zinc/15/83/76/607158376.db2.gz FAIYFKWDPAIZKD-UHFFFAOYSA-N -1 3 358.398 3.153 20 0 FGADHM CCS[C@@H](C)c1noc(CSc2ccc(-c3nnn[n-]3)cc2F)n1 ZINC000821447030 607168555 /nfs/dbraw/zinc/16/85/55/607168555.db2.gz HDSFSGYEZYGKNL-QMMMGPOBSA-N -1 3 366.447 3.495 20 0 FGADHM CCS[C@@H](C)c1noc(CSc2ccc(-c3nn[n-]n3)cc2F)n1 ZINC000821447030 607168557 /nfs/dbraw/zinc/16/85/57/607168557.db2.gz HDSFSGYEZYGKNL-QMMMGPOBSA-N -1 3 366.447 3.495 20 0 FGADHM O=C(CCc1cccc(F)c1F)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000822982355 607189441 /nfs/dbraw/zinc/18/94/41/607189441.db2.gz DRYFRHKNTWEHHR-UHFFFAOYSA-N -1 3 363.755 3.370 20 0 FGADHM O=C(CCc1cccc(F)c1F)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822982355 607189442 /nfs/dbraw/zinc/18/94/42/607189442.db2.gz DRYFRHKNTWEHHR-UHFFFAOYSA-N -1 3 363.755 3.370 20 0 FGADHM COc1cccc([C@H]2C[C@@H]2C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000821864300 607190647 /nfs/dbraw/zinc/19/06/47/607190647.db2.gz WDADGEGSLOHMHN-KGLIPLIRSA-N -1 3 369.812 3.271 20 0 FGADHM COc1cccc([C@H]2C[C@@H]2C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000821864300 607190648 /nfs/dbraw/zinc/19/06/48/607190648.db2.gz WDADGEGSLOHMHN-KGLIPLIRSA-N -1 3 369.812 3.271 20 0 FGADHM C[C@@H](CNc1ccccc1)NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820281149 607195389 /nfs/dbraw/zinc/19/53/89/607195389.db2.gz SGZLGIGJPJFHFV-NSHDSACASA-N -1 3 371.832 3.142 20 0 FGADHM C[C@@H](CNc1ccccc1)NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820281149 607195390 /nfs/dbraw/zinc/19/53/90/607195390.db2.gz SGZLGIGJPJFHFV-NSHDSACASA-N -1 3 371.832 3.142 20 0 FGADHM COc1ccc(CN(C)C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000821794734 607195688 /nfs/dbraw/zinc/19/56/88/607195688.db2.gz LLDQVRVPTXYHRW-UHFFFAOYSA-N -1 3 372.816 3.193 20 0 FGADHM COc1ccc(CN(C)C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000821794734 607195689 /nfs/dbraw/zinc/19/56/89/607195689.db2.gz LLDQVRVPTXYHRW-UHFFFAOYSA-N -1 3 372.816 3.193 20 0 FGADHM COC[C@H](NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)c1ccccc1 ZINC000821683672 607202628 /nfs/dbraw/zinc/20/26/28/607202628.db2.gz HJBWLMJLKSZOBA-HNNXBMFYSA-N -1 3 372.816 3.029 20 0 FGADHM COC[C@H](NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)c1ccccc1 ZINC000821683672 607202629 /nfs/dbraw/zinc/20/26/29/607202629.db2.gz HJBWLMJLKSZOBA-HNNXBMFYSA-N -1 3 372.816 3.029 20 0 FGADHM O=C(Nc1ccc2ccccc2c1)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000823356008 607231816 /nfs/dbraw/zinc/23/18/16/607231816.db2.gz HZGCHGJKHRUGIM-UHFFFAOYSA-N -1 3 350.769 3.321 20 0 FGADHM O=C(Nc1ccc2ccccc2c1)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000823356008 607231817 /nfs/dbraw/zinc/23/18/17/607231817.db2.gz HZGCHGJKHRUGIM-UHFFFAOYSA-N -1 3 350.769 3.321 20 0 FGADHM CCc1c(C)sc(NC(=O)Cc2nc(C)sc2C)c1-c1nnn[n-]1 ZINC000821465965 607238040 /nfs/dbraw/zinc/23/80/40/607238040.db2.gz RZQRIPGEGXTPFI-UHFFFAOYSA-N -1 3 362.484 3.054 20 0 FGADHM CCc1c(C)sc(NC(=O)Cc2nc(C)sc2C)c1-c1nn[n-]n1 ZINC000821465965 607238041 /nfs/dbraw/zinc/23/80/41/607238041.db2.gz RZQRIPGEGXTPFI-UHFFFAOYSA-N -1 3 362.484 3.054 20 0 FGADHM C[C@H]1CCC[C@H](C)N(C(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820690256 607238894 /nfs/dbraw/zinc/23/88/94/607238894.db2.gz IGWDNKKHZHVHPL-KBPBESRZSA-N -1 3 357.458 3.061 20 0 FGADHM C[C@H]1CCC[C@H](C)N(C(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820690256 607238895 /nfs/dbraw/zinc/23/88/95/607238895.db2.gz IGWDNKKHZHVHPL-KBPBESRZSA-N -1 3 357.458 3.061 20 0 FGADHM O=C(Cc1cccc(C(F)(F)F)c1)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000823111723 607244898 /nfs/dbraw/zinc/24/48/98/607244898.db2.gz LUBVCQZSUINFGL-UHFFFAOYSA-N -1 3 366.274 3.173 20 0 FGADHM O=C(Cc1cccc(C(F)(F)F)c1)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000823111723 607244899 /nfs/dbraw/zinc/24/48/99/607244899.db2.gz LUBVCQZSUINFGL-UHFFFAOYSA-N -1 3 366.274 3.173 20 0 FGADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)[C@H]1SCCc2sccc21 ZINC000823450221 607248397 /nfs/dbraw/zinc/24/83/97/607248397.db2.gz KLFJAJBJXNUOAJ-ZDUSSCGKSA-N -1 3 362.411 3.003 20 0 FGADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)[C@H]1SCCc2sccc21 ZINC000823450221 607248398 /nfs/dbraw/zinc/24/83/98/607248398.db2.gz KLFJAJBJXNUOAJ-ZDUSSCGKSA-N -1 3 362.411 3.003 20 0 FGADHM COc1ccccc1CC(C)(C)C(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000821890358 607249543 /nfs/dbraw/zinc/24/95/43/607249543.db2.gz MNTPMSZOVLMRNY-UHFFFAOYSA-N -1 3 370.384 3.189 20 0 FGADHM COc1ccccc1CC(C)(C)C(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000821890358 607249544 /nfs/dbraw/zinc/24/95/44/607249544.db2.gz MNTPMSZOVLMRNY-UHFFFAOYSA-N -1 3 370.384 3.189 20 0 FGADHM O=C(COc1ccc(-c2nn[n-]n2)cc1)Nc1cccc2ccsc21 ZINC000826417212 607772592 /nfs/dbraw/zinc/77/25/92/607772592.db2.gz IUJGVNCXWMNBMZ-UHFFFAOYSA-N -1 3 351.391 3.099 20 0 FGADHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)Nc1cccc2ccsc21 ZINC000826413265 607776852 /nfs/dbraw/zinc/77/68/52/607776852.db2.gz XWOIBIONTSXIJL-UHFFFAOYSA-N -1 3 350.407 3.132 20 0 FGADHM CC(C)OCc1ccc(C(=O)N(C)c2ccccc2-c2nnn[n-]2)cc1 ZINC000824315471 607788726 /nfs/dbraw/zinc/78/87/26/607788726.db2.gz OMMFIDDQWZHLHA-UHFFFAOYSA-N -1 3 351.410 3.068 20 0 FGADHM CC(C)OCc1ccc(C(=O)N(C)c2ccccc2-c2nn[n-]n2)cc1 ZINC000824315471 607788727 /nfs/dbraw/zinc/78/87/27/607788727.db2.gz OMMFIDDQWZHLHA-UHFFFAOYSA-N -1 3 351.410 3.068 20 0 FGADHM CN(C(=O)CCc1ccc(-c2ccccc2)[nH]1)c1ccccc1-c1nnn[n-]1 ZINC000825818040 607788948 /nfs/dbraw/zinc/78/89/48/607788948.db2.gz SYUPZCQEKLFNSU-UHFFFAOYSA-N -1 3 372.432 3.457 20 0 FGADHM CN(C(=O)CCc1ccc(-c2ccccc2)[nH]1)c1ccccc1-c1nn[n-]n1 ZINC000825818040 607788949 /nfs/dbraw/zinc/78/89/49/607788949.db2.gz SYUPZCQEKLFNSU-UHFFFAOYSA-N -1 3 372.432 3.457 20 0 FGADHM CCN(C(=O)CCOc1ccc(C)c(C)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825371731 607796436 /nfs/dbraw/zinc/79/64/36/607796436.db2.gz JGEQOMDENMWIQC-UHFFFAOYSA-N -1 3 365.437 3.306 20 0 FGADHM CCN(C(=O)CCOc1ccc(C)c(C)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825371731 607796437 /nfs/dbraw/zinc/79/64/37/607796437.db2.gz JGEQOMDENMWIQC-UHFFFAOYSA-N -1 3 365.437 3.306 20 0 FGADHM CCN(C(=O)c1ccccc1OCC1CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825385498 607796853 /nfs/dbraw/zinc/79/68/53/607796853.db2.gz IDEWJEPBLZFYCB-UHFFFAOYSA-N -1 3 363.421 3.322 20 0 FGADHM CCN(C(=O)c1ccccc1OCC1CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825385498 607796854 /nfs/dbraw/zinc/79/68/54/607796854.db2.gz IDEWJEPBLZFYCB-UHFFFAOYSA-N -1 3 363.421 3.322 20 0 FGADHM CCN(C(=O)[C@H]1C[C@H]1c1cccc(F)c1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367375 607797123 /nfs/dbraw/zinc/79/71/23/607797123.db2.gz OKJKIZCUVGXTQR-GJZGRUSLSA-N -1 3 369.375 3.302 20 0 FGADHM CCN(C(=O)[C@H]1C[C@H]1c1cccc(F)c1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367375 607797124 /nfs/dbraw/zinc/79/71/24/607797124.db2.gz OKJKIZCUVGXTQR-GJZGRUSLSA-N -1 3 369.375 3.302 20 0 FGADHM CCN(C(=O)C=C(C)c1ccccc1OC)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367784 607799932 /nfs/dbraw/zinc/79/99/32/607799932.db2.gz WPSHMHRPLGCPRS-BUHFOSPRSA-N -1 3 363.421 3.332 20 0 FGADHM CCN(C(=O)C=C(C)c1ccccc1OC)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367784 607799933 /nfs/dbraw/zinc/79/99/33/607799933.db2.gz WPSHMHRPLGCPRS-BUHFOSPRSA-N -1 3 363.421 3.332 20 0 FGADHM c1ccc(C2CCN(c3nc4ccccc4cc3-c3nnn[n-]3)CC2)nc1 ZINC000826520088 607820774 /nfs/dbraw/zinc/82/07/74/607820774.db2.gz AAVOIVXUWAPWKS-UHFFFAOYSA-N -1 3 357.421 3.194 20 0 FGADHM c1ccc(C2CCN(c3nc4ccccc4cc3-c3nn[n-]n3)CC2)nc1 ZINC000826520088 607820775 /nfs/dbraw/zinc/82/07/75/607820775.db2.gz AAVOIVXUWAPWKS-UHFFFAOYSA-N -1 3 357.421 3.194 20 0 FGADHM Cc1ccc(CC(=O)Nc2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)o1 ZINC000826286643 607822899 /nfs/dbraw/zinc/82/28/99/607822899.db2.gz KKWAICFBDVXJBC-UHFFFAOYSA-N -1 3 366.406 3.073 20 0 FGADHM Cc1ccc(CC(=O)Nc2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)o1 ZINC000826286643 607822900 /nfs/dbraw/zinc/82/29/00/607822900.db2.gz KKWAICFBDVXJBC-UHFFFAOYSA-N -1 3 366.406 3.073 20 0 FGADHM CC(C)(C)O[C@H](C(=O)Oc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000824119737 607825850 /nfs/dbraw/zinc/82/58/50/607825850.db2.gz PFEBIAOBKXZVSE-INIZCTEOSA-N -1 3 352.394 3.329 20 0 FGADHM CC(C)(C)O[C@H](C(=O)Oc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000824119737 607825851 /nfs/dbraw/zinc/82/58/51/607825851.db2.gz PFEBIAOBKXZVSE-INIZCTEOSA-N -1 3 352.394 3.329 20 0 FGADHM COc1ccc2cccc(CC(=O)OCc3ccc(-c4nnn[n-]4)cc3)c2c1 ZINC000826214086 607827339 /nfs/dbraw/zinc/82/73/39/607827339.db2.gz ZUNVJFBRKVTNBL-UHFFFAOYSA-N -1 3 374.400 3.314 20 0 FGADHM COc1ccc2cccc(CC(=O)OCc3ccc(-c4nn[n-]n4)cc3)c2c1 ZINC000826214086 607827340 /nfs/dbraw/zinc/82/73/40/607827340.db2.gz ZUNVJFBRKVTNBL-UHFFFAOYSA-N -1 3 374.400 3.314 20 0 FGADHM Cc1cccc(N2CCN(c3ccc4cc(-c5nnn[n-]5)ccc4n3)CC2)c1 ZINC000826299014 607838917 /nfs/dbraw/zinc/83/89/17/607838917.db2.gz OAJJTQBCOKEITN-UHFFFAOYSA-N -1 3 371.448 3.050 20 0 FGADHM Cc1cccc(N2CCN(c3ccc4cc(-c5nn[n-]n5)ccc4n3)CC2)c1 ZINC000826299014 607838918 /nfs/dbraw/zinc/83/89/18/607838918.db2.gz OAJJTQBCOKEITN-UHFFFAOYSA-N -1 3 371.448 3.050 20 0 FGADHM COc1ccc(CN(C)c2ccc3cc(-c4nnn[n-]4)ccc3n2)cc1F ZINC000826193117 607839031 /nfs/dbraw/zinc/83/90/31/607839031.db2.gz QKAMJGPGOFBJEC-UHFFFAOYSA-N -1 3 364.384 3.199 20 0 FGADHM COc1ccc(CN(C)c2ccc3cc(-c4nn[n-]n4)ccc3n2)cc1F ZINC000826193117 607839032 /nfs/dbraw/zinc/83/90/32/607839032.db2.gz QKAMJGPGOFBJEC-UHFFFAOYSA-N -1 3 364.384 3.199 20 0 FGADHM Fc1cc(CNc2cnccc2-c2nnn[n-]2)ccc1Oc1cccnc1 ZINC000826372408 607840391 /nfs/dbraw/zinc/84/03/91/607840391.db2.gz UVQPKGDZGJDNLY-UHFFFAOYSA-N -1 3 363.356 3.200 20 0 FGADHM Fc1cc(CNc2cnccc2-c2nn[n-]n2)ccc1Oc1cccnc1 ZINC000826372408 607840392 /nfs/dbraw/zinc/84/03/92/607840392.db2.gz UVQPKGDZGJDNLY-UHFFFAOYSA-N -1 3 363.356 3.200 20 0 FGADHM CCO[C@H]1C[C@H](Nc2ccc3cc(-c4nnn[n-]4)ccc3n2)C12CCC2 ZINC000825581672 607841884 /nfs/dbraw/zinc/84/18/84/607841884.db2.gz CXZQQKGFYOYNRC-HOTGVXAUSA-N -1 3 350.426 3.175 20 0 FGADHM CCO[C@H]1C[C@H](Nc2ccc3cc(-c4nn[n-]n4)ccc3n2)C12CCC2 ZINC000825581672 607841885 /nfs/dbraw/zinc/84/18/85/607841885.db2.gz CXZQQKGFYOYNRC-HOTGVXAUSA-N -1 3 350.426 3.175 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1OC[C@@H](O)COc1ccccc1C(C)C ZINC000826278885 607877280 /nfs/dbraw/zinc/87/72/80/607877280.db2.gz XENURJSJLYQPKE-INIZCTEOSA-N -1 3 368.437 3.117 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1OC[C@@H](O)COc1ccccc1C(C)C ZINC000826278885 607877281 /nfs/dbraw/zinc/87/72/81/607877281.db2.gz XENURJSJLYQPKE-INIZCTEOSA-N -1 3 368.437 3.117 20 0 FGADHM CCN(C(=O)c1cc(F)ccc1F)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825380547 607877886 /nfs/dbraw/zinc/87/78/86/607877886.db2.gz QOFLVXBPYCOTDI-UHFFFAOYSA-N -1 3 363.755 3.465 20 0 FGADHM CCN(C(=O)c1cc(F)ccc1F)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825380547 607877887 /nfs/dbraw/zinc/87/78/87/607877887.db2.gz QOFLVXBPYCOTDI-UHFFFAOYSA-N -1 3 363.755 3.465 20 0 FGADHM O[C@H](COc1cc(Cl)ccc1-c1nnn[n-]1)c1cccc(Cl)c1 ZINC000826503642 607878480 /nfs/dbraw/zinc/87/84/80/607878480.db2.gz BUTIAASRDOEFIL-CYBMUJFWSA-N -1 3 351.193 3.286 20 0 FGADHM O[C@H](COc1cc(Cl)ccc1-c1nn[n-]n1)c1cccc(Cl)c1 ZINC000826503642 607878481 /nfs/dbraw/zinc/87/84/81/607878481.db2.gz BUTIAASRDOEFIL-CYBMUJFWSA-N -1 3 351.193 3.286 20 0 FGADHM C[C@@H](Nc1c(Cl)cccc1-c1nnn[n-]1)c1ccc([S@](C)=O)cc1 ZINC000824651168 607903642 /nfs/dbraw/zinc/90/36/42/607903642.db2.gz XBPWIZJAVHZTJR-ZZDSUILFSA-N -1 3 361.858 3.431 20 0 FGADHM C[C@@H](Nc1c(Cl)cccc1-c1nn[n-]n1)c1ccc([S@](C)=O)cc1 ZINC000824651168 607903643 /nfs/dbraw/zinc/90/36/43/607903643.db2.gz XBPWIZJAVHZTJR-ZZDSUILFSA-N -1 3 361.858 3.431 20 0 FGADHM CC1=CCN(C(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)CC1 ZINC000824851726 607911345 /nfs/dbraw/zinc/91/13/45/607911345.db2.gz DOCLSWJVPGHXPJ-UHFFFAOYSA-N -1 3 361.405 3.451 20 0 FGADHM CC1=CCN(C(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)CC1 ZINC000824851726 607911346 /nfs/dbraw/zinc/91/13/46/607911346.db2.gz DOCLSWJVPGHXPJ-UHFFFAOYSA-N -1 3 361.405 3.451 20 0 FGADHM O=C(COC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1)c1cccc(-c2nnn[n-]2)c1 ZINC000826415706 607918493 /nfs/dbraw/zinc/91/84/93/607918493.db2.gz PCKBYDLOSOPBRO-GRDNDAEWSA-N -1 3 368.437 3.199 20 0 FGADHM O=C(COC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1)c1cccc(-c2nn[n-]n2)c1 ZINC000826415706 607918494 /nfs/dbraw/zinc/91/84/94/607918494.db2.gz PCKBYDLOSOPBRO-GRDNDAEWSA-N -1 3 368.437 3.199 20 0 FGADHM C[C@@H](Cc1ccc(Cl)s1)OC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000824458226 607924538 /nfs/dbraw/zinc/92/45/38/607924538.db2.gz UKZSWLPJPWLOPC-ZETCQYMHSA-N -1 3 354.844 3.431 20 0 FGADHM C[C@@H](Cc1ccc(Cl)s1)OC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000824458226 607924539 /nfs/dbraw/zinc/92/45/39/607924539.db2.gz UKZSWLPJPWLOPC-ZETCQYMHSA-N -1 3 354.844 3.431 20 0 FGADHM C[C@H](Cc1cccc(Cl)c1)C(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000824457565 607927788 /nfs/dbraw/zinc/92/77/88/607927788.db2.gz PVYAPPZSWCVJRJ-SNVBAGLBSA-N -1 3 360.776 3.443 20 0 FGADHM C[C@H](Cc1cccc(Cl)c1)C(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000824457565 607927789 /nfs/dbraw/zinc/92/77/89/607927789.db2.gz PVYAPPZSWCVJRJ-SNVBAGLBSA-N -1 3 360.776 3.443 20 0 FGADHM CC[C@H](NC(=S)N1CCc2ccc(-c3nnn[n-]3)cc21)c1cccs1 ZINC000825144033 607930371 /nfs/dbraw/zinc/93/03/71/607930371.db2.gz XXZHQXUFWMNEAQ-ZDUSSCGKSA-N -1 3 370.507 3.317 20 0 FGADHM CC[C@H](NC(=S)N1CCc2ccc(-c3nn[n-]n3)cc21)c1cccs1 ZINC000825144033 607930372 /nfs/dbraw/zinc/93/03/72/607930372.db2.gz XXZHQXUFWMNEAQ-ZDUSSCGKSA-N -1 3 370.507 3.317 20 0 FGADHM Cc1c2cc(F)ccc2oc1C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826234271 607945426 /nfs/dbraw/zinc/94/54/26/607945426.db2.gz OIVBHLUHQUPNJH-UHFFFAOYSA-N -1 3 363.352 3.263 20 0 FGADHM Cc1c2cc(F)ccc2oc1C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826234271 607945427 /nfs/dbraw/zinc/94/54/27/607945427.db2.gz OIVBHLUHQUPNJH-UHFFFAOYSA-N -1 3 363.352 3.263 20 0 FGADHM CSCc1cc(C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)ccc1F ZINC000826229284 607948806 /nfs/dbraw/zinc/94/88/06/607948806.db2.gz YIOSMVQBZGAKAV-UHFFFAOYSA-N -1 3 369.425 3.072 20 0 FGADHM CSCc1cc(C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)ccc1F ZINC000826229284 607948807 /nfs/dbraw/zinc/94/88/07/607948807.db2.gz YIOSMVQBZGAKAV-UHFFFAOYSA-N -1 3 369.425 3.072 20 0 FGADHM O=C(c1ccc(SC(F)F)cc1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826473907 607951257 /nfs/dbraw/zinc/95/12/57/607951257.db2.gz SSZRSVIEYIJWEP-UHFFFAOYSA-N -1 3 373.388 3.384 20 0 FGADHM O=C(c1ccc(SC(F)F)cc1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826473907 607951258 /nfs/dbraw/zinc/95/12/58/607951258.db2.gz SSZRSVIEYIJWEP-UHFFFAOYSA-N -1 3 373.388 3.384 20 0 FGADHM O=C([C@@H]1CCC[C@H](C(F)(F)F)C1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826398966 607953450 /nfs/dbraw/zinc/95/34/50/607953450.db2.gz JKIGRDVZWUIJOM-OLZOCXBDSA-N -1 3 365.359 3.125 20 0 FGADHM O=C([C@@H]1CCC[C@H](C(F)(F)F)C1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826398966 607953451 /nfs/dbraw/zinc/95/34/51/607953451.db2.gz JKIGRDVZWUIJOM-OLZOCXBDSA-N -1 3 365.359 3.125 20 0 FGADHM Cc1cccc(C(=O)OCc2ccccc2-c2nnn[n-]2)c1Br ZINC000826296202 607960232 /nfs/dbraw/zinc/96/02/32/607960232.db2.gz MQRSNDMATPYNQT-UHFFFAOYSA-N -1 3 373.210 3.295 20 0 FGADHM Cc1cccc(C(=O)OCc2ccccc2-c2nn[n-]n2)c1Br ZINC000826296202 607960233 /nfs/dbraw/zinc/96/02/33/607960233.db2.gz MQRSNDMATPYNQT-UHFFFAOYSA-N -1 3 373.210 3.295 20 0 FGADHM CCC(=O)c1cc(C(=O)Nc2sc(CC)cc2-c2nnn[n-]2)ccc1F ZINC000825033988 607962040 /nfs/dbraw/zinc/96/20/40/607962040.db2.gz BWMHWLRIMLSROV-UHFFFAOYSA-N -1 3 373.413 3.475 20 0 FGADHM CCC(=O)c1cc(C(=O)Nc2sc(CC)cc2-c2nn[n-]n2)ccc1F ZINC000825033988 607962041 /nfs/dbraw/zinc/96/20/41/607962041.db2.gz BWMHWLRIMLSROV-UHFFFAOYSA-N -1 3 373.413 3.475 20 0 FGADHM CCC[C@@H]1CN(c2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)CCO1 ZINC000825260395 607969844 /nfs/dbraw/zinc/96/98/44/607969844.db2.gz OZNWSXDDPFXDBF-GFCCVEGCSA-N -1 3 358.833 3.074 20 0 FGADHM CCC[C@@H]1CN(c2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)CCO1 ZINC000825260395 607969845 /nfs/dbraw/zinc/96/98/45/607969845.db2.gz OZNWSXDDPFXDBF-GFCCVEGCSA-N -1 3 358.833 3.074 20 0 FGADHM CC(=Cc1cccc(Cl)c1)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000823943136 607981702 /nfs/dbraw/zinc/98/17/02/607981702.db2.gz OMGNMKCYANYCNE-XFFZJAGNSA-N -1 3 371.803 3.379 20 0 FGADHM CC(=Cc1cccc(Cl)c1)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000823943136 607981703 /nfs/dbraw/zinc/98/17/03/607981703.db2.gz OMGNMKCYANYCNE-XFFZJAGNSA-N -1 3 371.803 3.379 20 0 FGADHM CC(=O)c1ccc(NCCCOc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000824025183 607982606 /nfs/dbraw/zinc/98/26/06/607982606.db2.gz WRBBXIJNFUWMET-UHFFFAOYSA-N -1 3 351.410 3.259 20 0 FGADHM Cc1ccc(-c2ncco2)cc1NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000826273528 607982809 /nfs/dbraw/zinc/98/28/09/607982809.db2.gz IJVUYFZAPFYAJP-UHFFFAOYSA-N -1 3 362.393 3.321 20 0 FGADHM c1c(CN2CCc3c4ccccc4[nH]c3C2)c(-c2nnn[n-]2)c2ccccn12 ZINC000826523951 607992578 /nfs/dbraw/zinc/99/25/78/607992578.db2.gz CWPIZJPJXSLOAM-UHFFFAOYSA-N -1 3 369.432 3.159 20 0 FGADHM c1c(CN2CCc3c4ccccc4[nH]c3C2)c(-c2nn[n-]n2)c2ccccn12 ZINC000826523951 607992579 /nfs/dbraw/zinc/99/25/79/607992579.db2.gz CWPIZJPJXSLOAM-UHFFFAOYSA-N -1 3 369.432 3.159 20 0 FGADHM Cc1c(NC(=O)c2cc(C3CCCCC3)[nH]n2)cccc1-c1nnn[n-]1 ZINC000826242508 607994942 /nfs/dbraw/zinc/99/49/42/607994942.db2.gz RZQAQDKJBWODKR-UHFFFAOYSA-N -1 3 351.414 3.198 20 0 FGADHM Cc1c(NC(=O)c2cc(C3CCCCC3)[nH]n2)cccc1-c1nn[n-]n1 ZINC000826242508 607994943 /nfs/dbraw/zinc/99/49/43/607994943.db2.gz RZQAQDKJBWODKR-UHFFFAOYSA-N -1 3 351.414 3.198 20 0 FGADHM C[C@@H](CNc1cccc(F)c1-c1nnn[n-]1)c1nc(-c2ccccc2)no1 ZINC000824436850 608016955 /nfs/dbraw/zinc/01/69/55/608016955.db2.gz WGBRYWJQUDGWLU-NSHDSACASA-N -1 3 365.372 3.271 20 0 FGADHM C[C@@H](CNc1cccc(F)c1-c1nn[n-]n1)c1nc(-c2ccccc2)no1 ZINC000824436850 608016956 /nfs/dbraw/zinc/01/69/56/608016956.db2.gz WGBRYWJQUDGWLU-NSHDSACASA-N -1 3 365.372 3.271 20 0 FGADHM c1nc(CSc2nc3c(cc2-c2nnn[n-]2)CCCC3)oc1C1CC1 ZINC000826526787 608023341 /nfs/dbraw/zinc/02/33/41/608023341.db2.gz MOCNBIYWIILFSI-UHFFFAOYSA-N -1 3 354.439 3.298 20 0 FGADHM c1nc(CSc2nc3c(cc2-c2nn[n-]n2)CCCC3)oc1C1CC1 ZINC000826526787 608023342 /nfs/dbraw/zinc/02/33/42/608023342.db2.gz MOCNBIYWIILFSI-UHFFFAOYSA-N -1 3 354.439 3.298 20 0 FGADHM ClC1(Cl)C[C@H]1CNc1ccc(-c2nn[n-]n2)cc1Br ZINC000826350053 608047473 /nfs/dbraw/zinc/04/74/73/608047473.db2.gz GHSWRHYHIOYSPY-ZETCQYMHSA-N -1 3 363.046 3.235 20 0 FGADHM Brc1cc(-c2nn[n-]n2)ccc1N(Cc1cccnc1)C1CC1 ZINC000823827108 608047684 /nfs/dbraw/zinc/04/76/84/608047684.db2.gz UQOCVDJLBRIDNA-UHFFFAOYSA-N -1 3 371.242 3.193 20 0 FGADHM Cc1cccc([C@H](O)CNc2ccc(-c3nn[n-]n3)cc2Br)c1 ZINC000826296635 608051381 /nfs/dbraw/zinc/05/13/81/608051381.db2.gz DMTKHNGHOGOPQG-OAHLLOKOSA-N -1 3 374.242 3.083 20 0 FGADHM Cc1ccc2nc(CSc3nc(C)cc(C)c3-c3nnn[n-]3)cn2c1 ZINC000826295728 608057512 /nfs/dbraw/zinc/05/75/12/608057512.db2.gz VIMVHBLXGGPJMG-UHFFFAOYSA-N -1 3 351.439 3.127 20 0 FGADHM Cc1ccc2nc(CSc3nc(C)cc(C)c3-c3nn[n-]n3)cn2c1 ZINC000826295728 608057513 /nfs/dbraw/zinc/05/75/13/608057513.db2.gz VIMVHBLXGGPJMG-UHFFFAOYSA-N -1 3 351.439 3.127 20 0 FGADHM O=C(CCCc1cc(F)ccc1F)OCc1cccc(-c2nnn[n-]2)c1 ZINC000826406840 608059821 /nfs/dbraw/zinc/05/98/21/608059821.db2.gz PNFPWZOFDZOJHW-UHFFFAOYSA-N -1 3 358.348 3.211 20 0 FGADHM O=C(CCCc1cc(F)ccc1F)OCc1cccc(-c2nn[n-]n2)c1 ZINC000826406840 608059822 /nfs/dbraw/zinc/05/98/22/608059822.db2.gz PNFPWZOFDZOJHW-UHFFFAOYSA-N -1 3 358.348 3.211 20 0 FGADHM CCC(CC)[C@@H](C)C(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825096664 608061882 /nfs/dbraw/zinc/06/18/82/608061882.db2.gz PJQXPLZCBRAQNW-CQSZACIVSA-N -1 3 371.485 3.309 20 0 FGADHM Fc1ccc2c(c1)[C@H](N1CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C1)CC2 ZINC000826375985 608067314 /nfs/dbraw/zinc/06/73/14/608067314.db2.gz JQBANUOHDFBCSQ-RTBURBONSA-N -1 3 365.412 3.067 20 0 FGADHM Clc1ccc(CN2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)s1 ZINC000826351881 608071983 /nfs/dbraw/zinc/07/19/83/608071983.db2.gz FLZMILATLNZZDR-AWEZNQCLSA-N -1 3 361.858 3.155 20 0 FGADHM Clc1ccc(CN2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)s1 ZINC000826351881 608071984 /nfs/dbraw/zinc/07/19/84/608071984.db2.gz FLZMILATLNZZDR-AWEZNQCLSA-N -1 3 361.858 3.155 20 0 FGADHM c1ccc2c(c1)nc(N[C@@H]1CC[C@H]3SCCS[C@@H]13)cc2-c1nnn[n-]1 ZINC000826522754 608099148 /nfs/dbraw/zinc/09/91/48/608099148.db2.gz MUOUQELJWZIHOR-FMKPAKJESA-N -1 3 370.507 3.206 20 0 FGADHM c1ccc2c(c1)nc(N[C@@H]1CC[C@H]3SCCS[C@@H]13)cc2-c1nn[n-]n1 ZINC000826522754 608099149 /nfs/dbraw/zinc/09/91/49/608099149.db2.gz MUOUQELJWZIHOR-FMKPAKJESA-N -1 3 370.507 3.206 20 0 FGADHM COc1ccc(C[C@@H](C)CNc2ccc(-c3nn[n-]n3)cc2)cc1OC ZINC000826191504 608099670 /nfs/dbraw/zinc/09/96/70/608099670.db2.gz IJXMQTGYCXQPKP-CYBMUJFWSA-N -1 3 353.426 3.175 20 0 FGADHM O[C@H](CNc1ccc(Cl)cc1-c1nnn[n-]1)c1ccc(Cl)c(F)c1 ZINC000826504237 608100177 /nfs/dbraw/zinc/10/01/77/608100177.db2.gz QKPLTIZWAQXHAU-CQSZACIVSA-N -1 3 368.199 3.458 20 0 FGADHM O[C@H](CNc1ccc(Cl)cc1-c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000826504237 608100178 /nfs/dbraw/zinc/10/01/78/608100178.db2.gz QKPLTIZWAQXHAU-CQSZACIVSA-N -1 3 368.199 3.458 20 0 FGADHM CC[C@@H](C)n1ncc(NC(=O)Cc2cccc(-c3nnn[n-]3)c2)c1C1CC1 ZINC000825081424 608102593 /nfs/dbraw/zinc/10/25/93/608102593.db2.gz IWARVNINNPWACU-GFCCVEGCSA-N -1 3 365.441 3.093 20 0 FGADHM CC[C@@H](C)n1ncc(NC(=O)Cc2cccc(-c3nn[n-]n3)c2)c1C1CC1 ZINC000825081424 608102594 /nfs/dbraw/zinc/10/25/94/608102594.db2.gz IWARVNINNPWACU-GFCCVEGCSA-N -1 3 365.441 3.093 20 0 FGADHM C[C@@H](NC(=O)[C@H](C)c1c(F)cccc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000824471201 608114165 /nfs/dbraw/zinc/11/41/65/608114165.db2.gz PIFDOQVGWAKFIZ-GHMZBOCLSA-N -1 3 357.364 3.126 20 0 FGADHM C[C@@H](NC(=O)[C@H](C)c1c(F)cccc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000824471201 608114166 /nfs/dbraw/zinc/11/41/66/608114166.db2.gz PIFDOQVGWAKFIZ-GHMZBOCLSA-N -1 3 357.364 3.126 20 0 FGADHM CCSc1cccc(C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)c1 ZINC000825674721 608115014 /nfs/dbraw/zinc/11/50/14/608115014.db2.gz RNVKSPDZXRWSKK-UHFFFAOYSA-N -1 3 351.435 3.182 20 0 FGADHM CCSc1cccc(C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)c1 ZINC000825674721 608115015 /nfs/dbraw/zinc/11/50/15/608115015.db2.gz RNVKSPDZXRWSKK-UHFFFAOYSA-N -1 3 351.435 3.182 20 0 FGADHM O=C(NCC1(c2ccccc2Cl)CC1)c1sccc1-c1nnn[n-]1 ZINC000826434212 608116703 /nfs/dbraw/zinc/11/67/03/608116703.db2.gz GPOSCGVRYFJTEY-UHFFFAOYSA-N -1 3 359.842 3.043 20 0 FGADHM O=C(NCC1(c2ccccc2Cl)CC1)c1sccc1-c1nn[n-]n1 ZINC000826434212 608116704 /nfs/dbraw/zinc/11/67/04/608116704.db2.gz GPOSCGVRYFJTEY-UHFFFAOYSA-N -1 3 359.842 3.043 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)N1CC[C@@H](C2CC2)C1 ZINC000826452557 608119373 /nfs/dbraw/zinc/11/93/73/608119373.db2.gz XQZQRDSPXNXDCR-SNVBAGLBSA-N -1 3 366.347 3.149 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)N1CC[C@@H](C2CC2)C1 ZINC000826452557 608119374 /nfs/dbraw/zinc/11/93/74/608119374.db2.gz XQZQRDSPXNXDCR-SNVBAGLBSA-N -1 3 366.347 3.149 20 0 FGADHM C[C@@H](C[C@@H](O)c1ccco1)Nc1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000824393848 608123332 /nfs/dbraw/zinc/12/33/32/608123332.db2.gz URCSFWYGQRUKJX-TVQRCGJNSA-N -1 3 367.331 3.403 20 0 FGADHM C[C@@H](C[C@@H](O)c1ccco1)Nc1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000824393848 608123333 /nfs/dbraw/zinc/12/33/33/608123333.db2.gz URCSFWYGQRUKJX-TVQRCGJNSA-N -1 3 367.331 3.403 20 0 FGADHM CC(C)(C)[C@@H]1CCN(C(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)C1 ZINC000824078281 608130976 /nfs/dbraw/zinc/13/09/76/608130976.db2.gz HTEAWGKOUPTKHL-MRXNPFEDSA-N -1 3 371.485 3.310 20 0 FGADHM CC(C)(C)[C@@H]1CCN(C(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)C1 ZINC000824078281 608130977 /nfs/dbraw/zinc/13/09/77/608130977.db2.gz HTEAWGKOUPTKHL-MRXNPFEDSA-N -1 3 371.485 3.310 20 0 FGADHM Cc1cc(C)cc([C@H]2CCN(C(=O)c3sccc3-c3nnn[n-]3)C2)c1 ZINC000826264257 608131601 /nfs/dbraw/zinc/13/16/01/608131601.db2.gz HRSITBMWGXQFKM-ZDUSSCGKSA-N -1 3 353.451 3.175 20 0 FGADHM Cc1cc(C)cc([C@H]2CCN(C(=O)c3sccc3-c3nn[n-]n3)C2)c1 ZINC000826264257 608131602 /nfs/dbraw/zinc/13/16/02/608131602.db2.gz HRSITBMWGXQFKM-ZDUSSCGKSA-N -1 3 353.451 3.175 20 0 FGADHM C[C@@H](NC(=O)N1CC[C@@H](C)C2(CCC2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824487940 608161315 /nfs/dbraw/zinc/16/13/15/608161315.db2.gz CZZRRCOEUMTKSN-ZIAGYGMSSA-N -1 3 354.458 3.149 20 0 FGADHM C[C@@H](NC(=O)N1CC[C@@H](C)C2(CCC2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824487940 608161316 /nfs/dbraw/zinc/16/13/16/608161316.db2.gz CZZRRCOEUMTKSN-ZIAGYGMSSA-N -1 3 354.458 3.149 20 0 FGADHM c1ccc2nc(N3CCC(Cc4cccnc4)CC3)c(-c3nnn[n-]3)cc2c1 ZINC000826525720 608194693 /nfs/dbraw/zinc/19/46/93/608194693.db2.gz WMCURUCDCZGJDL-UHFFFAOYSA-N -1 3 371.448 3.269 20 0 FGADHM c1ccc2nc(N3CCC(Cc4cccnc4)CC3)c(-c3nn[n-]n3)cc2c1 ZINC000826525720 608194695 /nfs/dbraw/zinc/19/46/95/608194695.db2.gz WMCURUCDCZGJDL-UHFFFAOYSA-N -1 3 371.448 3.269 20 0 FGADHM C[C@@H](Sc1cccc(Cl)c1-c1nnn[n-]1)C(=O)NC1CCCC1 ZINC000824754103 608205573 /nfs/dbraw/zinc/20/55/73/608205573.db2.gz HWVYQNBPAKNVPZ-SECBINFHSA-N -1 3 351.863 3.060 20 0 FGADHM C[C@@H](Sc1cccc(Cl)c1-c1nn[n-]n1)C(=O)NC1CCCC1 ZINC000824754103 608205575 /nfs/dbraw/zinc/20/55/75/608205575.db2.gz HWVYQNBPAKNVPZ-SECBINFHSA-N -1 3 351.863 3.060 20 0 FGADHM O=C(c1c(Cl)cc(-c2nnn[n-]2)cc1Cl)N1CC[C@H](C2CC2)C1 ZINC000826468300 608209113 /nfs/dbraw/zinc/20/91/13/608209113.db2.gz KNDYVZHCUZBTKN-VIFPVBQESA-N -1 3 352.225 3.046 20 0 FGADHM O=C(c1c(Cl)cc(-c2nn[n-]n2)cc1Cl)N1CC[C@H](C2CC2)C1 ZINC000826468300 608209115 /nfs/dbraw/zinc/20/91/15/608209115.db2.gz KNDYVZHCUZBTKN-VIFPVBQESA-N -1 3 352.225 3.046 20 0 FGADHM O=C(Nc1ccon1)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000826458759 608212714 /nfs/dbraw/zinc/21/27/14/608212714.db2.gz DTYLKFQSYPXQIK-UHFFFAOYSA-N -1 3 364.390 3.258 20 0 FGADHM O=C(Nc1ccon1)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC000826458759 608212715 /nfs/dbraw/zinc/21/27/15/608212715.db2.gz DTYLKFQSYPXQIK-UHFFFAOYSA-N -1 3 364.390 3.258 20 0 FGADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1F)c1ccc(Cl)c(F)c1 ZINC000826464993 608254372 /nfs/dbraw/zinc/25/43/72/608254372.db2.gz UQHCPXWPAGLYBQ-UHFFFAOYSA-N -1 3 350.712 3.155 20 0 FGADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1F)c1ccc(Cl)c(F)c1 ZINC000826464993 608254374 /nfs/dbraw/zinc/25/43/74/608254374.db2.gz UQHCPXWPAGLYBQ-UHFFFAOYSA-N -1 3 350.712 3.155 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1CSc1nc2cc(Cl)cnc2[nH]1 ZINC000826173401 608260826 /nfs/dbraw/zinc/26/08/26/608260826.db2.gz CAMAIADZDTTZAR-UHFFFAOYSA-N -1 3 373.829 3.092 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1CSc1nc2cc(Cl)cnc2[nH]1 ZINC000826173401 608260827 /nfs/dbraw/zinc/26/08/27/608260827.db2.gz CAMAIADZDTTZAR-UHFFFAOYSA-N -1 3 373.829 3.092 20 0 FGADHM C[C@H](OC(=O)C=Cc1ccc(Cl)nc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824713885 608274161 /nfs/dbraw/zinc/27/41/61/608274161.db2.gz KHSMGLSDONHWOF-JYKYSHPRSA-N -1 3 355.785 3.233 20 0 FGADHM C[C@H](OC(=O)C=Cc1ccc(Cl)nc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824713885 608274162 /nfs/dbraw/zinc/27/41/62/608274162.db2.gz KHSMGLSDONHWOF-JYKYSHPRSA-N -1 3 355.785 3.233 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)c(NCc2ccnc(OCc3ccccc3)c2)n1 ZINC000826277007 608275011 /nfs/dbraw/zinc/27/50/11/608275011.db2.gz FXKFQYMPNYCYNA-UHFFFAOYSA-N -1 3 373.420 3.156 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)c(NCc2ccnc(OCc3ccccc3)c2)n1 ZINC000826277007 608275012 /nfs/dbraw/zinc/27/50/12/608275012.db2.gz FXKFQYMPNYCYNA-UHFFFAOYSA-N -1 3 373.420 3.156 20 0 FGADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)Cc2ccc(Cl)nc2C)s1 ZINC000825694633 608275478 /nfs/dbraw/zinc/27/54/78/608275478.db2.gz XLPVFCARZSBNHW-UHFFFAOYSA-N -1 3 362.846 3.029 20 0 FGADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)Cc2ccc(Cl)nc2C)s1 ZINC000825694633 608275479 /nfs/dbraw/zinc/27/54/79/608275479.db2.gz XLPVFCARZSBNHW-UHFFFAOYSA-N -1 3 362.846 3.029 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1cccc([C@@H]2CCCOC2)c1 ZINC000826454130 608287338 /nfs/dbraw/zinc/28/73/38/608287338.db2.gz KMWZXMYIAJXZDA-CQSZACIVSA-N -1 3 367.384 3.152 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1cccc([C@@H]2CCCOC2)c1 ZINC000826454130 608287339 /nfs/dbraw/zinc/28/73/39/608287339.db2.gz KMWZXMYIAJXZDA-CQSZACIVSA-N -1 3 367.384 3.152 20 0 FGADHM CC[C@@H](C)NC(=S)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000825068110 608289736 /nfs/dbraw/zinc/28/97/36/608289736.db2.gz PVPZXUMEHBYRFQ-CYBMUJFWSA-N -1 3 366.494 3.296 20 0 FGADHM CC[C@@H](C)NC(=S)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000825068110 608289738 /nfs/dbraw/zinc/28/97/38/608289738.db2.gz PVPZXUMEHBYRFQ-CYBMUJFWSA-N -1 3 366.494 3.296 20 0 FGADHM CCCCn1cc(CNc2ccc3cc(-c4nnn[n-]4)ccc3n2)c(C)n1 ZINC000825302233 608293939 /nfs/dbraw/zinc/29/39/39/608293939.db2.gz YPBQNFKBQQEWKB-UHFFFAOYSA-N -1 3 362.441 3.332 20 0 FGADHM CCCCn1cc(CNc2ccc3cc(-c4nn[n-]n4)ccc3n2)c(C)n1 ZINC000825302233 608293940 /nfs/dbraw/zinc/29/39/40/608293940.db2.gz YPBQNFKBQQEWKB-UHFFFAOYSA-N -1 3 362.441 3.332 20 0 FGADHM CC(C)(C)n1ncc2c1ncnc2Oc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000824152951 608295697 /nfs/dbraw/zinc/29/56/97/608295697.db2.gz VMNSUSGSRJSQIU-UHFFFAOYSA-N -1 3 370.804 3.207 20 0 FGADHM CC(C)(C)n1ncc2c1ncnc2Oc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000824152951 608295699 /nfs/dbraw/zinc/29/56/99/608295699.db2.gz VMNSUSGSRJSQIU-UHFFFAOYSA-N -1 3 370.804 3.207 20 0 FGADHM C[C@@H](C[C@H](O)c1ccccc1)Nc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC000824394833 608296301 /nfs/dbraw/zinc/29/63/01/608296301.db2.gz ZAGIYNPAGRSLNZ-UGSOOPFHSA-N -1 3 364.453 3.065 20 0 FGADHM C[C@@H](C[C@H](O)c1ccccc1)Nc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC000824394833 608296302 /nfs/dbraw/zinc/29/63/02/608296302.db2.gz ZAGIYNPAGRSLNZ-UGSOOPFHSA-N -1 3 364.453 3.065 20 0 FGADHM c1ccc2c(c1)nc(N1CCC[C@H](C[C@H]3CCOC3)C1)cc2-c1nnn[n-]1 ZINC000826522789 608297077 /nfs/dbraw/zinc/29/70/77/608297077.db2.gz OHNLHZCPBMSUOQ-HUUCEWRRSA-N -1 3 364.453 3.058 20 0 FGADHM c1ccc2c(c1)nc(N1CCC[C@H](C[C@H]3CCOC3)C1)cc2-c1nn[n-]n1 ZINC000826522789 608297078 /nfs/dbraw/zinc/29/70/78/608297078.db2.gz OHNLHZCPBMSUOQ-HUUCEWRRSA-N -1 3 364.453 3.058 20 0 FGADHM O=C(NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)Nc1ccccn1 ZINC000826441353 608301897 /nfs/dbraw/zinc/30/18/97/608301897.db2.gz ZYWICXACLSFFJZ-UHFFFAOYSA-N -1 3 371.404 3.250 20 0 FGADHM O=C(NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)Nc1ccccn1 ZINC000826441353 608301899 /nfs/dbraw/zinc/30/18/99/608301899.db2.gz ZYWICXACLSFFJZ-UHFFFAOYSA-N -1 3 371.404 3.250 20 0 FGADHM CC(C)SCC(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000824337630 608305056 /nfs/dbraw/zinc/30/50/56/608305056.db2.gz DQXIXSKTBBRUEE-UHFFFAOYSA-N -1 3 367.478 3.292 20 0 FGADHM CC(C)SCC(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000824337630 608305059 /nfs/dbraw/zinc/30/50/59/608305059.db2.gz DQXIXSKTBBRUEE-UHFFFAOYSA-N -1 3 367.478 3.292 20 0 FGADHM Cc1nn(-c2ccccc2)c(CN(C)[C@@H](C)c2ccco2)c1-c1nnn[n-]1 ZINC000826331929 608310491 /nfs/dbraw/zinc/31/04/91/608310491.db2.gz DLKXVGCXZKGRIS-AWEZNQCLSA-N -1 3 363.425 3.147 20 0 FGADHM Cc1nn(-c2ccccc2)c(CN(C)[C@@H](C)c2ccco2)c1-c1nn[n-]n1 ZINC000826331929 608310493 /nfs/dbraw/zinc/31/04/93/608310493.db2.gz DLKXVGCXZKGRIS-AWEZNQCLSA-N -1 3 363.425 3.147 20 0 FGADHM C[C@@H](NC(=O)N[C@H](C)c1cccc(F)c1F)c1cccc(-c2nnn[n-]2)c1 ZINC000824492049 608312510 /nfs/dbraw/zinc/31/25/10/608312510.db2.gz XEKSITZXKIWXAQ-GHMZBOCLSA-N -1 3 372.379 3.266 20 0 FGADHM C[C@@H](NC(=O)N[C@H](C)c1cccc(F)c1F)c1cccc(-c2nn[n-]n2)c1 ZINC000824492049 608312512 /nfs/dbraw/zinc/31/25/12/608312512.db2.gz XEKSITZXKIWXAQ-GHMZBOCLSA-N -1 3 372.379 3.266 20 0 FGADHM COc1ccc(OC(C)C)c(NCc2ccc(-c3nnn[n-]3)cc2OC)c1 ZINC000826210439 608321131 /nfs/dbraw/zinc/32/11/31/608321131.db2.gz RTOMJTJCPBSLMJ-UHFFFAOYSA-N -1 3 369.425 3.283 20 0 FGADHM COc1ccc(OC(C)C)c(NCc2ccc(-c3nn[n-]n3)cc2OC)c1 ZINC000826210439 608321133 /nfs/dbraw/zinc/32/11/33/608321133.db2.gz RTOMJTJCPBSLMJ-UHFFFAOYSA-N -1 3 369.425 3.283 20 0 FGADHM Cc1cncc(C(=O)NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)c1 ZINC000826319174 608329768 /nfs/dbraw/zinc/32/97/68/608329768.db2.gz QTFSEGJZTQFTDV-UHFFFAOYSA-N -1 3 370.416 3.167 20 0 FGADHM Cc1cncc(C(=O)NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)c1 ZINC000826319174 608329770 /nfs/dbraw/zinc/32/97/70/608329770.db2.gz QTFSEGJZTQFTDV-UHFFFAOYSA-N -1 3 370.416 3.167 20 0 FGADHM CS[C@@H](C)CCC(=O)Nc1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000826225735 608339234 /nfs/dbraw/zinc/33/92/34/608339234.db2.gz JOYDWMIZXDNZQI-JTQLQIEISA-N -1 3 374.495 3.460 20 0 FGADHM CS[C@@H](C)CCC(=O)Nc1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000826225735 608339236 /nfs/dbraw/zinc/33/92/36/608339236.db2.gz JOYDWMIZXDNZQI-JTQLQIEISA-N -1 3 374.495 3.460 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)C[C@H](C)c1ccccc1 ZINC000826171673 608343642 /nfs/dbraw/zinc/34/36/42/608343642.db2.gz VBNVVLVFCAPWFB-ZDUSSCGKSA-N -1 3 352.394 3.112 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)C[C@H](C)c1ccccc1 ZINC000826171673 608343644 /nfs/dbraw/zinc/34/36/44/608343644.db2.gz VBNVVLVFCAPWFB-ZDUSSCGKSA-N -1 3 352.394 3.112 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)CSc1ccccc1C ZINC000826172058 608343937 /nfs/dbraw/zinc/34/39/37/608343937.db2.gz LKVUEUIVISUZFG-UHFFFAOYSA-N -1 3 370.434 3.019 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)CSc1ccccc1C ZINC000826172058 608343939 /nfs/dbraw/zinc/34/39/39/608343939.db2.gz LKVUEUIVISUZFG-UHFFFAOYSA-N -1 3 370.434 3.019 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)C(C)(C)c1ccccc1F ZINC000826170701 608350337 /nfs/dbraw/zinc/35/03/37/608350337.db2.gz LTYWCYJAZKGKRG-UHFFFAOYSA-N -1 3 370.384 3.035 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)C(C)(C)c1ccccc1F ZINC000826170701 608350338 /nfs/dbraw/zinc/35/03/38/608350338.db2.gz LTYWCYJAZKGKRG-UHFFFAOYSA-N -1 3 370.384 3.035 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)[C@@H](C)OC1CCCCCC1 ZINC000826170674 608363182 /nfs/dbraw/zinc/36/31/82/608363182.db2.gz KQXUXAULWREFCS-CYBMUJFWSA-N -1 3 374.441 3.046 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)[C@@H](C)OC1CCCCCC1 ZINC000826170674 608363184 /nfs/dbraw/zinc/36/31/84/608363184.db2.gz KQXUXAULWREFCS-CYBMUJFWSA-N -1 3 374.441 3.046 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)CCCc1sccc1C ZINC000826171667 608365314 /nfs/dbraw/zinc/36/53/14/608365314.db2.gz UUGWDLWSSIDGSU-UHFFFAOYSA-N -1 3 372.450 3.311 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)CCCc1sccc1C ZINC000826171667 608365316 /nfs/dbraw/zinc/36/53/16/608365316.db2.gz UUGWDLWSSIDGSU-UHFFFAOYSA-N -1 3 372.450 3.311 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1CN1CC[C@@H]1c1ccc(Cl)cc1 ZINC000826169209 608367288 /nfs/dbraw/zinc/36/72/88/608367288.db2.gz LDGJWFYIMBUPHV-MRXNPFEDSA-N -1 3 355.829 3.476 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1CN1CC[C@@H]1c1ccc(Cl)cc1 ZINC000826169209 608367290 /nfs/dbraw/zinc/36/72/90/608367290.db2.gz LDGJWFYIMBUPHV-MRXNPFEDSA-N -1 3 355.829 3.476 20 0 FGADHM Cc1ccc(S(=O)(=O)CCCSc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826292950 608399556 /nfs/dbraw/zinc/39/95/56/608399556.db2.gz UMPXWFSAOUCWMM-UHFFFAOYSA-N -1 3 374.491 3.131 20 0 FGADHM Cc1ccc(S(=O)(=O)CCCSc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826292950 608399558 /nfs/dbraw/zinc/39/95/58/608399558.db2.gz UMPXWFSAOUCWMM-UHFFFAOYSA-N -1 3 374.491 3.131 20 0 FGADHM Cc1nc2ccccc2nc1N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826328726 608441906 /nfs/dbraw/zinc/44/19/06/608441906.db2.gz ALZBJHNKZHSDEU-UHFFFAOYSA-N -1 3 369.432 3.412 20 0 FGADHM Cc1nc2ccccc2nc1N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826328726 608441908 /nfs/dbraw/zinc/44/19/08/608441908.db2.gz ALZBJHNKZHSDEU-UHFFFAOYSA-N -1 3 369.432 3.412 20 0 FGADHM CC(=CC(=O)OCc1cccc(-c2nnn[n-]2)c1F)c1ccc(F)cc1 ZINC000823942746 608444080 /nfs/dbraw/zinc/44/40/80/608444080.db2.gz IOWWPPKOSZTPDE-LUAWRHEFSA-N -1 3 356.332 3.292 20 0 FGADHM CC(=CC(=O)OCc1cccc(-c2nn[n-]n2)c1F)c1ccc(F)cc1 ZINC000823942746 608444082 /nfs/dbraw/zinc/44/40/82/608444082.db2.gz IOWWPPKOSZTPDE-LUAWRHEFSA-N -1 3 356.332 3.292 20 0 FGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000826466323 608450460 /nfs/dbraw/zinc/45/04/60/608450460.db2.gz XNCKOYWMTYMWLL-OCCSQVGLSA-N -1 3 374.322 3.131 20 0 FGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000826466323 608450462 /nfs/dbraw/zinc/45/04/62/608450462.db2.gz XNCKOYWMTYMWLL-OCCSQVGLSA-N -1 3 374.322 3.131 20 0 FGADHM CC[C@@H](Oc1cccc(C)c1)C(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000825160064 608451505 /nfs/dbraw/zinc/45/15/05/608451505.db2.gz XIQWCUZIWXIXNC-MRXNPFEDSA-N -1 3 370.384 3.215 20 0 FGADHM CC[C@@H](Oc1cccc(C)c1)C(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000825160064 608451507 /nfs/dbraw/zinc/45/15/07/608451507.db2.gz XIQWCUZIWXIXNC-MRXNPFEDSA-N -1 3 370.384 3.215 20 0 FGADHM C[C@H](NCc1csc(-c2ccoc2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824625352 608467067 /nfs/dbraw/zinc/46/70/67/608467067.db2.gz GDVGTTDCWPHFNP-NSHDSACASA-N -1 3 352.423 3.434 20 0 FGADHM C[C@@H](N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1nnc(-c2cccs2)o1 ZINC000824530661 608491953 /nfs/dbraw/zinc/49/19/53/608491953.db2.gz MQLZTRPDXZYUJX-WDEREUQCSA-N -1 3 367.438 3.390 20 0 FGADHM CCN(Cc1ccc(Cl)s1)Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000825435218 608501987 /nfs/dbraw/zinc/50/19/87/608501987.db2.gz PWWFMFJBZQMCEK-UHFFFAOYSA-N -1 3 373.873 3.251 20 0 FGADHM CCN(Cc1ccc(Cl)s1)Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000825435218 608501988 /nfs/dbraw/zinc/50/19/88/608501988.db2.gz PWWFMFJBZQMCEK-UHFFFAOYSA-N -1 3 373.873 3.251 20 0 FGADHM c1nc(CNC2(c3cccc(-c4nnn[n-]4)c3)CC2)oc1-c1ccccc1 ZINC000826519157 608533390 /nfs/dbraw/zinc/53/33/90/608533390.db2.gz MNOZLOZNLWRWQG-UHFFFAOYSA-N -1 3 358.405 3.301 20 0 FGADHM c1nc(CNC2(c3cccc(-c4nn[n-]n4)c3)CC2)oc1-c1ccccc1 ZINC000826519157 608533391 /nfs/dbraw/zinc/53/33/91/608533391.db2.gz MNOZLOZNLWRWQG-UHFFFAOYSA-N -1 3 358.405 3.301 20 0 FGADHM CC(=O)Nc1ccc(C)c(NC(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)c1 ZINC000823999849 608574628 /nfs/dbraw/zinc/57/46/28/608574628.db2.gz JJHVJCOGPJZHCE-UHFFFAOYSA-N -1 3 370.800 3.039 20 0 FGADHM CC(=O)Nc1ccc(C)c(NC(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)c1 ZINC000823999849 608574629 /nfs/dbraw/zinc/57/46/29/608574629.db2.gz JJHVJCOGPJZHCE-UHFFFAOYSA-N -1 3 370.800 3.039 20 0 FGADHM CC[C@@](C)(NC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)c1nccs1 ZINC000825043160 608576992 /nfs/dbraw/zinc/57/69/92/608576992.db2.gz FKXIRHRIKDGVAW-OAHLLOKOSA-N -1 3 362.846 3.032 20 0 FGADHM CC[C@@](C)(NC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)c1nccs1 ZINC000825043160 608576994 /nfs/dbraw/zinc/57/69/94/608576994.db2.gz FKXIRHRIKDGVAW-OAHLLOKOSA-N -1 3 362.846 3.032 20 0 FGADHM Cc1csc([C@@H](NC(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)C2CC2)n1 ZINC000826320105 608577515 /nfs/dbraw/zinc/57/75/15/608577515.db2.gz GNDMODUQOSWOOL-ZDUSSCGKSA-N -1 3 374.857 3.166 20 0 FGADHM Cc1csc([C@@H](NC(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)C2CC2)n1 ZINC000826320105 608577516 /nfs/dbraw/zinc/57/75/16/608577516.db2.gz GNDMODUQOSWOOL-ZDUSSCGKSA-N -1 3 374.857 3.166 20 0 FGADHM CCCOc1ccc(NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1 ZINC000825339163 608611089 /nfs/dbraw/zinc/61/10/89/608611089.db2.gz PLHLVALWYQSYLH-UHFFFAOYSA-N -1 3 359.336 3.186 20 0 FGADHM CCCOc1ccc(NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1 ZINC000825339163 608611091 /nfs/dbraw/zinc/61/10/91/608611091.db2.gz PLHLVALWYQSYLH-UHFFFAOYSA-N -1 3 359.336 3.186 20 0 FGADHM COCCSc1ccc([C@H](C)Nc2cnccc2-c2nnn[n-]2)cc1 ZINC000826163500 608781401 /nfs/dbraw/zinc/78/14/01/608781401.db2.gz XIXMVERIZBYKPH-LBPRGKRZSA-N -1 3 356.455 3.173 20 0 FGADHM COCCSc1ccc([C@H](C)Nc2cnccc2-c2nn[n-]n2)cc1 ZINC000826163500 608781402 /nfs/dbraw/zinc/78/14/02/608781402.db2.gz XIXMVERIZBYKPH-LBPRGKRZSA-N -1 3 356.455 3.173 20 0 FGADHM O=C(O[C@@H](c1nccs1)c1ccccc1)c1cc(-c2nnn[n-]2)cs1 ZINC000826461916 608823104 /nfs/dbraw/zinc/82/31/04/608823104.db2.gz JXJLJLBQKAALGI-CYBMUJFWSA-N -1 3 369.431 3.331 20 0 FGADHM O=C(O[C@@H](c1nccs1)c1ccccc1)c1cc(-c2nn[n-]n2)cs1 ZINC000826461916 608823106 /nfs/dbraw/zinc/82/31/06/608823106.db2.gz JXJLJLBQKAALGI-CYBMUJFWSA-N -1 3 369.431 3.331 20 0 FGADHM CC(C)Oc1ccc(F)cc1NCc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000824324245 608859593 /nfs/dbraw/zinc/85/95/93/608859593.db2.gz JVQBBFKIAGSNDQ-UHFFFAOYSA-N -1 3 367.388 3.053 20 0 FGADHM CC(C)Oc1ccc(F)cc1NCc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000824324245 608859595 /nfs/dbraw/zinc/85/95/95/608859595.db2.gz JVQBBFKIAGSNDQ-UHFFFAOYSA-N -1 3 367.388 3.053 20 0 FGADHM Clc1ccccc1Cn1cc(CNc2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000826353539 608868801 /nfs/dbraw/zinc/86/88/01/608868801.db2.gz UGUJVACKIFCRCH-UHFFFAOYSA-N -1 3 365.828 3.377 20 0 FGADHM c1ccc(OCc2cccnc2)c(CNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826525780 608872929 /nfs/dbraw/zinc/87/29/29/608872929.db2.gz YXVLYCMZOFKOBZ-UHFFFAOYSA-N -1 3 358.405 3.453 20 0 FGADHM c1ccc(OCc2cccnc2)c(CNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826525780 608872932 /nfs/dbraw/zinc/87/29/32/608872932.db2.gz YXVLYCMZOFKOBZ-UHFFFAOYSA-N -1 3 358.405 3.453 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1ccc2cccc(Cl)c2n1 ZINC000826423646 609140006 /nfs/dbraw/zinc/14/00/06/609140006.db2.gz ZGHFUNGJZFESKL-UHFFFAOYSA-N -1 3 364.796 3.250 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1ccc2cccc(Cl)c2n1 ZINC000826423646 609140009 /nfs/dbraw/zinc/14/00/09/609140009.db2.gz ZGHFUNGJZFESKL-UHFFFAOYSA-N -1 3 364.796 3.250 20 0 FGADHM O=C(OCc1ccc(Cl)cc1-c1nnn[n-]1)c1nccc2ccccc21 ZINC000826465305 609156411 /nfs/dbraw/zinc/15/64/11/609156411.db2.gz HNGPOYDNINTKKW-UHFFFAOYSA-N -1 3 365.780 3.425 20 0 FGADHM O=C(OCc1ccc(Cl)cc1-c1nn[n-]n1)c1nccc2ccccc21 ZINC000826465305 609156412 /nfs/dbraw/zinc/15/64/12/609156412.db2.gz HNGPOYDNINTKKW-UHFFFAOYSA-N -1 3 365.780 3.425 20 0 FGADHM CCN(CC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000825394368 609164710 /nfs/dbraw/zinc/16/47/10/609164710.db2.gz APNXFFUQGVJSBY-UHFFFAOYSA-N -1 3 374.807 3.124 20 0 FGADHM CCN(CC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000825394368 609164712 /nfs/dbraw/zinc/16/47/12/609164712.db2.gz APNXFFUQGVJSBY-UHFFFAOYSA-N -1 3 374.807 3.124 20 0 FGADHM Fc1cc(Cl)cnc1NCc1nc(-c2cccc(-c3nnn[n-]3)c2)c[nH]1 ZINC000826372070 609166707 /nfs/dbraw/zinc/16/67/07/609166707.db2.gz GFYOYBCVAKSFRC-UHFFFAOYSA-N -1 3 370.779 3.056 20 0 FGADHM Fc1cc(Cl)cnc1NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1 ZINC000826372070 609166708 /nfs/dbraw/zinc/16/67/08/609166708.db2.gz GFYOYBCVAKSFRC-UHFFFAOYSA-N -1 3 370.779 3.056 20 0 FGADHM COCCOCc1cccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC000826160965 609176467 /nfs/dbraw/zinc/17/64/67/609176467.db2.gz OBKCFGITJSXNMP-ZDUSSCGKSA-N -1 3 371.416 3.342 20 0 FGADHM COCCOCc1cccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC000826160965 609176468 /nfs/dbraw/zinc/17/64/68/609176468.db2.gz OBKCFGITJSXNMP-ZDUSSCGKSA-N -1 3 371.416 3.342 20 0 FGADHM C[C@H](CC1CCCC1)Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1 ZINC000824400135 609241863 /nfs/dbraw/zinc/24/18/63/609241863.db2.gz AOABRYCJCABUCN-CQSZACIVSA-N -1 3 370.501 3.209 20 0 FGADHM C[C@H](CC1CCCC1)Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1 ZINC000824400135 609241865 /nfs/dbraw/zinc/24/18/65/609241865.db2.gz AOABRYCJCABUCN-CQSZACIVSA-N -1 3 370.501 3.209 20 0 FGADHM Cc1ccc(C(=O)N(C)C)cc1N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826281296 609275593 /nfs/dbraw/zinc/27/55/93/609275593.db2.gz LTNIAUIHCSSJJR-ZDUSSCGKSA-N -1 3 350.426 3.050 20 0 FGADHM Cc1ccc(C(=O)N(C)C)cc1N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826281296 609275594 /nfs/dbraw/zinc/27/55/94/609275594.db2.gz LTNIAUIHCSSJJR-ZDUSSCGKSA-N -1 3 350.426 3.050 20 0 FGADHM Cc1nn(-c2ccccc2)cc1NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000826332669 609284495 /nfs/dbraw/zinc/28/44/95/609284495.db2.gz BYTRGGQUOPFSCI-QXMHVHEDSA-N -1 3 371.404 3.013 20 0 FGADHM Cc1nn(-c2ccccc2)cc1NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000826332669 609284496 /nfs/dbraw/zinc/28/44/96/609284496.db2.gz BYTRGGQUOPFSCI-QXMHVHEDSA-N -1 3 371.404 3.013 20 0 FGADHM C[C@@H](Cc1ccccc1F)NC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000824457514 609289785 /nfs/dbraw/zinc/28/97/85/609289785.db2.gz OKCGKOLZBYJMKG-JTQLQIEISA-N -1 3 359.792 3.020 20 0 FGADHM C[C@@H](Cc1ccccc1F)NC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000824457514 609289786 /nfs/dbraw/zinc/28/97/86/609289786.db2.gz OKCGKOLZBYJMKG-JTQLQIEISA-N -1 3 359.792 3.020 20 0 FGADHM CCC1(C(=O)Nc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)CCCC1 ZINC000825164744 609292352 /nfs/dbraw/zinc/29/23/52/609292352.db2.gz ICOINHVFCMBHOD-UHFFFAOYSA-N -1 3 369.404 3.100 20 0 FGADHM CC[C@H](C)n1nc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCC3)cc1C ZINC000825081724 609303844 /nfs/dbraw/zinc/30/38/44/609303844.db2.gz MUSFASZRYJEBFT-VIFPVBQESA-N -1 3 371.470 3.145 20 0 FGADHM CC[C@H](C)n1nc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)cc1C ZINC000825081724 609303847 /nfs/dbraw/zinc/30/38/47/609303847.db2.gz MUSFASZRYJEBFT-VIFPVBQESA-N -1 3 371.470 3.145 20 0 FGADHM COCCC[C@@H](C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000826155581 609304331 /nfs/dbraw/zinc/30/43/31/609304331.db2.gz VARZVESAXRFLOH-LLVKDONJSA-N -1 3 363.487 3.198 20 0 FGADHM COCCC[C@@H](C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000826155581 609304332 /nfs/dbraw/zinc/30/43/32/609304332.db2.gz VARZVESAXRFLOH-LLVKDONJSA-N -1 3 363.487 3.198 20 0 FGADHM Cc1nnc(SCc2ncc(Cl)cc2Cl)c(-c2nnn[n-]2)c1C ZINC000826337655 609306356 /nfs/dbraw/zinc/30/63/56/609306356.db2.gz WAZQBTRMYCGYGB-UHFFFAOYSA-N -1 3 368.253 3.268 20 0 FGADHM Cc1nnc(SCc2ncc(Cl)cc2Cl)c(-c2nn[n-]n2)c1C ZINC000826337655 609306357 /nfs/dbraw/zinc/30/63/57/609306357.db2.gz WAZQBTRMYCGYGB-UHFFFAOYSA-N -1 3 368.253 3.268 20 0 FGADHM Cc1nnc(SCc2csc(C(C)(C)C)n2)c(-c2nnn[n-]2)c1C ZINC000826337395 609308798 /nfs/dbraw/zinc/30/87/98/609308798.db2.gz NDEVTCMALGDRRI-UHFFFAOYSA-N -1 3 361.500 3.320 20 0 FGADHM Cc1nnc(SCc2csc(C(C)(C)C)n2)c(-c2nn[n-]n2)c1C ZINC000826337395 609308799 /nfs/dbraw/zinc/30/87/99/609308799.db2.gz NDEVTCMALGDRRI-UHFFFAOYSA-N -1 3 361.500 3.320 20 0 FGADHM CC[C@H](C)n1nc(C(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)cc1C ZINC000825074045 609327424 /nfs/dbraw/zinc/32/74/24/609327424.db2.gz DAYVZRMHQNGYEN-JTQLQIEISA-N -1 3 373.848 3.273 20 0 FGADHM CC[C@H](C)n1nc(C(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)cc1C ZINC000825074045 609327425 /nfs/dbraw/zinc/32/74/25/609327425.db2.gz DAYVZRMHQNGYEN-JTQLQIEISA-N -1 3 373.848 3.273 20 0 FGADHM CCCOc1ncccc1CN[C@@H](C)c1ccc(-c2nnn[n-]2)cc1F ZINC000825341384 609329531 /nfs/dbraw/zinc/32/95/31/609329531.db2.gz BKUWGVNGKZIOHO-LBPRGKRZSA-N -1 3 356.405 3.040 20 0 FGADHM CCCOc1ncccc1CN[C@@H](C)c1ccc(-c2nn[n-]n2)cc1F ZINC000825341384 609329533 /nfs/dbraw/zinc/32/95/33/609329533.db2.gz BKUWGVNGKZIOHO-LBPRGKRZSA-N -1 3 356.405 3.040 20 0 FGADHM Cc1nc(CN[C@H](C)c2ccc(-c3nnn[n-]3)cc2F)nc2ccccc12 ZINC000826326268 609332504 /nfs/dbraw/zinc/33/25/04/609332504.db2.gz IJCYSDHEHCCEHB-LLVKDONJSA-N -1 3 363.400 3.108 20 0 FGADHM Cc1nc(CN[C@H](C)c2ccc(-c3nn[n-]n3)cc2F)nc2ccccc12 ZINC000826326268 609332506 /nfs/dbraw/zinc/33/25/06/609332506.db2.gz IJCYSDHEHCCEHB-LLVKDONJSA-N -1 3 363.400 3.108 20 0 FGADHM CCc1cccc(NCc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000825723184 609337450 /nfs/dbraw/zinc/33/74/50/609337450.db2.gz TWTKHHVWYGHOFH-UHFFFAOYSA-N -1 3 359.437 3.442 20 0 FGADHM CCc1cccc(NCc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000825723184 609337451 /nfs/dbraw/zinc/33/74/51/609337451.db2.gz TWTKHHVWYGHOFH-UHFFFAOYSA-N -1 3 359.437 3.442 20 0 FGADHM C[C@H](Nc1ccc(O[C@H]2CCOC2)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824658044 609347519 /nfs/dbraw/zinc/34/75/19/609347519.db2.gz UOBNKGSMZXQFIC-LRDDRELGSA-N -1 3 369.400 3.347 20 0 FGADHM C[C@H](Nc1ccc(O[C@H]2CCOC2)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824658044 609347520 /nfs/dbraw/zinc/34/75/20/609347520.db2.gz UOBNKGSMZXQFIC-LRDDRELGSA-N -1 3 369.400 3.347 20 0 FGADHM CCC(=O)[C@@H](C)OC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000825028406 609351361 /nfs/dbraw/zinc/35/13/61/609351361.db2.gz HYWNCMSVGBIXCR-GFCCVEGCSA-N -1 3 366.377 3.183 20 0 FGADHM CCC(=O)[C@@H](C)OC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000825028406 609351363 /nfs/dbraw/zinc/35/13/63/609351363.db2.gz HYWNCMSVGBIXCR-GFCCVEGCSA-N -1 3 366.377 3.183 20 0 FGADHM COC(=O)[C@H](Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)C1CC1 ZINC000826111333 609373357 /nfs/dbraw/zinc/37/33/57/609373357.db2.gz CZSOQFQWMWHAEU-QGZVFWFLSA-N -1 3 365.393 3.023 20 0 FGADHM COC(=O)[C@H](Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)C1CC1 ZINC000826111333 609373359 /nfs/dbraw/zinc/37/33/59/609373359.db2.gz CZSOQFQWMWHAEU-QGZVFWFLSA-N -1 3 365.393 3.023 20 0 FGADHM c1[nH]c(-c2nnn[n-]2)cc1-c1nc(-c2ccc(Oc3ccccc3)nc2)no1 ZINC000826522772 609412070 /nfs/dbraw/zinc/41/20/70/609412070.db2.gz NRXATPZOVHTJEX-UHFFFAOYSA-N -1 3 372.348 3.099 20 0 FGADHM c1[nH]c(-c2nn[n-]n2)cc1-c1nc(-c2ccc(Oc3ccccc3)nc2)no1 ZINC000826522772 609412071 /nfs/dbraw/zinc/41/20/71/609412071.db2.gz NRXATPZOVHTJEX-UHFFFAOYSA-N -1 3 372.348 3.099 20 0 FGADHM O=C(Nc1ccccc1COCc1ccccc1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826458017 609438479 /nfs/dbraw/zinc/43/84/79/609438479.db2.gz ZNMMVIBKTOEARW-UHFFFAOYSA-N -1 3 374.404 3.164 20 0 FGADHM O=C(Nc1ccccc1COCc1ccccc1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826458017 609438482 /nfs/dbraw/zinc/43/84/82/609438482.db2.gz ZNMMVIBKTOEARW-UHFFFAOYSA-N -1 3 374.404 3.164 20 0 FGADHM CCOC(=O)[C@@H](C)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825484877 609450619 /nfs/dbraw/zinc/45/06/19/609450619.db2.gz BLKMDHCPGDCRSE-UONOGXRCSA-N -1 3 365.437 3.136 20 0 FGADHM CCOC(=O)[C@@H](C)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825484877 609450621 /nfs/dbraw/zinc/45/06/21/609450621.db2.gz BLKMDHCPGDCRSE-UONOGXRCSA-N -1 3 365.437 3.136 20 0 FGADHM CCCCc1ccc2nc(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)sc2c1 ZINC000825296645 609456900 /nfs/dbraw/zinc/45/69/00/609456900.db2.gz RHIDRMFVIYXMOP-UHFFFAOYSA-N -1 3 367.438 3.399 20 0 FGADHM CCCCc1ccc2nc(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)sc2c1 ZINC000825296645 609456901 /nfs/dbraw/zinc/45/69/01/609456901.db2.gz RHIDRMFVIYXMOP-UHFFFAOYSA-N -1 3 367.438 3.399 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1sccc1COC ZINC000825332827 609465999 /nfs/dbraw/zinc/46/59/99/609465999.db2.gz MTRCCVQQBBYXBO-UHFFFAOYSA-N -1 3 372.454 3.149 20 0 FGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NCc1nn(C)c2ccccc12 ZINC000824323871 609477846 /nfs/dbraw/zinc/47/78/46/609477846.db2.gz CKEWQHWVSKPJBS-UHFFFAOYSA-N -1 3 363.425 3.153 20 0 FGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NCc1nn(C)c2ccccc12 ZINC000824323871 609477848 /nfs/dbraw/zinc/47/78/48/609477848.db2.gz CKEWQHWVSKPJBS-UHFFFAOYSA-N -1 3 363.425 3.153 20 0 FGADHM C[C@H]1CCC[C@H]1C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000824926656 609486462 /nfs/dbraw/zinc/48/64/62/609486462.db2.gz KSHNLLGLDYWRMI-BLLLJJGKSA-N -1 3 364.409 3.429 20 0 FGADHM C[C@H]1CCC[C@H]1C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000824926656 609486463 /nfs/dbraw/zinc/48/64/63/609486463.db2.gz KSHNLLGLDYWRMI-BLLLJJGKSA-N -1 3 364.409 3.429 20 0 FGADHM CCOC(=O)Nc1ccc(N[C@@H]2CCO[C@@H](C(C)C)C2)cc1-c1nnn[n-]1 ZINC000825552745 609487280 /nfs/dbraw/zinc/48/72/80/609487280.db2.gz DHSBWUPIRTYBRP-CZUORRHYSA-N -1 3 374.445 3.051 20 0 FGADHM CCOC(=O)Nc1ccc(N[C@@H]2CCO[C@@H](C(C)C)C2)cc1-c1nn[n-]n1 ZINC000825552745 609487282 /nfs/dbraw/zinc/48/72/82/609487282.db2.gz DHSBWUPIRTYBRP-CZUORRHYSA-N -1 3 374.445 3.051 20 0 FGADHM C[C@@H]1CCC[C@H]1C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000824928191 609489325 /nfs/dbraw/zinc/48/93/25/609489325.db2.gz SDMZMRAMJFLRNA-MLGOLLRUSA-N -1 3 364.409 3.429 20 0 FGADHM CCOC(=O)Nc1ccc(NCc2ccccc2F)cc1-c1nnn[n-]1 ZINC000825553548 609490839 /nfs/dbraw/zinc/49/08/39/609490839.db2.gz TZBAOHRSXQHFBG-UHFFFAOYSA-N -1 3 356.361 3.186 20 0 FGADHM CCOC(=O)Nc1ccc(NCc2ccccc2F)cc1-c1nn[n-]n1 ZINC000825553548 609490842 /nfs/dbraw/zinc/49/08/42/609490842.db2.gz TZBAOHRSXQHFBG-UHFFFAOYSA-N -1 3 356.361 3.186 20 0 FGADHM CC(C)Oc1ccc(NCc2ccc3c(c2)ncn3C)cc1-c1nnn[n-]1 ZINC000824329132 609492056 /nfs/dbraw/zinc/49/20/56/609492056.db2.gz JIRJWWWNVZJKNM-UHFFFAOYSA-N -1 3 363.425 3.153 20 0 FGADHM CC(C)Oc1ccc(NCc2ccc3c(c2)ncn3C)cc1-c1nn[n-]n1 ZINC000824329132 609492058 /nfs/dbraw/zinc/49/20/58/609492058.db2.gz JIRJWWWNVZJKNM-UHFFFAOYSA-N -1 3 363.425 3.153 20 0 FGADHM C[C@H]1CCC[C@H]1C(=O)Nc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000824925554 609512173 /nfs/dbraw/zinc/51/21/73/609512173.db2.gz FDHOXXBOEIDPBJ-CMPLNLGQSA-N -1 3 371.832 3.081 20 0 FGADHM CCC[C@@H]1C[C@H](C(=O)Nc2sc(C)c(CC)c2-c2nnn[n-]2)CCO1 ZINC000825253069 609555965 /nfs/dbraw/zinc/55/59/65/609555965.db2.gz LFRYXNRGMWNBDG-VXGBXAGGSA-N -1 3 363.487 3.333 20 0 FGADHM CCC[C@@H]1C[C@H](C(=O)Nc2sc(C)c(CC)c2-c2nn[n-]n2)CCO1 ZINC000825253069 609555967 /nfs/dbraw/zinc/55/59/67/609555967.db2.gz LFRYXNRGMWNBDG-VXGBXAGGSA-N -1 3 363.487 3.333 20 0 FGADHM COc1cccc(O[C@H](C)CNc2ncc(Cl)c(C)c2-c2nnn[n-]2)c1 ZINC000826217702 609561296 /nfs/dbraw/zinc/56/12/96/609561296.db2.gz YTQBEQNHVHLVPV-SNVBAGLBSA-N -1 3 374.832 3.112 20 0 FGADHM COc1cccc(O[C@H](C)CNc2ncc(Cl)c(C)c2-c2nn[n-]n2)c1 ZINC000826217702 609561299 /nfs/dbraw/zinc/56/12/99/609561299.db2.gz YTQBEQNHVHLVPV-SNVBAGLBSA-N -1 3 374.832 3.112 20 0 FGADHM Cc1c(Cl)cnc(NC[C@@H](C[C@@H](C)O)c2ccccc2)c1-c1nnn[n-]1 ZINC000826239349 609575303 /nfs/dbraw/zinc/57/53/03/609575303.db2.gz DWBLYLJWSWYEBB-BXUZGUMPSA-N -1 3 372.860 3.190 20 0 FGADHM Cc1c(Cl)cnc(NC[C@@H](C[C@@H](C)O)c2ccccc2)c1-c1nn[n-]n1 ZINC000826239349 609575306 /nfs/dbraw/zinc/57/53/06/609575306.db2.gz DWBLYLJWSWYEBB-BXUZGUMPSA-N -1 3 372.860 3.190 20 0 FGADHM Cc1c(Cl)cnc(N[C@H](C)C[C@@H](O)c2ccccc2)c1-c1nnn[n-]1 ZINC000826239164 609575696 /nfs/dbraw/zinc/57/56/96/609575696.db2.gz ZDBRVNOQYSJWEQ-QMTHXVAHSA-N -1 3 358.833 3.148 20 0 FGADHM Cc1c(Cl)cnc(N[C@H](C)C[C@@H](O)c2ccccc2)c1-c1nn[n-]n1 ZINC000826239164 609575699 /nfs/dbraw/zinc/57/56/99/609575699.db2.gz ZDBRVNOQYSJWEQ-QMTHXVAHSA-N -1 3 358.833 3.148 20 0 FGADHM Cc1cccc2nc(CNc3ncc(Cl)c(C)c3-c3nnn[n-]3)n(C)c21 ZINC000826240198 609577000 /nfs/dbraw/zinc/57/70/00/609577000.db2.gz IGSJOPGEFHUQEO-UHFFFAOYSA-N -1 3 368.832 3.031 20 0 FGADHM Cc1cccc2nc(CNc3ncc(Cl)c(C)c3-c3nn[n-]n3)n(C)c21 ZINC000826240198 609577002 /nfs/dbraw/zinc/57/70/02/609577002.db2.gz IGSJOPGEFHUQEO-UHFFFAOYSA-N -1 3 368.832 3.031 20 0 FGADHM Brc1cc(-c2nn[n-]n2)ccc1NCC[C@@H]1CCCCO1 ZINC000823826298 609580202 /nfs/dbraw/zinc/58/02/02/609580202.db2.gz GZOHNFZCSUDNFH-NSHDSACASA-N -1 3 352.236 3.000 20 0 FGADHM CCC[C@@H]1C[C@H](C(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)CCO1 ZINC000825254194 609593243 /nfs/dbraw/zinc/59/32/43/609593243.db2.gz RCRAGVMZWYJKAC-DGCLKSJQSA-N -1 3 363.849 3.078 20 0 FGADHM CCC[C@@H]1C[C@H](C(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)CCO1 ZINC000825254194 609593245 /nfs/dbraw/zinc/59/32/45/609593245.db2.gz RCRAGVMZWYJKAC-DGCLKSJQSA-N -1 3 363.849 3.078 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)c1ccc([C@H]2CCCOC2)cc1 ZINC000826453890 609594483 /nfs/dbraw/zinc/59/44/83/609594483.db2.gz CRZOMASQLUDJMB-AWEZNQCLSA-N -1 3 367.384 3.152 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)c1ccc([C@H]2CCCOC2)cc1 ZINC000826453890 609594485 /nfs/dbraw/zinc/59/44/85/609594485.db2.gz CRZOMASQLUDJMB-AWEZNQCLSA-N -1 3 367.384 3.152 20 0 FGADHM C[C@@H]1C[C@@H](CCNc2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)CCO1 ZINC000824886403 609596607 /nfs/dbraw/zinc/59/66/07/609596607.db2.gz YHSOQBKJSVMTKZ-MNOVXSKESA-N -1 3 374.395 3.310 20 0 FGADHM C[C@@H]1C[C@@H](CCNc2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)CCO1 ZINC000824886403 609596609 /nfs/dbraw/zinc/59/66/09/609596609.db2.gz YHSOQBKJSVMTKZ-MNOVXSKESA-N -1 3 374.395 3.310 20 0 FGADHM CON(Cc1ccccc1)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000826166261 609602938 /nfs/dbraw/zinc/60/29/38/609602938.db2.gz BQMPDIIWFRTWPP-UHFFFAOYSA-N -1 3 369.429 3.019 20 0 FGADHM CON(Cc1ccccc1)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000826166261 609602941 /nfs/dbraw/zinc/60/29/41/609602941.db2.gz BQMPDIIWFRTWPP-UHFFFAOYSA-N -1 3 369.429 3.019 20 0 FGADHM C[C@](NC(=O)c1cc(-c2nnn[n-]2)cs1)(c1ccccc1)C(F)(F)F ZINC000824513754 609604165 /nfs/dbraw/zinc/60/41/65/609604165.db2.gz HPNYYSJBFRXIBU-AWEZNQCLSA-N -1 3 367.356 3.136 20 0 FGADHM C[C@](NC(=O)c1cc(-c2nn[n-]n2)cs1)(c1ccccc1)C(F)(F)F ZINC000824513754 609604167 /nfs/dbraw/zinc/60/41/67/609604167.db2.gz HPNYYSJBFRXIBU-AWEZNQCLSA-N -1 3 367.356 3.136 20 0 FGADHM C[C@](NC(=O)c1sccc1-c1nnn[n-]1)(c1ccccc1)C(F)(F)F ZINC000824520734 609604717 /nfs/dbraw/zinc/60/47/17/609604717.db2.gz CQJNZORGDGIAJF-AWEZNQCLSA-N -1 3 367.356 3.136 20 0 FGADHM C[C@](NC(=O)c1sccc1-c1nn[n-]n1)(c1ccccc1)C(F)(F)F ZINC000824520734 609604718 /nfs/dbraw/zinc/60/47/18/609604718.db2.gz CQJNZORGDGIAJF-AWEZNQCLSA-N -1 3 367.356 3.136 20 0 FGADHM O=C(OCc1ccc(Cl)cc1-c1nnn[n-]1)[C@@H]1Cc2ccccc2S1 ZINC000826465355 609613767 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Cc1cc(C)n([C@@H](C)CC(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000826265180 609618645 /nfs/dbraw/zinc/61/86/45/609618645.db2.gz ORCWFBLCVWBDOI-LBPRGKRZSA-N -1 3 374.832 3.028 20 0 FGADHM Cc1cc(C)n([C@@H](C)CC(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000826265180 609618646 /nfs/dbraw/zinc/61/86/46/609618646.db2.gz ORCWFBLCVWBDOI-LBPRGKRZSA-N -1 3 374.832 3.028 20 0 FGADHM CCO[C@@H](CC(=O)OCc1ccc(Cl)cc1-c1nnn[n-]1)C(C)C ZINC000825577238 609618656 /nfs/dbraw/zinc/61/86/56/609618656.db2.gz UIEZJLIMMSSZTR-AWEZNQCLSA-N -1 3 352.822 3.015 20 0 FGADHM CCO[C@@H](CC(=O)OCc1ccc(Cl)cc1-c1nn[n-]n1)C(C)C ZINC000825577238 609618657 /nfs/dbraw/zinc/61/86/57/609618657.db2.gz UIEZJLIMMSSZTR-AWEZNQCLSA-N -1 3 352.822 3.015 20 0 FGADHM O=c1[nH][n-]cc1CCCNc1nn2cc(-c3ccc(Cl)cc3)nc2s1 ZINC000631362220 676942736 /nfs/dbraw/zinc/94/27/36/676942736.db2.gz QNLIFJRNYVBNFT-LLVKDONJSA-N -1 3 374.857 3.035 20 0 FGADHM COc1ccccc1[C@@H](C)NC(=O)COC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000011810247 695602784 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FGADHM Cc1cccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)c1 ZINC000046113761 695832853 /nfs/dbraw/zinc/83/28/53/695832853.db2.gz YPRWAYUTEWENJV-UHFFFAOYSA-N -1 3 350.415 3.073 20 0 FGADHM Cc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)c(F)c1 ZINC000046122603 695833437 /nfs/dbraw/zinc/83/34/37/695833437.db2.gz MHHXMFLUCRJNRZ-UHFFFAOYSA-N -1 3 368.405 3.212 20 0 FGADHM Cc1cc(F)ccc1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000046133611 695833578 /nfs/dbraw/zinc/83/35/78/695833578.db2.gz HBWNDEKWWKUARI-UHFFFAOYSA-N -1 3 368.405 3.212 20 0 FGADHM CCc1ccccc1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000046132126 695833613 /nfs/dbraw/zinc/83/36/13/695833613.db2.gz FPAFOPLIKDCASX-UHFFFAOYSA-N -1 3 364.442 3.327 20 0 FGADHM O=C([N-]c1nnc(C(F)F)s1)c1n[nH]c(C2CC2)c1Br ZINC000049175931 695892949 /nfs/dbraw/zinc/89/29/49/695892949.db2.gz WSUCDDJFJAKCMP-UHFFFAOYSA-N -1 3 364.175 3.091 20 0 FGADHM COc1cc[n-]c(=NNC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)n1 ZINC000068724946 695943569 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3 366.263 3.295 20 0 FGADHM COc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1nc(Br)cs1 ZINC000191851021 712845455 /nfs/dbraw/zinc/84/54/55/712845455.db2.gz SVELIQWLMAVPTE-UHFFFAOYSA-N -1 3 358.173 3.075 20 0 FGADHM CCCCc1nc(NC(=O)CSC(F)(F)F)c(C(=O)OCC)[n-]1 ZINC000191964393 712848443 /nfs/dbraw/zinc/84/84/43/712848443.db2.gz XGVLKNADELWPGD-UHFFFAOYSA-N -1 3 353.366 3.121 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]c2cc(CN(C)C)ccc2C)c(Cl)n1 ZINC000193831912 713501076 /nfs/dbraw/zinc/50/10/76/713501076.db2.gz AGDKNMZAWJWWCR-UHFFFAOYSA-N -1 3 353.875 3.214 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(F)c2)cc1F ZINC000194196411 713513778 /nfs/dbraw/zinc/51/37/78/713513778.db2.gz CIHOITAAKMVKMD-UHFFFAOYSA-N -1 3 368.405 3.374 20 0 FGADHM CCc1ccc([O-])c(C(=O)N2CCCN(C(=O)c3ccsc3)CC2)c1 ZINC000195446327 713556622 /nfs/dbraw/zinc/55/66/22/713556622.db2.gz IVQJSQMVKVRIGM-UHFFFAOYSA-N -1 3 358.463 3.004 20 0 FGADHM CN1CC[C@@H](NC(=O)c2cccc(O)c2[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000248705107 713657153 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CC(=O)Nc1ccc([O-])c(C(=O)NC[C@H]2CCCC[C@@H]2C(F)(F)F)c1 ZINC000674016613 721680086 /nfs/dbraw/zinc/68/00/86/721680086.db2.gz IZXKAXQHQBWWDF-RISCZKNCSA-N -1 3 358.360 3.449 20 0 FGADHM Cc1cc(F)c(S(=O)(=O)[N-]Cc2c(F)c(F)cc(F)c2F)cc1F ZINC000675609976 721762416 /nfs/dbraw/zinc/76/24/16/721762416.db2.gz ACMWBYSKPAMQBU-UHFFFAOYSA-N -1 3 369.286 3.308 20 0 FGADHM CCc1cc(=O)[n-]c(CN2CCc3sc(Br)cc3C2)n1 ZINC000676710006 721826626 /nfs/dbraw/zinc/82/66/26/721826626.db2.gz VUPMIQGZVCLYQS-UHFFFAOYSA-N -1 3 354.273 3.127 20 0 FGADHM O=S(=O)([N-]Cc1ccccc1C(F)(F)F)c1cncc(Cl)c1 ZINC000677238696 721874912 /nfs/dbraw/zinc/87/49/12/721874912.db2.gz FEOWLENLOGNNAJ-UHFFFAOYSA-N -1 3 350.749 3.232 20 0 FGADHM COc1cccc(C2(C[N-]S(=O)(=O)c3cnc(C)s3)CCCC2)c1 ZINC000677238864 721874961 /nfs/dbraw/zinc/87/49/61/721874961.db2.gz GNKOEOVWNCYTST-UHFFFAOYSA-N -1 3 366.508 3.250 20 0 FGADHM O=S(=O)(Cc1c(F)cccc1F)[N-][C@H]1COc2c1cccc2Cl ZINC000678037088 721934868 /nfs/dbraw/zinc/93/48/68/721934868.db2.gz 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722424169 /nfs/dbraw/zinc/42/41/69/722424169.db2.gz VWZCACUZZVUPPN-WDEREUQCSA-N -1 3 361.225 3.362 20 0 FGADHM CSc1ccc(COC(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)cc1 ZINC000725991649 722427654 /nfs/dbraw/zinc/42/76/54/722427654.db2.gz BCJVWFQZYZSHMT-UHFFFAOYSA-N -1 3 369.439 3.276 20 0 FGADHM CN1CCc2c(cccc2[N-]S(=O)(=O)c2cccc3ncccc32)C1 ZINC000726521172 722435839 /nfs/dbraw/zinc/43/58/39/722435839.db2.gz XDXOQWGXKZMMMK-UHFFFAOYSA-N -1 3 353.447 3.024 20 0 FGADHM Cc1ccccc1S(=O)(=O)[N-]c1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000727360209 722443790 /nfs/dbraw/zinc/44/37/90/722443790.db2.gz ZUIVWFCLAZEYOP-HZPDHXFCSA-N -1 3 360.479 3.409 20 0 FGADHM Cc1ncc([N-]S(=O)(=O)C2=Cc3ccc(OC(F)F)cc3CC2)cn1 ZINC000728509172 722452171 /nfs/dbraw/zinc/45/21/71/722452171.db2.gz IDLPWKAJWDKNAK-UHFFFAOYSA-N -1 3 367.377 3.115 20 0 FGADHM C[C@H](NC(=O)CNC(=O)c1ccc([O-])cc1)c1csc2ccccc21 ZINC000730034716 722464605 /nfs/dbraw/zinc/46/46/05/722464605.db2.gz CCNJHECPGDKJTQ-LBPRGKRZSA-N -1 3 354.431 3.214 20 0 FGADHM O=C(OCCOC(=O)c1cccc(Br)c1[O-])c1ccccc1 ZINC000730364969 722467877 /nfs/dbraw/zinc/46/78/77/722467877.db2.gz RMDOGFQUIRNBQY-UHFFFAOYSA-N -1 3 365.179 3.169 20 0 FGADHM Cc1cccc2nc(COC(=O)c3cccc(Br)c3[O-])cn21 ZINC000730364791 722467893 /nfs/dbraw/zinc/46/78/93/722467893.db2.gz OOWLLCDFGGJCQX-UHFFFAOYSA-N -1 3 361.195 3.468 20 0 FGADHM C[C@H]1CCCC[C@H]1NC(=O)COC(=O)c1cccc(Br)c1[O-] ZINC000730365601 722467953 /nfs/dbraw/zinc/46/79/53/722467953.db2.gz VKTGKYHUQFGTHX-GXFFZTMASA-N -1 3 370.243 3.006 20 0 FGADHM COC(=O)c1cc(COC(=O)c2cccc(Br)c2[O-])c(C)o1 ZINC000730366099 722467961 /nfs/dbraw/zinc/46/79/61/722467961.db2.gz ZHBICXHGMGIAGZ-UHFFFAOYSA-N -1 3 369.167 3.200 20 0 FGADHM CCC(CC)C[N-]S(=O)(=O)c1cc(Br)cc(F)c1OC ZINC000730813548 722471019 /nfs/dbraw/zinc/47/10/19/722471019.db2.gz JTTUXJCOYWWXIF-UHFFFAOYSA-N -1 3 368.268 3.311 20 0 FGADHM CCn1c(Sc2nc3ccccc3c(=O)[n-]2)nnc1-c1ccncc1 ZINC000731920186 722479400 /nfs/dbraw/zinc/47/94/00/722479400.db2.gz MRUJHRVOARDLLP-UHFFFAOYSA-N -1 3 350.407 3.160 20 0 FGADHM CCC(C)(CC)[N-]S(=O)(=O)c1cc(Br)cc(F)c1OC ZINC000733314977 722495514 /nfs/dbraw/zinc/49/55/14/722495514.db2.gz GXJHUGMFMIVNJE-UHFFFAOYSA-N -1 3 368.268 3.454 20 0 FGADHM COC(=O)[C@H](OC(=O)c1cc(-c2ccco2)[n-]n1)c1cccc(Cl)c1 ZINC000733820155 722501182 /nfs/dbraw/zinc/50/11/82/722501182.db2.gz ADYQRQSPJNRCST-OAHLLOKOSA-N -1 3 360.753 3.394 20 0 FGADHM COC(=O)[C@H](OC(=O)c1cc(-c2ccco2)n[n-]1)c1cccc(Cl)c1 ZINC000733820155 722501183 /nfs/dbraw/zinc/50/11/83/722501183.db2.gz ADYQRQSPJNRCST-OAHLLOKOSA-N -1 3 360.753 3.394 20 0 FGADHM C[C@@H]1CCC[C@H](C(=O)NCCSCc2ccccc2-c2nnn[n-]2)C1 ZINC000736243869 722522368 /nfs/dbraw/zinc/52/23/68/722522368.db2.gz AQXHASDPNFNJTE-KGLIPLIRSA-N -1 3 359.499 3.042 20 0 FGADHM C[C@@H]1CCC[C@H](C(=O)NCCSCc2ccccc2-c2nn[n-]n2)C1 ZINC000736243869 722522369 /nfs/dbraw/zinc/52/23/69/722522369.db2.gz AQXHASDPNFNJTE-KGLIPLIRSA-N -1 3 359.499 3.042 20 0 FGADHM O=S(=O)([N-][C@@H]1CCOc2c(Cl)cccc21)c1cccnc1Cl ZINC000738364121 722529921 /nfs/dbraw/zinc/52/99/21/722529921.db2.gz LUQIDXVYZMVJDM-LLVKDONJSA-N -1 3 359.234 3.191 20 0 FGADHM O=S(=O)([N-][C@H]1CCOc2c(Cl)cccc21)c1cccnc1Cl ZINC000738364123 722529930 /nfs/dbraw/zinc/52/99/30/722529930.db2.gz LUQIDXVYZMVJDM-NSHDSACASA-N -1 3 359.234 3.191 20 0 FGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)NC2C[C@@H](C)C[C@H](C)C2)ccc1F ZINC000739652991 722533601 /nfs/dbraw/zinc/53/36/01/722533601.db2.gz DCKCLZGPXAKORL-STQMWFEESA-N -1 3 370.490 3.067 20 0 FGADHM O=S(=O)(/C=C\c1ccc(Cl)cc1)[N-]c1cnn(-c2ccccn2)c1 ZINC000739675173 722533730 /nfs/dbraw/zinc/53/37/30/722533730.db2.gz XZWRIMANQQQKJG-NTMALXAHSA-N -1 3 360.826 3.333 20 0 FGADHM O=S(=O)([N-][C@H]1C[C@@H]1c1c(F)cccc1Cl)c1cccnc1Cl ZINC000740894886 722539263 /nfs/dbraw/zinc/53/92/63/722539263.db2.gz YOEJKUJAFUKXJH-KWQFWETISA-N -1 3 361.225 3.362 20 0 FGADHM O=S(=O)([N-][C@@H]1C[C@H]1c1c(F)cccc1Cl)c1cccnc1Cl ZINC000740894887 722539296 /nfs/dbraw/zinc/53/92/96/722539296.db2.gz YOEJKUJAFUKXJH-LDYMZIIASA-N -1 3 361.225 3.362 20 0 FGADHM Cc1sc2[n-]c([C@@H](C)OC(=O)CC3(O)CCCC3)nc(=O)c2c1C ZINC000740981161 722540534 /nfs/dbraw/zinc/54/05/34/722540534.db2.gz JNKIXAUEWJXWQM-SNVBAGLBSA-N -1 3 350.440 3.313 20 0 FGADHM O=C(OCCCF)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000741443862 722545991 /nfs/dbraw/zinc/54/59/91/722545991.db2.gz JPMJPNMPRZOJNU-UHFFFAOYSA-N -1 3 355.362 3.143 20 0 FGADHM CC(C)c1cccc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)cc2)c1 ZINC000742025693 722551398 /nfs/dbraw/zinc/55/13/98/722551398.db2.gz QSHMATJBCNSBSE-UHFFFAOYSA-N -1 3 360.479 3.447 20 0 FGADHM O=S(=O)([N-]c1c2nsnc2ccc1Cl)c1ccc2c(c1)CCO2 ZINC000742231962 722553643 /nfs/dbraw/zinc/55/36/43/722553643.db2.gz KJSNQQLIBFUFNX-UHFFFAOYSA-N -1 3 367.839 3.080 20 0 FGADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H](C)Cc2ccco2)s1 ZINC000742276073 722554336 /nfs/dbraw/zinc/55/43/36/722554336.db2.gz WNPASUSLLLUZGC-QMMMGPOBSA-N -1 3 364.286 3.322 20 0 FGADHM CS[C@H]1CC[C@@H]([N-]S(=O)(=O)c2cc(Br)ccc2F)C1 ZINC000742327616 722555520 /nfs/dbraw/zinc/55/55/20/722555520.db2.gz GOJTWAULOQDFHM-ZJUUUORDSA-N -1 3 368.293 3.151 20 0 FGADHM CSC(C)(C)C[N-]S(=O)(=O)c1sc(C)cc1Br ZINC000743343841 722565978 /nfs/dbraw/zinc/56/59/78/722565978.db2.gz VPMYNHPNABVMKH-UHFFFAOYSA-N -1 3 358.348 3.239 20 0 FGADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)CCn3cc(Cl)cn3)c2)n1 ZINC000744218917 722574670 /nfs/dbraw/zinc/57/46/70/722574670.db2.gz HLKGPWJGPLFBJP-UHFFFAOYSA-N -1 3 358.785 3.003 20 0 FGADHM COC(=O)c1ccc(OCCOC(=O)c2ccc([O-])cc2)c(Cl)c1 ZINC000744474666 722577434 /nfs/dbraw/zinc/57/74/34/722577434.db2.gz DJWWCAQPBKBSQZ-UHFFFAOYSA-N -1 3 350.754 3.068 20 0 FGADHM CCC(C)(C)CCOC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000744911687 722581456 /nfs/dbraw/zinc/58/14/56/722581456.db2.gz WLZRGQMMCLVDKA-UHFFFAOYSA-N -1 3 353.893 3.049 20 0 FGADHM O=C(OCc1cn2ccsc2n1)c1cccc(Br)c1[O-] ZINC000749189879 722719516 /nfs/dbraw/zinc/71/95/16/722719516.db2.gz VHQMNLYDQIIVLL-UHFFFAOYSA-N -1 3 353.197 3.221 20 0 FGADHM COc1ccc(Br)c(NC=C2C(=O)[N-]C(=O)c3ccccc32)c1 ZINC000749554570 722733053 /nfs/dbraw/zinc/73/30/53/722733053.db2.gz JMJPIHOVMAXKGW-UKTHLTGXSA-N -1 3 373.206 3.181 20 0 FGADHM CC[C@H](C)Oc1ccc(C(=O)OCC(=O)[N-]C(=O)c2cccs2)cc1 ZINC000750522410 722770699 /nfs/dbraw/zinc/77/06/99/722770699.db2.gz ISTCPOLOCNHYSD-LBPRGKRZSA-N -1 3 361.419 3.039 20 0 FGADHM COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-][C@H](C)CCCC(C)C ZINC000750954436 722787499 /nfs/dbraw/zinc/78/74/99/722787499.db2.gz IYGBZPDSQFZRID-LLVKDONJSA-N -1 3 362.879 3.015 20 0 FGADHM COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCCC[C@@H]1C(C)C ZINC000751067234 722793523 /nfs/dbraw/zinc/79/35/23/722793523.db2.gz OEGZOVPPZKXWKA-VXGBXAGGSA-N -1 3 374.890 3.015 20 0 FGADHM CCCCCOC(=O)c1c(Cl)ccc(S(=O)(=O)[N-]C)c1Cl ZINC000751688182 722820649 /nfs/dbraw/zinc/82/06/49/722820649.db2.gz ZDGHKPMDEKKLSX-UHFFFAOYSA-N -1 3 354.255 3.249 20 0 FGADHM CCCCC[C@@H]([N-]S(=O)(=O)C1=Cc2ccccc2CC1)C(=O)OC ZINC000751988178 722839817 /nfs/dbraw/zinc/83/98/17/722839817.db2.gz ILHDOJIUHOQJCC-QGZVFWFLSA-N -1 3 351.468 3.015 20 0 FGADHM O=C([N-][C@@H]1CCOc2c(Cl)c(Cl)ccc21)C(F)(F)C1(O)CCC1 ZINC000754480871 722939794 /nfs/dbraw/zinc/93/97/94/722939794.db2.gz NBKIRAOXXCXCHK-SNVBAGLBSA-N -1 3 366.191 3.484 20 0 FGADHM COCC[C@H](C)OC(=O)c1n[n-]c(-c2ccccc2)c1Br ZINC000754601030 722943204 /nfs/dbraw/zinc/94/32/04/722943204.db2.gz SRESYJIEUPTSGJ-JTQLQIEISA-N -1 3 353.216 3.421 20 0 FGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CC[C@@H](C)[C@H](C)C2)ccc1F ZINC000754695870 722944536 /nfs/dbraw/zinc/94/45/36/722944536.db2.gz CDAXLEBTMLDUPU-UMVBOHGHSA-N -1 3 370.490 3.067 20 0 FGADHM CSc1nc(NC(=O)Cc2ccccc2NC(=O)OC(C)(C)C)n[n-]1 ZINC000755792005 722957023 /nfs/dbraw/zinc/95/70/23/722957023.db2.gz WXILNANYLDTUNN-UHFFFAOYSA-N -1 3 363.443 3.055 20 0 FGADHM COC(=O)[C@@H]([N-]S(=O)(=O)C1=Cc2ccccc2CC1)C1CCCCC1 ZINC000756217974 722961923 /nfs/dbraw/zinc/96/19/23/722961923.db2.gz ZEZHVOBYIKIZQD-SFHVURJKSA-N -1 3 363.479 3.015 20 0 FGADHM COc1cc(CN[C@H](C(=O)[O-])c2ccc(Cl)cc2)cc(OC)c1OC ZINC000756333898 722962956 /nfs/dbraw/zinc/96/29/56/722962956.db2.gz USDSOFZZJWJXHJ-INIZCTEOSA-N -1 3 365.813 3.281 20 0 FGADHM [O-]C(=NOCC(F)F)Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1 ZINC000759953926 723030710 /nfs/dbraw/zinc/03/07/10/723030710.db2.gz VIBLKRVCMKMBBB-UHFFFAOYSA-N -1 3 358.414 3.324 20 0 FGADHM O=C([N-]OCC(F)F)Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1 ZINC000759953926 723030711 /nfs/dbraw/zinc/03/07/11/723030711.db2.gz VIBLKRVCMKMBBB-UHFFFAOYSA-N -1 3 358.414 3.324 20 0 FGADHM CCCOC(=O)c1ccc(S(=O)(=O)[N-]C2(C(F)(F)F)CCC2)cc1 ZINC000760614570 723071790 /nfs/dbraw/zinc/07/17/90/723071790.db2.gz GLHUEJVCKPDIJV-UHFFFAOYSA-N -1 3 365.373 3.017 20 0 FGADHM CCC1(CNC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)CCCC1 ZINC000760720225 723086501 /nfs/dbraw/zinc/08/65/01/723086501.db2.gz WYBAACYHINHWRY-UHFFFAOYSA-N -1 3 370.490 3.213 20 0 FGADHM O=C(COC(=O)c1cccc2nn[n-]c21)Nc1c(Cl)cccc1Cl ZINC000790073756 723102876 /nfs/dbraw/zinc/10/28/76/723102876.db2.gz MFKBBBCLUMRPLM-UHFFFAOYSA-N -1 3 365.176 3.060 20 0 FGADHM O=C(COC(=O)c1cccc2[n-]nnc21)Nc1c(Cl)cccc1Cl ZINC000790073756 723102880 /nfs/dbraw/zinc/10/28/80/723102880.db2.gz MFKBBBCLUMRPLM-UHFFFAOYSA-N -1 3 365.176 3.060 20 0 FGADHM O=C(COC(=O)c1cccc2n[n-]nc21)Nc1c(Cl)cccc1Cl ZINC000790073756 723102883 /nfs/dbraw/zinc/10/28/83/723102883.db2.gz MFKBBBCLUMRPLM-UHFFFAOYSA-N -1 3 365.176 3.060 20 0 FGADHM COc1ccc([C@H]2NC(=O)c3c(C)cccc3N2)c(Br)c1[O-] ZINC000761010474 723112692 /nfs/dbraw/zinc/11/26/92/723112692.db2.gz JFRZOKBQWNVFPL-OAHLLOKOSA-N -1 3 363.211 3.326 20 0 FGADHM Cc1c(Cl)cc(F)c([N-]S(=O)(=O)c2cn(C)c(Cl)n2)c1F ZINC000761291635 723140883 /nfs/dbraw/zinc/14/08/83/723140883.db2.gz NCODHKYAOMXXEB-UHFFFAOYSA-N -1 3 356.181 3.114 20 0 FGADHM COc1cc(C(=O)OCCOc2ccc(Cl)c(F)c2)cc(OC)c1[O-] ZINC000791424465 723242137 /nfs/dbraw/zinc/24/21/37/723242137.db2.gz UJEZFXXFEAYJLE-UHFFFAOYSA-N -1 3 370.760 3.438 20 0 FGADHM Cc1ccc(F)c(N2CCC[C@H](SCc3nc(C)cc(=O)[n-]3)C2=O)c1 ZINC000763207971 723322414 /nfs/dbraw/zinc/32/24/14/723322414.db2.gz FVDFAKYBWNQLEG-HNNXBMFYSA-N -1 3 361.442 3.367 20 0 FGADHM COC[C@@H](C)n1c(C)cc(C(=O)CSCc2nc(C)cc(=O)[n-]2)c1C ZINC000763215965 723323474 /nfs/dbraw/zinc/32/34/74/723323474.db2.gz MPDXUMVMJAEIGJ-CYBMUJFWSA-N -1 3 363.483 3.232 20 0 FGADHM CC(=O)OCCc1cccc([N-]S(=O)(=O)c2ccc(F)cc2C)c1 ZINC000763383170 723339413 /nfs/dbraw/zinc/33/94/13/723339413.db2.gz PPRKEIPQLZKQCE-UHFFFAOYSA-N -1 3 351.399 3.041 20 0 FGADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H]1c2ccccc2CCC[C@@H]1C ZINC000765157127 723486418 /nfs/dbraw/zinc/48/64/18/723486418.db2.gz AEQZNKBIJFDAMZ-XHDPSFHLSA-N -1 3 367.902 3.374 20 0 FGADHM C[C@H]1CC[C@@H](CNC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)C1 ZINC000794263308 723503713 /nfs/dbraw/zinc/50/37/13/723503713.db2.gz NMZOIRVGEVNUKB-QWHCGFSZSA-N -1 3 370.490 3.069 20 0 FGADHM O=c1cc(CN2CCCCC[C@H]2CCO)c2cc(Cl)c([O-])cc2o1 ZINC000794584810 723533325 /nfs/dbraw/zinc/53/33/25/723533325.db2.gz HJEYVSSSJACKOF-ZDUSSCGKSA-N -1 3 351.830 3.279 20 0 FGADHM COC(=O)c1ccc([N-]S(=O)(=O)/C=C/c2ccc(C)cc2)cc1OC ZINC000794608172 723534833 /nfs/dbraw/zinc/53/48/33/723534833.db2.gz IPRBYCQTRFABCK-ZHACJKMWSA-N -1 3 361.419 3.203 20 0 FGADHM COc1ccc2c(c1)CCC[C@@H]2C[N-]S(=O)(=O)c1cccnc1Cl ZINC000766080989 723554507 /nfs/dbraw/zinc/55/45/07/723554507.db2.gz QGSQPIGUFFVEOL-CYBMUJFWSA-N -1 3 366.870 3.142 20 0 FGADHM CCC[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1F)[C@@H](O)c1ccccc1 ZINC000795233777 723574547 /nfs/dbraw/zinc/57/45/47/723574547.db2.gz CLYPKGVZDVNVEL-WBVHZDCISA-N -1 3 355.406 3.145 20 0 FGADHM Cc1cc(=O)[n-]c(CSCC2CCN(C(=O)OC(C)(C)C)CC2)n1 ZINC000767223942 723610937 /nfs/dbraw/zinc/61/09/37/723610937.db2.gz XJQQQXVJZOKNHQ-UHFFFAOYSA-N -1 3 353.488 3.371 20 0 FGADHM CCc1ccc([C@@H](O)C[N-]S(=O)(=O)c2cc(C)c(Cl)s2)cc1 ZINC000796017107 723617692 /nfs/dbraw/zinc/61/76/92/723617692.db2.gz YZMNIWMIWUGBSU-ZDUSSCGKSA-N -1 3 359.900 3.284 20 0 FGADHM COc1ccc([C@@H](C)COC(=O)c2ccc([N-]S(C)(=O)=O)cc2)cc1 ZINC000768825590 723668254 /nfs/dbraw/zinc/66/82/54/723668254.db2.gz KLQJBEZQHLFLKX-ZDUSSCGKSA-N -1 3 363.435 3.027 20 0 FGADHM O=S(=O)(C=Cc1cccc(Cl)c1)[N-]N=c1nc[nH]c2ccsc21 ZINC000768891213 723671399 /nfs/dbraw/zinc/67/13/99/723671399.db2.gz ZQZOLHXVLMYCGS-FNORWQNLSA-N -1 3 366.855 3.262 20 0 FGADHM Cc1cc(Cl)ccc1COC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000769066839 723676063 /nfs/dbraw/zinc/67/60/63/723676063.db2.gz UPWMYMWYOBDOHF-UHFFFAOYSA-N -1 3 353.827 3.377 20 0 FGADHM C[C@H](CCSc1ccccc1)OC(=O)CNC(=O)c1ccc([O-])cc1 ZINC000770016779 723703443 /nfs/dbraw/zinc/70/34/43/723703443.db2.gz NBRKKPGOVHDSQT-CQSZACIVSA-N -1 3 359.447 3.236 20 0 FGADHM CC[C@@H]1CC[C@@H](C)N1C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000772450441 723759669 /nfs/dbraw/zinc/75/96/69/723759669.db2.gz XPQMSVYTNCDJPC-TZMCWYRMSA-N -1 3 370.490 3.306 20 0 FGADHM O=C(CCCCOc1ccc(Br)cc1)[N-]OC1CCOCC1 ZINC000772708983 723765893 /nfs/dbraw/zinc/76/58/93/723765893.db2.gz ARCKZOYCDPNBOM-UHFFFAOYSA-N -1 3 372.259 3.225 20 0 FGADHM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)ccc1F ZINC000773232514 723779644 /nfs/dbraw/zinc/77/96/44/723779644.db2.gz RAXALBNDMHJBIP-UHFFFAOYSA-N -1 3 367.398 3.200 20 0 FGADHM CCc1nn(C)cc1[N-]S(=O)(=O)/C=C\c1ccc(Br)cc1 ZINC000773255460 723780255 /nfs/dbraw/zinc/78/02/55/723780255.db2.gz KVKAGXQCGOEISA-HJWRWDBZSA-N -1 3 370.272 3.158 20 0 FGADHM Cc1cc(=O)[n-]c(CSCC(=O)N[C@H](c2ccc(F)cc2)C(C)C)n1 ZINC000773450116 723787041 /nfs/dbraw/zinc/78/70/41/723787041.db2.gz XANLKMLFAAMOBE-SFHVURJKSA-N -1 3 363.458 3.376 20 0 FGADHM C[S@@](=O)c1ccc(CC(=O)[N-]OCc2ccc(C(F)(F)F)cc2)cc1 ZINC000797948095 723889656 /nfs/dbraw/zinc/88/96/56/723889656.db2.gz LJUHJCSLGCRQNL-RUZDIDTESA-N -1 3 371.380 3.233 20 0 FGADHM C[C@@H](CCCC(F)(F)F)OC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000774728168 723924303 /nfs/dbraw/zinc/92/43/03/723924303.db2.gz DGRCTTUHKKNJFI-JTQLQIEISA-N -1 3 353.362 3.336 20 0 FGADHM Cc1cccc(NC(=S)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)c1C ZINC000798373746 723926508 /nfs/dbraw/zinc/92/65/08/723926508.db2.gz NSJQNHHJLOWWKN-UHFFFAOYSA-N -1 3 373.444 3.391 20 0 FGADHM CSc1ccc([C@@H](C)NC(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000798459768 723933918 /nfs/dbraw/zinc/93/39/18/723933918.db2.gz KRWZZFMGRZATGI-MRVPVSSYSA-N -1 3 359.377 3.106 20 0 FGADHM CC(C)C[C@H]1OCCC[C@H]1[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000774897087 723939801 /nfs/dbraw/zinc/93/98/01/723939801.db2.gz BNCRKHCGBBRZJV-CHWSQXEVSA-N -1 3 367.298 3.260 20 0 FGADHM COc1ccc([N-]S(=O)(=O)c2ccc3ncsc3c2)c(Cl)n1 ZINC000775169984 723967807 /nfs/dbraw/zinc/96/78/07/723967807.db2.gz KSLKADOHIZKQGJ-UHFFFAOYSA-N -1 3 355.828 3.154 20 0 FGADHM CC(C)(C)OC(=O)N1CC[C@@H](COC(=O)c2cccc(Cl)c2[O-])C1 ZINC000775933887 724085755 /nfs/dbraw/zinc/08/57/55/724085755.db2.gz KKVZTTGMZYOBSE-LLVKDONJSA-N -1 3 355.818 3.459 20 0 FGADHM O=C1CCCN1c1ccccc1[N-]S(=O)(=O)/C=C\c1ccccc1F ZINC000799915566 724111514 /nfs/dbraw/zinc/11/15/14/724111514.db2.gz BYWDKTJXEURGLT-QBFSEMIESA-N -1 3 360.410 3.365 20 0 FGADHM Cc1sc2[n-]c([C@H](C)OC(=O)[C@@H]3CCO[C@@H](C)C3)nc(=O)c2c1C ZINC000776410826 724141801 /nfs/dbraw/zinc/14/18/01/724141801.db2.gz NRRGLLKWEHDPEH-PTOFAABTSA-N -1 3 350.440 3.433 20 0 FGADHM O=C(OCc1cc(F)ccc1Br)c1cccc2nn[n-]c21 ZINC000800209514 724166918 /nfs/dbraw/zinc/16/69/18/724166918.db2.gz VUNGFTGHTFESEO-UHFFFAOYSA-N -1 3 350.147 3.217 20 0 FGADHM O=C(OCc1cc(F)ccc1Br)c1cccc2[n-]nnc21 ZINC000800209514 724166920 /nfs/dbraw/zinc/16/69/20/724166920.db2.gz VUNGFTGHTFESEO-UHFFFAOYSA-N -1 3 350.147 3.217 20 0 FGADHM O=C(OCc1cc(F)ccc1Br)c1cccc2n[n-]nc21 ZINC000800209514 724166922 /nfs/dbraw/zinc/16/69/22/724166922.db2.gz VUNGFTGHTFESEO-UHFFFAOYSA-N -1 3 350.147 3.217 20 0 FGADHM O=C([N-][C@]1(Cc2ccc(Cl)cc2)CCOC1)C(F)(F)c1nccs1 ZINC000800345874 724185176 /nfs/dbraw/zinc/18/51/76/724185176.db2.gz VPOQXAUMHZDMMA-HNNXBMFYSA-N -1 3 372.824 3.406 20 0 FGADHM C[N-]S(=O)(=O)c1cc(C(=O)O[C@H](C)c2ccccc2SC)c(C)o1 ZINC000800439688 724196147 /nfs/dbraw/zinc/19/61/47/724196147.db2.gz JAIGYJSHYKDNCQ-SNVBAGLBSA-N -1 3 369.464 3.136 20 0 FGADHM CC(Cl)(Cl)C(=O)Nc1cc(I)ccc1[O-] ZINC000777427974 724224801 /nfs/dbraw/zinc/22/48/01/724224801.db2.gz OGALQVWGNPAMIH-UHFFFAOYSA-N -1 3 359.978 3.129 20 0 FGADHM Cc1ccnc2c1cccc2S(=O)(=O)[N-]c1ccccc1CN(C)C ZINC000777667171 724248727 /nfs/dbraw/zinc/24/87/27/724248727.db2.gz BLIJLDOVUAFPQJ-UHFFFAOYSA-N -1 3 355.463 3.406 20 0 FGADHM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]CC(C)(C)C(F)(F)F)c1 ZINC000800943081 724252149 /nfs/dbraw/zinc/25/21/49/724252149.db2.gz QXMJACVENCWGDI-UHFFFAOYSA-N -1 3 357.781 3.409 20 0 FGADHM O=C(Cc1ccc(Cl)s1)OCc1noc(-c2ccccc2[O-])n1 ZINC000801485007 724306374 /nfs/dbraw/zinc/30/63/74/724306374.db2.gz UMPPVMHLWIOKQB-UHFFFAOYSA-N -1 3 350.783 3.443 20 0 FGADHM COC[C@@H]([N-]S(=O)(=O)c1cccnc1Cl)c1ccc(Cl)cc1 ZINC000785309603 724906217 /nfs/dbraw/zinc/90/62/17/724906217.db2.gz NIZCMKOPMMVFBP-GFCCVEGCSA-N -1 3 361.250 3.054 20 0 FGADHM CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1Cl ZINC000785531213 724919932 /nfs/dbraw/zinc/91/99/32/724919932.db2.gz NWFOGXBBJFMJHZ-UHFFFAOYSA-N -1 3 357.790 3.457 20 0 FGADHM CC(=O)Nc1ncccc1[N-]S(=O)(=O)/C=C/c1cccc(Cl)c1 ZINC000786184939 724965689 /nfs/dbraw/zinc/96/56/89/724965689.db2.gz LCRZPICCDMPRLH-VQHVLOKHSA-N -1 3 351.815 3.106 20 0 FGADHM COc1cccc(C(=O)N2CCOc3ccc(Br)cc32)c1[O-] ZINC000786659369 724995782 /nfs/dbraw/zinc/99/57/82/724995782.db2.gz IQLFRPHXKGASJD-UHFFFAOYSA-N -1 3 364.195 3.203 20 0 FGADHM CCS[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000805028507 725044863 /nfs/dbraw/zinc/04/48/63/725044863.db2.gz HDAWTJRFXQKTRB-RYUDHWBXSA-N -1 3 352.884 3.217 20 0 FGADHM CCc1c(NC(=O)c2nnc3ccccc3c2[O-])onc1C(F)(F)F ZINC000788602033 725075113 /nfs/dbraw/zinc/07/51/13/725075113.db2.gz MCXSWZQRJCRGSD-UHFFFAOYSA-N -1 3 352.272 3.157 20 0 FGADHM COCc1cccc(CN2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)c1 ZINC000805786675 725095376 /nfs/dbraw/zinc/09/53/76/725095376.db2.gz YUHLCGTXSUHLQK-XEZPLFJOSA-N -1 3 358.404 3.110 20 0 FGADHM CCC(CC)[C@@H](C)C(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000807708601 725166630 /nfs/dbraw/zinc/16/66/30/725166630.db2.gz JFIPEJBVOKNZAJ-OPDFLTKYSA-N -1 3 350.425 3.363 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)[C@H](O)c1ccccc1 ZINC000808342901 725195694 /nfs/dbraw/zinc/19/56/94/725195694.db2.gz RIQLVQMYBWQWQZ-BONVTDFDSA-N -1 3 360.262 3.394 20 0 FGADHM COc1ccc(Sc2nsc([N-]C(=O)c3cccnc3F)n2)cc1 ZINC000808480535 725203212 /nfs/dbraw/zinc/20/32/12/725203212.db2.gz UHEMQEUOCMWGJA-UHFFFAOYSA-N -1 3 362.411 3.484 20 0 FGADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3cnn(CCF)c3)nc(=O)c2c1C ZINC000808571141 725207537 /nfs/dbraw/zinc/20/75/37/725207537.db2.gz BGWYOKLSADLTGC-VIFPVBQESA-N -1 3 364.402 3.098 20 0 FGADHM CCOC(=O)[C@@H]([N-]S(=O)(=O)Cc1ccc2ccccc2c1)C(C)(C)C ZINC000809824909 725271384 /nfs/dbraw/zinc/27/13/84/725271384.db2.gz JBPDASRZBGILSX-QGZVFWFLSA-N -1 3 363.479 3.237 20 0 FGADHM CC(C)(C)[C@@H]([N-]S(C)(=O)=O)C(=O)OCc1cc(Cl)cc(Cl)c1 ZINC000811156178 725348072 /nfs/dbraw/zinc/34/80/72/725348072.db2.gz SSMVTBVJKUSAMU-LBPRGKRZSA-N -1 3 368.282 3.001 20 0 FGADHM O=C(COC(=O)CCCc1ccccc1Cl)[N-]C(=O)c1cccs1 ZINC000811350580 725358960 /nfs/dbraw/zinc/35/89/60/725358960.db2.gz QXIDLTHJWSRJIX-UHFFFAOYSA-N -1 3 365.838 3.224 20 0 FGADHM CN(C(=O)COC(=O)c1cc2cc(Cl)sc2[n-]1)c1nccs1 ZINC000811394976 725361636 /nfs/dbraw/zinc/36/16/36/725361636.db2.gz OPTRPGFKOFCTSN-UHFFFAOYSA-N -1 3 355.828 3.159 20 0 FGADHM CC(C)(C)CCS(=O)(=O)[N-]N=c1[nH]cc(C(F)(F)F)cc1Cl ZINC000811675113 725376255 /nfs/dbraw/zinc/37/62/55/725376255.db2.gz FEWIHPVPIMDVFF-UHFFFAOYSA-N -1 3 359.801 3.436 20 0 FGADHM CCCCCC[C@@H](C)NC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000811855202 725383229 /nfs/dbraw/zinc/38/32/29/725383229.db2.gz XOGSHQPFNOTZIO-ZIAGYGMSSA-N -1 3 365.440 3.445 20 0 FGADHM O=C(CCC(=O)Nc1nnc(C2CCCCC2)s1)[N-]OC/C=C/Cl ZINC000812400157 725395797 /nfs/dbraw/zinc/39/57/97/725395797.db2.gz GHYWQBOIILUMRF-RUDMXATFSA-N -1 3 372.878 3.105 20 0 FGADHM CC(C)OCCO[N-]C(=O)Cc1ccccc1NC(=O)OC(C)(C)C ZINC000812804873 726813870 /nfs/dbraw/zinc/81/38/70/726813870.db2.gz UTLBQRLYWSSUBX-UHFFFAOYSA-N -1 3 352.431 3.049 20 0 FGADHM C[C@@H](NCc1cccc([O-])c1Cl)c1cccc(NS(C)(=O)=O)c1 ZINC000815121574 727041177 /nfs/dbraw/zinc/04/11/77/727041177.db2.gz WFOTYIXQKMRMIE-LLVKDONJSA-N -1 3 354.859 3.268 20 0 FGADHM COC(=O)c1cc(C(=O)OCCc2cscc2Br)c[n-]1 ZINC000816072906 727121998 /nfs/dbraw/zinc/12/19/98/727121998.db2.gz CYFHAOAPFKZTOL-UHFFFAOYSA-N -1 3 358.213 3.025 20 0 FGADHM CC(C)(O)CO[N-]C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 ZINC000816383914 727156298 /nfs/dbraw/zinc/15/62/98/727156298.db2.gz CJUHPLHABRWGPT-UHFFFAOYSA-N -1 3 373.236 3.400 20 0 FGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)NC(C)(C)C(C)(C)C)ccc1F ZINC000817219596 727230479 /nfs/dbraw/zinc/23/04/79/727230479.db2.gz DUSQALFJMRXEEJ-UHFFFAOYSA-N -1 3 358.479 3.067 20 0 FGADHM CO[C@H]1C[C@@H](CSc2nc3c(cnn3Cc3ccccc3)c(=O)[n-]2)C1 ZINC000871677595 735529393 /nfs/dbraw/zinc/52/93/93/735529393.db2.gz AAKQLNLIMCXJLB-OKILXGFUSA-N -1 3 356.451 3.097 20 0 FGADHM O=S(=O)([N-]c1cnc(Cl)cc1Cl)c1cnn(-c2ccccc2)c1 ZINC000820799119 729032437 /nfs/dbraw/zinc/03/24/37/729032437.db2.gz ZVCHLTHJVJCKNY-UHFFFAOYSA-N -1 3 369.233 3.375 20 0 FGADHM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(N=S(C)(C)=O)cc1 ZINC000821106550 729058575 /nfs/dbraw/zinc/05/85/75/729058575.db2.gz KENWEAZGPZDRSG-UHFFFAOYSA-N -1 3 356.444 3.294 20 0 FGADHM CCS[C@H]1CCC[C@@H]1Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000821457214 729089179 /nfs/dbraw/zinc/08/91/79/729089179.db2.gz VLDSPOBDZHIGPT-UWVGGRQHSA-N -1 3 358.393 3.367 20 0 FGADHM CCS[C@H]1CCC[C@@H]1Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000821457214 729089181 /nfs/dbraw/zinc/08/91/81/729089181.db2.gz VLDSPOBDZHIGPT-UWVGGRQHSA-N -1 3 358.393 3.367 20 0 FGADHM COc1ccc(Cl)cc1C(F)(F)C(=O)[N-][C@H]1C[C@@H](C)n2ccnc21 ZINC000821785242 729116591 /nfs/dbraw/zinc/11/65/91/729116591.db2.gz BEVJHTNGICKSDE-SKDRFNHKSA-N -1 3 355.772 3.459 20 0 FGADHM COc1ccccc1CC(C)(C)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC000821890922 729129474 /nfs/dbraw/zinc/12/94/74/729129474.db2.gz RSFRDIHATXAKFF-UHFFFAOYSA-N -1 3 358.833 3.357 20 0 FGADHM COc1ccccc1CC(C)(C)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC000821890922 729129476 /nfs/dbraw/zinc/12/94/76/729129476.db2.gz RSFRDIHATXAKFF-UHFFFAOYSA-N -1 3 358.833 3.357 20 0 FGADHM CC(C)(C)OC(=O)N1CCc2sc(C(=O)[N-]c3nncs3)cc2C1 ZINC000822638698 729203984 /nfs/dbraw/zinc/20/39/84/729203984.db2.gz GXWNOZDPQGEENM-UHFFFAOYSA-N -1 3 366.468 3.145 20 0 FGADHM Brc1ccc(N2CC[C@@H](c3ccco3)C2)c(-c2nnn[n-]2)c1 ZINC000823826433 729307106 /nfs/dbraw/zinc/30/71/06/729307106.db2.gz IXQWPZMRXKGLDT-SNVBAGLBSA-N -1 3 360.215 3.216 20 0 FGADHM Brc1ccc(N2CC[C@@H](c3ccco3)C2)c(-c2nn[n-]n2)c1 ZINC000823826433 729307107 /nfs/dbraw/zinc/30/71/07/729307107.db2.gz IXQWPZMRXKGLDT-SNVBAGLBSA-N -1 3 360.215 3.216 20 0 FGADHM C[C@@H](NC(=S)Nc1ccccc1-c1nnn[n-]1)c1cccc(F)c1F ZINC000824531687 729345647 /nfs/dbraw/zinc/34/56/47/729345647.db2.gz QKRQFYIHHKOWIJ-SECBINFHSA-N -1 3 360.393 3.193 20 0 FGADHM C[C@@H](NC(=S)Nc1ccccc1-c1nn[n-]n1)c1cccc(F)c1F ZINC000824531687 729345650 /nfs/dbraw/zinc/34/56/50/729345650.db2.gz QKRQFYIHHKOWIJ-SECBINFHSA-N -1 3 360.393 3.193 20 0 FGADHM CCC[C@H](C)C(=O)Nc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000825234184 729375403 /nfs/dbraw/zinc/37/54/03/729375403.db2.gz WYSODOOMLKQOGA-JTQLQIEISA-N -1 3 359.821 3.081 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)CCCc1ccsc1 ZINC000825621156 729389667 /nfs/dbraw/zinc/38/96/67/729389667.db2.gz NVSMYLRZGGGKLE-UHFFFAOYSA-N -1 3 357.439 3.288 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)CCCc1ccsc1 ZINC000825621156 729389669 /nfs/dbraw/zinc/38/96/69/729389669.db2.gz NVSMYLRZGGGKLE-UHFFFAOYSA-N -1 3 357.439 3.288 20 0 FGADHM CCCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)NCc1ccc([O-])c(F)c1 ZINC000825980560 729401419 /nfs/dbraw/zinc/40/14/19/729401419.db2.gz DRZGMZLTDDVDTE-GFCCVEGCSA-N -1 3 354.422 3.183 20 0 FGADHM Cc1c(Cl)cnc(NCCc2cc3ccccc3[nH]2)c1-c1nnn[n-]1 ZINC000826240439 729406604 /nfs/dbraw/zinc/40/66/04/729406604.db2.gz SQERMMVNZLMIQS-UHFFFAOYSA-N -1 3 353.817 3.359 20 0 FGADHM Cc1c(Cl)cnc(NCCc2cc3ccccc3[nH]2)c1-c1nn[n-]n1 ZINC000826240439 729406606 /nfs/dbraw/zinc/40/66/06/729406606.db2.gz SQERMMVNZLMIQS-UHFFFAOYSA-N -1 3 353.817 3.359 20 0 FGADHM Cc1c(Cl)cnc(N[C@@H]2CCO[C@@H](C(C)(C)C)C2)c1-c1nnn[n-]1 ZINC000826239505 729406675 /nfs/dbraw/zinc/40/66/75/729406675.db2.gz JLIUMXRVDMJTRW-ZYHUDNBSSA-N -1 3 350.854 3.229 20 0 FGADHM Cc1c(Cl)cnc(N[C@@H]2CCO[C@@H](C(C)(C)C)C2)c1-c1nn[n-]n1 ZINC000826239505 729406676 /nfs/dbraw/zinc/40/66/76/729406676.db2.gz JLIUMXRVDMJTRW-ZYHUDNBSSA-N -1 3 350.854 3.229 20 0 FGADHM Cc1ccccc1[C@H](O)CNc1ccc(Br)cc1-c1nnn[n-]1 ZINC000826306035 729407072 /nfs/dbraw/zinc/40/70/72/729407072.db2.gz OMBAHNJSJVSAHW-OAHLLOKOSA-N -1 3 374.242 3.083 20 0 FGADHM Cc1ccccc1[C@H](O)CNc1ccc(Br)cc1-c1nn[n-]n1 ZINC000826306035 729407073 /nfs/dbraw/zinc/40/70/73/729407073.db2.gz OMBAHNJSJVSAHW-OAHLLOKOSA-N -1 3 374.242 3.083 20 0 FGADHM Clc1cc(-c2nn[n-]n2)ccc1-n1ccc(NCc2cccs2)n1 ZINC000826351027 729407394 /nfs/dbraw/zinc/40/73/94/729407394.db2.gz UZWXJGZUBMTCEP-UHFFFAOYSA-N -1 3 357.830 3.379 20 0 FGADHM Clc1ccc(CNc2ccc(Br)cc2-c2nnn[n-]2)cn1 ZINC000826351919 729407477 /nfs/dbraw/zinc/40/74/77/729407477.db2.gz HDLLXQXFPQYTGN-UHFFFAOYSA-N -1 3 365.622 3.290 20 0 FGADHM Clc1ccc(CNc2ccc(Br)cc2-c2nn[n-]n2)cn1 ZINC000826351919 729407478 /nfs/dbraw/zinc/40/74/78/729407478.db2.gz HDLLXQXFPQYTGN-UHFFFAOYSA-N -1 3 365.622 3.290 20 0 FGADHM Clc1ccc(CNc2ccc(Br)cc2-c2nnn[n-]2)nc1 ZINC000826352346 729407516 /nfs/dbraw/zinc/40/75/16/729407516.db2.gz XTLQMUGAWZDBDA-UHFFFAOYSA-N -1 3 365.622 3.290 20 0 FGADHM Clc1ccc(CNc2ccc(Br)cc2-c2nn[n-]n2)nc1 ZINC000826352346 729407518 /nfs/dbraw/zinc/40/75/18/729407518.db2.gz XTLQMUGAWZDBDA-UHFFFAOYSA-N -1 3 365.622 3.290 20 0 FGADHM Fc1ccc(NCc2cc(-c3nnn[n-]3)cs2)cc1Br ZINC000826375696 729407696 /nfs/dbraw/zinc/40/76/96/729407696.db2.gz YOCKIDILZIZIRM-UHFFFAOYSA-N -1 3 354.208 3.442 20 0 FGADHM Fc1ccc(NCc2cc(-c3nn[n-]n3)cs2)cc1Br ZINC000826375696 729407697 /nfs/dbraw/zinc/40/76/97/729407697.db2.gz YOCKIDILZIZIRM-UHFFFAOYSA-N -1 3 354.208 3.442 20 0 FGADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1F)c1cc(Cl)cc(Cl)n1 ZINC000826465058 729408079 /nfs/dbraw/zinc/40/80/79/729408079.db2.gz XBXGLBVFYPMWSJ-UHFFFAOYSA-N -1 3 368.155 3.065 20 0 FGADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1F)c1cc(Cl)cc(Cl)n1 ZINC000826465058 729408080 /nfs/dbraw/zinc/40/80/80/729408080.db2.gz XBXGLBVFYPMWSJ-UHFFFAOYSA-N -1 3 368.155 3.065 20 0 FGADHM O=C(O[C@H]1CCc2c1cc(Cl)cc2Cl)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826462845 729408143 /nfs/dbraw/zinc/40/81/43/729408143.db2.gz KQCYQXIYAVNYSC-ZDUSSCGKSA-N -1 3 364.192 3.346 20 0 FGADHM O=C(O[C@H]1CCc2c1cc(Cl)cc2Cl)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826462845 729408144 /nfs/dbraw/zinc/40/81/44/729408144.db2.gz KQCYQXIYAVNYSC-ZDUSSCGKSA-N -1 3 364.192 3.346 20 0 FGADHM O=[S@](CCSc1cccc(Cl)c1-c1nnn[n-]1)c1ccccc1 ZINC000826496243 729408384 /nfs/dbraw/zinc/40/83/84/729408384.db2.gz PKJPXXTVMRVXGX-HSZRJFAPSA-N -1 3 364.883 3.420 20 0 FGADHM O=[S@](CCSc1cccc(Cl)c1-c1nn[n-]n1)c1ccccc1 ZINC000826496243 729408386 /nfs/dbraw/zinc/40/83/86/729408386.db2.gz PKJPXXTVMRVXGX-HSZRJFAPSA-N -1 3 364.883 3.420 20 0 FGADHM O=C(Oc1ccc(F)c(Br)c1)c1cc(-c2nnn[n-]2)cs1 ZINC000826468141 729408435 /nfs/dbraw/zinc/40/84/35/729408435.db2.gz CCNZWJQUANVEAN-UHFFFAOYSA-N -1 3 369.175 3.049 20 0 FGADHM O=C(Oc1ccc(F)c(Br)c1)c1cc(-c2nn[n-]n2)cs1 ZINC000826468141 729408436 /nfs/dbraw/zinc/40/84/36/729408436.db2.gz CCNZWJQUANVEAN-UHFFFAOYSA-N -1 3 369.175 3.049 20 0 FGADHM Cc1cc(NC(=O)c2[n-]cnc2C(F)(F)F)ccc1C(=O)NC(C)C ZINC000826921616 729419154 /nfs/dbraw/zinc/41/91/54/729419154.db2.gz RCIMVPQLEJHMRB-UHFFFAOYSA-N -1 3 354.332 3.127 20 0 FGADHM Cc1cc(NC(=O)c2nc[n-]c2C(F)(F)F)ccc1C(=O)NC(C)C ZINC000826921616 729419156 /nfs/dbraw/zinc/41/91/56/729419156.db2.gz RCIMVPQLEJHMRB-UHFFFAOYSA-N -1 3 354.332 3.127 20 0 FGADHM O=C(Nc1ccc(N2CCSCC2)cc1)c1[n-]cnc1C(F)(F)F ZINC000828583894 729445438 /nfs/dbraw/zinc/44/54/38/729445438.db2.gz CKOCWYHLZACYJK-UHFFFAOYSA-N -1 3 356.373 3.234 20 0 FGADHM O=C(Nc1ccc(N2CCSCC2)cc1)c1nc[n-]c1C(F)(F)F ZINC000828583894 729445439 /nfs/dbraw/zinc/44/54/39/729445439.db2.gz CKOCWYHLZACYJK-UHFFFAOYSA-N -1 3 356.373 3.234 20 0 FGADHM COc1ccccc1CNC(=O)[C@H](C)OC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000828629059 729446004 /nfs/dbraw/zinc/44/60/04/729446004.db2.gz HWKLWZICFXSHRV-VIFPVBQESA-N -1 3 371.220 3.192 20 0 FGADHM Cc1cnc(CCCC(=O)[N-]OCc2ccc(F)cc2Br)o1 ZINC000829748768 729509039 /nfs/dbraw/zinc/50/90/39/729509039.db2.gz XEIYPCSZCOKBME-UHFFFAOYSA-N -1 3 371.206 3.455 20 0 FGADHM O=C(Nc1ccc2[nH]c(=O)n(C3CC3)c2c1)c1[n-]cnc1C(F)(F)F ZINC000830311989 729549429 /nfs/dbraw/zinc/54/94/29/729549429.db2.gz WAXONVFZESYTHM-UHFFFAOYSA-N -1 3 351.288 3.071 20 0 FGADHM O=C(Nc1ccc2[nH]c(=O)n(C3CC3)c2c1)c1nc[n-]c1C(F)(F)F ZINC000830311989 729549430 /nfs/dbraw/zinc/54/94/30/729549430.db2.gz WAXONVFZESYTHM-UHFFFAOYSA-N -1 3 351.288 3.071 20 0 FGADHM C[C@@H](CCCc1cccnc1)OC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000835932900 729928117 /nfs/dbraw/zinc/92/81/17/729928117.db2.gz SQFSRBRKEYUGHM-AWEZNQCLSA-N -1 3 362.451 3.021 20 0 FGADHM Cc1nc(NC([O-])=NO[C@H](CO)C(C)C)sc1Cc1ccc(C)cc1 ZINC000836597335 729962002 /nfs/dbraw/zinc/96/20/02/729962002.db2.gz BXJGJRIUBADBKZ-OAHLLOKOSA-N -1 3 363.483 3.421 20 0 FGADHM Cc1nc(NC(=O)[N-]O[C@H](CO)C(C)C)sc1Cc1ccc(C)cc1 ZINC000836597335 729962003 /nfs/dbraw/zinc/96/20/03/729962003.db2.gz BXJGJRIUBADBKZ-OAHLLOKOSA-N -1 3 363.483 3.421 20 0 FGADHM Cc1nc(NC([O-])=NO[C@H](CO)C(C)C)sc1Cc1cccc(F)c1 ZINC000836754177 729968316 /nfs/dbraw/zinc/96/83/16/729968316.db2.gz AWSGWGRVKSRMLW-CQSZACIVSA-N -1 3 367.446 3.251 20 0 FGADHM Cc1nc(NC(=O)[N-]O[C@H](CO)C(C)C)sc1Cc1cccc(F)c1 ZINC000836754177 729968317 /nfs/dbraw/zinc/96/83/17/729968317.db2.gz AWSGWGRVKSRMLW-CQSZACIVSA-N -1 3 367.446 3.251 20 0 FGADHM CC(C)[C@H](CO)O[N-]C(=O)CCCCOc1ccc(Br)cc1 ZINC000836896648 729973493 /nfs/dbraw/zinc/97/34/93/729973493.db2.gz RYHXAWWBCKIDDB-HNNXBMFYSA-N -1 3 374.275 3.063 20 0 FGADHM CC(C)(C)OC(=O)NC[C@H]1CC[C@H](NC(=O)c2cc([O-])ccc2Cl)C1 ZINC000837118869 729994789 /nfs/dbraw/zinc/99/47/89/729994789.db2.gz AGOSJMXOSBMYNB-RYUDHWBXSA-N -1 3 368.861 3.469 20 0 FGADHM Cc1ccc(-c2nc(C(=O)OCc3cc(=O)[n-]c(C4CC4)n3)cs2)o1 ZINC000837428287 730028792 /nfs/dbraw/zinc/02/87/92/730028792.db2.gz HRGINQGJWVGTLT-UHFFFAOYSA-N -1 3 357.391 3.442 20 0 FGADHM O=C(C[C@H]1CSCCS1)OCc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000837592582 730045109 /nfs/dbraw/zinc/04/51/09/730045109.db2.gz NOFITGMEZRVUFM-AWEZNQCLSA-N -1 3 362.476 3.131 20 0 FGADHM C[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@@H]2CCC[C@@H]2C(C)(C)C)ccc1F ZINC000841453001 730245208 /nfs/dbraw/zinc/24/52/08/730245208.db2.gz MREYAJZLVPHNLQ-DZGCQCFKSA-N -1 3 370.490 3.021 20 0 FGADHM O=c1cc(C[S@@](=O)CCOc2cccc(Cl)c2)nc(C2CC2)[n-]1 ZINC000841717229 730266380 /nfs/dbraw/zinc/26/63/80/730266380.db2.gz IOYCQEITSUXEPU-QHCPKHFHSA-N -1 3 352.843 3.041 20 0 FGADHM CCCSC[C@H](NCc1cc(Br)cnc1Cl)C(=O)[O-] ZINC000843303646 730606525 /nfs/dbraw/zinc/60/65/25/730606525.db2.gz CTOOIWYQJNGUFF-JTQLQIEISA-N -1 3 367.696 3.184 20 0 FGADHM CO[C@H](CC(=O)Oc1cccc(-c2nc(C)cc(=O)[n-]2)c1)C(F)(F)F ZINC000845478487 730855055 /nfs/dbraw/zinc/85/50/55/730855055.db2.gz YDFUJVLFGYPHRD-GFCCVEGCSA-N -1 3 356.300 3.030 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)[C@@](C)(O)c1ccccc1 ZINC000845975406 730914179 /nfs/dbraw/zinc/91/41/79/730914179.db2.gz BCBWTGGEYFONGJ-BDJLRTHQSA-N -1 3 357.834 3.054 20 0 FGADHM C[C@]1(CC[N-]S(=O)(=O)c2c(Cl)nc3sccn32)C[C@]1(F)Cl ZINC000845979466 730914798 /nfs/dbraw/zinc/91/47/98/730914798.db2.gz HKUAXYOGGGMCIL-WDEREUQCSA-N -1 3 372.274 3.032 20 0 FGADHM COC(=O)c1sc(S(=O)(=O)[N-]C2CC3(CCC3)C2)c(C)c1Cl ZINC000846033120 730922156 /nfs/dbraw/zinc/92/21/56/730922156.db2.gz JQBBHUMTGWMXBA-UHFFFAOYSA-N -1 3 363.888 3.108 20 0 FGADHM O=C([O-])[C@@]1(C(F)(F)F)CCN(C[C@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000846277254 730942773 /nfs/dbraw/zinc/94/27/73/730942773.db2.gz GDERUKPDRZDUAW-WCQYABFASA-N -1 3 371.277 3.078 20 0 FGADHM O=C([O-])[C@]1(c2ccccc2)CCN(Cc2cncc(Br)c2)C1 ZINC000846279460 730942970 /nfs/dbraw/zinc/94/29/70/730942970.db2.gz AKYVNBHCYRLGHC-QGZVFWFLSA-N -1 3 361.239 3.072 20 0 FGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCC23CCCC3)ccc1F ZINC000846306237 730945754 /nfs/dbraw/zinc/94/57/54/730945754.db2.gz VCEXGPPCVCAWBN-UHFFFAOYSA-N -1 3 368.474 3.061 20 0 FGADHM CC(C)(O)c1nnc([N-]Cc2oc3ccccc3c2Br)o1 ZINC000846776110 730979127 /nfs/dbraw/zinc/97/91/27/730979127.db2.gz KGTNJVWHABHVAJ-UHFFFAOYSA-N -1 3 352.188 3.418 20 0 FGADHM CC[C@H]([N-]C(=O)C(F)(F)c1ccccc1OC(C)C)[C@@H](O)C(F)(F)F ZINC000847632094 731072625 /nfs/dbraw/zinc/07/26/25/731072625.db2.gz OHGHDBCRWAQYAN-WCQYABFASA-N -1 3 369.330 3.384 20 0 FGADHM CCO/C=C\[C@@](O)(C[N-]C(=O)C(F)(F)c1ccc(C)cc1)C(F)(F)F ZINC000848180188 731139202 /nfs/dbraw/zinc/13/92/02/731139202.db2.gz VAEUEPJFIQKHKT-QIAWRQBBSA-N -1 3 367.314 3.047 20 0 FGADHM O=S(=O)([N-][C@@H](C[C@H]1CCCO1)C(F)(F)F)c1cccc2ncccc21 ZINC000848508941 731172829 /nfs/dbraw/zinc/17/28/29/731172829.db2.gz GCEWVXOQWKCTKI-ABAIWWIYSA-N -1 3 374.384 3.013 20 0 FGADHM COCc1ccc(-n2c([O-])c(CC(F)(F)F)[nH]c2=O)cc1C(F)(F)F ZINC000849235895 731237259 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/nfs/dbraw/zinc/58/56/84/505585684.db2.gz BZCVNSXTBYVJEG-SWLSCSKDSA-N -1 3 356.260 3.293 20 0 FGADHM O=C(c1csc(=NC2CC2)[n-]1)N1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000573659900 505590293 /nfs/dbraw/zinc/59/02/93/505590293.db2.gz VZIDCMOKHVSYSM-MRXNPFEDSA-N -1 3 367.478 3.383 20 0 FGADHM CC(C)(C)OC(=O)C1(C(=O)Nc2cc(Br)ccc2[O-])CC1 ZINC000573690471 505597595 /nfs/dbraw/zinc/59/75/95/505597595.db2.gz WXUBJTAMWLSSFT-UHFFFAOYSA-N -1 3 356.216 3.215 20 0 FGADHM Cn1cc2c(n1)CCC[C@@H]2[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000573693836 505598179 /nfs/dbraw/zinc/59/81/79/505598179.db2.gz MBXFDCDYTSUMKK-ZDUSSCGKSA-N -1 3 360.266 3.083 20 0 FGADHM O=C(Nc1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1F)[C@]12C[C@H]1CCC2 ZINC000579700288 505604200 /nfs/dbraw/zinc/60/42/00/505604200.db2.gz BICORHOXJJSAMM-JDNHERCYSA-N -1 3 372.849 3.049 20 0 FGADHM O=C([O-])c1ccc(OCCN2CCC([C@@H]3CCCO3)CC2)c(Cl)c1 ZINC000573733393 505607174 /nfs/dbraw/zinc/60/71/74/505607174.db2.gz HRDSSAZLCBJWLH-INIZCTEOSA-N -1 3 353.846 3.308 20 0 FGADHM O=C(N[C@H]1CCC[C@@H](c2nc3ccccc3[nH]2)C1)c1c([O-])cccc1O ZINC000579715172 505607445 /nfs/dbraw/zinc/60/74/45/505607445.db2.gz RFZCJEIWZDZLAS-OLZOCXBDSA-N -1 3 351.406 3.430 20 0 FGADHM COc1ccc(-n2c(CN3CCC[C@H]3CC(=O)[O-])nc3ccccc32)cc1 ZINC000579721767 505608948 /nfs/dbraw/zinc/60/89/48/505608948.db2.gz CCOCGEWKKARKSD-INIZCTEOSA-N -1 3 365.433 3.473 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)N1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000570894703 505605107 /nfs/dbraw/zinc/60/51/07/505605107.db2.gz FLQOEAASKQNOGQ-HXUWFJFHSA-N -1 3 356.397 3.211 20 0 FGADHM CN(CC1=Nc2ccccc2S(=O)(=O)[N-]1)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000570927367 505613766 /nfs/dbraw/zinc/61/37/66/505613766.db2.gz LDEUWWYCFIJHEV-AEFFLSMTSA-N -1 3 369.490 3.277 20 0 FGADHM C[C@@H]1CN(C(=O)NCc2ccc([O-])c(Br)c2)CC2(CCC2)O1 ZINC000573798869 505623941 /nfs/dbraw/zinc/62/39/41/505623941.db2.gz RWRUUXMYSHHSOX-LLVKDONJSA-N -1 3 369.259 3.008 20 0 FGADHM CN(C)Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2N(C)C)cc1 ZINC000570991061 505628297 /nfs/dbraw/zinc/62/82/97/505628297.db2.gz SLSXBQXEDVQVAJ-UHFFFAOYSA-N -1 3 367.902 3.268 20 0 FGADHM CC(=O)N(c1ccc(NC(=O)c2cc(C(F)(F)F)n[n-]2)cc1)[C@@H]1C[C@@H]1C ZINC000573831408 505630938 /nfs/dbraw/zinc/63/09/38/505630938.db2.gz GHLPLWGAQWDERG-LKFCYVNXSA-N -1 3 366.343 3.442 20 0 FGADHM CC(=O)N(c1ccc(NC(=O)c2cc(C(F)(F)F)[n-]n2)cc1)[C@@H]1C[C@@H]1C ZINC000573831408 505630941 /nfs/dbraw/zinc/63/09/41/505630941.db2.gz GHLPLWGAQWDERG-LKFCYVNXSA-N -1 3 366.343 3.442 20 0 FGADHM CO[C@@H](CS(=O)(=O)[N-]c1ccc(Oc2ccc(F)cc2)nc1)C1CC1 ZINC000573844836 505633672 /nfs/dbraw/zinc/63/36/72/505633672.db2.gz LXJSSQNHUXNOTG-INIZCTEOSA-N -1 3 366.414 3.180 20 0 FGADHM CC1(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)CCN(Cc2ccccc2)CC1 ZINC000573844783 505633747 /nfs/dbraw/zinc/63/37/47/505633747.db2.gz KVOVKJDXPANCJD-LJQANCHMSA-N -1 3 372.509 3.392 20 0 FGADHM Cc1noc(C2CC2)c1[N-]C(=O)c1nnn(-c2ccc(F)c(F)c2)c1C ZINC000571047839 505641163 /nfs/dbraw/zinc/64/11/63/505641163.db2.gz OPRUVJJASHHEAZ-UHFFFAOYSA-N -1 3 359.336 3.280 20 0 FGADHM Cc1ccnc([C@H]2CCN(C(=O)c3c[n-]c4c(F)cc(F)cc4c3=O)C2)c1 ZINC000568226943 505648139 /nfs/dbraw/zinc/64/81/39/505648139.db2.gz NVGILWJDSNNTIA-LBPRGKRZSA-N -1 3 369.371 3.139 20 0 FGADHM CCOc1ccncc1S(=O)(=O)[N-][C@H]1CCSc2ccc(F)cc21 ZINC000571085374 505650018 /nfs/dbraw/zinc/65/00/18/505650018.db2.gz KMBSSPUNALBYET-ZDUSSCGKSA-N -1 3 368.455 3.135 20 0 FGADHM Cc1ccc([C@H]2OCCC[C@H]2NC(=O)c2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC000573933341 505654533 /nfs/dbraw/zinc/65/45/33/505654533.db2.gz SPKIMQRFJPUIKY-CRAIPNDOSA-N -1 3 353.422 3.018 20 0 FGADHM COCC1(CN2Cc3cccc(Br)c3C[C@@H]2C(=O)[O-])CCC1 ZINC000573976521 505664890 /nfs/dbraw/zinc/66/48/90/505664890.db2.gz FNDIKGMYMPGJSY-OAHLLOKOSA-N -1 3 368.271 3.077 20 0 FGADHM CSCCc1ccc(NC(=O)c2ccc([N-]S(C)(=O)=O)cc2)cc1 ZINC000075715773 493771836 /nfs/dbraw/zinc/77/18/36/493771836.db2.gz CWSWHDKNHAHCMT-UHFFFAOYSA-N -1 3 364.492 3.216 20 0 FGADHM COc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])cc1Cl ZINC000048015314 493772354 /nfs/dbraw/zinc/77/23/54/493772354.db2.gz UEDDIFXWIAKFSX-OAHLLOKOSA-N -1 3 374.824 3.298 20 0 FGADHM Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)c1cccc(Br)c1 ZINC000028048213 493774624 /nfs/dbraw/zinc/77/46/24/493774624.db2.gz RENWHTKQECXJFU-MRVPVSSYSA-N -1 3 359.245 3.093 20 0 FGADHM Cc1cnc(C[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2C)s1 ZINC000080763622 493775480 /nfs/dbraw/zinc/77/54/80/493775480.db2.gz IPYAIIIWBRFGGS-UHFFFAOYSA-N -1 3 350.387 3.257 20 0 FGADHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(Cl)c(C(N)=O)c2)c(C)c1 ZINC000028258537 493782917 /nfs/dbraw/zinc/78/29/17/493782917.db2.gz YRWBDHJWGIJFMH-UHFFFAOYSA-N -1 3 352.843 3.165 20 0 FGADHM C[C@]12CCN(c3c(C(=O)[O-])cnc4cc5c(cc43)OCO5)C[C@H]1C2(F)F ZINC000571214587 505680863 /nfs/dbraw/zinc/68/08/63/505680863.db2.gz PCNYVBIBPZCGCN-PBHICJAKSA-N -1 3 362.332 3.143 20 0 FGADHM CCn1c2ccccc2nc1[C@@H](C)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000068295486 493792585 /nfs/dbraw/zinc/79/25/85/493792585.db2.gz BDIAJKCVCVMZJU-CYBMUJFWSA-N -1 3 360.417 3.389 20 0 FGADHM O=C(NC1CCCCC1)[C@@H]1CCCN(Cc2nc3ccsc3c(=O)[n-]2)C1 ZINC000068344529 493801231 /nfs/dbraw/zinc/80/12/31/493801231.db2.gz WYALXIKVKDQDNU-CYBMUJFWSA-N -1 3 374.510 3.058 20 0 FGADHM O=C([N-]c1c2ccccc2oc1C(=O)N1CCOCC1)c1ccc(Cl)o1 ZINC000028802844 493801831 /nfs/dbraw/zinc/80/18/31/493801831.db2.gz RTPQIPXIPCCPBD-UHFFFAOYSA-N -1 3 374.780 3.404 20 0 FGADHM CC(C)Oc1ccccc1CN1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000081011555 493812984 /nfs/dbraw/zinc/81/29/84/493812984.db2.gz HKXUXJXAYFUBOK-UHFFFAOYSA-N -1 3 354.450 3.137 20 0 FGADHM CC(C)c1ccc(C(=O)NCc2ccc(Cn3cncn3)cc2)c([O-])c1 ZINC000048508808 493833675 /nfs/dbraw/zinc/83/36/75/493833675.db2.gz GKDJJDMGQRWYMM-UHFFFAOYSA-N -1 3 350.422 3.085 20 0 FGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@H](C)CCC(C)C ZINC000068564116 493841676 /nfs/dbraw/zinc/84/16/76/493841676.db2.gz YCAYURZTMXZNLN-CQSZACIVSA-N -1 3 356.470 3.014 20 0 FGADHM COc1cc(C[NH2+][C@]2(C(=O)[O-])CCC[C@@H](C)C2)cc(Br)c1[O-] ZINC000574061044 505685222 /nfs/dbraw/zinc/68/52/22/505685222.db2.gz HTARKVPZNXZXQW-QLJPJBMISA-N -1 3 372.259 3.286 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)Cc3ccc(F)cc3)c2)n1 ZINC000049304364 493868868 /nfs/dbraw/zinc/86/88/68/493868868.db2.gz NHBZEHNGJYKEOY-UHFFFAOYSA-N -1 3 351.381 3.320 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H](C)Oc3ccccc3)c2)n1 ZINC000049302587 493869090 /nfs/dbraw/zinc/86/90/90/493869090.db2.gz CLYUWLOWVAONAE-AWEZNQCLSA-N -1 3 363.417 3.405 20 0 FGADHM CC[C@]1(C)CCCN(C(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)C1 ZINC000081320580 493869253 /nfs/dbraw/zinc/86/92/53/493869253.db2.gz HYTJDYOPESXNRI-OAQYLSRUSA-N -1 3 368.481 3.112 20 0 FGADHM CCCC(=O)N1CCC[C@H](C(=O)Nc2cc(C(F)(F)F)ccc2[O-])C1 ZINC000081458556 493897271 /nfs/dbraw/zinc/89/72/71/493897271.db2.gz LPAZNEAFDJTGRN-NSHDSACASA-N -1 3 358.360 3.388 20 0 FGADHM Cc1ccc([O-])c(C(=O)N2CCC[C@H](c3nnc4n3CCCCC4)C2)c1 ZINC000030582397 493899046 /nfs/dbraw/zinc/89/90/46/493899046.db2.gz BIVIQTVHHBDGQB-HNNXBMFYSA-N -1 3 354.454 3.038 20 0 FGADHM O=C(NCCCNC(=O)c1cccc([O-])c1)Nc1cccc2ccccc21 ZINC000060343689 493924181 /nfs/dbraw/zinc/92/41/81/493924181.db2.gz BLKCZCPJIQGATI-UHFFFAOYSA-N -1 3 363.417 3.487 20 0 FGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1cccc(OCCC(C)C)c1 ZINC000081592563 493924499 /nfs/dbraw/zinc/92/44/99/493924499.db2.gz JKALSMHXPUVHNE-UHFFFAOYSA-N -1 3 361.467 3.477 20 0 FGADHM O=C(Nc1cccc(OC[C@H]2CCCO2)c1)c1cc(-c2ccco2)[n-]n1 ZINC000031267822 493936255 /nfs/dbraw/zinc/93/62/55/493936255.db2.gz PXPFOMWMEDKGMU-OAHLLOKOSA-N -1 3 353.378 3.480 20 0 FGADHM O=C(Nc1cccc(OC[C@H]2CCCO2)c1)c1cc(-c2ccco2)n[n-]1 ZINC000031267822 493936260 /nfs/dbraw/zinc/93/62/60/493936260.db2.gz PXPFOMWMEDKGMU-OAHLLOKOSA-N -1 3 353.378 3.480 20 0 FGADHM O=c1cc(-c2noc([C@@H]3CCn4c(cnc4C4CCCCC4)C3)n2)nc[n-]1 ZINC000574082870 505690101 /nfs/dbraw/zinc/69/01/01/505690101.db2.gz UREGYNBICRBTIJ-CYBMUJFWSA-N -1 3 366.425 3.206 20 0 FGADHM CCc1cccc(C(=O)N2CCC(C(=O)NC3CCCCC3)CC2)c1[O-] ZINC000081776937 493952588 /nfs/dbraw/zinc/95/25/88/493952588.db2.gz FDXPJRZGZMUGJF-UHFFFAOYSA-N -1 3 358.482 3.256 20 0 FGADHM CCc1cccc(C(=O)N2CCC(NC(=O)CC3CCCC3)CC2)c1[O-] ZINC000081780197 493953775 /nfs/dbraw/zinc/95/37/75/493953775.db2.gz DIFQTCOZKHGWGB-UHFFFAOYSA-N -1 3 358.482 3.256 20 0 FGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCc2c(Cl)cccc2C1 ZINC000081802490 493956986 /nfs/dbraw/zinc/95/69/86/493956986.db2.gz HGZMKBQQABQFJY-UHFFFAOYSA-N -1 3 359.857 3.228 20 0 FGADHM CCc1ccc([C@@H](C)C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000069378514 493965371 /nfs/dbraw/zinc/96/53/71/493965371.db2.gz QILGPOVINDUCPN-MRXNPFEDSA-N -1 3 366.461 3.043 20 0 FGADHM Cc1ccc(C)c(C(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)c1 ZINC000076920715 493988941 /nfs/dbraw/zinc/98/89/41/493988941.db2.gz FLQRKGPTIHFEKG-UHFFFAOYSA-N -1 3 362.426 3.136 20 0 FGADHM C[C@@H](OC(=O)c1cccnc1)c1nc(=O)c2c3c(sc2[n-]1)C[C@H](C)CC3 ZINC000007042548 493995990 /nfs/dbraw/zinc/99/59/90/493995990.db2.gz XBDVVECZXKDQTK-GHMZBOCLSA-N -1 3 369.446 3.422 20 0 FGADHM C[C@H]1CN(Cc2cccc(CNC(=O)c3cc(Cl)ccc3[O-])c2)CCO1 ZINC000063103834 494028778 /nfs/dbraw/zinc/02/87/78/494028778.db2.gz KFVZFBHSIBBPAA-AWEZNQCLSA-N -1 3 374.868 3.196 20 0 FGADHM COc1ccccc1NC(=O)Cc1nc(=O)c2cc(C(C)(C)C)sc2[n-]1 ZINC000069981883 494033962 /nfs/dbraw/zinc/03/39/62/494033962.db2.gz KQGXCTSUARZLFN-UHFFFAOYSA-N -1 3 371.462 3.472 20 0 FGADHM Cc1ccc(C(=O)Nc2ccc(NC(=O)[C@@H]3CCCO3)cc2)c([O-])c1C ZINC000052563063 494040731 /nfs/dbraw/zinc/04/07/31/494040731.db2.gz SXSCHYXPZITYNW-KRWDZBQOSA-N -1 3 354.406 3.379 20 0 FGADHM Cc1cccc(CS(=O)(=O)[N-]c2cccc3c2OCC[C@@H]3N(C)C)c1 ZINC000577257899 505695949 /nfs/dbraw/zinc/69/59/49/505695949.db2.gz DRINYDYSSHBVPB-SFHVURJKSA-N -1 3 360.479 3.322 20 0 FGADHM Cc1ccnc2nc(C(=O)[N-]c3nc4c(ccc5c4CCCC5)s3)nn21 ZINC000070932777 494071354 /nfs/dbraw/zinc/07/13/54/494071354.db2.gz RQODDGXYNMWMRX-UHFFFAOYSA-N -1 3 364.434 3.174 20 0 FGADHM O=c1nc(Cc2ccc3c(c2)OCCO3)[n-]c2sc3ccccc3c21 ZINC000063837317 494092841 /nfs/dbraw/zinc/09/28/41/494092841.db2.gz MEDCVBRCLFVZDG-UHFFFAOYSA-N -1 3 350.399 3.500 20 0 FGADHM COc1ccc(C(=O)[N-]c2nnc(-c3ccco3)s2)c(OC)c1OC ZINC000053208217 494104362 /nfs/dbraw/zinc/10/43/62/494104362.db2.gz FXLZUZQRNMNGFO-UHFFFAOYSA-N -1 3 361.379 3.076 20 0 FGADHM CC(C)(C)[N-]S(=O)(=O)c1ccc(Br)cc1Br ZINC000037574442 494107011 /nfs/dbraw/zinc/10/70/11/494107011.db2.gz BEAWMUUHDILNGU-UHFFFAOYSA-N -1 3 371.094 3.288 20 0 FGADHM COC(=O)[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000084940242 494108713 /nfs/dbraw/zinc/10/87/13/494108713.db2.gz UTEJIZCJRMGNSB-SKDRFNHKSA-N -1 3 366.266 3.004 20 0 FGADHM CN(C)[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1F)c1ccccc1Cl ZINC000038630742 494115882 /nfs/dbraw/zinc/11/58/82/494115882.db2.gz IXUBYYWAKUHCGN-OAHLLOKOSA-N -1 3 374.840 3.199 20 0 FGADHM CCCCOCC[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000040507755 494143986 /nfs/dbraw/zinc/14/39/86/494143986.db2.gz NQTGVNNBAKMUDG-UHFFFAOYSA-N -1 3 370.696 3.198 20 0 FGADHM Cc1nc2ccccc2n1CC(=O)Nc1cccc(-c2nc(C)cc(=O)[n-]2)c1 ZINC000053470143 494136054 /nfs/dbraw/zinc/13/60/54/494136054.db2.gz BTSJSAURUPHMRG-UHFFFAOYSA-N -1 3 373.416 3.042 20 0 FGADHM O=C([N-]c1nc2ccc(F)cn2n1)c1cnc(-c2ccccc2F)s1 ZINC000085739286 494136766 /nfs/dbraw/zinc/13/67/66/494136766.db2.gz YWYWTEKUCCTLAZ-UHFFFAOYSA-N -1 3 357.345 3.383 20 0 FGADHM Cc1ccc(-c2nc(C(=O)[N-]c3n[nH]c(-c4ccccn4)n3)cs2)o1 ZINC000053527427 494142614 /nfs/dbraw/zinc/14/26/14/494142614.db2.gz AUXAUOIJDSMRPI-UHFFFAOYSA-N -1 3 352.379 3.144 20 0 FGADHM O=S(=O)([N-]Cc1nccs1)c1ccc(Br)cc1Cl ZINC000040437350 494143068 /nfs/dbraw/zinc/14/30/68/494143068.db2.gz YGEQQDJIYAEGEG-UHFFFAOYSA-N -1 3 367.677 3.038 20 0 FGADHM COc1ccc(C(=O)NCc2cc(Br)ccc2F)c([O-])c1 ZINC000041064811 494147519 /nfs/dbraw/zinc/14/75/19/494147519.db2.gz LRGVAFSFOVZPGH-UHFFFAOYSA-N -1 3 354.175 3.232 20 0 FGADHM CCOC(=O)Cc1csc(NC(=O)c2c[n-]nc2-c2ccc(F)cc2)n1 ZINC000010322986 494149078 /nfs/dbraw/zinc/14/90/78/494149078.db2.gz UQJOEQXPPMLQKT-UHFFFAOYSA-N -1 3 374.397 3.030 20 0 FGADHM COC(=O)c1sc2[n-]c(Cc3c[nH]c4ccccc34)nc(=O)c2c1C ZINC000053845493 494171688 /nfs/dbraw/zinc/17/16/88/494171688.db2.gz VOBRLAIVRKHJGX-UHFFFAOYSA-N -1 3 353.403 3.152 20 0 FGADHM Cc1nc(C2([N-]S(=O)(=O)c3ccc4ccccc4c3)CCCC2)no1 ZINC000041629038 494171772 /nfs/dbraw/zinc/17/17/72/494171772.db2.gz ILWANTDUFFQSLI-UHFFFAOYSA-N -1 3 357.435 3.279 20 0 FGADHM Cc1cc(NC(=O)c2n[n-]c(-c3ccccc3)c2Br)n(C)n1 ZINC000065108256 494173174 /nfs/dbraw/zinc/17/31/74/494173174.db2.gz KKBLQGAPDFOEJR-UHFFFAOYSA-N -1 3 360.215 3.133 20 0 FGADHM Cc1cc(NC(=O)c2[n-]nc(-c3ccccc3)c2Br)n(C)n1 ZINC000065108256 494173178 /nfs/dbraw/zinc/17/31/78/494173178.db2.gz KKBLQGAPDFOEJR-UHFFFAOYSA-N -1 3 360.215 3.133 20 0 FGADHM CCCc1nnc([N-]C(=O)c2n[nH]c(C3CC3)c2Br)s1 ZINC000065108803 494173243 /nfs/dbraw/zinc/17/32/43/494173243.db2.gz ZAZLRVBEIWEWFH-UHFFFAOYSA-N -1 3 356.249 3.106 20 0 FGADHM Cn1[n-]c([C@@H]2CCCN2C(=O)c2ccc(C3CCCCC3)cc2)nc1=N ZINC000577324046 505705366 /nfs/dbraw/zinc/70/53/66/505705366.db2.gz HKZQANSJIVDADZ-KRWDZBQOSA-N -1 3 353.470 3.253 20 0 FGADHM C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)c2ccc3n[n-]nc3c2)cc1 ZINC000065498652 494205984 /nfs/dbraw/zinc/20/59/84/494205984.db2.gz AAIOZZXFXNYCOW-CYBMUJFWSA-N -1 3 363.421 3.225 20 0 FGADHM C[C@@H](CCc1ccco1)[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000042271966 494212451 /nfs/dbraw/zinc/21/24/51/494212451.db2.gz VEECRAVORIWRLQ-VIFPVBQESA-N -1 3 364.286 3.403 20 0 FGADHM COCCOc1ccccc1CNC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000065618919 494220178 /nfs/dbraw/zinc/22/01/78/494220178.db2.gz DCHYLUSRGRFEQC-UHFFFAOYSA-N -1 3 355.434 3.226 20 0 FGADHM Cc1nc2ccc(NC(=O)Nc3ccc4c(c3)C(=O)[N-]C4=O)cc2s1 ZINC000065770421 494235728 /nfs/dbraw/zinc/23/57/28/494235728.db2.gz UYUZYCJZDCLXBV-UHFFFAOYSA-N -1 3 352.375 3.132 20 0 FGADHM CC(C)(C)[C@H](NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)c1ccccc1 ZINC000065799364 494239416 /nfs/dbraw/zinc/23/94/16/494239416.db2.gz BJNLEEFESDBWIW-MRXNPFEDSA-N -1 3 351.406 3.479 20 0 FGADHM C[C@H](OCCC[N-]S(=O)(=O)c1cc(F)cc(F)c1)c1ccccc1 ZINC000054533107 494243938 /nfs/dbraw/zinc/24/39/38/494243938.db2.gz KKHJOUDPIJSZQF-ZDUSSCGKSA-N -1 3 355.406 3.411 20 0 FGADHM CCn1c2ccccc2nc1[C@H](C)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000065927984 494256429 /nfs/dbraw/zinc/25/64/29/494256429.db2.gz BDIAJKCVCVMZJU-ZDUSSCGKSA-N -1 3 360.417 3.389 20 0 FGADHM CC(C)[C@@H](NC(=O)Cc1ccc(Br)cc1[O-])C1(CO)CCC1 ZINC000571344417 505711042 /nfs/dbraw/zinc/71/10/42/505711042.db2.gz ILEMCHGKIKUDSY-MRXNPFEDSA-N -1 3 370.287 3.001 20 0 FGADHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(CC(=O)N(C)C)cc2)c(C)c1 ZINC000013849440 494296536 /nfs/dbraw/zinc/29/65/36/494296536.db2.gz RXGXWUPVVASSLQ-UHFFFAOYSA-N -1 3 360.479 3.043 20 0 FGADHM COc1cc(Br)c(/C=C(\C#N)C(=O)NC2CCCC2)cc1[O-] ZINC000014178463 494307924 /nfs/dbraw/zinc/30/79/24/494307924.db2.gz HAOLTLDPCHTYBI-IZZDOVSWSA-N -1 3 365.227 3.129 20 0 FGADHM C[C@@H](CC(C)(C)c1ccccc1)NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000078497705 494308984 /nfs/dbraw/zinc/30/89/84/494308984.db2.gz JPITWOVAYNBZQS-ZDUSSCGKSA-N -1 3 350.418 3.056 20 0 FGADHM CCc1cnc(CCNc2ccc(-c3nc(CC)cc(=O)[n-]3)cn2)s1 ZINC000078513399 494311320 /nfs/dbraw/zinc/31/13/20/494311320.db2.gz PCUGZLFQOPQMBX-UHFFFAOYSA-N -1 3 355.467 3.068 20 0 FGADHM Cc1ccc(C)c(OCCC(=O)N(C)Cc2nc3ccsc3c(=O)[n-]2)c1 ZINC000014371707 494316259 /nfs/dbraw/zinc/31/62/59/494316259.db2.gz OCIKVYNKUWGBHL-UHFFFAOYSA-N -1 3 371.462 3.029 20 0 FGADHM CC(C)[C@H](NC(=O)c1ccc([N-]S(C)(=O)=O)cc1)c1ccc(F)cc1 ZINC000055385822 494335783 /nfs/dbraw/zinc/33/57/83/494335783.db2.gz AAKSBSDMEPNFHU-KRWDZBQOSA-N -1 3 364.442 3.324 20 0 FGADHM Cc1cccc(C(=O)N2CCC[C@@H](c3nnc4n3CCCCC4)C2)c1[O-] ZINC000078670882 494340262 /nfs/dbraw/zinc/34/02/62/494340262.db2.gz CKQKJSXKFXACKD-OAHLLOKOSA-N -1 3 354.454 3.038 20 0 FGADHM Cc1csc(C2([N-]S(=O)(=O)c3cc(F)cc(F)c3)CCCC2)n1 ZINC000078674360 494341115 /nfs/dbraw/zinc/34/11/15/494341115.db2.gz JPRRFUUEOPPUSJ-UHFFFAOYSA-N -1 3 358.435 3.478 20 0 FGADHM Cc1sc2[n-]c(CN(CCO)C(C)C)nc(=O)c2c1-c1ccc(C)cc1 ZINC000078720565 494348464 /nfs/dbraw/zinc/34/84/64/494348464.db2.gz NXPMEHMVCNQXGJ-UHFFFAOYSA-N -1 3 371.506 3.471 20 0 FGADHM NC(=O)CSc1ccccc1[N-]C(=O)c1cc(-c2cccs2)on1 ZINC000073301489 494352238 /nfs/dbraw/zinc/35/22/38/494352238.db2.gz WRJZRHXOZAAKHN-UHFFFAOYSA-N -1 3 359.432 3.233 20 0 FGADHM C[C@@H]1CCc2c(sc3[n-]c(CC(=O)NC4CCCCC4)nc(=O)c23)C1 ZINC000055494245 494353035 /nfs/dbraw/zinc/35/30/35/494353035.db2.gz FVNRSKIXEZSBLC-LLVKDONJSA-N -1 3 359.495 3.101 20 0 FGADHM Cc1ccc(-c2csc3[n-]c(CC(=O)NC(C)C)nc(=O)c23)c(C)c1 ZINC000055503018 494353869 /nfs/dbraw/zinc/35/38/69/494353869.db2.gz JGVKTWNGECFPJC-UHFFFAOYSA-N -1 3 355.463 3.336 20 0 FGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCc1cccc(C(F)(F)F)c1 ZINC000078793611 494362058 /nfs/dbraw/zinc/36/20/58/494362058.db2.gz XZUXKJFHTSCEEZ-UHFFFAOYSA-N -1 3 367.371 3.325 20 0 FGADHM CC[C@@H](C)n1ncc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)c1C1CC1 ZINC000089791575 494365598 /nfs/dbraw/zinc/36/55/98/494365598.db2.gz LIZFNAVUBXTPED-LLVKDONJSA-N -1 3 351.414 3.164 20 0 FGADHM CC[C@@H](C)n1ncc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)c1C1CC1 ZINC000089791575 494365602 /nfs/dbraw/zinc/36/56/02/494365602.db2.gz LIZFNAVUBXTPED-LLVKDONJSA-N -1 3 351.414 3.164 20 0 FGADHM Cc1nc(-c2ccco2)ccc1C(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000066606578 494365839 /nfs/dbraw/zinc/36/58/39/494365839.db2.gz CEJPWDXDUMPEOJ-UHFFFAOYSA-N -1 3 371.418 3.274 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2cccc(Oc3cnccn3)c2)c(C)c1 ZINC000055585967 494367073 /nfs/dbraw/zinc/36/70/73/494367073.db2.gz CNFIMAOETPYGLA-UHFFFAOYSA-N -1 3 371.418 3.387 20 0 FGADHM COCCOc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2)cc1 ZINC000055619397 494374386 /nfs/dbraw/zinc/37/43/86/494374386.db2.gz ZKVUPULHKBOSCL-UHFFFAOYSA-N -1 3 365.451 3.300 20 0 FGADHM NC(=O)CSc1ccccc1[N-]C(=O)c1cc(F)c(F)cc1Cl ZINC000078981604 494387946 /nfs/dbraw/zinc/38/79/46/494387946.db2.gz SDFNFDRQXUKTKF-UHFFFAOYSA-N -1 3 356.781 3.448 20 0 FGADHM O=C(c1c[n-]c2ccccc2c1=O)N1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000066706460 494390133 /nfs/dbraw/zinc/39/01/33/494390133.db2.gz OWJGRQWKBXPKRH-GOSISDBHSA-N -1 3 370.355 3.020 20 0 FGADHM O=C(Nc1ccnn1Cc1ccc(Cl)c(F)c1)c1ccc2n[n-]nc2c1 ZINC000066857953 494427427 /nfs/dbraw/zinc/42/74/27/494427427.db2.gz UMAXAGUXEACIKH-UHFFFAOYSA-N -1 3 370.775 3.248 20 0 FGADHM CCCC(=O)Nc1ccc(CNC(=O)c2cc(=O)c3ccccc3[n-]2)cc1 ZINC000055997477 494440236 /nfs/dbraw/zinc/44/02/36/494440236.db2.gz PPNKNFYUYQFQBB-UHFFFAOYSA-N -1 3 363.417 3.197 20 0 FGADHM O=C(NCc1ccoc1)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000045784464 494461918 /nfs/dbraw/zinc/46/19/18/494461918.db2.gz JHAXCSIVRPBCCD-UHFFFAOYSA-N -1 3 374.393 3.150 20 0 FGADHM COC(=O)CSCc1nc(=O)c2c(-c3ccc(C)s3)csc2[n-]1 ZINC000020066482 494466226 /nfs/dbraw/zinc/46/62/26/494466226.db2.gz WOUKNDIOLQKQMP-UHFFFAOYSA-N -1 3 366.489 3.428 20 0 FGADHM CO[C@H](CS(=O)(=O)[N-]c1cc(Br)ccc1Cl)C1CC1 ZINC000577395874 505719839 /nfs/dbraw/zinc/71/98/39/505719839.db2.gz PHRKWSOHINREHE-GFCCVEGCSA-N -1 3 368.680 3.269 20 0 FGADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)C(C)C)cc2)cc1 ZINC000020466034 494474973 /nfs/dbraw/zinc/47/49/73/494474973.db2.gz STALVCMHSVIOFX-UHFFFAOYSA-N -1 3 362.451 3.481 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C)COc2c(C)cccc2C)c1 ZINC000067147687 494484617 /nfs/dbraw/zinc/48/46/17/494484617.db2.gz CMSSWCUTANUXDI-AWEZNQCLSA-N -1 3 356.422 3.165 20 0 FGADHM Cc1ccc(-c2nnc(NC(=O)c3cnc(Oc4ccccc4)cn3)[n-]2)o1 ZINC000091248878 494573879 /nfs/dbraw/zinc/57/38/79/494573879.db2.gz LJLPRQAYQZRUIG-UHFFFAOYSA-N -1 3 362.349 3.208 20 0 FGADHM Cc1ccc(-c2n[n-]c(NC(=O)c3cnc(Oc4ccccc4)cn3)n2)o1 ZINC000091248878 494573882 /nfs/dbraw/zinc/57/38/82/494573882.db2.gz LJLPRQAYQZRUIG-UHFFFAOYSA-N -1 3 362.349 3.208 20 0 FGADHM O=C(N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)c1c([O-])cccc1O ZINC000091317834 494580997 /nfs/dbraw/zinc/58/09/97/494580997.db2.gz SVXRCLJAQYERCW-LRDDRELGSA-N -1 3 351.761 3.150 20 0 FGADHM O=C(Cc1csc(-c2ccccc2)n1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000121080601 494585087 /nfs/dbraw/zinc/58/50/87/494585087.db2.gz ANKQPQMKGAQGIS-UHFFFAOYSA-N -1 3 362.418 3.171 20 0 FGADHM O=C(Cc1csc(-c2ccccc2)n1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000121080601 494585096 /nfs/dbraw/zinc/58/50/96/494585096.db2.gz ANKQPQMKGAQGIS-UHFFFAOYSA-N -1 3 362.418 3.171 20 0 FGADHM CCc1nc(C[N-]S(=O)(=O)c2ccccc2OC(F)(F)F)cs1 ZINC000107704058 494587962 /nfs/dbraw/zinc/58/79/62/494587962.db2.gz NMSMQFHZYSKUED-UHFFFAOYSA-N -1 3 366.386 3.083 20 0 FGADHM Cc1ccc(-c2cnc(CCC(=O)Nc3ccc(-c4nnn[n-]4)cc3)o2)cc1 ZINC000121112356 494602285 /nfs/dbraw/zinc/60/22/85/494602285.db2.gz OIXIUNNMHKSCEW-UHFFFAOYSA-N -1 3 374.404 3.401 20 0 FGADHM Cc1ccc(-c2cnc(CCC(=O)Nc3ccc(-c4nn[n-]n4)cc3)o2)cc1 ZINC000121112356 494602293 /nfs/dbraw/zinc/60/22/93/494602293.db2.gz OIXIUNNMHKSCEW-UHFFFAOYSA-N -1 3 374.404 3.401 20 0 FGADHM Cc1ccc(Br)c(NC(=O)CCc2c(C)nc(C)[n-]c2=O)c1 ZINC000121151962 494619248 /nfs/dbraw/zinc/61/92/48/494619248.db2.gz BXKFLDDUYQNUCV-UHFFFAOYSA-N -1 3 364.243 3.029 20 0 FGADHM Cc1ccc(CN2CCCC2)cc1[N-]S(=O)(=O)c1cnn(C(C)C)c1 ZINC000131457830 494625990 /nfs/dbraw/zinc/62/59/90/494625990.db2.gz DFNOAWLOKOYTGU-UHFFFAOYSA-N -1 3 362.499 3.169 20 0 FGADHM CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(N)=O)c2)cc1 ZINC000057123763 494647613 /nfs/dbraw/zinc/64/76/13/494647613.db2.gz OREJUPYHXLVHFH-CYBMUJFWSA-N -1 3 362.451 3.072 20 0 FGADHM CCCCN(CCCC)S(=O)(=O)[N-]C1(c2noc(C)n2)CCCCC1 ZINC000115878210 494649100 /nfs/dbraw/zinc/64/91/00/494649100.db2.gz LCZJGMLPTGOTRM-UHFFFAOYSA-N -1 3 372.535 3.274 20 0 FGADHM COc1c(C)cc(S(=O)(=O)[N-]c2cccc([C@H]3CCC(=O)N3)c2)cc1C ZINC000568604731 505735346 /nfs/dbraw/zinc/73/53/46/505735346.db2.gz DGAKBDDJQWMWOE-QGZVFWFLSA-N -1 3 374.462 3.064 20 0 FGADHM CCc1ccc([O-])c(C(=O)Nc2ccccc2N2CCC(CO)CC2)c1 ZINC000092604158 494684183 /nfs/dbraw/zinc/68/41/83/494684183.db2.gz VKNSZILPSSJSPJ-UHFFFAOYSA-N -1 3 354.450 3.416 20 0 FGADHM CCCOc1cccc(CN2CCN(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000091811161 494689768 /nfs/dbraw/zinc/68/97/68/494689768.db2.gz GKHVFHZRZITJBB-UHFFFAOYSA-N -1 3 354.450 3.139 20 0 FGADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(Cc2cncs2)CC1 ZINC000091933722 494728255 /nfs/dbraw/zinc/72/82/55/494728255.db2.gz CWJYUEBDGQAMMU-UHFFFAOYSA-N -1 3 351.859 3.353 20 0 FGADHM CCOC(=O)c1sc([N-]C(=O)c2cnc(-c3ncccn3)s2)cc1C ZINC000121379696 494730512 /nfs/dbraw/zinc/73/05/12/494730512.db2.gz BAZRPWNIAJAULN-UHFFFAOYSA-N -1 3 374.447 3.399 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1cc(F)ccc1F)c1ccccc1-n1cccn1 ZINC000131801955 494734537 /nfs/dbraw/zinc/73/45/37/494734537.db2.gz ORLPZNFHYVYDMN-LBPRGKRZSA-N -1 3 363.389 3.190 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-]Cc1ccccc1OCC1CC1 ZINC000121390848 494735177 /nfs/dbraw/zinc/73/51/77/494735177.db2.gz ASSKJMXPPMCBPB-UHFFFAOYSA-N -1 3 353.465 3.024 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCN(C)CC3)cc2C)c(C)c1 ZINC000068038761 494738647 /nfs/dbraw/zinc/73/86/47/494738647.db2.gz VBUJRSOGXHMEGQ-UHFFFAOYSA-N -1 3 373.522 3.164 20 0 FGADHM CC(C)c1cccc(OCC(=O)Nc2ccccc2[N-]S(C)(=O)=O)c1 ZINC000047587462 494739366 /nfs/dbraw/zinc/73/93/66/494739366.db2.gz SYOQHPLZHQRLHB-UHFFFAOYSA-N -1 3 362.451 3.199 20 0 FGADHM CCCCS[C@@H](C)C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000108577020 494744974 /nfs/dbraw/zinc/74/49/74/494744974.db2.gz WPUSEFUMQIFIGL-LBPRGKRZSA-N -1 3 374.528 3.317 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-][C@@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000121436769 494755723 /nfs/dbraw/zinc/75/57/23/494755723.db2.gz XOKWMPQDSSLOSC-GZMMTYOYSA-N -1 3 361.847 3.384 20 0 FGADHM COc1ccc(C(=O)NCCc2nc(-c3ccc(Cl)cc3)no2)c([O-])c1 ZINC000068140670 494778343 /nfs/dbraw/zinc/77/83/43/494778343.db2.gz FCVNAWFAFCYIDM-UHFFFAOYSA-N -1 3 373.796 3.077 20 0 FGADHM C[C@@H]1C[C@H]1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000075529292 494784904 /nfs/dbraw/zinc/78/49/04/494784904.db2.gz ZJAYKRPYZYMRGQ-BDJLRTHQSA-N -1 3 364.854 3.279 20 0 FGADHM O=C(Nc1ccccc1NC(=O)c1ccc2n[n-]nc2c1)c1ccccc1 ZINC000025875124 494785310 /nfs/dbraw/zinc/78/53/10/494785310.db2.gz FDQYKPVQWULLFB-UHFFFAOYSA-N -1 3 357.373 3.463 20 0 FGADHM COc1ccc(C(=O)N2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)c([O-])c1 ZINC000092929438 494790707 /nfs/dbraw/zinc/79/07/07/494790707.db2.gz KIAOYOQTHVOLBJ-YJBOKZPZSA-N -1 3 359.397 3.268 20 0 FGADHM COC(=O)c1ccc([C@H](C)N2CCC(C(=O)Nc3ccccc3[O-])CC2)o1 ZINC000025929845 494791274 /nfs/dbraw/zinc/79/12/74/494791274.db2.gz CVVDCVIBGATSKK-ZDUSSCGKSA-N -1 3 372.421 3.184 20 0 FGADHM CC(C)(C)c1ncc(CN2CCN(C(=O)c3cccc([O-])c3)CC2)s1 ZINC000092937763 494791655 /nfs/dbraw/zinc/79/16/55/494791655.db2.gz TVELRVYQQMLHGD-UHFFFAOYSA-N -1 3 359.495 3.104 20 0 FGADHM CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)c1c([O-])cccc1O ZINC000092119710 494795552 /nfs/dbraw/zinc/79/55/52/494795552.db2.gz CXOOBQWFVWTLID-UHFFFAOYSA-N -1 3 369.396 3.332 20 0 FGADHM CCc1nsc(N2CCCN(C(=O)c3ccc(C(C)C)cc3[O-])CC2)n1 ZINC000075561513 494795794 /nfs/dbraw/zinc/79/57/94/494795794.db2.gz HSBVWGYHADOIFF-UHFFFAOYSA-N -1 3 374.510 3.282 20 0 FGADHM CN(Cc1ccco1)Cc1ccccc1CNC(=O)c1c([O-])cccc1O ZINC000092122917 494795841 /nfs/dbraw/zinc/79/58/41/494795841.db2.gz QHKURLUXMCFSRW-UHFFFAOYSA-N -1 3 366.417 3.253 20 0 FGADHM Cc1cc(Br)oc1C(=O)[N-]c1ncn(Cc2ccccc2)n1 ZINC000108855855 494796759 /nfs/dbraw/zinc/79/67/59/494796759.db2.gz AVLABYQUPRQQIS-UHFFFAOYSA-N -1 3 361.199 3.243 20 0 FGADHM O=C(Nc1cc(Br)ccc1[O-])c1cn(Cc2ccccc2)nn1 ZINC000126619256 494803163 /nfs/dbraw/zinc/80/31/63/494803163.db2.gz SZDIRYKINFPGBD-UHFFFAOYSA-N -1 3 373.210 3.047 20 0 FGADHM O=S(=O)([N-]Cc1nc(C(F)(F)F)cs1)c1cccc(Cl)c1F ZINC000121563072 494803282 /nfs/dbraw/zinc/80/32/82/494803282.db2.gz ICEDYDPMEVCGGZ-UHFFFAOYSA-N -1 3 374.768 3.433 20 0 FGADHM O=C(Nc1cc(Br)ccc1[O-])c1cc(-c2ccncc2)on1 ZINC000126644209 494809765 /nfs/dbraw/zinc/80/97/65/494809765.db2.gz RSAYUPJKBXMGJU-UHFFFAOYSA-N -1 3 360.167 3.457 20 0 FGADHM O=S(=O)([N-]C[C@@H](c1ccccc1)N1CCCC1)c1cccc(F)c1F ZINC000116606234 494823735 /nfs/dbraw/zinc/82/37/35/494823735.db2.gz KUAOQUVLMYUPLK-INIZCTEOSA-N -1 3 366.433 3.080 20 0 FGADHM Cc1ccc(CCCC(=O)N2CCN(C(=O)c3cccc([O-])c3)CC2)cc1 ZINC000116617367 494826347 /nfs/dbraw/zinc/82/63/47/494826347.db2.gz ZUXXUXDSPAZFIZ-UHFFFAOYSA-N -1 3 366.461 3.008 20 0 FGADHM CCc1cc(=O)[n-]c(CN2CCC[C@H]2c2nc3ccccc3n2CC)n1 ZINC000121681746 494837151 /nfs/dbraw/zinc/83/71/51/494837151.db2.gz IYWOWLZNEGXPPM-KRWDZBQOSA-N -1 3 351.454 3.451 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-]CC[C@H](C)c1ccc(OC)cc1 ZINC000121682303 494837693 /nfs/dbraw/zinc/83/76/93/494837693.db2.gz JPYDYAHHXDOACW-LBPRGKRZSA-N -1 3 355.481 3.237 20 0 FGADHM CC(C)(C)O[C@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000126807027 494841148 /nfs/dbraw/zinc/84/11/48/494841148.db2.gz LLGBLXMTOKHSMZ-INIZCTEOSA-N -1 3 351.410 3.362 20 0 FGADHM CC(C)(C)O[C@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000126807027 494841151 /nfs/dbraw/zinc/84/11/51/494841151.db2.gz LLGBLXMTOKHSMZ-INIZCTEOSA-N -1 3 351.410 3.362 20 0 FGADHM COc1cccc(C(=O)N[C@H](C)c2cccc(N3CCCC3=O)c2)c1[O-] ZINC000126818064 494844400 /nfs/dbraw/zinc/84/44/00/494844400.db2.gz SNNKAECNXSQEQA-CYBMUJFWSA-N -1 3 354.406 3.019 20 0 FGADHM Cc1cccc(Cl)c1NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000132265275 494848776 /nfs/dbraw/zinc/84/87/76/494848776.db2.gz NZDFJGFQKQFHTA-UHFFFAOYSA-N -1 3 373.840 3.344 20 0 FGADHM O=S(=O)([N-]C[C@@H]1CCCOC1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000577530781 505745869 /nfs/dbraw/zinc/74/58/69/505745869.db2.gz PYDYILHWNXAIMB-NSHDSACASA-N -1 3 372.899 3.168 20 0 FGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000093316555 494867129 /nfs/dbraw/zinc/86/71/29/494867129.db2.gz FNDOZFYMGQIAMM-MNOVXSKESA-N -1 3 364.348 3.434 20 0 FGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1F ZINC000093317505 494867205 /nfs/dbraw/zinc/86/72/05/494867205.db2.gz GICVSDBKHGKZIZ-VXGBXAGGSA-N -1 3 364.348 3.434 20 0 FGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)[C@@H](CC)OC1CCCCC1 ZINC000093317613 494867367 /nfs/dbraw/zinc/86/73/67/494867367.db2.gz XQLPMICAHHLROF-CYBMUJFWSA-N -1 3 352.431 3.480 20 0 FGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000093316556 494867618 /nfs/dbraw/zinc/86/76/18/494867618.db2.gz FNDOZFYMGQIAMM-WDEREUQCSA-N -1 3 364.348 3.434 20 0 FGADHM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(N(C)C)cc2C)cc1 ZINC000109425589 494872311 /nfs/dbraw/zinc/87/23/11/494872311.db2.gz QIIOYHRHEOQNFL-UHFFFAOYSA-N -1 3 361.467 3.210 20 0 FGADHM O=S(=O)([N-]C1CC1)c1cc(-c2nc(-c3ccsc3)no2)ccc1F ZINC000109478335 494880214 /nfs/dbraw/zinc/88/02/14/494880214.db2.gz SIAAYUVXTXZODE-UHFFFAOYSA-N -1 3 365.411 3.045 20 0 FGADHM Cc1cccc([C@H]2CCCCCN2CC(=O)N2CCC(C(=O)[O-])CC2)c1 ZINC000574331575 505748451 /nfs/dbraw/zinc/74/84/51/505748451.db2.gz FZTCZWGDVFVCOL-LJQANCHMSA-N -1 3 358.482 3.235 20 0 FGADHM CSc1cccc(NC(=O)CSc2n[n-]c(-c3ccccn3)n2)c1 ZINC000117114214 494892062 /nfs/dbraw/zinc/89/20/62/494892062.db2.gz UKQCNMJWBSZOGO-UHFFFAOYSA-N -1 3 357.464 3.319 20 0 FGADHM Fc1ccc(-c2noc(CSc3n[n-]c(-c4ccccn4)n3)n2)cc1 ZINC000117113007 494892383 /nfs/dbraw/zinc/89/23/83/494892383.db2.gz BFWIEFKXCIXXGD-UHFFFAOYSA-N -1 3 354.370 3.348 20 0 FGADHM C[C@@H]1CCc2ccccc2N1C(=O)CSc1n[n-]c(-c2ccccn2)n1 ZINC000117112926 494892476 /nfs/dbraw/zinc/89/24/76/494892476.db2.gz YDACGFXZEJIZLF-CYBMUJFWSA-N -1 3 365.462 3.327 20 0 FGADHM COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1Cc1nc(C)ccc1[O-] ZINC000093480414 494896862 /nfs/dbraw/zinc/89/68/62/494896862.db2.gz IOQSBVJPHRXVHR-KRWDZBQOSA-N -1 3 355.438 3.016 20 0 FGADHM CCSc1nccnc1C(=O)[N-]c1n[nH]c(-c2ccc(Cl)cc2)n1 ZINC000580396880 505749422 /nfs/dbraw/zinc/74/94/22/505749422.db2.gz PVQRYEGBCPVRQW-UHFFFAOYSA-N -1 3 360.830 3.279 20 0 FGADHM C[C@@H](Oc1ccc(Br)cc1)C(=O)NCc1ccc([O-])c(F)c1 ZINC000132728492 494915234 /nfs/dbraw/zinc/91/52/34/494915234.db2.gz SXNFOYAPKONXMD-SNVBAGLBSA-N -1 3 368.202 3.378 20 0 FGADHM COc1ccc(-c2nc(NC(=O)c3ccc(C)cc3C)n[n-]2)c(OC)c1 ZINC000109855169 494925658 /nfs/dbraw/zinc/92/56/58/494925658.db2.gz BUOFTQJDYBUJQH-UHFFFAOYSA-N -1 3 352.394 3.358 20 0 FGADHM CCc1ccc([O-])c(C(=O)NCc2ccc(CN3CCCC3=O)cc2)c1 ZINC000132795432 494925792 /nfs/dbraw/zinc/92/57/92/494925792.db2.gz MNMLXSTWRJFHFG-UHFFFAOYSA-N -1 3 352.434 3.007 20 0 FGADHM CN(C)CCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2F)cc1 ZINC000093867927 494928648 /nfs/dbraw/zinc/92/86/48/494928648.db2.gz KXADMUVNEIWSGU-UHFFFAOYSA-N -1 3 372.849 3.220 20 0 FGADHM CCN1CCN(c2ccc(NC(=O)c3cc(F)ccc3[O-])c(C)c2)CC1 ZINC000093905840 494933524 /nfs/dbraw/zinc/93/35/24/494933524.db2.gz DNJHSVSZLOYFLY-UHFFFAOYSA-N -1 3 357.429 3.234 20 0 FGADHM COc1ccc(CC2CCN(C(=O)c3ccc4n[n-]nc4c3)CC2)cc1 ZINC000109951254 494934050 /nfs/dbraw/zinc/93/40/50/494934050.db2.gz QVNXQFCOSRVEGF-UHFFFAOYSA-N -1 3 350.422 3.061 20 0 FGADHM O=S(=O)([N-][C@H](Cc1ccccc1)c1ccccc1F)c1ccccn1 ZINC000574343418 505751351 /nfs/dbraw/zinc/75/13/51/505751351.db2.gz FMQQRCVUBZKPAX-GOSISDBHSA-N -1 3 356.422 3.483 20 0 FGADHM C[C@H](Oc1ccccc1Cl)C(=O)[N-]c1nncn1Cc1ccccc1 ZINC000117736006 494951553 /nfs/dbraw/zinc/95/15/53/494951553.db2.gz UHNVGTQXBJMUTM-ZDUSSCGKSA-N -1 3 356.813 3.386 20 0 FGADHM CC(C)c1nc2n(n1)CCC[C@@H]2[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000133037496 494959282 /nfs/dbraw/zinc/95/92/82/494959282.db2.gz YHJJZFSJYNEEAE-LBPRGKRZSA-N -1 3 372.853 3.007 20 0 FGADHM O=C(NC1CCC(C(=O)NCc2ccc([O-])c(F)c2)CC1)C1CCCC1 ZINC000133109442 494970510 /nfs/dbraw/zinc/97/05/10/494970510.db2.gz MHGUEHXHCFCDRE-UHFFFAOYSA-N -1 3 362.445 3.013 20 0 FGADHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N([C@@H](C)C(C)C)C1CC1 ZINC000133187239 494981780 /nfs/dbraw/zinc/98/17/80/494981780.db2.gz IRHQLAHBLKCIJP-LBPRGKRZSA-N -1 3 366.483 3.207 20 0 FGADHM Cc1cc2c[nH]nc2cc1[N-]S(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C ZINC000133282426 494994473 /nfs/dbraw/zinc/99/44/73/494994473.db2.gz JQRCLNGLJSGWCH-UGSOOPFHSA-N -1 3 361.467 3.008 20 0 FGADHM O=C(c1ccccc1[O-])N1CCC[C@@H]1C(=O)N1CCC2(CCCC2)CC1 ZINC000133362269 495005104 /nfs/dbraw/zinc/00/51/04/495005104.db2.gz QRZVJBVTOTYTJP-QGZVFWFLSA-N -1 3 356.466 3.180 20 0 FGADHM O=C(Cc1ccccc1OC(F)F)Nc1n[n-]c(-c2ccccc2F)n1 ZINC000118495528 495006163 /nfs/dbraw/zinc/00/61/63/495006163.db2.gz QUDXOVAYGQMKKZ-UHFFFAOYSA-N -1 3 362.311 3.393 20 0 FGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)c1cccc(OC2CCCC2)c1 ZINC000110785552 495009951 /nfs/dbraw/zinc/00/99/51/495009951.db2.gz QYBWTRAMRJZGEY-UHFFFAOYSA-N -1 3 363.421 3.118 20 0 FGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)c1cccc(OC2CCCC2)c1 ZINC000110785552 495009955 /nfs/dbraw/zinc/00/99/55/495009955.db2.gz QYBWTRAMRJZGEY-UHFFFAOYSA-N -1 3 363.421 3.118 20 0 FGADHM O=C(Nc1cnn(C[C@H]2CCCO2)c1)c1c[n-]nc1-c1cccc(Cl)c1 ZINC000122655026 495010833 /nfs/dbraw/zinc/01/08/33/495010833.db2.gz ABAOYWHEVOQQJH-OAHLLOKOSA-N -1 3 371.828 3.358 20 0 FGADHM C[C@H]1C[C@H](C)CN(C(=O)Cc2csc(NC(=O)c3cccc([O-])c3)n2)C1 ZINC000118757180 495032202 /nfs/dbraw/zinc/03/22/02/495032202.db2.gz ZJZKMGPJFKEURG-STQMWFEESA-N -1 3 373.478 3.148 20 0 FGADHM COc1cccc(C(=O)N(Cc2cccc(F)c2)C[C@@H]2CCCO2)c1[O-] ZINC000122882128 495046483 /nfs/dbraw/zinc/04/64/83/495046483.db2.gz HMHUNHOHFJZQAT-INIZCTEOSA-N -1 3 359.397 3.361 20 0 FGADHM COc1ccc(C)cc1N1C[C@H](C(=O)Nc2cc(Cl)ccc2[O-])CC1=O ZINC000111210532 495048852 /nfs/dbraw/zinc/04/88/52/495048852.db2.gz UNAAZZYCTATZQP-GFCCVEGCSA-N -1 3 374.824 3.354 20 0 FGADHM CCc1ccc([O-])c(C(=O)N(CC)Cc2ccc(C(=O)N(C)C)cc2)c1 ZINC000133712727 495050546 /nfs/dbraw/zinc/05/05/46/495050546.db2.gz NYIQMLXWUDNBED-UHFFFAOYSA-N -1 3 354.450 3.319 20 0 FGADHM CC(C)Oc1cc(C[N-]S(=O)(=O)c2cccc3c2N=S=N3)ccn1 ZINC000118941601 495053582 /nfs/dbraw/zinc/05/35/82/495053582.db2.gz KDFMLCQITUYRBL-UHFFFAOYSA-N -1 3 364.452 3.074 20 0 FGADHM O=C1[C@H](Sc2n[n-]c(-c3ccccn3)n2)CCN1c1c(F)cccc1F ZINC000119035757 495076434 /nfs/dbraw/zinc/07/64/34/495076434.db2.gz JJVQMKZNKINCPP-CYBMUJFWSA-N -1 3 373.388 3.043 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-][C@@H](Cc1ccccc1OC)C(C)C ZINC000123082727 495077788 /nfs/dbraw/zinc/07/77/88/495077788.db2.gz KWQLIXWEKUYVBF-AWEZNQCLSA-N -1 3 369.508 3.311 20 0 FGADHM Cc1ccc(C(=O)N2CCC[C@H](C3N=NC(=S)N3C3CC3)C2)c([O-])c1C ZINC000111657937 495092467 /nfs/dbraw/zinc/09/24/67/495092467.db2.gz QKSSCLUWXPSFMM-ZDUSSCGKSA-N -1 3 372.494 3.244 20 0 FGADHM O=C(Nc1cccc([O-])c1F)c1ncoc1-c1ccc2c(c1)OCCO2 ZINC000128429280 495095633 /nfs/dbraw/zinc/09/56/33/495095633.db2.gz DDCCNZKADWIVLM-UHFFFAOYSA-N -1 3 356.309 3.210 20 0 FGADHM CCc1oc2ccccc2c1CN(C)C(=O)c1cnc2c(cnn2C)c1[O-] ZINC000119121320 495098348 /nfs/dbraw/zinc/09/83/48/495098348.db2.gz PVPRTMRMHUCKQJ-UHFFFAOYSA-N -1 3 364.405 3.255 20 0 FGADHM O=C(N[C@@H](c1c(F)cccc1F)C(F)(F)F)c1cccc2nn[n-]c21 ZINC000119142703 495103215 /nfs/dbraw/zinc/10/32/15/495103215.db2.gz VUEJXCRMTQOJDZ-ZDUSSCGKSA-N -1 3 356.254 3.270 20 0 FGADHM O=C(N[C@@H](c1c(F)cccc1F)C(F)(F)F)c1cccc2[n-]nnc21 ZINC000119142703 495103218 /nfs/dbraw/zinc/10/32/18/495103218.db2.gz VUEJXCRMTQOJDZ-ZDUSSCGKSA-N -1 3 356.254 3.270 20 0 FGADHM O=C(N[C@@H](c1c(F)cccc1F)C(F)(F)F)c1cccc2n[n-]nc21 ZINC000119142703 495103220 /nfs/dbraw/zinc/10/32/20/495103220.db2.gz VUEJXCRMTQOJDZ-ZDUSSCGKSA-N -1 3 356.254 3.270 20 0 FGADHM Cc1nc(C)c(CC(=O)NC[C@H](C)c2c(Cl)cccc2Cl)c(=O)[n-]1 ZINC000101899882 495105803 /nfs/dbraw/zinc/10/58/03/495105803.db2.gz DMKCMBDDNGDVJX-VIFPVBQESA-N -1 3 368.264 3.156 20 0 FGADHM C[C@@H](NC(=O)c1ccccc1)C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000134136811 495110827 /nfs/dbraw/zinc/11/08/27/495110827.db2.gz GUOXUVXRVJKCIN-SNVBAGLBSA-N -1 3 352.312 3.168 20 0 FGADHM Cc1cc(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)c2cnn(C)c2n1 ZINC000134170485 495116363 /nfs/dbraw/zinc/11/63/63/495116363.db2.gz VMYXQKWHGMGUIJ-UHFFFAOYSA-N -1 3 350.300 3.253 20 0 FGADHM CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)c1cnc2c(cnn2C)c1[O-] ZINC000119292249 495135604 /nfs/dbraw/zinc/13/56/04/495135604.db2.gz UBKDYQAHLZQXIY-MRXNPFEDSA-N -1 3 366.465 3.466 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)c1 ZINC000134342975 495137497 /nfs/dbraw/zinc/13/74/97/495137497.db2.gz HLFXBSBSZLOVPX-MRXNPFEDSA-N -1 3 354.406 3.383 20 0 FGADHM CC[C@@H]([N-]S(=O)(=O)c1cccc(Br)c1)c1c(C)noc1C ZINC000119330087 495143397 /nfs/dbraw/zinc/14/33/97/495143397.db2.gz BQQIPPHKIHWSNY-CYBMUJFWSA-N -1 3 373.272 3.484 20 0 FGADHM CC(=O)N1CCCc2ccc(S(=O)(=O)[N-]c3cccc(F)c3F)cc21 ZINC000134455763 495152152 /nfs/dbraw/zinc/15/21/52/495152152.db2.gz ISYGOIVNTITODU-UHFFFAOYSA-N -1 3 366.389 3.065 20 0 FGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)[C@@H](C)c2c(F)cccc2F)c1 ZINC000119410697 495162070 /nfs/dbraw/zinc/16/20/70/495162070.db2.gz VLKINQASXPQEEM-NSHDSACASA-N -1 3 368.405 3.387 20 0 FGADHM CCOCCOc1ccc(Cl)cc1N[C@H](C)C(=O)[N-]c1cc(C)no1 ZINC000102937369 495174701 /nfs/dbraw/zinc/17/47/01/495174701.db2.gz JFNVXUJJYIWHEL-GFCCVEGCSA-N -1 3 367.833 3.491 20 0 FGADHM C[C@@H](OC1CCCCCC1)C(=O)N(C)Cc1nc2ccsc2c(=O)[n-]1 ZINC000119489315 495176319 /nfs/dbraw/zinc/17/63/19/495176319.db2.gz SVGNWMYWWHCGOS-GFCCVEGCSA-N -1 3 363.483 3.071 20 0 FGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H]2CCOc3ccccc32)c1 ZINC000112362448 495180677 /nfs/dbraw/zinc/18/06/77/495180677.db2.gz RALRZNRRNMHRDD-GFCCVEGCSA-N -1 3 367.854 3.193 20 0 FGADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)[C@@H](O)Cc2ccccc2)c(Cl)cc1F ZINC000129118380 495198992 /nfs/dbraw/zinc/19/89/92/495198992.db2.gz XPCBACUSYGRDOD-LRDDRELGSA-N -1 3 371.861 3.058 20 0 FGADHM Cc1ccc(Br)c(C(=O)Nc2cc(-c3nccn3C)[n-]n2)c1 ZINC000119603068 495199601 /nfs/dbraw/zinc/19/96/01/495199601.db2.gz GPIOJSASEHOSOZ-UHFFFAOYSA-N -1 3 360.215 3.133 20 0 FGADHM Cc1ccc(Br)c(C(=O)Nc2cc(-c3nccn3C)n[n-]2)c1 ZINC000119603068 495199602 /nfs/dbraw/zinc/19/96/02/495199602.db2.gz GPIOJSASEHOSOZ-UHFFFAOYSA-N -1 3 360.215 3.133 20 0 FGADHM COc1ccc(-c2nc(Sc3ccnc(C4CC4)n3)n[n-]2)c(OC)c1 ZINC000112553921 495204789 /nfs/dbraw/zinc/20/47/89/495204789.db2.gz CZBDSVJPDRFFCC-UHFFFAOYSA-N -1 3 355.423 3.308 20 0 FGADHM CCC(C)(C)[C@@H](NCc1cn(-c2ccc(F)c(Cl)c2)nn1)C(=O)[O-] ZINC000577634541 505768151 /nfs/dbraw/zinc/76/81/51/505768151.db2.gz TYFVMJYZWILKAZ-AWEZNQCLSA-N -1 3 354.813 3.039 20 0 FGADHM Cn1ccnc1-c1cc(NC(=O)[C@H]2C[C@@H]2c2ccccc2OC(F)F)n[n-]1 ZINC000119711724 495224088 /nfs/dbraw/zinc/22/40/88/495224088.db2.gz WLGIALKTJVSFQM-NEPJUHHUSA-N -1 3 373.363 3.154 20 0 FGADHM Cn1ccnc1-c1cc(NC(=O)[C@H]2C[C@@H]2c2ccccc2OC(F)F)[n-]n1 ZINC000119711724 495224091 /nfs/dbraw/zinc/22/40/91/495224091.db2.gz WLGIALKTJVSFQM-NEPJUHHUSA-N -1 3 373.363 3.154 20 0 FGADHM Cc1cc(C(=O)Nc2cc(-c3nccn3C)[n-]n2)cc(C)c1OC(F)F ZINC000119716353 495225122 /nfs/dbraw/zinc/22/51/22/495225122.db2.gz OFZXLVUCXZNNNQ-UHFFFAOYSA-N -1 3 361.352 3.281 20 0 FGADHM Cc1cc(C(=O)Nc2cc(-c3nccn3C)n[n-]2)cc(C)c1OC(F)F ZINC000119716353 495225126 /nfs/dbraw/zinc/22/51/26/495225126.db2.gz OFZXLVUCXZNNNQ-UHFFFAOYSA-N -1 3 361.352 3.281 20 0 FGADHM CC(C)(C)C(=O)Nc1nccnc1C(=O)[N-]c1cc(F)cc(F)c1F ZINC000580479927 505768474 /nfs/dbraw/zinc/76/84/74/505768474.db2.gz LRKXCIQQCHSWHK-UHFFFAOYSA-N -1 3 352.316 3.131 20 0 FGADHM O=C([O-])[C@@H]1CC12CCN(CCOc1ccc(OC(F)(F)F)cc1)CC2 ZINC000577642690 505769047 /nfs/dbraw/zinc/76/90/47/505769047.db2.gz QUGMZKUEFLRVPG-AWEZNQCLSA-N -1 3 359.344 3.151 20 0 FGADHM Cn1ccnc1-c1cc(NC(=O)c2cc(F)cc(C(F)(F)F)c2)n[n-]1 ZINC000119786404 495240993 /nfs/dbraw/zinc/24/09/93/495240993.db2.gz NCCNKSVFDHEVCQ-UHFFFAOYSA-N -1 3 353.279 3.220 20 0 FGADHM Cn1ccnc1-c1cc(NC(=O)c2cc(F)cc(C(F)(F)F)c2)[n-]n1 ZINC000119786404 495240995 /nfs/dbraw/zinc/24/09/95/495240995.db2.gz NCCNKSVFDHEVCQ-UHFFFAOYSA-N -1 3 353.279 3.220 20 0 FGADHM CCOC(=O)[C@H](Cc1ccccc1)N(C(=O)c1ccccc1[O-])C1CC1 ZINC000112816650 495244035 /nfs/dbraw/zinc/24/40/35/495244035.db2.gz OUTLNNHAHLXIPF-SFHVURJKSA-N -1 3 353.418 3.171 20 0 FGADHM Cc1cccc(C(=O)N2CCN([C@@H](C)c3ccc(F)cc3F)CC2)c1[O-] ZINC000103532528 495246705 /nfs/dbraw/zinc/24/67/05/495246705.db2.gz WRWHXGXMJPRHKE-AWEZNQCLSA-N -1 3 360.404 3.498 20 0 FGADHM O=C([N-]c1nc(-c2ccccc2)ns1)c1cc2c(cc1F)NC(=O)CC2 ZINC000135066102 495246767 /nfs/dbraw/zinc/24/67/67/495246767.db2.gz UGUMKHNIVAZJAZ-UHFFFAOYSA-N -1 3 368.393 3.481 20 0 FGADHM COc1cc(C(=O)[N-]c2ncc(C(C)=O)s2)sc1Br ZINC000135066296 495246816 /nfs/dbraw/zinc/24/68/16/495246816.db2.gz KFSQFZVEHPBEMH-UHFFFAOYSA-N -1 3 361.242 3.431 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2ncc(C)cc2Br)cc1C ZINC000129461783 495249182 /nfs/dbraw/zinc/24/91/82/495249182.db2.gz JQVPXNJPDMXARH-UHFFFAOYSA-N -1 3 371.256 3.270 20 0 FGADHM C[C@@H](Oc1ccc(F)cc1Cl)C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000112877457 495251382 /nfs/dbraw/zinc/25/13/82/495251382.db2.gz NWFUZICJPUXMLJ-RXMQYKEDSA-N -1 3 352.675 3.022 20 0 FGADHM C[C@@H](Oc1ccc(F)cc1Cl)C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000112877457 495251387 /nfs/dbraw/zinc/25/13/87/495251387.db2.gz NWFUZICJPUXMLJ-RXMQYKEDSA-N -1 3 352.675 3.022 20 0 FGADHM CCN1CCc2nc(NC(=O)c3c[n-]nc3-c3ccccc3)sc2C1 ZINC000124243519 495257373 /nfs/dbraw/zinc/25/73/73/495257373.db2.gz NWHPEITUAILIRC-UHFFFAOYSA-N -1 3 353.451 3.164 20 0 FGADHM CC(=O)N[C@H](CC(=O)Nc1cccc([O-])c1F)c1c(F)cccc1F ZINC000129547029 495260636 /nfs/dbraw/zinc/26/06/36/495260636.db2.gz LHGQVNJIYBFTMY-CYBMUJFWSA-N -1 3 352.312 3.016 20 0 FGADHM COc1ccc(C(=O)N2CCN([C@H](C)c3cccc(F)c3)CC2)c([O-])c1 ZINC000104121327 495268373 /nfs/dbraw/zinc/26/83/73/495268373.db2.gz DGXCVGTTWTWHBO-CQSZACIVSA-N -1 3 358.413 3.059 20 0 FGADHM CCOC(=O)c1ccc(NC(=O)Cc2coc(-c3cccs3)n2)c([O-])c1 ZINC000129600435 495268905 /nfs/dbraw/zinc/26/89/05/495268905.db2.gz ZNIHQIUXWATIRC-UHFFFAOYSA-N -1 3 372.402 3.467 20 0 FGADHM O=C(NC(c1ccccc1)c1ccccc1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000104134399 495269436 /nfs/dbraw/zinc/26/94/36/495269436.db2.gz FZOQWVXUJPQKGH-UHFFFAOYSA-N -1 3 356.381 3.090 20 0 FGADHM CC[C@@H](NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)c1ccccc1OC(F)F ZINC000104144051 495270365 /nfs/dbraw/zinc/27/03/65/495270365.db2.gz IEZYRJWIARKPFM-CQSZACIVSA-N -1 3 374.343 3.053 20 0 FGADHM O=C(Nc1cccc([O-])c1F)[C@H]1COc2ccc(Br)cc21 ZINC000129626945 495271867 /nfs/dbraw/zinc/27/18/67/495271867.db2.gz WVZWTMKKVZLCHW-JTQLQIEISA-N -1 3 352.159 3.409 20 0 FGADHM O=C(CSCc1cscn1)Nc1ccc(Br)cc1[O-] ZINC000119931547 495272400 /nfs/dbraw/zinc/27/24/00/495272400.db2.gz SWTJRPSLQPLLRU-UHFFFAOYSA-N -1 3 359.270 3.483 20 0 FGADHM COc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(F)c(NC(C)=O)c2)c1 ZINC000135306777 495275581 /nfs/dbraw/zinc/27/55/81/495275581.db2.gz TVBILUSXNGKLBY-UHFFFAOYSA-N -1 3 372.805 3.247 20 0 FGADHM CC[C@@]1(C)C[C@H]1C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000135381108 495285070 /nfs/dbraw/zinc/28/50/70/495285070.db2.gz XYISVVIVEDUPJG-HZMBPMFUSA-N -1 3 364.389 3.452 20 0 FGADHM Cc1nc(-c2ccc(NC(=O)N[C@H]3C[C@@H](C)n4ccnc43)cc2)cc(=O)[n-]1 ZINC000571614781 505772823 /nfs/dbraw/zinc/77/28/23/505772823.db2.gz WNPYJDAKIXIBJZ-BZNIZROVSA-N -1 3 364.409 3.182 20 0 FGADHM CCC(CC)CS(=O)(=O)[N-][C@@H](c1nc(-c2ccncc2)no1)C(C)C ZINC000113286614 495293367 /nfs/dbraw/zinc/29/33/67/495293367.db2.gz URIOEPWEVTWTRR-OAHLLOKOSA-N -1 3 366.487 3.184 20 0 FGADHM O=C(c1ccc([O-])cc1)C1CCN(CC[S@@](=O)c2ccccc2)CC1 ZINC000104665900 495295099 /nfs/dbraw/zinc/29/50/99/495295099.db2.gz SUKDSBQIPOMLLP-VWLOTQADSA-N -1 3 357.475 3.095 20 0 FGADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]Cc2ccc(F)cc2)cc1Cl ZINC000104732337 495301825 /nfs/dbraw/zinc/30/18/25/495301825.db2.gz BTHJYLWKPXFMAW-UHFFFAOYSA-N -1 3 374.796 3.055 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-][C@H](c2nc(C3CC3)no2)C(C)C)c(F)c1 ZINC000104741603 495302588 /nfs/dbraw/zinc/30/25/88/495302588.db2.gz SSEHVHJNQXKTQC-AWEZNQCLSA-N -1 3 353.419 3.070 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2ccc3nc(C(F)F)[nH]c3c2)cc1 ZINC000135511189 495304060 /nfs/dbraw/zinc/30/40/60/495304060.db2.gz YZHIOJRDJIIHJI-UHFFFAOYSA-N -1 3 353.350 3.310 20 0 FGADHM Cc1ccc(Cl)c(O[C@@H](C)C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)c1 ZINC000135569094 495312399 /nfs/dbraw/zinc/31/23/99/495312399.db2.gz IRYZMRXQMXTBMZ-LBPRGKRZSA-N -1 3 371.828 3.158 20 0 FGADHM Cc1ccc(Cl)c(O[C@@H](C)C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)c1 ZINC000135569094 495312401 /nfs/dbraw/zinc/31/24/01/495312401.db2.gz IRYZMRXQMXTBMZ-LBPRGKRZSA-N -1 3 371.828 3.158 20 0 FGADHM CCSc1ccc([C@@H](C)NC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)cc1 ZINC000104900184 495313582 /nfs/dbraw/zinc/31/35/82/495313582.db2.gz YEQLWRHFVTUEGG-LLVKDONJSA-N -1 3 354.431 3.173 20 0 FGADHM C[C@@H](C[S@](C)=O)N(C)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000135611333 495318088 /nfs/dbraw/zinc/31/80/88/495318088.db2.gz UAWRRKOWMWZKRD-ODCWNRFASA-N -1 3 359.491 3.016 20 0 FGADHM CCn1c(CNC[C@H](Cc2ccccc2OC)C(=O)[O-])nc2ccccc21 ZINC000580507896 505774410 /nfs/dbraw/zinc/77/44/10/505774410.db2.gz GARUBRFSRGUPTO-INIZCTEOSA-N -1 3 367.449 3.098 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]C[C@H](C[C@H](C)O)c2ccccc2)c(F)cc1F ZINC000124689727 495329123 /nfs/dbraw/zinc/32/91/23/495329123.db2.gz ZMFHMIMRFYQQBC-ZFWWWQNUSA-N -1 3 369.433 3.106 20 0 FGADHM O=C(Nc1nc(-c2cccc(Oc3ccccc3)c2)ns1)c1cnn[n-]1 ZINC000113915532 495335638 /nfs/dbraw/zinc/33/56/38/495335638.db2.gz BVXLXPKPNWEVKB-UHFFFAOYSA-N -1 3 364.390 3.368 20 0 FGADHM O=C(Nc1nc(-c2cccc(Oc3ccccc3)c2)ns1)c1c[n-]nn1 ZINC000113915532 495335642 /nfs/dbraw/zinc/33/56/42/495335642.db2.gz BVXLXPKPNWEVKB-UHFFFAOYSA-N -1 3 364.390 3.368 20 0 FGADHM O=C([N-]c1nc(-c2cccc(Oc3ccccc3)c2)ns1)c1cn[nH]n1 ZINC000113915532 495335645 /nfs/dbraw/zinc/33/56/45/495335645.db2.gz BVXLXPKPNWEVKB-UHFFFAOYSA-N -1 3 364.390 3.368 20 0 FGADHM CCOC(=O)c1ccc(NC(=O)c2ccc(Br)o2)c([O-])c1 ZINC000124768355 495339885 /nfs/dbraw/zinc/33/98/85/495339885.db2.gz FXUDHGYMGQEYNC-UHFFFAOYSA-N -1 3 354.156 3.177 20 0 FGADHM CCc1cc([N-]C(=O)c2cc(-c3ccc4c(c3)CCO4)no2)nc(C)n1 ZINC000125011038 495378206 /nfs/dbraw/zinc/37/82/06/495378206.db2.gz DEVGPMUJGRTYKV-UHFFFAOYSA-N -1 3 350.378 3.190 20 0 FGADHM CC(C)CN(CC(C)(C)C)C(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000125037605 495381638 /nfs/dbraw/zinc/38/16/38/495381638.db2.gz MTMRQAUHLPUCER-UHFFFAOYSA-N -1 3 358.479 3.342 20 0 FGADHM O=C(c1cc(OCc2ccccc2)ccc1[O-])N1CCN2CCCC[C@H]2C1 ZINC000130416914 495388506 /nfs/dbraw/zinc/38/85/06/495388506.db2.gz QDWKUMSGRGEOGZ-SFHVURJKSA-N -1 3 366.461 3.282 20 0 FGADHM O=C(NCC1(c2ccc(F)cc2F)CC1)c1c[n-]c2ccccc2c1=O ZINC000130432411 495391121 /nfs/dbraw/zinc/39/11/21/495391121.db2.gz BWISDKKCCSNDKG-UHFFFAOYSA-N -1 3 354.356 3.268 20 0 FGADHM CCCOc1ccc(CCC(=O)Nc2ccc(Cc3nnn[n-]3)cc2)cc1 ZINC000136985403 495415004 /nfs/dbraw/zinc/41/50/04/495415004.db2.gz 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495449263 /nfs/dbraw/zinc/44/92/63/495449263.db2.gz JIVOTPCKTWWKNA-UHFFFAOYSA-N -1 3 366.812 3.106 20 0 FGADHM O=C(Cc1c[nH]c2ccc(Cl)cc12)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000120748072 495449269 /nfs/dbraw/zinc/44/92/69/495449269.db2.gz JIVOTPCKTWWKNA-UHFFFAOYSA-N -1 3 366.812 3.106 20 0 FGADHM COc1ccc([C@H](CNC(=O)c2c([O-])cccc2O)N2CCCCC2)cc1 ZINC000125566780 495463812 /nfs/dbraw/zinc/46/38/12/495463812.db2.gz GYWWWCLKJNJMBT-KRWDZBQOSA-N -1 3 370.449 3.063 20 0 FGADHM COCCOc1ncccc1C(=O)[N-]c1c(C)noc1-c1ccccc1 ZINC000130908019 495465098 /nfs/dbraw/zinc/46/50/98/495465098.db2.gz VAOPNHHSGOSIEX-UHFFFAOYSA-N -1 3 353.378 3.323 20 0 FGADHM Cc1cc(C)cc(-c2nnc([N-]C(=O)c3cnn4ccc(C)nc34)s2)c1 ZINC000115149786 495468813 /nfs/dbraw/zinc/46/88/13/495468813.db2.gz GAGJUJCWQTWDJO-UHFFFAOYSA-N -1 3 364.434 3.425 20 0 FGADHM C[C@H]1OCCN(Cc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)[C@@H]1C ZINC000139108795 495472946 /nfs/dbraw/zinc/47/29/46/495472946.db2.gz CQFJOHNWKRHDRK-CHWSQXEVSA-N -1 3 355.463 3.261 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)CCCOc3ccccc3)[n-]c21 ZINC000130980073 495475220 /nfs/dbraw/zinc/47/52/20/495475220.db2.gz YXQCFAIMQJRBBB-UHFFFAOYSA-N -1 3 353.378 3.147 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)CCCOc3ccccc3)nc21 ZINC000130980073 495475223 /nfs/dbraw/zinc/47/52/23/495475223.db2.gz YXQCFAIMQJRBBB-UHFFFAOYSA-N -1 3 353.378 3.147 20 0 FGADHM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2cc(C)ccc2Cl)cc1 ZINC000131018870 495480409 /nfs/dbraw/zinc/48/04/09/495480409.db2.gz MXAJFAVWPFXPKS-UHFFFAOYSA-N -1 3 352.843 3.432 20 0 FGADHM CN(C)[C@@H](CN=c1ncc2scc(Br)c2[n-]1)c1ccco1 ZINC000571658028 505785109 /nfs/dbraw/zinc/78/51/09/505785109.db2.gz UCQYWIKUHHUCCM-JTQLQIEISA-N -1 3 367.272 3.184 20 0 FGADHM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(C[S@@](C)=O)c2)c(C)c1 ZINC000115313024 495488705 /nfs/dbraw/zinc/48/87/05/495488705.db2.gz ORRMOWUFLAKWRH-QFIPXVFZSA-N -1 3 351.493 3.291 20 0 FGADHM CCc1cnc(S(=O)(=O)Cc2ncc(-c3cccc(Cl)c3)o2)[n-]1 ZINC000125772825 495496859 /nfs/dbraw/zinc/49/68/59/495496859.db2.gz LOGDBMQVRGLQBY-UHFFFAOYSA-N -1 3 351.815 3.254 20 0 FGADHM CCc1c[n-]c(S(=O)(=O)Cc2ncc(-c3cccc(Cl)c3)o2)n1 ZINC000125772825 495496863 /nfs/dbraw/zinc/49/68/63/495496863.db2.gz LOGDBMQVRGLQBY-UHFFFAOYSA-N -1 3 351.815 3.254 20 0 FGADHM CC(C)(c1nnc([N-]C(=O)c2cn3cccnc3n2)s1)c1ccccc1 ZINC000106809189 495498301 /nfs/dbraw/zinc/49/83/01/495498301.db2.gz SNDQBZIJAMKGAO-UHFFFAOYSA-N -1 3 364.434 3.159 20 0 FGADHM CCc1noc(C)c1[N-]C(=O)c1nnn(-c2cccc3cnccc32)c1C ZINC000120991060 495499071 /nfs/dbraw/zinc/49/90/71/495499071.db2.gz DOIDFTKWTJVEEG-UHFFFAOYSA-N -1 3 362.393 3.235 20 0 FGADHM CN(C)CCN(Cc1cccc(F)c1)C(=O)c1ccc([O-])c(Cl)c1 ZINC000125809010 495502534 /nfs/dbraw/zinc/50/25/34/495502534.db2.gz GVWUNZYBJGYEQY-UHFFFAOYSA-N -1 3 350.821 3.389 20 0 FGADHM Cc1cccc([C@H](C)NC(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)c1C ZINC000115492471 495510569 /nfs/dbraw/zinc/51/05/69/495510569.db2.gz ZJDQPWGXQJHJGH-ZDUSSCGKSA-N -1 3 364.442 3.305 20 0 FGADHM CN(CCC1CCN(c2ccncc2)CC1)C(=O)c1c([O-])cccc1F ZINC000131243573 495512012 /nfs/dbraw/zinc/51/20/12/495512012.db2.gz RMRBDIUVOBKPNE-UHFFFAOYSA-N -1 3 357.429 3.305 20 0 FGADHM COc1cccc(Cc2nnc([N-]C(=O)c3cc(Cl)ccn3)s2)c1 ZINC000107178042 495523288 /nfs/dbraw/zinc/52/32/88/495523288.db2.gz TZKWTCABEHXNMI-UHFFFAOYSA-N -1 3 360.826 3.438 20 0 FGADHM COc1cc(F)c(S(=O)(=O)[N-]C[C@@H](C)Cc2cccs2)cc1OC ZINC000173447724 495534128 /nfs/dbraw/zinc/53/41/28/495534128.db2.gz YSRWGWLDFVRNRJ-NSHDSACASA-N -1 3 373.471 3.062 20 0 FGADHM O=C(Nc1ccccc1)[C@@H]([N-]S(=O)(=O)CCCCF)c1ccccc1 ZINC000574507053 505788448 /nfs/dbraw/zinc/78/84/48/505788448.db2.gz IJVMRRKZGCPGMA-KRWDZBQOSA-N -1 3 364.442 3.036 20 0 FGADHM Cc1cccc2c(=O)c(C(=O)Nc3ccn(Cc4ccncc4)n3)c[n-]c12 ZINC000185358864 495547362 /nfs/dbraw/zinc/54/73/62/495547362.db2.gz CAMMNIRZPRDHFB-UHFFFAOYSA-N -1 3 359.389 3.141 20 0 FGADHM CCC(CC)c1cc(C[N-]S(=O)(=O)c2cccc(COC)c2)on1 ZINC000173492687 495556285 /nfs/dbraw/zinc/55/62/85/495556285.db2.gz SIGJILYGIMDQGW-UHFFFAOYSA-N -1 3 352.456 3.203 20 0 FGADHM COc1nnc(NC(=O)c2cnn(-c3cccc(Cl)c3)c2C(C)C)[n-]1 ZINC000179363684 495561958 /nfs/dbraw/zinc/56/19/58/495561958.db2.gz BRROXNKMCAXISO-UHFFFAOYSA-N -1 3 360.805 3.028 20 0 FGADHM COc1nc(NC(=O)c2cnn(-c3cccc(Cl)c3)c2C(C)C)n[n-]1 ZINC000179363684 495561963 /nfs/dbraw/zinc/56/19/63/495561963.db2.gz BRROXNKMCAXISO-UHFFFAOYSA-N -1 3 360.805 3.028 20 0 FGADHM COc1n[n-]c(NC(=O)c2cnn(-c3cccc(Cl)c3)c2C(C)C)n1 ZINC000179363684 495561966 /nfs/dbraw/zinc/56/19/66/495561966.db2.gz BRROXNKMCAXISO-UHFFFAOYSA-N -1 3 360.805 3.028 20 0 FGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)CCc1ccc2[nH]ccc2c1 ZINC000182441769 495565062 /nfs/dbraw/zinc/56/50/62/495565062.db2.gz CAFJGIUWRWLPKU-UHFFFAOYSA-N -1 3 355.394 3.466 20 0 FGADHM CC(C)OC(=O)C[C@@H]1CCCN(C(=O)Cc2ccc([O-])cc2Cl)C1 ZINC000185413328 495568909 /nfs/dbraw/zinc/56/89/09/495568909.db2.gz ATYROBBKFJKEPS-ZDUSSCGKSA-N -1 3 353.846 3.168 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@H]2CCCC[C@@H]2C)c1 ZINC000179386659 495570806 /nfs/dbraw/zinc/57/08/06/495570806.db2.gz MYRMNDNRXXDVBP-ZBEGNZNMSA-N -1 3 357.410 3.249 20 0 FGADHM Cc1ccc(C(=O)Nc2ccccc2[O-])cc1S(=O)(=O)NC1CCCC1 ZINC000176266268 495570849 /nfs/dbraw/zinc/57/08/49/495570849.db2.gz ROVFQQMLLTWJQY-UHFFFAOYSA-N -1 3 374.462 3.174 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NC[C@H]2CCC[C@@H](C)C2)c1 ZINC000185434021 495575879 /nfs/dbraw/zinc/57/58/79/495575879.db2.gz TVVRAAGYECXICK-OCCSQVGLSA-N -1 3 371.437 3.497 20 0 FGADHM Cc1ccc(NC(=O)c2ccc3c(c2[O-])CCCC3)cc1NS(C)(=O)=O ZINC000185443761 495579649 /nfs/dbraw/zinc/57/96/49/495579649.db2.gz JVXIHTINFLRRGH-UHFFFAOYSA-N -1 3 374.462 3.203 20 0 FGADHM O=C(c1cc(Cl)cc(Br)c1[O-])N1CC[C@@H](N2CCCC2)C1 ZINC000176286546 495580250 /nfs/dbraw/zinc/58/02/50/495580250.db2.gz AWTOOBMRLUKBIF-LLVKDONJSA-N -1 3 373.678 3.118 20 0 FGADHM O=C(NC1CC1)[C@H]1CCCN1C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000179436033 495590657 /nfs/dbraw/zinc/59/06/57/495590657.db2.gz IISBSCXTFKVADW-GOSISDBHSA-N -1 3 366.417 3.068 20 0 FGADHM Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)c2ccc3c(c2)C(=O)[N-]C3=O)o1 ZINC000173566863 495591661 /nfs/dbraw/zinc/59/16/61/495591661.db2.gz SIUHFEMHFOSBER-MEDUHNTESA-N -1 3 352.390 3.085 20 0 FGADHM Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)CCc2c(C)nc(C)[n-]c2=O)o1 ZINC000173573939 495595378 /nfs/dbraw/zinc/59/53/78/495595378.db2.gz NKMFSPZONCIGSW-PXAZEXFGSA-N -1 3 357.454 3.221 20 0 FGADHM COC(=O)[C@H](C)SCc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000154382162 495599962 /nfs/dbraw/zinc/59/99/62/495599962.db2.gz FMWWTCUBDRLMIQ-QMMMGPOBSA-N -1 3 350.421 3.039 20 0 FGADHM CCO[C@H]1C[C@H](NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)C12CCC2 ZINC000154391108 495602538 /nfs/dbraw/zinc/60/25/38/495602538.db2.gz BVYCVCOELGTBPZ-HOTGVXAUSA-N -1 3 358.413 3.053 20 0 FGADHM O=C(Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1)c1cccc([O-])c1 ZINC000182540694 495606306 /nfs/dbraw/zinc/60/63/06/495606306.db2.gz FZFDPBYVRWFOLO-UHFFFAOYSA-N -1 3 355.785 3.151 20 0 FGADHM CS(=O)(=O)[N-]c1ccc(C(=O)COc2ccc(Cl)c(F)c2)cc1 ZINC000179492609 495613011 /nfs/dbraw/zinc/61/30/11/495613011.db2.gz YVFGDWUUYGLLAV-UHFFFAOYSA-N -1 3 357.790 3.112 20 0 FGADHM CCOc1cccc(CNc2ccc(OC)c([N-]S(C)(=O)=O)c2)c1 ZINC000158955082 495624208 /nfs/dbraw/zinc/62/42/08/495624208.db2.gz FQIDYUPVFOKCHP-UHFFFAOYSA-N -1 3 350.440 3.078 20 0 FGADHM Cc1cc(C)n(-c2ccc([C@@H](C)NC(=O)c3ccc(O)cc3[O-])cc2)n1 ZINC000179519598 495626216 /nfs/dbraw/zinc/62/62/16/495626216.db2.gz WHDAJIDWKCNLRN-CQSZACIVSA-N -1 3 351.406 3.391 20 0 FGADHM COc1ccc(CC[N-]S(=O)(=O)c2ccc(F)cc2Cl)cc1F ZINC000170873923 495636128 /nfs/dbraw/zinc/63/61/28/495636128.db2.gz DPPDJEGBYPRNCO-UHFFFAOYSA-N -1 3 361.797 3.148 20 0 FGADHM CC(C)[C@@H]1CCC[C@H](NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])C1 ZINC000170903120 495647946 /nfs/dbraw/zinc/64/79/46/495647946.db2.gz BCZOLSYUEHVOCN-RYRKJORJSA-N -1 3 358.482 3.328 20 0 FGADHM C[C@H]([N-]S(=O)(=O)C[C@@H]1CCCCO1)c1nc(-c2ccccc2)cs1 ZINC000170960626 495669184 /nfs/dbraw/zinc/66/91/84/495669184.db2.gz WOJYBUDBSXIOSE-ZFWWWQNUSA-N -1 3 366.508 3.360 20 0 FGADHM 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/nfs/dbraw/zinc/71/59/93/495715993.db2.gz UCIAYLOTHPLZOL-LPHOPBHVSA-N -1 3 355.434 3.204 20 0 FGADHM NC(=O)CCSc1ccccc1NC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000185824928 495739246 /nfs/dbraw/zinc/73/92/46/495739246.db2.gz VTWIBLJJSBHTBC-UHFFFAOYSA-N -1 3 370.474 3.491 20 0 FGADHM COc1ccccc1-c1nc(NC(=O)c2cc(C)c(OC)c(C)c2)n[n-]1 ZINC000179820798 495748240 /nfs/dbraw/zinc/74/82/40/495748240.db2.gz RTFRGNNHPYBKDO-UHFFFAOYSA-N -1 3 352.394 3.358 20 0 FGADHM COc1cccc(F)c1[C@@H](C)[N-]S(=O)(=O)Cc1noc2ccccc21 ZINC000185849657 495749243 /nfs/dbraw/zinc/74/92/43/495749243.db2.gz GZKNGHPBURDAGG-LLVKDONJSA-N -1 3 364.398 3.156 20 0 FGADHM C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCCc2cccc([O-])c21 ZINC000182936592 495764586 /nfs/dbraw/zinc/76/45/86/495764586.db2.gz LCLPHXBDLUUANX-LBPRGKRZSA-N -1 3 358.825 3.143 20 0 FGADHM NC(=O)c1ccc(C(=O)[N-]c2nnc(-c3ccccc3Cl)s2)s1 ZINC000171202339 495766893 /nfs/dbraw/zinc/76/68/93/495766893.db2.gz RAGDOZSDONJXOD-UHFFFAOYSA-N -1 3 364.839 3.271 20 0 FGADHM 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Cc1ccc(OCCCC(=O)Nc2nnc(-c3ccccn3)[n-]2)cc1C ZINC000174124808 495828691 /nfs/dbraw/zinc/82/86/91/495828691.db2.gz XXFBUBRJPRNGSG-UHFFFAOYSA-N -1 3 351.410 3.281 20 0 FGADHM Cc1ccc(OCCCC(=O)Nc2nc(-c3ccccn3)n[n-]2)cc1C ZINC000174124808 495828696 /nfs/dbraw/zinc/82/86/96/495828696.db2.gz XXFBUBRJPRNGSG-UHFFFAOYSA-N -1 3 351.410 3.281 20 0 FGADHM Cc1ccc(OCCCC(=O)Nc2n[n-]c(-c3ccccn3)n2)cc1C ZINC000174124808 495828698 /nfs/dbraw/zinc/82/86/98/495828698.db2.gz XXFBUBRJPRNGSG-UHFFFAOYSA-N -1 3 351.410 3.281 20 0 FGADHM COc1ccc(CNC(=O)c2ccc3n[n-]nc3c2)cc1OC1CCCC1 ZINC000171343204 495828987 /nfs/dbraw/zinc/82/89/87/495828987.db2.gz FLCUUQRJNPXMJN-UHFFFAOYSA-N -1 3 366.421 3.218 20 0 FGADHM CCCCOCCC[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000155083186 495829713 /nfs/dbraw/zinc/82/97/13/495829713.db2.gz JHYYPKNUSQTCJO-UHFFFAOYSA-N -1 3 368.268 3.073 20 0 FGADHM COCc1ccsc1C(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000180041013 495833866 /nfs/dbraw/zinc/83/38/66/495833866.db2.gz IUZYPSWOASAHFZ-UHFFFAOYSA-N -1 3 374.462 3.091 20 0 FGADHM CCCCc1ccc(NC(=O)c2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)cc1 ZINC000176958127 495857047 /nfs/dbraw/zinc/85/70/47/495857047.db2.gz GARMZARSZUELEX-OAQYLSRUSA-N -1 3 365.433 3.336 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)NCC3(c4ccccc4)CC3)c[n-]c12 ZINC000155166403 495859468 /nfs/dbraw/zinc/85/94/68/495859468.db2.gz JMJZYTQKMWIVFO-UHFFFAOYSA-N -1 3 350.393 3.437 20 0 FGADHM COc1cc(OC)cc(C(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000151548325 495874989 /nfs/dbraw/zinc/87/49/89/495874989.db2.gz VNNOQQNQZGWXKX-UHFFFAOYSA-N -1 3 366.211 3.102 20 0 FGADHM O=C(c1ccccc1[O-])N1CCC[C@@H]1C(=O)N1CCC2(C1)CCCCC2 ZINC000174238504 495877732 /nfs/dbraw/zinc/87/77/32/495877732.db2.gz NYTJVWZQHUYKAG-QGZVFWFLSA-N -1 3 356.466 3.180 20 0 FGADHM O=S(=O)([N-]Cc1ccccn1)c1cc(Cl)ccc1OCCC1CC1 ZINC000186175613 495884693 /nfs/dbraw/zinc/88/46/93/495884693.db2.gz ZBXBBRRYFSSJKQ-UHFFFAOYSA-N -1 3 366.870 3.392 20 0 FGADHM O=C(Nc1ccc(Cl)cn1)[C@H]1CCCN(Cc2cc([O-])cc(F)c2)C1 ZINC000186189212 495889629 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CCOC(=O)c1cc(NC(=O)c2sc(C)nc2-c2ccccc2)n[n-]1 ZINC000183274790 495912133 /nfs/dbraw/zinc/91/21/33/495912133.db2.gz ZLURSLJXIGPXDQ-UHFFFAOYSA-N -1 3 356.407 3.271 20 0 FGADHM CCOC(=O)c1cc(NC(=O)c2sc(C)nc2-c2ccccc2)[n-]n1 ZINC000183274790 495912135 /nfs/dbraw/zinc/91/21/35/495912135.db2.gz ZLURSLJXIGPXDQ-UHFFFAOYSA-N -1 3 356.407 3.271 20 0 FGADHM CCOc1ccc(C(=O)NCC(=O)N2CC[C@@H](C)c3cccc([O-])c32)cc1 ZINC000186264559 495919308 /nfs/dbraw/zinc/91/93/08/495919308.db2.gz NDEFPIYQWHHXRI-CQSZACIVSA-N -1 3 368.433 3.061 20 0 FGADHM C[C@H]1CCN(C(=O)CCc2nc(-c3ccccn3)no2)c2c([O-])cccc21 ZINC000186267503 495920142 /nfs/dbraw/zinc/92/01/42/495920142.db2.gz PRRZBHANBWUARV-ZDUSSCGKSA-N -1 3 364.405 3.310 20 0 FGADHM C[C@@H]1CCN(C(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)c2c([O-])cccc21 ZINC000186291325 495931470 /nfs/dbraw/zinc/93/14/70/495931470.db2.gz VPZYLWWCRCOESW-CVEARBPZSA-N -1 3 371.481 3.160 20 0 FGADHM C[C@@H]1CCN(C(=O)[C@H]2CN(Cc3ccccc3)CCO2)c2c([O-])cccc21 ZINC000186294529 495932398 /nfs/dbraw/zinc/93/23/98/495932398.db2.gz OFZWQMPBJNURMI-OXQOHEQNSA-N -1 3 366.461 3.133 20 0 FGADHM C[C@H]1CCN(C(=O)CCCNC(=O)c2ccccc2)c2c([O-])cccc21 ZINC000186299890 495935598 /nfs/dbraw/zinc/93/55/98/495935598.db2.gz FACUSVBIJATMJS-HNNXBMFYSA-N -1 3 352.434 3.443 20 0 FGADHM Cc1oc(-c2cnn(C)c2)nc1C(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000186308068 495940316 /nfs/dbraw/zinc/94/03/16/495940316.db2.gz BDHFEBPWFHFVLA-NSHDSACASA-N -1 3 352.394 3.243 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)Nc2ccccc2OC(F)F)c([O-])c1 ZINC000183347355 495941124 /nfs/dbraw/zinc/94/11/24/495941124.db2.gz ANFWEPGRGOKIOJ-UHFFFAOYSA-N -1 3 364.348 3.061 20 0 FGADHM Cn1ccnc1Sc1ccc(NC(=O)c2cccc3nn[n-]c32)cc1 ZINC000183354688 495945292 /nfs/dbraw/zinc/94/52/92/495945292.db2.gz LZXWYLZBTAUZSU-UHFFFAOYSA-N -1 3 350.407 3.095 20 0 FGADHM Cn1ccnc1Sc1ccc(NC(=O)c2cccc3[n-]nnc32)cc1 ZINC000183354688 495945297 /nfs/dbraw/zinc/94/52/97/495945297.db2.gz LZXWYLZBTAUZSU-UHFFFAOYSA-N -1 3 350.407 3.095 20 0 FGADHM Cn1ccnc1Sc1ccc(NC(=O)c2cccc3n[n-]nc32)cc1 ZINC000183354688 495945299 /nfs/dbraw/zinc/94/52/99/495945299.db2.gz LZXWYLZBTAUZSU-UHFFFAOYSA-N -1 3 350.407 3.095 20 0 FGADHM CC1(C)COCCN1Cc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000171632697 495956634 /nfs/dbraw/zinc/95/66/34/495956634.db2.gz UAIJBGJCEMZZOM-UHFFFAOYSA-N -1 3 355.463 3.262 20 0 FGADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]C2(C)CCCCC2)cc1Cl ZINC000171630906 495956833 /nfs/dbraw/zinc/95/68/33/495956833.db2.gz JCAJAZXXMRFIKD-UHFFFAOYSA-N -1 3 362.854 3.439 20 0 FGADHM C[C@@H]1CCN(C(=O)CSc2nnc3ccccn32)c2c([O-])cccc21 ZINC000186343605 495957305 /nfs/dbraw/zinc/95/73/05/495957305.db2.gz WQENELNYNAIZHZ-GFCCVEGCSA-N -1 3 354.435 3.067 20 0 FGADHM Cn1[n-]c([C@@H]2CCCN2C(=O)CCCc2csc3ccccc23)nc1=N ZINC000571784436 505814714 /nfs/dbraw/zinc/81/47/14/505814714.db2.gz YVAFIWZNNGJETO-HNNXBMFYSA-N -1 3 369.494 3.129 20 0 FGADHM O=C(Nc1ccccc1OC[C@@H]1CCCCO1)c1cccc2nn[n-]c21 ZINC000183476942 496000858 /nfs/dbraw/zinc/00/08/58/496000858.db2.gz SMTUGYTUVWINBR-ZDUSSCGKSA-N -1 3 352.394 3.158 20 0 FGADHM O=C(Nc1ccccc1OC[C@@H]1CCCCO1)c1cccc2[n-]nnc21 ZINC000183476942 496000864 /nfs/dbraw/zinc/00/08/64/496000864.db2.gz SMTUGYTUVWINBR-ZDUSSCGKSA-N -1 3 352.394 3.158 20 0 FGADHM O=C(Nc1ccccc1OC[C@@H]1CCCCO1)c1cccc2n[n-]nc21 ZINC000183476942 496000874 /nfs/dbraw/zinc/00/08/74/496000874.db2.gz SMTUGYTUVWINBR-ZDUSSCGKSA-N -1 3 352.394 3.158 20 0 FGADHM O=S(=O)([N-][C@@H](c1nccs1)c1ccccc1)c1ccc(Cl)nc1 ZINC000171713462 496001720 /nfs/dbraw/zinc/00/17/20/496001720.db2.gz GNOQJLQSAKFYNO-CQSZACIVSA-N -1 3 365.867 3.259 20 0 FGADHM COc1ccc(OCCS(=O)(=O)[N-]c2cccc(-c3cnco3)c2)cc1 ZINC000151954330 496003512 /nfs/dbraw/zinc/00/35/12/496003512.db2.gz IMNLGPRQFOPWSZ-UHFFFAOYSA-N -1 3 374.418 3.171 20 0 FGADHM CC(C)n1cnc(S(=O)(=O)[N-]Cc2ccccc2OC2CCCC2)c1 ZINC000151957479 496004556 /nfs/dbraw/zinc/00/45/56/496004556.db2.gz NYPAWGXZCFBYHY-UHFFFAOYSA-N -1 3 363.483 3.264 20 0 FGADHM COc1ccc2cccc(CC(=O)Nc3ccc(-c4nnn[n-]4)cc3)c2c1 ZINC000151963949 496006973 /nfs/dbraw/zinc/00/69/73/496006973.db2.gz STZZDQXBXBSGFC-UHFFFAOYSA-N -1 3 359.389 3.210 20 0 FGADHM COc1ccc2cccc(CC(=O)Nc3ccc(-c4nn[n-]n4)cc3)c2c1 ZINC000151963949 496006981 /nfs/dbraw/zinc/00/69/81/496006981.db2.gz STZZDQXBXBSGFC-UHFFFAOYSA-N -1 3 359.389 3.210 20 0 FGADHM Cc1[nH]c(C(=O)N2CCCc3cccc([O-])c32)c(C)c1C(=O)OC(C)C ZINC000155652245 496025048 /nfs/dbraw/zinc/02/50/48/496025048.db2.gz NWQGZFZAAGGIOC-UHFFFAOYSA-N -1 3 356.422 3.495 20 0 FGADHM CC(C)n1cnnc1CNC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000177406629 496050603 /nfs/dbraw/zinc/05/06/03/496050603.db2.gz XIAXRGNPJJGKCA-UHFFFAOYSA-N -1 3 352.394 3.287 20 0 FGADHM C[C@@H](C(=O)Nc1ccc(F)c([N-]S(C)(=O)=O)c1)c1ccccc1F ZINC000171822037 496051728 /nfs/dbraw/zinc/05/17/28/496051728.db2.gz CARRZGSPFFLGDG-SNVBAGLBSA-N -1 3 354.378 3.079 20 0 FGADHM C[C@H]1CN(C(=O)c2c[n-]c3ccccc3c2=O)C[C@H](c2ccc(F)cc2)O1 ZINC000152155829 496064735 /nfs/dbraw/zinc/06/47/35/496064735.db2.gz LFHQUOZYJHTYIT-ORAYPTAESA-N -1 3 366.392 3.269 20 0 FGADHM CCCn1c(=O)[n-]nc1SCc1ccn(-c2c(F)cccc2F)n1 ZINC000155796221 496070807 /nfs/dbraw/zinc/07/08/07/496070807.db2.gz VOLSLSXZLWCRDL-UHFFFAOYSA-N -1 3 351.382 3.150 20 0 FGADHM CCOC(=O)c1ccsc1[N-]C(=O)C(=O)N(C)[C@@H](C)c1ccc(C)cc1 ZINC000174727803 496078830 /nfs/dbraw/zinc/07/88/30/496078830.db2.gz CPDSXKIQHDZTPJ-ZDUSSCGKSA-N -1 3 374.462 3.391 20 0 FGADHM CC(C)OCCN1CCC(NC(=O)c2ccc(C(F)(F)F)cc2[O-])CC1 ZINC000180660742 496092800 /nfs/dbraw/zinc/09/28/00/496092800.db2.gz QWBPFZHSEZPOSF-UHFFFAOYSA-N -1 3 374.403 3.030 20 0 FGADHM C[C@H](OC[C@H]1CCCCO1)C(=O)Nc1nnc(-c2cc3ccccc3o2)[n-]1 ZINC000580722170 505823057 /nfs/dbraw/zinc/82/30/57/505823057.db2.gz ASHPHEBGCULPAD-GXTWGEPZSA-N -1 3 370.409 3.131 20 0 FGADHM C[C@H](OC[C@H]1CCCCO1)C(=O)Nc1nc(-c2cc3ccccc3o2)n[n-]1 ZINC000580722170 505823061 /nfs/dbraw/zinc/82/30/61/505823061.db2.gz ASHPHEBGCULPAD-GXTWGEPZSA-N -1 3 370.409 3.131 20 0 FGADHM C[C@H](OC[C@H]1CCCCO1)C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000580722170 505823064 /nfs/dbraw/zinc/82/30/64/505823064.db2.gz ASHPHEBGCULPAD-GXTWGEPZSA-N -1 3 370.409 3.131 20 0 FGADHM C[C@H](OC[C@@H]1CCCCO1)C(=O)Nc1nnc(-c2cc3ccccc3o2)[n-]1 ZINC000580722171 505823130 /nfs/dbraw/zinc/82/31/30/505823130.db2.gz ASHPHEBGCULPAD-JSGCOSHPSA-N -1 3 370.409 3.131 20 0 FGADHM C[C@H](OC[C@@H]1CCCCO1)C(=O)Nc1nc(-c2cc3ccccc3o2)n[n-]1 ZINC000580722171 505823134 /nfs/dbraw/zinc/82/31/34/505823134.db2.gz ASHPHEBGCULPAD-JSGCOSHPSA-N -1 3 370.409 3.131 20 0 FGADHM C[C@H](OC[C@@H]1CCCCO1)C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000580722171 505823137 /nfs/dbraw/zinc/82/31/37/505823137.db2.gz ASHPHEBGCULPAD-JSGCOSHPSA-N -1 3 370.409 3.131 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(OCC3CC3)cc2)cc1F ZINC000171955967 496108068 /nfs/dbraw/zinc/10/80/68/496108068.db2.gz IPFARDAVIKQEHJ-UHFFFAOYSA-N -1 3 351.399 3.424 20 0 FGADHM Cn1cc(-c2cccc(CNC(=O)Cc3ccc([O-])cc3Cl)c2)cn1 ZINC000155926177 496109429 /nfs/dbraw/zinc/10/94/29/496109429.db2.gz FAFOWQHGXZSLNO-UHFFFAOYSA-N -1 3 355.825 3.305 20 0 FGADHM O=C(Cc1cncc([O-])c1)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000580725177 505823781 /nfs/dbraw/zinc/82/37/81/505823781.db2.gz PKNMPNAMSORRHW-QGZVFWFLSA-N -1 3 364.405 3.134 20 0 FGADHM O=C(CSc1nnc(Cc2ccccc2F)o1)Nc1ccccc1[O-] ZINC000180704739 496111048 /nfs/dbraw/zinc/11/10/48/496111048.db2.gz IYPIZVVOMVNVIY-UHFFFAOYSA-N -1 3 359.382 3.236 20 0 FGADHM CC[C@@H](c1ccccc1)S(=O)(=O)Cc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000156012094 496132134 /nfs/dbraw/zinc/13/21/34/496132134.db2.gz OCTJKFPFPSAJOE-NSHDSACASA-N -1 3 360.357 3.267 20 0 FGADHM CC(=O)N[C@@H](CC(=O)Nc1cc(F)ccc1[O-])c1ccc(Cl)cc1 ZINC000174879346 496145754 /nfs/dbraw/zinc/14/57/54/496145754.db2.gz SHFOWLYUCDCRJC-AWEZNQCLSA-N -1 3 350.777 3.391 20 0 FGADHM O=C(CCCN1CCN(c2ccccc2)CC1)Nc1cc(F)ccc1[O-] ZINC000174882053 496147660 /nfs/dbraw/zinc/14/76/60/496147660.db2.gz RCESFRCAYDDXRJ-UHFFFAOYSA-N -1 3 357.429 3.072 20 0 FGADHM CC(=O)N(C)c1ccccc1NC(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000152432870 496149736 /nfs/dbraw/zinc/14/97/36/496149736.db2.gz YZDPMIMOEFYMJU-UHFFFAOYSA-N -1 3 367.380 3.211 20 0 FGADHM C[C@]1(C[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CCCO1 ZINC000156090466 496155138 /nfs/dbraw/zinc/15/51/38/496155138.db2.gz HUTOXRJCXGURMA-GFCCVEGCSA-N -1 3 357.781 3.206 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CC23CCCCC3)c1 ZINC000183930087 496165539 /nfs/dbraw/zinc/16/55/39/496165539.db2.gz MIELCJLCLAGEQV-QGZVFWFLSA-N -1 3 369.421 3.394 20 0 FGADHM CC(C)(C)c1cc2c([n-]c(Cn3cc(Br)cn3)nc2=O)s1 ZINC000156125851 496165576 /nfs/dbraw/zinc/16/55/76/496165576.db2.gz QPQRSQGXKVEQEB-UHFFFAOYSA-N -1 3 367.272 3.289 20 0 FGADHM CCOC(=O)c1[nH]c(C)c(S(=O)(=O)[N-]c2ccc(C)cc2F)c1C ZINC000177719148 496170446 /nfs/dbraw/zinc/17/04/46/496170446.db2.gz PPNGEKHGZBSFMY-UHFFFAOYSA-N -1 3 354.403 3.057 20 0 FGADHM CCOC(=O)c1[nH]c(C)c(S(=O)(=O)[N-]c2ccc(Cl)cc2F)c1C ZINC000177719118 496171179 /nfs/dbraw/zinc/17/11/79/496171179.db2.gz DWTDDOBMLFLSIY-UHFFFAOYSA-N -1 3 374.821 3.402 20 0 FGADHM Cc1nc(S(=O)(=O)[C@H](C)c2nc(C3CC3)no2)[n-]c1-c1ccccc1 ZINC000186849813 496179809 /nfs/dbraw/zinc/17/98/09/496179809.db2.gz ZXNXQYYMXNORSL-LLVKDONJSA-N -1 3 358.423 3.180 20 0 FGADHM CCCCC1CCC(NC(=O)c2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)CC1 ZINC000177765952 496187960 /nfs/dbraw/zinc/18/79/60/496187960.db2.gz ZPSMBVDILRTLDG-KDDGLUCOSA-N -1 3 371.481 3.220 20 0 FGADHM Cc1ccc2c(c1)[C@H]([N-]S(=O)(=O)c1ccccc1Br)CO2 ZINC000152561751 496188943 /nfs/dbraw/zinc/18/89/43/496188943.db2.gz OPNMUASJZMLMQJ-CYBMUJFWSA-N -1 3 368.252 3.170 20 0 FGADHM CCOC(=O)c1cc(NC(=O)[C@H]2C[C@@H]2c2ccccc2C(F)(F)F)n[n-]1 ZINC000180939957 496208411 /nfs/dbraw/zinc/20/84/11/496208411.db2.gz YCKQBIVVORQJLB-MNOVXSKESA-N -1 3 367.327 3.347 20 0 FGADHM CCOC(=O)c1cc(NC(=O)[C@H]2C[C@@H]2c2ccccc2C(F)(F)F)[n-]n1 ZINC000180939957 496208416 /nfs/dbraw/zinc/20/84/16/496208416.db2.gz YCKQBIVVORQJLB-MNOVXSKESA-N -1 3 367.327 3.347 20 0 FGADHM COC(=O)c1ccc(-c2nc(C[S@](=O)c3cccc([O-])c3)co2)cc1 ZINC000184032133 496211274 /nfs/dbraw/zinc/21/12/74/496211274.db2.gz QWXPIXDMTXDGBN-VWLOTQADSA-N -1 3 357.387 3.142 20 0 FGADHM CCc1cc(C(=O)N2CCCN(Cc3ccc(F)cc3)CC2)ccc1[O-] ZINC000569012648 505830192 /nfs/dbraw/zinc/83/01/92/505830192.db2.gz FLWBYMIRKLXMBN-UHFFFAOYSA-N -1 3 356.441 3.442 20 0 FGADHM CC1(C)C[C@H]([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)CCO1 ZINC000156328888 496217010 /nfs/dbraw/zinc/21/70/10/496217010.db2.gz BZIOQUQHDILCHI-SNVBAGLBSA-N -1 3 355.353 3.080 20 0 FGADHM O=C(CCc1ccc(O)cc1)NCc1ccc([O-])c(Br)c1 ZINC000184056560 496220918 /nfs/dbraw/zinc/22/09/18/496220918.db2.gz CPCNFFBWTITTOR-UHFFFAOYSA-N -1 3 350.212 3.109 20 0 FGADHM Cc1cc(CN2CCSCC2)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000180973127 496225857 /nfs/dbraw/zinc/22/58/57/496225857.db2.gz ONZJVTJAUVYLJP-UHFFFAOYSA-N -1 3 362.520 3.345 20 0 FGADHM CC[C@@H](C)NC(=O)c1cccc(CNC(=O)NCc2ccc([O-])c(F)c2)c1 ZINC000156396730 496232795 /nfs/dbraw/zinc/23/27/95/496232795.db2.gz ZZACQRAQEVNUQJ-CYBMUJFWSA-N -1 3 373.428 3.059 20 0 FGADHM CC(C)c1ccc(-n2cc([O-])c(C(=O)N(C)[C@@H]3CCN(C)[C@@H](C)C3)n2)cc1 ZINC000175104202 496248307 /nfs/dbraw/zinc/24/83/07/496248307.db2.gz SKICTODVBRAPOS-MAUKXSAKSA-N -1 3 370.497 3.256 20 0 FGADHM O=C1[C@@H]([N-]c2nnc(C(F)(F)F)s2)CCCN1c1ccccc1F ZINC000156517914 496266563 /nfs/dbraw/zinc/26/65/63/496266563.db2.gz RMWOPBYAYYDXCA-VIFPVBQESA-N -1 3 360.336 3.304 20 0 FGADHM COc1ccc(CCC[N-]S(=O)(=O)c2c(C)cccc2F)cc1OC ZINC000184167659 496268526 /nfs/dbraw/zinc/26/85/26/496268526.db2.gz GWDWFPZAXBIXPI-UHFFFAOYSA-N -1 3 367.442 3.062 20 0 FGADHM Cc1ccc(Oc2ccc([N-]S(=O)(=O)C[C@H]3CCCO3)cn2)cc1C ZINC000172366107 496269904 /nfs/dbraw/zinc/26/99/04/496269904.db2.gz RXWSWRSMBDFTNK-QGZVFWFLSA-N -1 3 362.451 3.411 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N2C[C@@H](C)[C@H]2c2ccccc2)c([O-])c1 ZINC000175175998 496278616 /nfs/dbraw/zinc/27/86/16/496278616.db2.gz DPZUAKLVAXITCJ-QRWLVFNGSA-N -1 3 352.434 3.040 20 0 FGADHM CCOC(=O)c1ccc(NC(=O)CCc2nc3ccccc3[nH]2)c([O-])c1 ZINC000172394688 496280453 /nfs/dbraw/zinc/28/04/53/496280453.db2.gz SRNWLHRVNFHACO-UHFFFAOYSA-N -1 3 353.378 3.017 20 0 FGADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@H]1CCCc2sccc21 ZINC000184235812 496298467 /nfs/dbraw/zinc/29/84/67/496298467.db2.gz PQJPDZZYJYZJOU-ZDUSSCGKSA-N -1 3 369.439 3.030 20 0 FGADHM Cc1nc2ccccc2n1CCC[N-]S(=O)(=O)c1cccc(C)c1F ZINC000181188822 496305065 /nfs/dbraw/zinc/30/50/65/496305065.db2.gz NNLIBWQMYXHVOE-UHFFFAOYSA-N -1 3 361.442 3.161 20 0 FGADHM O=C(NCC1(O)CCCCC1)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000187166678 496321861 /nfs/dbraw/zinc/32/18/61/496321861.db2.gz MHFZCHYOMOBQKZ-UHFFFAOYSA-N -1 3 353.418 3.048 20 0 FGADHM Cc1cccc(F)c1S(=O)(=O)[N-][C@@H](c1nc(C2CC2)no1)C(C)C ZINC000184347038 496343698 /nfs/dbraw/zinc/34/36/98/496343698.db2.gz ADJSDDXMGKEDQH-CYBMUJFWSA-N -1 3 353.419 3.070 20 0 FGADHM COC[C@H]([N-]S(=O)(=O)c1cccc(Br)c1)c1ccc(C)o1 ZINC000175346309 496348451 /nfs/dbraw/zinc/34/84/51/496348451.db2.gz RZSSHCNGRNVPLB-ZDUSSCGKSA-N -1 3 374.256 3.017 20 0 FGADHM C[C@@H]1CCN(Cc2nc3ccc(Br)cc3n2C)[C@@H](C(=O)[O-])C1 ZINC000571887987 505838893 /nfs/dbraw/zinc/83/88/93/505838893.db2.gz FTODARJHOINACT-QMTHXVAHSA-N -1 3 366.259 3.021 20 0 FGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)NC1C[C@H](C)C[C@@H](C)C1 ZINC000172594157 496357591 /nfs/dbraw/zinc/35/75/91/496357591.db2.gz FAFLVVWICMTRLV-ZIAGYGMSSA-N -1 3 368.481 3.014 20 0 FGADHM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cc(C)cc(F)c2)c1 ZINC000178181929 496359851 /nfs/dbraw/zinc/35/98/51/496359851.db2.gz FBBHPZOVMNSZQA-UHFFFAOYSA-N -1 3 357.790 3.375 20 0 FGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)c2cccc(Cl)c2F)c1 ZINC000156961180 496374598 /nfs/dbraw/zinc/37/45/98/496374598.db2.gz VGASSEFDPKGSIW-UHFFFAOYSA-N -1 3 356.806 3.411 20 0 FGADHM Cc1nc(-c2ccccn2)sc1C(=O)[N-]c1nc2ccc(Cl)cn2n1 ZINC000157003156 496382215 /nfs/dbraw/zinc/38/22/15/496382215.db2.gz RVEPLRKBIZPOBA-UHFFFAOYSA-N -1 3 370.825 3.462 20 0 FGADHM Cc1cccc(S(=O)(=O)[N-][C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)c1F ZINC000181425257 496389978 /nfs/dbraw/zinc/38/99/78/496389978.db2.gz QTPANLCKSXIWPF-RHSMWYFYSA-N -1 3 371.380 3.221 20 0 FGADHM CCCCS[C@@H](C)C(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000178342220 496419112 /nfs/dbraw/zinc/41/91/12/496419112.db2.gz SXMGFAVUHISPDT-AWEZNQCLSA-N -1 3 364.511 3.491 20 0 FGADHM CCCCSCCC(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000178351933 496423853 /nfs/dbraw/zinc/42/38/53/496423853.db2.gz YOMXNQWJCJTIDY-UHFFFAOYSA-N -1 3 364.511 3.493 20 0 FGADHM O=C(Nc1nc2cc(C(F)(F)F)ccc2[nH]1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000578024051 505843720 /nfs/dbraw/zinc/84/37/20/505843720.db2.gz LYHAFPQUUBUVCX-UHFFFAOYSA-N -1 3 363.299 3.207 20 0 FGADHM O=C(Nc1nc2ccc(C(F)(F)F)cc2[nH]1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000578024051 505843723 /nfs/dbraw/zinc/84/37/23/505843723.db2.gz LYHAFPQUUBUVCX-UHFFFAOYSA-N -1 3 363.299 3.207 20 0 FGADHM Cn1cnnc1[N-]C(=O)c1csc(-c2ccc(Br)s2)n1 ZINC000157243203 496436801 /nfs/dbraw/zinc/43/68/01/496436801.db2.gz MJCVRKHWJADUBB-UHFFFAOYSA-N -1 3 370.257 3.015 20 0 FGADHM COc1cccc(C(=O)N2CCN([C@@H](C)c3cccc(F)c3)CC2)c1[O-] ZINC000175558015 496441523 /nfs/dbraw/zinc/44/15/23/496441523.db2.gz ZLTQRXWENVBRHG-AWEZNQCLSA-N -1 3 358.413 3.059 20 0 FGADHM COc1cccc(C(=O)N2CCN([C@H](C)c3cccc(F)c3)CC2)c1[O-] ZINC000175558032 496441914 /nfs/dbraw/zinc/44/19/14/496441914.db2.gz ZLTQRXWENVBRHG-CQSZACIVSA-N -1 3 358.413 3.059 20 0 FGADHM CC[C@H]1[C@@H](C)CCN1C(=O)Cc1csc(NC(=O)c2cccc([O-])c2)n1 ZINC000187442424 496442285 /nfs/dbraw/zinc/44/22/85/496442285.db2.gz XNIYDIUKCIWTOY-LRDDRELGSA-N -1 3 373.478 3.291 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)N1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000175566895 496444951 /nfs/dbraw/zinc/44/49/51/496444951.db2.gz WWPVWYHMVGZURA-XJKSGUPXSA-N -1 3 364.442 3.391 20 0 FGADHM CC[C@H](NC(=O)NCc1ccc([O-])c(F)c1)c1ccc2c(c1)OCCO2 ZINC000157279453 496445251 /nfs/dbraw/zinc/44/52/51/496445251.db2.gz NWIUDGNCAOBZAC-HNNXBMFYSA-N -1 3 360.385 3.253 20 0 FGADHM O=C(Cc1ccccc1I)Nc1cc(F)ccc1[O-] ZINC000157310322 496451036 /nfs/dbraw/zinc/45/10/36/496451036.db2.gz KDEIEMUIMROXGI-UHFFFAOYSA-N -1 3 371.149 3.317 20 0 FGADHM Cc1ccc2cc(C(=O)Nc3ccc(F)c([N-]S(C)(=O)=O)c3)ccc2n1 ZINC000178447936 496460381 /nfs/dbraw/zinc/46/03/81/496460381.db2.gz PODHHGVWZQKRHU-UHFFFAOYSA-N -1 3 373.409 3.306 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)NCCCOc3ccccc3)c[n-]c12 ZINC000178453495 496461915 /nfs/dbraw/zinc/46/19/15/496461915.db2.gz BEOKOAYCQCDJHF-UHFFFAOYSA-N -1 3 354.381 3.175 20 0 FGADHM CN1C(=O)c2cc(Br)ccc2N[C@@H]1c1cc([O-])cc(F)c1 ZINC000184610524 496463639 /nfs/dbraw/zinc/46/36/39/496463639.db2.gz VALARIZQGQNINU-AWEZNQCLSA-N -1 3 351.175 3.490 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-][C@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000181598917 496463819 /nfs/dbraw/zinc/46/38/19/496463819.db2.gz JCRUSSASBYIPIU-JSGCOSHPSA-N -1 3 373.883 3.219 20 0 FGADHM C[C@H]1CCC[C@H](C(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)C1 ZINC000157422683 496474719 /nfs/dbraw/zinc/47/47/19/496474719.db2.gz HPVLNFIHQJOQMO-RYUDHWBXSA-N -1 3 354.447 3.031 20 0 FGADHM COC(=O)c1ccsc1[N-]C(=O)C(=O)N1CCC[C@@H]1c1ccccc1C ZINC000163244964 496487803 /nfs/dbraw/zinc/48/78/03/496487803.db2.gz PWKFQKSAMIGKEN-OAHLLOKOSA-N -1 3 372.446 3.145 20 0 FGADHM Cc1cc(C(=O)NCC(C)C)ccc1NC([O-])=NOCc1cccnc1 ZINC000184674713 496489251 /nfs/dbraw/zinc/48/92/51/496489251.db2.gz PJHFAZQZLGDIPU-UHFFFAOYSA-N -1 3 356.426 3.029 20 0 FGADHM Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)[N-]OCc1cccnc1 ZINC000184674713 496489254 /nfs/dbraw/zinc/48/92/54/496489254.db2.gz PJHFAZQZLGDIPU-UHFFFAOYSA-N -1 3 356.426 3.029 20 0 FGADHM O=C([O-])[C@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cccc(CN2CCCC2)c1 ZINC000187560640 496490735 /nfs/dbraw/zinc/49/07/35/496490735.db2.gz QOVZDPFAXLNZCD-YTQUADARSA-N -1 3 356.466 3.140 20 0 FGADHM CCOC(=O)c1csc([N-]C(=O)c2ncoc2-c2ccc(F)cc2)n1 ZINC000184694414 496496099 /nfs/dbraw/zinc/49/60/99/496496099.db2.gz SSAOQNWJABFHPP-UHFFFAOYSA-N -1 3 361.354 3.366 20 0 FGADHM COC(=O)c1cnc(SCCOc2ccccc2Br)[n-]1 ZINC000187597187 496503830 /nfs/dbraw/zinc/50/38/30/496503830.db2.gz OBATXCWPHYCLBR-UHFFFAOYSA-N -1 3 357.229 3.130 20 0 FGADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@H](C)C1CCC1 ZINC000157572627 496506937 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COC(=O)c1cccc2nc(NC(=O)c3cnc(C(C)(C)C)s3)[n-]c21 ZINC000157810240 496559759 /nfs/dbraw/zinc/55/97/59/496559759.db2.gz FGBOQPBIPINDTF-UHFFFAOYSA-N -1 3 358.423 3.356 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cnc(C(C)(C)C)s3)nc21 ZINC000157810240 496559762 /nfs/dbraw/zinc/55/97/62/496559762.db2.gz FGBOQPBIPINDTF-UHFFFAOYSA-N -1 3 358.423 3.356 20 0 FGADHM Cc1cc(C)nc(-n2cc(C(=O)Nc3ccccc3[O-])c(C(C)C)n2)n1 ZINC000157844186 496568980 /nfs/dbraw/zinc/56/89/80/496568980.db2.gz IFXASGMJQAGIMH-UHFFFAOYSA-N -1 3 351.410 3.360 20 0 FGADHM CS[C@@H](C)C[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000157891756 496578576 /nfs/dbraw/zinc/57/85/76/496578576.db2.gz SALWKVPFPGDPPC-ZETCQYMHSA-N -1 3 358.710 3.132 20 0 FGADHM COc1cc(C2(C(=O)Nc3nnc(-c4ccc(C)o4)[n-]3)CC2)ccc1C ZINC000181875124 496582337 /nfs/dbraw/zinc/58/23/37/496582337.db2.gz KFQAXVWZIWQODK-UHFFFAOYSA-N -1 3 352.394 3.360 20 0 FGADHM COc1cc(C2(C(=O)Nc3nc(-c4ccc(C)o4)n[n-]3)CC2)ccc1C ZINC000181875124 496582345 /nfs/dbraw/zinc/58/23/45/496582345.db2.gz 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368.505 3.089 20 0 FGADHM C[C@H]1C[C@H](CC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)CCO1 ZINC000574788885 505856255 /nfs/dbraw/zinc/85/62/55/505856255.db2.gz LRUMOIIGVYELPA-WDEREUQCSA-N -1 3 352.283 3.477 20 0 FGADHM COCCN(Cc1cccnc1)C(=O)c1c[n-]c2c(C)cc(C)cc2c1=O ZINC000164917182 496639806 /nfs/dbraw/zinc/63/98/06/496639806.db2.gz TVUHUEVOAURICA-UHFFFAOYSA-N -1 3 365.433 3.241 20 0 FGADHM CN1CCC[C@H](C[N-]S(=O)(=O)c2cccs2)[C@@H]1c1cccs1 ZINC000173322545 496642502 /nfs/dbraw/zinc/64/25/02/496642502.db2.gz VUUZXELDKUKYPS-IUODEOHRSA-N -1 3 356.538 3.171 20 0 FGADHM O=C(CCc1ccc2ccccc2c1O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000580874615 505857664 /nfs/dbraw/zinc/85/76/64/505857664.db2.gz LSTCMWGEAZSXNB-QGZVFWFLSA-N -1 3 351.406 3.113 20 0 FGADHM COC(=O)c1ccsc1[N-]C(=O)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000158242696 496658711 /nfs/dbraw/zinc/65/87/11/496658711.db2.gz VENZYMNHYNOUBY-UHFFFAOYSA-N -1 3 360.435 3.409 20 0 FGADHM Nc1cccc(C[N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)c1 ZINC000158269500 496663954 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Cc1nc2cc(F)cc(C(=O)[N-]c3nc4ccc(Cl)cn4n3)c2nc1C ZINC000179278866 496725260 /nfs/dbraw/zinc/72/52/60/496725260.db2.gz CJAZJIKAYDRWOV-UHFFFAOYSA-N -1 3 370.775 3.334 20 0 FGADHM CCOc1ccc(C(=O)N(C)C)cc1NC(=O)c1ccc(CC)cc1[O-] ZINC000188264920 496734235 /nfs/dbraw/zinc/73/42/35/496734235.db2.gz KGQYSGHEHGPQIC-UHFFFAOYSA-N -1 3 356.422 3.307 20 0 FGADHM COCc1nc(SCC(=O)N[C@@H](C)c2ccc(CC(C)C)cc2)n[n-]1 ZINC000268583398 496741265 /nfs/dbraw/zinc/74/12/65/496741265.db2.gz YNGHNSDUUVNEAQ-ZDUSSCGKSA-N -1 3 362.499 3.119 20 0 FGADHM CCOC1CC(CC[N-]S(=O)(=O)c2ccccc2C(F)(F)F)C1 ZINC000188293077 496743677 /nfs/dbraw/zinc/74/36/77/496743677.db2.gz LRAUYKQLLLEEEQ-UHFFFAOYSA-N -1 3 351.390 3.189 20 0 FGADHM COc1ccc([C@H](CC(=O)[O-])NCc2cccc3[nH]ccc32)cc1OC ZINC000277359440 496747448 /nfs/dbraw/zinc/74/74/48/496747448.db2.gz PTMWKDXSUZTUPI-KRWDZBQOSA-N -1 3 354.406 3.491 20 0 FGADHM CCC(=O)c1ccc(OCCCCC(=O)Nc2nnc(SC)[n-]2)cc1 ZINC000263915138 496762093 /nfs/dbraw/zinc/76/20/93/496762093.db2.gz 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COc1ncnc(OC)c1C(=O)[N-]c1ncc(-c2ccc(F)cc2)s1 ZINC000191739145 496874021 /nfs/dbraw/zinc/87/40/21/496874021.db2.gz AYCISXFYOWSCAZ-UHFFFAOYSA-N -1 3 360.370 3.009 20 0 FGADHM CC(C)CC[C@@H]1CCC[C@H]1NC(=O)c1cccc([C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000247543257 496884445 /nfs/dbraw/zinc/88/44/45/496884445.db2.gz QFHZXYLBTYPWAW-OXTHUFEASA-N -1 3 371.481 3.076 20 0 FGADHM Cc1cc(CN2CCSCC2)ccc1NC(=O)c1ccc(O)cc1[O-] ZINC000195346677 496897169 /nfs/dbraw/zinc/89/71/69/496897169.db2.gz NVHGRKAGQCUHKV-UHFFFAOYSA-N -1 3 358.463 3.207 20 0 FGADHM CC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000578152956 505873353 /nfs/dbraw/zinc/87/33/53/505873353.db2.gz MDAQQOQBALLPGT-ZDUSSCGKSA-N -1 3 358.385 3.400 20 0 FGADHM O=c1nc(Cc2noc([C@H]3CCCCO3)n2)[n-]c2scc(C3CC3)c21 ZINC000273811332 496915960 /nfs/dbraw/zinc/91/59/60/496915960.db2.gz VXSXIARRBLYTEE-LLVKDONJSA-N -1 3 358.423 3.490 20 0 FGADHM COC(=O)c1c(C)nc(=O)[n-]c1SC/C=C/c1ccc(Cl)cc1 ZINC000188865001 496932184 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CCCCc1nc(C(=O)OCC)c(NC(=O)c2ccc(CC)nc2C)[n-]1 ZINC000191964847 496946426 /nfs/dbraw/zinc/94/64/26/496946426.db2.gz VVAHOZKLRWWADO-UHFFFAOYSA-N -1 3 358.442 3.447 20 0 FGADHM CCCCc1nc(NC(=O)c2ccc(CC)nc2C)c(C(=O)OCC)[n-]1 ZINC000191964847 496946430 /nfs/dbraw/zinc/94/64/30/496946430.db2.gz VVAHOZKLRWWADO-UHFFFAOYSA-N -1 3 358.442 3.447 20 0 FGADHM CCCCc1nc(C(=O)OCC)c(NC(=O)[C@H]2OCCc3ccccc32)[n-]1 ZINC000191964471 496946875 /nfs/dbraw/zinc/94/68/75/496946875.db2.gz YHEBWDBDVVWGIZ-KRWDZBQOSA-N -1 3 371.437 3.182 20 0 FGADHM CCCCc1nc(NC(=O)[C@H]2OCCc3ccccc32)c(C(=O)OCC)[n-]1 ZINC000191964471 496946879 /nfs/dbraw/zinc/94/68/79/496946879.db2.gz YHEBWDBDVVWGIZ-KRWDZBQOSA-N -1 3 371.437 3.182 20 0 FGADHM Cc1cc(NC(=O)c2ccc(C(=O)[O-])cc2)ccc1OCCN1CCCC1 ZINC000580951481 505875840 /nfs/dbraw/zinc/87/58/40/505875840.db2.gz ACNLHNVOXNCZGD-UHFFFAOYSA-N -1 3 368.433 3.420 20 0 FGADHM Cc1cnc([C@@H]([N-]S(=O)(=O)Cc2ccc(C)cc2F)C2CC2)s1 ZINC000192023230 496966010 /nfs/dbraw/zinc/96/60/10/496966010.db2.gz 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354.406 3.001 20 0 FGADHM Cc1ccc(C(=O)Nc2ccc(F)c([N-]S(C)(=O)=O)c2)c(Cl)c1 ZINC000192310633 497070427 /nfs/dbraw/zinc/07/04/27/497070427.db2.gz IWYUNVQEJXKXCX-UHFFFAOYSA-N -1 3 356.806 3.411 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)nc1)c1nc(C(F)(F)F)cs1 ZINC000278336947 497078576 /nfs/dbraw/zinc/07/85/76/497078576.db2.gz GVLCEZVEGNRTTH-LURJTMIESA-N -1 3 371.793 3.250 20 0 FGADHM C[C@H]1CC[C@@H](C(=O)[O-])CN1Cc1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC000578192241 505883673 /nfs/dbraw/zinc/88/36/73/505883673.db2.gz INOKIMBTJYOXBC-UONOGXRCSA-N -1 3 357.429 3.185 20 0 FGADHM CCSCc1cc(C(=O)[N-]c2ccccc2SCCC(N)=O)no1 ZINC000274402460 497090400 /nfs/dbraw/zinc/09/04/00/497090400.db2.gz GFOXCXFPHICPHW-UHFFFAOYSA-N -1 3 365.480 3.148 20 0 FGADHM O=C([N-]c1nc2ccc(F)cn2n1)c1cc(Br)c(F)cc1F ZINC000192363650 497090568 /nfs/dbraw/zinc/09/05/68/497090568.db2.gz HTCAPAXLUUODLL-UHFFFAOYSA-N -1 3 371.116 3.161 20 0 FGADHM Cc1ncc(S(=O)(=O)[N-]c2c(F)cc(Br)cc2F)s1 ZINC000229619112 497099138 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CCC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]2CCO[C@H](C)C2)c1 ZINC000281397771 498135452 /nfs/dbraw/zinc/13/54/52/498135452.db2.gz GWHKGLLAWKCTQY-VXGBXAGGSA-N -1 3 359.875 3.026 20 0 FGADHM Cc1nc(C(C)(C)[N-]S(=O)(=O)c2cc(Cl)c(C)c(Cl)c2)no1 ZINC000330457640 498135957 /nfs/dbraw/zinc/13/59/57/498135957.db2.gz HMVSILOKPLAOLZ-UHFFFAOYSA-N -1 3 364.254 3.207 20 0 FGADHM CCOc1cc(-c2noc(-c3cc(C)nc4n[nH]c(C)c43)n2)ccc1[O-] ZINC000350798295 498137126 /nfs/dbraw/zinc/13/71/26/498137126.db2.gz YUDGXNFRHJOPPD-UHFFFAOYSA-N -1 3 351.366 3.396 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H](C)c3nnc4ccccn43)nc2)n1 ZINC000301503079 498139203 /nfs/dbraw/zinc/13/92/03/498139203.db2.gz FSLDFTLWOCXEHJ-LBPRGKRZSA-N -1 3 361.409 3.022 20 0 FGADHM O=C([N-]CC1CCN(Cc2cc(-c3cccs3)on2)CC1)C(F)(F)F ZINC000281418942 498143381 /nfs/dbraw/zinc/14/33/81/498143381.db2.gz RQARHAJWUZYZPQ-UHFFFAOYSA-N -1 3 373.400 3.294 20 0 FGADHM CCc1cc(=O)[n-]c(CN[C@@H](CCO)c2ccc(Cl)c(Cl)c2)n1 ZINC000285605604 498143740 /nfs/dbraw/zinc/14/37/40/498143740.db2.gz PURJVRIWJFYQCY-AWEZNQCLSA-N -1 3 356.253 3.265 20 0 FGADHM O=c1[n-]n(CCc2nc(-c3ccc(Cl)s3)no2)c(=O)c2ccccc12 ZINC000350884082 498147040 /nfs/dbraw/zinc/14/70/40/498147040.db2.gz SHZMRSGEKGATLW-UHFFFAOYSA-N -1 3 374.809 3.110 20 0 FGADHM CCCS(=O)(=O)[N-]c1ccc(-c2nc(-c3cncs3)no2)cc1 ZINC000350905107 498149833 /nfs/dbraw/zinc/14/98/33/498149833.db2.gz FPKUPNXNQOJHPK-UHFFFAOYSA-N -1 3 350.425 3.012 20 0 FGADHM Cc1c([O-])ccc2c(CN3CCC[C@](O)(C(F)(F)F)CC3)cc(=O)oc12 ZINC000285624298 498151235 /nfs/dbraw/zinc/15/12/35/498151235.db2.gz QVDSPGPXWJPQFN-QGZVFWFLSA-N -1 3 371.355 3.086 20 0 FGADHM C[C@H](c1nc2ccccc2o1)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000281445081 498153137 /nfs/dbraw/zinc/15/31/37/498153137.db2.gz UHYFLQXRLWOEQC-LLVKDONJSA-N -1 3 355.360 3.279 20 0 FGADHM C[C@@H](c1nc2ccccc2o1)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000281445083 498154148 /nfs/dbraw/zinc/15/41/48/498154148.db2.gz UHYFLQXRLWOEQC-NSHDSACASA-N -1 3 355.360 3.279 20 0 FGADHM CCc1cccc(C)c1NC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000289461217 498156423 /nfs/dbraw/zinc/15/64/23/498156423.db2.gz ICFDTXQXQMMCKV-CYBMUJFWSA-N -1 3 371.403 3.480 20 0 FGADHM CCc1cccc(C)c1NC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000289461221 498156681 /nfs/dbraw/zinc/15/66/81/498156681.db2.gz ICFDTXQXQMMCKV-ZDUSSCGKSA-N -1 3 371.403 3.480 20 0 FGADHM CC(C)[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)CCO1 ZINC000330620783 498161296 /nfs/dbraw/zinc/16/12/96/498161296.db2.gz ANQRQLLWTDCNQP-HZMBPMFUSA-N -1 3 352.283 3.475 20 0 FGADHM CC(C)[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)CCO1 ZINC000330625626 498161782 /nfs/dbraw/zinc/16/17/82/498161782.db2.gz HTNHHKLYQJEPFC-OCCSQVGLSA-N -1 3 352.283 3.475 20 0 FGADHM C[C@H]1COCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000285667394 498165213 /nfs/dbraw/zinc/16/52/13/498165213.db2.gz PMQFMJATPMIUSD-KWQFWETISA-N -1 3 357.781 3.062 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H]3CCC[C@H]([S@@](=O)CC)C3)nc2)n1 ZINC000301582870 498174037 /nfs/dbraw/zinc/17/40/37/498174037.db2.gz VFMZIGMNRDKYRY-MOZQLWJVSA-N -1 3 374.510 3.298 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-][C@@H](c2nccs2)C(F)(F)F)cc1C ZINC000292893909 498187240 /nfs/dbraw/zinc/18/72/40/498187240.db2.gz VKKPVRPAGGGHGV-NSHDSACASA-N -1 3 350.387 3.342 20 0 FGADHM Cn1ccc([C@H]([N-]S(=O)(=O)c2cccs2)c2ccc(Cl)cc2)n1 ZINC000364881213 498189093 /nfs/dbraw/zinc/18/90/93/498189093.db2.gz XBXNYHCCSOZHBA-OAHLLOKOSA-N -1 3 367.883 3.203 20 0 FGADHM CC[C@@H](C)CO[N-]C(=O)Nc1ccc2nccnc2c1Br ZINC000296838678 498217547 /nfs/dbraw/zinc/21/75/47/498217547.db2.gz AGDRJZFBBNLSTD-SECBINFHSA-N -1 3 353.220 3.492 20 0 FGADHM COc1cc(S(=O)(=O)[N-]C[C@H]2CCCC[C@@H]2C(F)(F)F)ccc1F ZINC000330941421 498221859 /nfs/dbraw/zinc/22/18/59/498221859.db2.gz CIMJTBCLIXMBTF-PWSUYJOCSA-N -1 3 369.380 3.481 20 0 FGADHM Cc1nc([C@@H]2CCCOC2)sc1-c1nc(-c2ccc3n[n-]nc3c2)no1 ZINC000351462149 498223986 /nfs/dbraw/zinc/22/39/86/498223986.db2.gz NLEXPPYCDRJDOU-LLVKDONJSA-N -1 3 368.422 3.334 20 0 FGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCc1ccnc(C(F)(F)F)c1 ZINC000296875009 498232624 /nfs/dbraw/zinc/23/26/24/498232624.db2.gz JZXQHWRZXWIOCQ-UHFFFAOYSA-N -1 3 368.359 3.132 20 0 FGADHM Cc1ccc([O-])c(CN[C@@H]2CCCN([C@H](C)c3ccc(F)cc3)C2=O)n1 ZINC000293069838 498257136 /nfs/dbraw/zinc/25/71/36/498257136.db2.gz SUFGKNIMISKXIM-RHSMWYFYSA-N -1 3 357.429 3.077 20 0 FGADHM O=C(N[C@H](c1ccccc1)c1ccccn1)c1cc(=O)c2ccccc2[n-]1 ZINC000360305499 498263598 /nfs/dbraw/zinc/26/35/98/498263598.db2.gz JSOAFAQQLXKELL-OAQYLSRUSA-N -1 3 355.397 3.443 20 0 FGADHM COCCOc1ncccc1CNCc1cc([O-])cc(C(F)(F)F)c1 ZINC000289721279 498264173 /nfs/dbraw/zinc/26/41/73/498264173.db2.gz CYWUBAVDRFTNIS-UHFFFAOYSA-N -1 3 356.344 3.121 20 0 FGADHM CC(C)n1cc(S(=O)(=O)[N-]C[C@@H]2CCCC[C@H]2C(F)(F)F)cn1 ZINC000331177667 498268388 /nfs/dbraw/zinc/26/83/88/498268388.db2.gz QJZKMSBVKGBJLG-WCQYABFASA-N -1 3 353.410 3.111 20 0 FGADHM Cc1nc(-c2ccc(NCc3nccn3CC(C)C)nc2)[n-]c(=O)c1C ZINC000301798243 498269385 /nfs/dbraw/zinc/26/93/85/498269385.db2.gz ZLFQCWZKTJQOSX-UHFFFAOYSA-N -1 3 352.442 3.326 20 0 FGADHM CN(C(=O)/C=C/c1cncc([O-])c1)C1CCN(c2ccc(F)cc2)CC1 ZINC000360449953 498276155 /nfs/dbraw/zinc/27/61/55/498276155.db2.gz SDIJDVNZLGQWDJ-FARCUNLSSA-N -1 3 355.413 3.067 20 0 FGADHM COC(C)(C)CS(=O)(=O)[N-]c1ccc(Cl)c(Br)c1 ZINC000331250718 498284872 /nfs/dbraw/zinc/28/48/72/498284872.db2.gz ZVPMLMWSZYZWOJ-UHFFFAOYSA-N -1 3 356.669 3.269 20 0 FGADHM COCc1ncc(C(=O)[N-]c2scc(C3CC3)c2C(=O)OC)s1 ZINC000289787016 498293541 /nfs/dbraw/zinc/29/35/41/498293541.db2.gz PACGYBZOSZPRCB-UHFFFAOYSA-N -1 3 352.437 3.267 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2CC(=O)Nc3ccccc32)sc1Cl ZINC000365102594 498297610 /nfs/dbraw/zinc/29/76/10/498297610.db2.gz XVIWESCKFTZHAB-JTQLQIEISA-N -1 3 370.883 3.114 20 0 FGADHM CCC[C@@H](C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)c1ccccc1 ZINC000281875773 498300592 /nfs/dbraw/zinc/30/05/92/498300592.db2.gz ZUUXWEPCEJHHST-MRXNPFEDSA-N -1 3 370.415 3.487 20 0 FGADHM CC(C)(O)CON=C([O-])Nc1ccnn1Cc1ccc(C(C)(C)C)cc1 ZINC000286138212 498303198 /nfs/dbraw/zinc/30/31/98/498303198.db2.gz KMIMKTQWSOQBOV-UHFFFAOYSA-N -1 3 360.458 3.053 20 0 FGADHM CC(C)(O)CO[N-]C(=O)Nc1ccnn1Cc1ccc(C(C)(C)C)cc1 ZINC000286138212 498303206 /nfs/dbraw/zinc/30/32/06/498303206.db2.gz KMIMKTQWSOQBOV-UHFFFAOYSA-N -1 3 360.458 3.053 20 0 FGADHM CC(C)(CO)[C@@H]([N-]S(=O)(=O)Cc1ccccc1F)c1cccs1 ZINC000289831038 498312638 /nfs/dbraw/zinc/31/26/38/498312638.db2.gz LGIQLLHFGAVYJF-HNNXBMFYSA-N -1 3 357.472 3.066 20 0 FGADHM COc1ccc(NC([O-])=NOC/C=C/Cl)cc1N1CCCCC1=O ZINC000289833934 498314634 /nfs/dbraw/zinc/31/46/34/498314634.db2.gz MTOBQJGWAWEFIJ-XBXARRHUSA-N -1 3 353.806 3.018 20 0 FGADHM COc1ccc(NC(=O)[N-]OC/C=C/Cl)cc1N1CCCCC1=O ZINC000289833934 498314641 /nfs/dbraw/zinc/31/46/41/498314641.db2.gz MTOBQJGWAWEFIJ-XBXARRHUSA-N -1 3 353.806 3.018 20 0 FGADHM C[C@H](CON=C([O-])Nc1ccc(C2CCC2)cn1)NC(=O)OC(C)(C)C ZINC000297077740 498315639 /nfs/dbraw/zinc/31/56/39/498315639.db2.gz OUWKNRZMVYHELY-GFCCVEGCSA-N -1 3 364.446 3.315 20 0 FGADHM C[C@H](CO[N-]C(=O)Nc1ccc(C2CCC2)cn1)NC(=O)OC(C)(C)C ZINC000297077740 498315643 /nfs/dbraw/zinc/31/56/43/498315643.db2.gz OUWKNRZMVYHELY-GFCCVEGCSA-N -1 3 364.446 3.315 20 0 FGADHM O=C(N[C@@H]1CCO[C@@H](c2cccnc2)C1)c1cc2c(cc1[O-])CCCC2 ZINC000297126249 498325362 /nfs/dbraw/zinc/32/53/62/498325362.db2.gz TWCPBAACDQETIM-YLJYHZDGSA-N -1 3 352.434 3.316 20 0 FGADHM C[C@H]1CCCC[C@@H]1OCC(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000331473745 498341903 /nfs/dbraw/zinc/34/19/03/498341903.db2.gz IKYDXGXDBFTNOC-KXBFYZLASA-N -1 3 374.481 3.165 20 0 FGADHM Cc1c(-n2c([O-])c(CC(F)(F)F)[nH]c2=O)cnn1-c1cc(C)ccc1C ZINC000286267667 498344582 /nfs/dbraw/zinc/34/45/82/498344582.db2.gz ZVTMIMOUNAJHNV-LBPRGKRZSA-N -1 3 366.343 3.175 20 0 FGADHM C[C@H](NC(=O)NC1CCN(C(=O)c2cccc([O-])c2)CC1)c1ccccc1 ZINC000365206430 498351626 /nfs/dbraw/zinc/35/16/26/498351626.db2.gz KANIXEUGKABVPS-HNNXBMFYSA-N -1 3 367.449 3.057 20 0 FGADHM [O-]C(=NOC[C@H]1CCOC1)Nc1cc(F)c(Br)cc1Cl ZINC000282014921 498356854 /nfs/dbraw/zinc/35/68/54/498356854.db2.gz RSOTZCQBWDURHO-ZETCQYMHSA-N -1 3 367.602 3.331 20 0 FGADHM O=C([N-]OC[C@H]1CCOC1)Nc1cc(F)c(Br)cc1Cl ZINC000282014921 498356862 /nfs/dbraw/zinc/35/68/62/498356862.db2.gz RSOTZCQBWDURHO-ZETCQYMHSA-N -1 3 367.602 3.331 20 0 FGADHM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1cccc(C[S@@](C)=O)c1 ZINC000282034378 498365719 /nfs/dbraw/zinc/36/57/19/498365719.db2.gz RSXJEGJHQNXEKL-JOCHJYFZSA-N -1 3 355.456 3.122 20 0 FGADHM C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)CC(=O)N1CCC(C(=O)[O-])CC1 ZINC000569818589 506023990 /nfs/dbraw/zinc/02/39/90/506023990.db2.gz UYCJODCFSHPITD-KGLIPLIRSA-N -1 3 366.889 3.087 20 0 FGADHM O=S(=O)(CCCNCc1cccc([O-])c1Cl)Cc1ccccc1 ZINC000293451873 498389572 /nfs/dbraw/zinc/38/95/72/498389572.db2.gz CQLSMVODSFDPQP-UHFFFAOYSA-N -1 3 353.871 3.140 20 0 FGADHM CCc1sc(C(=O)[N-]c2nc(COC)ns2)cc1Br ZINC000293578637 498417380 /nfs/dbraw/zinc/41/73/80/498417380.db2.gz 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ZINC000578883574 506044265 /nfs/dbraw/zinc/04/42/65/506044265.db2.gz SIMQUXQMFSRFON-KBPBESRZSA-N -1 3 359.401 3.045 20 0 FGADHM CCOc1cc(CN2CCC(N3CCCCC3=O)CC2)cc(Cl)c1[O-] ZINC000297587240 498503793 /nfs/dbraw/zinc/50/37/93/498503793.db2.gz DXFXDAJWBKKSCS-UHFFFAOYSA-N -1 3 366.889 3.421 20 0 FGADHM CC[C@@H](CC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1)c1ccccc1 ZINC000290311020 498504512 /nfs/dbraw/zinc/50/45/12/498504512.db2.gz HFCAWKUFBUQIOK-GJZGRUSLSA-N -1 3 370.415 3.487 20 0 FGADHM CSc1ccc(C(=O)N2CCCN(c3ncccc3F)CC2)c([O-])c1 ZINC000365537817 498521033 /nfs/dbraw/zinc/52/10/33/498521033.db2.gz XDROOIZHCPPGQC-UHFFFAOYSA-N -1 3 361.442 3.001 20 0 FGADHM COc1cc(C(=O)N2CCC[C@@H](Oc3ccccc3OC)C2)ccc1[O-] ZINC000286834759 498524206 /nfs/dbraw/zinc/52/42/06/498524206.db2.gz YRCMDEKREFLDPD-OAHLLOKOSA-N -1 3 357.406 3.093 20 0 FGADHM C[C@@H]1CCC[C@@H](CC(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)C1 ZINC000332026794 498536750 /nfs/dbraw/zinc/53/67/50/498536750.db2.gz XMOFSXQLZMZGCY-HZPDHXFCSA-N -1 3 358.482 3.329 20 0 FGADHM C[C@@H]1CN(C(C)(C)CNC(=O)c2cc([O-])c3ccccc3c2)C[C@@H](C)O1 ZINC000332059739 498547598 /nfs/dbraw/zinc/54/75/98/498547598.db2.gz XECITWUHWYKBSW-HUUCEWRRSA-N -1 3 356.466 3.163 20 0 FGADHM C[C@@H](c1nccn1-c1ccccc1)[S@@](=O)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000569945665 506053924 /nfs/dbraw/zinc/05/39/24/506053924.db2.gz GGYFTCUSJLPXML-NRRJATNASA-N -1 3 368.462 3.255 20 0 FGADHM C[C@@H](CC[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F)N1CCCCC1 ZINC000569952401 506055150 /nfs/dbraw/zinc/05/51/50/506055150.db2.gz JSPBGOGFLCFYTL-NSHDSACASA-N -1 3 366.861 3.161 20 0 FGADHM C[C@@H](O[N-]C(=O)[C@@H]1CCC(=O)N(Cc2ccccc2)C1)c1ccccc1 ZINC000365632550 498568460 /nfs/dbraw/zinc/56/84/60/498568460.db2.gz DBIGTDWLHWQNGR-VQIMIIECSA-N -1 3 352.434 3.234 20 0 FGADHM O=C([N-]c1nnc(C2CCOCC2)s1)c1ccc(C(F)(F)F)cn1 ZINC000294036891 498568883 /nfs/dbraw/zinc/56/88/83/498568883.db2.gz GAVGDPOMUYBJRW-UHFFFAOYSA-N -1 3 358.345 3.098 20 0 FGADHM CC(C)(C)OC(=O)Cc1ccccc1NC(=O)c1cc(F)cc2[n-]nnc21 ZINC000282631365 498588342 /nfs/dbraw/zinc/58/83/42/498588342.db2.gz YRLMQJQWYIGWGM-UHFFFAOYSA-N -1 3 370.384 3.234 20 0 FGADHM CC(C)(C)OC(=O)Cc1ccccc1NC(=O)c1cc(F)cc2nn[n-]c21 ZINC000282631365 498588348 /nfs/dbraw/zinc/58/83/48/498588348.db2.gz YRLMQJQWYIGWGM-UHFFFAOYSA-N -1 3 370.384 3.234 20 0 FGADHM CC(C)(C)OC(=O)Cc1ccccc1NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000282631365 498588354 /nfs/dbraw/zinc/58/83/54/498588354.db2.gz YRLMQJQWYIGWGM-UHFFFAOYSA-N -1 3 370.384 3.234 20 0 FGADHM Cn1ccnc1[C@H](O)C1CCN(Cc2cc([O-])cc(C(F)(F)F)c2)CC1 ZINC000290549816 498592532 /nfs/dbraw/zinc/59/25/32/498592532.db2.gz WRHDJUZXMLHNAG-MRXNPFEDSA-N -1 3 369.387 3.090 20 0 FGADHM O=C(c1cc([O-])ccc1Cl)N1CCC(O)(c2c(F)cccc2F)CC1 ZINC000290603642 498615329 /nfs/dbraw/zinc/61/53/29/498615329.db2.gz AWVDJGMCAIQFBJ-UHFFFAOYSA-N -1 3 367.779 3.448 20 0 FGADHM O=C(Nc1ccccc1[O-])C1CCN(C(=O)[C@@H]2CC23CCSCC3)CC1 ZINC000581766312 506063504 /nfs/dbraw/zinc/06/35/04/506063504.db2.gz IKWWIVLZVMNJFD-HNNXBMFYSA-N -1 3 374.506 3.103 20 0 FGADHM C[C@H](c1ccc(Br)cc1)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000332299094 498640430 /nfs/dbraw/zinc/64/04/30/498640430.db2.gz KKSVDPNMADJDHR-ZYHUDNBSSA-N -1 3 352.232 3.478 20 0 FGADHM CCC[C@@H](NC(=O)c1cccc(C)c1[O-])C(=O)N1CCc2sccc2C1 ZINC000303116026 498648866 /nfs/dbraw/zinc/64/88/66/498648866.db2.gz DFDNNXJXYXNVLN-MRXNPFEDSA-N -1 3 372.490 3.246 20 0 FGADHM CCOC(=O)c1ncc([N-]C(=O)c2ncsc2C(F)(F)F)s1 ZINC000282859445 498682482 /nfs/dbraw/zinc/68/24/82/498682482.db2.gz OUMNOKRXDHNJRR-UHFFFAOYSA-N -1 3 351.331 3.047 20 0 FGADHM COc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2c3ccccc3O[C@H]2C)c1 ZINC000579034226 506078619 /nfs/dbraw/zinc/07/86/19/506078619.db2.gz YKHMLCRWWHZOCB-QFYYESIMSA-N -1 3 353.827 3.149 20 0 FGADHM CCCOc1cn(-c2ccccc2)nc1C(=O)[N-]c1ncnn1C(C)(C)C ZINC000282952084 498723387 /nfs/dbraw/zinc/72/33/87/498723387.db2.gz HEWOIEBEELRYJS-UHFFFAOYSA-N -1 3 368.441 3.260 20 0 FGADHM CSC[C@@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000304327841 498733422 /nfs/dbraw/zinc/73/34/22/498733422.db2.gz 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ZINC000363322328 498760360 /nfs/dbraw/zinc/76/03/60/498760360.db2.gz DEQKCDDBAUPWIG-AWEZNQCLSA-N -1 3 370.412 3.476 20 0 FGADHM CN(C)CC1(C(=O)N=c2nc(Cc3ccccc3)[n-]s2)CCCCC1 ZINC000581920499 506089673 /nfs/dbraw/zinc/08/96/73/506089673.db2.gz SWYOCIZQBMGGRM-UHFFFAOYSA-N -1 3 358.511 3.001 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-]Cc1ccc(-c2ccncc2)cc1 ZINC000366165028 498804705 /nfs/dbraw/zinc/80/47/05/498804705.db2.gz RFEWNORCWARWIE-UHFFFAOYSA-N -1 3 360.460 3.297 20 0 FGADHM COc1ccc(-c2nc(CN[C@H](C)[C@H](C)C(=O)[O-])cs2)cc1OC ZINC000576166593 506092701 /nfs/dbraw/zinc/09/27/01/506092701.db2.gz VCICLZZOVLBDER-WDEREUQCSA-N -1 3 350.440 3.026 20 0 FGADHM O=C(CCc1ccc2ccccc2c1[O-])N1CCS[C@@H]2COCC[C@H]21 ZINC000294813294 498813281 /nfs/dbraw/zinc/81/32/81/498813281.db2.gz CDDFSJZMHGJJNI-QZTJIDSGSA-N -1 3 357.475 3.211 20 0 FGADHM CS(=O)(=O)[N-]c1cc(C(=O)N2CCC3(C2)CCCCCC3)ccc1F ZINC000363423335 498815115 /nfs/dbraw/zinc/81/51/15/498815115.db2.gz UDCJSECTTOFGPD-UHFFFAOYSA-N -1 3 368.474 3.384 20 0 FGADHM CO[C@@H](Cc1ccccc1)CS(=O)(=O)[N-]c1cc2[nH]ccc2cc1C ZINC000572987592 506094397 /nfs/dbraw/zinc/09/43/97/506094397.db2.gz NKAKBQXYKUDFLS-KRWDZBQOSA-N -1 3 358.463 3.476 20 0 FGADHM CC(=O)Nc1ccc(Cl)c(C(=O)N=c2[nH][n-]c(C)c2-c2ccncc2)c1 ZINC000366221610 498828781 /nfs/dbraw/zinc/82/87/81/498828781.db2.gz FZPWSPWXJOGKRJ-UHFFFAOYSA-N -1 3 369.812 3.066 20 0 FGADHM O=C(CCc1ccc2ccccc2c1[O-])NCCCOC[C@@H]1CCCO1 ZINC000294885549 498837757 /nfs/dbraw/zinc/83/77/57/498837757.db2.gz FBDIFKDLTZZQRG-SFHVURJKSA-N -1 3 357.450 3.180 20 0 FGADHM COc1ccc(CNc2cn(C)nc2C2CC2)c(Br)c1[O-] ZINC000291235012 498856170 /nfs/dbraw/zinc/85/61/70/498856170.db2.gz KRNGFMHKJIZNEA-UHFFFAOYSA-N -1 3 352.232 3.386 20 0 FGADHM CCCOc1ccc(OCCN2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)cc1 ZINC000327386821 498856635 /nfs/dbraw/zinc/85/66/35/498856635.db2.gz XBYLRMUJSKGULH-MRXNPFEDSA-N -1 3 361.360 3.193 20 0 FGADHM CC1(C)[C@H](Oc2ccccc2)C[C@@H]1NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000579141176 506102962 /nfs/dbraw/zinc/10/29/62/506102962.db2.gz FFYGPNHTACKOOJ-JKSUJKDBSA-N -1 3 353.422 3.036 20 0 FGADHM O=C(c1cc([O-])c2ccccc2c1)N1CCC(c2nnc3n2CCC3)CC1 ZINC000366298810 498864670 /nfs/dbraw/zinc/86/46/70/498864670.db2.gz ANAVOTXLVPJPQN-UHFFFAOYSA-N -1 3 362.433 3.103 20 0 FGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@@H]3CC34CCOCC4)s2)cs1 ZINC000333023586 498872623 /nfs/dbraw/zinc/87/26/23/498872623.db2.gz ABZGTGUMWWXBMI-CYBMUJFWSA-N -1 3 370.521 3.027 20 0 FGADHM COC(=O)c1sc2[n-]c(CN(C)CCc3ccccc3)nc(=O)c2c1C ZINC000298782596 498878301 /nfs/dbraw/zinc/87/83/01/498878301.db2.gz ULNSHSHVYUXZJP-UHFFFAOYSA-N -1 3 371.462 3.166 20 0 FGADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCC(F)(F)[C@@H](CO)C1 ZINC000291300075 498883912 /nfs/dbraw/zinc/88/39/12/498883912.db2.gz QVBGMTFXJWWMEX-CYBMUJFWSA-N -1 3 363.360 3.274 20 0 FGADHM CC(=O)N1CCN(C(=O)c2cc3c(cc2[O-])CCCC3)CC12CCCCC2 ZINC000333083587 498894595 /nfs/dbraw/zinc/89/45/95/498894595.db2.gz RBHPCDJJLNLMJD-UHFFFAOYSA-N -1 3 370.493 3.278 20 0 FGADHM Cn1cc([C@@H]2CN(Cc3cccc([O-])c3Cl)CC23CCOCC3)cn1 ZINC000295072845 498899300 /nfs/dbraw/zinc/89/93/00/498899300.db2.gz RDZHJBSTNJYZPO-INIZCTEOSA-N -1 3 361.873 3.175 20 0 FGADHM CCN(CCC(=O)[O-])Cc1cc(Br)ccc1OC(F)F ZINC000576234079 506109457 /nfs/dbraw/zinc/10/94/57/506109457.db2.gz UHXXKLKFOSAADY-UHFFFAOYSA-N -1 3 352.175 3.347 20 0 FGADHM CCOCCO[C@H]1CCN(C(=O)CCc2ccc3ccccc3c2[O-])C1 ZINC000295152762 498927184 /nfs/dbraw/zinc/92/71/84/498927184.db2.gz CHJBALUUJPUCIC-SFHVURJKSA-N -1 3 357.450 3.132 20 0 FGADHM CC(C)(C)OC(=O)CN(Cc1cc([O-])ccc1Cl)C1CCOCC1 ZINC000599436233 506455534 /nfs/dbraw/zinc/45/55/34/506455534.db2.gz GFPUQFGHNSNONT-UHFFFAOYSA-N -1 3 355.862 3.368 20 0 FGADHM C[C@@H]1CCCc2nc(S(=O)(=O)[N-]C[C@H]3CCCCC(F)(F)C3)cn21 ZINC000333249597 498953260 /nfs/dbraw/zinc/95/32/60/498953260.db2.gz CGAZZHAAUFUROG-OLZOCXBDSA-N -1 3 361.458 3.274 20 0 FGADHM Cc1noc(C)c1CCN(CC(=O)[O-])Cc1cccc(Br)c1 ZINC000570220524 506118090 /nfs/dbraw/zinc/11/80/90/506118090.db2.gz UJWOXEOVBRBMBK-UHFFFAOYSA-N -1 3 367.243 3.183 20 0 FGADHM COC1CCN(C2(CN=c3nc(C4CCCC4)[n-]s3)CCCC2)CC1 ZINC000573103591 506119863 /nfs/dbraw/zinc/11/98/63/506119863.db2.gz VXUFXVLDEMDBST-UHFFFAOYSA-N -1 3 364.559 3.453 20 0 FGADHM CC1(C)Cc2ccc(C(=O)N3CCOC[C@@H]3c3ccccc3)c([O-])c2O1 ZINC000333291395 498968159 /nfs/dbraw/zinc/96/81/59/498968159.db2.gz RMGUYLQNJPUQDT-QGZVFWFLSA-N -1 3 353.418 3.319 20 0 FGADHM CCC1([N-]S(=O)(=O)c2ccc(-c3csc(C)n3)s2)CCOCC1 ZINC000328879750 498971422 /nfs/dbraw/zinc/97/14/22/498971422.db2.gz LOUBOMRWABZCQJ-UHFFFAOYSA-N -1 3 372.537 3.418 20 0 FGADHM O=C([O-])[C@H]1CCO[C@H]1C1CCN(Cc2cc(F)cc3cccnc32)CC1 ZINC000576286133 506122004 /nfs/dbraw/zinc/12/20/04/506122004.db2.gz KCTYOSJNSRKDQJ-HKUYNNGSSA-N -1 3 358.413 3.076 20 0 FGADHM O=C([N-]c1nc2c(s1)C(=O)CCC2)c1ncsc1Br ZINC000288273008 498981610 /nfs/dbraw/zinc/98/16/10/498981610.db2.gz BFRPXXZQSXVXHM-UHFFFAOYSA-N -1 3 358.242 3.133 20 0 FGADHM Cc1cc(=O)n(C)cc1[N-]S(=O)(=O)c1cc(C(C)C)ccc1Cl ZINC000283815192 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FGADHM CCSc1ccc([C@H](C)NC(=O)N=c2cc(OC(F)F)n(C)[n-]2)cc1 ZINC000429648112 500117870 /nfs/dbraw/zinc/11/78/70/500117870.db2.gz HEMVGWOBBUMGDE-JTQLQIEISA-N -1 3 370.425 3.438 20 0 FGADHM CCCOc1ccc([C@H](C)NC(=O)N=c2cc(OC(F)F)n(C)[n-]2)cc1 ZINC000429652547 500118472 /nfs/dbraw/zinc/11/84/72/500118472.db2.gz LAAYJXJCLVDBLC-NSHDSACASA-N -1 3 368.384 3.115 20 0 FGADHM CCN=c1[n-]c(C(=O)N(C)[C@H](COC)c2ccc(Cl)cc2)cs1 ZINC000429650235 500118727 /nfs/dbraw/zinc/11/87/27/500118727.db2.gz GLWBCQSICIHDNK-CQSZACIVSA-N -1 3 353.875 3.110 20 0 FGADHM COc1cc(CN[C@H]2C=C[C@@H](C(=O)[O-])C2)ccc1OCc1cccs1 ZINC000417622422 500127684 /nfs/dbraw/zinc/12/76/84/500127684.db2.gz OEDJHUAEBOCEOA-CABCVRRESA-N -1 3 359.447 3.455 20 0 FGADHM O=C([O-])C[C@@H](CNCc1ccc(F)c(Br)c1)C(F)(F)F ZINC000417634327 500131962 /nfs/dbraw/zinc/13/19/62/500131962.db2.gz VLFUCZDDNNIFGV-QMMMGPOBSA-N -1 3 358.129 3.331 20 0 FGADHM O=C([O-])[C@H](CNCc1ccc(OCC(F)(F)F)cc1)Oc1ccccc1 ZINC000417639384 500133332 /nfs/dbraw/zinc/13/33/32/500133332.db2.gz MDUUFDILLBKUPV-INIZCTEOSA-N -1 3 369.339 3.250 20 0 FGADHM COc1cc(Cl)c(CNCCc2cccc(C(=O)[O-])n2)cc1Cl ZINC000417640379 500134325 /nfs/dbraw/zinc/13/43/25/500134325.db2.gz XSXAUOCEJXGWDU-UHFFFAOYSA-N -1 3 355.221 3.428 20 0 FGADHM COc1cccc(C[C@@H](CNCc2ccc(OC)cc2Cl)C(=O)[O-])c1 ZINC000417649061 500137249 /nfs/dbraw/zinc/13/72/49/500137249.db2.gz KWELMJQNBZSYAT-HNNXBMFYSA-N -1 3 363.841 3.390 20 0 FGADHM CC(C)(C)OC(=O)C[C@H](NCc1cccc(-c2cccnc2)c1)C(=O)[O-] ZINC000417662818 500141439 /nfs/dbraw/zinc/14/14/39/500141439.db2.gz MIFGYIJGEVVOJF-KRWDZBQOSA-N -1 3 356.422 3.023 20 0 FGADHM CC(C)(C)OC(=O)C[C@H](NCc1ccc(-c2ccncc2)cc1F)C(=O)[O-] ZINC000417672065 500145312 /nfs/dbraw/zinc/14/53/12/500145312.db2.gz YZCSEEQSXWWUIP-KRWDZBQOSA-N -1 3 374.412 3.162 20 0 FGADHM O=S(=O)([N-]Cc1cscn1)c1cc(Cl)ccc1Br ZINC000429864208 500158808 /nfs/dbraw/zinc/15/88/08/500158808.db2.gz VMNYPIORNNAVTJ-UHFFFAOYSA-N -1 3 367.677 3.038 20 0 FGADHM COCCC1(C[N-]S(=O)(=O)c2ccc(Cl)cc2Cl)CCC1 ZINC000429872550 500160349 /nfs/dbraw/zinc/16/03/49/500160349.db2.gz OYQHKZRBCWRCBZ-UHFFFAOYSA-N -1 3 352.283 3.479 20 0 FGADHM CC(C)c1nc([C@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2Cl)n[nH]1 ZINC000429871593 500160427 /nfs/dbraw/zinc/16/04/27/500160427.db2.gz VWEPRAKFSBANHJ-QMMMGPOBSA-N -1 3 363.270 3.274 20 0 FGADHM Cc1ccc(Br)c(S(=O)(=O)[N-]C[C@H]2CCC(F)(F)C2)c1 ZINC000429877740 500161010 /nfs/dbraw/zinc/16/10/10/500161010.db2.gz CSNZEDILVOCSKB-JTQLQIEISA-N -1 3 368.243 3.471 20 0 FGADHM C[C@H]1C[C@@H](CC[N-]S(=O)(=O)c2ccc(Cl)cc2Cl)CCO1 ZINC000429883432 500161592 /nfs/dbraw/zinc/16/15/92/500161592.db2.gz HYVPWVSFVLHXLG-QWRGUYRKSA-N -1 3 352.283 3.477 20 0 FGADHM O=S(=O)([N-][C@H](CO)c1ccsc1)c1ccc(Cl)cc1Cl ZINC000429885713 500162154 /nfs/dbraw/zinc/16/21/54/500162154.db2.gz AKRPQVCCNDXGCV-LLVKDONJSA-N -1 3 352.264 3.067 20 0 FGADHM O=C(Cc1ccc(Br)cc1[O-])NC[C@@H]1CC12CCSCC2 ZINC000421922299 500177073 /nfs/dbraw/zinc/17/70/73/500177073.db2.gz UAUNVFCTFHKIKS-LBPRGKRZSA-N -1 3 370.312 3.347 20 0 FGADHM Cc1cccc(NCc2cc(=O)[n-]c(C3CC3)n2)c1C(=O)N1CCCC1 ZINC000417010577 500183647 /nfs/dbraw/zinc/18/36/47/500183647.db2.gz PSDZEUIWYQPTDJ-UHFFFAOYSA-N -1 3 352.438 3.216 20 0 FGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)c1ccccc1Cl ZINC000430099326 500192672 /nfs/dbraw/zinc/19/26/72/500192672.db2.gz DZSXXRCLKBBBLC-UHFFFAOYSA-N -1 3 350.603 3.424 20 0 FGADHM COC(=O)c1ccsc1[N-]C(=O)C(=O)N1CCCC[C@@H]1c1ccccc1 ZINC000430205537 500208763 /nfs/dbraw/zinc/20/87/63/500208763.db2.gz UHAZYISUGILRPY-OAHLLOKOSA-N -1 3 372.446 3.227 20 0 FGADHM CC[C@H](C)Oc1cccc([N-]S(=O)(=O)CC2(C(=O)OC)CCCC2)c1 ZINC000573376878 506183302 /nfs/dbraw/zinc/18/33/02/506183302.db2.gz NJKQVXIHNAMWDG-AWEZNQCLSA-N -1 3 369.483 3.339 20 0 FGADHM CCCCn1ncc(C(=O)Nc2n[n-]c(-c3ccccc3F)n2)c1CC ZINC000430557790 500254437 /nfs/dbraw/zinc/25/44/37/500254437.db2.gz XDTHRICUKPLCIB-UHFFFAOYSA-N -1 3 356.405 3.422 20 0 FGADHM CN(C(=O)c1c[n-]c2ccc(Oc3ccccc3)cc2c1=O)[C@@H]1CCOC1 ZINC000430592500 500259915 /nfs/dbraw/zinc/25/99/15/500259915.db2.gz MWYLMKKTWDJCSB-CQSZACIVSA-N -1 3 364.401 3.181 20 0 FGADHM C[C@H](CCO)CNC(=O)c1c[n-]c2ccc(Oc3ccccc3)cc2c1=O ZINC000430594211 500259988 /nfs/dbraw/zinc/25/99/88/500259988.db2.gz KANFKXYTGILQFL-CQSZACIVSA-N -1 3 366.417 3.069 20 0 FGADHM COC(=O)c1ccc(-c2nc(Cc3ccc(Br)s3)no2)[n-]1 ZINC000426406843 500270353 /nfs/dbraw/zinc/27/03/53/500270353.db2.gz WXFUFUDIZIMGJF-UHFFFAOYSA-N -1 3 368.212 3.266 20 0 FGADHM CC(C)Oc1ccccc1CNC1CCN(c2cc(C(=O)[O-])ccn2)CC1 ZINC000426637673 500298440 /nfs/dbraw/zinc/29/84/40/500298440.db2.gz FYVXHGOBRINONM-UHFFFAOYSA-N -1 3 369.465 3.326 20 0 FGADHM CC(C)(C)CCCS(=O)(=O)[N-]Cc1nc(-c2cccc(F)c2)no1 ZINC000582328686 506187924 /nfs/dbraw/zinc/18/79/24/506187924.db2.gz KDLODAMRQNVAII-UHFFFAOYSA-N -1 3 355.435 3.121 20 0 FGADHM COc1cc(Cl)c(CN[C@H](Cc2ccc(O)cc2)C(=O)[O-])cc1Cl ZINC000426655804 500302038 /nfs/dbraw/zinc/30/20/38/500302038.db2.gz USVTYOMEOBWMIZ-OAHLLOKOSA-N -1 3 370.232 3.493 20 0 FGADHM O=C([O-])[C@@H](Cc1ccc(O)cc1)NCc1cc(C(F)(F)F)ccc1F ZINC000426662866 500303440 /nfs/dbraw/zinc/30/34/40/500303440.db2.gz HQHSPWCVVLZCPO-OAHLLOKOSA-N -1 3 357.303 3.336 20 0 FGADHM Cc1cccc(C[C@@H](CNCc2cccc3c2OCCCO3)C(=O)[O-])c1 ZINC000426666490 500303873 /nfs/dbraw/zinc/30/38/73/500303873.db2.gz RXHKZXUZYICQLL-SFHVURJKSA-N -1 3 355.434 3.189 20 0 FGADHM Cc1nc(COc2ccc(CN[C@H](C(=O)[O-])c3ccc(C)cc3)cc2)no1 ZINC000426677201 500305261 /nfs/dbraw/zinc/30/52/61/500305261.db2.gz KFQQQDWLVLIKNM-IBGZPJMESA-N -1 3 367.405 3.181 20 0 FGADHM O=C([O-])[C@H](Cc1cccc(Cl)c1)NCc1cnn(-c2ccccc2)c1 ZINC000426718019 500310506 /nfs/dbraw/zinc/31/05/06/500310506.db2.gz UOYJHHBVOZBPSC-SFHVURJKSA-N -1 3 355.825 3.311 20 0 FGADHM CN(C)[C@H](CN=c1[n-]c(C(F)(F)F)c(Br)s1)C1CC1 ZINC000418853581 500326828 /nfs/dbraw/zinc/32/68/28/500326828.db2.gz JUXROIUSUIQEJV-SSDOTTSWSA-N -1 3 358.227 3.098 20 0 FGADHM Cc1ncccc1CN[C@H](CSCc1cccc2cccnc21)C(=O)[O-] ZINC000426725436 500311603 /nfs/dbraw/zinc/31/16/03/500311603.db2.gz 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ZINC000570533919 506190088 /nfs/dbraw/zinc/19/00/88/506190088.db2.gz BUFFEHDTZPWOMS-ROUUACIJSA-N -1 3 364.467 3.101 20 0 FGADHM COC(=O)C1(CS(=O)(=O)[N-]c2ccc3[nH]c(C)cc3c2)CCCCC1 ZINC000427112343 500354726 /nfs/dbraw/zinc/35/47/26/500354726.db2.gz BQFZFDDJDOBYRH-UHFFFAOYSA-N -1 3 364.467 3.342 20 0 FGADHM O=C(CNC(=O)c1cccc([O-])c1)N1CC=C(c2ccc(Cl)cc2)CC1 ZINC000427133393 500357649 /nfs/dbraw/zinc/35/76/49/500357649.db2.gz NXJSUMRQGXJABM-UHFFFAOYSA-N -1 3 370.836 3.091 20 0 FGADHM Cc1ccc([C@H]2CCC[C@H]2N(C)C(=O)CNC(=O)c2cccc([O-])c2)cc1 ZINC000427255037 500374045 /nfs/dbraw/zinc/37/40/45/500374045.db2.gz DDPCFJJHBIVNQI-WOJBJXKFSA-N -1 3 366.461 3.225 20 0 FGADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(cc(C)c(=O)n3C)c2)cc1 ZINC000427318555 500380971 /nfs/dbraw/zinc/38/09/71/500380971.db2.gz DRNRXAPRZHZVIC-UHFFFAOYSA-N -1 3 372.446 3.046 20 0 FGADHM O=C(CCSCc1cc(=O)[n-]c(C2CC2)n1)Nc1ccc2c(c1)OCO2 ZINC000419593904 500382675 /nfs/dbraw/zinc/38/26/75/500382675.db2.gz YJGSANBFETYLBQ-UHFFFAOYSA-N -1 3 373.434 3.050 20 0 FGADHM CC(C)[C@@H](NC(=O)CNC(=O)c1cccc([O-])c1)c1ccccc1Cl ZINC000427455300 500395284 /nfs/dbraw/zinc/39/52/84/500395284.db2.gz IRCQAXFEXFPFID-GOSISDBHSA-N -1 3 360.841 3.289 20 0 FGADHM CCOc1c(Cl)cccc1CNc1ccc(F)c(S(=O)(=O)[N-]C)c1 ZINC000419779781 500396701 /nfs/dbraw/zinc/39/67/01/500396701.db2.gz NKULJPGUEYOBLG-UHFFFAOYSA-N -1 3 372.849 3.398 20 0 FGADHM CN(C(=O)C(=O)[N-]c1nccn1-c1ccccc1)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000419792910 500399832 /nfs/dbraw/zinc/39/98/32/500399832.db2.gz ZTUQBAASYMJLBL-IAGOWNOFSA-N -1 3 368.481 3.484 20 0 FGADHM CCOc1nc2cc(C(=O)N(C)CCOc3ccc(C)cc3)ccc2[n-]1 ZINC000431630465 500401215 /nfs/dbraw/zinc/40/12/15/500401215.db2.gz KOMUXGFBRBLIGN-UHFFFAOYSA-N -1 3 353.422 3.421 20 0 FGADHM CCOc1nc2ccc(C(=O)N(C)CCOc3ccc(C)cc3)cc2[n-]1 ZINC000431630465 500401217 /nfs/dbraw/zinc/40/12/17/500401217.db2.gz KOMUXGFBRBLIGN-UHFFFAOYSA-N -1 3 353.422 3.421 20 0 FGADHM COC(=O)c1cc(C(=O)Nc2cccc(NC(=O)c3ccccc3)c2)c[n-]1 ZINC000431833974 500430973 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CC1CCN(c2ccc(CNC(=O)Cc3ccc([O-])c(F)c3)cn2)CC1 ZINC000448721633 500814315 /nfs/dbraw/zinc/81/43/15/500814315.db2.gz YOEHHAAYVNTGJX-UHFFFAOYSA-N -1 3 357.429 3.022 20 0 FGADHM C[C@H]1N(C(=O)c2ccc(C(=O)c3cccc([O-])c3)cc2)CCOC1(C)C ZINC000444241392 500822457 /nfs/dbraw/zinc/82/24/57/500822457.db2.gz SWRPDGURYYSGRT-CQSZACIVSA-N -1 3 353.418 3.263 20 0 FGADHM CO[C@@H]1C[C@@H](NC(=O)c2ccc(C(=O)c3cccc([O-])c3)cc2)C1(C)C ZINC000444244323 500823362 /nfs/dbraw/zinc/82/33/62/500823362.db2.gz MLKJKMRBESXIGV-QZTJIDSGSA-N -1 3 353.418 3.167 20 0 FGADHM CC[C@]1(C)COCCN1C(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000444293976 500830818 /nfs/dbraw/zinc/83/08/18/500830818.db2.gz PMQXMFOCQLPNSI-OAQYLSRUSA-N -1 3 353.418 3.264 20 0 FGADHM CC(=O)Nc1ccccc1CC(=O)Nc1cc(Br)ccc1[O-] ZINC000444332492 500835350 /nfs/dbraw/zinc/83/53/50/500835350.db2.gz ZVUNRHWPDITBQL-UHFFFAOYSA-N -1 3 363.211 3.294 20 0 FGADHM Cc1cc2cc[nH]c2cc1NC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000444445650 500848091 /nfs/dbraw/zinc/84/80/91/500848091.db2.gz HYYIZJKAQYPRLG-UHFFFAOYSA-N -1 3 361.398 3.239 20 0 FGADHM CC(C)Oc1ccc(NC(=O)CNC(=O)c2cccc([O-])c2)c(Cl)c1 ZINC000444516537 500855119 /nfs/dbraw/zinc/85/51/19/500855119.db2.gz BHEGKOBPCARXOP-UHFFFAOYSA-N -1 3 362.813 3.201 20 0 FGADHM Cn1cccc1C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000439220788 500871350 /nfs/dbraw/zinc/87/13/50/500871350.db2.gz AOCKWCLBIOERBZ-UHFFFAOYSA-N -1 3 353.658 3.464 20 0 FGADHM COc1ccc(CC(=O)Nc2nnc(-c3c(F)cccc3F)[n-]2)c(F)c1 ZINC000444680591 500878120 /nfs/dbraw/zinc/87/81/20/500878120.db2.gz QDAKPVIZFSSQLG-UHFFFAOYSA-N -1 3 362.311 3.079 20 0 FGADHM COc1ccc(CC(=O)Nc2nc(-c3c(F)cccc3F)n[n-]2)c(F)c1 ZINC000444680591 500878121 /nfs/dbraw/zinc/87/81/21/500878121.db2.gz QDAKPVIZFSSQLG-UHFFFAOYSA-N -1 3 362.311 3.079 20 0 FGADHM COc1ccc(CC(=O)Nc2n[n-]c(-c3c(F)cccc3F)n2)c(F)c1 ZINC000444680591 500878123 /nfs/dbraw/zinc/87/81/23/500878123.db2.gz QDAKPVIZFSSQLG-UHFFFAOYSA-N -1 3 362.311 3.079 20 0 FGADHM CCC[C@@H]1CCC[C@H]1C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000448980629 500886094 /nfs/dbraw/zinc/88/60/94/500886094.db2.gz BRSHPDNHFWEBLP-NVXWUHKLSA-N -1 3 358.482 3.329 20 0 FGADHM CCOC(=O)c1nc(C2CCN(Cc3ccc(F)cc3Cl)CC2)n[n-]1 ZINC000444796788 500903219 /nfs/dbraw/zinc/90/32/19/500903219.db2.gz BSPGZXIQNDQBFV-UHFFFAOYSA-N -1 3 366.824 3.154 20 0 FGADHM CCOC(=O)c1nnc(C2CCN(Cc3ccc(F)cc3Cl)CC2)[n-]1 ZINC000444796788 500903220 /nfs/dbraw/zinc/90/32/20/500903220.db2.gz BSPGZXIQNDQBFV-UHFFFAOYSA-N -1 3 366.824 3.154 20 0 FGADHM Cc1ccc2c(c1C)OC[C@H]2[N-]S(=O)(=O)c1cnc2ccccc2c1 ZINC000445036753 500935500 /nfs/dbraw/zinc/93/55/00/500935500.db2.gz DCWFTZJAVJKRLX-GOSISDBHSA-N -1 3 354.431 3.264 20 0 FGADHM C[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(F)ccc2Br)C1 ZINC000435207906 500944265 /nfs/dbraw/zinc/94/42/65/500944265.db2.gz OLHULCZMDOTOMY-GXSJLCMTSA-N -1 3 350.253 3.445 20 0 FGADHM C[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(F)ccc2Br)C1 ZINC000435207908 500944283 /nfs/dbraw/zinc/94/42/83/500944283.db2.gz OLHULCZMDOTOMY-MWLCHTKSSA-N -1 3 350.253 3.445 20 0 FGADHM CC[C@@]1(CO)CCCN1C(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000440026632 500967498 /nfs/dbraw/zinc/96/74/98/500967498.db2.gz JFARJJXCIKRBNG-NRFANRHFSA-N -1 3 353.418 3.000 20 0 FGADHM Cc1ccc(-c2nc(C(=O)[N-]c3nc(C)nn3-c3ccccc3)cs2)o1 ZINC000440132779 500979356 /nfs/dbraw/zinc/97/93/56/500979356.db2.gz JWDJMUBXMIIGGZ-UHFFFAOYSA-N -1 3 365.418 3.275 20 0 FGADHM Cc1cc(=O)n(C)cc1[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000440279821 500993698 /nfs/dbraw/zinc/99/36/98/500993698.db2.gz UCCCMVPZSMYJEM-UHFFFAOYSA-N -1 3 362.838 3.301 20 0 FGADHM Cc1cccc(F)c1S(=O)(=O)[N-][C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000435588252 500996777 /nfs/dbraw/zinc/99/67/77/500996777.db2.gz JMVHIASNIFQQBD-IINYFYTJSA-N -1 3 359.344 3.386 20 0 FGADHM CCSc1cccc(NC(=O)C(=O)[N-]c2sccc2C(=O)OC)c1 ZINC000440351673 500999607 /nfs/dbraw/zinc/99/96/07/500999607.db2.gz BDSZTXRICIJVKK-UHFFFAOYSA-N -1 3 364.448 3.224 20 0 FGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@H]2C[C@@H](OC)C2(C)C)cc1Cl ZINC000440380017 501001599 /nfs/dbraw/zinc/00/15/99/501001599.db2.gz JAOZFCLPQIQUNC-QWHCGFSZSA-N -1 3 368.282 3.094 20 0 FGADHM COc1ccc(S(=O)(=O)[N-][C@H]2C[C@@H](OC)C2(C)C)c(Cl)c1Cl ZINC000440402761 501005688 /nfs/dbraw/zinc/00/56/88/501005688.db2.gz YOXWVLAOYIHULZ-WDEREUQCSA-N -1 3 368.282 3.094 20 0 FGADHM COc1cccc(O[C@H](C)C[N-]S(=O)(=O)c2cc(C)c(F)cc2F)c1 ZINC000440404513 501005733 /nfs/dbraw/zinc/00/57/33/501005733.db2.gz ULXMJYGLBXAERE-GFCCVEGCSA-N -1 3 371.405 3.028 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)c2cc(C)cc(C)c2)c1-c1ccc2c(c1)OCCO2 ZINC000435714808 501016197 /nfs/dbraw/zinc/01/61/97/501016197.db2.gz TVTQPBQFEKAZKL-UHFFFAOYSA-N -1 3 363.417 3.447 20 0 FGADHM CCn1ccnc1[C@H](C)NCc1ccc(OC)c([O-])c1Br ZINC000449562197 501033759 /nfs/dbraw/zinc/03/37/59/501033759.db2.gz HUIYMPUHDFDRKG-JTQLQIEISA-N -1 3 354.248 3.231 20 0 FGADHM CC(C)(C)c1csc(CN2CCN(C(=O)c3ccccc3[O-])CC2)n1 ZINC000440755411 501046037 /nfs/dbraw/zinc/04/60/37/501046037.db2.gz KNBQVMSIAGKVMX-UHFFFAOYSA-N -1 3 359.495 3.104 20 0 FGADHM O=c1[nH]c(CC(F)(F)F)c([O-])n1-c1cccc(OCc2cccnc2)c1 ZINC000445913636 501051365 /nfs/dbraw/zinc/05/13/65/501051365.db2.gz PGQQJNZQLTYAOF-CQSZACIVSA-N -1 3 365.311 3.038 20 0 FGADHM CCCn1c(=O)[n-]nc1SCc1noc(-c2ccc(F)cc2F)n1 ZINC000436052473 501063586 /nfs/dbraw/zinc/06/35/86/501063586.db2.gz PXPBYVQVNWJUEF-UHFFFAOYSA-N -1 3 353.354 3.014 20 0 FGADHM CCn1cc(C(=O)N=c2cc(-c3ccccc3C)[n-][nH]2)c(C(F)(F)F)n1 ZINC000436059444 501064361 /nfs/dbraw/zinc/06/43/61/501064361.db2.gz ODIGFZBOOLKSTG-UHFFFAOYSA-N -1 3 363.343 3.295 20 0 FGADHM CCCn1c(=O)[n-]nc1S[C@H](Cc1ccc(F)c(F)c1F)C(C)=O ZINC000436142389 501077192 /nfs/dbraw/zinc/07/71/92/501077192.db2.gz ZZNCIQZIXQYUIB-LLVKDONJSA-N -1 3 359.373 3.103 20 0 FGADHM C[C@@H]1CCCN1C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000436202099 501088888 /nfs/dbraw/zinc/08/88/88/501088888.db2.gz JVMMZCLFYGGVCN-CYBMUJFWSA-N -1 3 362.426 3.251 20 0 FGADHM CCOC(=O)c1c(C2CC2)csc1[N-]C(=O)C(=O)N(CC)C1CCC1 ZINC000441116656 501090184 /nfs/dbraw/zinc/09/01/84/501090184.db2.gz QGMNAKPLYMWMCB-UHFFFAOYSA-N -1 3 364.467 3.142 20 0 FGADHM O=C(NCC[C@H](O)C(F)(F)F)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436484843 501137172 /nfs/dbraw/zinc/13/71/72/501137172.db2.gz FSUVCDDWUBSIAY-INIZCTEOSA-N -1 3 353.340 3.026 20 0 FGADHM COc1ccc(C(=O)NCCCOc2cccc3cccnc32)c([O-])c1 ZINC000436523802 501147597 /nfs/dbraw/zinc/14/75/97/501147597.db2.gz WMWZJKSVXKXJCV-UHFFFAOYSA-N -1 3 352.390 3.148 20 0 FGADHM CN(C)CCN(Cc1cccc(Cl)c1)C(=O)c1cc(F)ccc1[O-] ZINC000436534337 501149728 /nfs/dbraw/zinc/14/97/28/501149728.db2.gz OQEWAHISNKXMRZ-UHFFFAOYSA-N -1 3 350.821 3.389 20 0 FGADHM CCOC(=O)c1cc(C(=O)[N-]c2cc(F)c(OC(C)C)c(F)c2)on1 ZINC000450546065 501150763 /nfs/dbraw/zinc/15/07/63/501150763.db2.gz DIGQCKLPSYBHQS-UHFFFAOYSA-N -1 3 354.309 3.169 20 0 FGADHM CCOC(=O)C(C)(C)N(C)C(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436542756 501152873 /nfs/dbraw/zinc/15/28/73/501152873.db2.gz BGIVVAXXZHTIQD-UHFFFAOYSA-N -1 3 371.433 3.385 20 0 FGADHM CC(C)c1ccc(C(=O)N2CSC[C@H]2C(=O)N[C@H](C)C(C)C)c([O-])c1 ZINC000436546963 501153729 /nfs/dbraw/zinc/15/37/29/501153729.db2.gz PNSMEMAUUKZJEQ-CJNGLKHVSA-N -1 3 364.511 3.191 20 0 FGADHM COC(=O)[C@H]1CCCCN1C(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436548769 501154113 /nfs/dbraw/zinc/15/41/13/501154113.db2.gz SBEQQHMIPZYBHI-GOSISDBHSA-N -1 3 369.417 3.139 20 0 FGADHM COC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1ccc(C(C)C)cc1[O-] ZINC000436549816 501154441 /nfs/dbraw/zinc/15/44/41/501154441.db2.gz QTDNNXQGRGJCRY-GOSISDBHSA-N -1 3 353.418 3.256 20 0 FGADHM Cc1n[nH]cc1-c1nnc([N-]C(=O)c2cnc3onc(C(C)C)c3c2)s1 ZINC000441570786 501155253 /nfs/dbraw/zinc/15/52/53/501155253.db2.gz KLYDZPHFVWHQPR-UHFFFAOYSA-N -1 3 369.410 3.149 20 0 FGADHM O=C(Nc1cc(C(F)(F)F)ccc1[O-])c1ccnc(NC(=O)C2CC2)c1 ZINC000436557466 501155831 /nfs/dbraw/zinc/15/58/31/501155831.db2.gz WMXDJQKPIXHQPH-UHFFFAOYSA-N -1 3 365.311 3.407 20 0 FGADHM Cc1cccc(C(=O)N2CSC[C@H]2C(=O)N[C@H](C)CCC(C)C)c1[O-] ZINC000436560519 501156786 /nfs/dbraw/zinc/15/67/86/501156786.db2.gz DIEXBGGEJDEBOC-ZBFHGGJFSA-N -1 3 364.511 3.157 20 0 FGADHM Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(C)c(C)c3[O-])C2)n1 ZINC000436559626 501156974 /nfs/dbraw/zinc/15/69/74/501156974.db2.gz ALXWJVSPKRITNS-INIZCTEOSA-N -1 3 367.449 3.203 20 0 FGADHM Cc1ccc([O-])c(C(=O)NCc2ccccc2CN2C[C@@H](C)O[C@H](C)C2)c1 ZINC000436562346 501157779 /nfs/dbraw/zinc/15/77/79/501157779.db2.gz ADZGOTOVRNNUPP-IAGOWNOFSA-N -1 3 368.477 3.240 20 0 FGADHM COc1cc(CN2CCN(C(=O)c3ccccc3[O-])CC2)ccc1Cl ZINC000450573222 501157786 /nfs/dbraw/zinc/15/77/86/501157786.db2.gz WHNSGZAAQCNWGJ-UHFFFAOYSA-N -1 3 360.841 3.012 20 0 FGADHM Cc1noc(CCCNC(=O)c2cc(OCc3ccccc3)ccc2[O-])n1 ZINC000436567106 501158898 /nfs/dbraw/zinc/15/88/98/501158898.db2.gz XUBHDQUTEIBBKB-UHFFFAOYSA-N -1 3 367.405 3.025 20 0 FGADHM CCOC(=O)c1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2[O-])nc1 ZINC000436572582 501160498 /nfs/dbraw/zinc/16/04/98/501160498.db2.gz ZRJVXPXEMSTXQV-UHFFFAOYSA-N -1 3 370.283 3.115 20 0 FGADHM COc1ccccc1-c1noc([C@H](C)NC(=O)c2cccc(C)c2[O-])n1 ZINC000436576951 501160975 /nfs/dbraw/zinc/16/09/75/501160975.db2.gz SDNLPOULKKDBIU-LBPRGKRZSA-N -1 3 353.378 3.250 20 0 FGADHM COc1cc(OC)cc(N2CCCN(C(=O)c3cc(C)ccc3[O-])CC2)c1 ZINC000436579071 501161411 /nfs/dbraw/zinc/16/14/11/501161411.db2.gz WTUNKIXPTKYTRA-UHFFFAOYSA-N -1 3 370.449 3.070 20 0 FGADHM O=C(NCCc1nnc(-c2ccccc2)o1)c1cc2c(cc1[O-])CCCC2 ZINC000436583237 501162933 /nfs/dbraw/zinc/16/29/33/501162933.db2.gz JZKBGCJWEIFFBY-UHFFFAOYSA-N -1 3 363.417 3.294 20 0 FGADHM COc1cccc(C(=O)N[C@@H]2CCN(C)[C@H]2c2ccc(Cl)cc2)c1[O-] ZINC000436585647 501163356 /nfs/dbraw/zinc/16/33/56/501163356.db2.gz SWXJRMGTUXXTJJ-WBVHZDCISA-N -1 3 360.841 3.229 20 0 FGADHM Cc1cnn(-c2ccncc2[N-]S(=O)(=O)Cc2ccccc2Cl)c1 ZINC000446792924 501166025 /nfs/dbraw/zinc/16/60/25/501166025.db2.gz NFVBFCDRASGBTJ-UHFFFAOYSA-N -1 3 362.842 3.171 20 0 FGADHM COc1cc(CNC(=O)c2ccc(O)cc2[O-])ccc1OC1CCCC1 ZINC000436596839 501166967 /nfs/dbraw/zinc/16/69/67/501166967.db2.gz SBGQARJSDPCVKO-UHFFFAOYSA-N -1 3 357.406 3.358 20 0 FGADHM Cc1cc(C)n2nc(Cc3nc(-c4ccc([O-])c5ccccc45)no3)nc2n1 ZINC000436606715 501168053 /nfs/dbraw/zinc/16/80/53/501168053.db2.gz DWMOKOJDNHQHIE-UHFFFAOYSA-N -1 3 372.388 3.241 20 0 FGADHM C[C@H](NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2)C(=O)Cc1ccccc1 ZINC000436605750 501168339 /nfs/dbraw/zinc/16/83/39/501168339.db2.gz LMQALYSPXXJLHZ-ZDUSSCGKSA-N -1 3 353.418 3.036 20 0 FGADHM Cc1nc2n(n1)CCC[C@@H]2NC(=O)CCc1ccc2ccccc2c1[O-] ZINC000450062339 501169287 /nfs/dbraw/zinc/16/92/87/501169287.db2.gz PAKLANFKVFGGKR-KRWDZBQOSA-N -1 3 350.422 3.029 20 0 FGADHM Cc1cc(NC(=O)c2cc(Oc3ccccc3)ccc2[O-])cn(C)c1=O ZINC000436607863 501169443 /nfs/dbraw/zinc/16/94/43/501169443.db2.gz SPFIBXBLEQOOOS-UHFFFAOYSA-N -1 3 350.374 3.444 20 0 FGADHM C[C@@H]1CN(C(=O)c2cc(OCc3ccccc3)ccc2[O-])[C@H](C)CN1C ZINC000436618625 501171183 /nfs/dbraw/zinc/17/11/83/501171183.db2.gz OFQCSKBBTWTUAP-HZPDHXFCSA-N -1 3 354.450 3.136 20 0 FGADHM C[C@@H]1CCCC[C@H]1CCNC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436627942 501172646 /nfs/dbraw/zinc/17/26/46/501172646.db2.gz VZQLRBXJOUJIDT-SOLBZPMBSA-N -1 3 358.482 3.329 20 0 FGADHM CSc1ccc(N(C)C(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])cc1 ZINC000436629034 501173523 /nfs/dbraw/zinc/17/35/23/501173523.db2.gz ICOQFEMUDNPVKB-QGZVFWFLSA-N -1 3 370.474 3.382 20 0 FGADHM Cc1cccc2ncnc(NC3CCN(C(=O)c4ccccc4[O-])CC3)c12 ZINC000436639588 501176519 /nfs/dbraw/zinc/17/65/19/501176519.db2.gz DOPPIPATCOPVSO-UHFFFAOYSA-N -1 3 362.433 3.361 20 0 FGADHM C[C@@H](Cc1cc(Br)ccc1F)NC(=O)c1c([O-])cccc1O ZINC000436650307 501178829 /nfs/dbraw/zinc/17/88/29/501178829.db2.gz YSLJPLUIOQVEBC-VIFPVBQESA-N -1 3 368.202 3.360 20 0 FGADHM CCC[C@@H](NC(=O)c1ccc(C)cc1[O-])C(=O)N1CCc2sccc2C1 ZINC000436653902 501179433 /nfs/dbraw/zinc/17/94/33/501179433.db2.gz GTJSJDCNNYTSFM-MRXNPFEDSA-N -1 3 372.490 3.246 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N(C)Cc2ccc(Cl)cc2)c([O-])c1 ZINC000436665611 501182520 /nfs/dbraw/zinc/18/25/20/501182520.db2.gz NSFPKNLLCGGYAU-UHFFFAOYSA-N -1 3 360.841 3.133 20 0 FGADHM COC(=O)CN(CCc1ccccc1)C(=O)c1ccc(C(C)C)cc1[O-] ZINC000436673871 501184922 /nfs/dbraw/zinc/18/49/22/501184922.db2.gz PYWGKPNFFHEXGA-UHFFFAOYSA-N -1 3 355.434 3.374 20 0 FGADHM COC(=O)c1cc(S(=O)(=O)Nc2c(C)c(C)ccc2Cl)ccc1[O-] ZINC000446946943 501185149 /nfs/dbraw/zinc/18/51/49/501185149.db2.gz CJUNLAAOTFQDOA-UHFFFAOYSA-N -1 3 369.826 3.250 20 0 FGADHM CC1(C)Cc2ccc(C(=O)Nc3nnc(-c4ccccn4)s3)c([O-])c2O1 ZINC000436679653 501187176 /nfs/dbraw/zinc/18/71/76/501187176.db2.gz GWKJLZQZEQJFKP-UHFFFAOYSA-N -1 3 368.418 3.272 20 0 FGADHM CCS(=O)(=O)c1ccc(CCc2nc(-c3ccc([O-])cc3)no2)cc1 ZINC000436684694 501187606 /nfs/dbraw/zinc/18/76/06/501187606.db2.gz DYMYLYGRIYQIAA-UHFFFAOYSA-N -1 3 358.419 3.021 20 0 FGADHM C[C@H](NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2)c1ccc([S@](C)=O)cc1 ZINC000436687991 501188469 /nfs/dbraw/zinc/18/84/69/501188469.db2.gz SGNRPJOFTGBHMH-QDXKXIGTSA-N -1 3 373.474 3.334 20 0 FGADHM COc1cc(-c2nc(-c3ccc4c(c3)ncn4C)no2)cc(OC)c1[O-] ZINC000436687267 501188730 /nfs/dbraw/zinc/18/87/30/501188730.db2.gz IEOWHIJFZJUUAA-UHFFFAOYSA-N -1 3 352.350 3.013 20 0 FGADHM CC(C)(C)[C@H](O)C[C@@H](CO)NC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436702830 501191224 /nfs/dbraw/zinc/19/12/24/501191224.db2.gz GHTYTYAMUKYTCI-IFXJQAMLSA-N -1 3 373.449 3.072 20 0 FGADHM CCCOc1ccc(NC(=O)CCNC(=O)c2ccc(C)cc2[O-])cc1 ZINC000436701083 501191372 /nfs/dbraw/zinc/19/13/72/501191372.db2.gz YUSMFIBFRPWTFM-UHFFFAOYSA-N -1 3 356.422 3.248 20 0 FGADHM CC(C)[C@@H]1CCC[C@@H](NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)C1 ZINC000436701412 501191575 /nfs/dbraw/zinc/19/15/75/501191575.db2.gz AHCCHYXOIABBKI-IAGOWNOFSA-N -1 3 373.497 3.074 20 0 FGADHM COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)c1cccc(OC)c1[O-] ZINC000436711995 501193975 /nfs/dbraw/zinc/19/39/75/501193975.db2.gz DESJMJJFXIDTPD-INIZCTEOSA-N -1 3 371.433 3.231 20 0 FGADHM C[S@](=O)Cc1ccc(CNC(=O)c2ccc3c(c2[O-])CCCC3)cc1 ZINC000436711054 501193981 /nfs/dbraw/zinc/19/39/81/501193981.db2.gz CMOHOOYTKSYDQG-VWLOTQADSA-N -1 3 357.475 3.080 20 0 FGADHM CC1(C)CN(C(=O)c2cc3c(cc2[O-])CCCC3)C[C@@H](C(F)(F)F)O1 ZINC000436710254 501194061 /nfs/dbraw/zinc/19/40/61/501194061.db2.gz ZVLYKDRSSRQXFN-HNNXBMFYSA-N -1 3 357.372 3.453 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)NCC2CC(c3ccccc3)C2)c([O-])c1 ZINC000436713116 501194638 /nfs/dbraw/zinc/19/46/38/501194638.db2.gz AXSHFHBVUPLDQH-UHFFFAOYSA-N -1 3 366.461 3.131 20 0 FGADHM COc1cccc(N2CC[C@@H](CNC(=O)c3ccc(C)c(C)c3[O-])C2)c1 ZINC000436720055 501196346 /nfs/dbraw/zinc/19/63/46/501196346.db2.gz FBTZWOFGNOBNQG-INIZCTEOSA-N -1 3 354.450 3.274 20 0 FGADHM COc1ccc(C(=O)NCCc2cnc(SC3CCCC3)nc2)c([O-])c1 ZINC000436730572 501199120 /nfs/dbraw/zinc/19/91/20/501199120.db2.gz XIORGCHRZCIASD-UHFFFAOYSA-N -1 3 373.478 3.198 20 0 FGADHM CCc1nc2cc(CNC(=O)c3c([O-])cccc3O)ccc2n1C1CC1 ZINC000436734342 501199348 /nfs/dbraw/zinc/19/93/48/501199348.db2.gz AABRQSZGRQATGG-UHFFFAOYSA-N -1 3 351.406 3.275 20 0 FGADHM COc1ccc2nc(-c3cc(Br)c([O-])c(OC)c3)[nH]c2n1 ZINC000436736409 501201009 /nfs/dbraw/zinc/20/10/09/501201009.db2.gz GSKXLQZUILSUFD-UHFFFAOYSA-N -1 3 350.172 3.110 20 0 FGADHM COc1ccc(Cl)cc1CNC(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000436735769 501201041 /nfs/dbraw/zinc/20/10/41/501201041.db2.gz DKSBNGLUDOZLPG-UHFFFAOYSA-N -1 3 351.786 3.001 20 0 FGADHM O=C(NCc1nc2cccnc2[nH]1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436740924 501202435 /nfs/dbraw/zinc/20/24/35/501202435.db2.gz UBTPHCKAYKVGQX-UHFFFAOYSA-N -1 3 360.373 3.386 20 0 FGADHM Cc1ccc(C(=O)N2CCN(CCOc3ccccc3Cl)CC2)c([O-])c1 ZINC000436754843 501204763 /nfs/dbraw/zinc/20/47/63/501204763.db2.gz ITILPTYTDNESFR-UHFFFAOYSA-N -1 3 374.868 3.191 20 0 FGADHM COc1ccc([C@H](CNC(=O)c2cc(F)ccc2[O-])N2CCCC2)cc1 ZINC000436754164 501204892 /nfs/dbraw/zinc/20/48/92/501204892.db2.gz HQAUEURPQDAHTK-SFHVURJKSA-N -1 3 358.413 3.107 20 0 FGADHM O=C(NCCOCC(F)(F)F)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436757315 501206057 /nfs/dbraw/zinc/20/60/57/501206057.db2.gz SJRBLRUBTGSSEU-UHFFFAOYSA-N -1 3 369.339 3.280 20 0 FGADHM CCCCNS(=O)(=O)c1cccc(NC(=O)c2cccc(C)c2[O-])c1 ZINC000436756666 501206105 /nfs/dbraw/zinc/20/61/05/501206105.db2.gz SFTOVAKMWHFQNP-UHFFFAOYSA-N -1 3 362.451 3.031 20 0 FGADHM COC(=O)c1ccsc1[N-]C(=O)C(=O)N(Cc1ccccc1)CC(C)C ZINC000442190429 501206361 /nfs/dbraw/zinc/20/63/61/501206361.db2.gz AFHVUTAECMTZBA-UHFFFAOYSA-N -1 3 374.462 3.158 20 0 FGADHM CC1(C)Cc2ccc(C(=O)Nc3ccc(N4CCCC4=O)cc3)c([O-])c2O1 ZINC000436773923 501209255 /nfs/dbraw/zinc/20/92/55/501209255.db2.gz LALLJYIVVISENR-UHFFFAOYSA-N -1 3 366.417 3.485 20 0 FGADHM CC1(C)Cc2ccc(C(=O)NCCCn3cnc4ccccc43)c([O-])c2O1 ZINC000436779558 501210311 /nfs/dbraw/zinc/21/03/11/501210311.db2.gz WIKGGOFQMSDPMY-UHFFFAOYSA-N -1 3 365.433 3.276 20 0 FGADHM Cc1ccc(C(=O)Nc2ccc(O[C@H]3CCN(C)C3=O)cc2C)c([O-])c1C ZINC000436780038 501210454 /nfs/dbraw/zinc/21/04/54/501210454.db2.gz MOZZRYPSMYZOLP-SFHVURJKSA-N -1 3 368.433 3.179 20 0 FGADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)Nc1cc(Cl)ccc1O ZINC000436789348 501211989 /nfs/dbraw/zinc/21/19/89/501211989.db2.gz BOSLMYFYJPLBQR-UHFFFAOYSA-N -1 3 358.785 3.163 20 0 FGADHM CCN(CCNC(=O)c1cc(Cl)c([O-])c(OC)c1)CCC(F)(F)F ZINC000436808567 501214252 /nfs/dbraw/zinc/21/42/52/501214252.db2.gz LYFHEMNSRFGUFH-UHFFFAOYSA-N -1 3 368.783 3.058 20 0 FGADHM CCc1ccc(C(=O)Nc2cc(OC)c(OC)cc2C(=O)OC)c([O-])c1 ZINC000436810446 501215009 /nfs/dbraw/zinc/21/50/09/501215009.db2.gz RSRNNAFHIDNDLE-UHFFFAOYSA-N -1 3 359.378 3.011 20 0 FGADHM CCc1ccc(C(=O)Nc2ccc(CCN3CCOCC3)cc2)c([O-])c1 ZINC000436809892 501215019 /nfs/dbraw/zinc/21/50/19/501215019.db2.gz VRZVPQAYLRXMQG-UHFFFAOYSA-N -1 3 354.450 3.082 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C)CCC2CC2)c1 ZINC000436822376 501217026 /nfs/dbraw/zinc/21/70/26/501217026.db2.gz UCVQCTHYTSCYAS-NSHDSACASA-N -1 3 357.410 3.249 20 0 FGADHM O=C(c1ccccc1[O-])N1CCN([C@@H]2CCc3ccc(Cl)cc32)CC1 ZINC000436831743 501218391 /nfs/dbraw/zinc/21/83/91/501218391.db2.gz GFJMNBUFPDMPMD-GOSISDBHSA-N -1 3 356.853 3.491 20 0 FGADHM CCc1ccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCOC)c([O-])c1 ZINC000436837078 501219097 /nfs/dbraw/zinc/21/90/97/501219097.db2.gz IZHIBALPOOQXGV-UHFFFAOYSA-N -1 3 368.433 3.133 20 0 FGADHM CC[C@H]1CN(C(=O)c2cc3c(cc2[O-])CCCC3)CCN1CC(F)F ZINC000436834978 501219142 /nfs/dbraw/zinc/21/91/42/501219142.db2.gz BPIWUQKWTAWTBV-HNNXBMFYSA-N -1 3 352.425 3.073 20 0 FGADHM CCc1ccc(-c2nc(-c3ccc(OCC(=O)N(C)C)cc3)no2)c([O-])c1 ZINC000436856382 501222453 /nfs/dbraw/zinc/22/24/53/501222453.db2.gz XPSYSLBRXKOOSV-UHFFFAOYSA-N -1 3 367.405 3.139 20 0 FGADHM CC[C@@H](NC(=O)c1cc(NC(C)=O)ccc1[O-])c1ccc(OC)c(OC)c1 ZINC000436860858 501222689 /nfs/dbraw/zinc/22/26/89/501222689.db2.gz QIUYTASCHWYXMU-MRXNPFEDSA-N -1 3 372.421 3.249 20 0 FGADHM O=C(NCc1ccnc(Oc2ccccc2F)c1)c1c([O-])cccc1O ZINC000436864894 501223310 /nfs/dbraw/zinc/22/33/10/501223310.db2.gz OVQOZDOTNRSTTG-UHFFFAOYSA-N -1 3 354.337 3.354 20 0 FGADHM CC[C@@](C)(COc1ncccc1Cl)NC(=O)Cc1ccc([O-])c(F)c1 ZINC000450275205 501223609 /nfs/dbraw/zinc/22/36/09/501223609.db2.gz MBGFQEOOEQYBNS-SFHVURJKSA-N -1 3 366.820 3.486 20 0 FGADHM CN(C)[C@H](CNC(=O)c1cc(F)c([O-])c(Cl)c1)Cc1ccccc1 ZINC000436865678 501224219 /nfs/dbraw/zinc/22/42/19/501224219.db2.gz SREXFIYJMMSCBP-AWEZNQCLSA-N -1 3 350.821 3.087 20 0 FGADHM COc1cc(Br)ccc1[C@H](C)NC(=O)c1c([O-])cccc1O ZINC000436866712 501224234 /nfs/dbraw/zinc/22/42/34/501224234.db2.gz ZZPILHKPPNBZOT-VIFPVBQESA-N -1 3 366.211 3.360 20 0 FGADHM [O-]c1ccc(-c2noc([C@H](c3cccc(F)c3)N3CCOCC3)n2)cc1 ZINC000436874144 501225475 /nfs/dbraw/zinc/22/54/75/501225475.db2.gz ZLZRGNIDUWRAHB-KRWDZBQOSA-N -1 3 355.369 3.003 20 0 FGADHM CC[C@H](NC(=O)c1ccccc1)c1noc(-c2cc(OC)ccc2[O-])n1 ZINC000436883271 501226984 /nfs/dbraw/zinc/22/69/84/501226984.db2.gz CSGVTPADQPGISY-HNNXBMFYSA-N -1 3 353.378 3.332 20 0 FGADHM COc1cc(C=C(Cc2ccccc2)c2nccc(=O)[n-]2)cc(OC)c1O ZINC000436886939 501227141 /nfs/dbraw/zinc/22/71/41/501227141.db2.gz MUJXBXZHGYRBMR-LFIBNONCSA-N -1 3 364.401 3.276 20 0 FGADHM C[C@@H](c1cccc(Br)c1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000450918286 501229193 /nfs/dbraw/zinc/22/91/93/501229193.db2.gz IBZVACQYOVFBDC-JTQLQIEISA-N -1 3 352.232 3.478 20 0 FGADHM CC[C@@]1(c2ccc(NC(=O)c3ccc([O-])c(C)c3)cc2)CCC(=O)NC1=O ZINC000436898725 501229488 /nfs/dbraw/zinc/22/94/88/501229488.db2.gz ZLDKESMZMFNQGB-NRFANRHFSA-N -1 3 366.417 3.037 20 0 FGADHM COc1ccc([C@@H](NC(=O)c2cc(OC)ccc2[O-])C(F)(F)F)cc1 ZINC000436901857 501229618 /nfs/dbraw/zinc/22/96/18/501229618.db2.gz OHMINEMONLTQNK-OAHLLOKOSA-N -1 3 355.312 3.443 20 0 FGADHM O=C(NCc1noc(C2CC2)n1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436914943 501232058 /nfs/dbraw/zinc/23/20/58/501232058.db2.gz LPTLDDGAUZINJR-UHFFFAOYSA-N -1 3 351.362 3.375 20 0 FGADHM Cc1ccc([N-]S(=O)(=O)c2cccc3ccoc32)c(OCCN(C)C)c1 ZINC000450973741 501236162 /nfs/dbraw/zinc/23/61/62/501236162.db2.gz UCWCEYGDTWVENE-UHFFFAOYSA-N -1 3 374.462 3.482 20 0 FGADHM CN(C)[C@@H](C[N-]S(=O)(=O)c1sccc1Cl)c1ccc(F)cc1 ZINC000451083135 501244145 /nfs/dbraw/zinc/24/41/45/501244145.db2.gz HLGLVHNHDLUOIA-ZDUSSCGKSA-N -1 3 362.879 3.122 20 0 FGADHM CCS(=O)(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000451110486 501246554 /nfs/dbraw/zinc/24/65/54/501246554.db2.gz CSJHGUVYAQDCAD-UHFFFAOYSA-N -1 3 367.492 3.039 20 0 FGADHM Cc1csc(S(=O)(=O)[N-]C[C@H]2CCCN(C)[C@H]2c2cccs2)c1 ZINC000451241176 501254260 /nfs/dbraw/zinc/25/42/60/501254260.db2.gz KGONPMDTJFPSII-CZUORRHYSA-N -1 3 370.565 3.479 20 0 FGADHM Cc1csc(S(=O)(=O)[N-][C@@H]2CCN(Cc3ccccc3)C[C@H]2C)c1 ZINC000451288534 501257639 /nfs/dbraw/zinc/25/76/39/501257639.db2.gz TZYIZKOUINLGQH-NVXWUHKLSA-N -1 3 364.536 3.245 20 0 FGADHM CO[C@H](C)c1nc(C[N-]S(=O)(=O)C[C@@H]2CCCCC2(F)F)cs1 ZINC000451310048 501262008 /nfs/dbraw/zinc/26/20/08/501262008.db2.gz XHJHSWXJDDNCGD-MNOVXSKESA-N -1 3 368.471 3.095 20 0 FGADHM CO[C@@H](C)c1nc(C[N-]S(=O)(=O)C[C@@H]2CCCCC2(F)F)cs1 ZINC000451310049 501262040 /nfs/dbraw/zinc/26/20/40/501262040.db2.gz XHJHSWXJDDNCGD-QWRGUYRKSA-N -1 3 368.471 3.095 20 0 FGADHM CC(F)(F)CCC[N-]S(=O)(=O)c1ccc(F)c(Br)c1 ZINC000451604787 501335296 /nfs/dbraw/zinc/33/52/96/501335296.db2.gz BPJRUGVHPZSPMJ-UHFFFAOYSA-N -1 3 360.195 3.302 20 0 FGADHM O=S(=O)([N-]CCCC1CCOCC1)c1ccccc1C(F)(F)F ZINC000451604924 501335439 /nfs/dbraw/zinc/33/54/39/501335439.db2.gz CDNATQKCNULIEG-UHFFFAOYSA-N -1 3 351.390 3.191 20 0 FGADHM CC[C@@H](C)[C@H](C[N-]S(=O)(=O)c1sc(C)cc1Br)OC ZINC000451676615 501348708 /nfs/dbraw/zinc/34/87/08/501348708.db2.gz FDJOKGOVEOUYGA-KCJUWKMLSA-N -1 3 370.334 3.158 20 0 FGADHM O=S(=O)([N-][C@H](CCO)c1cccc(C(F)(F)F)c1)c1cccs1 ZINC000451734315 501362653 /nfs/dbraw/zinc/36/26/53/501362653.db2.gz WLTDXLFOVDGWSO-GFCCVEGCSA-N -1 3 365.398 3.169 20 0 FGADHM COc1cccc2c1C[C@@H](NC(=O)c1cc([O-])ccc1C(F)(F)F)C2 ZINC000458085994 501369808 /nfs/dbraw/zinc/36/98/08/501369808.db2.gz NOVXMCLOSOKSFF-NSHDSACASA-N -1 3 351.324 3.317 20 0 FGADHM CC(C)[C@@H]1C[C@H]1NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000458109670 501373915 /nfs/dbraw/zinc/37/39/15/501373915.db2.gz GDKJOWMKRSKGOW-SLFFLAALSA-N -1 3 366.461 3.414 20 0 FGADHM C[C@@H](Cc1cnn(C)c1)[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000451960423 501409147 /nfs/dbraw/zinc/40/91/47/501409147.db2.gz FFFSLXVETBWKOI-JTQLQIEISA-N -1 3 369.899 3.198 20 0 FGADHM CCn1cc([C@H](C)[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)cn1 ZINC000451997552 501415215 /nfs/dbraw/zinc/41/52/15/501415215.db2.gz AHXKLDKJEUGLCA-QMMMGPOBSA-N -1 3 366.245 3.388 20 0 FGADHM CC(C)OC(=O)[C@H](C)[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000452010830 501418186 /nfs/dbraw/zinc/41/81/86/501418186.db2.gz KSYOELYIDZFBBA-NSHDSACASA-N -1 3 355.843 3.112 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]CCC[C@@H]2CCOC2)c(Cl)c1Cl ZINC000452023718 501420240 /nfs/dbraw/zinc/42/02/40/501420240.db2.gz XAXSNLFNSUBQBZ-SNVBAGLBSA-N -1 3 368.282 3.097 20 0 FGADHM COc1cc(C(N)=O)ccc1NC(=O)Nc1ccc([O-])c(COC(C)C)c1 ZINC000455983523 501431392 /nfs/dbraw/zinc/43/13/92/501431392.db2.gz LRMSGIQQHPCEOG-UHFFFAOYSA-N -1 3 373.409 3.069 20 0 FGADHM C[C@H](CN(C)C(=O)CCCc1ccc([O-])c(F)c1)C(=O)OC(C)(C)C ZINC000458394692 501435435 /nfs/dbraw/zinc/43/54/35/501435435.db2.gz PONOWUUTQXQBON-CYBMUJFWSA-N -1 3 353.434 3.290 20 0 FGADHM Cc1cccc(CN(C)C(=O)NCc2ccc([O-])c(Br)c2)n1 ZINC000458558506 501474303 /nfs/dbraw/zinc/47/43/03/501474303.db2.gz UNGXAPVKJGRFJG-UHFFFAOYSA-N -1 3 364.243 3.200 20 0 FGADHM C[C@H]1CN(Cc2ccccc2)CCN(C(=O)c2c(F)ccc([O-])c2F)C1 ZINC000456327388 501499104 /nfs/dbraw/zinc/49/91/04/501499104.db2.gz HHOCGSNHMKKXMQ-AWEZNQCLSA-N -1 3 360.404 3.265 20 0 FGADHM CN(C(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1)[C@H](CO)CC(C)(C)C ZINC000456448165 501528030 /nfs/dbraw/zinc/52/80/30/501528030.db2.gz OQPPTGLZNSNHCK-SFHVURJKSA-N -1 3 369.461 3.492 20 0 FGADHM Cc1c(Br)ccc([O-])c1NC(=O)c1ccc(CN(C)C)nc1 ZINC000452760709 501558336 /nfs/dbraw/zinc/55/83/36/501558336.db2.gz WKUMMHVDQXXBLG-UHFFFAOYSA-N -1 3 364.243 3.172 20 0 FGADHM O=C(CNC(=O)c1cccc([O-])c1)NC[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000456734582 501589058 /nfs/dbraw/zinc/58/90/58/501589058.db2.gz CZUSOVIBMYRXCE-UYAOXDASSA-N -1 3 366.461 3.212 20 0 FGADHM CCC1(NC(=O)Cc2csc(NC(=O)c3cccc([O-])c3)n2)CCCC1 ZINC000452969063 501594689 /nfs/dbraw/zinc/59/46/89/501594689.db2.gz DNARBUXHEKYNNZ-UHFFFAOYSA-N -1 3 373.478 3.483 20 0 FGADHM COc1cccc([C@H]2C[C@H](N(C)C(=O)c3cc(NC(C)=O)ccc3[O-])C2)c1 ZINC000456931670 501621402 /nfs/dbraw/zinc/62/14/02/501621402.db2.gz ZAEYWAMEYUYPRL-JCNLHEQBSA-N -1 3 368.433 3.377 20 0 FGADHM COC[C@H]1CCCCN1C(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000456957952 501625888 /nfs/dbraw/zinc/62/58/88/501625888.db2.gz IKYIDIIIMZRDPA-GOSISDBHSA-N -1 3 353.418 3.264 20 0 FGADHM [O-]c1cccc(CN2CCO[C@H](c3nccs3)C2)c1Br ZINC000459333350 501632541 /nfs/dbraw/zinc/63/25/41/501632541.db2.gz ZXRRRZFWFXUZLH-LBPRGKRZSA-N -1 3 355.257 3.185 20 0 FGADHM O=c1cc(CN(CCO)[C@H]2CCc3ccccc32)nc(-c2ccccc2)[n-]1 ZINC000459340737 501634943 /nfs/dbraw/zinc/63/49/43/501634943.db2.gz IWWVTKUOWWBNDY-FQEVSTJZSA-N -1 3 361.445 3.331 20 0 FGADHM Cc1nc(C2(NCc3cc(=O)[n-]c(-c4ccccc4)n3)CCCCC2)no1 ZINC000459362615 501639253 /nfs/dbraw/zinc/63/92/53/501639253.db2.gz XRPJBRIUGQAGDR-UHFFFAOYSA-N -1 3 365.437 3.490 20 0 FGADHM COc1cc(F)cc(C[C@H](C)NC(=O)Cc2ccc([O-])cc2Cl)c1 ZINC000457069738 501644713 /nfs/dbraw/zinc/64/47/13/501644713.db2.gz VSANAHZKRNZMEO-NSHDSACASA-N -1 3 351.805 3.483 20 0 FGADHM C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1C(=O)N=c1cc(OC(F)F)n(C)[n-]1 ZINC000455197905 501706060 /nfs/dbraw/zinc/70/60/60/501706060.db2.gz BOSIOYRDIAMSTM-DYEKYZERSA-N -1 3 364.396 3.242 20 0 FGADHM Cc1cc(F)ccc1[C@@H]1CCCN1C(=O)N=c1cc(OC(F)F)n(C)[n-]1 ZINC000455208567 501708072 /nfs/dbraw/zinc/70/80/72/501708072.db2.gz MHDCTBVKJDNAGG-ZDUSSCGKSA-N -1 3 368.359 3.260 20 0 FGADHM CC[C@@H](C)[C@H](CNC(=O)NCc1ccc([O-])c(Br)c1)OC ZINC000455221731 501710342 /nfs/dbraw/zinc/71/03/42/501710342.db2.gz KCTQZESHKYTYNX-YGRLFVJLSA-N -1 3 359.264 3.015 20 0 FGADHM Cc1[nH]nc2nc(C)cc(C(=O)Nc3nnc(-c4cc5ccccc5o4)[n-]3)c12 ZINC000485126739 501730246 /nfs/dbraw/zinc/73/02/46/501730246.db2.gz YCWCBCRSEXPJMC-UHFFFAOYSA-N -1 3 373.376 3.358 20 0 FGADHM Cc1[nH]nc2nc(C)cc(C(=O)Nc3nc(-c4cc5ccccc5o4)n[n-]3)c12 ZINC000485126739 501730248 /nfs/dbraw/zinc/73/02/48/501730248.db2.gz YCWCBCRSEXPJMC-UHFFFAOYSA-N -1 3 373.376 3.358 20 0 FGADHM Cc1[nH]nc2nc(C)cc(C(=O)Nc3n[n-]c(-c4cc5ccccc5o4)n3)c12 ZINC000485126739 501730250 /nfs/dbraw/zinc/73/02/50/501730250.db2.gz YCWCBCRSEXPJMC-UHFFFAOYSA-N -1 3 373.376 3.358 20 0 FGADHM Cc1noc(C)c1CCC(=O)Nc1nnc(-c2cc3ccccc3o2)[n-]1 ZINC000485128071 501730268 /nfs/dbraw/zinc/73/02/68/501730268.db2.gz WCHHVZDZNYSWBE-UHFFFAOYSA-N -1 3 351.366 3.394 20 0 FGADHM Cc1noc(C)c1CCC(=O)Nc1nc(-c2cc3ccccc3o2)n[n-]1 ZINC000485128071 501730272 /nfs/dbraw/zinc/73/02/72/501730272.db2.gz WCHHVZDZNYSWBE-UHFFFAOYSA-N -1 3 351.366 3.394 20 0 FGADHM Cc1noc(C)c1CCC(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000485128071 501730273 /nfs/dbraw/zinc/73/02/73/501730273.db2.gz WCHHVZDZNYSWBE-UHFFFAOYSA-N -1 3 351.366 3.394 20 0 FGADHM COC(=O)[C@@H]1CCC[C@H](C(=O)Nc2nnc(-c3cc4ccccc4o3)[n-]2)C1 ZINC000485143122 501736773 /nfs/dbraw/zinc/73/67/73/501736773.db2.gz PNFIUWBCRAVVHK-QWHCGFSZSA-N -1 3 368.393 3.136 20 0 FGADHM COC(=O)[C@@H]1CCC[C@H](C(=O)Nc2nc(-c3cc4ccccc4o3)n[n-]2)C1 ZINC000485143122 501736779 /nfs/dbraw/zinc/73/67/79/501736779.db2.gz PNFIUWBCRAVVHK-QWHCGFSZSA-N -1 3 368.393 3.136 20 0 FGADHM COC(=O)[C@@H]1CCC[C@H](C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)C1 ZINC000485143122 501736786 /nfs/dbraw/zinc/73/67/86/501736786.db2.gz PNFIUWBCRAVVHK-QWHCGFSZSA-N -1 3 368.393 3.136 20 0 FGADHM O=S(=O)([N-]CCOCc1ccccc1)c1c(Cl)cccc1Cl ZINC000474190380 501737841 /nfs/dbraw/zinc/73/78/41/501737841.db2.gz ORUQGJQWGNOBLF-UHFFFAOYSA-N -1 3 360.262 3.489 20 0 FGADHM CC(C)[C@H]1CCC[C@H](NC(=O)[C@H](C)[N-]S(=O)(=O)c2cccs2)CC1 ZINC000470593874 501738452 /nfs/dbraw/zinc/73/84/52/501738452.db2.gz BMLAWXVFIANXFN-KKUMJFAQSA-N -1 3 372.556 3.136 20 0 FGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]C[C@@H](C)Cn1cccn1 ZINC000470629369 501748899 /nfs/dbraw/zinc/74/88/99/501748899.db2.gz UYAGEYOUZTUGGZ-LLVKDONJSA-N -1 3 367.858 3.206 20 0 FGADHM O=c1[n-]c(CN2CCc3ccccc3[C@@H]2CO)nc2c3ccccc3oc21 ZINC000474266078 501767235 /nfs/dbraw/zinc/76/72/35/501767235.db2.gz LTSACUDEBUHIEO-INIZCTEOSA-N -1 3 361.401 3.173 20 0 FGADHM O=C(c1c[n-]c2ccccc2c1=O)N1CC(c2nc3ccccc3s2)C1 ZINC000477724375 501769419 /nfs/dbraw/zinc/76/94/19/501769419.db2.gz XBTMZKBOMUWPBZ-UHFFFAOYSA-N -1 3 361.426 3.377 20 0 FGADHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(C3=NNC(=O)CC3)cc2)c(C)c1 ZINC000485261621 501772380 /nfs/dbraw/zinc/77/23/80/501772380.db2.gz OTCBZOCDLXAEFH-UHFFFAOYSA-N -1 3 371.462 3.027 20 0 FGADHM CCOc1cc(CNc2ccc(C(N)=O)cc2)cc(Br)c1[O-] ZINC000485263549 501773034 /nfs/dbraw/zinc/77/30/34/501773034.db2.gz FPLFQABYSNMSME-UHFFFAOYSA-N -1 3 365.227 3.264 20 0 FGADHM O=S(=O)([N-][C@H]1COc2ccc(Cl)cc21)c1cc(F)c(F)c(F)c1 ZINC000474295934 501779932 /nfs/dbraw/zinc/77/99/32/501779932.db2.gz DYQCSSATWHUODI-LBPRGKRZSA-N -1 3 363.744 3.169 20 0 FGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@H](C)C1CCOCC1 ZINC000474297266 501780281 /nfs/dbraw/zinc/78/02/81/501780281.db2.gz BUEYCMITMKVFDP-LLVKDONJSA-N -1 3 357.859 3.488 20 0 FGADHM Cc1nc(C)c(S(=O)(=O)[N-]CCCO[C@H](C)c2ccccc2)s1 ZINC000481464708 501783953 /nfs/dbraw/zinc/78/39/53/501783953.db2.gz MMGYLOKISHEYOQ-CYBMUJFWSA-N -1 3 354.497 3.206 20 0 FGADHM CC(C)Cn1cnc(S(=O)(=O)[N-]Cc2ccc(Cl)cc2Cl)c1 ZINC000470761218 501793702 /nfs/dbraw/zinc/79/37/02/501793702.db2.gz HXEJFHULURKUOH-UHFFFAOYSA-N -1 3 362.282 3.324 20 0 FGADHM Cc1nc(-c2ccc(NC(=O)Nc3cnn(C(F)F)c3)cc2)cc(=O)[n-]1 ZINC000463720073 501802825 /nfs/dbraw/zinc/80/28/25/501802825.db2.gz CQMSNATWJFVOAY-UHFFFAOYSA-N -1 3 360.324 3.393 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000463723922 501803185 /nfs/dbraw/zinc/80/31/85/501803185.db2.gz GTCQHEMXYQLGJP-RYUDHWBXSA-N -1 3 359.311 3.026 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000463723922 501803187 /nfs/dbraw/zinc/80/31/87/501803187.db2.gz GTCQHEMXYQLGJP-RYUDHWBXSA-N -1 3 359.311 3.026 20 0 FGADHM CCC1(C)CN(C(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)C1 ZINC000463743992 501810080 /nfs/dbraw/zinc/81/00/80/501810080.db2.gz JFHQEGVCEZLOBN-UHFFFAOYSA-N -1 3 371.478 3.166 20 0 FGADHM COCc1nc(S[C@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)n[n-]1 ZINC000474384856 501816049 /nfs/dbraw/zinc/81/60/49/501816049.db2.gz NQCVXIZYSQSVIO-SNVBAGLBSA-N -1 3 354.863 3.341 20 0 FGADHM CCOC(=O)c1c(C(C)C)csc1[N-]C(=O)C(=O)N1CCC[C@@H]1CC ZINC000467630115 501835837 /nfs/dbraw/zinc/83/58/37/501835837.db2.gz OODPOZXHULYEKS-LBPRGKRZSA-N -1 3 366.483 3.388 20 0 FGADHM CCCCc1nc(C(=O)OCC)c(NC(=O)c2cccc(C(C)=O)c2)[n-]1 ZINC000485705568 501908996 /nfs/dbraw/zinc/90/89/96/501908996.db2.gz PEIFCBGVSZQDDG-UHFFFAOYSA-N -1 3 357.410 3.384 20 0 FGADHM CCCCc1nc(NC(=O)c2cccc(C(C)=O)c2)c(C(=O)OCC)[n-]1 ZINC000485705568 501908999 /nfs/dbraw/zinc/90/89/99/501908999.db2.gz PEIFCBGVSZQDDG-UHFFFAOYSA-N -1 3 357.410 3.384 20 0 FGADHM CC(C)(CNC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)c1c(F)cccc1Cl ZINC000464168605 501912617 /nfs/dbraw/zinc/91/26/17/501912617.db2.gz HVJRRRQCYNFZDO-UHFFFAOYSA-N -1 3 374.799 3.070 20 0 FGADHM O=c1[n-]c(-c2cnc(OCC(F)(F)F)cn2)nc2ccc(Cl)cc12 ZINC000478222320 501914664 /nfs/dbraw/zinc/91/46/64/501914664.db2.gz DJNDXQXRQCVNAG-UHFFFAOYSA-N -1 3 356.691 3.387 20 0 FGADHM CC(C)c1ccc(S(=O)(=O)[N-]c2ccncc2Br)cc1 ZINC000481947394 501926555 /nfs/dbraw/zinc/92/65/55/501926555.db2.gz YAHAVKNZBVKLSS-UHFFFAOYSA-N -1 3 355.257 3.190 20 0 FGADHM CSc1nc(C(C)C)nc(C)c1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000474701767 501926907 /nfs/dbraw/zinc/92/69/07/501926907.db2.gz ALCJCYCOVAXSBY-UHFFFAOYSA-N -1 3 369.454 3.063 20 0 FGADHM CSc1nc(C(C)C)nc(C)c1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000474701767 501926910 /nfs/dbraw/zinc/92/69/10/501926910.db2.gz ALCJCYCOVAXSBY-UHFFFAOYSA-N -1 3 369.454 3.063 20 0 FGADHM CCC[C@@H](NC(=O)CNC(=O)c1cccc([O-])c1)c1ccc(F)cc1F ZINC000474728224 501935101 /nfs/dbraw/zinc/93/51/01/501935101.db2.gz CSUAMAQSXYBOAW-QGZVFWFLSA-N -1 3 362.376 3.058 20 0 FGADHM CCOc1ccc(OCC(=O)Nc2nnc(-c3c(F)cccc3F)[n-]2)cc1 ZINC000478309339 501938356 /nfs/dbraw/zinc/93/83/56/501938356.db2.gz DNDLANYYXAZSQD-UHFFFAOYSA-N -1 3 374.347 3.166 20 0 FGADHM CCOc1ccc(OCC(=O)Nc2nc(-c3c(F)cccc3F)n[n-]2)cc1 ZINC000478309339 501938362 /nfs/dbraw/zinc/93/83/62/501938362.db2.gz DNDLANYYXAZSQD-UHFFFAOYSA-N -1 3 374.347 3.166 20 0 FGADHM CCOc1ccc(OCC(=O)Nc2n[n-]c(-c3c(F)cccc3F)n2)cc1 ZINC000478309339 501938366 /nfs/dbraw/zinc/93/83/66/501938366.db2.gz DNDLANYYXAZSQD-UHFFFAOYSA-N -1 3 374.347 3.166 20 0 FGADHM Cc1cccc(O[C@H](C)C(=O)Nc2nnc(-c3c(F)cccc3F)[n-]2)c1 ZINC000478315433 501939994 /nfs/dbraw/zinc/93/99/94/501939994.db2.gz PAYUNHLOWDUNJF-LLVKDONJSA-N -1 3 358.348 3.464 20 0 FGADHM Cc1cccc(O[C@H](C)C(=O)Nc2nc(-c3c(F)cccc3F)n[n-]2)c1 ZINC000478315433 501939998 /nfs/dbraw/zinc/93/99/98/501939998.db2.gz PAYUNHLOWDUNJF-LLVKDONJSA-N -1 3 358.348 3.464 20 0 FGADHM Cc1cccc(O[C@H](C)C(=O)Nc2n[n-]c(-c3c(F)cccc3F)n2)c1 ZINC000478315433 501940000 /nfs/dbraw/zinc/94/00/00/501940000.db2.gz PAYUNHLOWDUNJF-LLVKDONJSA-N -1 3 358.348 3.464 20 0 FGADHM O=C(Nc1nnc(-c2c(F)cccc2F)[n-]1)c1ccccc1-n1cccn1 ZINC000478315102 501940175 /nfs/dbraw/zinc/94/01/75/501940175.db2.gz PURYSFFRZCBMRC-UHFFFAOYSA-N -1 3 366.331 3.188 20 0 FGADHM O=C(Nc1nc(-c2c(F)cccc2F)n[n-]1)c1ccccc1-n1cccn1 ZINC000478315102 501940178 /nfs/dbraw/zinc/94/01/78/501940178.db2.gz PURYSFFRZCBMRC-UHFFFAOYSA-N -1 3 366.331 3.188 20 0 FGADHM O=C(Nc1n[n-]c(-c2c(F)cccc2F)n1)c1ccccc1-n1cccn1 ZINC000478315102 501940181 /nfs/dbraw/zinc/94/01/81/501940181.db2.gz PURYSFFRZCBMRC-UHFFFAOYSA-N -1 3 366.331 3.188 20 0 FGADHM COc1cc(C(=O)Nc2ccc(NC(C)=O)c(Cl)c2)cc(OC)c1[O-] ZINC000481997265 501941366 /nfs/dbraw/zinc/94/13/66/501941366.db2.gz IPLDOXCOKLCHOQ-UHFFFAOYSA-N -1 3 364.785 3.274 20 0 FGADHM Cc1cc2[nH]c(CN3CCN(C(=O)c4cccc([O-])c4)CC3)cc2c(C)c1 ZINC000482019455 501948458 /nfs/dbraw/zinc/94/84/58/501948458.db2.gz TXNUDOQINZMSME-UHFFFAOYSA-N -1 3 363.461 3.448 20 0 FGADHM CN(C)C(=O)c1ccc([N-]C(=O)c2cc(-c3cccc(Cl)c3)no2)nc1 ZINC000471192622 501951517 /nfs/dbraw/zinc/95/15/17/501951517.db2.gz XHHCKKNPMSFWEA-UHFFFAOYSA-N -1 3 370.796 3.344 20 0 FGADHM CC1(C)CCC[C@@H]1NC(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482043355 501955787 /nfs/dbraw/zinc/95/57/87/501955787.db2.gz DOQVHTDOANVCSV-LBPRGKRZSA-N -1 3 351.248 3.219 20 0 FGADHM CCc1ncc(S(=O)(=O)[N-]Cc2ccc(-c3csc(C)n3)o2)s1 ZINC000460957403 501970988 /nfs/dbraw/zinc/97/09/88/501970988.db2.gz FNIGTNPMKVIFLX-UHFFFAOYSA-N -1 3 369.493 3.209 20 0 FGADHM CC[C@H](NCc1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1)c1ccc(F)cc1F ZINC000482096822 501974243 /nfs/dbraw/zinc/97/42/43/501974243.db2.gz HIPBVYJLSKBAEL-PXNSSMCTSA-N -1 3 373.403 3.260 20 0 FGADHM COc1ccc(C2([N-]S(=O)(=O)c3c(F)cccc3Cl)CC2)cc1 ZINC000464421854 501985194 /nfs/dbraw/zinc/98/51/94/501985194.db2.gz OKRWCZBNUCOQCJ-UHFFFAOYSA-N -1 3 355.818 3.455 20 0 FGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)COc2cccc(Cl)c2)c1 ZINC000461037513 501995443 /nfs/dbraw/zinc/99/54/43/501995443.db2.gz JTCVMMBKWAEMFT-UHFFFAOYSA-N -1 3 368.842 3.037 20 0 FGADHM CC(C)(C)OC(=O)CCc1cccc(NC(=O)NCc2ncccc2[O-])c1 ZINC000471359541 501998583 /nfs/dbraw/zinc/99/85/83/501998583.db2.gz YENDYMYUKIEASH-UHFFFAOYSA-N -1 3 371.437 3.383 20 0 FGADHM C[C@@H]1CCCN(C(=O)C(=O)[N-]c2nc3ccccc3n2-c2ccccc2)C1 ZINC000471383506 502006013 /nfs/dbraw/zinc/00/60/13/502006013.db2.gz DCAVDVDVISBJCF-OAHLLOKOSA-N -1 3 362.433 3.223 20 0 FGADHM COc1cc(C(=O)Nc2ccc(Cl)c(NC(C)=O)c2)cc(OC)c1[O-] ZINC000485969829 502006725 /nfs/dbraw/zinc/00/67/25/502006725.db2.gz WFNWXMVIKSQQEZ-UHFFFAOYSA-N -1 3 364.785 3.274 20 0 FGADHM CCc1cc(=O)[n-]c(CN2CCN([C@@H](C)c3ccccc3Cl)CC2)n1 ZINC000468267289 502011595 /nfs/dbraw/zinc/01/15/95/502011595.db2.gz AFMMKIKOYWCMRH-AWEZNQCLSA-N -1 3 360.889 3.277 20 0 FGADHM O=C(C[C@@H](c1ccccc1)C(F)(F)F)NCc1nnc(C(F)(F)F)[n-]1 ZINC000482241043 502017838 /nfs/dbraw/zinc/01/78/38/502017838.db2.gz QZNDXUZEGMGMGF-VIFPVBQESA-N -1 3 366.265 3.176 20 0 FGADHM O=C(C[C@@H](c1ccccc1)C(F)(F)F)NCc1n[n-]c(C(F)(F)F)n1 ZINC000482241043 502017843 /nfs/dbraw/zinc/01/78/43/502017843.db2.gz QZNDXUZEGMGMGF-VIFPVBQESA-N -1 3 366.265 3.176 20 0 FGADHM O=C(C[C@@H](c1ccccc1)C(F)(F)F)NCc1nc(C(F)(F)F)n[n-]1 ZINC000482241043 502017846 /nfs/dbraw/zinc/01/78/46/502017846.db2.gz QZNDXUZEGMGMGF-VIFPVBQESA-N -1 3 366.265 3.176 20 0 FGADHM C[C@H](CC(=O)Nc1ccccc1[N-]S(C)(=O)=O)c1ccccc1F ZINC000588635660 506288971 /nfs/dbraw/zinc/28/89/71/506288971.db2.gz WUWGRCCJASIPKX-GFCCVEGCSA-N -1 3 350.415 3.330 20 0 FGADHM COc1cccc2c(C(=O)Nc3ccc(NC(C)=O)cc3Cl)[n-]nc21 ZINC000486089877 502042671 /nfs/dbraw/zinc/04/26/71/502042671.db2.gz PHSVRHSQTUXHRL-UHFFFAOYSA-N -1 3 358.785 3.436 20 0 FGADHM COc1cccc2c(C(=O)Nc3ccc(NC(C)=O)cc3Cl)n[n-]c21 ZINC000486089877 502042675 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CCC(CC)(CNC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)c1ccccc1 ZINC000464686933 502063613 /nfs/dbraw/zinc/06/36/13/502063613.db2.gz NRPXXWSACUGXHI-UHFFFAOYSA-N -1 3 350.418 3.058 20 0 FGADHM Cc1cc(C)cc(C[C@@H](C)NC(=O)c2ccc([N-]S(C)(=O)=O)cc2)c1 ZINC000461291344 502065247 /nfs/dbraw/zinc/06/52/47/502065247.db2.gz GXCYUVFKNQYXSS-OAHLLOKOSA-N -1 3 360.479 3.036 20 0 FGADHM CC(C)CC1(CNC(=O)N2CCN(C(=O)c3cccc([O-])c3)CC2)CCC1 ZINC000464751768 502082623 /nfs/dbraw/zinc/08/26/23/502082623.db2.gz BBPHHVMCDOOHTP-UHFFFAOYSA-N -1 3 373.497 3.076 20 0 FGADHM O=C(NCc1cccnc1Oc1cccc(F)c1)NCc1ncccc1[O-] ZINC000471614144 502087662 /nfs/dbraw/zinc/08/76/62/502087662.db2.gz ZWDDHGJWUZPGPT-UHFFFAOYSA-N -1 3 368.368 3.113 20 0 FGADHM COc1cc(C(=O)N2CCN(Cc3ccc(Cl)s3)CC2)ccc1[O-] ZINC000464784563 502094484 /nfs/dbraw/zinc/09/44/84/502094484.db2.gz YXCDCTVRNYFYSK-UHFFFAOYSA-N -1 3 366.870 3.074 20 0 FGADHM Cc1cccc(NC(=O)c2cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c2)n1 ZINC000471750423 502127225 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COc1ccc([C@H](NC(=O)NCc2nc(C(F)(F)F)n[n-]2)C(C)C)cc1 ZINC000482642472 502137285 /nfs/dbraw/zinc/13/72/85/502137285.db2.gz BXMCAJZMXNDZMZ-CYBMUJFWSA-N -1 3 371.363 3.029 20 0 FGADHM COc1ccccc1-c1nc(NC(=O)[C@@H](C)COc2ccccc2)n[n-]1 ZINC000471795709 502138689 /nfs/dbraw/zinc/13/86/89/502138689.db2.gz APSPHDYDVFOZLR-ZDUSSCGKSA-N -1 3 352.394 3.134 20 0 FGADHM O=C(NCc1ncccc1[O-])NCC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000471825526 502147006 /nfs/dbraw/zinc/14/70/06/502147006.db2.gz UIJKXJYZNNQGDH-UHFFFAOYSA-N -1 3 365.355 3.337 20 0 FGADHM CC(C)[C@@H](CC1CCCC1)C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C ZINC000461612386 502153847 /nfs/dbraw/zinc/15/38/47/502153847.db2.gz VUNSBXQMXWQDAW-CQSZACIVSA-N -1 3 359.470 3.374 20 0 FGADHM C[C@@H]1CCc2sc(C(=O)Nc3cc4c(cc3[O-])n(C)c(=O)n4C)cc2C1 ZINC000461615889 502154868 /nfs/dbraw/zinc/15/48/68/502154868.db2.gz VBNZJDVXZVPYHI-SNVBAGLBSA-N -1 3 371.462 3.021 20 0 FGADHM CC[C@H](C)[C@@H](C)NC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000471865405 502159712 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FXVLJMWMUBNYAT-QMMMGPOBSA-N -1 3 360.361 3.213 20 0 FGADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]C[C@@H]1CCC[C@@H]1C ZINC000461849821 502214777 /nfs/dbraw/zinc/21/47/77/502214777.db2.gz KUNOZIOIXYYJFJ-RYUDHWBXSA-N -1 3 367.492 3.402 20 0 FGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)c2cccc(Cl)c2)s1 ZINC000486639016 502217324 /nfs/dbraw/zinc/21/73/24/502217324.db2.gz UIOZRHHGMKAYTQ-SECBINFHSA-N -1 3 359.856 3.228 20 0 FGADHM CCOc1nc2ccc(C(=O)Nc3cc(NC(C)=O)ccc3OC)cc2[n-]1 ZINC000468897034 502221824 /nfs/dbraw/zinc/22/18/24/502221824.db2.gz JVXRYKDFKUPZSI-UHFFFAOYSA-N -1 3 368.393 3.181 20 0 FGADHM CCOc1nc2cc(C(=O)Nc3cc(NC(C)=O)ccc3OC)ccc2[n-]1 ZINC000468897034 502221829 /nfs/dbraw/zinc/22/18/29/502221829.db2.gz JVXRYKDFKUPZSI-UHFFFAOYSA-N -1 3 368.393 3.181 20 0 FGADHM CCc1cc(C(=O)NCCOc2ncc(Cl)cc2Cl)ccc1[O-] ZINC000486680935 502229411 /nfs/dbraw/zinc/22/94/11/502229411.db2.gz MNHNPMHDCYXDEK-UHFFFAOYSA-N -1 3 355.221 3.465 20 0 FGADHM O=C(CCCc1ccc([O-])c(F)c1)NCc1ccccc1-n1cccn1 ZINC000468922906 502231931 /nfs/dbraw/zinc/23/19/31/502231931.db2.gz KQOXMRNYVWJQLK-UHFFFAOYSA-N -1 3 353.397 3.356 20 0 FGADHM C[C@H](Cc1ccccc1C(F)(F)F)NC(=O)NCc1ncccc1[O-] ZINC000472114602 502237629 /nfs/dbraw/zinc/23/76/29/502237629.db2.gz GIHOWHXVPGMKPQ-LLVKDONJSA-N -1 3 353.344 3.236 20 0 FGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@@H](CCO)c1ccco1 ZINC000468980905 502251492 /nfs/dbraw/zinc/25/14/92/502251492.db2.gz PBHJJFPSMYVHSS-ZDUSSCGKSA-N -1 3 369.826 3.390 20 0 FGADHM O=C([N-]c1n[nH]c(-c2ccccc2Cl)n1)c1cc2nccnc2cc1F ZINC000472161469 502254264 /nfs/dbraw/zinc/25/42/64/502254264.db2.gz VYELNPMJQBBSLJ-UHFFFAOYSA-N -1 3 368.759 3.460 20 0 FGADHM CN(Cc1cc2ccccc2o1)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000472169661 502256542 /nfs/dbraw/zinc/25/65/42/502256542.db2.gz AUAJLUDIHBPYMC-UHFFFAOYSA-N -1 3 358.419 3.077 20 0 FGADHM CC[C@@H](NC(=O)NCc1nnc(C(F)(F)F)[n-]1)c1ccc(Cl)s1 ZINC000483054157 502258376 /nfs/dbraw/zinc/25/83/76/502258376.db2.gz QWAMFMNLNTYLMY-ZCFIWIBFSA-N -1 3 367.784 3.489 20 0 FGADHM 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CCCCc1nc(C(=O)OCC)c(NC(=O)C[C@@H]2CCC[C@@H](OC)C2)[n-]1 ZINC000484075750 502563007 /nfs/dbraw/zinc/56/30/07/502563007.db2.gz SACDWMXIWAEHQE-ZIAGYGMSSA-N -1 3 365.474 3.463 20 0 FGADHM CCCCc1nc(NC(=O)C[C@@H]2CCC[C@@H](OC)C2)c(C(=O)OCC)[n-]1 ZINC000484075750 502563010 /nfs/dbraw/zinc/56/30/10/502563010.db2.gz SACDWMXIWAEHQE-ZIAGYGMSSA-N -1 3 365.474 3.463 20 0 FGADHM Cc1ccc(CS(=O)(=O)[N-]C[C@@H]2CSc3ccccc3O2)c(F)c1 ZINC000582603839 506321091 /nfs/dbraw/zinc/32/10/91/506321091.db2.gz XYYCAIZPXYWRIF-CQSZACIVSA-N -1 3 367.467 3.107 20 0 FGADHM O=C(C[C@H](c1cccs1)n1cccc1)Nc1nnc(-c2ccccn2)[n-]1 ZINC000473324444 502566600 /nfs/dbraw/zinc/56/66/00/502566600.db2.gz IVTYKIATDLTDHS-CQSZACIVSA-N -1 3 364.434 3.348 20 0 FGADHM O=C(C[C@H](c1cccs1)n1cccc1)Nc1nc(-c2ccccn2)n[n-]1 ZINC000473324444 502566603 /nfs/dbraw/zinc/56/66/03/502566603.db2.gz IVTYKIATDLTDHS-CQSZACIVSA-N -1 3 364.434 3.348 20 0 FGADHM O=C(C[C@H](c1cccs1)n1cccc1)Nc1n[n-]c(-c2ccccn2)n1 ZINC000473324444 502566607 /nfs/dbraw/zinc/56/66/07/502566607.db2.gz IVTYKIATDLTDHS-CQSZACIVSA-N -1 3 364.434 3.348 20 0 FGADHM CCCN(C[C@@H]1CCCCO1)C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000484139163 502580359 /nfs/dbraw/zinc/58/03/59/502580359.db2.gz XNXMRBSGAKHLHR-ZDUSSCGKSA-N -1 3 364.392 3.228 20 0 FGADHM COCCOc1cccc(CCC(=O)N=c2cc(-c3ccccc3)[n-][nH]2)c1 ZINC000476766674 502581269 /nfs/dbraw/zinc/58/12/69/502581269.db2.gz SXEAHVNZAUCFGD-UHFFFAOYSA-N -1 3 365.433 3.095 20 0 FGADHM CC(C)CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000473402289 502585777 /nfs/dbraw/zinc/58/57/77/502585777.db2.gz QRUQMGOGLVUNTI-CABCVRRESA-N -1 3 372.556 3.232 20 0 FGADHM C[C@H](NC(=O)NCc1nnc(C(F)(F)F)[n-]1)c1cc2ccccc2o1 ZINC000466496753 502586946 /nfs/dbraw/zinc/58/69/46/502586946.db2.gz VKTIJWOJQBUKIL-QMMMGPOBSA-N -1 3 353.304 3.130 20 0 FGADHM C[C@H](NC(=O)NCc1n[n-]c(C(F)(F)F)n1)c1cc2ccccc2o1 ZINC000466496753 502586952 /nfs/dbraw/zinc/58/69/52/502586952.db2.gz VKTIJWOJQBUKIL-QMMMGPOBSA-N -1 3 353.304 3.130 20 0 FGADHM C[C@H](NC(=O)NCc1nc(C(F)(F)F)n[n-]1)c1cc2ccccc2o1 ZINC000466496753 502586958 /nfs/dbraw/zinc/58/69/58/502586958.db2.gz VKTIJWOJQBUKIL-QMMMGPOBSA-N -1 3 353.304 3.130 20 0 FGADHM Nc1c(=O)[n-]c(=O)[nH]c1C(=O)Nc1cccc(CSC2CCCCC2)c1 ZINC000469920387 502597074 /nfs/dbraw/zinc/59/70/74/502597074.db2.gz ZQCOQTCJAZWVLD-UHFFFAOYSA-N -1 3 374.466 3.288 20 0 FGADHM O=C(Cc1ccc(Br)cc1[O-])Nc1ccccc1-c1nc[nH]n1 ZINC000488006952 502598003 /nfs/dbraw/zinc/59/80/03/502598003.db2.gz BEPURTRBYQJOTH-UHFFFAOYSA-N -1 3 373.210 3.121 20 0 FGADHM CC[C@@H](c1ccncc1)N(C)C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000484198717 502598244 /nfs/dbraw/zinc/59/82/44/502598244.db2.gz GLPVWWHNKQZZDL-INIZCTEOSA-N -1 3 357.360 3.425 20 0 FGADHM COc1ccc2c(c1)[n-]cc(C(=O)N1CCn3c(cc4ccccc43)C1)c2=O ZINC000462852020 502600238 /nfs/dbraw/zinc/60/02/38/502600238.db2.gz JWDOQCGAMCSVSO-UHFFFAOYSA-N -1 3 373.412 3.147 20 0 FGADHM Cc1ccc(-c2nnc([N-]C(=O)c3ccnc4c3ncn4C)s2)c(C)c1 ZINC000488017206 502601008 /nfs/dbraw/zinc/60/10/08/502601008.db2.gz XMCAHSMBSFYWQL-UHFFFAOYSA-N -1 3 364.434 3.356 20 0 FGADHM C[C@H](C(=O)Nc1ccc([O-])cc1F)[C@H](C)C(=O)Nc1ccc(O)cc1F ZINC000480572624 502607879 /nfs/dbraw/zinc/60/78/79/502607879.db2.gz DXGBVRADHWFSDQ-UWVGGRQHSA-N -1 3 364.348 3.225 20 0 FGADHM COCCC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1c(C)cccc1F ZINC000480587306 502611869 /nfs/dbraw/zinc/61/18/69/502611869.db2.gz KYSBYPWAGRXWGA-KRWDZBQOSA-N -1 3 365.470 3.450 20 0 FGADHM CC(C)C[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000462905378 502621394 /nfs/dbraw/zinc/62/13/94/502621394.db2.gz YFSWSLVRVACNPM-LLVKDONJSA-N -1 3 366.405 3.148 20 0 FGADHM CCCn1c(=O)[n-]nc1SCCOc1ccc(OC(F)(F)F)cc1 ZINC000466621052 502625059 /nfs/dbraw/zinc/62/50/59/502625059.db2.gz PNOZRFGLUPYSEF-UHFFFAOYSA-N -1 3 363.361 3.463 20 0 FGADHM C[C@@H]1[C@H](C(=O)Nc2n[n-]c(-c3ccccc3F)n2)CCN1c1ccccc1 ZINC000476961668 502633927 /nfs/dbraw/zinc/63/39/27/502633927.db2.gz RLLJQPMIHRQLKK-UKRRQHHQSA-N -1 3 365.412 3.464 20 0 FGADHM 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ZINC000473859441 502729015 /nfs/dbraw/zinc/72/90/15/502729015.db2.gz UOOLGUIIOVDQMB-SFHVURJKSA-N -1 3 365.437 3.046 20 0 FGADHM COc1cc(NC(=O)Cc2ccc(Br)cc2[O-])cc(OC)c1 ZINC000477299697 502733906 /nfs/dbraw/zinc/73/39/06/502733906.db2.gz FXQFUHYINLKLAP-UHFFFAOYSA-N -1 3 366.211 3.353 20 0 FGADHM COc1ccc(S(=O)(=O)[N-][C@@H]2CCCSC2)c(Cl)c1Cl ZINC000484765877 502735306 /nfs/dbraw/zinc/73/53/06/502735306.db2.gz BUDDVPXYPSPAGO-MRVPVSSYSA-N -1 3 356.296 3.176 20 0 FGADHM CN(CC[N-]S(=O)(=O)c1cc(F)ccc1Cl)Cc1ccc(F)cc1 ZINC000484772887 502736630 /nfs/dbraw/zinc/73/66/30/502736630.db2.gz YFRWXNPQHRRMTL-UHFFFAOYSA-N -1 3 374.840 3.029 20 0 FGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCCc3c[nH]nc32)c1Cl ZINC000481068479 502746633 /nfs/dbraw/zinc/74/66/33/502746633.db2.gz BTRVDFNTHGRASY-LLVKDONJSA-N -1 3 360.266 3.381 20 0 FGADHM O=C(NCc1ccc([O-])c(Br)c1)[C@@H]1Cc2ccccc2S1 ZINC000488669368 502777914 /nfs/dbraw/zinc/77/79/14/502777914.db2.gz FDTRBSDMVJGAHL-HNNXBMFYSA-N -1 3 364.264 3.488 20 0 FGADHM Cc1cccc(F)c1S(=O)(=O)[N-][C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1 ZINC000481219974 502788214 /nfs/dbraw/zinc/78/82/14/502788214.db2.gz QJOCCYXZYXTTEU-FUHWJXTLSA-N -1 3 371.437 3.154 20 0 FGADHM CCn1cnc(S(=O)(=O)[N-][C@H](C)c2cc(F)c(Cl)cc2Cl)c1 ZINC000474048621 502790284 /nfs/dbraw/zinc/79/02/84/502790284.db2.gz SIUMUCRDSYFFPF-MRVPVSSYSA-N -1 3 366.245 3.388 20 0 FGADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)Nc1ccc(F)cc1OCC1CC1 ZINC000481232575 502791074 /nfs/dbraw/zinc/79/10/74/502791074.db2.gz OEOHOTDUZAPYJW-UHFFFAOYSA-N -1 3 373.310 3.073 20 0 FGADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)Nc1ccc(F)cc1OCC1CC1 ZINC000481232575 502791080 /nfs/dbraw/zinc/79/10/80/502791080.db2.gz OEOHOTDUZAPYJW-UHFFFAOYSA-N -1 3 373.310 3.073 20 0 FGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)Nc1ccc(F)cc1OCC1CC1 ZINC000481232575 502791084 /nfs/dbraw/zinc/79/10/84/502791084.db2.gz OEOHOTDUZAPYJW-UHFFFAOYSA-N -1 3 373.310 3.073 20 0 FGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@H](CO)CC1CCC1 ZINC000481235000 502791807 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COC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1C[C@H](C)[C@@H]1c1ccccc1 ZINC000499061950 503323905 /nfs/dbraw/zinc/32/39/05/503323905.db2.gz DKJSRAOUANPYII-XHDPSFHLSA-N -1 3 372.446 3.001 20 0 FGADHM COc1ccc(CN(Cc2ccccc2)C(=O)c2cc(C)nc(=O)[n-]2)cc1 ZINC000491649596 503325778 /nfs/dbraw/zinc/32/57/78/503325778.db2.gz XKAIXCBBDBFVSN-UHFFFAOYSA-N -1 3 363.417 3.342 20 0 FGADHM CCCCC[C@H]1CCCN1C(=O)C(=O)[N-]c1sccc1C(=O)OC ZINC000492061223 503346644 /nfs/dbraw/zinc/34/66/44/503346644.db2.gz KUCQWPOEYASPLR-LBPRGKRZSA-N -1 3 352.456 3.045 20 0 FGADHM Cc1cc([N-]S(=O)(=O)c2ccc(OCc3ccccc3)cc2)ccn1 ZINC000492085617 503347702 /nfs/dbraw/zinc/34/77/02/503347702.db2.gz YMMFSFOYSLAULI-UHFFFAOYSA-N -1 3 354.431 3.192 20 0 FGADHM COC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Br)C(C)C ZINC000515503323 503353129 /nfs/dbraw/zinc/35/31/29/503353129.db2.gz YIVNOUKWJMSEDZ-LLVKDONJSA-N -1 3 370.696 3.052 20 0 FGADHM Cc1cc(OCC(=O)N=c2cc(-c3cccnc3)[n-][nH]2)ccc1C(C)C ZINC000492224069 503359028 /nfs/dbraw/zinc/35/90/28/503359028.db2.gz MGMADNWPFRDWQM-UHFFFAOYSA-N -1 3 350.422 3.343 20 0 FGADHM O=C(Nc1cccc(OCc2cccnc2)c1)c1cc(F)cc2[n-]nnc21 ZINC000503187974 503363626 /nfs/dbraw/zinc/36/36/26/503363626.db2.gz GKBBDYJJETVPPH-UHFFFAOYSA-N -1 3 363.352 3.323 20 0 FGADHM O=C(Nc1cccc(OCc2cccnc2)c1)c1cc(F)cc2nn[n-]c21 ZINC000503187974 503363629 /nfs/dbraw/zinc/36/36/29/503363629.db2.gz GKBBDYJJETVPPH-UHFFFAOYSA-N -1 3 363.352 3.323 20 0 FGADHM O=C(Nc1cccc(OCc2cccnc2)c1)c1cc(F)cc2n[n-]nc21 ZINC000503187974 503363632 /nfs/dbraw/zinc/36/36/32/503363632.db2.gz GKBBDYJJETVPPH-UHFFFAOYSA-N -1 3 363.352 3.323 20 0 FGADHM CC(C)(C)CCOc1cnccc1CNC(=O)c1cc(F)cc2nn[n-]c21 ZINC000492511965 503372608 /nfs/dbraw/zinc/37/26/08/503372608.db2.gz JRVHGQFNKNKTHS-UHFFFAOYSA-N -1 3 371.416 3.237 20 0 FGADHM CC(C)(C)CCOc1cnccc1CNC(=O)c1cc(F)cc2[n-]nnc21 ZINC000492511965 503372612 /nfs/dbraw/zinc/37/26/12/503372612.db2.gz JRVHGQFNKNKTHS-UHFFFAOYSA-N -1 3 371.416 3.237 20 0 FGADHM CC(C)(C)CCOc1cnccc1CNC(=O)c1cc(F)cc2n[n-]nc21 ZINC000492511965 503372615 /nfs/dbraw/zinc/37/26/15/503372615.db2.gz JRVHGQFNKNKTHS-UHFFFAOYSA-N -1 3 371.416 3.237 20 0 FGADHM CC(C)(C)Oc1cccc(C[N-]S(=O)(=O)c2ccc(Cl)s2)n1 ZINC000503236600 503374487 /nfs/dbraw/zinc/37/44/87/503374487.db2.gz NYHMLXGNFCUJIP-UHFFFAOYSA-N -1 3 360.888 3.452 20 0 FGADHM CN(Cc1ccccc1)[C@@H](CN=c1nc(C(F)(F)F)[n-]s1)C1CC1 ZINC000515624749 503375825 /nfs/dbraw/zinc/37/58/25/503375825.db2.gz HZQXRCHMGRLPTM-ZDUSSCGKSA-N -1 3 356.417 3.301 20 0 FGADHM CN(Cc1ccccc1)[C@@H](CN=c1[n-]c(C(F)(F)F)ns1)C1CC1 ZINC000515624749 503375830 /nfs/dbraw/zinc/37/58/30/503375830.db2.gz HZQXRCHMGRLPTM-ZDUSSCGKSA-N -1 3 356.417 3.301 20 0 FGADHM COCCSc1ccc([C@H](C)NC(=O)c2cc(F)cc3nn[n-]c32)cc1 ZINC000503293452 503385378 /nfs/dbraw/zinc/38/53/78/503385378.db2.gz YDNLAPQQTRRKHK-NSHDSACASA-N -1 3 374.441 3.327 20 0 FGADHM COCCSc1ccc([C@H](C)NC(=O)c2cc(F)cc3[n-]nnc32)cc1 ZINC000503293452 503385380 /nfs/dbraw/zinc/38/53/80/503385380.db2.gz YDNLAPQQTRRKHK-NSHDSACASA-N -1 3 374.441 3.327 20 0 FGADHM COCCSc1ccc([C@H](C)NC(=O)c2cc(F)cc3n[n-]nc32)cc1 ZINC000503293452 503385383 /nfs/dbraw/zinc/38/53/83/503385383.db2.gz YDNLAPQQTRRKHK-NSHDSACASA-N -1 3 374.441 3.327 20 0 FGADHM CC[C@@H](NCC[N-]S(=O)(=O)c1ccc(Cl)s1)c1ccccc1 ZINC000507877530 503385974 /nfs/dbraw/zinc/38/59/74/503385974.db2.gz DKZOUQQYVPXFHX-CYBMUJFWSA-N -1 3 358.916 3.421 20 0 FGADHM COc1ccc(Br)c(S(=O)(=O)[N-][C@H]2CCC(C)(C)C2)c1 ZINC000507886306 503387780 /nfs/dbraw/zinc/38/77/80/503387780.db2.gz GZJQLWBUQFCWES-JTQLQIEISA-N -1 3 362.289 3.315 20 0 FGADHM Cc1cc(N)nc(SCc2nc(=O)c3c(-c4ccco4)csc3[n-]2)n1 ZINC000499377544 503391575 /nfs/dbraw/zinc/39/15/75/503391575.db2.gz IKIZMXBJXXRWRJ-UHFFFAOYSA-N -1 3 371.447 3.460 20 0 FGADHM CCN1CCC[C@@H]1C[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000515730709 503392690 /nfs/dbraw/zinc/39/26/90/503392690.db2.gz MPFVWVXMVRFXEG-LLVKDONJSA-N -1 3 351.299 3.064 20 0 FGADHM COCCc1ccccc1[N-]S(=O)(=O)Cc1cc(C(C)(C)C)on1 ZINC000507933394 503399073 /nfs/dbraw/zinc/39/90/73/503399073.db2.gz BPSVHTFCVVMJTF-UHFFFAOYSA-N -1 3 352.456 3.103 20 0 FGADHM O=C(Nc1ccc(F)cc1)N[C@H]1CCN(Cc2c(F)ccc([O-])c2F)C1 ZINC000507941214 503401555 /nfs/dbraw/zinc/40/15/55/503401555.db2.gz WZGSMMZRLMKJEM-ZDUSSCGKSA-N -1 3 365.355 3.206 20 0 FGADHM C[C@@H]1CCN(C(=O)c2ccc([N-]S(C)(=O)=O)cc2)[C@@H]2CCCC[C@@H]12 ZINC000515826617 503407704 /nfs/dbraw/zinc/40/77/04/503407704.db2.gz UNFHDFJHSSHDCX-XOKHGSTOSA-N -1 3 350.484 3.099 20 0 FGADHM COC(=O)c1cc(C(=O)Nc2cccc(-c3ncc4n3CCCC4)c2)c[n-]1 ZINC000508001339 503411013 /nfs/dbraw/zinc/41/10/13/503411013.db2.gz VHCZUXCGPBEHKH-UHFFFAOYSA-N -1 3 364.405 3.253 20 0 FGADHM Cc1cccc(C)c1OCCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000511944577 503421335 /nfs/dbraw/zinc/42/13/35/503421335.db2.gz YEEVXPIEVZGRSG-UHFFFAOYSA-N -1 3 355.406 3.329 20 0 FGADHM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)c(C)c2C)c(F)c1 ZINC000508081784 503426745 /nfs/dbraw/zinc/42/67/45/503426745.db2.gz DWXGUQYZLCYYAZ-UHFFFAOYSA-N -1 3 367.398 3.039 20 0 FGADHM Cc1ccc2oc(C(=O)Nc3cccc([C@]4(C)NC(=O)[N-]C4=O)c3)cc2c1 ZINC000515994954 503430339 /nfs/dbraw/zinc/43/03/39/503430339.db2.gz SVHDXXKWAMQSDQ-FQEVSTJZSA-N -1 3 363.373 3.048 20 0 FGADHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2OCCC2CC2)CCO1 ZINC000493571763 503434602 /nfs/dbraw/zinc/43/46/02/503434602.db2.gz IGUZJEBYOHLENR-DOMZBBRYSA-N -1 3 373.902 3.365 20 0 FGADHM CC(C)c1ccc([C@H]([N-]S(=O)(=O)C2COC2)c2cccs2)cc1 ZINC000493663847 503438433 /nfs/dbraw/zinc/43/84/33/503438433.db2.gz XMUWAFFMEQWDSB-KRWDZBQOSA-N -1 3 351.493 3.279 20 0 FGADHM Cc1cc(C)c2ncc(C(=O)[O-])c(N[C@H]3CCN(CC(F)(F)F)C3)c2c1 ZINC000516070961 503440697 /nfs/dbraw/zinc/44/06/97/503440697.db2.gz XNGJMTJSTREJIO-LBPRGKRZSA-N -1 3 367.371 3.020 20 0 FGADHM CCOC(=O)c1cc(S(=O)(=O)[N-]c2c(C)cccc2F)ccc1C ZINC000508203696 503452522 /nfs/dbraw/zinc/45/25/22/503452522.db2.gz BAFSPPKASXHJEA-UHFFFAOYSA-N -1 3 351.399 3.420 20 0 FGADHM CC(C)(COCc1ccccc1)[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000499690730 503458309 /nfs/dbraw/zinc/45/83/09/503458309.db2.gz BMRLADOTZGGUAN-UHFFFAOYSA-N -1 3 373.396 3.378 20 0 FGADHM COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCC[C@H]1C ZINC000499700947 503461119 /nfs/dbraw/zinc/46/11/19/503461119.db2.gz ASYWCCQLTDOTQX-TZMCWYRMSA-N -1 3 361.891 3.222 20 0 FGADHM COc1cc(F)c(S(=O)(=O)[N-]CC[C@@H]2CCCC[C@H]2C)cc1OC ZINC000512143368 503469106 /nfs/dbraw/zinc/46/91/06/503469106.db2.gz QLMIFRKHEDDREK-OLZOCXBDSA-N -1 3 359.463 3.338 20 0 FGADHM Cc1ccc(F)c(C(=O)[N-]c2ccccc2SCCC(N)=O)c1F ZINC000499730342 503469321 /nfs/dbraw/zinc/46/93/21/503469321.db2.gz HWXDYWSIMVVWEO-UHFFFAOYSA-N -1 3 350.390 3.493 20 0 FGADHM Cc1ncc(S(=O)(=O)[N-][C@@H](C)Cc2ccccc2C(F)(F)F)s1 ZINC000503825377 503475721 /nfs/dbraw/zinc/47/57/21/503475721.db2.gz KFJUXGOKHKIGLB-VIFPVBQESA-N -1 3 364.414 3.380 20 0 FGADHM COC(=O)[C@](C)(CNC(=O)c1cc([O-])ccc1Cl)c1ccc(F)cc1 ZINC000508354913 503481363 /nfs/dbraw/zinc/48/13/63/503481363.db2.gz OLEFCHWBXGPLGS-GOSISDBHSA-N -1 3 365.788 3.045 20 0 FGADHM C[C@H]1[C@@H](NC(=O)c2cc(F)c(F)c([O-])c2F)CCN1Cc1ccccc1 ZINC000494076662 503484205 /nfs/dbraw/zinc/48/42/05/503484205.db2.gz CVJAGIXGCHOSAH-NHYWBVRUSA-N -1 3 364.367 3.202 20 0 FGADHM COC(=O)c1csc(S(=O)(=O)[N-]CCCc2ccc(Cl)cc2)c1 ZINC000503985094 503504727 /nfs/dbraw/zinc/50/47/27/503504727.db2.gz HAIOUVFMWURMGZ-UHFFFAOYSA-N -1 3 373.883 3.099 20 0 FGADHM C[C@H](NC(=O)c1cc(F)cc2nn[n-]c21)c1ccc(Br)cc1 ZINC000499905660 503508025 /nfs/dbraw/zinc/50/80/25/503508025.db2.gz DDWOEUXXOHWHKE-QMMMGPOBSA-N -1 3 363.190 3.351 20 0 FGADHM C[C@H](NC(=O)c1cc(F)cc2[n-]nnc21)c1ccc(Br)cc1 ZINC000499905660 503508028 /nfs/dbraw/zinc/50/80/28/503508028.db2.gz DDWOEUXXOHWHKE-QMMMGPOBSA-N -1 3 363.190 3.351 20 0 FGADHM C[C@H](NC(=O)c1cc(F)cc2n[n-]nc21)c1ccc(Br)cc1 ZINC000499905660 503508030 /nfs/dbraw/zinc/50/80/30/503508030.db2.gz DDWOEUXXOHWHKE-QMMMGPOBSA-N -1 3 363.190 3.351 20 0 FGADHM C[C@H](COc1ccc(C(C)(C)C)cc1)[N-]S(=O)(=O)c1cncc(F)c1 ZINC000588905688 506376289 /nfs/dbraw/zinc/37/62/89/506376289.db2.gz ZNJJMOPNRVLVRH-CYBMUJFWSA-N -1 3 366.458 3.264 20 0 FGADHM O=C(CCCOc1ccc(Cl)cc1)N=c1cc(-c2ccncc2)[n-][nH]1 ZINC000512312070 503517075 /nfs/dbraw/zinc/51/70/75/503517075.db2.gz GHMBRASPTTUYSF-UHFFFAOYSA-N -1 3 356.813 3.345 20 0 FGADHM NC(=O)c1ccc(C(=O)[N-]c2n[nH]c(-c3cccc4ccccc43)n2)s1 ZINC000504071370 503517437 /nfs/dbraw/zinc/51/74/37/503517437.db2.gz BLCCQZRGXRLCOR-UHFFFAOYSA-N -1 3 363.402 3.038 20 0 FGADHM Cc1cc(C(=O)NCc2ccc(NC(=O)c3cccnc3)cc2)ccc1[O-] ZINC000499957225 503521970 /nfs/dbraw/zinc/52/19/70/503521970.db2.gz WQOZFBOKVIBHBU-UHFFFAOYSA-N -1 3 361.401 3.278 20 0 FGADHM O=C(CCCC(=O)c1ccc2c(c1)OCCO2)Nc1cc(F)ccc1[O-] ZINC000499974727 503525906 /nfs/dbraw/zinc/52/59/06/503525906.db2.gz FNIOMTINSWCHRO-UHFFFAOYSA-N -1 3 359.353 3.294 20 0 FGADHM CC1(C)CC[C@@H](C[N-]S(=O)(=O)Cc2c(Cl)cccc2Cl)O1 ZINC000494325656 503526040 /nfs/dbraw/zinc/52/60/40/503526040.db2.gz FFQXUJFOOIZFTP-JTQLQIEISA-N -1 3 352.283 3.370 20 0 FGADHM CCCc1ncc(C[N-]S(=O)(=O)c2ccc3c(cnn3C(C)C)c2)o1 ZINC000516540123 503530655 /nfs/dbraw/zinc/53/06/55/503530655.db2.gz HGFLBKLGLDJBRE-UHFFFAOYSA-N -1 3 362.455 3.036 20 0 FGADHM Cc1cc(C(=O)N2CCC(n3cc(Br)cn3)CC2)ccc1[O-] ZINC000500021378 503534831 /nfs/dbraw/zinc/53/48/31/503534831.db2.gz WRAYRQHJVACLHY-UHFFFAOYSA-N -1 3 364.243 3.137 20 0 FGADHM Cc1ccc(CC[N-]S(=O)(=O)c2sc(C)cc2Br)o1 ZINC000608020225 506379147 /nfs/dbraw/zinc/37/91/47/506379147.db2.gz FLYDPLYHNWSBCY-UHFFFAOYSA-N -1 3 364.286 3.241 20 0 FGADHM O=C(Nc1ncn(C2CCCCC2)n1)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000504382639 503565268 /nfs/dbraw/zinc/56/52/68/503565268.db2.gz QHTFYHUUHBJQNH-UHFFFAOYSA-N -1 3 373.363 3.155 20 0 FGADHM O=C(Nc1ncn(C2CCCCC2)n1)c1cnc2c(F)cc(F)cc2c1[O-] ZINC000504382639 503565271 /nfs/dbraw/zinc/56/52/71/503565271.db2.gz QHTFYHUUHBJQNH-UHFFFAOYSA-N -1 3 373.363 3.155 20 0 FGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@@H]1CCC[C@H]1CCO ZINC000494580683 503568290 /nfs/dbraw/zinc/56/82/90/503568290.db2.gz UNNSNLYWSWDTLM-SMDDNHRTSA-N -1 3 357.859 3.224 20 0 FGADHM CCN1CCC[C@H]1C[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000508880245 503586798 /nfs/dbraw/zinc/58/67/98/503586798.db2.gz TZLVZDNUHFGKMA-NSHDSACASA-N -1 3 370.824 3.121 20 0 FGADHM O=C(NCc1ccsc1Br)NCc1ccc([O-])c(F)c1 ZINC000512638995 503600865 /nfs/dbraw/zinc/60/08/65/503600865.db2.gz CAIVZWCWWJAFRR-UHFFFAOYSA-N -1 3 359.220 3.355 20 0 FGADHM Cc1ncc(CNC(=O)NCc2ccc(-c3ccccc3)cc2F)c(=O)[n-]1 ZINC000494777751 503609384 /nfs/dbraw/zinc/60/93/84/503609384.db2.gz MDMHPSBQJJQFHG-UHFFFAOYSA-N -1 3 366.396 3.296 20 0 FGADHM O=S(=O)([N-]CCc1ccsc1)c1csc(-c2ccccc2)n1 ZINC000500448029 503626895 /nfs/dbraw/zinc/62/68/95/503626895.db2.gz UELPRRQDRPNCRG-UHFFFAOYSA-N -1 3 350.490 3.393 20 0 FGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1c[nH]nc1-c1ccc(Cl)s1 ZINC000494895854 503631949 /nfs/dbraw/zinc/63/19/49/503631949.db2.gz UGUPMEFMUHWIEE-UHFFFAOYSA-N -1 3 371.813 3.224 20 0 FGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1c[nH]nc1-c1ccc(Cl)s1 ZINC000494895854 503631952 /nfs/dbraw/zinc/63/19/52/503631952.db2.gz UGUPMEFMUHWIEE-UHFFFAOYSA-N -1 3 371.813 3.224 20 0 FGADHM O=S(=O)([N-]c1ccc(Br)cc1Cl)c1cncc(F)c1 ZINC000500477202 503632825 /nfs/dbraw/zinc/63/28/25/503632825.db2.gz RLWZMNPQEWOORB-UHFFFAOYSA-N -1 3 365.611 3.437 20 0 FGADHM CCn1c(C)cc(C(=O)N=c2cc3ccc(Br)cn3[n-]2)c1C ZINC000509063239 503632973 /nfs/dbraw/zinc/63/29/73/503632973.db2.gz BUIQVTIRENRDBE-UHFFFAOYSA-N -1 3 361.243 3.209 20 0 FGADHM COc1cc(F)c([N-]S(=O)(=O)c2cccc(SC)c2)cc1OC ZINC000509075103 503636070 /nfs/dbraw/zinc/63/60/70/503636070.db2.gz QQEXMDFLJFDBDR-UHFFFAOYSA-N -1 3 357.428 3.366 20 0 FGADHM Cc1nc(CN2C[C@@H](F)C[C@H]2CNCc2c(F)ccc([O-])c2F)cs1 ZINC000512831674 503642014 /nfs/dbraw/zinc/64/20/14/503642014.db2.gz FBPHBVIOOHUWFF-AAEUAGOBSA-N -1 3 371.428 3.138 20 0 FGADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)c2cnn(C(C)(C)C)c2)[nH][n-]1 ZINC000512844305 503643764 /nfs/dbraw/zinc/64/37/64/503643764.db2.gz HAZNRHGZJIDLSX-UHFFFAOYSA-N -1 3 373.844 3.364 20 0 FGADHM CCn1c(SCc2cc(=O)[n-]c(C3CC3)n2)nnc1-c1ccccn1 ZINC000517016985 503644741 /nfs/dbraw/zinc/64/47/41/503644741.db2.gz RGFFXYKCXGSBKO-UHFFFAOYSA-N -1 3 354.439 3.025 20 0 FGADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)c2cccc(N(C)C)c2)[nH][n-]1 ZINC000512853816 503645707 /nfs/dbraw/zinc/64/57/07/503645707.db2.gz CUBJRJONTLYWDM-UHFFFAOYSA-N -1 3 370.840 3.479 20 0 FGADHM COc1cc(CN[C@H](c2nccn2C)C2CC2)cc(Br)c1[O-] ZINC000512879331 503649468 /nfs/dbraw/zinc/64/94/68/503649468.db2.gz CFYJZQIUBVSJFA-AWEZNQCLSA-N -1 3 366.259 3.138 20 0 FGADHM COc1ccc(CN[C@H](c2nccn2C)C2CC2)c(Br)c1[O-] ZINC000512890414 503650615 /nfs/dbraw/zinc/65/06/15/503650615.db2.gz KNUJHFRMOIUSBP-AWEZNQCLSA-N -1 3 366.259 3.138 20 0 FGADHM COc1ccc(CN[C@@H](c2nccn2C)C2CC2)c(Br)c1[O-] ZINC000512890415 503650740 /nfs/dbraw/zinc/65/07/40/503650740.db2.gz KNUJHFRMOIUSBP-CQSZACIVSA-N -1 3 366.259 3.138 20 0 FGADHM CC1(C)CC[C@@H]([N-]S(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)C1 ZINC000536634839 503653037 /nfs/dbraw/zinc/65/30/37/503653037.db2.gz MGBAPCMODCUWLZ-LLVKDONJSA-N -1 3 356.875 3.082 20 0 FGADHM COCCOc1ccc([N-]S(=O)(=O)c2ccc(OC)cc2)cc1Cl ZINC000517122077 503674878 /nfs/dbraw/zinc/67/48/78/503674878.db2.gz NJSRAIRKTPICJO-UHFFFAOYSA-N -1 3 371.842 3.175 20 0 FGADHM O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1cccc2nn[n-]c21 ZINC000527107702 503681270 /nfs/dbraw/zinc/68/12/70/503681270.db2.gz LIJJBJCIFVHFBO-UHFFFAOYSA-N -1 3 373.420 3.195 20 0 FGADHM O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1cccc2[n-]nnc21 ZINC000527107702 503681277 /nfs/dbraw/zinc/68/12/77/503681277.db2.gz LIJJBJCIFVHFBO-UHFFFAOYSA-N -1 3 373.420 3.195 20 0 FGADHM O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1cccc2n[n-]nc21 ZINC000527107702 503681284 /nfs/dbraw/zinc/68/12/84/503681284.db2.gz LIJJBJCIFVHFBO-UHFFFAOYSA-N -1 3 373.420 3.195 20 0 FGADHM CCCCS[C@@H](C)c1nc(-c2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)no1 ZINC000546238216 503684065 /nfs/dbraw/zinc/68/40/65/503684065.db2.gz MXJSAGWDGGXPOY-BBATYDOGSA-N -1 3 374.466 3.386 20 0 FGADHM C[C@]1(c2ccc(-c3noc(-c4ccccc4Cl)n3)cc2)NC(=O)[N-]C1=O ZINC000546242479 503685458 /nfs/dbraw/zinc/68/54/58/503685458.db2.gz GWGQMHNPPRSESY-GOSISDBHSA-N -1 3 368.780 3.112 20 0 FGADHM CCOC(=O)c1[n-]c(C)nc1NC(=O)c1cc(-c2ccccc2)ns1 ZINC000533005758 503694535 /nfs/dbraw/zinc/69/45/35/503694535.db2.gz OWTBZKWNJUKWNC-UHFFFAOYSA-N -1 3 356.407 3.271 20 0 FGADHM CCOC(=O)c1nc(C)[n-]c1NC(=O)c1cc(-c2ccccc2)ns1 ZINC000533005758 503694539 /nfs/dbraw/zinc/69/45/39/503694539.db2.gz OWTBZKWNJUKWNC-UHFFFAOYSA-N -1 3 356.407 3.271 20 0 FGADHM CCOc1ccncc1S(=O)(=O)[N-]Cc1ccc2cc(OC)ccc2c1 ZINC000517261302 503696847 /nfs/dbraw/zinc/69/68/47/503696847.db2.gz GNEZKPJMANTMES-UHFFFAOYSA-N -1 3 372.446 3.121 20 0 FGADHM CCc1cccc(C(=O)N[C@H](c2c(C)nn(C)c2C)C(F)(F)F)c1[O-] ZINC000536732319 503701975 /nfs/dbraw/zinc/70/19/75/503701975.db2.gz AYWGVAWTNRKRCO-OAHLLOKOSA-N -1 3 355.360 3.338 20 0 FGADHM C[C@@H]1C[C@@H](C)N1C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000527181575 503708548 /nfs/dbraw/zinc/70/85/48/503708548.db2.gz OBSJGJCHOZZUNF-SPYBWZPUSA-N -1 3 352.434 3.263 20 0 FGADHM Cc1ccc(Cc2noc([C@@H](C)[N-]S(=O)(=O)c3ccc(C)cc3)n2)cc1 ZINC000546313823 503709031 /nfs/dbraw/zinc/70/90/31/503709031.db2.gz DZFMJPWSGXUEGR-OAHLLOKOSA-N -1 3 371.462 3.317 20 0 FGADHM COc1ccc([C@H](OC)[C@H](C)[N-]S(=O)(=O)c2cc(F)cc(F)c2)cc1 ZINC000536756688 503714411 /nfs/dbraw/zinc/71/44/11/503714411.db2.gz OQWVQNMGXJAHAH-APPDUMDISA-N -1 3 371.405 3.028 20 0 FGADHM C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000527209033 503720530 /nfs/dbraw/zinc/72/05/30/503720530.db2.gz UDXPSMUYXZNFOY-YGRLFVJLSA-N -1 3 369.343 3.108 20 0 FGADHM CC(C)(C)CCCc1nc(-c2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)no1 ZINC000546361458 503723418 /nfs/dbraw/zinc/72/34/18/503723418.db2.gz GUKSSPSRDHBUMG-LJQANCHMSA-N -1 3 356.426 3.160 20 0 FGADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H](CO)c1ccccc1C ZINC000533095111 503729377 /nfs/dbraw/zinc/72/93/77/503729377.db2.gz BVRHMIPKOMDKAA-MRXNPFEDSA-N -1 3 363.410 3.201 20 0 FGADHM CCCN1CCN(C(=O)c2cc(F)cc3[n-]nnc32)c2cc(F)ccc21 ZINC000517391104 503733268 /nfs/dbraw/zinc/73/32/68/503733268.db2.gz IQGUXPSMEAAYRC-UHFFFAOYSA-N -1 3 357.364 3.113 20 0 FGADHM CCCN1CCN(C(=O)c2cc(F)cc3nn[n-]c32)c2cc(F)ccc21 ZINC000517391104 503733274 /nfs/dbraw/zinc/73/32/74/503733274.db2.gz IQGUXPSMEAAYRC-UHFFFAOYSA-N -1 3 357.364 3.113 20 0 FGADHM CCCN1CCN(C(=O)c2cc(F)cc3n[n-]nc32)c2cc(F)ccc21 ZINC000517391104 503733280 /nfs/dbraw/zinc/73/32/80/503733280.db2.gz IQGUXPSMEAAYRC-UHFFFAOYSA-N -1 3 357.364 3.113 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCC[C@H]2CC=CCC2)c1 ZINC000529866494 503738355 /nfs/dbraw/zinc/73/83/55/503738355.db2.gz IUBMUGKJYRKHQE-AWEZNQCLSA-N -1 3 369.421 3.417 20 0 FGADHM COc1cc(C)cc(-c2nc(-c3ccc(N4CCCC4)nc3)no2)c1[O-] ZINC000546409744 503738955 /nfs/dbraw/zinc/73/89/55/503738955.db2.gz ZMNOPZDVNIRRCA-UHFFFAOYSA-N -1 3 352.394 3.421 20 0 FGADHM Cc1ncc(S(=O)(=O)[N-]Cc2ccnc(O[C@H](C)CC(C)C)c2)s1 ZINC000533174793 503749257 /nfs/dbraw/zinc/74/92/57/503749257.db2.gz IAZPCLDSJFIQML-GFCCVEGCSA-N -1 3 369.512 3.138 20 0 FGADHM Cc1cc(C)n(-c2ccc(Cl)c(C(=O)Nc3nc(C)ccc3[O-])n2)n1 ZINC000543392286 503750418 /nfs/dbraw/zinc/75/04/18/503750418.db2.gz LZNRXALMNJVOIB-UHFFFAOYSA-N -1 3 357.801 3.199 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)Cc2ccccc2Br)o1 ZINC000536904563 503757704 /nfs/dbraw/zinc/75/77/04/503757704.db2.gz KBGFVLKLEASJKP-JTQLQIEISA-N -1 3 358.257 3.260 20 0 FGADHM Cc1ccc(C(C)C)cc1OCC(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000533186015 503753982 /nfs/dbraw/zinc/75/39/82/503753982.db2.gz IVATYGLDWFTAKR-UHFFFAOYSA-N -1 3 365.437 3.240 20 0 FGADHM Cc1ccc(C(C)C)cc1OCC(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000533186015 503753987 /nfs/dbraw/zinc/75/39/87/503753987.db2.gz IVATYGLDWFTAKR-UHFFFAOYSA-N -1 3 365.437 3.240 20 0 FGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]CCc2ccc(F)c(F)c2)c1 ZINC000527291333 503754662 /nfs/dbraw/zinc/75/46/62/503754662.db2.gz QMAAAWYFUBEWGV-UHFFFAOYSA-N -1 3 361.797 3.148 20 0 FGADHM Cc1ncc(CN[C@@H]2CCCOc3ccc(Br)cc32)c(=O)[n-]1 ZINC000543426830 503765459 /nfs/dbraw/zinc/76/54/59/503765459.db2.gz LBDXUBABZUJWCL-CQSZACIVSA-N -1 3 364.243 3.257 20 0 FGADHM CCN=c1[n-]c(C(=O)N[C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)cs1 ZINC000537000375 503774532 /nfs/dbraw/zinc/77/45/32/503774532.db2.gz CCKGPFWBODWNMQ-TZMCWYRMSA-N -1 3 369.849 3.049 20 0 FGADHM O=C(N[C@H]1CCCc2cn(C3CCCC3)nc21)c1cccc2nn[n-]c21 ZINC000527364679 503778870 /nfs/dbraw/zinc/77/88/70/503778870.db2.gz WHCWZYXSAFMSBG-HNNXBMFYSA-N -1 3 350.426 3.077 20 0 FGADHM O=C(N[C@H]1CCCc2cn(C3CCCC3)nc21)c1cccc2[n-]nnc21 ZINC000527364679 503778875 /nfs/dbraw/zinc/77/88/75/503778875.db2.gz WHCWZYXSAFMSBG-HNNXBMFYSA-N -1 3 350.426 3.077 20 0 FGADHM O=C(N[C@H]1CCCc2cn(C3CCCC3)nc21)c1cccc2n[n-]nc21 ZINC000527364679 503778880 /nfs/dbraw/zinc/77/88/80/503778880.db2.gz WHCWZYXSAFMSBG-HNNXBMFYSA-N -1 3 350.426 3.077 20 0 FGADHM CN(C(=O)c1cccc2[n-]nnc21)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000527364659 503779092 /nfs/dbraw/zinc/77/90/92/503779092.db2.gz SCXBIDBSTBZCRG-YOEHRIQHSA-N -1 3 354.385 3.089 20 0 FGADHM CN(C(=O)c1cccc2nn[n-]c21)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000527364659 503779094 /nfs/dbraw/zinc/77/90/94/503779094.db2.gz SCXBIDBSTBZCRG-YOEHRIQHSA-N -1 3 354.385 3.089 20 0 FGADHM CN(C(=O)c1cccc2n[n-]nc21)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000527364659 503779097 /nfs/dbraw/zinc/77/90/97/503779097.db2.gz SCXBIDBSTBZCRG-YOEHRIQHSA-N -1 3 354.385 3.089 20 0 FGADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)CCc2cncc(F)c2)[nH][n-]1 ZINC000540473934 503781919 /nfs/dbraw/zinc/78/19/19/503781919.db2.gz ZQUUMLIEYMKSJI-UHFFFAOYSA-N -1 3 374.803 3.266 20 0 FGADHM COC(=O)[C@H]1CN(C(=O)c2cc([O-])c3ccccc3c2)c2ccccc2O1 ZINC000527457218 503796004 /nfs/dbraw/zinc/79/60/04/503796004.db2.gz BKIWKNWOWHXKNO-LJQANCHMSA-N -1 3 363.369 3.126 20 0 FGADHM O=C([N-]c1cc2c(cc1F)NC(=O)CC2)c1ncsc1C(F)(F)F ZINC000527459254 503797596 /nfs/dbraw/zinc/79/75/96/503797596.db2.gz RXGONMBVMPWTOT-UHFFFAOYSA-N -1 3 359.304 3.438 20 0 FGADHM Cc1cc(C(=O)N2CC=C(c3cccc(Br)c3)CC2)[n-]c(=O)n1 ZINC000546587125 503798950 /nfs/dbraw/zinc/79/89/50/503798950.db2.gz QHECTQKEKSCKOB-UHFFFAOYSA-N -1 3 374.238 3.183 20 0 FGADHM CCOCCOc1ccccc1C(=O)N=c1cc(-c2ccccc2C)[n-][nH]1 ZINC000537119230 503808198 /nfs/dbraw/zinc/80/81/98/503808198.db2.gz AVARFAPRFYVDQD-UHFFFAOYSA-N -1 3 365.433 3.475 20 0 FGADHM O=C(CCc1ncc(-c2ccccc2F)o1)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000527499167 503812892 /nfs/dbraw/zinc/81/28/92/503812892.db2.gz NHFGTSOVESKMBV-OAHLLOKOSA-N -1 3 370.384 3.049 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]C[C@@]2(C)CCO[C@H]2C2CC2)c(Cl)cc1F ZINC000546633380 503817061 /nfs/dbraw/zinc/81/70/61/503817061.db2.gz YHTMZNQEASOBEQ-JKSUJKDBSA-N -1 3 361.866 3.271 20 0 FGADHM C[C@](O)(C1CCN(C(=O)Cc2ccc([O-])cc2Cl)CC1)C(F)(F)F ZINC000546661948 503828742 /nfs/dbraw/zinc/82/87/42/503828742.db2.gz UNBMYVWNEGBNDQ-HNNXBMFYSA-N -1 3 365.779 3.140 20 0 FGADHM CO[C@H](c1ccccc1F)[C@H](C)[N-]S(=O)(=O)c1cc(F)c(C)cc1F ZINC000537183036 503830362 /nfs/dbraw/zinc/83/03/62/503830362.db2.gz MJZKKWGVFPHNLK-GTNSWQLSSA-N -1 3 373.396 3.467 20 0 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PIIOZZCDHVVNNB-UHFFFAOYSA-N -1 3 362.282 3.249 20 0 FGADHM COc1ccc([C@H](OC)[C@@H](C)NC(=O)c2c[n-]c3ccccc3c2=O)cc1 ZINC000537965102 504096717 /nfs/dbraw/zinc/09/67/17/504096717.db2.gz UGZKAZQQJQROJG-ZUOKHONESA-N -1 3 366.417 3.043 20 0 FGADHM Cc1ccc([O-])c(NC(=O)c2nc(C(C)C)n(-c3ccccc3F)n2)n1 ZINC000544346722 504097113 /nfs/dbraw/zinc/09/71/13/504097113.db2.gz DRTOKCSFFZZLAN-UHFFFAOYSA-N -1 3 355.373 3.191 20 0 FGADHM CC(C)OCCCC[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000544352569 504099997 /nfs/dbraw/zinc/09/99/97/504099997.db2.gz FYGXXEZNAIZEOE-UHFFFAOYSA-N -1 3 368.268 3.072 20 0 FGADHM COc1cncc(S(=O)(=O)[N-][C@@H](CC(F)(F)F)c2ccccc2C)c1 ZINC000544371549 504106582 /nfs/dbraw/zinc/10/65/82/504106582.db2.gz RHANZQQUKQTLRS-HNNXBMFYSA-N -1 3 374.384 3.371 20 0 FGADHM COc1cc(-c2nc(C(C)(C)c3cc(C)ccn3)no2)cc(OC)c1[O-] ZINC000528262265 504136037 /nfs/dbraw/zinc/13/60/37/504136037.db2.gz KSWSFKTUMNDIFZ-UHFFFAOYSA-N -1 3 355.394 3.489 20 0 FGADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CC[C@@H]1C1CC1 ZINC000519083056 504136608 /nfs/dbraw/zinc/13/66/08/504136608.db2.gz UIMQLUPCFXUSST-VQTJNVASSA-N -1 3 364.445 3.264 20 0 FGADHM Cc1nc(C)c(S(=O)(=O)[N-]Cc2ccccc2COC(C)C)s1 ZINC000530956833 504142128 /nfs/dbraw/zinc/14/21/28/504142128.db2.gz YORQUONVNVYKDT-UHFFFAOYSA-N -1 3 354.497 3.163 20 0 FGADHM Cc1ncc(CNC(=O)N[C@@H](c2ccc(F)cc2F)C(C)(C)C)c(=O)[n-]1 ZINC000541480128 504144564 /nfs/dbraw/zinc/14/45/64/504144564.db2.gz IWLRCKGUMWCXDD-HNNXBMFYSA-N -1 3 364.396 3.355 20 0 FGADHM COc1cccc(OC(F)(F)F)c1S(=O)(=O)[N-]C(C1CC1)C1CC1 ZINC000528294057 504153645 /nfs/dbraw/zinc/15/36/45/504153645.db2.gz INJZIGMBGYTNCX-UHFFFAOYSA-N -1 3 365.373 3.061 20 0 FGADHM COc1cccc(OC(F)(F)F)c1S(=O)(=O)[N-]CC1CCCC1 ZINC000528302670 504159372 /nfs/dbraw/zinc/15/93/72/504159372.db2.gz TYJMGLHVYRAHQD-UHFFFAOYSA-N -1 3 353.362 3.062 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)C(=O)Nc1cccc(C(F)F)c1Cl ZINC000544525896 504161995 /nfs/dbraw/zinc/16/19/95/504161995.db2.gz TUCSOIAFCGZUJH-UHFFFAOYSA-N -1 3 372.730 3.377 20 0 FGADHM CC[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1c(OC)cccc1OC(F)(F)F ZINC000528309759 504162277 /nfs/dbraw/zinc/16/22/77/504162277.db2.gz AXZOBHFNJUTWBX-NXEZZACHSA-N -1 3 355.378 3.307 20 0 FGADHM CS(=O)(=O)c1ccc(C(=O)[N-]c2cc(-c3ccc(Cl)s3)[nH]n2)o1 ZINC000534555586 504173916 /nfs/dbraw/zinc/17/39/16/504173916.db2.gz JJGPFTWADCFOSX-UHFFFAOYSA-N -1 3 371.827 3.040 20 0 FGADHM Cc1ccc2[n-]cc(C(=O)N(C)CCOc3ccc(F)cc3)c(=O)c2c1 ZINC000541558561 504176302 /nfs/dbraw/zinc/17/63/02/504176302.db2.gz DXUICBMDUKAAEQ-UHFFFAOYSA-N -1 3 354.381 3.127 20 0 FGADHM Cc1nnc([C@H](C)[N-]S(=O)(=O)c2ccc(Cl)c3ccccc32)o1 ZINC000519280387 504181673 /nfs/dbraw/zinc/18/16/73/504181673.db2.gz LYBQBGIGNDXSGG-VIFPVBQESA-N -1 3 351.815 3.224 20 0 FGADHM O=S(=O)([N-]CC[C@H](O)C(F)(F)F)c1ccc(Cl)c2ccccc21 ZINC000544610716 504191275 /nfs/dbraw/zinc/19/12/75/504191275.db2.gz CGQCDTJFGOQVMS-ZDUSSCGKSA-N -1 3 367.776 3.085 20 0 FGADHM CCc1cccc(-c2nc(-c3ccc(Cn4cncn4)c(F)c3)no2)c1[O-] ZINC000544644553 504203574 /nfs/dbraw/zinc/20/35/74/504203574.db2.gz NTFNCBDKWKQZHY-UHFFFAOYSA-N -1 3 365.368 3.451 20 0 FGADHM O=S(=O)([N-][C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21)c1cncc(Cl)c1 ZINC000528465161 504235379 /nfs/dbraw/zinc/23/53/79/504235379.db2.gz MZCHXHULCHNXJN-QLFBSQMISA-N -1 3 355.246 3.005 20 0 FGADHM Cc1ccc(-c2nnc([C@@H](C)N3CCC[C@@H](c4n[n-]c(=O)o4)C3)o2)cc1 ZINC000519522100 504238084 /nfs/dbraw/zinc/23/80/84/504238084.db2.gz XIADMEINNKDQGL-TZMCWYRMSA-N -1 3 355.398 3.074 20 0 FGADHM CC[C@@H](C)[C@H](NC(=O)N=c1cc(OC)n(C)[n-]1)c1ccc(Cl)cc1 ZINC000547839451 504243919 /nfs/dbraw/zinc/24/39/19/504243919.db2.gz XLLHXUDXIKBSOD-BZNIZROVSA-N -1 3 350.850 3.413 20 0 FGADHM COCc1nc(C(=O)[N-]c2nc(-c3c[nH]c4ncccc34)c(C)s2)co1 ZINC000547858784 504251584 /nfs/dbraw/zinc/25/15/84/504251584.db2.gz PMRKJVJAEDQBBD-UHFFFAOYSA-N -1 3 369.406 3.382 20 0 FGADHM COCc1nc(C(=O)[N-]c2ccc(C(=O)OC(C)(C)C)cc2F)co1 ZINC000547865056 504253556 /nfs/dbraw/zinc/25/35/56/504253556.db2.gz XPCOLUAARLDFIC-UHFFFAOYSA-N -1 3 350.346 3.168 20 0 FGADHM COc1ccc([O-])c(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)cc2)c1 ZINC000534859988 504261920 /nfs/dbraw/zinc/26/19/20/504261920.db2.gz LIBNTQNGQNOYBF-SJLPKXTDSA-N -1 3 360.841 3.229 20 0 FGADHM C[C@@H]1Cc2cc(S(=O)(=O)[N-]C3(C(F)(F)F)CCC3)cc(Cl)c2O1 ZINC000544837542 504275068 /nfs/dbraw/zinc/27/50/68/504275068.db2.gz VJPXFNYKAIZMJB-MRVPVSSYSA-N -1 3 369.792 3.427 20 0 FGADHM CC(C)CN(C(=O)c1cc([O-])cc(Br)c1)C1CCN(C)CC1 ZINC000528566962 504275308 /nfs/dbraw/zinc/27/53/08/504275308.db2.gz PWTOQQPQXGMONG-UHFFFAOYSA-N -1 3 369.303 3.347 20 0 FGADHM C[C@@H](c1ccccc1)N1CC[C@H](N=c2[n-]nc(-c3ccccn3)s2)C1 ZINC000544858126 504283285 /nfs/dbraw/zinc/28/32/85/504283285.db2.gz XORTXQVGAGIMMG-HOCLYGCPSA-N -1 3 351.479 3.269 20 0 FGADHM Cc1cc(CS(=O)(=O)[N-][C@H](C)c2nc(-c3ccccc3)cs2)on1 ZINC000531382682 504288584 /nfs/dbraw/zinc/28/85/84/504288584.db2.gz UPZRYUWEISNNCC-GFCCVEGCSA-N -1 3 363.464 3.287 20 0 FGADHM Cc1cccc(S(=O)(=O)[N-][C@@H]2CCCOc3cc(F)ccc32)c1F ZINC000541912898 504299802 /nfs/dbraw/zinc/29/98/02/504299802.db2.gz PAFNVZWOGPLZSR-CQSZACIVSA-N -1 3 353.390 3.465 20 0 FGADHM COc1ccc(CN(C)CCc2nccs2)c(Br)c1[O-] ZINC000544929510 504303115 /nfs/dbraw/zinc/30/31/15/504303115.db2.gz VZMATAZOPGGWDL-UHFFFAOYSA-N -1 3 357.273 3.294 20 0 FGADHM COc1ccc(CN(C)C)cc1[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000548040515 504307676 /nfs/dbraw/zinc/30/76/76/504307676.db2.gz GBXIUENKCQZCRN-UHFFFAOYSA-N -1 3 372.849 3.350 20 0 FGADHM COc1ccc(CN(C)C)cc1[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000548040244 504307924 /nfs/dbraw/zinc/30/79/24/504307924.db2.gz GIDMQAFQIJVJIG-UHFFFAOYSA-N -1 3 372.849 3.350 20 0 FGADHM Cc1cc2ncc(C(=O)Nc3cc(Br)ccc3[O-])c(C)n2n1 ZINC000531492611 504326694 /nfs/dbraw/zinc/32/66/94/504326694.db2.gz CQNCXPIFUDTGCG-UHFFFAOYSA-N -1 3 361.199 3.067 20 0 FGADHM CCCS(=O)(=O)[N-]c1ccc(-c2nc(-c3cncc(C)c3)no2)cc1 ZINC000545023834 504334439 /nfs/dbraw/zinc/33/44/39/504334439.db2.gz GPLIAGDGNVOHKR-UHFFFAOYSA-N -1 3 358.423 3.259 20 0 FGADHM Cc1nc(-c2ccc(CNC(=O)c3cc(=O)[n-]c(C4CC4)n3)s2)cs1 ZINC000519777436 504336007 /nfs/dbraw/zinc/33/60/07/504336007.db2.gz OFLVKUHFEVFXST-UHFFFAOYSA-N -1 3 372.475 3.483 20 0 FGADHM CCCn1c(=O)[n-]c(=O)c2c(-c3nc([C@H]4C[C@H]4C)no3)cc(C(C)C)nc21 ZINC000545069544 504347945 /nfs/dbraw/zinc/34/79/45/504347945.db2.gz XJYVZKNILXXPSE-MNOVXSKESA-N -1 3 369.425 3.204 20 0 FGADHM C[C@@H](c1noc([C@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2)n1)C1CC1 ZINC000545089534 504354978 /nfs/dbraw/zinc/35/49/78/504354978.db2.gz DVZYJNRYDUWFAV-ZJUUUORDSA-N -1 3 355.847 3.276 20 0 FGADHM CN(C)[C@@H](C[N-]S(=O)(=O)c1cc(F)cc(Cl)c1)c1cccs1 ZINC000535159049 504358816 /nfs/dbraw/zinc/35/88/16/504358816.db2.gz IBAILYVFRPVLNY-ZDUSSCGKSA-N -1 3 362.879 3.122 20 0 FGADHM COc1cc(=NC(=O)[C@H](Oc2ccc(Cl)cc2)c2ccccc2)[n-]n1C ZINC000548193337 504365460 /nfs/dbraw/zinc/36/54/60/504365460.db2.gz ULKCNUDUWPLDPH-GOSISDBHSA-N -1 3 371.824 3.263 20 0 FGADHM CCc1cccc(C(=O)N2CSC[C@H]2C(=O)Nc2cccc(F)c2)c1[O-] ZINC000538789321 504371408 /nfs/dbraw/zinc/37/14/08/504371408.db2.gz ZWVSYXBTCXCHKR-INIZCTEOSA-N -1 3 374.437 3.248 20 0 FGADHM CN1CCN(c2ccccc2-c2noc(-c3ccc([O-])cc3F)n2)CC1 ZINC000548269795 504379256 /nfs/dbraw/zinc/37/92/56/504379256.db2.gz QUOUNCQRDZQKDY-UHFFFAOYSA-N -1 3 354.385 3.000 20 0 FGADHM FC(F)(F)COc1ccccc1CN=c1[n-]ncn1Cc1ccccc1 ZINC000548288568 504388065 /nfs/dbraw/zinc/38/80/65/504388065.db2.gz MDMVKQGVKXBCNQ-UHFFFAOYSA-N -1 3 362.355 3.302 20 0 FGADHM Cc1ccc(CN(CCO)Cc2cc([O-])ccc2Br)cc1 ZINC000542174045 504392892 /nfs/dbraw/zinc/39/28/92/504392892.db2.gz DSSXPSRZLQEASO-UHFFFAOYSA-N -1 3 350.256 3.458 20 0 FGADHM CCOC(=O)C1(CNC(=O)c2c[n-]nc2-c2ccc(Cl)s2)CCC1 ZINC000548304368 504393116 /nfs/dbraw/zinc/39/31/16/504393116.db2.gz ONQTYTPILHETSR-UHFFFAOYSA-N -1 3 367.858 3.255 20 0 FGADHM Cc1ncc(CNC(=O)N[C@@H]2c3ccccc3CC[C@H]2C(C)C)c(=O)[n-]1 ZINC000545204829 504394985 /nfs/dbraw/zinc/39/49/85/504394985.db2.gz LFJWUQFVAXQZEK-WMZOPIPTSA-N -1 3 354.454 3.250 20 0 FGADHM CCOC(=O)c1nc[n-]c1NC(=O)c1csc(-c2ccc(F)cc2)n1 ZINC000538855528 504395288 /nfs/dbraw/zinc/39/52/88/504395288.db2.gz SEJPUEDDIKYNAM-UHFFFAOYSA-N -1 3 360.370 3.101 20 0 FGADHM CCOC(=O)c1[n-]cnc1NC(=O)c1csc(-c2ccc(F)cc2)n1 ZINC000538855528 504395291 /nfs/dbraw/zinc/39/52/91/504395291.db2.gz SEJPUEDDIKYNAM-UHFFFAOYSA-N -1 3 360.370 3.101 20 0 FGADHM O=C(c1cc([O-])cc(Br)c1)N1CCO[C@@H](c2ccsc2)C1 ZINC000528817230 504397772 /nfs/dbraw/zinc/39/77/72/504397772.db2.gz CFFWXJNCDFFWEQ-CQSZACIVSA-N -1 3 368.252 3.430 20 0 FGADHM O=C(Nc1nnc(-c2ccccn2)[n-]1)C1(Cc2ccc(Cl)cc2)CC1 ZINC000538895221 504408509 /nfs/dbraw/zinc/40/85/09/504408509.db2.gz XOALKULCVGTTIB-UHFFFAOYSA-N -1 3 353.813 3.482 20 0 FGADHM O=C(Nc1nc(-c2ccccn2)n[n-]1)C1(Cc2ccc(Cl)cc2)CC1 ZINC000538895221 504408511 /nfs/dbraw/zinc/40/85/11/504408511.db2.gz XOALKULCVGTTIB-UHFFFAOYSA-N -1 3 353.813 3.482 20 0 FGADHM O=C(Nc1n[n-]c(-c2ccccn2)n1)C1(Cc2ccc(Cl)cc2)CC1 ZINC000538895221 504408516 /nfs/dbraw/zinc/40/85/16/504408516.db2.gz XOALKULCVGTTIB-UHFFFAOYSA-N -1 3 353.813 3.482 20 0 FGADHM CCOC(=O)c1ccc(NC(=O)COC/C=C/c2ccccc2)c([O-])c1 ZINC000538926677 504419775 /nfs/dbraw/zinc/41/97/75/504419775.db2.gz JNJDASDYKMQQQN-RMKNXTFCSA-N -1 3 355.390 3.237 20 0 FGADHM CCCN(C(=O)Cc1c(C)nc(C)[n-]c1=O)[C@@H](C)c1ccccc1OC ZINC000520151383 504420352 /nfs/dbraw/zinc/42/03/52/504420352.db2.gz YSHRAFHSKNQEJS-AWEZNQCLSA-N -1 3 357.454 3.350 20 0 FGADHM O=S(=O)([N-][C@@H]1CCOc2ccc(F)cc21)c1cc(F)cc(Cl)c1 ZINC000548371367 504420446 /nfs/dbraw/zinc/42/04/46/504420446.db2.gz GKSIJGXULRGIHY-CQSZACIVSA-N -1 3 359.781 3.420 20 0 FGADHM COc1cccc(-c2nc(C(=O)[N-]c3nc4c(s3)CCCC4)no2)c1 ZINC000531857600 504447904 /nfs/dbraw/zinc/44/79/04/504447904.db2.gz SMRHISHHCPJAIP-UHFFFAOYSA-N -1 3 356.407 3.333 20 0 FGADHM CCc1n[n-]c(=NC(=O)NCC2(N[C@H](C)c3ccccc3)CCCC2)s1 ZINC000520267190 504450363 /nfs/dbraw/zinc/45/03/63/504450363.db2.gz ZDTMNEGXCAKDIX-CQSZACIVSA-N -1 3 373.526 3.308 20 0 FGADHM O=C(c1cc([O-])cc(Br)c1)N1CCC[C@@H]1[C@H]1CCCC1=O ZINC000528924677 504452575 /nfs/dbraw/zinc/45/25/75/504452575.db2.gz NRGXSJVXUIJGBX-ZIAGYGMSSA-N -1 3 352.228 3.129 20 0 FGADHM CCCCCS(=O)(=O)[N-][C@@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000545362072 504461243 /nfs/dbraw/zinc/46/12/43/504461243.db2.gz OMJYOCRPJOVRDW-LBPRGKRZSA-N -1 3 355.435 3.355 20 0 FGADHM COCc1nc(C(=O)[N-]c2ncc(Cc3ccc(F)cc3F)s2)co1 ZINC000548491910 504466653 /nfs/dbraw/zinc/46/66/53/504466653.db2.gz YMUMAPSAODOVPH-UHFFFAOYSA-N -1 3 365.361 3.399 20 0 FGADHM COc1cc(=NC(=O)N2CCCC[C@@H]2c2cc3ccccc3[nH]2)[n-]n1C ZINC000548500271 504468873 /nfs/dbraw/zinc/46/88/73/504468873.db2.gz WLLAQPBQQPQQCB-MRXNPFEDSA-N -1 3 353.426 3.091 20 0 FGADHM Cc1ncc(CNC(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2Cl)c(=O)[n-]1 ZINC000542385568 504470163 /nfs/dbraw/zinc/47/01/63/504470163.db2.gz KWQOCGWLFUXUAO-STQMWFEESA-N -1 3 352.221 3.217 20 0 FGADHM COc1ccc(-c2cc(C(=O)NCc3cnc(C)[n-]c3=O)sc2C)cc1 ZINC000542385340 504470270 /nfs/dbraw/zinc/47/02/70/504470270.db2.gz WMZVFRDYRFXSSM-UHFFFAOYSA-N -1 3 369.446 3.466 20 0 FGADHM CO[C@@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000539221387 504500924 /nfs/dbraw/zinc/50/09/24/504500924.db2.gz SSIYEIZIDPMLJY-ZYHUDNBSSA-N -1 3 352.283 3.395 20 0 FGADHM Cc1ccc2[n-]cc(C(=O)N3CCO[C@@H](c4ccccc4F)C3)c(=O)c2c1 ZINC000542504240 504516913 /nfs/dbraw/zinc/51/69/13/504516913.db2.gz IHBDGTIUHKJSMQ-LJQANCHMSA-N -1 3 366.392 3.189 20 0 FGADHM CC(C)CCO[C@@H]1CCCC[C@H]1NC(=O)c1c[n-]c2ccncc2c1=O ZINC000520533059 504521489 /nfs/dbraw/zinc/52/14/89/504521489.db2.gz OEDPRIDEUJQYLH-QZTJIDSGSA-N -1 3 357.454 3.027 20 0 FGADHM CCOC(=O)CC(C)(C)N(C)Cc1ccc(OC)c([O-])c1Br ZINC000545547726 504521532 /nfs/dbraw/zinc/52/15/32/504521532.db2.gz DRKNBTIUYGETKR-UHFFFAOYSA-N -1 3 374.275 3.327 20 0 FGADHM Cn1[n-]c(CN[C@@H]2CCCCC[C@H]2c2ccccc2C(F)(F)F)nc1=O ZINC000542534445 504530737 /nfs/dbraw/zinc/53/07/37/504530737.db2.gz ZXTSXEQCWRCJEW-DZGCQCFKSA-N -1 3 368.403 3.333 20 0 FGADHM CS(=O)(=O)[N-]c1cncc(C(=O)N2CCC[C@H]2CCC2CCCC2)c1 ZINC000535758798 504535187 /nfs/dbraw/zinc/53/51/87/504535187.db2.gz VQXCYVVAAUJBAS-KRWDZBQOSA-N -1 3 365.499 3.028 20 0 FGADHM CS(=O)(=O)[N-]c1cc(-c2nc(-c3ccccc3F)no2)ccc1F ZINC000545592800 504535411 /nfs/dbraw/zinc/53/54/11/504535411.db2.gz YACQZXOEAIIRJP-UHFFFAOYSA-N -1 3 351.334 3.053 20 0 FGADHM O=S(=O)([N-]C1(C2CC2)CC1)c1ccc(Br)cc1Cl ZINC000532112976 504539427 /nfs/dbraw/zinc/53/94/27/504539427.db2.gz CVVNAKPKKGQTKR-UHFFFAOYSA-N -1 3 350.665 3.323 20 0 FGADHM CCO[C@@H](CCNC(=O)Cc1ccc(Br)cc1[O-])C(C)C ZINC000548732770 504544768 /nfs/dbraw/zinc/54/47/68/504544768.db2.gz IAJGSUZWHWPFNZ-HNNXBMFYSA-N -1 3 358.276 3.265 20 0 FGADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]CC1([C@@H](C)CCO)CCC1 ZINC000539385681 504550314 /nfs/dbraw/zinc/55/03/14/504550314.db2.gz WGVWQQLYKXMZMD-LBPRGKRZSA-N -1 3 369.458 3.347 20 0 FGADHM C[C@]1(c2cccc(-c3noc(-c4cccc(Cl)c4)n3)c2)NC(=O)[N-]C1=O ZINC000545648352 504552024 /nfs/dbraw/zinc/55/20/24/504552024.db2.gz UUARNOGUYOFOLE-GOSISDBHSA-N -1 3 368.780 3.112 20 0 FGADHM COCCN(C(=O)c1cc([O-])cc(Br)c1)[C@H]1CCC[C@@H]1C ZINC000529159888 504559398 /nfs/dbraw/zinc/55/93/98/504559398.db2.gz JXXHGJPHOBCPOF-NHYWBVRUSA-N -1 3 356.260 3.432 20 0 FGADHM O=C(N=c1cc2ccccn2[n-]1)N[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000548773111 504561265 /nfs/dbraw/zinc/56/12/65/504561265.db2.gz ZKZUDXIDOYBCGA-LSDHHAIUSA-N -1 3 371.238 3.196 20 0 FGADHM CCCCS(=O)(=O)[N-]Cc1nc(-c2ccc3sccc3c2)no1 ZINC000545691194 504563429 /nfs/dbraw/zinc/56/34/29/504563429.db2.gz MTBSZLJOOZLNOK-UHFFFAOYSA-N -1 3 351.453 3.171 20 0 FGADHM CC(C)CCc1noc([C@@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000545699188 504566702 /nfs/dbraw/zinc/56/67/02/504566702.db2.gz XQXUVRWXBOHDEW-LLVKDONJSA-N -1 3 357.863 3.351 20 0 FGADHM Cc1ncc(CNC(=O)C(C)(C)c2csc(-c3cccs3)n2)c(=O)[n-]1 ZINC000548796471 504570611 /nfs/dbraw/zinc/57/06/11/504570611.db2.gz JFWAIJMXMMIXOQ-UHFFFAOYSA-N -1 3 374.491 3.270 20 0 FGADHM CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)c2cc(F)cc3nn[n-]c32)c1 ZINC000548799806 504572293 /nfs/dbraw/zinc/57/22/93/504572293.db2.gz YVXXQVYPFQBYOD-LLVKDONJSA-N -1 3 369.400 3.012 20 0 FGADHM CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)c2cc(F)cc3[n-]nnc32)c1 ZINC000548799806 504572298 /nfs/dbraw/zinc/57/22/98/504572298.db2.gz YVXXQVYPFQBYOD-LLVKDONJSA-N -1 3 369.400 3.012 20 0 FGADHM CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)c2cc(F)cc3n[n-]nc32)c1 ZINC000548799806 504572301 /nfs/dbraw/zinc/57/23/01/504572301.db2.gz YVXXQVYPFQBYOD-LLVKDONJSA-N -1 3 369.400 3.012 20 0 FGADHM CCc1cccc(-c2nc(COc3cccc(C(=O)OC)c3)no2)c1[O-] ZINC000542708451 504584097 /nfs/dbraw/zinc/58/40/97/504584097.db2.gz XUNWNKOJRDEQPC-UHFFFAOYSA-N -1 3 354.362 3.370 20 0 FGADHM COc1ccc([C@H]2C[C@H]([N-]S(=O)(=O)c3ccc(F)cc3F)C2)cc1F ZINC000548851845 504592274 /nfs/dbraw/zinc/59/22/74/504592274.db2.gz UXTQZOCVHZSSPK-AULYBMBSSA-N -1 3 371.380 3.337 20 0 FGADHM CCCS(=O)(=O)[N-]c1ccc(-c2nc(-c3nc(C)cs3)no2)cc1 ZINC000545793537 504597861 /nfs/dbraw/zinc/59/78/61/504597861.db2.gz UCMMCTRUWOFZFZ-UHFFFAOYSA-N -1 3 364.452 3.320 20 0 FGADHM COc1ccc(C[C@H](C)CN(C)C(=O)c2cc(F)cc3[n-]nnc32)cc1 ZINC000548871577 504599120 /nfs/dbraw/zinc/59/91/20/504599120.db2.gz RIBSTEMQAXZZFD-LBPRGKRZSA-N -1 3 356.401 3.056 20 0 FGADHM COc1ccc(C[C@H](C)CN(C)C(=O)c2cc(F)cc3nn[n-]c32)cc1 ZINC000548871577 504599125 /nfs/dbraw/zinc/59/91/25/504599125.db2.gz RIBSTEMQAXZZFD-LBPRGKRZSA-N -1 3 356.401 3.056 20 0 FGADHM COc1ccc(C[C@H](C)CN(C)C(=O)c2cc(F)cc3n[n-]nc32)cc1 ZINC000548871577 504599129 /nfs/dbraw/zinc/59/91/29/504599129.db2.gz RIBSTEMQAXZZFD-LBPRGKRZSA-N -1 3 356.401 3.056 20 0 FGADHM COc1ccc2c(c1)[n-]cc(C(=O)Nc1ccc(Cn3cccn3)cc1)c2=O ZINC000521052743 504636762 /nfs/dbraw/zinc/63/67/62/504636762.db2.gz AHMFBXMDZFMELA-UHFFFAOYSA-N -1 3 374.400 3.034 20 0 FGADHM COc1ccc2c([O-])c(C(=O)Nc3ccc(Cn4cccn4)cc3)cnc2c1 ZINC000521052743 504636767 /nfs/dbraw/zinc/63/67/67/504636767.db2.gz AHMFBXMDZFMELA-UHFFFAOYSA-N -1 3 374.400 3.034 20 0 FGADHM O=S(=O)([N-][C@@H]1c2ccccc2C[C@@H]1O)c1c(Cl)ccc2ccccc21 ZINC000536166605 504655237 /nfs/dbraw/zinc/65/52/37/504655237.db2.gz WVVSRGZADCIQBU-ZWKOTPCHSA-N -1 3 373.861 3.430 20 0 FGADHM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2cccc([C@H]3CNC(=O)C3)c2)c1C ZINC000532499046 504671946 /nfs/dbraw/zinc/67/19/46/504671946.db2.gz SKIKHBZLUXVNOI-QGZVFWFLSA-N -1 3 372.490 3.325 20 0 FGADHM CCc1cccc(C(=O)Nc2cc(C(=O)OC)cc(OC)c2OC)c1[O-] ZINC000539864824 504722387 /nfs/dbraw/zinc/72/23/87/504722387.db2.gz OOOLXMVZISOBOE-UHFFFAOYSA-N -1 3 359.378 3.011 20 0 FGADHM CC(=O)[C@@H]1C[C@H](CC(=O)N=c2cc(-c3cc(F)cc(F)c3)[n-][nH]2)C1(C)C ZINC000546148278 504727213 /nfs/dbraw/zinc/72/72/13/504727213.db2.gz LDASUQHNSLTZEG-DOMZBBRYSA-N -1 3 361.392 3.357 20 0 FGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]CC[C@@H](C)c1ccccc1 ZINC000546164387 504732337 /nfs/dbraw/zinc/73/23/37/504732337.db2.gz AHGJLERDCRXKQO-CYBMUJFWSA-N -1 3 365.426 3.084 20 0 FGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]CCOCC(F)(F)F)c1Cl ZINC000521423024 504732552 /nfs/dbraw/zinc/73/25/52/504732552.db2.gz UKJWFKBLBJSTQC-UHFFFAOYSA-N -1 3 366.188 3.159 20 0 FGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]CC[C@H](C)c1ccccc1 ZINC000546164388 504732656 /nfs/dbraw/zinc/73/26/56/504732656.db2.gz AHGJLERDCRXKQO-ZDUSSCGKSA-N -1 3 365.426 3.084 20 0 FGADHM COc1cc2c(cc1F)[n-]cc(C(=O)NCCc1cccc(Cl)c1)c2=O ZINC000539934201 504741868 /nfs/dbraw/zinc/74/18/68/504741868.db2.gz VBGGTBUWSNGNAD-UHFFFAOYSA-N -1 3 374.799 3.302 20 0 FGADHM Cc1ncc(S(=O)(=O)[N-][C@H](Cc2ccc(C)cc2)c2ccccn2)s1 ZINC000532853964 504767441 /nfs/dbraw/zinc/76/74/41/504767441.db2.gz BAHKHHLYMKYVRL-QGZVFWFLSA-N -1 3 373.503 3.417 20 0 FGADHM CC(C)(C)c1csc(CC[N-]S(=O)(=O)c2cncc(Cl)c2)n1 ZINC000532854302 504767921 /nfs/dbraw/zinc/76/79/21/504767921.db2.gz GBNIGGAOIFDNOK-UHFFFAOYSA-N -1 3 359.904 3.010 20 0 FGADHM Cc1ncc(S(=O)(=O)[N-]C[C@H]2CCCO[C@@H]2c2ccc(C)cc2)s1 ZINC000532858301 504768291 /nfs/dbraw/zinc/76/82/91/504768291.db2.gz LBYCLXHIJPOTBE-NVXWUHKLSA-N -1 3 366.508 3.206 20 0 FGADHM COc1cccc([C@@H](CC(=O)[O-])NCc2cccc(-n3cccn3)c2)c1 ZINC000559160356 504794785 /nfs/dbraw/zinc/79/47/85/504794785.db2.gz ZFHSVCVYVYZGPI-LJQANCHMSA-N -1 3 351.406 3.187 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N3CC[C@H]3Cc3ccccc3)c[n-]c12 ZINC000553036656 504811124 /nfs/dbraw/zinc/81/11/24/504811124.db2.gz DANMQMOAIMVIPD-INIZCTEOSA-N -1 3 350.393 3.433 20 0 FGADHM O=C(Nc1ccccc1CN1CCSCC1)c1cc(C(F)(F)F)n[n-]1 ZINC000559269397 504814467 /nfs/dbraw/zinc/81/44/67/504814467.db2.gz BAHULYWWFUEUPI-UHFFFAOYSA-N -1 3 370.400 3.230 20 0 FGADHM O=C(Nc1ccccc1CN1CCSCC1)c1cc(C(F)(F)F)[n-]n1 ZINC000559269397 504814471 /nfs/dbraw/zinc/81/44/71/504814471.db2.gz BAHULYWWFUEUPI-UHFFFAOYSA-N -1 3 370.400 3.230 20 0 FGADHM COc1ccc(C[C@H]2CCCN(C(=O)c3cc(=O)[n-]c(C4CC4)n3)C2)cc1 ZINC000565189190 504821679 /nfs/dbraw/zinc/82/16/79/504821679.db2.gz MOGTZHWICCOWPI-OAHLLOKOSA-N -1 3 367.449 3.163 20 0 FGADHM CC1(C)[C@H](NC(=O)c2cc(=O)[n-]c(C3CC3)n2)C[C@H]1OCc1ccccc1 ZINC000565194844 504822490 /nfs/dbraw/zinc/82/24/90/504822490.db2.gz LCFVUJWNEVOYCN-IAGOWNOFSA-N -1 3 367.449 3.173 20 0 FGADHM CCC(CC)(CNC(=O)Cc1cncc([O-])c1)c1ccc(OC)c(OC)c1 ZINC000565215365 504827237 /nfs/dbraw/zinc/82/72/37/504827237.db2.gz TWHRZZJXRMRUTM-UHFFFAOYSA-N -1 3 372.465 3.221 20 0 FGADHM CCC(C)(C)[N-]S(=O)(=O)c1cc(Br)c(F)cc1OC ZINC000565233282 504831487 /nfs/dbraw/zinc/83/14/87/504831487.db2.gz FQAZAIIIEIVVJA-UHFFFAOYSA-N -1 3 354.241 3.064 20 0 FGADHM [O-]c1c(-c2nc(CCn3nnc4ccccc43)no2)ccc2c1CCCC2 ZINC000562474682 504831537 /nfs/dbraw/zinc/83/15/37/504831537.db2.gz YIBGIYZUOREBDD-UHFFFAOYSA-N -1 3 361.405 3.308 20 0 FGADHM O=S(=O)([N-]Cc1noc2c1CCCC2)c1ccc2ccccc2c1F ZINC000556291690 504837729 /nfs/dbraw/zinc/83/77/29/504837729.db2.gz PWESEBAQBCYWKL-UHFFFAOYSA-N -1 3 360.410 3.324 20 0 FGADHM Cc1nc2ccc([N-]S(=O)(=O)c3c(C)n(C)c4ccccc43)cc2[nH]1 ZINC000556301975 504840034 /nfs/dbraw/zinc/84/00/34/504840034.db2.gz UFRHYUVNBVMGBW-UHFFFAOYSA-N -1 3 354.435 3.472 20 0 FGADHM C[C@@H](NC(=O)c1c[n-]c2ccncc2c1=O)c1cccc(N2CCCC2)c1 ZINC000553187846 504847990 /nfs/dbraw/zinc/84/79/90/504847990.db2.gz QQEDJRCUCALAIX-CQSZACIVSA-N -1 3 362.433 3.014 20 0 FGADHM Cc1cc(CS(=O)(=O)[N-][C@H](COc2ccccc2)c2ccccc2)no1 ZINC000556365724 504855939 /nfs/dbraw/zinc/85/59/39/504855939.db2.gz ZWBPXFITEJCTGA-LJQANCHMSA-N -1 3 372.446 3.223 20 0 FGADHM COc1cc2nc([N-]C(=O)c3ncc(F)cc3F)sc2cc1OC ZINC000565340079 504858154 /nfs/dbraw/zinc/85/81/54/504858154.db2.gz JKIKEYNDJOZFPT-UHFFFAOYSA-N -1 3 351.334 3.239 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)c2nnn(-c3cccc(C)c3)c2C)c1-c1ccccc1 ZINC000565381813 504870936 /nfs/dbraw/zinc/87/09/36/504870936.db2.gz QLOMKNHPLYDCMT-UHFFFAOYSA-N -1 3 372.432 3.257 20 0 FGADHM O=C(N=c1cc2ccccn2[n-]1)c1cnc(Cc2ccccc2F)s1 ZINC000553315564 504880697 /nfs/dbraw/zinc/88/06/97/504880697.db2.gz MGTIYECKVJTCFR-UHFFFAOYSA-N -1 3 352.394 3.195 20 0 FGADHM Cc1ccc(-c2cnc(NC(=O)c3cc(=O)[n-]c(N(C)C)n3)s2)c(C)c1 ZINC000549731104 504883163 /nfs/dbraw/zinc/88/31/63/504883163.db2.gz CDKNSMFIGHASEY-UHFFFAOYSA-N -1 3 369.450 3.241 20 0 FGADHM O=C(Nc1ccc(NC[C@@H]2CCCO2)c(F)c1)c1cc(C(F)(F)F)n[n-]1 ZINC000549765336 504892035 /nfs/dbraw/zinc/89/20/35/504892035.db2.gz YHGVGAKGVLEDPM-JTQLQIEISA-N -1 3 372.322 3.411 20 0 FGADHM O=C(Nc1ccc(NC[C@@H]2CCCO2)c(F)c1)c1cc(C(F)(F)F)[n-]n1 ZINC000549765336 504892038 /nfs/dbraw/zinc/89/20/38/504892038.db2.gz YHGVGAKGVLEDPM-JTQLQIEISA-N -1 3 372.322 3.411 20 0 FGADHM COC(=O)CCC1CCN(Cc2cccc([O-])c2Br)CC1 ZINC000562679195 504905511 /nfs/dbraw/zinc/90/55/11/504905511.db2.gz HCBBNDAZFWQLGB-UHFFFAOYSA-N -1 3 356.260 3.320 20 0 FGADHM O=S(=O)([N-]CCc1ccc(OCc2ccccc2)cc1)c1ccccn1 ZINC000559655012 504907055 /nfs/dbraw/zinc/90/70/55/504907055.db2.gz GDKKSZSPEWEHPY-UHFFFAOYSA-N -1 3 368.458 3.182 20 0 FGADHM CC(C)n1cnc(S(=O)(=O)[N-][C@@H]2CC[C@H](c3cccc(F)c3)C2)c1 ZINC000565515696 504909348 /nfs/dbraw/zinc/90/93/48/504909348.db2.gz WZVRKEBDAOVXTC-GOEBONIOSA-N -1 3 351.447 3.218 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3ccccc3-c3nc[nH]n3)c[n-]c12 ZINC000553431593 504912667 /nfs/dbraw/zinc/91/26/67/504912667.db2.gz STYINVDQBPZORN-UHFFFAOYSA-N -1 3 363.352 3.013 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/nfs/dbraw/zinc/94/03/95/504940395.db2.gz HJABXUXVLXSOQC-QMTHXVAHSA-N -1 3 352.283 3.131 20 0 FGADHM Cc1nn(C)cc1S(=O)(=O)[N-][C@H](CC(F)(F)F)c1ccccc1C ZINC000553542655 504944923 /nfs/dbraw/zinc/94/49/23/504944923.db2.gz IXOVTTOHDZKOKY-CYBMUJFWSA-N -1 3 361.389 3.009 20 0 FGADHM O=S(=O)([N-]CCc1ccc2[nH]ccc2c1)c1cccnc1C(F)(F)F ZINC000553556885 504948203 /nfs/dbraw/zinc/94/82/03/504948203.db2.gz BWVSWADCPVGPOM-UHFFFAOYSA-N -1 3 369.368 3.103 20 0 FGADHM O=S(=O)([N-]C1CC(C(F)(F)F)C1)c1ccccc1OC(F)(F)F ZINC000553577254 504953702 /nfs/dbraw/zinc/95/37/02/504953702.db2.gz VUUNQHPUMUCEAR-UHFFFAOYSA-N -1 3 363.279 3.204 20 0 FGADHM CCOC(=O)c1ccc(NC(=O)c2ccc(-c3cnco3)cc2)c([O-])c1 ZINC000559935564 504954111 /nfs/dbraw/zinc/95/41/11/504954111.db2.gz VEWPGGFFFHNLQO-UHFFFAOYSA-N -1 3 352.346 3.476 20 0 FGADHM Cc1nc(-c2ccc(NC(=O)N3CCC[C@@H]3[C@H]3CCCO3)cc2)cc(=O)[n-]1 ZINC000559965937 504959725 /nfs/dbraw/zinc/95/97/25/504959725.db2.gz KSIYONFLZXVUPR-QZTJIDSGSA-N -1 3 368.437 3.333 20 0 FGADHM 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O=C(Nc1ccn(-c2ccccc2Cl)n1)c1cc(F)cc2nn[n-]c21 ZINC000503695535 515123978 /nfs/dbraw/zinc/12/39/78/515123978.db2.gz KVQGORIGFWUEDR-UHFFFAOYSA-N -1 3 356.748 3.188 20 0 FGADHM O=C(Nc1ccn(-c2ccccc2Cl)n1)c1cc(F)cc2n[n-]nc21 ZINC000503695535 515123988 /nfs/dbraw/zinc/12/39/88/515123988.db2.gz KVQGORIGFWUEDR-UHFFFAOYSA-N -1 3 356.748 3.188 20 0 FGADHM C[C@@H](NC(=O)N=c1ccc(C(F)(F)F)n[n-]1)[C@@H](c1ccccc1)N(C)C ZINC000481330869 515293623 /nfs/dbraw/zinc/29/36/23/515293623.db2.gz NOSOQZGKYTVJPV-ABAIWWIYSA-N -1 3 367.375 3.308 20 0 FGADHM Cn1[n-]c(=NC(=O)COc2ccc(Cl)cc2Cl)cc1OC(F)F ZINC000490935755 515336701 /nfs/dbraw/zinc/33/67/01/515336701.db2.gz HYPPNJPHMUNKLK-UHFFFAOYSA-N -1 3 366.151 3.346 20 0 FGADHM Cn1[n-]c(=NC(=O)c2cc(F)cc(C(F)(F)F)c2)cc1OC(F)F ZINC000490957252 515342315 /nfs/dbraw/zinc/34/23/15/515342315.db2.gz VOMWRIGHHUJQEP-UHFFFAOYSA-N -1 3 353.222 3.432 20 0 FGADHM Cn1[n-]c(=NC(=O)[C@@H]2C[C@H]2c2ccccc2OC(F)F)cc1OC(F)F ZINC000491040279 515362041 /nfs/dbraw/zinc/36/20/41/515362041.db2.gz VGSCOHMLCCMNLB-VHSXEESVSA-N -1 3 373.306 3.365 20 0 FGADHM CC(C)(C)c1ccccc1NC(=O)C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000472977178 515464356 /nfs/dbraw/zinc/46/43/56/515464356.db2.gz JWOQKWUHEAYGHF-HNNXBMFYSA-N -1 3 356.426 3.136 20 0 FGADHM C[C@H](Cc1ccncc1)NC(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482166821 515594712 /nfs/dbraw/zinc/59/47/12/515594712.db2.gz GFRMVGUXIDWOLE-LLVKDONJSA-N -1 3 374.242 3.245 20 0 FGADHM CC(=O)CCc1ccc(O[C@H](C)C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)cc1 ZINC000473846405 515771773 /nfs/dbraw/zinc/77/17/73/515771773.db2.gz ITBAPVBXMHAZGC-KDOFPFPSSA-N -1 3 371.437 3.189 20 0 FGADHM CC(C)COc1cccc(OCC(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)c1 ZINC000473852004 515775317 /nfs/dbraw/zinc/77/53/17/515775317.db2.gz SPMFRAWIBYOEJS-KRWDZBQOSA-N -1 3 359.426 3.314 20 0 FGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)c1ncccc1Cl ZINC000506100653 515779159 /nfs/dbraw/zinc/77/91/59/515779159.db2.gz FRYGVNJYUCDSHM-UHFFFAOYSA-N -1 3 351.591 3.398 20 0 FGADHM CC(=O)c1ccc(SCC(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)cc1F ZINC000473856003 515779145 /nfs/dbraw/zinc/77/91/45/515779145.db2.gz OJUAIWLSAXGWQS-HNNXBMFYSA-N -1 3 363.414 3.334 20 0 FGADHM Cc1cncc(CCC(=O)N=c2cc3ccc(Br)cn3[n-]2)c1 ZINC000506102101 515782216 /nfs/dbraw/zinc/78/22/16/515782216.db2.gz WXUFXSYHCMPLNM-UHFFFAOYSA-N -1 3 359.227 3.372 20 0 FGADHM CC(C)CCO[C@H](C)C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000511315524 515862714 /nfs/dbraw/zinc/86/27/14/515862714.db2.gz NWNUCXORTKOJHG-LLVKDONJSA-N -1 3 354.248 3.487 20 0 FGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)[C@H]1CC(=O)c2ccccc21 ZINC000511355680 515874664 /nfs/dbraw/zinc/87/46/64/515874664.db2.gz RVLWTXMBEPQISC-AWEZNQCLSA-N -1 3 370.206 3.406 20 0 FGADHM CN(C)[C@@H](CNC(=O)c1csc(=NC2CC2)[n-]1)c1ccccc1Cl ZINC000494790658 515965153 /nfs/dbraw/zinc/96/51/53/515965153.db2.gz ASTUOHOUBARCHB-HNNXBMFYSA-N -1 3 364.902 3.404 20 0 FGADHM C[C@H](CN(C)Cc1ccccc1)NC(=O)N=c1ccc(C(F)(F)F)n[n-]1 ZINC000483853729 516227060 /nfs/dbraw/zinc/22/70/60/516227060.db2.gz VHAFEJFCNJBKJR-GFCCVEGCSA-N -1 3 367.375 3.137 20 0 FGADHM O=C(N=c1cc(-c2cc(Br)ccc2Cl)[n-][nH]1)c1cn[nH]c1 ZINC000531275213 516383252 /nfs/dbraw/zinc/38/32/52/516383252.db2.gz FCEKKSGJOWLQIP-UHFFFAOYSA-N -1 3 366.606 3.468 20 0 FGADHM O=C(N=c1[n-]nc(-c2ccsc2)s1)NC[C@@H]1CCN1C1CCCC1 ZINC000528936322 516810752 /nfs/dbraw/zinc/81/07/52/516810752.db2.gz QHGNRBAIWGAOQG-ZDUSSCGKSA-N -1 3 363.512 3.405 20 0 FGADHM Cn1[n-]c(=NC(=O)N[C@@H]2[C@H]3Cc4cc(Cl)ccc4[C@@H]23)cc1OC(F)F ZINC000529073636 516904320 /nfs/dbraw/zinc/90/43/20/516904320.db2.gz MEBQKFKGXQGBKI-ZLKJLUDKSA-N -1 3 368.771 3.135 20 0 FGADHM COc1cc(C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)ccc1OC(F)F ZINC000527208548 517561995 /nfs/dbraw/zinc/56/19/95/517561995.db2.gz PHDCDNFKOJIISZ-NSHDSACASA-N -1 3 353.325 3.124 20 0 FGADHM NC(=O)[C@H]1CC[C@H](CN=c2ncc3scc(Br)c3[n-]2)CC1 ZINC000516089230 517562823 /nfs/dbraw/zinc/56/28/23/517562823.db2.gz VXCXIQHRPKOSBE-DTORHVGOSA-N -1 3 369.288 3.157 20 0 FGADHM Cc1cc(C(=O)N=c2cc(-c3cccnc3)[n-][nH]2)c(C)n1[C@H]1CCOC1 ZINC000530262746 517664752 /nfs/dbraw/zinc/66/47/52/517664752.db2.gz YYTBCGXZRLWZMY-HNNXBMFYSA-N -1 3 351.410 3.104 20 0 FGADHM O=C(N=c1[nH][n-]cc1Br)[C@H]1[C@@H]2c3cccc(Cl)c3C[C@H]12 ZINC000530269619 517669567 /nfs/dbraw/zinc/66/95/67/517669567.db2.gz XTWULXDLKMGYDZ-XXILOJSOSA-N -1 3 352.619 3.350 20 0 FGADHM CCC(CC)N1C[C@H](C(=O)N=c2[nH][n-]c(C)c2-c2ccc(F)cc2)CC1=O ZINC000530274096 517670485 /nfs/dbraw/zinc/67/04/85/517670485.db2.gz NUCGNLGSPIGUJK-CQSZACIVSA-N -1 3 372.444 3.500 20 0 FGADHM Cc1nn(-c2ccccc2)c(C)c1CC(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000527498978 517711090 /nfs/dbraw/zinc/71/10/90/517711090.db2.gz ARJVNPPWVHRVJW-GOSISDBHSA-N -1 3 365.437 3.245 20 0 FGADHM CCc1ccnc(C(=O)N=c2[nH][n-]c(C)c2-c2ccc3c(c2)OCCO3)c1 ZINC000539371317 518014703 /nfs/dbraw/zinc/01/47/03/518014703.db2.gz UFFLEZOILVYCTO-UHFFFAOYSA-N -1 3 364.405 3.366 20 0 FGADHM CCC(=O)N[C@@H](CCSC)C(=O)N=c1cc(-c2cc(C)cc(C)c2)[n-][nH]1 ZINC000522635232 518138142 /nfs/dbraw/zinc/13/81/42/518138142.db2.gz AVKKAFHKYHZKHP-HNNXBMFYSA-N -1 3 374.510 3.280 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)C2C[C@@H]3COC[C@H](C2)C3=O)c1-c1cccc(Cl)c1 ZINC000608468701 519993031 /nfs/dbraw/zinc/99/30/31/519993031.db2.gz QJQKTLSWTLGBMS-AGUYFDCRSA-N -1 3 373.840 3.219 20 0 FGADHM CCS[C@H]1CCC[C@H](NC(=O)N=c2[n-]n(C)cc2Br)C1 ZINC000603042983 520042957 /nfs/dbraw/zinc/04/29/57/520042957.db2.gz JKZXNBADBUHXFN-UWVGGRQHSA-N -1 3 361.309 3.368 20 0 FGADHM Cc1ccc(C2(C(=O)N=c3cc([C@@H]4CCCO4)[n-][nH]3)CCOCC2)cc1 ZINC000616827122 520163681 /nfs/dbraw/zinc/16/36/81/520163681.db2.gz ZWUGQELHACVFHC-KRWDZBQOSA-N -1 3 355.438 3.257 20 0 FGADHM Cc1c(C(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)cnn1-c1ccc(F)cc1F ZINC000616826734 520164651 /nfs/dbraw/zinc/16/46/51/520164651.db2.gz QMNSRSBWUAORPA-MRXNPFEDSA-N -1 3 373.363 3.286 20 0 FGADHM CSc1nc(C2CC2)nc(C)c1C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000616825808 520165208 /nfs/dbraw/zinc/16/52/08/520165208.db2.gz AZJMOMXJSJYXQS-GFCCVEGCSA-N -1 3 359.455 3.211 20 0 FGADHM Cc1c(C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)cnn1-c1ccccc1C ZINC000616826746 520165223 /nfs/dbraw/zinc/16/52/23/520165223.db2.gz QPUFOKRPZWGVOC-KRWDZBQOSA-N -1 3 351.410 3.316 20 0 FGADHM CCN=c1[n-]c(C(=O)N2CCC[C@@H](Cn3cnc4ccccc43)C2)cs1 ZINC000613609114 520585110 /nfs/dbraw/zinc/58/51/10/520585110.db2.gz MAQLAHHZCTXJQY-CQSZACIVSA-N -1 3 369.494 3.477 20 0 FGADHM CCN=c1[n-]c(C(=O)Nc2cc(OC)c(OC)c(C)c2OC)cs1 ZINC000614308606 520901939 /nfs/dbraw/zinc/90/19/39/520901939.db2.gz MHAIWKIPZDUORL-UHFFFAOYSA-N -1 3 351.428 3.161 20 0 FGADHM O=C(N=c1[n-]nc(Cc2ccccc2)s1)NC[C@H]1CCN1C1CCCC1 ZINC000626207143 522016339 /nfs/dbraw/zinc/01/63/39/522016339.db2.gz OQOLUBBLMUCEMZ-MRXNPFEDSA-N -1 3 371.510 3.267 20 0 FGADHM O=C(N=c1[nH][n-]cc1Br)[C@H]1[C@@H]2c3ccc(Cl)cc3C[C@H]12 ZINC000629992408 522572965 /nfs/dbraw/zinc/57/29/65/522572965.db2.gz RQYAJFBZBUPPJI-MVWJERBFSA-N -1 3 352.619 3.350 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@@H](C)N(C)CC(F)(F)F)c1-c1ccccc1F ZINC000630024353 522587395 /nfs/dbraw/zinc/58/73/95/522587395.db2.gz PBENVKXTBNFCCQ-SNVBAGLBSA-N -1 3 358.339 3.345 20 0 FGADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Br)C1CC2(CC2)C1 ZINC000622887540 523530074 /nfs/dbraw/zinc/53/00/74/523530074.db2.gz ZXNSOCSETOMOAR-UHFFFAOYSA-N -1 3 352.154 3.337 20 0 FGADHM CCC(CC)c1n[n-]c(=NC(=O)NC[C@@]2(N(C)C)CCSC2)s1 ZINC000481787275 561242217 /nfs/dbraw/zinc/24/22/17/561242217.db2.gz LLDUZBNHQNSELQ-HNNXBMFYSA-N -1 3 357.549 3.001 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)c2cccc(S(C)(=O)=O)c2)c1-c1ccccc1 ZINC000522813654 562204119 /nfs/dbraw/zinc/20/41/19/562204119.db2.gz YCHKBFQCKIKTIV-UHFFFAOYSA-N -1 3 355.419 3.041 20 0 FGADHM O=C([O-])[C@H]1CN(CCC(=O)Nc2ccccc2Cl)Cc2ccccc21 ZINC000327187039 568236336 /nfs/dbraw/zinc/23/63/36/568236336.db2.gz CJFIBEKEUIMCIQ-HNNXBMFYSA-N -1 3 358.825 3.353 20 0 FGADHM O=C(N[C@@H]1C[C@H]2C[C@H]2C1)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000644848934 568337804 /nfs/dbraw/zinc/33/78/04/568337804.db2.gz XGHLYAIHAMUUID-QDMKHBRRSA-N -1 3 374.437 3.155 20 0 FGADHM CCOc1ccc([N-]S(=O)(=O)C[C@@H](CC(C)C)OC)cc1OCC ZINC000643268795 568456255 /nfs/dbraw/zinc/45/62/55/568456255.db2.gz JNPQSBAZKRIRPK-OAHLLOKOSA-N -1 3 359.488 3.287 20 0 FGADHM O=C(OCCF)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000738221679 598824061 /nfs/dbraw/zinc/82/40/61/598824061.db2.gz MFLNMBJVORWUAU-UHFFFAOYSA-N -1 3 362.748 3.439 20 0 FGADHM O=C(OCCF)c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000738221679 598824062 /nfs/dbraw/zinc/82/40/62/598824062.db2.gz MFLNMBJVORWUAU-UHFFFAOYSA-N -1 3 362.748 3.439 20 0 FGADHM CCCCSCCC(=O)Oc1c(Cl)cc(-c2nnn[n-]2)cc1OC ZINC000736463835 598829443 /nfs/dbraw/zinc/82/94/43/598829443.db2.gz RHPFWQZPSRGZHJ-UHFFFAOYSA-N -1 3 370.862 3.358 20 0 FGADHM CCCCSCCC(=O)Oc1c(Cl)cc(-c2nn[n-]n2)cc1OC ZINC000736463835 598829444 /nfs/dbraw/zinc/82/94/44/598829444.db2.gz RHPFWQZPSRGZHJ-UHFFFAOYSA-N -1 3 370.862 3.358 20 0 FGADHM Cc1cccc([C@@H](C)C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCC3)c1 ZINC000737385376 598829697 /nfs/dbraw/zinc/82/96/97/598829697.db2.gz RUDCYGUXFXGPTR-LLVKDONJSA-N -1 3 353.451 3.468 20 0 FGADHM Cc1cccc([C@@H](C)C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)c1 ZINC000737385376 598829699 /nfs/dbraw/zinc/82/96/99/598829699.db2.gz RUDCYGUXFXGPTR-LLVKDONJSA-N -1 3 353.451 3.468 20 0 FGADHM CSCCCCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000737180713 598829741 /nfs/dbraw/zinc/82/97/41/598829741.db2.gz BXLGWAVRKJIBRG-UHFFFAOYSA-N -1 3 351.501 3.279 20 0 FGADHM CSCCCCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000737180713 598829742 /nfs/dbraw/zinc/82/97/42/598829742.db2.gz BXLGWAVRKJIBRG-UHFFFAOYSA-N -1 3 351.501 3.279 20 0 FGADHM CSCCCCC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC000737180801 598830865 /nfs/dbraw/zinc/83/08/65/598830865.db2.gz JBAZRDBVMANBSY-UHFFFAOYSA-N -1 3 361.515 3.385 20 0 FGADHM CSCCCCC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC000737180801 598830867 /nfs/dbraw/zinc/83/08/67/598830867.db2.gz JBAZRDBVMANBSY-UHFFFAOYSA-N -1 3 361.515 3.385 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N1CCc2c(Cl)cccc2C1 ZINC000737797490 598834164 /nfs/dbraw/zinc/83/41/64/598834164.db2.gz IXEWNMBFBWJVMZ-HJWRWDBZSA-N -1 3 365.824 3.118 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N1CCc2c(Cl)cccc2C1 ZINC000737797490 598834165 /nfs/dbraw/zinc/83/41/65/598834165.db2.gz IXEWNMBFBWJVMZ-HJWRWDBZSA-N -1 3 365.824 3.118 20 0 FGADHM CC[C@H](OC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000736384186 598843967 /nfs/dbraw/zinc/84/39/67/598843967.db2.gz VXZUKWSBHFTIAW-CJNGLKHVSA-N -1 3 352.394 3.329 20 0 FGADHM CC[C@H](OC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000736384186 598843969 /nfs/dbraw/zinc/84/39/69/598843969.db2.gz VXZUKWSBHFTIAW-CJNGLKHVSA-N -1 3 352.394 3.329 20 0 FGADHM Cc1ocnc1C(=O)OCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000737557331 598846652 /nfs/dbraw/zinc/84/66/52/598846652.db2.gz RYPFHZRLTSIVRE-UHFFFAOYSA-N -1 3 361.361 3.187 20 0 FGADHM Cc1ocnc1C(=O)OCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000737557331 598846653 /nfs/dbraw/zinc/84/66/53/598846653.db2.gz RYPFHZRLTSIVRE-UHFFFAOYSA-N -1 3 361.361 3.187 20 0 FGADHM c1ccc(OCC2CC2)c(CNc2nc3c(cc2-c2nnn[n-]2)CCC3)c1 ZINC000738434625 598856670 /nfs/dbraw/zinc/85/66/70/598856670.db2.gz GPHKZAQJGBMNIS-UHFFFAOYSA-N -1 3 362.437 3.151 20 0 FGADHM c1ccc(OCC2CC2)c(CNc2nc3c(cc2-c2nn[n-]n2)CCC3)c1 ZINC000738434625 598856671 /nfs/dbraw/zinc/85/66/71/598856671.db2.gz GPHKZAQJGBMNIS-UHFFFAOYSA-N -1 3 362.437 3.151 20 0 FGADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)c1nc(Cc2ccc(F)cc2)no1 ZINC000736188087 598859109 /nfs/dbraw/zinc/85/91/09/598859109.db2.gz LDBZKBPKTRVURR-NSHDSACASA-N -1 3 366.356 3.120 20 0 FGADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)c1nc(Cc2ccc(F)cc2)no1 ZINC000736188087 598859110 /nfs/dbraw/zinc/85/91/10/598859110.db2.gz LDBZKBPKTRVURR-NSHDSACASA-N -1 3 366.356 3.120 20 0 FGADHM Cc1nnc(NCCOc2cccc(C(C)(C)C)c2)c(-c2nnn[n-]2)c1C ZINC000737521993 598870495 /nfs/dbraw/zinc/87/04/95/598870495.db2.gz SJEAMNDYMXSFAI-UHFFFAOYSA-N -1 3 367.457 3.062 20 0 FGADHM Cc1nnc(NCCOc2cccc(C(C)(C)C)c2)c(-c2nn[n-]n2)c1C ZINC000737521993 598870496 /nfs/dbraw/zinc/87/04/96/598870496.db2.gz SJEAMNDYMXSFAI-UHFFFAOYSA-N -1 3 367.457 3.062 20 0 FGADHM CCSc1cccc(NC(=O)NCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000736665560 598879695 /nfs/dbraw/zinc/87/96/95/598879695.db2.gz GDIVKTVNPJFDSQ-UHFFFAOYSA-N -1 3 354.439 3.300 20 0 FGADHM CCSc1cccc(NC(=O)NCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000736665560 598879696 /nfs/dbraw/zinc/87/96/96/598879696.db2.gz GDIVKTVNPJFDSQ-UHFFFAOYSA-N -1 3 354.439 3.300 20 0 FGADHM COC(=O)[C@H](NC(CC(C)C)CC(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736896418 598884767 /nfs/dbraw/zinc/88/47/67/598884767.db2.gz NARCANNWTDGBFH-QGZVFWFLSA-N -1 3 359.474 3.131 20 0 FGADHM COC(=O)[C@H](NC(CC(C)C)CC(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736896418 598884768 /nfs/dbraw/zinc/88/47/68/598884768.db2.gz NARCANNWTDGBFH-QGZVFWFLSA-N -1 3 359.474 3.131 20 0 FGADHM CC[C@H](C(=O)O[C@@H](C)COc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000736313539 598884981 /nfs/dbraw/zinc/88/49/81/598884981.db2.gz MTVDCGLIKNULIV-KSSFIOAISA-N -1 3 366.421 3.371 20 0 FGADHM CC[C@H](C(=O)O[C@@H](C)COc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000736313539 598884982 /nfs/dbraw/zinc/88/49/82/598884982.db2.gz MTVDCGLIKNULIV-KSSFIOAISA-N -1 3 366.421 3.371 20 0 FGADHM C[C@@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)c1ccc(Cl)cc1 ZINC000736041533 598885236 /nfs/dbraw/zinc/88/52/36/598885236.db2.gz XJYALXRKXYJJNB-NSHDSACASA-N -1 3 358.785 3.144 20 0 FGADHM C[C@@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)c1ccc(Cl)cc1 ZINC000736041533 598885237 /nfs/dbraw/zinc/88/52/37/598885237.db2.gz XJYALXRKXYJJNB-NSHDSACASA-N -1 3 358.785 3.144 20 0 FGADHM C[C@@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)C=Cc1cccc(F)c1 ZINC000736038771 598887880 /nfs/dbraw/zinc/88/78/80/598887880.db2.gz XJXJBNYCNFWSNK-YXVBKTCISA-N -1 3 368.368 3.030 20 0 FGADHM C[C@@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)C=Cc1cccc(F)c1 ZINC000736038771 598887882 /nfs/dbraw/zinc/88/78/82/598887882.db2.gz XJXJBNYCNFWSNK-YXVBKTCISA-N -1 3 368.368 3.030 20 0 FGADHM O=C(Cc1c[nH]c2ccc(Cl)cc12)OCc1cccc(-c2nnn[n-]2)c1 ZINC000737954417 598902575 /nfs/dbraw/zinc/90/25/75/598902575.db2.gz LOSIGJGDEQDYQG-UHFFFAOYSA-N -1 3 367.796 3.287 20 0 FGADHM O=C(Cc1c[nH]c2ccc(Cl)cc12)OCc1cccc(-c2nn[n-]n2)c1 ZINC000737954417 598902576 /nfs/dbraw/zinc/90/25/76/598902576.db2.gz LOSIGJGDEQDYQG-UHFFFAOYSA-N -1 3 367.796 3.287 20 0 FGADHM C[C@](O)(CNc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccc(F)cc1F ZINC000736144493 598915604 /nfs/dbraw/zinc/91/56/04/598915604.db2.gz ZNFRFOUFHOHCRB-INIZCTEOSA-N -1 3 365.771 3.118 20 0 FGADHM C[C@](O)(CNc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc(F)cc1F ZINC000736144493 598915606 /nfs/dbraw/zinc/91/56/06/598915606.db2.gz ZNFRFOUFHOHCRB-INIZCTEOSA-N -1 3 365.771 3.118 20 0 FGADHM O=C1[C@H](Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CCCN1c1ccccc1 ZINC000738298922 598916116 /nfs/dbraw/zinc/91/61/16/598916116.db2.gz ZOZMYBAVWCCYHF-MRXNPFEDSA-N -1 3 368.828 3.128 20 0 FGADHM O=C1[C@H](Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CCCN1c1ccccc1 ZINC000738298922 598916117 /nfs/dbraw/zinc/91/61/17/598916117.db2.gz ZOZMYBAVWCCYHF-MRXNPFEDSA-N -1 3 368.828 3.128 20 0 FGADHM C[C@H]1CCCCCN1C(=O)NCCSCc1ccccc1-c1nnn[n-]1 ZINC000736265778 598920187 /nfs/dbraw/zinc/92/01/87/598920187.db2.gz CVHXNRAZDOAFOH-AWEZNQCLSA-N -1 3 374.514 3.074 20 0 FGADHM C[C@H]1CCCCCN1C(=O)NCCSCc1ccccc1-c1nn[n-]n1 ZINC000736265778 598920188 /nfs/dbraw/zinc/92/01/88/598920188.db2.gz CVHXNRAZDOAFOH-AWEZNQCLSA-N -1 3 374.514 3.074 20 0 FGADHM CCc1cc(=O)oc2cc(Oc3ncc(-c4nnn[n-]4)cc3Cl)ccc12 ZINC000736679521 598935056 /nfs/dbraw/zinc/93/50/56/598935056.db2.gz WLESDCRTRNBEQO-UHFFFAOYSA-N -1 3 369.768 3.376 20 0 FGADHM CCc1cc(=O)oc2cc(Oc3ncc(-c4nn[n-]n4)cc3Cl)ccc12 ZINC000736679521 598935058 /nfs/dbraw/zinc/93/50/58/598935058.db2.gz WLESDCRTRNBEQO-UHFFFAOYSA-N -1 3 369.768 3.376 20 0 FGADHM Fc1cc(Nc2ncc(-c3nnn[n-]3)cc2Cl)ccc1OC(F)F ZINC000737650122 598939085 /nfs/dbraw/zinc/93/90/85/598939085.db2.gz GEDQONAQDMNHJR-UHFFFAOYSA-N -1 3 356.695 3.399 20 0 FGADHM Fc1cc(Nc2ncc(-c3nn[n-]n3)cc2Cl)ccc1OC(F)F ZINC000737650122 598939086 /nfs/dbraw/zinc/93/90/86/598939086.db2.gz GEDQONAQDMNHJR-UHFFFAOYSA-N -1 3 356.695 3.399 20 0 FGADHM O=C(N[C@H]1C[C@@H]1c1c(F)cccc1Cl)c1sccc1-c1nnn[n-]1 ZINC000738018915 598941650 /nfs/dbraw/zinc/94/16/50/598941650.db2.gz FKGVLUNOQIUKMT-KWQFWETISA-N -1 3 363.805 3.007 20 0 FGADHM O=C(N[C@H]1C[C@@H]1c1c(F)cccc1Cl)c1sccc1-c1nn[n-]n1 ZINC000738018915 598941652 /nfs/dbraw/zinc/94/16/52/598941652.db2.gz FKGVLUNOQIUKMT-KWQFWETISA-N -1 3 363.805 3.007 20 0 FGADHM CC[C@@H](NC(=O)CCc1ccc(-c2nnn[n-]2)cc1)c1cc(F)ccc1F ZINC000736357906 598944129 /nfs/dbraw/zinc/94/41/29/598944129.db2.gz QDALROVCZBXSFH-QGZVFWFLSA-N -1 3 371.391 3.345 20 0 FGADHM CC[C@@H](NC(=O)CCc1ccc(-c2nn[n-]n2)cc1)c1cc(F)ccc1F ZINC000736357906 598944131 /nfs/dbraw/zinc/94/41/31/598944131.db2.gz QDALROVCZBXSFH-QGZVFWFLSA-N -1 3 371.391 3.345 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)Oc1ccc2ccccc2c1 ZINC000737301425 598947480 /nfs/dbraw/zinc/94/74/80/598947480.db2.gz MRUGMOUEFVNJRR-UHFFFAOYSA-N -1 3 366.402 3.096 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)Oc1ccc2ccccc2c1 ZINC000737301425 598947481 /nfs/dbraw/zinc/94/74/81/598947481.db2.gz MRUGMOUEFVNJRR-UHFFFAOYSA-N -1 3 366.402 3.096 20 0 FGADHM CC[C@@H](C)OC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000736327698 598967844 /nfs/dbraw/zinc/96/78/44/598967844.db2.gz SSNMSDUTBLCBJX-CYBMUJFWSA-N -1 3 352.394 3.401 20 0 FGADHM CC[C@@H](C)OC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000736327698 598967845 /nfs/dbraw/zinc/96/78/45/598967845.db2.gz SSNMSDUTBLCBJX-CYBMUJFWSA-N -1 3 352.394 3.401 20 0 FGADHM Cc1c(NCC(=O)Nc2ccc(F)cc2Cl)cccc1-c1nnn[n-]1 ZINC000822122556 607255755 /nfs/dbraw/zinc/25/57/55/607255755.db2.gz NUQPKULJCWYPTC-UHFFFAOYSA-N -1 3 360.780 3.018 20 0 FGADHM Cc1c(NCC(=O)Nc2ccc(F)cc2Cl)cccc1-c1nn[n-]n1 ZINC000822122556 607255756 /nfs/dbraw/zinc/25/57/56/607255756.db2.gz NUQPKULJCWYPTC-UHFFFAOYSA-N -1 3 360.780 3.018 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NCc1ccc2ccccc2n1 ZINC000737295776 598973380 /nfs/dbraw/zinc/97/33/80/598973380.db2.gz ZTVIVAHUXHISRK-UHFFFAOYSA-N -1 3 359.393 3.045 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NCc1ccc2ccccc2n1 ZINC000737295776 598973382 /nfs/dbraw/zinc/97/33/82/598973382.db2.gz ZTVIVAHUXHISRK-UHFFFAOYSA-N -1 3 359.393 3.045 20 0 FGADHM C[C@H]1C[C@@H](c2ccccc2)CN1C(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000736234186 598977322 /nfs/dbraw/zinc/97/73/22/598977322.db2.gz IMSBDRPZBSGEPP-DZGCQCFKSA-N -1 3 364.478 3.442 20 0 FGADHM C[C@H]1C[C@@H](c2ccccc2)CN1C(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000736234186 598977324 /nfs/dbraw/zinc/97/73/24/598977324.db2.gz IMSBDRPZBSGEPP-DZGCQCFKSA-N -1 3 364.478 3.442 20 0 FGADHM O=C(Cc1c[nH]c2ccc(F)cc12)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000737954182 598986874 /nfs/dbraw/zinc/98/68/74/598986874.db2.gz IIDFIWRCXXAHJH-UHFFFAOYSA-N -1 3 370.775 3.322 20 0 FGADHM O=C(Cc1c[nH]c2ccc(F)cc12)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000737954182 598986875 /nfs/dbraw/zinc/98/68/75/598986875.db2.gz IIDFIWRCXXAHJH-UHFFFAOYSA-N -1 3 370.775 3.322 20 0 FGADHM CC[C@H](C)N(C)C(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736323274 598989146 /nfs/dbraw/zinc/98/91/46/598989146.db2.gz WIFHSKWWFYYHQU-AWEZNQCLSA-N -1 3 365.437 3.316 20 0 FGADHM Cc1ccc(Cl)cc1NC(=O)CNc1cccc(-c2nnn[n-]2)c1C ZINC000822239941 607256846 /nfs/dbraw/zinc/25/68/46/607256846.db2.gz LHXQBOGDZWJQOZ-UHFFFAOYSA-N -1 3 356.817 3.188 20 0 FGADHM Cc1ccc(Cl)cc1NC(=O)CNc1cccc(-c2nn[n-]n2)c1C ZINC000822239941 607256847 /nfs/dbraw/zinc/25/68/47/607256847.db2.gz LHXQBOGDZWJQOZ-UHFFFAOYSA-N -1 3 356.817 3.188 20 0 FGADHM Cc1ccccc1N(C(C)C)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000737435868 599006189 /nfs/dbraw/zinc/00/61/89/599006189.db2.gz LTWXITSNZALKOS-UHFFFAOYSA-N -1 3 371.466 3.087 20 0 FGADHM Cc1ccccc1N(C(C)C)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000737435868 599006191 /nfs/dbraw/zinc/00/61/91/599006191.db2.gz LTWXITSNZALKOS-UHFFFAOYSA-N -1 3 371.466 3.087 20 0 FGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)C[C@@H]1CCc2ccccc21 ZINC000735659783 599014794 /nfs/dbraw/zinc/01/47/94/599014794.db2.gz FCJULPAVWLYFOS-AWEZNQCLSA-N -1 3 364.453 3.482 20 0 FGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)C[C@@H]1CCc2ccccc21 ZINC000735659783 599014796 /nfs/dbraw/zinc/01/47/96/599014796.db2.gz FCJULPAVWLYFOS-AWEZNQCLSA-N -1 3 364.453 3.482 20 0 FGADHM CC[C@H](NC(=S)NCc1ccc(-c2nnn[n-]2)cc1)c1cccs1 ZINC000736370764 599014081 /nfs/dbraw/zinc/01/40/81/599014081.db2.gz OVWBHGKNUPRJME-ZDUSSCGKSA-N -1 3 358.496 3.044 20 0 FGADHM CC[C@H](NC(=S)NCc1ccc(-c2nn[n-]n2)cc1)c1cccs1 ZINC000736370764 599014083 /nfs/dbraw/zinc/01/40/83/599014083.db2.gz OVWBHGKNUPRJME-ZDUSSCGKSA-N -1 3 358.496 3.044 20 0 FGADHM CC(C)CC[C@H](NC(=O)COc1ccccc1-c1nnn[n-]1)C(C)(C)C ZINC000735797157 599016686 /nfs/dbraw/zinc/01/66/86/599016686.db2.gz LZLZKFWRKJVKSK-INIZCTEOSA-N -1 3 359.474 3.213 20 0 FGADHM CC(C)CC[C@H](NC(=O)COc1ccccc1-c1nn[n-]n1)C(C)(C)C ZINC000735797157 599016688 /nfs/dbraw/zinc/01/66/88/599016688.db2.gz LZLZKFWRKJVKSK-INIZCTEOSA-N -1 3 359.474 3.213 20 0 FGADHM Cc1c(NCc2c(F)c(F)c(F)c(F)c2F)cccc1-c1nnn[n-]1 ZINC000822121320 607257684 /nfs/dbraw/zinc/25/76/84/607257684.db2.gz DRLYLRLRTFEXNB-UHFFFAOYSA-N -1 3 355.270 3.483 20 0 FGADHM Cc1c(NCc2c(F)c(F)c(F)c(F)c2F)cccc1-c1nn[n-]n1 ZINC000822121320 607257685 /nfs/dbraw/zinc/25/76/85/607257685.db2.gz DRLYLRLRTFEXNB-UHFFFAOYSA-N -1 3 355.270 3.483 20 0 FGADHM C[C@H](Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)c1nc2ccccc2[nH]1 ZINC000736135591 599048342 /nfs/dbraw/zinc/04/83/42/599048342.db2.gz CAOAOBDBEQERFL-QMMMGPOBSA-N -1 3 374.330 3.330 20 0 FGADHM C[C@H](Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)c1nc2ccccc2[nH]1 ZINC000736135591 599048346 /nfs/dbraw/zinc/04/83/46/599048346.db2.gz CAOAOBDBEQERFL-QMMMGPOBSA-N -1 3 374.330 3.330 20 0 FGADHM C[C@H](CNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)Oc1ccccc1 ZINC000736027217 599055722 /nfs/dbraw/zinc/05/57/22/599055722.db2.gz ZQDVATJIEQSIKN-SNVBAGLBSA-N -1 3 364.331 3.160 20 0 FGADHM C[C@H](CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)Oc1ccccc1 ZINC000736027217 599055725 /nfs/dbraw/zinc/05/57/25/599055725.db2.gz ZQDVATJIEQSIKN-SNVBAGLBSA-N -1 3 364.331 3.160 20 0 FGADHM C[C@H](NC(=O)Nc1cc(F)c(F)c(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736118753 599057445 /nfs/dbraw/zinc/05/74/45/599057445.db2.gz VULCKTCGRAXFLF-QMMMGPOBSA-N -1 3 362.315 3.167 20 0 FGADHM C[C@H](NC(=O)Nc1cc(F)c(F)c(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736118753 599057447 /nfs/dbraw/zinc/05/74/47/599057447.db2.gz VULCKTCGRAXFLF-QMMMGPOBSA-N -1 3 362.315 3.167 20 0 FGADHM Brc1cccc(C2(CNc3ncccc3-c3nnn[n-]3)CC2)c1 ZINC000735369798 599057491 /nfs/dbraw/zinc/05/74/91/599057491.db2.gz WTEXQPYHSGEJGF-UHFFFAOYSA-N -1 3 371.242 3.168 20 0 FGADHM Brc1cccc(C2(CNc3ncccc3-c3nn[n-]n3)CC2)c1 ZINC000735369798 599057494 /nfs/dbraw/zinc/05/74/94/599057494.db2.gz WTEXQPYHSGEJGF-UHFFFAOYSA-N -1 3 371.242 3.168 20 0 FGADHM Fc1cccc(NCc2nc(-c3cccc(Cl)c3)no2)c1-c1nnn[n-]1 ZINC000737663451 599059713 /nfs/dbraw/zinc/05/97/13/599059713.db2.gz ILSFKVMKYGFMCI-UHFFFAOYSA-N -1 3 371.763 3.321 20 0 FGADHM Fc1cccc(NCc2nc(-c3cccc(Cl)c3)no2)c1-c1nn[n-]n1 ZINC000737663451 599059714 /nfs/dbraw/zinc/05/97/14/599059714.db2.gz ILSFKVMKYGFMCI-UHFFFAOYSA-N -1 3 371.763 3.321 20 0 FGADHM Cc1cccc2c(CC(=O)OCc3ccc(F)cc3-c3nnn[n-]3)c[nH]c21 ZINC000737410394 599058877 /nfs/dbraw/zinc/05/88/77/599058877.db2.gz SLUNNXWMWVESCJ-UHFFFAOYSA-N -1 3 365.368 3.081 20 0 FGADHM Cc1cccc2c(CC(=O)OCc3ccc(F)cc3-c3nn[n-]n3)c[nH]c21 ZINC000737410394 599058880 /nfs/dbraw/zinc/05/88/80/599058880.db2.gz SLUNNXWMWVESCJ-UHFFFAOYSA-N -1 3 365.368 3.081 20 0 FGADHM C[C@@H](CNc1nc2c(cc1-c1nnn[n-]1)CCC2)Oc1ccccc1Cl ZINC000820281230 599063981 /nfs/dbraw/zinc/06/39/81/599063981.db2.gz UGOXCRLPNLNHFQ-NSHDSACASA-N -1 3 370.844 3.283 20 0 FGADHM C[C@@H](CNc1nc2c(cc1-c1nn[n-]n1)CCC2)Oc1ccccc1Cl ZINC000820281230 599063984 /nfs/dbraw/zinc/06/39/84/599063984.db2.gz UGOXCRLPNLNHFQ-NSHDSACASA-N -1 3 370.844 3.283 20 0 FGADHM Cc1ccnc(-c2cccc(NCc3ccc(-c4nnn[n-]4)cc3F)c2)n1 ZINC000737437363 599066072 /nfs/dbraw/zinc/06/60/72/599066072.db2.gz OQZGNYAPWXEKKL-UHFFFAOYSA-N -1 3 361.384 3.383 20 0 FGADHM Cc1ccnc(-c2cccc(NCc3ccc(-c4nn[n-]n4)cc3F)c2)n1 ZINC000737437363 599066075 /nfs/dbraw/zinc/06/60/75/599066075.db2.gz OQZGNYAPWXEKKL-UHFFFAOYSA-N -1 3 361.384 3.383 20 0 FGADHM C[C@@H](NC(=O)[C@H](C)Sc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000736194223 599066949 /nfs/dbraw/zinc/06/69/49/599066949.db2.gz YDYLEXCVTXELBR-NEPJUHHUSA-N -1 3 371.441 3.364 20 0 FGADHM C[C@@H](NC(=O)[C@H](C)Sc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000736194223 599066952 /nfs/dbraw/zinc/06/69/52/599066952.db2.gz YDYLEXCVTXELBR-NEPJUHHUSA-N -1 3 371.441 3.364 20 0 FGADHM Cc1cccc(F)c1CNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000822309169 599068474 /nfs/dbraw/zinc/06/84/74/599068474.db2.gz OIMPHRPUEOFYBZ-UHFFFAOYSA-N -1 3 352.295 3.340 20 0 FGADHM Cc1cccc(F)c1CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000822309169 599068475 /nfs/dbraw/zinc/06/84/75/599068475.db2.gz OIMPHRPUEOFYBZ-UHFFFAOYSA-N -1 3 352.295 3.340 20 0 FGADHM CS[C@@H]1CC[C@H](Nc2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)C1 ZINC000821951355 599073433 /nfs/dbraw/zinc/07/34/33/599073433.db2.gz XJNONTYWUJDWMZ-VHSXEESVSA-N -1 3 362.409 3.389 20 0 FGADHM CS[C@@H]1CC[C@H](Nc2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)C1 ZINC000821951355 599073436 /nfs/dbraw/zinc/07/34/36/599073436.db2.gz XJNONTYWUJDWMZ-VHSXEESVSA-N -1 3 362.409 3.389 20 0 FGADHM Cc1ccc([C@@H]2CCCCN2C(=O)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737330897 599083177 /nfs/dbraw/zinc/08/31/77/599083177.db2.gz OEPNZFMSWALKCG-IBGZPJMESA-N -1 3 361.449 3.471 20 0 FGADHM Cc1ccc([C@@H]2CCCCN2C(=O)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737330897 599083180 /nfs/dbraw/zinc/08/31/80/599083180.db2.gz OEPNZFMSWALKCG-IBGZPJMESA-N -1 3 361.449 3.471 20 0 FGADHM O=C(Nc1ccc(CC(F)(F)F)cc1)c1sccc1-c1nnn[n-]1 ZINC000738158294 599083333 /nfs/dbraw/zinc/08/33/33/599083333.db2.gz CXEYDUTUWDAJCY-UHFFFAOYSA-N -1 3 353.329 3.285 20 0 FGADHM O=C(Nc1ccc(CC(F)(F)F)cc1)c1sccc1-c1nn[n-]n1 ZINC000738158294 599083336 /nfs/dbraw/zinc/08/33/36/599083336.db2.gz CXEYDUTUWDAJCY-UHFFFAOYSA-N -1 3 353.329 3.285 20 0 FGADHM O=C(c1ccc(-c2nnn[n-]2)cc1)N(Cc1ccoc1)C1CCCCC1 ZINC000738254238 599086271 /nfs/dbraw/zinc/08/62/71/599086271.db2.gz JNVQRLFPQVQRNO-UHFFFAOYSA-N -1 3 351.410 3.435 20 0 FGADHM O=C(c1ccc(-c2nn[n-]n2)cc1)N(Cc1ccoc1)C1CCCCC1 ZINC000738254238 599086273 /nfs/dbraw/zinc/08/62/73/599086273.db2.gz JNVQRLFPQVQRNO-UHFFFAOYSA-N -1 3 351.410 3.435 20 0 FGADHM C[C@@H]1CCC[C@H](C)N(C(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)C1 ZINC000736244555 599086783 /nfs/dbraw/zinc/08/67/83/599086783.db2.gz KCDMNIYZLSGWDB-CVEARBPZSA-N -1 3 371.485 3.453 20 0 FGADHM C[C@@H]1CCC[C@H](C)N(C(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)C1 ZINC000736244555 599086786 /nfs/dbraw/zinc/08/67/86/599086786.db2.gz KCDMNIYZLSGWDB-CVEARBPZSA-N -1 3 371.485 3.453 20 0 FGADHM CC[C@](C)(NC(=O)CCc1ccc(-c2nnn[n-]2)cc1)c1nc(C)cs1 ZINC000736316702 599088432 /nfs/dbraw/zinc/08/84/32/599088432.db2.gz ZAODNLRZQHQLGW-SFHVURJKSA-N -1 3 370.482 3.006 20 0 FGADHM CC[C@](C)(NC(=O)CCc1ccc(-c2nn[n-]n2)cc1)c1nc(C)cs1 ZINC000736316702 599088434 /nfs/dbraw/zinc/08/84/34/599088434.db2.gz ZAODNLRZQHQLGW-SFHVURJKSA-N -1 3 370.482 3.006 20 0 FGADHM CC[C@@H]1CN(c2c(-c3nnn[n-]3)cnc3c(C)cc(F)cc32)CCS1 ZINC000820995357 599102042 /nfs/dbraw/zinc/10/20/42/599102042.db2.gz QGOIBOPSLKOHDD-GFCCVEGCSA-N -1 3 358.446 3.194 20 0 FGADHM CC[C@@H]1CN(c2c(-c3nn[n-]n3)cnc3c(C)cc(F)cc32)CCS1 ZINC000820995357 599102043 /nfs/dbraw/zinc/10/20/43/599102043.db2.gz QGOIBOPSLKOHDD-GFCCVEGCSA-N -1 3 358.446 3.194 20 0 FGADHM C[C@H]1CCC[C@@H](CCNC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000736254375 599106021 /nfs/dbraw/zinc/10/60/21/599106021.db2.gz YWULZPLVUWYTHV-STQMWFEESA-N -1 3 360.437 3.021 20 0 FGADHM C[C@H]1CCC[C@@H](CCNC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000736254375 599106023 /nfs/dbraw/zinc/10/60/23/599106023.db2.gz YWULZPLVUWYTHV-STQMWFEESA-N -1 3 360.437 3.021 20 0 FGADHM COc1ccc2c(CSc3ccccc3-c3nnn[n-]3)cc(=O)oc2c1 ZINC000737114848 599110411 /nfs/dbraw/zinc/11/04/11/599110411.db2.gz MUFABEDUJZEXTC-UHFFFAOYSA-N -1 3 366.402 3.274 20 0 FGADHM COc1ccc2c(CSc3ccccc3-c3nn[n-]n3)cc(=O)oc2c1 ZINC000737114848 599110412 /nfs/dbraw/zinc/11/04/12/599110412.db2.gz MUFABEDUJZEXTC-UHFFFAOYSA-N -1 3 366.402 3.274 20 0 FGADHM c1cncc(-c2ccc(CNc3nc4c(cc3-c3nnn[n-]3)CCC4)cc2)c1 ZINC000823816326 599112189 /nfs/dbraw/zinc/11/21/89/599112189.db2.gz TVGHYCHRRSZLLF-UHFFFAOYSA-N -1 3 369.432 3.425 20 0 FGADHM c1cncc(-c2ccc(CNc3nc4c(cc3-c3nn[n-]n3)CCC4)cc2)c1 ZINC000823816326 599112190 /nfs/dbraw/zinc/11/21/90/599112190.db2.gz TVGHYCHRRSZLLF-UHFFFAOYSA-N -1 3 369.432 3.425 20 0 FGADHM C/C=C\COC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736304714 599129107 /nfs/dbraw/zinc/12/91/07/599129107.db2.gz QOZHUGFJQVBECM-IHWYPQMZSA-N -1 3 350.378 3.179 20 0 FGADHM CN(Cc1ncc(-c2ccccc2F)o1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736817529 599131372 /nfs/dbraw/zinc/13/13/72/599131372.db2.gz CGBYVGOZEDMQOF-UHFFFAOYSA-N -1 3 364.384 3.293 20 0 FGADHM CN(Cc1ncc(-c2ccccc2F)o1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736817529 599131374 /nfs/dbraw/zinc/13/13/74/599131374.db2.gz CGBYVGOZEDMQOF-UHFFFAOYSA-N -1 3 364.384 3.293 20 0 FGADHM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820938445 599137359 /nfs/dbraw/zinc/13/73/59/599137359.db2.gz IXCGHUMVFBWFLL-JFTQMJAMSA-N -1 3 371.485 3.418 20 0 FGADHM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820938445 599137360 /nfs/dbraw/zinc/13/73/60/599137360.db2.gz IXCGHUMVFBWFLL-JFTQMJAMSA-N -1 3 371.485 3.418 20 0 FGADHM CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000820938008 599139490 /nfs/dbraw/zinc/13/94/90/599139490.db2.gz GLLACIYEXPJORM-WBAXXEDZSA-N -1 3 371.485 3.199 20 0 FGADHM CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000820938008 599139492 /nfs/dbraw/zinc/13/94/92/599139492.db2.gz GLLACIYEXPJORM-WBAXXEDZSA-N -1 3 371.485 3.199 20 0 FGADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@]1(C)CCc2ccccc2C1 ZINC000821608384 599140513 /nfs/dbraw/zinc/14/05/13/599140513.db2.gz DRVUNLRWOCMSBB-NRFANRHFSA-N -1 3 361.449 3.020 20 0 FGADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@]1(C)CCc2ccccc2C1 ZINC000821608384 599140514 /nfs/dbraw/zinc/14/05/14/599140514.db2.gz DRVUNLRWOCMSBB-NRFANRHFSA-N -1 3 361.449 3.020 20 0 FGADHM C[C@@H](CCc1cccc(F)c1)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000820252728 599152864 /nfs/dbraw/zinc/15/28/64/599152864.db2.gz CLALHHVOZYBKSM-LBPRGKRZSA-N -1 3 371.391 3.030 20 0 FGADHM C[C@@H](CCc1cccc(F)c1)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000820252728 599152867 /nfs/dbraw/zinc/15/28/67/599152867.db2.gz CLALHHVOZYBKSM-LBPRGKRZSA-N -1 3 371.391 3.030 20 0 FGADHM Cc1cc2cc(C(=O)NCc3ccc(-c4nnn[n-]4)cc3F)oc2cc1C ZINC000822212743 599153389 /nfs/dbraw/zinc/15/33/89/599153389.db2.gz FVUKTSVESHSXQE-UHFFFAOYSA-N -1 3 365.368 3.299 20 0 FGADHM Cc1cc2cc(C(=O)NCc3ccc(-c4nn[n-]n4)cc3F)oc2cc1C ZINC000822212743 599153393 /nfs/dbraw/zinc/15/33/93/599153393.db2.gz FVUKTSVESHSXQE-UHFFFAOYSA-N -1 3 365.368 3.299 20 0 FGADHM Fc1ccc(OCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)c(Cl)c1 ZINC000737656047 599160011 /nfs/dbraw/zinc/16/00/11/599160011.db2.gz HBAOBVAJGSJZEV-UHFFFAOYSA-N -1 3 372.747 3.288 20 0 FGADHM Fc1ccc(OCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)c(Cl)c1 ZINC000737656047 599160012 /nfs/dbraw/zinc/16/00/12/599160012.db2.gz HBAOBVAJGSJZEV-UHFFFAOYSA-N -1 3 372.747 3.288 20 0 FGADHM CC[C@H](C)C[C@@H](C)NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000820870339 599160482 /nfs/dbraw/zinc/16/04/82/599160482.db2.gz QSIZFHWBLFFNSD-LSDHHAIUSA-N -1 3 359.474 3.357 20 0 FGADHM CC[C@H](C)C[C@@H](C)NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000820870339 599160484 /nfs/dbraw/zinc/16/04/84/599160484.db2.gz QSIZFHWBLFFNSD-LSDHHAIUSA-N -1 3 359.474 3.357 20 0 FGADHM CCc1cc(NC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)n(C)n1 ZINC000736677803 599163043 /nfs/dbraw/zinc/16/30/43/599163043.db2.gz OBFOIVFHNJJCCL-UHFFFAOYSA-N -1 3 373.420 3.082 20 0 FGADHM CCc1cc(NC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)n(C)n1 ZINC000736677803 599163046 /nfs/dbraw/zinc/16/30/46/599163046.db2.gz OBFOIVFHNJJCCL-UHFFFAOYSA-N -1 3 373.420 3.082 20 0 FGADHM CC[C@H](Sc1ccccc1)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000820937792 599163548 /nfs/dbraw/zinc/16/35/48/599163548.db2.gz DBOYOTYALYROKX-INIZCTEOSA-N -1 3 371.441 3.193 20 0 FGADHM CC[C@H](Sc1ccccc1)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000820937792 599163551 /nfs/dbraw/zinc/16/35/51/599163551.db2.gz DBOYOTYALYROKX-INIZCTEOSA-N -1 3 371.441 3.193 20 0 FGADHM CC(C)[C@@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(=O)NC1CCCC1 ZINC000735734859 599168663 /nfs/dbraw/zinc/16/86/63/599168663.db2.gz KFIVISCAUOXXQV-OAHLLOKOSA-N -1 3 363.462 3.181 20 0 FGADHM CC(C)[C@@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(=O)NC1CCCC1 ZINC000735734859 599168664 /nfs/dbraw/zinc/16/86/64/599168664.db2.gz KFIVISCAUOXXQV-OAHLLOKOSA-N -1 3 363.462 3.181 20 0 FGADHM C[C@@H](CSc1ccccc1)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000820292757 599174083 /nfs/dbraw/zinc/17/40/83/599174083.db2.gz GLIGNZHPKVAJRM-LBPRGKRZSA-N -1 3 371.441 3.050 20 0 FGADHM Fc1cccc(N2CCC[C@H](Nc3ncc(-c4nnn[n-]4)cc3Cl)C2)c1 ZINC000737662236 599172027 /nfs/dbraw/zinc/17/20/27/599172027.db2.gz SCTVCZBZYGJTMB-ZDUSSCGKSA-N -1 3 373.823 3.135 20 0 FGADHM Fc1cccc(N2CCC[C@H](Nc3ncc(-c4nn[n-]n4)cc3Cl)C2)c1 ZINC000737662236 599172029 /nfs/dbraw/zinc/17/20/29/599172029.db2.gz SCTVCZBZYGJTMB-ZDUSSCGKSA-N -1 3 373.823 3.135 20 0 FGADHM Cc1ccc(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2F)c(F)c1 ZINC000737357684 599173688 /nfs/dbraw/zinc/17/36/88/599173688.db2.gz RETYALCXTHMYAS-UHFFFAOYSA-N -1 3 361.377 3.184 20 0 FGADHM Cc1ccc(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2F)c(F)c1 ZINC000737357684 599173691 /nfs/dbraw/zinc/17/36/91/599173691.db2.gz RETYALCXTHMYAS-UHFFFAOYSA-N -1 3 361.377 3.184 20 0 FGADHM C[C@@H](CSc1ccccc1)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000820292757 599174080 /nfs/dbraw/zinc/17/40/80/599174080.db2.gz GLIGNZHPKVAJRM-LBPRGKRZSA-N -1 3 371.441 3.050 20 0 FGADHM Cc1c2cc(F)ccc2oc1C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822021118 599176131 /nfs/dbraw/zinc/17/61/31/599176131.db2.gz WLQXHCSJWJWHHZ-UHFFFAOYSA-N -1 3 369.331 3.130 20 0 FGADHM Cc1c2cc(F)ccc2oc1C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822021118 599176133 /nfs/dbraw/zinc/17/61/33/599176133.db2.gz WLQXHCSJWJWHHZ-UHFFFAOYSA-N -1 3 369.331 3.130 20 0 FGADHM COc1ccc(C(=O)Oc2c(Cl)cc(-c3nnn[n-]3)cc2OC)c(C)c1 ZINC000737071671 599179827 /nfs/dbraw/zinc/17/98/27/599179827.db2.gz LJAZTBFTKAPGGC-UHFFFAOYSA-N -1 3 374.784 3.065 20 0 FGADHM COc1ccc(C(=O)Oc2c(Cl)cc(-c3nn[n-]n3)cc2OC)c(C)c1 ZINC000737071671 599179829 /nfs/dbraw/zinc/17/98/29/599179829.db2.gz LJAZTBFTKAPGGC-UHFFFAOYSA-N -1 3 374.784 3.065 20 0 FGADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)c1cc2sccc2s1 ZINC000823242389 599182409 /nfs/dbraw/zinc/18/24/09/599182409.db2.gz XTFDLYJVWNENPS-UHFFFAOYSA-N -1 3 359.411 3.212 20 0 FGADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)c1cc2sccc2s1 ZINC000823242389 599182410 /nfs/dbraw/zinc/18/24/10/599182410.db2.gz XTFDLYJVWNENPS-UHFFFAOYSA-N -1 3 359.411 3.212 20 0 FGADHM CCCc1ncc(C(=O)N(CC)[C@H](C)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000736495170 599182919 /nfs/dbraw/zinc/18/29/19/599182919.db2.gz IXPQLJPSMNSEFN-GFCCVEGCSA-N -1 3 370.482 3.499 20 0 FGADHM CCCc1ncc(C(=O)N(CC)[C@H](C)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000736495170 599182921 /nfs/dbraw/zinc/18/29/21/599182921.db2.gz IXPQLJPSMNSEFN-GFCCVEGCSA-N -1 3 370.482 3.499 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H](C)c1cccc(Cl)c1 ZINC000737056261 599187792 /nfs/dbraw/zinc/18/77/92/599187792.db2.gz AXZAWKZNZZRNHJ-SNVBAGLBSA-N -1 3 357.801 3.271 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H](C)c1cccc(Cl)c1 ZINC000737056261 599187794 /nfs/dbraw/zinc/18/77/94/599187794.db2.gz AXZAWKZNZZRNHJ-SNVBAGLBSA-N -1 3 357.801 3.271 20 0 FGADHM Cc1ccc(-c2ocnc2C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000737304391 599187193 /nfs/dbraw/zinc/18/71/93/599187193.db2.gz YWTOSXSBXKLOOF-UHFFFAOYSA-N -1 3 364.340 3.222 20 0 FGADHM Cc1ccc(-c2ocnc2C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000737304391 599187195 /nfs/dbraw/zinc/18/71/95/599187195.db2.gz YWTOSXSBXKLOOF-UHFFFAOYSA-N -1 3 364.340 3.222 20 0 FGADHM O=C(OCc1cc(-c2nnn[n-]2)ccc1F)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000738236896 599187744 /nfs/dbraw/zinc/18/77/44/599187744.db2.gz UJGRKRZKXJFWPS-VXGBXAGGSA-N -1 3 374.322 3.131 20 0 FGADHM O=C(OCc1cc(-c2nn[n-]n2)ccc1F)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000738236896 599187747 /nfs/dbraw/zinc/18/77/47/599187747.db2.gz UJGRKRZKXJFWPS-VXGBXAGGSA-N -1 3 374.322 3.131 20 0 FGADHM CC(C)(NC(=O)CSCc1ccc(-c2nnn[n-]2)cc1)c1cccs1 ZINC000735671744 599196081 /nfs/dbraw/zinc/19/60/81/599196081.db2.gz FAMFPDKDQQHPNB-UHFFFAOYSA-N -1 3 373.507 3.213 20 0 FGADHM CC(C)(NC(=O)CSCc1ccc(-c2nn[n-]n2)cc1)c1cccs1 ZINC000735671744 599196084 /nfs/dbraw/zinc/19/60/84/599196084.db2.gz FAMFPDKDQQHPNB-UHFFFAOYSA-N -1 3 373.507 3.213 20 0 FGADHM O=C(c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1)N1CCC1 ZINC000738278744 599198388 /nfs/dbraw/zinc/19/83/88/599198388.db2.gz NFOQFWNNLPYBLR-UHFFFAOYSA-N -1 3 355.785 3.158 20 0 FGADHM O=C(c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1)N1CCC1 ZINC000738278744 599198389 /nfs/dbraw/zinc/19/83/89/599198389.db2.gz NFOQFWNNLPYBLR-UHFFFAOYSA-N -1 3 355.785 3.158 20 0 FGADHM CC[C@]1(C)CCCN(C(=O)CSCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820949797 599201279 /nfs/dbraw/zinc/20/12/79/599201279.db2.gz FXQXOPPCUPTJNQ-GOSISDBHSA-N -1 3 359.499 3.139 20 0 FGADHM CC[C@]1(C)CCCN(C(=O)CSCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820949797 599201281 /nfs/dbraw/zinc/20/12/81/599201281.db2.gz FXQXOPPCUPTJNQ-GOSISDBHSA-N -1 3 359.499 3.139 20 0 FGADHM C[C@H]1CN(C(=O)c2sccc2-c2nnn[n-]2)CC[C@@H]1c1ccccc1 ZINC000736295146 599222883 /nfs/dbraw/zinc/22/28/83/599222883.db2.gz YURFZEGOSTYZPS-JSGCOSHPSA-N -1 3 353.451 3.194 20 0 FGADHM C[C@H]1CN(C(=O)c2sccc2-c2nn[n-]n2)CC[C@@H]1c1ccccc1 ZINC000736295146 599222885 /nfs/dbraw/zinc/22/28/85/599222885.db2.gz YURFZEGOSTYZPS-JSGCOSHPSA-N -1 3 353.451 3.194 20 0 FGADHM CCOc1cccc(NC(=S)Nc2cc(-c3nnn[n-]3)ccc2C)c1 ZINC000821430677 599225033 /nfs/dbraw/zinc/22/50/33/599225033.db2.gz CGTGXIHZQPICBL-UHFFFAOYSA-N -1 3 354.439 3.383 20 0 FGADHM CCOc1cccc(NC(=S)Nc2cc(-c3nn[n-]n3)ccc2C)c1 ZINC000821430677 599225035 /nfs/dbraw/zinc/22/50/35/599225035.db2.gz CGTGXIHZQPICBL-UHFFFAOYSA-N -1 3 354.439 3.383 20 0 FGADHM CC(C)[C@H]1CCCCN1C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000735749126 599225858 /nfs/dbraw/zinc/22/58/58/599225858.db2.gz MYMSDMMGJFZJKG-GOSISDBHSA-N -1 3 371.485 3.453 20 0 FGADHM CC(C)[C@H]1CCCCN1C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000735749126 599225860 /nfs/dbraw/zinc/22/58/60/599225860.db2.gz MYMSDMMGJFZJKG-GOSISDBHSA-N -1 3 371.485 3.453 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)c1ccn(C(CC)CC)n1 ZINC000821390221 607261138 /nfs/dbraw/zinc/26/11/38/607261138.db2.gz UCRMKKNAEWLEPU-UHFFFAOYSA-N -1 3 370.413 3.042 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)c1ccn(C(CC)CC)n1 ZINC000821390221 607261139 /nfs/dbraw/zinc/26/11/39/607261139.db2.gz UCRMKKNAEWLEPU-UHFFFAOYSA-N -1 3 370.413 3.042 20 0 FGADHM CC(C)(C)[C@H](NC(=O)c1ncc(-c2nnn[n-]2)cc1Cl)c1ccccc1 ZINC000819899376 607262479 /nfs/dbraw/zinc/26/24/79/607262479.db2.gz UJRHGXOLJCNIFA-OAHLLOKOSA-N -1 3 370.844 3.432 20 0 FGADHM CC(C)(C)[C@H](NC(=O)c1ncc(-c2nn[n-]n2)cc1Cl)c1ccccc1 ZINC000819899376 607262480 /nfs/dbraw/zinc/26/24/80/607262480.db2.gz UJRHGXOLJCNIFA-OAHLLOKOSA-N -1 3 370.844 3.432 20 0 FGADHM CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)c1sccc1-c1nnn[n-]1 ZINC000736352363 599233282 /nfs/dbraw/zinc/23/32/82/599233282.db2.gz KXIQQYLAELKDNV-CQSZACIVSA-N -1 3 355.467 3.330 20 0 FGADHM CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)c1sccc1-c1nn[n-]n1 ZINC000736352363 599233284 /nfs/dbraw/zinc/23/32/84/599233284.db2.gz KXIQQYLAELKDNV-CQSZACIVSA-N -1 3 355.467 3.330 20 0 FGADHM CS[C@H]1CCC[C@H](Nc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)C1 ZINC000737179472 599233626 /nfs/dbraw/zinc/23/36/26/599233626.db2.gz KTDLEYKGQZUOHC-IUCAKERBSA-N -1 3 358.393 3.367 20 0 FGADHM CS[C@H]1CCC[C@H](Nc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)C1 ZINC000737179472 599233628 /nfs/dbraw/zinc/23/36/28/599233628.db2.gz KTDLEYKGQZUOHC-IUCAKERBSA-N -1 3 358.393 3.367 20 0 FGADHM Cc1ccc(N(C(=O)c2ncc(-c3nnn[n-]3)cc2Cl)C(C)C)cc1 ZINC000822241401 607264017 /nfs/dbraw/zinc/26/40/17/607264017.db2.gz VBHNYHDRGRUJMC-UHFFFAOYSA-N -1 3 356.817 3.279 20 0 FGADHM Cc1ccc(N(C(=O)c2ncc(-c3nn[n-]n3)cc2Cl)C(C)C)cc1 ZINC000822241401 607264018 /nfs/dbraw/zinc/26/40/18/607264018.db2.gz VBHNYHDRGRUJMC-UHFFFAOYSA-N -1 3 356.817 3.279 20 0 FGADHM Cc1cc(Cl)ccc1NC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000822202406 599236219 /nfs/dbraw/zinc/23/62/19/599236219.db2.gz YNSLYCLWELUPRA-UHFFFAOYSA-N -1 3 372.816 3.029 20 0 FGADHM Cc1c(NC(=O)[C@H]2C[C@H]2c2c(F)cccc2F)cccc1-c1nnn[n-]1 ZINC000822061289 607266436 /nfs/dbraw/zinc/26/64/36/607266436.db2.gz LTLXUEJDKMHIED-NEPJUHHUSA-N -1 3 355.348 3.196 20 0 FGADHM Cc1c(NC(=O)[C@H]2C[C@H]2c2c(F)cccc2F)cccc1-c1nn[n-]n1 ZINC000822061289 607266437 /nfs/dbraw/zinc/26/64/37/607266437.db2.gz LTLXUEJDKMHIED-NEPJUHHUSA-N -1 3 355.348 3.196 20 0 FGADHM C[C@@H](NC(=S)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000820403403 599237923 /nfs/dbraw/zinc/23/79/23/599237923.db2.gz JOVQBJXEKLPANL-OLZOCXBDSA-N -1 3 352.467 3.153 20 0 FGADHM C[C@@H](NC(=S)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000820403403 599237924 /nfs/dbraw/zinc/23/79/24/599237924.db2.gz JOVQBJXEKLPANL-OLZOCXBDSA-N -1 3 352.467 3.153 20 0 FGADHM CC(C)c1ccc(NC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000820192602 599240356 /nfs/dbraw/zinc/24/03/56/599240356.db2.gz VUZXYBWYKIOROI-UHFFFAOYSA-N -1 3 354.389 3.451 20 0 FGADHM CC(C)c1ccc(NC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000820192602 599240358 /nfs/dbraw/zinc/24/03/58/599240358.db2.gz VUZXYBWYKIOROI-UHFFFAOYSA-N -1 3 354.389 3.451 20 0 FGADHM C[C@H](CNC(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1F ZINC000820270067 599242375 /nfs/dbraw/zinc/24/23/75/599242375.db2.gz ULSXLAPZJIIAON-SNVBAGLBSA-N -1 3 358.352 3.070 20 0 FGADHM C[C@H](CNC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1F ZINC000820270067 599242377 /nfs/dbraw/zinc/24/23/77/599242377.db2.gz ULSXLAPZJIIAON-SNVBAGLBSA-N -1 3 358.352 3.070 20 0 FGADHM Cc1c(NC(=O)c2cccc(OC(F)(F)F)c2)cccc1-c1nnn[n-]1 ZINC000822108193 607268946 /nfs/dbraw/zinc/26/89/46/607268946.db2.gz FTWVBCJRJJMJFI-UHFFFAOYSA-N -1 3 363.299 3.326 20 0 FGADHM Cc1c(NC(=O)c2cccc(OC(F)(F)F)c2)cccc1-c1nn[n-]n1 ZINC000822108193 607268947 /nfs/dbraw/zinc/26/89/47/607268947.db2.gz FTWVBCJRJJMJFI-UHFFFAOYSA-N -1 3 363.299 3.326 20 0 FGADHM Cc1c(NC(=O)c2cccc(Oc3cnccn3)c2)cccc1-c1nnn[n-]1 ZINC000822108942 607268972 /nfs/dbraw/zinc/26/89/72/607268972.db2.gz MVTXYFFVAHJPRS-UHFFFAOYSA-N -1 3 373.376 3.010 20 0 FGADHM Cc1c(NC(=O)c2cccc(Oc3cnccn3)c2)cccc1-c1nn[n-]n1 ZINC000822108942 607268973 /nfs/dbraw/zinc/26/89/73/607268973.db2.gz MVTXYFFVAHJPRS-UHFFFAOYSA-N -1 3 373.376 3.010 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccnn1C(CC)CC ZINC000821412919 607275856 /nfs/dbraw/zinc/27/58/56/607275856.db2.gz UIWLCZDUFKSQHZ-UHFFFAOYSA-N -1 3 369.429 3.075 20 0 FGADHM Cc1c(NC(=O)N[C@H]2CCOC3(CCCCC3)C2)cccc1-c1nnn[n-]1 ZINC000822090316 607281624 /nfs/dbraw/zinc/28/16/24/607281624.db2.gz JXDLAUSUQXHRGG-AWEZNQCLSA-N -1 3 370.457 3.179 20 0 FGADHM Cc1c(NC(=O)N[C@H]2CCOC3(CCCCC3)C2)cccc1-c1nn[n-]n1 ZINC000822090316 607281625 /nfs/dbraw/zinc/28/16/25/607281625.db2.gz JXDLAUSUQXHRGG-AWEZNQCLSA-N -1 3 370.457 3.179 20 0 FGADHM Cc1csc(C2(NC(=O)Nc3cccc(-c4nnn[n-]4)c3C)CCC2)n1 ZINC000822408451 607288887 /nfs/dbraw/zinc/28/88/87/607288887.db2.gz DFXTTYULRLGFLR-UHFFFAOYSA-N -1 3 369.454 3.141 20 0 FGADHM Cc1csc(C2(NC(=O)Nc3cccc(-c4nn[n-]n4)c3C)CCC2)n1 ZINC000822408451 607288888 /nfs/dbraw/zinc/28/88/88/607288888.db2.gz DFXTTYULRLGFLR-UHFFFAOYSA-N -1 3 369.454 3.141 20 0 FGADHM Cc1cc(N(C)C)ccc1NC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822205797 599255705 /nfs/dbraw/zinc/25/57/05/599255705.db2.gz IOVBSTGSMXCDBL-CYBMUJFWSA-N -1 3 365.441 3.124 20 0 FGADHM Cc1cc(N(C)C)ccc1NC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822205797 599255706 /nfs/dbraw/zinc/25/57/06/599255706.db2.gz IOVBSTGSMXCDBL-CYBMUJFWSA-N -1 3 365.441 3.124 20 0 FGADHM O=C([O-])Cc1ccccc1NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000312136342 597337343 /nfs/dbraw/zinc/33/73/43/597337343.db2.gz RZYLOKYQUQQIAP-SFHVURJKSA-N -1 3 367.449 3.100 20 0 FGADHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(NC[C@H]3CC3(Cl)Cl)c2c1 ZINC000737249110 599256918 /nfs/dbraw/zinc/25/69/18/599256918.db2.gz RUVPMKNAGCSTLB-SNVBAGLBSA-N -1 3 363.252 3.059 20 0 FGADHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(NC[C@H]3CC3(Cl)Cl)c2c1 ZINC000737249110 599256919 /nfs/dbraw/zinc/25/69/19/599256919.db2.gz RUVPMKNAGCSTLB-SNVBAGLBSA-N -1 3 363.252 3.059 20 0 FGADHM CCOc1cc(C)ccc1NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000821394763 599257512 /nfs/dbraw/zinc/25/75/12/599257512.db2.gz NFNZHGGTZUBTIB-UHFFFAOYSA-N -1 3 370.388 3.035 20 0 FGADHM CCOc1cc(C)ccc1NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000821394763 599257513 /nfs/dbraw/zinc/25/75/13/599257513.db2.gz NFNZHGGTZUBTIB-UHFFFAOYSA-N -1 3 370.388 3.035 20 0 FGADHM Cc1cc(NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)n(C(C)(C)C)n1 ZINC000822208088 599258305 /nfs/dbraw/zinc/25/83/05/599258305.db2.gz AAOCSOYWANESNX-LBPRGKRZSA-N -1 3 368.445 3.009 20 0 FGADHM Cc1cc(NC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)n(C(C)(C)C)n1 ZINC000822208088 599258307 /nfs/dbraw/zinc/25/83/07/599258307.db2.gz AAOCSOYWANESNX-LBPRGKRZSA-N -1 3 368.445 3.009 20 0 FGADHM Cc1c(NC(=O)NC[C@@H]2CCc3ccccc3C2)cccc1-c1nnn[n-]1 ZINC000822097249 607286898 /nfs/dbraw/zinc/28/68/98/607286898.db2.gz WEXXPIKUOMBNNG-CQSZACIVSA-N -1 3 362.437 3.102 20 0 FGADHM Cc1c(NC(=O)NC[C@@H]2CCc3ccccc3C2)cccc1-c1nn[n-]n1 ZINC000822097249 607286899 /nfs/dbraw/zinc/28/68/99/607286899.db2.gz WEXXPIKUOMBNNG-CQSZACIVSA-N -1 3 362.437 3.102 20 0 FGADHM CCC(CC)n1nccc1C(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820901573 607302185 /nfs/dbraw/zinc/30/21/85/607302185.db2.gz CILUFNPDQXXUSL-GFCCVEGCSA-N -1 3 354.414 3.342 20 0 FGADHM CCC(CC)n1nccc1C(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820901573 607302186 /nfs/dbraw/zinc/30/21/86/607302186.db2.gz CILUFNPDQXXUSL-GFCCVEGCSA-N -1 3 354.414 3.342 20 0 FGADHM COc1ccc([C@H](C)NC(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1 ZINC000821777229 607292022 /nfs/dbraw/zinc/29/20/22/607292022.db2.gz CLPDNZDPHSHPEY-LBPRGKRZSA-N -1 3 352.398 3.066 20 0 FGADHM COc1ccc([C@H](C)NC(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1 ZINC000821777229 607292023 /nfs/dbraw/zinc/29/20/23/607292023.db2.gz CLPDNZDPHSHPEY-LBPRGKRZSA-N -1 3 352.398 3.066 20 0 FGADHM Cc1nc(CC(C)C)sc1C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000822435868 607295455 /nfs/dbraw/zinc/29/54/55/607295455.db2.gz CYRYYJDTYIIMNY-UHFFFAOYSA-N -1 3 356.455 3.391 20 0 FGADHM Cc1nc(CC(C)C)sc1C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000822435868 607295456 /nfs/dbraw/zinc/29/54/56/607295456.db2.gz CYRYYJDTYIIMNY-UHFFFAOYSA-N -1 3 356.455 3.391 20 0 FGADHM CCOc1ccc(OCC)c(NCc2ccc(OC)c(-c3nnn[n-]3)c2)c1 ZINC000821426739 607310444 /nfs/dbraw/zinc/31/04/44/607310444.db2.gz HYYYHMKFRXHBSZ-UHFFFAOYSA-N -1 3 369.425 3.285 20 0 FGADHM CCOc1ccc(OCC)c(NCc2ccc(OC)c(-c3nn[n-]n3)c2)c1 ZINC000821426739 607310445 /nfs/dbraw/zinc/31/04/45/607310445.db2.gz HYYYHMKFRXHBSZ-UHFFFAOYSA-N -1 3 369.425 3.285 20 0 FGADHM CCC(CC)n1ccc(C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)n1 ZINC000820897428 607311164 /nfs/dbraw/zinc/31/11/64/607311164.db2.gz FCEZUDBLXJZKBY-UHFFFAOYSA-N -1 3 370.461 3.233 20 0 FGADHM CCC(CC)n1ccc(C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)n1 ZINC000820897428 607311165 /nfs/dbraw/zinc/31/11/65/607311165.db2.gz FCEZUDBLXJZKBY-UHFFFAOYSA-N -1 3 370.461 3.233 20 0 FGADHM COc1ccc(OC(F)F)c(NCc2cc(-c3nnn[n-]3)cs2)c1 ZINC000821837375 607312489 /nfs/dbraw/zinc/31/24/89/607312489.db2.gz CXHKCYCFAJOOOR-UHFFFAOYSA-N -1 3 353.354 3.150 20 0 FGADHM COc1ccc(OC(F)F)c(NCc2cc(-c3nn[n-]n3)cs2)c1 ZINC000821837375 607312490 /nfs/dbraw/zinc/31/24/90/607312490.db2.gz CXHKCYCFAJOOOR-UHFFFAOYSA-N -1 3 353.354 3.150 20 0 FGADHM Cc1cc(C)n(-c2cccc(NCc3ccc(-c4nnn[n-]4)s3)c2)n1 ZINC000822197919 607313279 /nfs/dbraw/zinc/31/32/79/607313279.db2.gz VDCRTLILNDRPQE-UHFFFAOYSA-N -1 3 351.439 3.343 20 0 FGADHM Cc1cc(N2CCSCC2)ccc1NCc1cc(-c2nnn[n-]2)cs1 ZINC000822206921 607315097 /nfs/dbraw/zinc/31/50/97/607315097.db2.gz CWNYTZGTFLQMRQ-UHFFFAOYSA-N -1 3 372.523 3.402 20 0 FGADHM Cc1cc(N2CCSCC2)ccc1NCc1cc(-c2nn[n-]n2)cs1 ZINC000822206921 607315098 /nfs/dbraw/zinc/31/50/98/607315098.db2.gz CWNYTZGTFLQMRQ-UHFFFAOYSA-N -1 3 372.523 3.402 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC000821407949 599267133 /nfs/dbraw/zinc/26/71/33/599267133.db2.gz YJPCNPOVTPJCRB-VNHYZAJKSA-N -1 3 370.457 3.356 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC000821407949 599267136 /nfs/dbraw/zinc/26/71/36/599267136.db2.gz YJPCNPOVTPJCRB-VNHYZAJKSA-N -1 3 370.457 3.356 20 0 FGADHM Cc1csc([C@@H](NC(=O)Nc2cc(-c3nnn[n-]3)ccc2C)C2CC2)n1 ZINC000822408715 599271217 /nfs/dbraw/zinc/27/12/17/599271217.db2.gz HCDLUEUVRPWDIR-AWEZNQCLSA-N -1 3 369.454 3.213 20 0 FGADHM Cc1csc([C@@H](NC(=O)Nc2cc(-c3nn[n-]n3)ccc2C)C2CC2)n1 ZINC000822408715 599271220 /nfs/dbraw/zinc/27/12/20/599271220.db2.gz HCDLUEUVRPWDIR-AWEZNQCLSA-N -1 3 369.454 3.213 20 0 FGADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1nc2ccsc2s1 ZINC000736823290 599280334 /nfs/dbraw/zinc/28/03/34/599280334.db2.gz VBXASCPYOGTBKV-UHFFFAOYSA-N -1 3 371.451 3.202 20 0 FGADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1nc2ccsc2s1 ZINC000736823290 599280337 /nfs/dbraw/zinc/28/03/37/599280337.db2.gz VBXASCPYOGTBKV-UHFFFAOYSA-N -1 3 371.451 3.202 20 0 FGADHM Cc1csc([C@@H]2CCCN(C(=O)Nc3cccc(-c4nnn[n-]4)c3)C2)n1 ZINC000737454875 599285594 /nfs/dbraw/zinc/28/55/94/599285594.db2.gz IMHVXJPDCGENQW-CYBMUJFWSA-N -1 3 369.454 3.043 20 0 FGADHM Cc1csc([C@@H]2CCCN(C(=O)Nc3cccc(-c4nn[n-]n4)c3)C2)n1 ZINC000737454875 599285597 /nfs/dbraw/zinc/28/55/97/599285597.db2.gz IMHVXJPDCGENQW-CYBMUJFWSA-N -1 3 369.454 3.043 20 0 FGADHM C[C@H](Sc1nc2ccsc2c(=O)n1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736193994 599287547 /nfs/dbraw/zinc/28/75/47/599287547.db2.gz VVLRZQQMCXWSEP-VIFPVBQESA-N -1 3 370.463 3.028 20 0 FGADHM C[C@H](Sc1nc2ccsc2c(=O)n1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736193994 599287549 /nfs/dbraw/zinc/28/75/49/599287549.db2.gz VVLRZQQMCXWSEP-VIFPVBQESA-N -1 3 370.463 3.028 20 0 FGADHM O=C(NCc1ccccc1)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000823261868 599290053 /nfs/dbraw/zinc/29/00/53/599290053.db2.gz VGWMBCQHVZYERU-UHFFFAOYSA-N -1 3 362.315 3.207 20 0 FGADHM O=C(NCc1ccccc1)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823261868 599290056 /nfs/dbraw/zinc/29/00/56/599290056.db2.gz VGWMBCQHVZYERU-UHFFFAOYSA-N -1 3 362.315 3.207 20 0 FGADHM O=C([O-])c1cccc(CN2CCC(n3ccc(C(F)(F)F)n3)CC2)c1 ZINC000263442185 598212783 /nfs/dbraw/zinc/21/27/83/598212783.db2.gz WVHVNMTWPRAXEZ-UHFFFAOYSA-N -1 3 353.344 3.437 20 0 FGADHM C[C@](O)(CNc1ccc(C(F)(F)F)c(-c2nnn[n-]2)c1)c1ccsc1 ZINC000820469253 607345904 /nfs/dbraw/zinc/34/59/04/607345904.db2.gz YTEOBZXREIFVFP-AWEZNQCLSA-N -1 3 369.372 3.267 20 0 FGADHM C[C@](O)(CNc1ccc(C(F)(F)F)c(-c2nn[n-]n2)c1)c1ccsc1 ZINC000820469253 607345906 /nfs/dbraw/zinc/34/59/06/607345906.db2.gz YTEOBZXREIFVFP-AWEZNQCLSA-N -1 3 369.372 3.267 20 0 FGADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N(C)CCC1CCCCC1 ZINC000736184258 598233000 /nfs/dbraw/zinc/23/30/00/598233000.db2.gz XDEZMXMDRHSCBF-CQSZACIVSA-N -1 3 357.458 3.063 20 0 FGADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N(C)CCC1CCCCC1 ZINC000736184258 598233002 /nfs/dbraw/zinc/23/30/02/598233002.db2.gz XDEZMXMDRHSCBF-CQSZACIVSA-N -1 3 357.458 3.063 20 0 FGADHM CC[C@@H](C)NC(=O)c1cccc(CNc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000736327606 598239666 /nfs/dbraw/zinc/23/96/66/598239666.db2.gz RGQHASZPJNUGCF-GFCCVEGCSA-N -1 3 368.416 3.146 20 0 FGADHM CCc1nc2ccccc2n1CCNc1cccc(F)c1-c1nnn[n-]1 ZINC000736705263 598244140 /nfs/dbraw/zinc/24/41/40/598244140.db2.gz GRBOLPXMQTZEJY-UHFFFAOYSA-N -1 3 351.389 3.030 20 0 FGADHM CCc1nc2ccccc2n1CCNc1cccc(F)c1-c1nn[n-]n1 ZINC000736705263 598244142 /nfs/dbraw/zinc/24/41/42/598244142.db2.gz GRBOLPXMQTZEJY-UHFFFAOYSA-N -1 3 351.389 3.030 20 0 FGADHM CC(C)(C)c1csc(CCNc2ncc(-c3nnn[n-]3)cc2Cl)n1 ZINC000735652324 598244756 /nfs/dbraw/zinc/24/47/56/598244756.db2.gz GIWJVEPKCGWWSM-UHFFFAOYSA-N -1 3 363.878 3.324 20 0 FGADHM CC(C)(C)c1csc(CCNc2ncc(-c3nn[n-]n3)cc2Cl)n1 ZINC000735652324 598244758 /nfs/dbraw/zinc/24/47/58/598244758.db2.gz GIWJVEPKCGWWSM-UHFFFAOYSA-N -1 3 363.878 3.324 20 0 FGADHM O=C(NCc1cc(F)ccc1F)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000738101714 598264205 /nfs/dbraw/zinc/26/42/05/598264205.db2.gz LHJQUKYFPYXKJZ-UHFFFAOYSA-N -1 3 364.743 3.120 20 0 FGADHM O=C(NCc1cc(F)ccc1F)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000738101714 598264206 /nfs/dbraw/zinc/26/42/06/598264206.db2.gz LHJQUKYFPYXKJZ-UHFFFAOYSA-N -1 3 364.743 3.120 20 0 FGADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)N(Cc1ccco1)C1CCCC1 ZINC000738110497 598269665 /nfs/dbraw/zinc/26/96/65/598269665.db2.gz DZNPTIRLQSHNFT-UHFFFAOYSA-N -1 3 366.425 3.114 20 0 FGADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)N(Cc1ccco1)C1CCCC1 ZINC000738110497 598269667 /nfs/dbraw/zinc/26/96/67/598269667.db2.gz DZNPTIRLQSHNFT-UHFFFAOYSA-N -1 3 366.425 3.114 20 0 FGADHM CN(C(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(-c2nnn[n-]2)cc1F ZINC000736732051 598281347 /nfs/dbraw/zinc/28/13/47/598281347.db2.gz LONDCKGJPAXICN-UHFFFAOYSA-N -1 3 355.417 3.185 20 0 FGADHM CN(C(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(-c2nn[n-]n2)cc1F ZINC000736732051 598281348 /nfs/dbraw/zinc/28/13/48/598281348.db2.gz LONDCKGJPAXICN-UHFFFAOYSA-N -1 3 355.417 3.185 20 0 FGADHM Cc1ccc2c(CC(=O)N(C)c3ccc(-c4nnn[n-]4)cc3F)coc2c1 ZINC000737374188 598282611 /nfs/dbraw/zinc/28/26/11/598282611.db2.gz YPAGBFMBESBIEF-UHFFFAOYSA-N -1 3 365.368 3.266 20 0 FGADHM Cc1ccc2c(CC(=O)N(C)c3ccc(-c4nn[n-]n4)cc3F)coc2c1 ZINC000737374188 598282612 /nfs/dbraw/zinc/28/26/12/598282612.db2.gz YPAGBFMBESBIEF-UHFFFAOYSA-N -1 3 365.368 3.266 20 0 FGADHM C[C@@]1(C(=O)OCc2ccc(-c3nnn[n-]3)cc2F)CCCc2ccccc21 ZINC000736206374 598290897 /nfs/dbraw/zinc/29/08/97/598290897.db2.gz NKTSRLOVJTXHQX-HXUWFJFHSA-N -1 3 366.396 3.343 20 0 FGADHM C[C@@]1(C(=O)OCc2ccc(-c3nn[n-]n3)cc2F)CCCc2ccccc21 ZINC000736206374 598290898 /nfs/dbraw/zinc/29/08/98/598290898.db2.gz NKTSRLOVJTXHQX-HXUWFJFHSA-N -1 3 366.396 3.343 20 0 FGADHM CC(C)N(Cc1cccs1)C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000735873969 598293579 /nfs/dbraw/zinc/29/35/79/598293579.db2.gz BZAUCUBEZGROHY-UHFFFAOYSA-N -1 3 356.455 3.048 20 0 FGADHM CC(C)N(Cc1cccs1)C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000735873969 598293581 /nfs/dbraw/zinc/29/35/81/598293581.db2.gz BZAUCUBEZGROHY-UHFFFAOYSA-N -1 3 356.455 3.048 20 0 FGADHM Cc1nc(-c2ccco2)ccc1C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737464755 598296016 /nfs/dbraw/zinc/29/60/16/598296016.db2.gz XGMJENHAALXWLS-LBPRGKRZSA-N -1 3 374.404 3.321 20 0 FGADHM Cc1nc(-c2ccco2)ccc1C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737464755 598296019 /nfs/dbraw/zinc/29/60/19/598296019.db2.gz XGMJENHAALXWLS-LBPRGKRZSA-N -1 3 374.404 3.321 20 0 FGADHM Cc1ccccc1N(C(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000737428710 598298104 /nfs/dbraw/zinc/29/81/04/598298104.db2.gz UDRJMJXZFNHNPU-HNNXBMFYSA-N -1 3 365.437 3.384 20 0 FGADHM C[C@@H](SCc1ccccc1)C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000736190679 598307847 /nfs/dbraw/zinc/30/78/47/598307847.db2.gz GQEHLITXHSEDMF-GFCCVEGCSA-N -1 3 371.441 3.291 20 0 FGADHM C[C@@H](SCc1ccccc1)C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000736190679 598307849 /nfs/dbraw/zinc/30/78/49/598307849.db2.gz GQEHLITXHSEDMF-GFCCVEGCSA-N -1 3 371.441 3.291 20 0 FGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)c1cc2cc(F)ccc2s1 ZINC000738102571 598309658 /nfs/dbraw/zinc/30/96/58/598309658.db2.gz QPSZVSZCMMZURY-UHFFFAOYSA-N -1 3 371.372 3.290 20 0 FGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)c1cc2cc(F)ccc2s1 ZINC000738102571 598309660 /nfs/dbraw/zinc/30/96/60/598309660.db2.gz QPSZVSZCMMZURY-UHFFFAOYSA-N -1 3 371.372 3.290 20 0 FGADHM CC(C)[C@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000735720185 598317225 /nfs/dbraw/zinc/31/72/25/598317225.db2.gz IQKAGROCSSVLEU-KRWDZBQOSA-N -1 3 368.416 3.202 20 0 FGADHM CC(C)[C@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000735720185 598317227 /nfs/dbraw/zinc/31/72/27/598317227.db2.gz IQKAGROCSSVLEU-KRWDZBQOSA-N -1 3 368.416 3.202 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)Nc1ccc(SC(F)F)nc1 ZINC000822935456 607349998 /nfs/dbraw/zinc/34/99/98/607349998.db2.gz LMOXQWAFDOTCHH-FNORWQNLSA-N -1 3 374.376 3.228 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)Nc1ccc(SC(F)F)nc1 ZINC000822935456 607349999 /nfs/dbraw/zinc/34/99/99/607349999.db2.gz LMOXQWAFDOTCHH-FNORWQNLSA-N -1 3 374.376 3.228 20 0 FGADHM CC(C)(C)c1nc(C(=O)OCc2cc(-c3nnn[n-]3)ccc2F)cs1 ZINC000735655467 598360123 /nfs/dbraw/zinc/36/01/23/598360123.db2.gz AEERROJAEDEDIN-UHFFFAOYSA-N -1 3 361.402 3.117 20 0 FGADHM CC(C)(C)c1nc(C(=O)OCc2cc(-c3nn[n-]n3)ccc2F)cs1 ZINC000735655467 598360125 /nfs/dbraw/zinc/36/01/25/598360125.db2.gz AEERROJAEDEDIN-UHFFFAOYSA-N -1 3 361.402 3.117 20 0 FGADHM CC(C)CCOC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000735811651 598360210 /nfs/dbraw/zinc/36/02/10/598360210.db2.gz PCIUGUBMDCRITR-UHFFFAOYSA-N -1 3 356.382 3.242 20 0 FGADHM CC(C)CCOC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000735811651 598360212 /nfs/dbraw/zinc/36/02/12/598360212.db2.gz PCIUGUBMDCRITR-UHFFFAOYSA-N -1 3 356.382 3.242 20 0 FGADHM COc1ccccc1[C@H]1CCCCN1C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737148692 598361176 /nfs/dbraw/zinc/36/11/76/598361176.db2.gz UHHCFUZQXMPFQG-QGZVFWFLSA-N -1 3 363.421 3.243 20 0 FGADHM COc1ccccc1[C@H]1CCCCN1C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737148692 598361178 /nfs/dbraw/zinc/36/11/78/598361178.db2.gz UHHCFUZQXMPFQG-QGZVFWFLSA-N -1 3 363.421 3.243 20 0 FGADHM Cc1cccc(CC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)c1 ZINC000737392301 598365923 /nfs/dbraw/zinc/36/59/23/598365923.db2.gz SSFOEFYZBXAKPE-UHFFFAOYSA-N -1 3 353.451 3.297 20 0 FGADHM Cc1cccc(CC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)c1 ZINC000737392301 598365925 /nfs/dbraw/zinc/36/59/25/598365925.db2.gz SSFOEFYZBXAKPE-UHFFFAOYSA-N -1 3 353.451 3.297 20 0 FGADHM COc1cc2nc(C)sc2cc1NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737055124 598366297 /nfs/dbraw/zinc/36/62/97/598366297.db2.gz IHKPXWQZGMSSAN-UHFFFAOYSA-N -1 3 366.406 3.046 20 0 FGADHM COc1cc2nc(C)sc2cc1NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737055124 598366299 /nfs/dbraw/zinc/36/62/99/598366299.db2.gz IHKPXWQZGMSSAN-UHFFFAOYSA-N -1 3 366.406 3.046 20 0 FGADHM C[C@@H](CC(=O)OCc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1F ZINC000735978359 598371045 /nfs/dbraw/zinc/37/10/45/598371045.db2.gz UYGUURDAYGSDDU-NSHDSACASA-N -1 3 358.348 3.382 20 0 FGADHM C[C@@H](CC(=O)OCc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1F ZINC000735978359 598371047 /nfs/dbraw/zinc/37/10/47/598371047.db2.gz UYGUURDAYGSDDU-NSHDSACASA-N -1 3 358.348 3.382 20 0 FGADHM CCN(CCNc1ncc(-c2nnn[n-]2)cc1Cl)c1cccc(C)c1 ZINC000736537482 598386348 /nfs/dbraw/zinc/38/63/48/598386348.db2.gz TZMCIUDCNYWNSI-UHFFFAOYSA-N -1 3 357.849 3.162 20 0 FGADHM CCN(CCNc1ncc(-c2nn[n-]n2)cc1Cl)c1cccc(C)c1 ZINC000736537482 598386350 /nfs/dbraw/zinc/38/63/50/598386350.db2.gz TZMCIUDCNYWNSI-UHFFFAOYSA-N -1 3 357.849 3.162 20 0 FGADHM CCCOc1ccc(CNc2ncc(-c3nnn[n-]3)cc2Cl)cc1OC ZINC000736490247 598389705 /nfs/dbraw/zinc/38/97/05/598389705.db2.gz IZEPMXNWLDUSHL-UHFFFAOYSA-N -1 3 374.832 3.325 20 0 FGADHM CCCOc1ccc(CNc2ncc(-c3nn[n-]n3)cc2Cl)cc1OC ZINC000736490247 598389707 /nfs/dbraw/zinc/38/97/07/598389707.db2.gz IZEPMXNWLDUSHL-UHFFFAOYSA-N -1 3 374.832 3.325 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N[C@H]1CCc2ccc(F)cc21 ZINC000738151380 598393189 /nfs/dbraw/zinc/39/31/89/598393189.db2.gz HLWBOBAJUAFUFG-HNNXBMFYSA-N -1 3 372.791 3.468 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N[C@H]1CCc2ccc(F)cc21 ZINC000738151380 598393192 /nfs/dbraw/zinc/39/31/92/598393192.db2.gz HLWBOBAJUAFUFG-HNNXBMFYSA-N -1 3 372.791 3.468 20 0 FGADHM COc1cccc([C@@H]2C[C@H]2C(=O)Nc2sc(C)c(C)c2-c2nnn[n-]2)c1 ZINC000737129569 598394072 /nfs/dbraw/zinc/39/40/72/598394072.db2.gz LEFDDMDADNRMEP-UONOGXRCSA-N -1 3 369.450 3.296 20 0 FGADHM COc1cccc([C@@H]2C[C@H]2C(=O)Nc2sc(C)c(C)c2-c2nn[n-]n2)c1 ZINC000737129569 598394074 /nfs/dbraw/zinc/39/40/74/598394074.db2.gz LEFDDMDADNRMEP-UONOGXRCSA-N -1 3 369.450 3.296 20 0 FGADHM COc1ccccc1C/C(C)=C/C(=O)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000737154299 598412302 /nfs/dbraw/zinc/41/23/02/598412302.db2.gz ZRROUFAHLFBQQJ-WYMLVPIESA-N -1 3 364.405 3.108 20 0 FGADHM COc1ccccc1C/C(C)=C/C(=O)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000737154299 598412304 /nfs/dbraw/zinc/41/23/04/598412304.db2.gz ZRROUFAHLFBQQJ-WYMLVPIESA-N -1 3 364.405 3.108 20 0 FGADHM C[C@H](Sc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1c(F)cccc1F ZINC000736194254 598413920 /nfs/dbraw/zinc/41/39/20/598413920.db2.gz YPUVKPBWCGRFII-VIFPVBQESA-N -1 3 361.377 3.264 20 0 FGADHM C[C@H](Sc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1c(F)cccc1F ZINC000736194254 598413922 /nfs/dbraw/zinc/41/39/22/598413922.db2.gz YPUVKPBWCGRFII-VIFPVBQESA-N -1 3 361.377 3.264 20 0 FGADHM CC(C)c1ccc([C@H](C)NC(=O)CNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735924098 598415128 /nfs/dbraw/zinc/41/51/28/598415128.db2.gz QDQMPEVAFCWFMO-AWEZNQCLSA-N -1 3 364.453 3.279 20 0 FGADHM Clc1ccc(-c2noc(CNc3ccc(-c4nn[n-]n4)cc3)n2)cc1 ZINC000737571125 598416360 /nfs/dbraw/zinc/41/63/60/598416360.db2.gz SRMJULUFIKDPIG-UHFFFAOYSA-N -1 3 353.773 3.182 20 0 FGADHM Cc1ccc(F)c(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)c1 ZINC000737343343 598417317 /nfs/dbraw/zinc/41/73/17/598417317.db2.gz NTUFHHJASLAFCQ-UHFFFAOYSA-N -1 3 351.385 3.119 20 0 FGADHM Cc1ccc(F)c(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)c1 ZINC000737343343 598417318 /nfs/dbraw/zinc/41/73/18/598417318.db2.gz NTUFHHJASLAFCQ-UHFFFAOYSA-N -1 3 351.385 3.119 20 0 FGADHM CCN(C(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1)[C@@H]1CCCC[C@H]1C ZINC000736503470 598445392 /nfs/dbraw/zinc/44/53/92/598445392.db2.gz XDYRCVGMBWGELN-IJEWVQPXSA-N -1 3 357.458 3.061 20 0 FGADHM CCN(C(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1)[C@@H]1CCCC[C@H]1C ZINC000736503470 598445394 /nfs/dbraw/zinc/44/53/94/598445394.db2.gz XDYRCVGMBWGELN-IJEWVQPXSA-N -1 3 357.458 3.061 20 0 FGADHM CC(C)(CCc1ccccc1)NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000735666635 598449627 /nfs/dbraw/zinc/44/96/27/598449627.db2.gz QGTVLJYHFJLEEJ-SEYXRHQNSA-N -1 3 361.449 3.408 20 0 FGADHM CC(C)(CCc1ccccc1)NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000735666635 598449629 /nfs/dbraw/zinc/44/96/29/598449629.db2.gz QGTVLJYHFJLEEJ-SEYXRHQNSA-N -1 3 361.449 3.408 20 0 FGADHM CC(C)c1nc2ccc(NC(=O)c3ccc(-c4nnn[n-]4)cn3)cc2s1 ZINC000735942895 598449695 /nfs/dbraw/zinc/44/96/95/598449695.db2.gz OZARPJVEVINEGU-UHFFFAOYSA-N -1 3 365.422 3.247 20 0 FGADHM CC(C)c1nc2ccc(NC(=O)c3ccc(-c4nn[n-]n4)cn3)cc2s1 ZINC000735942895 598449697 /nfs/dbraw/zinc/44/96/97/598449697.db2.gz OZARPJVEVINEGU-UHFFFAOYSA-N -1 3 365.422 3.247 20 0 FGADHM CSCc1ccc(NC(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737180513 598449961 /nfs/dbraw/zinc/44/99/61/598449961.db2.gz AMDLFLUSZNDPSB-LBPRGKRZSA-N -1 3 369.450 3.136 20 0 FGADHM O[C@H](CNc1cccc(F)c1-c1nnn[n-]1)c1cccc(C(F)(F)F)c1 ZINC000738385139 598467886 /nfs/dbraw/zinc/46/78/86/598467886.db2.gz WAWYPERWHHZZBA-CYBMUJFWSA-N -1 3 367.306 3.170 20 0 FGADHM O[C@H](CNc1cccc(F)c1-c1nn[n-]n1)c1cccc(C(F)(F)F)c1 ZINC000738385139 598467887 /nfs/dbraw/zinc/46/78/87/598467887.db2.gz WAWYPERWHHZZBA-CYBMUJFWSA-N -1 3 367.306 3.170 20 0 FGADHM O=C(NCCC1=CCCCC1)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000738054243 598477085 /nfs/dbraw/zinc/47/70/85/598477085.db2.gz DEPDRZYPHMIRJH-UHFFFAOYSA-N -1 3 366.469 3.431 20 0 FGADHM O=C(NCCC1=CCCCC1)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000738054243 598477087 /nfs/dbraw/zinc/47/70/87/598477087.db2.gz DEPDRZYPHMIRJH-UHFFFAOYSA-N -1 3 366.469 3.431 20 0 FGADHM C[C@@H](OC(=O)CCc1cccc(F)c1F)c1cccc(-c2nnn[n-]2)c1 ZINC000736153263 598483085 /nfs/dbraw/zinc/48/30/85/598483085.db2.gz XGSOQWWFUMIWDT-LLVKDONJSA-N -1 3 358.348 3.382 20 0 FGADHM C[C@@H](OC(=O)CCc1cccc(F)c1F)c1cccc(-c2nn[n-]n2)c1 ZINC000736153263 598483086 /nfs/dbraw/zinc/48/30/86/598483086.db2.gz XGSOQWWFUMIWDT-LLVKDONJSA-N -1 3 358.348 3.382 20 0 FGADHM C[C@@H](OC(=O)COc1ccccc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000736156044 598488705 /nfs/dbraw/zinc/48/87/05/598488705.db2.gz SCENQSXJSHCROX-LLVKDONJSA-N -1 3 358.785 3.203 20 0 FGADHM C[C@@H](OC(=O)COc1ccccc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000736156044 598488706 /nfs/dbraw/zinc/48/87/06/598488706.db2.gz SCENQSXJSHCROX-LLVKDONJSA-N -1 3 358.785 3.203 20 0 FGADHM C[C@@H](OC(=O)C=Cc1cnc2ccccc2n1)c1cccc(-c2nnn[n-]2)c1 ZINC000736154390 598488753 /nfs/dbraw/zinc/48/87/53/598488753.db2.gz UWPUCGXARYEPNQ-ASCRHOAZSA-N -1 3 372.388 3.128 20 0 FGADHM C[C@@H](OC(=O)C=Cc1cnc2ccccc2n1)c1cccc(-c2nn[n-]n2)c1 ZINC000736154390 598488755 /nfs/dbraw/zinc/48/87/55/598488755.db2.gz UWPUCGXARYEPNQ-ASCRHOAZSA-N -1 3 372.388 3.128 20 0 FGADHM C[C@H](OC(=O)COc1ccccc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000736156045 598489178 /nfs/dbraw/zinc/48/91/78/598489178.db2.gz SCENQSXJSHCROX-NSHDSACASA-N -1 3 358.785 3.203 20 0 FGADHM C[C@H](OC(=O)COc1ccccc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000736156045 598489179 /nfs/dbraw/zinc/48/91/79/598489179.db2.gz SCENQSXJSHCROX-NSHDSACASA-N -1 3 358.785 3.203 20 0 FGADHM COc1cccc([C@H](C)C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)c1 ZINC000737120486 598490141 /nfs/dbraw/zinc/49/01/41/598490141.db2.gz BYDPPQGTFWZSTR-LBPRGKRZSA-N -1 3 368.441 3.174 20 0 FGADHM COc1cccc([C@H](C)C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)c1 ZINC000737120486 598490143 /nfs/dbraw/zinc/49/01/43/598490143.db2.gz BYDPPQGTFWZSTR-LBPRGKRZSA-N -1 3 368.441 3.174 20 0 FGADHM Cc1cc(C)c(OCC(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c(C)c1 ZINC000737248673 598492255 /nfs/dbraw/zinc/49/22/55/598492255.db2.gz JUUONVOZKULPQM-HNNXBMFYSA-N -1 3 366.421 3.475 20 0 FGADHM Cc1cc(C)c(OCC(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c(C)c1 ZINC000737248673 598492256 /nfs/dbraw/zinc/49/22/56/598492256.db2.gz JUUONVOZKULPQM-HNNXBMFYSA-N -1 3 366.421 3.475 20 0 FGADHM C[C@@H](NC(=O)c1csc(-c2ccoc2)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736123707 598493101 /nfs/dbraw/zinc/49/31/01/598493101.db2.gz BZSHDHSYOGHWOK-SNVBAGLBSA-N -1 3 366.406 3.074 20 0 FGADHM C[C@@H](NC(=O)c1csc(-c2ccoc2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736123707 598493103 /nfs/dbraw/zinc/49/31/03/598493103.db2.gz BZSHDHSYOGHWOK-SNVBAGLBSA-N -1 3 366.406 3.074 20 0 FGADHM CC[C@@H](Sc1cc(-c2nnn[n-]2)ccn1)C(=O)c1ccc(OC)cc1 ZINC000736391781 598493258 /nfs/dbraw/zinc/49/32/58/598493258.db2.gz OIYKVENCPMICIU-CQSZACIVSA-N -1 3 355.423 3.024 20 0 FGADHM CC[C@@H](Sc1cc(-c2nn[n-]n2)ccn1)C(=O)c1ccc(OC)cc1 ZINC000736391781 598493259 /nfs/dbraw/zinc/49/32/59/598493259.db2.gz OIYKVENCPMICIU-CQSZACIVSA-N -1 3 355.423 3.024 20 0 FGADHM Fc1ccccc1Cc1nnc(SCc2ccccc2-c2nnn[n-]2)o1 ZINC000737668149 598497715 /nfs/dbraw/zinc/49/77/15/598497715.db2.gz DRROXVORQKCIMH-UHFFFAOYSA-N -1 3 368.397 3.272 20 0 FGADHM Fc1ccccc1Cc1nnc(SCc2ccccc2-c2nn[n-]n2)o1 ZINC000737668149 598497717 /nfs/dbraw/zinc/49/77/17/598497717.db2.gz DRROXVORQKCIMH-UHFFFAOYSA-N -1 3 368.397 3.272 20 0 FGADHM Cc1nc(CC(C)C)sc1C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737474952 598498995 /nfs/dbraw/zinc/49/89/95/598498995.db2.gz UVERCCUXAZLPKV-LLVKDONJSA-N -1 3 370.482 3.321 20 0 FGADHM Cc1nc(CC(C)C)sc1C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737474952 598498997 /nfs/dbraw/zinc/49/89/97/598498997.db2.gz UVERCCUXAZLPKV-LLVKDONJSA-N -1 3 370.482 3.321 20 0 FGADHM CC[C@@H]1CCCN1C(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000736400708 598501289 /nfs/dbraw/zinc/50/12/89/598501289.db2.gz ARIJWFQTQKAAJS-CYBMUJFWSA-N -1 3 367.409 3.053 20 0 FGADHM CC[C@@H]1CCCN1C(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000736400708 598501291 /nfs/dbraw/zinc/50/12/91/598501291.db2.gz ARIJWFQTQKAAJS-CYBMUJFWSA-N -1 3 367.409 3.053 20 0 FGADHM COc1ccccc1[C@H](Nc1ccc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC000737149010 598502593 /nfs/dbraw/zinc/50/25/93/598502593.db2.gz UTLWBPCFFOSUKF-LJQANCHMSA-N -1 3 358.405 3.472 20 0 FGADHM COc1ccccc1[C@H](Nc1ccc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC000737149010 598502594 /nfs/dbraw/zinc/50/25/94/598502594.db2.gz UTLWBPCFFOSUKF-LJQANCHMSA-N -1 3 358.405 3.472 20 0 FGADHM CCCC[C@@H]1CCC[C@@H]1NC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000736441764 598519736 /nfs/dbraw/zinc/51/97/36/598519736.db2.gz UHQLQMJEPKYYEE-CPUCHLNUSA-N -1 3 357.458 3.109 20 0 FGADHM CC(C)CC[C@H]1CCC[C@H]1NC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000735796884 598526565 /nfs/dbraw/zinc/52/65/65/598526565.db2.gz JPHORQGYPZSSAU-NVXWUHKLSA-N -1 3 356.474 3.271 20 0 FGADHM CC(C)CC[C@H]1CCC[C@H]1NC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000735796884 598526566 /nfs/dbraw/zinc/52/65/66/598526566.db2.gz JPHORQGYPZSSAU-NVXWUHKLSA-N -1 3 356.474 3.271 20 0 FGADHM C[C@@H]1C[C@@H]1NC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000736235877 598532549 /nfs/dbraw/zinc/53/25/49/598532549.db2.gz HRMYLZJRFYENOF-ABAIWWIYSA-N -1 3 350.382 3.189 20 0 FGADHM C[C@@H]1C[C@@H]1NC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000736235877 598532551 /nfs/dbraw/zinc/53/25/51/598532551.db2.gz HRMYLZJRFYENOF-ABAIWWIYSA-N -1 3 350.382 3.189 20 0 FGADHM CC(C)[C@H](C)N(C)C(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000735701845 598538783 /nfs/dbraw/zinc/53/87/83/598538783.db2.gz MXOSBLJGHGPLTO-ZDUSSCGKSA-N -1 3 369.425 3.155 20 0 FGADHM O=C(Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1)c1cccnc1 ZINC000738173400 598544577 /nfs/dbraw/zinc/54/45/77/598544577.db2.gz QAQXAIAAAZFQHU-UHFFFAOYSA-N -1 3 372.388 3.093 20 0 FGADHM O=C(Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1)c1cccnc1 ZINC000738173400 598544580 /nfs/dbraw/zinc/54/45/80/598544580.db2.gz QAQXAIAAAZFQHU-UHFFFAOYSA-N -1 3 372.388 3.093 20 0 FGADHM O=C(COC(=O)c1cccc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000826416345 607360241 /nfs/dbraw/zinc/36/02/41/607360241.db2.gz UZDAPVJYMMNYMO-UHFFFAOYSA-N -1 3 358.357 3.060 20 0 FGADHM O=C(COC(=O)c1cccc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000826416345 607360243 /nfs/dbraw/zinc/36/02/43/607360243.db2.gz UZDAPVJYMMNYMO-UHFFFAOYSA-N -1 3 358.357 3.060 20 0 FGADHM Cc1cc(C(=O)COc2ccc(-c3nnn[n-]3)c(F)c2)c(C)n1C1CC1 ZINC000737227686 598550541 /nfs/dbraw/zinc/55/05/41/598550541.db2.gz PFEZTDXVMOWFNQ-UHFFFAOYSA-N -1 3 355.373 3.021 20 0 FGADHM Cc1cc(C(=O)COc2ccc(-c3nn[n-]n3)c(F)c2)c(C)n1C1CC1 ZINC000737227686 598550542 /nfs/dbraw/zinc/55/05/42/598550542.db2.gz PFEZTDXVMOWFNQ-UHFFFAOYSA-N -1 3 355.373 3.021 20 0 FGADHM Cc1ccc(F)c2c1N(C(=O)CCc1ccc(-c3nnn[n-]3)cc1)CCC2 ZINC000737344734 598554305 /nfs/dbraw/zinc/55/43/05/598554305.db2.gz JWWKOJPWESTFBZ-UHFFFAOYSA-N -1 3 365.412 3.226 20 0 FGADHM Cc1ccc(F)c2c1N(C(=O)CCc1ccc(-c3nn[n-]n3)cc1)CCC2 ZINC000737344734 598554306 /nfs/dbraw/zinc/55/43/06/598554306.db2.gz JWWKOJPWESTFBZ-UHFFFAOYSA-N -1 3 365.412 3.226 20 0 FGADHM CCCOCC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736488978 598554787 /nfs/dbraw/zinc/55/47/87/598554787.db2.gz RNZPQMRZPLXQNL-UHFFFAOYSA-N -1 3 353.382 3.024 20 0 FGADHM CCCOCC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736488978 598554790 /nfs/dbraw/zinc/55/47/90/598554790.db2.gz RNZPQMRZPLXQNL-UHFFFAOYSA-N -1 3 353.382 3.024 20 0 FGADHM CCCN(CCC)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000736473884 598560453 /nfs/dbraw/zinc/56/04/53/598560453.db2.gz UXIXFVGIWZBHIH-UHFFFAOYSA-N -1 3 354.361 3.122 20 0 FGADHM CCCN(CCC)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000736473884 598560455 /nfs/dbraw/zinc/56/04/55/598560455.db2.gz UXIXFVGIWZBHIH-UHFFFAOYSA-N -1 3 354.361 3.122 20 0 FGADHM Cc1ccc(OC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000737364518 598570842 /nfs/dbraw/zinc/57/08/42/598570842.db2.gz LEEHKHLNBBIIJA-SFHVURJKSA-N -1 3 363.421 3.058 20 0 FGADHM O=C(Nc1ccc(Cl)cc1)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738162876 598571181 /nfs/dbraw/zinc/57/11/81/598571181.db2.gz GVPJNUVTTTWNBN-MRXNPFEDSA-N -1 3 368.828 3.128 20 0 FGADHM Cc1ccc(-c2nc(CC(=O)Nc3ccccc3-c3nnn[n-]3)cs2)o1 ZINC000737289216 598573344 /nfs/dbraw/zinc/57/33/44/598573344.db2.gz UGBDFJAEFTUBPD-UHFFFAOYSA-N -1 3 366.406 3.073 20 0 FGADHM Cc1ccc(-c2nc(CC(=O)Nc3ccccc3-c3nn[n-]n3)cs2)o1 ZINC000737289216 598573345 /nfs/dbraw/zinc/57/33/45/598573345.db2.gz UGBDFJAEFTUBPD-UHFFFAOYSA-N -1 3 366.406 3.073 20 0 FGADHM FC(F)(F)c1cc(NCc2cccc3c2OCO3)ccc1-c1nnn[n-]1 ZINC000737632028 598576741 /nfs/dbraw/zinc/57/67/41/598576741.db2.gz IUNQSACLRSJVOR-UHFFFAOYSA-N -1 3 363.299 3.226 20 0 FGADHM FC(F)(F)c1cc(NCc2cccc3c2OCO3)ccc1-c1nn[n-]n1 ZINC000737632028 598576743 /nfs/dbraw/zinc/57/67/43/598576743.db2.gz IUNQSACLRSJVOR-UHFFFAOYSA-N -1 3 363.299 3.226 20 0 FGADHM Cc1cc(C)c(-c2nnn[n-]2)c(NC[C@@H](O)c2ccc3ccccc3c2)n1 ZINC000737239228 598580469 /nfs/dbraw/zinc/58/04/69/598580469.db2.gz BOXJHEXMHGVLKB-QGZVFWFLSA-N -1 3 360.421 3.177 20 0 FGADHM Cc1cc(C)c(-c2nn[n-]n2)c(NC[C@@H](O)c2ccc3ccccc3c2)n1 ZINC000737239228 598580471 /nfs/dbraw/zinc/58/04/71/598580471.db2.gz BOXJHEXMHGVLKB-QGZVFWFLSA-N -1 3 360.421 3.177 20 0 FGADHM CCOCCC(=O)Nc1sc2c(c1-c1nnn[n-]1)-c1ccccc1CC2 ZINC000736611337 598582067 /nfs/dbraw/zinc/58/20/67/598582067.db2.gz PHBAEJPSTLFBJA-UHFFFAOYSA-N -1 3 369.450 3.059 20 0 FGADHM CCOCCC(=O)Nc1sc2c(c1-c1nn[n-]n1)-c1ccccc1CC2 ZINC000736611337 598582069 /nfs/dbraw/zinc/58/20/69/598582069.db2.gz PHBAEJPSTLFBJA-UHFFFAOYSA-N -1 3 369.450 3.059 20 0 FGADHM COc1ccccc1C(C)=CC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737140479 598582834 /nfs/dbraw/zinc/58/28/34/598582834.db2.gz DRZOVSZJIHVUOQ-LUAWRHEFSA-N -1 3 353.357 3.056 20 0 FGADHM COc1ccccc1C(C)=CC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737140479 598582836 /nfs/dbraw/zinc/58/28/36/598582836.db2.gz DRZOVSZJIHVUOQ-LUAWRHEFSA-N -1 3 353.357 3.056 20 0 FGADHM COc1cc(CSc2nc(C)nc(C)c2-c2nnn[n-]2)ccc1SC ZINC000737047923 598585130 /nfs/dbraw/zinc/58/51/30/598585130.db2.gz UNLGJOCFBTXVJM-UHFFFAOYSA-N -1 3 374.495 3.296 20 0 FGADHM COc1cc(CSc2nc(C)nc(C)c2-c2nn[n-]n2)ccc1SC ZINC000737047923 598585132 /nfs/dbraw/zinc/58/51/32/598585132.db2.gz UNLGJOCFBTXVJM-UHFFFAOYSA-N -1 3 374.495 3.296 20 0 FGADHM Cc1ccc(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1-n1cccc1 ZINC000737315549 598587258 /nfs/dbraw/zinc/58/72/58/598587258.db2.gz NXRKABAXURTASX-UHFFFAOYSA-N -1 3 362.368 3.357 20 0 FGADHM Cc1ccc(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1-n1cccc1 ZINC000737315549 598587260 /nfs/dbraw/zinc/58/72/60/598587260.db2.gz NXRKABAXURTASX-UHFFFAOYSA-N -1 3 362.368 3.357 20 0 FGADHM O=C(CC1CC1)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000737813065 598592509 /nfs/dbraw/zinc/59/25/09/598592509.db2.gz GZFFVOTWSVHPEB-UHFFFAOYSA-N -1 3 367.384 3.323 20 0 FGADHM O=C(CC1CC1)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000737813065 598592511 /nfs/dbraw/zinc/59/25/11/598592511.db2.gz GZFFVOTWSVHPEB-UHFFFAOYSA-N -1 3 367.384 3.323 20 0 FGADHM Cc1cc(C)c(-c2nnn[n-]2)c(N[C@@H](c2ccccc2)c2ccccn2)n1 ZINC000737245417 598592546 /nfs/dbraw/zinc/59/25/46/598592546.db2.gz OENJGMNSJIQXFW-SFHVURJKSA-N -1 3 357.421 3.475 20 0 FGADHM Cc1cc(C)c(-c2nn[n-]n2)c(N[C@@H](c2ccccc2)c2ccccn2)n1 ZINC000737245417 598592547 /nfs/dbraw/zinc/59/25/47/598592547.db2.gz OENJGMNSJIQXFW-SFHVURJKSA-N -1 3 357.421 3.475 20 0 FGADHM Cc1ccccc1CC(C)(C)NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000737419730 598593650 /nfs/dbraw/zinc/59/36/50/598593650.db2.gz AWHULSUGJYTCJJ-SEYXRHQNSA-N -1 3 361.449 3.326 20 0 FGADHM Cc1ccccc1CC(C)(C)NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000737419730 598593652 /nfs/dbraw/zinc/59/36/52/598593652.db2.gz AWHULSUGJYTCJJ-SEYXRHQNSA-N -1 3 361.449 3.326 20 0 FGADHM Cc1ccccc1CC(C)(C)NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000737419729 598593856 /nfs/dbraw/zinc/59/38/56/598593856.db2.gz AWHULSUGJYTCJJ-OUKQBFOZSA-N -1 3 361.449 3.326 20 0 FGADHM Cc1ccccc1CC(C)(C)NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000737419729 598593857 /nfs/dbraw/zinc/59/38/57/598593857.db2.gz AWHULSUGJYTCJJ-OUKQBFOZSA-N -1 3 361.449 3.326 20 0 FGADHM CC(C)(C)c1ccccc1NC(=O)CNc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000735652181 598601371 /nfs/dbraw/zinc/60/13/71/598601371.db2.gz DFXYPLQIAZSEKH-UHFFFAOYSA-N -1 3 368.416 3.354 20 0 FGADHM CC(C)(C)c1ccccc1NC(=O)CNc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000735652181 598601373 /nfs/dbraw/zinc/60/13/73/598601373.db2.gz DFXYPLQIAZSEKH-UHFFFAOYSA-N -1 3 368.416 3.354 20 0 FGADHM CCC[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000736435019 598608449 /nfs/dbraw/zinc/60/84/49/598608449.db2.gz ISAYGXGBKVYBFZ-IIAWOOMASA-N -1 3 357.458 3.109 20 0 FGADHM CCC[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000736435019 598608451 /nfs/dbraw/zinc/60/84/51/598608451.db2.gz ISAYGXGBKVYBFZ-IIAWOOMASA-N -1 3 357.458 3.109 20 0 FGADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)c1nc(Cc2cccs2)no1 ZINC000736189878 598608823 /nfs/dbraw/zinc/60/88/23/598608823.db2.gz UGJVADLEOCJWCU-JTQLQIEISA-N -1 3 354.395 3.042 20 0 FGADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)c1nc(Cc2cccs2)no1 ZINC000736189878 598608825 /nfs/dbraw/zinc/60/88/25/598608825.db2.gz UGJVADLEOCJWCU-JTQLQIEISA-N -1 3 354.395 3.042 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000738164056 598628953 /nfs/dbraw/zinc/62/89/53/598628953.db2.gz WYPRSQSDJNBHKZ-KCXRBIIJSA-N -1 3 356.405 3.048 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000738164056 598628956 /nfs/dbraw/zinc/62/89/56/598628956.db2.gz WYPRSQSDJNBHKZ-KCXRBIIJSA-N -1 3 356.405 3.048 20 0 FGADHM COc1ccc(CCNc2cc(Cl)ccc2-c2nnn[n-]2)cc1OC ZINC000737090433 598629279 /nfs/dbraw/zinc/62/92/79/598629279.db2.gz OFLPFEDHSJRNAJ-UHFFFAOYSA-N -1 3 359.817 3.192 20 0 FGADHM COc1ccc(CCNc2cc(Cl)ccc2-c2nn[n-]n2)cc1OC ZINC000737090433 598629281 /nfs/dbraw/zinc/62/92/81/598629281.db2.gz OFLPFEDHSJRNAJ-UHFFFAOYSA-N -1 3 359.817 3.192 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N[C@H]1CCCc2ccccc21 ZINC000738165321 598631667 /nfs/dbraw/zinc/63/16/67/598631667.db2.gz CDIGNOYHLYKJIJ-INIZCTEOSA-N -1 3 352.373 3.205 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N[C@H]1CCCc2ccccc21 ZINC000738165321 598631670 /nfs/dbraw/zinc/63/16/70/598631670.db2.gz CDIGNOYHLYKJIJ-INIZCTEOSA-N -1 3 352.373 3.205 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N[C@@H]1CCSc2ccccc21 ZINC000738168281 598634683 /nfs/dbraw/zinc/63/46/83/598634683.db2.gz YBELFIREPBGQFT-CQSZACIVSA-N -1 3 370.413 3.364 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N[C@@H]1CCSc2ccccc21 ZINC000738168281 598634685 /nfs/dbraw/zinc/63/46/85/598634685.db2.gz YBELFIREPBGQFT-CQSZACIVSA-N -1 3 370.413 3.364 20 0 FGADHM C[C@@H](CCc1ccccc1)NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000735992350 598647064 /nfs/dbraw/zinc/64/70/64/598647064.db2.gz CRQORLLZSSCXSW-AWEZNQCLSA-N -1 3 367.478 3.096 20 0 FGADHM C[C@@H](CCc1ccccc1)NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000735992350 598647065 /nfs/dbraw/zinc/64/70/65/598647065.db2.gz CRQORLLZSSCXSW-AWEZNQCLSA-N -1 3 367.478 3.096 20 0 FGADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)Nc1ccc(Cl)cn1 ZINC000737833656 598649250 /nfs/dbraw/zinc/64/92/50/598649250.db2.gz ZMMYYXFRSQGMEO-UHFFFAOYSA-N -1 3 372.816 3.103 20 0 FGADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)Nc1ccc(Cl)cn1 ZINC000737833656 598649251 /nfs/dbraw/zinc/64/92/51/598649251.db2.gz ZMMYYXFRSQGMEO-UHFFFAOYSA-N -1 3 372.816 3.103 20 0 FGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N[C@H](c1cccs1)C1CC1 ZINC000737943676 598650736 /nfs/dbraw/zinc/65/07/36/598650736.db2.gz UROAAUSTMVENLU-INIZCTEOSA-N -1 3 371.491 3.288 20 0 FGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N[C@H](c1cccs1)C1CC1 ZINC000737943676 598650737 /nfs/dbraw/zinc/65/07/37/598650737.db2.gz UROAAUSTMVENLU-INIZCTEOSA-N -1 3 371.491 3.288 20 0 FGADHM CC(C)CN(C(=O)CC[C@@H]1CCCCO1)c1ccc(-c2nnn[n-]2)cc1 ZINC000735819443 598651165 /nfs/dbraw/zinc/65/11/65/598651165.db2.gz VRCSQYNNJLIBLP-KRWDZBQOSA-N -1 3 357.458 3.205 20 0 FGADHM CC(C)CN(C(=O)CC[C@@H]1CCCCO1)c1ccc(-c2nn[n-]n2)cc1 ZINC000735819443 598651166 /nfs/dbraw/zinc/65/11/66/598651166.db2.gz VRCSQYNNJLIBLP-KRWDZBQOSA-N -1 3 357.458 3.205 20 0 FGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)Nc1cnc2ccccc2c1 ZINC000737946339 598651546 /nfs/dbraw/zinc/65/15/46/598651546.db2.gz BFNVEKBYUYWVGA-UHFFFAOYSA-N -1 3 362.418 3.146 20 0 FGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)Nc1cnc2ccccc2c1 ZINC000737946339 598651547 /nfs/dbraw/zinc/65/15/47/598651547.db2.gz BFNVEKBYUYWVGA-UHFFFAOYSA-N -1 3 362.418 3.146 20 0 FGADHM CCN(C(=O)c1ncoc1C(C)C)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736509158 598651600 /nfs/dbraw/zinc/65/16/00/598651600.db2.gz TWRKZHWLDUMVML-GFCCVEGCSA-N -1 3 354.414 3.201 20 0 FGADHM CCN(C(=O)c1ncoc1C(C)C)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736509158 598651602 /nfs/dbraw/zinc/65/16/02/598651602.db2.gz TWRKZHWLDUMVML-GFCCVEGCSA-N -1 3 354.414 3.201 20 0 FGADHM CCC[C@@H](C)N(C)C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000736424278 598652894 /nfs/dbraw/zinc/65/28/94/598652894.db2.gz PVCZENOAMXXZLR-CYBMUJFWSA-N -1 3 366.425 3.315 20 0 FGADHM CCC[C@@H](C)N(C)C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000736424278 598652896 /nfs/dbraw/zinc/65/28/96/598652896.db2.gz PVCZENOAMXXZLR-CYBMUJFWSA-N -1 3 366.425 3.315 20 0 FGADHM CC[C@H](C)[C@H](C)NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000736328701 598654358 /nfs/dbraw/zinc/65/43/58/598654358.db2.gz HWRZHLGWLQBGDI-STQMWFEESA-N -1 3 366.425 3.218 20 0 FGADHM CC[C@H](C)[C@H](C)NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000736328701 598654361 /nfs/dbraw/zinc/65/43/61/598654361.db2.gz HWRZHLGWLQBGDI-STQMWFEESA-N -1 3 366.425 3.218 20 0 FGADHM C[C@@H]1CCC[C@H](CNC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)C1 ZINC000736254085 598654603 /nfs/dbraw/zinc/65/46/03/598654603.db2.gz XSVVLAXEZATAOK-CVEARBPZSA-N -1 3 371.485 3.358 20 0 FGADHM C[C@@H]1CCC[C@H](CNC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)C1 ZINC000736254085 598654605 /nfs/dbraw/zinc/65/46/05/598654605.db2.gz XSVVLAXEZATAOK-CVEARBPZSA-N -1 3 371.485 3.358 20 0 FGADHM CCOc1cc(F)ccc1NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736626396 598655217 /nfs/dbraw/zinc/65/52/17/598655217.db2.gz SKNKSSZEOKKCKU-UHFFFAOYSA-N -1 3 373.413 3.135 20 0 FGADHM CCOc1cc(F)ccc1NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736626396 598655218 /nfs/dbraw/zinc/65/52/18/598655218.db2.gz SKNKSSZEOKKCKU-UHFFFAOYSA-N -1 3 373.413 3.135 20 0 FGADHM Cc1ccc2c(c1)CC[C@@H]2NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000737379432 598655588 /nfs/dbraw/zinc/65/55/88/598655588.db2.gz XWNQODIRTRJTRN-KRWDZBQOSA-N -1 3 365.462 3.071 20 0 FGADHM Cc1ccc2c(c1)CC[C@@H]2NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000737379432 598655590 /nfs/dbraw/zinc/65/55/90/598655590.db2.gz XWNQODIRTRJTRN-KRWDZBQOSA-N -1 3 365.462 3.071 20 0 FGADHM C[C@@H]1CCCN(C(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736267936 598656333 /nfs/dbraw/zinc/65/63/33/598656333.db2.gz VCDMYTUPIDURFF-OAHLLOKOSA-N -1 3 357.458 3.064 20 0 FGADHM C[C@@H]1CCCN(C(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736267936 598656335 /nfs/dbraw/zinc/65/63/35/598656335.db2.gz VCDMYTUPIDURFF-OAHLLOKOSA-N -1 3 357.458 3.064 20 0 FGADHM CC[C@@H](Sc1ccccc1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC000736393344 598656466 /nfs/dbraw/zinc/65/64/66/598656466.db2.gz XIPFSOXQBANKGD-MRXNPFEDSA-N -1 3 369.450 3.385 20 0 FGADHM CC[C@@H](Sc1ccccc1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC000736393344 598656468 /nfs/dbraw/zinc/65/64/68/598656468.db2.gz XIPFSOXQBANKGD-MRXNPFEDSA-N -1 3 369.450 3.385 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc(C)c(Cl)c1 ZINC000736634106 598656754 /nfs/dbraw/zinc/65/67/54/598656754.db2.gz HKJMITUCXMTBOW-UHFFFAOYSA-N -1 3 357.801 3.480 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(C)c(Cl)c1 ZINC000736634106 598656756 /nfs/dbraw/zinc/65/67/56/598656756.db2.gz HKJMITUCXMTBOW-UHFFFAOYSA-N -1 3 357.801 3.480 20 0 FGADHM C[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)cn1)c1c(Cl)cccc1Cl ZINC000735550891 598658732 /nfs/dbraw/zinc/65/87/32/598658732.db2.gz MQUVVZNQPWDHKW-QMMMGPOBSA-N -1 3 363.208 3.311 20 0 FGADHM C[C@H](C(=O)Nc1ccc(-c2nn[n-]n2)cn1)c1c(Cl)cccc1Cl ZINC000735550891 598658733 /nfs/dbraw/zinc/65/87/33/598658733.db2.gz MQUVVZNQPWDHKW-QMMMGPOBSA-N -1 3 363.208 3.311 20 0 FGADHM C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000736190662 598664077 /nfs/dbraw/zinc/66/40/77/598664077.db2.gz GIZFCTFFXGJLCZ-VIFPVBQESA-N -1 3 360.830 3.034 20 0 FGADHM C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000736190662 598664078 /nfs/dbraw/zinc/66/40/78/598664078.db2.gz GIZFCTFFXGJLCZ-VIFPVBQESA-N -1 3 360.830 3.034 20 0 FGADHM C[C@@H](CCNc1ccc(-c2nnn[n-]2)c(Cl)c1)NC(=O)OC(C)(C)C ZINC000735986447 598667689 /nfs/dbraw/zinc/66/76/89/598667689.db2.gz NOGKKGCDHNGCLF-JTQLQIEISA-N -1 3 366.853 3.235 20 0 FGADHM C[C@@H](CCNc1ccc(-c2nn[n-]n2)c(Cl)c1)NC(=O)OC(C)(C)C ZINC000735986447 598667691 /nfs/dbraw/zinc/66/76/91/598667691.db2.gz NOGKKGCDHNGCLF-JTQLQIEISA-N -1 3 366.853 3.235 20 0 FGADHM C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736297500 598671723 /nfs/dbraw/zinc/67/17/23/598671723.db2.gz NDHNRTGTUCAWJS-KZULUSFZSA-N -1 3 365.462 3.009 20 0 FGADHM C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736297500 598671724 /nfs/dbraw/zinc/67/17/24/598671724.db2.gz NDHNRTGTUCAWJS-KZULUSFZSA-N -1 3 365.462 3.009 20 0 FGADHM Cc1nc(C2(NCc3ccc(F)cc3-c3nnn[n-]3)CCCCCC2)no1 ZINC000737474116 598682796 /nfs/dbraw/zinc/68/27/96/598682796.db2.gz LCTSZBVKJIPSJW-UHFFFAOYSA-N -1 3 371.420 3.037 20 0 FGADHM Cc1nc(C2(NCc3ccc(F)cc3-c3nn[n-]n3)CCCCCC2)no1 ZINC000737474116 598682797 /nfs/dbraw/zinc/68/27/97/598682797.db2.gz LCTSZBVKJIPSJW-UHFFFAOYSA-N -1 3 371.420 3.037 20 0 FGADHM Fc1ccc(-c2ccn(CCCOc3ccc(-c4nn[n-]n4)cc3)n2)cc1 ZINC000737651479 598698682 /nfs/dbraw/zinc/69/86/82/598698682.db2.gz KTEQANLCYHCLKB-UHFFFAOYSA-N -1 3 364.384 3.338 20 0 FGADHM Cc1ccc(C(=O)OCCOc2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC000737314824 598713774 /nfs/dbraw/zinc/71/37/74/598713774.db2.gz IQDOGBAVYOIAKC-UHFFFAOYSA-N -1 3 358.785 3.064 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N(CCc1ccccc1)C1CC1 ZINC000738162232 598726640 /nfs/dbraw/zinc/72/66/40/598726640.db2.gz KMVGKYWICMOGNU-UHFFFAOYSA-N -1 3 366.400 3.245 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N(CCc1ccccc1)C1CC1 ZINC000738162232 598726641 /nfs/dbraw/zinc/72/66/41/598726641.db2.gz KMVGKYWICMOGNU-UHFFFAOYSA-N -1 3 366.400 3.245 20 0 FGADHM COC[C@H](C)C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000736966829 598736432 /nfs/dbraw/zinc/73/64/32/598736432.db2.gz BYYGHGLDQDQXLO-ZDUSSCGKSA-N -1 3 367.409 3.188 20 0 FGADHM COC[C@H](C)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000736966829 598736433 /nfs/dbraw/zinc/73/64/33/598736433.db2.gz BYYGHGLDQDQXLO-ZDUSSCGKSA-N -1 3 367.409 3.188 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1cc(F)c(Cl)nc1Cl ZINC000738167719 598738666 /nfs/dbraw/zinc/73/86/66/598738666.db2.gz RWTHCWCSVZTJNN-UHFFFAOYSA-N -1 3 371.134 3.099 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1cc(F)c(Cl)nc1Cl ZINC000738167719 598738667 /nfs/dbraw/zinc/73/86/67/598738667.db2.gz RWTHCWCSVZTJNN-UHFFFAOYSA-N -1 3 371.134 3.099 20 0 FGADHM COCCSc1ccc([C@H](C)Nc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000737013744 598755706 /nfs/dbraw/zinc/75/57/06/598755706.db2.gz KMHHZCUKDXFFHF-LBPRGKRZSA-N -1 3 356.455 3.173 20 0 FGADHM COCCSc1ccc([C@H](C)Nc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000737013744 598755707 /nfs/dbraw/zinc/75/57/07/598755707.db2.gz KMHHZCUKDXFFHF-LBPRGKRZSA-N -1 3 356.455 3.173 20 0 FGADHM Cc1cccnc1CNc1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21 ZINC000737433394 598771992 /nfs/dbraw/zinc/77/19/92/598771992.db2.gz DYKAEHBDIKHAOX-UHFFFAOYSA-N -1 3 353.336 3.009 20 0 FGADHM Cc1cccnc1CNc1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21 ZINC000737433394 598771993 /nfs/dbraw/zinc/77/19/93/598771993.db2.gz DYKAEHBDIKHAOX-UHFFFAOYSA-N -1 3 353.336 3.009 20 0 FGADHM Fc1ccc(COc2ccc(Br)c(F)c2)c(-c2nnn[n-]2)c1 ZINC000737651900 598775590 /nfs/dbraw/zinc/77/55/90/598775590.db2.gz ZFBJBNXUPZXDMG-UHFFFAOYSA-N -1 3 367.153 3.486 20 0 FGADHM Fc1ccc(COc2ccc(Br)c(F)c2)c(-c2nn[n-]n2)c1 ZINC000737651900 598775592 /nfs/dbraw/zinc/77/55/92/598775592.db2.gz ZFBJBNXUPZXDMG-UHFFFAOYSA-N -1 3 367.153 3.486 20 0 FGADHM CC(C)(C)COC(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000735618389 598785405 /nfs/dbraw/zinc/78/54/05/598785405.db2.gz LYXFMMVKZLUAGQ-UHFFFAOYSA-N -1 3 356.382 3.242 20 0 FGADHM CC(C)(C)COC(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000735618389 598785406 /nfs/dbraw/zinc/78/54/06/598785406.db2.gz LYXFMMVKZLUAGQ-UHFFFAOYSA-N -1 3 356.382 3.242 20 0 FGADHM CCC[C@@H](NC(=S)Nc1ccccc1-c1nnn[n-]1)c1ccccn1 ZINC000736435756 598788944 /nfs/dbraw/zinc/78/89/44/598788944.db2.gz LRFBJWHUHLAPTH-OAHLLOKOSA-N -1 3 353.455 3.090 20 0 FGADHM CCC[C@@H](NC(=S)Nc1ccccc1-c1nn[n-]n1)c1ccccn1 ZINC000736435756 598788946 /nfs/dbraw/zinc/78/89/46/598788946.db2.gz LRFBJWHUHLAPTH-OAHLLOKOSA-N -1 3 353.455 3.090 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)c1cccc(C(F)F)c1 ZINC000736626911 598790252 /nfs/dbraw/zinc/79/02/52/598790252.db2.gz MPOFDEMBCOIQGN-UHFFFAOYSA-N -1 3 360.320 3.422 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)c1cccc(C(F)F)c1 ZINC000736626911 598790253 /nfs/dbraw/zinc/79/02/53/598790253.db2.gz MPOFDEMBCOIQGN-UHFFFAOYSA-N -1 3 360.320 3.422 20 0 FGADHM CC(C)[C@H](c1ccccc1)N(C)C(=O)COc1ccccc1-c1nnn[n-]1 ZINC000735734280 598790950 /nfs/dbraw/zinc/79/09/50/598790950.db2.gz GRHGUEKPMKNTAZ-LJQANCHMSA-N -1 3 365.437 3.101 20 0 FGADHM CC(C)[C@H](c1ccccc1)N(C)C(=O)COc1ccccc1-c1nn[n-]n1 ZINC000735734280 598790951 /nfs/dbraw/zinc/79/09/51/598790951.db2.gz GRHGUEKPMKNTAZ-LJQANCHMSA-N -1 3 365.437 3.101 20 0 FGADHM O=C(c1sccc1-c1nnn[n-]1)N1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000738288138 598794264 /nfs/dbraw/zinc/79/42/64/598794264.db2.gz AUHFGQWDRCAJTG-ZDUSSCGKSA-N -1 3 361.377 3.184 20 0 FGADHM O=C(c1sccc1-c1nn[n-]n1)N1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000738288138 598794266 /nfs/dbraw/zinc/79/42/66/598794266.db2.gz AUHFGQWDRCAJTG-ZDUSSCGKSA-N -1 3 361.377 3.184 20 0 FGADHM Clc1ccc(NCCc2ccn(-c3ccccc3)n2)c(-c2nnn[n-]2)c1 ZINC000737572927 598795915 /nfs/dbraw/zinc/79/59/15/598795915.db2.gz BOHHEZYPQLFLPF-UHFFFAOYSA-N -1 3 365.828 3.360 20 0 FGADHM Clc1ccc(NCCc2ccn(-c3ccccc3)n2)c(-c2nn[n-]n2)c1 ZINC000737572927 598795917 /nfs/dbraw/zinc/79/59/17/598795917.db2.gz BOHHEZYPQLFLPF-UHFFFAOYSA-N -1 3 365.828 3.360 20 0 FGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)N[C@H](c1ccccc1)C1CCC1 ZINC000738101141 598801241 /nfs/dbraw/zinc/80/12/41/598801241.db2.gz FTEOUCOIHRDSLO-GOSISDBHSA-N -1 3 362.437 3.207 20 0 FGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)N[C@H](c1ccccc1)C1CCC1 ZINC000738101141 598801243 /nfs/dbraw/zinc/80/12/43/598801243.db2.gz FTEOUCOIHRDSLO-GOSISDBHSA-N -1 3 362.437 3.207 20 0 FGADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)N[C@H](c1ccccc1)C1CCC1 ZINC000738117949 598801778 /nfs/dbraw/zinc/80/17/78/598801778.db2.gz ZQMRUWPFQJCGQJ-GOSISDBHSA-N -1 3 362.437 3.207 20 0 FGADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)N[C@H](c1ccccc1)C1CCC1 ZINC000738117949 598801780 /nfs/dbraw/zinc/80/17/80/598801780.db2.gz ZQMRUWPFQJCGQJ-GOSISDBHSA-N -1 3 362.437 3.207 20 0 FGADHM CC[C@@H](OC1CCCC1)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736375595 598804174 /nfs/dbraw/zinc/80/41/74/598804174.db2.gz IKUQGBLEEGDHHC-CQSZACIVSA-N -1 3 360.462 3.100 20 0 FGADHM CC[C@@H](OC1CCCC1)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736375595 598804175 /nfs/dbraw/zinc/80/41/75/598804175.db2.gz IKUQGBLEEGDHHC-CQSZACIVSA-N -1 3 360.462 3.100 20 0 FGADHM c1ccc(OC2CCC2)c(CNc2nc3c(cc2-c2nnn[n-]2)CCC3)c1 ZINC000738436488 599306610 /nfs/dbraw/zinc/30/66/10/599306610.db2.gz RNFSPDRUVHEXCU-UHFFFAOYSA-N -1 3 362.437 3.294 20 0 FGADHM c1ccc(OC2CCC2)c(CNc2nc3c(cc2-c2nn[n-]n2)CCC3)c1 ZINC000738436488 599306612 /nfs/dbraw/zinc/30/66/12/599306612.db2.gz RNFSPDRUVHEXCU-UHFFFAOYSA-N -1 3 362.437 3.294 20 0 FGADHM CCCc1nc(C)c(C(=O)N(CC)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000736495835 599310805 /nfs/dbraw/zinc/31/08/05/599310805.db2.gz SLBDCUNXHNKACR-UHFFFAOYSA-N -1 3 356.455 3.251 20 0 FGADHM CCCc1nc(C)c(C(=O)N(CC)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000736495835 599310808 /nfs/dbraw/zinc/31/08/08/599310808.db2.gz SLBDCUNXHNKACR-UHFFFAOYSA-N -1 3 356.455 3.251 20 0 FGADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H]1C[C@@]12CCCc1ccccc12 ZINC000821608500 599313622 /nfs/dbraw/zinc/31/36/22/599313622.db2.gz KEHCTLQPTCUSCF-DENIHFKCSA-N -1 3 373.460 3.119 20 0 FGADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H]1C[C@@]12CCCc1ccccc12 ZINC000821608500 599313624 /nfs/dbraw/zinc/31/36/24/599313624.db2.gz KEHCTLQPTCUSCF-DENIHFKCSA-N -1 3 373.460 3.119 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1CSCc1nc(CCC(C)C)no1 ZINC000821753110 607368217 /nfs/dbraw/zinc/36/82/17/607368217.db2.gz ZZRPCHFIJYSXKZ-UHFFFAOYSA-N -1 3 374.470 3.280 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1CSCc1nc(CCC(C)C)no1 ZINC000821753110 607368218 /nfs/dbraw/zinc/36/82/18/607368218.db2.gz ZZRPCHFIJYSXKZ-UHFFFAOYSA-N -1 3 374.470 3.280 20 0 FGADHM C[C@@H](SCC(=O)N(C)c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736187806 599327362 /nfs/dbraw/zinc/32/73/62/599327362.db2.gz CBLKSVFCQLVOIK-CYBMUJFWSA-N -1 3 353.451 3.324 20 0 FGADHM C[C@@H](SCC(=O)N(C)c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736187806 599327365 /nfs/dbraw/zinc/32/73/65/599327365.db2.gz CBLKSVFCQLVOIK-CYBMUJFWSA-N -1 3 353.451 3.324 20 0 FGADHM O=C(CSc1ccccc1-c1nnn[n-]1)NC1(c2ccccc2)CCC1 ZINC000823071068 599346348 /nfs/dbraw/zinc/34/63/48/599346348.db2.gz ZURDRCADFJTUDF-UHFFFAOYSA-N -1 3 365.462 3.154 20 0 FGADHM O=C(CSc1ccccc1-c1nn[n-]n1)NC1(c2ccccc2)CCC1 ZINC000823071068 599346350 /nfs/dbraw/zinc/34/63/50/599346350.db2.gz ZURDRCADFJTUDF-UHFFFAOYSA-N -1 3 365.462 3.154 20 0 FGADHM CSc1nc2ncnc(N[C@H](C)c3cccc(-c4nnn[n-]4)c3)c2s1 ZINC000821988560 599352717 /nfs/dbraw/zinc/35/27/17/599352717.db2.gz FGTIZWBKLVHPTE-MRVPVSSYSA-N -1 3 370.467 3.161 20 0 FGADHM CSc1nc2ncnc(N[C@H](C)c3cccc(-c4nn[n-]n4)c3)c2s1 ZINC000821988560 599352718 /nfs/dbraw/zinc/35/27/18/599352718.db2.gz FGTIZWBKLVHPTE-MRVPVSSYSA-N -1 3 370.467 3.161 20 0 FGADHM C[C@@H](CC(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@H](C)C2)n1cccc1 ZINC000736280911 599369172 /nfs/dbraw/zinc/36/91/72/599369172.db2.gz RGLFBGPZRKMJPK-RYUDHWBXSA-N -1 3 370.482 3.444 20 0 FGADHM C[C@@H](CC(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@H](C)C2)n1cccc1 ZINC000736280911 599369174 /nfs/dbraw/zinc/36/91/74/599369174.db2.gz RGLFBGPZRKMJPK-RYUDHWBXSA-N -1 3 370.482 3.444 20 0 FGADHM COc1ccccc1CSCCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000737152569 599370181 /nfs/dbraw/zinc/37/01/81/599370181.db2.gz LVSFZXQFIUKUJN-UHFFFAOYSA-N -1 3 369.450 3.137 20 0 FGADHM COc1ccccc1CSCCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000737152569 599370183 /nfs/dbraw/zinc/37/01/83/599370183.db2.gz LVSFZXQFIUKUJN-UHFFFAOYSA-N -1 3 369.450 3.137 20 0 FGADHM CSC[C@H](C)NC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737175856 599380520 /nfs/dbraw/zinc/38/05/20/599380520.db2.gz IMBNZLZUJBCRRM-LBPRGKRZSA-N -1 3 369.450 3.140 20 0 FGADHM CSC[C@H](C)NC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737175856 599380522 /nfs/dbraw/zinc/38/05/22/599380522.db2.gz IMBNZLZUJBCRRM-LBPRGKRZSA-N -1 3 369.450 3.140 20 0 FGADHM CCN(CC)C(=O)c1ccc(OCc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000821175554 599386725 /nfs/dbraw/zinc/38/67/25/599386725.db2.gz OMZMEIPGQSSUJV-UHFFFAOYSA-N -1 3 369.400 3.067 20 0 FGADHM CCN(CC)C(=O)c1ccc(OCc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000821175554 599386726 /nfs/dbraw/zinc/38/67/26/599386726.db2.gz OMZMEIPGQSSUJV-UHFFFAOYSA-N -1 3 369.400 3.067 20 0 FGADHM Cc1sc(NC(=O)COc2c(C)cc(-c3nn[n-]n3)cc2C)c(C)c1C ZINC000822128320 599389543 /nfs/dbraw/zinc/38/95/43/599389543.db2.gz AXWYVHFIDSADDC-UHFFFAOYSA-N -1 3 371.466 3.488 20 0 FGADHM CCC[C@@H]1CCCC[C@H]1NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000821039153 599434289 /nfs/dbraw/zinc/43/42/89/599434289.db2.gz APARKMXQFYOCEF-MLGOLLRUSA-N -1 3 360.437 3.164 20 0 FGADHM CCC[C@@H]1CCCC[C@H]1NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000821039153 599434291 /nfs/dbraw/zinc/43/42/91/599434291.db2.gz APARKMXQFYOCEF-MLGOLLRUSA-N -1 3 360.437 3.164 20 0 FGADHM COc1ccc(CNc2cc(C)c(Cl)cc2OC)cc1-c1nnn[n-]1 ZINC000821717560 599439880 /nfs/dbraw/zinc/43/98/80/599439880.db2.gz QKRFOEPXBWFPHC-UHFFFAOYSA-N -1 3 359.817 3.458 20 0 FGADHM COc1ccc(CNc2cc(C)c(Cl)cc2OC)cc1-c1nn[n-]n1 ZINC000821717560 599439883 /nfs/dbraw/zinc/43/98/83/599439883.db2.gz QKRFOEPXBWFPHC-UHFFFAOYSA-N -1 3 359.817 3.458 20 0 FGADHM CCc1ccc(CCNC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821483173 599443416 /nfs/dbraw/zinc/44/34/16/599443416.db2.gz ZPUIOMCHFDQJFT-AWEZNQCLSA-N -1 3 364.453 3.032 20 0 FGADHM CCc1ccc(CCNC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821483173 599443419 /nfs/dbraw/zinc/44/34/19/599443419.db2.gz ZPUIOMCHFDQJFT-AWEZNQCLSA-N -1 3 364.453 3.032 20 0 FGADHM CCN(C(=O)CC[C@@H]1CC[C@H](C)O1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821147506 599455429 /nfs/dbraw/zinc/45/54/29/599455429.db2.gz HFRVBIZTWUHSMH-ZQIUZPCESA-N -1 3 357.458 3.124 20 0 FGADHM CCN(C(=O)CC[C@@H]1CC[C@H](C)O1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821147506 599455434 /nfs/dbraw/zinc/45/54/34/599455434.db2.gz HFRVBIZTWUHSMH-ZQIUZPCESA-N -1 3 357.458 3.124 20 0 FGADHM CCN(Cc1ccc(C)cc1)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000821220636 599459155 /nfs/dbraw/zinc/45/91/55/599459155.db2.gz CWLVIZIRIFOELJ-UHFFFAOYSA-N -1 3 368.416 3.046 20 0 FGADHM CCN(Cc1ccc(C)cc1)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000821220636 599459157 /nfs/dbraw/zinc/45/91/57/599459157.db2.gz CWLVIZIRIFOELJ-UHFFFAOYSA-N -1 3 368.416 3.046 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)C(C)(C)c1cccc(Cl)c1 ZINC000737023735 599465896 /nfs/dbraw/zinc/46/58/96/599465896.db2.gz BQLZUZXYCDPIOB-UHFFFAOYSA-N -1 3 372.812 3.412 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)C(C)(C)c1cccc(Cl)c1 ZINC000737023735 599465897 /nfs/dbraw/zinc/46/58/97/599465897.db2.gz BQLZUZXYCDPIOB-UHFFFAOYSA-N -1 3 372.812 3.412 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N[C@@H](Cc1ccccc1)C1CC1 ZINC000737795608 599468460 /nfs/dbraw/zinc/46/84/60/599468460.db2.gz BBGOVEDOMOKJIC-HYSAVQALSA-N -1 3 359.433 3.017 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N[C@@H](Cc1ccccc1)C1CC1 ZINC000737795608 599468462 /nfs/dbraw/zinc/46/84/62/599468462.db2.gz BBGOVEDOMOKJIC-HYSAVQALSA-N -1 3 359.433 3.017 20 0 FGADHM Fc1ccc(NCc2ccnc(OC3CCCC3)c2)c(-c2nnn[n-]2)c1 ZINC000822782932 599472740 /nfs/dbraw/zinc/47/27/40/599472740.db2.gz MHIBZDHMSPHPJA-UHFFFAOYSA-N -1 3 354.389 3.334 20 0 FGADHM Fc1ccc(NCc2ccnc(OC3CCCC3)c2)c(-c2nn[n-]n2)c1 ZINC000822782932 599472741 /nfs/dbraw/zinc/47/27/41/599472741.db2.gz MHIBZDHMSPHPJA-UHFFFAOYSA-N -1 3 354.389 3.334 20 0 FGADHM CC[C@@H](CNC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000820908278 599476629 /nfs/dbraw/zinc/47/66/29/599476629.db2.gz JXNNOOOZGMKBCM-GJZGRUSLSA-N -1 3 364.453 3.421 20 0 FGADHM CC[C@@H](CNC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000820908278 599476631 /nfs/dbraw/zinc/47/66/31/599476631.db2.gz JXNNOOOZGMKBCM-GJZGRUSLSA-N -1 3 364.453 3.421 20 0 FGADHM Cc1cccc2c1CC[C@H]2NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822340832 599485139 /nfs/dbraw/zinc/48/51/39/599485139.db2.gz JXKMQTZTYHRUPQ-SCLBCKFNSA-N -1 3 362.437 3.223 20 0 FGADHM Cc1cccc2c1CC[C@H]2NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822340832 599485141 /nfs/dbraw/zinc/48/51/41/599485141.db2.gz JXKMQTZTYHRUPQ-SCLBCKFNSA-N -1 3 362.437 3.223 20 0 FGADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1CCC(OCC(C)C)CC1 ZINC000822331305 599487943 /nfs/dbraw/zinc/48/79/43/599487943.db2.gz CLSWSQNLBIRVNF-UHFFFAOYSA-N -1 3 366.469 3.365 20 0 FGADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N1CCC(OCC(C)C)CC1 ZINC000822331305 599487946 /nfs/dbraw/zinc/48/79/46/599487946.db2.gz CLSWSQNLBIRVNF-UHFFFAOYSA-N -1 3 366.469 3.365 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000738152135 599493637 /nfs/dbraw/zinc/49/36/37/599493637.db2.gz OPXALEZXZVPRQO-AWEZNQCLSA-N -1 3 366.400 3.102 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000738152135 599493639 /nfs/dbraw/zinc/49/36/39/599493639.db2.gz OPXALEZXZVPRQO-AWEZNQCLSA-N -1 3 366.400 3.102 20 0 FGADHM CSCC[C@H](C)N(C)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737177560 599498761 /nfs/dbraw/zinc/49/87/61/599498761.db2.gz SYWQXXCYFDJHKT-VIFPVBQESA-N -1 3 354.867 3.125 20 0 FGADHM CSCC[C@H](C)N(C)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737177560 599498763 /nfs/dbraw/zinc/49/87/63/599498763.db2.gz SYWQXXCYFDJHKT-VIFPVBQESA-N -1 3 354.867 3.125 20 0 FGADHM C[C@@H](NC(=O)C=Cc1ccc(Cl)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820322094 599501241 /nfs/dbraw/zinc/50/12/41/599501241.db2.gz QPMPKAAQHISYNL-MQGYJPLLSA-N -1 3 353.813 3.411 20 0 FGADHM C[C@@H](NC(=O)C=Cc1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820322094 599501242 /nfs/dbraw/zinc/50/12/42/599501242.db2.gz QPMPKAAQHISYNL-MQGYJPLLSA-N -1 3 353.813 3.411 20 0 FGADHM C[C@@H](NC(=O)[C@@H]1SCCc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820321001 599503674 /nfs/dbraw/zinc/50/36/74/599503674.db2.gz AQLRJSRDIGYUMO-SJKOYZFVSA-N -1 3 365.462 3.075 20 0 FGADHM C[C@@H](NC(=O)[C@@H]1SCCc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820321001 599503677 /nfs/dbraw/zinc/50/36/77/599503677.db2.gz AQLRJSRDIGYUMO-SJKOYZFVSA-N -1 3 365.462 3.075 20 0 FGADHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(NCc3ccc(F)cc3F)c2c1 ZINC000822196414 599503721 /nfs/dbraw/zinc/50/37/21/599503721.db2.gz IOMSGODXJAQBJH-UHFFFAOYSA-N -1 3 366.375 3.344 20 0 FGADHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(NCc3ccc(F)cc3F)c2c1 ZINC000822196414 599503724 /nfs/dbraw/zinc/50/37/24/599503724.db2.gz IOMSGODXJAQBJH-UHFFFAOYSA-N -1 3 366.375 3.344 20 0 FGADHM C[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820533591 599504068 /nfs/dbraw/zinc/50/40/68/599504068.db2.gz GMVZSSSPMNFFCJ-VXGBXAGGSA-N -1 3 371.828 3.165 20 0 FGADHM C[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820533591 599504069 /nfs/dbraw/zinc/50/40/69/599504069.db2.gz GMVZSSSPMNFFCJ-VXGBXAGGSA-N -1 3 371.828 3.165 20 0 FGADHM C[C@H](NC(=O)c1ccc(-n2cccc2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820397030 599514454 /nfs/dbraw/zinc/51/44/54/599514454.db2.gz KSCIZDYPBLBADD-AWEZNQCLSA-N -1 3 358.405 3.148 20 0 FGADHM C[C@H](NC(=O)c1ccc(-n2cccc2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820397030 599514455 /nfs/dbraw/zinc/51/44/55/599514455.db2.gz KSCIZDYPBLBADD-AWEZNQCLSA-N -1 3 358.405 3.148 20 0 FGADHM C[C@@H](NC(=O)c1ccc(-n2cccc2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820397031 599514530 /nfs/dbraw/zinc/51/45/30/599514530.db2.gz KSCIZDYPBLBADD-CQSZACIVSA-N -1 3 358.405 3.148 20 0 FGADHM C[C@@H](NC(=O)c1ccc(-n2cccc2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820397031 599514531 /nfs/dbraw/zinc/51/45/31/599514531.db2.gz KSCIZDYPBLBADD-CQSZACIVSA-N -1 3 358.405 3.148 20 0 FGADHM CCSc1ccccc1C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821461183 599514987 /nfs/dbraw/zinc/51/49/87/599514987.db2.gz LLDUUWYWOSZZPK-GFCCVEGCSA-N -1 3 353.451 3.470 20 0 FGADHM CCSc1ccccc1C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821461183 599514988 /nfs/dbraw/zinc/51/49/88/599514988.db2.gz LLDUUWYWOSZZPK-GFCCVEGCSA-N -1 3 353.451 3.470 20 0 FGADHM CC[C@H](Sc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc(OC)cc1 ZINC000736392868 599522449 /nfs/dbraw/zinc/52/24/49/599522449.db2.gz UELRLSSUCHOCKQ-INIZCTEOSA-N -1 3 369.450 3.385 20 0 FGADHM CC[C@H](Sc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc(OC)cc1 ZINC000736392868 599522452 /nfs/dbraw/zinc/52/24/52/599522452.db2.gz UELRLSSUCHOCKQ-INIZCTEOSA-N -1 3 369.450 3.385 20 0 FGADHM Cc1[nH]c2c(cccc2C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1C ZINC000822010136 599522848 /nfs/dbraw/zinc/52/28/48/599522848.db2.gz OXNNNPOAQPWVIX-ZDUSSCGKSA-N -1 3 360.421 3.456 20 0 FGADHM Cc1[nH]c2c(cccc2C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1C ZINC000822010136 599522850 /nfs/dbraw/zinc/52/28/50/599522850.db2.gz OXNNNPOAQPWVIX-ZDUSSCGKSA-N -1 3 360.421 3.456 20 0 FGADHM COc1cccc(OCCCNc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000737142080 599528419 /nfs/dbraw/zinc/52/84/19/599528419.db2.gz QZENUNFIHVWAAG-UHFFFAOYSA-N -1 3 359.817 3.410 20 0 FGADHM COc1cccc(OCCCNc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000737142080 599528420 /nfs/dbraw/zinc/52/84/20/599528420.db2.gz QZENUNFIHVWAAG-UHFFFAOYSA-N -1 3 359.817 3.410 20 0 FGADHM Cc1cc(C)n([C@H]2CCCN(c3c(-c4nnn[n-]4)cnc4ccccc43)C2)n1 ZINC000822197829 599538644 /nfs/dbraw/zinc/53/86/44/599538644.db2.gz QQBXMLVKFOUUTD-HNNXBMFYSA-N -1 3 374.452 3.070 20 0 FGADHM Cc1cc(C)n([C@H]2CCCN(c3c(-c4nn[n-]n4)cnc4ccccc43)C2)n1 ZINC000822197829 599538646 /nfs/dbraw/zinc/53/86/46/599538646.db2.gz QQBXMLVKFOUUTD-HNNXBMFYSA-N -1 3 374.452 3.070 20 0 FGADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)[C@H](C)c1cccs1 ZINC000737024349 599540437 /nfs/dbraw/zinc/54/04/37/599540437.db2.gz GRUIPSHNGSMOQE-MRVPVSSYSA-N -1 3 364.814 3.299 20 0 FGADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)[C@H](C)c1cccs1 ZINC000737024349 599540438 /nfs/dbraw/zinc/54/04/38/599540438.db2.gz GRUIPSHNGSMOQE-MRVPVSSYSA-N -1 3 364.814 3.299 20 0 FGADHM C[C@@H](NC(=O)C1C2CC3CC(C2)CC1C3)c1cccc(-c2nnn[n-]2)c1 ZINC000820323054 599540700 /nfs/dbraw/zinc/54/07/00/599540700.db2.gz WTCVMHFMVUIZDE-OQSJMBJCSA-N -1 3 351.454 3.116 20 0 FGADHM C[C@@H](NC(=O)C1C2CC3CC(C2)CC1C3)c1cccc(-c2nn[n-]n2)c1 ZINC000820323054 599540702 /nfs/dbraw/zinc/54/07/02/599540702.db2.gz WTCVMHFMVUIZDE-OQSJMBJCSA-N -1 3 351.454 3.116 20 0 FGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H](C)c1ccsc1 ZINC000735903945 599544196 /nfs/dbraw/zinc/54/41/96/599544196.db2.gz JFGYPPHDQRJPDA-NSHDSACASA-N -1 3 357.439 3.458 20 0 FGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H](C)c1ccsc1 ZINC000735903945 599544198 /nfs/dbraw/zinc/54/41/98/599544198.db2.gz JFGYPPHDQRJPDA-NSHDSACASA-N -1 3 357.439 3.458 20 0 FGADHM CCc1ccc([C@H](C)CC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000736691887 599546102 /nfs/dbraw/zinc/54/61/02/599546102.db2.gz ZFBIHGKHOYJQDD-CYBMUJFWSA-N -1 3 367.428 3.378 20 0 FGADHM CCc1ccc([C@H](C)CC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000736691887 599546104 /nfs/dbraw/zinc/54/61/04/599546104.db2.gz ZFBIHGKHOYJQDD-CYBMUJFWSA-N -1 3 367.428 3.378 20 0 FGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@H]2CCC[C@@H]21 ZINC000819975985 599552525 /nfs/dbraw/zinc/55/25/25/599552525.db2.gz GXWGWIVKRLYXNM-OCCSQVGLSA-N -1 3 357.462 3.220 20 0 FGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@H]2CCC[C@@H]21 ZINC000819975985 599552526 /nfs/dbraw/zinc/55/25/26/599552526.db2.gz GXWGWIVKRLYXNM-OCCSQVGLSA-N -1 3 357.462 3.220 20 0 FGADHM CCN(CC)c1ccc(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821197112 599552970 /nfs/dbraw/zinc/55/29/70/599552970.db2.gz GFIZRTVBMPEEBW-AWEZNQCLSA-N -1 3 364.453 3.204 20 0 FGADHM CCN(CC)c1ccc(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821197112 599552972 /nfs/dbraw/zinc/55/29/72/599552972.db2.gz GFIZRTVBMPEEBW-AWEZNQCLSA-N -1 3 364.453 3.204 20 0 FGADHM CC[C@@H](C)N(C)C(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736321894 599566972 /nfs/dbraw/zinc/56/69/72/599566972.db2.gz GJNKQRCRFHLISG-CYBMUJFWSA-N -1 3 350.426 3.481 20 0 FGADHM O=C(c1ccc(F)cc1)[C@H]1CCCN(c2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000823488428 599567865 /nfs/dbraw/zinc/56/78/65/599567865.db2.gz MLTXQTQSTLERMI-ZDUSSCGKSA-N -1 3 369.375 3.244 20 0 FGADHM O=C(c1ccc(F)cc1)[C@H]1CCCN(c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000823488428 599567866 /nfs/dbraw/zinc/56/78/66/599567866.db2.gz MLTXQTQSTLERMI-ZDUSSCGKSA-N -1 3 369.375 3.244 20 0 FGADHM C[C@H]1Cc2ccccc2N(Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)C1 ZINC000820814270 599574149 /nfs/dbraw/zinc/57/41/49/599574149.db2.gz UIVRUAZZTQIZPE-ZDUSSCGKSA-N -1 3 373.420 3.116 20 0 FGADHM C[C@H]1Cc2ccccc2N(Cc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)C1 ZINC000820814270 599574151 /nfs/dbraw/zinc/57/41/51/599574151.db2.gz UIVRUAZZTQIZPE-ZDUSSCGKSA-N -1 3 373.420 3.116 20 0 FGADHM COc1ccc(C[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3F)C2)cc1 ZINC000821790218 599591778 /nfs/dbraw/zinc/59/17/78/599591778.db2.gz JVSYAGSRHYMDFX-HNNXBMFYSA-N -1 3 367.428 3.474 20 0 FGADHM Cc1ccc(C[C@H](C)NC(=O)Nc2cc(-c3nnn[n-]3)ccc2C)s1 ZINC000737335803 599610725 /nfs/dbraw/zinc/61/07/25/599610725.db2.gz XCJMEHSPWHGCPH-NSHDSACASA-N -1 3 356.455 3.298 20 0 FGADHM Cc1ccc(C[C@H](C)NC(=O)Nc2cc(-c3nn[n-]n3)ccc2C)s1 ZINC000737335803 599610726 /nfs/dbraw/zinc/61/07/26/599610726.db2.gz XCJMEHSPWHGCPH-NSHDSACASA-N -1 3 356.455 3.298 20 0 FGADHM C[C@@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)[C@@H](C)c1ccsc1 ZINC000736037139 599617750 /nfs/dbraw/zinc/61/77/50/599617750.db2.gz JOVANRSYMMKGHA-RYUDHWBXSA-N -1 3 358.423 3.042 20 0 FGADHM C[C@@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)[C@@H](C)c1ccsc1 ZINC000736037139 599617752 /nfs/dbraw/zinc/61/77/52/599617752.db2.gz JOVANRSYMMKGHA-RYUDHWBXSA-N -1 3 358.423 3.042 20 0 FGADHM CC(C)(C)c1ncc(C=CC(=O)OCc2ccccc2-c2nnn[n-]2)s1 ZINC000819966048 599620543 /nfs/dbraw/zinc/62/05/43/599620543.db2.gz UFARUCTUXCQEIV-HJWRWDBZSA-N -1 3 369.450 3.377 20 0 FGADHM CC(C)(C)c1ncc(C=CC(=O)OCc2ccccc2-c2nn[n-]n2)s1 ZINC000819966048 599620544 /nfs/dbraw/zinc/62/05/44/599620544.db2.gz UFARUCTUXCQEIV-HJWRWDBZSA-N -1 3 369.450 3.377 20 0 FGADHM O=C(OCc1ccccc1-c1nnn[n-]1)[C@@H]1CCSc2ccccc21 ZINC000823429825 599621908 /nfs/dbraw/zinc/62/19/08/599621908.db2.gz DESXLKYWZHSHDX-OAHLLOKOSA-N -1 3 352.419 3.190 20 0 FGADHM O=C(OCc1ccccc1-c1nn[n-]n1)[C@@H]1CCSc2ccccc21 ZINC000823429825 599621909 /nfs/dbraw/zinc/62/19/09/599621909.db2.gz DESXLKYWZHSHDX-OAHLLOKOSA-N -1 3 352.419 3.190 20 0 FGADHM C[C@H](OC(=O)c1cccc(-c2cnn(C)c2)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820512957 599622271 /nfs/dbraw/zinc/62/22/71/599622271.db2.gz QOWYSKORXLSJNM-ZDUSSCGKSA-N -1 3 374.404 3.185 20 0 FGADHM C[C@H](OC(=O)c1cccc(-c2cnn(C)c2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820512957 599622272 /nfs/dbraw/zinc/62/22/72/599622272.db2.gz QOWYSKORXLSJNM-ZDUSSCGKSA-N -1 3 374.404 3.185 20 0 FGADHM CC(C)(C)c1ncc(C=CC(=O)Nc2ccccc2-c2nnn[n-]2)s1 ZINC000819965315 599628592 /nfs/dbraw/zinc/62/85/92/599628592.db2.gz AYAZKFWJYAYCCK-HJWRWDBZSA-N -1 3 354.439 3.273 20 0 FGADHM CC(C)(C)c1ncc(C=CC(=O)Nc2ccccc2-c2nn[n-]n2)s1 ZINC000819965315 599628593 /nfs/dbraw/zinc/62/85/93/599628593.db2.gz AYAZKFWJYAYCCK-HJWRWDBZSA-N -1 3 354.439 3.273 20 0 FGADHM CCOc1c(F)cccc1C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000821389382 599629746 /nfs/dbraw/zinc/62/97/46/599629746.db2.gz LCCQKJVNQGSUFN-UHFFFAOYSA-N -1 3 361.764 3.310 20 0 FGADHM CCOc1c(F)cccc1C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000821389382 599629747 /nfs/dbraw/zinc/62/97/47/599629747.db2.gz LCCQKJVNQGSUFN-UHFFFAOYSA-N -1 3 361.764 3.310 20 0 FGADHM O=C([C@H]1CCCS1)N(Cc1ccccc1)c1ccccc1-c1nnn[n-]1 ZINC000822918082 599630846 /nfs/dbraw/zinc/63/08/46/599630846.db2.gz ZLTCYURKVVCOME-QGZVFWFLSA-N -1 3 365.462 3.296 20 0 FGADHM O=C([C@H]1CCCS1)N(Cc1ccccc1)c1ccccc1-c1nn[n-]n1 ZINC000822918082 599630847 /nfs/dbraw/zinc/63/08/47/599630847.db2.gz ZLTCYURKVVCOME-QGZVFWFLSA-N -1 3 365.462 3.296 20 0 FGADHM COCCN(C(=O)c1cccc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000821689348 599632052 /nfs/dbraw/zinc/63/20/52/599632052.db2.gz XARHABOIKINMCP-UHFFFAOYSA-N -1 3 373.416 3.313 20 0 FGADHM COCCN(C(=O)c1cccc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000821689348 599632053 /nfs/dbraw/zinc/63/20/53/599632053.db2.gz XARHABOIKINMCP-UHFFFAOYSA-N -1 3 373.416 3.313 20 0 FGADHM C[C@H]1CCN(Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)c2ccccc21 ZINC000820727659 599635969 /nfs/dbraw/zinc/63/59/69/599635969.db2.gz NLXLDNQKHDMARR-ZDUSSCGKSA-N -1 3 373.420 3.431 20 0 FGADHM C[C@H]1CCN(Cc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)c2ccccc21 ZINC000820727659 599635970 /nfs/dbraw/zinc/63/59/70/599635970.db2.gz NLXLDNQKHDMARR-ZDUSSCGKSA-N -1 3 373.420 3.431 20 0 FGADHM C[C@@H](NC(=O)N[C@H](c1cccs1)C1CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820360003 599667134 /nfs/dbraw/zinc/66/71/34/599667134.db2.gz WPDXOZJUNMNCCD-BZNIZROVSA-N -1 3 368.466 3.440 20 0 FGADHM C[C@@H](NC(=O)N[C@H](c1cccs1)C1CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820360003 599667135 /nfs/dbraw/zinc/66/71/35/599667135.db2.gz WPDXOZJUNMNCCD-BZNIZROVSA-N -1 3 368.466 3.440 20 0 FGADHM C[C@H]1CCN(C(=O)NCc2cccc(-c3nnn[n-]3)c2)[C@H](c2ccco2)C1 ZINC000820717293 599668143 /nfs/dbraw/zinc/66/81/43/599668143.db2.gz PAXIRGPPQMDHSW-BBRMVZONSA-N -1 3 366.425 3.143 20 0 FGADHM C[C@H]1CCN(C(=O)NCc2cccc(-c3nn[n-]n3)c2)[C@H](c2ccco2)C1 ZINC000820717293 599668144 /nfs/dbraw/zinc/66/81/44/599668144.db2.gz PAXIRGPPQMDHSW-BBRMVZONSA-N -1 3 366.425 3.143 20 0 FGADHM CCCCC[C@@H](C)CC(=O)O[C@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000821051087 599668241 /nfs/dbraw/zinc/66/82/41/599668241.db2.gz XVFTUYLOILEKGH-ZIAGYGMSSA-N -1 3 373.457 3.343 20 0 FGADHM CCCCC[C@@H](C)CC(=O)O[C@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000821051087 599668242 /nfs/dbraw/zinc/66/82/42/599668242.db2.gz XVFTUYLOILEKGH-ZIAGYGMSSA-N -1 3 373.457 3.343 20 0 FGADHM CC(C)(C)OC(=O)NC(C)(C)CNc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000819984422 599686226 /nfs/dbraw/zinc/68/62/26/599686226.db2.gz VRUDWDWOJPHKMS-UHFFFAOYSA-N -1 3 366.853 3.235 20 0 FGADHM CC(C)(C)OC(=O)NC(C)(C)CNc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000819984422 599686227 /nfs/dbraw/zinc/68/62/27/599686227.db2.gz VRUDWDWOJPHKMS-UHFFFAOYSA-N -1 3 366.853 3.235 20 0 FGADHM Cc1ccc(-c2nc(CNc3ncc(-c4nnn[n-]4)cc3Cl)co2)cc1 ZINC000822214028 599688548 /nfs/dbraw/zinc/68/85/48/599688548.db2.gz MEWYKHPCUKOJSG-UHFFFAOYSA-N -1 3 367.800 3.491 20 0 FGADHM Cc1ccc(-c2nc(CNc3ncc(-c4nn[n-]n4)cc3Cl)co2)cc1 ZINC000822214028 599688549 /nfs/dbraw/zinc/68/85/49/599688549.db2.gz MEWYKHPCUKOJSG-UHFFFAOYSA-N -1 3 367.800 3.491 20 0 FGADHM CN(Cc1cc(F)c(F)c(F)c1)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000821607463 607387293 /nfs/dbraw/zinc/38/72/93/607387293.db2.gz PPJFRFRMHRLXHM-UHFFFAOYSA-N -1 3 351.307 3.055 20 0 FGADHM CN(Cc1cc(F)c(F)c(F)c1)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000821607463 607387295 /nfs/dbraw/zinc/38/72/95/607387295.db2.gz PPJFRFRMHRLXHM-UHFFFAOYSA-N -1 3 351.307 3.055 20 0 FGADHM O=C([O-])Nc1cc(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)ccc1F ZINC000740004418 599717347 /nfs/dbraw/zinc/71/73/47/599717347.db2.gz AXRGSEUAGLEXEP-OAHLLOKOSA-N -1 3 372.400 3.312 20 0 FGADHM Cc1cc(C)c(C(=O)COC(=O)c2ccc(-c3nnn[n-]3)cc2C)c(C)c1 ZINC000826262896 607390066 /nfs/dbraw/zinc/39/00/66/607390066.db2.gz CHWGCGCGPZFAOJ-UHFFFAOYSA-N -1 3 364.405 3.140 20 0 FGADHM Cc1cc(C)c(C(=O)COC(=O)c2ccc(-c3nn[n-]n3)cc2C)c(C)c1 ZINC000826262896 607390069 /nfs/dbraw/zinc/39/00/69/607390069.db2.gz CHWGCGCGPZFAOJ-UHFFFAOYSA-N -1 3 364.405 3.140 20 0 FGADHM CC(C)c1ccc(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)cn1 ZINC000820187775 607392017 /nfs/dbraw/zinc/39/20/17/607392017.db2.gz QNQNSVDNXFRIAC-UHFFFAOYSA-N -1 3 362.437 3.190 20 0 FGADHM CC(C)c1ccc(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)cn1 ZINC000820187775 607392020 /nfs/dbraw/zinc/39/20/20/607392020.db2.gz QNQNSVDNXFRIAC-UHFFFAOYSA-N -1 3 362.437 3.190 20 0 FGADHM CCOc1cccc(NC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)c1 ZINC000825649477 607392483 /nfs/dbraw/zinc/39/24/83/607392483.db2.gz QJWGVIHOTGXOLN-UHFFFAOYSA-N -1 3 364.409 3.076 20 0 FGADHM CCOc1cccc(NC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)c1 ZINC000825649477 607392485 /nfs/dbraw/zinc/39/24/85/607392485.db2.gz QJWGVIHOTGXOLN-UHFFFAOYSA-N -1 3 364.409 3.076 20 0 FGADHM COC(=O)c1ccc(CN[C@@H](C(=O)[O-])c2ccccc2C(F)(F)F)cc1 ZINC000737691483 599791641 /nfs/dbraw/zinc/79/16/41/599791641.db2.gz PAHFTXQRVNNHKK-OAHLLOKOSA-N -1 3 367.323 3.408 20 0 FGADHM O=C(Nc1cc(F)c(F)c(F)c1)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826451477 607395543 /nfs/dbraw/zinc/39/55/43/607395543.db2.gz INFAXXVNPFCSLE-UHFFFAOYSA-N -1 3 374.326 3.095 20 0 FGADHM O=C(Nc1cc(F)c(F)c(F)c1)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826451477 607395546 /nfs/dbraw/zinc/39/55/46/607395546.db2.gz INFAXXVNPFCSLE-UHFFFAOYSA-N -1 3 374.326 3.095 20 0 FGADHM CC(C)Oc1ccc(NC(=O)c2cccc3cccnc32)cc1-c1nnn[n-]1 ZINC000820173360 607398986 /nfs/dbraw/zinc/39/89/86/607398986.db2.gz BLYDSCMQWCOHSE-UHFFFAOYSA-N -1 3 374.404 3.454 20 0 FGADHM CC(C)Oc1ccc(NC(=O)c2cccc3cccnc32)cc1-c1nn[n-]n1 ZINC000820173360 607398988 /nfs/dbraw/zinc/39/89/88/607398988.db2.gz BLYDSCMQWCOHSE-UHFFFAOYSA-N -1 3 374.404 3.454 20 0 FGADHM Cc1cnn(-c2ccc(C(=O)OCc3ccc(-c4nnn[n-]4)cc3C)cc2)c1 ZINC000826319481 607405709 /nfs/dbraw/zinc/40/57/09/607405709.db2.gz FLMBGPRFPABIBG-UHFFFAOYSA-N -1 3 374.404 3.026 20 0 FGADHM Cc1cnn(-c2ccc(C(=O)OCc3ccc(-c4nn[n-]n4)cc3C)cc2)c1 ZINC000826319481 607405711 /nfs/dbraw/zinc/40/57/11/607405711.db2.gz FLMBGPRFPABIBG-UHFFFAOYSA-N -1 3 374.404 3.026 20 0 FGADHM Cc1cc(F)cc(C(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)c1 ZINC000822203149 607401465 /nfs/dbraw/zinc/40/14/65/607401465.db2.gz GUTZGQZQDNNXFH-UHFFFAOYSA-N -1 3 355.373 3.354 20 0 FGADHM Cc1cc(F)cc(C(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)c1 ZINC000822203149 607401466 /nfs/dbraw/zinc/40/14/66/607401466.db2.gz GUTZGQZQDNNXFH-UHFFFAOYSA-N -1 3 355.373 3.354 20 0 FGADHM CCC(CC)n1nccc1C(=O)OCc1ccc(-c2nnn[n-]2)cc1C ZINC000825114153 607402526 /nfs/dbraw/zinc/40/25/26/607402526.db2.gz KFQCTWVXJMUJSJ-UHFFFAOYSA-N -1 3 354.414 3.090 20 0 FGADHM CCC(CC)n1nccc1C(=O)OCc1ccc(-c2nn[n-]n2)cc1C ZINC000825114153 607402527 /nfs/dbraw/zinc/40/25/27/607402527.db2.gz KFQCTWVXJMUJSJ-UHFFFAOYSA-N -1 3 354.414 3.090 20 0 FGADHM CC[C@H](OC1CCCCC1)C(=O)OCc1ccc(-c2nnn[n-]2)cc1C ZINC000825153601 607403647 /nfs/dbraw/zinc/40/36/47/607403647.db2.gz ISRYCYHNFPWQDT-KRWDZBQOSA-N -1 3 358.442 3.346 20 0 FGADHM CC[C@H](OC1CCCCC1)C(=O)OCc1ccc(-c2nn[n-]n2)cc1C ZINC000825153601 607403648 /nfs/dbraw/zinc/40/36/48/607403648.db2.gz ISRYCYHNFPWQDT-KRWDZBQOSA-N -1 3 358.442 3.346 20 0 FGADHM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)CN1CCC2(CCCCC2)CC1 ZINC000739624785 599889350 /nfs/dbraw/zinc/88/93/50/599889350.db2.gz LQJDRVOOEGVJJX-LJQANCHMSA-N -1 3 370.493 3.071 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)[C@H]1C[C@H]1c1cccc(F)c1F ZINC000826253391 607406184 /nfs/dbraw/zinc/40/61/84/607406184.db2.gz OBYUXYWMFFAACE-GJZGRUSLSA-N -1 3 370.359 3.300 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)[C@H]1C[C@H]1c1cccc(F)c1F ZINC000826253391 607406186 /nfs/dbraw/zinc/40/61/86/607406186.db2.gz OBYUXYWMFFAACE-GJZGRUSLSA-N -1 3 370.359 3.300 20 0 FGADHM C[C@@H](c1ccc(C(=O)[O-])o1)N(C)C[C@H](c1cccs1)N1CCOCC1 ZINC000736713337 599966676 /nfs/dbraw/zinc/96/66/76/599966676.db2.gz BBNNFYICCUNMDD-UONOGXRCSA-N -1 3 364.467 3.106 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)C(F)(F)c1ccc(F)cc1 ZINC000826252641 607413009 /nfs/dbraw/zinc/41/30/09/607413009.db2.gz MDQGWYJLSRXLSM-UHFFFAOYSA-N -1 3 362.311 3.149 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)C(F)(F)c1ccc(F)cc1 ZINC000826252641 607413011 /nfs/dbraw/zinc/41/30/11/607413011.db2.gz MDQGWYJLSRXLSM-UHFFFAOYSA-N -1 3 362.311 3.149 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)c1ccccc1OC(C)C ZINC000821749217 607417545 /nfs/dbraw/zinc/41/75/45/607417545.db2.gz AEDQJPAYPVRXBB-UHFFFAOYSA-N -1 3 368.393 3.020 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)c1ccccc1OC(C)C ZINC000821749217 607417546 /nfs/dbraw/zinc/41/75/46/607417546.db2.gz AEDQJPAYPVRXBB-UHFFFAOYSA-N -1 3 368.393 3.020 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)[C@@H](SC)c1ccccc1 ZINC000821737304 607417563 /nfs/dbraw/zinc/41/75/63/607417563.db2.gz UQTMTVMBMGSROF-INIZCTEOSA-N -1 3 370.434 3.023 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)[C@@H](SC)c1ccccc1 ZINC000821737304 607417565 /nfs/dbraw/zinc/41/75/65/607417565.db2.gz UQTMTVMBMGSROF-INIZCTEOSA-N -1 3 370.434 3.023 20 0 FGADHM O=C([O-])c1ccc2c(c1)CN(C(=O)c1cccc(CN3CCCC3)c1)C2 ZINC000740200594 600073622 /nfs/dbraw/zinc/07/36/22/600073622.db2.gz DEALMLHSMKCADO-UHFFFAOYSA-N -1 3 350.418 3.137 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)C[C@H]1CCc2ccccc21 ZINC000821741021 607418667 /nfs/dbraw/zinc/41/86/67/607418667.db2.gz GBJQHXWPVKEXBV-CQSZACIVSA-N -1 3 364.405 3.039 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)C[C@H]1CCc2ccccc21 ZINC000821741021 607418669 /nfs/dbraw/zinc/41/86/69/607418669.db2.gz GBJQHXWPVKEXBV-CQSZACIVSA-N -1 3 364.405 3.039 20 0 FGADHM Cc1cc(C(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)ccc1Cl ZINC000826258138 607420479 /nfs/dbraw/zinc/42/04/79/607420479.db2.gz BDXDBQLBUGWKBP-UHFFFAOYSA-N -1 3 353.813 3.248 20 0 FGADHM Cc1cc(C(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)ccc1Cl ZINC000826258138 607420481 /nfs/dbraw/zinc/42/04/81/607420481.db2.gz BDXDBQLBUGWKBP-UHFFFAOYSA-N -1 3 353.813 3.248 20 0 FGADHM CCn1cc(C(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)c2ccccc21 ZINC000825799513 607422157 /nfs/dbraw/zinc/42/21/57/607422157.db2.gz NFPOLBHFMLOYQO-UHFFFAOYSA-N -1 3 372.432 3.260 20 0 FGADHM CCn1cc(C(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)c2ccccc21 ZINC000825799513 607422158 /nfs/dbraw/zinc/42/21/58/607422158.db2.gz NFPOLBHFMLOYQO-UHFFFAOYSA-N -1 3 372.432 3.260 20 0 FGADHM CN(CC(=O)Nc1c(Cl)cc(Cl)cc1Cl)C(C)(C)C(=O)[O-] ZINC000061172494 600135305 /nfs/dbraw/zinc/13/53/05/600135305.db2.gz FEUVHQHGJNGMFD-UHFFFAOYSA-N -1 3 353.633 3.380 20 0 FGADHM O=C(NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1ccc2ccccc2c1 ZINC000826427857 607426555 /nfs/dbraw/zinc/42/65/55/607426555.db2.gz DNLQFVKBCUGHPW-UHFFFAOYSA-N -1 3 355.401 3.439 20 0 FGADHM O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1ccc2ccccc2c1 ZINC000826427857 607426556 /nfs/dbraw/zinc/42/65/56/607426556.db2.gz DNLQFVKBCUGHPW-UHFFFAOYSA-N -1 3 355.401 3.439 20 0 FGADHM C[C@@H]1C[C@@H](c2ccccc2)CN1CC(=O)N(C)c1ccccc1C(=O)[O-] ZINC000736761636 600179002 /nfs/dbraw/zinc/17/90/02/600179002.db2.gz OPZFMJWOGCVOGW-NVXWUHKLSA-N -1 3 352.434 3.226 20 0 FGADHM Cc1[nH]c2ccccc2c1CC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826233369 607426933 /nfs/dbraw/zinc/42/69/33/607426933.db2.gz DZIUCBNBVZLFQE-UHFFFAOYSA-N -1 3 372.432 3.004 20 0 FGADHM Cc1[nH]c2ccccc2c1CC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826233369 607426934 /nfs/dbraw/zinc/42/69/34/607426934.db2.gz DZIUCBNBVZLFQE-UHFFFAOYSA-N -1 3 372.432 3.004 20 0 FGADHM CC(C)N(CCC(=O)[O-])CC(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000736465467 600223288 /nfs/dbraw/zinc/22/32/88/600223288.db2.gz HDHTYTLKHCDSNM-UHFFFAOYSA-N -1 3 361.269 3.137 20 0 FGADHM Cc1cc(CN[C@H]2CCCc3nc(C)ncc32)cc(C)c1OCC(=O)[O-] ZINC000738887873 600227224 /nfs/dbraw/zinc/22/72/24/600227224.db2.gz FABYYWRZVYAEDD-KRWDZBQOSA-N -1 3 355.438 3.032 20 0 FGADHM CN(C(=O)CCc1ccc(OC(F)F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825817105 607431402 /nfs/dbraw/zinc/43/14/02/607431402.db2.gz ATYYKXIYKGLOOR-UHFFFAOYSA-N -1 3 373.363 3.064 20 0 FGADHM CN(C(=O)CCc1ccc(OC(F)F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825817105 607431405 /nfs/dbraw/zinc/43/14/05/607431405.db2.gz ATYYKXIYKGLOOR-UHFFFAOYSA-N -1 3 373.363 3.064 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCCc2cccc(Cl)c21 ZINC000826245049 607431895 /nfs/dbraw/zinc/43/18/95/607431895.db2.gz MJHFHXMUEPLYEI-UHFFFAOYSA-N -1 3 353.813 3.422 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCCc2cccc(Cl)c21 ZINC000826245049 607431896 /nfs/dbraw/zinc/43/18/96/607431896.db2.gz MJHFHXMUEPLYEI-UHFFFAOYSA-N -1 3 353.813 3.422 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(C(C)C)nc1 ZINC000821122879 607434952 /nfs/dbraw/zinc/43/49/52/607434952.db2.gz AKHYXNKQVYZWQC-UHFFFAOYSA-N -1 3 365.441 3.459 20 0 FGADHM CCc1ccc([C@H](C)NC(=O)[C@@H](C)N2CCC3(C[C@@H]3C(=O)[O-])CC2)cc1 ZINC000737257909 600292823 /nfs/dbraw/zinc/29/28/23/600292823.db2.gz SJXRTHGXOHNGFC-HDMKZQKVSA-N -1 3 358.482 3.001 20 0 FGADHM CC[C@@H](Oc1ccccc1Cl)C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825159665 607433291 /nfs/dbraw/zinc/43/32/91/607433291.db2.gz RLABITSQNIWFNW-OAHLLOKOSA-N -1 3 371.828 3.341 20 0 FGADHM CC[C@@H](Oc1ccccc1Cl)C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825159665 607433293 /nfs/dbraw/zinc/43/32/93/607433293.db2.gz RLABITSQNIWFNW-OAHLLOKOSA-N -1 3 371.828 3.341 20 0 FGADHM CN(C(=O)c1ccc(Oc2ccccc2)nc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825830502 607440103 /nfs/dbraw/zinc/44/01/03/607440103.db2.gz SSTNEFRBPAMSCM-UHFFFAOYSA-N -1 3 372.388 3.331 20 0 FGADHM CN(C(=O)c1ccc(Oc2ccccc2)nc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825830502 607440104 /nfs/dbraw/zinc/44/01/04/607440104.db2.gz SSTNEFRBPAMSCM-UHFFFAOYSA-N -1 3 372.388 3.331 20 0 FGADHM CN(C(=O)CCCOc1ccccc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000825817158 607440532 /nfs/dbraw/zinc/44/05/32/607440532.db2.gz DDYOTUDPNUHFEX-UHFFFAOYSA-N -1 3 371.828 3.342 20 0 FGADHM CN(C(=O)CCCOc1ccccc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000825817158 607440533 /nfs/dbraw/zinc/44/05/33/607440533.db2.gz DDYOTUDPNUHFEX-UHFFFAOYSA-N -1 3 371.828 3.342 20 0 FGADHM C[C@H](CNC(=O)Nc1ccc(N(C)C(=O)[O-])cc1)N(C)Cc1ccccc1 ZINC000736599579 600392143 /nfs/dbraw/zinc/39/21/43/600392143.db2.gz WWJLLKXZKRLTDM-OAHLLOKOSA-N -1 3 370.453 3.443 20 0 FGADHM C[C@@H](C(=O)N(CC(=O)[O-])Cc1ccc(Cl)cc1)N1CCCCCC1 ZINC000736199635 600406088 /nfs/dbraw/zinc/40/60/88/600406088.db2.gz KRTMIVNTOFUUFT-AWEZNQCLSA-N -1 3 352.862 3.018 20 0 FGADHM CN(C(=O)c1cc2c(cccc2F)s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825825829 607442243 /nfs/dbraw/zinc/44/22/43/607442243.db2.gz KOKSYHHJGVYDER-UHFFFAOYSA-N -1 3 353.382 3.497 20 0 FGADHM CN(C(=O)c1cc2c(cccc2F)s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825825829 607442247 /nfs/dbraw/zinc/44/22/47/607442247.db2.gz KOKSYHHJGVYDER-UHFFFAOYSA-N -1 3 353.382 3.497 20 0 FGADHM COc1ccccc1[C@@H]1CCN(Cn2ncc3cc(C(=O)[O-])ccc32)C1 ZINC000738126464 600427565 /nfs/dbraw/zinc/42/75/65/600427565.db2.gz FRMVIOPKJMXCHJ-OAHLLOKOSA-N -1 3 351.406 3.190 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)Cc1ccccc1OC(F)F ZINC000826254060 607445797 /nfs/dbraw/zinc/44/57/97/607445797.db2.gz RZRAUHQNKCDLQW-UHFFFAOYSA-N -1 3 374.347 3.062 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)Cc1ccccc1OC(F)F ZINC000826254060 607445799 /nfs/dbraw/zinc/44/57/99/607445799.db2.gz RZRAUHQNKCDLQW-UHFFFAOYSA-N -1 3 374.347 3.062 20 0 FGADHM O=C([O-])c1ccc(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1Cl ZINC000389364565 600508096 /nfs/dbraw/zinc/50/80/96/600508096.db2.gz CUQSDYCQUJOHGA-OAHLLOKOSA-N -1 3 373.840 3.434 20 0 FGADHM Cc1c(NC(=O)NC[C@@H]2CCCN2Cc2ccccc2)cccc1C(=O)[O-] ZINC000390581326 600540084 /nfs/dbraw/zinc/54/00/84/600540084.db2.gz PKNSGHWCCPJKQL-KRWDZBQOSA-N -1 3 367.449 3.479 20 0 FGADHM CC(C)[C@H]1CCC[C@H](NC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)C1 ZINC000824216234 607455008 /nfs/dbraw/zinc/45/50/08/607455008.db2.gz PHPLYPAZLKRPCZ-YOEHRIQHSA-N -1 3 368.485 3.370 20 0 FGADHM CC(C)[C@H]1CCC[C@H](NC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)C1 ZINC000824216234 607455009 /nfs/dbraw/zinc/45/50/09/607455009.db2.gz PHPLYPAZLKRPCZ-YOEHRIQHSA-N -1 3 368.485 3.370 20 0 FGADHM O=C([O-])N1CCC[C@H](NCc2cc(Cl)ccc2OC[C@@H]2CCCO2)C1 ZINC000833279155 600762644 /nfs/dbraw/zinc/76/26/44/600762644.db2.gz IIWZGSCERZCQNQ-HOTGVXAUSA-N -1 3 368.861 3.130 20 0 FGADHM Cc1ccc([C@@H]2CCC[C@@H]2N(C)CC(=O)N[C@H](CC(C)C)C(=O)[O-])cc1 ZINC000832928078 600839386 /nfs/dbraw/zinc/83/93/86/600839386.db2.gz ACYYWQUQNHUDOX-OTWHNJEPSA-N -1 3 360.498 3.178 20 0 FGADHM O=C(Nc1cc(Cl)[nH]n1)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000826451494 607471843 /nfs/dbraw/zinc/47/18/43/607471843.db2.gz JBPGAMWKSAGANK-UHFFFAOYSA-N -1 3 365.784 3.163 20 0 FGADHM C[C@@H]1CC[C@H](C)N1CC(=O)NC[C@@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC000828213822 600950007 /nfs/dbraw/zinc/95/00/07/600950007.db2.gz DTBSPCPADCJYTB-JTDSTZFVSA-N -1 3 368.477 3.072 20 0 FGADHM CC(C)COC[C@H](NCc1ccc(-c2nnn[n-]2)cc1F)c1ccco1 ZINC000820102960 607478124 /nfs/dbraw/zinc/47/81/24/607478124.db2.gz MWUUUWJPCRTVEB-INIZCTEOSA-N -1 3 359.405 3.102 20 0 FGADHM CC(C)COC[C@H](NCc1ccc(-c2nn[n-]n2)cc1F)c1ccco1 ZINC000820102960 607478126 /nfs/dbraw/zinc/47/81/26/607478126.db2.gz MWUUUWJPCRTVEB-INIZCTEOSA-N -1 3 359.405 3.102 20 0 FGADHM CCCC[C@H](C(=O)[O-])N1CCN([C@H](C)c2nc(-c3ccccc3)no2)CC1 ZINC000829275167 600987253 /nfs/dbraw/zinc/98/72/53/600987253.db2.gz BEVRSLHPDKZADP-NVXWUHKLSA-N -1 3 372.469 3.059 20 0 FGADHM O=C([O-])NCCCC(=O)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC000739962584 601096572 /nfs/dbraw/zinc/09/65/72/601096572.db2.gz DGYFHOVDUFDESQ-UHFFFAOYSA-N -1 3 373.497 3.082 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cnc(C(C)C)s1 ZINC000821104678 607499007 /nfs/dbraw/zinc/49/90/07/607499007.db2.gz MOSPPJXXUGVSQM-UHFFFAOYSA-N -1 3 370.482 3.499 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cnc(C(C)C)s1 ZINC000821104678 607499009 /nfs/dbraw/zinc/49/90/09/607499009.db2.gz MOSPPJXXUGVSQM-UHFFFAOYSA-N -1 3 370.482 3.499 20 0 FGADHM C[C@H]1CN(Cc2ncc(-c3ccccc3Br)o2)C[C@H]1C(=O)[O-] ZINC000828462170 601505274 /nfs/dbraw/zinc/50/52/74/601505274.db2.gz HQVGVDSTZNTKAF-CMPLNLGQSA-N -1 3 365.227 3.257 20 0 FGADHM CN(C)C(=O)Sc1ccc(CN2Cc3ccccc3C[C@@H]2C(=O)[O-])cc1 ZINC000830564096 601527906 /nfs/dbraw/zinc/52/79/06/601527906.db2.gz WENQDRKYSUIGMF-GOSISDBHSA-N -1 3 370.474 3.472 20 0 FGADHM C[C@H](c1nc2ccccc2s1)N(C)Cc1ccnc(-c2nnn[n-]2)c1 ZINC000824778475 607516560 /nfs/dbraw/zinc/51/65/60/607516560.db2.gz PRVVDZGIDYIAET-LLVKDONJSA-N -1 3 351.439 3.064 20 0 FGADHM C[C@H](c1nc2ccccc2s1)N(C)Cc1ccnc(-c2nn[n-]n2)c1 ZINC000824778475 607516561 /nfs/dbraw/zinc/51/65/61/607516561.db2.gz PRVVDZGIDYIAET-LLVKDONJSA-N -1 3 351.439 3.064 20 0 FGADHM O=C([O-])c1ccc(CN2CCC[C@H](c3nnc4n3CCCCC4)C2)cc1F ZINC000833313282 601617403 /nfs/dbraw/zinc/61/74/03/601617403.db2.gz RMALROCRWASDRV-HNNXBMFYSA-N -1 3 372.444 3.221 20 0 FGADHM COc1ccc(CN[C@H](c2ccccc2)C(F)(F)F)cc1-c1nnn[n-]1 ZINC000826201807 607519891 /nfs/dbraw/zinc/51/98/91/607519891.db2.gz DZTYOFNRTDWGJV-OAHLLOKOSA-N -1 3 363.343 3.269 20 0 FGADHM COc1ccc(CN[C@H](c2ccccc2)C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826201807 607519892 /nfs/dbraw/zinc/51/98/92/607519892.db2.gz DZTYOFNRTDWGJV-OAHLLOKOSA-N -1 3 363.343 3.269 20 0 FGADHM C[C@H](C(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1)c1cccs1 ZINC000825994705 601732242 /nfs/dbraw/zinc/73/22/42/601732242.db2.gz JACNJYJXCBRNLS-YWZLYKJASA-N -1 3 372.490 3.087 20 0 FGADHM Cc1ccc(C(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)c(C)c1 ZINC000832911629 601740605 /nfs/dbraw/zinc/74/06/05/601740605.db2.gz QLVZUGQQZDKSDF-QFIPXVFZSA-N -1 3 366.461 3.153 20 0 FGADHM CC(C)CN1Cc2cccc(NC(=O)c3sccc3-c3nnn[n-]3)c2C1 ZINC000824266615 607526122 /nfs/dbraw/zinc/52/61/22/607526122.db2.gz OBMOOOONEFAZEB-UHFFFAOYSA-N -1 3 368.466 3.152 20 0 FGADHM C[C@H](CN1CCOCC1)N(Cc1ccsc1C(=O)[O-])Cc1ccccc1 ZINC000827461086 601821302 /nfs/dbraw/zinc/82/13/02/601821302.db2.gz LZFFXSPCLWLFLG-MRXNPFEDSA-N -1 3 374.506 3.169 20 0 FGADHM CN(C[C@H]1CCCN1Cc1ccsc1C(=O)[O-])C(=O)OC(C)(C)C ZINC000830717981 601837099 /nfs/dbraw/zinc/83/70/99/601837099.db2.gz JBYDYJCOIFRBOL-CYBMUJFWSA-N -1 3 354.472 3.278 20 0 FGADHM O=C([O-])CCC1CCN([C@@H](C(=O)N2CCCCC2)c2ccccc2)CC1 ZINC000662218677 601842290 /nfs/dbraw/zinc/84/22/90/601842290.db2.gz RGJHECCXQYTWPG-HXUWFJFHSA-N -1 3 358.482 3.317 20 0 FGADHM C[C@@]1(C(=O)[O-])CCN(Cc2ncc(-c3cccc(Br)c3)o2)C1 ZINC000263182412 601916177 /nfs/dbraw/zinc/91/61/77/601916177.db2.gz RNFMDXLZUGKFME-MRXNPFEDSA-N -1 3 365.227 3.401 20 0 FGADHM C[C@H](CN(CC(=O)N(C)[C@H](C)c1ccc(Cl)cc1)C1CC1)C(=O)[O-] ZINC000827450341 601918054 /nfs/dbraw/zinc/91/80/54/601918054.db2.gz VVUBZCJJAYQZIL-CHWSQXEVSA-N -1 3 352.862 3.045 20 0 FGADHM C[C@@]1(C(=O)[O-])CCN(Cc2ncc(-c3ccccc3Br)o2)C1 ZINC000652486479 601925805 /nfs/dbraw/zinc/92/58/05/601925805.db2.gz HITZYQFWKBWSJL-MRXNPFEDSA-N -1 3 365.227 3.401 20 0 FGADHM COc1ccc(CSCc2c(C)nn(C)c2Cl)cc1-c1nnn[n-]1 ZINC000826207767 607534514 /nfs/dbraw/zinc/53/45/14/607534514.db2.gz CITGLXQIGKMXKU-UHFFFAOYSA-N -1 3 364.862 3.004 20 0 FGADHM COc1ccc(CSCc2c(C)nn(C)c2Cl)cc1-c1nn[n-]n1 ZINC000826207767 607534517 /nfs/dbraw/zinc/53/45/17/607534517.db2.gz CITGLXQIGKMXKU-UHFFFAOYSA-N -1 3 364.862 3.004 20 0 FGADHM C[C@H]1C[C@@H](NC(=O)Nc2ccc(C(=O)[O-])cc2F)CN1Cc1ccccc1 ZINC000398179220 602038332 /nfs/dbraw/zinc/03/83/32/602038332.db2.gz JUWVXFBQLHYEOW-XJKSGUPXSA-N -1 3 371.412 3.308 20 0 FGADHM O=C([O-])[C@H]1CCCCCC[C@@H]1NC(=O)c1cccc(CN2CCCC2)c1 ZINC000833132148 602056986 /nfs/dbraw/zinc/05/69/86/602056986.db2.gz VCFUDXKZOOXZRL-OALUTQOASA-N -1 3 358.482 3.436 20 0 FGADHM COc1ccc(COc2ccc(F)c3c2C(=O)C[C@H]3C)cc1-c1nnn[n-]1 ZINC000826207305 607542473 /nfs/dbraw/zinc/54/24/73/607542473.db2.gz IZDKJIWUMLUBKH-SNVBAGLBSA-N -1 3 368.368 3.283 20 0 FGADHM COc1ccc(COc2ccc(F)c3c2C(=O)C[C@H]3C)cc1-c1nn[n-]n1 ZINC000826207305 607542475 /nfs/dbraw/zinc/54/24/75/607542475.db2.gz IZDKJIWUMLUBKH-SNVBAGLBSA-N -1 3 368.368 3.283 20 0 FGADHM O=C(CC1CCN(C(=O)[O-])CC1)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000740348374 602100432 /nfs/dbraw/zinc/10/04/32/602100432.db2.gz YMIZWSMXXOVOPC-IBGZPJMESA-N -1 3 373.497 3.110 20 0 FGADHM CCCOC(=O)c1ccc(NCc2ccc(OC)c(-c3nnn[n-]3)c2)cc1 ZINC000825338930 607546799 /nfs/dbraw/zinc/54/67/99/607546799.db2.gz KLTHNVMLXLBKRH-UHFFFAOYSA-N -1 3 367.409 3.054 20 0 FGADHM CCCOC(=O)c1ccc(NCc2ccc(OC)c(-c3nn[n-]n3)c2)cc1 ZINC000825338930 607546800 /nfs/dbraw/zinc/54/68/00/607546800.db2.gz KLTHNVMLXLBKRH-UHFFFAOYSA-N -1 3 367.409 3.054 20 0 FGADHM COCc1cccc(CNc2cc(-c3nnn[n-]3)ccc2OC(C)C)c1 ZINC000826164727 607549220 /nfs/dbraw/zinc/54/92/20/607549220.db2.gz NFMVAJAVUOWUBJ-UHFFFAOYSA-N -1 3 353.426 3.412 20 0 FGADHM COCc1cccc(CNc2cc(-c3nn[n-]n3)ccc2OC(C)C)c1 ZINC000826164727 607549221 /nfs/dbraw/zinc/54/92/21/607549221.db2.gz NFMVAJAVUOWUBJ-UHFFFAOYSA-N -1 3 353.426 3.412 20 0 FGADHM C[C@@]1(C(=O)[O-])CCN(Cn2ccc(-c3ccc(Br)cc3)n2)C1 ZINC000828029309 602198367 /nfs/dbraw/zinc/19/83/67/602198367.db2.gz YJBZMLJBEQKVFQ-MRXNPFEDSA-N -1 3 364.243 3.067 20 0 FGADHM CN(C)Cc1cccc(NC(=O)c2cccn2C2CCN(C(=O)[O-])CC2)c1 ZINC000739615469 602230653 /nfs/dbraw/zinc/23/06/53/602230653.db2.gz WDZCRUNDNNLKGQ-UHFFFAOYSA-N -1 3 370.453 3.117 20 0 FGADHM C[C@@H](NC(=O)[O-])[C@H]1CCCCN1Cc1ccc(OCc2nccn2C)cc1 ZINC000739004998 602259983 /nfs/dbraw/zinc/25/99/83/602259983.db2.gz VENMFQFJYVVPHW-CRAIPNDOSA-N -1 3 372.469 3.010 20 0 FGADHM C[C@H](NC(=O)[O-])[C@@H]1CCCCN1C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000738999555 602261458 /nfs/dbraw/zinc/26/14/58/602261458.db2.gz FLQWWALDPAVSRV-CQDKDKBSSA-N -1 3 360.376 3.249 20 0 FGADHM CC(C)CONC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000824270375 607559135 /nfs/dbraw/zinc/55/91/35/607559135.db2.gz DINCODISQCGZDY-UHFFFAOYSA-N -1 3 368.397 3.368 20 0 FGADHM CC(C)CONC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000824270375 607559136 /nfs/dbraw/zinc/55/91/36/607559136.db2.gz DINCODISQCGZDY-UHFFFAOYSA-N -1 3 368.397 3.368 20 0 FGADHM Cc1c(C(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)cnn1CCC(C)C ZINC000826234812 607559951 /nfs/dbraw/zinc/55/99/51/607559951.db2.gz OZIFQLDQCVFSGT-CQSZACIVSA-N -1 3 368.441 3.336 20 0 FGADHM Cc1c(C(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)cnn1CCC(C)C ZINC000826234812 607559953 /nfs/dbraw/zinc/55/99/53/607559953.db2.gz OZIFQLDQCVFSGT-CQSZACIVSA-N -1 3 368.441 3.336 20 0 FGADHM O=C([O-])NC[C@@H]1CCCCN1CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000740623877 602378941 /nfs/dbraw/zinc/37/89/41/602378941.db2.gz OFRZOHBZRUCJOQ-LBPRGKRZSA-N -1 3 374.268 3.444 20 0 FGADHM CN(CC1CCN(Cc2ccc(OCc3cccnc3)cc2)CC1)C(=O)[O-] ZINC000739666375 602381569 /nfs/dbraw/zinc/38/15/69/602381569.db2.gz QXCJCVQOJVJWGC-UHFFFAOYSA-N -1 3 369.465 3.482 20 0 FGADHM Cc1ccc([C@@H](CNC(=O)Nc2cccc(CNC(=O)[O-])c2)N(C)C)cc1 ZINC000740117511 602452633 /nfs/dbraw/zinc/45/26/33/602452633.db2.gz KDTDAFUDFYHLIW-GOSISDBHSA-N -1 3 370.453 3.187 20 0 FGADHM Cc1nn(C)c(Oc2ccccc2)c1CNCC[C@@H]1CCCN(C(=O)[O-])C1 ZINC000740245453 602650314 /nfs/dbraw/zinc/65/03/14/602650314.db2.gz HZGONAXCSMSASD-INIZCTEOSA-N -1 3 372.469 3.391 20 0 FGADHM C[C@@H]1CN(Cc2ccc(OCc3ccccn3)cc2)CC[C@H]1NC(=O)[O-] ZINC000739194127 602767223 /nfs/dbraw/zinc/76/72/23/602767223.db2.gz UUXDOBVIIWKRLJ-DNVCBOLYSA-N -1 3 355.438 3.139 20 0 FGADHM COc1cc(CNC[C@H]2CCCCN2C(=O)[O-])c(SC)cc1OC ZINC000739859484 603071624 /nfs/dbraw/zinc/07/16/24/603071624.db2.gz HRQDTWOBNUFAND-CYBMUJFWSA-N -1 3 354.472 3.048 20 0 FGADHM COc1ccc(COC(=O)C[C@@H](C)c2ccccc2F)cc1-c1nnn[n-]1 ZINC000826204958 607605079 /nfs/dbraw/zinc/60/50/79/607605079.db2.gz DZVPINRFADYXFE-GFCCVEGCSA-N -1 3 370.384 3.251 20 0 FGADHM COc1ccc(COC(=O)C[C@@H](C)c2ccccc2F)cc1-c1nn[n-]n1 ZINC000826204958 607605081 /nfs/dbraw/zinc/60/50/81/607605081.db2.gz DZVPINRFADYXFE-GFCCVEGCSA-N -1 3 370.384 3.251 20 0 FGADHM COc1ccc(COC(=O)c2ccc(C(F)F)cc2)cc1-c1nnn[n-]1 ZINC000826206338 607605598 /nfs/dbraw/zinc/60/55/98/607605598.db2.gz OFRSZDSWXICBFG-UHFFFAOYSA-N -1 3 360.320 3.170 20 0 FGADHM COc1ccc(COC(=O)c2ccc(C(F)F)cc2)cc1-c1nn[n-]n1 ZINC000826206338 607605599 /nfs/dbraw/zinc/60/55/99/607605599.db2.gz OFRSZDSWXICBFG-UHFFFAOYSA-N -1 3 360.320 3.170 20 0 FGADHM C[C@H](NC(=O)c1oc2ccccc2c1CN(C)C)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739029643 603097909 /nfs/dbraw/zinc/09/79/09/603097909.db2.gz FOXQAKZZQWNSIP-UONOGXRCSA-N -1 3 373.453 3.003 20 0 FGADHM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)N[C@H](C)CN1CCCCC1 ZINC000829173093 603323088 /nfs/dbraw/zinc/32/30/88/603323088.db2.gz DFHYOJHCJMYQJA-LLVKDONJSA-N -1 3 369.849 3.043 20 0 FGADHM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)NC[C@H](C)N1CCCCC1 ZINC000829181685 603376493 /nfs/dbraw/zinc/37/64/93/603376493.db2.gz ANKAEGOIXWNJJY-NSHDSACASA-N -1 3 369.849 3.043 20 0 FGADHM CN(C(=O)[O-])C1CCN(CCc2nc(-c3cccc(Cl)c3)no2)CC1 ZINC000737938124 603409585 /nfs/dbraw/zinc/40/95/85/603409585.db2.gz UPFAMNGNHABGSQ-UHFFFAOYSA-N -1 3 364.833 3.007 20 0 FGADHM C[C@@H](N[C@H]1CCN(C(=O)[O-])C1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000825480309 603643273 /nfs/dbraw/zinc/64/32/73/603643273.db2.gz VWKTUCOFARYJQG-KDOFPFPSSA-N -1 3 353.422 3.342 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccc(Br)cc1 ZINC000826249906 607644344 /nfs/dbraw/zinc/64/43/44/607644344.db2.gz ASLFRZIKMZRDHI-UHFFFAOYSA-N -1 3 358.199 3.190 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccc(Br)cc1 ZINC000826249906 607644345 /nfs/dbraw/zinc/64/43/45/607644345.db2.gz ASLFRZIKMZRDHI-UHFFFAOYSA-N -1 3 358.199 3.190 20 0 FGADHM CCC[C@@H](NC(=O)CN(C)C1CCC(NC(=O)[O-])CC1)c1ccccc1 ZINC000826742411 603784666 /nfs/dbraw/zinc/78/46/66/603784666.db2.gz AFCPOVGYGRGZEX-DAWZGUTISA-N -1 3 361.486 3.155 20 0 FGADHM Cc1nc2ccccc2c(SCC(=O)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000826327484 607655856 /nfs/dbraw/zinc/65/58/56/607655856.db2.gz JQFSUALSJIOYQP-UHFFFAOYSA-N -1 3 362.418 3.093 20 0 FGADHM Cc1nc2ccccc2c(SCC(=O)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000826327484 607655858 /nfs/dbraw/zinc/65/58/58/607655858.db2.gz JQFSUALSJIOYQP-UHFFFAOYSA-N -1 3 362.418 3.093 20 0 FGADHM O=C([O-])N1CCc2cccc(CNC[C@@H](O)c3c(F)cccc3Cl)c21 ZINC000832087416 603866087 /nfs/dbraw/zinc/86/60/87/603866087.db2.gz SWPOFXQTILQHSS-OAHLLOKOSA-N -1 3 364.804 3.343 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(C)[C@@H](C)c1cc(F)ccc1F ZINC000826243652 607660246 /nfs/dbraw/zinc/66/02/46/607660246.db2.gz POUHTKVCNAYRHD-NSHDSACASA-N -1 3 357.364 3.287 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(C)[C@@H](C)c1cc(F)ccc1F ZINC000826243652 607660248 /nfs/dbraw/zinc/66/02/48/607660248.db2.gz POUHTKVCNAYRHD-NSHDSACASA-N -1 3 357.364 3.287 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@@H](C)c1ccc(OC(C)C)cc1 ZINC000826247149 607660610 /nfs/dbraw/zinc/66/06/10/607660610.db2.gz VJSCRNPUXYJVNZ-AWEZNQCLSA-N -1 3 365.437 3.453 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@@H](C)c1ccc(OC(C)C)cc1 ZINC000826247149 607660612 /nfs/dbraw/zinc/66/06/12/607660612.db2.gz VJSCRNPUXYJVNZ-AWEZNQCLSA-N -1 3 365.437 3.453 20 0 FGADHM Cc1cc(C)n(-c2cccc(NC(=O)c3ccc(-c4nnn[n-]4)cc3C)c2)n1 ZINC000826265075 607664260 /nfs/dbraw/zinc/66/42/60/607664260.db2.gz LBTCIQIUGDGRGO-UHFFFAOYSA-N -1 3 373.420 3.230 20 0 FGADHM Cc1cc(C)n(-c2cccc(NC(=O)c3ccc(-c4nn[n-]n4)cc3C)c2)n1 ZINC000826265075 607664262 /nfs/dbraw/zinc/66/42/62/607664262.db2.gz LBTCIQIUGDGRGO-UHFFFAOYSA-N -1 3 373.420 3.230 20 0 FGADHM C[C@H](NC(=O)CN(C)C1CCN(C(=O)[O-])CC1)c1ccc2ccccc2c1 ZINC000825114388 603986692 /nfs/dbraw/zinc/98/66/92/603986692.db2.gz DRCXSAWEAMBCHM-HNNXBMFYSA-N -1 3 369.465 3.091 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@@H]1CCOc2c(Cl)cccc21 ZINC000826247437 607670690 /nfs/dbraw/zinc/67/06/90/607670690.db2.gz DCXGWBMGIRLGKN-OAHLLOKOSA-N -1 3 369.812 3.082 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@@H]1CCOc2c(Cl)cccc21 ZINC000826247437 607670692 /nfs/dbraw/zinc/67/06/92/607670692.db2.gz DCXGWBMGIRLGKN-OAHLLOKOSA-N -1 3 369.812 3.082 20 0 FGADHM C[C@@H](NC(=O)[O-])[C@H]1CCCN(Cc2cc(=O)oc3cc4c(cc23)CCC4)C1 ZINC000825265258 604242127 /nfs/dbraw/zinc/24/21/27/604242127.db2.gz RHBCMOHHMGRMDB-CJNGLKHVSA-N -1 3 370.449 3.150 20 0 FGADHM CN(Cc1cc2c(cc1Br)OCCO2)C1(C(=O)[O-])CCCC1 ZINC000320012567 604461368 /nfs/dbraw/zinc/46/13/68/604461368.db2.gz VNEZDLLQBAZXDE-UHFFFAOYSA-N -1 3 370.243 3.050 20 0 FGADHM CC(C)N1CCN(c2cccc(NC(=O)CC(C)(C)CC(=O)[O-])c2)CC1 ZINC000833499377 604505473 /nfs/dbraw/zinc/50/54/73/604505473.db2.gz OCAPRMHATFLQNT-UHFFFAOYSA-N -1 3 361.486 3.047 20 0 FGADHM O=C(N[C@@H](CCc1ccccc1)c1ccccc1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826425957 607701421 /nfs/dbraw/zinc/70/14/21/607701421.db2.gz ARLKHZOPNAVDNH-KRWDZBQOSA-N -1 3 372.432 3.299 20 0 FGADHM O=C(N[C@@H](CCc1ccccc1)c1ccccc1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826425957 607701423 /nfs/dbraw/zinc/70/14/23/607701423.db2.gz ARLKHZOPNAVDNH-KRWDZBQOSA-N -1 3 372.432 3.299 20 0 FGADHM C[C@@H](Oc1ccc(CN(C)C[C@H]2OCCc3ccccc32)cc1)C(=O)[O-] ZINC000833539210 604607832 /nfs/dbraw/zinc/60/78/32/604607832.db2.gz XRRRYDDIOKLWDQ-FOIQADDNSA-N -1 3 355.434 3.284 20 0 FGADHM CC(=O)Nc1ccc(CN2CCN(c3ccc(C(=O)[O-])cc3)C[C@H]2C)cc1 ZINC000833399833 604619399 /nfs/dbraw/zinc/61/93/99/604619399.db2.gz PXIBVQCUEFCUNH-OAHLLOKOSA-N -1 3 367.449 3.054 20 0 FGADHM Cc1ccc(-c2csc(NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)n2)cc1C ZINC000826273618 607704055 /nfs/dbraw/zinc/70/40/55/607704055.db2.gz MVWRQPNPJAJORA-UHFFFAOYSA-N -1 3 365.422 3.187 20 0 FGADHM Cc1ccc(-c2csc(NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)n2)cc1C ZINC000826273618 607704057 /nfs/dbraw/zinc/70/40/57/607704057.db2.gz MVWRQPNPJAJORA-UHFFFAOYSA-N -1 3 365.422 3.187 20 0 FGADHM O=C(c1ccc(-c2nnn[n-]2)[nH]1)N1CC=C(c2cccc3ccccc32)CC1 ZINC000826471450 607712468 /nfs/dbraw/zinc/71/24/68/607712468.db2.gz ZULKCZUSHPNSGE-UHFFFAOYSA-N -1 3 370.416 3.278 20 0 FGADHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1CC=C(c2cccc3ccccc32)CC1 ZINC000826471450 607712470 /nfs/dbraw/zinc/71/24/70/607712470.db2.gz ZULKCZUSHPNSGE-UHFFFAOYSA-N -1 3 370.416 3.278 20 0 FGADHM COc1ccccc1[C@@H](CN[C@H](C)c1ccc2c(c1)OCO2)NC(=O)[O-] ZINC000829597050 604760319 /nfs/dbraw/zinc/76/03/19/604760319.db2.gz DTICRJMGFUZYLQ-IUODEOHRSA-N -1 3 358.394 3.083 20 0 FGADHM O=C([O-])[C@@H](O)C1CCN(Cc2cccc(OCc3ccccc3F)c2)CC1 ZINC000833770406 604761897 /nfs/dbraw/zinc/76/18/97/604761897.db2.gz FTKMQPCBYGUPIK-FQEVSTJZSA-N -1 3 373.424 3.062 20 0 FGADHM C[C@@H](C(=O)Nc1ccc(F)c(F)c1)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000833410167 604942644 /nfs/dbraw/zinc/94/26/44/604942644.db2.gz VVHLVZKNIDLLDH-NWDGAFQWSA-N -1 3 354.397 3.115 20 0 FGADHM Cc1nn(C)c2nc(Cl)c(CN3CCC[C@@H](C(C)(C)C(=O)[O-])C3)cc12 ZINC000833756154 604948268 /nfs/dbraw/zinc/94/82/68/604948268.db2.gz BESAVTFVRIUCOB-CYBMUJFWSA-N -1 3 364.877 3.253 20 0 FGADHM CCN(CCN[C@@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1)C(=O)[O-] ZINC000827151352 604957903 /nfs/dbraw/zinc/95/79/03/604957903.db2.gz YLSSNMKIUATZOG-AWEZNQCLSA-N -1 3 368.499 3.053 20 0 FGADHM Cc1ccc([C@@H](CNC(=O)c2ccc(C(=O)[O-])c(F)c2)N2CCCC2)cc1 ZINC000832923137 604966146 /nfs/dbraw/zinc/96/61/46/604966146.db2.gz JLLVNSMDLOZLKG-LJQANCHMSA-N -1 3 370.424 3.399 20 0 FGADHM CCSc1ccc(CC(=O)OCc2cc(F)ccc2-c2nnn[n-]2)cc1 ZINC000825674794 607728088 /nfs/dbraw/zinc/72/80/88/607728088.db2.gz RZENPDRELBGEGQ-UHFFFAOYSA-N -1 3 372.425 3.404 20 0 FGADHM CCSc1ccc(CC(=O)OCc2cc(F)ccc2-c2nn[n-]n2)cc1 ZINC000825674794 607728090 /nfs/dbraw/zinc/72/80/90/607728090.db2.gz RZENPDRELBGEGQ-UHFFFAOYSA-N -1 3 372.425 3.404 20 0 FGADHM Cc1ccc(-c2csc(NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)n2)c(C)c1 ZINC000826273505 607731772 /nfs/dbraw/zinc/73/17/72/607731772.db2.gz HLRMVLFZCRRKJW-UHFFFAOYSA-N -1 3 365.422 3.187 20 0 FGADHM Cc1ccc(-c2csc(NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)n2)c(C)c1 ZINC000826273505 607731774 /nfs/dbraw/zinc/73/17/74/607731774.db2.gz HLRMVLFZCRRKJW-UHFFFAOYSA-N -1 3 365.422 3.187 20 0 FGADHM C[C@H](C[C@H](O)c1cccs1)Nc1c(F)cc(-c2nnn[n-]2)cc1F ZINC000824390394 607732475 /nfs/dbraw/zinc/73/24/75/607732475.db2.gz AEACFYUCXBCYEM-PELKAZGASA-N -1 3 351.382 3.131 20 0 FGADHM C[C@H](C[C@H](O)c1cccs1)Nc1c(F)cc(-c2nn[n-]n2)cc1F ZINC000824390394 607732478 /nfs/dbraw/zinc/73/24/78/607732478.db2.gz AEACFYUCXBCYEM-PELKAZGASA-N -1 3 351.382 3.131 20 0 FGADHM CN(C[C@H]1CCCN1Cc1ccccc1CC(=O)[O-])C(=O)OC(C)(C)C ZINC000833693370 605073500 /nfs/dbraw/zinc/07/35/00/605073500.db2.gz VHAGRQMBWGDTLD-QGZVFWFLSA-N -1 3 362.470 3.145 20 0 FGADHM COC[C@](C)(CC(=O)[O-])NCc1cc(C)nc(-c2ccc(Cl)cc2)n1 ZINC000833722288 605077060 /nfs/dbraw/zinc/07/70/60/605077060.db2.gz QCMSULXMHVYJQE-SFHVURJKSA-N -1 3 363.845 3.075 20 0 FGADHM C[C@@H](C[C@H](O)c1cccs1)Nc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000824393508 607733252 /nfs/dbraw/zinc/73/32/52/607733252.db2.gz SIAJXKKYYGRYCB-NHYWBVRUSA-N -1 3 366.450 3.401 20 0 FGADHM C[C@@H](C[C@H](O)c1cccs1)Nc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000824393508 607733253 /nfs/dbraw/zinc/73/32/53/607733253.db2.gz SIAJXKKYYGRYCB-NHYWBVRUSA-N -1 3 366.450 3.401 20 0 FGADHM CC[C@@H](NCc1ccc(C(=O)[O-])o1)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000833643759 605121012 /nfs/dbraw/zinc/12/10/12/605121012.db2.gz GLKLRJOSJQLBOV-AEFFLSMTSA-N -1 3 354.410 3.036 20 0 FGADHM O=C(c1ccc(-c2nnn[n-]2)[nH]1)N(Cc1ccc(F)cc1F)C1CCCC1 ZINC000826471239 607735543 /nfs/dbraw/zinc/73/55/43/607735543.db2.gz SHTUQYWNFADVBE-UHFFFAOYSA-N -1 3 372.379 3.058 20 0 FGADHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N(Cc1ccc(F)cc1F)C1CCCC1 ZINC000826471239 607735544 /nfs/dbraw/zinc/73/55/44/607735544.db2.gz SHTUQYWNFADVBE-UHFFFAOYSA-N -1 3 372.379 3.058 20 0 FGADHM C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)Cc1ccccc1C(=O)[O-] ZINC000833615929 605255311 /nfs/dbraw/zinc/25/53/11/605255311.db2.gz NFVIXMNBIPCTPO-QGZVFWFLSA-N -1 3 366.461 3.050 20 0 FGADHM Cc1cccc([C@@H]2CCCCN2C(=O)c2ccc(-c3nnn[n-]3)[nH]2)c1C ZINC000826297978 607745174 /nfs/dbraw/zinc/74/51/74/607745174.db2.gz YLXGETIICUNUKU-KRWDZBQOSA-N -1 3 350.426 3.179 20 0 FGADHM Cc1cccc([C@@H]2CCCCN2C(=O)c2ccc(-c3nn[n-]n3)[nH]2)c1C ZINC000826297978 607745175 /nfs/dbraw/zinc/74/51/75/607745175.db2.gz YLXGETIICUNUKU-KRWDZBQOSA-N -1 3 350.426 3.179 20 0 FGADHM CC1=C(C(=O)[O-])C[C@@H](CN2CCC(Oc3ccccc3Cl)CC2)O1 ZINC000833586070 605375832 /nfs/dbraw/zinc/37/58/32/605375832.db2.gz WSIBLFPBQYERLV-AWEZNQCLSA-N -1 3 351.830 3.331 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CC[C@H]1Cc1ccccc1 ZINC000826452478 607758101 /nfs/dbraw/zinc/75/81/01/607758101.db2.gz UYQJWHZXTYANCX-AWEZNQCLSA-N -1 3 368.828 3.369 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CC[C@H]1Cc1ccccc1 ZINC000826452478 607758102 /nfs/dbraw/zinc/75/81/02/607758102.db2.gz UYQJWHZXTYANCX-AWEZNQCLSA-N -1 3 368.828 3.369 20 0 FGADHM CCC[C@H](C)CC(=O)Nc1ccc(NC(=O)OCC)c(-c2nnn[n-]2)c1 ZINC000825233600 607759721 /nfs/dbraw/zinc/75/97/21/607759721.db2.gz RIRYHQUFEIEROU-NSHDSACASA-N -1 3 360.418 3.200 20 0 FGADHM CCC[C@H](C)CC(=O)Nc1ccc(NC(=O)OCC)c(-c2nn[n-]n2)c1 ZINC000825233600 607759722 /nfs/dbraw/zinc/75/97/22/607759722.db2.gz RIRYHQUFEIEROU-NSHDSACASA-N -1 3 360.418 3.200 20 0 FGADHM CCOC(=O)Nc1ccc(NC(=O)CCC(C)(C)C)cc1-c1nnn[n-]1 ZINC000825531979 607761026 /nfs/dbraw/zinc/76/10/26/607761026.db2.gz NTSSHCZKKIVXBF-UHFFFAOYSA-N -1 3 360.418 3.200 20 0 FGADHM CCOC(=O)Nc1ccc(NC(=O)CCC(C)(C)C)cc1-c1nn[n-]n1 ZINC000825531979 607761027 /nfs/dbraw/zinc/76/10/27/607761027.db2.gz NTSSHCZKKIVXBF-UHFFFAOYSA-N -1 3 360.418 3.200 20 0 FGADHM CS[C@@H](C)CNC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826226414 607764382 /nfs/dbraw/zinc/76/43/82/607764382.db2.gz YZJQKANUFPCQQB-LBPRGKRZSA-N -1 3 368.466 3.092 20 0 FGADHM Cc1ccc(C(=O)Nc2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)o1 ZINC000826282592 607770537 /nfs/dbraw/zinc/77/05/37/607770537.db2.gz WCCUDHVLSOBDNX-UHFFFAOYSA-N -1 3 352.379 3.144 20 0 FGADHM Cc1ccc(C(=O)Nc2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)o1 ZINC000826282592 607770538 /nfs/dbraw/zinc/77/05/38/607770538.db2.gz WCCUDHVLSOBDNX-UHFFFAOYSA-N -1 3 352.379 3.144 20 0 FGADHM O=C([O-])N[C@H]1C[C@H](NCc2ccc3c(c2)OCCCO3)c2ccccc21 ZINC000834159772 605798322 /nfs/dbraw/zinc/79/83/22/605798322.db2.gz XDCLQEDLZPKGHP-IRXDYDNUSA-N -1 3 354.406 3.391 20 0 FGADHM C[C@@H]1CN(C[C@H]2CCCN2Cc2cc(C(=O)[O-])ccc2Cl)C[C@H](C)O1 ZINC000833626666 605831828 /nfs/dbraw/zinc/83/18/28/605831828.db2.gz ORLWAGIYOPXKBJ-JKIFEVAISA-N -1 3 366.889 3.112 20 0 FGADHM O=C([O-])N1CCC[C@H](CN2C[C@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)C1 ZINC000834100629 605880003 /nfs/dbraw/zinc/88/00/03/605880003.db2.gz UHFBKLUAFWPJPG-APHBMKBZSA-N -1 3 372.387 3.203 20 0 FGADHM CC(C)Nc1ccc(F)cc1NC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000820137128 606024472 /nfs/dbraw/zinc/02/44/72/606024472.db2.gz FURRVXZDOKXAOJ-UHFFFAOYSA-N -1 3 354.389 3.007 20 0 FGADHM CC(C)Nc1ccc(F)cc1NC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000820137128 606024473 /nfs/dbraw/zinc/02/44/73/606024473.db2.gz FURRVXZDOKXAOJ-UHFFFAOYSA-N -1 3 354.389 3.007 20 0 FGADHM O=C(Nc1cccc(CNc2ccc(-c3nnn[n-]3)nc2)c1)c1ccccc1 ZINC000823364106 606047488 /nfs/dbraw/zinc/04/74/88/606047488.db2.gz ZTJSOFKLPQOWHN-UHFFFAOYSA-N -1 3 371.404 3.126 20 0 FGADHM O=C(Nc1cccc(CNc2ccc(-c3nn[n-]n3)nc2)c1)c1ccccc1 ZINC000823364106 606047492 /nfs/dbraw/zinc/04/74/92/606047492.db2.gz ZTJSOFKLPQOWHN-UHFFFAOYSA-N -1 3 371.404 3.126 20 0 FGADHM O=C([O-])N[C@H]1C[C@H](NCc2ccc(N3CCOC3=O)cc2)c2ccccc21 ZINC000834158706 606052920 /nfs/dbraw/zinc/05/29/20/606052920.db2.gz OXRURHNODRADBH-ROUUACIJSA-N -1 3 367.405 3.187 20 0 FGADHM Cc1ccc(CCC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)o1 ZINC000822234898 606103223 /nfs/dbraw/zinc/10/32/23/606103223.db2.gz KYWYKKQRFISQDG-UHFFFAOYSA-N -1 3 353.426 3.138 20 0 FGADHM Cc1ccc(CCC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)o1 ZINC000822234898 606103225 /nfs/dbraw/zinc/10/32/25/606103225.db2.gz KYWYKKQRFISQDG-UHFFFAOYSA-N -1 3 353.426 3.138 20 0 FGADHM C[C@H]1CCN(C(=O)c2sccc2-c2nnn[n-]2)[C@@H]1c1cccc(F)c1 ZINC000820717878 606109888 /nfs/dbraw/zinc/10/98/88/606109888.db2.gz YAIFYKRESMZCNQ-HZMBPMFUSA-N -1 3 357.414 3.291 20 0 FGADHM C[C@H]1CCN(C(=O)c2sccc2-c2nn[n-]n2)[C@@H]1c1cccc(F)c1 ZINC000820717878 606109889 /nfs/dbraw/zinc/10/98/89/606109889.db2.gz YAIFYKRESMZCNQ-HZMBPMFUSA-N -1 3 357.414 3.291 20 0 FGADHM CC[C@H](C)Oc1ccc(C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000820876869 606112953 /nfs/dbraw/zinc/11/29/53/606112953.db2.gz VEFASRFUSBYWIT-LBPRGKRZSA-N -1 3 369.400 3.113 20 0 FGADHM CC[C@H](C)Oc1ccc(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000820876869 606112954 /nfs/dbraw/zinc/11/29/54/606112954.db2.gz VEFASRFUSBYWIT-LBPRGKRZSA-N -1 3 369.400 3.113 20 0 FGADHM COc1ccc([C@@H](C)CC(=O)OCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000821777610 606127768 /nfs/dbraw/zinc/12/77/68/606127768.db2.gz JKCAJFPXDMWRDM-LBPRGKRZSA-N -1 3 370.384 3.251 20 0 FGADHM COc1ccc([C@@H](C)CC(=O)OCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000821777610 606127769 /nfs/dbraw/zinc/12/77/69/606127769.db2.gz JKCAJFPXDMWRDM-LBPRGKRZSA-N -1 3 370.384 3.251 20 0 FGADHM COc1ccc(CNc2ccc(COC(C)C)cc2)cc1-c1nnn[n-]1 ZINC000821821308 606132763 /nfs/dbraw/zinc/13/27/63/606132763.db2.gz DYGSVLNVVOECCQ-UHFFFAOYSA-N -1 3 353.426 3.412 20 0 FGADHM COc1ccc(CNc2ccc(COC(C)C)cc2)cc1-c1nn[n-]n1 ZINC000821821308 606132765 /nfs/dbraw/zinc/13/27/65/606132765.db2.gz DYGSVLNVVOECCQ-UHFFFAOYSA-N -1 3 353.426 3.412 20 0 FGADHM Fc1cccc(-c2cnc(CSc3cc(-c4nnn[n-]4)ccn3)o2)c1 ZINC000822786518 606172229 /nfs/dbraw/zinc/17/22/29/606172229.db2.gz LRLBYPYXNLTCBP-UHFFFAOYSA-N -1 3 354.370 3.348 20 0 FGADHM Fc1cccc(-c2cnc(CSc3cc(-c4nn[n-]n4)ccn3)o2)c1 ZINC000822786518 606172231 /nfs/dbraw/zinc/17/22/31/606172231.db2.gz LRLBYPYXNLTCBP-UHFFFAOYSA-N -1 3 354.370 3.348 20 0 FGADHM CC(C)c1cnc(SCCCOc2ccc(-c3nn[n-]n3)cc2)n1C ZINC000820198584 606172701 /nfs/dbraw/zinc/17/27/01/606172701.db2.gz ZPVJFRLMVIBMKK-UHFFFAOYSA-N -1 3 358.471 3.285 20 0 FGADHM C[C@H]1Sc2ccccc2N(C(=O)Cc2ccc(-c3nnn[n-]3)cc2)[C@H]1C ZINC000820819387 606190069 /nfs/dbraw/zinc/19/00/69/606190069.db2.gz IERULXPLOFPRJM-QWHCGFSZSA-N -1 3 365.462 3.325 20 0 FGADHM C[C@H]1Sc2ccccc2N(C(=O)Cc2ccc(-c3nn[n-]n3)cc2)[C@H]1C ZINC000820819387 606190070 /nfs/dbraw/zinc/19/00/70/606190070.db2.gz IERULXPLOFPRJM-QWHCGFSZSA-N -1 3 365.462 3.325 20 0 FGADHM Cc1nc(-c2ccccc2)oc1C(=O)OCc1ccccc1-c1nnn[n-]1 ZINC000822419627 606193234 /nfs/dbraw/zinc/19/32/34/606193234.db2.gz RSEFOTVJHMXHLU-UHFFFAOYSA-N -1 3 361.361 3.187 20 0 FGADHM Cc1nc(-c2ccccc2)oc1C(=O)OCc1ccccc1-c1nn[n-]n1 ZINC000822419627 606193235 /nfs/dbraw/zinc/19/32/35/606193235.db2.gz RSEFOTVJHMXHLU-UHFFFAOYSA-N -1 3 361.361 3.187 20 0 FGADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000822650591 606207738 /nfs/dbraw/zinc/20/77/38/606207738.db2.gz VTOVYCFUERJBGJ-UHFFFAOYSA-N -1 3 360.377 3.250 20 0 FGADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000822650591 606207740 /nfs/dbraw/zinc/20/77/40/606207740.db2.gz VTOVYCFUERJBGJ-UHFFFAOYSA-N -1 3 360.377 3.250 20 0 FGADHM c1cn(CCCc2ccccc2)c(CNc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000823780425 606233050 /nfs/dbraw/zinc/23/30/50/606233050.db2.gz SUWIHUJVADDTJM-UHFFFAOYSA-N -1 3 359.437 3.308 20 0 FGADHM C[C@@]1(CNc2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)CCCC[C@@H]1O ZINC000820618369 606242314 /nfs/dbraw/zinc/24/23/14/606242314.db2.gz AZPHPSXPKXEXEY-KSSFIOAISA-N -1 3 374.395 3.046 20 0 FGADHM C[C@@]1(CNc2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)CCCC[C@@H]1O ZINC000820618369 606242315 /nfs/dbraw/zinc/24/23/15/606242315.db2.gz AZPHPSXPKXEXEY-KSSFIOAISA-N -1 3 374.395 3.046 20 0 FGADHM CC(C)[C@@H](c1ccccc1Cl)N(C)C(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000820033063 606252447 /nfs/dbraw/zinc/25/24/47/606252447.db2.gz SDIMYGHAUPPJGX-INIZCTEOSA-N -1 3 372.860 3.328 20 0 FGADHM CC(C)[C@@H](c1ccccc1Cl)N(C)C(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000820033063 606252448 /nfs/dbraw/zinc/25/24/48/606252448.db2.gz SDIMYGHAUPPJGX-INIZCTEOSA-N -1 3 372.860 3.328 20 0 FGADHM Cc1ccc([C@H]2[C@@H](C)CCCN2C(=O)c2cc(-c3nnn[n-]3)cn2C)cc1 ZINC000822232083 606255071 /nfs/dbraw/zinc/25/50/71/606255071.db2.gz SOYVRPCZLZHXCA-KBXCAEBGSA-N -1 3 364.453 3.127 20 0 FGADHM Cc1ccc([C@H]2[C@@H](C)CCCN2C(=O)c2cc(-c3nn[n-]n3)cn2C)cc1 ZINC000822232083 606255073 /nfs/dbraw/zinc/25/50/73/606255073.db2.gz SOYVRPCZLZHXCA-KBXCAEBGSA-N -1 3 364.453 3.127 20 0 FGADHM C[C@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1c(Cl)ccc(F)c1Cl ZINC000820384463 606258800 /nfs/dbraw/zinc/25/88/00/606258800.db2.gz FVWPMDKIWSBMJV-LURJTMIESA-N -1 3 369.187 3.132 20 0 FGADHM C[C@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1c(Cl)ccc(F)c1Cl ZINC000820384463 606258801 /nfs/dbraw/zinc/25/88/01/606258801.db2.gz FVWPMDKIWSBMJV-LURJTMIESA-N -1 3 369.187 3.132 20 0 FGADHM Cc1cccc([C@@H]2CCCCN2C(=O)c2cc(-c3nnn[n-]3)cn2C)c1C ZINC000822299865 606258967 /nfs/dbraw/zinc/25/89/67/606258967.db2.gz XIEWQHPVWMOXDL-KRWDZBQOSA-N -1 3 364.453 3.189 20 0 FGADHM Cc1cccc([C@@H]2CCCCN2C(=O)c2cc(-c3nn[n-]n3)cn2C)c1C ZINC000822299865 606258969 /nfs/dbraw/zinc/25/89/69/606258969.db2.gz XIEWQHPVWMOXDL-KRWDZBQOSA-N -1 3 364.453 3.189 20 0 FGADHM CSCCNC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000821971175 606267146 /nfs/dbraw/zinc/26/71/46/606267146.db2.gz YHXKCFKDYMNNQQ-UHFFFAOYSA-N -1 3 371.491 3.111 20 0 FGADHM CSCCNC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000821971175 606267147 /nfs/dbraw/zinc/26/71/47/606267147.db2.gz YHXKCFKDYMNNQQ-UHFFFAOYSA-N -1 3 371.491 3.111 20 0 FGADHM COc1ccc(S[C@H](C)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000821846651 606268846 /nfs/dbraw/zinc/26/88/46/606268846.db2.gz WXJAKSLAWZSJGR-SNVBAGLBSA-N -1 3 373.413 3.134 20 0 FGADHM COc1ccc(S[C@H](C)C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000821846651 606268847 /nfs/dbraw/zinc/26/88/47/606268847.db2.gz WXJAKSLAWZSJGR-SNVBAGLBSA-N -1 3 373.413 3.134 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)[C@@H]1C[C@]12CCCc1ccccc12 ZINC000823337262 606271095 /nfs/dbraw/zinc/27/10/95/606271095.db2.gz JFBBLEIFRCKXCF-JXFKEZNVSA-N -1 3 363.396 3.239 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)[C@@H]1C[C@]12CCCc1ccccc12 ZINC000823337262 606271097 /nfs/dbraw/zinc/27/10/97/606271097.db2.gz JFBBLEIFRCKXCF-JXFKEZNVSA-N -1 3 363.396 3.239 20 0 FGADHM CCc1cccc2c(CC(=O)Nc3ccc(F)cc3-c3nnn[n-]3)c[nH]c21 ZINC000821491962 606272746 /nfs/dbraw/zinc/27/27/46/606272746.db2.gz DYPRWUKQQUJBRU-UHFFFAOYSA-N -1 3 364.384 3.231 20 0 FGADHM CCc1cccc2c(CC(=O)Nc3ccc(F)cc3-c3nn[n-]n3)c[nH]c21 ZINC000821491962 606272748 /nfs/dbraw/zinc/27/27/48/606272748.db2.gz DYPRWUKQQUJBRU-UHFFFAOYSA-N -1 3 364.384 3.231 20 0 FGADHM COc1ccccc1C[C@H](C)CC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000821889371 606272775 /nfs/dbraw/zinc/27/27/75/606272775.db2.gz ACZQZIWMOUIQSI-LBPRGKRZSA-N -1 3 369.400 3.222 20 0 FGADHM COc1ccccc1C[C@H](C)CC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000821889371 606272777 /nfs/dbraw/zinc/27/27/77/606272777.db2.gz ACZQZIWMOUIQSI-LBPRGKRZSA-N -1 3 369.400 3.222 20 0 FGADHM COC(=O)[C@H](Nc1ccc(C(C)C)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000821645161 606297346 /nfs/dbraw/zinc/29/73/46/606297346.db2.gz SGVKPETVNVQXCH-QGZVFWFLSA-N -1 3 351.410 3.316 20 0 FGADHM COC(=O)[C@H](Nc1ccc(C(C)C)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000821645161 606297347 /nfs/dbraw/zinc/29/73/47/606297347.db2.gz SGVKPETVNVQXCH-QGZVFWFLSA-N -1 3 351.410 3.316 20 0 FGADHM Cc1cccc2c(=O)[nH]c(C(Cl)=Cc3cc(-c4nnn[n-]4)cs3)nc12 ZINC000822331308 606303876 /nfs/dbraw/zinc/30/38/76/606303876.db2.gz COZOCYKWTHEIIB-SDQBBNPISA-N -1 3 370.825 3.210 20 0 FGADHM Cc1cccc2c(=O)[nH]c(C(Cl)=Cc3cc(-c4nn[n-]n4)cs3)nc12 ZINC000822331308 606303878 /nfs/dbraw/zinc/30/38/78/606303878.db2.gz COZOCYKWTHEIIB-SDQBBNPISA-N -1 3 370.825 3.210 20 0 FGADHM COC(=O)[C@H](N[C@H](C)c1cc(C)cc(C)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000821640819 606304310 /nfs/dbraw/zinc/30/43/10/606304310.db2.gz PRRDTOFAFLIPGG-RDTXWAMCSA-N -1 3 365.437 3.048 20 0 FGADHM COC(=O)[C@H](N[C@H](C)c1cc(C)cc(C)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000821640819 606304312 /nfs/dbraw/zinc/30/43/12/606304312.db2.gz PRRDTOFAFLIPGG-RDTXWAMCSA-N -1 3 365.437 3.048 20 0 FGADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N(CCc1ccccc1)c1ccccc1 ZINC000823460495 606317249 /nfs/dbraw/zinc/31/72/49/606317249.db2.gz OLGYTGRHEZVGFR-UHFFFAOYSA-N -1 3 358.405 3.084 20 0 FGADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N(CCc1ccccc1)c1ccccc1 ZINC000823460495 606317251 /nfs/dbraw/zinc/31/72/51/606317251.db2.gz OLGYTGRHEZVGFR-UHFFFAOYSA-N -1 3 358.405 3.084 20 0 FGADHM CCC[C@H](Cc1ccccc1)N(CCC)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000821021280 606319884 /nfs/dbraw/zinc/31/98/84/606319884.db2.gz MVUZMGRMGAKVJF-QGZVFWFLSA-N -1 3 366.469 3.458 20 0 FGADHM CCC[C@H](Cc1ccccc1)N(CCC)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000821021280 606319886 /nfs/dbraw/zinc/31/98/86/606319886.db2.gz MVUZMGRMGAKVJF-QGZVFWFLSA-N -1 3 366.469 3.458 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1ccc(F)cc1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823337704 606320664 /nfs/dbraw/zinc/32/06/64/606320664.db2.gz QVOLXEHRLIJUKN-UHFFFAOYSA-N -1 3 366.331 3.392 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1ccc(F)cc1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823337704 606320665 /nfs/dbraw/zinc/32/06/65/606320665.db2.gz QVOLXEHRLIJUKN-UHFFFAOYSA-N -1 3 366.331 3.392 20 0 FGADHM C[C@@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccc(N(C)C)cc1 ZINC000820555059 606323572 /nfs/dbraw/zinc/32/35/72/606323572.db2.gz FQUGPRNZECQGQY-GFCCVEGCSA-N -1 3 368.466 3.052 20 0 FGADHM C[C@@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccc(N(C)C)cc1 ZINC000820555059 606323573 /nfs/dbraw/zinc/32/35/73/606323573.db2.gz FQUGPRNZECQGQY-GFCCVEGCSA-N -1 3 368.466 3.052 20 0 FGADHM CC(=O)c1cccc(NC(=O)[C@@H](C)Sc2cccc(-c3nnn[n-]3)c2)c1 ZINC000819844279 606324965 /nfs/dbraw/zinc/32/49/65/606324965.db2.gz AQUFJSPOOORIPD-GFCCVEGCSA-N -1 3 367.434 3.189 20 0 FGADHM CC(=O)c1cccc(NC(=O)[C@@H](C)Sc2cccc(-c3nn[n-]n3)c2)c1 ZINC000819844279 606324967 /nfs/dbraw/zinc/32/49/67/606324967.db2.gz AQUFJSPOOORIPD-GFCCVEGCSA-N -1 3 367.434 3.189 20 0 FGADHM CC[C@@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)NCc1ccccc1 ZINC000820939127 606327460 /nfs/dbraw/zinc/32/74/60/606327460.db2.gz RCJXDAVRRMHWJR-MRXNPFEDSA-N -1 3 353.451 3.054 20 0 FGADHM CC[C@@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)NCc1ccccc1 ZINC000820939127 606327461 /nfs/dbraw/zinc/32/74/61/606327461.db2.gz RCJXDAVRRMHWJR-MRXNPFEDSA-N -1 3 353.451 3.054 20 0 FGADHM C[C@H]1C[C@H](c2ccccc2)CN1C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820666732 606345548 /nfs/dbraw/zinc/34/55/48/606345548.db2.gz JGWTVPGKPZFZMY-JSGCOSHPSA-N -1 3 366.400 3.416 20 0 FGADHM C[C@H]1C[C@H](c2ccccc2)CN1C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820666732 606345549 /nfs/dbraw/zinc/34/55/49/606345549.db2.gz JGWTVPGKPZFZMY-JSGCOSHPSA-N -1 3 366.400 3.416 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)N1CCC[C@]2(CC=CCC2)C1 ZINC000823344121 606346559 /nfs/dbraw/zinc/34/65/59/606346559.db2.gz QZIWQVKMLBHYOC-GOSISDBHSA-N -1 3 356.405 3.360 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)N1CCC[C@]2(CC=CCC2)C1 ZINC000823344121 606346562 /nfs/dbraw/zinc/34/65/62/606346562.db2.gz QZIWQVKMLBHYOC-GOSISDBHSA-N -1 3 356.405 3.360 20 0 FGADHM Cc1ccc(CC[C@@H](C)NC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)o1 ZINC000822234795 606351530 /nfs/dbraw/zinc/35/15/30/606351530.db2.gz HSSGPACMCXQCQE-SNVBAGLBSA-N -1 3 358.377 3.050 20 0 FGADHM Cc1ccc(CC[C@@H](C)NC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)o1 ZINC000822234795 606351532 /nfs/dbraw/zinc/35/15/32/606351532.db2.gz HSSGPACMCXQCQE-SNVBAGLBSA-N -1 3 358.377 3.050 20 0 FGADHM CC(C)c1ncc(Cl)c(C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000820206748 606355874 /nfs/dbraw/zinc/35/58/74/606355874.db2.gz YXYIJYYADIUHST-SNVBAGLBSA-N -1 3 372.816 3.352 20 0 FGADHM CC(C)c1ncc(Cl)c(C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000820206748 606355876 /nfs/dbraw/zinc/35/58/76/606355876.db2.gz YXYIJYYADIUHST-SNVBAGLBSA-N -1 3 372.816 3.352 20 0 FGADHM O=C(C[C@@H]1CCCO1)Oc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822945599 606361612 /nfs/dbraw/zinc/36/16/12/606361612.db2.gz LCOASQUNLKMVSJ-KRWDZBQOSA-N -1 3 366.377 3.134 20 0 FGADHM O=C(C[C@@H]1CCCO1)Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822945599 606361613 /nfs/dbraw/zinc/36/16/13/606361613.db2.gz LCOASQUNLKMVSJ-KRWDZBQOSA-N -1 3 366.377 3.134 20 0 FGADHM COc1cccc(C(C)=CC(=O)OCc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000821857945 606391930 /nfs/dbraw/zinc/39/19/30/606391930.db2.gz BLOAOGZSFJERHN-XYOKQWHBSA-N -1 3 368.368 3.161 20 0 FGADHM COc1cccc(C(C)=CC(=O)OCc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000821857945 606391931 /nfs/dbraw/zinc/39/19/31/606391931.db2.gz BLOAOGZSFJERHN-XYOKQWHBSA-N -1 3 368.368 3.161 20 0 FGADHM Cc1c2ccccc2oc1[C@@H](C)OC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000822020373 606407662 /nfs/dbraw/zinc/40/76/62/606407662.db2.gz AZRRDLSCEARNKY-LLVKDONJSA-N -1 3 351.366 3.178 20 0 FGADHM Cc1c2ccccc2oc1[C@@H](C)OC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000822020373 606407664 /nfs/dbraw/zinc/40/76/64/606407664.db2.gz AZRRDLSCEARNKY-LLVKDONJSA-N -1 3 351.366 3.178 20 0 FGADHM Fc1ccc(Br)cc1CNCc1ccc(-c2nnn[n-]2)s1 ZINC000822761342 606407903 /nfs/dbraw/zinc/40/79/03/606407903.db2.gz JGZOLEDNLCNONK-UHFFFAOYSA-N -1 3 368.235 3.120 20 0 FGADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)OC(c1ccccc1)c1ccccc1 ZINC000822655610 606408070 /nfs/dbraw/zinc/40/80/70/606408070.db2.gz PSJCVUNMXXQMIL-UHFFFAOYSA-N -1 3 359.389 3.152 20 0 FGADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)OC(c1ccccc1)c1ccccc1 ZINC000822655610 606408072 /nfs/dbraw/zinc/40/80/72/606408072.db2.gz PSJCVUNMXXQMIL-UHFFFAOYSA-N -1 3 359.389 3.152 20 0 FGADHM CCSc1ccc(C(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)cn1 ZINC000821460901 606412155 /nfs/dbraw/zinc/41/21/55/606412155.db2.gz GHEHQKAQMZLQSD-UHFFFAOYSA-N -1 3 374.857 3.304 20 0 FGADHM CCSc1ccc(C(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)cn1 ZINC000821460901 606412157 /nfs/dbraw/zinc/41/21/57/606412157.db2.gz GHEHQKAQMZLQSD-UHFFFAOYSA-N -1 3 374.857 3.304 20 0 FGADHM Clc1ccc(-c2nnc(Sc3ncccc3-c3nnn[n-]3)o2)s1 ZINC000822568637 606433013 /nfs/dbraw/zinc/43/30/13/606433013.db2.gz UTTAKFAQPHGZGI-UHFFFAOYSA-N -1 3 363.815 3.178 20 0 FGADHM Clc1ccc(-c2nnc(Sc3ncccc3-c3nn[n-]n3)o2)s1 ZINC000822568637 606433015 /nfs/dbraw/zinc/43/30/15/606433015.db2.gz UTTAKFAQPHGZGI-UHFFFAOYSA-N -1 3 363.815 3.178 20 0 FGADHM CC1(CNC(=O)NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)CC1 ZINC000820618521 606439949 /nfs/dbraw/zinc/43/99/49/606439949.db2.gz HDPNHDSVJPJGFP-UHFFFAOYSA-N -1 3 368.466 3.195 20 0 FGADHM Cc1cc([C@@H](C)NC(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)ccc1F ZINC000822191755 606440863 /nfs/dbraw/zinc/44/08/63/606440863.db2.gz PPWMISNIFYXBMV-QWHCGFSZSA-N -1 3 368.416 3.436 20 0 FGADHM Cc1cc([C@@H](C)NC(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)ccc1F ZINC000822191755 606440864 /nfs/dbraw/zinc/44/08/64/606440864.db2.gz PPWMISNIFYXBMV-QWHCGFSZSA-N -1 3 368.416 3.436 20 0 FGADHM FC(F)Oc1cc(-c2nnn[n-]2)ccc1CN1CCc2ccccc2C1 ZINC000822731337 606480913 /nfs/dbraw/zinc/48/09/13/606480913.db2.gz BVCYJIDUVMXCEU-UHFFFAOYSA-N -1 3 357.364 3.026 20 0 FGADHM FC(F)Oc1cc(-c2nn[n-]n2)ccc1CN1CCc2ccccc2C1 ZINC000822731337 606480914 /nfs/dbraw/zinc/48/09/14/606480914.db2.gz BVCYJIDUVMXCEU-UHFFFAOYSA-N -1 3 357.364 3.026 20 0 FGADHM C[C@@H](c1ccccc1Cl)N(C)C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820571274 606504383 /nfs/dbraw/zinc/50/43/83/606504383.db2.gz XEKNMRFFVBXFNK-LBPRGKRZSA-N -1 3 355.829 3.282 20 0 FGADHM C[C@@H](c1ccccc1Cl)N(C)C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820571274 606504385 /nfs/dbraw/zinc/50/43/85/606504385.db2.gz XEKNMRFFVBXFNK-LBPRGKRZSA-N -1 3 355.829 3.282 20 0 FGADHM C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820291987 606513984 /nfs/dbraw/zinc/51/39/84/606513984.db2.gz BQJITBYECDTEBZ-SNVBAGLBSA-N -1 3 361.858 3.285 20 0 FGADHM C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820291987 606513985 /nfs/dbraw/zinc/51/39/85/606513985.db2.gz BQJITBYECDTEBZ-SNVBAGLBSA-N -1 3 361.858 3.285 20 0 FGADHM Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)c2cc(-c3nnn[n-]3)cs2)o1 ZINC000822233944 606521530 /nfs/dbraw/zinc/52/15/30/606521530.db2.gz YFASNCFDRRLMTR-GWCFXTLKSA-N -1 3 357.439 3.443 20 0 FGADHM Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)c2cc(-c3nn[n-]n3)cs2)o1 ZINC000822233944 606521532 /nfs/dbraw/zinc/52/15/32/606521532.db2.gz YFASNCFDRRLMTR-GWCFXTLKSA-N -1 3 357.439 3.443 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C/C=C\c1cccc(F)c1 ZINC000821406418 606532593 /nfs/dbraw/zinc/53/25/93/606532593.db2.gz DJTHDRRYULOQRZ-XQRVVYSFSA-N -1 3 367.384 3.447 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C/C=C\c1cccc(F)c1 ZINC000821406418 606532595 /nfs/dbraw/zinc/53/25/95/606532595.db2.gz DJTHDRRYULOQRZ-XQRVVYSFSA-N -1 3 367.384 3.447 20 0 FGADHM C[C@@H](C(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1)C1CCCC1 ZINC000819857043 606550121 /nfs/dbraw/zinc/55/01/21/606550121.db2.gz OHZVULHEONRJQR-CQSZACIVSA-N -1 3 369.469 3.063 20 0 FGADHM O=C(NC[C@H]1CCC[C@H](C(F)(F)F)C1)c1cc(-c2nnn[n-]2)cs1 ZINC000823176383 606553286 /nfs/dbraw/zinc/55/32/86/606553286.db2.gz SJYSOTSNTVCGEX-WPRPVWTQSA-N -1 3 359.377 3.027 20 0 FGADHM O=C(NC[C@H]1CCC[C@H](C(F)(F)F)C1)c1cc(-c2nn[n-]n2)cs1 ZINC000823176383 606553288 /nfs/dbraw/zinc/55/32/88/606553288.db2.gz SJYSOTSNTVCGEX-WPRPVWTQSA-N -1 3 359.377 3.027 20 0 FGADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1OC(F)F)[C@@H]1CC12CCCC2 ZINC000823421837 606561849 /nfs/dbraw/zinc/56/18/49/606561849.db2.gz IGGONZPEAQBZJM-LBPRGKRZSA-N -1 3 364.352 3.092 20 0 FGADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1OC(F)F)[C@@H]1CC12CCCC2 ZINC000823421837 606561851 /nfs/dbraw/zinc/56/18/51/606561851.db2.gz IGGONZPEAQBZJM-LBPRGKRZSA-N -1 3 364.352 3.092 20 0 FGADHM Cc1oc(-c2ccsc2)nc1COC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000822535200 606562920 /nfs/dbraw/zinc/56/29/20/606562920.db2.gz JJCTYMGTPDCNQP-UHFFFAOYSA-N -1 3 373.419 3.310 20 0 FGADHM Cc1oc(-c2ccsc2)nc1COC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000822535200 606562922 /nfs/dbraw/zinc/56/29/22/606562922.db2.gz JJCTYMGTPDCNQP-UHFFFAOYSA-N -1 3 373.419 3.310 20 0 FGADHM C[C@@H](OC(=O)c1cc(-c2nnn[n-]2)cs1)C(=O)c1ccc(Cl)cc1 ZINC000820508828 606565297 /nfs/dbraw/zinc/56/52/97/606565297.db2.gz YNZQMAPVZIZRTI-MRVPVSSYSA-N -1 3 362.798 3.010 20 0 FGADHM C[C@@H](OC(=O)c1cc(-c2nn[n-]n2)cs1)C(=O)c1ccc(Cl)cc1 ZINC000820508828 606565299 /nfs/dbraw/zinc/56/52/99/606565299.db2.gz YNZQMAPVZIZRTI-MRVPVSSYSA-N -1 3 362.798 3.010 20 0 FGADHM Cc1ccc(-c2nc(COC(=O)c3cc(-c4nnn[n-]4)cs3)cs2)o1 ZINC000822213999 606568765 /nfs/dbraw/zinc/56/87/65/606568765.db2.gz KYNXUYLGGHOHOG-UHFFFAOYSA-N -1 3 373.419 3.310 20 0 FGADHM Cc1ccc(-c2nc(COC(=O)c3cc(-c4nn[n-]n4)cs3)cs2)o1 ZINC000822213999 606568767 /nfs/dbraw/zinc/56/87/67/606568767.db2.gz KYNXUYLGGHOHOG-UHFFFAOYSA-N -1 3 373.419 3.310 20 0 FGADHM Cc1ccc([C@@H]2CCCCN2C(=O)Cc2cccc(-c3nnn[n-]3)c2)o1 ZINC000822233607 606571583 /nfs/dbraw/zinc/57/15/83/606571583.db2.gz RWJHEAZZAIOJAZ-INIZCTEOSA-N -1 3 351.410 3.064 20 0 FGADHM Cc1ccc([C@@H]2CCCCN2C(=O)Cc2cccc(-c3nn[n-]n3)c2)o1 ZINC000822233607 606571584 /nfs/dbraw/zinc/57/15/84/606571584.db2.gz RWJHEAZZAIOJAZ-INIZCTEOSA-N -1 3 351.410 3.064 20 0 FGADHM C[C@@H](NC(=O)C/C=C\c1cccc(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820322973 606578542 /nfs/dbraw/zinc/57/85/42/606578542.db2.gz VJSNCYJMZDGYAH-ACVFHECNSA-N -1 3 351.385 3.287 20 0 FGADHM C[C@@H](NC(=O)C/C=C\c1cccc(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820322973 606578543 /nfs/dbraw/zinc/57/85/43/606578543.db2.gz VJSNCYJMZDGYAH-ACVFHECNSA-N -1 3 351.385 3.287 20 0 FGADHM CCN(CC)C(=S)SCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000821175112 606588730 /nfs/dbraw/zinc/58/87/30/606588730.db2.gz DDGKDEOULRNUEL-UHFFFAOYSA-N -1 3 373.454 3.328 20 0 FGADHM CCN(CC)C(=S)SCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000821175112 606588732 /nfs/dbraw/zinc/58/87/32/606588732.db2.gz DDGKDEOULRNUEL-UHFFFAOYSA-N -1 3 373.454 3.328 20 0 FGADHM Cc1cc2ncn(Cc3ccc(-c4nnn[n-]4)cc3OC(F)F)c2cc1C ZINC000822213037 606594774 /nfs/dbraw/zinc/59/47/74/606594774.db2.gz RMBJHWSLNJGXKS-UHFFFAOYSA-N -1 3 370.363 3.483 20 0 FGADHM Cc1cc2ncn(Cc3ccc(-c4nn[n-]n4)cc3OC(F)F)c2cc1C ZINC000822213037 606594776 /nfs/dbraw/zinc/59/47/76/606594776.db2.gz RMBJHWSLNJGXKS-UHFFFAOYSA-N -1 3 370.363 3.483 20 0 FGADHM COc1cc(C)ccc1OCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000821712355 606594894 /nfs/dbraw/zinc/59/48/94/606594894.db2.gz GFWLVBURSDEQDT-UHFFFAOYSA-N -1 3 362.336 3.364 20 0 FGADHM COc1cc(C)ccc1OCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000821712355 606594895 /nfs/dbraw/zinc/59/48/95/606594895.db2.gz GFWLVBURSDEQDT-UHFFFAOYSA-N -1 3 362.336 3.364 20 0 FGADHM Cc1ccccc1CCCSCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000822356648 606600909 /nfs/dbraw/zinc/60/09/09/606600909.db2.gz XLGBRPPBHKSWTQ-UHFFFAOYSA-N -1 3 367.478 3.480 20 0 FGADHM Cc1ccccc1CCCSCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000822356648 606600912 /nfs/dbraw/zinc/60/09/12/606600912.db2.gz XLGBRPPBHKSWTQ-UHFFFAOYSA-N -1 3 367.478 3.480 20 0 FGADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)N[C@H](C1CCCCC1)C(F)(F)F ZINC000823077801 606605749 /nfs/dbraw/zinc/60/57/49/606605749.db2.gz AWKIMLPQVIGFAP-OAHLLOKOSA-N -1 3 367.375 3.037 20 0 FGADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)N[C@H](C1CCCCC1)C(F)(F)F ZINC000823077801 606605751 /nfs/dbraw/zinc/60/57/51/606605751.db2.gz AWKIMLPQVIGFAP-OAHLLOKOSA-N -1 3 367.375 3.037 20 0 FGADHM C[C@H](O)c1cccc(OCc2ccc(-c3nnn[n-]3)cc2OC(F)F)c1 ZINC000820481346 606638453 /nfs/dbraw/zinc/63/84/53/606638453.db2.gz VDZVGKPWLYIZDE-JTQLQIEISA-N -1 3 362.336 3.100 20 0 FGADHM C[C@H](O)c1cccc(OCc2ccc(-c3nn[n-]n3)cc2OC(F)F)c1 ZINC000820481346 606638454 /nfs/dbraw/zinc/63/84/54/606638454.db2.gz VDZVGKPWLYIZDE-JTQLQIEISA-N -1 3 362.336 3.100 20 0 FGADHM Cc1cccc(Cl)c1N[C@@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O ZINC000822303785 606639130 /nfs/dbraw/zinc/63/91/30/606639130.db2.gz JCINBFHSTMQRRZ-GFCCVEGCSA-N -1 3 374.857 3.107 20 0 FGADHM Cc1cccc(Cl)c1N[C@@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O ZINC000822303785 606639131 /nfs/dbraw/zinc/63/91/31/606639131.db2.gz JCINBFHSTMQRRZ-GFCCVEGCSA-N -1 3 374.857 3.107 20 0 FGADHM O[C@H]1CCCC[C@H]1Oc1ccc(NCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000823705109 606657721 /nfs/dbraw/zinc/65/77/21/606657721.db2.gz FOEKWZWEWYTBMT-RBUKOAKNSA-N -1 3 365.437 3.161 20 0 FGADHM O[C@H]1CCCC[C@H]1Oc1ccc(NCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000823705109 606657722 /nfs/dbraw/zinc/65/77/22/606657722.db2.gz FOEKWZWEWYTBMT-RBUKOAKNSA-N -1 3 365.437 3.161 20 0 FGADHM CC(C)c1ccc(CNC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1 ZINC000820192735 606666747 /nfs/dbraw/zinc/66/67/47/606666747.db2.gz XFHUYUDYFFOAOP-UHFFFAOYSA-N -1 3 357.364 3.198 20 0 FGADHM CC(C)c1ccc(CNC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1 ZINC000820192735 606666748 /nfs/dbraw/zinc/66/67/48/606666748.db2.gz XFHUYUDYFFOAOP-UHFFFAOYSA-N -1 3 357.364 3.198 20 0 FGADHM CN(C(=O)CCCc1ccc(F)c(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000821569237 606673599 /nfs/dbraw/zinc/67/35/99/606673599.db2.gz CKARTQIJUIFLFM-UHFFFAOYSA-N -1 3 357.364 3.131 20 0 FGADHM CN(C(=O)CCCc1ccc(F)c(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000821569237 606673600 /nfs/dbraw/zinc/67/36/00/606673600.db2.gz CKARTQIJUIFLFM-UHFFFAOYSA-N -1 3 357.364 3.131 20 0 FGADHM Cc1ccc([C@@H](C)NC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1F ZINC000822229405 606679399 /nfs/dbraw/zinc/67/93/99/606679399.db2.gz UENMRZGHUJBMKC-LLVKDONJSA-N -1 3 372.379 3.014 20 0 FGADHM Cc1ccc([C@@H](C)NC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1F ZINC000822229405 606679400 /nfs/dbraw/zinc/67/94/00/606679400.db2.gz UENMRZGHUJBMKC-LLVKDONJSA-N -1 3 372.379 3.014 20 0 FGADHM CSCc1cccc(NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c1 ZINC000821971253 606679404 /nfs/dbraw/zinc/67/94/04/606679404.db2.gz ZNRSESBBIFWXAY-UHFFFAOYSA-N -1 3 361.377 3.260 20 0 FGADHM CSCc1cccc(NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c1 ZINC000821971253 606679405 /nfs/dbraw/zinc/67/94/05/606679405.db2.gz ZNRSESBBIFWXAY-UHFFFAOYSA-N -1 3 361.377 3.260 20 0 FGADHM Cc1ccc([C@H](C)NC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1F ZINC000822229406 606679489 /nfs/dbraw/zinc/67/94/89/606679489.db2.gz UENMRZGHUJBMKC-NSHDSACASA-N -1 3 372.379 3.014 20 0 FGADHM Cc1ccc([C@H](C)NC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1F ZINC000822229406 606679490 /nfs/dbraw/zinc/67/94/90/606679490.db2.gz UENMRZGHUJBMKC-NSHDSACASA-N -1 3 372.379 3.014 20 0 FGADHM CC(C)(C)[C@H]1CCCN(C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)CC1 ZINC000819907914 606679567 /nfs/dbraw/zinc/67/95/67/606679567.db2.gz SSKSQSYAPWGBGW-LBPRGKRZSA-N -1 3 363.412 3.433 20 0 FGADHM CC(C)(C)[C@H]1CCCN(C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CC1 ZINC000819907914 606679568 /nfs/dbraw/zinc/67/95/68/606679568.db2.gz SSKSQSYAPWGBGW-LBPRGKRZSA-N -1 3 363.412 3.433 20 0 FGADHM CC[C@H](Cc1ccccc1)N(C)C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820914573 606682391 /nfs/dbraw/zinc/68/23/91/606682391.db2.gz PECJKSWLYUMDGJ-CQSZACIVSA-N -1 3 371.391 3.238 20 0 FGADHM CC[C@H](Cc1ccccc1)N(C)C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820914573 606682392 /nfs/dbraw/zinc/68/23/92/606682392.db2.gz PECJKSWLYUMDGJ-CQSZACIVSA-N -1 3 371.391 3.238 20 0 FGADHM O=C(Nc1cc(Cl)c(Cl)cn1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823299119 606683517 /nfs/dbraw/zinc/68/35/17/606683517.db2.gz IOUBXIMNZFFTRG-UHFFFAOYSA-N -1 3 371.134 3.099 20 0 FGADHM O=C(Nc1cc(Cl)c(Cl)cn1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823299119 606683518 /nfs/dbraw/zinc/68/35/18/606683518.db2.gz IOUBXIMNZFFTRG-UHFFFAOYSA-N -1 3 371.134 3.099 20 0 FGADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)C1CCC(C)(C)CC1 ZINC000820519983 606690738 /nfs/dbraw/zinc/69/07/38/606690738.db2.gz YDWKGRCFWQMGLO-CYBMUJFWSA-N -1 3 357.458 3.061 20 0 FGADHM Cc1ccc([C@H](C)NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1F ZINC000822229353 606693573 /nfs/dbraw/zinc/69/35/73/606693573.db2.gz SCBAAZWZYGDZIR-VIFPVBQESA-N -1 3 361.327 3.083 20 0 FGADHM Cc1ccc([C@H](C)NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1F ZINC000822229353 606693574 /nfs/dbraw/zinc/69/35/74/606693574.db2.gz SCBAAZWZYGDZIR-VIFPVBQESA-N -1 3 361.327 3.083 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)Cc1ccc(F)c(F)c1 ZINC000821123190 606697289 /nfs/dbraw/zinc/69/72/89/606697289.db2.gz MJJVPQJRUMUXSN-UHFFFAOYSA-N -1 3 372.379 3.148 20 0 FGADHM CC[C@H](OC1CCCCC1)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820939286 606734185 /nfs/dbraw/zinc/73/41/85/606734185.db2.gz SOMRVMXDPMZXQW-GUYCJALGSA-N -1 3 357.458 3.172 20 0 FGADHM CC[C@H](OC1CCCCC1)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820939286 606734187 /nfs/dbraw/zinc/73/41/87/606734187.db2.gz SOMRVMXDPMZXQW-GUYCJALGSA-N -1 3 357.458 3.172 20 0 FGADHM Cc1nc(CC(C)C)c(NC(=O)Cc2cccc(-c3nnn[n-]3)c2)s1 ZINC000822435865 606747517 /nfs/dbraw/zinc/74/75/17/606747517.db2.gz CXLYURZWIZLERV-UHFFFAOYSA-N -1 3 356.455 3.011 20 0 FGADHM Cc1nc(CC(C)C)c(NC(=O)Cc2cccc(-c3nn[n-]n3)c2)s1 ZINC000822435865 606747519 /nfs/dbraw/zinc/74/75/19/606747519.db2.gz CXLYURZWIZLERV-UHFFFAOYSA-N -1 3 356.455 3.011 20 0 FGADHM Cc1nc(CC(C)C)c(C(=O)OCc2cccc(-c3nnn[n-]3)c2)s1 ZINC000822436664 606749254 /nfs/dbraw/zinc/74/92/54/606749254.db2.gz PFAYNKGVLFHLGR-UHFFFAOYSA-N -1 3 357.439 3.187 20 0 FGADHM Cc1nc(CC(C)C)c(C(=O)OCc2cccc(-c3nn[n-]n3)c2)s1 ZINC000822436664 606749255 /nfs/dbraw/zinc/74/92/55/606749255.db2.gz PFAYNKGVLFHLGR-UHFFFAOYSA-N -1 3 357.439 3.187 20 0 FGADHM CC(C)C[C@H](C)OCCC(=O)OCc1cn2ccccc2c1-c1nnn[n-]1 ZINC000820054516 606752847 /nfs/dbraw/zinc/75/28/47/606752847.db2.gz ACXXEMHYWCTGLR-AWEZNQCLSA-N -1 3 371.441 3.004 20 0 FGADHM CC(C)C[C@H](C)OCCC(=O)OCc1cn2ccccc2c1-c1nn[n-]n1 ZINC000820054516 606752848 /nfs/dbraw/zinc/75/28/48/606752848.db2.gz ACXXEMHYWCTGLR-AWEZNQCLSA-N -1 3 371.441 3.004 20 0 FGADHM CC(C)C[C@@H](C)OCCC(=O)OCc1cn2ccccc2c1-c1nnn[n-]1 ZINC000820054517 606753070 /nfs/dbraw/zinc/75/30/70/606753070.db2.gz ACXXEMHYWCTGLR-CQSZACIVSA-N -1 3 371.441 3.004 20 0 FGADHM CC(C)C[C@@H](C)OCCC(=O)OCc1cn2ccccc2c1-c1nn[n-]n1 ZINC000820054517 606753071 /nfs/dbraw/zinc/75/30/71/606753071.db2.gz ACXXEMHYWCTGLR-CQSZACIVSA-N -1 3 371.441 3.004 20 0 FGADHM O=C(Nc1ccccc1-c1nnn[n-]1)c1csc(-c2ccc(F)cc2)n1 ZINC000823368433 606762399 /nfs/dbraw/zinc/76/23/99/606762399.db2.gz XSOMOICOHPYIGH-UHFFFAOYSA-N -1 3 366.381 3.382 20 0 FGADHM O=C(Nc1ccccc1-c1nn[n-]n1)c1csc(-c2ccc(F)cc2)n1 ZINC000823368433 606762400 /nfs/dbraw/zinc/76/24/00/606762400.db2.gz XSOMOICOHPYIGH-UHFFFAOYSA-N -1 3 366.381 3.382 20 0 FGADHM CCOCCC1(CNC(=O)Nc2cc(-c3nnn[n-]3)ccc2C)CCCC1 ZINC000821373418 606770551 /nfs/dbraw/zinc/77/05/51/606770551.db2.gz HXTFIMMLAPPDOW-UHFFFAOYSA-N -1 3 372.473 3.284 20 0 FGADHM CCOCCC1(CNC(=O)Nc2cc(-c3nn[n-]n3)ccc2C)CCCC1 ZINC000821373418 606770552 /nfs/dbraw/zinc/77/05/52/606770552.db2.gz HXTFIMMLAPPDOW-UHFFFAOYSA-N -1 3 372.473 3.284 20 0 FGADHM Clc1ccc(-c2nnn[n-]2)c(OCc2noc(Cc3ccccc3)n2)c1 ZINC000822574643 606779526 /nfs/dbraw/zinc/77/95/26/606779526.db2.gz WZNDVNKGWLZLAZ-UHFFFAOYSA-N -1 3 368.784 3.073 20 0 FGADHM Clc1ccc(-c2nn[n-]n2)c(OCc2noc(Cc3ccccc3)n2)c1 ZINC000822574643 606779527 /nfs/dbraw/zinc/77/95/27/606779527.db2.gz WZNDVNKGWLZLAZ-UHFFFAOYSA-N -1 3 368.784 3.073 20 0 FGADHM O=C(COc1cc(Cl)ccc1-c1nnn[n-]1)Nc1ccccc1Cl ZINC000823031452 606781838 /nfs/dbraw/zinc/78/18/38/606781838.db2.gz BFUDVEMKFJDSLM-UHFFFAOYSA-N -1 3 364.192 3.191 20 0 FGADHM O=C(COc1cc(Cl)ccc1-c1nn[n-]n1)Nc1ccccc1Cl ZINC000823031452 606781839 /nfs/dbraw/zinc/78/18/39/606781839.db2.gz BFUDVEMKFJDSLM-UHFFFAOYSA-N -1 3 364.192 3.191 20 0 FGADHM C[C@@H](Sc1ncc(C(C)(C)C)o1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000820554982 606786595 /nfs/dbraw/zinc/78/65/95/606786595.db2.gz CVIAQJZBHKIHAG-SNVBAGLBSA-N -1 3 372.454 3.272 20 0 FGADHM C[C@@H](Sc1ncc(C(C)(C)C)o1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000820554982 606786597 /nfs/dbraw/zinc/78/65/97/606786597.db2.gz CVIAQJZBHKIHAG-SNVBAGLBSA-N -1 3 372.454 3.272 20 0 FGADHM O=C(Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1)[C@H]1CCSC1 ZINC000823356526 606800313 /nfs/dbraw/zinc/80/03/13/606800313.db2.gz OFXHARVDMRJAPZ-LBPRGKRZSA-N -1 3 367.434 3.351 20 0 FGADHM O=C(Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1)[C@H]1CCSC1 ZINC000823356526 606800314 /nfs/dbraw/zinc/80/03/14/606800314.db2.gz OFXHARVDMRJAPZ-LBPRGKRZSA-N -1 3 367.434 3.351 20 0 FGADHM CC[C@H](C)Oc1cc(C)ccc1CNc1nnc(C)c(C)c1-c1nnn[n-]1 ZINC000820876937 606801151 /nfs/dbraw/zinc/80/11/51/606801151.db2.gz WVKJHODTLSEHCQ-LBPRGKRZSA-N -1 3 367.457 3.371 20 0 FGADHM CC[C@H](C)Oc1cc(C)ccc1CNc1nnc(C)c(C)c1-c1nn[n-]n1 ZINC000820876937 606801153 /nfs/dbraw/zinc/80/11/53/606801153.db2.gz WVKJHODTLSEHCQ-LBPRGKRZSA-N -1 3 367.457 3.371 20 0 FGADHM Cc1ccc(C)c([C@@H]2CCCN2C(=O)Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822230362 606807556 /nfs/dbraw/zinc/80/75/56/606807556.db2.gz DNEBNLYSQNWGSD-IBGZPJMESA-N -1 3 361.449 3.390 20 0 FGADHM Cc1ccc(C)c([C@@H]2CCCN2C(=O)Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822230362 606807558 /nfs/dbraw/zinc/80/75/58/606807558.db2.gz DNEBNLYSQNWGSD-IBGZPJMESA-N -1 3 361.449 3.390 20 0 FGADHM COc1ccccc1N1CC[C@H](Nc2cc(Cl)ccc2-c2nnn[n-]2)C1 ZINC000821898539 606809310 /nfs/dbraw/zinc/80/93/10/606809310.db2.gz PWZGWRRNPKORAN-ZDUSSCGKSA-N -1 3 370.844 3.220 20 0 FGADHM COc1ccccc1N1CC[C@H](Nc2cc(Cl)ccc2-c2nn[n-]n2)C1 ZINC000821898539 606809311 /nfs/dbraw/zinc/80/93/11/606809311.db2.gz PWZGWRRNPKORAN-ZDUSSCGKSA-N -1 3 370.844 3.220 20 0 FGADHM CCOc1cc(C)ccc1CNC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000821394136 606836351 /nfs/dbraw/zinc/83/63/51/606836351.db2.gz HRVPOSMFNGPLTK-UHFFFAOYSA-N -1 3 370.388 3.035 20 0 FGADHM CCOc1cc(C)ccc1CNC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000821394136 606836352 /nfs/dbraw/zinc/83/63/52/606836352.db2.gz HRVPOSMFNGPLTK-UHFFFAOYSA-N -1 3 370.388 3.035 20 0 FGADHM c1cc(OCCCSc2nnc(C3CC3)s2)cc(-c2nnn[n-]2)c1 ZINC000823762156 606837183 /nfs/dbraw/zinc/83/71/83/606837183.db2.gz KORLMVGUWYIPNX-UHFFFAOYSA-N -1 3 360.468 3.157 20 0 FGADHM c1cc(OCCCSc2nnc(C3CC3)s2)cc(-c2nn[n-]n2)c1 ZINC000823762156 606837184 /nfs/dbraw/zinc/83/71/84/606837184.db2.gz KORLMVGUWYIPNX-UHFFFAOYSA-N -1 3 360.468 3.157 20 0 FGADHM CC[C@@H]1CC[C@@H](C(=O)Nc2sc(-c3ccccc3)cc2-c2nnn[n-]2)O1 ZINC000820973211 606848056 /nfs/dbraw/zinc/84/80/56/606848056.db2.gz VBIMQDKVPBPTBD-OCCSQVGLSA-N -1 3 369.450 3.491 20 0 FGADHM CC[C@@H]1CC[C@@H](C(=O)Nc2sc(-c3ccccc3)cc2-c2nn[n-]n2)O1 ZINC000820973211 606848057 /nfs/dbraw/zinc/84/80/57/606848057.db2.gz VBIMQDKVPBPTBD-OCCSQVGLSA-N -1 3 369.450 3.491 20 0 FGADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C1(Cc2ccccc2)CCC1 ZINC000821608746 606861160 /nfs/dbraw/zinc/86/11/60/606861160.db2.gz SSTXCNLAPBNVKC-UHFFFAOYSA-N -1 3 361.449 3.238 20 0 FGADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C1(Cc2ccccc2)CCC1 ZINC000821608746 606861162 /nfs/dbraw/zinc/86/11/62/606861162.db2.gz SSTXCNLAPBNVKC-UHFFFAOYSA-N -1 3 361.449 3.238 20 0 FGADHM CCc1noc(C)c1CSc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC000821554630 606872819 /nfs/dbraw/zinc/87/28/19/606872819.db2.gz PLLSRKKOECWSBI-UHFFFAOYSA-N -1 3 356.455 3.292 20 0 FGADHM CCc1noc(C)c1CSc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC000821554630 606872820 /nfs/dbraw/zinc/87/28/20/606872820.db2.gz PLLSRKKOECWSBI-UHFFFAOYSA-N -1 3 356.455 3.292 20 0 FGADHM FC(F)(F)c1ccc(NCc2cn3c(n2)CCCC3)c(-c2nnn[n-]2)c1 ZINC000822729276 606931644 /nfs/dbraw/zinc/93/16/44/606931644.db2.gz ZPPSRPDLBPUPQH-UHFFFAOYSA-N -1 3 363.347 3.030 20 0 FGADHM FC(F)(F)c1ccc(NCc2cn3c(n2)CCCC3)c(-c2nn[n-]n2)c1 ZINC000822729276 606931646 /nfs/dbraw/zinc/93/16/46/606931646.db2.gz ZPPSRPDLBPUPQH-UHFFFAOYSA-N -1 3 363.347 3.030 20 0 FGADHM CCc1nnc(NC[C@H]2CCCO[C@@H]2C(C)(C)C)c(-c2nnn[n-]2)c1CC ZINC000821534656 606937074 /nfs/dbraw/zinc/93/70/74/606937074.db2.gz BPZHMUFYQVKAHU-WBMJQRKESA-N -1 3 373.505 3.035 20 0 FGADHM CCc1nnc(NC[C@H]2CCCO[C@@H]2C(C)(C)C)c(-c2nn[n-]n2)c1CC ZINC000821534656 606937075 /nfs/dbraw/zinc/93/70/75/606937075.db2.gz BPZHMUFYQVKAHU-WBMJQRKESA-N -1 3 373.505 3.035 20 0 FGADHM CCc1nc2c(s1)[C@H](N(C)C(=O)c1ccc(-c3nnn[n-]3)cc1)CCC2 ZINC000821510139 606938620 /nfs/dbraw/zinc/93/86/20/606938620.db2.gz XPFQXAXDHPURPM-CQSZACIVSA-N -1 3 368.466 3.035 20 0 FGADHM CCc1nc2c(s1)[C@H](N(C)C(=O)c1ccc(-c3nn[n-]n3)cc1)CCC2 ZINC000821510139 606938622 /nfs/dbraw/zinc/93/86/22/606938622.db2.gz XPFQXAXDHPURPM-CQSZACIVSA-N -1 3 368.466 3.035 20 0 FGADHM Cc1nc(-c2cccnc2)nc(Sc2cccc(-c3nnn[n-]3)c2)c1C ZINC000822422927 606945049 /nfs/dbraw/zinc/94/50/49/606945049.db2.gz GCANHNMNLMBAQJ-UHFFFAOYSA-N -1 3 361.434 3.487 20 0 FGADHM Cc1nc(-c2cccnc2)nc(Sc2cccc(-c3nn[n-]n3)c2)c1C ZINC000822422927 606945050 /nfs/dbraw/zinc/94/50/50/606945050.db2.gz GCANHNMNLMBAQJ-UHFFFAOYSA-N -1 3 361.434 3.487 20 0 FGADHM Cc1cccc(CC2CN(c3nc(C(F)(F)F)ccc3-c3nnn[n-]3)C2)c1 ZINC000822299614 606945126 /nfs/dbraw/zinc/94/51/26/606945126.db2.gz OZFXGDHEZHKPEQ-UHFFFAOYSA-N -1 3 374.370 3.268 20 0 FGADHM Cc1cccc(CC2CN(c3nc(C(F)(F)F)ccc3-c3nn[n-]n3)C2)c1 ZINC000822299614 606945128 /nfs/dbraw/zinc/94/51/28/606945128.db2.gz OZFXGDHEZHKPEQ-UHFFFAOYSA-N -1 3 374.370 3.268 20 0 FGADHM Clc1ccccc1CC1CN(c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC000822586425 606947353 /nfs/dbraw/zinc/94/73/53/606947353.db2.gz YFATYYWWOAGOTE-UHFFFAOYSA-N -1 3 361.236 3.247 20 0 FGADHM Clc1ccccc1CC1CN(c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC000822586425 606947355 /nfs/dbraw/zinc/94/73/55/606947355.db2.gz YFATYYWWOAGOTE-UHFFFAOYSA-N -1 3 361.236 3.247 20 0 FGADHM C[C@H]1c2cc(F)cc(F)c2CCN1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000820821273 606950074 /nfs/dbraw/zinc/95/00/74/606950074.db2.gz SAJQWXPAKLVSDO-JTQLQIEISA-N -1 3 370.363 3.296 20 0 FGADHM C[C@H]1c2cc(F)cc(F)c2CCN1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000820821273 606950076 /nfs/dbraw/zinc/95/00/76/606950076.db2.gz SAJQWXPAKLVSDO-JTQLQIEISA-N -1 3 370.363 3.296 20 0 FGADHM CC(C)COc1ccc([C@H](C)NC(=O)c2sccc2-c2nnn[n-]2)cc1 ZINC000820103411 606957348 /nfs/dbraw/zinc/95/73/48/606957348.db2.gz YHEJNTGTQZEXRA-LBPRGKRZSA-N -1 3 371.466 3.454 20 0 FGADHM CC(C)COc1ccc([C@H](C)NC(=O)c2sccc2-c2nn[n-]n2)cc1 ZINC000820103411 606957349 /nfs/dbraw/zinc/95/73/49/606957349.db2.gz YHEJNTGTQZEXRA-LBPRGKRZSA-N -1 3 371.466 3.454 20 0 FGADHM COc1ccc([C@H](C)C(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)cc1 ZINC000821777578 606961320 /nfs/dbraw/zinc/96/13/20/606961320.db2.gz IJRWZNAOKFNVJR-NSHDSACASA-N -1 3 371.828 3.295 20 0 FGADHM COc1ccc([C@H](C)C(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)cc1 ZINC000821777578 606961322 /nfs/dbraw/zinc/96/13/22/606961322.db2.gz IJRWZNAOKFNVJR-NSHDSACASA-N -1 3 371.828 3.295 20 0 FGADHM Cc1cc(-c2noc(COc3ccc(-c4nnn[n-]4)c(F)c3)n2)ccc1F ZINC000822154362 606981168 /nfs/dbraw/zinc/98/11/68/606981168.db2.gz VLPGRRCVNWFYMC-UHFFFAOYSA-N -1 3 370.319 3.082 20 0 FGADHM Cc1cc(-c2noc(COc3ccc(-c4nn[n-]n4)c(F)c3)n2)ccc1F ZINC000822154362 606981170 /nfs/dbraw/zinc/98/11/70/606981170.db2.gz VLPGRRCVNWFYMC-UHFFFAOYSA-N -1 3 370.319 3.082 20 0 FGADHM CCC[C@@H](NC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1F ZINC000821023375 606982487 /nfs/dbraw/zinc/98/24/87/606982487.db2.gz YSONXLYOLMSKAM-MRXNPFEDSA-N -1 3 357.364 3.416 20 0 FGADHM CCC[C@@H](NC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1F ZINC000821023375 606982489 /nfs/dbraw/zinc/98/24/89/606982489.db2.gz YSONXLYOLMSKAM-MRXNPFEDSA-N -1 3 357.364 3.416 20 0 FGADHM CCOc1ccc(OC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821426415 606985357 /nfs/dbraw/zinc/98/53/57/606985357.db2.gz FGLCGRSPUBGACI-UHFFFAOYSA-N -1 3 368.393 3.028 20 0 FGADHM CCOc1ccc(OC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821426415 606985358 /nfs/dbraw/zinc/98/53/58/606985358.db2.gz FGLCGRSPUBGACI-UHFFFAOYSA-N -1 3 368.393 3.028 20 0 FGADHM O=C(CCn1ccc2ccccc21)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822986352 606992810 /nfs/dbraw/zinc/99/28/10/606992810.db2.gz DTTXIDDCQPCVEM-UHFFFAOYSA-N -1 3 365.368 3.094 20 0 FGADHM O=C(CCn1ccc2ccccc21)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822986352 606992812 /nfs/dbraw/zinc/99/28/12/606992812.db2.gz DTTXIDDCQPCVEM-UHFFFAOYSA-N -1 3 365.368 3.094 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)c1cc(-c2ccccc2)no1 ZINC000823421902 606996327 /nfs/dbraw/zinc/99/63/27/606996327.db2.gz JWMTWPYCWWGLTL-UHFFFAOYSA-N -1 3 365.324 3.018 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)c1cc(-c2ccccc2)no1 ZINC000823421902 606996328 /nfs/dbraw/zinc/99/63/28/606996328.db2.gz JWMTWPYCWWGLTL-UHFFFAOYSA-N -1 3 365.324 3.018 20 0 FGADHM Cc1ccccc1C1(C(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000822352017 606999049 /nfs/dbraw/zinc/99/90/49/606999049.db2.gz UEDJLCYWMRILBE-UHFFFAOYSA-N -1 3 352.369 3.089 20 0 FGADHM Cc1ccccc1C1(C(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000822352017 606999050 /nfs/dbraw/zinc/99/90/50/606999050.db2.gz UEDJLCYWMRILBE-UHFFFAOYSA-N -1 3 352.369 3.089 20 0 FGADHM CCSc1nnc(SCc2ccc(F)c(-c3nnn[n-]3)c2)s1 ZINC000821460699 607004761 /nfs/dbraw/zinc/00/47/61/607004761.db2.gz ALKWEZMOSKSHQZ-UHFFFAOYSA-N -1 3 354.461 3.262 20 0 FGADHM CCSc1nnc(SCc2ccc(F)c(-c3nn[n-]n3)c2)s1 ZINC000821460699 607004763 /nfs/dbraw/zinc/00/47/63/607004763.db2.gz ALKWEZMOSKSHQZ-UHFFFAOYSA-N -1 3 354.461 3.262 20 0 FGADHM Fc1ccc(Cn2c3ccccc3nc2C(F)(F)F)cc1-c1nnn[n-]1 ZINC000822774480 607009427 /nfs/dbraw/zinc/00/94/27/607009427.db2.gz JYKAKOGSMCTNEE-UHFFFAOYSA-N -1 3 362.290 3.423 20 0 FGADHM Fc1ccc(Cn2c3ccccc3nc2C(F)(F)F)cc1-c1nn[n-]n1 ZINC000822774480 607009428 /nfs/dbraw/zinc/00/94/28/607009428.db2.gz JYKAKOGSMCTNEE-UHFFFAOYSA-N -1 3 362.290 3.423 20 0 FGADHM O=C(CSc1cccc(-c2nnn[n-]2)c1)c1cnn(-c2ccccc2)c1 ZINC000823070495 607012789 /nfs/dbraw/zinc/01/27/89/607012789.db2.gz AVYMJRFMHJKRFC-UHFFFAOYSA-N -1 3 362.418 3.027 20 0 FGADHM O=C(CSc1cccc(-c2nn[n-]n2)c1)c1cnn(-c2ccccc2)c1 ZINC000823070495 607012790 /nfs/dbraw/zinc/01/27/90/607012790.db2.gz AVYMJRFMHJKRFC-UHFFFAOYSA-N -1 3 362.418 3.027 20 0 FGADHM CCCC1(C(=O)NCCSCc2ccccc2-c2nnn[n-]2)CCC1 ZINC000821028732 607023727 /nfs/dbraw/zinc/02/37/27/607023727.db2.gz YNCGKIBUMYOUNM-UHFFFAOYSA-N -1 3 359.499 3.187 20 0 FGADHM CCCC1(C(=O)NCCSCc2ccccc2-c2nn[n-]n2)CCC1 ZINC000821028732 607023730 /nfs/dbraw/zinc/02/37/30/607023730.db2.gz YNCGKIBUMYOUNM-UHFFFAOYSA-N -1 3 359.499 3.187 20 0 FGADHM Fc1ccc(-c2nnn[n-]2)c(CSCc2cccc3c2OCCO3)c1 ZINC000822758572 607035775 /nfs/dbraw/zinc/03/57/75/607035775.db2.gz SDAZSBBVJOOSIG-UHFFFAOYSA-N -1 3 358.398 3.210 20 0 FGADHM Fc1ccc(-c2nn[n-]n2)c(CSCc2cccc3c2OCCO3)c1 ZINC000822758572 607035776 /nfs/dbraw/zinc/03/57/76/607035776.db2.gz SDAZSBBVJOOSIG-UHFFFAOYSA-N -1 3 358.398 3.210 20 0 FGADHM Fc1cc(F)c2c(c1)CN(c1c(-c3nnn[n-]3)cnc3ccccc31)CC2 ZINC000822753297 607040816 /nfs/dbraw/zinc/04/08/16/607040816.db2.gz MCFNOVYTOGPNLE-UHFFFAOYSA-N -1 3 364.359 3.256 20 0 FGADHM Fc1cc(F)c2c(c1)CN(c1c(-c3nn[n-]n3)cnc3ccccc31)CC2 ZINC000822753297 607040817 /nfs/dbraw/zinc/04/08/17/607040817.db2.gz MCFNOVYTOGPNLE-UHFFFAOYSA-N -1 3 364.359 3.256 20 0 FGADHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H]1C[C@H]1C1CCCCC1 ZINC000819997403 607044119 /nfs/dbraw/zinc/04/41/19/607044119.db2.gz VBELDGKVTJKUKX-DLBZAZTESA-N -1 3 369.469 3.109 20 0 FGADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1C[C@H]1C1CCCCC1 ZINC000819997403 607044121 /nfs/dbraw/zinc/04/41/21/607044121.db2.gz VBELDGKVTJKUKX-DLBZAZTESA-N -1 3 369.469 3.109 20 0 FGADHM CC(C)CO[C@@H]1CCN(c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C1 ZINC000820097285 607044460 /nfs/dbraw/zinc/04/44/60/607044460.db2.gz MCJXLLGEOICJHO-GFCCVEGCSA-N -1 3 355.364 3.137 20 0 FGADHM CC(C)CO[C@@H]1CCN(c2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C1 ZINC000820097285 607044462 /nfs/dbraw/zinc/04/44/62/607044462.db2.gz MCJXLLGEOICJHO-GFCCVEGCSA-N -1 3 355.364 3.137 20 0 FGADHM C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)N1Cc1cc(F)ccc1-c1nn[n-]n1 ZINC000820804355 607065206 /nfs/dbraw/zinc/06/52/06/607065206.db2.gz REGHMTQRKHPNPF-TYILLQQXSA-N -1 3 367.428 3.356 20 0 FGADHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)C1(c2ccccc2)CCC1 ZINC000823413607 607074538 /nfs/dbraw/zinc/07/45/38/607074538.db2.gz KZBDJSDQXPOEON-UHFFFAOYSA-N -1 3 352.369 3.171 20 0 FGADHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)C1(c2ccccc2)CCC1 ZINC000823413607 607074539 /nfs/dbraw/zinc/07/45/39/607074539.db2.gz KZBDJSDQXPOEON-UHFFFAOYSA-N -1 3 352.369 3.171 20 0 FGADHM Cc1cc(C)cc(OC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822197944 607079844 /nfs/dbraw/zinc/07/98/44/607079844.db2.gz VSRMGAPOLPGAIU-UHFFFAOYSA-N -1 3 352.394 3.247 20 0 FGADHM Cc1cc(C)cc(OC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822197944 607079846 /nfs/dbraw/zinc/07/98/46/607079846.db2.gz VSRMGAPOLPGAIU-UHFFFAOYSA-N -1 3 352.394 3.247 20 0 FGADHM C[C@@H](Cc1ccccc1F)C(=O)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000820299792 607083661 /nfs/dbraw/zinc/08/36/61/607083661.db2.gz KLGDHYCHSUOGOW-NSHDSACASA-N -1 3 358.348 3.067 20 0 FGADHM C[C@@H](Cc1ccccc1F)C(=O)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000820299792 607083663 /nfs/dbraw/zinc/08/36/63/607083663.db2.gz KLGDHYCHSUOGOW-NSHDSACASA-N -1 3 358.348 3.067 20 0 FGADHM CC(C)(C(=O)OCc1cc(F)ccc1-c1nnn[n-]1)c1cccc(F)c1 ZINC000819891839 607084002 /nfs/dbraw/zinc/08/40/02/607084002.db2.gz HYYXQVWGQXZMEF-UHFFFAOYSA-N -1 3 358.348 3.166 20 0 FGADHM CC(C)(C(=O)OCc1cc(F)ccc1-c1nn[n-]n1)c1cccc(F)c1 ZINC000819891839 607084004 /nfs/dbraw/zinc/08/40/04/607084004.db2.gz HYYXQVWGQXZMEF-UHFFFAOYSA-N -1 3 358.348 3.166 20 0 FGADHM O=C(C/C=C\c1cccc(F)c1)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000822945716 607086210 /nfs/dbraw/zinc/08/62/10/607086210.db2.gz OPMSHSXMUBNZEA-RQOWECAXSA-N -1 3 356.332 3.292 20 0 FGADHM O=C(C/C=C\c1cccc(F)c1)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000822945716 607086212 /nfs/dbraw/zinc/08/62/12/607086212.db2.gz OPMSHSXMUBNZEA-RQOWECAXSA-N -1 3 356.332 3.292 20 0 FGADHM CC1(C)Cc2cc(NC(=O)CCc3ccc(-c4nnn[n-]4)cc3)ccc2O1 ZINC000820607305 607091745 /nfs/dbraw/zinc/09/17/45/607091745.db2.gz PQKSGOYPPMIRAL-UHFFFAOYSA-N -1 3 363.421 3.152 20 0 FGADHM CC1(C)Cc2cc(NC(=O)CCc3ccc(-c4nn[n-]n4)cc3)ccc2O1 ZINC000820607305 607091746 /nfs/dbraw/zinc/09/17/46/607091746.db2.gz PQKSGOYPPMIRAL-UHFFFAOYSA-N -1 3 363.421 3.152 20 0 FGADHM CC1(C)Cc2cc(NC(=O)c3c(F)cc(-c4nnn[n-]4)cc3F)ccc2O1 ZINC000820607545 607091775 /nfs/dbraw/zinc/09/17/75/607091775.db2.gz VEJOPLLLNSYELK-UHFFFAOYSA-N -1 3 371.347 3.111 20 0 FGADHM CC1(C)Cc2cc(NC(=O)c3c(F)cc(-c4nn[n-]n4)cc3F)ccc2O1 ZINC000820607545 607091776 /nfs/dbraw/zinc/09/17/76/607091776.db2.gz VEJOPLLLNSYELK-UHFFFAOYSA-N -1 3 371.347 3.111 20 0 FGADHM C[C@@H](NCc1nnc(-c2ccccc2)s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820438642 607112342 /nfs/dbraw/zinc/11/23/42/607112342.db2.gz UAGZXTWCSCZNPP-GFCCVEGCSA-N -1 3 363.450 3.236 20 0 FGADHM C[C@H]1CN(Cc2ccc(F)cc2-c2nnn[n-]2)C[C@@H](c2ccsc2)O1 ZINC000820759393 607122551 /nfs/dbraw/zinc/12/25/51/607122551.db2.gz KTSCYYPRIIKEOB-ZBEGNZNMSA-N -1 3 359.430 3.029 20 0 FGADHM C[C@H]1CN(Cc2ccc(F)cc2-c2nn[n-]n2)C[C@@H](c2ccsc2)O1 ZINC000820759393 607122553 /nfs/dbraw/zinc/12/25/53/607122553.db2.gz KTSCYYPRIIKEOB-ZBEGNZNMSA-N -1 3 359.430 3.029 20 0 FGADHM C[C@@H]1CN(Cc2ccc(F)cc2-c2nnn[n-]2)C[C@@H](c2ccsc2)O1 ZINC000820759391 607122708 /nfs/dbraw/zinc/12/27/08/607122708.db2.gz KTSCYYPRIIKEOB-BZNIZROVSA-N -1 3 359.430 3.029 20 0 FGADHM C[C@@H]1CN(Cc2ccc(F)cc2-c2nn[n-]n2)C[C@@H](c2ccsc2)O1 ZINC000820759391 607122709 /nfs/dbraw/zinc/12/27/09/607122709.db2.gz KTSCYYPRIIKEOB-BZNIZROVSA-N -1 3 359.430 3.029 20 0 FGADHM Clc1ccc2ncc(-c3nnn[n-]3)c(N[C@H]3CCOC4(CCC4)C3)c2c1 ZINC000822582521 607132837 /nfs/dbraw/zinc/13/28/37/607132837.db2.gz VRLVPTHYUPUVKI-LBPRGKRZSA-N -1 3 370.844 3.004 20 0 FGADHM Clc1ccc2ncc(-c3nn[n-]n3)c(N[C@H]3CCOC4(CCC4)C3)c2c1 ZINC000822582521 607132839 /nfs/dbraw/zinc/13/28/39/607132839.db2.gz VRLVPTHYUPUVKI-LBPRGKRZSA-N -1 3 370.844 3.004 20 0 FGADHM CSc1ccccc1NC(=O)[C@H](C)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000821984353 607136557 /nfs/dbraw/zinc/13/65/57/607136557.db2.gz NUXNIHOGMWJAJT-JTQLQIEISA-N -1 3 373.413 3.134 20 0 FGADHM CSc1ccccc1NC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000821984353 607136559 /nfs/dbraw/zinc/13/65/59/607136559.db2.gz NUXNIHOGMWJAJT-JTQLQIEISA-N -1 3 373.413 3.134 20 0 FGADHM CCO[C@H](CC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C)C(C)C ZINC000821350806 607153636 /nfs/dbraw/zinc/15/36/36/607153636.db2.gz DTEVKBWOIOVBIW-GOSISDBHSA-N -1 3 373.501 3.303 20 0 FGADHM CCO[C@H](CC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C)C(C)C ZINC000821350806 607153637 /nfs/dbraw/zinc/15/36/37/607153637.db2.gz DTEVKBWOIOVBIW-GOSISDBHSA-N -1 3 373.501 3.303 20 0 FGADHM Fc1cccc(-c2nnc(CNc3ccc(Cl)c(-c4nnn[n-]4)c3)o2)c1 ZINC000822786803 607166074 /nfs/dbraw/zinc/16/60/74/607166074.db2.gz QENFCFLJWSWSJH-UHFFFAOYSA-N -1 3 371.763 3.321 20 0 FGADHM Fc1cccc(-c2nnc(CNc3ccc(Cl)c(-c4nn[n-]n4)c3)o2)c1 ZINC000822786803 607166075 /nfs/dbraw/zinc/16/60/75/607166075.db2.gz QENFCFLJWSWSJH-UHFFFAOYSA-N -1 3 371.763 3.321 20 0 FGADHM C[C@H](Nc1ccc(C(F)(F)F)cc1-c1nnn[n-]1)c1nnc2ccccn21 ZINC000820456026 607172927 /nfs/dbraw/zinc/17/29/27/607172927.db2.gz PCTYFILVKFRUCD-VIFPVBQESA-N -1 3 374.330 3.101 20 0 FGADHM C[C@H](Nc1ccc(C(F)(F)F)cc1-c1nn[n-]n1)c1nnc2ccccn21 ZINC000820456026 607172928 /nfs/dbraw/zinc/17/29/28/607172928.db2.gz PCTYFILVKFRUCD-VIFPVBQESA-N -1 3 374.330 3.101 20 0 FGADHM Cc1cccc2c1ncnc2N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000822331297 607173138 /nfs/dbraw/zinc/17/31/38/607173138.db2.gz CEFMCTUOSYXZQZ-UHFFFAOYSA-N -1 3 357.421 3.287 20 0 FGADHM Cc1cccc2c1ncnc2N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000822331297 607173139 /nfs/dbraw/zinc/17/31/39/607173139.db2.gz CEFMCTUOSYXZQZ-UHFFFAOYSA-N -1 3 357.421 3.287 20 0 FGADHM Cc1nn(C)c2sc(C(=O)Nc3ccc(-c4nn[n-]n4)cc3Cl)cc12 ZINC000822496185 607189332 /nfs/dbraw/zinc/18/93/32/607189332.db2.gz DOLLKWCUGBGUBI-UHFFFAOYSA-N -1 3 373.829 3.029 20 0 FGADHM O=C(C[C@H]1OCCc2ccccc21)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000822945695 607190034 /nfs/dbraw/zinc/19/00/34/607190034.db2.gz NZBZXGQEJZGGDX-MRXNPFEDSA-N -1 3 369.812 3.163 20 0 FGADHM O=C(C[C@H]1OCCc2ccccc21)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822945695 607190035 /nfs/dbraw/zinc/19/00/35/607190035.db2.gz NZBZXGQEJZGGDX-MRXNPFEDSA-N -1 3 369.812 3.163 20 0 FGADHM Cc1ccc2c(CC(=O)Nc3ccc(-c4nnn[n-]4)cc3Cl)c[nH]c2c1 ZINC000822275228 607191039 /nfs/dbraw/zinc/19/10/39/607191039.db2.gz QKYFPUFKZMOEBY-UHFFFAOYSA-N -1 3 366.812 3.491 20 0 FGADHM Cc1ccc2c(CC(=O)Nc3ccc(-c4nn[n-]n4)cc3Cl)c[nH]c2c1 ZINC000822275228 607191040 /nfs/dbraw/zinc/19/10/40/607191040.db2.gz QKYFPUFKZMOEBY-UHFFFAOYSA-N -1 3 366.812 3.491 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000823319626 607196032 /nfs/dbraw/zinc/19/60/32/607196032.db2.gz WGOBQFRGTRZFHU-SWLSCSKDSA-N -1 3 372.791 3.337 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000823319626 607196033 /nfs/dbraw/zinc/19/60/33/607196033.db2.gz WGOBQFRGTRZFHU-SWLSCSKDSA-N -1 3 372.791 3.337 20 0 FGADHM CCC(CC)N(CCOC)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820897516 607199036 /nfs/dbraw/zinc/19/90/36/607199036.db2.gz ICCULDFGIQBSLX-UHFFFAOYSA-N -1 3 366.853 3.189 20 0 FGADHM CCC(CC)N(CCOC)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820897516 607199037 /nfs/dbraw/zinc/19/90/37/607199037.db2.gz ICCULDFGIQBSLX-UHFFFAOYSA-N -1 3 366.853 3.189 20 0 FGADHM Cc1noc(C)c1[C@@H](C)NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000822519152 607203736 /nfs/dbraw/zinc/20/37/36/607203736.db2.gz AGIJKPWHIYGGNF-SSDOTTSWSA-N -1 3 361.793 3.008 20 0 FGADHM Cc1noc(C)c1[C@@H](C)NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822519152 607203737 /nfs/dbraw/zinc/20/37/37/607203737.db2.gz AGIJKPWHIYGGNF-SSDOTTSWSA-N -1 3 361.793 3.008 20 0 FGADHM CCCCC[C@@H]1CCCN1C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000821050085 607206425 /nfs/dbraw/zinc/20/64/25/607206425.db2.gz PIQDFDJOEWNBFR-OAHLLOKOSA-N -1 3 360.437 3.260 20 0 FGADHM CCCCC[C@@H]1CCCN1C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000821050085 607206426 /nfs/dbraw/zinc/20/64/26/607206426.db2.gz PIQDFDJOEWNBFR-OAHLLOKOSA-N -1 3 360.437 3.260 20 0 FGADHM CC1(C)CN(C(=O)CCc2ccc(-c3nnn[n-]3)cc2)c2ccccc2O1 ZINC000820602005 607224728 /nfs/dbraw/zinc/22/47/28/607224728.db2.gz XWKXIFHGSSCNGA-UHFFFAOYSA-N -1 3 363.421 3.004 20 0 FGADHM CC1(C)CN(C(=O)CCc2ccc(-c3nn[n-]n3)cc2)c2ccccc2O1 ZINC000820602005 607224729 /nfs/dbraw/zinc/22/47/29/607224729.db2.gz XWKXIFHGSSCNGA-UHFFFAOYSA-N -1 3 363.421 3.004 20 0 FGADHM Cc1nc(CCNc2cc(-c3nnn[n-]3)ccc2C(F)(F)F)cs1 ZINC000822441117 607227569 /nfs/dbraw/zinc/22/75/69/607227569.db2.gz UHPLSZKBEBTBSO-UHFFFAOYSA-N -1 3 354.361 3.305 20 0 FGADHM Cc1nc(CCNc2cc(-c3nn[n-]n3)ccc2C(F)(F)F)cs1 ZINC000822441117 607227570 /nfs/dbraw/zinc/22/75/70/607227570.db2.gz UHPLSZKBEBTBSO-UHFFFAOYSA-N -1 3 354.361 3.305 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)c1cc(C)c(C)o1 ZINC000821389135 607235494 /nfs/dbraw/zinc/23/54/94/607235494.db2.gz GKYIYEDTABOPOG-UHFFFAOYSA-N -1 3 362.773 3.348 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)c1cc(C)c(C)o1 ZINC000821389135 607235495 /nfs/dbraw/zinc/23/54/95/607235495.db2.gz GKYIYEDTABOPOG-UHFFFAOYSA-N -1 3 362.773 3.348 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)C1(Cc2ccccc2)CC1 ZINC000823313891 607242769 /nfs/dbraw/zinc/24/27/69/607242769.db2.gz LFQSFAVCSIMGKX-UHFFFAOYSA-N -1 3 353.813 3.482 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)C1(Cc2ccccc2)CC1 ZINC000823313891 607242770 /nfs/dbraw/zinc/24/27/70/607242770.db2.gz LFQSFAVCSIMGKX-UHFFFAOYSA-N -1 3 353.813 3.482 20 0 FGADHM Cn1cc(C(=O)Oc2ccc(-c3nnn[n-]3)cc2F)c(C2CCCCC2)n1 ZINC000822669787 607248825 /nfs/dbraw/zinc/24/88/25/607248825.db2.gz POFGNPYFVGLNAD-UHFFFAOYSA-N -1 3 370.388 3.006 20 0 FGADHM Cn1cc(C(=O)Oc2ccc(-c3nn[n-]n3)cc2F)c(C2CCCCC2)n1 ZINC000822669787 607248826 /nfs/dbraw/zinc/24/88/26/607248826.db2.gz POFGNPYFVGLNAD-UHFFFAOYSA-N -1 3 370.388 3.006 20 0 FGADHM CCOc1ccc(SCC(=O)Oc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000821427618 607249519 /nfs/dbraw/zinc/24/95/19/607249519.db2.gz XHCHOFOIRUFRPR-UHFFFAOYSA-N -1 3 374.397 3.102 20 0 FGADHM CCOc1ccc(SCC(=O)Oc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000821427618 607249520 /nfs/dbraw/zinc/24/95/20/607249520.db2.gz XHCHOFOIRUFRPR-UHFFFAOYSA-N -1 3 374.397 3.102 20 0 FGADHM C[C@H](CCc1cccc(F)c1)C(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000820252535 607250007 /nfs/dbraw/zinc/25/00/07/607250007.db2.gz BRSHSFHMYXZNQW-LLVKDONJSA-N -1 3 358.348 3.319 20 0 FGADHM C[C@H](CCc1cccc(F)c1)C(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000820252535 607250008 /nfs/dbraw/zinc/25/00/08/607250008.db2.gz BRSHSFHMYXZNQW-LLVKDONJSA-N -1 3 358.348 3.319 20 0 FGADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)C1(Cc2ccccc2)CCC1 ZINC000823450346 607251053 /nfs/dbraw/zinc/25/10/53/607251053.db2.gz PBKSKOCTHGGBSQ-UHFFFAOYSA-N -1 3 352.369 3.324 20 0 FGADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)C1(Cc2ccccc2)CCC1 ZINC000823450346 607251054 /nfs/dbraw/zinc/25/10/54/607251054.db2.gz PBKSKOCTHGGBSQ-UHFFFAOYSA-N -1 3 352.369 3.324 20 0 FGADHM Cc1cc(NC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)ccc1O ZINC000822209591 607252324 /nfs/dbraw/zinc/25/23/24/607252324.db2.gz PAXWDLWKFSXZOM-UHFFFAOYSA-N -1 3 360.830 3.343 20 0 FGADHM Cc1cc(NC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)ccc1O ZINC000822209591 607252325 /nfs/dbraw/zinc/25/23/25/607252325.db2.gz PAXWDLWKFSXZOM-UHFFFAOYSA-N -1 3 360.830 3.343 20 0 FGADHM C[C@H]1CC[C@H](NC(=O)CNc2ccc(-c3nn[n-]n3)cc2)c2ccccc21 ZINC000824917862 607780050 /nfs/dbraw/zinc/78/00/50/607780050.db2.gz OJETUBPHTUDFOP-UGSOOPFHSA-N -1 3 362.437 3.033 20 0 FGADHM CC[C@H](C)OCC(=O)Nc1sc(-c2ccccc2)cc1-c1nnn[n-]1 ZINC000825076290 607785349 /nfs/dbraw/zinc/78/53/49/607785349.db2.gz VAGVFAKVHYCUNU-NSHDSACASA-N -1 3 357.439 3.349 20 0 FGADHM CC[C@H](C)OCC(=O)Nc1sc(-c2ccccc2)cc1-c1nn[n-]n1 ZINC000825076290 607785350 /nfs/dbraw/zinc/78/53/50/607785350.db2.gz VAGVFAKVHYCUNU-NSHDSACASA-N -1 3 357.439 3.349 20 0 FGADHM Cc1nc(Cl)ccc1C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000826326190 607785806 /nfs/dbraw/zinc/78/58/06/607785806.db2.gz FTHVUFLSQFWLLI-UHFFFAOYSA-N -1 3 359.821 3.032 20 0 FGADHM Cc1nc(Cl)ccc1C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000826326190 607785807 /nfs/dbraw/zinc/78/58/07/607785807.db2.gz FTHVUFLSQFWLLI-UHFFFAOYSA-N -1 3 359.821 3.032 20 0 FGADHM C[C@@H](CC(=O)Nc1ccc(F)cc1-c1nnn[n-]1)c1ccc(F)cc1F ZINC000824385515 607785961 /nfs/dbraw/zinc/78/59/61/607785961.db2.gz VZNPFWAALOJTCI-VIFPVBQESA-N -1 3 361.327 3.416 20 0 FGADHM C[C@@H](CC(=O)Nc1ccc(F)cc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC000824385515 607785962 /nfs/dbraw/zinc/78/59/62/607785962.db2.gz VZNPFWAALOJTCI-VIFPVBQESA-N -1 3 361.327 3.416 20 0 FGADHM CN(C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1)c1ccccc1-c1nnn[n-]1 ZINC000825812880 607789991 /nfs/dbraw/zinc/78/99/91/607789991.db2.gz WPHLSMNRAROADW-LSDHHAIUSA-N -1 3 353.813 3.287 20 0 FGADHM CN(C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1)c1ccccc1-c1nn[n-]n1 ZINC000825812880 607789992 /nfs/dbraw/zinc/78/99/92/607789992.db2.gz WPHLSMNRAROADW-LSDHHAIUSA-N -1 3 353.813 3.287 20 0 FGADHM O=C(c1cccc(-c2nnn[n-]2)c1)N(CC1CCCCC1)c1ccccn1 ZINC000826473800 607791903 /nfs/dbraw/zinc/79/19/03/607791903.db2.gz OQMUMGLUOOBGIB-UHFFFAOYSA-N -1 3 362.437 3.489 20 0 FGADHM O=C(c1cccc(-c2nn[n-]n2)c1)N(CC1CCCCC1)c1ccccn1 ZINC000826473800 607791904 /nfs/dbraw/zinc/79/19/04/607791904.db2.gz OQMUMGLUOOBGIB-UHFFFAOYSA-N -1 3 362.437 3.489 20 0 FGADHM CCN(C(=O)Cc1c[nH]c2c1cccc2C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825376778 607796445 /nfs/dbraw/zinc/79/64/45/607796445.db2.gz NLADFAKRTCAKFN-UHFFFAOYSA-N -1 3 360.421 3.252 20 0 FGADHM CCN(C(=O)Cc1c[nH]c2c1cccc2C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825376778 607796446 /nfs/dbraw/zinc/79/64/46/607796446.db2.gz NLADFAKRTCAKFN-UHFFFAOYSA-N -1 3 360.421 3.252 20 0 FGADHM CCN(C(=O)c1ccc(-n2cccc2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825379247 607796592 /nfs/dbraw/zinc/79/65/92/607796592.db2.gz DHXXQULPUZXJBU-UHFFFAOYSA-N -1 3 358.405 3.324 20 0 FGADHM CCN(C(=O)c1ccc(-n2cccc2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825379247 607796593 /nfs/dbraw/zinc/79/65/93/607796593.db2.gz DHXXQULPUZXJBU-UHFFFAOYSA-N -1 3 358.405 3.324 20 0 FGADHM CCN(C(=O)[C@H](C)c1ccc(OC)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825362874 607799004 /nfs/dbraw/zinc/79/90/04/607799004.db2.gz SECKSGXIHDURDE-CYBMUJFWSA-N -1 3 351.410 3.032 20 0 FGADHM CCN(C(=O)[C@H](C)c1ccc(OC)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825362874 607799005 /nfs/dbraw/zinc/79/90/05/607799005.db2.gz SECKSGXIHDURDE-CYBMUJFWSA-N -1 3 351.410 3.032 20 0 FGADHM CCN(C(=O)CCCOc1ccc(C)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825372415 607799271 /nfs/dbraw/zinc/79/92/71/607799271.db2.gz XMMPCOKFMFPMBJ-UHFFFAOYSA-N -1 3 365.437 3.387 20 0 FGADHM CCN(C(=O)CCCOc1ccc(C)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825372415 607799272 /nfs/dbraw/zinc/79/92/72/607799272.db2.gz XMMPCOKFMFPMBJ-UHFFFAOYSA-N -1 3 365.437 3.387 20 0 FGADHM Clc1cc(-c2nnn[n-]2)cnc1N[C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000826351000 607811344 /nfs/dbraw/zinc/81/13/44/607811344.db2.gz TZAJEKNVDUVQHA-LRDDRELGSA-N -1 3 370.844 3.495 20 0 FGADHM Clc1cc(-c2nn[n-]n2)cnc1N[C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000826351000 607811345 /nfs/dbraw/zinc/81/13/45/607811345.db2.gz TZAJEKNVDUVQHA-LRDDRELGSA-N -1 3 370.844 3.495 20 0 FGADHM CN(Cn1nc(-c2cccs2)oc1=S)c1ccccc1-c1nnn[n-]1 ZINC000825999083 607847619 /nfs/dbraw/zinc/84/76/19/607847619.db2.gz KRPLVUKQXXOMNJ-UHFFFAOYSA-N -1 3 371.451 3.208 20 0 FGADHM CN(Cn1nc(-c2cccs2)oc1=S)c1ccccc1-c1nn[n-]n1 ZINC000825999083 607847620 /nfs/dbraw/zinc/84/76/20/607847620.db2.gz KRPLVUKQXXOMNJ-UHFFFAOYSA-N -1 3 371.451 3.208 20 0 FGADHM C[C@@H](Nc1cc(-c2nnn[n-]2)c2ccccc2n1)[C@H]1COc2ccccc21 ZINC000824650411 607850272 /nfs/dbraw/zinc/85/02/72/607850272.db2.gz RJUZUAKITADRKH-MLGOLLRUSA-N -1 3 358.405 3.392 20 0 FGADHM C[C@@H](Nc1cc(-c2nn[n-]n2)c2ccccc2n1)[C@H]1COc2ccccc21 ZINC000824650411 607850273 /nfs/dbraw/zinc/85/02/73/607850273.db2.gz RJUZUAKITADRKH-MLGOLLRUSA-N -1 3 358.405 3.392 20 0 FGADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)Nc1cccnc1-c1ccccc1 ZINC000826442942 607858588 /nfs/dbraw/zinc/85/85/88/607858588.db2.gz RLKCXJNWBZCJRL-UHFFFAOYSA-N -1 3 371.404 3.250 20 0 FGADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)Nc1cccnc1-c1ccccc1 ZINC000826442942 607858589 /nfs/dbraw/zinc/85/85/89/607858589.db2.gz RLKCXJNWBZCJRL-UHFFFAOYSA-N -1 3 371.404 3.250 20 0 FGADHM O[C@H](COc1ccc(-c2nnn[n-]2)cc1F)c1cccc(C(F)(F)F)c1 ZINC000826505055 607875831 /nfs/dbraw/zinc/87/58/31/607875831.db2.gz LBKSTGXJACTXAP-CYBMUJFWSA-N -1 3 368.290 3.137 20 0 FGADHM O[C@H](COc1ccc(-c2nn[n-]n2)cc1F)c1cccc(C(F)(F)F)c1 ZINC000826505055 607875832 /nfs/dbraw/zinc/87/58/32/607875832.db2.gz LBKSTGXJACTXAP-CYBMUJFWSA-N -1 3 368.290 3.137 20 0 FGADHM CCN(C(=O)c1cccc(COC)c1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825385897 607878138 /nfs/dbraw/zinc/87/81/38/607878138.db2.gz UYBQNYZLFWSKAR-UHFFFAOYSA-N -1 3 371.828 3.333 20 0 FGADHM CCN(C(=O)c1cccc(COC)c1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825385897 607878139 /nfs/dbraw/zinc/87/81/39/607878139.db2.gz UYBQNYZLFWSKAR-UHFFFAOYSA-N -1 3 371.828 3.333 20 0 FGADHM CCN(C(=O)c1ccc(F)c(F)c1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825386134 607879031 /nfs/dbraw/zinc/87/90/31/607879031.db2.gz YSVHRLIUJSKVBU-UHFFFAOYSA-N -1 3 363.755 3.465 20 0 FGADHM CCN(C(=O)c1ccc(F)c(F)c1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825386134 607879032 /nfs/dbraw/zinc/87/90/32/607879032.db2.gz YSVHRLIUJSKVBU-UHFFFAOYSA-N -1 3 363.755 3.465 20 0 FGADHM CCCc1ccccc1NCc1cccc(C(=O)OC)c1-c1nnn[n-]1 ZINC000825348158 607879781 /nfs/dbraw/zinc/87/97/81/607879781.db2.gz DLRNPKJZCQQJSY-UHFFFAOYSA-N -1 3 351.410 3.218 20 0 FGADHM CCCc1ccccc1NCc1cccc(C(=O)OC)c1-c1nn[n-]n1 ZINC000825348158 607879782 /nfs/dbraw/zinc/87/97/82/607879782.db2.gz DLRNPKJZCQQJSY-UHFFFAOYSA-N -1 3 351.410 3.218 20 0 FGADHM CCN(C(=O)c1nc(Cl)ccc1F)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825390765 607978500 /nfs/dbraw/zinc/97/85/00/607978500.db2.gz LZWQEIWKFATNHJ-SNVBAGLBSA-N -1 3 374.807 3.278 20 0 FGADHM CCN(C(=O)c1nc(Cl)ccc1F)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825390765 607978501 /nfs/dbraw/zinc/97/85/01/607978501.db2.gz LZWQEIWKFATNHJ-SNVBAGLBSA-N -1 3 374.807 3.278 20 0 FGADHM COc1ccc(CSCC(=O)Nc2ccccc2C)cc1-c1nnn[n-]1 ZINC000826207330 607984229 /nfs/dbraw/zinc/98/42/29/607984229.db2.gz KCSFHYCAJMHLHR-UHFFFAOYSA-N -1 3 369.450 3.056 20 0 FGADHM COc1ccc(CSCC(=O)Nc2ccccc2C)cc1-c1nn[n-]n1 ZINC000826207330 607984230 /nfs/dbraw/zinc/98/42/30/607984230.db2.gz KCSFHYCAJMHLHR-UHFFFAOYSA-N -1 3 369.450 3.056 20 0 FGADHM CC(C)(C)C1=CCN(CC(=O)Nc2cc(Cl)ccc2-c2nnn[n-]2)CC1 ZINC000824072687 607986075 /nfs/dbraw/zinc/98/60/75/607986075.db2.gz XQHYCASRIGHMNY-UHFFFAOYSA-N -1 3 374.876 3.137 20 0 FGADHM CC(C)(C)C1=CCN(CC(=O)Nc2cc(Cl)ccc2-c2nn[n-]n2)CC1 ZINC000824072687 607986076 /nfs/dbraw/zinc/98/60/76/607986076.db2.gz XQHYCASRIGHMNY-UHFFFAOYSA-N -1 3 374.876 3.137 20 0 FGADHM COc1ccc(C[C@@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000826190635 608000020 /nfs/dbraw/zinc/00/00/20/608000020.db2.gz IAWTUDSMEHMDRX-LLVKDONJSA-N -1 3 371.828 3.346 20 0 FGADHM COc1ccc(C[C@@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000826190635 608000021 /nfs/dbraw/zinc/00/00/21/608000021.db2.gz IAWTUDSMEHMDRX-LLVKDONJSA-N -1 3 371.828 3.346 20 0 FGADHM Cc1cc([C@@H](NC(=O)Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)ccc1F ZINC000826262555 608009391 /nfs/dbraw/zinc/00/93/91/608009391.db2.gz RYHLVMZOCBNXHL-IBGZPJMESA-N -1 3 365.412 3.124 20 0 FGADHM Cc1cc([C@@H](NC(=O)Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)ccc1F ZINC000826262555 608009392 /nfs/dbraw/zinc/00/93/92/608009392.db2.gz RYHLVMZOCBNXHL-IBGZPJMESA-N -1 3 365.412 3.124 20 0 FGADHM Cn1c2ccc(NC(=O)Nc3ccc(-c4nnn[n-]4)cc3)cc2nc1C1CC1 ZINC000826355402 608023166 /nfs/dbraw/zinc/02/31/66/608023166.db2.gz XXAHDUMUTRTYHH-UHFFFAOYSA-N -1 3 374.408 3.275 20 0 FGADHM Cn1c2ccc(NC(=O)Nc3ccc(-c4nn[n-]n4)cc3)cc2nc1C1CC1 ZINC000826355402 608023167 /nfs/dbraw/zinc/02/31/67/608023167.db2.gz XXAHDUMUTRTYHH-UHFFFAOYSA-N -1 3 374.408 3.275 20 0 FGADHM COc1ccccc1[C@H](NCc1ccc(-c2nnn[n-]2)cc1)c1ccccn1 ZINC000826219238 608027445 /nfs/dbraw/zinc/02/74/45/608027445.db2.gz WJLREGVAIVGTTJ-FQEVSTJZSA-N -1 3 372.432 3.150 20 0 FGADHM COc1ccccc1[C@H](NCc1ccc(-c2nn[n-]n2)cc1)c1ccccn1 ZINC000826219238 608027446 /nfs/dbraw/zinc/02/74/46/608027446.db2.gz WJLREGVAIVGTTJ-FQEVSTJZSA-N -1 3 372.432 3.150 20 0 FGADHM Brc1cc(-c2nn[n-]n2)ccc1NCCCc1ccccn1 ZINC000823826715 608051125 /nfs/dbraw/zinc/05/11/25/608051125.db2.gz NOQKJFIGTHFRNX-UHFFFAOYSA-N -1 3 359.231 3.069 20 0 FGADHM Fc1cc(OCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)ccc1Cl ZINC000826372891 608056019 /nfs/dbraw/zinc/05/60/19/608056019.db2.gz PWYQGDCYJHVCIT-UHFFFAOYSA-N -1 3 372.747 3.288 20 0 FGADHM Fc1cc(OCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)ccc1Cl ZINC000826372891 608056020 /nfs/dbraw/zinc/05/60/20/608056020.db2.gz PWYQGDCYJHVCIT-UHFFFAOYSA-N -1 3 372.747 3.288 20 0 FGADHM C[C@H](NC(=O)N(CC(F)F)CC1CCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824491566 608061991 /nfs/dbraw/zinc/06/19/91/608061991.db2.gz UYPTVIXDTKGCED-NSHDSACASA-N -1 3 364.400 3.005 20 0 FGADHM C[C@H](NC(=O)N(CC(F)F)CC1CCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824491566 608061992 /nfs/dbraw/zinc/06/19/92/608061992.db2.gz UYPTVIXDTKGCED-NSHDSACASA-N -1 3 364.400 3.005 20 0 FGADHM COCCOc1ccc(-c2nnn[n-]2)cc1NCc1ccc([C@@H]2C[C@H]2C)o1 ZINC000826161929 608136312 /nfs/dbraw/zinc/13/63/12/608136312.db2.gz FYWQTPAWFLTWLU-IUODEOHRSA-N -1 3 369.425 3.220 20 0 FGADHM COCCOc1ccc(-c2nn[n-]n2)cc1NCc1ccc([C@@H]2C[C@H]2C)o1 ZINC000826161929 608136313 /nfs/dbraw/zinc/13/63/13/608136313.db2.gz FYWQTPAWFLTWLU-IUODEOHRSA-N -1 3 369.425 3.220 20 0 FGADHM O=C(CCCC(F)(F)F)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000826405634 608149046 /nfs/dbraw/zinc/14/90/46/608149046.db2.gz NDAQBVILEIPFTJ-UHFFFAOYSA-N -1 3 359.377 3.478 20 0 FGADHM O=C(CCCC(F)(F)F)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000826405634 608149047 /nfs/dbraw/zinc/14/90/47/608149047.db2.gz NDAQBVILEIPFTJ-UHFFFAOYSA-N -1 3 359.377 3.478 20 0 FGADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N[C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000826304370 608150742 /nfs/dbraw/zinc/15/07/42/608150742.db2.gz IQFPXSMHEXZUJJ-XJKSGUPXSA-N -1 3 366.469 3.151 20 0 FGADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N[C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000826304370 608150743 /nfs/dbraw/zinc/15/07/43/608150743.db2.gz IQFPXSMHEXZUJJ-XJKSGUPXSA-N -1 3 366.469 3.151 20 0 FGADHM CCC1(CO)CCN(c2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)CC1 ZINC000825170972 608151496 /nfs/dbraw/zinc/15/14/96/608151496.db2.gz LABZFHYBKKQKOM-UHFFFAOYSA-N -1 3 372.860 3.057 20 0 FGADHM CCC1(CO)CCN(c2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)CC1 ZINC000825170972 608151497 /nfs/dbraw/zinc/15/14/97/608151497.db2.gz LABZFHYBKKQKOM-UHFFFAOYSA-N -1 3 372.860 3.057 20 0 FGADHM Cc1cccc(C2=CCN(C(=O)Cc3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000826297764 608163628 /nfs/dbraw/zinc/16/36/28/608163628.db2.gz RADSQQJSGURZKL-UHFFFAOYSA-N -1 3 359.433 3.034 20 0 FGADHM Cc1cccc(C2=CCN(C(=O)Cc3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000826297764 608163630 /nfs/dbraw/zinc/16/36/30/608163630.db2.gz RADSQQJSGURZKL-UHFFFAOYSA-N -1 3 359.433 3.034 20 0 FGADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)c1cccc(C)c1C ZINC000825793631 608176033 /nfs/dbraw/zinc/17/60/33/608176033.db2.gz ZEQXLLDXWUSKRZ-UHFFFAOYSA-N -1 3 361.409 3.105 20 0 FGADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)c1cccc(C)c1C ZINC000825793631 608176035 /nfs/dbraw/zinc/17/60/35/608176035.db2.gz ZEQXLLDXWUSKRZ-UHFFFAOYSA-N -1 3 361.409 3.105 20 0 FGADHM C[C@H](OC(=O)C1(c2cccc(F)c2)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000824716650 608181994 /nfs/dbraw/zinc/18/19/94/608181994.db2.gz ZSLXFNSGIPDHLN-LBPRGKRZSA-N -1 3 352.369 3.342 20 0 FGADHM C[C@H](OC(=O)C1(c2cccc(F)c2)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000824716650 608181995 /nfs/dbraw/zinc/18/19/95/608181995.db2.gz ZSLXFNSGIPDHLN-LBPRGKRZSA-N -1 3 352.369 3.342 20 0 FGADHM CC(C)c1ncc(Cl)c(C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000824364420 608182765 /nfs/dbraw/zinc/18/27/65/608182765.db2.gz FRQLYFQGORETQI-JTQLQIEISA-N -1 3 372.816 3.352 20 0 FGADHM CC(C)c1ncc(Cl)c(C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000824364420 608182766 /nfs/dbraw/zinc/18/27/66/608182766.db2.gz FRQLYFQGORETQI-JTQLQIEISA-N -1 3 372.816 3.352 20 0 FGADHM Cc1ccc(CNC(=O)CSc2cccc(Cl)c2-c2nnn[n-]2)cc1 ZINC000826287905 608207608 /nfs/dbraw/zinc/20/76/08/608207608.db2.gz ITFUNBBTYJRWGL-UHFFFAOYSA-N -1 3 373.869 3.237 20 0 FGADHM Cc1ccc(CNC(=O)CSc2cccc(Cl)c2-c2nn[n-]n2)cc1 ZINC000826287905 608207609 /nfs/dbraw/zinc/20/76/09/608207609.db2.gz ITFUNBBTYJRWGL-UHFFFAOYSA-N -1 3 373.869 3.237 20 0 FGADHM O=C1[C@H](Nc2ccc(C3CC3)cc2)CCN1c1sccc1-c1nnn[n-]1 ZINC000826477906 608219545 /nfs/dbraw/zinc/21/95/45/608219545.db2.gz PETNQKZIGMJPDC-OAHLLOKOSA-N -1 3 366.450 3.023 20 0 FGADHM O=C1[C@H](Nc2ccc(C3CC3)cc2)CCN1c1sccc1-c1nn[n-]n1 ZINC000826477906 608219546 /nfs/dbraw/zinc/21/95/46/608219546.db2.gz PETNQKZIGMJPDC-OAHLLOKOSA-N -1 3 366.450 3.023 20 0 FGADHM c1ccc(N2CCC(Nc3ccc4cc(-c5nnn[n-]5)ccc4n3)CC2)cc1 ZINC000826522020 608224341 /nfs/dbraw/zinc/22/43/41/608224341.db2.gz IJZAXYFQVJBGFT-UHFFFAOYSA-N -1 3 371.448 3.496 20 0 FGADHM c1ccc(N2CCC(Nc3ccc4cc(-c5nn[n-]n5)ccc4n3)CC2)cc1 ZINC000826522020 608224342 /nfs/dbraw/zinc/22/43/42/608224342.db2.gz IJZAXYFQVJBGFT-UHFFFAOYSA-N -1 3 371.448 3.496 20 0 FGADHM C[C@@H](C[C@@H](O)c1ccccc1)Nc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000824390511 608233531 /nfs/dbraw/zinc/23/35/31/608233531.db2.gz ASDIEYQWIZWELG-SCLBCKFNSA-N -1 3 360.421 3.339 20 0 FGADHM C[C@@H](C[C@@H](O)c1ccccc1)Nc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000824390511 608233532 /nfs/dbraw/zinc/23/35/32/608233532.db2.gz ASDIEYQWIZWELG-SCLBCKFNSA-N -1 3 360.421 3.339 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C=Cc1ccc2[nH]ccc2c1 ZINC000825620780 608237094 /nfs/dbraw/zinc/23/70/94/608237094.db2.gz HUNXOLNYHIILQE-XBXARRHUSA-N -1 3 374.404 3.399 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C=Cc1ccc2[nH]ccc2c1 ZINC000825620780 608237096 /nfs/dbraw/zinc/23/70/96/608237096.db2.gz HUNXOLNYHIILQE-XBXARRHUSA-N -1 3 374.404 3.399 20 0 FGADHM COc1ccc([C@H](OC)[C@@H](C)Nc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000826190318 608240033 /nfs/dbraw/zinc/24/00/33/608240033.db2.gz XIHXEKOGNQJZOO-PIGZYNQJSA-N -1 3 357.389 3.203 20 0 FGADHM COc1ccc([C@H](OC)[C@@H](C)Nc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000826190318 608240034 /nfs/dbraw/zinc/24/00/34/608240034.db2.gz XIHXEKOGNQJZOO-PIGZYNQJSA-N -1 3 357.389 3.203 20 0 FGADHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(N[C@@H]3CCO[C@@H](C(C)C)C3)c2c1 ZINC000826263949 608243183 /nfs/dbraw/zinc/24/31/83/608243183.db2.gz XDJODAGEBNYADN-RHSMWYFYSA-N -1 3 366.469 3.069 20 0 FGADHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(N[C@@H]3CCO[C@@H](C(C)C)C3)c2c1 ZINC000826263949 608243184 /nfs/dbraw/zinc/24/31/84/608243184.db2.gz XDJODAGEBNYADN-RHSMWYFYSA-N -1 3 366.469 3.069 20 0 FGADHM O=C(C=Cc1ccc2[nH]ccc2c1)OCc1ccc(-c2nnn[n-]2)cc1F ZINC000826401283 608252872 /nfs/dbraw/zinc/25/28/72/608252872.db2.gz UQWCZKBVVYTIDU-QHHAFSJGSA-N -1 3 363.352 3.244 20 0 FGADHM O=C(C=Cc1ccc2[nH]ccc2c1)OCc1ccc(-c2nn[n-]n2)cc1F ZINC000826401283 608252875 /nfs/dbraw/zinc/25/28/75/608252875.db2.gz UQWCZKBVVYTIDU-QHHAFSJGSA-N -1 3 363.352 3.244 20 0 FGADHM O=C(C=C1CCSCC1)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826400375 608260866 /nfs/dbraw/zinc/26/08/66/608260866.db2.gz XWXUTODYYWIOQS-UHFFFAOYSA-N -1 3 369.372 3.277 20 0 FGADHM O=C(C=C1CCSCC1)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826400375 608260867 /nfs/dbraw/zinc/26/08/67/608260867.db2.gz XWXUTODYYWIOQS-UHFFFAOYSA-N -1 3 369.372 3.277 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1CSc1ncnc2ccccc21 ZINC000826173581 608261299 /nfs/dbraw/zinc/26/12/99/608261299.db2.gz KRRITOZWHYRJKY-UHFFFAOYSA-N -1 3 350.407 3.111 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1CSc1ncnc2ccccc21 ZINC000826173581 608261301 /nfs/dbraw/zinc/26/13/01/608261301.db2.gz KRRITOZWHYRJKY-UHFFFAOYSA-N -1 3 350.407 3.111 20 0 FGADHM C[C@@H](NC(=O)N[C@H](C)c1cccc(F)c1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000824492014 608268701 /nfs/dbraw/zinc/26/87/01/608268701.db2.gz WOEQOIDIAYJGDK-GHMZBOCLSA-N -1 3 372.379 3.266 20 0 FGADHM C[C@@H](NC(=O)N[C@H](C)c1cccc(F)c1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000824492014 608268703 /nfs/dbraw/zinc/26/87/03/608268703.db2.gz WOEQOIDIAYJGDK-GHMZBOCLSA-N -1 3 372.379 3.266 20 0 FGADHM CCc1cccnc1C(=O)N(CC)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825728063 608269778 /nfs/dbraw/zinc/26/97/78/608269778.db2.gz HGGZNZRFRXZAOF-ZDUSSCGKSA-N -1 3 350.426 3.047 20 0 FGADHM CCc1cccnc1C(=O)N(CC)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825728063 608269780 /nfs/dbraw/zinc/26/97/80/608269780.db2.gz HGGZNZRFRXZAOF-ZDUSSCGKSA-N -1 3 350.426 3.047 20 0 FGADHM C[C@H](OC(=O)Cc1cccc2cccnc21)c1cccc(-c2nnn[n-]2)c1 ZINC000824713067 608273896 /nfs/dbraw/zinc/27/38/96/608273896.db2.gz GHKBSDWRMXSVAI-ZDUSSCGKSA-N -1 3 359.389 3.262 20 0 FGADHM C[C@H](OC(=O)Cc1cccc2cccnc21)c1cccc(-c2nn[n-]n2)c1 ZINC000824713067 608273898 /nfs/dbraw/zinc/27/38/98/608273898.db2.gz GHKBSDWRMXSVAI-ZDUSSCGKSA-N -1 3 359.389 3.262 20 0 FGADHM COc1cccc(C=C2CCN(c3nc(C)ccc3-c3nnn[n-]3)CC2)c1 ZINC000826214992 608296558 /nfs/dbraw/zinc/29/65/58/608296558.db2.gz CVASUORHDDFSQS-UHFFFAOYSA-N -1 3 362.437 3.263 20 0 FGADHM COc1cccc(C=C2CCN(c3nc(C)ccc3-c3nn[n-]n3)CC2)c1 ZINC000826214992 608296560 /nfs/dbraw/zinc/29/65/60/608296560.db2.gz CVASUORHDDFSQS-UHFFFAOYSA-N -1 3 362.437 3.263 20 0 FGADHM CS[C@@H](C)CCC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC000826225883 608301311 /nfs/dbraw/zinc/30/13/11/608301311.db2.gz MVNHMDAQLGGTJS-AWEZNQCLSA-N -1 3 361.515 3.383 20 0 FGADHM CS[C@@H](C)CCC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC000826225883 608301309 /nfs/dbraw/zinc/30/13/09/608301309.db2.gz MVNHMDAQLGGTJS-AWEZNQCLSA-N -1 3 361.515 3.383 20 0 FGADHM Cc1c(Nc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)cnn1CC(C)C ZINC000826242749 608306692 /nfs/dbraw/zinc/30/66/92/608306692.db2.gz DQJZBMOPGOAGGZ-UHFFFAOYSA-N -1 3 366.351 3.185 20 0 FGADHM Cc1c(Nc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)cnn1CC(C)C ZINC000826242749 608306694 /nfs/dbraw/zinc/30/66/94/608306694.db2.gz DQJZBMOPGOAGGZ-UHFFFAOYSA-N -1 3 366.351 3.185 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)C(F)(F)c1ccccc1F ZINC000826452873 608311519 /nfs/dbraw/zinc/31/15/19/608311519.db2.gz MLFGQHWZUJJZEG-UHFFFAOYSA-N -1 3 367.718 3.390 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)C(F)(F)c1ccccc1F ZINC000826452873 608311520 /nfs/dbraw/zinc/31/15/20/608311520.db2.gz MLFGQHWZUJJZEG-UHFFFAOYSA-N -1 3 367.718 3.390 20 0 FGADHM C[C@@H](NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1cccc(F)c1F ZINC000824492052 608312131 /nfs/dbraw/zinc/31/21/31/608312131.db2.gz XEKSITZXKIWXAQ-WDEREUQCSA-N -1 3 372.379 3.266 20 0 FGADHM C[C@@H](NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1cccc(F)c1F ZINC000824492052 608312133 /nfs/dbraw/zinc/31/21/33/608312133.db2.gz XEKSITZXKIWXAQ-WDEREUQCSA-N -1 3 372.379 3.266 20 0 FGADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1)c1cccc([C@H]2CCCOC2)c1 ZINC000826464982 608318669 /nfs/dbraw/zinc/31/86/69/608318669.db2.gz UGWRTYAQCBYULM-SFHVURJKSA-N -1 3 364.405 3.118 20 0 FGADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1)c1cccc([C@H]2CCCOC2)c1 ZINC000826464982 608318671 /nfs/dbraw/zinc/31/86/71/608318671.db2.gz UGWRTYAQCBYULM-SFHVURJKSA-N -1 3 364.405 3.118 20 0 FGADHM CCOC(=O)Nc1ccc(OCc2ccc(-c3nnn[n-]3)cc2OC)cc1 ZINC000825553412 608323422 /nfs/dbraw/zinc/32/34/22/608323422.db2.gz PUERJPDDAGGWFS-UHFFFAOYSA-N -1 3 369.381 3.023 20 0 FGADHM CCOC(=O)Nc1ccc(OCc2ccc(-c3nn[n-]n3)cc2OC)cc1 ZINC000825553412 608323424 /nfs/dbraw/zinc/32/34/24/608323424.db2.gz PUERJPDDAGGWFS-UHFFFAOYSA-N -1 3 369.381 3.023 20 0 FGADHM CC[C@@H](CSC)N(C)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000825122389 608338490 /nfs/dbraw/zinc/33/84/90/608338490.db2.gz YLZJJFUZCIZBGV-JTQLQIEISA-N -1 3 354.867 3.125 20 0 FGADHM CC[C@@H](CSC)N(C)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000825122389 608338492 /nfs/dbraw/zinc/33/84/92/608338492.db2.gz YLZJJFUZCIZBGV-JTQLQIEISA-N -1 3 354.867 3.125 20 0 FGADHM CCN(C(=O)C[C@H](C)n1cccc1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825366673 608343602 /nfs/dbraw/zinc/34/36/02/608343602.db2.gz DJTFSNREZXMKGK-LBPRGKRZSA-N -1 3 358.833 3.326 20 0 FGADHM CCN(C(=O)C[C@H](C)n1cccc1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825366673 608343604 /nfs/dbraw/zinc/34/36/04/608343604.db2.gz DJTFSNREZXMKGK-LBPRGKRZSA-N -1 3 358.833 3.326 20 0 FGADHM CC(C)(C)c1cc(NC(=O)C=CC2CCOCC2)c(-c2nnn[n-]2)s1 ZINC000824129670 608349011 /nfs/dbraw/zinc/34/90/11/608349011.db2.gz DPERMKKVVRKCLT-SNAWJCMRSA-N -1 3 361.471 3.147 20 0 FGADHM CC(C)(C)c1cc(NC(=O)C=CC2CCOCC2)c(-c2nn[n-]n2)s1 ZINC000824129670 608349013 /nfs/dbraw/zinc/34/90/13/608349013.db2.gz DPERMKKVVRKCLT-SNAWJCMRSA-N -1 3 361.471 3.147 20 0 FGADHM CC(C)(C)c1cc(NC(=O)/C=C/C2CCOCC2)c(-c2nn[n-]n2)s1 ZINC000824129670 608349014 /nfs/dbraw/zinc/34/90/14/608349014.db2.gz DPERMKKVVRKCLT-SNAWJCMRSA-N -1 3 361.471 3.147 20 0 FGADHM O=C(NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)NCC1CCC1 ZINC000826440877 608352308 /nfs/dbraw/zinc/35/23/08/608352308.db2.gz DTPJPWOGQSDVGQ-UHFFFAOYSA-N -1 3 362.437 3.133 20 0 FGADHM O=C(NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)NCC1CCC1 ZINC000826440877 608352310 /nfs/dbraw/zinc/35/23/10/608352310.db2.gz DTPJPWOGQSDVGQ-UHFFFAOYSA-N -1 3 362.437 3.133 20 0 FGADHM O=C(NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)N1C[C@H]2CCC[C@@H]21 ZINC000826440955 608357245 /nfs/dbraw/zinc/35/72/45/608357245.db2.gz HAZFEVWABORJJP-APWZRJJASA-N -1 3 374.448 3.228 20 0 FGADHM O=C(NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)N1C[C@H]2CCC[C@@H]21 ZINC000826440955 608357247 /nfs/dbraw/zinc/35/72/47/608357247.db2.gz HAZFEVWABORJJP-APWZRJJASA-N -1 3 374.448 3.228 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)[C@H](C)c1c(F)cccc1F ZINC000826170785 608372967 /nfs/dbraw/zinc/37/29/67/608372967.db2.gz PFIVBIDJSOBWMF-SNVBAGLBSA-N -1 3 374.347 3.000 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)[C@H](C)c1c(F)cccc1F ZINC000826170785 608372969 /nfs/dbraw/zinc/37/29/69/608372969.db2.gz PFIVBIDJSOBWMF-SNVBAGLBSA-N -1 3 374.347 3.000 20 0 FGADHM CC(C)OC(=O)c1ccc(OCc2cccc(-c3nnn[n-]3)c2F)cc1 ZINC000824309488 608397096 /nfs/dbraw/zinc/39/70/96/608397096.db2.gz QQASTPFEQCQKHJ-UHFFFAOYSA-N -1 3 356.357 3.150 20 0 FGADHM CC(C)OC(=O)c1ccc(OCc2cccc(-c3nn[n-]n3)c2F)cc1 ZINC000824309488 608397098 /nfs/dbraw/zinc/39/70/98/608397098.db2.gz QQASTPFEQCQKHJ-UHFFFAOYSA-N -1 3 356.357 3.150 20 0 FGADHM CC[C@@H](N[C@H](C(=O)OC)c1cccc(-c2nnn[n-]2)c1)c1ccc(C)cc1 ZINC000825141022 608426283 /nfs/dbraw/zinc/42/62/83/608426283.db2.gz MSXMIJNVTLIGSG-MSOLQXFVSA-N -1 3 365.437 3.130 20 0 FGADHM CC[C@@H](N[C@H](C(=O)OC)c1cccc(-c2nn[n-]n2)c1)c1ccc(C)cc1 ZINC000825141022 608426284 /nfs/dbraw/zinc/42/62/84/608426284.db2.gz MSXMIJNVTLIGSG-MSOLQXFVSA-N -1 3 365.437 3.130 20 0 FGADHM CCc1ccc(NC(=O)COc2ccc(-c3nn[n-]n3)cc2)cc1CC ZINC000825712225 608430665 /nfs/dbraw/zinc/43/06/65/608430665.db2.gz NYZUAQSEMQKOPF-UHFFFAOYSA-N -1 3 351.410 3.009 20 0 FGADHM Cc1ccc([C@@H](C)NCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)cc1 ZINC000826283415 608431323 /nfs/dbraw/zinc/43/13/23/608431323.db2.gz QLVXYUZHYGNUBJ-CYBMUJFWSA-N -1 3 361.409 3.076 20 0 FGADHM Cc1ccc([C@@H](C)NCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)cc1 ZINC000826283415 608431325 /nfs/dbraw/zinc/43/13/25/608431325.db2.gz QLVXYUZHYGNUBJ-CYBMUJFWSA-N -1 3 361.409 3.076 20 0 FGADHM CC(C)c1ccccc1OCC(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000824352760 608436340 /nfs/dbraw/zinc/43/63/40/608436340.db2.gz MBXBZLGEJVSTKT-UHFFFAOYSA-N -1 3 370.384 3.251 20 0 FGADHM CC(C)c1ccccc1OCC(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000824352760 608436342 /nfs/dbraw/zinc/43/63/42/608436342.db2.gz MBXBZLGEJVSTKT-UHFFFAOYSA-N -1 3 370.384 3.251 20 0 FGADHM COc1ccc(CCCC(=O)OCc2cccc(-c3nnn[n-]3)c2F)cc1 ZINC000826191672 608444658 /nfs/dbraw/zinc/44/46/58/608444658.db2.gz MQLAAOFAADFXLR-UHFFFAOYSA-N -1 3 370.384 3.081 20 0 FGADHM COc1ccc(CCCC(=O)OCc2cccc(-c3nn[n-]n3)c2F)cc1 ZINC000826191672 608444660 /nfs/dbraw/zinc/44/46/60/608444660.db2.gz MQLAAOFAADFXLR-UHFFFAOYSA-N -1 3 370.384 3.081 20 0 FGADHM Cc1ccc(/C=C\CC(=O)OCc2cccc(-c3nnn[n-]3)c2F)cc1 ZINC000826285762 608451299 /nfs/dbraw/zinc/45/12/99/608451299.db2.gz JIMYEKXCHDJAPB-RQOWECAXSA-N -1 3 352.369 3.461 20 0 FGADHM Cc1ccc(/C=C\CC(=O)OCc2cccc(-c3nn[n-]n3)c2F)cc1 ZINC000826285762 608451301 /nfs/dbraw/zinc/45/13/01/608451301.db2.gz JIMYEKXCHDJAPB-RQOWECAXSA-N -1 3 352.369 3.461 20 0 FGADHM CC(C)(C)[C@H](OC(=O)C=Cc1ccccc1-c1nnn[n-]1)C(F)(F)F ZINC000824071520 608454534 /nfs/dbraw/zinc/45/45/34/608454534.db2.gz JNZIGACWMFMVCQ-CKXPSTMWSA-N -1 3 354.332 3.400 20 0 FGADHM CC(C)(C)[C@H](OC(=O)C=Cc1ccccc1-c1nn[n-]n1)C(F)(F)F ZINC000824071520 608454535 /nfs/dbraw/zinc/45/45/35/608454535.db2.gz JNZIGACWMFMVCQ-CKXPSTMWSA-N -1 3 354.332 3.400 20 0 FGADHM O=C(C=Cc1ccc2[nH]ccc2c1)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826400482 608455274 /nfs/dbraw/zinc/45/52/74/608455274.db2.gz AAAYMKNNCZGQMW-ALCCZGGFSA-N -1 3 363.352 3.244 20 0 FGADHM O=C(C=Cc1ccc2[nH]ccc2c1)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826400482 608455276 /nfs/dbraw/zinc/45/52/76/608455276.db2.gz AAAYMKNNCZGQMW-ALCCZGGFSA-N -1 3 363.352 3.244 20 0 FGADHM Clc1cnccc1CN1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826353978 608464345 /nfs/dbraw/zinc/46/43/45/608464345.db2.gz LLKZHDVFCCBABV-UHFFFAOYSA-N -1 3 352.829 3.204 20 0 FGADHM C[C@H](NCc1ncc(-c2cccs2)o1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824635047 608468014 /nfs/dbraw/zinc/46/80/14/608468014.db2.gz YCMNHWBQMJCFHH-NSHDSACASA-N -1 3 352.423 3.434 20 0 FGADHM C[C@H](NCc1ncc(-c2cccs2)o1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824635047 608468015 /nfs/dbraw/zinc/46/80/15/608468015.db2.gz YCMNHWBQMJCFHH-NSHDSACASA-N -1 3 352.423 3.434 20 0 FGADHM C[C@H](CC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1)c1cccnc1 ZINC000824385117 608481366 /nfs/dbraw/zinc/48/13/66/608481366.db2.gz LZMAKFZTKYJGKB-OAHLLOKOSA-N -1 3 374.448 3.071 20 0 FGADHM C[C@H](CC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1)c1cccnc1 ZINC000824385117 608481370 /nfs/dbraw/zinc/48/13/70/608481370.db2.gz LZMAKFZTKYJGKB-OAHLLOKOSA-N -1 3 374.448 3.071 20 0 FGADHM Cc1cccc(C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c1C ZINC000826295862 608481796 /nfs/dbraw/zinc/48/17/96/608481796.db2.gz BCZXZJRZZNDZJY-UHFFFAOYSA-N -1 3 359.433 3.413 20 0 FGADHM Cc1cccc(C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c1C ZINC000826295862 608481798 /nfs/dbraw/zinc/48/17/98/608481798.db2.gz BCZXZJRZZNDZJY-UHFFFAOYSA-N -1 3 359.433 3.413 20 0 FGADHM O=C(c1ccc(F)c(F)c1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826473437 608484369 /nfs/dbraw/zinc/48/43/69/608484369.db2.gz YEZLAVUVMMNFJP-UHFFFAOYSA-N -1 3 367.359 3.074 20 0 FGADHM O=C(c1ccc(F)c(F)c1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826473437 608484370 /nfs/dbraw/zinc/48/43/70/608484370.db2.gz YEZLAVUVMMNFJP-UHFFFAOYSA-N -1 3 367.359 3.074 20 0 FGADHM COc1cc(C(=O)OCc2cccc(-c3nnn[n-]3)c2)ccc1OC(C)C ZINC000826177798 608502036 /nfs/dbraw/zinc/50/20/36/608502036.db2.gz WAJYLMYYRTTXGY-UHFFFAOYSA-N -1 3 368.393 3.020 20 0 FGADHM COc1cc(C(=O)OCc2cccc(-c3nn[n-]n3)c2)ccc1OC(C)C ZINC000826177798 608502038 /nfs/dbraw/zinc/50/20/38/608502038.db2.gz WAJYLMYYRTTXGY-UHFFFAOYSA-N -1 3 368.393 3.020 20 0 FGADHM COc1ccc(OC)c(CN(Cc2ccc(-c3nnn[n-]3)o2)C(C)(C)C)c1 ZINC000826211074 608528285 /nfs/dbraw/zinc/52/82/85/608528285.db2.gz OFRZHMCPMPVTSG-UHFFFAOYSA-N -1 3 371.441 3.278 20 0 FGADHM CC(C)(C)OC(=O)c1ccccc1NC(=O)c1sccc1-c1nnn[n-]1 ZINC000824114251 608546814 /nfs/dbraw/zinc/54/68/14/608546814.db2.gz LWOMYQUDHFSCCY-UHFFFAOYSA-N -1 3 371.422 3.136 20 0 FGADHM CC(C)(C)OC(=O)c1ccccc1NC(=O)c1sccc1-c1nn[n-]n1 ZINC000824114251 608546815 /nfs/dbraw/zinc/54/68/15/608546815.db2.gz LWOMYQUDHFSCCY-UHFFFAOYSA-N -1 3 371.422 3.136 20 0 FGADHM CCc1nn(C)c(Cl)c1CN(CC)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825759612 608551413 /nfs/dbraw/zinc/55/14/13/608551413.db2.gz KSRKKMALUJRDTF-LBPRGKRZSA-N -1 3 373.892 3.399 20 0 FGADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc(-c2ccc[nH]2)cc1 ZINC000824738854 608559968 /nfs/dbraw/zinc/55/99/68/608559968.db2.gz SIEQGCIQKJDKHQ-ZDUSSCGKSA-N -1 3 374.404 3.268 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCc1cccc(OC(C)(C)C)n1 ZINC000826252504 608565180 /nfs/dbraw/zinc/56/51/80/608565180.db2.gz FUKXUKKOFLLPFL-UHFFFAOYSA-N -1 3 367.409 3.104 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCc1cccc(OC(C)(C)C)n1 ZINC000826252504 608565182 /nfs/dbraw/zinc/56/51/82/608565182.db2.gz FUKXUKKOFLLPFL-UHFFFAOYSA-N -1 3 367.409 3.104 20 0 FGADHM CC(=O)Nc1cccc(NC(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)c1C ZINC000824005519 608574486 /nfs/dbraw/zinc/57/44/86/608574486.db2.gz VYJRBNYGJJWZAQ-UHFFFAOYSA-N -1 3 370.800 3.039 20 0 FGADHM CC(=O)Nc1cccc(NC(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)c1C ZINC000824005519 608574487 /nfs/dbraw/zinc/57/44/87/608574487.db2.gz VYJRBNYGJJWZAQ-UHFFFAOYSA-N -1 3 370.800 3.039 20 0 FGADHM O=C(c1ccc(Cl)c(-c2nnn[n-]2)c1)N1CCCC[C@H]1c1nccs1 ZINC000826473401 608577373 /nfs/dbraw/zinc/57/73/73/608577373.db2.gz WYYZXWCMYMNHEL-ZDUSSCGKSA-N -1 3 374.857 3.344 20 0 FGADHM O=C(c1ccc(Cl)c(-c2nn[n-]n2)c1)N1CCCC[C@H]1c1nccs1 ZINC000826473401 608577374 /nfs/dbraw/zinc/57/73/74/608577374.db2.gz WYYZXWCMYMNHEL-ZDUSSCGKSA-N -1 3 374.857 3.344 20 0 FGADHM CC1(NC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)Cc2ccccc2C1 ZINC000824829541 608607565 /nfs/dbraw/zinc/60/75/65/608607565.db2.gz FQZMJEITZHGEGM-UHFFFAOYSA-N -1 3 368.828 3.199 20 0 FGADHM CC1(NC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)Cc2ccccc2C1 ZINC000824829541 608607567 /nfs/dbraw/zinc/60/75/67/608607567.db2.gz FQZMJEITZHGEGM-UHFFFAOYSA-N -1 3 368.828 3.199 20 0 FGADHM CCc1ccc(N[C@@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)cc1C ZINC000825717643 608751456 /nfs/dbraw/zinc/75/14/56/608751456.db2.gz NXTPCOVXOCKUTQ-OAHLLOKOSA-N -1 3 368.466 3.016 20 0 FGADHM CCc1ccc(N[C@@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)cc1C ZINC000825717643 608751459 /nfs/dbraw/zinc/75/14/59/608751459.db2.gz NXTPCOVXOCKUTQ-OAHLLOKOSA-N -1 3 368.466 3.016 20 0 FGADHM Brc1cccc(C2(CNc3cnccc3-c3nnn[n-]3)CC2)c1 ZINC000823831998 608783376 /nfs/dbraw/zinc/78/33/76/608783376.db2.gz HZTYXRRABCCBPL-UHFFFAOYSA-N -1 3 371.242 3.168 20 0 FGADHM Brc1cccc(C2(CNc3cnccc3-c3nn[n-]n3)CC2)c1 ZINC000823831998 608783377 /nfs/dbraw/zinc/78/33/77/608783377.db2.gz HZTYXRRABCCBPL-UHFFFAOYSA-N -1 3 371.242 3.168 20 0 FGADHM CCOC(=O)c1sc(C=Cc2ccc(F)c(-c3nnn[n-]3)c2)nc1C ZINC000825577709 608879281 /nfs/dbraw/zinc/87/92/81/608879281.db2.gz ZHGIPSOTBMKESG-ALCCZGGFSA-N -1 3 359.386 3.118 20 0 FGADHM CCOC(=O)c1sc(C=Cc2ccc(F)c(-c3nn[n-]n3)c2)nc1C ZINC000825577709 608879284 /nfs/dbraw/zinc/87/92/84/608879284.db2.gz ZHGIPSOTBMKESG-ALCCZGGFSA-N -1 3 359.386 3.118 20 0 FGADHM O=C(c1cc(-c2nnn[n-]2)cs1)N1CCC[C@@H]1/C=C/c1ccccc1 ZINC000826470510 609139652 /nfs/dbraw/zinc/13/96/52/609139652.db2.gz SKTGNMQREMUOOG-XVJNWHFHSA-N -1 3 351.435 3.246 20 0 FGADHM O=C(c1cc(-c2nn[n-]n2)cs1)N1CCC[C@@H]1/C=C/c1ccccc1 ZINC000826470510 609139654 /nfs/dbraw/zinc/13/96/54/609139654.db2.gz SKTGNMQREMUOOG-XVJNWHFHSA-N -1 3 351.435 3.246 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1CCO[C@@H](CCC)C1 ZINC000825332298 609156227 /nfs/dbraw/zinc/15/62/27/609156227.db2.gz GRPWQMQDLAXANV-CABCVRRESA-N -1 3 372.473 3.222 20 0 FGADHM CC[C@H](C)Oc1cc(C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)ccn1 ZINC000825075181 609157984 /nfs/dbraw/zinc/15/79/84/609157984.db2.gz MZDMWPMRPYPEMQ-JTQLQIEISA-N -1 3 372.816 3.345 20 0 FGADHM CC[C@H](C)Oc1cc(C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)ccn1 ZINC000825075181 609157985 /nfs/dbraw/zinc/15/79/85/609157985.db2.gz MZDMWPMRPYPEMQ-JTQLQIEISA-N -1 3 372.816 3.345 20 0 FGADHM C[C@H]1CC[C@@H](C(F)(F)F)CN1C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000824906944 609158179 /nfs/dbraw/zinc/15/81/79/609158179.db2.gz FSRYMUKRYJVANT-DTWKUNHWSA-N -1 3 372.326 3.201 20 0 FGADHM C[C@H]1CC[C@@H](C(F)(F)F)CN1C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000824906944 609158180 /nfs/dbraw/zinc/15/81/80/609158180.db2.gz FSRYMUKRYJVANT-DTWKUNHWSA-N -1 3 372.326 3.201 20 0 FGADHM Cc1ccc(C(=O)Nc2c(-c3nnn[n-]3)c(C)c(C)n2-c2ccccc2)o1 ZINC000826282427 609165006 /nfs/dbraw/zinc/16/50/06/609165006.db2.gz OMSVIUXWQQEIDB-UHFFFAOYSA-N -1 3 362.393 3.428 20 0 FGADHM Cc1ccc(C(=O)Nc2c(-c3nn[n-]n3)c(C)c(C)n2-c2ccccc2)o1 ZINC000826282427 609165007 /nfs/dbraw/zinc/16/50/07/609165007.db2.gz OMSVIUXWQQEIDB-UHFFFAOYSA-N -1 3 362.393 3.428 20 0 FGADHM Cc1ccoc1C(=O)Nc1c(-c2nnn[n-]2)c(C)c(C)n1-c1ccccc1 ZINC000826315446 609168751 /nfs/dbraw/zinc/16/87/51/609168751.db2.gz JZGFGHWOKVZZML-UHFFFAOYSA-N -1 3 362.393 3.428 20 0 FGADHM Cc1ccoc1C(=O)Nc1c(-c2nn[n-]n2)c(C)c(C)n1-c1ccccc1 ZINC000826315446 609168753 /nfs/dbraw/zinc/16/87/53/609168753.db2.gz JZGFGHWOKVZZML-UHFFFAOYSA-N -1 3 362.393 3.428 20 0 FGADHM CCNc1ccc(-c2nn[n-]n2)cc1NCc1noc(-c2ccsc2)n1 ZINC000825480977 609179031 /nfs/dbraw/zinc/17/90/31/609179031.db2.gz PCVFLTXZJCIGCH-UHFFFAOYSA-N -1 3 368.426 3.022 20 0 FGADHM CCCCCN(CCCOC)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000825270593 609179932 /nfs/dbraw/zinc/17/99/32/609179932.db2.gz ADUJGBGWYJIZRG-HNNXBMFYSA-N -1 3 374.489 3.166 20 0 FGADHM CCCCCN(CCCOC)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000825270593 609179933 /nfs/dbraw/zinc/17/99/33/609179933.db2.gz ADUJGBGWYJIZRG-HNNXBMFYSA-N -1 3 374.489 3.166 20 0 FGADHM CCCCCc1ccc(NC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000825276355 609185069 /nfs/dbraw/zinc/18/50/69/609185069.db2.gz XAIFADMIBCTZID-SFHVURJKSA-N -1 3 365.437 3.272 20 0 FGADHM CCCCCc1ccc(NC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825276355 609185071 /nfs/dbraw/zinc/18/50/71/609185071.db2.gz XAIFADMIBCTZID-SFHVURJKSA-N -1 3 365.437 3.272 20 0 FGADHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N1Cc2ccccc2C[C@H]1c1ccccc1 ZINC000826469546 609219381 /nfs/dbraw/zinc/21/93/81/609219381.db2.gz KHWRMQOIZPAGLY-IBGZPJMESA-N -1 3 370.416 3.135 20 0 FGADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1Cc2ccccc2C[C@H]1c1ccccc1 ZINC000826469546 609219382 /nfs/dbraw/zinc/21/93/82/609219382.db2.gz KHWRMQOIZPAGLY-IBGZPJMESA-N -1 3 370.416 3.135 20 0 FGADHM Cc1nc(NCc2ccc(-c3nnn[n-]3)s2)ccc1Br ZINC000826327636 609266174 /nfs/dbraw/zinc/26/61/74/609266174.db2.gz OQWKGJHYCSTJRJ-UHFFFAOYSA-N -1 3 351.233 3.006 20 0 FGADHM Fc1cccc(Cc2nnc(NCc3cc(-c4nnn[n-]4)cs3)s2)c1 ZINC000826377104 609266593 /nfs/dbraw/zinc/26/65/93/609266593.db2.gz FBKHGVVQQCLWOF-UHFFFAOYSA-N -1 3 373.442 3.122 20 0 FGADHM Fc1cccc(Cc2nnc(NCc3cc(-c4nn[n-]n4)cs3)s2)c1 ZINC000826377104 609266594 /nfs/dbraw/zinc/26/65/94/609266594.db2.gz FBKHGVVQQCLWOF-UHFFFAOYSA-N -1 3 373.442 3.122 20 0 FGADHM COCCCOc1ccccc1N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826157337 609277065 /nfs/dbraw/zinc/27/70/65/609277065.db2.gz RIXFXVGELKIGAH-AWEZNQCLSA-N -1 3 353.426 3.455 20 0 FGADHM COCCCOc1ccccc1N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826157337 609277067 /nfs/dbraw/zinc/27/70/67/609277067.db2.gz RIXFXVGELKIGAH-AWEZNQCLSA-N -1 3 353.426 3.455 20 0 FGADHM C[C@@H](Nc1ccc(N2CCOC[C@@H]2C)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824656114 609279215 /nfs/dbraw/zinc/27/92/15/609279215.db2.gz HNYTXBVFYYNTOI-LSDHHAIUSA-N -1 3 364.453 3.265 20 0 FGADHM C[C@@H](Nc1ccc(N2CCOC[C@@H]2C)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824656114 609279217 /nfs/dbraw/zinc/27/92/17/609279217.db2.gz HNYTXBVFYYNTOI-LSDHHAIUSA-N -1 3 364.453 3.265 20 0 FGADHM COc1cc(OC)c(OC)cc1N[C@@H](C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826181273 609279812 /nfs/dbraw/zinc/27/98/12/609279812.db2.gz SFJNYTNZDPPPOI-JTQLQIEISA-N -1 3 373.388 3.205 20 0 FGADHM COc1cc(OC)c(OC)cc1N[C@@H](C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826181273 609279813 /nfs/dbraw/zinc/27/98/13/609279813.db2.gz SFJNYTNZDPPPOI-JTQLQIEISA-N -1 3 373.388 3.205 20 0 FGADHM C[C@@H](OC(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1nc(C2CC2)cs1 ZINC000824712875 609283368 /nfs/dbraw/zinc/28/33/68/609283368.db2.gz DTJRBFTUGDSKJJ-SNVBAGLBSA-N -1 3 355.423 3.048 20 0 FGADHM C[C@@H](OC(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1nc(C2CC2)cs1 ZINC000824712875 609283370 /nfs/dbraw/zinc/28/33/70/609283370.db2.gz DTJRBFTUGDSKJJ-SNVBAGLBSA-N -1 3 355.423 3.048 20 0 FGADHM O[C@H](c1ccccc1NCc1cc(-c2nnn[n-]2)ccc1F)C(F)(F)F ZINC000826504952 609286097 /nfs/dbraw/zinc/28/60/97/609286097.db2.gz ISMKQGOXPZVBSS-CQSZACIVSA-N -1 3 367.306 3.214 20 0 FGADHM O[C@H](c1ccccc1NCc1cc(-c2nn[n-]n2)ccc1F)C(F)(F)F ZINC000826504952 609286098 /nfs/dbraw/zinc/28/60/98/609286098.db2.gz ISMKQGOXPZVBSS-CQSZACIVSA-N -1 3 367.306 3.214 20 0 FGADHM CSc1ccccc1COC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000826231241 609292262 /nfs/dbraw/zinc/29/22/62/609292262.db2.gz CUJFZFFGGXQXJF-GFCCVEGCSA-N -1 3 370.434 3.099 20 0 FGADHM CSc1ccccc1COC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000826231241 609292264 /nfs/dbraw/zinc/29/22/64/609292264.db2.gz CUJFZFFGGXQXJF-GFCCVEGCSA-N -1 3 370.434 3.099 20 0 FGADHM C[C@@H](OC(=O)C1(C)CCCCCC1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000824714423 609295261 /nfs/dbraw/zinc/29/52/61/609295261.db2.gz MOTDBKWQKBLZGH-CYBMUJFWSA-N -1 3 371.441 3.097 20 0 FGADHM C[C@@H](OC(=O)C1(C)CCCCCC1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000824714423 609295263 /nfs/dbraw/zinc/29/52/63/609295263.db2.gz MOTDBKWQKBLZGH-CYBMUJFWSA-N -1 3 371.441 3.097 20 0 FGADHM O=C(c1ccc(Cl)c(-c2nnn[n-]2)c1)N1CC[C@@H](c2ccccc2)C1 ZINC000826473156 609299069 /nfs/dbraw/zinc/29/90/69/609299069.db2.gz MSLNFNQWDHWBIB-CQSZACIVSA-N -1 3 353.813 3.150 20 0 FGADHM O=C(c1ccc(Cl)c(-c2nn[n-]n2)c1)N1CC[C@@H](c2ccccc2)C1 ZINC000826473156 609299071 /nfs/dbraw/zinc/29/90/71/609299071.db2.gz MSLNFNQWDHWBIB-CQSZACIVSA-N -1 3 353.813 3.150 20 0 FGADHM CC[C@H](C)n1nc(C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)cc1C ZINC000825081330 609314625 /nfs/dbraw/zinc/31/46/25/609314625.db2.gz INIYTTHIXNSDAZ-NSHDSACASA-N -1 3 370.461 3.151 20 0 FGADHM CC[C@H](C)n1nc(C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)cc1C ZINC000825081330 609314627 /nfs/dbraw/zinc/31/46/27/609314627.db2.gz INIYTTHIXNSDAZ-NSHDSACASA-N -1 3 370.461 3.151 20 0 FGADHM CC(C)Oc1ccc(NC(=O)[C@@H](F)Cc2ccccc2)cc1-c1nnn[n-]1 ZINC000824324293 609317579 /nfs/dbraw/zinc/31/75/79/609317579.db2.gz KCYOEWDZUJAVRX-INIZCTEOSA-N -1 3 369.400 3.173 20 0 FGADHM CC(C)Oc1ccc(NC(=O)[C@@H](F)Cc2ccccc2)cc1-c1nn[n-]n1 ZINC000824324293 609317580 /nfs/dbraw/zinc/31/75/80/609317580.db2.gz KCYOEWDZUJAVRX-INIZCTEOSA-N -1 3 369.400 3.173 20 0 FGADHM Cc1nnc(N[C@@H]2CC=C(c3ccc(F)cc3)CC2)c(-c2nnn[n-]2)c1C ZINC000826336484 609320825 /nfs/dbraw/zinc/32/08/25/609320825.db2.gz ZYFAIYBDQOBBBW-MRXNPFEDSA-N -1 3 365.416 3.461 20 0 FGADHM Cc1nnc(N[C@@H]2CC=C(c3ccc(F)cc3)CC2)c(-c2nn[n-]n2)c1C ZINC000826336484 609320827 /nfs/dbraw/zinc/32/08/27/609320827.db2.gz ZYFAIYBDQOBBBW-MRXNPFEDSA-N -1 3 365.416 3.461 20 0 FGADHM CSCCCNC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826229266 609320906 /nfs/dbraw/zinc/32/09/06/609320906.db2.gz XENYXRSLTDJRHH-UHFFFAOYSA-N -1 3 369.450 3.142 20 0 FGADHM CSCCCNC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826229266 609320908 /nfs/dbraw/zinc/32/09/08/609320908.db2.gz XENYXRSLTDJRHH-UHFFFAOYSA-N -1 3 369.450 3.142 20 0 FGADHM Cc1sc(NC(=O)CN(C)[C@H](C)c2ccccc2)c(-c2nnn[n-]2)c1C ZINC000826349518 609322630 /nfs/dbraw/zinc/32/26/30/609322630.db2.gz KPSQYWBFGUCMNY-GFCCVEGCSA-N -1 3 370.482 3.177 20 0 FGADHM Cc1sc(NC(=O)CN(C)[C@H](C)c2ccccc2)c(-c2nn[n-]n2)c1C ZINC000826349518 609322632 /nfs/dbraw/zinc/32/26/32/609322632.db2.gz KPSQYWBFGUCMNY-GFCCVEGCSA-N -1 3 370.482 3.177 20 0 FGADHM CC(C)(C)C[C@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)C(F)(F)F ZINC000824087561 609323459 /nfs/dbraw/zinc/32/34/59/609323459.db2.gz XCNIIDDBWUBFFT-YXVBKTCISA-N -1 3 367.375 3.363 20 0 FGADHM CC(C)(C)C[C@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)C(F)(F)F ZINC000824087561 609323456 /nfs/dbraw/zinc/32/34/56/609323456.db2.gz XCNIIDDBWUBFFT-YXVBKTCISA-N -1 3 367.375 3.363 20 0 FGADHM C[C@@H](CSCC(=O)NCc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000824450078 609330177 /nfs/dbraw/zinc/33/01/77/609330177.db2.gz RNZLJMCFCUERDP-AWEZNQCLSA-N -1 3 367.478 3.020 20 0 FGADHM C[C@@H](CSCC(=O)NCc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000824450078 609330179 /nfs/dbraw/zinc/33/01/79/609330179.db2.gz RNZLJMCFCUERDP-AWEZNQCLSA-N -1 3 367.478 3.020 20 0 FGADHM CCc1cc(NC(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)ccc1C ZINC000825700533 609330940 /nfs/dbraw/zinc/33/09/40/609330940.db2.gz JLOWWZSQXALUGC-CYBMUJFWSA-N -1 3 351.410 3.144 20 0 FGADHM CCc1cc(NC(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)ccc1C ZINC000825700533 609330942 /nfs/dbraw/zinc/33/09/42/609330942.db2.gz JLOWWZSQXALUGC-CYBMUJFWSA-N -1 3 351.410 3.144 20 0 FGADHM C[C@@H](NCc1ccn(C2CCCC2)n1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824626501 609343901 /nfs/dbraw/zinc/34/39/01/609343901.db2.gz PHKCNBDLFGPOKA-GFCCVEGCSA-N -1 3 355.421 3.168 20 0 FGADHM C[C@@H](NCc1ccn(C2CCCC2)n1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824626501 609343902 /nfs/dbraw/zinc/34/39/02/609343902.db2.gz PHKCNBDLFGPOKA-GFCCVEGCSA-N -1 3 355.421 3.168 20 0 FGADHM CC(C)Cn1ncc(NCc2ccc(-c3nnn[n-]3)cc2F)c1C(F)F ZINC000824284684 609344050 /nfs/dbraw/zinc/34/40/50/609344050.db2.gz MSQHAMRYSXRKPV-UHFFFAOYSA-N -1 3 365.363 3.408 20 0 FGADHM CC(C)Cn1ncc(NCc2ccc(-c3nn[n-]n3)cc2F)c1C(F)F ZINC000824284684 609344051 /nfs/dbraw/zinc/34/40/51/609344051.db2.gz MSQHAMRYSXRKPV-UHFFFAOYSA-N -1 3 365.363 3.408 20 0 FGADHM C[C@H]1CC[C@]2(CCN(C(=O)Nc3cc(-c4nnn[n-]4)cn3C(C)(C)C)C2)C1 ZINC000824919162 609377796 /nfs/dbraw/zinc/37/77/96/609377796.db2.gz SGAMUFCBVICJNE-DJJJIMSYSA-N -1 3 371.489 3.467 20 0 FGADHM C[C@H]1CC[C@]2(CCN(C(=O)Nc3cc(-c4nn[n-]n4)cn3C(C)(C)C)C2)C1 ZINC000824919162 609377798 /nfs/dbraw/zinc/37/77/98/609377798.db2.gz SGAMUFCBVICJNE-DJJJIMSYSA-N -1 3 371.489 3.467 20 0 FGADHM CCc1c(C)sc(NC(=O)C[C@@H]2CCO[C@H](CC)C2)c1-c1nnn[n-]1 ZINC000825686940 609382813 /nfs/dbraw/zinc/38/28/13/609382813.db2.gz CEMFRCIZNWNVKL-VXGBXAGGSA-N -1 3 363.487 3.333 20 0 FGADHM CCc1c(C)sc(NC(=O)C[C@@H]2CCO[C@H](CC)C2)c1-c1nn[n-]n1 ZINC000825686940 609382815 /nfs/dbraw/zinc/38/28/15/609382815.db2.gz CEMFRCIZNWNVKL-VXGBXAGGSA-N -1 3 363.487 3.333 20 0 FGADHM O=C(NOC1CCCC1)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826449676 609398077 /nfs/dbraw/zinc/39/80/77/609398077.db2.gz FDQAOTMFRKPMBU-UHFFFAOYSA-N -1 3 365.393 3.263 20 0 FGADHM O=C(NOC1CCCC1)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826449676 609398080 /nfs/dbraw/zinc/39/80/80/609398080.db2.gz FDQAOTMFRKPMBU-UHFFFAOYSA-N -1 3 365.393 3.263 20 0 FGADHM C[C@H]1CCN(C(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)C[C@H]1F ZINC000824953603 609401036 /nfs/dbraw/zinc/40/10/36/609401036.db2.gz GJQINDLGAVQJNE-SCLBCKFNSA-N -1 3 365.412 3.354 20 0 FGADHM C[C@H]1CCN(C(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)C[C@H]1F ZINC000824953603 609401039 /nfs/dbraw/zinc/40/10/39/609401039.db2.gz GJQINDLGAVQJNE-SCLBCKFNSA-N -1 3 365.412 3.354 20 0 FGADHM CC1(C)CC[C@@H](C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)C1 ZINC000824797177 609402957 /nfs/dbraw/zinc/40/29/57/609402957.db2.gz WRZJVLCPDXCKBG-QGZVFWFLSA-N -1 3 351.454 3.309 20 0 FGADHM CC1(C)CC[C@@H](C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC000824797177 609402958 /nfs/dbraw/zinc/40/29/58/609402958.db2.gz WRZJVLCPDXCKBG-QGZVFWFLSA-N -1 3 351.454 3.309 20 0 FGADHM Cc1ccc(N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)cc1C ZINC000826291348 609411150 /nfs/dbraw/zinc/41/11/50/609411150.db2.gz AYGIGLPFMPDUJT-GOSISDBHSA-N -1 3 362.437 3.091 20 0 FGADHM Cc1ccc(N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)cc1C ZINC000826291348 609411151 /nfs/dbraw/zinc/41/11/51/609411151.db2.gz AYGIGLPFMPDUJT-GOSISDBHSA-N -1 3 362.437 3.091 20 0 FGADHM O=C1[C@H](SCCC(F)(F)F)CCCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000826478088 609441157 /nfs/dbraw/zinc/44/11/57/609441157.db2.gz UDAJVZJHGKZBBX-GFCCVEGCSA-N -1 3 371.388 3.048 20 0 FGADHM O=C1[C@H](SCCC(F)(F)F)CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826478088 609441159 /nfs/dbraw/zinc/44/11/59/609441159.db2.gz UDAJVZJHGKZBBX-GFCCVEGCSA-N -1 3 371.388 3.048 20 0 FGADHM CCOC(=O)[C@@H](C)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825484879 609450644 /nfs/dbraw/zinc/45/06/44/609450644.db2.gz BLKMDHCPGDCRSE-ZIAGYGMSSA-N -1 3 365.437 3.136 20 0 FGADHM CCOC(=O)[C@@H](C)N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825484879 609450646 /nfs/dbraw/zinc/45/06/46/609450646.db2.gz BLKMDHCPGDCRSE-ZIAGYGMSSA-N -1 3 365.437 3.136 20 0 FGADHM Cc1noc(CCCSc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)n1 ZINC000826339469 609451271 /nfs/dbraw/zinc/45/12/71/609451271.db2.gz FYUFILWVYOEHFM-UHFFFAOYSA-N -1 3 370.360 3.302 20 0 FGADHM Cc1noc(CCCSc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)n1 ZINC000826339469 609451272 /nfs/dbraw/zinc/45/12/72/609451272.db2.gz FYUFILWVYOEHFM-UHFFFAOYSA-N -1 3 370.360 3.302 20 0 FGADHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N(Cc1ccco1)c1ccc(Cl)cc1 ZINC000826469244 609460603 /nfs/dbraw/zinc/46/06/03/609460603.db2.gz ZBRBRKVJKRDCDC-UHFFFAOYSA-N -1 3 368.784 3.288 20 0 FGADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N(Cc1ccco1)c1ccc(Cl)cc1 ZINC000826469244 609460605 /nfs/dbraw/zinc/46/06/05/609460605.db2.gz ZBRBRKVJKRDCDC-UHFFFAOYSA-N -1 3 368.784 3.288 20 0 FGADHM COc1ccc(CNc2cc(-c3nnn[n-]3)ccc2OC(C)C)cc1F ZINC000826203532 609479810 /nfs/dbraw/zinc/47/98/10/609479810.db2.gz STIYCQKGCPBJRR-UHFFFAOYSA-N -1 3 357.389 3.414 20 0 FGADHM COc1ccc(CNc2cc(-c3nn[n-]n3)ccc2OC(C)C)cc1F ZINC000826203532 609479812 /nfs/dbraw/zinc/47/98/12/609479812.db2.gz STIYCQKGCPBJRR-UHFFFAOYSA-N -1 3 357.389 3.414 20 0 FGADHM c1cc(COc2ncnc3sc4c(c32)CCCC4)cc(-c2nnn[n-]2)c1 ZINC000826516320 609480005 /nfs/dbraw/zinc/48/00/05/609480005.db2.gz GUFLKIQJAHPCHL-UHFFFAOYSA-N -1 3 364.434 3.329 20 0 FGADHM c1cc(COc2ncnc3sc4c(c32)CCCC4)cc(-c2nn[n-]n2)c1 ZINC000826516320 609480007 /nfs/dbraw/zinc/48/00/07/609480007.db2.gz GUFLKIQJAHPCHL-UHFFFAOYSA-N -1 3 364.434 3.329 20 0 FGADHM CCOC(=O)Nc1ccc(NCc2cccc(C)c2)cc1-c1nnn[n-]1 ZINC000825553459 609488432 /nfs/dbraw/zinc/48/84/32/609488432.db2.gz QPAIAHLYHQZHAT-UHFFFAOYSA-N -1 3 352.398 3.356 20 0 FGADHM CCOC(=O)Nc1ccc(NCc2cccc(C)c2)cc1-c1nn[n-]n1 ZINC000825553459 609488434 /nfs/dbraw/zinc/48/84/34/609488434.db2.gz QPAIAHLYHQZHAT-UHFFFAOYSA-N -1 3 352.398 3.356 20 0 FGADHM C[C@H]1CCC[C@H]1C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(F)(F)F ZINC000824925518 609489387 /nfs/dbraw/zinc/48/93/87/609489387.db2.gz DQONLZCQQQCVBR-SMDDNHRTSA-N -1 3 367.375 3.194 20 0 FGADHM C[C@H]1CCC[C@H]1C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(F)(F)F ZINC000824925518 609489390 /nfs/dbraw/zinc/48/93/90/609489390.db2.gz DQONLZCQQQCVBR-SMDDNHRTSA-N -1 3 367.375 3.194 20 0 FGADHM CC(C)Oc1ccc(NCc2ccc3c(c2)CCO3)cc1-c1nnn[n-]1 ZINC000824329135 609492483 /nfs/dbraw/zinc/49/24/83/609492483.db2.gz JOWHATRXACCCTM-UHFFFAOYSA-N -1 3 351.410 3.201 20 0 FGADHM CC(C)Oc1ccc(NCc2ccc3c(c2)CCO3)cc1-c1nn[n-]n1 ZINC000824329135 609492485 /nfs/dbraw/zinc/49/24/85/609492485.db2.gz JOWHATRXACCCTM-UHFFFAOYSA-N -1 3 351.410 3.201 20 0 FGADHM Fc1cc(F)c(OCc2ccc(-c3nnn[n-]3)cc2)c(Br)c1 ZINC000826372911 609504897 /nfs/dbraw/zinc/50/48/97/609504897.db2.gz RAGNIJVJWMPDHH-UHFFFAOYSA-N -1 3 367.153 3.486 20 0 FGADHM Fc1cc(F)c(OCc2ccc(-c3nn[n-]n3)cc2)c(Br)c1 ZINC000826372911 609504900 /nfs/dbraw/zinc/50/49/00/609504900.db2.gz RAGNIJVJWMPDHH-UHFFFAOYSA-N -1 3 367.153 3.486 20 0 FGADHM CCC[C@@H]1C[C@H](C(=O)N(CCC)Cc2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000825251857 609521822 /nfs/dbraw/zinc/52/18/22/609521822.db2.gz DYFVXRLWJCUAQK-QZTJIDSGSA-N -1 3 371.485 3.201 20 0 FGADHM CCC[C@@H]1C[C@H](C(=O)N(CCC)Cc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000825251857 609521824 /nfs/dbraw/zinc/52/18/24/609521824.db2.gz DYFVXRLWJCUAQK-QZTJIDSGSA-N -1 3 371.485 3.201 20 0 FGADHM CC[C@@H]1C[C@H](C(=O)N(CC(C)C)c2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000825176352 609523715 /nfs/dbraw/zinc/52/37/15/609523715.db2.gz QKMNEBINOHPMRW-NVXWUHKLSA-N -1 3 357.458 3.061 20 0 FGADHM CC[C@@H]1C[C@H](C(=O)N(CC(C)C)c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000825176352 609523716 /nfs/dbraw/zinc/52/37/16/609523716.db2.gz QKMNEBINOHPMRW-NVXWUHKLSA-N -1 3 357.458 3.061 20 0 FGADHM Cc1c(Cl)cnc(NCc2cccnc2OC(C)C)c1-c1nnn[n-]1 ZINC000826240236 609536295 /nfs/dbraw/zinc/53/62/95/609536295.db2.gz JRWHRXIGKPREIJ-UHFFFAOYSA-N -1 3 359.821 3.018 20 0 FGADHM Cc1c(Cl)cnc(NCc2cccnc2OC(C)C)c1-c1nn[n-]n1 ZINC000826240236 609536297 /nfs/dbraw/zinc/53/62/97/609536297.db2.gz JRWHRXIGKPREIJ-UHFFFAOYSA-N -1 3 359.821 3.018 20 0 FGADHM Cc1ccnc(N2CCc3[nH]c4ccc(Cl)cc4c3C2)c1-c1nnn[n-]1 ZINC000826311540 609538286 /nfs/dbraw/zinc/53/82/86/609538286.db2.gz HNICDLFUPFGDMH-UHFFFAOYSA-N -1 3 365.828 3.268 20 0 FGADHM Cc1ccnc(N2CCc3[nH]c4ccc(Cl)cc4c3C2)c1-c1nn[n-]n1 ZINC000826311540 609538287 /nfs/dbraw/zinc/53/82/87/609538287.db2.gz HNICDLFUPFGDMH-UHFFFAOYSA-N -1 3 365.828 3.268 20 0 FGADHM Cc1c(Cl)cnc(N2CCC(c3nccs3)CC2)c1-c1nnn[n-]1 ZINC000826238043 609543979 /nfs/dbraw/zinc/54/39/79/609543979.db2.gz UTEKLUOZZCDTPN-UHFFFAOYSA-N -1 3 361.862 3.064 20 0 FGADHM Cc1c(Cl)cnc(N2CCC(c3nccs3)CC2)c1-c1nn[n-]n1 ZINC000826238043 609543981 /nfs/dbraw/zinc/54/39/81/609543981.db2.gz UTEKLUOZZCDTPN-UHFFFAOYSA-N -1 3 361.862 3.064 20 0 FGADHM COc1ccc(CNc2nccc(C)c2-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826204281 609545592 /nfs/dbraw/zinc/54/55/92/609545592.db2.gz FHZMKWSLONLFAK-UHFFFAOYSA-N -1 3 364.331 3.210 20 0 FGADHM COc1ccc(CNc2nccc(C)c2-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826204281 609545593 /nfs/dbraw/zinc/54/55/93/609545593.db2.gz FHZMKWSLONLFAK-UHFFFAOYSA-N -1 3 364.331 3.210 20 0 FGADHM Cc1c(Cl)cnc(NCc2coc(-c3ccccc3)n2)c1-c1nnn[n-]1 ZINC000826240322 609559932 /nfs/dbraw/zinc/55/99/32/609559932.db2.gz NAGJPFVHAUONDR-UHFFFAOYSA-N -1 3 367.800 3.491 20 0 FGADHM Cc1c(Cl)cnc(NCc2coc(-c3ccccc3)n2)c1-c1nn[n-]n1 ZINC000826240322 609559933 /nfs/dbraw/zinc/55/99/33/609559933.db2.gz NAGJPFVHAUONDR-UHFFFAOYSA-N -1 3 367.800 3.491 20 0 FGADHM Cc1c(Cl)cnc(NCCc2nc3ccccc3o2)c1-c1nnn[n-]1 ZINC000826240274 609566461 /nfs/dbraw/zinc/56/64/61/609566461.db2.gz KYSVCVBLBLEUDA-UHFFFAOYSA-N -1 3 355.789 3.019 20 0 FGADHM Cc1c(Cl)cnc(NCCc2nc3ccccc3o2)c1-c1nn[n-]n1 ZINC000826240274 609566462 /nfs/dbraw/zinc/56/64/62/609566462.db2.gz KYSVCVBLBLEUDA-UHFFFAOYSA-N -1 3 355.789 3.019 20 0 FGADHM Cc1nccn1-c1ccc([C@@H](C)Nc2nccc(C)c2-c2nnn[n-]2)cc1 ZINC000826312068 609571924 /nfs/dbraw/zinc/57/19/24/609571924.db2.gz VJOPXJWCEZKWJJ-CYBMUJFWSA-N -1 3 360.425 3.237 20 0 FGADHM Cc1nccn1-c1ccc([C@@H](C)Nc2nccc(C)c2-c2nn[n-]n2)cc1 ZINC000826312068 609571927 /nfs/dbraw/zinc/57/19/27/609571927.db2.gz VJOPXJWCEZKWJJ-CYBMUJFWSA-N -1 3 360.425 3.237 20 0 FGADHM COc1cccc2c1CC[C@@H]2Nc1ncc(Cl)c(C)c1-c1nnn[n-]1 ZINC000826218240 609575141 /nfs/dbraw/zinc/57/51/41/609575141.db2.gz VETBVMCXMIGHTB-ZDUSSCGKSA-N -1 3 356.817 3.332 20 0 FGADHM COc1cccc2c1CC[C@@H]2Nc1ncc(Cl)c(C)c1-c1nn[n-]n1 ZINC000826218240 609575143 /nfs/dbraw/zinc/57/51/43/609575143.db2.gz VETBVMCXMIGHTB-ZDUSSCGKSA-N -1 3 356.817 3.332 20 0 FGADHM Cc1c(Cl)cnc(N[C@@H](C)C[C@H](O)c2ccccc2)c1-c1nnn[n-]1 ZINC000826239162 609575511 /nfs/dbraw/zinc/57/55/11/609575511.db2.gz ZDBRVNOQYSJWEQ-HZMBPMFUSA-N -1 3 358.833 3.148 20 0 FGADHM Cc1c(Cl)cnc(N[C@@H](C)C[C@H](O)c2ccccc2)c1-c1nn[n-]n1 ZINC000826239162 609575513 /nfs/dbraw/zinc/57/55/13/609575513.db2.gz ZDBRVNOQYSJWEQ-HZMBPMFUSA-N -1 3 358.833 3.148 20 0 FGADHM Cc1c(Cl)cnc(N2CCC(OC(C)(C)C)CC2)c1-c1nnn[n-]1 ZINC000826237551 609575599 /nfs/dbraw/zinc/57/55/99/609575599.db2.gz DBWHDXAPHJPCKX-UHFFFAOYSA-N -1 3 350.854 3.007 20 0 FGADHM Cc1c(Cl)cnc(N2CCC(OC(C)(C)C)CC2)c1-c1nn[n-]n1 ZINC000826237551 609575600 /nfs/dbraw/zinc/57/56/00/609575600.db2.gz DBWHDXAPHJPCKX-UHFFFAOYSA-N -1 3 350.854 3.007 20 0 FGADHM Cc1c(Cl)cnc(N2CCC(Cc3cccnc3)CC2)c1-c1nnn[n-]1 ZINC000826237632 609584681 /nfs/dbraw/zinc/58/46/81/609584681.db2.gz GUYDTYVHYDCOOJ-UHFFFAOYSA-N -1 3 369.860 3.078 20 0 FGADHM Cc1c(Cl)cnc(N2CCC(Cc3cccnc3)CC2)c1-c1nn[n-]n1 ZINC000826237632 609584683 /nfs/dbraw/zinc/58/46/83/609584683.db2.gz GUYDTYVHYDCOOJ-UHFFFAOYSA-N -1 3 369.860 3.078 20 0 FGADHM CS[C@@H](CNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)C(C)(C)C ZINC000826225569 609590324 /nfs/dbraw/zinc/59/03/24/609590324.db2.gz FHFSVIZCBUQTDG-JTQLQIEISA-N -1 3 360.409 3.470 20 0 FGADHM CS[C@@H](CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)C(C)(C)C ZINC000826225569 609590327 /nfs/dbraw/zinc/59/03/27/609590327.db2.gz FHFSVIZCBUQTDG-JTQLQIEISA-N -1 3 360.409 3.470 20 0 FGADHM O=C(Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1)C1=CCC1 ZINC000826455637 609590420 /nfs/dbraw/zinc/59/04/20/609590420.db2.gz XRHDGCLSEXTRFK-UHFFFAOYSA-N -1 3 351.341 3.457 20 0 FGADHM O=C(Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1)C1=CCC1 ZINC000826455637 609590422 /nfs/dbraw/zinc/59/04/22/609590422.db2.gz XRHDGCLSEXTRFK-UHFFFAOYSA-N -1 3 351.341 3.457 20 0 FGADHM COc1cccc([C@@H]2C[C@H](C)CN2c2nccc(C)c2-c2nnn[n-]2)c1 ZINC000826215300 609592798 /nfs/dbraw/zinc/59/27/98/609592798.db2.gz LEWUVLBYZUTKRR-LRDDRELGSA-N -1 3 350.426 3.166 20 0 FGADHM COc1cccc([C@@H]2C[C@H](C)CN2c2nccc(C)c2-c2nn[n-]n2)c1 ZINC000826215300 609592800 /nfs/dbraw/zinc/59/28/00/609592800.db2.gz LEWUVLBYZUTKRR-LRDDRELGSA-N -1 3 350.426 3.166 20 0 FGADHM CC[C@H]1C[C@H](C(=O)N(CC)c2ccc(-c3nnn[n-]3)c(Cl)c2)CCO1 ZINC000825176391 609599235 /nfs/dbraw/zinc/59/92/35/609599235.db2.gz RQBWIQADGNFKNX-YPMHNXCESA-N -1 3 363.849 3.078 20 0 FGADHM CC[C@H]1C[C@H](C(=O)N(CC)c2ccc(-c3nn[n-]n3)c(Cl)c2)CCO1 ZINC000825176391 609599237 /nfs/dbraw/zinc/59/92/37/609599237.db2.gz RQBWIQADGNFKNX-YPMHNXCESA-N -1 3 363.849 3.078 20 0 FGADHM COc1cc(C(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)ccc1F ZINC000826177571 609612737 /nfs/dbraw/zinc/61/27/37/609612737.db2.gz NFQIHLYGZJYFJF-UHFFFAOYSA-N -1 3 362.748 3.025 20 0 FGADHM COc1cc(C(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)ccc1F ZINC000826177571 609612738 /nfs/dbraw/zinc/61/27/38/609612738.db2.gz NFQIHLYGZJYFJF-UHFFFAOYSA-N -1 3 362.748 3.025 20 0 FGADHM CC(C)Oc1ccc(C(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)cn1 ZINC000824324415 609613134 /nfs/dbraw/zinc/61/31/34/609613134.db2.gz NXIIVPAXMNSGTF-UHFFFAOYSA-N -1 3 373.800 3.059 20 0 FGADHM CC(C)Oc1ccc(C(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)cn1 ZINC000824324415 609613135 /nfs/dbraw/zinc/61/31/35/609613135.db2.gz NXIIVPAXMNSGTF-UHFFFAOYSA-N -1 3 373.800 3.059 20 0 FGADHM O=C(Cc1ccc(F)c(F)c1)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826422617 609613985 /nfs/dbraw/zinc/61/39/85/609613985.db2.gz GERLIMCZXWDBJW-UHFFFAOYSA-N -1 3 364.739 3.084 20 0 FGADHM O=C(Cc1ccc(F)c(F)c1)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826422617 609613986 /nfs/dbraw/zinc/61/39/86/609613986.db2.gz GERLIMCZXWDBJW-UHFFFAOYSA-N -1 3 364.739 3.084 20 0 FGADHM O=C(C=C1CCSCC1)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826399941 609617605 /nfs/dbraw/zinc/61/76/05/609617605.db2.gz KUEVJLSZJDHVML-UHFFFAOYSA-N -1 3 350.831 3.017 20 0 FGADHM O=C(C=C1CCSCC1)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826399941 609617606 /nfs/dbraw/zinc/61/76/06/609617606.db2.gz KUEVJLSZJDHVML-UHFFFAOYSA-N -1 3 350.831 3.017 20 0 FGADHM C[C@@H](OC(=O)c1ccc([O-])cc1)C(=O)Nc1ncc(Cl)cc1Cl ZINC000003507793 695540601 /nfs/dbraw/zinc/54/06/01/695540601.db2.gz CTILVHLCXOXXSP-MRVPVSSYSA-N -1 3 355.177 3.278 20 0 FGADHM CC(=O)c1ccc(NC(=O)COC(=O)c2cc(Cl)c(Cl)[n-]2)cc1 ZINC000011808945 695602539 /nfs/dbraw/zinc/60/25/39/695602539.db2.gz SLLPYZDETZMIHV-UHFFFAOYSA-N -1 3 355.177 3.320 20 0 FGADHM C[C@H](OC(=O)c1cc(Cl)c(Cl)[n-]1)c1nc2ccccc2c(=O)[nH]1 ZINC000011810041 695602730 /nfs/dbraw/zinc/60/27/30/695602730.db2.gz ZUTKYUSLZIYNAO-ZETCQYMHSA-N -1 3 352.177 3.476 20 0 FGADHM O=C(COC(=O)c1cc(Cl)c(Cl)[n-]1)N[C@H]1CCOc2ccccc21 ZINC000021730841 695647783 /nfs/dbraw/zinc/64/77/83/695647783.db2.gz ANANAVUJBNFKKU-NSHDSACASA-N -1 3 369.204 3.118 20 0 FGADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3cccc(C)c3N)nc(=O)c2c1C ZINC000022179214 695651224 /nfs/dbraw/zinc/65/12/24/695651224.db2.gz YVFIRZNWFJLNLU-JTQLQIEISA-N -1 3 357.435 3.410 20 0 FGADHM O=C(Cn1c(=S)[n-]nc1-c1ccc(Cl)cc1)Nc1ncccc1O ZINC000022264749 695651538 /nfs/dbraw/zinc/65/15/38/695651538.db2.gz DGCWRRIUTNHHHL-UHFFFAOYSA-N -1 3 361.814 3.000 20 0 FGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)CCSc1ccccc1F ZINC000024892070 695670983 /nfs/dbraw/zinc/67/09/83/695670983.db2.gz FVDDSXYZCSFCFB-UHFFFAOYSA-N -1 3 368.455 3.318 20 0 FGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)CSc1ccc(Cl)cc1 ZINC000024884332 695671010 /nfs/dbraw/zinc/67/10/10/695671010.db2.gz GLRUHWYAJCBECJ-UHFFFAOYSA-N -1 3 370.883 3.442 20 0 FGADHM Cc1sc2ncn([N-]C(=O)c3ccc(F)cc3Cl)c(=O)c2c1C ZINC000027388214 695693134 /nfs/dbraw/zinc/69/31/34/695693134.db2.gz NAFHAYFDAKWFAC-UHFFFAOYSA-N -1 3 351.790 3.251 20 0 FGADHM O=S(=O)([N-]CCCOCc1ccccc1)c1cccc(Cl)c1F ZINC000032415651 695744336 /nfs/dbraw/zinc/74/43/36/695744336.db2.gz OXLWBFULNIDOEB-UHFFFAOYSA-N -1 3 357.834 3.364 20 0 FGADHM CN(C)[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1F)c1cccs1 ZINC000047031702 695850172 /nfs/dbraw/zinc/85/01/72/695850172.db2.gz MANLAORKJFSUBZ-LBPRGKRZSA-N -1 3 362.879 3.122 20 0 FGADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H](c1ccc(F)cc1)C(C)C ZINC000047332194 695857246 /nfs/dbraw/zinc/85/72/46/695857246.db2.gz CJIWWRHJFTWOPN-ZDUSSCGKSA-N -1 3 359.854 3.197 20 0 FGADHM CCOc1ccc([C@H](C)[N-]S(=O)(=O)c2c(F)cccc2F)cc1OC ZINC000047607890 695863012 /nfs/dbraw/zinc/86/30/12/695863012.db2.gz ITOPCSLXUXGTTF-NSHDSACASA-N -1 3 371.405 3.412 20 0 FGADHM CN(Cc1cc(Br)cs1)C(=O)c1cc2c(cc1[O-])OCO2 ZINC000053482067 695929876 /nfs/dbraw/zinc/92/98/76/695929876.db2.gz MJFPWSINUDQBSL-UHFFFAOYSA-N -1 3 370.224 3.217 20 0 FGADHM CCCNC(=O)N[N-]C(=O)c1cccnc1Sc1ccc(C)c(C)c1 ZINC000068931420 695945413 /nfs/dbraw/zinc/94/54/13/695945413.db2.gz NBJUSJJBBSJECB-UHFFFAOYSA-N -1 3 358.467 3.204 20 0 FGADHM CCCNC(=O)N[N-]C(=O)c1cnn(-c2cccc(Cl)c2)c1C(C)C ZINC000068931111 695945503 /nfs/dbraw/zinc/94/55/03/695945503.db2.gz MIERJNCFGDDUJI-UHFFFAOYSA-N -1 3 363.849 3.003 20 0 FGADHM Cc1cccc(S(=O)(=O)NN=c2[n-]cc(C(F)(F)F)cc2Cl)c1 ZINC000069118690 695947379 /nfs/dbraw/zinc/94/73/79/695947379.db2.gz GZOFOFHUVJNIEN-UHFFFAOYSA-N -1 3 365.764 3.368 20 0 FGADHM CC(C)COC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000101949193 700472033 /nfs/dbraw/zinc/47/20/33/700472033.db2.gz GDUAEZBGVMFRHQ-UHFFFAOYSA-N -1 3 354.834 3.489 20 0 FGADHM COCCOC(=O)c1c(C)[nH]c(C(=O)Nc2cc(Cl)ccc2[O-])c1C ZINC000109127047 700530462 /nfs/dbraw/zinc/53/04/62/700530462.db2.gz ZGXZWNPUFVAVBV-UHFFFAOYSA-N -1 3 366.801 3.046 20 0 FGADHM O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1nnc2ccccc2c1[O-] ZINC000110063588 700538253 /nfs/dbraw/zinc/53/82/53/700538253.db2.gz LVUKXZBYTDLVLY-UHFFFAOYSA-N -1 3 351.259 3.333 20 0 FGADHM CC(=O)[C@H]1CC(C(=O)Nc2cc(Cl)ccc2[O-])=NN1c1ccccc1 ZINC000110227763 700539886 /nfs/dbraw/zinc/53/98/86/700539886.db2.gz RLGZUSDIOZKGQO-MRXNPFEDSA-N -1 3 357.797 3.208 20 0 FGADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)OC)cc2)cc1 ZINC000111867081 700551570 /nfs/dbraw/zinc/55/15/70/700551570.db2.gz PQWYPUHRAJNDKO-UHFFFAOYSA-N -1 3 350.396 3.064 20 0 FGADHM O=C(c1cc2c(cc1[O-])OCO2)N1CCc2ccc(Br)cc21 ZINC000112403250 700559575 /nfs/dbraw/zinc/55/95/75/700559575.db2.gz HTQRDFHETUMKOB-UHFFFAOYSA-N -1 3 362.179 3.086 20 0 FGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCCC(C)(C)C2)ccc1F ZINC000112684690 700562235 /nfs/dbraw/zinc/56/22/35/700562235.db2.gz AIJLXEZQSZUFJJ-UHFFFAOYSA-N -1 3 370.490 3.165 20 0 FGADHM Cc1ccc(CN(CCN(C)C)C(=O)c2ccc3[n-]c(=S)oc3c2)o1 ZINC000118882248 700615734 /nfs/dbraw/zinc/61/57/34/700615734.db2.gz SIVHISQCKMCJHI-UHFFFAOYSA-N -1 3 359.451 3.222 20 0 FGADHM C[C@](O)(C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)c1ccsc1 ZINC000121143545 700666808 /nfs/dbraw/zinc/66/68/08/700666808.db2.gz NUTFIPSPKHPAKT-ZDUSSCGKSA-N -1 3 366.291 3.241 20 0 FGADHM O=S(=O)([N-]CC[C@H](O)c1ccccc1)c1c(Cl)cccc1Cl ZINC000123140450 700700908 /nfs/dbraw/zinc/70/09/08/700700908.db2.gz KOLLEHLCKSQMMP-AWEZNQCLSA-N -1 3 360.262 3.395 20 0 FGADHM O=C(Nc1ccc(Br)cc1[O-])c1ccc2c(c1)CCC(=O)N2 ZINC000125995411 700742309 /nfs/dbraw/zinc/74/23/09/700742309.db2.gz GWFRIZMSNCDSEH-UHFFFAOYSA-N -1 3 361.195 3.292 20 0 FGADHM CC(C)CCN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1)C1CC1 ZINC000129093101 700783080 /nfs/dbraw/zinc/78/30/80/700783080.db2.gz BBWUYADLRRHPKT-UHFFFAOYSA-N -1 3 370.490 3.163 20 0 FGADHM O=S(=O)([N-]c1ccc(-n2ccnc2)cc1)c1cccc2ncccc21 ZINC000129292088 700786330 /nfs/dbraw/zinc/78/63/30/700786330.db2.gz HHMMMGLRAZFRGY-UHFFFAOYSA-N -1 3 350.403 3.221 20 0 FGADHM O=S(=O)([N-][C@@H]1CCOC2(CCCC2)C1)c1cnc(Cl)c(Cl)c1 ZINC000134647627 704828709 /nfs/dbraw/zinc/82/87/09/704828709.db2.gz DBXPVERTRBXUNK-SNVBAGLBSA-N -1 3 365.282 3.159 20 0 FGADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000135556377 704849391 /nfs/dbraw/zinc/84/93/91/704849391.db2.gz FFRSSZSJWTVJAY-NEPJUHHUSA-N -1 3 353.348 3.098 20 0 FGADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000135556377 704849394 /nfs/dbraw/zinc/84/93/94/704849394.db2.gz FFRSSZSJWTVJAY-NEPJUHHUSA-N -1 3 353.348 3.098 20 0 FGADHM O=S(=O)([N-]CCc1cnn(-c2ccccc2)c1)c1ccc(Cl)s1 ZINC000142132364 704883447 /nfs/dbraw/zinc/88/34/47/704883447.db2.gz VNSVNUCKQDADJB-UHFFFAOYSA-N -1 3 367.883 3.108 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2Cl)cc1[N+](=O)[O-] ZINC000147478720 704894589 /nfs/dbraw/zinc/89/45/89/704894589.db2.gz QGJKQLVFCORKMG-UHFFFAOYSA-N -1 3 371.758 3.266 20 0 FGADHM O=C(Nc1ccc(Cl)cc1[O-])c1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000153609031 705005550 /nfs/dbraw/zinc/00/55/50/705005550.db2.gz WXTVFWIZCRPQTA-INIZCTEOSA-N -1 3 360.797 3.415 20 0 FGADHM COc1ccc(N[C@@H]2CCc3c2cc(F)cc3F)cc1[N-]S(C)(=O)=O ZINC000154553471 705038738 /nfs/dbraw/zinc/03/87/38/705038738.db2.gz DKWNYZKXLYOPAT-OAHLLOKOSA-N -1 3 368.405 3.444 20 0 FGADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1cnn(Cc2ccc(Cl)cc2)c1 ZINC000156147984 705103270 /nfs/dbraw/zinc/10/32/70/705103270.db2.gz XRBKVPSEUXAWDL-OAHLLOKOSA-N -1 3 350.806 3.165 20 0 FGADHM O=C([N-]O[C@@H]1CCCCO1)Nc1cnn(Cc2ccc(Cl)cc2)c1 ZINC000156147984 705103275 /nfs/dbraw/zinc/10/32/75/705103275.db2.gz XRBKVPSEUXAWDL-OAHLLOKOSA-N -1 3 350.806 3.165 20 0 FGADHM Cc1ncc(/C=C/C(=O)NCc2ccc([O-])c(Br)c2)s1 ZINC000156519455 705120620 /nfs/dbraw/zinc/12/06/20/705120620.db2.gz LVUREFBVNWUUKR-HWKANZROSA-N -1 3 353.241 3.249 20 0 FGADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)CSCc3cscn3)c2)n1 ZINC000157760762 705163295 /nfs/dbraw/zinc/16/32/95/705163295.db2.gz QXROHZVJXRBFQY-UHFFFAOYSA-N -1 3 373.459 3.041 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCSCC3)cc2)cc1F ZINC000157838379 705165277 /nfs/dbraw/zinc/16/52/77/705165277.db2.gz DETPOHPQRVMPOR-UHFFFAOYSA-N -1 3 366.483 3.488 20 0 FGADHM C[C@@H](C[C@H](O)c1cccs1)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000158116488 705173447 /nfs/dbraw/zinc/17/34/47/705173447.db2.gz CWLAFUIQTYCCLP-CABZTGNLSA-N -1 3 363.863 3.331 20 0 FGADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)C[C@H](O)c2cccs2)c(F)cc1F ZINC000158173543 705176034 /nfs/dbraw/zinc/17/60/34/705176034.db2.gz RDOCURUEURKDCE-GWCFXTLKSA-N -1 3 361.435 3.125 20 0 FGADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000159050330 705208574 /nfs/dbraw/zinc/20/85/74/705208574.db2.gz SRLSCNPGKIZASO-HUUCEWRRSA-N -1 3 367.902 3.072 20 0 FGADHM O=c1[n-]nc(S[C@H]2CCc3c2cccc3Cl)n1C[C@@H]1CCCO1 ZINC000162182940 705290895 /nfs/dbraw/zinc/29/08/95/705290895.db2.gz OSCQWWCYFYTHFM-HZMBPMFUSA-N -1 3 351.859 3.183 20 0 FGADHM Cc1ccc(-c2cc(C(=O)OCc3nccn3CC(F)(F)F)n[n-]2)o1 ZINC000171493164 705386045 /nfs/dbraw/zinc/38/60/45/705386045.db2.gz CSIBMFCUVRCFPL-UHFFFAOYSA-N -1 3 354.288 3.094 20 0 FGADHM Cc1ccc(-c2cc(C(=O)OCc3nccn3CC(F)(F)F)[n-]n2)o1 ZINC000171493164 705386050 /nfs/dbraw/zinc/38/60/50/705386050.db2.gz CSIBMFCUVRCFPL-UHFFFAOYSA-N -1 3 354.288 3.094 20 0 FGADHM C[C@H](CCc1cccn1C)[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000173609618 705465863 /nfs/dbraw/zinc/46/58/63/705465863.db2.gz PBVIBMCDQNYFSR-SNVBAGLBSA-N -1 3 362.282 3.027 20 0 FGADHM O=C(Cc1cccc(I)c1)[N-]OCc1ccccc1 ZINC000177755995 705638552 /nfs/dbraw/zinc/63/85/52/705638552.db2.gz DGXVKRHPXHBQLJ-UHFFFAOYSA-N -1 3 367.186 3.082 20 0 FGADHM O=C(Nc1ccc(Cl)cc1[O-])[C@H]1CCCC[C@H]1C(=O)N1CCCC1 ZINC000179639260 705708226 /nfs/dbraw/zinc/70/82/26/705708226.db2.gz JGUJSBCPJWGWJT-UONOGXRCSA-N -1 3 350.846 3.413 20 0 FGADHM CN1CCN(Cc2cccc(C(=O)Nc3cccc(Cl)c3[O-])c2)CC1 ZINC000179726257 705711921 /nfs/dbraw/zinc/71/19/21/705711921.db2.gz BPCKJWWSWFNLNC-UHFFFAOYSA-N -1 3 359.857 3.045 20 0 FGADHM COC(=O)c1cc(Cl)cc(NCc2nc(C(F)(F)F)cc(=O)[n-]2)c1 ZINC000179765626 705714162 /nfs/dbraw/zinc/71/41/62/705714162.db2.gz YHUIBKPCZUWHAQ-UHFFFAOYSA-N -1 3 361.707 3.253 20 0 FGADHM Cc1cc(C)[n-]c(=NNC(=O)N[C@H]2CCCOc3cc(Cl)ccc32)n1 ZINC000181245449 705780700 /nfs/dbraw/zinc/78/07/00/705780700.db2.gz LQDWWPMZKOJJCH-AWEZNQCLSA-N -1 3 361.833 3.287 20 0 FGADHM Cc1ccc(-c2nc(NC(=O)c3cccnc3SC(F)F)n[n-]2)o1 ZINC000181879015 705813551 /nfs/dbraw/zinc/81/35/51/705813551.db2.gz ZZZNJQBFONRUEV-UHFFFAOYSA-N -1 3 351.338 3.335 20 0 FGADHM Cc1cc(C(=O)N[N-]C(=O)c2cccc(Br)c2Cl)c(C)o1 ZINC000182358931 705836910 /nfs/dbraw/zinc/83/69/10/705836910.db2.gz VZCUSDZVHKBCDW-UHFFFAOYSA-N -1 3 371.618 3.387 20 0 FGADHM Cc1cnc([C@@H](C)C[N-]S(=O)(=O)c2ccc(Cl)nc2Cl)s1 ZINC000186726035 712725476 /nfs/dbraw/zinc/72/54/76/712725476.db2.gz IZCVVEQUNNCHOD-ZETCQYMHSA-N -1 3 366.295 3.235 20 0 FGADHM COc1ccc([O-])c(C(=O)NOCc2ccc(F)cc2Br)c1 ZINC000188919629 712781054 /nfs/dbraw/zinc/78/10/54/712781054.db2.gz IDEYWOYBGZFHHM-UHFFFAOYSA-N -1 3 370.174 3.164 20 0 FGADHM Cc1cc(C)[n-]c(=NNC(=O)Nc2ccc(Cl)cc2-n2cccn2)n1 ZINC000189936307 712804275 /nfs/dbraw/zinc/80/42/75/712804275.db2.gz RHMYABQIFADFPE-UHFFFAOYSA-N -1 3 357.805 3.081 20 0 FGADHM C[C@@H]1CN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)CC(C)(C)O1 ZINC000194500644 713523680 /nfs/dbraw/zinc/52/36/80/713523680.db2.gz HVCAIFOZFHERCR-LLVKDONJSA-N -1 3 359.451 3.244 20 0 FGADHM COC(=O)c1sc2[n-]c(C(Cl)=Cc3cccnc3)nc(=O)c2c1C ZINC000229927129 713576616 /nfs/dbraw/zinc/57/66/16/713576616.db2.gz VKITXAMQLAQZFU-UXBLZVDNSA-N -1 3 361.810 3.212 20 0 FGADHM CCc1cc(=O)[n-]c(CN(C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)n1 ZINC000246552512 713625876 /nfs/dbraw/zinc/62/58/76/713625876.db2.gz KGSJRECRXAJZDN-RHSMWYFYSA-N -1 3 368.264 3.142 20 0 FGADHM CCc1ccc(S(=O)(=O)[N-]N=c2ccc(C(F)(F)F)c[nH]2)s1 ZINC000298838275 713780809 /nfs/dbraw/zinc/78/08/09/713780809.db2.gz AJCGAVBXHKSLMO-UHFFFAOYSA-N -1 3 351.375 3.030 20 0 FGADHM CC(C)(C)OCC[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000308556625 713795584 /nfs/dbraw/zinc/79/55/84/713795584.db2.gz UVHXMSNKGNQKLU-UHFFFAOYSA-N -1 3 370.696 3.196 20 0 FGADHM CC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C)cnc2Br)cc1 ZINC000314014339 713804192 /nfs/dbraw/zinc/80/41/92/713804192.db2.gz REAIJACHBSBZCA-UHFFFAOYSA-N -1 3 369.240 3.156 20 0 FGADHM O=S(=O)([N-]Cc1cnc2n1CCCC2)c1c(Cl)cccc1Cl ZINC000375116040 713968708 /nfs/dbraw/zinc/96/87/08/713968708.db2.gz WTYWPHMZFHYMAG-UHFFFAOYSA-N -1 3 360.266 3.005 20 0 FGADHM COc1ccc(NC(=O)c2cc3c(cc2[O-])OCO3)c(C(F)(F)F)c1 ZINC000436564008 714026695 /nfs/dbraw/zinc/02/66/95/714026695.db2.gz NTFPABQYZJWOQR-UHFFFAOYSA-N -1 3 355.268 3.401 20 0 FGADHM C[C@@H]1SCCN(C(=O)c2cc3c(cc2[O-])OCO3)[C@H]1c1ccccc1 ZINC000436539604 714026706 /nfs/dbraw/zinc/02/67/06/714026706.db2.gz UXQPIEDLROWJPU-KPZWWZAWSA-N -1 3 357.431 3.440 20 0 FGADHM O=C(Cc1ccc(Cl)cn1)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000509071115 714122867 /nfs/dbraw/zinc/12/28/67/714122867.db2.gz PGGPSPYFWIGJEP-UHFFFAOYSA-N -1 3 353.769 3.448 20 0 FGADHM CC[C@H](C)C(=O)N=c1cc(-c2ccc(I)cc2)[n-][nH]1 ZINC000521921074 714156265 /nfs/dbraw/zinc/15/62/65/714156265.db2.gz HHJSZQLMLIDXEJ-VIFPVBQESA-N -1 3 369.206 3.088 20 0 FGADHM CSc1nc(NC(=O)c2ccc(NC(=O)c3cccs3)cc2)n[n-]1 ZINC000522124874 714171406 /nfs/dbraw/zinc/17/14/06/714171406.db2.gz TUXQYNHGGFONML-UHFFFAOYSA-N -1 3 359.436 3.093 20 0 FGADHM Cc1ccc(OCC[N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)c(C)c1 ZINC000525187106 714328608 /nfs/dbraw/zinc/32/86/08/714328608.db2.gz XUVKAXUFLGHBHH-UHFFFAOYSA-N -1 3 359.369 3.078 20 0 FGADHM CC(C)(C[N-]S(=O)(=O)c1cnc(-c2ccccc2)nc1)C(F)(F)F ZINC000575850463 714459522 /nfs/dbraw/zinc/45/95/22/714459522.db2.gz KRKSHVRNUXKACC-UHFFFAOYSA-N -1 3 359.373 3.010 20 0 FGADHM Cc1c(C(=O)[N-]c2nnc(C(F)(F)F)s2)nnn1-c1ccc(C)cc1 ZINC000615282442 714517438 /nfs/dbraw/zinc/51/74/38/714517438.db2.gz MAMUFLWGMXJPDO-UHFFFAOYSA-N -1 3 368.344 3.007 20 0 FGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1[nH]c2ccc(F)cc2c1Cl ZINC000615346151 714523378 /nfs/dbraw/zinc/52/33/78/714523378.db2.gz RVCOIXFEHUEPEJ-UHFFFAOYSA-N -1 3 356.748 3.393 20 0 FGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1[nH]c2ccc(F)cc2c1Cl ZINC000615346151 714523381 /nfs/dbraw/zinc/52/33/81/714523381.db2.gz RVCOIXFEHUEPEJ-UHFFFAOYSA-N -1 3 356.748 3.393 20 0 FGADHM CCOC(=O)c1ncc(NC(=O)[C@H](Oc2cccc(Cl)c2)C(C)C)[n-]1 ZINC000617871515 714698417 /nfs/dbraw/zinc/69/84/17/714698417.db2.gz BTODJZGWAFUDLF-CQSZACIVSA-N -1 3 365.817 3.282 20 0 FGADHM CCOC(=O)c1nc(NC(=O)[C@H](Oc2cccc(Cl)c2)C(C)C)c[n-]1 ZINC000617871515 714698419 /nfs/dbraw/zinc/69/84/19/714698419.db2.gz BTODJZGWAFUDLF-CQSZACIVSA-N -1 3 365.817 3.282 20 0 FGADHM CCOC(=O)c1ncc(NC(=O)[C@H](SCc2ccccc2)C(C)C)[n-]1 ZINC000618919744 714787471 /nfs/dbraw/zinc/78/74/71/714787471.db2.gz OMXNPXSINGYGLH-OAHLLOKOSA-N -1 3 361.467 3.483 20 0 FGADHM CCOC(=O)c1nc(NC(=O)[C@H](SCc2ccccc2)C(C)C)c[n-]1 ZINC000618919744 714787474 /nfs/dbraw/zinc/78/74/74/714787474.db2.gz OMXNPXSINGYGLH-OAHLLOKOSA-N -1 3 361.467 3.483 20 0 FGADHM CCOC(=O)c1ncc(NC(=O)CCCSc2ccc(OC)cc2)[n-]1 ZINC000619449268 714836519 /nfs/dbraw/zinc/83/65/19/714836519.db2.gz ZGAFUTLWLKIRFF-UHFFFAOYSA-N -1 3 363.439 3.106 20 0 FGADHM CCOC(=O)c1nc(NC(=O)CCCSc2ccc(OC)cc2)c[n-]1 ZINC000619449268 714836521 /nfs/dbraw/zinc/83/65/21/714836521.db2.gz ZGAFUTLWLKIRFF-UHFFFAOYSA-N -1 3 363.439 3.106 20 0 FGADHM CCOC(=O)c1ncc(NC(=O)c2nc(C)sc2-c2ccccc2)[n-]1 ZINC000619446234 714836748 /nfs/dbraw/zinc/83/67/48/714836748.db2.gz AOTZZPLFYXCTQX-UHFFFAOYSA-N -1 3 356.407 3.271 20 0 FGADHM CCOC(=O)c1nc(NC(=O)c2nc(C)sc2-c2ccccc2)c[n-]1 ZINC000619446234 714836751 /nfs/dbraw/zinc/83/67/51/714836751.db2.gz AOTZZPLFYXCTQX-UHFFFAOYSA-N -1 3 356.407 3.271 20 0 FGADHM CCOC(=O)c1ncc(NC(=O)C(C)(C)c2cccc(Cl)c2F)[n-]1 ZINC000619447636 714836783 /nfs/dbraw/zinc/83/67/83/714836783.db2.gz IJBWAIFICGEYON-UHFFFAOYSA-N -1 3 353.781 3.295 20 0 FGADHM CCOC(=O)c1nc(NC(=O)C(C)(C)c2cccc(Cl)c2F)c[n-]1 ZINC000619447636 714836785 /nfs/dbraw/zinc/83/67/85/714836785.db2.gz IJBWAIFICGEYON-UHFFFAOYSA-N -1 3 353.781 3.295 20 0 FGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)c2ccccc2Cl)c(F)c1 ZINC000619473397 714841018 /nfs/dbraw/zinc/84/10/18/714841018.db2.gz MEASFHRZMZVURU-JTQLQIEISA-N -1 3 371.817 3.305 20 0 FGADHM COc1cc(C(=O)NC[C@H]2CCN2Cc2ccccc2)cc(Cl)c1[O-] ZINC000620768363 714935909 /nfs/dbraw/zinc/93/59/09/714935909.db2.gz YJNAOISXPRHFRH-OAHLLOKOSA-N -1 3 360.841 3.059 20 0 FGADHM Cc1nc(-c2ccc(C)cc2C)sc1C(=O)[N-]c1nn2cnnc2s1 ZINC000621450449 714992860 /nfs/dbraw/zinc/99/28/60/714992860.db2.gz MEKPZTXOWHIXDD-UHFFFAOYSA-N -1 3 370.463 3.487 20 0 FGADHM O=C([N-]c1nc(-c2cccs2)ns1)c1cc(N2CCCCC2)ncn1 ZINC000621947384 715040119 /nfs/dbraw/zinc/04/01/19/715040119.db2.gz 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O=C([O-])c1cc(NC[C@H]2CCCCN2Cc2cccc(Cl)c2)ccn1 ZINC000650767194 718725106 /nfs/dbraw/zinc/72/51/06/718725106.db2.gz MALAWSDILJMDMD-QGZVFWFLSA-N -1 3 359.857 3.322 20 0 FGADHM O=S(=O)([N-]CCC1(CO)CCC1)c1ccc(Cl)cc1C(F)(F)F ZINC000651908240 718888129 /nfs/dbraw/zinc/88/81/29/718888129.db2.gz YNUXHNHIWCGSDD-UHFFFAOYSA-N -1 3 371.808 3.190 20 0 FGADHM CC(C)Oc1cc(C(=O)NCc2ncccc2[O-])ccc1Br ZINC000651948930 718893207 /nfs/dbraw/zinc/89/32/07/718893207.db2.gz ZYMHNEIMGTVSQN-UHFFFAOYSA-N -1 3 365.227 3.267 20 0 FGADHM CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000654387531 719196330 /nfs/dbraw/zinc/19/63/30/719196330.db2.gz BTWHXYPSSWGCLP-UHFFFAOYSA-N -1 3 351.328 3.351 20 0 FGADHM O=S(=O)([N-]C1(c2cccc(OC(F)(F)F)c2)CC1)c1cscn1 ZINC000655660961 719320207 /nfs/dbraw/zinc/32/02/07/719320207.db2.gz PFRMDUPWIZODSH-UHFFFAOYSA-N -1 3 364.370 3.009 20 0 FGADHM Cc1c(Cl)cccc1S(=O)(=O)[N-][C@H](C[C@H]1CCCO1)C(F)(F)F ZINC000655661049 719320233 /nfs/dbraw/zinc/32/02/33/719320233.db2.gz 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CO[C@@H](CS(=O)(=O)[N-]c1cc(NC(C)=O)ccc1Cl)C1CCCC1 ZINC000656617662 719420293 /nfs/dbraw/zinc/42/02/93/719420293.db2.gz PITLLRWICJPBGS-INIZCTEOSA-N -1 3 374.890 3.245 20 0 FGADHM Cc1ncc([N-]S(=O)(=O)Cc2cc(F)ccc2Cl)c(C2CC2)n1 ZINC000656738620 719459685 /nfs/dbraw/zinc/45/96/85/719459685.db2.gz RTBUZGISZFDOHT-UHFFFAOYSA-N -1 3 355.822 3.397 20 0 FGADHM CC(C)(C)N1CC[C@@H]1C[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000657033984 719547335 /nfs/dbraw/zinc/54/73/35/719547335.db2.gz OEAIWJXAOCFKPU-MRVPVSSYSA-N -1 3 357.328 3.206 20 0 FGADHM C[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)c1ccccn1 ZINC000657039845 719551153 /nfs/dbraw/zinc/55/11/53/719551153.db2.gz PVHQQBXSEMHNOY-SNVBAGLBSA-N -1 3 362.348 3.322 20 0 FGADHM C[C@]1(C[N-]S(=O)(=O)c2cccc(Br)c2Cl)CC1(F)F ZINC000657154617 719577161 /nfs/dbraw/zinc/57/71/61/719577161.db2.gz CLKGMGIFNPBZJS-SNVBAGLBSA-N -1 3 374.634 3.426 20 0 FGADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2Cc2cnn(C)c2)sc1Cl ZINC000657173618 719585370 /nfs/dbraw/zinc/58/53/70/719585370.db2.gz 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CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1CC12CCC2 ZINC000675325859 721748128 /nfs/dbraw/zinc/74/81/28/721748128.db2.gz SIMJVTBPGFQRPS-JTQLQIEISA-N -1 3 362.373 3.206 20 0 FGADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)C[C@H](OC)C3)cc1C ZINC000783861051 724797153 /nfs/dbraw/zinc/79/71/53/724797153.db2.gz CHSAWYUWQSGQDT-QGZVFWFLSA-N -1 3 361.463 3.226 20 0 FGADHM COC(=O)Nc1ccc(C(=O)OCc2csc([C@H](C)OC)n2)cc1[O-] ZINC000783925249 724804012 /nfs/dbraw/zinc/80/40/12/724804012.db2.gz UHKPNDJWIWFCPV-VIFPVBQESA-N -1 3 366.395 3.091 20 0 FGADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]CC1(CO)CCCCC1 ZINC000676865120 721838301 /nfs/dbraw/zinc/83/83/01/721838301.db2.gz YEKOMTIWWUZTEG-UHFFFAOYSA-N -1 3 355.431 3.101 20 0 FGADHM Cc1cc(C[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)ncn1 ZINC000677422655 721893395 /nfs/dbraw/zinc/89/33/95/721893395.db2.gz UDOVXQLNILUUDO-UHFFFAOYSA-N -1 3 366.657 3.224 20 0 FGADHM CCc1ccc([N-]S(=O)(=O)c2ccc(OC)c(NC(C)=O)c2)cc1C ZINC000678301984 721950893 /nfs/dbraw/zinc/95/08/93/721950893.db2.gz VEJAKGCTERHVHY-UHFFFAOYSA-N -1 3 362.451 3.325 20 0 FGADHM Cn1nc(C[N-]S(=O)(=O)c2cccc(Cl)c2Cl)c2ccccc21 ZINC000680539341 722130183 /nfs/dbraw/zinc/13/01/83/722130183.db2.gz BBBOPSUSVPIORH-UHFFFAOYSA-N -1 3 370.261 3.359 20 0 FGADHM CCOc1cnc(C(=O)[N-]c2nc(-c3ccc(SC)cc3)ns2)cn1 ZINC000681663752 722216037 /nfs/dbraw/zinc/21/60/37/722216037.db2.gz XGLQGAUIGPOCEW-UHFFFAOYSA-N -1 3 373.463 3.368 20 0 FGADHM Cc1cc(S(=O)(=O)[N-][C@H](CO)[C@@H](C)c2ccccc2)sc1Cl ZINC000682730129 722263855 /nfs/dbraw/zinc/26/38/55/722263855.db2.gz ODYRRMLULWFDGB-WCQYABFASA-N -1 3 359.900 3.153 20 0 FGADHM Cc1nc(CS(=O)(=O)[N-][C@@H](c2nccs2)c2ccccc2)cs1 ZINC000682833960 722266726 /nfs/dbraw/zinc/26/67/26/722266726.db2.gz LXIJUVCUTPFNFG-CQSZACIVSA-N -1 3 365.505 3.117 20 0 FGADHM CC(C)CCN(C)C(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000683467632 722297417 /nfs/dbraw/zinc/29/74/17/722297417.db2.gz KVSNZOSVWFVPOP-UHFFFAOYSA-N -1 3 351.244 3.409 20 0 FGADHM O=C(c1c[n-]c2ccc(Br)cc2c1=O)N1CCC2(CC2)CC1 ZINC000683484338 722297849 /nfs/dbraw/zinc/29/78/49/722297849.db2.gz QRVQLIQXSIDVFE-UHFFFAOYSA-N -1 3 361.239 3.307 20 0 FGADHM Cc1ccc(CS(=O)(=O)[N-]Cc2c(F)c(F)cc(F)c2F)c(F)c1 ZINC000684581569 722347846 /nfs/dbraw/zinc/34/78/46/722347846.db2.gz OFNQCTHXXHRSIE-UHFFFAOYSA-N -1 3 365.323 3.310 20 0 FGADHM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)C[C@H]2CCCC(F)(F)C2)o1 ZINC000685297337 722380801 /nfs/dbraw/zinc/38/08/01/722380801.db2.gz NBTQBPSJIVGMMW-GXTWGEPZSA-N -1 3 365.442 3.274 20 0 FGADHM COC[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)c(C)c1)c1ccco1 ZINC000685593410 722392683 /nfs/dbraw/zinc/39/26/83/722392683.db2.gz QDXDITBRIAPEAX-CYBMUJFWSA-N -1 3 363.357 3.273 20 0 FGADHM COCc1cc(Cl)cc(S(=O)(=O)[N-]C2(C(F)F)CCCC2)c1 ZINC000685599618 722393227 /nfs/dbraw/zinc/39/32/27/722393227.db2.gz GUMPCFUMPSELLB-UHFFFAOYSA-N -1 3 353.818 3.343 20 0 FGADHM CS(=O)(=O)[N-]c1cc(C(=O)OCc2cccc(Cl)c2)ccc1F ZINC000725993308 722427729 /nfs/dbraw/zinc/42/77/29/722427729.db2.gz LNSVDLBNTHSTQN-UHFFFAOYSA-N -1 3 357.790 3.208 20 0 FGADHM 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364.224 3.089 20 0 FGADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]C(C1CCCC1)C1CCCC1 ZINC000735503903 722517004 /nfs/dbraw/zinc/51/70/04/722517004.db2.gz ATUCYFXCNYYCMR-UHFFFAOYSA-N -1 3 359.923 3.409 20 0 FGADHM O=C([N-][C@H]1CS(=O)(=O)c2ccccc21)C(F)(F)c1cccc(Cl)c1 ZINC000736157561 722522071 /nfs/dbraw/zinc/52/20/71/722522071.db2.gz WYYNLIBIBDOTFP-ZDUSSCGKSA-N -1 3 371.792 3.077 20 0 FGADHM O=S(=O)([N-]CCCCOCCc1ccccc1)c1cccnc1Cl ZINC000738359798 722529905 /nfs/dbraw/zinc/52/99/05/722529905.db2.gz BWQYNYAIADULAL-UHFFFAOYSA-N -1 3 368.886 3.053 20 0 FGADHM CCCc1ccc([N-]S(=O)(=O)c2ccc(N3CCOC3=O)cc2)cc1 ZINC000740809582 722538008 /nfs/dbraw/zinc/53/80/08/722538008.db2.gz CJRXWQVGUVPVKB-UHFFFAOYSA-N -1 3 360.435 3.397 20 0 FGADHM O=S(=O)([N-][C@H]1C[C@@H]1Cc1ccccc1)c1ccc(Cl)nc1Cl ZINC000742309681 722554945 /nfs/dbraw/zinc/55/49/45/722554945.db2.gz SWGFRSDKCMXAIM-RYUDHWBXSA-N -1 3 357.262 3.298 20 0 FGADHM CC[C@H](C)C[C@H](C)NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000742719570 722559284 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ZINC000787848102 725039482 /nfs/dbraw/zinc/03/94/82/725039482.db2.gz LEZGKZLTJBUGQM-UHFFFAOYSA-N -1 3 351.418 3.188 20 0 FGADHM O=S(=O)([N-]Cc1cc(-c2ccccc2)no1)c1cnc(Cl)c(F)c1 ZINC000787918805 725040597 /nfs/dbraw/zinc/04/05/97/725040597.db2.gz ATKCBZXOWIOLIM-UHFFFAOYSA-N -1 3 367.789 3.008 20 0 FGADHM O=S(=O)([N-]CCc1c[nH]c2ccc(F)cc12)c1cnc(Cl)c(F)c1 ZINC000805005552 725043263 /nfs/dbraw/zinc/04/32/63/725043263.db2.gz BVEOICROLCGSLA-UHFFFAOYSA-N -1 3 371.796 3.016 20 0 FGADHM O=S(=O)([N-]C1(c2cccc(Cl)c2)CC1)c1cnc(Cl)c(F)c1 ZINC000805014906 725044048 /nfs/dbraw/zinc/04/40/48/725044048.db2.gz PCIPCTCHQVOMCJ-UHFFFAOYSA-N -1 3 361.225 3.495 20 0 FGADHM CCC(CC)c1cc(C[N-]S(=O)(=O)c2ccc(Cl)nc2C)on1 ZINC000805015372 725044095 /nfs/dbraw/zinc/04/40/95/725044095.db2.gz GUTJSYGKBMNFNR-UHFFFAOYSA-N -1 3 357.863 3.414 20 0 FGADHM COCCCO[N-]C(=O)CCCSc1ccc(Br)cc1 ZINC000805038666 725045489 /nfs/dbraw/zinc/04/54/89/725045489.db2.gz MUZJCQDPSPYZRW-UHFFFAOYSA-N -1 3 362.289 3.406 20 0 FGADHM CCOc1cccc([C@@H]2C[C@@H]2[N-]S(=O)(=O)c2cnc(Cl)c(F)c2)c1 ZINC000805054911 725046872 /nfs/dbraw/zinc/04/68/72/725046872.db2.gz QXEDTLVPDBSEIA-ZFWWWQNUSA-N -1 3 370.833 3.107 20 0 FGADHM O=C(Nc1ccn(Cc2ccncc2)n1)c1cc2sccc2c([O-])c1 ZINC000788295284 725056018 /nfs/dbraw/zinc/05/60/18/725056018.db2.gz CPUSOILLBUSXTG-UHFFFAOYSA-N -1 3 350.403 3.499 20 0 FGADHM COC(=O)c1cnc(SCc2ccc(SC(=O)N(C)C)cc2)[n-]1 ZINC000788506131 725068857 /nfs/dbraw/zinc/06/88/57/725068857.db2.gz PTMIILCICWOIEA-UHFFFAOYSA-N -1 3 351.453 3.262 20 0 FGADHM CCC(C)(CC)[N-]S(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C ZINC000788626776 725076716 /nfs/dbraw/zinc/07/67/16/725076716.db2.gz KQDIYHGADGGSNS-UHFFFAOYSA-N -1 3 353.893 3.354 20 0 FGADHM COC(=O)c1sc(S(=O)(=O)[N-][C@@H](C)CC(C)C)c(C)c1Cl ZINC000788655156 725078885 /nfs/dbraw/zinc/07/88/85/725078885.db2.gz WDXUHCOKGWICJS-QMMMGPOBSA-N -1 3 353.893 3.209 20 0 FGADHM C[C@@H](OC(=O)c1cnn[n-]1)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000805604026 725082420 /nfs/dbraw/zinc/08/24/20/725082420.db2.gz 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O=C(O[C@@H]1CCN(CC(F)(F)F)C1=O)c1cc2cc(Cl)sc2[n-]1 ZINC000811395326 725361680 /nfs/dbraw/zinc/36/16/80/725361680.db2.gz BWQHWYWCCGSZFE-MRVPVSSYSA-N -1 3 366.748 3.203 20 0 FGADHM COC(=O)CCCO[N-]C(=O)CCC(=O)c1cc(Cl)sc1Cl ZINC000811559604 725373394 /nfs/dbraw/zinc/37/33/94/725373394.db2.gz GXMVFCUZMZZKJB-UHFFFAOYSA-N -1 3 368.238 3.019 20 0 FGADHM CCCCC[C@H](C)NC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000811853637 725383077 /nfs/dbraw/zinc/38/30/77/725383077.db2.gz HKIYSWSZHGOKIB-QWHCGFSZSA-N -1 3 351.413 3.055 20 0 FGADHM C[C@@H](CCC(C)(C)C)C(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000812274737 725392128 /nfs/dbraw/zinc/39/21/28/725392128.db2.gz KLDIOAJHHVJHGC-STQMWFEESA-N -1 3 350.425 3.366 20 0 FGADHM O=C(Cc1ccc(OCCOc2ccccc2)cc1)[N-]OC/C=C/Cl ZINC000812401955 725395834 /nfs/dbraw/zinc/39/58/34/725395834.db2.gz PDMGMWUHBBWSGN-NYYWCZLTSA-N -1 3 361.825 3.487 20 0 FGADHM O=C([N-]c1cnsn1)c1nc(-c2cccs2)n(-c2ccccc2)n1 ZINC000813375420 726866908 /nfs/dbraw/zinc/86/69/08/726866908.db2.gz 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727199592 /nfs/dbraw/zinc/19/95/92/727199592.db2.gz YEIWIGFWYQVNJJ-UHFFFAOYSA-N -1 3 371.296 3.327 20 0 FGADHM O=C(NC[C@@H]1COC2(CCCCC2)O1)c1cc([O-])cc(C(F)(F)F)c1 ZINC000816961644 727210647 /nfs/dbraw/zinc/21/06/47/727210647.db2.gz QEJDOCMWVMOCBE-CQSZACIVSA-N -1 3 359.344 3.217 20 0 FGADHM CC1([C@H]2CCCN(C(=O)c3cc([O-])cc(C(F)(F)F)c3)C2)OCCO1 ZINC000816970279 727211187 /nfs/dbraw/zinc/21/11/87/727211187.db2.gz VDIYQGYCGOTSNL-LBPRGKRZSA-N -1 3 359.344 3.026 20 0 FGADHM COCC[C@H](COC)[N-]C(=O)C(F)(F)c1cc(Cl)ccc1Cl ZINC000817451217 727253312 /nfs/dbraw/zinc/25/33/12/727253312.db2.gz BFEABZJUKHAXFP-SNVBAGLBSA-N -1 3 356.196 3.253 20 0 FGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)NC[C@H]2CCCC2(C)C)ccc1F ZINC000819174938 727354691 /nfs/dbraw/zinc/35/46/91/727354691.db2.gz OHOGPENQMGRLRA-CQSZACIVSA-N -1 3 370.490 3.069 20 0 FGADHM CSC[C@H]1CCCN(C(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)C1 ZINC000820369931 728989399 /nfs/dbraw/zinc/98/93/99/728989399.db2.gz MJOVABMDHRBHGX-JTQLQIEISA-N -1 3 352.406 3.022 20 0 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/nfs/dbraw/zinc/21/15/25/729211525.db2.gz LUFGGLAHVQBAFW-UHFFFAOYSA-N -1 3 372.734 3.226 20 0 FGADHM Brc1ccc(NCC[C@H]2CCCCO2)c(-c2nnn[n-]2)c1 ZINC000823832421 729307513 /nfs/dbraw/zinc/30/75/13/729307513.db2.gz NSDVIAJCHYJBEZ-LLVKDONJSA-N -1 3 352.236 3.000 20 0 FGADHM Brc1ccc(NCC[C@H]2CCCCO2)c(-c2nn[n-]n2)c1 ZINC000823832421 729307516 /nfs/dbraw/zinc/30/75/16/729307516.db2.gz NSDVIAJCHYJBEZ-LLVKDONJSA-N -1 3 352.236 3.000 20 0 FGADHM Brc1ccc(NCC2CCSCC2)c(-c2nnn[n-]2)c1 ZINC000823832529 729307867 /nfs/dbraw/zinc/30/78/67/729307867.db2.gz PXAZNKOFTUKTNI-UHFFFAOYSA-N -1 3 354.277 3.184 20 0 FGADHM Brc1ccc(NCC2CCSCC2)c(-c2nn[n-]n2)c1 ZINC000823832529 729307868 /nfs/dbraw/zinc/30/78/68/729307868.db2.gz PXAZNKOFTUKTNI-UHFFFAOYSA-N -1 3 354.277 3.184 20 0 FGADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)Cc2cc3cc(Cl)ccc3[nH]2)n1 ZINC000824151461 729321587 /nfs/dbraw/zinc/32/15/87/729321587.db2.gz XXFQCTIKZZALCO-UHFFFAOYSA-N -1 3 358.829 3.219 20 0 FGADHM CC(C)=C(C)C(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000824178215 729322609 /nfs/dbraw/zinc/32/26/09/729322609.db2.gz OIJNCVOHNPWTJW-UHFFFAOYSA-N -1 3 357.805 3.001 20 0 FGADHM CC(C)=C(C)C(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000824178215 729322612 /nfs/dbraw/zinc/32/26/12/729322612.db2.gz OIJNCVOHNPWTJW-UHFFFAOYSA-N -1 3 357.805 3.001 20 0 FGADHM CC(C)OCCCCNc1c(-c2nnn[n-]2)cnc2ccc(Cl)cc21 ZINC000824315727 729330461 /nfs/dbraw/zinc/33/04/61/729330461.db2.gz WHZXGJMILRHQEH-UHFFFAOYSA-N -1 3 360.849 3.107 20 0 FGADHM CC(C)OCCCCNc1c(-c2nn[n-]n2)cnc2ccc(Cl)cc21 ZINC000824315727 729330462 /nfs/dbraw/zinc/33/04/62/729330462.db2.gz WHZXGJMILRHQEH-UHFFFAOYSA-N -1 3 360.849 3.107 20 0 FGADHM C[C@H](OC(=O)c1cc(Cl)cc(Cl)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824724053 729356578 /nfs/dbraw/zinc/35/65/78/729356578.db2.gz XTFHZDRZAZAQRJ-QMMMGPOBSA-N -1 3 364.192 3.487 20 0 FGADHM C[C@H](OC(=O)c1cc(Cl)cc(Cl)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824724053 729356580 /nfs/dbraw/zinc/35/65/80/729356580.db2.gz XTFHZDRZAZAQRJ-QMMMGPOBSA-N -1 3 364.192 3.487 20 0 FGADHM COc1ccc2nc(CSc3ccc(-c4nn[n-]n4)cc3Cl)[nH]c2n1 ZINC000826213970 729406152 /nfs/dbraw/zinc/40/61/52/729406152.db2.gz UYSUAJFXXOEYMK-UHFFFAOYSA-N -1 3 373.829 3.092 20 0 FGADHM Cc1c(Cl)cnc(N[C@@H](c2cnn(C)c2)C(C)(C)C)c1-c1nnn[n-]1 ZINC000826238374 729406458 /nfs/dbraw/zinc/40/64/58/729406458.db2.gz DYAZMVYIKNEPMS-ZDUSSCGKSA-N -1 3 360.853 3.156 20 0 FGADHM Cc1c(Cl)cnc(N[C@@H](c2cnn(C)c2)C(C)(C)C)c1-c1nn[n-]n1 ZINC000826238374 729406460 /nfs/dbraw/zinc/40/64/60/729406460.db2.gz DYAZMVYIKNEPMS-ZDUSSCGKSA-N -1 3 360.853 3.156 20 0 FGADHM Cc1c(Cl)cnc(N[C@H]2CCO[C@@H](C(C)(C)C)C2)c1-c1nnn[n-]1 ZINC000826239502 729406702 /nfs/dbraw/zinc/40/67/02/729406702.db2.gz JLIUMXRVDMJTRW-CMPLNLGQSA-N -1 3 350.854 3.229 20 0 FGADHM Cc1c(Cl)cnc(N[C@H]2CCO[C@@H](C(C)(C)C)C2)c1-c1nn[n-]n1 ZINC000826239502 729406703 /nfs/dbraw/zinc/40/67/03/729406703.db2.gz JLIUMXRVDMJTRW-CMPLNLGQSA-N -1 3 350.854 3.229 20 0 FGADHM Cc1nc(CN[C@H](c2cccc(-c3nnn[n-]3)c2)C(F)(F)F)sc1C ZINC000826326564 729407157 /nfs/dbraw/zinc/40/71/57/729407157.db2.gz VKUOYLVBYPMWLG-CYBMUJFWSA-N -1 3 368.388 3.333 20 0 FGADHM Cc1nc(CN[C@H](c2cccc(-c3nn[n-]n3)c2)C(F)(F)F)sc1C ZINC000826326564 729407161 /nfs/dbraw/zinc/40/71/61/729407161.db2.gz VKUOYLVBYPMWLG-CYBMUJFWSA-N -1 3 368.388 3.333 20 0 FGADHM O=C(CCCc1ccsc1)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000826406696 729407866 /nfs/dbraw/zinc/40/78/66/729407866.db2.gz JAEXZKRKPMFGFI-UHFFFAOYSA-N -1 3 359.480 3.440 20 0 FGADHM O=C(CCCc1ccsc1)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000826406696 729407867 /nfs/dbraw/zinc/40/78/67/729407867.db2.gz JAEXZKRKPMFGFI-UHFFFAOYSA-N -1 3 359.480 3.440 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)[C@@H]1CCCCS1 ZINC000826452001 729408132 /nfs/dbraw/zinc/40/81/32/729408132.db2.gz DZQIORJVZJRRFV-NSHDSACASA-N -1 3 357.361 3.110 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)[C@@H]1CCCCS1 ZINC000826452001 729408133 /nfs/dbraw/zinc/40/81/33/729408133.db2.gz DZQIORJVZJRRFV-NSHDSACASA-N -1 3 357.361 3.110 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)C[C@]3(C)CC3(Cl)Cl)nc21 ZINC000827142996 729425461 /nfs/dbraw/zinc/42/54/61/729425461.db2.gz XRGBVFIGNMBGOS-CQSZACIVSA-N -1 3 356.209 3.262 20 0 FGADHM CCc1nnc([C@@H](C)[N-]C(=O)C(F)(F)c2ccccc2Br)[nH]1 ZINC000827530780 729431414 /nfs/dbraw/zinc/43/14/14/729431414.db2.gz OFCDTKJNKJRFJH-MRVPVSSYSA-N -1 3 373.201 3.099 20 0 FGADHM C[C@H](N[C@@H](C(=O)[O-])c1cccnc1)c1ccc(OCC(F)(F)F)cc1 ZINC000827718457 729433700 /nfs/dbraw/zinc/43/37/00/729433700.db2.gz SLHKWRZXMBGHFL-XHDPSFHLSA-N -1 3 354.328 3.499 20 0 FGADHM O=C(Cc1ccc([O-])c(F)c1)NCCSCc1ccnc(Cl)c1 ZINC000827721255 729433763 /nfs/dbraw/zinc/43/37/63/729433763.db2.gz RKJHCJVHLJJNOD-UHFFFAOYSA-N -1 3 354.834 3.172 20 0 FGADHM C[C@@H]1CCN(Cc2nccc3ccccc32)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000827851396 729435977 /nfs/dbraw/zinc/43/59/77/729435977.db2.gz UHZYHXLQKIOWJI-DOMZBBRYSA-N -1 3 351.372 3.124 20 0 FGADHM COc1ccc2c(c1)CCC(S(=O)(=O)[N-]c1cnn(CC3CC3)c1)=C2 ZINC000829872195 729518612 /nfs/dbraw/zinc/51/86/12/729518612.db2.gz LEQGSCIRXRHANK-UHFFFAOYSA-N -1 3 359.451 3.031 20 0 FGADHM COc1ccc2c(c1)CCC(S(=O)(=O)[N-]c1cnn(C)c1C1CC1)=C2 ZINC000829915577 729522874 /nfs/dbraw/zinc/52/28/74/729522874.db2.gz KBIZFJVFRBTDHT-UHFFFAOYSA-N -1 3 359.451 3.035 20 0 FGADHM O=S(=O)([N-]C12CCC(CC1)C2)c1cnc(Cl)c(Br)c1 ZINC000831080423 729615853 /nfs/dbraw/zinc/61/58/53/729615853.db2.gz BHWHVXFIQVVDDF-UHFFFAOYSA-N -1 3 365.680 3.109 20 0 FGADHM CC(C)(C)n1ncc(C(=O)Nc2cc(F)ccc2[O-])c1Br ZINC000831256006 729628496 /nfs/dbraw/zinc/62/84/96/729628496.db2.gz FTNKATWFRKXPFP-UHFFFAOYSA-N -1 3 356.195 3.498 20 0 FGADHM O=S(=O)([N-]C[C@@H]1CCOC2(CCC2)C1)c1ccc(Cl)nc1Cl ZINC000832135630 729691436 /nfs/dbraw/zinc/69/14/36/729691436.db2.gz DSLFBCOLRMRSQE-SNVBAGLBSA-N -1 3 365.282 3.016 20 0 FGADHM CS(=O)(=O)[N-]c1cc(C(=O)OC[C@@H]2CCCCC2(F)F)ccc1F ZINC000835638901 729906732 /nfs/dbraw/zinc/90/67/32/729906732.db2.gz RFCIICJJHJESSN-NSHDSACASA-N -1 3 365.373 3.180 20 0 FGADHM CC(C)(C)[C@H]([N-]S(C)(=O)=O)C(=O)OCc1cc(Cl)sc1Cl ZINC000835977318 729932323 /nfs/dbraw/zinc/93/23/23/729932323.db2.gz CUKLZGQMKYKUSV-SECBINFHSA-N -1 3 374.311 3.062 20 0 FGADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1cc2sc(C)nc2cc1OC ZINC000836364883 729953222 /nfs/dbraw/zinc/95/32/22/729953222.db2.gz XNKBDQVWSTUJPO-UHFFFAOYSA-N -1 3 367.427 3.008 20 0 FGADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1cc2sc(C)nc2cc1OC ZINC000836364883 729953223 /nfs/dbraw/zinc/95/32/23/729953223.db2.gz XNKBDQVWSTUJPO-UHFFFAOYSA-N -1 3 367.427 3.008 20 0 FGADHM Cc1nc(NC([O-])=NO[C@H](CO)C(C)C)sc1Cc1ccccc1F ZINC000836756996 729968479 /nfs/dbraw/zinc/96/84/79/729968479.db2.gz ADAPYNJFBYVALD-CQSZACIVSA-N -1 3 367.446 3.251 20 0 FGADHM Cc1nc(NC(=O)[N-]O[C@H](CO)C(C)C)sc1Cc1ccccc1F ZINC000836756996 729968480 /nfs/dbraw/zinc/96/84/80/729968480.db2.gz ADAPYNJFBYVALD-CQSZACIVSA-N -1 3 367.446 3.251 20 0 FGADHM COc1ccc(S[C@H](C)C(=O)OCc2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC000837451599 730030993 /nfs/dbraw/zinc/03/09/93/730030993.db2.gz LCYZEGGQBJGGGS-LLVKDONJSA-N -1 3 360.435 3.292 20 0 FGADHM CCn1cc(Br)cc1C(=O)OCc1cc(=O)[n-]c(C2CC2)n1 ZINC000837494350 730035043 /nfs/dbraw/zinc/03/50/43/730035043.db2.gz WECZDFDXIJSCHS-UHFFFAOYSA-N -1 3 366.215 3.001 20 0 FGADHM O=C(Cc1c[nH]c2ccc(Cl)cc12)OCc1cc(=O)[n-]c(C2CC2)n1 ZINC000837534512 730039161 /nfs/dbraw/zinc/03/91/61/730039161.db2.gz NAUQFQOOSCPSTJ-UHFFFAOYSA-N -1 3 357.797 3.480 20 0 FGADHM CCc1nnc([C@H](C)OC(=O)c2cc(Br)c(F)cc2[O-])o1 ZINC000837780715 730063229 /nfs/dbraw/zinc/06/32/29/730063229.db2.gz QKEROKPQIFCLGI-LURJTMIESA-N -1 3 359.151 3.157 20 0 FGADHM CCc1noc([C@@H](C)OC(=O)c2cc(Br)c(F)cc2[O-])n1 ZINC000837779762 730063322 /nfs/dbraw/zinc/06/33/22/730063322.db2.gz FHNNLCCREHTBGG-ZCFIWIBFSA-N -1 3 359.151 3.157 20 0 FGADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3cnn(C)c3Cl)nc(=O)c2c1C ZINC000837869399 730070801 /nfs/dbraw/zinc/07/08/01/730070801.db2.gz KZBCXIXDUFVZQD-SSDOTTSWSA-N -1 3 366.830 3.319 20 0 FGADHM COCCn1cc(C(=O)[N-]c2cccc(Cl)c2SC(F)F)nn1 ZINC000841098574 730211084 /nfs/dbraw/zinc/21/10/84/730211084.db2.gz YFDXQBLMFWQGIZ-UHFFFAOYSA-N -1 3 362.789 3.145 20 0 FGADHM CCC[C@H]([N-]S(=O)(=O)c1ccc(Cl)nc1C(=O)OC)C1CCCC1 ZINC000841551199 730255464 /nfs/dbraw/zinc/25/54/64/730255464.db2.gz PFDHJVMJDDSLNA-LBPRGKRZSA-N -1 3 374.890 3.159 20 0 FGADHM Cc1nn(Cc2ccccc2Cl)c(Cl)c1CNC[C@H](C)C(=O)[O-] ZINC000841803616 730276209 /nfs/dbraw/zinc/27/62/09/730276209.db2.gz VZRBLRCIHPKYEG-JTQLQIEISA-N -1 3 356.253 3.357 20 0 FGADHM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccnc1F ZINC000842825524 730547591 /nfs/dbraw/zinc/54/75/91/730547591.db2.gz VLLJGRHJLSFMHF-JTQLQIEISA-N -1 3 374.821 3.089 20 0 FGADHM CC(=O)c1cccc(NC(=O)[C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C)c1[O-] ZINC000843887831 730663432 /nfs/dbraw/zinc/66/34/32/730663432.db2.gz ANURHMSXMDGNKL-WDEREUQCSA-N -1 3 350.415 3.083 20 0 FGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)Nc1cc(C(F)F)ccc1F ZINC000844782066 730767656 /nfs/dbraw/zinc/76/76/56/730767656.db2.gz ODZSGNKRQKSRTL-UHFFFAOYSA-N -1 3 353.226 3.222 20 0 FGADHM CC(C)(C)OC(=O)N1CC[C@@H](COC(=O)c2ccc(N)c(Cl)c2[O-])C1 ZINC000845192672 730818122 /nfs/dbraw/zinc/81/81/22/730818122.db2.gz OPXKUDMQOXLKKY-SNVBAGLBSA-N -1 3 370.833 3.042 20 0 FGADHM CSC(C)(C)C[N-]S(=O)(=O)c1sc(Br)cc1C ZINC000845885753 730906402 /nfs/dbraw/zinc/90/64/02/730906402.db2.gz HRRCKIILSRJZEQ-UHFFFAOYSA-N -1 3 358.348 3.239 20 0 FGADHM Cc1ccc(NC(=O)c2[n-]cnc2C(F)(F)F)cc1NC(=O)N(C)C ZINC000846952245 730998789 /nfs/dbraw/zinc/99/87/89/730998789.db2.gz XYRXJXZNVHXEBB-UHFFFAOYSA-N -1 3 355.320 3.083 20 0 FGADHM Cc1ccc(NC(=O)c2nc[n-]c2C(F)(F)F)cc1NC(=O)N(C)C ZINC000846952245 730998790 /nfs/dbraw/zinc/99/87/90/730998790.db2.gz XYRXJXZNVHXEBB-UHFFFAOYSA-N -1 3 355.320 3.083 20 0 FGADHM CSc1nnc(C[N-]C(=O)C(F)(F)c2ccccc2OC(C)C)s1 ZINC000846987504 731002544 /nfs/dbraw/zinc/00/25/44/731002544.db2.gz NPJLDEXZVQMPCW-UHFFFAOYSA-N -1 3 373.450 3.455 20 0 FGADHM CC(C)Oc1ccccc1C(F)(F)C(=O)[N-][C@@H](c1ncon1)C(C)C ZINC000847952268 731113911 /nfs/dbraw/zinc/11/39/11/731113911.db2.gz MWPNQESTVHYUQN-CQSZACIVSA-N -1 3 353.369 3.462 20 0 FGADHM O=C(CCC1CCCCC1)[N-]OCc1ccc(OCC(F)(F)F)nn1 ZINC000848509067 731172845 /nfs/dbraw/zinc/17/28/45/731172845.db2.gz RZFFVHZKISYXNL-UHFFFAOYSA-N -1 3 361.364 3.326 20 0 FGADHM CC(C)(C)OC(=O)NC[C@H](NCc1c(F)ccc([O-])c1F)C(F)(F)F ZINC000848926167 731221321 /nfs/dbraw/zinc/22/13/21/731221321.db2.gz RJMGHJXBUHXYNV-NSHDSACASA-N -1 3 370.318 3.216 20 0 FGADHM O=S(=O)([N-]C[C@]12OCCC[C@H]1C2(F)F)c1cccc(Cl)c1Cl ZINC000849459230 731262084 /nfs/dbraw/zinc/26/20/84/731262084.db2.gz ZRQCQJGWFAOAHC-PWSUYJOCSA-N -1 3 372.220 3.086 20 0 FGADHM Cc1nc(C)c(CC(=O)OCCSc2cccc(Cl)c2)c(=O)[n-]1 ZINC000849688674 731272598 /nfs/dbraw/zinc/27/25/98/731272598.db2.gz IFTPBXSSDJYSID-UHFFFAOYSA-N -1 3 352.843 3.330 20 0 FGADHM O=S(=O)([N-][C@@H]1[C@@H]2Cc3cc(F)ccc3[C@@H]21)c1ccc(Cl)nc1Cl ZINC000851853847 731509350 /nfs/dbraw/zinc/50/93/50/731509350.db2.gz LMLOIBVMKIFDHD-DDTOSNHZSA-N -1 3 373.236 3.144 20 0 FGADHM CCc1cc2c(CN[C@@](C)(COC)C(F)(F)F)cc(=O)oc2cc1[O-] ZINC000852717117 731623625 /nfs/dbraw/zinc/62/36/25/731623625.db2.gz DMWXRGMXALITDS-INIZCTEOSA-N -1 3 359.344 3.118 20 0 FGADHM Cc1nn(Cc2ccc(C)cc2)c(Cl)c1CN[C@@H]1CC=C(C(=O)[O-])C1 ZINC000853034456 731653152 /nfs/dbraw/zinc/65/31/52/731653152.db2.gz BMKJMUOWWCBGBW-MRXNPFEDSA-N -1 3 359.857 3.465 20 0 FGADHM CN(C)[C@H](CNC(=O)c1ccc2oc(=S)[n-]c2c1)Cc1ccccc1 ZINC000854303046 731813175 /nfs/dbraw/zinc/81/31/75/731813175.db2.gz RVMJFGUWTWEILM-HNNXBMFYSA-N -1 3 355.463 3.019 20 0 FGADHM CC[C@H](COCC(F)(F)F)[N-]C(=O)C(F)(F)c1ccccc1OC ZINC000854688677 731853944 /nfs/dbraw/zinc/85/39/44/731853944.db2.gz CGPSPYOVDMITEE-SNVBAGLBSA-N -1 3 355.303 3.261 20 0 FGADHM O=C(NCC1CCN(Cc2ccncc2)CC1)c1cccc(Cl)c1[O-] ZINC000855527742 731934762 /nfs/dbraw/zinc/93/47/62/731934762.db2.gz PTQJGUMTYIUOMQ-UHFFFAOYSA-N -1 3 359.857 3.083 20 0 FGADHM CC(C)Cc1nsc([N-]C(=O)c2cc(S(C)(=O)=O)ccc2Cl)n1 ZINC000855705488 731947808 /nfs/dbraw/zinc/94/78/08/731947808.db2.gz IOIOSNOYKITNRT-UHFFFAOYSA-N -1 3 373.887 3.046 20 0 FGADHM Cn1cc(C[C@@H]2CCC[C@H]2NC(=O)c2cc3sccc3c([O-])c2)cn1 ZINC000855870623 731964188 /nfs/dbraw/zinc/96/41/88/731964188.db2.gz OYDKFFVGKHATIO-XJKSGUPXSA-N -1 3 355.463 3.482 20 0 FGADHM C[C@@H](CC(=O)N1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1)CC(C)(C)C ZINC000856418231 732025372 /nfs/dbraw/zinc/02/53/72/732025372.db2.gz AVKFOGOSYTYYAF-XQQFMLRXSA-N -1 3 350.425 3.364 20 0 FGADHM Cn1cc(CN[C@@H](Cc2cc(Cl)cc(Cl)c2)C(=O)[O-])c(Cl)n1 ZINC000856723238 732045383 /nfs/dbraw/zinc/04/53/83/732045383.db2.gz ZNGJUTPETSJQMG-LBPRGKRZSA-N -1 3 362.644 3.166 20 0 FGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]CC[C@@H]2CC2(Cl)Cl)c1 ZINC000856749717 732053701 /nfs/dbraw/zinc/05/37/01/732053701.db2.gz JSXHLONMMCKYLP-MRVPVSSYSA-N -1 3 358.674 3.211 20 0 FGADHM Cc1nn(C)c(Cl)c1CN(C)C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000857195927 732111032 /nfs/dbraw/zinc/11/10/32/732111032.db2.gz LDCRPHPKXOFGOC-UHFFFAOYSA-N -1 3 361.751 3.379 20 0 FGADHM C/C(=C/C(=O)N[C@H](C)[C@H](C)C(=O)Nc1ncccc1[O-])c1cccs1 ZINC000857721064 732157203 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O=C([O-])C1CCN(Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000859806181 732396372 /nfs/dbraw/zinc/39/63/72/732396372.db2.gz QCBNPPCQQNSEGY-UHFFFAOYSA-N -1 3 353.344 3.188 20 0 FGADHM CCO[C@H](C(=O)O[C@@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1)C1CC1 ZINC000859866190 732408044 /nfs/dbraw/zinc/40/80/44/732408044.db2.gz HOALHCTVOGCCMC-ZANVPECISA-N -1 3 350.440 3.433 20 0 FGADHM O=C(OCc1noc(C2CCC2)n1)c1cc([O-])cc(Br)c1 ZINC000860202445 732468349 /nfs/dbraw/zinc/46/83/49/732468349.db2.gz RZJBDSSUZORMKT-UHFFFAOYSA-N -1 3 353.172 3.162 20 0 FGADHM CN(CCOCCNC(=O)OC(C)(C)C)Cc1cccc([O-])c1Cl ZINC000862526173 732843599 /nfs/dbraw/zinc/84/35/99/732843599.db2.gz OOHGGBMWMKJIKG-UHFFFAOYSA-N -1 3 358.866 3.019 20 0 FGADHM COc1cnc(F)c([N-]S(=O)(=O)c2ccc(OCC(C)C)cc2)c1 ZINC000863449533 732964766 /nfs/dbraw/zinc/96/47/66/732964766.db2.gz MULNBJGUFUHAIK-UHFFFAOYSA-N -1 3 354.403 3.065 20 0 FGADHM Cc1cccc(Cl)c1NC(=O)[C@H](C)S(=O)(=O)c1nc(C(C)C)c[n-]1 ZINC000864441398 733056321 /nfs/dbraw/zinc/05/63/21/733056321.db2.gz 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/nfs/dbraw/zinc/67/86/65/494678665.db2.gz OCYARAATLHGTIA-HNNXBMFYSA-N -1 3 363.417 3.460 20 0 FGADHM Cc1ccc(NC(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)c(Cl)c1 ZINC000047327542 494683145 /nfs/dbraw/zinc/68/31/45/494683145.db2.gz NUWSZWAOIDEGLW-UHFFFAOYSA-N -1 3 368.824 3.283 20 0 FGADHM O=c1cc(C[S@@](=O)Cc2nnc(C3CC3)s2)nc(-c2ccccc2)[n-]1 ZINC000568608456 505735805 /nfs/dbraw/zinc/73/58/05/505735805.db2.gz XEDAWJLYLQKFMQ-RUZDIDTESA-N -1 3 372.475 3.027 20 0 FGADHM O=S(=O)([N-][C@@H](CCCO)c1ccccc1)c1ccccc1C(F)(F)F ZINC000121365292 494721016 /nfs/dbraw/zinc/72/10/16/494721016.db2.gz MFQHBWBMJBMSNN-HNNXBMFYSA-N -1 3 373.396 3.498 20 0 FGADHM Cc1ccc(Cc2nnc([N-]C(=O)c3cn(CCC(C)C)nn3)s2)cc1 ZINC000131806161 494736502 /nfs/dbraw/zinc/73/65/02/494736502.db2.gz ATMVZOJYXPZGLC-UHFFFAOYSA-N -1 3 370.482 3.327 20 0 FGADHM O=C([O-])COCCN1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000574285287 505738781 /nfs/dbraw/zinc/73/87/81/505738781.db2.gz LAKTUMDUAXTNEH-UHFFFAOYSA-N -1 3 362.253 3.076 20 0 FGADHM Cc1cc(C)n(CCSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)n1 ZINC000068042745 494739680 /nfs/dbraw/zinc/73/96/80/494739680.db2.gz HWMNSBYUJDBXCR-UHFFFAOYSA-N -1 3 366.450 3.127 20 0 FGADHM CCc1ccc([O-])c(C(=O)N(C)Cc2nc([C@H](C)OCC(C)C)no2)c1 ZINC000091991323 494747789 /nfs/dbraw/zinc/74/77/89/494747789.db2.gz QEMDYUMHKBEDQL-ZDUSSCGKSA-N -1 3 361.442 3.343 20 0 FGADHM COc1cc(F)c([N-]S(=O)(=O)c2cc(C)c(OC)c(C)c2)cc1F ZINC000126432228 494750164 /nfs/dbraw/zinc/75/01/64/494750164.db2.gz IMICJUDLQPKGPI-UHFFFAOYSA-N -1 3 357.378 3.400 20 0 FGADHM CCc1noc([C@@H](C)Sc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)n1 ZINC000057466375 494756831 /nfs/dbraw/zinc/75/68/31/494756831.db2.gz KYKBGPIDOLLIQG-SNVBAGLBSA-N -1 3 368.422 3.320 20 0 FGADHM O=C(Nc1cc(Br)ccc1[O-])c1cc(Br)c[nH]1 ZINC000126464728 494760080 /nfs/dbraw/zinc/76/00/80/494760080.db2.gz IQAIGDXKSIYFME-UHFFFAOYSA-N -1 3 360.005 3.498 20 0 FGADHM Cc1cc(C[C@H](C)[N-]S(=O)(=O)c2ccccc2F)n(-c2ccccc2)n1 ZINC000121470068 494770028 /nfs/dbraw/zinc/77/00/28/494770028.db2.gz RZSANZUKXMMKHD-HNNXBMFYSA-N -1 3 373.453 3.229 20 0 FGADHM Cc1cc(C)n2ncc(-c3noc(Cc4ccc([O-])cc4Cl)n3)c2n1 ZINC000131922270 494774988 /nfs/dbraw/zinc/77/49/88/494774988.db2.gz NWGSLRFFKAJBBP-UHFFFAOYSA-N -1 3 355.785 3.346 20 0 FGADHM CC1(C)C[C@@H]1C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000126516630 494775968 /nfs/dbraw/zinc/77/59/68/494775968.db2.gz DXSQKQBGLFGYJS-SECBINFHSA-N -1 3 350.362 3.062 20 0 FGADHM COC(=O)c1c(C2CC2)csc1[N-]C(=O)c1ncn(-c2ccccc2)n1 ZINC000092869637 494777369 /nfs/dbraw/zinc/77/73/69/494777369.db2.gz FNXPDBUPZUOBNF-UHFFFAOYSA-N -1 3 368.418 3.245 20 0 FGADHM COc1cc(F)c(CNC[C@@H](Cc2ccc(C)cc2)C(=O)[O-])cc1OC ZINC000568634280 505741211 /nfs/dbraw/zinc/74/12/11/505741211.db2.gz PEFAODXROOQKJN-MRXNPFEDSA-N -1 3 361.413 3.184 20 0 FGADHM CCc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C(=O)NC(C)C)c2)cc1 ZINC000108762555 494782636 /nfs/dbraw/zinc/78/26/36/494782636.db2.gz TUHPDEVZKRUKLM-UHFFFAOYSA-N -1 3 360.479 3.496 20 0 FGADHM O=C(NCc1ccc(OCc2ccccn2)cc1)c1c([O-])cccc1O ZINC000092119298 494795758 /nfs/dbraw/zinc/79/57/58/494795758.db2.gz FMWAEKOCMRGECS-UHFFFAOYSA-N -1 3 350.374 3.002 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)CCO3)ccc1Br ZINC000026543716 494832027 /nfs/dbraw/zinc/83/20/27/494832027.db2.gz HKHRREZBEPSMSF-UHFFFAOYSA-N -1 3 368.252 3.493 20 0 FGADHM COc1cccc(C(=O)Nc2ccc(CN(C(C)=O)C(C)C)cc2)c1[O-] ZINC000116662589 494834099 /nfs/dbraw/zinc/83/40/99/494834099.db2.gz DWFJEWVDQLDASL-UHFFFAOYSA-N -1 3 356.422 3.410 20 0 FGADHM O=S(=O)([N-]C[C@@H]1Cc2ccccc2O1)c1ccc(Cl)c(Cl)c1 ZINC000026866003 494842490 /nfs/dbraw/zinc/84/24/90/494842490.db2.gz URLNMEPSCWNNFL-NSHDSACASA-N -1 3 358.246 3.275 20 0 FGADHM Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2cc(C)ccc2[O-])c(C)c1 ZINC000109213049 494847231 /nfs/dbraw/zinc/84/72/31/494847231.db2.gz HVWXUBAKXRNASI-QGZVFWFLSA-N -1 3 370.474 3.471 20 0 FGADHM Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2cccc(C)c2[O-])c(C)c1 ZINC000109213039 494847370 /nfs/dbraw/zinc/84/73/70/494847370.db2.gz RPRQBKQCONHSBC-KRWDZBQOSA-N -1 3 370.474 3.471 20 0 FGADHM Cc1ccc([O-])c(C(=O)N2CSC[C@@H]2C(=O)Nc2cccc(C)c2C)c1 ZINC000109213667 494847394 /nfs/dbraw/zinc/84/73/94/494847394.db2.gz GPMRHJCOXJBLHX-QGZVFWFLSA-N -1 3 370.474 3.471 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)Cc3ccc(F)c(F)c3)c2)n1 ZINC000121734735 494848418 /nfs/dbraw/zinc/84/84/18/494848418.db2.gz JOYUYULGHSCKPR-UHFFFAOYSA-N -1 3 369.371 3.459 20 0 FGADHM COc1ccc(CC[C@@H](C)NC(=O)c2c[n-]c3ccccc3c2=O)cc1 ZINC000109300547 494856005 /nfs/dbraw/zinc/85/60/05/494856005.db2.gz HNZDOMKCKBYJRI-CQSZACIVSA-N -1 3 350.418 3.288 20 0 FGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)[C@H]1C[C@@H]1c1ccc(F)cc1F ZINC000093317507 494867294 /nfs/dbraw/zinc/86/72/94/494867294.db2.gz GICVSDBKHGKZIZ-NEPJUHHUSA-N -1 3 364.348 3.434 20 0 FGADHM CCOc1ccc(C(=O)NCC(=O)Nc2cc(Cl)cc(C)c2[O-])cc1 ZINC000116979816 494878784 /nfs/dbraw/zinc/87/87/84/494878784.db2.gz GIFNJDSRKUTEBR-UHFFFAOYSA-N -1 3 362.813 3.121 20 0 FGADHM O=C(Nc1ccc(OC[C@H]2CCCO2)cc1)c1c[n-]c2ccccc2c1=O ZINC000132465902 494878969 /nfs/dbraw/zinc/87/89/69/494878969.db2.gz LMGPDQRHISOVEA-MRXNPFEDSA-N -1 3 364.401 3.338 20 0 FGADHM O=C(Nc1ccc(OC[C@H]2CCCO2)cc1)c1cnc2ccccc2c1[O-] ZINC000132465902 494878973 /nfs/dbraw/zinc/87/89/73/494878973.db2.gz LMGPDQRHISOVEA-MRXNPFEDSA-N -1 3 364.401 3.338 20 0 FGADHM Cc1onc(-c2ccccc2C)c1C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000580389288 505747598 /nfs/dbraw/zinc/74/75/98/505747598.db2.gz MXWNKTPEROAKFB-OAHLLOKOSA-N -1 3 352.394 3.207 20 0 FGADHM C[C@@H](Cc1cccc(Cl)c1)C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000132501458 494884573 /nfs/dbraw/zinc/88/45/73/494884573.db2.gz MWEXNUGARYYJNJ-LBPRGKRZSA-N -1 3 355.829 3.015 20 0 FGADHM C[C@@H](Cc1cccc(Cl)c1)C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000132501458 494884575 /nfs/dbraw/zinc/88/45/75/494884575.db2.gz MWEXNUGARYYJNJ-LBPRGKRZSA-N -1 3 355.829 3.015 20 0 FGADHM CCN(C(=O)[C@H](C)Sc1n[n-]c(-c2ccccn2)n1)c1ccccc1 ZINC000117112580 494891914 /nfs/dbraw/zinc/89/19/14/494891914.db2.gz JNSQPSQJNRCZFI-ZDUSSCGKSA-N -1 3 353.451 3.400 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@]3(C)CCCO3)cc2)cc1 ZINC000132564042 494892958 /nfs/dbraw/zinc/89/29/58/494892958.db2.gz DPSZUIGEZTWCPI-IBGZPJMESA-N -1 3 374.462 3.303 20 0 FGADHM Cc1cc(F)c(S(=O)(=O)[N-]C2CCN(c3ccccc3)CC2)cc1F ZINC000121991312 494904912 /nfs/dbraw/zinc/90/49/12/494904912.db2.gz AARYIRFTSLJKSB-UHFFFAOYSA-N -1 3 366.433 3.221 20 0 FGADHM CC[C@H]1CCCN(C(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)CC1 ZINC000117264056 494906189 /nfs/dbraw/zinc/90/61/89/494906189.db2.gz ZEKWKPSUJIWLKW-INIZCTEOSA-N -1 3 368.481 3.112 20 0 FGADHM CSCc1cccc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])c1 ZINC000109700651 494909548 /nfs/dbraw/zinc/90/95/48/494909548.db2.gz KZFWDKRYEIZZFS-QGZVFWFLSA-N -1 3 370.474 3.499 20 0 FGADHM C[C@H](Oc1ccc(Br)cc1)C(=O)NCc1ccc([O-])c(F)c1 ZINC000132728265 494915631 /nfs/dbraw/zinc/91/56/31/494915631.db2.gz SXNFOYAPKONXMD-JTQLQIEISA-N -1 3 368.202 3.378 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)c1nn(-c2ccccc2F)c2c1CCC2 ZINC000132764250 494921445 /nfs/dbraw/zinc/92/14/45/494921445.db2.gz NQVTVSVYYYQDTP-UHFFFAOYSA-N -1 3 369.371 3.275 20 0 FGADHM Cn1nc([C@H]2CCCOC2)cc1NCc1cc([O-])ccc1Br ZINC000571508633 505749899 /nfs/dbraw/zinc/74/98/99/505749899.db2.gz PNDDHLOFAWAWPD-NSHDSACASA-N -1 3 366.259 3.394 20 0 FGADHM CCc1cccc(C(=O)N[C@@H](c2nccn2C)c2ccc(F)cc2)c1[O-] ZINC000093910565 494934038 /nfs/dbraw/zinc/93/40/38/494934038.db2.gz AEHWDWSTZRYKNR-QGZVFWFLSA-N -1 3 353.397 3.347 20 0 FGADHM CCc1ccc([O-])c(C(=O)N[C@H](CCSC)c2nnc3ccccn32)c1 ZINC000093908881 494934250 /nfs/dbraw/zinc/93/42/50/494934250.db2.gz RYDVPEOPBDMLFY-OAHLLOKOSA-N -1 3 370.478 3.222 20 0 FGADHM Cc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c(OCCN(C)C)c1 ZINC000127389313 494937684 /nfs/dbraw/zinc/93/76/84/494937684.db2.gz MUWRUVCEKYSYRE-UHFFFAOYSA-N -1 3 370.421 3.014 20 0 FGADHM COCCn1ccc(NC(=O)c2cc(Cc3ccccc3)ccc2[O-])n1 ZINC000094086687 494947559 /nfs/dbraw/zinc/94/75/59/494947559.db2.gz LZZHYWQYXKWICH-UHFFFAOYSA-N -1 3 351.406 3.078 20 0 FGADHM C[C@@H](Oc1cccc(Cl)c1)C(=O)[N-]c1nncn1Cc1ccccc1 ZINC000117733439 494950377 /nfs/dbraw/zinc/95/03/77/494950377.db2.gz XSOAGMWDONVYEI-CYBMUJFWSA-N -1 3 356.813 3.386 20 0 FGADHM Cc1ccc(C(=O)Nc2ccc(C(N)=O)c(N3CCCCC3)c2)c([O-])c1 ZINC000094138019 494953950 /nfs/dbraw/zinc/95/39/50/494953950.db2.gz PJQKCMWQVFMEIL-UHFFFAOYSA-N -1 3 353.422 3.042 20 0 FGADHM CCc1ccc(C(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)cc1 ZINC000133051306 494961220 /nfs/dbraw/zinc/96/12/20/494961220.db2.gz URCNBNZOSSUFIQ-UHFFFAOYSA-N -1 3 362.426 3.081 20 0 FGADHM O=C(Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)c1ccc2cc[nH]c2c1 ZINC000133060530 494962182 /nfs/dbraw/zinc/96/21/82/494962182.db2.gz QNAJPFXTEMUFFT-UHFFFAOYSA-N -1 3 373.409 3.000 20 0 FGADHM O=C(Nc1cccc(Cl)c1)N1CCCN(Cc2ncccc2[O-])CC1 ZINC000577561306 505752087 /nfs/dbraw/zinc/75/20/87/505752087.db2.gz ITIBIPNZNABYLI-UHFFFAOYSA-N -1 3 360.845 3.180 20 0 FGADHM COc1cccc(CS(=O)(=O)[N-]Cc2nc(C(C)(C)C)cs2)c1 ZINC000117919028 494963188 /nfs/dbraw/zinc/96/31/88/494963188.db2.gz UTVUTMISXRMBEW-UHFFFAOYSA-N -1 3 354.497 3.069 20 0 FGADHM O=S(=O)(c1nnc(C2CC2)[n-]1)[C@@H]1CCc2c1cc(Cl)cc2Cl ZINC000133096328 494969037 /nfs/dbraw/zinc/96/90/37/494969037.db2.gz JOHLIEBAYPQCIX-GFCCVEGCSA-N -1 3 358.250 3.450 20 0 FGADHM O=S(=O)(c1nc(C2CC2)n[n-]1)[C@@H]1CCc2c1cc(Cl)cc2Cl ZINC000133096328 494969031 /nfs/dbraw/zinc/96/90/31/494969031.db2.gz JOHLIEBAYPQCIX-GFCCVEGCSA-N -1 3 358.250 3.450 20 0 FGADHM COc1ccc(C(=O)N2CCc3cccc(Br)c3C2)c([O-])c1 ZINC000118280546 494990146 /nfs/dbraw/zinc/99/01/46/494990146.db2.gz ZRZPCRUSPDGYSM-UHFFFAOYSA-N -1 3 362.223 3.362 20 0 FGADHM O=S(=O)([N-][C@@H](c1cccc(F)c1)c1cccc(Cl)c1)c1c[nH]cn1 ZINC000127755553 494992754 /nfs/dbraw/zinc/99/27/54/494992754.db2.gz HKYHIFMASJVARP-MRXNPFEDSA-N -1 3 365.817 3.270 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCSC[C@H]2c2ccccc2)c1 ZINC000122564804 494995101 /nfs/dbraw/zinc/99/51/01/494995101.db2.gz LXJNVILDOOWOIO-KRWDZBQOSA-N -1 3 356.447 3.281 20 0 FGADHM Cc1ccc(-c2nc(C(=O)[N-]c3sccc3S(C)(=O)=O)cs2)o1 ZINC000118635327 495019050 /nfs/dbraw/zinc/01/90/50/495019050.db2.gz MVYDEQQSLGHUQW-UHFFFAOYSA-N -1 3 368.461 3.429 20 0 FGADHM COCCOc1ccccc1C(=O)Nc1ccc(Br)cc1[O-] ZINC000097069334 495022589 /nfs/dbraw/zinc/02/25/89/495022589.db2.gz PXDNHDOGKABTSG-UHFFFAOYSA-N -1 3 366.211 3.432 20 0 FGADHM O=S(=O)([N-]c1ccc([C@H]2CCOC2)cc1)c1ccc2c(c1)CCCO2 ZINC000574367900 505756231 /nfs/dbraw/zinc/75/62/31/505756231.db2.gz ZXUBTUFQZMPOLR-INIZCTEOSA-N -1 3 359.447 3.316 20 0 FGADHM COc1ccc(-c2nnc(CNC(=O)c3cc4ccccc4cc3[O-])[nH]2)cc1 ZINC000110994382 495028957 /nfs/dbraw/zinc/02/89/57/495028957.db2.gz JPAXCMMDVNFCJK-UHFFFAOYSA-N -1 3 374.400 3.269 20 0 FGADHM COc1ccc(-c2n[nH]c(CNC(=O)c3cc4ccccc4cc3[O-])n2)cc1 ZINC000110994382 495028961 /nfs/dbraw/zinc/02/89/61/495028961.db2.gz JPAXCMMDVNFCJK-UHFFFAOYSA-N -1 3 374.400 3.269 20 0 FGADHM CC(=O)c1ccc([N-]S(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)cc1C ZINC000133666741 495043638 /nfs/dbraw/zinc/04/36/38/495043638.db2.gz OKOTYLXFTWEPJW-LIRRHRJNSA-N -1 3 363.479 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CC[C@@H](CC1CCCC1)C(=O)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000114630468 495400484 /nfs/dbraw/zinc/40/04/84/495400484.db2.gz NEAWFZYRSHMECT-KRWDZBQOSA-N -1 3 358.482 3.283 20 0 FGADHM CCC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)c1 ZINC000106007111 495401616 /nfs/dbraw/zinc/40/16/16/495401616.db2.gz JXAFNIHCJINNJF-CYBMUJFWSA-N -1 3 374.462 3.468 20 0 FGADHM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3cccc(-c4cnco4)c3)ccc2O1 ZINC000106007275 495401677 /nfs/dbraw/zinc/40/16/77/495401677.db2.gz GHOLBTOACCQPKO-GFCCVEGCSA-N -1 3 356.403 3.466 20 0 FGADHM CC(C)(C)c1csc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])n1 ZINC000120557182 495405369 /nfs/dbraw/zinc/40/53/69/495405369.db2.gz YUILLRMORLFJQV-CYBMUJFWSA-N -1 3 373.478 3.390 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]CCC(=O)Nc2ccccc2)c(Cl)cc1F ZINC000120598161 495414878 /nfs/dbraw/zinc/41/48/78/495414878.db2.gz GHHSIBMUOLTQNP-UHFFFAOYSA-N -1 3 370.833 3.095 20 0 FGADHM CC(C)CN(C(=O)c1cc(Br)ccc1[O-])C1CCN(C)CC1 ZINC000137065736 495421446 /nfs/dbraw/zinc/42/14/46/495421446.db2.gz LJWIYSBCRGZBRI-UHFFFAOYSA-N -1 3 369.303 3.347 20 0 FGADHM O=C(NCc1nccn1C(F)F)c1cc(OCc2ccccc2)ccc1[O-] ZINC000130659474 495425842 /nfs/dbraw/zinc/42/58/42/495425842.db2.gz ZIQFQIFWIBGIAQ-UHFFFAOYSA-N -1 3 373.359 3.493 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N[C@@H]2CCCc3sccc32)c([O-])c1 ZINC000137397911 495439311 /nfs/dbraw/zinc/43/93/11/495439311.db2.gz CVWUJOINDRFVGQ-OAHLLOKOSA-N -1 3 358.463 3.076 20 0 FGADHM CC(C)(C)Oc1ccc(C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)cc1 ZINC000120722255 495442943 /nfs/dbraw/zinc/44/29/43/495442943.db2.gz VRHKTBJLTWLINN-UHFFFAOYSA-N -1 3 351.410 3.220 20 0 FGADHM CC(C)(C)Oc1ccc(C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)cc1 ZINC000120722255 495442944 /nfs/dbraw/zinc/44/29/44/495442944.db2.gz VRHKTBJLTWLINN-UHFFFAOYSA-N -1 3 351.410 3.220 20 0 FGADHM COc1ccc(C(=O)Nc2ccc([C@@H](C)N3CCOCC3)cc2)c([O-])c1 ZINC000106450074 495456531 /nfs/dbraw/zinc/45/65/31/495456531.db2.gz TVHGKRMVLKPDIS-CQSZACIVSA-N -1 3 356.422 3.046 20 0 FGADHM COc1ccc(C(=O)Nc2ccc([C@H](C)N3CCOCC3)cc2)c([O-])c1 ZINC000106450070 495456562 /nfs/dbraw/zinc/45/65/62/495456562.db2.gz TVHGKRMVLKPDIS-AWEZNQCLSA-N -1 3 356.422 3.046 20 0 FGADHM CCc1cnc(S(=O)(=O)[C@@H](C)c2nc(-c3ccc(F)c(C)c3)no2)[n-]1 ZINC000125653543 495477116 /nfs/dbraw/zinc/47/71/16/495477116.db2.gz YSTZRYZJCJDAIS-JTQLQIEISA-N -1 3 364.402 3.005 20 0 FGADHM CCc1c[n-]c(S(=O)(=O)[C@@H](C)c2nc(-c3ccc(F)c(C)c3)no2)n1 ZINC000125653543 495477121 /nfs/dbraw/zinc/47/71/21/495477121.db2.gz YSTZRYZJCJDAIS-JTQLQIEISA-N -1 3 364.402 3.005 20 0 FGADHM CC(C)(C)C1CC(c2nc(-c3cccc([C@]4(C)NC(=O)[N-]C4=O)c3)no2)C1 ZINC000571660009 505785077 /nfs/dbraw/zinc/78/50/77/505785077.db2.gz BOMNITLZHLXUJE-KBDARXMYSA-N -1 3 368.437 3.331 20 0 FGADHM CCc1cnc(S(=O)(=O)[C@H](C)C(=O)Nc2ccc(C(C)(C)C)cc2)[n-]1 ZINC000125708092 495485982 /nfs/dbraw/zinc/48/59/82/495485982.db2.gz OGAPOEAJAJZDQH-GFCCVEGCSA-N -1 3 363.483 3.071 20 0 FGADHM CCc1c[n-]c(S(=O)(=O)[C@H](C)C(=O)Nc2ccc(C(C)(C)C)cc2)n1 ZINC000125708092 495485984 /nfs/dbraw/zinc/48/59/84/495485984.db2.gz OGAPOEAJAJZDQH-GFCCVEGCSA-N -1 3 363.483 3.071 20 0 FGADHM Cc1cccc([C@@H]2CCCN2C(=O)CCc2c(C)nc(C)[n-]c2=O)c1C ZINC000125718994 495487303 /nfs/dbraw/zinc/48/73/03/495487303.db2.gz YYJUODXBQVPSMY-IBGZPJMESA-N -1 3 353.466 3.300 20 0 FGADHM COC[C@@H]([N-]S(=O)(=O)c1ccc(-c2csc(C)n2)s1)C(C)C ZINC000120940315 495489216 /nfs/dbraw/zinc/48/92/16/495489216.db2.gz WPEOJPPZHGKMRJ-LLVKDONJSA-N -1 3 360.526 3.129 20 0 FGADHM Cc1ccc([C@@H](CN=c2[n-]nc(C3CCOCC3)s2)N2CCCC2)cc1 ZINC000577751097 505785751 /nfs/dbraw/zinc/78/57/51/505785751.db2.gz MWVAVHZHCUKROH-GOSISDBHSA-N -1 3 372.538 3.411 20 0 FGADHM CC[C@@H](c1nnc([N-]C(=O)c2cn3cccnc3n2)s1)c1ccccc1 ZINC000106853506 495501187 /nfs/dbraw/zinc/50/11/87/495501187.db2.gz FRCZFHONRNCARU-CYBMUJFWSA-N -1 3 364.434 3.375 20 0 FGADHM CCC[C@@H](NC(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1)c1ccccc1 ZINC000141695663 495509102 /nfs/dbraw/zinc/50/91/02/495509102.db2.gz DLMBEQQPNRAEFN-DZGCQCFKSA-N -1 3 366.508 3.073 20 0 FGADHM O=C(N[C@@H](c1ccccc1)c1cccc(F)c1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000131233374 495510432 /nfs/dbraw/zinc/51/04/32/495510432.db2.gz MQERJTIYHQJBJJ-IBGZPJMESA-N -1 3 374.371 3.229 20 0 FGADHM COc1cccc(OC)c1C(=O)[N-]c1nc(Cc2ccccc2)ns1 ZINC000107356672 495525993 /nfs/dbraw/zinc/52/59/93/495525993.db2.gz DIFIRKRGSZRUMV-UHFFFAOYSA-N -1 3 355.419 3.398 20 0 FGADHM Cc1csc([C@@H]([N-]S(=O)(=O)c2cccc3cnccc32)C2CC2)n1 ZINC000173462154 495540919 /nfs/dbraw/zinc/54/09/19/495540919.db2.gz FLRMWFLFDBCTRN-INIZCTEOSA-N -1 3 359.476 3.429 20 0 FGADHM O=C(Nc1ncccc1[O-])c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O ZINC000158605985 495548843 /nfs/dbraw/zinc/54/88/43/495548843.db2.gz MMQITKQWIBIZBE-UHFFFAOYSA-N -1 3 373.771 3.482 20 0 FGADHM C[C@@H](NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)c1ccc2c(c1)CCCC2 ZINC000145510275 495556271 /nfs/dbraw/zinc/55/62/71/495556271.db2.gz WZDLDHHRPPPKMR-GFCCVEGCSA-N -1 3 363.417 3.332 20 0 FGADHM O=S(=O)([N-]C[C@@H]1CCCO[C@H]1c1ccccc1)c1ccc(F)c(F)c1 ZINC000146340753 495564314 /nfs/dbraw/zinc/56/43/14/495564314.db2.gz JXQHTFMNDKCQLY-KSSFIOAISA-N -1 3 367.417 3.411 20 0 FGADHM COC(=O)[C@@H](C)[C@H](NC(=O)Cc1ccc([O-])cc1Cl)c1ccccc1 ZINC000158674707 495564488 /nfs/dbraw/zinc/56/44/88/495564488.db2.gz GWCXSIRZZFEQAV-SGTLLEGYSA-N -1 3 361.825 3.255 20 0 FGADHM CO[C@H](CS(=O)(=O)[N-]c1cc(C)c(Br)c(C)c1)C1CC1 ZINC000571681203 505789746 /nfs/dbraw/zinc/78/97/46/505789746.db2.gz JIAOYEXKMHOBDX-CYBMUJFWSA-N -1 3 362.289 3.233 20 0 FGADHM Cc1ccc(CN(C)C(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])o1 ZINC000179389060 495571850 /nfs/dbraw/zinc/57/18/50/495571850.db2.gz ACUCXIMZQSHGRS-UHFFFAOYSA-N -1 3 369.377 3.115 20 0 FGADHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(C)=O)c(C)c1 ZINC000170708491 495576279 /nfs/dbraw/zinc/57/62/79/495576279.db2.gz QGYWGDDWJGZJGF-ZDUSSCGKSA-N -1 3 374.462 3.102 20 0 FGADHM COc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2n2cccn2)c1 ZINC000173536451 495578806 /nfs/dbraw/zinc/57/88/06/495578806.db2.gz FXMLURQLGYKNKH-HUUCEWRRSA-N -1 3 369.874 3.007 20 0 FGADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(NC(C)=O)c2)cc1 ZINC000148509989 495585135 /nfs/dbraw/zinc/58/51/35/495585135.db2.gz NHYDEEMTBLVVQW-UHFFFAOYSA-N -1 3 368.842 3.498 20 0 FGADHM CC[C@@H]1CCCN(C(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])C1 ZINC000179425249 495586938 /nfs/dbraw/zinc/58/69/38/495586938.db2.gz IJJDHFKLELWGKM-CYBMUJFWSA-N -1 3 357.410 3.203 20 0 FGADHM CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(Cl)c2)c(Cl)c1 ZINC000158888300 495609443 /nfs/dbraw/zinc/60/94/43/495609443.db2.gz KLNFLKMYTJWKPF-UHFFFAOYSA-N -1 3 373.261 3.462 20 0 FGADHM O=c1[n-]c(-c2cnn3c2nccc3C(F)(F)F)nc2ccc(Cl)cc12 ZINC000170817122 495613648 /nfs/dbraw/zinc/61/36/48/495613648.db2.gz JUIDFTMGKKBVJG-UHFFFAOYSA-N -1 3 365.702 3.305 20 0 FGADHM CCOc1ccc([C@@H](C)NC(=O)CCCNC(=O)c2cccc([O-])c2)cc1 ZINC000182587944 495625562 /nfs/dbraw/zinc/62/55/62/495625562.db2.gz DGXMKWTWGMUZDL-OAHLLOKOSA-N -1 3 370.449 3.178 20 0 FGADHM O=C(Nc1nnc(-c2ccco2)[n-]1)c1cnc(OCC2CC2)c(Cl)c1 ZINC000182622371 495640492 /nfs/dbraw/zinc/64/04/92/495640492.db2.gz PBFWIKRIVNLSHE-UHFFFAOYSA-N -1 3 359.773 3.154 20 0 FGADHM O=C(Nc1nc(-c2ccco2)n[n-]1)c1cnc(OCC2CC2)c(Cl)c1 ZINC000182622371 495640498 /nfs/dbraw/zinc/64/04/98/495640498.db2.gz PBFWIKRIVNLSHE-UHFFFAOYSA-N -1 3 359.773 3.154 20 0 FGADHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1cnc(OCC2CC2)c(Cl)c1 ZINC000182622371 495640504 /nfs/dbraw/zinc/64/05/04/495640504.db2.gz PBFWIKRIVNLSHE-UHFFFAOYSA-N -1 3 359.773 3.154 20 0 FGADHM Cc1cc(NC(=O)Cc2csc(NC(=O)c3cccc([O-])c3)n2)sn1 ZINC000176413855 495642565 /nfs/dbraw/zinc/64/25/65/495642565.db2.gz LVSBIOSUHMHMIJ-UHFFFAOYSA-N -1 3 374.447 3.047 20 0 FGADHM O=C1[C@H](NCc2cc([O-])cc(F)c2)CCN1c1ccc(Cl)c(F)c1 ZINC000185614217 495645492 /nfs/dbraw/zinc/64/54/92/495645492.db2.gz BSNXUANSCYZASP-MRXNPFEDSA-N -1 3 352.768 3.219 20 0 FGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2cccc3cc[nH]c32)cc1OC ZINC000173679868 495646285 /nfs/dbraw/zinc/64/62/85/495646285.db2.gz WFLIUDRUKHBFOJ-UHFFFAOYSA-N -1 3 373.434 3.190 20 0 FGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]CC(C)(C)C1CCCC1 ZINC000159066245 495650191 /nfs/dbraw/zinc/65/01/91/495650191.db2.gz UDUJLWJYUWYPGO-UHFFFAOYSA-N -1 3 357.447 3.107 20 0 FGADHM O=S(=O)(CCC1CCCCC1)[N-]Cc1noc(-c2ccccc2F)n1 ZINC000577817591 505796746 /nfs/dbraw/zinc/79/67/46/505796746.db2.gz LWHRRJSOLLPJKT-UHFFFAOYSA-N -1 3 367.446 3.266 20 0 FGADHM CC(C)[C@H](C)NC(=O)C1CCN(C(=O)c2ccc3c(c2[O-])CCCC3)CC1 ZINC000185715955 495695154 /nfs/dbraw/zinc/69/51/54/495695154.db2.gz BEVJERIJOAJGSZ-HNNXBMFYSA-N -1 3 372.509 3.284 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)c3cccnc3C(F)(F)F)[n-]c21 ZINC000159268132 495697744 /nfs/dbraw/zinc/69/77/44/495697744.db2.gz RRKKBHKYLUWOOP-UHFFFAOYSA-N -1 3 364.283 3.016 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cccnc3C(F)(F)F)nc21 ZINC000159268132 495697750 /nfs/dbraw/zinc/69/77/50/495697750.db2.gz RRKKBHKYLUWOOP-UHFFFAOYSA-N -1 3 364.283 3.016 20 0 FGADHM NC(=O)c1ccc(C(=O)[N-]c2nnc(-c3cccc(Cl)c3)s2)s1 ZINC000171040595 495698769 /nfs/dbraw/zinc/69/87/69/495698769.db2.gz RBFRNETVYYQNLF-UHFFFAOYSA-N -1 3 364.839 3.271 20 0 FGADHM Cc1sc(CCNC(=O)c2cccc3nn[n-]c32)nc1-c1ccccc1 ZINC000182780038 495700733 /nfs/dbraw/zinc/70/07/33/495700733.db2.gz KMWXYKATRHAVEE-UHFFFAOYSA-N -1 3 363.446 3.362 20 0 FGADHM Cc1sc(CCNC(=O)c2cccc3[n-]nnc32)nc1-c1ccccc1 ZINC000182780038 495700737 /nfs/dbraw/zinc/70/07/37/495700737.db2.gz KMWXYKATRHAVEE-UHFFFAOYSA-N -1 3 363.446 3.362 20 0 FGADHM Cc1sc(CCNC(=O)c2cccc3n[n-]nc32)nc1-c1ccccc1 ZINC000182780038 495700741 /nfs/dbraw/zinc/70/07/41/495700741.db2.gz KMWXYKATRHAVEE-UHFFFAOYSA-N -1 3 363.446 3.362 20 0 FGADHM CCCCOc1ccc(NC(=O)[C@@H]([N-]S(C)(=O)=O)C(C)(C)C)c(C)c1 ZINC000159291323 495702658 /nfs/dbraw/zinc/70/26/58/495702658.db2.gz GXDVNYVMNARJEH-MRXNPFEDSA-N -1 3 370.515 3.076 20 0 FGADHM [O-]c1cc(CN2CCN(c3ncccc3F)CC2)cc(C(F)(F)F)c1 ZINC000571727269 505799456 /nfs/dbraw/zinc/79/94/56/505799456.db2.gz CEGFOPKZSZMFJS-UHFFFAOYSA-N -1 3 355.335 3.267 20 0 FGADHM CCCS(=O)(=O)[N-]c1ccc(C(=O)Nc2cc(C3CC3)ccn2)cc1 ZINC000571731010 505800667 /nfs/dbraw/zinc/80/06/67/505800667.db2.gz QALKHKRZERHYTD-UHFFFAOYSA-N -1 3 359.451 3.363 20 0 FGADHM CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000179804191 495740355 /nfs/dbraw/zinc/74/03/55/495740355.db2.gz LPDIPATXAYKGSV-QGZVFWFLSA-N -1 3 358.825 3.266 20 0 FGADHM Cc1cc(=O)[n-]c([C@H](C)Sc2nnnn2-c2ccc(C(C)C)cc2)n1 ZINC000151135021 495748905 /nfs/dbraw/zinc/74/89/05/495748905.db2.gz HXCRZBTUIRMZJM-LBPRGKRZSA-N -1 3 356.455 3.443 20 0 FGADHM Cc1ccc(C(=O)N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c([O-])c1 ZINC000182908036 495751193 /nfs/dbraw/zinc/75/11/93/495751193.db2.gz JSNSHTVPLOYLLA-LBPRGKRZSA-N -1 3 353.344 3.393 20 0 FGADHM CC(=O)N[C@@H](CC(=O)N1CCCc2cccc([O-])c21)c1ccc(F)cc1F ZINC000182919414 495757786 /nfs/dbraw/zinc/75/77/86/495757786.db2.gz WQCGSMHBRYACIS-KRWDZBQOSA-N -1 3 374.387 3.217 20 0 FGADHM O=C([C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1)N1CCCc2cccc([O-])c21 ZINC000182926454 495759856 /nfs/dbraw/zinc/75/98/56/495759856.db2.gz DUSWHINYHPFUFJ-LLVKDONJSA-N -1 3 365.355 3.218 20 0 FGADHM O=C([C@H]1CCc2[nH]nc(C(F)(F)F)c2C1)N1CCCc2cccc([O-])c21 ZINC000182926476 495760247 /nfs/dbraw/zinc/76/02/47/495760247.db2.gz DUSWHINYHPFUFJ-NSHDSACASA-N -1 3 365.355 3.218 20 0 FGADHM COC(=O)C1(NCc2nc3c4ccccc4oc3c(=O)[n-]2)CCCCCC1 ZINC000154891858 495763625 /nfs/dbraw/zinc/76/36/25/495763625.db2.gz ZJGVKKVAISFGKG-UHFFFAOYSA-N -1 3 369.421 3.025 20 0 FGADHM O=S(=O)([N-]C1(c2cccc(F)c2)CCOCC1)c1ccc(F)cc1F ZINC000173958934 495765675 /nfs/dbraw/zinc/76/56/75/495765675.db2.gz BWADCJJQENMCOT-UHFFFAOYSA-N -1 3 371.380 3.088 20 0 FGADHM CC1(C)CN(CC(F)(F)F)CCN1C(=O)Cc1ccc([O-])cc1Cl ZINC000182988513 495786961 /nfs/dbraw/zinc/78/69/61/495786961.db2.gz AJAMFJCTMFUAHY-UHFFFAOYSA-N -1 3 364.795 3.073 20 0 FGADHM CCC[C@H](CC)[N-]S(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1 ZINC000179930222 495788140 /nfs/dbraw/zinc/78/81/40/495788140.db2.gz SKXVCNYCEACKLL-ZDUSSCGKSA-N -1 3 374.572 3.310 20 0 FGADHM COc1nnc(NC(=O)c2ccc(COc3ccc4ccccc4c3)o2)[n-]1 ZINC000183003470 495793644 /nfs/dbraw/zinc/79/36/44/495793644.db2.gz RIKMHLBIUWDXND-UHFFFAOYSA-N -1 3 364.361 3.391 20 0 FGADHM COc1n[n-]c(NC(=O)c2ccc(COc3ccc4ccccc4c3)o2)n1 ZINC000183003470 495793650 /nfs/dbraw/zinc/79/36/50/495793650.db2.gz RIKMHLBIUWDXND-UHFFFAOYSA-N -1 3 364.361 3.391 20 0 FGADHM COc1nc(NC(=O)c2ccc(COc3ccc4ccccc4c3)o2)n[n-]1 ZINC000183003470 495793656 /nfs/dbraw/zinc/79/36/56/495793656.db2.gz RIKMHLBIUWDXND-UHFFFAOYSA-N -1 3 364.361 3.391 20 0 FGADHM COc1cc(Br)c(S(=O)(=O)[N-]C(C)(C)C)cc1Cl ZINC000176812844 495795875 /nfs/dbraw/zinc/79/58/75/495795875.db2.gz NISBXJGZTNCABX-UHFFFAOYSA-N -1 3 356.669 3.188 20 0 FGADHM COc1cccc(-c2noc([C@@H](C)[N-]S(=O)(=O)[C@@H](C)CC(C)C)n2)c1 ZINC000174033886 495796620 /nfs/dbraw/zinc/79/66/20/495796620.db2.gz XBIMFONCZHXLBO-QWHCGFSZSA-N -1 3 367.471 3.160 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCC(=O)N3)c(C)c1 ZINC000171267631 495797172 /nfs/dbraw/zinc/79/71/72/495797172.db2.gz GMFLAVKWVIGUGC-UHFFFAOYSA-N -1 3 360.435 3.079 20 0 FGADHM O=S(=O)([N-]C1CCN(C2CC2)CC1)c1cc2cc(Cl)ccc2s1 ZINC000176824174 495800531 /nfs/dbraw/zinc/80/05/31/495800531.db2.gz HBQNOBBUCGSANL-UHFFFAOYSA-N -1 3 370.927 3.460 20 0 FGADHM CC(C)[C@H](O)C(C)(C)C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000155028286 495808077 /nfs/dbraw/zinc/80/80/77/495808077.db2.gz QMCUWKWPNZFFBV-ZDUSSCGKSA-N -1 3 371.396 3.166 20 0 FGADHM O=C(c1c[n-]c2ccccc2c1=O)N1CCC(Nc2ccccc2F)CC1 ZINC000174084585 495815172 /nfs/dbraw/zinc/81/51/72/495815172.db2.gz VEMWRCYIPZYYHF-UHFFFAOYSA-N -1 3 365.408 3.384 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCC2(C(C)C)CC2)c1 ZINC000183074542 495823893 /nfs/dbraw/zinc/82/38/93/495823893.db2.gz GDSJWBYJNQWCAV-UHFFFAOYSA-N -1 3 357.410 3.107 20 0 FGADHM Cc1cccc([N-]S(=O)(=O)c2cc3c(cc2Cl)OCCO3)c1F ZINC000180020645 495826206 /nfs/dbraw/zinc/82/62/06/495826206.db2.gz CFIADMIJOCCKOT-UHFFFAOYSA-N -1 3 357.790 3.360 20 0 FGADHM COc1cc(OC)cc([C@@H](C(=O)[O-])N2CCC(OC3CCCC3)CC2)c1 ZINC000577856597 505806199 /nfs/dbraw/zinc/80/61/99/505806199.db2.gz CQRYARAFTCEPPX-IBGZPJMESA-N -1 3 363.454 3.253 20 0 FGADHM CC[C@@H](c1ccncc1)N(CC)C(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC000180052072 495837599 /nfs/dbraw/zinc/83/75/99/495837599.db2.gz ARLIIQLILQIFOY-SFHVURJKSA-N -1 3 369.465 3.215 20 0 FGADHM CCC1(CC)CN(C(=O)c2c[n-]c3c(C)cccc3c2=O)CC[S@@]1=O ZINC000186055519 495839386 /nfs/dbraw/zinc/83/93/86/495839386.db2.gz DNNDKHATSIRCCM-VWLOTQADSA-N -1 3 360.479 3.012 20 0 FGADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N3CCCC3(C)C)cs2)c1 ZINC000180068458 495844541 /nfs/dbraw/zinc/84/45/41/495844541.db2.gz CMCTZHXGMJOCLQ-UHFFFAOYSA-N -1 3 373.478 3.353 20 0 FGADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000155156402 495856531 /nfs/dbraw/zinc/85/65/31/495856531.db2.gz QHVNIFAVCGXZRM-NHCUHLMSSA-N -1 3 367.445 3.003 20 0 FGADHM Cc1cccc2c(=O)c(C(=O)Nc3ccc(N4CCNC4=O)cc3)c[n-]c12 ZINC000155163212 495858530 /nfs/dbraw/zinc/85/85/30/495858530.db2.gz PPBQDIJVZRGHLV-UHFFFAOYSA-N -1 3 362.389 3.031 20 0 FGADHM O=S(=O)([N-]CCC[C@@H]1CCCCO1)c1cc(C(F)(F)F)ccc1F ZINC000186164809 495879683 /nfs/dbraw/zinc/87/96/83/495879683.db2.gz YBFWIAAKXZGEIW-LBPRGKRZSA-N -1 3 369.380 3.472 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-]CCCCOc1ccc(C)cc1 ZINC000155233410 495886136 /nfs/dbraw/zinc/88/61/36/495886136.db2.gz LPBKYBFGKLYGJS-UHFFFAOYSA-N -1 3 355.481 3.203 20 0 FGADHM CC(=O)c1cccc(NC(=O)c2ccnc(N3CCC[C@@H](C)C3)c2)c1[O-] ZINC000571764492 505810251 /nfs/dbraw/zinc/81/02/51/505810251.db2.gz ZHTZKDLSVFECRL-CYBMUJFWSA-N -1 3 353.422 3.478 20 0 FGADHM CCc1nc(C2([N-]S(=O)(=O)C[C@@H](C)c3ccccc3)CCCC2)no1 ZINC000151626988 495898633 /nfs/dbraw/zinc/89/86/33/495898633.db2.gz ANGGKUDFEMFUIS-CQSZACIVSA-N -1 3 363.483 3.124 20 0 FGADHM CO[C@@H](C(=O)NCc1ccc([O-])c(Br)c1)c1ccccc1 ZINC000151633585 495900454 /nfs/dbraw/zinc/90/04/54/495900454.db2.gz DSTJPCXKXQYRBG-OAHLLOKOSA-N -1 3 350.212 3.159 20 0 FGADHM CN1C(=O)C[C@H](C(=O)Nc2ccc([O-])cc2F)[C@@H]1c1cccc(Cl)c1 ZINC000183273150 495910939 /nfs/dbraw/zinc/91/09/39/495910939.db2.gz WNMJWEQXQRQQSG-GUYCJALGSA-N -1 3 362.788 3.343 20 0 FGADHM CN(C)CCOc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1Cl ZINC000174325487 495911558 /nfs/dbraw/zinc/91/15/58/495911558.db2.gz QVPISALAMBRPEG-UHFFFAOYSA-N -1 3 372.849 3.220 20 0 FGADHM CCOC(=O)c1cc(NC(=O)c2cnc(Cc3ccc(F)cc3)s2)n[n-]1 ZINC000183290789 495917206 /nfs/dbraw/zinc/91/72/06/495917206.db2.gz AMXQUMIXVCCFSV-UHFFFAOYSA-N -1 3 374.397 3.025 20 0 FGADHM CCOC(=O)c1cc(NC(=O)c2cnc(Cc3ccc(F)cc3)s2)[n-]n1 ZINC000183290789 495917208 /nfs/dbraw/zinc/91/72/08/495917208.db2.gz AMXQUMIXVCCFSV-UHFFFAOYSA-N -1 3 374.397 3.025 20 0 FGADHM O=c1cc(C(F)(F)F)nc(C[S@](=O)Cc2cccc(Cl)c2)[n-]1 ZINC000155322519 495919629 /nfs/dbraw/zinc/91/96/29/495919629.db2.gz IPBAJNURSAYGOE-QFIPXVFZSA-N -1 3 350.749 3.303 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N[C@@H](C)c3nc(C(C)(C)C)no3)c[n-]c12 ZINC000155333631 495922882 /nfs/dbraw/zinc/92/28/82/495922882.db2.gz QVBYXJLOAQAZPA-JTQLQIEISA-N -1 3 372.400 3.147 20 0 FGADHM Cc1cc(C(=O)Nc2nnc(-c3ccco3)[n-]2)nn1-c1cccc(Cl)c1 ZINC000180247905 495923209 /nfs/dbraw/zinc/92/32/09/495923209.db2.gz LDWGXCUZWVFDCK-UHFFFAOYSA-N -1 3 368.784 3.465 20 0 FGADHM Cc1cc(C(=O)Nc2nc(-c3ccco3)n[n-]2)nn1-c1cccc(Cl)c1 ZINC000180247905 495923216 /nfs/dbraw/zinc/92/32/16/495923216.db2.gz LDWGXCUZWVFDCK-UHFFFAOYSA-N -1 3 368.784 3.465 20 0 FGADHM Cc1cc(C(=O)Nc2n[n-]c(-c3ccco3)n2)nn1-c1cccc(Cl)c1 ZINC000180247905 495923224 /nfs/dbraw/zinc/92/32/24/495923224.db2.gz LDWGXCUZWVFDCK-UHFFFAOYSA-N -1 3 368.784 3.465 20 0 FGADHM CC1(C)C[C@H]([N-]S(=O)(=O)c2ccc(Br)s2)C(C)(C)O1 ZINC000183319204 495928522 /nfs/dbraw/zinc/92/85/22/495928522.db2.gz BTLFXBPUCNKYGA-QMMMGPOBSA-N -1 3 368.318 3.135 20 0 FGADHM O=C(c1cccc([O-])c1)N1CCN([C@H]2CCCc3ccc(F)cc32)CC1 ZINC000151742830 495933912 /nfs/dbraw/zinc/93/39/12/495933912.db2.gz YOKHHPGFGYICEJ-FQEVSTJZSA-N -1 3 354.425 3.367 20 0 FGADHM C[C@@H]1CCN(C(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)c2c([O-])cccc21 ZINC000186301204 495936505 /nfs/dbraw/zinc/93/65/05/495936505.db2.gz HZJKNYHCIQBHFK-IAQYHMDHSA-N -1 3 354.381 3.498 20 0 FGADHM Cc1ccc(C(=O)N2CC[C@@H](C)c3cccc([O-])c32)cc1NS(C)(=O)=O ZINC000186314991 495944119 /nfs/dbraw/zinc/94/41/19/495944119.db2.gz GHPFFENONXTZMG-GFCCVEGCSA-N -1 3 374.462 3.226 20 0 FGADHM COCCCOc1ccc(C(=O)N2CC[C@H](C)c3cccc([O-])c32)cn1 ZINC000186328698 495950751 /nfs/dbraw/zinc/95/07/51/495950751.db2.gz SXWFUYAFCHLZPC-AWEZNQCLSA-N -1 3 356.422 3.357 20 0 FGADHM Cc1cccc(C(=O)N2CCC([C@@H](C)NC(=O)OC(C)(C)C)CC2)c1[O-] ZINC000171621605 495953068 /nfs/dbraw/zinc/95/30/68/495953068.db2.gz RSEHCHHYVGEQGO-CQSZACIVSA-N -1 3 362.470 3.466 20 0 FGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@@H]3CCCOCC3)s2)cs1 ZINC000183383038 495956488 /nfs/dbraw/zinc/95/64/88/495956488.db2.gz BIRUQGFUAVIZMS-LLVKDONJSA-N -1 3 358.510 3.027 20 0 FGADHM CCc1cccc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)OC)c2F)c1 ZINC000574613900 505814560 /nfs/dbraw/zinc/81/45/60/505814560.db2.gz VQCQXYBWNHFTMK-UHFFFAOYSA-N -1 3 355.362 3.115 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)c1cc(C(=O)OC)co1)c1cccc(Cl)c1 ZINC000151839427 495965022 /nfs/dbraw/zinc/96/50/22/495965022.db2.gz YVUOGWKFFHURAA-ZDUSSCGKSA-N -1 3 357.815 3.149 20 0 FGADHM C[C@H]1CN(C(=O)NCc2ccc([O-])c(F)c2)C[C@@H](c2ccsc2)O1 ZINC000151852455 495970027 /nfs/dbraw/zinc/97/00/27/495970027.db2.gz HYWGOJACAPZDLT-ZBEGNZNMSA-N -1 3 350.415 3.264 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N[C@@H](C)c3ccc4c(c3)OCO4)c[n-]c12 ZINC000155490048 495972162 /nfs/dbraw/zinc/97/21/62/495972162.db2.gz UYUIYXYEDBILRL-NSHDSACASA-N -1 3 368.364 3.195 20 0 FGADHM Cc1nc(C)c(CC(=O)N[C@H]2CC[C@H](c3cccc(Cl)c3)C2)c(=O)[n-]1 ZINC000574615939 505815565 /nfs/dbraw/zinc/81/55/65/505815565.db2.gz MRXJNZPPJXYBHY-HOCLYGCPSA-N -1 3 359.857 3.447 20 0 FGADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCC(F)F)c2)cc1 ZINC000174547226 496003114 /nfs/dbraw/zinc/00/31/14/496003114.db2.gz DJNPYONILCMNLQ-UHFFFAOYSA-N -1 3 368.405 3.099 20 0 FGADHM O=C(N[C@@H]1CCC[C@H]2OCC[C@@H]21)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000186488270 496016435 /nfs/dbraw/zinc/01/64/35/496016435.db2.gz WZBIPJISYPWFIB-YUSALJHKSA-N -1 3 351.859 3.479 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N3CCCC[C@@H]3[C@@H]3CCC[C@H]3O)c[n-]c12 ZINC000568958991 505818017 /nfs/dbraw/zinc/81/80/17/505818017.db2.gz YOCMTBJRNXAESE-BMGDILEWSA-N -1 3 372.440 3.131 20 0 FGADHM CC(=O)N1CC[C@H](CN(C)C(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC000152019266 496023789 /nfs/dbraw/zinc/02/37/89/496023789.db2.gz BWHQOXNCPYGFFK-MRXNPFEDSA-N -1 3 368.433 3.125 20 0 FGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@H]3CC[C@H](CO)CC3)s2)cs1 ZINC000152249174 496094133 /nfs/dbraw/zinc/09/41/33/496094133.db2.gz FDGLDLMGVNAGHK-TXEJJXNPSA-N -1 3 372.537 3.009 20 0 FGADHM O=C(CSc1nnc(C2CC2)n1Cc1ccco1)Nc1ccccc1[O-] ZINC000180675864 496099327 /nfs/dbraw/zinc/09/93/27/496099327.db2.gz UCHVAPQBYLVPDB-UHFFFAOYSA-N -1 3 370.434 3.233 20 0 FGADHM Cc1cccc(C(=O)N[C@H](C)C(=O)Nc2cccc(N3CCCC3)c2)c1[O-] ZINC000155895093 496100296 /nfs/dbraw/zinc/10/02/96/496100296.db2.gz MKUAQRJAUDOHIQ-OAHLLOKOSA-N -1 3 367.449 3.058 20 0 FGADHM CCOc1cc(C(=O)N[C@@H](C)CN2CCC[C@H](C)C2)cc(Cl)c1[O-] ZINC000186685983 496107445 /nfs/dbraw/zinc/10/74/45/496107445.db2.gz FCSNXKXFTBBIKZ-STQMWFEESA-N -1 3 354.878 3.295 20 0 FGADHM Cc1ccc(CC(=O)[N-]OCc2cccc(C(=O)N3CCCCC3)c2)cc1 ZINC000177581318 496119865 /nfs/dbraw/zinc/11/98/65/496119865.db2.gz XUWNPZBEAXCYNE-UHFFFAOYSA-N -1 3 366.461 3.412 20 0 FGADHM C[C@H](CC(=O)c1cccs1)[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000152348732 496124522 /nfs/dbraw/zinc/12/45/22/496124522.db2.gz LTPZBBZPANKEKA-SECBINFHSA-N -1 3 361.847 3.480 20 0 FGADHM C[C@H](c1ncc(C(C)(C)C)o1)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000177639219 496141317 /nfs/dbraw/zinc/14/13/17/496141317.db2.gz RGBWTMOVPBJJEV-CQSZACIVSA-N -1 3 357.454 3.197 20 0 FGADHM C[C@@]1(C[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CCCO1 ZINC000156090584 496154571 /nfs/dbraw/zinc/15/45/71/496154571.db2.gz HUTOXRJCXGURMA-LBPRGKRZSA-N -1 3 357.781 3.206 20 0 FGADHM CC[C@@H](C)CN(CC)C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000180812350 496155845 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CC(C)OCCS(=O)(=O)[N-]c1ccc(Sc2ccncc2)cc1 ZINC000152565633 496189705 /nfs/dbraw/zinc/18/97/05/496189705.db2.gz KJLHJBFCBMCNSL-UHFFFAOYSA-N -1 3 352.481 3.400 20 0 FGADHM C[C@@H](NC(=O)[C@@H](C)S(=O)(=O)c1cccc([O-])c1)c1ccc(Cl)cc1 ZINC000183993867 496191897 /nfs/dbraw/zinc/19/18/97/496191897.db2.gz AQHXEDJWCSXYKB-VXGBXAGGSA-N -1 3 367.854 3.085 20 0 FGADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H](C)C2CCCC2)cc1Cl ZINC000172165526 496192821 /nfs/dbraw/zinc/19/28/21/496192821.db2.gz QTSVQBUTQMPAPO-VIFPVBQESA-N -1 3 362.854 3.295 20 0 FGADHM CCOC(=O)c1cc(NC(=O)c2csc(-c3ccccc3F)n2)n[n-]1 ZINC000180933087 496206214 /nfs/dbraw/zinc/20/62/14/496206214.db2.gz UOHFKSFYYHSZPM-UHFFFAOYSA-N -1 3 360.370 3.101 20 0 FGADHM CCOC(=O)c1cc(NC(=O)c2csc(-c3ccccc3F)n2)[n-]n1 ZINC000180933087 496206221 /nfs/dbraw/zinc/20/62/21/496206221.db2.gz UOHFKSFYYHSZPM-UHFFFAOYSA-N -1 3 360.370 3.101 20 0 FGADHM CCOC(=O)c1cc(NC(=O)c2cc(-c3cccc(Cl)c3)on2)n[n-]1 ZINC000180938001 496207257 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ZINC000172894932 496481086 /nfs/dbraw/zinc/48/10/86/496481086.db2.gz TUUGVDZBZUMICB-HSZRJFAPSA-N -1 3 369.483 3.430 20 0 FGADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]Cc1ccc2ccccc2c1 ZINC000178524565 496487177 /nfs/dbraw/zinc/48/71/77/496487177.db2.gz UAVBTZDODMVURD-UHFFFAOYSA-N -1 3 373.405 3.244 20 0 FGADHM Cc1cc(Br)cc(NC(=O)CCc2c(C)nc(C)[n-]c2=O)c1 ZINC000187564430 496492507 /nfs/dbraw/zinc/49/25/07/496492507.db2.gz FNAOBZDDLFPGCN-UHFFFAOYSA-N -1 3 364.243 3.029 20 0 FGADHM COC(=O)[C@H](C)[C@H]([N-]S(=O)(=O)c1ccc(Cl)s1)c1ccccc1 ZINC000175704862 496508255 /nfs/dbraw/zinc/50/82/55/496508255.db2.gz JRTISNDOQTZIDG-YGRLFVJLSA-N -1 3 373.883 3.230 20 0 FGADHM COc1cc(C(=O)N[C@H]2C[C@H]2c2c(F)cccc2Cl)cc(OC)c1[O-] ZINC000163456672 496517497 /nfs/dbraw/zinc/51/74/97/496517497.db2.gz PRLYLXNBMWMHPR-MFKMUULPSA-N -1 3 365.788 3.488 20 0 FGADHM Cn1ccnc1Sc1ccc(F)cc1NC(=O)c1cccc2nn[n-]c21 ZINC000187637208 496517974 /nfs/dbraw/zinc/51/79/74/496517974.db2.gz VMTMQQQSISOBJY-UHFFFAOYSA-N -1 3 368.397 3.234 20 0 FGADHM Cn1ccnc1Sc1ccc(F)cc1NC(=O)c1cccc2[n-]nnc21 ZINC000187637208 496517981 /nfs/dbraw/zinc/51/79/81/496517981.db2.gz VMTMQQQSISOBJY-UHFFFAOYSA-N -1 3 368.397 3.234 20 0 FGADHM Cn1ccnc1Sc1ccc(F)cc1NC(=O)c1cccc2n[n-]nc21 ZINC000187637208 496517985 /nfs/dbraw/zinc/51/79/85/496517985.db2.gz VMTMQQQSISOBJY-UHFFFAOYSA-N -1 3 368.397 3.234 20 0 FGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)NC1CCC(C)(C)CC1 ZINC000173017768 496522116 /nfs/dbraw/zinc/52/21/16/496522116.db2.gz HQCPPOKLHGFLAR-UHFFFAOYSA-N -1 3 368.481 3.158 20 0 FGADHM COc1cc([C@@H](C)NC(=O)c2cccc3nn[n-]c32)ccc1OCC(C)C ZINC000163514542 496527071 /nfs/dbraw/zinc/52/70/71/496527071.db2.gz YBRKFKQDQIVPDI-CYBMUJFWSA-N -1 3 368.437 3.492 20 0 FGADHM COc1cc([C@@H](C)NC(=O)c2cccc3[n-]nnc32)ccc1OCC(C)C ZINC000163514542 496527074 /nfs/dbraw/zinc/52/70/74/496527074.db2.gz YBRKFKQDQIVPDI-CYBMUJFWSA-N -1 3 368.437 3.492 20 0 FGADHM COc1cc([C@@H](C)NC(=O)c2cccc3n[n-]nc32)ccc1OCC(C)C ZINC000163514542 496527077 /nfs/dbraw/zinc/52/70/77/496527077.db2.gz YBRKFKQDQIVPDI-CYBMUJFWSA-N -1 3 368.437 3.492 20 0 FGADHM CCN(CC1CCN(c2ccccn2)CC1)C(=O)c1cccc(OC)c1[O-] ZINC000175779050 496541540 /nfs/dbraw/zinc/54/15/40/496541540.db2.gz FXYZTHWSUMYFTH-UHFFFAOYSA-N -1 3 369.465 3.175 20 0 FGADHM COc1cc(C(=O)N2C[C@@H](C)CN(C)c3ccccc32)cc(OC)c1[O-] ZINC000163655600 496543747 /nfs/dbraw/zinc/54/37/47/496543747.db2.gz SLJGVRNIVNEJKR-ZDUSSCGKSA-N -1 3 356.422 3.142 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]Cc2coc(-c3ccccc3)n2)c(F)cc1F ZINC000175803088 496551681 /nfs/dbraw/zinc/55/16/81/496551681.db2.gz CBILNDNDHFCBQQ-UHFFFAOYSA-N -1 3 364.373 3.407 20 0 FGADHM O=c1[n-]c(-c2cccc(OCC(F)(F)F)n2)nc2sc3c(c21)CCC3 ZINC000157798309 496557147 /nfs/dbraw/zinc/55/71/47/496557147.db2.gz TYEJMNSUKSFYNF-UHFFFAOYSA-N -1 3 367.352 3.476 20 0 FGADHM C[C@H](O)CC(C)(C)CNC(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000187754715 496557918 /nfs/dbraw/zinc/55/79/18/496557918.db2.gz VVSPKZPKVAFIMI-AWEZNQCLSA-N -1 3 355.434 3.150 20 0 FGADHM Cc1cccc(C(=O)N2CCc3c(ncn3CCc3ccccc3)C2)c1[O-] ZINC000181822048 496559516 /nfs/dbraw/zinc/55/95/16/496559516.db2.gz IFNQMNDSUDIHMU-UHFFFAOYSA-N -1 3 361.445 3.338 20 0 FGADHM Cc1ccc(-c2nnc(NC(=O)[C@H]3CCCN3Cc3ccc(F)cc3)[n-]2)o1 ZINC000181885204 496585729 /nfs/dbraw/zinc/58/57/29/496585729.db2.gz ZABXOPLFPHNJAW-OAHLLOKOSA-N -1 3 369.400 3.115 20 0 FGADHM Cc1ccc(-c2n[n-]c(NC(=O)[C@H]3CCCN3Cc3ccc(F)cc3)n2)o1 ZINC000181885204 496585734 /nfs/dbraw/zinc/58/57/34/496585734.db2.gz ZABXOPLFPHNJAW-OAHLLOKOSA-N -1 3 369.400 3.115 20 0 FGADHM Cc1ccc(-c2nc(NC(=O)[C@H]3CCCN3Cc3ccc(F)cc3)n[n-]2)o1 ZINC000181885204 496585739 /nfs/dbraw/zinc/58/57/39/496585739.db2.gz ZABXOPLFPHNJAW-OAHLLOKOSA-N -1 3 369.400 3.115 20 0 FGADHM Cc1cccc(F)c1S(=O)(=O)[N-]C1(c2noc(C3CC3)n2)CCCC1 ZINC000185031043 496629567 /nfs/dbraw/zinc/62/95/67/496629567.db2.gz SYOYPGJHZDZFTN-UHFFFAOYSA-N -1 3 365.430 3.142 20 0 FGADHM O=C(N[C@@H](CCO)c1ccco1)c1cc(OCc2ccccc2)ccc1[O-] ZINC000187962566 496632650 /nfs/dbraw/zinc/63/26/50/496632650.db2.gz XUBQLTCKUHIPDT-SFHVURJKSA-N -1 3 367.401 3.418 20 0 FGADHM Cc1ccccc1S(=O)(=O)[N-]c1cccc(CN2C[C@H](C)O[C@@H](C)C2)c1 ZINC000154008453 496652497 /nfs/dbraw/zinc/65/24/97/496652497.db2.gz DJXUDTNLOZAHMP-IRXDYDNUSA-N -1 3 374.506 3.405 20 0 FGADHM CC(C)(C)c1ccc(CCCCC(=O)N2CCc3nc[n-]c(=O)c3C2)cc1 ZINC000179049615 496658029 /nfs/dbraw/zinc/65/80/29/496658029.db2.gz DSLRQLQOYXJQPN-UHFFFAOYSA-N -1 3 367.493 3.365 20 0 FGADHM Cc1cc(C(=O)N2CCc3nc[n-]c(=O)c3C2)sc1-c1ccc(F)cc1 ZINC000179064859 496663908 /nfs/dbraw/zinc/66/39/08/496663908.db2.gz OCGXSDROCJKTND-UHFFFAOYSA-N -1 3 369.421 3.144 20 0 FGADHM CCc1cnc(CC[N-]S(=O)(=O)c2cc(C)c(Cl)s2)s1 ZINC000188061395 496667279 /nfs/dbraw/zinc/66/72/79/496667279.db2.gz NRDQTLXQGCCKPH-UHFFFAOYSA-N -1 3 350.918 3.250 20 0 FGADHM Cc1ccc(C(F)(F)F)cc1NC(=O)c1cnc2c(cnn2C)c1[O-] ZINC000182101822 496670767 /nfs/dbraw/zinc/67/07/67/496670767.db2.gz NLHSUFNYCRCJEZ-UHFFFAOYSA-N -1 3 350.300 3.253 20 0 FGADHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(Cl)nc3C)c2)n1 ZINC000158320274 496674826 /nfs/dbraw/zinc/67/48/26/496674826.db2.gz NTXDEAOYKGPDOH-UHFFFAOYSA-N -1 3 354.797 3.354 20 0 FGADHM Cc1ccc(C)c(N2CCN(C(=O)c3c[n-]c4ccccc4c3=O)CC2)c1 ZINC000158413657 496696859 /nfs/dbraw/zinc/69/68/59/496696859.db2.gz SLFQRAMPPISOEJ-UHFFFAOYSA-N -1 3 361.445 3.107 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)[C@H]3C[C@H]3c3c(F)cccc3F)[n-]c21 ZINC000158423318 496698474 /nfs/dbraw/zinc/69/84/74/496698474.db2.gz QOBHLTGEDUAAPD-MNOVXSKESA-N -1 3 371.343 3.370 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@H]3C[C@H]3c3c(F)cccc3F)nc21 ZINC000158423318 496698480 /nfs/dbraw/zinc/69/84/80/496698480.db2.gz QOBHLTGEDUAAPD-MNOVXSKESA-N -1 3 371.343 3.370 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)[C@H]3C[C@H]3c3cccc(OC)c3)[n-]c21 ZINC000158449888 496704683 /nfs/dbraw/zinc/70/46/83/496704683.db2.gz CUNWWUIKJRNYMC-GJZGRUSLSA-N -1 3 365.389 3.100 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@H]3C[C@H]3c3cccc(OC)c3)nc21 ZINC000158449888 496704689 /nfs/dbraw/zinc/70/46/89/496704689.db2.gz CUNWWUIKJRNYMC-GJZGRUSLSA-N -1 3 365.389 3.100 20 0 FGADHM Cc1nc(-c2ccc(NC(=O)N(C)CCCOC(C)C)cc2)cc(=O)[n-]1 ZINC000580885441 505860860 /nfs/dbraw/zinc/86/08/60/505860860.db2.gz KDGOMIGIQQCMEK-UHFFFAOYSA-N -1 3 358.442 3.436 20 0 FGADHM CCOC(=O)c1ccc(NC(=O)c2occc2Br)c([O-])c1 ZINC000176159123 496707797 /nfs/dbraw/zinc/70/77/97/496707797.db2.gz AIPCOUFGZAIKMS-UHFFFAOYSA-N -1 3 354.156 3.177 20 0 FGADHM CCc1ccc(C(=O)N2CCCC[C@H]2CNC(=O)c2ccccc2)c([O-])c1 ZINC000188218921 496718370 /nfs/dbraw/zinc/71/83/70/496718370.db2.gz OFFKXXZGVWMERD-SFHVURJKSA-N -1 3 366.461 3.379 20 0 FGADHM Cc1ccc(NC(=O)NC[C@@H]2CCCN(C(=O)c3cccc([O-])c3)C2)cc1 ZINC000182298032 496727719 /nfs/dbraw/zinc/72/77/19/496727719.db2.gz PHBUCCLVDRCIHL-INIZCTEOSA-N -1 3 367.449 3.375 20 0 FGADHM CC(C)[C@@H]1C[C@@H]1C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000185311861 496727726 /nfs/dbraw/zinc/72/77/26/496727726.db2.gz LYGUZNTXSVPUJJ-QWRGUYRKSA-N -1 3 364.389 3.308 20 0 FGADHM CC(=CC(=O)N1CCc2c(=O)[n-]cnc2C1)c1ccc(C(F)(F)F)cc1 ZINC000273221657 496744210 /nfs/dbraw/zinc/74/42/10/496744210.db2.gz LCVWFUPQJPMYEQ-DHZHZOJOSA-N -1 3 363.339 3.189 20 0 FGADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3snnc3C(C)(C)C)cc2)n1 ZINC000191389205 496746176 /nfs/dbraw/zinc/74/61/76/496746176.db2.gz POCZISJMVFLCPR-UHFFFAOYSA-N -1 3 369.450 3.147 20 0 FGADHM C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCc2c(=O)[n-]cnc2C1 ZINC000273232140 496746926 /nfs/dbraw/zinc/74/69/26/496746926.db2.gz MPQLGGDAPYLJES-SNVBAGLBSA-N -1 3 366.248 3.253 20 0 FGADHM COc1cccc(C[C@@H](NCc2cc(Cl)cc3c2OCC3)C(=O)[O-])c1 ZINC000277389839 496756882 /nfs/dbraw/zinc/75/68/82/496756882.db2.gz RFUQKRMYYKRVAL-QGZVFWFLSA-N -1 3 361.825 3.069 20 0 FGADHM Cc1cc(C)c(C(=O)CCCC(=O)N2CCc3c(nc[n-]c3=O)C2)c(C)c1 ZINC000273289642 496765050 /nfs/dbraw/zinc/76/50/50/496765050.db2.gz UTLIJKUWXRVPEO-UHFFFAOYSA-N -1 3 367.449 3.045 20 0 FGADHM Cc1cccc2c(=O)c(C(=O)N3CCC[C@H]([C@@H](O)C(F)(F)F)C3)c[n-]c12 ZINC000277457205 496779745 /nfs/dbraw/zinc/77/97/45/496779745.db2.gz IOVIEHOWYPRJOD-MEDUHNTESA-N -1 3 368.355 3.024 20 0 FGADHM COc1ccc(OC)c([C@H]2C[C@H]2C(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)c1 ZINC000188414830 496782483 /nfs/dbraw/zinc/78/24/83/496782483.db2.gz TYAJZMTWPPIZRA-TZMCWYRMSA-N -1 3 368.393 3.133 20 0 FGADHM COc1ccc(OC)c([C@H]2C[C@H]2C(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)c1 ZINC000188414830 496782488 /nfs/dbraw/zinc/78/24/88/496782488.db2.gz TYAJZMTWPPIZRA-TZMCWYRMSA-N -1 3 368.393 3.133 20 0 FGADHM COc1ccc(OC)c([C@H]2C[C@H]2C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)c1 ZINC000188414830 496782491 /nfs/dbraw/zinc/78/24/91/496782491.db2.gz TYAJZMTWPPIZRA-TZMCWYRMSA-N -1 3 368.393 3.133 20 0 FGADHM Cc1cc([N-]C(=O)[C@H](C)S(=O)(=O)Cc2c(C)ccc3ccccc32)on1 ZINC000268784033 496783652 /nfs/dbraw/zinc/78/36/52/496783652.db2.gz ZBNXIGFMWUDDOF-AWEZNQCLSA-N -1 3 372.446 3.387 20 0 FGADHM CC(C)(C)[C@@H](CC(=O)[O-])NCc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000277473091 496783786 /nfs/dbraw/zinc/78/37/86/496783786.db2.gz WFEFOHYYKCZGHX-CQSZACIVSA-N -1 3 354.813 3.039 20 0 FGADHM Cc1ccc(F)cc1CN[C@H](CSCCOc1ccccc1)C(=O)[O-] ZINC000277507221 496797084 /nfs/dbraw/zinc/79/70/84/496797084.db2.gz XWYFQHKKGPXHKK-GOSISDBHSA-N -1 3 363.454 3.489 20 0 FGADHM Cc1cc(C(=O)Oc2ccc(N(C)C(=O)OC(C)(C)C)cc2)[n-]c(=O)n1 ZINC000268831921 496798016 /nfs/dbraw/zinc/79/80/16/496798016.db2.gz LIZCZXMVDOOAMM-UHFFFAOYSA-N -1 3 359.382 3.081 20 0 FGADHM Cc1cc(C)cc(C[C@H](NCc2ccc(Br)o2)C(=O)[O-])c1 ZINC000277530969 496803690 /nfs/dbraw/zinc/80/36/90/496803690.db2.gz ZEYQQHZCUFKDPF-AWEZNQCLSA-N -1 3 352.228 3.444 20 0 FGADHM CCCc1csc(NC([O-])=NOC[C@@H](C)NC(=O)OC(C)(C)C)n1 ZINC000273459330 496812516 /nfs/dbraw/zinc/81/25/16/496812516.db2.gz HLSMBMOVKPDABO-SNVBAGLBSA-N -1 3 358.464 3.062 20 0 FGADHM CCCc1csc(NC(=O)[N-]OC[C@@H](C)NC(=O)OC(C)(C)C)n1 ZINC000273459330 496812518 /nfs/dbraw/zinc/81/25/18/496812518.db2.gz HLSMBMOVKPDABO-SNVBAGLBSA-N -1 3 358.464 3.062 20 0 FGADHM O=S(=O)([N-][C@H]1CCO[C@H](c2ccc(F)cc2)C1)c1ccccc1F ZINC000273518643 496828260 /nfs/dbraw/zinc/82/82/60/496828260.db2.gz NMISIWTWEBNKBJ-HOCLYGCPSA-N -1 3 353.390 3.163 20 0 FGADHM Cc1nnc([C@H](C)[N-]S(=O)(=O)c2ccc(C)c(C(F)(F)F)c2)s1 ZINC000273573809 496843444 /nfs/dbraw/zinc/84/34/44/496843444.db2.gz GWQVNIWKJHHFCX-QMMMGPOBSA-N -1 3 365.402 3.213 20 0 FGADHM CCc1ccc(C(=O)N[C@@H](c2noc(C)n2)c2ccccc2F)c([O-])c1 ZINC000191663780 496849324 /nfs/dbraw/zinc/84/93/24/496849324.db2.gz PRAGSJOWCCJGII-QGZVFWFLSA-N -1 3 355.369 3.305 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N3CC[C@H](C(C)(C)C)[C@H](O)C3)c[n-]c12 ZINC000273639479 496860579 /nfs/dbraw/zinc/86/05/79/496860579.db2.gz UHCCJXSHILRIEE-JKSUJKDBSA-N -1 3 360.429 3.257 20 0 FGADHM Cc1ccc(CN2CCOCC2)cc1NC(=O)c1cc([O-])ccc1Cl ZINC000277729934 496867613 /nfs/dbraw/zinc/86/76/13/496867613.db2.gz QBMGBXIWEUYELY-UHFFFAOYSA-N -1 3 360.841 3.439 20 0 FGADHM CN(C)c1ncccc1NC(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000188665370 496870282 /nfs/dbraw/zinc/87/02/82/496870282.db2.gz ZEIZMHWNSBWVPO-UHFFFAOYSA-N -1 3 361.401 3.337 20 0 FGADHM Cc1ocnc1-c1nc(Cc2nc(=O)c3c(C4CC4)csc3[n-]2)no1 ZINC000273690731 496875411 /nfs/dbraw/zinc/87/54/11/496875411.db2.gz FBSZVDMOMPPCGA-UHFFFAOYSA-N -1 3 355.379 3.212 20 0 FGADHM O=c1nc(Cc2noc([C@@H]3CCCOC3)n2)[n-]c2scc(C3CC3)c21 ZINC000273705681 496880602 /nfs/dbraw/zinc/88/06/02/496880602.db2.gz HCWQCVIUYGAFKN-SNVBAGLBSA-N -1 3 358.423 3.142 20 0 FGADHM O=c1nc(Cc2noc(CC3CCOCC3)n2)[n-]c2scc(C3CC3)c21 ZINC000273737864 496890079 /nfs/dbraw/zinc/89/00/79/496890079.db2.gz LQHQOEYWJZKSMX-UHFFFAOYSA-N -1 3 372.450 3.217 20 0 FGADHM CCC[C@H]1C[C@@H](c2nc(-c3ccc([N-]S(C)(=O)=O)cc3)no2)CCO1 ZINC000273765924 496900642 /nfs/dbraw/zinc/90/06/42/496900642.db2.gz QMRBIQPQKPCQQR-ZFWWWQNUSA-N -1 3 365.455 3.171 20 0 FGADHM O=c1[n-]nc(SC/C=C/c2ccc(Cl)cc2)n1C[C@H]1CCCO1 ZINC000188822008 496919002 /nfs/dbraw/zinc/91/90/02/496919002.db2.gz XDIQVWCRXWSXAB-BAABZTOOSA-N -1 3 351.859 3.209 20 0 FGADHM CC(C)c1cc(C(=O)N2CCS(=O)(=O)C[C@H](C)C2)c([O-])c(C(C)C)c1 ZINC000191888056 496920714 /nfs/dbraw/zinc/92/07/14/496920714.db2.gz PAIJWSULLRIWHW-CQSZACIVSA-N -1 3 367.511 3.146 20 0 FGADHM CC(C)CN(C(=O)c1cccc([C@]2(C)NC(=O)[N-]C2=O)c1)c1ccccc1 ZINC000269334566 496921712 /nfs/dbraw/zinc/92/17/12/496921712.db2.gz OOUHSVFJXLUSAU-NRFANRHFSA-N -1 3 365.433 3.044 20 0 FGADHM CC(C)(C)c1nnc(N2CCC(C(=O)Nc3ccccc3[O-])CC2)s1 ZINC000269371781 496931879 /nfs/dbraw/zinc/93/18/79/496931879.db2.gz PSHKIFAAPTZXOA-UHFFFAOYSA-N -1 3 360.483 3.396 20 0 FGADHM CCc1ccc(C(=O)N[C@@H](c2nccn2C)c2cccc(F)c2)c([O-])c1 ZINC000188889589 496937785 /nfs/dbraw/zinc/93/77/85/496937785.db2.gz YHWVETCXCYAVCN-GOSISDBHSA-N -1 3 353.397 3.347 20 0 FGADHM Cc1ccc2ncc(C(=O)[O-])c(N(C)CC(C)(C)CN3CCOCC3)c2c1 ZINC000574881452 505874970 /nfs/dbraw/zinc/87/49/70/505874970.db2.gz SXHIQHJUQAPISU-UHFFFAOYSA-N -1 3 371.481 3.036 20 0 FGADHM Cc1nc2ccccc2n1CCNC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000188913309 496945667 /nfs/dbraw/zinc/94/56/67/496945667.db2.gz RJSLZTMRGRTGDK-UHFFFAOYSA-N -1 3 363.339 3.499 20 0 FGADHM 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/nfs/dbraw/zinc/96/83/70/505968370.db2.gz KRYPVTGUWIIGKX-JCNLHEQBSA-N -1 3 350.422 3.175 20 0 FGADHM CCCCCc1nnc([N-]C(=O)c2nn(C)cc2Br)s1 ZINC000292503234 498039872 /nfs/dbraw/zinc/03/98/72/498039872.db2.gz BGTPJIGWOWODFA-UHFFFAOYSA-N -1 3 358.265 3.019 20 0 FGADHM CCC1(CC)CCC([N-]S(=O)(=O)c2cnc(NC(C)=O)s2)CC1 ZINC000575364749 505968505 /nfs/dbraw/zinc/96/85/05/505968505.db2.gz DCIBOOGRAOVDHS-UHFFFAOYSA-N -1 3 359.517 3.129 20 0 FGADHM CCS(=O)(=O)[N-]Cc1nc(-c2ccc(Oc3ccc(C)cc3)cc2)no1 ZINC000578566684 505969453 /nfs/dbraw/zinc/96/94/53/505969453.db2.gz DTOMUBPDMYMDDB-UHFFFAOYSA-N -1 3 373.434 3.277 20 0 FGADHM CC(C)CN(CC(=O)[O-])Cc1cc2c(cc1Br)OCCCO2 ZINC000569583979 505970726 /nfs/dbraw/zinc/97/07/26/505970726.db2.gz FDDAHFXYAZYQMC-UHFFFAOYSA-N -1 3 372.259 3.153 20 0 FGADHM Cc1ccc([C@H]2C[C@H](C)N(CC3=Nc4ccccc4S(=O)(=O)[N-]3)C2)cc1 ZINC000330215675 498064994 /nfs/dbraw/zinc/06/49/94/498064994.db2.gz MPLOPKZXDIPBHM-RDJZCZTQSA-N -1 3 369.490 3.195 20 0 FGADHM O=C(COc1cccc(NC(=O)[N-]OCC2CC2)c1)Nc1ccccc1 ZINC000292582573 498067827 /nfs/dbraw/zinc/06/78/27/498067827.db2.gz IHDFKHXEVBKDRL-UHFFFAOYSA-N -1 3 355.394 3.167 20 0 FGADHM CCOC(=O)c1ccc(NC(=O)c2cn(CC)nc2C(F)(F)F)c([O-])c1 ZINC000281246373 498071332 /nfs/dbraw/zinc/07/13/32/498071332.db2.gz JCNDWPHKLMCNOC-UHFFFAOYSA-N -1 3 371.315 3.056 20 0 FGADHM O=S(=O)([N-][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1ccc(Cl)cc1Cl ZINC000330254874 498080651 /nfs/dbraw/zinc/08/06/51/498080651.db2.gz PKVNKILTGVAMQR-GDLCADMTSA-N -1 3 362.278 3.229 20 0 FGADHM CC(C)(C)c1cc(CS(=O)(=O)[N-]c2ccc([C@@H]3CCOC3)cc2)no1 ZINC000578594601 505975939 /nfs/dbraw/zinc/97/59/39/505975939.db2.gz LJIWHZYGBVPTBY-CQSZACIVSA-N -1 3 364.467 3.418 20 0 FGADHM Cc1cccc(C(=O)N2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)c1[O-] ZINC000292638260 498089165 /nfs/dbraw/zinc/08/91/65/498089165.db2.gz TTZQVYMQTQCDPK-LSDHHAIUSA-N -1 3 360.454 3.030 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1ccc(Oc2ccccc2)cn1 ZINC000578598422 505977001 /nfs/dbraw/zinc/97/70/01/505977001.db2.gz BWBHDXCYAMIYHK-UHFFFAOYSA-N -1 3 358.361 3.306 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1ccc(Oc2ccccc2)cn1 ZINC000578598422 505977005 /nfs/dbraw/zinc/97/70/05/505977005.db2.gz BWBHDXCYAMIYHK-UHFFFAOYSA-N -1 3 358.361 3.306 20 0 FGADHM O=C(CCc1ccc2ccccc2c1[O-])N1CCC(Cn2ccnn2)CC1 ZINC000296602149 498115596 /nfs/dbraw/zinc/11/55/96/498115596.db2.gz SUJFAZBJDNYWTI-UHFFFAOYSA-N -1 3 364.449 3.008 20 0 FGADHM Cc1ccc(C(=O)N2CCC23CCN(C(=O)OC(C)(C)C)CC3)c([O-])c1 ZINC000292707390 498116697 /nfs/dbraw/zinc/11/66/97/498116697.db2.gz CLQRAJIPCWVLKB-UHFFFAOYSA-N -1 3 360.454 3.316 20 0 FGADHM CCc1cc(C(=O)N2CCC[C@@H]2c2nc(C(=O)OC)c(C)s2)ccc1[O-] ZINC000292804033 498153017 /nfs/dbraw/zinc/15/30/17/498153017.db2.gz IDYRNUZBVDTRGJ-CQSZACIVSA-N -1 3 374.462 3.483 20 0 FGADHM CC(C)[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)CCO1 ZINC000330620824 498161896 /nfs/dbraw/zinc/16/18/96/498161896.db2.gz ARNUVKBHCMZPKF-DGCLKSJQSA-N -1 3 369.380 3.326 20 0 FGADHM COC(=O)c1[n-]c(=NC[C@H](Cc2ccccc2)C(F)(F)F)sc1C ZINC000572537358 505992401 /nfs/dbraw/zinc/99/24/01/505992401.db2.gz LHVJGRKWTUTZES-LBPRGKRZSA-N -1 3 358.385 3.493 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCN(c4cccs4)CC3)nc2)n1 ZINC000301635158 498199730 /nfs/dbraw/zinc/19/97/30/498199730.db2.gz WETGDJZXWMWFGL-UHFFFAOYSA-N -1 3 367.478 3.195 20 0 FGADHM Cc1ccccc1[C@@H](C)CC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000281597285 498206734 /nfs/dbraw/zinc/20/67/34/498206734.db2.gz CYLCEVIYRIVZNI-AWEZNQCLSA-N -1 3 370.415 3.406 20 0 FGADHM O=C(Nc1nnc(-c2ccco2)[n-]1)[C@H]1CCn2c(cnc2-c2ccccc2)C1 ZINC000364926311 498212480 /nfs/dbraw/zinc/21/24/80/498212480.db2.gz ZIZLBSJEAIZWOT-AWEZNQCLSA-N -1 3 374.404 3.129 20 0 FGADHM O=C(Nc1nc(-c2ccco2)n[n-]1)[C@H]1CCn2c(cnc2-c2ccccc2)C1 ZINC000364926311 498212488 /nfs/dbraw/zinc/21/24/88/498212488.db2.gz ZIZLBSJEAIZWOT-AWEZNQCLSA-N -1 3 374.404 3.129 20 0 FGADHM O=C(Nc1n[n-]c(-c2ccco2)n1)[C@H]1CCn2c(cnc2-c2ccccc2)C1 ZINC000364926311 498212493 /nfs/dbraw/zinc/21/24/93/498212493.db2.gz ZIZLBSJEAIZWOT-AWEZNQCLSA-N -1 3 374.404 3.129 20 0 FGADHM CCC(CC)c1n[n-]c(=NC(=O)N(C)[C@H](C)C2CCN(C)CC2)s1 ZINC000330896394 498213157 /nfs/dbraw/zinc/21/31/57/498213157.db2.gz SRISNPZCXXECQD-GFCCVEGCSA-N -1 3 353.536 3.058 20 0 FGADHM O=C([N-]CC1CCN(C(=O)c2ccc3ccccc3c2)CC1)C(F)(F)F ZINC000281619005 498215283 /nfs/dbraw/zinc/21/52/83/498215283.db2.gz FPLCTWGFYDRRQJ-UHFFFAOYSA-N -1 3 364.367 3.371 20 0 FGADHM C[C@H](NC(=O)NCc1ccc([O-])c(F)c1)[C@H]1OCCc2sccc21 ZINC000293013296 498234804 /nfs/dbraw/zinc/23/48/04/498234804.db2.gz OCMZAOSXLZXHDR-MGPLVRAMSA-N -1 3 350.415 3.095 20 0 FGADHM C[C@H](NC(=O)NCc1ccc([O-])c(F)c1)[C@@H]1OCCc2sccc21 ZINC000293013299 498235446 /nfs/dbraw/zinc/23/54/46/498235446.db2.gz OCMZAOSXLZXHDR-QFYYESIMSA-N -1 3 350.415 3.095 20 0 FGADHM C[C@@H](CCC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)c1ccccc1 ZINC000281680233 498235560 /nfs/dbraw/zinc/23/55/60/498235560.db2.gz KNMACRUIPIERQK-AWEZNQCLSA-N -1 3 370.415 3.487 20 0 FGADHM Cc1c(Br)cccc1-n1c([O-])c(CC(F)(F)F)[nH]c1=O ZINC000285918135 498240502 /nfs/dbraw/zinc/24/05/02/498240502.db2.gz IQXKSLXWTCLKHA-QMMMGPOBSA-N -1 3 351.122 3.135 20 0 FGADHM [O-]c1ccc(CNc2ccc3nnc(C(F)F)n3n2)cc1Br ZINC000301744530 498248169 /nfs/dbraw/zinc/24/81/69/498248169.db2.gz ZYIBEDGBSKBVMP-UHFFFAOYSA-N -1 3 370.157 3.142 20 0 FGADHM O=c1[n-]cnc2c1CN(c1ncnc3sc(-c4ccccc4)cc31)CC2 ZINC000301758533 498253725 /nfs/dbraw/zinc/25/37/25/498253725.db2.gz AMQMEBVEMVSQTR-UHFFFAOYSA-N -1 3 361.430 3.417 20 0 FGADHM O=S(=O)([N-]CCNc1ccnc2ccc(Cl)cc21)c1cccs1 ZINC000301779458 498260425 /nfs/dbraw/zinc/26/04/25/498260425.db2.gz MTMHRKLLVMLGSE-UHFFFAOYSA-N -1 3 367.883 3.340 20 0 FGADHM C[C@H]([N-]c1nc(-c2cc(Cl)cc(Cl)c2)no1)[C@H]1CN(C)CCO1 ZINC000301799833 498268986 /nfs/dbraw/zinc/26/89/86/498268986.db2.gz ZWUSOQKGJSQPGP-TVQRCGJNSA-N -1 3 357.241 3.174 20 0 FGADHM CC(=O)N1c2ccccc2C[C@H]1C(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000365043188 498269668 /nfs/dbraw/zinc/26/96/68/498269668.db2.gz NTVCELHJONNFNR-ACJLOTCBSA-N -1 3 350.418 3.210 20 0 FGADHM C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCN2C(=O)NCc2ccc([O-])c(F)c2)C1 ZINC000281801540 498274768 /nfs/dbraw/zinc/27/47/68/498274768.db2.gz IKEHWRRCCDFKBJ-IRWJRLHMSA-N -1 3 350.434 3.002 20 0 FGADHM COCc1nc(CNCc2ccc(OC)c([O-])c2Br)cs1 ZINC000289746622 498275046 /nfs/dbraw/zinc/27/50/46/498275046.db2.gz HVOHMIPWWOHYCD-UHFFFAOYSA-N -1 3 373.272 3.056 20 0 FGADHM Cc1c([O-])ccc2c(CN3CC[C@H](n4cc(Cl)cn4)C3)cc(=O)oc12 ZINC000289753967 498278013 /nfs/dbraw/zinc/27/80/13/498278013.db2.gz FNAMNMNZYJMOJA-AWEZNQCLSA-N -1 3 359.813 3.104 20 0 FGADHM CC(C)n1nc(-c2ccco2)cc1-n1c([O-])c(CC(F)(F)F)[nH]c1=O ZINC000286051350 498278357 /nfs/dbraw/zinc/27/83/57/498278357.db2.gz ORAYYIBJUQVZGH-JTQLQIEISA-N -1 3 356.304 3.101 20 0 FGADHM O=C([O-])CN(CCOCC1CCC1)Cc1cccc(Br)c1 ZINC000581553999 506014215 /nfs/dbraw/zinc/01/42/15/506014215.db2.gz NVLLADRPESBPMQ-UHFFFAOYSA-N -1 3 356.260 3.152 20 0 FGADHM Cc1c(-n2c([O-])c(CC(F)(F)F)[nH]c2=O)cnn1-c1ccc(Cl)cc1 ZINC000289851504 498322064 /nfs/dbraw/zinc/32/20/64/498322064.db2.gz FPEDQDULQNHHCC-LLVKDONJSA-N -1 3 372.734 3.211 20 0 FGADHM O=S(=O)([N-][C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1)c1cscn1 ZINC000578763825 506015693 /nfs/dbraw/zinc/01/56/93/506015693.db2.gz MJALVECNTQXLCA-UMSPYCQHSA-N -1 3 362.398 3.386 20 0 FGADHM CN(C)c1n[nH]c([N-]C(=O)c2sc3ccccc3c2Br)n1 ZINC000581580167 506019269 /nfs/dbraw/zinc/01/92/69/506019269.db2.gz LIUSTNPBPHQCQH-UHFFFAOYSA-N -1 3 366.244 3.100 20 0 FGADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000331495160 498350223 /nfs/dbraw/zinc/35/02/23/498350223.db2.gz JEYZQHRIJMOCMR-LLVKDONJSA-N -1 3 357.311 3.009 20 0 FGADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000331495160 498350230 /nfs/dbraw/zinc/35/02/30/498350230.db2.gz JEYZQHRIJMOCMR-LLVKDONJSA-N -1 3 357.311 3.009 20 0 FGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000331495160 498350237 /nfs/dbraw/zinc/35/02/37/498350237.db2.gz JEYZQHRIJMOCMR-LLVKDONJSA-N -1 3 357.311 3.009 20 0 FGADHM O=C([O-])c1cnc2cc3c(cc2c1N1CCC(OCC2CC2)CC1)OCO3 ZINC000569813967 506022586 /nfs/dbraw/zinc/02/25/86/506022586.db2.gz QDTLQGVEAZLMMX-UHFFFAOYSA-N -1 3 370.405 3.057 20 0 FGADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)c2cc(F)c[nH]2)CC1 ZINC000293469241 498395492 /nfs/dbraw/zinc/39/54/92/498395492.db2.gz UCBUJFQMUOWJMM-UHFFFAOYSA-N -1 3 365.792 3.004 20 0 FGADHM CC(F)(F)c1ccc(C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000293473520 498396499 /nfs/dbraw/zinc/39/64/99/498396499.db2.gz UKIGFVQUSARULX-UHFFFAOYSA-N -1 3 374.387 3.102 20 0 FGADHM CCCCOc1ccc([C@@H](C)[N-]S(=O)(=O)c2cscn2)cc1OC ZINC000569840038 506028342 /nfs/dbraw/zinc/02/83/42/506028342.db2.gz QRTIILFHTJCJFL-GFCCVEGCSA-N -1 3 370.496 3.370 20 0 FGADHM COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)c2ccc(C(C)C)cc2[O-])C1 ZINC000286518125 498424046 /nfs/dbraw/zinc/42/40/46/498424046.db2.gz XGRFYIQWEPNHQN-MRXNPFEDSA-N -1 3 359.344 3.083 20 0 FGADHM O=c1cc(CN2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)nc(C2CC2)[n-]1 ZINC000581652850 506037639 /nfs/dbraw/zinc/03/76/39/506037639.db2.gz QOYPSFPWOXAKIP-CYBMUJFWSA-N -1 3 367.375 3.112 20 0 FGADHM Cc1ccc([O-])c(NC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)n1 ZINC000331848588 498475447 /nfs/dbraw/zinc/47/54/47/498475447.db2.gz VURAXTCNRLCNMZ-AWEZNQCLSA-N -1 3 373.840 3.240 20 0 FGADHM O=C(Nc1nnc(-c2c(F)cccc2F)[n-]1)c1cccc2c1CC(=O)CC2 ZINC000575960580 506042397 /nfs/dbraw/zinc/04/23/97/506042397.db2.gz QGONPOQCVNTARX-UHFFFAOYSA-N -1 3 368.343 3.060 20 0 FGADHM O=C(Nc1nc(-c2c(F)cccc2F)n[n-]1)c1cccc2c1CC(=O)CC2 ZINC000575960580 506042399 /nfs/dbraw/zinc/04/23/99/506042399.db2.gz QGONPOQCVNTARX-UHFFFAOYSA-N -1 3 368.343 3.060 20 0 FGADHM O=C(Nc1n[n-]c(-c2c(F)cccc2F)n1)c1cccc2c1CC(=O)CC2 ZINC000575960580 506042402 /nfs/dbraw/zinc/04/24/02/506042402.db2.gz QGONPOQCVNTARX-UHFFFAOYSA-N -1 3 368.343 3.060 20 0 FGADHM COc1ccc(CN[C@H]2CCCc3nn(C)cc32)c(Br)c1[O-] ZINC000282412224 498502515 /nfs/dbraw/zinc/50/25/15/498502515.db2.gz AWNGWQVCNOHWSC-LBPRGKRZSA-N -1 3 366.259 3.064 20 0 FGADHM O=S(=O)([N-]C[C@H]1CCCC(F)(F)C1)c1cnc(-c2ccccc2)nc1 ZINC000578884658 506044457 /nfs/dbraw/zinc/04/44/57/506044457.db2.gz WRNIAEBNQGNOFV-ZDUSSCGKSA-N -1 3 367.421 3.247 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCCC[C@@H]2c2nc(C)cs2)c1 ZINC000331928055 498503629 /nfs/dbraw/zinc/50/36/29/498503629.db2.gz PHNYRDMUBMHOTB-OAHLLOKOSA-N -1 3 359.451 3.483 20 0 FGADHM CCCCc1ccc(NC(=O)N2CCC[C@@H]2C[C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000286804794 498514294 /nfs/dbraw/zinc/51/42/94/498514294.db2.gz AXGBSYFBBRPUAE-UZLBHIALSA-N -1 3 372.469 3.014 20 0 FGADHM Cc1ccc([C@H]2C[C@H]2C(=O)Nc2cc(C)ccc2[N-]S(C)(=O)=O)s1 ZINC000365570545 498537225 /nfs/dbraw/zinc/53/72/25/498537225.db2.gz WOVLGAAHPSFFQY-QWHCGFSZSA-N -1 3 364.492 3.479 20 0 FGADHM C/C(=C\C(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1)c1cccc(F)c1 ZINC000290407359 498541667 /nfs/dbraw/zinc/54/16/67/498541667.db2.gz QLBRSLFNMZVZBU-RPHSKFLZSA-N -1 3 372.362 3.146 20 0 FGADHM O=C(Nc1ccccc1[O-])C1CCN(C(=O)NCC2=CCCCC2)CC1 ZINC000297714501 498545169 /nfs/dbraw/zinc/54/51/69/498545169.db2.gz SALYPPNRVGVUOZ-UHFFFAOYSA-N -1 3 357.454 3.253 20 0 FGADHM CC(C)[C@H](O)C1(C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000332111724 498565166 /nfs/dbraw/zinc/56/51/66/498565166.db2.gz FKPCKMBIJUKTAI-ZDUSSCGKSA-N -1 3 352.283 3.069 20 0 FGADHM CCOc1cc(CN(C)Cc2ccc(C(=O)NC)cc2)cc(Cl)c1[O-] ZINC000297858458 498589710 /nfs/dbraw/zinc/58/97/10/498589710.db2.gz OZQXXYRGFKBAEJ-UHFFFAOYSA-N -1 3 362.857 3.436 20 0 FGADHM O=C(NCCCOCCOCc1ccccc1)c1cc([O-])ccc1Cl ZINC000290618516 498621786 /nfs/dbraw/zinc/62/17/86/498621786.db2.gz FPTSYGCSCYUNID-UHFFFAOYSA-N -1 3 363.841 3.399 20 0 FGADHM CC1(C)C[C@@H](NC(=O)c2ccc([N-]S(C)(=O)=O)cc2)c2ccccc21 ZINC000332266353 498625097 /nfs/dbraw/zinc/62/50/97/498625097.db2.gz FOFSTEJGBBSRPO-QGZVFWFLSA-N -1 3 358.463 3.211 20 0 FGADHM CCC(=O)c1ccc([O-])c(NC(=O)C2CCN([C@H]3CCSC3)CC2)c1 ZINC000332289195 498636600 /nfs/dbraw/zinc/63/66/00/498636600.db2.gz JANPWWDEYPHWSK-HNNXBMFYSA-N -1 3 362.495 3.141 20 0 FGADHM COCC1(CC[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000581819294 506067223 /nfs/dbraw/zinc/06/72/23/506067223.db2.gz NGOMQFUKQFGQAE-UHFFFAOYSA-N -1 3 371.808 3.454 20 0 FGADHM COc1cc(C)cc2c1OCC[C@@H]2NC(=O)c1c[n-]c2ccccc2c1=O ZINC000363118825 498659412 /nfs/dbraw/zinc/65/94/12/498659412.db2.gz DMABTPGWDBZPBP-KRWDZBQOSA-N -1 3 364.401 3.099 20 0 FGADHM CC(C)CO[C@H](C)c1noc(CN(C)Cc2c(F)ccc([O-])c2F)n1 ZINC000294336062 498661004 /nfs/dbraw/zinc/66/10/04/498661004.db2.gz RVCFVYDXBXQGJI-LLVKDONJSA-N -1 3 355.385 3.419 20 0 FGADHM O=C([N-]C[C@@H]1CCCN(c2cncc(-c3ccccc3)n2)C1)C(F)(F)F ZINC000290744678 498664729 /nfs/dbraw/zinc/66/47/29/498664729.db2.gz RVTVNLULVBUSNH-ZDUSSCGKSA-N -1 3 364.371 3.039 20 0 FGADHM CN(C)CCN(Cc1ccco1)C(=O)c1cccc(C(F)(F)F)c1[O-] ZINC000579002800 506071985 /nfs/dbraw/zinc/07/19/85/506071985.db2.gz UXJRRVNCIBYOGO-UHFFFAOYSA-N -1 3 356.344 3.208 20 0 FGADHM C[C@@H]1CN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)[C@H]1C ZINC000294389946 498678440 /nfs/dbraw/zinc/67/84/40/498678440.db2.gz YEILHKWJBDCFSY-VCBZYWHSSA-N -1 3 352.434 3.120 20 0 FGADHM O=S(=O)([N-]Cc1noc2c1CCCC2)c1cccc(Cl)c1Cl ZINC000581846674 506072928 /nfs/dbraw/zinc/07/29/28/506072928.db2.gz BOUJHIMPHWXBBF-UHFFFAOYSA-N -1 3 361.250 3.339 20 0 FGADHM Cn1cc(-c2cncc(C(=O)Nc3cc(C(F)(F)F)ccc3[O-])c2)cn1 ZINC000363171615 498685693 /nfs/dbraw/zinc/68/56/93/498685693.db2.gz AMEXGRPMMMABMI-UHFFFAOYSA-N -1 3 362.311 3.459 20 0 FGADHM CCOc1cc(CN[C@@H](CC(F)(F)F)C(=O)OC)cc(Cl)c1[O-] ZINC000298204434 498693643 /nfs/dbraw/zinc/69/36/43/498693643.db2.gz YHHGTIZSIMQFDN-JTQLQIEISA-N -1 3 355.740 3.028 20 0 FGADHM Cc1cnc(NC(=O)CCc2c(C)nc(C)[n-]c2=O)nc1-c1ccccc1 ZINC000298232085 498703471 /nfs/dbraw/zinc/70/34/71/498703471.db2.gz BCBKDZUMRTUFFM-UHFFFAOYSA-N -1 3 363.421 3.136 20 0 FGADHM CC(C)[C@@H](C)NC(=O)C1CCN(C(=O)c2cc3c(cc2[O-])CCCC3)CC1 ZINC000332519175 498709726 /nfs/dbraw/zinc/70/97/26/498709726.db2.gz LHHWMZVZSNPYBR-OAHLLOKOSA-N -1 3 372.509 3.284 20 0 FGADHM CCc1ccc(NC(=O)N2CCN(C(=O)c3cccc([O-])c3)CC2)cc1C ZINC000332543094 498719476 /nfs/dbraw/zinc/71/94/76/498719476.db2.gz DYMPRRKAIXDPSH-UHFFFAOYSA-N -1 3 367.449 3.253 20 0 FGADHM CCOc1nc2ccc(C(=O)Nc3cccc(-c4nncn4C)c3)cc2[n-]1 ZINC000365985340 498719858 /nfs/dbraw/zinc/71/98/58/498719858.db2.gz CCYMSIBSPFPHIP-UHFFFAOYSA-N -1 3 362.393 3.009 20 0 FGADHM CCOc1nc2cc(C(=O)Nc3cccc(-c4nncn4C)c3)ccc2[n-]1 ZINC000365985340 498719866 /nfs/dbraw/zinc/71/98/66/498719866.db2.gz CCYMSIBSPFPHIP-UHFFFAOYSA-N -1 3 362.393 3.009 20 0 FGADHM O=C(NC1CCN(c2cccc(F)c2)CC1)c1cc(=O)c2ccccc2[n-]1 ZINC000363239586 498721619 /nfs/dbraw/zinc/72/16/19/498721619.db2.gz YGKNKAAHSNOOSZ-UHFFFAOYSA-N -1 3 365.408 3.066 20 0 FGADHM O=C(NC1CCOCC1)c1ccc(NCc2c(F)ccc([O-])c2F)cc1 ZINC000290981115 498743739 /nfs/dbraw/zinc/74/37/39/498743739.db2.gz RMWSGYGKVLKLAW-UHFFFAOYSA-N -1 3 362.376 3.191 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(NCC3(C(=O)OC)CCCCC3)nc2)n1 ZINC000572928310 506085087 /nfs/dbraw/zinc/08/50/87/506085087.db2.gz TZIUMUBCJYCKFF-UHFFFAOYSA-N -1 3 370.453 3.342 20 0 FGADHM CC[C@@H](O)[C@@H](CC)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000313101922 498766059 /nfs/dbraw/zinc/76/60/59/498766059.db2.gz VBHZEQMFCUDUMP-GHMZBOCLSA-N -1 3 359.797 3.187 20 0 FGADHM COc1ccc(C(=O)NCCc2ccc(Br)cc2)c([O-])c1 ZINC000314200407 498774171 /nfs/dbraw/zinc/77/41/71/498774171.db2.gz SOUAYWVMEYYSMY-UHFFFAOYSA-N -1 3 350.212 3.136 20 0 FGADHM CCc1cc(=O)[n-]c(CN2CCC3(C[C@@H]3c3nnc(C(C)C)o3)CC2)n1 ZINC000366101059 498776056 /nfs/dbraw/zinc/77/60/56/498776056.db2.gz CMYPQVVTCSVIPD-CQSZACIVSA-N -1 3 357.458 3.021 20 0 FGADHM COc1ccc2c(c1)[n-]cc(C(=O)N1CCCC[C@@H]1c1cc[nH]n1)c2=O ZINC000298462796 498778674 /nfs/dbraw/zinc/77/86/74/498778674.db2.gz QTLQCJRUUGHNCQ-QGZVFWFLSA-N -1 3 352.394 3.040 20 0 FGADHM O=C(c1cc([O-])ccc1C(F)(F)F)N1CCC(c2ccncn2)CC1 ZINC000298460544 498778860 /nfs/dbraw/zinc/77/88/60/498778860.db2.gz SWBUAOKNZCCHCL-UHFFFAOYSA-N -1 3 351.328 3.221 20 0 FGADHM CSCCON=C([O-])Nc1nc2c(cccc2Br)s1 ZINC000287520472 498784995 /nfs/dbraw/zinc/78/49/95/498784995.db2.gz VHLOLBDMQWGKNS-UHFFFAOYSA-N -1 3 362.274 3.475 20 0 FGADHM CSCCO[N-]C(=O)Nc1nc2c(cccc2Br)s1 ZINC000287520472 498784999 /nfs/dbraw/zinc/78/49/99/498784999.db2.gz VHLOLBDMQWGKNS-UHFFFAOYSA-N -1 3 362.274 3.475 20 0 FGADHM COc1cc(Br)c(CN[C@@H]2CCC[C@H](C(=O)[O-])C2)cc1OC ZINC000316123434 498787233 /nfs/dbraw/zinc/78/72/33/498787233.db2.gz TVNQJWJSSBPIOY-CMPLNLGQSA-N -1 3 372.259 3.199 20 0 FGADHM CC(C)C[C@@H](CO)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000316563893 498789123 /nfs/dbraw/zinc/78/91/23/498789123.db2.gz BLOUVXXROYXUIF-JTQLQIEISA-N -1 3 359.797 3.044 20 0 FGADHM COc1cccc([C@@H]2[C@@H](NC(=O)c3cc([O-])ccc3F)CCN2C2CC2)c1 ZINC000572949544 506090325 /nfs/dbraw/zinc/09/03/25/506090325.db2.gz ZOIVETYFGQQPFN-VQTJNVASSA-N -1 3 370.424 3.248 20 0 FGADHM CCc1cc(C(=O)N2CCC(O)(Cc3ccccc3OC)CC2)ccc1[O-] ZINC000366182116 498810758 /nfs/dbraw/zinc/81/07/58/498810758.db2.gz WWYVVBOQJXBRAF-UHFFFAOYSA-N -1 3 369.461 3.173 20 0 FGADHM COc1cc(C(=O)N=c2[nH][n-]c(C)c2-c2ccncc2)ccc1OC(C)C ZINC000366224132 498830165 /nfs/dbraw/zinc/83/01/65/498830165.db2.gz OFAKMGPEVJNAQY-UHFFFAOYSA-N -1 3 366.421 3.250 20 0 FGADHM COCCOc1cccc([N-]S(=O)(=O)c2c(C)cc(F)cc2C)c1 ZINC000326440190 498842441 /nfs/dbraw/zinc/84/24/41/498842441.db2.gz WFFCOAQQZFFZAS-UHFFFAOYSA-N -1 3 353.415 3.269 20 0 FGADHM COc1cc([N-]S(=O)(=O)c2c(C)cc(F)cc2C)ccc1NC(C)=O ZINC000327707857 498863181 /nfs/dbraw/zinc/86/31/81/498863181.db2.gz ZGMXRPGQCYVDIC-UHFFFAOYSA-N -1 3 366.414 3.210 20 0 FGADHM CN(Cc1nc2ccsc2c(=O)[n-]1)C[C@H](O)Cc1cccc(Cl)c1 ZINC000287806414 498869473 /nfs/dbraw/zinc/86/94/73/498869473.db2.gz OVTLLFGGMICANE-CYBMUJFWSA-N -1 3 363.870 3.086 20 0 FGADHM CC1(C)Cc2ccc(C(=O)N[C@H]3CCCO[C@@H]3c3ccncc3)c([O-])c2O1 ZINC000333037721 498877115 /nfs/dbraw/zinc/87/71/15/498877115.db2.gz IWVBUHVJBIQDHE-FUHWJXTLSA-N -1 3 368.433 3.151 20 0 FGADHM CC(C)c1nc([C@@H]2CCCCCN2C(=O)c2cc(F)cc3[n-]nnc32)no1 ZINC000328642324 498886085 /nfs/dbraw/zinc/88/60/85/498886085.db2.gz DRSJHNHVZCTECU-AWEZNQCLSA-N -1 3 372.404 3.361 20 0 FGADHM CC(C)c1nc([C@@H]2CCCCCN2C(=O)c2cc(F)cc3nn[n-]c32)no1 ZINC000328642324 498886090 /nfs/dbraw/zinc/88/60/90/498886090.db2.gz DRSJHNHVZCTECU-AWEZNQCLSA-N -1 3 372.404 3.361 20 0 FGADHM CC(C)c1nc([C@@H]2CCCCCN2C(=O)c2cc(F)cc3n[n-]nc32)no1 ZINC000328642324 498886094 /nfs/dbraw/zinc/88/60/94/498886094.db2.gz DRSJHNHVZCTECU-AWEZNQCLSA-N -1 3 372.404 3.361 20 0 FGADHM Cn1nc([C@H]2CCCOC2)cc1NC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000333067751 498889183 /nfs/dbraw/zinc/88/91/83/498889183.db2.gz OGNJIWZPODNJKX-AWEZNQCLSA-N -1 3 355.438 3.151 20 0 FGADHM CC1(C)Cc2ccc(C(=O)N3CC4(CCC4)[C@@H]3[C@@H]3CCCO3)c([O-])c2O1 ZINC000333075426 498891857 /nfs/dbraw/zinc/89/18/57/498891857.db2.gz PKHCBDOIVODYCP-YJBOKZPZSA-N -1 3 357.450 3.279 20 0 FGADHM CC1(C)Cc2ccc(C(=O)N3CC4(CCC4)[C@H]3[C@H]3CCCO3)c([O-])c2O1 ZINC000333075423 498892142 /nfs/dbraw/zinc/89/21/42/498892142.db2.gz PKHCBDOIVODYCP-CRAIPNDOSA-N -1 3 357.450 3.279 20 0 FGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2C[C@H](C)n3ccnc32)c1Cl ZINC000333079980 498892342 /nfs/dbraw/zinc/89/23/42/498892342.db2.gz LSVFRSMPCPJQQH-GXSJLCMTSA-N -1 3 360.266 3.483 20 0 FGADHM O=S(=O)([N-][C@H]1CC12CCOCC2)c1cc(Cl)ccc1C(F)(F)F ZINC000333085325 498894213 /nfs/dbraw/zinc/89/42/13/498894213.db2.gz MYCVZYBJYZVIQK-LBPRGKRZSA-N -1 3 369.792 3.206 20 0 FGADHM O=c1nc(CN[C@@H](c2ccc3c(c2)OCCO3)C2CC2)[n-]c2ccsc21 ZINC000298978497 498930722 /nfs/dbraw/zinc/93/07/22/498930722.db2.gz PJWYFEFBLKITEX-QGZVFWFLSA-N -1 3 369.446 3.409 20 0 FGADHM C[C@@]12CCCN1C[C@H](c1noc(-c3cc4c(cc3[O-])CCCC4)n1)OC2 ZINC000333208154 498937172 /nfs/dbraw/zinc/93/71/72/498937172.db2.gz BBAQXLJMBTXLLA-XLIONFOSSA-N -1 3 355.438 3.247 20 0 FGADHM CCc1cc(C(=O)NCc2ccc(-n3nc(C)cc3C)nc2)ccc1[O-] ZINC000291447903 498943867 /nfs/dbraw/zinc/94/38/67/498943867.db2.gz JNBCAWATZBGMER-UHFFFAOYSA-N -1 3 350.422 3.082 20 0 FGADHM Cc1cc([C@H]2CCCN(C(=O)c3ccc(Br)cc3[O-])C2)n[nH]1 ZINC000283664741 498951483 /nfs/dbraw/zinc/95/14/83/498951483.db2.gz UWAFEPKEJXSRPU-NSHDSACASA-N -1 3 364.243 3.206 20 0 FGADHM O=C([O-])c1cnc2ccccc2c1N1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000573094275 506117453 /nfs/dbraw/zinc/11/74/53/506117453.db2.gz UYAIANCZMFIUDX-ZUZCIYMTSA-N -1 3 354.328 3.073 20 0 FGADHM COC[C@H]([N-]S(=O)(=O)C[C@@H]1CCCCC1(F)F)c1ccc(C)o1 ZINC000295253696 498957286 /nfs/dbraw/zinc/95/72/86/498957286.db2.gz QQRURMLQWIISLJ-STQMWFEESA-N -1 3 351.415 3.020 20 0 FGADHM CCc1cc(C(=O)N2CCC(NC(=O)Oc3ccccc3)CC2)ccc1[O-] ZINC000291495251 498964803 /nfs/dbraw/zinc/96/48/03/498964803.db2.gz LXUOORSBBZDEMN-UHFFFAOYSA-N -1 3 368.433 3.348 20 0 FGADHM Cc1cccc([C@@H](NC(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)C(F)(F)F)c1 ZINC000576279276 506119974 /nfs/dbraw/zinc/11/99/74/506119974.db2.gz ABAGFYKHCTVOQR-DZGCQCFKSA-N -1 3 368.359 3.417 20 0 FGADHM O=C([O-])[C@@H]1CCO[C@H]1C1CCN(Cc2cc(F)cc3cccnc32)CC1 ZINC000576286134 506121724 /nfs/dbraw/zinc/12/17/24/506121724.db2.gz KCTYOSJNSRKDQJ-MJGOQNOKSA-N -1 3 358.413 3.076 20 0 FGADHM COc1cccc(CO[C@H](C)c2nc(-c3ccc4n[n-]nc4c3)no2)c1 ZINC000576287098 506122219 /nfs/dbraw/zinc/12/22/19/506122219.db2.gz IEEAAWBHAWHEAA-LLVKDONJSA-N -1 3 351.366 3.294 20 0 FGADHM CC(C)(C)OC(=O)N1CC[C@]2(C[C@@H]2C(=O)Nc2cccc([O-])c2F)C1 ZINC000363766400 498982738 /nfs/dbraw/zinc/98/27/38/498982738.db2.gz HEKALQMDTJMHBC-ZMZPIMSZSA-N -1 3 350.390 3.117 20 0 FGADHM O=S(=O)(C[C@H]1CCCC1(F)F)[N-]C1(c2nccs2)CCCC1 ZINC000333379901 498995986 /nfs/dbraw/zinc/99/59/86/498995986.db2.gz FJMDNBBHWCNDBU-LLVKDONJSA-N -1 3 350.456 3.267 20 0 FGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000291593339 499004756 /nfs/dbraw/zinc/00/47/56/499004756.db2.gz DRQXYQABXTZXCZ-PBHICJAKSA-N -1 3 370.497 3.209 20 0 FGADHM C[C@@H](NC(=O)c1csc(=O)[n-]1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000363833226 499017759 /nfs/dbraw/zinc/01/77/59/499017759.db2.gz XDKJITGICRJAKF-SSDOTTSWSA-N -1 3 350.787 3.043 20 0 FGADHM Cc1ccc(CS(=O)(=O)[N-][C@H](C)c2nc(Cc3ccccc3)no2)cc1 ZINC000288431965 499023745 /nfs/dbraw/zinc/02/37/45/499023745.db2.gz SWKQNZHTOSIDAF-OAHLLOKOSA-N -1 3 371.462 3.149 20 0 FGADHM C[C@@H]1CCN(C(=O)c2cn(CCc3ccccc3)nn2)c2c([O-])cccc21 ZINC000295467531 499026661 /nfs/dbraw/zinc/02/66/61/499026661.db2.gz XTDFZPKJOFNXPQ-OAHLLOKOSA-N -1 3 362.433 3.380 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N3CCC[C@H]3[C@H]3CCCC3=O)c[n-]c12 ZINC000288455080 499029548 /nfs/dbraw/zinc/02/95/48/499029548.db2.gz PPOPVHZIQOIKDL-CJNGLKHVSA-N -1 3 356.397 3.362 20 0 FGADHM Cc1ccc(CS(=O)(=O)[N-][C@@H](c2nc(C3CC3)no2)C(C)C)cc1C ZINC000288476256 499035509 /nfs/dbraw/zinc/03/55/09/499035509.db2.gz XGIRQGYDNARVNK-MRXNPFEDSA-N -1 3 363.483 3.381 20 0 FGADHM O=C(N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1)c1cc([O-])c2ccccc2c1 ZINC000366697322 499036512 /nfs/dbraw/zinc/03/65/12/499036512.db2.gz BZUGWGFTLWTXGW-WBVHZDCISA-N -1 3 352.434 3.066 20 0 FGADHM CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1CC(=O)[N-]OCc1cccnc1 ZINC000295508227 499038430 /nfs/dbraw/zinc/03/84/30/499038430.db2.gz RHOQWDZATXLFGK-JKSUJKDBSA-N -1 3 363.458 3.103 20 0 FGADHM Cc1nc(C)c(CCC(=O)N2CC3(CCC3)[C@@H]2c2ccccc2)c(=O)[n-]1 ZINC000295515962 499039962 /nfs/dbraw/zinc/03/99/62/499039962.db2.gz FTLWVTGDRARKON-IBGZPJMESA-N -1 3 351.450 3.485 20 0 FGADHM Cc1cccnc1C(F)(F)C(=O)[N-][C@H](CCO)c1ccc(Cl)cc1 ZINC000288512073 499045414 /nfs/dbraw/zinc/04/54/14/499045414.db2.gz ZYOBXIXKQBRFNF-CQSZACIVSA-N -1 3 354.784 3.375 20 0 FGADHM COc1cc(C(=O)N2[C@H](C)CO[C@H](c3ccccc3)[C@H]2C)cc(OC)c1[O-] ZINC000363937495 499059581 /nfs/dbraw/zinc/05/95/81/499059581.db2.gz HGXGHWUTWRAHEO-JZKQVHKSSA-N -1 3 371.433 3.400 20 0 FGADHM CC(C)CN(C(=O)C(=O)[N-]c1cnns1)[C@H](C)c1ccccc1Cl ZINC000284180672 499064915 /nfs/dbraw/zinc/06/49/15/499064915.db2.gz GTHYVYSIPSTEAQ-LLVKDONJSA-N -1 3 366.874 3.376 20 0 FGADHM C[C@@]1(C[C@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)NC(=O)[N-]C1=O ZINC000329187584 499066297 /nfs/dbraw/zinc/06/62/97/499066297.db2.gz GXIMQGXAYGCYAN-REDNTKGTSA-N -1 3 359.470 3.227 20 0 FGADHM COc1ccccc1-c1nnc([N-]Cc2nccn2CC(F)(F)F)o1 ZINC000284202724 499068213 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Cc1nn(C)c(S(=O)(=O)[N-]c2c(F)cccc2Cl)c1C(F)F ZINC000414443575 499793052 /nfs/dbraw/zinc/79/30/52/499793052.db2.gz NTHPCIKJZMBTCC-UHFFFAOYSA-N -1 3 353.753 3.259 20 0 FGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]C[C@@H](C)Cn1ccnc1 ZINC000414460600 499794980 /nfs/dbraw/zinc/79/49/80/499794980.db2.gz CRCVUNLXKYVYOT-LLVKDONJSA-N -1 3 367.858 3.206 20 0 FGADHM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(CN(C)C)cc2C)c1 ZINC000414461345 499795119 /nfs/dbraw/zinc/79/51/19/499795119.db2.gz OIXPLZLMQIEIAE-UHFFFAOYSA-N -1 3 360.479 3.450 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]c2ccc(CN(C)C)cc2C)c(F)cc1F ZINC000414464295 499795449 /nfs/dbraw/zinc/79/54/49/499795449.db2.gz TXPSAMZMHZTMCX-UHFFFAOYSA-N -1 3 354.422 3.444 20 0 FGADHM CC(C)(C)OCc1cccc(CNC(=O)c2c[n-]c3ccncc3c2=O)c1 ZINC000411877668 499799128 /nfs/dbraw/zinc/79/91/28/499799128.db2.gz SZASSDKPAKOLQY-UHFFFAOYSA-N -1 3 365.433 3.168 20 0 FGADHM CC[C@H](CN[C@H]1CCN([C@H](C(=O)[O-])c2ccccc2)C1=O)c1ccccc1 ZINC000414649333 499817118 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3.036 20 0 FGADHM O=S(=O)([N-][C@@H]1CCN(c2cccc(Cl)c2)C1)c1ccc(F)c(F)c1 ZINC000431925626 500443935 /nfs/dbraw/zinc/44/39/35/500443935.db2.gz NIKXSUIFASAWJP-GFCCVEGCSA-N -1 3 372.824 3.175 20 0 FGADHM O=S(=O)([N-][C@H]1CCN(c2cccc(Cl)c2)C1)c1ccc(F)c(F)c1 ZINC000431925628 500444021 /nfs/dbraw/zinc/44/40/21/500444021.db2.gz NIKXSUIFASAWJP-LBPRGKRZSA-N -1 3 372.824 3.175 20 0 FGADHM Cc1c([N-]S(=O)(=O)CCc2ccc(Cl)cc2)cnn1CC(C)C ZINC000424059452 500445043 /nfs/dbraw/zinc/44/50/43/500445043.db2.gz FSURLVRRALNBQJ-UHFFFAOYSA-N -1 3 355.891 3.485 20 0 FGADHM Cc1coc(-c2ccc(C)c([N-]S(=O)(=O)CCOCC3CC3)c2)n1 ZINC000424067452 500446348 /nfs/dbraw/zinc/44/63/48/500446348.db2.gz WISAVMVETLIODX-UHFFFAOYSA-N -1 3 350.440 3.127 20 0 FGADHM O=C(N[C@@H]1CCC[C@H](C2CC2)C1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000570565368 506196811 /nfs/dbraw/zinc/19/68/11/506196811.db2.gz HENDFBZYNFXNJA-LZLYRXPVSA-N -1 3 356.466 3.082 20 0 FGADHM COc1cc2c(cc1F)[n-]cc(C(=O)Nc1cc(C3CC3)ccn1)c2=O ZINC000428082430 500466676 /nfs/dbraw/zinc/46/66/76/500466676.db2.gz ZNCMKRCZIYGUBN-UHFFFAOYSA-N -1 3 353.353 3.201 20 0 FGADHM Cc1cc(N2CCCC2)ccc1NC(=O)CN1CCCC[C@H]1CCC(=O)[O-] ZINC000424264735 500478240 /nfs/dbraw/zinc/47/82/40/500478240.db2.gz UQHRYXDVUXGJFN-KRWDZBQOSA-N -1 3 373.497 3.253 20 0 FGADHM CO[C@H](CC(C)C)CS(=O)(=O)[N-][C@H](c1ccc(F)cc1)[C@@H]1CCCO1 ZINC000420661806 500484799 /nfs/dbraw/zinc/48/47/99/500484799.db2.gz MATQPSLDBYSJEY-FGTMMUONSA-N -1 3 373.490 3.026 20 0 FGADHM CS(=O)(=O)c1ccc(C(=O)[N-]c2ncc(-c3ccc(F)cc3)s2)o1 ZINC000432215607 500484838 /nfs/dbraw/zinc/48/48/38/500484838.db2.gz ZPLQFCQIIIVJPA-UHFFFAOYSA-N -1 3 366.395 3.198 20 0 FGADHM CCC[C@@H](CCO)C[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000420667507 500485981 /nfs/dbraw/zinc/48/59/81/500485981.db2.gz IPOWLBFUWKARMT-JTQLQIEISA-N -1 3 371.833 3.018 20 0 FGADHM CO[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F)C(C)(C)C ZINC000420668731 500486014 /nfs/dbraw/zinc/48/60/14/500486014.db2.gz KGEIOYKQPYACPZ-LBPRGKRZSA-N -1 3 371.833 3.281 20 0 FGADHM CO[C@@H](CC(C)C)CS(=O)(=O)[N-]C1(c2nc(C)cs2)CCCC1 ZINC000420672460 500486460 /nfs/dbraw/zinc/48/64/60/500486460.db2.gz FJOXOSXCGVBKJN-AWEZNQCLSA-N -1 3 360.545 3.201 20 0 FGADHM CC(C)Cn1cnc(S(=O)(=O)[N-]Cc2ccc(C(C)(F)F)cc2)c1 ZINC000432278588 500492567 /nfs/dbraw/zinc/49/25/67/500492567.db2.gz AMKCXXVVASBIOF-UHFFFAOYSA-N -1 3 357.426 3.129 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]Cc2ccc(C(C)(F)F)cc2)c(F)c1 ZINC000432280386 500492726 /nfs/dbraw/zinc/49/27/26/500492726.db2.gz PYKINCTYBVIELU-UHFFFAOYSA-N -1 3 359.369 3.425 20 0 FGADHM C[C@H]1Oc2ccccc2[C@H]1[N-]S(=O)(=O)c1cc(F)ccc1OC(F)F ZINC000420732563 500492885 /nfs/dbraw/zinc/49/28/85/500492885.db2.gz SBMSECHSNKDQKU-PSLIRLAXSA-N -1 3 373.352 3.228 20 0 FGADHM CCC(CC)(CNC(=O)NCCN1CCC2(CCCCC2)CC1)C(=O)[O-] ZINC000424447412 500507240 /nfs/dbraw/zinc/50/72/40/500507240.db2.gz IEMDCHPLJYWCEC-UHFFFAOYSA-N -1 3 367.534 3.223 20 0 FGADHM CCc1cccc(S(=O)(=O)[N-]c2cccc3c2OCC[C@@H]3N(C)C)c1 ZINC000432488135 500521960 /nfs/dbraw/zinc/52/19/60/500521960.db2.gz CPZQMXBFEZXQED-SFHVURJKSA-N -1 3 360.479 3.435 20 0 FGADHM CN(C)[C@H]1CCOc2c([N-]S(=O)(=O)c3ccc(F)c(F)c3)cccc21 ZINC000432487116 500522014 /nfs/dbraw/zinc/52/20/14/500522014.db2.gz BHIFTCDHBLQWJR-INIZCTEOSA-N -1 3 368.405 3.151 20 0 FGADHM C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)CN1Cc1nc2ccsc2c(=O)[n-]1 ZINC000420927404 500532755 /nfs/dbraw/zinc/53/27/55/500532755.db2.gz OGOVCGIQKOFDKJ-NEPJUHHUSA-N -1 3 363.483 3.339 20 0 FGADHM C[C@H]1C[C@@H](CO)CN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)C1 ZINC000420954720 500540362 /nfs/dbraw/zinc/54/03/62/500540362.db2.gz ZUTRUOBKWWHBGJ-NWDGAFQWSA-N -1 3 359.451 3.107 20 0 FGADHM CCNC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(F)cc2C)c1C ZINC000432638093 500542025 /nfs/dbraw/zinc/54/20/25/500542025.db2.gz XZWYEFOIMMZOHD-UHFFFAOYSA-N -1 3 365.430 3.385 20 0 FGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(NC(=O)[C@@H]2CCC[C@H](F)C2)ccc1F ZINC000424691778 500543203 /nfs/dbraw/zinc/54/32/03/500543203.db2.gz VTBLHLPJQSWHRP-NEPJUHHUSA-N -1 3 374.453 3.369 20 0 FGADHM COC(=O)c1cnc(SCC(=O)N(Cc2ccccc2)[C@@H](C)C2CC2)[n-]1 ZINC000432675879 500546955 /nfs/dbraw/zinc/54/69/55/500546955.db2.gz MSNGJDLLQMGVCF-ZDUSSCGKSA-N -1 3 373.478 3.116 20 0 FGADHM COC(=O)[C@H](CNC(=O)Nc1cccc(C)c1C)Cc1ccc([O-])c(F)c1 ZINC000421029174 500558584 /nfs/dbraw/zinc/55/85/84/500558584.db2.gz IKAVLTSYZXJZEE-HNNXBMFYSA-N -1 3 374.412 3.302 20 0 FGADHM CCc1ccccc1NC(=O)NC[C@@H](Cc1ccc([O-])c(F)c1)C(=O)OC ZINC000421043129 500562649 /nfs/dbraw/zinc/56/26/49/500562649.db2.gz PXKGDLHSTOGCRJ-OAHLLOKOSA-N -1 3 374.412 3.247 20 0 FGADHM Cc1ccc2c(CN3CCCC[C@@H]3CCS(C)(=O)=O)ccc([O-])c2n1 ZINC000428857039 500567237 /nfs/dbraw/zinc/56/72/37/500567237.db2.gz PGHBGJQSGQMWTG-MRXNPFEDSA-N -1 3 362.495 3.038 20 0 FGADHM Cc1nc(C(C)(C)[N-]S(=O)(=O)c2ccc(Cl)c3ccccc32)no1 ZINC000447190001 500574219 /nfs/dbraw/zinc/57/42/19/500574219.db2.gz DHABONFRVXPHIO-UHFFFAOYSA-N -1 3 365.842 3.398 20 0 FGADHM CC(C)c1ccc(C(=O)N2CC(n3cc(-c4ccccc4)nn3)C2)c([O-])c1 ZINC000436938069 500574830 /nfs/dbraw/zinc/57/48/30/500574830.db2.gz TUFZPEWLBSMRMW-UHFFFAOYSA-N -1 3 362.433 3.471 20 0 FGADHM COc1ccccc1-c1noc([C@@H](C)NC(=O)c2ccc([O-])c(C)c2)n1 ZINC000436939594 500575084 /nfs/dbraw/zinc/57/50/84/500575084.db2.gz OZVDACWANOJKEL-GFCCVEGCSA-N -1 3 353.378 3.250 20 0 FGADHM CCN(C(=O)C(=O)c1ccc([O-])cc1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000436956550 500578685 /nfs/dbraw/zinc/57/86/85/500578685.db2.gz SBAFEPARUKXERB-VQIMIIECSA-N -1 3 366.461 3.259 20 0 FGADHM CC(C)NC(=O)[C@H]1CCC[C@@H](NC(=O)c2ccc3c(c2[O-])CCCC3)C1 ZINC000436963641 500580842 /nfs/dbraw/zinc/58/08/42/500580842.db2.gz DUEOUFPHEBSCEH-JKSUJKDBSA-N -1 3 358.482 3.084 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]c2cccc(F)c2-c2nc[nH]n2)cc(C)c1F ZINC000447260264 500580930 /nfs/dbraw/zinc/58/09/30/500580930.db2.gz JIIZKAMNQGQBSV-UHFFFAOYSA-N -1 3 364.377 3.168 20 0 FGADHM CCO[C@@H]1COCC[C@H]1NC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436967867 500581719 /nfs/dbraw/zinc/58/17/19/500581719.db2.gz ZMTPUNMCFCXXRS-IEBWSBKVSA-N -1 3 357.406 3.108 20 0 FGADHM COc1cccc(C(=O)N[C@@H](C)c2ccc(-n3c(C)c[nH]c3=O)cc2)c1[O-] ZINC000436967659 500581926 /nfs/dbraw/zinc/58/19/26/500581926.db2.gz XZWLEQJMDAUHMO-ZDUSSCGKSA-N -1 3 367.405 3.092 20 0 FGADHM CCOC(=O)[C@H]1CCCc2sc(NC(=O)c3ccc(C)cc3[O-])nc21 ZINC000436968352 500581965 /nfs/dbraw/zinc/58/19/65/500581965.db2.gz SYKOWQXQHIPHPI-LBPRGKRZSA-N -1 3 360.435 3.392 20 0 FGADHM CCC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(F)c2-c2nc[nH]n2)c1 ZINC000447272711 500582876 /nfs/dbraw/zinc/58/28/76/500582876.db2.gz DHAFHZQCAMWENM-UHFFFAOYSA-N -1 3 374.397 3.004 20 0 FGADHM Cc1ccc(C)c([C@@H](C)N(C)C[C@@H](O)COc2ccc(C(=O)[O-])cc2)c1 ZINC000576642621 506204416 /nfs/dbraw/zinc/20/44/16/506204416.db2.gz HXEFMLIXARETGX-SJLPKXTDSA-N -1 3 357.450 3.434 20 0 FGADHM CCCCOc1ccc(C(=O)N2CCC[C@H](C(=O)N3CCCC3)C2)c([O-])c1 ZINC000436985274 500587351 /nfs/dbraw/zinc/58/73/51/500587351.db2.gz OBOMNVFBCDQGEF-INIZCTEOSA-N -1 3 374.481 3.046 20 0 FGADHM Cc1ccc(-c2nnc(NC(=O)[C@H](C)Oc3cnc4ccccc4c3)[n-]2)o1 ZINC000437000089 500590417 /nfs/dbraw/zinc/59/04/17/500590417.db2.gz LFXMOFLAGLVERY-LBPRGKRZSA-N -1 3 363.377 3.327 20 0 FGADHM Cc1ccc(-c2n[n-]c(NC(=O)[C@H](C)Oc3cnc4ccccc4c3)n2)o1 ZINC000437000089 500590419 /nfs/dbraw/zinc/59/04/19/500590419.db2.gz LFXMOFLAGLVERY-LBPRGKRZSA-N -1 3 363.377 3.327 20 0 FGADHM Cc1ccc(-c2nc(NC(=O)[C@H](C)Oc3cnc4ccccc4c3)n[n-]2)o1 ZINC000437000089 500590421 /nfs/dbraw/zinc/59/04/21/500590421.db2.gz LFXMOFLAGLVERY-LBPRGKRZSA-N -1 3 363.377 3.327 20 0 FGADHM CCSc1nccnc1C(=O)Nc1cc(Br)ccc1[O-] ZINC000437000768 500590439 /nfs/dbraw/zinc/59/04/39/500590439.db2.gz PKKIFGLINDGQSS-UHFFFAOYSA-N -1 3 354.229 3.309 20 0 FGADHM COc1ccccc1S(=O)(=O)[N-][C@@H](c1cc(F)ccc1F)C(F)F ZINC000432964895 500599191 /nfs/dbraw/zinc/59/91/91/500599191.db2.gz KDJVIEHRNIMPFN-AWEZNQCLSA-N -1 3 363.332 3.258 20 0 FGADHM COc1cc(C(=O)N2CCC(Oc3ccc(F)cc3F)CC2)ccc1[O-] ZINC000442725845 500615553 /nfs/dbraw/zinc/61/55/53/500615553.db2.gz VTMAAZHXFKKZPT-UHFFFAOYSA-N -1 3 363.360 3.363 20 0 FGADHM CCOc1ccc([C@@H]2C[C@H]2NC(=O)c2cc(NC(C)=O)ccc2[O-])cc1 ZINC000437216103 500615606 /nfs/dbraw/zinc/61/56/06/500615606.db2.gz MNIVXYCDFYFPHR-FUHWJXTLSA-N -1 3 354.406 3.035 20 0 FGADHM O=S(=O)([N-]Cc1ccc(Cl)cc1F)c1cnccc1C(F)(F)F ZINC000442741502 500618545 /nfs/dbraw/zinc/61/85/45/500618545.db2.gz HFKBUTAVWRARNY-UHFFFAOYSA-N -1 3 368.739 3.371 20 0 FGADHM O=S(=O)([N-]CCCc1cccc(F)c1)c1cnccc1C(F)(F)F ZINC000442751576 500619369 /nfs/dbraw/zinc/61/93/69/500619369.db2.gz QPRFAWAGPOGJTQ-UHFFFAOYSA-N -1 3 362.348 3.151 20 0 FGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000442750029 500619653 /nfs/dbraw/zinc/61/96/53/500619653.db2.gz NYAOHORFFHZYQL-YNEHKIRRSA-N -1 3 357.497 3.090 20 0 FGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@H]1C[C@@H]1C1CCCCC1 ZINC000442759155 500621345 /nfs/dbraw/zinc/62/13/45/500621345.db2.gz QGZXWXFCIHLHJY-OLZOCXBDSA-N -1 3 357.497 3.090 20 0 FGADHM C[C@@H]1CN(C(=O)c2ccc(NCc3cc([O-])cc(F)c3)cc2)C[C@H](C)O1 ZINC000437257018 500621394 /nfs/dbraw/zinc/62/13/94/500621394.db2.gz PTEXWQJLLWOMEN-OKILXGFUSA-N -1 3 358.413 3.393 20 0 FGADHM C[C@@H](CCOCc1ccccc1)[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000570644200 506209571 /nfs/dbraw/zinc/20/95/71/506209571.db2.gz BCPMZJAFZZWZCE-ZDUSSCGKSA-N -1 3 354.859 3.009 20 0 FGADHM Cc1ccc2c(c1)CC[C@H]2[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000442809465 500628817 /nfs/dbraw/zinc/62/88/17/500628817.db2.gz KOSPFAAUBHYHHD-CQSZACIVSA-N -1 3 356.369 3.375 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1F)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000437320676 500629997 /nfs/dbraw/zinc/62/99/97/500629997.db2.gz DPELBMZDQFDZQM-PSVSLLHZSA-N -1 3 353.390 3.196 20 0 FGADHM CSc1cc(O)ccc1[N-]C(=O)c1cn(-c2cc(C)cc(F)c2)nn1 ZINC000447594663 500631483 /nfs/dbraw/zinc/63/14/83/500631483.db2.gz HNXLJPHANZOIJJ-UHFFFAOYSA-N -1 3 358.398 3.395 20 0 FGADHM Cc1ccc2c(c1)[C@H]([N-]S(=O)(=O)Cc1c(F)cccc1Cl)CO2 ZINC000576669827 506208020 /nfs/dbraw/zinc/20/80/20/506208020.db2.gz DDHGYHSIKXNDRK-OAHLLOKOSA-N -1 3 355.818 3.341 20 0 FGADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)CCCC(C)(C)C)c2)[n-]1 ZINC000447680241 500644254 /nfs/dbraw/zinc/64/42/54/500644254.db2.gz NULUDPPRWQTVJD-UHFFFAOYSA-N -1 3 372.469 3.481 20 0 FGADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)CCCC(C)(C)C)c2)n[n-]1 ZINC000447680241 500644259 /nfs/dbraw/zinc/64/42/59/500644259.db2.gz NULUDPPRWQTVJD-UHFFFAOYSA-N -1 3 372.469 3.481 20 0 FGADHM Cc1nn(C)c(C)c1C[C@H](C)C(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000442935099 500649556 /nfs/dbraw/zinc/64/95/56/500649556.db2.gz QZYIZSUXGILHSD-VIFPVBQESA-N -1 3 371.359 3.458 20 0 FGADHM COc1cc(C(=O)N[C@H](C)c2nc(-c3ccc(F)c(C)c3)no2)ccc1[O-] ZINC000443058205 500670280 /nfs/dbraw/zinc/67/02/80/500670280.db2.gz JTABAIVWEYCOJN-LLVKDONJSA-N -1 3 371.368 3.389 20 0 FGADHM COc1cc(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)cc(Cl)c1[O-] ZINC000443117141 500682683 /nfs/dbraw/zinc/68/26/83/500682683.db2.gz FIACGYMGKZEUHP-DYVFJYSZSA-N -1 3 374.868 3.305 20 0 FGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]CC[C@H]1CCCC[C@H]1C ZINC000443126379 500684580 /nfs/dbraw/zinc/68/45/80/500684580.db2.gz HUWHEQFDDIKJLI-CHWSQXEVSA-N -1 3 357.447 3.107 20 0 FGADHM Cc1cc(=O)[n-]c([C@H](C)N2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)n1 ZINC000447887744 500685681 /nfs/dbraw/zinc/68/56/81/500685681.db2.gz GLDQCRHYHFRBBC-AAEUAGOBSA-N -1 3 368.359 3.119 20 0 FGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@@H](CO)c1ccccc1 ZINC000443153884 500688475 /nfs/dbraw/zinc/68/84/75/500688475.db2.gz FERQEHLPHMYJCR-HNNXBMFYSA-N -1 3 365.838 3.407 20 0 FGADHM Cc1cc(NC(=O)c2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)cc(C)c1Cl ZINC000443181018 500693498 /nfs/dbraw/zinc/69/34/98/500693498.db2.gz RNSBHZCTVOFOQL-IBGZPJMESA-N -1 3 371.824 3.264 20 0 FGADHM O=S(=O)([N-][C@H]1CCc2c1cccc2O)c1ccccc1C(F)(F)F ZINC000443221554 500697679 /nfs/dbraw/zinc/69/76/79/500697679.db2.gz YOLBWFUTNJHKLO-ZDUSSCGKSA-N -1 3 357.353 3.377 20 0 FGADHM CCC(CC)[C@@H](CNC(=O)N=c1[n-]nc(-c2ccsc2)s1)N(C)C ZINC000437840142 500704871 /nfs/dbraw/zinc/70/48/71/500704871.db2.gz IGNGZQYISDQBGB-CYBMUJFWSA-N -1 3 367.544 3.176 20 0 FGADHM CC[C@H](C)[C@@](C)(O)C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000443305781 500707084 /nfs/dbraw/zinc/70/70/84/500707084.db2.gz WPGSAERUCSCUTJ-ZANVPECISA-N -1 3 373.824 3.434 20 0 FGADHM CC(C)(C)C1CCC(O)(C[N-]S(=O)(=O)Cc2ccccc2F)CC1 ZINC000443307508 500707492 /nfs/dbraw/zinc/70/74/92/500707492.db2.gz KXQKGSJCWAYPGX-UHFFFAOYSA-N -1 3 357.491 3.213 20 0 FGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H](C)[C@@H](C)C1CCCCC1 ZINC000443345194 500713049 /nfs/dbraw/zinc/71/30/49/500713049.db2.gz SRNZZABJYUFZSJ-CHWSQXEVSA-N -1 3 371.474 3.496 20 0 FGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@@H](C)[C@@H](C)C1CCCCC1 ZINC000443346713 500713743 /nfs/dbraw/zinc/71/37/43/500713743.db2.gz WVCOCICFIVGFIA-NEPJUHHUSA-N -1 3 359.513 3.418 20 0 FGADHM O=C(Nc1ccc2ccoc2c1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000443359152 500714713 /nfs/dbraw/zinc/71/47/13/500714713.db2.gz IURKKWMFLJFMCW-UHFFFAOYSA-N -1 3 365.389 3.128 20 0 FGADHM Cc1cccc2c(=O)c(C(=O)N(C)Cc3cnc(C(C)C)nc3)c[n-]c12 ZINC000443366173 500715307 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CCc1cnc(C[N-]S(=O)(=O)c2cc(Cl)c(OC)cc2C)s1 ZINC000433870058 500758330 /nfs/dbraw/zinc/75/83/30/500758330.db2.gz OPIBPWABUHOVKF-UHFFFAOYSA-N -1 3 360.888 3.154 20 0 FGADHM CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2CCN(C)C)cc1 ZINC000438245178 500758318 /nfs/dbraw/zinc/75/83/18/500758318.db2.gz HNQHPYJZFIITQR-UHFFFAOYSA-N -1 3 374.506 3.430 20 0 FGADHM CC(C)(CNC(=O)c1ccc2n[n-]nc2c1)c1ccccc1Br ZINC000448451868 500761295 /nfs/dbraw/zinc/76/12/95/500761295.db2.gz HKYYTZMMYFYVAX-UHFFFAOYSA-N -1 3 373.254 3.428 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]CCc2c[nH]c3ncccc23)c(Cl)cc1F ZINC000443789692 500764188 /nfs/dbraw/zinc/76/41/88/500764188.db2.gz KGQSWZJDUXGFHI-UHFFFAOYSA-N -1 3 367.833 3.185 20 0 FGADHM O=C(N=c1cc(-c2ccccc2F)o[n-]1)c1ccn(-c2ccc(F)cc2)n1 ZINC000448493803 500765618 /nfs/dbraw/zinc/76/56/18/500765618.db2.gz ZUYNBUSEEPGIEE-UHFFFAOYSA-N -1 3 366.327 3.480 20 0 FGADHM CCc1nn(-c2ccccc2)c(CC)c1CNC(=O)c1c([O-])cccc1O ZINC000448508278 500765955 /nfs/dbraw/zinc/76/59/55/500765955.db2.gz QWZHKIPANWFFIF-UHFFFAOYSA-N -1 3 365.433 3.338 20 0 FGADHM CC[C@@H](C)[C@H]([N-]S(=O)(=O)c1ccc(C)c(N(C)C)c1)C(F)(F)F ZINC000443931155 500780088 /nfs/dbraw/zinc/78/00/88/500780088.db2.gz VKSADXDRAUMENA-YGRLFVJLSA-N -1 3 352.422 3.316 20 0 FGADHM Cc1nc(C)c(CCC(=O)N(C)Cc2cc(Cl)ccc2F)c(=O)[n-]1 ZINC000434000946 500780204 /nfs/dbraw/zinc/78/02/04/500780204.db2.gz AGGIXSILYVASLD-UHFFFAOYSA-N -1 3 351.809 3.183 20 0 FGADHM CC[C@@H](C)[C@@H]([N-]S(=O)(=O)c1cc(C(=O)OC)ccc1C)C(F)(F)F ZINC000443934955 500780371 /nfs/dbraw/zinc/78/03/71/500780371.db2.gz FWZKKHYWYFAEPF-NOZJJQNGSA-N -1 3 367.389 3.037 20 0 FGADHM CC(C)(CC(=O)N1CCc2c(=O)[n-]cnc2C1)Cc1ccc(Cl)cc1 ZINC000438432983 500785169 /nfs/dbraw/zinc/78/51/69/500785169.db2.gz AFDSGMUZOLOOBZ-UHFFFAOYSA-N -1 3 359.857 3.379 20 0 FGADHM COc1cc(C[N-]S(=O)(=O)c2ccccc2SC)c2ccccc2n1 ZINC000444069224 500799398 /nfs/dbraw/zinc/79/93/98/500799398.db2.gz IQXRRWJBMBNBNG-UHFFFAOYSA-N -1 3 374.487 3.444 20 0 FGADHM O=S(=O)([N-][C@@H]1[C@@H]2Cc3ccccc3[C@@H]21)c1ccc(C(F)(F)F)cc1F ZINC000444082688 500800331 /nfs/dbraw/zinc/80/03/31/500800331.db2.gz IRNZWTMNRZDODP-UHOFOFEASA-N -1 3 371.355 3.461 20 0 FGADHM C[C@H]1C[C@H](CC[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2F)CCO1 ZINC000444185106 500814360 /nfs/dbraw/zinc/81/43/60/500814360.db2.gz BKOPCLJSKNVTRE-WDEREUQCSA-N -1 3 369.380 3.328 20 0 FGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C(C)(C)C2CCC2)cc1OC ZINC000448750115 500823022 /nfs/dbraw/zinc/82/30/22/500823022.db2.gz LNMOYCPMCAPVEG-UHFFFAOYSA-N -1 3 354.472 3.222 20 0 FGADHM CC(C)(Oc1cccc(Cl)c1)C(=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000439025302 500848152 /nfs/dbraw/zinc/84/81/52/500848152.db2.gz HYYCBMCTPVJXNB-UHFFFAOYSA-N -1 3 357.801 3.316 20 0 FGADHM CC(C)(Oc1cccc(Cl)c1)C(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000439025302 500848153 /nfs/dbraw/zinc/84/81/53/500848153.db2.gz HYYCBMCTPVJXNB-UHFFFAOYSA-N -1 3 357.801 3.316 20 0 FGADHM CC(C)(Oc1cccc(Cl)c1)C(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000439025302 500848156 /nfs/dbraw/zinc/84/81/56/500848156.db2.gz HYYCBMCTPVJXNB-UHFFFAOYSA-N -1 3 357.801 3.316 20 0 FGADHM O=C(N=c1cc(-c2ccccc2)[n-][nH]1)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000439026607 500848945 /nfs/dbraw/zinc/84/89/45/500848945.db2.gz LZWYDMZIUWOWJK-HZPDHXFCSA-N -1 3 361.401 3.012 20 0 FGADHM CCOC(=O)CCN(C)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000439057809 500851578 /nfs/dbraw/zinc/85/15/78/500851578.db2.gz KWXAWHAATSLOHK-UHFFFAOYSA-N -1 3 355.434 3.203 20 0 FGADHM O=C(Nc1nnc(-c2c(F)cccc2F)[n-]1)C1=Cc2ccccc2OC1 ZINC000444476000 500851885 /nfs/dbraw/zinc/85/18/85/500851885.db2.gz KPPKVPFJNJOIGL-UHFFFAOYSA-N -1 3 354.316 3.164 20 0 FGADHM O=C(Nc1nc(-c2c(F)cccc2F)n[n-]1)C1=Cc2ccccc2OC1 ZINC000444476000 500851886 /nfs/dbraw/zinc/85/18/86/500851886.db2.gz KPPKVPFJNJOIGL-UHFFFAOYSA-N -1 3 354.316 3.164 20 0 FGADHM O=C(Nc1n[n-]c(-c2c(F)cccc2F)n1)C1=Cc2ccccc2OC1 ZINC000444476000 500851889 /nfs/dbraw/zinc/85/18/89/500851889.db2.gz KPPKVPFJNJOIGL-UHFFFAOYSA-N -1 3 354.316 3.164 20 0 FGADHM COC(=O)CN(C(=O)c1cc([O-])cc(C(F)(F)F)c1)C1CCCCC1 ZINC000598905195 506221952 /nfs/dbraw/zinc/22/19/52/506221952.db2.gz CKVTVEDBCFDAKD-UHFFFAOYSA-N -1 3 359.344 3.359 20 0 FGADHM CC(C)S(=O)(=O)Cc1cccc(NC(=O)Cc2ccc([O-])c(F)c2)c1 ZINC000448959933 500881326 /nfs/dbraw/zinc/88/13/26/500881326.db2.gz BBGDZGBRPWTURR-UHFFFAOYSA-N -1 3 365.426 3.036 20 0 FGADHM COC(=O)CCCOc1ccc(NC(=O)Cc2ccc([O-])c(F)c2)cc1 ZINC000448960992 500881781 /nfs/dbraw/zinc/88/17/81/500881781.db2.gz IHUOVGNEBZPMKJ-UHFFFAOYSA-N -1 3 361.369 3.045 20 0 FGADHM CN(C)CCN(C(=O)c1cc(Br)c(F)cc1[O-])C1CCCC1 ZINC000448967816 500883202 /nfs/dbraw/zinc/88/32/02/500883202.db2.gz DNBQVFJALSROFQ-UHFFFAOYSA-N -1 3 373.266 3.240 20 0 FGADHM CCOC(=O)c1nc(C2CCN(Cc3ccc(F)c(Cl)c3)CC2)n[n-]1 ZINC000444818577 500906915 /nfs/dbraw/zinc/90/69/15/500906915.db2.gz QGKMPIZHWLVRNE-UHFFFAOYSA-N -1 3 366.824 3.154 20 0 FGADHM O=C(N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1)[C@H]1CCC[C@@H](O)C1 ZINC000439499600 500907081 /nfs/dbraw/zinc/90/70/81/500907081.db2.gz OZPDIJJFPNIECX-TVQRCGJNSA-N -1 3 354.237 3.295 20 0 FGADHM O=S(=O)([N-]CC1CCCCC1)c1cc(F)ccc1Br ZINC000434958005 500915693 /nfs/dbraw/zinc/91/56/93/500915693.db2.gz JTHDMTKCIKLVIA-UHFFFAOYSA-N -1 3 350.253 3.447 20 0 FGADHM CCOC(=O)CC(C)(C)CC(=O)Nc1ccc(Br)cc1[O-] ZINC000582438900 506224364 /nfs/dbraw/zinc/22/43/64/506224364.db2.gz USGYZYXQIVLCNV-UHFFFAOYSA-N -1 3 358.232 3.463 20 0 FGADHM C[C@H](c1ccc2c(c1)CCC2)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000445247843 500960174 /nfs/dbraw/zinc/96/01/74/500960174.db2.gz IYHDTIQDTRBHED-MRXNPFEDSA-N -1 3 350.462 3.400 20 0 FGADHM CC[C@@H](CNC(=O)c1cc(=O)c2ccccc2[n-]1)Oc1cccc(F)c1 ZINC000439994408 500963947 /nfs/dbraw/zinc/96/39/47/500963947.db2.gz KFPHOZSAPOABAM-AWEZNQCLSA-N -1 3 354.381 3.255 20 0 FGADHM Cc1cn2cc(C(=O)NCc3ccc([O-])c(Br)c3)sc2n1 ZINC000440011957 500965462 /nfs/dbraw/zinc/96/54/62/500965462.db2.gz ZWBNJIMPUMUCNA-UHFFFAOYSA-N -1 3 366.240 3.102 20 0 FGADHM O=C(N[C@@H]1C[C@@H]2OCCC[C@H]12)c1cc(CCc2ccccc2)ccc1[O-] ZINC000440024006 500967436 /nfs/dbraw/zinc/96/74/36/500967436.db2.gz SCSYUZBSTNPQFT-QFUCXCTJSA-N -1 3 351.446 3.475 20 0 FGADHM CN(CC[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)C1CCCC1 ZINC000435432624 500975083 /nfs/dbraw/zinc/97/50/83/500975083.db2.gz NUFNXWUTXXMEFR-UHFFFAOYSA-N -1 3 369.289 3.285 20 0 FGADHM CCOc1cc(-c2noc(-c3ccc(C)c(S(C)(=O)=O)c3)n2)ccc1[O-] ZINC000445417723 500983140 /nfs/dbraw/zinc/98/31/40/500983140.db2.gz KRQBTIRZPPHCES-UHFFFAOYSA-N -1 3 374.418 3.220 20 0 FGADHM CCOc1cc(-c2noc(-c3ccc(CNC(C)=O)cc3)n2)ccc1[O-] ZINC000445427026 500983743 /nfs/dbraw/zinc/98/37/43/500983743.db2.gz NFBBYLVUASFEOZ-UHFFFAOYSA-N -1 3 353.378 3.144 20 0 FGADHM COc1ccc([O-])c(C(=O)NCc2ccc(C(=O)OC(C)(C)C)cc2)c1 ZINC000440301218 500995235 /nfs/dbraw/zinc/99/52/35/500995235.db2.gz CTADUHIMHVVARQ-UHFFFAOYSA-N -1 3 357.406 3.286 20 0 FGADHM COc1cc(-c2nc(-c3ccc(OC(F)F)cn3)no2)cc(OC)c1[O-] ZINC000445510723 500995629 /nfs/dbraw/zinc/99/56/29/500995629.db2.gz GWBQNLVPOAVKOH-UHFFFAOYSA-N -1 3 365.292 3.123 20 0 FGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@H]2C[C@H](OC)C2(C)C)cc1Cl ZINC000440380018 501001665 /nfs/dbraw/zinc/00/16/65/501001665.db2.gz JAOZFCLPQIQUNC-STQMWFEESA-N -1 3 368.282 3.094 20 0 FGADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCCOc3ccccc32)c(F)cc1F ZINC000440384397 501002522 /nfs/dbraw/zinc/00/25/22/501002522.db2.gz PHOCLTRVGKJXLO-OAHLLOKOSA-N -1 3 353.390 3.465 20 0 FGADHM CC[C@@H]1C[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000435641724 501005842 /nfs/dbraw/zinc/00/58/42/501005842.db2.gz MMBSVKGDVCMJHK-VHDGCEQUSA-N -1 3 373.902 3.365 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)c2cccc(C)c2C)c1-c1ccc2c(c1)OCCO2 ZINC000435715008 501015589 /nfs/dbraw/zinc/01/55/89/501015589.db2.gz UWRQGUVIMYIFTK-UHFFFAOYSA-N -1 3 363.417 3.447 20 0 FGADHM O=S(=O)([N-]c1cc2c(cc1Br)CCC2)c1cncc(F)c1 ZINC000435715278 501015703 /nfs/dbraw/zinc/01/57/03/501015703.db2.gz AGAVKNYHGOPCDK-UHFFFAOYSA-N -1 3 371.231 3.273 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)c2ccc(F)cc2F)c1-c1ccc2c(c1)OCCO2 ZINC000435718707 501016702 /nfs/dbraw/zinc/01/67/02/501016702.db2.gz YKGNLAMKHYKGKF-UHFFFAOYSA-N -1 3 371.343 3.109 20 0 FGADHM CO[C@@H](c1ccc(Br)cc1)[C@H](C)[N-]S(=O)(=O)c1ccco1 ZINC000445710232 501022679 /nfs/dbraw/zinc/02/26/79/501022679.db2.gz UBUQJNMGEDMINW-IINYFYTJSA-N -1 3 374.256 3.097 20 0 FGADHM CCn1ccnc1[C@H](C)NCc1cc(Br)c([O-])c(OC)c1 ZINC000449563365 501034768 /nfs/dbraw/zinc/03/47/68/501034768.db2.gz UTCRHNHTNZTCCQ-JTQLQIEISA-N -1 3 354.248 3.231 20 0 FGADHM Cc1ccccc1-c1cc(NC(=O)c2nnc[n-]2)n(Cc2ccccc2)n1 ZINC000435938994 501049008 /nfs/dbraw/zinc/04/90/08/501049008.db2.gz UDURCSQTRVQNLX-UHFFFAOYSA-N -1 3 358.405 3.277 20 0 FGADHM Cc1ccccc1-c1cc(NC(=O)c2nc[n-]n2)n(Cc2ccccc2)n1 ZINC000435938994 501049011 /nfs/dbraw/zinc/04/90/11/501049011.db2.gz UDURCSQTRVQNLX-UHFFFAOYSA-N -1 3 358.405 3.277 20 0 FGADHM [O-]c1cc2c(cc1-c1nc(Cc3nncn3-c3ccccc3)no1)CCCC2 ZINC000446011417 501062354 /nfs/dbraw/zinc/06/23/54/501062354.db2.gz OHRTUJIWXHWYBA-UHFFFAOYSA-N -1 3 373.416 3.493 20 0 FGADHM COC[C@H]([N-]S(=O)(=O)c1cc(OC)ccc1Cl)c1ccc(F)cc1 ZINC000436187935 501085858 /nfs/dbraw/zinc/08/58/58/501085858.db2.gz ZRUOITYHSREOEN-HNNXBMFYSA-N -1 3 373.833 3.154 20 0 FGADHM CCCc1ccc(-c2cc(=NC(=O)c3nnn(C(C)C)c3C)[nH][n-]2)cc1 ZINC000449812429 501094360 /nfs/dbraw/zinc/09/43/60/501094360.db2.gz VAOZGIBCDNPCRN-UHFFFAOYSA-N -1 3 352.442 3.184 20 0 FGADHM O=C(CCc1ccc2ccccc2c1[O-])NC[C@H](CO)Cc1ccccc1 ZINC000449937729 501131466 /nfs/dbraw/zinc/13/14/66/501131466.db2.gz ZLKXGOXWBPMPPF-GOSISDBHSA-N -1 3 363.457 3.445 20 0 FGADHM Cc1nnc([C@H]2Cc3ccccc3CN2C(=O)Cc2ccc([O-])c(F)c2)o1 ZINC000449951065 501135212 /nfs/dbraw/zinc/13/52/12/501135212.db2.gz SHCHNKZUQYDJAW-QGZVFWFLSA-N -1 3 367.380 3.091 20 0 FGADHM COc1ccc(Br)c(CNC(=O)c2cccc(C)c2[O-])c1 ZINC000436483133 501136113 /nfs/dbraw/zinc/13/61/13/501136113.db2.gz CTAXQAMEXMUFCC-UHFFFAOYSA-N -1 3 350.212 3.402 20 0 FGADHM O=C(c1cc2ccccc2cc1[O-])N1CCN[C@H](c2cccc(F)c2)C1 ZINC000436501424 501140953 /nfs/dbraw/zinc/14/09/53/501140953.db2.gz FQDALUSIWSQJGU-IBGZPJMESA-N -1 3 350.393 3.471 20 0 FGADHM CC(C)c1ccc(C(=O)NCCCS(=O)(=O)c2ccccc2)c([O-])c1 ZINC000436533002 501149336 /nfs/dbraw/zinc/14/93/36/501149336.db2.gz LDDYAVUOQBHDLC-UHFFFAOYSA-N -1 3 361.463 3.109 20 0 FGADHM COc1cccc(C(=O)N[C@@H](Cn2ccnc2)c2ccc(C)cc2C)c1[O-] ZINC000441501003 501149454 /nfs/dbraw/zinc/14/94/54/501149454.db2.gz RINFDIRVCQTLBJ-SFHVURJKSA-N -1 3 365.433 3.385 20 0 FGADHM C[C@H](CS(=O)(=O)c1ccc(F)cc1)c1nc(-c2ccc([O-])cc2)no1 ZINC000436533773 501149973 /nfs/dbraw/zinc/14/99/73/501149973.db2.gz NLJARWCKBNTCMQ-LLVKDONJSA-N -1 3 362.382 3.159 20 0 FGADHM C[C@]1(F)CCN(C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000436540323 501151607 /nfs/dbraw/zinc/15/16/07/501151607.db2.gz YGQGAZHROMTIKJ-NQIIRXRSSA-N -1 3 370.424 3.214 20 0 FGADHM CC[C@@H]1Oc2cc([C@H](C)NC(=O)Cc3ccc([O-])c(F)c3)ccc2NC1=O ZINC000450009898 501153842 /nfs/dbraw/zinc/15/38/42/501153842.db2.gz NVWHXRJBCSKNDZ-GTNSWQLSSA-N -1 3 372.396 3.061 20 0 FGADHM COc1ccccc1[C@H](NC(=O)c1ccc(C)c(C)c1[O-])c1noc(C)n1 ZINC000436550309 501154043 /nfs/dbraw/zinc/15/40/43/501154043.db2.gz YINYLAJIPVEZPL-KRWDZBQOSA-N -1 3 367.405 3.228 20 0 FGADHM CC(C)c1ccc(C(=O)N[C@H](CC(=O)N(C)C)c2ccccc2)c([O-])c1 ZINC000436551522 501155179 /nfs/dbraw/zinc/15/51/79/501155179.db2.gz OCLIHVQXYJTVKH-GOSISDBHSA-N -1 3 354.450 3.465 20 0 FGADHM COC(=O)CN(Cc1ccc(F)c(F)c1)C(=O)c1ccc(C)c(C)c1[O-] ZINC000436558007 501156507 /nfs/dbraw/zinc/15/65/07/501156507.db2.gz ZKSKHHCCFVTFKH-UHFFFAOYSA-N -1 3 363.360 3.103 20 0 FGADHM Cc1ccc(C(=O)N2CSC[C@H]2C(=O)Nc2cccc(F)c2)c([O-])c1C ZINC000436568719 501158481 /nfs/dbraw/zinc/15/84/81/501158481.db2.gz VWVRZWIOLRWDGR-INIZCTEOSA-N -1 3 374.437 3.302 20 0 FGADHM COC(=O)[C@H]1c2ccccc2CCN1C(=O)c1ccc(C(C)C)cc1[O-] ZINC000436576833 501161006 /nfs/dbraw/zinc/16/10/06/501161006.db2.gz RMVXWXDRYRLNOJ-LJQANCHMSA-N -1 3 353.418 3.428 20 0 FGADHM CN(C(=O)c1cc(CCc2ccccc2)ccc1[O-])[C@@H]1CCCN(C)C1 ZINC000436591749 501165276 /nfs/dbraw/zinc/16/52/76/501165276.db2.gz XYVOUAFCBYTZKP-LJQANCHMSA-N -1 3 352.478 3.344 20 0 FGADHM COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1ccc(C)cc1CN(C)C ZINC000446812715 501167070 /nfs/dbraw/zinc/16/70/70/501167070.db2.gz BKHRTBHFKUPQGK-UHFFFAOYSA-N -1 3 362.495 3.483 20 0 FGADHM Cc1ccc(C(=O)NC[C@H](CO)Cc2ccc(C(F)(F)F)cc2)c([O-])c1 ZINC000436600872 501167786 /nfs/dbraw/zinc/16/77/86/501167786.db2.gz GOKCCRUFUXOCRO-CQSZACIVSA-N -1 3 367.367 3.300 20 0 FGADHM Cc1ccc(C(=O)N(CCO)Cc2ccc(Br)s2)c([O-])c1 ZINC000436603600 501167796 /nfs/dbraw/zinc/16/77/96/501167796.db2.gz MDUZLSUEOHJXSD-UHFFFAOYSA-N -1 3 370.268 3.159 20 0 FGADHM CCCC[C@H]1CCC[C@H]1NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436605347 501168389 /nfs/dbraw/zinc/16/83/89/501168389.db2.gz CBHDPVNCHGZLMX-QFBILLFUSA-N -1 3 373.497 3.219 20 0 FGADHM CCOCCO[C@H]1CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC000436605757 501168555 /nfs/dbraw/zinc/16/85/55/501168555.db2.gz LNMIZWQAXGGXFJ-SFHVURJKSA-N -1 3 371.433 3.452 20 0 FGADHM O=C(N[C@@H]1CCO[C@@H]1C1CC1)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436609742 501169428 /nfs/dbraw/zinc/16/94/28/501169428.db2.gz WCXSXEMWNJOTKB-UYAOXDASSA-N -1 3 353.418 3.269 20 0 FGADHM CN(CCC1CCCCC1)C(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436621596 501171957 /nfs/dbraw/zinc/17/19/57/501171957.db2.gz BSEKMOQUNOQUQF-SFHVURJKSA-N -1 3 358.482 3.426 20 0 FGADHM Cc1ccc(C(=O)N2CCN(C/C=C\c3ccccc3)CC2)c([O-])c1C ZINC000436622738 501172001 /nfs/dbraw/zinc/17/20/01/501172001.db2.gz FDTJGGYBNIUIOA-TWGQIWQCSA-N -1 3 350.462 3.480 20 0 FGADHM Cc1ccc([C@H](CNC(=O)c2ccc(C(C)C)cc2[O-])N2CCOCC2)o1 ZINC000436626293 501172641 /nfs/dbraw/zinc/17/26/41/501172641.db2.gz RDYBGFUTKUQJRF-SFHVURJKSA-N -1 3 372.465 3.220 20 0 FGADHM CCCCCN(CC(N)=O)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436630634 501173787 /nfs/dbraw/zinc/17/37/87/501173787.db2.gz OUUITMGCUSWACR-UHFFFAOYSA-N -1 3 368.477 3.295 20 0 FGADHM CCNC(=O)CC(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000436632421 501173897 /nfs/dbraw/zinc/17/38/97/501173897.db2.gz ZDDASZCUWMMJJV-UHFFFAOYSA-N -1 3 355.419 3.134 20 0 FGADHM O=C(c1c([O-])cccc1O)N1CCc2cc(Br)cc(F)c2C1 ZINC000436633562 501174862 /nfs/dbraw/zinc/17/48/62/501174862.db2.gz IEKGFFODELMEKO-UHFFFAOYSA-N -1 3 366.186 3.198 20 0 FGADHM CC(=O)c1ccc(C(=O)N[C@H]2CCCN(c3cccc(F)c3)C2)cc1[O-] ZINC000436647290 501177951 /nfs/dbraw/zinc/17/79/51/501177951.db2.gz JFOBPOAWQPEQIR-INIZCTEOSA-N -1 3 356.397 3.133 20 0 FGADHM COCCO[C@H]1CCCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000436646038 501178176 /nfs/dbraw/zinc/17/81/76/501178176.db2.gz DVJHNDOCAOTKNE-IBGZPJMESA-N -1 3 369.461 3.251 20 0 FGADHM CC(=O)c1ccc(C(=O)N[C@@H]2CCCN(c3cccc(F)c3)C2)cc1[O-] ZINC000436647292 501178382 /nfs/dbraw/zinc/17/83/82/501178382.db2.gz JFOBPOAWQPEQIR-MRXNPFEDSA-N -1 3 356.397 3.133 20 0 FGADHM CC[C@H](C)NC(=O)c1cccc(CNC(=O)c2ccc(C)c(C)c2[O-])c1 ZINC000436650311 501178749 /nfs/dbraw/zinc/17/87/49/501178749.db2.gz YTIMEYBBKZEDGA-AWEZNQCLSA-N -1 3 354.450 3.467 20 0 FGADHM CC[C@H](NC(=O)c1ccc(C)cc1[O-])[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000436651243 501179991 /nfs/dbraw/zinc/17/99/91/501179991.db2.gz UQYHNEHWYFEHFR-AZUAARDMSA-N -1 3 364.449 3.399 20 0 FGADHM COC(=O)c1ccsc1[N-]C(=O)C(=O)N1CCC[C@H](C(C)(C)C)CC1 ZINC000441883259 501180127 /nfs/dbraw/zinc/18/01/27/501180127.db2.gz LUCYJHIICUTDJY-LBPRGKRZSA-N -1 3 366.483 3.148 20 0 FGADHM CC(=O)NCCN(Cc1ccc(C)s1)C(=O)c1ccc(C)c(C)c1[O-] ZINC000436659932 501181460 /nfs/dbraw/zinc/18/14/60/501181460.db2.gz QPEFMEZMBUNLTI-UHFFFAOYSA-N -1 3 360.479 3.157 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)NCc2csc3ccccc23)c([O-])c1 ZINC000436663896 501182127 /nfs/dbraw/zinc/18/21/27/501182127.db2.gz JZGWFSLDIWLQMW-UHFFFAOYSA-N -1 3 368.458 3.352 20 0 FGADHM Cc1cccc([C@@H]2CCCN2C(=O)CCNC(=O)c2ccc(C)cc2[O-])c1 ZINC000436668609 501183003 /nfs/dbraw/zinc/18/30/03/501183003.db2.gz YLHUCBDKWZYUFJ-IBGZPJMESA-N -1 3 366.461 3.493 20 0 FGADHM Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)c2c([O-])cccc2O)C1 ZINC000436667148 501183314 /nfs/dbraw/zinc/18/33/14/501183314.db2.gz WPMKPTZPRUJUNY-ZDUSSCGKSA-N -1 3 360.841 3.316 20 0 FGADHM CO[C@H](CN1CCN(C(=O)c2ccccc2[O-])CC1)c1ccc(Cl)cc1 ZINC000436670236 501184322 /nfs/dbraw/zinc/18/43/22/501184322.db2.gz CYWODCIKYGHILG-LJQANCHMSA-N -1 3 374.868 3.191 20 0 FGADHM Cc1ccc(SCC(=O)NCCCNC(=O)c2cccc([O-])c2)c(C)c1 ZINC000588218789 506239200 /nfs/dbraw/zinc/23/92/00/506239200.db2.gz GIERGKLJOXYUPZ-UHFFFAOYSA-N -1 3 372.490 3.037 20 0 FGADHM COCCO[C@@H]1CCCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC000436675113 501185374 /nfs/dbraw/zinc/18/53/74/501185374.db2.gz YEYRIKRSRQQYHJ-GOSISDBHSA-N -1 3 371.433 3.452 20 0 FGADHM CCOC(=O)c1cc(C(=O)[N-]c2cc(-c3nc(CC)no3)ccc2C)on1 ZINC000450121074 501186361 /nfs/dbraw/zinc/18/63/61/501186361.db2.gz UOLPTMUZGPMYNW-UHFFFAOYSA-N -1 3 370.365 3.024 20 0 FGADHM CCOc1ccc(CNC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)cc1OC ZINC000436683574 501188140 /nfs/dbraw/zinc/18/81/40/501188140.db2.gz UZUDHXKOJYAILY-UHFFFAOYSA-N -1 3 371.433 3.443 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N[C@@H]2CCC[C@H]2c2ccccc2)c([O-])c1 ZINC000436702681 501191329 /nfs/dbraw/zinc/19/13/29/501191329.db2.gz DSEXORCRPYZTPH-PKOBYXMFSA-N -1 3 366.461 3.273 20 0 FGADHM CC(C)(C)[C@@H](O)C[C@@H](CO)NC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436702836 501191497 /nfs/dbraw/zinc/19/14/97/501191497.db2.gz GHTYTYAMUKYTCI-LIRRHRJNSA-N -1 3 373.449 3.072 20 0 FGADHM COc1cccc(C(=O)NC[C@@H](C)Cc2ccc(OC)c(OC)c2)c1[O-] ZINC000436714928 501194862 /nfs/dbraw/zinc/19/48/62/501194862.db2.gz JVEKRRTVJUPJEU-ZDUSSCGKSA-N -1 3 359.422 3.027 20 0 FGADHM C[C@@H](NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F)c1cccc(F)c1 ZINC000442098906 501196771 /nfs/dbraw/zinc/19/67/71/501196771.db2.gz RBBUIPZNSMBVQD-LLVKDONJSA-N -1 3 374.840 3.247 20 0 FGADHM CC(C)Cc1ccc([C@@H](CNC(=O)C(=O)c2ccc([O-])cc2)N(C)C)cc1 ZINC000436735730 501200792 /nfs/dbraw/zinc/20/07/92/501200792.db2.gz FBUXVIIJUZPHIK-HXUWFJFHSA-N -1 3 368.477 3.193 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N2C[C@@H](c3ccccc3)C[C@@H]2C)c([O-])c1 ZINC000436737324 501201004 /nfs/dbraw/zinc/20/10/04/501201004.db2.gz IOJPJQHVCOSKJP-WMZOPIPTSA-N -1 3 366.461 3.225 20 0 FGADHM C[C@H](NC(=O)c1cc2c(cc1[O-])CCCC2)c1ccc(S(C)(=O)=O)cc1 ZINC000436754743 501204754 /nfs/dbraw/zinc/20/47/54/501204754.db2.gz JUAYMVGLOIYXKF-ZDUSSCGKSA-N -1 3 373.474 3.166 20 0 FGADHM NC(=O)CSc1ccccc1NC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436754315 501205279 /nfs/dbraw/zinc/20/52/79/501205279.db2.gz IDUIQUOOHPFFQU-UHFFFAOYSA-N -1 3 356.447 3.101 20 0 FGADHM CCN1CCN(c2ccc(NC(=O)c3ccc(C)cc3[O-])c(C)c2)CC1 ZINC000436758922 501205619 /nfs/dbraw/zinc/20/56/19/501205619.db2.gz ZOZACKMWBMSSBE-UHFFFAOYSA-N -1 3 353.466 3.403 20 0 FGADHM Cc1ccc(C(=O)Nc2cc(C(N)=O)ccc2N2CCCCC2)c([O-])c1C ZINC000436756784 501206010 /nfs/dbraw/zinc/20/60/10/501206010.db2.gz QCJAJLKYMKFEGL-UHFFFAOYSA-N -1 3 367.449 3.351 20 0 FGADHM C[C@@H]1Oc2ccc(NC(=O)c3cc4c(cc3[O-])CCCC4)cc2NC1=O ZINC000436757092 501206177 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O=C1[N-][C@@](c2ccccc2)(C(F)(F)F)C(=O)N1C[C@H]1CCC(F)(F)C1 ZINC000450818516 501213339 /nfs/dbraw/zinc/21/33/39/501213339.db2.gz IBUMGOSWGCKDFC-ZUZCIYMTSA-N -1 3 362.298 3.431 20 0 FGADHM Cc1cccc(CN(C)C(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])c1C ZINC000436803039 501213989 /nfs/dbraw/zinc/21/39/89/501213989.db2.gz MCLLHTJPQCNNTE-IBGZPJMESA-N -1 3 366.461 3.272 20 0 FGADHM CCc1ccc(C(=O)N[C@H](C)c2ccc(OCCOC)c(OC)c2)c([O-])c1 ZINC000436810270 501214669 /nfs/dbraw/zinc/21/46/69/501214669.db2.gz XAOKSCRFNWPPDE-CQSZACIVSA-N -1 3 373.449 3.479 20 0 FGADHM COCCCOCCN(C)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436815085 501216124 /nfs/dbraw/zinc/21/61/24/501216124.db2.gz UMZSEFDICHNKNU-UHFFFAOYSA-N -1 3 357.450 3.108 20 0 FGADHM COC(=O)COc1ccc([C@@H](C)NC(=O)c2ccc(C)c(C)c2[O-])cc1 ZINC000436821731 501216530 /nfs/dbraw/zinc/21/65/30/501216530.db2.gz XXZIUHXNISLQSE-CQSZACIVSA-N -1 3 357.406 3.052 20 0 FGADHM CC(C)[C@@H](NC(=O)c1cc(Oc2ccccc2)ccc1[O-])c1nncn1C ZINC000436844743 501220047 /nfs/dbraw/zinc/22/00/47/501220047.db2.gz AIXIZORFOZCCEW-GOSISDBHSA-N -1 3 366.421 3.440 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@H](C)c2ccccc2)c1-c1ccc2c(c1)OCCO2 ZINC000436845436 501220190 /nfs/dbraw/zinc/22/01/90/501220190.db2.gz SGRCWWBFOPOCAV-CYBMUJFWSA-N -1 3 363.417 3.320 20 0 FGADHM COc1ccc(C(=O)N2C[C@H](C)N(Cc3ccccc3)C[C@@H]2C)c([O-])c1 ZINC000436864113 501223467 /nfs/dbraw/zinc/22/34/67/501223467.db2.gz YFGXJVXMRQGPKS-HOTGVXAUSA-N -1 3 354.450 3.136 20 0 FGADHM COC(=O)[C@@H]1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])[C@H]1C ZINC000436866440 501223923 /nfs/dbraw/zinc/22/39/23/501223923.db2.gz XQFPHEMLBFUZQX-WMLDXEAASA-N -1 3 353.418 3.007 20 0 FGADHM CC(=O)c1ccc(C(=O)Nc2nc(CN3CCCCC3)cs2)cc1[O-] ZINC000436869641 501224434 /nfs/dbraw/zinc/22/44/34/501224434.db2.gz NJBOAOCTLRCAHS-UHFFFAOYSA-N -1 3 359.451 3.290 20 0 FGADHM COc1cc(-c2noc(-c3cccc(C(=O)NC4CC4)c3)n2)ccc1[O-] ZINC000436877071 501226222 /nfs/dbraw/zinc/22/62/22/501226222.db2.gz MUMBXXMPDNPJPR-UHFFFAOYSA-N -1 3 351.362 3.010 20 0 FGADHM CCC[C@H](NC(=O)[C@@H](C)N1CCC[C@@H](c2n[n-]c(=O)o2)C1)c1ccccc1 ZINC000450898293 501226480 /nfs/dbraw/zinc/22/64/80/501226480.db2.gz BVOHFOZBZYSPJG-OIISXLGYSA-N -1 3 372.469 3.001 20 0 FGADHM COc1cccc(C(=O)N[C@H](C)c2nc(-c3ccc(C)c(F)c3)no2)c1[O-] ZINC000436880687 501226826 /nfs/dbraw/zinc/22/68/26/501226826.db2.gz KWNLDHFGUMEFHJ-LLVKDONJSA-N -1 3 371.368 3.389 20 0 FGADHM CC(C)[C@H]1CN(C(=O)c2cc(OCc3ccccc3)ccc2[O-])CCO1 ZINC000436887012 501226954 /nfs/dbraw/zinc/22/69/54/501226954.db2.gz IJSXRATXTPTJQK-HXUWFJFHSA-N -1 3 355.434 3.468 20 0 FGADHM Cc1cccc2cc(C(=O)NCCNC(=O)c3ccc([O-])cc3)sc21 ZINC000436888911 501227665 /nfs/dbraw/zinc/22/76/65/501227665.db2.gz VBBQPIAHLVGSEB-UHFFFAOYSA-N -1 3 354.431 3.075 20 0 FGADHM COC(=O)C1(c2ccccc2)CCN(C(=O)c2ccc([O-])c(C)c2)CC1 ZINC000436897207 501229059 /nfs/dbraw/zinc/22/90/59/501229059.db2.gz QUXVKAMGWJVZJE-UHFFFAOYSA-N -1 3 353.418 3.048 20 0 FGADHM CC(C)(C)OC(=O)c1ccc(CN2CCC(c3n[n-]c(=O)o3)CC2)cc1 ZINC000450917011 501229291 /nfs/dbraw/zinc/22/92/91/501229291.db2.gz CIKOHWLGLIFNSM-UHFFFAOYSA-N -1 3 359.426 3.110 20 0 FGADHM C/C=C/C[C@@H](NC(=O)CCc1ccc2ccccc2c1[O-])C(=O)OCC ZINC000450919656 501229864 /nfs/dbraw/zinc/22/98/64/501229864.db2.gz ZDHGBNVDMDOCKF-YWPBOTNQSA-N -1 3 355.434 3.492 20 0 FGADHM COc1ccc(NC(=O)c2ccc([O-])c(C)c2)cc1N1CCCCC1=O ZINC000436903210 501230221 /nfs/dbraw/zinc/23/02/21/501230221.db2.gz LXPOKYPCDKXCNK-UHFFFAOYSA-N -1 3 354.406 3.478 20 0 FGADHM C[C@@H]1C[C@H]1CNC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436908784 501230716 /nfs/dbraw/zinc/23/07/16/501230716.db2.gz KAELNTYYRIZFBB-DKSSEZFCSA-N -1 3 352.434 3.026 20 0 FGADHM COC(=O)[C@H]1C[C@@H](C)CCN1C(=O)CCc1ccc2ccccc2c1[O-] ZINC000451005472 501238376 /nfs/dbraw/zinc/23/83/76/501238376.db2.gz XLIBOVVXXQDWMI-KBXCAEBGSA-N -1 3 355.434 3.278 20 0 FGADHM CC(C)([N-]S(=O)(=O)c1ccc(OC(F)F)c(F)c1)C(F)(F)F ZINC000451034918 501240911 /nfs/dbraw/zinc/24/09/11/501240911.db2.gz YTIXWKAVHYGIBU-UHFFFAOYSA-N -1 3 351.268 3.046 20 0 FGADHM COC(=O)c1ncccc1S(=O)(=O)[N-][C@@H](c1ccccc1)C1CCCC1 ZINC000451083596 501244024 /nfs/dbraw/zinc/24/40/24/501244024.db2.gz PBLGEDNYCJBFEM-KRWDZBQOSA-N -1 3 374.462 3.078 20 0 FGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]C12CCC(CC1)CC2 ZINC000451091823 501245003 /nfs/dbraw/zinc/24/50/03/501245003.db2.gz XDPGISSNBGPREJ-UHFFFAOYSA-N -1 3 357.859 3.128 20 0 FGADHM Cc1csc(S(=O)(=O)[N-]CCC(=O)Nc2cccc(Cl)c2C)c1 ZINC000451146626 501248119 /nfs/dbraw/zinc/24/81/19/501248119.db2.gz NYVZAJRUPAZOEG-UHFFFAOYSA-N -1 3 372.899 3.325 20 0 FGADHM Cc1csc(S(=O)(=O)[N-]Cc2ccnc(N3CCCCCC3)c2)c1 ZINC000451177066 501250247 /nfs/dbraw/zinc/25/02/47/501250247.db2.gz TXBVEHZSEPACOB-UHFFFAOYSA-N -1 3 365.524 3.310 20 0 FGADHM CC(C)C[C@H](CCO)C[N-]S(=O)(=O)c1ccc2ccccc2c1F ZINC000451275641 501256817 /nfs/dbraw/zinc/25/68/17/501256817.db2.gz RRQBUUOFVWLMQB-AWEZNQCLSA-N -1 3 353.459 3.302 20 0 FGADHM Cc1csc(S(=O)(=O)[N-]C2(c3ccc(F)cc3F)CCOCC2)c1 ZINC000451358374 501274476 /nfs/dbraw/zinc/27/44/76/501274476.db2.gz UTZYIUAYKQBQHQ-UHFFFAOYSA-N -1 3 373.446 3.319 20 0 FGADHM CC(C)c1cccc(CC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)c1 ZINC000457643650 501275149 /nfs/dbraw/zinc/27/51/49/501275149.db2.gz GDZKHDFTPYNQBK-UHFFFAOYSA-N -1 3 366.461 3.043 20 0 FGADHM CC(C)[C@@H](O)C1(C[N-]S(=O)(=O)c2ccc3ccccc3c2F)CC1 ZINC000451366372 501276463 /nfs/dbraw/zinc/27/64/63/501276463.db2.gz IRZLNAJAIGDMIB-QGZVFWFLSA-N -1 3 351.443 3.054 20 0 FGADHM C[C@H](C[N-]S(=O)(=O)c1cccc2c(Cl)ccnc21)C(F)(F)F ZINC000451404856 501284268 /nfs/dbraw/zinc/28/42/68/501284268.db2.gz HFVAXDDDXPKLEF-MRVPVSSYSA-N -1 3 352.765 3.365 20 0 FGADHM C[C@@H](CC(F)(F)F)C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000457760687 501303416 /nfs/dbraw/zinc/30/34/16/501303416.db2.gz XFQJYLYEBKAUKW-ZETCQYMHSA-N -1 3 350.138 3.046 20 0 FGADHM O=S(=O)([N-]C[C@H]1CSc2ccccc21)c1cccnc1C(F)(F)F ZINC000451608743 501335762 /nfs/dbraw/zinc/33/57/62/501335762.db2.gz BRJSUSRIBVGCFW-JTQLQIEISA-N -1 3 374.409 3.268 20 0 FGADHM O=S(=O)([N-]CCCC1CCOCC1)c1cc(Cl)ccc1Cl ZINC000451611540 501336539 /nfs/dbraw/zinc/33/65/39/501336539.db2.gz XQQYAACMNMDQOO-UHFFFAOYSA-N -1 3 352.283 3.479 20 0 FGADHM Cc1cc(C)c(CNC(=O)NCc2ccc([O-])c(Br)c2)cn1 ZINC000455574223 501337793 /nfs/dbraw/zinc/33/77/93/501337793.db2.gz QONLRSRJWBNXTH-UHFFFAOYSA-N -1 3 364.243 3.166 20 0 FGADHM CC[C@@H](COCC(F)(F)F)[N-]S(=O)(=O)c1cc(C)c(Cl)s1 ZINC000451647681 501343738 /nfs/dbraw/zinc/34/37/38/501343738.db2.gz NETBEIQLBSMILN-QMMMGPOBSA-N -1 3 365.826 3.346 20 0 FGADHM Cc1nc(C[N-]S(=O)(=O)CCC(C)(C)C)sc1Br ZINC000451658636 501345983 /nfs/dbraw/zinc/34/59/83/501345983.db2.gz BKWAFEBZLKASKG-UHFFFAOYSA-N -1 3 355.323 3.070 20 0 FGADHM CC(C)(CNC(=O)Cc1ccc([O-])c(F)c1)Oc1cc(F)cc(F)c1 ZINC000451663950 501346882 /nfs/dbraw/zinc/34/68/82/501346882.db2.gz LBUROJJWKBFRCM-UHFFFAOYSA-N -1 3 353.340 3.326 20 0 FGADHM CC(C)c1nc(C[N-]S(=O)(=O)c2sc3ccccc3c2Cl)n[nH]1 ZINC000451677366 501348878 /nfs/dbraw/zinc/34/88/78/501348878.db2.gz BYZAWXIWWQGVIT-UHFFFAOYSA-N -1 3 370.887 3.275 20 0 FGADHM CC1(C)OCC[C@@H]1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000451694726 501352070 /nfs/dbraw/zinc/35/20/70/501352070.db2.gz LSDQFGOQNKUXCH-NSHDSACASA-N -1 3 357.781 3.205 20 0 FGADHM CC(C)[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)CCO1 ZINC000451816729 501378721 /nfs/dbraw/zinc/37/87/21/501378721.db2.gz JSAWEGJQLHMOGW-QWRGUYRKSA-N -1 3 371.446 3.496 20 0 FGADHM CC(C)OC(=O)[C@@H]([N-]S(=O)(=O)C1CCC(C(F)(F)F)CC1)C(C)C ZINC000451828025 501380895 /nfs/dbraw/zinc/38/08/95/501380895.db2.gz AQLDKCOUJLXZLF-BPCQOVAHSA-N -1 3 373.437 3.003 20 0 FGADHM CCn1ccnc1[C@H](C)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000451935830 501404379 /nfs/dbraw/zinc/40/43/79/501404379.db2.gz SSNZVGQXCILVND-ZETCQYMHSA-N -1 3 354.284 3.311 20 0 FGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@H](C)[C@@H](OC)C2CC2)cc1Cl ZINC000451996415 501415006 /nfs/dbraw/zinc/41/50/06/501415006.db2.gz SAOFHYCWXFXYSE-XLKFXECMSA-N -1 3 368.282 3.094 20 0 FGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]CCC[C@H]1CCOC1 ZINC000452023696 501419987 /nfs/dbraw/zinc/41/99/87/501419987.db2.gz WYJKNXJCZGALCE-LBPRGKRZSA-N -1 3 357.859 3.490 20 0 FGADHM CCC[C@H](NC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O)C1CCC1 ZINC000458326881 501420714 /nfs/dbraw/zinc/42/07/14/501420714.db2.gz JPJYOCYIGBUFDQ-SFHVURJKSA-N -1 3 368.481 3.158 20 0 FGADHM Cc1noc(C2CC2)c1[N-]C(=O)c1ccc(I)cn1 ZINC000456004545 501436353 /nfs/dbraw/zinc/43/63/53/501436353.db2.gz KFJLFBBPCRULRZ-UHFFFAOYSA-N -1 3 369.162 3.112 20 0 FGADHM C[C@H](c1ccc(C(=O)N2CCc3c(nc[n-]c3=O)C2)cc1)C(F)(F)F ZINC000456011699 501437904 /nfs/dbraw/zinc/43/79/04/501437904.db2.gz SBQCFWVSALAMSO-SNVBAGLBSA-N -1 3 351.328 3.047 20 0 FGADHM C[C@@H]1CN(c2ccc(Cl)c(F)c2)CCN1C(=O)c1c([O-])cccc1O ZINC000452129995 501442466 /nfs/dbraw/zinc/44/24/66/501442466.db2.gz XHRQTMRYCINOGT-LLVKDONJSA-N -1 3 364.804 3.241 20 0 FGADHM O=C(c1c[n-]c2c(Cl)cc(Br)cc2c1=O)N1CC[C@H](F)C1 ZINC000452353885 501483563 /nfs/dbraw/zinc/48/35/63/501483563.db2.gz KIOOGKICMOIWEP-QMMMGPOBSA-N -1 3 373.609 3.128 20 0 FGADHM O=C(c1cnc2c(Cl)cc(Br)cc2c1[O-])N1CC[C@H](F)C1 ZINC000452353885 501483565 /nfs/dbraw/zinc/48/35/65/501483565.db2.gz KIOOGKICMOIWEP-QMMMGPOBSA-N -1 3 373.609 3.128 20 0 FGADHM O=c1[n-]nc(SCCc2ccc3c(c2)CCO3)n1CCc1ccccc1 ZINC000607758493 506256712 /nfs/dbraw/zinc/25/67/12/506256712.db2.gz QCCAQJDSPREZMQ-UHFFFAOYSA-N -1 3 367.474 3.496 20 0 FGADHM CC(C)c1ncsc1NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000456433782 501524515 /nfs/dbraw/zinc/52/45/15/501524515.db2.gz GQSVYHJJZMXACT-ZDUSSCGKSA-N -1 3 359.451 3.215 20 0 FGADHM Cc1c(Br)ccc([O-])c1NC(=O)c1cc(C2CC2)n(C)n1 ZINC000452746566 501555425 /nfs/dbraw/zinc/55/54/25/501555425.db2.gz GKSATRHLRUWDMS-UHFFFAOYSA-N -1 3 350.216 3.326 20 0 FGADHM CC(C)[C@H]1C[C@@H](CNC(=O)Cc2ccc(Br)cc2[O-])CCO1 ZINC000452862175 501576093 /nfs/dbraw/zinc/57/60/93/501576093.db2.gz YKBJOCOPLWJPCQ-BLLLJJGKSA-N -1 3 370.287 3.265 20 0 FGADHM CCOC(=O)C[C@@H](NC(=O)c1ccc(C(C)C)cc1[O-])c1ccncc1 ZINC000456918219 501619123 /nfs/dbraw/zinc/61/91/23/501619123.db2.gz MYZFPJNAKHPQDV-QGZVFWFLSA-N -1 3 356.422 3.335 20 0 FGADHM COC(=O)[C@H]1CN(C(=O)Cc2ccc([O-])cc2Cl)C[C@H]1c1ccccc1 ZINC000456923391 501620028 /nfs/dbraw/zinc/62/00/28/501620028.db2.gz AOZAKVFIYBXPTC-IRXDYDNUSA-N -1 3 373.836 3.003 20 0 FGADHM O=C(N[C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1)c1cccc([O-])c1 ZINC000456930919 501621382 /nfs/dbraw/zinc/62/13/82/501621382.db2.gz XQOZZAHUQDLRAG-DLBZAZTESA-N -1 3 364.367 3.152 20 0 FGADHM COc1ccc([C@H]2CCCN2Cc2cc(=O)[n-]c(C3CC3)n2)c(OC)c1 ZINC000459288080 501625585 /nfs/dbraw/zinc/62/55/85/501625585.db2.gz FUBJVVYFRHGXEX-QGZVFWFLSA-N -1 3 355.438 3.414 20 0 FGADHM CCOc1cc(CN2CCCC[C@H]2CN2CCOCC2)cc(Cl)c1[O-] ZINC000459336449 501633976 /nfs/dbraw/zinc/63/39/76/501633976.db2.gz JRLPGOGJKYOHAD-INIZCTEOSA-N -1 3 368.905 3.131 20 0 FGADHM CCOc1cc(CN(C)CC(=O)NCc2cccs2)cc(Cl)c1[O-] ZINC000459337551 501634003 /nfs/dbraw/zinc/63/40/03/501634003.db2.gz BBJZLXBSGPSPMK-UHFFFAOYSA-N -1 3 368.886 3.254 20 0 FGADHM CCOC(=O)C(C)(C)N(C)Cc1cc(Br)c([O-])c(OCC)c1 ZINC000459341045 501634889 /nfs/dbraw/zinc/63/48/89/501634889.db2.gz GDGCIMPUKDSQPB-UHFFFAOYSA-N -1 3 374.275 3.327 20 0 FGADHM [O-]c1cccc(CN2CCO[C@@H](c3cccc(O)c3)C2)c1Br ZINC000459344252 501635670 /nfs/dbraw/zinc/63/56/70/501635670.db2.gz IAPFUTAMJDTWLV-MRXNPFEDSA-N -1 3 364.239 3.434 20 0 FGADHM Cn1ccnc1C[C@H]1CCCN(Cc2cc(=O)[n-]c(-c3ccccc3)n2)C1 ZINC000459385440 501643900 /nfs/dbraw/zinc/64/39/00/501643900.db2.gz HRINTMUCSYDJFA-MRXNPFEDSA-N -1 3 363.465 3.037 20 0 FGADHM CC(C)c1ccc(-n2cc([O-])c(C(=O)N(C)[C@H]3CCN(C(C)C)C3)n2)cc1 ZINC000457086866 501648210 /nfs/dbraw/zinc/64/82/10/501648210.db2.gz JAYCZILCZNGGSC-SFHVURJKSA-N -1 3 370.497 3.256 20 0 FGADHM CCOc1cc(CN(C)[C@@H](C)c2cnn(C)c2)cc(Br)c1[O-] ZINC000459465363 501658358 /nfs/dbraw/zinc/65/83/58/501658358.db2.gz ODUPDDXLNFJNAI-NSHDSACASA-N -1 3 368.275 3.480 20 0 FGADHM CC(C)(CNC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])C1=CCCC1 ZINC000457180427 501662670 /nfs/dbraw/zinc/66/26/70/501662670.db2.gz KZGYMYLIWBAMEL-QGZVFWFLSA-N -1 3 356.466 3.250 20 0 FGADHM C[C@@H]1C[C@@H]1c1ccc(C[N-]S(=O)(=O)c2ccc3c(c2)C(=O)CCC3)o1 ZINC000582516123 506266524 /nfs/dbraw/zinc/26/65/24/506266524.db2.gz XZDHXILURBOJSS-WBMJQRKESA-N -1 3 359.447 3.401 20 0 FGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@@H](C)CC(C)(C)C ZINC000457205707 501664917 /nfs/dbraw/zinc/66/49/17/501664917.db2.gz CBWKGFOGTDAEGT-ZDUSSCGKSA-N -1 3 356.470 3.014 20 0 FGADHM CCOc1cc(CN[C@H](CO)c2ccsc2)cc(Br)c1[O-] ZINC000459522354 501669072 /nfs/dbraw/zinc/66/90/72/501669072.db2.gz HTYDDLVBQIHDCB-CYBMUJFWSA-N -1 3 372.284 3.438 20 0 FGADHM C[C@@H]1C[C@]2(CCO1)CN(Cc1cccc([O-])c1Br)C[C@H](C)O2 ZINC000459524078 501669595 /nfs/dbraw/zinc/66/95/95/501669595.db2.gz YVNYVBWPHPJMOQ-IIYDPXPESA-N -1 3 370.287 3.313 20 0 FGADHM CCOC1(CNC(=O)NCc2ccc([O-])c(Br)c2)CCCC1 ZINC000455024619 501673888 /nfs/dbraw/zinc/67/38/88/501673888.db2.gz ODSOYPOHZGHMJZ-UHFFFAOYSA-N -1 3 371.275 3.303 20 0 FGADHM CC(C)OCc1nc([C@H](C)NCc2cccc([O-])c2Br)no1 ZINC000459555611 501675975 /nfs/dbraw/zinc/67/59/75/501675975.db2.gz HWRSUOFGXWQWDM-JTQLQIEISA-N -1 3 370.247 3.314 20 0 FGADHM CCOc1cc(CN2CC[C@H]([C@H](O)C(F)(F)F)C2)cc(Cl)c1[O-] ZINC000459575470 501679789 /nfs/dbraw/zinc/67/97/89/501679789.db2.gz UCPHHVFOZSADII-HZMBPMFUSA-N -1 3 353.768 3.189 20 0 FGADHM CCOc1cc(CN[C@H](C)c2ccn(C)n2)cc(Br)c1[O-] ZINC000459750182 501708448 /nfs/dbraw/zinc/70/84/48/501708448.db2.gz KYMCQJSYTDYLSB-SNVBAGLBSA-N -1 3 354.248 3.138 20 0 FGADHM O=C(Nc1nnc(-c2cc3ccccc3o2)[n-]1)[C@H]1COc2ccccc2C1 ZINC000485127423 501729784 /nfs/dbraw/zinc/72/97/84/501729784.db2.gz AOIFFNVDIZVMCP-CQSZACIVSA-N -1 3 360.373 3.408 20 0 FGADHM O=C(Nc1nc(-c2cc3ccccc3o2)n[n-]1)[C@H]1COc2ccccc2C1 ZINC000485127423 501729791 /nfs/dbraw/zinc/72/97/91/501729791.db2.gz AOIFFNVDIZVMCP-CQSZACIVSA-N -1 3 360.373 3.408 20 0 FGADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)[C@H]1COc2ccccc2C1 ZINC000485127423 501729795 /nfs/dbraw/zinc/72/97/95/501729795.db2.gz AOIFFNVDIZVMCP-CQSZACIVSA-N -1 3 360.373 3.408 20 0 FGADHM COC[C@H]([N-]S(=O)(=O)c1ccc(OCCC(C)C)cc1)c1ccco1 ZINC000474170547 501730085 /nfs/dbraw/zinc/73/00/85/501730085.db2.gz DTYGYJRYBVZIET-KRWDZBQOSA-N -1 3 367.467 3.371 20 0 FGADHM CN1CCc2ccc(C(=O)Nc3nnc(-c4cc5ccccc5o4)[n-]3)cc21 ZINC000485136732 501733855 /nfs/dbraw/zinc/73/38/55/501733855.db2.gz UBNGBGHJNSJZNW-UHFFFAOYSA-N -1 3 359.389 3.463 20 0 FGADHM CN1CCc2ccc(C(=O)Nc3nc(-c4cc5ccccc5o4)n[n-]3)cc21 ZINC000485136732 501733859 /nfs/dbraw/zinc/73/38/59/501733859.db2.gz UBNGBGHJNSJZNW-UHFFFAOYSA-N -1 3 359.389 3.463 20 0 FGADHM CN1CCc2ccc(C(=O)Nc3n[n-]c(-c4cc5ccccc5o4)n3)cc21 ZINC000485136732 501733864 /nfs/dbraw/zinc/73/38/64/501733864.db2.gz UBNGBGHJNSJZNW-UHFFFAOYSA-N -1 3 359.389 3.463 20 0 FGADHM COC[C@H]([N-]S(=O)(=O)Cc1cc(Cl)ccc1OC)c1ccc(C)o1 ZINC000474187760 501736394 /nfs/dbraw/zinc/73/63/94/501736394.db2.gz FBJPQVYBHPTLBG-AWEZNQCLSA-N -1 3 373.858 3.057 20 0 FGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)C1(Cc2cccc(F)c2)CCC1 ZINC000481302862 501738773 /nfs/dbraw/zinc/73/87/73/501738773.db2.gz AOQICCQDORUWCH-UHFFFAOYSA-N -1 3 351.385 3.357 20 0 FGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)C1(Cc2cccc(F)c2)CCC1 ZINC000481302862 501738778 /nfs/dbraw/zinc/73/87/78/501738778.db2.gz AOQICCQDORUWCH-UHFFFAOYSA-N -1 3 351.385 3.357 20 0 FGADHM CC(C)(C)c1nnc(NC(=O)Cc2ccc(Br)cc2[O-])s1 ZINC000477618955 501739087 /nfs/dbraw/zinc/73/90/87/501739087.db2.gz BDRCYOFVEDTMEY-UHFFFAOYSA-N -1 3 370.272 3.485 20 0 FGADHM O=C(N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1c[n-]nn1 ZINC000474267915 501766665 /nfs/dbraw/zinc/76/66/65/501766665.db2.gz VGNSKZLCSDHRCO-VIFPVBQESA-N -1 3 352.238 3.247 20 0 FGADHM O=C(N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1cnn[n-]1 ZINC000474267915 501766671 /nfs/dbraw/zinc/76/66/71/501766671.db2.gz VGNSKZLCSDHRCO-VIFPVBQESA-N -1 3 352.238 3.247 20 0 FGADHM O=C(N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1cn[n-]n1 ZINC000474267915 501766676 /nfs/dbraw/zinc/76/66/76/501766676.db2.gz VGNSKZLCSDHRCO-VIFPVBQESA-N -1 3 352.238 3.247 20 0 FGADHM O=C(COC/C=C\c1ccccc1)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1 ZINC000477773509 501783460 /nfs/dbraw/zinc/78/34/60/501783460.db2.gz HXYATDLVUUHORP-DAXSKMNVSA-N -1 3 369.371 3.445 20 0 FGADHM CCCOc1ccc(C(C)(C)[N-]S(=O)(=O)c2c(C)noc2C)cc1 ZINC000481486143 501788251 /nfs/dbraw/zinc/78/82/51/501788251.db2.gz YBBNGWKUUAWBKV-UHFFFAOYSA-N -1 3 352.456 3.294 20 0 FGADHM CCC(CC)CS(=O)(=O)[N-][C@@H](CO)c1c(Cl)cccc1Cl ZINC000481489067 501789273 /nfs/dbraw/zinc/78/92/73/501789273.db2.gz CQGCQBXPDKQWSW-ZDUSSCGKSA-N -1 3 354.299 3.382 20 0 FGADHM CC(C)(C)CC[C@@H](CO)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000481489431 501790012 /nfs/dbraw/zinc/79/00/12/501790012.db2.gz HGHLOZREUHTCLX-JTQLQIEISA-N -1 3 354.299 3.459 20 0 FGADHM Cn1nc(C(F)F)c2cc(C(=O)N=c3ccn(-c4ccccc4)[n-]3)sc21 ZINC000470763342 501795398 /nfs/dbraw/zinc/79/53/98/501795398.db2.gz BOHKJDDORVUORJ-UHFFFAOYSA-N -1 3 373.388 3.432 20 0 FGADHM CC(C)(C)OC(=O)CCC(C)(C)[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000470769364 501796033 /nfs/dbraw/zinc/79/60/33/501796033.db2.gz MOFVQSVJYVVVTH-UHFFFAOYSA-N -1 3 363.426 3.144 20 0 FGADHM O=S(=O)([N-]CCc1nc2ccccc2s1)c1cc(F)c(F)c(F)c1 ZINC000470773748 501798719 /nfs/dbraw/zinc/79/87/19/501798719.db2.gz PTIPXFRKORVBJW-UHFFFAOYSA-N -1 3 372.393 3.235 20 0 FGADHM Cc1cc(=NC(=O)NC[C@H](c2ccccc2)N2CCC(C)CC2)[n-]nc1C ZINC000467467754 501802549 /nfs/dbraw/zinc/80/25/49/501802549.db2.gz IMESSQMNZNRODB-LJQANCHMSA-N -1 3 367.497 3.110 20 0 FGADHM COCc1nc(SCC(=O)N(Cc2ccccc2)c2ccccc2)n[n-]1 ZINC000474386609 501816313 /nfs/dbraw/zinc/81/63/13/501816313.db2.gz DGPLHEPPEDDXFY-UHFFFAOYSA-N -1 3 368.462 3.277 20 0 FGADHM Cc1cc(C(=O)N2CCCCC[C@@H]2CC(=O)c2ccccc2)[n-]c(=O)n1 ZINC000467531924 501817263 /nfs/dbraw/zinc/81/72/63/501817263.db2.gz HZWZIVFRIIEFHL-MRXNPFEDSA-N -1 3 353.422 3.148 20 0 FGADHM COCc1nc(SCC(=O)N[C@H](c2cccs2)c2ccccc2)n[n-]1 ZINC000474388963 501817732 /nfs/dbraw/zinc/81/77/32/501817732.db2.gz GVAWBSRRCXXBJA-INIZCTEOSA-N -1 3 374.491 3.011 20 0 FGADHM COc1ccc(OCCS(=O)(=O)[N-]c2cccc(OC(F)F)c2)cc1 ZINC000460425181 501821324 /nfs/dbraw/zinc/82/13/24/501821324.db2.gz HGAQSUUZRCAHAJ-UHFFFAOYSA-N -1 3 373.377 3.117 20 0 FGADHM CCc1ncc(S(=O)(=O)[N-]C[C@@H]2CCCc3cc(OC)ccc32)s1 ZINC000463858476 501840826 /nfs/dbraw/zinc/84/08/26/501840826.db2.gz TXDBKDJSDLBLPV-ZDUSSCGKSA-N -1 3 366.508 3.113 20 0 FGADHM COc1ccc2c(c1)CCC[C@H]2C[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000463861369 501841992 /nfs/dbraw/zinc/84/19/92/501841992.db2.gz WRSQBOPSWLUMLJ-ZDUSSCGKSA-N -1 3 366.870 3.142 20 0 FGADHM Cc1cc(C)n([C@H](C)CC(=O)N=c2cc(-c3cc(F)cc(F)c3)[n-][nH]2)n1 ZINC000467715116 501851790 /nfs/dbraw/zinc/85/17/90/501851790.db2.gz UATIUXSSJMIBSZ-GFCCVEGCSA-N -1 3 359.380 3.180 20 0 FGADHM CCc1noc(CC)c1CC(=O)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1 ZINC000467720522 501853835 /nfs/dbraw/zinc/85/38/35/501853835.db2.gz OKADZVUHCODEPK-UHFFFAOYSA-N -1 3 360.364 3.071 20 0 FGADHM O=C(N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1)c1occc1Br ZINC000467721169 501854428 /nfs/dbraw/zinc/85/44/28/501854428.db2.gz SMXDNRVPKSQDAY-UHFFFAOYSA-N -1 3 368.137 3.385 20 0 FGADHM O=C(N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1)C(=O)c1ccc2c(c1)CCC2 ZINC000467719173 501854503 /nfs/dbraw/zinc/85/45/03/501854503.db2.gz YBWPRKFOKQIECB-UHFFFAOYSA-N -1 3 367.355 3.087 20 0 FGADHM CN(Cc1ccco1)C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000602736305 506278316 /nfs/dbraw/zinc/27/83/16/506278316.db2.gz WGRIPAKJBJWXOE-UHFFFAOYSA-N -1 3 361.195 3.156 20 0 FGADHM O=S(=O)([N-]Cc1nccn1-c1ccccc1)c1ccc(F)cc1Cl ZINC000460589569 501870040 /nfs/dbraw/zinc/87/00/40/501870040.db2.gz HWRCVGTXDLOMJB-UHFFFAOYSA-N -1 3 365.817 3.143 20 0 FGADHM CC(C)N1CCC[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000474573577 501880473 /nfs/dbraw/zinc/88/04/73/501880473.db2.gz IPSSCRPICJRBRM-GFCCVEGCSA-N -1 3 351.299 3.145 20 0 FGADHM Cc1ccc([C@@H]2OCCC[C@@H]2[N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000467797379 501876700 /nfs/dbraw/zinc/87/67/00/501876700.db2.gz HRQGCJBUVSJMAH-ROUUACIJSA-N -1 3 367.417 3.472 20 0 FGADHM CCc1cc(C(=O)N2CCN(C(=O)c3ccc(Cl)cc3)CC2)ccc1[O-] ZINC000485621019 501879611 /nfs/dbraw/zinc/87/96/11/501879611.db2.gz AZIXVMLQAFYNAJ-UHFFFAOYSA-N -1 3 372.852 3.206 20 0 FGADHM CO[C@@](C)(C(=O)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1)c1ccccc1 ZINC000467809222 501880935 /nfs/dbraw/zinc/88/09/35/501880935.db2.gz WJTPIWFHXBIJKJ-LJQANCHMSA-N -1 3 357.360 3.277 20 0 FGADHM COc1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)c2ccccn2)c(F)c1 ZINC000478139424 501891363 /nfs/dbraw/zinc/89/13/63/501891363.db2.gz DENWHCRSYQDECO-LJQANCHMSA-N -1 3 372.421 3.297 20 0 FGADHM O=C(CNC(=O)c1cccc([O-])c1)Nc1nc(-c2cccc(F)c2)cs1 ZINC000474635848 501903169 /nfs/dbraw/zinc/90/31/69/501903169.db2.gz PWPYMAKYSUIHEH-UHFFFAOYSA-N -1 3 371.393 3.023 20 0 FGADHM CC(C)(C)[S@](=O)Cc1cccc(NC(=O)NCc2ncccc2[O-])c1 ZINC000467914067 501904726 /nfs/dbraw/zinc/90/47/26/501904726.db2.gz MOZJJDHEULETQE-RUZDIDTESA-N -1 3 361.467 3.156 20 0 FGADHM COc1cc(F)c([N-]S(=O)(=O)c2cc(OC)c(OC)cc2C)cc1F ZINC000467933606 501909355 /nfs/dbraw/zinc/90/93/55/501909355.db2.gz NWCIPITXAUMWIV-UHFFFAOYSA-N -1 3 373.377 3.100 20 0 FGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]CC(=O)c2ccccc2Cl)c1 ZINC000464184990 501915962 /nfs/dbraw/zinc/91/59/62/501915962.db2.gz GPHHYBCQQTZYDY-UHFFFAOYSA-N -1 3 374.245 3.163 20 0 FGADHM O=C(CCn1ccc2cc(Cl)ccc21)NCc1nnc(C(F)(F)F)[n-]1 ZINC000481911219 501916606 /nfs/dbraw/zinc/91/66/06/501916606.db2.gz DVEBHSLOUSPHQC-UHFFFAOYSA-N -1 3 371.750 3.138 20 0 FGADHM O=C(CCn1ccc2cc(Cl)ccc21)NCc1n[n-]c(C(F)(F)F)n1 ZINC000481911219 501916610 /nfs/dbraw/zinc/91/66/10/501916610.db2.gz DVEBHSLOUSPHQC-UHFFFAOYSA-N -1 3 371.750 3.138 20 0 FGADHM O=C(CCn1ccc2cc(Cl)ccc21)NCc1nc(C(F)(F)F)n[n-]1 ZINC000481911219 501916612 /nfs/dbraw/zinc/91/66/12/501916612.db2.gz DVEBHSLOUSPHQC-UHFFFAOYSA-N -1 3 371.750 3.138 20 0 FGADHM CCCc1c(C(=O)NCc2nnc(C(F)(F)F)[n-]2)cnn1C1CCCC1 ZINC000481914134 501916940 /nfs/dbraw/zinc/91/69/40/501916940.db2.gz RJFLNBOYTNQRBN-UHFFFAOYSA-N -1 3 370.379 3.018 20 0 FGADHM CCCc1c(C(=O)NCc2n[n-]c(C(F)(F)F)n2)cnn1C1CCCC1 ZINC000481914134 501916945 /nfs/dbraw/zinc/91/69/45/501916945.db2.gz RJFLNBOYTNQRBN-UHFFFAOYSA-N -1 3 370.379 3.018 20 0 FGADHM CCCc1c(C(=O)NCc2nc(C(F)(F)F)n[n-]2)cnn1C1CCCC1 ZINC000481914134 501916947 /nfs/dbraw/zinc/91/69/47/501916947.db2.gz RJFLNBOYTNQRBN-UHFFFAOYSA-N -1 3 370.379 3.018 20 0 FGADHM CC1(C)[C@H](OCc2ccccc2)C[C@@H]1NC(=O)c1ccc2n[n-]nc2c1 ZINC000474689329 501921960 /nfs/dbraw/zinc/92/19/60/501921960.db2.gz WWFYKLLHMVGHHV-ZWKOTPCHSA-N -1 3 350.422 3.072 20 0 FGADHM O=S(=O)([N-]c1ccc(Cl)cc1OCC(F)(F)F)N1CCCC1 ZINC000460827893 501930578 /nfs/dbraw/zinc/93/05/78/501930578.db2.gz HBGUUGCNWOPXKU-UHFFFAOYSA-N -1 3 358.769 3.034 20 0 FGADHM CC[C@@H](OC1CCCC1)C(=O)Nc1nnc(-c2c(F)cccc2F)[n-]1 ZINC000478318843 501941345 /nfs/dbraw/zinc/94/13/45/501941345.db2.gz YLPOPIOFSUJJRM-CYBMUJFWSA-N -1 3 350.369 3.426 20 0 FGADHM CC[C@@H](OC1CCCC1)C(=O)Nc1nc(-c2c(F)cccc2F)n[n-]1 ZINC000478318843 501941350 /nfs/dbraw/zinc/94/13/50/501941350.db2.gz 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Cc1ccc(-c2nc(C(=O)[N-]c3nc4cc(Cl)ccn4n3)cs2)n1C ZINC000464645674 502053053 /nfs/dbraw/zinc/05/30/53/502053053.db2.gz VWDQTVQJOAFJPT-UHFFFAOYSA-N -1 3 372.841 3.405 20 0 FGADHM CCCN(CCC)C(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000471555303 502063317 /nfs/dbraw/zinc/06/33/17/502063317.db2.gz KYKNZLYPXHQNFK-UHFFFAOYSA-N -1 3 366.405 3.339 20 0 FGADHM CN1CCCC(C)(C)[C@H]1CNC(=O)c1ccc(Br)c([O-])c1 ZINC000468471683 502069695 /nfs/dbraw/zinc/06/96/95/502069695.db2.gz XEWLQZZRAFRYMS-CQSZACIVSA-N -1 3 355.276 3.005 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCN(c3ccccc3C(F)(F)F)C2)o1 ZINC000478779914 502083148 /nfs/dbraw/zinc/08/31/48/502083148.db2.gz DVCBNEFQELFMIA-LBPRGKRZSA-N -1 3 374.384 3.164 20 0 FGADHM Cc1ccccc1C1(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)CCCC1 ZINC000486240115 502095477 /nfs/dbraw/zinc/09/54/77/502095477.db2.gz GRHFPVJHPFKXEX-UHFFFAOYSA-N -1 3 361.449 3.303 20 0 FGADHM Cc1ccccc1C1(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC000486240115 502095484 /nfs/dbraw/zinc/09/54/84/502095484.db2.gz 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502130211 /nfs/dbraw/zinc/13/02/11/502130211.db2.gz UJYMCBPVXAHSNG-UHFFFAOYSA-N -1 3 368.480 3.008 20 0 FGADHM CN(C)[C@H](CNC(=O)CCCc1ccc([O-])c(F)c1)c1ccc(F)cc1 ZINC000468633621 502131963 /nfs/dbraw/zinc/13/19/63/502131963.db2.gz YQAFDIIIRIJCGU-GOSISDBHSA-N -1 3 362.420 3.412 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)NCCc2c(C)oc3ccccc32)c1 ZINC000468640297 502133787 /nfs/dbraw/zinc/13/37/87/502133787.db2.gz WOZAURMIWZFALH-UHFFFAOYSA-N -1 3 352.390 3.378 20 0 FGADHM CCOc1ncccc1C[N-]S(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000471778147 502134502 /nfs/dbraw/zinc/13/45/02/502134502.db2.gz CNTOSSIGPLZKRI-UHFFFAOYSA-N -1 3 358.822 3.060 20 0 FGADHM COC(=O)c1cc2cc(NC(=O)c3c[n-]nc3-c3ccncc3)ccc2o1 ZINC000471803613 502140850 /nfs/dbraw/zinc/14/08/50/502140850.db2.gz INVJNIZPZSPDAL-UHFFFAOYSA-N -1 3 362.345 3.257 20 0 FGADHM COC(=O)c1cc2cc(NC(=O)c3cn[n-]c3-c3ccncc3)ccc2o1 ZINC000471803613 502140852 /nfs/dbraw/zinc/14/08/52/502140852.db2.gz INVJNIZPZSPDAL-UHFFFAOYSA-N -1 3 362.345 3.257 20 0 FGADHM 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/nfs/dbraw/zinc/62/53/77/503625377.db2.gz KNTKTKHXHUPUGI-JTQLQIEISA-N -1 3 360.888 3.024 20 0 FGADHM CCOC(=O)C[C@H](NC(=O)Cc1ccc([O-])cc1Cl)c1ccccc1 ZINC000509087785 503638381 /nfs/dbraw/zinc/63/83/81/503638381.db2.gz UHVHVDOLBIFTNQ-KRWDZBQOSA-N -1 3 361.825 3.399 20 0 FGADHM CCN=c1[n-]c(C(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)cs1 ZINC000494947390 503640860 /nfs/dbraw/zinc/64/08/60/503640860.db2.gz JXSQOFKUXVWNGH-UHFFFAOYSA-N -1 3 372.475 3.308 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1ccnc(OC2CCCCC2)c1 ZINC000540054764 503654900 /nfs/dbraw/zinc/65/49/00/503654900.db2.gz ARJFOBDXCVRIEN-UHFFFAOYSA-N -1 3 364.409 3.226 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1ccnc(OC2CCCCC2)c1 ZINC000540054764 503654910 /nfs/dbraw/zinc/65/49/10/503654910.db2.gz ARJFOBDXCVRIEN-UHFFFAOYSA-N -1 3 364.409 3.226 20 0 FGADHM CCc1ccc(-c2nc(CS(=O)(=O)c3nc(C4CC4)n[n-]3)cs2)cc1 ZINC000517077163 503661186 /nfs/dbraw/zinc/66/11/86/503661186.db2.gz FFZZTTLZOXOOKW-UHFFFAOYSA-N -1 3 374.491 3.342 20 0 FGADHM CCc1ccc(-c2nc(CS(=O)(=O)c3nnc(C4CC4)[n-]3)cs2)cc1 ZINC000517077163 503661189 /nfs/dbraw/zinc/66/11/89/503661189.db2.gz FFZZTTLZOXOOKW-UHFFFAOYSA-N -1 3 374.491 3.342 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]CC(C)(C)c2ccc3c(c2)OCO3)c(F)c1 ZINC000517087086 503664684 /nfs/dbraw/zinc/66/46/84/503664684.db2.gz HWDHSEZPWAQMFL-UHFFFAOYSA-N -1 3 365.426 3.119 20 0 FGADHM COC(=O)c1cc(S(=O)(=O)[N-][C@@H](C)c2ccc(SC)cc2)c(C)o1 ZINC000546197423 503666691 /nfs/dbraw/zinc/66/66/91/503666691.db2.gz GMQQQXRVCHUGGL-JTQLQIEISA-N -1 3 369.464 3.136 20 0 FGADHM O=C(NCC1(c2ccccc2)CCCCC1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000517099646 503668509 /nfs/dbraw/zinc/66/85/09/503668509.db2.gz AAKJXEZWVDDYAV-UHFFFAOYSA-N -1 3 362.429 3.202 20 0 FGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)[C@@H](C)Oc1cccc(C(C)=O)c1 ZINC000540104893 503674553 /nfs/dbraw/zinc/67/45/53/503674553.db2.gz UXWYYABYTJUVGD-GFCCVEGCSA-N -1 3 374.393 3.022 20 0 FGADHM Cc1cccc(C=Cc2nc(-c3ccc([C@@]4(C)NC(=O)[N-]C4=O)cc3)no2)c1 ZINC000546236651 503682268 /nfs/dbraw/zinc/68/22/68/503682268.db2.gz JAJPOPVQHAVMSS-VWMRQFFHSA-N -1 3 374.400 3.270 20 0 FGADHM CCc1ccc([O-])c(C(=O)N(CC)[C@H]2CCN(c3ccccc3)C2=O)c1 ZINC000536690529 503683456 /nfs/dbraw/zinc/68/34/56/503683456.db2.gz WUOUJEPGTSPAKD-SFHVURJKSA-N -1 3 352.434 3.222 20 0 FGADHM C[C@@H](CN1CCCCC1)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000527139627 503695010 /nfs/dbraw/zinc/69/50/10/503695010.db2.gz LWOFTSNVMGVHEY-VIFPVBQESA-N -1 3 357.328 3.208 20 0 FGADHM O=c1c2ccccc2sn1Cc1nc(=O)c2c3c(sc2[n-]1)CCC3 ZINC000533009547 503697076 /nfs/dbraw/zinc/69/70/76/503697076.db2.gz BLXXNKJMXZTMSO-UHFFFAOYSA-N -1 3 355.444 3.310 20 0 FGADHM CCc1ccc(CCc2nc(-c3ccc([N-]S(C)(=O)=O)cc3)no2)cc1 ZINC000546334787 503715867 /nfs/dbraw/zinc/71/58/67/503715867.db2.gz OEABMEKDYQQACF-UHFFFAOYSA-N -1 3 371.462 3.456 20 0 FGADHM C[C@@H](NC(=O)c1cccc2nn[n-]c21)c1ccc(Br)s1 ZINC000527200709 503717438 /nfs/dbraw/zinc/71/74/38/503717438.db2.gz JWFDWOHDRSXYOU-SSDOTTSWSA-N -1 3 351.229 3.273 20 0 FGADHM C[C@@H](NC(=O)c1cccc2[n-]nnc21)c1ccc(Br)s1 ZINC000527200709 503717442 /nfs/dbraw/zinc/71/74/42/503717442.db2.gz JWFDWOHDRSXYOU-SSDOTTSWSA-N -1 3 351.229 3.273 20 0 FGADHM C[C@@H](NC(=O)c1cccc2n[n-]nc21)c1ccc(Br)s1 ZINC000527200709 503717449 /nfs/dbraw/zinc/71/74/49/503717449.db2.gz JWFDWOHDRSXYOU-SSDOTTSWSA-N -1 3 351.229 3.273 20 0 FGADHM Cc1ncc(CNC(=O)C[C@H](C)c2ccccc2C(F)(F)F)c(=O)[n-]1 ZINC000543314225 503720307 /nfs/dbraw/zinc/72/03/07/503720307.db2.gz ANCXFADAXLSQOD-JTQLQIEISA-N -1 3 353.344 3.319 20 0 FGADHM C[C@H](Oc1ccccc1C(F)(F)F)C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000527209031 503720477 /nfs/dbraw/zinc/72/04/77/503720477.db2.gz UDXPSMUYXZNFOY-IINYFYTJSA-N -1 3 369.343 3.108 20 0 FGADHM Cc1ccc(Br)c(C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)c1 ZINC000527208066 503720502 /nfs/dbraw/zinc/72/05/02/503720502.db2.gz JMTHGROUHLGPEK-ZDUSSCGKSA-N -1 3 350.216 3.006 20 0 FGADHM O=C(COc1c(Cl)cccc1Cl)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000527209927 503720921 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COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)[N-][C@@H]1CCC[C@@H](C)C1 ZINC000517425078 503742433 /nfs/dbraw/zinc/74/24/33/503742433.db2.gz HOMBIIRVVVEAHT-ZYHUDNBSSA-N -1 3 374.890 3.164 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]CC2(c3ccc(Cl)cc3)CCOCC2)o1 ZINC000536897803 503753780 /nfs/dbraw/zinc/75/37/80/503753780.db2.gz VKICJHDJTNCMQQ-UHFFFAOYSA-N -1 3 369.870 3.268 20 0 FGADHM C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CN1CCC[C@@H](CC(=O)[O-])C1 ZINC000533202709 503759902 /nfs/dbraw/zinc/75/99/02/503759902.db2.gz KRBGCSXDMAKNQA-KGLIPLIRSA-N -1 3 352.862 3.046 20 0 FGADHM O=S(=O)([N-][C@H]1C[C@H]1c1ccccc1)c1cccc(Br)c1F ZINC000543414772 503760706 /nfs/dbraw/zinc/76/07/06/503760706.db2.gz NIFWHXGLDFAIIH-AAEUAGOBSA-N -1 3 370.243 3.423 20 0 FGADHM CCOc1cccc([C@H]2C[C@H]2[N-]S(=O)(=O)c2ccc(F)cc2F)c1 ZINC000540483389 503785687 /nfs/dbraw/zinc/78/56/87/503785687.db2.gz IAWCNDVJZQZMQS-GDBMZVCRSA-N -1 3 353.390 3.198 20 0 FGADHM C[C@@H]1CN(C)CCN1Cc1nc(=O)c2cc(-c3ccccc3)sc2[n-]1 ZINC000533304985 503799865 /nfs/dbraw/zinc/79/98/65/503799865.db2.gz YFQUKILQBYGHEX-CYBMUJFWSA-N -1 3 354.479 3.200 20 0 FGADHM CCc1ncc(S(=O)(=O)[N-][C@@H](C[C@@H]2CCOC2)c2ccccc2)s1 ZINC000546598150 503802503 /nfs/dbraw/zinc/80/25/03/503802503.db2.gz UNGKBDALVKWKFL-ZFWWWQNUSA-N -1 3 366.508 3.152 20 0 FGADHM COc1cc2c(cc1F)[n-]cc(C(=O)N[C@H](C)Cc1ccc(C)s1)c2=O ZINC000540530138 503806014 /nfs/dbraw/zinc/80/60/14/503806014.db2.gz DGJFPCFYIRRJEC-SNVBAGLBSA-N -1 3 374.437 3.407 20 0 FGADHM Cc1cccc([C@H](NC(=O)c2ccc([N-]S(C)(=O)=O)cc2)C(C)C)c1 ZINC000530036744 503808654 /nfs/dbraw/zinc/80/86/54/503808654.db2.gz UTGZMPPDDXXTBO-GOSISDBHSA-N -1 3 360.479 3.494 20 0 FGADHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000527499066 503813525 /nfs/dbraw/zinc/81/35/25/503813525.db2.gz HLDJGORRMMDFGW-JMSVASOKSA-N -1 3 365.355 3.444 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Br)c(Cl)c1)c1ccon1 ZINC000537172072 503827054 /nfs/dbraw/zinc/82/70/54/503827054.db2.gz VFPBRIVXROKSTN-SSDOTTSWSA-N -1 3 365.636 3.130 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CCCC(=O)N1CCC[C@@H](C(=O)N=c2[nH][n-]c(C)c2-c2ccc(C)cc2)C1 ZINC000530271669 503903273 /nfs/dbraw/zinc/90/32/73/503903273.db2.gz GXOVXAKVHIFLBN-QGZVFWFLSA-N -1 3 368.481 3.093 20 0 FGADHM COc1ccc(C(=O)N[C@@H]2C[C@H]2c2cccc(Br)c2)c([O-])c1 ZINC000518084009 503905165 /nfs/dbraw/zinc/90/51/65/503905165.db2.gz ARNBNEFKASNGRN-LSDHHAIUSA-N -1 3 362.223 3.449 20 0 FGADHM C[C@H](Cc1nc2ccccc2s1)[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000533634552 503908110 /nfs/dbraw/zinc/90/81/10/503908110.db2.gz BWUVNIFIPLYDNH-SNVBAGLBSA-N -1 3 367.883 3.254 20 0 FGADHM Cc1cc(C(=O)N[C@H](CCO)c2ccccc2Br)ccc1[O-] ZINC000543836870 503909490 /nfs/dbraw/zinc/90/94/90/503909490.db2.gz ABNFTOOZVKWKJF-OAHLLOKOSA-N -1 3 364.239 3.317 20 0 FGADHM Cc1cc(Cl)ccc1O[C@H](C)C(=O)N=c1cc(-c2cccnc2)[n-][nH]1 ZINC000533675534 503919137 /nfs/dbraw/zinc/91/91/37/503919137.db2.gz ZOUWQFZTRSHHBJ-GFCCVEGCSA-N -1 3 356.813 3.261 20 0 FGADHM C[C@@H](CC(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1)c1ccco1 ZINC000527730696 503919319 /nfs/dbraw/zinc/91/93/19/503919319.db2.gz SLJHBQSYWNXZSM-AWEZNQCLSA-N -1 3 356.422 3.356 20 0 FGADHM Cc1nc2c(c(NC3CCN(C(=O)c4ccccc4[O-])CC3)n1)CCCC2 ZINC000543864534 503920729 /nfs/dbraw/zinc/92/07/29/503920729.db2.gz HPSUJAKAUPRUEU-UHFFFAOYSA-N -1 3 366.465 3.086 20 0 FGADHM Cc1ccnc(OC2CCN(C(=O)Cc3ccc([O-])cc3Cl)CC2)c1 ZINC000543928462 503942776 /nfs/dbraw/zinc/94/27/76/503942776.db2.gz SVSTZYHNPYNWNY-UHFFFAOYSA-N -1 3 360.841 3.362 20 0 FGADHM O=c1nc(Cc2noc(-c3ccncc3F)n2)[n-]c2scc(C3CC3)c21 ZINC000546987487 503948258 /nfs/dbraw/zinc/94/82/58/503948258.db2.gz RSWAHMCVTIIJHE-UHFFFAOYSA-N -1 3 369.381 3.449 20 0 FGADHM CS(=O)(=O)[N-]c1ccc(-c2noc(-c3ccc4ncsc4c3)n2)cc1 ZINC000547016582 503956597 /nfs/dbraw/zinc/95/65/97/503956597.db2.gz LNIDUAZHHPZWSR-UHFFFAOYSA-N -1 3 372.431 3.385 20 0 FGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]Cc1ncccc1F ZINC000530427775 503961255 /nfs/dbraw/zinc/96/12/55/503961255.db2.gz QSDSLKSGYZCROT-UHFFFAOYSA-N -1 3 354.790 3.407 20 0 FGADHM Cc1ccccc1C=Cc1nc(-c2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)no1 ZINC000547063441 503971035 /nfs/dbraw/zinc/97/10/35/503971035.db2.gz XFLVDMYXAKEJLZ-RQWLHQTBSA-N -1 3 374.400 3.270 20 0 FGADHM CCS[C@H](c1nc(-c2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)no1)C(C)C ZINC000547063916 503972597 /nfs/dbraw/zinc/97/25/97/503972597.db2.gz YHWJMVAFZRKLJU-SCLBCKFNSA-N -1 3 374.466 3.241 20 0 FGADHM Cc1nc(COc2ccc(C(=O)N3CCCc4cccc([O-])c43)cc2)no1 ZINC000537613921 503974546 /nfs/dbraw/zinc/97/45/46/503974546.db2.gz SDNMAXVNUMAEFM-UHFFFAOYSA-N -1 3 365.389 3.256 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)C[C@@H]3CCO[C@@H](C(C)C)C3)[n-]c21 ZINC000541033806 503981654 /nfs/dbraw/zinc/98/16/54/503981654.db2.gz VIHBPNROWDMOBA-IUODEOHRSA-N -1 3 359.426 3.129 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)C[C@@H]3CCO[C@@H](C(C)C)C3)nc21 ZINC000541033806 503981659 /nfs/dbraw/zinc/98/16/59/503981659.db2.gz VIHBPNROWDMOBA-IUODEOHRSA-N -1 3 359.426 3.129 20 0 FGADHM CCOC[C@H]1CCN(C(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)C1 ZINC000530633132 504033492 /nfs/dbraw/zinc/03/34/92/504033492.db2.gz YQFAFDOHYUUTAU-AWEZNQCLSA-N -1 3 356.426 3.048 20 0 FGADHM CC1(C)C[C@H](c2nc(-c3ccc([N-]S(C)(=O)=O)cc3)no2)C(C)(C)O1 ZINC000528079665 504062441 /nfs/dbraw/zinc/06/24/41/504062441.db2.gz GBKNIUVDNAXNCL-CYBMUJFWSA-N -1 3 365.455 3.169 20 0 FGADHM Cc1ncc(CNC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2Cl)c(=O)[n-]1 ZINC000544262287 504065825 /nfs/dbraw/zinc/06/58/25/504065825.db2.gz CXDYLHJWFKSDTO-NWDGAFQWSA-N -1 3 352.221 3.217 20 0 FGADHM CC(C)[C@H]1C[C@H]([N-]S(=O)(=O)c2csc(-c3ccccc3)n2)CCO1 ZINC000537869167 504070317 /nfs/dbraw/zinc/07/03/17/504070317.db2.gz SPOPQZMDDBKQHE-HUUCEWRRSA-N -1 3 366.508 3.292 20 0 FGADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)Nc1scnc1C1CC1 ZINC000534251227 504084046 /nfs/dbraw/zinc/08/40/46/504084046.db2.gz OHYQIZLIVRCXGH-UHFFFAOYSA-N -1 3 355.423 3.138 20 0 FGADHM CCS(=O)(=O)c1cccc(CNC(=O)c2cc([O-])c3ccccc3c2)c1 ZINC000547405018 504092779 /nfs/dbraw/zinc/09/27/79/504092779.db2.gz QARGIYITCMGJOV-UHFFFAOYSA-N -1 3 369.442 3.269 20 0 FGADHM CN(c1ccccc1NC(=O)CNC(=O)c1cccc([O-])c1)C1CCCC1 ZINC000547429620 504101347 /nfs/dbraw/zinc/10/13/47/504101347.db2.gz NBEZORAMQUJQKS-UHFFFAOYSA-N -1 3 367.449 3.140 20 0 FGADHM O=C(c1c[n-]c2c(OC(F)(F)F)cccc2c1=O)N1C[C@@H]2CCC[C@@H]2C1 ZINC000544375809 504108669 /nfs/dbraw/zinc/10/86/69/504108669.db2.gz LGOLZAPCKSKAMA-PHIMTYICSA-N -1 3 366.339 3.299 20 0 FGADHM CC(=O)Nc1cc(F)c(F)cc1NC(=O)c1c[n-]c2ccc(C)cc2c1=O ZINC000544390449 504115080 /nfs/dbraw/zinc/11/50/80/504115080.db2.gz KYMOENLCTAAALQ-UHFFFAOYSA-N -1 3 371.343 3.325 20 0 FGADHM COc1cc(=NC(=O)NC2(c3ccc(Cl)cc3)CCCCC2)[n-]n1C ZINC000547521948 504135828 /nfs/dbraw/zinc/13/58/28/504135828.db2.gz RNMNNPCGILVJJN-UHFFFAOYSA-N -1 3 362.861 3.485 20 0 FGADHM Cc1ncc(CNC(=O)CCCc2cc(Cl)sc2Cl)c(=O)[n-]1 ZINC000541457773 504136142 /nfs/dbraw/zinc/13/61/42/504136142.db2.gz OLWGIFVKDAOIRN-UHFFFAOYSA-N -1 3 360.266 3.498 20 0 FGADHM CCCOc1ncccc1C[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000534423571 504138610 /nfs/dbraw/zinc/13/86/10/504138610.db2.gz FRGLMCXWWSOHBL-UHFFFAOYSA-N -1 3 358.822 3.141 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)c1cccnc1 ZINC000519125801 504146761 /nfs/dbraw/zinc/14/67/61/504146761.db2.gz BMUHGMZXXFIGFI-VIFPVBQESA-N -1 3 364.320 3.159 20 0 FGADHM Cc1ncc(CNC(=O)C[C@@H](C)c2ccc(Br)cc2)c(=O)[n-]1 ZINC000541529549 504164774 /nfs/dbraw/zinc/16/47/74/504164774.db2.gz KGMWBYUEMYQFBO-SNVBAGLBSA-N -1 3 364.243 3.063 20 0 FGADHM COCCOc1ccccc1C(=O)N=c1cc(-c2ccccc2C)[n-][nH]1 ZINC000538220407 504167130 /nfs/dbraw/zinc/16/71/30/504167130.db2.gz FAMWQKBYHWUFMD-UHFFFAOYSA-N -1 3 351.406 3.085 20 0 FGADHM Cc1ccc2[n-]cc(C(=O)N3CCO[C@@H](c4ccc(F)cc4)C3)c(=O)c2c1 ZINC000541570537 504181119 /nfs/dbraw/zinc/18/11/19/504181119.db2.gz HNYZBIBIIQQLAV-LJQANCHMSA-N -1 3 366.392 3.189 20 0 FGADHM O=C(NCCOC[C@@H]1CCCO1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000531089784 504184733 /nfs/dbraw/zinc/18/47/33/504184733.db2.gz CGSOWIPFYZZYSI-KRWDZBQOSA-N -1 3 357.406 3.110 20 0 FGADHM CCOC(=O)c1sc2[n-]c(CC3CCC(OC)CC3)nc(=O)c2c1C ZINC000544596211 504185320 /nfs/dbraw/zinc/18/53/20/504185320.db2.gz QGSKZWCWEOFEQV-UHFFFAOYSA-N -1 3 364.467 3.217 20 0 FGADHM Cc1ncc(S(=O)(=O)[N-][C@@H]2CCCOc3c(Cl)cccc32)s1 ZINC000538283146 504187110 /nfs/dbraw/zinc/18/71/10/504187110.db2.gz QSAPZGCPVDIJMO-GFCCVEGCSA-N -1 3 358.872 3.297 20 0 FGADHM CSc1cccc(N2C[C@H](C(=O)Nc3cc(F)ccc3[O-])CC2=O)c1 ZINC000531135240 504199383 /nfs/dbraw/zinc/19/93/83/504199383.db2.gz PUEUGHKKBQSUEZ-LLVKDONJSA-N -1 3 360.410 3.245 20 0 FGADHM Cc1ccc2c(c1)[C@H](NC(=O)Cc1ccc(Br)cc1[O-])CO2 ZINC000547749603 504211070 /nfs/dbraw/zinc/21/10/70/504211070.db2.gz UNCXXAGWELWIPR-CQSZACIVSA-N -1 3 362.223 3.256 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)c(F)c1 ZINC000544671552 504211719 /nfs/dbraw/zinc/21/17/19/504211719.db2.gz HUMBARBYSWZIAV-NVXWUHKLSA-N -1 3 367.417 3.472 20 0 FGADHM C[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)N1CCC(C)CC1 ZINC000519516733 504235823 /nfs/dbraw/zinc/23/58/23/504235823.db2.gz AHWWZNWYOJDBAY-LBPRGKRZSA-N -1 3 365.326 3.392 20 0 FGADHM CCCOc1ccc(CNC(=O)c2cc([O-])cc(Br)c2)cn1 ZINC000528474277 504239568 /nfs/dbraw/zinc/23/95/68/504239568.db2.gz OXXHZRJSTDKBNG-UHFFFAOYSA-N -1 3 365.227 3.269 20 0 FGADHM COc1cc(=NC(=O)NCC[C@@H](C)c2cccc(C(F)(F)F)c2)[n-]n1C ZINC000547838252 504243532 /nfs/dbraw/zinc/24/35/32/504243532.db2.gz GQSFRTBUYABJLK-LLVKDONJSA-N -1 3 370.375 3.185 20 0 FGADHM CCC([N-]S(=O)(=O)c1cc(F)ccc1OCCOC)(C1CC1)C1CC1 ZINC000528490204 504245237 /nfs/dbraw/zinc/24/52/37/504245237.db2.gz NLJCZTOZBRFSFI-UHFFFAOYSA-N -1 3 371.474 3.098 20 0 FGADHM O=S(=O)([N-][C@H]1CCO[C@H]1C1CC1)c1cc2cc(Cl)ccc2s1 ZINC000534819242 504250255 /nfs/dbraw/zinc/25/02/55/504250255.db2.gz FBIUJXZJPKKWJX-WFASDCNBSA-N -1 3 357.884 3.401 20 0 FGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCO[C@@H]2C2CC2)c1Cl ZINC000534819553 504251539 /nfs/dbraw/zinc/25/15/39/504251539.db2.gz QCQBVTZZPKGION-WCQYABFASA-N -1 3 350.267 3.148 20 0 FGADHM O=C1CCc2cc(Cl)c(S(=O)(=O)[N-]CC[C@@H]3CC=CCC3)cc2N1 ZINC000528528070 504262564 /nfs/dbraw/zinc/26/25/64/504262564.db2.gz JUAHOUSQMCYFIG-GFCCVEGCSA-N -1 3 368.886 3.249 20 0 FGADHM COC(=O)c1cc([N-]C(=O)c2ccc(C(C)=O)cc2F)c(F)cc1F ZINC000538499981 504264405 /nfs/dbraw/zinc/26/44/05/504264405.db2.gz ZUPFVDFHGMODPI-UHFFFAOYSA-N -1 3 351.280 3.345 20 0 FGADHM CN(C)C[C@@H]([N-]S(=O)(=O)c1ccco1)c1ccc(Cl)c(Cl)c1 ZINC000528546436 504268084 /nfs/dbraw/zinc/26/80/84/504268084.db2.gz KZQVRTJCPDAUDS-CYBMUJFWSA-N -1 3 363.266 3.168 20 0 FGADHM COc1ccc(CN[C@H]2C[C@](C)(OC)C2(C)C)c(Br)c1[O-] ZINC000544839607 504276474 /nfs/dbraw/zinc/27/64/74/504276474.db2.gz BHKKOMOIKILEHT-LRDDRELGSA-N -1 3 358.276 3.457 20 0 FGADHM C[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000547971437 504279200 /nfs/dbraw/zinc/27/92/00/504279200.db2.gz POKYRBAEGDUSFT-IPYPFGDCSA-N -1 3 373.902 3.222 20 0 FGADHM C[C@H](c1ccccc1)N1CC[C@@H](N=c2[n-]nc(-c3ccccn3)s2)C1 ZINC000544858124 504283074 /nfs/dbraw/zinc/28/30/74/504283074.db2.gz XORTXQVGAGIMMG-GDBMZVCRSA-N -1 3 351.479 3.269 20 0 FGADHM C[C@@H]1CCC[C@H](Cc2nc(-c3ccc([C@@]4(C)NC(=O)[N-]C4=O)cc3)no2)C1 ZINC000544915718 504298882 /nfs/dbraw/zinc/29/88/82/504298882.db2.gz QHKZXKBQAGLRJZ-MTJIALIYSA-N -1 3 368.437 3.160 20 0 FGADHM Cc1cocc1C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000528639048 504306408 /nfs/dbraw/zinc/30/64/08/504306408.db2.gz CTYQXRPJSUFCRS-UHFFFAOYSA-N -1 3 354.403 3.056 20 0 FGADHM Cc1cccc(S(=O)(=O)[N-]CCCOCCc2ccccc2)c1F ZINC000541933986 504308160 /nfs/dbraw/zinc/30/81/60/504308160.db2.gz WDIHBRCJDJZLBJ-UHFFFAOYSA-N -1 3 351.443 3.062 20 0 FGADHM O=S(=O)([N-]CC(F)(F)c1ccccc1)c1ccc2ncsc2c1 ZINC000519720387 504315481 /nfs/dbraw/zinc/31/54/81/504315481.db2.gz FVEXNAXUGBTSEG-UHFFFAOYSA-N -1 3 354.403 3.367 20 0 FGADHM Cn1cnc2cc(S(=O)(=O)[N-][C@@H](CC(C)(C)C)C(F)(F)F)ccc21 ZINC000538667586 504321259 /nfs/dbraw/zinc/32/12/59/504321259.db2.gz MFIBPSVMLNKGHC-ZDUSSCGKSA-N -1 3 363.405 3.219 20 0 FGADHM CCCCc1nc(C(=O)OCC)c(NC(=O)c2cnc(CC)s2)[n-]1 ZINC000519739909 504322762 /nfs/dbraw/zinc/32/27/62/504322762.db2.gz WTSQAZFXZVKQLS-UHFFFAOYSA-N -1 3 350.444 3.200 20 0 FGADHM CCCCc1nc(NC(=O)c2cnc(CC)s2)c(C(=O)OCC)[n-]1 ZINC000519739909 504322766 /nfs/dbraw/zinc/32/27/66/504322766.db2.gz WTSQAZFXZVKQLS-UHFFFAOYSA-N -1 3 350.444 3.200 20 0 FGADHM O=C(Nc1cc(F)cc(Cl)c1[O-])[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000548106641 504332542 /nfs/dbraw/zinc/33/25/42/504332542.db2.gz YBXWXNFTDGNXHP-CYBMUJFWSA-N -1 3 363.820 3.430 20 0 FGADHM Cc1noc(C)c1S(=O)(=O)[N-]CCc1nc2cc(Cl)ccc2s1 ZINC000531533721 504336364 /nfs/dbraw/zinc/33/63/64/504336364.db2.gz ZCWCTQMENKHXPY-UHFFFAOYSA-N -1 3 371.871 3.076 20 0 FGADHM O=S(=O)([N-]CCCCOCc1ccccc1)c1cncc(Cl)c1 ZINC000535088661 504341462 /nfs/dbraw/zinc/34/14/62/504341462.db2.gz VOBWZMOJAKFLPB-UHFFFAOYSA-N -1 3 354.859 3.010 20 0 FGADHM CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)N=c1[nH][n-]c(CC)c1C)O[C@@H](C)C2 ZINC000531547499 504341909 /nfs/dbraw/zinc/34/19/09/504341909.db2.gz AYPXOOHXULKQEO-HZUKXOBISA-N -1 3 369.465 3.167 20 0 FGADHM Cc1cc(NC(=O)c2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)ccc1C1CC1 ZINC000548143892 504345795 /nfs/dbraw/zinc/34/57/95/504345795.db2.gz RVRPKHNBKDVSCZ-NRFANRHFSA-N -1 3 363.417 3.179 20 0 FGADHM COc1cccc(OC)c1OCc1noc(-c2cc(-c3ccco3)n[n-]2)n1 ZINC000545073072 504348926 /nfs/dbraw/zinc/34/89/26/504348926.db2.gz VVOUGTMHDVMJLR-UHFFFAOYSA-N -1 3 368.349 3.316 20 0 FGADHM COc1cccc(OC)c1OCc1noc(-c2cc(-c3ccco3)[n-]n2)n1 ZINC000545073072 504348931 /nfs/dbraw/zinc/34/89/31/504348931.db2.gz VVOUGTMHDVMJLR-UHFFFAOYSA-N -1 3 368.349 3.316 20 0 FGADHM COc1cc(=NC(=O)NCc2ccccc2-c2ccc(Cl)cc2)[n-]n1C ZINC000548166013 504354541 /nfs/dbraw/zinc/35/45/41/504354541.db2.gz IECHWALSTOPRNP-UHFFFAOYSA-N -1 3 370.840 3.493 20 0 FGADHM COc1cc(=NC(=O)N(C)[C@@H](C)c2cccc(C(F)(F)F)c2)[n-]n1C ZINC000548167407 504356068 /nfs/dbraw/zinc/35/60/68/504356068.db2.gz JETCYEOVBHYRRT-JTQLQIEISA-N -1 3 356.348 3.094 20 0 FGADHM Cc1cc(C)c2c(=O)[n-]c(SCC(=O)N(C)[C@@H]3CCCC[C@H]3C)nc2n1 ZINC000531641142 504374125 /nfs/dbraw/zinc/37/41/25/504374125.db2.gz RBEBJTHDLREQMK-BXUZGUMPSA-N -1 3 374.510 3.476 20 0 FGADHM C[C@@H](C1CC1)n1cc(NC(=O)c2c[n-]nc2-c2ccc3c(c2)OCO3)cn1 ZINC000548309554 504394197 /nfs/dbraw/zinc/39/41/97/504394197.db2.gz COJFHZSPVBERMH-NSHDSACASA-N -1 3 365.393 3.225 20 0 FGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CC[C@H](CO)CC2)c1Cl ZINC000535373955 504416299 /nfs/dbraw/zinc/41/62/99/504416299.db2.gz GQRVIJPBRORMTC-XYPYZODXSA-N -1 3 352.283 3.131 20 0 FGADHM CCN(CC)[C@H](C[N-]S(=O)(=O)c1ccc(Cl)s1)c1ccco1 ZINC000520134701 504416955 /nfs/dbraw/zinc/41/69/55/504416955.db2.gz WFGAWJBRHLRMAU-LLVKDONJSA-N -1 3 362.904 3.356 20 0 FGADHM O=C(N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1)c1noc2c1CCCCC2 ZINC000548372143 504421319 /nfs/dbraw/zinc/42/13/19/504421319.db2.gz NSBZBIGRASGLNP-UHFFFAOYSA-N -1 3 358.348 3.286 20 0 FGADHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2F)C[C@H](C)O1 ZINC000548371775 504421528 /nfs/dbraw/zinc/42/15/28/504421528.db2.gz SKFYFUKZTIJFCQ-DOFRTFSJSA-N -1 3 355.353 3.079 20 0 FGADHM Cc1nc2cc([N-]S(=O)(=O)c3ccc4c(c3)CC(C)(C)O4)ccc2[nH]1 ZINC000535396393 504423693 /nfs/dbraw/zinc/42/36/93/504423693.db2.gz OLXVBQFYVGBWRP-UHFFFAOYSA-N -1 3 357.435 3.386 20 0 FGADHM Cc1nc2ccc([N-]S(=O)(=O)c3ccc4c(c3)CC(C)(C)O4)cc2[nH]1 ZINC000535396393 504423696 /nfs/dbraw/zinc/42/36/96/504423696.db2.gz OLXVBQFYVGBWRP-UHFFFAOYSA-N -1 3 357.435 3.386 20 0 FGADHM C[C@H](CN1C[C@H](C)C[C@@H](C)C1)[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000531851338 504446028 /nfs/dbraw/zinc/44/60/28/504446028.db2.gz HKYHRCLMBWATBY-RBSFLKMASA-N -1 3 350.484 3.078 20 0 FGADHM O=C(NC1(C2CC2)CC1)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000531867637 504451422 /nfs/dbraw/zinc/45/14/22/504451422.db2.gz HMYIVRASHFINDH-UHFFFAOYSA-N -1 3 374.437 3.299 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1cccc(Br)c1F)c1cccnc1 ZINC000542323143 504451449 /nfs/dbraw/zinc/45/14/49/504451449.db2.gz PYFBJBQUCIHAQA-VIFPVBQESA-N -1 3 359.220 3.023 20 0 FGADHM C/C=C\c1ccc(NC(=O)[C@@H](C)[N-]S(=O)(=O)c2cccs2)cc1 ZINC000520275059 504452311 /nfs/dbraw/zinc/45/23/11/504452311.db2.gz GLRBYWKCUMIFGG-KTLBGCOUSA-N -1 3 350.465 3.087 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]Cc2cccc(COCc3ccco3)c2)o1 ZINC000539108048 504475605 /nfs/dbraw/zinc/47/56/05/504475605.db2.gz XZDFQKKAWBSEIX-UHFFFAOYSA-N -1 3 361.419 3.376 20 0 FGADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)NC3(C4CC4)CC3)cs2)c1 ZINC000545457367 504494085 /nfs/dbraw/zinc/49/40/85/504494085.db2.gz MYEVQSWDUJCHRY-UHFFFAOYSA-N -1 3 371.462 3.011 20 0 FGADHM O=C(Nc1c[nH]nc1[C@@H]1CCCN(Cc2ncccc2[O-])C1)C1CCCC1 ZINC000520459113 504504565 /nfs/dbraw/zinc/50/45/65/504504565.db2.gz PUPVNDDIABNODY-OAHLLOKOSA-N -1 3 369.469 3.019 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3nnc(-c4ccco4)s3)c[n-]c12 ZINC000532020507 504508205 /nfs/dbraw/zinc/50/82/05/504508205.db2.gz RPFKEPBKHGNWFF-UHFFFAOYSA-N -1 3 370.365 3.339 20 0 FGADHM Cn1[n-]c(=NC(=O)NCc2c(Cl)cccc2Cl)cc1OC(F)F ZINC000548655816 504511523 /nfs/dbraw/zinc/51/15/23/504511523.db2.gz IDZCKBUDURRCJJ-UHFFFAOYSA-N -1 3 365.167 3.072 20 0 FGADHM CCCS(=O)(=O)[N-]c1cc(NC(=O)c2occc2C)c(F)cc1F ZINC000520500102 504513275 /nfs/dbraw/zinc/51/32/75/504513275.db2.gz GNLWGEOHWYCBHJ-UHFFFAOYSA-N -1 3 358.366 3.270 20 0 FGADHM CC1(C)CC(CNC(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)C1 ZINC000548701940 504534121 /nfs/dbraw/zinc/53/41/21/504534121.db2.gz XXFKDDKCTVHXOL-UHFFFAOYSA-N -1 3 359.470 3.189 20 0 FGADHM CC(C)[C@H](C)N(C)C(=O)Cc1csc(NC(=O)c2cccc([O-])c2)n1 ZINC000539366944 504543181 /nfs/dbraw/zinc/54/31/81/504543181.db2.gz JOJRNEIZQWMWID-LBPRGKRZSA-N -1 3 361.467 3.146 20 0 FGADHM COC(=O)C(C)(C)N(C)Cc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000520632459 504546301 /nfs/dbraw/zinc/54/63/01/504546301.db2.gz WNJSVLPOUMVTBN-UHFFFAOYSA-N -1 3 371.462 3.447 20 0 FGADHM CO[C@H](c1ccccc1F)[C@@H](C)[N-]S(=O)(=O)c1cc(C)c(F)cc1F ZINC000539384897 504550553 /nfs/dbraw/zinc/55/05/53/504550553.db2.gz NASKTKRMKZRUSY-DIFFPNOSSA-N -1 3 373.396 3.467 20 0 FGADHM Cc1cc([N-]C(=O)[C@@H](C)N2CCC[C@H](OCc3ccccc3F)C2)on1 ZINC000548754981 504553380 /nfs/dbraw/zinc/55/33/80/504553380.db2.gz ZEMOXJGTIZFZJG-ZBFHGGJFSA-N -1 3 361.417 3.130 20 0 FGADHM CCc1cc(=O)[n-]c(CN[C@@H](C)c2nc(-c3ccc(C)c(F)c3)no2)n1 ZINC000542613611 504553842 /nfs/dbraw/zinc/55/38/42/504553842.db2.gz RXXQFROIUQTJBI-NSHDSACASA-N -1 3 357.389 3.093 20 0 FGADHM Cc1cc(C)cc(-c2nc(-c3cccc([C@]4(C)NC(=O)[N-]C4=O)c3)no2)c1 ZINC000545654728 504554061 /nfs/dbraw/zinc/55/40/61/504554061.db2.gz KTNAWQIUAGYYCL-FQEVSTJZSA-N -1 3 362.389 3.075 20 0 FGADHM C[C@@H](c1ccsc1)c1nc(-c2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)no1 ZINC000545658146 504554601 /nfs/dbraw/zinc/55/46/01/504554601.db2.gz BXSWNDNOXFVAJK-YPMLDQLKSA-N -1 3 368.418 3.005 20 0 FGADHM Cc1ccc2[nH]c3c(c2c1)C[C@H](NC(=O)N=c1cc2ccccn2[n-]1)CC3 ZINC000548763429 504557049 /nfs/dbraw/zinc/55/70/49/504557049.db2.gz XOMOZRGACKNNPC-CQSZACIVSA-N -1 3 359.433 3.225 20 0 FGADHM O=C(N=c1cc2ccccn2[n-]1)N[C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000548771521 504559721 /nfs/dbraw/zinc/55/97/21/504559721.db2.gz AFJNMEWSCPUJPO-QAPCUYQASA-N -1 3 350.422 3.046 20 0 FGADHM O=S(=O)([N-]C[C@H]1[C@@H]2c3ccccc3C[C@H]12)c1cc(F)cc(Cl)c1 ZINC000535901509 504576726 /nfs/dbraw/zinc/57/67/26/504576726.db2.gz MEZVWUDUQXSCJS-BRWVUGGUSA-N -1 3 351.830 3.343 20 0 FGADHM C[C@H]1CC[C@H]([N-]S(=O)(=O)c2cc(Br)ccc2F)CC1 ZINC000520835339 504592936 /nfs/dbraw/zinc/59/29/36/504592936.db2.gz JYJCEPOXECHALQ-HOMQSWHASA-N -1 3 350.253 3.445 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3cccc(-n4cccn4)c3)c[n-]c12 ZINC000532277676 504596117 /nfs/dbraw/zinc/59/61/17/504596117.db2.gz RVBQTMMCCZGMLX-UHFFFAOYSA-N -1 3 362.364 3.414 20 0 FGADHM C[C@]1(c2cccc(-c3noc(-c4ccc(Cl)s4)n3)c2)NC(=O)[N-]C1=O ZINC000545795834 504599053 /nfs/dbraw/zinc/59/90/53/504599053.db2.gz XMWASJHUWFSDFP-MRXNPFEDSA-N -1 3 374.809 3.173 20 0 FGADHM CC(C)(C)c1nnc(C[N-]S(=O)(=O)c2ccc3c(c2)CCCC3)s1 ZINC000532333822 504614477 /nfs/dbraw/zinc/61/44/77/504614477.db2.gz OMKDWQHRSUAPIF-UHFFFAOYSA-N -1 3 365.524 3.193 20 0 FGADHM COCCc1nc2cc([N-]S(=O)(=O)Cc3ccccc3C)ccc2o1 ZINC000545859303 504617181 /nfs/dbraw/zinc/61/71/81/504617181.db2.gz RCAGECFRDGIBGV-UHFFFAOYSA-N -1 3 360.435 3.267 20 0 FGADHM CC(C)CC[C@@H]1CCCCN1C(=O)CC[N-]S(=O)(=O)c1cccs1 ZINC000532382617 504630319 /nfs/dbraw/zinc/63/03/19/504630319.db2.gz JMCDAGKKLLFQHY-HNNXBMFYSA-N -1 3 372.556 3.234 20 0 FGADHM CC(C)(C)c1cnc(CCC(=O)Nc2n[n-]c(-c3ccccc3F)n2)o1 ZINC000548942591 504630450 /nfs/dbraw/zinc/63/04/50/504630450.db2.gz HSNFONOWNIYUQO-UHFFFAOYSA-N -1 3 357.389 3.468 20 0 FGADHM COc1ccc(CCN(CC(C)(C)C)C(=O)c2cc(C)nc(=O)[n-]2)cc1 ZINC000532410216 504638997 /nfs/dbraw/zinc/63/89/97/504638997.db2.gz XWMHEFVBTZUWOF-UHFFFAOYSA-N -1 3 357.454 3.230 20 0 FGADHM CCc1ccc([C@H](CO)NCc2nc3c4ccccc4oc3c(=O)[n-]2)cc1 ZINC000542881439 504645791 /nfs/dbraw/zinc/64/57/91/504645791.db2.gz PTSJROMQPOEUJY-INIZCTEOSA-N -1 3 363.417 3.467 20 0 FGADHM O=C(c1cc([O-])cc(Br)c1)N1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000529406843 504658903 /nfs/dbraw/zinc/65/89/03/504658903.db2.gz KCKWSOGYSRIGMA-HUUCEWRRSA-N -1 3 366.255 3.328 20 0 FGADHM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc([C@@H]3CNC(=O)C3)c2)c(C)c1 ZINC000532498416 504672023 /nfs/dbraw/zinc/67/20/23/504672023.db2.gz WKBUDPBBRZKQQU-INIZCTEOSA-N -1 3 358.463 3.016 20 0 FGADHM Cc1nc(S(=O)(=O)[N-]Cc2coc(-c3ccc(C)cc3)n2)sc1C ZINC000532497286 504672305 /nfs/dbraw/zinc/67/23/05/504672305.db2.gz RIRMVYXRSIADEB-UHFFFAOYSA-N -1 3 363.464 3.202 20 0 FGADHM Cc1nc2sc3c(c2c(N(C)C[C@H](C)c2nnn[n-]2)n1)CCCCC3 ZINC000543031951 504698144 /nfs/dbraw/zinc/69/81/44/504698144.db2.gz BUDIFZPVLKEHKS-JTQLQIEISA-N -1 3 357.487 3.022 20 0 FGADHM Cc1nc2sc3c(c2c(N(C)C[C@H](C)c2nn[n-]n2)n1)CCCCC3 ZINC000543031951 504698147 /nfs/dbraw/zinc/69/81/47/504698147.db2.gz BUDIFZPVLKEHKS-JTQLQIEISA-N -1 3 357.487 3.022 20 0 FGADHM O=C(c1cc([O-])cc(Br)c1)N1CCC[C@H]1[C@@H]1CCCOC1 ZINC000529502099 504700952 /nfs/dbraw/zinc/70/09/52/504700952.db2.gz BXFTURURPBUDBH-ABAIWWIYSA-N -1 3 354.244 3.186 20 0 FGADHM CC(C)(C)OC(=O)[C@@H]1CCCCN1C(=O)Cc1ccc([O-])cc1Cl ZINC000536350040 504705771 /nfs/dbraw/zinc/70/57/71/504705771.db2.gz YETANWKRWFTDID-HNNXBMFYSA-N -1 3 353.846 3.311 20 0 FGADHM Cc1ccsc1CCCC(=O)Nc1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000532672010 504731199 /nfs/dbraw/zinc/73/11/99/504731199.db2.gz NSQINYDXUYIKDC-LJQANCHMSA-N -1 3 371.462 3.073 20 0 FGADHM Cc1nc(C(C)(C)C)sc1C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000532673037 504731341 /nfs/dbraw/zinc/73/13/41/504731341.db2.gz RLOKVJVPOTWFDI-UHFFFAOYSA-N -1 3 356.455 3.105 20 0 FGADHM Cc1nc(C(C)(C)C)sc1C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000532673037 504731348 /nfs/dbraw/zinc/73/13/48/504731348.db2.gz RLOKVJVPOTWFDI-UHFFFAOYSA-N -1 3 356.455 3.105 20 0 FGADHM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-]CC[C@H](C)c1ccccc1 ZINC000546164348 504732367 /nfs/dbraw/zinc/73/23/67/504732367.db2.gz JBTMOQBQXOWLLA-ZDUSSCGKSA-N -1 3 365.426 3.084 20 0 FGADHM CS(=O)(=O)[N-]c1cc(C(=O)NCC(C2CCC2)C2CCC2)ccc1F ZINC000529613829 504742044 /nfs/dbraw/zinc/74/20/44/504742044.db2.gz POYJRAGQCCRNNL-UHFFFAOYSA-N -1 3 368.474 3.143 20 0 FGADHM COc1cc2c(cc1F)[n-]cc(C(=O)N(C)Cc1cccc(F)c1)c2=O ZINC000539934099 504742089 /nfs/dbraw/zinc/74/20/89/504742089.db2.gz MQUWIIYJWPHIPG-UHFFFAOYSA-N -1 3 358.344 3.087 20 0 FGADHM C[C@@]1(CNC(=O)c2cc([O-])ccc2C(F)(F)F)COc2ccccc2O1 ZINC000529616613 504743547 /nfs/dbraw/zinc/74/35/47/504743547.db2.gz JEZQXVGCNHATLW-QGZVFWFLSA-N -1 3 367.323 3.371 20 0 FGADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)C[C@H]1C=CCC1 ZINC000521483233 504745572 /nfs/dbraw/zinc/74/55/72/504745572.db2.gz RJUKQJFSSAVZFI-JTQLQIEISA-N -1 3 362.373 3.372 20 0 FGADHM O=S(=O)([N-]CC1(Cc2ccc(F)cc2)CC1)c1cncc(Cl)c1 ZINC000539947846 504745777 /nfs/dbraw/zinc/74/57/77/504745777.db2.gz DFVGTJAULUMZHV-UHFFFAOYSA-N -1 3 354.834 3.175 20 0 FGADHM O=C(CCC(=O)c1ccc2c(c1)OCCO2)Nc1cc(Cl)ccc1[O-] ZINC000532749485 504751337 /nfs/dbraw/zinc/75/13/37/504751337.db2.gz JGMOVMWNWVPPOC-UHFFFAOYSA-N -1 3 361.781 3.418 20 0 FGADHM CCCS(=O)(=O)[N-]c1ccc(C(=O)Nc2cc3n[nH]cc3cc2C)cc1 ZINC000521519792 504751737 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/nfs/dbraw/zinc/16/52/07/516165207.db2.gz IELSWFLRAYVKBJ-UHFFFAOYSA-N -1 3 353.494 3.186 20 0 FGADHM CCN=c1[n-]c(C(=O)N2C[C@H](C)N(Cc3ccccc3)C[C@@H]2C)cs1 ZINC000501862969 516246001 /nfs/dbraw/zinc/24/60/01/516246001.db2.gz ODXVROQQQYOCOP-GJZGRUSLSA-N -1 3 358.511 3.310 20 0 FGADHM C[C@H]1CCCCN1CCNC(=O)N=c1[n-]nc(/C=C\c2ccco2)s1 ZINC000484052277 516288054 /nfs/dbraw/zinc/28/80/54/516288054.db2.gz XPZAENVPYKDXSE-WSROAFLRSA-N -1 3 361.471 3.297 20 0 FGADHM Cc1cc(=NC(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)[n-]nc1C ZINC000531817221 516657006 /nfs/dbraw/zinc/65/70/06/516657006.db2.gz NFFHMBMGVQKOFY-MRXNPFEDSA-N -1 3 353.470 3.222 20 0 FGADHM CCCN(C)[C@H](CNC(=O)N=c1[n-]ncs1)c1ccc(Cl)cc1 ZINC000513590572 516682898 /nfs/dbraw/zinc/68/28/98/516682898.db2.gz WKOYLWQRNOFMII-CYBMUJFWSA-N -1 3 353.879 3.396 20 0 FGADHM O=C(N=c1[n-]nc(-c2ccccc2)s1)NC[C@@H]1CCN1C1CCCC1 ZINC000528875695 516766540 /nfs/dbraw/zinc/76/65/40/516766540.db2.gz KXMIABGSCFTNCX-HNNXBMFYSA-N -1 3 357.483 3.344 20 0 FGADHM CC[C@H](C(=O)N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1)N(C)C ZINC000532813695 517157039 /nfs/dbraw/zinc/15/70/39/517157039.db2.gz HQKVZIBLTQRXIU-CYBMUJFWSA-N -1 3 369.238 3.257 20 0 FGADHM CCCCCOc1ccc([C@@H](C)N=c2nc3[nH][n-]cc-3c(N)n2)cc1OC ZINC000545484443 517263750 /nfs/dbraw/zinc/26/37/50/517263750.db2.gz UMSWLUCRDWHWTD-GFCCVEGCSA-N -1 3 370.457 3.059 20 0 FGADHM CN(C)[C@@H](C(=O)N=c1cc(-c2ccncc2)[n-][nH]1)c1cccc(Cl)c1 ZINC000520395218 517378003 /nfs/dbraw/zinc/37/80/03/517378003.db2.gz DSJAWCQTBWBCNV-QGZVFWFLSA-N -1 3 355.829 3.367 20 0 FGADHM CSc1ncc(C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)n1-c1ccccc1 ZINC000526959366 517411642 /nfs/dbraw/zinc/41/16/42/517411642.db2.gz LIJGCYKEUJWOLD-HNNXBMFYSA-N -1 3 369.450 3.421 20 0 FGADHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)[C@H]1CCCCN1Cc1ccccc1 ZINC000526959291 517411905 /nfs/dbraw/zinc/41/19/05/517411905.db2.gz DEXSOEWEMZMHJG-MSOLQXFVSA-N -1 3 354.454 3.254 20 0 FGADHM CC[C@@H](C)C(=O)N1CSC[C@@H]1C(=O)N=c1cc(-c2ccccc2C)[n-][nH]1 ZINC000538220741 517510540 /nfs/dbraw/zinc/51/05/40/517510540.db2.gz SPPKZXBYLABMJF-MLGOLLRUSA-N -1 3 372.494 3.271 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@@H]2[C@H](C)O[C@H](C)[C@H]2C)c1-c1ccc2c(c1)OCCO2 ZINC000530266037 517667688 /nfs/dbraw/zinc/66/76/88/517667688.db2.gz MZUQXGRTWJGNPJ-XPZRHXQJSA-N -1 3 371.437 3.154 20 0 FGADHM CCC[C@@H](OCC)C(=O)N=c1[nH][n-]c(C)c1-c1ccc2c(c1)OCCO2 ZINC000530268224 517669582 /nfs/dbraw/zinc/66/95/82/517669582.db2.gz UDHMRTXMOFAWOP-OAHLLOKOSA-N -1 3 359.426 3.300 20 0 FGADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)c2cnc(C)nc2C)[nH][n-]1 ZINC000538622257 517694172 /nfs/dbraw/zinc/69/41/72/517694172.db2.gz WAICFMXJOKGAFU-UHFFFAOYSA-N -1 3 357.801 3.398 20 0 FGADHM C[C@H](Oc1cnc2ccccc2c1)C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000527500249 517712862 /nfs/dbraw/zinc/71/28/62/517712862.db2.gz VZUMUPLAHKNDHJ-YVEFUNNKSA-N -1 3 352.394 3.215 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(NCCOc3ccc(F)cc3)nc2)n1 ZINC000517162656 518044881 /nfs/dbraw/zinc/04/48/81/518044881.db2.gz HZLVIHQLJXHLRA-UHFFFAOYSA-N -1 3 354.385 3.437 20 0 FGADHM CC[C@H](c1n[n-]c(=NC(=O)NC[C@@H]2CCCN2C)s1)c1ccccc1 ZINC000517379928 518134161 /nfs/dbraw/zinc/13/41/61/518134161.db2.gz NHMHYPJZQWZDRZ-GJZGRUSLSA-N -1 3 359.499 3.296 20 0 FGADHM CSCc1ccc(CNC(=O)N=c2[n-]n(C)cc2Br)cc1 ZINC000603050924 520049134 /nfs/dbraw/zinc/04/91/34/520049134.db2.gz SAXVHKWDQSNTJS-UHFFFAOYSA-N -1 3 369.288 3.367 20 0 FGADHM O=C(CCOc1ccc(Cl)c(F)c1)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000616824187 520165019 /nfs/dbraw/zinc/16/50/19/520165019.db2.gz ABYOKOPFSIZOIW-AWEZNQCLSA-N -1 3 353.781 3.461 20 0 FGADHM CC(C)(C)OC(=O)c1ccccc1CC(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000601664127 520894543 /nfs/dbraw/zinc/89/45/43/520894543.db2.gz IMXBZFXENPPDMD-INIZCTEOSA-N -1 3 371.437 3.398 20 0 FGADHM O=C(N=c1[n-]nc(/C=C/c2ccco2)s1)NC[C@H]1CCN1C1CCCC1 ZINC000626466159 522210882 /nfs/dbraw/zinc/21/08/82/522210882.db2.gz LURQIBFJFADACH-HSBSLETESA-N -1 3 373.482 3.440 20 0 FGADHM COc1cccc(-c2c(C)[n-][nH]c2=NC(=O)c2nnn(C(C)C)c2C)c1 ZINC000629692971 522397525 /nfs/dbraw/zinc/39/75/25/522397525.db2.gz YCFFAXRFDHKZRY-UHFFFAOYSA-N -1 3 354.414 3.127 20 0 FGADHM Cc1cc(C(=O)N=c2[nH][n-]cc2Br)c(C)n1[C@H]1CCCOC1 ZINC000629992863 522573381 /nfs/dbraw/zinc/57/33/81/522573381.db2.gz XLUSJBSQFCQEIS-NSHDSACASA-N -1 3 367.247 3.194 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@@H](C)NC(=O)CC(C)(C)C)c1-c1ccccc1F ZINC000630024208 522586656 /nfs/dbraw/zinc/58/66/56/522586656.db2.gz ATMSWQFRLAWOMU-GFCCVEGCSA-N -1 3 360.433 3.404 20 0 FGADHM CCC[C@@H](C)N1C[C@H](C(=O)N=c2[nH][n-]c(C)c2-c2ccccc2F)CC1=O ZINC000630024333 522586914 /nfs/dbraw/zinc/58/69/14/522586914.db2.gz NOSKYOYRLBFUKE-TZMCWYRMSA-N -1 3 372.444 3.500 20 0 FGADHM CC(C)(C)[C@@H](CCO)NC(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482111555 561248651 /nfs/dbraw/zinc/24/86/51/561248651.db2.gz CXONLXFANHOYFC-GFCCVEGCSA-N -1 3 369.263 3.015 20 0 FGADHM CN(C(=O)N=c1cc2ccc(Br)cn2[n-]1)[C@@H]1CCSC1 ZINC000482169355 561249442 /nfs/dbraw/zinc/24/94/42/561249442.db2.gz MBTPBQQWPQGNMY-LLVKDONJSA-N -1 3 355.261 3.066 20 0 FGADHM Cn1[n-]c(=NC(=O)COc2cccc(C(F)(F)F)c2)cc1OC(F)F ZINC000491002740 561441660 /nfs/dbraw/zinc/44/16/60/561441660.db2.gz LGMRSBUXHQIORO-UHFFFAOYSA-N -1 3 365.258 3.058 20 0 FGADHM O=C(Nc1n[nH]c(-c2c(F)cccc2F)n1)c1csc(=NC2CC2)[n-]1 ZINC000495015077 561480958 /nfs/dbraw/zinc/48/09/58/561480958.db2.gz DTLUIKNZPYPXML-UHFFFAOYSA-N -1 3 362.365 3.033 20 0 FGADHM CCN=c1[n-]c(C(=O)N[C@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)cs1 ZINC000497893236 561510838 /nfs/dbraw/zinc/51/08/38/561510838.db2.gz PVMGUKYIOXFZNA-DZGCQCFKSA-N -1 3 366.437 3.028 20 0 FGADHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)c1cccc(OC[C@H]2CCCO2)c1 ZINC000525967169 562261501 /nfs/dbraw/zinc/26/15/01/562261501.db2.gz UDGPTGYRNQRVCZ-NVXWUHKLSA-N -1 3 357.410 3.071 20 0 FGADHM CS(=O)(=O)[N-]c1ccc(C(=O)NCc2ccc(-c3ccccc3)o2)cc1 ZINC000617133630 568351240 /nfs/dbraw/zinc/35/12/40/568351240.db2.gz UNPSQEKDLHXQHK-UHFFFAOYSA-N -1 3 370.430 3.248 20 0 FGADHM CCOc1nc2ccc(C(=O)Nc3cccnc3-c3cnn(C)c3)cc2[n-]1 ZINC000647748023 568400591 /nfs/dbraw/zinc/40/05/91/568400591.db2.gz XRSFHVMHPNZZKW-UHFFFAOYSA-N -1 3 362.393 3.009 20 0 FGADHM CCOc1nc2cc(C(=O)Nc3cccnc3-c3cnn(C)c3)ccc2[n-]1 ZINC000647748023 568400592 /nfs/dbraw/zinc/40/05/92/568400592.db2.gz XRSFHVMHPNZZKW-UHFFFAOYSA-N -1 3 362.393 3.009 20 0 FGADHM CC[C@H](NC(=O)c1c(C)cccc1[O-])[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000626270674 568535706 /nfs/dbraw/zinc/53/57/06/568535706.db2.gz JJNNDNWJEBFGRH-FXAWDEMLSA-N -1 3 364.449 3.399 20 0 FGADHM CSCCCCC(=O)Nc1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000737181978 598829810 /nfs/dbraw/zinc/82/98/10/598829810.db2.gz MOOXTKGKSWTNRE-UHFFFAOYSA-N -1 3 374.495 3.462 20 0 FGADHM CSCCCCC(=O)Nc1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000737181978 598829811 /nfs/dbraw/zinc/82/98/11/598829811.db2.gz MOOXTKGKSWTNRE-UHFFFAOYSA-N -1 3 374.495 3.462 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H](C)c1cccc(C)c1 ZINC000736634916 598830544 /nfs/dbraw/zinc/83/05/44/598830544.db2.gz KUPGFHNDZXBGFY-CYBMUJFWSA-N -1 3 351.410 3.316 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H](C)c1cccc(C)c1 ZINC000736634916 598830545 /nfs/dbraw/zinc/83/05/45/598830545.db2.gz KUPGFHNDZXBGFY-CYBMUJFWSA-N -1 3 351.410 3.316 20 0 FGADHM CC(C)OCCC(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000735896168 598833662 /nfs/dbraw/zinc/83/36/62/598833662.db2.gz LVNABFZYWFNWKJ-UHFFFAOYSA-N -1 3 371.466 3.027 20 0 FGADHM Cc1ccoc1C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000737441491 598836041 /nfs/dbraw/zinc/83/60/41/598836041.db2.gz GINZNTGRMCDXMA-UHFFFAOYSA-N -1 3 365.418 3.427 20 0 FGADHM CC(=O)Nc1cc(NC(=O)Nc2cc(-c3nnn[n-]3)ccc2C)ccc1C ZINC000735482933 598850315 /nfs/dbraw/zinc/85/03/15/598850315.db2.gz XCONMMOIJBLBSN-UHFFFAOYSA-N -1 3 365.397 3.086 20 0 FGADHM CC(=O)Nc1cc(NC(=O)Nc2cc(-c3nn[n-]n3)ccc2C)ccc1C ZINC000735482933 598850316 /nfs/dbraw/zinc/85/03/16/598850316.db2.gz XCONMMOIJBLBSN-UHFFFAOYSA-N -1 3 365.397 3.086 20 0 FGADHM COCc1cccc(NC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000737016717 598850877 /nfs/dbraw/zinc/85/08/77/598850877.db2.gz FXIUEWQYYCAFML-UHFFFAOYSA-N -1 3 358.789 3.311 20 0 FGADHM COCc1cccc(NC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000737016717 598850879 /nfs/dbraw/zinc/85/08/79/598850879.db2.gz FXIUEWQYYCAFML-UHFFFAOYSA-N -1 3 358.789 3.311 20 0 FGADHM c1cc2c(ncnc2NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)[nH]1 ZINC000738412263 598855281 /nfs/dbraw/zinc/85/52/81/598855281.db2.gz DFVHFCJGSUUHHE-UHFFFAOYSA-N -1 3 374.433 3.479 20 0 FGADHM c1cc2c(ncnc2NCc2cccc(-c3ccc(-c4nn[n-]n4)s3)c2)[nH]1 ZINC000738412263 598855284 /nfs/dbraw/zinc/85/52/84/598855284.db2.gz DFVHFCJGSUUHHE-UHFFFAOYSA-N -1 3 374.433 3.479 20 0 FGADHM C[C@H](NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C1CCCC1 ZINC000736126066 598861177 /nfs/dbraw/zinc/86/11/77/598861177.db2.gz LYPGHUXAKFZNPD-VIFPVBQESA-N -1 3 350.879 3.385 20 0 FGADHM C[C@H](NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C1CCCC1 ZINC000736126066 598861179 /nfs/dbraw/zinc/86/11/79/598861179.db2.gz LYPGHUXAKFZNPD-VIFPVBQESA-N -1 3 350.879 3.385 20 0 FGADHM CC(C)c1cc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)on1 ZINC000735922611 598862472 /nfs/dbraw/zinc/86/24/72/598862472.db2.gz NLCLCJXUXPQWCG-UHFFFAOYSA-N -1 3 358.427 3.171 20 0 FGADHM CC1CCC(Oc2cc(CNc3ncccc3-c3nnn[n-]3)ccn2)CC1 ZINC000736244201 598869896 /nfs/dbraw/zinc/86/98/96/598869896.db2.gz FGFFFCLQDZELSN-UHFFFAOYSA-N -1 3 365.441 3.226 20 0 FGADHM CC1CCC(Oc2cc(CNc3ncccc3-c3nn[n-]n3)ccn2)CC1 ZINC000736244201 598869898 /nfs/dbraw/zinc/86/98/98/598869898.db2.gz FGFFFCLQDZELSN-UHFFFAOYSA-N -1 3 365.441 3.226 20 0 FGADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)OCCc1ccc2ccccc2c1 ZINC000737955523 598881981 /nfs/dbraw/zinc/88/19/81/598881981.db2.gz JDPJXHVVTZEYFI-UHFFFAOYSA-N -1 3 358.401 3.348 20 0 FGADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)OCCc1ccc2ccccc2c1 ZINC000737955523 598881982 /nfs/dbraw/zinc/88/19/82/598881982.db2.gz JDPJXHVVTZEYFI-UHFFFAOYSA-N -1 3 358.401 3.348 20 0 FGADHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)Cc1ccccc1Cl ZINC000736041500 598883343 /nfs/dbraw/zinc/88/33/43/598883343.db2.gz WSQMSYYHGQGMKB-GFCCVEGCSA-N -1 3 372.812 3.073 20 0 FGADHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)Cc1ccccc1Cl ZINC000736041500 598883345 /nfs/dbraw/zinc/88/33/45/598883345.db2.gz WSQMSYYHGQGMKB-GFCCVEGCSA-N -1 3 372.812 3.073 20 0 FGADHM Cc1ccc(C(=O)O[C@@H](C)COc2cccc(-c3nnn[n-]3)c2)c(C)c1 ZINC000737315835 598883758 /nfs/dbraw/zinc/88/37/58/598883758.db2.gz QZGDCLKIDTZBNO-AWEZNQCLSA-N -1 3 352.394 3.108 20 0 FGADHM Cc1ccc(C(=O)O[C@@H](C)COc2cccc(-c3nn[n-]n3)c2)c(C)c1 ZINC000737315835 598883760 /nfs/dbraw/zinc/88/37/60/598883760.db2.gz QZGDCLKIDTZBNO-AWEZNQCLSA-N -1 3 352.394 3.108 20 0 FGADHM Cc1cc(C)c(-c2nnn[n-]2)c(SCCc2nc3ccccc3n2C)n1 ZINC000737241635 598892483 /nfs/dbraw/zinc/89/24/83/598892483.db2.gz SRZMHLRLNKOPHZ-UHFFFAOYSA-N -1 3 365.466 3.100 20 0 FGADHM Cc1cc(C)c(-c2nn[n-]n2)c(SCCc2nc3ccccc3n2C)n1 ZINC000737241635 598892485 /nfs/dbraw/zinc/89/24/85/598892485.db2.gz SRZMHLRLNKOPHZ-UHFFFAOYSA-N -1 3 365.466 3.100 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N[C@H]1C[C@H]1c1c(F)cccc1Cl ZINC000738152000 598913116 /nfs/dbraw/zinc/91/31/16/598913116.db2.gz OGMPRDHFHMMCMG-RISCZKNCSA-N -1 3 372.791 3.337 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N[C@H]1C[C@H]1c1c(F)cccc1Cl ZINC000738152000 598913118 /nfs/dbraw/zinc/91/31/18/598913118.db2.gz OGMPRDHFHMMCMG-RISCZKNCSA-N -1 3 372.791 3.337 20 0 FGADHM C[C@H]1CCCC[C@H]1CCNC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736259351 598921794 /nfs/dbraw/zinc/92/17/94/598921794.db2.gz DQBZUYFAGWUPBW-HOCLYGCPSA-N -1 3 356.474 3.225 20 0 FGADHM C[C@H]1CCCC[C@H]1CCNC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736259351 598921795 /nfs/dbraw/zinc/92/17/95/598921795.db2.gz DQBZUYFAGWUPBW-HOCLYGCPSA-N -1 3 356.474 3.225 20 0 FGADHM CC[C@H]1c2ccccc2CCN1C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000736404983 598923050 /nfs/dbraw/zinc/92/30/50/598923050.db2.gz CLTJUSAIKXHLLD-SFHVURJKSA-N -1 3 362.437 3.086 20 0 FGADHM CC[C@H]1c2ccccc2CCN1C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000736404983 598923052 /nfs/dbraw/zinc/92/30/52/598923052.db2.gz CLTJUSAIKXHLLD-SFHVURJKSA-N -1 3 362.437 3.086 20 0 FGADHM C[C@@H](NC(=O)c1sccc1-c1nnn[n-]1)c1nc2ccccc2s1 ZINC000736124163 598928615 /nfs/dbraw/zinc/92/86/15/598928615.db2.gz FOTPPVVXMQWRTC-MRVPVSSYSA-N -1 3 356.436 3.029 20 0 FGADHM C[C@@H](NC(=O)c1sccc1-c1nn[n-]n1)c1nc2ccccc2s1 ZINC000736124163 598928616 /nfs/dbraw/zinc/92/86/16/598928616.db2.gz FOTPPVVXMQWRTC-MRVPVSSYSA-N -1 3 356.436 3.029 20 0 FGADHM Fc1ccc(C[C@H]2CCCN2c2ncc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000737652640 598939066 /nfs/dbraw/zinc/93/90/66/598939066.db2.gz ZSNIDHHTPAZKRK-CQSZACIVSA-N -1 3 358.808 3.266 20 0 FGADHM Fc1ccc(C[C@H]2CCCN2c2ncc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000737652640 598939067 /nfs/dbraw/zinc/93/90/67/598939067.db2.gz ZSNIDHHTPAZKRK-CQSZACIVSA-N -1 3 358.808 3.266 20 0 FGADHM O=C(Nc1ccc(F)cc1OCC1CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738166796 598946421 /nfs/dbraw/zinc/94/64/21/598946421.db2.gz WEASDYYOYHJRSF-UHFFFAOYSA-N -1 3 353.357 3.047 20 0 FGADHM O=C(Nc1ccc(F)cc1OCC1CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738166796 598946424 /nfs/dbraw/zinc/94/64/24/598946424.db2.gz WEASDYYOYHJRSF-UHFFFAOYSA-N -1 3 353.357 3.047 20 0 FGADHM CCC[C@@H](C)NC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000736424346 598979863 /nfs/dbraw/zinc/97/98/63/598979863.db2.gz QMTDJPYITHYTNQ-CQSZACIVSA-N -1 3 365.437 3.364 20 0 FGADHM CCC[C@@H](C)NC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000736424346 598979865 /nfs/dbraw/zinc/97/98/65/598979865.db2.gz QMTDJPYITHYTNQ-CQSZACIVSA-N -1 3 365.437 3.364 20 0 FGADHM O=C(C[C@@H]1OCCc2ccccc21)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000737819667 598986602 /nfs/dbraw/zinc/98/66/02/598986602.db2.gz NXKCIBKKLIPBCQ-INIZCTEOSA-N -1 3 369.812 3.163 20 0 FGADHM O=C(C[C@@H]1OCCc2ccccc21)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000737819667 598986604 /nfs/dbraw/zinc/98/66/04/598986604.db2.gz NXKCIBKKLIPBCQ-INIZCTEOSA-N -1 3 369.812 3.163 20 0 FGADHM CC[C@@H]1CCCCN1C(=O)[C@@H](C)Sc1ccc(-c2nnn[n-]2)cc1F ZINC000736399661 599063537 /nfs/dbraw/zinc/06/35/37/599063537.db2.gz JOSCKZFBTJIUHR-DGCLKSJQSA-N -1 3 363.462 3.278 20 0 FGADHM CC[C@@H]1CCCCN1C(=O)[C@@H](C)Sc1ccc(-c2nn[n-]n2)cc1F ZINC000736399661 599063540 /nfs/dbraw/zinc/06/35/40/599063540.db2.gz JOSCKZFBTJIUHR-DGCLKSJQSA-N -1 3 363.462 3.278 20 0 FGADHM Cc1ccnc(-c2cccc(NCCOc3ccc(-c4nn[n-]n4)cc3)c2)n1 ZINC000737437927 599066265 /nfs/dbraw/zinc/06/62/65/599066265.db2.gz UTIWRYBIQRNYDH-UHFFFAOYSA-N -1 3 373.420 3.123 20 0 FGADHM Fc1cc(-c2nnn[n-]2)ccc1SCc1ccn(-c2ccccc2)n1 ZINC000737643827 599066371 /nfs/dbraw/zinc/06/63/71/599066371.db2.gz GFJUQYOQWFZIBC-UHFFFAOYSA-N -1 3 352.398 3.484 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1SCc1ccn(-c2ccccc2)n1 ZINC000737643827 599066375 /nfs/dbraw/zinc/06/63/75/599066375.db2.gz GFJUQYOQWFZIBC-UHFFFAOYSA-N -1 3 352.398 3.484 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)[C@H]1C[C@H]1c1cccc(F)c1F ZINC000738161505 599076237 /nfs/dbraw/zinc/07/62/37/599076237.db2.gz FAEWWDGHSYIFPC-QWRGUYRKSA-N -1 3 359.311 3.026 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)[C@H]1C[C@H]1c1cccc(F)c1F ZINC000738161505 599076239 /nfs/dbraw/zinc/07/62/39/599076239.db2.gz FAEWWDGHSYIFPC-QWRGUYRKSA-N -1 3 359.311 3.026 20 0 FGADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@H](C)C1CCCCC1 ZINC000735733928 599079081 /nfs/dbraw/zinc/07/90/81/599079081.db2.gz DDBUXCOEQBYMBF-RDTXWAMCSA-N -1 3 371.485 3.355 20 0 FGADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@H](C)C1CCCCC1 ZINC000735733928 599079083 /nfs/dbraw/zinc/07/90/83/599079083.db2.gz DDBUXCOEQBYMBF-RDTXWAMCSA-N -1 3 371.485 3.355 20 0 FGADHM CCc1ccc([C@@H]2CCCCN2C(=O)Cc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000736689415 599085427 /nfs/dbraw/zinc/08/54/27/599085427.db2.gz WOMCRGHVAGRURB-KRWDZBQOSA-N -1 3 365.437 3.318 20 0 FGADHM CCc1ccc([C@@H]2CCCCN2C(=O)Cc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000736689415 599085430 /nfs/dbraw/zinc/08/54/30/599085430.db2.gz WOMCRGHVAGRURB-KRWDZBQOSA-N -1 3 365.437 3.318 20 0 FGADHM CO[C@@H](CNc1nc(C)cc(C)c1-c1nnn[n-]1)c1cccc(Cl)c1 ZINC000821677997 599090326 /nfs/dbraw/zinc/09/03/26/599090326.db2.gz HZFYENTUBMUPJS-AWEZNQCLSA-N -1 3 358.833 3.332 20 0 FGADHM CO[C@@H](CNc1nc(C)cc(C)c1-c1nn[n-]n1)c1cccc(Cl)c1 ZINC000821677997 599090329 /nfs/dbraw/zinc/09/03/29/599090329.db2.gz HZFYENTUBMUPJS-AWEZNQCLSA-N -1 3 358.833 3.332 20 0 FGADHM C[C@@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)c1cccc(-n2ccnc2)c1 ZINC000820461933 599094556 /nfs/dbraw/zinc/09/45/56/599094556.db2.gz SXUSGEZXQHBAFT-LLVKDONJSA-N -1 3 366.816 3.274 20 0 FGADHM C[C@@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)c1cccc(-n2ccnc2)c1 ZINC000820461933 599094559 /nfs/dbraw/zinc/09/45/59/599094559.db2.gz SXUSGEZXQHBAFT-LLVKDONJSA-N -1 3 366.816 3.274 20 0 FGADHM CC[C@H]1CN(c2c(-c3nnn[n-]3)cnc3c(C)cc(F)cc32)CCS1 ZINC000820995358 599101844 /nfs/dbraw/zinc/10/18/44/599101844.db2.gz QGOIBOPSLKOHDD-LBPRGKRZSA-N -1 3 358.446 3.194 20 0 FGADHM CC[C@H]1CN(c2c(-c3nn[n-]n3)cnc3c(C)cc(F)cc32)CCS1 ZINC000820995358 599101846 /nfs/dbraw/zinc/10/18/46/599101846.db2.gz QGOIBOPSLKOHDD-LBPRGKRZSA-N -1 3 358.446 3.194 20 0 FGADHM COCCN(C(=O)CCC1CCCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736988802 599113554 /nfs/dbraw/zinc/11/35/54/599113554.db2.gz ORCOAKRVRAOAPX-UHFFFAOYSA-N -1 3 357.458 3.207 20 0 FGADHM COCCN(C(=O)CCC1CCCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736988802 599113557 /nfs/dbraw/zinc/11/35/57/599113557.db2.gz ORCOAKRVRAOAPX-UHFFFAOYSA-N -1 3 357.458 3.207 20 0 FGADHM COCCN(C(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736988814 599115877 /nfs/dbraw/zinc/11/58/77/599115877.db2.gz OSBXYNLOVRRVLI-SJORKVTESA-N -1 3 369.469 3.085 20 0 FGADHM COCCN(C(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736988814 599115880 /nfs/dbraw/zinc/11/58/80/599115880.db2.gz OSBXYNLOVRRVLI-SJORKVTESA-N -1 3 369.469 3.085 20 0 FGADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N(C)Cc1ccc2c(c1)OCO2 ZINC000737408245 599121885 /nfs/dbraw/zinc/12/18/85/599121885.db2.gz INAWQCHWMSGIRH-UHFFFAOYSA-N -1 3 374.404 3.088 20 0 FGADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N(C)Cc1ccc2c(c1)OCO2 ZINC000737408245 599121886 /nfs/dbraw/zinc/12/18/86/599121886.db2.gz INAWQCHWMSGIRH-UHFFFAOYSA-N -1 3 374.404 3.088 20 0 FGADHM O=C(CC1CCC1)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000822940757 599142860 /nfs/dbraw/zinc/14/28/60/599142860.db2.gz DAJDNUQWRPSQAN-UHFFFAOYSA-N -1 3 350.382 3.183 20 0 FGADHM O=C(C[C@@H]1CCc2ccccc21)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737820340 599146004 /nfs/dbraw/zinc/14/60/04/599146004.db2.gz QTVCEWSFRSZVAD-ZDUSSCGKSA-N -1 3 352.369 3.169 20 0 FGADHM O=C(C[C@@H]1CCc2ccccc21)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737820340 599146005 /nfs/dbraw/zinc/14/60/05/599146005.db2.gz QTVCEWSFRSZVAD-ZDUSSCGKSA-N -1 3 352.369 3.169 20 0 FGADHM CC[C@H](C)OC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000736327293 599151441 /nfs/dbraw/zinc/15/14/41/599151441.db2.gz QGQGLHCMNKDCAM-ZDUSSCGKSA-N -1 3 352.394 3.401 20 0 FGADHM CC[C@H](C)OC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000736327293 599151443 /nfs/dbraw/zinc/15/14/43/599151443.db2.gz QGQGLHCMNKDCAM-ZDUSSCGKSA-N -1 3 352.394 3.401 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(OC2CCC2)cc1 ZINC000823337304 599152733 /nfs/dbraw/zinc/15/27/33/599152733.db2.gz KGQGJXUATFWNBP-UHFFFAOYSA-N -1 3 353.357 3.189 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(OC2CCC2)cc1 ZINC000823337304 599152736 /nfs/dbraw/zinc/15/27/36/599152736.db2.gz KGQGJXUATFWNBP-UHFFFAOYSA-N -1 3 353.357 3.189 20 0 FGADHM Fc1ccc(OCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)cc1Cl ZINC000737656851 599159892 /nfs/dbraw/zinc/15/98/92/599159892.db2.gz PTXJVFAKPLTTII-UHFFFAOYSA-N -1 3 372.747 3.288 20 0 FGADHM Fc1ccc(OCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)cc1Cl ZINC000737656851 599159894 /nfs/dbraw/zinc/15/98/94/599159894.db2.gz PTXJVFAKPLTTII-UHFFFAOYSA-N -1 3 372.747 3.288 20 0 FGADHM Cc1ccccc1[C@@H](C)CC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737425150 599161251 /nfs/dbraw/zinc/16/12/51/599161251.db2.gz ZJBQHFKQYAOFTL-ZDUSSCGKSA-N -1 3 353.401 3.124 20 0 FGADHM Cc1ccccc1[C@@H](C)CC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737425150 599161253 /nfs/dbraw/zinc/16/12/53/599161253.db2.gz ZJBQHFKQYAOFTL-ZDUSSCGKSA-N -1 3 353.401 3.124 20 0 FGADHM CC[C@@H](Sc1ccccc1)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000820937793 599163476 /nfs/dbraw/zinc/16/34/76/599163476.db2.gz DBOYOTYALYROKX-MRXNPFEDSA-N -1 3 371.441 3.193 20 0 FGADHM CC[C@@H](Sc1ccccc1)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000820937793 599163477 /nfs/dbraw/zinc/16/34/77/599163477.db2.gz DBOYOTYALYROKX-MRXNPFEDSA-N -1 3 371.441 3.193 20 0 FGADHM C[C@H]1C[C@@H](CC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)CC(C)(C)C1 ZINC000820659444 599165443 /nfs/dbraw/zinc/16/54/43/599165443.db2.gz XHCODQVTTVUPEC-STQMWFEESA-N -1 3 359.449 3.475 20 0 FGADHM C[C@H]1C[C@@H](CC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)CC(C)(C)C1 ZINC000820659444 599165445 /nfs/dbraw/zinc/16/54/45/599165445.db2.gz XHCODQVTTVUPEC-STQMWFEESA-N -1 3 359.449 3.475 20 0 FGADHM C[C@@H](NC(=O)CSc1ccc(-c2nnn[n-]2)cc1F)c1cccs1 ZINC000736110295 599168669 /nfs/dbraw/zinc/16/86/69/599168669.db2.gz HWHDOPPLKWFVRL-SECBINFHSA-N -1 3 363.443 3.037 20 0 FGADHM C[C@@H](NC(=O)CSc1ccc(-c2nn[n-]n2)cc1F)c1cccs1 ZINC000736110295 599168670 /nfs/dbraw/zinc/16/86/70/599168670.db2.gz HWHDOPPLKWFVRL-SECBINFHSA-N -1 3 363.443 3.037 20 0 FGADHM CC(C)(C(=O)NCc1cc(-c2nnn[n-]2)ccc1F)c1ccc(Cl)cc1 ZINC000819892044 599171072 /nfs/dbraw/zinc/17/10/72/599171072.db2.gz RJIQAVIXYKJLCN-UHFFFAOYSA-N -1 3 373.819 3.253 20 0 FGADHM CC(C)(C(=O)NCc1cc(-c2nn[n-]n2)ccc1F)c1ccc(Cl)cc1 ZINC000819892044 599171075 /nfs/dbraw/zinc/17/10/75/599171075.db2.gz RJIQAVIXYKJLCN-UHFFFAOYSA-N -1 3 373.819 3.253 20 0 FGADHM C[C@@H]1CCc2sc(C(=O)NCc3cc(-c4nnn[n-]4)ccc3F)cc2C1 ZINC000820733703 599180727 /nfs/dbraw/zinc/18/07/27/599180727.db2.gz IKMMDZXKTRHNFR-SNVBAGLBSA-N -1 3 371.441 3.122 20 0 FGADHM C[C@@H]1CCc2sc(C(=O)NCc3cc(-c4nn[n-]n4)ccc3F)cc2C1 ZINC000820733703 599180728 /nfs/dbraw/zinc/18/07/28/599180728.db2.gz IKMMDZXKTRHNFR-SNVBAGLBSA-N -1 3 371.441 3.122 20 0 FGADHM CCc1ccc([C@H](C)CC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000821477116 599183607 /nfs/dbraw/zinc/18/36/07/599183607.db2.gz ZAQPKZKRSUJVCR-CYBMUJFWSA-N -1 3 367.428 3.378 20 0 FGADHM CCc1ccc([C@H](C)CC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000821477116 599183609 /nfs/dbraw/zinc/18/36/09/599183609.db2.gz ZAQPKZKRSUJVCR-CYBMUJFWSA-N -1 3 367.428 3.378 20 0 FGADHM C[C@H](CC(=O)OCc1ccc(-c2nnn[n-]2)cc1F)c1cccc(F)c1 ZINC000735977485 599184589 /nfs/dbraw/zinc/18/45/89/599184589.db2.gz PDVJXLLLSSYXJB-LLVKDONJSA-N -1 3 358.348 3.382 20 0 FGADHM C[C@H](CC(=O)OCc1ccc(-c2nn[n-]n2)cc1F)c1cccc(F)c1 ZINC000735977485 599184590 /nfs/dbraw/zinc/18/45/90/599184590.db2.gz PDVJXLLLSSYXJB-LLVKDONJSA-N -1 3 358.348 3.382 20 0 FGADHM CCCc1ncc(C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)s1 ZINC000736495541 599184716 /nfs/dbraw/zinc/18/47/16/599184716.db2.gz OBQKHUDNZZCLEC-UHFFFAOYSA-N -1 3 359.459 3.085 20 0 FGADHM CCCc1ncc(C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)s1 ZINC000736495541 599184718 /nfs/dbraw/zinc/18/47/18/599184718.db2.gz OBQKHUDNZZCLEC-UHFFFAOYSA-N -1 3 359.459 3.085 20 0 FGADHM C[C@H](CC(=O)OCCOc1ccc(-c2nn[n-]n2)cc1)c1cccc(F)c1 ZINC000735975483 599184845 /nfs/dbraw/zinc/18/48/45/599184845.db2.gz HIZPRBZIPMDOBX-CYBMUJFWSA-N -1 3 370.384 3.122 20 0 FGADHM Cc1cc(NC(=O)COc2ccc(-c3nn[n-]n3)cc2)c2cccnc2c1C ZINC000822208226 599197936 /nfs/dbraw/zinc/19/79/36/599197936.db2.gz HIUMYRUTGXHWFR-UHFFFAOYSA-N -1 3 374.404 3.049 20 0 FGADHM C[C@@H]1CN(C(=O)c2sccc2-c2nnn[n-]2)CC[C@@H]1c1ccccc1 ZINC000736295148 599222937 /nfs/dbraw/zinc/22/29/37/599222937.db2.gz YURFZEGOSTYZPS-OCCSQVGLSA-N -1 3 353.451 3.194 20 0 FGADHM C[C@@H]1CN(C(=O)c2sccc2-c2nn[n-]n2)CC[C@@H]1c1ccccc1 ZINC000736295148 599222938 /nfs/dbraw/zinc/22/29/38/599222938.db2.gz YURFZEGOSTYZPS-OCCSQVGLSA-N -1 3 353.451 3.194 20 0 FGADHM COc1cccc(N2CCC[C@H](Nc3cccc(F)c3-c3nnn[n-]3)C2)c1 ZINC000737137225 599231217 /nfs/dbraw/zinc/23/12/17/599231217.db2.gz CGOAGHKHDDMWCQ-ZDUSSCGKSA-N -1 3 368.416 3.095 20 0 FGADHM COc1cccc(N2CCC[C@H](Nc3cccc(F)c3-c3nn[n-]n3)C2)c1 ZINC000737137225 599231220 /nfs/dbraw/zinc/23/12/20/599231220.db2.gz CGOAGHKHDDMWCQ-ZDUSSCGKSA-N -1 3 368.416 3.095 20 0 FGADHM O=C(Nc1ccc(Cl)c(Cl)c1)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000823331672 607262431 /nfs/dbraw/zinc/26/24/31/607262431.db2.gz HDZGRZMDJKCOQE-UHFFFAOYSA-N -1 3 369.599 3.474 20 0 FGADHM O=C(Nc1ccc(Cl)c(Cl)c1)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000823331672 607262432 /nfs/dbraw/zinc/26/24/32/607262432.db2.gz HDZGRZMDJKCOQE-UHFFFAOYSA-N -1 3 369.599 3.474 20 0 FGADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(NC[C@H]2CCc3ccccc3C2)n1 ZINC000737635634 599232451 /nfs/dbraw/zinc/23/24/51/599232451.db2.gz KCMCJESCGVKION-NSHDSACASA-N -1 3 374.370 3.498 20 0 FGADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(NC[C@H]2CCc3ccccc3C2)n1 ZINC000737635634 599232453 /nfs/dbraw/zinc/23/24/53/599232453.db2.gz KCMCJESCGVKION-NSHDSACASA-N -1 3 374.370 3.498 20 0 FGADHM Brc1ccc(NCCc2cccs2)c(-c2nnn[n-]2)c1 ZINC000735369864 599361081 /nfs/dbraw/zinc/36/10/81/599361081.db2.gz ZCVQRKGKLYFTQL-UHFFFAOYSA-N -1 3 350.245 3.345 20 0 FGADHM C[C@@H]1C[C@H](NC(=O)Nc2ccccc2CC(=O)[O-])CN1Cc1ccccc1 ZINC000398035695 596979727 /nfs/dbraw/zinc/97/97/27/596979727.db2.gz NAKFIOUDHNFGGX-QAPCUYQASA-N -1 3 367.449 3.098 20 0 FGADHM Brc1ccc(NCCc2cccs2)c(-c2nn[n-]n2)c1 ZINC000735369864 599361085 /nfs/dbraw/zinc/36/10/85/599361085.db2.gz ZCVQRKGKLYFTQL-UHFFFAOYSA-N -1 3 350.245 3.345 20 0 FGADHM CCC[C@](C)(O)C(=O)OCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000821009395 607265542 /nfs/dbraw/zinc/26/55/42/607265542.db2.gz QLSHMZWIDPGFFQ-FQEVSTJZSA-N -1 3 366.421 3.128 20 0 FGADHM CCC[C@](C)(O)C(=O)OCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000821009395 607265543 /nfs/dbraw/zinc/26/55/43/607265543.db2.gz QLSHMZWIDPGFFQ-FQEVSTJZSA-N -1 3 366.421 3.128 20 0 FGADHM CCc1ccc(C(=O)CCC(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1 ZINC000821476608 607266569 /nfs/dbraw/zinc/26/65/69/607266569.db2.gz QCWQFWFBCNNCLL-UHFFFAOYSA-N -1 3 363.421 3.339 20 0 FGADHM CCc1ccc(C(=O)CCC(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1 ZINC000821476608 607266570 /nfs/dbraw/zinc/26/65/70/607266570.db2.gz QCWQFWFBCNNCLL-UHFFFAOYSA-N -1 3 363.421 3.339 20 0 FGADHM Cc1c(NC(=O)C2CC(OCc3ccccc3)C2)cccc1-c1nnn[n-]1 ZINC000822061643 607267028 /nfs/dbraw/zinc/26/70/28/607267028.db2.gz SUGAPBFOXKVYQL-UHFFFAOYSA-N -1 3 363.421 3.109 20 0 FGADHM Cc1c(NC(=O)C2CC(OCc3ccccc3)C2)cccc1-c1nn[n-]n1 ZINC000822061643 607267029 /nfs/dbraw/zinc/26/70/29/607267029.db2.gz SUGAPBFOXKVYQL-UHFFFAOYSA-N -1 3 363.421 3.109 20 0 FGADHM C[C@@H](CNC(=O)Nc1ccc(-c2nnn[n-]2)cc1)Oc1cccc(Cl)c1 ZINC000820269126 599240405 /nfs/dbraw/zinc/24/04/05/599240405.db2.gz HPMHSINGKUPTKQ-NSHDSACASA-N -1 3 372.816 3.109 20 0 FGADHM C[C@@H](CNC(=O)Nc1ccc(-c2nn[n-]n2)cc1)Oc1cccc(Cl)c1 ZINC000820269126 599240407 /nfs/dbraw/zinc/24/04/07/599240407.db2.gz HPMHSINGKUPTKQ-NSHDSACASA-N -1 3 372.816 3.109 20 0 FGADHM Cc1ccc(OCCCC(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1 ZINC000822262629 607271168 /nfs/dbraw/zinc/27/11/68/607271168.db2.gz CDFXSOSZWHELNO-UHFFFAOYSA-N -1 3 351.410 3.281 20 0 FGADHM Cc1ccc(OCCCC(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1 ZINC000822262629 607271169 /nfs/dbraw/zinc/27/11/69/607271169.db2.gz CDFXSOSZWHELNO-UHFFFAOYSA-N -1 3 351.410 3.281 20 0 FGADHM Cc1ccccc1OCCCC(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000822366989 607271773 /nfs/dbraw/zinc/27/17/73/607271773.db2.gz YPXHCSCVYKURLG-UHFFFAOYSA-N -1 3 351.410 3.281 20 0 FGADHM Cc1ccccc1OCCCC(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000822366989 607271774 /nfs/dbraw/zinc/27/17/74/607271774.db2.gz YPXHCSCVYKURLG-UHFFFAOYSA-N -1 3 351.410 3.281 20 0 FGADHM CN(C(=O)Nc1cccc(CC(=O)[O-])c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000380615962 597133732 /nfs/dbraw/zinc/13/37/32/597133732.db2.gz IFFBJEWCJBVQFC-LJQANCHMSA-N -1 3 367.449 3.052 20 0 FGADHM CCc1cccc(CC)c1NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000821491957 599247412 /nfs/dbraw/zinc/24/74/12/599247412.db2.gz DVDIEAWMXYDTNI-UHFFFAOYSA-N -1 3 368.416 3.452 20 0 FGADHM CCc1cccc(CC)c1NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000821491957 599247413 /nfs/dbraw/zinc/24/74/13/599247413.db2.gz DVDIEAWMXYDTNI-UHFFFAOYSA-N -1 3 368.416 3.452 20 0 FGADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C=Cc1ccnc2ccccc12 ZINC000736814681 599248710 /nfs/dbraw/zinc/24/87/10/599248710.db2.gz RYVMXGVDARJYQS-KHPPLWFESA-N -1 3 370.416 3.087 20 0 FGADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C=Cc1ccnc2ccccc12 ZINC000736814681 599248712 /nfs/dbraw/zinc/24/87/12/599248712.db2.gz RYVMXGVDARJYQS-KHPPLWFESA-N -1 3 370.416 3.087 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C=Cc1ccnc2ccccc12 ZINC000737290744 599249209 /nfs/dbraw/zinc/24/92/09/599249209.db2.gz GAOGZCBRJUKMLO-CMDGGOBGSA-N -1 3 356.389 3.375 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C=Cc1ccnc2ccccc12 ZINC000737290744 599249212 /nfs/dbraw/zinc/24/92/12/599249212.db2.gz GAOGZCBRJUKMLO-CMDGGOBGSA-N -1 3 356.389 3.375 20 0 FGADHM CC[C@H](NC(=O)Nc1cccc(-c2nnn[n-]2)c1C)c1ccc(OC)cc1 ZINC000820920130 607280864 /nfs/dbraw/zinc/28/08/64/607280864.db2.gz LMYUKWGHUXTFGJ-INIZCTEOSA-N -1 3 366.425 3.457 20 0 FGADHM CC[C@H](NC(=O)Nc1cccc(-c2nn[n-]n2)c1C)c1ccc(OC)cc1 ZINC000820920130 607280865 /nfs/dbraw/zinc/28/08/65/607280865.db2.gz LMYUKWGHUXTFGJ-INIZCTEOSA-N -1 3 366.425 3.457 20 0 FGADHM CCN(CCc1cccs1)C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821213800 607282906 /nfs/dbraw/zinc/28/29/06/607282906.db2.gz FBQWWCWVCMIJFP-UHFFFAOYSA-N -1 3 356.455 3.333 20 0 FGADHM CCN(CCc1cccs1)C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821213800 607282907 /nfs/dbraw/zinc/28/29/07/607282907.db2.gz FBQWWCWVCMIJFP-UHFFFAOYSA-N -1 3 356.455 3.333 20 0 FGADHM Cc1c(NC(=O)NC[C@@H](C)c2ccc(F)cc2F)cccc1-c1nnn[n-]1 ZINC000822097557 607288428 /nfs/dbraw/zinc/28/84/28/607288428.db2.gz ZZDLYNWPGPDDSY-SNVBAGLBSA-N -1 3 372.379 3.379 20 0 FGADHM Cc1c(NC(=O)NC[C@@H](C)c2ccc(F)cc2F)cccc1-c1nn[n-]n1 ZINC000822097557 607288429 /nfs/dbraw/zinc/28/84/29/607288429.db2.gz ZZDLYNWPGPDDSY-SNVBAGLBSA-N -1 3 372.379 3.379 20 0 FGADHM Cc1c(NC(=O)N2CC[C@H](c3cccc(F)c3)C2)cccc1-c1nnn[n-]1 ZINC000822085364 607289085 /nfs/dbraw/zinc/28/90/85/607289085.db2.gz YKXPRBNVLNFIIY-AWEZNQCLSA-N -1 3 366.400 3.336 20 0 FGADHM Cc1c(NC(=O)N2CC[C@H](c3cccc(F)c3)C2)cccc1-c1nn[n-]n1 ZINC000822085364 607289086 /nfs/dbraw/zinc/28/90/86/607289086.db2.gz YKXPRBNVLNFIIY-AWEZNQCLSA-N -1 3 366.400 3.336 20 0 FGADHM Cc1ccc(CNc2c(-c3nnn[n-]3)cnc3c(F)ccc(F)c32)cc1 ZINC000737340706 599256499 /nfs/dbraw/zinc/25/64/99/599256499.db2.gz BPDYBQVMRVFURM-UHFFFAOYSA-N -1 3 352.348 3.036 20 0 FGADHM Cc1ccc(CNc2c(-c3nn[n-]n3)cnc3c(F)ccc(F)c32)cc1 ZINC000737340706 599256501 /nfs/dbraw/zinc/25/65/01/599256501.db2.gz BPDYBQVMRVFURM-UHFFFAOYSA-N -1 3 352.348 3.036 20 0 FGADHM Cc1c(NC(=O)NC(C)(C)c2ccc(F)cc2)cccc1-c1nnn[n-]1 ZINC000822089563 607284838 /nfs/dbraw/zinc/28/48/38/607284838.db2.gz FDLAAEVGSUTURC-UHFFFAOYSA-N -1 3 354.389 3.371 20 0 FGADHM Cc1c(NC(=O)NC(C)(C)c2ccc(F)cc2)cccc1-c1nn[n-]n1 ZINC000822089563 607284839 /nfs/dbraw/zinc/28/48/39/607284839.db2.gz FDLAAEVGSUTURC-UHFFFAOYSA-N -1 3 354.389 3.371 20 0 FGADHM CC[C@@](C)(NC(=O)Nc1cccc(-c2nnn[n-]2)c1C)c1nccs1 ZINC000820853111 607289658 /nfs/dbraw/zinc/28/96/58/607289658.db2.gz KPIBCTXITDKXPN-MRXNPFEDSA-N -1 3 357.443 3.079 20 0 FGADHM CC[C@@](C)(NC(=O)Nc1cccc(-c2nn[n-]n2)c1C)c1nccs1 ZINC000820853111 607289659 /nfs/dbraw/zinc/28/96/59/607289659.db2.gz KPIBCTXITDKXPN-MRXNPFEDSA-N -1 3 357.443 3.079 20 0 FGADHM Cc1c(NC(=O)N(C)CCc2ccc(F)cc2)cccc1-c1nnn[n-]1 ZINC000822075854 607292159 /nfs/dbraw/zinc/29/21/59/607292159.db2.gz JWHGUOCVNZKPDL-UHFFFAOYSA-N -1 3 354.389 3.021 20 0 FGADHM Cc1c(NC(=O)N(C)CCc2ccc(F)cc2)cccc1-c1nn[n-]n1 ZINC000822075854 607292160 /nfs/dbraw/zinc/29/21/60/607292160.db2.gz JWHGUOCVNZKPDL-UHFFFAOYSA-N -1 3 354.389 3.021 20 0 FGADHM C[C@H](CCc1ccco1)Nc1c(-c2nnn[n-]2)cnc2c(F)ccc(F)c21 ZINC000735993534 599258752 /nfs/dbraw/zinc/25/87/52/599258752.db2.gz TXTOLHOZIJTJGJ-SNVBAGLBSA-N -1 3 370.363 3.141 20 0 FGADHM C[C@H](CCc1ccco1)Nc1c(-c2nn[n-]n2)cnc2c(F)ccc(F)c21 ZINC000735993534 599258755 /nfs/dbraw/zinc/25/87/55/599258755.db2.gz TXTOLHOZIJTJGJ-SNVBAGLBSA-N -1 3 370.363 3.141 20 0 FGADHM CC[C@H](Oc1ccccc1F)C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000820938288 607296285 /nfs/dbraw/zinc/29/62/85/607296285.db2.gz IAPZVNHEXKEFOY-HNNXBMFYSA-N -1 3 355.373 3.110 20 0 FGADHM CC[C@H](Oc1ccccc1F)C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000820938288 607296286 /nfs/dbraw/zinc/29/62/86/607296286.db2.gz IAPZVNHEXKEFOY-HNNXBMFYSA-N -1 3 355.373 3.110 20 0 FGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)NCC(C1CC1)C1CC1 ZINC000820152052 599263791 /nfs/dbraw/zinc/26/37/91/599263791.db2.gz RYMVWNBGVPHGFY-UHFFFAOYSA-N -1 3 370.457 3.212 20 0 FGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)NCC(C1CC1)C1CC1 ZINC000820152052 599263793 /nfs/dbraw/zinc/26/37/93/599263793.db2.gz RYMVWNBGVPHGFY-UHFFFAOYSA-N -1 3 370.457 3.212 20 0 FGADHM CCc1ccccc1C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC000821492842 607311417 /nfs/dbraw/zinc/31/14/17/607311417.db2.gz XABUYEHZBIDRFP-UHFFFAOYSA-N -1 3 351.410 3.469 20 0 FGADHM CCc1ccccc1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC000821492842 607311418 /nfs/dbraw/zinc/31/14/18/607311418.db2.gz XABUYEHZBIDRFP-UHFFFAOYSA-N -1 3 351.410 3.469 20 0 FGADHM O=C(c1cccc(NCc2ccc(-c3nnn[n-]3)cc2)c1)N1CCCCC1 ZINC000823493441 607313853 /nfs/dbraw/zinc/31/38/53/607313853.db2.gz NLQQCNXWXJVAOK-UHFFFAOYSA-N -1 3 362.437 3.105 20 0 FGADHM O=C(c1cccc(NCc2ccc(-c3nn[n-]n3)cc2)c1)N1CCCCC1 ZINC000823493441 607313854 /nfs/dbraw/zinc/31/38/54/607313854.db2.gz NLQQCNXWXJVAOK-UHFFFAOYSA-N -1 3 362.437 3.105 20 0 FGADHM CCC(CC)n1nccc1C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000820903441 607303642 /nfs/dbraw/zinc/30/36/42/607303642.db2.gz UPHMVEPLOYFCHE-UHFFFAOYSA-N -1 3 371.470 3.227 20 0 FGADHM CCC(CC)n1nccc1C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000820903441 607303643 /nfs/dbraw/zinc/30/36/43/607303643.db2.gz UPHMVEPLOYFCHE-UHFFFAOYSA-N -1 3 371.470 3.227 20 0 FGADHM CC(C)OCc1ccccc1CNc1c(-c2nnn[n-]2)cnc2ccccc21 ZINC000735902982 599266779 /nfs/dbraw/zinc/26/67/79/599266779.db2.gz BVFBAWMSLVKTIL-UHFFFAOYSA-N -1 3 374.448 3.374 20 0 FGADHM CC(C)OCc1ccccc1CNc1c(-c2nn[n-]n2)cnc2ccccc21 ZINC000735902982 599266782 /nfs/dbraw/zinc/26/67/82/599266782.db2.gz BVFBAWMSLVKTIL-UHFFFAOYSA-N -1 3 374.448 3.374 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NC[C@H](C)Oc1ccccc1C ZINC000822220312 599273737 /nfs/dbraw/zinc/27/37/37/599273737.db2.gz LRANWASOXDRZIL-AWEZNQCLSA-N -1 3 366.425 3.073 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NC[C@H](C)Oc1ccccc1C ZINC000822220312 599273739 /nfs/dbraw/zinc/27/37/39/599273739.db2.gz LRANWASOXDRZIL-AWEZNQCLSA-N -1 3 366.425 3.073 20 0 FGADHM CCC(CC)n1ccc(C(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)n1 ZINC000820898208 607318065 /nfs/dbraw/zinc/31/80/65/607318065.db2.gz WKJKTARIDJZOBW-UHFFFAOYSA-N -1 3 373.848 3.354 20 0 FGADHM CCC(CC)n1ccc(C(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)n1 ZINC000820898208 607318066 /nfs/dbraw/zinc/31/80/66/607318066.db2.gz WKJKTARIDJZOBW-UHFFFAOYSA-N -1 3 373.848 3.354 20 0 FGADHM CC[C@H](Cc1ccccc1)N(C)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820913178 599278949 /nfs/dbraw/zinc/27/89/49/599278949.db2.gz DEMAUJYUDXIORQ-OAHLLOKOSA-N -1 3 368.416 3.491 20 0 FGADHM CC[C@H](Cc1ccccc1)N(C)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820913178 599278952 /nfs/dbraw/zinc/27/89/52/599278952.db2.gz DEMAUJYUDXIORQ-OAHLLOKOSA-N -1 3 368.416 3.491 20 0 FGADHM CSCc1cccc(NC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)c1 ZINC000821970478 599281938 /nfs/dbraw/zinc/28/19/38/599281938.db2.gz OJKPDRXXIJCAJR-UHFFFAOYSA-N -1 3 372.429 3.191 20 0 FGADHM CSCc1cccc(NC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC000821970478 599281941 /nfs/dbraw/zinc/28/19/41/599281941.db2.gz OJKPDRXXIJCAJR-UHFFFAOYSA-N -1 3 372.429 3.191 20 0 FGADHM CC[C@H](NC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C(C)C ZINC000820920465 599289341 /nfs/dbraw/zinc/28/93/41/599289341.db2.gz QCWONGXMFICTME-LBPRGKRZSA-N -1 3 356.352 3.442 20 0 FGADHM CC[C@H](NC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C(C)C ZINC000820920465 599289343 /nfs/dbraw/zinc/28/93/43/599289343.db2.gz QCWONGXMFICTME-LBPRGKRZSA-N -1 3 356.352 3.442 20 0 FGADHM CC(C)[C@@H](C)N(C)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820017166 599290887 /nfs/dbraw/zinc/29/08/87/599290887.db2.gz UFDSREXIVVCTIY-SECBINFHSA-N -1 3 356.352 3.394 20 0 FGADHM CC(C)[C@@H](C)N(C)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820017166 599290888 /nfs/dbraw/zinc/29/08/88/599290888.db2.gz UFDSREXIVVCTIY-SECBINFHSA-N -1 3 356.352 3.394 20 0 FGADHM Clc1ccc(-c2nnn[n-]2)c(N[C@H]2CCOC3(CCSCC3)C2)c1 ZINC000822568815 607331267 /nfs/dbraw/zinc/33/12/67/607331267.db2.gz XRFYXGSUWWVCOS-LBPRGKRZSA-N -1 3 365.890 3.377 20 0 FGADHM Clc1ccc(-c2nn[n-]n2)c(N[C@H]2CCOC3(CCSCC3)C2)c1 ZINC000822568815 607331268 /nfs/dbraw/zinc/33/12/68/607331268.db2.gz XRFYXGSUWWVCOS-LBPRGKRZSA-N -1 3 365.890 3.377 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1NCc1ccc(Br)s1 ZINC000737645302 598237347 /nfs/dbraw/zinc/23/73/47/598237347.db2.gz WRBRCSWOTIAZRV-UHFFFAOYSA-N -1 3 354.208 3.442 20 0 FGADHM CCC[C@H](C)CC(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736424356 598238090 /nfs/dbraw/zinc/23/80/90/598238090.db2.gz QPARNRCBMANNLJ-AWEZNQCLSA-N -1 3 357.458 3.063 20 0 FGADHM CCC[C@H](C)CC(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736424356 598238091 /nfs/dbraw/zinc/23/80/91/598238091.db2.gz QPARNRCBMANNLJ-AWEZNQCLSA-N -1 3 357.458 3.063 20 0 FGADHM O=C(c1ccc(-c2nnn[n-]2)cc1)N1CCCC[C@@H]1Cc1ccc(F)cc1 ZINC000738255526 598240408 /nfs/dbraw/zinc/24/04/08/598240408.db2.gz UXAOXPSLKMOUSX-GOSISDBHSA-N -1 3 365.412 3.243 20 0 FGADHM O=C(c1ccc(-c2nn[n-]n2)cc1)N1CCCC[C@@H]1Cc1ccc(F)cc1 ZINC000738255526 598240409 /nfs/dbraw/zinc/24/04/09/598240409.db2.gz UXAOXPSLKMOUSX-GOSISDBHSA-N -1 3 365.412 3.243 20 0 FGADHM Cc1c(Cl)cccc1NC(=O)CCNc1ccc(-c2nn[n-]n2)cc1 ZINC000737215302 598244253 /nfs/dbraw/zinc/24/42/53/598244253.db2.gz GUDSKLUDBNXQEA-UHFFFAOYSA-N -1 3 356.817 3.269 20 0 FGADHM CC[C@H](SCC(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000736393297 598272890 /nfs/dbraw/zinc/27/28/90/598272890.db2.gz WEJLYMJWLSKBJV-KRWDZBQOSA-N -1 3 367.478 3.367 20 0 FGADHM CC[C@H](SCC(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000736393297 598272893 /nfs/dbraw/zinc/27/28/93/598272893.db2.gz WEJLYMJWLSKBJV-KRWDZBQOSA-N -1 3 367.478 3.367 20 0 FGADHM CC[C@@H](SCC(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000736393298 598273219 /nfs/dbraw/zinc/27/32/19/598273219.db2.gz WEJLYMJWLSKBJV-QGZVFWFLSA-N -1 3 367.478 3.367 20 0 FGADHM CC[C@@H](SCC(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000736393298 598273220 /nfs/dbraw/zinc/27/32/20/598273220.db2.gz WEJLYMJWLSKBJV-QGZVFWFLSA-N -1 3 367.478 3.367 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1sccc1OC(F)F ZINC000738150671 598278152 /nfs/dbraw/zinc/27/81/52/598278152.db2.gz BHGYJLKHMRSNCW-UHFFFAOYSA-N -1 3 371.756 3.435 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1sccc1OC(F)F ZINC000738150671 598278154 /nfs/dbraw/zinc/27/81/54/598278154.db2.gz BHGYJLKHMRSNCW-UHFFFAOYSA-N -1 3 371.756 3.435 20 0 FGADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1cccc(C(F)F)c1 ZINC000736820059 598292371 /nfs/dbraw/zinc/29/23/71/598292371.db2.gz KDAFEPRMQLSQOM-UHFFFAOYSA-N -1 3 358.352 3.468 20 0 FGADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1cccc(C(F)F)c1 ZINC000736820059 598292373 /nfs/dbraw/zinc/29/23/73/598292373.db2.gz KDAFEPRMQLSQOM-UHFFFAOYSA-N -1 3 358.352 3.468 20 0 FGADHM O[C@H](COc1ccc(-c2nn[n-]n2)cc1)CSc1cccc(Cl)c1 ZINC000738388036 598294628 /nfs/dbraw/zinc/29/46/28/598294628.db2.gz RTRWDXYWFIVTHI-CYBMUJFWSA-N -1 3 362.842 3.052 20 0 FGADHM CCCC[C@@H](CC)CNC(=S)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000736437713 598295568 /nfs/dbraw/zinc/29/55/68/598295568.db2.gz KIINIVYMZQSOEF-GFCCVEGCSA-N -1 3 364.494 3.186 20 0 FGADHM CCCC[C@@H](CC)CNC(=S)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000736437713 598295570 /nfs/dbraw/zinc/29/55/70/598295570.db2.gz KIINIVYMZQSOEF-GFCCVEGCSA-N -1 3 364.494 3.186 20 0 FGADHM CCc1ccccc1NC(=S)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000736701881 598296203 /nfs/dbraw/zinc/29/62/03/598296203.db2.gz KCGWAIPFCNDYNN-UHFFFAOYSA-N -1 3 356.430 3.055 20 0 FGADHM CCc1ccccc1NC(=S)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000736701881 598296205 /nfs/dbraw/zinc/29/62/05/598296205.db2.gz KCGWAIPFCNDYNN-UHFFFAOYSA-N -1 3 356.430 3.055 20 0 FGADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCC2)C1(C(F)(F)F)CC1 ZINC000738206901 598296815 /nfs/dbraw/zinc/29/68/15/598296815.db2.gz HWQSCOAUGFFYEP-UHFFFAOYSA-N -1 3 357.361 3.088 20 0 FGADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCC2)C1(C(F)(F)F)CC1 ZINC000738206901 598296816 /nfs/dbraw/zinc/29/68/16/598296816.db2.gz HWQSCOAUGFFYEP-UHFFFAOYSA-N -1 3 357.361 3.088 20 0 FGADHM CC(C)Sc1ccc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000735921729 598299392 /nfs/dbraw/zinc/29/93/92/598299392.db2.gz ZJRLJHFXKHKEMU-UHFFFAOYSA-N -1 3 371.441 3.436 20 0 FGADHM CC(C)Sc1ccc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000735921729 598299393 /nfs/dbraw/zinc/29/93/93/598299393.db2.gz ZJRLJHFXKHKEMU-UHFFFAOYSA-N -1 3 371.441 3.436 20 0 FGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)[C@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000738099413 598299724 /nfs/dbraw/zinc/29/97/24/598299724.db2.gz DTEWSRRSVYDFIY-CABCVRRESA-N -1 3 371.803 3.079 20 0 FGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)[C@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000738099413 598299726 /nfs/dbraw/zinc/29/97/26/598299726.db2.gz DTEWSRRSVYDFIY-CABCVRRESA-N -1 3 371.803 3.079 20 0 FGADHM CCSCc1ccc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000736665954 598300516 /nfs/dbraw/zinc/30/05/16/598300516.db2.gz JRMNQJPRLNENGB-UHFFFAOYSA-N -1 3 371.441 3.189 20 0 FGADHM CCSCc1ccc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000736665954 598300518 /nfs/dbraw/zinc/30/05/18/598300518.db2.gz JRMNQJPRLNENGB-UHFFFAOYSA-N -1 3 371.441 3.189 20 0 FGADHM CCC/C(C)=C\C(=O)OCCOc1c(-c2nnn[n-]2)cnc2ccccc21 ZINC000736418401 598307287 /nfs/dbraw/zinc/30/72/87/598307287.db2.gz DNVBEGCRJBQXCW-QBFSEMIESA-N -1 3 367.409 3.083 20 0 FGADHM CCC/C(C)=C\C(=O)OCCOc1c(-c2nn[n-]n2)cnc2ccccc21 ZINC000736418401 598307289 /nfs/dbraw/zinc/30/72/89/598307289.db2.gz DNVBEGCRJBQXCW-QBFSEMIESA-N -1 3 367.409 3.083 20 0 FGADHM CN(C(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1)C1CC1 ZINC000736740604 598307476 /nfs/dbraw/zinc/30/74/76/598307476.db2.gz CGJOEGUSDNUIOJ-UHFFFAOYSA-N -1 3 351.435 3.252 20 0 FGADHM CN(C(=O)c1ccccc1Sc1ccccc1-c1nn[n-]n1)C1CC1 ZINC000736740604 598307477 /nfs/dbraw/zinc/30/74/77/598307477.db2.gz CGJOEGUSDNUIOJ-UHFFFAOYSA-N -1 3 351.435 3.252 20 0 FGADHM CCCCOc1ccc(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000736463883 598309288 /nfs/dbraw/zinc/30/92/88/598309288.db2.gz RXEZIYLPOOFAMS-UHFFFAOYSA-N -1 3 369.400 3.461 20 0 FGADHM CCCCOc1ccc(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000736463883 598309290 /nfs/dbraw/zinc/30/92/90/598309290.db2.gz RXEZIYLPOOFAMS-UHFFFAOYSA-N -1 3 369.400 3.461 20 0 FGADHM CN(C(=O)c1cc(F)c(F)cc1Cl)c1ccc(-c2nnn[n-]2)cc1F ZINC000736748632 598309995 /nfs/dbraw/zinc/30/99/95/598309995.db2.gz JBUXNFKMRMJXGJ-UHFFFAOYSA-N -1 3 367.718 3.214 20 0 FGADHM CN(C(=O)c1cc(F)c(F)cc1Cl)c1ccc(-c2nn[n-]n2)cc1F ZINC000736748632 598309997 /nfs/dbraw/zinc/30/99/97/598309997.db2.gz JBUXNFKMRMJXGJ-UHFFFAOYSA-N -1 3 367.718 3.214 20 0 FGADHM S=C(Nc1ccc2c(c1)OCO2)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000738406905 598316280 /nfs/dbraw/zinc/31/62/80/598316280.db2.gz DSJAQCGTUGXSEP-UHFFFAOYSA-N -1 3 374.813 3.058 20 0 FGADHM S=C(Nc1ccc2c(c1)OCO2)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000738406905 598316282 /nfs/dbraw/zinc/31/62/82/598316282.db2.gz DSJAQCGTUGXSEP-UHFFFAOYSA-N -1 3 374.813 3.058 20 0 FGADHM C[C@H]1CCCC[C@H]1NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736273066 598317012 /nfs/dbraw/zinc/31/70/12/598317012.db2.gz QXGUZIMOPNKUJI-TVQRCGJNSA-N -1 3 350.879 3.385 20 0 FGADHM C[C@H]1CCCC[C@H]1NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736273066 598317014 /nfs/dbraw/zinc/31/70/14/598317014.db2.gz QXGUZIMOPNKUJI-TVQRCGJNSA-N -1 3 350.879 3.385 20 0 FGADHM S=C(Nc1ccc2c(c1)CCO2)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000738408467 598319569 /nfs/dbraw/zinc/31/95/69/598319569.db2.gz LOFDCIPDRCURKH-UHFFFAOYSA-N -1 3 372.841 3.264 20 0 FGADHM S=C(Nc1ccc2c(c1)CCO2)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000738408467 598319570 /nfs/dbraw/zinc/31/95/70/598319570.db2.gz LOFDCIPDRCURKH-UHFFFAOYSA-N -1 3 372.841 3.264 20 0 FGADHM CC(C)CC[C@H]1CCC[C@H]1NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000735797385 598320407 /nfs/dbraw/zinc/32/04/07/598320407.db2.gz OHFPOIYYCWLWAG-CXAGYDPISA-N -1 3 374.464 3.410 20 0 FGADHM CC(C)CC[C@H]1CCC[C@H]1NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000735797385 598320409 /nfs/dbraw/zinc/32/04/09/598320409.db2.gz OHFPOIYYCWLWAG-CXAGYDPISA-N -1 3 374.464 3.410 20 0 FGADHM C[C@H](NC(=S)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)c1cccs1 ZINC000736125213 598322038 /nfs/dbraw/zinc/32/20/38/598322038.db2.gz IZTHPDDGPDVNAQ-QWRGUYRKSA-N -1 3 358.496 3.215 20 0 FGADHM C[C@H](NC(=S)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)c1cccs1 ZINC000736125213 598322039 /nfs/dbraw/zinc/32/20/39/598322039.db2.gz IZTHPDDGPDVNAQ-QWRGUYRKSA-N -1 3 358.496 3.215 20 0 FGADHM O=C(Nc1ccccc1)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000738192474 598324655 /nfs/dbraw/zinc/32/46/55/598324655.db2.gz QWLDHMHYYDMXKR-UHFFFAOYSA-N -1 3 361.361 3.291 20 0 FGADHM O=C(Nc1ccccc1)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000738192474 598324656 /nfs/dbraw/zinc/32/46/56/598324656.db2.gz QWLDHMHYYDMXKR-UHFFFAOYSA-N -1 3 361.361 3.291 20 0 FGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)Nc1cccc(C(F)F)c1 ZINC000738101241 598324810 /nfs/dbraw/zinc/32/48/10/598324810.db2.gz UZNRYWJYMQVNBO-UHFFFAOYSA-N -1 3 362.315 3.265 20 0 FGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)Nc1cccc(C(F)F)c1 ZINC000738101241 598324811 /nfs/dbraw/zinc/32/48/11/598324811.db2.gz UZNRYWJYMQVNBO-UHFFFAOYSA-N -1 3 362.315 3.265 20 0 FGADHM Cc1ccc(Cl)cc1N1CC[C@H](CNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC000737342487 598353422 /nfs/dbraw/zinc/35/34/22/598353422.db2.gz FOCLSHLBAWFCGB-CYBMUJFWSA-N -1 3 369.860 3.162 20 0 FGADHM Cc1ccc(Cl)cc1N1CC[C@H](CNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC000737342487 598353425 /nfs/dbraw/zinc/35/34/25/598353425.db2.gz FOCLSHLBAWFCGB-CYBMUJFWSA-N -1 3 369.860 3.162 20 0 FGADHM Clc1cc(-c2nnn[n-]2)cnc1N1CCC[C@H](Cc2ccccc2)C1 ZINC000737564595 598363059 /nfs/dbraw/zinc/36/30/59/598363059.db2.gz RJPXSECMLKPLOC-CQSZACIVSA-N -1 3 354.845 3.374 20 0 FGADHM Clc1cc(-c2nn[n-]n2)cnc1N1CCC[C@H](Cc2ccccc2)C1 ZINC000737564595 598363062 /nfs/dbraw/zinc/36/30/62/598363062.db2.gz RJPXSECMLKPLOC-CQSZACIVSA-N -1 3 354.845 3.374 20 0 FGADHM Clc1cc(-c2nn[n-]n2)cnc1NC[C@H](c1ccco1)N1CCCCC1 ZINC000737557660 598387009 /nfs/dbraw/zinc/38/70/09/598387009.db2.gz GVIUOOCZLVCAQT-CQSZACIVSA-N -1 3 373.848 3.147 20 0 FGADHM C[C@@H](NC(=O)N1CCc2ccccc2[C@H]1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736114615 598390691 /nfs/dbraw/zinc/39/06/91/598390691.db2.gz UYGPSILJCAYCAV-ZIAGYGMSSA-N -1 3 362.437 3.257 20 0 FGADHM C[C@@H](NC(=O)N1CCc2ccccc2[C@H]1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736114615 598390692 /nfs/dbraw/zinc/39/06/92/598390692.db2.gz UYGPSILJCAYCAV-ZIAGYGMSSA-N -1 3 362.437 3.257 20 0 FGADHM Clc1cc(-c2nnn[n-]2)cnc1NC[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000737557475 598392866 /nfs/dbraw/zinc/39/28/66/598392866.db2.gz FFTJXXWNFCLYMW-CZUORRHYSA-N -1 3 370.844 3.495 20 0 FGADHM Clc1cc(-c2nn[n-]n2)cnc1NC[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000737557475 598392867 /nfs/dbraw/zinc/39/28/67/598392867.db2.gz FFTJXXWNFCLYMW-CZUORRHYSA-N -1 3 370.844 3.495 20 0 FGADHM Fc1ccc2c(CCNc3ncc(-c4nnn[n-]4)cc3Cl)c[nH]c2c1 ZINC000737667236 598394091 /nfs/dbraw/zinc/39/40/91/598394091.db2.gz OCWXNVVSMIKCOQ-UHFFFAOYSA-N -1 3 357.780 3.190 20 0 FGADHM Fc1ccc2c(CCNc3ncc(-c4nn[n-]n4)cc3Cl)c[nH]c2c1 ZINC000737667236 598394093 /nfs/dbraw/zinc/39/40/93/598394093.db2.gz OCWXNVVSMIKCOQ-UHFFFAOYSA-N -1 3 357.780 3.190 20 0 FGADHM CC(C)(C)c1ccccc1NC(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC000735652098 598415075 /nfs/dbraw/zinc/41/50/75/598415075.db2.gz AEEDVZYMKIFZBG-UHFFFAOYSA-N -1 3 350.426 3.215 20 0 FGADHM CC(C)C[C@H](NC(=O)CNc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000735782354 598415385 /nfs/dbraw/zinc/41/53/85/598415385.db2.gz HSOCDOZMFIMLHR-SFHVURJKSA-N -1 3 364.453 3.182 20 0 FGADHM CSc1ccsc1C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000737190957 598419711 /nfs/dbraw/zinc/41/97/11/598419711.db2.gz KKIAMHFEEIDSSC-UHFFFAOYSA-N -1 3 363.493 3.453 20 0 FGADHM CSc1ccsc1C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000737190957 598419713 /nfs/dbraw/zinc/41/97/13/598419713.db2.gz KKIAMHFEEIDSSC-UHFFFAOYSA-N -1 3 363.493 3.453 20 0 FGADHM Fc1cccc(NCCCc2nc3c(s2)CCCC3)c1-c1nnn[n-]1 ZINC000737664833 598422366 /nfs/dbraw/zinc/42/23/66/598422366.db2.gz OVEIEWDMJOOSNU-UHFFFAOYSA-N -1 3 358.446 3.386 20 0 FGADHM Fc1cccc(NCCCc2nc3c(s2)CCCC3)c1-c1nn[n-]n1 ZINC000737664833 598422368 /nfs/dbraw/zinc/42/23/68/598422368.db2.gz OVEIEWDMJOOSNU-UHFFFAOYSA-N -1 3 358.446 3.386 20 0 FGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1cccc(F)c1 ZINC000735873639 598427305 /nfs/dbraw/zinc/42/73/05/598427305.db2.gz JHTGDQWHIWXGRT-UHFFFAOYSA-N -1 3 368.416 3.126 20 0 FGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1cccc(F)c1 ZINC000735873639 598427307 /nfs/dbraw/zinc/42/73/07/598427307.db2.gz JHTGDQWHIWXGRT-UHFFFAOYSA-N -1 3 368.416 3.126 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N1CC[C@@H](c2ccccc2F)C1 ZINC000738151040 598429092 /nfs/dbraw/zinc/42/90/92/598429092.db2.gz FPNCZOADDURXQZ-CYBMUJFWSA-N -1 3 352.373 3.027 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N1CC[C@@H](c2ccccc2F)C1 ZINC000738151040 598429094 /nfs/dbraw/zinc/42/90/94/598429094.db2.gz FPNCZOADDURXQZ-CYBMUJFWSA-N -1 3 352.373 3.027 20 0 FGADHM O=C(Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1)NC1CCC1 ZINC000738172530 598432175 /nfs/dbraw/zinc/43/21/75/598432175.db2.gz NQXUUEHBHSJUPM-UHFFFAOYSA-N -1 3 350.382 3.333 20 0 FGADHM O=C(Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)NC1CCC1 ZINC000738172530 598432176 /nfs/dbraw/zinc/43/21/76/598432176.db2.gz NQXUUEHBHSJUPM-UHFFFAOYSA-N -1 3 350.382 3.333 20 0 FGADHM Cc1csc(N(C(=O)c2ccc(-c3nnn[n-]3)cn2)c2ccccc2)n1 ZINC000737451460 598436781 /nfs/dbraw/zinc/43/67/81/598436781.db2.gz DJTSZJHUHAZYBQ-UHFFFAOYSA-N -1 3 363.406 3.005 20 0 FGADHM Cc1csc(N(C(=O)c2ccc(-c3nn[n-]n3)cn2)c2ccccc2)n1 ZINC000737451460 598436783 /nfs/dbraw/zinc/43/67/83/598436783.db2.gz DJTSZJHUHAZYBQ-UHFFFAOYSA-N -1 3 363.406 3.005 20 0 FGADHM CC(C)(C)C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC000735595145 598444131 /nfs/dbraw/zinc/44/41/31/598444131.db2.gz ZCDNBGANZASFNS-INIZCTEOSA-N -1 3 350.426 3.169 20 0 FGADHM CC(C)(C)C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC000735595145 598444133 /nfs/dbraw/zinc/44/41/33/598444133.db2.gz ZCDNBGANZASFNS-INIZCTEOSA-N -1 3 350.426 3.169 20 0 FGADHM O=C(Nc1ccc(-n2cccn2)c(Cl)c1)c1sccc1-c1nnn[n-]1 ZINC000738151731 598446382 /nfs/dbraw/zinc/44/63/82/598446382.db2.gz WOLWVFCDMJPXCX-UHFFFAOYSA-N -1 3 371.813 3.020 20 0 FGADHM O=C(Nc1ccc(-n2cccn2)c(Cl)c1)c1sccc1-c1nn[n-]n1 ZINC000738151731 598446384 /nfs/dbraw/zinc/44/63/84/598446384.db2.gz WOLWVFCDMJPXCX-UHFFFAOYSA-N -1 3 371.813 3.020 20 0 FGADHM COc1ccc2cc(NC(=O)C=Cc3ccccc3-c3nnn[n-]3)ccc2n1 ZINC000737120354 598447665 /nfs/dbraw/zinc/44/76/65/598447665.db2.gz MJLXHCCGRDKSMU-POHAHGRESA-N -1 3 372.388 3.075 20 0 FGADHM COc1ccc2cc(NC(=O)C=Cc3ccccc3-c3nn[n-]n3)ccc2n1 ZINC000737120354 598447666 /nfs/dbraw/zinc/44/76/66/598447666.db2.gz MJLXHCCGRDKSMU-POHAHGRESA-N -1 3 372.388 3.075 20 0 FGADHM O=C(N[C@@H](c1ccc(Cl)cc1)C1CCC1)c1ccc(-c2nnn[n-]2)cn1 ZINC000737995881 598454313 /nfs/dbraw/zinc/45/43/13/598454313.db2.gz FEKBJIIVGVXZTR-MRXNPFEDSA-N -1 3 368.828 3.186 20 0 FGADHM O=C(N[C@@H](c1ccc(Cl)cc1)C1CCC1)c1ccc(-c2nn[n-]n2)cn1 ZINC000737995881 598454316 /nfs/dbraw/zinc/45/43/16/598454316.db2.gz FEKBJIIVGVXZTR-MRXNPFEDSA-N -1 3 368.828 3.186 20 0 FGADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)N1CCC[C@@H](c2ccccc2)CC1 ZINC000737960442 598457035 /nfs/dbraw/zinc/45/70/35/598457035.db2.gz HEVKUCLIFXMUBV-GOSISDBHSA-N -1 3 361.449 3.206 20 0 FGADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)N1CCC[C@@H](c2ccccc2)CC1 ZINC000737960442 598457037 /nfs/dbraw/zinc/45/70/37/598457037.db2.gz HEVKUCLIFXMUBV-GOSISDBHSA-N -1 3 361.449 3.206 20 0 FGADHM O=C(N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1)N1CCc2ccccc21 ZINC000737995262 598475894 /nfs/dbraw/zinc/47/58/94/598475894.db2.gz IPQDIGMCSMRQNL-UHFFFAOYSA-N -1 3 360.421 3.014 20 0 FGADHM O=C(N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1)N1CCc2ccccc21 ZINC000737995262 598475896 /nfs/dbraw/zinc/47/58/96/598475896.db2.gz IPQDIGMCSMRQNL-UHFFFAOYSA-N -1 3 360.421 3.014 20 0 FGADHM C[C@H](NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1)c1cccs1 ZINC000736111674 598477593 /nfs/dbraw/zinc/47/75/93/598477593.db2.gz NIDLTGIPCMYCRA-LBPRGKRZSA-N -1 3 368.466 3.363 20 0 FGADHM C[C@H](NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1)c1cccs1 ZINC000736111674 598477595 /nfs/dbraw/zinc/47/75/95/598477595.db2.gz NIDLTGIPCMYCRA-LBPRGKRZSA-N -1 3 368.466 3.363 20 0 FGADHM C[C@@H](OC(=O)CCCOc1cccc(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000736147174 598482633 /nfs/dbraw/zinc/48/26/33/598482633.db2.gz BYUUEWFJMGAVIK-CYBMUJFWSA-N -1 3 370.384 3.469 20 0 FGADHM C[C@@H](OC(=O)CCCOc1cccc(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000736147174 598482635 /nfs/dbraw/zinc/48/26/35/598482635.db2.gz BYUUEWFJMGAVIK-CYBMUJFWSA-N -1 3 370.384 3.469 20 0 FGADHM CC[C@](C)(NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000736312315 598483758 /nfs/dbraw/zinc/48/37/58/598483758.db2.gz BHVMJGQVABNGBQ-IBGZPJMESA-N -1 3 368.416 3.130 20 0 FGADHM CC[C@](C)(NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000736312315 598483760 /nfs/dbraw/zinc/48/37/60/598483760.db2.gz BHVMJGQVABNGBQ-IBGZPJMESA-N -1 3 368.416 3.130 20 0 FGADHM C[C@@H](OC(=O)c1nc(Cl)ccc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000736164885 598491842 /nfs/dbraw/zinc/49/18/42/598491842.db2.gz QOKDMUSXELCBJN-MRVPVSSYSA-N -1 3 364.192 3.487 20 0 FGADHM C[C@@H](OC(=O)c1nc(Cl)ccc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000736164885 598491843 /nfs/dbraw/zinc/49/18/43/598491843.db2.gz QOKDMUSXELCBJN-MRVPVSSYSA-N -1 3 364.192 3.487 20 0 FGADHM C[C@H](OC(=O)c1cc2ccccc2c(=O)[nH]1)c1cccc(-c2nnn[n-]2)c1 ZINC000736158740 598491874 /nfs/dbraw/zinc/49/18/74/598491874.db2.gz IOJBIPWOIDOZFF-NSHDSACASA-N -1 3 361.361 3.039 20 0 FGADHM C[C@H](OC(=O)c1cc2ccccc2c(=O)[nH]1)c1cccc(-c2nn[n-]n2)c1 ZINC000736158740 598491876 /nfs/dbraw/zinc/49/18/76/598491876.db2.gz IOJBIPWOIDOZFF-NSHDSACASA-N -1 3 361.361 3.039 20 0 FGADHM CC(C)N(C(=S)NCCc1cccs1)c1cccc(-c2nnn[n-]2)c1 ZINC000735856059 598496336 /nfs/dbraw/zinc/49/63/36/598496336.db2.gz AKZSPUJTNGCZOO-UHFFFAOYSA-N -1 3 372.523 3.260 20 0 FGADHM CC(C)N(C(=S)NCCc1cccs1)c1cccc(-c2nn[n-]n2)c1 ZINC000735856059 598496337 /nfs/dbraw/zinc/49/63/37/598496337.db2.gz AKZSPUJTNGCZOO-UHFFFAOYSA-N -1 3 372.523 3.260 20 0 FGADHM C[C@H]1C[C@@H]1NC(=O)c1ccccc1SCc1ccc(-c2nnn[n-]2)cc1 ZINC000736235804 598500966 /nfs/dbraw/zinc/50/09/66/598500966.db2.gz GSCNUFLRQIGLDG-LRDDRELGSA-N -1 3 365.462 3.297 20 0 FGADHM C[C@H]1C[C@@H]1NC(=O)c1ccccc1SCc1ccc(-c2nn[n-]n2)cc1 ZINC000736235804 598500967 /nfs/dbraw/zinc/50/09/67/598500967.db2.gz GSCNUFLRQIGLDG-LRDDRELGSA-N -1 3 365.462 3.297 20 0 FGADHM C[C@@H]1C[C@@H]1NC(=O)c1ccccc1SCc1ccc(-c2nnn[n-]2)cc1 ZINC000736235806 598501017 /nfs/dbraw/zinc/50/10/17/598501017.db2.gz GSCNUFLRQIGLDG-WBMJQRKESA-N -1 3 365.462 3.297 20 0 FGADHM C[C@@H]1C[C@@H]1NC(=O)c1ccccc1SCc1ccc(-c2nn[n-]n2)cc1 ZINC000736235806 598501019 /nfs/dbraw/zinc/50/10/19/598501019.db2.gz GSCNUFLRQIGLDG-WBMJQRKESA-N -1 3 365.462 3.297 20 0 FGADHM COc1ccc(C(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000737071340 598516124 /nfs/dbraw/zinc/51/61/24/598516124.db2.gz IENGVDQPYCMGQU-SNVBAGLBSA-N -1 3 358.785 3.447 20 0 FGADHM COc1ccc(C(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000737071340 598516125 /nfs/dbraw/zinc/51/61/25/598516125.db2.gz IENGVDQPYCMGQU-SNVBAGLBSA-N -1 3 358.785 3.447 20 0 FGADHM CC[C@H](Cc1ccccc1)NC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736352603 598527520 /nfs/dbraw/zinc/52/75/20/598527520.db2.gz TUYNINLCNPWXLC-RDTXWAMCSA-N -1 3 364.453 3.248 20 0 FGADHM CC[C@H](Cc1ccccc1)NC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736352603 598527521 /nfs/dbraw/zinc/52/75/21/598527521.db2.gz TUYNINLCNPWXLC-RDTXWAMCSA-N -1 3 364.453 3.248 20 0 FGADHM O=C(Cc1c[nH]c2cc(Cl)ccc12)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000737953827 598533572 /nfs/dbraw/zinc/53/35/72/598533572.db2.gz CQVXYARISDRLFV-UHFFFAOYSA-N -1 3 367.796 3.287 20 0 FGADHM O=C(Cc1c[nH]c2cc(Cl)ccc12)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000737953827 598533573 /nfs/dbraw/zinc/53/35/73/598533573.db2.gz CQVXYARISDRLFV-UHFFFAOYSA-N -1 3 367.796 3.287 20 0 FGADHM O=C(Nc1ccc(F)cc1C(F)(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000738165085 598544516 /nfs/dbraw/zinc/54/45/16/598544516.db2.gz DVASZINWJXKVCL-UHFFFAOYSA-N -1 3 351.263 3.277 20 0 FGADHM O=C(Nc1ccc(F)cc1C(F)(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000738165085 598544518 /nfs/dbraw/zinc/54/45/18/598544518.db2.gz DVASZINWJXKVCL-UHFFFAOYSA-N -1 3 351.263 3.277 20 0 FGADHM CCC[C@@H](NC(=O)COc1ccc(-c2nnn[n-]2)c(F)c1)c1ccccc1 ZINC000736430576 598549917 /nfs/dbraw/zinc/54/99/17/598549917.db2.gz YPNDOSDRYBWKSW-QGZVFWFLSA-N -1 3 369.400 3.042 20 0 FGADHM CCC[C@@H](NC(=O)COc1ccc(-c2nn[n-]n2)c(F)c1)c1ccccc1 ZINC000736430576 598549918 /nfs/dbraw/zinc/54/99/18/598549918.db2.gz YPNDOSDRYBWKSW-QGZVFWFLSA-N -1 3 369.400 3.042 20 0 FGADHM O=C(Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)[C@H]1CCCOC1 ZINC000738173984 598556223 /nfs/dbraw/zinc/55/62/23/598556223.db2.gz WQSIBUBWRLEVPQ-AWEZNQCLSA-N -1 3 365.393 3.024 20 0 FGADHM O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)[C@H]1CCCOC1 ZINC000738173984 598556224 /nfs/dbraw/zinc/55/62/24/598556224.db2.gz WQSIBUBWRLEVPQ-AWEZNQCLSA-N -1 3 365.393 3.024 20 0 FGADHM Cc1cnc(-c2cccc(NC(=O)c3sccc3-c3nnn[n-]3)c2)o1 ZINC000737446842 598557308 /nfs/dbraw/zinc/55/73/08/598557308.db2.gz WBAUNKJPLURZJO-UHFFFAOYSA-N -1 3 352.379 3.144 20 0 FGADHM Cc1cnc(-c2cccc(NC(=O)c3sccc3-c3nn[n-]n3)c2)o1 ZINC000737446842 598557309 /nfs/dbraw/zinc/55/73/09/598557309.db2.gz WBAUNKJPLURZJO-UHFFFAOYSA-N -1 3 352.379 3.144 20 0 FGADHM CCC[C@@H](CC)NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000736423785 598558670 /nfs/dbraw/zinc/55/86/70/598558670.db2.gz OGBHBNPPRFCFRS-SNVBAGLBSA-N -1 3 354.361 3.168 20 0 FGADHM CCC[C@@H](CC)NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000736423785 598558671 /nfs/dbraw/zinc/55/86/71/598558671.db2.gz OGBHBNPPRFCFRS-SNVBAGLBSA-N -1 3 354.361 3.168 20 0 FGADHM Cc1ccc(C)c(OC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737326535 598570806 /nfs/dbraw/zinc/57/08/06/598570806.db2.gz PSEUBJHEHZLWCB-QGZVFWFLSA-N -1 3 363.421 3.058 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1OCC1CC1 ZINC000738166025 598584619 /nfs/dbraw/zinc/58/46/19/598584619.db2.gz PVLDTICHQVPOGG-UHFFFAOYSA-N -1 3 353.357 3.047 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1OCC1CC1 ZINC000738166025 598584621 /nfs/dbraw/zinc/58/46/21/598584621.db2.gz PVLDTICHQVPOGG-UHFFFAOYSA-N -1 3 353.357 3.047 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000738163702 598585417 /nfs/dbraw/zinc/58/54/17/598585417.db2.gz STMUMSJWEOPULR-DTWKUNHWSA-N -1 3 357.311 3.313 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000738163702 598585419 /nfs/dbraw/zinc/58/54/19/598585419.db2.gz STMUMSJWEOPULR-DTWKUNHWSA-N -1 3 357.311 3.313 20 0 FGADHM CCc1cccc2c(CC(=O)N(C)c3cccc(-c4nnn[n-]4)c3)c[nH]c21 ZINC000736695271 598586023 /nfs/dbraw/zinc/58/60/23/598586023.db2.gz KEUWXHMRZHZXEA-UHFFFAOYSA-N -1 3 360.421 3.116 20 0 FGADHM CCc1cccc2c(CC(=O)N(C)c3cccc(-c4nn[n-]n4)c3)c[nH]c21 ZINC000736695271 598586025 /nfs/dbraw/zinc/58/60/25/598586025.db2.gz KEUWXHMRZHZXEA-UHFFFAOYSA-N -1 3 360.421 3.116 20 0 FGADHM Cc1ccc(F)c2c1CCCN2C(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000737344340 598586927 /nfs/dbraw/zinc/58/69/27/598586927.db2.gz DWFYHLYJFCWLMG-UHFFFAOYSA-N -1 3 368.441 3.464 20 0 FGADHM Cc1ccc(F)c2c1CCCN2C(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000737344340 598586929 /nfs/dbraw/zinc/58/69/29/598586929.db2.gz DWFYHLYJFCWLMG-UHFFFAOYSA-N -1 3 368.441 3.464 20 0 FGADHM CSCc1cccc(NC(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)c1 ZINC000737187779 598588151 /nfs/dbraw/zinc/58/81/51/598588151.db2.gz UVEVMMMDHIZTQE-LBPRGKRZSA-N -1 3 369.450 3.136 20 0 FGADHM CSCc1cccc(NC(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)c1 ZINC000737187779 598588153 /nfs/dbraw/zinc/58/81/53/598588153.db2.gz UVEVMMMDHIZTQE-LBPRGKRZSA-N -1 3 369.450 3.136 20 0 FGADHM CCc1ccc2c(CNc3cc(-c4nnn[n-]4)ccc3C)cc(=O)oc2c1 ZINC000736689326 598593102 /nfs/dbraw/zinc/59/31/02/598593102.db2.gz FQWHXQULMQCVDL-UHFFFAOYSA-N -1 3 361.405 3.456 20 0 FGADHM CCc1ccc2c(CNc3cc(-c4nn[n-]n4)ccc3C)cc(=O)oc2c1 ZINC000736689326 598593103 /nfs/dbraw/zinc/59/31/03/598593103.db2.gz FQWHXQULMQCVDL-UHFFFAOYSA-N -1 3 361.405 3.456 20 0 FGADHM Oc1ccc(C2=CCN(c3c(F)cc(-c4nnn[n-]4)cc3F)CC2)cc1 ZINC000738395898 598601483 /nfs/dbraw/zinc/60/14/83/598601483.db2.gz AIPGDGIWQSWQLK-UHFFFAOYSA-N -1 3 355.348 3.144 20 0 FGADHM Oc1ccc(C2=CCN(c3c(F)cc(-c4nn[n-]n4)cc3F)CC2)cc1 ZINC000738395898 598601485 /nfs/dbraw/zinc/60/14/85/598601485.db2.gz AIPGDGIWQSWQLK-UHFFFAOYSA-N -1 3 355.348 3.144 20 0 FGADHM O=C(N[C@@H]1CCCC[C@H]1Cc1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000738026686 598609644 /nfs/dbraw/zinc/60/96/44/598609644.db2.gz UJBRYVXFOYDFEZ-QFBILLFUSA-N -1 3 361.449 3.398 20 0 FGADHM O=C(N[C@@H]1CCCC[C@H]1Cc1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000738026686 598609646 /nfs/dbraw/zinc/60/96/46/598609646.db2.gz UJBRYVXFOYDFEZ-QFBILLFUSA-N -1 3 361.449 3.398 20 0 FGADHM Clc1ccc(Cc2noc(COc3cccc(-c4nnn[n-]4)c3)n2)cc1 ZINC000737573875 598612774 /nfs/dbraw/zinc/61/27/74/598612774.db2.gz DMNDSCYLYJHFTP-UHFFFAOYSA-N -1 3 368.784 3.073 20 0 FGADHM Clc1ccc(Cc2noc(COc3cccc(-c4nn[n-]n4)c3)n2)cc1 ZINC000737573875 598612776 /nfs/dbraw/zinc/61/27/76/598612776.db2.gz DMNDSCYLYJHFTP-UHFFFAOYSA-N -1 3 368.784 3.073 20 0 FGADHM CC[C@H](NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1OC ZINC000736364338 598624382 /nfs/dbraw/zinc/62/43/82/598624382.db2.gz RCAGZBPJAOJBNU-HNNXBMFYSA-N -1 3 370.388 3.287 20 0 FGADHM CC[C@H](NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1OC ZINC000736364338 598624383 /nfs/dbraw/zinc/62/43/83/598624383.db2.gz RCAGZBPJAOJBNU-HNNXBMFYSA-N -1 3 370.388 3.287 20 0 FGADHM C[C@H]1CC(=O)c2c1c(F)ccc2OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000736222265 598644596 /nfs/dbraw/zinc/64/45/96/598644596.db2.gz CCJRFKQFLHNERK-VIFPVBQESA-N -1 3 356.332 3.414 20 0 FGADHM C[C@H]1CC(=O)c2c1c(F)ccc2OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000736222265 598644598 /nfs/dbraw/zinc/64/45/98/598644598.db2.gz CCJRFKQFLHNERK-VIFPVBQESA-N -1 3 356.332 3.414 20 0 FGADHM Fc1ccc(COc2nc(-c3ccccc3Cl)no2)c(-c2nnn[n-]2)c1 ZINC000737651505 598645959 /nfs/dbraw/zinc/64/59/59/598645959.db2.gz XHVFXKWHLQOSFD-UHFFFAOYSA-N -1 3 372.747 3.288 20 0 FGADHM Fc1ccc(COc2nc(-c3ccccc3Cl)no2)c(-c2nn[n-]n2)c1 ZINC000737651505 598645960 /nfs/dbraw/zinc/64/59/60/598645960.db2.gz XHVFXKWHLQOSFD-UHFFFAOYSA-N -1 3 372.747 3.288 20 0 FGADHM O=C(Nc1nccs1)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738208479 598646733 /nfs/dbraw/zinc/64/67/33/598646733.db2.gz NRNPUHXLMLBZIS-UHFFFAOYSA-N -1 3 364.390 3.368 20 0 FGADHM CN(C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1)C1CCCC1 ZINC000736741656 598647801 /nfs/dbraw/zinc/64/78/01/598647801.db2.gz HPOATPNITGTOJU-UHFFFAOYSA-N -1 3 364.409 3.069 20 0 FGADHM CN(C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1)C1CCCC1 ZINC000736741656 598647803 /nfs/dbraw/zinc/64/78/03/598647803.db2.gz HPOATPNITGTOJU-UHFFFAOYSA-N -1 3 364.409 3.069 20 0 FGADHM C[C@@H]1CCC[C@@H](NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)C1 ZINC000736254462 598649495 /nfs/dbraw/zinc/64/94/95/598649495.db2.gz RVCCRTSKEUGUCY-GDBMZVCRSA-N -1 3 357.458 3.111 20 0 FGADHM C[C@@H]1CCC[C@@H](NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)C1 ZINC000736254462 598649497 /nfs/dbraw/zinc/64/94/97/598649497.db2.gz RVCCRTSKEUGUCY-GDBMZVCRSA-N -1 3 357.458 3.111 20 0 FGADHM COc1ccccc1[C@H](C)CC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000737143610 598652541 /nfs/dbraw/zinc/65/25/41/598652541.db2.gz XECIMQIJGAICJQ-CQSZACIVSA-N -1 3 365.437 3.028 20 0 FGADHM COc1ccccc1[C@H](C)CC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000737143610 598652542 /nfs/dbraw/zinc/65/25/42/598652542.db2.gz XECIMQIJGAICJQ-CQSZACIVSA-N -1 3 365.437 3.028 20 0 FGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)Oc1cccc2ncccc21 ZINC000737946875 598654443 /nfs/dbraw/zinc/65/44/43/598654443.db2.gz IABYHLXOYKWVBW-UHFFFAOYSA-N -1 3 363.402 3.113 20 0 FGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)Oc1cccc2ncccc21 ZINC000737946875 598654445 /nfs/dbraw/zinc/65/44/45/598654445.db2.gz IABYHLXOYKWVBW-UHFFFAOYSA-N -1 3 363.402 3.113 20 0 FGADHM O=C(Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1)c1cscn1 ZINC000738174525 598656454 /nfs/dbraw/zinc/65/64/54/598656454.db2.gz JPFXNGSJSLAGAC-UHFFFAOYSA-N -1 3 364.390 3.368 20 0 FGADHM O=C(Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1)c1cscn1 ZINC000738174525 598656455 /nfs/dbraw/zinc/65/64/55/598656455.db2.gz JPFXNGSJSLAGAC-UHFFFAOYSA-N -1 3 364.390 3.368 20 0 FGADHM CCCCCOc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000736452378 598661236 /nfs/dbraw/zinc/66/12/36/598661236.db2.gz VMDFUTQBQSMUFF-UHFFFAOYSA-N -1 3 352.398 3.083 20 0 FGADHM CCCCCOc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000736452378 598661237 /nfs/dbraw/zinc/66/12/37/598661237.db2.gz VMDFUTQBQSMUFF-UHFFFAOYSA-N -1 3 352.398 3.083 20 0 FGADHM CC[C@H](C)CN(C)C(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000736321861 598666736 /nfs/dbraw/zinc/66/67/36/598666736.db2.gz GDZQNLOVALJXBL-ZDUSSCGKSA-N -1 3 369.425 3.157 20 0 FGADHM O=C(NCc1ccoc1)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000738124333 598668101 /nfs/dbraw/zinc/66/81/01/598668101.db2.gz LZIXKQZLEHGUPV-UHFFFAOYSA-N -1 3 361.361 3.182 20 0 FGADHM O=C(NCc1ccoc1)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738124333 598668103 /nfs/dbraw/zinc/66/81/03/598668103.db2.gz LZIXKQZLEHGUPV-UHFFFAOYSA-N -1 3 361.361 3.182 20 0 FGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)NC1CC(c2ccccc2)C1 ZINC000737943182 598669080 /nfs/dbraw/zinc/66/90/80/598669080.db2.gz PZBCFQFQQXEXPH-UHFFFAOYSA-N -1 3 365.462 3.021 20 0 FGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)NC1CC(c2ccccc2)C1 ZINC000737943182 598669082 /nfs/dbraw/zinc/66/90/82/598669082.db2.gz PZBCFQFQQXEXPH-UHFFFAOYSA-N -1 3 365.462 3.021 20 0 FGADHM COc1cccc2c1OCC[C@H]2Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737143955 598669929 /nfs/dbraw/zinc/66/99/29/598669929.db2.gz WXJKEYYABNODHG-CQSZACIVSA-N -1 3 357.801 3.464 20 0 FGADHM COc1cccc2c1OCC[C@H]2Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737143955 598669931 /nfs/dbraw/zinc/66/99/31/598669931.db2.gz WXJKEYYABNODHG-CQSZACIVSA-N -1 3 357.801 3.464 20 0 FGADHM Cc1oc(NC(=O)CN(C)[C@H](C)c2ccccc2C)c(-c2nnn[n-]2)c1C ZINC000822345857 607364102 /nfs/dbraw/zinc/36/41/02/607364102.db2.gz UVLSUDZKCMRBCF-CYBMUJFWSA-N -1 3 368.441 3.016 20 0 FGADHM Cc1ccc(C)c(SCC(=O)OCc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000737326927 598702986 /nfs/dbraw/zinc/70/29/86/598702986.db2.gz UVEPJIUQSCHZIM-UHFFFAOYSA-N -1 3 372.425 3.458 20 0 FGADHM Cc1ccc(C)c(SCC(=O)OCc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000737326927 598702987 /nfs/dbraw/zinc/70/29/87/598702987.db2.gz UVEPJIUQSCHZIM-UHFFFAOYSA-N -1 3 372.425 3.458 20 0 FGADHM COc1ccccc1C(C)(C)C(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737137751 598711215 /nfs/dbraw/zinc/71/12/15/598711215.db2.gz IXWUOMQSOYTQGY-UHFFFAOYSA-N -1 3 370.384 3.035 20 0 FGADHM COc1ccccc1C(C)(C)C(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737137751 598711217 /nfs/dbraw/zinc/71/12/17/598711217.db2.gz IXWUOMQSOYTQGY-UHFFFAOYSA-N -1 3 370.384 3.035 20 0 FGADHM CCC(=O)[C@@H](C)OC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736302401 598712253 /nfs/dbraw/zinc/71/22/53/598712253.db2.gz DYFYSKRBKOBAFW-GFCCVEGCSA-N -1 3 366.377 3.183 20 0 FGADHM CCC(=O)[C@@H](C)OC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736302401 598712255 /nfs/dbraw/zinc/71/22/55/598712255.db2.gz DYFYSKRBKOBAFW-GFCCVEGCSA-N -1 3 366.377 3.183 20 0 FGADHM c1sc(-c2ccc3c(c2)OCCO3)nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC000738405114 598713264 /nfs/dbraw/zinc/71/32/64/598713264.db2.gz LYOLOGLRCBYYMB-UHFFFAOYSA-N -1 3 363.402 3.428 20 0 FGADHM c1sc(-c2ccc3c(c2)OCCO3)nc1-c1ccc(-c2nn[n-]n2)cc1 ZINC000738405114 598713266 /nfs/dbraw/zinc/71/32/66/598713266.db2.gz LYOLOGLRCBYYMB-UHFFFAOYSA-N -1 3 363.402 3.428 20 0 FGADHM C[C@H](CSc1ccccc1)C(=O)OCc1ccc(-c2nnn[n-]2)cc1F ZINC000736045641 598723915 /nfs/dbraw/zinc/72/39/15/598723915.db2.gz ALFHDOPFFIOZDV-GFCCVEGCSA-N -1 3 372.425 3.477 20 0 FGADHM C[C@H](CSc1ccccc1)C(=O)OCc1ccc(-c2nn[n-]n2)cc1F ZINC000736045641 598723917 /nfs/dbraw/zinc/72/39/17/598723917.db2.gz ALFHDOPFFIOZDV-GFCCVEGCSA-N -1 3 372.425 3.477 20 0 FGADHM CC(C)(C)COC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000735619075 598734563 /nfs/dbraw/zinc/73/45/63/598734563.db2.gz SSDXHNNZSXMQHV-UHFFFAOYSA-N -1 3 353.382 3.257 20 0 FGADHM CC(C)(C)COC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000735619075 598734566 /nfs/dbraw/zinc/73/45/66/598734566.db2.gz SSDXHNNZSXMQHV-UHFFFAOYSA-N -1 3 353.382 3.257 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@H](C)Cc1ccccc1 ZINC000736629583 598741743 /nfs/dbraw/zinc/74/17/43/598741743.db2.gz WXSGXBMZBAJUCP-CYBMUJFWSA-N -1 3 352.394 3.050 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@H](C)Cc1ccccc1 ZINC000736629583 598741744 /nfs/dbraw/zinc/74/17/44/598741744.db2.gz WXSGXBMZBAJUCP-CYBMUJFWSA-N -1 3 352.394 3.050 20 0 FGADHM Clc1cc(-c2nnn[n-]2)cnc1NCc1cc(-c2ccccc2)no1 ZINC000737558038 598745031 /nfs/dbraw/zinc/74/50/31/598745031.db2.gz JHNOHGBUCJUDTH-UHFFFAOYSA-N -1 3 353.773 3.182 20 0 FGADHM Clc1cc(-c2nn[n-]n2)cnc1NCc1cc(-c2ccccc2)no1 ZINC000737558038 598745032 /nfs/dbraw/zinc/74/50/32/598745032.db2.gz JHNOHGBUCJUDTH-UHFFFAOYSA-N -1 3 353.773 3.182 20 0 FGADHM Cc1ccc(C)n1C1CCN(c2nc(C)cc(C)c2-c2nnn[n-]2)CC1 ZINC000737247076 598747213 /nfs/dbraw/zinc/74/72/13/598747213.db2.gz YVEALXVQHASGOK-UHFFFAOYSA-N -1 3 351.458 3.138 20 0 FGADHM Cc1ccc(C)n1C1CCN(c2nc(C)cc(C)c2-c2nn[n-]n2)CC1 ZINC000737247076 598747215 /nfs/dbraw/zinc/74/72/15/598747215.db2.gz YVEALXVQHASGOK-UHFFFAOYSA-N -1 3 351.458 3.138 20 0 FGADHM O=C(C[C@@H]1CCc2ccccc2C1)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737821018 598750897 /nfs/dbraw/zinc/75/08/97/598750897.db2.gz ULTKVLFXHDVRND-CYBMUJFWSA-N -1 3 366.396 3.244 20 0 FGADHM O=C(C[C@@H]1CCc2ccccc2C1)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737821018 598750898 /nfs/dbraw/zinc/75/08/98/598750898.db2.gz ULTKVLFXHDVRND-CYBMUJFWSA-N -1 3 366.396 3.244 20 0 FGADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1F)c1ncoc1-c1ccccc1 ZINC000738233006 598751569 /nfs/dbraw/zinc/75/15/69/598751569.db2.gz ZGPXMTZXHYOCSA-UHFFFAOYSA-N -1 3 365.324 3.018 20 0 FGADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1F)c1ncoc1-c1ccccc1 ZINC000738233006 598751570 /nfs/dbraw/zinc/75/15/70/598751570.db2.gz ZGPXMTZXHYOCSA-UHFFFAOYSA-N -1 3 365.324 3.018 20 0 FGADHM Cc1ccccc1[C@H](NC(=O)NCc1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000737418348 598758959 /nfs/dbraw/zinc/75/89/59/598758959.db2.gz ACWXJUQWXYWRRX-GOSISDBHSA-N -1 3 364.453 3.372 20 0 FGADHM Cc1ccccc1[C@H](NC(=O)NCc1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000737418348 598758960 /nfs/dbraw/zinc/75/89/60/598758960.db2.gz ACWXJUQWXYWRRX-GOSISDBHSA-N -1 3 364.453 3.372 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@H](CC)Cc1ccccc1 ZINC000736628612 598762923 /nfs/dbraw/zinc/76/29/23/598762923.db2.gz RLNQSZPXABNUIZ-OAHLLOKOSA-N -1 3 366.421 3.440 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@H](CC)Cc1ccccc1 ZINC000736628612 598762925 /nfs/dbraw/zinc/76/29/25/598762925.db2.gz RLNQSZPXABNUIZ-OAHLLOKOSA-N -1 3 366.421 3.440 20 0 FGADHM CC(C)[C@@H]1CCC[C@H](NC(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000735747163 598782934 /nfs/dbraw/zinc/78/29/34/598782934.db2.gz PEUOJMPTISECHE-WBVHZDCISA-N -1 3 356.474 3.223 20 0 FGADHM CC(C)[C@@H]1CCC[C@H](NC(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000735747163 598782936 /nfs/dbraw/zinc/78/29/36/598782936.db2.gz PEUOJMPTISECHE-WBVHZDCISA-N -1 3 356.474 3.223 20 0 FGADHM COc1ccccc1CC(C)(C)C(=O)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000737152742 598790408 /nfs/dbraw/zinc/79/04/08/598790408.db2.gz MWLXYEJINQSHEA-UHFFFAOYSA-N -1 3 352.394 3.050 20 0 FGADHM COc1ccccc1CC(C)(C)C(=O)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000737152742 598790409 /nfs/dbraw/zinc/79/04/09/598790409.db2.gz MWLXYEJINQSHEA-UHFFFAOYSA-N -1 3 352.394 3.050 20 0 FGADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)OC[C@@H]1CCCc2ccccc21 ZINC000737852805 598799278 /nfs/dbraw/zinc/79/92/78/598799278.db2.gz GYNSZKBIZIBTMP-SFHVURJKSA-N -1 3 362.433 3.463 20 0 FGADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)OC[C@@H]1CCCc2ccccc21 ZINC000737852805 598799279 /nfs/dbraw/zinc/79/92/79/598799279.db2.gz GYNSZKBIZIBTMP-SFHVURJKSA-N -1 3 362.433 3.463 20 0 FGADHM CC1(C)CCCN(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)C1 ZINC000736211104 598799482 /nfs/dbraw/zinc/79/94/82/598799482.db2.gz KYTOGKALLFDXAT-UHFFFAOYSA-N -1 3 366.372 3.122 20 0 FGADHM CC1(C)CCCN(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)C1 ZINC000736211104 598799483 /nfs/dbraw/zinc/79/94/83/598799483.db2.gz KYTOGKALLFDXAT-UHFFFAOYSA-N -1 3 366.372 3.122 20 0 FGADHM CC(C)c1csc([C@H]2CCCN(c3ncccc3-c3nnn[n-]3)C2)n1 ZINC000735938657 599295390 /nfs/dbraw/zinc/29/53/90/599295390.db2.gz CQOFBSQOXZTSGM-LBPRGKRZSA-N -1 3 355.471 3.226 20 0 FGADHM CC(C)c1csc([C@H]2CCCN(c3ncccc3-c3nn[n-]n3)C2)n1 ZINC000735938657 599295393 /nfs/dbraw/zinc/29/53/93/599295393.db2.gz CQOFBSQOXZTSGM-LBPRGKRZSA-N -1 3 355.471 3.226 20 0 FGADHM CN(C(=O)CSCc1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736737079 599305078 /nfs/dbraw/zinc/30/50/78/599305078.db2.gz LEFRIQIGWKLFTL-UHFFFAOYSA-N -1 3 373.869 3.416 20 0 FGADHM CN(C(=O)CSCc1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736737079 599305082 /nfs/dbraw/zinc/30/50/82/599305082.db2.gz LEFRIQIGWKLFTL-UHFFFAOYSA-N -1 3 373.869 3.416 20 0 FGADHM Cc1nc2ccccc2c(C)c1CC(=O)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737488910 599306007 /nfs/dbraw/zinc/30/60/07/599306007.db2.gz ALSZCCOHBWHSHA-UHFFFAOYSA-N -1 3 372.432 3.237 20 0 FGADHM Cc1nc2ccccc2c(C)c1CC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737488910 599306008 /nfs/dbraw/zinc/30/60/08/599306008.db2.gz ALSZCCOHBWHSHA-UHFFFAOYSA-N -1 3 372.432 3.237 20 0 FGADHM CCCOC(=O)c1ccc(NCc2cc(-c3nnn[n-]3)ccc2OC)cc1 ZINC000821128250 607368708 /nfs/dbraw/zinc/36/87/08/607368708.db2.gz SDEPVOKKULSQLT-UHFFFAOYSA-N -1 3 367.409 3.054 20 0 FGADHM CCCOC(=O)c1ccc(NCc2cc(-c3nn[n-]n3)ccc2OC)cc1 ZINC000821128250 607368710 /nfs/dbraw/zinc/36/87/10/607368710.db2.gz SDEPVOKKULSQLT-UHFFFAOYSA-N -1 3 367.409 3.054 20 0 FGADHM Cc1ncc(CNc2ccccc2Oc2ncccc2-c2nnn[n-]2)s1 ZINC000737493184 599325933 /nfs/dbraw/zinc/32/59/33/599325933.db2.gz ZXPBKRBGUFKSPZ-UHFFFAOYSA-N -1 3 365.422 3.431 20 0 FGADHM CNC(=O)c1ccc(CS[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736877797 599327094 /nfs/dbraw/zinc/32/70/94/599327094.db2.gz ONACWQBSTDQMEL-LBPRGKRZSA-N -1 3 353.451 3.221 20 0 FGADHM CNC(=O)c1ccc(CS[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736877797 599327096 /nfs/dbraw/zinc/32/70/96/599327096.db2.gz ONACWQBSTDQMEL-LBPRGKRZSA-N -1 3 353.451 3.221 20 0 FGADHM Fc1ccc(NCc2cc(Br)cs2)cc1-c1nnn[n-]1 ZINC000737656913 599330948 /nfs/dbraw/zinc/33/09/48/599330948.db2.gz QUZXKHSBIFYJRM-UHFFFAOYSA-N -1 3 354.208 3.442 20 0 FGADHM Fc1ccc(NCc2cc(Br)cs2)cc1-c1nn[n-]n1 ZINC000737656913 599330950 /nfs/dbraw/zinc/33/09/50/599330950.db2.gz QUZXKHSBIFYJRM-UHFFFAOYSA-N -1 3 354.208 3.442 20 0 FGADHM Fc1ccc(NCc2ccc(Br)s2)cc1-c1nnn[n-]1 ZINC000737656459 599330993 /nfs/dbraw/zinc/33/09/93/599330993.db2.gz NAEIPWXCQICVSR-UHFFFAOYSA-N -1 3 354.208 3.442 20 0 FGADHM Fc1ccc(NCc2ccc(Br)s2)cc1-c1nn[n-]n1 ZINC000737656459 599330995 /nfs/dbraw/zinc/33/09/95/599330995.db2.gz NAEIPWXCQICVSR-UHFFFAOYSA-N -1 3 354.208 3.442 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NC[C@H]1CCCO[C@@H]1C(C)(C)C ZINC000737294022 599338675 /nfs/dbraw/zinc/33/86/75/599338675.db2.gz JPLQSPANWCMDNE-ZBFHGGJFSA-N -1 3 372.473 3.138 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NC[C@H]1CCCO[C@@H]1C(C)(C)C ZINC000737294022 599338678 /nfs/dbraw/zinc/33/86/78/599338678.db2.gz JPLQSPANWCMDNE-ZBFHGGJFSA-N -1 3 372.473 3.138 20 0 FGADHM CCc1ccc(CN(C)C(=O)CSc2ccccc2-c2nnn[n-]2)cc1 ZINC000821480212 599342196 /nfs/dbraw/zinc/34/21/96/599342196.db2.gz ACCMADGZFJFIQM-UHFFFAOYSA-N -1 3 367.478 3.180 20 0 FGADHM CCc1ccc(CN(C)C(=O)CSc2ccccc2-c2nn[n-]n2)cc1 ZINC000821480212 599342198 /nfs/dbraw/zinc/34/21/98/599342198.db2.gz ACCMADGZFJFIQM-UHFFFAOYSA-N -1 3 367.478 3.180 20 0 FGADHM CCOC(=O)[C@H](Cc1ccccc1)Sc1ccccc1-c1nnn[n-]1 ZINC000821319642 599344362 /nfs/dbraw/zinc/34/43/62/599344362.db2.gz GPGHKQZUZUJYGP-INIZCTEOSA-N -1 3 354.435 3.133 20 0 FGADHM CCOC(=O)[C@H](Cc1ccccc1)Sc1ccccc1-c1nn[n-]n1 ZINC000821319642 599344363 /nfs/dbraw/zinc/34/43/63/599344363.db2.gz GPGHKQZUZUJYGP-INIZCTEOSA-N -1 3 354.435 3.133 20 0 FGADHM Cc1ccc(F)cc1NC(=O)[C@H](C)Sc1ccccc1-c1nnn[n-]1 ZINC000822241262 599348418 /nfs/dbraw/zinc/34/84/18/599348418.db2.gz PTSKRTGMRPDLPJ-NSHDSACASA-N -1 3 357.414 3.434 20 0 FGADHM Cc1ccc(F)cc1NC(=O)[C@H](C)Sc1ccccc1-c1nn[n-]n1 ZINC000822241262 599348421 /nfs/dbraw/zinc/34/84/21/599348421.db2.gz PTSKRTGMRPDLPJ-NSHDSACASA-N -1 3 357.414 3.434 20 0 FGADHM CCN(C(=O)N1CCc2ccccc21)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736505102 599352371 /nfs/dbraw/zinc/35/23/71/599352371.db2.gz GYAXAYUAMNIMQO-CQSZACIVSA-N -1 3 362.437 3.432 20 0 FGADHM CCN(C(=O)N1CCc2ccccc21)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736505102 599352373 /nfs/dbraw/zinc/35/23/73/599352373.db2.gz GYAXAYUAMNIMQO-CQSZACIVSA-N -1 3 362.437 3.432 20 0 FGADHM CCc1cc(N[C@H](C)c2cccc(-c3nnn[n-]3)c2)nc(-c2ccccn2)n1 ZINC000821469591 599356232 /nfs/dbraw/zinc/35/62/32/599356232.db2.gz GYFXWTKWXSPJMR-CYBMUJFWSA-N -1 3 372.436 3.454 20 0 FGADHM CCc1cc(N[C@H](C)c2cccc(-c3nn[n-]n3)c2)nc(-c2ccccn2)n1 ZINC000821469591 599356237 /nfs/dbraw/zinc/35/62/37/599356237.db2.gz GYFXWTKWXSPJMR-CYBMUJFWSA-N -1 3 372.436 3.454 20 0 FGADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)CC[C@H]1CC[C@@H](C)O1 ZINC000820087729 599364399 /nfs/dbraw/zinc/36/43/99/599364399.db2.gz YMWHHINBYVAYHP-CRAIPNDOSA-N -1 3 371.485 3.199 20 0 FGADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)CC[C@H]1CC[C@@H](C)O1 ZINC000820087729 599364401 /nfs/dbraw/zinc/36/44/01/599364401.db2.gz YMWHHINBYVAYHP-CRAIPNDOSA-N -1 3 371.485 3.199 20 0 FGADHM CCCC[C@@H](COC)NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736439626 599369873 /nfs/dbraw/zinc/36/98/73/599369873.db2.gz XVWUBXWLSBYPAH-NSHDSACASA-N -1 3 368.894 3.012 20 0 FGADHM CCCC[C@@H](COC)NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736439626 599369876 /nfs/dbraw/zinc/36/98/76/599369876.db2.gz XVWUBXWLSBYPAH-NSHDSACASA-N -1 3 368.894 3.012 20 0 FGADHM C[C@@H]1CC[C@@H](OC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)[C@H](C)C1 ZINC000736243952 599375222 /nfs/dbraw/zinc/37/52/22/599375222.db2.gz BKNGHCFWYLLBSX-XJKCOSOUSA-N -1 3 360.483 3.468 20 0 FGADHM C[C@@H]1CC[C@@H](OC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)[C@H](C)C1 ZINC000736243952 599375225 /nfs/dbraw/zinc/37/52/25/599375225.db2.gz BKNGHCFWYLLBSX-XJKCOSOUSA-N -1 3 360.483 3.468 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1CNc1cccc(-c2nccc(C)n2)c1 ZINC000821737020 607371725 /nfs/dbraw/zinc/37/17/25/607371725.db2.gz QNDHFPFABRHMIZ-UHFFFAOYSA-N -1 3 373.420 3.253 20 0 FGADHM C[C@@H](NC(=O)NCc1ccc(Cl)s1)c1cccc(-c2nnn[n-]2)c1 ZINC000820373488 599404041 /nfs/dbraw/zinc/40/40/41/599404041.db2.gz ILESZZQAJZLIBA-SECBINFHSA-N -1 3 362.846 3.142 20 0 FGADHM C[C@@H](NC(=O)NCc1ccc(Cl)s1)c1cccc(-c2nn[n-]n2)c1 ZINC000820373488 599404042 /nfs/dbraw/zinc/40/40/42/599404042.db2.gz ILESZZQAJZLIBA-SECBINFHSA-N -1 3 362.846 3.142 20 0 FGADHM C[C@@H](C(=O)OCC(=O)c1cccc(-c2nnn[n-]2)c1)c1cccc(Cl)c1 ZINC000824051783 607374277 /nfs/dbraw/zinc/37/42/77/607374277.db2.gz DVHCKWOMWGUKNP-LLVKDONJSA-N -1 3 370.796 3.050 20 0 FGADHM C[C@@H](C(=O)OCC(=O)c1cccc(-c2nn[n-]n2)c1)c1cccc(Cl)c1 ZINC000824051783 607374279 /nfs/dbraw/zinc/37/42/79/607374279.db2.gz DVHCKWOMWGUKNP-LLVKDONJSA-N -1 3 370.796 3.050 20 0 FGADHM FC(F)(F)CO[C@H]1CCCN(c2cc(Cl)ccc2-c2nnn[n-]2)C1 ZINC000737626678 599414784 /nfs/dbraw/zinc/41/47/84/599414784.db2.gz JAFADLQVEPLUME-JTQLQIEISA-N -1 3 361.755 3.068 20 0 FGADHM FC(F)(F)CO[C@H]1CCCN(c2cc(Cl)ccc2-c2nn[n-]n2)C1 ZINC000737626678 599414788 /nfs/dbraw/zinc/41/47/88/599414788.db2.gz JAFADLQVEPLUME-JTQLQIEISA-N -1 3 361.755 3.068 20 0 FGADHM Cc1cccn2cc(CNc3ccc(OC(C)C)c(-c4nnn[n-]4)c3)nc12 ZINC000822366801 607375310 /nfs/dbraw/zinc/37/53/10/607375310.db2.gz TYWVBURLFIXDTF-UHFFFAOYSA-N -1 3 363.425 3.222 20 0 FGADHM Cc1cccn2cc(CNc3ccc(OC(C)C)c(-c4nn[n-]n4)c3)nc12 ZINC000822366801 607375313 /nfs/dbraw/zinc/37/53/13/607375313.db2.gz TYWVBURLFIXDTF-UHFFFAOYSA-N -1 3 363.425 3.222 20 0 FGADHM CC(C)CC[C@H]1CCC[C@H]1NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000820073917 599432157 /nfs/dbraw/zinc/43/21/57/599432157.db2.gz XBLGOQNBISZTNS-CXAGYDPISA-N -1 3 374.464 3.410 20 0 FGADHM CC(C)CC[C@H]1CCC[C@H]1NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000820073917 599432159 /nfs/dbraw/zinc/43/21/59/599432159.db2.gz XBLGOQNBISZTNS-CXAGYDPISA-N -1 3 374.464 3.410 20 0 FGADHM CCCO[C@H]1CCCN(c2cc(-c3nnn[n-]3)c3ccccc3n2)CC1 ZINC000736487389 599433764 /nfs/dbraw/zinc/43/37/64/599433764.db2.gz HBOCOFLQFAUMQJ-AWEZNQCLSA-N -1 3 352.442 3.200 20 0 FGADHM CCCO[C@H]1CCCN(c2cc(-c3nn[n-]n3)c3ccccc3n2)CC1 ZINC000736487389 599433767 /nfs/dbraw/zinc/43/37/67/599433767.db2.gz HBOCOFLQFAUMQJ-AWEZNQCLSA-N -1 3 352.442 3.200 20 0 FGADHM CSCCCNc1cc(C)c(-c2nnn[n-]2)c2nc3ccccc3n21 ZINC000737180691 599441540 /nfs/dbraw/zinc/44/15/40/599441540.db2.gz FNPUCJHKDFCBEM-UHFFFAOYSA-N -1 3 353.455 3.141 20 0 FGADHM CSCCCNc1cc(C)c(-c2nn[n-]n2)c2nc3ccccc3n21 ZINC000737180691 599441543 /nfs/dbraw/zinc/44/15/43/599441543.db2.gz FNPUCJHKDFCBEM-UHFFFAOYSA-N -1 3 353.455 3.141 20 0 FGADHM CC[C@@H]1CCC[C@@H](Nc2ccc(N3CCC(O)CC3)c(-c3nnn[n-]3)c2)C1 ZINC000820971839 599459747 /nfs/dbraw/zinc/45/97/47/599459747.db2.gz GVOVBNJMTZLKHH-HUUCEWRRSA-N -1 3 370.501 3.209 20 0 FGADHM CC[C@@H]1CCC[C@@H](Nc2ccc(N3CCC(O)CC3)c(-c3nn[n-]n3)c2)C1 ZINC000820971839 599459750 /nfs/dbraw/zinc/45/97/50/599459750.db2.gz GVOVBNJMTZLKHH-HUUCEWRRSA-N -1 3 370.501 3.209 20 0 FGADHM C[C@@H](c1ccccc1F)N(C)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000820569918 599460722 /nfs/dbraw/zinc/46/07/22/599460722.db2.gz AUCJRQPMVQISPC-NSHDSACASA-N -1 3 372.379 3.048 20 0 FGADHM C[C@@H](c1ccccc1F)N(C)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000820569918 599460725 /nfs/dbraw/zinc/46/07/25/599460725.db2.gz AUCJRQPMVQISPC-NSHDSACASA-N -1 3 372.379 3.048 20 0 FGADHM CN(Cc1ccncc1)c1c(-c2nnn[n-]2)cnc2ccc(Cl)cc21 ZINC000821615536 599469191 /nfs/dbraw/zinc/46/91/91/599469191.db2.gz AVNXFEJBPYIHSE-UHFFFAOYSA-N -1 3 351.801 3.100 20 0 FGADHM CN(Cc1ccncc1)c1c(-c2nn[n-]n2)cnc2ccc(Cl)cc21 ZINC000821615536 599469192 /nfs/dbraw/zinc/46/91/92/599469192.db2.gz AVNXFEJBPYIHSE-UHFFFAOYSA-N -1 3 351.801 3.100 20 0 FGADHM C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736234167 599470305 /nfs/dbraw/zinc/47/03/05/599470305.db2.gz IJFMLMRPFCNONN-LRDDRELGSA-N -1 3 351.385 3.024 20 0 FGADHM C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736234167 599470307 /nfs/dbraw/zinc/47/03/07/599470307.db2.gz IJFMLMRPFCNONN-LRDDRELGSA-N -1 3 351.385 3.024 20 0 FGADHM C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1sccc1-c1nnn[n-]1 ZINC000736238272 599470479 /nfs/dbraw/zinc/47/04/79/599470479.db2.gz YLHNZGOALMCGCC-PWSUYJOCSA-N -1 3 357.414 3.086 20 0 FGADHM C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1sccc1-c1nn[n-]n1 ZINC000736238272 599470482 /nfs/dbraw/zinc/47/04/82/599470482.db2.gz YLHNZGOALMCGCC-PWSUYJOCSA-N -1 3 357.414 3.086 20 0 FGADHM O=C(CN1CCCCC[C@@H]1c1ccco1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000737872473 599478490 /nfs/dbraw/zinc/47/84/90/599478490.db2.gz JDKRMJKJWFZSCQ-MRXNPFEDSA-N -1 3 366.425 3.016 20 0 FGADHM Clc1ccc2ncc(-c3nnn[n-]3)c(NCc3ccc(Cl)nc3)c2c1 ZINC000822581133 599486307 /nfs/dbraw/zinc/48/63/07/599486307.db2.gz BPGPGWFGHRCUHG-UHFFFAOYSA-N -1 3 372.219 3.151 20 0 FGADHM Clc1ccc2ncc(-c3nn[n-]n3)c(NCc3ccc(Cl)nc3)c2c1 ZINC000822581133 599486308 /nfs/dbraw/zinc/48/63/08/599486308.db2.gz BPGPGWFGHRCUHG-UHFFFAOYSA-N -1 3 372.219 3.151 20 0 FGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000738178905 599493304 /nfs/dbraw/zinc/49/33/04/599493304.db2.gz NEDFAZXKCTVAJV-AWEZNQCLSA-N -1 3 366.400 3.102 20 0 FGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000738178905 599493307 /nfs/dbraw/zinc/49/33/07/599493307.db2.gz NEDFAZXKCTVAJV-AWEZNQCLSA-N -1 3 366.400 3.102 20 0 FGADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N[C@H]1CCc2cc(F)ccc21 ZINC000822337208 599493739 /nfs/dbraw/zinc/49/37/39/599493739.db2.gz VIPFRYQPUHFKAN-KRWDZBQOSA-N -1 3 360.396 3.384 20 0 FGADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N[C@H]1CCc2cc(F)ccc21 ZINC000822337208 599493741 /nfs/dbraw/zinc/49/37/41/599493741.db2.gz VIPFRYQPUHFKAN-KRWDZBQOSA-N -1 3 360.396 3.384 20 0 FGADHM O[C@@H](CNc1ccc(F)cc1-c1nnn[n-]1)c1ccccc1C(F)(F)F ZINC000823689552 599499676 /nfs/dbraw/zinc/49/96/76/599499676.db2.gz HQKMIFOVZYTSGG-AWEZNQCLSA-N -1 3 367.306 3.170 20 0 FGADHM O[C@@H](CNc1ccc(F)cc1-c1nn[n-]n1)c1ccccc1C(F)(F)F ZINC000823689552 599499678 /nfs/dbraw/zinc/49/96/78/599499678.db2.gz HQKMIFOVZYTSGG-AWEZNQCLSA-N -1 3 367.306 3.170 20 0 FGADHM Cc1cccc(C(C)(C)NC(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737385055 599503085 /nfs/dbraw/zinc/50/30/85/599503085.db2.gz RCVGGARHLUANJT-AWEZNQCLSA-N -1 3 364.453 3.471 20 0 FGADHM Cc1cccc(C(C)(C)NC(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737385055 599503087 /nfs/dbraw/zinc/50/30/87/599503087.db2.gz RCVGGARHLUANJT-AWEZNQCLSA-N -1 3 364.453 3.471 20 0 FGADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)N1CCCCC[C@H]1c1ccco1 ZINC000738116629 599505409 /nfs/dbraw/zinc/50/54/09/599505409.db2.gz JVBDCLBMRZTLJN-INIZCTEOSA-N -1 3 366.425 3.287 20 0 FGADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)N1CCCCC[C@H]1c1ccco1 ZINC000738116629 599505412 /nfs/dbraw/zinc/50/54/12/599505412.db2.gz JVBDCLBMRZTLJN-INIZCTEOSA-N -1 3 366.425 3.287 20 0 FGADHM C[C@H](NC(=O)C[C@@H]1CCOc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820323840 599506236 /nfs/dbraw/zinc/50/62/36/599506236.db2.gz ZKVUISRCQITKKW-ZFWWWQNUSA-N -1 3 363.421 3.000 20 0 FGADHM C[C@H](NC(=O)C[C@@H]1CCOc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820323840 599506239 /nfs/dbraw/zinc/50/62/39/599506239.db2.gz ZKVUISRCQITKKW-ZFWWWQNUSA-N -1 3 363.421 3.000 20 0 FGADHM Cc1cccc(OCCC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1C ZINC000822327732 599508283 /nfs/dbraw/zinc/50/82/83/599508283.db2.gz JNVOALUFMATWNF-OAHLLOKOSA-N -1 3 365.437 3.130 20 0 FGADHM Cc1cccc(OCCC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1C ZINC000822327732 599508286 /nfs/dbraw/zinc/50/82/86/599508286.db2.gz JNVOALUFMATWNF-OAHLLOKOSA-N -1 3 365.437 3.130 20 0 FGADHM CC(C)c1ccc(OCC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000820192803 599510589 /nfs/dbraw/zinc/51/05/89/599510589.db2.gz ZXKDMZSLZQROQB-CQSZACIVSA-N -1 3 365.437 3.246 20 0 FGADHM CC(C)c1ccc(OCC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000820192803 599510590 /nfs/dbraw/zinc/51/05/90/599510590.db2.gz ZXKDMZSLZQROQB-CQSZACIVSA-N -1 3 365.437 3.246 20 0 FGADHM CN(C[C@@H]1OCCc2ccccc21)c1c(-c2nnn[n-]2)cnc2ccccc21 ZINC000821597607 599514456 /nfs/dbraw/zinc/51/44/56/599514456.db2.gz BAPSTMHDHONBAB-IBGZPJMESA-N -1 3 372.432 3.165 20 0 FGADHM CN(C[C@@H]1OCCc2ccccc21)c1c(-c2nn[n-]n2)cnc2ccccc21 ZINC000821597607 599514457 /nfs/dbraw/zinc/51/44/57/599514457.db2.gz BAPSTMHDHONBAB-IBGZPJMESA-N -1 3 372.432 3.165 20 0 FGADHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)c1cc2occc2s1 ZINC000736041360 599516024 /nfs/dbraw/zinc/51/60/24/599516024.db2.gz WAMZGIILMFREHO-SNVBAGLBSA-N -1 3 370.390 3.299 20 0 FGADHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)c1cc2occc2s1 ZINC000736041360 599516026 /nfs/dbraw/zinc/51/60/26/599516026.db2.gz WAMZGIILMFREHO-SNVBAGLBSA-N -1 3 370.390 3.299 20 0 FGADHM C[C@H](NC(=O)CCOc1ccccc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000820329660 599516627 /nfs/dbraw/zinc/51/66/27/599516627.db2.gz YFFUUYHRXDNKCO-LBPRGKRZSA-N -1 3 371.828 3.166 20 0 FGADHM C[C@H](NC(=O)CCOc1ccccc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000820329660 599516630 /nfs/dbraw/zinc/51/66/30/599516630.db2.gz YFFUUYHRXDNKCO-LBPRGKRZSA-N -1 3 371.828 3.166 20 0 FGADHM O=C(c1ccc(F)cc1)[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000738268726 599534315 /nfs/dbraw/zinc/53/43/15/599534315.db2.gz RSZYORQSYZJVCW-AWEZNQCLSA-N -1 3 369.375 3.244 20 0 FGADHM C[C@H](NC(=O)c1cc2ccc(Cl)cc2[nH]1)c1cccc(-c2nnn[n-]2)c1 ZINC000820390793 599537314 /nfs/dbraw/zinc/53/73/14/599537314.db2.gz KQNUVLNHVPWIRG-JTQLQIEISA-N -1 3 366.812 3.492 20 0 FGADHM C[C@H](NC(=O)c1cc2ccc(Cl)cc2[nH]1)c1cccc(-c2nn[n-]n2)c1 ZINC000820390793 599537317 /nfs/dbraw/zinc/53/73/17/599537317.db2.gz KQNUVLNHVPWIRG-JTQLQIEISA-N -1 3 366.812 3.492 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@@H](C)Cc1ccccc1F ZINC000736627120 599538925 /nfs/dbraw/zinc/53/89/25/599538925.db2.gz LNAFVLFHHXVGHL-LBPRGKRZSA-N -1 3 370.384 3.189 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@@H](C)Cc1ccccc1F ZINC000736627120 599538928 /nfs/dbraw/zinc/53/89/28/599538928.db2.gz LNAFVLFHHXVGHL-LBPRGKRZSA-N -1 3 370.384 3.189 20 0 FGADHM C[C@H](C(=O)NCCSCc1ccccc1-c1nnn[n-]1)c1ccsc1 ZINC000735547735 599541443 /nfs/dbraw/zinc/54/14/43/599541443.db2.gz RSAJAVHLOXWVBF-LBPRGKRZSA-N -1 3 373.507 3.081 20 0 FGADHM C[C@H](C(=O)NCCSCc1ccccc1-c1nn[n-]n1)c1ccsc1 ZINC000735547735 599541444 /nfs/dbraw/zinc/54/14/44/599541444.db2.gz RSAJAVHLOXWVBF-LBPRGKRZSA-N -1 3 373.507 3.081 20 0 FGADHM O[C@H](c1ccc(F)cc1)C1CCN(c2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000823696644 599545531 /nfs/dbraw/zinc/54/55/31/599545531.db2.gz FZAWHGILARSMBE-GOSISDBHSA-N -1 3 371.391 3.095 20 0 FGADHM O[C@H](c1ccc(F)cc1)C1CCN(c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000823696644 599545533 /nfs/dbraw/zinc/54/55/33/599545533.db2.gz FZAWHGILARSMBE-GOSISDBHSA-N -1 3 371.391 3.095 20 0 FGADHM Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)c2sccc2-c2nnn[n-]2)C1 ZINC000737420025 599549294 /nfs/dbraw/zinc/54/92/94/599549294.db2.gz GSWCRPAOEYJGIF-CHWSQXEVSA-N -1 3 353.451 3.255 20 0 FGADHM Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)c2sccc2-c2nn[n-]n2)C1 ZINC000737420025 599549296 /nfs/dbraw/zinc/54/92/96/599549296.db2.gz GSWCRPAOEYJGIF-CHWSQXEVSA-N -1 3 353.451 3.255 20 0 FGADHM C[C@@H]1CCC[C@H](C)N(C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)C1 ZINC000820689713 599549930 /nfs/dbraw/zinc/54/99/30/599549930.db2.gz BRZLBRLDWDRPLP-OLZOCXBDSA-N -1 3 359.478 3.466 20 0 FGADHM C[C@@H]1CCC[C@H](C)N(C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)C1 ZINC000820689713 599549933 /nfs/dbraw/zinc/54/99/33/599549933.db2.gz BRZLBRLDWDRPLP-OLZOCXBDSA-N -1 3 359.478 3.466 20 0 FGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N1CC[C@H]1c1ccc(Cl)cc1 ZINC000823359817 599554031 /nfs/dbraw/zinc/55/40/31/599554031.db2.gz SVLWUNJJWASDFG-HNNXBMFYSA-N -1 3 354.801 3.499 20 0 FGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N1CC[C@H]1c1ccc(Cl)cc1 ZINC000823359817 599554033 /nfs/dbraw/zinc/55/40/33/599554033.db2.gz SVLWUNJJWASDFG-HNNXBMFYSA-N -1 3 354.801 3.499 20 0 FGADHM CC(C)Oc1ccc([C@@H](O)CNc2c(Cl)cccc2-c2nnn[n-]2)cc1 ZINC000820155235 599561078 /nfs/dbraw/zinc/56/10/78/599561078.db2.gz LPCQDDIDSADJJS-INIZCTEOSA-N -1 3 373.844 3.453 20 0 FGADHM CC(C)Oc1ccc([C@@H](O)CNc2c(Cl)cccc2-c2nn[n-]n2)cc1 ZINC000820155235 599561082 /nfs/dbraw/zinc/56/10/82/599561082.db2.gz LPCQDDIDSADJJS-INIZCTEOSA-N -1 3 373.844 3.453 20 0 FGADHM Cc1ccc(N[C@@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1F ZINC000737359940 599562690 /nfs/dbraw/zinc/56/26/90/599562690.db2.gz ITEAMANSMOCVRF-JTQLQIEISA-N -1 3 374.807 3.407 20 0 FGADHM Cc1ccc(N[C@@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1F ZINC000737359940 599562692 /nfs/dbraw/zinc/56/26/92/599562692.db2.gz ITEAMANSMOCVRF-JTQLQIEISA-N -1 3 374.807 3.407 20 0 FGADHM CCO[C@H](C)c1nc(CN(C)Cc2ccccc2-c2nnn[n-]2)cs1 ZINC000821347563 599583158 /nfs/dbraw/zinc/58/31/58/599583158.db2.gz YDWMYANNKOOALC-GFCCVEGCSA-N -1 3 358.471 3.053 20 0 FGADHM CCO[C@H](C)c1nc(CN(C)Cc2ccccc2-c2nn[n-]n2)cs1 ZINC000821347563 599583160 /nfs/dbraw/zinc/58/31/60/599583160.db2.gz YDWMYANNKOOALC-GFCCVEGCSA-N -1 3 358.471 3.053 20 0 FGADHM C[C@H]1c2c(F)cccc2CCN1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736301491 599599471 /nfs/dbraw/zinc/59/94/71/599599471.db2.gz NTFKJRAQQAYPNC-NSHDSACASA-N -1 3 352.373 3.157 20 0 FGADHM C[C@H]1c2c(F)cccc2CCN1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736301491 599599473 /nfs/dbraw/zinc/59/94/73/599599473.db2.gz NTFKJRAQQAYPNC-NSHDSACASA-N -1 3 352.373 3.157 20 0 FGADHM C[C@H]1c2ccc(F)cc2CCN1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000736303015 599599534 /nfs/dbraw/zinc/59/95/34/599599534.db2.gz RJUFZRAYZFHUSK-NSHDSACASA-N -1 3 352.373 3.157 20 0 FGADHM C[C@H]1c2ccc(F)cc2CCN1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000736303015 599599535 /nfs/dbraw/zinc/59/95/35/599599535.db2.gz RJUFZRAYZFHUSK-NSHDSACASA-N -1 3 352.373 3.157 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCc2cccc(F)c2[C@H]1C ZINC000737290815 599611000 /nfs/dbraw/zinc/61/10/00/599611000.db2.gz GJLKVRMBMJWLFB-GFCCVEGCSA-N -1 3 366.400 3.465 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCc2cccc(F)c2[C@H]1C ZINC000737290815 599611002 /nfs/dbraw/zinc/61/10/02/599611002.db2.gz GJLKVRMBMJWLFB-GFCCVEGCSA-N -1 3 366.400 3.465 20 0 FGADHM Cc1ccc(C[C@@H](C)N(C)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000737334680 599612140 /nfs/dbraw/zinc/61/21/40/599612140.db2.gz LOFVQQUNHRGQKP-CYBMUJFWSA-N -1 3 368.416 3.409 20 0 FGADHM Cc1ccc(C[C@@H](C)N(C)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000737334680 599612141 /nfs/dbraw/zinc/61/21/41/599612141.db2.gz LOFVQQUNHRGQKP-CYBMUJFWSA-N -1 3 368.416 3.409 20 0 FGADHM C[C@H](Cc1ccccc1F)C(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000736056636 599617704 /nfs/dbraw/zinc/61/77/04/599617704.db2.gz BXOCQHZHNPBMDD-OLZOCXBDSA-N -1 3 354.385 3.489 20 0 FGADHM C[C@H](Cc1ccccc1F)C(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000736056636 599617706 /nfs/dbraw/zinc/61/77/06/599617706.db2.gz BXOCQHZHNPBMDD-OLZOCXBDSA-N -1 3 354.385 3.489 20 0 FGADHM C[C@H](OC(=O)[C@@H]1C[C@]12CCc1ccccc12)c1cccc(-c2nnn[n-]2)c1 ZINC000820489023 599621286 /nfs/dbraw/zinc/62/12/86/599621286.db2.gz YEDHXIDSJUZANU-FPSMJMQUSA-N -1 3 360.417 3.375 20 0 FGADHM C[C@H](OC(=O)[C@@H]1C[C@]12CCc1ccccc12)c1cccc(-c2nn[n-]n2)c1 ZINC000820489023 599621287 /nfs/dbraw/zinc/62/12/87/599621287.db2.gz YEDHXIDSJUZANU-FPSMJMQUSA-N -1 3 360.417 3.375 20 0 FGADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1)[C@@H]1CCSc2ccccc21 ZINC000823417933 599623462 /nfs/dbraw/zinc/62/34/62/599623462.db2.gz LVURANMXRMEJAL-OAHLLOKOSA-N -1 3 352.419 3.190 20 0 FGADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCSc2ccccc21 ZINC000823417933 599623463 /nfs/dbraw/zinc/62/34/63/599623463.db2.gz LVURANMXRMEJAL-OAHLLOKOSA-N -1 3 352.419 3.190 20 0 FGADHM C[C@@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@H](C)C2)C(F)(F)F ZINC000820728729 599628458 /nfs/dbraw/zinc/62/84/58/599628458.db2.gz XVTLLWACSQNWTN-BQBZGAKWSA-N -1 3 359.377 3.190 20 0 FGADHM C[C@@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@H](C)C2)C(F)(F)F ZINC000820728729 599628459 /nfs/dbraw/zinc/62/84/59/599628459.db2.gz XVTLLWACSQNWTN-BQBZGAKWSA-N -1 3 359.377 3.190 20 0 FGADHM C[C@H](C(=O)N(Cc1ccco1)c1ccccc1-c1nnn[n-]1)C(F)(F)F ZINC000819855817 599630227 /nfs/dbraw/zinc/63/02/27/599630227.db2.gz FSCHPNHABYBMJG-SNVBAGLBSA-N -1 3 365.315 3.191 20 0 FGADHM C[C@H](C(=O)N(Cc1ccco1)c1ccccc1-c1nn[n-]n1)C(F)(F)F ZINC000819855817 599630228 /nfs/dbraw/zinc/63/02/28/599630228.db2.gz FSCHPNHABYBMJG-SNVBAGLBSA-N -1 3 365.315 3.191 20 0 FGADHM C[C@H]1CC[C@@H](CCC(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)O1 ZINC000820689648 599632832 /nfs/dbraw/zinc/63/28/32/599632832.db2.gz ACTGIFDSNJAEFP-ONGXEEELSA-N -1 3 369.347 3.172 20 0 FGADHM C[C@H]1CC[C@@H](CCC(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)O1 ZINC000820689648 599632833 /nfs/dbraw/zinc/63/28/33/599632833.db2.gz ACTGIFDSNJAEFP-ONGXEEELSA-N -1 3 369.347 3.172 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)[C@@H]1Cc2ccccc21 ZINC000823303679 599634357 /nfs/dbraw/zinc/63/43/57/599634357.db2.gz QUCQBOGMTDQTAA-CYBMUJFWSA-N -1 3 359.311 3.164 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)[C@@H]1Cc2ccccc21 ZINC000823303679 599634358 /nfs/dbraw/zinc/63/43/58/599634358.db2.gz QUCQBOGMTDQTAA-CYBMUJFWSA-N -1 3 359.311 3.164 20 0 FGADHM Cc1cc(-c2nn[n-]n2)cc(C)c1OCc1nc([C@H](C)OCC(C)C)no1 ZINC000822136323 599646860 /nfs/dbraw/zinc/64/68/60/599646860.db2.gz LMDKYLQZSYBQQB-ZDUSSCGKSA-N -1 3 372.429 3.179 20 0 FGADHM Cc1ccc(SCCOC(=O)c2sccc2-c2nnn[n-]2)cc1C ZINC000822271085 599659662 /nfs/dbraw/zinc/65/96/62/599659662.db2.gz LRIFYQYTMRKQCQ-UHFFFAOYSA-N -1 3 360.464 3.494 20 0 FGADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1F)[C@@H]1CCSc2ccccc21 ZINC000823418870 599667602 /nfs/dbraw/zinc/66/76/02/599667602.db2.gz YAVFJZGVQLJTIJ-CQSZACIVSA-N -1 3 370.409 3.329 20 0 FGADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1F)[C@@H]1CCSc2ccccc21 ZINC000823418870 599667603 /nfs/dbraw/zinc/66/76/03/599667603.db2.gz YAVFJZGVQLJTIJ-CQSZACIVSA-N -1 3 370.409 3.329 20 0 FGADHM CC(C)(C)[C@@H]1CCCN(C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)CC1 ZINC000819908292 599679368 /nfs/dbraw/zinc/67/93/68/599679368.db2.gz ZKEWBZHLOSGQNO-OAHLLOKOSA-N -1 3 374.464 3.364 20 0 FGADHM CC(C)(C)[C@@H]1CCCN(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)CC1 ZINC000819908292 599679369 /nfs/dbraw/zinc/67/93/69/599679369.db2.gz ZKEWBZHLOSGQNO-OAHLLOKOSA-N -1 3 374.464 3.364 20 0 FGADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCC2)c1ccncc1Cl ZINC000823387320 599690439 /nfs/dbraw/zinc/69/04/39/599690439.db2.gz IHVHHLJFAHICJR-UHFFFAOYSA-N -1 3 360.830 3.108 20 0 FGADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCC2)c1ccncc1Cl ZINC000823387320 599690440 /nfs/dbraw/zinc/69/04/40/599690440.db2.gz IHVHHLJFAHICJR-UHFFFAOYSA-N -1 3 360.830 3.108 20 0 FGADHM CC(C)[C@@H](C(=O)Nc1cccc(CSCC(=O)[O-])c1)N1CCCCC1 ZINC000736348429 599753116 /nfs/dbraw/zinc/75/31/16/599753116.db2.gz AFVIZCDQOFVRGL-SFHVURJKSA-N -1 3 364.511 3.453 20 0 FGADHM O=C(Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1)[C@H]1CCCCO1 ZINC000823356034 607394449 /nfs/dbraw/zinc/39/44/49/607394449.db2.gz IQRTZCDEUALNSA-QGZVFWFLSA-N -1 3 365.393 3.167 20 0 FGADHM O=C(Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1)[C@H]1CCCCO1 ZINC000823356034 607394450 /nfs/dbraw/zinc/39/44/50/607394450.db2.gz IQRTZCDEUALNSA-QGZVFWFLSA-N -1 3 365.393 3.167 20 0 FGADHM Cc1ccc(C(=O)[O-])cc1NC(=O)CN[C@]1(C)CCCc2ccccc21 ZINC000738530674 599803402 /nfs/dbraw/zinc/80/34/02/599803402.db2.gz GNMCZROSCSNEJC-OAQYLSRUSA-N -1 3 352.434 3.473 20 0 FGADHM Cn1ccc2ccc(NC(=O)NC3(c4cccc(-c5nnn[n-]5)c4)CC3)cc21 ZINC000826363204 607395164 /nfs/dbraw/zinc/39/51/64/607395164.db2.gz CEPUIXADDMIRPP-UHFFFAOYSA-N -1 3 373.420 3.169 20 0 FGADHM Cn1ccc2ccc(NC(=O)NC3(c4cccc(-c5nn[n-]n5)c4)CC3)cc21 ZINC000826363204 607395166 /nfs/dbraw/zinc/39/51/66/607395166.db2.gz CEPUIXADDMIRPP-UHFFFAOYSA-N -1 3 373.420 3.169 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)Cc1cccc(OC(C)C)c1 ZINC000826254203 607405248 /nfs/dbraw/zinc/40/52/48/607405248.db2.gz ZOVOQDIZBJUHRX-UHFFFAOYSA-N -1 3 366.421 3.248 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)Cc1cccc(OC(C)C)c1 ZINC000826254203 607405250 /nfs/dbraw/zinc/40/52/50/607405250.db2.gz ZOVOQDIZBJUHRX-UHFFFAOYSA-N -1 3 366.421 3.248 20 0 FGADHM Cc1ccc(NC(=O)NC[C@H]2CCCN(Cc3occc3C(=O)[O-])C2)cc1 ZINC000738624406 599955904 /nfs/dbraw/zinc/95/59/04/599955904.db2.gz HRYDQDWXICFEFV-OAHLLOKOSA-N -1 3 371.437 3.320 20 0 FGADHM COc1ccc2cc(C(=O)OCc3ccc(-c4nnn[n-]4)cc3C)[nH]c2c1 ZINC000826213522 607409035 /nfs/dbraw/zinc/40/90/35/607409035.db2.gz ZUFORUGRGIYZNB-UHFFFAOYSA-N -1 3 363.377 3.022 20 0 FGADHM COc1ccc2cc(C(=O)OCc3ccc(-c4nn[n-]n4)cc3C)[nH]c2c1 ZINC000826213522 607409036 /nfs/dbraw/zinc/40/90/36/607409036.db2.gz ZUFORUGRGIYZNB-UHFFFAOYSA-N -1 3 363.377 3.022 20 0 FGADHM CS[C@H](C(=O)OCc1ccc(-c2nnn[n-]2)cc1C)c1ccccc1 ZINC000826224712 607410637 /nfs/dbraw/zinc/41/06/37/607410637.db2.gz KMTKQUWHKPJFRB-INIZCTEOSA-N -1 3 354.435 3.323 20 0 FGADHM CS[C@H](C(=O)OCc1ccc(-c2nn[n-]n2)cc1C)c1ccccc1 ZINC000826224712 607410639 /nfs/dbraw/zinc/41/06/39/607410639.db2.gz KMTKQUWHKPJFRB-INIZCTEOSA-N -1 3 354.435 3.323 20 0 FGADHM O=C(Cc1ccc2c(c1)CCCC2)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826422587 607414784 /nfs/dbraw/zinc/41/47/84/607414784.db2.gz FFWBTCPCPIPMQZ-UHFFFAOYSA-N -1 3 373.460 3.094 20 0 FGADHM O=C(Cc1ccc2c(c1)CCCC2)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826422587 607414785 /nfs/dbraw/zinc/41/47/85/607414785.db2.gz FFWBTCPCPIPMQZ-UHFFFAOYSA-N -1 3 373.460 3.094 20 0 FGADHM COc1ccc(CN(C)C)cc1NC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000737995392 600038731 /nfs/dbraw/zinc/03/87/31/600038731.db2.gz RDEOZCXORGYJHL-UHFFFAOYSA-N -1 3 356.422 3.026 20 0 FGADHM COc1ccc([C@H](NCC(=O)Nc2ccccc2C(=O)[O-])C(C)C)cc1 ZINC000737969354 600048644 /nfs/dbraw/zinc/04/86/44/600048644.db2.gz FYJLHKXLQHNKDY-LJQANCHMSA-N -1 3 356.422 3.319 20 0 FGADHM O=C(/C=C/SCc1ccco1)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826399745 607416477 /nfs/dbraw/zinc/41/64/77/607416477.db2.gz DUJIYNJOSYXSBN-UXBLZVDNSA-N -1 3 367.434 3.012 20 0 FGADHM O=C(/C=C/SCc1ccco1)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826399745 607416478 /nfs/dbraw/zinc/41/64/78/607416478.db2.gz DUJIYNJOSYXSBN-UXBLZVDNSA-N -1 3 367.434 3.012 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)c1cc2occc2s1 ZINC000821745115 607418172 /nfs/dbraw/zinc/41/81/72/607418172.db2.gz FKPPGEKAKMOLDZ-UHFFFAOYSA-N -1 3 356.363 3.040 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)c1cc2occc2s1 ZINC000821745115 607418174 /nfs/dbraw/zinc/41/81/74/607418174.db2.gz FKPPGEKAKMOLDZ-UHFFFAOYSA-N -1 3 356.363 3.040 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)C(C)=Cc1ccc(F)cc1 ZINC000821736082 607419771 /nfs/dbraw/zinc/41/97/71/607419771.db2.gz AJFOQHLUPRPIEV-FMIVXFBMSA-N -1 3 368.368 3.161 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)C(C)=Cc1ccc(F)cc1 ZINC000821736082 607419773 /nfs/dbraw/zinc/41/97/73/607419773.db2.gz AJFOQHLUPRPIEV-FMIVXFBMSA-N -1 3 368.368 3.161 20 0 FGADHM O=C(NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1cccc(Cl)c1F ZINC000826428299 607420162 /nfs/dbraw/zinc/42/01/62/607420162.db2.gz WTPZJEMTVHEDOK-UHFFFAOYSA-N -1 3 357.776 3.078 20 0 FGADHM O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1cccc(Cl)c1F ZINC000826428299 607420164 /nfs/dbraw/zinc/42/01/64/607420164.db2.gz WTPZJEMTVHEDOK-UHFFFAOYSA-N -1 3 357.776 3.078 20 0 FGADHM O=C(NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1cccc(F)c1Cl ZINC000826427961 607424853 /nfs/dbraw/zinc/42/48/53/607424853.db2.gz IZOWGTPFYSHPJJ-UHFFFAOYSA-N -1 3 357.776 3.078 20 0 FGADHM O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1cccc(F)c1Cl ZINC000826427961 607424854 /nfs/dbraw/zinc/42/48/54/607424854.db2.gz IZOWGTPFYSHPJJ-UHFFFAOYSA-N -1 3 357.776 3.078 20 0 FGADHM CC(C)Oc1ccc(NC(=O)NCc2cccs2)cc1-c1nnn[n-]1 ZINC000820169077 607427888 /nfs/dbraw/zinc/42/78/88/607427888.db2.gz DQDCQTSOODJIAB-UHFFFAOYSA-N -1 3 358.427 3.037 20 0 FGADHM CC(C)Oc1ccc(NC(=O)NCc2cccs2)cc1-c1nn[n-]n1 ZINC000820169077 607427889 /nfs/dbraw/zinc/42/78/89/607427889.db2.gz DQDCQTSOODJIAB-UHFFFAOYSA-N -1 3 358.427 3.037 20 0 FGADHM CC(C)N(CCC(=O)[O-])CC(=O)N1CC[C@H](C)Sc2ccccc21 ZINC000736792696 600223872 /nfs/dbraw/zinc/22/38/72/600223872.db2.gz YEVFGLKIQGBLSQ-AWEZNQCLSA-N -1 3 350.484 3.089 20 0 FGADHM COc1ccc2nc(C)c(C(=O)N(C)c3ccc(-c4nnn[n-]4)cc3)cc2c1 ZINC000826213724 607433854 /nfs/dbraw/zinc/43/38/54/607433854.db2.gz JSXBXGKTOQGJAY-UHFFFAOYSA-N -1 3 374.404 3.009 20 0 FGADHM COc1ccc2nc(C)c(C(=O)N(C)c3ccc(-c4nn[n-]n4)cc3)cc2c1 ZINC000826213724 607433856 /nfs/dbraw/zinc/43/38/56/607433856.db2.gz JSXBXGKTOQGJAY-UHFFFAOYSA-N -1 3 374.404 3.009 20 0 FGADHM C[C@@H](CNC(=O)N(C)Cc1ccc(C(=O)[O-])cc1)N(C)Cc1ccccc1 ZINC000390613041 600358020 /nfs/dbraw/zinc/35/80/20/600358020.db2.gz FRELIGRRNDSPRD-INIZCTEOSA-N -1 3 369.465 3.047 20 0 FGADHM Cc1cc(O[C@@H](C)C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)ccc1Cl ZINC000826271919 607439082 /nfs/dbraw/zinc/43/90/82/607439082.db2.gz MVESVFPHKCRHTG-LBPRGKRZSA-N -1 3 371.828 3.259 20 0 FGADHM Cc1cc(O[C@@H](C)C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)ccc1Cl ZINC000826271919 607439083 /nfs/dbraw/zinc/43/90/83/607439083.db2.gz MVESVFPHKCRHTG-LBPRGKRZSA-N -1 3 371.828 3.259 20 0 FGADHM C[C@H](CNC(=O)Nc1ccc(CCC(=O)[O-])cc1)N(C)Cc1ccccc1 ZINC000390429009 600403058 /nfs/dbraw/zinc/40/30/58/600403058.db2.gz OBQLUACDZYYBQS-MRXNPFEDSA-N -1 3 369.465 3.346 20 0 FGADHM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)[C@H](C)N2CCCCCC2)cc1 ZINC000738198454 600408883 /nfs/dbraw/zinc/40/88/83/600408883.db2.gz DWPOGWJCKYHSKN-WMLDXEAASA-N -1 3 364.511 3.305 20 0 FGADHM Cc1cc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2C)c2ccccc2n1 ZINC000826261901 607444232 /nfs/dbraw/zinc/44/42/32/607444232.db2.gz XKWBRTYHBISUKS-UHFFFAOYSA-N -1 3 359.389 3.389 20 0 FGADHM Cc1cc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2C)c2ccccc2n1 ZINC000826261901 607444233 /nfs/dbraw/zinc/44/42/33/607444233.db2.gz XKWBRTYHBISUKS-UHFFFAOYSA-N -1 3 359.389 3.389 20 0 FGADHM CN(C)[C@@H](CNC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1)c1ccccc1 ZINC000737358296 600512328 /nfs/dbraw/zinc/51/23/28/600512328.db2.gz LDYAHYDEPPTANY-INIZCTEOSA-N -1 3 361.829 3.463 20 0 FGADHM CC[C@@H]1Oc2cc([C@H](C)N[C@@H](C(=O)[O-])c3ccccc3)ccc2NC1=O ZINC000829169508 600694943 /nfs/dbraw/zinc/69/49/43/600694943.db2.gz FCHIWUHJZBGYAC-ULFGMLNVSA-N -1 3 354.406 3.273 20 0 FGADHM CCC(CC)(CC)CNC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000825089878 607459758 /nfs/dbraw/zinc/45/97/58/607459758.db2.gz NZNGXIKWJNJLRP-UHFFFAOYSA-N -1 3 356.474 3.371 20 0 FGADHM CCC(CC)(CC)CNC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000825089878 607459759 /nfs/dbraw/zinc/45/97/59/607459759.db2.gz NZNGXIKWJNJLRP-UHFFFAOYSA-N -1 3 356.474 3.371 20 0 FGADHM Cc1cc(COC(=O)C2CCN(Cc3ccccc3)CC2)oc1C(=O)[O-] ZINC000738392322 600803396 /nfs/dbraw/zinc/80/33/96/600803396.db2.gz KLMOWGBRAQJWIW-UHFFFAOYSA-N -1 3 357.406 3.242 20 0 FGADHM C[C@H](C(=O)N(CCC(=O)[O-])Cc1cccc(F)c1F)N1CCCCCC1 ZINC000825977747 600813106 /nfs/dbraw/zinc/81/31/06/600813106.db2.gz NXYHVNLZOOANPF-CQSZACIVSA-N -1 3 368.424 3.033 20 0 FGADHM CCN1CCN(c2ccc(C(=O)Nc3cccc(C(=O)[O-])c3C)cc2)CC1 ZINC000829780583 600882385 /nfs/dbraw/zinc/88/23/85/600882385.db2.gz IKRUJCVTKHZCHM-UHFFFAOYSA-N -1 3 367.449 3.087 20 0 FGADHM O=C([O-])[C@@H]1CCC[C@H](C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)C1 ZINC000833182764 600926399 /nfs/dbraw/zinc/92/63/99/600926399.db2.gz GJISVRFYUNDBPD-OTWHNJEPSA-N -1 3 358.482 3.221 20 0 FGADHM CN(C)Cc1cccc(C(=O)N2C[C@H](C3CCCCC3)C[C@@H]2C(=O)[O-])c1 ZINC000830620224 600978561 /nfs/dbraw/zinc/97/85/61/600978561.db2.gz RSOHKMKNBQEZTO-RTBURBONSA-N -1 3 358.482 3.244 20 0 FGADHM Cc1[nH]c(C(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)c(C)c1C(=O)[O-] ZINC000832843480 600984167 /nfs/dbraw/zinc/98/41/67/600984167.db2.gz NDLFEZVQLHNGEG-KRWDZBQOSA-N -1 3 369.465 3.066 20 0 FGADHM O=C([O-])C1(NCc2csc(CC(=O)Nc3ccccc3)n2)CCCCC1 ZINC000772825256 601007863 /nfs/dbraw/zinc/00/78/63/601007863.db2.gz PRMSHKVFTYEXPT-UHFFFAOYSA-N -1 3 373.478 3.201 20 0 FGADHM CC(C)[C@H]1CN(C)CCN1Cc1csc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000826741799 601011368 /nfs/dbraw/zinc/01/13/68/601011368.db2.gz PDVKGQMHEXLLDB-QGZVFWFLSA-N -1 3 359.495 3.280 20 0 FGADHM CC(C)c1ccc(CN(C(=O)CN2CCC[C@H](C(=O)[O-])C2)C2CC2)cc1 ZINC000736513772 601032684 /nfs/dbraw/zinc/03/26/84/601032684.db2.gz HQZCMAVVKXLELB-SFHVURJKSA-N -1 3 358.482 3.098 20 0 FGADHM CCn1ncc2c1CCC[C@H]2NCc1cc(C)c(OCC(=O)[O-])c(C)c1 ZINC000737312997 601099583 /nfs/dbraw/zinc/09/95/83/601099583.db2.gz ZWXNRTBMWRFSHB-QGZVFWFLSA-N -1 3 357.454 3.150 20 0 FGADHM Fc1cc(-c2nnn[n-]2)ccc1CNc1ccc(N2CCCCC2)nc1 ZINC000822744683 607491957 /nfs/dbraw/zinc/49/19/57/607491957.db2.gz ZVOWBLMXZYARNV-UHFFFAOYSA-N -1 3 353.405 3.003 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1CNc1ccc(N2CCCCC2)nc1 ZINC000822744683 607491960 /nfs/dbraw/zinc/49/19/60/607491960.db2.gz ZVOWBLMXZYARNV-UHFFFAOYSA-N -1 3 353.405 3.003 20 0 FGADHM O=C([O-])CCN(Cc1ccc(Br)c(F)c1)C[C@@H]1CCCO1 ZINC000833233177 601169044 /nfs/dbraw/zinc/16/90/44/601169044.db2.gz FQRRAGZVRMRCGV-LBPRGKRZSA-N -1 3 360.223 3.044 20 0 FGADHM CC1(OCC(=O)Nc2sc(-c3ccccc3)cc2-c2nnn[n-]2)CCC1 ZINC000820629360 607499032 /nfs/dbraw/zinc/49/90/32/607499032.db2.gz WVUYMRARXQOCFE-UHFFFAOYSA-N -1 3 369.450 3.493 20 0 FGADHM CC1(OCC(=O)Nc2sc(-c3ccccc3)cc2-c2nn[n-]n2)CCC1 ZINC000820629360 607499034 /nfs/dbraw/zinc/49/90/34/607499034.db2.gz WVUYMRARXQOCFE-UHFFFAOYSA-N -1 3 369.450 3.493 20 0 FGADHM C[C@@H]1CN(Cc2ncc(-c3ccc(Br)cc3)o2)C[C@@H]1C(=O)[O-] ZINC000828464303 601531641 /nfs/dbraw/zinc/53/16/41/601531641.db2.gz TYQPXODAKPNKJQ-MFKMUULPSA-N -1 3 365.227 3.257 20 0 FGADHM C[C@H]1CN(Cc2cc(Cl)ccc2OCc2cccnc2)C[C@H]1C(=O)[O-] ZINC000828457583 601535458 /nfs/dbraw/zinc/53/54/58/601535458.db2.gz UXHBTXLPCMCHHL-SUMWQHHRSA-N -1 3 360.841 3.467 20 0 FGADHM C/C(=C/C(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1)C(C)(C)C ZINC000825716342 601730307 /nfs/dbraw/zinc/73/03/07/601730307.db2.gz CUHZZUOGIKYBPX-QTIWRUEGSA-N -1 3 358.482 3.214 20 0 FGADHM O=C([O-])[C@@]1(NC(=O)C2CCCCCC2)CCCN(Cc2ccccc2)C1 ZINC000833128695 601735450 /nfs/dbraw/zinc/73/54/50/601735450.db2.gz LXYXKBSZZBXUOK-OAQYLSRUSA-N -1 3 358.482 3.192 20 0 FGADHM O=C([O-])CCCc1csc(NC(=O)c2cccc(CN3CCCC3)c2)n1 ZINC000833229413 601784528 /nfs/dbraw/zinc/78/45/28/601784528.db2.gz GFZMMQAABCTFRQ-UHFFFAOYSA-N -1 3 373.478 3.399 20 0 FGADHM Cc1ccc(C(=O)[O-])cc1NC(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000397998306 601881941 /nfs/dbraw/zinc/88/19/41/601881941.db2.gz UPHPJZYUIPPNIU-QAPCUYQASA-N -1 3 367.449 3.478 20 0 FGADHM CN(C[C@@H](O)c1ccccc1F)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830714783 601904426 /nfs/dbraw/zinc/90/44/26/601904426.db2.gz YMEQEOKXGVTWFA-ZBFHGGJFSA-N -1 3 357.303 3.034 20 0 FGADHM FC(F)Oc1cc(-c2nnn[n-]2)ccc1CSCc1nccs1 ZINC000826369998 607536480 /nfs/dbraw/zinc/53/64/80/607536480.db2.gz ZLIOFIHLGWEMAW-UHFFFAOYSA-N -1 3 355.395 3.358 20 0 FGADHM FC(F)Oc1cc(-c2nn[n-]n2)ccc1CSCc1nccs1 ZINC000826369998 607536482 /nfs/dbraw/zinc/53/64/82/607536482.db2.gz ZLIOFIHLGWEMAW-UHFFFAOYSA-N -1 3 355.395 3.358 20 0 FGADHM O=C([O-])NC[C@H]1CCN(Cc2cccc(C(=O)Nc3ccccc3)c2)C1 ZINC000740645999 601939565 /nfs/dbraw/zinc/93/95/65/601939565.db2.gz IRFNNDYRDWBWFB-MRXNPFEDSA-N -1 3 353.422 3.028 20 0 FGADHM C[C@H](CNC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1)N1CCCCC1 ZINC000827497815 601984427 /nfs/dbraw/zinc/98/44/27/601984427.db2.gz ULHIPFCFICACIV-LLVKDONJSA-N -1 3 373.375 3.400 20 0 FGADHM Cc1ccc(-c2n[nH]cc2CNCc2ccc(CCNC(=O)[O-])cc2)o1 ZINC000740093844 602003608 /nfs/dbraw/zinc/00/36/08/602003608.db2.gz AURARSPYGMYTOX-UHFFFAOYSA-N -1 3 354.410 3.078 20 0 FGADHM C[C@@H]1C[C@@H](NC(=O)Nc2ccc(F)c(C(=O)[O-])c2)CN1Cc1ccccc1 ZINC000398214754 602032825 /nfs/dbraw/zinc/03/28/25/602032825.db2.gz UMFLSCABCJLZCO-CZUORRHYSA-N -1 3 371.412 3.308 20 0 FGADHM C[C@H](CCC(=O)NCc1cc(-c2nnn[n-]2)ccc1F)c1ccccc1 ZINC000824400927 607540729 /nfs/dbraw/zinc/54/07/29/607540729.db2.gz MUQXXMQTAHENNJ-CYBMUJFWSA-N -1 3 353.401 3.206 20 0 FGADHM C[C@H](CCC(=O)NCc1cc(-c2nn[n-]n2)ccc1F)c1ccccc1 ZINC000824400927 607540731 /nfs/dbraw/zinc/54/07/31/607540731.db2.gz MUQXXMQTAHENNJ-CYBMUJFWSA-N -1 3 353.401 3.206 20 0 FGADHM Cn1cc([C@@H]2CCN([C@H](C(=O)[O-])c3cc(Cl)cc(Cl)c3)C2)cn1 ZINC000833042838 602044794 /nfs/dbraw/zinc/04/47/94/602044794.db2.gz BSZAQCLBXDXAQM-BMIGLBTASA-N -1 3 354.237 3.342 20 0 FGADHM O=C([O-])c1cccc(CNC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)c1 ZINC000678934010 602057409 /nfs/dbraw/zinc/05/74/09/602057409.db2.gz ZCBRUGXFCGZEEF-GOSISDBHSA-N -1 3 370.424 3.052 20 0 FGADHM C[C@@H](CNC(=O)OC(C)(C)C)CNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000824421763 607542318 /nfs/dbraw/zinc/54/23/18/607542318.db2.gz UYMVEZBMHLWMGI-SNVBAGLBSA-N -1 3 366.853 3.093 20 0 FGADHM C[C@@H](CNC(=O)OC(C)(C)C)CNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000824421763 607542319 /nfs/dbraw/zinc/54/23/19/607542319.db2.gz UYMVEZBMHLWMGI-SNVBAGLBSA-N -1 3 366.853 3.093 20 0 FGADHM C[C@H](NC(=O)[O-])[C@H]1CCCCN1C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000738999557 602260961 /nfs/dbraw/zinc/26/09/61/602260961.db2.gz FLQWWALDPAVSRV-GLQYFDAESA-N -1 3 360.376 3.249 20 0 FGADHM CCC[C@H](O)CC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000825248100 607557421 /nfs/dbraw/zinc/55/74/21/607557421.db2.gz NVFCREVFYDJDLW-HNNXBMFYSA-N -1 3 367.409 3.149 20 0 FGADHM CCC[C@H](O)CC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000825248100 607557425 /nfs/dbraw/zinc/55/74/25/607557425.db2.gz NVFCREVFYDJDLW-HNNXBMFYSA-N -1 3 367.409 3.149 20 0 FGADHM Cc1nn(C)c(N(C)C)c1CNC[C@H](NC(=O)[O-])c1ccc(C(C)C)cc1 ZINC000740245026 602335776 /nfs/dbraw/zinc/33/57/76/602335776.db2.gz DUTYLRYEPDVCJW-SFHVURJKSA-N -1 3 373.501 3.016 20 0 FGADHM O=C([O-])N[C@H](C(=O)NC[C@H](c1cccs1)N1CCCC1)c1ccccc1 ZINC000740689101 602351816 /nfs/dbraw/zinc/35/18/16/602351816.db2.gz GKZPVETVBRQAJU-WBVHZDCISA-N -1 3 373.478 3.010 20 0 FGADHM CN(C(=O)Nc1cc(C(=O)[O-])ccc1F)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000380799528 602363182 /nfs/dbraw/zinc/36/31/82/602363182.db2.gz YEORBIOKWQHXRY-MRXNPFEDSA-N -1 3 371.412 3.262 20 0 FGADHM CCC(CC)[C@@H](CCNC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)OC ZINC000825096974 607563185 /nfs/dbraw/zinc/56/31/85/607563185.db2.gz RNAASMAYCYTKGE-SUMWQHHRSA-N -1 3 374.489 3.068 20 0 FGADHM CCC(CC)[C@@H](CCNC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)OC ZINC000825096974 607563188 /nfs/dbraw/zinc/56/31/88/607563188.db2.gz RNAASMAYCYTKGE-SUMWQHHRSA-N -1 3 374.489 3.068 20 0 FGADHM CCC(CC)[C@H](CCNC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)OC ZINC000825095115 607565430 /nfs/dbraw/zinc/56/54/30/607565430.db2.gz DGSUVVGVVJYGNU-GUYCJALGSA-N -1 3 374.489 3.068 20 0 FGADHM CCC(CC)[C@H](CCNC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)OC ZINC000825095115 607565432 /nfs/dbraw/zinc/56/54/32/607565432.db2.gz DGSUVVGVVJYGNU-GUYCJALGSA-N -1 3 374.489 3.068 20 0 FGADHM Cc1ccc2c(CN3CCC([C@@H](C)NC(=O)[O-])CC3)cc(=O)oc2c1C ZINC000740154627 602450720 /nfs/dbraw/zinc/45/07/20/602450720.db2.gz ONTWUJHXZNCUQD-CQSZACIVSA-N -1 3 358.438 3.278 20 0 FGADHM CN(C[C@@H]1CCN(Cc2cccc(C(=O)Nc3ccccc3)c2)C1)C(=O)[O-] ZINC000739667101 602543549 /nfs/dbraw/zinc/54/35/49/602543549.db2.gz VQHZLLRHYKENLK-KRWDZBQOSA-N -1 3 367.449 3.371 20 0 FGADHM CC[C@@H](SC)C(=O)Nc1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000825158817 607573900 /nfs/dbraw/zinc/57/39/00/607573900.db2.gz AVEXDYVVBHNNAW-GFCCVEGCSA-N -1 3 360.468 3.070 20 0 FGADHM CC[C@@H](SC)C(=O)Nc1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000825158817 607573901 /nfs/dbraw/zinc/57/39/01/607573901.db2.gz AVEXDYVVBHNNAW-GFCCVEGCSA-N -1 3 360.468 3.070 20 0 FGADHM C[C@@H](CNC(=O)Nc1ccc(NC(=O)[O-])cc1)N(C)Cc1ccccc1 ZINC000736598826 602605600 /nfs/dbraw/zinc/60/56/00/602605600.db2.gz OVZRTJVLFFMQMN-AWEZNQCLSA-N -1 3 356.426 3.419 20 0 FGADHM Cc1nn(C)c(Oc2ccccc2)c1CNCC[C@H]1CCN(C(=O)[O-])C1 ZINC000740246959 602687105 /nfs/dbraw/zinc/68/71/05/602687105.db2.gz SHDIQLHPECFSSC-HNNXBMFYSA-N -1 3 358.442 3.000 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)c1cc(-c2ccccc2)ns1 ZINC000826454409 607589744 /nfs/dbraw/zinc/58/97/44/607589744.db2.gz VKYRUKNAUXNSBM-UHFFFAOYSA-N -1 3 366.381 3.382 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)c1cc(-c2ccccc2)ns1 ZINC000826454409 607589745 /nfs/dbraw/zinc/58/97/45/607589745.db2.gz VKYRUKNAUXNSBM-UHFFFAOYSA-N -1 3 366.381 3.382 20 0 FGADHM COc1ccc(COC(=O)CCc2cccc(Cl)c2)cc1-c1nnn[n-]1 ZINC000826204892 607598506 /nfs/dbraw/zinc/59/85/06/607598506.db2.gz BZGUDSJSDDXSLW-UHFFFAOYSA-N -1 3 372.812 3.205 20 0 FGADHM COc1ccc(COC(=O)CCc2cccc(Cl)c2)cc1-c1nn[n-]n1 ZINC000826204892 607598507 /nfs/dbraw/zinc/59/85/07/607598507.db2.gz BZGUDSJSDDXSLW-UHFFFAOYSA-N -1 3 372.812 3.205 20 0 FGADHM O=C([O-])NC[C@@H](NCc1ccc(Br)cn1)C1CCCCC1 ZINC000740615153 603036959 /nfs/dbraw/zinc/03/69/59/603036959.db2.gz VUBIBSHPDMRUIR-CQSZACIVSA-N -1 3 356.264 3.150 20 0 FGADHM CCc1cccc(C)c1NC(=O)NCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000825717685 607615229 /nfs/dbraw/zinc/61/52/29/607615229.db2.gz OICUXIQULRJOJK-UHFFFAOYSA-N -1 3 366.425 3.068 20 0 FGADHM CCc1cccc(C)c1NC(=O)NCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000825717685 607615231 /nfs/dbraw/zinc/61/52/31/607615231.db2.gz OICUXIQULRJOJK-UHFFFAOYSA-N -1 3 366.425 3.068 20 0 FGADHM CC1CCN([C@H](CNC(=O)[C@@H]2CC[C@H](NC(=O)[O-])C2)c2ccccc2)CC1 ZINC000825945761 603507956 /nfs/dbraw/zinc/50/79/56/603507956.db2.gz ZMVJUHWQBDEHJV-CEXWTWQISA-N -1 3 373.497 3.012 20 0 FGADHM O=C([O-])Nc1ccc(CNC[C@@H](O)c2cc(Cl)cc(Cl)c2)cn1 ZINC000832841800 603555848 /nfs/dbraw/zinc/55/58/48/603555848.db2.gz HNBLMSJNQPVXTD-CYBMUJFWSA-N -1 3 356.209 3.302 20 0 FGADHM CC(C)[C@H](O)C(C)(C)CNc1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000824199694 607819666 /nfs/dbraw/zinc/81/96/66/607819666.db2.gz LMQGLWHIRKKUME-ZDUSSCGKSA-N -1 3 357.380 3.341 20 0 FGADHM CC(C)[C@H](O)C(C)(C)CNc1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000824199694 607819667 /nfs/dbraw/zinc/81/96/67/607819667.db2.gz LMQGLWHIRKKUME-ZDUSSCGKSA-N -1 3 357.380 3.341 20 0 FGADHM Cc1ccc(C2=CCN(C(=O)c3ccc(-c4nnn[n-]4)cc3C)CC2)cc1 ZINC000826285282 607653974 /nfs/dbraw/zinc/65/39/74/607653974.db2.gz UPOUHJHUMMTSGH-UHFFFAOYSA-N -1 3 359.433 3.413 20 0 FGADHM Cc1ccc(C2=CCN(C(=O)c3ccc(-c4nn[n-]n4)cc3C)CC2)cc1 ZINC000826285282 607653975 /nfs/dbraw/zinc/65/39/75/607653975.db2.gz UPOUHJHUMMTSGH-UHFFFAOYSA-N -1 3 359.433 3.413 20 0 FGADHM Cc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)cc2C)cc1Br ZINC000826290870 607657189 /nfs/dbraw/zinc/65/71/89/607657189.db2.gz DPCQKENQCSNIMG-UHFFFAOYSA-N -1 3 372.226 3.498 20 0 FGADHM Cc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)cc2C)cc1Br ZINC000826290870 607657190 /nfs/dbraw/zinc/65/71/90/607657190.db2.gz DPCQKENQCSNIMG-UHFFFAOYSA-N -1 3 372.226 3.498 20 0 FGADHM O=C(Cn1c2ccccc2nc1C(F)(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000826424397 607659416 /nfs/dbraw/zinc/65/94/16/607659416.db2.gz KXERECBTJDSJPK-UHFFFAOYSA-N -1 3 372.310 3.118 20 0 FGADHM O=C(Cn1c2ccccc2nc1C(F)(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000826424397 607659420 /nfs/dbraw/zinc/65/94/20/607659420.db2.gz KXERECBTJDSJPK-UHFFFAOYSA-N -1 3 372.310 3.118 20 0 FGADHM CCCN(Cc1ccc(OC)cc1)C(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000825322893 607659595 /nfs/dbraw/zinc/65/95/95/607659595.db2.gz LFGWEKHKXUOFNF-UHFFFAOYSA-N -1 3 365.437 3.236 20 0 FGADHM CCCN(Cc1ccc(OC)cc1)C(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000825322893 607659597 /nfs/dbraw/zinc/65/95/97/607659597.db2.gz LFGWEKHKXUOFNF-UHFFFAOYSA-N -1 3 365.437 3.236 20 0 FGADHM CN(C)CCN(C(=O)Nc1cc(NC(=O)[O-])ccc1F)C1CCCC1 ZINC000828024431 604088984 /nfs/dbraw/zinc/08/89/84/604088984.db2.gz OOXONBMJDNXGIL-UHFFFAOYSA-N -1 3 352.410 3.254 20 0 FGADHM CC(=O)Nc1cc(NC(=O)c2ccc(-c3nnn[n-]3)cc2C)ccc1Cl ZINC000823999955 607671467 /nfs/dbraw/zinc/67/14/67/607671467.db2.gz OONPEMXRQTYWJS-UHFFFAOYSA-N -1 3 370.800 3.039 20 0 FGADHM CC(=O)Nc1cc(NC(=O)c2ccc(-c3nn[n-]n3)cc2C)ccc1Cl ZINC000823999955 607671470 /nfs/dbraw/zinc/67/14/70/607671470.db2.gz OONPEMXRQTYWJS-UHFFFAOYSA-N -1 3 370.800 3.039 20 0 FGADHM COc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)cc1Cc1ccccc1 ZINC000826209667 607687137 /nfs/dbraw/zinc/68/71/37/607687137.db2.gz LKFMQEHJJMFADB-UHFFFAOYSA-N -1 3 374.404 3.047 20 0 FGADHM COc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)cc1Cc1ccccc1 ZINC000826209667 607687139 /nfs/dbraw/zinc/68/71/39/607687139.db2.gz LKFMQEHJJMFADB-UHFFFAOYSA-N -1 3 374.404 3.047 20 0 FGADHM COc1cc(F)c([C@H](C)NCC[C@H]2CCCN(C(=O)[O-])C2)cc1OC ZINC000829134775 604300028 /nfs/dbraw/zinc/30/00/28/604300028.db2.gz HUTXMSQSNASYAO-QWHCGFSZSA-N -1 3 354.422 3.274 20 0 FGADHM COc1ccc(Cl)cc1NC(=O)C[C@H](C)NCc1ccc(C(=O)[O-])o1 ZINC000832367991 604330229 /nfs/dbraw/zinc/33/02/29/604330229.db2.gz PRUBWCRYBXIIRK-JTQLQIEISA-N -1 3 366.801 3.147 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(C)CCc1ccc(Cl)cc1 ZINC000826243484 607689621 /nfs/dbraw/zinc/68/96/21/607689621.db2.gz KEBRLMDZXGZTKX-UHFFFAOYSA-N -1 3 355.829 3.143 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(C)CCc1ccc(Cl)cc1 ZINC000826243484 607689622 /nfs/dbraw/zinc/68/96/22/607689622.db2.gz KEBRLMDZXGZTKX-UHFFFAOYSA-N -1 3 355.829 3.143 20 0 FGADHM O=C(c1ccc(-c2nnn[n-]2)[nH]1)N(Cc1ccccc1)Cc1ccccc1 ZINC000826471094 607690762 /nfs/dbraw/zinc/69/07/62/607690762.db2.gz NIPPTXDVQFJLEM-UHFFFAOYSA-N -1 3 358.405 3.037 20 0 FGADHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N(Cc1ccccc1)Cc1ccccc1 ZINC000826471094 607690764 /nfs/dbraw/zinc/69/07/64/607690764.db2.gz NIPPTXDVQFJLEM-UHFFFAOYSA-N -1 3 358.405 3.037 20 0 FGADHM C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000824763853 607693271 /nfs/dbraw/zinc/69/32/71/607693271.db2.gz PTZINUXYVLISQS-SECBINFHSA-N -1 3 364.331 3.047 20 0 FGADHM C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000824763853 607693272 /nfs/dbraw/zinc/69/32/72/607693272.db2.gz PTZINUXYVLISQS-SECBINFHSA-N -1 3 364.331 3.047 20 0 FGADHM O=C([O-])[C@@H]1Cc2ccccc2CN1Cc1cnc(-c2ccncc2)s1 ZINC000833193856 604464082 /nfs/dbraw/zinc/46/40/82/604464082.db2.gz MXILWKVOQATRRK-KRWDZBQOSA-N -1 3 351.431 3.217 20 0 FGADHM CC1CCC(N2CCN(C(=O)Nc3cc(C(=O)[O-])cs3)CC2)CC1 ZINC000828225617 604489919 /nfs/dbraw/zinc/48/99/19/604489919.db2.gz HINZMLCIIIVKGM-UHFFFAOYSA-N -1 3 351.472 3.175 20 0 FGADHM C[C@@H]1CN(Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)C[C@H]1C(=O)[O-] ZINC000833629201 604665661 /nfs/dbraw/zinc/66/56/61/604665661.db2.gz GLGLFVVBJSNWOY-UHOFOFEASA-N -1 3 353.846 3.050 20 0 FGADHM C[C@@H]1CN(Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)C[C@@H]1C(=O)[O-] ZINC000833629199 604665954 /nfs/dbraw/zinc/66/59/54/604665954.db2.gz GLGLFVVBJSNWOY-KCXAZCMYSA-N -1 3 353.846 3.050 20 0 FGADHM O=C([O-])CC1(NCc2coc(-c3cccc(Cl)c3)n2)CCOCC1 ZINC000662213052 604793294 /nfs/dbraw/zinc/79/32/94/604793294.db2.gz RPKZNSHFHOTOLC-UHFFFAOYSA-N -1 3 350.802 3.109 20 0 FGADHM CCCc1c(C(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)[nH]c(C)c1C(=O)[O-] ZINC000833652984 604860825 /nfs/dbraw/zinc/86/08/25/604860825.db2.gz LCNGEMLWPUMEAI-LPHOPBHVSA-N -1 3 369.465 3.149 20 0 FGADHM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1ccc(Oc2ccccc2)cc1 ZINC000824513928 607719935 /nfs/dbraw/zinc/71/99/35/607719935.db2.gz KIDQJLANQZNSFW-CYBMUJFWSA-N -1 3 374.404 3.478 20 0 FGADHM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1ccc(Oc2ccccc2)cc1 ZINC000824513928 607719936 /nfs/dbraw/zinc/71/99/36/607719936.db2.gz KIDQJLANQZNSFW-CYBMUJFWSA-N -1 3 374.404 3.478 20 0 FGADHM CC1(C)C[C@H]1C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824795824 607723517 /nfs/dbraw/zinc/72/35/17/607723517.db2.gz GGFSEXUDRHRRAV-KRWDZBQOSA-N -1 3 363.421 3.430 20 0 FGADHM CC1(C)C[C@H]1C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824795824 607723520 /nfs/dbraw/zinc/72/35/20/607723520.db2.gz GGFSEXUDRHRRAV-KRWDZBQOSA-N -1 3 363.421 3.430 20 0 FGADHM CC(C)(C(=O)[O-])[C@H]1CCCN(CC(=O)Nc2ccc(OC(F)F)cc2)C1 ZINC000833421639 604955157 /nfs/dbraw/zinc/95/51/57/604955157.db2.gz VSIGTDVDKLCXLQ-LBPRGKRZSA-N -1 3 370.396 3.049 20 0 FGADHM CC(C)c1cnc(CN(C)[C@@H]2CCN(Cc3ccccc3CC(=O)[O-])C2)o1 ZINC000833511360 605072164 /nfs/dbraw/zinc/07/21/64/605072164.db2.gz NQMRPQNETZUAIE-GOSISDBHSA-N -1 3 371.481 3.131 20 0 FGADHM CC1(C)CC[C@@H](C(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)C1 ZINC000833558184 605082834 /nfs/dbraw/zinc/08/28/34/605082834.db2.gz UJNWSTXODHEGRD-DYESRHJHSA-N -1 3 358.482 3.048 20 0 FGADHM CCN1C[C@H](C)N(Cc2csc(-c3cccc(C(=O)[O-])c3)n2)C[C@@H]1C ZINC000833656190 605144883 /nfs/dbraw/zinc/14/48/83/605144883.db2.gz IPVWYTHEFAIPTO-KBPBESRZSA-N -1 3 359.495 3.423 20 0 FGADHM CC(C)(C(=O)[O-])[C@@H](NCC(=O)Nc1cc(F)ccc1F)c1ccccc1 ZINC000833412011 605176647 /nfs/dbraw/zinc/17/66/47/605176647.db2.gz GDWPCNFLUCLQQD-KRWDZBQOSA-N -1 3 362.376 3.345 20 0 FGADHM C[C@@H]1Cc2ccccc2N1C(=O)CN[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000833631571 605181399 /nfs/dbraw/zinc/18/13/99/605181399.db2.gz DOCWMEYAXAWWDZ-QRWLVFNGSA-N -1 3 366.461 3.406 20 0 FGADHM CCOc1ccc([C@@H](C)N[C@H](C(=O)[O-])c2cccc(C(=O)OC)c2)cc1 ZINC000833664323 605194807 /nfs/dbraw/zinc/19/48/07/605194807.db2.gz SBNXMLCFTLHNPV-ACJLOTCBSA-N -1 3 357.406 3.348 20 0 FGADHM CCC(C)(C)OCc1cccc(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)c1C ZINC000825044004 607747863 /nfs/dbraw/zinc/74/78/63/607747863.db2.gz LSSOLSJHDMUVQK-UHFFFAOYSA-N -1 3 368.441 3.461 20 0 FGADHM CCC(C)(C)OCc1cccc(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)c1C ZINC000825044004 607747864 /nfs/dbraw/zinc/74/78/64/607747864.db2.gz LSSOLSJHDMUVQK-UHFFFAOYSA-N -1 3 368.441 3.461 20 0 FGADHM O=C([O-])N1CC[C@H](CN[C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)C1 ZINC000834054146 605338503 /nfs/dbraw/zinc/33/85/03/605338503.db2.gz NZNHPQNBJMOEKF-KDOFPFPSSA-N -1 3 371.412 3.095 20 0 FGADHM O=C([O-])N[C@@H]1CCC[C@@H]2CN(Cc3ncc(-c4cccc(F)c4)o3)C[C@@H]21 ZINC000834184085 605451850 /nfs/dbraw/zinc/45/18/50/605451850.db2.gz QMDKODLPOOZZCQ-VNQPRFMTSA-N -1 3 359.401 3.349 20 0 FGADHM CCOc1cc(Cl)ccc1CNC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000825616053 607757662 /nfs/dbraw/zinc/75/76/62/607757662.db2.gz UXQYJFLOZYFZSU-UHFFFAOYSA-N -1 3 372.816 3.241 20 0 FGADHM CCOc1cc(Cl)ccc1CNC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000825616053 607757663 /nfs/dbraw/zinc/75/76/63/607757663.db2.gz UXQYJFLOZYFZSU-UHFFFAOYSA-N -1 3 372.816 3.241 20 0 FGADHM CC(C)(COc1ncccc1Br)NCc1occc1C(=O)[O-] ZINC000833462054 605550113 /nfs/dbraw/zinc/55/01/13/605550113.db2.gz UGGMIQSLRHCPHO-UHFFFAOYSA-N -1 3 369.215 3.083 20 0 FGADHM Cc1nn(Cc2ccccc2)c(C)c1CN1CCC([C@H](C)NC(=O)[O-])CC1 ZINC000833920879 605587132 /nfs/dbraw/zinc/58/71/32/605587132.db2.gz OCSMZPGRFLPUBP-HNNXBMFYSA-N -1 3 370.497 3.416 20 0 FGADHM CCOC(=O)Nc1ccc(NC(=O)C[C@@H]2CC[C@@H](C)C2)cc1-c1nnn[n-]1 ZINC000825532274 607761864 /nfs/dbraw/zinc/76/18/64/607761864.db2.gz QOPMYWRCXVMBNY-VXGBXAGGSA-N -1 3 372.429 3.200 20 0 FGADHM CCOC(=O)Nc1ccc(NC(=O)C[C@@H]2CC[C@@H](C)C2)cc1-c1nn[n-]n1 ZINC000825532274 607761865 /nfs/dbraw/zinc/76/18/65/607761865.db2.gz QOPMYWRCXVMBNY-VXGBXAGGSA-N -1 3 372.429 3.200 20 0 FGADHM O=C([O-])N1CCCc2cc(NC(=O)[C@H]3CCCN3C3CCCC3)ccc21 ZINC000834053723 605758021 /nfs/dbraw/zinc/75/80/21/605758021.db2.gz AUIWGYBRKZZVDE-GOSISDBHSA-N -1 3 357.454 3.463 20 0 FGADHM O=C([O-])Nc1cccc(CC(=O)NC[C@@H](c2cccs2)N2CCCC2)c1 ZINC000834267655 605758484 /nfs/dbraw/zinc/75/84/84/605758484.db2.gz YHUMVBMUERYESA-INIZCTEOSA-N -1 3 373.478 3.334 20 0 FGADHM O=C([O-])N[C@H]1C[C@H](NCc2ccnc(N3CCCC3)c2)c2ccccc21 ZINC000834159020 605792562 /nfs/dbraw/zinc/79/25/62/605792562.db2.gz QREZBZNSJVECPB-ROUUACIJSA-N -1 3 352.438 3.225 20 0 FGADHM O=C([O-])N[C@H]1C[C@@H](NCc2cccc(Cn3cccn3)c2)c2ccccc21 ZINC000834158564 605792793 /nfs/dbraw/zinc/79/27/93/605792793.db2.gz OFIZITNMXCOUQP-UXHICEINSA-N -1 3 362.433 3.475 20 0 FGADHM CCN(C[C@@H]1CCN(Cc2cc(C(=O)[O-])ccc2F)C1)CC(F)(F)F ZINC000833654421 605838647 /nfs/dbraw/zinc/83/86/47/605838647.db2.gz OXBWHZIQMDAXQK-LBPRGKRZSA-N -1 3 362.367 3.230 20 0 FGADHM c1cc(-c2nn[n-]n2)ccc1OCCCSc1nnc(C2CC2)s1 ZINC000823742712 606052308 /nfs/dbraw/zinc/05/23/08/606052308.db2.gz KWHMOCRXJYKZDD-UHFFFAOYSA-N -1 3 360.468 3.157 20 0 FGADHM COCc1cc(CNc2nc3ccccc3cc2-c2nnn[n-]2)ccc1F ZINC000821695335 606079451 /nfs/dbraw/zinc/07/94/51/606079451.db2.gz STGMFQKLZOGVBM-UHFFFAOYSA-N -1 3 364.384 3.313 20 0 FGADHM COCc1cc(CNc2nc3ccccc3cc2-c2nn[n-]n2)ccc1F ZINC000821695335 606079457 /nfs/dbraw/zinc/07/94/57/606079457.db2.gz STGMFQKLZOGVBM-UHFFFAOYSA-N -1 3 364.384 3.313 20 0 FGADHM FC(F)CN(CCOc1ccc(-c2nn[n-]n2)cc1)Cc1ccccc1 ZINC000822728787 606094178 /nfs/dbraw/zinc/09/41/78/606094178.db2.gz MSTVQVAHDBLOBA-UHFFFAOYSA-N -1 3 359.380 3.013 20 0 FGADHM CC(C)CN(C(=O)c1cc(C(C)C)nn1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820081794 606102195 /nfs/dbraw/zinc/10/21/95/606102195.db2.gz VYOOMRKEDXLPPT-UHFFFAOYSA-N -1 3 367.457 3.026 20 0 FGADHM CC(C)CN(C(=O)c1cc(C(C)C)nn1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820081794 606102198 /nfs/dbraw/zinc/10/21/98/606102198.db2.gz VYOOMRKEDXLPPT-UHFFFAOYSA-N -1 3 367.457 3.026 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H](C)[C@@H](C)c1ccccc1 ZINC000821761625 606120568 /nfs/dbraw/zinc/12/05/68/606120568.db2.gz CNPKISOSUSXNBZ-OLZOCXBDSA-N -1 3 366.425 3.189 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@H](C)[C@@H](C)c1ccccc1 ZINC000821761625 606120569 /nfs/dbraw/zinc/12/05/69/606120569.db2.gz CNPKISOSUSXNBZ-OLZOCXBDSA-N -1 3 366.425 3.189 20 0 FGADHM COc1cc(F)c([C@@H](C)OC(=O)c2ccc(-c3nnn[n-]3)cc2)c(F)c1 ZINC000821719714 606131035 /nfs/dbraw/zinc/13/10/35/606131035.db2.gz IDNRUMZNSXBYEG-SECBINFHSA-N -1 3 360.320 3.072 20 0 FGADHM COc1cc(F)c([C@@H](C)OC(=O)c2ccc(-c3nn[n-]n3)cc2)c(F)c1 ZINC000821719714 606131037 /nfs/dbraw/zinc/13/10/37/606131037.db2.gz IDNRUMZNSXBYEG-SECBINFHSA-N -1 3 360.320 3.072 20 0 FGADHM FC(F)(F)c1cc(N2CCC[C@]3(CCCOC3)C2)ccc1-c1nnn[n-]1 ZINC000822724012 606142500 /nfs/dbraw/zinc/14/25/00/606142500.db2.gz WLHGMNFLTQXPRE-INIZCTEOSA-N -1 3 367.375 3.283 20 0 FGADHM FC(F)(F)c1cc(N2CCC[C@]3(CCCOC3)C2)ccc1-c1nn[n-]n1 ZINC000822724012 606142501 /nfs/dbraw/zinc/14/25/01/606142501.db2.gz WLHGMNFLTQXPRE-INIZCTEOSA-N -1 3 367.375 3.283 20 0 FGADHM C[C@H](OC(=O)CC1CCCCCC1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000820488728 606149788 /nfs/dbraw/zinc/14/97/88/606149788.db2.gz SJUOBHXOICAQHN-ZDUSSCGKSA-N -1 3 371.441 3.097 20 0 FGADHM C[C@H](OC(=O)CC1CCCCCC1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000820488728 606149790 /nfs/dbraw/zinc/14/97/90/606149790.db2.gz SJUOBHXOICAQHN-ZDUSSCGKSA-N -1 3 371.441 3.097 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OCc1ncc(-c2cccc(F)c2)o1 ZINC000821702483 606170764 /nfs/dbraw/zinc/17/07/64/606170764.db2.gz VLTLEBBGBYMYDN-UHFFFAOYSA-N -1 3 367.340 3.248 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OCc1ncc(-c2cccc(F)c2)o1 ZINC000821702483 606170765 /nfs/dbraw/zinc/17/07/65/606170765.db2.gz VLTLEBBGBYMYDN-UHFFFAOYSA-N -1 3 367.340 3.248 20 0 FGADHM C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820727133 606187726 /nfs/dbraw/zinc/18/77/26/606187726.db2.gz HCNJLMXHNLULFO-GTNSWQLSSA-N -1 3 351.385 3.059 20 0 FGADHM C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820727133 606187728 /nfs/dbraw/zinc/18/77/28/606187728.db2.gz HCNJLMXHNLULFO-GTNSWQLSSA-N -1 3 351.385 3.059 20 0 FGADHM C[C@@H]1[C@H](C)Sc2ccccc2N1C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820822541 606190062 /nfs/dbraw/zinc/19/00/62/606190062.db2.gz ZJPIVYGCHMXRIX-NEPJUHHUSA-N -1 3 351.435 3.396 20 0 FGADHM C[C@@H]1[C@H](C)Sc2ccccc2N1C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820822541 606190064 /nfs/dbraw/zinc/19/00/64/606190064.db2.gz ZJPIVYGCHMXRIX-NEPJUHHUSA-N -1 3 351.435 3.396 20 0 FGADHM COc1cccc(C(C)=CC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000821859698 606259201 /nfs/dbraw/zinc/25/92/01/606259201.db2.gz RSPZKKRMNSOGEO-QLKUMGTLSA-N -1 3 363.421 3.156 20 0 FGADHM COc1cccc(C(C)=CC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000821859698 606259203 /nfs/dbraw/zinc/25/92/03/606259203.db2.gz RSPZKKRMNSOGEO-QLKUMGTLSA-N -1 3 363.421 3.156 20 0 FGADHM O=C(Cc1c[nH]c2ccc(Cl)cc12)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000823074189 606265445 /nfs/dbraw/zinc/26/54/45/606265445.db2.gz LUSBNZBYGPLIBL-UHFFFAOYSA-N -1 3 370.775 3.322 20 0 FGADHM O=C(Cc1c[nH]c2ccc(Cl)cc12)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000823074189 606265447 /nfs/dbraw/zinc/26/54/47/606265447.db2.gz LUSBNZBYGPLIBL-UHFFFAOYSA-N -1 3 370.775 3.322 20 0 FGADHM C[C@@H]1C[C@H]1NC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000820674553 606267717 /nfs/dbraw/zinc/26/77/17/606267717.db2.gz FFIBBSHXHHNJAO-IAQYHMDHSA-N -1 3 351.435 3.156 20 0 FGADHM C[C@@H]1C[C@H]1NC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000820674553 606267718 /nfs/dbraw/zinc/26/77/18/606267718.db2.gz FFIBBSHXHHNJAO-IAQYHMDHSA-N -1 3 351.435 3.156 20 0 FGADHM Cc1ccc(OCCC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)cc1C ZINC000822262540 606268904 /nfs/dbraw/zinc/26/89/04/606268904.db2.gz BCEBLJKHJWGIOL-UHFFFAOYSA-N -1 3 355.373 3.030 20 0 FGADHM Cc1ccc(OCCC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)cc1C ZINC000822262540 606268906 /nfs/dbraw/zinc/26/89/06/606268906.db2.gz BCEBLJKHJWGIOL-UHFFFAOYSA-N -1 3 355.373 3.030 20 0 FGADHM CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820939501 606271879 /nfs/dbraw/zinc/27/18/79/606271879.db2.gz VVRSEDNOTAYKEP-HNNXBMFYSA-N -1 3 355.373 3.110 20 0 FGADHM CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820939501 606271881 /nfs/dbraw/zinc/27/18/81/606271881.db2.gz VVRSEDNOTAYKEP-HNNXBMFYSA-N -1 3 355.373 3.110 20 0 FGADHM C[C@@H](CCOc1ccccc1)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820248600 606273290 /nfs/dbraw/zinc/27/32/90/606273290.db2.gz KZDVDHXXGLXEBT-LBPRGKRZSA-N -1 3 355.373 3.050 20 0 FGADHM C[C@@H](CCOc1ccccc1)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820248600 606273292 /nfs/dbraw/zinc/27/32/92/606273292.db2.gz KZDVDHXXGLXEBT-LBPRGKRZSA-N -1 3 355.373 3.050 20 0 FGADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1ccc(Nc2ccccc2)cc1 ZINC000822649415 606277694 /nfs/dbraw/zinc/27/76/94/606277694.db2.gz ABIPECNKCLHXOJ-UHFFFAOYSA-N -1 3 359.393 3.201 20 0 FGADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1ccc(Nc2ccccc2)cc1 ZINC000822649415 606277695 /nfs/dbraw/zinc/27/76/95/606277695.db2.gz ABIPECNKCLHXOJ-UHFFFAOYSA-N -1 3 359.393 3.201 20 0 FGADHM CC[C@@H](Oc1ccccc1F)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820938720 606290238 /nfs/dbraw/zinc/29/02/38/606290238.db2.gz MMMVVXGZONJHKS-BLLLJJGKSA-N -1 3 369.400 3.041 20 0 FGADHM CC[C@@H](Oc1ccccc1F)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820938720 606290240 /nfs/dbraw/zinc/29/02/40/606290240.db2.gz MMMVVXGZONJHKS-BLLLJJGKSA-N -1 3 369.400 3.041 20 0 FGADHM COC(=O)[C@@H](Nc1ccc(C(C)C)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000821645160 606297422 /nfs/dbraw/zinc/29/74/22/606297422.db2.gz SGVKPETVNVQXCH-KRWDZBQOSA-N -1 3 351.410 3.316 20 0 FGADHM COC(=O)[C@@H](Nc1ccc(C(C)C)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000821645160 606297423 /nfs/dbraw/zinc/29/74/23/606297423.db2.gz SGVKPETVNVQXCH-KRWDZBQOSA-N -1 3 351.410 3.316 20 0 FGADHM COC(=O)[C@@H](N[C@@H](C)c1ccc(C)c(C)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000821640118 606302668 /nfs/dbraw/zinc/30/26/68/606302668.db2.gz AUMGYUDLLBAMLK-KSSFIOAISA-N -1 3 365.437 3.048 20 0 FGADHM COC(=O)[C@@H](N[C@@H](C)c1ccc(C)c(C)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000821640118 606302669 /nfs/dbraw/zinc/30/26/69/606302669.db2.gz AUMGYUDLLBAMLK-KSSFIOAISA-N -1 3 365.437 3.048 20 0 FGADHM Cc1ccc(C)c(SCCS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822231889 606307994 /nfs/dbraw/zinc/30/79/94/606307994.db2.gz LFBXACGKQJJNJJ-UHFFFAOYSA-N -1 3 374.491 3.050 20 0 FGADHM Cc1ccc(C)c(SCCS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822231889 606307996 /nfs/dbraw/zinc/30/79/96/606307996.db2.gz LFBXACGKQJJNJJ-UHFFFAOYSA-N -1 3 374.491 3.050 20 0 FGADHM C[C@H](OC(=O)C1(c2cccc(F)c2)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820487503 606340654 /nfs/dbraw/zinc/34/06/54/606340654.db2.gz HLNCZZNTJJZSLO-LBPRGKRZSA-N -1 3 352.369 3.342 20 0 FGADHM C[C@H](OC(=O)C1(c2cccc(F)c2)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820487503 606340657 /nfs/dbraw/zinc/34/06/57/606340657.db2.gz HLNCZZNTJJZSLO-LBPRGKRZSA-N -1 3 352.369 3.342 20 0 FGADHM CCOc1ncc(C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1Cl ZINC000821437297 606343013 /nfs/dbraw/zinc/34/30/13/606343013.db2.gz MXJDTXMGJWZFIE-SNVBAGLBSA-N -1 3 373.800 3.232 20 0 FGADHM CCOc1ncc(C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC000821437297 606343015 /nfs/dbraw/zinc/34/30/15/606343015.db2.gz MXJDTXMGJWZFIE-SNVBAGLBSA-N -1 3 373.800 3.232 20 0 FGADHM C[C@@H](OC(=O)[C@H]1CSc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000820487813 606345573 /nfs/dbraw/zinc/34/55/73/606345573.db2.gz JKVZGNCOGRLCHK-ABAIWWIYSA-N -1 3 352.419 3.360 20 0 FGADHM C[C@@H](OC(=O)[C@H]1CSc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000820487813 606345574 /nfs/dbraw/zinc/34/55/74/606345574.db2.gz JKVZGNCOGRLCHK-ABAIWWIYSA-N -1 3 352.419 3.360 20 0 FGADHM Cc1cccc(C(C)(C)NC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000822288622 606349750 /nfs/dbraw/zinc/34/97/50/606349750.db2.gz DJNXWLNLESDBDJ-UHFFFAOYSA-N -1 3 354.389 3.371 20 0 FGADHM Cc1cccc(C(C)(C)NC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000822288622 606349752 /nfs/dbraw/zinc/34/97/52/606349752.db2.gz DJNXWLNLESDBDJ-UHFFFAOYSA-N -1 3 354.389 3.371 20 0 FGADHM C[C@@H](OC(=O)C=Cc1cnc2ccccc2n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820488537 606352442 /nfs/dbraw/zinc/35/24/42/606352442.db2.gz PCHNTWIQKYWVNZ-BSYHEUMXSA-N -1 3 372.388 3.128 20 0 FGADHM C[C@@H](OC(=O)C=Cc1cnc2ccccc2n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820488537 606352444 /nfs/dbraw/zinc/35/24/44/606352444.db2.gz PCHNTWIQKYWVNZ-BSYHEUMXSA-N -1 3 372.388 3.128 20 0 FGADHM CCC(CC)c1cc(CNC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)on1 ZINC000820898324 606356734 /nfs/dbraw/zinc/35/67/34/606356734.db2.gz ZFELKMNPQKDIRE-UHFFFAOYSA-N -1 3 373.392 3.219 20 0 FGADHM CCC(CC)c1cc(CNC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)on1 ZINC000820898324 606356735 /nfs/dbraw/zinc/35/67/35/606356735.db2.gz ZFELKMNPQKDIRE-UHFFFAOYSA-N -1 3 373.392 3.219 20 0 FGADHM C[C@@H](SCC(=O)N([C@H](C)C1CC1)C1CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820549977 606372025 /nfs/dbraw/zinc/37/20/25/606372025.db2.gz UJTQNNYMQWZXHT-CHWSQXEVSA-N -1 3 371.510 3.450 20 0 FGADHM C[C@@H](SCC(=O)N([C@H](C)C1CC1)C1CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820549977 606372027 /nfs/dbraw/zinc/37/20/27/606372027.db2.gz UJTQNNYMQWZXHT-CHWSQXEVSA-N -1 3 371.510 3.450 20 0 FGADHM O=C(C/C=C/c1ccc(F)cc1)OCc1cc(-c2nnn[n-]2)ccc1F ZINC000822945287 606374176 /nfs/dbraw/zinc/37/41/76/606374176.db2.gz AFYRHVBICZZCIG-OWOJBTEDSA-N -1 3 356.332 3.292 20 0 FGADHM O=C(C/C=C/c1ccc(F)cc1)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000822945287 606374179 /nfs/dbraw/zinc/37/41/79/606374179.db2.gz AFYRHVBICZZCIG-OWOJBTEDSA-N -1 3 356.332 3.292 20 0 FGADHM C[C@H](OC(=O)c1cc(-c2nnn[n-]2)cn1C)c1ccc(Cl)c(Cl)c1 ZINC000820508529 606382476 /nfs/dbraw/zinc/38/24/76/606382476.db2.gz QTVDPHFULHUOSG-QMMMGPOBSA-N -1 3 366.208 3.430 20 0 FGADHM C[C@H](OC(=O)c1cc(-c2nn[n-]n2)cn1C)c1ccc(Cl)c(Cl)c1 ZINC000820508529 606382477 /nfs/dbraw/zinc/38/24/77/606382477.db2.gz QTVDPHFULHUOSG-QMMMGPOBSA-N -1 3 366.208 3.430 20 0 FGADHM Cc1cccc(NC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1O ZINC000822323917 606392581 /nfs/dbraw/zinc/39/25/81/606392581.db2.gz RPPWXTXFPMHRGA-UHFFFAOYSA-N -1 3 360.830 3.343 20 0 FGADHM Cc1cccc(NC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1O ZINC000822323917 606392582 /nfs/dbraw/zinc/39/25/82/606392582.db2.gz RPPWXTXFPMHRGA-UHFFFAOYSA-N -1 3 360.830 3.343 20 0 FGADHM Cc1cc(C(=O)O[C@H](C)COc2cccc(-c3nnn[n-]3)c2)c(F)cc1F ZINC000822184210 606396719 /nfs/dbraw/zinc/39/67/19/606396719.db2.gz PBBOJIZJYAIYCA-LLVKDONJSA-N -1 3 374.347 3.078 20 0 FGADHM Cc1cc(C(=O)O[C@H](C)COc2cccc(-c3nn[n-]n3)c2)c(F)cc1F ZINC000822184210 606396720 /nfs/dbraw/zinc/39/67/20/606396720.db2.gz PBBOJIZJYAIYCA-LLVKDONJSA-N -1 3 374.347 3.078 20 0 FGADHM C[C@H](OC(=O)c1cc2cc(F)ccc2[nH]1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820506848 606398206 /nfs/dbraw/zinc/39/82/06/606398206.db2.gz CPFHIYAIDHURSO-JTQLQIEISA-N -1 3 351.341 3.405 20 0 FGADHM C[C@H](OC(=O)c1cc2cc(F)ccc2[nH]1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820506848 606398207 /nfs/dbraw/zinc/39/82/07/606398207.db2.gz CPFHIYAIDHURSO-JTQLQIEISA-N -1 3 351.341 3.405 20 0 FGADHM COc1cccc(C[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000821863784 606399699 /nfs/dbraw/zinc/39/96/99/606399699.db2.gz PCHQHDPMCYNZMP-HNNXBMFYSA-N -1 3 353.401 3.226 20 0 FGADHM C[C@H](Nc1ccc(-c2nnn[n-]2)cn1)[C@H](O)c1c(Cl)cccc1Cl ZINC000820456003 606419287 /nfs/dbraw/zinc/41/92/87/606419287.db2.gz PAUIURDGTOHMON-RTHLEPHNSA-N -1 3 365.224 3.103 20 0 FGADHM C[C@H](Nc1ccc(-c2nn[n-]n2)cn1)[C@H](O)c1c(Cl)cccc1Cl ZINC000820456003 606419289 /nfs/dbraw/zinc/41/92/89/606419289.db2.gz PAUIURDGTOHMON-RTHLEPHNSA-N -1 3 365.224 3.103 20 0 FGADHM CC[C@@H](Nc1cccc(F)c1-c1nnn[n-]1)[C@@H](O)c1c(F)cccc1F ZINC000820925958 606419477 /nfs/dbraw/zinc/41/94/77/606419477.db2.gz NPZHZSNZCBDMKI-MLGOLLRUSA-N -1 3 363.343 3.208 20 0 FGADHM CC[C@@H](Nc1cccc(F)c1-c1nn[n-]n1)[C@@H](O)c1c(F)cccc1F ZINC000820925958 606419478 /nfs/dbraw/zinc/41/94/78/606419478.db2.gz NPZHZSNZCBDMKI-MLGOLLRUSA-N -1 3 363.343 3.208 20 0 FGADHM CCn1c2ccccc2nc1[C@@H](C)NCc1ccc(-c2nnn[n-]2)s1 ZINC000821564151 606421472 /nfs/dbraw/zinc/42/14/72/606421472.db2.gz VJTVKFLNNRFKDE-LLVKDONJSA-N -1 3 353.455 3.149 20 0 FGADHM COc1ccc([C@@H]2CCCN2c2ccc(F)cc2-c2nnn[n-]2)c(OC)c1 ZINC000821787690 606443416 /nfs/dbraw/zinc/44/34/16/606443416.db2.gz YBPMGDCRPKHEKQ-INIZCTEOSA-N -1 3 369.400 3.365 20 0 FGADHM COc1ccc([C@@H]2CCCN2c2ccc(F)cc2-c2nn[n-]n2)c(OC)c1 ZINC000821787690 606443417 /nfs/dbraw/zinc/44/34/17/606443417.db2.gz YBPMGDCRPKHEKQ-INIZCTEOSA-N -1 3 369.400 3.365 20 0 FGADHM CCOc1cc2c(cc1NCc1cccc(-c3nnn[n-]3)c1)O[C@@H](C)C2 ZINC000821400481 606451909 /nfs/dbraw/zinc/45/19/09/606451909.db2.gz KHJITPUGNKFYEL-LBPRGKRZSA-N -1 3 351.410 3.201 20 0 FGADHM CCOc1cc2c(cc1NCc1cccc(-c3nn[n-]n3)c1)O[C@@H](C)C2 ZINC000821400481 606451910 /nfs/dbraw/zinc/45/19/10/606451910.db2.gz KHJITPUGNKFYEL-LBPRGKRZSA-N -1 3 351.410 3.201 20 0 FGADHM Fc1ccc(NCc2cc(-c3nnn[n-]3)ccc2F)c(OC(F)F)c1 ZINC000822782682 606463328 /nfs/dbraw/zinc/46/33/28/606463328.db2.gz AVHRLPRKXCYPKS-UHFFFAOYSA-N -1 3 353.279 3.358 20 0 FGADHM Fc1ccc(NCc2cc(-c3nn[n-]n3)ccc2F)c(OC(F)F)c1 ZINC000822782682 606463330 /nfs/dbraw/zinc/46/33/30/606463330.db2.gz AVHRLPRKXCYPKS-UHFFFAOYSA-N -1 3 353.279 3.358 20 0 FGADHM CCCC[C@H](Cc1ccccn1)OC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000821042806 606466929 /nfs/dbraw/zinc/46/69/29/606466929.db2.gz IQMJFSHENXDLBE-CQSZACIVSA-N -1 3 357.439 3.282 20 0 FGADHM CCCC[C@H](Cc1ccccn1)OC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000821042806 606466930 /nfs/dbraw/zinc/46/69/30/606466930.db2.gz IQMJFSHENXDLBE-CQSZACIVSA-N -1 3 357.439 3.282 20 0 FGADHM Cc1cc(COC(=O)c2cc(-c3nnn[n-]3)cs2)c2ccccc2n1 ZINC000822201249 606467061 /nfs/dbraw/zinc/46/70/61/606467061.db2.gz XNLVDDSLBBVGLT-UHFFFAOYSA-N -1 3 351.391 3.142 20 0 FGADHM Cc1cc(COC(=O)c2cc(-c3nn[n-]n3)cs2)c2ccccc2n1 ZINC000822201249 606467063 /nfs/dbraw/zinc/46/70/63/606467063.db2.gz XNLVDDSLBBVGLT-UHFFFAOYSA-N -1 3 351.391 3.142 20 0 FGADHM CCO[C@@H]1C[C@H](OC(=O)c2cc(-c3nnn[n-]3)cs2)C1(CC)CC ZINC000821358965 606468950 /nfs/dbraw/zinc/46/89/50/606468950.db2.gz LWPLDAQWGJOSNC-OLZOCXBDSA-N -1 3 350.444 3.069 20 0 FGADHM CCO[C@@H]1C[C@H](OC(=O)c2cc(-c3nn[n-]n3)cs2)C1(CC)CC ZINC000821358965 606468951 /nfs/dbraw/zinc/46/89/51/606468951.db2.gz LWPLDAQWGJOSNC-OLZOCXBDSA-N -1 3 350.444 3.069 20 0 FGADHM COc1ccc2ccccc2c1CNC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000821854725 606489071 /nfs/dbraw/zinc/48/90/71/606489071.db2.gz SRNJCQHGIAJSDW-UHFFFAOYSA-N -1 3 365.418 3.020 20 0 FGADHM COc1ccc2ccccc2c1CNC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000821854725 606489072 /nfs/dbraw/zinc/48/90/72/606489072.db2.gz SRNJCQHGIAJSDW-UHFFFAOYSA-N -1 3 365.418 3.020 20 0 FGADHM O=C(Nc1ccc2oc(C3CC3)nc2c1)c1cc(-c2nnn[n-]2)cs1 ZINC000823355419 606493829 /nfs/dbraw/zinc/49/38/29/606493829.db2.gz CEWYVRPMWQYJSV-UHFFFAOYSA-N -1 3 352.379 3.199 20 0 FGADHM O=C(Nc1ccc2oc(C3CC3)nc2c1)c1cc(-c2nn[n-]n2)cs1 ZINC000823355419 606493830 /nfs/dbraw/zinc/49/38/30/606493830.db2.gz CEWYVRPMWQYJSV-UHFFFAOYSA-N -1 3 352.379 3.199 20 0 FGADHM Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000822213220 606495044 /nfs/dbraw/zinc/49/50/44/606495044.db2.gz ZLSVVHAAMXZUBB-LBPRGKRZSA-N -1 3 357.439 3.273 20 0 FGADHM Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000822213220 606495045 /nfs/dbraw/zinc/49/50/45/606495045.db2.gz ZLSVVHAAMXZUBB-LBPRGKRZSA-N -1 3 357.439 3.273 20 0 FGADHM CC(C)Oc1ccccc1[C@H](C)NC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820178053 606511055 /nfs/dbraw/zinc/51/10/55/606511055.db2.gz GECGBULMOLPKCG-AWEZNQCLSA-N -1 3 365.437 3.074 20 0 FGADHM CC(C)Oc1ccccc1[C@H](C)NC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820178053 606511056 /nfs/dbraw/zinc/51/10/56/606511056.db2.gz GECGBULMOLPKCG-AWEZNQCLSA-N -1 3 365.437 3.074 20 0 FGADHM CC(C)Oc1ccccc1[C@@H](C)NC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820178054 606511235 /nfs/dbraw/zinc/51/12/35/606511235.db2.gz GECGBULMOLPKCG-CQSZACIVSA-N -1 3 365.437 3.074 20 0 FGADHM CC(C)Oc1ccccc1[C@@H](C)NC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820178054 606511237 /nfs/dbraw/zinc/51/12/37/606511237.db2.gz GECGBULMOLPKCG-CQSZACIVSA-N -1 3 365.437 3.074 20 0 FGADHM CC(C)Oc1cccc([C@@H](C)NC(=O)Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC000820178330 606511369 /nfs/dbraw/zinc/51/13/69/606511369.db2.gz NCPXQAXCUYMZFB-CQSZACIVSA-N -1 3 365.437 3.074 20 0 FGADHM CC(C)Oc1cccc([C@@H](C)NC(=O)Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC000820178330 606511371 /nfs/dbraw/zinc/51/13/71/606511371.db2.gz NCPXQAXCUYMZFB-CQSZACIVSA-N -1 3 365.437 3.074 20 0 FGADHM O=C(Nc1cc(-c2ccccc2)ns1)c1cc(-c2nnn[n-]2)cs1 ZINC000823289137 606513148 /nfs/dbraw/zinc/51/31/48/606513148.db2.gz CLLKKHJVTNVUAJ-UHFFFAOYSA-N -1 3 354.420 3.304 20 0 FGADHM O=C(Nc1cc(-c2ccccc2)ns1)c1cc(-c2nn[n-]n2)cs1 ZINC000823289137 606513151 /nfs/dbraw/zinc/51/31/51/606513151.db2.gz CLLKKHJVTNVUAJ-UHFFFAOYSA-N -1 3 354.420 3.304 20 0 FGADHM Cc1ccc(C[C@H]2CCCN2C(=O)c2cc(-c3nnn[n-]3)cs2)cc1 ZINC000822235135 606513387 /nfs/dbraw/zinc/51/33/87/606513387.db2.gz VAJLONNSKKNTFP-OAHLLOKOSA-N -1 3 353.451 3.084 20 0 FGADHM Cc1ccc(C[C@H]2CCCN2C(=O)c2cc(-c3nn[n-]n3)cs2)cc1 ZINC000822235135 606513388 /nfs/dbraw/zinc/51/33/88/606513388.db2.gz VAJLONNSKKNTFP-OAHLLOKOSA-N -1 3 353.451 3.084 20 0 FGADHM CC(C)COc1cccc(NC(=O)Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC000820103249 606514459 /nfs/dbraw/zinc/51/44/59/606514459.db2.gz RDGHKPCDPUHHBH-UHFFFAOYSA-N -1 3 351.410 3.083 20 0 FGADHM CC(C)COc1cccc(NC(=O)Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC000820103249 606514461 /nfs/dbraw/zinc/51/44/61/606514461.db2.gz RDGHKPCDPUHHBH-UHFFFAOYSA-N -1 3 351.410 3.083 20 0 FGADHM CC[C@@H](NC(=O)c1cc(-c2nnn[n-]2)cs1)C(C)(C)c1ccccc1 ZINC000820920398 606515801 /nfs/dbraw/zinc/51/58/01/606515801.db2.gz PMPJCRVDZXYTTN-OAHLLOKOSA-N -1 3 355.467 3.414 20 0 FGADHM CC[C@@H](NC(=O)c1cc(-c2nn[n-]n2)cs1)C(C)(C)c1ccccc1 ZINC000820920398 606515802 /nfs/dbraw/zinc/51/58/02/606515802.db2.gz PMPJCRVDZXYTTN-OAHLLOKOSA-N -1 3 355.467 3.414 20 0 FGADHM CC(C)(CNC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)cc1 ZINC000819981101 606528978 /nfs/dbraw/zinc/52/89/78/606528978.db2.gz MRHKEGCNHKNQBB-UHFFFAOYSA-N -1 3 369.856 3.157 20 0 FGADHM CC(C)(CNC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)cc1 ZINC000819981101 606528979 /nfs/dbraw/zinc/52/89/79/606528979.db2.gz MRHKEGCNHKNQBB-UHFFFAOYSA-N -1 3 369.856 3.157 20 0 FGADHM C[C@H]1C[C@H](c2ccccc2F)N(C(=O)c2cc(-c3nnn[n-]3)cs2)C1 ZINC000820665030 606542310 /nfs/dbraw/zinc/54/23/10/606542310.db2.gz DGKXSSRDQUWAGU-IINYFYTJSA-N -1 3 357.414 3.291 20 0 FGADHM C[C@H]1C[C@H](c2ccccc2F)N(C(=O)c2cc(-c3nn[n-]n3)cs2)C1 ZINC000820665030 606542312 /nfs/dbraw/zinc/54/23/12/606542312.db2.gz DGKXSSRDQUWAGU-IINYFYTJSA-N -1 3 357.414 3.291 20 0 FGADHM Cc1cnc(-c2cccc(NC(=O)Cc3cccc(-c4nnn[n-]4)c3)c2)o1 ZINC000822388764 606557559 /nfs/dbraw/zinc/55/75/59/606557559.db2.gz AGBSNZBUGYDJHG-UHFFFAOYSA-N -1 3 360.377 3.011 20 0 FGADHM Cc1cnc(-c2cccc(NC(=O)Cc3cccc(-c4nn[n-]n4)c3)c2)o1 ZINC000822388764 606557561 /nfs/dbraw/zinc/55/75/61/606557561.db2.gz AGBSNZBUGYDJHG-UHFFFAOYSA-N -1 3 360.377 3.011 20 0 FGADHM O=C(C=C1CCCC1)OCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000822922822 606559456 /nfs/dbraw/zinc/55/94/56/606559456.db2.gz KGXJLLPVHPFKKO-UHFFFAOYSA-N -1 3 350.325 3.012 20 0 FGADHM O=C(C=C1CCCC1)OCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000822922822 606559457 /nfs/dbraw/zinc/55/94/57/606559457.db2.gz KGXJLLPVHPFKKO-UHFFFAOYSA-N -1 3 350.325 3.012 20 0 FGADHM COc1cccc([C@@H](C)CC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000821860253 606604657 /nfs/dbraw/zinc/60/46/57/606604657.db2.gz ZMRMPZYRXZRFSI-KBPBESRZSA-N -1 3 365.437 3.246 20 0 FGADHM COc1cccc([C@@H](C)CC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000821860253 606604658 /nfs/dbraw/zinc/60/46/58/606604658.db2.gz ZMRMPZYRXZRFSI-KBPBESRZSA-N -1 3 365.437 3.246 20 0 FGADHM CCO[C@@H]1C[C@@H](NC(=S)Nc2ccccc2-c2nnn[n-]2)C1(CC)CC ZINC000821361410 606618620 /nfs/dbraw/zinc/61/86/20/606618620.db2.gz URSAYQYQQHZXHW-HUUCEWRRSA-N -1 3 374.514 3.137 20 0 FGADHM CCO[C@@H]1C[C@@H](NC(=S)Nc2ccccc2-c2nn[n-]n2)C1(CC)CC ZINC000821361410 606618623 /nfs/dbraw/zinc/61/86/23/606618623.db2.gz URSAYQYQQHZXHW-HUUCEWRRSA-N -1 3 374.514 3.137 20 0 FGADHM C[C@@H]1C[C@H](C)CN(C(=O)CSc2ccc(Cl)cc2-c2nnn[n-]2)C1 ZINC000820650874 606630089 /nfs/dbraw/zinc/63/00/89/606630089.db2.gz YAWVEBBWVRCBDI-PHIMTYICSA-N -1 3 365.890 3.117 20 0 FGADHM C[C@@H]1C[C@H](C)CN(C(=O)CSc2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC000820650874 606630090 /nfs/dbraw/zinc/63/00/90/606630090.db2.gz YAWVEBBWVRCBDI-PHIMTYICSA-N -1 3 365.890 3.117 20 0 FGADHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1N1CCO[C@H](c2ccco2)C1 ZINC000822718896 606633590 /nfs/dbraw/zinc/63/35/90/606633590.db2.gz SWHFXCLQWNOHAN-AWEZNQCLSA-N -1 3 365.315 3.056 20 0 FGADHM O[C@H]1CCCC[C@@H]1Oc1ccc(NCc2cc(-c3nnn[n-]3)cs2)cc1 ZINC000823704443 606657577 /nfs/dbraw/zinc/65/75/77/606657577.db2.gz AQQYBLFLWWZICR-IRXDYDNUSA-N -1 3 371.466 3.223 20 0 FGADHM O[C@H]1CCCC[C@@H]1Oc1ccc(NCc2cc(-c3nn[n-]n3)cs2)cc1 ZINC000823704443 606657578 /nfs/dbraw/zinc/65/75/78/606657578.db2.gz AQQYBLFLWWZICR-IRXDYDNUSA-N -1 3 371.466 3.223 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N([C@@H](C)c1ccco1)C1CC1 ZINC000821755633 606658436 /nfs/dbraw/zinc/65/84/36/606658436.db2.gz IKEKLWSSNWTACA-NSHDSACASA-N -1 3 368.397 3.226 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N([C@@H](C)c1ccco1)C1CC1 ZINC000821755633 606658437 /nfs/dbraw/zinc/65/84/37/606658437.db2.gz IKEKLWSSNWTACA-NSHDSACASA-N -1 3 368.397 3.226 20 0 FGADHM CN(Cc1cccc(Cl)c1)C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821613263 606662186 /nfs/dbraw/zinc/66/21/86/606662186.db2.gz FSVOHXJGICGXMO-UHFFFAOYSA-N -1 3 363.755 3.071 20 0 FGADHM CN(Cc1cccc(Cl)c1)C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821613263 606662187 /nfs/dbraw/zinc/66/21/87/606662187.db2.gz FSVOHXJGICGXMO-UHFFFAOYSA-N -1 3 363.755 3.071 20 0 FGADHM O=C(N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823145633 606663838 /nfs/dbraw/zinc/66/38/38/606663838.db2.gz SEULYSYESKKLAA-DMDPSCGWSA-N -1 3 361.396 3.234 20 0 FGADHM O=C(N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823145633 606663839 /nfs/dbraw/zinc/66/38/39/606663839.db2.gz SEULYSYESKKLAA-DMDPSCGWSA-N -1 3 361.396 3.234 20 0 FGADHM C[C@H](NC(=O)CCc1cn(C)c2ccccc12)c1ccc(-c2nnn[n-]2)cc1 ZINC000820326838 606666845 /nfs/dbraw/zinc/66/68/45/606666845.db2.gz AQSWWXDNCOYINU-AWEZNQCLSA-N -1 3 374.448 3.168 20 0 FGADHM C[C@H](NC(=O)CCc1cn(C)c2ccccc12)c1ccc(-c2nn[n-]n2)cc1 ZINC000820326838 606666846 /nfs/dbraw/zinc/66/68/46/606666846.db2.gz AQSWWXDNCOYINU-AWEZNQCLSA-N -1 3 374.448 3.168 20 0 FGADHM O=C([C@H]1C[C@@H]1Cc1ccccc1)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000822917277 606667084 /nfs/dbraw/zinc/66/70/84/606667084.db2.gz RLYGYXCTEDDPCR-ICSRJNTNSA-N -1 3 373.460 3.237 20 0 FGADHM O=C([C@H]1C[C@@H]1Cc1ccccc1)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000822917277 606667085 /nfs/dbraw/zinc/66/70/85/606667085.db2.gz RLYGYXCTEDDPCR-ICSRJNTNSA-N -1 3 373.460 3.237 20 0 FGADHM C[C@H](CCNC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000820242928 606675717 /nfs/dbraw/zinc/67/57/17/606675717.db2.gz RGVFGPDRTJAEMB-LLVKDONJSA-N -1 3 357.364 3.069 20 0 FGADHM C[C@H](CCNC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000820242928 606675718 /nfs/dbraw/zinc/67/57/18/606675718.db2.gz RGVFGPDRTJAEMB-LLVKDONJSA-N -1 3 357.364 3.069 20 0 FGADHM Cc1ccc(C(C)(C)CNC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1 ZINC000822227338 606677662 /nfs/dbraw/zinc/67/76/62/606677662.db2.gz FHMXJFNSCBNSBJ-UHFFFAOYSA-N -1 3 371.391 3.161 20 0 FGADHM Cc1ccc(C(C)(C)CNC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1 ZINC000822227338 606677663 /nfs/dbraw/zinc/67/76/63/606677663.db2.gz FHMXJFNSCBNSBJ-UHFFFAOYSA-N -1 3 371.391 3.161 20 0 FGADHM O=C(N[C@H](c1ccccc1)C1CCC1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823139604 606677729 /nfs/dbraw/zinc/67/77/29/606677729.db2.gz IEZSGWFKTWONNR-QGZVFWFLSA-N -1 3 369.375 3.416 20 0 FGADHM O=C(N[C@H](c1ccccc1)C1CCC1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823139604 606677730 /nfs/dbraw/zinc/67/77/30/606677730.db2.gz IEZSGWFKTWONNR-QGZVFWFLSA-N -1 3 369.375 3.416 20 0 FGADHM CCC(CC)N(CC(C)C)C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820897947 606684959 /nfs/dbraw/zinc/68/49/59/606684959.db2.gz QQBNVFOOVFWJMM-UHFFFAOYSA-N -1 3 351.401 3.432 20 0 FGADHM CCC(CC)N(CC(C)C)C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820897947 606684960 /nfs/dbraw/zinc/68/49/60/606684960.db2.gz QQBNVFOOVFWJMM-UHFFFAOYSA-N -1 3 351.401 3.432 20 0 FGADHM C[C@@]1(c2ccccc2)CCN(C(=O)C=Cc2ccccc2-c2nnn[n-]2)C1 ZINC000820637112 606690881 /nfs/dbraw/zinc/69/08/81/606690881.db2.gz WWNBREDVJYEMOP-RJRNSMGGSA-N -1 3 359.433 3.070 20 0 FGADHM C[C@@]1(c2ccccc2)CCN(C(=O)C=Cc2ccccc2-c2nn[n-]n2)C1 ZINC000820637112 606690882 /nfs/dbraw/zinc/69/08/82/606690882.db2.gz WWNBREDVJYEMOP-RJRNSMGGSA-N -1 3 359.433 3.070 20 0 FGADHM Cc1ccc([C@H](C)NC(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1F ZINC000822229345 606692975 /nfs/dbraw/zinc/69/29/75/606692975.db2.gz RZHJKEMJECBPET-XPSMFNQNSA-N -1 3 351.385 3.205 20 0 FGADHM Cc1ccc([C@H](C)NC(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1F ZINC000822229345 606692976 /nfs/dbraw/zinc/69/29/76/606692976.db2.gz RZHJKEMJECBPET-XPSMFNQNSA-N -1 3 351.385 3.205 20 0 FGADHM O=C(N[C@@H](c1ccccc1F)C1CCCC1)c1ccc(-c2nnn[n-]2)cn1 ZINC000823140186 606693840 /nfs/dbraw/zinc/69/38/40/606693840.db2.gz QYFYUCNRGBRKLG-QGZVFWFLSA-N -1 3 366.400 3.062 20 0 FGADHM O=C(N[C@@H](c1ccccc1F)C1CCCC1)c1ccc(-c2nn[n-]n2)cn1 ZINC000823140186 606693841 /nfs/dbraw/zinc/69/38/41/606693841.db2.gz QYFYUCNRGBRKLG-QGZVFWFLSA-N -1 3 366.400 3.062 20 0 FGADHM COc1ccc(F)c(NCc2ccc(-c3nnn[n-]3)cc2OC(F)F)c1 ZINC000821828555 606707701 /nfs/dbraw/zinc/70/77/01/606707701.db2.gz XRLMMGQBDZTCQA-UHFFFAOYSA-N -1 3 365.315 3.228 20 0 FGADHM COc1ccc(F)c(NCc2ccc(-c3nn[n-]n3)cc2OC(F)F)c1 ZINC000821828555 606707702 /nfs/dbraw/zinc/70/77/02/606707702.db2.gz XRLMMGQBDZTCQA-UHFFFAOYSA-N -1 3 365.315 3.228 20 0 FGADHM CSCc1cc(F)ccc1CNc1nc(C)cc(C)c1-c1nnn[n-]1 ZINC000821971058 606725277 /nfs/dbraw/zinc/72/52/77/606725277.db2.gz WTPCWJRFCLMSCS-UHFFFAOYSA-N -1 3 358.446 3.493 20 0 FGADHM CSCc1cc(F)ccc1CNc1nc(C)cc(C)c1-c1nn[n-]n1 ZINC000821971058 606725279 /nfs/dbraw/zinc/72/52/79/606725279.db2.gz WTPCWJRFCLMSCS-UHFFFAOYSA-N -1 3 358.446 3.493 20 0 FGADHM C[C@@H](Nc1cc(Cl)ccc1-c1nnn[n-]1)c1cn(-c2ccccc2)nn1 ZINC000820456622 606728512 /nfs/dbraw/zinc/72/85/12/606728512.db2.gz VTGOISRZHVENRI-LLVKDONJSA-N -1 3 366.816 3.274 20 0 FGADHM C[C@@H](Nc1cc(Cl)ccc1-c1nn[n-]n1)c1cn(-c2ccccc2)nn1 ZINC000820456622 606728513 /nfs/dbraw/zinc/72/85/13/606728513.db2.gz VTGOISRZHVENRI-LLVKDONJSA-N -1 3 366.816 3.274 20 0 FGADHM CC(C)CC[C@@H]1CCCCN1C(=O)COc1ccccc1-c1nnn[n-]1 ZINC000820072345 606746840 /nfs/dbraw/zinc/74/68/40/606746840.db2.gz GKXLHAYVNZMEQO-HNNXBMFYSA-N -1 3 357.458 3.063 20 0 FGADHM CC(C)CC[C@@H]1CCCCN1C(=O)COc1ccccc1-c1nn[n-]n1 ZINC000820072345 606746841 /nfs/dbraw/zinc/74/68/41/606746841.db2.gz GKXLHAYVNZMEQO-HNNXBMFYSA-N -1 3 357.458 3.063 20 0 FGADHM COc1cccc([C@@H](C)OC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c1 ZINC000821857801 606749386 /nfs/dbraw/zinc/74/93/86/606749386.db2.gz AOXZBYSQJQMSHC-SECBINFHSA-N -1 3 360.320 3.072 20 0 FGADHM COc1cccc([C@@H](C)OC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c1 ZINC000821857801 606749387 /nfs/dbraw/zinc/74/93/87/606749387.db2.gz AOXZBYSQJQMSHC-SECBINFHSA-N -1 3 360.320 3.072 20 0 FGADHM O=C(NC1(C2CC2)CC1)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000823140105 606762377 /nfs/dbraw/zinc/76/23/77/606762377.db2.gz OFDJQWJNEHEELW-UHFFFAOYSA-N -1 3 360.421 3.283 20 0 FGADHM O=C(Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1)[C@@H]1CCSC1 ZINC000823444929 606779569 /nfs/dbraw/zinc/77/95/69/606779569.db2.gz QUMPMJSVISKJOR-OAHLLOKOSA-N -1 3 352.419 3.192 20 0 FGADHM O=C(Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1)[C@@H]1CCSC1 ZINC000823444929 606779570 /nfs/dbraw/zinc/77/95/70/606779570.db2.gz QUMPMJSVISKJOR-OAHLLOKOSA-N -1 3 352.419 3.192 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1sc(C)nc1C ZINC000821104845 606835570 /nfs/dbraw/zinc/83/55/70/606835570.db2.gz SRFDRVLSVSXQAT-UHFFFAOYSA-N -1 3 371.470 3.384 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1sc(C)nc1C ZINC000821104845 606835572 /nfs/dbraw/zinc/83/55/72/606835572.db2.gz SRFDRVLSVSXQAT-UHFFFAOYSA-N -1 3 371.470 3.384 20 0 FGADHM C[C@H]1CCCC[C@@H]1NC(=O)CSc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820702850 606850944 /nfs/dbraw/zinc/85/09/44/606850944.db2.gz APJNBUIXJJUDNJ-GWCFXTLKSA-N -1 3 365.890 3.307 20 0 FGADHM C[C@H]1CCCC[C@@H]1NC(=O)CSc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820702850 606850945 /nfs/dbraw/zinc/85/09/45/606850945.db2.gz APJNBUIXJJUDNJ-GWCFXTLKSA-N -1 3 365.890 3.307 20 0 FGADHM C[C@H]1C[C@H](C)CN(C(=O)CSc2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC000820649146 606851013 /nfs/dbraw/zinc/85/10/13/606851013.db2.gz JDDJGKCQMXUYEM-QWRGUYRKSA-N -1 3 365.890 3.117 20 0 FGADHM C[C@H]1C[C@H](C)CN(C(=O)CSc2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC000820649146 606851014 /nfs/dbraw/zinc/85/10/14/606851014.db2.gz JDDJGKCQMXUYEM-QWRGUYRKSA-N -1 3 365.890 3.117 20 0 FGADHM CC(C)(C)c1ccc(C(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000819958138 606913816 /nfs/dbraw/zinc/91/38/16/606913816.db2.gz JIAPOMWDAQHQIA-UHFFFAOYSA-N -1 3 371.466 3.035 20 0 FGADHM CCOc1ccc([C@@H](C)Nc2nnc(CC)c(CC)c2-c2nnn[n-]2)cc1 ZINC000821417532 606918890 /nfs/dbraw/zinc/91/88/90/606918890.db2.gz NUMKRFLVEMUKLT-GFCCVEGCSA-N -1 3 367.457 3.353 20 0 FGADHM CCOc1ccc([C@@H](C)Nc2nnc(CC)c(CC)c2-c2nn[n-]n2)cc1 ZINC000821417532 606918891 /nfs/dbraw/zinc/91/88/91/606918891.db2.gz NUMKRFLVEMUKLT-GFCCVEGCSA-N -1 3 367.457 3.353 20 0 FGADHM CC(C)[C@H](C)OC(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000820015897 606925973 /nfs/dbraw/zinc/92/59/73/606925973.db2.gz HXJSFHIZTGHZRV-LBPRGKRZSA-N -1 3 356.382 3.240 20 0 FGADHM CC(C)[C@H](C)OC(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000820015897 606925974 /nfs/dbraw/zinc/92/59/74/606925974.db2.gz HXJSFHIZTGHZRV-LBPRGKRZSA-N -1 3 356.382 3.240 20 0 FGADHM CC(C)[C@H](C)OC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000820016655 606926009 /nfs/dbraw/zinc/92/60/09/606926009.db2.gz NQHJUUNFKBPHQE-LBPRGKRZSA-N -1 3 356.382 3.240 20 0 FGADHM CCc1nnc(Nc2cccc([C@@H](C)OC)c2)c(-c2nnn[n-]2)c1CC ZINC000821548585 606931182 /nfs/dbraw/zinc/93/11/82/606931182.db2.gz OXNPEUSBNZDHKC-LLVKDONJSA-N -1 3 353.430 3.233 20 0 FGADHM CCc1nnc(Nc2cccc([C@@H](C)OC)c2)c(-c2nn[n-]n2)c1CC ZINC000821548585 606931183 /nfs/dbraw/zinc/93/11/83/606931183.db2.gz OXNPEUSBNZDHKC-LLVKDONJSA-N -1 3 353.430 3.233 20 0 FGADHM CC(C)C1CCC(NC(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000820037795 606932780 /nfs/dbraw/zinc/93/27/80/606932780.db2.gz ICQRNCUKDOICDD-UHFFFAOYSA-N -1 3 356.474 3.223 20 0 FGADHM CC(C)C1CCC(NC(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000820037795 606932782 /nfs/dbraw/zinc/93/27/82/606932782.db2.gz ICQRNCUKDOICDD-UHFFFAOYSA-N -1 3 356.474 3.223 20 0 FGADHM CCc1nnc(N2C[C@@H](c3ccccc3)C[C@@H]2C)c(-c2nnn[n-]2)c1CC ZINC000821520887 606935423 /nfs/dbraw/zinc/93/54/23/606935423.db2.gz BLPSOWNCFAGCJS-ZFWWWQNUSA-N -1 3 363.469 3.164 20 0 FGADHM CCc1nnc(N2C[C@@H](c3ccccc3)C[C@@H]2C)c(-c2nn[n-]n2)c1CC ZINC000821520887 606935425 /nfs/dbraw/zinc/93/54/25/606935425.db2.gz BLPSOWNCFAGCJS-ZFWWWQNUSA-N -1 3 363.469 3.164 20 0 FGADHM C[C@H](CNc1ccc(C(F)(F)F)cc1-c1nnn[n-]1)CC1(C)OCCO1 ZINC000820281146 606938227 /nfs/dbraw/zinc/93/82/27/606938227.db2.gz SFTFZZVUUSLNFH-JTQLQIEISA-N -1 3 371.363 3.087 20 0 FGADHM C[C@H](CNc1ccc(C(F)(F)F)cc1-c1nn[n-]n1)CC1(C)OCCO1 ZINC000820281146 606938228 /nfs/dbraw/zinc/93/82/28/606938228.db2.gz SFTFZZVUUSLNFH-JTQLQIEISA-N -1 3 371.363 3.087 20 0 FGADHM O[C@@H](CCNc1ccc(C(F)(F)F)cc1-c1nnn[n-]1)c1ccccc1 ZINC000823674584 606941243 /nfs/dbraw/zinc/94/12/43/606941243.db2.gz ROWPXZYATHFCFQ-HNNXBMFYSA-N -1 3 363.343 3.421 20 0 FGADHM O[C@@H](CCNc1ccc(C(F)(F)F)cc1-c1nn[n-]n1)c1ccccc1 ZINC000823674584 606941244 /nfs/dbraw/zinc/94/12/44/606941244.db2.gz ROWPXZYATHFCFQ-HNNXBMFYSA-N -1 3 363.343 3.421 20 0 FGADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OC/C(Cl)=C\Cl ZINC000820031621 606946524 /nfs/dbraw/zinc/94/65/24/606946524.db2.gz GOXBXVQXONKEAF-RSPDNQDQSA-N -1 3 371.224 3.132 20 0 FGADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)OC/C(Cl)=C\Cl ZINC000820031621 606946525 /nfs/dbraw/zinc/94/65/25/606946525.db2.gz GOXBXVQXONKEAF-RSPDNQDQSA-N -1 3 371.224 3.132 20 0 FGADHM Cc1ccc(CNc2cccc(F)c2-c2nnn[n-]2)c(O[C@H]2CCOC2)c1 ZINC000822238373 606947933 /nfs/dbraw/zinc/94/79/33/606947933.db2.gz FGCKLHIDLQSESG-AWEZNQCLSA-N -1 3 369.400 3.094 20 0 FGADHM Cc1ccc(CNc2cccc(F)c2-c2nn[n-]n2)c(O[C@H]2CCOC2)c1 ZINC000822238373 606947935 /nfs/dbraw/zinc/94/79/35/606947935.db2.gz FGCKLHIDLQSESG-AWEZNQCLSA-N -1 3 369.400 3.094 20 0 FGADHM CN(C(=O)Cc1c(F)cccc1F)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821570849 606959163 /nfs/dbraw/zinc/95/91/63/606959163.db2.gz NZWDEYCVSPLHNI-UHFFFAOYSA-N -1 3 363.755 3.004 20 0 FGADHM CN(C(=O)Cc1c(F)cccc1F)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821570849 606959164 /nfs/dbraw/zinc/95/91/64/606959164.db2.gz NZWDEYCVSPLHNI-UHFFFAOYSA-N -1 3 363.755 3.004 20 0 FGADHM CN(C(=O)[C@@H]1CSc2ccccc21)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821569225 606960490 /nfs/dbraw/zinc/96/04/90/606960490.db2.gz CDCGFIPBDHEBPF-CYBMUJFWSA-N -1 3 371.853 3.372 20 0 FGADHM CN(C(=O)[C@@H]1CSc2ccccc21)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821569225 606960492 /nfs/dbraw/zinc/96/04/92/606960492.db2.gz CDCGFIPBDHEBPF-CYBMUJFWSA-N -1 3 371.853 3.372 20 0 FGADHM CN(C(=O)[C@H]1C[C@H]1Cc1ccccc1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821569205 606962071 /nfs/dbraw/zinc/96/20/71/606962071.db2.gz BUYDBAUXAIVYPZ-CJNGLKHVSA-N -1 3 367.840 3.362 20 0 FGADHM CN(C(=O)[C@H]1C[C@H]1Cc1ccccc1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821569205 606962072 /nfs/dbraw/zinc/96/20/72/606962072.db2.gz BUYDBAUXAIVYPZ-CJNGLKHVSA-N -1 3 367.840 3.362 20 0 FGADHM Cc1nc2ccccc2c(C)c1CC(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC000822463084 606974573 /nfs/dbraw/zinc/97/45/73/606974573.db2.gz PFZFXNUAHGLPIN-UHFFFAOYSA-N -1 3 372.432 3.237 20 0 FGADHM Cc1nc2ccccc2c(C)c1CC(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC000822463084 606974575 /nfs/dbraw/zinc/97/45/75/606974575.db2.gz PFZFXNUAHGLPIN-UHFFFAOYSA-N -1 3 372.432 3.237 20 0 FGADHM CC(C)c1ccccc1OCC(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820197981 606989896 /nfs/dbraw/zinc/98/98/96/606989896.db2.gz PYYBDXVICASAGH-UHFFFAOYSA-N -1 3 370.384 3.251 20 0 FGADHM CC(C)c1ccccc1OCC(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820197981 606989898 /nfs/dbraw/zinc/98/98/98/606989898.db2.gz PYYBDXVICASAGH-UHFFFAOYSA-N -1 3 370.384 3.251 20 0 FGADHM C[C@H](c1cccc(Cl)c1)S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000820563120 606990089 /nfs/dbraw/zinc/99/00/89/606990089.db2.gz OLDLKECBWVKRAW-LLVKDONJSA-N -1 3 362.842 3.196 20 0 FGADHM C[C@H](c1cccc(Cl)c1)S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000820563120 606990090 /nfs/dbraw/zinc/99/00/90/606990090.db2.gz OLDLKECBWVKRAW-LLVKDONJSA-N -1 3 362.842 3.196 20 0 FGADHM Cc1c2cc(C)ccc2[nH]c1C(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000822271154 606994225 /nfs/dbraw/zinc/99/42/25/606994225.db2.gz OKJVWEWZEOVJTA-UHFFFAOYSA-N -1 3 360.421 3.237 20 0 FGADHM Cc1c2cc(C)ccc2[nH]c1C(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000822271154 606994226 /nfs/dbraw/zinc/99/42/26/606994226.db2.gz OKJVWEWZEOVJTA-UHFFFAOYSA-N -1 3 360.421 3.237 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)c1cnc(Cl)c(Cl)c1 ZINC000823426632 606994690 /nfs/dbraw/zinc/99/46/90/606994690.db2.gz MKVZRRSMTSDSRC-UHFFFAOYSA-N -1 3 368.155 3.065 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)c1cnc(Cl)c(Cl)c1 ZINC000823426632 606994691 /nfs/dbraw/zinc/99/46/91/606994691.db2.gz MKVZRRSMTSDSRC-UHFFFAOYSA-N -1 3 368.155 3.065 20 0 FGADHM C[C@H](Cc1ccc(F)cc1)C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820294527 606996934 /nfs/dbraw/zinc/99/69/34/606996934.db2.gz UHBAYZBPAZUNOV-LLVKDONJSA-N -1 3 358.348 3.067 20 0 FGADHM C[C@H](Cc1ccc(F)cc1)C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820294527 606996935 /nfs/dbraw/zinc/99/69/35/606996935.db2.gz UHBAYZBPAZUNOV-LLVKDONJSA-N -1 3 358.348 3.067 20 0 FGADHM C[C@@H](CSc1ccccc1)C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820292339 606999474 /nfs/dbraw/zinc/99/94/74/606999474.db2.gz CWVKZCWFOPVLEG-LBPRGKRZSA-N -1 3 372.425 3.477 20 0 FGADHM C[C@@H](CSc1ccccc1)C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820292339 606999475 /nfs/dbraw/zinc/99/94/75/606999475.db2.gz CWVKZCWFOPVLEG-LBPRGKRZSA-N -1 3 372.425 3.477 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)c1cc2cc(F)ccc2o1 ZINC000823422333 607000764 /nfs/dbraw/zinc/00/07/64/607000764.db2.gz QTZILDNAWAAKOV-UHFFFAOYSA-N -1 3 356.288 3.248 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)c1cc2cc(F)ccc2o1 ZINC000823422333 607000766 /nfs/dbraw/zinc/00/07/66/607000766.db2.gz QTZILDNAWAAKOV-UHFFFAOYSA-N -1 3 356.288 3.248 20 0 FGADHM Fc1ccc(CSc2nc3cc(Cl)cnc3[nH]2)cc1-c1nnn[n-]1 ZINC000822774505 607005347 /nfs/dbraw/zinc/00/53/47/607005347.db2.gz KQFIEOGMJWTOBG-UHFFFAOYSA-N -1 3 361.793 3.223 20 0 FGADHM Fc1ccc(CSc2nc3cc(Cl)cnc3[nH]2)cc1-c1nn[n-]n1 ZINC000822774505 607005348 /nfs/dbraw/zinc/00/53/48/607005348.db2.gz KQFIEOGMJWTOBG-UHFFFAOYSA-N -1 3 361.793 3.223 20 0 FGADHM CCc1cc(=O)oc2cc(OCc3ccc(F)c(-c4nnn[n-]4)c3)ccc12 ZINC000821469979 607007035 /nfs/dbraw/zinc/00/70/35/607007035.db2.gz KEFAEGMGUFFTEA-UHFFFAOYSA-N -1 3 366.352 3.254 20 0 FGADHM CCc1cc(=O)oc2cc(OCc3ccc(F)c(-c4nn[n-]n4)c3)ccc12 ZINC000821469979 607007036 /nfs/dbraw/zinc/00/70/36/607007036.db2.gz KEFAEGMGUFFTEA-UHFFFAOYSA-N -1 3 366.352 3.254 20 0 FGADHM CC(=O)c1cccc(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)c1 ZINC000819832932 607011940 /nfs/dbraw/zinc/01/19/40/607011940.db2.gz CSNCDKPEVUNPBQ-UHFFFAOYSA-N -1 3 363.421 3.120 20 0 FGADHM CC(=O)c1cccc(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)c1 ZINC000819832932 607011941 /nfs/dbraw/zinc/01/19/41/607011941.db2.gz CSNCDKPEVUNPBQ-UHFFFAOYSA-N -1 3 363.421 3.120 20 0 FGADHM Cc1ccccc1CN(C)C(=O)[C@@H](C)Sc1cccc(-c2nnn[n-]2)c1 ZINC000822356461 607013773 /nfs/dbraw/zinc/01/37/73/607013773.db2.gz TYZDESGGVQTJDZ-CQSZACIVSA-N -1 3 367.478 3.314 20 0 FGADHM Cc1ccccc1CN(C)C(=O)[C@@H](C)Sc1cccc(-c2nn[n-]n2)c1 ZINC000822356461 607013774 /nfs/dbraw/zinc/01/37/74/607013774.db2.gz TYZDESGGVQTJDZ-CQSZACIVSA-N -1 3 367.478 3.314 20 0 FGADHM CC(C)CO[C@H](C)c1noc(CSc2cccc(-c3nnn[n-]3)c2)n1 ZINC000820096427 607016606 /nfs/dbraw/zinc/01/66/06/607016606.db2.gz CXOABMGKNVDQNR-LLVKDONJSA-N -1 3 360.443 3.276 20 0 FGADHM CC(C)CO[C@H](C)c1noc(CSc2cccc(-c3nn[n-]n3)c2)n1 ZINC000820096427 607016607 /nfs/dbraw/zinc/01/66/07/607016607.db2.gz CXOABMGKNVDQNR-LLVKDONJSA-N -1 3 360.443 3.276 20 0 FGADHM Cc1ccc(CSCC(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000822239947 607017600 /nfs/dbraw/zinc/01/76/00/607017600.db2.gz LMZPTIQAAXSWCR-UHFFFAOYSA-N -1 3 353.451 3.355 20 0 FGADHM Cc1ccc(CSCC(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000822239947 607017602 /nfs/dbraw/zinc/01/76/02/607017602.db2.gz LMZPTIQAAXSWCR-UHFFFAOYSA-N -1 3 353.451 3.355 20 0 FGADHM C[C@H]1CC[C@@H](CC(=O)N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC000820685425 607036094 /nfs/dbraw/zinc/03/60/94/607036094.db2.gz UHPQRZCUKCLPKT-LSDHHAIUSA-N -1 3 369.469 3.063 20 0 FGADHM Fc1cc(Br)cc2c1CCN(c1ccc(-c3nn[n-]n3)cc1)C2 ZINC000822748169 607044765 /nfs/dbraw/zinc/04/47/65/607044765.db2.gz LBXCKIJGMUOXKU-UHFFFAOYSA-N -1 3 374.217 3.331 20 0 FGADHM COc1ccc(C(C)(C)C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821772702 607051744 /nfs/dbraw/zinc/05/17/44/607051744.db2.gz MIHJVEIDWCBKMW-CYBMUJFWSA-N -1 3 365.437 3.030 20 0 FGADHM COc1ccc(C(C)(C)C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821772702 607051745 /nfs/dbraw/zinc/05/17/45/607051745.db2.gz MIHJVEIDWCBKMW-CYBMUJFWSA-N -1 3 365.437 3.030 20 0 FGADHM C[C@H](NCc1ccc(-c2nn[n-]n2)cc1F)c1cnn(-c2ccccc2)c1 ZINC000820426403 607057243 /nfs/dbraw/zinc/05/72/43/607057243.db2.gz JRYHESKSQWGELY-ZDUSSCGKSA-N -1 3 363.400 3.042 20 0 FGADHM Fc1cc(-c2nnn[n-]2)ccc1CN[C@@H](Cc1ccccc1)C(F)(F)F ZINC000822739622 607059782 /nfs/dbraw/zinc/05/97/82/607059782.db2.gz ARCOHRMODHUSRG-HNNXBMFYSA-N -1 3 365.334 3.269 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1CN[C@@H](Cc1ccccc1)C(F)(F)F ZINC000822739622 607059783 /nfs/dbraw/zinc/05/97/83/607059783.db2.gz ARCOHRMODHUSRG-HNNXBMFYSA-N -1 3 365.334 3.269 20 0 FGADHM C[C@H]1CN(Cc2cc(F)ccc2-c2nnn[n-]2)C[C@@H](c2ccc(F)cc2)O1 ZINC000820758755 607068086 /nfs/dbraw/zinc/06/80/86/607068086.db2.gz CNODKQQYGYBBIQ-SGTLLEGYSA-N -1 3 371.391 3.107 20 0 FGADHM C[C@H]1CN(Cc2cc(F)ccc2-c2nn[n-]n2)C[C@@H](c2ccc(F)cc2)O1 ZINC000820758755 607068087 /nfs/dbraw/zinc/06/80/87/607068087.db2.gz CNODKQQYGYBBIQ-SGTLLEGYSA-N -1 3 371.391 3.107 20 0 FGADHM CC(C)OCc1ccc(C(=O)OCc2cc(F)ccc2-c2nnn[n-]2)cc1 ZINC000820146569 607074509 /nfs/dbraw/zinc/07/45/09/607074509.db2.gz OEBIJRUCMJYFCR-UHFFFAOYSA-N -1 3 370.384 3.288 20 0 FGADHM CC(C)OCc1ccc(C(=O)OCc2cc(F)ccc2-c2nn[n-]n2)cc1 ZINC000820146569 607074510 /nfs/dbraw/zinc/07/45/10/607074510.db2.gz OEBIJRUCMJYFCR-UHFFFAOYSA-N -1 3 370.384 3.288 20 0 FGADHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)OCc1ccc(Cl)cc1 ZINC000820004754 607077296 /nfs/dbraw/zinc/07/72/96/607077296.db2.gz BACZAMRWOMXODS-UHFFFAOYSA-N -1 3 372.812 3.421 20 0 FGADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OCc1ccc(Cl)cc1 ZINC000820004754 607077297 /nfs/dbraw/zinc/07/72/97/607077297.db2.gz BACZAMRWOMXODS-UHFFFAOYSA-N -1 3 372.812 3.421 20 0 FGADHM O=C(OC[C@H]1CCCOC1)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000823396014 607081797 /nfs/dbraw/zinc/08/17/97/607081797.db2.gz COEGWCYHBDBPRR-AWEZNQCLSA-N -1 3 364.405 3.117 20 0 FGADHM O=C(OC[C@H]1CCCOC1)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000823396014 607081798 /nfs/dbraw/zinc/08/17/98/607081798.db2.gz COEGWCYHBDBPRR-AWEZNQCLSA-N -1 3 364.405 3.117 20 0 FGADHM CC(C)(Cc1ccccc1)C(=O)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000819987840 607084039 /nfs/dbraw/zinc/08/40/39/607084039.db2.gz OBJUXINMGKTYOS-UHFFFAOYSA-N -1 3 354.385 3.318 20 0 FGADHM CC(C)(Cc1ccccc1)C(=O)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000819987840 607084041 /nfs/dbraw/zinc/08/40/41/607084041.db2.gz OBJUXINMGKTYOS-UHFFFAOYSA-N -1 3 354.385 3.318 20 0 FGADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CCSc1ccccc1 ZINC000821305100 607102492 /nfs/dbraw/zinc/10/24/92/607102492.db2.gz WZBHYWXKHJYFQD-UHFFFAOYSA-N -1 3 368.466 3.419 20 0 FGADHM Cc1cc(C)n(-c2ccc([C@H](C)Nc3ncccc3-c3nnn[n-]3)cc2)n1 ZINC000822197788 607110040 /nfs/dbraw/zinc/11/00/40/607110040.db2.gz PIJACYVGGVWRNF-AWEZNQCLSA-N -1 3 360.425 3.237 20 0 FGADHM Cc1cc(C)n(-c2ccc([C@H](C)Nc3ncccc3-c3nn[n-]n3)cc2)n1 ZINC000822197788 607110041 /nfs/dbraw/zinc/11/00/41/607110041.db2.gz PIJACYVGGVWRNF-AWEZNQCLSA-N -1 3 360.425 3.237 20 0 FGADHM C[C@H]1CN(c2c(F)cc(-c3nnn[n-]3)cc2F)C[C@H](c2ccsc2)O1 ZINC000820769145 607115724 /nfs/dbraw/zinc/11/57/24/607115724.db2.gz RRRMGVADFYUUQI-LKFCYVNXSA-N -1 3 363.393 3.173 20 0 FGADHM C[C@H]1CN(c2c(F)cc(-c3nn[n-]n3)cc2F)C[C@H](c2ccsc2)O1 ZINC000820769145 607115725 /nfs/dbraw/zinc/11/57/25/607115725.db2.gz RRRMGVADFYUUQI-LKFCYVNXSA-N -1 3 363.393 3.173 20 0 FGADHM Cc1cccc([C@H](O)CNc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)c1 ZINC000822288811 607127649 /nfs/dbraw/zinc/12/76/49/607127649.db2.gz KAQYFDMWCSWDIB-OAHLLOKOSA-N -1 3 363.343 3.339 20 0 FGADHM CCc1cc(Oc2ccc(-c3nnn[n-]3)cc2F)nc(-c2ccccn2)n1 ZINC000821476957 607128198 /nfs/dbraw/zinc/12/81/98/607128198.db2.gz WQFSYTWUCNXUKR-UHFFFAOYSA-N -1 3 363.356 3.213 20 0 FGADHM CCc1cc(Oc2ccc(-c3nn[n-]n3)cc2F)nc(-c2ccccn2)n1 ZINC000821476957 607128199 /nfs/dbraw/zinc/12/81/99/607128199.db2.gz WQFSYTWUCNXUKR-UHFFFAOYSA-N -1 3 363.356 3.213 20 0 FGADHM COc1ccc(-c2cc(COc3ccc(-c4nnn[n-]4)cc3F)on2)cc1 ZINC000821727052 607137732 /nfs/dbraw/zinc/13/77/32/607137732.db2.gz AEGBFNQAOLROTH-UHFFFAOYSA-N -1 3 367.340 3.248 20 0 FGADHM COc1ccc(-c2cc(COc3ccc(-c4nn[n-]n4)cc3F)on2)cc1 ZINC000821727052 607137735 /nfs/dbraw/zinc/13/77/35/607137735.db2.gz AEGBFNQAOLROTH-UHFFFAOYSA-N -1 3 367.340 3.248 20 0 FGADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N1CCC[C@H]1CCC1CCCCC1 ZINC000822627975 607140197 /nfs/dbraw/zinc/14/01/97/607140197.db2.gz RVDZTNSUTIOMRQ-INIZCTEOSA-N -1 3 356.474 3.170 20 0 FGADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N1CCC[C@H]1CCC1CCCCC1 ZINC000822627975 607140199 /nfs/dbraw/zinc/14/01/99/607140199.db2.gz RVDZTNSUTIOMRQ-INIZCTEOSA-N -1 3 356.474 3.170 20 0 FGADHM C[C@H](NC(=O)Cc1ccc(F)cc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000820335142 607145455 /nfs/dbraw/zinc/14/54/55/607145455.db2.gz UHBLJMLYHTXPPK-JTQLQIEISA-N -1 3 359.792 3.079 20 0 FGADHM C[C@H](NC(=O)Cc1ccc(F)cc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000820335142 607145457 /nfs/dbraw/zinc/14/54/57/607145457.db2.gz UHBLJMLYHTXPPK-JTQLQIEISA-N -1 3 359.792 3.079 20 0 FGADHM CCC(=O)c1ccc(C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)cc1 ZINC000820836513 607156537 /nfs/dbraw/zinc/15/65/37/607156537.db2.gz AUWGBEOYITWMIO-UHFFFAOYSA-N -1 3 366.425 3.268 20 0 FGADHM CCC(=O)c1ccc(C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)cc1 ZINC000820836513 607156538 /nfs/dbraw/zinc/15/65/38/607156538.db2.gz AUWGBEOYITWMIO-UHFFFAOYSA-N -1 3 366.425 3.268 20 0 FGADHM C[C@H](Sc1ccc(-c2nnn[n-]2)cc1F)c1cn(-c2ccccc2)nn1 ZINC000820548502 607156720 /nfs/dbraw/zinc/15/67/20/607156720.db2.gz AWQNINKOMRGQSY-NSHDSACASA-N -1 3 367.413 3.440 20 0 FGADHM C[C@H](Sc1ccc(-c2nn[n-]n2)cc1F)c1cn(-c2ccccc2)nn1 ZINC000820548502 607156722 /nfs/dbraw/zinc/15/67/22/607156722.db2.gz AWQNINKOMRGQSY-NSHDSACASA-N -1 3 367.413 3.440 20 0 FGADHM Clc1ccccc1NCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000822589842 607165041 /nfs/dbraw/zinc/16/50/41/607165041.db2.gz AUFQKTQHMWDWFV-UHFFFAOYSA-N -1 3 353.773 3.182 20 0 FGADHM Clc1ccccc1NCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000822589842 607165043 /nfs/dbraw/zinc/16/50/43/607165043.db2.gz AUFQKTQHMWDWFV-UHFFFAOYSA-N -1 3 353.773 3.182 20 0 FGADHM CCC(=O)c1ccc(OCCOc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000820842692 607169532 /nfs/dbraw/zinc/16/95/32/607169532.db2.gz PQAUWOQAIVUJIX-UHFFFAOYSA-N -1 3 356.357 3.056 20 0 FGADHM CCC(=O)c1ccc(OCCOc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000820842692 607169533 /nfs/dbraw/zinc/16/95/33/607169533.db2.gz PQAUWOQAIVUJIX-UHFFFAOYSA-N -1 3 356.357 3.056 20 0 FGADHM Fc1cccc2c1N(C(=S)Nc1ccc(-c3nnn[n-]3)c(Cl)c1)CC2 ZINC000822790936 607171542 /nfs/dbraw/zinc/17/15/42/607171542.db2.gz AMVNIVLMPWNWRL-UHFFFAOYSA-N -1 3 374.832 3.419 20 0 FGADHM Fc1cccc2c1N(C(=S)Nc1ccc(-c3nn[n-]n3)c(Cl)c1)CC2 ZINC000822790936 607171543 /nfs/dbraw/zinc/17/15/43/607171543.db2.gz AMVNIVLMPWNWRL-UHFFFAOYSA-N -1 3 374.832 3.419 20 0 FGADHM Cc1cccc(-c2cncc(C(=O)NCc3cccc(-c4nnn[n-]4)c3)c2)c1 ZINC000822284398 607177692 /nfs/dbraw/zinc/17/76/92/607177692.db2.gz QZJQMPKPMUXMJW-UHFFFAOYSA-N -1 3 370.416 3.167 20 0 FGADHM Cc1cccc(-c2cncc(C(=O)NCc3cccc(-c4nn[n-]n4)c3)c2)c1 ZINC000822284398 607177693 /nfs/dbraw/zinc/17/76/93/607177693.db2.gz QZJQMPKPMUXMJW-UHFFFAOYSA-N -1 3 370.416 3.167 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC000823315299 607192160 /nfs/dbraw/zinc/19/21/60/607192160.db2.gz WZWYJHXGIIURGF-CHWSQXEVSA-N -1 3 357.776 3.401 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC000823315299 607192161 /nfs/dbraw/zinc/19/21/61/607192161.db2.gz WZWYJHXGIIURGF-CHWSQXEVSA-N -1 3 357.776 3.401 20 0 FGADHM CCC[C@H](C)[C@@H]1CCCN1C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC000821014462 607194102 /nfs/dbraw/zinc/19/41/02/607194102.db2.gz HKZIKGUODFTGPC-WFASDCNBSA-N -1 3 358.446 3.308 20 0 FGADHM CCC[C@H](C)[C@@H]1CCCN1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC000821014462 607194103 /nfs/dbraw/zinc/19/41/03/607194103.db2.gz HKZIKGUODFTGPC-WFASDCNBSA-N -1 3 358.446 3.308 20 0 FGADHM O=C(NCCc1ccc(F)cc1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823223795 607199302 /nfs/dbraw/zinc/19/93/02/607199302.db2.gz JSODIDJNGJODED-UHFFFAOYSA-N -1 3 360.780 3.023 20 0 FGADHM O=C(NCCc1ccc(F)cc1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823223795 607199303 /nfs/dbraw/zinc/19/93/03/607199303.db2.gz JSODIDJNGJODED-UHFFFAOYSA-N -1 3 360.780 3.023 20 0 FGADHM CC[C@H](NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)c1nccs1 ZINC000820921039 607201616 /nfs/dbraw/zinc/20/16/16/607201616.db2.gz VBDVEYNFMDWMTA-JTQLQIEISA-N -1 3 363.834 3.249 20 0 FGADHM CC[C@H](NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)c1nccs1 ZINC000820921039 607201617 /nfs/dbraw/zinc/20/16/17/607201617.db2.gz VBDVEYNFMDWMTA-JTQLQIEISA-N -1 3 363.834 3.249 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)c(NCc2ccc(OCC(F)(F)F)cc2)n1 ZINC000822215251 607227682 /nfs/dbraw/zinc/22/76/82/607227682.db2.gz SOAIWOKBSUUBKM-UHFFFAOYSA-N -1 3 364.331 3.123 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)c(NCc2ccc(OCC(F)(F)F)cc2)n1 ZINC000822215251 607227683 /nfs/dbraw/zinc/22/76/83/607227683.db2.gz SOAIWOKBSUUBKM-UHFFFAOYSA-N -1 3 364.331 3.123 20 0 FGADHM C[C@@H](NC(=O)c1ncc(-c2nnn[n-]2)cc1Cl)c1ccc(Cl)cc1 ZINC000820404148 607231244 /nfs/dbraw/zinc/23/12/44/607231244.db2.gz QAUBAGURDNRLNJ-MRVPVSSYSA-N -1 3 363.208 3.060 20 0 FGADHM C[C@@H](NC(=O)c1ncc(-c2nn[n-]n2)cc1Cl)c1ccc(Cl)cc1 ZINC000820404148 607231245 /nfs/dbraw/zinc/23/12/45/607231245.db2.gz QAUBAGURDNRLNJ-MRVPVSSYSA-N -1 3 363.208 3.060 20 0 FGADHM CCc1c(C)sc(NC(=O)c2cncc(OC(C)C)c2)c1-c1nnn[n-]1 ZINC000821465761 607237945 /nfs/dbraw/zinc/23/79/45/607237945.db2.gz OEJGGKNCEZCMFD-UHFFFAOYSA-N -1 3 372.454 3.234 20 0 FGADHM CCc1c(C)sc(NC(=O)c2cncc(OC(C)C)c2)c1-c1nn[n-]n1 ZINC000821465761 607237946 /nfs/dbraw/zinc/23/79/46/607237946.db2.gz OEJGGKNCEZCMFD-UHFFFAOYSA-N -1 3 372.454 3.234 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1occc1Br ZINC000823319079 607241007 /nfs/dbraw/zinc/24/10/07/607241007.db2.gz QHUILBAROUDSMU-UHFFFAOYSA-N -1 3 368.578 3.128 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1occc1Br ZINC000823319079 607241008 /nfs/dbraw/zinc/24/10/08/607241008.db2.gz QHUILBAROUDSMU-UHFFFAOYSA-N -1 3 368.578 3.128 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1ncoc1-c1ccccc1 ZINC000823319338 607242554 /nfs/dbraw/zinc/24/25/54/607242554.db2.gz SRDFURHWHRJNFO-UHFFFAOYSA-N -1 3 366.768 3.427 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1ncoc1-c1ccccc1 ZINC000823319338 607242555 /nfs/dbraw/zinc/24/25/55/607242555.db2.gz SRDFURHWHRJNFO-UHFFFAOYSA-N -1 3 366.768 3.427 20 0 FGADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)c1ccc2ccc(Cl)cc2n1 ZINC000823450234 607249279 /nfs/dbraw/zinc/24/92/79/607249279.db2.gz LHHHDWKBRDSGTR-UHFFFAOYSA-N -1 3 369.743 3.427 20 0 FGADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)c1ccc2ccc(Cl)cc2n1 ZINC000823450234 607249280 /nfs/dbraw/zinc/24/92/80/607249280.db2.gz LHHHDWKBRDSGTR-UHFFFAOYSA-N -1 3 369.743 3.427 20 0 FGADHM Cc1nc(C(C)(C)C)sc1C(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000822424493 607249453 /nfs/dbraw/zinc/24/94/53/607249453.db2.gz WHIZGDSVUQVOCM-UHFFFAOYSA-N -1 3 361.402 3.287 20 0 FGADHM Cc1nc(C(C)(C)C)sc1C(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000822424493 607249454 /nfs/dbraw/zinc/24/94/54/607249454.db2.gz WHIZGDSVUQVOCM-UHFFFAOYSA-N -1 3 361.402 3.287 20 0 FGADHM COc1ccccc1C[C@H](C)CC(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000821889827 607249456 /nfs/dbraw/zinc/24/94/56/607249456.db2.gz GMPBOOFWWBLLQJ-LBPRGKRZSA-N -1 3 370.384 3.189 20 0 FGADHM COc1ccccc1C[C@H](C)CC(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000821889827 607249457 /nfs/dbraw/zinc/24/94/57/607249457.db2.gz GMPBOOFWWBLLQJ-LBPRGKRZSA-N -1 3 370.384 3.189 20 0 FGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCC1(C2CC2)CCC1 ZINC000824293449 607782013 /nfs/dbraw/zinc/78/20/13/607782013.db2.gz MBNNJRVVMLPWGW-UHFFFAOYSA-N -1 3 368.485 3.367 20 0 FGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCC1(C2CC2)CCC1 ZINC000824293449 607782014 /nfs/dbraw/zinc/78/20/14/607782014.db2.gz MBNNJRVVMLPWGW-UHFFFAOYSA-N -1 3 368.485 3.367 20 0 FGADHM CC[C@H](CC(=O)Nc1sccc1-c1nnn[n-]1)c1ccc(OC)cc1 ZINC000825082946 607782905 /nfs/dbraw/zinc/78/29/05/607782905.db2.gz WDHMULZZPRGWJP-LLVKDONJSA-N -1 3 357.439 3.459 20 0 FGADHM CC[C@H](CC(=O)Nc1sccc1-c1nn[n-]n1)c1ccc(OC)cc1 ZINC000825082946 607782906 /nfs/dbraw/zinc/78/29/06/607782906.db2.gz WDHMULZZPRGWJP-LLVKDONJSA-N -1 3 357.439 3.459 20 0 FGADHM CC(C)Cc1ccc(CCC(=O)Nc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000824280041 607785197 /nfs/dbraw/zinc/78/51/97/607785197.db2.gz BSHZMYWOHJXHIE-UHFFFAOYSA-N -1 3 350.426 3.032 20 0 FGADHM CC(C)Cc1ccc(CCC(=O)Nc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000824280041 607785198 /nfs/dbraw/zinc/78/51/98/607785198.db2.gz BSHZMYWOHJXHIE-UHFFFAOYSA-N -1 3 350.426 3.032 20 0 FGADHM C[C@H](CC(=O)Nc1ccc(F)cc1-c1nnn[n-]1)c1ccc(F)cc1F ZINC000824385514 607785988 /nfs/dbraw/zinc/78/59/88/607785988.db2.gz VZNPFWAALOJTCI-SECBINFHSA-N -1 3 361.327 3.416 20 0 FGADHM C[C@H](CC(=O)Nc1ccc(F)cc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC000824385514 607785989 /nfs/dbraw/zinc/78/59/89/607785989.db2.gz VZNPFWAALOJTCI-SECBINFHSA-N -1 3 361.327 3.416 20 0 FGADHM CC(C)c1cccc(O[C@H](C)C(=O)N(C)c2ccccc2-c2nnn[n-]2)c1 ZINC000824739652 607786998 /nfs/dbraw/zinc/78/69/98/607786998.db2.gz YSAFJOWXWHZEAH-CQSZACIVSA-N -1 3 365.437 3.420 20 0 FGADHM CC(C)c1cccc(O[C@H](C)C(=O)N(C)c2ccccc2-c2nn[n-]n2)c1 ZINC000824739652 607786999 /nfs/dbraw/zinc/78/69/99/607786999.db2.gz YSAFJOWXWHZEAH-CQSZACIVSA-N -1 3 365.437 3.420 20 0 FGADHM CCN(c1ccc(C(=O)N(C)c2ccccc2-c2nnn[n-]2)cc1)C(C)C ZINC000825445184 607789573 /nfs/dbraw/zinc/78/95/73/607789573.db2.gz WXZBQBXOSNXPNC-UHFFFAOYSA-N -1 3 364.453 3.378 20 0 FGADHM CCN(c1ccc(C(=O)N(C)c2ccccc2-c2nn[n-]n2)cc1)C(C)C ZINC000825445184 607789574 /nfs/dbraw/zinc/78/95/74/607789574.db2.gz WXZBQBXOSNXPNC-UHFFFAOYSA-N -1 3 364.453 3.378 20 0 FGADHM CCCCOc1ccc(C(=O)N(C)c2ccccc2-c2nnn[n-]2)cc1 ZINC000825290740 607790539 /nfs/dbraw/zinc/79/05/39/607790539.db2.gz GZQMNOVFPAZGCV-UHFFFAOYSA-N -1 3 351.410 3.322 20 0 FGADHM CCCCOc1ccc(C(=O)N(C)c2ccccc2-c2nn[n-]n2)cc1 ZINC000825290740 607790540 /nfs/dbraw/zinc/79/05/40/607790540.db2.gz GZQMNOVFPAZGCV-UHFFFAOYSA-N -1 3 351.410 3.322 20 0 FGADHM C[C@H](CC(=O)Oc1ccc(-c2nnn[n-]2)cc1F)c1ccc(F)cc1F ZINC000824394611 607791047 /nfs/dbraw/zinc/79/10/47/607791047.db2.gz YKQCSAQXNQSLHG-SECBINFHSA-N -1 3 362.311 3.383 20 0 FGADHM C[C@H](CC(=O)Oc1ccc(-c2nn[n-]n2)cc1F)c1ccc(F)cc1F ZINC000824394611 607791048 /nfs/dbraw/zinc/79/10/48/607791048.db2.gz YKQCSAQXNQSLHG-SECBINFHSA-N -1 3 362.311 3.383 20 0 FGADHM Cc1c2cccc(F)c2oc1C(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC000826234118 607791138 /nfs/dbraw/zinc/79/11/38/607791138.db2.gz IWSKVNJEFWHAMQ-UHFFFAOYSA-N -1 3 351.341 3.337 20 0 FGADHM Cc1c2cccc(F)c2oc1C(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC000826234118 607791139 /nfs/dbraw/zinc/79/11/39/607791139.db2.gz IWSKVNJEFWHAMQ-UHFFFAOYSA-N -1 3 351.341 3.337 20 0 FGADHM CC1(C)C[C@@H]1C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000824796056 607793870 /nfs/dbraw/zinc/79/38/70/607793870.db2.gz LYIHPMXQABIDKE-CYBMUJFWSA-N -1 3 353.451 3.258 20 0 FGADHM COCCN(C(=O)[C@H]1CC[C@H](C(C)C)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826159629 607795838 /nfs/dbraw/zinc/79/58/38/607795838.db2.gz LXIQYUJXWRLKDV-JCNLHEQBSA-N -1 3 371.485 3.309 20 0 FGADHM COCCN(C(=O)[C@H]1CC[C@H](C(C)C)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826159629 607795839 /nfs/dbraw/zinc/79/58/39/607795839.db2.gz LXIQYUJXWRLKDV-JCNLHEQBSA-N -1 3 371.485 3.309 20 0 FGADHM CCN(C(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000825366506 607796123 /nfs/dbraw/zinc/79/61/23/607796123.db2.gz ATQIPUCBSOYODA-GOEBONIOSA-N -1 3 369.375 3.302 20 0 FGADHM CCN(C(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000825366506 607796124 /nfs/dbraw/zinc/79/61/24/607796124.db2.gz ATQIPUCBSOYODA-GOEBONIOSA-N -1 3 369.375 3.302 20 0 FGADHM CCN(C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825366971 607799875 /nfs/dbraw/zinc/79/98/75/607799875.db2.gz HRSGYADCYJCLHJ-IAGOWNOFSA-N -1 3 351.385 3.162 20 0 FGADHM CCN(C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825366971 607799876 /nfs/dbraw/zinc/79/98/76/607799876.db2.gz HRSGYADCYJCLHJ-IAGOWNOFSA-N -1 3 351.385 3.162 20 0 FGADHM CCN(C(=O)CCc1cn(C)c2ccccc12)c1ccc(-c2nnn[n-]2)cc1 ZINC000825371445 607800722 /nfs/dbraw/zinc/80/07/22/607800722.db2.gz GPDBVJFUVZZCLD-UHFFFAOYSA-N -1 3 374.448 3.344 20 0 FGADHM CCN(C(=O)CCc1cn(C)c2ccccc12)c1ccc(-c2nn[n-]n2)cc1 ZINC000825371445 607800723 /nfs/dbraw/zinc/80/07/23/607800723.db2.gz GPDBVJFUVZZCLD-UHFFFAOYSA-N -1 3 374.448 3.344 20 0 FGADHM O=C1OC(c2ccc(-c3nnn[n-]3)cc2)=NC1=Cc1cc(Cl)ccc1F ZINC000826483424 607807573 /nfs/dbraw/zinc/80/75/73/607807573.db2.gz NCTGPYRYEGLPOO-RIYZIHGNSA-N -1 3 369.743 3.004 20 0 FGADHM O=C1OC(c2ccc(-c3nn[n-]n3)cc2)=NC1=Cc1cc(Cl)ccc1F ZINC000826483424 607807574 /nfs/dbraw/zinc/80/75/74/607807574.db2.gz NCTGPYRYEGLPOO-RIYZIHGNSA-N -1 3 369.743 3.004 20 0 FGADHM Clc1cccc(-c2nnn[n-]2)c1N1CCO[C@@]2(CCc3ccccc32)C1 ZINC000826352862 607811150 /nfs/dbraw/zinc/81/11/50/607811150.db2.gz QSOASMYGSSLCCE-IBGZPJMESA-N -1 3 367.840 3.198 20 0 FGADHM Clc1cccc(-c2nn[n-]n2)c1N1CCO[C@@]2(CCc3ccccc32)C1 ZINC000826352862 607811151 /nfs/dbraw/zinc/81/11/51/607811151.db2.gz QSOASMYGSSLCCE-IBGZPJMESA-N -1 3 367.840 3.198 20 0 FGADHM C[C@@H]1CN(c2ccc3cc(-c4nnn[n-]4)ccc3n2)C[C@@H](c2ccccc2)O1 ZINC000824999123 607840284 /nfs/dbraw/zinc/84/02/84/607840284.db2.gz CNTYPGRJNDMMMM-KUHUBIRLSA-N -1 3 372.432 3.381 20 0 FGADHM C[C@@H]1CN(c2ccc3cc(-c4nn[n-]n4)ccc3n2)C[C@@H](c2ccccc2)O1 ZINC000824999123 607840285 /nfs/dbraw/zinc/84/02/85/607840285.db2.gz CNTYPGRJNDMMMM-KUHUBIRLSA-N -1 3 372.432 3.381 20 0 FGADHM CC(C)CCNC(=O)[C@H](C)Sc1ccc(-c2nnn[n-]2)cc1Cl ZINC000824249871 607844236 /nfs/dbraw/zinc/84/42/36/607844236.db2.gz WDMKGJIRHUKPJH-JTQLQIEISA-N -1 3 353.879 3.163 20 0 FGADHM CC(C)CCNC(=O)[C@H](C)Sc1ccc(-c2nn[n-]n2)cc1Cl ZINC000824249871 607844237 /nfs/dbraw/zinc/84/42/37/607844237.db2.gz WDMKGJIRHUKPJH-JTQLQIEISA-N -1 3 353.879 3.163 20 0 FGADHM Cc1cccc(C(=O)OCCOc2cccc(-c3nnn[n-]3)c2)c1Cl ZINC000826296048 607857509 /nfs/dbraw/zinc/85/75/09/607857509.db2.gz HTVHDNRYSYEGRS-UHFFFAOYSA-N -1 3 358.785 3.064 20 0 FGADHM Cc1cccc(C(=O)OCCOc2cccc(-c3nn[n-]n3)c2)c1Cl ZINC000826296048 607857510 /nfs/dbraw/zinc/85/75/10/607857510.db2.gz HTVHDNRYSYEGRS-UHFFFAOYSA-N -1 3 358.785 3.064 20 0 FGADHM CCN(C(=O)[C@@H]1CC1(Cl)Cl)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825367423 607877787 /nfs/dbraw/zinc/87/77/87/607877787.db2.gz PTOJMPVNERKLHC-VIFPVBQESA-N -1 3 360.632 3.067 20 0 FGADHM CCN(C(=O)[C@@H]1CC1(Cl)Cl)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825367423 607877788 /nfs/dbraw/zinc/87/77/88/607877788.db2.gz PTOJMPVNERKLHC-VIFPVBQESA-N -1 3 360.632 3.067 20 0 FGADHM CCN(C(=O)Cc1cccc(F)c1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825376217 607878977 /nfs/dbraw/zinc/87/89/77/607878977.db2.gz DHNYJMAGFSXHHN-UHFFFAOYSA-N -1 3 359.792 3.255 20 0 FGADHM CCN(C(=O)Cc1cccc(F)c1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825376217 607878978 /nfs/dbraw/zinc/87/89/78/607878978.db2.gz DHNYJMAGFSXHHN-UHFFFAOYSA-N -1 3 359.792 3.255 20 0 FGADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000825971352 607881380 /nfs/dbraw/zinc/88/13/80/607881380.db2.gz CLLSIPAVNDUXOC-LZLYRXPVSA-N -1 3 353.470 3.432 20 0 FGADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000825971352 607881381 /nfs/dbraw/zinc/88/13/81/607881381.db2.gz CLLSIPAVNDUXOC-LZLYRXPVSA-N -1 3 353.470 3.432 20 0 FGADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000825958472 607881462 /nfs/dbraw/zinc/88/14/62/607881462.db2.gz XVVYFPSCIOVHNR-KBAYOESNSA-N -1 3 353.470 3.432 20 0 FGADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000825958472 607881463 /nfs/dbraw/zinc/88/14/63/607881463.db2.gz XVVYFPSCIOVHNR-KBAYOESNSA-N -1 3 353.470 3.432 20 0 FGADHM COc1ccc(CNC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)cc1-c1nnn[n-]1 ZINC000826195995 607908481 /nfs/dbraw/zinc/90/84/81/607908481.db2.gz NFLDWKIYFSAZRL-ARFHVFGLSA-N -1 3 369.469 3.098 20 0 FGADHM COc1ccc(CNC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)cc1-c1nn[n-]n1 ZINC000826195995 607908482 /nfs/dbraw/zinc/90/84/82/607908482.db2.gz NFLDWKIYFSAZRL-ARFHVFGLSA-N -1 3 369.469 3.098 20 0 FGADHM C[C@@H](Cc1ccc(Cl)s1)OC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000824456952 607924743 /nfs/dbraw/zinc/92/47/43/607924743.db2.gz BQQWQSPMNWTVAV-JTQLQIEISA-N -1 3 362.842 3.299 20 0 FGADHM C[C@@H](Cc1ccc(Cl)s1)OC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000824456952 607924744 /nfs/dbraw/zinc/92/47/44/607924744.db2.gz BQQWQSPMNWTVAV-JTQLQIEISA-N -1 3 362.842 3.299 20 0 FGADHM C[C@H](Cc1cccc(Cl)c1)C(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC000824459056 607927019 /nfs/dbraw/zinc/92/70/19/607927019.db2.gz YYIDUFFVRNJSTM-GFCCVEGCSA-N -1 3 355.829 3.362 20 0 FGADHM C[C@H](Cc1cccc(Cl)c1)C(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC000824459056 607927020 /nfs/dbraw/zinc/92/70/20/607927020.db2.gz YYIDUFFVRNJSTM-GFCCVEGCSA-N -1 3 355.829 3.362 20 0 FGADHM CCOc1ccc(NC(=S)N2CCc3ccc(-c4nnn[n-]4)cc32)cc1 ZINC000825643511 607930279 /nfs/dbraw/zinc/93/02/79/607930279.db2.gz OZXAMSDWOZDVND-UHFFFAOYSA-N -1 3 366.450 3.025 20 0 FGADHM CCOc1ccc(NC(=S)N2CCc3ccc(-c4nn[n-]n4)cc32)cc1 ZINC000825643511 607930280 /nfs/dbraw/zinc/93/02/80/607930280.db2.gz OZXAMSDWOZDVND-UHFFFAOYSA-N -1 3 366.450 3.025 20 0 FGADHM Cc1ccc(NC(=S)N2CCc3ccc(-c4nnn[n-]4)cc32)cc1C ZINC000826291633 607930581 /nfs/dbraw/zinc/93/05/81/607930581.db2.gz OMDSKYNWYXKBBF-UHFFFAOYSA-N -1 3 350.451 3.243 20 0 FGADHM Cc1ccc(NC(=S)N2CCc3ccc(-c4nn[n-]n4)cc32)cc1C ZINC000826291633 607930582 /nfs/dbraw/zinc/93/05/82/607930582.db2.gz OMDSKYNWYXKBBF-UHFFFAOYSA-N -1 3 350.451 3.243 20 0 FGADHM CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000825152880 607948651 /nfs/dbraw/zinc/94/86/51/607948651.db2.gz DXCPAGVUSZBMEV-SKDZVZGDSA-N -1 3 369.469 3.130 20 0 FGADHM CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000825152880 607948652 /nfs/dbraw/zinc/94/86/52/607948652.db2.gz DXCPAGVUSZBMEV-SKDZVZGDSA-N -1 3 369.469 3.130 20 0 FGADHM O=C(c1cccc(Cl)c1Cl)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826473860 607954620 /nfs/dbraw/zinc/95/46/20/607954620.db2.gz RIPUVOVVNMFGQI-UHFFFAOYSA-N -1 3 360.204 3.376 20 0 FGADHM O=C(c1cccc(Cl)c1Cl)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826473860 607954621 /nfs/dbraw/zinc/95/46/21/607954621.db2.gz RIPUVOVVNMFGQI-UHFFFAOYSA-N -1 3 360.204 3.376 20 0 FGADHM Cc1cccc(C(=O)N(C)c2ccccc2-c2nnn[n-]2)c1Br ZINC000826296432 607963393 /nfs/dbraw/zinc/96/33/93/607963393.db2.gz WIAVMXSHUCLIEU-UHFFFAOYSA-N -1 3 372.226 3.214 20 0 FGADHM Cc1cccc(C(=O)N(C)c2ccccc2-c2nn[n-]n2)c1Br ZINC000826296432 607963394 /nfs/dbraw/zinc/96/33/94/607963394.db2.gz WIAVMXSHUCLIEU-UHFFFAOYSA-N -1 3 372.226 3.214 20 0 FGADHM CC(=Cc1ccc(Cl)cc1)C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000823942612 607969387 /nfs/dbraw/zinc/96/93/87/607969387.db2.gz GZRNESQFUZDSIF-XFXZXTDPSA-N -1 3 353.813 3.240 20 0 FGADHM CC(=Cc1ccc(Cl)cc1)C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000823942612 607969388 /nfs/dbraw/zinc/96/93/88/607969388.db2.gz GZRNESQFUZDSIF-XFXZXTDPSA-N -1 3 353.813 3.240 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)c1cnc2ccc(F)cc2c1 ZINC000826465983 607978140 /nfs/dbraw/zinc/97/81/40/607978140.db2.gz KVJKQLMGZFPBBW-UHFFFAOYSA-N -1 3 367.315 3.050 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)c1cnc2ccc(F)cc2c1 ZINC000826465983 607978141 /nfs/dbraw/zinc/97/81/41/607978141.db2.gz KVJKQLMGZFPBBW-UHFFFAOYSA-N -1 3 367.315 3.050 20 0 FGADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCC1CCC(C)(C)CC1 ZINC000825958437 607981003 /nfs/dbraw/zinc/98/10/03/607981003.db2.gz WLVJBCQYBMVLOD-UHFFFAOYSA-N -1 3 356.474 3.225 20 0 FGADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCC1CCC(C)(C)CC1 ZINC000825958437 607981004 /nfs/dbraw/zinc/98/10/04/607981004.db2.gz WLVJBCQYBMVLOD-UHFFFAOYSA-N -1 3 356.474 3.225 20 0 FGADHM O[C@@H](CSc1cc(-c2nnn[n-]2)ccn1)c1ccc(Cl)cc1Cl ZINC000826505227 607982518 /nfs/dbraw/zinc/98/25/18/607982518.db2.gz PZSXIFYNHZAUFW-LBPRGKRZSA-N -1 3 368.249 3.394 20 0 FGADHM O[C@@H](CSc1cc(-c2nn[n-]n2)ccn1)c1ccc(Cl)cc1Cl ZINC000826505227 607982519 /nfs/dbraw/zinc/98/25/19/607982519.db2.gz PZSXIFYNHZAUFW-LBPRGKRZSA-N -1 3 368.249 3.394 20 0 FGADHM COc1ccc(CSCC(=O)Nc2ccc(C)cc2)cc1-c1nnn[n-]1 ZINC000826207645 607983817 /nfs/dbraw/zinc/98/38/17/607983817.db2.gz WQNVKZYTQOCZJT-UHFFFAOYSA-N -1 3 369.450 3.056 20 0 FGADHM COc1ccc(CSCC(=O)Nc2ccc(C)cc2)cc1-c1nn[n-]n1 ZINC000826207645 607983818 /nfs/dbraw/zinc/98/38/18/607983818.db2.gz WQNVKZYTQOCZJT-UHFFFAOYSA-N -1 3 369.450 3.056 20 0 FGADHM COc1ccc(C[C@@H](C)C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826191464 607993096 /nfs/dbraw/zinc/99/30/96/607993096.db2.gz HNXBUZWILLZANM-ZIAGYGMSSA-N -1 3 366.421 3.358 20 0 FGADHM COc1ccc(C[C@@H](C)C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826191464 607993097 /nfs/dbraw/zinc/99/30/97/607993097.db2.gz HNXBUZWILLZANM-ZIAGYGMSSA-N -1 3 366.421 3.358 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cnc2ccc(F)cc2c1 ZINC000826452419 608000374 /nfs/dbraw/zinc/00/03/74/608000374.db2.gz SLENTQQKSJXZHT-UHFFFAOYSA-N -1 3 368.759 3.460 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cnc2ccc(F)cc2c1 ZINC000826452419 608000375 /nfs/dbraw/zinc/00/03/75/608000375.db2.gz SLENTQQKSJXZHT-UHFFFAOYSA-N -1 3 368.759 3.460 20 0 FGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)Nc1cncc2ccccc21 ZINC000826420797 608004079 /nfs/dbraw/zinc/00/40/79/608004079.db2.gz CMNJHGLLLMOZDG-UHFFFAOYSA-N -1 3 362.418 3.146 20 0 FGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)Nc1cncc2ccccc21 ZINC000826420797 608004080 /nfs/dbraw/zinc/00/40/80/608004080.db2.gz CMNJHGLLLMOZDG-UHFFFAOYSA-N -1 3 362.418 3.146 20 0 FGADHM Cc1ccc(-c2ncco2)cc1NC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000826273531 608004329 /nfs/dbraw/zinc/00/43/29/608004329.db2.gz IMDTWPRUOZXGAY-UHFFFAOYSA-N -1 3 374.404 3.401 20 0 FGADHM Cc1ccc(-c2ncco2)cc1NC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000826273531 608004330 /nfs/dbraw/zinc/00/43/30/608004330.db2.gz IMDTWPRUOZXGAY-UHFFFAOYSA-N -1 3 374.404 3.401 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCc2c([nH]c3ccccc32)C1 ZINC000826278333 608007449 /nfs/dbraw/zinc/00/74/49/608007449.db2.gz YIUBYZUZJIAGFN-UHFFFAOYSA-N -1 3 373.420 3.247 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCc2c([nH]c3ccccc32)C1 ZINC000826278333 608007450 /nfs/dbraw/zinc/00/74/50/608007450.db2.gz YIUBYZUZJIAGFN-UHFFFAOYSA-N -1 3 373.420 3.247 20 0 FGADHM CC(C)[C@H]1CCc2ccccc2N1C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000824226533 608029609 /nfs/dbraw/zinc/02/96/09/608029609.db2.gz ZZKXZNOKWGGODF-GOSISDBHSA-N -1 3 361.449 3.413 20 0 FGADHM CC(C)[C@H]1CCc2ccccc2N1C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000824226533 608029610 /nfs/dbraw/zinc/02/96/10/608029610.db2.gz ZZKXZNOKWGGODF-GOSISDBHSA-N -1 3 361.449 3.413 20 0 FGADHM O=C(c1ccc(-c2nnn[n-]2)cc1)N1CCCC[C@@H]1CCc1ccccc1 ZINC000826471516 608032290 /nfs/dbraw/zinc/03/22/90/608032290.db2.gz CFAYQUMWAXPNJZ-LJQANCHMSA-N -1 3 361.449 3.494 20 0 FGADHM O=C(c1ccc(-c2nn[n-]n2)cc1)N1CCCC[C@@H]1CCc1ccccc1 ZINC000826471516 608032291 /nfs/dbraw/zinc/03/22/91/608032291.db2.gz CFAYQUMWAXPNJZ-LJQANCHMSA-N -1 3 361.449 3.494 20 0 FGADHM CCOCCC1(CNc2ccc(-c3nn[n-]n3)cc2Br)CC1 ZINC000825589545 608051385 /nfs/dbraw/zinc/05/13/85/608051385.db2.gz GKOUTEVNANKXJZ-UHFFFAOYSA-N -1 3 366.263 3.248 20 0 FGADHM FC(F)C1CCN(c2ccc(-c3nn[n-]n3)cc2Br)CC1 ZINC000826369718 608051579 /nfs/dbraw/zinc/05/15/79/608051579.db2.gz ODUFQLVZHMZORE-UHFFFAOYSA-N -1 3 358.190 3.111 20 0 FGADHM Fc1ccc(C2(CNc3ncc(-c4nnn[n-]4)cc3Cl)CC2)c(F)c1 ZINC000826374055 608053427 /nfs/dbraw/zinc/05/34/27/608053427.db2.gz JVHUWDYSPUXVJY-UHFFFAOYSA-N -1 3 362.771 3.337 20 0 FGADHM Fc1ccc(C2(CNc3ncc(-c4nn[n-]n4)cc3Cl)CC2)c(F)c1 ZINC000826374055 608053428 /nfs/dbraw/zinc/05/34/28/608053428.db2.gz JVHUWDYSPUXVJY-UHFFFAOYSA-N -1 3 362.771 3.337 20 0 FGADHM C[C@@H](OC(=O)C1=Cc2cc(F)ccc2OC1)c1cccc(-c2nnn[n-]2)c1 ZINC000824713999 608075276 /nfs/dbraw/zinc/07/52/76/608075276.db2.gz LVSLRKOUSPRYMJ-LLVKDONJSA-N -1 3 366.352 3.086 20 0 FGADHM C[C@@H](OC(=O)C1=Cc2cc(F)ccc2OC1)c1cccc(-c2nn[n-]n2)c1 ZINC000824713999 608075277 /nfs/dbraw/zinc/07/52/77/608075277.db2.gz LVSLRKOUSPRYMJ-LLVKDONJSA-N -1 3 366.352 3.086 20 0 FGADHM CC[C@@H](C)n1ncc(NC(=O)c2ccc(-c3nnn[n-]3)cc2)c1C1CC1 ZINC000825082632 608102460 /nfs/dbraw/zinc/10/24/60/608102460.db2.gz UCVGBIAQDWFWPX-LLVKDONJSA-N -1 3 351.414 3.164 20 0 FGADHM CC[C@@H](C)n1ncc(NC(=O)c2ccc(-c3nn[n-]n3)cc2)c1C1CC1 ZINC000825082632 608102461 /nfs/dbraw/zinc/10/24/61/608102461.db2.gz UCVGBIAQDWFWPX-LLVKDONJSA-N -1 3 351.414 3.164 20 0 FGADHM COc1ccc(COC(=O)[C@H](C)c2c(F)cccc2F)cc1-c1nnn[n-]1 ZINC000826204211 608117534 /nfs/dbraw/zinc/11/75/34/608117534.db2.gz BZSNGRRZJVNRIR-SNVBAGLBSA-N -1 3 374.347 3.000 20 0 FGADHM COc1ccc(COC(=O)[C@H](C)c2c(F)cccc2F)cc1-c1nn[n-]n1 ZINC000826204211 608117535 /nfs/dbraw/zinc/11/75/35/608117535.db2.gz BZSNGRRZJVNRIR-SNVBAGLBSA-N -1 3 374.347 3.000 20 0 FGADHM CCCCNc1ccccc1C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000825291363 608123656 /nfs/dbraw/zinc/12/36/56/608123656.db2.gz PZNWZHPZJYSDIL-UHFFFAOYSA-N -1 3 368.416 3.148 20 0 FGADHM CCCCNc1ccccc1C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000825291363 608123657 /nfs/dbraw/zinc/12/36/57/608123657.db2.gz PZNWZHPZJYSDIL-UHFFFAOYSA-N -1 3 368.416 3.148 20 0 FGADHM COc1ccccc1OC[C@H](C)CNc1ccc(F)cc1-c1nnn[n-]1 ZINC000826220235 608124418 /nfs/dbraw/zinc/12/44/18/608124418.db2.gz GWJRRBSPKPIINZ-GFCCVEGCSA-N -1 3 357.389 3.141 20 0 FGADHM COc1ccccc1OC[C@H](C)CNc1ccc(F)cc1-c1nn[n-]n1 ZINC000826220235 608124419 /nfs/dbraw/zinc/12/44/19/608124419.db2.gz GWJRRBSPKPIINZ-GFCCVEGCSA-N -1 3 357.389 3.141 20 0 FGADHM O=C(OCC[C@@H]1CCCCO1)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000826462515 608143615 /nfs/dbraw/zinc/14/36/15/608143615.db2.gz AAPOOPKPRKFRNO-NSHDSACASA-N -1 3 370.331 3.002 20 0 FGADHM O=C(OCC[C@@H]1CCCCO1)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826462515 608143616 /nfs/dbraw/zinc/14/36/16/608143616.db2.gz AAPOOPKPRKFRNO-NSHDSACASA-N -1 3 370.331 3.002 20 0 FGADHM C[C@H]1CCC[C@H](CSCC(=O)NCc2cccc(-c3nnn[n-]3)c2)C1 ZINC000824927118 608155408 /nfs/dbraw/zinc/15/54/08/608155408.db2.gz MSCHEMWCYLWKPJ-ZFWWWQNUSA-N -1 3 359.499 3.042 20 0 FGADHM C[C@H]1CCC[C@H](CSCC(=O)NCc2cccc(-c3nn[n-]n3)c2)C1 ZINC000824927118 608155409 /nfs/dbraw/zinc/15/54/09/608155409.db2.gz MSCHEMWCYLWKPJ-ZFWWWQNUSA-N -1 3 359.499 3.042 20 0 FGADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)[C@@H](C)C1CCCC1 ZINC000825787972 608177324 /nfs/dbraw/zinc/17/73/24/608177324.db2.gz MJWAJQSHIXHOGS-NSHDSACASA-N -1 3 353.430 3.001 20 0 FGADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)[C@@H](C)C1CCCC1 ZINC000825787972 608177326 /nfs/dbraw/zinc/17/73/26/608177326.db2.gz MJWAJQSHIXHOGS-NSHDSACASA-N -1 3 353.430 3.001 20 0 FGADHM C[C@@H](OC(=O)c1ccccc1OC(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000824723625 608181917 /nfs/dbraw/zinc/18/19/17/608181917.db2.gz SUJAFFFIYKZXIC-SNVBAGLBSA-N -1 3 360.320 3.386 20 0 FGADHM C[C@@H](OC(=O)c1ccccc1OC(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000824723625 608181919 /nfs/dbraw/zinc/18/19/19/608181919.db2.gz SUJAFFFIYKZXIC-SNVBAGLBSA-N -1 3 360.320 3.386 20 0 FGADHM C[C@]1(COC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)CCOC1 ZINC000824829564 608199436 /nfs/dbraw/zinc/19/94/36/608199436.db2.gz FZOCWKRZLYDDMT-FQEVSTJZSA-N -1 3 364.405 3.117 20 0 FGADHM C[C@]1(COC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)CCOC1 ZINC000824829564 608199438 /nfs/dbraw/zinc/19/94/38/608199438.db2.gz FZOCWKRZLYDDMT-FQEVSTJZSA-N -1 3 364.405 3.117 20 0 FGADHM CNC(=O)c1ccc(CSc2cccc(Cl)c2-c2nnn[n-]2)cc1 ZINC000826068654 608207509 /nfs/dbraw/zinc/20/75/09/608207509.db2.gz VDRJAICXESXQCL-UHFFFAOYSA-N -1 3 359.842 3.172 20 0 FGADHM CNC(=O)c1ccc(CSc2cccc(Cl)c2-c2nn[n-]n2)cc1 ZINC000826068654 608207510 /nfs/dbraw/zinc/20/75/10/608207510.db2.gz VDRJAICXESXQCL-UHFFFAOYSA-N -1 3 359.842 3.172 20 0 FGADHM Clc1cccc(SCc2nc(-c3ccco3)no2)c1-c1nnn[n-]1 ZINC000826353337 608207845 /nfs/dbraw/zinc/20/78/45/608207845.db2.gz LFXQVCANWKTRRV-UHFFFAOYSA-N -1 3 360.786 3.455 20 0 FGADHM Clc1cccc(SCc2nc(-c3ccco3)no2)c1-c1nn[n-]n1 ZINC000826353337 608207847 /nfs/dbraw/zinc/20/78/47/608207847.db2.gz LFXQVCANWKTRRV-UHFFFAOYSA-N -1 3 360.786 3.455 20 0 FGADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C=Cc1ccc2[nH]ccc2c1 ZINC000825958215 608228906 /nfs/dbraw/zinc/22/89/06/608228906.db2.gz OABOSHMKRDMEJF-WEVVVXLNSA-N -1 3 358.405 3.020 20 0 FGADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C=Cc1ccc2[nH]ccc2c1 ZINC000825958215 608228908 /nfs/dbraw/zinc/22/89/08/608228908.db2.gz OABOSHMKRDMEJF-WEVVVXLNSA-N -1 3 358.405 3.020 20 0 FGADHM c1cc2c(s1)CCO[C@@H]2CNc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000826518256 608230502 /nfs/dbraw/zinc/23/05/02/608230502.db2.gz HNSGVZSDPBJHSK-OAHLLOKOSA-N -1 3 364.434 3.202 20 0 FGADHM c1cc2c(s1)CCO[C@@H]2CNc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000826518256 608230503 /nfs/dbraw/zinc/23/05/03/608230503.db2.gz HNSGVZSDPBJHSK-OAHLLOKOSA-N -1 3 364.434 3.202 20 0 FGADHM CN(CCOCc1ccccc1)c1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000825941373 608232165 /nfs/dbraw/zinc/23/21/65/608232165.db2.gz GXJPYEYWJXCHSZ-UHFFFAOYSA-N -1 3 360.421 3.068 20 0 FGADHM CN(CCOCc1ccccc1)c1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000825941373 608232167 /nfs/dbraw/zinc/23/21/67/608232167.db2.gz GXJPYEYWJXCHSZ-UHFFFAOYSA-N -1 3 360.421 3.068 20 0 FGADHM Fc1cccc([C@H](NCc2cccc(-c3nn[n-]n3)c2)c2ccccn2)c1 ZINC000826376807 608243480 /nfs/dbraw/zinc/24/34/80/608243480.db2.gz SYIZERACXGSRQF-IBGZPJMESA-N -1 3 360.396 3.280 20 0 FGADHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)[C@H](c1ccccc1)C1CC1 ZINC000826464537 608254778 /nfs/dbraw/zinc/25/47/78/608254778.db2.gz AVFWAWKHFRYIGX-QGZVFWFLSA-N -1 3 352.369 3.243 20 0 FGADHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)[C@H](c1ccccc1)C1CC1 ZINC000826464537 608254779 /nfs/dbraw/zinc/25/47/79/608254779.db2.gz AVFWAWKHFRYIGX-QGZVFWFLSA-N -1 3 352.369 3.243 20 0 FGADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1F)[C@@H](c1ccccc1)C1CC1 ZINC000826464734 608254784 /nfs/dbraw/zinc/25/47/84/608254784.db2.gz KCHIEFSHUFOOFL-KRWDZBQOSA-N -1 3 352.369 3.243 20 0 FGADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1F)[C@@H](c1ccccc1)C1CC1 ZINC000826464734 608254785 /nfs/dbraw/zinc/25/47/85/608254785.db2.gz KCHIEFSHUFOOFL-KRWDZBQOSA-N -1 3 352.369 3.243 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)c(NCC2(c3ccccc3C)CCOCC2)n1 ZINC000826275698 608277129 /nfs/dbraw/zinc/27/71/29/608277129.db2.gz IBEGSRAVUBZQCX-UHFFFAOYSA-N -1 3 364.453 3.039 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)c(NCC2(c3ccccc3C)CCOCC2)n1 ZINC000826275698 608277130 /nfs/dbraw/zinc/27/71/30/608277130.db2.gz IBEGSRAVUBZQCX-UHFFFAOYSA-N -1 3 364.453 3.039 20 0 FGADHM Cc1ccc(-c2nc(CCNc3nc(C)ccc3-c3nnn[n-]3)co2)cc1 ZINC000826273390 608281887 /nfs/dbraw/zinc/28/18/87/608281887.db2.gz BQFMVUHVDDIXGQ-UHFFFAOYSA-N -1 3 361.409 3.188 20 0 FGADHM Cc1ccc(-c2nc(CCNc3nc(C)ccc3-c3nn[n-]n3)co2)cc1 ZINC000826273390 608281889 /nfs/dbraw/zinc/28/18/89/608281889.db2.gz BQFMVUHVDDIXGQ-UHFFFAOYSA-N -1 3 361.409 3.188 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)c(NC[C@@H](O)c2ccc(Cl)cc2Cl)n1 ZINC000826275626 608286951 /nfs/dbraw/zinc/28/69/51/608286951.db2.gz FQLKXINNNUMWQI-CYBMUJFWSA-N -1 3 365.224 3.022 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)c(NC[C@@H](O)c2ccc(Cl)cc2Cl)n1 ZINC000826275626 608286952 /nfs/dbraw/zinc/28/69/52/608286952.db2.gz FQLKXINNNUMWQI-CYBMUJFWSA-N -1 3 365.224 3.022 20 0 FGADHM c1ccc2nc(N3CCC[C@@H](C[C@H]4CCOC4)C3)c(-c3nnn[n-]3)cc2c1 ZINC000826523870 608297104 /nfs/dbraw/zinc/29/71/04/608297104.db2.gz AMDKVXJCGDMAAR-LSDHHAIUSA-N -1 3 364.453 3.058 20 0 FGADHM c1ccc2nc(N3CCC[C@@H](C[C@H]4CCOC4)C3)c(-c3nn[n-]n3)cc2c1 ZINC000826523870 608297106 /nfs/dbraw/zinc/29/71/06/608297106.db2.gz AMDKVXJCGDMAAR-LSDHHAIUSA-N -1 3 364.453 3.058 20 0 FGADHM c1ccc2c(c1)ncc(-c1nnn[n-]1)c2N1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000826523178 608298629 /nfs/dbraw/zinc/29/86/29/608298629.db2.gz DENAYMYZHVLHSQ-GJZGRUSLSA-N -1 3 364.453 3.058 20 0 FGADHM c1ccc2c(c1)ncc(-c1nn[n-]n1)c2N1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000826523178 608298630 /nfs/dbraw/zinc/29/86/30/608298630.db2.gz DENAYMYZHVLHSQ-GJZGRUSLSA-N -1 3 364.453 3.058 20 0 FGADHM C[C@H](C[C@@H](O)c1cccs1)Nc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC000824393279 608299732 /nfs/dbraw/zinc/29/97/32/608299732.db2.gz RHHCGNCEKHFYEY-IAQYHMDHSA-N -1 3 370.482 3.126 20 0 FGADHM C[C@H](C[C@@H](O)c1cccs1)Nc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC000824393279 608299734 /nfs/dbraw/zinc/29/97/34/608299734.db2.gz RHHCGNCEKHFYEY-IAQYHMDHSA-N -1 3 370.482 3.126 20 0 FGADHM Cc1c(NC(=O)c2cnc(Oc3ccccc3)cn2)cccc1-c1nnn[n-]1 ZINC000826242333 608301468 /nfs/dbraw/zinc/30/14/68/608301468.db2.gz KQJKVZOTDOATLK-UHFFFAOYSA-N -1 3 373.376 3.010 20 0 FGADHM Cc1c(NC(=O)c2cnc(Oc3ccccc3)cn2)cccc1-c1nn[n-]n1 ZINC000826242333 608301471 /nfs/dbraw/zinc/30/14/71/608301471.db2.gz KQJKVZOTDOATLK-UHFFFAOYSA-N -1 3 373.376 3.010 20 0 FGADHM COc1ccc(CNC(=O)C(C)(C)C2CCCCC2)cc1-c1nnn[n-]1 ZINC000826196125 608313523 /nfs/dbraw/zinc/31/35/23/608313523.db2.gz QQEPTKICCOQKFT-UHFFFAOYSA-N -1 3 357.458 3.098 20 0 FGADHM COc1ccc(CNC(=O)C(C)(C)C2CCCCC2)cc1-c1nn[n-]n1 ZINC000826196125 608313525 /nfs/dbraw/zinc/31/35/25/608313525.db2.gz QQEPTKICCOQKFT-UHFFFAOYSA-N -1 3 357.458 3.098 20 0 FGADHM O=C(OCc1ccccc1-c1nnn[n-]1)c1cccc([C@H]2CCCOC2)c1 ZINC000826467158 608318725 /nfs/dbraw/zinc/31/87/25/608318725.db2.gz JLQAAGABHGRKMD-INIZCTEOSA-N -1 3 364.405 3.118 20 0 FGADHM O=C(OCc1ccccc1-c1nn[n-]n1)c1cccc([C@H]2CCCOC2)c1 ZINC000826467158 608318728 /nfs/dbraw/zinc/31/87/28/608318728.db2.gz JLQAAGABHGRKMD-INIZCTEOSA-N -1 3 364.405 3.118 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1CNc1ccc(F)cc1OCC1CC1 ZINC000826170943 608321087 /nfs/dbraw/zinc/32/10/87/608321087.db2.gz WEVZORXRPOEUGB-UHFFFAOYSA-N -1 3 369.400 3.415 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1CNc1ccc(F)cc1OCC1CC1 ZINC000826170943 608321089 /nfs/dbraw/zinc/32/10/89/608321089.db2.gz WEVZORXRPOEUGB-UHFFFAOYSA-N -1 3 369.400 3.415 20 0 FGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccnc(Cl)c1F ZINC000824293424 608340113 /nfs/dbraw/zinc/34/01/13/608340113.db2.gz LIWGKSCFCKVDFS-UHFFFAOYSA-N -1 3 374.807 3.105 20 0 FGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccnc(Cl)c1F ZINC000824293424 608340115 /nfs/dbraw/zinc/34/01/15/608340115.db2.gz LIWGKSCFCKVDFS-UHFFFAOYSA-N -1 3 374.807 3.105 20 0 FGADHM CCN(C(=O)CC[C@@H]1CC[C@@H](C)O1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825371955 608343950 /nfs/dbraw/zinc/34/39/50/608343950.db2.gz OLNOBOIBKJPGIY-YPMHNXCESA-N -1 3 363.849 3.221 20 0 FGADHM CCN(C(=O)CC[C@@H]1CC[C@@H](C)O1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825371955 608343952 /nfs/dbraw/zinc/34/39/52/608343952.db2.gz OLNOBOIBKJPGIY-YPMHNXCESA-N -1 3 363.849 3.221 20 0 FGADHM C[C@@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)c1c[nH]c2ncccc12 ZINC000824756081 608401090 /nfs/dbraw/zinc/40/10/90/608401090.db2.gz NQNJOPUAPOIIJA-SNVBAGLBSA-N -1 3 350.407 3.107 20 0 FGADHM C[C@@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)c1c[nH]c2ncccc12 ZINC000824756081 608401092 /nfs/dbraw/zinc/40/10/92/608401092.db2.gz NQNJOPUAPOIIJA-SNVBAGLBSA-N -1 3 350.407 3.107 20 0 FGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1)c1ccc(Br)s1 ZINC000826466042 608423842 /nfs/dbraw/zinc/42/38/42/608423842.db2.gz NHQLXVBEGXZPRP-UHFFFAOYSA-N -1 3 365.212 3.048 20 0 FGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1)c1ccc(Br)s1 ZINC000826466042 608423841 /nfs/dbraw/zinc/42/38/41/608423841.db2.gz NHQLXVBEGXZPRP-UHFFFAOYSA-N -1 3 365.212 3.048 20 0 FGADHM Cc1ccc(OCCC(=O)OCc2cccc(-c3nnn[n-]3)c2F)c(C)c1 ZINC000826292202 608441038 /nfs/dbraw/zinc/44/10/38/608441038.db2.gz LOAFPVGIXHZYNM-UHFFFAOYSA-N -1 3 370.384 3.135 20 0 FGADHM Cc1ccc(OCCC(=O)OCc2cccc(-c3nn[n-]n3)c2F)c(C)c1 ZINC000826292202 608441039 /nfs/dbraw/zinc/44/10/39/608441039.db2.gz LOAFPVGIXHZYNM-UHFFFAOYSA-N -1 3 370.384 3.135 20 0 FGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)[C@H]1CCCc2ccccc21 ZINC000826466284 608441639 /nfs/dbraw/zinc/44/16/39/608441639.db2.gz WLLNDHFCHFJNRO-HNNXBMFYSA-N -1 3 352.369 3.169 20 0 FGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)[C@H]1CCCc2ccccc21 ZINC000826466284 608441641 /nfs/dbraw/zinc/44/16/41/608441641.db2.gz WLLNDHFCHFJNRO-HNNXBMFYSA-N -1 3 352.369 3.169 20 0 FGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000826466321 608450362 /nfs/dbraw/zinc/45/03/62/608450362.db2.gz XNCKOYWMTYMWLL-GXTWGEPZSA-N -1 3 374.322 3.131 20 0 FGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000826466321 608450364 /nfs/dbraw/zinc/45/03/64/608450364.db2.gz XNCKOYWMTYMWLL-GXTWGEPZSA-N -1 3 374.322 3.131 20 0 FGADHM CC[C@@H](Oc1ccccc1C)C(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000825159220 608451277 /nfs/dbraw/zinc/45/12/77/608451277.db2.gz LHRGJNFTQHMJSY-OAHLLOKOSA-N -1 3 370.384 3.215 20 0 FGADHM CC[C@@H](Oc1ccccc1C)C(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000825159220 608451279 /nfs/dbraw/zinc/45/12/79/608451279.db2.gz LHRGJNFTQHMJSY-OAHLLOKOSA-N -1 3 370.384 3.215 20 0 FGADHM C[C@@H](NCc1noc(C2CCCCC2)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824634291 608467004 /nfs/dbraw/zinc/46/70/04/608467004.db2.gz VGGJECCDAGKXAS-GFCCVEGCSA-N -1 3 353.430 3.148 20 0 FGADHM C[C@@H](NCc1noc(C2CCCCC2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824634291 608467005 /nfs/dbraw/zinc/46/70/05/608467005.db2.gz VGGJECCDAGKXAS-GFCCVEGCSA-N -1 3 353.430 3.148 20 0 FGADHM CCc1ccccc1C(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000825722978 608481228 /nfs/dbraw/zinc/48/12/28/608481228.db2.gz PJYVLGIDPVRSQU-UHFFFAOYSA-N -1 3 359.433 3.359 20 0 FGADHM CCc1ccccc1C(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825722978 608481230 /nfs/dbraw/zinc/48/12/30/608481230.db2.gz PJYVLGIDPVRSQU-UHFFFAOYSA-N -1 3 359.433 3.359 20 0 FGADHM CCc1ccsc1C(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000825734251 608481702 /nfs/dbraw/zinc/48/17/02/608481702.db2.gz KJTKPEYCALZYHD-UHFFFAOYSA-N -1 3 365.462 3.420 20 0 FGADHM CCc1ccsc1C(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825734251 608481703 /nfs/dbraw/zinc/48/17/03/608481703.db2.gz KJTKPEYCALZYHD-UHFFFAOYSA-N -1 3 365.462 3.420 20 0 FGADHM O=C(CCc1cccs1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826409392 608485389 /nfs/dbraw/zinc/48/53/89/608485389.db2.gz WXHJOFZLLFFZHG-UHFFFAOYSA-N -1 3 365.462 3.177 20 0 FGADHM O=C(CCc1cccs1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826409392 608485391 /nfs/dbraw/zinc/48/53/91/608485391.db2.gz WXHJOFZLLFFZHG-UHFFFAOYSA-N -1 3 365.462 3.177 20 0 FGADHM CCCn1c(CN(C)Cc2ccc(-c3nnn[n-]3)cc2)nc2ccccc21 ZINC000825357028 608523545 /nfs/dbraw/zinc/52/35/45/608523545.db2.gz VPKONXIRZIZSDN-UHFFFAOYSA-N -1 3 361.453 3.258 20 0 FGADHM CCCn1c(CN(C)Cc2ccc(-c3nn[n-]n3)cc2)nc2ccccc21 ZINC000825357028 608523547 /nfs/dbraw/zinc/52/35/47/608523547.db2.gz VPKONXIRZIZSDN-UHFFFAOYSA-N -1 3 361.453 3.258 20 0 FGADHM c1c(CNC2(c3cccc(-c4nn[n-]n4)c3)CC2)onc1-c1ccccc1 ZINC000826519431 608531685 /nfs/dbraw/zinc/53/16/85/608531685.db2.gz YHZQZJGPNZNDPF-UHFFFAOYSA-N -1 3 358.405 3.301 20 0 FGADHM O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826428611 608575919 /nfs/dbraw/zinc/57/59/19/608575919.db2.gz HBPHFVLFVHQFTM-UHFFFAOYSA-N -1 3 357.845 3.219 20 0 FGADHM O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826428611 608575921 /nfs/dbraw/zinc/57/59/21/608575921.db2.gz HBPHFVLFVHQFTM-UHFFFAOYSA-N -1 3 357.845 3.219 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H](C)CCCc1ccccc1 ZINC000826185956 608584432 /nfs/dbraw/zinc/58/44/32/608584432.db2.gz YLXCOFUQOFLBGC-AWEZNQCLSA-N -1 3 365.437 3.473 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H](C)CCCc1ccccc1 ZINC000826185956 608584434 /nfs/dbraw/zinc/58/44/34/608584434.db2.gz YLXCOFUQOFLBGC-AWEZNQCLSA-N -1 3 365.437 3.473 20 0 FGADHM Cn1c2ccccc2nc1[C@@H]1CCCN1Cc1ccc(-c2nnn[n-]2)s1 ZINC000826355161 608612671 /nfs/dbraw/zinc/61/26/71/608612671.db2.gz MXOZPRGAHPYCGL-HNNXBMFYSA-N -1 3 365.466 3.152 20 0 FGADHM Cn1c2ccccc2nc1[C@@H]1CCCN1Cc1ccc(-c2nn[n-]n2)s1 ZINC000826355161 608612673 /nfs/dbraw/zinc/61/26/73/608612673.db2.gz MXOZPRGAHPYCGL-HNNXBMFYSA-N -1 3 365.466 3.152 20 0 FGADHM Cc1ccc(C)c([C@@H]2CN(Cc3ccc(-c4nnn[n-]4)o3)[C@H](C)CO2)c1 ZINC000826285391 608729028 /nfs/dbraw/zinc/72/90/28/608729028.db2.gz YNZZXCGIGXKQMA-KDOFPFPSSA-N -1 3 353.426 3.039 20 0 FGADHM Cc1ccc(C)c([C@@H]2CN(Cc3ccc(-c4nn[n-]n4)o3)[C@H](C)CO2)c1 ZINC000826285391 608729030 /nfs/dbraw/zinc/72/90/30/608729030.db2.gz YNZZXCGIGXKQMA-KDOFPFPSSA-N -1 3 353.426 3.039 20 0 FGADHM COC(=O)[C@@H](N[C@@H](C)c1cc(C)sc1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826111329 608753528 /nfs/dbraw/zinc/75/35/28/608753528.db2.gz CXFXXHHWIIIFRH-ZBEGNZNMSA-N -1 3 371.466 3.110 20 0 FGADHM COC(=O)[C@@H](N[C@@H](C)c1cc(C)sc1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826111329 608753531 /nfs/dbraw/zinc/75/35/31/608753531.db2.gz CXFXXHHWIIIFRH-ZBEGNZNMSA-N -1 3 371.466 3.110 20 0 FGADHM O=C(O[C@H](c1nccs1)c1ccccc1)c1cc(-c2nnn[n-]2)cs1 ZINC000826461917 608822857 /nfs/dbraw/zinc/82/28/57/608822857.db2.gz JXJLJLBQKAALGI-ZDUSSCGKSA-N -1 3 369.431 3.331 20 0 FGADHM O=C(O[C@H](c1nccs1)c1ccccc1)c1cc(-c2nn[n-]n2)cs1 ZINC000826461917 608822860 /nfs/dbraw/zinc/82/28/60/608822860.db2.gz JXJLJLBQKAALGI-ZDUSSCGKSA-N -1 3 369.431 3.331 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1[C@@H](C)Cc2cc(F)ccc2[C@@H]1C ZINC000826244410 608826350 /nfs/dbraw/zinc/82/63/50/608826350.db2.gz RBHZWZRNBUNMON-STQMWFEESA-N -1 3 365.412 3.462 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1[C@@H](C)Cc2cc(F)ccc2[C@@H]1C ZINC000826244410 608826351 /nfs/dbraw/zinc/82/63/51/608826351.db2.gz RBHZWZRNBUNMON-STQMWFEESA-N -1 3 365.412 3.462 20 0 FGADHM C[C@@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000825014468 608828459 /nfs/dbraw/zinc/82/84/59/608828459.db2.gz VXRXVPJTQZTPNV-ZJUUUORDSA-N -1 3 357.414 3.215 20 0 FGADHM C[C@@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000825014468 608828461 /nfs/dbraw/zinc/82/84/61/608828461.db2.gz VXRXVPJTQZTPNV-ZJUUUORDSA-N -1 3 357.414 3.215 20 0 FGADHM CC(C)c1ncc(CN2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)s1 ZINC000824364802 608848907 /nfs/dbraw/zinc/84/89/07/608848907.db2.gz USZRSHNUAVYGEP-INIZCTEOSA-N -1 3 370.482 3.020 20 0 FGADHM CC(C)c1ncc(CN2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)s1 ZINC000824364802 608848909 /nfs/dbraw/zinc/84/89/09/608848909.db2.gz USZRSHNUAVYGEP-INIZCTEOSA-N -1 3 370.482 3.020 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCCc2ccc(F)c(F)c21 ZINC000826245232 608851234 /nfs/dbraw/zinc/85/12/34/608851234.db2.gz RCDKJXXKNGKSHT-UHFFFAOYSA-N -1 3 355.348 3.046 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCCc2ccc(F)c(F)c21 ZINC000826245232 608851238 /nfs/dbraw/zinc/85/12/38/608851238.db2.gz RCDKJXXKNGKSHT-UHFFFAOYSA-N -1 3 355.348 3.046 20 0 FGADHM C[C@@](NC(=O)c1cccc(-c2nnn[n-]2)c1)(c1ccccc1)C(F)(F)F ZINC000824522329 608873312 /nfs/dbraw/zinc/87/33/12/608873312.db2.gz QWLKUDYGMGYTSQ-MRXNPFEDSA-N -1 3 361.327 3.074 20 0 FGADHM C[C@@](NC(=O)c1cccc(-c2nn[n-]n2)c1)(c1ccccc1)C(F)(F)F ZINC000824522329 608873315 /nfs/dbraw/zinc/87/33/15/608873315.db2.gz QWLKUDYGMGYTSQ-MRXNPFEDSA-N -1 3 361.327 3.074 20 0 FGADHM Cc1nc2c(s1)[C@H](NC(=O)Nc1cc(-c3nnn[n-]3)ccc1C)CCC2 ZINC000826327948 609157490 /nfs/dbraw/zinc/15/74/90/609157490.db2.gz AMOPWGKINRZYHT-CYBMUJFWSA-N -1 3 369.454 3.139 20 0 FGADHM Cc1nc2c(s1)[C@H](NC(=O)Nc1cc(-c3nn[n-]n3)ccc1C)CCC2 ZINC000826327948 609157492 /nfs/dbraw/zinc/15/74/92/609157492.db2.gz AMOPWGKINRZYHT-CYBMUJFWSA-N -1 3 369.454 3.139 20 0 FGADHM C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000824764546 609220807 /nfs/dbraw/zinc/22/08/07/609220807.db2.gz XEAVTPXFWLOHNB-WDEREUQCSA-N -1 3 358.833 3.112 20 0 FGADHM C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000824764546 609220809 /nfs/dbraw/zinc/22/08/09/609220809.db2.gz XEAVTPXFWLOHNB-WDEREUQCSA-N -1 3 358.833 3.112 20 0 FGADHM C[C@@H](Nc1ccc(O[C@@H]2CCOC2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824657577 609236975 /nfs/dbraw/zinc/23/69/75/609236975.db2.gz RJVJNCOBOKBLPJ-FZKQIMNGSA-N -1 3 351.410 3.208 20 0 FGADHM C[C@@H](Nc1ccc(O[C@@H]2CCOC2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824657577 609236976 /nfs/dbraw/zinc/23/69/76/609236976.db2.gz RJVJNCOBOKBLPJ-FZKQIMNGSA-N -1 3 351.410 3.208 20 0 FGADHM CC1(C)CC(NC(=O)c2ncc(-c3nnn[n-]3)cc2Cl)CC(C)(C)C1 ZINC000824790281 609263924 /nfs/dbraw/zinc/26/39/24/609263924.db2.gz LZXQTBZFIYOBMJ-UHFFFAOYSA-N -1 3 362.865 3.250 20 0 FGADHM CC1(C)CC(NC(=O)c2ncc(-c3nn[n-]n3)cc2Cl)CC(C)(C)C1 ZINC000824790281 609263926 /nfs/dbraw/zinc/26/39/26/609263926.db2.gz LZXQTBZFIYOBMJ-UHFFFAOYSA-N -1 3 362.865 3.250 20 0 FGADHM COc1cccc2sc(NCc3ccc(-c4nnn[n-]4)cc3F)nc21 ZINC000826217859 609264114 /nfs/dbraw/zinc/26/41/14/609264114.db2.gz FRRDDKPHICZWOM-UHFFFAOYSA-N -1 3 356.386 3.236 20 0 FGADHM COc1cccc2sc(NCc3ccc(-c4nn[n-]n4)cc3F)nc21 ZINC000826217859 609264115 /nfs/dbraw/zinc/26/41/15/609264115.db2.gz FRRDDKPHICZWOM-UHFFFAOYSA-N -1 3 356.386 3.236 20 0 FGADHM c1cc(-c2nnn[n-]2)sc1CNc1nnc(CCCc2ccccc2)o1 ZINC000826521764 609266427 /nfs/dbraw/zinc/26/64/27/609266427.db2.gz YIQYPIOKYQCVAK-UHFFFAOYSA-N -1 3 367.438 3.099 20 0 FGADHM Cc1c(C(=O)Nc2sccc2-c2nnn[n-]2)cnn1C1CCCCC1 ZINC000826234981 609269444 /nfs/dbraw/zinc/26/94/44/609269444.db2.gz XSVOEHISNWOMDM-UHFFFAOYSA-N -1 3 357.443 3.191 20 0 FGADHM Cc1c(C(=O)Nc2sccc2-c2nn[n-]n2)cnn1C1CCCCC1 ZINC000826234981 609269446 /nfs/dbraw/zinc/26/94/46/609269446.db2.gz XSVOEHISNWOMDM-UHFFFAOYSA-N -1 3 357.443 3.191 20 0 FGADHM C[C@@H](Nc1ccc(N2CCO[C@@H](C)C2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824993366 609279851 /nfs/dbraw/zinc/27/98/51/609279851.db2.gz QERRMMXDZZZEAQ-LSDHHAIUSA-N -1 3 364.453 3.265 20 0 FGADHM C[C@@H](Nc1ccc(N2CCO[C@@H](C)C2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824993366 609279852 /nfs/dbraw/zinc/27/98/52/609279852.db2.gz QERRMMXDZZZEAQ-LSDHHAIUSA-N -1 3 364.453 3.265 20 0 FGADHM C[C@H](OC(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1nc(C2CC2)cs1 ZINC000824712874 609283223 /nfs/dbraw/zinc/28/32/23/609283223.db2.gz DTJRBFTUGDSKJJ-JTQLQIEISA-N -1 3 355.423 3.048 20 0 FGADHM C[C@H](OC(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1nc(C2CC2)cs1 ZINC000824712874 609283225 /nfs/dbraw/zinc/28/32/25/609283225.db2.gz DTJRBFTUGDSKJJ-JTQLQIEISA-N -1 3 355.423 3.048 20 0 FGADHM CCC(CC)c1cc(CNC(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)on1 ZINC000825115333 609291439 /nfs/dbraw/zinc/29/14/39/609291439.db2.gz WPSAUTFPYNVUFN-UHFFFAOYSA-N -1 3 374.832 3.342 20 0 FGADHM CCC(CC)c1cc(CNC(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)on1 ZINC000825115333 609291442 /nfs/dbraw/zinc/29/14/42/609291442.db2.gz WPSAUTFPYNVUFN-UHFFFAOYSA-N -1 3 374.832 3.342 20 0 FGADHM c1cc(CSc2nc3c(cc2-c2nnn[n-]2)CCCC3)cc2c1COC2 ZINC000826518462 609308510 /nfs/dbraw/zinc/30/85/10/609308510.db2.gz OMCOLAUCIPVBQF-UHFFFAOYSA-N -1 3 365.462 3.463 20 0 FGADHM c1cc(CSc2nc3c(cc2-c2nn[n-]n2)CCCC3)cc2c1COC2 ZINC000826518462 609308511 /nfs/dbraw/zinc/30/85/11/609308511.db2.gz OMCOLAUCIPVBQF-UHFFFAOYSA-N -1 3 365.462 3.463 20 0 FGADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2cc(C)n([C@H](C)CC)n2)s1 ZINC000825694674 609314502 /nfs/dbraw/zinc/31/45/02/609314502.db2.gz ZCLAIYKLZPEKLU-SECBINFHSA-N -1 3 359.459 3.219 20 0 FGADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2cc(C)n([C@H](C)CC)n2)s1 ZINC000825694674 609314504 /nfs/dbraw/zinc/31/45/04/609314504.db2.gz ZCLAIYKLZPEKLU-SECBINFHSA-N -1 3 359.459 3.219 20 0 FGADHM Cc1ccc(CNc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)s1 ZINC000826288576 609320081 /nfs/dbraw/zinc/32/00/81/609320081.db2.gz NTPBGLUVPIAARU-UHFFFAOYSA-N -1 3 355.402 3.174 20 0 FGADHM Cc1ccc(F)c(CNc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)c1 ZINC000826289395 609320181 /nfs/dbraw/zinc/32/01/81/609320181.db2.gz YDYLVONZMOZICK-UHFFFAOYSA-N -1 3 367.363 3.251 20 0 FGADHM CSC[C@H](C)NC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826227979 609321229 /nfs/dbraw/zinc/32/12/29/609321229.db2.gz AMFZQBWMQURYPE-LBPRGKRZSA-N -1 3 369.450 3.140 20 0 FGADHM CSC[C@H](C)NC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826227979 609321231 /nfs/dbraw/zinc/32/12/31/609321231.db2.gz AMFZQBWMQURYPE-LBPRGKRZSA-N -1 3 369.450 3.140 20 0 FGADHM C[C@H]1CN(C(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)C[C@H]1C ZINC000824977839 609325530 /nfs/dbraw/zinc/32/55/30/609325530.db2.gz SKDAITJLLCJCGG-OKILXGFUSA-N -1 3 363.421 3.387 20 0 FGADHM C[C@H]1CN(C(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)C[C@H]1C ZINC000824977839 609325532 /nfs/dbraw/zinc/32/55/32/609325532.db2.gz SKDAITJLLCJCGG-OKILXGFUSA-N -1 3 363.421 3.387 20 0 FGADHM CCCOc1ncccc1CN[C@H](C)c1ccc(-c2nnn[n-]2)cc1F ZINC000825341383 609329428 /nfs/dbraw/zinc/32/94/28/609329428.db2.gz BKUWGVNGKZIOHO-GFCCVEGCSA-N -1 3 356.405 3.040 20 0 FGADHM CCCOc1ncccc1CN[C@H](C)c1ccc(-c2nn[n-]n2)cc1F ZINC000825341383 609329430 /nfs/dbraw/zinc/32/94/30/609329430.db2.gz BKUWGVNGKZIOHO-GFCCVEGCSA-N -1 3 356.405 3.040 20 0 FGADHM COc1ccc2c(c1)OCC[C@H]2N[C@H](C)c1ccc(-c2nn[n-]n2)cc1F ZINC000826212934 609337565 /nfs/dbraw/zinc/33/75/65/609337565.db2.gz FZAXLPJIBOAVLK-PIGZYNQJSA-N -1 3 369.400 3.189 20 0 FGADHM Cc1c(NCc2ccc(-c3nnn[n-]3)cc2F)cnn1-c1ccccc1F ZINC000826242436 609343043 /nfs/dbraw/zinc/34/30/43/609343043.db2.gz OOBUHQITVWEISA-UHFFFAOYSA-N -1 3 367.363 3.251 20 0 FGADHM Cc1c(NCc2ccc(-c3nn[n-]n3)cc2F)cnn1-c1ccccc1F ZINC000826242436 609343044 /nfs/dbraw/zinc/34/30/44/609343044.db2.gz OOBUHQITVWEISA-UHFFFAOYSA-N -1 3 367.363 3.251 20 0 FGADHM C[C@@H](Nc1ccc(N2CCCC2)nc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824656910 609347302 /nfs/dbraw/zinc/34/73/02/609347302.db2.gz NYIZGQARNWYGBV-GFCCVEGCSA-N -1 3 353.405 3.174 20 0 FGADHM C[C@@H](Nc1ccc(N2CCCC2)nc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824656910 609347304 /nfs/dbraw/zinc/34/73/04/609347304.db2.gz NYIZGQARNWYGBV-GFCCVEGCSA-N -1 3 353.405 3.174 20 0 FGADHM COCC[C@@H](N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1F)c1ccc(C)o1 ZINC000826154306 609349620 /nfs/dbraw/zinc/34/96/20/609349620.db2.gz MKGXVSYNMJGKFX-BLLLJJGKSA-N -1 3 359.405 3.336 20 0 FGADHM COCC[C@@H](N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1F)c1ccc(C)o1 ZINC000826154306 609349622 /nfs/dbraw/zinc/34/96/22/609349622.db2.gz MKGXVSYNMJGKFX-BLLLJJGKSA-N -1 3 359.405 3.336 20 0 FGADHM CCCNC(=O)c1cccc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000825332534 609349914 /nfs/dbraw/zinc/34/99/14/609349914.db2.gz HNXCULJUFAKBNM-GFCCVEGCSA-N -1 3 368.416 3.319 20 0 FGADHM CCCNC(=O)c1cccc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000825332534 609349915 /nfs/dbraw/zinc/34/99/15/609349915.db2.gz HNXCULJUFAKBNM-GFCCVEGCSA-N -1 3 368.416 3.319 20 0 FGADHM CC(C)S[C@@H]1CCCC[C@H]1OC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000824337758 609364925 /nfs/dbraw/zinc/36/49/25/609364925.db2.gz FYJMATXSMYLANN-HZPDHXFCSA-N -1 3 360.483 3.405 20 0 FGADHM CC(C)S[C@@H]1CCCC[C@H]1OC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000824337758 609364926 /nfs/dbraw/zinc/36/49/26/609364926.db2.gz FYJMATXSMYLANN-HZPDHXFCSA-N -1 3 360.483 3.405 20 0 FGADHM C[C@H]1CCN(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C[C@H]1F ZINC000824945832 609380305 /nfs/dbraw/zinc/38/03/05/609380305.db2.gz GLEJSAHHZKVZBW-QPUJVOFHSA-N -1 3 372.326 3.097 20 0 FGADHM C[C@H]1CCN(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C[C@H]1F ZINC000824945832 609380308 /nfs/dbraw/zinc/38/03/08/609380308.db2.gz GLEJSAHHZKVZBW-QPUJVOFHSA-N -1 3 372.326 3.097 20 0 FGADHM CC(C)[C@H](CSc1ccccc1)OC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000824190999 609387094 /nfs/dbraw/zinc/38/70/94/609387094.db2.gz CFVSOHRMUUKHJA-INIZCTEOSA-N -1 3 371.466 3.179 20 0 FGADHM CC(C)[C@H](CSc1ccccc1)OC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000824190999 609387096 /nfs/dbraw/zinc/38/70/96/609387096.db2.gz CFVSOHRMUUKHJA-INIZCTEOSA-N -1 3 371.466 3.179 20 0 FGADHM CC(C)[C@@H]1C[C@H](CC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)CCO1 ZINC000824213889 609393160 /nfs/dbraw/zinc/39/31/60/609393160.db2.gz DGLQJYXPMSDMDW-ABAIWWIYSA-N -1 3 363.849 3.300 20 0 FGADHM CC(C)[C@@H]1C[C@H](CC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)CCO1 ZINC000824213889 609393161 /nfs/dbraw/zinc/39/31/61/609393161.db2.gz DGLQJYXPMSDMDW-ABAIWWIYSA-N -1 3 363.849 3.300 20 0 FGADHM CC[C@@H]1C[C@H](CC(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)CCO1 ZINC000825184630 609405571 /nfs/dbraw/zinc/40/55/71/609405571.db2.gz XCSPPHWIZGCHBM-BXUZGUMPSA-N -1 3 364.833 3.159 20 0 FGADHM CC[C@@H]1C[C@H](CC(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)CCO1 ZINC000825184630 609405574 /nfs/dbraw/zinc/40/55/74/609405574.db2.gz XCSPPHWIZGCHBM-BXUZGUMPSA-N -1 3 364.833 3.159 20 0 FGADHM CCc1csc([C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3F)C2)n1 ZINC000825740342 609424813 /nfs/dbraw/zinc/42/48/13/609424813.db2.gz SEIUSSTVGMABLA-GFCCVEGCSA-N -1 3 358.446 3.409 20 0 FGADHM CCOc1cc(Cl)ccc1C(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000825616069 609427651 /nfs/dbraw/zinc/42/76/51/609427651.db2.gz VMBCKJFOCYYLJV-UHFFFAOYSA-N -1 3 371.828 3.191 20 0 FGADHM CCOc1cc(Cl)ccc1C(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000825616069 609427654 /nfs/dbraw/zinc/42/76/54/609427654.db2.gz VMBCKJFOCYYLJV-UHFFFAOYSA-N -1 3 371.828 3.191 20 0 FGADHM CCOC(=O)[C@H](C)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825484874 609450391 /nfs/dbraw/zinc/45/03/91/609450391.db2.gz BLKMDHCPGDCRSE-KBPBESRZSA-N -1 3 365.437 3.136 20 0 FGADHM CCOC(=O)[C@H](C)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825484874 609450392 /nfs/dbraw/zinc/45/03/92/609450392.db2.gz BLKMDHCPGDCRSE-KBPBESRZSA-N -1 3 365.437 3.136 20 0 FGADHM CC(C)COc1cccc(CNc2nc3ccccn3c2-c2nnn[n-]2)c1 ZINC000824270794 609463245 /nfs/dbraw/zinc/46/32/45/609463245.db2.gz HCKBIVVRJUCKMS-UHFFFAOYSA-N -1 3 363.425 3.161 20 0 FGADHM CC(C)COc1cccc(CNc2nc3ccccn3c2-c2nn[n-]n2)c1 ZINC000824270794 609463246 /nfs/dbraw/zinc/46/32/46/609463246.db2.gz HCKBIVVRJUCKMS-UHFFFAOYSA-N -1 3 363.425 3.161 20 0 FGADHM Cc1[nH]c2ccc(CNc3nc4ccccn4c3-c3nnn[n-]3)cc2c1C ZINC000826233303 609466230 /nfs/dbraw/zinc/46/62/30/609466230.db2.gz BTUCIKAJCCSYEH-UHFFFAOYSA-N -1 3 358.409 3.225 20 0 FGADHM Cc1[nH]c2ccc(CNc3nc4ccccn4c3-c3nn[n-]n3)cc2c1C ZINC000826233303 609466232 /nfs/dbraw/zinc/46/62/32/609466232.db2.gz BTUCIKAJCCSYEH-UHFFFAOYSA-N -1 3 358.409 3.225 20 0 FGADHM Clc1cccc(CNc2nc3ccccn3c2-c2nnn[n-]2)c1Cl ZINC000826353506 609467149 /nfs/dbraw/zinc/46/71/49/609467149.db2.gz RWLOVPSCZHSPLS-UHFFFAOYSA-N -1 3 360.208 3.433 20 0 FGADHM Clc1cccc(CNc2nc3ccccn3c2-c2nn[n-]n2)c1Cl ZINC000826353506 609467150 /nfs/dbraw/zinc/46/71/50/609467150.db2.gz RWLOVPSCZHSPLS-UHFFFAOYSA-N -1 3 360.208 3.433 20 0 FGADHM C[C@@H]1CCC[C@H]1C(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000824929175 609468639 /nfs/dbraw/zinc/46/86/39/609468639.db2.gz WWWQJOYUSCBUOT-IAQYHMDHSA-N -1 3 368.466 3.289 20 0 FGADHM C[C@@H]1CCC[C@H]1C(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000824929175 609468642 /nfs/dbraw/zinc/46/86/42/609468642.db2.gz WWWQJOYUSCBUOT-IAQYHMDHSA-N -1 3 368.466 3.289 20 0 FGADHM CC(=O)Nc1c(C)ccc(NCc2cccc(-c3nnn[n-]3)c2F)c1C ZINC000823994474 609475030 /nfs/dbraw/zinc/47/50/30/609475030.db2.gz IQLFDKWPRLXKBV-UHFFFAOYSA-N -1 3 354.389 3.193 20 0 FGADHM CC(=O)Nc1c(C)ccc(NCc2cccc(-c3nn[n-]n3)c2F)c1C ZINC000823994474 609475033 /nfs/dbraw/zinc/47/50/33/609475033.db2.gz IQLFDKWPRLXKBV-UHFFFAOYSA-N -1 3 354.389 3.193 20 0 FGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NCc1ccc2c(c1)ncn2C ZINC000824324548 609479078 /nfs/dbraw/zinc/47/90/78/609479078.db2.gz PCOFNWUGYNKCBJ-UHFFFAOYSA-N -1 3 363.425 3.153 20 0 FGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NCc1ccc2c(c1)ncn2C ZINC000824324548 609479080 /nfs/dbraw/zinc/47/90/80/609479080.db2.gz PCOFNWUGYNKCBJ-UHFFFAOYSA-N -1 3 363.425 3.153 20 0 FGADHM CCN(C(=O)C=Cc1cnccc1C)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825366551 609479950 /nfs/dbraw/zinc/47/99/50/609479950.db2.gz BUZHQAWQDHCYTK-BOLDSZDNSA-N -1 3 362.437 3.193 20 0 FGADHM CCN(C(=O)C=Cc1cnccc1C)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825366551 609479952 /nfs/dbraw/zinc/47/99/52/609479952.db2.gz BUZHQAWQDHCYTK-BOLDSZDNSA-N -1 3 362.437 3.193 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NCc1cccc2c1OC(C)(C)C2 ZINC000826186578 609481526 /nfs/dbraw/zinc/48/15/26/609481526.db2.gz AGKMYCOXFYKXHL-UHFFFAOYSA-N -1 3 351.410 3.201 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NCc1cccc2c1OC(C)(C)C2 ZINC000826186578 609481527 /nfs/dbraw/zinc/48/15/27/609481527.db2.gz AGKMYCOXFYKXHL-UHFFFAOYSA-N -1 3 351.410 3.201 20 0 FGADHM c1cc(COc2ccc(NCC3=CCCOC3)cc2)cc(-c2nnn[n-]2)c1 ZINC000823867814 609482543 /nfs/dbraw/zinc/48/25/43/609482543.db2.gz JBRFRFDAZQYHAE-UHFFFAOYSA-N -1 3 363.421 3.204 20 0 FGADHM c1cc(COc2ccc(NCC3=CCCOC3)cc2)cc(-c2nn[n-]n2)c1 ZINC000823867814 609482546 /nfs/dbraw/zinc/48/25/46/609482546.db2.gz JBRFRFDAZQYHAE-UHFFFAOYSA-N -1 3 363.421 3.204 20 0 FGADHM C[C@H]1CCC[C@H]1C(=O)N(Cc1ccco1)c1ccccc1-c1nnn[n-]1 ZINC000824927034 609482608 /nfs/dbraw/zinc/48/26/08/609482608.db2.gz LRTDLTBUHIAORF-DZGCQCFKSA-N -1 3 351.410 3.429 20 0 FGADHM C[C@H]1CCC[C@H]1C(=O)N(Cc1ccco1)c1ccccc1-c1nn[n-]n1 ZINC000824927034 609482609 /nfs/dbraw/zinc/48/26/09/609482609.db2.gz LRTDLTBUHIAORF-DZGCQCFKSA-N -1 3 351.410 3.429 20 0 FGADHM c1cc(COc2ccc(NC3CCOCC3)cc2)cc(-c2nnn[n-]2)c1 ZINC000826516227 609484939 /nfs/dbraw/zinc/48/49/39/609484939.db2.gz BMHGHEQEPHBKBV-UHFFFAOYSA-N -1 3 351.410 3.037 20 0 FGADHM c1cc(COc2ccc(NC3CCOCC3)cc2)cc(-c2nn[n-]n2)c1 ZINC000826516227 609484941 /nfs/dbraw/zinc/48/49/41/609484941.db2.gz BMHGHEQEPHBKBV-UHFFFAOYSA-N -1 3 351.410 3.037 20 0 FGADHM CCOc1c(OC)cc(CNc2cccc(-c3nnn[n-]3)c2C)cc1OC ZINC000825605627 609485407 /nfs/dbraw/zinc/48/54/07/609485407.db2.gz ZDDHWYCYALQQSV-UHFFFAOYSA-N -1 3 369.425 3.203 20 0 FGADHM CCOc1c(OC)cc(CNc2cccc(-c3nn[n-]n3)c2C)cc1OC ZINC000825605627 609485409 /nfs/dbraw/zinc/48/54/09/609485409.db2.gz ZDDHWYCYALQQSV-UHFFFAOYSA-N -1 3 369.425 3.203 20 0 FGADHM CC[C@H]1CCCC[C@H]1Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1 ZINC000825194359 609498768 /nfs/dbraw/zinc/49/87/68/609498768.db2.gz PVTABGUVLGTJHI-KBXCAEBGSA-N -1 3 370.501 3.209 20 0 FGADHM CC[C@H]1CCCC[C@H]1Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1 ZINC000825194359 609498770 /nfs/dbraw/zinc/49/87/70/609498770.db2.gz PVTABGUVLGTJHI-KBXCAEBGSA-N -1 3 370.501 3.209 20 0 FGADHM Cc1ccc2c(c1)[C@H](NC(=S)Nc1ccccc1-c1nnn[n-]1)[C@H](C)C2 ZINC000826294583 609509288 /nfs/dbraw/zinc/50/92/88/609509288.db2.gz WDVHBYJDWXPIMA-SJKOYZFVSA-N -1 3 364.478 3.395 20 0 FGADHM Cc1ccc2c(c1)[C@H](NC(=S)Nc1ccccc1-c1nn[n-]n1)[C@H](C)C2 ZINC000826294583 609509290 /nfs/dbraw/zinc/50/92/90/609509290.db2.gz WDVHBYJDWXPIMA-SJKOYZFVSA-N -1 3 364.478 3.395 20 0 FGADHM C[C@H]1CC[C@H](C(F)(F)F)CN1C(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000824910930 609509988 /nfs/dbraw/zinc/50/99/88/609509988.db2.gz ZICANCRAGFPQEY-UWVGGRQHSA-N -1 3 370.404 3.226 20 0 FGADHM C[C@H]1CC[C@H](C(F)(F)F)CN1C(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000824910930 609509989 /nfs/dbraw/zinc/50/99/89/609509989.db2.gz ZICANCRAGFPQEY-UWVGGRQHSA-N -1 3 370.404 3.226 20 0 FGADHM COc1cc(C)c([C@@H](C)Nc2nccc(C)c2-c2nnn[n-]2)cc1OC ZINC000826177946 609534619 /nfs/dbraw/zinc/53/46/19/609534619.db2.gz CGYDUMNXTZGYOO-GFCCVEGCSA-N -1 3 354.414 3.069 20 0 FGADHM COc1cc(C)c([C@@H](C)Nc2nccc(C)c2-c2nn[n-]n2)cc1OC ZINC000826177946 609534620 /nfs/dbraw/zinc/53/46/20/609534620.db2.gz CGYDUMNXTZGYOO-GFCCVEGCSA-N -1 3 354.414 3.069 20 0 FGADHM COc1ccc(Cl)cc1CNc1ncc(Cl)c(C)c1-c1nnn[n-]1 ZINC000826208322 609535776 /nfs/dbraw/zinc/53/57/76/609535776.db2.gz DWEPJPKJKFKAFO-UHFFFAOYSA-N -1 3 365.224 3.498 20 0 FGADHM COc1ccc(Cl)cc1CNc1ncc(Cl)c(C)c1-c1nn[n-]n1 ZINC000826208322 609535779 /nfs/dbraw/zinc/53/57/79/609535779.db2.gz DWEPJPKJKFKAFO-UHFFFAOYSA-N -1 3 365.224 3.498 20 0 FGADHM CC(C)Oc1c(F)cc(NC(=O)Cc2ccc(-c3nnn[n-]3)cc2)cc1F ZINC000824314881 609536711 /nfs/dbraw/zinc/53/67/11/609536711.db2.gz JBCJTIAJVXQWRU-UHFFFAOYSA-N -1 3 373.363 3.113 20 0 FGADHM CC(C)Oc1c(F)cc(NC(=O)Cc2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000824314881 609536715 /nfs/dbraw/zinc/53/67/15/609536715.db2.gz JBCJTIAJVXQWRU-UHFFFAOYSA-N -1 3 373.363 3.113 20 0 FGADHM CCOC(=O)c1ccc(CNc2ncc(Cl)c(C)c2-c2nnn[n-]2)cc1 ZINC000825560365 609540004 /nfs/dbraw/zinc/54/00/04/609540004.db2.gz QQXNCHQHNADBPM-UHFFFAOYSA-N -1 3 372.816 3.012 20 0 FGADHM CCOC(=O)c1ccc(CNc2ncc(Cl)c(C)c2-c2nn[n-]n2)cc1 ZINC000825560365 609540006 /nfs/dbraw/zinc/54/00/06/609540006.db2.gz QQXNCHQHNADBPM-UHFFFAOYSA-N -1 3 372.816 3.012 20 0 FGADHM C[C@H]1C[C@H](C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)C[C@@H](C)C1 ZINC000824877651 609557107 /nfs/dbraw/zinc/55/71/07/609557107.db2.gz ZSCZZHCKCDWYGV-IAZYJMLFSA-N -1 3 365.384 3.479 20 0 FGADHM C[C@H]1C[C@H](C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)C[C@@H](C)C1 ZINC000824877651 609557110 /nfs/dbraw/zinc/55/71/10/609557110.db2.gz ZSCZZHCKCDWYGV-IAZYJMLFSA-N -1 3 365.384 3.479 20 0 FGADHM CCS[C@H]1CC[C@H](N(C)c2ncc(Cl)c(C)c2-c2nnn[n-]2)C1 ZINC000825668753 609562776 /nfs/dbraw/zinc/56/27/76/609562776.db2.gz JNDKOXTWDGWVEC-QWRGUYRKSA-N -1 3 352.895 3.334 20 0 FGADHM CCS[C@H]1CC[C@H](N(C)c2ncc(Cl)c(C)c2-c2nn[n-]n2)C1 ZINC000825668753 609562778 /nfs/dbraw/zinc/56/27/78/609562778.db2.gz JNDKOXTWDGWVEC-QWRGUYRKSA-N -1 3 352.895 3.334 20 0 FGADHM CCS[C@H]1CC[C@@H](N(C)c2ncc(Cl)c(C)c2-c2nnn[n-]2)C1 ZINC000825668752 609563196 /nfs/dbraw/zinc/56/31/96/609563196.db2.gz JNDKOXTWDGWVEC-MNOVXSKESA-N -1 3 352.895 3.334 20 0 FGADHM CCS[C@H]1CC[C@@H](N(C)c2ncc(Cl)c(C)c2-c2nn[n-]n2)C1 ZINC000825668752 609563197 /nfs/dbraw/zinc/56/31/97/609563197.db2.gz JNDKOXTWDGWVEC-MNOVXSKESA-N -1 3 352.895 3.334 20 0 FGADHM Cc1c(Cl)cnc(N2CCS[C@H]3CCCC[C@H]32)c1-c1nnn[n-]1 ZINC000826239180 609572443 /nfs/dbraw/zinc/57/24/43/609572443.db2.gz ZKUKCTVNFPHCIX-NEPJUHHUSA-N -1 3 350.879 3.088 20 0 FGADHM Cc1c(Cl)cnc(N2CCS[C@H]3CCCC[C@H]32)c1-c1nn[n-]n1 ZINC000826239180 609572447 /nfs/dbraw/zinc/57/24/47/609572447.db2.gz ZKUKCTVNFPHCIX-NEPJUHHUSA-N -1 3 350.879 3.088 20 0 FGADHM Cc1c(Cl)cnc(N[C@H]2COc3ccc(Cl)cc32)c1-c1nnn[n-]1 ZINC000826239326 609577402 /nfs/dbraw/zinc/57/74/02/609577402.db2.gz DFEITHPSVZNGMN-NSHDSACASA-N -1 3 363.208 3.423 20 0 FGADHM Cc1c(Cl)cnc(N[C@H]2COc3ccc(Cl)cc32)c1-c1nn[n-]n1 ZINC000826239326 609577403 /nfs/dbraw/zinc/57/74/03/609577403.db2.gz DFEITHPSVZNGMN-NSHDSACASA-N -1 3 363.208 3.423 20 0 FGADHM Cc1cccc(CN(Cc2ccccn2)c2nccc(C)c2-c2nnn[n-]2)c1 ZINC000826298545 609581001 /nfs/dbraw/zinc/58/10/01/609581001.db2.gz XUJBXUIGSHDUNF-UHFFFAOYSA-N -1 3 371.448 3.480 20 0 FGADHM Cc1cccc(CN(Cc2ccccn2)c2nccc(C)c2-c2nn[n-]n2)c1 ZINC000826298545 609581002 /nfs/dbraw/zinc/58/10/02/609581002.db2.gz XUJBXUIGSHDUNF-UHFFFAOYSA-N -1 3 371.448 3.480 20 0 FGADHM CC/C(C)=C(/C)C(=O)Nc1c(C)c(C)nn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000825050432 609586412 /nfs/dbraw/zinc/58/64/12/609586412.db2.gz JFRQIMMFLJWSNN-QXMHVHEDSA-N -1 3 365.441 3.354 20 0 FGADHM CN(C(=O)c1ccc([C@H]2CCCOC2)cc1)c1ccccc1-c1nnn[n-]1 ZINC000825830822 609595777 /nfs/dbraw/zinc/59/57/77/609595777.db2.gz YVLXPYABEYVWKX-INIZCTEOSA-N -1 3 363.421 3.037 20 0 FGADHM CN(C(=O)c1ccc([C@H]2CCCOC2)cc1)c1ccccc1-c1nn[n-]n1 ZINC000825830822 609595778 /nfs/dbraw/zinc/59/57/78/609595778.db2.gz YVLXPYABEYVWKX-INIZCTEOSA-N -1 3 363.421 3.037 20 0 FGADHM CC(=O)c1ccc(C(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)s1 ZINC000824025281 609612770 /nfs/dbraw/zinc/61/27/70/609612770.db2.gz ZZXKJYWNSNFRDE-UHFFFAOYSA-N -1 3 362.798 3.141 20 0 FGADHM CC(=O)c1ccc(C(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)s1 ZINC000824025281 609612771 /nfs/dbraw/zinc/61/27/71/609612771.db2.gz ZZXKJYWNSNFRDE-UHFFFAOYSA-N -1 3 362.798 3.141 20 0 FGADHM C[C@H](OC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)c1ccc2ccccc2c1 ZINC000824713691 609635956 /nfs/dbraw/zinc/63/59/56/609635956.db2.gz JXRGUYNKKQXODP-DJJJIMSYSA-N -1 3 374.400 3.358 20 0 FGADHM C[C@H](OC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)c1ccc2ccccc2c1 ZINC000824713691 609635959 /nfs/dbraw/zinc/63/59/59/609635959.db2.gz JXRGUYNKKQXODP-DJJJIMSYSA-N -1 3 374.400 3.358 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=S)NC(C)C)cc2)cc1 ZINC000006362235 695556581 /nfs/dbraw/zinc/55/65/81/695556581.db2.gz OBONBNADPAOKMW-UHFFFAOYSA-N -1 3 363.508 3.491 20 0 FGADHM O=C(COC(=O)Cc1c(Cl)cccc1Cl)[N-]C(=O)c1cccs1 ZINC000007131227 695563716 /nfs/dbraw/zinc/56/37/16/695563716.db2.gz YESUCSVDPURRSK-UHFFFAOYSA-N -1 3 372.229 3.097 20 0 FGADHM COC(=O)c1sc2[n-]c(C(Cl)=Cc3cccnc3)nc(=O)c2c1C ZINC000007488912 695570388 /nfs/dbraw/zinc/57/03/88/695570388.db2.gz VKITXAMQLAQZFU-POHAHGRESA-N -1 3 361.810 3.212 20 0 FGADHM C[C@@H](OC(=O)c1ccc([O-])cc1)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000011078067 695596627 /nfs/dbraw/zinc/59/66/27/695596627.db2.gz KMZYPOZBMLYSHY-SNVBAGLBSA-N -1 3 351.305 3.178 20 0 FGADHM O=C(COC(=O)c1cc(Cl)c(Cl)[n-]1)N1CCC(c2ccccc2)=N1 ZINC000011810048 695602634 /nfs/dbraw/zinc/60/26/34/695602634.db2.gz NFJYKUJDNRZBMF-UHFFFAOYSA-N -1 3 366.204 3.115 20 0 FGADHM O=C(CSc1cc(Cl)ccc1Cl)NNC(=O)c1ccccc1[O-] ZINC000012670656 695607462 /nfs/dbraw/zinc/60/74/62/695607462.db2.gz IALNXKIJWDDYFZ-UHFFFAOYSA-N -1 3 371.245 3.252 20 0 FGADHM Cc1ccc(SCCC(=O)OCC(=O)[N-]C(=O)c2cccs2)cc1 ZINC000023221834 695660308 /nfs/dbraw/zinc/66/03/08/695660308.db2.gz JAKLNARGWIHMJU-UHFFFAOYSA-N -1 3 363.460 3.039 20 0 FGADHM CCc1ccccc1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000024638515 695669039 /nfs/dbraw/zinc/66/90/39/695669039.db2.gz XZRRBYDIFXWDLC-UHFFFAOYSA-N -1 3 362.426 3.081 20 0 FGADHM CC(C)c1ccccc1OCC(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000024885120 695670929 /nfs/dbraw/zinc/67/09/29/695670929.db2.gz 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O=C([N-]CCCN1CCn2c(cc3cc(Cl)ccc32)C1)C(F)(F)F ZINC000755194164 722951220 /nfs/dbraw/zinc/95/12/20/722951220.db2.gz HBRNTDNXQPXJKE-UHFFFAOYSA-N -1 3 359.779 3.179 20 0 FGADHM CNc1nc(C(=O)O[C@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)cs1 ZINC000756209337 722961800 /nfs/dbraw/zinc/96/18/00/722961800.db2.gz CIEBVPLPNVLJMM-SSDOTTSWSA-N -1 3 364.452 3.430 20 0 FGADHM O=C(COC(=O)c1n[n-]c(-c2ccccc2)c1Br)c1ccc[nH]1 ZINC000757728542 722978972 /nfs/dbraw/zinc/97/89/72/722978972.db2.gz ZMZWZLROGCHDKV-UHFFFAOYSA-N -1 3 374.194 3.207 20 0 FGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H](O)c2ccsc2)c1Cl ZINC000758513671 722990885 /nfs/dbraw/zinc/99/08/85/722990885.db2.gz FYEBHTCDQOEZQL-NSHDSACASA-N -1 3 366.291 3.375 20 0 FGADHM Cn1nc(C[N-]C(=O)C(F)(F)c2c(F)cccc2F)c2ccccc21 ZINC000759360957 723003484 /nfs/dbraw/zinc/00/34/84/723003484.db2.gz NFYYXHPMWRGXBB-UHFFFAOYSA-N -1 3 351.303 3.260 20 0 FGADHM CC(C)[C@H]([N-]S(=O)(=O)/C=C\c1ccc(F)cc1)C(=O)OC(C)(C)C ZINC000759804339 723022095 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CCCCc1nc(NC(=O)c2cccc(Cl)n2)c(C(=O)OCC)[n-]1 ZINC000792553245 723346865 /nfs/dbraw/zinc/34/68/65/723346865.db2.gz JZHVDHLTTGHFOA-UHFFFAOYSA-N -1 3 350.806 3.230 20 0 FGADHM [O-]c1ccc(CNC(=S)NCc2ccccc2)cc1Br ZINC000764526844 723422003 /nfs/dbraw/zinc/42/20/03/723422003.db2.gz ZGHFJLDIUOFGFI-UHFFFAOYSA-N -1 3 351.269 3.319 20 0 FGADHM COc1ccc(CC(=O)[N-]OCc2nc(Cl)ccc2Cl)cc1OC ZINC000764937102 723461272 /nfs/dbraw/zinc/46/12/72/723461272.db2.gz OTADBFDCCKPHKT-UHFFFAOYSA-N -1 3 371.220 3.196 20 0 FGADHM CSCCO[N-]C(=O)CCc1nc2ccccc2n1-c1ccccc1 ZINC000794189217 723496661 /nfs/dbraw/zinc/49/66/61/723496661.db2.gz XXPLRGFTAQGPAF-UHFFFAOYSA-N -1 3 355.463 3.369 20 0 FGADHM Cc1ccc(-c2cc(C(=O)OCc3cc(Br)no3)n[n-]2)o1 ZINC000795335479 723582796 /nfs/dbraw/zinc/58/27/96/723582796.db2.gz GCKOVRWAKFOEBP-UHFFFAOYSA-N -1 3 352.144 3.086 20 0 FGADHM Cc1ccc(-c2cc(C(=O)OCc3cc(Br)no3)[n-]n2)o1 ZINC000795335479 723582798 /nfs/dbraw/zinc/58/27/98/723582798.db2.gz GCKOVRWAKFOEBP-UHFFFAOYSA-N -1 3 352.144 3.086 20 0 FGADHM C[C@@H](O)c1cc([N-]S(=O)(=O)c2ccc3c(c2)CC(C)(C)O3)ccc1F ZINC000795383076 723587149 /nfs/dbraw/zinc/58/71/49/723587149.db2.gz VUZUXNSHCIQDAP-LLVKDONJSA-N -1 3 365.426 3.393 20 0 FGADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(F)c([C@@H](C)O)c2)c(C)c1 ZINC000795386375 723587390 /nfs/dbraw/zinc/58/73/90/723587390.db2.gz GZCCGKXITODCGV-GFCCVEGCSA-N -1 3 353.415 3.305 20 0 FGADHM CC(C)(C)[C@@H](OC(=O)c1ccc([N-]S(C)(=O)=O)cc1)C(F)(F)F ZINC000767476744 723620622 /nfs/dbraw/zinc/62/06/22/723620622.db2.gz YVRUERYXZDQPCD-GFCCVEGCSA-N -1 3 353.362 3.192 20 0 FGADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]C[C@@H](O)c1cccc(C)c1 ZINC000767853347 723637065 /nfs/dbraw/zinc/63/70/65/723637065.db2.gz XTRLTRHJGOCRLI-MRXNPFEDSA-N -1 3 363.410 3.201 20 0 FGADHM COc1ccc(NC(=O)c2cc3c(cc2[O-])OCO3)c(Br)c1 ZINC000769755296 723694175 /nfs/dbraw/zinc/69/41/75/723694175.db2.gz WUPKASJYBKYCFV-UHFFFAOYSA-N -1 3 366.167 3.144 20 0 FGADHM CC[C@@H]([N-]S(=O)(=O)c1cn(C)c(Cl)n1)C(C)(C)c1ccccc1 ZINC000769907244 723699999 /nfs/dbraw/zinc/69/99/99/723699999.db2.gz MWLDACUKICROLK-CYBMUJFWSA-N -1 3 355.891 3.108 20 0 FGADHM CC(C)(C)[C@H]([N-]S(C)(=O)=O)C(=O)OCc1ccc(Cl)c(Cl)c1 ZINC000770105926 723706201 /nfs/dbraw/zinc/70/62/01/723706201.db2.gz XROKZOJVCLZCIX-GFCCVEGCSA-N -1 3 368.282 3.001 20 0 FGADHM CC(C)(C)[C@H]([N-]S(C)(=O)=O)C(=O)OCc1c(Cl)cccc1Cl ZINC000770110484 723706390 /nfs/dbraw/zinc/70/63/90/723706390.db2.gz KMZQQLSXQSLUPK-GFCCVEGCSA-N -1 3 368.282 3.001 20 0 FGADHM O=S(=O)([N-][C@@H]1[C@@H]2CCc3ccccc3[C@@H]21)c1ccc(Cl)nc1Cl ZINC000771970327 723747058 /nfs/dbraw/zinc/74/70/58/723747058.db2.gz OXWIXIIVNRUTOE-BYCMXARLSA-N -1 3 369.273 3.395 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]C2(c3ccc(Cl)cc3)CCOCC2)o1 ZINC000773302543 723781868 /nfs/dbraw/zinc/78/18/68/723781868.db2.gz OBWXGORBZAQZGZ-UHFFFAOYSA-N -1 3 355.843 3.226 20 0 FGADHM Cc1ccsc1CC[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000773343624 723783213 /nfs/dbraw/zinc/78/32/13/723783213.db2.gz JFZWJILLSGKDCG-UHFFFAOYSA-N -1 3 351.280 3.279 20 0 FGADHM COC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(N(C)C)cc2)c1C ZINC000797817379 723865800 /nfs/dbraw/zinc/86/58/00/723865800.db2.gz UVLMRMYRRONJPX-UHFFFAOYSA-N -1 3 363.439 3.040 20 0 FGADHM COCc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(F)c2)cc1 ZINC000774613700 723910559 /nfs/dbraw/zinc/91/05/59/723910559.db2.gz GUDOUNFPFUMDOE-UHFFFAOYSA-N -1 3 364.442 3.373 20 0 FGADHM C[C@@H]1CCC[C@H](NC(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)CC1 ZINC000798464800 723934299 /nfs/dbraw/zinc/93/42/99/723934299.db2.gz KSGQUVLCZCTKBD-OCCSQVGLSA-N -1 3 363.424 3.055 20 0 FGADHM Cc1nc(C)c(CC(=O)O[C@H](C)c2ccc(C(F)(F)F)cn2)c(=O)[n-]1 ZINC000798924929 723976307 /nfs/dbraw/zinc/97/63/07/723976307.db2.gz LDCZJFAOUOGWSP-SECBINFHSA-N -1 3 355.316 3.060 20 0 FGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)Nc1ccccc1SC(F)F ZINC000775456401 723992632 /nfs/dbraw/zinc/99/26/32/723992632.db2.gz RYGHGMIMIXGKQE-UHFFFAOYSA-N -1 3 367.303 3.460 20 0 FGADHM C[C@@H](c1ccc(F)c(F)c1)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000799173741 723994894 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O=C(/C=C/c1ccc(I)o1)[N-]OC1CCCCC1 ZINC000777963054 724276041 /nfs/dbraw/zinc/27/60/41/724276041.db2.gz SEIGWKJUMIHFAV-VQHVLOKHSA-N -1 3 361.179 3.278 20 0 FGADHM Cc1nc(C)c(CC(=O)OCC(=O)c2cccc(Cl)c2Cl)c(=O)[n-]1 ZINC000801825673 724337429 /nfs/dbraw/zinc/33/74/29/724337429.db2.gz WMGORFYRCCNSQX-UHFFFAOYSA-N -1 3 369.204 3.074 20 0 FGADHM CN(Cc1ccccc1)C(=O)COC(=O)c1cc2sccc2c([O-])c1 ZINC000786140034 724962560 /nfs/dbraw/zinc/96/25/60/724962560.db2.gz MQVIOADDUCUJII-UHFFFAOYSA-N -1 3 355.415 3.422 20 0 FGADHM COc1cccc(NC(=O)COC(=O)c2cc3sccc3c([O-])c2)c1 ZINC000786139139 724962598 /nfs/dbraw/zinc/96/25/98/724962598.db2.gz YRMHMNKSAQFXSM-UHFFFAOYSA-N -1 3 357.387 3.411 20 0 FGADHM CN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)C1(C)CCCC1 ZINC000786538382 724987508 /nfs/dbraw/zinc/98/75/08/724987508.db2.gz LBRZAPNPJPNOQC-UHFFFAOYSA-N -1 3 370.490 3.307 20 0 FGADHM CCOC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C)cnc2Cl)c1 ZINC000786880917 725005372 /nfs/dbraw/zinc/00/53/72/725005372.db2.gz SIVGXQSBJYOOJO-UHFFFAOYSA-N -1 3 354.815 3.021 20 0 FGADHM O=C(CCCc1ccc([O-])c(F)c1)OCc1nccn1CC(F)(F)F ZINC000787830392 725039005 /nfs/dbraw/zinc/03/90/05/725039005.db2.gz QIEZCUVPOBPDLW-UHFFFAOYSA-N -1 3 360.307 3.356 20 0 FGADHM Cc1cccc2[nH]cc(CC[N-]S(=O)(=O)c3cnc(Cl)c(F)c3)c21 ZINC000805026855 725044875 /nfs/dbraw/zinc/04/48/75/725044875.db2.gz ACZVMSUDTKDNCZ-UHFFFAOYSA-N -1 3 367.833 3.185 20 0 FGADHM Cc1ccccc1[C@H]1C[C@H]([N-]S(=O)(=O)c2cnc(Cl)c(F)c2)C1 ZINC000805087855 725048920 /nfs/dbraw/zinc/04/89/20/725048920.db2.gz QPLSXHPZVIUFHB-HAQNSBGRSA-N -1 3 354.834 3.407 20 0 FGADHM Cc1c([O-])ccc2c(CN(C)CC(F)(F)Br)cc(=O)oc12 ZINC000805838040 725100218 /nfs/dbraw/zinc/10/02/18/725100218.db2.gz YDMWDMWLCJLASF-UHFFFAOYSA-N -1 3 362.170 3.227 20 0 FGADHM Cc1cccc2c1OCC[C@@H]2OC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000789497138 725132198 /nfs/dbraw/zinc/13/21/98/725132198.db2.gz PIDDFGKHBKMAEC-INIZCTEOSA-N -1 3 361.419 3.047 20 0 FGADHM O=C(c1cc([O-])ccc1Cl)N1CCN(Cc2ccc(Cl)nc2)CC1 ZINC000810413205 725306675 /nfs/dbraw/zinc/30/66/75/725306675.db2.gz RFGUCSRSPAKFMR-UHFFFAOYSA-N -1 3 366.248 3.052 20 0 FGADHM COC(=O)c1ccc(COC(=O)c2cc3cc(Cl)sc3[n-]2)nc1 ZINC000810873790 725332172 /nfs/dbraw/zinc/33/21/72/725332172.db2.gz VVPLDLYCFILAPV-UHFFFAOYSA-N -1 3 350.783 3.421 20 0 FGADHM CC(C)(C)SCCCC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000810899744 725333789 /nfs/dbraw/zinc/33/37/89/725333789.db2.gz OZPULRRYAPQAKZ-GFCCVEGCSA-N -1 3 368.465 3.215 20 0 FGADHM O=C(OCCc1nnnn1-c1ccccc1)c1cc2cc(Cl)sc2[n-]1 ZINC000811394723 725361370 /nfs/dbraw/zinc/36/13/70/725361370.db2.gz YVFKQUGWGSQVRD-UHFFFAOYSA-N -1 3 373.825 3.258 20 0 FGADHM Cc1ccc(C)c(NC(=S)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)c1 ZINC000811712288 725377824 /nfs/dbraw/zinc/37/78/24/725377824.db2.gz ODQFHXDFNIHERW-CYBMUJFWSA-N -1 3 373.444 3.391 20 0 FGADHM Cc1cccc(NC(=S)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)c1 ZINC000811712024 725377854 /nfs/dbraw/zinc/37/78/54/725377854.db2.gz DUXOLKKCQAEKIS-GFCCVEGCSA-N -1 3 359.417 3.082 20 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CLGUYUSFQUEZRB-UHFFFAOYSA-N -1 3 354.397 3.327 20 0 FGADHM Cc1sc2[n-]c([C@@H](C)OC(=O)[C@@H](C)c3ccnn3C)nc(=O)c2c1C ZINC000817265505 727234067 /nfs/dbraw/zinc/23/40/67/727234067.db2.gz DKAIVSGQHUZDMX-VHSXEESVSA-N -1 3 360.439 3.155 20 0 FGADHM O=C(CCC[S@](=O)c1ccc(Br)cc1)[N-]OCCC1CC1 ZINC000817416704 727249270 /nfs/dbraw/zinc/24/92/70/727249270.db2.gz QSWIVENFOZOTKB-NRFANRHFSA-N -1 3 374.300 3.185 20 0 FGADHM CSc1nc2ccc([N-]S(=O)(=O)CCOCC3CC3)cc2s1 ZINC000818048164 727293865 /nfs/dbraw/zinc/29/38/65/727293865.db2.gz UFKPCVMMDXXRKK-UHFFFAOYSA-N -1 3 358.510 3.187 20 0 FGADHM O=C(CNc1nc(Cl)c(C(F)(F)F)cc1Cl)[N-]CC(F)(F)F ZINC000820630588 729012418 /nfs/dbraw/zinc/01/24/18/729012418.db2.gz WTWYPMNUEVLZCQ-UHFFFAOYSA-N -1 3 370.080 3.498 20 0 FGADHM O=S(=O)([N-]Cc1nc2ccccc2o1)c1ccc(Br)s1 ZINC000820716503 729020843 /nfs/dbraw/zinc/02/08/43/729020843.db2.gz IHUHIVZHURMHCR-UHFFFAOYSA-N -1 3 373.253 3.130 20 0 FGADHM O=c1ccc2cc(S(=O)(=O)[N-]c3cnc(Cl)cc3Cl)ccc2[nH]1 ZINC000820799414 729032486 /nfs/dbraw/zinc/03/24/86/729032486.db2.gz ONASGBGDPRXAJC-UHFFFAOYSA-N -1 3 370.217 3.031 20 0 FGADHM Cc1oc(Br)cc1C(=O)OCc1cc(=O)[n-]c(C2CC2)n1 ZINC000820955515 729045821 /nfs/dbraw/zinc/04/58/21/729045821.db2.gz BOQMVYYMNCORQC-UHFFFAOYSA-N -1 3 353.172 3.081 20 0 FGADHM CCc1nc(C[N-]C(=O)C(F)(F)c2cccc(Br)c2)co1 ZINC000821818607 729119372 /nfs/dbraw/zinc/11/93/72/729119372.db2.gz JOOWJAVJELDPBM-UHFFFAOYSA-N -1 3 359.170 3.408 20 0 FGADHM Cc1ccc(CCCC(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)s1 ZINC000822236292 729155641 /nfs/dbraw/zinc/15/56/41/729155641.db2.gz SLAXHSGJSLRMAU-UHFFFAOYSA-N -1 3 355.467 3.218 20 0 FGADHM Cc1ccc(CCCC(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)s1 ZINC000822236292 729155643 /nfs/dbraw/zinc/15/56/43/729155643.db2.gz SLAXHSGJSLRMAU-UHFFFAOYSA-N -1 3 355.467 3.218 20 0 FGADHM Brc1ccc2oc(NCc3ccc(-c4nnn[n-]4)cc3)nc2c1 ZINC000823832856 729307834 /nfs/dbraw/zinc/30/78/34/729307834.db2.gz WZRBLHVQAPWRSU-UHFFFAOYSA-N -1 3 371.198 3.383 20 0 FGADHM Brc1ccc2oc(NCc3ccc(-c4nn[n-]n4)cc3)nc2c1 ZINC000823832856 729307835 /nfs/dbraw/zinc/30/78/35/729307835.db2.gz WZRBLHVQAPWRSU-UHFFFAOYSA-N -1 3 371.198 3.383 20 0 FGADHM CC(C)CCC(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000824245265 729326395 /nfs/dbraw/zinc/32/63/95/729326395.db2.gz XDRUDAOIOSSOTF-UHFFFAOYSA-N -1 3 359.821 3.081 20 0 FGADHM CC(C)CCC(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000824245265 729326398 /nfs/dbraw/zinc/32/63/98/729326398.db2.gz XDRUDAOIOSSOTF-UHFFFAOYSA-N -1 3 359.821 3.081 20 0 FGADHM [O-]C(=NO[C@H]1CCCCO1)Nc1cnn(Cc2cc(F)ccc2Cl)c1 ZINC000824461471 729340841 /nfs/dbraw/zinc/34/08/41/729340841.db2.gz WRQPDKVXXNZSLE-HNNXBMFYSA-N -1 3 368.796 3.304 20 0 FGADHM O=C([N-]O[C@H]1CCCCO1)Nc1cnn(Cc2cc(F)ccc2Cl)c1 ZINC000824461471 729340844 /nfs/dbraw/zinc/34/08/44/729340844.db2.gz WRQPDKVXXNZSLE-HNNXBMFYSA-N -1 3 368.796 3.304 20 0 FGADHM C[C@@H]1CC[C@H](C(=O)Nc2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)C1 ZINC000824906139 729364371 /nfs/dbraw/zinc/36/43/71/729364371.db2.gz AIMAZRWCBDTMDZ-MFKMUULPSA-N -1 3 354.439 3.365 20 0 FGADHM C[C@@H]1CC[C@H](C(=O)Nc2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)C1 ZINC000824906139 729364372 /nfs/dbraw/zinc/36/43/72/729364372.db2.gz AIMAZRWCBDTMDZ-MFKMUULPSA-N -1 3 354.439 3.365 20 0 FGADHM C[C@@H]1CN(c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)[C@@H]2CCCC[C@@H]21 ZINC000825000598 729367381 /nfs/dbraw/zinc/36/73/81/729367381.db2.gz SVWKQLQTXKRMRF-CKYFFXLPSA-N -1 3 352.364 3.295 20 0 FGADHM C[C@@H]1CN(c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)[C@@H]2CCCC[C@@H]21 ZINC000825000598 729367383 /nfs/dbraw/zinc/36/73/83/729367383.db2.gz SVWKQLQTXKRMRF-CKYFFXLPSA-N -1 3 352.364 3.295 20 0 FGADHM CCC(CC)NC(=O)[C@@H](C)Sc1cccc(Cl)c1-c1nnn[n-]1 ZINC000825106778 729371076 /nfs/dbraw/zinc/37/10/76/729371076.db2.gz IEASWWDRZJWWRA-SECBINFHSA-N -1 3 353.879 3.306 20 0 FGADHM CCC(CC)NC(=O)[C@@H](C)Sc1cccc(Cl)c1-c1nn[n-]n1 ZINC000825106778 729371078 /nfs/dbraw/zinc/37/10/78/729371078.db2.gz IEASWWDRZJWWRA-SECBINFHSA-N -1 3 353.879 3.306 20 0 FGADHM CCCc1csc(NC(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000825352452 729380006 /nfs/dbraw/zinc/38/00/06/729380006.db2.gz NVFVPGZPUJUNEX-JTQLQIEISA-N -1 3 357.443 3.158 20 0 FGADHM CCCc1csc(NC(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000825352452 729380007 /nfs/dbraw/zinc/38/00/07/729380007.db2.gz NVFVPGZPUJUNEX-JTQLQIEISA-N -1 3 357.443 3.158 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)[C@H]1CCC[C@@H]1C ZINC000825604696 729389148 /nfs/dbraw/zinc/38/91/48/729389148.db2.gz JXHDVKIYCGYPNK-ONGXEEELSA-N -1 3 350.806 3.260 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)[C@H]1CCC[C@@H]1C ZINC000825604696 729389149 /nfs/dbraw/zinc/38/91/49/729389149.db2.gz JXHDVKIYCGYPNK-ONGXEEELSA-N -1 3 350.806 3.260 20 0 FGADHM C[C@@H](NC(=O)c1c[n-]c2cc(F)c(F)cc2c1=O)C1CCC(F)CC1 ZINC000825643204 729390324 /nfs/dbraw/zinc/39/03/24/729390324.db2.gz YUXMVMFWBAVZOM-KPPDAEKUSA-N -1 3 352.356 3.453 20 0 FGADHM COc1cccc2ncnc(Sc3ccc(-c4nnn[n-]4)cc3F)c21 ZINC000826218326 729405990 /nfs/dbraw/zinc/40/59/90/729405990.db2.gz YVKKDGYOVHAIAH-UHFFFAOYSA-N -1 3 354.370 3.109 20 0 FGADHM COc1cccc2ncnc(Sc3ccc(-c4nn[n-]n4)cc3F)c21 ZINC000826218326 729405992 /nfs/dbraw/zinc/40/59/92/729405992.db2.gz YVKKDGYOVHAIAH-UHFFFAOYSA-N -1 3 354.370 3.109 20 0 FGADHM CSc1ccc(C)c(NC(=O)NCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826230214 729406402 /nfs/dbraw/zinc/40/64/02/729406402.db2.gz JTMDXEHEMPVZEL-UHFFFAOYSA-N -1 3 354.439 3.219 20 0 FGADHM CSc1ccc(C)c(NC(=O)NCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826230214 729406403 /nfs/dbraw/zinc/40/64/03/729406403.db2.gz JTMDXEHEMPVZEL-UHFFFAOYSA-N -1 3 354.439 3.219 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1nc(CC(C)(C)C)cs1 ZINC000826250781 729406596 /nfs/dbraw/zinc/40/65/96/729406596.db2.gz RXEHXQYCHFRITD-UHFFFAOYSA-N -1 3 356.455 3.473 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1nc(CC(C)(C)C)cs1 ZINC000826250781 729406598 /nfs/dbraw/zinc/40/65/98/729406598.db2.gz RXEHXQYCHFRITD-UHFFFAOYSA-N -1 3 356.455 3.473 20 0 FGADHM Cc1nscc1C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000826340460 729407311 /nfs/dbraw/zinc/40/73/11/729407311.db2.gz 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ZINC000829667296 729501072 /nfs/dbraw/zinc/50/10/72/729501072.db2.gz GBFKQKGCNHZMEJ-UHFFFAOYSA-N -1 3 361.467 3.148 20 0 FGADHM CC(C)(C[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)c1ccccn1 ZINC000831810155 729669192 /nfs/dbraw/zinc/66/91/92/729669192.db2.gz IDVMQKIPCCOQIN-UHFFFAOYSA-N -1 3 360.266 3.040 20 0 FGADHM COC[C@@H]1CCCN(Cc2cc(=O)oc3cc([O-])c(Cl)cc23)CC1 ZINC000832745104 729729457 /nfs/dbraw/zinc/72/94/57/729729457.db2.gz IMTRLWIHELRFRH-GFCCVEGCSA-N -1 3 351.830 3.401 20 0 FGADHM O=C([O-])[C@H](c1cc(Cl)cc(Cl)c1)N1CCC[C@@H](C2OCCO2)C1 ZINC000833172345 729741223 /nfs/dbraw/zinc/74/12/23/729741223.db2.gz SVFHNGRQOGMLSP-YGRLFVJLSA-N -1 3 360.237 3.204 20 0 FGADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1ccc(OC2CCCC2)cc1 ZINC000836269165 729950307 /nfs/dbraw/zinc/95/03/07/729950307.db2.gz YAIISFXXKXCVPE-UHFFFAOYSA-N -1 3 350.415 3.403 20 0 FGADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1ccc(OC2CCCC2)cc1 ZINC000836269165 729950308 /nfs/dbraw/zinc/95/03/08/729950308.db2.gz YAIISFXXKXCVPE-UHFFFAOYSA-N -1 3 350.415 3.403 20 0 FGADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1ccc(F)cc1C(F)(F)F ZINC000836369603 729953497 /nfs/dbraw/zinc/95/34/97/729953497.db2.gz DNLMJOLFXNYSGK-UHFFFAOYSA-N -1 3 352.284 3.239 20 0 FGADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1ccc(F)cc1C(F)(F)F ZINC000836369603 729953499 /nfs/dbraw/zinc/95/34/99/729953499.db2.gz DNLMJOLFXNYSGK-UHFFFAOYSA-N -1 3 352.284 3.239 20 0 FGADHM CS(=O)(=O)[N-]c1cc(C(=O)OCC2CCC(F)(F)CC2)ccc1F ZINC000837490467 730034860 /nfs/dbraw/zinc/03/48/60/730034860.db2.gz YWEWMBMYYRPFSQ-UHFFFAOYSA-N -1 3 365.373 3.180 20 0 FGADHM C[C@H](Oc1ccc(F)cc1Cl)C(=O)OCc1cc(=O)[n-]c(C2CC2)n1 ZINC000837525857 730038296 /nfs/dbraw/zinc/03/82/96/730038296.db2.gz ZJKBFUZEBIQNLR-VIFPVBQESA-N -1 3 366.776 3.363 20 0 FGADHM CCc1nnc(COC(=O)c2cc(Br)c(F)cc2[O-])s1 ZINC000837780653 730063161 /nfs/dbraw/zinc/06/31/61/730063161.db2.gz PKZAQXIBMPZPBK-UHFFFAOYSA-N -1 3 361.192 3.065 20 0 FGADHM O=C([N-]C1(C(=O)OCc2ccccc2)CCC1)C(F)(F)c1nccs1 ZINC000838151621 730094537 /nfs/dbraw/zinc/09/45/37/730094537.db2.gz 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ZINC000576997254 505641516 /nfs/dbraw/zinc/64/15/16/505641516.db2.gz MTTWFCREFKAVCR-UHFFFAOYSA-N -1 3 372.899 3.204 20 0 FGADHM Brc1ccc(OCc2nc(-c3ccc4n[n-]nc4c3)no2)cc1 ZINC000577038875 505649652 /nfs/dbraw/zinc/64/96/52/505649652.db2.gz ZGLVFEZSTAUULD-UHFFFAOYSA-N -1 3 372.182 3.349 20 0 FGADHM COc1ccc2ncc(C(=O)[O-])c(NCc3csc([C@H](C)OC)n3)c2c1 ZINC000568275311 505657698 /nfs/dbraw/zinc/65/76/98/505657698.db2.gz VUIJVFHMZDKRNB-JTQLQIEISA-N -1 3 373.434 3.140 20 0 FGADHM Cc1cc(C(=O)N2CCC[C@H]2c2nc(=N)n(C)[n-]2)sc1-c1ccccc1 ZINC000573933225 505654566 /nfs/dbraw/zinc/65/45/66/505654566.db2.gz DQBIXJHKDYMYKB-AWEZNQCLSA-N -1 3 367.478 3.242 20 0 FGADHM CCN(C(=O)Nc1ccc([N-]S(=O)(=O)Cc2ccccc2)cn1)C1CC1 ZINC000571144426 505663945 /nfs/dbraw/zinc/66/39/45/505663945.db2.gz ABBOVKFKWMYILW-UHFFFAOYSA-N -1 3 374.466 3.040 20 0 FGADHM CC[C@H](c1cccc(OC)c1)N(C)C(=O)c1c[n-]c2ccncc2c1=O ZINC000580046957 505669983 /nfs/dbraw/zinc/66/99/83/505669983.db2.gz YJZSCKLDMPYRRJ-GOSISDBHSA-N -1 3 351.406 3.155 20 0 FGADHM Cc1ccccc1[C@H]1CCN([C@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)C1 ZINC000580084315 505674792 /nfs/dbraw/zinc/67/47/92/505674792.db2.gz QBTODHCBAABBRQ-APWZRJJASA-N -1 3 366.461 3.187 20 0 FGADHM CC(C)c1cccc(OS(=O)(=O)c2c[n-]c(C(=O)N3CCCC3)c2)c1 ZINC000027953085 493768997 /nfs/dbraw/zinc/76/89/97/493768997.db2.gz UZRNMMKETMBDFW-UHFFFAOYSA-N -1 3 362.451 3.142 20 0 FGADHM COc1ccccc1-c1nc(NC(=O)COc2c(C)cccc2C)n[n-]1 ZINC000048012203 493773129 /nfs/dbraw/zinc/77/31/29/493773129.db2.gz ZIKVGMZGERYXBW-UHFFFAOYSA-N -1 3 352.394 3.115 20 0 FGADHM C[C@H](CCc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000048016211 493773579 /nfs/dbraw/zinc/77/35/79/493773579.db2.gz SQYQAMYUFFUGBX-VQIMIIECSA-N -1 3 366.461 3.134 20 0 FGADHM O=S(=O)([N-]Cc1ccc(Br)s1)c1ccccc1F ZINC000028060218 493775015 /nfs/dbraw/zinc/77/50/15/493775015.db2.gz JMSHWODWYLYFKK-UHFFFAOYSA-N -1 3 350.234 3.128 20 0 FGADHM O=C(Nc1ccc(F)c(Cl)c1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000048030401 493776046 /nfs/dbraw/zinc/77/60/46/493776046.db2.gz GQGQSDDZRHZCTN-OAHLLOKOSA-N -1 3 362.788 3.428 20 0 FGADHM COc1ccc([C@@H](CNC(=O)c2cc(C)ccc2[O-])N2CCCC2)cc1 ZINC000057616249 493777822 /nfs/dbraw/zinc/77/78/22/493777822.db2.gz FWDIGGDIYAKKAJ-LJQANCHMSA-N -1 3 354.450 3.276 20 0 FGADHM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2Cl)c1 ZINC000028196576 493778891 /nfs/dbraw/zinc/77/88/91/493778891.db2.gz IFEQTPAXKQQRRU-UHFFFAOYSA-N -1 3 357.790 3.375 20 0 FGADHM COC(=O)c1ccc(C(=O)[N-]c2nnc(-c3ccc(C)cc3C)s2)nc1 ZINC000068438365 493821556 /nfs/dbraw/zinc/82/15/56/493821556.db2.gz OTRIEOLKQSVRCO-UHFFFAOYSA-N -1 3 368.418 3.256 20 0 FGADHM O=C1[N-]C(=O)/C(=C/N[C@@H](c2ccccc2)c2ccncc2)c2ccccc21 ZINC000029185715 493824635 /nfs/dbraw/zinc/82/46/35/493824635.db2.gz AYXQKEIAYQJDNH-SSUIOBEFSA-N -1 3 355.397 3.072 20 0 FGADHM Cc1cccc(S(=O)(=O)[N-]C2(Cc3ccccc3)CCOCC2)c1F ZINC000577187967 505683062 /nfs/dbraw/zinc/68/30/62/505683062.db2.gz AOOQDVDMQBIKIT-UHFFFAOYSA-N -1 3 363.454 3.204 20 0 FGADHM CCCS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc3c(c2)CCO3)cc1 ZINC000076196932 493841186 /nfs/dbraw/zinc/84/11/86/493841186.db2.gz YVZBTYDVPGDBBU-UHFFFAOYSA-N -1 3 360.435 3.026 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(N(C)CCc3ccccc3OC)nc2)n1 ZINC000068701492 493860214 /nfs/dbraw/zinc/86/02/14/493860214.db2.gz RCSNVDXFUDDJSF-UHFFFAOYSA-N -1 3 364.449 3.082 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccccc3COC)c2)n1 ZINC000049305088 493868989 /nfs/dbraw/zinc/86/89/89/493868989.db2.gz GVBWEGNVQOZBRN-UHFFFAOYSA-N -1 3 363.417 3.398 20 0 FGADHM Cc1cccc([C@@H]2CCCCN2C(=O)Cc2c(C)nc(C)[n-]c2=O)c1C ZINC000081323465 493869222 /nfs/dbraw/zinc/86/92/22/493869222.db2.gz APSOSVKKXIXOFX-IBGZPJMESA-N -1 3 353.466 3.300 20 0 FGADHM COC(=O)c1sc2[n-]c(CN(C)c3cc(C)cc(C)c3)nc(=O)c2c1C ZINC000059423663 493906232 /nfs/dbraw/zinc/90/62/32/493906232.db2.gz HAYJCDRVDFRRMY-UHFFFAOYSA-N -1 3 371.462 3.333 20 0 FGADHM O=C(CCCNC(=O)NC1CCCCC1)Nc1cc(Cl)ccc1[O-] ZINC000060093456 493914930 /nfs/dbraw/zinc/91/49/30/493914930.db2.gz UXLMEBAROSTZBB-UHFFFAOYSA-N -1 3 353.850 3.396 20 0 FGADHM COc1ccc(N2C[C@@H](C(=O)Nc3cc(Cl)ccc3[O-])CC2=O)cc1 ZINC000060093452 493915058 /nfs/dbraw/zinc/91/50/58/493915058.db2.gz GLSMFGQSLHWXJW-NSHDSACASA-N -1 3 360.797 3.046 20 0 FGADHM CC(C)[C@H]([N-]S(=O)(=O)c1ccc2c(c1)CCC2)c1nc(C2CC2)no1 ZINC000069128790 493926045 /nfs/dbraw/zinc/92/60/45/493926045.db2.gz OZFUFURDMXHYJM-INIZCTEOSA-N -1 3 361.467 3.111 20 0 FGADHM CCCC[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(CCNC(C)=O)s1 ZINC000069131270 493927255 /nfs/dbraw/zinc/92/72/55/493927255.db2.gz RMIDCLLDMRSPIU-HOCLYGCPSA-N -1 3 372.556 3.064 20 0 FGADHM Cc1nc(C)c(CC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)c(=O)[n-]1 ZINC000031211301 493931870 /nfs/dbraw/zinc/93/18/70/493931870.db2.gz XDAJNAKAINSNIK-MRVPVSSYSA-N -1 3 354.237 3.113 20 0 FGADHM O=S(=O)([N-]Cc1cccc2c1OCO2)c1cc(Cl)ccc1Cl ZINC000060509071 493939871 /nfs/dbraw/zinc/93/98/71/493939871.db2.gz MZGZXTUOEXERRO-UHFFFAOYSA-N -1 3 360.218 3.201 20 0 FGADHM Cc1cccc(NC(=O)c2cc(-c3ccco3)[n-]n2)c1C(=O)N1CCCC1 ZINC000060535581 493942968 /nfs/dbraw/zinc/94/29/68/493942968.db2.gz DCCGIUJZLWPMHD-UHFFFAOYSA-N -1 3 364.405 3.466 20 0 FGADHM Cc1cccc(NC(=O)c2cc(-c3ccco3)n[n-]2)c1C(=O)N1CCCC1 ZINC000060535581 493942971 /nfs/dbraw/zinc/94/29/71/493942971.db2.gz DCCGIUJZLWPMHD-UHFFFAOYSA-N -1 3 364.405 3.466 20 0 FGADHM Cc1ccc(C(=O)NCc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)c([O-])c1 ZINC000031413551 493943409 /nfs/dbraw/zinc/94/34/09/493943409.db2.gz GUXMGVYCYWXKOZ-CALCHBBNSA-N -1 3 368.477 3.240 20 0 FGADHM COC(=O)c1c(C)nc(=O)[n-]c1SCc1ccc(OC(F)(F)F)cc1 ZINC000031617727 493951386 /nfs/dbraw/zinc/95/13/86/493951386.db2.gz WPWYTXQAFYQEEB-UHFFFAOYSA-N -1 3 374.340 3.056 20 0 FGADHM Cc1cnc(C(=O)[N-]c2nnc(SCc3ccc(F)cc3)s2)cn1 ZINC000006219355 493955309 /nfs/dbraw/zinc/95/53/09/493955309.db2.gz ICDWCEBYNZISJF-UHFFFAOYSA-N -1 3 361.427 3.320 20 0 FGADHM CCc1cccc(C(=O)N2CCCN(Cc3ccc(F)cc3)CC2)c1[O-] ZINC000081933214 493968848 /nfs/dbraw/zinc/96/88/48/493968848.db2.gz PDHRBTKEESDXDX-UHFFFAOYSA-N -1 3 356.441 3.442 20 0 FGADHM O=C(N[C@H]1CC12CCOCC2)c1cc(OCc2ccccc2)ccc1[O-] ZINC000571259562 505692516 /nfs/dbraw/zinc/69/25/16/505692516.db2.gz QTEDPWFXVQIWLH-IBGZPJMESA-N -1 3 353.418 3.270 20 0 FGADHM Cc1cccc(CC[N-]S(=O)(=O)c2ccc(Br)s2)c1 ZINC000051689841 493983533 /nfs/dbraw/zinc/98/35/33/493983533.db2.gz UMOAGQLTRSJMGH-UHFFFAOYSA-N -1 3 360.298 3.340 20 0 FGADHM COC(=O)c1c(C)nc(=O)[n-]c1SCCCOc1ccc(Cl)cc1 ZINC000007319719 494015768 /nfs/dbraw/zinc/01/57/68/494015768.db2.gz HJQPVWKEONIEOP-UHFFFAOYSA-N -1 3 368.842 3.080 20 0 FGADHM CCCC[C@@H](CC)C(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000033000855 494034976 /nfs/dbraw/zinc/03/49/76/494034976.db2.gz HIVDVKQQKZVEBH-CQSZACIVSA-N -1 3 372.556 3.234 20 0 FGADHM O=S(=O)([N-]CCSCc1ccccc1F)c1ccc(F)c(F)c1 ZINC000007688904 494036800 /nfs/dbraw/zinc/03/68/00/494036800.db2.gz DMSHYXFIRLOIFQ-UHFFFAOYSA-N -1 3 361.410 3.316 20 0 FGADHM O=S(=O)([N-]Cc1ccc(Cl)s1)c1cncc(Br)c1 ZINC000070216170 494042709 /nfs/dbraw/zinc/04/27/09/494042709.db2.gz MYKPMYAJHFRZNF-UHFFFAOYSA-N -1 3 367.677 3.038 20 0 FGADHM CCCS(=O)(=O)c1ccccc1C(=O)[N-]c1nnc(SCC)s1 ZINC000033148089 494048242 /nfs/dbraw/zinc/04/82/42/494048242.db2.gz BNCCYPVWXUCFNE-UHFFFAOYSA-N -1 3 371.509 3.086 20 0 FGADHM COc1ccc(C(=O)N2CCCC2)cc1NC([O-])=NOCc1ccccc1 ZINC000063394875 494050501 /nfs/dbraw/zinc/05/05/01/494050501.db2.gz HESHKNJYRYYCJC-UHFFFAOYSA-N -1 3 369.421 3.185 20 0 FGADHM COc1ccc(C(=O)N2CCCC2)cc1NC(=O)[N-]OCc1ccccc1 ZINC000063394875 494050504 /nfs/dbraw/zinc/05/05/04/494050504.db2.gz HESHKNJYRYYCJC-UHFFFAOYSA-N -1 3 369.421 3.185 20 0 FGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000070730766 494051873 /nfs/dbraw/zinc/05/18/73/494051873.db2.gz ONCAFKIESBOQNJ-UHFFFAOYSA-N -1 3 358.405 3.479 20 0 FGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000070730766 494051876 /nfs/dbraw/zinc/05/18/76/494051876.db2.gz ONCAFKIESBOQNJ-UHFFFAOYSA-N -1 3 358.405 3.479 20 0 FGADHM Cc1nc(C)c(CCC(=O)N[C@H](C)CC(C)(C)c2ccccc2)c(=O)[n-]1 ZINC000070767237 494054499 /nfs/dbraw/zinc/05/44/99/494054499.db2.gz LFVUPAVMMFIGIG-CQSZACIVSA-N -1 3 355.482 3.192 20 0 FGADHM O=C(Nc1nnc(-c2ccco2)[n-]1)c1ccc(Br)c(F)c1 ZINC000063466232 494057554 /nfs/dbraw/zinc/05/75/54/494057554.db2.gz WDWALFHDPVHJMJ-UHFFFAOYSA-N -1 3 351.135 3.219 20 0 FGADHM O=C(Nc1nc(-c2ccco2)n[n-]1)c1ccc(Br)c(F)c1 ZINC000063466232 494057559 /nfs/dbraw/zinc/05/75/59/494057559.db2.gz WDWALFHDPVHJMJ-UHFFFAOYSA-N -1 3 351.135 3.219 20 0 FGADHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1ccc(Br)c(F)c1 ZINC000063466232 494057563 /nfs/dbraw/zinc/05/75/63/494057563.db2.gz WDWALFHDPVHJMJ-UHFFFAOYSA-N -1 3 351.135 3.219 20 0 FGADHM CC(C)c1cc(C(=O)[N-]c2ccccc2S(=O)(=O)NC(C)(C)C)on1 ZINC000070806168 494059085 /nfs/dbraw/zinc/05/90/85/494059085.db2.gz SIGBULRPQLIESW-UHFFFAOYSA-N -1 3 365.455 3.127 20 0 FGADHM COc1ccc(OCCS(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1 ZINC000070878128 494064486 /nfs/dbraw/zinc/06/44/86/494064486.db2.gz UPNZCMUBYCZSKC-UHFFFAOYSA-N -1 3 359.806 3.308 20 0 FGADHM CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc2nc(C)[nH]c2c1 ZINC000063701875 494077529 /nfs/dbraw/zinc/07/75/29/494077529.db2.gz VEFHQZNDXOYVPV-UHFFFAOYSA-N -1 3 372.450 3.275 20 0 FGADHM COc1cc(F)c(S(=O)(=O)[N-]Cc2c(C)cc(C)cc2C)cc1OC ZINC000063764582 494085625 /nfs/dbraw/zinc/08/56/25/494085625.db2.gz ONPJGRKKFDCSDI-UHFFFAOYSA-N -1 3 367.442 3.247 20 0 FGADHM C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)c2c[n-]c3ccncc3c2=O)C1 ZINC000571292297 505700323 /nfs/dbraw/zinc/70/03/23/505700323.db2.gz HSRORMUZCAUWBC-XIKOKIGWSA-N -1 3 351.381 3.286 20 0 FGADHM COc1ccc([O-])c(C(=O)N2CCC(Nc3ccccc3OC)CC2)c1 ZINC000085708912 494136515 /nfs/dbraw/zinc/13/65/15/494136515.db2.gz DMWKIUMEMHSSHT-UHFFFAOYSA-N -1 3 356.422 3.126 20 0 FGADHM O=S(=O)([N-]C1CCN(c2ccccc2)CC1)c1ccc(F)cc1Cl ZINC000053672396 494157699 /nfs/dbraw/zinc/15/76/99/494157699.db2.gz AQLVLDBSAJKSSC-UHFFFAOYSA-N -1 3 368.861 3.426 20 0 FGADHM Cn1[n-]c(-c2ccccc2Cl)nc1=NC(=O)c1ccc2c(n1)CCCC2 ZINC000580206451 505703392 /nfs/dbraw/zinc/70/33/92/505703392.db2.gz AHZGBSYUTVZKTP-UHFFFAOYSA-N -1 3 367.840 3.084 20 0 FGADHM NC(=O)c1ccc(F)c(NC(=O)c2c[n-]nc2-c2cccc(Cl)c2)c1 ZINC000087125579 494175027 /nfs/dbraw/zinc/17/50/27/494175027.db2.gz BFXKRDUXWRRVFQ-UHFFFAOYSA-N -1 3 358.760 3.220 20 0 FGADHM O=C(Nc1cccc(N2CCCCC2=O)c1)c1c[n-]c2ccccc2c1=O ZINC000042056476 494197509 /nfs/dbraw/zinc/19/75/09/494197509.db2.gz HDOUHYKYOWCYBG-UHFFFAOYSA-N -1 3 361.401 3.297 20 0 FGADHM O=C(Nc1cccc(N2CCCCC2=O)c1)c1cnc2ccccc2c1[O-] ZINC000042056476 494197513 /nfs/dbraw/zinc/19/75/13/494197513.db2.gz HDOUHYKYOWCYBG-UHFFFAOYSA-N -1 3 361.401 3.297 20 0 FGADHM O=C(NC[C@H](c1ccco1)N1CCCC1)c1cc2c(cc1[O-])CCCC2 ZINC000065616884 494220368 /nfs/dbraw/zinc/22/03/68/494220368.db2.gz OVKVAFMWUMJHSI-GOSISDBHSA-N -1 3 354.450 3.431 20 0 FGADHM COC(=O)c1cc(-c2csc([N-]C(=O)c3cc(C(C)C)no3)n2)c[nH]1 ZINC000072648693 494225370 /nfs/dbraw/zinc/22/53/70/494225370.db2.gz PRLGNCVCPHAELQ-UHFFFAOYSA-N -1 3 360.395 3.289 20 0 FGADHM 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ZINC000574177345 505713263 /nfs/dbraw/zinc/71/32/63/505713263.db2.gz ODHSNEJXKDJRBB-CQSZACIVSA-N -1 3 369.446 3.305 20 0 FGADHM Cc1cc(N2CCN(C(=O)c3ccccc3[O-])CC2)c2cc(F)ccc2n1 ZINC000089589634 494326754 /nfs/dbraw/zinc/32/67/54/494326754.db2.gz VEAXRMJQWXSUCM-UHFFFAOYSA-N -1 3 365.408 3.350 20 0 FGADHM COc1cc(F)c([N-]S(=O)(=O)c2ccc(F)cc2Cl)cc1OC ZINC000078612996 494329883 /nfs/dbraw/zinc/32/98/83/494329883.db2.gz LKDYEVBHZWFMPW-UHFFFAOYSA-N -1 3 363.769 3.436 20 0 FGADHM COc1ccc(COCCCC(=O)Nc2nnc(-c3ccco3)[n-]2)cc1 ZINC000089689407 494343572 /nfs/dbraw/zinc/34/35/72/494343572.db2.gz XUHQBERZUHDIFX-UHFFFAOYSA-N -1 3 356.382 3.009 20 0 FGADHM COc1ccc(COCCCC(=O)Nc2nc(-c3ccco3)n[n-]2)cc1 ZINC000089689407 494343576 /nfs/dbraw/zinc/34/35/76/494343576.db2.gz XUHQBERZUHDIFX-UHFFFAOYSA-N -1 3 356.382 3.009 20 0 FGADHM COc1ccc(COCCCC(=O)Nc2n[n-]c(-c3ccco3)n2)cc1 ZINC000089689407 494343580 /nfs/dbraw/zinc/34/35/80/494343580.db2.gz XUHQBERZUHDIFX-UHFFFAOYSA-N -1 3 356.382 3.009 20 0 FGADHM CCOC(=O)c1sc2[nH]c(-c3ccc([O-])c(OCC)c3)nc(=O)c2c1C ZINC000055493916 494352927 /nfs/dbraw/zinc/35/29/27/494352927.db2.gz STXXTJQOWQEDGZ-UHFFFAOYSA-N -1 3 374.418 3.241 20 0 FGADHM CCCCNC(=O)Cc1nc(=O)c2c(-c3ccc(OC)cc3)csc2[n-]1 ZINC000055503269 494353449 /nfs/dbraw/zinc/35/34/49/494353449.db2.gz HFIGSIHDFBKUTQ-UHFFFAOYSA-N -1 3 371.462 3.119 20 0 FGADHM CC(C)Cc1csc2[n-]c(CC(=O)NCCc3ccccc3)nc(=O)c12 ZINC000055501770 494353610 /nfs/dbraw/zinc/35/36/10/494353610.db2.gz AICOLOXVCQOALS-UHFFFAOYSA-N -1 3 369.490 3.085 20 0 FGADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]c1ccc(C)cc1Cl ZINC000066575076 494357780 /nfs/dbraw/zinc/35/77/80/494357780.db2.gz AZRNMJLVBOTEPF-UHFFFAOYSA-N -1 3 357.790 3.375 20 0 FGADHM COC(=O)COc1ccc(S(=O)(=O)[N-]c2cccc(C(C)C)c2)cc1 ZINC000055568183 494362855 /nfs/dbraw/zinc/36/28/55/494362855.db2.gz YWHSJMKITHRZHW-UHFFFAOYSA-N -1 3 363.435 3.163 20 0 FGADHM COc1cccc(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)c1[O-] ZINC000078809697 494365259 /nfs/dbraw/zinc/36/52/59/494365259.db2.gz 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ZINC000109278629 494854690 /nfs/dbraw/zinc/85/46/90/494854690.db2.gz NKTGMSINTODRNM-UHFFFAOYSA-N -1 3 371.456 3.430 20 0 FGADHM CN(C)[C@H](CNC(=O)c1ccc(Br)cc1[O-])c1ccsc1 ZINC000109363675 494863945 /nfs/dbraw/zinc/86/39/45/494863945.db2.gz YXMWJSVMGMRGTL-CYBMUJFWSA-N -1 3 369.284 3.249 20 0 FGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)[C@H](C)c1c(F)cccc1F ZINC000093313848 494866376 /nfs/dbraw/zinc/86/63/76/494866376.db2.gz HZKSBXPZIOMAEK-SECBINFHSA-N -1 3 352.337 3.434 20 0 FGADHM C[C@H]1CCCC[C@@H]1c1noc(CC[N-]S(=O)(=O)c2ccccc2F)n1 ZINC000574326082 505747231 /nfs/dbraw/zinc/74/72/31/505747231.db2.gz ABKVDWCMUTUMLA-STQMWFEESA-N -1 3 367.446 3.023 20 0 FGADHM Cc1cc(-c2noc(CS(=O)(=O)[N-]C3CCC(C)CC3)n2)ccc1F ZINC000109557230 494889992 /nfs/dbraw/zinc/88/99/92/494889992.db2.gz LCAQEMOPOGVVHZ-UHFFFAOYSA-N -1 3 367.446 3.182 20 0 FGADHM CC(=O)c1ccc(NC(=O)CCSc2n[n-]c(-c3ccccn3)n2)cc1 ZINC000117113495 494892488 /nfs/dbraw/zinc/89/24/88/494892488.db2.gz OGGHIMKVKVEGTF-UHFFFAOYSA-N -1 3 367.434 3.190 20 0 FGADHM CC(C)[C@@H](Sc1n[n-]c(-c2ccccn2)n1)C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000117114487 494893283 /nfs/dbraw/zinc/89/32/83/494893283.db2.gz PJUFDTWBOUWLAJ-IIAWOOMASA-N -1 3 373.526 3.488 20 0 FGADHM CC(=O)c1ccc(NC(=O)[C@H](C)Sc2n[n-]c(-c3ccccn3)n2)cc1 ZINC000117114882 494893657 /nfs/dbraw/zinc/89/36/57/494893657.db2.gz MFHJVEQRALUCKP-LBPRGKRZSA-N -1 3 367.434 3.189 20 0 FGADHM O=S(=O)([N-]c1ccncc1Br)c1cc(F)ccc1Cl ZINC000127119452 494896534 /nfs/dbraw/zinc/89/65/34/494896534.db2.gz IARBQTYHBCNXFJ-UHFFFAOYSA-N -1 3 365.611 3.437 20 0 FGADHM COc1cccc(CO[C@@H](C)C(=O)Nc2n[n-]c(-c3ccccc3F)n2)c1 ZINC000109624917 494897944 /nfs/dbraw/zinc/89/79/44/494897944.db2.gz MDEDPPYBQPDLCB-LBPRGKRZSA-N -1 3 370.384 3.163 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-]C[C@@H](C)Oc1ccccc1Cl ZINC000121995477 494905793 /nfs/dbraw/zinc/90/57/93/494905793.db2.gz MVKADENEARYOAM-SNVBAGLBSA-N -1 3 361.872 3.156 20 0 FGADHM Cc1ccc(Cn2cccc([N-]S(=O)(=O)c3cccs3)c2=O)cc1 ZINC000132704547 494912081 /nfs/dbraw/zinc/91/20/81/494912081.db2.gz OZTLWPDGEGJOBA-UHFFFAOYSA-N -1 3 360.460 3.067 20 0 FGADHM CC(C)[C@@H](O)CC[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000122046490 494915165 /nfs/dbraw/zinc/91/51/65/494915165.db2.gz HUMQDLJFGCYFCX-NSHDSACASA-N -1 3 359.797 3.044 20 0 FGADHM Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)c2cnc3c(cnn3C)c2[O-])C1 ZINC000132741307 494917240 /nfs/dbraw/zinc/91/72/40/494917240.db2.gz UYEQSBIYFHUPRW-ZIAGYGMSSA-N -1 3 350.422 3.001 20 0 FGADHM CN(C)CCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000093867932 494928350 /nfs/dbraw/zinc/92/83/50/494928350.db2.gz KAJDHQNPVFMMRX-UHFFFAOYSA-N -1 3 360.888 3.143 20 0 FGADHM CCc1ccc([O-])c(C(=O)N[C@@H](c2nccn2C)c2ccc(OC)cc2)c1 ZINC000093910627 494934115 /nfs/dbraw/zinc/93/41/15/494934115.db2.gz LAGCRNBKKXALQR-LJQANCHMSA-N -1 3 365.433 3.216 20 0 FGADHM CCc1cccc(C(=O)Nc2ccc(Sc3nncn3C)cc2)c1[O-] ZINC000093916528 494934929 /nfs/dbraw/zinc/93/49/29/494934929.db2.gz RLPVOQPTCQFSCJ-UHFFFAOYSA-N -1 3 354.435 3.487 20 0 FGADHM O=S(=O)([N-][C@H]1CCN(c2ccc(Cl)c(F)c2)C1)c1cccs1 ZINC000122214905 494941243 /nfs/dbraw/zinc/94/12/43/494941243.db2.gz HILNQFPCADFXII-JTQLQIEISA-N -1 3 360.863 3.098 20 0 FGADHM O=C(CCN1CCC(C(=O)c2ccc([O-])cc2)CC1)Nc1ccc(F)cc1 ZINC000122248890 494946438 /nfs/dbraw/zinc/94/64/38/494946438.db2.gz QHZWDBCLJCRLKD-UHFFFAOYSA-N -1 3 370.424 3.455 20 0 FGADHM COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1C(=O)c1cc(C)ccc1[O-] ZINC000117708169 494947366 /nfs/dbraw/zinc/94/73/66/494947366.db2.gz SWRAVXYRAPAFNA-KRWDZBQOSA-N -1 3 368.433 3.261 20 0 FGADHM O=S(=O)([N-]C1CCN(C2CCCC2)CC1)c1c(F)cccc1Cl ZINC000132977312 494951757 /nfs/dbraw/zinc/95/17/57/494951757.db2.gz ILNYHIBVCVAVAI-UHFFFAOYSA-N -1 3 360.882 3.164 20 0 FGADHM Cc1ccc(-c2nc(CC(=O)Nc3nnc(C(F)(F)F)[n-]3)cs2)cc1 ZINC000127489532 494952316 /nfs/dbraw/zinc/95/23/16/494952316.db2.gz QLDPINHLGVCWLJ-UHFFFAOYSA-N -1 3 367.356 3.437 20 0 FGADHM Cc1ccc(-c2nc(CC(=O)Nc3nc(C(F)(F)F)n[n-]3)cs2)cc1 ZINC000127489532 494952318 /nfs/dbraw/zinc/95/23/18/494952318.db2.gz QLDPINHLGVCWLJ-UHFFFAOYSA-N -1 3 367.356 3.437 20 0 FGADHM CCc1cccc(C(=O)N[C@@H](c2noc(C)n2)c2ccccc2F)c1[O-] ZINC000094150561 494955067 /nfs/dbraw/zinc/95/50/67/494955067.db2.gz YLPUIBRWKQLNBT-MRXNPFEDSA-N -1 3 355.369 3.305 20 0 FGADHM COc1ccc(NC(=O)c2c[n-]nc2-c2cccc(Cl)c2)cc1CO ZINC000133010031 494956153 /nfs/dbraw/zinc/95/61/53/494956153.db2.gz CWAYLGADZJQDNQ-UHFFFAOYSA-N -1 3 357.797 3.483 20 0 FGADHM C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)c1ccccc1[O-] ZINC000110241142 494960442 /nfs/dbraw/zinc/96/04/42/494960442.db2.gz DKULBXBJRYVGLE-HNNXBMFYSA-N -1 3 367.449 3.140 20 0 FGADHM CCCCN1CCCC[C@H]1C[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000110266465 494963285 /nfs/dbraw/zinc/96/32/85/494963285.db2.gz YNQMYRDVITZYNN-LBPRGKRZSA-N -1 3 364.433 3.037 20 0 FGADHM Cn1[n-]c(=NC(=O)NC[C@@H]2[C@@H](c3ccccc3)C2(C)C)cc1OC(F)F ZINC000580405297 505752234 /nfs/dbraw/zinc/75/22/34/505752234.db2.gz NPDBEJLHBPPWLO-IUODEOHRSA-N -1 3 364.396 3.005 20 0 FGADHM Cc1cc(C(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)sc1C ZINC000133077700 494965709 /nfs/dbraw/zinc/96/57/09/494965709.db2.gz XHZIZUCHLYVKOT-UHFFFAOYSA-N -1 3 368.455 3.197 20 0 FGADHM Cc1cc(S(=O)(=O)[N-][C@H](C2CC2)C(F)(F)F)ccc1OC(C)C ZINC000568687750 505752713 /nfs/dbraw/zinc/75/27/13/505752713.db2.gz IKTPTFQOVVVDIF-CQSZACIVSA-N -1 3 351.390 3.401 20 0 FGADHM CC(C)(CO)[C@@H](CNC(=O)NCc1ccc([O-])c(F)c1)c1ccccc1 ZINC000122464428 494979855 /nfs/dbraw/zinc/97/98/55/494979855.db2.gz DEKCLYDKMWYZDC-INIZCTEOSA-N -1 3 360.429 3.133 20 0 FGADHM COC[C@H](NC(=O)c1ccc2n[n-]nc2c1)c1cccc(C(F)(F)F)c1 ZINC000118348803 494996330 /nfs/dbraw/zinc/99/63/30/494996330.db2.gz XJNLESYXOPJUON-HNNXBMFYSA-N -1 3 364.327 3.094 20 0 FGADHM Cn1cc(Br)c(=NC(=O)C2(c3cccc(F)c3)CCCC2)[n-]1 ZINC000571525417 505754620 /nfs/dbraw/zinc/75/46/20/505754620.db2.gz LWMWZFMNSZWVBU-UHFFFAOYSA-N -1 3 366.234 3.194 20 0 FGADHM Cc1nc(C)c(CCC(=O)NC(c2cccs2)c2cccs2)c(=O)[n-]1 ZINC000122588450 494998925 /nfs/dbraw/zinc/99/89/25/494998925.db2.gz LRKSWGUEOQJHTQ-UHFFFAOYSA-N -1 3 373.503 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495034383 /nfs/dbraw/zinc/03/43/83/495034383.db2.gz DKHKHIRVJXKMQR-UHFFFAOYSA-N -1 3 374.437 3.430 20 0 FGADHM C[C@@]1(F)CCCN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1 ZINC000574371003 505757017 /nfs/dbraw/zinc/75/70/17/505757017.db2.gz JYNKMJRDPAOYMD-MRXNPFEDSA-N -1 3 367.218 3.255 20 0 FGADHM CCN(CC)[C@@H](C[N-]S(=O)(=O)Cc1c(F)cccc1F)c1ccco1 ZINC000122849088 495040397 /nfs/dbraw/zinc/04/03/97/495040397.db2.gz GDVIGVBUHOAGLO-INIZCTEOSA-N -1 3 372.437 3.060 20 0 FGADHM CS(=O)(=O)[N-]c1cc(C(=O)N2CCCC3(CCCCC3)C2)ccc1F ZINC000111159741 495045807 /nfs/dbraw/zinc/04/58/07/495045807.db2.gz KXGCMJXSRFWUOR-UHFFFAOYSA-N -1 3 368.474 3.384 20 0 FGADHM Cc1ncc(C[N-]S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)s1 ZINC000098039086 495050731 /nfs/dbraw/zinc/05/07/31/495050731.db2.gz HVMQHNOMVDIONZ-UHFFFAOYSA-N -1 3 368.814 3.185 20 0 FGADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000122951446 495058300 /nfs/dbraw/zinc/05/83/00/495058300.db2.gz OBBXJOCRLZKQHF-OAHLLOKOSA-N -1 3 362.451 3.406 20 0 FGADHM O=C(Nc1cccc([O-])c1F)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000128257355 495069023 /nfs/dbraw/zinc/06/90/23/495069023.db2.gz NPKHMOOGCDRTSB-CYBMUJFWSA-N -1 3 357.385 3.414 20 0 FGADHM COc1cc(C)c([C@@H](C)[N-]S(=O)(=O)c2cccc(F)c2F)cc1OC ZINC000101571919 495080716 /nfs/dbraw/zinc/08/07/16/495080716.db2.gz WYULFFJVLUKGMS-LLVKDONJSA-N -1 3 371.405 3.330 20 0 FGADHM Cc1nc(C)c(CCC(=O)N2C[C@@H]3CCCC[C@]32c2ccccc2)c(=O)[n-]1 ZINC000119074810 495086312 /nfs/dbraw/zinc/08/63/12/495086312.db2.gz OVQIJGYSAJZPTC-AVRDEDQJSA-N -1 3 365.477 3.247 20 0 FGADHM O=C([N-]c1ccncc1F)c1ccc(S(=O)(=O)c2ccccc2)s1 ZINC000123204997 495096708 /nfs/dbraw/zinc/09/67/08/495096708.db2.gz DKDIVLIGJGXLGZ-UHFFFAOYSA-N -1 3 362.407 3.367 20 0 FGADHM Cc1ccc(-c2ccncc2)cc1NC(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000101847810 495102729 /nfs/dbraw/zinc/10/27/29/495102729.db2.gz QZIAQEBMZMMHTB-UHFFFAOYSA-N -1 3 362.433 3.328 20 0 FGADHM CC(C)c1cc(C(=O)N2CCS(=O)(=O)[C@@H](C)[C@H]2C)c([O-])c(C(C)C)c1 ZINC000128529863 495111676 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353.426 3.340 20 0 FGADHM CC(C)(CO)[C@@H](C[N-]S(=O)(=O)c1cc(F)cc(F)c1)c1ccccc1 ZINC000129356132 495232865 /nfs/dbraw/zinc/23/28/65/495232865.db2.gz RBBMCYGZYHGXJE-KRWDZBQOSA-N -1 3 369.433 3.045 20 0 FGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)CCCCC(=O)c1ccccc1 ZINC000112863149 495249053 /nfs/dbraw/zinc/24/90/53/495249053.db2.gz QVHYYSXLKJPBFD-UHFFFAOYSA-N -1 3 374.462 3.440 20 0 FGADHM CCc1cc(=O)[n-]c(CN2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)n1 ZINC000119835919 495251677 /nfs/dbraw/zinc/25/16/77/495251677.db2.gz XIRSNVWDKRRTCZ-OAHLLOKOSA-N -1 3 351.809 3.111 20 0 FGADHM CCOc1ccc(S(=O)(=O)[N-]c2ncccc2Br)cc1 ZINC000135235397 495266665 /nfs/dbraw/zinc/26/66/65/495266665.db2.gz PBASJLHZILJIKO-UHFFFAOYSA-N -1 3 357.229 3.044 20 0 FGADHM CCOCC(C)(C)C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000577654150 505771312 /nfs/dbraw/zinc/77/13/12/505771312.db2.gz KSAZUHMFXZHCJP-UHFFFAOYSA-N -1 3 357.369 3.186 20 0 FGADHM CCOC(=O)c1ccc(NC(=O)c2ccc(C(F)(F)F)nc2)c([O-])c1 ZINC000129591222 495267029 /nfs/dbraw/zinc/26/70/29/495267029.db2.gz LZLHJENRLXVWKN-UHFFFAOYSA-N -1 3 354.284 3.235 20 0 FGADHM CSCC[C@@H](NC(=O)c1ccccc1)C(=O)Nc1ccc([O-])cc1F ZINC000124337068 495272518 /nfs/dbraw/zinc/27/25/18/495272518.db2.gz OWSHUSYNBOHSLS-MRXNPFEDSA-N -1 3 362.426 3.022 20 0 FGADHM Cc1ccc([O-])c(C(=O)NCc2cccc(NC(=O)N3CCCC3)c2)c1 ZINC000124369515 495276798 /nfs/dbraw/zinc/27/67/98/495276798.db2.gz YRXORYWMJNPFFS-UHFFFAOYSA-N -1 3 353.422 3.258 20 0 FGADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)C3=CCCCCC3)c2)[n-]1 ZINC000580504334 505773445 /nfs/dbraw/zinc/77/34/45/505773445.db2.gz SOIBMDHQNMLIOF-UHFFFAOYSA-N -1 3 368.437 3.155 20 0 FGADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)C3=CCCCCC3)c2)n[n-]1 ZINC000580504334 505773449 /nfs/dbraw/zinc/77/34/49/505773449.db2.gz SOIBMDHQNMLIOF-UHFFFAOYSA-N -1 3 368.437 3.155 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)NCCc2nc(C(C)(C)C)cs2)c1 ZINC000104928492 495316378 /nfs/dbraw/zinc/31/63/78/495316378.db2.gz XDMQEZDXHVOFAT-UHFFFAOYSA-N -1 3 361.467 3.077 20 0 FGADHM Cc1cccc(-c2ccc(CNC(=O)Cc3c(C)nc(C)[n-]c3=O)cc2)c1 ZINC000135614014 495318457 /nfs/dbraw/zinc/31/84/57/495318457.db2.gz CDRWQECXSNBZPO-UHFFFAOYSA-N -1 3 361.445 3.221 20 0 FGADHM COc1ccc([C@H]2[C@H](C(=O)Nc3ccc([O-])cc3F)CCC(=O)N2C)cc1 ZINC000124647649 495321825 /nfs/dbraw/zinc/32/18/25/495321825.db2.gz CBZPNUCFXHANBB-BEFAXECRSA-N -1 3 372.396 3.088 20 0 FGADHM Cc1cc(F)c(S(=O)(=O)[N-]C[C@@H](C[C@@H](C)O)c2ccccc2)cc1F ZINC000124716505 495331569 /nfs/dbraw/zinc/33/15/69/495331569.db2.gz ABSXLHBSZWAYBS-UKRRQHHQSA-N -1 3 369.433 3.106 20 0 FGADHM O=C(NCCCO[C@@H]1CCCc2ccccc21)c1ccc2n[n-]nc2c1 ZINC000113906228 495335436 /nfs/dbraw/zinc/33/54/36/495335436.db2.gz XCOWZMWIBOTDOA-LJQANCHMSA-N -1 3 350.422 3.172 20 0 FGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(NC(=O)N[C@H]2C=CCCC2)ccc1F ZINC000135977485 495347588 /nfs/dbraw/zinc/34/75/88/495347588.db2.gz AAEXYZXVFFTLFG-LBPRGKRZSA-N -1 3 369.462 3.133 20 0 FGADHM Cc1ccc(Br)cc1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000124815670 495348284 /nfs/dbraw/zinc/34/82/84/495348284.db2.gz GVUAXGXVZVBIHN-UHFFFAOYSA-N -1 3 358.199 3.190 20 0 FGADHM Cc1ccc(Br)cc1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000124815670 495348286 /nfs/dbraw/zinc/34/82/86/495348286.db2.gz GVUAXGXVZVBIHN-UHFFFAOYSA-N -1 3 358.199 3.190 20 0 FGADHM O=C(Cc1ccc([O-])cc1Cl)NC[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000136209318 495364366 /nfs/dbraw/zinc/36/43/66/495364366.db2.gz UIVVWASVMDNBTH-CYBMUJFWSA-N -1 3 362.832 3.370 20 0 FGADHM C[C@@H](COc1ccc(F)cc1F)NC(=O)Cc1ccc([O-])cc1Cl ZINC000136205941 495364587 /nfs/dbraw/zinc/36/45/87/495364587.db2.gz WACCIXZUWSFHAQ-JTQLQIEISA-N -1 3 355.768 3.450 20 0 FGADHM CC(C)(c1nnc([N-]C(=O)c2cn(CC3CC3)nn2)s1)c1ccccc1 ZINC000580521212 505777499 /nfs/dbraw/zinc/77/74/99/505777499.db2.gz QKULPJPUDMUMDW-UHFFFAOYSA-N -1 3 368.466 3.118 20 0 FGADHM CC[C@@H](O)[C@@H]1CCCCN1Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000114459155 495376834 /nfs/dbraw/zinc/37/68/34/495376834.db2.gz ZTIIGTYBRCGIKY-UONOGXRCSA-N -1 3 373.478 3.370 20 0 FGADHM CSCC[C@H](NC(=O)c1cccc(C)c1)C(=O)Nc1ccccc1[O-] ZINC000120451637 495382344 /nfs/dbraw/zinc/38/23/44/495382344.db2.gz PNOQJZRSEOCBNN-INIZCTEOSA-N -1 3 358.463 3.191 20 0 FGADHM COC1(CNC(=O)c2ccc(C(=O)c3cccc([O-])c3)cc2)CCCC1 ZINC000571632004 505778275 /nfs/dbraw/zinc/77/82/75/505778275.db2.gz PLICFGHHVOEQBX-UHFFFAOYSA-N -1 3 353.418 3.312 20 0 FGADHM C[C@H](CC1CCCCC1)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000114537249 495390516 /nfs/dbraw/zinc/39/05/16/495390516.db2.gz WRPBUAWGUMZHCO-MRXNPFEDSA-N -1 3 358.482 3.283 20 0 FGADHM CS(=O)(=O)c1csc(C(=O)[N-]c2nc(-c3ccco3)cs2)c1 ZINC000130452945 495394115 /nfs/dbraw/zinc/39/41/15/495394115.db2.gz UYBOWPVVAPZHAU-UHFFFAOYSA-N -1 3 354.434 3.120 20 0 FGADHM CC(C)Cc1nnc([N-]C(=O)c2cccc(OCC(F)(F)F)n2)s1 ZINC000130517047 495404362 /nfs/dbraw/zinc/40/43/62/495404362.db2.gz IDIBBCAJLDMUIJ-UHFFFAOYSA-N -1 3 360.361 3.325 20 0 FGADHM Cc1onc(-c2ccncc2)c1C(=O)[N-]c1n[nH]c(-c2ccccc2F)n1 ZINC000120569099 495407301 /nfs/dbraw/zinc/40/73/01/495407301.db2.gz SQPJXWNGGAIUFK-UHFFFAOYSA-N -1 3 364.340 3.222 20 0 FGADHM COc1ccc(CCCCC(=O)Nc2ccc(Cc3nnn[n-]3)cc2)cc1 ZINC000120594567 495413628 /nfs/dbraw/zinc/41/36/28/495413628.db2.gz QXIFIFYAKDXDQQ-UHFFFAOYSA-N -1 3 365.437 3.151 20 0 FGADHM COc1ccc(CCCCC(=O)Nc2ccc(Cc3nn[n-]n3)cc2)cc1 ZINC000120594567 495413632 /nfs/dbraw/zinc/41/36/32/495413632.db2.gz QXIFIFYAKDXDQQ-UHFFFAOYSA-N -1 3 365.437 3.151 20 0 FGADHM Cc1cccc(C(=O)NC2CCN(Cc3ccc(F)c(F)c3)CC2)c1[O-] ZINC000130661515 495427051 /nfs/dbraw/zinc/42/70/51/495427051.db2.gz WLMOBZOHGLWDJR-UHFFFAOYSA-N -1 3 360.404 3.373 20 0 FGADHM Cc1cccc(NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)c1Cl ZINC000137688697 495448959 /nfs/dbraw/zinc/44/89/59/495448959.db2.gz CEEKBNZKYAFUNL-UHFFFAOYSA-N -1 3 373.840 3.344 20 0 FGADHM Cc1nc(-c2cnn(C)c2)sc1C(=O)[N-]c1nnc(CC(C)C)s1 ZINC000115001649 495450258 /nfs/dbraw/zinc/45/02/58/495450258.db2.gz FSYIWJMJQZTXDH-UHFFFAOYSA-N -1 3 362.484 3.154 20 0 FGADHM CC1(C)Cc2ccc(C(=O)N3CCN(c4cccs4)CC3)c([O-])c2O1 ZINC000137799607 495451042 /nfs/dbraw/zinc/45/10/42/495451042.db2.gz WMVCBFOGKPVMLL-UHFFFAOYSA-N -1 3 358.463 3.130 20 0 FGADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N[C@H]1CCC[C@H]1Cc1ccccc1 ZINC000120756179 495451492 /nfs/dbraw/zinc/45/14/92/495451492.db2.gz WLRAPDGUTOGAEL-KSSFIOAISA-N -1 3 363.417 3.103 20 0 FGADHM Cc1cnn(Cc2cc(C(=O)Nc3cc(C(F)(F)F)ccc3[O-])no2)c1 ZINC000130892261 495462672 /nfs/dbraw/zinc/46/26/72/495462672.db2.gz FFNTUQNCLROLOS-UHFFFAOYSA-N -1 3 366.299 3.205 20 0 FGADHM CCc1cc(=O)[n-]c(CS[C@@H](C)C(=O)Nc2cc(F)ccc2F)n1 ZINC000125643869 495475342 /nfs/dbraw/zinc/47/53/42/495475342.db2.gz MNJXPMFARDCMAR-VIFPVBQESA-N -1 3 353.394 3.283 20 0 FGADHM CCc1cc(=O)[n-]c(CSCC(=O)N2CCC[C@@H]2c2cccs2)n1 ZINC000125683045 495481964 /nfs/dbraw/zinc/48/19/64/495481964.db2.gz ISFAATHDOAIZJD-CYBMUJFWSA-N -1 3 363.508 3.403 20 0 FGADHM CCC(=O)c1cccc(NC(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)c1 ZINC000120908491 495483003 /nfs/dbraw/zinc/48/30/03/495483003.db2.gz QNQWVLUMRWHXQD-UHFFFAOYSA-N -1 3 364.398 3.042 20 0 FGADHM O=C(NC[C@@H]1CCCO[C@@H]1c1ccccc1)c1cc(=O)c2ccccc2[n-]1 ZINC000140296757 495492963 /nfs/dbraw/zinc/49/29/63/495492963.db2.gz IBZKIAGYSNNXBL-HRAATJIYSA-N -1 3 362.429 3.426 20 0 FGADHM O=C(c1c([O-])cccc1O)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000125785220 495498720 /nfs/dbraw/zinc/49/87/20/495498720.db2.gz WTWLMCNTOYWRNW-GOSISDBHSA-N -1 3 361.825 3.337 20 0 FGADHM Cc1ccc(C[C@@H](NC(=O)c2ccc3n[n-]nc3c2)c2ccccn2)cc1 ZINC000115480515 495508842 /nfs/dbraw/zinc/50/88/42/495508842.db2.gz FPXLBABWSCPWMZ-LJQANCHMSA-N -1 3 357.417 3.375 20 0 FGADHM Cc1csc([C@@H]([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)C2CC2)n1 ZINC000173464825 495542253 /nfs/dbraw/zinc/54/22/53/495542253.db2.gz RWMMNPJOMCFUCT-BZNIZROVSA-N -1 3 364.492 3.205 20 0 FGADHM C[C@H](c1ccc([S@@](C)=O)cc1)N(C)Cc1cc(=O)oc2cc([O-])ccc12 ZINC000182387679 495543299 /nfs/dbraw/zinc/54/32/99/495543299.db2.gz SFIITSIXZWYEQJ-ZBSNKRKSSA-N -1 3 371.458 3.429 20 0 FGADHM CC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])c1nc(C)cs1 ZINC000182388034 495544326 /nfs/dbraw/zinc/54/43/26/495544326.db2.gz RJNCLZGFLDJBPQ-CABCVRRESA-N -1 3 373.478 3.029 20 0 FGADHM COc1ccc([C@@H](CCO)NCc2cc(=O)oc3c(C)c([O-])ccc23)cc1 ZINC000182395213 495546948 /nfs/dbraw/zinc/54/69/48/495546948.db2.gz DJEOAKHYSAFDRK-GOSISDBHSA-N -1 3 369.417 3.029 20 0 FGADHM O=S(=O)([N-]C[C@H]1CCCO[C@@H]1c1ccccc1)c1cc(F)cc(F)c1 ZINC000146317646 495564373 /nfs/dbraw/zinc/56/43/73/495564373.db2.gz UKGAVWHIKCCQOO-RDTXWAMCSA-N -1 3 367.417 3.411 20 0 FGADHM COCCn1c(NC(=O)c2cc(-c3ccc(C)o3)[n-]n2)nc2ccccc21 ZINC000185429539 495573237 /nfs/dbraw/zinc/57/32/37/495573237.db2.gz MDTKZUUSIKOQBZ-UHFFFAOYSA-N -1 3 365.393 3.227 20 0 FGADHM COCCn1c(NC(=O)c2cc(-c3ccc(C)o3)n[n-]2)nc2ccccc21 ZINC000185429539 495573245 /nfs/dbraw/zinc/57/32/45/495573245.db2.gz MDTKZUUSIKOQBZ-UHFFFAOYSA-N -1 3 365.393 3.227 20 0 FGADHM COc1ccc([C@@H]2CCCN2C(=O)/C=C/c2cncc([O-])c2)c(OC)c1 ZINC000179399162 495576476 /nfs/dbraw/zinc/57/64/76/495576476.db2.gz XTCKXGBQYMBXIT-MOTZXUDYSA-N -1 3 354.406 3.181 20 0 FGADHM COCc1c(C(=O)[N-]c2nnc(C(F)F)s2)cnn1-c1ccccc1 ZINC000185488413 495595118 /nfs/dbraw/zinc/59/51/18/495595118.db2.gz WRQLTZOGZGUHLO-UHFFFAOYSA-N -1 3 365.365 3.060 20 0 FGADHM C[C@H](N(C)C(=O)Cc1csc(NC(=O)c2cccc([O-])c2)n1)C1(C)CC1 ZINC000176331492 495603757 /nfs/dbraw/zinc/60/37/57/495603757.db2.gz VVPLWKVLMFOJHC-LBPRGKRZSA-N -1 3 373.478 3.291 20 0 FGADHM COC(=O)c1cccc(S(=O)(=O)[N-]c2c(F)cccc2NC(C)C)c1 ZINC000158872437 495606461 /nfs/dbraw/zinc/60/64/61/495606461.db2.gz LCIQPYFJHSFYDI-UHFFFAOYSA-N -1 3 366.414 3.233 20 0 FGADHM O=C(NCCCCOc1ccc(F)cc1)c1c[n-]nc1-c1ccccn1 ZINC000577785233 505792256 /nfs/dbraw/zinc/79/22/56/505792256.db2.gz CEBYCPGHVYBMEW-UHFFFAOYSA-N -1 3 354.385 3.200 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)Nc2ccc3scnc3c2)c([O-])c1 ZINC000170830645 495619928 /nfs/dbraw/zinc/61/99/28/495619928.db2.gz XUKQQKKSHFPZTM-UHFFFAOYSA-N -1 3 355.419 3.069 20 0 FGADHM O=C(c1ccc(O)cc1[O-])N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000179508132 495621496 /nfs/dbraw/zinc/62/14/96/495621496.db2.gz GLQUFWGHARJUJO-SFHVURJKSA-N -1 3 361.825 3.337 20 0 FGADHM CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)CCc2c(C)nc(C)[n-]c2=O)o1 ZINC000173636575 495625976 /nfs/dbraw/zinc/62/59/76/495625976.db2.gz NJRWETNVKWSCFO-UGSOOPFHSA-N -1 3 371.481 3.475 20 0 FGADHM CCc1cc(=O)[n-]c(CN(CC(=O)Nc2ccc(F)cc2)C(C)(C)C)n1 ZINC000154486940 495631344 /nfs/dbraw/zinc/63/13/44/495631344.db2.gz UVBANDOPZQREPA-UHFFFAOYSA-N -1 3 360.433 3.123 20 0 FGADHM Cc1cc(Cl)cc(NC(=O)[C@@H]2CCCN(C(=O)c3ccncc3)C2)c1[O-] ZINC000173647429 495632385 /nfs/dbraw/zinc/63/23/85/495632385.db2.gz YUWFZFPAJZDXRT-CQSZACIVSA-N -1 3 373.840 3.240 20 0 FGADHM O=S(=O)(Cc1c(F)cccc1F)[N-][C@H](c1ccccc1)[C@@H]1CCCO1 ZINC000179541757 495634062 /nfs/dbraw/zinc/63/40/62/495634062.db2.gz ITJNDCPQWHAXIW-ZWKOTPCHSA-N -1 3 367.417 3.305 20 0 FGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)c2cnc3ccc(F)cc3c2)c1 ZINC000179564323 495642427 /nfs/dbraw/zinc/64/24/27/495642427.db2.gz RDIGPIJSTTVPBI-UHFFFAOYSA-N -1 3 373.409 3.306 20 0 FGADHM CS(=O)(=O)[N-]c1cc(NC(=O)c2ccc(Cl)c(F)c2)ccc1F ZINC000179565075 495643097 /nfs/dbraw/zinc/64/30/97/495643097.db2.gz VPMJZWLJYSJOJQ-UHFFFAOYSA-N -1 3 360.769 3.242 20 0 FGADHM Cc1c(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])cccc1N(C)C ZINC000182638062 495646131 /nfs/dbraw/zinc/64/61/31/495646131.db2.gz ZMNMKJGNKIGZBR-GOSISDBHSA-N -1 3 367.449 3.010 20 0 FGADHM O=C(Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)c1cccc2[nH]ccc21 ZINC000176423054 495646148 /nfs/dbraw/zinc/64/61/48/495646148.db2.gz KZAWYBYTRRVGIQ-UHFFFAOYSA-N -1 3 373.409 3.000 20 0 FGADHM O=C(c1ccc2c(c1)C(=O)[N-]C2=O)N1CCC[C@H]1Cc1ccccc1Cl ZINC000170904043 495648468 /nfs/dbraw/zinc/64/84/68/495648468.db2.gz IPBPQQYAYKADBK-AWEZNQCLSA-N -1 3 368.820 3.071 20 0 FGADHM Cc1nn(CC(=O)Nc2cc(Br)ccc2[O-])c(C)c1Cl ZINC000176432656 495649902 /nfs/dbraw/zinc/64/99/02/495649902.db2.gz UANRJAFCAXMNNO-UHFFFAOYSA-N -1 3 358.623 3.260 20 0 FGADHM Cc1ccc(NC(=O)C(C)(C)C)cc1[N-]S(=O)(=O)CCOC(C)C ZINC000176469584 495661657 /nfs/dbraw/zinc/66/16/57/495661657.db2.gz PYWYOYSBUUOSHW-UHFFFAOYSA-N -1 3 356.488 3.146 20 0 FGADHM CC(C)NC(=O)CSc1ccccc1C(=O)Nc1cc(F)ccc1[O-] ZINC000179649768 495676503 /nfs/dbraw/zinc/67/65/03/495676503.db2.gz VFKZHBMZQPZQCU-UHFFFAOYSA-N -1 3 362.426 3.400 20 0 FGADHM COc1cccc([C@@H](C)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)c1 ZINC000182733332 495681843 /nfs/dbraw/zinc/68/18/43/495681843.db2.gz POUBKWCADAUYLL-GFCCVEGCSA-N -1 3 350.440 3.248 20 0 FGADHM CN1C(=O)c2cc(Br)ccc2N[C@H]1c1ccc([O-])c(F)c1 ZINC000159222282 495686192 /nfs/dbraw/zinc/68/61/92/495686192.db2.gz LMROQUWMPKXKLA-CQSZACIVSA-N -1 3 351.175 3.490 20 0 FGADHM CC(C)Oc1cccnc1C(=O)[N-]c1ncn(Cc2ccc(Cl)cc2)n1 ZINC000176536799 495688559 /nfs/dbraw/zinc/68/85/59/495688559.db2.gz PODSUYOIFPOABC-UHFFFAOYSA-N -1 3 371.828 3.414 20 0 FGADHM Cc1nc(-c2ccccc2)ccc1C(=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000171024726 495694663 /nfs/dbraw/zinc/69/46/63/495694663.db2.gz IMAVLMRDKFXDLY-UHFFFAOYSA-N -1 3 356.389 3.489 20 0 FGADHM Cc1nc(-c2ccccc2)ccc1C(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000171024726 495694668 /nfs/dbraw/zinc/69/46/68/495694668.db2.gz IMAVLMRDKFXDLY-UHFFFAOYSA-N -1 3 356.389 3.489 20 0 FGADHM Cc1nc(-c2ccccc2)ccc1C(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000171024726 495694673 /nfs/dbraw/zinc/69/46/73/495694673.db2.gz IMAVLMRDKFXDLY-UHFFFAOYSA-N -1 3 356.389 3.489 20 0 FGADHM O=C(NCCCO[C@H]1CCCc2ccccc21)c1cccc2nn[n-]c21 ZINC000182772174 495696892 /nfs/dbraw/zinc/69/68/92/495696892.db2.gz OADQEPJOCZPUKP-SFHVURJKSA-N -1 3 350.422 3.172 20 0 FGADHM O=C(NCCCO[C@H]1CCCc2ccccc21)c1cccc2[n-]nnc21 ZINC000182772174 495696897 /nfs/dbraw/zinc/69/68/97/495696897.db2.gz OADQEPJOCZPUKP-SFHVURJKSA-N -1 3 350.422 3.172 20 0 FGADHM O=C(NCCCO[C@H]1CCCc2ccccc21)c1cccc2n[n-]nc21 ZINC000182772174 495696900 /nfs/dbraw/zinc/69/69/00/495696900.db2.gz OADQEPJOCZPUKP-SFHVURJKSA-N -1 3 350.422 3.172 20 0 FGADHM O=C([O-])[C@H](c1cccc(Br)c1)N1CCC[C@]2(CCCOC2)C1 ZINC000568874531 505798305 /nfs/dbraw/zinc/79/83/05/505798305.db2.gz VYOFAEAWYAUADU-RDJZCZTQSA-N -1 3 368.271 3.467 20 0 FGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]C[C@@H]3C[C@H](C)O[C@H]3C)s2)cs1 ZINC000574545829 505798494 /nfs/dbraw/zinc/79/84/94/505798494.db2.gz XYTYWTYXZKUPGZ-NHCYSSNCSA-N -1 3 372.537 3.272 20 0 FGADHM O=C(c1ccc2c(c1[O-])CCCC2)N1CCC(C(=O)C(F)(F)F)CC1 ZINC000185738611 495705102 /nfs/dbraw/zinc/70/51/02/495705102.db2.gz TVNYHTIKPJMYKC-UHFFFAOYSA-N -1 3 355.356 3.255 20 0 FGADHM CC(C)OCCCC(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000182817450 495715029 /nfs/dbraw/zinc/71/50/29/495715029.db2.gz GDCKDYVRVWPIQV-UHFFFAOYSA-N -1 3 374.478 3.046 20 0 FGADHM CN(C[C@H]1CCC[C@@H]1O)C(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000154749073 495716277 /nfs/dbraw/zinc/71/62/77/495716277.db2.gz UCIAYLOTHPLZOL-APWZRJJASA-N -1 3 355.434 3.204 20 0 FGADHM CN(C[C@H]1CCC[C@H]1O)C(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000154749292 495716456 /nfs/dbraw/zinc/71/64/56/495716456.db2.gz UCIAYLOTHPLZOL-VQIMIIECSA-N -1 3 355.434 3.204 20 0 FGADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)Nc1ccccn1 ZINC000182899081 495748393 /nfs/dbraw/zinc/74/83/93/495748393.db2.gz RLNKPZJSDKWBGO-GOSISDBHSA-N -1 3 361.401 3.287 20 0 FGADHM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]C(C)(C)C(C)C ZINC000577837430 505801517 /nfs/dbraw/zinc/80/15/17/505801517.db2.gz VZSGCBHPSZWKFH-GFCCVEGCSA-N -1 3 363.907 3.467 20 0 FGADHM Cc1cccc(OCCC(=O)Nc2cc(C)ccc2[N-]S(C)(=O)=O)c1 ZINC000173979450 495773047 /nfs/dbraw/zinc/77/30/47/495773047.db2.gz FDDOLWYVSUKJIE-UHFFFAOYSA-N -1 3 362.451 3.083 20 0 FGADHM Cc1ccc(-c2nc3cc(F)ccc3n2C)cc1NC(=O)c1cnn[n-]1 ZINC000151214586 495773333 /nfs/dbraw/zinc/77/33/33/495773333.db2.gz UKEAJAQGCQZXPD-UHFFFAOYSA-N -1 3 350.357 3.058 20 0 FGADHM Cc1ccc(-c2nc3cc(F)ccc3n2C)cc1NC(=O)c1c[n-]nn1 ZINC000151214586 495773338 /nfs/dbraw/zinc/77/33/38/495773338.db2.gz UKEAJAQGCQZXPD-UHFFFAOYSA-N -1 3 350.357 3.058 20 0 FGADHM Cc1ccc(-c2nc3cc(F)ccc3n2C)cc1NC(=O)c1cn[n-]n1 ZINC000151214586 495773345 /nfs/dbraw/zinc/77/33/45/495773345.db2.gz UKEAJAQGCQZXPD-UHFFFAOYSA-N -1 3 350.357 3.058 20 0 FGADHM Cc1ccc(O[C@H](C)C(=O)Nc2cc(C)ccc2[N-]S(C)(=O)=O)cc1 ZINC000173981457 495774028 /nfs/dbraw/zinc/77/40/28/495774028.db2.gz BFQPLQKDWOUHTK-CQSZACIVSA-N -1 3 362.451 3.081 20 0 FGADHM CC(C)Cn1cnc(S(=O)(=O)[N-][C@H](C)c2cccc(OC(F)F)c2)c1 ZINC000174003417 495783385 /nfs/dbraw/zinc/78/33/85/495783385.db2.gz MWIHNLTYNPNIGO-GFCCVEGCSA-N -1 3 373.425 3.180 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)NC[C@H](C)Oc3ccc(F)cc3)c[n-]c12 ZINC000154967073 495787957 /nfs/dbraw/zinc/78/79/57/495787957.db2.gz ZSDPCNOZVZGFOM-LBPRGKRZSA-N -1 3 372.371 3.312 20 0 FGADHM Cc1ccc(C(C)(C)C(=O)Nc2ccc(F)c([N-]S(C)(=O)=O)c2)cc1 ZINC000171273855 495799961 /nfs/dbraw/zinc/79/99/61/495799961.db2.gz DLSBLNIBVQPCTO-UHFFFAOYSA-N -1 3 364.442 3.422 20 0 FGADHM O=C(CCCc1nc2ccccc2[nH]1)Nc1n[n-]c(-c2ccccc2F)n1 ZINC000171283057 495803458 /nfs/dbraw/zinc/80/34/58/495803458.db2.gz YBJXYRZFYLQKEZ-UHFFFAOYSA-N -1 3 364.384 3.449 20 0 FGADHM O=C(c1ccc2c(c1[O-])CCCC2)N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000183059892 495818719 /nfs/dbraw/zinc/81/87/19/495818719.db2.gz MNJNAWZJFCBPEP-SFHVURJKSA-N -1 3 373.493 3.461 20 0 FGADHM Cc1nc(C)c(S(=O)(=O)[N-][C@H](c2ccccc2)c2cccnc2)s1 ZINC000176913789 495839112 /nfs/dbraw/zinc/83/91/12/495839112.db2.gz ZZYLWSSFHYRWON-MRXNPFEDSA-N -1 3 359.476 3.223 20 0 FGADHM CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2ccc(F)cc2F)c1 ZINC000180065407 495842943 /nfs/dbraw/zinc/84/29/43/495842943.db2.gz FDIQGPQFPHHRJW-UHFFFAOYSA-N -1 3 359.325 3.081 20 0 FGADHM O=C(N=c1cc2ccccn2[n-]1)NCCCc1c[nH]c2ccc(F)cc12 ZINC000568916974 505807553 /nfs/dbraw/zinc/80/75/53/505807553.db2.gz XEADBLVMHPMYRK-UHFFFAOYSA-N -1 3 351.385 3.131 20 0 FGADHM O=C(NCc1ccc([O-])c(Br)c1)c1cccc(-n2ccnc2)c1 ZINC000151524316 495867054 /nfs/dbraw/zinc/86/70/54/495867054.db2.gz CMTNAWFBHCMSRR-UHFFFAOYSA-N -1 3 372.222 3.270 20 0 FGADHM O=S(=O)([N-]Cc1ccccc1-n1cccn1)c1cc(F)ccc1Cl ZINC000171423443 495868011 /nfs/dbraw/zinc/86/80/11/495868011.db2.gz 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O=c1cc(C(F)(F)F)nc(C[S@](=O)Cc2ccc(Cl)cc2)[n-]1 ZINC000155278712 495902585 /nfs/dbraw/zinc/90/25/85/495902585.db2.gz VYAZGUZVVLUVOQ-QFIPXVFZSA-N -1 3 350.749 3.303 20 0 FGADHM Cc1c2ccc3ccccc3c2oc1C(=O)Nc1nnc(SCCO)[n-]1 ZINC000155300121 495910771 /nfs/dbraw/zinc/91/07/71/495910771.db2.gz LUDFRAWSIIEKJS-UHFFFAOYSA-N -1 3 368.418 3.349 20 0 FGADHM Cc1c2ccc3ccccc3c2oc1C(=O)Nc1nc(SCCO)n[n-]1 ZINC000155300121 495910778 /nfs/dbraw/zinc/91/07/78/495910778.db2.gz LUDFRAWSIIEKJS-UHFFFAOYSA-N -1 3 368.418 3.349 20 0 FGADHM Cc1c2ccc3ccccc3c2oc1C(=O)Nc1n[n-]c(SCCO)n1 ZINC000155300121 495910781 /nfs/dbraw/zinc/91/07/81/495910781.db2.gz LUDFRAWSIIEKJS-UHFFFAOYSA-N -1 3 368.418 3.349 20 0 FGADHM Cn1ccnc1C[C@H]1CCCN(C(=O)c2ccc3c(c2[O-])CCCC3)C1 ZINC000183298151 495919626 /nfs/dbraw/zinc/91/96/26/495919626.db2.gz QWMDPRFYOGYWDQ-OAHLLOKOSA-N -1 3 353.466 3.099 20 0 FGADHM Cc1nc(C)c(S(=O)(=O)[N-]C[C@@H](c2ccccc2)C(F)(F)F)s1 ZINC000186273455 495922972 /nfs/dbraw/zinc/92/29/72/495922972.db2.gz 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CC(C)N(Cc1ccc(-c2cccc(F)c2)s1)Cc1nc(=O)n(C)[n-]1 ZINC000577918240 505817735 /nfs/dbraw/zinc/81/77/35/505817735.db2.gz LBQYZIVBYMJMCT-UHFFFAOYSA-N -1 3 360.458 3.387 20 0 FGADHM O=C(N[C@@H]1CCc2c1cccc2Br)c1cccc2nn[n-]c21 ZINC000183556661 496028998 /nfs/dbraw/zinc/02/89/98/496028998.db2.gz FONUXXCRLMVCGF-CYBMUJFWSA-N -1 3 357.211 3.138 20 0 FGADHM O=C(N[C@@H]1CCc2c1cccc2Br)c1cccc2[n-]nnc21 ZINC000183556661 496029003 /nfs/dbraw/zinc/02/90/03/496029003.db2.gz FONUXXCRLMVCGF-CYBMUJFWSA-N -1 3 357.211 3.138 20 0 FGADHM O=C(N[C@@H]1CCc2c1cccc2Br)c1cccc2n[n-]nc21 ZINC000183556661 496029006 /nfs/dbraw/zinc/02/90/06/496029006.db2.gz FONUXXCRLMVCGF-CYBMUJFWSA-N -1 3 357.211 3.138 20 0 FGADHM Cc1cc([N-]C(=O)[C@@H](C)Nc2cc(F)c(Br)c(F)c2)on1 ZINC000180599225 496062191 /nfs/dbraw/zinc/06/21/91/496062191.db2.gz YPKGSTNSMCOXFH-SSDOTTSWSA-N -1 3 360.158 3.463 20 0 FGADHM Cc1cc(S(=O)(=O)[N-][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c(Cl)cc1F ZINC000155792622 496069340 /nfs/dbraw/zinc/06/93/40/496069340.db2.gz MZWAJXCQHDKYFT-VQISRLSMSA-N -1 3 359.850 3.023 20 0 FGADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@@H](C)Sc3ccccn3)cc2)n1 ZINC000152186718 496074863 /nfs/dbraw/zinc/07/48/63/496074863.db2.gz UEDKBIYNQLWKRP-CYBMUJFWSA-N -1 3 366.446 3.260 20 0 FGADHM CCc1ccc([O-])c(C(=O)N2CCC(CCC(=O)N(CC)CC)CC2)c1 ZINC000180640280 496081473 /nfs/dbraw/zinc/08/14/73/496081473.db2.gz AOMIVHFLPPENQT-UHFFFAOYSA-N -1 3 360.498 3.455 20 0 FGADHM COC(=O)c1ccsc1[N-]C(=O)C(=O)N1CCC[C@@H]1c1cccc(C)c1 ZINC000174763445 496096544 /nfs/dbraw/zinc/09/65/44/496096544.db2.gz SLFLTWUTGNCROZ-OAHLLOKOSA-N -1 3 372.446 3.145 20 0 FGADHM CN(C)Cc1ccc(CNC(=O)Cc2ccc([O-])cc2Cl)cc1F ZINC000155911987 496105136 /nfs/dbraw/zinc/10/51/36/496105136.db2.gz KKNCGLXKUODSRN-UHFFFAOYSA-N -1 3 350.821 3.105 20 0 FGADHM O=C(CSc1nnc(Cc2cccc(F)c2)o1)Nc1ccccc1[O-] ZINC000180703971 496110887 /nfs/dbraw/zinc/11/08/87/496110887.db2.gz FKPYNVYSNNJZNZ-UHFFFAOYSA-N -1 3 359.382 3.236 20 0 FGADHM CCC[C@H](CC1CCCC1)C(=O)NCc1ccc(S(=O)(=O)[N-]C)s1 ZINC000172012326 496129311 /nfs/dbraw/zinc/12/93/11/496129311.db2.gz NGYZOIFUSLDKMT-CQSZACIVSA-N -1 3 372.556 3.269 20 0 FGADHM CN(C)[C@H](CNC(=O)c1ccc(O)cc1[O-])c1cccc(C(F)(F)F)c1 ZINC000183893804 496150623 /nfs/dbraw/zinc/15/06/23/496150623.db2.gz AMPUBUFFXUKYJN-OAHLLOKOSA-N -1 3 368.355 3.149 20 0 FGADHM CCN(CC)C(=O)c1ccc(CNC(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000156076599 496151184 /nfs/dbraw/zinc/15/11/84/496151184.db2.gz MTLXFUFXDCTEMY-UHFFFAOYSA-N -1 3 373.428 3.013 20 0 FGADHM Cc1ccc(C[C@H](NC(=O)c2cc(=O)[n-]c(C3CC3)n2)c2ccccn2)cc1 ZINC000568996437 505826298 /nfs/dbraw/zinc/82/62/98/505826298.db2.gz ALFQWFBALYXAST-SFHVURJKSA-N -1 3 374.444 3.477 20 0 FGADHM Cc1csc([C@H](C)CNC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)n1 ZINC000186830482 496171631 /nfs/dbraw/zinc/17/16/31/496171631.db2.gz YKHBYTDPUIAXHH-SNVBAGLBSA-N -1 3 359.426 3.274 20 0 FGADHM CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)Nc1ccc([O-])cc1F ZINC000180853693 496171825 /nfs/dbraw/zinc/17/18/25/496171825.db2.gz NJZNMYVVXIPATM-QGZVFWFLSA-N -1 3 372.396 3.173 20 0 FGADHM CCc1cccc(C)c1NC(=O)CNC(=O)c1c[n-]c2ccccc2c1=O ZINC000177733633 496177497 /nfs/dbraw/zinc/17/74/97/496177497.db2.gz FFCMNAIABVCZOC-UHFFFAOYSA-N -1 3 363.417 3.180 20 0 FGADHM Cc1nc(S(=O)(=O)[C@H](C)C(=O)Nc2ccccc2)[n-]c1-c1ccccc1 ZINC000186851768 496181383 /nfs/dbraw/zinc/18/13/83/496181383.db2.gz CAVVUHPODUPCJH-CQSZACIVSA-N -1 3 369.446 3.186 20 0 FGADHM Cc1nn(-c2ccccc2)c(C)c1CC(=O)NCc1ccc([O-])c(F)c1 ZINC000156202287 496186145 /nfs/dbraw/zinc/18/61/45/496186145.db2.gz ASVSDSFGGDXRAO-UHFFFAOYSA-N -1 3 353.397 3.193 20 0 FGADHM Cc1ccc(CS(=O)(=O)[N-]Cc2nc3ccccc3s2)cc1F ZINC000183985610 496188948 /nfs/dbraw/zinc/18/89/48/496188948.db2.gz AQTIDNWIORVUEY-UHFFFAOYSA-N -1 3 350.440 3.363 20 0 FGADHM O=C(Nc1n[n-]c(-c2ccccc2F)n1)c1cncn1-c1ccc(F)cc1 ZINC000172160887 496190319 /nfs/dbraw/zinc/19/03/19/496190319.db2.gz OKUSRWTXIKLWQN-UHFFFAOYSA-N -1 3 366.331 3.188 20 0 FGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@@H]2CCOC(C)(C)C2)cc1Cl ZINC000156265898 496201688 /nfs/dbraw/zinc/20/16/88/496201688.db2.gz OKFZEISLFMMGCV-SECBINFHSA-N -1 3 368.282 3.238 20 0 FGADHM O=C(CCOc1cccc(Br)c1)NCc1ccc([O-])c(F)c1 ZINC000156271804 496203477 /nfs/dbraw/zinc/20/34/77/496203477.db2.gz LVGGMDCNZSMQDQ-UHFFFAOYSA-N -1 3 368.202 3.379 20 0 FGADHM CSCc1nc2ccccc2n1CC(=O)NCc1ccc([O-])c(F)c1 ZINC000156273949 496203815 /nfs/dbraw/zinc/20/38/15/496203815.db2.gz WWHNDQLRHBGHOK-UHFFFAOYSA-N -1 3 359.426 3.060 20 0 FGADHM CCOC(=O)c1cc(NC(=O)C(C)(C)Oc2cccc(Cl)c2)n[n-]1 ZINC000180928059 496203891 /nfs/dbraw/zinc/20/38/91/496203891.db2.gz JYVQQVZJARBJIT-UHFFFAOYSA-N -1 3 351.790 3.036 20 0 FGADHM CCOC(=O)c1cc(NC(=O)C(C)(C)Oc2cccc(Cl)c2)[n-]n1 ZINC000180928059 496203898 /nfs/dbraw/zinc/20/38/98/496203898.db2.gz JYVQQVZJARBJIT-UHFFFAOYSA-N -1 3 351.790 3.036 20 0 FGADHM COc1cc(C(=O)Nc2cccc(-n3nc(C)cc3C)c2)cc(OC)c1[O-] ZINC000161620066 496208208 /nfs/dbraw/zinc/20/82/08/496208208.db2.gz SSIDSIVTVFIOQG-UHFFFAOYSA-N -1 3 367.405 3.464 20 0 FGADHM Cc1ccc(-c2nnc(NC(=O)c3cc4sc(N(C)C)nc4s3)[n-]2)o1 ZINC000177823625 496211211 /nfs/dbraw/zinc/21/12/11/496211211.db2.gz YHKJUFRMHMLZDQ-UHFFFAOYSA-N -1 3 374.451 3.363 20 0 FGADHM Cc1ccc(-c2n[n-]c(NC(=O)c3cc4sc(N(C)C)nc4s3)n2)o1 ZINC000177823625 496211216 /nfs/dbraw/zinc/21/12/16/496211216.db2.gz YHKJUFRMHMLZDQ-UHFFFAOYSA-N -1 3 374.451 3.363 20 0 FGADHM CCc1ccc([O-])c(C(=O)N2CCC(O)(Cc3cccc(F)c3)CC2)c1 ZINC000184035616 496212401 /nfs/dbraw/zinc/21/24/01/496212401.db2.gz JXPLNKZVNXBKTO-UHFFFAOYSA-N -1 3 357.425 3.304 20 0 FGADHM CCN(C(=O)Cc1csc(NC(=O)c2cccc([O-])c2)n1)C1CCCC1 ZINC000161694594 496223372 /nfs/dbraw/zinc/22/33/72/496223372.db2.gz YUEUVOFDNJAMNB-UHFFFAOYSA-N -1 3 373.478 3.435 20 0 FGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)c1sccc1Br ZINC000181005916 496237980 /nfs/dbraw/zinc/23/79/80/496237980.db2.gz QAGGGXHHIWBFIK-UHFFFAOYSA-N -1 3 373.228 3.490 20 0 FGADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCN(c3ncc(Cl)cc3Cl)CC2)n1 ZINC000177918417 496251386 /nfs/dbraw/zinc/25/13/86/496251386.db2.gz 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3.269 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)CC(C)(C)O3)cc1 ZINC000170551770 496720261 /nfs/dbraw/zinc/72/02/61/496720261.db2.gz GZWZWULPCPPSQL-UHFFFAOYSA-N -1 3 361.419 3.240 20 0 FGADHM O=S(=O)(Cc1ccccc1F)[N-]c1ccc2nnc(C3CCC3)n2c1 ZINC000188230499 496720479 /nfs/dbraw/zinc/72/04/79/496720479.db2.gz ORXIDRXDVCWOSW-UHFFFAOYSA-N -1 3 360.414 3.078 20 0 FGADHM COCc1nc(S[C@H](C)C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)n[n-]1 ZINC000268550831 496733825 /nfs/dbraw/zinc/73/38/25/496733825.db2.gz PPJONCBJJLAMQY-CHWSQXEVSA-N -1 3 374.510 3.188 20 0 FGADHM CS(=O)(=O)[N-]c1cc(NC(=O)CCc2cccc(F)c2F)ccc1F ZINC000194846900 496734066 /nfs/dbraw/zinc/73/40/66/496734066.db2.gz LYTCLSPVGIDDEW-UHFFFAOYSA-N -1 3 372.368 3.047 20 0 FGADHM CCOC(=O)c1ccc(NC(=O)CCc2nnc(C3CCCC3)o2)c([O-])c1 ZINC000268555937 496735251 /nfs/dbraw/zinc/73/52/51/496735251.db2.gz JDPKCKBKLGVDDR-UHFFFAOYSA-N -1 3 373.409 3.181 20 0 FGADHM CCN(CC)C(=O)CCCNC(=O)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000188276208 496737535 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COc1cc(C(=O)NCCc2cn(C)c3cc(C)ccc23)cc(OC)c1[O-] ZINC000188435402 496790413 /nfs/dbraw/zinc/79/04/13/496790413.db2.gz FDLRVJVRCASPPE-UHFFFAOYSA-N -1 3 368.433 3.182 20 0 FGADHM COc1ccc([O-])c(-c2nc([C@H]3CN(Cc4ccccc4)CCO3)no2)c1 ZINC000273386509 496791697 /nfs/dbraw/zinc/79/16/97/496791697.db2.gz HCIWSQHAUAMGKV-GOSISDBHSA-N -1 3 367.405 3.024 20 0 FGADHM CCOC(=O)c1csc(C2CCN(C(=O)c3ccc(C)cc3[O-])CC2)n1 ZINC000191549065 496806830 /nfs/dbraw/zinc/80/68/30/496806830.db2.gz NSAMVDIRIPQFGR-UHFFFAOYSA-N -1 3 374.462 3.354 20 0 FGADHM O=C(NCc1ccc(Br)cc1)c1c[n-]nc1-c1ccccn1 ZINC000574847608 505867408 /nfs/dbraw/zinc/86/74/08/505867408.db2.gz SULBUVDDSHXIRS-UHFFFAOYSA-N -1 3 357.211 3.164 20 0 FGADHM COCCS(=O)(=O)[N-]c1ccc(-c2ccc(Cl)cc2Cl)nc1 ZINC000191564163 496813828 /nfs/dbraw/zinc/81/38/28/496813828.db2.gz LBZVGFANZWJPAS-UHFFFAOYSA-N -1 3 361.250 3.444 20 0 FGADHM C[C@H](Cc1cccc(F)c1)C(=O)Nc1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000195080705 496816600 /nfs/dbraw/zinc/81/66/00/496816600.db2.gz GZYIUCIPQBECDP-LLVKDONJSA-N -1 3 368.405 3.154 20 0 FGADHM CCCCc1nnc([N-]C(=O)c2cn(-c3cccc(Cl)c3)nn2)s1 ZINC000188647584 496864682 /nfs/dbraw/zinc/86/46/82/496864682.db2.gz BBGZLJJCQCYIRE-UHFFFAOYSA-N -1 3 362.846 3.367 20 0 FGADHM O=C(N[C@H](Cc1ccccc1)C(=O)N1CCCC1)c1cc([O-])ccc1Cl ZINC000277723177 496866082 /nfs/dbraw/zinc/86/60/82/496866082.db2.gz PPSZBQAASCTEPG-GOSISDBHSA-N -1 3 372.852 3.009 20 0 FGADHM Cc1cnc(C(=O)[N-]c2nnc([C@@H]3CCCc4ccccc43)s2)cn1 ZINC000277743845 496872731 /nfs/dbraw/zinc/87/27/31/496872731.db2.gz YJIJAGGSOSWUOD-CQSZACIVSA-N -1 3 351.435 3.357 20 0 FGADHM Cc1cccnc1C(F)(F)C(=O)[N-][C@@H](c1nccn1C)c1cccc(F)c1 ZINC000195317885 496886739 /nfs/dbraw/zinc/88/67/39/496886739.db2.gz HECARVMVGUVBRC-OAHLLOKOSA-N -1 3 374.366 3.260 20 0 FGADHM CCc1cc2c([n-]c(CC(=O)N[C@H](CC)c3ccccc3)nc2=O)s1 ZINC000188732224 496891014 /nfs/dbraw/zinc/89/10/14/496891014.db2.gz KLQNVGLSWRVOML-OAHLLOKOSA-N -1 3 355.463 3.357 20 0 FGADHM O=C(c1ccc(C(=O)N2CC[C@H]3OCCC[C@@H]3C2)cc1)c1cccc([O-])c1 ZINC000188782738 496908749 /nfs/dbraw/zinc/90/87/49/496908749.db2.gz KBHGXBKHWUGLHA-UYAOXDASSA-N -1 3 365.429 3.264 20 0 FGADHM C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000264528592 496921494 /nfs/dbraw/zinc/92/14/94/496921494.db2.gz CHYQYJNGQLAOPB-CYBMUJFWSA-N -1 3 371.437 3.022 20 0 FGADHM CC(C)(C)C[C@@H](CO)NC(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000188832339 496921714 /nfs/dbraw/zinc/92/17/14/496921714.db2.gz UZZHYLPSVPFTGQ-KRWDZBQOSA-N -1 3 355.434 3.150 20 0 FGADHM Cn1cnc([N-]C(=O)c2csc(-c3ccc(Br)s3)n2)n1 ZINC000578153472 505874183 /nfs/dbraw/zinc/87/41/83/505874183.db2.gz AXZKNEIUOZEGFI-UHFFFAOYSA-N -1 3 370.257 3.015 20 0 FGADHM CCOc1cc(C(=O)N(C)[C@H](C)C2CCN(C)CC2)cc(Cl)c1[O-] ZINC000273845821 496930353 /nfs/dbraw/zinc/93/03/53/496930353.db2.gz KMDBVAKNQOMXFM-GFCCVEGCSA-N -1 3 354.878 3.247 20 0 FGADHM O=C(Nc1nnc(-c2ccccn2)[n-]1)c1ccc(OCc2ccccc2)nc1 ZINC000195485695 496936732 /nfs/dbraw/zinc/93/67/32/496936732.db2.gz KXHIPYIDZJZDBF-UHFFFAOYSA-N -1 3 372.388 3.093 20 0 FGADHM O=C(Nc1nc(-c2ccccn2)n[n-]1)c1ccc(OCc2ccccc2)nc1 ZINC000195485695 496936737 /nfs/dbraw/zinc/93/67/37/496936737.db2.gz KXHIPYIDZJZDBF-UHFFFAOYSA-N -1 3 372.388 3.093 20 0 FGADHM O=C(Nc1n[n-]c(-c2ccccn2)n1)c1ccc(OCc2ccccc2)nc1 ZINC000195485695 496936740 /nfs/dbraw/zinc/93/67/40/496936740.db2.gz KXHIPYIDZJZDBF-UHFFFAOYSA-N -1 3 372.388 3.093 20 0 FGADHM CC1(C)C[C@H](NC(=O)c2ccc(C(=O)c3cccc([O-])c3)cc2)CCO1 ZINC000188901414 496941581 /nfs/dbraw/zinc/94/15/81/496941581.db2.gz FCHLNUWOSRYICC-QGZVFWFLSA-N -1 3 353.418 3.311 20 0 FGADHM CCCCc1nc(C(=O)OCC)c(NC(=O)[C@@H](OC)c2ccccc2)[n-]1 ZINC000191963796 496946210 /nfs/dbraw/zinc/94/62/10/496946210.db2.gz KDZDFGRHVKVQLQ-INIZCTEOSA-N -1 3 359.426 3.255 20 0 FGADHM CCCCc1nc(NC(=O)[C@@H](OC)c2ccccc2)c(C(=O)OCC)[n-]1 ZINC000191963796 496946214 /nfs/dbraw/zinc/94/62/14/496946214.db2.gz KDZDFGRHVKVQLQ-INIZCTEOSA-N -1 3 359.426 3.255 20 0 FGADHM COc1ccc(C)cc1N1C[C@@H](c2nc(-c3ccc([O-])cc3)no2)CC1=O ZINC000264664286 496957486 /nfs/dbraw/zinc/95/74/86/496957486.db2.gz VNZAVWOGIACWLS-AWEZNQCLSA-N -1 3 365.389 3.280 20 0 FGADHM CN(C)C(=O)c1ccc(CNC(=O)c2cc([O-])ccc2C(F)(F)F)cc1 ZINC000188969082 496964460 /nfs/dbraw/zinc/96/44/60/496964460.db2.gz HDWMDPBYFPSUDG-UHFFFAOYSA-N -1 3 366.339 3.043 20 0 FGADHM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)Cc2ccc(C)cc2F)o1 ZINC000192022733 496966293 /nfs/dbraw/zinc/96/62/93/496966293.db2.gz OITSHWIPMHENIA-MRXNPFEDSA-N -1 3 355.431 3.097 20 0 FGADHM CCc1ccc(C(=O)N2CCCN(Cc3ccc(F)cc3)CC2)c([O-])c1 ZINC000188984258 496967980 /nfs/dbraw/zinc/96/79/80/496967980.db2.gz VVZNBRMDSOPVFG-UHFFFAOYSA-N -1 3 356.441 3.442 20 0 FGADHM CCOc1cc(C(=O)N2CC[C@H](N3CCCCC3)C2)cc(Cl)c1[O-] ZINC000273948360 496968101 /nfs/dbraw/zinc/96/81/01/496968101.db2.gz MBVKOHRCVISUCQ-AWEZNQCLSA-N -1 3 352.862 3.145 20 0 FGADHM CC(C)(C)C[C@@H](NC(=O)C(=O)[N-]c1cnns1)c1ccc(Cl)cc1 ZINC000192044985 496974654 /nfs/dbraw/zinc/97/46/54/496974654.db2.gz FSDWEZMOTNUFBU-GFCCVEGCSA-N -1 3 366.874 3.424 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)[C@H](c1ccccc1)N(C)C ZINC000189036566 496986660 /nfs/dbraw/zinc/98/66/60/496986660.db2.gz MKEMLNWMNZAWHI-APPDUMDISA-N -1 3 372.412 3.074 20 0 FGADHM CCOc1nc2cc(C(=O)N[C@@H](c3ccccc3)[C@@H]3CCOC3)ccc2[n-]1 ZINC000574898001 505877990 /nfs/dbraw/zinc/87/79/90/505877990.db2.gz DWQIYYZHGWZLSG-APWZRJJASA-N -1 3 365.433 3.469 20 0 FGADHM CCOc1nc2ccc(C(=O)N[C@@H](c3ccccc3)[C@@H]3CCOC3)cc2[n-]1 ZINC000574898001 505877993 /nfs/dbraw/zinc/87/79/93/505877993.db2.gz DWQIYYZHGWZLSG-APWZRJJASA-N -1 3 365.433 3.469 20 0 FGADHM COc1ccc(N[C@H](C)C(=O)[N-]c2cc(C)no2)cc1Br ZINC000264860591 496999559 /nfs/dbraw/zinc/99/95/59/496999559.db2.gz OLQHBSYKGTWZSX-SECBINFHSA-N -1 3 354.204 3.193 20 0 FGADHM COC[C@@H](C)NCc1cc(Br)c([O-])c(Br)c1 ZINC000218377285 497002792 /nfs/dbraw/zinc/00/27/92/497002792.db2.gz FJAUBWRSMYBOIQ-SSDOTTSWSA-N -1 3 353.054 3.042 20 0 FGADHM 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Cc1[nH]nc2ncc([N-]S(=O)(=O)Cc3ccc(Cl)c(F)c3)cc12 ZINC000190422692 497473272 /nfs/dbraw/zinc/47/32/72/497473272.db2.gz NQPDJEFXBOKDMA-UHFFFAOYSA-N -1 3 354.794 3.001 20 0 FGADHM O=C(c1cc([O-])ccc1C(F)(F)F)N1CCO[C@H](Cc2ccccc2)C1 ZINC000193764282 497473667 /nfs/dbraw/zinc/47/36/67/497473667.db2.gz APIZOTWJBCJZPK-OAHLLOKOSA-N -1 3 365.351 3.495 20 0 FGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]Cc1ccc(Cl)c(C)c1 ZINC000190459033 497487153 /nfs/dbraw/zinc/48/71/53/497487153.db2.gz URWGYVBHPAQWRZ-UHFFFAOYSA-N -1 3 373.883 3.283 20 0 FGADHM O=C([O-])[C@@]12CCC[C@H]1CN(Cc1csc(-c3ccc4c(c3)OCO4)n1)C2 ZINC000262083755 497506228 /nfs/dbraw/zinc/50/62/28/497506228.db2.gz FQHSIURQVVWJMY-ORAYPTAESA-N -1 3 372.446 3.226 20 0 FGADHM Cc1cccc2ncnc(N3CCC(C(=O)Nc4ccccc4[O-])CC3)c12 ZINC000267296706 497519354 /nfs/dbraw/zinc/51/93/54/497519354.db2.gz JLQQWAOPXKUNOX-UHFFFAOYSA-N -1 3 362.433 3.499 20 0 FGADHM CCN(C(=O)c1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1)c1cccc(C)c1C ZINC000267309018 497522200 /nfs/dbraw/zinc/52/22/00/497522200.db2.gz NEZFBCHXSNGJTR-OAQYLSRUSA-N -1 3 365.433 3.025 20 0 FGADHM COCCOc1cc(OC)ccc1-c1nc(-c2ccc([O-])c(OC)c2)no1 ZINC000276285050 497535825 /nfs/dbraw/zinc/53/58/25/497535825.db2.gz QAQKBLUVPWYENV-UHFFFAOYSA-N -1 3 372.377 3.152 20 0 FGADHM CCCCOc1ccc(C(=O)N[C@@H]2CCC[C@@H]([S@@](=O)CC)C2)c([O-])c1 ZINC000190590572 497536183 /nfs/dbraw/zinc/53/61/83/497536183.db2.gz OTXGRKMTNJYMDH-ZCBSFCEKSA-N -1 3 367.511 3.381 20 0 FGADHM COc1cccc2c(C(=O)Nc3cccc(N4CCCCC4=O)c3)[n-]nc21 ZINC000572205442 505912919 /nfs/dbraw/zinc/91/29/19/505912919.db2.gz JJFJIOKTGSAPFL-UHFFFAOYSA-N -1 3 364.405 3.341 20 0 FGADHM COc1cccc2c(C(=O)Nc3cccc(N4CCCCC4=O)c3)n[n-]c21 ZINC000572205442 505912923 /nfs/dbraw/zinc/91/29/23/505912923.db2.gz JJFJIOKTGSAPFL-UHFFFAOYSA-N -1 3 364.405 3.341 20 0 FGADHM O=C([N-]OC[C@@H]1CCOC1)Nc1cccc(CSc2ccccn2)c1 ZINC000276351180 497552253 /nfs/dbraw/zinc/55/22/53/497552253.db2.gz IOTHMUDAKLPUOS-OAHLLOKOSA-N -1 3 359.451 3.464 20 0 FGADHM Cc1oc(CN(C)C(=O)C2CCN(Cc3ccccc3)CC2)cc1C(=O)[O-] ZINC000262437813 497556626 /nfs/dbraw/zinc/55/66/26/497556626.db2.gz FWBGTJDOBFFXQX-UHFFFAOYSA-N -1 3 370.449 3.157 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C)c1nc(C)cs1 ZINC000245895894 497562995 /nfs/dbraw/zinc/56/29/95/497562995.db2.gz IFNWUBKXTNNTFA-DCGLDWPTSA-N -1 3 370.540 3.217 20 0 FGADHM Cc1nc(C)c(CCC(=O)N2CCc3c(cccc3C(C)C)C2)c(=O)[n-]1 ZINC000190713114 497581602 /nfs/dbraw/zinc/58/16/02/497581602.db2.gz MYOZDTBRLXDFPT-UHFFFAOYSA-N -1 3 353.466 3.028 20 0 FGADHM COc1cc(/C=C(/C(=O)[N-]OC[C@H]2CCOC2)c2ccccc2)ccc1O ZINC000276493483 497586215 /nfs/dbraw/zinc/58/62/15/497586215.db2.gz SVSCVXXIYXJHQL-GYKGCMEESA-N -1 3 369.417 3.026 20 0 FGADHM O=c1cc(CN[C@@H](c2ccccc2OC(F)F)C(F)(F)F)occ1[O-] ZINC000272331497 497599569 /nfs/dbraw/zinc/59/95/69/497599569.db2.gz WQKBKKWTGXXUJX-ZDUSSCGKSA-N -1 3 365.254 3.340 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)[C@H]3CCCc4c(O)cccc43)[n-]c21 ZINC000190779111 497601249 /nfs/dbraw/zinc/60/12/49/497601249.db2.gz MDCHEIDDIBKGLL-ZDUSSCGKSA-N -1 3 365.389 3.114 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@H]3CCCc4c(O)cccc43)nc21 ZINC000190779111 497601253 /nfs/dbraw/zinc/60/12/53/497601253.db2.gz MDCHEIDDIBKGLL-ZDUSSCGKSA-N -1 3 365.389 3.114 20 0 FGADHM Cc1cc(C(=O)N2CCC([C@H](C)NC(=O)OC(C)(C)C)CC2)ccc1[O-] ZINC000272376646 497611380 /nfs/dbraw/zinc/61/13/80/497611380.db2.gz FDZQWZSTQCYAKA-AWEZNQCLSA-N -1 3 362.470 3.466 20 0 FGADHM O=C(N[C@H]1CC(=O)N(C2CCCCC2)C1)c1cc([O-])ccc1C(F)(F)F ZINC000280080838 497642866 /nfs/dbraw/zinc/64/28/66/497642866.db2.gz YDHUZFIHTRSEDM-NSHDSACASA-N -1 3 370.371 3.074 20 0 FGADHM COc1ccc(NC(C)=O)c(NC(=O)c2cc(-c3ccc(C)o3)[n-]n2)c1 ZINC000194387226 497650917 /nfs/dbraw/zinc/65/09/17/497650917.db2.gz SKTQYHNVYFHZCB-UHFFFAOYSA-N -1 3 354.366 3.197 20 0 FGADHM COc1ccc(NC(C)=O)c(NC(=O)c2cc(-c3ccc(C)o3)n[n-]2)c1 ZINC000194387226 497650921 /nfs/dbraw/zinc/65/09/21/497650921.db2.gz SKTQYHNVYFHZCB-UHFFFAOYSA-N -1 3 354.366 3.197 20 0 FGADHM COC(=O)c1ccc(C(=O)[N-]c2nnc(-c3ccccc3Cl)s2)cn1 ZINC000194413017 497658733 /nfs/dbraw/zinc/65/87/33/497658733.db2.gz UDGCOYDZDVSUPS-UHFFFAOYSA-N -1 3 374.809 3.292 20 0 FGADHM COc1cc(C(=O)N2CCC[C@H](C(=O)c3ccc(F)cc3)C2)ccc1[O-] ZINC000268089363 497675564 /nfs/dbraw/zinc/67/55/64/497675564.db2.gz SOYZULUZIVMEEX-HNNXBMFYSA-N -1 3 357.381 3.275 20 0 FGADHM COc1cc(C(=O)NCc2ccc(COCC(F)(F)F)cc2)ccc1[O-] ZINC000268099677 497677697 /nfs/dbraw/zinc/67/76/97/497677697.db2.gz WOPVWSBJUGOZAZ-UHFFFAOYSA-N -1 3 369.339 3.410 20 0 FGADHM COC(=O)c1cccc(NC2CCN(C(=O)c3ccc([O-])c(C)c3)CC2)c1 ZINC000272627884 497683247 /nfs/dbraw/zinc/68/32/47/497683247.db2.gz KAJZHGVJDKLMAH-UHFFFAOYSA-N -1 3 368.433 3.204 20 0 FGADHM CCCCOc1ccc(C(=O)N2CC[S@](=O)C(CC)(CC)C2)c([O-])c1 ZINC000191039863 497691508 /nfs/dbraw/zinc/69/15/08/497691508.db2.gz HGFHEZGSDVOTFQ-VWLOTQADSA-N -1 3 367.511 3.334 20 0 FGADHM Cc1nc(CCCNCc2cc(Cl)cc3c2OCC3)sc1C(=O)[O-] ZINC000276935828 497692601 /nfs/dbraw/zinc/69/26/01/497692601.db2.gz BYWSTTQZPDSFAN-UHFFFAOYSA-N -1 3 366.870 3.460 20 0 FGADHM COCCCOC1CCN(C(=O)c2cc([O-])ccc2C(F)(F)F)CC1 ZINC000280251128 497697610 /nfs/dbraw/zinc/69/76/10/497697610.db2.gz UINRXKMOIWLECJ-UHFFFAOYSA-N -1 3 361.360 3.069 20 0 FGADHM C[C@H]1CCCC[C@@H]1NC(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000194537588 497698866 /nfs/dbraw/zinc/69/88/66/497698866.db2.gz UAUJSVWVDDIBLQ-HOCLYGCPSA-N -1 3 359.470 3.331 20 0 FGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CCC(C)=C(C)C1 ZINC000280261319 497700962 /nfs/dbraw/zinc/70/09/62/497700962.db2.gz PSDXIEGURCHVGB-UHFFFAOYSA-N -1 3 352.438 3.054 20 0 FGADHM C[C@]1(C(=O)[O-])CCN(CC(=O)N(C2CCCCC2)C2CCCCC2)C1 ZINC000263135659 497714688 /nfs/dbraw/zinc/71/46/88/497714688.db2.gz MACCGBSHMMXXEG-FQEVSTJZSA-N -1 3 350.503 3.277 20 0 FGADHM O=C(COc1cc(F)cc(F)c1)Nc1nnc(-c2c(F)cccc2F)[n-]1 ZINC000569398080 505924829 /nfs/dbraw/zinc/92/48/29/505924829.db2.gz LCTJJMHRPBPQDE-UHFFFAOYSA-N -1 3 366.274 3.046 20 0 FGADHM O=C(COc1cc(F)cc(F)c1)Nc1nc(-c2c(F)cccc2F)n[n-]1 ZINC000569398080 505924831 /nfs/dbraw/zinc/92/48/31/505924831.db2.gz LCTJJMHRPBPQDE-UHFFFAOYSA-N -1 3 366.274 3.046 20 0 FGADHM O=C(COc1cc(F)cc(F)c1)Nc1n[n-]c(-c2c(F)cccc2F)n1 ZINC000569398080 505924832 /nfs/dbraw/zinc/92/48/32/505924832.db2.gz LCTJJMHRPBPQDE-UHFFFAOYSA-N -1 3 366.274 3.046 20 0 FGADHM CCCn1c(CNCCc2nc(C)c(C(=O)[O-])s2)nc2ccccc21 ZINC000277066772 497732093 /nfs/dbraw/zinc/73/20/93/497732093.db2.gz UYLHARIPGGDIQZ-UHFFFAOYSA-N -1 3 358.467 3.242 20 0 FGADHM COc1cc(CN[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])cc2c1OCCO2 ZINC000277166414 497763112 /nfs/dbraw/zinc/76/31/12/497763112.db2.gz DNWIPTBFJKTGLZ-FZKQIMNGSA-N -1 3 357.406 3.018 20 0 FGADHM CN(C)C[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1F)c1ccc(Cl)cc1 ZINC000572260147 505927991 /nfs/dbraw/zinc/92/79/91/505927991.db2.gz NTPSNYBGNVHBSZ-OAHLLOKOSA-N -1 3 374.840 3.199 20 0 FGADHM O=C([N-]c1cnns1)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1 ZINC000191291083 497769861 /nfs/dbraw/zinc/76/98/61/497769861.db2.gz XWPQJHBGIPSYQW-UHFFFAOYSA-N -1 3 372.410 3.239 20 0 FGADHM C[C@@H](c1ccc(F)cc1)N1CCC[C@@H](NCc2ccc(C(=O)[O-])cc2)C1=O ZINC000263391549 497774704 /nfs/dbraw/zinc/77/47/04/497774704.db2.gz FJGOPGNDZBSYQS-IFXJQAMLSA-N -1 3 370.424 3.366 20 0 FGADHM C[C@H](NC(=O)[C@H](C)N1C[C@@H](C)[C@H](C(=O)[O-])C1)c1ccc2ccccc2c1 ZINC000263389704 497774887 /nfs/dbraw/zinc/77/48/87/497774887.db2.gz YNBUGMQLOUDNOV-MMMWYMCRSA-N -1 3 354.450 3.058 20 0 FGADHM CN(C)CCN(CCCc1ccccc1)C(=O)c1ccc(C(=O)[O-])cc1 ZINC000263455784 497785188 /nfs/dbraw/zinc/78/51/88/497785188.db2.gz UMPRKNRFGMPQEB-UHFFFAOYSA-N -1 3 354.450 3.021 20 0 FGADHM COc1cc(Cl)c(CN[C@H](CN2CCCCC2)C(=O)[O-])cc1Cl ZINC000277247699 497787625 /nfs/dbraw/zinc/78/76/25/497787625.db2.gz JQIMMXILIMJORQ-CQSZACIVSA-N -1 3 361.269 3.031 20 0 FGADHM O=C([O-])c1ccc(CN2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)cc1 ZINC000263582448 497803289 /nfs/dbraw/zinc/80/32/89/497803289.db2.gz YRNGRHXPPSXZNA-OAHLLOKOSA-N -1 3 373.840 3.284 20 0 FGADHM CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)c1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000246805614 497812433 /nfs/dbraw/zinc/81/24/33/497812433.db2.gz KAKISIVQCXFVCP-LFRPXUGBSA-N -1 3 371.481 3.076 20 0 FGADHM COc1cc(C)cc(C(=O)Nc2cccc(NC(=O)N(C)C)c2C)c1[O-] ZINC000280611005 497825730 /nfs/dbraw/zinc/82/57/30/497825730.db2.gz PKUGISKTTUKIRD-UHFFFAOYSA-N -1 3 357.410 3.363 20 0 FGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@@H](C)CCCCO)s2)cs1 ZINC000295882285 497840978 /nfs/dbraw/zinc/84/09/78/497840978.db2.gz ZUYXEZYWJJSVNW-JTQLQIEISA-N -1 3 360.526 3.009 20 0 FGADHM Cc1nn(C)c(C)c1CCC(=O)Nc1c([O-])ccc(Br)c1C ZINC000295887478 497842885 /nfs/dbraw/zinc/84/28/85/497842885.db2.gz DUABNLIEBZKMLW-UHFFFAOYSA-N -1 3 366.259 3.385 20 0 FGADHM O=S(=O)(Cc1ccccc1C(F)(F)F)[N-]Cc1noc2c1CCCC2 ZINC000288621447 497849302 /nfs/dbraw/zinc/84/93/02/497849302.db2.gz MLCRCCCECTXQPS-UHFFFAOYSA-N -1 3 374.384 3.192 20 0 FGADHM O=C([O-])c1ccccc1OCCN1CCCC[C@H]1[C@@H](O)c1ccccc1 ZINC000364238022 497855140 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C[C@@H]1CCC[C@@H](CO)N1Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000299732906 497910943 /nfs/dbraw/zinc/91/09/43/497910943.db2.gz YBLHIBVWJVEALI-NEPJUHHUSA-N -1 3 359.451 3.392 20 0 FGADHM COc1cccc(C(=O)Nc2cccc(C(C)=O)c2[O-])c1OC(F)F ZINC000581273097 505948891 /nfs/dbraw/zinc/94/88/91/505948891.db2.gz VAQVEADJUXGRGE-UHFFFAOYSA-N -1 3 351.305 3.457 20 0 FGADHM O=C(NC[C@@H](c1cccs1)N1CCCC1)c1c(F)ccc([O-])c1F ZINC000280866780 497928061 /nfs/dbraw/zinc/92/80/61/497928061.db2.gz YAJLWELOWKSHIT-LBPRGKRZSA-N -1 3 352.406 3.299 20 0 FGADHM C[C@@H]1CCCN(Cc2cc(Br)cc3c2OCC3)[C@H]1C(=O)[O-] ZINC000300291493 497931127 /nfs/dbraw/zinc/93/11/27/497931127.db2.gz AMMWFJVWMZVPON-QMTHXVAHSA-N -1 3 354.244 3.069 20 0 FGADHM O=S(=O)(Cc1ccccc1C(F)(F)F)[N-]c1cnc2c(c1)COCC2 ZINC000364415877 497945321 /nfs/dbraw/zinc/94/53/21/497945321.db2.gz FRZJMAUZDNZZSA-UHFFFAOYSA-N -1 3 372.368 3.115 20 0 FGADHM CCOC(=O)c1nc(C2CCN(C(=O)CC3(C)CCCCC3)CC2)n[n-]1 ZINC000364458286 497967671 /nfs/dbraw/zinc/96/76/71/497967671.db2.gz GOQYMYZTBSZJTB-UHFFFAOYSA-N -1 3 362.474 3.048 20 0 FGADHM CCOC(=O)c1nnc(C2CCN(C(=O)CC3(C)CCCCC3)CC2)[n-]1 ZINC000364458286 497967676 /nfs/dbraw/zinc/96/76/76/497967676.db2.gz GOQYMYZTBSZJTB-UHFFFAOYSA-N -1 3 362.474 3.048 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C[C@@H]3CCCC[C@H]3O)c2)n1 ZINC000280998776 497980902 /nfs/dbraw/zinc/98/09/02/497980902.db2.gz RABAIYZOKCQUFY-SUMWQHHRSA-N -1 3 355.438 3.291 20 0 FGADHM CCc1cc2c(ncnc2NCCCNC(=O)c2cccc([O-])c2)s1 ZINC000301198421 497994593 /nfs/dbraw/zinc/99/45/93/497994593.db2.gz VIUDQDCCKNQAMW-UHFFFAOYSA-N -1 3 356.451 3.191 20 0 FGADHM COCCOCCN(C)Cc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000289055589 497997505 /nfs/dbraw/zinc/99/75/05/497997505.db2.gz QSQKHMIVPSPJCY-UHFFFAOYSA-N -1 3 373.478 3.159 20 0 FGADHM Cc1nc2sccn2c(=O)c1CCO[N-]C(=O)CCC1CCCCC1 ZINC000285224941 498026872 /nfs/dbraw/zinc/02/68/72/498026872.db2.gz QJJCNJXNUUARHS-UHFFFAOYSA-N -1 3 363.483 3.015 20 0 FGADHM Cc1n[nH]c(C(F)F)c1[N-]S(=O)(=O)CCCOCc1ccccc1 ZINC000572444509 505970543 /nfs/dbraw/zinc/97/05/43/505970543.db2.gz SOMWNGRJCFMWBC-UHFFFAOYSA-N -1 3 359.398 3.004 20 0 FGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)NCC2=CCCCC2)cc1OC ZINC000296458719 498052268 /nfs/dbraw/zinc/05/22/68/498052268.db2.gz VDKKYUKTYDPYCW-UHFFFAOYSA-N -1 3 367.471 3.079 20 0 FGADHM O=S(=O)([N-][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1ccc(Cl)cc1Cl ZINC000330254877 498080204 /nfs/dbraw/zinc/08/02/04/498080204.db2.gz PKVNKILTGVAMQR-ZLKJLUDKSA-N -1 3 362.278 3.229 20 0 FGADHM CCOc1cc(-c2noc(C3CCN(CC(F)F)CC3)n2)ccc1[O-] ZINC000289290363 498092983 /nfs/dbraw/zinc/09/29/83/498092983.db2.gz ZEXMLTKTVDRHJX-UHFFFAOYSA-N -1 3 353.369 3.285 20 0 FGADHM CCOCCCNC(=O)Cc1noc(-c2cc3cc(Cl)sc3[n-]2)n1 ZINC000350421068 498096379 /nfs/dbraw/zinc/09/63/79/498096379.db2.gz SGYHNOIXKXYASH-UHFFFAOYSA-N -1 3 368.846 3.018 20 0 FGADHM CCc1csc([C@@H]2CCCN(C(=O)c3cc(F)cc4[n-]nnc43)C2)n1 ZINC000330312867 498101526 /nfs/dbraw/zinc/10/15/26/498101526.db2.gz WUFSXPFGBHYYIB-SNVBAGLBSA-N -1 3 359.430 3.136 20 0 FGADHM CCc1csc([C@@H]2CCCN(C(=O)c3cc(F)cc4nn[n-]c43)C2)n1 ZINC000330312867 498101532 /nfs/dbraw/zinc/10/15/32/498101532.db2.gz WUFSXPFGBHYYIB-SNVBAGLBSA-N -1 3 359.430 3.136 20 0 FGADHM CCc1csc([C@@H]2CCCN(C(=O)c3cc(F)cc4n[n-]nc43)C2)n1 ZINC000330312867 498101539 /nfs/dbraw/zinc/10/15/39/498101539.db2.gz WUFSXPFGBHYYIB-SNVBAGLBSA-N -1 3 359.430 3.136 20 0 FGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(O)c(COC(C)C)c1 ZINC000292707085 498116440 /nfs/dbraw/zinc/11/64/40/498116440.db2.gz OBHKMGOBVPXOAB-UHFFFAOYSA-N -1 3 363.439 3.095 20 0 FGADHM COc1cc(-c2nc(-c3ccc4cnn(C)c4c3)no2)cc(OC)c1[O-] ZINC000350569749 498117085 /nfs/dbraw/zinc/11/70/85/498117085.db2.gz ATXUCMMRLDEBQI-UHFFFAOYSA-N -1 3 352.350 3.013 20 0 FGADHM [O-]c1cccc(CN[C@H]2CCN(c3ncccc3F)C2)c1Br ZINC000578615170 505981314 /nfs/dbraw/zinc/98/13/14/505981314.db2.gz MTSMKVKSTRJJDQ-LBPRGKRZSA-N -1 3 366.234 3.057 20 0 FGADHM O=C([N-]C[C@H]1CCCN(Cc2cccc(OC(F)F)c2)C1)C(F)(F)F ZINC000289400246 498134022 /nfs/dbraw/zinc/13/40/22/498134022.db2.gz 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[O-]C(=NOCC1CC1)Nc1ccnn1Cc1ccc(C(F)(F)F)cc1 ZINC000297023319 498291002 /nfs/dbraw/zinc/29/10/02/498291002.db2.gz WIMWLPPKTNLPIG-UHFFFAOYSA-N -1 3 354.332 3.413 20 0 FGADHM O=C([N-]OCC1CC1)Nc1ccnn1Cc1ccc(C(F)(F)F)cc1 ZINC000297023319 498291007 /nfs/dbraw/zinc/29/10/07/498291007.db2.gz WIMWLPPKTNLPIG-UHFFFAOYSA-N -1 3 354.332 3.413 20 0 FGADHM CCS[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cnccc2C(F)(F)F)C1 ZINC000331288222 498292924 /nfs/dbraw/zinc/29/29/24/498292924.db2.gz VDRHVZQDPFEQGR-GHMZBOCLSA-N -1 3 368.446 3.443 20 0 FGADHM O=C([N-]CC1CCN(C(=O)[C@@H](c2ccccc2)C2CC2)CC1)C(F)(F)F ZINC000281875717 498300728 /nfs/dbraw/zinc/30/07/28/498300728.db2.gz ZUFCNLUAWRRJJW-INIZCTEOSA-N -1 3 368.399 3.097 20 0 FGADHM Cc1ccc(NC(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)c(C)c1 ZINC000289810561 498303058 /nfs/dbraw/zinc/30/30/58/498303058.db2.gz IVSWXGYPVKFCQQ-CYBMUJFWSA-N -1 3 357.376 3.226 20 0 FGADHM Cc1ccc(NC(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)c(C)c1 ZINC000289812527 498304667 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CO[C@H]1CCN(C(=O)NCc2ccc([O-])c(Br)c2)CC1(C)C ZINC000297176458 498344832 /nfs/dbraw/zinc/34/48/32/498344832.db2.gz FIPXQBYEUYJDDV-AWEZNQCLSA-N -1 3 371.275 3.111 20 0 FGADHM COCCN(Cc1ccccn1)Cc1cc([O-])ccc1Br ZINC000289919334 498352895 /nfs/dbraw/zinc/35/28/95/498352895.db2.gz VQSCVWBKLXGRIC-UHFFFAOYSA-N -1 3 351.244 3.198 20 0 FGADHM CCC1CCC(c2noc(-c3cc(S(=O)(=O)[N-]C)oc3C)n2)CC1 ZINC000331539027 498364921 /nfs/dbraw/zinc/36/49/21/498364921.db2.gz HPNNUXJBDIVUAU-UHFFFAOYSA-N -1 3 353.444 3.230 20 0 FGADHM C[C@@H]1[C@H](NC(=O)N=c2nc(C(C)(C)C)[n-]s2)CCN1Cc1ccccc1 ZINC000575876131 506024217 /nfs/dbraw/zinc/02/42/17/506024217.db2.gz HTVBSUKCALDCIQ-UKRRQHHQSA-N -1 3 373.526 3.042 20 0 FGADHM CCOc1cc(CNc2ccc(NS(C)(=O)=O)cc2)cc(Cl)c1[O-] ZINC000297280315 498388808 /nfs/dbraw/zinc/38/88/08/498388808.db2.gz AFDDBSGTGBVYKT-UHFFFAOYSA-N -1 3 370.858 3.428 20 0 FGADHM Cc1ccc2[n-]cc(C(=O)Nc3cc4c(cc3F)CCC(=O)N4)c(=O)c2c1 ZINC000581623736 506029817 /nfs/dbraw/zinc/02/98/17/506029817.db2.gz 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360.414 3.002 20 0 FGADHM COC(=O)CCCO[N-]C(=O)Nc1cc(C(C)C)nn1-c1ccccc1 ZINC000290285314 498495540 /nfs/dbraw/zinc/49/55/40/498495540.db2.gz CXDXTEHQCCFYHB-UHFFFAOYSA-N -1 3 360.414 3.002 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H](CO)Cc3ccccc3C)nc2)n1 ZINC000302620901 498519761 /nfs/dbraw/zinc/51/97/61/498519761.db2.gz FHXRAXSNFSRPIA-GOSISDBHSA-N -1 3 364.449 3.131 20 0 FGADHM COc1cccc(C(=O)N2CCC(N3CCc4ccccc43)CC2)c1[O-] ZINC000282466678 498524120 /nfs/dbraw/zinc/52/41/20/498524120.db2.gz WOJKOMCKIMSLCZ-UHFFFAOYSA-N -1 3 352.434 3.068 20 0 FGADHM CC(C)(C)OC(=O)NCC[C@H]1CCCCN1C(=O)c1ccc(O)cc1[O-] ZINC000286840568 498524866 /nfs/dbraw/zinc/52/48/66/498524866.db2.gz PMJYJQISYVCAJG-CYBMUJFWSA-N -1 3 364.442 3.007 20 0 FGADHM C/C(=C\c1ccc(F)cc1)C(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000290442266 498555087 /nfs/dbraw/zinc/55/50/87/498555087.db2.gz TZMLPDISNKGXSX-TZIYXEQSSA-N -1 3 372.362 3.146 20 0 FGADHM Cc1cc(C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)c(C)cc1Cl ZINC000332096527 498560253 /nfs/dbraw/zinc/56/02/53/498560253.db2.gz CKIPXSAGULUZKT-UHFFFAOYSA-N -1 3 372.852 3.261 20 0 FGADHM CC(C)[C@H](O)C1(C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000332130426 498572921 /nfs/dbraw/zinc/57/29/21/498572921.db2.gz JOTJUXKKTWTFLV-ZDUSSCGKSA-N -1 3 352.283 3.069 20 0 FGADHM Cn1cc([C@H](NC(=O)c2cc3c(cc2[O-])CCCC3)C(F)(F)F)cn1 ZINC000332133089 498573104 /nfs/dbraw/zinc/57/31/04/498573104.db2.gz JWBLTFPEKMHHQM-HNNXBMFYSA-N -1 3 353.344 3.038 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N3CC(C)(C)[C@H]3[C@H]3CCCO3)c[n-]c12 ZINC000290496227 498573987 /nfs/dbraw/zinc/57/39/87/498573987.db2.gz FQNZZVNGQGXPDE-CRAIPNDOSA-N -1 3 358.413 3.418 20 0 FGADHM CC(C)OCc1cc(NC(=O)Nc2cccc3c2oc(=O)n3C)ccc1[O-] ZINC000290552839 498595951 /nfs/dbraw/zinc/59/59/51/498595951.db2.gz YNYJRIAMVRZKJS-UHFFFAOYSA-N -1 3 371.393 3.406 20 0 FGADHM Cc1cnn(Cc2cc(C(=O)Nc3ccc([O-])c(COC(C)C)c3)no2)c1 ZINC000290556917 498596764 /nfs/dbraw/zinc/59/67/64/498596764.db2.gz JTGOUMULNUVEAE-UHFFFAOYSA-N -1 3 370.409 3.111 20 0 FGADHM O=S(=O)([N-][C@H](CO)C1CCCCC1)c1ccc(Cl)cc1Cl ZINC000581762827 506062262 /nfs/dbraw/zinc/06/22/62/506062262.db2.gz LPDPAHPSKJHEBC-CYBMUJFWSA-N -1 3 352.283 3.213 20 0 FGADHM O=C(c1ccccc1F)N1CCC(NCc2c(F)ccc([O-])c2F)CC1 ZINC000294180259 498612627 /nfs/dbraw/zinc/61/26/27/498612627.db2.gz JREQVTDYXVYIAV-UHFFFAOYSA-N -1 3 364.367 3.204 20 0 FGADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000363086721 498642672 /nfs/dbraw/zinc/64/26/72/498642672.db2.gz GEPLJZAZYPRTJQ-UHFFFAOYSA-N -1 3 361.376 3.347 20 0 FGADHM O=S(=O)([N-][C@H]1CCCc2ccccc21)c1cnccc1C(F)(F)F ZINC000332310450 498644424 /nfs/dbraw/zinc/64/44/24/498644424.db2.gz GSRWUIYTMBKNOD-AWEZNQCLSA-N -1 3 356.369 3.456 20 0 FGADHM CCc1sc(C(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)cc1C ZINC000332337805 498654022 /nfs/dbraw/zinc/65/40/22/498654022.db2.gz RZDPNVMTLUESDS-UHFFFAOYSA-N -1 3 372.490 3.359 20 0 FGADHM CC(C)OCc1cc(NC(=O)c2cn(Cc3cccs3)nn2)ccc1[O-] ZINC000290714496 498657247 /nfs/dbraw/zinc/65/72/47/498657247.db2.gz XATWQSRFDALQET-UHFFFAOYSA-N -1 3 372.450 3.271 20 0 FGADHM CCc1ccc([C@@H](C[N-]S(=O)(=O)c2ccc(C)cc2F)N(C)C)cc1 ZINC000303242679 498658031 /nfs/dbraw/zinc/65/80/31/498658031.db2.gz KOKMLVZATXCBAH-GOSISDBHSA-N -1 3 364.486 3.278 20 0 FGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]C[C@@H]1CCN(C2CC2)C1 ZINC000570019135 506069975 /nfs/dbraw/zinc/06/99/75/506069975.db2.gz ZKUVDZIPKVGDHK-LBPRGKRZSA-N -1 3 368.886 3.157 20 0 FGADHM COC(C)(C)CS(=O)(=O)[N-][C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000290761757 498671257 /nfs/dbraw/zinc/67/12/57/498671257.db2.gz NQWLRXDBOCWPNA-LBPRGKRZSA-N -1 3 354.497 3.216 20 0 FGADHM Cn1cc2c(n1)CCC[C@@H]2[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000282851960 498680628 /nfs/dbraw/zinc/68/06/28/498680628.db2.gz XHOYBMGTSCKDOJ-ZDUSSCGKSA-N -1 3 360.266 3.083 20 0 FGADHM Cc1cc(C)c2ncc(C(=O)[O-])c(N3C[C@@H](C)OC4(CCOCC4)C3)c2c1 ZINC000579010948 506073934 /nfs/dbraw/zinc/07/39/34/506073934.db2.gz SXKATFKNPVGFIE-OAHLLOKOSA-N -1 3 370.449 3.324 20 0 FGADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000366010974 498731569 /nfs/dbraw/zinc/73/15/69/498731569.db2.gz MGEIGZSIBRDSQW-PMACEKPBSA-N -1 3 369.417 3.205 20 0 FGADHM C[C@@H]1CN(c2ccc(Cl)c(F)c2)CCN1C(=O)c1cccc2[n-]nnc21 ZINC000579041301 506080723 /nfs/dbraw/zinc/08/07/23/506080723.db2.gz ZVYGTPFCDDZDIP-LLVKDONJSA-N -1 3 373.819 3.101 20 0 FGADHM C[C@@H]1CN(c2ccc(Cl)c(F)c2)CCN1C(=O)c1cccc2nn[n-]c21 ZINC000579041301 506080725 /nfs/dbraw/zinc/08/07/25/506080725.db2.gz ZVYGTPFCDDZDIP-LLVKDONJSA-N -1 3 373.819 3.101 20 0 FGADHM C[C@@H]1CN(c2ccc(Cl)c(F)c2)CCN1C(=O)c1cccc2n[n-]nc21 ZINC000579041301 506080729 /nfs/dbraw/zinc/08/07/29/506080729.db2.gz ZVYGTPFCDDZDIP-LLVKDONJSA-N -1 3 373.819 3.101 20 0 FGADHM CC(C)(Cc1nc2ccccc2[nH]1)c1nc(-c2ccc3n[n-]nc3c2)no1 ZINC000572908957 506081132 /nfs/dbraw/zinc/08/11/32/506081132.db2.gz GWCOYSYGZGOHIM-UHFFFAOYSA-N -1 3 359.393 3.405 20 0 FGADHM COC(=O)Cc1cccc(S(=O)(=O)[N-]c2ccc(C)cc2Cl)c1 ZINC000579048268 506081855 /nfs/dbraw/zinc/08/18/55/506081855.db2.gz NYOAYXKBIAPIAV-UHFFFAOYSA-N -1 3 353.827 3.165 20 0 FGADHM C[C@@]1(c2ccc(-c3noc([C@@H]4CCCCC4(C)C)n3)cc2)NC(=O)[N-]C1=O ZINC000581849110 506073395 /nfs/dbraw/zinc/07/33/95/506073395.db2.gz AAZSAWLZZYLZQN-XOBRGWDASA-N -1 3 368.437 3.475 20 0 FGADHM CCOc1cc(CN2CCN(Cc3ccncc3)CC2)cc(Cl)c1[O-] ZINC000298394517 498755699 /nfs/dbraw/zinc/75/56/99/498755699.db2.gz HLZBFVBXIJLAMY-UHFFFAOYSA-N -1 3 361.873 3.157 20 0 FGADHM CC(C)C(=O)N1CCCN(C(=O)CCc2ccc3ccccc3c2[O-])CC1 ZINC000294640847 498758169 /nfs/dbraw/zinc/75/81/69/498758169.db2.gz QOTSDJOXLGROOE-UHFFFAOYSA-N -1 3 368.477 3.195 20 0 FGADHM C[C@@H]1CN(C(=O)NCc2ccc([O-])c(Br)c2)CCC1(F)F ZINC000291061885 498777732 /nfs/dbraw/zinc/77/77/32/498777732.db2.gz PUJMYIOVDPFBIX-SECBINFHSA-N -1 3 363.202 3.341 20 0 FGADHM CCc1nnc(C[N-]S(=O)(=O)c2ccc(CCC(C)C)cc2)s1 ZINC000581912976 506088754 /nfs/dbraw/zinc/08/87/54/506088754.db2.gz KOMIEXAFYHIPSW-UHFFFAOYSA-N -1 3 353.513 3.168 20 0 FGADHM COc1ccc(Br)cc1CNCCc1ccccc1C(=O)[O-] ZINC000317839044 498794192 /nfs/dbraw/zinc/79/41/92/498794192.db2.gz KNJGNBSDSSNHLK-UHFFFAOYSA-N -1 3 364.239 3.488 20 0 FGADHM Cc1ccc2[n-]cc(C(=O)N[C@H]3CCOC4(CCSCC4)C3)c(=O)c2c1 ZINC000332803942 498797608 /nfs/dbraw/zinc/79/76/08/498797608.db2.gz CXCGUASRVXPMMJ-AWEZNQCLSA-N -1 3 372.490 3.011 20 0 FGADHM CCOc1cc(CNCc2cnn(CC)c2)cc(Br)c1[O-] ZINC000298525915 498801884 /nfs/dbraw/zinc/80/18/84/498801884.db2.gz RSNRNBWQZZARNF-UHFFFAOYSA-N -1 3 354.248 3.060 20 0 FGADHM CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)CCc2ccc3ccccc3c2[O-])C1 ZINC000294791292 498806972 /nfs/dbraw/zinc/80/69/72/498806972.db2.gz DJHLDEGIJNSLLV-MSOLQXFVSA-N -1 3 368.477 3.241 20 0 FGADHM Cc1noc([C@H]2CCCCN2C(=O)c2c[n-]c3c(C)cc(C)cc3c2=O)n1 ZINC000332836509 498808985 /nfs/dbraw/zinc/80/89/85/498808985.db2.gz LBUNLEJECXESTP-MRXNPFEDSA-N -1 3 366.421 3.204 20 0 FGADHM Cc1nc(-c2ccc(NC(=O)N[C@@H]3[C@H]4CCO[C@@H]4C3(C)C)cc2)cc(=O)[n-]1 ZINC000332860984 498816879 /nfs/dbraw/zinc/81/68/79/498816879.db2.gz WJQPZZQYBXVPMI-OLMNPRSZSA-N -1 3 368.437 3.093 20 0 FGADHM COc1cccc(C2=CCN(C(=O)c3c[n-]c4ccccc4c3=O)CC2)c1 ZINC000363435670 498821173 /nfs/dbraw/zinc/82/11/73/498821173.db2.gz ATLGAIGQEGRNIV-UHFFFAOYSA-N -1 3 360.413 3.466 20 0 FGADHM O=C(Nc1ccccc1O)C1CCN(Cc2c(F)ccc([O-])c2F)CC1 ZINC000294870771 498833131 /nfs/dbraw/zinc/83/31/31/498833131.db2.gz KCOSRCSXPPURMX-UHFFFAOYSA-N -1 3 362.376 3.227 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@H]2C[C@H]2c2cc(F)ccc2F)c1-c1ccncc1 ZINC000366260451 498848154 /nfs/dbraw/zinc/84/81/54/498848154.db2.gz YBPJZKLSKWAEEH-ZFWWWQNUSA-N -1 3 354.360 3.222 20 0 FGADHM Cc1sc(Br)cc1S(=O)(=O)[N-]Cc1cc(C)ccn1 ZINC000328077034 498865565 /nfs/dbraw/zinc/86/55/65/498865565.db2.gz FUWUEFKOLJUIDM-UHFFFAOYSA-N -1 3 361.286 3.001 20 0 FGADHM COc1cc(C(=O)N2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)ccc1[O-] ZINC000287795196 498865745 /nfs/dbraw/zinc/86/57/45/498865745.db2.gz JBCGFRNCNUNEAH-KURKYZTESA-N -1 3 353.418 3.046 20 0 FGADHM COC(=O)c1sc2[n-]c(CN3CCC[C@H]3c3ccc[nH]3)nc(=O)c2c1C ZINC000298761270 498870740 /nfs/dbraw/zinc/87/07/40/498870740.db2.gz KYEIADSBEVGWJA-LBPRGKRZSA-N -1 3 372.450 3.157 20 0 FGADHM CC1(C)Cc2ccc(C(=O)N3CCC(Oc4ccccn4)CC3)c([O-])c2O1 ZINC000333014744 498870976 /nfs/dbraw/zinc/87/09/76/498870976.db2.gz BUWOVVHMODAKBM-UHFFFAOYSA-N -1 3 368.433 3.184 20 0 FGADHM Cc1nc(C)c(S(=O)(=O)[N-][C@H](c2ccc(F)cc2)[C@@H]2CCCO2)s1 ZINC000333020265 498871220 /nfs/dbraw/zinc/87/12/20/498871220.db2.gz IQGIKBLMRPNWKR-LSDHHAIUSA-N -1 3 370.471 3.098 20 0 FGADHM CC(C)c1nccn1C[C@H]1CCCN1Cc1nc(=O)c2sccc2[n-]1 ZINC000363567505 498882840 /nfs/dbraw/zinc/88/28/40/498882840.db2.gz FYKFMBUSKKCGJG-CYBMUJFWSA-N -1 3 357.483 3.381 20 0 FGADHM Cc1cc([N-]C(=O)[C@@H](C)N2CCC([C@H]3C(=O)Nc4ccccc43)CC2)on1 ZINC000328687525 498902329 /nfs/dbraw/zinc/90/23/29/498902329.db2.gz HCNNNUMVVVZIFE-FZKQIMNGSA-N -1 3 368.437 3.407 20 0 FGADHM O=S(=O)(CCc1ccc2c(c1)CCO2)[N-]c1cc(F)c(F)cc1F ZINC000576231531 506108673 /nfs/dbraw/zinc/10/86/73/506108673.db2.gz KEOFKRIXUNBGLX-UHFFFAOYSA-N -1 3 357.353 3.023 20 0 FGADHM CN1Cc2cc(NC(=O)c3ccc4c(c3[O-])OC(C)(C)C4)ccc2NC1=O ZINC000333117935 498905189 /nfs/dbraw/zinc/90/51/89/498905189.db2.gz ZEXMXWLRVFVVPC-UHFFFAOYSA-N -1 3 367.405 3.335 20 0 FGADHM CCc1cc(=O)[n-]c(CSC[C@H]2CCN(C(=O)c3ccccc3)C2)n1 ZINC000570188635 506110931 /nfs/dbraw/zinc/11/09/31/506110931.db2.gz CSFWFFOEFLEPLC-AWEZNQCLSA-N -1 3 357.479 3.140 20 0 FGADHM COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1cc(CN(C)C)ccc1C ZINC000579192832 506114211 /nfs/dbraw/zinc/11/42/11/506114211.db2.gz OZCLKWJMUQHOOW-UHFFFAOYSA-N -1 3 362.495 3.483 20 0 FGADHM CCS[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cn3c(n2)CCC[C@H]3C)C1 ZINC000333240137 498949323 /nfs/dbraw/zinc/94/93/23/498949323.db2.gz ZUFJETMADNWMOC-MGPQQGTHSA-N -1 3 357.545 3.123 20 0 FGADHM CO[C@@H]1[C@H]2C[C@H]3CN(C(=O)CCc4ccc5ccccc5c4[O-])[C@H]1[C@H]3C2 ZINC000295266852 498960810 /nfs/dbraw/zinc/96/08/10/498960810.db2.gz LPPNMMDEMFPKPG-ZGQDXXQFSA-N -1 3 351.446 3.360 20 0 FGADHM CC[C@H]1CN(C(=O)c2cc([O-])c3ccccc3c2)C[C@@]2(CCCOC2)O1 ZINC000366523516 498964232 /nfs/dbraw/zinc/96/42/32/498964232.db2.gz BHBVPMDHYBUCCX-LAUBAEHRSA-N -1 3 355.434 3.346 20 0 FGADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NC1(CF)CCC1 ZINC000579235052 506126189 /nfs/dbraw/zinc/12/61/89/506126189.db2.gz VTCXHOROIQLADR-GOSISDBHSA-N -1 3 370.424 3.262 20 0 FGADHM CCOc1cc(C(=O)N2CCN(C3CC3)C[C@H](C)C2)cc(Cl)c1[O-] ZINC000295458050 499023738 /nfs/dbraw/zinc/02/37/38/499023738.db2.gz BSJJUVHPGYTZRR-LBPRGKRZSA-N -1 3 352.862 3.001 20 0 FGADHM CNC(=O)c1ccc(NC(=O)Nc2ccc([O-])c(COC(C)C)c2)cc1 ZINC000573141557 506127191 /nfs/dbraw/zinc/12/71/91/506127191.db2.gz NJIJJZFWNDUHCW-UHFFFAOYSA-N -1 3 357.410 3.321 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N3CCC[C@@H]3[C@@H]3CCCC3=O)c[n-]c12 ZINC000288455090 499029739 /nfs/dbraw/zinc/02/97/39/499029739.db2.gz PPOPVHZIQOIKDL-XJKSGUPXSA-N -1 3 356.397 3.362 20 0 FGADHM CC[C@H](COCC(F)(F)F)NC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000295492401 499033034 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O=C(c1cc(=O)c2ccccc2[n-]1)N1CCC[C@]2(C1)OCc1ccccc12 ZINC000363954764 499066027 /nfs/dbraw/zinc/06/60/27/499066027.db2.gz XRIUCVXAWMFQBM-JOCHJYFZSA-N -1 3 360.413 3.190 20 0 FGADHM [O-]c1ccccc1-c1nc(CSc2ncn(-c3ccccc3)n2)no1 ZINC000364014613 499086510 /nfs/dbraw/zinc/08/65/10/499086510.db2.gz RVSDIISBJJPPDV-UHFFFAOYSA-N -1 3 351.391 3.315 20 0 FGADHM CC(C)(C)C[C@@H](CC(=O)[O-])NCc1cn(-c2ccc(F)cc2Cl)nn1 ZINC000284318407 499088366 /nfs/dbraw/zinc/08/83/66/499088366.db2.gz SWCMOUUPMKTLHU-GFCCVEGCSA-N -1 3 368.840 3.429 20 0 FGADHM CCc1cc(C(=O)N2CC[C@](CO)(Cc3ccc(F)cc3)C2)ccc1[O-] ZINC000291865967 499088771 /nfs/dbraw/zinc/08/87/71/499088771.db2.gz IBGPZQMAHSXKTR-NRFANRHFSA-N -1 3 357.425 3.161 20 0 FGADHM COC(=O)c1ccc(-c2nc(CCCOCc3ccc(OC)cc3)no2)[n-]1 ZINC000291948188 499108897 /nfs/dbraw/zinc/10/88/97/499108897.db2.gz QNJPDLFQRHABMP-UHFFFAOYSA-N -1 3 371.393 3.009 20 0 FGADHM C[C@@]1(C[C@@H]2CCCN2C(=O)Nc2ccc3c(c2)CCC3)NC(=O)[N-]C1=O ZINC000329369325 499110418 /nfs/dbraw/zinc/11/04/18/499110418.db2.gz LMWNVFIGYVJWCE-KXBFYZLASA-N -1 3 356.426 3.205 20 0 FGADHM CC(=O)N1CC[C@](C)(C(=O)Nc2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000366948211 499120854 /nfs/dbraw/zinc/12/08/54/499120854.db2.gz RENIQZJBTUMUEB-NRFANRHFSA-N -1 3 352.434 3.180 20 0 FGADHM C[C@H](c1ncc(-c2ccc(Cl)cc2)o1)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000329453256 499123822 /nfs/dbraw/zinc/12/38/22/499123822.db2.gz PGWYRQUWTLZWMP-MFKMUULPSA-N -1 3 360.801 3.132 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H](N)c3ccc(C)cc3)c2)n1 ZINC000369798180 499130472 /nfs/dbraw/zinc/13/04/72/499130472.db2.gz BNFPXJTXOWKYCF-LJQANCHMSA-N -1 3 362.433 3.359 20 0 FGADHM CN(C(=O)c1ccc(O)cc1[O-])[C@H](c1ccc(F)cc1)c1cccnc1 ZINC000372561753 499146280 /nfs/dbraw/zinc/14/62/80/499146280.db2.gz FNXOTDFMZRSEAX-LJQANCHMSA-N -1 3 352.365 3.494 20 0 FGADHM O=c1nc(CN2C[C@H]3CC[C@@H](C2)O3)[n-]c2sc(-c3ccccc3)cc21 ZINC000372627702 499155570 /nfs/dbraw/zinc/15/55/70/499155570.db2.gz PQDIUIKEPLICEK-OKILXGFUSA-N -1 3 353.447 3.427 20 0 FGADHM O=C(N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1)c1csc(=O)[n-]1 ZINC000370032398 499168871 /nfs/dbraw/zinc/16/88/71/499168871.db2.gz UMNWFGXZVMDEFM-KYZUINATSA-N -1 3 371.231 3.426 20 0 FGADHM CC(C)c1ccc(O[C@@H](C)CNC(=O)c2c[n-]c3ccncc3c2=O)cc1 ZINC000570298615 506136234 /nfs/dbraw/zinc/13/62/34/506136234.db2.gz OKVWYXOYTCQLDO-AWEZNQCLSA-N -1 3 365.433 3.244 20 0 FGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(NC(=O)[C@@H]2C[C@H]2C2CCC2)ccc1F ZINC000576351454 506137023 /nfs/dbraw/zinc/13/70/23/506137023.db2.gz XYJPXHCQRFDJGN-UONOGXRCSA-N -1 3 368.474 3.277 20 0 FGADHM Cc1cc(-n2c([O-])c(CC(F)(F)F)[nH]c2=O)nn1-c1cccc(Cl)c1 ZINC000367665522 499222836 /nfs/dbraw/zinc/22/28/36/499222836.db2.gz MHZGFTUAUIBEIA-NSHDSACASA-N -1 3 372.734 3.211 20 0 FGADHM Cc1ccc2[n-]cc(C(=O)N3CC[C@]4(C3)OCc3ccccc34)c(=O)c2c1 ZINC000367822886 499236246 /nfs/dbraw/zinc/23/62/46/499236246.db2.gz BMDIQUXVWCZZIF-JOCHJYFZSA-N -1 3 360.413 3.108 20 0 FGADHM C[C@@H](NC(=O)NCc1ccc([O-])c(F)c1)c1nccn1-c1ccccc1 ZINC000367897081 499243025 /nfs/dbraw/zinc/24/30/25/499243025.db2.gz QXORZAMZIOGTFW-CYBMUJFWSA-N -1 3 354.385 3.277 20 0 FGADHM Cc1ccc(F)cc1NC(=O)NC1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000370737025 499249869 /nfs/dbraw/zinc/24/98/69/499249869.db2.gz GDSQSSWSCMJPBJ-UHFFFAOYSA-N -1 3 371.412 3.266 20 0 FGADHM C[C@@H]1CCC[C@@H](N(C)C(=O)NC2CCN(C(=O)c3cccc([O-])c3)CC2)C1 ZINC000370740779 499250235 /nfs/dbraw/zinc/25/02/35/499250235.db2.gz OWNOAISYGCXMFT-CRAIPNDOSA-N -1 3 373.497 3.217 20 0 FGADHM Cc1cccc(CN2CCC(NC(=O)c3c(F)ccc([O-])c3F)CC2)c1 ZINC000368015763 499255369 /nfs/dbraw/zinc/25/53/69/499255369.db2.gz DXQKJYPJKPFIDR-UHFFFAOYSA-N -1 3 360.404 3.373 20 0 FGADHM Cc1nc([C@H](NC(=O)c2cc([O-])ccc2Cl)c2ccccc2F)no1 ZINC000368160692 499270246 /nfs/dbraw/zinc/27/02/46/499270246.db2.gz PYOJXMNNMHGBSE-OAHLLOKOSA-N -1 3 361.760 3.396 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N[C@H]3c4ccc(F)cc4O[C@H]3C)c[n-]c12 ZINC000570313165 506140070 /nfs/dbraw/zinc/14/00/70/506140070.db2.gz GQIBCVHBQYOSMK-XTZNXHDOSA-N -1 3 370.355 3.367 20 0 FGADHM C[C@@H]1CCC[C@@H](CC(=O)NC2CCN(C(=O)c3cccc([O-])c3)CC2)C1 ZINC000371252620 499302755 /nfs/dbraw/zinc/30/27/55/499302755.db2.gz DNQCXVIMJYFDIZ-HZPDHXFCSA-N -1 3 358.482 3.329 20 0 FGADHM CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)[N-]OCC(F)(F)F)O[C@@H](C)C2 ZINC000368567118 499308392 /nfs/dbraw/zinc/30/83/92/499308392.db2.gz RLCMACBHAKOIEZ-GAFUQQFSSA-N -1 3 359.344 3.122 20 0 FGADHM O=C(Nc1n[n-]c(-c2ccccc2F)n1)[C@H]1CCN(c2ccccc2F)C1 ZINC000570323214 506141873 /nfs/dbraw/zinc/14/18/73/506141873.db2.gz MWFJIFSAQZLQKE-LBPRGKRZSA-N -1 3 369.375 3.215 20 0 FGADHM CCCN(C(=O)c1csc(=O)[n-]1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000368660810 499319053 /nfs/dbraw/zinc/31/90/53/499319053.db2.gz STGYEUJSAFBTSA-UHFFFAOYSA-N -1 3 373.478 3.006 20 0 FGADHM COCc1nc(C(=O)Nc2cccc(-c3nc(C)cc(=O)[n-]3)c2)cs1 ZINC000368788829 499332663 /nfs/dbraw/zinc/33/26/63/499332663.db2.gz YMMXUFLNZKJBIQ-UHFFFAOYSA-N -1 3 356.407 3.013 20 0 FGADHM O=C([N-]c1ncn(-c2ccccn2)n1)c1cnc(-c2ccccc2F)s1 ZINC000371504236 499335514 /nfs/dbraw/zinc/33/55/14/499335514.db2.gz DGTNULRCYSYARH-UHFFFAOYSA-N -1 3 366.381 3.177 20 0 FGADHM Cc1sc(-c2ccco2)nc1C(=O)N=c1[nH][n-]c(-c2ccncc2)c1C ZINC000368824017 499336724 /nfs/dbraw/zinc/33/67/24/499336724.db2.gz QLZRNLSWEHJTCK-UHFFFAOYSA-N -1 3 365.418 3.479 20 0 FGADHM O=C(Nc1ccc(-c2noc(C(F)F)n2)cc1)c1ccc2n[n-]nc2c1 ZINC000368908555 499345322 /nfs/dbraw/zinc/34/53/22/499345322.db2.gz BPNKKPVZHQFCLT-UHFFFAOYSA-N -1 3 356.292 3.198 20 0 FGADHM O=C(/C=C/c1cncc([O-])c1)N[C@H](c1cccnc1)c1ccc(F)c(F)c1 ZINC000371612185 499347164 /nfs/dbraw/zinc/34/71/64/499347164.db2.gz RLGDYOUIUCTGOY-QLPSFHHPSA-N -1 3 367.355 3.379 20 0 FGADHM CCC(=O)N1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1ccc(SC)cc1[O-] ZINC000368939104 499348806 /nfs/dbraw/zinc/34/88/06/499348806.db2.gz ALCUKNSTPZXNBZ-CVEARBPZSA-N -1 3 362.495 3.120 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)N1CC[C@@H](n2ncc3ccccc32)C1 ZINC000371649903 499350709 /nfs/dbraw/zinc/35/07/09/499350709.db2.gz IQCKQJYUJYMCDC-OAHLLOKOSA-N -1 3 354.385 3.038 20 0 FGADHM O=C(c1c[n-]c2c(F)cc(F)cc2c1=O)N1CC=C(C(F)(F)F)CC1 ZINC000582140870 506143298 /nfs/dbraw/zinc/14/32/98/506143298.db2.gz KMUTYAKGUQYQDA-UHFFFAOYSA-N -1 3 358.266 3.141 20 0 FGADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1Cc1nc(CCC(F)(F)F)no1 ZINC000371915525 499379039 /nfs/dbraw/zinc/37/90/39/499379039.db2.gz NUGWZOIROZNCMS-UHFFFAOYSA-N -1 3 365.315 3.021 20 0 FGADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCC(c2nnc[nH]2)CC1 ZINC000371923028 499380151 /nfs/dbraw/zinc/38/01/51/499380151.db2.gz ACJHXRKYTSXVPD-UHFFFAOYSA-N -1 3 364.405 3.322 20 0 FGADHM CCc1cc2c(CN3CCC(n4cc(C)cn4)CC3)cc(=O)oc2cc1[O-] ZINC000369272795 499386279 /nfs/dbraw/zinc/38/62/79/499386279.db2.gz CWBDZEJFPYCVMQ-UHFFFAOYSA-N -1 3 367.449 3.403 20 0 FGADHM CCCc1nc([C@@H]([N-]S(=O)(=O)CCC(C)C)c2ccccc2)no1 ZINC000369488768 499408195 /nfs/dbraw/zinc/40/81/95/499408195.db2.gz YEKCDBMHVFBWKU-INIZCTEOSA-N -1 3 351.472 3.077 20 0 FGADHM Cc1cncn1C1CCN(C(=O)c2ccc(Br)cc2[O-])CC1 ZINC000372257091 499414197 /nfs/dbraw/zinc/41/41/97/499414197.db2.gz ZTBGKPXWVBXISP-UHFFFAOYSA-N -1 3 364.243 3.137 20 0 FGADHM Cc1cc(C)nc(C2CCN(C(=O)Cc3ccc([O-])cc3Cl)CC2)n1 ZINC000373006695 499447154 /nfs/dbraw/zinc/44/71/54/499447154.db2.gz GHMKNGLTLBPQSH-UHFFFAOYSA-N -1 3 359.857 3.401 20 0 FGADHM O=C(N[C@@H]1CCN(c2c(F)cccc2F)C1)c1cc([O-])ccc1Cl ZINC000373016273 499447546 /nfs/dbraw/zinc/44/75/46/499447546.db2.gz WDOTXESZGKLOOE-SNVBAGLBSA-N -1 3 352.768 3.333 20 0 FGADHM O=C(c1csc(=O)[n-]1)N1CCC[C@@H]1Cc1ccc(Br)cc1 ZINC000373445420 499470021 /nfs/dbraw/zinc/47/00/21/499470021.db2.gz YQQOJWLRXCABKJ-GFCCVEGCSA-N -1 3 367.268 3.459 20 0 FGADHM Cc1cncn1C1CCN(C(=O)c2cc(Br)ccc2[O-])CC1 ZINC000373475762 499472156 /nfs/dbraw/zinc/47/21/56/499472156.db2.gz NFXMAOLWVYPOQN-UHFFFAOYSA-N -1 3 364.243 3.137 20 0 FGADHM Cn1cc(-c2nc([C@H]3CCCCCN3Cc3cc([O-])cc(F)c3)no2)cn1 ZINC000373505753 499473694 /nfs/dbraw/zinc/47/36/94/499473694.db2.gz VLFGXUNXLIUJSW-QGZVFWFLSA-N -1 3 371.416 3.432 20 0 FGADHM O=C(c1csc(=O)[n-]1)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000373587912 499478362 /nfs/dbraw/zinc/47/83/62/499478362.db2.gz ZHEVZUWMKDVJAB-LBPRGKRZSA-N -1 3 358.341 3.081 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)N1CCC[C@]2(C1)OCc1ccccc12 ZINC000373599139 499479087 /nfs/dbraw/zinc/47/90/87/499479087.db2.gz WMCNMKVFIGRKTJ-HXUWFJFHSA-N -1 3 356.397 3.262 20 0 FGADHM CC[C@H]1CN(C(=O)c2cc([O-])ccc2C(F)(F)F)C[C@@]2(CCCOC2)O1 ZINC000373705143 499484208 /nfs/dbraw/zinc/48/42/08/499484208.db2.gz IRDXVHKBZNXNKV-SUMWQHHRSA-N -1 3 373.371 3.211 20 0 FGADHM CCN(C(=O)c1cc(OC)c([O-])c(OC)c1)[C@H]1CCCc2cccnc21 ZINC000375486553 499524788 /nfs/dbraw/zinc/52/47/88/499524788.db2.gz UBKHCEKFSOKCGT-HNNXBMFYSA-N -1 3 356.422 3.344 20 0 FGADHM CC(F)(F)CC[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000379234479 499541622 /nfs/dbraw/zinc/54/16/22/499541622.db2.gz RCODCFKWJWMGLM-UHFFFAOYSA-N -1 3 362.623 3.426 20 0 FGADHM CCOC(=O)c1csc(=N[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)[n-]1 ZINC000379606039 499542264 /nfs/dbraw/zinc/54/22/64/499542264.db2.gz BGQNNERWJGTTLF-GDBMZVCRSA-N -1 3 359.495 3.207 20 0 FGADHM O=S(=O)([N-]C[C@H]1CCCN(Cc2ccccc2)C1)c1ccccc1F ZINC000381141434 499544429 /nfs/dbraw/zinc/54/44/29/499544429.db2.gz DOKUUTFXILXHQL-QGZVFWFLSA-N -1 3 362.470 3.016 20 0 FGADHM CCC(CC)(C[N-]S(=O)(=O)c1ccc(Br)c(F)c1)OC ZINC000383924136 499547080 /nfs/dbraw/zinc/54/70/80/499547080.db2.gz SUHSORPSKKEHHN-UHFFFAOYSA-N -1 3 368.268 3.072 20 0 FGADHM CNC(=O)c1cc([N-]S(=O)(=O)c2c(C)cc(F)cc2C)ccc1Cl ZINC000392178939 499558079 /nfs/dbraw/zinc/55/80/79/499558079.db2.gz ITVRFPVYGZEAGC-UHFFFAOYSA-N -1 3 370.833 3.256 20 0 FGADHM O=C([O-])[C@@H]1[C@H]2CCC[C@H]2CN1Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000392510955 499558904 /nfs/dbraw/zinc/55/89/04/499558904.db2.gz SYEBFVKVVCWJRI-XEZPLFJOSA-N -1 3 351.830 3.186 20 0 FGADHM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1ccc(N2CCCC2=O)cc1 ZINC000393013021 499559740 /nfs/dbraw/zinc/55/97/40/499559740.db2.gz NKJIARLWBKQIHJ-UHFFFAOYSA-N -1 3 362.426 3.370 20 0 FGADHM CC(C)(C)[C@H](CO)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000393933921 499560867 /nfs/dbraw/zinc/56/08/67/499560867.db2.gz XXLLIOJWMWFCNH-NSHDSACASA-N -1 3 359.797 3.044 20 0 FGADHM CSc1ccc(C(=O)N[C@@H](c2nc(C)no2)c2ccccc2)c([O-])c1 ZINC000375954702 499571278 /nfs/dbraw/zinc/57/12/78/499571278.db2.gz NZPXLYOZEFFCNO-MRXNPFEDSA-N -1 3 355.419 3.325 20 0 FGADHM CC(C)(C)[C@H]1CCCN(C(=O)c2ccc([N-]S(C)(=O)=O)cc2)CC1 ZINC000408177916 499579115 /nfs/dbraw/zinc/57/91/15/499579115.db2.gz NRKXEPLDIDCPAU-HNNXBMFYSA-N -1 3 352.500 3.347 20 0 FGADHM O=C(Nc1cc(Cl)c([O-])cc1F)C1CCN(Cc2cccnc2)CC1 ZINC000376305395 499599247 /nfs/dbraw/zinc/59/92/47/499599247.db2.gz ZLLNYKJZBQGPFO-UHFFFAOYSA-N -1 3 363.820 3.430 20 0 FGADHM CN1CCC[C@H](CN=c2[n-]nc(-c3ccon3)s2)[C@H]1c1cccs1 ZINC000376449323 499609626 /nfs/dbraw/zinc/60/96/26/499609626.db2.gz OYHNQXZKUFHTFU-RISCZKNCSA-N -1 3 361.496 3.172 20 0 FGADHM O=S(=O)([N-]CCc1cccc2[nH]ccc21)c1cc(F)cc(Cl)c1 ZINC000409928000 499630160 /nfs/dbraw/zinc/63/01/60/499630160.db2.gz LRABQUQWCHBFBG-UHFFFAOYSA-N -1 3 352.818 3.481 20 0 FGADHM CCCC[C@H](C)C(=O)NCc1cccc(-c2nnc(C(=O)OCC)[n-]2)c1 ZINC000409964712 499632681 /nfs/dbraw/zinc/63/26/81/499632681.db2.gz NUTWNMLJMWXXDQ-ZDUSSCGKSA-N -1 3 358.442 3.091 20 0 FGADHM CCCC[C@H](C)C(=O)NCc1cccc(-c2n[n-]c(C(=O)OCC)n2)c1 ZINC000409964712 499632682 /nfs/dbraw/zinc/63/26/82/499632682.db2.gz NUTWNMLJMWXXDQ-ZDUSSCGKSA-N -1 3 358.442 3.091 20 0 FGADHM COc1cccc(Cc2nnc([N-]C(=O)c3cncnc3C(C)C)s2)c1 ZINC000410295751 499653328 /nfs/dbraw/zinc/65/33/28/499653328.db2.gz CAGJELXIVHHKTN-UHFFFAOYSA-N -1 3 369.450 3.303 20 0 FGADHM CCN(C(=O)[C@@H]1[C@H](C(=O)[O-])C1(C)C)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000579351793 506153978 /nfs/dbraw/zinc/15/39/78/506153978.db2.gz ALEYDEWWZQVULJ-LAVFITLUSA-N -1 3 358.482 3.027 20 0 FGADHM Cc1onc(-c2ccccc2C)c1C(=O)[N-]c1nncn1-c1cccnc1 ZINC000377182981 499668608 /nfs/dbraw/zinc/66/86/08/499668608.db2.gz HNDLECIYOPSFFS-UHFFFAOYSA-N -1 3 360.377 3.186 20 0 FGADHM C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1s[n-]c(=O)c1Cl ZINC000579356187 506154851 /nfs/dbraw/zinc/15/48/51/506154851.db2.gz GIBNEFVKEFQGMS-AAEUAGOBSA-N -1 3 365.886 3.143 20 0 FGADHM CN(C(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])C1CCC(F)(F)CC1 ZINC000377403937 499687303 /nfs/dbraw/zinc/68/73/03/499687303.db2.gz ULSXFXPNLTYBIH-HNNXBMFYSA-N -1 3 366.408 3.033 20 0 FGADHM Cc1cc([C@H](C)N2CCC(OC[C@@H]3CCCCO3)CC2)oc1C(=O)[O-] ZINC000573258985 506155409 /nfs/dbraw/zinc/15/54/09/506155409.db2.gz BLARUVANTZMXGB-HOCLYGCPSA-N -1 3 351.443 3.397 20 0 FGADHM Cc1cncc(-c2cc(NC(=O)c3c[n-]nc3-c3ccc(F)cc3)no2)c1 ZINC000377571010 499705656 /nfs/dbraw/zinc/70/56/56/499705656.db2.gz BTIHEUWMAYSSGV-UHFFFAOYSA-N -1 3 363.352 3.248 20 0 FGADHM C[C@H]1CC(C)(C)CC[C@H]1NC(=O)C(=O)[N-]c1nccn1-c1ccccc1 ZINC000411282761 499721430 /nfs/dbraw/zinc/72/14/30/499721430.db2.gz XZSFWQQJVNOPSX-GOEBONIOSA-N -1 3 354.454 3.142 20 0 FGADHM CC(C)(CO)[C@@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1)c1cccs1 ZINC000576433835 506156926 /nfs/dbraw/zinc/15/69/26/506156926.db2.gz LARJFWPSOISWDH-AWEZNQCLSA-N -1 3 361.435 3.064 20 0 FGADHM O=C(Nc1nnc(-c2ccco2)[n-]1)[C@]1(Cc2cccc(Cl)c2)CCOC1 ZINC000411294915 499722878 /nfs/dbraw/zinc/72/28/78/499722878.db2.gz SNRUGDHLVMSOCR-SFHVURJKSA-N -1 3 372.812 3.306 20 0 FGADHM O=C(Nc1nc(-c2ccco2)n[n-]1)[C@]1(Cc2cccc(Cl)c2)CCOC1 ZINC000411294915 499722880 /nfs/dbraw/zinc/72/28/80/499722880.db2.gz SNRUGDHLVMSOCR-SFHVURJKSA-N -1 3 372.812 3.306 20 0 FGADHM O=C(Nc1n[n-]c(-c2ccco2)n1)[C@]1(Cc2cccc(Cl)c2)CCOC1 ZINC000411294915 499722882 /nfs/dbraw/zinc/72/28/82/499722882.db2.gz SNRUGDHLVMSOCR-SFHVURJKSA-N -1 3 372.812 3.306 20 0 FGADHM CCC[C@H](C)[C@@H]1CCCN1C(=O)C(=O)[N-]c1nccn1-c1ccccc1 ZINC000411416041 499737352 /nfs/dbraw/zinc/73/73/52/499737352.db2.gz NZRCUICCWCIDMJ-RDJZCZTQSA-N -1 3 354.454 3.238 20 0 FGADHM O=C(c1cccs1)N1CCCN(C(=O)c2cc([O-])ccc2Cl)CC1 ZINC000377939784 499749672 /nfs/dbraw/zinc/74/96/72/499749672.db2.gz JRGWMKMYSJJJIL-UHFFFAOYSA-N -1 3 364.854 3.095 20 0 FGADHM C[C@H]1Oc2ccccc2[C@H]1NC(=O)Cc1ccc(Br)cc1[O-] ZINC000573273604 506159291 /nfs/dbraw/zinc/15/92/91/506159291.db2.gz OQEIIEILTUIVTH-QGHHPUGFSA-N -1 3 362.223 3.336 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(CN(C)C)cc2C)c(F)c1 ZINC000414454741 499794413 /nfs/dbraw/zinc/79/44/13/499794413.db2.gz FDFDUKAFCRHMPV-UHFFFAOYSA-N -1 3 352.431 3.005 20 0 FGADHM COC(=O)c1cc([N-]S(=O)(=O)Cc2cc(C)cc(C)c2)c(C)s1 ZINC000414461799 499794932 /nfs/dbraw/zinc/79/49/32/499794932.db2.gz OYOZUYSWYQBGQZ-UHFFFAOYSA-N -1 3 353.465 3.402 20 0 FGADHM Cc1cc(CN(C)C)ccc1[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000414464849 499795486 /nfs/dbraw/zinc/79/54/86/499795486.db2.gz VKXJVLLUTKEOOJ-UHFFFAOYSA-N -1 3 373.400 3.271 20 0 FGADHM Cc1n[nH]c([N-]S(=O)(=O)c2cccc(C(C)C)c2)c1Br ZINC000414470162 499796026 /nfs/dbraw/zinc/79/60/26/499796026.db2.gz KXOWVCRTYVJWLX-UHFFFAOYSA-N -1 3 358.261 3.405 20 0 FGADHM COc1ccc(CN2CCO[C@@H](C3CCC3)C2)c(Br)c1[O-] ZINC000414472029 499796596 /nfs/dbraw/zinc/79/65/96/499796596.db2.gz NISOGNJQDIMKSL-CQSZACIVSA-N -1 3 356.260 3.164 20 0 FGADHM CC(=O)c1ccc(C(=O)Nc2cccc([C@@H](C)N3CCOCC3)c2)cc1[O-] ZINC000412019667 499813605 /nfs/dbraw/zinc/81/36/05/499813605.db2.gz ILHDCHLFQIHXPA-CQSZACIVSA-N -1 3 368.433 3.240 20 0 FGADHM C[C@@H]1CN(Cc2ccccc2CNCc2ccc(C(=O)[O-])cc2)C[C@H](C)O1 ZINC000414635139 499815954 /nfs/dbraw/zinc/81/59/54/499815954.db2.gz GDBMJMUZNLIFHY-CALCHBBNSA-N -1 3 368.477 3.284 20 0 FGADHM CC(C)[C@@H](C(=O)[O-])N1CC[C@@H](NCc2cc(-c3ccccc3)cs2)C1=O ZINC000414655986 499817667 /nfs/dbraw/zinc/81/76/67/499817667.db2.gz KGNHMCQFTQUSPT-MSOLQXFVSA-N -1 3 372.490 3.215 20 0 FGADHM CC(=O)c1ccc(C(=O)N2CCC[C@H]2Cn2cnc3ccccc32)cc1[O-] ZINC000412216892 499834835 /nfs/dbraw/zinc/83/48/35/499834835.db2.gz PAWCATRGTQAIND-INIZCTEOSA-N -1 3 363.417 3.249 20 0 FGADHM CC(=O)c1ccc(C(=O)N[C@H]2CCN(C)[C@H]2c2ccc(Cl)cc2)cc1[O-] ZINC000412215319 499834854 /nfs/dbraw/zinc/83/48/54/499834854.db2.gz HRPCMKPAQQOPST-HKUYNNGSSA-N -1 3 372.852 3.423 20 0 FGADHM CC(=O)c1ccc(C(=O)N[C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)cc1[O-] ZINC000412226769 499836198 /nfs/dbraw/zinc/83/61/98/499836198.db2.gz CPUCCNFVKCIPSK-AEFFLSMTSA-N -1 3 361.344 3.133 20 0 FGADHM CC(=O)c1ccc(C(=O)NC2CCC(C(=O)OC(C)(C)C)CC2)cc1[O-] ZINC000412235465 499836797 /nfs/dbraw/zinc/83/67/97/499836797.db2.gz XKIXGIHZYLOMSH-UHFFFAOYSA-N -1 3 361.438 3.225 20 0 FGADHM COc1ccccc1[C@@H](CNC(=O)c1ccc(C(C)=O)c([O-])c1)OC(C)C ZINC000412264080 499839345 /nfs/dbraw/zinc/83/93/45/499839345.db2.gz ZIHJVWIVXPQRBO-HXUWFJFHSA-N -1 3 371.433 3.500 20 0 FGADHM CC(=O)c1ccc(C(=O)N2CCC[C@@](CO)(Cc3ccccc3)C2)cc1[O-] ZINC000412354608 499848096 /nfs/dbraw/zinc/84/80/96/499848096.db2.gz KCRRJIHQXMPGCC-JOCHJYFZSA-N -1 3 367.445 3.052 20 0 FGADHM CC[C@@H](c1n[n-]c(=NC(=O)N2CC[C@H](C)C[C@@H]2CN)s1)c1ccccc1 ZINC000415161857 499871782 /nfs/dbraw/zinc/87/17/82/499871782.db2.gz JFHGGEKSQCVJRO-NUEKZKHPSA-N -1 3 373.526 3.093 20 0 FGADHM CC[C@@H](NC(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1)[C@@H](O)C(C)C ZINC000412731062 499880097 /nfs/dbraw/zinc/88/00/97/499880097.db2.gz WNDZDLLUWJFQQD-MOPGFXCFSA-N -1 3 355.434 3.149 20 0 FGADHM O=c1cc(CSc2nncn2CCc2cccs2)nc(C2CC2)[n-]1 ZINC000412986729 499902617 /nfs/dbraw/zinc/90/26/17/499902617.db2.gz IHGWCADMFXIWKU-UHFFFAOYSA-N -1 3 359.480 3.248 20 0 FGADHM CC[C@@H](Cc1ccccc1Br)C(=O)Nc1nnc(SC)[n-]1 ZINC000413286600 499937377 /nfs/dbraw/zinc/93/73/77/499937377.db2.gz ZQBBDMVOCQTBSF-VIFPVBQESA-N -1 3 369.288 3.497 20 0 FGADHM CC[C@@H](Cc1ccccc1Br)C(=O)Nc1nc(SC)n[n-]1 ZINC000413286600 499937379 /nfs/dbraw/zinc/93/73/79/499937379.db2.gz ZQBBDMVOCQTBSF-VIFPVBQESA-N -1 3 369.288 3.497 20 0 FGADHM CC[C@@H](Cc1ccccc1Br)C(=O)Nc1n[n-]c(SC)n1 ZINC000413286600 499937381 /nfs/dbraw/zinc/93/73/81/499937381.db2.gz ZQBBDMVOCQTBSF-VIFPVBQESA-N -1 3 369.288 3.497 20 0 FGADHM Cn1[n-]c(=NC(=O)N2CC[C@@H](c3ccccc3)C2(C)C)cc1OC(F)F ZINC000421102247 499955812 /nfs/dbraw/zinc/95/58/12/499955812.db2.gz SUFFGCNJNRYPPG-ZDUSSCGKSA-N -1 3 364.396 3.243 20 0 FGADHM Cc1nn(-c2ccccc2)c2nc(C(=O)Nc3nc(C)ccc3[O-])ccc12 ZINC000570432317 506167277 /nfs/dbraw/zinc/16/72/77/506167277.db2.gz NBLCTNAIFKTLJW-UHFFFAOYSA-N -1 3 359.389 3.390 20 0 FGADHM CCn1ncc2ccc([N-]S(=O)(=O)C[C@H](Cc3ccccc3)OC)cc21 ZINC000421153958 499974276 /nfs/dbraw/zinc/97/42/76/499974276.db2.gz MGHYQXOOBRJHKX-SFHVURJKSA-N -1 3 373.478 3.056 20 0 FGADHM CCOCc1cccc([N-]S(=O)(=O)C[C@H](Cc2ccccc2)OC)c1 ZINC000421157340 499975229 /nfs/dbraw/zinc/97/52/29/499975229.db2.gz RPDPNOUONJPIBL-IBGZPJMESA-N -1 3 363.479 3.223 20 0 FGADHM CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1ccc(C)c(-c2ncco2)c1 ZINC000421157730 499976152 /nfs/dbraw/zinc/97/61/52/499976152.db2.gz RDBVFWKRYACDFB-OAHLLOKOSA-N -1 3 352.456 3.453 20 0 FGADHM CC[C@@H](CS(=O)(=O)[N-]c1cccc(CSC2CCOCC2)c1)OC ZINC000421159861 499976751 /nfs/dbraw/zinc/97/67/51/499976751.db2.gz URDODCSDIJLTMW-INIZCTEOSA-N -1 3 373.540 3.266 20 0 FGADHM CO[C@@H](Cc1ccccc1)CS(=O)(=O)[N-]c1ccc(F)c(F)c1C ZINC000421168788 499981139 /nfs/dbraw/zinc/98/11/39/499981139.db2.gz YYJXAIJXKBXBRX-AWEZNQCLSA-N -1 3 355.406 3.273 20 0 FGADHM CCCc1ccc(-c2cc(=NC(=O)c3c[nH]cc3-c3cnn(C)c3)[nH][n-]2)cc1 ZINC000429067358 499997629 /nfs/dbraw/zinc/99/76/29/499997629.db2.gz IQQWJYXFGKSSLL-UHFFFAOYSA-N -1 3 374.448 3.432 20 0 FGADHM C[C@@H]1CCCN(C(=O)c2cc(=O)c3ccccc3[n-]2)[C@H]1C(=O)OC(C)(C)C ZINC000425038771 500001670 /nfs/dbraw/zinc/00/16/70/500001670.db2.gz MBOOELULTQLXGP-FZKQIMNGSA-N -1 3 370.449 3.111 20 0 FGADHM CC[C@H](NC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O)[C@H]1CC1(C)C ZINC000416270878 500002901 /nfs/dbraw/zinc/00/29/01/500002901.db2.gz AHCIYNHVKLDBBF-SJORKVTESA-N -1 3 368.481 3.014 20 0 FGADHM CN(C(=O)c1ccc([N-]S(C)(=O)=O)cc1)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000416317266 500013550 /nfs/dbraw/zinc/01/35/50/500013550.db2.gz WTNYWKCGVFRYQV-HOTGVXAUSA-N -1 3 352.500 3.345 20 0 FGADHM COc1ccc([C@@H](C)CC[N-]S(=O)(=O)c2cn(C)c(C(C)C)n2)cc1 ZINC000416408026 500038057 /nfs/dbraw/zinc/03/80/57/500038057.db2.gz NKYBPQIQFQLHGJ-AWEZNQCLSA-N -1 3 365.499 3.024 20 0 FGADHM O=C(C[N-]S(=O)(=O)c1cc(F)ccc1Cl)C1CCC(F)(F)CC1 ZINC000425199524 500042089 /nfs/dbraw/zinc/04/20/89/500042089.db2.gz ZOVKBUFIWWUBLY-UHFFFAOYSA-N -1 3 369.792 3.152 20 0 FGADHM CC(C)[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1cn2c(n1)CCC[C@@H]2C ZINC000416473542 500048995 /nfs/dbraw/zinc/04/89/95/500048995.db2.gz PIVUMGIVOGAXMD-QWRGUYRKSA-N -1 3 353.410 3.036 20 0 FGADHM CC[C@@H](C)c1nc([C@@H](C)[N-]S(=O)(=O)c2c(C)cccc2Cl)n[nH]1 ZINC000416471333 500049492 /nfs/dbraw/zinc/04/94/92/500049492.db2.gz PLGGRJOLYVXOET-MWLCHTKSSA-N -1 3 356.879 3.320 20 0 FGADHM CC1(C)C[C@@H](C[N-]S(=O)(=O)c2ccc3ccccc3c2F)CCO1 ZINC000416499933 500052812 /nfs/dbraw/zinc/05/28/12/500052812.db2.gz DNXTXJZJIACPOY-ZDUSSCGKSA-N -1 3 351.443 3.462 20 0 FGADHM CC1(C)C[C@H](C[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)CCO1 ZINC000416501800 500053218 /nfs/dbraw/zinc/05/32/18/500053218.db2.gz JBLPYVRUGNXDDE-SNVBAGLBSA-N -1 3 369.380 3.328 20 0 FGADHM O=S(=O)([N-][C@@H]1C[C@H]2C[C@H]2C1)c1cccc(Br)c1Cl ZINC000425241396 500053240 /nfs/dbraw/zinc/05/32/40/500053240.db2.gz QFVLGWKEACGTCI-AYMMMOKOSA-N -1 3 350.665 3.179 20 0 FGADHM CC1(C)C[C@H](C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CCO1 ZINC000416503520 500053719 /nfs/dbraw/zinc/05/37/19/500053719.db2.gz QECRWJDJXSDQNT-SNVBAGLBSA-N -1 3 352.283 3.477 20 0 FGADHM COCCOc1ccc(F)cc1S(=O)(=O)[N-]CC1(C2CCC2)CCC1 ZINC000416503911 500053997 /nfs/dbraw/zinc/05/39/97/500053997.db2.gz RUMUSAJMTWNCOH-UHFFFAOYSA-N -1 3 371.474 3.100 20 0 FGADHM O=S(=O)([N-][C@@H]1C[C@H]2C[C@H]2C1)c1cccc(Cl)c1Br ZINC000425246699 500055045 /nfs/dbraw/zinc/05/50/45/500055045.db2.gz YLVDEVWSOREXGB-AYMMMOKOSA-N -1 3 350.665 3.179 20 0 FGADHM CCC(C)(C)OCC[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000416523775 500055940 /nfs/dbraw/zinc/05/59/40/500055940.db2.gz KAATVIAUXRSWCP-UHFFFAOYSA-N -1 3 373.368 3.208 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)c1ccn(C)n1 ZINC000416557263 500062729 /nfs/dbraw/zinc/06/27/29/500062729.db2.gz GYQSCBGQEMGCIP-ZETCQYMHSA-N -1 3 368.673 3.420 20 0 FGADHM COc1ccc(Br)c(S(=O)(=O)[N-][C@@]2(C)CC=CCC2)c1 ZINC000416563922 500063522 /nfs/dbraw/zinc/06/35/22/500063522.db2.gz 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/nfs/dbraw/zinc/02/20/88/501022088.db2.gz RCWXJVDJTOJBQM-FNORWQNLSA-N -1 3 371.343 3.083 20 0 FGADHM CC[C@@H](Cc1ccccc1Br)[N-]S(=O)(=O)c1ccco1 ZINC000445737619 501026604 /nfs/dbraw/zinc/02/66/04/501026604.db2.gz YDVXFRLROHIDAE-LBPRGKRZSA-N -1 3 358.257 3.342 20 0 FGADHM CC(C)(C)Oc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)cc1 ZINC000440596124 501027403 /nfs/dbraw/zinc/02/74/03/501027403.db2.gz PZNAPCXUYUTPFC-UHFFFAOYSA-N -1 3 353.378 3.392 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1cn2cc(Cl)cc(Cl)c2n1 ZINC000440732221 501043479 /nfs/dbraw/zinc/04/34/79/501043479.db2.gz QLSJPPPOKQQVEL-UHFFFAOYSA-N -1 3 374.191 3.074 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cn2cc(Cl)cc(Cl)c2n1 ZINC000440732221 501043481 /nfs/dbraw/zinc/04/34/81/501043481.db2.gz QLSJPPPOKQQVEL-UHFFFAOYSA-N -1 3 374.191 3.074 20 0 FGADHM COc1ccc(CN2CC(C)(C)[C@@H]3COC[C@@H]32)c(Br)c1[O-] ZINC000449779736 501084914 /nfs/dbraw/zinc/08/49/14/501084914.db2.gz DXKXGPFLHUOCJA-NEPJUHHUSA-N -1 3 356.260 3.020 20 0 FGADHM O=C(Cc1ccc([O-])c(F)c1)Nc1ccc(NC[C@@H]2CCCO2)c(F)c1 ZINC000449917796 501124949 /nfs/dbraw/zinc/12/49/49/501124949.db2.gz VWCOCSKMYQFIHE-AWEZNQCLSA-N -1 3 362.376 3.443 20 0 FGADHM O=C(CCc1ccc2ccccc2c1[O-])NC[C@@H](CO)Cc1ccccc1 ZINC000449937730 501131313 /nfs/dbraw/zinc/13/13/13/501131313.db2.gz ZLKXGOXWBPMPPF-SFHVURJKSA-N -1 3 363.457 3.445 20 0 FGADHM COc1cc(CN2CCN(C(=O)c3ccc([O-])cc3)CC2)ccc1Cl ZINC000450516170 501141637 /nfs/dbraw/zinc/14/16/37/501141637.db2.gz JXZUMBLCYKYFBC-UHFFFAOYSA-N -1 3 360.841 3.012 20 0 FGADHM CC(C)(C)n1ncnc1CNC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436508077 501143467 /nfs/dbraw/zinc/14/34/67/501143467.db2.gz BSKJLTWFKVHHJG-UHFFFAOYSA-N -1 3 364.449 3.260 20 0 FGADHM CC1(C)C[C@H]1CNC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436526190 501147840 /nfs/dbraw/zinc/14/78/40/501147840.db2.gz PXJCUFDJCARTTE-HKUYNNGSSA-N -1 3 366.461 3.416 20 0 FGADHM Cc1cc2[nH]c(CN3CCN(C(=O)c4ccc([O-])cc4)CC3)cc2c(C)c1 ZINC000436540267 501152005 /nfs/dbraw/zinc/15/20/05/501152005.db2.gz OVHJPMNUYXSARU-UHFFFAOYSA-N -1 3 363.461 3.448 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N2CCC[C@@H](C(F)(F)F)[C@@H]2C)c([O-])c1 ZINC000436549699 501154466 /nfs/dbraw/zinc/15/44/66/501154466.db2.gz VLNNETYNSKJYML-GXTWGEPZSA-N -1 3 372.387 3.010 20 0 FGADHM COc1ccc(C(=O)NCc2nc(-c3ccc(Cl)cc3)no2)c([O-])c1 ZINC000436551534 501155108 /nfs/dbraw/zinc/15/51/08/501155108.db2.gz OIDFQRVSESQCFP-UHFFFAOYSA-N -1 3 359.769 3.034 20 0 FGADHM Cc1ccc(C(=O)N[C@@H]2CCN(c3ccccc3Cl)C2=O)c([O-])c1C ZINC000436553097 501155132 /nfs/dbraw/zinc/15/51/32/501155132.db2.gz GLMLJBMKBHGOPT-OAHLLOKOSA-N -1 3 358.825 3.198 20 0 FGADHM CCOCCCNC(=O)c1cccc(NC(=O)c2cc(CC)ccc2[O-])c1 ZINC000436553116 501155181 /nfs/dbraw/zinc/15/51/81/501155181.db2.gz BNEFZSZKTGQDCJ-UHFFFAOYSA-N -1 3 370.449 3.363 20 0 FGADHM COCCN(Cc1ccccc1)C(=O)c1c[n-]c2c(C)cccc2c1=O ZINC000607715563 506237167 /nfs/dbraw/zinc/23/71/67/506237167.db2.gz WBEVLXASUYKVCW-UHFFFAOYSA-N -1 3 350.418 3.125 20 0 FGADHM O=C(c1ccccc1[O-])N1CCC[C@@H]1C(=O)N1CCc2cc(Cl)ccc21 ZINC000436554907 501156324 /nfs/dbraw/zinc/15/63/24/501156324.db2.gz KNILCPYEBJTVKE-QGZVFWFLSA-N -1 3 370.836 3.240 20 0 FGADHM CC(C)c1ccc(C(=O)N(C)Cc2ccc(S(C)(=O)=O)cc2)c([O-])c1 ZINC000436562238 501158109 /nfs/dbraw/zinc/15/81/09/501158109.db2.gz MTMHTDGHKADWFZ-UHFFFAOYSA-N -1 3 361.463 3.191 20 0 FGADHM CCCCS(=O)(=O)Nc1ccc(NC(=O)c2cc(C)ccc2[O-])cc1 ZINC000436567434 501158430 /nfs/dbraw/zinc/15/84/30/501158430.db2.gz XLCRIRAOGGHEEF-UHFFFAOYSA-N -1 3 362.451 3.495 20 0 FGADHM Cc1ccc(N2CCC(NC(=O)c3cc4c(cc3[O-])CCCC4)CC2)nc1 ZINC000436567913 501158871 /nfs/dbraw/zinc/15/88/71/501158871.db2.gz ZCCMSUARLIKGCD-UHFFFAOYSA-N -1 3 365.477 3.373 20 0 FGADHM NC(=O)CCSc1ccccc1NC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436569642 501159266 /nfs/dbraw/zinc/15/92/66/501159266.db2.gz HEWYNLKSGGKING-UHFFFAOYSA-N -1 3 370.474 3.491 20 0 FGADHM Cc1ccc(C(=O)N2CCC[C@@H](CNC(=O)c3ccccc3)C2)c([O-])c1C ZINC000436573449 501160475 /nfs/dbraw/zinc/16/04/75/501160475.db2.gz CMZRZLZECYWXJO-KRWDZBQOSA-N -1 3 366.461 3.291 20 0 FGADHM C[C@@](O)(CNC(=O)c1cc(Cc2ccccc2)ccc1[O-])C(F)(F)F ZINC000436574851 501160646 /nfs/dbraw/zinc/16/06/46/501160646.db2.gz GXKVNCAILBYNPR-QGZVFWFLSA-N -1 3 353.340 3.026 20 0 FGADHM COC(=O)C[C@H](NC(=O)c1ccc(OC)cc1[O-])c1ccc(Cl)cc1 ZINC000436572966 501160654 /nfs/dbraw/zinc/16/06/54/501160654.db2.gz GFDPEIIDNFIJKY-HNNXBMFYSA-N -1 3 363.797 3.088 20 0 FGADHM CCCC(=O)Nc1ccc(CNC(=O)c2ccc(C(C)=O)c([O-])c2)cc1 ZINC000436578642 501161387 /nfs/dbraw/zinc/16/13/87/501161387.db2.gz RWNLFWLQPGKNKK-UHFFFAOYSA-N -1 3 354.406 3.263 20 0 FGADHM CC(C)OCCN1CCC(NC(=O)c2cc3ccccc3cc2[O-])CC1 ZINC000436579460 501161403 /nfs/dbraw/zinc/16/14/03/501161403.db2.gz ZMFMWNLMXPMPFE-UHFFFAOYSA-N -1 3 356.466 3.165 20 0 FGADHM CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)c2cccc(C)c2[O-])c1 ZINC000436594791 501166123 /nfs/dbraw/zinc/16/61/23/501166123.db2.gz GKLFJRGRFXYURP-CYBMUJFWSA-N -1 3 362.451 3.030 20 0 FGADHM C[C@H](OCc1ccccc1)C(=O)N=c1nc(-c2ccccc2Cl)[n-]n1C ZINC000436601570 501167687 /nfs/dbraw/zinc/16/76/87/501167687.db2.gz IFGJYUNRNVGCDO-ZDUSSCGKSA-N -1 3 370.840 3.101 20 0 FGADHM C[C@H](CNC(=O)c1ccc(Cl)cc1[O-])N1CCc2sccc2C1 ZINC000436602288 501167769 /nfs/dbraw/zinc/16/77/69/501167769.db2.gz LAQBHAWHLRYZGJ-LLVKDONJSA-N -1 3 350.871 3.284 20 0 FGADHM O=C(c1ccc(O)cc1[O-])N1CCc2cc(Br)cc(F)c2C1 ZINC000436608395 501168879 /nfs/dbraw/zinc/16/88/79/501168879.db2.gz UKTHDIMQUAUXFI-UHFFFAOYSA-N -1 3 366.186 3.198 20 0 FGADHM COc1ccc([C@@H](CCO)NC(=O)c2cc3c(cc2[O-])CCCC3)cc1 ZINC000436607709 501169216 /nfs/dbraw/zinc/16/92/16/501169216.db2.gz SGOMCPYCXDPQOP-LJQANCHMSA-N -1 3 355.434 3.133 20 0 FGADHM O=C(Cc1ccccc1)NCCc1nc(-c2ccc([O-])c3ccccc23)no1 ZINC000436611565 501170100 /nfs/dbraw/zinc/17/01/00/501170100.db2.gz LDIQCESEJGDRFX-UHFFFAOYSA-N -1 3 373.412 3.497 20 0 FGADHM COc1cccc(Oc2ncccc2CNC(=O)c2ccc(O)cc2[O-])c1 ZINC000436619834 501170675 /nfs/dbraw/zinc/17/06/75/501170675.db2.gz QQSJTJOFDFZZCN-UHFFFAOYSA-N -1 3 366.373 3.224 20 0 FGADHM Cc1cccc([C@@H](C)CNC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])c1 ZINC000436619343 501170805 /nfs/dbraw/zinc/17/08/05/501170805.db2.gz OWOCIOISGHUAQU-QFBILLFUSA-N -1 3 366.461 3.225 20 0 FGADHM [O-]c1ccc(-c2noc(-c3cncc(N4CCOCC4)c3)n2)c2ccccc12 ZINC000436622406 501172043 /nfs/dbraw/zinc/17/20/43/501172043.db2.gz ZDQAPHNELOVZJJ-UHFFFAOYSA-N -1 3 374.400 3.494 20 0 FGADHM COc1ccc(C(=O)NCc2ccc(OC)c(Br)c2)c([O-])c1 ZINC000436626361 501173149 /nfs/dbraw/zinc/17/31/49/501173149.db2.gz HKNGUXJBXUDXKX-UHFFFAOYSA-N -1 3 366.211 3.102 20 0 FGADHM O=C(N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1)c1c([O-])cccc1O ZINC000436633622 501174749 /nfs/dbraw/zinc/17/47/49/501174749.db2.gz INCULASWLJMTHR-LLVKDONJSA-N -1 3 366.339 3.125 20 0 FGADHM CC(C)c1ccc(C(=O)N2CCN(CCOc3ccccc3)CC2)c([O-])c1 ZINC000436637571 501175559 /nfs/dbraw/zinc/17/55/59/501175559.db2.gz WZLTZAXPSIIUJV-UHFFFAOYSA-N -1 3 368.477 3.352 20 0 FGADHM CC[C@@H]1CCCN1C(=O)C(=O)[N-]c1scc(CC(C)C)c1C(=O)OC ZINC000441832398 501175892 /nfs/dbraw/zinc/17/58/92/501175892.db2.gz DNVZGCGUXVJBLW-CYBMUJFWSA-N -1 3 366.483 3.073 20 0 FGADHM O=C(N[C@H](c1ccccc1F)C1CCCC1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000446878551 501176187 /nfs/dbraw/zinc/17/61/87/501176187.db2.gz ZRZJSXXXOHPKPR-SFHVURJKSA-N -1 3 366.392 3.371 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)Nc2cc(F)ccc2NC(C)C)c([O-])c1 ZINC000436639696 501176196 /nfs/dbraw/zinc/17/61/96/501176196.db2.gz LZMIIYRRKFALSF-UHFFFAOYSA-N -1 3 373.428 3.419 20 0 FGADHM CCOc1ccc(CN2CCN(C(=O)c3ccc(C)c(C)c3[O-])CC2)cc1 ZINC000436639851 501176692 /nfs/dbraw/zinc/17/66/92/501176692.db2.gz FHZDZRRSUJEYJH-UHFFFAOYSA-N -1 3 368.477 3.366 20 0 FGADHM O=C(c1ccccc1[O-])N1CCN(CCCSCc2ccccc2)CC1 ZINC000436649702 501179087 /nfs/dbraw/zinc/17/90/87/501179087.db2.gz PQYZGSFAKLAKLS-UHFFFAOYSA-N -1 3 370.518 3.474 20 0 FGADHM CCO[C@H]1C[C@@H](NC(=O)c2cc(OC)c([O-])c(OC)c2)C1(CC)CC ZINC000436661334 501181627 /nfs/dbraw/zinc/18/16/27/501181627.db2.gz FGLPSXYWDWBISB-CVEARBPZSA-N -1 3 351.443 3.123 20 0 FGADHM CC(=O)c1ccc(C(=O)N2CCO[C@@H](CCc3ccccc3)C2)cc1[O-] ZINC000436670941 501184293 /nfs/dbraw/zinc/18/42/93/501184293.db2.gz IFNGZQXCSQIURD-SFHVURJKSA-N -1 3 353.418 3.069 20 0 FGADHM CCOc1nc2cc(C(=O)N(CCOC)Cc3cccs3)ccc2[n-]1 ZINC000450115955 501185320 /nfs/dbraw/zinc/18/53/20/501185320.db2.gz QLDMAKGGYLQQRI-UHFFFAOYSA-N -1 3 359.451 3.312 20 0 FGADHM CCOc1nc2ccc(C(=O)N(CCOC)Cc3cccs3)cc2[n-]1 ZINC000450115955 501185323 /nfs/dbraw/zinc/18/53/23/501185323.db2.gz QLDMAKGGYLQQRI-UHFFFAOYSA-N -1 3 359.451 3.312 20 0 FGADHM CN(CCN(C)C(=O)CCc1ccc2ccccc2c1[O-])CC(F)F ZINC000450688078 501185816 /nfs/dbraw/zinc/18/58/16/501185816.db2.gz FKOFAENOUVKYIS-UHFFFAOYSA-N -1 3 350.409 3.133 20 0 FGADHM O=C(NC[C@H](c1cccc(Cl)c1)N1CCCC1)c1ccc(O)cc1[O-] ZINC000436675531 501186031 /nfs/dbraw/zinc/18/60/31/501186031.db2.gz ZZKLSZWXMHTGKT-QGZVFWFLSA-N -1 3 360.841 3.318 20 0 FGADHM COc1cccc(C(=O)NCc2c(OC)cccc2OC(F)(F)F)c1[O-] ZINC000436678827 501186202 /nfs/dbraw/zinc/18/62/02/501186202.db2.gz CWIBAURHSUYXDS-UHFFFAOYSA-N -1 3 371.311 3.238 20 0 FGADHM CC1CCN([C@H](CNC(=O)c2ccc(O)cc2[O-])c2cccs2)CC1 ZINC000436675794 501186302 /nfs/dbraw/zinc/18/63/02/501186302.db2.gz XVHCTWHSMJEOCI-MRXNPFEDSA-N -1 3 360.479 3.362 20 0 FGADHM CC(C)[C@H](CC1CCCCC1)C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000436678613 501186337 /nfs/dbraw/zinc/18/63/37/501186337.db2.gz HHBVOUSAXICFGS-IBGZPJMESA-N -1 3 360.498 3.481 20 0 FGADHM NC(=O)C[C@@H](NC(=O)c1cc(Cc2ccccc2)ccc1[O-])c1ccccc1 ZINC000436682379 501187218 /nfs/dbraw/zinc/18/72/18/501187218.db2.gz VCUKUAKDNBUCSA-HXUWFJFHSA-N -1 3 374.440 3.330 20 0 FGADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2ccc(F)c3cccnc23)CC1 ZINC000436693697 501189978 /nfs/dbraw/zinc/18/99/78/501189978.db2.gz CSPCXEPWIOFQLN-UHFFFAOYSA-N -1 3 365.408 3.038 20 0 FGADHM Cc1ccc(C(=O)N2CCN([C@H](C)c3ccc(F)cc3F)CC2)c([O-])c1 ZINC000436692322 501190138 /nfs/dbraw/zinc/19/01/38/501190138.db2.gz WVOGOZYQMTYPPS-CQSZACIVSA-N -1 3 360.404 3.498 20 0 FGADHM CCOc1cccc([C@H]2C[C@@H]2NC(=O)c2cc(NC(C)=O)ccc2[O-])c1 ZINC000436695313 501190776 /nfs/dbraw/zinc/19/07/76/501190776.db2.gz DDEPTMAOFVVFPS-AEFFLSMTSA-N -1 3 354.406 3.035 20 0 FGADHM CC(C)c1ccc(C(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)c([O-])c1 ZINC000436705266 501192537 /nfs/dbraw/zinc/19/25/37/501192537.db2.gz RKSUXWBGZFPFBP-IBGZPJMESA-N -1 3 368.477 3.146 20 0 FGADHM CC(C)CC1(CNC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)CCC1 ZINC000436713412 501194612 /nfs/dbraw/zinc/19/46/12/501194612.db2.gz JLZFMGHCADFPBM-UHFFFAOYSA-N -1 3 373.497 3.076 20 0 FGADHM CC(C)c1ccc(C(=O)N2CCC(CCN3CCOCC3)CC2)c([O-])c1 ZINC000436712756 501194694 /nfs/dbraw/zinc/19/46/94/501194694.db2.gz CCUVHWQLILUMIQ-UHFFFAOYSA-N -1 3 360.498 3.090 20 0 FGADHM COc1ccc([O-])c(C(=O)N2CCC[C@@H]2c2cc(OC)ccc2OC)c1 ZINC000436719400 501196089 /nfs/dbraw/zinc/19/60/89/501196089.db2.gz APPSSEBOARRPRZ-QGZVFWFLSA-N -1 3 357.406 3.395 20 0 FGADHM C[C@H](NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F)c1ccc(F)cc1 ZINC000442102069 501197180 /nfs/dbraw/zinc/19/71/80/501197180.db2.gz VUZJZLYLSYJCBP-NSHDSACASA-N -1 3 374.840 3.247 20 0 FGADHM CCc1ccc(CN(C)C(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])cc1 ZINC000436728721 501198459 /nfs/dbraw/zinc/19/84/59/501198459.db2.gz BZEMSWHVNJWAEN-LJQANCHMSA-N -1 3 366.461 3.218 20 0 FGADHM CC[C@@H](C)c1nc([C@H](C)NC(=O)c2cc(Br)ccc2[O-])n[nH]1 ZINC000436728913 501198478 /nfs/dbraw/zinc/19/84/78/501198478.db2.gz DIXIILRWODCBLP-BDAKNGLRSA-N -1 3 367.247 3.277 20 0 FGADHM COCCc1cc(NC(=O)CCc2ccc3ccccc3c2[O-])n(C)n1 ZINC000450165035 501198760 /nfs/dbraw/zinc/19/87/60/501198760.db2.gz XDHFYYPWMDNDFK-UHFFFAOYSA-N -1 3 353.422 3.039 20 0 FGADHM CC(C)[C@H]1CN(C(=O)c2cc(OCc3ccccc3)ccc2[O-])CCN1C ZINC000436730194 501198967 /nfs/dbraw/zinc/19/89/67/501198967.db2.gz VRQQSQMDZJPKFB-HXUWFJFHSA-N -1 3 368.477 3.383 20 0 FGADHM C[C@@H]1CN(C(=O)C(C)(C)C)C[C@H](C)N1C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000436742437 501201982 /nfs/dbraw/zinc/20/19/82/501201982.db2.gz WIUACVBRFWNFJQ-GASCZTMLSA-N -1 3 372.509 3.379 20 0 FGADHM COc1cc(C)cc(C(=O)Nc2ccc3c(cc(C)c(=O)n3C)c2)c1[O-] ZINC000436741111 501202474 /nfs/dbraw/zinc/20/24/74/501202474.db2.gz RZPORIGRPWYAFZ-UHFFFAOYSA-N -1 3 352.390 3.122 20 0 FGADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N[C@H]1CC[C@H](F)C1 ZINC000436746738 501203307 /nfs/dbraw/zinc/20/33/07/501203307.db2.gz ZOKJNNURHWJQFB-LNLFQRSKSA-N -1 3 370.424 3.260 20 0 FGADHM COc1ccc(NC(=O)c2cc(C)cc(OC)c2[O-])cc1N1CCCC1=O ZINC000436758846 501205942 /nfs/dbraw/zinc/20/59/42/501205942.db2.gz ZVCGMDYOFQWFSB-UHFFFAOYSA-N -1 3 370.405 3.097 20 0 FGADHM CCc1noc(CC)c1C[N-]S(=O)(=O)Cc1cc(Cl)ccc1OC ZINC000447145246 501209268 /nfs/dbraw/zinc/20/92/68/501209268.db2.gz GFSKJCNTDFNPLX-UHFFFAOYSA-N -1 3 372.874 3.081 20 0 FGADHM Cc1c(F)cccc1NC(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436773603 501209468 /nfs/dbraw/zinc/20/94/68/501209468.db2.gz SOLOVXHQSAANJU-UHFFFAOYSA-N -1 3 371.412 3.266 20 0 FGADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N[C@@H]1CCC[C@@H]1F ZINC000436776242 501209624 /nfs/dbraw/zinc/20/96/24/501209624.db2.gz IAOPIYZVQSZTEL-IPMKNSEASA-N -1 3 370.424 3.260 20 0 FGADHM C[C@@H]1C[C@H](NC(=O)c2cc(Br)cc(Cl)c2[O-])CCN1C ZINC000436773213 501209772 /nfs/dbraw/zinc/20/97/72/501209772.db2.gz QFUPTXCRJYGJCG-PSASIEDQSA-N -1 3 361.667 3.021 20 0 FGADHM COCCN(C(=O)c1cc(OC)c([O-])c(OC)c1)[C@@H](C)c1ccccc1 ZINC000436782634 501210651 /nfs/dbraw/zinc/21/06/51/501210651.db2.gz OKGVOAVXUWCVPC-AWEZNQCLSA-N -1 3 359.422 3.259 20 0 FGADHM C[C@@H]1C[C@@H]1N1CCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C[C@@H](C)C1 ZINC000436790644 501211971 /nfs/dbraw/zinc/21/19/71/501211971.db2.gz HDJFSDNWNSFPAX-ZOWXZIJZSA-N -1 3 356.388 3.213 20 0 FGADHM COC(=O)[C@@H](NC(=O)c1ccc(OC)cc1[O-])c1ccc2ccccc2c1 ZINC000436789141 501212008 /nfs/dbraw/zinc/21/20/08/501212008.db2.gz CQCDPFOJVYUUFI-IBGZPJMESA-N -1 3 365.385 3.198 20 0 FGADHM CC(C)c1ccc(C(=O)NC2CCN(C(=O)CC(F)(F)F)CC2)c([O-])c1 ZINC000436796932 501212794 /nfs/dbraw/zinc/21/27/94/501212794.db2.gz YCJGWSJAUDLJJM-UHFFFAOYSA-N -1 3 372.387 3.189 20 0 FGADHM Cc1ccc(C(=O)N[C@@H](c2ccn(C)n2)c2ccc(F)cc2)c([O-])c1C ZINC000436804666 501214020 /nfs/dbraw/zinc/21/40/20/501214020.db2.gz BXHFPJRRNQVIJS-GOSISDBHSA-N -1 3 353.397 3.401 20 0 FGADHM CC(=O)c1[n-]c(=NCc2ccc(C(=O)N3CCCCC3)cc2)sc1C ZINC000450227557 501214261 /nfs/dbraw/zinc/21/42/61/501214261.db2.gz JPXVPJWWLSTWES-UHFFFAOYSA-N -1 3 357.479 3.314 20 0 FGADHM CCN(C(=O)CCNC(=O)c1ccc(C)cc1[O-])[C@@H](C)Cc1ccsc1 ZINC000436839253 501219591 /nfs/dbraw/zinc/21/95/91/501219591.db2.gz NUFCKNGFWWHZNS-HNNXBMFYSA-N -1 3 374.506 3.362 20 0 FGADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)N[C@@H]1CCc2ccc(F)cc21 ZINC000592782826 506241494 /nfs/dbraw/zinc/24/14/94/506241494.db2.gz ZHCKHQXGGRKVLB-OAHLLOKOSA-N -1 3 366.396 3.108 20 0 FGADHM CCc1ccc(C(=O)Nc2ccc(OC3CCN(C)CC3)nc2)c([O-])c1 ZINC000436840532 501219659 /nfs/dbraw/zinc/21/96/59/501219659.db2.gz XFSIFODHCSULRV-UHFFFAOYSA-N -1 3 355.438 3.075 20 0 FGADHM COc1cccc(C(=O)NC[C@H](OC(C)C)c2ccccc2OC)c1[O-] ZINC000436861752 501223142 /nfs/dbraw/zinc/22/31/42/501223142.db2.gz FOCKPYBBKKDLCX-SFHVURJKSA-N -1 3 359.422 3.306 20 0 FGADHM COc1ccc(C(=O)NC[C@H](OC(C)C)c2ccccc2OC)c([O-])c1 ZINC000436865657 501224085 /nfs/dbraw/zinc/22/40/85/501224085.db2.gz VEIAJDAYUHXPSR-IBGZPJMESA-N -1 3 359.422 3.306 20 0 FGADHM Cc1ccc(Br)cc1CN1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000450901217 501227120 /nfs/dbraw/zinc/22/71/20/501227120.db2.gz HVDCDAMIWMCCRN-LLVKDONJSA-N -1 3 352.232 3.226 20 0 FGADHM Cn1[n-]c([C@@H]2CCCN2CCCOc2cccc(C(C)(C)C)c2)nc1=N ZINC000450907292 501227571 /nfs/dbraw/zinc/22/75/71/501227571.db2.gz FUIQACNPKFVCLM-KRWDZBQOSA-N -1 3 357.502 3.131 20 0 FGADHM CCC[C@H](NC(=O)[C@H](C)N1CCC(c2n[n-]c(=O)o2)CC1)c1ccccc1 ZINC000450913465 501228915 /nfs/dbraw/zinc/22/89/15/501228915.db2.gz JGLJKULRVCRASG-YOEHRIQHSA-N -1 3 372.469 3.001 20 0 FGADHM COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)c2ccc([O-])c(C)c2)C1 ZINC000436899228 501229484 /nfs/dbraw/zinc/22/94/84/501229484.db2.gz CKDCUMFZCYKCPQ-OAHLLOKOSA-N -1 3 360.841 3.371 20 0 FGADHM Cn1cc(CN(Cc2ccc(Cl)cc2)C(=O)c2ccc(O)cc2[O-])cn1 ZINC000436903734 501230379 /nfs/dbraw/zinc/23/03/79/501230379.db2.gz IUESAPBYYITJGT-UHFFFAOYSA-N -1 3 371.824 3.327 20 0 FGADHM COc1cccc(C(=O)Nc2cccc(NC(=O)c3ccncc3)c2)c1[O-] ZINC000436910693 501231273 /nfs/dbraw/zinc/23/12/73/501231273.db2.gz RDEQGRYJBLWPDZ-UHFFFAOYSA-N -1 3 363.373 3.300 20 0 FGADHM CCc1nnc([C@H](C)NC(=O)c2cc(OCc3ccccc3)ccc2[O-])[nH]1 ZINC000436910227 501231309 /nfs/dbraw/zinc/23/13/09/501231309.db2.gz OZBVGEDAMSVUBB-ZDUSSCGKSA-N -1 3 366.421 3.143 20 0 FGADHM O=c1ccccn1CCCc1noc(-c2cc3c(cc2[O-])CCCC3)n1 ZINC000436919923 501232823 /nfs/dbraw/zinc/23/28/23/501232823.db2.gz PRUYZGGTXGESGF-UHFFFAOYSA-N -1 3 351.406 3.116 20 0 FGADHM COc1cccc(C(=O)Nc2ccc(NC(=O)c3ccccc3)nc2)c1[O-] ZINC000436919836 501232850 /nfs/dbraw/zinc/23/28/50/501232850.db2.gz MULWEFPRFMOPLK-UHFFFAOYSA-N -1 3 363.373 3.300 20 0 FGADHM CCN(CC)C(=O)COc1cccc(NC(=O)c2ccc([O-])c(C)c2)c1 ZINC000436925551 501233638 /nfs/dbraw/zinc/23/36/38/501233638.db2.gz BYNLDZKXZSMSQI-UHFFFAOYSA-N -1 3 356.422 3.200 20 0 FGADHM CCc1noc(-c2ccc(CCNC(=O)c3ccc([O-])c(C)c3)cc2)n1 ZINC000436925563 501233742 /nfs/dbraw/zinc/23/37/42/501233742.db2.gz GZFHRSDIOZYOAX-UHFFFAOYSA-N -1 3 351.406 3.286 20 0 FGADHM COC(=O)c1ncccc1S(=O)(=O)[N-][C@H](C)c1ccc(C(C)C)cc1 ZINC000450989365 501237341 /nfs/dbraw/zinc/23/73/41/501237341.db2.gz QWIKVRZZXKYFBC-CYBMUJFWSA-N -1 3 362.451 3.031 20 0 FGADHM CN(C)CCOc1ccc([N-]S(=O)(=O)c2sccc2Cl)cc1 ZINC000451010938 501238878 /nfs/dbraw/zinc/23/88/78/501238878.db2.gz RMWIPZBQZHAFRG-UHFFFAOYSA-N -1 3 360.888 3.143 20 0 FGADHM Cc1csc(S(=O)(=O)[N-]C2(c3noc(C)n3)CCCCCC2)c1 ZINC000451034640 501240953 /nfs/dbraw/zinc/24/09/53/501240953.db2.gz DHZIWUKIPQLIMZ-UHFFFAOYSA-N -1 3 355.485 3.276 20 0 FGADHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-][C@@H](CC)c1cccs1 ZINC000451096236 501245349 /nfs/dbraw/zinc/24/53/49/501245349.db2.gz LWPVDURVNAITGH-ONGXEEELSA-N -1 3 373.418 3.003 20 0 FGADHM CO[C@H](C[N-]S(=O)(=O)C[C@@H]1CCCC1(F)F)c1ccc(Cl)cc1 ZINC000451242636 501254345 /nfs/dbraw/zinc/25/43/45/501254345.db2.gz JFVZMISJRLZMSS-GXTWGEPZSA-N -1 3 367.845 3.382 20 0 FGADHM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)C[C@H]2CCCCC2(F)F)o1 ZINC000451240990 501254374 /nfs/dbraw/zinc/25/43/74/501254374.db2.gz JINHBFZXUKLWOZ-TZMCWYRMSA-N -1 3 365.442 3.274 20 0 FGADHM CO[C@H](C[N-]S(=O)(=O)C[C@H]1CCCCC1(F)F)c1ccc(F)cc1 ZINC000451264186 501256191 /nfs/dbraw/zinc/25/61/91/501256191.db2.gz SFTCZTJSZWCKFD-UKRRQHHQSA-N -1 3 365.417 3.258 20 0 FGADHM O=C(Cc1ccc([O-])c(F)c1)N1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000451284837 501257298 /nfs/dbraw/zinc/25/72/98/501257298.db2.gz KBEMXUIWQHGOGI-UHFFFAOYSA-N -1 3 359.372 3.334 20 0 FGADHM COCCN(C(=O)CCc1ccc2ccccc2c1[O-])[C@@H]1CCO[C@@H]1C ZINC000451471156 501300514 /nfs/dbraw/zinc/30/05/14/501300514.db2.gz OWUMXUPCDKKVMI-DNVCBOLYSA-N -1 3 357.450 3.130 20 0 FGADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)[C@]3(C)CC=CCC3)c2)[n-]1 ZINC000451487059 501304465 /nfs/dbraw/zinc/30/44/65/501304465.db2.gz FTXYLUXMIYJWIF-HXUWFJFHSA-N -1 3 368.437 3.011 20 0 FGADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)[C@]3(C)CC=CCC3)c2)n[n-]1 ZINC000451487059 501304466 /nfs/dbraw/zinc/30/44/66/501304466.db2.gz FTXYLUXMIYJWIF-HXUWFJFHSA-N -1 3 368.437 3.011 20 0 FGADHM Cc1cccnc1CC[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000451810677 501377039 /nfs/dbraw/zinc/37/70/39/501377039.db2.gz ANJSAHJJUANZQZ-UHFFFAOYSA-N -1 3 362.348 3.069 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2C[C@]2(C)C(C)C)c1 ZINC000458127791 501377128 /nfs/dbraw/zinc/37/71/28/501377128.db2.gz MOMZTWSBOTUGBZ-VQIMIIECSA-N -1 3 357.410 3.105 20 0 FGADHM CCc1ncc(C[N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)o1 ZINC000451958768 501408346 /nfs/dbraw/zinc/40/83/46/501408346.db2.gz LWXSAXKYFUTWIR-UHFFFAOYSA-N -1 3 368.764 3.388 20 0 FGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]CCC[C@@H]2CCOC2)c1Cl ZINC000452012064 501418648 /nfs/dbraw/zinc/41/86/48/501418648.db2.gz FAQJQRFBONPCCQ-LLVKDONJSA-N -1 3 352.283 3.397 20 0 FGADHM CCOc1nc2cc(C(=O)N(C)C[C@H](C)C(=O)OC(C)(C)C)ccc2[n-]1 ZINC000458380532 501431771 /nfs/dbraw/zinc/43/17/71/501431771.db2.gz DJKFVDQBPXFCPJ-LBPRGKRZSA-N -1 3 361.442 3.011 20 0 FGADHM CCOc1nc2ccc(C(=O)N(C)C[C@H](C)C(=O)OC(C)(C)C)cc2[n-]1 ZINC000458380532 501431772 /nfs/dbraw/zinc/43/17/72/501431772.db2.gz DJKFVDQBPXFCPJ-LBPRGKRZSA-N -1 3 361.442 3.011 20 0 FGADHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-][C@H](C)c1cccc(C)c1 ZINC000452097917 501434709 /nfs/dbraw/zinc/43/47/09/501434709.db2.gz FFQDXSVZQNVBDU-LLVKDONJSA-N -1 3 351.424 3.031 20 0 FGADHM O=c1nc(CN2CC[C@@H](CCCO)C2)[n-]c2scc(-c3ccco3)c21 ZINC000452114165 501437916 /nfs/dbraw/zinc/43/79/16/501437916.db2.gz AIDWSDJCUOPGMB-GFCCVEGCSA-N -1 3 359.451 3.251 20 0 FGADHM COc1cc(C(=O)N[C@H]2CCCc3c(F)cc(F)cc32)cc(OC)c1[O-] ZINC000452186081 501456772 /nfs/dbraw/zinc/45/67/72/501456772.db2.gz DGPQOEWQPVKAGH-HNNXBMFYSA-N -1 3 363.360 3.495 20 0 FGADHM COc1cc(C(=O)N[C@@H]2CCO[C@H](c3cccs3)C2)cc(OC)c1[O-] ZINC000456531177 501543210 /nfs/dbraw/zinc/54/32/10/501543210.db2.gz JGUNRCJEFLVRSL-OLZOCXBDSA-N -1 3 363.435 3.121 20 0 FGADHM COc1cc2c(cc1F)[n-]cc(C(=O)NC[C@@H]1CCCCC1(F)F)c2=O ZINC000452713771 501550298 /nfs/dbraw/zinc/55/02/98/501550298.db2.gz LZYSLNBGAWYKJV-JTQLQIEISA-N -1 3 368.355 3.231 20 0 FGADHM C[C@H]1CN(CC(F)(F)F)CCN(C(=O)c2ccc3c(c2[O-])CCCC3)C1 ZINC000456665647 501570254 /nfs/dbraw/zinc/57/02/54/501570254.db2.gz VIKRKRYQXIGUCY-ZDUSSCGKSA-N -1 3 370.415 3.227 20 0 FGADHM CO[C@H]1CCN(C(=O)c2cc(OCc3ccccc3)ccc2[O-])C[C@H]1C ZINC000452890419 501581205 /nfs/dbraw/zinc/58/12/05/501581205.db2.gz QKKJFZIJWOWWGE-QRWLVFNGSA-N -1 3 355.434 3.468 20 0 FGADHM O=C(CNC(=O)c1cccc([O-])c1)NC[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000456734577 501589009 /nfs/dbraw/zinc/58/90/09/501589009.db2.gz CZUSOVIBMYRXCE-ICSRJNTNSA-N -1 3 366.461 3.212 20 0 FGADHM Cc1cc(F)ccc1[C@H]1CCCN1C(=O)c1cnc2c(cnn2C)c1[O-] ZINC000456839523 501608291 /nfs/dbraw/zinc/60/82/91/501608291.db2.gz JXOWMRRMVMOBHJ-MRXNPFEDSA-N -1 3 354.385 3.099 20 0 FGADHM CCOc1cc2c(cc1OCC)CN(Cc1cc(=O)[n-]c(C3CC3)n1)CC2 ZINC000459284690 501625118 /nfs/dbraw/zinc/62/51/18/501625118.db2.gz FXIZFVDGTZBSFF-UHFFFAOYSA-N -1 3 369.465 3.415 20 0 FGADHM Cc1csc([C@@H]2CN(Cc3cc(=O)[n-]c(-c4ccccc4)n3)CCO2)n1 ZINC000459331435 501632195 /nfs/dbraw/zinc/63/21/95/501632195.db2.gz VDTBPITWQYQXJR-INIZCTEOSA-N -1 3 368.462 3.188 20 0 FGADHM Cn1nccc1[C@@H]1CCCN(Cc2cccc([O-])c2Br)C1 ZINC000459331501 501632857 /nfs/dbraw/zinc/63/28/57/501632857.db2.gz UGMYHJKBTMTOKK-GFCCVEGCSA-N -1 3 350.260 3.268 20 0 FGADHM [O-]c1cccc(CN2CCC[C@H]2[C@@H](O)C(F)(F)F)c1Br ZINC000459338960 501634380 /nfs/dbraw/zinc/63/43/80/501634380.db2.gz SOLFGWSKPLCSLY-JOYOIKCWSA-N -1 3 354.166 3.042 20 0 FGADHM CCOc1cc(CN(C)CC(=O)NCc2ccccc2)cc(Cl)c1[O-] ZINC000459350944 501637323 /nfs/dbraw/zinc/63/73/23/501637323.db2.gz UCIHVOSVJNYUGX-UHFFFAOYSA-N -1 3 362.857 3.193 20 0 FGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N(C)C2CC(C)(C)C2)cc1OC ZINC000459363278 501639759 /nfs/dbraw/zinc/63/97/59/501639759.db2.gz ZAMLBFAPPAFSJJ-UHFFFAOYSA-N -1 3 369.487 3.109 20 0 FGADHM O=c1cc(CN2CCN(Cc3ccccc3Cl)CC2)nc(C2CC2)[n-]1 ZINC000459367262 501640159 /nfs/dbraw/zinc/64/01/59/501640159.db2.gz OLVUSZVHWHWOEM-UHFFFAOYSA-N -1 3 358.873 3.031 20 0 FGADHM CCOc1cc(CN2CCNC(=O)[C@@H]2c2cccs2)cc(Cl)c1[O-] ZINC000459385992 501644004 /nfs/dbraw/zinc/64/40/04/501644004.db2.gz ZWWKELZYKBKBLH-HNNXBMFYSA-N -1 3 366.870 3.179 20 0 FGADHM [O-]c1cccc(CNCCN2CCc3ccccc3C2)c1Br ZINC000459387224 501644379 /nfs/dbraw/zinc/64/43/79/501644379.db2.gz KDMRVPQUHDQSGP-UHFFFAOYSA-N -1 3 361.283 3.303 20 0 FGADHM CC[C@@H](NCc1cc(=O)[n-]c(-c2ccccc2)n1)c1c(C)nn(C)c1C ZINC000459403165 501647312 /nfs/dbraw/zinc/64/73/12/501647312.db2.gz KXPPQPHSEJMPKI-QGZVFWFLSA-N -1 3 351.454 3.440 20 0 FGADHM O=c1cc(CN2CCC(n3ccc(C(F)(F)F)n3)CC2)nc(C2CC2)[n-]1 ZINC000459409604 501648917 /nfs/dbraw/zinc/64/89/17/501648917.db2.gz YXNNRODWDFHKTM-UHFFFAOYSA-N -1 3 367.375 3.112 20 0 FGADHM COc1cccc(C2(NCc3cc(=O)[n-]c(C4CC4)n3)CCOCC2)c1F ZINC000459431298 501652977 /nfs/dbraw/zinc/65/29/77/501652977.db2.gz RHFSVEPLWHNSJQ-UHFFFAOYSA-N -1 3 373.428 3.003 20 0 FGADHM C[C@H](NCc1cccc([O-])c1Br)[C@@H](O)Cc1ccccc1 ZINC000459443690 501655192 /nfs/dbraw/zinc/65/51/92/501655192.db2.gz FAXWFROGGVLWPS-LRDDRELGSA-N -1 3 350.256 3.236 20 0 FGADHM [O-]c1cccc(CN[C@H]2CCO[C@]3(CCSC3)C2)c1Br ZINC000459456221 501657013 /nfs/dbraw/zinc/65/70/13/501657013.db2.gz ZIUXLPWUYCWKSY-SWLSCSKDSA-N -1 3 358.301 3.299 20 0 FGADHM CCOc1cc(CN2CCO[C@@H](C(C)C)C2)cc(Br)c1[O-] ZINC000459473841 501659649 /nfs/dbraw/zinc/65/96/49/501659649.db2.gz YRKPEOSZXUVWAH-OAHLLOKOSA-N -1 3 358.276 3.410 20 0 FGADHM CC(=O)N(C[C@H]1CCCN1Cc1cccc([O-])c1Br)C1CC1 ZINC000459513280 501667445 /nfs/dbraw/zinc/66/74/45/501667445.db2.gz OEUHNBZXSNNDIE-OAHLLOKOSA-N -1 3 367.287 3.130 20 0 FGADHM [O-]c1cccc(CN2CCC[C@@](O)(C(F)(F)F)CC2)c1Br ZINC000459547131 501674250 /nfs/dbraw/zinc/67/42/50/501674250.db2.gz ODZSATOOGJPODV-ZDUSSCGKSA-N -1 3 368.193 3.434 20 0 FGADHM Cc1c(NCc2cccc([O-])c2Br)cnn1[C@H]1CCOC1 ZINC000459570663 501678645 /nfs/dbraw/zinc/67/86/45/501678645.db2.gz MUWVKENFPFLMHZ-LBPRGKRZSA-N -1 3 352.232 3.233 20 0 FGADHM CCc1cccc(N(C)C(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])c1 ZINC000457325765 501682352 /nfs/dbraw/zinc/68/23/52/501682352.db2.gz KWTGZILIASNQBK-SFHVURJKSA-N -1 3 352.434 3.222 20 0 FGADHM CCOc1cc(CN2CC(OCC(F)F)C2)cc(Br)c1[O-] ZINC000459588756 501682426 /nfs/dbraw/zinc/68/24/26/501682426.db2.gz HWWLIASPEJSRHS-UHFFFAOYSA-N -1 3 366.202 3.019 20 0 FGADHM CCOc1cc(CN2CC3(C2)CCCOC3)cc(Br)c1[O-] ZINC000459602349 501685440 /nfs/dbraw/zinc/68/54/40/501685440.db2.gz FJWJCHOXRKYQNH-UHFFFAOYSA-N -1 3 356.260 3.166 20 0 FGADHM CC(C)[C@H]1N(C(=O)N=c2cc3ccc(Br)cn3[n-]2)CC1(C)C ZINC000455254823 501716984 /nfs/dbraw/zinc/71/69/84/501716984.db2.gz XFCXPYSEVWXNBO-CQSZACIVSA-N -1 3 365.275 3.417 20 0 FGADHM COc1cc(C)cc(C(=O)Nc2nnc(Cc3ccccc3)s2)c1[O-] ZINC000592829842 506269325 /nfs/dbraw/zinc/26/93/25/506269325.db2.gz FTNJFTICSPKGEL-UHFFFAOYSA-N -1 3 355.419 3.404 20 0 FGADHM O=C(Cc1ccc(Br)cc1[O-])NCCc1cc(F)cc(F)c1 ZINC000477627368 501742462 /nfs/dbraw/zinc/74/24/62/501742462.db2.gz KQUZYVLHOQJVEL-UHFFFAOYSA-N -1 3 370.193 3.334 20 0 FGADHM Cc1cnc(C(=O)Nc2ccc(CN3CCSCC3)cc2C)c([O-])c1 ZINC000460189215 501754217 /nfs/dbraw/zinc/75/42/17/501754217.db2.gz YUSXDEASGNFXND-UHFFFAOYSA-N -1 3 357.479 3.205 20 0 FGADHM O=C(Nc1cc(Br)ccc1[O-])[C@H](O)Cc1ccccc1Cl ZINC000477706244 501764734 /nfs/dbraw/zinc/76/47/34/501764734.db2.gz VFFSKUSMRKVUOZ-CQSZACIVSA-N -1 3 370.630 3.350 20 0 FGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C)C2CCOCC2)c1Cl ZINC000474305719 501783411 /nfs/dbraw/zinc/78/34/11/501783411.db2.gz VUOLFKFDCDIGPT-JTQLQIEISA-N -1 3 352.283 3.395 20 0 FGADHM CC(C)(C)CC[C@@H](CO)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000481487422 501788703 /nfs/dbraw/zinc/78/87/03/501788703.db2.gz CHFGJBOXJJHBOL-JTQLQIEISA-N -1 3 354.299 3.459 20 0 FGADHM Cc1cc(C(=O)N2CC=C(c3c[nH]c4cc(F)ccc43)CC2)[n-]c(=O)n1 ZINC000481495327 501791806 /nfs/dbraw/zinc/79/18/06/501791806.db2.gz IENIYAOAMXFYHU-UHFFFAOYSA-N -1 3 352.369 3.041 20 0 FGADHM CC(C)(C)CC[C@@H](CO)[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000481504938 501793547 /nfs/dbraw/zinc/79/35/47/501793547.db2.gz YDTHZUZWZGLGRQ-NSHDSACASA-N -1 3 353.406 3.171 20 0 FGADHM Cc1cn(-c2cccc(NC(=O)Cc3ccc([O-])cc3Cl)c2)c(=O)[nH]1 ZINC000477818289 501797598 /nfs/dbraw/zinc/79/75/98/501797598.db2.gz MWBNHNLZHUQQBX-UHFFFAOYSA-N -1 3 357.797 3.427 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]C(C)(C)CCC(=O)OC(C)(C)C)c(F)c1 ZINC000470774115 501798455 /nfs/dbraw/zinc/79/84/55/501798455.db2.gz RRTRTODXTXSBLD-UHFFFAOYSA-N -1 3 359.463 3.313 20 0 FGADHM CCN(CC(C)(C)C)C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000463734239 501805200 /nfs/dbraw/zinc/80/52/00/501805200.db2.gz OMVHWVYUUIAYOI-UHFFFAOYSA-N -1 3 353.264 3.419 20 0 FGADHM O=S(=O)([N-]CCOC(F)(F)F)c1ccc(C(F)(F)F)cc1Cl ZINC000474384883 501816879 /nfs/dbraw/zinc/81/68/79/501816879.db2.gz OAVDSSXHZOIJPI-UHFFFAOYSA-N -1 3 371.686 3.174 20 0 FGADHM CCN(C(=O)CSc1n[n-]c(COC)n1)c1cccc2ccccc21 ZINC000474391583 501818192 /nfs/dbraw/zinc/81/81/92/501818192.db2.gz SUOQZIZITJRLQF-UHFFFAOYSA-N -1 3 356.451 3.250 20 0 FGADHM COc1ccc(N(CCC(C)C)C(=O)Cc2c(C)nc(C)[n-]c2=O)cc1 ZINC000477890068 501821295 /nfs/dbraw/zinc/82/12/95/501821295.db2.gz JQBJNROGQGVAQT-UHFFFAOYSA-N -1 3 357.454 3.429 20 0 FGADHM CCOC(=O)c1c(C2CC2)csc1[N-]C(=O)C(=O)N(C)CC(C)(C)C ZINC000467648891 501839541 /nfs/dbraw/zinc/83/95/41/501839541.db2.gz CMHOXDQTJFVOFX-UHFFFAOYSA-N -1 3 366.483 3.245 20 0 FGADHM CCOC(=O)c1c(C(C)C)csc1[N-]C(=O)C(=O)N1C[C@H](C)[C@@H](C)C1 ZINC000467675901 501843201 /nfs/dbraw/zinc/84/32/01/501843201.db2.gz KQIWOEYSDBEQGZ-RYUDHWBXSA-N -1 3 366.483 3.101 20 0 FGADHM Cc1ncc(CNC(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)c(=O)[n-]1 ZINC000481670774 501845043 /nfs/dbraw/zinc/84/50/43/501845043.db2.gz MGWPCYVRCAXJKW-UHFFFAOYSA-N -1 3 360.723 3.485 20 0 FGADHM CN(C)[C@H](C(=O)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1)c1ccccc1 ZINC000467719502 501854347 /nfs/dbraw/zinc/85/43/47/501854347.db2.gz BOFXTCOYTYBJRV-SFHVURJKSA-N -1 3 356.376 3.018 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)c1csc(-c2ccccc2)n1)C1CCOCC1 ZINC000467781345 501870633 /nfs/dbraw/zinc/87/06/33/501870633.db2.gz AMKXEEMHIPOALK-HNNXBMFYSA-N -1 3 366.508 3.294 20 0 FGADHM COC(=O)c1cc(F)cc([N-]C(=O)c2cc(OC)c(OC)cc2F)c1F ZINC000478093110 501879589 /nfs/dbraw/zinc/87/95/89/501879589.db2.gz ZGJVCFWFWBOFOG-UHFFFAOYSA-N -1 3 369.295 3.160 20 0 FGADHM CCN(CC(C)(C)C)C(=O)C(=O)[N-]c1scc(C2CC2)c1C(=O)OC ZINC000464046171 501883749 /nfs/dbraw/zinc/88/37/49/501883749.db2.gz OPGSXWXUZAASFW-UHFFFAOYSA-N -1 3 366.483 3.245 20 0 FGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1c(F)cc(C(F)(F)F)cc1F ZINC000485649747 501888295 /nfs/dbraw/zinc/88/82/95/501888295.db2.gz JFZWLNBVXJSPAP-UHFFFAOYSA-N -1 3 369.253 3.416 20 0 FGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1c(F)cc(C(F)(F)F)cc1F ZINC000485649747 501888303 /nfs/dbraw/zinc/88/83/03/501888303.db2.gz JFZWLNBVXJSPAP-UHFFFAOYSA-N -1 3 369.253 3.416 20 0 FGADHM Cc1csc(-c2cccc(C(=O)NCc3nnc(C(F)(F)F)[n-]3)c2)n1 ZINC000481909308 501915646 /nfs/dbraw/zinc/91/56/46/501915646.db2.gz HYSKWRXBCNZXSE-UHFFFAOYSA-N -1 3 367.356 3.185 20 0 FGADHM Cc1csc(-c2cccc(C(=O)NCc3n[n-]c(C(F)(F)F)n3)c2)n1 ZINC000481909308 501915653 /nfs/dbraw/zinc/91/56/53/501915653.db2.gz HYSKWRXBCNZXSE-UHFFFAOYSA-N -1 3 367.356 3.185 20 0 FGADHM Cc1csc(-c2cccc(C(=O)NCc3nc(C(F)(F)F)n[n-]3)c2)n1 ZINC000481909308 501915658 /nfs/dbraw/zinc/91/56/58/501915658.db2.gz HYSKWRXBCNZXSE-UHFFFAOYSA-N -1 3 367.356 3.185 20 0 FGADHM COc1cc(C(=O)NCCOc2ccc3ccccc3c2)cc(OC)c1[O-] ZINC000478230054 501916476 /nfs/dbraw/zinc/91/64/76/501916476.db2.gz FHNHCOUHTVOKCA-UHFFFAOYSA-N -1 3 367.401 3.371 20 0 FGADHM O=S(=O)([N-]c1ccncc1Br)c1ccc2ccccc2c1 ZINC000481923382 501920784 /nfs/dbraw/zinc/92/07/84/501920784.db2.gz NUKBUZMHAFPCQB-UHFFFAOYSA-N -1 3 363.236 3.220 20 0 FGADHM Cc1ccc(C(=O)CCCCC(=O)NCc2nnc(C(F)(F)F)[n-]2)cc1 ZINC000481934747 501923650 /nfs/dbraw/zinc/92/36/50/501923650.db2.gz KQCQAYWDTBHDAS-UHFFFAOYSA-N -1 3 368.359 3.191 20 0 FGADHM Cc1ccc(C(=O)CCCCC(=O)NCc2n[n-]c(C(F)(F)F)n2)cc1 ZINC000481934747 501923655 /nfs/dbraw/zinc/92/36/55/501923655.db2.gz KQCQAYWDTBHDAS-UHFFFAOYSA-N -1 3 368.359 3.191 20 0 FGADHM Cc1ccc(C(=O)CCCCC(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000481934747 501923661 /nfs/dbraw/zinc/92/36/61/501923661.db2.gz KQCQAYWDTBHDAS-UHFFFAOYSA-N -1 3 368.359 3.191 20 0 FGADHM CCN=c1[n-]c(C(=O)Nc2cccc(C(=O)c3ccccc3)c2)cs1 ZINC000478269290 501926933 /nfs/dbraw/zinc/92/69/33/501926933.db2.gz JMNFKFSTACLHOP-UHFFFAOYSA-N -1 3 351.431 3.480 20 0 FGADHM C[C@H]1C[C@H](C)CN(S(=O)(=O)[N-]c2ccc(F)cc2OC(F)F)C1 ZINC000460819491 501928237 /nfs/dbraw/zinc/92/82/37/501928237.db2.gz IFSQFWTVIPRDQD-UWVGGRQHSA-N -1 3 352.378 3.062 20 0 FGADHM CCN=c1[n-]c(C(=O)NCc2ccc(Oc3cccc(F)c3)nc2)cs1 ZINC000478273125 501928945 /nfs/dbraw/zinc/92/89/45/501928945.db2.gz CABRCRFEYCXKCW-UHFFFAOYSA-N -1 3 372.425 3.253 20 0 FGADHM CCN=c1[n-]c(C(=O)NCc2ccnc(Oc3ccc(F)cc3)c2)cs1 ZINC000478281465 501930345 /nfs/dbraw/zinc/93/03/45/501930345.db2.gz MVCTXDOKICUHRB-UHFFFAOYSA-N -1 3 372.425 3.253 20 0 FGADHM COc1cc2nc(C)sc2cc1NC(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000588379529 506283301 /nfs/dbraw/zinc/28/33/01/506283301.db2.gz AMOLOEXKNSZILR-UHFFFAOYSA-N -1 3 372.450 3.297 20 0 FGADHM Nc1nccnc1SCc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000460868995 501944898 /nfs/dbraw/zinc/94/48/98/501944898.db2.gz MWTJURHPACJMLT-UHFFFAOYSA-N -1 3 357.420 3.321 20 0 FGADHM O=C(NCc1ncccc1[O-])Nc1ccc(C(=O)NC2CCCCC2)cc1 ZINC000471245720 501966762 /nfs/dbraw/zinc/96/67/62/501966762.db2.gz TVEIIOOBUNUPKZ-UHFFFAOYSA-N -1 3 368.437 3.171 20 0 FGADHM CCc1ncc(S(=O)(=O)[N-]CCCCOCCc2ccccc2)s1 ZINC000460948681 501967445 /nfs/dbraw/zinc/96/74/45/501967445.db2.gz KFPOMOWGFJISAU-UHFFFAOYSA-N -1 3 368.524 3.023 20 0 FGADHM Cc1cccc2c(CC[N-]S(=O)(=O)c3cc(F)cc(F)c3)c[nH]c21 ZINC000485890189 501978591 /nfs/dbraw/zinc/97/85/91/501978591.db2.gz SHRCFZMADUWCGJ-UHFFFAOYSA-N -1 3 350.390 3.276 20 0 FGADHM O=C([N-]c1cc(F)cc(Br)c1F)c1cnn2cccnc12 ZINC000468185637 501981221 /nfs/dbraw/zinc/98/12/21/501981221.db2.gz BYCQQAIRURGLPI-UHFFFAOYSA-N -1 3 353.126 3.022 20 0 FGADHM O=C([N-]c1cc(N2CCNC2=O)ccc1F)c1cc(-c2ccccc2)no1 ZINC000468219052 501994756 /nfs/dbraw/zinc/99/47/56/501994756.db2.gz ABNKDFZIUULNRO-UHFFFAOYSA-N -1 3 366.352 3.263 20 0 FGADHM CS(=O)(=O)[N-]c1cc(NC(=O)Cc2cccc(C(F)F)c2)ccc1F ZINC000468225126 501996529 /nfs/dbraw/zinc/99/65/29/501996529.db2.gz QTGRWUHPTHKLTB-UHFFFAOYSA-N -1 3 372.368 3.316 20 0 FGADHM CC(C)(C)[C@@H]1CCN(C(=O)N=c2cc3ccc(Br)cn3[n-]2)C1 ZINC000482188450 502001925 /nfs/dbraw/zinc/00/19/25/502001925.db2.gz QOULTBRKDWBJRN-LLVKDONJSA-N -1 3 365.275 3.419 20 0 FGADHM CSc1ccc(NC(=O)CNC(=O)c2cccc([O-])c2)cc1Cl ZINC000471374273 502002211 /nfs/dbraw/zinc/00/22/11/502002211.db2.gz ZSKRVHRPIZNGCD-UHFFFAOYSA-N -1 3 350.827 3.136 20 0 FGADHM CCc1ccc([C@@H]2CCCCCN2C(=O)CNC(=O)c2cccc([O-])c2)o1 ZINC000471380920 502004546 /nfs/dbraw/zinc/00/45/46/502004546.db2.gz TUZZGCOSHIIJSI-SFHVURJKSA-N -1 3 370.449 3.421 20 0 FGADHM CCc1ccc([C@H]2CCCCCN2C(=O)CNC(=O)c2cccc([O-])c2)o1 ZINC000471380919 502005000 /nfs/dbraw/zinc/00/50/00/502005000.db2.gz TUZZGCOSHIIJSI-GOSISDBHSA-N -1 3 370.449 3.421 20 0 FGADHM O=C(Nc1ncccc1[O-])c1c(Cl)cccc1I ZINC000468288638 502016895 /nfs/dbraw/zinc/01/68/95/502016895.db2.gz VGCMVNXACPAXDX-UHFFFAOYSA-N -1 3 374.565 3.298 20 0 FGADHM CC[C@@H]1[C@@H](C)CCN1C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482248827 502020350 /nfs/dbraw/zinc/02/03/50/502020350.db2.gz ZTXJHCSDGKLSAK-GXFFZTMASA-N -1 3 351.248 3.171 20 0 FGADHM C[C@@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1ccc2c(c1)NC(=O)CO2 ZINC000468323498 502024714 /nfs/dbraw/zinc/02/47/14/502024714.db2.gz MPJMLEOBYGQOQL-GFCCVEGCSA-N -1 3 372.396 3.062 20 0 FGADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)N[C@@H](C1CCCCC1)C(F)(F)F ZINC000482273921 502026060 /nfs/dbraw/zinc/02/60/60/502026060.db2.gz DQAPTQVDYFPWJU-VIFPVBQESA-N -1 3 373.301 3.134 20 0 FGADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)N[C@@H](C1CCCCC1)C(F)(F)F ZINC000482273921 502026065 /nfs/dbraw/zinc/02/60/65/502026065.db2.gz DQAPTQVDYFPWJU-VIFPVBQESA-N -1 3 373.301 3.134 20 0 FGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N[C@@H](C1CCCCC1)C(F)(F)F ZINC000482273921 502026069 /nfs/dbraw/zinc/02/60/69/502026069.db2.gz DQAPTQVDYFPWJU-VIFPVBQESA-N -1 3 373.301 3.134 20 0 FGADHM CC(C)Cn1c(-c2cc([O-])cc(F)c2)nc2c1c(=O)[nH]c(=O)n2CC(C)C ZINC000471436434 502028102 /nfs/dbraw/zinc/02/81/02/502028102.db2.gz NEOBUNUQLPQMCD-UHFFFAOYSA-N -1 3 374.416 3.122 20 0 FGADHM O=C(Nc1cccc(-n2cc(C(F)(F)F)cn2)c1)c1ccc2n[n-]nc2c1 ZINC000478643096 502042920 /nfs/dbraw/zinc/04/29/20/502042920.db2.gz CQNFHRWJTZNGHE-UHFFFAOYSA-N -1 3 372.310 3.415 20 0 FGADHM O=S(=O)([N-]CCc1cccnc1)c1cc(C(F)(F)F)ccc1Cl ZINC000486104241 502048042 /nfs/dbraw/zinc/04/80/42/502048042.db2.gz SZLZTCNLJDWAJB-UHFFFAOYSA-N -1 3 364.776 3.275 20 0 FGADHM O=C(c1ccc2c(c1)C(=O)[N-]C2=O)N1CCCC[C@H]1c1ccc(F)cc1 ZINC000482351426 502048890 /nfs/dbraw/zinc/04/88/90/502048890.db2.gz XYANEEXIWQMAIL-KRWDZBQOSA-N -1 3 352.365 3.077 20 0 FGADHM COc1ccc([C@H](C)C(=O)N=c2nc(-c3ccccc3Cl)[n-]n2C)cc1 ZINC000461247887 502051329 /nfs/dbraw/zinc/05/13/29/502051329.db2.gz ZRPVCPSHXQPPEG-LBPRGKRZSA-N -1 3 370.840 3.308 20 0 FGADHM O=C(NCCc1nc2cc(Cl)ccc2s1)NCc1ncccc1[O-] ZINC000471518858 502052753 /nfs/dbraw/zinc/05/27/53/502052753.db2.gz VNKMXNZHUDDARC-UHFFFAOYSA-N -1 3 362.842 3.092 20 0 FGADHM COc1cc(C(=O)Nc2ccc(NC3CCOCC3)cc2)cc(OC)c1[O-] ZINC000486134771 502059108 /nfs/dbraw/zinc/05/91/08/502059108.db2.gz NDVWSWQUGOQATJ-UHFFFAOYSA-N -1 3 372.421 3.253 20 0 FGADHM C[C@H](c1ccccc1)N(C(=O)N=c1cc(OC(F)F)n(C)[n-]1)C1CC1 ZINC000482423057 502064230 /nfs/dbraw/zinc/06/42/30/502064230.db2.gz PDBUWIXPFUPZRU-LLVKDONJSA-N -1 3 350.369 3.201 20 0 FGADHM COC(=O)[C@H](NCc1cc([O-])ccc1Br)c1cccs1 ZINC000475135264 502074126 /nfs/dbraw/zinc/07/41/26/502074126.db2.gz GIAVGWDVJFIRJG-CYBMUJFWSA-N -1 3 356.241 3.220 20 0 FGADHM CCc1cc(C(=O)N2CSC[C@@H]2C(=O)Nc2cccc(F)c2)ccc1[O-] ZINC000486196733 502079845 /nfs/dbraw/zinc/07/98/45/502079845.db2.gz SHQUKVAWJRRFQI-MRXNPFEDSA-N -1 3 374.437 3.248 20 0 FGADHM O=C(CCCc1ccc([O-])c(F)c1)NCCc1ccc(-n2cccn2)cc1 ZINC000468525830 502091980 /nfs/dbraw/zinc/09/19/80/502091980.db2.gz AEMDEQNFPWYQMT-UHFFFAOYSA-N -1 3 367.424 3.399 20 0 FGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1C[C@@H]1c1cccc(F)c1 ZINC000486248605 502098179 /nfs/dbraw/zinc/09/81/79/502098179.db2.gz FJVJPDNVVFNIGR-ZIAGYGMSSA-N -1 3 355.818 3.322 20 0 FGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]CCCc1cccc(F)c1 ZINC000486264895 502105263 /nfs/dbraw/zinc/10/52/63/502105263.db2.gz BNIXOYKCUJSRKG-UHFFFAOYSA-N -1 3 357.834 3.399 20 0 FGADHM COc1cc(CNC(=O)NCc2ncccc2[O-])ccc1OC1CCCC1 ZINC000471681139 502107262 /nfs/dbraw/zinc/10/72/62/502107262.db2.gz YIZPMENDXFCPAC-UHFFFAOYSA-N -1 3 371.437 3.117 20 0 FGADHM CC(C)(C)NC(=O)c1ccc(NC(=O)c2c[n-]nc2-c2ccncc2)cc1 ZINC000471692830 502110129 /nfs/dbraw/zinc/11/01/29/502110129.db2.gz KQJXWUDVAXCGIR-UHFFFAOYSA-N -1 3 363.421 3.252 20 0 FGADHM CC(C)(C)NC(=O)c1ccc(NC(=O)c2cn[n-]c2-c2ccncc2)cc1 ZINC000471692830 502110131 /nfs/dbraw/zinc/11/01/31/502110131.db2.gz KQJXWUDVAXCGIR-UHFFFAOYSA-N -1 3 363.421 3.252 20 0 FGADHM O=C(c1ccc2c(c1)C(=O)[N-]C2=O)N1CCc2c1cccc2-c1ccccc1 ZINC000468585551 502115686 /nfs/dbraw/zinc/11/56/86/502115686.db2.gz DEQDEPKPQAKCCN-UHFFFAOYSA-N -1 3 368.392 3.440 20 0 FGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]CCOC1CCCCCC1 ZINC000486309683 502118628 /nfs/dbraw/zinc/11/86/28/502118628.db2.gz NPAPCIWJRXCLRT-UHFFFAOYSA-N -1 3 361.891 3.366 20 0 FGADHM O=C(NCc1nc(-c2cccc(Br)c2)no1)c1cccc([O-])c1 ZINC000468611174 502124374 /nfs/dbraw/zinc/12/43/74/502124374.db2.gz MCXBSJRWKMCBSN-UHFFFAOYSA-N -1 3 374.194 3.135 20 0 FGADHM O=C(Nc1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1F)c1ccsc1 ZINC000461470768 502127058 /nfs/dbraw/zinc/12/70/58/502127058.db2.gz YPEJCJCXUJYCOA-UHFFFAOYSA-N -1 3 374.846 3.234 20 0 FGADHM CCC(CC)CN(CC)C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C)c1 ZINC000486343475 502127319 /nfs/dbraw/zinc/12/73/19/502127319.db2.gz JFOZEQFARIRHMY-UHFFFAOYSA-N -1 3 359.467 3.024 20 0 FGADHM C[C@@H](CC(=O)Nc1ccc(Br)cc1)NCc1ncccc1[O-] ZINC000475348996 502144375 /nfs/dbraw/zinc/14/43/75/502144375.db2.gz VUYQOYVFGSSPIA-NSHDSACASA-N -1 3 364.243 3.057 20 0 FGADHM Cn1c2cc([O-])c(NC(=O)CCCCCc3cccs3)cc2n(C)c1=O ZINC000461621631 502155265 /nfs/dbraw/zinc/15/52/65/502155265.db2.gz WHESJSSANQZERD-UHFFFAOYSA-N -1 3 373.478 3.386 20 0 FGADHM CCCC[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C)c1 ZINC000486459373 502159416 /nfs/dbraw/zinc/15/94/16/502159416.db2.gz LBYBWNNXGCSIIQ-DOMZBBRYSA-N -1 3 371.478 3.214 20 0 FGADHM Cc1cc2[nH]ncc2cc1[N-]S(=O)(=O)c1ccccc1Br ZINC000479113952 502167496 /nfs/dbraw/zinc/16/74/96/502167496.db2.gz GDFTXQBHOQVJLN-UHFFFAOYSA-N -1 3 366.240 3.435 20 0 FGADHM CC[C@@H](C)[C@@H]([N-]S(C)(=O)=O)C(=O)Nc1ccc(C(C)(C)CC)cc1 ZINC000468744288 502168211 /nfs/dbraw/zinc/16/82/11/502168211.db2.gz PXYZDBZCLKVDQR-CZUORRHYSA-N -1 3 354.516 3.277 20 0 FGADHM CC(C)Oc1cccc([C@@H](C)NC(=O)NCc2nnc(C(F)(F)F)[n-]2)c1 ZINC000482750379 502169788 /nfs/dbraw/zinc/16/97/88/502169788.db2.gz VXQNXKMMWWGYAA-SNVBAGLBSA-N -1 3 371.363 3.171 20 0 FGADHM CC(C)Oc1cccc([C@@H](C)NC(=O)NCc2n[n-]c(C(F)(F)F)n2)c1 ZINC000482750379 502169792 /nfs/dbraw/zinc/16/97/92/502169792.db2.gz VXQNXKMMWWGYAA-SNVBAGLBSA-N -1 3 371.363 3.171 20 0 FGADHM CC(C)Oc1cccc([C@@H](C)NC(=O)NCc2nc(C(F)(F)F)n[n-]2)c1 ZINC000482750379 502169797 /nfs/dbraw/zinc/16/97/97/502169797.db2.gz VXQNXKMMWWGYAA-SNVBAGLBSA-N -1 3 371.363 3.171 20 0 FGADHM C[N-]S(=O)(=O)c1cc(NC(=O)N[C@@H](C)CCCC(C)C)ccc1F ZINC000486494530 502170285 /nfs/dbraw/zinc/17/02/85/502170285.db2.gz XPQHANFLODIPOG-LBPRGKRZSA-N -1 3 359.467 3.070 20 0 FGADHM Cc1cc(Br)ccc1S(=O)(=O)[N-]c1ccc2c(c1)CCO2 ZINC000471916858 502171711 /nfs/dbraw/zinc/17/17/11/502171711.db2.gz CHVKZLSPQYQEIN-UHFFFAOYSA-N -1 3 368.252 3.493 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1C)C(F)(F)F ZINC000468757790 502173289 /nfs/dbraw/zinc/17/32/89/502173289.db2.gz AJXDHFYHFQEMPA-JTQLQIEISA-N -1 3 360.195 3.377 20 0 FGADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCCN(c2nccs2)CC1 ZINC000468767233 502176144 /nfs/dbraw/zinc/17/61/44/502176144.db2.gz BBEVDPLKTSBCAL-UHFFFAOYSA-N -1 3 363.458 3.049 20 0 FGADHM CCn1cc(S(=O)(=O)[N-]c2c(Cl)cc(F)cc2Cl)nc1C ZINC000479155236 502178077 /nfs/dbraw/zinc/17/80/77/502178077.db2.gz LZLIIBYXCKLMBC-UHFFFAOYSA-N -1 3 352.218 3.458 20 0 FGADHM CCO[C@@H]1C[C@@H](NC(=O)c2c[n-]nc2-c2ccc(Cl)s2)[C@@H]1SC ZINC000592892487 506298019 /nfs/dbraw/zinc/29/80/19/506298019.db2.gz MEWAXGOXIRBJPW-RULNRJAQSA-N -1 3 371.915 3.430 20 0 FGADHM CCCC(C)(C)NC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000471947172 502180833 /nfs/dbraw/zinc/18/08/33/502180833.db2.gz QQFJZHKBYBDLLG-UHFFFAOYSA-N -1 3 366.405 3.385 20 0 FGADHM CN(Cc1cn(C)nc1C(F)(F)F)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000468783133 502181870 /nfs/dbraw/zinc/18/18/70/502181870.db2.gz BSXXQRVJORCYQT-UHFFFAOYSA-N -1 3 373.350 3.265 20 0 FGADHM COC(=O)c1cc(C)nc2nc(SCc3ccc(C)nc3C)[n-]c(=O)c12 ZINC000479203714 502191537 /nfs/dbraw/zinc/19/15/37/502191537.db2.gz GHRHFPKDSPMGAZ-UHFFFAOYSA-N -1 3 370.434 3.130 20 0 FGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1C[C@@H]1Cc1ccccc1 ZINC000486586219 502199658 /nfs/dbraw/zinc/19/96/58/502199658.db2.gz NSWSMUXWBPBWEL-DZGCQCFKSA-N -1 3 351.855 3.258 20 0 FGADHM CSCCc1ccc([N-]S(=O)(=O)c2cc3c(cc2C)OCO3)cc1 ZINC000479250909 502205424 /nfs/dbraw/zinc/20/54/24/502205424.db2.gz JAKCJFAMPLCZTG-UHFFFAOYSA-N -1 3 365.476 3.430 20 0 FGADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]C[C@@H]2CCC[C@H]2C)cc1Cl ZINC000461850860 502214512 /nfs/dbraw/zinc/21/45/12/502214512.db2.gz MJWGPCMFWKUNRM-KOLCDFICSA-N -1 3 362.854 3.152 20 0 FGADHM C[C@@H]1CCN(C(=O)CCn2ncc(=O)c3ccccc32)c2c([O-])cccc21 ZINC000468906469 502225181 /nfs/dbraw/zinc/22/51/81/502225181.db2.gz GRZYGQQSHARZON-CQSZACIVSA-N -1 3 363.417 3.033 20 0 FGADHM C[C@H]1CCN(C(=O)CCn2ncc(=O)c3ccccc32)c2c([O-])cccc21 ZINC000468906270 502225396 /nfs/dbraw/zinc/22/53/96/502225396.db2.gz GRZYGQQSHARZON-AWEZNQCLSA-N -1 3 363.417 3.033 20 0 FGADHM 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/nfs/dbraw/zinc/58/03/93/502580393.db2.gz TUFMSVQBDYRRGC-UHFFFAOYSA-N -1 3 370.336 3.133 20 0 FGADHM CC[C@H](c1ccncc1)N(C)C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000484198718 502597651 /nfs/dbraw/zinc/59/76/51/502597651.db2.gz GLPVWWHNKQZZDL-MRXNPFEDSA-N -1 3 357.360 3.425 20 0 FGADHM C[C@@]1(C[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)CCO[C@@H]1C1CC1 ZINC000466567931 502610204 /nfs/dbraw/zinc/61/02/04/502610204.db2.gz RNLMLGRBVCEBRH-CABCVRRESA-N -1 3 364.294 3.477 20 0 FGADHM COC(=O)c1cccc(OCc2noc(-c3cc(-c4ccco4)n[n-]3)n2)c1 ZINC000476910303 502618530 /nfs/dbraw/zinc/61/85/30/502618530.db2.gz DUXVAZBABZAEOQ-UHFFFAOYSA-N -1 3 366.333 3.085 20 0 FGADHM COC(=O)c1cccc(OCc2noc(-c3cc(-c4ccco4)[n-]n3)n2)c1 ZINC000476910303 502618531 /nfs/dbraw/zinc/61/85/31/502618531.db2.gz DUXVAZBABZAEOQ-UHFFFAOYSA-N -1 3 366.333 3.085 20 0 FGADHM CCC[C@@H]1CCCN(C(=O)C(=O)[N-]c2scc(C)c2C(=O)OCC)C1 ZINC000466671093 502638114 /nfs/dbraw/zinc/63/81/14/502638114.db2.gz SXWHPHNSKBQTSM-CYBMUJFWSA-N -1 3 366.483 3.210 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]C[C@H]2CCC[C@@H](C(F)(F)F)C2)c(F)c1 ZINC000480690033 502644096 /nfs/dbraw/zinc/64/40/96/502644096.db2.gz QHGGDCBXWFCHOP-WDEREUQCSA-N -1 3 369.380 3.481 20 0 FGADHM COCCC1(C[N-]S(=O)(=O)c2ccc(OC)cc2F)CCCCC1 ZINC000480697238 502645846 /nfs/dbraw/zinc/64/58/46/502645846.db2.gz ZCXJSRQGQXGVIU-UHFFFAOYSA-N -1 3 359.463 3.100 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]CCc2c[nH]c3c2cccc3C)c(F)c1 ZINC000480715956 502651598 /nfs/dbraw/zinc/65/15/98/502651598.db2.gz JWFNPTDAPNDDME-UHFFFAOYSA-N -1 3 362.426 3.145 20 0 FGADHM CCOC(=O)[C@H]1CN(C(=O)c2cc([O-])ccc2Cl)Cc2ccccc21 ZINC000484487531 502651675 /nfs/dbraw/zinc/65/16/75/502651675.db2.gz KEIORTUDGKETAI-INIZCTEOSA-N -1 3 359.809 3.348 20 0 FGADHM CCOC(=O)[C@@H]1CN(C(=O)c2cc([O-])ccc2Cl)Cc2ccccc21 ZINC000484487533 502651994 /nfs/dbraw/zinc/65/19/94/502651994.db2.gz KEIORTUDGKETAI-MRXNPFEDSA-N -1 3 359.809 3.348 20 0 FGADHM O=C(NCc1ncccc1[O-])c1cccc(COc2cccc(F)c2)c1 ZINC000473631695 502659924 /nfs/dbraw/zinc/65/99/24/502659924.db2.gz YGOTUQLFZWZAOM-UHFFFAOYSA-N -1 3 352.365 3.435 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]C[C@@](C)(Cc2ccccc2)[C@H](C)O)c(F)c1 ZINC000480748224 502660686 /nfs/dbraw/zinc/66/06/86/502660686.db2.gz WOOMQEFJGTXSLV-HNAYVOBHSA-N -1 3 365.470 3.042 20 0 FGADHM CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)NCc2ncccc2[O-])c1 ZINC000473633530 502661461 /nfs/dbraw/zinc/66/14/61/502661461.db2.gz XDWFJRCYEIOORR-UHFFFAOYSA-N -1 3 361.829 3.355 20 0 FGADHM O=C(NCc1ncccc1[O-])C1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000473638153 502663121 /nfs/dbraw/zinc/66/31/21/502663121.db2.gz MARYHOHNUWMDJH-UHFFFAOYSA-N -1 3 354.303 3.293 20 0 FGADHM O=C(CCSc1ccccc1Br)NCc1ncccc1[O-] ZINC000473641747 502664645 /nfs/dbraw/zinc/66/46/45/502664645.db2.gz KMVBZKNDIRAFLT-UHFFFAOYSA-N -1 3 367.268 3.348 20 0 FGADHM COCc1ccccc1S(=O)(=O)[N-]c1cc2c(cc1Cl)OCCO2 ZINC000484546681 502666143 /nfs/dbraw/zinc/66/61/43/502666143.db2.gz YQWGAINBZUWPGC-UHFFFAOYSA-N -1 3 369.826 3.058 20 0 FGADHM COc1cc(NC(=O)Cc2ccc([O-])cc2Cl)cc(-n2cccn2)c1 ZINC000473647754 502667096 /nfs/dbraw/zinc/66/70/96/502667096.db2.gz IJIUZUGNXBPWCO-UHFFFAOYSA-N -1 3 357.797 3.421 20 0 FGADHM O=C(Cc1ccc([O-])cc1Cl)Nc1cccc(N2C(=O)CCCC2=O)c1 ZINC000473662269 502672144 /nfs/dbraw/zinc/67/21/44/502672144.db2.gz PNFFONHPOGIOHP-UHFFFAOYSA-N -1 3 372.808 3.270 20 0 FGADHM CCC[C@@](C)(CC)C(=O)NCc1cccc(-c2nnc(C(=O)OCC)[n-]2)c1 ZINC000477125389 502684702 /nfs/dbraw/zinc/68/47/02/502684702.db2.gz GSUZALQCHZBKHU-HXUWFJFHSA-N -1 3 372.469 3.481 20 0 FGADHM CCC[C@@](C)(CC)C(=O)NCc1cccc(-c2n[n-]c(C(=O)OCC)n2)c1 ZINC000477125389 502684708 /nfs/dbraw/zinc/68/47/08/502684708.db2.gz GSUZALQCHZBKHU-HXUWFJFHSA-N -1 3 372.469 3.481 20 0 FGADHM O=C(NC[C@H]1CCCC[C@H]1C(F)(F)F)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000484628803 502688429 /nfs/dbraw/zinc/68/84/29/502688429.db2.gz ZVBFIKCMSLHYTG-NOZJJQNGSA-N -1 3 369.343 3.060 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]C[C@](C)(O)C2CCCCC2)sc1Cl ZINC000480853608 502689825 /nfs/dbraw/zinc/68/98/25/502689825.db2.gz REXRTGIRRYGLLP-AWEZNQCLSA-N -1 3 351.921 3.320 20 0 FGADHM Cc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1Br ZINC000473734004 502690678 /nfs/dbraw/zinc/69/06/78/502690678.db2.gz VCEYSKHMYQCMKP-UHFFFAOYSA-N -1 3 358.199 3.190 20 0 FGADHM Cc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1Br ZINC000473734004 502690685 /nfs/dbraw/zinc/69/06/85/502690685.db2.gz VCEYSKHMYQCMKP-UHFFFAOYSA-N -1 3 358.199 3.190 20 0 FGADHM CCCOc1ccc(NC(=O)NCCCNC(=O)c2cccc([O-])c2)cc1 ZINC000480901430 502701293 /nfs/dbraw/zinc/70/12/93/502701293.db2.gz CIBVOLJCKSQHFG-UHFFFAOYSA-N -1 3 371.437 3.123 20 0 FGADHM CS(=O)(=O)[N-]c1cc(-c2nc(-c3ncsc3Cl)no2)ccc1F ZINC000463165080 502710603 /nfs/dbraw/zinc/71/06/03/502710603.db2.gz XCWBTZMOZGSLJM-UHFFFAOYSA-N -1 3 374.806 3.024 20 0 FGADHM Cc1cccc(F)c1S(=O)(=O)[N-]Cc1c(F)cccc1OC(F)F ZINC000480950984 502711632 /nfs/dbraw/zinc/71/16/32/502711632.db2.gz MQWHCZMLLWMCSS-UHFFFAOYSA-N -1 3 363.332 3.353 20 0 FGADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)Nc1ccnc(-c2ccccc2)c1 ZINC000480952570 502713067 /nfs/dbraw/zinc/71/30/67/502713067.db2.gz NMIPGXIXVQAERX-UHFFFAOYSA-N -1 3 362.315 3.207 20 0 FGADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)Nc1ccnc(-c2ccccc2)c1 ZINC000480952570 502713070 /nfs/dbraw/zinc/71/30/70/502713070.db2.gz NMIPGXIXVQAERX-UHFFFAOYSA-N -1 3 362.315 3.207 20 0 FGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)Nc1ccnc(-c2ccccc2)c1 ZINC000480952570 502713075 /nfs/dbraw/zinc/71/30/75/502713075.db2.gz NMIPGXIXVQAERX-UHFFFAOYSA-N -1 3 362.315 3.207 20 0 FGADHM Cc1nc2cc(Cl)c([N-]C(=O)c3nc4nccc(C)n4n3)cc2s1 ZINC000484704212 502714342 /nfs/dbraw/zinc/71/43/42/502714342.db2.gz QXLIYTQCUVHDHG-UHFFFAOYSA-N -1 3 358.814 3.257 20 0 FGADHM CO[C@]1(C)C[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1(C)C ZINC000466894843 502717120 /nfs/dbraw/zinc/71/71/20/502717120.db2.gz VWKQKMAIOCVRMG-SMDDNHRTSA-N -1 3 352.283 3.475 20 0 FGADHM Cc1ccc(-c2nc(C[N-]S(=O)(=O)c3cc(F)cc(F)c3)co2)cc1 ZINC000466908490 502722619 /nfs/dbraw/zinc/72/26/19/502722619.db2.gz CMJKWSXLSCNWLK-UHFFFAOYSA-N -1 3 364.373 3.407 20 0 FGADHM O=C(CCCOc1ccc2c(c1)CCCC2)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000473850169 502723685 /nfs/dbraw/zinc/72/36/85/502723685.db2.gz MXVYBALCJIHEAX-LJQANCHMSA-N -1 3 369.465 3.360 20 0 FGADHM COc1ccc(SCCCC(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)cc1 ZINC000473850455 502724382 /nfs/dbraw/zinc/72/43/82/502724382.db2.gz NRMBOAGOIPPFFM-MRXNPFEDSA-N -1 3 361.467 3.203 20 0 FGADHM O=C(CCC(=O)c1ccc2ccccc2c1)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000473852090 502725250 /nfs/dbraw/zinc/72/52/50/502725250.db2.gz AVMWOJRHYNVIBZ-LJQANCHMSA-N -1 3 363.417 3.438 20 0 FGADHM COc1ccc(CCCCCC(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)cc1 ZINC000473854124 502726411 /nfs/dbraw/zinc/72/64/11/502726411.db2.gz XMOJWHVKFZQLKF-GOSISDBHSA-N -1 3 357.454 3.433 20 0 FGADHM C/C=C/C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)OCC ZINC000463231506 502729494 /nfs/dbraw/zinc/72/94/94/502729494.db2.gz UYINPPDOBGQARE-PYEVWLCESA-N -1 3 366.266 3.170 20 0 FGADHM COc1cc(C(=O)NCc2cccc(C)c2Br)ccc1[O-] ZINC000470320295 502735460 /nfs/dbraw/zinc/73/54/60/502735460.db2.gz ZJDQWQLGWUSWDL-UHFFFAOYSA-N -1 3 350.212 3.402 20 0 FGADHM CN(CCOc1ccccc1)C(=O)Cc1ccc(Br)cc1[O-] ZINC000477324364 502741828 /nfs/dbraw/zinc/74/18/28/502741828.db2.gz WLZFNBFLAIAFIA-UHFFFAOYSA-N -1 3 364.239 3.235 20 0 FGADHM Cc1cc(=O)[n-]c([C@@H](C)Sc2nnc([C@H]3COc4ccccc4O3)o2)n1 ZINC000488543340 502745107 /nfs/dbraw/zinc/74/51/07/502745107.db2.gz JLYGFOQHGAZWEN-ZWNOBZJWSA-N -1 3 372.406 3.239 20 0 FGADHM O=C(Nc1ccc(N2CCCC2=O)c(F)c1)c1cc(-c2ccco2)[n-]n1 ZINC000484828605 502748598 /nfs/dbraw/zinc/74/85/98/502748598.db2.gz ZMGTWKXLVGTQPP-UHFFFAOYSA-N -1 3 354.341 3.188 20 0 FGADHM O=C(Nc1ccc(N2CCCC2=O)c(F)c1)c1cc(-c2ccco2)n[n-]1 ZINC000484828605 502748602 /nfs/dbraw/zinc/74/86/02/502748602.db2.gz ZMGTWKXLVGTQPP-UHFFFAOYSA-N -1 3 354.341 3.188 20 0 FGADHM CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)c2cc(=O)[n-]c(N(C)C)n2)o1 ZINC000463313138 502751725 /nfs/dbraw/zinc/75/17/25/502751725.db2.gz FYKJDVZNAPGRDZ-IUODEOHRSA-N -1 3 358.442 3.017 20 0 FGADHM Cc1nc(C)c(S(=O)(=O)[N-][C@H](C)[C@H](c2ccccc2C)N(C)C)s1 ZINC000473935504 502754501 /nfs/dbraw/zinc/75/45/01/502754501.db2.gz BCBDRBVKFRWKOZ-MLGOLLRUSA-N -1 3 367.540 3.038 20 0 FGADHM O=C(Cc1ccc(Br)cc1[O-])N1CCOc2cc(F)ccc21 ZINC000477366305 502755105 /nfs/dbraw/zinc/75/51/05/502755105.db2.gz NSSBEVZAWAGABY-UHFFFAOYSA-N -1 3 366.186 3.262 20 0 FGADHM CCc1ccc([C@@H]2CCCCCN2C(=O)c2cc(=O)[n-]c(N(C)C)n2)o1 ZINC000463321468 502755786 /nfs/dbraw/zinc/75/57/86/502755786.db2.gz PSURLAXNUHXLJD-HNNXBMFYSA-N -1 3 358.442 3.161 20 0 FGADHM Cc1ccccc1[C@H]([C@@H](C)[N-]S(=O)(=O)c1cccc(F)c1F)N(C)C ZINC000473949863 502759768 /nfs/dbraw/zinc/75/97/68/502759768.db2.gz HNYCBVHXODXUBM-ACJLOTCBSA-N -1 3 368.449 3.243 20 0 FGADHM CC(=O)c1cc(F)c([N-]S(=O)(=O)c2cc(F)ccc2F)c(F)c1F ZINC000463377766 502776773 /nfs/dbraw/zinc/77/67/73/502776773.db2.gz WSQPTSKMPXTWAL-UHFFFAOYSA-N -1 3 365.279 3.386 20 0 FGADHM COc1cc(C(=O)NCCOc2ccccc2C(C)C)cc(OC)c1[O-] ZINC000488674084 502779327 /nfs/dbraw/zinc/77/93/27/502779327.db2.gz ZSCUAVGYCNKDFY-UHFFFAOYSA-N -1 3 359.422 3.342 20 0 FGADHM CC1(CCS(=O)(=O)[N-][C@@H](CO)c2c(Cl)cccc2Cl)CC1 ZINC000582633639 506334589 /nfs/dbraw/zinc/33/45/89/506334589.db2.gz WRUQJYZAUWVJHC-LBPRGKRZSA-N -1 3 352.283 3.136 20 0 FGADHM COC(=O)[C@@H](CS(=O)(=O)[N-]c1ccc(Cl)cc1C)c1ccccc1 ZINC000477514179 502794534 /nfs/dbraw/zinc/79/45/34/502794534.db2.gz DCNXXXKYUMWQDX-HNNXBMFYSA-N -1 3 367.854 3.347 20 0 FGADHM COc1ccc(Br)c(S(=O)(=O)[N-]Cc2cccc(F)c2)c1 ZINC000474067570 502796804 /nfs/dbraw/zinc/79/68/04/502796804.db2.gz TZVURGATYNUUDZ-UHFFFAOYSA-N -1 3 374.231 3.075 20 0 FGADHM C[C@H]1[C@@H](CO)CCN1Cc1nc(=O)c2cc(-c3ccccc3)sc2[n-]1 ZINC000488802172 502811838 /nfs/dbraw/zinc/81/18/38/502811838.db2.gz WDIZIDWZOQVSIM-GXTWGEPZSA-N -1 3 355.463 3.267 20 0 FGADHM COCC1(C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)CC1 ZINC000485060552 502811882 /nfs/dbraw/zinc/81/18/82/502811882.db2.gz BRDDLWOQWNZPKW-UHFFFAOYSA-N -1 3 374.462 3.161 20 0 FGADHM CCn1cnc(S(=O)(=O)[N-][C@H](c2ccc(Cl)cc2)[C@H]2C[C@@H]2C)c1 ZINC000474125369 502813396 /nfs/dbraw/zinc/81/33/96/502813396.db2.gz MXRBVLVZDYWVAE-HZUKXOBISA-N -1 3 353.875 3.232 20 0 FGADHM CC(C)c1cc(C(=O)Nc2nnc(-c3cc4ccccc4o3)[n-]2)n(C)n1 ZINC000485114606 502816351 /nfs/dbraw/zinc/81/63/51/502816351.db2.gz SMAGBVDQTFYZRO-UHFFFAOYSA-N -1 3 350.382 3.327 20 0 FGADHM CC(C)c1cc(C(=O)Nc2nc(-c3cc4ccccc4o3)n[n-]2)n(C)n1 ZINC000485114606 502816352 /nfs/dbraw/zinc/81/63/52/502816352.db2.gz SMAGBVDQTFYZRO-UHFFFAOYSA-N -1 3 350.382 3.327 20 0 FGADHM CC(C)c1cc(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)n(C)n1 ZINC000485114606 502816353 /nfs/dbraw/zinc/81/63/53/502816353.db2.gz SMAGBVDQTFYZRO-UHFFFAOYSA-N -1 3 350.382 3.327 20 0 FGADHM Cn1cnc(S(=O)(=O)[N-]C(C)(C)Cc2ccc(Cl)cc2Cl)c1 ZINC000474161258 502816815 /nfs/dbraw/zinc/81/68/15/502816815.db2.gz YBNRWHUQOWSYSC-UHFFFAOYSA-N -1 3 362.282 3.027 20 0 FGADHM Cc1cc2ncc(C(=O)Nc3nnc(-c4cc5ccccc5o4)[n-]3)c(C)n2n1 ZINC000485119615 502817127 /nfs/dbraw/zinc/81/71/27/502817127.db2.gz LPYAOYDBHPGIKY-UHFFFAOYSA-N -1 3 373.376 3.130 20 0 FGADHM Cc1cc2ncc(C(=O)Nc3nc(-c4cc5ccccc5o4)n[n-]3)c(C)n2n1 ZINC000485119615 502817128 /nfs/dbraw/zinc/81/71/28/502817128.db2.gz LPYAOYDBHPGIKY-UHFFFAOYSA-N -1 3 373.376 3.130 20 0 FGADHM Cc1cc2ncc(C(=O)Nc3n[n-]c(-c4cc5ccccc5o4)n3)c(C)n2n1 ZINC000485119615 502817129 /nfs/dbraw/zinc/81/71/29/502817129.db2.gz LPYAOYDBHPGIKY-UHFFFAOYSA-N -1 3 373.376 3.130 20 0 FGADHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)Nc1cccc(C2CCC2)c1 ZINC000485121603 502817208 /nfs/dbraw/zinc/81/72/08/502817208.db2.gz PATHZMFRXQSAQO-UHFFFAOYSA-N -1 3 363.417 3.398 20 0 FGADHM COc1ccccc1C[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000500610686 502825746 /nfs/dbraw/zinc/82/57/46/502825746.db2.gz QWNGXWFXARHQSF-UHFFFAOYSA-N -1 3 374.231 3.075 20 0 FGADHM COc1cc(C(=O)NCCc2ccc(OCC(C)C)cc2)cc(OC)c1[O-] ZINC000488888757 502832424 /nfs/dbraw/zinc/83/24/24/502832424.db2.gz HPHIUMSXKBZSKX-UHFFFAOYSA-N -1 3 373.449 3.417 20 0 FGADHM COC(=O)[C@H](CNC(=O)c1cccc([O-])c1)Cc1ccc2ccccc2c1 ZINC000509156245 502835354 /nfs/dbraw/zinc/83/53/54/502835354.db2.gz 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ZINC000509300196 502870536 /nfs/dbraw/zinc/87/05/36/502870536.db2.gz JCPDAMPIIOLLNX-UHFFFAOYSA-N -1 3 361.405 3.281 20 0 FGADHM O=C(N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1)c1cc2ccccc2c(=O)o1 ZINC000500875207 502884145 /nfs/dbraw/zinc/88/41/45/502884145.db2.gz ZZQNJGGIJGFPJR-UHFFFAOYSA-N -1 3 367.311 3.136 20 0 FGADHM COC(=O)c1cc(F)cc([N-]S(=O)(=O)c2cccc(SC)c2)c1F ZINC000509395911 502891599 /nfs/dbraw/zinc/89/15/99/502891599.db2.gz GHCKTDRJBOQWDG-UHFFFAOYSA-N -1 3 373.402 3.274 20 0 FGADHM Cc1nc([N-]C(=O)c2c(C)onc2-c2cccc(Br)c2)n[nH]1 ZINC000505548884 502933181 /nfs/dbraw/zinc/93/31/81/502933181.db2.gz GTOKBVYLEDDQHD-UHFFFAOYSA-N -1 3 362.187 3.091 20 0 FGADHM O=C(N[C@H](CO)c1ccsc1)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000505586967 502942332 /nfs/dbraw/zinc/94/23/32/502942332.db2.gz KRNLYSFZEJAJCU-GOSISDBHSA-N -1 3 367.426 3.148 20 0 FGADHM Cc1ccc([C@H](C[N-]S(=O)(=O)c2cc(C)ccc2F)N2CCCC2)o1 ZINC000509662558 502960993 /nfs/dbraw/zinc/96/09/93/502960993.db2.gz DMMRHMCQWNACBI-INIZCTEOSA-N -1 3 366.458 3.151 20 0 FGADHM Cc1ccc(-c2nnc(NC(=O)c3sc([C@@H]4CCCO4)nc3C)[n-]2)o1 ZINC000501238859 502964852 /nfs/dbraw/zinc/96/48/52/502964852.db2.gz ZZYBBXGYRRVVIE-NSHDSACASA-N -1 3 359.411 3.242 20 0 FGADHM Cc1ccc(-c2n[n-]c(NC(=O)c3sc([C@@H]4CCCO4)nc3C)n2)o1 ZINC000501238859 502964858 /nfs/dbraw/zinc/96/48/58/502964858.db2.gz ZZYBBXGYRRVVIE-NSHDSACASA-N -1 3 359.411 3.242 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)c1ccc2nc(C)sc2c1)c1nccs1 ZINC000489488124 502970660 /nfs/dbraw/zinc/97/06/60/502970660.db2.gz TTWIQWNVVLXRMA-NSHDSACASA-N -1 3 353.494 3.491 20 0 FGADHM CCc1ccc2nc([N-]C(=O)c3ccc(S(C)(=O)=O)o3)sc2c1 ZINC000497556684 502987470 /nfs/dbraw/zinc/98/74/70/502987470.db2.gz OEMSCPZKQPRBHV-UHFFFAOYSA-N -1 3 350.421 3.108 20 0 FGADHM COc1cc(C(=O)N(C)Cc2ccccc2Br)ccc1[O-] ZINC000509801748 502988266 /nfs/dbraw/zinc/98/82/66/502988266.db2.gz ADXNKHXUKOMWOF-UHFFFAOYSA-N -1 3 350.212 3.436 20 0 FGADHM COC(=O)c1ccc(C(=O)Nc2cc(Br)c(C)cc2C)[n-]1 ZINC000501366784 502993406 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CCc1ccc([O-])c(C(=O)N[C@@H](Cn2ccccc2=O)c2ccccc2)c1 ZINC000506074778 503042186 /nfs/dbraw/zinc/04/21/86/503042186.db2.gz CUPJMMCDKADFHM-IBGZPJMESA-N -1 3 362.429 3.288 20 0 FGADHM O=C(N[C@@H](CO)CC1CCCC1)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000513940362 503052455 /nfs/dbraw/zinc/05/24/55/503052455.db2.gz OVIIUGWBGBHJDR-LJQANCHMSA-N -1 3 367.445 3.294 20 0 FGADHM COc1cc(C(=O)Nc2ccc(OC)c3ncccc23)cc(OC)c1[O-] ZINC000513963317 503056336 /nfs/dbraw/zinc/05/63/36/503056336.db2.gz OTJKPRGPNDNHDQ-UHFFFAOYSA-N -1 3 354.362 3.219 20 0 FGADHM COc1cc(C(=O)Nc2ccc(Cl)cc2NC(C)=O)cc(OC)c1[O-] ZINC000513963795 503056496 /nfs/dbraw/zinc/05/64/96/503056496.db2.gz XDVZZIDMIMPXRQ-UHFFFAOYSA-N -1 3 364.785 3.274 20 0 FGADHM CC(C)Cc1ncc(NC(=O)Cc2ccc(Br)cc2[O-])cn1 ZINC000510141183 503057718 /nfs/dbraw/zinc/05/77/18/503057718.db2.gz YQKFNOYLWRPCEN-UHFFFAOYSA-N -1 3 364.243 3.324 20 0 FGADHM COc1cc(C(=O)NCc2cc(Br)ccc2F)ccc1[O-] ZINC000506150775 503057990 /nfs/dbraw/zinc/05/79/90/503057990.db2.gz 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503142213 /nfs/dbraw/zinc/14/22/13/503142213.db2.gz ZWBSSUGMEZUZTM-UHFFFAOYSA-N -1 3 373.833 3.481 20 0 FGADHM CCc1c(NC(=O)c2c[n-]c(C(=O)OC)c2)cnn1-c1ccccc1Cl ZINC000506631436 503146446 /nfs/dbraw/zinc/14/64/46/503146446.db2.gz ITCOZFFPRKNCPQ-UHFFFAOYSA-N -1 3 372.812 3.455 20 0 FGADHM CC[C@@H](c1cccc(OC)c1)N(C)C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000502129574 503148386 /nfs/dbraw/zinc/14/83/86/503148386.db2.gz WNKPXNLECRGNNG-LBPRGKRZSA-N -1 3 371.363 3.125 20 0 FGADHM CC[C@@H](c1cccc(OC)c1)N(C)C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000502129574 503148392 /nfs/dbraw/zinc/14/83/92/503148392.db2.gz WNKPXNLECRGNNG-LBPRGKRZSA-N -1 3 371.363 3.125 20 0 FGADHM CC[C@@H](c1cccc(OC)c1)N(C)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000502129574 503148395 /nfs/dbraw/zinc/14/83/95/503148395.db2.gz WNKPXNLECRGNNG-LBPRGKRZSA-N -1 3 371.363 3.125 20 0 FGADHM CCC1(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2F)CCOCC1 ZINC000490427719 503172000 /nfs/dbraw/zinc/17/20/00/503172000.db2.gz PFNLCAZFILWASW-UHFFFAOYSA-N -1 3 369.380 3.330 20 0 FGADHM CCCc1nc(C)c(C[N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)o1 ZINC000490509673 503185676 /nfs/dbraw/zinc/18/56/76/503185676.db2.gz KMGNWDTXKZICIS-UHFFFAOYSA-N -1 3 362.373 3.433 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1F)[C@H]1OCCc2sccc21 ZINC000490517222 503187656 /nfs/dbraw/zinc/18/76/56/503187656.db2.gz OKZWDUJBFQTUBM-BJOHPYRUSA-N -1 3 359.419 3.007 20 0 FGADHM Cc1ccc(F)c(S(=O)(=O)[N-][C@@H](C)[C@@H]2OCCc3sccc32)c1 ZINC000490520365 503188543 /nfs/dbraw/zinc/18/85/43/503188543.db2.gz NAKLRHXJXGYJST-ZBEGNZNMSA-N -1 3 355.456 3.176 20 0 FGADHM COC(=O)c1ccc(C(=O)Nc2cc(-c3ccc(Cl)s3)[nH]n2)[n-]1 ZINC000490547556 503193165 /nfs/dbraw/zinc/19/31/65/503193165.db2.gz UDOIGXRCUXGZNL-UHFFFAOYSA-N -1 3 350.787 3.159 20 0 FGADHM COC(=O)c1ccc(C)c([N-]S(=O)(=O)c2cc(C)c(OC)c(C)c2)c1 ZINC000514804723 503197177 /nfs/dbraw/zinc/19/71/77/503197177.db2.gz UUGWFBOCSNYVNN-UHFFFAOYSA-N -1 3 363.435 3.208 20 0 FGADHM Cc1cc(C(=O)NCc2cccc(NC(=O)c3ccncc3)c2)ccc1[O-] ZINC000498508137 503199168 /nfs/dbraw/zinc/19/91/68/503199168.db2.gz TWJDLZQUEYHFGD-UHFFFAOYSA-N -1 3 361.401 3.278 20 0 FGADHM Cc1cc([C@@H](C)NCC[N-]S(=O)(=O)c2ccc(Cl)cc2F)oc1C ZINC000502495428 503210748 /nfs/dbraw/zinc/21/07/48/503210748.db2.gz MZGSFASXGDQXMY-LLVKDONJSA-N -1 3 374.865 3.318 20 0 FGADHM COc1cc(O)cc(NC(=O)Cc2ccc(Br)cc2[O-])c1 ZINC000498616544 503226451 /nfs/dbraw/zinc/22/64/51/503226451.db2.gz OVNWFEOJQWHKSH-UHFFFAOYSA-N -1 3 352.184 3.050 20 0 FGADHM CC(C)N(Cc1cccs1)C(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000502602530 503236820 /nfs/dbraw/zinc/23/68/20/503236820.db2.gz XUWHJMZBCIPGOL-UHFFFAOYSA-N -1 3 370.471 3.310 20 0 FGADHM CCCCCS(=O)(=O)[N-][C@@H](C)c1nc(-c2ccc(C)c(F)c2)no1 ZINC000514975928 503240192 /nfs/dbraw/zinc/24/01/92/503240192.db2.gz JAIUPIVIOHVMSN-LBPRGKRZSA-N -1 3 355.435 3.355 20 0 FGADHM COc1cccc(-c2nc(C(=O)N3CCCc4cccc([O-])c43)no2)c1 ZINC000490882460 503240771 /nfs/dbraw/zinc/24/07/71/503240771.db2.gz WGCWRFKLYUIYDQ-UHFFFAOYSA-N -1 3 351.362 3.044 20 0 FGADHM CCCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)c2cc([O-])ccc2Cl)C1 ZINC000515008552 503249287 /nfs/dbraw/zinc/24/92/87/503249287.db2.gz GLDNOPBWGDBDJJ-QWHCGFSZSA-N -1 3 352.862 3.203 20 0 FGADHM Cc1nc(C2CCCC2)sc1C(=O)N=c1cc(OC(F)F)n(C)[n-]1 ZINC000490978813 503254900 /nfs/dbraw/zinc/25/49/00/503254900.db2.gz ZHTSFZVFFQBXPN-UHFFFAOYSA-N -1 3 356.398 3.118 20 0 FGADHM CCCc1c(NC(=O)c2ccc(C(=O)OC)[n-]2)cnn1-c1ccc(F)cc1 ZINC000507246403 503259442 /nfs/dbraw/zinc/25/94/42/503259442.db2.gz IUKHNMGIWDJLGM-UHFFFAOYSA-N -1 3 370.384 3.331 20 0 FGADHM Cc1cc2c(cc1NC(=O)Cc1ccc(Br)cc1[O-])OCO2 ZINC000498774571 503261707 /nfs/dbraw/zinc/26/17/07/503261707.db2.gz JECRFYRMVJARCL-UHFFFAOYSA-N -1 3 364.195 3.373 20 0 FGADHM Cn1[n-]c(=NC(=O)COc2ccccc2-c2ccccc2)cc1OC(F)F ZINC000491031251 503262559 /nfs/dbraw/zinc/26/25/59/503262559.db2.gz CWNHRVRJPCXPGP-UHFFFAOYSA-N -1 3 373.359 3.128 20 0 FGADHM COc1cc(C(=O)Nc2cccc(Nc3cnn(C)c3)c2)cc(OC)c1[O-] ZINC000491114717 503274568 /nfs/dbraw/zinc/27/45/68/503274568.db2.gz BAHRGULRRSNOHY-UHFFFAOYSA-N -1 3 368.393 3.139 20 0 FGADHM O=C1C[C@@H]([N-]S(=O)(=O)c2ccccc2Br)c2ccccc21 ZINC000498874760 503280619 /nfs/dbraw/zinc/28/06/19/503280619.db2.gz QYBFWAGQTNLUGH-CYBMUJFWSA-N -1 3 366.236 3.055 20 0 FGADHM COC(=O)c1c(C)csc1[N-]C(=O)c1cnc([C@H]2CCCO2)s1 ZINC000515169274 503283900 /nfs/dbraw/zinc/28/39/00/503283900.db2.gz BKHSPALQNYZKHS-SECBINFHSA-N -1 3 352.437 3.403 20 0 FGADHM CC(C)C[C@H](NC(=O)c1cncc([N-]S(C)(=O)=O)c1)c1cccs1 ZINC000502835550 503284061 /nfs/dbraw/zinc/28/40/61/503284061.db2.gz CIEHWLIKKWMNRG-AWEZNQCLSA-N -1 3 367.496 3.032 20 0 FGADHM CS(=O)(=O)[N-]c1cncc(C(=O)N2CCCC3(C2)CCCCCC3)c1 ZINC000502836613 503284983 /nfs/dbraw/zinc/28/49/83/503284983.db2.gz XTHCUYYHFXVXJT-UHFFFAOYSA-N -1 3 365.499 3.030 20 0 FGADHM O=S(=O)([N-][C@H](CO)CC1CCCC1)c1cccc(Cl)c1Cl ZINC000511256368 503288607 /nfs/dbraw/zinc/28/86/07/503288607.db2.gz FPXOXGUEOJZBIN-NSHDSACASA-N -1 3 352.283 3.213 20 0 FGADHM CCN(CC)[C@@H](C[N-]S(=O)(=O)c1cccc(F)c1F)c1ccsc1 ZINC000507393616 503292649 /nfs/dbraw/zinc/29/26/49/503292649.db2.gz YHWDVTQBPDSZOZ-AWEZNQCLSA-N -1 3 374.478 3.388 20 0 FGADHM CCCOc1ccc(C[N-]S(=O)(=O)c2cccc(F)c2F)cc1OC ZINC000507391442 503293004 /nfs/dbraw/zinc/29/30/04/503293004.db2.gz OCFGLBMYLWHXEG-UHFFFAOYSA-N -1 3 371.405 3.241 20 0 FGADHM C[C@@H]1CCCC[C@@H]1OCC(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000511358139 503306433 /nfs/dbraw/zinc/30/64/33/503306433.db2.gz ATPWLFWMABLHEO-RISCZKNCSA-N -1 3 366.259 3.053 20 0 FGADHM CS(=O)(=O)[N-]c1cncc(C(=O)N2CCC[C@H]2CC2CCCCC2)c1 ZINC000502961054 503315556 /nfs/dbraw/zinc/31/55/56/503315556.db2.gz LZWAEAXWOHEVQJ-KRWDZBQOSA-N -1 3 365.499 3.028 20 0 FGADHM C[C@H](CNC(=O)N=c1[n-]nc(-c2ccsc2)s1)N1CCCC[C@H]1C ZINC000503045619 503333863 /nfs/dbraw/zinc/33/38/63/503333863.db2.gz BEPRDZJOSOCNMZ-VXGBXAGGSA-N -1 3 365.528 3.073 20 0 FGADHM CCCCc1n[n-]c(=NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)s1 ZINC000503051157 503336026 /nfs/dbraw/zinc/33/60/26/503336026.db2.gz HHJYSVDRVSVBJI-INIZCTEOSA-N -1 3 373.526 3.089 20 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/nfs/dbraw/zinc/35/55/32/503355532.db2.gz UKHKLGUIPGXZKV-QWHCGFSZSA-N -1 3 353.536 3.106 20 0 FGADHM CCC(CC)c1n[n-]c(=NC(=O)NC[C@H](C)N2CCC[C@H](C)C2)s1 ZINC000503148033 503355690 /nfs/dbraw/zinc/35/56/90/503355690.db2.gz UKHKLGUIPGXZKV-STQMWFEESA-N -1 3 353.536 3.106 20 0 FGADHM CCCCCOc1cc(CNC2(c3nn[n-]n3)CCCC2)ccc1OC ZINC000499254290 503366658 /nfs/dbraw/zinc/36/66/58/503366658.db2.gz VCZDPUCOPUEIEP-UHFFFAOYSA-N -1 3 359.474 3.336 20 0 FGADHM CC(C)(C)Oc1cccc(C[N-]S(=O)(=O)c2cc(F)cc(F)c2)n1 ZINC000503237098 503374361 /nfs/dbraw/zinc/37/43/61/503374361.db2.gz OZRYPRBQNDLGBK-UHFFFAOYSA-N -1 3 356.394 3.016 20 0 FGADHM O=C(Nc1ccc(-n2cccn2)c(Cl)c1)c1cc(F)cc2[n-]nnc21 ZINC000503289767 503384857 /nfs/dbraw/zinc/38/48/57/503384857.db2.gz ZBTWXKLHFSOBDV-UHFFFAOYSA-N -1 3 356.748 3.188 20 0 FGADHM O=C(Nc1ccc(-n2cccn2)c(Cl)c1)c1cc(F)cc2nn[n-]c21 ZINC000503289767 503384858 /nfs/dbraw/zinc/38/48/58/503384858.db2.gz ZBTWXKLHFSOBDV-UHFFFAOYSA-N -1 3 356.748 3.188 20 0 FGADHM O=C(Nc1ccc(-n2cccn2)c(Cl)c1)c1cc(F)cc2n[n-]nc21 ZINC000503289767 503384860 /nfs/dbraw/zinc/38/48/60/503384860.db2.gz ZBTWXKLHFSOBDV-UHFFFAOYSA-N -1 3 356.748 3.188 20 0 FGADHM C[C@H]1CC(C(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)C[C@H](C)C1 ZINC000503334474 503390751 /nfs/dbraw/zinc/39/07/51/503390751.db2.gz RBWGLZLXLJJIGL-VXGBXAGGSA-N -1 3 368.474 3.277 20 0 FGADHM CC(C)(C)c1nnc([N-]C(=O)c2cn(-c3ccc(Cl)cc3)nn2)s1 ZINC000515728704 503391683 /nfs/dbraw/zinc/39/16/83/503391683.db2.gz ZNWLYRDIQNIAJL-UHFFFAOYSA-N -1 3 362.846 3.322 20 0 FGADHM CCn1cnc(S(=O)(=O)[N-][C@H](CC(F)(F)F)c2ccc(F)cc2)c1 ZINC000507910091 503392679 /nfs/dbraw/zinc/39/26/79/503392679.db2.gz VAFPUAASBMVLKN-GFCCVEGCSA-N -1 3 365.352 3.014 20 0 FGADHM O=C(CCCc1ccccc1)N1CCN(Cc2c(F)ccc([O-])c2F)CC1 ZINC000507966421 503405888 /nfs/dbraw/zinc/40/58/88/503405888.db2.gz DTZZDCNNIWJQRA-UHFFFAOYSA-N -1 3 374.431 3.338 20 0 FGADHM O=S(=O)([N-][C@@H](c1ccc(Cl)cc1)C1CC1)c1cn2c(n1)CCCC2 ZINC000503450785 503412925 /nfs/dbraw/zinc/41/29/25/503412925.db2.gz XVOZXYXPELTCLG-QGZVFWFLSA-N -1 3 365.886 3.302 20 0 FGADHM C[C@H](CC(C)(C)c1ccccc1)[N-]S(=O)(=O)c1cn2c(n1)CCCC2 ZINC000503479918 503418296 /nfs/dbraw/zinc/41/82/96/503418296.db2.gz TZJRPMPVKNNWGY-OAHLLOKOSA-N -1 3 361.511 3.254 20 0 FGADHM O=S(=O)([N-]C1(C(F)F)CCCCC1)c1cnn(-c2ccccc2F)c1 ZINC000508072818 503424290 /nfs/dbraw/zinc/42/42/90/503424290.db2.gz IAYGHXQBTMFEEJ-UHFFFAOYSA-N -1 3 373.400 3.258 20 0 FGADHM O=C(N=c1[nH][n-]cc1Br)c1cnc(-c2ccccc2F)s1 ZINC000516033176 503435932 /nfs/dbraw/zinc/43/59/32/503435932.db2.gz QRTITEIRNQOKNX-UHFFFAOYSA-N -1 3 367.203 3.109 20 0 FGADHM CCn1c(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)cc2ccccc21 ZINC000516042571 503437157 /nfs/dbraw/zinc/43/71/57/503437157.db2.gz WLBPBINOLOTPCJ-UHFFFAOYSA-N -1 3 357.435 3.285 20 0 FGADHM CC(=O)c1cccc(NC(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2C(F)(F)F)c1[O-] ZINC000516069097 503440580 /nfs/dbraw/zinc/44/05/80/503440580.db2.gz UFEPHLIOMXDKFU-CHWSQXEVSA-N -1 3 372.387 3.442 20 0 FGADHM C[C@@H](CC(=O)[O-])CC(=O)N[C@@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000516087761 503443954 /nfs/dbraw/zinc/44/39/54/503443954.db2.gz AIGSNEFZEAUCRK-QAPCUYQASA-N -1 3 360.498 3.077 20 0 FGADHM CCCN(CC)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000499666560 503452749 /nfs/dbraw/zinc/45/27/49/503452749.db2.gz DUJBVJBXDFMRGW-UHFFFAOYSA-N -1 3 364.442 3.499 20 0 FGADHM CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)c1cc(F)cc2nn[n-]c21 ZINC000503661493 503453365 /nfs/dbraw/zinc/45/33/65/503453365.db2.gz BDCJCCDVOUHCTD-FVMDXXJSSA-N -1 3 362.792 3.256 20 0 FGADHM CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)c1cc(F)cc2[n-]nnc21 ZINC000503661493 503453371 /nfs/dbraw/zinc/45/33/71/503453371.db2.gz BDCJCCDVOUHCTD-FVMDXXJSSA-N -1 3 362.792 3.256 20 0 FGADHM CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000503661493 503453376 /nfs/dbraw/zinc/45/33/76/503453376.db2.gz BDCJCCDVOUHCTD-FVMDXXJSSA-N -1 3 362.792 3.256 20 0 FGADHM Cc1ccc([C@H]2CCC[C@H]2N(C)C(=O)c2cnc3c(cnn3C)c2[O-])cc1 ZINC000512091590 503455835 /nfs/dbraw/zinc/45/58/35/503455835.db2.gz SBEHVLKBTSXEMU-CRAIPNDOSA-N -1 3 364.449 3.391 20 0 FGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](C)[C@H]2CCCOC2)c1Cl ZINC000503741791 503467991 /nfs/dbraw/zinc/46/79/91/503467991.db2.gz YEPIYWFFUMYDQJ-MNOVXSKESA-N -1 3 352.283 3.395 20 0 FGADHM Cc1cc(C(=O)N[C@@H]2CCCN(c3ccccc3Cl)C2=O)ccc1[O-] ZINC000499831955 503491524 /nfs/dbraw/zinc/49/15/24/503491524.db2.gz IEPYIRDBPXSVAI-OAHLLOKOSA-N -1 3 358.825 3.279 20 0 FGADHM Cc1cc(C(=O)NCCc2nc(-c3cccc(Cl)c3)no2)ccc1[O-] ZINC000499876409 503499150 /nfs/dbraw/zinc/49/91/50/503499150.db2.gz UAOFVCWFVYTZGP-UHFFFAOYSA-N -1 3 357.797 3.377 20 0 FGADHM CCc1ocnc1C(=O)[N-]c1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000512276871 503506164 /nfs/dbraw/zinc/50/61/64/503506164.db2.gz FLZYTCXOJKWEJF-UHFFFAOYSA-N -1 3 362.187 3.037 20 0 FGADHM CCCOc1ccc([C@@H](C)NC(=O)c2cc(F)cc3nn[n-]c32)cc1OC ZINC000504004911 503509088 /nfs/dbraw/zinc/50/90/88/503509088.db2.gz XONVSYQZLFSQNT-LLVKDONJSA-N -1 3 372.400 3.385 20 0 FGADHM CCCOc1ccc([C@@H](C)NC(=O)c2cc(F)cc3[n-]nnc32)cc1OC ZINC000504004911 503509093 /nfs/dbraw/zinc/50/90/93/503509093.db2.gz XONVSYQZLFSQNT-LLVKDONJSA-N -1 3 372.400 3.385 20 0 FGADHM CCCOc1ccc([C@@H](C)NC(=O)c2cc(F)cc3n[n-]nc32)cc1OC ZINC000504004911 503509097 /nfs/dbraw/zinc/50/90/97/503509097.db2.gz XONVSYQZLFSQNT-LLVKDONJSA-N -1 3 372.400 3.385 20 0 FGADHM C[C@]1(C[N-]S(=O)(=O)c2cccs2)CCCN1Cc1ccccc1 ZINC000494295645 503521771 /nfs/dbraw/zinc/52/17/71/503521771.db2.gz MHHIPFASGDNOGF-QGZVFWFLSA-N -1 3 350.509 3.081 20 0 FGADHM CCOC(=O)c1nnsc1[N-]C(=O)CO[C@@H]1C[C@@H](C)CC[C@H]1C(C)C ZINC000512360670 503528096 /nfs/dbraw/zinc/52/80/96/503528096.db2.gz BVMWLVLWDWXEBP-RWMBFGLXSA-N -1 3 369.487 3.131 20 0 FGADHM CC1(C)CCC[C@H]1c1nc(-c2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)no1 ZINC000516601043 503546963 /nfs/dbraw/zinc/54/69/63/503546963.db2.gz QSXDUTYGALSTFQ-ORAYPTAESA-N -1 3 354.410 3.085 20 0 FGADHM Cc1cc(C(=O)N2CC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)ccc1[O-] ZINC000500077852 503547071 /nfs/dbraw/zinc/54/70/71/503547071.db2.gz UQYRVSDXCJUXLS-CQSZACIVSA-N -1 3 366.339 3.408 20 0 FGADHM COc1cc(CNC(=O)c2cccc([O-])c2)ccc1OCc1cccnc1 ZINC000508782754 503563864 /nfs/dbraw/zinc/56/38/64/503563864.db2.gz DOYWLMZDUNATQS-UHFFFAOYSA-N -1 3 364.401 3.305 20 0 FGADHM COc1ccc([C@H]([N-]S(=O)(=O)c2ccoc2)c2ccc(F)cc2)cc1 ZINC000508788539 503564831 /nfs/dbraw/zinc/56/48/31/503564831.db2.gz GZALQXBNULQCQM-GOSISDBHSA-N -1 3 361.394 3.495 20 0 FGADHM Cc1noc(C)c1S(=O)(=O)[N-]Cc1ccc(OC2CCCCC2)cc1 ZINC000504526194 503583939 /nfs/dbraw/zinc/58/39/39/503583939.db2.gz DREPJYQPTGUOMU-UHFFFAOYSA-N -1 3 364.467 3.481 20 0 FGADHM CCN(C[C@@H]1CCN(Cc2c(F)ccc([O-])c2F)C1)CC(F)(F)F ZINC000508876512 503586311 /nfs/dbraw/zinc/58/63/11/503586311.db2.gz UZVKNODBNNWGQU-NSHDSACASA-N -1 3 352.347 3.377 20 0 FGADHM O=S(=O)([N-]CCc1ccccn1)c1cc(Cl)ccc1C(F)(F)F ZINC000508897348 503593100 /nfs/dbraw/zinc/59/31/00/503593100.db2.gz WOUVCIKTGKLOFD-UHFFFAOYSA-N -1 3 364.776 3.275 20 0 FGADHM Cc1cc(C(=O)N[C@H](Cc2ccccc2)C(=O)OC(C)(C)C)ccc1[O-] ZINC000500300125 503599196 /nfs/dbraw/zinc/59/91/96/503599196.db2.gz CGLXKIFWWOODFE-QGZVFWFLSA-N -1 3 355.434 3.383 20 0 FGADHM Cc1cccc2c(=O)c(C(=O)N3CCC[C@@H]3[C@@H]3C[C@@H](C)CC[C@H]3O)c[n-]c12 ZINC000500324495 503603013 /nfs/dbraw/zinc/60/30/13/503603013.db2.gz RXITXWQTIIQFJV-PTKHLAPESA-N -1 3 368.477 3.238 20 0 FGADHM COc1ccc([O-])c(C(=O)N[C@]2(Cc3ccc(Cl)cc3)CCOC2)c1 ZINC000500323818 503603439 /nfs/dbraw/zinc/60/34/39/503603439.db2.gz RDQIJAPHRVBCDB-IBGZPJMESA-N -1 3 361.825 3.186 20 0 FGADHM O=C([O-])[C@H]1CCO[C@H]1C1CCN(Cc2ccccc2C(F)(F)F)CC1 ZINC000516872843 503605224 /nfs/dbraw/zinc/60/52/24/503605224.db2.gz RBPUNGFDJJEOFN-HOCLYGCPSA-N -1 3 357.372 3.407 20 0 FGADHM CO[C@@H](CS(=O)(=O)[N-]c1ccc(Oc2ccccc2F)nc1)C1CC1 ZINC000516926753 503620938 /nfs/dbraw/zinc/62/09/38/503620938.db2.gz JZUQMYBWLUBDRY-INIZCTEOSA-N -1 3 366.414 3.180 20 0 FGADHM CC(C)CCOCC[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000500431505 503623648 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/nfs/dbraw/zinc/12/30/75/504123075.db2.gz QTDFOYFJXLFNRA-CQSZACIVSA-N -1 3 354.454 3.190 20 0 FGADHM COc1cc(=NC(=O)N[C@H](COc2c(C)cccc2C)C(C)(C)C)[n-]n1C ZINC000547516980 504135237 /nfs/dbraw/zinc/13/52/37/504135237.db2.gz NMCASKWKXVENSB-OAHLLOKOSA-N -1 3 374.485 3.083 20 0 FGADHM COc1cccc(Nc2ccccc2C(=O)NCc2cnc(C)[n-]c2=O)c1 ZINC000541456309 504135582 /nfs/dbraw/zinc/13/55/82/504135582.db2.gz PJJGYWVNPLTIAZ-UHFFFAOYSA-N -1 3 364.405 3.173 20 0 FGADHM Cc1ncc(CNC(=O)N[C@@H](Cc2ccccc2)c2cccs2)c(=O)[n-]1 ZINC000541489679 504147270 /nfs/dbraw/zinc/14/72/70/504147270.db2.gz CECSXWWMEBRIBA-INIZCTEOSA-N -1 3 368.462 3.335 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCN([C@H](C)c3ccccc3)C2)c(F)c1 ZINC000519149310 504150979 /nfs/dbraw/zinc/15/09/79/504150979.db2.gz JKPJWKGRTHKGSJ-WBVHZDCISA-N -1 3 362.470 3.248 20 0 FGADHM Cc1ccc([O-])c(NC(=O)[C@H](C)Oc2ccccc2Br)n1 ZINC000541514263 504157488 /nfs/dbraw/zinc/15/74/88/504157488.db2.gz DCNGRMOZLKAQAN-JTQLQIEISA-N -1 3 351.200 3.264 20 0 FGADHM COc1cccc(OC(F)(F)F)c1S(=O)(=O)[N-]C1(C)CCCC1 ZINC000528312297 504163786 /nfs/dbraw/zinc/16/37/86/504163786.db2.gz RJNDKMQYQUUTJN-UHFFFAOYSA-N -1 3 353.362 3.205 20 0 FGADHM CCCOc1ccc(Cl)cc1NC(=O)NCc1cnc(C)[n-]c1=O ZINC000519224702 504168830 /nfs/dbraw/zinc/16/88/30/504168830.db2.gz STEINTMAYJTYIQ-UHFFFAOYSA-N -1 3 350.806 3.255 20 0 FGADHM C[C@H]1CCN(C(=O)CNC(=O)c2cccc([O-])c2)c2ccccc2S1 ZINC000547651050 504169008 /nfs/dbraw/zinc/16/90/08/504169008.db2.gz ZRFDUMKUYWVVCU-ZDUSSCGKSA-N -1 3 356.447 3.040 20 0 FGADHM O=C(c1ccc2c(c1[O-])CCCC2)N1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000544557363 504173802 /nfs/dbraw/zinc/17/38/02/504173802.db2.gz CHFRNLLTRRVXIO-MRXNPFEDSA-N -1 3 357.372 3.046 20 0 FGADHM Cc1ccncc1NC(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000541575952 504182598 /nfs/dbraw/zinc/18/25/98/504182598.db2.gz MTXCROYKVPTQNQ-UHFFFAOYSA-N -1 3 358.195 3.246 20 0 FGADHM Cc1ccncc1NC(=O)c1cnc2ccc(Br)cc2c1[O-] ZINC000541575952 504182601 /nfs/dbraw/zinc/18/26/01/504182601.db2.gz 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355.793 3.235 20 0 FGADHM C[C@H]1Cc2cc(S(=O)(=O)[N-]C3(C(F)(F)F)CCC3)cc(Cl)c2O1 ZINC000544837547 504274839 /nfs/dbraw/zinc/27/48/39/504274839.db2.gz VJPXFNYKAIZMJB-QMMMGPOBSA-N -1 3 369.792 3.427 20 0 FGADHM CCc1cccc2c(C3CCN(c4nc5[nH][n-]cc-5c(=N)n4)CC3)c[nH]c21 ZINC000544857830 504282076 /nfs/dbraw/zinc/28/20/76/504282076.db2.gz RIIKGWCEVOEULY-UHFFFAOYSA-N -1 3 361.453 3.145 20 0 FGADHM CC[C@@H](C[N-]S(=O)(=O)Cc1ccc(F)cc1F)Oc1cccc(F)c1 ZINC000541870915 504282908 /nfs/dbraw/zinc/28/29/08/504282908.db2.gz QULOMBYBZSIPRI-HNNXBMFYSA-N -1 3 373.396 3.381 20 0 FGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@H](C)[C@H]3CCCOC3)s2)cs1 ZINC000541870074 504283524 /nfs/dbraw/zinc/28/35/24/504283524.db2.gz WAAKIMDORZPIFG-PWSUYJOCSA-N -1 3 372.537 3.273 20 0 FGADHM O=C(NCCNc1ncc(C(F)(F)F)cc1Cl)c1cccc([O-])c1 ZINC000541890950 504292228 /nfs/dbraw/zinc/29/22/28/504292228.db2.gz CNUFZMIHRJNRIT-UHFFFAOYSA-N -1 3 359.735 3.301 20 0 FGADHM C[C@]1(c2ccc(-c3noc(-c4cc5ccccc5o4)n3)cc2)NC(=O)[N-]C1=O ZINC000544912798 504298546 /nfs/dbraw/zinc/29/85/46/504298546.db2.gz YNYTZAXKFGGKHI-HXUWFJFHSA-N -1 3 374.356 3.204 20 0 FGADHM O=S(=O)([N-]C1CCC(c2ccc(F)cc2)CC1)c1cncc(F)c1 ZINC000541915343 504300774 /nfs/dbraw/zinc/30/07/74/504300774.db2.gz IQMUWLZAPLHNIQ-UHFFFAOYSA-N -1 3 352.406 3.365 20 0 FGADHM C[C@H](C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)N1CCCC1 ZINC000548042476 504307816 /nfs/dbraw/zinc/30/78/16/504307816.db2.gz WSOOKPQYDBVTBI-SECBINFHSA-N -1 3 371.717 3.409 20 0 FGADHM C[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F)N1CCCC1 ZINC000548042330 504307903 /nfs/dbraw/zinc/30/79/03/504307903.db2.gz GLFMFJIBJPCMBV-JTQLQIEISA-N -1 3 370.824 3.121 20 0 FGADHM Cc1ccc([C@H](C[N-]S(=O)(=O)c2cccc(C)c2F)N(C)C)cc1 ZINC000541945456 504312112 /nfs/dbraw/zinc/31/21/12/504312112.db2.gz FSVVEIODLCCNPL-INIZCTEOSA-N -1 3 350.459 3.024 20 0 FGADHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)N[C@@H](c1ccccc1)C(F)(F)F ZINC000548067135 504317805 /nfs/dbraw/zinc/31/78/05/504317805.db2.gz KEEQZPMNSDUJME-JSGCOSHPSA-N -1 3 354.332 3.108 20 0 FGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](CC(C)(C)C)C(F)(F)F)cc1 ZINC000538669225 504320926 /nfs/dbraw/zinc/32/09/26/504320926.db2.gz XIEKXWJGYHTDIQ-GFCCVEGCSA-N -1 3 367.389 3.119 20 0 FGADHM Cc1nc(C)c(CC(=O)N[C@H]2CC=C(c3ccc(F)cc3)CC2)c(=O)[n-]1 ZINC000538700879 504331619 /nfs/dbraw/zinc/33/16/19/504331619.db2.gz FBGSOVRMWUGRAS-KRWDZBQOSA-N -1 3 355.413 3.233 20 0 FGADHM Cn1cc(C(=O)[N-]c2nnc(Cc3cccc(F)c3)s2)c(C(F)F)n1 ZINC000535109966 504345420 /nfs/dbraw/zinc/34/54/20/504345420.db2.gz GHVWRJHLMYMAMY-UHFFFAOYSA-N -1 3 367.356 3.191 20 0 FGADHM COC(=O)C1(N(C)Cc2cc([O-])ccc2Br)CCCCC1 ZINC000538729426 504347387 /nfs/dbraw/zinc/34/73/87/504347387.db2.gz OERGMQPCWYSPJG-UHFFFAOYSA-N -1 3 356.260 3.462 20 0 FGADHM O=S(=O)([N-][C@H](CCCO)c1ccccc1)c1cc(F)cc(Cl)c1 ZINC000535141629 504354325 /nfs/dbraw/zinc/35/43/25/504354325.db2.gz IYAGDJFJASOHEC-MRXNPFEDSA-N -1 3 357.834 3.271 20 0 FGADHM COc1cc(=NC(=O)N(C)[C@@H](C)[C@H](C)c2ccc(Cl)cc2)[n-]n1C ZINC000548166719 504355450 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C[C@H]1CCN(C(=O)c2cc([O-])cc(Br)c2)C[C@H]1n1ccnc1 ZINC000528824808 504400878 /nfs/dbraw/zinc/40/08/78/504400878.db2.gz GKJDZOSLJYIKTM-XHDPSFHLSA-N -1 3 364.243 3.075 20 0 FGADHM C[C@H]1CCC[C@@H]1CNC(=O)Cc1csc(NC(=O)c2cccc([O-])c2)n1 ZINC000535328836 504403952 /nfs/dbraw/zinc/40/39/52/504403952.db2.gz DVHDEFGLEOXYIO-GXTWGEPZSA-N -1 3 373.478 3.196 20 0 FGADHM CCOC[C@H](C)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000531721621 504404191 /nfs/dbraw/zinc/40/41/91/504404191.db2.gz NKWOGTRZWCWEOX-AWEZNQCLSA-N -1 3 366.458 3.141 20 0 FGADHM Cc1nc(C)c(CC(=O)N(CCc2ccccc2F)C2CCCC2)c(=O)[n-]1 ZINC000520150025 504419032 /nfs/dbraw/zinc/41/90/32/504419032.db2.gz CDDMJGJXJZRBSC-UHFFFAOYSA-N -1 3 371.456 3.495 20 0 FGADHM O=C(NCCC[C@H]1CCCC[C@@H]1O)c1cc([O-])cc(Br)c1 ZINC000528861147 504420660 /nfs/dbraw/zinc/42/06/60/504420660.db2.gz GQLBGUBNKDKNBQ-ABAIWWIYSA-N -1 3 356.260 3.216 20 0 FGADHM Cc1nc(-c2ccc(NC(=O)N(C)CCC3CCOCC3)cc2)cc(=O)[n-]1 ZINC000531811488 504432907 /nfs/dbraw/zinc/43/29/07/504432907.db2.gz IYQOGZKFMIWTKW-UHFFFAOYSA-N -1 3 370.453 3.438 20 0 FGADHM CN(CCc1cccs1)C(=O)Cc1ccc(Br)cc1[O-] ZINC000548405308 504433179 /nfs/dbraw/zinc/43/31/79/504433179.db2.gz LEDFXZATDWVLFX-UHFFFAOYSA-N -1 3 354.269 3.460 20 0 FGADHM CCc1cnc(CN(C)C(=O)Cc2ccc(Br)cc2[O-])s1 ZINC000548405178 504433824 /nfs/dbraw/zinc/43/38/24/504433824.db2.gz CHDDRKPVZAVBTQ-UHFFFAOYSA-N -1 3 369.284 3.375 20 0 FGADHM Cc1ccccc1-c1cc(=NC(=O)c2ccnc(OCC(F)F)c2)[nH][n-]1 ZINC000535474041 504445374 /nfs/dbraw/zinc/44/53/74/504445374.db2.gz FOQBDYXSBPIIGD-UHFFFAOYSA-N -1 3 358.348 3.098 20 0 FGADHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)cc2)cc1 ZINC000520280674 504453438 /nfs/dbraw/zinc/45/34/38/504453438.db2.gz SUGVLZWQAIRBBZ-UHFFFAOYSA-N -1 3 357.435 3.462 20 0 FGADHM CCOC(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2c2cccc(OC)c2)c([O-])c1 ZINC000535536302 504463737 /nfs/dbraw/zinc/46/37/37/504463737.db2.gz AKUUENNLGGVKRE-HZPDHXFCSA-N -1 3 355.390 3.320 20 0 FGADHM Cc1ccc(NC(=O)NCc2cnc(C)[n-]c2=O)cc1NC(=O)C(C)(C)C ZINC000542376291 504466820 /nfs/dbraw/zinc/46/68/20/504466820.db2.gz JJQCUENTDWNANM-UHFFFAOYSA-N -1 3 371.441 3.105 20 0 FGADHM O=S(=O)([N-]CCc1nc2c(s1)CCCC2)c1cccc(Cl)c1F ZINC000535565314 504472675 /nfs/dbraw/zinc/47/26/75/504472675.db2.gz VSOYHUQHTBAVFU-UHFFFAOYSA-N -1 3 374.890 3.335 20 0 FGADHM Cc1cc(C)c2[n-]cc(C(=O)N3CCC[C@H]([C@H]4CCOC4)C3)c(=O)c2c1 ZINC000548515689 504474213 /nfs/dbraw/zinc/47/42/13/504474213.db2.gz WZBYWTOAAYDWML-HOTGVXAUSA-N -1 3 354.450 3.034 20 0 FGADHM CCC[C@H]([N-]S(=O)(=O)c1oc2ccc(Cl)cc2c1C)C(=O)OC ZINC000539115424 504479589 /nfs/dbraw/zinc/47/95/89/504479589.db2.gz QAQVJRQEQSSSRG-LBPRGKRZSA-N -1 3 359.831 3.015 20 0 FGADHM C[C@@H]1C[C@@H]1C[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000548620969 504499481 /nfs/dbraw/zinc/49/94/81/504499481.db2.gz AQJPBBOBSKMOCJ-NFAWXSAZSA-N -1 3 373.902 3.222 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)NC[C@@H](c3ccsc3)N(C)C)c[n-]c12 ZINC000532023447 504509078 /nfs/dbraw/zinc/50/90/78/504509078.db2.gz KOWOVSFMNSYUGQ-INIZCTEOSA-N -1 3 373.453 3.070 20 0 FGADHM Cc1cc([N-]C(=O)[C@H](C)N2CCn3c(cc4cc(Cl)ccc43)C2)on1 ZINC000520480990 504509684 /nfs/dbraw/zinc/50/96/84/504509684.db2.gz HGSNADHNJFVITH-LBPRGKRZSA-N -1 3 358.829 3.434 20 0 FGADHM Cc1cccc(C2(CNC(=O)c3ccc4c(c3)C(=O)[N-]C4=O)CCCC2)c1 ZINC000520567198 504530081 /nfs/dbraw/zinc/53/00/81/504530081.db2.gz QWCLXZOUCGBVAB-UHFFFAOYSA-N -1 3 362.429 3.120 20 0 FGADHM COc1ccc(CN(C)C)cc1[N-]S(=O)(=O)c1cc(C)c(C)s1 ZINC000548696227 504531546 /nfs/dbraw/zinc/53/15/46/504531546.db2.gz MJSWWWCETLKMQM-UHFFFAOYSA-N -1 3 354.497 3.236 20 0 FGADHM Cc1cc(C)cc(Cc2noc(-c3ccc([N-]S(C)(=O)=O)cc3)n2)c1 ZINC000545613880 504542839 /nfs/dbraw/zinc/54/28/39/504542839.db2.gz BIIQOKUUPIUADC-UHFFFAOYSA-N -1 3 357.435 3.316 20 0 FGADHM CC(C)c1nc([C@@H]2CCCCCN2C(=O)N=c2cc3ccccn3[n-]2)no1 ZINC000548763581 504556973 /nfs/dbraw/zinc/55/69/73/504556973.db2.gz TUSQKKXGLSCNPK-HNNXBMFYSA-N -1 3 368.441 3.412 20 0 FGADHM CC(C)(C)c1ccc(C(=O)Nc2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)s1 ZINC000532168230 504557723 /nfs/dbraw/zinc/55/77/23/504557723.db2.gz NDFBKNJYGGTZHY-IBGZPJMESA-N -1 3 371.462 3.353 20 0 FGADHM COCCN(C(=O)c1cc([O-])cc(Br)c1)[C@@H]1CCC[C@@H]1C ZINC000529159889 504559851 /nfs/dbraw/zinc/55/98/51/504559851.db2.gz JXXHGJPHOBCPOF-XHDPSFHLSA-N -1 3 356.260 3.432 20 0 FGADHM COC[C@H](c1ccc(Cl)cc1)N(C)C(=O)N=c1cc2ccccn2[n-]1 ZINC000548772878 504560744 /nfs/dbraw/zinc/56/07/44/504560744.db2.gz YPTITOJOUJZDDH-MRXNPFEDSA-N -1 3 358.829 3.261 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)c2cccc(Cn3ccnc3)c2)c1-c1ccccc1 ZINC000548779951 504564112 /nfs/dbraw/zinc/56/41/12/504564112.db2.gz NJPXOFPRQPVUKJ-UHFFFAOYSA-N -1 3 357.417 3.304 20 0 FGADHM Cc1cc(NC(=O)c2ccc3c(c2[O-])CCCC3)n(C2CCOCC2)n1 ZINC000542653484 504565360 /nfs/dbraw/zinc/56/53/60/504565360.db2.gz GKRJKYHHFDKLOD-UHFFFAOYSA-N -1 3 355.438 3.380 20 0 FGADHM C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)C[C@@H]1C ZINC000542738435 504592045 /nfs/dbraw/zinc/59/20/45/504592045.db2.gz GIYRNDOPHLBDRP-MDZLAQPJSA-N -1 3 370.902 3.328 20 0 FGADHM O=C(CNC(=O)c1ccc([O-])cc1)N1CCC[C@H]1CCCc1ccccc1 ZINC000532272869 504593410 /nfs/dbraw/zinc/59/34/10/504593410.db2.gz IEACJLAFUNRILT-LJQANCHMSA-N -1 3 366.461 3.136 20 0 FGADHM CCN=c1[n-]c(C(=O)N2CCC(CCc3ccc(O)cc3)CC2)cs1 ZINC000532276834 504596379 /nfs/dbraw/zinc/59/63/79/504596379.db2.gz YNNIASAHKVXOPE-UHFFFAOYSA-N -1 3 359.495 3.187 20 0 FGADHM O=S(=O)([N-]Cc1cc(Cl)cc2c1OCC2)c1cc(F)cc(F)c1 ZINC000542757664 504596922 /nfs/dbraw/zinc/59/69/22/504596922.db2.gz WNICUNSJXVMKRO-UHFFFAOYSA-N -1 3 359.781 3.032 20 0 FGADHM COCC(C)(C)CCC[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000520861521 504598555 /nfs/dbraw/zinc/59/85/55/504598555.db2.gz ONBNTTLIKMTVTL-UHFFFAOYSA-N -1 3 370.334 3.242 20 0 FGADHM CCOC(=O)c1sc([C@@H](C)NC(=O)c2cccc(CC)c2[O-])nc1C ZINC000532311610 504606267 /nfs/dbraw/zinc/60/62/67/504606267.db2.gz DSZAFOFRHGVNBA-LLVKDONJSA-N -1 3 362.451 3.387 20 0 FGADHM Cc1noc(C)c1CO[C@@H]1CCN(C(=O)c2cc3c(cc2[O-])CCCC3)C1 ZINC000545859333 504618378 /nfs/dbraw/zinc/61/83/78/504618378.db2.gz VBMOBUJRNVKQAS-QGZVFWFLSA-N -1 3 370.449 3.307 20 0 FGADHM Cc1nc(-c2ccc(NC(=O)N3CC[C@H](OCC(C)C)C3)cc2)cc(=O)[n-]1 ZINC000532346803 504618463 /nfs/dbraw/zinc/61/84/63/504618463.db2.gz NKSFNNTVQNWREM-KRWDZBQOSA-N -1 3 370.453 3.436 20 0 FGADHM Cc1nc(-c2ccc(NC(=O)N[C@@H]3CCC[C@H]4OCC[C@@H]43)cc2)cc(=O)[n-]1 ZINC000532368913 504625037 /nfs/dbraw/zinc/62/50/37/504625037.db2.gz XAVBLEDMPCLOGF-JFIYKMOQSA-N -1 3 368.437 3.237 20 0 FGADHM C[C@@H](CC(=O)c1cccs1)[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000536086397 504628995 /nfs/dbraw/zinc/62/89/95/504628995.db2.gz BNHRHEBLNBZRNH-QMMMGPOBSA-N -1 3 363.382 3.105 20 0 FGADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]C[C@@]1(C)CCO[C@H]1C1CC1 ZINC000545927115 504641724 /nfs/dbraw/zinc/64/17/24/504641724.db2.gz LPYPQYIRNMFALO-FUHWJXTLSA-N -1 3 367.442 3.364 20 0 FGADHM Cc1cccc(F)c1S(=O)(=O)[N-][C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000548979607 504642788 /nfs/dbraw/zinc/64/27/88/504642788.db2.gz YPOJLWVQPBJRKJ-INIZCTEOSA-N -1 3 370.877 3.369 20 0 FGADHM O=C([O-])C[C@H](NCc1ccc(OCC(F)(F)F)cc1)c1ccncc1 ZINC000521069604 504643438 /nfs/dbraw/zinc/64/34/38/504643438.db2.gz OKRSQMJOUWOWCN-HNNXBMFYSA-N -1 3 354.328 3.328 20 0 FGADHM CC(=O)N1CCc2c1cccc2NC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000546012090 504673850 /nfs/dbraw/zinc/67/38/50/504673850.db2.gz MJFLCPITPAGUMD-UHFFFAOYSA-N -1 3 350.418 3.432 20 0 FGADHM O=C(c1cc([O-])cc(Br)c1)N1CCC(OC2CCC2)CC1 ZINC000529494552 504699084 /nfs/dbraw/zinc/69/90/84/504699084.db2.gz QDVBMNVQROIMHG-UHFFFAOYSA-N -1 3 354.244 3.328 20 0 FGADHM CCOC(=O)CC[C@H](C)[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000536329884 504701073 /nfs/dbraw/zinc/70/10/73/504701073.db2.gz YBEHMEGOARNLEK-JTQLQIEISA-N -1 3 368.282 3.312 20 0 FGADHM CC1(C)CCC[C@@H]1CCNC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000529564624 504729472 /nfs/dbraw/zinc/72/94/72/504729472.db2.gz GSIMWJGSLNELRQ-CYBMUJFWSA-N -1 3 356.463 3.143 20 0 FGADHM O=C1Nc2ccc(S(=O)(=O)[N-]c3cccc(F)c3F)c3cccc1c23 ZINC000521414345 504730009 /nfs/dbraw/zinc/73/00/09/504730009.db2.gz FMOMYKSWQCFQOK-UHFFFAOYSA-N -1 3 360.341 3.485 20 0 FGADHM CC[C@@H](C)n1ncc([N-]S(=O)(=O)N2CCc3ccccc3C2)c1C1CC1 ZINC000536497510 504748335 /nfs/dbraw/zinc/74/83/35/504748335.db2.gz MMNMLZKBEGRTAE-CQSZACIVSA-N -1 3 374.510 3.447 20 0 FGADHM CCOC(=O)c1ccc(NC(=O)c2ccnc(N3CC[C@@H](C)C3)c2)c([O-])c1 ZINC000540028558 504762732 /nfs/dbraw/zinc/76/27/32/504762732.db2.gz HBIWJMNUBITDPW-CYBMUJFWSA-N -1 3 369.421 3.062 20 0 FGADHM Cc1ncc(S(=O)(=O)[N-]C[C@H]2CCCO[C@H]2c2ccc(C)cc2)s1 ZINC000532858307 504768438 /nfs/dbraw/zinc/76/84/38/504768438.db2.gz LBYCLXHIJPOTBE-WBVHZDCISA-N -1 3 366.508 3.206 20 0 FGADHM CC[C@H](NC(=O)CN1CCC[C@H](CC(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000532881325 504770786 /nfs/dbraw/zinc/77/07/86/504770786.db2.gz NWJHTPPUGOAMNB-CJNGLKHVSA-N -1 3 352.862 3.094 20 0 FGADHM CCOC(=O)c1ccc(NC(=O)c2ccc(-n3ccc(C)n3)cc2)c([O-])c1 ZINC000536627577 504771124 /nfs/dbraw/zinc/77/11/24/504771124.db2.gz ZPZPRGDMOBJQCX-UHFFFAOYSA-N -1 3 365.389 3.315 20 0 FGADHM CCc1noc(C)c1C[N-]S(=O)(=O)Cc1ccccc1C(F)(F)F ZINC000559105753 504783398 /nfs/dbraw/zinc/78/33/98/504783398.db2.gz KNSLWXRMRUCXIX-UHFFFAOYSA-N -1 3 362.373 3.184 20 0 FGADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]C1(C(C)C)CC1 ZINC000559139634 504789570 /nfs/dbraw/zinc/78/95/70/504789570.db2.gz YKMLASGVLNKWOQ-UHFFFAOYSA-N -1 3 353.465 3.155 20 0 FGADHM C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CCCC2(CCCCC2)C1 ZINC000565101503 504794253 /nfs/dbraw/zinc/79/42/53/504794253.db2.gz MUGRECAZDJKUDC-MRXNPFEDSA-N -1 3 358.482 3.436 20 0 FGADHM C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CC[C@@](C)(c2ccccc2)C1 ZINC000565108088 504796392 /nfs/dbraw/zinc/79/63/92/504796392.db2.gz ZEENTNDZNBUMSW-KSFYIVLOSA-N -1 3 366.461 3.053 20 0 FGADHM COc1ccc(CCC(=O)N=c2cc3ccccn3[n-]2)cc1Br ZINC000552985896 504798749 /nfs/dbraw/zinc/79/87/49/504798749.db2.gz AHHGEXZXPNZEQS-UHFFFAOYSA-N -1 3 374.238 3.099 20 0 FGADHM Cc1ccc(CCC(=O)N=c2cc3ccccn3[n-]2)c(Br)c1 ZINC000552993379 504800571 /nfs/dbraw/zinc/80/05/71/504800571.db2.gz XODVCJJDYRYCSK-UHFFFAOYSA-N -1 3 358.239 3.398 20 0 FGADHM O=S(=O)(Cc1ccc(C(F)F)cc1)[N-][C@@H]1COc2ccc(F)cc21 ZINC000549405823 504812810 /nfs/dbraw/zinc/81/28/10/504812810.db2.gz MFDFVIKTLOLWFD-CQSZACIVSA-N -1 3 357.353 3.316 20 0 FGADHM Cc1cccc(C)c1CS(=O)(=O)[N-][C@@H](CO)c1cccc(Cl)c1F ZINC000549416332 504816586 /nfs/dbraw/zinc/81/65/86/504816586.db2.gz NJCIZYHYAGZZQQ-INIZCTEOSA-N -1 3 371.861 3.249 20 0 FGADHM [O-]c1coc2cc(OC[C@H](O)COc3cccc4ccccc43)ccc12 ZINC000559283628 504820560 /nfs/dbraw/zinc/82/05/60/504820560.db2.gz QUZPAORCUZOQIX-HNNXBMFYSA-N -1 3 350.370 3.234 20 0 FGADHM C/C=C\c1ccc(OC[C@H](O)COc2ccc3c([O-])coc3c2)c(OC)c1 ZINC000559286415 504820991 /nfs/dbraw/zinc/82/09/91/504820991.db2.gz ZUZBOYHXNFWJAU-ABCZVMIZSA-N -1 3 370.401 3.122 20 0 FGADHM CCc1nc(C(C)(C)NCc2nc3c4ccccc4oc3c(=O)[n-]2)no1 ZINC000562457565 504826717 /nfs/dbraw/zinc/82/67/17/504826717.db2.gz 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/nfs/dbraw/zinc/52/42/68/516524268.db2.gz IMVWTXQBCUZSFA-CYBMUJFWSA-N -1 3 361.515 3.478 20 0 FGADHM C[C@@H](C(=O)N=c1cc2ccc(Br)cn2[n-]1)N1[C@H](C)CC[C@@H]1C ZINC000513741754 516737116 /nfs/dbraw/zinc/73/71/16/516737116.db2.gz CTMMIEFZXHXCHI-TUAOUCFPSA-N -1 3 365.275 3.297 20 0 FGADHM Cc1cccc(CC(=O)N=c2cc(OC(F)F)n(C)[n-]2)c1Br ZINC000529069376 516901552 /nfs/dbraw/zinc/90/15/52/516901552.db2.gz GGBGZZJAWLNJRF-UHFFFAOYSA-N -1 3 374.185 3.274 20 0 FGADHM CN(C)[C@@]1(CN=c2[n-]nc(Cc3ccc(F)cc3)s2)CCSC1 ZINC000541577959 517121743 /nfs/dbraw/zinc/12/17/43/517121743.db2.gz MVJZGAACRQQTOT-MRXNPFEDSA-N -1 3 352.504 3.117 20 0 FGADHM COCCCn1cc(C(=O)N=c2cc(-c3cc(C)cc(C)c3)[n-][nH]2)cn1 ZINC000529502713 517183269 /nfs/dbraw/zinc/18/32/69/517183269.db2.gz CJYYKWQMUSLQKI-UHFFFAOYSA-N -1 3 353.426 3.179 20 0 FGADHM CCc1[n-][nH]c(=NC(=O)c2cccc(F)c2I)c1C ZINC000533544492 517518125 /nfs/dbraw/zinc/51/81/25/517518125.db2.gz ACRCPNXDPZNYRC-UHFFFAOYSA-N -1 3 373.169 3.277 20 0 FGADHM 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S=C(NCCc1cc2ccccc2o1)Nc1ccccc1-c1nnn[n-]1 ZINC000738400226 598828753 /nfs/dbraw/zinc/82/87/53/598828753.db2.gz BCMKESTWKKWLRA-UHFFFAOYSA-N -1 3 364.434 3.142 20 0 FGADHM S=C(NCCc1cc2ccccc2o1)Nc1ccccc1-c1nn[n-]n1 ZINC000738400226 598828755 /nfs/dbraw/zinc/82/87/55/598828755.db2.gz BCMKESTWKKWLRA-UHFFFAOYSA-N -1 3 364.434 3.142 20 0 FGADHM C[C@H]1C[C@H](NC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)C[C@@H](C)C1 ZINC000736223472 598838272 /nfs/dbraw/zinc/83/82/72/598838272.db2.gz ITXFGNZMBJHBRP-VIKVFOODSA-N -1 3 359.499 3.041 20 0 FGADHM C[C@H]1C[C@H](NC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)C[C@@H](C)C1 ZINC000736223472 598838273 /nfs/dbraw/zinc/83/82/73/598838273.db2.gz ITXFGNZMBJHBRP-VIKVFOODSA-N -1 3 359.499 3.041 20 0 FGADHM CC[C@H](c1ccncc1)N(CC)C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000736397804 598838759 /nfs/dbraw/zinc/83/87/59/598838759.db2.gz VUUBQHHSCALXSI-QZEKMECESA-N -1 3 362.437 3.275 20 0 FGADHM CC[C@H](c1ccncc1)N(CC)C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000736397804 598838760 /nfs/dbraw/zinc/83/87/60/598838760.db2.gz VUUBQHHSCALXSI-QZEKMECESA-N -1 3 362.437 3.275 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)Nc1cccc(SC)c1 ZINC000737062059 598852812 /nfs/dbraw/zinc/85/28/12/598852812.db2.gz DVZBAJMABIZTNY-UHFFFAOYSA-N -1 3 356.411 3.241 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)Nc1cccc(SC)c1 ZINC000737062059 598852813 /nfs/dbraw/zinc/85/28/13/598852813.db2.gz DVZBAJMABIZTNY-UHFFFAOYSA-N -1 3 356.411 3.241 20 0 FGADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)c1nc(CCc2ccccc2)no1 ZINC000736186871 598859037 /nfs/dbraw/zinc/85/90/37/598859037.db2.gz FMOWPLQFSASOIE-ZDUSSCGKSA-N -1 3 362.393 3.175 20 0 FGADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)c1nc(CCc2ccccc2)no1 ZINC000736186871 598859039 /nfs/dbraw/zinc/85/90/39/598859039.db2.gz FMOWPLQFSASOIE-ZDUSSCGKSA-N -1 3 362.393 3.175 20 0 FGADHM Cc1noc(C)c1[C@H](C)NC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737541263 598880185 /nfs/dbraw/zinc/88/01/85/598880185.db2.gz ZSIBJVITDJGNSL-ZETCQYMHSA-N -1 3 361.793 3.008 20 0 FGADHM Cc1noc(C)c1[C@H](C)NC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737541263 598880186 /nfs/dbraw/zinc/88/01/86/598880186.db2.gz ZSIBJVITDJGNSL-ZETCQYMHSA-N -1 3 361.793 3.008 20 0 FGADHM CCc1ccc(C(=O)O[C@H](C)COc2cccc(-c3nnn[n-]3)c2)s1 ZINC000736689712 598884927 /nfs/dbraw/zinc/88/49/27/598884927.db2.gz SHNDBZIDJVXEAF-LLVKDONJSA-N -1 3 358.423 3.115 20 0 FGADHM CCc1ccc(C(=O)O[C@H](C)COc2cccc(-c3nn[n-]n3)c2)s1 ZINC000736689712 598884928 /nfs/dbraw/zinc/88/49/28/598884928.db2.gz SHNDBZIDJVXEAF-LLVKDONJSA-N -1 3 358.423 3.115 20 0 FGADHM COC(=O)[C@H](Nc1ccc(CSC)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736898027 598885310 /nfs/dbraw/zinc/88/53/10/598885310.db2.gz OAPWAAQCTMMSOW-MRXNPFEDSA-N -1 3 369.450 3.056 20 0 FGADHM COC(=O)[C@H](Nc1ccc(CSC)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736898027 598885311 /nfs/dbraw/zinc/88/53/11/598885311.db2.gz OAPWAAQCTMMSOW-MRXNPFEDSA-N -1 3 369.450 3.056 20 0 FGADHM Cc1cccc(CCC(=O)O[C@@H](C)COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737391400 598885853 /nfs/dbraw/zinc/88/58/53/598885853.db2.gz AVFHKVOAUKYVSV-HNNXBMFYSA-N -1 3 366.421 3.118 20 0 FGADHM Cc1cccc(CCC(=O)O[C@@H](C)COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737391400 598885856 /nfs/dbraw/zinc/88/58/56/598885856.db2.gz AVFHKVOAUKYVSV-HNNXBMFYSA-N -1 3 366.421 3.118 20 0 FGADHM C[C@@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)C=Cc1cccc(F)c1 ZINC000736038770 598888039 /nfs/dbraw/zinc/88/80/39/598888039.db2.gz XJXJBNYCNFWSNK-XEHSLEBBSA-N -1 3 368.368 3.030 20 0 FGADHM C[C@@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)C=Cc1cccc(F)c1 ZINC000736038770 598888041 /nfs/dbraw/zinc/88/80/41/598888041.db2.gz XJXJBNYCNFWSNK-XEHSLEBBSA-N -1 3 368.368 3.030 20 0 FGADHM CC(=CC(=O)O[C@@H](C)COc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000735446878 598888295 /nfs/dbraw/zinc/88/82/95/598888295.db2.gz HEZLWJDKEGLNGY-SZGZABIGSA-N -1 3 364.405 3.281 20 0 FGADHM CC(=CC(=O)O[C@@H](C)COc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000735446878 598888296 /nfs/dbraw/zinc/88/82/96/598888296.db2.gz HEZLWJDKEGLNGY-SZGZABIGSA-N -1 3 364.405 3.281 20 0 FGADHM CC[C@@H](C)NC(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000736326577 598888448 /nfs/dbraw/zinc/88/84/48/598888448.db2.gz OFKGCBXRJXZCCY-LLVKDONJSA-N -1 3 356.455 3.193 20 0 FGADHM Cc1cccc([C@@H](C)C(=O)OCc2cn3ccccc3c2-c2nnn[n-]2)c1 ZINC000737386205 598902192 /nfs/dbraw/zinc/90/21/92/598902192.db2.gz BDYHPWDRMWFXCF-CQSZACIVSA-N -1 3 361.405 3.275 20 0 FGADHM Cc1cccc([C@@H](C)C(=O)OCc2cn3ccccc3c2-c2nn[n-]n2)c1 ZINC000737386205 598902194 /nfs/dbraw/zinc/90/21/94/598902194.db2.gz BDYHPWDRMWFXCF-CQSZACIVSA-N -1 3 361.405 3.275 20 0 FGADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCCCC[C@H]1C ZINC000735734204 598906672 /nfs/dbraw/zinc/90/66/72/598906672.db2.gz LWADWISSVBNVPU-RHSMWYFYSA-N -1 3 357.458 3.061 20 0 FGADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCCCC[C@H]1C ZINC000735734204 598906673 /nfs/dbraw/zinc/90/66/73/598906673.db2.gz LWADWISSVBNVPU-RHSMWYFYSA-N -1 3 357.458 3.061 20 0 FGADHM CSc1ccc(O[C@@H](C)C(=O)N(C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737189319 598912931 /nfs/dbraw/zinc/91/29/31/598912931.db2.gz FDMWJXKLRMAMQK-LBPRGKRZSA-N -1 3 369.450 3.019 20 0 FGADHM CSc1ccc(O[C@@H](C)C(=O)N(C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737189319 598912932 /nfs/dbraw/zinc/91/29/32/598912932.db2.gz FDMWJXKLRMAMQK-LBPRGKRZSA-N -1 3 369.450 3.019 20 0 FGADHM C[C@@H](NC(=O)NCC(C)(C)c1cccs1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736119540 598919922 /nfs/dbraw/zinc/91/99/22/598919922.db2.gz SHRRKVMWFRNBIB-GFCCVEGCSA-N -1 3 370.482 3.266 20 0 FGADHM C[C@@H](NC(=O)NCC(C)(C)c1cccs1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736119540 598919923 /nfs/dbraw/zinc/91/99/23/598919923.db2.gz SHRRKVMWFRNBIB-GFCCVEGCSA-N -1 3 370.482 3.266 20 0 FGADHM O=C(OCCc1ccc2ccccc2c1)c1sccc1-c1nnn[n-]1 ZINC000738223550 598922495 /nfs/dbraw/zinc/92/24/95/598922495.db2.gz STJPAUKRBJPPHT-UHFFFAOYSA-N -1 3 350.403 3.481 20 0 FGADHM Cc1sc(NC(=O)c2cnc(C)nc2C(C)C)c(-c2nnn[n-]2)c1C ZINC000737490742 598926429 /nfs/dbraw/zinc/92/64/29/598926429.db2.gz WTRKWPWBOIQNLI-UHFFFAOYSA-N -1 3 357.443 3.019 20 0 FGADHM Cc1sc(NC(=O)c2cnc(C)nc2C(C)C)c(-c2nn[n-]n2)c1C ZINC000737490742 598926431 /nfs/dbraw/zinc/92/64/31/598926431.db2.gz WTRKWPWBOIQNLI-UHFFFAOYSA-N -1 3 357.443 3.019 20 0 FGADHM CSCC[C@H](C)NC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821962034 599293012 /nfs/dbraw/zinc/29/30/12/599293012.db2.gz NVTIMFBJGRBBCY-QMMMGPOBSA-N -1 3 374.392 3.149 20 0 FGADHM Clc1cc(-c2nnn[n-]2)cnc1Sc1ccc2c(c1)OCCCO2 ZINC000737556939 598934784 /nfs/dbraw/zinc/93/47/84/598934784.db2.gz ACDUFCLSWJDJFQ-UHFFFAOYSA-N -1 3 361.814 3.228 20 0 FGADHM Clc1cc(-c2nn[n-]n2)cnc1Sc1ccc2c(c1)OCCCO2 ZINC000737556939 598934785 /nfs/dbraw/zinc/93/47/85/598934785.db2.gz ACDUFCLSWJDJFQ-UHFFFAOYSA-N -1 3 361.814 3.228 20 0 FGADHM Clc1cc(-c2nnn[n-]2)cnc1Oc1ccc(Br)cc1 ZINC000737558044 598934944 /nfs/dbraw/zinc/93/49/44/598934944.db2.gz JNNLYSUIIREFCQ-UHFFFAOYSA-N -1 3 352.579 3.470 20 0 FGADHM Clc1cc(-c2nn[n-]n2)cnc1Oc1ccc(Br)cc1 ZINC000737558044 598934945 /nfs/dbraw/zinc/93/49/45/598934945.db2.gz JNNLYSUIIREFCQ-UHFFFAOYSA-N -1 3 352.579 3.470 20 0 FGADHM O=C(Nc1cccc(Nc2ncc(-c3nnn[n-]3)cc2Cl)c1)C1CC1 ZINC000738187820 598937861 /nfs/dbraw/zinc/93/78/61/598937861.db2.gz XNTYXPDBHXSAOL-UHFFFAOYSA-N -1 3 355.789 3.007 20 0 FGADHM O=C(Nc1cccc(Nc2ncc(-c3nn[n-]n3)cc2Cl)c1)C1CC1 ZINC000738187820 598937862 /nfs/dbraw/zinc/93/78/62/598937862.db2.gz XNTYXPDBHXSAOL-UHFFFAOYSA-N -1 3 355.789 3.007 20 0 FGADHM CC[C@@H]1CCC[C@H](NC(=O)[C@@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)C1 ZINC000736394753 598941756 /nfs/dbraw/zinc/94/17/56/598941756.db2.gz FHMFLBDLTACPDR-VKJFTORMSA-N -1 3 371.485 3.355 20 0 FGADHM CC[C@@H]1CCC[C@H](NC(=O)[C@@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)C1 ZINC000736394753 598941758 /nfs/dbraw/zinc/94/17/58/598941758.db2.gz FHMFLBDLTACPDR-VKJFTORMSA-N -1 3 371.485 3.355 20 0 FGADHM CC[C@@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1cc(F)ccc1F ZINC000736355910 598943835 /nfs/dbraw/zinc/94/38/35/598943835.db2.gz KQZWFVOMUHXRHY-PYUISTEWSA-N -1 3 369.375 3.426 20 0 FGADHM CC[C@@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1cc(F)ccc1F ZINC000736355910 598943836 /nfs/dbraw/zinc/94/38/36/598943836.db2.gz KQZWFVOMUHXRHY-PYUISTEWSA-N -1 3 369.375 3.426 20 0 FGADHM c1cc(CNc2cccc(OC[C@H]3CCCO3)c2)cc(-c2nnn[n-]2)c1 ZINC000738418419 598963356 /nfs/dbraw/zinc/96/33/56/598963356.db2.gz HEZSEACKAPQHNQ-GOSISDBHSA-N -1 3 351.410 3.037 20 0 FGADHM c1cc(CNc2cccc(OC[C@H]3CCCO3)c2)cc(-c2nn[n-]n2)c1 ZINC000738418419 598963359 /nfs/dbraw/zinc/96/33/59/598963359.db2.gz HEZSEACKAPQHNQ-GOSISDBHSA-N -1 3 351.410 3.037 20 0 FGADHM Cc1ccccc1C[C@@H]1CCCN1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000737427563 598963639 /nfs/dbraw/zinc/96/36/39/598963639.db2.gz SMWFZAMZFRXRDA-SFHVURJKSA-N -1 3 362.437 3.414 20 0 FGADHM Cc1ccccc1C[C@@H]1CCCN1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000737427563 598963641 /nfs/dbraw/zinc/96/36/41/598963641.db2.gz SMWFZAMZFRXRDA-SFHVURJKSA-N -1 3 362.437 3.414 20 0 FGADHM CC(C)[C@@H](C)NC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735710442 598981342 /nfs/dbraw/zinc/98/13/42/598981342.db2.gz UCJGUTLCLUOVIV-CQSZACIVSA-N -1 3 365.437 3.220 20 0 FGADHM CCCc1noc(-c2cccc(COc3ccc(-c4nn[n-]n4)cc3)c2)n1 ZINC000736500788 599009724 /nfs/dbraw/zinc/00/97/24/599009724.db2.gz UBHMIDQDGAVVBI-UHFFFAOYSA-N -1 3 362.393 3.448 20 0 FGADHM Cc1cc(C)cc(CCNC(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737252578 599012441 /nfs/dbraw/zinc/01/24/41/599012441.db2.gz JNESCPDDONNVEC-OAHLLOKOSA-N -1 3 364.453 3.086 20 0 FGADHM Cc1cc(C)cc(CCNC(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737252578 599012442 /nfs/dbraw/zinc/01/24/42/599012442.db2.gz JNESCPDDONNVEC-OAHLLOKOSA-N -1 3 364.453 3.086 20 0 FGADHM CC[C@H](NC(=S)Nc1cc(-c2nnn[n-]2)ccc1OC)c1cccs1 ZINC000736370186 599014143 /nfs/dbraw/zinc/01/41/43/599014143.db2.gz MSJCVRULNLADIZ-NSHDSACASA-N -1 3 374.495 3.375 20 0 FGADHM CC[C@H](NC(=S)Nc1cc(-c2nn[n-]n2)ccc1OC)c1cccs1 ZINC000736370186 599014146 /nfs/dbraw/zinc/01/41/46/599014146.db2.gz MSJCVRULNLADIZ-NSHDSACASA-N -1 3 374.495 3.375 20 0 FGADHM CC(C)CC[C@H](NC(=O)COc1ccc(-c2nn[n-]n2)cc1)C(C)(C)C ZINC000735796697 599016350 /nfs/dbraw/zinc/01/63/50/599016350.db2.gz GYSKZCYQKXGJPP-INIZCTEOSA-N -1 3 359.474 3.213 20 0 FGADHM C[C@H]1CCC[C@@H](CCNC(=O)CSc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736247706 599016593 /nfs/dbraw/zinc/01/65/93/599016593.db2.gz GUFVIWMQZKQHRE-KBPBESRZSA-N -1 3 359.499 3.291 20 0 FGADHM C[C@H]1CCC[C@@H](CCNC(=O)CSc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736247706 599016596 /nfs/dbraw/zinc/01/65/96/599016596.db2.gz GUFVIWMQZKQHRE-KBPBESRZSA-N -1 3 359.499 3.291 20 0 FGADHM CC(C)(C)Oc1ccccc1NC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000735639865 599017781 /nfs/dbraw/zinc/01/77/81/599017781.db2.gz RGTDWLGKRGMYEV-UHFFFAOYSA-N -1 3 351.410 3.225 20 0 FGADHM CC(C)(C)Oc1ccccc1NC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000735639865 599017783 /nfs/dbraw/zinc/01/77/83/599017783.db2.gz RGTDWLGKRGMYEV-UHFFFAOYSA-N -1 3 351.410 3.225 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H]1CCC[C@H](CC)C1 ZINC000736633793 599020949 /nfs/dbraw/zinc/02/09/49/599020949.db2.gz FHIYIYWRBKTLLK-JSGCOSHPSA-N -1 3 358.446 3.356 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H]1CCC[C@H](CC)C1 ZINC000736633793 599020951 /nfs/dbraw/zinc/02/09/51/599020951.db2.gz FHIYIYWRBKTLLK-JSGCOSHPSA-N -1 3 358.446 3.356 20 0 FGADHM CCN(C(=O)C[C@@H](C)c1cccnc1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736503015 599025263 /nfs/dbraw/zinc/02/52/63/599025263.db2.gz RZZRTORWBMCYOH-CABCVRRESA-N -1 3 364.453 3.365 20 0 FGADHM CCN(C(=O)C[C@@H](C)c1cccnc1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736503015 599025265 /nfs/dbraw/zinc/02/52/65/599025265.db2.gz RZZRTORWBMCYOH-CABCVRRESA-N -1 3 364.453 3.365 20 0 FGADHM CCOc1c(C)cc(COC(=O)c2sccc2-c2nnn[n-]2)cc1C ZINC000736627777 599026493 /nfs/dbraw/zinc/02/64/93/599026493.db2.gz NANSTMHDHWHHGS-UHFFFAOYSA-N -1 3 358.423 3.301 20 0 FGADHM Cc1cccc([C@H](C)CNC(=S)Nc2ccccc2-c2nnn[n-]2)c1 ZINC000737390530 599033244 /nfs/dbraw/zinc/03/32/44/599033244.db2.gz UQQNXEGFCNGMDQ-CYBMUJFWSA-N -1 3 352.467 3.265 20 0 FGADHM Cc1cccc([C@H](C)CNC(=S)Nc2ccccc2-c2nn[n-]n2)c1 ZINC000737390530 599033245 /nfs/dbraw/zinc/03/32/45/599033245.db2.gz UQQNXEGFCNGMDQ-CYBMUJFWSA-N -1 3 352.467 3.265 20 0 FGADHM Cc1ccc2cccc(C(=O)N[C@H](C)c3ccc(-c4nnn[n-]4)cc3)c2n1 ZINC000737377255 599035215 /nfs/dbraw/zinc/03/52/15/599035215.db2.gz MHNHKJASDUQWIB-CYBMUJFWSA-N -1 3 358.405 3.214 20 0 FGADHM Cc1ccc2cccc(C(=O)N[C@H](C)c3ccc(-c4nn[n-]n4)cc3)c2n1 ZINC000737377255 599035218 /nfs/dbraw/zinc/03/52/18/599035218.db2.gz MHNHKJASDUQWIB-CYBMUJFWSA-N -1 3 358.405 3.214 20 0 FGADHM Cc1ccccc1[C@H]1CN(c2cc(-c3nnn[n-]3)c3ccccc3n2)CCO1 ZINC000822351979 599036579 /nfs/dbraw/zinc/03/65/79/599036579.db2.gz SQHNJNNBILLLRM-LJQANCHMSA-N -1 3 372.432 3.301 20 0 FGADHM Cc1ccccc1[C@H]1CN(c2cc(-c3nn[n-]n3)c3ccccc3n2)CCO1 ZINC000822351979 599036581 /nfs/dbraw/zinc/03/65/81/599036581.db2.gz SQHNJNNBILLLRM-LJQANCHMSA-N -1 3 372.432 3.301 20 0 FGADHM CCN(Cc1cccc(-c2ccncc2)c1)c1ncccc1-c1nnn[n-]1 ZINC000821222031 599042410 /nfs/dbraw/zinc/04/24/10/599042410.db2.gz NSERTWYELQVINN-UHFFFAOYSA-N -1 3 357.421 3.350 20 0 FGADHM CCN(Cc1cccc(-c2ccncc2)c1)c1ncccc1-c1nn[n-]n1 ZINC000821222031 599042411 /nfs/dbraw/zinc/04/24/11/599042411.db2.gz NSERTWYELQVINN-UHFFFAOYSA-N -1 3 357.421 3.350 20 0 FGADHM CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@H]1Nc1ccc(-c2nn[n-]n2)cc1 ZINC000819939801 599052319 /nfs/dbraw/zinc/05/23/19/599052319.db2.gz JTIMDBADQZXNOO-ZBFHGGJFSA-N -1 3 372.473 3.362 20 0 FGADHM Cc1cccc([C@H](C)CNC(=O)Nc2cc(-c3nnn[n-]3)ccc2C)c1 ZINC000737388044 599059069 /nfs/dbraw/zinc/05/90/69/599059069.db2.gz KGJSBTJZQOBQCJ-CQSZACIVSA-N -1 3 350.426 3.409 20 0 FGADHM Cc1cccc([C@H](C)CNC(=O)Nc2cc(-c3nn[n-]n3)ccc2C)c1 ZINC000737388044 599059072 /nfs/dbraw/zinc/05/90/72/599059072.db2.gz KGJSBTJZQOBQCJ-CQSZACIVSA-N -1 3 350.426 3.409 20 0 FGADHM C[C@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(=O)N[C@@H](C)c1ccccc1 ZINC000736194225 599067190 /nfs/dbraw/zinc/06/71/90/599067190.db2.gz YDYLEXCVTXELBR-RYUDHWBXSA-N -1 3 371.441 3.364 20 0 FGADHM C[C@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(=O)N[C@@H](C)c1ccccc1 ZINC000736194225 599067193 /nfs/dbraw/zinc/06/71/93/599067193.db2.gz YDYLEXCVTXELBR-RYUDHWBXSA-N -1 3 371.441 3.364 20 0 FGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1c(F)cccc1F ZINC000735874646 599070912 /nfs/dbraw/zinc/07/09/12/599070912.db2.gz SPXNFMZOPBUYLB-UHFFFAOYSA-N -1 3 357.364 3.196 20 0 FGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1c(F)cccc1F ZINC000735874646 599070915 /nfs/dbraw/zinc/07/09/15/599070915.db2.gz SPXNFMZOPBUYLB-UHFFFAOYSA-N -1 3 357.364 3.196 20 0 FGADHM Cc1c(NCC(=O)N(Cc2ccccc2)C(C)C)cccc1-c1nnn[n-]1 ZINC000822115894 607258166 /nfs/dbraw/zinc/25/81/66/607258166.db2.gz IXZMGTNJSVBSAU-UHFFFAOYSA-N -1 3 364.453 3.024 20 0 FGADHM Cc1c(NCC(=O)N(Cc2ccccc2)C(C)C)cccc1-c1nn[n-]n1 ZINC000822115894 607258167 /nfs/dbraw/zinc/25/81/67/607258167.db2.gz IXZMGTNJSVBSAU-UHFFFAOYSA-N -1 3 364.453 3.024 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000738161507 599076692 /nfs/dbraw/zinc/07/66/92/599076692.db2.gz FAEWWDGHSYIFPC-WDEREUQCSA-N -1 3 359.311 3.026 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000738161507 599076695 /nfs/dbraw/zinc/07/66/95/599076695.db2.gz FAEWWDGHSYIFPC-WDEREUQCSA-N -1 3 359.311 3.026 20 0 FGADHM CCc1nc(C)c([C@H](C)N(C)C(=O)c2cccc(-c3nnn[n-]3)c2)s1 ZINC000736701003 599078390 /nfs/dbraw/zinc/07/83/90/599078390.db2.gz XXHWOWGBSCYTAY-NSHDSACASA-N -1 3 356.455 3.027 20 0 FGADHM CCc1nc(C)c([C@H](C)N(C)C(=O)c2cccc(-c3nn[n-]n3)c2)s1 ZINC000736701003 599078392 /nfs/dbraw/zinc/07/83/92/599078392.db2.gz XXHWOWGBSCYTAY-NSHDSACASA-N -1 3 356.455 3.027 20 0 FGADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N[C@@H](C)COCc1ccccc1 ZINC000822334756 599080979 /nfs/dbraw/zinc/08/09/79/599080979.db2.gz GKSBBQVKIKKPQP-HNNXBMFYSA-N -1 3 374.448 3.162 20 0 FGADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N[C@@H](C)COCc1ccccc1 ZINC000822334756 599080982 /nfs/dbraw/zinc/08/09/82/599080982.db2.gz GKSBBQVKIKKPQP-HNNXBMFYSA-N -1 3 374.448 3.162 20 0 FGADHM C[C@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)c1ccc(F)cc1F ZINC000820281334 599097519 /nfs/dbraw/zinc/09/75/19/599097519.db2.gz VQPGEUNGAMXTFP-MRVPVSSYSA-N -1 3 350.760 3.409 20 0 FGADHM C[C@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)c1ccc(F)cc1F ZINC000820281334 599097522 /nfs/dbraw/zinc/09/75/22/599097522.db2.gz VQPGEUNGAMXTFP-MRVPVSSYSA-N -1 3 350.760 3.409 20 0 FGADHM COc1ccc(-c2nnc(CSc3ccccc3-c3nnn[n-]3)o2)cc1 ZINC000737057718 599109817 /nfs/dbraw/zinc/10/98/17/599109817.db2.gz SCWRKMOVJIXYCS-UHFFFAOYSA-N -1 3 366.406 3.218 20 0 FGADHM COc1ccc(-c2nnc(CSc3ccccc3-c3nn[n-]n3)o2)cc1 ZINC000737057718 599109820 /nfs/dbraw/zinc/10/98/20/599109820.db2.gz SCWRKMOVJIXYCS-UHFFFAOYSA-N -1 3 366.406 3.218 20 0 FGADHM O[C@H](C[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000823675183 599109881 /nfs/dbraw/zinc/10/98/81/599109881.db2.gz VKDVCANUBQPEPV-CRAIPNDOSA-N -1 3 353.401 3.098 20 0 FGADHM O=S(=O)(Cc1cccc2ccccc21)c1ccc(-c2nnn[n-]2)cc1F ZINC000823566999 599119539 /nfs/dbraw/zinc/11/95/39/599119539.db2.gz MHDGWCJVDCAULR-UHFFFAOYSA-N -1 3 368.393 3.133 20 0 FGADHM O=S(=O)(Cc1cccc2ccccc21)c1ccc(-c2nn[n-]n2)cc1F ZINC000823566999 599119543 /nfs/dbraw/zinc/11/95/43/599119543.db2.gz MHDGWCJVDCAULR-UHFFFAOYSA-N -1 3 368.393 3.133 20 0 FGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)c1cnn(-c2ccccc2)c1 ZINC000823065907 599126088 /nfs/dbraw/zinc/12/60/88/599126088.db2.gz DUBRHSYNDLKAOA-UHFFFAOYSA-N -1 3 362.418 3.027 20 0 FGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)c1cnn(-c2ccccc2)c1 ZINC000823065907 599126090 /nfs/dbraw/zinc/12/60/90/599126090.db2.gz DUBRHSYNDLKAOA-UHFFFAOYSA-N -1 3 362.418 3.027 20 0 FGADHM C/C(=C/C(=O)NCCSCc1ccccc1-c1nnn[n-]1)C(C)(C)C ZINC000819765317 599134823 /nfs/dbraw/zinc/13/48/23/599134823.db2.gz OHHKFMPYSIBXQS-QBFSEMIESA-N -1 3 359.499 3.209 20 0 FGADHM C/C(=C/C(=O)NCCSCc1ccccc1-c1nn[n-]n1)C(C)(C)C ZINC000819765317 599134826 /nfs/dbraw/zinc/13/48/26/599134826.db2.gz OHHKFMPYSIBXQS-QBFSEMIESA-N -1 3 359.499 3.209 20 0 FGADHM C[C@H](CNC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1)C(C)(C)C ZINC000736017095 599146856 /nfs/dbraw/zinc/14/68/56/599146856.db2.gz ICXRHOWAPBNOMM-CYBMUJFWSA-N -1 3 356.474 3.223 20 0 FGADHM C[C@H](CNC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1)C(C)(C)C ZINC000736017095 599146859 /nfs/dbraw/zinc/14/68/59/599146859.db2.gz ICXRHOWAPBNOMM-CYBMUJFWSA-N -1 3 356.474 3.223 20 0 FGADHM C[C@@H](CCc1cccc(F)c1)C(=O)N(C)c1cccc(-c2nnn[n-]2)c1 ZINC000820254916 599147150 /nfs/dbraw/zinc/14/71/50/599147150.db2.gz ZRZBIYFMYDZRTM-ZDUSSCGKSA-N -1 3 353.401 3.238 20 0 FGADHM C[C@@H](CCc1cccc(F)c1)C(=O)N(C)c1cccc(-c2nn[n-]n2)c1 ZINC000820254916 599147152 /nfs/dbraw/zinc/14/71/52/599147152.db2.gz ZRZBIYFMYDZRTM-ZDUSSCGKSA-N -1 3 353.401 3.238 20 0 FGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NC[C@@H](C)C(C)(C)C ZINC000735874812 599147349 /nfs/dbraw/zinc/14/73/49/599147349.db2.gz MKTMTQUCRKBBLJ-CQSZACIVSA-N -1 3 358.490 3.469 20 0 FGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@@H](C)C(C)(C)C ZINC000735874812 599147351 /nfs/dbraw/zinc/14/73/51/599147351.db2.gz MKTMTQUCRKBBLJ-CQSZACIVSA-N -1 3 358.490 3.469 20 0 FGADHM Fc1ccc(Br)c(OCc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000822762167 607259156 /nfs/dbraw/zinc/25/91/56/607259156.db2.gz YXDOIBZIAPEXPO-UHFFFAOYSA-N -1 3 367.153 3.486 20 0 FGADHM Fc1ccc(Br)c(OCc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000822762167 607259157 /nfs/dbraw/zinc/25/91/57/607259157.db2.gz YXDOIBZIAPEXPO-UHFFFAOYSA-N -1 3 367.153 3.486 20 0 FGADHM CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000820938497 599147998 /nfs/dbraw/zinc/14/79/98/599147998.db2.gz KJNHFAIMUXLBLZ-NUTKFTJISA-N -1 3 357.458 3.488 20 0 FGADHM CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000820938497 599148000 /nfs/dbraw/zinc/14/80/00/599148000.db2.gz KJNHFAIMUXLBLZ-NUTKFTJISA-N -1 3 357.458 3.488 20 0 FGADHM Cc1ccc(Cl)c(OCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)c1 ZINC000737342544 599158534 /nfs/dbraw/zinc/15/85/34/599158534.db2.gz GXXBWQAYAQFTGY-UHFFFAOYSA-N -1 3 368.784 3.458 20 0 FGADHM Cc1ccc(Cl)c(OCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)c1 ZINC000737342544 599158536 /nfs/dbraw/zinc/15/85/36/599158536.db2.gz GXXBWQAYAQFTGY-UHFFFAOYSA-N -1 3 368.784 3.458 20 0 FGADHM Cc1ccc(CNC(=O)[C@@H](C)Sc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000737340614 599169604 /nfs/dbraw/zinc/16/96/04/599169604.db2.gz AJMBMUGRBSOYBT-GFCCVEGCSA-N -1 3 371.441 3.111 20 0 FGADHM Cc1ccc(CNC(=O)[C@@H](C)Sc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000737340614 599169605 /nfs/dbraw/zinc/16/96/05/599169605.db2.gz AJMBMUGRBSOYBT-GFCCVEGCSA-N -1 3 371.441 3.111 20 0 FGADHM CCCc1ncc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCC3)s1 ZINC000736494391 599176988 /nfs/dbraw/zinc/17/69/88/599176988.db2.gz AJUCKYVBOUHPPR-UHFFFAOYSA-N -1 3 360.468 3.078 20 0 FGADHM CCCc1ncc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)s1 ZINC000736494391 599176990 /nfs/dbraw/zinc/17/69/90/599176990.db2.gz AJUCKYVBOUHPPR-UHFFFAOYSA-N -1 3 360.468 3.078 20 0 FGADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)c1cnc2ccsc2c1 ZINC000738162928 599180929 /nfs/dbraw/zinc/18/09/29/599180929.db2.gz IAIQUVPSUGTGQN-UHFFFAOYSA-N -1 3 356.798 3.382 20 0 FGADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)c1cnc2ccsc2c1 ZINC000738162928 599180931 /nfs/dbraw/zinc/18/09/31/599180931.db2.gz IAIQUVPSUGTGQN-UHFFFAOYSA-N -1 3 356.798 3.382 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@H]1c1ccc(C)o1 ZINC000737061960 599188702 /nfs/dbraw/zinc/18/87/02/599188702.db2.gz HHFCNERRZLUSPS-AWEZNQCLSA-N -1 3 368.397 3.146 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@H]1c1ccc(C)o1 ZINC000737061960 599188703 /nfs/dbraw/zinc/18/87/03/599188703.db2.gz HHFCNERRZLUSPS-AWEZNQCLSA-N -1 3 368.397 3.146 20 0 FGADHM CN(C(=O)[C@H]1CCSc2ccccc21)c1ccc(-c2nnn[n-]2)cc1F ZINC000736731080 599186569 /nfs/dbraw/zinc/18/65/69/599186569.db2.gz GLSSKHSVBYGTLD-ZDUSSCGKSA-N -1 3 369.425 3.248 20 0 FGADHM CN(C(=O)[C@H]1CCSc2ccccc21)c1ccc(-c2nn[n-]n2)cc1F ZINC000736731080 599186572 /nfs/dbraw/zinc/18/65/72/599186572.db2.gz GLSSKHSVBYGTLD-ZDUSSCGKSA-N -1 3 369.425 3.248 20 0 FGADHM C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)c2sccc2-c2nnn[n-]2)C1 ZINC000820668761 599190435 /nfs/dbraw/zinc/19/04/35/599190435.db2.gz WADVOGWCYPOSEM-HZMBPMFUSA-N -1 3 357.414 3.291 20 0 FGADHM C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)c2sccc2-c2nn[n-]n2)C1 ZINC000820668761 599190438 /nfs/dbraw/zinc/19/04/38/599190438.db2.gz WADVOGWCYPOSEM-HZMBPMFUSA-N -1 3 357.414 3.291 20 0 FGADHM CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000821034053 599195001 /nfs/dbraw/zinc/19/50/01/599195001.db2.gz ICSWKGMKHUUEMH-CKEIUWERSA-N -1 3 357.458 3.061 20 0 FGADHM CCN(C)C(=O)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000736509730 599194895 /nfs/dbraw/zinc/19/48/95/599194895.db2.gz KEOTZXGNSPHDJU-UHFFFAOYSA-N -1 3 357.801 3.404 20 0 FGADHM C[C@@H]1C[C@H]1NC(=O)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000736234876 599198740 /nfs/dbraw/zinc/19/87/40/599198740.db2.gz CLZSXLSKYRWPQC-QMTHXVAHSA-N -1 3 369.812 3.451 20 0 FGADHM CSC(C)(C)CNc1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21 ZINC000821949267 599357467 /nfs/dbraw/zinc/35/74/67/599357467.db2.gz GCKRISYYIMNUCQ-UHFFFAOYSA-N -1 3 350.398 3.247 20 0 FGADHM CSC(C)(C)CNc1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21 ZINC000821949267 599357469 /nfs/dbraw/zinc/35/74/69/599357469.db2.gz GCKRISYYIMNUCQ-UHFFFAOYSA-N -1 3 350.398 3.247 20 0 FGADHM CC(=O)COC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000735458970 599215575 /nfs/dbraw/zinc/21/55/75/599215575.db2.gz TXVOMUGYTDETDS-UHFFFAOYSA-N -1 3 372.768 3.058 20 0 FGADHM CC(=O)COC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000735458970 599215577 /nfs/dbraw/zinc/21/55/77/599215577.db2.gz TXVOMUGYTDETDS-UHFFFAOYSA-N -1 3 372.768 3.058 20 0 FGADHM CO[C@H](C)CC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000821673827 599218413 /nfs/dbraw/zinc/21/84/13/599218413.db2.gz MHTXMSGEYSAVRE-LLVKDONJSA-N -1 3 371.372 3.162 20 0 FGADHM CO[C@H](C)CC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000821673827 599218415 /nfs/dbraw/zinc/21/84/15/599218415.db2.gz MHTXMSGEYSAVRE-LLVKDONJSA-N -1 3 371.372 3.162 20 0 FGADHM C[C@@H]1C[C@H]1C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000820669145 599220064 /nfs/dbraw/zinc/22/00/64/599220064.db2.gz YXYOYZQGUPOYTR-ZWNOBZJWSA-N -1 3 353.357 3.393 20 0 FGADHM C[C@@H]1C[C@H]1C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000820669145 599220067 /nfs/dbraw/zinc/22/00/67/599220067.db2.gz YXYOYZQGUPOYTR-ZWNOBZJWSA-N -1 3 353.357 3.393 20 0 FGADHM Fc1ccc(-c2nn[n-]n2)cc1CSCCc1ccc2c(c1)CCO2 ZINC000822761234 599226447 /nfs/dbraw/zinc/22/64/47/599226447.db2.gz DFJBSPGYJGDUFC-UHFFFAOYSA-N -1 3 356.426 3.417 20 0 FGADHM CCc1ccc(CCSCC(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821483172 599225772 /nfs/dbraw/zinc/22/57/72/599225772.db2.gz ZPROHWVQHARQOH-UHFFFAOYSA-N -1 3 367.478 3.344 20 0 FGADHM CCc1ccc(CCSCC(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821483172 599225774 /nfs/dbraw/zinc/22/57/74/599225774.db2.gz ZPROHWVQHARQOH-UHFFFAOYSA-N -1 3 367.478 3.344 20 0 FGADHM Fc1ccc(-c2nnn[n-]2)cc1CSCCc1ccc2c(c1)CCO2 ZINC000822761234 599226444 /nfs/dbraw/zinc/22/64/44/599226444.db2.gz DFJBSPGYJGDUFC-UHFFFAOYSA-N -1 3 356.426 3.417 20 0 FGADHM C[C@@H]1CN(C(=S)Nc2ccccc2-c2nnn[n-]2)[C@@H]1c1ccccc1 ZINC000820743726 599230569 /nfs/dbraw/zinc/23/05/69/599230569.db2.gz VBJVZAXSIFTTNW-WBMJQRKESA-N -1 3 350.451 3.257 20 0 FGADHM C[C@@H]1CN(C(=S)Nc2ccccc2-c2nn[n-]n2)[C@@H]1c1ccccc1 ZINC000820743726 599230571 /nfs/dbraw/zinc/23/05/71/599230571.db2.gz VBJVZAXSIFTTNW-WBMJQRKESA-N -1 3 350.451 3.257 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=S)N[C@@H]1CCc2ccccc2C1 ZINC000822220151 599226603 /nfs/dbraw/zinc/22/66/03/599226603.db2.gz GBOLVCCOSZJGMZ-MRXNPFEDSA-N -1 3 364.478 3.019 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=S)N[C@@H]1CCc2ccccc2C1 ZINC000822220151 599226607 /nfs/dbraw/zinc/22/66/07/599226607.db2.gz GBOLVCCOSZJGMZ-MRXNPFEDSA-N -1 3 364.478 3.019 20 0 FGADHM C[C@@H]1C[C@@H]1[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)cn1)c1ccc(Cl)cc1 ZINC000736234776 599227119 /nfs/dbraw/zinc/22/71/19/599227119.db2.gz KJFXHZUHBIKSTN-OOVXXXAESA-N -1 3 368.828 3.042 20 0 FGADHM C[C@@H]1C[C@@H]1[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)cn1)c1ccc(Cl)cc1 ZINC000736234776 599227122 /nfs/dbraw/zinc/22/71/22/599227122.db2.gz KJFXHZUHBIKSTN-OOVXXXAESA-N -1 3 368.828 3.042 20 0 FGADHM Cc1c(NC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)cccc1-c1nnn[n-]1 ZINC000822061290 607266362 /nfs/dbraw/zinc/26/63/62/607266362.db2.gz LTLXUEJDKMHIED-NWDGAFQWSA-N -1 3 355.348 3.196 20 0 FGADHM Cc1c(NC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)cccc1-c1nn[n-]n1 ZINC000822061290 607266363 /nfs/dbraw/zinc/26/63/63/607266363.db2.gz LTLXUEJDKMHIED-NWDGAFQWSA-N -1 3 355.348 3.196 20 0 FGADHM C[C@@H]1CC[C@H](C)CN1C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820686146 599238495 /nfs/dbraw/zinc/23/84/95/599238495.db2.gz XMIHGIRMNDSWSG-VHSXEESVSA-N -1 3 350.879 3.337 20 0 FGADHM C[C@@H]1CC[C@H](C)CN1C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820686146 599238497 /nfs/dbraw/zinc/23/84/97/599238497.db2.gz XMIHGIRMNDSWSG-VHSXEESVSA-N -1 3 350.879 3.337 20 0 FGADHM C[C@H](CNC(=O)Nc1ccc(-c2nnn[n-]2)cc1)Sc1ccccc1 ZINC000820269307 599240074 /nfs/dbraw/zinc/24/00/74/599240074.db2.gz JIUXTQOSNPKWSO-GFCCVEGCSA-N -1 3 354.439 3.169 20 0 FGADHM C[C@H](CNC(=O)Nc1ccc(-c2nn[n-]n2)cc1)Sc1ccccc1 ZINC000820269307 599240077 /nfs/dbraw/zinc/24/00/77/599240077.db2.gz JIUXTQOSNPKWSO-GFCCVEGCSA-N -1 3 354.439 3.169 20 0 FGADHM CO[C@@H](CNC(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)cc1 ZINC000821676617 599240874 /nfs/dbraw/zinc/24/08/74/599240874.db2.gz BZPRJCGPMMDMLD-HNNXBMFYSA-N -1 3 372.816 3.029 20 0 FGADHM CO[C@@H](CNC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)cc1 ZINC000821676617 599240876 /nfs/dbraw/zinc/24/08/76/599240876.db2.gz BZPRJCGPMMDMLD-HNNXBMFYSA-N -1 3 372.816 3.029 20 0 FGADHM CS[C@@H]1CCC[C@H](NC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000737171405 599242505 /nfs/dbraw/zinc/24/25/05/599242505.db2.gz OSICBQIBQRBFAR-GXSJLCMTSA-N -1 3 366.878 3.316 20 0 FGADHM CS[C@@H]1CCC[C@H](NC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000737171405 599242506 /nfs/dbraw/zinc/24/25/06/599242506.db2.gz OSICBQIBQRBFAR-GXSJLCMTSA-N -1 3 366.878 3.316 20 0 FGADHM Cc1c(NC(=O)c2ccc(OCC(C)C)cc2)cccc1-c1nnn[n-]1 ZINC000822107696 607269179 /nfs/dbraw/zinc/26/91/79/607269179.db2.gz BKOCGLZJYHYDIR-UHFFFAOYSA-N -1 3 351.410 3.462 20 0 FGADHM Cc1c(NC(=O)c2ccc(OCC(C)C)cc2)cccc1-c1nn[n-]n1 ZINC000822107696 607269180 /nfs/dbraw/zinc/26/91/80/607269180.db2.gz BKOCGLZJYHYDIR-UHFFFAOYSA-N -1 3 351.410 3.462 20 0 FGADHM COc1ccccc1[C@H](C)CC(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821883392 607269266 /nfs/dbraw/zinc/26/92/66/607269266.db2.gz VFLUIQVMRDAOSR-GFCCVEGCSA-N -1 3 351.410 3.316 20 0 FGADHM COc1ccccc1[C@H](C)CC(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821883392 607269267 /nfs/dbraw/zinc/26/92/67/607269267.db2.gz VFLUIQVMRDAOSR-GFCCVEGCSA-N -1 3 351.410 3.316 20 0 FGADHM COc1ccc([C@@H](C)CCNC(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821777178 599243978 /nfs/dbraw/zinc/24/39/78/599243978.db2.gz BSHGLDHZWVLIAK-ZDUSSCGKSA-N -1 3 366.425 3.191 20 0 FGADHM COc1ccc([C@@H](C)CCNC(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821777178 599243980 /nfs/dbraw/zinc/24/39/80/599243980.db2.gz BSHGLDHZWVLIAK-ZDUSSCGKSA-N -1 3 366.425 3.191 20 0 FGADHM O=C(NC1CC(c2cccc(Cl)c2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000738020633 599244446 /nfs/dbraw/zinc/24/44/46/599244446.db2.gz NUMCFMXBHZYLGN-UHFFFAOYSA-N -1 3 353.813 3.196 20 0 FGADHM O=C(NC1CC(c2cccc(Cl)c2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000738020633 599244448 /nfs/dbraw/zinc/24/44/48/599244448.db2.gz NUMCFMXBHZYLGN-UHFFFAOYSA-N -1 3 353.813 3.196 20 0 FGADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)Nc1ccc(F)cc1Cl ZINC000823238813 599244851 /nfs/dbraw/zinc/24/48/51/599244851.db2.gz QWADNBTXBGSCNB-UHFFFAOYSA-N -1 3 364.743 3.120 20 0 FGADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)Nc1ccc(F)cc1Cl ZINC000823238813 599244853 /nfs/dbraw/zinc/24/48/53/599244853.db2.gz QWADNBTXBGSCNB-UHFFFAOYSA-N -1 3 364.743 3.120 20 0 FGADHM C[C@@H](NC(=O)C=Cc1ccnc2ccccc12)c1ccc(-c2nnn[n-]2)cc1 ZINC000736099800 599246111 /nfs/dbraw/zinc/24/61/11/599246111.db2.gz IAQDQQDXIWJWTJ-PLSXKVAHSA-N -1 3 370.416 3.306 20 0 FGADHM C[C@@H](NC(=O)C=Cc1ccnc2ccccc12)c1ccc(-c2nn[n-]n2)cc1 ZINC000736099800 599246112 /nfs/dbraw/zinc/24/61/12/599246112.db2.gz IAQDQQDXIWJWTJ-PLSXKVAHSA-N -1 3 370.416 3.306 20 0 FGADHM CN(C(=O)C=Cc1ccnc2ccccc12)c1cccc(-c2nnn[n-]2)c1 ZINC000736733590 599248667 /nfs/dbraw/zinc/24/86/67/599248667.db2.gz VZLFBBKMGYAKRI-KTKRTIGZSA-N -1 3 356.389 3.091 20 0 FGADHM CN(C(=O)C=Cc1ccnc2ccccc12)c1cccc(-c2nn[n-]n2)c1 ZINC000736733590 599248668 /nfs/dbraw/zinc/24/86/68/599248668.db2.gz VZLFBBKMGYAKRI-KTKRTIGZSA-N -1 3 356.389 3.091 20 0 FGADHM Cc1c(NC(=O)N[C@@H](Cc2ccccc2)C2CC2)cccc1-c1nnn[n-]1 ZINC000822090001 607282526 /nfs/dbraw/zinc/28/25/26/607282526.db2.gz IEIXVLUVSLJJJQ-SFHVURJKSA-N -1 3 362.437 3.318 20 0 FGADHM Cc1c(NC(=O)N[C@@H](Cc2ccccc2)C2CC2)cccc1-c1nn[n-]n1 ZINC000822090001 607282527 /nfs/dbraw/zinc/28/25/27/607282527.db2.gz IEIXVLUVSLJJJQ-SFHVURJKSA-N -1 3 362.437 3.318 20 0 FGADHM Cc1c(NC(=O)N2CCC(c3nccs3)CC2)cccc1-c1nnn[n-]1 ZINC000822084834 607288333 /nfs/dbraw/zinc/28/83/33/607288333.db2.gz PXEKCDZKMVBWNT-UHFFFAOYSA-N -1 3 369.454 3.043 20 0 FGADHM Cc1c(NC(=O)N2CCC(c3nccs3)CC2)cccc1-c1nn[n-]n1 ZINC000822084834 607288334 /nfs/dbraw/zinc/28/83/34/607288334.db2.gz PXEKCDZKMVBWNT-UHFFFAOYSA-N -1 3 369.454 3.043 20 0 FGADHM Cc1c(NC(=O)NCCc2ccc(F)cc2Cl)cccc1-c1nnn[n-]1 ZINC000822095891 607283303 /nfs/dbraw/zinc/28/33/03/607283303.db2.gz HKDKTUPROKLSKT-UHFFFAOYSA-N -1 3 374.807 3.332 20 0 FGADHM Cc1c(NC(=O)NCCc2ccc(F)cc2Cl)cccc1-c1nn[n-]n1 ZINC000822095891 607283304 /nfs/dbraw/zinc/28/33/04/607283304.db2.gz HKDKTUPROKLSKT-UHFFFAOYSA-N -1 3 374.807 3.332 20 0 FGADHM O=C([O-])Cc1ccccc1NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000312136341 597337550 /nfs/dbraw/zinc/33/75/50/597337550.db2.gz RZYLOKYQUQQIAP-GOSISDBHSA-N -1 3 367.449 3.100 20 0 FGADHM CC[C@](C)(NC(=O)Nc1cccc(-c2nnn[n-]2)c1C)c1nc(C)cs1 ZINC000820853010 607285137 /nfs/dbraw/zinc/28/51/37/607285137.db2.gz JHBAXZXKVUJUQQ-KRWDZBQOSA-N -1 3 371.470 3.387 20 0 FGADHM CC[C@](C)(NC(=O)Nc1cccc(-c2nn[n-]n2)c1C)c1nc(C)cs1 ZINC000820853010 607285138 /nfs/dbraw/zinc/28/51/38/607285138.db2.gz JHBAXZXKVUJUQQ-KRWDZBQOSA-N -1 3 371.470 3.387 20 0 FGADHM Clc1ccc2ncc(-c3nnn[n-]3)c(NC[C@@H]3CC3(Cl)Cl)c2c1 ZINC000737573022 599257636 /nfs/dbraw/zinc/25/76/36/599257636.db2.gz IHQGSKAKTLFGHW-ZETCQYMHSA-N -1 3 369.643 3.096 20 0 FGADHM Clc1ccc2ncc(-c3nn[n-]n3)c(NC[C@@H]3CC3(Cl)Cl)c2c1 ZINC000737573022 599257639 /nfs/dbraw/zinc/25/76/39/599257639.db2.gz IHQGSKAKTLFGHW-ZETCQYMHSA-N -1 3 369.643 3.096 20 0 FGADHM Cc1c(NC(=O)N2CC[C@H](c3ccccc3F)C2)cccc1-c1nnn[n-]1 ZINC000822083536 607290756 /nfs/dbraw/zinc/29/07/56/607290756.db2.gz BXRBOTUMQLVHPZ-ZDUSSCGKSA-N -1 3 366.400 3.336 20 0 FGADHM Cc1c(NC(=O)N2CC[C@H](c3ccccc3F)C2)cccc1-c1nn[n-]n1 ZINC000822083536 607290757 /nfs/dbraw/zinc/29/07/57/607290757.db2.gz BXRBOTUMQLVHPZ-ZDUSSCGKSA-N -1 3 366.400 3.336 20 0 FGADHM CSc1ccc(F)cc1CNC(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821983104 607291628 /nfs/dbraw/zinc/29/16/28/607291628.db2.gz DNIHRWLDDYYVSG-UHFFFAOYSA-N -1 3 372.429 3.358 20 0 FGADHM CSc1ccc(F)cc1CNC(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821983104 607291629 /nfs/dbraw/zinc/29/16/29/607291629.db2.gz DNIHRWLDDYYVSG-UHFFFAOYSA-N -1 3 372.429 3.358 20 0 FGADHM CCc1ccc([C@@H]2CCCN2C(=O)C=Cc2ccccc2-c2nnn[n-]2)o1 ZINC000736689502 599259899 /nfs/dbraw/zinc/25/98/99/599259899.db2.gz YGBTVMCYRBFKPP-KQPPXVQYSA-N -1 3 363.421 3.399 20 0 FGADHM CCc1ccc([C@@H]2CCCN2C(=O)C=Cc2ccccc2-c2nn[n-]n2)o1 ZINC000736689502 599259900 /nfs/dbraw/zinc/25/99/00/599259900.db2.gz YGBTVMCYRBFKPP-KQPPXVQYSA-N -1 3 363.421 3.399 20 0 FGADHM COc1ccc2oc(C)c(C(=O)Nc3cccc(-c4nnn[n-]4)c3C)c2c1 ZINC000821854571 607296346 /nfs/dbraw/zinc/29/63/46/607296346.db2.gz NKGGYXDLSDQTRU-UHFFFAOYSA-N -1 3 363.377 3.491 20 0 FGADHM COc1ccc2oc(C)c(C(=O)Nc3cccc(-c4nn[n-]n4)c3C)c2c1 ZINC000821854571 607296347 /nfs/dbraw/zinc/29/63/47/607296347.db2.gz NKGGYXDLSDQTRU-UHFFFAOYSA-N -1 3 363.377 3.491 20 0 FGADHM COc1ccccc1C(C)(C)C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821882876 607297132 /nfs/dbraw/zinc/29/71/32/607297132.db2.gz MXGXVBNGAMBGFI-UHFFFAOYSA-N -1 3 351.410 3.100 20 0 FGADHM COc1ccccc1C(C)(C)C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821882876 607297133 /nfs/dbraw/zinc/29/71/33/607297133.db2.gz MXGXVBNGAMBGFI-UHFFFAOYSA-N -1 3 351.410 3.100 20 0 FGADHM CC(C)C(NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1)C(C)C ZINC000820025651 607300149 /nfs/dbraw/zinc/30/01/49/607300149.db2.gz AOHXUBSGDQFXHK-UHFFFAOYSA-N -1 3 356.474 3.221 20 0 FGADHM CC(C)C(NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1)C(C)C ZINC000820025651 607300150 /nfs/dbraw/zinc/30/01/50/607300150.db2.gz AOHXUBSGDQFXHK-UHFFFAOYSA-N -1 3 356.474 3.221 20 0 FGADHM O=C(c1ncc(-c2nnn[n-]2)cc1Cl)N1CCC2(CCCCC2)CC1 ZINC000823498673 607300202 /nfs/dbraw/zinc/30/02/02/607300202.db2.gz YERASEUQMAXUJP-UHFFFAOYSA-N -1 3 360.849 3.102 20 0 FGADHM O=C(c1ncc(-c2nn[n-]n2)cc1Cl)N1CCC2(CCCCC2)CC1 ZINC000823498673 607300203 /nfs/dbraw/zinc/30/02/03/607300203.db2.gz YERASEUQMAXUJP-UHFFFAOYSA-N -1 3 360.849 3.102 20 0 FGADHM CCOc1ccc([C@H](C)Nc2c(-c3nnn[n-]3)cnc3ccccc32)cc1 ZINC000736635963 599261450 /nfs/dbraw/zinc/26/14/50/599261450.db2.gz FXSJNHJCDQLWTL-ZDUSSCGKSA-N -1 3 360.421 3.409 20 0 FGADHM CCOc1ccc([C@H](C)Nc2c(-c3nn[n-]n3)cnc3ccccc32)cc1 ZINC000736635963 599261452 /nfs/dbraw/zinc/26/14/52/599261452.db2.gz FXSJNHJCDQLWTL-ZDUSSCGKSA-N -1 3 360.421 3.409 20 0 FGADHM Cc1ccc(NCc2cc(-c3nnn[n-]3)cs2)cc1OCC(F)F ZINC000822254547 607316281 /nfs/dbraw/zinc/31/62/81/607316281.db2.gz MRIGQGLXGFPOEA-UHFFFAOYSA-N -1 3 351.382 3.493 20 0 FGADHM Cc1ccc(NCc2cc(-c3nn[n-]n3)cs2)cc1OCC(F)F ZINC000822254547 607316282 /nfs/dbraw/zinc/31/62/82/607316282.db2.gz MRIGQGLXGFPOEA-UHFFFAOYSA-N -1 3 351.382 3.493 20 0 FGADHM Cc1ccc(NCc2cnc3ccc(-c4nnn[n-]4)cn23)cc1C(F)(F)F ZINC000822259115 607310960 /nfs/dbraw/zinc/31/09/60/607310960.db2.gz MYMXLRIINSOVLR-UHFFFAOYSA-N -1 3 373.342 3.454 20 0 FGADHM Cc1ccc(NCc2cnc3ccc(-c4nn[n-]n4)cn23)cc1C(F)(F)F ZINC000822259115 607310961 /nfs/dbraw/zinc/31/09/61/607310961.db2.gz MYMXLRIINSOVLR-UHFFFAOYSA-N -1 3 373.342 3.454 20 0 FGADHM COc1ccc(CNc2ccc(N(C)C)c(Cl)c2)cc1-c1nnn[n-]1 ZINC000821821511 607313324 /nfs/dbraw/zinc/31/33/24/607313324.db2.gz ISBITCLTDHBVDM-UHFFFAOYSA-N -1 3 358.833 3.207 20 0 FGADHM COc1ccc(CNc2ccc(N(C)C)c(Cl)c2)cc1-c1nn[n-]n1 ZINC000821821511 607313325 /nfs/dbraw/zinc/31/33/25/607313325.db2.gz ISBITCLTDHBVDM-UHFFFAOYSA-N -1 3 358.833 3.207 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)C[C@@H](C)n1cccc1 ZINC000736487386 599276643 /nfs/dbraw/zinc/27/66/43/599276643.db2.gz FXQMAJWGZCRODK-CYBMUJFWSA-N -1 3 353.430 3.080 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(C)c(OC)c1 ZINC000736487970 599277304 /nfs/dbraw/zinc/27/73/04/599277304.db2.gz MBKVGLCWVQFMDG-UHFFFAOYSA-N -1 3 366.425 3.258 20 0 FGADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)Nc1cc(F)ccc1Cl ZINC000823238505 599277678 /nfs/dbraw/zinc/27/76/78/599277678.db2.gz OHFJKDKRJACJIX-UHFFFAOYSA-N -1 3 364.743 3.120 20 0 FGADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)Nc1cc(F)ccc1Cl ZINC000823238505 599277680 /nfs/dbraw/zinc/27/76/80/599277680.db2.gz OHFJKDKRJACJIX-UHFFFAOYSA-N -1 3 364.743 3.120 20 0 FGADHM COc1ccc(CNc2cccc(-c3nc(C)co3)c2)cc1-c1nnn[n-]1 ZINC000821821486 607318362 /nfs/dbraw/zinc/31/83/62/607318362.db2.gz HYFIHCXAOSLAJV-UHFFFAOYSA-N -1 3 362.393 3.451 20 0 FGADHM COc1ccc(CNc2cccc(-c3nc(C)co3)c2)cc1-c1nn[n-]n1 ZINC000821821486 607318363 /nfs/dbraw/zinc/31/83/63/607318363.db2.gz HYFIHCXAOSLAJV-UHFFFAOYSA-N -1 3 362.393 3.451 20 0 FGADHM CCc1noc(-c2ccc(C)c(NCc3ccc(-c4nnn[n-]4)cc3)c2)n1 ZINC000821552912 607318368 /nfs/dbraw/zinc/31/83/68/607318368.db2.gz AXDFPPSZBWLUDQ-UHFFFAOYSA-N -1 3 361.409 3.400 20 0 FGADHM CCc1noc(-c2ccc(C)c(NCc3ccc(-c4nn[n-]n4)cc3)c2)n1 ZINC000821552912 607318369 /nfs/dbraw/zinc/31/83/69/607318369.db2.gz AXDFPPSZBWLUDQ-UHFFFAOYSA-N -1 3 361.409 3.400 20 0 FGADHM Cc1ccc(NC(=O)COc2c(C)cc(-c3nn[n-]n3)cc2C)c(Cl)c1 ZINC000737357403 599283631 /nfs/dbraw/zinc/28/36/31/599283631.db2.gz PSAMORSGZUNFAF-UHFFFAOYSA-N -1 3 371.828 3.463 20 0 FGADHM CCOCCCOC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736615749 599285615 /nfs/dbraw/zinc/28/56/15/599285615.db2.gz MXUSNMLSSZAPAQ-UHFFFAOYSA-N -1 3 368.393 3.242 20 0 FGADHM CCOCCCOC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736615749 599285617 /nfs/dbraw/zinc/28/56/17/599285617.db2.gz MXUSNMLSSZAPAQ-UHFFFAOYSA-N -1 3 368.393 3.242 20 0 FGADHM C[C@@H]1CCCN(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C1 ZINC000820708999 599286518 /nfs/dbraw/zinc/28/65/18/599286518.db2.gz BOKBRMAJVVPBHK-SECBINFHSA-N -1 3 354.336 3.149 20 0 FGADHM C[C@@H]1CCCN(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C1 ZINC000820708999 599286521 /nfs/dbraw/zinc/28/65/21/599286521.db2.gz BOKBRMAJVVPBHK-SECBINFHSA-N -1 3 354.336 3.149 20 0 FGADHM Cc1c(NC(=O)c2cc(F)c(Cl)nc2Cl)cccc1-c1nnn[n-]1 ZINC000822110141 607321462 /nfs/dbraw/zinc/32/14/62/607321462.db2.gz XFCGBJOQOJUCQB-UHFFFAOYSA-N -1 3 367.171 3.268 20 0 FGADHM Cc1c(NC(=O)c2cc(F)c(Cl)nc2Cl)cccc1-c1nn[n-]n1 ZINC000822110141 607321463 /nfs/dbraw/zinc/32/14/63/607321463.db2.gz XFCGBJOQOJUCQB-UHFFFAOYSA-N -1 3 367.171 3.268 20 0 FGADHM CC[C@H](C)[C@@H](C)NC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820863958 599290847 /nfs/dbraw/zinc/29/08/47/599290847.db2.gz WNWJNQFEWASGRV-DTWKUNHWSA-N -1 3 356.352 3.442 20 0 FGADHM CC[C@H](C)[C@@H](C)NC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820863958 599290849 /nfs/dbraw/zinc/29/08/49/599290849.db2.gz WNWJNQFEWASGRV-DTWKUNHWSA-N -1 3 356.352 3.442 20 0 FGADHM C[C@H]1CCC[C@@H]1NC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820698637 599291182 /nfs/dbraw/zinc/29/11/82/599291182.db2.gz VIGRAJZZHGBIMO-UFBFGSQYSA-N -1 3 354.336 3.196 20 0 FGADHM C[C@H]1CCC[C@@H]1NC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820698637 599291184 /nfs/dbraw/zinc/29/11/84/599291184.db2.gz VIGRAJZZHGBIMO-UFBFGSQYSA-N -1 3 354.336 3.196 20 0 FGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N1Cc2ccccc2C(F)(F)C1 ZINC000823360290 607326124 /nfs/dbraw/zinc/32/61/24/607326124.db2.gz YTVJFQARTINXRL-UHFFFAOYSA-N -1 3 356.336 3.006 20 0 FGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N1Cc2ccccc2C(F)(F)C1 ZINC000823360290 607326125 /nfs/dbraw/zinc/32/61/25/607326125.db2.gz YTVJFQARTINXRL-UHFFFAOYSA-N -1 3 356.336 3.006 20 0 FGADHM CCN(C(=O)Cn1cc(C)c(-c2nnn[n-]2)c1)c1cccc2ccccc21 ZINC000821154827 607329879 /nfs/dbraw/zinc/32/98/79/607329879.db2.gz SKEBVOBUJAACKM-UHFFFAOYSA-N -1 3 360.421 3.183 20 0 FGADHM CCN(C(=O)Cn1cc(C)c(-c2nn[n-]n2)c1)c1cccc2ccccc21 ZINC000821154827 607329880 /nfs/dbraw/zinc/32/98/80/607329880.db2.gz SKEBVOBUJAACKM-UHFFFAOYSA-N -1 3 360.421 3.183 20 0 FGADHM O=C(c1sccc1-c1nnn[n-]1)N1CCC(Cc2ccc(F)cc2)CC1 ZINC000738290980 598232114 /nfs/dbraw/zinc/23/21/14/598232114.db2.gz BDKPPGKQZVXUBD-UHFFFAOYSA-N -1 3 371.441 3.162 20 0 FGADHM O=C(c1sccc1-c1nn[n-]n1)N1CCC(Cc2ccc(F)cc2)CC1 ZINC000738290980 598232115 /nfs/dbraw/zinc/23/21/15/598232115.db2.gz BDKPPGKQZVXUBD-UHFFFAOYSA-N -1 3 371.441 3.162 20 0 FGADHM O=C(c1ccc(-c2nnn[n-]2)cc1)N1CCC(c2ccc(F)c(F)c2)CC1 ZINC000738254224 598235700 /nfs/dbraw/zinc/23/57/00/598235700.db2.gz JLYYFCWVJQNGKR-UHFFFAOYSA-N -1 3 369.375 3.165 20 0 FGADHM O=C(c1ccc(-c2nn[n-]n2)cc1)N1CCC(c2ccc(F)c(F)c2)CC1 ZINC000738254224 598235702 /nfs/dbraw/zinc/23/57/02/598235702.db2.gz JLYYFCWVJQNGKR-UHFFFAOYSA-N -1 3 369.375 3.165 20 0 FGADHM CC(C)(CNc1ccc(-c2nn[n-]n2)cc1F)c1ccc2c(c1)OCCO2 ZINC000735670587 598242183 /nfs/dbraw/zinc/24/21/83/598242183.db2.gz DHJGWPODGVRXCG-UHFFFAOYSA-N -1 3 369.400 3.167 20 0 FGADHM COc1ccccc1C[C@H]1CCCN1c1cccc(F)c1-c1nnn[n-]1 ZINC000737151834 598243065 /nfs/dbraw/zinc/24/30/65/598243065.db2.gz FZKUUVPXANZWBK-CQSZACIVSA-N -1 3 353.401 3.226 20 0 FGADHM COc1ccccc1C[C@H]1CCCN1c1cccc(F)c1-c1nn[n-]n1 ZINC000737151834 598243067 /nfs/dbraw/zinc/24/30/67/598243067.db2.gz FZKUUVPXANZWBK-CQSZACIVSA-N -1 3 353.401 3.226 20 0 FGADHM C[C@@H]1CCC[C@H]1Nc1c(-c2nnn[n-]2)cnc2ccc(OC(F)F)cc21 ZINC000736263366 598244500 /nfs/dbraw/zinc/24/45/00/598244500.db2.gz PSFUIAOCEZYADZ-NOZJJQNGSA-N -1 3 360.368 3.039 20 0 FGADHM C[C@@H]1CCC[C@H]1Nc1c(-c2nn[n-]n2)cnc2ccc(OC(F)F)cc21 ZINC000736263366 598244501 /nfs/dbraw/zinc/24/45/01/598244501.db2.gz PSFUIAOCEZYADZ-NOZJJQNGSA-N -1 3 360.368 3.039 20 0 FGADHM COc1ccc(CCNc2ccc(-c3nn[n-]n3)cc2)cc1OC(F)F ZINC000737090514 598246876 /nfs/dbraw/zinc/24/68/76/598246876.db2.gz QVGRZQOEJHLLGL-UHFFFAOYSA-N -1 3 361.352 3.131 20 0 FGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N1CC[C@@H](c2cccc(F)c2)C1 ZINC000738177768 598256301 /nfs/dbraw/zinc/25/63/01/598256301.db2.gz DTPACJNDCBZWIL-CQSZACIVSA-N -1 3 352.373 3.027 20 0 FGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N1CC[C@@H](c2cccc(F)c2)C1 ZINC000738177768 598256302 /nfs/dbraw/zinc/25/63/02/598256302.db2.gz DTPACJNDCBZWIL-CQSZACIVSA-N -1 3 352.373 3.027 20 0 FGADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H]1CCC[C@H]1C ZINC000735830487 598256781 /nfs/dbraw/zinc/25/67/81/598256781.db2.gz GYMLRWWZGSGIKQ-PBHICJAKSA-N -1 3 356.474 3.223 20 0 FGADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H]1CCC[C@H]1C ZINC000735830487 598256783 /nfs/dbraw/zinc/25/67/83/598256783.db2.gz GYMLRWWZGSGIKQ-PBHICJAKSA-N -1 3 356.474 3.223 20 0 FGADHM C[C@H](CNC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C)c1ccccc1 ZINC000736017460 598276286 /nfs/dbraw/zinc/27/62/86/598276286.db2.gz NTBSXYHMWNYLPL-CYBMUJFWSA-N -1 3 367.457 3.348 20 0 FGADHM C[C@H](CNC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C)c1ccccc1 ZINC000736017460 598276287 /nfs/dbraw/zinc/27/62/87/598276287.db2.gz NTBSXYHMWNYLPL-CYBMUJFWSA-N -1 3 367.457 3.348 20 0 FGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N[C@@H]1CCCc2occc21 ZINC000735661047 598278942 /nfs/dbraw/zinc/27/89/42/598278942.db2.gz QKEBKAUCVHGUAV-CYBMUJFWSA-N -1 3 369.429 3.215 20 0 FGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N[C@@H]1CCCc2occc21 ZINC000735661047 598278943 /nfs/dbraw/zinc/27/89/43/598278943.db2.gz QKEBKAUCVHGUAV-CYBMUJFWSA-N -1 3 369.429 3.215 20 0 FGADHM Cc1ccsc1CNC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000737443442 598279006 /nfs/dbraw/zinc/27/90/06/598279006.db2.gz VWHPMOAMNLKRIA-UHFFFAOYSA-N -1 3 359.459 3.115 20 0 FGADHM Cc1ccsc1CNC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000737443442 598279008 /nfs/dbraw/zinc/27/90/08/598279008.db2.gz VWHPMOAMNLKRIA-UHFFFAOYSA-N -1 3 359.459 3.115 20 0 FGADHM CC(C)Cc1ccc(COC(=O)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735850581 598289322 /nfs/dbraw/zinc/28/93/22/598289322.db2.gz SRMMPNBUIOAXFI-UHFFFAOYSA-N -1 3 350.422 3.351 20 0 FGADHM CC(C)Cc1ccc(COC(=O)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735850581 598289323 /nfs/dbraw/zinc/28/93/23/598289323.db2.gz SRMMPNBUIOAXFI-UHFFFAOYSA-N -1 3 350.422 3.351 20 0 FGADHM CC(C)Cc1ccc(CS(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735849968 598290690 /nfs/dbraw/zinc/29/06/90/598290690.db2.gz MOZZQFJTFSUKRK-UHFFFAOYSA-N -1 3 370.478 3.180 20 0 FGADHM CC(C)Cc1ccc(CS(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735849968 598290691 /nfs/dbraw/zinc/29/06/91/598290691.db2.gz MOZZQFJTFSUKRK-UHFFFAOYSA-N -1 3 370.478 3.180 20 0 FGADHM Cc1nc(-c2ccco2)ccc1C(=O)Nc1sccc1-c1nnn[n-]1 ZINC000737464543 598295926 /nfs/dbraw/zinc/29/59/26/598295926.db2.gz NREAJTZLIVYKAA-UHFFFAOYSA-N -1 3 352.379 3.144 20 0 FGADHM Cc1nc(-c2ccco2)ccc1C(=O)Nc1sccc1-c1nn[n-]n1 ZINC000737464543 598295928 /nfs/dbraw/zinc/29/59/28/598295928.db2.gz NREAJTZLIVYKAA-UHFFFAOYSA-N -1 3 352.379 3.144 20 0 FGADHM Cc1ccc2c(CC(=O)Nc3ccc(-c4nnn[n-]4)c(Cl)c3)c[nH]c2c1 ZINC000737372448 598296196 /nfs/dbraw/zinc/29/61/96/598296196.db2.gz XZJXSQQVOOKLQS-UHFFFAOYSA-N -1 3 366.812 3.491 20 0 FGADHM Cc1ccc2c(CC(=O)Nc3ccc(-c4nn[n-]n4)c(Cl)c3)c[nH]c2c1 ZINC000737372448 598296198 /nfs/dbraw/zinc/29/61/98/598296198.db2.gz XZJXSQQVOOKLQS-UHFFFAOYSA-N -1 3 366.812 3.491 20 0 FGADHM CCCCc1ccc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000736466518 598303179 /nfs/dbraw/zinc/30/31/79/598303179.db2.gz LZBHVIZDDWZWDN-UHFFFAOYSA-N -1 3 353.401 3.278 20 0 FGADHM CCCCc1ccc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000736466518 598303180 /nfs/dbraw/zinc/30/31/80/598303180.db2.gz LZBHVIZDDWZWDN-UHFFFAOYSA-N -1 3 353.401 3.278 20 0 FGADHM CC[C@@H](C)[C@H](C(=O)NCc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000736320500 598304540 /nfs/dbraw/zinc/30/45/40/598304540.db2.gz UXVCBLYMZNXOIR-ACJLOTCBSA-N -1 3 367.428 3.452 20 0 FGADHM CC[C@@H](C)[C@H](C(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000736320500 598304541 /nfs/dbraw/zinc/30/45/41/598304541.db2.gz UXVCBLYMZNXOIR-ACJLOTCBSA-N -1 3 367.428 3.452 20 0 FGADHM CN(C(=O)c1ccccc1C(F)(F)F)c1ccc(-c2nnn[n-]2)cc1F ZINC000736741429 598311036 /nfs/dbraw/zinc/31/10/36/598311036.db2.gz OZEWQPWHHRCUBO-UHFFFAOYSA-N -1 3 365.290 3.301 20 0 FGADHM CN(C(=O)c1ccccc1C(F)(F)F)c1ccc(-c2nn[n-]n2)cc1F ZINC000736741429 598311038 /nfs/dbraw/zinc/31/10/38/598311038.db2.gz OZEWQPWHHRCUBO-UHFFFAOYSA-N -1 3 365.290 3.301 20 0 FGADHM CC(=O)Nc1cccc(CSCc2cc(-c3nnn[n-]3)ccc2F)c1 ZINC000735489054 598313324 /nfs/dbraw/zinc/31/33/24/598313324.db2.gz SYJZQULMKMFQBP-UHFFFAOYSA-N -1 3 357.414 3.398 20 0 FGADHM CC(=O)Nc1cccc(CSCc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC000735489054 598313325 /nfs/dbraw/zinc/31/33/25/598313325.db2.gz SYJZQULMKMFQBP-UHFFFAOYSA-N -1 3 357.414 3.398 20 0 FGADHM COc1ccc(CNC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000737093027 598316937 /nfs/dbraw/zinc/31/69/37/598316937.db2.gz STOWAERZUOOVMZ-UHFFFAOYSA-N -1 3 374.857 3.015 20 0 FGADHM COc1ccc(CNC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000737093027 598316940 /nfs/dbraw/zinc/31/69/40/598316940.db2.gz STOWAERZUOOVMZ-UHFFFAOYSA-N -1 3 374.857 3.015 20 0 FGADHM Cc1ccc(NC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)c(Cl)c1 ZINC000737361735 598322060 /nfs/dbraw/zinc/32/20/60/598322060.db2.gz YQRYLDPXXCEQRQ-UHFFFAOYSA-N -1 3 360.780 3.289 20 0 FGADHM Cc1ccc(NC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)c(Cl)c1 ZINC000737361735 598322061 /nfs/dbraw/zinc/32/20/61/598322061.db2.gz YQRYLDPXXCEQRQ-UHFFFAOYSA-N -1 3 360.780 3.289 20 0 FGADHM CCOc1cc(C)ccc1NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000736624535 598323249 /nfs/dbraw/zinc/32/32/49/598323249.db2.gz BNPDUJXYNKUQRC-UHFFFAOYSA-N -1 3 370.388 3.035 20 0 FGADHM CCOc1cc(C)ccc1NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000736624535 598323250 /nfs/dbraw/zinc/32/32/50/598323250.db2.gz BNPDUJXYNKUQRC-UHFFFAOYSA-N -1 3 370.388 3.035 20 0 FGADHM S=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N[C@H]1C[C@@H]1c1ccccc1 ZINC000738410225 598323425 /nfs/dbraw/zinc/32/34/25/598323425.db2.gz XCDZVZYEJWJZMB-HIFRSBDPSA-N -1 3 370.869 3.363 20 0 FGADHM S=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N[C@H]1C[C@@H]1c1ccccc1 ZINC000738410225 598323427 /nfs/dbraw/zinc/32/34/27/598323427.db2.gz XCDZVZYEJWJZMB-HIFRSBDPSA-N -1 3 370.869 3.363 20 0 FGADHM C[C@H](c1cccnc1)N(C)C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736199867 598323700 /nfs/dbraw/zinc/32/37/00/598323700.db2.gz BJZZADZBMMZNKE-SNVBAGLBSA-N -1 3 373.873 3.305 20 0 FGADHM C[C@H](c1cccnc1)N(C)C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736199867 598323702 /nfs/dbraw/zinc/32/37/02/598323702.db2.gz BJZZADZBMMZNKE-SNVBAGLBSA-N -1 3 373.873 3.305 20 0 FGADHM CCCC1CCC(NC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000736438119 598325935 /nfs/dbraw/zinc/32/59/35/598325935.db2.gz XXQNXUJLFHSCTP-UHFFFAOYSA-N -1 3 360.437 3.164 20 0 FGADHM CCCC1CCC(NC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000736438119 598325936 /nfs/dbraw/zinc/32/59/36/598325936.db2.gz XXQNXUJLFHSCTP-UHFFFAOYSA-N -1 3 360.437 3.164 20 0 FGADHM Cc1cccc(C2(C(=O)NCc3cccc(-c4nnn[n-]4)c3)CCCC2)c1 ZINC000737389175 598365307 /nfs/dbraw/zinc/36/53/07/598365307.db2.gz JOACEJCVCNFMAY-UHFFFAOYSA-N -1 3 361.449 3.303 20 0 FGADHM Cc1cccc(C2(C(=O)NCc3cccc(-c4nn[n-]n4)c3)CCCC2)c1 ZINC000737389175 598365310 /nfs/dbraw/zinc/36/53/10/598365310.db2.gz JOACEJCVCNFMAY-UHFFFAOYSA-N -1 3 361.449 3.303 20 0 FGADHM CCC(C)(C)NC(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000736311888 598375783 /nfs/dbraw/zinc/37/57/83/598375783.db2.gz AETBGODYANEMHN-UHFFFAOYSA-N -1 3 371.470 3.224 20 0 FGADHM CCC(C)(C)NC(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000736311888 598375784 /nfs/dbraw/zinc/37/57/84/598375784.db2.gz AETBGODYANEMHN-UHFFFAOYSA-N -1 3 371.470 3.224 20 0 FGADHM COc1ccc(C[C@@H](C)Nc2cccc(F)c2-c2nnn[n-]2)cc1OC ZINC000737087383 598387573 /nfs/dbraw/zinc/38/75/73/598387573.db2.gz NCCNCPFFERZTGN-LLVKDONJSA-N -1 3 357.389 3.066 20 0 FGADHM COc1ccc(C[C@@H](C)Nc2cccc(F)c2-c2nn[n-]n2)cc1OC ZINC000737087383 598387575 /nfs/dbraw/zinc/38/75/75/598387575.db2.gz NCCNCPFFERZTGN-LLVKDONJSA-N -1 3 357.389 3.066 20 0 FGADHM CCCOCc1ccccc1CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC000736488203 598390721 /nfs/dbraw/zinc/39/07/21/598390721.db2.gz LUWMONLKNVBGDQ-UHFFFAOYSA-N -1 3 358.833 3.454 20 0 FGADHM CCCOCc1ccccc1CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC000736488203 598390723 /nfs/dbraw/zinc/39/07/23/598390723.db2.gz LUWMONLKNVBGDQ-UHFFFAOYSA-N -1 3 358.833 3.454 20 0 FGADHM Cc1ccc(C)c(CSCC(=O)Nc2sccc2-c2nnn[n-]2)c1 ZINC000737324009 598393283 /nfs/dbraw/zinc/39/32/83/598393283.db2.gz XOIFBMZOBJDFFN-UHFFFAOYSA-N -1 3 359.480 3.417 20 0 FGADHM Cc1ccc(C)c(CSCC(=O)Nc2sccc2-c2nn[n-]n2)c1 ZINC000737324009 598393286 /nfs/dbraw/zinc/39/32/86/598393286.db2.gz XOIFBMZOBJDFFN-UHFFFAOYSA-N -1 3 359.480 3.417 20 0 FGADHM S=C(Nc1ccccc1-c1nnn[n-]1)N1CCCc2ccccc2C1 ZINC000738406139 598394956 /nfs/dbraw/zinc/39/49/56/598394956.db2.gz BDJBACFTAQCURD-UHFFFAOYSA-N -1 3 350.451 3.012 20 0 FGADHM S=C(Nc1ccccc1-c1nn[n-]n1)N1CCCc2ccccc2C1 ZINC000738406139 598394958 /nfs/dbraw/zinc/39/49/58/598394958.db2.gz BDJBACFTAQCURD-UHFFFAOYSA-N -1 3 350.451 3.012 20 0 FGADHM CCN(C(=O)c1cc(C(C)=O)cs1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736506036 598395386 /nfs/dbraw/zinc/39/53/86/598395386.db2.gz OYBGBRNZTWYUOY-LLVKDONJSA-N -1 3 369.450 3.354 20 0 FGADHM CCN(C(=O)c1cc(C(C)=O)cs1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736506036 598395388 /nfs/dbraw/zinc/39/53/88/598395388.db2.gz OYBGBRNZTWYUOY-LLVKDONJSA-N -1 3 369.450 3.354 20 0 FGADHM O=C(Oc1cccc(OCC(F)(F)F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738248487 598415393 /nfs/dbraw/zinc/41/53/93/598415393.db2.gz ZOELTXNFOJLFLA-UHFFFAOYSA-N -1 3 364.283 3.027 20 0 FGADHM O=C(Oc1cccc(OCC(F)(F)F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738248487 598415395 /nfs/dbraw/zinc/41/53/95/598415395.db2.gz ZOELTXNFOJLFLA-UHFFFAOYSA-N -1 3 364.283 3.027 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N1CC[C@H](c2ccccc2F)C1 ZINC000737802803 598423200 /nfs/dbraw/zinc/42/32/00/598423200.db2.gz XQVIIRGMGOTTMT-FEAKQIBJSA-N -1 3 363.396 3.035 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N1CC[C@H](c2ccccc2F)C1 ZINC000737802803 598423202 /nfs/dbraw/zinc/42/32/02/598423202.db2.gz XQVIIRGMGOTTMT-FEAKQIBJSA-N -1 3 363.396 3.035 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N1CC[C@@H](c2ccccc2F)C1 ZINC000737802797 598423303 /nfs/dbraw/zinc/42/33/03/598423303.db2.gz XQVIIRGMGOTTMT-BOLDSZDNSA-N -1 3 363.396 3.035 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N1CC[C@@H](c2ccccc2F)C1 ZINC000737802797 598423305 /nfs/dbraw/zinc/42/33/05/598423305.db2.gz XQVIIRGMGOTTMT-BOLDSZDNSA-N -1 3 363.396 3.035 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N1CC[C@@H](c2ccccc2F)C1 ZINC000738162139 598432487 /nfs/dbraw/zinc/43/24/87/598432487.db2.gz JFVFILBRQGHYKU-LLVKDONJSA-N -1 3 370.363 3.166 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N1CC[C@@H](c2ccccc2F)C1 ZINC000738162139 598432488 /nfs/dbraw/zinc/43/24/88/598432488.db2.gz JFVFILBRQGHYKU-LLVKDONJSA-N -1 3 370.363 3.166 20 0 FGADHM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)cn1)c1ccc(-c2ccccc2)cc1 ZINC000736120683 598438140 /nfs/dbraw/zinc/43/81/40/598438140.db2.gz ZSNFAABRDFTXIF-CQSZACIVSA-N -1 3 370.416 3.420 20 0 FGADHM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)cn1)c1ccc(-c2ccccc2)cc1 ZINC000736120683 598438142 /nfs/dbraw/zinc/43/81/42/598438142.db2.gz ZSNFAABRDFTXIF-CQSZACIVSA-N -1 3 370.416 3.420 20 0 FGADHM CCCN(C(=O)c1ccc(-c2nnn[n-]2)cn1)[C@H](CC)c1ccccc1 ZINC000736471518 598442890 /nfs/dbraw/zinc/44/28/90/598442890.db2.gz WRFMJRLYEDZXRF-QGZVFWFLSA-N -1 3 350.426 3.265 20 0 FGADHM CCCN(C(=O)c1ccc(-c2nn[n-]n2)cn1)[C@H](CC)c1ccccc1 ZINC000736471518 598442892 /nfs/dbraw/zinc/44/28/92/598442892.db2.gz WRFMJRLYEDZXRF-QGZVFWFLSA-N -1 3 350.426 3.265 20 0 FGADHM CC1(C)CO[C@H](c2ccccc2)CN1Cc1ccc(-c2nnn[n-]2)cc1F ZINC000736212664 598462325 /nfs/dbraw/zinc/46/23/25/598462325.db2.gz CTSJDLQQPBEOIP-SFHVURJKSA-N -1 3 367.428 3.358 20 0 FGADHM CC1(C)CO[C@H](c2ccccc2)CN1Cc1ccc(-c2nn[n-]n2)cc1F ZINC000736212664 598462326 /nfs/dbraw/zinc/46/23/26/598462326.db2.gz CTSJDLQQPBEOIP-SFHVURJKSA-N -1 3 367.428 3.358 20 0 FGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1)c1cc(F)c(Cl)nc1Cl ZINC000738232988 598473752 /nfs/dbraw/zinc/47/37/52/598473752.db2.gz OWXJNSNKJDOFMB-UHFFFAOYSA-N -1 3 368.155 3.065 20 0 FGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1)c1cc(F)c(Cl)nc1Cl ZINC000738232988 598473753 /nfs/dbraw/zinc/47/37/53/598473753.db2.gz OWXJNSNKJDOFMB-UHFFFAOYSA-N -1 3 368.155 3.065 20 0 FGADHM O=C(Nc1ccc(N2CCCC2)c(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000738173135 598474748 /nfs/dbraw/zinc/47/47/48/598474748.db2.gz JVZZOKGXPYKYCE-UHFFFAOYSA-N -1 3 368.828 3.373 20 0 FGADHM O=C(Nc1ccc(N2CCCC2)c(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000738173135 598474749 /nfs/dbraw/zinc/47/47/49/598474749.db2.gz JVZZOKGXPYKYCE-UHFFFAOYSA-N -1 3 368.828 3.373 20 0 FGADHM CCOc1cc(NC(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)ccc1C ZINC000736625184 598476400 /nfs/dbraw/zinc/47/64/00/598476400.db2.gz LBGRYVVRBSCJTN-UHFFFAOYSA-N -1 3 366.425 3.238 20 0 FGADHM CCOc1cc(NC(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)ccc1C ZINC000736625184 598476402 /nfs/dbraw/zinc/47/64/02/598476402.db2.gz LBGRYVVRBSCJTN-UHFFFAOYSA-N -1 3 366.425 3.238 20 0 FGADHM O=C(NC1CCCCCC1)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000738021404 598477079 /nfs/dbraw/zinc/47/70/79/598477079.db2.gz BXAMPNXLGMVKJJ-UHFFFAOYSA-N -1 3 354.458 3.264 20 0 FGADHM O=C(NC1CCCCCC1)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000738021404 598477081 /nfs/dbraw/zinc/47/70/81/598477081.db2.gz BXAMPNXLGMVKJJ-UHFFFAOYSA-N -1 3 354.458 3.264 20 0 FGADHM C[C@H](OC(=O)CCOCc1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000736150572 598482974 /nfs/dbraw/zinc/48/29/74/598482974.db2.gz OMHLAWQNFNOWCY-AWEZNQCLSA-N -1 3 352.394 3.078 20 0 FGADHM C[C@H](OC(=O)CCOCc1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000736150572 598482975 /nfs/dbraw/zinc/48/29/75/598482975.db2.gz OMHLAWQNFNOWCY-AWEZNQCLSA-N -1 3 352.394 3.078 20 0 FGADHM Cc1nc([C@H](C)NC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cs1 ZINC000737471019 598484113 /nfs/dbraw/zinc/48/41/13/598484113.db2.gz LRYSCOXWOYSTHE-ZETCQYMHSA-N -1 3 363.834 3.168 20 0 FGADHM Cc1nc([C@H](C)NC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cs1 ZINC000737471019 598484114 /nfs/dbraw/zinc/48/41/14/598484114.db2.gz LRYSCOXWOYSTHE-ZETCQYMHSA-N -1 3 363.834 3.168 20 0 FGADHM C[C@H](Oc1cccc(F)c1)C(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000736182364 598486555 /nfs/dbraw/zinc/48/65/55/598486555.db2.gz NQZANQGUTQWRKB-RYUDHWBXSA-N -1 3 356.357 3.078 20 0 FGADHM C[C@H](Oc1cccc(F)c1)C(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000736182364 598486557 /nfs/dbraw/zinc/48/65/57/598486557.db2.gz NQZANQGUTQWRKB-RYUDHWBXSA-N -1 3 356.357 3.078 20 0 FGADHM COc1ccc(Cl)cc1CC(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000737098262 598489493 /nfs/dbraw/zinc/48/94/93/598489493.db2.gz AKXKUERRFYSRQJ-NSHDSACASA-N -1 3 372.812 3.376 20 0 FGADHM COc1ccc(Cl)cc1CC(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000737098262 598489495 /nfs/dbraw/zinc/48/94/95/598489495.db2.gz AKXKUERRFYSRQJ-NSHDSACASA-N -1 3 372.812 3.376 20 0 FGADHM Cc1nn(C)c2sc(C(=O)O[C@H](C)c3cccc(-c4nnn[n-]4)c3)cc12 ZINC000737511161 598491293 /nfs/dbraw/zinc/49/12/93/598491293.db2.gz LCZRINBNQYMVMI-SNVBAGLBSA-N -1 3 368.422 3.041 20 0 FGADHM Cc1nn(C)c2sc(C(=O)O[C@H](C)c3cccc(-c4nn[n-]n4)c3)cc12 ZINC000737511161 598491294 /nfs/dbraw/zinc/49/12/94/598491294.db2.gz LCZRINBNQYMVMI-SNVBAGLBSA-N -1 3 368.422 3.041 20 0 FGADHM Clc1ccc(NCc2ccc(N3CCCC3)nc2)c(-c2nnn[n-]2)c1 ZINC000737574055 598508068 /nfs/dbraw/zinc/50/80/68/598508068.db2.gz KKKKSXDQFNBXKL-UHFFFAOYSA-N -1 3 355.833 3.127 20 0 FGADHM Clc1ccc(NCc2ccc(N3CCCC3)nc2)c(-c2nn[n-]n2)c1 ZINC000737574055 598508069 /nfs/dbraw/zinc/50/80/69/598508069.db2.gz KKKKSXDQFNBXKL-UHFFFAOYSA-N -1 3 355.833 3.127 20 0 FGADHM COc1ccc(COCCSCc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000737096917 598511734 /nfs/dbraw/zinc/51/17/34/598511734.db2.gz FLMOAULIKXWWNT-UHFFFAOYSA-N -1 3 374.441 3.464 20 0 FGADHM COc1ccc(COCCSCc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000737096917 598511736 /nfs/dbraw/zinc/51/17/36/598511736.db2.gz FLMOAULIKXWWNT-UHFFFAOYSA-N -1 3 374.441 3.464 20 0 FGADHM CCc1c(C)sc(NC(=O)COc2cccc(CC)c2)c1-c1nnn[n-]1 ZINC000736700602 598519058 /nfs/dbraw/zinc/51/90/58/598519058.db2.gz VLXPYSYBWGQCKO-UHFFFAOYSA-N -1 3 371.466 3.379 20 0 FGADHM CCc1c(C)sc(NC(=O)COc2cccc(CC)c2)c1-c1nn[n-]n1 ZINC000736700602 598519060 /nfs/dbraw/zinc/51/90/60/598519060.db2.gz VLXPYSYBWGQCKO-UHFFFAOYSA-N -1 3 371.466 3.379 20 0 FGADHM CCC[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000736425605 598527182 /nfs/dbraw/zinc/52/71/82/598527182.db2.gz KETNCOIUCOKHJW-KRWDZBQOSA-N -1 3 350.426 3.400 20 0 FGADHM CCC[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000736425605 598527183 /nfs/dbraw/zinc/52/71/83/598527183.db2.gz KETNCOIUCOKHJW-KRWDZBQOSA-N -1 3 350.426 3.400 20 0 FGADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000738113149 598533787 /nfs/dbraw/zinc/53/37/87/598533787.db2.gz VKXNDDSNTJJOPS-VQTJNVASSA-N -1 3 369.428 3.440 20 0 FGADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000738113149 598533789 /nfs/dbraw/zinc/53/37/89/598533789.db2.gz VKXNDDSNTJJOPS-VQTJNVASSA-N -1 3 369.428 3.440 20 0 FGADHM Cc1ccc(C[C@H](C)NC(=O)C=Cc2ccccc2-c2nnn[n-]2)c(C)c1 ZINC000737333973 598534897 /nfs/dbraw/zinc/53/48/97/598534897.db2.gz DMTSEKXKUPAJOL-SNGWPZLWSA-N -1 3 361.449 3.244 20 0 FGADHM Cc1ccc(C[C@H](C)NC(=O)C=Cc2ccccc2-c2nn[n-]n2)c(C)c1 ZINC000737333973 598534899 /nfs/dbraw/zinc/53/48/99/598534899.db2.gz DMTSEKXKUPAJOL-SNGWPZLWSA-N -1 3 361.449 3.244 20 0 FGADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCC2)c1cc(Cl)ccc1F ZINC000738211970 598536554 /nfs/dbraw/zinc/53/65/54/598536554.db2.gz VEZSPUGGUCRNBL-UHFFFAOYSA-N -1 3 363.805 3.462 20 0 FGADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCC2)c1cc(Cl)ccc1F ZINC000738211970 598536556 /nfs/dbraw/zinc/53/65/56/598536556.db2.gz VEZSPUGGUCRNBL-UHFFFAOYSA-N -1 3 363.805 3.462 20 0 FGADHM CCCCN(CC)C(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000736457092 598539303 /nfs/dbraw/zinc/53/93/03/598539303.db2.gz OBHVXDXGDGCRAC-UHFFFAOYSA-N -1 3 369.425 3.301 20 0 FGADHM CC1(CNC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)CCCC1 ZINC000736216125 598543071 /nfs/dbraw/zinc/54/30/71/598543071.db2.gz FJFYQTSLYIYPNV-UHFFFAOYSA-N -1 3 354.458 3.121 20 0 FGADHM CC1(CNC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)CCCC1 ZINC000736216125 598543074 /nfs/dbraw/zinc/54/30/74/598543074.db2.gz FJFYQTSLYIYPNV-UHFFFAOYSA-N -1 3 354.458 3.121 20 0 FGADHM COc1ccc(Cl)c2c1N(C(=O)c1cccc(-c3nnn[n-]3)c1)CCC2 ZINC000737096513 598543314 /nfs/dbraw/zinc/54/33/14/598543314.db2.gz CHGWTPOXIQRSON-UHFFFAOYSA-N -1 3 369.812 3.122 20 0 FGADHM COc1ccc(Cl)c2c1N(C(=O)c1cccc(-c3nn[n-]n3)c1)CCC2 ZINC000737096513 598543316 /nfs/dbraw/zinc/54/33/16/598543316.db2.gz CHGWTPOXIQRSON-UHFFFAOYSA-N -1 3 369.812 3.122 20 0 FGADHM CS[C@@H](C)C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737170354 598544249 /nfs/dbraw/zinc/54/42/49/598544249.db2.gz JEPCHYLPXPMRDM-LBPRGKRZSA-N -1 3 369.450 3.136 20 0 FGADHM CS[C@@H](C)C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737170354 598544250 /nfs/dbraw/zinc/54/42/50/598544250.db2.gz JEPCHYLPXPMRDM-LBPRGKRZSA-N -1 3 369.450 3.136 20 0 FGADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)c1ccccc1Cl ZINC000738146924 598547339 /nfs/dbraw/zinc/54/73/39/598547339.db2.gz UBPWGVDTJCZUHA-UHFFFAOYSA-N -1 3 365.727 3.374 20 0 FGADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)c1ccccc1Cl ZINC000738146924 598547341 /nfs/dbraw/zinc/54/73/41/598547341.db2.gz UBPWGVDTJCZUHA-UHFFFAOYSA-N -1 3 365.727 3.374 20 0 FGADHM COc1ccc(-c2cnc(COc3ccc(-c4nnn[n-]4)c(F)c3)o2)cc1 ZINC000737057976 598549049 /nfs/dbraw/zinc/54/90/49/598549049.db2.gz VRCWBJKKPARPLM-UHFFFAOYSA-N -1 3 367.340 3.248 20 0 FGADHM COc1ccc(-c2cnc(COc3ccc(-c4nn[n-]n4)c(F)c3)o2)cc1 ZINC000737057976 598549050 /nfs/dbraw/zinc/54/90/50/598549050.db2.gz VRCWBJKKPARPLM-UHFFFAOYSA-N -1 3 367.340 3.248 20 0 FGADHM CCc1ccc(-c2noc(COc3ccc(-c4nnn[n-]4)c(F)c3)n2)cc1 ZINC000736677453 598549407 /nfs/dbraw/zinc/54/94/07/598549407.db2.gz LAYKHIJGYWBRJE-UHFFFAOYSA-N -1 3 366.356 3.197 20 0 FGADHM CCc1ccc(-c2noc(COc3ccc(-c4nn[n-]n4)c(F)c3)n2)cc1 ZINC000736677453 598549408 /nfs/dbraw/zinc/54/94/08/598549408.db2.gz LAYKHIJGYWBRJE-UHFFFAOYSA-N -1 3 366.356 3.197 20 0 FGADHM Cn1cccc1C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737611034 598555570 /nfs/dbraw/zinc/55/55/70/598555570.db2.gz AJMJVTALFOLLDD-UHFFFAOYSA-N -1 3 360.377 3.250 20 0 FGADHM Cn1cccc1C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737611034 598555572 /nfs/dbraw/zinc/55/55/72/598555572.db2.gz AJMJVTALFOLLDD-UHFFFAOYSA-N -1 3 360.377 3.250 20 0 FGADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)N1CCc2ccccc21 ZINC000738145418 598561554 /nfs/dbraw/zinc/56/15/54/598561554.db2.gz KWMFNSIGXMADOD-UHFFFAOYSA-N -1 3 372.335 3.063 20 0 FGADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)N1CCc2ccccc21 ZINC000738145418 598561556 /nfs/dbraw/zinc/56/15/56/598561556.db2.gz KWMFNSIGXMADOD-UHFFFAOYSA-N -1 3 372.335 3.063 20 0 FGADHM C[C@@H](C(=O)OCc1cn2ccccc2c1-c1nnn[n-]1)c1ccccc1F ZINC000735572861 598563535 /nfs/dbraw/zinc/56/35/35/598563535.db2.gz YQLFDZMSUHRVED-GFCCVEGCSA-N -1 3 365.368 3.105 20 0 FGADHM C[C@@H](C(=O)OCc1cn2ccccc2c1-c1nn[n-]n1)c1ccccc1F ZINC000735572861 598563537 /nfs/dbraw/zinc/56/35/37/598563537.db2.gz YQLFDZMSUHRVED-GFCCVEGCSA-N -1 3 365.368 3.105 20 0 FGADHM CCCC[C@H](CC)CNC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000736438150 598569173 /nfs/dbraw/zinc/56/91/73/598569173.db2.gz MEWKDMVGCPRIKM-YJBOKZPZSA-N -1 3 370.501 3.168 20 0 FGADHM O=C(CSc1ccc(C(F)(F)F)cn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737946467 598569876 /nfs/dbraw/zinc/56/98/76/598569876.db2.gz FSUNLPXSZYGDJU-UHFFFAOYSA-N -1 3 365.340 3.256 20 0 FGADHM O=C(CSc1ccc(C(F)(F)F)cn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737946467 598569877 /nfs/dbraw/zinc/56/98/77/598569877.db2.gz FSUNLPXSZYGDJU-UHFFFAOYSA-N -1 3 365.340 3.256 20 0 FGADHM CN(c1ccccc1)c1ccc(C(=O)Nc2ccccc2-c2nnn[n-]2)cn1 ZINC000736844817 598573389 /nfs/dbraw/zinc/57/33/89/598573389.db2.gz YIMRUMXUKLEDAY-UHFFFAOYSA-N -1 3 371.404 3.282 20 0 FGADHM CN(c1ccccc1)c1ccc(C(=O)Nc2ccccc2-c2nn[n-]n2)cn1 ZINC000736844817 598573390 /nfs/dbraw/zinc/57/33/90/598573390.db2.gz YIMRUMXUKLEDAY-UHFFFAOYSA-N -1 3 371.404 3.282 20 0 FGADHM CCc1ccc(OC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736690997 598574434 /nfs/dbraw/zinc/57/44/34/598574434.db2.gz MMULILOGQPPUSJ-GOSISDBHSA-N -1 3 363.421 3.004 20 0 FGADHM Cc1ncsc1CN(C)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000737503552 598580328 /nfs/dbraw/zinc/58/03/28/598580328.db2.gz NTPJFCBTIWIACH-UHFFFAOYSA-N -1 3 354.361 3.287 20 0 FGADHM Cc1ncsc1CN(C)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000737503552 598580330 /nfs/dbraw/zinc/58/03/30/598580330.db2.gz NTPJFCBTIWIACH-UHFFFAOYSA-N -1 3 354.361 3.287 20 0 FGADHM O[C@@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)c1ccc2ccccc2c1 ZINC000738380917 598580840 /nfs/dbraw/zinc/58/08/40/598580840.db2.gz DJWRYVCVFJEURO-INIZCTEOSA-N -1 3 366.812 3.214 20 0 FGADHM O[C@@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)c1ccc2ccccc2c1 ZINC000738380917 598580842 /nfs/dbraw/zinc/58/08/42/598580842.db2.gz DJWRYVCVFJEURO-INIZCTEOSA-N -1 3 366.812 3.214 20 0 FGADHM Cn1cc(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c(C2CCCCC2)n1 ZINC000737603198 598583614 /nfs/dbraw/zinc/58/36/14/598583614.db2.gz NQGYRRJNAJHWMD-UHFFFAOYSA-N -1 3 369.404 3.039 20 0 FGADHM Cn1cc(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c(C2CCCCC2)n1 ZINC000737603198 598583615 /nfs/dbraw/zinc/58/36/15/598583615.db2.gz NQGYRRJNAJHWMD-UHFFFAOYSA-N -1 3 369.404 3.039 20 0 FGADHM Cc1nc(CC(C)C)sc1C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737473547 598583662 /nfs/dbraw/zinc/58/36/62/598583662.db2.gz DFXUOAUVIFEHCE-UHFFFAOYSA-N -1 3 360.418 3.222 20 0 FGADHM Cc1nc(CC(C)C)sc1C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737473547 598583664 /nfs/dbraw/zinc/58/36/64/598583664.db2.gz DFXUOAUVIFEHCE-UHFFFAOYSA-N -1 3 360.418 3.222 20 0 FGADHM O=C(NCCCNc1ccccc1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000738075845 598583869 /nfs/dbraw/zinc/58/38/69/598583869.db2.gz MLYMSULIYGLTRZ-UHFFFAOYSA-N -1 3 371.832 3.144 20 0 FGADHM O=C(NCCCNc1ccccc1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000738075845 598583870 /nfs/dbraw/zinc/58/38/70/598583870.db2.gz MLYMSULIYGLTRZ-UHFFFAOYSA-N -1 3 371.832 3.144 20 0 FGADHM C[C@H]1C[C@@H]1c1ccc(CCC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)o1 ZINC000736242110 598587493 /nfs/dbraw/zinc/58/74/93/598587493.db2.gz ZDXHRUBBVLKLJE-GWCFXTLKSA-N -1 3 355.373 3.294 20 0 FGADHM C[C@H]1C[C@@H]1c1ccc(CCC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)o1 ZINC000736242110 598587494 /nfs/dbraw/zinc/58/74/94/598587494.db2.gz ZDXHRUBBVLKLJE-GWCFXTLKSA-N -1 3 355.373 3.294 20 0 FGADHM CSCc1cccc(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)c1 ZINC000737186966 598587850 /nfs/dbraw/zinc/58/78/50/598587850.db2.gz MNGAADUGVUQYAV-KTKRTIGZSA-N -1 3 351.435 3.382 20 0 FGADHM CSCc1cccc(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)c1 ZINC000737186966 598587851 /nfs/dbraw/zinc/58/78/51/598587851.db2.gz MNGAADUGVUQYAV-KTKRTIGZSA-N -1 3 351.435 3.382 20 0 FGADHM c1ccc(CCCc2noc(COc3cccc(-c4nnn[n-]4)c3)n2)cc1 ZINC000738428155 598611602 /nfs/dbraw/zinc/61/16/02/598611602.db2.gz LDEONFTYHSNBCY-UHFFFAOYSA-N -1 3 362.393 3.004 20 0 FGADHM c1ccc(CCCc2noc(COc3cccc(-c4nn[n-]n4)c3)n2)cc1 ZINC000738428155 598611604 /nfs/dbraw/zinc/61/16/04/598611604.db2.gz LDEONFTYHSNBCY-UHFFFAOYSA-N -1 3 362.393 3.004 20 0 FGADHM C[C@H](NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1cc(F)ccc1F ZINC000736114349 598623930 /nfs/dbraw/zinc/62/39/30/598623930.db2.gz BIFBWNKHGQERCR-QMMMGPOBSA-N -1 3 362.315 3.167 20 0 FGADHM C[C@H](NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1cc(F)ccc1F ZINC000736114349 598623932 /nfs/dbraw/zinc/62/39/32/598623932.db2.gz BIFBWNKHGQERCR-QMMMGPOBSA-N -1 3 362.315 3.167 20 0 FGADHM CCCc1cc(NC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)n[nH]1 ZINC000736498437 598624033 /nfs/dbraw/zinc/62/40/33/598624033.db2.gz ZZABJIMYPRFBLA-UHFFFAOYSA-N -1 3 373.420 3.462 20 0 FGADHM CCCc1cc(NC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)n[nH]1 ZINC000736498437 598624036 /nfs/dbraw/zinc/62/40/36/598624036.db2.gz ZZABJIMYPRFBLA-UHFFFAOYSA-N -1 3 373.420 3.462 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N[C@@H]1CCc2c1cccc2Cl ZINC000738168311 598625609 /nfs/dbraw/zinc/62/56/09/598625609.db2.gz ZGSFWVWEIYPJSR-OAHLLOKOSA-N -1 3 372.791 3.468 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N[C@@H]1CCc2c1cccc2Cl ZINC000738168311 598625610 /nfs/dbraw/zinc/62/56/10/598625610.db2.gz ZGSFWVWEIYPJSR-OAHLLOKOSA-N -1 3 372.791 3.468 20 0 FGADHM C[C@H](Nc1cc(Cl)ccc1-c1nnn[n-]1)c1ccc(-n2cncn2)cc1 ZINC000736140003 598630092 /nfs/dbraw/zinc/63/00/92/598630092.db2.gz SQTIAANTDFVDDQ-NSHDSACASA-N -1 3 366.816 3.274 20 0 FGADHM C[C@H](Nc1cc(Cl)ccc1-c1nn[n-]n1)c1ccc(-n2cncn2)cc1 ZINC000736140003 598630094 /nfs/dbraw/zinc/63/00/94/598630094.db2.gz SQTIAANTDFVDDQ-NSHDSACASA-N -1 3 366.816 3.274 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N1CCC[C@H]1c1ccccc1 ZINC000738162155 598632882 /nfs/dbraw/zinc/63/28/82/598632882.db2.gz JLFHFWPUZXBEEB-INIZCTEOSA-N -1 3 352.373 3.375 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N1CCC[C@H]1c1ccccc1 ZINC000738162155 598632884 /nfs/dbraw/zinc/63/28/84/598632884.db2.gz JLFHFWPUZXBEEB-INIZCTEOSA-N -1 3 352.373 3.375 20 0 FGADHM O=C(NC[C@H]1CCCc2ccccc21)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738048251 598633230 /nfs/dbraw/zinc/63/32/30/598633230.db2.gz DYEDKEKNJPOPQM-CYBMUJFWSA-N -1 3 366.400 3.247 20 0 FGADHM O=C(NC[C@H]1CCCc2ccccc21)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738048251 598633231 /nfs/dbraw/zinc/63/32/31/598633231.db2.gz DYEDKEKNJPOPQM-CYBMUJFWSA-N -1 3 366.400 3.247 20 0 FGADHM C[C@H]1CN(c2c(Cl)cccc2-c2nnn[n-]2)C[C@@H](c2ccccc2)O1 ZINC000736287783 598634005 /nfs/dbraw/zinc/63/40/05/598634005.db2.gz FNADPXNKFLZJEC-LRDDRELGSA-N -1 3 355.829 3.487 20 0 FGADHM C[C@H]1CN(c2c(Cl)cccc2-c2nn[n-]n2)C[C@@H](c2ccccc2)O1 ZINC000736287783 598634006 /nfs/dbraw/zinc/63/40/06/598634006.db2.gz FNADPXNKFLZJEC-LRDDRELGSA-N -1 3 355.829 3.487 20 0 FGADHM C[C@@H]1Cc2ccccc2[C@H]1NC(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000736300188 598643216 /nfs/dbraw/zinc/64/32/16/598643216.db2.gz VEHOJJVMGACLQT-BZNIZROVSA-N -1 3 350.451 3.087 20 0 FGADHM C[C@@H]1Cc2ccccc2[C@H]1NC(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000736300188 598643217 /nfs/dbraw/zinc/64/32/17/598643217.db2.gz VEHOJJVMGACLQT-BZNIZROVSA-N -1 3 350.451 3.087 20 0 FGADHM CCN(C(=O)c1ncoc1C(C)C)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736509160 598651582 /nfs/dbraw/zinc/65/15/82/598651582.db2.gz TWRKZHWLDUMVML-LBPRGKRZSA-N -1 3 354.414 3.201 20 0 FGADHM CCN(C(=O)c1ncoc1C(C)C)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736509160 598651584 /nfs/dbraw/zinc/65/15/84/598651584.db2.gz TWRKZHWLDUMVML-LBPRGKRZSA-N -1 3 354.414 3.201 20 0 FGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000737944261 598651681 /nfs/dbraw/zinc/65/16/81/598651681.db2.gz ZNYFHOHPDXVDMW-CWRNSKLLSA-N -1 3 371.510 3.434 20 0 FGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000737944261 598651683 /nfs/dbraw/zinc/65/16/83/598651683.db2.gz ZNYFHOHPDXVDMW-CWRNSKLLSA-N -1 3 371.510 3.434 20 0 FGADHM CCN(C(=O)CC[C@H]1CCCCO1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736502633 598651723 /nfs/dbraw/zinc/65/17/23/598651723.db2.gz OXWYYCZIZBHILO-RHSMWYFYSA-N -1 3 357.458 3.126 20 0 FGADHM CCN(C(=O)CC[C@H]1CCCCO1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736502633 598651725 /nfs/dbraw/zinc/65/17/25/598651725.db2.gz OXWYYCZIZBHILO-RHSMWYFYSA-N -1 3 357.458 3.126 20 0 FGADHM C[C@@H]1CCCC[C@H]1CNC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736271936 598654283 /nfs/dbraw/zinc/65/42/83/598654283.db2.gz PISXZQMBHRYMGP-WBVHZDCISA-N -1 3 371.485 3.358 20 0 FGADHM C[C@@H]1CCCC[C@H]1CNC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736271936 598654285 /nfs/dbraw/zinc/65/42/85/598654285.db2.gz PISXZQMBHRYMGP-WBVHZDCISA-N -1 3 371.485 3.358 20 0 FGADHM Cc1ccc([C@H](C)NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000737321264 598655777 /nfs/dbraw/zinc/65/57/77/598655777.db2.gz RYMAXTCSPPIFIJ-NSHDSACASA-N -1 3 359.480 3.206 20 0 FGADHM Cc1ccc([C@H](C)NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000737321264 598655778 /nfs/dbraw/zinc/65/57/78/598655778.db2.gz RYMAXTCSPPIFIJ-NSHDSACASA-N -1 3 359.480 3.206 20 0 FGADHM C[C@H]1CCCN(C(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736267933 598655938 /nfs/dbraw/zinc/65/59/38/598655938.db2.gz VCDMYTUPIDURFF-HNNXBMFYSA-N -1 3 357.458 3.064 20 0 FGADHM C[C@H]1CCCN(C(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736267933 598655939 /nfs/dbraw/zinc/65/59/39/598655939.db2.gz VCDMYTUPIDURFF-HNNXBMFYSA-N -1 3 357.458 3.064 20 0 FGADHM COc1ccccc1[C@@H](C)CC(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000737143166 598657157 /nfs/dbraw/zinc/65/71/57/598657157.db2.gz STDQAPJAERVBML-ZDUSSCGKSA-N -1 3 351.410 3.316 20 0 FGADHM COc1ccccc1[C@@H](C)CC(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000737143166 598657159 /nfs/dbraw/zinc/65/71/59/598657159.db2.gz STDQAPJAERVBML-ZDUSSCGKSA-N -1 3 351.410 3.316 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cn1)c1cc2c(s1)CCCCCC2 ZINC000738152306 598659926 /nfs/dbraw/zinc/65/99/26/598659926.db2.gz UJVFXXYIXYPTMB-UHFFFAOYSA-N -1 3 354.439 3.235 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cn1)c1cc2c(s1)CCCCCC2 ZINC000738152306 598659928 /nfs/dbraw/zinc/65/99/28/598659928.db2.gz UJVFXXYIXYPTMB-UHFFFAOYSA-N -1 3 354.439 3.235 20 0 FGADHM Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)cn2)c1 ZINC000737316487 598661745 /nfs/dbraw/zinc/66/17/45/598661745.db2.gz DCTSUNXDJLIWEW-ZDUSSCGKSA-N -1 3 366.425 3.100 20 0 FGADHM Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)cn2)c1 ZINC000737316487 598661747 /nfs/dbraw/zinc/66/17/47/598661747.db2.gz DCTSUNXDJLIWEW-ZDUSSCGKSA-N -1 3 366.425 3.100 20 0 FGADHM CC[C@@H](Sc1ccccc1)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000736392364 598664858 /nfs/dbraw/zinc/66/48/58/598664858.db2.gz RAFWDQUTVGQYHM-MRXNPFEDSA-N -1 3 371.441 3.193 20 0 FGADHM CC[C@@H](Sc1ccccc1)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000736392364 598664859 /nfs/dbraw/zinc/66/48/59/598664859.db2.gz RAFWDQUTVGQYHM-MRXNPFEDSA-N -1 3 371.441 3.193 20 0 FGADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000737962023 598670377 /nfs/dbraw/zinc/67/03/77/598670377.db2.gz MUXWWUJEICFSQB-MRXNPFEDSA-N -1 3 367.840 3.079 20 0 FGADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000737962023 598670379 /nfs/dbraw/zinc/67/03/79/598670379.db2.gz MUXWWUJEICFSQB-MRXNPFEDSA-N -1 3 367.840 3.079 20 0 FGADHM Cc1cccc2[nH]cc(CCNc3ncc(-c4nnn[n-]4)cc3Cl)c21 ZINC000737407340 598674355 /nfs/dbraw/zinc/67/43/55/598674355.db2.gz DNHBHEWKVKBBHU-UHFFFAOYSA-N -1 3 353.817 3.359 20 0 FGADHM Cc1cccc2[nH]cc(CCNc3ncc(-c4nn[n-]n4)cc3Cl)c21 ZINC000737407340 598674356 /nfs/dbraw/zinc/67/43/56/598674356.db2.gz DNHBHEWKVKBBHU-UHFFFAOYSA-N -1 3 353.817 3.359 20 0 FGADHM CN(CC1CCC1)c1c(-c2nnn[n-]2)cnc2ccc(OC(F)F)cc21 ZINC000736795884 598680103 /nfs/dbraw/zinc/68/01/03/598680103.db2.gz ZGQBKDVDIOKDGD-UHFFFAOYSA-N -1 3 360.368 3.253 20 0 FGADHM CN(CC1CCC1)c1c(-c2nn[n-]n2)cnc2ccc(OC(F)F)cc21 ZINC000736795884 598680105 /nfs/dbraw/zinc/68/01/05/598680105.db2.gz ZGQBKDVDIOKDGD-UHFFFAOYSA-N -1 3 360.368 3.253 20 0 FGADHM COc1ccc(Cl)cc1C(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737098767 598701693 /nfs/dbraw/zinc/70/16/93/598701693.db2.gz ZMLDIVXNOCAXIE-UHFFFAOYSA-N -1 3 362.748 3.025 20 0 FGADHM COc1ccc(Cl)cc1C(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737098767 598701695 /nfs/dbraw/zinc/70/16/95/598701695.db2.gz ZMLDIVXNOCAXIE-UHFFFAOYSA-N -1 3 362.748 3.025 20 0 FGADHM CC(C)OCc1ccc(C(=O)OCc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000735904573 598704409 /nfs/dbraw/zinc/70/44/09/598704409.db2.gz QRYFZVCUJSPSHN-UHFFFAOYSA-N -1 3 370.384 3.288 20 0 FGADHM CC(C)OCc1ccc(C(=O)OCc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000735904573 598704410 /nfs/dbraw/zinc/70/44/10/598704410.db2.gz QRYFZVCUJSPSHN-UHFFFAOYSA-N -1 3 370.384 3.288 20 0 FGADHM Cc1ccc2c(CC(=O)OCc3ccc(F)cc3-c3nnn[n-]3)c[nH]c2c1 ZINC000737371569 598710720 /nfs/dbraw/zinc/71/07/20/598710720.db2.gz HDZIAKOAJKQHMA-UHFFFAOYSA-N -1 3 365.368 3.081 20 0 FGADHM Cc1ccc2c(CC(=O)OCc3ccc(F)cc3-c3nn[n-]n3)c[nH]c2c1 ZINC000737371569 598710721 /nfs/dbraw/zinc/71/07/21/598710721.db2.gz HDZIAKOAJKQHMA-UHFFFAOYSA-N -1 3 365.368 3.081 20 0 FGADHM Fc1cc2cccnc2c(Cn2ccc(-c3ccc(-c4nnn[n-]4)cc3)n2)c1 ZINC000737644795 598722980 /nfs/dbraw/zinc/72/29/80/598722980.db2.gz MCJIKVKMRXHKCA-UHFFFAOYSA-N -1 3 371.379 3.466 20 0 FGADHM Fc1cc2cccnc2c(Cn2ccc(-c3ccc(-c4nn[n-]n4)cc3)n2)c1 ZINC000737644795 598722982 /nfs/dbraw/zinc/72/29/82/598722982.db2.gz MCJIKVKMRXHKCA-UHFFFAOYSA-N -1 3 371.379 3.466 20 0 FGADHM Cc1ccc(C)c(OCCn2ccc(-c3ccc(-c4nnn[n-]4)cc3)n2)c1 ZINC000737325697 598723290 /nfs/dbraw/zinc/72/32/90/598723290.db2.gz GSWIYCRBVUXZKR-UHFFFAOYSA-N -1 3 360.421 3.426 20 0 FGADHM Cc1ccc(C)c(OCCn2ccc(-c3ccc(-c4nn[n-]n4)cc3)n2)c1 ZINC000737325697 598723291 /nfs/dbraw/zinc/72/32/91/598723291.db2.gz GSWIYCRBVUXZKR-UHFFFAOYSA-N -1 3 360.421 3.426 20 0 FGADHM O=C(NC[C@@H]1CCc2ccccc21)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000738051390 598728366 /nfs/dbraw/zinc/72/83/66/598728366.db2.gz NHFRENLOWAATGT-LBPRGKRZSA-N -1 3 368.828 3.372 20 0 FGADHM O=C(NC[C@@H]1CCc2ccccc21)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000738051390 598728367 /nfs/dbraw/zinc/72/83/67/598728367.db2.gz NHFRENLOWAATGT-LBPRGKRZSA-N -1 3 368.828 3.372 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H](C)Cc1ccccc1 ZINC000736634785 598741837 /nfs/dbraw/zinc/74/18/37/598741837.db2.gz IQZLBOLIQDTHDZ-CYBMUJFWSA-N -1 3 351.410 3.083 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H](C)Cc1ccccc1 ZINC000736634785 598741838 /nfs/dbraw/zinc/74/18/38/598741838.db2.gz IQZLBOLIQDTHDZ-CYBMUJFWSA-N -1 3 351.410 3.083 20 0 FGADHM CCS[C@H]1CCCCN(C(=O)C=Cc2ccccc2-c2nnn[n-]2)C1 ZINC000736668327 598742870 /nfs/dbraw/zinc/74/28/70/598742870.db2.gz ZPWCREDLRISQTC-WOLCWHLNSA-N -1 3 357.483 3.014 20 0 FGADHM CCS[C@H]1CCCCN(C(=O)C=Cc2ccccc2-c2nn[n-]n2)C1 ZINC000736668327 598742871 /nfs/dbraw/zinc/74/28/71/598742871.db2.gz ZPWCREDLRISQTC-WOLCWHLNSA-N -1 3 357.483 3.014 20 0 FGADHM Clc1cc(-c2nnn[n-]2)cnc1NCc1ncc(-c2ccccc2)o1 ZINC000737557207 598744565 /nfs/dbraw/zinc/74/45/65/598744565.db2.gz DGOKEUQMCYJOHQ-UHFFFAOYSA-N -1 3 353.773 3.182 20 0 FGADHM Clc1cc(-c2nn[n-]n2)cnc1NCc1ncc(-c2ccccc2)o1 ZINC000737557207 598744566 /nfs/dbraw/zinc/74/45/66/598744566.db2.gz DGOKEUQMCYJOHQ-UHFFFAOYSA-N -1 3 353.773 3.182 20 0 FGADHM O=C(C[C@H]1CCc2ccccc2C1)OCc1ccc(-c2nnn[n-]2)cc1F ZINC000737818730 598750894 /nfs/dbraw/zinc/75/08/94/598750894.db2.gz KJMLXNFGPPTHIX-ZDUSSCGKSA-N -1 3 366.396 3.244 20 0 FGADHM O=C(C[C@H]1CCc2ccccc2C1)OCc1ccc(-c2nn[n-]n2)cc1F ZINC000737818730 598750895 /nfs/dbraw/zinc/75/08/95/598750895.db2.gz KJMLXNFGPPTHIX-ZDUSSCGKSA-N -1 3 366.396 3.244 20 0 FGADHM C[C@H](Oc1cccc(F)c1)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736179821 598751214 /nfs/dbraw/zinc/75/12/14/598751214.db2.gz FXWKWXLTQJMUSK-VIFPVBQESA-N -1 3 361.764 3.065 20 0 FGADHM C[C@H](Oc1cccc(F)c1)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736179821 598751215 /nfs/dbraw/zinc/75/12/15/598751215.db2.gz FXWKWXLTQJMUSK-VIFPVBQESA-N -1 3 361.764 3.065 20 0 FGADHM Fc1cccc(N2CCO[C@@H](c3ccccc3Cl)C2)c1-c1nnn[n-]1 ZINC000737661762 598756293 /nfs/dbraw/zinc/75/62/93/598756293.db2.gz PUYVZWKQNWGONX-OAHLLOKOSA-N -1 3 359.792 3.237 20 0 FGADHM Fc1cccc(N2CCO[C@@H](c3ccccc3Cl)C2)c1-c1nn[n-]n1 ZINC000737661762 598756294 /nfs/dbraw/zinc/75/62/94/598756294.db2.gz PUYVZWKQNWGONX-OAHLLOKOSA-N -1 3 359.792 3.237 20 0 FGADHM C[C@H](Oc1ccc(F)cc1Cl)C(=O)Nc1sccc1-c1nnn[n-]1 ZINC000736174242 598760177 /nfs/dbraw/zinc/76/01/77/598760177.db2.gz MCJSZNQWPFWQNK-ZETCQYMHSA-N -1 3 367.793 3.127 20 0 FGADHM C[C@H](Oc1ccc(F)cc1Cl)C(=O)Nc1sccc1-c1nn[n-]n1 ZINC000736174242 598760178 /nfs/dbraw/zinc/76/01/78/598760178.db2.gz MCJSZNQWPFWQNK-ZETCQYMHSA-N -1 3 367.793 3.127 20 0 FGADHM Fc1cc(F)c2ncc(-c3nnn[n-]3)c(NCCOc3ccccc3)c2c1 ZINC000737651311 598771052 /nfs/dbraw/zinc/77/10/52/598771052.db2.gz JTBOWDNJTCJWAP-UHFFFAOYSA-N -1 3 368.347 3.184 20 0 FGADHM Fc1cc(F)c2ncc(-c3nn[n-]n3)c(NCCOc3ccccc3)c2c1 ZINC000737651311 598771054 /nfs/dbraw/zinc/77/10/54/598771054.db2.gz JTBOWDNJTCJWAP-UHFFFAOYSA-N -1 3 368.347 3.184 20 0 FGADHM Fc1cc(F)c2ncc(-c3nnn[n-]3)c(NCCOC3CCCC3)c2c1 ZINC000737652710 598771888 /nfs/dbraw/zinc/77/18/88/598771888.db2.gz NZMJBCAUWOQGLN-UHFFFAOYSA-N -1 3 360.368 3.064 20 0 FGADHM Fc1cc(F)c2ncc(-c3nn[n-]n3)c(NCCOC3CCCC3)c2c1 ZINC000737652710 598771889 /nfs/dbraw/zinc/77/18/89/598771889.db2.gz NZMJBCAUWOQGLN-UHFFFAOYSA-N -1 3 360.368 3.064 20 0 FGADHM CCC(=CC(=O)OCCOc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000736305867 598780252 /nfs/dbraw/zinc/78/02/52/598780252.db2.gz XNHPFJBFMBREMF-CCEZHUSRSA-N -1 3 364.405 3.282 20 0 FGADHM CCC(=CC(=O)OCCOc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000736305867 598780253 /nfs/dbraw/zinc/78/02/53/598780253.db2.gz XNHPFJBFMBREMF-CCEZHUSRSA-N -1 3 364.405 3.282 20 0 FGADHM Cc1ccc2oc(C(=O)Nc3sc4c(c3-c3nnn[n-]3)CCC4)cc2n1 ZINC000737380756 598788926 /nfs/dbraw/zinc/78/89/26/598788926.db2.gz RDADTPXEJFCXFT-UHFFFAOYSA-N -1 3 366.406 3.119 20 0 FGADHM Cc1ccc2oc(C(=O)Nc3sc4c(c3-c3nn[n-]n3)CCC4)cc2n1 ZINC000737380756 598788928 /nfs/dbraw/zinc/78/89/28/598788928.db2.gz RDADTPXEJFCXFT-UHFFFAOYSA-N -1 3 366.406 3.119 20 0 FGADHM CCc1c(C)sc(NC(=O)[C@H]2CCc3ccccc32)c1-c1nnn[n-]1 ZINC000736672088 598791198 /nfs/dbraw/zinc/79/11/98/598791198.db2.gz XYOCCEXYBXWDGZ-AWEZNQCLSA-N -1 3 353.451 3.468 20 0 FGADHM CCc1c(C)sc(NC(=O)[C@H]2CCc3ccccc32)c1-c1nn[n-]n1 ZINC000736672088 598791199 /nfs/dbraw/zinc/79/11/99/598791199.db2.gz XYOCCEXYBXWDGZ-AWEZNQCLSA-N -1 3 353.451 3.468 20 0 FGADHM O=C(Cc1coc2ccc3ccccc3c12)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000737977370 598806244 /nfs/dbraw/zinc/80/62/44/598806244.db2.gz BOAUKBZATOVBLA-UHFFFAOYSA-N -1 3 370.372 3.342 20 0 FGADHM O=C(Cc1coc2ccc3ccccc3c12)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000737977370 598806245 /nfs/dbraw/zinc/80/62/45/598806245.db2.gz BOAUKBZATOVBLA-UHFFFAOYSA-N -1 3 370.372 3.342 20 0 FGADHM CC(C)(C)CCCC(=O)Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000735603717 598807167 /nfs/dbraw/zinc/80/71/67/598807167.db2.gz OMXAXLKOIDZJFI-UHFFFAOYSA-N -1 3 353.430 3.207 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N1CCCC[C@@H]1c1nccs1 ZINC000737796477 598807820 /nfs/dbraw/zinc/80/78/20/598807820.db2.gz HAKDUHGKWNRFON-WHLNPGIBSA-N -1 3 366.450 3.090 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N1CCCC[C@@H]1c1nccs1 ZINC000737796477 598807822 /nfs/dbraw/zinc/80/78/22/598807822.db2.gz HAKDUHGKWNRFON-WHLNPGIBSA-N -1 3 366.450 3.090 20 0 FGADHM FC(F)(F)c1ccc(CN(c2ncccc2-c2nnn[n-]2)C2CC2)cc1 ZINC000737636496 598816012 /nfs/dbraw/zinc/81/60/12/598816012.db2.gz UWOHMIGAUDISMP-UHFFFAOYSA-N -1 3 360.343 3.450 20 0 FGADHM FC(F)(F)c1ccc(CN(c2ncccc2-c2nn[n-]n2)C2CC2)cc1 ZINC000737636496 598816014 /nfs/dbraw/zinc/81/60/14/598816014.db2.gz UWOHMIGAUDISMP-UHFFFAOYSA-N -1 3 360.343 3.450 20 0 FGADHM CCC[C@H]1CCc2c(sc(=O)n2Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736435358 598818184 /nfs/dbraw/zinc/81/81/84/598818184.db2.gz LCSOCGOEYVJBGA-LBPRGKRZSA-N -1 3 355.467 3.043 20 0 FGADHM CCC[C@H]1CCc2c(sc(=O)n2Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736435358 598818186 /nfs/dbraw/zinc/81/81/86/598818186.db2.gz LCSOCGOEYVJBGA-LBPRGKRZSA-N -1 3 355.467 3.043 20 0 FGADHM CCN(C(=O)c1cnc(C2CC2)s1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736509304 598818702 /nfs/dbraw/zinc/81/87/02/598818702.db2.gz UOHANWJNRWXKIE-LLVKDONJSA-N -1 3 368.466 3.424 20 0 FGADHM CCN(C(=O)c1cnc(C2CC2)s1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736509304 598818704 /nfs/dbraw/zinc/81/87/04/598818704.db2.gz UOHANWJNRWXKIE-LLVKDONJSA-N -1 3 368.466 3.424 20 0 FGADHM CCOc1cc(C(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)ccc1C ZINC000736628964 598822000 /nfs/dbraw/zinc/82/20/00/598822000.db2.gz ZRJCDTUJAYLAPQ-ZDUSSCGKSA-N -1 3 351.410 3.065 20 0 FGADHM CCOc1cc(C(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)ccc1C ZINC000736628964 598822002 /nfs/dbraw/zinc/82/20/02/598822002.db2.gz ZRJCDTUJAYLAPQ-ZDUSSCGKSA-N -1 3 351.410 3.065 20 0 FGADHM CSCC[C@H](C)NC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000821962034 599293010 /nfs/dbraw/zinc/29/30/10/599293010.db2.gz NVTIMFBJGRBBCY-QMMMGPOBSA-N -1 3 374.392 3.149 20 0 FGADHM CCN(C)C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000821159933 599297477 /nfs/dbraw/zinc/29/74/77/599297477.db2.gz DREJGJWAMGBGFH-UHFFFAOYSA-N -1 3 356.361 3.282 20 0 FGADHM CCN(C)C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000821159933 599297478 /nfs/dbraw/zinc/29/74/78/599297478.db2.gz DREJGJWAMGBGFH-UHFFFAOYSA-N -1 3 356.361 3.282 20 0 FGADHM CCN(C(=O)c1ccc2cc(OC)ccc2n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736507984 599310431 /nfs/dbraw/zinc/31/04/31/599310431.db2.gz HYEKYJMPIWYNJX-UHFFFAOYSA-N -1 3 374.404 3.090 20 0 FGADHM CCN(C(=O)c1ccc2cc(OC)ccc2n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736507984 599310434 /nfs/dbraw/zinc/31/04/34/599310434.db2.gz HYEKYJMPIWYNJX-UHFFFAOYSA-N -1 3 374.404 3.090 20 0 FGADHM CCN(C(=O)c1cccc(OC(F)F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736509405 599312883 /nfs/dbraw/zinc/31/28/83/599312883.db2.gz XQROAERHMRZQHG-UHFFFAOYSA-N -1 3 359.336 3.135 20 0 FGADHM CCN(C(=O)c1cccc(OC(F)F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736509405 599312886 /nfs/dbraw/zinc/31/28/86/599312886.db2.gz XQROAERHMRZQHG-UHFFFAOYSA-N -1 3 359.336 3.135 20 0 FGADHM CC(C)[C@@H](Sc1ccccc1-c1nnn[n-]1)C(=O)N1CCC[C@@H](C)C1 ZINC000820703046 599346860 /nfs/dbraw/zinc/34/68/60/599346860.db2.gz CLGHTETYLFBMKC-CZUORRHYSA-N -1 3 359.499 3.242 20 0 FGADHM CC(C)[C@@H](Sc1ccccc1-c1nn[n-]n1)C(=O)N1CCC[C@@H](C)C1 ZINC000820703046 599346861 /nfs/dbraw/zinc/34/68/61/599346861.db2.gz CLGHTETYLFBMKC-CZUORRHYSA-N -1 3 359.499 3.242 20 0 FGADHM O=C(Nc1cc(C2CCCCCC2)[nH]n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738144964 599348007 /nfs/dbraw/zinc/34/80/07/599348007.db2.gz HVTRMNQLVJDBIW-UHFFFAOYSA-N -1 3 351.414 3.280 20 0 FGADHM O=C(Nc1cc(C2CCCCCC2)[nH]n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738144964 599348009 /nfs/dbraw/zinc/34/80/09/599348009.db2.gz HVTRMNQLVJDBIW-UHFFFAOYSA-N -1 3 351.414 3.280 20 0 FGADHM COc1ccc(CN(C)c2ccc(Br)cc2-c2nnn[n-]2)cc1 ZINC000737090058 599362165 /nfs/dbraw/zinc/36/21/65/599362165.db2.gz AEGHOAVNVSTXFX-UHFFFAOYSA-N -1 3 374.242 3.274 20 0 FGADHM COc1ccc(CN(C)c2ccc(Br)cc2-c2nn[n-]n2)cc1 ZINC000737090058 599362167 /nfs/dbraw/zinc/36/21/67/599362167.db2.gz AEGHOAVNVSTXFX-UHFFFAOYSA-N -1 3 374.242 3.274 20 0 FGADHM C[C@H](Nc1ccc(O[C@@H]2CCOC2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820454967 599377668 /nfs/dbraw/zinc/37/76/68/599377668.db2.gz AAOADZPNZZEBHQ-SCLBCKFNSA-N -1 3 351.410 3.208 20 0 FGADHM C[C@H](Nc1ccc(O[C@@H]2CCOC2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820454967 599377671 /nfs/dbraw/zinc/37/76/71/599377671.db2.gz AAOADZPNZZEBHQ-SCLBCKFNSA-N -1 3 351.410 3.208 20 0 FGADHM c1cnc2cccc(OCc3nnc(-c4cccc(-c5nnn[n-]5)c4)o3)c2c1 ZINC000823738678 599383268 /nfs/dbraw/zinc/38/32/68/599383268.db2.gz YSPXNRZZZJPWQE-UHFFFAOYSA-N -1 3 371.360 3.044 20 0 FGADHM c1cnc2cccc(OCc3nnc(-c4cccc(-c5nn[n-]n5)c4)o3)c2c1 ZINC000823738678 599383271 /nfs/dbraw/zinc/38/32/71/599383271.db2.gz YSPXNRZZZJPWQE-UHFFFAOYSA-N -1 3 371.360 3.044 20 0 FGADHM Cc1cc(C)c(NC(=O)COc2c(C)cc(-c3nn[n-]n3)cc2C)c(C)c1 ZINC000822194354 599387429 /nfs/dbraw/zinc/38/74/29/599387429.db2.gz SXFHDRNATWGPJN-UHFFFAOYSA-N -1 3 365.437 3.426 20 0 FGADHM Fc1cc(-c2nnn[n-]2)ccc1COc1ccc(OC(F)(F)F)cc1 ZINC000822744631 599389333 /nfs/dbraw/zinc/38/93/33/599389333.db2.gz YOFQWMFHCFIIOI-UHFFFAOYSA-N -1 3 354.263 3.483 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1COc1ccc(OC(F)(F)F)cc1 ZINC000822744631 599389335 /nfs/dbraw/zinc/38/93/35/599389335.db2.gz YOFQWMFHCFIIOI-UHFFFAOYSA-N -1 3 354.263 3.483 20 0 FGADHM C[C@H](NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F)c1ccc(Cl)cc1 ZINC000820364758 599397972 /nfs/dbraw/zinc/39/79/72/599397972.db2.gz FBEUMCOBOVMFHO-JTQLQIEISA-N -1 3 374.807 3.220 20 0 FGADHM C[C@H](NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F)c1ccc(Cl)cc1 ZINC000820364758 599397975 /nfs/dbraw/zinc/39/79/75/599397975.db2.gz FBEUMCOBOVMFHO-JTQLQIEISA-N -1 3 374.807 3.220 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1CNc1cc(F)ccc1OC(F)F ZINC000821732519 607373773 /nfs/dbraw/zinc/37/37/73/607373773.db2.gz PEBCETPRYUIJFP-UHFFFAOYSA-N -1 3 365.315 3.228 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1CNc1cc(F)ccc1OC(F)F ZINC000821732519 607373776 /nfs/dbraw/zinc/37/37/76/607373776.db2.gz PEBCETPRYUIJFP-UHFFFAOYSA-N -1 3 365.315 3.228 20 0 FGADHM CC(C)Oc1ccc(NCc2cccc3nsnc32)cc1-c1nnn[n-]1 ZINC000820173864 607374049 /nfs/dbraw/zinc/37/40/49/607374049.db2.gz LVQQVTBARMQBTH-UHFFFAOYSA-N -1 3 367.438 3.271 20 0 FGADHM CC(C)Oc1ccc(NCc2cccc3nsnc32)cc1-c1nn[n-]n1 ZINC000820173864 607374050 /nfs/dbraw/zinc/37/40/50/607374050.db2.gz LVQQVTBARMQBTH-UHFFFAOYSA-N -1 3 367.438 3.271 20 0 FGADHM Clc1ccc(-c2nnn[n-]2)c(NCc2cnn(Cc3ccccc3)c2)c1 ZINC000737570639 599410346 /nfs/dbraw/zinc/41/03/46/599410346.db2.gz JJANRFIZLNJSCV-UHFFFAOYSA-N -1 3 365.828 3.377 20 0 FGADHM Clc1ccc(-c2nn[n-]n2)c(NCc2cnn(Cc3ccccc3)c2)c1 ZINC000737570639 599410351 /nfs/dbraw/zinc/41/03/51/599410351.db2.gz JJANRFIZLNJSCV-UHFFFAOYSA-N -1 3 365.828 3.377 20 0 FGADHM c1cc(-c2nnn[n-]2)oc1CNCc1ccc(OC2CCCCC2)cc1 ZINC000823756741 599424126 /nfs/dbraw/zinc/42/41/26/599424126.db2.gz GPIBREXKFYPOIX-UHFFFAOYSA-N -1 3 353.426 3.461 20 0 FGADHM Brc1ccc(C2(NCc3ccc(-c4nnn[n-]4)o3)CCC2)cc1 ZINC000819688653 599424349 /nfs/dbraw/zinc/42/43/49/599424349.db2.gz LNWQXVNVTRGZKD-UHFFFAOYSA-N -1 3 374.242 3.391 20 0 FGADHM Cc1ccnc(Nc2ccc(OCc3cccc(-c4nnn[n-]4)c3)cc2)n1 ZINC000737437919 599427092 /nfs/dbraw/zinc/42/70/92/599427092.db2.gz UHDNVQRANZULTI-UHFFFAOYSA-N -1 3 359.393 3.288 20 0 FGADHM Cc1ccnc(Nc2ccc(OCc3cccc(-c4nn[n-]n4)c3)cc2)n1 ZINC000737437919 599427094 /nfs/dbraw/zinc/42/70/94/599427094.db2.gz UHDNVQRANZULTI-UHFFFAOYSA-N -1 3 359.393 3.288 20 0 FGADHM CCCC[C@H]1CCC[C@@H]1NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000821042731 599434160 /nfs/dbraw/zinc/43/41/60/599434160.db2.gz GXWDBAHKOSFIDW-LRDDRELGSA-N -1 3 360.437 3.164 20 0 FGADHM CCCC[C@H]1CCC[C@@H]1NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000821042731 599434165 /nfs/dbraw/zinc/43/41/65/599434165.db2.gz GXWDBAHKOSFIDW-LRDDRELGSA-N -1 3 360.437 3.164 20 0 FGADHM Fc1ccc(CCNc2cc(-c3nnn[n-]3)c3ccccc3n2)c(F)c1 ZINC000737650671 599437013 /nfs/dbraw/zinc/43/70/13/599437013.db2.gz QSTGNBCBJQSTGJ-UHFFFAOYSA-N -1 3 352.348 3.348 20 0 FGADHM Fc1ccc(CCNc2cc(-c3nn[n-]n3)c3ccccc3n2)c(F)c1 ZINC000737650671 599437014 /nfs/dbraw/zinc/43/70/14/599437014.db2.gz QSTGNBCBJQSTGJ-UHFFFAOYSA-N -1 3 352.348 3.348 20 0 FGADHM CCC1CCC(CNC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000820972955 599443489 /nfs/dbraw/zinc/44/34/89/599443489.db2.gz SHCAYOXTYOWUGY-NFOMZHRRSA-N -1 3 356.474 3.443 20 0 FGADHM CCC1CCC(CNC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000820972955 599443492 /nfs/dbraw/zinc/44/34/92/599443492.db2.gz SHCAYOXTYOWUGY-NFOMZHRRSA-N -1 3 356.474 3.443 20 0 FGADHM CCC1CCC(CNC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)CC1 ZINC000820971799 599443509 /nfs/dbraw/zinc/44/35/09/599443509.db2.gz GDJFWZLHCAGXJL-UHFFFAOYSA-N -1 3 360.437 3.021 20 0 FGADHM CCC1CCC(CNC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)CC1 ZINC000820971799 599443510 /nfs/dbraw/zinc/44/35/10/599443510.db2.gz GDJFWZLHCAGXJL-UHFFFAOYSA-N -1 3 360.437 3.021 20 0 FGADHM FC(F)(F)Cc1ccc(NCc2cnc3ccc(-c4nnn[n-]4)cn23)cc1 ZINC000822718931 599446807 /nfs/dbraw/zinc/44/68/07/599446807.db2.gz VQSSZDRHHIHZTN-UHFFFAOYSA-N -1 3 373.342 3.231 20 0 FGADHM FC(F)(F)Cc1ccc(NCc2cnc3ccc(-c4nn[n-]n4)cn23)cc1 ZINC000822718931 599446810 /nfs/dbraw/zinc/44/68/10/599446810.db2.gz VQSSZDRHHIHZTN-UHFFFAOYSA-N -1 3 373.342 3.231 20 0 FGADHM C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1sccc1-c1nnn[n-]1 ZINC000736238266 599470420 /nfs/dbraw/zinc/47/04/20/599470420.db2.gz YLHNZGOALMCGCC-CMPLNLGQSA-N -1 3 357.414 3.086 20 0 FGADHM C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1sccc1-c1nn[n-]n1 ZINC000736238266 599470421 /nfs/dbraw/zinc/47/04/21/599470421.db2.gz YLHNZGOALMCGCC-CMPLNLGQSA-N -1 3 357.414 3.086 20 0 FGADHM C[C@@H](NC(=O)N(C)[C@@H](C)c1ccc(F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820340304 599477422 /nfs/dbraw/zinc/47/74/22/599477422.db2.gz JSOINJHKFGQFAC-OLZOCXBDSA-N -1 3 368.416 3.469 20 0 FGADHM C[C@@H](NC(=O)N(C)[C@@H](C)c1ccc(F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820340304 599477425 /nfs/dbraw/zinc/47/74/25/599477425.db2.gz JSOINJHKFGQFAC-OLZOCXBDSA-N -1 3 368.416 3.469 20 0 FGADHM CCN(C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1)[C@H](C)c1cccnc1 ZINC000821154048 599481312 /nfs/dbraw/zinc/48/13/12/599481312.db2.gz HXXKZWQUAVESAH-ZIAGYGMSSA-N -1 3 365.441 3.115 20 0 FGADHM CCN(C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1)[C@H](C)c1cccnc1 ZINC000821154048 599481314 /nfs/dbraw/zinc/48/13/14/599481314.db2.gz HXXKZWQUAVESAH-ZIAGYGMSSA-N -1 3 365.441 3.115 20 0 FGADHM O=C(NC1CC1)c1cccc(CNc2c(Cl)cccc2-c2nnn[n-]2)c1 ZINC000823144339 599481864 /nfs/dbraw/zinc/48/18/64/599481864.db2.gz FCAFMIFLWKLYKU-UHFFFAOYSA-N -1 3 368.828 3.024 20 0 FGADHM O=C(NC1CC1)c1cccc(CNc2c(Cl)cccc2-c2nn[n-]n2)c1 ZINC000823144339 599481866 /nfs/dbraw/zinc/48/18/66/599481866.db2.gz FCAFMIFLWKLYKU-UHFFFAOYSA-N -1 3 368.828 3.024 20 0 FGADHM C[C@H](NC(=O)N[C@@H]1CC[C@H]2CCC[C@@H]2C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820357508 599485711 /nfs/dbraw/zinc/48/57/11/599485711.db2.gz HKFQRXMKTWJFDC-TZDHZFECSA-N -1 3 354.458 3.196 20 0 FGADHM C[C@H](NC(=O)N[C@@H]1CC[C@H]2CCC[C@@H]2C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820357508 599485713 /nfs/dbraw/zinc/48/57/13/599485713.db2.gz HKFQRXMKTWJFDC-TZDHZFECSA-N -1 3 354.458 3.196 20 0 FGADHM Fc1ccc(N2CC[C@H](CNc3ccc(F)cc3-c3nnn[n-]3)C2)cc1 ZINC000822778150 599493126 /nfs/dbraw/zinc/49/31/26/599493126.db2.gz DQAQBJCMQOTVTN-GFCCVEGCSA-N -1 3 356.380 3.083 20 0 FGADHM Fc1ccc(N2CC[C@H](CNc3ccc(F)cc3-c3nn[n-]n3)C2)cc1 ZINC000822778150 599493129 /nfs/dbraw/zinc/49/31/29/599493129.db2.gz DQAQBJCMQOTVTN-GFCCVEGCSA-N -1 3 356.380 3.083 20 0 FGADHM CCO[C@@H]1CCCN(c2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)C1 ZINC000821367401 599494983 /nfs/dbraw/zinc/49/49/83/599494983.db2.gz INYNUTCYJLNIQG-GFCCVEGCSA-N -1 3 358.833 3.074 20 0 FGADHM CCO[C@@H]1CCCN(c2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)C1 ZINC000821367401 599494986 /nfs/dbraw/zinc/49/49/86/599494986.db2.gz INYNUTCYJLNIQG-GFCCVEGCSA-N -1 3 358.833 3.074 20 0 FGADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H]1CC=CCC1 ZINC000735830998 599505154 /nfs/dbraw/zinc/50/51/54/599505154.db2.gz LCNSDDQTKFRUJN-KRWDZBQOSA-N -1 3 354.458 3.143 20 0 FGADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H]1CC=CCC1 ZINC000735830998 599505156 /nfs/dbraw/zinc/50/51/56/599505156.db2.gz LCNSDDQTKFRUJN-KRWDZBQOSA-N -1 3 354.458 3.143 20 0 FGADHM C[C@H](CC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1F ZINC000820226043 599510571 /nfs/dbraw/zinc/51/05/71/599510571.db2.gz STEYJFMUPJOJNM-OLZOCXBDSA-N -1 3 353.401 3.377 20 0 FGADHM C[C@H](CC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1F ZINC000820226043 599510572 /nfs/dbraw/zinc/51/05/72/599510572.db2.gz STEYJFMUPJOJNM-OLZOCXBDSA-N -1 3 353.401 3.377 20 0 FGADHM C[C@H](NC(=O)c1cc(Cl)c(Cl)n1C)c1cccc(-c2nnn[n-]2)c1 ZINC000820391152 599511504 /nfs/dbraw/zinc/51/15/04/599511504.db2.gz NVOOHNDGESBGQJ-QMMMGPOBSA-N -1 3 365.224 3.003 20 0 FGADHM C[C@H](NC(=O)c1cc(Cl)c(Cl)n1C)c1cccc(-c2nn[n-]n2)c1 ZINC000820391152 599511506 /nfs/dbraw/zinc/51/15/06/599511506.db2.gz NVOOHNDGESBGQJ-QMMMGPOBSA-N -1 3 365.224 3.003 20 0 FGADHM C[C@H](NC(=O)Cc1ccc2c(c1)CCCC2)c1cccc(-c2nnn[n-]2)c1 ZINC000820333418 599511529 /nfs/dbraw/zinc/51/15/29/599511529.db2.gz BAZBBVKWEAWDEO-AWEZNQCLSA-N -1 3 361.449 3.165 20 0 FGADHM C[C@H](NC(=O)Cc1ccc2c(c1)CCCC2)c1cccc(-c2nn[n-]n2)c1 ZINC000820333418 599511530 /nfs/dbraw/zinc/51/15/30/599511530.db2.gz BAZBBVKWEAWDEO-AWEZNQCLSA-N -1 3 361.449 3.165 20 0 FGADHM C[C@H](NC(=O)[C@@H]1C[C@H]1c1c(F)cccc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000820320949 599513546 /nfs/dbraw/zinc/51/35/46/599513546.db2.gz AFKBVBWIACHQMY-ZLKJLUDKSA-N -1 3 369.375 3.126 20 0 FGADHM C[C@H](NC(=O)[C@@H]1C[C@H]1c1c(F)cccc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000820320949 599513547 /nfs/dbraw/zinc/51/35/47/599513547.db2.gz AFKBVBWIACHQMY-ZLKJLUDKSA-N -1 3 369.375 3.126 20 0 FGADHM Cc1cc2[nH]c(C(=O)N[C@@H](C)c3cccc(-c4nnn[n-]4)c3)cc2c(C)c1 ZINC000822195297 599527009 /nfs/dbraw/zinc/52/70/09/599527009.db2.gz NSIOEHMCRLUEPS-ZDUSSCGKSA-N -1 3 360.421 3.456 20 0 FGADHM Cc1cc2[nH]c(C(=O)N[C@@H](C)c3cccc(-c4nn[n-]n4)c3)cc2c(C)c1 ZINC000822195297 599527012 /nfs/dbraw/zinc/52/70/12/599527012.db2.gz NSIOEHMCRLUEPS-ZDUSSCGKSA-N -1 3 360.421 3.456 20 0 FGADHM Cc1ccc(SCC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822267083 599532427 /nfs/dbraw/zinc/53/24/27/599532427.db2.gz OCLXNJDKTBMHBW-CYBMUJFWSA-N -1 3 353.451 3.145 20 0 FGADHM Cc1ccc(SCC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822267083 599532429 /nfs/dbraw/zinc/53/24/29/599532429.db2.gz OCLXNJDKTBMHBW-CYBMUJFWSA-N -1 3 353.451 3.145 20 0 FGADHM CC[C@@H](c1ccncc1)N(C)C(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000736396467 599536625 /nfs/dbraw/zinc/53/66/25/599536625.db2.gz NHXXLCDPUONSJZ-HNNXBMFYSA-N -1 3 353.455 3.042 20 0 FGADHM CC[C@@H](c1ccncc1)N(C)C(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000736396467 599536627 /nfs/dbraw/zinc/53/66/27/599536627.db2.gz NHXXLCDPUONSJZ-HNNXBMFYSA-N -1 3 353.455 3.042 20 0 FGADHM COc1ccccc1[C@@H]1CCN(c2c(F)cc(-c3nnn[n-]3)cc2F)C1 ZINC000737145024 599537542 /nfs/dbraw/zinc/53/75/42/599537542.db2.gz APKFBCDNNITURU-LLVKDONJSA-N -1 3 357.364 3.147 20 0 FGADHM COc1ccccc1[C@@H]1CCN(c2c(F)cc(-c3nn[n-]n3)cc2F)C1 ZINC000737145024 599537544 /nfs/dbraw/zinc/53/75/44/599537544.db2.gz APKFBCDNNITURU-LLVKDONJSA-N -1 3 357.364 3.147 20 0 FGADHM COc1ccc(C(C)(C)CNc2ccc(F)cc2-c2nnn[n-]2)cc1OC ZINC000821772612 599542251 /nfs/dbraw/zinc/54/22/51/599542251.db2.gz IAKQNIZYSQLKKB-UHFFFAOYSA-N -1 3 371.416 3.413 20 0 FGADHM COc1ccc(C(C)(C)CNc2ccc(F)cc2-c2nn[n-]n2)cc1OC ZINC000821772612 599542252 /nfs/dbraw/zinc/54/22/52/599542252.db2.gz IAKQNIZYSQLKKB-UHFFFAOYSA-N -1 3 371.416 3.413 20 0 FGADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N[C@@H]1CCc2ccc(F)cc21 ZINC000822335327 599543116 /nfs/dbraw/zinc/54/31/16/599543116.db2.gz JUYBRODMNZUFDR-QGZVFWFLSA-N -1 3 360.396 3.384 20 0 FGADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N[C@@H]1CCc2ccc(F)cc21 ZINC000822335327 599543117 /nfs/dbraw/zinc/54/31/17/599543117.db2.gz JUYBRODMNZUFDR-QGZVFWFLSA-N -1 3 360.396 3.384 20 0 FGADHM C[C@@H](NC(=O)COc1cccc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820327721 599544609 /nfs/dbraw/zinc/54/46/09/599544609.db2.gz IWURRVKALIOURM-CQSZACIVSA-N -1 3 373.416 3.276 20 0 FGADHM C[C@@H](NC(=O)COc1cccc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820327721 599544611 /nfs/dbraw/zinc/54/46/11/599544611.db2.gz IWURRVKALIOURM-CQSZACIVSA-N -1 3 373.416 3.276 20 0 FGADHM CCN(C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1)C1CCC1 ZINC000736508801 599547971 /nfs/dbraw/zinc/54/79/71/599547971.db2.gz NJNOGDMGOZKTRT-UHFFFAOYSA-N -1 3 364.409 3.069 20 0 FGADHM CCN(C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1)C1CCC1 ZINC000736508801 599547973 /nfs/dbraw/zinc/54/79/73/599547973.db2.gz NJNOGDMGOZKTRT-UHFFFAOYSA-N -1 3 364.409 3.069 20 0 FGADHM CC[C@@H](C)[C@@H]1CCCCN1C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736326662 599548226 /nfs/dbraw/zinc/54/82/26/599548226.db2.gz CGCMMDCRXKHXPN-CJNGLKHVSA-N -1 3 359.499 3.386 20 0 FGADHM CC[C@@H](C)[C@@H]1CCCCN1C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736326662 599548227 /nfs/dbraw/zinc/54/82/27/599548227.db2.gz CGCMMDCRXKHXPN-CJNGLKHVSA-N -1 3 359.499 3.386 20 0 FGADHM CSC(C)(C)CNC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000821950769 599548882 /nfs/dbraw/zinc/54/88/82/599548882.db2.gz QIIDQIDOEAWCFI-UHFFFAOYSA-N -1 3 367.478 3.405 20 0 FGADHM CSC(C)(C)CNC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000821950769 599548883 /nfs/dbraw/zinc/54/88/83/599548883.db2.gz QIIDQIDOEAWCFI-UHFFFAOYSA-N -1 3 367.478 3.405 20 0 FGADHM Cc1ccc([C@H]2CCCCCN2C(=O)Cc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000737329585 599560907 /nfs/dbraw/zinc/56/09/07/599560907.db2.gz KOQXBWLKQYWTIX-QGZVFWFLSA-N -1 3 365.437 3.455 20 0 FGADHM Cc1ccc([C@H]2CCCCCN2C(=O)Cc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000737329585 599560908 /nfs/dbraw/zinc/56/09/08/599560908.db2.gz KOQXBWLKQYWTIX-QGZVFWFLSA-N -1 3 365.437 3.455 20 0 FGADHM CS[C@@H]1CCC[C@@H](Nc2c(-c3nnn[n-]3)cnc3c(C)cc(F)cc32)C1 ZINC000821950720 599562518 /nfs/dbraw/zinc/56/25/18/599562518.db2.gz QBCPXQWAPZIKCE-CHWSQXEVSA-N -1 3 372.473 3.370 20 0 FGADHM CS[C@@H]1CCC[C@@H](Nc2c(-c3nn[n-]n3)cnc3c(C)cc(F)cc32)C1 ZINC000821950720 599562520 /nfs/dbraw/zinc/56/25/20/599562520.db2.gz QBCPXQWAPZIKCE-CHWSQXEVSA-N -1 3 372.473 3.370 20 0 FGADHM O=C(c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1)N1C2CCC1CC2 ZINC000738274759 599563969 /nfs/dbraw/zinc/56/39/69/599563969.db2.gz YIWGUFPXHUIFPH-UHFFFAOYSA-N -1 3 360.421 3.377 20 0 FGADHM CCn1nccc1NC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736731242 599566967 /nfs/dbraw/zinc/56/69/67/599566967.db2.gz MCNZQGHDCPIYFP-UHFFFAOYSA-N -1 3 374.408 3.079 20 0 FGADHM c1oc(-c2ccccc2)nc1CNc1c(-c2nnn[n-]2)cnc2ccccc21 ZINC000823767927 599586481 /nfs/dbraw/zinc/58/64/81/599586481.db2.gz ZWMUXZKIQJRBPF-UHFFFAOYSA-N -1 3 369.388 3.104 20 0 FGADHM c1oc(-c2ccccc2)nc1CNc1c(-c2nn[n-]n2)cnc2ccccc21 ZINC000823767927 599586483 /nfs/dbraw/zinc/58/64/83/599586483.db2.gz ZWMUXZKIQJRBPF-UHFFFAOYSA-N -1 3 369.388 3.104 20 0 FGADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1F)c1coc(-c2ccccc2)n1 ZINC000738230520 599609590 /nfs/dbraw/zinc/60/95/90/599609590.db2.gz FWXDSVYEXFUKEM-UHFFFAOYSA-N -1 3 365.324 3.018 20 0 FGADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1F)c1coc(-c2ccccc2)n1 ZINC000738230520 599609593 /nfs/dbraw/zinc/60/95/93/599609593.db2.gz FWXDSVYEXFUKEM-UHFFFAOYSA-N -1 3 365.324 3.018 20 0 FGADHM C[C@H](Cc1ccccc1F)C(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000736056634 599617454 /nfs/dbraw/zinc/61/74/54/599617454.db2.gz BXOCQHZHNPBMDD-CHWSQXEVSA-N -1 3 354.385 3.489 20 0 FGADHM C[C@H](Cc1ccccc1F)C(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000736056634 599617456 /nfs/dbraw/zinc/61/74/56/599617456.db2.gz BXOCQHZHNPBMDD-CHWSQXEVSA-N -1 3 354.385 3.489 20 0 FGADHM C[C@@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)[C@H](C)c1cccs1 ZINC000736038572 599617828 /nfs/dbraw/zinc/61/78/28/599617828.db2.gz WABUJCGAWPHXDR-NWDGAFQWSA-N -1 3 358.423 3.042 20 0 FGADHM C[C@@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)[C@H](C)c1cccs1 ZINC000736038572 599617829 /nfs/dbraw/zinc/61/78/29/599617829.db2.gz WABUJCGAWPHXDR-NWDGAFQWSA-N -1 3 358.423 3.042 20 0 FGADHM CCCOc1ccc(CCC(=O)OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000821133554 599620734 /nfs/dbraw/zinc/62/07/34/599620734.db2.gz AQEYFTURFPYHRC-UHFFFAOYSA-N -1 3 366.421 3.332 20 0 FGADHM CCCOc1ccc(CCC(=O)OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000821133554 599620735 /nfs/dbraw/zinc/62/07/35/599620735.db2.gz AQEYFTURFPYHRC-UHFFFAOYSA-N -1 3 366.421 3.332 20 0 FGADHM CCC(C)(C)COC(=O)CCCOc1ccc(-c2nnn[n-]2)cc1OC ZINC000820847376 599627948 /nfs/dbraw/zinc/62/79/48/599627948.db2.gz CJSPGVLREPHVCP-UHFFFAOYSA-N -1 3 362.430 3.014 20 0 FGADHM CCC(C)(C)COC(=O)CCCOc1ccc(-c2nn[n-]n2)cc1OC ZINC000820847376 599627949 /nfs/dbraw/zinc/62/79/49/599627949.db2.gz CJSPGVLREPHVCP-UHFFFAOYSA-N -1 3 362.430 3.014 20 0 FGADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1)c1cc(OCc2ccccc2)ccn1 ZINC000823444861 599628246 /nfs/dbraw/zinc/62/82/46/599628246.db2.gz PJLPYHKPCSFZNV-UHFFFAOYSA-N -1 3 373.372 3.060 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccc(Cl)nc1 ZINC000823303001 599632382 /nfs/dbraw/zinc/63/23/82/599632382.db2.gz BZGPGVQFKXTWOQ-UHFFFAOYSA-N -1 3 368.706 3.186 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccc(Cl)nc1 ZINC000823303001 599632383 /nfs/dbraw/zinc/63/23/83/599632383.db2.gz BZGPGVQFKXTWOQ-UHFFFAOYSA-N -1 3 368.706 3.186 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1cccc(F)c1 ZINC000823303885 599632550 /nfs/dbraw/zinc/63/25/50/599632550.db2.gz XRTMYKAMFWCYFW-UHFFFAOYSA-N -1 3 351.263 3.277 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1cccc(F)c1 ZINC000823303885 599632551 /nfs/dbraw/zinc/63/25/51/599632551.db2.gz XRTMYKAMFWCYFW-UHFFFAOYSA-N -1 3 351.263 3.277 20 0 FGADHM C[C@]1(C(=O)OCc2ccc(-c3nnn[n-]3)cc2F)CCc2ccccc2C1 ZINC000820577836 599671165 /nfs/dbraw/zinc/67/11/65/599671165.db2.gz WAGAJWBUIVFMOP-FQEVSTJZSA-N -1 3 366.396 3.244 20 0 FGADHM C[C@]1(C(=O)OCc2ccc(-c3nn[n-]n3)cc2F)CCc2ccccc2C1 ZINC000820577836 599671166 /nfs/dbraw/zinc/67/11/66/599671166.db2.gz WAGAJWBUIVFMOP-FQEVSTJZSA-N -1 3 366.396 3.244 20 0 FGADHM CC(C)[C@@H]1CCCC[C@@H]1NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000820038098 599673676 /nfs/dbraw/zinc/67/36/76/599673676.db2.gz KPIPUCAUOKATBG-HOCLYGCPSA-N -1 3 360.437 3.020 20 0 FGADHM CC(C)[C@@H]1CCCC[C@@H]1NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000820038098 599673677 /nfs/dbraw/zinc/67/36/77/599673677.db2.gz KPIPUCAUOKATBG-HOCLYGCPSA-N -1 3 360.437 3.020 20 0 FGADHM Cc1c(F)cccc1NCC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000822034444 599691591 /nfs/dbraw/zinc/69/15/91/599691591.db2.gz DALOWKSCEQKTSH-UHFFFAOYSA-N -1 3 360.780 3.018 20 0 FGADHM Cc1c(F)cccc1NCC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000822034444 599691592 /nfs/dbraw/zinc/69/15/92/599691592.db2.gz DALOWKSCEQKTSH-UHFFFAOYSA-N -1 3 360.780 3.018 20 0 FGADHM C[C@@H](Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000820455888 599694169 /nfs/dbraw/zinc/69/41/69/599694169.db2.gz OEOYVPKZXHGKSG-CQSZACIVSA-N -1 3 364.453 3.001 20 0 FGADHM C[C@@H](Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000820455888 599694170 /nfs/dbraw/zinc/69/41/70/599694170.db2.gz OEOYVPKZXHGKSG-CQSZACIVSA-N -1 3 364.453 3.001 20 0 FGADHM O=C(Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1)C1=CCCCO1 ZINC000823355894 599698136 /nfs/dbraw/zinc/69/81/36/599698136.db2.gz FMHIBGHZOCTDMK-UHFFFAOYSA-N -1 3 363.377 3.292 20 0 FGADHM O=C(Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1)C1=CCCCO1 ZINC000823355894 599698137 /nfs/dbraw/zinc/69/81/37/599698137.db2.gz FMHIBGHZOCTDMK-UHFFFAOYSA-N -1 3 363.377 3.292 20 0 FGADHM CCCCC[C@H](O)CC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC000821048693 599698379 /nfs/dbraw/zinc/69/83/79/599698379.db2.gz FZTHSPWUDRJFDW-SFHVURJKSA-N -1 3 373.501 3.183 20 0 FGADHM CCCCC[C@H](O)CC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC000821048693 599698380 /nfs/dbraw/zinc/69/83/80/599698380.db2.gz FZTHSPWUDRJFDW-SFHVURJKSA-N -1 3 373.501 3.183 20 0 FGADHM CN(C)[C@@H](CNC(=O)Nc1ccc(F)c(NC(=O)[O-])c1)c1ccccc1 ZINC000737357518 599715885 /nfs/dbraw/zinc/71/58/85/599715885.db2.gz BZFIQKNHXOLQDP-INIZCTEOSA-N -1 3 360.389 3.340 20 0 FGADHM CN(C(=O)OC(C)(C)C)[C@H]1CCCN([C@H](C(=O)[O-])c2ccc(F)cc2)C1 ZINC000737336238 599720722 /nfs/dbraw/zinc/72/07/22/599720722.db2.gz NVKYCDDJNQTEIT-HOTGVXAUSA-N -1 3 366.433 3.283 20 0 FGADHM CCOc1ccccc1NC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000825653676 607390589 /nfs/dbraw/zinc/39/05/89/607390589.db2.gz HTFCRGSLULZGCI-UHFFFAOYSA-N -1 3 364.409 3.076 20 0 FGADHM CCOc1ccccc1NC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000825653676 607390590 /nfs/dbraw/zinc/39/05/90/607390590.db2.gz HTFCRGSLULZGCI-UHFFFAOYSA-N -1 3 364.409 3.076 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)[C@H]1C[C@H]1c1sccc1C ZINC000826184277 607390721 /nfs/dbraw/zinc/39/07/21/607390721.db2.gz QZBQLZLYBAJAOS-KGLIPLIRSA-N -1 3 370.434 3.092 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)[C@H]1C[C@H]1c1sccc1C ZINC000826184277 607390723 /nfs/dbraw/zinc/39/07/23/607390723.db2.gz QZBQLZLYBAJAOS-KGLIPLIRSA-N -1 3 370.434 3.092 20 0 FGADHM Cc1ccc(NC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)c(F)c1 ZINC000826291068 607391119 /nfs/dbraw/zinc/39/11/19/607391119.db2.gz NNUVKVYNSMZWSO-UHFFFAOYSA-N -1 3 352.373 3.125 20 0 FGADHM Cc1ccc(NC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)c(F)c1 ZINC000826291068 607391120 /nfs/dbraw/zinc/39/11/20/607391120.db2.gz NNUVKVYNSMZWSO-UHFFFAOYSA-N -1 3 352.373 3.125 20 0 FGADHM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000826316707 607391902 /nfs/dbraw/zinc/39/19/02/607391902.db2.gz WIXONKBHEAMWMB-KGLIPLIRSA-N -1 3 358.398 3.223 20 0 FGADHM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000826316707 607391904 /nfs/dbraw/zinc/39/19/04/607391904.db2.gz WIXONKBHEAMWMB-KGLIPLIRSA-N -1 3 358.398 3.223 20 0 FGADHM CC(C)Oc1ccc(NC(=O)CO[C@@H]2CCCC[C@H]2C)cc1-c1nnn[n-]1 ZINC000820160053 607401592 /nfs/dbraw/zinc/40/15/92/607401592.db2.gz FHSHHAAFRDXCSR-CZUORRHYSA-N -1 3 373.457 3.188 20 0 FGADHM CC(C)Oc1ccc(NC(=O)CO[C@@H]2CCCC[C@H]2C)cc1-c1nn[n-]n1 ZINC000820160053 607401594 /nfs/dbraw/zinc/40/15/94/607401594.db2.gz FHSHHAAFRDXCSR-CZUORRHYSA-N -1 3 373.457 3.188 20 0 FGADHM Cc1nn(-c2ccc(Cl)cc2)c(C)c1CN[C@@H]1CCCN(C(=O)[O-])C1 ZINC000738896613 599860204 /nfs/dbraw/zinc/86/02/04/599860204.db2.gz QZWXKXLPNTWDJY-OAHLLOKOSA-N -1 3 362.861 3.375 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)O[C@@H](C1CCCC1)C(F)(F)F ZINC000826251129 607402494 /nfs/dbraw/zinc/40/24/94/607402494.db2.gz GDHWATRYHHGUOZ-ZDUSSCGKSA-N -1 3 354.332 3.453 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)O[C@@H](C1CCCC1)C(F)(F)F ZINC000826251129 607402495 /nfs/dbraw/zinc/40/24/95/607402495.db2.gz GDHWATRYHHGUOZ-ZDUSSCGKSA-N -1 3 354.332 3.453 20 0 FGADHM COCCC1(C(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)CCCC1 ZINC000821686607 607402610 /nfs/dbraw/zinc/40/26/10/607402610.db2.gz YBWWDNGKHRKYRZ-UHFFFAOYSA-N -1 3 373.457 3.189 20 0 FGADHM COCCC1(C(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)CCCC1 ZINC000821686607 607402611 /nfs/dbraw/zinc/40/26/11/607402611.db2.gz YBWWDNGKHRKYRZ-UHFFFAOYSA-N -1 3 373.457 3.189 20 0 FGADHM CN1CCC(N(Cc2ccco2)C(=O)c2cccc(NC(=O)[O-])c2)CC1 ZINC000737514557 599901589 /nfs/dbraw/zinc/90/15/89/599901589.db2.gz KRYFVWREOUHTSJ-UHFFFAOYSA-N -1 3 357.410 3.106 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)c1coc(-c2ccccc2)n1 ZINC000826254645 607407541 /nfs/dbraw/zinc/40/75/41/607407541.db2.gz VJRCIJRXCGGFDX-UHFFFAOYSA-N -1 3 361.361 3.187 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)c1coc(-c2ccccc2)n1 ZINC000826254645 607407542 /nfs/dbraw/zinc/40/75/42/607407542.db2.gz VJRCIJRXCGGFDX-UHFFFAOYSA-N -1 3 361.361 3.187 20 0 FGADHM COc1cc(-c2nc(CN(CCC(=O)[O-])CC(C)C)cs2)ccc1O ZINC000737846439 600004544 /nfs/dbraw/zinc/00/45/44/600004544.db2.gz ZONZOMAPVSDWIG-UHFFFAOYSA-N -1 3 364.467 3.457 20 0 FGADHM Cc1cc(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)ccc1C(=O)[O-] ZINC000381718602 600017378 /nfs/dbraw/zinc/01/73/78/600017378.db2.gz KSTJIQXQZNDCHR-QGZVFWFLSA-N -1 3 353.422 3.089 20 0 FGADHM O=C([O-])c1ccc(CCC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC000739256604 600063254 /nfs/dbraw/zinc/06/32/54/600063254.db2.gz PIXIJEJIBQEMMX-HXUWFJFHSA-N -1 3 366.461 3.098 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)C=C(C)c1cccc(F)c1 ZINC000821741531 607416947 /nfs/dbraw/zinc/41/69/47/607416947.db2.gz NNYODTARJCUFSX-WQLSENKSSA-N -1 3 368.368 3.161 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)C=C(C)c1cccc(F)c1 ZINC000821741531 607416948 /nfs/dbraw/zinc/41/69/48/607416948.db2.gz NNYODTARJCUFSX-WQLSENKSSA-N -1 3 368.368 3.161 20 0 FGADHM C[C@H](NC(=O)OC(C)(C)C)C1CCN(Cc2ccoc2C(=O)[O-])CC1 ZINC000736649512 600092352 /nfs/dbraw/zinc/09/23/52/600092352.db2.gz HUILTCAEFUCYGP-LBPRGKRZSA-N -1 3 352.431 3.103 20 0 FGADHM Cc1sc(NC(=O)CCc2ccc(F)cc2F)c(-c2nnn[n-]2)c1C ZINC000826349253 607783329 /nfs/dbraw/zinc/78/33/29/607783329.db2.gz AXOOAODOCGJSIE-UHFFFAOYSA-N -1 3 363.393 3.395 20 0 FGADHM Cc1sc(NC(=O)CCc2ccc(F)cc2F)c(-c2nn[n-]n2)c1C ZINC000826349253 607783330 /nfs/dbraw/zinc/78/33/30/607783330.db2.gz AXOOAODOCGJSIE-UHFFFAOYSA-N -1 3 363.393 3.395 20 0 FGADHM Cc1cc(C(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)c(C)n1C(C)C ZINC000826258302 607423935 /nfs/dbraw/zinc/42/39/35/607423935.db2.gz GTSBRBMYLNSYHS-UHFFFAOYSA-N -1 3 364.453 3.285 20 0 FGADHM Cc1cc(C(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)c(C)n1C(C)C ZINC000826258302 607423937 /nfs/dbraw/zinc/42/39/37/607423937.db2.gz GTSBRBMYLNSYHS-UHFFFAOYSA-N -1 3 364.453 3.285 20 0 FGADHM O=C([O-])c1cc(Cl)cc(NC(=O)[C@H]2CCCN(Cc3cccnc3)C2)c1 ZINC000740074549 600202165 /nfs/dbraw/zinc/20/21/65/600202165.db2.gz QCDKCYOEEMWSMA-AWEZNQCLSA-N -1 3 373.840 3.284 20 0 FGADHM CCCN(CC1CC1)C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000821094077 607430269 /nfs/dbraw/zinc/43/02/69/607430269.db2.gz CPVLNZAYTYPAOP-UHFFFAOYSA-N -1 3 358.446 3.308 20 0 FGADHM CCCN(CC1CC1)C(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000821094077 607430270 /nfs/dbraw/zinc/43/02/70/607430270.db2.gz CPVLNZAYTYPAOP-UHFFFAOYSA-N -1 3 358.446 3.308 20 0 FGADHM Cc1cc(F)c2c(c1)CCCN2C(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000826268176 607430754 /nfs/dbraw/zinc/43/07/54/607430754.db2.gz NENRWDYJLWUCJH-UHFFFAOYSA-N -1 3 351.385 3.216 20 0 FGADHM Cc1cc(F)c2c(c1)CCCN2C(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000826268176 607430757 /nfs/dbraw/zinc/43/07/57/607430757.db2.gz NENRWDYJLWUCJH-UHFFFAOYSA-N -1 3 351.385 3.216 20 0 FGADHM COc1ccc([C@H](NCc2cc(Br)cs2)C(=O)[O-])cc1 ZINC000737968674 600262091 /nfs/dbraw/zinc/26/20/91/600262091.db2.gz CRVBKHFGBSOLON-ZDUSSCGKSA-N -1 3 356.241 3.435 20 0 FGADHM Cc1ccc(C(=O)CCC(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000826281557 607434466 /nfs/dbraw/zinc/43/44/66/607434466.db2.gz ZAYGSCMDNZETPC-UHFFFAOYSA-N -1 3 363.421 3.109 20 0 FGADHM Cc1ccc(C(=O)CCC(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000826281557 607434468 /nfs/dbraw/zinc/43/44/68/607434468.db2.gz ZAYGSCMDNZETPC-UHFFFAOYSA-N -1 3 363.421 3.109 20 0 FGADHM O=C([O-])CCN(Cc1ccc(F)c(F)c1)C[C@@H](O)c1ccc(F)cc1F ZINC000739720446 600327239 /nfs/dbraw/zinc/32/72/39/600327239.db2.gz YESDWGPLRYMSII-QGZVFWFLSA-N -1 3 371.330 3.253 20 0 FGADHM O=C([O-])Nc1ccc(CNC(=O)CN2CCCC3(CCCCC3)C2)cc1 ZINC000740024200 600338380 /nfs/dbraw/zinc/33/83/80/600338380.db2.gz AVPHIPMVTCLZHY-UHFFFAOYSA-N -1 3 359.470 3.439 20 0 FGADHM CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825154449 607439635 /nfs/dbraw/zinc/43/96/35/607439635.db2.gz PFWDLGRGWBABHI-COXVUDFISA-N -1 3 357.458 3.203 20 0 FGADHM CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825154449 607439636 /nfs/dbraw/zinc/43/96/36/607439636.db2.gz PFWDLGRGWBABHI-COXVUDFISA-N -1 3 357.458 3.203 20 0 FGADHM CN(C(=O)Cc1ccccc1C(F)(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000825820641 607440537 /nfs/dbraw/zinc/44/05/37/607440537.db2.gz NMQVKVAEMIEWGN-UHFFFAOYSA-N -1 3 361.327 3.091 20 0 FGADHM CN(C(=O)Cc1ccccc1C(F)(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000825820641 607440539 /nfs/dbraw/zinc/44/05/39/607440539.db2.gz NMQVKVAEMIEWGN-UHFFFAOYSA-N -1 3 361.327 3.091 20 0 FGADHM Cc1cc(OC(F)F)c(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000826271912 607440802 /nfs/dbraw/zinc/44/08/02/607440802.db2.gz MRUIKCBRRXTYLN-UHFFFAOYSA-N -1 3 365.365 3.115 20 0 FGADHM Cc1cc(OC(F)F)c(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000826271912 607440804 /nfs/dbraw/zinc/44/08/04/607440804.db2.gz MRUIKCBRRXTYLN-UHFFFAOYSA-N -1 3 365.365 3.115 20 0 FGADHM COc1cccc([C@@H](C)N2CCN([C@@H](C(=O)[O-])c3ccccc3)CC2)c1 ZINC000738092140 600406243 /nfs/dbraw/zinc/40/62/43/600406243.db2.gz NRHVQFISTBJEMF-OXQOHEQNSA-N -1 3 354.450 3.200 20 0 FGADHM CCS[C@@H]1CCCCN(CC(=O)NCc2ccc(NC(=O)[O-])cc2)C1 ZINC000737230826 600434150 /nfs/dbraw/zinc/43/41/50/600434150.db2.gz DNRFOKYBUBVXEQ-MRXNPFEDSA-N -1 3 365.499 3.000 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1c2ccccc2SC[C@H]1C ZINC000826245724 607444157 /nfs/dbraw/zinc/44/41/57/607444157.db2.gz GEFBNEGLHPUCGF-GFCCVEGCSA-N -1 3 351.435 3.316 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1c2ccccc2SC[C@H]1C ZINC000826245724 607444159 /nfs/dbraw/zinc/44/41/59/607444159.db2.gz GEFBNEGLHPUCGF-GFCCVEGCSA-N -1 3 351.435 3.316 20 0 FGADHM C[C@@H](CN(CC[S@](=O)c1cc(Cl)ccc1Cl)C1CC1)C(=O)[O-] ZINC000736579990 600459211 /nfs/dbraw/zinc/45/92/11/600459211.db2.gz WCCJWFXVXNJPLE-MGUXCZDKSA-N -1 3 364.294 3.286 20 0 FGADHM Cc1ccc([C@H](C)N[C@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)c(C)c1 ZINC000738550455 600523373 /nfs/dbraw/zinc/52/33/73/600523373.db2.gz FHAOFZUQLKQAPZ-JKSUJKDBSA-N -1 3 354.450 3.357 20 0 FGADHM Cc1ccccc1C[C@H]1CCCN1CC(=O)N(C)c1ccccc1C(=O)[O-] ZINC000738768528 600538712 /nfs/dbraw/zinc/53/87/12/600538712.db2.gz NWNPXWIDFWBMKH-GOSISDBHSA-N -1 3 366.461 3.363 20 0 FGADHM CCCN1CCC[C@@H]1C(=O)NC[C@@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000737029507 600602637 /nfs/dbraw/zinc/60/26/37/600602637.db2.gz ADDRGLOYWOURMC-WOJBJXKFSA-N -1 3 368.477 3.074 20 0 FGADHM O=C1N[C@H](c2ccc(-c3nnn[n-]3)cc2F)Nc2c3ccccc3sc21 ZINC000823541533 607462899 /nfs/dbraw/zinc/46/28/99/607462899.db2.gz PXRPWQDBZPOJKI-MRXNPFEDSA-N -1 3 366.381 3.075 20 0 FGADHM O=C1N[C@H](c2ccc(-c3nn[n-]n3)cc2F)Nc2c3ccccc3sc21 ZINC000823541533 607462900 /nfs/dbraw/zinc/46/29/00/607462900.db2.gz PXRPWQDBZPOJKI-MRXNPFEDSA-N -1 3 366.381 3.075 20 0 FGADHM CCc1ccc([C@H](C)N[C@@H]2CCN(c3sccc3C(=O)[O-])C2=O)cc1 ZINC000830237020 600690936 /nfs/dbraw/zinc/69/09/36/600690936.db2.gz GDHRNCYOFVBLGZ-BLLLJJGKSA-N -1 3 358.463 3.465 20 0 FGADHM O=C([O-])[C@H](NCCOc1cccc(Br)c1)c1ccccc1F ZINC000833166253 600742674 /nfs/dbraw/zinc/74/26/74/600742674.db2.gz ODQJCIDTZDEMON-OAHLLOKOSA-N -1 3 368.202 3.383 20 0 FGADHM O[C@@H](C[C@H]1CCCN1c1ccc(F)cc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000823674016 607469071 /nfs/dbraw/zinc/46/90/71/607469071.db2.gz OQTNPGHNVKNTMS-QAPCUYQASA-N -1 3 371.391 3.237 20 0 FGADHM O[C@@H](C[C@H]1CCCN1c1ccc(F)cc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000823674016 607469072 /nfs/dbraw/zinc/46/90/72/607469072.db2.gz OQTNPGHNVKNTMS-QAPCUYQASA-N -1 3 371.391 3.237 20 0 FGADHM CCN(CC1CCN(Cc2ccc(C(=O)[O-])o2)CC1)C(=O)OC(C)(C)C ZINC000829688167 600800760 /nfs/dbraw/zinc/80/07/60/600800760.db2.gz WOVINBSZNUBVCH-UHFFFAOYSA-N -1 3 366.458 3.447 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1CNCc1ccc(OC2CCCC2)nc1 ZINC000822743628 607474453 /nfs/dbraw/zinc/47/44/53/607474453.db2.gz AXOJIWXJNKSQNI-UHFFFAOYSA-N -1 3 368.416 3.012 20 0 FGADHM C[C@H]1C[C@H]1c1ccc(CN(Cc2ccnc(-c3nnn[n-]3)c2)C2CC2)o1 ZINC000824899471 607475863 /nfs/dbraw/zinc/47/58/63/607475863.db2.gz KFDTUITVFYBHNK-BLLLJJGKSA-N -1 3 350.426 3.143 20 0 FGADHM C[C@H]1C[C@H]1c1ccc(CN(Cc2ccnc(-c3nn[n-]n3)c2)C2CC2)o1 ZINC000824899471 607475864 /nfs/dbraw/zinc/47/58/64/607475864.db2.gz KFDTUITVFYBHNK-BLLLJJGKSA-N -1 3 350.426 3.143 20 0 FGADHM CC[C@H](C)[C@@H](NC(=O)CN[C@@H](c1ccc(Cl)cc1)C(C)C)C(=O)[O-] ZINC000828720706 600985035 /nfs/dbraw/zinc/98/50/35/600985035.db2.gz YQXUFVGPHVSONB-JCURWCKSSA-N -1 3 354.878 3.242 20 0 FGADHM CCCCCC(=O)NC1CCN([C@@H](C(=O)[O-])c2ccccc2F)CC1 ZINC000829304772 600993181 /nfs/dbraw/zinc/99/31/81/600993181.db2.gz KUZMOTKWICUCID-GOSISDBHSA-N -1 3 350.434 3.112 20 0 FGADHM OCCCSc1ccc(NCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000823723059 607489827 /nfs/dbraw/zinc/48/98/27/607489827.db2.gz ZPCLGQWOKJYLGC-UHFFFAOYSA-N -1 3 359.430 3.092 20 0 FGADHM OCCCSc1ccc(NCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000823723059 607489829 /nfs/dbraw/zinc/48/98/29/607489829.db2.gz ZPCLGQWOKJYLGC-UHFFFAOYSA-N -1 3 359.430 3.092 20 0 FGADHM Fc1cc(-c2nnn[n-]2)ccc1CNc1ccc(-c2csnn2)cc1 ZINC000822744602 607489842 /nfs/dbraw/zinc/48/98/42/607489842.db2.gz XWEHPNDOYRTELR-UHFFFAOYSA-N -1 3 353.386 3.136 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1CNc1ccc(-c2csnn2)cc1 ZINC000822744602 607489844 /nfs/dbraw/zinc/48/98/44/607489844.db2.gz XWEHPNDOYRTELR-UHFFFAOYSA-N -1 3 353.386 3.136 20 0 FGADHM Cc1ccc(NC(=O)[C@@H]2CCCN([C@H](C)c3ccc(C(=O)[O-])o3)C2)nc1 ZINC000832940673 601169633 /nfs/dbraw/zinc/16/96/33/601169633.db2.gz BPDKFTRLYWMHLE-ZIAGYGMSSA-N -1 3 357.410 3.093 20 0 FGADHM C[C@@H](C(=O)[O-])[C@H](NCC(=O)Nc1ccc(F)c(Cl)c1)c1ccccc1 ZINC000826054792 601201507 /nfs/dbraw/zinc/20/15/07/601201507.db2.gz QPWJKIDROAYGOQ-DIFFPNOSSA-N -1 3 364.804 3.469 20 0 FGADHM C[C@H]1C[C@H](Nc2nc(Cl)c(C(=O)[O-])s2)CCN1Cc1ccccc1 ZINC000379636645 601213780 /nfs/dbraw/zinc/21/37/80/601213780.db2.gz QFENFKHROSSZBX-WCQYABFASA-N -1 3 365.886 3.382 20 0 FGADHM CC(C)c1ncc(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)s1 ZINC000820206518 607498083 /nfs/dbraw/zinc/49/80/83/607498083.db2.gz OGFHNOUHXFFWMA-UHFFFAOYSA-N -1 3 368.466 3.251 20 0 FGADHM CC(C)c1ncc(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)s1 ZINC000820206518 607498085 /nfs/dbraw/zinc/49/80/85/607498085.db2.gz OGFHNOUHXFFWMA-UHFFFAOYSA-N -1 3 368.466 3.251 20 0 FGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cnc(C(C)C)s1 ZINC000820152247 607499246 /nfs/dbraw/zinc/49/92/46/607499246.db2.gz VHMMOLBKKRKTFV-UHFFFAOYSA-N -1 3 372.454 3.486 20 0 FGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cnc(C(C)C)s1 ZINC000820152247 607499248 /nfs/dbraw/zinc/49/92/48/607499248.db2.gz VHMMOLBKKRKTFV-UHFFFAOYSA-N -1 3 372.454 3.486 20 0 FGADHM CCc1oc(C(=O)[O-])cc1CN1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 ZINC000830369327 601420430 /nfs/dbraw/zinc/42/04/30/601420430.db2.gz MRRWBFVISWOVJH-AWEZNQCLSA-N -1 3 371.437 3.094 20 0 FGADHM CCc1oc(C(=O)[O-])cc1CN1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000830369149 601420498 /nfs/dbraw/zinc/42/04/98/601420498.db2.gz KMYLRGMYERSHPQ-GXTWGEPZSA-N -1 3 366.458 3.275 20 0 FGADHM C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000828424274 601539581 /nfs/dbraw/zinc/53/95/81/601539581.db2.gz OUOMDBSWAQYOOU-BREBYQMCSA-N -1 3 369.343 3.469 20 0 FGADHM Cc1sc(C(=O)[O-])cc1CN1CCC(NC(=O)c2ccsc2)CC1 ZINC000833032774 601622473 /nfs/dbraw/zinc/62/24/73/601622473.db2.gz NNBRVACHZRUVFW-UHFFFAOYSA-N -1 3 364.492 3.211 20 0 FGADHM C[C@H](C(=O)[O-])[C@@H](NCC(=O)NCCc1ccc(Cl)cc1)c1ccccc1 ZINC000826055360 601651492 /nfs/dbraw/zinc/65/14/92/601651492.db2.gz ZHRNUIKCBDWMHX-IFXJQAMLSA-N -1 3 374.868 3.050 20 0 FGADHM C[C@H](C(=O)[O-])[C@@H](NCC(=O)Nc1ccc2c(c1)CCC2)c1ccccc1 ZINC000826054085 601652287 /nfs/dbraw/zinc/65/22/87/601652287.db2.gz KQIXZODVZSTHSQ-VBKZILBWSA-N -1 3 352.434 3.165 20 0 FGADHM C[C@@H](C(=O)[O-])[C@H](NCC(=O)Nc1nc2c(s1)CCCC2)c1ccccc1 ZINC000826053057 601655103 /nfs/dbraw/zinc/65/51/03/601655103.db2.gz ICJGLGAPRJSRMP-PXAZEXFGSA-N -1 3 373.478 3.012 20 0 FGADHM C[C@H](c1ccccc1)N(C)C(=O)CN[C@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000826044512 601657311 /nfs/dbraw/zinc/65/73/11/601657311.db2.gz HQPRZIBNCIZKKE-YRNRMSPPSA-N -1 3 354.450 3.258 20 0 FGADHM O=C([O-])c1ccc(COC(=O)C2CCN(Cc3ccccc3)CC2)cc1F ZINC000833316072 601731410 /nfs/dbraw/zinc/73/14/10/601731410.db2.gz OTCPUKGQRDQFGZ-UHFFFAOYSA-N -1 3 371.408 3.479 20 0 FGADHM c1ccc2oc([C@H]3CCCCN3Cc3ccnc(-c4nnn[n-]4)c3)nc2c1 ZINC000826523902 607525013 /nfs/dbraw/zinc/52/50/13/607525013.db2.gz BFYPUKYZAMPGID-MRXNPFEDSA-N -1 3 361.409 3.130 20 0 FGADHM c1ccc2oc([C@H]3CCCCN3Cc3ccnc(-c4nn[n-]n4)c3)nc2c1 ZINC000826523902 607525015 /nfs/dbraw/zinc/52/50/15/607525015.db2.gz BFYPUKYZAMPGID-MRXNPFEDSA-N -1 3 361.409 3.130 20 0 FGADHM CCN(C(=O)CCCn1cccc1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825370999 607525736 /nfs/dbraw/zinc/52/57/36/607525736.db2.gz AIECVYRCEDNVKS-HNNXBMFYSA-N -1 3 352.442 3.058 20 0 FGADHM CCN(C(=O)CCCn1cccc1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825370999 607525737 /nfs/dbraw/zinc/52/57/37/607525737.db2.gz AIECVYRCEDNVKS-HNNXBMFYSA-N -1 3 352.442 3.058 20 0 FGADHM Cc1cc(C(=O)NC2CCN(Cc3ccsc3C(=O)[O-])CC2)c(C)o1 ZINC000832862597 601822055 /nfs/dbraw/zinc/82/20/55/601822055.db2.gz BQMWTTBHRLAGEO-UHFFFAOYSA-N -1 3 362.451 3.051 20 0 FGADHM CC(=O)N1CCCCC[C@@H]1C1CCN(Cc2ccsc2C(=O)[O-])CC1 ZINC000825834490 601825139 /nfs/dbraw/zinc/82/51/39/601825139.db2.gz SCXVJSUQCYKHFT-QGZVFWFLSA-N -1 3 364.511 3.449 20 0 FGADHM COc1ccc(-c2nc(CN[C@H](C(=O)[O-])C(C)C)cs2)c(OC)c1 ZINC000832129708 601825741 /nfs/dbraw/zinc/82/57/41/601825741.db2.gz LERXWHMCENKIDA-HNNXBMFYSA-N -1 3 350.440 3.026 20 0 FGADHM O=C([O-])c1cc(CNCc2ccc(NC(=O)c3ccc(F)cc3)cc2)c[nH]1 ZINC000833159466 601832817 /nfs/dbraw/zinc/83/28/17/601832817.db2.gz RTWRKKYWNRJBHA-UHFFFAOYSA-N -1 3 367.380 3.394 20 0 FGADHM C[C@H](CN(CC(=O)N(C)Cc1cc(Cl)cc(Cl)c1)C1CC1)C(=O)[O-] ZINC000827449913 601917749 /nfs/dbraw/zinc/91/77/49/601917749.db2.gz QOYPPNSZBSXOHV-LLVKDONJSA-N -1 3 373.280 3.137 20 0 FGADHM COC(=O)C[C@H]1CSCCN1Cc1c2ccccc2sc1C(=O)[O-] ZINC000831148428 601925241 /nfs/dbraw/zinc/92/52/41/601925241.db2.gz VEVHSTQLFKGDST-NSHDSACASA-N -1 3 365.476 3.080 20 0 FGADHM O=C([O-])c1ccc(CN2CCC(n3cc(Br)cn3)CC2)s1 ZINC000833313039 601956557 /nfs/dbraw/zinc/95/65/57/601956557.db2.gz LSSSUOUYWBCRID-UHFFFAOYSA-N -1 3 370.272 3.242 20 0 FGADHM CC1CCC(N2CCN(C(=O)NCCCCCCCC(=O)[O-])CC2)CC1 ZINC000828225524 602093231 /nfs/dbraw/zinc/09/32/31/602093231.db2.gz CGJZYWXWKHAXGT-UHFFFAOYSA-N -1 3 367.534 3.318 20 0 FGADHM CCC(C)(C)[C@H]1CCCN1C(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000825039891 607548232 /nfs/dbraw/zinc/54/82/32/607548232.db2.gz YEALWEJCADSKFG-XJKSGUPXSA-N -1 3 357.458 3.061 20 0 FGADHM CN(C)CCN(C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1)C1CCCC1 ZINC000830604109 602208019 /nfs/dbraw/zinc/20/80/19/602208019.db2.gz HHNMXLXMCFOJPX-UHFFFAOYSA-N -1 3 353.850 3.376 20 0 FGADHM COc1ccc(CNC(=O)Nc2cccc3ccccc32)cc1-c1nnn[n-]1 ZINC000826200285 607553436 /nfs/dbraw/zinc/55/34/36/607553436.db2.gz IFYDGVDRRONNEF-UHFFFAOYSA-N -1 3 374.404 3.350 20 0 FGADHM COc1ccc(CNC(=O)Nc2cccc3ccccc32)cc1-c1nn[n-]n1 ZINC000826200285 607553437 /nfs/dbraw/zinc/55/34/37/607553437.db2.gz IFYDGVDRRONNEF-UHFFFAOYSA-N -1 3 374.404 3.350 20 0 FGADHM C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(Cc2ccoc2C(=O)[O-])C1 ZINC000827688276 602245076 /nfs/dbraw/zinc/24/50/76/602245076.db2.gz SYTIBGOIAVZQOS-CHWSQXEVSA-N -1 3 352.431 3.103 20 0 FGADHM O=C([O-])[C@H](NCc1cnc2ccccn12)c1ccc(Br)cc1 ZINC000833170153 602327596 /nfs/dbraw/zinc/32/75/96/602327596.db2.gz QEIGUVGUZBGNOO-OAHLLOKOSA-N -1 3 360.211 3.012 20 0 FGADHM CN(CC1CCN(C[C@H](O)c2cccc(C(F)(F)F)c2)CC1)C(=O)[O-] ZINC000739666697 602382904 /nfs/dbraw/zinc/38/29/04/602382904.db2.gz UOXHTYIGJFONGF-HNNXBMFYSA-N -1 3 360.376 3.061 20 0 FGADHM Cc1cc(CN[C@](C)(CNC(=O)OC(C)(C)C)C2CC2)oc1C(=O)[O-] ZINC000832882442 602387634 /nfs/dbraw/zinc/38/76/34/602387634.db2.gz HRLGACXPIXGUBT-GOSISDBHSA-N -1 3 352.431 3.069 20 0 FGADHM C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)c2ccc(F)c(NC(=O)[O-])c2)C1 ZINC000739060691 602486130 /nfs/dbraw/zinc/48/61/30/602486130.db2.gz URSAYIAGEBWDJD-XJKSGUPXSA-N -1 3 371.412 3.481 20 0 FGADHM CN(C[C@H]1CCN(Cc2cccc(C(=O)Nc3ccccc3)c2)C1)C(=O)[O-] ZINC000739667106 602543577 /nfs/dbraw/zinc/54/35/77/602543577.db2.gz VQHZLLRHYKENLK-QGZVFWFLSA-N -1 3 367.449 3.371 20 0 FGADHM Cc1cc(C)nc(NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826265647 607593983 /nfs/dbraw/zinc/59/39/83/607593983.db2.gz ICDJMURJNZIPMA-UHFFFAOYSA-N -1 3 366.425 3.066 20 0 FGADHM Cc1cc(C)nc(NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826265647 607593984 /nfs/dbraw/zinc/59/39/84/607593984.db2.gz ICDJMURJNZIPMA-UHFFFAOYSA-N -1 3 366.425 3.066 20 0 FGADHM O=C([O-])N[C@H](CNC(=O)c1cccc(CN2CCCC2)c1)c1ccccc1 ZINC000740534323 603023799 /nfs/dbraw/zinc/02/37/99/603023799.db2.gz KYYCZEBKJDYQTO-LJQANCHMSA-N -1 3 367.449 3.021 20 0 FGADHM COc1ccc(COC(=O)c2cc3cc(F)ccc3o2)cc1-c1nnn[n-]1 ZINC000826205729 607607906 /nfs/dbraw/zinc/60/79/06/607607906.db2.gz JNZAMNHEAAQPDH-UHFFFAOYSA-N -1 3 368.324 3.118 20 0 FGADHM COc1ccc(COC(=O)c2cc3cc(F)ccc3o2)cc1-c1nn[n-]n1 ZINC000826205729 607607908 /nfs/dbraw/zinc/60/79/08/607607908.db2.gz JNZAMNHEAAQPDH-UHFFFAOYSA-N -1 3 368.324 3.118 20 0 FGADHM COc1ccc(-c2nc(CN[C@@H]3CCC[C@H]3CNC(=O)[O-])cs2)cc1 ZINC000829243236 603168303 /nfs/dbraw/zinc/16/83/03/603168303.db2.gz MNCRXKCJGUGFRZ-XJKSGUPXSA-N -1 3 361.467 3.345 20 0 FGADHM Cc1cccc(N(C(C)C)S(=O)(=O)c2cccc(C)c2-c2nnn[n-]2)c1 ZINC000826299130 607611623 /nfs/dbraw/zinc/61/16/23/607611623.db2.gz SIQOOBPSZDDTSA-UHFFFAOYSA-N -1 3 371.466 3.087 20 0 FGADHM Cc1cccc(N(C(C)C)S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)c1 ZINC000826299130 607611625 /nfs/dbraw/zinc/61/16/25/607611625.db2.gz SIQOOBPSZDDTSA-UHFFFAOYSA-N -1 3 371.466 3.087 20 0 FGADHM Cc1ccc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1NC(=O)[O-] ZINC000830211367 603255829 /nfs/dbraw/zinc/25/58/29/603255829.db2.gz ONNLBAXULDEVRC-QGZVFWFLSA-N -1 3 353.422 3.089 20 0 FGADHM C[C@H](C(=O)Nc1ccccc1CN(C)C)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823722507 603316993 /nfs/dbraw/zinc/31/69/93/603316993.db2.gz FHOUAFQRJSGEDF-KSSFIOAISA-N -1 3 355.438 3.332 20 0 FGADHM CN(C)C[C@@H](NC(=O)Nc1ccccc1CN(C)C(=O)[O-])c1ccccc1 ZINC000739608997 603341463 /nfs/dbraw/zinc/34/14/63/603341463.db2.gz ZAOYXFSDXAGBRA-GOSISDBHSA-N -1 3 370.453 3.221 20 0 FGADHM CN(CCNC(=O)Nc1cccc(CN(C)C(=O)[O-])c1)Cc1ccccc1 ZINC000739693273 603361730 /nfs/dbraw/zinc/36/17/30/603361730.db2.gz FUTMVDSZUCSQCI-UHFFFAOYSA-N -1 3 370.453 3.050 20 0 FGADHM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)NCCN(C)Cc2ccccc2)cc1 ZINC000825433525 603386778 /nfs/dbraw/zinc/38/67/78/603386778.db2.gz FHVLBVZFWASMAH-OAHLLOKOSA-N -1 3 370.453 3.269 20 0 FGADHM CCCCNC(=S)N(Cc1ccccc1-c1nnn[n-]1)C1CCCC1 ZINC000825291629 607647534 /nfs/dbraw/zinc/64/75/34/607647534.db2.gz VZCBEQWYLOAWFC-UHFFFAOYSA-N -1 3 358.515 3.286 20 0 FGADHM CCCCNC(=S)N(Cc1ccccc1-c1nn[n-]n1)C1CCCC1 ZINC000825291629 607647536 /nfs/dbraw/zinc/64/75/36/607647536.db2.gz VZCBEQWYLOAWFC-UHFFFAOYSA-N -1 3 358.515 3.286 20 0 FGADHM CN(C)C(=O)Sc1cccc(CN2CCC[C@@H](CN(C)C(=O)[O-])C2)c1 ZINC000827975188 603734214 /nfs/dbraw/zinc/73/42/14/603734214.db2.gz JPRPXAOYJNKJKO-HNNXBMFYSA-N -1 3 365.499 3.282 20 0 FGADHM C[C@H](NC(=O)CN(C)C1CCC(NC(=O)[O-])CC1)c1ccc(Cl)cc1 ZINC000825115468 603787137 /nfs/dbraw/zinc/78/71/37/603787137.db2.gz LYCHNMHOHJCJIN-JQRITLKVSA-N -1 3 367.877 3.028 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccccc1OC(F)(F)F ZINC000826250843 607655980 /nfs/dbraw/zinc/65/59/80/607655980.db2.gz VGMQOZLXJVDLMU-UHFFFAOYSA-N -1 3 363.299 3.326 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccccc1OC(F)(F)F ZINC000826250843 607655981 /nfs/dbraw/zinc/65/59/81/607655981.db2.gz VGMQOZLXJVDLMU-UHFFFAOYSA-N -1 3 363.299 3.326 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@H](C)c1ccc(OC(F)F)cc1 ZINC000826246786 607658421 /nfs/dbraw/zinc/65/84/21/607658421.db2.gz LGDWPDCBRMPRMF-LLVKDONJSA-N -1 3 373.363 3.268 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@H](C)c1ccc(OC(F)F)cc1 ZINC000826246786 607658424 /nfs/dbraw/zinc/65/84/24/607658424.db2.gz LGDWPDCBRMPRMF-LLVKDONJSA-N -1 3 373.363 3.268 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1-c1nc(Cc2cccc3cccnc32)no1 ZINC000826243439 607658438 /nfs/dbraw/zinc/65/84/38/607658438.db2.gz ISDZGUIMCKYUIC-UHFFFAOYSA-N -1 3 369.388 3.364 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1-c1nc(Cc2cccc3cccnc32)no1 ZINC000826243439 607658439 /nfs/dbraw/zinc/65/84/39/607658439.db2.gz ISDZGUIMCKYUIC-UHFFFAOYSA-N -1 3 369.388 3.364 20 0 FGADHM C[C@@H](c1cc2ccccc2o1)N(C)C(=O)CN(C)C1CCN(C(=O)[O-])CC1 ZINC000825622616 603982387 /nfs/dbraw/zinc/98/23/87/603982387.db2.gz DHPQPXIVYWPKKB-AWEZNQCLSA-N -1 3 373.453 3.026 20 0 FGADHM CN(C[C@@H]1CCCN1Cc1ccc(OCc2ccncc2)cc1)C(=O)[O-] ZINC000828229279 604088411 /nfs/dbraw/zinc/08/84/11/604088411.db2.gz BHADNCCBURXOQC-SFHVURJKSA-N -1 3 355.438 3.235 20 0 FGADHM COCCN(C(=O)c1ccc(-c2nnn[n-]2)cc1C)[C@H](C)c1ccccc1 ZINC000826157184 607674747 /nfs/dbraw/zinc/67/47/47/607674747.db2.gz KTZLKYRHMZKFRO-OAHLLOKOSA-N -1 3 365.437 3.025 20 0 FGADHM COCCN(C(=O)c1ccc(-c2nn[n-]n2)cc1C)[C@H](C)c1ccccc1 ZINC000826157184 607674750 /nfs/dbraw/zinc/67/47/50/607674750.db2.gz KTZLKYRHMZKFRO-OAHLLOKOSA-N -1 3 365.437 3.025 20 0 FGADHM CC(=O)Nc1ccc(Cl)cc1NC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000824000107 607674853 /nfs/dbraw/zinc/67/48/53/607674853.db2.gz UWFXJYKDFBEPOQ-UHFFFAOYSA-N -1 3 370.800 3.039 20 0 FGADHM CC(=O)Nc1ccc(Cl)cc1NC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000824000107 607674855 /nfs/dbraw/zinc/67/48/55/607674855.db2.gz UWFXJYKDFBEPOQ-UHFFFAOYSA-N -1 3 370.800 3.039 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(C)Cc1ccc(F)cc1Cl ZINC000826243324 607685741 /nfs/dbraw/zinc/68/57/41/607685741.db2.gz CZVCSEZZNVIBOH-UHFFFAOYSA-N -1 3 359.792 3.240 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(C)Cc1ccc(F)cc1Cl ZINC000826243324 607685742 /nfs/dbraw/zinc/68/57/42/607685742.db2.gz CZVCSEZZNVIBOH-UHFFFAOYSA-N -1 3 359.792 3.240 20 0 FGADHM Cc1ccc(NC(=O)C[C@@H](C)[C@@H]2CCCN(C(=O)[O-])C2)c(CN(C)C)c1 ZINC000830364813 604355513 /nfs/dbraw/zinc/35/55/13/604355513.db2.gz UZOLYDGFVMFCJY-HZPDHXFCSA-N -1 3 361.486 3.411 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@H](C1CCCCC1)C(F)(F)F ZINC000826246688 607703592 /nfs/dbraw/zinc/70/35/92/607703592.db2.gz JMKBJUVDVNEJEZ-CQSZACIVSA-N -1 3 367.375 3.416 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@H](C1CCCCC1)C(F)(F)F ZINC000826246688 607703594 /nfs/dbraw/zinc/70/35/94/607703594.db2.gz JMKBJUVDVNEJEZ-CQSZACIVSA-N -1 3 367.375 3.416 20 0 FGADHM CC[C@H](C)OCC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000825075274 607704988 /nfs/dbraw/zinc/70/49/88/607704988.db2.gz NZYMLMCENDMPSX-ZDUSSCGKSA-N -1 3 367.409 3.413 20 0 FGADHM CC[C@H](C)OCC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000825075274 607704989 /nfs/dbraw/zinc/70/49/89/607704989.db2.gz NZYMLMCENDMPSX-ZDUSSCGKSA-N -1 3 367.409 3.413 20 0 FGADHM O=C([O-])[C@@H]1CC12CCN(Cc1ccccc1OCc1ccncc1)CC2 ZINC000833772167 604650949 /nfs/dbraw/zinc/65/09/49/604650949.db2.gz ZDEIJAYZKOBNHJ-SFHVURJKSA-N -1 3 352.434 3.347 20 0 FGADHM C[C@H]1C[C@H](NC(=O)CCc2ccccc2C(=O)[O-])CN1Cc1ccccc1 ZINC000833596397 604782784 /nfs/dbraw/zinc/78/27/84/604782784.db2.gz KJGAEDSTQXONNM-LPHOPBHVSA-N -1 3 366.461 3.097 20 0 FGADHM C[C@@H](CC(=O)OCc1ccccc1-c1nnn[n-]1)c1ccc(F)cc1F ZINC000824391777 607722050 /nfs/dbraw/zinc/72/20/50/607722050.db2.gz KMGOSDVBBUNVMQ-NSHDSACASA-N -1 3 358.348 3.382 20 0 FGADHM C[C@@H](CC(=O)OCc1ccccc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC000824391777 607722053 /nfs/dbraw/zinc/72/20/53/607722053.db2.gz KMGOSDVBBUNVMQ-NSHDSACASA-N -1 3 358.348 3.382 20 0 FGADHM C[C@H](C(=O)Nc1ccc(Cl)cc1)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000833409947 604933647 /nfs/dbraw/zinc/93/36/47/604933647.db2.gz UDCCBCVDLIYTJE-OLZOCXBDSA-N -1 3 352.862 3.490 20 0 FGADHM Cc1c([C@H](C)N[C@H](C)[C@H]2CCCN(C(=O)[O-])C2)nnn1-c1ccccc1 ZINC000829859668 604939466 /nfs/dbraw/zinc/93/94/66/604939466.db2.gz PQWYDXCNAMPCNM-YCPHGPKFSA-N -1 3 357.458 3.005 20 0 FGADHM C[C@@H](NCc1ccc(CCNC(=O)[O-])cc1)c1ccc([S@@](C)=O)cc1 ZINC000825503840 604942609 /nfs/dbraw/zinc/94/26/09/604942609.db2.gz YARLXCMCPFAOAY-DLUDVSRJSA-N -1 3 360.479 3.085 20 0 FGADHM CC(C)(C(=O)[O-])[C@@H]1CCCN([C@@H]2CCCN(c3ccccc3F)C2=O)C1 ZINC000833417289 604945334 /nfs/dbraw/zinc/94/53/34/604945334.db2.gz OMMDRAVFMSLZNW-RHSMWYFYSA-N -1 3 362.445 3.144 20 0 FGADHM C[C@H](C(=O)Nc1cccc(Cl)c1)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000833410270 604952712 /nfs/dbraw/zinc/95/27/12/604952712.db2.gz WNLDVCACIHHNSM-CHWSQXEVSA-N -1 3 352.862 3.490 20 0 FGADHM C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1Cc1ccsc1C(=O)[O-] ZINC000833595852 604970507 /nfs/dbraw/zinc/97/05/07/604970507.db2.gz ANYQPAWMPXQYQS-DGCLKSJQSA-N -1 3 354.472 3.324 20 0 FGADHM O[C@H](c1ccccc1)C1(CNc2ccc(Cl)cc2-c2nnn[n-]2)CC1 ZINC000826504684 607735398 /nfs/dbraw/zinc/73/53/98/607735398.db2.gz BFGXAILGXGGPDI-MRXNPFEDSA-N -1 3 355.829 3.446 20 0 FGADHM O[C@H](c1ccccc1)C1(CNc2ccc(Cl)cc2-c2nn[n-]n2)CC1 ZINC000826504684 607735399 /nfs/dbraw/zinc/73/53/99/607735399.db2.gz BFGXAILGXGGPDI-MRXNPFEDSA-N -1 3 355.829 3.446 20 0 FGADHM CC(C)(C(=O)[O-])[C@@H](NCC(=O)N(C1CC1)C1CCCC1)c1ccccc1 ZINC000833415497 605184521 /nfs/dbraw/zinc/18/45/21/605184521.db2.gz WBRMEXAIVVHNBE-IBGZPJMESA-N -1 3 358.482 3.362 20 0 FGADHM CCSc1ccc(CC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825674017 607745868 /nfs/dbraw/zinc/74/58/68/607745868.db2.gz DXRQZKRUYUOEAS-ZDUSSCGKSA-N -1 3 367.478 3.399 20 0 FGADHM CCSc1ccc(CC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825674017 607745869 /nfs/dbraw/zinc/74/58/69/607745869.db2.gz DXRQZKRUYUOEAS-ZDUSSCGKSA-N -1 3 367.478 3.399 20 0 FGADHM C[C@H]([C@@H](C)c1ccc(Cl)cc1)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000824763202 607746436 /nfs/dbraw/zinc/74/64/36/607746436.db2.gz LAYQURCSJSRLES-GHMZBOCLSA-N -1 3 358.833 3.112 20 0 FGADHM C[C@H]([C@@H](C)c1ccc(Cl)cc1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000824763202 607746437 /nfs/dbraw/zinc/74/64/37/607746437.db2.gz LAYQURCSJSRLES-GHMZBOCLSA-N -1 3 358.833 3.112 20 0 FGADHM Cc1cc(C(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)ccc1NC(=O)[O-] ZINC000829940748 605330051 /nfs/dbraw/zinc/33/00/51/605330051.db2.gz PDGOJTHTSVZMAL-QAPCUYQASA-N -1 3 367.449 3.478 20 0 FGADHM COc1cc(C)cc(CNC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000826178104 607757755 /nfs/dbraw/zinc/75/77/55/607757755.db2.gz JXPLBNRNJSCAIM-UHFFFAOYSA-N -1 3 372.816 3.159 20 0 FGADHM COc1cc(C)cc(CNC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000826178104 607757756 /nfs/dbraw/zinc/75/77/56/607757756.db2.gz JXPLBNRNJSCAIM-UHFFFAOYSA-N -1 3 372.816 3.159 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N1CC[C@H]1Cc1ccccc1 ZINC000826453131 607765004 /nfs/dbraw/zinc/76/50/04/607765004.db2.gz XLXBWJYUNFFOKH-AWEZNQCLSA-N -1 3 368.828 3.369 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N1CC[C@H]1Cc1ccccc1 ZINC000826453131 607765005 /nfs/dbraw/zinc/76/50/05/607765005.db2.gz XLXBWJYUNFFOKH-AWEZNQCLSA-N -1 3 368.828 3.369 20 0 FGADHM Cc1noc(C)c1CCN[C@@H]1C[C@]2(CCN(C(=O)[O-])C2)Oc2ccccc21 ZINC000833930356 605635732 /nfs/dbraw/zinc/63/57/32/605635732.db2.gz DXDJALIGJPECRJ-XLIONFOSSA-N -1 3 371.437 3.070 20 0 FGADHM O=C([O-])N1CC(CNCc2nc3c(s2)C[C@H](c2ccccc2)CC3)C1 ZINC000834068391 605639075 /nfs/dbraw/zinc/63/90/75/605639075.db2.gz CLPXOWGCKDKMPB-OAHLLOKOSA-N -1 3 357.479 3.115 20 0 FGADHM O=C([O-])N1CC[C@]2(C1)C[C@@H](NCCNc1ccccc1)c1ccccc1O2 ZINC000834088881 605641474 /nfs/dbraw/zinc/64/14/74/605641474.db2.gz ZPSUTSSOKWSPBG-WIYYLYMNSA-N -1 3 367.449 3.334 20 0 FGADHM CC[C@@H](SC)C(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000825159822 607770334 /nfs/dbraw/zinc/77/03/34/607770334.db2.gz ULBWPVOZWIWZJU-GFCCVEGCSA-N -1 3 360.468 3.070 20 0 FGADHM CC[C@@H](SC)C(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000825159822 607770335 /nfs/dbraw/zinc/77/03/35/607770335.db2.gz ULBWPVOZWIWZJU-GFCCVEGCSA-N -1 3 360.468 3.070 20 0 FGADHM C[C@@H]1CC[C@@H](NC(=O)COc2cccc(-c3nnn[n-]3)c2)c2ccccc21 ZINC000824916631 607771922 /nfs/dbraw/zinc/77/19/22/607771922.db2.gz KUCUWCGZBJMUIG-FZKQIMNGSA-N -1 3 363.421 3.000 20 0 FGADHM C[C@@H]1CC[C@@H](NC(=O)COc2cccc(-c3nn[n-]n3)c2)c2ccccc21 ZINC000824916631 607771923 /nfs/dbraw/zinc/77/19/23/607771923.db2.gz KUCUWCGZBJMUIG-FZKQIMNGSA-N -1 3 363.421 3.000 20 0 FGADHM C[C@H]1CC[C@H](NC(=O)COc2ccccc2-c2nnn[n-]2)c2ccccc21 ZINC000824919153 607771961 /nfs/dbraw/zinc/77/19/61/607771961.db2.gz SASVPRCIFPGPRK-GUYCJALGSA-N -1 3 363.421 3.000 20 0 FGADHM C[C@H]1CC[C@H](NC(=O)COc2ccccc2-c2nn[n-]n2)c2ccccc21 ZINC000824919153 607771962 /nfs/dbraw/zinc/77/19/62/607771962.db2.gz SASVPRCIFPGPRK-GUYCJALGSA-N -1 3 363.421 3.000 20 0 FGADHM Cc1nccn1-c1ccc(CN[C@H]2C[C@@H](NC(=O)[O-])c3ccccc32)cn1 ZINC000833919374 605790895 /nfs/dbraw/zinc/79/08/95/605790895.db2.gz WPZNJXHSZWJODQ-ZWKOTPCHSA-N -1 3 363.421 3.119 20 0 FGADHM O=C([O-])N1CCC(CN2C[C@@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)CC1 ZINC000834075816 605880116 /nfs/dbraw/zinc/88/01/16/605880116.db2.gz UFNXUWWAJFMZEE-JKSUJKDBSA-N -1 3 372.387 3.203 20 0 FGADHM COc1cc(CNc2ccc(-c3nnn[n-]3)nc2)ccc1OCCC(C)C ZINC000821717699 606047185 /nfs/dbraw/zinc/04/71/85/606047185.db2.gz UZQNZWHWWQYMGX-UHFFFAOYSA-N -1 3 368.441 3.307 20 0 FGADHM COc1cc(CNc2ccc(-c3nn[n-]n3)nc2)ccc1OCCC(C)C ZINC000821717699 606047191 /nfs/dbraw/zinc/04/71/91/606047191.db2.gz UZQNZWHWWQYMGX-UHFFFAOYSA-N -1 3 368.441 3.307 20 0 FGADHM c1cn(-c2ccccc2)nc1CNc1nc2ccccc2cc1-c1nnn[n-]1 ZINC000823773203 606053256 /nfs/dbraw/zinc/05/32/56/606053256.db2.gz RSPSATFELKBHPA-UHFFFAOYSA-N -1 3 368.404 3.213 20 0 FGADHM c1cn(-c2ccccc2)nc1CNc1nc2ccccc2cc1-c1nn[n-]n1 ZINC000823773203 606053263 /nfs/dbraw/zinc/05/32/63/606053263.db2.gz RSPSATFELKBHPA-UHFFFAOYSA-N -1 3 368.404 3.213 20 0 FGADHM CCO[C@@H]1C[C@H](Nc2nc3ccccc3cc2-c2nnn[n-]2)C12CCC2 ZINC000821357843 606093570 /nfs/dbraw/zinc/09/35/70/606093570.db2.gz FZGLMNQCTUQBPH-JKSUJKDBSA-N -1 3 350.426 3.175 20 0 FGADHM CCO[C@@H]1C[C@H](Nc2nc3ccccc3cc2-c2nn[n-]n2)C12CCC2 ZINC000821357843 606093572 /nfs/dbraw/zinc/09/35/72/606093572.db2.gz FZGLMNQCTUQBPH-JKSUJKDBSA-N -1 3 350.426 3.175 20 0 FGADHM Cc1ccc(CCC(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)o1 ZINC000822235003 606103585 /nfs/dbraw/zinc/10/35/85/606103585.db2.gz OIHZBZNDZFVZMM-UHFFFAOYSA-N -1 3 365.315 3.358 20 0 FGADHM Cc1ccc(CCC(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)o1 ZINC000822235003 606103586 /nfs/dbraw/zinc/10/35/86/606103586.db2.gz OIHZBZNDZFVZMM-UHFFFAOYSA-N -1 3 365.315 3.358 20 0 FGADHM Fc1cc(F)c2ncc(-c3nnn[n-]3)c(N3C[C@@H]4CCCC[C@H]4C3)c2c1 ZINC000822753483 606106275 /nfs/dbraw/zinc/10/62/75/606106275.db2.gz NUHIQZVMJFTKOK-QWRGUYRKSA-N -1 3 356.380 3.320 20 0 FGADHM Fc1cc(F)c2ncc(-c3nn[n-]n3)c(N3C[C@@H]4CCCC[C@H]4C3)c2c1 ZINC000822753483 606106276 /nfs/dbraw/zinc/10/62/76/606106276.db2.gz NUHIQZVMJFTKOK-QWRGUYRKSA-N -1 3 356.380 3.320 20 0 FGADHM C[C@H]1CCN(C(=O)c2cccc(-c3nnn[n-]3)c2)[C@@H]1c1cccc(F)c1 ZINC000820716582 606110087 /nfs/dbraw/zinc/11/00/87/606110087.db2.gz JVBKIWUWXGHZGL-SJCJKPOMSA-N -1 3 351.385 3.229 20 0 FGADHM C[C@H]1CCN(C(=O)c2cccc(-c3nn[n-]n3)c2)[C@@H]1c1cccc(F)c1 ZINC000820716582 606110089 /nfs/dbraw/zinc/11/00/89/606110089.db2.gz JVBKIWUWXGHZGL-SJCJKPOMSA-N -1 3 351.385 3.229 20 0 FGADHM Cc1sc(NC(=O)CN2Cc3ccccc3[C@@H]2C)c(-c2nnn[n-]2)c1C ZINC000822564256 606116392 /nfs/dbraw/zinc/11/63/92/606116392.db2.gz XQIQRSLGFTXTNK-NSHDSACASA-N -1 3 368.466 3.060 20 0 FGADHM Cc1sc(NC(=O)CN2Cc3ccccc3[C@@H]2C)c(-c2nn[n-]n2)c1C ZINC000822564256 606116394 /nfs/dbraw/zinc/11/63/94/606116394.db2.gz XQIQRSLGFTXTNK-NSHDSACASA-N -1 3 368.466 3.060 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H](C)[C@H](C)c1ccccc1 ZINC000821761626 606120772 /nfs/dbraw/zinc/12/07/72/606120772.db2.gz CNPKISOSUSXNBZ-QWHCGFSZSA-N -1 3 366.425 3.189 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H](C)[C@H](C)c1ccccc1 ZINC000821761626 606120773 /nfs/dbraw/zinc/12/07/73/606120773.db2.gz CNPKISOSUSXNBZ-QWHCGFSZSA-N -1 3 366.425 3.189 20 0 FGADHM C[C@H](NC(=O)c1scnc1C(C)(C)C)c1cccc(-c2nnn[n-]2)c1 ZINC000820404313 606123127 /nfs/dbraw/zinc/12/31/27/606123127.db2.gz RXRPXHQMZNJWCJ-JTQLQIEISA-N -1 3 356.455 3.112 20 0 FGADHM C[C@H](NC(=O)c1scnc1C(C)(C)C)c1cccc(-c2nn[n-]n2)c1 ZINC000820404313 606123128 /nfs/dbraw/zinc/12/31/28/606123128.db2.gz RXRPXHQMZNJWCJ-JTQLQIEISA-N -1 3 356.455 3.112 20 0 FGADHM Cc1cccnc1C(=O)N(Cc1ccco1)c1ccccc1-c1nnn[n-]1 ZINC000822366641 606126811 /nfs/dbraw/zinc/12/68/11/606126811.db2.gz QLOWPPYCIDZOFU-UHFFFAOYSA-N -1 3 360.377 3.010 20 0 FGADHM Cc1cccnc1C(=O)N(Cc1ccco1)c1ccccc1-c1nn[n-]n1 ZINC000822366641 606126813 /nfs/dbraw/zinc/12/68/13/606126813.db2.gz QLOWPPYCIDZOFU-UHFFFAOYSA-N -1 3 360.377 3.010 20 0 FGADHM Cc1cccn2cc(CCNc3c(Cl)cccc3-c3nnn[n-]3)nc12 ZINC000822366845 606139744 /nfs/dbraw/zinc/13/97/44/606139744.db2.gz VPNCPHFQUHJATJ-UHFFFAOYSA-N -1 3 353.817 3.131 20 0 FGADHM Cc1cccn2cc(CCNc3c(Cl)cccc3-c3nn[n-]n3)nc12 ZINC000822366845 606139746 /nfs/dbraw/zinc/13/97/46/606139746.db2.gz VPNCPHFQUHJATJ-UHFFFAOYSA-N -1 3 353.817 3.131 20 0 FGADHM CC[C@H](Oc1ccccc1C)C(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000820938688 606148475 /nfs/dbraw/zinc/14/84/75/606148475.db2.gz LUHYIGLSBDZWJY-INIZCTEOSA-N -1 3 370.384 3.215 20 0 FGADHM CC[C@H](Oc1ccccc1C)C(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000820938688 606148477 /nfs/dbraw/zinc/14/84/77/606148477.db2.gz LUHYIGLSBDZWJY-INIZCTEOSA-N -1 3 370.384 3.215 20 0 FGADHM COc1cc(NCc2ccccc2-c2nnn[n-]2)ccc1Br ZINC000821723671 606156901 /nfs/dbraw/zinc/15/69/01/606156901.db2.gz HLEJHSBQQXGFPU-UHFFFAOYSA-N -1 3 360.215 3.250 20 0 FGADHM COc1cc(NCc2ccccc2-c2nn[n-]n2)ccc1Br ZINC000821723671 606156903 /nfs/dbraw/zinc/15/69/03/606156903.db2.gz HLEJHSBQQXGFPU-UHFFFAOYSA-N -1 3 360.215 3.250 20 0 FGADHM C[C@@H](OC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ncc(C(C)(C)C)o1 ZINC000820488409 606167242 /nfs/dbraw/zinc/16/72/42/606167242.db2.gz NTVJOBZSFXXONZ-BZYZDCJZSA-N -1 3 367.409 3.470 20 0 FGADHM C[C@@H](OC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ncc(C(C)(C)C)o1 ZINC000820488409 606167243 /nfs/dbraw/zinc/16/72/43/606167243.db2.gz NTVJOBZSFXXONZ-BZYZDCJZSA-N -1 3 367.409 3.470 20 0 FGADHM Fc1cc(Cl)cnc1N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000822748130 606183288 /nfs/dbraw/zinc/18/32/88/606183288.db2.gz JGZIWZJGSBAFLF-UHFFFAOYSA-N -1 3 374.807 3.102 20 0 FGADHM Fc1cc(Cl)cnc1N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000822748130 606183289 /nfs/dbraw/zinc/18/32/89/606183289.db2.gz JGZIWZJGSBAFLF-UHFFFAOYSA-N -1 3 374.807 3.102 20 0 FGADHM Cc1ccc(CCCC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)s1 ZINC000822236376 606186853 /nfs/dbraw/zinc/18/68/53/606186853.db2.gz WRPWKORPUQBPDP-CYBMUJFWSA-N -1 3 355.467 3.437 20 0 FGADHM Cc1ccc(CCCC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)s1 ZINC000822236376 606186855 /nfs/dbraw/zinc/18/68/55/606186855.db2.gz WRPWKORPUQBPDP-CYBMUJFWSA-N -1 3 355.467 3.437 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N1CCSC2(CCCCC2)C1 ZINC000822927982 606188806 /nfs/dbraw/zinc/18/88/06/606188806.db2.gz CBLXTOTXWVHUGW-HJWRWDBZSA-N -1 3 369.494 3.158 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N1CCSC2(CCCCC2)C1 ZINC000822927982 606188808 /nfs/dbraw/zinc/18/88/08/606188808.db2.gz CBLXTOTXWVHUGW-HJWRWDBZSA-N -1 3 369.494 3.158 20 0 FGADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000822649676 606209635 /nfs/dbraw/zinc/20/96/35/606209635.db2.gz IGNJDGARCABNSF-UHFFFAOYSA-N -1 3 370.722 3.130 20 0 FGADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000822649676 606209636 /nfs/dbraw/zinc/20/96/36/606209636.db2.gz IGNJDGARCABNSF-UHFFFAOYSA-N -1 3 370.722 3.130 20 0 FGADHM Cc1c(Cl)c(COC(=O)c2cc(-c3nnn[n-]3)c[nH]2)nc2ccccc12 ZINC000822035006 606228872 /nfs/dbraw/zinc/22/88/72/606228872.db2.gz ODZDWLDCWBZOEU-UHFFFAOYSA-N -1 3 368.784 3.062 20 0 FGADHM Cc1c(Cl)c(COC(=O)c2cc(-c3nn[n-]n3)c[nH]2)nc2ccccc12 ZINC000822035006 606228874 /nfs/dbraw/zinc/22/88/74/606228874.db2.gz ODZDWLDCWBZOEU-UHFFFAOYSA-N -1 3 368.784 3.062 20 0 FGADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000822631705 606230315 /nfs/dbraw/zinc/23/03/15/606230315.db2.gz FOMWGURVXJJUSZ-KRWDZBQOSA-N -1 3 368.416 3.006 20 0 FGADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000822631705 606230317 /nfs/dbraw/zinc/23/03/17/606230317.db2.gz FOMWGURVXJJUSZ-KRWDZBQOSA-N -1 3 368.416 3.006 20 0 FGADHM O=C(Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1)[C@H]1C[C@@H]1C1CC1 ZINC000823350256 606230417 /nfs/dbraw/zinc/23/04/17/606230417.db2.gz GHPDDDCWAPIDLC-CVEARBPZSA-N -1 3 362.393 3.039 20 0 FGADHM C[C@H](OC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1ccc(Cl)cc1Cl ZINC000820502969 606231093 /nfs/dbraw/zinc/23/10/93/606231093.db2.gz WTABRTBOQRCDLE-ZETCQYMHSA-N -1 3 352.181 3.420 20 0 FGADHM C[C@H](OC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1ccc(Cl)cc1Cl ZINC000820502969 606231095 /nfs/dbraw/zinc/23/10/95/606231095.db2.gz WTABRTBOQRCDLE-ZETCQYMHSA-N -1 3 352.181 3.420 20 0 FGADHM O=C(CC[C@H]1CCOC1)Nc1sc(-c2ccccc2)cc1-c1nnn[n-]1 ZINC000822950548 606231381 /nfs/dbraw/zinc/23/13/81/606231381.db2.gz SJDDEOCHFQXTGM-LBPRGKRZSA-N -1 3 369.450 3.350 20 0 FGADHM O=C(CC[C@H]1CCOC1)Nc1sc(-c2ccccc2)cc1-c1nn[n-]n1 ZINC000822950548 606231384 /nfs/dbraw/zinc/23/13/84/606231384.db2.gz SJDDEOCHFQXTGM-LBPRGKRZSA-N -1 3 369.450 3.350 20 0 FGADHM Cc1nnc(N2CC[C@@](C)(CCc3ccccc3)C2)c(-c2nnn[n-]2)c1C ZINC000822509608 606234674 /nfs/dbraw/zinc/23/46/74/606234674.db2.gz BPFMTMOUUPTSMV-HXUWFJFHSA-N -1 3 363.469 3.123 20 0 FGADHM Cc1nnc(N2CC[C@@](C)(CCc3ccccc3)C2)c(-c2nn[n-]n2)c1C ZINC000822509608 606234676 /nfs/dbraw/zinc/23/46/76/606234676.db2.gz BPFMTMOUUPTSMV-HXUWFJFHSA-N -1 3 363.469 3.123 20 0 FGADHM FC(F)COc1ccc(Nc2ncc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000822731953 606242679 /nfs/dbraw/zinc/24/26/79/606242679.db2.gz GNZOUILMWSTLAC-UHFFFAOYSA-N -1 3 352.732 3.303 20 0 FGADHM FC(F)COc1ccc(Nc2ncc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000822731953 606242681 /nfs/dbraw/zinc/24/26/81/606242681.db2.gz GNZOUILMWSTLAC-UHFFFAOYSA-N -1 3 352.732 3.303 20 0 FGADHM Cc1sc(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)nc1-c1ccc(C)cc1 ZINC000822213915 606249457 /nfs/dbraw/zinc/24/94/57/606249457.db2.gz GTMVUKDTHVAIOG-UHFFFAOYSA-N -1 3 365.422 3.187 20 0 FGADHM Cc1sc(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)nc1-c1ccc(C)cc1 ZINC000822213915 606249459 /nfs/dbraw/zinc/24/94/59/606249459.db2.gz GTMVUKDTHVAIOG-UHFFFAOYSA-N -1 3 365.422 3.187 20 0 FGADHM O=C(Nc1nc(-c2cccc(Cl)c2)cs1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823375946 606256341 /nfs/dbraw/zinc/25/63/41/606256341.db2.gz QYBVWSTZEPRLLW-UHFFFAOYSA-N -1 3 371.813 3.224 20 0 FGADHM O=C(Nc1nc(-c2cccc(Cl)c2)cs1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823375946 606256342 /nfs/dbraw/zinc/25/63/42/606256342.db2.gz QYBVWSTZEPRLLW-UHFFFAOYSA-N -1 3 371.813 3.224 20 0 FGADHM O=C(CCOc1ccc(Cl)cc1)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000822974204 606261885 /nfs/dbraw/zinc/26/18/85/606261885.db2.gz AVQXQLOPSUWJOU-UHFFFAOYSA-N -1 3 361.764 3.067 20 0 FGADHM O=C(CCOc1ccc(Cl)cc1)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000822974204 606261886 /nfs/dbraw/zinc/26/18/86/606261886.db2.gz AVQXQLOPSUWJOU-UHFFFAOYSA-N -1 3 361.764 3.067 20 0 FGADHM Cc1nc(C(C)(C)C)sc1C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000822424663 606265330 /nfs/dbraw/zinc/26/53/30/606265330.db2.gz YLBQDLBBPGHXBB-UHFFFAOYSA-N -1 3 360.418 3.321 20 0 FGADHM Cc1nc(C(C)(C)C)sc1C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000822424663 606265331 /nfs/dbraw/zinc/26/53/31/606265331.db2.gz YLBQDLBBPGHXBB-UHFFFAOYSA-N -1 3 360.418 3.321 20 0 FGADHM O=C(CSCc1ccc(F)cc1)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000823060878 606265805 /nfs/dbraw/zinc/26/58/05/606265805.db2.gz MTUBGVNVRGKHML-UHFFFAOYSA-N -1 3 361.377 3.017 20 0 FGADHM O=C(CSCc1ccc(F)cc1)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000823060878 606265807 /nfs/dbraw/zinc/26/58/07/606265807.db2.gz MTUBGVNVRGKHML-UHFFFAOYSA-N -1 3 361.377 3.017 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)[C@H]1C[C@]12CCCc1ccccc12 ZINC000823337265 606270904 /nfs/dbraw/zinc/27/09/04/606270904.db2.gz JFBBLEIFRCKXCF-UZLBHIALSA-N -1 3 363.396 3.239 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)[C@H]1C[C@]12CCCc1ccccc12 ZINC000823337265 606270906 /nfs/dbraw/zinc/27/09/06/606270906.db2.gz JFBBLEIFRCKXCF-UZLBHIALSA-N -1 3 363.396 3.239 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(SC)o1 ZINC000821123153 606281534 /nfs/dbraw/zinc/28/15/34/606281534.db2.gz LJHAJSDVVKCJKB-UHFFFAOYSA-N -1 3 358.427 3.256 20 0 FGADHM CC(C)(C)c1nc2ccc(NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)cc2s1 ZINC000819965348 606285699 /nfs/dbraw/zinc/28/56/99/606285699.db2.gz CNBDNZZWCFFKLP-UHFFFAOYSA-N -1 3 367.438 3.354 20 0 FGADHM CC(C)(C)c1nc2ccc(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)cc2s1 ZINC000819965348 606285700 /nfs/dbraw/zinc/28/57/00/606285700.db2.gz CNBDNZZWCFFKLP-UHFFFAOYSA-N -1 3 367.438 3.354 20 0 FGADHM COC(=O)[C@H](N[C@H](c1ccccc1)C(C)C)c1cccc(-c2nnn[n-]2)c1 ZINC000821642276 606314015 /nfs/dbraw/zinc/31/40/15/606314015.db2.gz GKEKFAJZWDNHNW-ZWKOTPCHSA-N -1 3 365.437 3.068 20 0 FGADHM COC(=O)[C@H](N[C@H](c1ccccc1)C(C)C)c1cccc(-c2nn[n-]n2)c1 ZINC000821642276 606314017 /nfs/dbraw/zinc/31/40/17/606314017.db2.gz GKEKFAJZWDNHNW-ZWKOTPCHSA-N -1 3 365.437 3.068 20 0 FGADHM C[C@@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)NCc1ccccc1Cl ZINC000820555553 606326941 /nfs/dbraw/zinc/32/69/41/606326941.db2.gz MJKNHJVTLKSVRT-LLVKDONJSA-N -1 3 373.869 3.317 20 0 FGADHM C[C@@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)NCc1ccccc1Cl ZINC000820555553 606326943 /nfs/dbraw/zinc/32/69/43/606326943.db2.gz MJKNHJVTLKSVRT-LLVKDONJSA-N -1 3 373.869 3.317 20 0 FGADHM O=C(CS[C@@H]1CCc2ccc(F)cc21)Nc1cccc(-c2nnn[n-]2)c1 ZINC000823054822 606334447 /nfs/dbraw/zinc/33/44/47/606334447.db2.gz DYWCONMWQVHXAC-MRXNPFEDSA-N -1 3 369.425 3.365 20 0 FGADHM O=C(CS[C@@H]1CCc2ccc(F)cc21)Nc1cccc(-c2nn[n-]n2)c1 ZINC000823054822 606334449 /nfs/dbraw/zinc/33/44/49/606334449.db2.gz DYWCONMWQVHXAC-MRXNPFEDSA-N -1 3 369.425 3.365 20 0 FGADHM CCC(=O)Nc1cccc(C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000820838471 606339357 /nfs/dbraw/zinc/33/93/57/606339357.db2.gz TUIJCAINZLPYSO-LBPRGKRZSA-N -1 3 365.393 3.133 20 0 FGADHM CCC(=O)Nc1cccc(C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000820838471 606339358 /nfs/dbraw/zinc/33/93/58/606339358.db2.gz TUIJCAINZLPYSO-LBPRGKRZSA-N -1 3 365.393 3.133 20 0 FGADHM CCS[C@@H]1CCCCN(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000821456922 606345702 /nfs/dbraw/zinc/34/57/02/606345702.db2.gz SOANRVRJFJASCW-GFCCVEGCSA-N -1 3 364.450 3.145 20 0 FGADHM CCS[C@@H]1CCCCN(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000821456922 606345704 /nfs/dbraw/zinc/34/57/04/606345704.db2.gz SOANRVRJFJASCW-GFCCVEGCSA-N -1 3 364.450 3.145 20 0 FGADHM C[C@H](OC(=O)C[C@H]1CCOc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000820488358 606347519 /nfs/dbraw/zinc/34/75/19/606347519.db2.gz MYRDZMVHNSZYQJ-XJKSGUPXSA-N -1 3 364.405 3.427 20 0 FGADHM C[C@H](OC(=O)C[C@H]1CCOc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000820488358 606347521 /nfs/dbraw/zinc/34/75/21/606347521.db2.gz MYRDZMVHNSZYQJ-XJKSGUPXSA-N -1 3 364.405 3.427 20 0 FGADHM C[C@H](OC(=O)c1cc(-c2ccccc2)on1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820502510 606347736 /nfs/dbraw/zinc/34/77/36/606347736.db2.gz SUWSJMDMDJHBBY-LBPRGKRZSA-N -1 3 361.361 3.440 20 0 FGADHM C[C@H](OC(=O)c1cc(-c2ccccc2)on1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820502510 606347738 /nfs/dbraw/zinc/34/77/38/606347738.db2.gz SUWSJMDMDJHBBY-LBPRGKRZSA-N -1 3 361.361 3.440 20 0 FGADHM Cc1c(C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)oc2c1C(=O)CCC2 ZINC000822021376 606349992 /nfs/dbraw/zinc/34/99/92/606349992.db2.gz YXTOCSSLQRBSME-LLVKDONJSA-N -1 3 366.377 3.205 20 0 FGADHM Cc1c(C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)oc2c1C(=O)CCC2 ZINC000822021376 606349994 /nfs/dbraw/zinc/34/99/94/606349994.db2.gz YXTOCSSLQRBSME-LLVKDONJSA-N -1 3 366.377 3.205 20 0 FGADHM C[C@@H](OC(=O)C[C@H]1OCCc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000820487753 606350470 /nfs/dbraw/zinc/35/04/70/606350470.db2.gz ILYMLAMKWGMCFX-FZKQIMNGSA-N -1 3 364.405 3.175 20 0 FGADHM C[C@@H](OC(=O)C[C@H]1OCCc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000820487753 606350471 /nfs/dbraw/zinc/35/04/71/606350471.db2.gz ILYMLAMKWGMCFX-FZKQIMNGSA-N -1 3 364.405 3.175 20 0 FGADHM C[C@@H](OC(=O)c1ccc(Cl)nc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000820512932 606352826 /nfs/dbraw/zinc/35/28/26/606352826.db2.gz PWUIZCVDXPSECG-MRVPVSSYSA-N -1 3 364.192 3.487 20 0 FGADHM C[C@@H](OC(=O)c1ccc(Cl)nc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000820512932 606352828 /nfs/dbraw/zinc/35/28/28/606352828.db2.gz PWUIZCVDXPSECG-MRVPVSSYSA-N -1 3 364.192 3.487 20 0 FGADHM C[C@@H](OC(=O)c1ccc(Cn2cccn2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820512049 606354510 /nfs/dbraw/zinc/35/45/10/606354510.db2.gz GCWZCMAPSGFOLF-CQSZACIVSA-N -1 3 374.404 3.030 20 0 FGADHM C[C@@H](OC(=O)c1ccc(Cn2cccn2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820512049 606354512 /nfs/dbraw/zinc/35/45/12/606354512.db2.gz GCWZCMAPSGFOLF-CQSZACIVSA-N -1 3 374.404 3.030 20 0 FGADHM COc1ccc(C)cc1CC(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821782904 606358132 /nfs/dbraw/zinc/35/81/32/606358132.db2.gz ROHSGEXMGYVNTN-CYBMUJFWSA-N -1 3 352.394 3.031 20 0 FGADHM COc1ccc(C)cc1CC(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821782904 606358135 /nfs/dbraw/zinc/35/81/35/606358135.db2.gz ROHSGEXMGYVNTN-CYBMUJFWSA-N -1 3 352.394 3.031 20 0 FGADHM CC[C@H](c1ccncc1)N(CC)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820944121 606358597 /nfs/dbraw/zinc/35/85/97/606358597.db2.gz IGCDOIKOACEGIC-MRXNPFEDSA-N -1 3 369.404 3.406 20 0 FGADHM CC[C@H](c1ccncc1)N(CC)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820944121 606358599 /nfs/dbraw/zinc/35/85/99/606358599.db2.gz IGCDOIKOACEGIC-MRXNPFEDSA-N -1 3 369.404 3.406 20 0 FGADHM CO[C@](C)(C(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000821672690 606360105 /nfs/dbraw/zinc/36/01/05/606360105.db2.gz URZFKQHQQISGEA-YJYMSZOUSA-N -1 3 352.394 3.033 20 0 FGADHM CO[C@](C)(C(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000821672690 606360107 /nfs/dbraw/zinc/36/01/07/606360107.db2.gz URZFKQHQQISGEA-YJYMSZOUSA-N -1 3 352.394 3.033 20 0 FGADHM COC[C@H](C)OC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000821682428 606396825 /nfs/dbraw/zinc/39/68/25/606396825.db2.gz FDYMFNBPQIZHLF-LBPRGKRZSA-N -1 3 370.434 3.210 20 0 FGADHM COC[C@H](C)OC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000821682428 606396827 /nfs/dbraw/zinc/39/68/27/606396827.db2.gz FDYMFNBPQIZHLF-LBPRGKRZSA-N -1 3 370.434 3.210 20 0 FGADHM COc1ccccc1C[C@@H]1CCCN1c1ccc(F)cc1-c1nnn[n-]1 ZINC000821889373 606401068 /nfs/dbraw/zinc/40/10/68/606401068.db2.gz AEHROCIXNVUBBV-HNNXBMFYSA-N -1 3 353.401 3.226 20 0 FGADHM COc1ccccc1C[C@@H]1CCCN1c1ccc(F)cc1-c1nn[n-]n1 ZINC000821889373 606401069 /nfs/dbraw/zinc/40/10/69/606401069.db2.gz AEHROCIXNVUBBV-HNNXBMFYSA-N -1 3 353.401 3.226 20 0 FGADHM CCCCc1nc(-c2ccc(Oc3ncccc3-c3nnn[n-]3)cc2)no1 ZINC000821077597 606430218 /nfs/dbraw/zinc/43/02/18/606430218.db2.gz MWNQNUDYRZHPIZ-UHFFFAOYSA-N -1 3 363.381 3.447 20 0 FGADHM Cc1cc([C@H](C)NC(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)ccc1F ZINC000822191754 606440890 /nfs/dbraw/zinc/44/08/90/606440890.db2.gz PPWMISNIFYXBMV-OLZOCXBDSA-N -1 3 368.416 3.436 20 0 FGADHM Cc1cc([C@H](C)NC(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)ccc1F ZINC000822191754 606440891 /nfs/dbraw/zinc/44/08/91/606440891.db2.gz PPWMISNIFYXBMV-OLZOCXBDSA-N -1 3 368.416 3.436 20 0 FGADHM C[C@@H]1CCCN1C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000820710098 606441033 /nfs/dbraw/zinc/44/10/33/606441033.db2.gz OBZBGOALXYJVTE-GFCCVEGCSA-N -1 3 368.466 3.289 20 0 FGADHM Clc1cc2c(cc1NCc1cccc(-c3nnn[n-]3)c1)OCCCO2 ZINC000822568406 606444318 /nfs/dbraw/zinc/44/43/18/606444318.db2.gz PMERSDBUNLRKNK-UHFFFAOYSA-N -1 3 357.801 3.294 20 0 FGADHM Clc1cc2c(cc1NCc1cccc(-c3nn[n-]n3)c1)OCCCO2 ZINC000822568406 606444320 /nfs/dbraw/zinc/44/43/20/606444320.db2.gz PMERSDBUNLRKNK-UHFFFAOYSA-N -1 3 357.801 3.294 20 0 FGADHM C[C@@H](OC(=O)c1cc(-c2nn[n-]n2)cs1)c1nc2cc(Cl)ccc2[nH]1 ZINC000820508069 606465863 /nfs/dbraw/zinc/46/58/63/606465863.db2.gz LXXMWMMQZLJOGD-SSDOTTSWSA-N -1 3 374.813 3.376 20 0 FGADHM O=C(OCc1ncc(-c2ccc(F)cc2)o1)c1cc(-c2nnn[n-]2)cs1 ZINC000823440126 606466171 /nfs/dbraw/zinc/46/61/71/606466171.db2.gz DJZMIDXHWBSYSN-UHFFFAOYSA-N -1 3 371.353 3.079 20 0 FGADHM O=C(OCc1ncc(-c2ccc(F)cc2)o1)c1cc(-c2nn[n-]n2)cs1 ZINC000823440126 606466173 /nfs/dbraw/zinc/46/61/73/606466173.db2.gz DJZMIDXHWBSYSN-UHFFFAOYSA-N -1 3 371.353 3.079 20 0 FGADHM CCN(Cc1ccccn1)C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000821230336 606470230 /nfs/dbraw/zinc/47/02/30/606470230.db2.gz HINUSKRATDDZOW-UHFFFAOYSA-N -1 3 373.873 3.134 20 0 FGADHM CCN(Cc1ccccn1)C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000821230336 606470231 /nfs/dbraw/zinc/47/02/31/606470231.db2.gz HINUSKRATDDZOW-UHFFFAOYSA-N -1 3 373.873 3.134 20 0 FGADHM CCOc1ccc2nc(NC(=O)c3cc(-c4nnn[n-]4)cs3)sc2c1 ZINC000821426976 606477172 /nfs/dbraw/zinc/47/71/72/606477172.db2.gz LIKBFFLBLDKXAJ-UHFFFAOYSA-N -1 3 372.435 3.189 20 0 FGADHM CCOc1ccc2nc(NC(=O)c3cc(-c4nn[n-]n4)cs3)sc2c1 ZINC000821426976 606477173 /nfs/dbraw/zinc/47/71/73/606477173.db2.gz LIKBFFLBLDKXAJ-UHFFFAOYSA-N -1 3 372.435 3.189 20 0 FGADHM O=C(NCc1ccc(Cl)cc1Cl)c1cc(-c2nnn[n-]2)cs1 ZINC000823250400 606477286 /nfs/dbraw/zinc/47/72/86/606477286.db2.gz WYJBPYRDRBMBBV-UHFFFAOYSA-N -1 3 354.222 3.165 20 0 FGADHM O=C(NCc1ccc(Cl)cc1Cl)c1cc(-c2nn[n-]n2)cs1 ZINC000823250400 606477288 /nfs/dbraw/zinc/47/72/88/606477288.db2.gz WYJBPYRDRBMBBV-UHFFFAOYSA-N -1 3 354.222 3.165 20 0 FGADHM CN(Cc1ccccc1F)Cc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000821614512 606479984 /nfs/dbraw/zinc/47/99/84/606479984.db2.gz JDTZTXYHULXULW-UHFFFAOYSA-N -1 3 363.343 3.239 20 0 FGADHM CN(Cc1ccccc1F)Cc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000821614512 606479987 /nfs/dbraw/zinc/47/99/87/606479987.db2.gz JDTZTXYHULXULW-UHFFFAOYSA-N -1 3 363.343 3.239 20 0 FGADHM CC(C)Oc1ccc([C@H](C)NC(=O)c2cc(-c3nnn[n-]3)cs2)cc1 ZINC000820155022 606490250 /nfs/dbraw/zinc/49/02/50/606490250.db2.gz HIRRRTAPQNLSMZ-NSHDSACASA-N -1 3 357.439 3.206 20 0 FGADHM CC(C)Oc1ccc([C@H](C)NC(=O)c2cc(-c3nn[n-]n3)cs2)cc1 ZINC000820155022 606490251 /nfs/dbraw/zinc/49/02/51/606490251.db2.gz HIRRRTAPQNLSMZ-NSHDSACASA-N -1 3 357.439 3.206 20 0 FGADHM Cc1c2ccccc2oc1[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000822021109 606495527 /nfs/dbraw/zinc/49/55/27/606495527.db2.gz WEJGGNGYUGLVLY-JTQLQIEISA-N -1 3 353.407 3.474 20 0 FGADHM Cc1c2ccccc2oc1[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000822021109 606495529 /nfs/dbraw/zinc/49/55/29/606495529.db2.gz WEJGGNGYUGLVLY-JTQLQIEISA-N -1 3 353.407 3.474 20 0 FGADHM CC[C@H]1CCc2nc(NC(=O)c3cc(-c4nnn[n-]4)cs3)sc2C1 ZINC000820989590 606495662 /nfs/dbraw/zinc/49/56/62/606495662.db2.gz WTPIWKMVWXIGJF-QMMMGPOBSA-N -1 3 360.468 3.152 20 0 FGADHM CC[C@H]1CCc2nc(NC(=O)c3cc(-c4nn[n-]n4)cs3)sc2C1 ZINC000820989590 606495663 /nfs/dbraw/zinc/49/56/63/606495663.db2.gz WTPIWKMVWXIGJF-QMMMGPOBSA-N -1 3 360.468 3.152 20 0 FGADHM COC(=O)c1cc(C(C)C)ccc1NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000821667174 606501055 /nfs/dbraw/zinc/50/10/55/606501055.db2.gz YCQKDRBINBWHGP-UHFFFAOYSA-N -1 3 371.422 3.091 20 0 FGADHM COC(=O)c1cc(C(C)C)ccc1NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000821667174 606501057 /nfs/dbraw/zinc/50/10/57/606501057.db2.gz YCQKDRBINBWHGP-UHFFFAOYSA-N -1 3 371.422 3.091 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1cc(Cl)cc2cccnc21 ZINC000823104530 606502073 /nfs/dbraw/zinc/50/20/73/606502073.db2.gz YOBJOSPXYFJGOZ-UHFFFAOYSA-N -1 3 364.796 3.250 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1cc(Cl)cc2cccnc21 ZINC000823104530 606502074 /nfs/dbraw/zinc/50/20/74/606502074.db2.gz YOBJOSPXYFJGOZ-UHFFFAOYSA-N -1 3 364.796 3.250 20 0 FGADHM CCN(Cc1ccccc1Cl)C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821230103 606505299 /nfs/dbraw/zinc/50/52/99/606505299.db2.gz BLMRWXFQJUPHIP-UHFFFAOYSA-N -1 3 355.829 3.111 20 0 FGADHM CCN(Cc1ccccc1Cl)C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821230103 606505301 /nfs/dbraw/zinc/50/53/01/606505301.db2.gz BLMRWXFQJUPHIP-UHFFFAOYSA-N -1 3 355.829 3.111 20 0 FGADHM CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820020977 606520207 /nfs/dbraw/zinc/52/02/07/606520207.db2.gz NSJFYGOMXCWIGQ-AWEZNQCLSA-N -1 3 359.430 3.064 20 0 FGADHM CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820020977 606520209 /nfs/dbraw/zinc/52/02/09/606520209.db2.gz NSJFYGOMXCWIGQ-AWEZNQCLSA-N -1 3 359.430 3.064 20 0 FGADHM O=C(c1cc(-c2nnn[n-]2)cs1)N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000823472402 606536457 /nfs/dbraw/zinc/53/64/57/606536457.db2.gz KWBUYLSLKAEPKW-CQSZACIVSA-N -1 3 357.414 3.435 20 0 FGADHM O=C(c1cc(-c2nn[n-]n2)cs1)N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000823472402 606536459 /nfs/dbraw/zinc/53/64/59/606536459.db2.gz KWBUYLSLKAEPKW-CQSZACIVSA-N -1 3 357.414 3.435 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N1CC2(CCC2)c2c1cccc2F ZINC000823087149 606546115 /nfs/dbraw/zinc/54/61/15/606546115.db2.gz IEPDVXLMYFKFFM-UHFFFAOYSA-N -1 3 363.396 3.017 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N1CC2(CCC2)c2c1cccc2F ZINC000823087149 606546117 /nfs/dbraw/zinc/54/61/17/606546117.db2.gz IEPDVXLMYFKFFM-UHFFFAOYSA-N -1 3 363.396 3.017 20 0 FGADHM CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820938460 606548284 /nfs/dbraw/zinc/54/82/84/606548284.db2.gz JERJLWYTBCLCAZ-HNNXBMFYSA-N -1 3 355.373 3.110 20 0 FGADHM CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820938460 606548286 /nfs/dbraw/zinc/54/82/86/606548286.db2.gz JERJLWYTBCLCAZ-HNNXBMFYSA-N -1 3 355.373 3.110 20 0 FGADHM C[C@H]1CCCN1C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000820710942 606573279 /nfs/dbraw/zinc/57/32/79/606573279.db2.gz TZQBWUUACYRMAE-LBPRGKRZSA-N -1 3 365.397 3.070 20 0 FGADHM C[C@H]1CCCN1C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000820710942 606573282 /nfs/dbraw/zinc/57/32/82/606573282.db2.gz TZQBWUUACYRMAE-LBPRGKRZSA-N -1 3 365.397 3.070 20 0 FGADHM O=C(NCC(F)F)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000823166874 606575352 /nfs/dbraw/zinc/57/53/52/606575352.db2.gz RLSBZFNJPAJNTJ-UHFFFAOYSA-N -1 3 360.324 3.046 20 0 FGADHM O=C(NCC(F)F)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000823166874 606575354 /nfs/dbraw/zinc/57/53/54/606575354.db2.gz RLSBZFNJPAJNTJ-UHFFFAOYSA-N -1 3 360.324 3.046 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1ccccc1CC(F)(F)F ZINC000823107643 606575491 /nfs/dbraw/zinc/57/54/91/606575491.db2.gz CXEOSDOZSBGDHN-UHFFFAOYSA-N -1 3 361.327 3.153 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1ccccc1CC(F)(F)F ZINC000823107643 606575493 /nfs/dbraw/zinc/57/54/93/606575493.db2.gz CXEOSDOZSBGDHN-UHFFFAOYSA-N -1 3 361.327 3.153 20 0 FGADHM CC1(CNC(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CCC1 ZINC000820618770 606577930 /nfs/dbraw/zinc/57/79/30/606577930.db2.gz NYERJOJUJLYONR-UHFFFAOYSA-N -1 3 354.336 3.197 20 0 FGADHM CC1(CNC(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CCC1 ZINC000820618770 606577932 /nfs/dbraw/zinc/57/79/32/606577932.db2.gz NYERJOJUJLYONR-UHFFFAOYSA-N -1 3 354.336 3.197 20 0 FGADHM O=C(NCC(F)F)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000823166008 606578875 /nfs/dbraw/zinc/57/88/75/606578875.db2.gz DLLOVOWDLINNBW-UHFFFAOYSA-N -1 3 360.324 3.046 20 0 FGADHM O=C(NCC(F)F)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000823166008 606578877 /nfs/dbraw/zinc/57/88/77/606578877.db2.gz DLLOVOWDLINNBW-UHFFFAOYSA-N -1 3 360.324 3.046 20 0 FGADHM C[C@@H]1CCN(C(=O)Cc2cccc(-c3nnn[n-]3)c2)[C@@H]1c1cccc(F)c1 ZINC000820716284 606580930 /nfs/dbraw/zinc/58/09/30/606580930.db2.gz IGUGYFHSNLWPFZ-YJYMSZOUSA-N -1 3 365.412 3.158 20 0 FGADHM C[C@@H]1CCN(C(=O)Cc2cccc(-c3nn[n-]n3)c2)[C@@H]1c1cccc(F)c1 ZINC000820716284 606580931 /nfs/dbraw/zinc/58/09/31/606580931.db2.gz IGUGYFHSNLWPFZ-YJYMSZOUSA-N -1 3 365.412 3.158 20 0 FGADHM Cc1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)cc2)c(OC(C)(C)C)c1 ZINC000822238667 606622753 /nfs/dbraw/zinc/62/27/53/606622753.db2.gz QAWXRCCRJCTTIB-UHFFFAOYSA-N -1 3 365.437 3.282 20 0 FGADHM Cc1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)cc2)c(OC(C)(C)C)c1 ZINC000822238667 606622754 /nfs/dbraw/zinc/62/27/54/606622754.db2.gz QAWXRCCRJCTTIB-UHFFFAOYSA-N -1 3 365.437 3.282 20 0 FGADHM O=C(Nc1ccc(Cl)cc1F)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823332992 606661642 /nfs/dbraw/zinc/66/16/42/606661642.db2.gz WRFIWDCFBBDKGR-UHFFFAOYSA-N -1 3 353.691 3.190 20 0 FGADHM O=C(Nc1ccc(Cl)cc1F)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823332992 606661643 /nfs/dbraw/zinc/66/16/43/606661643.db2.gz WRFIWDCFBBDKGR-UHFFFAOYSA-N -1 3 353.691 3.190 20 0 FGADHM Cc1ccc(CCCNC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c(C)c1 ZINC000822236384 606662933 /nfs/dbraw/zinc/66/29/33/606662933.db2.gz WYRMFFHRWGPVLF-UHFFFAOYSA-N -1 3 371.391 3.124 20 0 FGADHM Cc1ccc(CCCNC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c(C)c1 ZINC000822236384 606662934 /nfs/dbraw/zinc/66/29/34/606662934.db2.gz WYRMFFHRWGPVLF-UHFFFAOYSA-N -1 3 371.391 3.124 20 0 FGADHM COc1ccc(Cl)cc1NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821828052 606662941 /nfs/dbraw/zinc/66/29/41/606662941.db2.gz OLHQXGSAAWYJCZ-UHFFFAOYSA-N -1 3 365.727 3.059 20 0 FGADHM COc1ccc(Cl)cc1NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821828052 606662942 /nfs/dbraw/zinc/66/29/42/606662942.db2.gz OLHQXGSAAWYJCZ-UHFFFAOYSA-N -1 3 365.727 3.059 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[C@@H]1C[C@@H]1Cc1ccccc1 ZINC000823303882 606665537 /nfs/dbraw/zinc/66/55/37/606665537.db2.gz XOZSCQWSIJWGMN-SWLSCSKDSA-N -1 3 353.813 3.337 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)[C@@H]1C[C@@H]1Cc1ccccc1 ZINC000823303882 606665538 /nfs/dbraw/zinc/66/55/38/606665538.db2.gz XOZSCQWSIJWGMN-SWLSCSKDSA-N -1 3 353.813 3.337 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)CCO[C@@H](C)CC(C)C ZINC000821099422 606667855 /nfs/dbraw/zinc/66/78/55/606667855.db2.gz HBKGROVZODPYOV-INIZCTEOSA-N -1 3 373.501 3.447 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)CCO[C@@H](C)CC(C)C ZINC000821099422 606667856 /nfs/dbraw/zinc/66/78/56/606667856.db2.gz HBKGROVZODPYOV-INIZCTEOSA-N -1 3 373.501 3.447 20 0 FGADHM O=C(N[C@@H](c1ccccc1)C1CC1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823139470 606668921 /nfs/dbraw/zinc/66/89/21/606668921.db2.gz FPTIISTXMBWUIW-INIZCTEOSA-N -1 3 355.348 3.026 20 0 FGADHM O=C(N[C@@H](c1ccccc1)C1CC1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823139470 606668922 /nfs/dbraw/zinc/66/89/22/606668922.db2.gz FPTIISTXMBWUIW-INIZCTEOSA-N -1 3 355.348 3.026 20 0 FGADHM O=C(c1c(F)cc(-c2nnn[n-]2)cc1F)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000823455158 606669318 /nfs/dbraw/zinc/66/93/18/606669318.db2.gz XLUPVYMUTQZREL-OAHLLOKOSA-N -1 3 373.338 3.261 20 0 FGADHM O=C(c1c(F)cc(-c2nn[n-]n2)cc1F)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000823455158 606669319 /nfs/dbraw/zinc/66/93/19/606669319.db2.gz XLUPVYMUTQZREL-OAHLLOKOSA-N -1 3 373.338 3.261 20 0 FGADHM CCOc1ccc(N(CC)C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1 ZINC000821421641 606671088 /nfs/dbraw/zinc/67/10/88/606671088.db2.gz BCAGIVYCTNUHBK-UHFFFAOYSA-N -1 3 373.363 3.210 20 0 FGADHM CCOc1ccc(N(CC)C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1 ZINC000821421641 606671089 /nfs/dbraw/zinc/67/10/89/606671089.db2.gz BCAGIVYCTNUHBK-UHFFFAOYSA-N -1 3 373.363 3.210 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H]1C[C@@H]1Cc1ccccc1 ZINC000821400549 606673805 /nfs/dbraw/zinc/67/38/05/606673805.db2.gz LDDFDTWIZXCXEZ-JKSUJKDBSA-N -1 3 363.421 3.083 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1C[C@@H]1Cc1ccccc1 ZINC000821400549 606673806 /nfs/dbraw/zinc/67/38/06/606673806.db2.gz LDDFDTWIZXCXEZ-JKSUJKDBSA-N -1 3 363.421 3.083 20 0 FGADHM COC[C@@H](C)CC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821681783 606674505 /nfs/dbraw/zinc/67/45/05/606674505.db2.gz RVZFANQGYVIQFX-ZDUSSCGKSA-N -1 3 367.409 3.270 20 0 FGADHM COC[C@@H](C)CC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821681783 606674506 /nfs/dbraw/zinc/67/45/06/606674506.db2.gz RVZFANQGYVIQFX-ZDUSSCGKSA-N -1 3 367.409 3.270 20 0 FGADHM C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820643446 606686731 /nfs/dbraw/zinc/68/67/31/606686731.db2.gz WRSAPSPEBOCYSE-RISCZKNCSA-N -1 3 369.375 3.163 20 0 FGADHM C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820643446 606686732 /nfs/dbraw/zinc/68/67/32/606686732.db2.gz WRSAPSPEBOCYSE-RISCZKNCSA-N -1 3 369.375 3.163 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CCO[C@H](C)CC(C)C ZINC000821118225 606697059 /nfs/dbraw/zinc/69/70/59/606697059.db2.gz JEKSVSDBPYCSBO-CQSZACIVSA-N -1 3 374.489 3.468 20 0 FGADHM Cc1ccc(NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)c(C)n1 ZINC000822248983 606698139 /nfs/dbraw/zinc/69/81/39/606698139.db2.gz WVXFNLCFMDHYKF-UHFFFAOYSA-N -1 3 363.425 3.075 20 0 FGADHM Cc1ccc(NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)c(C)n1 ZINC000822248983 606698141 /nfs/dbraw/zinc/69/81/41/606698141.db2.gz WVXFNLCFMDHYKF-UHFFFAOYSA-N -1 3 363.425 3.075 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NCc1nnc(-c2ccc(Cl)cc2)o1 ZINC000822221497 606703420 /nfs/dbraw/zinc/70/34/20/606703420.db2.gz RBIVCXPMFQQXHZ-UHFFFAOYSA-N -1 3 367.800 3.491 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NCc1nnc(-c2ccc(Cl)cc2)o1 ZINC000822221497 606703421 /nfs/dbraw/zinc/70/34/21/606703421.db2.gz RBIVCXPMFQQXHZ-UHFFFAOYSA-N -1 3 367.800 3.491 20 0 FGADHM CCOCCOc1cc(C)ccc1CNc1cccc(F)c1-c1nnn[n-]1 ZINC000821383360 606724536 /nfs/dbraw/zinc/72/45/36/606724536.db2.gz FMOJVARMQQMXHE-UHFFFAOYSA-N -1 3 371.416 3.342 20 0 FGADHM CCOCCOc1cc(C)ccc1CNc1cccc(F)c1-c1nn[n-]n1 ZINC000821383360 606724537 /nfs/dbraw/zinc/72/45/37/606724537.db2.gz FMOJVARMQQMXHE-UHFFFAOYSA-N -1 3 371.416 3.342 20 0 FGADHM C[C@H](Nc1ccc(Cl)cc1-c1nnn[n-]1)c1cn(-c2ccccc2)nn1 ZINC000820456140 606728555 /nfs/dbraw/zinc/72/85/55/606728555.db2.gz QKCNPNJRRFQBRE-NSHDSACASA-N -1 3 366.816 3.274 20 0 FGADHM C[C@H](Nc1ccc(Cl)cc1-c1nn[n-]n1)c1cn(-c2ccccc2)nn1 ZINC000820456140 606728557 /nfs/dbraw/zinc/72/85/57/606728557.db2.gz QKCNPNJRRFQBRE-NSHDSACASA-N -1 3 366.816 3.274 20 0 FGADHM FC(F)(F)c1cc(N[C@@H]2CCC[C@@H]3OCC[C@@H]32)ccc1-c1nnn[n-]1 ZINC000822723635 606729871 /nfs/dbraw/zinc/72/98/71/606729871.db2.gz IXERQOSHIHQSLN-BNOWGMLFSA-N -1 3 353.348 3.255 20 0 FGADHM FC(F)(F)c1cc(N[C@@H]2CCC[C@@H]3OCC[C@@H]32)ccc1-c1nn[n-]n1 ZINC000822723635 606729873 /nfs/dbraw/zinc/72/98/73/606729873.db2.gz IXERQOSHIHQSLN-BNOWGMLFSA-N -1 3 353.348 3.255 20 0 FGADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)N1CCCc2c(F)ccc(F)c21 ZINC000822979035 606746229 /nfs/dbraw/zinc/74/62/29/606746229.db2.gz VRUVVLWDKHPIPC-UHFFFAOYSA-N -1 3 369.375 3.057 20 0 FGADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)N1CCCc2c(F)ccc(F)c21 ZINC000822979035 606746230 /nfs/dbraw/zinc/74/62/30/606746230.db2.gz VRUVVLWDKHPIPC-UHFFFAOYSA-N -1 3 369.375 3.057 20 0 FGADHM C[C@@H](CSc1ccc(F)cc1)C(=O)OCc1ccccc1-c1nnn[n-]1 ZINC000820293532 606746985 /nfs/dbraw/zinc/74/69/85/606746985.db2.gz MGDMECNGSICHHA-LBPRGKRZSA-N -1 3 372.425 3.477 20 0 FGADHM C[C@@H](CSc1ccc(F)cc1)C(=O)OCc1ccccc1-c1nn[n-]n1 ZINC000820293532 606746986 /nfs/dbraw/zinc/74/69/86/606746986.db2.gz MGDMECNGSICHHA-LBPRGKRZSA-N -1 3 372.425 3.477 20 0 FGADHM C[C@H](CSc1ccc(F)cc1)C(=O)OCc1cccc(-c2nn[n-]n2)c1 ZINC000820294884 606749048 /nfs/dbraw/zinc/74/90/48/606749048.db2.gz WCEOJQABYNUKLY-GFCCVEGCSA-N -1 3 372.425 3.477 20 0 FGADHM C[C@H](CSc1ccc(F)cc1)C(=O)OCc1cccc(-c2nnn[n-]2)c1 ZINC000820294884 606749046 /nfs/dbraw/zinc/74/90/46/606749046.db2.gz WCEOJQABYNUKLY-GFCCVEGCSA-N -1 3 372.425 3.477 20 0 FGADHM Cc1ccc(Cl)c(NCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)c1 ZINC000822240040 606777017 /nfs/dbraw/zinc/77/70/17/606777017.db2.gz PJVKSTCJQLWVBQ-UHFFFAOYSA-N -1 3 367.800 3.491 20 0 FGADHM Cc1ccc(Cl)c(NCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)c1 ZINC000822240040 606777018 /nfs/dbraw/zinc/77/70/18/606777018.db2.gz PJVKSTCJQLWVBQ-UHFFFAOYSA-N -1 3 367.800 3.491 20 0 FGADHM Cc1ccc(Cl)c(N[C@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)c1 ZINC000822240032 606777151 /nfs/dbraw/zinc/77/71/51/606777151.db2.gz PFDPZJROFCJHAH-HNNXBMFYSA-N -1 3 368.828 3.046 20 0 FGADHM Cc1ccc(Cl)c(N[C@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)c1 ZINC000822240032 606777152 /nfs/dbraw/zinc/77/71/52/606777152.db2.gz PFDPZJROFCJHAH-HNNXBMFYSA-N -1 3 368.828 3.046 20 0 FGADHM Cc1cc(C)c(NC(=O)COc2cc(Cl)ccc2-c2nnn[n-]2)c(C)c1 ZINC000822193940 606780657 /nfs/dbraw/zinc/78/06/57/606780657.db2.gz ATLWIAFZNHNKSQ-UHFFFAOYSA-N -1 3 371.828 3.463 20 0 FGADHM Cc1cc(C)c(NC(=O)COc2cc(Cl)ccc2-c2nn[n-]n2)c(C)c1 ZINC000822193940 606780659 /nfs/dbraw/zinc/78/06/59/606780659.db2.gz ATLWIAFZNHNKSQ-UHFFFAOYSA-N -1 3 371.828 3.463 20 0 FGADHM Clc1ccc(-c2nnn[n-]2)c(OCc2nc(-c3ccccc3)no2)c1 ZINC000822574115 606781799 /nfs/dbraw/zinc/78/17/99/606781799.db2.gz OJEQFICPOFVENF-UHFFFAOYSA-N -1 3 354.757 3.149 20 0 FGADHM Clc1ccc(-c2nn[n-]n2)c(OCc2nc(-c3ccccc3)no2)c1 ZINC000822574115 606781800 /nfs/dbraw/zinc/78/18/00/606781800.db2.gz OJEQFICPOFVENF-UHFFFAOYSA-N -1 3 354.757 3.149 20 0 FGADHM COC(=O)c1ccc(CSc2nc(C)cc(C)c2-c2nnn[n-]2)cc1F ZINC000821669491 606790886 /nfs/dbraw/zinc/79/08/86/606790886.db2.gz NZUSJNRRGJVFBP-UHFFFAOYSA-N -1 3 373.413 3.097 20 0 FGADHM COC(=O)c1ccc(CSc2nc(C)cc(C)c2-c2nn[n-]n2)cc1F ZINC000821669491 606790887 /nfs/dbraw/zinc/79/08/87/606790887.db2.gz NZUSJNRRGJVFBP-UHFFFAOYSA-N -1 3 373.413 3.097 20 0 FGADHM CC(C)c1cccc(C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)n1 ZINC000820191977 606810893 /nfs/dbraw/zinc/81/08/93/606810893.db2.gz CKYFCENKAPFZAU-UHFFFAOYSA-N -1 3 353.430 3.194 20 0 FGADHM CC(C)c1cccc(C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)n1 ZINC000820191977 606810895 /nfs/dbraw/zinc/81/08/95/606810895.db2.gz CKYFCENKAPFZAU-UHFFFAOYSA-N -1 3 353.430 3.194 20 0 FGADHM Cc1cc(NCCc2ccncc2)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000822209752 606821999 /nfs/dbraw/zinc/82/19/99/606821999.db2.gz VIKRRQSCAVJWOY-UHFFFAOYSA-N -1 3 370.420 3.026 20 0 FGADHM Cc1cc(NCCc2ccncc2)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC000822209752 606822001 /nfs/dbraw/zinc/82/20/01/606822001.db2.gz VIKRRQSCAVJWOY-UHFFFAOYSA-N -1 3 370.420 3.026 20 0 FGADHM CC(C)(C)[C@H](NC(=O)CNc1cccc(-c2nnn[n-]2)c1)c1cccs1 ZINC000819898681 606825977 /nfs/dbraw/zinc/82/59/77/606825977.db2.gz HTKRRUYOVBAVGJ-MRXNPFEDSA-N -1 3 370.482 3.244 20 0 FGADHM CC(C)(C)[C@H](NC(=O)CNc1cccc(-c2nn[n-]n2)c1)c1cccs1 ZINC000819898681 606825978 /nfs/dbraw/zinc/82/59/78/606825978.db2.gz HTKRRUYOVBAVGJ-MRXNPFEDSA-N -1 3 370.482 3.244 20 0 FGADHM COC[C@@H](C)OC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000821683133 606839675 /nfs/dbraw/zinc/83/96/75/606839675.db2.gz WMAMUNGXKPGKSC-CYBMUJFWSA-N -1 3 368.393 3.159 20 0 FGADHM COC[C@@H](C)OC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000821683133 606839676 /nfs/dbraw/zinc/83/96/76/606839676.db2.gz WMAMUNGXKPGKSC-CYBMUJFWSA-N -1 3 368.393 3.159 20 0 FGADHM CCc1noc([C@H](C)SCCCOc2cccc(-c3nnn[n-]3)c2)n1 ZINC000821554495 606843043 /nfs/dbraw/zinc/84/30/43/606843043.db2.gz NLFBOVOYKIWPGX-NSHDSACASA-N -1 3 360.443 3.075 20 0 FGADHM CCc1noc([C@H](C)SCCCOc2cccc(-c3nn[n-]n3)c2)n1 ZINC000821554495 606843044 /nfs/dbraw/zinc/84/30/44/606843044.db2.gz NLFBOVOYKIWPGX-NSHDSACASA-N -1 3 360.443 3.075 20 0 FGADHM COC(=O)c1ccc(CSCc2cccc(-c3nnn[n-]3)c2)cc1F ZINC000821669382 606849684 /nfs/dbraw/zinc/84/96/84/606849684.db2.gz JBUJUBJLGUAEQR-UHFFFAOYSA-N -1 3 358.398 3.226 20 0 FGADHM COC(=O)c1ccc(CSCc2cccc(-c3nn[n-]n3)c2)cc1F ZINC000821669382 606849686 /nfs/dbraw/zinc/84/96/86/606849686.db2.gz JBUJUBJLGUAEQR-UHFFFAOYSA-N -1 3 358.398 3.226 20 0 FGADHM C[C@@H](Sc1ccc(-c2nnn[n-]2)cc1Cl)C(=O)NC1CCCC1 ZINC000820549604 606851007 /nfs/dbraw/zinc/85/10/07/606851007.db2.gz PKNWFRNJIWFTRE-SECBINFHSA-N -1 3 351.863 3.060 20 0 FGADHM C[C@@H](Sc1ccc(-c2nn[n-]n2)cc1Cl)C(=O)NC1CCCC1 ZINC000820549604 606851008 /nfs/dbraw/zinc/85/10/08/606851008.db2.gz PKNWFRNJIWFTRE-SECBINFHSA-N -1 3 351.863 3.060 20 0 FGADHM C[C@@H](Sc1ccc(-c2nnn[n-]2)cc1Cl)C(=O)N1CCCCCC1 ZINC000820550793 606851058 /nfs/dbraw/zinc/85/10/58/606851058.db2.gz YYJVGBYQERZOGI-LLVKDONJSA-N -1 3 365.890 3.403 20 0 FGADHM C[C@@H](Sc1ccc(-c2nn[n-]n2)cc1Cl)C(=O)N1CCCCCC1 ZINC000820550793 606851059 /nfs/dbraw/zinc/85/10/59/606851059.db2.gz YYJVGBYQERZOGI-LLVKDONJSA-N -1 3 365.890 3.403 20 0 FGADHM C[C@@H](NC(=O)c1cncc(-c2ccccc2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820403748 606860924 /nfs/dbraw/zinc/86/09/24/606860924.db2.gz MBEMJCBFIAYDDA-CQSZACIVSA-N -1 3 370.416 3.420 20 0 FGADHM C[C@@H](NC(=O)c1cncc(-c2ccccc2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820403748 606860925 /nfs/dbraw/zinc/86/09/25/606860925.db2.gz MBEMJCBFIAYDDA-CQSZACIVSA-N -1 3 370.416 3.420 20 0 FGADHM Cc1cc(C)c(-c2nnn[n-]2)c(SCc2ccn(C3CCCC3)n2)n1 ZINC000822193471 606865620 /nfs/dbraw/zinc/86/56/20/606865620.db2.gz YWAVGIHDIUESSC-UHFFFAOYSA-N -1 3 355.471 3.482 20 0 FGADHM Cc1cc(C)c(-c2nn[n-]n2)c(SCc2ccn(C3CCCC3)n2)n1 ZINC000822193471 606865622 /nfs/dbraw/zinc/86/56/22/606865622.db2.gz YWAVGIHDIUESSC-UHFFFAOYSA-N -1 3 355.471 3.482 20 0 FGADHM C[C@@H]1CC[C@@H](C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)cc2)O1 ZINC000820675689 606871786 /nfs/dbraw/zinc/87/17/86/606871786.db2.gz KHIJKHVTZVPDHU-PXAZEXFGSA-N -1 3 365.393 3.165 20 0 FGADHM C[C@@H]1CC[C@@H](C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)cc2)O1 ZINC000820675689 606871788 /nfs/dbraw/zinc/87/17/88/606871788.db2.gz KHIJKHVTZVPDHU-PXAZEXFGSA-N -1 3 365.393 3.165 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cccc(OC(F)(F)F)c1 ZINC000822220368 606872147 /nfs/dbraw/zinc/87/21/47/606872147.db2.gz NWPYOLOTCQLVMH-UHFFFAOYSA-N -1 3 363.299 3.326 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cccc(OC(F)(F)F)c1 ZINC000822220368 606872149 /nfs/dbraw/zinc/87/21/49/606872149.db2.gz NWPYOLOTCQLVMH-UHFFFAOYSA-N -1 3 363.299 3.326 20 0 FGADHM O=C(OCc1ccccc1-c1nnn[n-]1)c1cncc(-c2ccccc2)c1 ZINC000823431257 606889260 /nfs/dbraw/zinc/88/92/60/606889260.db2.gz OCKFVZHSKNWEBL-UHFFFAOYSA-N -1 3 357.373 3.286 20 0 FGADHM O=C(OCc1ccccc1-c1nn[n-]n1)c1cncc(-c2ccccc2)c1 ZINC000823431257 606889262 /nfs/dbraw/zinc/88/92/62/606889262.db2.gz OCKFVZHSKNWEBL-UHFFFAOYSA-N -1 3 357.373 3.286 20 0 FGADHM C[C@@]1(COC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)CCCO1 ZINC000820623231 606898847 /nfs/dbraw/zinc/89/88/47/606898847.db2.gz JBWBMZRJSOLNHX-FQEVSTJZSA-N -1 3 364.405 3.260 20 0 FGADHM C[C@@]1(COC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)CCCO1 ZINC000820623231 606898849 /nfs/dbraw/zinc/89/88/49/606898849.db2.gz JBWBMZRJSOLNHX-FQEVSTJZSA-N -1 3 364.405 3.260 20 0 FGADHM O[C@@H](CNc1ccc(C(F)(F)F)cc1-c1nnn[n-]1)c1ccccc1F ZINC000823689320 606911804 /nfs/dbraw/zinc/91/18/04/606911804.db2.gz DRGQGCMMDVGGEB-AWEZNQCLSA-N -1 3 367.306 3.170 20 0 FGADHM O[C@@H](CNc1ccc(C(F)(F)F)cc1-c1nn[n-]n1)c1ccccc1F ZINC000823689320 606911805 /nfs/dbraw/zinc/91/18/05/606911805.db2.gz DRGQGCMMDVGGEB-AWEZNQCLSA-N -1 3 367.306 3.170 20 0 FGADHM O=C1OC(c2ccc(-c3nnn[n-]3)cc2)=NC1=Cc1cc2ccccc2s1 ZINC000823546202 606916665 /nfs/dbraw/zinc/91/66/65/606916665.db2.gz AMWFRIDSWKKIFY-GDNBJRDFSA-N -1 3 373.397 3.426 20 0 FGADHM O=C1OC(c2ccc(-c3nn[n-]n3)cc2)=NC1=Cc1cc2ccccc2s1 ZINC000823546202 606916667 /nfs/dbraw/zinc/91/66/67/606916667.db2.gz AMWFRIDSWKKIFY-GDNBJRDFSA-N -1 3 373.397 3.426 20 0 FGADHM O[C@@H](CNc1ccc(C(F)(F)F)cc1-c1nnn[n-]1)c1cccc(F)c1 ZINC000823689496 606924930 /nfs/dbraw/zinc/92/49/30/606924930.db2.gz GLMSQRBHGIYKLG-AWEZNQCLSA-N -1 3 367.306 3.170 20 0 FGADHM O[C@@H](CNc1ccc(C(F)(F)F)cc1-c1nn[n-]n1)c1cccc(F)c1 ZINC000823689496 606924931 /nfs/dbraw/zinc/92/49/31/606924931.db2.gz GLMSQRBHGIYKLG-AWEZNQCLSA-N -1 3 367.306 3.170 20 0 FGADHM CCOC(=O)C=Cc1ccc(NCc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000821325058 606925245 /nfs/dbraw/zinc/92/52/45/606925245.db2.gz BAUAPJVJDOGWNZ-POHAHGRESA-N -1 3 367.384 3.194 20 0 FGADHM CCOC(=O)C=Cc1ccc(NCc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000821325058 606925247 /nfs/dbraw/zinc/92/52/47/606925247.db2.gz BAUAPJVJDOGWNZ-POHAHGRESA-N -1 3 367.384 3.194 20 0 FGADHM C[C@@]1(CNC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CCCS1 ZINC000820618750 606931938 /nfs/dbraw/zinc/93/19/38/606931938.db2.gz NMDPOOWNCCRZOK-AWEZNQCLSA-N -1 3 368.919 3.092 20 0 FGADHM C[C@@]1(CNC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CCCS1 ZINC000820618750 606931939 /nfs/dbraw/zinc/93/19/39/606931939.db2.gz NMDPOOWNCCRZOK-AWEZNQCLSA-N -1 3 368.919 3.092 20 0 FGADHM C[C@](O)(CNc1ccc(C(F)(F)F)cc1-c1nnn[n-]1)c1ccccc1 ZINC000820467608 606935153 /nfs/dbraw/zinc/93/51/53/606935153.db2.gz KKZRWMGFNGPUGU-INIZCTEOSA-N -1 3 363.343 3.205 20 0 FGADHM C[C@](O)(CNc1ccc(C(F)(F)F)cc1-c1nn[n-]n1)c1ccccc1 ZINC000820467608 606935155 /nfs/dbraw/zinc/93/51/55/606935155.db2.gz KKZRWMGFNGPUGU-INIZCTEOSA-N -1 3 363.343 3.205 20 0 FGADHM CCc1nnc(N2C[C@H](c3ccccc3)C[C@@H]2C)c(-c2nnn[n-]2)c1CC ZINC000821520882 606935446 /nfs/dbraw/zinc/93/54/46/606935446.db2.gz BLPSOWNCFAGCJS-DZGCQCFKSA-N -1 3 363.469 3.164 20 0 FGADHM CCc1nnc(N2C[C@H](c3ccccc3)C[C@@H]2C)c(-c2nn[n-]n2)c1CC ZINC000821520882 606935447 /nfs/dbraw/zinc/93/54/47/606935447.db2.gz BLPSOWNCFAGCJS-DZGCQCFKSA-N -1 3 363.469 3.164 20 0 FGADHM Cc1ccccc1[C@@H](O)CNc1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000822352432 606936605 /nfs/dbraw/zinc/93/66/05/606936605.db2.gz ZNZZIYQIQAMMSE-HNNXBMFYSA-N -1 3 363.343 3.339 20 0 FGADHM Cc1ccccc1[C@@H](O)CNc1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000822352432 606936607 /nfs/dbraw/zinc/93/66/07/606936607.db2.gz ZNZZIYQIQAMMSE-HNNXBMFYSA-N -1 3 363.343 3.339 20 0 FGADHM Cc1cccc([C@@H](C)OC(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)c1 ZINC000737387436 606952669 /nfs/dbraw/zinc/95/26/69/606952669.db2.gz ILYCATBWJVJEPA-KGLIPLIRSA-N -1 3 352.394 3.247 20 0 FGADHM Cc1cccc([C@@H](C)OC(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)c1 ZINC000737387436 606952671 /nfs/dbraw/zinc/95/26/71/606952671.db2.gz ILYCATBWJVJEPA-KGLIPLIRSA-N -1 3 352.394 3.247 20 0 FGADHM COc1ccc(C=CC(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)cc1 ZINC000821787227 606959704 /nfs/dbraw/zinc/95/97/04/606959704.db2.gz QHTKVUKAWLVGBE-YHYXMXQVSA-N -1 3 369.812 3.205 20 0 FGADHM COc1ccc(C=CC(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)cc1 ZINC000821787227 606959706 /nfs/dbraw/zinc/95/97/06/606959706.db2.gz QHTKVUKAWLVGBE-YHYXMXQVSA-N -1 3 369.812 3.205 20 0 FGADHM Cc1nc2cc(F)ccc2cc1C(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC000822459867 606975570 /nfs/dbraw/zinc/97/55/70/606975570.db2.gz ZNUKBUAPOSZGIE-UHFFFAOYSA-N -1 3 362.368 3.139 20 0 FGADHM Cc1nc2cc(F)ccc2cc1C(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC000822459867 606975571 /nfs/dbraw/zinc/97/55/71/606975571.db2.gz ZNUKBUAPOSZGIE-UHFFFAOYSA-N -1 3 362.368 3.139 20 0 FGADHM c1cc2nsnc2c(CSCCOc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000823752324 606988399 /nfs/dbraw/zinc/98/83/99/606988399.db2.gz XKEJUOYCNPMNGC-UHFFFAOYSA-N -1 3 370.463 3.184 20 0 FGADHM Cc1coc(-c2cccc(NC(=O)c3cc(-c4nnn[n-]4)cs3)c2)n1 ZINC000822403529 606989424 /nfs/dbraw/zinc/98/94/24/606989424.db2.gz QVDNKOCBHZMCCL-UHFFFAOYSA-N -1 3 352.379 3.144 20 0 FGADHM Cc1coc(-c2cccc(NC(=O)c3cc(-c4nn[n-]n4)cs3)c2)n1 ZINC000822403529 606989426 /nfs/dbraw/zinc/98/94/26/606989426.db2.gz QVDNKOCBHZMCCL-UHFFFAOYSA-N -1 3 352.379 3.144 20 0 FGADHM Fc1ccc(OCc2noc(C=Cc3ccccc3-c3nnn[n-]3)n2)cc1 ZINC000822782683 606991389 /nfs/dbraw/zinc/99/13/89/606991389.db2.gz AVQHPONNSXYVRJ-BJMVGYQFSA-N -1 3 364.340 3.138 20 0 FGADHM Fc1ccc(OCc2noc(C=Cc3ccccc3-c3nn[n-]n3)n2)cc1 ZINC000822782683 606991391 /nfs/dbraw/zinc/99/13/91/606991391.db2.gz AVQHPONNSXYVRJ-BJMVGYQFSA-N -1 3 364.340 3.138 20 0 FGADHM Cn1c(Cl)c(Cl)cc1C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822596702 606993777 /nfs/dbraw/zinc/99/37/77/606993777.db2.gz QDHUZSQYBXQLHB-UHFFFAOYSA-N -1 3 370.171 3.008 20 0 FGADHM Cn1c(Cl)c(Cl)cc1C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822596702 606993778 /nfs/dbraw/zinc/99/37/78/606993778.db2.gz QDHUZSQYBXQLHB-UHFFFAOYSA-N -1 3 370.171 3.008 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(Cl)nc1Cl ZINC000823426839 606997904 /nfs/dbraw/zinc/99/79/04/606997904.db2.gz NWIYLNATHJCGOQ-UHFFFAOYSA-N -1 3 368.155 3.065 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(Cl)nc1Cl ZINC000823426839 606997905 /nfs/dbraw/zinc/99/79/05/606997905.db2.gz NWIYLNATHJCGOQ-UHFFFAOYSA-N -1 3 368.155 3.065 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)[C@@H]1CCSc2ccccc21 ZINC000823422377 607002756 /nfs/dbraw/zinc/00/27/56/607002756.db2.gz SMBPUKCDIOCASH-CYBMUJFWSA-N -1 3 370.409 3.329 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)[C@@H]1CCSc2ccccc21 ZINC000823422377 607002758 /nfs/dbraw/zinc/00/27/58/607002758.db2.gz SMBPUKCDIOCASH-CYBMUJFWSA-N -1 3 370.409 3.329 20 0 FGADHM c1cc(-c2nnn[n-]2)oc1CN[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000823802483 607008377 /nfs/dbraw/zinc/00/83/77/607008377.db2.gz QDWVJLKRICYUSJ-OAHLLOKOSA-N -1 3 351.410 3.386 20 0 FGADHM c1cc(-c2nn[n-]n2)oc1CN[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000823802483 607008379 /nfs/dbraw/zinc/00/83/79/607008379.db2.gz QDWVJLKRICYUSJ-OAHLLOKOSA-N -1 3 351.410 3.386 20 0 FGADHM Fc1ccc(CSc2nccn2-c2ccccc2)cc1-c1nnn[n-]1 ZINC000822775380 607009200 /nfs/dbraw/zinc/00/92/00/607009200.db2.gz WZYFTTDRSKSVPV-UHFFFAOYSA-N -1 3 352.398 3.484 20 0 FGADHM Fc1ccc(CSc2nccn2-c2ccccc2)cc1-c1nn[n-]n1 ZINC000822775380 607009202 /nfs/dbraw/zinc/00/92/02/607009202.db2.gz WZYFTTDRSKSVPV-UHFFFAOYSA-N -1 3 352.398 3.484 20 0 FGADHM CCc1ccc([C@H](C)NC(=O)CSc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821480469 607010706 /nfs/dbraw/zinc/01/07/06/607010706.db2.gz CNWAETVGSVNGPY-ZDUSSCGKSA-N -1 3 367.478 3.399 20 0 FGADHM CCc1ccc([C@H](C)NC(=O)CSc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821480469 607010707 /nfs/dbraw/zinc/01/07/07/607010707.db2.gz CNWAETVGSVNGPY-ZDUSSCGKSA-N -1 3 367.478 3.399 20 0 FGADHM C[C@@H](c1ccccc1)N(C)C(=O)CSc1cccc(-c2nnn[n-]2)c1 ZINC000820563242 607013147 /nfs/dbraw/zinc/01/31/47/607013147.db2.gz PCFPZZBAWQUWKL-ZDUSSCGKSA-N -1 3 353.451 3.178 20 0 FGADHM C[C@@H](c1ccccc1)N(C)C(=O)CSc1cccc(-c2nn[n-]n2)c1 ZINC000820563242 607013149 /nfs/dbraw/zinc/01/31/49/607013149.db2.gz PCFPZZBAWQUWKL-ZDUSSCGKSA-N -1 3 353.451 3.178 20 0 FGADHM Cc1ccc(CN(C(=O)CSc2cccc(-c3nnn[n-]3)c2)C2CC2)o1 ZINC000822236443 607014032 /nfs/dbraw/zinc/01/40/32/607014032.db2.gz ZMONSBOJKHCELF-UHFFFAOYSA-N -1 3 369.450 3.051 20 0 FGADHM Cc1ccc(CN(C(=O)CSc2cccc(-c3nn[n-]n3)c2)C2CC2)o1 ZINC000822236443 607014034 /nfs/dbraw/zinc/01/40/34/607014034.db2.gz ZMONSBOJKHCELF-UHFFFAOYSA-N -1 3 369.450 3.051 20 0 FGADHM Cc1ncsc1CCOc1ccc(Br)cc1-c1nnn[n-]1 ZINC000822482179 607032091 /nfs/dbraw/zinc/03/20/91/607032091.db2.gz LPEPDHSFESHKAN-UHFFFAOYSA-N -1 3 366.244 3.016 20 0 FGADHM Cc1ncsc1CCOc1ccc(Br)cc1-c1nn[n-]n1 ZINC000822482179 607032093 /nfs/dbraw/zinc/03/20/93/607032093.db2.gz LPEPDHSFESHKAN-UHFFFAOYSA-N -1 3 366.244 3.016 20 0 FGADHM C[C@H]1CC[C@H](CC(=O)N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC000820685418 607036011 /nfs/dbraw/zinc/03/60/11/607036011.db2.gz UHPQRZCUKCLPKT-GJZGRUSLSA-N -1 3 369.469 3.063 20 0 FGADHM C[C@@H]1CC[C@@H](CC(=O)N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC000820685422 607036256 /nfs/dbraw/zinc/03/62/56/607036256.db2.gz UHPQRZCUKCLPKT-HUUCEWRRSA-N -1 3 369.469 3.063 20 0 FGADHM COc1ccccc1COc1ccc(Br)cc1-c1nnn[n-]1 ZINC000821899476 607043218 /nfs/dbraw/zinc/04/32/18/607043218.db2.gz ZNFGDFHTBBCHLS-UHFFFAOYSA-N -1 3 361.199 3.217 20 0 FGADHM COc1ccccc1COc1ccc(Br)cc1-c1nn[n-]n1 ZINC000821899476 607043220 /nfs/dbraw/zinc/04/32/20/607043220.db2.gz ZNFGDFHTBBCHLS-UHFFFAOYSA-N -1 3 361.199 3.217 20 0 FGADHM ClC1(Cl)C[C@H]1COc1ccc(Br)cc1-c1nnn[n-]1 ZINC000822564321 607043301 /nfs/dbraw/zinc/04/33/01/607043301.db2.gz ZQLAOEUEXXZEFQ-LURJTMIESA-N -1 3 364.030 3.202 20 0 FGADHM ClC1(Cl)C[C@H]1COc1ccc(Br)cc1-c1nn[n-]n1 ZINC000822564321 607043302 /nfs/dbraw/zinc/04/33/02/607043302.db2.gz ZQLAOEUEXXZEFQ-LURJTMIESA-N -1 3 364.030 3.202 20 0 FGADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)cn1)c1ccc(OCC2CC2)c(F)c1 ZINC000820455710 607045282 /nfs/dbraw/zinc/04/52/82/607045282.db2.gz MHQKLOVRNNKELX-LLVKDONJSA-N -1 3 354.389 3.363 20 0 FGADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cn1)c1ccc(OCC2CC2)c(F)c1 ZINC000820455710 607045284 /nfs/dbraw/zinc/04/52/84/607045284.db2.gz MHQKLOVRNNKELX-LLVKDONJSA-N -1 3 354.389 3.363 20 0 FGADHM Cc1cccc([C@@H]2CCCN2C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)n1 ZINC000822299419 607068007 /nfs/dbraw/zinc/06/80/07/607068007.db2.gz IKUNROWPEOWJHO-KRWDZBQOSA-N -1 3 363.425 3.248 20 0 FGADHM Cc1cccc([C@@H]2CCCN2C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)n1 ZINC000822299419 607068009 /nfs/dbraw/zinc/06/80/09/607068009.db2.gz IKUNROWPEOWJHO-KRWDZBQOSA-N -1 3 363.425 3.248 20 0 FGADHM Cc1ccccc1[C@H]1CN(Cc2cc(F)ccc2-c2nn[n-]n2)[C@@H](C)CO1 ZINC000822351740 607070627 /nfs/dbraw/zinc/07/06/27/607070627.db2.gz PTVUWNUFKMJMKP-IFXJQAMLSA-N -1 3 367.428 3.276 20 0 FGADHM Cc1ccc(COC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000822238718 607093068 /nfs/dbraw/zinc/09/30/68/607093068.db2.gz RLPYXEHGHKRYNS-UHFFFAOYSA-N -1 3 358.423 3.137 20 0 FGADHM Cc1ccc(COC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000822238718 607093069 /nfs/dbraw/zinc/09/30/69/607093069.db2.gz RLPYXEHGHKRYNS-UHFFFAOYSA-N -1 3 358.423 3.137 20 0 FGADHM FCCOc1cccc(NC(=S)Nc2ccccc2-c2nnn[n-]2)c1 ZINC000822737246 607112140 /nfs/dbraw/zinc/11/21/40/607112140.db2.gz RSUVLRJSRAFPGH-UHFFFAOYSA-N -1 3 358.402 3.024 20 0 FGADHM FCCOc1cccc(NC(=S)Nc2ccccc2-c2nn[n-]n2)c1 ZINC000822737246 607112142 /nfs/dbraw/zinc/11/21/42/607112142.db2.gz RSUVLRJSRAFPGH-UHFFFAOYSA-N -1 3 358.402 3.024 20 0 FGADHM O=C(COc1ccc(-c2nnn[n-]2)cc1F)Nc1ccc2ccccc2c1 ZINC000823040619 607136902 /nfs/dbraw/zinc/13/69/02/607136902.db2.gz PDQQNAQVJXLGAJ-UHFFFAOYSA-N -1 3 363.352 3.177 20 0 FGADHM O=C(COc1ccc(-c2nn[n-]n2)cc1F)Nc1ccc2ccccc2c1 ZINC000823040619 607136905 /nfs/dbraw/zinc/13/69/05/607136905.db2.gz PDQQNAQVJXLGAJ-UHFFFAOYSA-N -1 3 363.352 3.177 20 0 FGADHM C[C@H](Oc1ccc(-c2nnn[n-]2)cc1F)C(=O)Nc1cccc(Cl)c1 ZINC000820535819 607137889 /nfs/dbraw/zinc/13/78/89/607137889.db2.gz QXXZVHYLHBRUSY-VIFPVBQESA-N -1 3 361.764 3.065 20 0 FGADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1F)C(=O)Nc1cccc(Cl)c1 ZINC000820535819 607137890 /nfs/dbraw/zinc/13/78/90/607137890.db2.gz QXXZVHYLHBRUSY-VIFPVBQESA-N -1 3 361.764 3.065 20 0 FGADHM C[C@@H](Oc1ccc(-c2nnn[n-]2)cc1F)c1nnc(-c2cccs2)o1 ZINC000820535271 607139814 /nfs/dbraw/zinc/13/98/14/607139814.db2.gz PAQJLFGOEOYNST-MRVPVSSYSA-N -1 3 358.358 3.257 20 0 FGADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1F)c1nnc(-c2cccs2)o1 ZINC000820535271 607139815 /nfs/dbraw/zinc/13/98/15/607139815.db2.gz PAQJLFGOEOYNST-MRVPVSSYSA-N -1 3 358.358 3.257 20 0 FGADHM Cc1ccc(NCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)c(Cl)c1 ZINC000822259065 607164822 /nfs/dbraw/zinc/16/48/22/607164822.db2.gz LGXFEZNSTMVNPZ-UHFFFAOYSA-N -1 3 367.800 3.491 20 0 FGADHM Cc1ccc(NCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)c(Cl)c1 ZINC000822259065 607164823 /nfs/dbraw/zinc/16/48/23/607164823.db2.gz LGXFEZNSTMVNPZ-UHFFFAOYSA-N -1 3 367.800 3.491 20 0 FGADHM O=C(COc1ccc(-c2nnn[n-]2)cc1F)Nc1cccc2ccccc21 ZINC000823041326 607171527 /nfs/dbraw/zinc/17/15/27/607171527.db2.gz YXVGZKOIDTZHSI-UHFFFAOYSA-N -1 3 363.352 3.177 20 0 FGADHM O=C(COc1ccc(-c2nn[n-]n2)cc1F)Nc1cccc2ccccc21 ZINC000823041326 607171528 /nfs/dbraw/zinc/17/15/28/607171528.db2.gz YXVGZKOIDTZHSI-UHFFFAOYSA-N -1 3 363.352 3.177 20 0 FGADHM CCSc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)ccn1 ZINC000821461727 607189285 /nfs/dbraw/zinc/18/92/85/607189285.db2.gz RKOCCACONNUQFK-UHFFFAOYSA-N -1 3 360.830 3.279 20 0 FGADHM CCSc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)ccn1 ZINC000821461727 607189286 /nfs/dbraw/zinc/18/92/86/607189286.db2.gz RKOCCACONNUQFK-UHFFFAOYSA-N -1 3 360.830 3.279 20 0 FGADHM CCC[C@@H](C)[C@H]1CCCN1C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC000821014460 607194195 /nfs/dbraw/zinc/19/41/95/607194195.db2.gz HKZIKGUODFTGPC-IUODEOHRSA-N -1 3 358.446 3.308 20 0 FGADHM CCC[C@@H](C)[C@H]1CCCN1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC000821014460 607194196 /nfs/dbraw/zinc/19/41/96/607194196.db2.gz HKZIKGUODFTGPC-IUODEOHRSA-N -1 3 358.446 3.308 20 0 FGADHM Cc1cccc(CCNC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000822304160 607198582 /nfs/dbraw/zinc/19/85/82/607198582.db2.gz RBPOREJXOGCTQJ-UHFFFAOYSA-N -1 3 356.817 3.193 20 0 FGADHM Cc1cccc(CCNC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000822304160 607198583 /nfs/dbraw/zinc/19/85/83/607198583.db2.gz RBPOREJXOGCTQJ-UHFFFAOYSA-N -1 3 356.817 3.193 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N[C@H]1CSc2ccccc21 ZINC000823318990 607202205 /nfs/dbraw/zinc/20/22/05/607202205.db2.gz OCWUJFUHFCKLKV-ZDUSSCGKSA-N -1 3 372.841 3.489 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N[C@H]1CSc2ccccc21 ZINC000823318990 607202206 /nfs/dbraw/zinc/20/22/06/607202206.db2.gz OCWUJFUHFCKLKV-ZDUSSCGKSA-N -1 3 372.841 3.489 20 0 FGADHM O=C(NCCCc1ccccc1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823197282 607202634 /nfs/dbraw/zinc/20/26/34/607202634.db2.gz OYATXHBJZUKWFQ-UHFFFAOYSA-N -1 3 356.817 3.274 20 0 FGADHM O=C(NCCCc1ccccc1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823197282 607202635 /nfs/dbraw/zinc/20/26/35/607202635.db2.gz OYATXHBJZUKWFQ-UHFFFAOYSA-N -1 3 356.817 3.274 20 0 FGADHM C[C@@H]1CCC[C@H](N(C)C(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820696784 607237096 /nfs/dbraw/zinc/23/70/96/607237096.db2.gz CIKNFCJZXWLJHP-HIFRSBDPSA-N -1 3 357.458 3.061 20 0 FGADHM C[C@@H]1CCC[C@H](N(C)C(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820696784 607237097 /nfs/dbraw/zinc/23/70/97/607237097.db2.gz CIKNFCJZXWLJHP-HIFRSBDPSA-N -1 3 357.458 3.061 20 0 FGADHM O=C(Cc1ccco1)N(Cc1ccccc1)c1ccccc1-c1nnn[n-]1 ZINC000823115655 607237668 /nfs/dbraw/zinc/23/76/68/607237668.db2.gz UYPRXFVOPRYGHI-UHFFFAOYSA-N -1 3 359.389 3.236 20 0 FGADHM O=C(Cc1ccco1)N(Cc1ccccc1)c1ccccc1-c1nn[n-]n1 ZINC000823115655 607237669 /nfs/dbraw/zinc/23/76/69/607237669.db2.gz UYPRXFVOPRYGHI-UHFFFAOYSA-N -1 3 359.389 3.236 20 0 FGADHM Cc1cc(C)cc(OCC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000822197942 607242353 /nfs/dbraw/zinc/24/23/53/607242353.db2.gz VQBFRGBLEBXZOG-UHFFFAOYSA-N -1 3 357.801 3.154 20 0 FGADHM Cc1cc(C)cc(OCC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000822197942 607242354 /nfs/dbraw/zinc/24/23/54/607242354.db2.gz VQBFRGBLEBXZOG-UHFFFAOYSA-N -1 3 357.801 3.154 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1sccc1OC(F)F ZINC000823318992 607244062 /nfs/dbraw/zinc/24/40/62/607244062.db2.gz OEANBIAHEJPJJK-UHFFFAOYSA-N -1 3 371.756 3.435 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1sccc1OC(F)F ZINC000823318992 607244063 /nfs/dbraw/zinc/24/40/63/607244063.db2.gz OEANBIAHEJPJJK-UHFFFAOYSA-N -1 3 371.756 3.435 20 0 FGADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000823450328 607248400 /nfs/dbraw/zinc/24/84/00/607248400.db2.gz ONFZDCWDENZLII-UWVGGRQHSA-N -1 3 358.295 3.280 20 0 FGADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000823450328 607248401 /nfs/dbraw/zinc/24/84/01/607248401.db2.gz ONFZDCWDENZLII-UWVGGRQHSA-N -1 3 358.295 3.280 20 0 FGADHM O=C(CSCCCCC(F)(F)F)Nc1cccc(-c2nnn[n-]2)c1 ZINC000826419528 607786048 /nfs/dbraw/zinc/78/60/48/607786048.db2.gz BQXBVKMVSDFCHN-UHFFFAOYSA-N -1 3 359.377 3.271 20 0 FGADHM O=C(CSCCCCC(F)(F)F)Nc1cccc(-c2nn[n-]n2)c1 ZINC000826419528 607786049 /nfs/dbraw/zinc/78/60/49/607786049.db2.gz BQXBVKMVSDFCHN-UHFFFAOYSA-N -1 3 359.377 3.271 20 0 FGADHM CCN(C(=O)[C@@H](C)Cc1ccccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000825361644 607796261 /nfs/dbraw/zinc/79/62/61/607796261.db2.gz GSFMWCXNTOKJPE-ZDUSSCGKSA-N -1 3 353.401 3.238 20 0 FGADHM CCN(C(=O)[C@@H](C)Cc1ccccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000825361644 607796262 /nfs/dbraw/zinc/79/62/62/607796262.db2.gz GSFMWCXNTOKJPE-ZDUSSCGKSA-N -1 3 353.401 3.238 20 0 FGADHM CCN(C(=O)[C@H]1C[C@@H]1c1ccc(F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825366974 607799851 /nfs/dbraw/zinc/79/98/51/607799851.db2.gz HRSGYADCYJCLHJ-SJORKVTESA-N -1 3 351.385 3.162 20 0 FGADHM CCN(C(=O)[C@H]1C[C@@H]1c1ccc(F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825366974 607799852 /nfs/dbraw/zinc/79/98/52/607799852.db2.gz HRSGYADCYJCLHJ-SJORKVTESA-N -1 3 351.385 3.162 20 0 FGADHM CCN(C(=O)[C@H](C)OC1CCCCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825362837 607800812 /nfs/dbraw/zinc/80/08/12/607800812.db2.gz RPNOLUNCIOGVFT-AWEZNQCLSA-N -1 3 357.458 3.348 20 0 FGADHM CCN(C(=O)[C@H](C)OC1CCCCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825362837 607800813 /nfs/dbraw/zinc/80/08/13/607800813.db2.gz RPNOLUNCIOGVFT-AWEZNQCLSA-N -1 3 357.458 3.348 20 0 FGADHM CCN(C(=O)C/C=C/c1cccc(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825371456 607800818 /nfs/dbraw/zinc/80/08/18/607800818.db2.gz GWEOBWNXJANGNK-GQCTYLIASA-N -1 3 351.385 3.462 20 0 FGADHM CCN(C(=O)C/C=C/c1cccc(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825371456 607800819 /nfs/dbraw/zinc/80/08/19/607800819.db2.gz GWEOBWNXJANGNK-GQCTYLIASA-N -1 3 351.385 3.462 20 0 FGADHM CC(=O)c1c(C)[nH]c(C(=O)OCc2cccc(-c3nnn[n-]3)c2)c1C(C)C ZINC000824010058 607805261 /nfs/dbraw/zinc/80/52/61/607805261.db2.gz HNOQYRXTEYCZGQ-UHFFFAOYSA-N -1 3 367.409 3.186 20 0 FGADHM CC(=O)c1c(C)[nH]c(C(=O)OCc2cccc(-c3nn[n-]n3)c2)c1C(C)C ZINC000824010058 607805262 /nfs/dbraw/zinc/80/52/62/607805262.db2.gz HNOQYRXTEYCZGQ-UHFFFAOYSA-N -1 3 367.409 3.186 20 0 FGADHM Cc1ccc(CC(=O)Nc2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)o1 ZINC000826286591 607826471 /nfs/dbraw/zinc/82/64/71/607826471.db2.gz IJCPIXSJTJCVAI-UHFFFAOYSA-N -1 3 366.406 3.073 20 0 FGADHM Cc1ccc(CC(=O)Nc2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)o1 ZINC000826286591 607826472 /nfs/dbraw/zinc/82/64/72/607826472.db2.gz IJCPIXSJTJCVAI-UHFFFAOYSA-N -1 3 366.406 3.073 20 0 FGADHM CC(C)(C)O[C@H](C(=O)OCc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000824119606 607826868 /nfs/dbraw/zinc/82/68/68/607826868.db2.gz LZJBCJSFTQVKKO-KRWDZBQOSA-N -1 3 366.421 3.466 20 0 FGADHM CC(C)(C)O[C@H](C(=O)OCc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000824119606 607826869 /nfs/dbraw/zinc/82/68/69/607826869.db2.gz LZJBCJSFTQVKKO-KRWDZBQOSA-N -1 3 366.421 3.466 20 0 FGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1Cl)OCc1ccccc1 ZINC000826421251 607844242 /nfs/dbraw/zinc/84/42/42/607844242.db2.gz YWKXPEYDVBAQOG-UHFFFAOYSA-N -1 3 360.826 3.356 20 0 FGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1Cl)OCc1ccccc1 ZINC000826421251 607844243 /nfs/dbraw/zinc/84/42/43/607844243.db2.gz YWKXPEYDVBAQOG-UHFFFAOYSA-N -1 3 360.826 3.356 20 0 FGADHM Cc1cc(C(=O)CSc2ccc(-c3nnn[n-]3)cc2Cl)c(C)n1C ZINC000826257269 607844796 /nfs/dbraw/zinc/84/47/96/607844796.db2.gz VPOIEEOLDBQNBF-UHFFFAOYSA-N -1 3 361.858 3.450 20 0 FGADHM Cc1cc(C(=O)CSc2ccc(-c3nn[n-]n3)cc2Cl)c(C)n1C ZINC000826257269 607844797 /nfs/dbraw/zinc/84/47/97/607844797.db2.gz VPOIEEOLDBQNBF-UHFFFAOYSA-N -1 3 361.858 3.450 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1cccnc1-c1ccccc1 ZINC000826250534 607855754 /nfs/dbraw/zinc/85/57/54/607855754.db2.gz GAKYNGSCCNOSIX-UHFFFAOYSA-N -1 3 356.389 3.489 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1cccnc1-c1ccccc1 ZINC000826250534 607855755 /nfs/dbraw/zinc/85/57/55/607855755.db2.gz GAKYNGSCCNOSIX-UHFFFAOYSA-N -1 3 356.389 3.489 20 0 FGADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)O[C@H](C(C)(C)C)C(F)(F)F ZINC000824755832 607877940 /nfs/dbraw/zinc/87/79/40/607877940.db2.gz LOXNLGUUMYKEOK-LKFCYVNXSA-N -1 3 372.347 3.154 20 0 FGADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)O[C@H](C(C)(C)C)C(F)(F)F ZINC000824755832 607877941 /nfs/dbraw/zinc/87/79/41/607877941.db2.gz LOXNLGUUMYKEOK-LKFCYVNXSA-N -1 3 372.347 3.154 20 0 FGADHM CCN(C(=O)Cc1cccc(OC)c1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825376193 607878872 /nfs/dbraw/zinc/87/88/72/607878872.db2.gz CYDQDVAHQJSQEQ-UHFFFAOYSA-N -1 3 371.828 3.124 20 0 FGADHM CCN(C(=O)Cc1cccc(OC)c1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825376193 607878873 /nfs/dbraw/zinc/87/88/73/607878873.db2.gz CYDQDVAHQJSQEQ-UHFFFAOYSA-N -1 3 371.828 3.124 20 0 FGADHM CCN(C(=O)c1ccc(C)nc1C)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825380527 607879226 /nfs/dbraw/zinc/87/92/26/607879226.db2.gz PVTIZKSJRYYNKX-UHFFFAOYSA-N -1 3 356.817 3.199 20 0 FGADHM CCN(C(=O)c1ccc(C)nc1C)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825380527 607879227 /nfs/dbraw/zinc/87/92/27/607879227.db2.gz PVTIZKSJRYYNKX-UHFFFAOYSA-N -1 3 356.817 3.199 20 0 FGADHM CCCOc1ccccc1NCc1cccc(C(=O)OC)c1-c1nnn[n-]1 ZINC000825341727 607879681 /nfs/dbraw/zinc/87/96/81/607879681.db2.gz JDXWFAPKFNDBAO-UHFFFAOYSA-N -1 3 367.409 3.054 20 0 FGADHM CCCOc1ccccc1NCc1cccc(C(=O)OC)c1-c1nn[n-]n1 ZINC000825341727 607879682 /nfs/dbraw/zinc/87/96/82/607879682.db2.gz JDXWFAPKFNDBAO-UHFFFAOYSA-N -1 3 367.409 3.054 20 0 FGADHM CC(=Cc1ccccc1Cl)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000823944154 607894663 /nfs/dbraw/zinc/89/46/63/607894663.db2.gz YYKSRPNWXQBZJS-DHZHZOJOSA-N -1 3 371.803 3.379 20 0 FGADHM CC(=Cc1ccccc1Cl)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000823944154 607894664 /nfs/dbraw/zinc/89/46/64/607894664.db2.gz YYKSRPNWXQBZJS-DHZHZOJOSA-N -1 3 371.803 3.379 20 0 FGADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccc([S@](C)=O)cc1 ZINC000824650383 607902610 /nfs/dbraw/zinc/90/26/10/607902610.db2.gz RDFSWSJMCQIDID-ZZDSUILFSA-N -1 3 361.858 3.431 20 0 FGADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc([S@](C)=O)cc1 ZINC000824650383 607902611 /nfs/dbraw/zinc/90/26/11/607902611.db2.gz RDFSWSJMCQIDID-ZZDSUILFSA-N -1 3 361.858 3.431 20 0 FGADHM CC1=CCN(C(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)CC1 ZINC000824853259 607910634 /nfs/dbraw/zinc/91/06/34/607910634.db2.gz ZRBHAOPGNJFLSL-UHFFFAOYSA-N -1 3 360.421 3.403 20 0 FGADHM Cc1nc(-c2ccncc2)nc(N2CCc3ccc(-c4nnn[n-]4)cc32)c1C ZINC000826323238 607935554 /nfs/dbraw/zinc/93/55/54/607935554.db2.gz WCRZNHLAWVFCSX-UHFFFAOYSA-N -1 3 370.420 3.030 20 0 FGADHM Cc1nc(-c2ccncc2)nc(N2CCc3ccc(-c4nn[n-]n4)cc32)c1C ZINC000826323238 607935555 /nfs/dbraw/zinc/93/55/55/607935555.db2.gz WCRZNHLAWVFCSX-UHFFFAOYSA-N -1 3 370.420 3.030 20 0 FGADHM CS[C@@H](C)CC(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000826224643 607939946 /nfs/dbraw/zinc/93/99/46/607939946.db2.gz JGGHILPHVDQUQB-NSHDSACASA-N -1 3 373.507 3.353 20 0 FGADHM O=C([C@H]1C[C@@H]1c1cccc(Cl)c1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826398869 607946726 /nfs/dbraw/zinc/94/67/26/607946726.db2.gz HUJFDDAPOXQMNY-CVEARBPZSA-N -1 3 365.824 3.213 20 0 FGADHM O=C([C@H]1C[C@@H]1c1cccc(Cl)c1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826398869 607946727 /nfs/dbraw/zinc/94/67/27/607946727.db2.gz HUJFDDAPOXQMNY-CVEARBPZSA-N -1 3 365.824 3.213 20 0 FGADHM Cc1nc(CC(C)C)c(C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)s1 ZINC000826324958 607954247 /nfs/dbraw/zinc/95/42/47/607954247.db2.gz JNOOXAQLLQMWTB-UHFFFAOYSA-N -1 3 368.466 3.033 20 0 FGADHM Cc1nc(CC(C)C)c(C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)s1 ZINC000826324958 607954248 /nfs/dbraw/zinc/95/42/48/607954248.db2.gz JNOOXAQLLQMWTB-UHFFFAOYSA-N -1 3 368.466 3.033 20 0 FGADHM Cc1cc(NC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)c[nH]c1=O ZINC000826270615 607955949 /nfs/dbraw/zinc/95/59/49/607955949.db2.gz HLKNBVWIEXAVSS-UHFFFAOYSA-N -1 3 372.388 3.195 20 0 FGADHM Cc1cc(NC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)c[nH]c1=O ZINC000826270615 607955950 /nfs/dbraw/zinc/95/59/50/607955950.db2.gz HLKNBVWIEXAVSS-UHFFFAOYSA-N -1 3 372.388 3.195 20 0 FGADHM CCc1nc2sccc2c(N(C)Cc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000825749379 607964903 /nfs/dbraw/zinc/96/49/03/607964903.db2.gz COYLLCWVHITBLK-UHFFFAOYSA-N -1 3 351.439 3.070 20 0 FGADHM CCc1nc2sccc2c(N(C)Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000825749379 607964904 /nfs/dbraw/zinc/96/49/04/607964904.db2.gz COYLLCWVHITBLK-UHFFFAOYSA-N -1 3 351.439 3.070 20 0 FGADHM COc1ccc(-c2nc3ccc(F)cc3n2C2CC2)cc1-c1nnn[n-]1 ZINC000826182096 607975599 /nfs/dbraw/zinc/97/55/99/607975599.db2.gz ZSLDFZQWOKSUEA-UHFFFAOYSA-N -1 3 350.357 3.366 20 0 FGADHM COc1ccc(-c2nc3ccc(F)cc3n2C2CC2)cc1-c1nn[n-]n1 ZINC000826182096 607975600 /nfs/dbraw/zinc/97/56/00/607975600.db2.gz ZSLDFZQWOKSUEA-UHFFFAOYSA-N -1 3 350.357 3.366 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N[C@@H](c1cccnc1)C1CC1 ZINC000826452219 607996496 /nfs/dbraw/zinc/99/64/96/607996496.db2.gz LNXZUMCOZMFTMA-OAHLLOKOSA-N -1 3 369.816 3.188 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N[C@@H](c1cccnc1)C1CC1 ZINC000826452219 607996497 /nfs/dbraw/zinc/99/64/97/607996497.db2.gz LNXZUMCOZMFTMA-OAHLLOKOSA-N -1 3 369.816 3.188 20 0 FGADHM CC(C)c1ccc([C@H]2CCCN2C(=O)c2ccc(-c3nnn[n-]3)[nH]2)cc1 ZINC000824347853 608008283 /nfs/dbraw/zinc/00/82/83/608008283.db2.gz PQYYRVGCXGJYID-QGZVFWFLSA-N -1 3 350.426 3.296 20 0 FGADHM CC(C)c1ccc([C@H]2CCCN2C(=O)c2ccc(-c3nn[n-]n3)[nH]2)cc1 ZINC000824347853 608008284 /nfs/dbraw/zinc/00/82/84/608008284.db2.gz PQYYRVGCXGJYID-QGZVFWFLSA-N -1 3 350.426 3.296 20 0 FGADHM CC(=O)c1ccc(NC(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000824025272 608009714 /nfs/dbraw/zinc/00/97/14/608009714.db2.gz ZTWOVHGYPDMCGG-UHFFFAOYSA-N -1 3 364.409 3.042 20 0 FGADHM CC(=O)c1ccc(NC(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000824025272 608009715 /nfs/dbraw/zinc/00/97/15/608009715.db2.gz ZTWOVHGYPDMCGG-UHFFFAOYSA-N -1 3 364.409 3.042 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1scnc1C1CC1 ZINC000825331910 608029648 /nfs/dbraw/zinc/02/96/48/608029648.db2.gz CRRLFUQOYFHLBJ-UHFFFAOYSA-N -1 3 369.454 3.275 20 0 FGADHM CN(C(=O)C=Cc1ccccc1-c1nnn[n-]1)c1cccc2ncccc21 ZINC000825811757 608030450 /nfs/dbraw/zinc/03/04/50/608030450.db2.gz BCNUVDSUQHUNLJ-VAWYXSNFSA-N -1 3 356.389 3.091 20 0 FGADHM CN(C(=O)C=Cc1ccccc1-c1nn[n-]n1)c1cccc2ncccc21 ZINC000825811757 608030451 /nfs/dbraw/zinc/03/04/51/608030451.db2.gz BCNUVDSUQHUNLJ-VAWYXSNFSA-N -1 3 356.389 3.091 20 0 FGADHM COc1ccc(CNc2nc3cc(Cl)ccc3o2)cc1-c1nnn[n-]1 ZINC000826204678 608046472 /nfs/dbraw/zinc/04/64/72/608046472.db2.gz VLHBNXWSVYWBII-UHFFFAOYSA-N -1 3 356.773 3.282 20 0 FGADHM COc1ccc(CNc2nc3cc(Cl)ccc3o2)cc1-c1nn[n-]n1 ZINC000826204678 608046473 /nfs/dbraw/zinc/04/64/73/608046473.db2.gz VLHBNXWSVYWBII-UHFFFAOYSA-N -1 3 356.773 3.282 20 0 FGADHM FC1(F)CCC(NC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000826370028 608047481 /nfs/dbraw/zinc/04/74/81/608047481.db2.gz AGPIWNQLRPANEM-UHFFFAOYSA-N -1 3 372.832 3.384 20 0 FGADHM FC1(F)CCC(NC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000826370028 608047482 /nfs/dbraw/zinc/04/74/82/608047482.db2.gz AGPIWNQLRPANEM-UHFFFAOYSA-N -1 3 372.832 3.384 20 0 FGADHM Brc1cc(-c2nn[n-]n2)ccc1N1CCOc2ccccc2C1 ZINC000823827156 608047591 /nfs/dbraw/zinc/04/75/91/608047591.db2.gz VLXRIQWAXWXIIJ-UHFFFAOYSA-N -1 3 372.226 3.028 20 0 FGADHM COCc1cccc(CNc2ccc(-c3nn[n-]n3)cc2Br)c1 ZINC000826164608 608047961 /nfs/dbraw/zinc/04/79/61/608047961.db2.gz IQLWMJQEIKFTHS-UHFFFAOYSA-N -1 3 374.242 3.388 20 0 FGADHM Cc1c(Cl)cc(F)c(NC(=O)c2ccc(-c3nnn[n-]3)s2)c1F ZINC000826236327 608074100 /nfs/dbraw/zinc/07/41/00/608074100.db2.gz HIYAILXBKLPXCZ-UHFFFAOYSA-N -1 3 355.757 3.421 20 0 FGADHM C[C@H](OC(=O)c1cccc([C@H]2CCOC2)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824721955 608075389 /nfs/dbraw/zinc/07/53/89/608075389.db2.gz FSZNGKBDDOZCCS-UGSOOPFHSA-N -1 3 364.405 3.289 20 0 FGADHM C[C@H](OC(=O)c1cccc([C@H]2CCOC2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824721955 608075390 /nfs/dbraw/zinc/07/53/90/608075390.db2.gz FSZNGKBDDOZCCS-UGSOOPFHSA-N -1 3 364.405 3.289 20 0 FGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N1C[C@@H](C)CC[C@H]1C ZINC000824910674 608078081 /nfs/dbraw/zinc/07/80/81/608078081.db2.gz XZISVWWJYXEXQE-QWHCGFSZSA-N -1 3 358.446 3.306 20 0 FGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N1C[C@@H](C)CC[C@H]1C ZINC000824910674 608078082 /nfs/dbraw/zinc/07/80/82/608078082.db2.gz XZISVWWJYXEXQE-QWHCGFSZSA-N -1 3 358.446 3.306 20 0 FGADHM CCCCCC[C@@H](C)C(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000825270766 608085354 /nfs/dbraw/zinc/08/53/54/608085354.db2.gz CPIBKYGNUXTBJH-QAPCUYQASA-N -1 3 371.485 3.373 20 0 FGADHM CCCCCC[C@@H](C)C(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000825270766 608085355 /nfs/dbraw/zinc/08/53/55/608085355.db2.gz CPIBKYGNUXTBJH-QAPCUYQASA-N -1 3 371.485 3.373 20 0 FGADHM C[C@@H](C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)c1c(F)cccc1F ZINC000824470610 608115206 /nfs/dbraw/zinc/11/52/06/608115206.db2.gz KDBXCYIBMGDASX-MNOVXSKESA-N -1 3 357.364 3.126 20 0 FGADHM C[C@@H](C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)c1c(F)cccc1F ZINC000824470610 608115207 /nfs/dbraw/zinc/11/52/07/608115207.db2.gz KDBXCYIBMGDASX-MNOVXSKESA-N -1 3 357.364 3.126 20 0 FGADHM COCCOc1ccc(-c2nnn[n-]2)cc1NCc1ccc([C@H]2C[C@H]2C)o1 ZINC000826161928 608136269 /nfs/dbraw/zinc/13/62/69/608136269.db2.gz FYWQTPAWFLTWLU-DOMZBBRYSA-N -1 3 369.425 3.220 20 0 FGADHM COCCOc1ccc(-c2nn[n-]n2)cc1NCc1ccc([C@H]2C[C@H]2C)o1 ZINC000826161928 608136270 /nfs/dbraw/zinc/13/62/70/608136270.db2.gz FYWQTPAWFLTWLU-DOMZBBRYSA-N -1 3 369.425 3.220 20 0 FGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cc(C(C)C)on1 ZINC000824319039 608153926 /nfs/dbraw/zinc/15/39/26/608153926.db2.gz CPFXJTQJUGNSGY-UHFFFAOYSA-N -1 3 356.386 3.018 20 0 FGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(C(C)C)on1 ZINC000824319039 608153928 /nfs/dbraw/zinc/15/39/28/608153928.db2.gz CPFXJTQJUGNSGY-UHFFFAOYSA-N -1 3 356.386 3.018 20 0 FGADHM C[C@H](C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F)c1c(F)cccc1F ZINC000824039841 608155105 /nfs/dbraw/zinc/15/51/05/608155105.db2.gz ILCLLOSNTYTVHV-VIFPVBQESA-N -1 3 361.327 3.051 20 0 FGADHM C[C@H](C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F)c1c(F)cccc1F ZINC000824039841 608155107 /nfs/dbraw/zinc/15/51/07/608155107.db2.gz ILCLLOSNTYTVHV-VIFPVBQESA-N -1 3 361.327 3.051 20 0 FGADHM C[C@@H](C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F)c1c(F)cccc1F ZINC000824039839 608155280 /nfs/dbraw/zinc/15/52/80/608155280.db2.gz ILCLLOSNTYTVHV-SECBINFHSA-N -1 3 361.327 3.051 20 0 FGADHM C[C@@H](C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F)c1c(F)cccc1F ZINC000824039839 608155281 /nfs/dbraw/zinc/15/52/81/608155281.db2.gz ILCLLOSNTYTVHV-SECBINFHSA-N -1 3 361.327 3.051 20 0 FGADHM O=C(NCC1(Cc2ccc(F)cc2)CC1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000826433324 608156007 /nfs/dbraw/zinc/15/60/07/608156007.db2.gz BPAJPPDPSXILIZ-UHFFFAOYSA-N -1 3 366.400 3.150 20 0 FGADHM O=C(NCC1(Cc2ccc(F)cc2)CC1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000826433324 608156008 /nfs/dbraw/zinc/15/60/08/608156008.db2.gz BPAJPPDPSXILIZ-UHFFFAOYSA-N -1 3 366.400 3.150 20 0 FGADHM C[C@H](NC(=O)N1CC[C@H](C)C2(CCC2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000824487353 608163114 /nfs/dbraw/zinc/16/31/14/608163114.db2.gz ARHMJPIUZITBNZ-KBPBESRZSA-N -1 3 354.458 3.149 20 0 FGADHM C[C@H](NC(=O)N1CC[C@H](C)C2(CCC2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000824487353 608163115 /nfs/dbraw/zinc/16/31/15/608163115.db2.gz ARHMJPIUZITBNZ-KBPBESRZSA-N -1 3 354.458 3.149 20 0 FGADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)N[C@H]1CC12CCCCC2 ZINC000826406173 608165309 /nfs/dbraw/zinc/16/53/09/608165309.db2.gz LFYXZPFQVIGSDA-KRWDZBQOSA-N -1 3 369.469 3.255 20 0 FGADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)N[C@H]1CC12CCCCC2 ZINC000826406173 608165311 /nfs/dbraw/zinc/16/53/11/608165311.db2.gz LFYXZPFQVIGSDA-KRWDZBQOSA-N -1 3 369.469 3.255 20 0 FGADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)C1(CC(C)C)CCC1 ZINC000825788605 608177255 /nfs/dbraw/zinc/17/72/55/608177255.db2.gz SDINOEMZUNADGS-UHFFFAOYSA-N -1 3 367.457 3.391 20 0 FGADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)C1(CC(C)C)CCC1 ZINC000825788605 608177256 /nfs/dbraw/zinc/17/72/56/608177256.db2.gz SDINOEMZUNADGS-UHFFFAOYSA-N -1 3 367.457 3.391 20 0 FGADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)C[C@@H]1CC[C@H](C)C1 ZINC000825787458 608178326 /nfs/dbraw/zinc/17/83/26/608178326.db2.gz GLUGIDGDOWSLDR-NWDGAFQWSA-N -1 3 353.430 3.001 20 0 FGADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)C[C@@H]1CC[C@H](C)C1 ZINC000825787458 608178327 /nfs/dbraw/zinc/17/83/27/608178327.db2.gz GLUGIDGDOWSLDR-NWDGAFQWSA-N -1 3 353.430 3.001 20 0 FGADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)[C@@H]1CCC[C@H](C)C1 ZINC000825789133 608179848 /nfs/dbraw/zinc/17/98/48/608179848.db2.gz WXOZAQBQMBJCQV-WCQYABFASA-N -1 3 353.430 3.001 20 0 FGADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)[C@@H]1CCC[C@H](C)C1 ZINC000825789133 608179850 /nfs/dbraw/zinc/17/98/50/608179850.db2.gz WXOZAQBQMBJCQV-WCQYABFASA-N -1 3 353.430 3.001 20 0 FGADHM C[C@H](OC(=O)c1ccccc1OC(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000824723623 608181580 /nfs/dbraw/zinc/18/15/80/608181580.db2.gz SUJAFFFIYKZXIC-JTQLQIEISA-N -1 3 360.320 3.386 20 0 FGADHM C[C@H](OC(=O)c1ccccc1OC(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000824723623 608181581 /nfs/dbraw/zinc/18/15/81/608181581.db2.gz SUJAFFFIYKZXIC-JTQLQIEISA-N -1 3 360.320 3.386 20 0 FGADHM CC(C)c1ncc(Cl)c(C(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000824364421 608182777 /nfs/dbraw/zinc/18/27/77/608182777.db2.gz FRQLYFQGORETQI-SNVBAGLBSA-N -1 3 372.816 3.352 20 0 FGADHM CC(C)c1ncc(Cl)c(C(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000824364421 608182778 /nfs/dbraw/zinc/18/27/78/608182778.db2.gz FRQLYFQGORETQI-SNVBAGLBSA-N -1 3 372.816 3.352 20 0 FGADHM Cc1ccc(O[C@H](C)C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826292210 608186179 /nfs/dbraw/zinc/18/61/79/608186179.db2.gz LRNCOGZFWQOPFX-UONOGXRCSA-N -1 3 352.394 3.247 20 0 FGADHM Cc1ccc(O[C@H](C)C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826292210 608186180 /nfs/dbraw/zinc/18/61/80/608186180.db2.gz LRNCOGZFWQOPFX-UONOGXRCSA-N -1 3 352.394 3.247 20 0 FGADHM CC[C@H](C)[C@H](O)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825060008 608200262 /nfs/dbraw/zinc/20/02/62/608200262.db2.gz NFOAISKEMGVLAR-SJCJKPOMSA-N -1 3 367.409 3.005 20 0 FGADHM CC[C@H](C)[C@H](O)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825060008 608200264 /nfs/dbraw/zinc/20/02/64/608200264.db2.gz NFOAISKEMGVLAR-SJCJKPOMSA-N -1 3 367.409 3.005 20 0 FGADHM CC[C@@H]1CCCCN1C(=O)CSc1cccc(Cl)c1-c1nnn[n-]1 ZINC000825193802 608205948 /nfs/dbraw/zinc/20/59/48/608205948.db2.gz NWLCJTAZOHBURA-LLVKDONJSA-N -1 3 365.890 3.403 20 0 FGADHM CC[C@@H]1CCCCN1C(=O)CSc1cccc(Cl)c1-c1nn[n-]n1 ZINC000825193802 608205949 /nfs/dbraw/zinc/20/59/49/608205949.db2.gz NWLCJTAZOHBURA-LLVKDONJSA-N -1 3 365.890 3.403 20 0 FGADHM Cc1nc(CNc2ccc3cc(-c4nnn[n-]4)ccc3n2)nc2ccccc12 ZINC000826326423 608225231 /nfs/dbraw/zinc/22/52/31/608225231.db2.gz OXSGBUMZLFOUCJ-UHFFFAOYSA-N -1 3 368.404 3.279 20 0 FGADHM Cc1nc(CNc2ccc3cc(-c4nn[n-]n4)ccc3n2)nc2ccccc12 ZINC000826326423 608225233 /nfs/dbraw/zinc/22/52/33/608225233.db2.gz OXSGBUMZLFOUCJ-UHFFFAOYSA-N -1 3 368.404 3.279 20 0 FGADHM CCc1ccc(C2=CCN(c3nnc(C)c(C)c3-c3nnn[n-]3)CC2)cc1 ZINC000825704984 608237491 /nfs/dbraw/zinc/23/74/91/608237491.db2.gz SMTVPNWNHMRFOX-UHFFFAOYSA-N -1 3 361.453 3.130 20 0 FGADHM CCc1ccc(C2=CCN(c3nnc(C)c(C)c3-c3nn[n-]n3)CC2)cc1 ZINC000825704984 608237493 /nfs/dbraw/zinc/23/74/93/608237493.db2.gz SMTVPNWNHMRFOX-UHFFFAOYSA-N -1 3 361.453 3.130 20 0 FGADHM OC[C@@H](Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccc(Cl)cc1 ZINC000826508468 608240431 /nfs/dbraw/zinc/24/04/31/608240431.db2.gz PVJBCPUPZNYLBH-CQSZACIVSA-N -1 3 350.209 3.319 20 0 FGADHM OC[C@@H](Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc(Cl)cc1 ZINC000826508468 608240432 /nfs/dbraw/zinc/24/04/32/608240432.db2.gz PVJBCPUPZNYLBH-CQSZACIVSA-N -1 3 350.209 3.319 20 0 FGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)Nc1ccc(C2CC2)cc1 ZINC000826421261 608245276 /nfs/dbraw/zinc/24/52/76/608245276.db2.gz ZJALAPOYFUUMQA-UHFFFAOYSA-N -1 3 351.435 3.475 20 0 FGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)Nc1ccc(C2CC2)cc1 ZINC000826421261 608245278 /nfs/dbraw/zinc/24/52/78/608245278.db2.gz ZJALAPOYFUUMQA-UHFFFAOYSA-N -1 3 351.435 3.475 20 0 FGADHM Cc1cccc(OCCCC(=O)OCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826299914 608247192 /nfs/dbraw/zinc/24/71/92/608247192.db2.gz AVKOTRMBPVTXIY-UHFFFAOYSA-N -1 3 352.394 3.078 20 0 FGADHM Cc1cccc(OCCCC(=O)OCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826299914 608247194 /nfs/dbraw/zinc/24/71/94/608247194.db2.gz AVKOTRMBPVTXIY-UHFFFAOYSA-N -1 3 352.394 3.078 20 0 FGADHM CCCn1ncc(C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1C1CC1 ZINC000825361611 608248604 /nfs/dbraw/zinc/24/86/04/608248604.db2.gz GBGBMGWIFWAWRP-LBPRGKRZSA-N -1 3 366.425 3.269 20 0 FGADHM CCCn1ncc(C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1C1CC1 ZINC000825361611 608248606 /nfs/dbraw/zinc/24/86/06/608248606.db2.gz GBGBMGWIFWAWRP-LBPRGKRZSA-N -1 3 366.425 3.269 20 0 FGADHM C[C@H](CC(=O)Nc1ccc(-c2nnn[n-]2)cn1)Cc1ccc(Cl)cc1 ZINC000824385623 608259547 /nfs/dbraw/zinc/25/95/47/608259547.db2.gz XWCGKZKLSZKMCO-NSHDSACASA-N -1 3 356.817 3.123 20 0 FGADHM C[C@H](CC(=O)Nc1ccc(-c2nn[n-]n2)cn1)Cc1ccc(Cl)cc1 ZINC000824385623 608259548 /nfs/dbraw/zinc/25/95/48/608259548.db2.gz XWCGKZKLSZKMCO-NSHDSACASA-N -1 3 356.817 3.123 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1CSc1ncnc2sccc21 ZINC000826173668 608260981 /nfs/dbraw/zinc/26/09/81/608260981.db2.gz OZNYIRKNNGJUNS-UHFFFAOYSA-N -1 3 356.436 3.172 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1CSc1ncnc2sccc21 ZINC000826173668 608260982 /nfs/dbraw/zinc/26/09/82/608260982.db2.gz OZNYIRKNNGJUNS-UHFFFAOYSA-N -1 3 356.436 3.172 20 0 FGADHM CC[C@H]1CC[C@@H](C)N1C(=O)CSc1nc(C)c(C)c(C)c1-c1nnn[n-]1 ZINC000825191363 608270630 /nfs/dbraw/zinc/27/06/30/608270630.db2.gz ARVKSGKOKNTXML-YGRLFVJLSA-N -1 3 374.514 3.069 20 0 FGADHM CC[C@H]1CC[C@@H](C)N1C(=O)CSc1nc(C)c(C)c(C)c1-c1nn[n-]n1 ZINC000825191363 608270631 /nfs/dbraw/zinc/27/06/31/608270631.db2.gz ARVKSGKOKNTXML-YGRLFVJLSA-N -1 3 374.514 3.069 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)c(NCc2ccc(Br)s2)n1 ZINC000826276372 608273043 /nfs/dbraw/zinc/27/30/43/608273043.db2.gz CTYGNXHRVDCOFE-UHFFFAOYSA-N -1 3 351.233 3.006 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)c(NCc2ccc(Br)s2)n1 ZINC000826276372 608273045 /nfs/dbraw/zinc/27/30/45/608273045.db2.gz CTYGNXHRVDCOFE-UHFFFAOYSA-N -1 3 351.233 3.006 20 0 FGADHM CCOc1cc(CCCNc2nc(C)ccc2-c2nnn[n-]2)ccc1OC ZINC000825615661 608288976 /nfs/dbraw/zinc/28/89/76/608288976.db2.gz FVHSABPQVCUIQY-UHFFFAOYSA-N -1 3 368.441 3.022 20 0 FGADHM CCOc1cc(CCCNc2nc(C)ccc2-c2nn[n-]n2)ccc1OC ZINC000825615661 608288979 /nfs/dbraw/zinc/28/89/79/608288979.db2.gz FVHSABPQVCUIQY-UHFFFAOYSA-N -1 3 368.441 3.022 20 0 FGADHM Fc1ccc(NCc2ccc(F)c(-c3nnn[n-]3)c2)c(OCC(F)F)c1 ZINC000826375545 608291906 /nfs/dbraw/zinc/29/19/06/608291906.db2.gz SBBDKGUJMHUTMX-UHFFFAOYSA-N -1 3 367.306 3.401 20 0 FGADHM Fc1ccc(NCc2ccc(F)c(-c3nn[n-]n3)c2)c(OCC(F)F)c1 ZINC000826375545 608291908 /nfs/dbraw/zinc/29/19/08/608291908.db2.gz SBBDKGUJMHUTMX-UHFFFAOYSA-N -1 3 367.306 3.401 20 0 FGADHM c1c2c(nc(N[C@@H]3CCOC4(CCCC4)C3)c1-c1nnn[n-]1)CCCC2 ZINC000826511982 608298885 /nfs/dbraw/zinc/29/88/85/608298885.db2.gz KWFZMUFQRYLDEX-CQSZACIVSA-N -1 3 354.458 3.044 20 0 FGADHM c1c2c(nc(N[C@@H]3CCOC4(CCCC4)C3)c1-c1nn[n-]n1)CCCC2 ZINC000826511982 608298887 /nfs/dbraw/zinc/29/88/87/608298887.db2.gz KWFZMUFQRYLDEX-CQSZACIVSA-N -1 3 354.458 3.044 20 0 FGADHM CC(C)(C)[C@@H]1C[C@H](Nc2nc3c(cc2-c2nnn[n-]2)CCCC3)CCO1 ZINC000824079354 608300977 /nfs/dbraw/zinc/30/09/77/608300977.db2.gz OYHFJXHCAUJWES-CJNGLKHVSA-N -1 3 356.474 3.146 20 0 FGADHM CC(C)(C)[C@@H]1C[C@H](Nc2nc3c(cc2-c2nn[n-]n2)CCCC3)CCO1 ZINC000824079354 608300978 /nfs/dbraw/zinc/30/09/78/608300978.db2.gz OYHFJXHCAUJWES-CJNGLKHVSA-N -1 3 356.474 3.146 20 0 FGADHM COc1ccc([C@H](OC(=O)c2cccc(-c3nnn[n-]3)c2)C2CC2)c(C)c1 ZINC000826188827 608317174 /nfs/dbraw/zinc/31/71/74/608317174.db2.gz ICMRETRAJCZVCB-GOSISDBHSA-N -1 3 364.405 3.492 20 0 FGADHM COc1ccc([C@H](OC(=O)c2cccc(-c3nn[n-]n3)c2)C2CC2)c(C)c1 ZINC000826188827 608317175 /nfs/dbraw/zinc/31/71/75/608317175.db2.gz ICMRETRAJCZVCB-GOSISDBHSA-N -1 3 364.405 3.492 20 0 FGADHM Cc1nn(-c2ccccc2)c(CN2CCC[C@@H]2c2ccc[nH]2)c1-c1nnn[n-]1 ZINC000826332121 608317429 /nfs/dbraw/zinc/31/74/29/608317429.db2.gz KDLUCPLKNXSVBG-QGZVFWFLSA-N -1 3 374.452 3.026 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1CNc1ccc(C)c(NC(C)=O)c1C ZINC000826170976 608321264 /nfs/dbraw/zinc/32/12/64/608321264.db2.gz XHKCMLPOHQUOAX-UHFFFAOYSA-N -1 3 366.425 3.063 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1CNc1ccc(C)c(NC(C)=O)c1C ZINC000826170976 608321266 /nfs/dbraw/zinc/32/12/66/608321266.db2.gz XHKCMLPOHQUOAX-UHFFFAOYSA-N -1 3 366.425 3.063 20 0 FGADHM COc1ccccc1OCCSCc1ccc(-c2nnn[n-]2)cc1OC ZINC000826173448 608322568 /nfs/dbraw/zinc/32/25/68/608322568.db2.gz DWHDLXIDTKTOQG-UHFFFAOYSA-N -1 3 372.450 3.196 20 0 FGADHM COc1ccccc1OCCSCc1ccc(-c2nn[n-]n2)cc1OC ZINC000826173448 608322570 /nfs/dbraw/zinc/32/25/70/608322570.db2.gz DWHDLXIDTKTOQG-UHFFFAOYSA-N -1 3 372.450 3.196 20 0 FGADHM CS/C=C/C(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000826227107 608328180 /nfs/dbraw/zinc/32/81/80/608328180.db2.gz LTNROIYWZXDODT-ZHACJKMWSA-N -1 3 351.435 3.027 20 0 FGADHM CS/C=C/C(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000826227107 608328182 /nfs/dbraw/zinc/32/81/82/608328182.db2.gz LTNROIYWZXDODT-ZHACJKMWSA-N -1 3 351.435 3.027 20 0 FGADHM CCN(C(=O)[C@@H](C)c1cccnc1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825367421 608344827 /nfs/dbraw/zinc/34/48/27/608344827.db2.gz PSZXKCSJRNRYHP-NSHDSACASA-N -1 3 356.817 3.072 20 0 FGADHM CCN(C(=O)[C@@H](C)c1cccnc1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825367421 608344829 /nfs/dbraw/zinc/34/48/29/608344829.db2.gz PSZXKCSJRNRYHP-NSHDSACASA-N -1 3 356.817 3.072 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)C=C(C)c1cccc(F)c1 ZINC000826171536 608351130 /nfs/dbraw/zinc/35/11/30/608351130.db2.gz QMHHKZXSXNDEFD-XYOKQWHBSA-N -1 3 368.368 3.161 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)C=C(C)c1cccc(F)c1 ZINC000826171536 608351132 /nfs/dbraw/zinc/35/11/32/608351132.db2.gz QMHHKZXSXNDEFD-XYOKQWHBSA-N -1 3 368.368 3.161 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1CN(C)Cc1nc2ccccc2s1 ZINC000826167588 608352522 /nfs/dbraw/zinc/35/25/22/608352522.db2.gz KIWNTILAHXSVPF-UHFFFAOYSA-N -1 3 366.450 3.117 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1CN(C)Cc1nc2ccccc2s1 ZINC000826167588 608352523 /nfs/dbraw/zinc/35/25/23/608352523.db2.gz KIWNTILAHXSVPF-UHFFFAOYSA-N -1 3 366.450 3.117 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)c1cc2cc(F)ccc2o1 ZINC000826172529 608360721 /nfs/dbraw/zinc/36/07/21/608360721.db2.gz LDFAVOFPEQHING-UHFFFAOYSA-N -1 3 368.324 3.118 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)c1cc2cc(F)ccc2o1 ZINC000826172529 608360723 /nfs/dbraw/zinc/36/07/23/608360723.db2.gz LDFAVOFPEQHING-UHFFFAOYSA-N -1 3 368.324 3.118 20 0 FGADHM O=C1Nc2cc(Br)ccc2C1=Cc1cc(-c2nnn[n-]2)cs1 ZINC000826483725 608387364 /nfs/dbraw/zinc/38/73/64/608387364.db2.gz XZQYJLLAJJABAL-WZUFQYTHSA-N -1 3 374.223 3.183 20 0 FGADHM O=C1Nc2cc(Br)ccc2C1=Cc1cc(-c2nn[n-]n2)cs1 ZINC000826483725 608387366 /nfs/dbraw/zinc/38/73/66/608387366.db2.gz XZQYJLLAJJABAL-WZUFQYTHSA-N -1 3 374.223 3.183 20 0 FGADHM COc1ccc(CNc2c(F)cc(Cl)cc2F)cc1-c1nnn[n-]1 ZINC000826203613 608389254 /nfs/dbraw/zinc/38/92/54/608389254.db2.gz XNNZIMNFDSUJRA-UHFFFAOYSA-N -1 3 351.744 3.419 20 0 FGADHM COc1ccc(CNc2c(F)cc(Cl)cc2F)cc1-c1nn[n-]n1 ZINC000826203613 608389255 /nfs/dbraw/zinc/38/92/55/608389255.db2.gz XNNZIMNFDSUJRA-UHFFFAOYSA-N -1 3 351.744 3.419 20 0 FGADHM CCc1ncnc(N(Cc2ccc(-c3nnn[n-]3)cc2)CC(C)C)c1F ZINC000825755160 608406516 /nfs/dbraw/zinc/40/65/16/608406516.db2.gz PSHQQQRCECZJFY-UHFFFAOYSA-N -1 3 355.421 3.021 20 0 FGADHM CCc1ncnc(N(Cc2ccc(-c3nn[n-]n3)cc2)CC(C)C)c1F ZINC000825755160 608406517 /nfs/dbraw/zinc/40/65/17/608406517.db2.gz PSHQQQRCECZJFY-UHFFFAOYSA-N -1 3 355.421 3.021 20 0 FGADHM Fc1cc(Br)cc2c1CN(c1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000826372450 608415315 /nfs/dbraw/zinc/41/53/15/608415315.db2.gz WWIHYENUDKGFDX-UHFFFAOYSA-N -1 3 374.217 3.331 20 0 FGADHM Cc1ccccc1[C@H](C)NCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000826305551 608423806 /nfs/dbraw/zinc/42/38/06/608423806.db2.gz AUZVXBUEPRDSLQ-ZDUSSCGKSA-N -1 3 361.409 3.076 20 0 FGADHM Cc1ccccc1[C@H](C)NCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000826305551 608423807 /nfs/dbraw/zinc/42/38/07/608423807.db2.gz AUZVXBUEPRDSLQ-ZDUSSCGKSA-N -1 3 361.409 3.076 20 0 FGADHM C[C@H](NCc1cccc(-c2nnn[n-]2)c1F)c1ccccc1OC(F)F ZINC000824619223 608434571 /nfs/dbraw/zinc/43/45/71/608434571.db2.gz VGDONNFIIQEZRH-JTQLQIEISA-N -1 3 363.343 3.458 20 0 FGADHM CC(C)c1nsc(N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)n1 ZINC000824371894 608441075 /nfs/dbraw/zinc/44/10/75/608441075.db2.gz XWMYYHAKSZFSJM-UHFFFAOYSA-N -1 3 353.455 3.135 20 0 FGADHM CC(C)c1nsc(N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)n1 ZINC000824371894 608441076 /nfs/dbraw/zinc/44/10/76/608441076.db2.gz XWMYYHAKSZFSJM-UHFFFAOYSA-N -1 3 353.455 3.135 20 0 FGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)[C@@H]1CCCc2ccccc21 ZINC000826466285 608442022 /nfs/dbraw/zinc/44/20/22/608442022.db2.gz WLLNDHFCHFJNRO-OAHLLOKOSA-N -1 3 352.369 3.169 20 0 FGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)[C@@H]1CCCc2ccccc21 ZINC000826466285 608442024 /nfs/dbraw/zinc/44/20/24/608442024.db2.gz WLLNDHFCHFJNRO-OAHLLOKOSA-N -1 3 352.369 3.169 20 0 FGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)c1[nH]c2ccccc2c1Cl ZINC000826466249 608442040 /nfs/dbraw/zinc/44/20/40/608442040.db2.gz VAYUZDJZCFOQQK-UHFFFAOYSA-N -1 3 371.759 3.498 20 0 FGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)c1[nH]c2ccccc2c1Cl ZINC000826466249 608442042 /nfs/dbraw/zinc/44/20/42/608442042.db2.gz VAYUZDJZCFOQQK-UHFFFAOYSA-N -1 3 371.759 3.498 20 0 FGADHM COc1ccccc1[C@@H](C)CC(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826218456 608446205 /nfs/dbraw/zinc/44/62/05/608446205.db2.gz CKLKKQXJBANHFY-LBPRGKRZSA-N -1 3 370.384 3.251 20 0 FGADHM COc1ccccc1[C@@H](C)CC(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826218456 608446208 /nfs/dbraw/zinc/44/62/08/608446208.db2.gz CKLKKQXJBANHFY-LBPRGKRZSA-N -1 3 370.384 3.251 20 0 FGADHM Cc1ccc(F)cc1C(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826289486 608481889 /nfs/dbraw/zinc/48/18/89/608481889.db2.gz CDRYMBBCVXNPEV-UHFFFAOYSA-N -1 3 363.396 3.244 20 0 FGADHM Cc1ccc(F)cc1C(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826289486 608481891 /nfs/dbraw/zinc/48/18/91/608481891.db2.gz CDRYMBBCVXNPEV-UHFFFAOYSA-N -1 3 363.396 3.244 20 0 FGADHM C[C@@H](NCc1cc(-c2cccs2)on1)c1cccc(-c2nn[n-]n2)c1 ZINC000824605209 608482552 /nfs/dbraw/zinc/48/25/52/608482552.db2.gz GMLBWQRKPIWANK-LLVKDONJSA-N -1 3 352.423 3.434 20 0 FGADHM O=C(C1CCC(F)(F)CC1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826399521 608483551 /nfs/dbraw/zinc/48/35/51/608483551.db2.gz YAMVCHAHPMJULC-UHFFFAOYSA-N -1 3 373.407 3.308 20 0 FGADHM O=C(C1CCC(F)(F)CC1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826399521 608483552 /nfs/dbraw/zinc/48/35/52/608483552.db2.gz YAMVCHAHPMJULC-UHFFFAOYSA-N -1 3 373.407 3.308 20 0 FGADHM CC(C)(C(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1)c1ccccc1 ZINC000824058714 608486098 /nfs/dbraw/zinc/48/60/98/608486098.db2.gz ASBQWDNIJONCPZ-UHFFFAOYSA-N -1 3 373.460 3.460 20 0 FGADHM CC(C)(C(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1)c1ccccc1 ZINC000824058714 608486100 /nfs/dbraw/zinc/48/61/00/608486100.db2.gz ASBQWDNIJONCPZ-UHFFFAOYSA-N -1 3 373.460 3.460 20 0 FGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)Nc1c(F)cc(Cl)cc1F ZINC000826441155 608509771 /nfs/dbraw/zinc/50/97/71/608509771.db2.gz QKPNRHDJNDEVJU-UHFFFAOYSA-N -1 3 364.743 3.120 20 0 FGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)Nc1c(F)cc(Cl)cc1F ZINC000826441155 608509772 /nfs/dbraw/zinc/50/97/72/608509772.db2.gz QKPNRHDJNDEVJU-UHFFFAOYSA-N -1 3 364.743 3.120 20 0 FGADHM CCCCn1nc(C)c(CN(C)Cc2cccc(-c3nnn[n-]3)c2)c1Cl ZINC000825300602 608521223 /nfs/dbraw/zinc/52/12/23/608521223.db2.gz BQEVISRETAUMMK-UHFFFAOYSA-N -1 3 373.892 3.457 20 0 FGADHM CCCCn1nc(C)c(CN(C)Cc2cccc(-c3nn[n-]n3)c2)c1Cl ZINC000825300602 608521225 /nfs/dbraw/zinc/52/12/25/608521225.db2.gz BQEVISRETAUMMK-UHFFFAOYSA-N -1 3 373.892 3.457 20 0 FGADHM C[C@@H](NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)c1nccn1C ZINC000824613631 608526313 /nfs/dbraw/zinc/52/63/13/608526313.db2.gz WDEUHEAXCNGETP-CQSZACIVSA-N -1 3 359.437 3.118 20 0 FGADHM CSc1nc(C2CC2)cc(C(=O)N[C@@H]2CCC(C)(C)C2)c1-c1nnn[n-]1 ZINC000826231523 608555387 /nfs/dbraw/zinc/55/53/87/608555387.db2.gz OWLVHLHBVDKMMN-LLVKDONJSA-N -1 3 372.498 3.170 20 0 FGADHM O=C(Nc1ccc(-c2ccc[nH]2)cc1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000826451505 608561116 /nfs/dbraw/zinc/56/11/16/608561116.db2.gz JNQDOKLXTVEFOX-UHFFFAOYSA-N -1 3 366.331 3.392 20 0 FGADHM O=C(Nc1ccc(-c2ccc[nH]2)cc1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826451505 608561118 /nfs/dbraw/zinc/56/11/18/608561118.db2.gz JNQDOKLXTVEFOX-UHFFFAOYSA-N -1 3 366.331 3.392 20 0 FGADHM Cc1nc2c(s1)[C@H](N(C)Cc1cccc(-c3nnn[n-]3)c1F)CCC2 ZINC000826327953 608651890 /nfs/dbraw/zinc/65/18/90/608651890.db2.gz ARTUWZWTZUFGGJ-CQSZACIVSA-N -1 3 358.446 3.280 20 0 FGADHM Cc1cccc(CN(Cc2ccc(-c3nn[n-]n3)o2)Cc2ccccn2)c1 ZINC000826298179 608678394 /nfs/dbraw/zinc/67/83/94/608678394.db2.gz HKBHSAMQRHYUOT-UHFFFAOYSA-N -1 3 360.421 3.366 20 0 FGADHM COC(=O)[C@@H](N[C@H](C)c1cc(C)sc1C)c1cccc(-c2nnn[n-]2)c1 ZINC000826111541 608753853 /nfs/dbraw/zinc/75/38/53/608753853.db2.gz GSNZSDOOTPNBSB-BZNIZROVSA-N -1 3 371.466 3.110 20 0 FGADHM COC(=O)[C@@H](N[C@H](C)c1cc(C)sc1C)c1cccc(-c2nn[n-]n2)c1 ZINC000826111541 608753855 /nfs/dbraw/zinc/75/38/55/608753855.db2.gz GSNZSDOOTPNBSB-BZNIZROVSA-N -1 3 371.466 3.110 20 0 FGADHM Cc1nc(-c2ccc(CCNc3cnccc3-c3nnn[n-]3)cc2)cs1 ZINC000826322456 608769462 /nfs/dbraw/zinc/76/94/62/608769462.db2.gz NFDRVUSPCDNGER-UHFFFAOYSA-N -1 3 363.450 3.348 20 0 FGADHM Cc1nc(-c2ccc(CCNc3cnccc3-c3nn[n-]n3)cc2)cs1 ZINC000826322456 608769465 /nfs/dbraw/zinc/76/94/65/608769465.db2.gz NFDRVUSPCDNGER-UHFFFAOYSA-N -1 3 363.450 3.348 20 0 FGADHM Cc1c(NC(=O)NCC2(C)Cc3ccccc3C2)cccc1-c1nnn[n-]1 ZINC000826241789 608817606 /nfs/dbraw/zinc/81/76/06/608817606.db2.gz OSMVYECOJPAGPX-UHFFFAOYSA-N -1 3 362.437 3.102 20 0 FGADHM Cc1c(NC(=O)NCC2(C)Cc3ccccc3C2)cccc1-c1nn[n-]n1 ZINC000826241789 608817609 /nfs/dbraw/zinc/81/76/09/608817609.db2.gz OSMVYECOJPAGPX-UHFFFAOYSA-N -1 3 362.437 3.102 20 0 FGADHM Cc1nc(CN[C@@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)nc2ccccc12 ZINC000826326154 609140485 /nfs/dbraw/zinc/14/04/85/609140485.db2.gz CWDXVBBZLPWCFY-NSHDSACASA-N -1 3 363.400 3.108 20 0 FGADHM Cc1nc(CN[C@@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)nc2ccccc12 ZINC000826326154 609140487 /nfs/dbraw/zinc/14/04/87/609140487.db2.gz CWDXVBBZLPWCFY-NSHDSACASA-N -1 3 363.400 3.108 20 0 FGADHM CC[C@H](C)Oc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)ccn1 ZINC000825075823 609148728 /nfs/dbraw/zinc/14/87/28/609148728.db2.gz QYNYNIJUSKSMCO-JTQLQIEISA-N -1 3 372.816 3.345 20 0 FGADHM CC[C@H](C)Oc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)ccn1 ZINC000825075823 609148730 /nfs/dbraw/zinc/14/87/30/609148730.db2.gz QYNYNIJUSKSMCO-JTQLQIEISA-N -1 3 372.816 3.345 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1CCO[C@H](CCC)C1 ZINC000825332302 609156298 /nfs/dbraw/zinc/15/62/98/609156298.db2.gz GRPWQMQDLAXANV-HUUCEWRRSA-N -1 3 372.473 3.222 20 0 FGADHM Cc1nc2c(s1)[C@@H](NC(=O)Nc1cc(-c3nnn[n-]3)ccc1C)CCC2 ZINC000826327949 609157430 /nfs/dbraw/zinc/15/74/30/609157430.db2.gz AMOPWGKINRZYHT-ZDUSSCGKSA-N -1 3 369.454 3.139 20 0 FGADHM Cc1nc2c(s1)[C@@H](NC(=O)Nc1cc(-c3nn[n-]n3)ccc1C)CCC2 ZINC000826327949 609157433 /nfs/dbraw/zinc/15/74/33/609157433.db2.gz AMOPWGKINRZYHT-ZDUSSCGKSA-N -1 3 369.454 3.139 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1C[C@@H](C(F)(F)F)CC[C@@H]1C ZINC000826277893 609157701 /nfs/dbraw/zinc/15/77/01/609157701.db2.gz LBYAXJZEQIPJMN-JQWIXIFHSA-N -1 3 368.363 3.370 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1C[C@@H](C(F)(F)F)CC[C@@H]1C ZINC000826277893 609157703 /nfs/dbraw/zinc/15/77/03/609157703.db2.gz LBYAXJZEQIPJMN-JQWIXIFHSA-N -1 3 368.363 3.370 20 0 FGADHM CSCCCC(=O)Nc1c(-c2nnn[n-]2)c(C)c(C)n1-c1ccccc1 ZINC000826228020 609167603 /nfs/dbraw/zinc/16/76/03/609167603.db2.gz BMADIXKQBFYINF-UHFFFAOYSA-N -1 3 370.482 3.356 20 0 FGADHM CSCCCC(=O)Nc1c(-c2nn[n-]n2)c(C)c(C)n1-c1ccccc1 ZINC000826228020 609167604 /nfs/dbraw/zinc/16/76/04/609167604.db2.gz BMADIXKQBFYINF-UHFFFAOYSA-N -1 3 370.482 3.356 20 0 FGADHM CCOC(=O)Nc1ccc(NC[C@@H]2CCO[C@@H](CC)C2)cc1-c1nnn[n-]1 ZINC000825553398 609171978 /nfs/dbraw/zinc/17/19/78/609171978.db2.gz PNXNORXDPYMRMU-OCCSQVGLSA-N -1 3 374.445 3.052 20 0 FGADHM CCOC(=O)Nc1ccc(NC[C@@H]2CCO[C@@H](CC)C2)cc1-c1nn[n-]n1 ZINC000825553398 609171979 /nfs/dbraw/zinc/17/19/79/609171979.db2.gz PNXNORXDPYMRMU-OCCSQVGLSA-N -1 3 374.445 3.052 20 0 FGADHM Cn1ccc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCCC3)c1 ZINC000826362920 609175044 /nfs/dbraw/zinc/17/50/44/609175044.db2.gz OHMBBAYNMMRAEZ-UHFFFAOYSA-N -1 3 356.455 3.178 20 0 FGADHM Cn1ccc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCCC3)c1 ZINC000826362920 609175047 /nfs/dbraw/zinc/17/50/47/609175047.db2.gz OHMBBAYNMMRAEZ-UHFFFAOYSA-N -1 3 356.455 3.178 20 0 FGADHM CCNc1ccc(-c2nn[n-]n2)cc1NCc1cnoc1-c1ccco1 ZINC000825481444 609178322 /nfs/dbraw/zinc/17/83/22/609178322.db2.gz ZDPMALONIUHRLW-UHFFFAOYSA-N -1 3 351.370 3.159 20 0 FGADHM CCCc1ccc([C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C(C)C)cc1 ZINC000825348577 609190551 /nfs/dbraw/zinc/19/05/51/609190551.db2.gz QONQNOXCBUKQNF-KRWDZBQOSA-N -1 3 352.442 3.274 20 0 FGADHM CCCc1ccc([C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C(C)C)cc1 ZINC000825348577 609190554 /nfs/dbraw/zinc/19/05/54/609190554.db2.gz QONQNOXCBUKQNF-KRWDZBQOSA-N -1 3 352.442 3.274 20 0 FGADHM Cc1ccccc1C1(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCCC1 ZINC000826307210 609205421 /nfs/dbraw/zinc/20/54/21/609205421.db2.gz YXDQXTRLGIKVTC-UHFFFAOYSA-N -1 3 364.453 3.135 20 0 FGADHM Cc1ccccc1C1(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCCC1 ZINC000826307210 609205423 /nfs/dbraw/zinc/20/54/23/609205423.db2.gz YXDQXTRLGIKVTC-UHFFFAOYSA-N -1 3 364.453 3.135 20 0 FGADHM C[C@H](c1ccc(Cl)cc1)N(C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC000824761781 609209157 /nfs/dbraw/zinc/20/91/57/609209157.db2.gz CJRNHUQXHXEOLT-SNVBAGLBSA-N -1 3 356.817 3.214 20 0 FGADHM C[C@H](c1ccc(Cl)cc1)N(C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC000824761781 609209159 /nfs/dbraw/zinc/20/91/59/609209159.db2.gz CJRNHUQXHXEOLT-SNVBAGLBSA-N -1 3 356.817 3.214 20 0 FGADHM CC(C)(C)c1ccc(C(C)(C)NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)cc1 ZINC000824136637 609227580 /nfs/dbraw/zinc/22/75/80/609227580.db2.gz SNDGPANNXBXHIU-UHFFFAOYSA-N -1 3 352.442 3.157 20 0 FGADHM CC(C)(C)c1ccc(C(C)(C)NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)cc1 ZINC000824136637 609227581 /nfs/dbraw/zinc/22/75/81/609227581.db2.gz SNDGPANNXBXHIU-UHFFFAOYSA-N -1 3 352.442 3.157 20 0 FGADHM CC(C)c1ccc2c(c1)[C@@H](NC(=O)c1c[nH]c(-c3nnn[n-]3)c1)CCC2 ZINC000824348094 609229230 /nfs/dbraw/zinc/22/92/30/609229230.db2.gz ZFBXQEGUMMXODN-INIZCTEOSA-N -1 3 350.426 3.126 20 0 FGADHM CC(C)c1ccc2c(c1)[C@@H](NC(=O)c1c[nH]c(-c3nn[n-]n3)c1)CCC2 ZINC000824348094 609229232 /nfs/dbraw/zinc/22/92/32/609229232.db2.gz ZFBXQEGUMMXODN-INIZCTEOSA-N -1 3 350.426 3.126 20 0 FGADHM O=C(NC1(c2ccc(F)cc2F)CCCCC1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826427772 609231654 /nfs/dbraw/zinc/23/16/54/609231654.db2.gz ZZTYOBWSHLTBIF-UHFFFAOYSA-N -1 3 372.379 3.062 20 0 FGADHM O=C(NC1(c2ccc(F)cc2F)CCCCC1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826427772 609231656 /nfs/dbraw/zinc/23/16/56/609231656.db2.gz ZZTYOBWSHLTBIF-UHFFFAOYSA-N -1 3 372.379 3.062 20 0 FGADHM CC(=O)c1ccc(C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c(F)c1 ZINC000824019609 609233360 /nfs/dbraw/zinc/23/33/60/609233360.db2.gz IISYFNQDPQMQHM-NSHDSACASA-N -1 3 354.341 3.126 20 0 FGADHM CC(=O)c1ccc(C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c(F)c1 ZINC000824019609 609233362 /nfs/dbraw/zinc/23/33/62/609233362.db2.gz IISYFNQDPQMQHM-NSHDSACASA-N -1 3 354.341 3.126 20 0 FGADHM CC[C@H](C)Oc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)ccn1 ZINC000825074011 609236855 /nfs/dbraw/zinc/23/68/55/609236855.db2.gz CJNRYLYAPNVTJD-JTQLQIEISA-N -1 3 372.816 3.345 20 0 FGADHM CC[C@H](C)Oc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)ccn1 ZINC000825074011 609236856 /nfs/dbraw/zinc/23/68/56/609236856.db2.gz CJNRYLYAPNVTJD-JTQLQIEISA-N -1 3 372.816 3.345 20 0 FGADHM COCCOc1ccc(N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c(C)c1 ZINC000826162948 609237161 /nfs/dbraw/zinc/23/71/61/609237161.db2.gz ZQGSFXOHOKTUEF-AWEZNQCLSA-N -1 3 353.426 3.373 20 0 FGADHM COCCOc1ccc(N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c(C)c1 ZINC000826162948 609237163 /nfs/dbraw/zinc/23/71/63/609237163.db2.gz ZQGSFXOHOKTUEF-AWEZNQCLSA-N -1 3 353.426 3.373 20 0 FGADHM CCCCC[C@H](C)Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1 ZINC000825267999 609242121 /nfs/dbraw/zinc/24/21/21/609242121.db2.gz POXTVSSZVWXIKN-AWEZNQCLSA-N -1 3 358.490 3.209 20 0 FGADHM CCCCC[C@H](C)Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1 ZINC000825267999 609242123 /nfs/dbraw/zinc/24/21/23/609242123.db2.gz POXTVSSZVWXIKN-AWEZNQCLSA-N -1 3 358.490 3.209 20 0 FGADHM COc1cc(F)c(N[C@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)cc1OC ZINC000826180149 609254784 /nfs/dbraw/zinc/25/47/84/609254784.db2.gz URSORFNVJWWXIJ-SECBINFHSA-N -1 3 361.352 3.335 20 0 FGADHM COc1cc(F)c(N[C@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)cc1OC ZINC000826180149 609254786 /nfs/dbraw/zinc/25/47/86/609254786.db2.gz URSORFNVJWWXIJ-SECBINFHSA-N -1 3 361.352 3.335 20 0 FGADHM CCNC(=O)c1ccc(C)c(N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000825476505 609273906 /nfs/dbraw/zinc/27/39/06/609273906.db2.gz MAJXFUBIGYSXGN-ZDUSSCGKSA-N -1 3 350.426 3.098 20 0 FGADHM CCNC(=O)c1ccc(C)c(N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000825476505 609273907 /nfs/dbraw/zinc/27/39/07/609273907.db2.gz MAJXFUBIGYSXGN-ZDUSSCGKSA-N -1 3 350.426 3.098 20 0 FGADHM CCNC(=O)c1ccc(C)c(N[C@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC000825476694 609275167 /nfs/dbraw/zinc/27/51/67/609275167.db2.gz SIWFFKOTYWRMLH-GFCCVEGCSA-N -1 3 368.416 3.237 20 0 FGADHM CCNC(=O)c1ccc(C)c(N[C@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC000825476694 609275168 /nfs/dbraw/zinc/27/51/68/609275168.db2.gz SIWFFKOTYWRMLH-GFCCVEGCSA-N -1 3 368.416 3.237 20 0 FGADHM COCCCOc1ccccc1N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826157212 609277245 /nfs/dbraw/zinc/27/72/45/609277245.db2.gz LRBYZRDVEZOAEU-CQSZACIVSA-N -1 3 353.426 3.455 20 0 FGADHM COCCCOc1ccccc1N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826157212 609277246 /nfs/dbraw/zinc/27/72/46/609277246.db2.gz LRBYZRDVEZOAEU-CQSZACIVSA-N -1 3 353.426 3.455 20 0 FGADHM Cc1c(N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cccc1N1CCOC1=O ZINC000826242364 609279983 /nfs/dbraw/zinc/27/99/83/609279983.db2.gz LUMXJQCANJVDNB-ZDUSSCGKSA-N -1 3 364.409 3.305 20 0 FGADHM Cc1c(N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cccc1N1CCOC1=O ZINC000826242364 609279985 /nfs/dbraw/zinc/27/99/85/609279985.db2.gz LUMXJQCANJVDNB-ZDUSSCGKSA-N -1 3 364.409 3.305 20 0 FGADHM Cc1nnc(-c2cccc(N[C@@H](C)c3ccc(-c4nnn[n-]4)cc3)c2)n1C ZINC000826335642 609280261 /nfs/dbraw/zinc/28/02/61/609280261.db2.gz VUOIUCLOLSESQO-LBPRGKRZSA-N -1 3 360.425 3.144 20 0 FGADHM Cc1nnc(-c2cccc(N[C@@H](C)c3ccc(-c4nn[n-]n4)cc3)c2)n1C ZINC000826335642 609280262 /nfs/dbraw/zinc/28/02/62/609280262.db2.gz VUOIUCLOLSESQO-LBPRGKRZSA-N -1 3 360.425 3.144 20 0 FGADHM Cc1ccc(SCCNC(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)cc1 ZINC000826293684 609288642 /nfs/dbraw/zinc/28/86/42/609288642.db2.gz YGPCYVFWZMIGNT-UHFFFAOYSA-N -1 3 373.869 3.351 20 0 FGADHM Cc1ccc(SCCNC(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)cc1 ZINC000826293684 609288644 /nfs/dbraw/zinc/28/86/44/609288644.db2.gz YGPCYVFWZMIGNT-UHFFFAOYSA-N -1 3 373.869 3.351 20 0 FGADHM CC[C@@H](C)n1nc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCC3)cc1C ZINC000825081723 609303862 /nfs/dbraw/zinc/30/38/62/609303862.db2.gz MUSFASZRYJEBFT-SECBINFHSA-N -1 3 371.470 3.145 20 0 FGADHM CC[C@@H](C)n1nc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)cc1C ZINC000825081723 609303864 /nfs/dbraw/zinc/30/38/64/609303864.db2.gz MUSFASZRYJEBFT-SECBINFHSA-N -1 3 371.470 3.145 20 0 FGADHM Brc1cc(-c2nnn[n-]2)ccc1CSC1CCOCC1 ZINC000823820354 609312130 /nfs/dbraw/zinc/31/21/30/609312130.db2.gz COFDGMWNBMEACC-UHFFFAOYSA-N -1 3 355.261 3.041 20 0 FGADHM Brc1cc(-c2nn[n-]n2)ccc1CSC1CCOCC1 ZINC000823820354 609312131 /nfs/dbraw/zinc/31/21/31/609312131.db2.gz COFDGMWNBMEACC-UHFFFAOYSA-N -1 3 355.261 3.041 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H](F)Cc1ccccc1 ZINC000825313316 609312781 /nfs/dbraw/zinc/31/27/81/609312781.db2.gz ANICLCLQZPQLCJ-SFHVURJKSA-N -1 3 367.428 3.186 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@H](F)Cc1ccccc1 ZINC000825313316 609312783 /nfs/dbraw/zinc/31/27/83/609312783.db2.gz ANICLCLQZPQLCJ-SFHVURJKSA-N -1 3 367.428 3.186 20 0 FGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H](F)Cc1ccccc1 ZINC000824319723 609313829 /nfs/dbraw/zinc/31/38/29/609313829.db2.gz ZUHHJQYNVHGFSZ-HNNXBMFYSA-N -1 3 369.400 3.173 20 0 FGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H](F)Cc1ccccc1 ZINC000824319723 609313832 /nfs/dbraw/zinc/31/38/32/609313832.db2.gz ZUHHJQYNVHGFSZ-HNNXBMFYSA-N -1 3 369.400 3.173 20 0 FGADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2cc(C)n([C@@H](C)CC)n2)s1 ZINC000825694675 609314263 /nfs/dbraw/zinc/31/42/63/609314263.db2.gz ZCLAIYKLZPEKLU-VIFPVBQESA-N -1 3 359.459 3.219 20 0 FGADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2cc(C)n([C@@H](C)CC)n2)s1 ZINC000825694675 609314264 /nfs/dbraw/zinc/31/42/64/609314264.db2.gz ZCLAIYKLZPEKLU-VIFPVBQESA-N -1 3 359.459 3.219 20 0 FGADHM CC(C)Oc1ccc(NC(=O)[C@H](F)Cc2ccccc2)cc1-c1nnn[n-]1 ZINC000824324295 609317508 /nfs/dbraw/zinc/31/75/08/609317508.db2.gz KCYOEWDZUJAVRX-MRXNPFEDSA-N -1 3 369.400 3.173 20 0 FGADHM CC(C)Oc1ccc(NC(=O)[C@H](F)Cc2ccccc2)cc1-c1nn[n-]n1 ZINC000824324295 609317510 /nfs/dbraw/zinc/31/75/10/609317510.db2.gz KCYOEWDZUJAVRX-MRXNPFEDSA-N -1 3 369.400 3.173 20 0 FGADHM Cc1ccc(CNc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)cc1C ZINC000826288786 609320070 /nfs/dbraw/zinc/32/00/70/609320070.db2.gz WQIJKHOCCMGBQQ-UHFFFAOYSA-N -1 3 363.400 3.420 20 0 FGADHM c1cc(OCCSCc2ccc3c(c2)COC3)cc(-c2nnn[n-]2)c1 ZINC000826517886 609330185 /nfs/dbraw/zinc/33/01/85/609330185.db2.gz SBIZROZJBGSQHH-UHFFFAOYSA-N -1 3 354.435 3.209 20 0 FGADHM c1cc(OCCSCc2ccc3c(c2)COC3)cc(-c2nn[n-]n2)c1 ZINC000826517886 609330187 /nfs/dbraw/zinc/33/01/87/609330187.db2.gz SBIZROZJBGSQHH-UHFFFAOYSA-N -1 3 354.435 3.209 20 0 FGADHM CC(C)[C@@H](N[C@H](C)c1ccc(-c2nnn[n-]2)cc1F)c1nc(C2CC2)no1 ZINC000824538331 609340428 /nfs/dbraw/zinc/34/04/28/609340428.db2.gz IAOHUAURWXXEHR-MEBBXXQBSA-N -1 3 371.420 3.314 20 0 FGADHM CC(C)[C@@H](N[C@H](C)c1ccc(-c2nn[n-]n2)cc1F)c1nc(C2CC2)no1 ZINC000824538331 609340429 /nfs/dbraw/zinc/34/04/29/609340429.db2.gz IAOHUAURWXXEHR-MEBBXXQBSA-N -1 3 371.420 3.314 20 0 FGADHM COCCOCc1cccc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000826161135 609346104 /nfs/dbraw/zinc/34/61/04/609346104.db2.gz VKGXEYQURZCLCM-CYBMUJFWSA-N -1 3 371.416 3.342 20 0 FGADHM COCCOCc1cccc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000826161135 609346105 /nfs/dbraw/zinc/34/61/05/609346105.db2.gz VKGXEYQURZCLCM-CYBMUJFWSA-N -1 3 371.416 3.342 20 0 FGADHM Cc1ccc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2F)cc1C(=O)N(C)C ZINC000826291424 609350012 /nfs/dbraw/zinc/35/00/12/609350012.db2.gz FKUCSTGWMCFNEO-GFCCVEGCSA-N -1 3 368.416 3.189 20 0 FGADHM Cc1ccc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2F)cc1C(=O)N(C)C ZINC000826291424 609350014 /nfs/dbraw/zinc/35/00/14/609350014.db2.gz FKUCSTGWMCFNEO-GFCCVEGCSA-N -1 3 368.416 3.189 20 0 FGADHM COC(=O)[C@@H](Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)C1CC1 ZINC000826111332 609372837 /nfs/dbraw/zinc/37/28/37/609372837.db2.gz CZSOQFQWMWHAEU-KRWDZBQOSA-N -1 3 365.393 3.023 20 0 FGADHM COC(=O)[C@@H](Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)C1CC1 ZINC000826111332 609372840 /nfs/dbraw/zinc/37/28/40/609372840.db2.gz CZSOQFQWMWHAEU-KRWDZBQOSA-N -1 3 365.393 3.023 20 0 FGADHM CCN(C(=O)C[C@@H]1CCO[C@H](C(C)C)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825366723 609392591 /nfs/dbraw/zinc/39/25/91/609392591.db2.gz FKDZUQLVKZWVAG-PBHICJAKSA-N -1 3 357.458 3.061 20 0 FGADHM CCN(C(=O)C[C@@H]1CCO[C@H](C(C)C)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825366723 609392592 /nfs/dbraw/zinc/39/25/92/609392592.db2.gz FKDZUQLVKZWVAG-PBHICJAKSA-N -1 3 357.458 3.061 20 0 FGADHM FC(F)(F)c1ccc(CNc2nc3ccccn3c2-c2nnn[n-]2)cc1 ZINC000826368613 609457677 /nfs/dbraw/zinc/45/76/77/609457677.db2.gz WLSIUFUEKDEWJN-UHFFFAOYSA-N -1 3 359.315 3.145 20 0 FGADHM FC(F)(F)c1ccc(CNc2nc3ccccn3c2-c2nn[n-]n2)cc1 ZINC000826368613 609457679 /nfs/dbraw/zinc/45/76/79/609457679.db2.gz WLSIUFUEKDEWJN-UHFFFAOYSA-N -1 3 359.315 3.145 20 0 FGADHM Cc1ccc(N(Cc2cccs2)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)cc1 ZINC000826289640 609459239 /nfs/dbraw/zinc/45/92/39/609459239.db2.gz HPQXOMFROAWPJZ-UHFFFAOYSA-N -1 3 364.434 3.412 20 0 FGADHM Cc1ccc(N(Cc2cccs2)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)cc1 ZINC000826289640 609459242 /nfs/dbraw/zinc/45/92/42/609459242.db2.gz HPQXOMFROAWPJZ-UHFFFAOYSA-N -1 3 364.434 3.412 20 0 FGADHM C[C@@H](Nc1nc2ccccn2c1-c1nnn[n-]1)c1ccc(F)c(Cl)c1 ZINC000824662616 609463223 /nfs/dbraw/zinc/46/32/23/609463223.db2.gz OAKZQKOAYVFYFS-SECBINFHSA-N -1 3 357.780 3.480 20 0 FGADHM C[C@@H](Nc1nc2ccccn2c1-c1nn[n-]n1)c1ccc(F)c(Cl)c1 ZINC000824662616 609463225 /nfs/dbraw/zinc/46/32/25/609463225.db2.gz OAKZQKOAYVFYFS-SECBINFHSA-N -1 3 357.780 3.480 20 0 FGADHM c1cc(-c2ccccc2)oc1CNc1nc2ccccn2c1-c1nnn[n-]1 ZINC000826519083 609465019 /nfs/dbraw/zinc/46/50/19/609465019.db2.gz JHWBNGXOVRZKJY-UHFFFAOYSA-N -1 3 357.377 3.387 20 0 FGADHM c1cc(-c2ccccc2)oc1CNc1nc2ccccn2c1-c1nn[n-]n1 ZINC000826519083 609465021 /nfs/dbraw/zinc/46/50/21/609465021.db2.gz JHWBNGXOVRZKJY-UHFFFAOYSA-N -1 3 357.377 3.387 20 0 FGADHM Cc1cc(NCc2cccc(-c3nnn[n-]3)c2F)nn1-c1ccc(C)cc1 ZINC000826281131 609482105 /nfs/dbraw/zinc/48/21/05/609482105.db2.gz GGFPMDBVPNLZEF-UHFFFAOYSA-N -1 3 363.400 3.420 20 0 FGADHM Cc1cc(NCc2cccc(-c3nn[n-]n3)c2F)nn1-c1ccc(C)cc1 ZINC000826281131 609482107 /nfs/dbraw/zinc/48/21/07/609482107.db2.gz GGFPMDBVPNLZEF-UHFFFAOYSA-N -1 3 363.400 3.420 20 0 FGADHM COc1ccc2oc(CNc3cc(-c4nnn[n-]4)ccc3OC)cc2c1 ZINC000826213557 609482171 /nfs/dbraw/zinc/48/21/71/609482171.db2.gz BHSVYTCGMVQHDM-UHFFFAOYSA-N -1 3 351.366 3.242 20 0 FGADHM COc1ccc2oc(CNc3cc(-c4nn[n-]n4)ccc3OC)cc2c1 ZINC000826213557 609482173 /nfs/dbraw/zinc/48/21/73/609482173.db2.gz BHSVYTCGMVQHDM-UHFFFAOYSA-N -1 3 351.366 3.242 20 0 FGADHM CCOCc1cc(CNc2cc(-c3nnn[n-]3)ccc2OC)ccc1OC ZINC000825605125 609483025 /nfs/dbraw/zinc/48/30/25/609483025.db2.gz QMLHQUKBJAFSHB-UHFFFAOYSA-N -1 3 369.425 3.033 20 0 FGADHM CCOCc1cc(CNc2cc(-c3nn[n-]n3)ccc2OC)ccc1OC ZINC000825605125 609483026 /nfs/dbraw/zinc/48/30/26/609483026.db2.gz QMLHQUKBJAFSHB-UHFFFAOYSA-N -1 3 369.425 3.033 20 0 FGADHM C[C@@H]1CCC[C@@H]1C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000824926659 609486947 /nfs/dbraw/zinc/48/69/47/609486947.db2.gz KSHNLLGLDYWRMI-WBMJQRKESA-N -1 3 364.409 3.429 20 0 FGADHM C[C@@H]1CCC[C@@H]1C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000824926659 609486949 /nfs/dbraw/zinc/48/69/49/609486949.db2.gz KSHNLLGLDYWRMI-WBMJQRKESA-N -1 3 364.409 3.429 20 0 FGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H](C)c1ccccc1 ZINC000824319693 609491897 /nfs/dbraw/zinc/49/18/97/609491897.db2.gz YVMMJYUCUJFSPK-ZDUSSCGKSA-N -1 3 351.410 3.396 20 0 FGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H](C)c1ccccc1 ZINC000824319693 609491898 /nfs/dbraw/zinc/49/18/98/609491898.db2.gz YVMMJYUCUJFSPK-ZDUSSCGKSA-N -1 3 351.410 3.396 20 0 FGADHM COc1cccc(CNc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)c1OC ZINC000826215970 609492960 /nfs/dbraw/zinc/49/29/60/609492960.db2.gz FADOHKJUBHMNOV-UHFFFAOYSA-N -1 3 369.425 3.283 20 0 FGADHM COc1cccc(CNc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)c1OC ZINC000826215970 609492963 /nfs/dbraw/zinc/49/29/63/609492963.db2.gz FADOHKJUBHMNOV-UHFFFAOYSA-N -1 3 369.425 3.283 20 0 FGADHM Cc1nn(-c2ccc(-c3nn[n-]n3)cc2)c(NC(=O)[C@@H]2CCC[C@H]2C)c1C ZINC000826331765 609503386 /nfs/dbraw/zinc/50/33/86/609503386.db2.gz XHFQVAKTTNIBCO-BDJLRTHQSA-N -1 3 365.441 3.044 20 0 FGADHM Cc1c(Cl)cnc(NCc2ccccc2OC(F)F)c1-c1nnn[n-]1 ZINC000826240075 609527191 /nfs/dbraw/zinc/52/71/91/609527191.db2.gz ATUVKFXJXBUFMG-UHFFFAOYSA-N -1 3 366.759 3.437 20 0 FGADHM Cc1c(Cl)cnc(NCc2ccccc2OC(F)F)c1-c1nn[n-]n1 ZINC000826240075 609527192 /nfs/dbraw/zinc/52/71/92/609527192.db2.gz ATUVKFXJXBUFMG-UHFFFAOYSA-N -1 3 366.759 3.437 20 0 FGADHM Cc1c(Cl)cnc(NC[C@@H](O)c2ccc(Cl)cc2)c1-c1nnn[n-]1 ZINC000826239620 609529084 /nfs/dbraw/zinc/52/90/84/609529084.db2.gz LUHAPQGINFWNIA-GFCCVEGCSA-N -1 3 365.224 3.022 20 0 FGADHM Cc1c(Cl)cnc(NC[C@@H](O)c2ccc(Cl)cc2)c1-c1nn[n-]n1 ZINC000826239620 609529085 /nfs/dbraw/zinc/52/90/85/609529085.db2.gz LUHAPQGINFWNIA-GFCCVEGCSA-N -1 3 365.224 3.022 20 0 FGADHM Cc1ccnc(N2CCC(Cc3cccc(F)c3)CC2)c1-c1nnn[n-]1 ZINC000826310020 609537515 /nfs/dbraw/zinc/53/75/15/609537515.db2.gz JKMQITCORDSKKR-UHFFFAOYSA-N -1 3 352.417 3.168 20 0 FGADHM Cc1ccnc(N2CCC(Cc3cccc(F)c3)CC2)c1-c1nn[n-]n1 ZINC000826310020 609537516 /nfs/dbraw/zinc/53/75/16/609537516.db2.gz JKMQITCORDSKKR-UHFFFAOYSA-N -1 3 352.417 3.168 20 0 FGADHM Cc1noc(C2CCC(Nc3ncc(Cl)c(C)c3-c3nnn[n-]3)CC2)n1 ZINC000826339630 609573533 /nfs/dbraw/zinc/57/35/33/609573533.db2.gz MHZJDFFOWVOLRU-UHFFFAOYSA-N -1 3 374.836 3.053 20 0 FGADHM Cc1noc(C2CCC(Nc3ncc(Cl)c(C)c3-c3nn[n-]n3)CC2)n1 ZINC000826339630 609573536 /nfs/dbraw/zinc/57/35/36/609573536.db2.gz MHZJDFFOWVOLRU-UHFFFAOYSA-N -1 3 374.836 3.053 20 0 FGADHM Cc1c(Cl)cnc(N[C@@H]2CCCc3cn(C(C)C)nc32)c1-c1nnn[n-]1 ZINC000826239113 609586679 /nfs/dbraw/zinc/58/66/79/609586679.db2.gz YAUSHIAOVLRGQQ-CYBMUJFWSA-N -1 3 372.864 3.490 20 0 FGADHM Cc1c(Cl)cnc(N[C@@H]2CCCc3cn(C(C)C)nc32)c1-c1nn[n-]n1 ZINC000826239113 609586682 /nfs/dbraw/zinc/58/66/82/609586682.db2.gz YAUSHIAOVLRGQQ-CYBMUJFWSA-N -1 3 372.864 3.490 20 0 FGADHM Cc1c(Cl)cnc(N[C@H]2CCCc3cn(C(C)C)nc32)c1-c1nnn[n-]1 ZINC000826239114 609586787 /nfs/dbraw/zinc/58/67/87/609586787.db2.gz YAUSHIAOVLRGQQ-ZDUSSCGKSA-N -1 3 372.864 3.490 20 0 FGADHM Cc1c(Cl)cnc(N[C@H]2CCCc3cn(C(C)C)nc32)c1-c1nn[n-]n1 ZINC000826239114 609586789 /nfs/dbraw/zinc/58/67/89/609586789.db2.gz YAUSHIAOVLRGQQ-ZDUSSCGKSA-N -1 3 372.864 3.490 20 0 FGADHM Cc1c(Cl)cnc(N2Cc3ccccc3OC[C@H]2C)c1-c1nnn[n-]1 ZINC000826238276 609586833 /nfs/dbraw/zinc/58/68/33/609586833.db2.gz BUTKGNXEUBOBRV-SNVBAGLBSA-N -1 3 356.817 3.011 20 0 FGADHM Cc1c(Cl)cnc(N2Cc3ccccc3OC[C@H]2C)c1-c1nn[n-]n1 ZINC000826238276 609586835 /nfs/dbraw/zinc/58/68/35/609586835.db2.gz BUTKGNXEUBOBRV-SNVBAGLBSA-N -1 3 356.817 3.011 20 0 FGADHM CCc1nnc(Nc2cc(C)n([C@H](C)C3CC3)n2)c(-c2nnn[n-]2)c1CC ZINC000825771445 609587407 /nfs/dbraw/zinc/58/74/07/609587407.db2.gz LYUORHXNOOGPNO-LLVKDONJSA-N -1 3 367.461 3.001 20 0 FGADHM CCc1nnc(Nc2cc(C)n([C@H](C)C3CC3)n2)c(-c2nn[n-]n2)c1CC ZINC000825771445 609587409 /nfs/dbraw/zinc/58/74/09/609587409.db2.gz LYUORHXNOOGPNO-LLVKDONJSA-N -1 3 367.461 3.001 20 0 FGADHM Brc1cc(-c2nn[n-]n2)ccc1NC[C@H]1CCCCS1 ZINC000823826493 609587776 /nfs/dbraw/zinc/58/77/76/609587776.db2.gz KAYMMJPZMYFPMU-SNVBAGLBSA-N -1 3 354.277 3.327 20 0 FGADHM Cc1ccc(N2CCN(c3cc(-c4nnn[n-]4)c4ccccc4n3)CC2)cc1 ZINC000826290510 609595542 /nfs/dbraw/zinc/59/55/42/609595542.db2.gz OSCXSHMGKIRAIB-UHFFFAOYSA-N -1 3 371.448 3.050 20 0 FGADHM Cc1ccc(N2CCN(c3cc(-c4nn[n-]n4)c4ccccc4n3)CC2)cc1 ZINC000826290510 609595544 /nfs/dbraw/zinc/59/55/44/609595544.db2.gz OSCXSHMGKIRAIB-UHFFFAOYSA-N -1 3 371.448 3.050 20 0 FGADHM Cc1cc(C)cc([C@@H]2CCN(c3nc4ccccn4c3-c3nnn[n-]3)C2)c1 ZINC000826264340 609602625 /nfs/dbraw/zinc/60/26/25/609602625.db2.gz KVFFVIKKARZKLO-OAHLLOKOSA-N -1 3 359.437 3.125 20 0 FGADHM Cc1cc(C)cc([C@@H]2CCN(c3nc4ccccn4c3-c3nn[n-]n3)C2)c1 ZINC000826264340 609602627 /nfs/dbraw/zinc/60/26/27/609602627.db2.gz KVFFVIKKARZKLO-OAHLLOKOSA-N -1 3 359.437 3.125 20 0 FGADHM CC(C)CCO[C@@H](C)C(=O)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000824249930 609615360 /nfs/dbraw/zinc/61/53/60/609615360.db2.gz YFUBGQUVJXQUBY-NSHDSACASA-N -1 3 352.822 3.015 20 0 FGADHM CC(C)CCO[C@@H](C)C(=O)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000824249930 609615361 /nfs/dbraw/zinc/61/53/61/609615361.db2.gz YFUBGQUVJXQUBY-NSHDSACASA-N -1 3 352.822 3.015 20 0 FGADHM O=C(COC(=O)C1(c2ccccc2)CCCC1)[N-]C(=O)c1cccs1 ZINC000007293422 695566337 /nfs/dbraw/zinc/56/63/37/695566337.db2.gz LFOQDUHQDSKBJF-UHFFFAOYSA-N -1 3 357.431 3.060 20 0 FGADHM O=C(COC(=O)c1cc2cc(Cl)ccc2o1)[N-]C(=O)c1cccs1 ZINC000007377519 695567744 /nfs/dbraw/zinc/56/77/44/695567744.db2.gz VILWLYCQPJYIAI-UHFFFAOYSA-N -1 3 363.778 3.261 20 0 FGADHM C=CCNC(=S)Nc1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000007517212 695570865 /nfs/dbraw/zinc/57/08/65/695570865.db2.gz HUYZKGCLHPBYHG-UHFFFAOYSA-N -1 3 365.455 3.099 20 0 FGADHM O=C(COC(=O)c1cc(Cl)cc(Cl)c1)[N-]C(=O)c1cccs1 ZINC000023221118 695660216 /nfs/dbraw/zinc/66/02/16/695660216.db2.gz XKXIKLOVEBBQAF-UHFFFAOYSA-N -1 3 358.202 3.168 20 0 FGADHM COC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2cc3ccsc3[n-]2)c1C ZINC000023346323 695661199 /nfs/dbraw/zinc/66/11/99/695661199.db2.gz VUYBLFHMELMASM-UHFFFAOYSA-N -1 3 360.391 3.001 20 0 FGADHM C[C@@H](OC(=O)c1ccc([O-])cc1)C(=O)N(C)Cc1c(F)cccc1Cl ZINC000028130673 695700763 /nfs/dbraw/zinc/70/07/63/695700763.db2.gz PPMIIZUDNFITMK-LLVKDONJSA-N -1 3 365.788 3.389 20 0 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CC(C)(C)OC(=O)N1CC(C)(OCC(=O)Nc2cc(Cl)ccc2[O-])C1 ZINC000783679281 724778427 /nfs/dbraw/zinc/77/84/27/724778427.db2.gz HTJHUUVQNVWUCJ-UHFFFAOYSA-N -1 3 370.833 3.010 20 0 FGADHM C[C@]1(c2ccccc2)C[C@H]1[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000672386751 721632038 /nfs/dbraw/zinc/63/20/38/721632038.db2.gz JPNODZXBHJHYTQ-UKRRQHHQSA-N -1 3 356.369 3.109 20 0 FGADHM O=S(=O)(Cc1cccc(Cl)c1)[N-][C@H]1COc2cc(F)cc(F)c21 ZINC000673572942 721666432 /nfs/dbraw/zinc/66/64/32/721666432.db2.gz QAVKPSJXBIBBJX-ZDUSSCGKSA-N -1 3 359.781 3.171 20 0 FGADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)C(F)(F)F)c(C)cc1Br ZINC000673576040 721666616 /nfs/dbraw/zinc/66/66/16/721666616.db2.gz BCQWVAVDIUKERQ-QMMMGPOBSA-N -1 3 360.195 3.295 20 0 FGADHM COC[C@H]([N-]S(=O)(=O)c1c(C)ccc2ncccc21)c1ccc(C)o1 ZINC000673824583 721674151 /nfs/dbraw/zinc/67/41/51/721674151.db2.gz NRGMLUJUNLCIJE-INIZCTEOSA-N -1 3 360.435 3.111 20 0 FGADHM CC(C)c1nc(S(=O)(=O)[N-]C[C@@H]2CCCC[C@@H]2C(F)(F)F)c[nH]1 ZINC000674045952 721681148 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Cn1c2ccccc2c2cc(S(=O)(=O)[N-]c3ccncc3F)ccc21 ZINC000679202312 722012714 /nfs/dbraw/zinc/01/27/14/722012714.db2.gz FJTKBRYNJBTVAG-UHFFFAOYSA-N -1 3 355.394 3.088 20 0 FGADHM COc1cccc(S(=O)(=O)[N-][C@]2(C(F)(F)F)CCc3ccccc32)c1 ZINC000680625851 722139909 /nfs/dbraw/zinc/13/99/09/722139909.db2.gz YBPGSBNQZBGOPT-MRXNPFEDSA-N -1 3 371.380 3.378 20 0 FGADHM O=S(=O)(Cc1ccc(OC(F)(F)F)cc1)[N-]c1cnc(C2CC2)nc1 ZINC000682807226 722265775 /nfs/dbraw/zinc/26/57/75/722265775.db2.gz WJVPGLZWMBSMDF-UHFFFAOYSA-N -1 3 373.356 3.195 20 0 FGADHM Cc1ccccc1-c1cnc(CS(=O)(=O)c2nnc(C(C)(C)C)[n-]2)o1 ZINC000683688311 722305451 /nfs/dbraw/zinc/30/54/51/722305451.db2.gz JGLZPJVFVQZMAC-UHFFFAOYSA-N -1 3 360.439 3.040 20 0 FGADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(N(C)C)cc2)cc1OCC ZINC000683924686 722313983 /nfs/dbraw/zinc/31/39/83/722313983.db2.gz NGFYBQYJYLANLR-UHFFFAOYSA-N -1 3 364.467 3.351 20 0 FGADHM Cc1nc(C)c(CCC(=O)N[C@@H]2CCc3sc(Cl)cc32)c(=O)[n-]1 ZINC000685806252 722402875 /nfs/dbraw/zinc/40/28/75/722402875.db2.gz PJJIPSOSZYBSDX-GFCCVEGCSA-N -1 3 351.859 3.250 20 0 FGADHM Cc1c(Br)cccc1NC=C1C(=O)[N-]C(=O)c2ccccc21 ZINC000726931013 722439631 /nfs/dbraw/zinc/43/96/31/722439631.db2.gz KSWKDLDZVQQYBN-UKTHLTGXSA-N -1 3 357.207 3.481 20 0 FGADHM Cc1nn(C)c(C)c1[N-]S(=O)(=O)/C=C/c1ccccc1Br ZINC000727352256 722443652 /nfs/dbraw/zinc/44/36/52/722443652.db2.gz FVYILOCETXMMOC-CMDGGOBGSA-N -1 3 370.272 3.212 20 0 FGADHM CC(=O)c1ccc(S(=O)(=O)[N-]c2c(F)cccc2-n2cccn2)cc1 ZINC000730204480 722466125 /nfs/dbraw/zinc/46/61/25/722466125.db2.gz YAAWNNLPRTXTTC-UHFFFAOYSA-N -1 3 359.382 3.015 20 0 FGADHM CC(C)(C)c1nnc(COC(=O)c2cccc(Br)c2[O-])o1 ZINC000730363839 722467745 /nfs/dbraw/zinc/46/77/45/722467745.db2.gz FKDUWHRUHBEFDB-UHFFFAOYSA-N -1 3 355.188 3.192 20 0 FGADHM CCC(CC)NC(=O)[C@H](C)OC(=O)c1cccc(Br)c1[O-] ZINC000730364301 722467827 /nfs/dbraw/zinc/46/78/27/722467827.db2.gz JCTYKYYZKZNNIO-VIFPVBQESA-N -1 3 358.232 3.005 20 0 FGADHM O=S(=O)([N-]CCCc1cccc(F)c1)c1ccc(Cl)nc1Cl ZINC000731673692 722477229 /nfs/dbraw/zinc/47/72/29/722477229.db2.gz NGYHSYSJOBBIBL-UHFFFAOYSA-N -1 3 363.241 3.439 20 0 FGADHM C[C@@H](OC(=O)c1cncc([O-])c1)C(=O)Nc1cc(Cl)ccc1Cl ZINC000731914894 722479314 /nfs/dbraw/zinc/47/93/14/722479314.db2.gz HVJPWWKRFHYZBA-MRVPVSSYSA-N -1 3 355.177 3.278 20 0 FGADHM Cc1ccc(/C=C/S(=O)(=O)[N-][C@@H](CC(C)C)C(=O)OC(C)C)cc1 ZINC000734003396 722503305 /nfs/dbraw/zinc/50/33/05/722503305.db2.gz MXTRCNAEYJODNV-DVQDXYAYSA-N -1 3 353.484 3.251 20 0 FGADHM O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1ccc2[n-]c(=S)oc2c1 ZINC000735833703 722519526 /nfs/dbraw/zinc/51/95/26/722519526.db2.gz PDMRLFOCGNYAGV-OAHLLOKOSA-N -1 3 353.447 3.121 20 0 FGADHM C[C@@H](CCC(C)(C)C)NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000736052663 722521601 /nfs/dbraw/zinc/52/16/01/722521601.db2.gz KXRUBMGIBSWDGJ-LBPRGKRZSA-N -1 3 370.490 3.211 20 0 FGADHM CCC[C@@](C)(NC(=O)OC(C)(C)C)C(=O)NCc1ccc([O-])c(F)c1 ZINC000738550891 722530729 /nfs/dbraw/zinc/53/07/29/722530729.db2.gz BCKRBEDBWSVIJI-GOSISDBHSA-N -1 3 354.422 3.231 20 0 FGADHM CCCc1ccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)OC)c2)cc1 ZINC000739671024 722533638 /nfs/dbraw/zinc/53/36/38/722533638.db2.gz QAPXLCGXKUZKOS-UHFFFAOYSA-N -1 3 363.435 3.235 20 0 FGADHM O=S(=O)([N-][C@@H]1C[C@H]1Cc1ccccc1)c1ccc(Cl)nc1Cl ZINC000742309682 722554966 /nfs/dbraw/zinc/55/49/66/722554966.db2.gz SWGFRSDKCMXAIM-VXGBXAGGSA-N -1 3 357.262 3.298 20 0 FGADHM CC[C@H](C)C[C@@H](C)NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000742719705 722559315 /nfs/dbraw/zinc/55/93/15/722559315.db2.gz IDCSMIJWCFKILN-QWHCGFSZSA-N -1 3 372.506 3.457 20 0 FGADHM O=S(=O)([N-]Cc1ccc(-c2cccnc2)cc1)c1cccnc1Cl ZINC000743051271 722563514 /nfs/dbraw/zinc/56/35/14/722563514.db2.gz QBXXGFZEIVSWKU-UHFFFAOYSA-N -1 3 359.838 3.276 20 0 FGADHM O=S(=O)([N-]CCc1cc(F)ccc1F)c1cnc(Cl)c(Cl)c1 ZINC000747290463 722642459 /nfs/dbraw/zinc/64/24/59/722642459.db2.gz HKFOVZWMFBFLTQ-UHFFFAOYSA-N -1 3 367.204 3.188 20 0 FGADHM COC(=O)/C=C\c1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2F)cc1 ZINC000747596200 722651838 /nfs/dbraw/zinc/65/18/38/722651838.db2.gz KIPCTHYMMKNMGD-WTKPLQERSA-N -1 3 369.801 3.466 20 0 FGADHM CS(=O)(=O)[N-]c1ccc(C(=O)OCCc2c(F)cccc2Cl)cc1 ZINC000747677877 722656078 /nfs/dbraw/zinc/65/60/78/722656078.db2.gz JRLFLZXYHOREHY-UHFFFAOYSA-N -1 3 371.817 3.250 20 0 FGADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)OC)cc2)c(C)c1 ZINC000749154597 722718245 /nfs/dbraw/zinc/71/82/45/722718245.db2.gz NUXBQUWAJNSZTC-UHFFFAOYSA-N -1 3 364.423 3.373 20 0 FGADHM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(-n3cncn3)c(Cl)c2)c1 ZINC000749162117 722718360 /nfs/dbraw/zinc/71/83/60/722718360.db2.gz HOMJMMUMDBVYQU-UHFFFAOYSA-N -1 3 362.842 3.338 20 0 FGADHM CCCc1ccc(NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000749838926 722744392 /nfs/dbraw/zinc/74/43/92/722744392.db2.gz XXXJGZNNKOPLPE-UHFFFAOYSA-N -1 3 372.899 3.271 20 0 FGADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]C[C@@](C)(O)c1ccsc1 ZINC000751437432 722806282 /nfs/dbraw/zinc/80/62/82/722806282.db2.gz GOQJRMXAFBZELW-MRXNPFEDSA-N -1 3 369.439 3.128 20 0 FGADHM C[C@](O)(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1ccsc1 ZINC000751439970 722806534 /nfs/dbraw/zinc/80/65/34/722806534.db2.gz WAGDKSRSQZZDPH-ZDUSSCGKSA-N -1 3 366.291 3.241 20 0 FGADHM C[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)OCCC(C)(C)C)c1Cl ZINC000751687976 722820571 /nfs/dbraw/zinc/82/05/71/722820571.db2.gz XOPWKJRQTFOTGE-UHFFFAOYSA-N -1 3 368.282 3.495 20 0 FGADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)C[C@H]3CSCCS3)c2)n1 ZINC000752503671 722859915 /nfs/dbraw/zinc/85/99/15/722859915.db2.gz JFDOFZDYVJHAEX-AWEZNQCLSA-N -1 3 362.476 3.302 20 0 FGADHM O=C(NC[C@@H]1CCC[C@H](C(F)(F)F)C1)c1nnc2ccccc2c1[O-] ZINC000752519533 722860470 /nfs/dbraw/zinc/86/04/70/722860470.db2.gz WLEIRRGHENYKLZ-MNOVXSKESA-N -1 3 353.344 3.434 20 0 FGADHM O=S(=O)([N-][C@H](C[C@H]1CCOC1)c1ccccc1)c1cccnc1Cl ZINC000753848588 722915720 /nfs/dbraw/zinc/91/57/20/722915720.db2.gz IBDOCEKFQNLRIB-UKRRQHHQSA-N -1 3 366.870 3.181 20 0 FGADHM COc1cccc(Nc2nnc(SCc3nc(C)cc(=O)[n-]3)s2)c1 ZINC000754456796 722939065 /nfs/dbraw/zinc/93/90/65/722939065.db2.gz FJWONUGFMBCYNO-UHFFFAOYSA-N -1 3 361.452 3.387 20 0 FGADHM O=C([N-][C@H]1CCOc2c(Cl)c(Cl)ccc21)C(F)(F)C1(O)CCC1 ZINC000754480868 722939788 /nfs/dbraw/zinc/93/97/88/722939788.db2.gz NBKIRAOXXCXCHK-JTQLQIEISA-N -1 3 366.191 3.484 20 0 FGADHM O=S(=O)([N-]C[C@@H]1CCC=CO1)c1cccc(Cl)c1Br ZINC000755136563 722950554 /nfs/dbraw/zinc/95/05/54/722950554.db2.gz RSXBNBOYJZGYAO-VIFPVBQESA-N -1 3 366.664 3.074 20 0 FGADHM NC(=O)CO[N-]C(=O)Nc1cccc(Sc2ccc(Cl)cc2)c1 ZINC000756844644 722970629 /nfs/dbraw/zinc/97/06/29/722970629.db2.gz KHIGSYPLLBLOIA-UHFFFAOYSA-N -1 3 351.815 3.030 20 0 FGADHM CCCC[C@H]([N-]S(=O)(=O)c1ccc(Cl)nc1C(=O)OC)C1CCC1 ZINC000757362684 722976192 /nfs/dbraw/zinc/97/61/92/722976192.db2.gz BGKBBDQQESWJLD-LBPRGKRZSA-N -1 3 374.890 3.159 20 0 FGADHM C/C(=C\c1ccc(Cl)cc1)C(=O)OCC(=O)[N-]C(=O)c1cccs1 ZINC000758870596 722996111 /nfs/dbraw/zinc/99/61/11/722996111.db2.gz AHVOAELQKWCGRK-PKNBQFBNSA-N -1 3 363.822 3.305 20 0 FGADHM COC(=O)C[C@@H]([N-]C(=O)C(F)(F)c1ccccc1F)c1cccs1 ZINC000759212907 723001578 /nfs/dbraw/zinc/00/15/78/723001578.db2.gz FQQSBNOOCOIGGY-GFCCVEGCSA-N -1 3 357.353 3.400 20 0 FGADHM CC(C)(C)OC(=O)N[C@H]1CCCCCC[C@H]1C(=O)[N-]OCC(F)F ZINC000759349564 723003341 /nfs/dbraw/zinc/00/33/41/723003341.db2.gz NIRHYNWKMKBRHR-NEPJUHHUSA-N -1 3 350.406 3.163 20 0 FGADHM CC1(C)CCC([N-]C(=O)C(F)(F)c2cccc(Cl)c2)(C(N)=O)CC1 ZINC000760079100 723037402 /nfs/dbraw/zinc/03/74/02/723037402.db2.gz JQBQCUDFDLOPSG-UHFFFAOYSA-N -1 3 358.816 3.372 20 0 FGADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]CC(=O)OC1CCCCC1 ZINC000760595185 723070131 /nfs/dbraw/zinc/07/01/31/723070131.db2.gz JLYDFNNOGUBNSI-UHFFFAOYSA-N -1 3 369.414 3.035 20 0 FGADHM CCC[C@H](C)c1noc(-c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)n1 ZINC000761845216 723190047 /nfs/dbraw/zinc/19/00/47/723190047.db2.gz PITKGLMFYBVMBZ-JTQLQIEISA-N -1 3 353.419 3.220 20 0 FGADHM CCSCc1ccnc(NC(=O)c2c(C)[n-]c(=O)nc2SC)c1 ZINC000762410722 723239744 /nfs/dbraw/zinc/23/97/44/723239744.db2.gz WWRSNURHUFVAAJ-UHFFFAOYSA-N -1 3 350.469 3.113 20 0 FGADHM O=S(=O)([N-][C@@H]1CC[C@@H]2SCCS[C@H]12)c1cc(F)ccc1Cl ZINC000762526126 723251375 /nfs/dbraw/zinc/25/13/75/723251375.db2.gz QXYMEVYEYMVFIQ-NTZNESFSSA-N -1 3 367.920 3.137 20 0 FGADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1ccc2c(c1)N(CC(F)F)CCS2 ZINC000794373474 723516030 /nfs/dbraw/zinc/51/60/30/723516030.db2.gz YRSZRVNEQYMNMA-OAHLLOKOSA-N -1 3 373.425 3.444 20 0 FGADHM O=C([N-]O[C@@H]1CCCCO1)Nc1ccc2c(c1)N(CC(F)F)CCS2 ZINC000794373474 723516034 /nfs/dbraw/zinc/51/60/34/723516034.db2.gz YRSZRVNEQYMNMA-OAHLLOKOSA-N -1 3 373.425 3.444 20 0 FGADHM C[C@@H](O)CCCOC(=O)c1n[n-]c(-c2ccccc2)c1Br ZINC000795559971 723598652 /nfs/dbraw/zinc/59/86/52/723598652.db2.gz TXCQMESMFJXEIO-SNVBAGLBSA-N -1 3 353.216 3.157 20 0 FGADHM CC(C)=CCOC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000796810712 723655707 /nfs/dbraw/zinc/65/57/07/723655707.db2.gz SSFLZOQUFIONJS-UHFFFAOYSA-N -1 3 351.346 3.200 20 0 FGADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)C1(F)CCCC1 ZINC000772858162 723770024 /nfs/dbraw/zinc/77/00/24/723770024.db2.gz BUYMOVBMXLNPLC-UHFFFAOYSA-N -1 3 368.352 3.298 20 0 FGADHM CCc1nn(C)cc1[N-]S(=O)(=O)/C=C/c1ccc(Br)cc1 ZINC000773255458 723780244 /nfs/dbraw/zinc/78/02/44/723780244.db2.gz KVKAGXQCGOEISA-CMDGGOBGSA-N -1 3 370.272 3.158 20 0 FGADHM CCc1nn(C)cc1[N-]S(=O)(=O)/C=C\c1cccc(Br)c1 ZINC000773257631 723780492 /nfs/dbraw/zinc/78/04/92/723780492.db2.gz ZONUGNKORGPRQV-FPLPWBNLSA-N -1 3 370.272 3.158 20 0 FGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(SC)c2C)ccc1F ZINC000774850296 723935634 /nfs/dbraw/zinc/93/56/34/723935634.db2.gz OOIPOBUDUNDQNL-UHFFFAOYSA-N -1 3 368.455 3.016 20 0 FGADHM COc1ccc([N-]S(=O)(=O)C2=Cc3ccccc3OCC2)c(OC)c1 ZINC000775251548 723973788 /nfs/dbraw/zinc/97/37/88/723973788.db2.gz WRIQDBNFXWTWCN-UHFFFAOYSA-N -1 3 361.419 3.269 20 0 FGADHM O=C([N-]OC1CCCC1)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000775599472 724008121 /nfs/dbraw/zinc/00/81/21/724008121.db2.gz XXOUVVKYEXFSSL-KRWDZBQOSA-N -1 3 356.388 3.431 20 0 FGADHM O=C(N[C@@H]1CCN(c2ccccc2Cl)C1=O)c1cccc(Cl)c1[O-] ZINC000775732378 724033252 /nfs/dbraw/zinc/03/32/52/724033252.db2.gz NHUFGAKXKJOEIH-CYBMUJFWSA-N -1 3 365.216 3.234 20 0 FGADHM O=C(COC(=O)c1cccc(Cl)c1[O-])N1CCC[C@H](C(F)(F)F)C1 ZINC000775931381 724084946 /nfs/dbraw/zinc/08/49/46/724084946.db2.gz WEBSGVUBUJXWGQ-VIFPVBQESA-N -1 3 365.735 3.003 20 0 FGADHM COCCn1c(C)cc(C(=O)COC(=O)c2cccc(Cl)c2[O-])c1C ZINC000775935893 724086135 /nfs/dbraw/zinc/08/61/35/724086135.db2.gz PZGMIZAKYDBFCO-UHFFFAOYSA-N -1 3 365.813 3.150 20 0 FGADHM O=C(COC(=O)c1cccc(Cl)c1[O-])NCc1ccc(Cl)cc1 ZINC000775936428 724086918 /nfs/dbraw/zinc/08/69/18/724086918.db2.gz ZLNTYFULMNNYLC-UHFFFAOYSA-N -1 3 354.189 3.172 20 0 FGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N1CCC[C@@H]1CC1CCCCC1 ZINC000776256008 724124474 /nfs/dbraw/zinc/12/44/74/724124474.db2.gz IZSRAWZFIWZGBT-GFCCVEGCSA-N -1 3 359.396 3.468 20 0 FGADHM COc1cc(C(=O)OCC(=O)Cc2ccccc2Cl)cc(OC)c1[O-] ZINC000800188592 724163308 /nfs/dbraw/zinc/16/33/08/724163308.db2.gz KTQBYTHLAAHTKZ-UHFFFAOYSA-N -1 3 364.781 3.031 20 0 FGADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N(C)Cc1cc(F)c(F)c(F)c1 ZINC000777501864 724232948 /nfs/dbraw/zinc/23/29/48/724232948.db2.gz GHJBVGQFUWGSKE-UHFFFAOYSA-N -1 3 353.344 3.304 20 0 FGADHM O=C(OCc1ncnn1-c1ccccc1)c1cccc(Br)c1[O-] ZINC000801258766 724284211 /nfs/dbraw/zinc/28/42/11/724284211.db2.gz JRVXYLDIAJGCBE-UHFFFAOYSA-N -1 3 374.194 3.092 20 0 FGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(C3CCC3)cc2)ccc1F ZINC000785456610 724913815 /nfs/dbraw/zinc/91/38/15/724913815.db2.gz XGRAYHSWKOVJRP-UHFFFAOYSA-N -1 3 362.426 3.254 20 0 FGADHM COc1ccc(NCc2ccc3cnccc3c2)cc1[N-]S(C)(=O)=O ZINC000785484095 724915868 /nfs/dbraw/zinc/91/58/68/724915868.db2.gz FUZIHFMJZKGKRW-UHFFFAOYSA-N -1 3 357.435 3.227 20 0 FGADHM Cc1ccc(OC[C@@H](C)[N-]S(=O)(=O)c2cnccc2C(F)(F)F)cc1 ZINC000785486106 724916188 /nfs/dbraw/zinc/91/61/88/724916188.db2.gz DPGDUWTYSDPFHP-GFCCVEGCSA-N -1 3 374.384 3.155 20 0 FGADHM CC(=O)Nc1cc(S(=O)(=O)[N-]c2cc(C)cnc2Cl)ccc1C ZINC000786880184 725004870 /nfs/dbraw/zinc/00/48/70/725004870.db2.gz MPIBIXBACQEZSN-UHFFFAOYSA-N -1 3 353.831 3.111 20 0 FGADHM CCOC(=O)c1cc(S(=O)(=O)[N-]c2cc(C)cnc2Cl)ccc1F ZINC000786880823 725005162 /nfs/dbraw/zinc/00/51/62/725005162.db2.gz PMQUEGWQOQIMOY-UHFFFAOYSA-N -1 3 372.805 3.160 20 0 FGADHM O=C(CCCc1ccc([O-])c(F)c1)NC[C@H]1COC2(CCCCC2)O1 ZINC000787221599 725020978 /nfs/dbraw/zinc/02/09/78/725020978.db2.gz DLSBEAHPYQMCCP-HNNXBMFYSA-N -1 3 351.418 3.046 20 0 FGADHM O=S(=O)([N-]Cc1cc(-c2ccccc2)on1)c1cnc(Cl)c(F)c1 ZINC000787920319 725040625 /nfs/dbraw/zinc/04/06/25/725040625.db2.gz AFRYGGNBDUUJGS-UHFFFAOYSA-N -1 3 367.789 3.008 20 0 FGADHM Cc1csc([C@@H]([N-]S(=O)(=O)c2ccc(Cl)nc2C)C2CC2)n1 ZINC000805015674 725044059 /nfs/dbraw/zinc/04/40/59/725044059.db2.gz PUKFPHOIILTTMQ-ZDUSSCGKSA-N -1 3 357.888 3.238 20 0 FGADHM COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2CCC2(C)C)c(Cl)cc1Cl ZINC000805109533 725050228 /nfs/dbraw/zinc/05/02/28/725050228.db2.gz GGMKKLYUWYHMBX-GFCCVEGCSA-N -1 3 366.266 3.247 20 0 FGADHM CC(C)N1C(=S)N=NC1CCNC(=O)c1cc2sccc2c([O-])c1 ZINC000788299707 725056309 /nfs/dbraw/zinc/05/63/09/725056309.db2.gz GEIWFBMHQIHKSB-UHFFFAOYSA-N -1 3 362.480 3.041 20 0 FGADHM O=C(CCCc1ccc([O-])c(F)c1)OCCCC(=O)N1CCCCC1 ZINC000805535167 725078689 /nfs/dbraw/zinc/07/86/89/725078689.db2.gz MNWNQHCPPFGEIE-UHFFFAOYSA-N -1 3 351.418 3.190 20 0 FGADHM NC(=O)CO[N-]C(=O)Nc1ccc(Cl)cc1-c1ccccc1Cl ZINC000788696099 725081868 /nfs/dbraw/zinc/08/18/68/725081868.db2.gz NPGBWGFPFSDBTM-UHFFFAOYSA-N -1 3 354.193 3.199 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]C[C@@H](O)c2c(F)cccc2F)sc1Cl ZINC000788899199 725094561 /nfs/dbraw/zinc/09/45/61/725094561.db2.gz LRMOYGAZGVPMDG-SNVBAGLBSA-N -1 3 367.826 3.000 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]CC[C@@](C)(O)c2ccccc2)sc1Cl ZINC000788911288 725095540 /nfs/dbraw/zinc/09/55/40/725095540.db2.gz LOYSJUILBHSBBD-OAHLLOKOSA-N -1 3 359.900 3.286 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)[C@@H](O)c1ccccc1 ZINC000808339745 725195292 /nfs/dbraw/zinc/19/52/92/725195292.db2.gz VUBKBRNPNJSPQW-QMTHXVAHSA-N -1 3 360.262 3.394 20 0 FGADHM Cc1sc2[n-]c([C@H](C)OC(=O)Cn3cc(Cl)cn3)nc(=O)c2c1C ZINC000808553798 725206811 /nfs/dbraw/zinc/20/68/11/725206811.db2.gz SEOREFGDUORJFZ-QMMMGPOBSA-N -1 3 366.830 3.168 20 0 FGADHM COc1cccc2c(C(=O)OCc3ccc(C(F)(F)F)cn3)n[n-]c21 ZINC000808674244 725212849 /nfs/dbraw/zinc/21/28/49/725212849.db2.gz PGHPUTVIZAPRJV-UHFFFAOYSA-N -1 3 351.284 3.342 20 0 FGADHM COc1cccc2c1n[n-]c2C(=O)OCc1ccc(C(F)(F)F)cn1 ZINC000808674244 725212851 /nfs/dbraw/zinc/21/28/51/725212851.db2.gz PGHPUTVIZAPRJV-UHFFFAOYSA-N -1 3 351.284 3.342 20 0 FGADHM CSc1nsc([N-]C(=O)c2cc(Cl)ncc2Br)n1 ZINC000810021491 725282860 /nfs/dbraw/zinc/28/28/60/725282860.db2.gz HNPBWXFOSPXEIE-UHFFFAOYSA-N -1 3 365.665 3.323 20 0 FGADHM COCC1(C[N-]S(=O)(=O)c2ccc(Cl)nc2Cl)CCCCC1 ZINC000810111446 725289515 /nfs/dbraw/zinc/28/95/15/725289515.db2.gz MCXORKYIFSLQDK-UHFFFAOYSA-N -1 3 367.298 3.264 20 0 FGADHM O=C(CNC(=O)c1cc([O-])ccc1Cl)OCc1ccc(Cl)cc1 ZINC000811030591 725340756 /nfs/dbraw/zinc/34/07/56/725340756.db2.gz OEFNPWJRLRTQPW-UHFFFAOYSA-N -1 3 354.189 3.172 20 0 FGADHM Cc1ccc(NC(=S)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)cc1 ZINC000811712476 725377804 /nfs/dbraw/zinc/37/78/04/725377804.db2.gz UWGFULYKMVOLAY-GFCCVEGCSA-N -1 3 359.417 3.082 20 0 FGADHM O=S(=O)(C=Cc1ccccc1Cl)[N-]c1nc(C(F)(F)F)c[nH]1 ZINC000811832193 725382118 /nfs/dbraw/zinc/38/21/18/725382118.db2.gz MMHVGPMIGCILNM-AATRIKPKSA-N -1 3 351.737 3.495 20 0 FGADHM CC(C)CCC[C@H](C)NC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000811854978 725383037 /nfs/dbraw/zinc/38/30/37/725383037.db2.gz UAVPDGFACYXHCG-KBPBESRZSA-N -1 3 365.440 3.301 20 0 FGADHM CC[C@@H]1CCCC[C@H]1NC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000811864507 725383345 /nfs/dbraw/zinc/38/33/45/725383345.db2.gz BWCMBSQOFFWRND-BFHYXJOUSA-N -1 3 363.424 3.055 20 0 FGADHM C[C@H](NC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1)C1CCCCC1 ZINC000811884931 725383937 /nfs/dbraw/zinc/38/39/37/725383937.db2.gz RFJINTMKPLQRNG-QWHCGFSZSA-N -1 3 363.424 3.055 20 0 FGADHM O=C([N-]C[C@@H]1CCCN(C(=O)[C@@H]2CCCc3sccc32)C1)C(F)(F)F ZINC000812274564 725392201 /nfs/dbraw/zinc/39/22/01/725392201.db2.gz GSWHVXBOMHZCNG-WCQYABFASA-N -1 3 374.428 3.085 20 0 FGADHM C[C@H](CC(=O)[N-]OC/C=C/Cl)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000812398031 725395625 /nfs/dbraw/zinc/39/56/25/725395625.db2.gz MAKUTYURFFQESC-RNUUNTDPSA-N -1 3 360.882 3.460 20 0 FGADHM O=C(Cc1ccc(OCCOc2ccccc2)cc1)[N-]OC/C=C\Cl ZINC000812401956 725395848 /nfs/dbraw/zinc/39/58/48/725395848.db2.gz PDMGMWUHBBWSGN-WCIBSUBMSA-N -1 3 361.825 3.487 20 0 FGADHM Cc1sc2[n-]c([C@H](C)OC(=O)[C@@](C)(O)C3CCC3)nc(=O)c2c1C ZINC000812675327 726802799 /nfs/dbraw/zinc/80/27/99/726802799.db2.gz LPXQKJDDNJOJKF-XYZCENFISA-N -1 3 350.440 3.169 20 0 FGADHM CCO/C=C\C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000816833712 727199318 /nfs/dbraw/zinc/19/93/18/727199318.db2.gz RJTCHFSKSJMLBG-SEYXRHQNSA-N -1 3 360.435 3.285 20 0 FGADHM O=S(=O)([N-]C[C@H]1CC12CCSCC2)c1ccc(Cl)nc1Cl ZINC000817141568 727224149 /nfs/dbraw/zinc/22/41/49/727224149.db2.gz MLNXQAUNKYLQCD-SECBINFHSA-N -1 3 367.323 3.200 20 0 FGADHM O=C([N-]OCCC1CC1)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000817379033 727245805 /nfs/dbraw/zinc/24/58/05/727245805.db2.gz GAGQASVJTFVODU-HNNXBMFYSA-N -1 3 350.846 3.040 20 0 FGADHM COc1ccc(N[C@H](C)c2ccncc2Cl)cc1[N-]S(C)(=O)=O ZINC000817582037 727267924 /nfs/dbraw/zinc/26/79/24/727267924.db2.gz WMYRGWMOBJGGBW-SNVBAGLBSA-N -1 3 355.847 3.288 20 0 FGADHM C[C@H](NC(=O)/C=C\SCc1ccco1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820321007 728984890 /nfs/dbraw/zinc/98/48/90/728984890.db2.gz ATIULPHMWYOJIJ-CUZBXDDWSA-N -1 3 355.423 3.084 20 0 FGADHM C[C@H](NC(=O)/C=C\SCc1ccco1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820321007 728984892 /nfs/dbraw/zinc/98/48/92/728984892.db2.gz ATIULPHMWYOJIJ-CUZBXDDWSA-N -1 3 355.423 3.084 20 0 FGADHM C[C@H](c1ccc(-c2nn[n-]n2)cc1)N(C)Cc1nc2c(s1)CCCC2 ZINC000820556594 729003876 /nfs/dbraw/zinc/00/38/76/729003876.db2.gz UOMYCWQGEXLYEI-GFCCVEGCSA-N -1 3 354.483 3.395 20 0 FGADHM CO[C@]12CCC[C@@]1(C(=O)Nc1cc(Br)ccc1[O-])CCO2 ZINC000821344000 729079251 /nfs/dbraw/zinc/07/92/51/729079251.db2.gz CPAGMDOCLXWSFG-GJZGRUSLSA-N -1 3 356.216 3.027 20 0 FGADHM CC(C)([N-]C(=O)C(F)(F)c1cccc(Br)c1)c1ncc[nH]1 ZINC000821757765 729113661 /nfs/dbraw/zinc/11/36/61/729113661.db2.gz GPWUSBJLTUZFJD-UHFFFAOYSA-N -1 3 358.186 3.316 20 0 FGADHM CSc1ccc([O-])c(C(=O)N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000823094050 729251206 /nfs/dbraw/zinc/25/12/06/729251206.db2.gz LAFAOYJSCAWDMT-GFCCVEGCSA-N -1 3 366.483 3.243 20 0 FGADHM C[C@H]1CCN(CC[C@H]2CC2(Cl)Cl)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000823127987 729255170 /nfs/dbraw/zinc/25/51/70/729255170.db2.gz BLJJJQWSPFEAOQ-NAKRPEOUSA-N -1 3 361.235 3.348 20 0 FGADHM CC(C)(C)[C@@H](NCCCOc1cccc(-c2nnn[n-]2)c1)C(F)(F)F ZINC000824072736 729318215 /nfs/dbraw/zinc/31/82/15/729318215.db2.gz YWUOAUFIJXKOME-CQSZACIVSA-N -1 3 357.380 3.202 20 0 FGADHM CC(C)(C)[C@@H](NCCCOc1cccc(-c2nn[n-]n2)c1)C(F)(F)F ZINC000824072736 729318217 /nfs/dbraw/zinc/31/82/17/729318217.db2.gz YWUOAUFIJXKOME-CQSZACIVSA-N -1 3 357.380 3.202 20 0 FGADHM C[C@@H](OC(=O)c1cc(Cl)cc(Cl)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824724052 729356685 /nfs/dbraw/zinc/35/66/85/729356685.db2.gz XTFHZDRZAZAQRJ-MRVPVSSYSA-N -1 3 364.192 3.487 20 0 FGADHM C[C@@H](OC(=O)c1cc(Cl)cc(Cl)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824724052 729356686 /nfs/dbraw/zinc/35/66/86/729356686.db2.gz XTFHZDRZAZAQRJ-MRVPVSSYSA-N -1 3 364.192 3.487 20 0 FGADHM CC1(C(=O)OCc2ccc(-c3nnn[n-]3)cc2Br)CCCC1 ZINC000824784010 729358781 /nfs/dbraw/zinc/35/87/81/729358781.db2.gz MKFWOBUQWRUDOE-UHFFFAOYSA-N -1 3 365.231 3.253 20 0 FGADHM CC1(C(=O)OCc2ccc(-c3nn[n-]n3)cc2Br)CCCC1 ZINC000824784010 729358782 /nfs/dbraw/zinc/35/87/82/729358782.db2.gz MKFWOBUQWRUDOE-UHFFFAOYSA-N -1 3 365.231 3.253 20 0 FGADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)C=Cc1csc(C(F)(F)F)c1)C2 ZINC000825040988 729368719 /nfs/dbraw/zinc/36/87/19/729368719.db2.gz SZNQMTRRQQFHCG-NSCUHMNNSA-N -1 3 355.341 3.127 20 0 FGADHM Cc1c(Cl)cnc(N2CC[C@H](c3ccc(F)cc3)C2)c1-c1nnn[n-]1 ZINC000826238073 729406437 /nfs/dbraw/zinc/40/64/37/729406437.db2.gz VTGGXDPVIXNIAG-LBPRGKRZSA-N -1 3 358.808 3.357 20 0 FGADHM Cc1c(Cl)cnc(N2CC[C@H](c3ccc(F)cc3)C2)c1-c1nn[n-]n1 ZINC000826238073 729406438 /nfs/dbraw/zinc/40/64/38/729406438.db2.gz VTGGXDPVIXNIAG-LBPRGKRZSA-N -1 3 358.808 3.357 20 0 FGADHM Cc1c(Cl)cnc(NCCCCC(=O)OC(C)(C)C)c1-c1nnn[n-]1 ZINC000826239281 729406632 /nfs/dbraw/zinc/40/66/32/729406632.db2.gz BQRCXBRMVHYZNP-UHFFFAOYSA-N -1 3 366.853 3.147 20 0 FGADHM Cc1c(Cl)cnc(NCCCCC(=O)OC(C)(C)C)c1-c1nn[n-]n1 ZINC000826239281 729406634 /nfs/dbraw/zinc/40/66/34/729406634.db2.gz BQRCXBRMVHYZNP-UHFFFAOYSA-N -1 3 366.853 3.147 20 0 FGADHM Cc1cccc(NCC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1F ZINC000826299419 729407063 /nfs/dbraw/zinc/40/70/63/729407063.db2.gz DMJVREPTAIQVRD-UHFFFAOYSA-N -1 3 360.780 3.018 20 0 FGADHM Cc1cccc(NCC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1F ZINC000826299419 729407064 /nfs/dbraw/zinc/40/70/64/729407064.db2.gz DMJVREPTAIQVRD-UHFFFAOYSA-N -1 3 360.780 3.018 20 0 FGADHM Cc1ccnc(N2CCc3c(ccc(Cl)c3Cl)C2)c1-c1nnn[n-]1 ZINC000826311787 729407204 /nfs/dbraw/zinc/40/72/04/729407204.db2.gz NNDBWBDPVNYBPL-UHFFFAOYSA-N -1 3 361.236 3.440 20 0 FGADHM Cc1ccnc(N2CCc3c(ccc(Cl)c3Cl)C2)c1-c1nn[n-]n1 ZINC000826311787 729407205 /nfs/dbraw/zinc/40/72/05/729407205.db2.gz NNDBWBDPVNYBPL-UHFFFAOYSA-N -1 3 361.236 3.440 20 0 FGADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1)[C@@H]1CCc2c1cccc2Cl ZINC000826464885 729408214 /nfs/dbraw/zinc/40/82/14/729408214.db2.gz QKCUARPAJZZZII-OAHLLOKOSA-N -1 3 354.797 3.293 20 0 FGADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCc2c1cccc2Cl ZINC000826464885 729408215 /nfs/dbraw/zinc/40/82/15/729408215.db2.gz QKCUARPAJZZZII-OAHLLOKOSA-N -1 3 354.797 3.293 20 0 FGADHM Oc1cccc2c1CC[C@@H]2Nc1ccc(Br)cc1-c1nnn[n-]1 ZINC000826511554 729408313 /nfs/dbraw/zinc/40/83/13/729408313.db2.gz UZNGHOZYCXGJCC-ZDUSSCGKSA-N -1 3 372.226 3.434 20 0 FGADHM Oc1cccc2c1CC[C@@H]2Nc1ccc(Br)cc1-c1nn[n-]n1 ZINC000826511554 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ZINC000058472667 493857547 /nfs/dbraw/zinc/85/75/47/493857547.db2.gz FQCUTMOWUNETDR-UHFFFAOYSA-N -1 3 350.421 3.345 20 0 FGADHM CSc1ccc([C@@H](C[N-]S(=O)(=O)c2cccs2)N(C)C)cc1 ZINC000568403679 505685950 /nfs/dbraw/zinc/68/59/50/505685950.db2.gz KNJNWQVMWLOPBY-CQSZACIVSA-N -1 3 356.538 3.051 20 0 FGADHM O=C(Cn1ccc(=O)c2ccccc21)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000081461407 493897506 /nfs/dbraw/zinc/89/75/06/493897506.db2.gz FXIIOCWFQXWMNB-UHFFFAOYSA-N -1 3 362.307 3.365 20 0 FGADHM CC(C)[C@H]1CC[C@@H](C)C[C@H]1NC(=O)CCn1[n-]c(=O)c2ccccc2c1=O ZINC000059252067 493902670 /nfs/dbraw/zinc/90/26/70/493902670.db2.gz PPQJOCMPIYVEEK-IIDMSEBBSA-N -1 3 371.481 3.069 20 0 FGADHM CCc1ccc(C(C)(C)NC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)cc1 ZINC000081524211 493910480 /nfs/dbraw/zinc/91/04/80/493910480.db2.gz KVPWNAQIAFQRHO-UHFFFAOYSA-N -1 3 351.406 3.189 20 0 FGADHM CCOC(=O)c1c(CC(C)C)csc1[N-]C(=O)C(=O)N(C)C1CCC1 ZINC000076557446 493922359 /nfs/dbraw/zinc/92/23/59/493922359.db2.gz XMWUFAQGBLQYMD-UHFFFAOYSA-N -1 3 366.483 3.073 20 0 FGADHM Cn1cnc(S(=O)(=O)[N-][C@@H](c2cccs2)c2ccc(Cl)cc2)c1 ZINC000069112846 493923660 /nfs/dbraw/zinc/92/36/60/493923660.db2.gz KEVXSYBEHJGSDS-OAHLLOKOSA-N -1 3 367.883 3.203 20 0 FGADHM CCCC[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc(CNC(C)=O)s1 ZINC000069131395 493926646 /nfs/dbraw/zinc/92/66/46/493926646.db2.gz QKIIWHRCLGMZJC-UKRRQHHQSA-N -1 3 358.529 3.021 20 0 FGADHM Cc1nc(C)c(CC(=O)Nc2ccc(OCC(C)C)c(Cl)c2)c(=O)[n-]1 ZINC000031367699 493940749 /nfs/dbraw/zinc/94/07/49/493940749.db2.gz OKBRJBFUNZYGDM-UHFFFAOYSA-N -1 3 363.845 3.256 20 0 FGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CC[C@@H](c2ccccc2F)C1 ZINC000081688344 493942447 /nfs/dbraw/zinc/94/24/47/493942447.db2.gz NLNCZEFYLJBJGR-CYBMUJFWSA-N -1 3 357.429 3.145 20 0 FGADHM COc1cccc(C(=O)Nc2nnc(-c3c(F)cccc3F)[n-]2)c1OC ZINC000081731078 493948239 /nfs/dbraw/zinc/94/82/39/493948239.db2.gz BWJPLNWRRDQTSN-UHFFFAOYSA-N -1 3 360.320 3.019 20 0 FGADHM COc1cccc(C(=O)Nc2nc(-c3c(F)cccc3F)n[n-]2)c1OC ZINC000081731078 493948242 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Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc2c(cc1F)CCC(=O)N2 ZINC000032097715 493975432 /nfs/dbraw/zinc/97/54/32/493975432.db2.gz CRJKGZMJRKOLHS-UHFFFAOYSA-N -1 3 368.817 3.473 20 0 FGADHM COc1ccc(CCCC(=O)Nc2ccccc2[N-]S(C)(=O)=O)cc1 ZINC000061375280 493976401 /nfs/dbraw/zinc/97/64/01/493976401.db2.gz VMGLTBITKRVJDA-UHFFFAOYSA-N -1 3 362.451 3.028 20 0 FGADHM CCN(Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)c1)C(C)=O ZINC000032599178 493999008 /nfs/dbraw/zinc/99/90/08/493999008.db2.gz UZKITHQPFYOJIS-UHFFFAOYSA-N -1 3 360.479 3.473 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H](OC)c3ccccc3)c2)n1 ZINC000061968463 494000553 /nfs/dbraw/zinc/00/05/53/494000553.db2.gz QEMZIPKNJRKWIX-LJQANCHMSA-N -1 3 363.417 3.326 20 0 FGADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(OCC)c(OC)c2)cc1 ZINC000007109329 494001922 /nfs/dbraw/zinc/00/19/22/494001922.db2.gz IPHKJHYZSHTSRQ-UHFFFAOYSA-N -1 3 351.424 3.293 20 0 FGADHM COCCOc1ccc(Cl)cc1-c1nc(-c2ccc3n[n-]nc3c2)no1 ZINC000574104845 505694670 /nfs/dbraw/zinc/69/46/70/505694670.db2.gz YKXSZKIWJKCZOC-UHFFFAOYSA-N -1 3 371.784 3.354 20 0 FGADHM CC[C@@H]1CCC[C@@H](NC(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)C1 ZINC000077135784 494020538 /nfs/dbraw/zinc/02/05/38/494020538.db2.gz HLSRJCZFBZHVLE-NVXWUHKLSA-N -1 3 368.481 3.158 20 0 FGADHM O=S(=O)([N-]Cc1ccc(Br)cc1)c1ccc(F)cc1F ZINC000033617585 494061384 /nfs/dbraw/zinc/06/13/84/494061384.db2.gz JVBOGOFFATWZAO-UHFFFAOYSA-N -1 3 362.195 3.206 20 0 FGADHM O=S(=O)([N-]c1ccc2n[nH]nc2c1)c1ccc(-c2ccccc2)cc1 ZINC000033941301 494064883 /nfs/dbraw/zinc/06/48/83/494064883.db2.gz HUDXMDBAJRDZOE-UHFFFAOYSA-N -1 3 350.403 3.426 20 0 FGADHM O=S(=O)([N-]c1ccc2[nH]nnc2c1)c1ccc(-c2ccccc2)cc1 ZINC000033941301 494064887 /nfs/dbraw/zinc/06/48/87/494064887.db2.gz HUDXMDBAJRDZOE-UHFFFAOYSA-N -1 3 350.403 3.426 20 0 FGADHM O=C(NC1CCN(CC(F)(F)F)CC1)c1cc2c(cc1[O-])CCCC2 ZINC000063701222 494077482 /nfs/dbraw/zinc/07/74/82/494077482.db2.gz LJYACOKWGWDQGN-UHFFFAOYSA-N -1 3 356.388 3.028 20 0 FGADHM Cc1cc(CCCC(=O)NCc2ccc(-c3nnn[n-]3)cc2)c(C)s1 ZINC000084600472 494086300 /nfs/dbraw/zinc/08/63/00/494086300.db2.gz OBHRIRBGVAVGGV-UHFFFAOYSA-N -1 3 355.467 3.184 20 0 FGADHM Cc1cc(CCCC(=O)NCc2ccc(-c3nn[n-]n3)cc2)c(C)s1 ZINC000084600472 494086305 /nfs/dbraw/zinc/08/63/05/494086305.db2.gz OBHRIRBGVAVGGV-UHFFFAOYSA-N -1 3 355.467 3.184 20 0 FGADHM C[C@@H](C(=O)NCCNC(=O)c1ccc([O-])cc1)c1ccc2ccccc2c1 ZINC000084631185 494088767 /nfs/dbraw/zinc/08/87/67/494088767.db2.gz MZEGMWNRDMRVKO-OAHLLOKOSA-N -1 3 362.429 3.195 20 0 FGADHM Cc1ccc(/C=C/CC(=O)Nc2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)cc1 ZINC000084743558 494095512 /nfs/dbraw/zinc/09/55/12/494095512.db2.gz HEOXQNIZACNOTI-GUWAZMKPSA-N -1 3 363.417 3.092 20 0 FGADHM C[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(F)cc2Br)C1 ZINC000037575243 494107343 /nfs/dbraw/zinc/10/73/43/494107343.db2.gz JQNXZADNLBOLEM-MWLCHTKSSA-N -1 3 350.253 3.445 20 0 FGADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@@H](C)OCc3ccccc3)cc2)n1 ZINC000064341994 494115194 /nfs/dbraw/zinc/11/51/94/494115194.db2.gz HZALZKQGPJAVJS-OAHLLOKOSA-N -1 3 363.417 3.289 20 0 FGADHM O=C(N[C@@H](c1ccc(F)cc1)C(F)(F)F)c1cc(=O)[n-]c(C2CC2)n1 ZINC000571296280 505700699 /nfs/dbraw/zinc/70/06/99/505700699.db2.gz KJMNIENAYSYRKH-ZDUSSCGKSA-N -1 3 355.291 3.232 20 0 FGADHM CC(C)c1ccc(C(=O)NCc2ccc(N3CCO[C@@H](C)C3)nc2)c([O-])c1 ZINC000053360378 494121727 /nfs/dbraw/zinc/12/17/27/494121727.db2.gz ISHRCQFIVHWJOB-HNNXBMFYSA-N -1 3 369.465 3.066 20 0 FGADHM CN(Cc1c(F)cccc1Cl)C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000064458945 494124980 /nfs/dbraw/zinc/12/49/80/494124980.db2.gz UGGVERDGUCHYOU-UHFFFAOYSA-N -1 3 361.760 3.027 20 0 FGADHM CSc1ccc(S(=O)(=O)[N-]c2cc(NC(C)=O)ccc2F)cc1 ZINC000064475483 494126669 /nfs/dbraw/zinc/12/66/69/494126669.db2.gz WBXPQDRLIKOBMC-UHFFFAOYSA-N -1 3 354.428 3.307 20 0 FGADHM Cc1ccc([C@H](C[N-]S(=O)(=O)c2ccc(Cl)s2)N(C)C)cc1 ZINC000010090440 494142820 /nfs/dbraw/zinc/14/28/20/494142820.db2.gz NHMNYVJJBCIGRJ-ZDUSSCGKSA-N -1 3 358.916 3.291 20 0 FGADHM Cc1cc(Br)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000041231863 494153079 /nfs/dbraw/zinc/15/30/79/494153079.db2.gz DEVRIHILYLHHDC-UHFFFAOYSA-N -1 3 368.252 3.493 20 0 FGADHM O=S(=O)([N-][C@@H]1CCCOc2ccc(F)cc21)c1cc(F)cc(F)c1 ZINC000053694024 494158565 /nfs/dbraw/zinc/15/85/65/494158565.db2.gz OUJUARCWDNGGKU-OAHLLOKOSA-N -1 3 357.353 3.296 20 0 FGADHM O=S(=O)([N-][C@H]1CCCOc2ccc(F)cc21)c1ccc(F)c(F)c1 ZINC000053694652 494159952 /nfs/dbraw/zinc/15/99/52/494159952.db2.gz VVPSDVXCEMUHAF-HNNXBMFYSA-N -1 3 357.353 3.296 20 0 FGADHM CC(C)[C@]1(C(=O)[O-])CCN(Cc2nn(-c3ccc(F)cc3)c3c2CCC3)C1 ZINC000580205709 505703327 /nfs/dbraw/zinc/70/33/27/505703327.db2.gz DAUDLPUJDBBTLJ-NRFANRHFSA-N -1 3 371.456 3.433 20 0 FGADHM Cc1c2cc(F)ccc2sc1C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000065072374 494170030 /nfs/dbraw/zinc/17/00/30/494170030.db2.gz HREFVVGHZSOXSY-UHFFFAOYSA-N -1 3 372.421 3.214 20 0 FGADHM CCc1sc(NC(=O)Cc2c(C)nc(C)[n-]c2=O)nc1-c1ccccc1 ZINC000054030448 494186798 /nfs/dbraw/zinc/18/67/98/494186798.db2.gz ZUAWAOILMKTZKQ-UHFFFAOYSA-N -1 3 368.462 3.254 20 0 FGADHM C[C@H](CCOCc1ccccc1)NC(=O)c1c[n-]c2ccccc2c1=O ZINC000577318854 505705192 /nfs/dbraw/zinc/70/51/92/505705192.db2.gz ZCPLTFXHISTAJV-OAHLLOKOSA-N -1 3 350.418 3.253 20 0 FGADHM COC(=O)[C@@H](C)SCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000072688503 494233998 /nfs/dbraw/zinc/23/39/98/494233998.db2.gz FINULQNQCJGGMU-SNVBAGLBSA-N -1 3 360.460 3.446 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)c1ccccc1C(F)(F)F)C1CCOCC1 ZINC000072719422 494240641 /nfs/dbraw/zinc/24/06/41/494240641.db2.gz CECGJAFSSYJMOW-ZDUSSCGKSA-N -1 3 351.390 3.189 20 0 FGADHM CO[C@H](CC(C)C)CN1Cc2cccc(Br)c2C[C@H]1C(=O)[O-] ZINC000574164184 505709563 /nfs/dbraw/zinc/70/95/63/505709563.db2.gz DJCXVNNHSLQYDO-CJNGLKHVSA-N -1 3 370.287 3.322 20 0 FGADHM CCCNC(=O)c1ccc(NC(=O)c2ccc3n[n-]nc3c2)cc1Cl ZINC000065824272 494242921 /nfs/dbraw/zinc/24/29/21/494242921.db2.gz TXCRYQVKCZBVGC-UHFFFAOYSA-N -1 3 357.801 3.003 20 0 FGADHM CCOC(=O)CC1(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2F)CC1 ZINC000568486032 505707032 /nfs/dbraw/zinc/70/70/32/505707032.db2.gz UXTTYHGBNKVRNA-UHFFFAOYSA-N -1 3 370.229 3.360 20 0 FGADHM Cc1noc(Cl)c1CCC(=O)Nc1cccc(-c2nc(C)cc(=O)[n-]2)c1 ZINC000066046291 494272438 /nfs/dbraw/zinc/27/24/38/494272438.db2.gz WXFSLNQTIJBTKT-UHFFFAOYSA-N -1 3 372.812 3.266 20 0 FGADHM Cc1c(C(=O)[N-]c2nnc(CC(C)C)s2)nnn1-c1ccc(C)cc1 ZINC000054884870 494280878 /nfs/dbraw/zinc/28/08/78/494280878.db2.gz DIORQGSOYQGYOL-UHFFFAOYSA-N -1 3 356.455 3.186 20 0 FGADHM CCN(CC)C(=O)Cc1ccc(NC(=O)c2cccc(OC)c2[O-])cc1 ZINC000078444634 494297334 /nfs/dbraw/zinc/29/73/34/494297334.db2.gz SKEXSLZUXIXBCF-UHFFFAOYSA-N -1 3 356.422 3.064 20 0 FGADHM CCc1onc(C)c1[N-]C(=O)c1nnn(-c2ccc(F)c(Cl)c2)c1C ZINC000089399879 494300982 /nfs/dbraw/zinc/30/09/82/494300982.db2.gz VHDZPAXJWJLVEA-UHFFFAOYSA-N -1 3 363.780 3.479 20 0 FGADHM CC[C@@H](C)c1ccccc1OCC(=O)[N-]c1ncnn1-c1ccccc1 ZINC000571348720 505711943 /nfs/dbraw/zinc/71/19/43/505711943.db2.gz XXTJUYNAQJRQPM-OAHLLOKOSA-N -1 3 350.422 3.220 20 0 FGADHM C[C@@H](CCOc1ccccc1)C(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000073008619 494304888 /nfs/dbraw/zinc/30/48/88/494304888.db2.gz NIWCCHOKSVCNQO-AWEZNQCLSA-N -1 3 362.451 3.102 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)NCCCn2ccc3ccccc32)c1 ZINC000055141025 494306636 /nfs/dbraw/zinc/30/66/36/494306636.db2.gz XCUQJLBAZMYDSV-UHFFFAOYSA-N -1 3 351.406 3.125 20 0 FGADHM CCOc1ccc(CCC(=O)Nc2n[n-]c(-c3ccccc3OC)n2)cc1 ZINC000055248177 494318397 /nfs/dbraw/zinc/31/83/97/494318397.db2.gz BFSPJMQPBZMDAY-UHFFFAOYSA-N -1 3 366.421 3.450 20 0 FGADHM O=C(c1ccccc1[O-])N1CCN(c2ccnc3cc(F)ccc32)CC1 ZINC000089589286 494326612 /nfs/dbraw/zinc/32/66/12/494326612.db2.gz JLPIFSXPGKZPPA-UHFFFAOYSA-N -1 3 351.381 3.042 20 0 FGADHM Cc1cccc(C(=O)N2CCC[C@H](c3nnc4n3CCCCC4)C2)c1[O-] ZINC000078670878 494340410 /nfs/dbraw/zinc/34/04/10/494340410.db2.gz CKQKJSXKFXACKD-HNNXBMFYSA-N -1 3 354.454 3.038 20 0 FGADHM Cc1cccc(NC(=O)Cc2nc(=O)c3c4c(sc3[n-]2)CCCC4)c1 ZINC000055491497 494351959 /nfs/dbraw/zinc/35/19/59/494351959.db2.gz VCRZZGFWBSIZKX-UHFFFAOYSA-N -1 3 353.447 3.353 20 0 FGADHM CCCCn1c(=O)[n-]nc1S(=O)(=O)Cc1cc(Cl)ccc1Cl ZINC000078798680 494363757 /nfs/dbraw/zinc/36/37/57/494363757.db2.gz NOAZMVQAJSRXSW-UHFFFAOYSA-N -1 3 364.254 3.065 20 0 FGADHM COc1cc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)ccc1NC(C)=O ZINC000055616168 494373592 /nfs/dbraw/zinc/37/35/92/494373592.db2.gz UJSVONOCDQMQQF-UHFFFAOYSA-N -1 3 362.451 3.380 20 0 FGADHM O=S(=O)([N-]c1ccc(OC(F)F)c(F)c1)c1ccc2c(c1)CCO2 ZINC000055638119 494378582 /nfs/dbraw/zinc/37/85/82/494378582.db2.gz IDFJMRHDHVLHGQ-UHFFFAOYSA-N -1 3 359.325 3.163 20 0 FGADHM O=C(Nc1ccc2ccccc2n1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000044907276 494388484 /nfs/dbraw/zinc/38/84/84/494388484.db2.gz HPQYFAPUQHTWIR-QGZVFWFLSA-N -1 3 361.401 3.184 20 0 FGADHM O=S(=O)([N-]Cc1ccc(C(F)(F)F)cc1)c1ccc(F)c(F)c1 ZINC000016737351 494400475 /nfs/dbraw/zinc/40/04/75/494400475.db2.gz KYLVPCLKQQICHC-UHFFFAOYSA-N -1 3 351.296 3.462 20 0 FGADHM O=C(CCC[N-]S(=O)(=O)c1ccccc1F)Nc1ccc(Cl)cc1 ZINC000056124441 494458363 /nfs/dbraw/zinc/45/83/63/494458363.db2.gz OYBLHJHEUIXRNS-UHFFFAOYSA-N -1 3 370.833 3.176 20 0 FGADHM Cc1cc(OCC(=O)Nc2cccc(-c3nnn[n-]3)c2)cc(C)c1Cl ZINC000020497784 494474456 /nfs/dbraw/zinc/47/44/56/494474456.db2.gz SGABXJSZLHGPSN-UHFFFAOYSA-N -1 3 357.801 3.154 20 0 FGADHM Cc1cc(OCC(=O)Nc2cccc(-c3nn[n-]n3)c2)cc(C)c1Cl ZINC000020497784 494474462 /nfs/dbraw/zinc/47/44/62/494474462.db2.gz SGABXJSZLHGPSN-UHFFFAOYSA-N -1 3 357.801 3.154 20 0 FGADHM CCCCNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1C ZINC000021874585 494508557 /nfs/dbraw/zinc/50/85/57/494508557.db2.gz VOMHUYBERGXLQA-UHFFFAOYSA-N -1 3 364.442 3.465 20 0 FGADHM O=C(COc1ccc(Br)cc1Cl)Nc1ncccc1[O-] ZINC000022263708 494518562 /nfs/dbraw/zinc/51/85/62/494518562.db2.gz XMKMIJPDUFCMJL-UHFFFAOYSA-N -1 3 357.591 3.221 20 0 FGADHM Cc1n[nH]c(C)c1[C@@H]1CCCN1Cc1cc(=O)oc2c(C)c([O-])ccc12 ZINC000091081342 494526913 /nfs/dbraw/zinc/52/69/13/494526913.db2.gz BTCLBOWNUHYKCM-INIZCTEOSA-N -1 3 353.422 3.484 20 0 FGADHM CCc1ccc(CN(C(=O)CCc2c(C)nc(C)[n-]c2=O)C2CC2)cc1 ZINC000074480650 494545834 /nfs/dbraw/zinc/54/58/34/494545834.db2.gz DBCAMVDXWZNPON-UHFFFAOYSA-N -1 3 353.466 3.073 20 0 FGADHM COc1ccc(NC(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)cc1 ZINC000023233849 494556317 /nfs/dbraw/zinc/55/63/17/494556317.db2.gz DGVNPABFOWZTIE-UHFFFAOYSA-N -1 3 369.421 3.283 20 0 FGADHM Cc1noc2nc(C)cc(C(=O)[N-]c3nnc(-c4ccccn4)s3)c12 ZINC000046756580 494562633 /nfs/dbraw/zinc/56/26/33/494562633.db2.gz QQZRSJIIZWSQDE-UHFFFAOYSA-N -1 3 352.379 3.005 20 0 FGADHM O=c1cc(C[S@@](=O)Cc2ccc(Br)s2)nc(C2CC2)[n-]1 ZINC000571419452 505728964 /nfs/dbraw/zinc/72/89/64/505728964.db2.gz AVAMLTKOSWUXQP-HXUWFJFHSA-N -1 3 373.297 3.333 20 0 FGADHM CC[C@@H](C)CN(C)C(=O)Cc1csc(NC(=O)c2cccc([O-])c2)n1 ZINC000080095820 494591541 /nfs/dbraw/zinc/59/15/41/494591541.db2.gz FNSPUJIGEUBBQI-GFCCVEGCSA-N -1 3 361.467 3.148 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H]3CCCC[C@@H]3n3cccn3)nc2)n1 ZINC000074775959 494598268 /nfs/dbraw/zinc/59/82/68/494598268.db2.gz UIZPFVYXPXWESP-SJORKVTESA-N -1 3 364.453 3.187 20 0 FGADHM O=C(Nc1ccccc1[O-])C1CCN(c2nccc(C(F)(F)F)n2)CC1 ZINC000024055061 494601048 /nfs/dbraw/zinc/60/10/48/494601048.db2.gz FUDVPKAKTCNSDR-UHFFFAOYSA-N -1 3 366.343 3.056 20 0 FGADHM COc1ccc(C(=O)NCc2cc(Cl)c3c(c2)OCCCO3)c([O-])c1 ZINC000024079821 494604828 /nfs/dbraw/zinc/60/48/28/494604828.db2.gz KIRATAWHQYHNTO-UHFFFAOYSA-N -1 3 363.797 3.146 20 0 FGADHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-]C[C@@H]2CCC[C@H](C)C2)s1 ZINC000057011920 494617934 /nfs/dbraw/zinc/61/79/34/494617934.db2.gz PRRMEURUUMQTLD-OUCADQQQSA-N -1 3 358.529 3.050 20 0 FGADHM CC1(C)Cc2ccc(C(=O)N3CCC[C@@H]3[C@H]3CCCCC3=O)c([O-])c2O1 ZINC000092428099 494624438 /nfs/dbraw/zinc/62/44/38/494624438.db2.gz SQKFHFLRXGVZLQ-GDBMZVCRSA-N -1 3 357.450 3.470 20 0 FGADHM C[C@@H](c1ccncc1)N1CCC(NC(=O)c2ccc([O-])c(Cl)c2)CC1 ZINC000121183836 494635199 /nfs/dbraw/zinc/63/51/99/494635199.db2.gz KLKKCRXYPIAJID-ZDUSSCGKSA-N -1 3 359.857 3.396 20 0 FGADHM Cc1ccc(CN2CCCC2)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000131485471 494635276 /nfs/dbraw/zinc/63/52/76/494635276.db2.gz NCONQCYFYMDQMO-UHFFFAOYSA-N -1 3 372.490 3.327 20 0 FGADHM Cc1ccc(F)c(S(=O)(=O)[N-]C[C@@H]2CCN(c3ccc(F)cc3)C2)c1 ZINC000057101875 494642577 /nfs/dbraw/zinc/64/25/77/494642577.db2.gz GVBWRJRNTHSSMW-AWEZNQCLSA-N -1 3 366.433 3.078 20 0 FGADHM O=S(=O)([N-]c1cccc(O)c1F)c1ccc(F)cc1Br ZINC000131531370 494648452 /nfs/dbraw/zinc/64/84/52/494648452.db2.gz VSPGAFOVPRHVGT-UHFFFAOYSA-N -1 3 364.167 3.234 20 0 FGADHM COc1cccc([C@@H]2[C@@H](NC(=O)c3c([O-])cccc3F)CCN2C2CC2)c1 ZINC000131583734 494665693 /nfs/dbraw/zinc/66/56/93/494665693.db2.gz CBDZJQJPFZKBPL-FXAWDEMLSA-N -1 3 370.424 3.248 20 0 FGADHM O=C(C[C@H]1C(=O)Nc2ccccc21)Nc1ccc(Br)cc1[O-] ZINC000126206610 494672479 /nfs/dbraw/zinc/67/24/79/494672479.db2.gz MOHZBCJDSGWXKI-LLVKDONJSA-N -1 3 361.195 3.219 20 0 FGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)Cc1ccc(C(F)(F)F)cc1 ZINC000024892629 494677911 /nfs/dbraw/zinc/67/79/11/494677911.db2.gz GOEJZPNVTNPFDI-UHFFFAOYSA-N -1 3 372.368 3.258 20 0 FGADHM COCCOc1cc([N-]S(=O)(=O)c2ccc(C)c(C)c2)ccc1OC ZINC000024955854 494682219 /nfs/dbraw/zinc/68/22/19/494682219.db2.gz GYPLTZNKHFMEKY-UHFFFAOYSA-N -1 3 365.451 3.138 20 0 FGADHM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(F)ccc2Cl)ccc1C ZINC000075081660 494683858 /nfs/dbraw/zinc/68/38/58/494683858.db2.gz LFRZFUNIQPVCRN-UHFFFAOYSA-N -1 3 357.790 3.375 20 0 FGADHM Cc1nn(C)c2ncc(S(=O)(=O)[N-]c3cccc(C)c3Cl)cc12 ZINC000075082072 494684849 /nfs/dbraw/zinc/68/48/49/494684849.db2.gz KJZYVLFHLBVWCI-UHFFFAOYSA-N -1 3 350.831 3.039 20 0 FGADHM CC(C)(C)c1nc(CN2CCN(C(=O)c3ccccc3[O-])CC2)cs1 ZINC000047427316 494704595 /nfs/dbraw/zinc/70/45/95/494704595.db2.gz IZEMGWAHWNFOFY-UHFFFAOYSA-N -1 3 359.495 3.104 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)c1ccc(Cl)cn1 ZINC000580344890 505737360 /nfs/dbraw/zinc/73/73/60/505737360.db2.gz VKXZGWSPXKPJRG-ZETCQYMHSA-N -1 3 350.749 3.192 20 0 FGADHM CCCOc1ccc(OCCN(C)Cc2nc3ccsc3c(=O)[n-]2)cc1 ZINC000131772041 494726819 /nfs/dbraw/zinc/72/68/19/494726819.db2.gz IJHGDGBQUQEVNX-UHFFFAOYSA-N -1 3 373.478 3.284 20 0 FGADHM CC1(C)Cc2ccc(C(=O)Nc3c[nH]nc3-c3ccccn3)c([O-])c2O1 ZINC000092760930 494740408 /nfs/dbraw/zinc/74/04/08/494740408.db2.gz UPJCYHMMFJEEJY-UHFFFAOYSA-N -1 3 350.378 3.143 20 0 FGADHM COc1cccc(-c2noc([C@@H](C)NC(=O)c3ccc(C)cc3[O-])n2)c1 ZINC000075379044 494750026 /nfs/dbraw/zinc/75/00/26/494750026.db2.gz LXHCTCDSZOWIFQ-GFCCVEGCSA-N -1 3 353.378 3.250 20 0 FGADHM O=S(=O)([N-]c1ccc(Br)cc1F)c1ccc2c(c1)COC2 ZINC000068074923 494752091 /nfs/dbraw/zinc/75/20/91/494752091.db2.gz BQERTONYEJVFGW-UHFFFAOYSA-N -1 3 372.215 3.419 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2cccc(-c3nccn3C)c2)c(C)c1 ZINC000108639064 494754804 /nfs/dbraw/zinc/75/48/04/494754804.db2.gz SVZJTYBSTGTCNT-UHFFFAOYSA-N -1 3 357.435 3.205 20 0 FGADHM COc1ccc([C@H]2[C@H](C(=O)Nc3cc(Cl)ccc3[O-])CC(=O)N2C)cc1 ZINC000116443459 494788135 /nfs/dbraw/zinc/78/81/35/494788135.db2.gz CYACKWMYLTXSLJ-KDOFPFPSSA-N -1 3 374.824 3.212 20 0 FGADHM COc1ccccc1C1(C[N-]S(=O)(=O)c2ccc(Cl)cc2F)CC1 ZINC000116447556 494788679 /nfs/dbraw/zinc/78/86/79/494788679.db2.gz ZBZYJRHVGTYLJJ-UHFFFAOYSA-N -1 3 369.845 3.498 20 0 FGADHM Cc1cc(C)n(-c2ccc([C@@H](C)NC(=O)c3c([O-])cccc3O)cc2)n1 ZINC000092123125 494795321 /nfs/dbraw/zinc/79/53/21/494795321.db2.gz XIZTTYJDBRZJMR-CQSZACIVSA-N -1 3 351.406 3.391 20 0 FGADHM O=S(=O)([N-]C[C@@H]1CCOc2ccccc21)c1cc(F)ccc1Cl ZINC000108875006 494797720 /nfs/dbraw/zinc/79/77/20/494797720.db2.gz HUNVWSAMPNKNGN-NSHDSACASA-N -1 3 355.818 3.324 20 0 FGADHM Cc1c([O-])ccc2c(CN3CCO[C@@H](c4cccc(O)c4)C3)cc(=O)oc12 ZINC000121557183 494802419 /nfs/dbraw/zinc/80/24/19/494802419.db2.gz PQBVQDJAECGKGO-LJQANCHMSA-N -1 3 367.401 3.086 20 0 FGADHM COc1ccc(C)cc1C1(CNC(=O)c2cc(C)ccc2[O-])CCOCC1 ZINC000108953495 494811147 /nfs/dbraw/zinc/81/11/47/494811147.db2.gz IGRUWBZZAYXIOU-UHFFFAOYSA-N -1 3 369.461 3.496 20 0 FGADHM CCOc1ccccc1OCCCC(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000026254467 494812830 /nfs/dbraw/zinc/81/28/30/494812830.db2.gz AMNPQAHEJVPXMI-UHFFFAOYSA-N -1 3 358.320 3.020 20 0 FGADHM CCOc1ccccc1OCCCC(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000026254467 494812836 /nfs/dbraw/zinc/81/28/36/494812836.db2.gz AMNPQAHEJVPXMI-UHFFFAOYSA-N -1 3 358.320 3.020 20 0 FGADHM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C)Cc2c(C)noc2C)c1 ZINC000132088678 494817501 /nfs/dbraw/zinc/81/75/01/494817501.db2.gz PIBCWEFDWZEULN-VIFPVBQESA-N -1 3 370.858 3.057 20 0 FGADHM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-][C@H](C)c1cccc(C)c1C ZINC000132127053 494825315 /nfs/dbraw/zinc/82/53/15/494825315.db2.gz IJCPVOXYAOPJRD-CYBMUJFWSA-N -1 3 365.426 3.269 20 0 FGADHM CCCS(=O)(=O)[N-]c1cc(NC(=O)C(C2CC2)C2CC2)c(F)cc1F ZINC000126761742 494834070 /nfs/dbraw/zinc/83/40/70/494834070.db2.gz HYONYWOIRFKKSP-UHFFFAOYSA-N -1 3 372.437 3.491 20 0 FGADHM C[C@H](O)C[C@H]1CCCN1C(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000093241795 494850237 /nfs/dbraw/zinc/85/02/37/494850237.db2.gz UVKXJCNWHNIETN-DOTOQJQBSA-N -1 3 355.434 3.347 20 0 FGADHM O=C(c1ccc2c(c1)CCCC2)C(C(=S)[N-]C1CC1)[n+]1cccc([O-])c1 ZINC000027061262 494851122 /nfs/dbraw/zinc/85/11/22/494851122.db2.gz NVINPWFNXDRUAM-UHFFFAOYSA-O -1 3 367.494 3.249 20 0 FGADHM O=C(CCC1CCCC1)N1CCN(Cc2nc3ccsc3c(=O)[n-]2)CC1 ZINC000027122150 494852685 /nfs/dbraw/zinc/85/26/85/494852685.db2.gz HWMIZBWVQRFPCD-UHFFFAOYSA-N -1 3 374.510 3.012 20 0 FGADHM CCCO[C@@H]1CCCN(c2ccc(-c3nc(CC)cc(=O)[n-]3)cn2)CC1 ZINC000109321422 494859922 /nfs/dbraw/zinc/85/99/22/494859922.db2.gz AFJWWMJHCLVYMN-QGZVFWFLSA-N -1 3 356.470 3.180 20 0 FGADHM CCN(CC)C(=O)c1ccc(NC(=O)c2cc(C)cc(OC)c2[O-])cc1 ZINC000126942746 494865602 /nfs/dbraw/zinc/86/56/02/494865602.db2.gz SRSNKXZTJYWQCC-UHFFFAOYSA-N -1 3 356.422 3.444 20 0 FGADHM Cc1cc(Cl)cc(NC(=O)c2ccc(CN3C(=O)CCC3=O)cc2)c1[O-] ZINC000116979039 494878502 /nfs/dbraw/zinc/87/85/02/494878502.db2.gz LLIAKOFECJYYPC-UHFFFAOYSA-N -1 3 372.808 3.255 20 0 FGADHM COCC[S@@](=O)Cc1cccc(NC(=O)c2ccc(C)c(C)c2[O-])c1 ZINC000116987093 494880630 /nfs/dbraw/zinc/88/06/30/494880630.db2.gz QWEXCYCNBGIETN-VWLOTQADSA-N -1 3 361.463 3.156 20 0 FGADHM CCCS(=O)(=O)[N-]c1ccc(-c2nc(COc3ccccc3)no2)cc1 ZINC000109484398 494881284 /nfs/dbraw/zinc/88/12/84/494881284.db2.gz QKSWLAFMVWXIKW-UHFFFAOYSA-N -1 3 373.434 3.467 20 0 FGADHM O=C(NCc1ccc(-c2ccc3c(c2)CCO3)cc1)c1ccc2n[n-]nc2c1 ZINC000109522823 494885211 /nfs/dbraw/zinc/88/52/11/494885211.db2.gz MZVGDBYITZYGDZ-UHFFFAOYSA-N -1 3 370.412 3.490 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N(Cc2ccccc2)C[C@@H]2CCCO2)c1 ZINC000121950995 494897600 /nfs/dbraw/zinc/89/76/00/494897600.db2.gz ZKKOFKPZVWPDJJ-SFHVURJKSA-N -1 3 368.433 3.172 20 0 FGADHM COc1cccc([C@H]2C[C@@H]2C(=O)Nc2n[n-]c(-c3ccccc3F)n2)c1 ZINC000109626317 494898196 /nfs/dbraw/zinc/89/81/96/494898196.db2.gz AQLGSZQIZBOULM-CABCVRRESA-N -1 3 352.369 3.362 20 0 FGADHM CCCC[C@H](CC)CC(=O)Nc1cc(N2CCCS2(=O)=O)ccc1[O-] ZINC000117412716 494917467 /nfs/dbraw/zinc/91/74/67/494917467.db2.gz VSOFWFOKRUAITC-AWEZNQCLSA-N -1 3 368.499 3.477 20 0 FGADHM Cn1nc([C@@H]2CCCOC2)cc1NCc1cc([O-])ccc1Br ZINC000571508632 505749734 /nfs/dbraw/zinc/74/97/34/505749734.db2.gz PNDDHLOFAWAWPD-LLVKDONJSA-N -1 3 366.259 3.394 20 0 FGADHM CCc1ccc([O-])c(C(=O)N(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)c1 ZINC000093923039 494935865 /nfs/dbraw/zinc/93/58/65/494935865.db2.gz KTOASWJSDAZGEU-CYBMUJFWSA-N -1 3 361.463 3.191 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N[C@H](C)Cc3ccccc3F)c[n-]c12 ZINC000122200455 494939647 /nfs/dbraw/zinc/93/96/47/494939647.db2.gz SOLHUACBJPJRIU-GFCCVEGCSA-N -1 3 356.372 3.476 20 0 FGADHM COc1ccc(C)cc1NC(=O)[C@H]1CCCN1C(=O)c1cccc(C)c1[O-] ZINC000117708767 494947395 /nfs/dbraw/zinc/94/73/95/494947395.db2.gz YRZNOHJYLLPYQX-QGZVFWFLSA-N -1 3 368.433 3.261 20 0 FGADHM CCc1ccc([O-])c(C(=O)N2CSC[C@@H]2C(=O)Nc2ccccc2C)c1 ZINC000094089873 494947675 /nfs/dbraw/zinc/94/76/75/494947675.db2.gz STHBCAIIVNNRNV-QGZVFWFLSA-N -1 3 370.474 3.417 20 0 FGADHM O=C([N-]c1nncn1Cc1ccccc1)c1csc(-c2ccoc2)n1 ZINC000117736414 494951280 /nfs/dbraw/zinc/95/12/80/494951280.db2.gz JMBLEHOFKREYHM-UHFFFAOYSA-N -1 3 351.391 3.295 20 0 FGADHM CCc1nc([N-]C(=O)c2c(C)onc2-c2ccccn2)sc1C(=O)OC ZINC000127524554 494956953 /nfs/dbraw/zinc/95/69/53/494956953.db2.gz ACBWJKUSWGYEFL-UHFFFAOYSA-N -1 3 372.406 3.103 20 0 FGADHM Cc1cc(F)c(S(=O)(=O)[N-]Cc2coc(-c3ccccc3)n2)cc1F ZINC000122321607 494957420 /nfs/dbraw/zinc/95/74/20/494957420.db2.gz ATINGPLHMNZQFG-UHFFFAOYSA-N -1 3 364.373 3.407 20 0 FGADHM Cc1nc(C)c(CC(=O)N[C@H](C)c2cccc(Cl)c2Cl)c(=O)[n-]1 ZINC000117859540 494960175 /nfs/dbraw/zinc/96/01/75/494960175.db2.gz AFLCUJLOWYPPIT-MRVPVSSYSA-N -1 3 354.237 3.113 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)c1cnn2c1nccc2-c1ccccc1 ZINC000133052078 494961631 /nfs/dbraw/zinc/96/16/31/494961631.db2.gz SPZCZAAQMWOGLV-UHFFFAOYSA-N -1 3 362.364 3.171 20 0 FGADHM COC(=O)c1ccc(F)c([N-]C(=O)c2c(C)onc2-c2ccncc2)c1 ZINC000122436275 494975332 /nfs/dbraw/zinc/97/53/32/494975332.db2.gz OKGOCMJGOZCRHH-UHFFFAOYSA-N -1 3 355.325 3.223 20 0 FGADHM O=S(=O)([N-]CCC[C@@H]1CCCC[C@H]1O)c1ccccc1C(F)(F)F ZINC000127702287 494984291 /nfs/dbraw/zinc/98/42/91/494984291.db2.gz RBXCVKRENHEECK-GXTWGEPZSA-N -1 3 365.417 3.315 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc4nccnc4c3)c2)n1 ZINC000122501336 494985404 /nfs/dbraw/zinc/98/54/04/494985404.db2.gz JWBQDXAUOVSVIJ-UHFFFAOYSA-N -1 3 371.400 3.195 20 0 FGADHM C[C@H](Oc1ccc(F)cc1Br)C(=O)Nc1ncccc1[O-] ZINC000110526049 494986458 /nfs/dbraw/zinc/98/64/58/494986458.db2.gz LUFKVRYBKZPGST-QMMMGPOBSA-N -1 3 355.163 3.095 20 0 FGADHM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2C)c(F)c1 ZINC000110590155 494992481 /nfs/dbraw/zinc/99/24/81/494992481.db2.gz PJDQMGZQXBYTBW-UHFFFAOYSA-N -1 3 357.790 3.375 20 0 FGADHM CC(C)[C@@H](CCO)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000122557919 494994201 /nfs/dbraw/zinc/99/42/01/494994201.db2.gz XGFMTSZPVRHGKV-LLVKDONJSA-N -1 3 359.797 3.044 20 0 FGADHM Cc1ccc(-c2nc([N-]C(=O)c3csc([C@@H]4CCCO4)n3)n[nH]2)cc1 ZINC000133476955 495017982 /nfs/dbraw/zinc/01/79/82/495017982.db2.gz MWOJAAPQSXLOJK-ZDUSSCGKSA-N -1 3 355.423 3.340 20 0 FGADHM CS(=O)(=O)c1ccsc1[N-]C(=O)c1ccc(Br)s1 ZINC000118636030 495019112 /nfs/dbraw/zinc/01/91/12/495019112.db2.gz IHCQHPXPIVYWSD-UHFFFAOYSA-N -1 3 366.283 3.228 20 0 FGADHM COc1cc(NC2CCN(C(=O)c3cccc(C)c3[O-])CC2)cc(OC)c1 ZINC000127949079 495021373 /nfs/dbraw/zinc/02/13/73/495021373.db2.gz FIEHGHUMTQTTSH-UHFFFAOYSA-N -1 3 370.449 3.435 20 0 FGADHM CCO[C@H]1C[C@H](N(C)C(=O)c2cc(NC(C)=O)ccc2[O-])C12CCCC2 ZINC000122740255 495023259 /nfs/dbraw/zinc/02/32/59/495023259.db2.gz FNHPWSSBBHVMBL-ROUUACIJSA-N -1 3 360.454 3.160 20 0 FGADHM CC[C@@H](CC(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1ccc(OC)cc1 ZINC000127984544 495026907 /nfs/dbraw/zinc/02/69/07/495026907.db2.gz HQPXQGZEGGQSIT-HNNXBMFYSA-N -1 3 365.437 3.075 20 0 FGADHM CC[C@@H](CC(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1ccc(OC)cc1 ZINC000127984544 495026911 /nfs/dbraw/zinc/02/69/11/495026911.db2.gz HQPXQGZEGGQSIT-HNNXBMFYSA-N -1 3 365.437 3.075 20 0 FGADHM Cc1ccc(NC(=O)CCc2c(C)nc(C)[n-]c2=O)cc1Br ZINC000128039130 495035679 /nfs/dbraw/zinc/03/56/79/495035679.db2.gz ZVHBEUVLAJXEBJ-UHFFFAOYSA-N -1 3 364.243 3.029 20 0 FGADHM O=C(NCc1cccc2ccccc21)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000097477176 495036842 /nfs/dbraw/zinc/03/68/42/495036842.db2.gz XHGUMJIGIVRRSE-FQEVSTJZSA-N -1 3 374.440 3.466 20 0 FGADHM Cc1cccc(C(=O)N2CCCN(C(=O)c3ccc(Cl)cc3)CC2)c1[O-] ZINC000097676292 495041026 /nfs/dbraw/zinc/04/10/26/495041026.db2.gz NPCDHHHEJPTBHN-UHFFFAOYSA-N -1 3 372.852 3.342 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)C[C@H](C)c3ccccc3OC)[n-]c21 ZINC000122887324 495047367 /nfs/dbraw/zinc/04/73/67/495047367.db2.gz LCGPIWFSJFTOIB-LBPRGKRZSA-N -1 3 367.405 3.490 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)C[C@H](C)c3ccccc3OC)nc21 ZINC000122887324 495047372 /nfs/dbraw/zinc/04/73/72/495047372.db2.gz LCGPIWFSJFTOIB-LBPRGKRZSA-N -1 3 367.405 3.490 20 0 FGADHM COc1cc(F)c(S(=O)(=O)[N-][C@H]2c3ccccc3C[C@@H]2C)cc1OC ZINC000111368424 495067838 /nfs/dbraw/zinc/06/78/38/495067838.db2.gz AIMHXMIVPDIJQM-BBATYDOGSA-N -1 3 365.426 3.055 20 0 FGADHM CCCCO[C@@H]1C[C@H](N(C)C(=O)c2cc(NC(C)=O)ccc2[O-])C1(C)C ZINC000123038459 495071551 /nfs/dbraw/zinc/07/15/51/495071551.db2.gz ZQSCPCLIMALVOT-ZWKOTPCHSA-N -1 3 362.470 3.406 20 0 FGADHM CN(CCc1cccc2ccccc21)C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000101602256 495084284 /nfs/dbraw/zinc/08/42/84/495084284.db2.gz KCZRFTIEPRIYLP-UHFFFAOYSA-N -1 3 373.412 3.430 20 0 FGADHM CC(C)(C)[C@@H](O)C[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000119084133 495088715 /nfs/dbraw/zinc/08/87/15/495088715.db2.gz PIWHUZYLCJZNQK-NSHDSACASA-N -1 3 359.797 3.044 20 0 FGADHM Cc1c(C(=O)Nc2cccc([O-])c2F)nnn1-c1cccc2ncccc21 ZINC000128413978 495092924 /nfs/dbraw/zinc/09/29/24/495092924.db2.gz VGZGOHLIRGRQMJ-UHFFFAOYSA-N -1 3 363.352 3.221 20 0 FGADHM CN(C)[C@H](C[N-]S(=O)(=O)c1cc2ccccc2o1)c1ccc(F)cc1 ZINC000134018654 495094772 /nfs/dbraw/zinc/09/47/72/495094772.db2.gz JBMKNZZVTWXSMB-MRXNPFEDSA-N -1 3 362.426 3.153 20 0 FGADHM Cc1cccc(C(=O)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)c1[O-] ZINC000101840499 495101973 /nfs/dbraw/zinc/10/19/73/495101973.db2.gz BVLLYLMHSIMCMQ-UHFFFAOYSA-N -1 3 356.397 3.331 20 0 FGADHM Cn1ccnc1-c1cc(NC(=O)CCn2ccc3cc(Cl)ccc32)n[n-]1 ZINC000123294585 495109670 /nfs/dbraw/zinc/10/96/70/495109670.db2.gz QHAYCGPZCFVDII-UHFFFAOYSA-N -1 3 368.828 3.447 20 0 FGADHM Cn1ccnc1-c1cc(NC(=O)CCn2ccc3cc(Cl)ccc32)[n-]n1 ZINC000123294585 495109672 /nfs/dbraw/zinc/10/96/72/495109672.db2.gz QHAYCGPZCFVDII-UHFFFAOYSA-N -1 3 368.828 3.447 20 0 FGADHM Cc1ccc(C(=O)N2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)c([O-])c1C ZINC000101959829 495111429 /nfs/dbraw/zinc/11/14/29/495111429.db2.gz CZHTUKBPFNVDQI-MRXNPFEDSA-N -1 3 371.412 3.184 20 0 FGADHM C[C@H](CC(=O)c1ccccc1)[N-]S(=O)(=O)c1cccc2c1N=S=N2 ZINC000134142982 495112348 /nfs/dbraw/zinc/11/23/48/495112348.db2.gz KGYMFXRSAHDTEK-LLVKDONJSA-N -1 3 361.448 3.353 20 0 FGADHM CC[C@H](C[N-]S(=O)(=O)c1sccc1OC)Oc1cccc(C)c1 ZINC000123327738 495114989 /nfs/dbraw/zinc/11/49/89/495114989.db2.gz HYGXWCMHRFKPBG-CYBMUJFWSA-N -1 3 355.481 3.201 20 0 FGADHM COc1cc(C(=O)NC[C@@H](C)c2ccc(F)cc2F)cc(OC)c1[O-] ZINC000123346140 495118514 /nfs/dbraw/zinc/11/85/14/495118514.db2.gz AFTDMLIQFSKKGU-SNVBAGLBSA-N -1 3 351.349 3.221 20 0 FGADHM O=C(c1c[n-]c2ccncc2c1=O)N1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000568725430 505762379 /nfs/dbraw/zinc/76/23/79/505762379.db2.gz MGCKZTVHKYPIAH-GOSISDBHSA-N -1 3 359.429 3.333 20 0 FGADHM Cc1ccc(-c2cncc(C(=O)Nc3cccc(-c4nnn[n-]4)c3)c2)cc1 ZINC000134218843 495123230 /nfs/dbraw/zinc/12/32/30/495123230.db2.gz MVVIKWSPWLVJHC-UHFFFAOYSA-N -1 3 356.389 3.489 20 0 FGADHM Cc1ccc(-c2cncc(C(=O)Nc3cccc(-c4nn[n-]n4)c3)c2)cc1 ZINC000134218843 495123232 /nfs/dbraw/zinc/12/32/32/495123232.db2.gz MVVIKWSPWLVJHC-UHFFFAOYSA-N -1 3 356.389 3.489 20 0 FGADHM O=C(Cc1ccc([O-])cc1Cl)Nc1cc(F)cc(N2CCOCC2)c1 ZINC000128607488 495123330 /nfs/dbraw/zinc/12/33/30/495123330.db2.gz KHDMVQXRSRELBC-UHFFFAOYSA-N -1 3 364.804 3.203 20 0 FGADHM CCc1ccc([C@H]2CCCCN2C(=O)c2cnc3c(cnn3C)c2[O-])o1 ZINC000119283525 495133660 /nfs/dbraw/zinc/13/36/60/495133660.db2.gz GTORBHYKQRMLFY-OAHLLOKOSA-N -1 3 354.410 3.197 20 0 FGADHM Cc1ccc(C(C)(C)CN(C)C(=O)c2cnc3c(cnn3C)c2[O-])cc1 ZINC000119291704 495135272 /nfs/dbraw/zinc/13/52/72/495135272.db2.gz LKPFTBNYBMBRHB-UHFFFAOYSA-N -1 3 352.438 3.032 20 0 FGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@H](C)c1cc2ccccc2o1 ZINC000119307584 495138145 /nfs/dbraw/zinc/13/81/45/495138145.db2.gz LGOWHNLDPHXMOJ-SNVBAGLBSA-N -1 3 365.432 3.320 20 0 FGADHM Cn1ccnc1-c1cc(NC(=O)CCCCC(=O)c2ccccc2)n[n-]1 ZINC000119315408 495140631 /nfs/dbraw/zinc/14/06/31/495140631.db2.gz ORMPJJAKDJYGTB-UHFFFAOYSA-N -1 3 351.410 3.192 20 0 FGADHM Cn1ccnc1-c1cc(NC(=O)CCCCC(=O)c2ccccc2)[n-]n1 ZINC000119315408 495140634 /nfs/dbraw/zinc/14/06/34/495140634.db2.gz ORMPJJAKDJYGTB-UHFFFAOYSA-N -1 3 351.410 3.192 20 0 FGADHM O=c1[n-]c(CN2CC[C@H](Oc3ccccc3Cl)C2)nc2ccsc21 ZINC000128731307 495142425 /nfs/dbraw/zinc/14/24/25/495142425.db2.gz KXNVOBJGNFRCIB-NSHDSACASA-N -1 3 361.854 3.291 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1cnc(-c2ccsc2)s1 ZINC000112242882 495159727 /nfs/dbraw/zinc/15/97/27/495159727.db2.gz UNDCDNAXMOHRIZ-UHFFFAOYSA-N -1 3 354.420 3.304 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cnc(-c2ccsc2)s1 ZINC000112242882 495159728 /nfs/dbraw/zinc/15/97/28/495159728.db2.gz UNDCDNAXMOHRIZ-UHFFFAOYSA-N -1 3 354.420 3.304 20 0 FGADHM CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000123620807 495161732 /nfs/dbraw/zinc/16/17/32/495161732.db2.gz RVQULSYDANTFRV-UHFFFAOYSA-N -1 3 357.801 3.316 20 0 FGADHM CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000123620807 495161734 /nfs/dbraw/zinc/16/17/34/495161734.db2.gz RVQULSYDANTFRV-UHFFFAOYSA-N -1 3 357.801 3.316 20 0 FGADHM C[C@H](CNC(=O)NCc1ccc([O-])c(F)c1)c1nc(-c2ccccc2)no1 ZINC000134574545 495169976 /nfs/dbraw/zinc/16/99/76/495169976.db2.gz JAKLPJUIUNYXJE-GFCCVEGCSA-N -1 3 370.384 3.184 20 0 FGADHM COC(=O)CCCOc1ccc(NC(=O)c2cc(-c3ccco3)[n-]n2)cc1 ZINC000112318629 495174470 /nfs/dbraw/zinc/17/44/70/495174470.db2.gz VTVXFAIIGTVJOR-UHFFFAOYSA-N -1 3 369.377 3.254 20 0 FGADHM COC(=O)CCCOc1ccc(NC(=O)c2cc(-c3ccco3)n[n-]2)cc1 ZINC000112318629 495174472 /nfs/dbraw/zinc/17/44/72/495174472.db2.gz VTVXFAIIGTVJOR-UHFFFAOYSA-N -1 3 369.377 3.254 20 0 FGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]Cc2cc3ccccc3[nH]2)c1 ZINC000112361949 495181287 /nfs/dbraw/zinc/18/12/87/495181287.db2.gz JGXWQBGOFJCIMU-UHFFFAOYSA-N -1 3 350.827 3.308 20 0 FGADHM Cc1ccc(C(=O)N(C)[C@@H]2CCN(c3ccccc3F)C2=O)c([O-])c1C ZINC000112402637 495185382 /nfs/dbraw/zinc/18/53/82/495185382.db2.gz FWPCHVRUIADXOY-QGZVFWFLSA-N -1 3 356.397 3.026 20 0 FGADHM COc1ccc([O-])c(C(=O)N(Cc2ccccc2)CC2(O)CCCC2)c1 ZINC000119601090 495199225 /nfs/dbraw/zinc/19/92/25/495199225.db2.gz LIJMYRIEFKMMBQ-UHFFFAOYSA-N -1 3 355.434 3.348 20 0 FGADHM CN(CC1(O)CCCC1)C(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000123905382 495204432 /nfs/dbraw/zinc/20/44/32/495204432.db2.gz MDBXLSFKUKXXNB-UHFFFAOYSA-N -1 3 355.434 3.348 20 0 FGADHM O=C(N=c1cc2ccccn2[n-]1)N1CCCC[C@@H]1c1nnc(C2CCC2)o1 ZINC000568744143 505767980 /nfs/dbraw/zinc/76/79/80/505767980.db2.gz ZLFPNULEBCBBAQ-OAHLLOKOSA-N -1 3 366.425 3.166 20 0 FGADHM Cc1ccsc1CCCC(=O)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000129276603 495221963 /nfs/dbraw/zinc/22/19/63/495221963.db2.gz JALRRLSRUPOZII-UHFFFAOYSA-N -1 3 372.490 3.069 20 0 FGADHM Cc1csc2[n-]c(CC(=O)Nc3ccccc3C(F)(F)F)nc(=O)c12 ZINC000119713890 495224950 /nfs/dbraw/zinc/22/49/50/495224950.db2.gz BQYBGONUNBMDRO-UHFFFAOYSA-N -1 3 367.352 3.493 20 0 FGADHM CCC[C@H](NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)c1ccc(F)cc1F ZINC000124054009 495226388 /nfs/dbraw/zinc/22/63/88/495226388.db2.gz QENRYQGKJPMDQR-INIZCTEOSA-N -1 3 358.344 3.120 20 0 FGADHM Cc1cc(C)nc(-n2cc(C(=O)Nc3cccc([O-])c3F)c(C(C)C)n2)n1 ZINC000129372045 495236064 /nfs/dbraw/zinc/23/60/64/495236064.db2.gz YDHCLBMWBCWWFP-UHFFFAOYSA-N -1 3 369.400 3.500 20 0 FGADHM Cn1ccnc1-c1cc(NC(=O)c2ccc3nc(Cl)ccc3c2)n[n-]1 ZINC000119879782 495260766 /nfs/dbraw/zinc/26/07/66/495260766.db2.gz WYBCZVBVJCUYLY-UHFFFAOYSA-N -1 3 352.785 3.264 20 0 FGADHM Cn1ccnc1-c1cc(NC(=O)c2ccc3nc(Cl)ccc3c2)[n-]n1 ZINC000119879782 495260767 /nfs/dbraw/zinc/26/07/67/495260767.db2.gz WYBCZVBVJCUYLY-UHFFFAOYSA-N -1 3 352.785 3.264 20 0 FGADHM O=C(CCCN1CCN(c2ccccc2)CC1)Nc1cccc([O-])c1F ZINC000129559244 495262069 /nfs/dbraw/zinc/26/20/69/495262069.db2.gz XQKGOILGPGAAIJ-UHFFFAOYSA-N -1 3 357.429 3.072 20 0 FGADHM CC(C)c1cc(C(=O)NCc2nnc3n2CCCC3)c([O-])c(C(C)C)c1 ZINC000119937511 495273331 /nfs/dbraw/zinc/27/33/31/495273331.db2.gz OFPWZMIKPAUZIM-UHFFFAOYSA-N -1 3 356.470 3.497 20 0 FGADHM Cc1nc(C)c(CC[N-]S(=O)(=O)c2cc(C)c(F)cc2Cl)s1 ZINC000119982865 495282333 /nfs/dbraw/zinc/28/23/33/495282333.db2.gz FHBJOWSDAQHUIV-UHFFFAOYSA-N -1 3 362.879 3.382 20 0 FGADHM Cc1nc([C@@H]([N-]C(=O)CC(F)(F)F)c2ccc(Cl)c(F)c2)no1 ZINC000124564820 495308248 /nfs/dbraw/zinc/30/82/48/495308248.db2.gz LFRJUIPXCUJELO-NSHDSACASA-N -1 3 351.687 3.329 20 0 FGADHM Cc1ccccc1-c1csc(NC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)n1 ZINC000104847470 495309776 /nfs/dbraw/zinc/30/97/76/495309776.db2.gz WGTGRYRIUGWNSO-UHFFFAOYSA-N -1 3 363.398 3.254 20 0 FGADHM O=C(Cc1ccc(F)cc1)N1CCC[C@H](C(=O)Nc2ccc([O-])cc2F)C1 ZINC000124580816 495310355 /nfs/dbraw/zinc/31/03/55/495310355.db2.gz VPFSFNMILNEKEZ-AWEZNQCLSA-N -1 3 374.387 3.090 20 0 FGADHM CN(Cc1csc2ccccc12)C(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000104851130 495310915 /nfs/dbraw/zinc/31/09/15/495310915.db2.gz JKTDYPGZZKNGBN-UHFFFAOYSA-N -1 3 350.399 3.057 20 0 FGADHM CCc1noc(CC)c1C[N-]S(=O)(=O)Cc1cc(Cl)ccc1F ZINC000124582979 495311009 /nfs/dbraw/zinc/31/10/09/495311009.db2.gz KUHYNFFWTMGNHX-UHFFFAOYSA-N -1 3 360.838 3.212 20 0 FGADHM Cc1csc(-c2cccc(NC(=O)c3ccc4c(c3)C(=O)[N-]C4=O)c2)n1 ZINC000104884344 495312738 /nfs/dbraw/zinc/31/27/38/495312738.db2.gz VKLIEIZEBGSJSV-UHFFFAOYSA-N -1 3 363.398 3.254 20 0 FGADHM CC(C)C[N@H+]1CCC[C@@H](C[N-]S(=O)(=O)c2cc3ccccc3o2)C1 ZINC000120187980 495324124 /nfs/dbraw/zinc/32/41/24/495324124.db2.gz XOGYCQRWLYLFNP-HNNXBMFYSA-N -1 3 350.484 3.079 20 0 FGADHM CC(C)CN1CCC[C@@H](C[N-]S(=O)(=O)c2cc3ccccc3o2)C1 ZINC000120187980 495324129 /nfs/dbraw/zinc/32/41/29/495324129.db2.gz XOGYCQRWLYLFNP-HNNXBMFYSA-N -1 3 350.484 3.079 20 0 FGADHM Cn1cc(C(=O)NCc2ccc([O-])c(Br)c2)c(C2CCC2)n1 ZINC000571621532 505774805 /nfs/dbraw/zinc/77/48/05/505774805.db2.gz AKUSVGGYLHNDLG-UHFFFAOYSA-N -1 3 364.243 3.086 20 0 FGADHM CCOC[C@H]1CCCN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)C1 ZINC000113936667 495338099 /nfs/dbraw/zinc/33/80/99/495338099.db2.gz CJOWENWEXAAGCZ-ZDUSSCGKSA-N -1 3 373.478 3.493 20 0 FGADHM CCOCCOc1ccc(S(=O)(=O)[N-]c2ccc3ncccc3c2)cc1 ZINC000135928446 495343615 /nfs/dbraw/zinc/34/36/15/495343615.db2.gz WIBRFFZXAMQTBQ-UHFFFAOYSA-N -1 3 372.446 3.451 20 0 FGADHM Cn1ncc(C(=O)Nc2nnc(-c3cc4ccccc4o3)[n-]2)c1C(F)F ZINC000577694086 505776203 /nfs/dbraw/zinc/77/62/03/505776203.db2.gz HBRWSVKNKOPYRY-UHFFFAOYSA-N -1 3 358.308 3.141 20 0 FGADHM Cn1ncc(C(=O)Nc2nc(-c3cc4ccccc4o3)n[n-]2)c1C(F)F ZINC000577694086 505776207 /nfs/dbraw/zinc/77/62/07/505776207.db2.gz 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ZINC000105616375 495377324 /nfs/dbraw/zinc/37/73/24/495377324.db2.gz CFBZDYWNIWVHEB-MRVPVSSYSA-N -1 3 363.332 3.291 20 0 FGADHM O=c1cc(CN2CCCC[C@@H]2CCCc2ccccc2)nc2cc[n-]n21 ZINC000125081911 495388049 /nfs/dbraw/zinc/38/80/49/495388049.db2.gz YFPVGRBWHVHEBN-LJQANCHMSA-N -1 3 350.466 3.400 20 0 FGADHM COCCOc1ncccc1C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000125285378 495420276 /nfs/dbraw/zinc/42/02/76/495420276.db2.gz NHTOUWNEBLOWTN-UHFFFAOYSA-N -1 3 356.300 3.084 20 0 FGADHM Cc1cccc(NC(=O)[C@@H](C)N2C[C@H](C(=O)[O-])[C@@H](c3ccccc3)C2)c1 ZINC000571641393 505780926 /nfs/dbraw/zinc/78/09/26/505780926.db2.gz GNWQAZPEHIPFFS-LZQZEXGQSA-N -1 3 352.434 3.122 20 0 FGADHM COc1ccccc1NC1CCN(C(=O)NCc2ccc([O-])c(F)c2)CC1 ZINC000120660629 495429700 /nfs/dbraw/zinc/42/97/00/495429700.db2.gz NAAIJXPTDKGSRQ-UHFFFAOYSA-N -1 3 373.428 3.326 20 0 FGADHM O=C(N[C@H]1CCCc2sccc21)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000137377357 495438984 /nfs/dbraw/zinc/43/89/84/495438984.db2.gz DETMAWALNZRVGE-JKSUJKDBSA-N -1 3 370.474 3.252 20 0 FGADHM CCc1ccccc1C(=O)Nc1n[n-]c(-c2ccc(OC)cc2OC)n1 ZINC000120717366 495441907 /nfs/dbraw/zinc/44/19/07/495441907.db2.gz IMVCUFKAOHQARY-UHFFFAOYSA-N -1 3 352.394 3.304 20 0 FGADHM COc1cc(C)cc(C(=O)Nc2ccc(OCc3nccn3C)cc2)c1[O-] ZINC000106459154 495457722 /nfs/dbraw/zinc/45/77/22/495457722.db2.gz DQJBJMCWSJDPGR-UHFFFAOYSA-N -1 3 367.405 3.274 20 0 FGADHM CCc1cc(=O)[n-]c(CS[C@@H](C)C(=O)N(CC)Cc2ccccc2)n1 ZINC000125544687 495461033 /nfs/dbraw/zinc/46/10/33/495461033.db2.gz XXXHIZQJYRYBBX-AWEZNQCLSA-N -1 3 359.495 3.415 20 0 FGADHM Cc1cc([N-]C(=O)[C@@H](C)N2CCC(Oc3ccc(F)cc3F)CC2)on1 ZINC000120800950 495461048 /nfs/dbraw/zinc/46/10/48/495461048.db2.gz VWSXLGREPXGUNC-GFCCVEGCSA-N -1 3 365.380 3.132 20 0 FGADHM OCc1nnc(Sc2nc(C3CC3)nc3sc4c(c32)CCCC4)[n-]1 ZINC000568819566 505784056 /nfs/dbraw/zinc/78/40/56/505784056.db2.gz XKGHPSOESHVNEV-UHFFFAOYSA-N -1 3 359.480 3.209 20 0 FGADHM OCc1nc(Sc2nc(C3CC3)nc3sc4c(c32)CCCC4)n[n-]1 ZINC000568819566 505784057 /nfs/dbraw/zinc/78/40/57/505784057.db2.gz XKGHPSOESHVNEV-UHFFFAOYSA-N -1 3 359.480 3.209 20 0 FGADHM Cc1cc(F)c(Br)cc1S(=O)(=O)[N-]C1(CF)CCC1 ZINC000577747644 505785001 /nfs/dbraw/zinc/78/50/01/505785001.db2.gz RHWZPIWDKCKQFV-UHFFFAOYSA-N -1 3 354.216 3.067 20 0 FGADHM CC1(C)CCCC[C@@H]1CC(=O)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000120908591 495483097 /nfs/dbraw/zinc/48/30/97/495483097.db2.gz FOYBVHKMWMWKTA-QGZVFWFLSA-N -1 3 358.482 3.283 20 0 FGADHM Cc1cccc(C(=O)Nc2cccc(C[S@@](=O)C3CCOCC3)c2)c1[O-] ZINC000115288743 495485465 /nfs/dbraw/zinc/48/54/65/495485465.db2.gz YIGPREDVEXYMKB-SANMLTNESA-N -1 3 373.474 3.381 20 0 FGADHM O=C([O-])[C@@H]1CCCC[C@@H]1NCc1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC000577752688 505785427 /nfs/dbraw/zinc/78/54/27/505785427.db2.gz NPIQGNBLCQHQOT-OCCSQVGLSA-N -1 3 369.252 3.307 20 0 FGADHM CCc1cc(=O)[n-]c(CS[C@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)n1 ZINC000125756401 495494397 /nfs/dbraw/zinc/49/43/97/495494397.db2.gz SMRYUYBLXSPCPK-NWDGAFQWSA-N -1 3 363.458 3.383 20 0 FGADHM CCCCN(C)c1ccc(NC(=O)C(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000120971468 495494764 /nfs/dbraw/zinc/49/47/64/495494764.db2.gz XIXRNGKBYRZDSV-UHFFFAOYSA-N -1 3 373.428 3.023 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)NCc2cccc(-c3ccccn3)c2)c1 ZINC000120981130 495496759 /nfs/dbraw/zinc/49/67/59/495496759.db2.gz UNUQWKMRZWNGBJ-UHFFFAOYSA-N -1 3 361.401 3.343 20 0 FGADHM CNc1snc(C)c1C(=O)[N-]c1nnc(Cc2ccc(F)cc2)s1 ZINC000106831965 495500074 /nfs/dbraw/zinc/50/00/74/495500074.db2.gz XQIXZMVHPABKNP-UHFFFAOYSA-N -1 3 363.443 3.327 20 0 FGADHM Cc1cn([C@H](C)c2ccccc2)nc1-n1c([O-])c(CC(F)(F)F)[nH]c1=O ZINC000571666514 505786016 /nfs/dbraw/zinc/78/60/16/505786016.db2.gz GEQAXQXZDTWIEN-YPMHNXCESA-N -1 3 366.343 3.178 20 0 FGADHM O=S(=O)([N-][C@@H]1CCN(C2CCCC2)C1)c1c(Cl)cccc1Cl ZINC000106891557 495506972 /nfs/dbraw/zinc/50/69/72/495506972.db2.gz DGLWGXWIQJVXKG-LLVKDONJSA-N -1 3 363.310 3.289 20 0 FGADHM Cc1cc([N-]C(=O)[C@@H](C)Nc2cccc(NC(=O)c3ccoc3)c2)on1 ZINC000131215237 495507407 /nfs/dbraw/zinc/50/74/07/495507407.db2.gz OKYZXSPLIRARKV-GFCCVEGCSA-N -1 3 354.366 3.267 20 0 FGADHM COc1cc(C)cc(C(=O)Nc2ccc(-n3nc(C)cc3C)nc2)c1[O-] ZINC000106905633 495508834 /nfs/dbraw/zinc/50/88/34/495508834.db2.gz NTTUFBLLAJXZJH-UHFFFAOYSA-N -1 3 352.394 3.159 20 0 FGADHM O=C(NCc1ccc(Br)cc1)c1c[n-]c2ccccc2c1=O ZINC000107039424 495520495 /nfs/dbraw/zinc/52/04/95/495520495.db2.gz XFNFEVVWKMYRQX-UHFFFAOYSA-N -1 3 357.207 3.221 20 0 FGADHM COc1ccccc1C[C@@H](C)CC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000107210308 495523543 /nfs/dbraw/zinc/52/35/43/495523543.db2.gz DFDOIUHHLMAODZ-CYBMUJFWSA-N -1 3 351.410 3.083 20 0 FGADHM COc1ccccc1C[C@@H](C)CC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000107210308 495523544 /nfs/dbraw/zinc/52/35/44/495523544.db2.gz DFDOIUHHLMAODZ-CYBMUJFWSA-N -1 3 351.410 3.083 20 0 FGADHM Cc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc(C)c1OC(F)F ZINC000107583969 495529171 /nfs/dbraw/zinc/52/91/71/495529171.db2.gz BDBDPFVJCYQOMH-UHFFFAOYSA-N -1 3 359.336 3.337 20 0 FGADHM Cc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc(C)c1OC(F)F ZINC000107583969 495529172 /nfs/dbraw/zinc/52/91/72/495529172.db2.gz BDBDPFVJCYQOMH-UHFFFAOYSA-N -1 3 359.336 3.337 20 0 FGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@H](C)CCC(C)C)cc1OC ZINC000143863093 495539169 /nfs/dbraw/zinc/53/91/69/495539169.db2.gz PICJEAHZPBHIQD-CYBMUJFWSA-N -1 3 371.503 3.403 20 0 FGADHM CCCCN(C(=O)c1cc(S(=O)(=O)[N-]C)oc1C)C1CCCCC1 ZINC000571676661 505788623 /nfs/dbraw/zinc/78/86/23/505788623.db2.gz GZLAAQJBNQGKRV-UHFFFAOYSA-N -1 3 356.488 3.071 20 0 FGADHM O=C(NCc1cccc(OCC(F)F)c1)NCc1ccc([O-])c(F)c1 ZINC000158610127 495550165 /nfs/dbraw/zinc/55/01/65/495550165.db2.gz HIOJAPFWLYAMTH-UHFFFAOYSA-N -1 3 354.328 3.175 20 0 FGADHM Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)c2ccc3n[n-]nc3c2)cc1 ZINC000173499514 495559663 /nfs/dbraw/zinc/55/96/63/495559663.db2.gz XFAOTHZPJBNBLB-VQIMIIECSA-N -1 3 350.422 3.164 20 0 FGADHM COc1cccc([C@H]2C[C@H]([N-]S(=O)(=O)c3ccc(OC)cc3F)C2)c1 ZINC000568839519 505789304 /nfs/dbraw/zinc/78/93/04/505789304.db2.gz QIWZFGSRPYQWJE-HDJSIYSDSA-N -1 3 365.426 3.067 20 0 FGADHM O=C(NCc1ccc(C(F)F)cc1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000185410542 495567210 /nfs/dbraw/zinc/56/72/10/495567210.db2.gz DIFBAPFLZDQVEG-MRXNPFEDSA-N -1 3 374.387 3.251 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@H]2CCCC[C@H]2C)c1 ZINC000179386679 495570772 /nfs/dbraw/zinc/57/07/72/495570772.db2.gz MYRMNDNRXXDVBP-BZNIZROVSA-N -1 3 357.410 3.249 20 0 FGADHM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C[C@H](C)c2c(C)noc2C)c1 ZINC000158812415 495593914 /nfs/dbraw/zinc/59/39/14/495593914.db2.gz FPDQXRDSGOTFIU-VIFPVBQESA-N -1 3 370.858 3.229 20 0 FGADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2c(F)cccc2NC(C)C)cc1 ZINC000158864959 495604872 /nfs/dbraw/zinc/60/48/72/495604872.db2.gz FISFHZWUGZHHPY-UHFFFAOYSA-N -1 3 365.430 3.405 20 0 FGADHM CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2C)c(Cl)c1 ZINC000158891419 495610211 /nfs/dbraw/zinc/61/02/11/495610211.db2.gz VHAFXQFJUKGOFI-UHFFFAOYSA-N -1 3 352.843 3.117 20 0 FGADHM CC(=O)N1CCCc2cc(NC(=O)c3cc(-c4ccco4)[n-]n3)ccc21 ZINC000158986028 495630229 /nfs/dbraw/zinc/63/02/29/495630229.db2.gz QLNKRDQJALQGHR-UHFFFAOYSA-N -1 3 350.378 3.221 20 0 FGADHM CC(=O)N1CCCc2cc(NC(=O)c3cc(-c4ccco4)n[n-]3)ccc21 ZINC000158986028 495630235 /nfs/dbraw/zinc/63/02/35/495630235.db2.gz QLNKRDQJALQGHR-UHFFFAOYSA-N -1 3 350.378 3.221 20 0 FGADHM C[C@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)NCc1ccc([O-])c(F)c1 ZINC000176389732 495632894 /nfs/dbraw/zinc/63/28/94/495632894.db2.gz RKMSNLDJERFMCY-XELLLNAOSA-N -1 3 364.442 3.171 20 0 FGADHM CN(Cc1ccc(Br)s1)C(=O)c1cccc2[n-]nnc21 ZINC000182678445 495660859 /nfs/dbraw/zinc/66/08/59/495660859.db2.gz QCRBEDJBUPERRI-UHFFFAOYSA-N -1 3 351.229 3.054 20 0 FGADHM CN(Cc1ccc(Br)s1)C(=O)c1cccc2nn[n-]c21 ZINC000182678445 495660864 /nfs/dbraw/zinc/66/08/64/495660864.db2.gz QCRBEDJBUPERRI-UHFFFAOYSA-N -1 3 351.229 3.054 20 0 FGADHM CN(Cc1ccc(Br)s1)C(=O)c1cccc2n[n-]nc21 ZINC000182678445 495660866 /nfs/dbraw/zinc/66/08/66/495660866.db2.gz QCRBEDJBUPERRI-UHFFFAOYSA-N -1 3 351.229 3.054 20 0 FGADHM COc1ccc(Oc2ccc(NC(=O)c3ccc4n[n-]nc4c3)cn2)cc1 ZINC000150869394 495662620 /nfs/dbraw/zinc/66/26/20/495662620.db2.gz VMOAPAVUXBMADM-UHFFFAOYSA-N -1 3 361.361 3.406 20 0 FGADHM CN(Cc1ccccc1OC(F)(F)F)C(=O)c1cccc2[n-]nnc21 ZINC000182699435 495668051 /nfs/dbraw/zinc/66/80/51/495668051.db2.gz WSRHXZKJZQVLEY-UHFFFAOYSA-N -1 3 350.300 3.129 20 0 FGADHM CN(Cc1ccccc1OC(F)(F)F)C(=O)c1cccc2nn[n-]c21 ZINC000182699435 495668055 /nfs/dbraw/zinc/66/80/55/495668055.db2.gz WSRHXZKJZQVLEY-UHFFFAOYSA-N -1 3 350.300 3.129 20 0 FGADHM CN(Cc1ccccc1OC(F)(F)F)C(=O)c1cccc2n[n-]nc21 ZINC000182699435 495668059 /nfs/dbraw/zinc/66/80/59/495668059.db2.gz WSRHXZKJZQVLEY-UHFFFAOYSA-N -1 3 350.300 3.129 20 0 FGADHM O=C(Nc1ccccc1C(=O)N1CCCCC1)c1cc(C(F)(F)F)n[n-]1 ZINC000580585757 505791548 /nfs/dbraw/zinc/79/15/48/505791548.db2.gz VDQGRKSVLQMLGO-UHFFFAOYSA-N -1 3 366.343 3.307 20 0 FGADHM O=C(Nc1ccccc1C(=O)N1CCCCC1)c1cc(C(F)(F)F)[n-]n1 ZINC000580585757 505791552 /nfs/dbraw/zinc/79/15/52/505791552.db2.gz VDQGRKSVLQMLGO-UHFFFAOYSA-N -1 3 366.343 3.307 20 0 FGADHM COc1ccc(N[C@H]2CCc3cc(F)ccc32)cc1[N-]S(C)(=O)=O ZINC000182735738 495682659 /nfs/dbraw/zinc/68/26/59/495682659.db2.gz LOAIANKPEAVUCV-HNNXBMFYSA-N -1 3 350.415 3.305 20 0 FGADHM CCO[C@@H](CCNC(=O)NCc1ccc([O-])c(Br)c1)C(C)C ZINC000150940101 495688145 /nfs/dbraw/zinc/68/81/45/495688145.db2.gz QJYMVWTZAYFSDF-HNNXBMFYSA-N -1 3 373.291 3.405 20 0 FGADHM COc1ccccc1O[C@@H](C)C[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000173780407 495690034 /nfs/dbraw/zinc/69/00/34/495690034.db2.gz SWIQRLJLTIRQQX-NSHDSACASA-N -1 3 373.833 3.234 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)NC[C@H]3CCOc4ccccc43)c[n-]c12 ZINC000150959615 495694543 /nfs/dbraw/zinc/69/45/43/495694543.db2.gz DIQLJDTUQNUELX-CYBMUJFWSA-N -1 3 366.392 3.272 20 0 FGADHM CC[C@@H](C(=O)Nc1nc2cccc(C(=O)OC)c2[n-]1)c1c(C)noc1C ZINC000159269840 495698851 /nfs/dbraw/zinc/69/88/51/495698851.db2.gz PKFSJJOVGNKWRZ-LLVKDONJSA-N -1 3 356.382 3.087 20 0 FGADHM CC[C@@H](C(=O)Nc1nc2c(cccc2C(=O)OC)[n-]1)c1c(C)noc1C ZINC000159269840 495698856 /nfs/dbraw/zinc/69/88/56/495698856.db2.gz PKFSJJOVGNKWRZ-LLVKDONJSA-N -1 3 356.382 3.087 20 0 FGADHM Cc1cccc(CS(=O)(=O)[N-][C@H](COCC(C)C)c2ccco2)c1 ZINC000171101241 495724920 /nfs/dbraw/zinc/72/49/20/495724920.db2.gz DALBZXAZGGGPBZ-QGZVFWFLSA-N -1 3 351.468 3.421 20 0 FGADHM CCCS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc3c(c2)CCCO3)cc1 ZINC000171101469 495725491 /nfs/dbraw/zinc/72/54/91/495725491.db2.gz MGPUAMNONOBACF-UHFFFAOYSA-N -1 3 374.462 3.416 20 0 FGADHM COC(=O)c1[n-]cnc1NC(=O)c1cc(C2CC2)nc2c(C)cc(C)cc12 ZINC000568880673 505799731 /nfs/dbraw/zinc/79/97/31/505799731.db2.gz RIENLKZQMMUYSI-UHFFFAOYSA-N -1 3 364.405 3.491 20 0 FGADHM COC(=O)c1nc[n-]c1NC(=O)c1cc(C2CC2)nc2c(C)cc(C)cc12 ZINC000568880673 505799733 /nfs/dbraw/zinc/79/97/33/505799733.db2.gz RIENLKZQMMUYSI-UHFFFAOYSA-N -1 3 364.405 3.491 20 0 FGADHM Fc1ccc(-n2ccc(CSc3n[n-]c(-c4ccccn4)n3)n2)cc1 ZINC000151064514 495728201 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COc1ccc([O-])c(C(=O)N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c1 ZINC000182888620 495743080 /nfs/dbraw/zinc/74/30/80/495743080.db2.gz UNJLQXVYTZCMFF-NSHDSACASA-N -1 3 369.343 3.093 20 0 FGADHM CCC(=O)N1CSC[C@H]1C(=O)Nc1cc(Cc2ccccc2)ccc1[O-] ZINC000179809983 495743688 /nfs/dbraw/zinc/74/36/88/495743688.db2.gz WPUJNXHBCWNJSP-KRWDZBQOSA-N -1 3 370.474 3.233 20 0 FGADHM Cc1cccc(O[C@@H](C)CNC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)c1 ZINC000154841823 495745436 /nfs/dbraw/zinc/74/54/36/495745436.db2.gz NBEPGCXVYSHPDH-AWEZNQCLSA-N -1 3 368.408 3.481 20 0 FGADHM CN(C)c1ccc(C(F)(F)F)cc1NC([O-])=NOCc1cccnc1 ZINC000182897435 495746472 /nfs/dbraw/zinc/74/64/72/495746472.db2.gz SWMYWUZEDZJISS-UHFFFAOYSA-N -1 3 354.332 3.420 20 0 FGADHM CN(C)c1ccc(C(F)(F)F)cc1NC(=O)[N-]OCc1cccnc1 ZINC000182897435 495746480 /nfs/dbraw/zinc/74/64/80/495746480.db2.gz SWMYWUZEDZJISS-UHFFFAOYSA-N -1 3 354.332 3.420 20 0 FGADHM CC(C)c1nnc(NC(=O)CCC(=O)Nc2cc(Cl)ccc2[O-])s1 ZINC000154854185 495750348 /nfs/dbraw/zinc/75/03/48/495750348.db2.gz 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O=C(CCCOc1ccc2c(c1)CCC2)Nc1cccc(-c2nn[n-]n2)c1 ZINC000160340748 495940315 /nfs/dbraw/zinc/94/03/15/495940315.db2.gz QVVPVQLXEVUVBQ-UHFFFAOYSA-N -1 3 363.421 3.153 20 0 FGADHM C[C@@H]1CCN(C(=O)C[C@@H](NC(N)=O)c2cccs2)c2c([O-])cccc21 ZINC000186314012 495943002 /nfs/dbraw/zinc/94/30/02/495943002.db2.gz JIWSHEAHYQRSTH-DGCLKSJQSA-N -1 3 359.451 3.094 20 0 FGADHM O=S(=O)([N-][C@H]1C[C@H](c2ccccc2)C1)c1cncc(Br)c1 ZINC000568950277 505815107 /nfs/dbraw/zinc/81/51/07/505815107.db2.gz ABYGLSFSFLVPIN-MQMHXKEQSA-N -1 3 367.268 3.069 20 0 FGADHM CN(C)CCOc1ccc(NC(=O)c2cc(F)c(F)c([O-])c2F)cc1 ZINC000183434631 495980962 /nfs/dbraw/zinc/98/09/62/495980962.db2.gz KXUGTJBUNSMRQQ-UHFFFAOYSA-N -1 3 354.328 3.002 20 0 FGADHM C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000183441645 495985245 /nfs/dbraw/zinc/98/52/45/495985245.db2.gz ZMAINAHCQNLIIB-ZETCQYMHSA-N -1 3 360.723 3.325 20 0 FGADHM C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000183441645 495985250 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CCCNC(=O)c1ccc([N-]S(=O)(=O)[C@@H]2C[C@H]2c2ccccc2)cc1 ZINC000568962126 505819319 /nfs/dbraw/zinc/81/93/19/505819319.db2.gz WKJFRLQHQOXAHG-ZWKOTPCHSA-N -1 3 358.463 3.124 20 0 FGADHM O=C(Cc1csc(NC(=O)c2cccc([O-])c2)n1)Nc1ccccc1F ZINC000177394697 496045163 /nfs/dbraw/zinc/04/51/63/496045163.db2.gz CZDKPHBRTWMHGN-UHFFFAOYSA-N -1 3 371.393 3.421 20 0 FGADHM Cn1cc(CCCNC(=O)c2cc(Oc3ccccc3)ccc2[O-])cn1 ZINC000177404510 496049655 /nfs/dbraw/zinc/04/96/55/496049655.db2.gz LCAPIRIGXDIXSU-UHFFFAOYSA-N -1 3 351.406 3.281 20 0 FGADHM CS(=O)(=O)[N-]c1cc(NC(=O)C2(Cc3ccccc3)CC2)ccc1F ZINC000177405675 496050678 /nfs/dbraw/zinc/05/06/78/496050678.db2.gz BTNWMUHUFHTHGQ-UHFFFAOYSA-N -1 3 362.426 3.159 20 0 FGADHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N(C)[C@@H](C)c1ccccc1 ZINC000174683832 496060969 /nfs/dbraw/zinc/06/09/69/496060969.db2.gz SLAQVNONROTLMV-ZDUSSCGKSA-N -1 3 374.462 3.391 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)[C@H]3COc4cc(C)c(C)cc43)[n-]c21 ZINC000186609413 496071025 /nfs/dbraw/zinc/07/10/25/496071025.db2.gz WYEVQBYPDSAZOK-AWEZNQCLSA-N -1 3 365.389 3.081 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@H]3COc4cc(C)c(C)cc43)nc21 ZINC000186609413 496071031 /nfs/dbraw/zinc/07/10/31/496071031.db2.gz WYEVQBYPDSAZOK-AWEZNQCLSA-N -1 3 365.389 3.081 20 0 FGADHM COc1cccc(C(=O)N[C@@H](c2noc(C)n2)c2ccc(Cl)cc2)c1[O-] ZINC000180622177 496072440 /nfs/dbraw/zinc/07/24/40/496072440.db2.gz DVJDEBREOQQENK-OAHLLOKOSA-N -1 3 373.796 3.265 20 0 FGADHM COc1cc(C(=O)N2CCC[C@@H](Nc3ccccc3)C2)cc(OC)c1[O-] ZINC000155835911 496082768 /nfs/dbraw/zinc/08/27/68/496082768.db2.gz PADUSCVVIHLZBV-MRXNPFEDSA-N -1 3 356.422 3.126 20 0 FGADHM Cc1cc(=O)[n-]c([C@@H](C)Sc2ncnc3c2cnn3-c2ccccc2)n1 ZINC000155849985 496087654 /nfs/dbraw/zinc/08/76/54/496087654.db2.gz UJMLRSPBUKVELO-GFCCVEGCSA-N -1 3 364.434 3.473 20 0 FGADHM O=C(Nc1ccc([O-])c(Cl)c1)[C@H](c1ccccc1)N1CCC(O)CC1 ZINC000183708912 496087635 /nfs/dbraw/zinc/08/76/35/496087635.db2.gz ZRNSFHCXRFFJLQ-SFHVURJKSA-N -1 3 360.841 3.182 20 0 FGADHM COC(=O)c1cc(S(=O)(=O)[N-]c2c(F)cc(Cl)cc2F)oc1C ZINC000180660634 496092748 /nfs/dbraw/zinc/09/27/48/496092748.db2.gz XMXXFVATKSPDKL-UHFFFAOYSA-N -1 3 365.741 3.107 20 0 FGADHM O=C(NCC1(Cc2ccccc2)CCC1)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000152245844 496093266 /nfs/dbraw/zinc/09/32/66/496093266.db2.gz BYIQRVYZELZOQB-UHFFFAOYSA-N -1 3 363.417 3.105 20 0 FGADHM O=S(=O)([N-][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)c1ccc(Cl)c(Cl)c1 ZINC000155889841 496098700 /nfs/dbraw/zinc/09/87/00/496098700.db2.gz BEZBHVTUWRNMJB-HONMWMINSA-N -1 3 362.278 3.229 20 0 FGADHM CC(C)OCCS(=O)(=O)[N-]c1ccc(-c2cn3ccsc3n2)cc1 ZINC000177539468 496103902 /nfs/dbraw/zinc/10/39/02/496103902.db2.gz NZKOMEWQORRHMU-UHFFFAOYSA-N -1 3 365.480 3.230 20 0 FGADHM C[C@H](C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)c1nccs1 ZINC000186681371 496104751 /nfs/dbraw/zinc/10/47/51/496104751.db2.gz JSMBXLCMLYZIMC-MRVPVSSYSA-N -1 3 368.377 3.383 20 0 FGADHM O=C(Cc1cncc([O-])c1)N1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000580725176 505823533 /nfs/dbraw/zinc/82/35/33/505823533.db2.gz PKNMPNAMSORRHW-KRWDZBQOSA-N -1 3 364.405 3.134 20 0 FGADHM O=C(Cc1coc2cc3c(cc12)CCC3)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000177555547 496109613 /nfs/dbraw/zinc/10/96/13/496109613.db2.gz OPZRZIBZDSUQMU-UHFFFAOYSA-N -1 3 373.416 3.207 20 0 FGADHM O=C(Cc1coc2cc3c(cc12)CCC3)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000177555547 496109615 /nfs/dbraw/zinc/10/96/15/496109615.db2.gz OPZRZIBZDSUQMU-UHFFFAOYSA-N -1 3 373.416 3.207 20 0 FGADHM COc1ccccc1Cc1nnc(S[C@@H](C)c2nc(C)cc(=O)[n-]2)o1 ZINC000155951287 496115787 /nfs/dbraw/zinc/11/57/87/496115787.db2.gz DDJBOJQZKWWCDT-NSHDSACASA-N -1 3 358.423 3.326 20 0 FGADHM COc1cc(F)c(Br)cc1S(=O)(=O)[N-]C1(C(C)C)CC1 ZINC000574651428 505824318 /nfs/dbraw/zinc/82/43/18/505824318.db2.gz MGKMIGZAINXRLC-UHFFFAOYSA-N -1 3 366.252 3.064 20 0 FGADHM O=S(=O)([N-]CC[C@@H]1CCCCO1)c1cc(C(F)(F)F)ccc1F ZINC000180768601 496138942 /nfs/dbraw/zinc/13/89/42/496138942.db2.gz RYZYIIVDOYDXHF-NSHDSACASA-N -1 3 355.353 3.082 20 0 FGADHM COC(=O)c1ccsc1[N-]C(=O)C(=O)N(C)[C@@H](c1ccccc1)C(C)C ZINC000174868025 496141306 /nfs/dbraw/zinc/14/13/06/496141306.db2.gz IBAUFBUEVPOHOE-OAHLLOKOSA-N -1 3 374.462 3.329 20 0 FGADHM Cc1ccc(C[C@@H](NC(=O)c2cc(=O)[n-]c(C3CC3)n2)c2ccccn2)cc1 ZINC000568996436 505826309 /nfs/dbraw/zinc/82/63/09/505826309.db2.gz ALFQWFBALYXAST-GOSISDBHSA-N -1 3 374.444 3.477 20 0 FGADHM CN(C(=O)c1cc(F)c([O-])c(F)c1)C1CCN(Cc2ccccc2)CC1 ZINC000186811498 496162563 /nfs/dbraw/zinc/16/25/63/496162563.db2.gz VYKHNZAKLFJORJ-UHFFFAOYSA-N -1 3 360.404 3.407 20 0 FGADHM COc1cc(C(=O)NC(C)(C)c2ccc(F)c(F)c2)cc(OC)c1[O-] ZINC000186854196 496182788 /nfs/dbraw/zinc/18/27/88/496182788.db2.gz MPEQDUDQIVTSDH-UHFFFAOYSA-N -1 3 351.349 3.353 20 0 FGADHM CCC1(NC(=O)Cc2csc(NC(=O)c3cc(C)ccc3[O-])n2)CCC1 ZINC000184000111 496194328 /nfs/dbraw/zinc/19/43/28/496194328.db2.gz HTRZQMPHYLMVRE-UHFFFAOYSA-N -1 3 373.478 3.401 20 0 FGADHM O=C(CSc1ccc(C(F)(F)F)cn1)NCc1ccc([O-])c(F)c1 ZINC000156286938 496206817 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O=C(N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)c1c[n-]nc1-c1ccccn1 ZINC000571870605 505833895 /nfs/dbraw/zinc/83/38/95/505833895.db2.gz VGORKFPNIQGQSW-SJLPKXTDSA-N -1 3 368.824 3.385 20 0 FGADHM CCc1ccc([C@@H](CO)[N-]S(=O)(=O)c2ccc(F)cc2Cl)cc1 ZINC000156543059 496273965 /nfs/dbraw/zinc/27/39/65/496273965.db2.gz DPOUZLLJGDAAET-OAHLLOKOSA-N -1 3 357.834 3.053 20 0 FGADHM CCCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CN(C)C(=O)N3)cc1 ZINC000187064464 496276926 /nfs/dbraw/zinc/27/69/26/496276926.db2.gz MUMRRVKDVQWJLV-UHFFFAOYSA-N -1 3 359.451 3.417 20 0 FGADHM COCCN(Cc1ccco1)C(=O)c1c[n-]c2c(C)cc(C)cc2c1=O ZINC000162007144 496278903 /nfs/dbraw/zinc/27/89/03/496278903.db2.gz RXEOUVFWLLMZJS-UHFFFAOYSA-N -1 3 354.406 3.439 20 0 FGADHM CCC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(OC)c(F)c2C)cc1 ZINC000181130603 496280248 /nfs/dbraw/zinc/28/02/48/496280248.db2.gz OJDYMNCUSIKCRI-UHFFFAOYSA-N -1 3 366.414 3.292 20 0 FGADHM CCN1CC[C@H]([NH2+]Cc2ncccc2[O-])[C@H]1c1cc(F)c(F)c(F)c1 ZINC000577986448 505834603 /nfs/dbraw/zinc/83/46/03/505834603.db2.gz CXMPZYMAQBGKHY-KBXCAEBGSA-N -1 3 351.372 3.130 20 0 FGADHM CCN1CC[C@H](NCc2ncccc2[O-])[C@H]1c1cc(F)c(F)c(F)c1 ZINC000577986448 505834607 /nfs/dbraw/zinc/83/46/07/505834607.db2.gz CXMPZYMAQBGKHY-KBXCAEBGSA-N -1 3 351.372 3.130 20 0 FGADHM CC(C)n1cnc(S(=O)(=O)[N-]CC2(Sc3ccccc3)CC2)c1 ZINC000152895956 496288439 /nfs/dbraw/zinc/28/84/39/496288439.db2.gz NPACAJNYJPRWGE-UHFFFAOYSA-N -1 3 351.497 3.067 20 0 FGADHM C[C@H](c1nc2ccccc2o1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000181155542 496289948 /nfs/dbraw/zinc/28/99/48/496289948.db2.gz PEQLDTHYEYDUQZ-CQSZACIVSA-N -1 3 351.406 3.052 20 0 FGADHM CN(C)c1cccc(NC([O-])=NOCc2ccc(C(F)(F)F)cc2)n1 ZINC000152919997 496297012 /nfs/dbraw/zinc/29/70/12/496297012.db2.gz VKVJVYIMYUCFCL-UHFFFAOYSA-N -1 3 354.332 3.420 20 0 FGADHM CN(C)c1cccc(NC(=O)[N-]OCc2ccc(C(F)(F)F)cc2)n1 ZINC000152919997 496297018 /nfs/dbraw/zinc/29/70/18/496297018.db2.gz VKVJVYIMYUCFCL-UHFFFAOYSA-N -1 3 354.332 3.420 20 0 FGADHM Cc1nnc(-c2ccc(C(=O)Nc3n[n-]c(-c4ccccc4F)n3)cc2)o1 ZINC000162124116 496300547 /nfs/dbraw/zinc/30/05/47/496300547.db2.gz PAFUWJRQQLWXGV-UHFFFAOYSA-N -1 3 364.340 3.222 20 0 FGADHM COc1ccc(NC(=O)NCc2ccc([O-])c(Br)c2)c(C)n1 ZINC000156704347 496314535 /nfs/dbraw/zinc/31/45/35/496314535.db2.gz FBAVEKPJRNRPRD-UHFFFAOYSA-N -1 3 366.215 3.188 20 0 FGADHM O=S(=O)(Cc1cc(-c2ccccc2Cl)on1)c1nc2c([n-]1)CCC2 ZINC000577997419 505837432 /nfs/dbraw/zinc/83/74/32/505837432.db2.gz WQQAXPXNGLGRAQ-UHFFFAOYSA-N -1 3 363.826 3.181 20 0 FGADHM Cc1ccc2c(c1)nc(C[N-]S(=O)(=O)c1ccc(Cl)cc1F)n2C ZINC000184355315 496349105 /nfs/dbraw/zinc/34/91/05/496349105.db2.gz QQQMWLHAYXQRML-UHFFFAOYSA-N -1 3 367.833 3.153 20 0 FGADHM CCOCCC1(C[N-]S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000156879474 496356029 /nfs/dbraw/zinc/35/60/29/496356029.db2.gz XIRNSJNTUPSZDA-UHFFFAOYSA-N -1 3 351.390 3.191 20 0 FGADHM COc1cc(C(=O)Nc2ccnn2CCc2ccccc2)cc(OC)c1[O-] ZINC000162594922 496380416 /nfs/dbraw/zinc/38/04/16/496380416.db2.gz MAFKXGOWTGEBCN-UHFFFAOYSA-N -1 3 367.405 3.101 20 0 FGADHM COc1ccc2c(c1)CN(C(=O)c1c[n-]c3c(C)cc(F)cc3c1=O)CC2 ZINC000172702209 496393131 /nfs/dbraw/zinc/39/31/31/496393131.db2.gz ULBOIFGYOKYZED-UHFFFAOYSA-N -1 3 366.392 3.183 20 0 FGADHM C[C@H]1Oc2ccc(NC(=O)c3cn[n-]c3-c3ccsc3)cc2NC1=O ZINC000187328198 496395324 /nfs/dbraw/zinc/39/53/24/496395324.db2.gz GLLYPUZMHXTBFG-SECBINFHSA-N -1 3 354.391 3.110 20 0 FGADHM C[C@H]1Oc2ccc(NC(=O)c3c[n-]nc3-c3ccsc3)cc2NC1=O ZINC000187328198 496395325 /nfs/dbraw/zinc/39/53/25/496395325.db2.gz GLLYPUZMHXTBFG-SECBINFHSA-N -1 3 354.391 3.110 20 0 FGADHM O=C(Cc1ccc(Br)cc1[O-])N1CCC[C@H]1[C@@H]1CCCOC1 ZINC000578015041 505841735 /nfs/dbraw/zinc/84/17/35/505841735.db2.gz DWERAYYTJSMVNC-HIFRSBDPSA-N -1 3 368.271 3.115 20 0 FGADHM COc1ccc(CCNC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)cc1F ZINC000178288592 496400416 /nfs/dbraw/zinc/40/04/16/496400416.db2.gz DROAXRQWNRUSQF-UHFFFAOYSA-N -1 3 372.371 3.096 20 0 FGADHM O=C([N-]c1nc2ccc(Cl)cn2n1)c1sccc1Br ZINC000157144192 496415197 /nfs/dbraw/zinc/41/51/97/496415197.db2.gz ZLIWNKVSKXUTFV-UHFFFAOYSA-N -1 3 357.620 3.459 20 0 FGADHM CCc1n[n-]c(S(=O)(=O)Cc2nc(-c3ccccc3Cl)cs2)n1 ZINC000187435977 496439990 /nfs/dbraw/zinc/43/99/90/496439990.db2.gz KIQBYWQKRRJFKR-UHFFFAOYSA-N -1 3 368.871 3.118 20 0 FGADHM CCc1nnc(S(=O)(=O)Cc2nc(-c3ccccc3Cl)cs2)[n-]1 ZINC000187435977 496439994 /nfs/dbraw/zinc/43/99/94/496439994.db2.gz KIQBYWQKRRJFKR-UHFFFAOYSA-N -1 3 368.871 3.118 20 0 FGADHM O=C([O-])[C@@H]1Cc2c(Br)cccc2CN1CCC1CCOCC1 ZINC000571931339 505848278 /nfs/dbraw/zinc/84/82/78/505848278.db2.gz SUYCXRVMYUMRLA-INIZCTEOSA-N -1 3 368.271 3.077 20 0 FGADHM Cc1cnc(C[N-]S(=O)(=O)c2ccc3nc(C(C)(C)C)sc3c2)o1 ZINC000175601963 496460050 /nfs/dbraw/zinc/46/00/50/496460050.db2.gz ZRHDIFQDSFPHEE-UHFFFAOYSA-N -1 3 365.480 3.369 20 0 FGADHM CCC[C@H](NC(=O)c1cccc([C@]2(C)NC(=O)[N-]C2=O)c1)c1ccccc1 ZINC000178449719 496461637 /nfs/dbraw/zinc/46/16/37/496461637.db2.gz KZJGTVOOGBUYMO-UWJYYQICSA-N -1 3 365.433 3.012 20 0 FGADHM Cc1cnc([C@@H](C)[N-]S(=O)(=O)c2ccc(Cl)nc2Cl)s1 ZINC000175622125 496469349 /nfs/dbraw/zinc/46/93/49/496469349.db2.gz MGOMYLFPRFQGRT-SSDOTTSWSA-N -1 3 352.268 3.193 20 0 FGADHM O=C([N-]c1n[nH]c(C2CCC2)n1)c1cnc(-c2ccc3c(c2)OCO3)s1 ZINC000184630553 496472046 /nfs/dbraw/zinc/47/20/46/496472046.db2.gz UZIADJRAPPXKFN-UHFFFAOYSA-N -1 3 369.406 3.177 20 0 FGADHM CS(=O)(=O)[N-]c1cc(C(=O)N2CCc3c2cccc3Cl)ccc1F ZINC000157468229 496481921 /nfs/dbraw/zinc/48/19/21/496481921.db2.gz JMKIKEJOVZTISX-UHFFFAOYSA-N -1 3 368.817 3.054 20 0 FGADHM O=C(N[C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000578041874 505848103 /nfs/dbraw/zinc/84/81/03/505848103.db2.gz JHSYEPYKOXLVQJ-IUODEOHRSA-N -1 3 368.820 3.290 20 0 FGADHM Cc1ccc([O-])c(C(=O)N2CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c1 ZINC000163476496 496519731 /nfs/dbraw/zinc/51/97/31/496519731.db2.gz UYDHTNSDNOIVDX-LSDHHAIUSA-N -1 3 362.470 3.466 20 0 FGADHM Cc1cccc2c(=O)c(C(=O)N(C)Cc3nc4ccccc4n3C)c[n-]c12 ZINC000163473278 496520025 /nfs/dbraw/zinc/52/00/25/496520025.db2.gz LODDPMPGXJDFAZ-UHFFFAOYSA-N -1 3 360.417 3.408 20 0 FGADHM O=S(=O)([N-]C1CCN(c2ccccc2)CC1)c1cc(F)c(F)c(F)c1 ZINC000173058287 496536888 /nfs/dbraw/zinc/53/68/88/496536888.db2.gz JYNSQQGECOJJFF-UHFFFAOYSA-N -1 3 370.396 3.051 20 0 FGADHM CC(C)OCCC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000175768692 496537090 /nfs/dbraw/zinc/53/70/90/496537090.db2.gz QBEZGVRKMYJCRF-UHFFFAOYSA-N -1 3 368.861 3.038 20 0 FGADHM CO[C@H]1CN(C(=O)c2cc(OCc3ccccc3)ccc2[O-])CC[C@@H]1C ZINC000187696738 496538645 /nfs/dbraw/zinc/53/86/45/496538645.db2.gz XPERCHGKYHFWRD-YWZLYKJASA-N -1 3 355.434 3.468 20 0 FGADHM CC[C@](C)([N-]S(=O)(=O)Cc1c(F)cccc1F)c1nc(C)cs1 ZINC000163669259 496544774 /nfs/dbraw/zinc/54/47/74/496544774.db2.gz RTUKHPZBNJISAW-HNNXBMFYSA-N -1 3 360.451 3.475 20 0 FGADHM CC(=O)[C@H](C)CCCCC(=O)Nc1cccc(-c2nc(C)cc(=O)[n-]2)c1 ZINC000153685830 496545871 /nfs/dbraw/zinc/54/58/71/496545871.db2.gz DDKXERCAACWEEZ-CYBMUJFWSA-N -1 3 355.438 3.469 20 0 FGADHM CN(Cc1ccccc1N1CCCC1)C(=O)NCc1ccc([O-])c(F)c1 ZINC000163691415 496547360 /nfs/dbraw/zinc/54/73/60/496547360.db2.gz QLEZXVYFAVGFAQ-UHFFFAOYSA-N -1 3 357.429 3.473 20 0 FGADHM COC(=O)[C@@H]([N-]S(=O)(=O)Cc1ccccc1)c1ccc2ccccc2c1 ZINC000181816667 496556861 /nfs/dbraw/zinc/55/68/61/496556861.db2.gz QKHAGBBUFMUOGK-IBGZPJMESA-N -1 3 369.442 3.174 20 0 FGADHM COc1cc(C(=O)N[C@H](C)c2cccc(-n3cccn3)c2)cc(OC)c1[O-] ZINC000163821963 496561644 /nfs/dbraw/zinc/56/16/44/496561644.db2.gz CJCWDPACXJQBMW-CYBMUJFWSA-N -1 3 367.405 3.086 20 0 FGADHM O=C(Cc1ccc([O-])cc1Cl)Nc1ccc(C(=O)N2CCCC2)cc1 ZINC000181831816 496564983 /nfs/dbraw/zinc/56/49/83/496564983.db2.gz FCBNFKSOWQUEBN-UHFFFAOYSA-N -1 3 358.825 3.463 20 0 FGADHM CCS(=O)(=O)c1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2[O-])c1 ZINC000153820362 496591134 /nfs/dbraw/zinc/59/11/34/496591134.db2.gz USAWHSHXKALVHY-UHFFFAOYSA-N -1 3 373.352 3.457 20 0 FGADHM O=C(Cc1ccc([O-])cc1Cl)N[C@H](CN1CCCC1=O)c1ccccc1 ZINC000153829642 496593436 /nfs/dbraw/zinc/59/34/36/496593436.db2.gz OBUDPJNLYXOVIG-GOSISDBHSA-N -1 3 372.852 3.068 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CN3CCCCC3)c2)cc1 ZINC000153842228 496597987 /nfs/dbraw/zinc/59/79/87/496597987.db2.gz OZMWJKGLRVMNLE-UHFFFAOYSA-N -1 3 360.479 3.482 20 0 FGADHM C[C@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)c1cccc2[n-]nnc21 ZINC000187876543 496605166 /nfs/dbraw/zinc/60/51/66/496605166.db2.gz LGZNAYBRXMIWDB-MEDUHNTESA-N -1 3 356.813 3.214 20 0 FGADHM C[C@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)c1cccc2nn[n-]c21 ZINC000187876543 496605171 /nfs/dbraw/zinc/60/51/71/496605171.db2.gz LGZNAYBRXMIWDB-MEDUHNTESA-N -1 3 356.813 3.214 20 0 FGADHM C[C@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)c1cccc2n[n-]nc21 ZINC000187876543 496605174 /nfs/dbraw/zinc/60/51/74/496605174.db2.gz LGZNAYBRXMIWDB-MEDUHNTESA-N -1 3 356.813 3.214 20 0 FGADHM Cc1cc(F)ccc1C(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000178891438 496607309 /nfs/dbraw/zinc/60/73/09/496607309.db2.gz GYPNFVOEUSKFSV-UHFFFAOYSA-N -1 3 356.397 3.331 20 0 FGADHM CCOC(=O)c1ccc(C[N-]c2nnc([C@H]3Cc4ccccc4O3)o2)o1 ZINC000187899620 496613238 /nfs/dbraw/zinc/61/32/38/496613238.db2.gz FHYGVJNSXYGEJQ-OAHLLOKOSA-N -1 3 355.350 3.128 20 0 FGADHM Cc1cccc2c(=O)c(C(=O)N(C)Cc3ccc([S@@](C)=O)cc3)c[n-]c12 ZINC000164534918 496618222 /nfs/dbraw/zinc/61/82/22/496618222.db2.gz XDGCPQDJBHLFKT-SANMLTNESA-N -1 3 368.458 3.258 20 0 FGADHM CC1(C)CCCC[C@@H]1CC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000178944217 496624197 /nfs/dbraw/zinc/62/41/97/496624197.db2.gz ZGUCRVORWONNGG-MRXNPFEDSA-N -1 3 358.482 3.283 20 0 FGADHM COC(=O)Cc1n[n-]c(NC(=O)c2ccc(-c3cccc(C(C)C)c3)o2)n1 ZINC000182039178 496645763 /nfs/dbraw/zinc/64/57/63/496645763.db2.gz NLUDIWAYUBEDHR-UHFFFAOYSA-N -1 3 368.393 3.156 20 0 FGADHM COC(=O)Cc1nnc(NC(=O)c2ccc(-c3cccc(C(C)C)c3)o2)[n-]1 ZINC000182039178 496645767 /nfs/dbraw/zinc/64/57/67/496645767.db2.gz NLUDIWAYUBEDHR-UHFFFAOYSA-N -1 3 368.393 3.156 20 0 FGADHM COC(=O)Cc1nc(NC(=O)c2ccc(-c3cccc(C(C)C)c3)o2)n[n-]1 ZINC000182039178 496645774 /nfs/dbraw/zinc/64/57/74/496645774.db2.gz NLUDIWAYUBEDHR-UHFFFAOYSA-N -1 3 368.393 3.156 20 0 FGADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]Cc1ccc2c(c1)CCO2 ZINC000574795215 505857325 /nfs/dbraw/zinc/85/73/25/505857325.db2.gz BYZWJGBUPWSEAY-UHFFFAOYSA-N -1 3 361.394 3.294 20 0 FGADHM O=C(Nc1ccc2ncccc2c1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000182060648 496654955 /nfs/dbraw/zinc/65/49/55/496654955.db2.gz FLKVOERIMVTMKE-SFHVURJKSA-N -1 3 361.401 3.184 20 0 FGADHM Cn1ccnc1-c1cc(NC(=O)c2cc(Oc3ccccc3)ccn2)n[n-]1 ZINC000179052554 496659261 /nfs/dbraw/zinc/65/92/61/496659261.db2.gz SAZQAFNOJBQHMV-UHFFFAOYSA-N -1 3 360.377 3.250 20 0 FGADHM Cn1ccnc1-c1cc(NC(=O)c2cc(Oc3ccccc3)ccn2)[n-]n1 ZINC000179052554 496659269 /nfs/dbraw/zinc/65/92/69/496659269.db2.gz SAZQAFNOJBQHMV-UHFFFAOYSA-N -1 3 360.377 3.250 20 0 FGADHM O=C1CCCc2ccc(S(=O)(=O)[N-]c3ccc(-n4ccnc4)cc3)cc21 ZINC000574798580 505858034 /nfs/dbraw/zinc/85/80/34/505858034.db2.gz RZEYSSQHWKMLMN-UHFFFAOYSA-N -1 3 367.430 3.192 20 0 FGADHM O=S(=O)([N-][C@@H]1CCO[C@@H](c2cccs2)C1)c1ccc(F)cc1F ZINC000571983193 505861914 /nfs/dbraw/zinc/86/19/14/505861914.db2.gz BKPFMJNLCQYRKV-DGCLKSJQSA-N -1 3 359.419 3.225 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]c2ccc(O[C@@H]3CCOC3)cc2)ccc1F ZINC000158272881 496665856 /nfs/dbraw/zinc/66/58/56/496665856.db2.gz JTJYVALPBVKOTE-OAHLLOKOSA-N -1 3 351.399 3.103 20 0 FGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc(OC(F)F)c(F)c1 ZINC000176062426 496666683 /nfs/dbraw/zinc/66/66/83/496666683.db2.gz XJLKRIHCMMQBGJ-UHFFFAOYSA-N -1 3 369.343 3.369 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]Cc2nc3ccccc3n2C2CC2)c(F)c1 ZINC000185119914 496668284 /nfs/dbraw/zinc/66/82/84/496668284.db2.gz ZEQNRYQAGKVTQY-UHFFFAOYSA-N -1 3 359.426 3.297 20 0 FGADHM O=C(Nc1ccc(Cl)c(F)c1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000182094402 496668407 /nfs/dbraw/zinc/66/84/07/496668407.db2.gz FLRPIQOBCFEVAQ-HNNXBMFYSA-N -1 3 362.788 3.428 20 0 FGADHM O=C(N1CCc2nc[n-]c(=O)c2C1)C1(c2ccc(Cl)cc2)CCCCC1 ZINC000179092585 496671885 /nfs/dbraw/zinc/67/18/85/496671885.db2.gz IDXOIWGFUOJVFJ-UHFFFAOYSA-N -1 3 371.868 3.210 20 0 FGADHM Cc1ccc(F)c(S(=O)(=O)[N-]C(C)(C)c2nc3ccccc3n2C)c1 ZINC000185129715 496672921 /nfs/dbraw/zinc/67/29/21/496672921.db2.gz RCAJGOKCBLZCIS-UHFFFAOYSA-N -1 3 361.442 3.234 20 0 FGADHM COc1cc(NC(=O)c2ccc3c(c2[O-])CCCC3)ccc1NC(C)=O ZINC000185127247 496673115 /nfs/dbraw/zinc/67/31/15/496673115.db2.gz OTTSNHGLTFLMJD-UHFFFAOYSA-N -1 3 354.406 3.490 20 0 FGADHM Cc1cc(S(=O)(=O)[N-][C@H]2CCO[C@]3(CCSC3)C2)sc1Cl ZINC000188118268 496690083 /nfs/dbraw/zinc/69/00/83/496690083.db2.gz IXJWYBYVNSUBDJ-GXFFZTMASA-N -1 3 367.945 3.043 20 0 FGADHM C[C@@H]1CCCCN1CCNC(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000188132196 496695600 /nfs/dbraw/zinc/69/56/00/496695600.db2.gz TUHXBEFKTLZCFZ-MRXNPFEDSA-N -1 3 366.461 3.227 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)C[C@@H]3CCOc4ccccc43)[n-]c21 ZINC000158423471 496699002 /nfs/dbraw/zinc/69/90/02/496699002.db2.gz RKVCDNOYBNZAPM-LBPRGKRZSA-N -1 3 365.389 3.244 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)C[C@@H]3CCOc4ccccc43)nc21 ZINC000158423471 496699005 /nfs/dbraw/zinc/69/90/05/496699005.db2.gz RKVCDNOYBNZAPM-LBPRGKRZSA-N -1 3 365.389 3.244 20 0 FGADHM COc1ccc(Oc2ccc(NC(=O)c3cccc4nn[n-]c43)cn2)cc1 ZINC000188147907 496701202 /nfs/dbraw/zinc/70/12/02/496701202.db2.gz VUTFPAUGJKTGQD-UHFFFAOYSA-N -1 3 361.361 3.406 20 0 FGADHM COc1ccc(Oc2ccc(NC(=O)c3cccc4[n-]nnc43)cn2)cc1 ZINC000188147907 496701207 /nfs/dbraw/zinc/70/12/07/496701207.db2.gz VUTFPAUGJKTGQD-UHFFFAOYSA-N -1 3 361.361 3.406 20 0 FGADHM COc1ccc(Oc2ccc(NC(=O)c3cccc4n[n-]nc43)cn2)cc1 ZINC000188147907 496701210 /nfs/dbraw/zinc/70/12/10/496701210.db2.gz VUTFPAUGJKTGQD-UHFFFAOYSA-N -1 3 361.361 3.406 20 0 FGADHM C=Cc1ccc(C(=O)Nc2ccc([N-]S(=O)(=O)CC)c(OC)c2)cc1 ZINC000185258012 496719459 /nfs/dbraw/zinc/71/94/59/496719459.db2.gz AGXLRBHCDHXCTH-UHFFFAOYSA-N -1 3 360.435 3.352 20 0 FGADHM O=C(c1cccc([O-])c1)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000182271066 496724305 /nfs/dbraw/zinc/72/43/05/496724305.db2.gz SMHNVEHMCVRMMA-MRXNPFEDSA-N -1 3 362.223 3.368 20 0 FGADHM Cc1ccc(NC(=O)NC[C@H]2CCCN(C(=O)c3cccc([O-])c3)C2)cc1 ZINC000182298051 496727777 /nfs/dbraw/zinc/72/77/77/496727777.db2.gz PHBUCCLVDRCIHL-MRXNPFEDSA-N -1 3 367.449 3.375 20 0 FGADHM O=C(Nc1ccccc1OC[C@@H]1CCCCO1)c1cc(F)cc2[n-]nnc21 ZINC000277320784 496735665 /nfs/dbraw/zinc/73/56/65/496735665.db2.gz CEVIMPCUBQVLSB-ZDUSSCGKSA-N -1 3 370.384 3.297 20 0 FGADHM O=C(Nc1ccccc1OC[C@@H]1CCCCO1)c1cc(F)cc2nn[n-]c21 ZINC000277320784 496735670 /nfs/dbraw/zinc/73/56/70/496735670.db2.gz CEVIMPCUBQVLSB-ZDUSSCGKSA-N -1 3 370.384 3.297 20 0 FGADHM O=C(Nc1ccccc1OC[C@@H]1CCCCO1)c1cc(F)cc2n[n-]nc21 ZINC000277320784 496735676 /nfs/dbraw/zinc/73/56/76/496735676.db2.gz CEVIMPCUBQVLSB-ZDUSSCGKSA-N -1 3 370.384 3.297 20 0 FGADHM Cc1onc(-c2ccncc2)c1C(=O)[N-]c1ncn(C2CCCCC2)n1 ZINC000273234466 496747590 /nfs/dbraw/zinc/74/75/90/496747590.db2.gz VOMAPORHCRHVPH-UHFFFAOYSA-N -1 3 352.398 3.394 20 0 FGADHM Cc1cccc(CN(Cc2cccc(C)n2)C(=O)c2cccc3[n-]nnc32)n1 ZINC000188321752 496752686 /nfs/dbraw/zinc/75/26/86/496752686.db2.gz DPDXPBOVKWLRHS-UHFFFAOYSA-N -1 3 372.432 3.207 20 0 FGADHM Cc1cccc(CN(Cc2cccc(C)n2)C(=O)c2cccc3nn[n-]c32)n1 ZINC000188321752 496752693 /nfs/dbraw/zinc/75/26/93/496752693.db2.gz DPDXPBOVKWLRHS-UHFFFAOYSA-N -1 3 372.432 3.207 20 0 FGADHM Cc1cccc(CN(Cc2cccc(C)n2)C(=O)c2cccc3n[n-]nc32)n1 ZINC000188321752 496752700 /nfs/dbraw/zinc/75/27/00/496752700.db2.gz DPDXPBOVKWLRHS-UHFFFAOYSA-N -1 3 372.432 3.207 20 0 FGADHM CCOc1cc(CN[C@@H](CC(=O)[O-])c2cccc(OC)c2)ccc1OC ZINC000277409361 496763786 /nfs/dbraw/zinc/76/37/86/496763786.db2.gz SHYCCJZDFYBQRO-KRWDZBQOSA-N -1 3 359.422 3.408 20 0 FGADHM O=C(CCCCNC(=O)OCc1ccccc1)NCc1ccc([O-])c(F)c1 ZINC000268715515 496765172 /nfs/dbraw/zinc/76/51/72/496765172.db2.gz XYRUPFJRSGGVDN-UHFFFAOYSA-N -1 3 374.412 3.244 20 0 FGADHM COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)c1 ZINC000188414878 496782204 /nfs/dbraw/zinc/78/22/04/496782204.db2.gz TYAJZMTWPPIZRA-GXTWGEPZSA-N -1 3 368.393 3.133 20 0 FGADHM COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)c1 ZINC000188414878 496782209 /nfs/dbraw/zinc/78/22/09/496782209.db2.gz TYAJZMTWPPIZRA-GXTWGEPZSA-N -1 3 368.393 3.133 20 0 FGADHM COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)c1 ZINC000188414878 496782212 /nfs/dbraw/zinc/78/22/12/496782212.db2.gz TYAJZMTWPPIZRA-GXTWGEPZSA-N -1 3 368.393 3.133 20 0 FGADHM O=S(=O)([N-][C@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1ccc(F)cc1F ZINC000273377074 496787261 /nfs/dbraw/zinc/78/72/61/496787261.db2.gz AAIAICQBVNZBMW-GOEBONIOSA-N -1 3 371.380 3.303 20 0 FGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)C1CCC(C(F)(F)F)CC1 ZINC000277512488 496798116 /nfs/dbraw/zinc/79/81/16/496798116.db2.gz BSYITXUAHCRRPF-UHFFFAOYSA-N -1 3 364.389 3.365 20 0 FGADHM O=S(=O)([N-][C@@H]1CCOC2(CCC2)C1)c1cccc(Cl)c1Cl ZINC000268962625 496837336 /nfs/dbraw/zinc/83/73/36/496837336.db2.gz JAQFIELCQWZOGO-SNVBAGLBSA-N -1 3 350.267 3.373 20 0 FGADHM COc1ccccc1-c1nnc(S[C@H](C)c2nc(C)cc(=O)[n-]2)n1C ZINC000269013490 496849143 /nfs/dbraw/zinc/84/91/43/496849143.db2.gz HVNFQCGTEVMRKD-LLVKDONJSA-N -1 3 357.439 3.148 20 0 FGADHM CC(C)c1ccc(NC(=O)c2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)cc1 ZINC000269071014 496863925 /nfs/dbraw/zinc/86/39/25/496863925.db2.gz FSMGIHHLVFWQNA-FQEVSTJZSA-N -1 3 351.406 3.117 20 0 FGADHM O=C(CCCc1ccc([O-])c(F)c1)NCC[C@H]1C(=O)Nc2ccc(F)cc21 ZINC000578142955 505871416 /nfs/dbraw/zinc/87/14/16/505871416.db2.gz ZTJYVFIUKDADQY-CQSZACIVSA-N -1 3 374.387 3.235 20 0 FGADHM CCOCCCc1nc(Cc2nc(=O)c3c(C4CC4)csc3[n-]2)no1 ZINC000273709280 496881216 /nfs/dbraw/zinc/88/12/16/496881216.db2.gz HSTGERLPMDFKBD-UHFFFAOYSA-N -1 3 360.439 3.217 20 0 FGADHM CCC(CC)c1cc(C[N-]S(=O)(=O)c2cc(C)ccc2OC)on1 ZINC000195305821 496883641 /nfs/dbraw/zinc/88/36/41/496883641.db2.gz SVLUQSVTLTZSHX-UHFFFAOYSA-N -1 3 352.456 3.374 20 0 FGADHM O=C(c1cc(F)cc2[n-]nnc21)N1CC[C@@H](CSc2ccccc2)C1 ZINC000277814780 496897615 /nfs/dbraw/zinc/89/76/15/496897615.db2.gz WRFSDQIJQISQGP-GFCCVEGCSA-N -1 3 356.426 3.351 20 0 FGADHM O=C(c1cc(F)cc2nn[n-]c21)N1CC[C@@H](CSc2ccccc2)C1 ZINC000277814780 496897619 /nfs/dbraw/zinc/89/76/19/496897619.db2.gz WRFSDQIJQISQGP-GFCCVEGCSA-N -1 3 356.426 3.351 20 0 FGADHM O=C(c1cc(F)cc2n[n-]nc21)N1CC[C@@H](CSc2ccccc2)C1 ZINC000277814780 496897624 /nfs/dbraw/zinc/89/76/24/496897624.db2.gz WRFSDQIJQISQGP-GFCCVEGCSA-N -1 3 356.426 3.351 20 0 FGADHM C[C@@H]1COCC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000277839599 496905639 /nfs/dbraw/zinc/90/56/39/496905639.db2.gz LUVOAJGTRWBCEF-LDYMZIIASA-N -1 3 357.781 3.062 20 0 FGADHM COc1ccc(CN(C)CCc2ccncc2)c(Br)c1[O-] ZINC000273780762 496906088 /nfs/dbraw/zinc/90/60/88/496906088.db2.gz SNFKFYVRKRKQDV-UHFFFAOYSA-N -1 3 351.244 3.233 20 0 FGADHM COc1cc(C)cc(C(=O)Nc2ccc(NC(=O)[C@@H]3CCCO3)cc2)c1[O-] ZINC000264469548 496907504 /nfs/dbraw/zinc/90/75/04/496907504.db2.gz XFJANVJNTDJZRE-INIZCTEOSA-N -1 3 370.405 3.079 20 0 FGADHM COCCc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(F)F)cc1 ZINC000191886681 496920650 /nfs/dbraw/zinc/92/06/50/496920650.db2.gz JSTRRBUVDOMGDD-UHFFFAOYSA-N -1 3 371.405 3.320 20 0 FGADHM O=C(NCc1cc2cc(Br)ccc2[nH]1)c1cccc2nn[n-]c21 ZINC000188856222 496929091 /nfs/dbraw/zinc/92/90/91/496929091.db2.gz JWNCYYKWHHONRB-UHFFFAOYSA-N -1 3 370.210 3.132 20 0 FGADHM O=C(NCc1cc2cc(Br)ccc2[nH]1)c1cccc2[n-]nnc21 ZINC000188856222 496929094 /nfs/dbraw/zinc/92/90/94/496929094.db2.gz JWNCYYKWHHONRB-UHFFFAOYSA-N -1 3 370.210 3.132 20 0 FGADHM O=C(NCc1cc2cc(Br)ccc2[nH]1)c1cccc2n[n-]nc21 ZINC000188856222 496929099 /nfs/dbraw/zinc/92/90/99/496929099.db2.gz JWNCYYKWHHONRB-UHFFFAOYSA-N -1 3 370.210 3.132 20 0 FGADHM CCc1nc(CC[N-]S(=O)(=O)c2cc(C)c(Cl)s2)cs1 ZINC000191924747 496932661 /nfs/dbraw/zinc/93/26/61/496932661.db2.gz RJEJUJBTGGEARO-UHFFFAOYSA-N -1 3 350.918 3.250 20 0 FGADHM Cc1c(C(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)cnn1C(C)(C)C ZINC000195488838 496937762 /nfs/dbraw/zinc/93/77/62/496937762.db2.gz DNSGBWIJOOTLGP-UHFFFAOYSA-N -1 3 365.437 3.258 20 0 FGADHM COc1cccc([C@H](C)C(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)c1 ZINC000195488650 496937926 /nfs/dbraw/zinc/93/79/26/496937926.db2.gz AZJRHAMWXFFNLH-AWEZNQCLSA-N -1 3 363.417 3.496 20 0 FGADHM O=c1[nH]c(CC(F)(F)F)c([O-])n1-c1ccc(Cl)c(Br)c1 ZINC000277924627 496938361 /nfs/dbraw/zinc/93/83/61/496938361.db2.gz BFACVWWTGXCFHL-QMMMGPOBSA-N -1 3 371.540 3.480 20 0 FGADHM CCCCc1nc(C(=O)OCC)c(NC(=O)[C@@H]2CCO[C@H](CCC)C2)[n-]1 ZINC000191964046 496947022 /nfs/dbraw/zinc/94/70/22/496947022.db2.gz RMSWRGGSSSDMAR-ZIAGYGMSSA-N -1 3 365.474 3.463 20 0 FGADHM CCCCc1nc(NC(=O)[C@@H]2CCO[C@H](CCC)C2)c(C(=O)OCC)[n-]1 ZINC000191964046 496947024 /nfs/dbraw/zinc/94/70/24/496947024.db2.gz RMSWRGGSSSDMAR-ZIAGYGMSSA-N -1 3 365.474 3.463 20 0 FGADHM CCCCc1nc(C(=O)OCC)c(NC(=O)[C@H]2CCO[C@H](CC)C2)[n-]1 ZINC000191963719 496947187 /nfs/dbraw/zinc/94/71/87/496947187.db2.gz LQTZLWQCUIJTRQ-QWHCGFSZSA-N -1 3 351.447 3.073 20 0 FGADHM CCCCc1nc(NC(=O)[C@H]2CCO[C@H](CC)C2)c(C(=O)OCC)[n-]1 ZINC000191963719 496947192 /nfs/dbraw/zinc/94/71/92/496947192.db2.gz LQTZLWQCUIJTRQ-QWHCGFSZSA-N -1 3 351.447 3.073 20 0 FGADHM CCCCCN(Cc1ccc(Cl)cc1)C(=O)C(=O)[N-]c1cnns1 ZINC000191984651 496953481 /nfs/dbraw/zinc/95/34/81/496953481.db2.gz XKPWUSHCMOKAPW-UHFFFAOYSA-N -1 3 366.874 3.349 20 0 FGADHM O=C(CCc1nc(-c2ccc([O-])cc2)no1)N1CCc2sccc2C1 ZINC000264662632 496956766 /nfs/dbraw/zinc/95/67/66/496956766.db2.gz UZKREEOTCTZRSN-UHFFFAOYSA-N -1 3 355.419 3.021 20 0 FGADHM CCOc1cc(CN2CCC(COC)CC2)cc(Br)c1[O-] ZINC000211246911 496975834 /nfs/dbraw/zinc/97/58/34/496975834.db2.gz WDXRJXRUSQTIDD-UHFFFAOYSA-N -1 3 358.276 3.412 20 0 FGADHM COc1ccc2cc([C@H](C)C(=O)N3CCc4nc[n-]c(=O)c4C3)ccc2c1 ZINC000269673782 496986701 /nfs/dbraw/zinc/98/67/01/496986701.db2.gz JAJFHVIJBZBLDP-ZDUSSCGKSA-N -1 3 363.417 3.032 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)[C@@H](c1ccccc1)N(C)C ZINC000189036539 496987341 /nfs/dbraw/zinc/98/73/41/496987341.db2.gz MKEMLNWMNZAWHI-DIFFPNOSSA-N -1 3 372.412 3.074 20 0 FGADHM CCC1(CC)Oc2ccc(-n3c([O-])c(CC(F)(F)F)[nH]c3=O)cc2O1 ZINC000278067266 496991549 /nfs/dbraw/zinc/99/15/49/496991549.db2.gz JFUGHLQYEUYXTQ-SNVBAGLBSA-N -1 3 358.316 3.351 20 0 FGADHM Cc1cc(OCc2ccccc2)ccc1NC(=O)C(=O)[N-]c1cnns1 ZINC000192090441 496992460 /nfs/dbraw/zinc/99/24/60/496992460.db2.gz PCLTXJXHRVFAFM-UHFFFAOYSA-N -1 3 368.418 3.003 20 0 FGADHM Cc1cccc(COc2cccc(NC(=O)C(=O)[N-]c3cnns3)c2)c1 ZINC000192088886 496992475 /nfs/dbraw/zinc/99/24/75/496992475.db2.gz QBUHVZHYMJOXMV-UHFFFAOYSA-N -1 3 368.418 3.003 20 0 FGADHM Cc1cc(Cl)cc2cc(-c3noc([C@H](C)[N-]S(C)(=O)=O)n3)oc21 ZINC000278071487 496993744 /nfs/dbraw/zinc/99/37/44/496993744.db2.gz WRHMSTFZRFWORM-QMMMGPOBSA-N -1 3 355.803 3.055 20 0 FGADHM Cc1ccc([C@@H](O)C[N-]S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)o1 ZINC000269837244 497010403 /nfs/dbraw/zinc/01/04/03/497010403.db2.gz YDUPRKSRTDMWJE-ZDUSSCGKSA-N -1 3 364.250 3.048 20 0 FGADHM O=C1C[C@@H](c2noc(-c3cc4c(cc3[O-])CCCC4)n2)CN1CC1CC1 ZINC000274102450 497016441 /nfs/dbraw/zinc/01/64/41/497016441.db2.gz YQVZEGZNFOWUFV-OAHLLOKOSA-N -1 3 353.422 3.047 20 0 FGADHM O=S(=O)([N-][C@H]1CCO[C@@H](c2ccccc2)C1)c1cc(F)c(F)c(F)c1 ZINC000274141263 497026041 /nfs/dbraw/zinc/02/60/41/497026041.db2.gz CBUGLTBQTXNSLG-BLLLJJGKSA-N -1 3 371.380 3.303 20 0 FGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)NCCC1=CCCC1 ZINC000270000001 497039024 /nfs/dbraw/zinc/03/90/24/497039024.db2.gz WHOZLFSBWAYVKL-UHFFFAOYSA-N -1 3 352.438 3.102 20 0 FGADHM C[C@@H]1CN(c2ccc(NC([O-])=NO[C@@H]3CCCCO3)cc2F)C[C@H](C)O1 ZINC000274216904 497043687 /nfs/dbraw/zinc/04/36/87/497043687.db2.gz PRKVHARGOQHFJR-IIYDPXPESA-N -1 3 367.421 3.019 20 0 FGADHM C[C@@H]1CN(c2ccc(NC(=O)[N-]O[C@@H]3CCCCO3)cc2F)C[C@H](C)O1 ZINC000274216904 497043691 /nfs/dbraw/zinc/04/36/91/497043691.db2.gz PRKVHARGOQHFJR-IIYDPXPESA-N -1 3 367.421 3.019 20 0 FGADHM CCOC(=O)c1c(C)c(C(=O)NC)sc1[N-]C(=O)c1ccoc1Cl ZINC000192262083 497052816 /nfs/dbraw/zinc/05/28/16/497052816.db2.gz OEDLVFPAFKMHKR-UHFFFAOYSA-N -1 3 370.814 3.092 20 0 FGADHM Cc1nc(-c2cccc(-n3c([O-])c(CC(F)(F)F)[nH]c3=O)c2)oc1C ZINC000278262489 497055423 /nfs/dbraw/zinc/05/54/23/497055423.db2.gz URGVLDVJVKWMMP-GFCCVEGCSA-N -1 3 353.300 3.336 20 0 FGADHM CCS[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000225359062 497060563 /nfs/dbraw/zinc/06/05/63/497060563.db2.gz UOORMYPLJDMSAL-IUCAKERBSA-N -1 3 370.359 3.463 20 0 FGADHM CN1CCO[C@@H]([C@@H](NCc2cc([O-])cc(F)c2)c2ccc(Cl)cc2)C1 ZINC000248623235 497061242 /nfs/dbraw/zinc/06/12/42/497061242.db2.gz BTEIPRJDNWSVGO-MOPGFXCFSA-N -1 3 364.848 3.346 20 0 FGADHM [O-]C(=NO[C@H]1CCCCO1)Nc1c(F)cc(F)cc1Br ZINC000192294892 497066272 /nfs/dbraw/zinc/06/62/72/497066272.db2.gz YBWARPBVFQRTSK-JTQLQIEISA-N -1 3 351.147 3.307 20 0 FGADHM O=C([N-]O[C@H]1CCCCO1)Nc1c(F)cc(F)cc1Br ZINC000192294892 497066278 /nfs/dbraw/zinc/06/62/78/497066278.db2.gz YBWARPBVFQRTSK-JTQLQIEISA-N -1 3 351.147 3.307 20 0 FGADHM O=S(=O)([N-]c1c(F)cccc1CO)c1ccc(CC(F)(F)F)cc1 ZINC000189316294 497078882 /nfs/dbraw/zinc/07/88/82/497078882.db2.gz HTNMRLKSUQYEMR-UHFFFAOYSA-N -1 3 363.332 3.224 20 0 FGADHM CC(C)OC(=O)C[C@H]1CCCN(C(=O)c2cc(=O)c3ccccc3[n-]2)C1 ZINC000274363626 497079509 /nfs/dbraw/zinc/07/95/09/497079509.db2.gz OCJCVPPCLROVJK-CQSZACIVSA-N -1 3 356.422 3.134 20 0 FGADHM O=S(=O)(C[C@H]1CCCO1)[N-]c1ccc(Br)c(Cl)c1 ZINC000227591545 497091013 /nfs/dbraw/zinc/09/10/13/497091013.db2.gz IXSWCHSLLPUJRR-SECBINFHSA-N -1 3 354.653 3.023 20 0 FGADHM COc1cc(N[C@@H]2CCCN([C@@H](C)c3nc(C)cc(=O)[n-]3)C2)cc(OC)c1 ZINC000248739846 497094138 /nfs/dbraw/zinc/09/41/38/497094138.db2.gz LWKOIQYLKBSPGH-LSDHHAIUSA-N -1 3 372.469 3.145 20 0 FGADHM CS(=O)(=O)Nc1ccc(NC(=O)c2cc([O-])ccc2C(F)(F)F)cc1 ZINC000192469392 497124089 /nfs/dbraw/zinc/12/40/89/497124089.db2.gz HJYCJOLZOABAKE-UHFFFAOYSA-N -1 3 374.340 3.035 20 0 FGADHM O=C(c1ccc(Cl)cc1C(F)(F)F)N1CCc2nc[n-]c(=O)c2C1 ZINC000274594012 497129234 /nfs/dbraw/zinc/12/92/34/497129234.db2.gz FWLDFZFCDLVGOG-UHFFFAOYSA-N -1 3 357.719 3.053 20 0 FGADHM O=C([N-]c1sccc1C(=O)NC1CC1)c1ncsc1C(F)(F)F ZINC000278504095 497137069 /nfs/dbraw/zinc/13/70/69/497137069.db2.gz ADRLXVZEYGGUNC-UHFFFAOYSA-N -1 3 361.370 3.368 20 0 FGADHM CCOC(=O)c1ccn(-c2cccc(CNCc3cc([O-])cc(F)c3)c2)n1 ZINC000574944076 505887494 /nfs/dbraw/zinc/88/74/94/505887494.db2.gz AUPCNCFSUCNOEH-UHFFFAOYSA-N -1 3 369.396 3.184 20 0 FGADHM COC(=O)CC1(CNC(=O)c2cc(=O)c3ccccc3[n-]2)CCCCC1 ZINC000274757548 497158463 /nfs/dbraw/zinc/15/84/63/497158463.db2.gz YBPBLQAMUUVULR-UHFFFAOYSA-N -1 3 356.422 3.184 20 0 FGADHM CC(C)COC(=O)Nc1cccc(NC([O-])=NO[C@H]2CCCCO2)c1 ZINC000274765278 497159359 /nfs/dbraw/zinc/15/93/59/497159359.db2.gz KYQQFJSPZBXEOE-HNNXBMFYSA-N -1 3 351.403 3.471 20 0 FGADHM CC(C)COC(=O)Nc1cccc(NC(=O)[N-]O[C@H]2CCCCO2)c1 ZINC000274765278 497159365 /nfs/dbraw/zinc/15/93/65/497159365.db2.gz KYQQFJSPZBXEOE-HNNXBMFYSA-N -1 3 351.403 3.471 20 0 FGADHM CC1(C)[C@H](NC(=O)c2ccc(C(=O)c3cccc([O-])c3)cc2)[C@H]2CCO[C@H]21 ZINC000249077877 497160217 /nfs/dbraw/zinc/16/02/17/497160217.db2.gz OYEHPIMMWNCKFB-MISYRCLQSA-N -1 3 365.429 3.167 20 0 FGADHM C[C@@H]1CCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])CC[S@]1=O ZINC000572096455 505888267 /nfs/dbraw/zinc/88/82/67/505888267.db2.gz IGWFUQALYPTLGB-AKJBCIBTSA-N -1 3 371.502 3.161 20 0 FGADHM Cc1ccc(C(=O)Nc2ccccc2)cc1NC([O-])=NOCC(C)(C)O ZINC000278600221 497163847 /nfs/dbraw/zinc/16/38/47/497163847.db2.gz LSLZRVDYYXHZIA-UHFFFAOYSA-N -1 3 357.410 3.071 20 0 FGADHM Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)[N-]OCC(C)(C)O ZINC000278600221 497163851 /nfs/dbraw/zinc/16/38/51/497163851.db2.gz LSLZRVDYYXHZIA-UHFFFAOYSA-N -1 3 357.410 3.071 20 0 FGADHM COc1cc(C(=O)N[C@@H](c2ccccc2)[C@H]2CCCO2)cc(OC)c1[O-] ZINC000270705751 497184661 /nfs/dbraw/zinc/18/46/61/497184661.db2.gz NEGPNWXRZRVROC-QAPCUYQASA-N -1 3 357.406 3.060 20 0 FGADHM C[C@@H]1CCCCN1C(=O)CSCc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000572104352 505890309 /nfs/dbraw/zinc/89/03/09/505890309.db2.gz QSSVRLYSPPKYON-CQSZACIVSA-N -1 3 357.479 3.483 20 0 FGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@@H](C)Cc1ccccc1C ZINC000189669572 497204674 /nfs/dbraw/zinc/20/46/74/497204674.db2.gz WUWRWLACNZABRK-ZDUSSCGKSA-N -1 3 367.492 3.061 20 0 FGADHM CCOc1cc(CN(C)Cc2cnn(C)c2C)cc(Br)c1[O-] ZINC000578222684 505891261 /nfs/dbraw/zinc/89/12/61/505891261.db2.gz WXRKMPBUEXUUTI-UHFFFAOYSA-N -1 3 368.275 3.227 20 0 FGADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)n1 ZINC000192770427 497210043 /nfs/dbraw/zinc/21/00/43/497210043.db2.gz PJKHHNLXKFDHSF-ZBFHGGJFSA-N -1 3 364.453 3.216 20 0 FGADHM O=C1CCCN1c1ccc(S(=O)(=O)[N-]c2ccsc2Cl)cc1 ZINC000189735728 497227541 /nfs/dbraw/zinc/22/75/41/497227541.db2.gz IGVMAVOWJGKOAX-UHFFFAOYSA-N -1 3 356.856 3.329 20 0 FGADHM CC1(C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccsc3Cl)cc21 ZINC000189742661 497229858 /nfs/dbraw/zinc/22/98/58/497229858.db2.gz COWDWUIUXXYBGL-UHFFFAOYSA-N -1 3 356.856 3.432 20 0 FGADHM C[C@H](C(=O)[O-])N1CCc2c(cccc2NC(=O)Nc2ccccc2F)C1 ZINC000237401266 497230828 /nfs/dbraw/zinc/23/08/28/497230828.db2.gz CUWYFKZEAIDHNK-GFCCVEGCSA-N -1 3 357.385 3.301 20 0 FGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)C1(Cc2ccccc2Cl)CC1 ZINC000189751385 497231790 /nfs/dbraw/zinc/23/17/90/497231790.db2.gz UOUXSNIWOHUUFE-UHFFFAOYSA-N -1 3 367.840 3.159 20 0 FGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)C1(Cc2ccccc2Cl)CC1 ZINC000189751385 497231794 /nfs/dbraw/zinc/23/17/94/497231794.db2.gz UOUXSNIWOHUUFE-UHFFFAOYSA-N -1 3 367.840 3.159 20 0 FGADHM [O-]C(=NO[C@H]1CCCCO1)Nc1cccc2c1CN(CC(F)(F)F)C2 ZINC000193022172 497278020 /nfs/dbraw/zinc/27/80/20/497278020.db2.gz AXMRMLFLNCIRJJ-AWEZNQCLSA-N -1 3 359.348 3.144 20 0 FGADHM O=C([N-]O[C@H]1CCCCO1)Nc1cccc2c1CN(CC(F)(F)F)C2 ZINC000193022172 497278024 /nfs/dbraw/zinc/27/80/24/497278024.db2.gz AXMRMLFLNCIRJJ-AWEZNQCLSA-N -1 3 359.348 3.144 20 0 FGADHM CC(C)c1ccc(C(=O)N2CCC[C@@H]2C(=O)NCc2ccco2)c([O-])c1 ZINC000271306738 497316240 /nfs/dbraw/zinc/31/62/40/497316240.db2.gz VROZYHDFEGAJCU-QGZVFWFLSA-N -1 3 356.422 3.030 20 0 FGADHM COc1cc(C(=O)N(Cc2c(F)cccc2F)C2CC2)cc(OC)c1[O-] ZINC000189998936 497319861 /nfs/dbraw/zinc/31/98/61/497319861.db2.gz 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O=C(Nc1ccc(COc2ccc(Br)cc2)cc1)c1cn[n-]n1 ZINC000194152978 497588535 /nfs/dbraw/zinc/58/85/35/497588535.db2.gz RCDZZNABEFMNPV-UHFFFAOYSA-N -1 3 373.210 3.399 20 0 FGADHM O=C(Nc1ccccc1[O-])C1CCN(C(=O)NCC2CCCCC2)CC1 ZINC000276516635 497590489 /nfs/dbraw/zinc/59/04/89/497590489.db2.gz KFQRZPPNVXKXSN-UHFFFAOYSA-N -1 3 359.470 3.333 20 0 FGADHM O=S(=O)([N-][C@@H]1CCC[C@H]2OCC[C@H]21)c1ccc(F)cc1C(F)(F)F ZINC000246002804 497594871 /nfs/dbraw/zinc/59/48/71/497594871.db2.gz JFJXXBAVUTYLEM-CYZMBNFOSA-N -1 3 367.364 3.080 20 0 FGADHM CC1(C)CN(Cc2nc(=O)c3cc(-c4ccccc4)sc3[n-]2)C[C@H]1O ZINC000279939019 497595598 /nfs/dbraw/zinc/59/55/98/497595598.db2.gz XDPSXLGWOKNKCU-OAHLLOKOSA-N -1 3 355.463 3.267 20 0 FGADHM COCC[C@H]([N-]S(=O)(=O)c1cc(C(C)=O)ccc1Cl)c1ccco1 ZINC000272473646 497639817 /nfs/dbraw/zinc/63/98/17/497639817.db2.gz XLFHFMQVAXIKRD-AWEZNQCLSA-N -1 3 371.842 3.192 20 0 FGADHM COc1cc(S(=O)(=O)[N-]c2c(C)cc(N(C)C)cc2C)ccc1F ZINC000190997091 497677294 /nfs/dbraw/zinc/67/72/94/497677294.db2.gz 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CC[C@@H]1CCC[C@H]1NC(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000268350400 497731073 /nfs/dbraw/zinc/73/10/73/497731073.db2.gz WIUDDPOCZWPPPB-GDBMZVCRSA-N -1 3 359.470 3.331 20 0 FGADHM CN(C)Cc1ccc(NC(=O)CSc2n[n-]c(=S)s2)cc1Cl ZINC000280393902 497739924 /nfs/dbraw/zinc/73/99/24/497739924.db2.gz ZWNRYGFBJUHTCG-UHFFFAOYSA-N -1 3 374.944 3.273 20 0 FGADHM O=S(=O)([N-]Cc1noc(-c2ccccc2)n1)c1cccc(Cl)c1F ZINC000194726883 497750493 /nfs/dbraw/zinc/75/04/93/497750493.db2.gz KMSWGNBONIUUMI-UHFFFAOYSA-N -1 3 367.789 3.008 20 0 FGADHM O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)c1cc(F)c(F)c([O-])c1F ZINC000194745613 497757162 /nfs/dbraw/zinc/75/71/62/497757162.db2.gz HQWVRPTYKDIPLE-ZDUSSCGKSA-N -1 3 364.367 3.061 20 0 FGADHM C[C@@H](CN(C)[C@@H](C)C(=O)Nc1ccc(Oc2ccccc2)cc1)C(=O)[O-] ZINC000263321929 497757830 /nfs/dbraw/zinc/75/78/30/497757830.db2.gz JTIHBSXOGPJJME-GJZGRUSLSA-N -1 3 356.422 3.458 20 0 FGADHM COc1cc(CN[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])cc(OC)c1OC ZINC000277169118 497763747 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/nfs/dbraw/zinc/11/97/32/498119732.db2.gz AIWDYYUOMCXBGS-UHFFFAOYSA-N -1 3 364.402 3.119 20 0 FGADHM O=S(=O)([N-]C[C@@H]1CCCC[C@H]1C(F)(F)F)c1cncc(Cl)c1 ZINC000330462952 498137280 /nfs/dbraw/zinc/13/72/80/498137280.db2.gz YWHTUCLXUPPVLU-JOYOIKCWSA-N -1 3 356.797 3.382 20 0 FGADHM Cc1oc(C(C)C)cc1C(=O)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000285596691 498141480 /nfs/dbraw/zinc/14/14/80/498141480.db2.gz IEDIPGMSJFZPDR-UHFFFAOYSA-N -1 3 356.422 3.015 20 0 FGADHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H](c2nccs2)C(F)(F)F)c1 ZINC000292776699 498143147 /nfs/dbraw/zinc/14/31/47/498143147.db2.gz KDZZCXWBLPGVSO-LLVKDONJSA-N -1 3 350.387 3.342 20 0 FGADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1Cc1nc([C@H]2CCC(F)(F)C2)no1 ZINC000281417204 498143354 /nfs/dbraw/zinc/14/33/54/498143354.db2.gz OMFSDUUKKRUJRQ-NSHDSACASA-N -1 3 373.363 3.429 20 0 FGADHM O=S(=O)([N-]C12CC3CC(CC(C3)C1)C2)c1cccnc1C(F)(F)F ZINC000578658536 505991493 /nfs/dbraw/zinc/99/14/93/505991493.db2.gz BIGGOPGRKVDRID-UHFFFAOYSA-N -1 3 360.401 3.348 20 0 FGADHM CCOc1ccc(C(=O)N2CCCCC2)cc1NC([O-])=NOCC1CC1 ZINC000292874310 498180104 /nfs/dbraw/zinc/18/01/04/498180104.db2.gz XIYSJHWBUIBELF-UHFFFAOYSA-N -1 3 361.442 3.175 20 0 FGADHM CCOc1ccc(C(=O)N2CCCCC2)cc1NC(=O)[N-]OCC1CC1 ZINC000292874310 498180113 /nfs/dbraw/zinc/18/01/13/498180113.db2.gz XIYSJHWBUIBELF-UHFFFAOYSA-N -1 3 361.442 3.175 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]CC[C@@H]2CCCCO2)c(Cl)c1Cl ZINC000330764895 498190509 /nfs/dbraw/zinc/19/05/09/498190509.db2.gz SGPFXBSMAKSFOG-JTQLQIEISA-N -1 3 368.282 3.240 20 0 FGADHM CCC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]CC(C)(C)C[C@H](C)O)c1 ZINC000281560900 498194255 /nfs/dbraw/zinc/19/42/55/498194255.db2.gz UNVNOAIJVNCXDW-NSHDSACASA-N -1 3 361.891 3.008 20 0 FGADHM CN1CC[C@@H](CN=c2[n-]nc(-c3ccccn3)s2)[C@@H]1c1cccs1 ZINC000364928047 498213405 /nfs/dbraw/zinc/21/34/05/498213405.db2.gz CDRHVJLQIDBRFI-SWLSCSKDSA-N -1 3 357.508 3.188 20 0 FGADHM CCOC(=O)CC1CCN(C(=O)c2c[n-]c3ccc(C)cc3c2=O)CC1 ZINC000285838958 498215242 /nfs/dbraw/zinc/21/52/42/498215242.db2.gz 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CCc1cc(=O)[n-]c(-c2ccc(N[C@H]3CCO[C@]4(CCSC4)C3)nc2)n1 ZINC000301741010 498246869 /nfs/dbraw/zinc/24/68/69/498246869.db2.gz XSULFKTWUGEBJG-HNAYVOBHSA-N -1 3 372.494 3.273 20 0 FGADHM CCc1cccc(-c2nc(-c3cccc(N4CCNC4=O)c3)no2)c1[O-] ZINC000578719780 506004843 /nfs/dbraw/zinc/00/48/43/506004843.db2.gz CKYYLCBIOYBHRZ-UHFFFAOYSA-N -1 3 350.378 3.201 20 0 FGADHM Cc1cccc([C@H](C)N2CCC[C@@H](c3n[nH]cc3[N-]S(C)(=O)=O)C2)c1 ZINC000360660935 498294583 /nfs/dbraw/zinc/29/45/83/498294583.db2.gz IBZCESWHFNIZAI-GOEBONIOSA-N -1 3 362.499 3.030 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H](C)C[C@H](O)c3ccco3)nc2)n1 ZINC000301913160 498324426 /nfs/dbraw/zinc/32/44/26/498324426.db2.gz UFXANGZYDTWSES-WFASDCNBSA-N -1 3 354.410 3.324 20 0 FGADHM Cc1ccccc1[C@H]1CCCN1C(=O)N=c1cc(OC(F)F)n(C)[n-]1 ZINC000331486478 498346705 /nfs/dbraw/zinc/34/67/05/498346705.db2.gz FSDAJPLPNPMXCB-CYBMUJFWSA-N -1 3 350.369 3.121 20 0 FGADHM CCN(CC)C(=O)c1ccccc1NC(=O)c1[n-]nc2c1cccc2OC ZINC000289906937 498347652 /nfs/dbraw/zinc/34/76/52/498347652.db2.gz KZJYENCSYGCSLI-UHFFFAOYSA-N -1 3 366.421 3.306 20 0 FGADHM CCN(CC)C(=O)c1ccccc1NC(=O)c1n[n-]c2c1cccc2OC ZINC000289906937 498347655 /nfs/dbraw/zinc/34/76/55/498347655.db2.gz KZJYENCSYGCSLI-UHFFFAOYSA-N -1 3 366.421 3.306 20 0 FGADHM CSc1ccc(C(=O)N2CC[C@@H](OCc3c(C)noc3C)C2)c([O-])c1 ZINC000365203283 498348930 /nfs/dbraw/zinc/34/89/30/498348930.db2.gz MQCAOJFYLZQSII-CYBMUJFWSA-N -1 3 362.451 3.150 20 0 FGADHM COCc1noc(-c2cccc(NC(=O)c3ccc(C)cc3[O-])c2C)n1 ZINC000361170953 498354868 /nfs/dbraw/zinc/35/48/68/498354868.db2.gz VSIBRFAQTHEVGP-UHFFFAOYSA-N -1 3 353.378 3.458 20 0 FGADHM COC(=O)c1ccc(C(=O)Nc2ccc(N(C)C)cc2C(F)(F)F)[n-]1 ZINC000293418663 498377925 /nfs/dbraw/zinc/37/79/25/498377925.db2.gz RJIYPEUNNYCQLB-UHFFFAOYSA-N -1 3 355.316 3.138 20 0 FGADHM C[C@H]1[C@H](NC(=O)N=c2nc(C(C)(C)C)[n-]s2)CCN1Cc1ccccc1 ZINC000575876129 506024588 /nfs/dbraw/zinc/02/45/88/506024588.db2.gz HTVBSUKCALDCIQ-DZGCQCFKSA-N -1 3 373.526 3.042 20 0 FGADHM COc1cc(OC)cc([C@H]([N-]c2noc(C(C)(C)C)n2)c2nccn2C)c1 ZINC000302051879 498385641 /nfs/dbraw/zinc/38/56/41/498385641.db2.gz OHVCUNCWRUZRHQ-HNNXBMFYSA-N -1 3 371.441 3.319 20 0 FGADHM O=C(NCc1cccc(NC(=O)[C@H]2CCCO2)c1)c1cc([O-])ccc1Cl ZINC000290009561 498391963 /nfs/dbraw/zinc/39/19/63/498391963.db2.gz DQWKEPOBKJXBRO-QGZVFWFLSA-N -1 3 374.824 3.093 20 0 FGADHM CCN(CC)C(=O)c1ccc(NC(=O)c2[n-]nc3c2cccc3OC)cc1 ZINC000290034253 498402248 /nfs/dbraw/zinc/40/22/48/498402248.db2.gz NOJJEHLYJSYBEA-UHFFFAOYSA-N -1 3 366.421 3.306 20 0 FGADHM CCN(CC)C(=O)c1ccc(NC(=O)c2n[n-]c3c2cccc3OC)cc1 ZINC000290034253 498402255 /nfs/dbraw/zinc/40/22/55/498402255.db2.gz NOJJEHLYJSYBEA-UHFFFAOYSA-N -1 3 366.421 3.306 20 0 FGADHM Cc1noc([C@@H]([N-]C(=O)C(F)(F)c2ncccc2C)c2ccccc2)n1 ZINC000365324911 498406538 /nfs/dbraw/zinc/40/65/38/498406538.db2.gz PPJIAXJTNBQZPH-AWEZNQCLSA-N -1 3 358.348 3.079 20 0 FGADHM C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCN2C(=O)c2cc(=O)c3ccccc3[n-]2)C1 ZINC000282184282 498414318 /nfs/dbraw/zinc/41/43/18/498414318.db2.gz SAXVURDEKASQAG-MDUILUSMSA-N -1 3 354.450 3.342 20 0 FGADHM CN(Cc1csc(Br)c1)C(=O)N=c1cc2ccccn2[n-]1 ZINC000581626008 506030583 /nfs/dbraw/zinc/03/05/83/506030583.db2.gz USYVFDSEGZVDNS-UHFFFAOYSA-N -1 3 365.256 3.244 20 0 FGADHM COc1cccc(C2CCN(C(=O)c3cc(F)cc4[n-]nnc43)CC2)c1 ZINC000282195448 498418439 /nfs/dbraw/zinc/41/84/39/498418439.db2.gz NQRNJXDLDOZGGF-UHFFFAOYSA-N -1 3 354.385 3.125 20 0 FGADHM COc1cccc(C2CCN(C(=O)c3cc(F)cc4nn[n-]c43)CC2)c1 ZINC000282195448 498418442 /nfs/dbraw/zinc/41/84/42/498418442.db2.gz NQRNJXDLDOZGGF-UHFFFAOYSA-N -1 3 354.385 3.125 20 0 FGADHM COc1cccc(C2CCN(C(=O)c3cc(F)cc4n[n-]nc43)CC2)c1 ZINC000282195448 498418447 /nfs/dbraw/zinc/41/84/47/498418447.db2.gz NQRNJXDLDOZGGF-UHFFFAOYSA-N -1 3 354.385 3.125 20 0 FGADHM COc1cc(C(=O)NC(C)(C)COCc2ccccc2)cc(OC)c1[O-] ZINC000282248348 498438044 /nfs/dbraw/zinc/43/80/44/498438044.db2.gz VQMXQEJZZSIBEA-UHFFFAOYSA-N -1 3 359.422 3.135 20 0 FGADHM Cc1ccccc1[C@H]([C@H](C)N=c1[n-]nc(-c2ccccn2)s1)N(C)C ZINC000569881543 506037450 /nfs/dbraw/zinc/03/74/50/506037450.db2.gz DRSAWLOKJHSUDX-YOEHRIQHSA-N -1 3 353.495 3.434 20 0 FGADHM Cc1nc(C2([N-]S(=O)(=O)c3ccc(C(F)F)cc3)CCCC2)no1 ZINC000286677183 498472992 /nfs/dbraw/zinc/47/29/92/498472992.db2.gz PWNULFJMDDYNHO-UHFFFAOYSA-N -1 3 357.382 3.063 20 0 FGADHM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1cccc(-c2ccc(=O)[nH]n2)c1 ZINC000365474605 498485387 /nfs/dbraw/zinc/48/53/87/498485387.db2.gz PLFXVAMCMVWPNA-UHFFFAOYSA-N -1 3 373.409 3.406 20 0 FGADHM CCn1cc([C@H](C)NC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)cn1 ZINC000575960786 506042341 /nfs/dbraw/zinc/04/23/41/506042341.db2.gz CGNQCEVGKHOSEN-LBPRGKRZSA-N -1 3 366.425 3.257 20 0 FGADHM CC(C)(CC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1)c1ccccc1 ZINC000290279048 498493245 /nfs/dbraw/zinc/49/32/45/498493245.db2.gz DATBONNNIOKBIC-AWEZNQCLSA-N -1 3 370.415 3.271 20 0 FGADHM CCOc1cc(CN2CCC([C@@H](C)O)CC2)cc(Br)c1[O-] ZINC000297577493 498499638 /nfs/dbraw/zinc/49/96/38/498499638.db2.gz DHTOJAGFZRRZFG-LLVKDONJSA-N -1 3 358.276 3.146 20 0 FGADHM O=C([N-]C[C@@H]1CCCN(C(=O)c2cccc3ccccc32)C1)C(F)(F)F ZINC000290314053 498504772 /nfs/dbraw/zinc/50/47/72/498504772.db2.gz HONWNYQLFACHKQ-ZDUSSCGKSA-N -1 3 364.367 3.371 20 0 FGADHM CC(C)N1CCCC[C@@H]1C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000365523946 498511478 /nfs/dbraw/zinc/51/14/78/498511478.db2.gz BRENTNJEHOWHOZ-LJQANCHMSA-N -1 3 358.482 3.076 20 0 FGADHM Cc1ccc2[n-]cc(C(=O)N3CCC[C@H]([C@H](O)C(F)(F)F)C3)c(=O)c2c1 ZINC000286815414 498517484 /nfs/dbraw/zinc/51/74/84/498517484.db2.gz LKQWOYLOXGBYBR-ZBEGNZNMSA-N -1 3 368.355 3.024 20 0 FGADHM Cc1cccnc1[C@@H]([N-]S(=O)(=O)c1cccnc1C(F)(F)F)C(C)C ZINC000575975805 506047081 /nfs/dbraw/zinc/04/70/81/506047081.db2.gz DBHAERDVUKRPCK-ZDUSSCGKSA-N -1 3 373.400 3.479 20 0 FGADHM Cc1ncc(S(=O)(=O)[N-][C@H]2CC(C)(C)Oc3cc(F)ccc32)s1 ZINC000331982067 498522468 /nfs/dbraw/zinc/52/24/68/498522468.db2.gz SSWKIUAJYQTUNL-LBPRGKRZSA-N -1 3 356.444 3.171 20 0 FGADHM C[C@H](c1ccccc1)N1CC[C@@H](Nc2cc(C(C)(C)C)nc(C(=O)[O-])n2)C1 ZINC000572768913 506047636 /nfs/dbraw/zinc/04/76/36/506047636.db2.gz KTBIEGYIWZUSFA-GDBMZVCRSA-N -1 3 368.481 3.142 20 0 FGADHM CC(C)[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)c1cc([O-])c2ccccc2c1 ZINC000331996587 498527634 /nfs/dbraw/zinc/52/76/34/498527634.db2.gz PGAGRKUFUQBENE-CXAGYDPISA-N -1 3 372.490 3.221 20 0 FGADHM O=S(=O)([N-][C@H]1CCCC[C@H]1n1cccn1)c1cc(F)cc(Cl)c1 ZINC000332001505 498528336 /nfs/dbraw/zinc/52/83/36/498528336.db2.gz DPFBTKBKLJWPGH-LSDHHAIUSA-N -1 3 357.838 3.138 20 0 FGADHM CCc1nn(C)c(OC)c1CNC(=O)CCc1ccc2ccccc2c1[O-] ZINC000297667643 498530773 /nfs/dbraw/zinc/53/07/73/498530773.db2.gz ZQBBLHDDSAPZEC-UHFFFAOYSA-N -1 3 367.449 3.099 20 0 FGADHM C[C@H]1CCC[C@@H](CC(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)C1 ZINC000332026795 498536723 /nfs/dbraw/zinc/53/67/23/498536723.db2.gz XMOFSXQLZMZGCY-JKSUJKDBSA-N -1 3 358.482 3.329 20 0 FGADHM CC[C@H]1c2ccsc2CCN1C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000332084739 498556107 /nfs/dbraw/zinc/55/61/07/498556107.db2.gz DXOHHJYSAIPHLY-VIFPVBQESA-N -1 3 359.377 3.104 20 0 FGADHM CC[C@H]1c2ccsc2CCN1C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000332084739 498556114 /nfs/dbraw/zinc/55/61/14/498556114.db2.gz DXOHHJYSAIPHLY-VIFPVBQESA-N -1 3 359.377 3.104 20 0 FGADHM CC[C@H]1c2ccsc2CCN1C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000332084739 498556120 /nfs/dbraw/zinc/55/61/20/498556120.db2.gz DXOHHJYSAIPHLY-VIFPVBQESA-N -1 3 359.377 3.104 20 0 FGADHM O=C(c1cc([O-])ccc1Cl)N1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC000332093347 498558500 /nfs/dbraw/zinc/55/85/00/498558500.db2.gz ANMFIUZYJUQFMT-UHFFFAOYSA-N -1 3 363.816 3.395 20 0 FGADHM CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)c1cc([O-])ccc1Cl ZINC000290451182 498558558 /nfs/dbraw/zinc/55/85/58/498558558.db2.gz LVWLANSDPFJEPK-UHFFFAOYSA-N -1 3 360.841 3.410 20 0 FGADHM COc1cccc(C(=O)N2CCC(N3CCc4cc(F)ccc43)CC2)c1[O-] ZINC000282582454 498568926 /nfs/dbraw/zinc/56/89/26/498568926.db2.gz ZUNVDUGULNCUAP-UHFFFAOYSA-N -1 3 370.424 3.207 20 0 FGADHM CC1(C)[C@H](Oc2ccccc2)C[C@@H]1NC(=O)c1c[n-]nc1-c1ccccn1 ZINC000572808045 506056500 /nfs/dbraw/zinc/05/65/00/506056500.db2.gz XGGVQZFUFNRJKR-ZWKOTPCHSA-N -1 3 362.433 3.448 20 0 FGADHM O=C([N-]C[C@@H]1CCCN(c2ccnc(-c3ccccc3)n2)C1)C(F)(F)F ZINC000290627406 498624873 /nfs/dbraw/zinc/62/48/73/498624873.db2.gz GUZOBFLVTATDBL-ZDUSSCGKSA-N -1 3 364.371 3.039 20 0 FGADHM C[C@@H]1C[C@@H](C(C)(C)C)CCN1C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000572874495 506073112 /nfs/dbraw/zinc/07/31/12/506073112.db2.gz HDVDJTBDFJVSIU-HIFRSBDPSA-N -1 3 352.500 3.345 20 0 FGADHM COCCCO[N-]C(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1 ZINC000287116507 498635366 /nfs/dbraw/zinc/63/53/66/498635366.db2.gz TUOIFUNVWOPEBJ-UHFFFAOYSA-N -1 3 365.817 3.404 20 0 FGADHM O=C(CN1CCC(NCc2cccc([O-])c2Cl)CC1)Nc1ccccc1 ZINC000294277993 498641144 /nfs/dbraw/zinc/64/11/44/498641144.db2.gz VVLXGARMTUAJQS-UHFFFAOYSA-N -1 3 373.884 3.238 20 0 FGADHM O=C(CC1(N2CCOCC2)CCCC1)Nc1cc(Cl)c([O-])cc1F ZINC000287133539 498642203 /nfs/dbraw/zinc/64/22/03/498642203.db2.gz ZKXDQQXAEKRHHC-UHFFFAOYSA-N -1 3 356.825 3.158 20 0 FGADHM CCOc1cc(CN2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)cc(Cl)c1[O-] ZINC000298030152 498643799 /nfs/dbraw/zinc/64/37/99/498643799.db2.gz FVPRFFHFGPRHBM-VXGBXAGGSA-N -1 3 367.795 3.437 20 0 FGADHM CCCn1c(=O)[n-]c(=O)c2c(C(=O)N[C@H](C)[C@H](C)CC)cc(C(C)C)nc21 ZINC000303057899 498644833 /nfs/dbraw/zinc/64/48/33/498644833.db2.gz ZPTXSDRHBHSHIW-CHWSQXEVSA-N -1 3 374.485 3.195 20 0 FGADHM C[C@@H](c1cccc(Br)c1)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000332320368 498647819 /nfs/dbraw/zinc/64/78/19/498647819.db2.gz NQVYRLLLDHQFRN-JQWIXIFHSA-N -1 3 352.232 3.478 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N3CCC[C@@]4(CCCCO4)C3)c[n-]c12 ZINC000365818146 498654609 /nfs/dbraw/zinc/65/46/09/498654609.db2.gz IYMXPVKYVJQUMF-FQEVSTJZSA-N -1 3 358.413 3.151 20 0 FGADHM O=S(=O)([N-]CC1(c2ccc(C(F)(F)F)cc2)CC1)c1cscn1 ZINC000579001605 506071146 /nfs/dbraw/zinc/07/11/46/506071146.db2.gz LHYLDWCKCHHZQX-UHFFFAOYSA-N -1 3 362.398 3.172 20 0 FGADHM O=C(c1ccc(C(=O)N2CC[C@H](O)CC23CCC3)cc1)c1cccc([O-])c1 ZINC000572868367 506071419 /nfs/dbraw/zinc/07/14/19/506071419.db2.gz SJWWBMGAWKGJPC-IBGZPJMESA-N -1 3 365.429 3.143 20 0 FGADHM Cn1cc(-c2ccccc2CNC(=O)Cc2ccc([O-])cc2Cl)cn1 ZINC000363149159 498676416 /nfs/dbraw/zinc/67/64/16/498676416.db2.gz WQZJXXSMGUGIMA-UHFFFAOYSA-N -1 3 355.825 3.305 20 0 FGADHM C[C@H]1C[C@H](C(C)(C)C)CCN1C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000572874494 506072999 /nfs/dbraw/zinc/07/29/99/506072999.db2.gz HDVDJTBDFJVSIU-DZGCQCFKSA-N -1 3 352.500 3.345 20 0 FGADHM Cc1oc(CN(C)C[C@H](O)Cc2ccc(C(F)(F)F)cc2)cc1C(=O)[O-] ZINC000572889195 506076316 /nfs/dbraw/zinc/07/63/16/506076316.db2.gz CPBDBZRVTIPPBK-CQSZACIVSA-N -1 3 371.355 3.340 20 0 FGADHM O=C([N-]c1nc(-c2cccnc2)cs1)c1cc(CN2CCCC2)on1 ZINC000290880461 498710267 /nfs/dbraw/zinc/71/02/67/498710267.db2.gz BVBYDOZZRBZMNI-UHFFFAOYSA-N -1 3 355.423 3.041 20 0 FGADHM C[C@H](C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)c1cccc(Cl)c1 ZINC000332549949 498722409 /nfs/dbraw/zinc/72/24/09/498722409.db2.gz PCVCWJGCTFIFDW-AWEZNQCLSA-N -1 3 372.852 3.134 20 0 FGADHM COCCCON=C([O-])Nc1ccnn1Cc1cccc2ccccc21 ZINC000287387086 498738643 /nfs/dbraw/zinc/73/86/43/498738643.db2.gz RWXLVXGJTSXJQC-UHFFFAOYSA-N -1 3 354.410 3.174 20 0 FGADHM COCCCO[N-]C(=O)Nc1ccnn1Cc1cccc2ccccc21 ZINC000287387086 498738648 /nfs/dbraw/zinc/73/86/48/498738648.db2.gz RWXLVXGJTSXJQC-UHFFFAOYSA-N -1 3 354.410 3.174 20 0 FGADHM CC(C)(C)c1ncc(CN2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)s1 ZINC000291002452 498752668 /nfs/dbraw/zinc/75/26/68/498752668.db2.gz BAZNAOMGOREZIY-NSHDSACASA-N -1 3 363.449 3.331 20 0 FGADHM CN(C)C(=O)c1cc(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)ccc1F ZINC000332656237 498755790 /nfs/dbraw/zinc/75/57/90/498755790.db2.gz OOJJMWRSDFTJRZ-UHFFFAOYSA-N -1 3 372.396 3.199 20 0 FGADHM CCOc1cc(CN2CCN(Cc3ccccn3)CC2)cc(Cl)c1[O-] ZINC000298411108 498761825 /nfs/dbraw/zinc/76/18/25/498761825.db2.gz NBSCGCCRWBEQGL-UHFFFAOYSA-N -1 3 361.873 3.157 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000287498752 498778221 /nfs/dbraw/zinc/77/82/21/498778221.db2.gz QMOHSYHRDOLZMO-AOIWGVFYSA-N -1 3 370.424 3.245 20 0 FGADHM COC(=O)c1c(C)csc1[N-]C(=O)C(=O)N(C)[C@@H](C)c1ccccc1 ZINC000287503403 498780692 /nfs/dbraw/zinc/78/06/92/498780692.db2.gz QUXBHFLRWYYVMS-LBPRGKRZSA-N -1 3 360.435 3.001 20 0 FGADHM C[C@@H](NCc1cccc([O-])c1Br)c1nnc2n1CCCCC2 ZINC000315455742 498783904 /nfs/dbraw/zinc/78/39/04/498783904.db2.gz WYCSQWVODUOMFM-LLVKDONJSA-N -1 3 365.275 3.323 20 0 FGADHM Cc1cccc2c(=O)c(C(=O)N3CCC[C@@H]3[C@@H]3CCCC[C@]3(C)O)c[n-]c12 ZINC000332796127 498795192 /nfs/dbraw/zinc/79/51/92/498795192.db2.gz QKHCBHUTARBCQL-SVMVAKDDSA-N -1 3 368.477 3.382 20 0 FGADHM CCC[C@@](C)(O)C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000318956201 498800102 /nfs/dbraw/zinc/80/01/02/498800102.db2.gz VPENDPKMULCTRH-GFCCVEGCSA-N -1 3 359.797 3.188 20 0 FGADHM O=C(Cc1cncc([O-])c1)Nc1nnc([C@@H]2CCCc3ccccc32)s1 ZINC000572974090 506093657 /nfs/dbraw/zinc/09/36/57/506093657.db2.gz LUFKSXIRZLYROP-MRXNPFEDSA-N -1 3 366.446 3.288 20 0 FGADHM COC(=O)c1c(C)csc1[N-]C(=O)C(=O)N(C)[C@@H](C)c1cccs1 ZINC000287609328 498812342 /nfs/dbraw/zinc/81/23/42/498812342.db2.gz XJKNNKLDXIUFLU-JTQLQIEISA-N -1 3 366.464 3.063 20 0 FGADHM CC(C)[C@@](C)(NCc1nc(=O)c2cc(-c3ccccc3)sc2[n-]1)C(N)=O ZINC000298567298 498816102 /nfs/dbraw/zinc/81/61/02/498816102.db2.gz QBJGVBBURXNSQE-LJQANCHMSA-N -1 3 370.478 3.054 20 0 FGADHM CCC(CC)[C@H](O)C[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000323227626 498818967 /nfs/dbraw/zinc/81/89/67/498818967.db2.gz SFPZNBGEXBTVDK-GFCCVEGCSA-N -1 3 373.824 3.434 20 0 FGADHM CC[C@@](C)(C[N-]S(=O)(=O)c1c(Cl)cccc1Br)OC ZINC000322895570 498819642 /nfs/dbraw/zinc/81/96/42/498819642.db2.gz ZUWYGJLDLHBHPH-LBPRGKRZSA-N -1 3 370.696 3.196 20 0 FGADHM O=S(=O)([N-][C@H]1CCC[C@H](CO)C1)c1ccc(Cl)cc1C(F)(F)F ZINC000323769268 498823447 /nfs/dbraw/zinc/82/34/47/498823447.db2.gz YTNFYNBOAWFHHO-ONGXEEELSA-N -1 3 371.808 3.188 20 0 FGADHM O=S(=O)([N-][C@@H]1CCC[C@H](CO)C1)c1ccc(Cl)cc1C(F)(F)F ZINC000323769264 498823131 /nfs/dbraw/zinc/82/31/31/498823131.db2.gz YTNFYNBOAWFHHO-GXSJLCMTSA-N -1 3 371.808 3.188 20 0 FGADHM COC[C@]1(C(=O)[O-])CCCN([C@H](C)c2ccc(Br)cc2)C1 ZINC000573008985 506098538 /nfs/dbraw/zinc/09/85/38/506098538.db2.gz KJNKXLWSQDGXLM-WBMJQRKESA-N -1 3 356.260 3.323 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@@H]2C[C@@H]2c2cc(F)c(F)c(F)c2)c1-c1ccncc1 ZINC000366238636 498836041 /nfs/dbraw/zinc/83/60/41/498836041.db2.gz AFXFIYOYLAQUAH-CHWSQXEVSA-N -1 3 372.350 3.362 20 0 FGADHM CN(C(=O)c1cc([O-])c2ccccc2c1)C1CCN(c2cnccn2)CC1 ZINC000366249954 498841747 /nfs/dbraw/zinc/84/17/47/498841747.db2.gz JOVCERLKFNJRSF-UHFFFAOYSA-N -1 3 362.433 3.076 20 0 FGADHM Cn1ccnc1-c1nnc([N-]C(=O)c2c(Cl)cccc2Cl)s1 ZINC000363489517 498846618 /nfs/dbraw/zinc/84/66/18/498846618.db2.gz OBTPKAHNFKZILP-UHFFFAOYSA-N -1 3 354.222 3.498 20 0 FGADHM COc1cc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCO3)cc(OC)c1[O-] ZINC000363515434 498856524 /nfs/dbraw/zinc/85/65/24/498856524.db2.gz GULZBHBGKQAMFB-AWEZNQCLSA-N -1 3 371.389 3.115 20 0 FGADHM Cc1c([N-]S(=O)(=O)/C=C/c2ccc(F)cc2)cnn1C1CCOCC1 ZINC000294945897 498858603 /nfs/dbraw/zinc/85/86/03/498858603.db2.gz AFXQOPVGZAORMX-DHZHZOJOSA-N -1 3 365.430 3.095 20 0 FGADHM O=C(Nc1cccc([C@H]2CNC(=O)C2)c1)c1ccc2c(c1[O-])CCCC2 ZINC000333078690 498893480 /nfs/dbraw/zinc/89/34/80/498893480.db2.gz QABBFVRBYLERJZ-OAHLLOKOSA-N -1 3 350.418 3.127 20 0 FGADHM Cc1ccc(-c2nnc(NC(=O)c3ccc(NC(=O)C(C)(C)C)nc3)[n-]2)o1 ZINC000295084319 498903789 /nfs/dbraw/zinc/90/37/89/498903789.db2.gz XCEIBZKNJMDRSI-UHFFFAOYSA-N -1 3 368.397 3.005 20 0 FGADHM Cc1ccc(-c2n[n-]c(NC(=O)c3ccc(NC(=O)C(C)(C)C)nc3)n2)o1 ZINC000295084319 498903791 /nfs/dbraw/zinc/90/37/91/498903791.db2.gz XCEIBZKNJMDRSI-UHFFFAOYSA-N -1 3 368.397 3.005 20 0 FGADHM Cc1ccc(-c2nc(NC(=O)c3ccc(NC(=O)C(C)(C)C)nc3)n[n-]2)o1 ZINC000295084319 498903794 /nfs/dbraw/zinc/90/37/94/498903794.db2.gz XCEIBZKNJMDRSI-UHFFFAOYSA-N -1 3 368.397 3.005 20 0 FGADHM Cc1noc([C@@H](NC(=O)Cc2ccc([O-])cc2Cl)c2ccccc2)n1 ZINC000366391167 498905840 /nfs/dbraw/zinc/90/58/40/498905840.db2.gz QYWMVEIQKSCDHT-KRWDZBQOSA-N -1 3 357.797 3.185 20 0 FGADHM CC(C)n1nccc1[C@H]1OCC[C@@H]1NC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000333121640 498906921 /nfs/dbraw/zinc/90/69/21/498906921.db2.gz ZXBMZVHODUJUGT-PXNSSMCTSA-N -1 3 369.465 3.308 20 0 FGADHM O=S(=O)([N-][C@H]1CCO[C@H](c2ccccc2)C1)c1cnc(Cl)c(F)c1 ZINC000287946944 498909464 /nfs/dbraw/zinc/90/94/64/498909464.db2.gz WGWNEOKRGYNQQF-WFASDCNBSA-N -1 3 370.833 3.073 20 0 FGADHM O=C(Nc1ccccc1OC[C@H]1CCCCO1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000576238599 506110520 /nfs/dbraw/zinc/11/05/20/506110520.db2.gz BSEVIZNYPUYHKZ-CQSZACIVSA-N -1 3 369.421 3.260 20 0 FGADHM CCc1cc(C(=O)Nc2ccc(NC(=O)[C@H]3CCCO3)cc2)ccc1[O-] ZINC000291372835 498914489 /nfs/dbraw/zinc/91/44/89/498914489.db2.gz ASIKICARRYVDTQ-GOSISDBHSA-N -1 3 354.406 3.324 20 0 FGADHM O=S(=O)(C[C@@H]1CCCCC1(F)F)[N-][C@@H]1CCO[C@H]1c1ccccc1 ZINC000295130306 498919482 /nfs/dbraw/zinc/91/94/82/498919482.db2.gz AWELTOAAOWDNTP-XHSDSOJGSA-N -1 3 359.438 3.262 20 0 FGADHM Cc1ccc([O-])c(C(=O)N2C[C@@H](CCN3CCCC3=O)c3ccccc32)c1 ZINC000363659233 498929261 /nfs/dbraw/zinc/92/92/61/498929261.db2.gz GVTJZOWECXQXOZ-MRXNPFEDSA-N -1 3 364.445 3.457 20 0 FGADHM COCC[C@H]([N-]S(=O)(=O)C[C@@H]1CCCC1(F)F)c1ccc(C)o1 ZINC000295194804 498939571 /nfs/dbraw/zinc/93/95/71/498939571.db2.gz RPVCADGLNDKVDT-STQMWFEESA-N -1 3 351.415 3.020 20 0 FGADHM COc1cccc2c(C(=O)N3CCCc4c(NC(C)=O)cccc43)[n-]nc21 ZINC000291435561 498939199 /nfs/dbraw/zinc/93/91/99/498939199.db2.gz IGDALWNOJJVTQD-UHFFFAOYSA-N -1 3 364.405 3.123 20 0 FGADHM COc1cccc2c(C(=O)N3CCCc4c(NC(C)=O)cccc43)n[n-]c21 ZINC000291435561 498939206 /nfs/dbraw/zinc/93/92/06/498939206.db2.gz IGDALWNOJJVTQD-UHFFFAOYSA-N -1 3 364.405 3.123 20 0 FGADHM CCOc1cc(C(=O)N2CCC[C@H](c3cc(C)[nH]n3)C2)cc(Cl)c1[O-] ZINC000283631229 498942255 /nfs/dbraw/zinc/94/22/55/498942255.db2.gz SDQVDPVAJPOCEF-LBPRGKRZSA-N -1 3 363.845 3.496 20 0 FGADHM CC1CC(C(=O)N2CCc3nc[n-]c(=O)c3C2)(c2cccc(Cl)c2)C1 ZINC000579197830 506115373 /nfs/dbraw/zinc/11/53/73/506115373.db2.gz JCIJAJUSAUEPNO-UHFFFAOYSA-N -1 3 357.841 3.088 20 0 FGADHM O=S(=O)([N-]CCc1cnc(C2CC2)nc1)c1ccc2ccccc2c1F ZINC000579196201 506115706 /nfs/dbraw/zinc/11/57/06/506115706.db2.gz OWGITPGOGHUPRR-UHFFFAOYSA-N -1 3 371.437 3.167 20 0 FGADHM CCOc1cc(C(=O)[N-]c2cc(Cl)ccc2OC[C@H]2CCOC2)on1 ZINC000295230812 498949500 /nfs/dbraw/zinc/94/95/00/498949500.db2.gz SRVYORBDIDJBFF-NSHDSACASA-N -1 3 366.801 3.394 20 0 FGADHM CCn1cc([C@@H](C)[N-]S(=O)(=O)c2cc(Cl)sc2Cl)cn1 ZINC000295232672 498951321 /nfs/dbraw/zinc/95/13/21/498951321.db2.gz CQXQIAOFNJCLJS-SSDOTTSWSA-N -1 3 354.284 3.311 20 0 FGADHM O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2CN1Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000570219654 506117605 /nfs/dbraw/zinc/11/76/05/506117605.db2.gz NEDDZNWUYKTKNU-IIMJZQEZSA-N -1 3 351.450 3.046 20 0 FGADHM CCc1cc(C(=O)NCc2ccccc2CN2CCCC2=O)ccc1[O-] ZINC000291508967 498969727 /nfs/dbraw/zinc/96/97/27/498969727.db2.gz QCIVTVPSADEOBL-UHFFFAOYSA-N -1 3 352.434 3.007 20 0 FGADHM CC[C@@H](Sc1ccccc1)C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C ZINC000291520749 498975045 /nfs/dbraw/zinc/97/50/45/498975045.db2.gz JOKVSZVMBHHIIG-QGZVFWFLSA-N -1 3 371.462 3.092 20 0 FGADHM CCc1cc(C(=O)N(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)ccc1[O-] ZINC000291529014 498978942 /nfs/dbraw/zinc/97/89/42/498978942.db2.gz STQMSUMIDVYROG-ZDUSSCGKSA-N -1 3 361.463 3.191 20 0 FGADHM CC[C@@H]1CN(C(=O)CCc2ccc3ccccc3c2[O-])C[C@H](C)[S@]1=O ZINC000295336759 498984780 /nfs/dbraw/zinc/98/47/80/498984780.db2.gz QRFODTUVOQVVBY-PHDITVQNSA-N -1 3 359.491 3.236 20 0 FGADHM CCCc1nnc([N-]C(=O)c2sc([C@H]3CCCOC3)nc2C)s1 ZINC000366581499 498989944 /nfs/dbraw/zinc/98/99/44/498989944.db2.gz MZHSRSNGEQMXQB-JTQLQIEISA-N -1 3 352.485 3.402 20 0 FGADHM Cc1cc(C)c2[n-]cc(C(=O)N3CCOC[C@@H]3CC(F)F)c(=O)c2c1 ZINC000288329263 498995595 /nfs/dbraw/zinc/99/55/95/498995595.db2.gz KTBYKEDSNBBSLD-LBPRGKRZSA-N -1 3 350.365 3.053 20 0 FGADHM CCOc1cc(CNCc2ccc(S(C)(=O)=O)cc2)cc(Cl)c1[O-] ZINC000299235980 499002168 /nfs/dbraw/zinc/00/21/68/499002168.db2.gz NZBGBJJQCHDTPD-UHFFFAOYSA-N -1 3 369.870 3.138 20 0 FGADHM Cc1cccc2c(=O)c(C(=O)N3CCC4(CCC(O)CC4)CC3)c[n-]c12 ZINC000295395057 499003597 /nfs/dbraw/zinc/00/35/97/499003597.db2.gz LVNLWXGVJBAQSP-UHFFFAOYSA-N -1 3 354.450 3.406 20 0 FGADHM CCOc1ccc([C@@H](O)C2CCN([C@H](C)c3nc(C)cc(=O)[n-]3)CC2)cc1 ZINC000291607292 499009319 /nfs/dbraw/zinc/00/93/19/499009319.db2.gz CCSAAJIPGHVQKA-FOIQADDNSA-N -1 3 371.481 3.396 20 0 FGADHM Cc1cccc(C)c1CS(=O)(=O)[N-]c1cc(C(F)(F)F)c[nH]c1=O ZINC000295412249 499009874 /nfs/dbraw/zinc/00/98/74/499009874.db2.gz XLBHNMYMJRUOPQ-UHFFFAOYSA-N -1 3 360.357 3.365 20 0 FGADHM COC(=O)[C@H](NCc1nc(=O)c2cc(-c3ccccc3)sc2[n-]1)C1CC1 ZINC000299272509 499010892 /nfs/dbraw/zinc/01/08/92/499010892.db2.gz LAGYGVPJPGYRQQ-MRXNPFEDSA-N -1 3 369.446 3.105 20 0 FGADHM Cc1nc(C)c(S(=O)(=O)[N-][C@H]2CCCOc3ccc(F)cc32)s1 ZINC000333535595 499026091 /nfs/dbraw/zinc/02/60/91/499026091.db2.gz YSLGTBLMOUBBIL-ZDUSSCGKSA-N -1 3 356.444 3.091 20 0 FGADHM CN(CCN(C)C1CC1)Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000299450110 499063168 /nfs/dbraw/zinc/06/31/68/499063168.db2.gz WPECKSJVRZZXCG-UHFFFAOYSA-N -1 3 358.467 3.183 20 0 FGADHM Cc1noc(C)c1[N-]C(=O)c1ccc(C(=O)Nc2c(C)noc2C)s1 ZINC000299475605 499070216 /nfs/dbraw/zinc/07/02/16/499070216.db2.gz DEJMWGXMKULYSX-UHFFFAOYSA-N -1 3 360.395 3.462 20 0 FGADHM CC(=O)[C@@H]1C[C@H](CC(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)C1(C)C ZINC000363977174 499073372 /nfs/dbraw/zinc/07/33/72/499073372.db2.gz SYCDIXAXMMXETH-WBVHZDCISA-N -1 3 367.449 3.325 20 0 FGADHM CC(C)C[C@@]1(C)CCCN1C(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000295752406 499094675 /nfs/dbraw/zinc/09/46/75/499094675.db2.gz IWKZXZHWAXXBFR-QGZVFWFLSA-N -1 3 356.463 3.238 20 0 FGADHM FC(F)c1n[n-]c(=NC2CC(N3CCC(C(F)(F)F)CC3)C2)s1 ZINC000366857243 499096799 /nfs/dbraw/zinc/09/67/99/499096799.db2.gz KJKCODRRSLEYSC-UHFFFAOYSA-N -1 3 356.364 3.115 20 0 FGADHM O=C(CCc1ccc2ccccc2c1[O-])N1CCC(Cn2cncn2)CC1 ZINC000295824824 499109350 /nfs/dbraw/zinc/10/93/50/499109350.db2.gz VOVVTLAQTRYWTM-UHFFFAOYSA-N -1 3 364.449 3.008 20 0 FGADHM Cc1ccccc1-c1nc(C(=O)[N-]c2ncn(-c3ccccn3)n2)cs1 ZINC000369845159 499137551 /nfs/dbraw/zinc/13/75/51/499137551.db2.gz IHKXJGZFRKDXMG-UHFFFAOYSA-N -1 3 362.418 3.347 20 0 FGADHM COc1cc(S(=O)(=O)[N-]c2ccc(-n3ccc(C)n3)cc2)ccc1F ZINC000579265784 506132720 /nfs/dbraw/zinc/13/27/20/506132720.db2.gz JGHYYQXNYPKGAZ-UHFFFAOYSA-N -1 3 361.398 3.129 20 0 FGADHM C[C@H](NCc1ncc(-c2cccc(Br)c2)o1)[C@H](C)C(=O)[O-] ZINC000570286693 506133227 /nfs/dbraw/zinc/13/32/27/506133227.db2.gz MRJACIOOQCFKEH-UWVGGRQHSA-N -1 3 353.216 3.303 20 0 FGADHM COc1cccc(CS(=O)(=O)[N-]Cc2ncc(-c3ccc(C)cc3)o2)c1 ZINC000372624430 499155301 /nfs/dbraw/zinc/15/53/01/499155301.db2.gz GKVANDHHHHWUIO-UHFFFAOYSA-N -1 3 372.446 3.278 20 0 FGADHM C[C@@H](C(=O)N1CCC(C)CC1)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000372643586 499157195 /nfs/dbraw/zinc/15/71/95/499157195.db2.gz YQMYDSRGDDLHGE-INIZCTEOSA-N -1 3 358.482 3.211 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCCc3cnn(C(C)C)c32)c(Cl)n1 ZINC000372755981 499171154 /nfs/dbraw/zinc/17/11/54/499171154.db2.gz AAIUXEUSMBAHCN-ZDUSSCGKSA-N -1 3 368.890 3.177 20 0 FGADHM CC(C)(O)CON=C([O-])Nc1ccccc1N1CCc2sccc2C1 ZINC000367470505 499203049 /nfs/dbraw/zinc/20/30/49/499203049.db2.gz MTXMSUDAWLCOLZ-UHFFFAOYSA-N -1 3 361.467 3.135 20 0 FGADHM CC(C)(O)CO[N-]C(=O)Nc1ccccc1N1CCc2sccc2C1 ZINC000367470505 499203051 /nfs/dbraw/zinc/20/30/51/499203051.db2.gz MTXMSUDAWLCOLZ-UHFFFAOYSA-N -1 3 361.467 3.135 20 0 FGADHM CSc1nc(=O)[n-]c(C)c1C(=O)N(C)c1nnc(-c2ccccc2)s1 ZINC000370307838 499207991 /nfs/dbraw/zinc/20/79/91/499207991.db2.gz FDFLFVMHAJJAHG-UHFFFAOYSA-N -1 3 373.463 3.008 20 0 FGADHM O=C(N[C@H]1CCCOc2cc(F)ccc21)c1cc(=O)c2ccccc2[n-]1 ZINC000367608789 499217133 /nfs/dbraw/zinc/21/71/33/499217133.db2.gz SCRGAUMXNQGEAC-INIZCTEOSA-N -1 3 352.365 3.311 20 0 FGADHM COc1ccc(/C=C(\C)C(=O)N=c2[nH][n-]c(C)c2-c2ccncc2)cc1F ZINC000370692063 499244754 /nfs/dbraw/zinc/24/47/54/499244754.db2.gz VPMSVXOGLOYBTB-ZRDIBKRKSA-N -1 3 366.396 3.392 20 0 FGADHM C[C@@H](CC1CCCC1)C(=O)NC1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000370723615 499248318 /nfs/dbraw/zinc/24/83/18/499248318.db2.gz WBJHNVBIOCKSJI-HNNXBMFYSA-N -1 3 358.482 3.329 20 0 FGADHM COc1ccc(NC(=O)[C@@H]2CCCN2C(=O)Nc2ccccc2)c([O-])c1 ZINC000579305432 506141120 /nfs/dbraw/zinc/14/11/20/506141120.db2.gz JVSDODPYRORTJN-INIZCTEOSA-N -1 3 355.394 3.036 20 0 FGADHM Cc1nc([C@@H](NC(=O)c2cc([O-])ccc2Cl)c2ccccc2F)no1 ZINC000368160690 499270214 /nfs/dbraw/zinc/27/02/14/499270214.db2.gz PYOJXMNNMHGBSE-HNNXBMFYSA-N -1 3 361.760 3.396 20 0 FGADHM CCc1cc(C(=O)N2CCC[C@H]2c2nnc3n2CCCCC3)ccc1[O-] ZINC000368276043 499280493 /nfs/dbraw/zinc/28/04/93/499280493.db2.gz FZNMFODERNUMBZ-INIZCTEOSA-N -1 3 354.454 3.250 20 0 FGADHM FC(F)(F)c1n[n-]c(=NC2CC(N3CCC(C(F)(F)F)CC3)C2)s1 ZINC000368445570 499296632 /nfs/dbraw/zinc/29/66/32/499296632.db2.gz HRYLTCKUGZDTHU-UHFFFAOYSA-N -1 3 374.354 3.196 20 0 FGADHM CC(C)Oc1nnc(SCc2noc(-c3ccccc3[O-])n2)s1 ZINC000371467628 499330833 /nfs/dbraw/zinc/33/08/33/499330833.db2.gz DSYLWXJJYOJTBQ-UHFFFAOYSA-N -1 3 350.425 3.373 20 0 FGADHM Cc1c(-c2ccncc2)[n-][nH]c1=NC(=O)c1ccc(C(F)(F)F)nc1C ZINC000368824027 499336758 /nfs/dbraw/zinc/33/67/58/499336758.db2.gz QOEUCUHMZIUJOE-UHFFFAOYSA-N -1 3 361.327 3.177 20 0 FGADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]C23CCC(CC2)C3)cc1Cl ZINC000371742043 499360723 /nfs/dbraw/zinc/36/07/23/499360723.db2.gz BVYZIHOHWOSVNK-UHFFFAOYSA-N -1 3 360.838 3.049 20 0 FGADHM COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)[N-]C(C)(C)C(C)C ZINC000576378889 506144229 /nfs/dbraw/zinc/14/42/29/506144229.db2.gz PWEPQWRDZGQBDA-UHFFFAOYSA-N -1 3 362.879 3.020 20 0 FGADHM COc1cccc(C(=O)N[C@H](c2noc(C3CC3)n2)c2ccccc2)c1[O-] ZINC000369300379 499389138 /nfs/dbraw/zinc/38/91/38/499389138.db2.gz WGFSPGVBRGTCFK-INIZCTEOSA-N -1 3 365.389 3.181 20 0 FGADHM Cc1ccc(-c2cc(CN3CCC([C@@H]4OCC[C@H]4C(=O)[O-])CC3)on2)cc1 ZINC000573213883 506145576 /nfs/dbraw/zinc/14/55/76/506145576.db2.gz VUHDMUNUDCDOSW-QUCCMNQESA-N -1 3 370.449 3.352 20 0 FGADHM C[C@H](CNC(=O)c1cc(=O)c2ccccc2[n-]1)c1nc(-c2ccccc2)no1 ZINC000372373599 499426087 /nfs/dbraw/zinc/42/60/87/499426087.db2.gz OKBMVDLHXSDNGB-CYBMUJFWSA-N -1 3 374.400 3.112 20 0 FGADHM O=C(c1ccccc1[O-])N1CCC[C@H]1c1nc(Cc2ccc(F)cc2)no1 ZINC000373172519 499455220 /nfs/dbraw/zinc/45/52/20/499455220.db2.gz DZVXAJAFBUSKQX-INIZCTEOSA-N -1 3 367.380 3.482 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N3CCC[C@@H](OCC4CC4)C3)c[n-]c12 ZINC000373543108 499476041 /nfs/dbraw/zinc/47/60/41/499476041.db2.gz GZTNXWDETUVDMX-OAHLLOKOSA-N -1 3 358.413 3.007 20 0 FGADHM CCc1nc([C@@H]2CCCN(C(=O)c3ccc4c(c3[O-])CCCC4)C2)no1 ZINC000375236607 499498131 /nfs/dbraw/zinc/49/81/31/499498131.db2.gz HCTQABGSBIYHIE-CQSZACIVSA-N -1 3 355.438 3.236 20 0 FGADHM O=C([O-])c1cccc(C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)c1 ZINC000379619338 499542145 /nfs/dbraw/zinc/54/21/45/499542145.db2.gz QEMVWGNIDWEUHR-IBGZPJMESA-N -1 3 352.434 3.169 20 0 FGADHM CC[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000388654911 499551519 /nfs/dbraw/zinc/55/15/19/499551519.db2.gz AYDHSDBXXHGZFD-JOYOIKCWSA-N -1 3 350.253 3.445 20 0 FGADHM CC(C)CSCC[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000397155962 499563942 /nfs/dbraw/zinc/56/39/42/499563942.db2.gz OANNKNCVRXPCQN-UHFFFAOYSA-N -1 3 358.348 3.178 20 0 FGADHM Cn1ccnc1[C@H]1CCCN(Cc2cc(=O)oc3cc([O-])c(Cl)cc23)C1 ZINC000375706673 499547640 /nfs/dbraw/zinc/54/76/40/499547640.db2.gz UEOKJTYVXINQBR-LBPRGKRZSA-N -1 3 373.840 3.265 20 0 FGADHM C[C@H](CC(C)(C)O)[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000384987673 499547997 /nfs/dbraw/zinc/54/79/97/499547997.db2.gz KGOLCHFZNQSUIU-MRVPVSSYSA-N -1 3 359.797 3.187 20 0 FGADHM O=S(=O)([N-]C1CCC(F)(F)CC1)c1ccc(Br)c(F)c1 ZINC000390476554 499554517 /nfs/dbraw/zinc/55/45/17/499554517.db2.gz IOEOYNQWQCSKBO-UHFFFAOYSA-N -1 3 372.206 3.444 20 0 FGADHM Cc1nc(C)n(C[C@@H]2CCCN2C(=O)c2cc([O-])c3ccccc3c2)n1 ZINC000375822040 499559201 /nfs/dbraw/zinc/55/92/01/499559201.db2.gz FEXIBQHAJOQCPB-KRWDZBQOSA-N -1 3 350.422 3.059 20 0 FGADHM CC(C)(C)OC(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)C1CCCCC1 ZINC000392739950 499559393 /nfs/dbraw/zinc/55/93/93/499559393.db2.gz XHCOWRUKGJAPGZ-QGZVFWFLSA-N -1 3 367.511 3.192 20 0 FGADHM C[C@@H](CCCO)C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000395011892 499562472 /nfs/dbraw/zinc/56/24/72/499562472.db2.gz UWNRBWRFLGDZLU-VIFPVBQESA-N -1 3 359.797 3.046 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]CCc2ccc(Br)cc2)c(F)c1 ZINC000404933903 499570914 /nfs/dbraw/zinc/57/09/14/499570914.db2.gz YGZWRKPQAJICHB-UHFFFAOYSA-N -1 3 372.259 3.418 20 0 FGADHM CC(C)[C@@H](NCc1cc(Cl)ccc1I)C(=O)[O-] ZINC000405243168 499571340 /nfs/dbraw/zinc/57/13/40/499571340.db2.gz DMMLFWUZVZNJQP-LLVKDONJSA-N -1 3 367.614 3.143 20 0 FGADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)N1CCCC2(C1)CCCCCC2 ZINC000408349909 499585079 /nfs/dbraw/zinc/58/50/79/499585079.db2.gz WCOISTDGQIULJA-UHFFFAOYSA-N -1 3 359.396 3.470 20 0 FGADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)N1CCCC2(C1)CCCCCC2 ZINC000408349909 499585081 /nfs/dbraw/zinc/58/50/81/499585081.db2.gz WCOISTDGQIULJA-UHFFFAOYSA-N -1 3 359.396 3.470 20 0 FGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N1CCCC2(C1)CCCCCC2 ZINC000408349909 499585082 /nfs/dbraw/zinc/58/50/82/499585082.db2.gz WCOISTDGQIULJA-UHFFFAOYSA-N -1 3 359.396 3.470 20 0 FGADHM Cc1ccc2c(c1)CN(C(=O)c1c[n-]c3c(C)cc(F)cc3c1=O)CCO2 ZINC000376312317 499599804 /nfs/dbraw/zinc/59/98/04/499599804.db2.gz ZCEWATFMRKFVKZ-UHFFFAOYSA-N -1 3 366.392 3.319 20 0 FGADHM COCC[C@H]([N-]S(=O)(=O)c1cccc2c1OC(C)(C)C2)c1ccco1 ZINC000409492807 499601259 /nfs/dbraw/zinc/60/12/59/499601259.db2.gz XYMAGHHPXGIRGV-AWEZNQCLSA-N -1 3 365.451 3.049 20 0 FGADHM CC[C@@H](c1cccc(OC)c1)N(C)C(=O)N=c1cc(OC(F)F)n(C)[n-]1 ZINC000573243512 506151844 /nfs/dbraw/zinc/15/18/44/506151844.db2.gz PYCXRLVXKDNDOP-ZDUSSCGKSA-N -1 3 368.384 3.067 20 0 FGADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCCN(c2ccccc2F)CC1 ZINC000376419028 499607514 /nfs/dbraw/zinc/60/75/14/499607514.db2.gz DKKNEDHKXHOELF-UHFFFAOYSA-N -1 3 365.408 3.020 20 0 FGADHM COc1cc([C@H]2CCCN2[C@@H](C)c2nc(C)cc(=O)[n-]2)cc(OC)c1OC ZINC000376436381 499608624 /nfs/dbraw/zinc/60/86/24/499608624.db2.gz WLCFCJSQVZKGED-DZGCQCFKSA-N -1 3 373.453 3.415 20 0 FGADHM Cn1cc(C(=O)Nc2nnc(-c3cc4ccccc4o3)[n-]2)c(C2CCC2)n1 ZINC000579345420 506152629 /nfs/dbraw/zinc/15/26/29/506152629.db2.gz CECUCGWGFFIBCD-UHFFFAOYSA-N -1 3 362.393 3.471 20 0 FGADHM Cn1cc(C(=O)Nc2nc(-c3cc4ccccc4o3)n[n-]2)c(C2CCC2)n1 ZINC000579345420 506152632 /nfs/dbraw/zinc/15/26/32/506152632.db2.gz CECUCGWGFFIBCD-UHFFFAOYSA-N -1 3 362.393 3.471 20 0 FGADHM Cn1cc(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)c(C2CCC2)n1 ZINC000579345420 506152634 /nfs/dbraw/zinc/15/26/34/506152634.db2.gz CECUCGWGFFIBCD-UHFFFAOYSA-N -1 3 362.393 3.471 20 0 FGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]CCc1cccc2[nH]ccc21 ZINC000409917668 499629386 /nfs/dbraw/zinc/62/93/86/499629386.db2.gz FMPUDKIDNGQHTD-UHFFFAOYSA-N -1 3 364.854 3.351 20 0 FGADHM C[C@H](C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1ccc(C(F)(F)F)cc1 ZINC000410009980 499636320 /nfs/dbraw/zinc/63/63/20/499636320.db2.gz HRONYTJQQKNOCZ-HZMBPMFUSA-N -1 3 353.344 3.444 20 0 FGADHM CCN(C(=O)c1ccc(C)cc1[O-])[C@@H](c1nccn1C)c1cccnc1 ZINC000376819466 499637106 /nfs/dbraw/zinc/63/71/06/499637106.db2.gz RXGINPVMSVDZSX-GOSISDBHSA-N -1 3 350.422 3.081 20 0 FGADHM COC(=O)c1csc(S(=O)(=O)[N-][C@@H](c2ccc(F)cc2)C(C)C)c1 ZINC000410164093 499646304 /nfs/dbraw/zinc/64/63/04/499646304.db2.gz PEVPHUGNFRGHCC-OAHLLOKOSA-N -1 3 371.455 3.349 20 0 FGADHM Cc1cccc2oc(CC[N-]S(=O)(=O)c3cccc(Cl)c3F)nc21 ZINC000410315818 499654537 /nfs/dbraw/zinc/65/45/37/499654537.db2.gz CNYXAUYJUYTPSK-UHFFFAOYSA-N -1 3 368.817 3.450 20 0 FGADHM Cc1ccc(Cl)c(O[C@H](C)C(=O)[N-]c2nncn2-c2cccnc2)c1 ZINC000377196623 499669845 /nfs/dbraw/zinc/66/98/45/499669845.db2.gz XJFUKUFIGSPFAN-GFCCVEGCSA-N -1 3 357.801 3.030 20 0 FGADHM Cc1nc2scc(C3CC3)n2c1CN(CCC(=O)[O-])C1CCOCC1 ZINC000579354080 506154733 /nfs/dbraw/zinc/15/47/33/506154733.db2.gz PHZNCTPMTGOKMF-UHFFFAOYSA-N -1 3 363.483 3.037 20 0 FGADHM COC(=O)c1cccc([N-]C(=O)c2sc([C@H](C)OC)nc2C)c1F ZINC000411066130 499694876 /nfs/dbraw/zinc/69/48/76/499694876.db2.gz JQHVOUCMLINEDG-VIFPVBQESA-N -1 3 352.387 3.337 20 0 FGADHM COC(=O)c1cc([N-]C(=O)c2c(F)ccc(OC)c2OC)c(C)s1 ZINC000411099455 499698001 /nfs/dbraw/zinc/69/80/01/499698001.db2.gz GLENVTZSQGMKNX-UHFFFAOYSA-N -1 3 353.371 3.252 20 0 FGADHM Cc1cncc(-c2cc([N-]C(=O)c3csc([C@@H]4CCCO4)n3)no2)c1 ZINC000377620426 499711609 /nfs/dbraw/zinc/71/16/09/499711609.db2.gz DUAUFDRANIZNRC-ZDUSSCGKSA-N -1 3 356.407 3.027 20 0 FGADHM O=S(=O)([N-]c1ccc(CN2CCOCC2)cc1)c1ccc(C2CC2)cc1 ZINC000576432769 506156524 /nfs/dbraw/zinc/15/65/24/506156524.db2.gz ZBZXFTIUWBMFGE-UHFFFAOYSA-N -1 3 372.490 3.197 20 0 FGADHM CC(C)[C@H]1CCCN(C(=O)C(=O)[N-]c2nccn2-c2ccccc2)CC1 ZINC000411239758 499715837 /nfs/dbraw/zinc/71/58/37/499715837.db2.gz RNXCOAZTXZJUBV-INIZCTEOSA-N -1 3 354.454 3.096 20 0 FGADHM CC(=O)c1ccc(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)cc1[O-] ZINC000411315360 499725140 /nfs/dbraw/zinc/72/51/40/499725140.db2.gz HVNJHJXGWYYHDR-IBGZPJMESA-N -1 3 352.434 3.162 20 0 FGADHM CC[C@@H]1CCCC[C@@H]1N(C)C(=O)C(=O)[N-]c1nccn1-c1ccccc1 ZINC000411423738 499738376 /nfs/dbraw/zinc/73/83/76/499738376.db2.gz YMWGZHKTIHAULR-WBVHZDCISA-N -1 3 354.454 3.238 20 0 FGADHM C[C@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)c1cc([O-])ccc1Cl ZINC000377891259 499745836 /nfs/dbraw/zinc/74/58/36/499745836.db2.gz CMNLDWCOASMSRC-UGSOOPFHSA-N -1 3 359.857 3.081 20 0 FGADHM CC1CCC(C)(CNC(=O)C(=O)[N-]c2nccn2-c2ccccc2)CC1 ZINC000411479838 499745899 /nfs/dbraw/zinc/74/58/99/499745899.db2.gz MUJFJZDIBFINRY-UHFFFAOYSA-N -1 3 354.454 3.143 20 0 FGADHM C[C@H](C1CCCCC1)N(C)C(=O)C(=O)[N-]c1nccn1-c1ccccc1 ZINC000411507446 499748993 /nfs/dbraw/zinc/74/89/93/499748993.db2.gz ITQBXBJAAWNTMZ-OAHLLOKOSA-N -1 3 354.454 3.238 20 0 FGADHM C[C@H]([N-]S(=O)(=O)CC1CCCC1)c1nc(-c2ccc(F)cc2)no1 ZINC000378148342 499760906 /nfs/dbraw/zinc/76/09/06/499760906.db2.gz JXXGMQVRDRCQDV-NSHDSACASA-N -1 3 353.419 3.046 20 0 FGADHM CCCc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)C)cc2F)cc1 ZINC000414397161 499786696 /nfs/dbraw/zinc/78/66/96/499786696.db2.gz OPGDAKAOGBLPHT-UHFFFAOYSA-N -1 3 364.442 3.281 20 0 FGADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc([C@H](C)C(=O)OC)cc2)cc1 ZINC000414399351 499786936 /nfs/dbraw/zinc/78/69/36/499786936.db2.gz SJLRAXYAYYEFOV-ZDUSSCGKSA-N -1 3 363.435 3.163 20 0 FGADHM CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)c(F)c1 ZINC000414415551 499789115 /nfs/dbraw/zinc/78/91/15/499789115.db2.gz USLSNHVJKZZOHS-LLVKDONJSA-N -1 3 351.399 3.349 20 0 FGADHM CC(C)c1ccc(O[C@H](C)CNC(=O)c2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC000579375179 506159732 /nfs/dbraw/zinc/15/97/32/506159732.db2.gz ZRNHJKCAFWODQH-CYBMUJFWSA-N -1 3 355.438 3.380 20 0 FGADHM C[C@H](CCc1ccccc1)N[C@H]1CCN([C@H](C(=O)[O-])c2ccccc2)C1=O ZINC000414659692 499818190 /nfs/dbraw/zinc/81/81/90/499818190.db2.gz OHPFHMWFNROAMW-UXPWSPDFSA-N -1 3 366.461 3.024 20 0 FGADHM CC[C@H](Cc1ccccc1)N[C@@H]1CCN([C@H](C(=O)[O-])c2ccccc2)C1=O ZINC000414659669 499818208 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20 0 FGADHM CC1(C)CN(C(=O)c2c[n-]c3c(Cl)cccc3c2=O)[C@@H]1[C@H]1CCCO1 ZINC000412352217 499847818 /nfs/dbraw/zinc/84/78/18/499847818.db2.gz CMQROYMGTQVFCM-RHSMWYFYSA-N -1 3 360.841 3.211 20 0 FGADHM CC1(C)CN(C(=O)c2cnc3c(Cl)cccc3c2[O-])[C@@H]1[C@H]1CCCO1 ZINC000412352217 499847819 /nfs/dbraw/zinc/84/78/19/499847819.db2.gz CMQROYMGTQVFCM-RHSMWYFYSA-N -1 3 360.841 3.211 20 0 FGADHM O=S(=O)(Cc1cccc(Cl)c1)[N-]c1cncc(Br)c1 ZINC000579400191 506165487 /nfs/dbraw/zinc/16/54/87/506165487.db2.gz KRDGZHADKMTGLB-UHFFFAOYSA-N -1 3 361.648 3.439 20 0 FGADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)[C@@H]3CCCC[C@H]3C)c2)[n-]1 ZINC000424853237 499955823 /nfs/dbraw/zinc/95/58/23/499955823.db2.gz MILCLQDUJYLURZ-CZUORRHYSA-N -1 3 370.453 3.091 20 0 FGADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)[C@@H]3CCCC[C@H]3C)c2)n[n-]1 ZINC000424853237 499955825 /nfs/dbraw/zinc/95/58/25/499955825.db2.gz MILCLQDUJYLURZ-CZUORRHYSA-N -1 3 370.453 3.091 20 0 FGADHM CO[C@@H](Cc1ccccc1)CS(=O)(=O)[N-]c1cccc(SC)c1 ZINC000421140769 499969729 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FGADHM CCOc1ccc(CN[C@H](C(=O)[O-])c2ccc(OC)c(F)c2)cc1OC ZINC000426777065 500319031 /nfs/dbraw/zinc/31/90/31/500319031.db2.gz KEMXSPAJRAAGQA-SFHVURJKSA-N -1 3 363.385 3.157 20 0 FGADHM O=C([O-])[C@@H](Cc1ccco1)NCc1cc(Br)ccc1Cl ZINC000426812053 500323857 /nfs/dbraw/zinc/32/38/57/500323857.db2.gz WKFUWGDQQWUKKK-CYBMUJFWSA-N -1 3 358.619 3.481 20 0 FGADHM FC(F)(F)c1[n-]c(=NCCCn2cccn2)sc1Br ZINC000418828848 500325358 /nfs/dbraw/zinc/32/53/58/500325358.db2.gz IGWODHGAXGYWBD-UHFFFAOYSA-N -1 3 355.183 3.045 20 0 FGADHM CCN1CCC(N=c2[n-]c(C(F)(F)F)c(Br)s2)CC1 ZINC000418834778 500325784 /nfs/dbraw/zinc/32/57/84/500325784.db2.gz RYXBCGZQLCUNBB-UHFFFAOYSA-N -1 3 358.227 3.243 20 0 FGADHM O=C(Nc1ccc2c(c1)C(=O)NC2)c1c[n-]nc1-c1cccc(Cl)c1 ZINC000426861902 500330488 /nfs/dbraw/zinc/33/04/88/500330488.db2.gz NWRQQXRNZKUGKX-UHFFFAOYSA-N -1 3 352.781 3.226 20 0 FGADHM CC(=O)N(C)c1ccc(C(=O)Nc2n[n-]c(-c3ccccc3Cl)n2)cc1 ZINC000426874122 500331560 /nfs/dbraw/zinc/33/15/60/500331560.db2.gz GLWPNFUTAOYGRG-UHFFFAOYSA-N -1 3 369.812 3.360 20 0 FGADHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc(F)cc2NC2CC2)cc1 ZINC000426916052 500336437 /nfs/dbraw/zinc/33/64/37/500336437.db2.gz IKAPFROGLOSDBL-UHFFFAOYSA-N -1 3 363.414 3.024 20 0 FGADHM CCOC(=O)[C@@H](C)C[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000431313048 500362054 /nfs/dbraw/zinc/36/20/54/500362054.db2.gz LAWKCCKEPCICGU-VIFPVBQESA-N -1 3 361.872 3.032 20 0 FGADHM Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)c3cc([O-])ccc3Cl)C2)n1 ZINC000431329417 500364291 /nfs/dbraw/zinc/36/42/91/500364291.db2.gz RRFSMZMRDCOHCZ-ZDUSSCGKSA-N -1 3 373.840 3.240 20 0 FGADHM C[C@@H]1[C@H](C(=O)Nc2ccc(F)c([N-]S(C)(=O)=O)c2)[C@H]1c1ccccc1 ZINC000431368319 500368740 /nfs/dbraw/zinc/36/87/40/500368740.db2.gz JNADCCRWTSBOQO-JECHBYEQSA-N -1 3 362.426 3.185 20 0 FGADHM Cc1cc(C=C(Cc2ccccc2)c2nccc(=O)[n-]2)ccc1-n1cncn1 ZINC000427287284 500378022 /nfs/dbraw/zinc/37/80/22/500378022.db2.gz FVYBNHXHUGOCSK-UYRXBGFRSA-N -1 3 369.428 3.442 20 0 FGADHM CC(C)N(CC(F)(F)F)C(=O)CSCc1cc(=O)[n-]c(C2CC2)n1 ZINC000419580525 500380904 /nfs/dbraw/zinc/38/09/04/500380904.db2.gz BIKGMAAQFTTYKU-UHFFFAOYSA-N -1 3 363.405 3.092 20 0 FGADHM COc1ccc(CN2CCCN(C(=O)c3cc([O-])ccc3Cl)CC2)cc1 ZINC000431511489 500386551 /nfs/dbraw/zinc/38/65/51/500386551.db2.gz ASAXPCRAQIOZMO-UHFFFAOYSA-N -1 3 374.868 3.402 20 0 FGADHM COc1cc(NC(=O)c2cc([O-])ccc2Cl)ccc1N1CCCC1=O ZINC000431530297 500388660 /nfs/dbraw/zinc/38/86/60/500388660.db2.gz SCCNZCIWOSZCEL-UHFFFAOYSA-N -1 3 360.797 3.433 20 0 FGADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)[C@@H](CC(C)C)OC)[nH][n-]1 ZINC000419881575 500405639 /nfs/dbraw/zinc/40/56/39/500405639.db2.gz UOGNCRBRXVIPOG-OAHLLOKOSA-N -1 3 351.834 3.160 20 0 FGADHM CCC1(CC)CN(C(=O)CNC(=O)c2cccc([O-])c2)c2ccccc21 ZINC000427621695 500412340 /nfs/dbraw/zinc/41/23/40/500412340.db2.gz OGYWXLPAHIATQR-UHFFFAOYSA-N -1 3 352.434 3.227 20 0 FGADHM O=C(Nc1ccc(NC(=O)[C@H]2CCCO2)cc1)c1cc([O-])ccc1Cl ZINC000431895089 500440507 /nfs/dbraw/zinc/44/05/07/500440507.db2.gz XZIVTLNXQHZIJM-MRXNPFEDSA-N -1 3 360.797 3.415 20 0 FGADHM Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(CN(C)C)cc2F)c(F)c1 ZINC000424063270 500445673 /nfs/dbraw/zinc/44/56/73/500445673.db2.gz ILRFQFJSKGAGDA-UHFFFAOYSA-N -1 3 358.385 3.275 20 0 FGADHM COc1ccc(Cn2cc(C(=O)Nc3c(C)cccc3[O-])cn2)cc1OC ZINC000428021929 500458896 /nfs/dbraw/zinc/45/88/96/500458896.db2.gz PLIDCOWOKCVEMT-UHFFFAOYSA-N -1 3 367.405 3.215 20 0 FGADHM CCN=c1[n-]c(C(=O)N(C)Cc2ccc(Br)c(F)c2)cs1 ZINC000428045269 500462146 /nfs/dbraw/zinc/46/21/46/500462146.db2.gz PSUGUUVAXBKQBW-UHFFFAOYSA-N -1 3 372.263 3.171 20 0 FGADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N(C)[C@H]3CC3(C)C)cs2)c1 ZINC000428093096 500468105 /nfs/dbraw/zinc/46/81/05/500468105.db2.gz REPDDGWQZANOTF-HNNXBMFYSA-N -1 3 373.478 3.209 20 0 FGADHM CC(C)C[C@@H](CNC(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1)C(=O)[O-] ZINC000424241231 500473849 /nfs/dbraw/zinc/47/38/49/500473849.db2.gz GJCAFHQMAORFRY-XLIONFOSSA-N -1 3 374.525 3.193 20 0 FGADHM CC[C@@H]1c2ccsc2CCN1C(=O)CN1CCCC[C@@H]1CCC(=O)[O-] ZINC000424251023 500475290 /nfs/dbraw/zinc/47/52/90/500475290.db2.gz CATXIZYGRFSOGO-GDBMZVCRSA-N -1 3 364.511 3.303 20 0 FGADHM CC(C)c1n[n-]c(=NCCCCN2CCN(c3ccccc3)CC2)s1 ZINC000432145478 500476318 /nfs/dbraw/zinc/47/63/18/500476318.db2.gz SOBJWIAQNXXBAW-UHFFFAOYSA-N -1 3 359.543 3.098 20 0 FGADHM O=C([O-])CC[C@@H]1CCCCN1CC(=O)NCC1(c2ccccc2)CCCC1 ZINC000424262174 500477538 /nfs/dbraw/zinc/47/75/38/500477538.db2.gz QEFAWRFUGWEHBX-IBGZPJMESA-N -1 3 372.509 3.334 20 0 FGADHM CO[C@H](CC(C)C)CS(=O)(=O)[N-][C@@H](C)c1nc(C2CCCCC2)no1 ZINC000420681739 500487508 /nfs/dbraw/zinc/48/75/08/500487508.db2.gz ZZCALCFCFSKYHG-DZGCQCFKSA-N -1 3 373.519 3.159 20 0 FGADHM CS[C@H](C[N-]S(=O)(=O)c1cc(F)ccc1OC(F)F)C(C)(C)C ZINC000420683416 500488204 /nfs/dbraw/zinc/48/82/04/500488204.db2.gz BWWKTTOHPCAKCB-GFCCVEGCSA-N -1 3 371.446 3.483 20 0 FGADHM CC[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc(F)ccc1OC(F)F ZINC000420690850 500488758 /nfs/dbraw/zinc/48/87/58/500488758.db2.gz PILIEDLGEKHFOQ-QMMMGPOBSA-N -1 3 365.295 3.436 20 0 FGADHM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F)[C@@H]1CCCO1 ZINC000420695288 500489138 /nfs/dbraw/zinc/48/91/38/500489138.db2.gz NCGHBPVAADCOQX-MNOVXSKESA-N -1 3 369.817 3.177 20 0 FGADHM O=S(=O)([N-]C[C@@H]1CCCS1)c1cc(Cl)ccc1OC(F)F ZINC000420705018 500490179 /nfs/dbraw/zinc/49/01/79/500490179.db2.gz WFSNJTGGFKWTCZ-VIFPVBQESA-N -1 3 357.831 3.115 20 0 FGADHM C[C@@H]1COCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1OCCC1CC1 ZINC000432294325 500494616 /nfs/dbraw/zinc/49/46/16/500494616.db2.gz RBIWWMSJDKKWJK-DOMZBBRYSA-N -1 3 373.902 3.222 20 0 FGADHM C[C@@H](c1ccccc1)N1CCC(NC(=O)NCCC(C)(C)C(=O)[O-])CC1 ZINC000424409218 500498867 /nfs/dbraw/zinc/49/88/67/500498867.db2.gz LZHSQPGPEGKEFM-HNNXBMFYSA-N -1 3 361.486 3.012 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3)[n-]c21 ZINC000428517206 500519319 /nfs/dbraw/zinc/51/93/19/500519319.db2.gz LPZIFZOABKJVMB-JTQLQIEISA-N -1 3 373.796 3.409 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@H](C)Oc3ccc(Cl)cc3)nc21 ZINC000428517206 500519320 /nfs/dbraw/zinc/51/93/20/500519320.db2.gz LPZIFZOABKJVMB-JTQLQIEISA-N -1 3 373.796 3.409 20 0 FGADHM CCc1cccc(S(=O)(=O)[N-]c2cccc3c2OCC[C@H]3N(C)C)c1 ZINC000432488134 500521851 /nfs/dbraw/zinc/52/18/51/500521851.db2.gz CPZQMXBFEZXQED-GOSISDBHSA-N -1 3 360.479 3.435 20 0 FGADHM COC(=O)c1cnc(SCCC(=O)Nc2cccc(C(F)(F)F)c2)[n-]1 ZINC000432668041 500546488 /nfs/dbraw/zinc/54/64/88/500546488.db2.gz IJAACLFMBYLAGK-UHFFFAOYSA-N -1 3 373.356 3.336 20 0 FGADHM COCC[C@@H]([N-]S(=O)(=O)c1ccc(OC)cc1Cl)c1ccc(C)o1 ZINC000570599768 506202335 /nfs/dbraw/zinc/20/23/35/506202335.db2.gz PKIVJGIVAMNQLB-CQSZACIVSA-N -1 3 373.858 3.306 20 0 FGADHM O=c1nc(CN2CC[C@]23CCOC3)[n-]c2sc(-c3ccccc3)cc21 ZINC000421010922 500553038 /nfs/dbraw/zinc/55/30/38/500553038.db2.gz CYTGLCVUCFGVHZ-LJQANCHMSA-N -1 3 353.447 3.429 20 0 FGADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)NC3)cc1C(C)C ZINC000432777552 500562314 /nfs/dbraw/zinc/56/23/14/500562314.db2.gz AYGGJOJVHVTAFJ-UHFFFAOYSA-N -1 3 374.462 3.171 20 0 FGADHM Cc1ccc2c(CN3CCCC[C@H]3CCS(C)(=O)=O)ccc([O-])c2n1 ZINC000428857038 500567006 /nfs/dbraw/zinc/56/70/06/500567006.db2.gz PGHBGJQSGQMWTG-INIZCTEOSA-N -1 3 362.495 3.038 20 0 FGADHM CCOC(=O)[C@@H](Cc1ccccc1Cl)NC(=O)c1ccc([O-])c(C)c1 ZINC000436935196 500574014 /nfs/dbraw/zinc/57/40/14/500574014.db2.gz VSFUPDPIHISSSZ-MRXNPFEDSA-N -1 3 361.825 3.258 20 0 FGADHM Cc1cc(C(=O)N2CSC[C@@H]2C(=O)N[C@H](C)CCC(C)C)ccc1[O-] ZINC000436940426 500575162 /nfs/dbraw/zinc/57/51/62/500575162.db2.gz XAGAVMBBVPTWKX-GDBMZVCRSA-N -1 3 364.511 3.157 20 0 FGADHM COc1cccc(C(=O)Nc2cccc(CN3C[C@@H](C)O[C@H](C)C3)c2)c1[O-] ZINC000436941150 500575722 /nfs/dbraw/zinc/57/57/22/500575722.db2.gz CBEXGFGRFHASKC-HUUCEWRRSA-N -1 3 370.449 3.262 20 0 FGADHM Cc1ccc([O-])c(-c2nc(Cc3cc(Br)c[nH]c3=O)no2)c1 ZINC000436948921 500576968 /nfs/dbraw/zinc/57/69/68/500576968.db2.gz QHEWUDGGAKUFSN-UHFFFAOYSA-N -1 3 362.183 3.205 20 0 FGADHM COc1ccc(C(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)c([O-])c1 ZINC000436949576 500577525 /nfs/dbraw/zinc/57/75/25/500577525.db2.gz MSZCGPJCVIBBOL-LJQANCHMSA-N -1 3 354.450 3.276 20 0 FGADHM CC[C@@H](NC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-])C(C)(C)C ZINC000436960632 500579894 /nfs/dbraw/zinc/57/98/94/500579894.db2.gz KUUTUTNZLHXWLE-MRXNPFEDSA-N -1 3 359.426 3.495 20 0 FGADHM Cc1ccccc1[C@H]1C(=O)NCCN1C(=O)c1ccc(C(C)C)cc1[O-] ZINC000436960105 500580147 /nfs/dbraw/zinc/58/01/47/500580147.db2.gz POMBHLHOYFQRPC-IBGZPJMESA-N -1 3 352.434 3.137 20 0 FGADHM CN1CC[C@H]2CCN(C(=O)c3cc(Cc4ccccc4)ccc3[O-])[C@H]2C1 ZINC000436963830 500581081 /nfs/dbraw/zinc/58/10/81/500581081.db2.gz HPKFFAGXAWPOFI-ICSRJNTNSA-N -1 3 350.462 3.149 20 0 FGADHM COc1ccc(OCCS(=O)(=O)[N-]c2cc(C)cc(OC)c2C)cc1 ZINC000447265019 500581455 /nfs/dbraw/zinc/58/14/55/500581455.db2.gz PEQMTOBNLCFVBA-UHFFFAOYSA-N -1 3 365.451 3.141 20 0 FGADHM CCO[C@H]1COCC[C@H]1NC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436967869 500581517 /nfs/dbraw/zinc/58/15/17/500581517.db2.gz ZMTPUNMCFCXXRS-MJGOQNOKSA-N -1 3 357.406 3.108 20 0 FGADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2ccc(C(F)(F)F)s2)CC1 ZINC000436966009 500581752 /nfs/dbraw/zinc/58/17/52/500581752.db2.gz TZTKDYFKSBLAFH-UHFFFAOYSA-N -1 3 370.396 3.431 20 0 FGADHM CC[C@H]1CCCC[C@H]1C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436970836 500582338 /nfs/dbraw/zinc/58/23/38/500582338.db2.gz GUILOVOPPIWRHU-DOTOQJQBSA-N -1 3 358.482 3.329 20 0 FGADHM CC(=O)N1CC[C@@H](NC(=O)c2ccc3c(c2[O-])CCCC3)c2ccccc21 ZINC000436974229 500583574 /nfs/dbraw/zinc/58/35/74/500583574.db2.gz XDECGSBRDOGAAD-LJQANCHMSA-N -1 3 364.445 3.499 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N2CC[C@](C)(c3ccccc3)C2)c([O-])c1 ZINC000436974773 500584532 /nfs/dbraw/zinc/58/45/32/500584532.db2.gz BPKJZAHOBFBFHI-QFIPXVFZSA-N -1 3 366.461 3.011 20 0 FGADHM Cc1cccc(C)c1[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436975993 500584775 /nfs/dbraw/zinc/58/47/75/500584775.db2.gz ACPANGXSPUFGLC-WMZOPIPTSA-N -1 3 366.461 3.491 20 0 FGADHM C/C=C/c1ccc(NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000436982966 500585824 /nfs/dbraw/zinc/58/58/24/500585824.db2.gz IVWKFGMMMDNXKG-NSCUHMNNSA-N -1 3 365.433 3.415 20 0 FGADHM COc1c2ccccc2oc1CNC(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000436984080 500586112 /nfs/dbraw/zinc/58/61/12/500586112.db2.gz YOPNFLYPVLMOPA-UHFFFAOYSA-N -1 3 354.362 3.035 20 0 FGADHM CCOC(=O)[C@@]1(Cc2ccccc2)CCCN1C(=O)c1cccc(C)c1[O-] ZINC000437003773 500591164 /nfs/dbraw/zinc/59/11/64/500591164.db2.gz SISYFONNBORCFT-QFIPXVFZSA-N -1 3 367.445 3.481 20 0 FGADHM CC(C)c1ccc(C(=O)N[C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)c([O-])c1 ZINC000437001872 500591580 /nfs/dbraw/zinc/59/15/80/500591580.db2.gz LKQSBZLEASUZHA-SJORKVTESA-N -1 3 358.482 3.427 20 0 FGADHM CC(C)[C@@H](Cc1ccc(F)cc1)N(C)C(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000437102957 500601967 /nfs/dbraw/zinc/60/19/67/500601967.db2.gz YEQYNLZHRFLPLD-GOSISDBHSA-N -1 3 368.408 3.049 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1cc(F)cc(Cl)c1)c1nc2c(s1)CCC2 ZINC000570617172 506205779 /nfs/dbraw/zinc/20/57/79/506205779.db2.gz NVUQXYPSEJIFSI-QMMMGPOBSA-N -1 3 360.863 3.464 20 0 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Cn1ncc2c1ncc(C(=O)N1C[C@@H](C(C)(C)C)c3ccccc31)c2[O-] ZINC000444628683 500869342 /nfs/dbraw/zinc/86/93/42/500869342.db2.gz DMXOVIKXVRADOO-OAHLLOKOSA-N -1 3 350.422 3.464 20 0 FGADHM Cc1nc(C[N-]S(=O)(=O)c2csc(-c3ccccc3)n2)sc1C ZINC000439231333 500872171 /nfs/dbraw/zinc/87/21/71/500872171.db2.gz BZMQFVUAHAEZLK-UHFFFAOYSA-N -1 3 365.505 3.362 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2CCCCN2C2CC2)c(Cl)cc1F ZINC000434773345 500892170 /nfs/dbraw/zinc/89/21/70/500892170.db2.gz HTOWVGJKZRRBHQ-ZDUSSCGKSA-N -1 3 360.882 3.083 20 0 FGADHM Cc1ncc(CNC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)c(=O)[n-]1 ZINC000445005105 500931716 /nfs/dbraw/zinc/93/17/16/500931716.db2.gz BYJJZEHRWWHYFV-MRVPVSSYSA-N -1 3 355.225 3.358 20 0 FGADHM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@H](C)c2ccc(C)cc2)cc1F ZINC000445046332 500937375 /nfs/dbraw/zinc/93/73/75/500937375.db2.gz FRNHRMLLGPXEMC-ZDUSSCGKSA-N -1 3 365.426 3.003 20 0 FGADHM CCn1cc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccc3ccccc3c2)nc1C ZINC000435441263 500978080 /nfs/dbraw/zinc/97/80/80/500978080.db2.gz DUHOWNURDOKOHL-ZWKOTPCHSA-N -1 3 355.463 3.199 20 0 FGADHM CCOc1ccc([C@@H]2C[C@H]2[N-]S(=O)(=O)c2cc(F)cc(F)c2)cc1 ZINC000435443197 500978827 /nfs/dbraw/zinc/97/88/27/500978827.db2.gz PEVDNPUHDXTHPP-DLBZAZTESA-N -1 3 353.390 3.198 20 0 FGADHM CCOC(=O)c1cnc(C)c(-c2nc(-c3ccc([O-])c(OCC)c3)no2)c1 ZINC000445432020 500984515 /nfs/dbraw/zinc/98/45/15/500984515.db2.gz QOKWGXXQVQHPHT-UHFFFAOYSA-N -1 3 369.377 3.388 20 0 FGADHM COc1cc(OC)cc(-c2noc(-c3cc(OC)c([O-])c(OC)c3)n2)c1 ZINC000445461159 500989863 /nfs/dbraw/zinc/98/98/63/500989863.db2.gz FRBRMDPROSZFGL-UHFFFAOYSA-N -1 3 358.350 3.144 20 0 FGADHM CCOC(=O)c1nnsc1[N-]C(=O)[C@@H](C)Oc1cccc2ccccc21 ZINC000435541678 500989872 /nfs/dbraw/zinc/98/98/72/500989872.db2.gz JBFFPEVTGBKBPY-LLVKDONJSA-N -1 3 371.418 3.274 20 0 FGADHM Cc1ccc(Sc2nsc([N-]C(=O)c3nccn4ccnc34)n2)cc1 ZINC000440318069 500995516 /nfs/dbraw/zinc/99/55/16/500995516.db2.gz SXFJXHJGKYJFCI-UHFFFAOYSA-N -1 3 368.447 3.293 20 0 FGADHM O=S(=O)([N-][C@H]1C[C@H](c2cccc(F)c2)C1)c1cc(F)c(F)c(F)c1 ZINC000435592982 500998243 /nfs/dbraw/zinc/99/82/43/500998243.db2.gz NWZCBXIQTVJHTL-UMSPYCQHSA-N -1 3 359.344 3.468 20 0 FGADHM COc1ccccc1O[C@@H](C)C[N-]S(=O)(=O)c1cc(C)c(F)cc1F ZINC000440400080 501004923 /nfs/dbraw/zinc/00/49/23/501004923.db2.gz UXYYUOOEXOAEDY-LBPRGKRZSA-N -1 3 371.405 3.028 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]C[C@H](C)Oc2ccccc2F)c(F)cc1F ZINC000440404566 501005773 /nfs/dbraw/zinc/00/57/73/501005773.db2.gz URBIACJZSNFXRI-NSHDSACASA-N -1 3 359.369 3.158 20 0 FGADHM O=C1[N-][C@@](c2ccccc2)(C(F)(F)F)C(=O)N1Cc1cc(F)cc(F)c1 ZINC000445607561 501009753 /nfs/dbraw/zinc/00/97/53/501009753.db2.gz IEAVEIPHYOKVCD-MRXNPFEDSA-N -1 3 370.277 3.474 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)c2cccc(C)c2F)c1-c1ccc2c(c1)OCCO2 ZINC000435704276 501014682 /nfs/dbraw/zinc/01/46/82/501014682.db2.gz DOUOYIAFSQDRDZ-UHFFFAOYSA-N -1 3 367.380 3.278 20 0 FGADHM CCO[C@H]1CCN(Cc2ccc(OC)c([O-])c2Br)C[C@@H]1C ZINC000449511764 501022201 /nfs/dbraw/zinc/02/22/01/501022201.db2.gz YWTHDEWBLMQLNK-AAEUAGOBSA-N -1 3 358.276 3.410 20 0 FGADHM CN(C)C1(C[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CCC1 ZINC000445737165 501026440 /nfs/dbraw/zinc/02/64/40/501026440.db2.gz ZQXQIIYAZRPSKG-UHFFFAOYSA-N -1 3 370.824 3.121 20 0 FGADHM CC1(C)CCC[C@](O)(C[N-]S(=O)(=O)c2ccccc2C(F)(F)F)C1 ZINC000445738371 501026581 /nfs/dbraw/zinc/02/65/81/501026581.db2.gz GZKWBNREUJQTEZ-OAHLLOKOSA-N -1 3 365.417 3.315 20 0 FGADHM CCN(Cc1ccccc1)C(=O)Cc1noc(-c2cc(OC)ccc2[O-])n1 ZINC000445778675 501031179 /nfs/dbraw/zinc/03/11/79/501031179.db2.gz AGMDUPRCGHCTOG-UHFFFAOYSA-N -1 3 367.405 3.042 20 0 FGADHM [O-]c1cccc(/C=C/c2nc(-c3ccc(Cn4cncn4)c(F)c3)no2)c1 ZINC000435964751 501051500 /nfs/dbraw/zinc/05/15/00/501051500.db2.gz XVBBPPOIRXZEBJ-QPJJXVBHSA-N -1 3 363.352 3.392 20 0 FGADHM COc1cc(C(=O)N[C@@H]2C[C@H]2c2ccccc2Br)ccc1[O-] ZINC000435969055 501052343 /nfs/dbraw/zinc/05/23/43/501052343.db2.gz XVALGTNJAIMCEA-GXTWGEPZSA-N -1 3 362.223 3.449 20 0 FGADHM O=C(N[C@@H]1C[C@H]1c1ccccc1Br)c1ccc2n[n-]nc2c1 ZINC000435971935 501052669 /nfs/dbraw/zinc/05/26/69/501052669.db2.gz ZSKZKGLIGQKJPF-SMDDNHRTSA-N -1 3 357.211 3.006 20 0 FGADHM COC(=O)c1cccc(F)c1[N-]C(=O)c1cc(COC(C)(C)C)on1 ZINC000446101444 501074606 /nfs/dbraw/zinc/07/46/06/501074606.db2.gz YYMSVVMVFSQONB-UHFFFAOYSA-N -1 3 350.346 3.168 20 0 FGADHM CCCn1c(=O)[n-]nc1S[C@H](Cc1cccc(Cl)c1F)C(C)=O ZINC000436128495 501075362 /nfs/dbraw/zinc/07/53/62/501075362.db2.gz HLPZOGPONVKDCU-GFCCVEGCSA-N -1 3 357.838 3.479 20 0 FGADHM O=C(Nc1ccccc1[O-])[C@@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000446109159 501075920 /nfs/dbraw/zinc/07/59/20/501075920.db2.gz QIIJIZQTYPJPLE-LLVKDONJSA-N -1 3 361.195 3.219 20 0 FGADHM C[S@](=O)c1ccc(CC(=O)Nc2cc(C(F)(F)F)ccc2[O-])cc1 ZINC000436152041 501079151 /nfs/dbraw/zinc/07/91/51/501079151.db2.gz MRLXZBMTQWJXEP-DEOSSOPVSA-N -1 3 357.353 3.330 20 0 FGADHM CCC[C@@H]1CCC[C@H]1C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1[O-] ZINC000449811743 501094870 /nfs/dbraw/zinc/09/48/70/501094870.db2.gz SGXDBFHEFYLSAR-UKRRQHHQSA-N -1 3 366.483 3.087 20 0 FGADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)[C@@H]2CCC[C@H](OC)C2)[nH][n-]1 ZINC000449841376 501104161 /nfs/dbraw/zinc/10/41/61/501104161.db2.gz UZKUPELLZJRXSF-YPMHNXCESA-N -1 3 363.845 3.304 20 0 FGADHM CCC[C@@H]1[C@H](C)CCCN1C(=O)C(=O)[N-]c1sccc1C(=O)OCC ZINC000441368642 501128943 /nfs/dbraw/zinc/12/89/43/501128943.db2.gz SPQLNYLHMVWFSZ-TZMCWYRMSA-N -1 3 366.483 3.291 20 0 FGADHM CCOc1nc2cc(C(=O)NC[C@H]3CCO[C@H]3c3ccccc3)ccc2[n-]1 ZINC000449938393 501131357 /nfs/dbraw/zinc/13/13/57/501131357.db2.gz JJFYXAUTMWZNGN-APWZRJJASA-N -1 3 365.433 3.469 20 0 FGADHM CCOc1nc2ccc(C(=O)NC[C@H]3CCO[C@H]3c3ccccc3)cc2[n-]1 ZINC000449938393 501131360 /nfs/dbraw/zinc/13/13/60/501131360.db2.gz JJFYXAUTMWZNGN-APWZRJJASA-N -1 3 365.433 3.469 20 0 FGADHM Cc1ccc(C(=O)N[C@H](Cn2ccccc2=O)c2ccccc2)c([O-])c1C ZINC000436508586 501143349 /nfs/dbraw/zinc/14/33/49/501143349.db2.gz CLOOXYPIDOSZDE-LJQANCHMSA-N -1 3 362.429 3.342 20 0 FGADHM Cc1ccc(C(=O)N(C)CC(=O)N(C)[C@@H](C)c2ccccc2)c([O-])c1C ZINC000436512291 501144505 /nfs/dbraw/zinc/14/45/05/501144505.db2.gz KDJKMZORCYMRBL-INIZCTEOSA-N -1 3 354.450 3.301 20 0 FGADHM COc1ccc(CN(CC2CC2)C(=O)c2cccc(OC)c2[O-])c(OC)c1 ZINC000436520012 501146215 /nfs/dbraw/zinc/14/62/15/501146215.db2.gz BUXNFEHAFKGNPA-UHFFFAOYSA-N -1 3 371.433 3.470 20 0 FGADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NC1(C(F)F)CC1 ZINC000436519387 501146350 /nfs/dbraw/zinc/14/63/50/501146350.db2.gz WZGNLMCDVFGYAY-MRXNPFEDSA-N -1 3 374.387 3.167 20 0 FGADHM CCCN(C(=O)c1cc(OC)c([O-])c(OC)c1)[C@@H]1C[C@H](OCC)C1(C)C ZINC000436523287 501147510 /nfs/dbraw/zinc/14/75/10/501147510.db2.gz RTIKVELLPXIOSF-SJORKVTESA-N -1 3 365.470 3.465 20 0 FGADHM C[C@@H]1[C@@H](C)[S@](=O)CCN1C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436526990 501147854 /nfs/dbraw/zinc/14/78/54/501147854.db2.gz GHSWRBSHVKOICL-KVUUWBKYSA-N -1 3 371.502 3.159 20 0 FGADHM C[C@H](NC(=O)c1cc(Oc2ccccc2)ccc1[O-])C(=O)NC(C)(C)C ZINC000436532553 501149025 /nfs/dbraw/zinc/14/90/25/501149025.db2.gz KNAYUTYQBXSMRH-ZDUSSCGKSA-N -1 3 356.422 3.218 20 0 FGADHM CC(C)c1ccc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2=O)c([O-])c1 ZINC000436538748 501151148 /nfs/dbraw/zinc/15/11/48/501151148.db2.gz JWGHYZKUEFECHB-GOSISDBHSA-N -1 3 352.434 3.047 20 0 FGADHM COC(=O)c1ccc(NC(=O)c2ccc(C)cc2[O-])c(OC(F)F)c1 ZINC000436545041 501152922 /nfs/dbraw/zinc/15/29/22/501152922.db2.gz BHYBRKBGMSSYFS-UHFFFAOYSA-N -1 3 351.305 3.341 20 0 FGADHM CC(C)c1ccc(C(=O)N2CSC[C@@H]2C(=O)N[C@H](C)C(C)C)c([O-])c1 ZINC000436546964 501153356 /nfs/dbraw/zinc/15/33/56/501153356.db2.gz PNSMEMAUUKZJEQ-CZUORRHYSA-N -1 3 364.511 3.191 20 0 FGADHM COc1ccccc1[C@@H](NC(=O)c1ccc(C)c(C)c1[O-])c1noc(C)n1 ZINC000436550312 501153988 /nfs/dbraw/zinc/15/39/88/501153988.db2.gz YINYLAJIPVEZPL-QGZVFWFLSA-N -1 3 367.405 3.228 20 0 FGADHM COc1cc(C)cc(C(=O)Nc2ccc(C(=O)N(C)C)c(Cl)c2)c1[O-] ZINC000436549248 501154567 /nfs/dbraw/zinc/15/45/67/501154567.db2.gz UKMOXAYPKVSYSK-UHFFFAOYSA-N -1 3 362.813 3.317 20 0 FGADHM CCOc1nc2cc(C(=O)N[C@H]3CCCC[C@H]3n3cccn3)ccc2[n-]1 ZINC000450016371 501154990 /nfs/dbraw/zinc/15/49/90/501154990.db2.gz KHPBSDDDHXANEL-DOTOQJQBSA-N -1 3 353.426 3.072 20 0 FGADHM CCOc1nc2ccc(C(=O)N[C@H]3CCCC[C@H]3n3cccn3)cc2[n-]1 ZINC000450016371 501154994 /nfs/dbraw/zinc/15/49/94/501154994.db2.gz KHPBSDDDHXANEL-DOTOQJQBSA-N -1 3 353.426 3.072 20 0 FGADHM CCOC(=O)C(C)(C)N(C)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436551902 501155115 /nfs/dbraw/zinc/15/51/15/501155115.db2.gz BGMKXVJSLOUZJM-UHFFFAOYSA-N -1 3 355.434 3.397 20 0 FGADHM C[C@H](NC(=O)c1cc(Oc2ccccc2)ccc1[O-])C(=O)N1CCCCC1 ZINC000436556438 501156277 /nfs/dbraw/zinc/15/62/77/501156277.db2.gz LGDQNESESWSACH-HNNXBMFYSA-N -1 3 368.433 3.315 20 0 FGADHM CCOC(=O)CN(CCOC)C(=O)c1cc(C(C)C)cc(C(C)C)c1[O-] ZINC000436555454 501156575 /nfs/dbraw/zinc/15/65/75/501156575.db2.gz KQCDJUFYGFTPNQ-UHFFFAOYSA-N -1 3 365.470 3.291 20 0 FGADHM O=C(c1ccc2n[n-]nc2c1)N1CCn2c(cc3ccc(Cl)cc32)C1 ZINC000446723931 501156684 /nfs/dbraw/zinc/15/66/84/501156684.db2.gz AHJIVQOVTLLOLF-UHFFFAOYSA-N -1 3 351.797 3.222 20 0 FGADHM Cc1ccc(C(=O)N2CSC[C@H]2C(=O)N[C@@H](C)CCC(C)C)c([O-])c1 ZINC000436564675 501158179 /nfs/dbraw/zinc/15/81/79/501158179.db2.gz RAMBZKMYTQZUCY-HOCLYGCPSA-N -1 3 364.511 3.157 20 0 FGADHM Cc1ccc(C(=O)N2CSC[C@H]2C(=O)Nc2ccccc2F)c([O-])c1C ZINC000436568559 501158890 /nfs/dbraw/zinc/15/88/90/501158890.db2.gz UPOPDJADHPYMSN-INIZCTEOSA-N -1 3 374.437 3.302 20 0 FGADHM O=C(NCCCOC[C@H]1CCOC1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436566014 501158942 /nfs/dbraw/zinc/15/89/42/501158942.db2.gz SUOMJSRPXVBVIS-MRXNPFEDSA-N -1 3 371.433 3.358 20 0 FGADHM CC1(C)Cc2ccc(C(=O)Nc3ccc(-c4ncon4)cc3)c([O-])c2O1 ZINC000436569316 501159691 /nfs/dbraw/zinc/15/96/91/501159691.db2.gz CLWVIXJPOWBDJA-UHFFFAOYSA-N -1 3 351.362 3.408 20 0 FGADHM CN(C(=O)CNC(=O)CCc1ccc2ccccc2c1[O-])C1CCCCC1 ZINC000450037579 501161068 /nfs/dbraw/zinc/16/10/68/501161068.db2.gz HCGVLJDGPHERQJ-UHFFFAOYSA-N -1 3 368.477 3.385 20 0 FGADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CC(=O)Nc2cnccc21 ZINC000436577573 501161172 /nfs/dbraw/zinc/16/11/72/501161172.db2.gz VBSZSNGFGNZUBQ-UHFFFAOYSA-N -1 3 361.357 3.178 20 0 FGADHM COc1ccc(C(=O)N[C@H]2CCN(C)[C@@H]2c2ccc(Cl)cc2)c([O-])c1 ZINC000436578658 501161318 /nfs/dbraw/zinc/16/13/18/501161318.db2.gz ASNCJQIQEOFFPG-FUHWJXTLSA-N -1 3 360.841 3.229 20 0 FGADHM COC(=O)[C@@]1(C)CCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])C1 ZINC000436587958 501164414 /nfs/dbraw/zinc/16/44/14/501164414.db2.gz YKUNIHBWUOPGHM-QFIPXVFZSA-N -1 3 367.445 3.203 20 0 FGADHM CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(C)cc2[O-])c1 ZINC000436596721 501166486 /nfs/dbraw/zinc/16/64/86/501166486.db2.gz NHQGRVQFVTWJTP-ZDUSSCGKSA-N -1 3 362.451 3.030 20 0 FGADHM Cc1cc(NC(=O)c2cc(CCc3ccccc3)ccc2[O-])c(=O)n(C)c1 ZINC000436598498 501167029 /nfs/dbraw/zinc/16/70/29/501167029.db2.gz UPHCGTBLUNKVBY-UHFFFAOYSA-N -1 3 362.429 3.437 20 0 FGADHM C[C@@H](CNC(=O)c1ccc(Cl)cc1[O-])N1CCc2sccc2C1 ZINC000436602291 501167478 /nfs/dbraw/zinc/16/74/78/501167478.db2.gz LAQBHAWHLRYZGJ-NSHDSACASA-N -1 3 350.871 3.284 20 0 FGADHM Cc1cccc2c(=O)c(C(=O)NC[C@H]3CCN(c4ccccc4)C3)c[n-]c12 ZINC000607719082 506238096 /nfs/dbraw/zinc/23/80/96/506238096.db2.gz UAWBRMIAJABPDI-MRXNPFEDSA-N -1 3 361.445 3.093 20 0 FGADHM COc1cc(C)cc(C(=O)Nc2cc(Br)ccc2[O-])c1O ZINC000436610623 501169252 /nfs/dbraw/zinc/16/92/52/501169252.db2.gz XPZZAYMBYMUAQX-UHFFFAOYSA-N -1 3 352.184 3.430 20 0 FGADHM [O-]c1ccc(-c2noc(-c3ccc(-n4cnnn4)cc3)n2)c2ccccc12 ZINC000436613564 501170252 /nfs/dbraw/zinc/17/02/52/501170252.db2.gz RCMBRCDCVZUMTL-UHFFFAOYSA-N -1 3 356.345 3.238 20 0 FGADHM C[C@@H]1CCC[C@H](CCNC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])C1 ZINC000436617117 501170568 /nfs/dbraw/zinc/17/05/68/501170568.db2.gz HDNAJBWBFQLVTJ-JFIYKMOQSA-N -1 3 358.482 3.329 20 0 FGADHM C[C@@H]1CN(C(=O)c2cc(OCc3ccccc3)ccc2[O-])[C@@H](C)CN1C ZINC000436618621 501170667 /nfs/dbraw/zinc/17/06/67/501170667.db2.gz OFQCSKBBTWTUAP-CVEARBPZSA-N -1 3 354.450 3.136 20 0 FGADHM CCCCN(CC(F)(F)F)C(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC000436635394 501174929 /nfs/dbraw/zinc/17/49/29/501174929.db2.gz ULMTVGICECBACH-UHFFFAOYSA-N -1 3 360.376 3.012 20 0 FGADHM CCc1nnc(-c2ccc(NC(=O)c3cc(OC)c([O-])c(OC)c3)cc2)o1 ZINC000436659931 501181688 /nfs/dbraw/zinc/18/16/88/501181688.db2.gz BFLVLMCSGLHGMZ-UHFFFAOYSA-N -1 3 369.377 3.274 20 0 FGADHM CC(=O)c1ccc(C(=O)N2CCO[C@H](CCc3ccccc3)C2)cc1[O-] ZINC000436670940 501184315 /nfs/dbraw/zinc/18/43/15/501184315.db2.gz IFNGZQXCSQIURD-GOSISDBHSA-N -1 3 353.418 3.069 20 0 FGADHM CC(=O)c1ccc([O-])c(NC(=O)c2ccc(CN3CCSCC3)cc2)c1 ZINC000436680778 501187084 /nfs/dbraw/zinc/18/70/84/501187084.db2.gz OXFDXCLNIPOCRJ-UHFFFAOYSA-N -1 3 370.474 3.396 20 0 FGADHM CCOc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])cc1F ZINC000436685750 501187675 /nfs/dbraw/zinc/18/76/75/501187675.db2.gz DGVYHYXNWVRABD-MRXNPFEDSA-N -1 3 372.396 3.173 20 0 FGADHM CN(CCc1cnccn1)C(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436702081 501191241 /nfs/dbraw/zinc/19/12/41/501191241.db2.gz BTDZAUSEKLOICB-UHFFFAOYSA-N -1 3 363.417 3.076 20 0 FGADHM COc1ccc(-c2nnc(NC(=O)c3cc(OC)ccc3[O-])s2)cc1 ZINC000436704228 501192243 /nfs/dbraw/zinc/19/22/43/501192243.db2.gz GLAMUHBHQDODIN-UHFFFAOYSA-N -1 3 357.391 3.180 20 0 FGADHM CCCCN(C)S(=O)(=O)[N-]c1cnn(-c2cc(C)ccc2C)c1C ZINC000446994948 501192351 /nfs/dbraw/zinc/19/23/51/501192351.db2.gz BOPODUZZZMGEQT-UHFFFAOYSA-N -1 3 350.488 3.186 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N(C)c2cc(Cl)ccc2C)c([O-])c1 ZINC000436703431 501192525 /nfs/dbraw/zinc/19/25/25/501192525.db2.gz HAUFXEVVFNAQHK-UHFFFAOYSA-N -1 3 360.841 3.445 20 0 FGADHM Cc1ccc(C(=O)NCCc2nc(-c3ccc(Cl)cc3)n[nH]2)c([O-])c1 ZINC000436706316 501192960 /nfs/dbraw/zinc/19/29/60/501192960.db2.gz CHQLBDGFVIWRMD-UHFFFAOYSA-N -1 3 356.813 3.112 20 0 FGADHM Cc1ccc(C(=O)N[C@H](CO)c2ccc(Br)cc2)c([O-])c1C ZINC000436708936 501193009 /nfs/dbraw/zinc/19/30/09/501193009.db2.gz ZHAIXEKDEAURLZ-OAHLLOKOSA-N -1 3 364.239 3.235 20 0 FGADHM C[C@@H](NC(=O)c1ccc(O)cc1[O-])c1ccc(Br)cc1F ZINC000436711083 501194031 /nfs/dbraw/zinc/19/40/31/501194031.db2.gz CTUVQHJJNCDDIX-MRVPVSSYSA-N -1 3 354.175 3.490 20 0 FGADHM COCCCN(CCc1ccc(OC)cc1)C(=O)c1cccc(OC)c1[O-] ZINC000436712896 501194472 /nfs/dbraw/zinc/19/44/72/501194472.db2.gz CHDALRCELKVIHD-UHFFFAOYSA-N -1 3 373.449 3.131 20 0 FGADHM Cn1ccnc1[C@H](NC(=O)c1ccc(O)cc1[O-])c1ccc(Cl)cc1 ZINC000436715350 501195600 /nfs/dbraw/zinc/19/56/00/501195600.db2.gz KTRZLWAJLMMWDF-MRXNPFEDSA-N -1 3 357.797 3.004 20 0 FGADHM Cc1ccccc1C[C@@H](C)N(C)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000447055784 501198229 /nfs/dbraw/zinc/19/82/29/501198229.db2.gz ILQSRDAUYXPAMD-OAHLLOKOSA-N -1 3 360.479 3.070 20 0 FGADHM Cn1ccc2ccc(NC(=O)c3ccc4c(c3[O-])OC(C)(C)C4)cc2c1=O ZINC000436733960 501199830 /nfs/dbraw/zinc/19/98/30/501199830.db2.gz ZXSWNQXLNXEQQH-UHFFFAOYSA-N -1 3 364.401 3.210 20 0 FGADHM C[C@H](CNC(=O)c1ccc(Br)cc1[O-])N1CCC(C)CC1 ZINC000436732730 501200147 /nfs/dbraw/zinc/20/01/47/501200147.db2.gz FGEOWLOKHJIVPD-GFCCVEGCSA-N -1 3 355.276 3.005 20 0 FGADHM CCCCOc1ccc(C(=O)NCc2nccc(C(F)F)n2)c([O-])c1 ZINC000436736970 501201001 /nfs/dbraw/zinc/20/10/01/501201001.db2.gz HGYWXIMBWGRYMG-UHFFFAOYSA-N -1 3 351.353 3.229 20 0 FGADHM COc1ccc(NC(C)=O)cc1NC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436757394 501206047 /nfs/dbraw/zinc/20/60/47/501206047.db2.gz TYYCLWQBRLHTJW-UHFFFAOYSA-N -1 3 354.406 3.490 20 0 FGADHM CN(C)[C@@H](CNC(=O)c1ccc2c(c1[O-])OC(C)(C)C2)c1ccsc1 ZINC000436775979 501209293 /nfs/dbraw/zinc/20/92/93/501209293.db2.gz HFVZAKXJXLFVHM-HNNXBMFYSA-N -1 3 360.479 3.200 20 0 FGADHM COc1cc(/C=C/c2nc(-c3ccc([O-])cc3)no2)cc2c1OCCO2 ZINC000436780169 501210094 /nfs/dbraw/zinc/21/00/94/501210094.db2.gz ZSNXEPYIOSPWBE-FARCUNLSSA-N -1 3 352.346 3.392 20 0 FGADHM CCN(C)C(=O)c1cccc(-c2nc(-c3ccc([O-])c(OC)c3)no2)c1 ZINC000436783157 501210863 /nfs/dbraw/zinc/21/08/63/501210863.db2.gz FQKCTFFWVYAGKL-UHFFFAOYSA-N -1 3 353.378 3.210 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](Cc2ccc(F)cc2)C(C)C)c1 ZINC000436787490 501211718 /nfs/dbraw/zinc/21/17/18/501211718.db2.gz PHUUZSJUZBJHEA-GOSISDBHSA-N -1 3 358.413 3.487 20 0 FGADHM C[C@H](Cc1cc(Br)ccc1F)NC(=O)c1ccc(O)cc1[O-] ZINC000436791444 501212314 /nfs/dbraw/zinc/21/23/14/501212314.db2.gz RPSWIVLYALEUGD-SECBINFHSA-N -1 3 368.202 3.360 20 0 FGADHM CCc1ccc(C(=O)N[C@@H](c2nccn2C)c2ccc(F)cc2)c([O-])c1 ZINC000436803294 501213827 /nfs/dbraw/zinc/21/38/27/501213827.db2.gz NVEMPUSEJPBCGG-GOSISDBHSA-N -1 3 353.397 3.347 20 0 FGADHM CCc1ccc(C(=O)N2CCN(C/C=C\c3ccccc3)CC2)c([O-])c1 ZINC000436803107 501214056 /nfs/dbraw/zinc/21/40/56/501214056.db2.gz MNZMDWZRMQSBOC-TWGQIWQCSA-N -1 3 350.462 3.426 20 0 FGADHM COC(=O)[C@@H]1CN(C(=O)c2cc(C)ccc2[O-])C[C@H]1c1ccc(Cl)cc1 ZINC000436808673 501214468 /nfs/dbraw/zinc/21/44/68/501214468.db2.gz PTXSDAYWWBFYPM-DLBZAZTESA-N -1 3 373.836 3.383 20 0 FGADHM CCc1ccc(C(=O)N2CSC[C@H]2C(=O)Nc2cccc(F)c2)c([O-])c1 ZINC000436817651 501215744 /nfs/dbraw/zinc/21/57/44/501215744.db2.gz BSPFJIIHTYQYHR-INIZCTEOSA-N -1 3 374.437 3.248 20 0 FGADHM CCc1ccc(C(=O)Nc2ccc(OC)c(N3CCCC3=O)c2)c([O-])c1 ZINC000436816539 501215890 /nfs/dbraw/zinc/21/58/90/501215890.db2.gz FEOVRLSSMPLSPR-UHFFFAOYSA-N -1 3 354.406 3.342 20 0 FGADHM COCC[C@@H](Cc1ccco1)NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436829137 501218127 /nfs/dbraw/zinc/21/81/27/501218127.db2.gz RZHBJGSFXJBLHR-AWEZNQCLSA-N -1 3 359.422 3.076 20 0 FGADHM O=C(c1ccc([O-])cc1)N1CCN(CCCc2ccccc2Cl)CC1 ZINC000436840111 501219619 /nfs/dbraw/zinc/21/96/19/501219619.db2.gz VZVQQMKDXZPGCE-UHFFFAOYSA-N -1 3 358.869 3.436 20 0 FGADHM CCc1ccc(C(=O)N[C@@H](c2cnn(C)c2)c2ccc(F)cc2)c([O-])c1 ZINC000436838261 501219651 /nfs/dbraw/zinc/21/96/51/501219651.db2.gz LWXVVEIWAXZNSE-LJQANCHMSA-N -1 3 353.397 3.347 20 0 FGADHM CC(C)c1ccc(C(=O)N2CCNC(=O)[C@@H]2c2ccccc2Cl)c([O-])c1 ZINC000436842993 501219934 /nfs/dbraw/zinc/21/99/34/501219934.db2.gz ZREVDEOWPLMUMX-SFHVURJKSA-N -1 3 372.852 3.482 20 0 FGADHM CC(=O)c1ccc([O-])c(NC(=O)[C@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000436865273 501224206 /nfs/dbraw/zinc/22/42/06/501224206.db2.gz QQVZQAVBXWQKTF-SFHVURJKSA-N -1 3 352.434 3.446 20 0 FGADHM CCOC(=O)[C@@H](NC(=O)c1cccc(OC)c1[O-])c1cccc(C)c1C ZINC000436867896 501224398 /nfs/dbraw/zinc/22/43/98/501224398.db2.gz FSKUGEUYLFTLDK-KRWDZBQOSA-N -1 3 357.406 3.052 20 0 FGADHM COc1cccc(-c2noc([C@@H](C)NC(=O)c3ccc([O-])c(C)c3)n2)c1 ZINC000436904913 501230086 /nfs/dbraw/zinc/23/00/86/501230086.db2.gz RDKFPUMCEXPUJR-GFCCVEGCSA-N -1 3 353.378 3.250 20 0 FGADHM Cc1cc(C(=O)N[C@@H](C)c2cc(F)ccc2N2CCN(C)CC2)ccc1[O-] ZINC000436906304 501230592 /nfs/dbraw/zinc/23/05/92/501230592.db2.gz VPSLFPWXLKHIPM-HNNXBMFYSA-N -1 3 371.456 3.083 20 0 FGADHM Cc1ccc(CN2CCC(c3n[n-]c(=O)o3)CC2)c(Br)c1 ZINC000450923564 501230669 /nfs/dbraw/zinc/23/06/69/501230669.db2.gz CXCKNNXGDSPHTC-UHFFFAOYSA-N -1 3 352.232 3.226 20 0 FGADHM O=C(c1c([O-])cccc1O)N1CCc2c(Br)ccc(F)c2C1 ZINC000436908255 501230781 /nfs/dbraw/zinc/23/07/81/501230781.db2.gz VBOUQLQLDITQFH-UHFFFAOYSA-N -1 3 366.186 3.198 20 0 FGADHM Cc1cc(CN2CCC(c3n[n-]c(=O)o3)CC2)ccc1Br ZINC000450926367 501230996 /nfs/dbraw/zinc/23/09/96/501230996.db2.gz LXOGXRXAUHURKN-UHFFFAOYSA-N -1 3 352.232 3.226 20 0 FGADHM O=c1[nH]c(Cc2ccn(-c3c(F)cccc3F)n2)nc2ccc([O-])cc12 ZINC000436925258 501233752 /nfs/dbraw/zinc/23/37/52/501233752.db2.gz IGRQQIAEDOTGKC-UHFFFAOYSA-N -1 3 354.316 3.096 20 0 FGADHM CO[C@@H](C)CS(=O)(=O)[N-]c1ccc(-c2nc3ccccc3n2C)cc1 ZINC000450976843 501236338 /nfs/dbraw/zinc/23/63/38/501236338.db2.gz ZZUYJMXAOHJIHK-ZDUSSCGKSA-N -1 3 359.451 3.017 20 0 FGADHM CCOc1ccncc1S(=O)(=O)[N-][C@H](C)c1ccc(OC(C)C)cc1 ZINC000451072547 501243320 /nfs/dbraw/zinc/24/33/20/501243320.db2.gz XDKRQWVSTYSASX-CQSZACIVSA-N -1 3 364.467 3.307 20 0 FGADHM CCOc1ccncc1S(=O)(=O)[N-][C@H](C)c1ccc(F)c(Cl)c1 ZINC000451107675 501246374 /nfs/dbraw/zinc/24/63/74/501246374.db2.gz PQWPRDDRZYMCNV-SNVBAGLBSA-N -1 3 358.822 3.312 20 0 FGADHM CCN(CC)[C@H](C[N-]S(=O)(=O)C[C@@H]1CCCC1(F)F)c1ccco1 ZINC000451131750 501247335 /nfs/dbraw/zinc/24/73/35/501247335.db2.gz SRFAOVBVMPHWAM-UONOGXRCSA-N -1 3 364.458 3.017 20 0 FGADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)C(C)(C)C3CCC3)c2)[n-]1 ZINC000451282672 501257380 /nfs/dbraw/zinc/25/73/80/501257380.db2.gz CXTDKVXNBMBJMM-UHFFFAOYSA-N -1 3 370.453 3.091 20 0 FGADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)C(C)(C)C3CCC3)c2)n[n-]1 ZINC000451282672 501257381 /nfs/dbraw/zinc/25/73/81/501257381.db2.gz CXTDKVXNBMBJMM-UHFFFAOYSA-N -1 3 370.453 3.091 20 0 FGADHM Cc1csc(S(=O)(=O)[N-]C2(c3cccc(F)c3)CCOCC2)c1 ZINC000451286074 501257479 /nfs/dbraw/zinc/25/74/79/501257479.db2.gz RWTKKUATEFARMA-UHFFFAOYSA-N -1 3 355.456 3.180 20 0 FGADHM CCc1noc(CC)c1C[N-]S(=O)(=O)Cc1c(F)cccc1Cl ZINC000451293402 501258216 /nfs/dbraw/zinc/25/82/16/501258216.db2.gz DLXJJCWFCOXLDI-UHFFFAOYSA-N -1 3 360.838 3.212 20 0 FGADHM CCOc1ccncc1S(=O)(=O)[N-][C@@H](C)c1ccc(SC)cc1 ZINC000451490255 501304994 /nfs/dbraw/zinc/30/49/94/501304994.db2.gz LMHABJLGHPGSPT-LBPRGKRZSA-N -1 3 352.481 3.242 20 0 FGADHM O=C(Cc1ccc([O-])c(F)c1)N1CCC(N2CCc3cc(F)ccc32)CC1 ZINC000451491415 501305127 /nfs/dbraw/zinc/30/51/27/501305127.db2.gz NOYVZYKXQXFAEQ-UHFFFAOYSA-N -1 3 372.415 3.267 20 0 FGADHM CC1(C)CN(C(=O)Cc2ccc([O-])c(F)c2)C[C@@H](COc2ccccc2)O1 ZINC000451563260 501325382 /nfs/dbraw/zinc/32/53/82/501325382.db2.gz DTTFRYVQQWPVHA-KRWDZBQOSA-N -1 3 373.424 3.159 20 0 FGADHM Cc1ccc(Br)c(S(=O)(=O)[N-]CCCC(C)(F)F)c1 ZINC000451607314 501335819 /nfs/dbraw/zinc/33/58/19/501335819.db2.gz KMSZSOMIUBGWJO-UHFFFAOYSA-N -1 3 356.232 3.471 20 0 FGADHM CO[C@@H](C[N-]S(=O)(=O)Cc1c(F)cccc1Cl)Cc1ccccc1 ZINC000451659861 501346316 /nfs/dbraw/zinc/34/63/16/501346316.db2.gz CEAHTFRNYRLMEC-CQSZACIVSA-N -1 3 371.861 3.156 20 0 FGADHM CC1(C)OCC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000451697036 501353836 /nfs/dbraw/zinc/35/38/36/501353836.db2.gz QBSSOHYHMPOXPE-LLVKDONJSA-N -1 3 357.781 3.205 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)c2ccccc21)[C@H](O)C(F)F ZINC000451712274 501358000 /nfs/dbraw/zinc/35/80/00/501358000.db2.gz NKQABGLZUAKYGA-JSGCOSHPSA-N -1 3 363.813 3.176 20 0 FGADHM Cc1cccnc1CCC[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000451807678 501376154 /nfs/dbraw/zinc/37/61/54/501376154.db2.gz HJUMWINPDJPTCQ-UHFFFAOYSA-N -1 3 358.385 3.320 20 0 FGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2nn(C)cc2Cl)c1Cl ZINC000451811545 501377379 /nfs/dbraw/zinc/37/73/79/501377379.db2.gz PIGFMAYDPYCRBP-UHFFFAOYSA-N -1 3 368.673 3.167 20 0 FGADHM CCc1cc(=O)[n-]c(CN[C@](C)(CO)c2cc(Cl)cc(Cl)c2)n1 ZINC000451912199 501399944 /nfs/dbraw/zinc/39/99/44/501399944.db2.gz OUJHCKKXRLIZJF-MRXNPFEDSA-N -1 3 356.253 3.049 20 0 FGADHM O=C(c1ccccc1[O-])N1CCC[C@H]1C(=O)N1Cc2ccc(Cl)cc2C1 ZINC000458260047 501405671 /nfs/dbraw/zinc/40/56/71/501405671.db2.gz VNKPIVJPFJSCHW-KRWDZBQOSA-N -1 3 370.836 3.193 20 0 FGADHM CO[C@H]([C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)C1CC1 ZINC000451966158 501410567 /nfs/dbraw/zinc/41/05/67/501410567.db2.gz DRORYDJPXPTBHV-ISVAXAHUSA-N -1 3 371.808 3.451 20 0 FGADHM O=S(=O)([N-]CCC[C@@H]1CCOC1)c1ccc(Cl)cc1C(F)(F)F ZINC000452009823 501417582 /nfs/dbraw/zinc/41/75/82/501417582.db2.gz APFWUSZMSBWCIR-SNVBAGLBSA-N -1 3 371.808 3.454 20 0 FGADHM CCO[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1sc(C)cc1Br ZINC000452062983 501427234 /nfs/dbraw/zinc/42/72/34/501427234.db2.gz VGKKPXGERKYENC-GHMZBOCLSA-N -1 3 368.318 3.055 20 0 FGADHM C[C@@H](c1ccc(C(=O)NCc2nnc(C(F)(F)F)[n-]2)cc1)C(F)(F)F ZINC000456019775 501439399 /nfs/dbraw/zinc/43/93/99/501439399.db2.gz KOMFGNWIWAANGO-ZETCQYMHSA-N -1 3 366.265 3.419 20 0 FGADHM C[C@@H](c1ccc(C(=O)NCc2n[n-]c(C(F)(F)F)n2)cc1)C(F)(F)F ZINC000456019775 501439401 /nfs/dbraw/zinc/43/94/01/501439401.db2.gz KOMFGNWIWAANGO-ZETCQYMHSA-N -1 3 366.265 3.419 20 0 FGADHM C[C@@H](c1ccc(C(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1)C(F)(F)F ZINC000456019775 501439405 /nfs/dbraw/zinc/43/94/05/501439405.db2.gz KOMFGNWIWAANGO-ZETCQYMHSA-N -1 3 366.265 3.419 20 0 FGADHM COc1cc2c(cc1F)[n-]cc(C(=O)N1C[C@@H](C(C)C)[C@H]1C(C)C)c2=O ZINC000456294534 501490293 /nfs/dbraw/zinc/49/02/93/501490293.db2.gz AZRGBNNQMXNOMM-KBXCAEBGSA-N -1 3 360.429 3.428 20 0 FGADHM C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)N1C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000458645467 501497200 /nfs/dbraw/zinc/49/72/00/501497200.db2.gz DEWWPHJIOQVVBL-RNJXMRFFSA-N -1 3 373.301 3.084 20 0 FGADHM C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)N1C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000458645467 501497202 /nfs/dbraw/zinc/49/72/02/501497202.db2.gz DEWWPHJIOQVVBL-RNJXMRFFSA-N -1 3 373.301 3.084 20 0 FGADHM C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)N1C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000458645467 501497204 /nfs/dbraw/zinc/49/72/04/501497204.db2.gz DEWWPHJIOQVVBL-RNJXMRFFSA-N -1 3 373.301 3.084 20 0 FGADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)N1CC[C@H](c2cccc(Cl)c2)C1 ZINC000458649972 501498575 /nfs/dbraw/zinc/49/85/75/501498575.db2.gz HUQCYDPXNLABTI-JTQLQIEISA-N -1 3 373.766 3.176 20 0 FGADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)N1CC[C@H](c2cccc(Cl)c2)C1 ZINC000458649972 501498578 /nfs/dbraw/zinc/49/85/78/501498578.db2.gz HUQCYDPXNLABTI-JTQLQIEISA-N -1 3 373.766 3.176 20 0 FGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N1CC[C@H](c2cccc(Cl)c2)C1 ZINC000458649972 501498581 /nfs/dbraw/zinc/49/85/81/501498581.db2.gz HUQCYDPXNLABTI-JTQLQIEISA-N -1 3 373.766 3.176 20 0 FGADHM Cc1ccc(C2(CNC(=O)Nc3ccc4c(c3)C(=O)[N-]C4=O)CC2)c(C)c1 ZINC000454273260 501498795 /nfs/dbraw/zinc/49/87/95/501498795.db2.gz PCKCUGADEKAQNN-UHFFFAOYSA-N -1 3 363.417 3.040 20 0 FGADHM COc1cc(C(=O)N[C@H]2CCc3cc(F)c(F)c(F)c32)cc(OC)c1[O-] ZINC000456464602 501531353 /nfs/dbraw/zinc/53/13/53/501531353.db2.gz XNAUQYCKNCEXPD-NSHDSACASA-N -1 3 367.323 3.244 20 0 FGADHM CO[C@H]([C@H](C)NC(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1)C1CC1 ZINC000456563788 501549103 /nfs/dbraw/zinc/54/91/03/501549103.db2.gz MULIUGARFUCPOE-RNODOKPDSA-N -1 3 353.418 3.167 20 0 FGADHM C[C@@H]1CN(CC(F)(F)F)CCN(C(=O)c2cc3c(cc2[O-])CCCC3)C1 ZINC000456652984 501567897 /nfs/dbraw/zinc/56/78/97/501567897.db2.gz MPCJXQNEABXCCL-CYBMUJFWSA-N -1 3 370.415 3.227 20 0 FGADHM CCc1cc(C(=O)Nc2ccc3c(c2)nc(C)n3[C@H](C)CO)ccc1[O-] ZINC000456694970 501579226 /nfs/dbraw/zinc/57/92/26/501579226.db2.gz IKUIWSDWZUCFAS-GFCCVEGCSA-N -1 3 353.422 3.418 20 0 FGADHM CC(C)(O)C(C)(C)CNC(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000456806936 501602284 /nfs/dbraw/zinc/60/22/84/501602284.db2.gz YPOHAPDWWWIORJ-UHFFFAOYSA-N -1 3 355.434 3.150 20 0 FGADHM COC(=O)[C@H]1CN(C(=O)c2ccc(C)c(C)c2[O-])C[C@@H]1c1ccccc1 ZINC000456948128 501624444 /nfs/dbraw/zinc/62/44/44/501624444.db2.gz MNXMTIXKFVZAIM-MSOLQXFVSA-N -1 3 353.418 3.038 20 0 FGADHM CCOc1cccc(CN(CCO)C(=O)Cc2ccc([O-])cc2Cl)c1 ZINC000456963992 501626617 /nfs/dbraw/zinc/62/66/17/501626617.db2.gz LAGKFEAANMBOKO-UHFFFAOYSA-N -1 3 363.841 3.008 20 0 FGADHM [O-]c1cccc(CN2CCN(c3ncccc3F)CC2)c1Br ZINC000459359238 501638650 /nfs/dbraw/zinc/63/86/50/501638650.db2.gz FDCNQZKBBRKIAJ-UHFFFAOYSA-N -1 3 366.234 3.011 20 0 FGADHM O=C(CC1CCCCC1)NCCNCc1cccc([O-])c1Br ZINC000459423591 501651521 /nfs/dbraw/zinc/65/15/21/501651521.db2.gz ZWMKFJXZZQAUKF-UHFFFAOYSA-N -1 3 369.303 3.331 20 0 FGADHM O=c1cc(CN(Cc2ccc(F)cc2)C2CCOCC2)nc(C2CC2)[n-]1 ZINC000459430243 501652517 /nfs/dbraw/zinc/65/25/17/501652517.db2.gz XNSDKBHNAODPCY-UHFFFAOYSA-N -1 3 357.429 3.380 20 0 FGADHM COc1ccc([C@H](CCO)NCc2cccc([O-])c2Br)cc1 ZINC000459450798 501655948 /nfs/dbraw/zinc/65/59/48/501655948.db2.gz KRYXUJIGGOEQBV-HNNXBMFYSA-N -1 3 366.255 3.377 20 0 FGADHM COCC[C@@H](Cc1ccco1)NCc1cccc([O-])c1Br ZINC000459493553 501663587 /nfs/dbraw/zinc/66/35/87/501663587.db2.gz ZMNOZMUKTRCLSQ-ZDUSSCGKSA-N -1 3 354.244 3.485 20 0 FGADHM CC(C)CN(Cc1cnn(C)c1)Cc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000459601355 501684979 /nfs/dbraw/zinc/68/49/79/501684979.db2.gz XJBISTJOWDLCDD-UHFFFAOYSA-N -1 3 351.454 3.241 20 0 FGADHM CCOC(=O)[C@@H](NCc1cc(=O)[n-]c(C2CC2)n1)c1ccc(Cl)cc1 ZINC000459606984 501685782 /nfs/dbraw/zinc/68/57/82/501685782.db2.gz OGPVUOULPBXQMP-INIZCTEOSA-N -1 3 361.829 3.107 20 0 FGADHM Cc1c(Cl)cncc1C(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000457399713 501693428 /nfs/dbraw/zinc/69/34/28/501693428.db2.gz DSZHKXWWALGYIN-UHFFFAOYSA-N -1 3 373.840 3.240 20 0 FGADHM C[C@H]1CC[C@@](C)(C(=O)Nc2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)C1(C)C ZINC000457440012 501698756 /nfs/dbraw/zinc/69/87/56/501698756.db2.gz BPJIGHQODGHMGY-OCCQLPPTSA-N -1 3 357.454 3.142 20 0 FGADHM C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)N1C(=O)N=c1cc(OC(F)F)n(C)[n-]1 ZINC000455197910 501706200 /nfs/dbraw/zinc/70/62/00/501706200.db2.gz BOSIOYRDIAMSTM-MBNYWOFBSA-N -1 3 364.396 3.242 20 0 FGADHM CO[C@H](C(=O)Nc1cc(Br)ccc1[O-])c1ccc(O)cc1 ZINC000463453443 501727874 /nfs/dbraw/zinc/72/78/74/501727874.db2.gz LAPZLMIJHNEXOA-AWEZNQCLSA-N -1 3 352.184 3.187 20 0 FGADHM CC(C)(C)c1ncc(NC(=O)Cc2ccc(Br)cc2[O-])cn1 ZINC000477614520 501738398 /nfs/dbraw/zinc/73/83/98/501738398.db2.gz ZMXCNTLPAZBGQV-UHFFFAOYSA-N -1 3 364.243 3.423 20 0 FGADHM O=C(Cc1ccc(Br)cc1[O-])N1CCCC[C@@H]1c1ncc[nH]1 ZINC000477615496 501739363 /nfs/dbraw/zinc/73/93/63/501739363.db2.gz WOJMVMONFROUAP-CYBMUJFWSA-N -1 3 364.243 3.174 20 0 FGADHM COc1cc(C(=O)N[C@H](C)c2ccc(Br)cn2)ccc1[O-] ZINC000477793446 501788475 /nfs/dbraw/zinc/78/84/75/501788475.db2.gz AVLDWBISBCJYGN-SECBINFHSA-N -1 3 351.200 3.049 20 0 FGADHM CC[C@]1(C)CCN(C(=O)Nc2ccc([N-]S(=O)(=O)CC)c(OC)c2)C1 ZINC000467422488 501790432 /nfs/dbraw/zinc/79/04/32/501790432.db2.gz CKNSMIXSIRNZQZ-QGZVFWFLSA-N -1 3 369.487 3.111 20 0 FGADHM CC(C)(C)CC[C@@H](CO)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000481513333 501797238 /nfs/dbraw/zinc/79/72/38/501797238.db2.gz YUJXIPDLCUUNIH-NSHDSACASA-N -1 3 371.396 3.310 20 0 FGADHM CC(C)Cn1cnc(S(=O)(=O)[N-]CCSc2ccc(Cl)cc2)c1 ZINC000470774817 501798046 /nfs/dbraw/zinc/79/80/46/501798046.db2.gz WIKIWAMEABTRLP-UHFFFAOYSA-N -1 3 373.931 3.263 20 0 FGADHM O=C(NCc1ccc([O-])c(Br)c1)N1CCC[C@H](C2CC2)C1 ZINC000460358202 501802106 /nfs/dbraw/zinc/80/21/06/501802106.db2.gz KTDTVBPUQCVZDL-ZDUSSCGKSA-N -1 3 353.260 3.486 20 0 FGADHM Cc1nc(-c2ccc(NC(=O)NCc3ccn4ccnc4c3)cc2)cc(=O)[n-]1 ZINC000474354588 501802850 /nfs/dbraw/zinc/80/28/50/501802850.db2.gz WSPPEPMIDDOPRR-UHFFFAOYSA-N -1 3 374.404 3.127 20 0 FGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(NC(=O)C(C)C)cc1 ZINC000474357270 501804081 /nfs/dbraw/zinc/80/40/81/501804081.db2.gz WVZCYKJJCKGNRT-UHFFFAOYSA-N -1 3 360.439 3.059 20 0 FGADHM COCCOc1ccc([N-]S(=O)(=O)c2c(C)cc(F)cc2C)cc1F ZINC000485395021 501808519 /nfs/dbraw/zinc/80/85/19/501808519.db2.gz BMZBSPMAAYZRJC-UHFFFAOYSA-N -1 3 371.405 3.408 20 0 FGADHM CCOC1CC(CC[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2F)C1 ZINC000474370944 501808986 /nfs/dbraw/zinc/80/89/86/501808986.db2.gz KHADRXDKRZQVKU-UHFFFAOYSA-N -1 3 369.380 3.328 20 0 FGADHM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1ccc2ccc(=O)n(C)c2c1 ZINC000485397878 501809336 /nfs/dbraw/zinc/80/93/36/501809336.db2.gz ZIWYDMNINXBIIF-UHFFFAOYSA-N -1 3 360.410 3.095 20 0 FGADHM COc1cc(C(=O)NCc2ccccc2C(F)(F)F)cc(OC)c1[O-] ZINC000481551245 501811263 /nfs/dbraw/zinc/81/12/63/501811263.db2.gz GZILBRUSVBPDLK-UHFFFAOYSA-N -1 3 355.312 3.358 20 0 FGADHM O=S(=O)([N-]c1cc(Cl)ccc1OCC(F)(F)F)N1CCCC1 ZINC000460434499 501823870 /nfs/dbraw/zinc/82/38/70/501823870.db2.gz HJENYSVJIJSYOV-UHFFFAOYSA-N -1 3 358.769 3.034 20 0 FGADHM CCc1ncc(S(=O)(=O)[N-][C@@H]2CC[C@H](c3ccccc3F)C2)s1 ZINC000481608631 501831388 /nfs/dbraw/zinc/83/13/88/501831388.db2.gz WKTCJHLUFVFNKS-NWDGAFQWSA-N -1 3 354.472 3.459 20 0 FGADHM CC[C@H](C)n1ncc(NC(=O)c2c[n-]c3cc(OC)ccc3c2=O)c1C ZINC000485494849 501836914 /nfs/dbraw/zinc/83/69/14/501836914.db2.gz RHFLLLDLUPWJPQ-NSHDSACASA-N -1 3 354.410 3.265 20 0 FGADHM CC[C@H](C)n1ncc(NC(=O)c2cnc3cc(OC)ccc3c2[O-])c1C ZINC000485494849 501836920 /nfs/dbraw/zinc/83/69/20/501836920.db2.gz RHFLLLDLUPWJPQ-NSHDSACASA-N -1 3 354.410 3.265 20 0 FGADHM CCc1ncc(S(=O)(=O)[N-]C[C@H]2CCCc3cc(OC)ccc32)s1 ZINC000463858475 501840815 /nfs/dbraw/zinc/84/08/15/501840815.db2.gz TXDBKDJSDLBLPV-CYBMUJFWSA-N -1 3 366.508 3.113 20 0 FGADHM Cc1nc(C(F)(F)F)sc1C(=O)[N-]c1sccc1S(C)(=O)=O ZINC000463858339 501841347 /nfs/dbraw/zinc/84/13/47/501841347.db2.gz TUXSISYDWJWEDN-UHFFFAOYSA-N -1 3 370.399 3.188 20 0 FGADHM COc1ccccc1C1(C(=O)N=c2cc(-c3cc(F)cc(F)c3)[n-][nH]2)CC1 ZINC000467712885 501850892 /nfs/dbraw/zinc/85/08/92/501850892.db2.gz GFIKCMXCBLLFAO-UHFFFAOYSA-N -1 3 369.371 3.456 20 0 FGADHM O=C(N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1)c1ccccc1-n1cccn1 ZINC000467715455 501852204 /nfs/dbraw/zinc/85/22/04/501852204.db2.gz WCRRBUYBJZQBJQ-UHFFFAOYSA-N -1 3 365.343 3.215 20 0 FGADHM Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)[N-]C1(C(F)(F)F)CCC1 ZINC000463957791 501862124 /nfs/dbraw/zinc/86/21/24/501862124.db2.gz KOTAVKIANASDJU-UHFFFAOYSA-N -1 3 363.689 3.465 20 0 FGADHM CCOC(=O)c1cc(-c2ccccc2)ccc1[N-]S(=O)(=O)N(C)CC ZINC000467757054 501862546 /nfs/dbraw/zinc/86/25/46/501862546.db2.gz CSJQXFILQTVOMM-UHFFFAOYSA-N -1 3 362.451 3.139 20 0 FGADHM COC(=O)c1ccc(NC(=O)c2cn[n-]c2-c2ccsc2)cc1OC ZINC000478069211 501871570 /nfs/dbraw/zinc/87/15/70/501871570.db2.gz WFUWPGCVZBRWDB-UHFFFAOYSA-N -1 3 357.391 3.186 20 0 FGADHM COC(=O)c1ccc(NC(=O)c2c[n-]nc2-c2ccsc2)cc1OC ZINC000478069211 501871573 /nfs/dbraw/zinc/87/15/73/501871573.db2.gz WFUWPGCVZBRWDB-UHFFFAOYSA-N -1 3 357.391 3.186 20 0 FGADHM COC(=O)c1cc(F)cc([N-]C(=O)c2c(F)ccc(OC)c2OC)c1F ZINC000478078996 501875400 /nfs/dbraw/zinc/87/54/00/501875400.db2.gz FGNPRKBQVVBADE-UHFFFAOYSA-N -1 3 369.295 3.160 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)[C@@H](c1ccccc1)N(C)C ZINC000474573548 501880517 /nfs/dbraw/zinc/88/05/17/501880517.db2.gz IHFXMWAPZYJKMV-GTNSWQLSSA-N -1 3 372.412 3.074 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1Cl)[C@H](c1ccccc1)N(C)C ZINC000474573386 501880706 /nfs/dbraw/zinc/88/07/06/501880706.db2.gz FUXDYJHILBRSSA-SJKOYZFVSA-N -1 3 370.877 3.449 20 0 FGADHM CCOc1nc(C)ccc1C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000478130501 501889297 /nfs/dbraw/zinc/88/92/97/501889297.db2.gz XEBZWXKNVLBHDZ-UHFFFAOYSA-N -1 3 364.405 3.100 20 0 FGADHM Cc1noc(C)c1[N-]C(=O)c1c(F)cccc1I ZINC000471063283 501907940 /nfs/dbraw/zinc/90/79/40/501907940.db2.gz OUOJEHBCCWJYDH-UHFFFAOYSA-N -1 3 360.126 3.287 20 0 FGADHM Cc1cccc2nc(C[N-]S(=O)(=O)c3c(F)cccc3Cl)n(C)c21 ZINC000464212795 501924107 /nfs/dbraw/zinc/92/41/07/501924107.db2.gz WECATUQASQODKL-UHFFFAOYSA-N -1 3 367.833 3.153 20 0 FGADHM C[C@@H](Oc1cccc(F)c1)C(=O)Nc1nnc(-c2c(F)cccc2F)[n-]1 ZINC000478316448 501940098 /nfs/dbraw/zinc/94/00/98/501940098.db2.gz SPECBUACXYRXIX-SECBINFHSA-N -1 3 362.311 3.295 20 0 FGADHM C[C@@H](Oc1cccc(F)c1)C(=O)Nc1nc(-c2c(F)cccc2F)n[n-]1 ZINC000478316448 501940100 /nfs/dbraw/zinc/94/01/00/501940100.db2.gz SPECBUACXYRXIX-SECBINFHSA-N -1 3 362.311 3.295 20 0 FGADHM C[C@@H](Oc1cccc(F)c1)C(=O)Nc1n[n-]c(-c2c(F)cccc2F)n1 ZINC000478316448 501940103 /nfs/dbraw/zinc/94/01/03/501940103.db2.gz SPECBUACXYRXIX-SECBINFHSA-N -1 3 362.311 3.295 20 0 FGADHM COC(=O)c1cnc(SCc2nc3ccc(Br)cc3o2)[n-]1 ZINC000460867981 501943608 /nfs/dbraw/zinc/94/36/08/501943608.db2.gz HPDNMBISHHXSQV-UHFFFAOYSA-N -1 3 368.212 3.392 20 0 FGADHM CCc1ncc(S(=O)(=O)[N-][C@H](C)[C@@H](OC)c2ccccc2Cl)s1 ZINC000460899252 501953801 /nfs/dbraw/zinc/95/38/01/501953801.db2.gz JIKHJEYSOONBMY-MEBBXXQBSA-N -1 3 374.915 3.413 20 0 FGADHM CCc1ncc(S(=O)(=O)[N-]Cc2cccc(-c3ccccn3)c2)s1 ZINC000460901261 501954336 /nfs/dbraw/zinc/95/43/36/501954336.db2.gz LZRAEAPGBVEWIA-UHFFFAOYSA-N -1 3 359.476 3.246 20 0 FGADHM CCc1ncc(S(=O)(=O)[N-][C@H]2CCCc3cc(OC)ccc32)s1 ZINC000460941957 501964956 /nfs/dbraw/zinc/96/49/56/501964956.db2.gz ZNXRJNFAUVRBDS-AWEZNQCLSA-N -1 3 352.481 3.070 20 0 FGADHM COC(=O)C[C@H](NC(=O)c1ccc2n[n-]nc2c1)c1ccc2ccccc2c1 ZINC000474833921 501966758 /nfs/dbraw/zinc/96/67/58/501966758.db2.gz NTYCYPRAKYFPFP-SFHVURJKSA-N -1 3 374.400 3.145 20 0 FGADHM CCc1ncc(S(=O)(=O)[N-]CCSCc2ccccc2F)s1 ZINC000460949979 501967590 /nfs/dbraw/zinc/96/75/90/501967590.db2.gz OCYUZSCWKDCVNA-UHFFFAOYSA-N -1 3 360.501 3.056 20 0 FGADHM O=C(NCc1ncccc1[O-])Nc1ccc(OC(F)F)c2ncccc12 ZINC000471253866 501968144 /nfs/dbraw/zinc/96/81/44/501968144.db2.gz ZEYFZQNTQOSTKI-UHFFFAOYSA-N -1 3 360.320 3.259 20 0 FGADHM Cc1cc(CS(=O)(=O)[N-][C@H](COc2ccccc2F)C(C)(C)C)on1 ZINC000485881100 501973782 /nfs/dbraw/zinc/97/37/82/501973782.db2.gz LRFVUJHJAJJWLX-MRXNPFEDSA-N -1 3 370.446 3.035 20 0 FGADHM Cc1nnsc1C(=O)N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1 ZINC000471324411 501990149 /nfs/dbraw/zinc/99/01/49/501990149.db2.gz UVWBELZRKCFTJI-UHFFFAOYSA-N -1 3 354.222 3.218 20 0 FGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)C2C3CC4CC(C3)CC2C4)c1 ZINC000461032039 501994675 /nfs/dbraw/zinc/99/46/75/501994675.db2.gz CJCOQYNZXROSHT-UHFFFAOYSA-N -1 3 362.495 3.377 20 0 FGADHM O=C(NCCCc1ccc(Br)cc1F)c1csc(=O)[n-]1 ZINC000471370445 502001804 /nfs/dbraw/zinc/00/18/04/502001804.db2.gz VDLOKIVMOORWEO-UHFFFAOYSA-N -1 3 359.220 3.113 20 0 FGADHM C[C@H]1CC[C@@H](CNC(=O)N=c2cc3ccc(Br)cn3[n-]2)C1 ZINC000482188773 502002483 /nfs/dbraw/zinc/00/24/83/502002483.db2.gz SBTMGIHKBXBANU-WDEREUQCSA-N -1 3 351.248 3.076 20 0 FGADHM CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)CNC(=O)c2cccc([O-])c2)o1 ZINC000471389229 502008218 /nfs/dbraw/zinc/00/82/18/502008218.db2.gz UMMVWCMAVBEJQF-KDOFPFPSSA-N -1 3 370.449 3.277 20 0 FGADHM O=C(CNC(=O)c1cccc([O-])c1)N(Cc1ccoc1)C1CCCCC1 ZINC000471389387 502008347 /nfs/dbraw/zinc/00/83/47/502008347.db2.gz IVTVXVRHHORJQZ-UHFFFAOYSA-N -1 3 356.422 3.077 20 0 FGADHM O=c1cc(C=Cc2cnc(C(F)(F)F)s2)nc(-c2ccncc2)[n-]1 ZINC000486007080 502017496 /nfs/dbraw/zinc/01/74/96/502017496.db2.gz PLAATRHCHXUIJO-UPHRSURJSA-N -1 3 350.325 3.478 20 0 FGADHM O=C(C[C@H](c1ccccc1)C(F)(F)F)NCc1nnc(C(F)(F)F)[n-]1 ZINC000482241042 502017595 /nfs/dbraw/zinc/01/75/95/502017595.db2.gz QZNDXUZEGMGMGF-SECBINFHSA-N -1 3 366.265 3.176 20 0 FGADHM O=C(C[C@H](c1ccccc1)C(F)(F)F)NCc1n[n-]c(C(F)(F)F)n1 ZINC000482241042 502017598 /nfs/dbraw/zinc/01/75/98/502017598.db2.gz QZNDXUZEGMGMGF-SECBINFHSA-N -1 3 366.265 3.176 20 0 FGADHM O=C(C[C@H](c1ccccc1)C(F)(F)F)NCc1nc(C(F)(F)F)n[n-]1 ZINC000482241042 502017601 /nfs/dbraw/zinc/01/76/01/502017601.db2.gz QZNDXUZEGMGMGF-SECBINFHSA-N -1 3 366.265 3.176 20 0 FGADHM O=C(CCCc1ccc([O-])c(F)c1)NCc1cn2cc(Cl)ccc2n1 ZINC000468368673 502038924 /nfs/dbraw/zinc/03/89/24/502038924.db2.gz VTKDSERHXRBUOC-UHFFFAOYSA-N -1 3 361.804 3.472 20 0 FGADHM Cc1ncn(-c2ccc([N-]S(=O)(=O)c3ccc4c(c3)CCO4)cc2)c1C ZINC000461209092 502039449 /nfs/dbraw/zinc/03/94/49/502039449.db2.gz LWWOQTIOTKVXEP-UHFFFAOYSA-N -1 3 369.446 3.225 20 0 FGADHM O=C(CCCc1ccc([O-])c(F)c1)NCc1nc(-c2ccccc2)no1 ZINC000468396721 502045192 /nfs/dbraw/zinc/04/51/92/502045192.db2.gz FINZSNWAUGSWIZ-UHFFFAOYSA-N -1 3 355.369 3.220 20 0 FGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CCCO[C@H]1CC(C)C ZINC000486094970 502045188 /nfs/dbraw/zinc/04/51/88/502045188.db2.gz XEFDCXQULQXXMY-ZFWWWQNUSA-N -1 3 361.891 3.221 20 0 FGADHM Cc1ccc(OCC(=O)N=c2nc(-c3ccccc3Cl)[n-]n2C)c(C)c1 ZINC000461231916 502046883 /nfs/dbraw/zinc/04/68/83/502046883.db2.gz IXZRHLOZPBGPDQ-UHFFFAOYSA-N -1 3 370.840 3.192 20 0 FGADHM CCSc1cc(C(=O)N=c2nc(-c3ccccc3Cl)[n-]n2C)ccn1 ZINC000461234849 502047096 /nfs/dbraw/zinc/04/70/96/502047096.db2.gz SGHPUUOMFMMLQY-UHFFFAOYSA-N -1 3 373.869 3.317 20 0 FGADHM Cc1nc(C)c(CCC(=O)N[C@H](C)c2cc3cccc(F)c3o2)c(=O)[n-]1 ZINC000475089174 502051648 /nfs/dbraw/zinc/05/16/48/502051648.db2.gz LASZEJTZBPIEGZ-LLVKDONJSA-N -1 3 357.385 3.494 20 0 FGADHM Cc1ccc(O)c([N-]S(=O)(=O)CCc2ccccc2Br)c1 ZINC000461333065 502073017 /nfs/dbraw/zinc/07/30/17/502073017.db2.gz MAJRYWDQNUAANK-UHFFFAOYSA-N -1 3 370.268 3.448 20 0 FGADHM Cc1c(C(=O)N=c2cc(-c3cc(C)cc(C)c3)[n-][nH]2)sc2nccn12 ZINC000486198852 502079899 /nfs/dbraw/zinc/07/98/99/502079899.db2.gz VXVPIVVALMFWFV-UHFFFAOYSA-N -1 3 351.435 3.385 20 0 FGADHM CCOC(=O)C[C@](C)([N-]S(=O)(=O)c1ccc(F)cc1Cl)C(C)C ZINC000478764695 502080002 /nfs/dbraw/zinc/08/00/02/502080002.db2.gz UECGJBTVSGVFJL-HNNXBMFYSA-N -1 3 365.854 3.125 20 0 FGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CCc2c1cccc2F ZINC000486244272 502096295 /nfs/dbraw/zinc/09/62/95/502096295.db2.gz SJHOBXCUNLRLNC-AWEZNQCLSA-N -1 3 355.818 3.454 20 0 FGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)CCSCc1ccccc1 ZINC000471647190 502097017 /nfs/dbraw/zinc/09/70/17/502097017.db2.gz ZKVXZODTGWIKGO-UHFFFAOYSA-N -1 3 364.492 3.320 20 0 FGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]CC1(c2cccc(F)c2)CC1 ZINC000486246591 502097173 /nfs/dbraw/zinc/09/71/73/502097173.db2.gz WHDDWKDLDNZQTN-UHFFFAOYSA-N -1 3 369.845 3.498 20 0 FGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H]1CCc2ccccc21 ZINC000486271284 502107198 /nfs/dbraw/zinc/10/71/98/502107198.db2.gz GENHNXDOIOSCOQ-CYBMUJFWSA-N -1 3 351.855 3.357 20 0 FGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]CCCCc1nc(C)cs1 ZINC000486274307 502108085 /nfs/dbraw/zinc/10/80/85/502108085.db2.gz WDIDCBGCWORYHG-UHFFFAOYSA-N -1 3 374.915 3.415 20 0 FGADHM CCc1cc(C(=O)NC[C@H](Cc2cccc(C)c2)C(=O)OC)ccc1[O-] ZINC000486304948 502117955 /nfs/dbraw/zinc/11/79/55/502117955.db2.gz OOKHPSSYXIWHRV-SFHVURJKSA-N -1 3 355.434 3.025 20 0 FGADHM CC[C@@H](CNC(=O)c1c[n-]c2ccc(Oc3ccccc3)cc2c1=O)OC ZINC000461466544 502124823 /nfs/dbraw/zinc/12/48/23/502124823.db2.gz VVDRPQANNYHOHZ-AWEZNQCLSA-N -1 3 366.417 3.475 20 0 FGADHM Cc1cc(C(=O)Nc2nnc(-c3ccco3)[n-]2)c(Br)s1 ZINC000471780603 502135863 /nfs/dbraw/zinc/13/58/63/502135863.db2.gz MDMSYFDJHOHKJD-UHFFFAOYSA-N -1 3 353.201 3.449 20 0 FGADHM Cc1cc(C(=O)Nc2nc(-c3ccco3)n[n-]2)c(Br)s1 ZINC000471780603 502135867 /nfs/dbraw/zinc/13/58/67/502135867.db2.gz MDMSYFDJHOHKJD-UHFFFAOYSA-N -1 3 353.201 3.449 20 0 FGADHM Cc1cc(C(=O)Nc2n[n-]c(-c3ccco3)n2)c(Br)s1 ZINC000471780603 502135869 /nfs/dbraw/zinc/13/58/69/502135869.db2.gz MDMSYFDJHOHKJD-UHFFFAOYSA-N -1 3 353.201 3.449 20 0 FGADHM CS(=O)(=O)[N-]c1cc(C(=O)Nc2ccccc2O)cc(C(F)(F)F)c1 ZINC000471789006 502136536 /nfs/dbraw/zinc/13/65/36/502136536.db2.gz CNSPOQRPHCEYGV-UHFFFAOYSA-N -1 3 374.340 3.035 20 0 FGADHM Cc1ccc2sc(C(=O)Nc3cc4c(cc3[O-])n(C)c(=O)n4C)cc2c1 ZINC000461616675 502154553 /nfs/dbraw/zinc/15/45/53/502154553.db2.gz YULYPERHBXGROA-UHFFFAOYSA-N -1 3 367.430 3.358 20 0 FGADHM C[C@@H]1C[C@H](CC(=O)Nc2cc3c(cc2[O-])n(C)c(=O)n3C)CC(C)(C)C1 ZINC000461623103 502155416 /nfs/dbraw/zinc/15/54/16/502155416.db2.gz HONOMYFKAGOWIM-CHWSQXEVSA-N -1 3 359.470 3.374 20 0 FGADHM CC(C)[C@H](CC(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C)c1ccccc1 ZINC000461622084 502155528 /nfs/dbraw/zinc/15/55/28/502155528.db2.gz BBEQMFMLHSMNLL-HNNXBMFYSA-N -1 3 367.449 3.351 20 0 FGADHM Cc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)CCC(C)C)n2)cc1F ZINC000471884499 502163822 /nfs/dbraw/zinc/16/38/22/502163822.db2.gz MBWNEOBARYXTLF-GFCCVEGCSA-N -1 3 355.435 3.211 20 0 FGADHM COc1cccc(CNC(=O)NCc2ncccc2[O-])c1OC1CCCC1 ZINC000471909713 502169233 /nfs/dbraw/zinc/16/92/33/502169233.db2.gz IUYOVZXECTXFIW-UHFFFAOYSA-N -1 3 371.437 3.117 20 0 FGADHM CCC[C@H](CC)NC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000471915400 502170479 /nfs/dbraw/zinc/17/04/79/502170479.db2.gz PMROGKVMLJFDBD-LBPRGKRZSA-N -1 3 366.405 3.385 20 0 FGADHM CCn1nccc1S(=O)(=O)[N-]c1ccc(Cl)cc1Br ZINC000471965065 502185220 /nfs/dbraw/zinc/18/52/20/502185220.db2.gz QJEWWIMONVMBHS-UHFFFAOYSA-N -1 3 364.652 3.120 20 0 FGADHM C[C@@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1ccc(-n2ccnn2)cc1 ZINC000468818141 502193442 /nfs/dbraw/zinc/19/34/42/502193442.db2.gz CVBKHILROMCYBU-CQSZACIVSA-N -1 3 368.412 3.312 20 0 FGADHM Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000482851753 502197073 /nfs/dbraw/zinc/19/70/73/502197073.db2.gz CODNKTRBFSKDQK-SNVBAGLBSA-N -1 3 371.363 3.238 20 0 FGADHM Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000482851753 502197075 /nfs/dbraw/zinc/19/70/75/502197075.db2.gz CODNKTRBFSKDQK-SNVBAGLBSA-N -1 3 371.363 3.238 20 0 FGADHM Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000482851753 502197079 /nfs/dbraw/zinc/19/70/79/502197079.db2.gz CODNKTRBFSKDQK-SNVBAGLBSA-N -1 3 371.363 3.238 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2C)C(F)(F)F ZINC000468831839 502198337 /nfs/dbraw/zinc/19/83/37/502198337.db2.gz FFYLASMTVZTXDC-ZDUSSCGKSA-N -1 3 372.368 3.049 20 0 FGADHM Cc1nc(C)c(CC(=O)Nc2ccccc2CCC(F)(F)F)c(=O)[n-]1 ZINC000465145152 502201226 /nfs/dbraw/zinc/20/12/26/502201226.db2.gz HTFMSLZEFQNLRW-UHFFFAOYSA-N -1 3 353.344 3.475 20 0 FGADHM CC(C)(Cc1ccc(Br)cc1)NC(=O)c1csc(=O)[n-]1 ZINC000472020147 502201986 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XLPNLFULBVZKQP-UHFFFAOYSA-N -1 3 354.385 3.197 20 0 FGADHM O=C([C@H]1Cc2ccccc2CN1Cc1cc([O-])cc(F)c1)N1CCCC1 ZINC000473132196 502523569 /nfs/dbraw/zinc/52/35/69/502523569.db2.gz JXSCMXUPJQJKPP-HXUWFJFHSA-N -1 3 354.425 3.081 20 0 FGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)c2cnc3ccsc3c2)c1 ZINC000607915197 506318602 /nfs/dbraw/zinc/31/86/02/506318602.db2.gz FDLTZYGNAMRSFD-UHFFFAOYSA-N -1 3 361.448 3.229 20 0 FGADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCN(Cc3ccc(F)cc3Cl)CC2)n1 ZINC000469739492 502526084 /nfs/dbraw/zinc/52/60/84/502526084.db2.gz KLLGPMHRCCAAIQ-CYBMUJFWSA-N -1 3 364.852 3.162 20 0 FGADHM C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000462680274 502531448 /nfs/dbraw/zinc/53/14/48/502531448.db2.gz PUYLDJLMSZNCNJ-OCCSQVGLSA-N -1 3 370.927 3.200 20 0 FGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H](C)Oc2ccccc2C)c1 ZINC000462699888 502539017 /nfs/dbraw/zinc/53/90/17/502539017.db2.gz LUKBHJCNMLFPGT-ZDUSSCGKSA-N -1 3 369.870 3.403 20 0 FGADHM O=S(=O)([N-][C@@H]1CC[C@H]2CCC[C@H]2C1)c1ccc(Br)cn1 ZINC000462705731 502540741 /nfs/dbraw/zinc/54/07/41/502540741.db2.gz NSBJPZBPPBZDQR-NTZNESFSSA-N -1 3 359.289 3.091 20 0 FGADHM C[C@H](C[N-]S(=O)(=O)c1ccc(F)c(F)c1)Oc1ccccc1Cl ZINC000462707632 502542203 /nfs/dbraw/zinc/54/22/03/502542203.db2.gz RRIKQLMRDUZPIF-SNVBAGLBSA-N -1 3 361.797 3.364 20 0 FGADHM Cc1ccc(O[C@H](C)C[N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)cc1 ZINC000462721122 502548687 /nfs/dbraw/zinc/54/86/87/502548687.db2.gz KQXTVAFFERYRQT-LLVKDONJSA-N -1 3 359.369 3.158 20 0 FGADHM C[C@H](Oc1cccc2ccccc21)C(=O)N=c1cc(OC(F)F)n(C)[n-]1 ZINC000469814654 502555820 /nfs/dbraw/zinc/55/58/20/502555820.db2.gz USMIXIKQRHUBOF-NSHDSACASA-N -1 3 361.348 3.003 20 0 FGADHM CCOC(=O)c1ccc(NC(=O)c2cc(Cl)cc3c2OCC3)c([O-])c1 ZINC000462764426 502561298 /nfs/dbraw/zinc/56/12/98/502561298.db2.gz TUSHGRRPPDYIQA-UHFFFAOYSA-N -1 3 361.781 3.410 20 0 FGADHM CCOC(=O)C1(CC(=O)Nc2ccc(OC(F)(F)F)cc2[O-])CCC1 ZINC000476694769 502566357 /nfs/dbraw/zinc/56/63/57/502566357.db2.gz UPYFXHKSWLECNZ-UHFFFAOYSA-N -1 3 361.316 3.353 20 0 FGADHM Cc1c2ccccc2n(C)c1C[N-]S(=O)(=O)c1cccc(F)c1F ZINC000480445182 502571324 /nfs/dbraw/zinc/57/13/24/502571324.db2.gz OFBGGDQEHXVFLT-UHFFFAOYSA-N -1 3 350.390 3.243 20 0 FGADHM Cc1onc(-c2ccccc2C)c1C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000476833127 502596919 /nfs/dbraw/zinc/59/69/19/502596919.db2.gz SRZZMSBSSWBXBV-UHFFFAOYSA-N -1 3 365.315 3.025 20 0 FGADHM Cc1onc(-c2ccccc2C)c1C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000476833127 502596924 /nfs/dbraw/zinc/59/69/24/502596924.db2.gz SRZZMSBSSWBXBV-UHFFFAOYSA-N -1 3 365.315 3.025 20 0 FGADHM Cc1onc(-c2ccccc2C)c1C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000476833127 502596927 /nfs/dbraw/zinc/59/69/27/502596927.db2.gz SRZZMSBSSWBXBV-UHFFFAOYSA-N -1 3 365.315 3.025 20 0 FGADHM O=C(c1c[n-]c2c(F)cc(F)cc2c1=O)N(Cc1ccncc1)C1CC1 ZINC000484257740 502609461 /nfs/dbraw/zinc/60/94/61/502609461.db2.gz NCEGJHVUCUTRMZ-UHFFFAOYSA-N -1 3 355.344 3.006 20 0 FGADHM CS(=O)(=O)[N-]c1cc(C(=O)NCc2ccc(C(F)F)cc2)ccc1F ZINC000462916480 502625457 /nfs/dbraw/zinc/62/54/57/502625457.db2.gz DLFFAATUINIHRM-UHFFFAOYSA-N -1 3 372.368 3.065 20 0 FGADHM CC(C)Cn1cnc(S(=O)(=O)[N-][C@@H]2CC[C@@H](c3ccc(F)cc3)C2)c1 ZINC000480733405 502656058 /nfs/dbraw/zinc/65/60/58/502656058.db2.gz UDYQPEUNTCMTQU-NVXWUHKLSA-N -1 3 365.474 3.293 20 0 FGADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)CCC(=O)OC(C)C)sc1Cl ZINC000480740348 502658332 /nfs/dbraw/zinc/65/83/32/502658332.db2.gz LEZVMFPYEUJEDD-JTQLQIEISA-N -1 3 353.893 3.109 20 0 FGADHM Cc1cc(Br)cc(Cl)c1C(=O)NCc1ncccc1[O-] ZINC000473631035 502660094 /nfs/dbraw/zinc/66/00/94/502660094.db2.gz VGKJXIXJWGQORB-UHFFFAOYSA-N -1 3 355.619 3.442 20 0 FGADHM CC(C)c1noc2nc(C3CC3)cc(C(=O)NCc3ncccc3[O-])c21 ZINC000473629679 502660135 /nfs/dbraw/zinc/66/01/35/502660135.db2.gz JTISVCFFMRSNFR-UHFFFAOYSA-N -1 3 352.394 3.254 20 0 FGADHM O=C(NCc1ncccc1[O-])c1ccn(-c2ccc(Cl)c(Cl)c2)n1 ZINC000473632572 502661512 /nfs/dbraw/zinc/66/15/12/502661512.db2.gz ZODSOYXOELQLPK-UHFFFAOYSA-N -1 3 363.204 3.210 20 0 FGADHM O=C(CCCOc1ccccc1Br)NCc1ncccc1[O-] ZINC000473637833 502662356 /nfs/dbraw/zinc/66/23/56/502662356.db2.gz WXFOVFLFJKOIKF-UHFFFAOYSA-N -1 3 365.227 3.025 20 0 FGADHM CO[C@H](C)[C@H](C)[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000466744936 502662319 /nfs/dbraw/zinc/66/23/19/502662319.db2.gz SVTRKWXQHZHXMN-VHSXEESVSA-N -1 3 360.888 3.165 20 0 FGADHM Cc1nn(-c2ccccc2)c2sc(C(=O)NCc3ncccc3[O-])cc12 ZINC000473636677 502662651 /nfs/dbraw/zinc/66/26/51/502662651.db2.gz GOVRBQJTXQFLOJ-UHFFFAOYSA-N -1 3 364.430 3.426 20 0 FGADHM Cc1nc2cc(C(=O)NCc3ncccc3[O-])ccc2n1-c1ccccc1 ZINC000473641135 502664314 /nfs/dbraw/zinc/66/43/14/502664314.db2.gz IPPDFQPNTCKPNQ-UHFFFAOYSA-N -1 3 358.401 3.365 20 0 FGADHM Cc1ccc(F)c(S(=O)(=O)[N-]C[C@](C)(Cc2ccccc2)[C@H](C)O)c1 ZINC000480774253 502667866 /nfs/dbraw/zinc/66/78/66/502667866.db2.gz YQCFGKDGNSNRPP-KXBFYZLASA-N -1 3 365.470 3.042 20 0 FGADHM Cc1nc(C)c(CC(=O)N[C@H]2c3ccccc3CC[C@@H]2C(C)C)c(=O)[n-]1 ZINC000463047335 502674313 /nfs/dbraw/zinc/67/43/13/502674313.db2.gz GLQXZQUDOGYXPP-OXQOHEQNSA-N -1 3 353.466 3.417 20 0 FGADHM O=C(NC[C@@H]1CCCC[C@@H]1C(F)(F)F)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000484628807 502688135 /nfs/dbraw/zinc/68/81/35/502688135.db2.gz ZVBFIKCMSLHYTG-ZANVPECISA-N -1 3 369.343 3.060 20 0 FGADHM C[C@H]1C[C@H](CCNC(=O)c2cncc([N-]S(C)(=O)=O)c2)CC(C)(C)C1 ZINC000470171067 502691768 /nfs/dbraw/zinc/69/17/68/502691768.db2.gz FEONRNGOXUOCOO-KBPBESRZSA-N -1 3 367.515 3.035 20 0 FGADHM [O-]c1cc(F)cc(CN(CCO)Cc2cccc(Br)c2)c1 ZINC000488377540 502697203 /nfs/dbraw/zinc/69/72/03/502697203.db2.gz HRCCOGCMIPXSBS-UHFFFAOYSA-N -1 3 354.219 3.288 20 0 FGADHM Cc1cc(CNC(=O)Cc2ccc(Br)cc2[O-])ccc1F ZINC000477186524 502702702 /nfs/dbraw/zinc/70/27/02/502702702.db2.gz FBLPNQIWGAUTAV-UHFFFAOYSA-N -1 3 352.203 3.461 20 0 FGADHM O=C(Cc1ccc(Br)cc1[O-])Nc1cccc(-c2nnco2)c1 ZINC000477193093 502704926 /nfs/dbraw/zinc/70/49/26/502704926.db2.gz MATSNUBHGHCWMZ-UHFFFAOYSA-N -1 3 374.194 3.386 20 0 FGADHM CO[C@H](C[N-]S(=O)(=O)Cc1c(Cl)cccc1Cl)C(C)(C)C ZINC000466872726 502709564 /nfs/dbraw/zinc/70/95/64/502709564.db2.gz YCLUFPGKZCAPJT-CYBMUJFWSA-N -1 3 354.299 3.474 20 0 FGADHM CCOC(=O)[C@H](CC)N(Cc1cc([O-])ccc1Br)C1CC1 ZINC000470246920 502715119 /nfs/dbraw/zinc/71/51/19/502715119.db2.gz JRJUYAUAVZAFTR-HNNXBMFYSA-N -1 3 356.260 3.461 20 0 FGADHM CCS[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC000480991841 502721590 /nfs/dbraw/zinc/72/15/90/502721590.db2.gz NMXYHVJFJPIUJB-NEPJUHHUSA-N -1 3 368.446 3.443 20 0 FGADHM O=C(CCCCC(=O)c1ccc(F)cc1)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000473849813 502724058 /nfs/dbraw/zinc/72/40/58/502724058.db2.gz MAARIWCDZGPSTR-QGZVFWFLSA-N -1 3 359.401 3.204 20 0 FGADHM Cc1ccc(-c2nc(C)c(C(=O)N=c3cc([C@@H]4CCCO4)[n-][nH]3)s2)o1 ZINC000473857125 502727380 /nfs/dbraw/zinc/72/73/80/502727380.db2.gz MVQNRQCQJJBKEY-LBPRGKRZSA-N -1 3 358.423 3.269 20 0 FGADHM Cc1cc(OCCCC(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)ccc1Cl ZINC000473859432 502728221 /nfs/dbraw/zinc/72/82/21/502728221.db2.gz UNJFNHCPTMQZHP-INIZCTEOSA-N -1 3 363.845 3.443 20 0 FGADHM C[C@H](CCC1CC1)NC(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000470331610 502738482 /nfs/dbraw/zinc/73/84/82/502738482.db2.gz YEYWOPGURYZXKK-CQSZACIVSA-N -1 3 359.470 3.331 20 0 FGADHM C[C@H]1CC(C)(C)CC[C@@H]1[N-]S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC000484784907 502739651 /nfs/dbraw/zinc/73/96/51/502739651.db2.gz MPKGTPQSTROVFG-FZMZJTMJSA-N -1 3 368.474 3.204 20 0 FGADHM C[C@H]1CCc2sc(C(=O)Nc3ccc(Cc4nnn[n-]4)cc3)cc2C1 ZINC000473892658 502741407 /nfs/dbraw/zinc/74/14/07/502741407.db2.gz DBALXZLSLFQQCB-NSHDSACASA-N -1 3 353.451 3.229 20 0 FGADHM C[C@H]1CCc2sc(C(=O)Nc3ccc(Cc4nn[n-]n4)cc3)cc2C1 ZINC000473892658 502741413 /nfs/dbraw/zinc/74/14/13/502741413.db2.gz DBALXZLSLFQQCB-NSHDSACASA-N -1 3 353.451 3.229 20 0 FGADHM Cc1cc(S(=O)(=O)[N-][C@@H](Cc2ccccc2)CN(C)C)sc1Cl ZINC000473915224 502747447 /nfs/dbraw/zinc/74/74/47/502747447.db2.gz ZTZKRNIUCICNQJ-AWEZNQCLSA-N -1 3 372.943 3.161 20 0 FGADHM CC(C)Cn1cnc(S(=O)(=O)[N-][C@H](c2ccccc2)c2ccccn2)c1 ZINC000481078494 502748887 /nfs/dbraw/zinc/74/88/87/502748887.db2.gz HGRCJMWYIMBUCA-LJQANCHMSA-N -1 3 370.478 3.002 20 0 FGADHM CCc1cc(=O)[n-]c(CS[C@@H]2CCN(c3cccc(Cl)c3)C2=O)n1 ZINC000477366232 502755911 /nfs/dbraw/zinc/75/59/11/502755911.db2.gz QTLCJYRCJLIFRE-CQSZACIVSA-N -1 3 363.870 3.437 20 0 FGADHM COCC[C@H](Cc1ccco1)[N-]S(=O)(=O)c1cc(C)c(Cl)s1 ZINC000473952992 502760836 /nfs/dbraw/zinc/76/08/36/502760836.db2.gz XZKCWLXWFHGLSL-LLVKDONJSA-N -1 3 363.888 3.229 20 0 FGADHM Cn1[n-]c(-c2ccccc2Cl)nc1=NC(=O)c1cccc2cccnc21 ZINC000484889413 502766625 /nfs/dbraw/zinc/76/66/25/502766625.db2.gz XMRYUTZZBXDIOL-UHFFFAOYSA-N -1 3 363.808 3.358 20 0 FGADHM C[C@H]1CCc2c(sc([N-]C(=O)c3ncn(C)n3)c2C(=O)c2ccco2)C1 ZINC000463350958 502767389 /nfs/dbraw/zinc/76/73/89/502767389.db2.gz YCLUOIHOZKJJAX-JTQLQIEISA-N -1 3 370.434 3.078 20 0 FGADHM COc1ccc(F)c(NC(=O)Cc2ccc(Br)cc2[O-])c1 ZINC000477422775 502771420 /nfs/dbraw/zinc/77/14/20/502771420.db2.gz FHYCLKFDMAJUNK-UHFFFAOYSA-N -1 3 354.175 3.484 20 0 FGADHM COCCC1([N-]S(=O)(=O)c2csc(-c3ccccc3)n2)CCC1 ZINC000481258288 502798580 /nfs/dbraw/zinc/79/85/80/502798580.db2.gz NEWTXCJRWWZPFJ-UHFFFAOYSA-N -1 3 352.481 3.048 20 0 FGADHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)N[C@H]1CCCCC12CCCC2 ZINC000485053382 502810983 /nfs/dbraw/zinc/81/09/83/502810983.db2.gz KNWKETXHLVROSI-KRWDZBQOSA-N -1 3 369.465 3.111 20 0 FGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]CCOCC(F)(F)F ZINC000470557470 502811320 /nfs/dbraw/zinc/81/13/20/502811320.db2.gz XQLHUMDUHPNLCY-UHFFFAOYSA-N -1 3 371.764 3.252 20 0 FGADHM CCn1cnc(S(=O)(=O)[N-]Cc2ccc(-c3ccc(OC)cc3)cc2)c1 ZINC000474134907 502814062 /nfs/dbraw/zinc/81/40/62/502814062.db2.gz TWSYTVOGIUGKIZ-UHFFFAOYSA-N -1 3 371.462 3.057 20 0 FGADHM COC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000474155043 502816138 /nfs/dbraw/zinc/81/61/38/502816138.db2.gz AUAULDHNRORKAI-AWEZNQCLSA-N -1 3 357.834 3.015 20 0 FGADHM CO[C@H](C)CS(=O)(=O)[N-]c1cccc(-c2nc3ccccc3n2C)c1 ZINC000509089916 502818492 /nfs/dbraw/zinc/81/84/92/502818492.db2.gz NEENPDLDBBULRP-CYBMUJFWSA-N -1 3 359.451 3.017 20 0 FGADHM Cc1cccc(CNC(=O)c2cc(F)cc3nn[n-]c32)c1Br ZINC000505101046 502851364 /nfs/dbraw/zinc/85/13/64/502851364.db2.gz OFCZKNGZSVSUCB-UHFFFAOYSA-N -1 3 363.190 3.098 20 0 FGADHM Cc1cccc(CNC(=O)c2cc(F)cc3[n-]nnc32)c1Br ZINC000505101046 502851367 /nfs/dbraw/zinc/85/13/67/502851367.db2.gz OFCZKNGZSVSUCB-UHFFFAOYSA-N -1 3 363.190 3.098 20 0 FGADHM Cc1cccc(CNC(=O)c2cc(F)cc3n[n-]nc32)c1Br ZINC000505101046 502851370 /nfs/dbraw/zinc/85/13/70/502851370.db2.gz OFCZKNGZSVSUCB-UHFFFAOYSA-N -1 3 363.190 3.098 20 0 FGADHM CC(C)c1cccc(NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000505131462 502856735 /nfs/dbraw/zinc/85/67/35/502856735.db2.gz YVJNKIXPPXNOCW-UHFFFAOYSA-N -1 3 372.899 3.442 20 0 FGADHM CN(C)Cc1cc([N-]S(=O)(=O)c2ccc(F)c(F)c2)ccc1Cl ZINC000500782843 502863044 /nfs/dbraw/zinc/86/30/44/502863044.db2.gz WVMWDHCZRDPNGM-UHFFFAOYSA-N -1 3 360.813 3.481 20 0 FGADHM CSc1n[n-]c(NC(=O)c2cc(F)c(Br)c(Cl)c2)n1 ZINC000509534114 502929022 /nfs/dbraw/zinc/92/90/22/502929022.db2.gz WCQOLHFTCLKTKY-UHFFFAOYSA-N -1 3 365.615 3.334 20 0 FGADHM CSc1nc(NC(=O)c2cc(F)c(Br)c(Cl)c2)n[n-]1 ZINC000509534114 502929023 /nfs/dbraw/zinc/92/90/23/502929023.db2.gz WCQOLHFTCLKTKY-UHFFFAOYSA-N -1 3 365.615 3.334 20 0 FGADHM CC1(c2ccccc2)CCC(NC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)CC1 ZINC000489212777 502902159 /nfs/dbraw/zinc/90/21/59/502902159.db2.gz BBRJMXHTLSMOEO-UHFFFAOYSA-N -1 3 362.429 3.201 20 0 FGADHM CC[C@@H](C)c1nc([C@H](C)NC(=O)c2ccc(Br)c([O-])c2)n[nH]1 ZINC000489221992 502904742 /nfs/dbraw/zinc/90/47/42/502904742.db2.gz SHEGVVNDLHGCEE-BDAKNGLRSA-N -1 3 367.247 3.277 20 0 FGADHM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)CCc2cccc(Cl)c2)o1 ZINC000509456855 502907630 /nfs/dbraw/zinc/90/76/30/502907630.db2.gz ZGOYFKZZSFDUKV-MRXNPFEDSA-N -1 3 371.886 3.345 20 0 FGADHM CCc1noc(C)c1CNC(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000500997347 502909034 /nfs/dbraw/zinc/90/90/34/502909034.db2.gz DRCYYSHVRSHSPT-UHFFFAOYSA-N -1 3 364.401 3.412 20 0 FGADHM CSc1nnc(NC(=O)c2cc(F)c(Br)c(Cl)c2)[n-]1 ZINC000509534114 502929016 /nfs/dbraw/zinc/92/90/16/502929016.db2.gz WCQOLHFTCLKTKY-UHFFFAOYSA-N -1 3 365.615 3.334 20 0 FGADHM CO[C@@H](C)c1nsc(Sc2n[n-]c(-c3cc(F)cc(F)c3)n2)n1 ZINC000509548410 502933093 /nfs/dbraw/zinc/93/30/93/502933093.db2.gz HAXDOOLFBSIVAD-LURJTMIESA-N -1 3 355.395 3.460 20 0 FGADHM CC[C@@H](c1nnc([N-]C(=O)c2cnn3ccncc23)s1)c1ccccc1 ZINC000497428206 502956876 /nfs/dbraw/zinc/95/68/76/502956876.db2.gz XBUNKWDXZZPYAD-CYBMUJFWSA-N -1 3 364.434 3.375 20 0 FGADHM CS(=O)(=O)[N-]c1ccc(C(=O)NC2(c3ccccc3)CCCC2)cc1 ZINC000505666224 502962371 /nfs/dbraw/zinc/96/23/71/502962371.db2.gz WNYODDGYSMRDDN-UHFFFAOYSA-N -1 3 358.463 3.257 20 0 FGADHM CCCN(C)[C@H](CNC(=O)N=c1[n-]nc(C)s1)c1ccc(Cl)cc1 ZINC000513589472 502972981 /nfs/dbraw/zinc/97/29/81/502972981.db2.gz JOOGUHJTXYRLFN-CQSZACIVSA-N -1 3 367.906 3.126 20 0 FGADHM CN(C)CC1([N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)CCC1 ZINC000509709280 502973553 /nfs/dbraw/zinc/97/35/53/502973553.db2.gz CINISZUGJOHLNU-UHFFFAOYSA-N -1 3 370.824 3.121 20 0 FGADHM COc1ccc(C(=O)CCC(=O)Nc2nnc(-c3ccco3)[n-]2)c(Cl)c1 ZINC000505747106 502977202 /nfs/dbraw/zinc/97/72/02/502977202.db2.gz GAEKUIJHEDCIID-UHFFFAOYSA-N -1 3 374.784 3.328 20 0 FGADHM COc1ccc(C(=O)CCC(=O)Nc2nc(-c3ccco3)n[n-]2)c(Cl)c1 ZINC000505747106 502977208 /nfs/dbraw/zinc/97/72/08/502977208.db2.gz GAEKUIJHEDCIID-UHFFFAOYSA-N -1 3 374.784 3.328 20 0 FGADHM COc1ccc(C(=O)CCC(=O)Nc2n[n-]c(-c3ccco3)n2)c(Cl)c1 ZINC000505747106 502977211 /nfs/dbraw/zinc/97/72/11/502977211.db2.gz GAEKUIJHEDCIID-UHFFFAOYSA-N -1 3 374.784 3.328 20 0 FGADHM COC[C@@H]([N-]S(=O)(=O)c1ccc2nc(C)sc2c1)c1ccc(C)o1 ZINC000489548969 502983127 /nfs/dbraw/zinc/98/31/27/502983127.db2.gz LJZWIUZDIVVBME-CQSZACIVSA-N -1 3 366.464 3.172 20 0 FGADHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2cccc(-c3nccs3)c2)cc1 ZINC000489660671 503006472 /nfs/dbraw/zinc/00/64/72/503006472.db2.gz TUSNSXHINIOZFD-UHFFFAOYSA-N -1 3 373.459 3.434 20 0 FGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)c1nc2ccccc2s1 ZINC000513738062 503012775 /nfs/dbraw/zinc/01/27/75/503012775.db2.gz NNULDWYROBIEQM-UHFFFAOYSA-N -1 3 373.235 3.381 20 0 FGADHM O=C(NCc1cccnc1OC1CCCC1)c1c[n-]nc1-c1ccccn1 ZINC000582658851 506350607 /nfs/dbraw/zinc/35/06/07/506350607.db2.gz TXABMKKJZMPEPQ-UHFFFAOYSA-N -1 3 363.421 3.118 20 0 FGADHM CO[C@@H](C[N-]S(=O)(=O)Cc1ccc(Cl)cc1Cl)C(C)(C)C ZINC000501469346 503015140 /nfs/dbraw/zinc/01/51/40/503015140.db2.gz IQYYEHWMFQCQDB-ZDUSSCGKSA-N -1 3 354.299 3.474 20 0 FGADHM Cc1nc2ccc(S(=O)(=O)[N-][C@@H](c3nccc(C)n3)C3CC3)cc2s1 ZINC000489702088 503015457 /nfs/dbraw/zinc/01/54/57/503015457.db2.gz KYWNIIQXLMKOFN-MRXNPFEDSA-N -1 3 374.491 3.133 20 0 FGADHM C[C@H]1OCC[C@@]1(C)[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000509958367 503018722 /nfs/dbraw/zinc/01/87/22/503018722.db2.gz PHTFTVOQVIQDBG-PRHODGIISA-N -1 3 357.781 3.205 20 0 FGADHM Cc1cnn(Cc2ccccc2F)c1NC(=O)c1cc(F)cc2[n-]nnc21 ZINC000505973574 503023093 /nfs/dbraw/zinc/02/30/93/503023093.db2.gz LDZNPNWEHSZSEI-UHFFFAOYSA-N -1 3 368.347 3.042 20 0 FGADHM Cc1cnn(Cc2ccccc2F)c1NC(=O)c1cc(F)cc2nn[n-]c21 ZINC000505973574 503023094 /nfs/dbraw/zinc/02/30/94/503023094.db2.gz LDZNPNWEHSZSEI-UHFFFAOYSA-N -1 3 368.347 3.042 20 0 FGADHM Cc1cnn(Cc2ccccc2F)c1NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000505973574 503023095 /nfs/dbraw/zinc/02/30/95/503023095.db2.gz LDZNPNWEHSZSEI-UHFFFAOYSA-N -1 3 368.347 3.042 20 0 FGADHM COCCOc1cncc(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)c1 ZINC000513809226 503026944 /nfs/dbraw/zinc/02/69/44/503026944.db2.gz GZTJSVFSEUZFCV-UHFFFAOYSA-N -1 3 356.300 3.084 20 0 FGADHM COc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C)c2ccccc2OC)c1 ZINC000489771428 503030278 /nfs/dbraw/zinc/03/02/78/503030278.db2.gz RQJRJPXZCFCLFA-NSHDSACASA-N -1 3 355.843 3.397 20 0 FGADHM COc1ccc(Cl)c(S(=O)(=O)[N-][C@H](C)Cc2ccccc2F)c1 ZINC000489859859 503050702 /nfs/dbraw/zinc/05/07/02/503050702.db2.gz QYGFNGWJYXCQKN-LLVKDONJSA-N -1 3 357.834 3.397 20 0 FGADHM O=c1ccccn1Cc1ccc(CNCc2c(F)ccc([O-])c2F)cc1 ZINC000510123249 503054363 /nfs/dbraw/zinc/05/43/63/503054363.db2.gz IDSIOOLFNDJFGK-UHFFFAOYSA-N -1 3 356.372 3.170 20 0 FGADHM COc1cc(C(=O)Nc2cc3c(cc2Cl)OCCO3)cc(OC)c1[O-] ZINC000513969443 503057444 /nfs/dbraw/zinc/05/74/44/503057444.db2.gz WEJQHSBEOIRVHK-UHFFFAOYSA-N -1 3 365.769 3.086 20 0 FGADHM O=C(Nc1cc(F)ccc1[O-])[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC000501745993 503071012 /nfs/dbraw/zinc/07/10/12/503071012.db2.gz GBMGFGPTORCXJA-VIFPVBQESA-N -1 3 366.751 3.315 20 0 FGADHM CCOC(=O)c1cnc(C)c(C(=O)[N-]c2nc(-c3cccs3)ns2)c1 ZINC000497974251 503078756 /nfs/dbraw/zinc/07/87/56/503078756.db2.gz BFIPFTHXJNVNPE-UHFFFAOYSA-N -1 3 374.447 3.399 20 0 FGADHM Cc1c(C(=O)Nc2nnc(-c3c(F)cccc3F)[n-]2)cnn1CC(C)C ZINC000501865349 503096217 /nfs/dbraw/zinc/09/62/17/503096217.db2.gz ARTLNUNNDOCAJI-UHFFFAOYSA-N -1 3 360.368 3.163 20 0 FGADHM Cc1c(C(=O)Nc2nc(-c3c(F)cccc3F)n[n-]2)cnn1CC(C)C ZINC000501865349 503096219 /nfs/dbraw/zinc/09/62/19/503096219.db2.gz ARTLNUNNDOCAJI-UHFFFAOYSA-N -1 3 360.368 3.163 20 0 FGADHM Cc1c(C(=O)Nc2n[n-]c(-c3c(F)cccc3F)n2)cnn1CC(C)C ZINC000501865349 503096220 /nfs/dbraw/zinc/09/62/20/503096220.db2.gz ARTLNUNNDOCAJI-UHFFFAOYSA-N -1 3 360.368 3.163 20 0 FGADHM CC[C@@H](C)c1cc(C(=O)[N-]c2cc(Cl)cc(C(N)=O)c2OC)on1 ZINC000501869201 503097938 /nfs/dbraw/zinc/09/79/38/503097938.db2.gz WTNXPYSWUZADBK-MRVPVSSYSA-N -1 3 351.790 3.201 20 0 FGADHM CC[C@@H](C)N[C@@H](C[N-]S(=O)(=O)c1cc(F)ccc1Cl)c1ccco1 ZINC000510363508 503100288 /nfs/dbraw/zinc/10/02/88/503100288.db2.gz LSMSUEWGVJKXLR-RISCZKNCSA-N -1 3 374.865 3.480 20 0 FGADHM O=S(=O)([N-]C[C@H](NCc1ccccc1)c1ccco1)c1cccs1 ZINC000510425116 503112076 /nfs/dbraw/zinc/11/20/76/503112076.db2.gz AZWASGJUEHFNSR-HNNXBMFYSA-N -1 3 362.476 3.151 20 0 FGADHM CC(C)C[C@@H]1C[C@@H](NC(=O)Cc2ccc(Br)cc2[O-])CCO1 ZINC000498131471 503113483 /nfs/dbraw/zinc/11/34/83/503113483.db2.gz IBLCPWFIKLPWEA-LSDHHAIUSA-N -1 3 370.287 3.407 20 0 FGADHM Cc1ccc([O-])c(C(=O)N(CCO)Cc2cccc(Br)c2)c1 ZINC000490183158 503125014 /nfs/dbraw/zinc/12/50/14/503125014.db2.gz YEIMFYMEBCNWML-UHFFFAOYSA-N -1 3 364.239 3.098 20 0 FGADHM O=C(CN1CCOc2ccc(Cl)cc21)N1CCCc2cccc([O-])c21 ZINC000502008426 503126078 /nfs/dbraw/zinc/12/60/78/503126078.db2.gz SIEGIAFKWULTFG-UHFFFAOYSA-N -1 3 358.825 3.224 20 0 FGADHM CC[C@@H](NC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)c1ccc(C)cc1 ZINC000506572933 503137887 /nfs/dbraw/zinc/13/78/87/503137887.db2.gz QPSDWLWPHHOKNK-MRXNPFEDSA-N -1 3 364.442 3.387 20 0 FGADHM Cc1ccoc1C[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000490300775 503150350 /nfs/dbraw/zinc/15/03/50/503150350.db2.gz PPJQOFNQLCUVEZ-UHFFFAOYSA-N -1 3 364.648 3.482 20 0 FGADHM O=C(c1ccc(C(=O)N2C[C@@H](CO)c3ccccc32)cc1)c1cccc([O-])c1 ZINC000498305435 503154830 /nfs/dbraw/zinc/15/48/30/503154830.db2.gz JGWARCPQBMRUHM-SFHVURJKSA-N -1 3 373.408 3.360 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1ccc(Br)s1)c1ccncc1F ZINC000510623632 503157914 /nfs/dbraw/zinc/15/79/14/503157914.db2.gz YTNAQAGBOPVLKS-ZETCQYMHSA-N -1 3 365.249 3.084 20 0 FGADHM NC(=O)c1ccc(Cl)c([N-]S(=O)(=O)CCc2cccc(Cl)c2)c1 ZINC000506728944 503162187 /nfs/dbraw/zinc/16/21/87/503162187.db2.gz GRLFDKNTWDGDFP-UHFFFAOYSA-N -1 3 373.261 3.077 20 0 FGADHM CCc1nc(C(=O)[N-]c2nnc(Cc3cccc(OC)c3)s2)c(C)o1 ZINC000510680590 503171224 /nfs/dbraw/zinc/17/12/24/503171224.db2.gz KNGZSIAIQCJFIC-UHFFFAOYSA-N -1 3 358.423 3.249 20 0 FGADHM CC(C)COc1ccccc1NC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000490429159 503172726 /nfs/dbraw/zinc/17/27/26/503172726.db2.gz HQTCWFTZJLWWMF-UHFFFAOYSA-N -1 3 362.451 3.345 20 0 FGADHM CC(C)Cn1c(=O)[n-]c(=O)c2c(C(=O)N(C)C(C)(C)C)cc(C(C)C)nc21 ZINC000514732212 503179122 /nfs/dbraw/zinc/17/91/22/503179122.db2.gz UCPBVHNXWJMRGI-UHFFFAOYSA-N -1 3 374.485 3.147 20 0 FGADHM O=C(c1c[n-]c2c(F)cc(F)cc2c1=O)N1CCc2c(F)cccc2C1 ZINC000502358445 503185609 /nfs/dbraw/zinc/18/56/09/503185609.db2.gz DQJOBXIQIBFQGY-UHFFFAOYSA-N -1 3 358.319 3.144 20 0 FGADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)[C@H]2OCCc3sccc32)c(F)cc1F ZINC000490511928 503186670 /nfs/dbraw/zinc/18/66/70/503186670.db2.gz JHLRWLGJARHUGV-MGPLVRAMSA-N -1 3 373.446 3.316 20 0 FGADHM CCn1cc(S(=O)(=O)[N-][C@@H](CC(F)(F)F)c2ccccc2)nc1C ZINC000502450279 503202124 /nfs/dbraw/zinc/20/21/24/503202124.db2.gz IAKDNIXJOYJJPR-ZDUSSCGKSA-N -1 3 361.389 3.183 20 0 FGADHM CCn1cc(S(=O)(=O)[N-][C@H]2C[C@H]2c2ccccc2C(F)(F)F)nc1C ZINC000502463155 503204431 /nfs/dbraw/zinc/20/44/31/503204431.db2.gz DHVMSPPJAKDHGF-JSGCOSHPSA-N -1 3 373.400 3.065 20 0 FGADHM CC(C)Cn1cc([N-]c2nc(C(C)C)nc(N(C)C)n2)c(C(F)F)n1 ZINC000502463651 503204459 /nfs/dbraw/zinc/20/44/59/503204459.db2.gz GQTLGHJJPLFOCG-UHFFFAOYSA-N -1 3 353.421 3.017 20 0 FGADHM Cc1cccc([O-])c1NC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000490635483 503207643 /nfs/dbraw/zinc/20/76/43/503207643.db2.gz CPMVBNWYSQQIGM-UHFFFAOYSA-N -1 3 356.466 3.362 20 0 FGADHM COc1nc(NC(=O)CCCC(=O)c2ccc(Cl)c(Cl)c2)n[n-]1 ZINC000490719975 503218355 /nfs/dbraw/zinc/21/83/55/503218355.db2.gz OPTJOPQKQITREJ-UHFFFAOYSA-N -1 3 357.197 3.112 20 0 FGADHM COc1nnc(NC(=O)CCCC(=O)c2ccc(Cl)c(Cl)c2)[n-]1 ZINC000490719975 503218356 /nfs/dbraw/zinc/21/83/56/503218356.db2.gz OPTJOPQKQITREJ-UHFFFAOYSA-N -1 3 357.197 3.112 20 0 FGADHM COc1n[n-]c(NC(=O)CCCC(=O)c2ccc(Cl)c(Cl)c2)n1 ZINC000490719975 503218359 /nfs/dbraw/zinc/21/83/59/503218359.db2.gz OPTJOPQKQITREJ-UHFFFAOYSA-N -1 3 357.197 3.112 20 0 FGADHM O=S(=O)([N-][C@H]1C[C@@H]1c1ccccc1OC(F)F)c1cncc(Cl)c1 ZINC000514906583 503224267 /nfs/dbraw/zinc/22/42/67/503224267.db2.gz LNAZXWUYWFMCKR-OLZOCXBDSA-N -1 3 374.796 3.171 20 0 FGADHM Cc1ccc(C(=O)N2CCN(Cc3c(F)ccc([O-])c3F)CC2)cc1F ZINC000507140061 503238593 /nfs/dbraw/zinc/23/85/93/503238593.db2.gz DCXBOXIFTKPWMR-UHFFFAOYSA-N -1 3 364.367 3.076 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)c1c(F)cncc1F ZINC000511037407 503239686 /nfs/dbraw/zinc/23/96/86/503239686.db2.gz YTCJWZREUHMZBT-ZETCQYMHSA-N -1 3 350.749 3.192 20 0 FGADHM CCc1ccccc1N1C[C@@H](C(=O)N2CCCc3cccc([O-])c32)CC1=O ZINC000490887172 503241602 /nfs/dbraw/zinc/24/16/02/503241602.db2.gz 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20 0 FGADHM COc1cccc(OCC(=O)N=c2cc(-c3cc(C)c(C)cc3C)[n-][nH]2)c1 ZINC000515984321 503427907 /nfs/dbraw/zinc/42/79/07/503427907.db2.gz IKJMOVNHBPJLQP-UHFFFAOYSA-N -1 3 365.433 3.450 20 0 FGADHM Cc1cccc([C@H](NC(=O)c2cc(F)cc3nn[n-]c32)c2ccccn2)c1 ZINC000503523864 503428309 /nfs/dbraw/zinc/42/83/09/503428309.db2.gz LOEIJVVEIURTNI-SFHVURJKSA-N -1 3 361.380 3.320 20 0 FGADHM Cc1cccc([C@H](NC(=O)c2cc(F)cc3[n-]nnc32)c2ccccn2)c1 ZINC000503523864 503428312 /nfs/dbraw/zinc/42/83/12/503428312.db2.gz LOEIJVVEIURTNI-SFHVURJKSA-N -1 3 361.380 3.320 20 0 FGADHM Cc1cccc([C@H](NC(=O)c2cc(F)cc3n[n-]nc32)c2ccccn2)c1 ZINC000503523864 503428314 /nfs/dbraw/zinc/42/83/14/503428314.db2.gz LOEIJVVEIURTNI-SFHVURJKSA-N -1 3 361.380 3.320 20 0 FGADHM COc1ccc2c(c1)[n-]cc(C(=O)Nc1cc(F)c(OC)c(F)c1)c2=O ZINC000515993770 503430088 /nfs/dbraw/zinc/43/00/88/503430088.db2.gz UWFLVGDXCREFIN-UHFFFAOYSA-N -1 3 360.316 3.076 20 0 FGADHM COc1ccc2c(c1)ncc(C(=O)Nc1cc(F)c(OC)c(F)c1)c2[O-] ZINC000515993770 503430094 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/nfs/dbraw/zinc/50/03/91/503500391.db2.gz UFCTXROPVSHXBU-AAEUAGOBSA-N -1 3 364.392 3.084 20 0 FGADHM O=S(=O)([N-]Cc1cccc(COc2ccccc2)c1)c1cncc(F)c1 ZINC000588905619 506375652 /nfs/dbraw/zinc/37/56/52/506375652.db2.gz UOSBOOPFHPXKJB-UHFFFAOYSA-N -1 3 372.421 3.278 20 0 FGADHM Cc1cc(C)c(-c2cc(=NC(=O)CCCNC(=O)C(C)(C)C)[nH][n-]2)cc1C ZINC000516395038 503507474 /nfs/dbraw/zinc/50/74/74/503507474.db2.gz IASMPLQGXTWRPP-UHFFFAOYSA-N -1 3 370.497 3.305 20 0 FGADHM O=C(Nc1nc(-c2sccc2Br)cs1)c1nc[n-]n1 ZINC000512347653 503525635 /nfs/dbraw/zinc/52/56/35/503525635.db2.gz QOPQZRAUONECFU-UHFFFAOYSA-N -1 3 356.230 3.005 20 0 FGADHM COC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@@H](C)CCCC(F)(F)F)c1 ZINC000494323285 503526121 /nfs/dbraw/zinc/52/61/21/503526121.db2.gz QVGJGEAKYMARMS-VIFPVBQESA-N -1 3 371.352 3.012 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]C[C@H]2CCC(C)(C)O2)sc1Br ZINC000494335202 503527340 /nfs/dbraw/zinc/52/73/40/503527340.db2.gz XZKFHLFFFSRZMM-SECBINFHSA-N -1 3 368.318 3.055 20 0 FGADHM CCOC(=O)COc1cccc(NC(=O)Cc2ccc([O-])cc2Cl)c1 ZINC000508622337 503530948 /nfs/dbraw/zinc/53/09/48/503530948.db2.gz ORXYHEICUXSABM-UHFFFAOYSA-N -1 3 363.797 3.169 20 0 FGADHM CCCc1cc(N2CCC(n3cc(C(=O)[O-])nn3)CC2)c2ccccc2n1 ZINC000516573469 503540657 /nfs/dbraw/zinc/54/06/57/503540657.db2.gz ZXQFISBUONXLNK-UHFFFAOYSA-N -1 3 365.437 3.319 20 0 FGADHM CC(C)(C(=O)N1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1)[C@H](N)c1ccccc1 ZINC000516585296 503542889 /nfs/dbraw/zinc/54/28/89/503542889.db2.gz NONBYDMUIJCFPV-CEXWTWQISA-N -1 3 366.461 3.039 20 0 FGADHM COC(=O)c1c(C)csc1[N-]C(=O)C(=O)N(CC(C)C)C1CCCC1 ZINC000500203612 503577781 /nfs/dbraw/zinc/57/77/81/503577781.db2.gz RPBDFXRZNYDTFN-UHFFFAOYSA-N -1 3 366.483 3.209 20 0 FGADHM COc1cc2c(cc1F)[n-]cc(C(=O)N1CCCc3ccccc31)c2=O ZINC000500247937 503588206 /nfs/dbraw/zinc/58/82/06/503588206.db2.gz CKFVEONSTKQCPE-UHFFFAOYSA-N -1 3 352.365 3.269 20 0 FGADHM COCCCC[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000500421055 503620599 /nfs/dbraw/zinc/62/05/99/503620599.db2.gz GMSXYLUKIAZERF-UHFFFAOYSA-N -1 3 360.888 3.168 20 0 FGADHM C[C@H](Cc1ccccc1)C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000509072323 503634823 /nfs/dbraw/zinc/63/48/23/503634823.db2.gz USRGYUHCYQQAMP-GFCCVEGCSA-N -1 3 358.239 3.336 20 0 FGADHM CCO[C@H]1C[C@@H](N(C)C(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)C1(C)C ZINC000500527824 503642161 /nfs/dbraw/zinc/64/21/61/503642161.db2.gz RQKLCYGYKDZMIW-CABCVRRESA-N -1 3 364.392 3.082 20 0 FGADHM COc1cc(CNCc2cnn3ccccc23)cc(Br)c1[O-] ZINC000512859185 503646294 /nfs/dbraw/zinc/64/62/94/503646294.db2.gz AMMQDESECRDZIA-UHFFFAOYSA-N -1 3 362.227 3.101 20 0 FGADHM Cn1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@H]2c2ccccc2C(F)(F)F)n1 ZINC000517027530 503647157 /nfs/dbraw/zinc/64/71/57/503647157.db2.gz LGGGASLAAONJQB-GXTWGEPZSA-N -1 3 373.400 3.054 20 0 FGADHM CO[C@H](c1ccc(F)cc1)[C@H](C)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000536642087 503655658 /nfs/dbraw/zinc/65/56/58/503655658.db2.gz SPSNNCCRZDSXHF-BUXKBTBVSA-N -1 3 354.381 3.173 20 0 FGADHM O=S(=O)([N-]C[C@H]1CCCCS1)c1cc(F)ccc1Br ZINC000543169108 503656856 /nfs/dbraw/zinc/65/68/56/503656856.db2.gz NHKMANLOJRFEPN-SNVBAGLBSA-N -1 3 368.293 3.152 20 0 FGADHM COc1ccc(-c2nc(CN3CC[C@](C)(C(=O)[O-])C3)cs2)cc1OC ZINC000517161417 503659171 /nfs/dbraw/zinc/65/91/71/503659171.db2.gz VQFGUSVOMIUCKH-SFHVURJKSA-N -1 3 362.451 3.124 20 0 FGADHM Cc1nc(C)c(CC(=O)Nc2ccc3c(c2)CCC2(CCC2)O3)c(=O)[n-]1 ZINC000529701888 503665746 /nfs/dbraw/zinc/66/57/46/503665746.db2.gz NFVCLRKNIUWQIJ-UHFFFAOYSA-N -1 3 353.422 3.228 20 0 FGADHM Cc1ncc(CNC(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[C@H]2C)c(=O)[n-]1 ZINC000543203853 503678659 /nfs/dbraw/zinc/67/86/59/503678659.db2.gz RFBMKBPZTDGWLM-UHNFBRDESA-N -1 3 360.845 3.341 20 0 FGADHM Cc1cc(Br)cc2c1CN(C(=O)c1cccc3[n-]nnc31)CC2 ZINC000527112049 503683194 /nfs/dbraw/zinc/68/31/94/503683194.db2.gz DMRJICOFIOBWRP-UHFFFAOYSA-N -1 3 371.238 3.227 20 0 FGADHM Cc1cc(Br)cc2c1CN(C(=O)c1cccc3nn[n-]c31)CC2 ZINC000527112049 503683201 /nfs/dbraw/zinc/68/32/01/503683201.db2.gz DMRJICOFIOBWRP-UHFFFAOYSA-N -1 3 371.238 3.227 20 0 FGADHM Cc1cc(Br)cc2c1CN(C(=O)c1cccc3n[n-]nc31)CC2 ZINC000527112049 503683204 /nfs/dbraw/zinc/68/32/04/503683204.db2.gz DMRJICOFIOBWRP-UHFFFAOYSA-N -1 3 371.238 3.227 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)CCOc3ccc(Cl)cc3)[n-]c21 ZINC000533004771 503693629 /nfs/dbraw/zinc/69/36/29/503693629.db2.gz UTZZNCYXOZHMLO-UHFFFAOYSA-N -1 3 373.796 3.411 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)CCOc3ccc(Cl)cc3)nc21 ZINC000533004771 503693636 /nfs/dbraw/zinc/69/36/36/503693636.db2.gz UTZZNCYXOZHMLO-UHFFFAOYSA-N -1 3 373.796 3.411 20 0 FGADHM CC[C@]1(O)CCN(Cc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)C1 ZINC000495214055 503700803 /nfs/dbraw/zinc/70/08/03/503700803.db2.gz ZWKBFBXNDSAJOS-IBGZPJMESA-N -1 3 355.463 3.411 20 0 FGADHM Cc1ncc(CNC(=O)Nc2ccc(OC(C)C)c(Cl)c2)c(=O)[n-]1 ZINC000543291775 503712942 /nfs/dbraw/zinc/71/29/42/503712942.db2.gz YQCCYVDBMKEMDS-UHFFFAOYSA-N -1 3 350.806 3.253 20 0 FGADHM O=C([N-]c1ncn(C2CCCCC2)n1)c1cn(-c2ccc(Cl)cc2)nn1 ZINC000543301122 503716220 /nfs/dbraw/zinc/71/62/20/503716220.db2.gz QGLMESAPIJDNIB-UHFFFAOYSA-N -1 3 371.832 3.270 20 0 FGADHM O=C(c1c[n-]c2ccncc2c1=O)N1CCC[C@H]1Cc1cc(F)ccc1F ZINC000517342752 503719861 /nfs/dbraw/zinc/71/98/61/503719861.db2.gz VNTFGJDZRGOKGF-AWEZNQCLSA-N -1 3 369.371 3.049 20 0 FGADHM Cc1ncc(CNC(=O)C[C@@H](C)c2ccccc2C(F)(F)F)c(=O)[n-]1 ZINC000543314252 503720529 /nfs/dbraw/zinc/72/05/29/503720529.db2.gz ANCXFADAXLSQOD-SNVBAGLBSA-N -1 3 353.344 3.319 20 0 FGADHM CC(C)[C@H](Oc1cccc(Cl)c1)C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000527208656 503720461 /nfs/dbraw/zinc/72/04/61/503720461.db2.gz CAVVHWWVEVYELB-WBVHZDCISA-N -1 3 363.845 3.379 20 0 FGADHM Cc1scc(-c2nc(-c3cccc([C@@]4(C)NC(=O)[N-]C4=O)c3)no2)c1C ZINC000546359880 503723672 /nfs/dbraw/zinc/72/36/72/503723672.db2.gz KDLXUIQAKGAVBO-GOSISDBHSA-N -1 3 368.418 3.137 20 0 FGADHM CC[C@@H](CSc1ccc(C)c(C)c1)NC(=O)NCc1cnc(C)[n-]c1=O ZINC000543341743 503731358 /nfs/dbraw/zinc/73/13/58/503731358.db2.gz PXEAOLDACWASEI-INIZCTEOSA-N -1 3 374.510 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/nfs/dbraw/zinc/76/14/86/503761486.db2.gz BHVJCQGXYYJANC-GXSJLCMTSA-N -1 3 353.419 3.076 20 0 FGADHM Cc1nnc(-c2cccc(C(=O)N=c3cc(-c4ccccc4C)[n-][nH]3)c2)o1 ZINC000540417408 503765080 /nfs/dbraw/zinc/76/50/80/503765080.db2.gz CEPAOPFUFROKEF-UHFFFAOYSA-N -1 3 359.389 3.418 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)c3cc(C)c(OC)c(C)c3)[n-]c21 ZINC000536932944 503765203 /nfs/dbraw/zinc/76/52/03/503765203.db2.gz CUYXARZAZLCMRC-UHFFFAOYSA-N -1 3 353.378 3.227 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cc(C)c(OC)c(C)c3)nc21 ZINC000536932944 503765208 /nfs/dbraw/zinc/76/52/08/503765208.db2.gz CUYXARZAZLCMRC-UHFFFAOYSA-N -1 3 353.378 3.227 20 0 FGADHM COCCOc1ccc(Cc2noc(-c3cc(-c4ccco4)[n-]n3)n2)cc1 ZINC000546493514 503767002 /nfs/dbraw/zinc/76/70/02/503767002.db2.gz DCWXVVQKEMLLJR-UHFFFAOYSA-N -1 3 366.377 3.336 20 0 FGADHM COCCOc1ccc(Cc2noc(-c3cc(-c4ccco4)n[n-]3)n2)cc1 ZINC000546493514 503767010 /nfs/dbraw/zinc/76/70/10/503767010.db2.gz DCWXVVQKEMLLJR-UHFFFAOYSA-N -1 3 366.377 3.336 20 0 FGADHM 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FGADHM C[C@H]1Oc2cc(F)ccc2[C@H]1[N-]S(=O)(=O)c1ccc2ncccc2c1 ZINC000553908790 505039864 /nfs/dbraw/zinc/03/98/64/505039864.db2.gz CSUUUHZCFLDXGN-ZMZPIMSZSA-N -1 3 358.394 3.174 20 0 FGADHM O=S(=O)([N-]C[C@H]1CCC[C@@H](CO)C1)c1ccc(Cl)cc1Cl ZINC000553912514 505041385 /nfs/dbraw/zinc/04/13/85/505041385.db2.gz VPLUZUDIHZNHDR-WDEREUQCSA-N -1 3 352.283 3.070 20 0 FGADHM CC1CCN([C@H](CNC(=O)C2(CC(=O)[O-])CCC2)c2cccs2)CC1 ZINC000566010092 505054492 /nfs/dbraw/zinc/05/44/92/505054492.db2.gz XKCAHRGBCXNOJF-OAHLLOKOSA-N -1 3 364.511 3.282 20 0 FGADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H]2CC3CCC2CC3)cc1Cl ZINC000566015809 505055741 /nfs/dbraw/zinc/05/57/41/505055741.db2.gz OKBVQQNEVVTGMP-QIMFLAQGSA-N -1 3 374.865 3.295 20 0 FGADHM C[N-]S(=O)(=O)c1cc(NC(=O)c2cc(C)c(Cl)cc2C)ccc1F ZINC000557071854 505059348 /nfs/dbraw/zinc/05/93/48/505059348.db2.gz GZNYNQQUJVTYCT-UHFFFAOYSA-N -1 3 370.833 3.256 20 0 FGADHM CCc1ccc([O-])c(C(=O)N[C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)c1 ZINC000554017495 505068978 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20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H]3CCCc4c3cnn4C)nc2)n1 ZINC000554307206 505140342 /nfs/dbraw/zinc/14/03/42/505140342.db2.gz ARTUJKIBGIYGTC-OAHLLOKOSA-N -1 3 350.426 3.030 20 0 FGADHM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C[C@@H](O)COCc1cccs1 ZINC000563454759 505145132 /nfs/dbraw/zinc/14/51/32/505145132.db2.gz HGSHXUNSTRHWRZ-AEFFLSMTSA-N -1 3 363.479 3.164 20 0 FGADHM Cc1[nH]c(=O)c(Br)cc1C(=O)N1CCCc2cccc([O-])c21 ZINC000560617641 505145222 /nfs/dbraw/zinc/14/52/22/505145222.db2.gz LDSLNKPGPIOYLQ-UHFFFAOYSA-N -1 3 363.211 3.157 20 0 FGADHM O=C([O-])c1ccc(Br)cc1CN1CCC[C@@H]2COCC[C@@H]21 ZINC000566363595 505153286 /nfs/dbraw/zinc/15/32/86/505153286.db2.gz PNLCVFCFOLJLDW-ABAIWWIYSA-N -1 3 354.244 3.148 20 0 FGADHM O=C([O-])[C@@H]1CN(Cc2nc(-c3ccsc3)no2)C[C@@H]1c1ccccc1 ZINC000566367726 505155878 /nfs/dbraw/zinc/15/58/78/505155878.db2.gz HAPABNFVBVHVOW-HUUCEWRRSA-N -1 3 355.419 3.098 20 0 FGADHM C[C@@]1(NC(=O)c2cc(F)c(F)c([O-])c2F)CCN(Cc2ccccc2)C1 ZINC000566402567 505165939 /nfs/dbraw/zinc/16/59/39/505165939.db2.gz FZBJGBQMJOQFOW-LJQANCHMSA-N -1 3 364.367 3.204 20 0 FGADHM COc1ccccc1[C@H]([N-]S(=O)(=O)Cc1cc(C)on1)c1ccccc1 ZINC000551149749 505166033 /nfs/dbraw/zinc/16/60/33/505166033.db2.gz XRJAYQYHFZUSBK-LJQANCHMSA-N -1 3 372.446 3.201 20 0 FGADHM CC[C@@](C)(COc1ncccc1Cl)NC(=O)N=c1cc2ccccn2[n-]1 ZINC000554412410 505168664 /nfs/dbraw/zinc/16/86/64/505168664.db2.gz ZLUYICJAEOXHLD-SFHVURJKSA-N -1 3 373.844 3.174 20 0 FGADHM Cc1nc2sccn2c1CN(C)C(=O)c1c[n-]c2ccc(C)cc2c1=O ZINC000557563257 505168948 /nfs/dbraw/zinc/16/89/48/505168948.db2.gz KHUBPTWEPSVIEH-UHFFFAOYSA-N -1 3 366.446 3.126 20 0 FGADHM Cc1cccc(S(=O)(=O)[N-]c2cc(C[S@@](C)=O)ccc2Cl)c1 ZINC000551170074 505169568 /nfs/dbraw/zinc/16/95/68/505169568.db2.gz MMJZOSBXXOCMMH-OAQYLSRUSA-N -1 3 357.884 3.328 20 0 FGADHM C[C@H](Cc1cccc(Br)c1)NC(=O)N=c1cc2ccccn2[n-]1 ZINC000554416579 505170765 /nfs/dbraw/zinc/17/07/65/505170765.db2.gz AIRZFTSGFBTGHZ-GFCCVEGCSA-N -1 3 373.254 3.271 20 0 FGADHM COc1cccc2c(C(=O)N3CCCN(C)c4cc(F)ccc43)[n-]nc21 ZINC000557594717 505177827 /nfs/dbraw/zinc/17/78/27/505177827.db2.gz FRWYZWAQMFAUSB-UHFFFAOYSA-N -1 3 354.385 3.197 20 0 FGADHM COc1cccc2c(C(=O)N3CCCN(C)c4cc(F)ccc43)n[n-]c21 ZINC000557594717 505177829 /nfs/dbraw/zinc/17/78/29/505177829.db2.gz FRWYZWAQMFAUSB-UHFFFAOYSA-N -1 3 354.385 3.197 20 0 FGADHM Cn1c(SCc2cc(=O)[n-]c(C3CC3)n2)nnc1-c1ccc(F)cc1 ZINC000560779301 505184204 /nfs/dbraw/zinc/18/42/04/505184204.db2.gz CSEMFVWFYTVGBF-UHFFFAOYSA-N -1 3 357.414 3.287 20 0 FGADHM CCOc1cc2c(cc1NC(=O)c1cc(F)cc3[n-]nnc31)O[C@H](C)C2 ZINC000563607179 505191442 /nfs/dbraw/zinc/19/14/42/505191442.db2.gz MOAGMCBWPIDDAX-SECBINFHSA-N -1 3 356.357 3.071 20 0 FGADHM CCOc1cc2c(cc1NC(=O)c1cc(F)cc3nn[n-]c31)O[C@H](C)C2 ZINC000563607179 505191446 /nfs/dbraw/zinc/19/14/46/505191446.db2.gz MOAGMCBWPIDDAX-SECBINFHSA-N -1 3 356.357 3.071 20 0 FGADHM CCOc1cc2c(cc1NC(=O)c1cc(F)cc3n[n-]nc31)O[C@H](C)C2 ZINC000563607179 505191451 /nfs/dbraw/zinc/19/14/51/505191451.db2.gz MOAGMCBWPIDDAX-SECBINFHSA-N -1 3 356.357 3.071 20 0 FGADHM CCN1CCN(c2ccc(C(=O)Nc3c([O-])cccc3Cl)cc2)CC1 ZINC000560822114 505193558 /nfs/dbraw/zinc/19/35/58/505193558.db2.gz ZELVYFYNHKZKJT-UHFFFAOYSA-N -1 3 359.857 3.440 20 0 FGADHM COC(=O)c1ccc(C(=O)Nc2cc(F)c(F)cc2N2CCCCC2)[n-]1 ZINC000560849529 505200953 /nfs/dbraw/zinc/20/09/53/505200953.db2.gz ILMQHENMDPLLAY-UHFFFAOYSA-N -1 3 363.364 3.322 20 0 FGADHM O=C(Nc1cc2c(cc1Cl)OCCCO2)c1cc(F)cc2[n-]nnc21 ZINC000554553620 505205913 /nfs/dbraw/zinc/20/59/13/505205913.db2.gz BZLUSDKQCMJGHT-UHFFFAOYSA-N -1 3 362.748 3.164 20 0 FGADHM O=C(Nc1cc2c(cc1Cl)OCCCO2)c1cc(F)cc2nn[n-]c21 ZINC000554553620 505205916 /nfs/dbraw/zinc/20/59/16/505205916.db2.gz BZLUSDKQCMJGHT-UHFFFAOYSA-N -1 3 362.748 3.164 20 0 FGADHM O=C(Nc1cc2c(cc1Cl)OCCCO2)c1cc(F)cc2n[n-]nc21 ZINC000554553620 505205922 /nfs/dbraw/zinc/20/59/22/505205922.db2.gz BZLUSDKQCMJGHT-UHFFFAOYSA-N -1 3 362.748 3.164 20 0 FGADHM C[C@@]1(c2cccc(-c3noc([C@H]4CC5CCC4CC5)n3)c2)NC(=O)[N-]C1=O ZINC000551354564 505207898 /nfs/dbraw/zinc/20/78/98/505207898.db2.gz ZSCBRLSYKPJQKV-NASVWYCQSA-N -1 3 366.421 3.085 20 0 FGADHM CC1(C)Cc2ccc(C(=O)N3CCC=C(c4cccnc4)C3)c([O-])c2O1 ZINC000566577835 505210911 /nfs/dbraw/zinc/21/09/11/505210911.db2.gz WGEONOULTNEDBP-UHFFFAOYSA-N -1 3 350.418 3.430 20 0 FGADHM COC(=O)c1ccccc1-c1ccc(CN2CCC[C@@H](CC(=O)[O-])C2)o1 ZINC000560927229 505211792 /nfs/dbraw/zinc/21/17/92/505211792.db2.gz BPNNRRGICOPUGI-AWEZNQCLSA-N -1 3 357.406 3.420 20 0 FGADHM CCOC(=O)c1cc([N-]S(=O)(=O)c2ccc(OC)cc2)c(F)cc1C ZINC000551386374 505214264 /nfs/dbraw/zinc/21/42/64/505214264.db2.gz YZAXAYPCQYAXDE-UHFFFAOYSA-N -1 3 367.398 3.120 20 0 FGADHM CCOc1ccncc1S(=O)(=O)[N-][C@H]1CC[C@@H](c2cccc(F)c2)C1 ZINC000566602482 505219339 /nfs/dbraw/zinc/21/93/39/505219339.db2.gz XWNQBQBJWRQOKD-ZBFHGGJFSA-N -1 3 364.442 3.234 20 0 FGADHM C[C@@H](CCc1ccccc1)[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000557830467 505239994 /nfs/dbraw/zinc/23/99/94/505239994.db2.gz FJKUARHULNGIPI-LBPRGKRZSA-N -1 3 358.385 3.400 20 0 FGADHM Cc1cc(CS(=O)(=O)[N-][C@H](CC(F)(F)F)c2ccccc2C)no1 ZINC000551516088 505240967 /nfs/dbraw/zinc/24/09/67/505240967.db2.gz WINVYNPVVMUNBX-CQSZACIVSA-N -1 3 362.373 3.405 20 0 FGADHM O=S(=O)([N-][C@H](CC(F)(F)F)c1ccccc1)c1cccc2c1OCO2 ZINC000554696763 505242668 /nfs/dbraw/zinc/24/26/68/505242668.db2.gz AIQKGZIZDFLXTQ-GFCCVEGCSA-N -1 3 373.352 3.387 20 0 FGADHM O=S(=O)([N-][C@H]1C[C@H](c2ccccc2)C1)c1cccnc1C(F)(F)F ZINC000557854441 505247160 /nfs/dbraw/zinc/24/71/60/505247160.db2.gz XIWURGQPDROMFA-JOCQHMNTSA-N -1 3 356.369 3.325 20 0 FGADHM Cc1ccc2c(CN(C)Cc3ccc(S(C)(=O)=O)cc3)ccc([O-])c2n1 ZINC000554820018 505272430 /nfs/dbraw/zinc/27/24/30/505272430.db2.gz FYTPWEJSHNUGEU-UHFFFAOYSA-N -1 3 370.474 3.284 20 0 FGADHM CCc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)CCC3(C)CC3)n2)cc1 ZINC000554902259 505294572 /nfs/dbraw/zinc/29/45/72/505294572.db2.gz XIZQLUSZKIPFAH-CYBMUJFWSA-N -1 3 363.483 3.470 20 0 FGADHM O=S(=O)([N-]CCCc1nccs1)c1cc(Cl)cc(Cl)c1 ZINC000566943713 505318318 /nfs/dbraw/zinc/31/83/18/505318318.db2.gz FOFBHBZZHIKRKK-UHFFFAOYSA-N -1 3 351.280 3.361 20 0 FGADHM CC(=O)c1cccc(NC(=O)Cc2csc(-c3cccnc3)n2)c1[O-] ZINC000564073842 505318696 /nfs/dbraw/zinc/31/86/96/505318696.db2.gz SDYFMZGERXLWNE-UHFFFAOYSA-N -1 3 353.403 3.295 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)c1ccc(C)c(C(=O)OC(C)C)c1)C(F)(F)F ZINC000564088629 505322396 /nfs/dbraw/zinc/32/23/96/505322396.db2.gz OUWLENALKYJXIC-ZDUSSCGKSA-N -1 3 367.389 3.179 20 0 FGADHM Cc1cc(Br)c(S(=O)(=O)[N-]Cc2ccc(C)cn2)s1 ZINC000567045511 505347506 /nfs/dbraw/zinc/34/75/06/505347506.db2.gz QIBJUJCFTKOIIA-UHFFFAOYSA-N -1 3 361.286 3.001 20 0 FGADHM O=c1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2OCC2CCC2)c[nH]1 ZINC000555134382 505359708 /nfs/dbraw/zinc/35/97/08/505359708.db2.gz FGKTUOQAJIMSSJ-UHFFFAOYSA-N -1 3 368.842 3.420 20 0 FGADHM O=C(c1ccc(C(=O)N2CCC[C@@H](CCO)CC2)cc1)c1cccc([O-])c1 ZINC000567102096 505364026 /nfs/dbraw/zinc/36/40/26/505364026.db2.gz 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O=C(N[C@@H]1CCN(c2cccc(Cl)c2)C1)c1c[n-]nc1-c1ccccn1 ZINC000567215591 505396834 /nfs/dbraw/zinc/39/68/34/505396834.db2.gz RDXLOPKQVWJVDW-CQSZACIVSA-N -1 3 367.840 3.134 20 0 FGADHM O=C(N=c1cc2ccccn2[n-]1)N[C@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000558466986 505399300 /nfs/dbraw/zinc/39/93/00/505399300.db2.gz JTNDEZGCXGRMMR-HIFRSBDPSA-N -1 3 360.339 3.453 20 0 FGADHM O=C(N=c1cc2ccccn2[n-]1)N[C@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000558478125 505403279 /nfs/dbraw/zinc/40/32/79/505403279.db2.gz NHDWKMABDCYXSW-RDJZCZTQSA-N -1 3 356.813 3.061 20 0 FGADHM C[C@H]1CCCN1S(=O)(=O)[N-]c1cccc(Cl)c1OCC(F)F ZINC000561699517 505413189 /nfs/dbraw/zinc/41/31/89/505413189.db2.gz LJAGEKKACIVUEZ-VIFPVBQESA-N -1 3 354.806 3.125 20 0 FGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]C1CC(C(C)(C)C)C1 ZINC000555406523 505425871 /nfs/dbraw/zinc/42/58/71/505425871.db2.gz WTTYLWRNTNMTNU-UHFFFAOYSA-N -1 3 359.875 3.230 20 0 FGADHM COCCOc1c(Cl)cc(S(=O)(=O)[N-]CC[C@H](C)F)cc1Cl ZINC000555414547 505427104 /nfs/dbraw/zinc/42/71/04/505427104.db2.gz UWGGXLKTDDMRET-VIFPVBQESA-N -1 3 374.261 3.045 20 0 FGADHM CCOC(=O)c1nn(-c2ccccc2)cc1C=Cc1nc(C)cc(=O)[n-]1 ZINC000555464292 505437324 /nfs/dbraw/zinc/43/73/24/505437324.db2.gz VWQJFURPHRULTA-KTKRTIGZSA-N -1 3 350.378 3.023 20 0 FGADHM COC(=O)[C@](C)(NCc1nc(=O)c2c(-c3ccco3)csc2[n-]1)C1CC1 ZINC000567351164 505438006 /nfs/dbraw/zinc/43/80/06/505438006.db2.gz DIKJJNHUUIZVBR-GOSISDBHSA-N -1 3 373.434 3.088 20 0 FGADHM COc1ccc(CN(CCCO)CC(C)(C)C)c(Br)c1[O-] ZINC000564513590 505438159 /nfs/dbraw/zinc/43/81/59/505438159.db2.gz OPSNEYJTGNFOIX-UHFFFAOYSA-N -1 3 360.292 3.394 20 0 FGADHM COc1c(NC(=O)c2cc([O-])ccc2Cl)cc(Cl)cc1C(N)=O ZINC000552244928 505438623 /nfs/dbraw/zinc/43/86/23/505438623.db2.gz NORDFYJBEMTMME-UHFFFAOYSA-N -1 3 355.177 3.059 20 0 FGADHM Cc1cc(-c2cc(C(=O)[N-]c3nc(C)n(C)n3)c3c(C)noc3n2)c(C)o1 ZINC000552255189 505442342 /nfs/dbraw/zinc/44/23/42/505442342.db2.gz RRKBEWBALYXQGX-UHFFFAOYSA-N -1 3 366.381 3.097 20 0 FGADHM COc1cccc2c(C(=O)N3CCN(C4CC4)c4ccc(F)cc43)[n-]nc21 ZINC000555525795 505446762 /nfs/dbraw/zinc/44/67/62/505446762.db2.gz GHBIPYNWTIUAIP-UHFFFAOYSA-N -1 3 366.396 3.340 20 0 FGADHM COc1cccc2c(C(=O)N3CCN(C4CC4)c4ccc(F)cc43)n[n-]c21 ZINC000555525795 505446766 /nfs/dbraw/zinc/44/67/66/505446766.db2.gz GHBIPYNWTIUAIP-UHFFFAOYSA-N -1 3 366.396 3.340 20 0 FGADHM O=C(N=c1[nH][n-]cc1Br)[C@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000552274541 505447470 /nfs/dbraw/zinc/44/74/70/505447470.db2.gz ZQOFSQMOLTVGJN-BQBZGAKWSA-N -1 3 358.598 3.129 20 0 FGADHM O=C(N=c1[nH][n-]cc1Br)[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000552274543 505447514 /nfs/dbraw/zinc/44/75/14/505447514.db2.gz ZQOFSQMOLTVGJN-RNFRBKRXSA-N -1 3 358.598 3.129 20 0 FGADHM COc1cc(C=Cc2nc(C)cc(=O)[n-]2)cc(OC)c1OCC(F)F ZINC000561846254 505448987 /nfs/dbraw/zinc/44/89/87/505448987.db2.gz NBWHZDVLKIXZHU-PLNGDYQASA-N -1 3 352.337 3.322 20 0 FGADHM Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N=c2[nH][n-]cc2Br)c1 ZINC000552288335 505451530 /nfs/dbraw/zinc/45/15/30/505451530.db2.gz OULMCWAKZNZZPG-NSHDSACASA-N -1 3 366.259 3.432 20 0 FGADHM Cc1ccc(-c2cc(C(=O)Nc3cccc(-c4n[nH]c(=O)[n-]4)c3)[nH]n2)cc1C ZINC000552287105 505451630 /nfs/dbraw/zinc/45/16/30/505451630.db2.gz BBTRRGUXGKIHTK-UHFFFAOYSA-N -1 3 374.404 3.437 20 0 FGADHM Cc1ccc2c(CN3CCN(c4cc(C5CC5)[nH]n4)CC3)ccc([O-])c2n1 ZINC000558722247 505473224 /nfs/dbraw/zinc/47/32/24/505473224.db2.gz YVGBCVNJYNXQIM-UHFFFAOYSA-N -1 3 363.465 3.172 20 0 FGADHM Cc1cc(Cn2nnc(C(=O)Nc3cc(C(C)(C)C)ccc3[O-])c2C)no1 ZINC000552364341 505473791 /nfs/dbraw/zinc/47/37/91/505473791.db2.gz HKFCSGFDIOPFHB-UHFFFAOYSA-N -1 3 369.425 3.187 20 0 FGADHM O=S(=O)([N-]C[C@H]1CCCOC1)c1cc(Cl)ccc1OCC1CCC1 ZINC000564712722 505499694 /nfs/dbraw/zinc/49/96/94/505499694.db2.gz PWJGXLLQJFKUNS-CQSZACIVSA-N -1 3 373.902 3.224 20 0 FGADHM Cn1[n-]c(=NC(=O)c2csc(C3CCCCC3)n2)cc1OC(F)F ZINC000564783524 505518431 /nfs/dbraw/zinc/51/84/31/505518431.db2.gz VEBRAEMOSYVNND-UHFFFAOYSA-N -1 3 356.398 3.200 20 0 FGADHM 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CS(=O)(=O)[N-]c1ccc(C(=O)NCCc2csc3ccccc23)cc1 ZINC000614273775 507436824 /nfs/dbraw/zinc/43/68/24/507436824.db2.gz DLMAOPJUGGNESJ-UHFFFAOYSA-N -1 3 374.487 3.245 20 0 FGADHM CC(=O)CCc1ccc(OCC(=O)Nc2cccc(C(C)=O)c2[O-])cc1 ZINC000584676531 507444525 /nfs/dbraw/zinc/44/45/25/507444525.db2.gz LKWZQVBAKWPSAR-UHFFFAOYSA-N -1 3 355.390 3.134 20 0 FGADHM COc1cc(C)c([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)cc1OC ZINC000592002425 507447603 /nfs/dbraw/zinc/44/76/03/507447603.db2.gz DZZGZVRZQYWYDV-LBPRGKRZSA-N -1 3 363.435 3.136 20 0 FGADHM CSC[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC000592031556 507460321 /nfs/dbraw/zinc/46/03/21/507460321.db2.gz ALUFDMPJHANUDM-SSDOTTSWSA-N -1 3 363.810 3.268 20 0 FGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@]1(c2ccccc2)CC1(C)C ZINC000595412985 507484855 /nfs/dbraw/zinc/48/48/55/507484855.db2.gz VFYIFYBPBSKYJM-KRWDZBQOSA-N -1 3 365.476 3.138 20 0 FGADHM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc4nccn4c3)cc(Cl)c2O1 ZINC000606753297 507498133 /nfs/dbraw/zinc/49/81/33/507498133.db2.gz VUBBXKONMLLUER-SNVBAGLBSA-N -1 3 363.826 3.112 20 0 FGADHM COC(=O)c1cc(S(=O)(=O)[N-][C@@H](C)C(C)(C)c2ccccc2)c(C)o1 ZINC000611105388 507517537 /nfs/dbraw/zinc/51/75/37/507517537.db2.gz HDMWJZZRBHYIFG-ZDUSSCGKSA-N -1 3 365.451 3.019 20 0 FGADHM O=S(=O)([N-]Cc1ccccc1OCC1CC1)c1cc(F)cc(F)c1 ZINC000606908582 507553160 /nfs/dbraw/zinc/55/31/60/507553160.db2.gz RCVQWFDEOWMKDU-UHFFFAOYSA-N -1 3 353.390 3.232 20 0 FGADHM CC(C)(C)OC(=O)[C@H]1CCCN1C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000598688759 507554218 /nfs/dbraw/zinc/55/42/18/507554218.db2.gz BVZYVAQJNRKPLY-CYBMUJFWSA-N -1 3 359.344 3.357 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)CCCOc3ccc(C)cc3)[n-]c21 ZINC000611213956 507564937 /nfs/dbraw/zinc/56/49/37/507564937.db2.gz VEBKBJCNTVGXQT-UHFFFAOYSA-N -1 3 367.405 3.456 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)CCCOc3ccc(C)cc3)nc21 ZINC000611213956 507564941 /nfs/dbraw/zinc/56/49/41/507564941.db2.gz VEBKBJCNTVGXQT-UHFFFAOYSA-N -1 3 367.405 3.456 20 0 FGADHM CC(C)(C)OC(=O)[C@H]1c2ccccc2CCN1C(=O)c1cc(F)c[n-]c1=O ZINC000598777061 507596949 /nfs/dbraw/zinc/59/69/49/507596949.db2.gz OGAOLFKAUFISEK-MRXNPFEDSA-N -1 3 372.396 3.008 20 0 FGADHM COC(=O)c1sc2ccccc2c1CNC(=O)c1c([O-])cccc1O ZINC000611287871 507604970 /nfs/dbraw/zinc/60/49/70/507604970.db2.gz IERDETQJGZFOMT-UHFFFAOYSA-N -1 3 357.387 3.029 20 0 FGADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)[C@@H](C)CSCc2ccccc2)n1 ZINC000602169461 507613753 /nfs/dbraw/zinc/61/37/53/507613753.db2.gz FSTJJRIBVITVSP-ZDUSSCGKSA-N -1 3 359.495 3.411 20 0 FGADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)[C@@H](SCc1ccccc1)C(C)C)C2 ZINC000602193605 507624789 /nfs/dbraw/zinc/62/47/89/507624789.db2.gz HOYJWVKPSKHVHO-KRWDZBQOSA-N -1 3 357.479 3.291 20 0 FGADHM COc1c(C)cc(S(=O)(=O)[N-]c2cccc(-n3cccn3)c2)cc1C ZINC000614801545 507657806 /nfs/dbraw/zinc/65/78/06/507657806.db2.gz IHJDHZPSMYOULN-UHFFFAOYSA-N -1 3 357.435 3.299 20 0 FGADHM COc1cccc(OC)c1C(=O)N=c1cc(-c2cc(C)cc(C)c2)[n-][nH]1 ZINC000586758773 507661834 /nfs/dbraw/zinc/66/18/34/507661834.db2.gz WGSZXUHWSLSPQV-UHFFFAOYSA-N -1 3 351.406 3.385 20 0 FGADHM CC(C)(C)OC(=O)[C@@H](CNC(=O)NCc1ccc([O-])c(F)c1)C1CCC1 ZINC000595875075 507722141 /nfs/dbraw/zinc/72/21/41/507722141.db2.gz BMMBRAPNCNNVDC-AWEZNQCLSA-N -1 3 366.433 3.089 20 0 FGADHM COC(=O)c1cc(Cl)cc(NC(=O)[C@@H]2CCOc3ccccc32)c1[O-] ZINC000588095700 507759829 /nfs/dbraw/zinc/75/98/29/507759829.db2.gz CZRTZYRUNGDHBN-GFCCVEGCSA-N -1 3 361.781 3.337 20 0 FGADHM COC(=O)c1cc(Cl)cc(NC(=O)C[C@H]2CCC[C@H](OC)C2)c1[O-] ZINC000588096509 507759951 /nfs/dbraw/zinc/75/99/51/507759951.db2.gz HASJSCIWDIOZAZ-JQWIXIFHSA-N -1 3 355.818 3.366 20 0 FGADHM O=C(CCCOCCc1ccccc1)N=c1cc(-c2ccncc2)[n-][nH]1 ZINC000502973862 514864868 /nfs/dbraw/zinc/86/48/68/514864868.db2.gz ZCHHJMAZWDVNKP-UHFFFAOYSA-N -1 3 350.422 3.450 20 0 FGADHM COc1cccc(-c2nc(C(=O)[N-]c3ccn(-c4ccccc4)n3)no2)c1 ZINC000471401551 514870366 /nfs/dbraw/zinc/87/03/66/514870366.db2.gz OOPZMQYPHTWDEW-UHFFFAOYSA-N -1 3 361.361 3.183 20 0 FGADHM O=C(N=c1[n-]nc(-c2ccsc2)s1)NCCN1CCCCCC1 ZINC000503012480 514879010 /nfs/dbraw/zinc/87/90/10/514879010.db2.gz MBLZULIWXBHOOF-UHFFFAOYSA-N -1 3 351.501 3.264 20 0 FGADHM CCc1[n-][nH]c(=NC(=O)c2ccc(OC)cc2OCCOC(C)C)c1C ZINC000476920218 515249931 /nfs/dbraw/zinc/24/99/31/515249931.db2.gz VJPSEABCRUVJCF-UHFFFAOYSA-N -1 3 361.442 3.345 20 0 FGADHM Cc1ccccc1-c1cc(=NC(=O)[C@@H]2CCN(CC(F)(F)F)C2)[nH][n-]1 ZINC000472482457 515285768 /nfs/dbraw/zinc/28/57/68/515285768.db2.gz FFTDUSTVCSKMPL-GFCCVEGCSA-N -1 3 352.360 3.208 20 0 FGADHM COCc1n[n-]c(=NC[C@@H](c2ccc(OC)cc2)N2CCCCC2)s1 ZINC000477025861 515293155 /nfs/dbraw/zinc/29/31/55/515293155.db2.gz PLCSOMFHYNNOEA-INIZCTEOSA-N -1 3 362.499 3.332 20 0 FGADHM Cn1[n-]c(=NC(=O)c2csc(Cc3ccccc3)n2)cc1OC(F)F ZINC000490929136 515335755 /nfs/dbraw/zinc/33/57/55/515335755.db2.gz VPXIWJBVLKQYKU-UHFFFAOYSA-N -1 3 364.377 3.321 20 0 FGADHM Cn1[n-]c(=NC(=O)c2occc2COc2ccccc2)cc1OC(F)F ZINC000490971830 515345715 /nfs/dbraw/zinc/34/57/15/515345715.db2.gz PULNWABTUKPNFU-UHFFFAOYSA-N -1 3 363.320 3.446 20 0 FGADHM Cc1c(Br)scc1C(=O)N=c1cc(OC(F)F)n(C)[n-]1 ZINC000490979449 515347287 /nfs/dbraw/zinc/34/72/87/515347287.db2.gz YGUZKQBZTQAESA-UHFFFAOYSA-N -1 3 366.187 3.406 20 0 FGADHM Cn1[n-]c(=NC(=O)c2cc(Cl)cc3cccnc32)cc1OC(F)F ZINC000491003082 515353862 /nfs/dbraw/zinc/35/38/62/515353862.db2.gz MHWZWDZZXOXMCA-UHFFFAOYSA-N -1 3 352.728 3.475 20 0 FGADHM Cc1ccc(OCCCC(=O)N=c2cc(OC(F)F)n(C)[n-]2)c(C)c1 ZINC000491022209 515358480 /nfs/dbraw/zinc/35/84/80/515358480.db2.gz VRRBSVGFHWPBCT-UHFFFAOYSA-N -1 3 353.369 3.436 20 0 FGADHM CCN=c1[n-]c(C(=O)Nc2ccc(NC(=O)c3ccccc3)cn2)cs1 ZINC000482012047 515547638 /nfs/dbraw/zinc/54/76/38/515547638.db2.gz TVBCLUNWCRZIAL-UHFFFAOYSA-N -1 3 367.434 3.475 20 0 FGADHM CC(C)CCOCCNC(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482155598 515590220 /nfs/dbraw/zinc/59/02/20/515590220.db2.gz BGPJJKGKTALWPB-UHFFFAOYSA-N -1 3 369.263 3.281 20 0 FGADHM O=C(CCc1ccc(OC(F)F)cc1)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000473849715 515773193 /nfs/dbraw/zinc/77/31/93/515773193.db2.gz LUCZHWULQOAUGN-AWEZNQCLSA-N -1 3 351.353 3.434 20 0 FGADHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)c1ccn(-c2ccc(Cl)cc2)n1 ZINC000473849807 515773427 /nfs/dbraw/zinc/77/34/27/515773427.db2.gz LYQZTYJYUSQGSZ-OAHLLOKOSA-N -1 3 357.801 3.353 20 0 FGADHM CCN=c1[n-]c(C(=O)NC[C@H](C)Cc2ccc(OC)c(OC)c2)cs1 ZINC000478567167 515874457 /nfs/dbraw/zinc/87/44/57/515874457.db2.gz YXTPXBKCRRKRQT-GFCCVEGCSA-N -1 3 363.483 3.201 20 0 FGADHM CCN=c1[n-]c(C(=O)NC[C@@H](OC(C)C)c2ccccc2OC)cs1 ZINC000474894821 516227414 /nfs/dbraw/zinc/22/74/14/516227414.db2.gz TXPRBXLEDWGWSJ-MRXNPFEDSA-N -1 3 363.483 3.480 20 0 FGADHM Cc1cc(C)cc(-c2cc(=NC(=O)CNC(=O)c3ccccc3C)[nH][n-]2)c1 ZINC000512550110 516302974 /nfs/dbraw/zinc/30/29/74/516302974.db2.gz CDAJPJGZLBQFNE-UHFFFAOYSA-N -1 3 362.433 3.370 20 0 FGADHM COC(=O)c1ccccc1CC(=O)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1 ZINC000540489012 516580885 /nfs/dbraw/zinc/58/08/85/516580885.db2.gz CYTPJRLJOGKWJM-UHFFFAOYSA-N -1 3 371.343 3.323 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@H](C)c2cccnc2)c1-c1ccc2c(c1)OCCO2 ZINC000532516096 517017001 /nfs/dbraw/zinc/01/70/01/517017001.db2.gz DIHFYSABANKIKJ-GFCCVEGCSA-N -1 3 364.405 3.294 20 0 FGADHM Cc1ccccc1-c1cc(=NC(=O)CCn2ncc(=O)c3ccccc32)[nH][n-]1 ZINC000538222138 517512415 /nfs/dbraw/zinc/51/24/15/517512415.db2.gz RUDMBLLNEXGZCP-UHFFFAOYSA-N -1 3 373.416 3.124 20 0 FGADHM COc1nc(NC[C@@H]2CCCN(C)[C@@H]2c2cccs2)ccc1C(=O)[O-] ZINC000521050440 517593408 /nfs/dbraw/zinc/59/34/08/517593408.db2.gz OPPZAIUBPRYVHK-LRDDRELGSA-N -1 3 361.467 3.345 20 0 FGADHM CC(C)Oc1ccc(=NC(=O)N[C@H](CN)c2ccc3ccccc3c2)[n-]n1 ZINC000516259331 517640446 /nfs/dbraw/zinc/64/04/46/517640446.db2.gz GASVLOXIPQKHHI-QGZVFWFLSA-N -1 3 365.437 3.239 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@@H]2[C@H](C)[C@@H]2C2CC2)c1-c1ccc2c(c1)OCCO2 ZINC000530265947 517667514 /nfs/dbraw/zinc/66/75/14/517667514.db2.gz LZAZBNVXBLIYEP-FDOKIQAASA-N -1 3 353.422 3.387 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@@H]2CC(=O)N(CC(C)C)C2)c1-c1ccc(C)cc1 ZINC000530272512 517670245 /nfs/dbraw/zinc/67/02/45/517670245.db2.gz KXKXWMPEXUPQKZ-MRXNPFEDSA-N -1 3 354.454 3.137 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@@H](C)OC[C@@H]2CCCCO2)c1-c1ccccc1F ZINC000530275685 517673007 /nfs/dbraw/zinc/67/30/07/517673007.db2.gz MLIXCRGKSPVNPA-KGLIPLIRSA-N -1 3 361.417 3.437 20 0 FGADHM CCC(CC)N1C[C@H](C(=O)N=c2[nH][n-]c(C)c2-c2ccccc2F)CC1=O ZINC000530276875 517673591 /nfs/dbraw/zinc/67/35/91/517673591.db2.gz WQCIGINZHVBRJO-CYBMUJFWSA-N -1 3 372.444 3.500 20 0 FGADHM Cc1cc(C)c(-c2cc(=NC(=O)c3noc4c3COCC4)[nH][n-]2)cc1C ZINC000527596878 517782475 /nfs/dbraw/zinc/78/24/75/517782475.db2.gz FSHCRFZKDBDWJJ-UHFFFAOYSA-N -1 3 352.394 3.315 20 0 FGADHM CN1CC[C@H](NC(=O)N=c2[n-]nc(-c3ccco3)s2)[C@H]1c1ccccc1 ZINC000530462774 517790918 /nfs/dbraw/zinc/79/09/18/517790918.db2.gz YZQFEKBBDPKTAD-DZGCQCFKSA-N -1 3 369.450 3.365 20 0 FGADHM COc1ccc(CNC(=O)c2c[n-][nH]c2=NC(=O)[C@@H]2CCC(C)(C)C2)cc1 ZINC000542907021 517808796 /nfs/dbraw/zinc/80/87/96/517808796.db2.gz FLANHCIHFNHEIP-CQSZACIVSA-N -1 3 370.453 3.113 20 0 FGADHM CCN=c1[n-]c(C(=O)NC[C@@H](OC2CCCC2)C(F)(F)F)cs1 ZINC000617644550 520618640 /nfs/dbraw/zinc/61/86/40/520618640.db2.gz NULFFVHGILJUEA-LLVKDONJSA-N -1 3 351.394 3.195 20 0 FGADHM COC(=O)c1cncc(C(=O)N=c2[nH][n-]c(C)c2-c2cccc(Cl)c2)c1 ZINC000611362783 521120378 /nfs/dbraw/zinc/12/03/78/521120378.db2.gz ZARRUZVQATVYCY-UHFFFAOYSA-N -1 3 370.796 3.472 20 0 FGADHM COc1cccc(-c2c(C)[n-][nH]c2=NC(=O)[C@@H]2CCC(=O)c3cccn32)c1 ZINC000629694678 522399402 /nfs/dbraw/zinc/39/94/02/522399402.db2.gz ATJUKRMKTLGJIC-INIZCTEOSA-N -1 3 364.405 3.352 20 0 FGADHM COc1cccc(-c2c(C)[n-][nH]c2=NC(=O)[C@H](C)NC(=O)CC(C)(C)C)c1 ZINC000629695779 522400068 /nfs/dbraw/zinc/40/00/68/522400068.db2.gz MJUXARNSNVXTCT-ZDUSSCGKSA-N -1 3 372.469 3.273 20 0 FGADHM COc1ncc(Br)cc1CN=c1[n-]c(C(C)=O)c(C)s1 ZINC000624546576 522768808 /nfs/dbraw/zinc/76/88/08/522768808.db2.gz XWQUTPCDBFITTI-UHFFFAOYSA-N -1 3 356.245 3.432 20 0 FGADHM CC(C)(C)C[C@H](CO)NC(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482155618 561249239 /nfs/dbraw/zinc/24/92/39/561249239.db2.gz BLQMQXYJYQWQDB-LLVKDONJSA-N -1 3 369.263 3.015 20 0 FGADHM C[C@@H](CNC(=O)N=c1[n-]nc(CC(F)(F)F)s1)N1CCCC[C@@H]1C ZINC000483983227 561288933 /nfs/dbraw/zinc/28/89/33/561288933.db2.gz HPQDCBGTGYSQJR-UWVGGRQHSA-N -1 3 365.425 3.027 20 0 FGADHM COc1ccc(SC)c(OC)c1C(=O)N=c1cc(OC(F)F)n(C)[n-]1 ZINC000490928670 561440590 /nfs/dbraw/zinc/44/05/90/561440590.db2.gz SHPMERKHMKECIP-UHFFFAOYSA-N -1 3 373.381 3.013 20 0 FGADHM Cc1c(C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)nnn1-c1ccccc1Cl ZINC000525967027 562261548 /nfs/dbraw/zinc/26/15/48/562261548.db2.gz LOXKZPZWVUGJOH-AWEZNQCLSA-N -1 3 372.816 3.056 20 0 FGADHM COc1ccc(C)cc1-n1ccc(C(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)n1 ZINC000473842703 561058860 /nfs/dbraw/zinc/05/88/60/561058860.db2.gz LACHDDFJPKGZHQ-MRXNPFEDSA-N -1 3 367.409 3.016 20 0 FGADHM CC(C)NC(=O)Nc1cccc(C(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)c1 ZINC000473855755 561059245 /nfs/dbraw/zinc/05/92/45/561059245.db2.gz JRODWLNFXLUUEV-OAHLLOKOSA-N -1 3 357.414 3.043 20 0 FGADHM CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)N=c1cc(C)c(C)n[n-]1 ZINC000531813719 562457608 /nfs/dbraw/zinc/45/76/08/562457608.db2.gz UTQDZBIAUBGLDJ-SFHVURJKSA-N -1 3 368.485 3.007 20 0 FGADHM COc1cccc(S(=O)(=O)[N-]C[C@@H](OC)c2ccc(Cl)cc2)c1F ZINC000655525534 568148642 /nfs/dbraw/zinc/14/86/42/568148642.db2.gz JSCIYXYFNZITCG-CQSZACIVSA-N -1 3 373.833 3.154 20 0 FGADHM O=C([N-]c1nnc(-c2ccc(Cl)cc2)s1)c1cc2n(n1)CCCO2 ZINC000431900246 568395636 /nfs/dbraw/zinc/39/56/36/568395636.db2.gz IFEBAZUHYSFLCX-UHFFFAOYSA-N -1 3 361.814 3.090 20 0 FGADHM Cn1ncc(C2CC2)c1CNC(=O)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000618553168 568663569 /nfs/dbraw/zinc/66/35/69/568663569.db2.gz ZDIDDUSETTZLDL-UHFFFAOYSA-N -1 3 361.858 3.333 20 0 FGADHM CCc1c(C)sc(NC(=O)c2ccc(Cl)nc2C)c1-c1nnn[n-]1 ZINC000825687661 607785525 /nfs/dbraw/zinc/78/55/25/607785525.db2.gz LBZLCFZTICPFTE-UHFFFAOYSA-N -1 3 362.846 3.408 20 0 FGADHM CCc1c(C)sc(NC(=O)c2ccc(Cl)nc2C)c1-c1nn[n-]n1 ZINC000825687661 607785526 /nfs/dbraw/zinc/78/55/26/607785526.db2.gz LBZLCFZTICPFTE-UHFFFAOYSA-N -1 3 362.846 3.408 20 0 FGADHM C[C@@H](CC(=O)OCc1ccc(F)cc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000735977766 598846177 /nfs/dbraw/zinc/84/61/77/598846177.db2.gz RHXSQKZFZWJUBC-NSHDSACASA-N -1 3 358.348 3.382 20 0 FGADHM C[C@@H](CC(=O)OCc1ccc(F)cc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000735977766 598846179 /nfs/dbraw/zinc/84/61/79/598846179.db2.gz RHXSQKZFZWJUBC-NSHDSACASA-N -1 3 358.348 3.382 20 0 FGADHM C[C@@H](NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)C1CCCC1 ZINC000736117048 598879266 /nfs/dbraw/zinc/87/92/66/598879266.db2.gz GYPTWELVFWUFBS-SECBINFHSA-N -1 3 366.372 3.168 20 0 FGADHM C[C@@H](NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)C1CCCC1 ZINC000736117048 598879267 /nfs/dbraw/zinc/87/92/67/598879267.db2.gz GYPTWELVFWUFBS-SECBINFHSA-N -1 3 366.372 3.168 20 0 FGADHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)C[C@@H](C)c1ccccc1 ZINC000736038684 598889237 /nfs/dbraw/zinc/88/92/37/598889237.db2.gz WOKGPSVAVNJGKM-HUUCEWRRSA-N -1 3 366.421 3.371 20 0 FGADHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)C[C@@H](C)c1ccccc1 ZINC000736038684 598889239 /nfs/dbraw/zinc/88/92/39/598889239.db2.gz WOKGPSVAVNJGKM-HUUCEWRRSA-N -1 3 366.421 3.371 20 0 FGADHM Cc1nnc([C@@H](C)Sc2nc(-c3ccccc3)ccc2-c2nnn[n-]2)o1 ZINC000737520255 598902288 /nfs/dbraw/zinc/90/22/88/598902288.db2.gz GLIBYLDSIMBQMG-SNVBAGLBSA-N -1 3 365.422 3.473 20 0 FGADHM Cc1nnc([C@@H](C)Sc2nc(-c3ccccc3)ccc2-c2nn[n-]n2)o1 ZINC000737520255 598902290 /nfs/dbraw/zinc/90/22/90/598902290.db2.gz GLIBYLDSIMBQMG-SNVBAGLBSA-N -1 3 365.422 3.473 20 0 FGADHM Cc1ccccc1C[C@H]1CCCN1C(=O)c1sccc1-c1nnn[n-]1 ZINC000737426157 598934941 /nfs/dbraw/zinc/93/49/41/598934941.db2.gz KFYJYWKCJHGPTJ-CQSZACIVSA-N -1 3 353.451 3.084 20 0 FGADHM Cc1ccccc1C[C@H]1CCCN1C(=O)c1sccc1-c1nn[n-]n1 ZINC000737426157 598934942 /nfs/dbraw/zinc/93/49/42/598934942.db2.gz KFYJYWKCJHGPTJ-CQSZACIVSA-N -1 3 353.451 3.084 20 0 FGADHM COc1ccc(OC)c([C@@H](C)Nc2ncc(-c3nnn[n-]3)cc2Cl)c1 ZINC000737107646 598935922 /nfs/dbraw/zinc/93/59/22/598935922.db2.gz FGAJDNJECSMHEM-SECBINFHSA-N -1 3 360.805 3.105 20 0 FGADHM COc1ccc(OC)c([C@@H](C)Nc2ncc(-c3nn[n-]n3)cc2Cl)c1 ZINC000737107646 598935923 /nfs/dbraw/zinc/93/59/23/598935923.db2.gz FGAJDNJECSMHEM-SECBINFHSA-N -1 3 360.805 3.105 20 0 FGADHM COc1ccc(CN(c2ncc(-c3nnn[n-]3)cc2Cl)C2CC2)cc1 ZINC000737091319 598936236 /nfs/dbraw/zinc/93/62/36/598936236.db2.gz SYGLUUSKALGSKX-UHFFFAOYSA-N -1 3 356.817 3.093 20 0 FGADHM COc1ccc(CN(c2ncc(-c3nn[n-]n3)cc2Cl)C2CC2)cc1 ZINC000737091319 598936237 /nfs/dbraw/zinc/93/62/37/598936237.db2.gz SYGLUUSKALGSKX-UHFFFAOYSA-N -1 3 356.817 3.093 20 0 FGADHM CC(C)C[C@H]1CCCCCN1C(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000735795522 598943280 /nfs/dbraw/zinc/94/32/80/598943280.db2.gz NPQHUGIBYVAGOK-MRXNPFEDSA-N -1 3 357.458 3.063 20 0 FGADHM CC(C)C[C@H]1CCCCCN1C(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000735795522 598943281 /nfs/dbraw/zinc/94/32/81/598943281.db2.gz NPQHUGIBYVAGOK-MRXNPFEDSA-N -1 3 357.458 3.063 20 0 FGADHM CCN(c1cc(C)ccc1C)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000736564313 598948078 /nfs/dbraw/zinc/94/80/78/598948078.db2.gz DBHHCKAQPWSCDJ-UHFFFAOYSA-N -1 3 371.466 3.007 20 0 FGADHM CCN(c1cc(C)ccc1C)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000736564313 598948080 /nfs/dbraw/zinc/94/80/80/598948080.db2.gz DBHHCKAQPWSCDJ-UHFFFAOYSA-N -1 3 371.466 3.007 20 0 FGADHM O[C@@H](CNc1ccc(Cl)cc1-c1nnn[n-]1)c1ccccc1Cl ZINC000738383122 598974773 /nfs/dbraw/zinc/97/47/73/598974773.db2.gz OQUAPONVDRBKJB-AWEZNQCLSA-N -1 3 350.209 3.319 20 0 FGADHM O[C@@H](CNc1ccc(Cl)cc1-c1nn[n-]n1)c1ccccc1Cl ZINC000738383122 598974775 /nfs/dbraw/zinc/97/47/75/598974775.db2.gz OQUAPONVDRBKJB-AWEZNQCLSA-N -1 3 350.209 3.319 20 0 FGADHM CCN(C(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1)C1CC1 ZINC000736508901 598987840 /nfs/dbraw/zinc/98/78/40/598987840.db2.gz PSEHEVAJHGXYEN-UHFFFAOYSA-N -1 3 363.421 3.070 20 0 FGADHM C[C@H](CCC1CCCCC1)NC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000735985782 599007838 /nfs/dbraw/zinc/00/78/38/599007838.db2.gz MQGJPJMZTYWDKM-HUUCEWRRSA-N -1 3 371.485 3.499 20 0 FGADHM CN(C(=O)C[C@@H]1CCc2ccccc21)c1ccc(-c2nnn[n-]2)cc1F ZINC000736733577 599015403 /nfs/dbraw/zinc/01/54/03/599015403.db2.gz VICTWLNVWOFZNE-ZDUSSCGKSA-N -1 3 351.385 3.089 20 0 FGADHM CN(C(=O)C[C@@H]1CCc2ccccc21)c1ccc(-c2nn[n-]n2)cc1F ZINC000736733577 599015405 /nfs/dbraw/zinc/01/54/05/599015405.db2.gz VICTWLNVWOFZNE-ZDUSSCGKSA-N -1 3 351.385 3.089 20 0 FGADHM C[C@H](S[C@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1 ZINC000736189787 599012768 /nfs/dbraw/zinc/01/27/68/599012768.db2.gz QYZDECCAYPOPER-BONVTDFDSA-N -1 3 357.414 3.027 20 0 FGADHM C[C@H](S[C@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1 ZINC000736189787 599012770 /nfs/dbraw/zinc/01/27/70/599012770.db2.gz QYZDECCAYPOPER-BONVTDFDSA-N -1 3 357.414 3.027 20 0 FGADHM Cc1cccc([C@@H](C)NC(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)c1C ZINC000737390772 599019264 /nfs/dbraw/zinc/01/92/64/599019264.db2.gz VIBPAVAEHDSBNH-CABCVRRESA-N -1 3 365.437 3.128 20 0 FGADHM Cc1cccc([C@@H](C)NC(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)c1C ZINC000737390772 599019265 /nfs/dbraw/zinc/01/92/65/599019265.db2.gz VIBPAVAEHDSBNH-CABCVRRESA-N -1 3 365.437 3.128 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H]1CCC[C@@H](CC)C1 ZINC000736633795 599020651 /nfs/dbraw/zinc/02/06/51/599020651.db2.gz FHIYIYWRBKTLLK-OCCSQVGLSA-N -1 3 358.446 3.356 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H]1CCC[C@@H](CC)C1 ZINC000736633795 599020653 /nfs/dbraw/zinc/02/06/53/599020653.db2.gz FHIYIYWRBKTLLK-OCCSQVGLSA-N -1 3 358.446 3.356 20 0 FGADHM CC(C)C[C@H]1CCCCCN1C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000735796190 599021791 /nfs/dbraw/zinc/02/17/91/599021791.db2.gz WKROUTZJLBUWTM-QGZVFWFLSA-N -1 3 356.474 3.367 20 0 FGADHM CC(C)C[C@H]1CCCCCN1C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000735796190 599021793 /nfs/dbraw/zinc/02/17/93/599021793.db2.gz WKROUTZJLBUWTM-QGZVFWFLSA-N -1 3 356.474 3.367 20 0 FGADHM Cc1cccc2c(CC(=O)Nc3ccc(-c4nnn[n-]4)c(Cl)c3)c[nH]c21 ZINC000737411199 599036031 /nfs/dbraw/zinc/03/60/31/599036031.db2.gz ZJMMWPWAWOVCMJ-UHFFFAOYSA-N -1 3 366.812 3.491 20 0 FGADHM Cc1cccc2c(CC(=O)Nc3ccc(-c4nn[n-]n4)c(Cl)c3)c[nH]c21 ZINC000737411199 599036033 /nfs/dbraw/zinc/03/60/33/599036033.db2.gz ZJMMWPWAWOVCMJ-UHFFFAOYSA-N -1 3 366.812 3.491 20 0 FGADHM CCc1cc(CNC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)on1 ZINC000736676630 599036916 /nfs/dbraw/zinc/03/69/16/599036916.db2.gz QSFXHIRBGSJDJG-UHFFFAOYSA-N -1 3 374.404 3.014 20 0 FGADHM CCc1cc(CNC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)on1 ZINC000736676630 599036919 /nfs/dbraw/zinc/03/69/19/599036919.db2.gz QSFXHIRBGSJDJG-UHFFFAOYSA-N -1 3 374.404 3.014 20 0 FGADHM C[C@H]1CN(c2ncc(-c3nnn[n-]3)cc2Cl)C[C@H](c2ccc(F)cc2)O1 ZINC000820776983 599039417 /nfs/dbraw/zinc/03/94/17/599039417.db2.gz ONDAUYXBQBRRBN-ZUZCIYMTSA-N -1 3 374.807 3.021 20 0 FGADHM C[C@H]1CN(c2ncc(-c3nn[n-]n3)cc2Cl)C[C@H](c2ccc(F)cc2)O1 ZINC000820776983 599039419 /nfs/dbraw/zinc/03/94/19/599039419.db2.gz ONDAUYXBQBRRBN-ZUZCIYMTSA-N -1 3 374.807 3.021 20 0 FGADHM C[C@H]1CN(c2ccc(F)cc2-c2nnn[n-]2)C[C@H](c2ccc(F)cc2)O1 ZINC000820774385 599039918 /nfs/dbraw/zinc/03/99/18/599039918.db2.gz BSBSXXVJYRYFFI-APPDUMDISA-N -1 3 357.364 3.111 20 0 FGADHM C[C@H]1CN(c2ccc(F)cc2-c2nn[n-]n2)C[C@H](c2ccc(F)cc2)O1 ZINC000820774385 599039920 /nfs/dbraw/zinc/03/99/20/599039920.db2.gz BSBSXXVJYRYFFI-APPDUMDISA-N -1 3 357.364 3.111 20 0 FGADHM Fc1ccccc1CCNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000737668475 599040312 /nfs/dbraw/zinc/04/03/12/599040312.db2.gz GLDFDKXCBGDHKO-UHFFFAOYSA-N -1 3 352.295 3.074 20 0 FGADHM Fc1ccccc1CCNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000737668475 599040314 /nfs/dbraw/zinc/04/03/14/599040314.db2.gz GLDFDKXCBGDHKO-UHFFFAOYSA-N -1 3 352.295 3.074 20 0 FGADHM COCc1ccc(CNc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)cc1 ZINC000737018537 599043527 /nfs/dbraw/zinc/04/35/27/599043527.db2.gz XJSNFAKSDZWGED-UHFFFAOYSA-N -1 3 364.331 3.039 20 0 FGADHM COCc1ccc(CNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)cc1 ZINC000737018537 599043529 /nfs/dbraw/zinc/04/35/29/599043529.db2.gz XJSNFAKSDZWGED-UHFFFAOYSA-N -1 3 364.331 3.039 20 0 FGADHM CC1(C)[C@@H]2CN(c3c(-c4nnn[n-]4)cnc4ccc(OC(F)F)cc43)C[C@@H]21 ZINC000820585382 599049863 /nfs/dbraw/zinc/04/98/63/599049863.db2.gz MSYROTWQXSAISN-BETUJISGSA-N -1 3 372.379 3.109 20 0 FGADHM CC1(C)[C@@H]2CN(c3c(-c4nn[n-]n4)cnc4ccc(OC(F)F)cc43)C[C@@H]21 ZINC000820585382 599049867 /nfs/dbraw/zinc/04/98/67/599049867.db2.gz MSYROTWQXSAISN-BETUJISGSA-N -1 3 372.379 3.109 20 0 FGADHM C[C@@H](CCc1cccn1C)Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000820253906 599055001 /nfs/dbraw/zinc/05/50/01/599055001.db2.gz KSXUBIJTKBIBKV-JTQLQIEISA-N -1 3 365.363 3.052 20 0 FGADHM C[C@@H](CCc1cccn1C)Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000820253906 599055004 /nfs/dbraw/zinc/05/50/04/599055004.db2.gz KSXUBIJTKBIBKV-JTQLQIEISA-N -1 3 365.363 3.052 20 0 FGADHM COc1cccc(O[C@@H](C)CNc2cc(Cl)ccc2-c2nnn[n-]2)c1 ZINC000821872135 599062223 /nfs/dbraw/zinc/06/22/23/599062223.db2.gz JBYUCIWTHNMOPP-NSHDSACASA-N -1 3 359.817 3.408 20 0 FGADHM COc1cccc(O[C@@H](C)CNc2cc(Cl)ccc2-c2nn[n-]n2)c1 ZINC000821872135 599062225 /nfs/dbraw/zinc/06/22/25/599062225.db2.gz JBYUCIWTHNMOPP-NSHDSACASA-N -1 3 359.817 3.408 20 0 FGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1F)NCCC1=CCCCC1 ZINC000737947639 599064734 /nfs/dbraw/zinc/06/47/34/599064734.db2.gz NBLUIIACZRNXMR-UHFFFAOYSA-N -1 3 361.446 3.105 20 0 FGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1F)NCCC1=CCCCC1 ZINC000737947639 599064738 /nfs/dbraw/zinc/06/47/38/599064738.db2.gz NBLUIIACZRNXMR-UHFFFAOYSA-N -1 3 361.446 3.105 20 0 FGADHM C[C@@H]1CCC[C@H](NC(=O)CSc2ccc(-c3nnn[n-]3)cc2F)[C@@H]1C ZINC000736259568 599068267 /nfs/dbraw/zinc/06/82/67/599068267.db2.gz JOXPGSQYHRWYLY-GYSYKLTISA-N -1 3 363.462 3.039 20 0 FGADHM C[C@@H]1CCC[C@H](NC(=O)CSc2ccc(-c3nn[n-]n3)cc2F)[C@@H]1C ZINC000736259568 599068270 /nfs/dbraw/zinc/06/82/70/599068270.db2.gz JOXPGSQYHRWYLY-GYSYKLTISA-N -1 3 363.462 3.039 20 0 FGADHM C[C@H]1CN(c2c(-c3nnn[n-]3)cnc3c(F)ccc(F)c32)C[C@H](C)S1 ZINC000820766197 599073861 /nfs/dbraw/zinc/07/38/61/599073861.db2.gz AMVGWFZDUWWEOS-IUCAKERBSA-N -1 3 362.409 3.023 20 0 FGADHM C[C@H]1CN(c2c(-c3nn[n-]n3)cnc3c(F)ccc(F)c32)C[C@H](C)S1 ZINC000820766197 599073864 /nfs/dbraw/zinc/07/38/64/599073864.db2.gz AMVGWFZDUWWEOS-IUCAKERBSA-N -1 3 362.409 3.023 20 0 FGADHM COc1ccccc1O[C@H](C)CNc1c(Cl)cccc1-c1nnn[n-]1 ZINC000821904139 599077738 /nfs/dbraw/zinc/07/77/38/599077738.db2.gz REAJICZLJWIPOY-LLVKDONJSA-N -1 3 359.817 3.408 20 0 FGADHM COc1ccccc1O[C@H](C)CNc1c(Cl)cccc1-c1nn[n-]n1 ZINC000821904139 599077741 /nfs/dbraw/zinc/07/77/41/599077741.db2.gz REAJICZLJWIPOY-LLVKDONJSA-N -1 3 359.817 3.408 20 0 FGADHM C[C@H](NC(=O)CSCc1ccc(-c2nnn[n-]2)cc1)C1CCCCC1 ZINC000736104224 599078869 /nfs/dbraw/zinc/07/88/69/599078869.db2.gz FXDXVWWCMXPWCO-ZDUSSCGKSA-N -1 3 359.499 3.185 20 0 FGADHM C[C@H](NC(=O)CSCc1ccc(-c2nn[n-]n2)cc1)C1CCCCC1 ZINC000736104224 599078871 /nfs/dbraw/zinc/07/88/71/599078871.db2.gz FXDXVWWCMXPWCO-ZDUSSCGKSA-N -1 3 359.499 3.185 20 0 FGADHM C[C@H]1CCC[C@H](C)N(C(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)C1 ZINC000736244556 599086644 /nfs/dbraw/zinc/08/66/44/599086644.db2.gz KCDMNIYZLSGWDB-HOTGVXAUSA-N -1 3 371.485 3.453 20 0 FGADHM C[C@H]1CCC[C@H](C)N(C(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)C1 ZINC000736244556 599086648 /nfs/dbraw/zinc/08/66/48/599086648.db2.gz KCDMNIYZLSGWDB-HOTGVXAUSA-N -1 3 371.485 3.453 20 0 FGADHM Cn1ccnc1C[C@@H](Nc1ccc(F)cc1-c1nnn[n-]1)c1ccccc1 ZINC000822699274 599091134 /nfs/dbraw/zinc/09/11/34/599091134.db2.gz UNESTHRRAUMSJL-QGZVFWFLSA-N -1 3 363.400 3.135 20 0 FGADHM Cn1ccnc1C[C@@H](Nc1ccc(F)cc1-c1nn[n-]n1)c1ccccc1 ZINC000822699274 599091137 /nfs/dbraw/zinc/09/11/37/599091137.db2.gz UNESTHRRAUMSJL-QGZVFWFLSA-N -1 3 363.400 3.135 20 0 FGADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCCC(C)(C)CC1 ZINC000735735711 599093053 /nfs/dbraw/zinc/09/30/53/599093053.db2.gz UJMMTMVGUCBGHT-QGZVFWFLSA-N -1 3 371.485 3.309 20 0 FGADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCCC(C)(C)CC1 ZINC000735735711 599093055 /nfs/dbraw/zinc/09/30/55/599093055.db2.gz UJMMTMVGUCBGHT-QGZVFWFLSA-N -1 3 371.485 3.309 20 0 FGADHM CC[C@@H](Nc1cccc(F)c1-c1nnn[n-]1)c1ccc2c(c1)OCCO2 ZINC000820925755 599095294 /nfs/dbraw/zinc/09/52/94/599095294.db2.gz LLACOHYSKQKRRN-CYBMUJFWSA-N -1 3 355.373 3.340 20 0 FGADHM CC[C@@H](Nc1cccc(F)c1-c1nn[n-]n1)c1ccc2c(c1)OCCO2 ZINC000820925755 599095297 /nfs/dbraw/zinc/09/52/97/599095297.db2.gz LLACOHYSKQKRRN-CYBMUJFWSA-N -1 3 355.373 3.340 20 0 FGADHM CC(C)CN(CC(F)(F)F)C(=O)CSc1ccccc1-c1nnn[n-]1 ZINC000820087686 599341609 /nfs/dbraw/zinc/34/16/09/599341609.db2.gz WTJHTBUVZQHPEL-UHFFFAOYSA-N -1 3 373.404 3.006 20 0 FGADHM CC(C)CN(CC(F)(F)F)C(=O)CSc1ccccc1-c1nn[n-]n1 ZINC000820087686 599341612 /nfs/dbraw/zinc/34/16/12/599341612.db2.gz WTJHTBUVZQHPEL-UHFFFAOYSA-N -1 3 373.404 3.006 20 0 FGADHM C[C@@H](Sc1ccccc1-c1nnn[n-]1)C(=O)Nc1ccc(F)c(F)c1 ZINC000736192922 599108992 /nfs/dbraw/zinc/10/89/92/599108992.db2.gz NNJXLNLVQBZUKO-SECBINFHSA-N -1 3 361.377 3.264 20 0 FGADHM C[C@@H](Sc1ccccc1-c1nn[n-]n1)C(=O)Nc1ccc(F)c(F)c1 ZINC000736192922 599108993 /nfs/dbraw/zinc/10/89/93/599108993.db2.gz NNJXLNLVQBZUKO-SECBINFHSA-N -1 3 361.377 3.264 20 0 FGADHM Cc1ccccc1CN(Cc1ccccn1)c1ccc(-c2nnn[n-]2)cn1 ZINC000737427197 599120325 /nfs/dbraw/zinc/12/03/25/599120325.db2.gz AGILNMRMZWCGNR-UHFFFAOYSA-N -1 3 357.421 3.172 20 0 FGADHM Cc1ccccc1CN(Cc1ccccn1)c1ccc(-c2nn[n-]n2)cn1 ZINC000737427197 599120327 /nfs/dbraw/zinc/12/03/27/599120327.db2.gz AGILNMRMZWCGNR-UHFFFAOYSA-N -1 3 357.421 3.172 20 0 FGADHM c1ccc(CCc2nnc(SCc3ccc(-c4nnn[n-]4)cc3)o2)cc1 ZINC000823781041 599133874 /nfs/dbraw/zinc/13/38/74/599133874.db2.gz ZLRWXHSICOBBHY-UHFFFAOYSA-N -1 3 364.434 3.327 20 0 FGADHM c1ccc(CCc2nnc(SCc3ccc(-c4nn[n-]n4)cc3)o2)cc1 ZINC000823781041 599133875 /nfs/dbraw/zinc/13/38/75/599133875.db2.gz ZLRWXHSICOBBHY-UHFFFAOYSA-N -1 3 364.434 3.327 20 0 FGADHM O=C(/C=C/C1CC1)Nc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822924231 599142830 /nfs/dbraw/zinc/14/28/30/599142830.db2.gz ZHXMBPVUAUPLTR-MDZDMXLPSA-N -1 3 361.405 3.350 20 0 FGADHM O=C(/C=C/C1CC1)Nc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822924231 599142831 /nfs/dbraw/zinc/14/28/31/599142831.db2.gz ZHXMBPVUAUPLTR-MDZDMXLPSA-N -1 3 361.405 3.350 20 0 FGADHM Cc1cncc(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)nc2)c1 ZINC000822400135 599142836 /nfs/dbraw/zinc/14/28/36/599142836.db2.gz XTDOJOLEWWFOJQ-UHFFFAOYSA-N -1 3 373.376 3.010 20 0 FGADHM Cc1cncc(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)nc2)c1 ZINC000822400135 599142837 /nfs/dbraw/zinc/14/28/37/599142837.db2.gz XTDOJOLEWWFOJQ-UHFFFAOYSA-N -1 3 373.376 3.010 20 0 FGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NC[C@H](C)C(C)(C)C ZINC000735874810 599147074 /nfs/dbraw/zinc/14/70/74/599147074.db2.gz MKTMTQUCRKBBLJ-AWEZNQCLSA-N -1 3 358.490 3.469 20 0 FGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@H](C)C(C)(C)C ZINC000735874810 599147077 /nfs/dbraw/zinc/14/70/77/599147077.db2.gz MKTMTQUCRKBBLJ-AWEZNQCLSA-N -1 3 358.490 3.469 20 0 FGADHM CCCCC[C@H](C)CC(=O)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000821049944 599148310 /nfs/dbraw/zinc/14/83/10/599148310.db2.gz OCWUMTRTXVSMNP-INIZCTEOSA-N -1 3 370.501 3.122 20 0 FGADHM CCCCC[C@H](C)CC(=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000821049944 599148311 /nfs/dbraw/zinc/14/83/11/599148311.db2.gz OCWUMTRTXVSMNP-INIZCTEOSA-N -1 3 370.501 3.122 20 0 FGADHM C[C@@H](C(=O)OCCOc1c(-c2nnn[n-]2)cnc2ccccc21)C(C)(C)C ZINC000735571340 599153193 /nfs/dbraw/zinc/15/31/93/599153193.db2.gz BSSPLBMGFOAOJT-LBPRGKRZSA-N -1 3 369.425 3.019 20 0 FGADHM C[C@@H](C(=O)OCCOc1c(-c2nn[n-]n2)cnc2ccccc21)C(C)(C)C ZINC000735571340 599153194 /nfs/dbraw/zinc/15/31/94/599153194.db2.gz BSSPLBMGFOAOJT-LBPRGKRZSA-N -1 3 369.425 3.019 20 0 FGADHM C[C@@H](CC(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F)c1cccc(F)c1 ZINC000735977315 599159689 /nfs/dbraw/zinc/15/96/89/599159689.db2.gz VELCSZLKPLHKPH-NSHDSACASA-N -1 3 357.364 3.302 20 0 FGADHM C[C@@H](CC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F)c1cccc(F)c1 ZINC000735977315 599159692 /nfs/dbraw/zinc/15/96/92/599159692.db2.gz VELCSZLKPLHKPH-NSHDSACASA-N -1 3 357.364 3.302 20 0 FGADHM CC[C@H](C)C[C@H](C)NC(=O)c1cc(C2CC2)nc(SC)c1-c1nnn[n-]1 ZINC000820870076 599159960 /nfs/dbraw/zinc/15/99/60/599159960.db2.gz MOLJGTZZRNBPEM-QWRGUYRKSA-N -1 3 374.514 3.416 20 0 FGADHM CN(C)c1cccc(CSc2nc3c(cc2-c2nnn[n-]2)CCCC3)c1 ZINC000736781408 599160915 /nfs/dbraw/zinc/16/09/15/599160915.db2.gz ZNBVWJKIWYRYSY-UHFFFAOYSA-N -1 3 366.494 3.499 20 0 FGADHM CN(C)c1cccc(CSc2nc3c(cc2-c2nn[n-]n2)CCCC3)c1 ZINC000736781408 599160917 /nfs/dbraw/zinc/16/09/17/599160917.db2.gz ZNBVWJKIWYRYSY-UHFFFAOYSA-N -1 3 366.494 3.499 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000738163131 599161557 /nfs/dbraw/zinc/16/15/57/599161557.db2.gz OQHRORGKGDHDIM-UWVGGRQHSA-N -1 3 359.311 3.026 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000738163131 599161559 /nfs/dbraw/zinc/16/15/59/599161559.db2.gz OQHRORGKGDHDIM-UWVGGRQHSA-N -1 3 359.311 3.026 20 0 FGADHM CC[C@@H](C)C[C@@H](C)NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000820870338 599160430 /nfs/dbraw/zinc/16/04/30/599160430.db2.gz QSIZFHWBLFFNSD-HUUCEWRRSA-N -1 3 359.474 3.357 20 0 FGADHM CC[C@@H](C)C[C@@H](C)NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000820870338 599160432 /nfs/dbraw/zinc/16/04/32/599160432.db2.gz QSIZFHWBLFFNSD-HUUCEWRRSA-N -1 3 359.474 3.357 20 0 FGADHM Fc1ccc(Cl)cc1OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000737659692 599167820 /nfs/dbraw/zinc/16/78/20/599167820.db2.gz MFSQRSOOTQRQRH-UHFFFAOYSA-N -1 3 372.747 3.288 20 0 FGADHM Fc1ccc(Cl)cc1OCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000737659692 599167821 /nfs/dbraw/zinc/16/78/21/599167821.db2.gz MFSQRSOOTQRQRH-UHFFFAOYSA-N -1 3 372.747 3.288 20 0 FGADHM Fc1cc(-c2nnn[n-]2)ccc1SCCOCCOc1ccccc1 ZINC000737644820 599170459 /nfs/dbraw/zinc/17/04/59/599170459.db2.gz NDZDNMZHPNSLJV-UHFFFAOYSA-N -1 3 360.414 3.194 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1SCCOCCOc1ccccc1 ZINC000737644820 599170460 /nfs/dbraw/zinc/17/04/60/599170460.db2.gz NDZDNMZHPNSLJV-UHFFFAOYSA-N -1 3 360.414 3.194 20 0 FGADHM CC(C)Oc1ccc([C@H](O)CNc2ccc(Cl)cc2-c2nnn[n-]2)cc1 ZINC000735914810 599170668 /nfs/dbraw/zinc/17/06/68/599170668.db2.gz JXVKRGBRCQPJAV-QGZVFWFLSA-N -1 3 373.844 3.453 20 0 FGADHM CC(C)Oc1ccc([C@H](O)CNc2ccc(Cl)cc2-c2nn[n-]n2)cc1 ZINC000735914810 599170670 /nfs/dbraw/zinc/17/06/70/599170670.db2.gz JXVKRGBRCQPJAV-QGZVFWFLSA-N -1 3 373.844 3.453 20 0 FGADHM CC(C)[C@@H](CC(=O)NCc1cc(-c2nnn[n-]2)ccc1F)c1ccccc1 ZINC000820021743 599173100 /nfs/dbraw/zinc/17/31/00/599173100.db2.gz YEZSBNOMWHWEBJ-QGZVFWFLSA-N -1 3 367.428 3.452 20 0 FGADHM CC(C)[C@@H](CC(=O)NCc1cc(-c2nn[n-]n2)ccc1F)c1ccccc1 ZINC000820021743 599173101 /nfs/dbraw/zinc/17/31/01/599173101.db2.gz YEZSBNOMWHWEBJ-QGZVFWFLSA-N -1 3 367.428 3.452 20 0 FGADHM C[C@@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2)c1cccc(F)c1 ZINC000735570272 599177605 /nfs/dbraw/zinc/17/76/05/599177605.db2.gz MHTKMYANIZGDSP-SECBINFHSA-N -1 3 357.414 3.298 20 0 FGADHM C[C@@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2)c1cccc(F)c1 ZINC000735570272 599177607 /nfs/dbraw/zinc/17/76/07/599177607.db2.gz MHTKMYANIZGDSP-SECBINFHSA-N -1 3 357.414 3.298 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@H](C)c1cccc(F)c1 ZINC000736629650 599180524 /nfs/dbraw/zinc/18/05/24/599180524.db2.gz YVHDUBBDFPKOSV-LLVKDONJSA-N -1 3 356.357 3.114 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@H](C)c1cccc(F)c1 ZINC000736629650 599180526 /nfs/dbraw/zinc/18/05/26/599180526.db2.gz YVHDUBBDFPKOSV-LLVKDONJSA-N -1 3 356.357 3.114 20 0 FGADHM C[C@H](CC(=O)OCCOc1cccc(-c2nnn[n-]2)c1)c1cccc(F)c1 ZINC000735977354 599184779 /nfs/dbraw/zinc/18/47/79/599184779.db2.gz NVCHOAXIGNNRJA-CYBMUJFWSA-N -1 3 370.384 3.122 20 0 FGADHM C[C@H](CC(=O)OCCOc1cccc(-c2nn[n-]n2)c1)c1cccc(F)c1 ZINC000735977354 599184781 /nfs/dbraw/zinc/18/47/81/599184781.db2.gz NVCHOAXIGNNRJA-CYBMUJFWSA-N -1 3 370.384 3.122 20 0 FGADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccc(-c2ccccc2)n1C ZINC000736817534 599182889 /nfs/dbraw/zinc/18/28/89/599182889.db2.gz CNGNIWKQBVYTMP-UHFFFAOYSA-N -1 3 372.432 3.144 20 0 FGADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccc(-c2ccccc2)n1C ZINC000736817534 599182890 /nfs/dbraw/zinc/18/28/90/599182890.db2.gz CNGNIWKQBVYTMP-UHFFFAOYSA-N -1 3 372.432 3.144 20 0 FGADHM Cn1c(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)ccc1-c1ccccc1 ZINC000737594646 599188283 /nfs/dbraw/zinc/18/82/83/599188283.db2.gz VCSLKFUFWNUQJX-UHFFFAOYSA-N -1 3 362.368 3.264 20 0 FGADHM Cn1c(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)ccc1-c1ccccc1 ZINC000737594646 599188287 /nfs/dbraw/zinc/18/82/87/599188287.db2.gz VCSLKFUFWNUQJX-UHFFFAOYSA-N -1 3 362.368 3.264 20 0 FGADHM CCCNC(=O)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000736487456 599194452 /nfs/dbraw/zinc/19/44/52/599194452.db2.gz HZOLSPVQWLCHQS-UHFFFAOYSA-N -1 3 357.801 3.452 20 0 FGADHM CC(C)CN(C(=O)C[C@@H](C)n1cccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000735817531 599199071 /nfs/dbraw/zinc/19/90/71/599199071.db2.gz BHHLDAODKANFJN-OAHLLOKOSA-N -1 3 352.442 3.309 20 0 FGADHM CC(C)CN(C(=O)C[C@@H](C)n1cccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000735817531 599199073 /nfs/dbraw/zinc/19/90/73/599199073.db2.gz BHHLDAODKANFJN-OAHLLOKOSA-N -1 3 352.442 3.309 20 0 FGADHM O=C(NCC1CC1)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000738044169 599200951 /nfs/dbraw/zinc/20/09/51/599200951.db2.gz HRNBPHXBVKQBOT-UHFFFAOYSA-N -1 3 369.812 3.452 20 0 FGADHM O=C(NCC1CC1)c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000738044169 599200953 /nfs/dbraw/zinc/20/09/53/599200953.db2.gz HRNBPHXBVKQBOT-UHFFFAOYSA-N -1 3 369.812 3.452 20 0 FGADHM Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)c2sccc2-c2nnn[n-]2)o1 ZINC000822232762 599221678 /nfs/dbraw/zinc/22/16/78/599221678.db2.gz ALRUIPULYSCCHY-ZWNOBZJWSA-N -1 3 357.439 3.443 20 0 FGADHM Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)c2sccc2-c2nn[n-]n2)o1 ZINC000822232762 599221680 /nfs/dbraw/zinc/22/16/80/599221680.db2.gz ALRUIPULYSCCHY-ZWNOBZJWSA-N -1 3 357.439 3.443 20 0 FGADHM CC[C@H]1CCCN(C(=O)CSCc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736400466 599224486 /nfs/dbraw/zinc/22/44/86/599224486.db2.gz ONYXDWALLIISMA-AWEZNQCLSA-N -1 3 359.499 3.139 20 0 FGADHM CC[C@H]1CCCN(C(=O)CSCc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736400466 599224488 /nfs/dbraw/zinc/22/44/88/599224488.db2.gz ONYXDWALLIISMA-AWEZNQCLSA-N -1 3 359.499 3.139 20 0 FGADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)N1CCC[C@H]2CCC[C@@H]21 ZINC000737832793 599224999 /nfs/dbraw/zinc/22/49/99/599224999.db2.gz MDGWEXDDSSVMMK-QAPCUYQASA-N -1 3 369.469 3.207 20 0 FGADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)N1CCC[C@H]2CCC[C@@H]21 ZINC000737832793 599225002 /nfs/dbraw/zinc/22/50/02/599225002.db2.gz MDGWEXDDSSVMMK-QAPCUYQASA-N -1 3 369.469 3.207 20 0 FGADHM Cc1ccc(NC(=S)NCc2cc(-c3nnn[n-]3)ccc2F)cc1C ZINC000822254513 599229499 /nfs/dbraw/zinc/22/94/99/599229499.db2.gz LXMGCPUOEWHZOJ-UHFFFAOYSA-N -1 3 356.430 3.109 20 0 FGADHM Cc1ccc(NC(=S)NCc2cc(-c3nn[n-]n3)ccc2F)cc1C ZINC000822254513 599229502 /nfs/dbraw/zinc/22/95/02/599229502.db2.gz LXMGCPUOEWHZOJ-UHFFFAOYSA-N -1 3 356.430 3.109 20 0 FGADHM O=C(COc1ccccc1-c1nnn[n-]1)N1CCCCCc2ccccc21 ZINC000737924685 599232248 /nfs/dbraw/zinc/23/22/48/599232248.db2.gz INOSAWAWESOBID-UHFFFAOYSA-N -1 3 363.421 3.005 20 0 FGADHM O=C(COc1ccccc1-c1nn[n-]n1)N1CCCCCc2ccccc21 ZINC000737924685 599232251 /nfs/dbraw/zinc/23/22/51/599232251.db2.gz INOSAWAWESOBID-UHFFFAOYSA-N -1 3 363.421 3.005 20 0 FGADHM CCCOc1cccc(CC(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821134599 607264615 /nfs/dbraw/zinc/26/46/15/607264615.db2.gz ZFMUWRRMSSIXNW-CQSZACIVSA-N -1 3 365.437 3.075 20 0 FGADHM CCCOc1cccc(CC(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821134599 607264616 /nfs/dbraw/zinc/26/46/16/607264616.db2.gz ZFMUWRRMSSIXNW-CQSZACIVSA-N -1 3 365.437 3.075 20 0 FGADHM CCOc1cccc(NC(=S)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000821431616 599238622 /nfs/dbraw/zinc/23/86/22/599238622.db2.gz XQWHCFRPMWBJMK-GFCCVEGCSA-N -1 3 368.466 3.313 20 0 FGADHM CCOc1cccc(NC(=S)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000821431616 599238624 /nfs/dbraw/zinc/23/86/24/599238624.db2.gz XQWHCFRPMWBJMK-GFCCVEGCSA-N -1 3 368.466 3.313 20 0 FGADHM Cc1cccc(OCCC(=O)Nc2cccc(-c3nnn[n-]3)c2C)c1C ZINC000822328721 607267458 /nfs/dbraw/zinc/26/74/58/607267458.db2.gz RQORZIYSVDTJJR-UHFFFAOYSA-N -1 3 351.410 3.200 20 0 FGADHM Cc1cccc(OCCC(=O)Nc2cccc(-c3nn[n-]n3)c2C)c1C ZINC000822328721 607267459 /nfs/dbraw/zinc/26/74/59/607267459.db2.gz RQORZIYSVDTJJR-UHFFFAOYSA-N -1 3 351.410 3.200 20 0 FGADHM O=C([O-])Cc1cccc(NC(=O)NC[C@H](c2ccccc2)N2CCCC2)c1 ZINC000738625876 597203572 /nfs/dbraw/zinc/20/35/72/597203572.db2.gz NWBGCMJRNGDIAZ-LJQANCHMSA-N -1 3 367.449 3.272 20 0 FGADHM C[C@@H](CCc1cccn1C)NC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820254601 599248882 /nfs/dbraw/zinc/24/88/82/599248882.db2.gz ROKAGZMSZCGKCQ-NSHDSACASA-N -1 3 373.848 3.001 20 0 FGADHM C[C@@H](CCc1cccn1C)NC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820254601 599248884 /nfs/dbraw/zinc/24/88/84/599248884.db2.gz ROKAGZMSZCGKCQ-NSHDSACASA-N -1 3 373.848 3.001 20 0 FGADHM Cc1c(NC(=O)N(C[C@@H]2CCCO2)C2CCCC2)cccc1-c1nnn[n-]1 ZINC000822076707 607280289 /nfs/dbraw/zinc/28/02/89/607280289.db2.gz QYSUJWNDLDHQME-HNNXBMFYSA-N -1 3 370.457 3.131 20 0 FGADHM Cc1c(NC(=O)N(C[C@@H]2CCCO2)C2CCCC2)cccc1-c1nn[n-]n1 ZINC000822076707 607280290 /nfs/dbraw/zinc/28/02/90/607280290.db2.gz QYSUJWNDLDHQME-HNNXBMFYSA-N -1 3 370.457 3.131 20 0 FGADHM Cc1c(NC(=O)NCCCc2cccc(F)c2)cccc1-c1nnn[n-]1 ZINC000822096487 607280960 /nfs/dbraw/zinc/28/09/60/607280960.db2.gz OIWZKPNNALQLKG-UHFFFAOYSA-N -1 3 354.389 3.069 20 0 FGADHM Cc1c(NC(=O)NCCCc2cccc(F)c2)cccc1-c1nn[n-]n1 ZINC000822096487 607280961 /nfs/dbraw/zinc/28/09/61/607280961.db2.gz OIWZKPNNALQLKG-UHFFFAOYSA-N -1 3 354.389 3.069 20 0 FGADHM Cc1ccc(CC[C@H](C)NC(=O)Nc2cccc(-c3nnn[n-]3)c2C)o1 ZINC000822235909 607282749 /nfs/dbraw/zinc/28/27/49/607282749.db2.gz BLCFZBGUYAERLL-NSHDSACASA-N -1 3 354.414 3.219 20 0 FGADHM Cc1ccc(CC[C@H](C)NC(=O)Nc2cccc(-c3nn[n-]n3)c2C)o1 ZINC000822235909 607282750 /nfs/dbraw/zinc/28/27/50/607282750.db2.gz BLCFZBGUYAERLL-NSHDSACASA-N -1 3 354.414 3.219 20 0 FGADHM Cc1c(NC(=O)NCC(C)(C)c2cccc(F)c2)cccc1-c1nnn[n-]1 ZINC000822095627 607288560 /nfs/dbraw/zinc/28/85/60/607288560.db2.gz FGVLJGYIZDVBQF-UHFFFAOYSA-N -1 3 368.416 3.414 20 0 FGADHM Cc1c(NC(=O)NCC(C)(C)c2cccc(F)c2)cccc1-c1nn[n-]n1 ZINC000822095627 607288561 /nfs/dbraw/zinc/28/85/61/607288561.db2.gz FGVLJGYIZDVBQF-UHFFFAOYSA-N -1 3 368.416 3.414 20 0 FGADHM Cc1c(NC(=O)NC[C@@H](C)Cc2cccs2)cccc1-c1nnn[n-]1 ZINC000822096322 607285798 /nfs/dbraw/zinc/28/57/98/607285798.db2.gz KZPQLAKZMIJICO-NSHDSACASA-N -1 3 356.455 3.237 20 0 FGADHM Cc1c(NC(=O)NC[C@@H](C)Cc2cccs2)cccc1-c1nn[n-]n1 ZINC000822096322 607285799 /nfs/dbraw/zinc/28/57/99/607285799.db2.gz KZPQLAKZMIJICO-NSHDSACASA-N -1 3 356.455 3.237 20 0 FGADHM COc1ccccc1[C@H](C)NC(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821882675 607287400 /nfs/dbraw/zinc/28/74/00/607287400.db2.gz HWJJHWGLZXBJOJ-LBPRGKRZSA-N -1 3 352.398 3.066 20 0 FGADHM COc1ccccc1[C@H](C)NC(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821882675 607287401 /nfs/dbraw/zinc/28/74/01/607287401.db2.gz HWJJHWGLZXBJOJ-LBPRGKRZSA-N -1 3 352.398 3.066 20 0 FGADHM C[C@H](NC(=O)N1Cc2ccccc2C[C@@H]1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820351291 599262082 /nfs/dbraw/zinc/26/20/82/599262082.db2.gz OESILDJRTLIGBQ-KBPBESRZSA-N -1 3 362.437 3.084 20 0 FGADHM C[C@H](NC(=O)N1Cc2ccccc2C[C@@H]1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820351291 599262085 /nfs/dbraw/zinc/26/20/85/599262085.db2.gz OESILDJRTLIGBQ-KBPBESRZSA-N -1 3 362.437 3.084 20 0 FGADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2NCCCOc1ccccc1 ZINC000737410381 599262508 /nfs/dbraw/zinc/26/25/08/599262508.db2.gz SHBMEJKYVTTWBL-UHFFFAOYSA-N -1 3 360.421 3.026 20 0 FGADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2NCCCOc1ccccc1 ZINC000737410381 599262510 /nfs/dbraw/zinc/26/25/10/599262510.db2.gz SHBMEJKYVTTWBL-UHFFFAOYSA-N -1 3 360.421 3.026 20 0 FGADHM CN(Cc1ccsc1)c1c(-c2nnn[n-]2)cnc2c(F)ccc(F)c21 ZINC000736829380 599259221 /nfs/dbraw/zinc/25/92/21/599259221.db2.gz BEKZBMQDPXNRGT-UHFFFAOYSA-N -1 3 358.377 3.391 20 0 FGADHM CN(Cc1ccsc1)c1c(-c2nn[n-]n2)cnc2c(F)ccc(F)c21 ZINC000736829380 599259223 /nfs/dbraw/zinc/25/92/23/599259223.db2.gz BEKZBMQDPXNRGT-UHFFFAOYSA-N -1 3 358.377 3.391 20 0 FGADHM CC(C)(C)[C@@H]1OCCC[C@@H]1CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC000735597171 599304486 /nfs/dbraw/zinc/30/44/86/599304486.db2.gz MVCPUXASBJCJDO-ZWNOBZJWSA-N -1 3 350.854 3.168 20 0 FGADHM CC(C)(C)[C@@H]1OCCC[C@@H]1CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC000735597171 599304488 /nfs/dbraw/zinc/30/44/88/599304488.db2.gz MVCPUXASBJCJDO-ZWNOBZJWSA-N -1 3 350.854 3.168 20 0 FGADHM Fc1cc(NCc2cc(-c3nnn[n-]3)cs2)cc(F)c1N1CCCC1 ZINC000822753177 607309993 /nfs/dbraw/zinc/30/99/93/607309993.db2.gz HQVBWTHHPLBXMS-UHFFFAOYSA-N -1 3 362.409 3.419 20 0 FGADHM Fc1cc(NCc2cc(-c3nn[n-]n3)cs2)cc(F)c1N1CCCC1 ZINC000822753177 607309994 /nfs/dbraw/zinc/30/99/94/607309994.db2.gz HQVBWTHHPLBXMS-UHFFFAOYSA-N -1 3 362.409 3.419 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCCC(C)(C)CC1 ZINC000821406203 599264850 /nfs/dbraw/zinc/26/48/50/599264850.db2.gz CHKZWDHFELZLEU-UHFFFAOYSA-N -1 3 358.446 3.309 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCCC(C)(C)CC1 ZINC000821406203 599264851 /nfs/dbraw/zinc/26/48/51/599264851.db2.gz CHKZWDHFELZLEU-UHFFFAOYSA-N -1 3 358.446 3.309 20 0 FGADHM c1csc(-c2cccc(NCc3cnc4ccc(-c5nnn[n-]5)cn34)c2)n1 ZINC000823757075 607313660 /nfs/dbraw/zinc/31/36/60/607313660.db2.gz LIOFDFBPLZZLLC-UHFFFAOYSA-N -1 3 374.433 3.250 20 0 FGADHM c1csc(-c2cccc(NCc3cnc4ccc(-c5nn[n-]n5)cn34)c2)n1 ZINC000823757075 607313661 /nfs/dbraw/zinc/31/36/61/607313661.db2.gz LIOFDFBPLZZLLC-UHFFFAOYSA-N -1 3 374.433 3.250 20 0 FGADHM O=C(c1cccc(NCc2cccc(-c3nnn[n-]3)c2)c1)N1CCCCC1 ZINC000823493678 607313747 /nfs/dbraw/zinc/31/37/47/607313747.db2.gz RRVQXLDIEZJJDD-UHFFFAOYSA-N -1 3 362.437 3.105 20 0 FGADHM O=C(c1cccc(NCc2cccc(-c3nn[n-]n3)c2)c1)N1CCCCC1 ZINC000823493678 607313748 /nfs/dbraw/zinc/31/37/48/607313748.db2.gz RRVQXLDIEZJJDD-UHFFFAOYSA-N -1 3 362.437 3.105 20 0 FGADHM Cc1cc(N2CCSCC2)ccc1NCc1ccc(-c2nnn[n-]2)cc1 ZINC000822207023 607315133 /nfs/dbraw/zinc/31/51/33/607315133.db2.gz IKXKSAMVCGKGRY-UHFFFAOYSA-N -1 3 366.494 3.340 20 0 FGADHM Cc1cc(N2CCSCC2)ccc1NCc1ccc(-c2nn[n-]n2)cc1 ZINC000822207023 607315134 /nfs/dbraw/zinc/31/51/34/607315134.db2.gz IKXKSAMVCGKGRY-UHFFFAOYSA-N -1 3 366.494 3.340 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@](C)(CC)C1 ZINC000821406146 599266279 /nfs/dbraw/zinc/26/62/79/599266279.db2.gz AKJUNQMEFLSPIE-SFHVURJKSA-N -1 3 358.446 3.309 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@](C)(CC)C1 ZINC000821406146 599266281 /nfs/dbraw/zinc/26/62/81/599266281.db2.gz AKJUNQMEFLSPIE-SFHVURJKSA-N -1 3 358.446 3.309 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC2(C1)CCCCC2 ZINC000821761911 599274426 /nfs/dbraw/zinc/27/44/26/599274426.db2.gz GTXSODYKSWZKBB-UHFFFAOYSA-N -1 3 356.430 3.063 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC2(C1)CCCCC2 ZINC000821761911 599274429 /nfs/dbraw/zinc/27/44/29/599274429.db2.gz GTXSODYKSWZKBB-UHFFFAOYSA-N -1 3 356.430 3.063 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)C=Cc1cccs1 ZINC000736488353 599275507 /nfs/dbraw/zinc/27/55/07/599275507.db2.gz PNHRLGLLGRHRRX-VURMDHGXSA-N -1 3 354.439 3.402 20 0 FGADHM COc1ccc(CNc2ccc3c(c2)CC(C)(C)O3)cc1-c1nnn[n-]1 ZINC000821821629 607318351 /nfs/dbraw/zinc/31/83/51/607318351.db2.gz OBTMHKUQHGYFSN-UHFFFAOYSA-N -1 3 351.410 3.201 20 0 FGADHM COc1ccc(CNc2ccc3c(c2)CC(C)(C)O3)cc1-c1nn[n-]n1 ZINC000821821629 607318352 /nfs/dbraw/zinc/31/83/52/607318352.db2.gz OBTMHKUQHGYFSN-UHFFFAOYSA-N -1 3 351.410 3.201 20 0 FGADHM Cc1cc(-c2nn[n-]n2)cc(C)c1OCC(=O)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000737220523 599282901 /nfs/dbraw/zinc/28/29/01/599282901.db2.gz BOJLQMICALQZBN-RDJZCZTQSA-N -1 3 369.469 3.044 20 0 FGADHM Cc1ccc(NC(=O)COc2c(C)cc(-c3nn[n-]n3)cc2C)cc1Cl ZINC000737357704 599283494 /nfs/dbraw/zinc/28/34/94/599283494.db2.gz RWCVVLZKYYELDP-UHFFFAOYSA-N -1 3 371.828 3.463 20 0 FGADHM COCCn1c(C)c(C)nc1S[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737017723 599290258 /nfs/dbraw/zinc/29/02/58/599290258.db2.gz ZROFRENZFGBNHG-CYBMUJFWSA-N -1 3 358.471 3.180 20 0 FGADHM COCCn1c(C)c(C)nc1S[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737017723 599290260 /nfs/dbraw/zinc/29/02/60/599290260.db2.gz ZROFRENZFGBNHG-CYBMUJFWSA-N -1 3 358.471 3.180 20 0 FGADHM COCCCCC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736978382 598231524 /nfs/dbraw/zinc/23/15/24/598231524.db2.gz HZAAAPGBJDOWOY-UHFFFAOYSA-N -1 3 367.409 3.414 20 0 FGADHM COCCCCC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736978382 598231526 /nfs/dbraw/zinc/23/15/26/598231526.db2.gz HZAAAPGBJDOWOY-UHFFFAOYSA-N -1 3 367.409 3.414 20 0 FGADHM Cn1cccc1C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737612904 598232247 /nfs/dbraw/zinc/23/22/47/598232247.db2.gz LWHBNNAYDFFCEM-UHFFFAOYSA-N -1 3 360.377 3.250 20 0 FGADHM Cn1cccc1C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737612904 598232249 /nfs/dbraw/zinc/23/22/49/598232249.db2.gz LWHBNNAYDFFCEM-UHFFFAOYSA-N -1 3 360.377 3.250 20 0 FGADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)N[C@@H](c1ccccc1)C1CCC1 ZINC000737854342 598232293 /nfs/dbraw/zinc/23/22/93/598232293.db2.gz XZKSTZLQCQBIPO-FQEVSTJZSA-N -1 3 361.449 3.457 20 0 FGADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)N[C@@H](c1ccccc1)C1CCC1 ZINC000737854342 598232296 /nfs/dbraw/zinc/23/22/96/598232296.db2.gz XZKSTZLQCQBIPO-FQEVSTJZSA-N -1 3 361.449 3.457 20 0 FGADHM CC(C)(C)CCCCNC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000735603623 598233517 /nfs/dbraw/zinc/23/35/17/598233517.db2.gz MYFUKKWIQQDGAM-KRWDZBQOSA-N -1 3 370.501 3.168 20 0 FGADHM CCC[C@@H](NC(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1ccccn1 ZINC000736430520 598233904 /nfs/dbraw/zinc/23/39/04/598233904.db2.gz QVVIJIAKATWMGD-MRXNPFEDSA-N -1 3 368.466 3.011 20 0 FGADHM CCC[C@@H](NC(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1ccccn1 ZINC000736430520 598233905 /nfs/dbraw/zinc/23/39/05/598233905.db2.gz QVVIJIAKATWMGD-MRXNPFEDSA-N -1 3 368.466 3.011 20 0 FGADHM CCOc1cc2c(cc1CNc1ccc(-c3nn[n-]n3)cc1F)O[C@H](C)C2 ZINC000736633440 598235851 /nfs/dbraw/zinc/23/58/51/598235851.db2.gz BFSSOTPQYGKGEO-LLVKDONJSA-N -1 3 369.400 3.340 20 0 FGADHM CCCC[C@H](CC)C(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736438752 598236021 /nfs/dbraw/zinc/23/60/21/598236021.db2.gz KSEHHUPUMPUFAS-HNNXBMFYSA-N -1 3 371.485 3.453 20 0 FGADHM CCCC[C@H](CC)C(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736438752 598236022 /nfs/dbraw/zinc/23/60/22/598236022.db2.gz KSEHHUPUMPUFAS-HNNXBMFYSA-N -1 3 371.485 3.453 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1N1CCC(OCCc2ccccc2)CC1 ZINC000737641116 598241746 /nfs/dbraw/zinc/24/17/46/598241746.db2.gz RPFKNEMPVOOEAD-UHFFFAOYSA-N -1 3 367.428 3.234 20 0 FGADHM C[C@H](Nc1ccc(-c2nn[n-]n2)cc1F)c1ccc(N2CCOC2=O)cc1 ZINC000736134322 598242034 /nfs/dbraw/zinc/24/20/34/598242034.db2.gz BQDWHJVTWCMXTP-NSHDSACASA-N -1 3 368.372 3.136 20 0 FGADHM C[C@@H](c1cccc(F)c1)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000736197892 598255791 /nfs/dbraw/zinc/25/57/91/598255791.db2.gz CUISEVGIDIUFDH-ZDUSSCGKSA-N -1 3 370.407 3.028 20 0 FGADHM C[C@H](NC(=O)NC1(c2ccc(F)cc2)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736113509 598262838 /nfs/dbraw/zinc/26/28/38/598262838.db2.gz OUVVMXCAHLHACN-LBPRGKRZSA-N -1 3 366.400 3.055 20 0 FGADHM C[C@H](NC(=O)NC1(c2ccc(F)cc2)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736113509 598262840 /nfs/dbraw/zinc/26/28/40/598262840.db2.gz OUVVMXCAHLHACN-LBPRGKRZSA-N -1 3 366.400 3.055 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NCc1nc(C(C)(C)C)cs1 ZINC000737294870 598265572 /nfs/dbraw/zinc/26/55/72/598265572.db2.gz RUXAHUDDPSLBRI-UHFFFAOYSA-N -1 3 371.470 3.251 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NCc1nc(C(C)(C)C)cs1 ZINC000737294870 598265574 /nfs/dbraw/zinc/26/55/74/598265574.db2.gz RUXAHUDDPSLBRI-UHFFFAOYSA-N -1 3 371.470 3.251 20 0 FGADHM C[C@H]1CCCC[C@@H]1N(C)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736268774 598277899 /nfs/dbraw/zinc/27/78/99/598277899.db2.gz FOCDYDVZARIVKH-JSGCOSHPSA-N -1 3 359.478 3.466 20 0 FGADHM C[C@H]1CCCC[C@@H]1N(C)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736268774 598277900 /nfs/dbraw/zinc/27/79/00/598277900.db2.gz FOCDYDVZARIVKH-JSGCOSHPSA-N -1 3 359.478 3.466 20 0 FGADHM Fc1cccc([C@@H]2CCN(C(=S)Nc3ccccc3-c3nnn[n-]3)C2)c1 ZINC000737666510 598278245 /nfs/dbraw/zinc/27/82/45/598278245.db2.gz MANFJNWDBSETSN-CYBMUJFWSA-N -1 3 368.441 3.192 20 0 FGADHM Fc1cccc([C@@H]2CCN(C(=S)Nc3ccccc3-c3nn[n-]n3)C2)c1 ZINC000737666510 598278246 /nfs/dbraw/zinc/27/82/46/598278246.db2.gz MANFJNWDBSETSN-CYBMUJFWSA-N -1 3 368.441 3.192 20 0 FGADHM Cc1cccc2cc(C(=O)N(C)c3ccc(-c4nnn[n-]4)cc3F)oc21 ZINC000737410455 598279569 /nfs/dbraw/zinc/27/95/69/598279569.db2.gz SMHHSPHVHSLWLR-UHFFFAOYSA-N -1 3 351.341 3.337 20 0 FGADHM Cc1cccc2cc(C(=O)N(C)c3ccc(-c4nn[n-]n4)cc3F)oc21 ZINC000737410455 598279570 /nfs/dbraw/zinc/27/95/70/598279570.db2.gz SMHHSPHVHSLWLR-UHFFFAOYSA-N -1 3 351.341 3.337 20 0 FGADHM CC(C)(C)n1cc(NC(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)cn1 ZINC000735662723 598280513 /nfs/dbraw/zinc/28/05/13/598280513.db2.gz WJQVYDMYPMINDB-UHFFFAOYSA-N -1 3 371.449 3.019 20 0 FGADHM CC(C)(C)n1cc(NC(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)cn1 ZINC000735662723 598280514 /nfs/dbraw/zinc/28/05/14/598280514.db2.gz WJQVYDMYPMINDB-UHFFFAOYSA-N -1 3 371.449 3.019 20 0 FGADHM Cc1ccc2oc(C(=O)N(C)c3ccc(-c4nnn[n-]4)cc3F)cc2c1 ZINC000737375263 598280869 /nfs/dbraw/zinc/28/08/69/598280869.db2.gz SVYVPXHVRYIYSD-UHFFFAOYSA-N -1 3 351.341 3.337 20 0 FGADHM Cc1ccc2oc(C(=O)N(C)c3ccc(-c4nn[n-]n4)cc3F)cc2c1 ZINC000737375263 598280871 /nfs/dbraw/zinc/28/08/71/598280871.db2.gz SVYVPXHVRYIYSD-UHFFFAOYSA-N -1 3 351.341 3.337 20 0 FGADHM O=S(=O)(Cc1cccc(-c2nnn[n-]2)c1)Cc1cccc2ccccc21 ZINC000738328434 598291037 /nfs/dbraw/zinc/29/10/37/598291037.db2.gz BENZQZIJEKWNQP-UHFFFAOYSA-N -1 3 364.430 3.135 20 0 FGADHM O=S(=O)(Cc1cccc(-c2nn[n-]n2)c1)Cc1cccc2ccccc21 ZINC000738328434 598291039 /nfs/dbraw/zinc/29/10/39/598291039.db2.gz BENZQZIJEKWNQP-UHFFFAOYSA-N -1 3 364.430 3.135 20 0 FGADHM COc1ccc(S[C@@H](C)C(=O)Nc2sccc2-c2nnn[n-]2)cc1 ZINC000737114644 598296035 /nfs/dbraw/zinc/29/60/35/598296035.db2.gz IHAIMFHQYMOLAH-VIFPVBQESA-N -1 3 361.452 3.056 20 0 FGADHM COc1ccc(S[C@@H](C)C(=O)Nc2sccc2-c2nn[n-]n2)cc1 ZINC000737114644 598296037 /nfs/dbraw/zinc/29/60/37/598296037.db2.gz IHAIMFHQYMOLAH-VIFPVBQESA-N -1 3 361.452 3.056 20 0 FGADHM Cc1cccc(C)c1NC(=S)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737390505 598298071 /nfs/dbraw/zinc/29/80/71/598298071.db2.gz QSDXNBWGHLCGLT-UHFFFAOYSA-N -1 3 356.430 3.109 20 0 FGADHM Cc1cccc(C)c1NC(=S)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737390505 598298073 /nfs/dbraw/zinc/29/80/73/598298073.db2.gz QSDXNBWGHLCGLT-UHFFFAOYSA-N -1 3 356.430 3.109 20 0 FGADHM CCCCOc1ccc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000736463860 598305535 /nfs/dbraw/zinc/30/55/35/598305535.db2.gz RGOQFAAFBSEKQU-UHFFFAOYSA-N -1 3 369.400 3.115 20 0 FGADHM CCCCOc1ccc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000736463860 598305537 /nfs/dbraw/zinc/30/55/37/598305537.db2.gz RGOQFAAFBSEKQU-UHFFFAOYSA-N -1 3 369.400 3.115 20 0 FGADHM CCN(C(=O)CSCc1ccc(F)cc1-c1nnn[n-]1)c1ccccc1 ZINC000736504513 598313318 /nfs/dbraw/zinc/31/33/18/598313318.db2.gz FPRWJASKKIMXPR-UHFFFAOYSA-N -1 3 371.441 3.292 20 0 FGADHM CCN(C(=O)CSCc1ccc(F)cc1-c1nn[n-]n1)c1ccccc1 ZINC000736504513 598313319 /nfs/dbraw/zinc/31/33/19/598313319.db2.gz FPRWJASKKIMXPR-UHFFFAOYSA-N -1 3 371.441 3.292 20 0 FGADHM C[C@@H]1C[C@@H](C)CN(C(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000736226159 598317384 /nfs/dbraw/zinc/31/73/84/598317384.db2.gz VVCTWJHYMMSIOX-NXEZZACHSA-N -1 3 350.879 3.195 20 0 FGADHM C[C@@H]1C[C@@H](C)CN(C(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000736226159 598317386 /nfs/dbraw/zinc/31/73/86/598317386.db2.gz VVCTWJHYMMSIOX-NXEZZACHSA-N -1 3 350.879 3.195 20 0 FGADHM C[C@@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F)c1cccc(Cl)c1 ZINC000736118941 598317552 /nfs/dbraw/zinc/31/75/52/598317552.db2.gz QDUWSGFGGWFZFA-SNVBAGLBSA-N -1 3 374.807 3.220 20 0 FGADHM C[C@@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1cccc(Cl)c1 ZINC000736118941 598317554 /nfs/dbraw/zinc/31/75/54/598317554.db2.gz QDUWSGFGGWFZFA-SNVBAGLBSA-N -1 3 374.807 3.220 20 0 FGADHM CC(C)(C)CCNC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000735602022 598326717 /nfs/dbraw/zinc/32/67/17/598326717.db2.gz KOXBYAHKVRQPJK-UHFFFAOYSA-N -1 3 369.425 3.205 20 0 FGADHM CC(C)(C)CCNC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000735602022 598326719 /nfs/dbraw/zinc/32/67/19/598326719.db2.gz KOXBYAHKVRQPJK-UHFFFAOYSA-N -1 3 369.425 3.205 20 0 FGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)NC1(c2ccccc2)CC1 ZINC000735659805 598356802 /nfs/dbraw/zinc/35/68/02/598356802.db2.gz FKSAVDXLAPZDPW-UHFFFAOYSA-N -1 3 365.441 3.234 20 0 FGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)NC1(c2ccccc2)CC1 ZINC000735659805 598356804 /nfs/dbraw/zinc/35/68/04/598356804.db2.gz FKSAVDXLAPZDPW-UHFFFAOYSA-N -1 3 365.441 3.234 20 0 FGADHM Fc1cc(-c2nnn[n-]2)ccc1CSCc1cn(-c2ccccc2)nn1 ZINC000737641875 598369726 /nfs/dbraw/zinc/36/97/26/598369726.db2.gz YXVPVMMZNBJDTG-UHFFFAOYSA-N -1 3 367.413 3.020 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1CSCc1cn(-c2ccccc2)nn1 ZINC000737641875 598369727 /nfs/dbraw/zinc/36/97/27/598369727.db2.gz YXVPVMMZNBJDTG-UHFFFAOYSA-N -1 3 367.413 3.020 20 0 FGADHM C[C@@H](CC(=O)OCCOc1ccccc1-c1nnn[n-]1)c1ccccc1F ZINC000735974957 598371071 /nfs/dbraw/zinc/37/10/71/598371071.db2.gz DXSHMHLSIDNNMY-ZDUSSCGKSA-N -1 3 370.384 3.122 20 0 FGADHM C[C@@H](CC(=O)OCCOc1ccccc1-c1nn[n-]n1)c1ccccc1F ZINC000735974957 598371073 /nfs/dbraw/zinc/37/10/73/598371073.db2.gz DXSHMHLSIDNNMY-ZDUSSCGKSA-N -1 3 370.384 3.122 20 0 FGADHM C[C@@H](CC(=O)OCCOc1ccc(-c2nn[n-]n2)cc1)c1ccccc1F ZINC000735977302 598372187 /nfs/dbraw/zinc/37/21/87/598372187.db2.gz NKYWFCVEKMFTRK-ZDUSSCGKSA-N -1 3 370.384 3.122 20 0 FGADHM Cc1c(Br)cccc1NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737203190 598379854 /nfs/dbraw/zinc/37/98/54/598379854.db2.gz SDMFAYUAFOWDDC-UHFFFAOYSA-N -1 3 358.199 3.190 20 0 FGADHM Cc1c(Br)cccc1NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737203190 598379855 /nfs/dbraw/zinc/37/98/55/598379855.db2.gz SDMFAYUAFOWDDC-UHFFFAOYSA-N -1 3 358.199 3.190 20 0 FGADHM O=C(c1ccccc1)C1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)CC1 ZINC000738278484 598388834 /nfs/dbraw/zinc/38/88/34/598388834.db2.gz LLZMRXJJFOZYFY-UHFFFAOYSA-N -1 3 368.828 3.014 20 0 FGADHM O=C(c1ccccc1)C1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000738278484 598388836 /nfs/dbraw/zinc/38/88/36/598388836.db2.gz LLZMRXJJFOZYFY-UHFFFAOYSA-N -1 3 368.828 3.014 20 0 FGADHM CCN(C(=O)CNc1ccc(-c2nn[n-]n2)cc1)c1cccc2ccccc21 ZINC000736505401 598415766 /nfs/dbraw/zinc/41/57/66/598415766.db2.gz MYKFPOPZOOIODS-UHFFFAOYSA-N -1 3 372.432 3.485 20 0 FGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H](C)Cc1ccco1 ZINC000736067013 598427932 /nfs/dbraw/zinc/42/79/32/598427932.db2.gz SXWIHXHCRXKZQE-CQSZACIVSA-N -1 3 368.441 3.011 20 0 FGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H](C)Cc1ccco1 ZINC000736067013 598427934 /nfs/dbraw/zinc/42/79/34/598427934.db2.gz SXWIHXHCRXKZQE-CQSZACIVSA-N -1 3 368.441 3.011 20 0 FGADHM Cc1cc(C)cc([C@@H](C)NC(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737253414 598430319 /nfs/dbraw/zinc/43/03/19/598430319.db2.gz RHPFDDHYXXUYHX-OAHLLOKOSA-N -1 3 364.453 3.386 20 0 FGADHM Cc1cc(C)cc([C@@H](C)NC(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737253414 598430322 /nfs/dbraw/zinc/43/03/22/598430322.db2.gz RHPFDDHYXXUYHX-OAHLLOKOSA-N -1 3 364.453 3.386 20 0 FGADHM COc1ccc([C@@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000737070669 598436877 /nfs/dbraw/zinc/43/68/77/598436877.db2.gz AEIKLOSREQYSGK-SNVBAGLBSA-N -1 3 357.801 3.271 20 0 FGADHM COc1ccc([C@@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000737070669 598436878 /nfs/dbraw/zinc/43/68/78/598436878.db2.gz AEIKLOSREQYSGK-SNVBAGLBSA-N -1 3 357.801 3.271 20 0 FGADHM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)cn1)c1ccc(Cl)c(Cl)c1 ZINC000736116669 598437741 /nfs/dbraw/zinc/43/77/41/598437741.db2.gz CEJLBZUNDICGLL-MRVPVSSYSA-N -1 3 363.208 3.060 20 0 FGADHM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)cn1)c1ccc(Cl)c(Cl)c1 ZINC000736116669 598437742 /nfs/dbraw/zinc/43/77/42/598437742.db2.gz CEJLBZUNDICGLL-MRVPVSSYSA-N -1 3 363.208 3.060 20 0 FGADHM CCn1c(CSc2cc(-c3nnn[n-]3)ccn2)nc2cc(F)ccc21 ZINC000736712745 598439209 /nfs/dbraw/zinc/43/92/09/598439209.db2.gz AHZZMLHDUUAQMJ-UHFFFAOYSA-N -1 3 355.402 3.063 20 0 FGADHM CCn1c(CSc2cc(-c3nn[n-]n3)ccn2)nc2cc(F)ccc21 ZINC000736712745 598439211 /nfs/dbraw/zinc/43/92/11/598439211.db2.gz AHZZMLHDUUAQMJ-UHFFFAOYSA-N -1 3 355.402 3.063 20 0 FGADHM CC(=CC(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1Cl ZINC000732085710 598441734 /nfs/dbraw/zinc/44/17/34/598441734.db2.gz NWHWHUPCJYLZTC-BENRWUELSA-N -1 3 353.813 3.240 20 0 FGADHM CC(=CC(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1Cl ZINC000732085710 598441736 /nfs/dbraw/zinc/44/17/36/598441736.db2.gz NWHWHUPCJYLZTC-BENRWUELSA-N -1 3 353.813 3.240 20 0 FGADHM O=C(Nc1ccc(-c2cnc(C3CC3)o2)cc1)c1ccc(-c2nnn[n-]2)cn1 ZINC000738143856 598444372 /nfs/dbraw/zinc/44/43/72/598444372.db2.gz FOTRJACPZUXVJP-UHFFFAOYSA-N -1 3 373.376 3.046 20 0 FGADHM O=C(Nc1ccc(-c2cnc(C3CC3)o2)cc1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738143856 598444374 /nfs/dbraw/zinc/44/43/74/598444374.db2.gz FOTRJACPZUXVJP-UHFFFAOYSA-N -1 3 373.376 3.046 20 0 FGADHM O=C(Oc1ccccc1SC(F)(F)F)c1ccc(-c2nnn[n-]2)cn1 ZINC000738248459 598450867 /nfs/dbraw/zinc/45/08/67/598450867.db2.gz YRZTXVZJIIYIBH-UHFFFAOYSA-N -1 3 367.312 3.093 20 0 FGADHM O=C(Oc1ccccc1SC(F)(F)F)c1ccc(-c2nn[n-]n2)cn1 ZINC000738248459 598450869 /nfs/dbraw/zinc/45/08/69/598450869.db2.gz YRZTXVZJIIYIBH-UHFFFAOYSA-N -1 3 367.312 3.093 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)NCCCc1c[nH]c2ccccc12 ZINC000737803939 598466597 /nfs/dbraw/zinc/46/65/97/598466597.db2.gz WQSQHJJOEFYARA-VAWYXSNFSA-N -1 3 372.432 3.110 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)NCCCc1c[nH]c2ccccc12 ZINC000737803939 598466598 /nfs/dbraw/zinc/46/65/98/598466598.db2.gz WQSQHJJOEFYARA-VAWYXSNFSA-N -1 3 372.432 3.110 20 0 FGADHM COc1ccccc1C(C)=CC(=O)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000737143100 598475358 /nfs/dbraw/zinc/47/53/58/598475358.db2.gz SCZLTOFQMGZFMO-ACCUITESSA-N -1 3 350.378 3.022 20 0 FGADHM COc1ccccc1C(C)=CC(=O)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000737143100 598475360 /nfs/dbraw/zinc/47/53/60/598475360.db2.gz SCZLTOFQMGZFMO-ACCUITESSA-N -1 3 350.378 3.022 20 0 FGADHM C[C@H](OC(=O)Cc1csc(C(C)(C)C)n1)c1cccc(-c2nnn[n-]2)c1 ZINC000736160544 598483186 /nfs/dbraw/zinc/48/31/86/598483186.db2.gz RVHCKQMRFDEAGR-NSHDSACASA-N -1 3 371.466 3.468 20 0 FGADHM C[C@H](OC(=O)Cc1csc(C(C)(C)C)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000736160544 598483188 /nfs/dbraw/zinc/48/31/88/598483188.db2.gz RVHCKQMRFDEAGR-NSHDSACASA-N -1 3 371.466 3.468 20 0 FGADHM Cc1cccc(O[C@@H](C)C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000737401647 598492462 /nfs/dbraw/zinc/49/24/62/598492462.db2.gz ONBZYQSWIUTGNQ-KBPBESRZSA-N -1 3 352.394 3.247 20 0 FGADHM Cc1cccc(O[C@@H](C)C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737401647 598492464 /nfs/dbraw/zinc/49/24/64/598492464.db2.gz ONBZYQSWIUTGNQ-KBPBESRZSA-N -1 3 352.394 3.247 20 0 FGADHM CCOc1ccc(CC(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736643100 598492499 /nfs/dbraw/zinc/49/24/99/598492499.db2.gz DAFNLDQOAAOVIK-ZDUSSCGKSA-N -1 3 352.394 3.112 20 0 FGADHM CCOc1ccc(CC(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736643100 598492501 /nfs/dbraw/zinc/49/25/01/598492501.db2.gz DAFNLDQOAAOVIK-ZDUSSCGKSA-N -1 3 352.394 3.112 20 0 FGADHM COc1ccc(C2(NC(=O)c3sccc3-c3nnn[n-]3)CCCC2)cc1 ZINC000737073840 598493334 /nfs/dbraw/zinc/49/33/34/598493334.db2.gz CGPLHDKESYVCOB-UHFFFAOYSA-N -1 3 369.450 3.136 20 0 FGADHM COc1ccc(C2(NC(=O)c3sccc3-c3nn[n-]n3)CCCC2)cc1 ZINC000737073840 598493335 /nfs/dbraw/zinc/49/33/35/598493335.db2.gz CGPLHDKESYVCOB-UHFFFAOYSA-N -1 3 369.450 3.136 20 0 FGADHM Cc1ncccc1C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000737502416 598493670 /nfs/dbraw/zinc/49/36/70/598493670.db2.gz MZCIOEIVOFTGGZ-UHFFFAOYSA-N -1 3 354.439 3.153 20 0 FGADHM Cc1ncccc1C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000737502416 598493671 /nfs/dbraw/zinc/49/36/71/598493671.db2.gz MZCIOEIVOFTGGZ-UHFFFAOYSA-N -1 3 354.439 3.153 20 0 FGADHM Fc1cccc(Cc2nnc(SCc3ccccc3-c3nnn[n-]3)o2)c1 ZINC000737661096 598495322 /nfs/dbraw/zinc/49/53/22/598495322.db2.gz MYXRSPYAOVPRRO-UHFFFAOYSA-N -1 3 368.397 3.272 20 0 FGADHM Fc1cccc(Cc2nnc(SCc3ccccc3-c3nn[n-]n3)o2)c1 ZINC000737661096 598495323 /nfs/dbraw/zinc/49/53/23/598495323.db2.gz MYXRSPYAOVPRRO-UHFFFAOYSA-N -1 3 368.397 3.272 20 0 FGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H]1CC[C@H](C)CC1 ZINC000735873160 598515625 /nfs/dbraw/zinc/51/56/25/598515625.db2.gz AHIVSHQEBZGNDG-CZIWCDLHSA-N -1 3 356.474 3.365 20 0 FGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H]1CC[C@H](C)CC1 ZINC000735873160 598515627 /nfs/dbraw/zinc/51/56/27/598515627.db2.gz AHIVSHQEBZGNDG-CZIWCDLHSA-N -1 3 356.474 3.365 20 0 FGADHM CC(=O)Nc1ccc(C)cc1NCCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000735484129 598522251 /nfs/dbraw/zinc/52/22/51/598522251.db2.gz ICLCAOMRPPKFDW-UHFFFAOYSA-N -1 3 366.425 3.015 20 0 FGADHM CCCC[C@@H]1CCC[C@@H]1NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC000736440773 598534168 /nfs/dbraw/zinc/53/41/68/598534168.db2.gz GXPGEEOEJLCIRI-OCCSQVGLSA-N -1 3 358.446 3.356 20 0 FGADHM CCCC[C@@H]1CCC[C@@H]1NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC000736440773 598534170 /nfs/dbraw/zinc/53/41/70/598534170.db2.gz GXPGEEOEJLCIRI-OCCSQVGLSA-N -1 3 358.446 3.356 20 0 FGADHM CC(C)(C)c1ccccc1OCCNC(=O)c1sccc1-c1nnn[n-]1 ZINC000735652158 598534725 /nfs/dbraw/zinc/53/47/25/598534725.db2.gz CDKZLQYQYAPXLE-UHFFFAOYSA-N -1 3 371.466 3.035 20 0 FGADHM CC(C)(C)c1ccccc1OCCNC(=O)c1sccc1-c1nn[n-]n1 ZINC000735652158 598534727 /nfs/dbraw/zinc/53/47/27/598534727.db2.gz CDKZLQYQYAPXLE-UHFFFAOYSA-N -1 3 371.466 3.035 20 0 FGADHM CC[C@H](C)[C@@H](C)NC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000736335636 598540089 /nfs/dbraw/zinc/54/00/89/598540089.db2.gz ZDCGJNACVIXHBK-QWHCGFSZSA-N -1 3 369.425 3.203 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)Cc1cc(C)ccc1C ZINC000736635853 598540538 /nfs/dbraw/zinc/54/05/38/598540538.db2.gz IAMJASLEULQCBF-UHFFFAOYSA-N -1 3 351.410 3.063 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)Cc1cc(C)ccc1C ZINC000736635853 598540540 /nfs/dbraw/zinc/54/05/40/598540540.db2.gz IAMJASLEULQCBF-UHFFFAOYSA-N -1 3 351.410 3.063 20 0 FGADHM Cc1ccc(C[C@H](C)NC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c(C)c1 ZINC000737334386 598544102 /nfs/dbraw/zinc/54/41/02/598544102.db2.gz GWMAJBBZAKFKNY-ZDUSSCGKSA-N -1 3 368.416 3.375 20 0 FGADHM Cc1ccc(C[C@H](C)NC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c(C)c1 ZINC000737334386 598544104 /nfs/dbraw/zinc/54/41/04/598544104.db2.gz GWMAJBBZAKFKNY-ZDUSSCGKSA-N -1 3 368.416 3.375 20 0 FGADHM CC(C)(CNC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccccc1Cl ZINC000735670119 598547350 /nfs/dbraw/zinc/54/73/50/598547350.db2.gz DJKNORFOIVYVLH-UHFFFAOYSA-N -1 3 355.829 3.228 20 0 FGADHM CC(C)(CNC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1Cl ZINC000735670119 598547351 /nfs/dbraw/zinc/54/73/51/598547351.db2.gz DJKNORFOIVYVLH-UHFFFAOYSA-N -1 3 355.829 3.228 20 0 FGADHM Cc1nnc(NCC(C)(C)c2ccccc2Cl)c(-c2nnn[n-]2)c1C ZINC000737522640 598553138 /nfs/dbraw/zinc/55/31/38/598553138.db2.gz WHYSNBBHFXVBNQ-UHFFFAOYSA-N -1 3 357.849 3.317 20 0 FGADHM Cc1nnc(NCC(C)(C)c2ccccc2Cl)c(-c2nn[n-]n2)c1C ZINC000737522640 598553139 /nfs/dbraw/zinc/55/31/39/598553139.db2.gz WHYSNBBHFXVBNQ-UHFFFAOYSA-N -1 3 357.849 3.317 20 0 FGADHM CC(C)CC[C@H](C)NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000735798092 598559851 /nfs/dbraw/zinc/55/98/51/598559851.db2.gz UXEGMSFQWUPPCA-JTQLQIEISA-N -1 3 368.388 3.414 20 0 FGADHM CC(C)CC[C@H](C)NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000735798092 598559852 /nfs/dbraw/zinc/55/98/52/598559852.db2.gz UXEGMSFQWUPPCA-JTQLQIEISA-N -1 3 368.388 3.414 20 0 FGADHM Cc1sc(NC(=O)[C@@H]2CCOc3ccccc32)c(-c2nnn[n-]2)c1C ZINC000737563699 598582492 /nfs/dbraw/zinc/58/24/92/598582492.db2.gz SEULLNLLMSIJHU-GFCCVEGCSA-N -1 3 355.423 3.050 20 0 FGADHM Cc1sc(NC(=O)[C@@H]2CCOc3ccccc32)c(-c2nn[n-]n2)c1C ZINC000737563699 598582494 /nfs/dbraw/zinc/58/24/94/598582494.db2.gz SEULLNLLMSIJHU-GFCCVEGCSA-N -1 3 355.423 3.050 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)[C@@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000738164415 598583599 /nfs/dbraw/zinc/58/35/99/598583599.db2.gz ZJHRPDQRRNZYMF-CHWSQXEVSA-N -1 3 357.776 3.401 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)[C@@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000738164415 598583600 /nfs/dbraw/zinc/58/36/00/598583600.db2.gz ZJHRPDQRRNZYMF-CHWSQXEVSA-N -1 3 357.776 3.401 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(OCC2CC2)cc1 ZINC000738167237 598585961 /nfs/dbraw/zinc/58/59/61/598585961.db2.gz QAMBQURVHBHYOA-UHFFFAOYSA-N -1 3 353.357 3.047 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(OCC2CC2)cc1 ZINC000738167237 598585962 /nfs/dbraw/zinc/58/59/62/598585962.db2.gz QAMBQURVHBHYOA-UHFFFAOYSA-N -1 3 353.357 3.047 20 0 FGADHM Cc1cc(C)cc(OCCC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000737254962 598587535 /nfs/dbraw/zinc/58/75/35/598587535.db2.gz CODQJFHUHRAIQB-UHFFFAOYSA-N -1 3 355.373 3.030 20 0 FGADHM Cc1cc(C)cc(OCCC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000737254962 598587536 /nfs/dbraw/zinc/58/75/36/598587536.db2.gz CODQJFHUHRAIQB-UHFFFAOYSA-N -1 3 355.373 3.030 20 0 FGADHM O=C(CCc1c[nH]c2ccccc12)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737850388 598590752 /nfs/dbraw/zinc/59/07/52/598590752.db2.gz WKDPAWRNIXLURC-UHFFFAOYSA-N -1 3 350.357 3.058 20 0 FGADHM O=C(CCc1c[nH]c2ccccc12)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737850388 598590754 /nfs/dbraw/zinc/59/07/54/598590754.db2.gz WKDPAWRNIXLURC-UHFFFAOYSA-N -1 3 350.357 3.058 20 0 FGADHM Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737561428 598590783 /nfs/dbraw/zinc/59/07/83/598590783.db2.gz ICPUSHTWRIVISE-UHFFFAOYSA-N -1 3 364.340 3.222 20 0 FGADHM Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737561428 598590785 /nfs/dbraw/zinc/59/07/85/598590785.db2.gz ICPUSHTWRIVISE-UHFFFAOYSA-N -1 3 364.340 3.222 20 0 FGADHM CC(C)N(C)c1cccc(NC(=O)NCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735858772 598600750 /nfs/dbraw/zinc/60/07/50/598600750.db2.gz DFKSFWGQDNXEKT-UHFFFAOYSA-N -1 3 365.441 3.033 20 0 FGADHM CC(C)N(C)c1cccc(NC(=O)NCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735858772 598600752 /nfs/dbraw/zinc/60/07/52/598600752.db2.gz DFKSFWGQDNXEKT-UHFFFAOYSA-N -1 3 365.441 3.033 20 0 FGADHM CC(C)N(C)c1cccc(NC(=O)NCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000735859106 598600914 /nfs/dbraw/zinc/60/09/14/598600914.db2.gz POGZHXUKHUSWMR-UHFFFAOYSA-N -1 3 365.441 3.033 20 0 FGADHM CC(C)N(C)c1cccc(NC(=O)NCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000735859106 598600916 /nfs/dbraw/zinc/60/09/16/598600916.db2.gz POGZHXUKHUSWMR-UHFFFAOYSA-N -1 3 365.441 3.033 20 0 FGADHM COc1ccccc1-c1noc([C@@H](C)Oc2ccccc2-c2nnn[n-]2)n1 ZINC000737137388 598607635 /nfs/dbraw/zinc/60/76/35/598607635.db2.gz GRHXDJQSAFMDPZ-LLVKDONJSA-N -1 3 364.365 3.065 20 0 FGADHM COc1ccccc1-c1noc([C@@H](C)Oc2ccccc2-c2nn[n-]n2)n1 ZINC000737137388 598607637 /nfs/dbraw/zinc/60/76/37/598607637.db2.gz GRHXDJQSAFMDPZ-LLVKDONJSA-N -1 3 364.365 3.065 20 0 FGADHM CCOc1cccc([C@H](C)NC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000736656417 598627324 /nfs/dbraw/zinc/62/73/24/598627324.db2.gz YBDHTWVNGLKEPW-NSHDSACASA-N -1 3 370.388 3.287 20 0 FGADHM CCOc1cccc([C@H](C)NC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000736656417 598627325 /nfs/dbraw/zinc/62/73/25/598627325.db2.gz YBDHTWVNGLKEPW-NSHDSACASA-N -1 3 370.388 3.287 20 0 FGADHM C[C@H]1CN(c2c(Cl)cccc2-c2nnn[n-]2)C[C@H](c2ccccc2)O1 ZINC000736287782 598634078 /nfs/dbraw/zinc/63/40/78/598634078.db2.gz FNADPXNKFLZJEC-BLLLJJGKSA-N -1 3 355.829 3.487 20 0 FGADHM C[C@H]1CN(c2c(Cl)cccc2-c2nn[n-]n2)C[C@H](c2ccccc2)O1 ZINC000736287782 598634079 /nfs/dbraw/zinc/63/40/79/598634079.db2.gz FNADPXNKFLZJEC-BLLLJJGKSA-N -1 3 355.829 3.487 20 0 FGADHM C[C@@H]1CCC[C@@H](NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)[C@H]1C ZINC000736251565 598647953 /nfs/dbraw/zinc/64/79/53/598647953.db2.gz JLVRJTZILRFPSD-RVKKMQEKSA-N -1 3 371.485 3.357 20 0 FGADHM C[C@@H]1CCC[C@@H](NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)[C@H]1C ZINC000736251565 598647955 /nfs/dbraw/zinc/64/79/55/598647955.db2.gz JLVRJTZILRFPSD-RVKKMQEKSA-N -1 3 371.485 3.357 20 0 FGADHM CO[C@H](C)c1cccc(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736964313 598658368 /nfs/dbraw/zinc/65/83/68/598658368.db2.gz WWNWVWUARQFCFF-GFCCVEGCSA-N -1 3 369.450 3.305 20 0 FGADHM CO[C@H](C)c1cccc(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736964313 598658369 /nfs/dbraw/zinc/65/83/69/598658369.db2.gz WWNWVWUARQFCFF-GFCCVEGCSA-N -1 3 369.450 3.305 20 0 FGADHM CC(C)(Cc1ccccc1Cl)NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000735671315 598659987 /nfs/dbraw/zinc/65/99/87/598659987.db2.gz STYIFTAMVADCIW-UHFFFAOYSA-N -1 3 355.829 3.271 20 0 FGADHM CC(C)(Cc1ccccc1Cl)NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000735671315 598659988 /nfs/dbraw/zinc/65/99/88/598659988.db2.gz STYIFTAMVADCIW-UHFFFAOYSA-N -1 3 355.829 3.271 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cn1)C1(c2cccc(Cl)c2)CCCC1 ZINC000738152362 598664282 /nfs/dbraw/zinc/66/42/82/598664282.db2.gz WTJDEYWKFACTBD-UHFFFAOYSA-N -1 3 368.828 3.366 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cn1)C1(c2cccc(Cl)c2)CCCC1 ZINC000738152362 598664284 /nfs/dbraw/zinc/66/42/84/598664284.db2.gz WTJDEYWKFACTBD-UHFFFAOYSA-N -1 3 368.828 3.366 20 0 FGADHM C[C@H](CCNc1ccc(-c2nnn[n-]2)c(Cl)c1)NC(=O)OC(C)(C)C ZINC000735986448 598668074 /nfs/dbraw/zinc/66/80/74/598668074.db2.gz NOGKKGCDHNGCLF-SNVBAGLBSA-N -1 3 366.853 3.235 20 0 FGADHM C[C@H](CCNc1ccc(-c2nn[n-]n2)c(Cl)c1)NC(=O)OC(C)(C)C ZINC000735986448 598668076 /nfs/dbraw/zinc/66/80/76/598668076.db2.gz NOGKKGCDHNGCLF-SNVBAGLBSA-N -1 3 366.853 3.235 20 0 FGADHM COc1ccc2c(c1)CCCN(c1ccc(-c3nnn[n-]3)c(Cl)c1)C2 ZINC000737119066 598672836 /nfs/dbraw/zinc/67/28/36/598672836.db2.gz MEYVPQVEOANYDZ-UHFFFAOYSA-N -1 3 355.829 3.482 20 0 FGADHM COc1ccc2c(c1)CCCN(c1ccc(-c3nn[n-]n3)c(Cl)c1)C2 ZINC000737119066 598672838 /nfs/dbraw/zinc/67/28/38/598672838.db2.gz MEYVPQVEOANYDZ-UHFFFAOYSA-N -1 3 355.829 3.482 20 0 FGADHM COc1ccc(CNc2ccc(-c3nnn[n-]3)cn2)cc1OC1CCCC1 ZINC000737095668 598674243 /nfs/dbraw/zinc/67/42/43/598674243.db2.gz MSQVGZYIXKNOAL-UHFFFAOYSA-N -1 3 366.425 3.204 20 0 FGADHM COc1ccc(CNc2ccc(-c3nn[n-]n3)cn2)cc1OC1CCCC1 ZINC000737095668 598674245 /nfs/dbraw/zinc/67/42/45/598674245.db2.gz MSQVGZYIXKNOAL-UHFFFAOYSA-N -1 3 366.425 3.204 20 0 FGADHM Cc1cccc(NC(=O)CSCc2ccc(F)cc2-c2nnn[n-]2)c1C ZINC000737398225 598696871 /nfs/dbraw/zinc/69/68/71/598696871.db2.gz FMUTXWKATGXRRX-UHFFFAOYSA-N -1 3 371.441 3.495 20 0 FGADHM Cc1cccc(NC(=O)CSCc2ccc(F)cc2-c2nn[n-]n2)c1C ZINC000737398225 598696872 /nfs/dbraw/zinc/69/68/72/598696872.db2.gz FMUTXWKATGXRRX-UHFFFAOYSA-N -1 3 371.441 3.495 20 0 FGADHM Cc1ccc(NC(=O)CSCc2ccc(F)cc2-c2nnn[n-]2)c(C)c1 ZINC000737356351 598698001 /nfs/dbraw/zinc/69/80/01/598698001.db2.gz FWJLTVIQWGPBKX-UHFFFAOYSA-N -1 3 371.441 3.495 20 0 FGADHM Cc1ccc(NC(=O)CSCc2ccc(F)cc2-c2nn[n-]n2)c(C)c1 ZINC000737356351 598698003 /nfs/dbraw/zinc/69/80/03/598698003.db2.gz FWJLTVIQWGPBKX-UHFFFAOYSA-N -1 3 371.441 3.495 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N1CCCC2(CCCCC2)C1 ZINC000737795934 598699186 /nfs/dbraw/zinc/69/91/86/598699186.db2.gz CSNBPUIKZWCVKK-KTKRTIGZSA-N -1 3 351.454 3.453 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N1CCCC2(CCCCC2)C1 ZINC000737795934 598699187 /nfs/dbraw/zinc/69/91/87/598699187.db2.gz CSNBPUIKZWCVKK-KTKRTIGZSA-N -1 3 351.454 3.453 20 0 FGADHM CC(C)(C(=O)OCc1cc(-c2nnn[n-]2)ccc1F)c1ccc(F)cc1 ZINC000735582110 598712301 /nfs/dbraw/zinc/71/23/01/598712301.db2.gz GARJQYUMHUMWKU-UHFFFAOYSA-N -1 3 358.348 3.166 20 0 FGADHM CC(C)(C(=O)OCc1cc(-c2nn[n-]n2)ccc1F)c1ccc(F)cc1 ZINC000735582110 598712302 /nfs/dbraw/zinc/71/23/02/598712302.db2.gz GARJQYUMHUMWKU-UHFFFAOYSA-N -1 3 358.348 3.166 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H]1CCCC[C@@H]1C(C)C ZINC000737062294 598716954 /nfs/dbraw/zinc/71/69/54/598716954.db2.gz IIWNRHVMLCCVAS-KGLIPLIRSA-N -1 3 358.446 3.212 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H]1CCCC[C@@H]1C(C)C ZINC000737062294 598716952 /nfs/dbraw/zinc/71/69/52/598716952.db2.gz IIWNRHVMLCCVAS-KGLIPLIRSA-N -1 3 358.446 3.212 20 0 FGADHM Cc1cc(NCCCOC(C)C)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000737281787 598718066 /nfs/dbraw/zinc/71/80/66/598718066.db2.gz ZUZZDZDCDYLVCN-UHFFFAOYSA-N -1 3 365.441 3.203 20 0 FGADHM Cc1cc(NCCCOC(C)C)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC000737281787 598718068 /nfs/dbraw/zinc/71/80/68/598718068.db2.gz ZUZZDZDCDYLVCN-UHFFFAOYSA-N -1 3 365.441 3.203 20 0 FGADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)N1CCCc2cccc(Cl)c21 ZINC000737959887 598723136 /nfs/dbraw/zinc/72/31/36/598723136.db2.gz DGKUJQOGAJZDII-UHFFFAOYSA-N -1 3 353.813 3.042 20 0 FGADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)N1CCCc2cccc(Cl)c21 ZINC000737959887 598723137 /nfs/dbraw/zinc/72/31/37/598723137.db2.gz DGKUJQOGAJZDII-UHFFFAOYSA-N -1 3 353.813 3.042 20 0 FGADHM O=C(Nc1cccc(Oc2ccncc2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738182310 598754338 /nfs/dbraw/zinc/75/43/38/598754338.db2.gz CJVHYPQNNSENMB-UHFFFAOYSA-N -1 3 358.361 3.306 20 0 FGADHM O=C(Nc1cccc(Oc2ccncc2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738182310 598754339 /nfs/dbraw/zinc/75/43/39/598754339.db2.gz CJVHYPQNNSENMB-UHFFFAOYSA-N -1 3 358.361 3.306 20 0 FGADHM Cc1ccccc1[C@H](O)CNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000737419611 598773229 /nfs/dbraw/zinc/77/32/29/598773229.db2.gz FIPSYINSRBYGLH-OAHLLOKOSA-N -1 3 363.343 3.339 20 0 FGADHM Cc1ccccc1[C@H](O)CNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000737419611 598773230 /nfs/dbraw/zinc/77/32/30/598773230.db2.gz FIPSYINSRBYGLH-OAHLLOKOSA-N -1 3 363.343 3.339 20 0 FGADHM CC[C@@H](Cc1ccccc1)C(=O)OCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736349006 598779113 /nfs/dbraw/zinc/77/91/13/598779113.db2.gz CRJDWGGMHDMMJY-INIZCTEOSA-N -1 3 366.421 3.058 20 0 FGADHM CC[C@@H](Cc1ccccc1)C(=O)OCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736349006 598779114 /nfs/dbraw/zinc/77/91/14/598779114.db2.gz CRJDWGGMHDMMJY-INIZCTEOSA-N -1 3 366.421 3.058 20 0 FGADHM CCC(=CC(=O)OCCOc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000736305873 598780169 /nfs/dbraw/zinc/78/01/69/598780169.db2.gz XNHPFJBFMBREMF-PFONDFGASA-N -1 3 364.405 3.282 20 0 FGADHM CCC(=CC(=O)OCCOc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000736305873 598780170 /nfs/dbraw/zinc/78/01/70/598780170.db2.gz XNHPFJBFMBREMF-PFONDFGASA-N -1 3 364.405 3.282 20 0 FGADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCC2)[C@@H]1CCc2ccccc21 ZINC000738206086 598789342 /nfs/dbraw/zinc/78/93/42/598789342.db2.gz BOMAAFRNNMVRHR-CYBMUJFWSA-N -1 3 365.462 3.476 20 0 FGADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCC2)[C@@H]1CCc2ccccc21 ZINC000738206086 598789343 /nfs/dbraw/zinc/78/93/43/598789343.db2.gz BOMAAFRNNMVRHR-CYBMUJFWSA-N -1 3 365.462 3.476 20 0 FGADHM C[C@@H]1CCc2c(sc(NC(=O)C3CCSCC3)c2-c2nnn[n-]2)C1 ZINC000736278538 598789551 /nfs/dbraw/zinc/78/95/51/598789551.db2.gz GTVAKBBMONYHRC-SECBINFHSA-N -1 3 363.512 3.135 20 0 FGADHM C[C@@H]1CCc2c(sc(NC(=O)C3CCSCC3)c2-c2nn[n-]n2)C1 ZINC000736278538 598789553 /nfs/dbraw/zinc/78/95/53/598789553.db2.gz GTVAKBBMONYHRC-SECBINFHSA-N -1 3 363.512 3.135 20 0 FGADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCCC2)C1CCSCC1 ZINC000738206731 598791011 /nfs/dbraw/zinc/79/10/11/598791011.db2.gz GSNXHHQZTVZQFY-UHFFFAOYSA-N -1 3 363.512 3.279 20 0 FGADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCCC2)C1CCSCC1 ZINC000738206731 598791012 /nfs/dbraw/zinc/79/10/12/598791012.db2.gz GSNXHHQZTVZQFY-UHFFFAOYSA-N -1 3 363.512 3.279 20 0 FGADHM CC(C)[C@H](c1ccccc1)N(C)C(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC000735733447 598793675 /nfs/dbraw/zinc/79/36/75/598793675.db2.gz ANPLPGPNROTNSF-LJQANCHMSA-N -1 3 364.453 3.134 20 0 FGADHM COc1ccccc1OCCCNc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000737152868 598796149 /nfs/dbraw/zinc/79/61/49/598796149.db2.gz SRJNSOAPJPPBIB-UHFFFAOYSA-N -1 3 359.817 3.410 20 0 FGADHM COc1ccccc1OCCCNc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000737152868 598796151 /nfs/dbraw/zinc/79/61/51/598796151.db2.gz SRJNSOAPJPPBIB-UHFFFAOYSA-N -1 3 359.817 3.410 20 0 FGADHM CC[C@@H](OC1CCCC1)C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000736377990 598802368 /nfs/dbraw/zinc/80/23/68/598802368.db2.gz PYMKAJDWYUZIJK-GOSISDBHSA-N -1 3 369.469 3.096 20 0 FGADHM CC[C@@H](OC1CCCC1)C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000736377990 598802370 /nfs/dbraw/zinc/80/23/70/598802370.db2.gz PYMKAJDWYUZIJK-GOSISDBHSA-N -1 3 369.469 3.096 20 0 FGADHM COc1ccccc1[C@H](Nc1ncccc1-c1nnn[n-]1)c1ccccc1 ZINC000737145647 598816589 /nfs/dbraw/zinc/81/65/89/598816589.db2.gz DKOXXPDAKFEJDM-GOSISDBHSA-N -1 3 358.405 3.472 20 0 FGADHM COc1ccccc1[C@H](Nc1ncccc1-c1nn[n-]n1)c1ccccc1 ZINC000737145647 598816591 /nfs/dbraw/zinc/81/65/91/598816591.db2.gz DKOXXPDAKFEJDM-GOSISDBHSA-N -1 3 358.405 3.472 20 0 FGADHM C[C@H](NC(=O)c1sccc1OC(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000736124287 598817155 /nfs/dbraw/zinc/81/71/55/598817155.db2.gz GPGHWMDUVMWESW-QMMMGPOBSA-N -1 3 365.365 3.021 20 0 FGADHM C[C@H](NC(=O)c1sccc1OC(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000736124287 598817157 /nfs/dbraw/zinc/81/71/57/598817157.db2.gz GPGHWMDUVMWESW-QMMMGPOBSA-N -1 3 365.365 3.021 20 0 FGADHM NC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(-c2nnn[n-]2)c1 ZINC000822879846 599295627 /nfs/dbraw/zinc/29/56/27/599295627.db2.gz HKWUIUMYSBRDKW-UHFFFAOYSA-N -1 3 364.287 3.168 20 0 FGADHM NC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(-c2nn[n-]n2)c1 ZINC000822879846 599295629 /nfs/dbraw/zinc/29/56/29/599295629.db2.gz HKWUIUMYSBRDKW-UHFFFAOYSA-N -1 3 364.287 3.168 20 0 FGADHM Cc1ccc2c(CC(=O)N(C)c3ccc(-c4nnn[n-]4)cc3)coc2c1C ZINC000737372734 599306578 /nfs/dbraw/zinc/30/65/78/599306578.db2.gz IUVOQCIRCGHVGJ-UHFFFAOYSA-N -1 3 361.405 3.435 20 0 FGADHM Cc1ccc2c(CC(=O)N(C)c3ccc(-c4nn[n-]n4)cc3)coc2c1C ZINC000737372734 599306581 /nfs/dbraw/zinc/30/65/81/599306581.db2.gz IUVOQCIRCGHVGJ-UHFFFAOYSA-N -1 3 361.405 3.435 20 0 FGADHM CCN(C(=O)[C@H](C)Oc1cccc(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736501859 599309445 /nfs/dbraw/zinc/30/94/45/599309445.db2.gz HJLHQYVVCJYLKU-LBPRGKRZSA-N -1 3 371.828 3.341 20 0 FGADHM CCN(C(=O)[C@H](C)Oc1cccc(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736501859 599309441 /nfs/dbraw/zinc/30/94/41/599309441.db2.gz HJLHQYVVCJYLKU-LBPRGKRZSA-N -1 3 371.828 3.341 20 0 FGADHM C[C@H](NC(=O)[C@H]1C[C@@]12CCCc1ccccc12)c1ccc(-c2nnn[n-]2)cc1 ZINC000820321609 599311048 /nfs/dbraw/zinc/31/10/48/599311048.db2.gz JLDUOEVHVDSQRL-BPSNYSSFSA-N -1 3 373.460 3.338 20 0 FGADHM C[C@H](NC(=O)[C@H]1C[C@@]12CCCc1ccccc12)c1ccc(-c2nn[n-]n2)cc1 ZINC000820321609 599311052 /nfs/dbraw/zinc/31/10/52/599311052.db2.gz JLDUOEVHVDSQRL-BPSNYSSFSA-N -1 3 373.460 3.338 20 0 FGADHM CCN(C(=O)COc1ccc(C(C)C)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736505318 599311637 /nfs/dbraw/zinc/31/16/37/599311637.db2.gz LOUNLZXSWAPDTB-UHFFFAOYSA-N -1 3 365.437 3.422 20 0 FGADHM CCN(C(=O)COc1ccc(C(C)C)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736505318 599311640 /nfs/dbraw/zinc/31/16/40/599311640.db2.gz LOUNLZXSWAPDTB-UHFFFAOYSA-N -1 3 365.437 3.422 20 0 FGADHM CCN(C(=O)c1cc(-c2ccccc2)no1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736505503 599312159 /nfs/dbraw/zinc/31/21/59/599312159.db2.gz KMHGNCSIPKWBQR-UHFFFAOYSA-N -1 3 360.377 3.188 20 0 FGADHM CCN(C(=O)c1cc(-c2ccccc2)no1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736505503 599312162 /nfs/dbraw/zinc/31/21/62/599312162.db2.gz KMHGNCSIPKWBQR-UHFFFAOYSA-N -1 3 360.377 3.188 20 0 FGADHM CCN(C(=O)c1nc(Cl)ccc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000736509338 599314553 /nfs/dbraw/zinc/31/45/53/599314553.db2.gz VGMADKORTGQVFA-UHFFFAOYSA-N -1 3 363.208 3.235 20 0 FGADHM CCN(C(=O)c1nc(Cl)ccc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000736509338 599314555 /nfs/dbraw/zinc/31/45/55/599314555.db2.gz VGMADKORTGQVFA-UHFFFAOYSA-N -1 3 363.208 3.235 20 0 FGADHM S=C(NCC1(Cc2ccccc2)CC1)Nc1ccccc1-c1nnn[n-]1 ZINC000823733337 607368721 /nfs/dbraw/zinc/36/87/21/607368721.db2.gz UNRGWFXBEDPAOA-UHFFFAOYSA-N -1 3 364.478 3.176 20 0 FGADHM S=C(NCC1(Cc2ccccc2)CC1)Nc1ccccc1-c1nn[n-]n1 ZINC000823733337 607368723 /nfs/dbraw/zinc/36/87/23/607368723.db2.gz UNRGWFXBEDPAOA-UHFFFAOYSA-N -1 3 364.478 3.176 20 0 FGADHM CC(C)c1ccc(S(=O)(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000820191965 599323920 /nfs/dbraw/zinc/32/39/20/599323920.db2.gz CCRDKIUNTZWPAE-ZDUSSCGKSA-N -1 3 371.466 3.030 20 0 FGADHM CC(C)c1ccc(S(=O)(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000820191965 599323922 /nfs/dbraw/zinc/32/39/22/599323922.db2.gz CCRDKIUNTZWPAE-ZDUSSCGKSA-N -1 3 371.466 3.030 20 0 FGADHM CNC(=O)c1cccc(CS[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736883756 599326601 /nfs/dbraw/zinc/32/66/01/599326601.db2.gz YYYVEUDKZNBTSC-LBPRGKRZSA-N -1 3 353.451 3.221 20 0 FGADHM CNC(=O)c1cccc(CS[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736883756 599326603 /nfs/dbraw/zinc/32/66/03/599326603.db2.gz YYYVEUDKZNBTSC-LBPRGKRZSA-N -1 3 353.451 3.221 20 0 FGADHM C[C@@H](SCC(=O)N(C)Cc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736189140 599330763 /nfs/dbraw/zinc/33/07/63/599330763.db2.gz OAOMPSAKLVEJSK-CQSZACIVSA-N -1 3 367.478 3.320 20 0 FGADHM C[C@@H](SCC(=O)N(C)Cc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736189140 599330765 /nfs/dbraw/zinc/33/07/65/599330765.db2.gz OAOMPSAKLVEJSK-CQSZACIVSA-N -1 3 367.478 3.320 20 0 FGADHM C[C@@H](S[C@@H](C)C(=O)N1CCC(C)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736278254 599331140 /nfs/dbraw/zinc/33/11/40/599331140.db2.gz QMQCWIDWDRVHBG-KGLIPLIRSA-N -1 3 359.499 3.308 20 0 FGADHM C[C@@H](S[C@@H](C)C(=O)N1CCC(C)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736278254 599331142 /nfs/dbraw/zinc/33/11/42/599331142.db2.gz QMQCWIDWDRVHBG-KGLIPLIRSA-N -1 3 359.499 3.308 20 0 FGADHM CCc1ccc([C@H](C)NC(=O)CSc2ccccc2-c2nnn[n-]2)cc1 ZINC000821480983 599342036 /nfs/dbraw/zinc/34/20/36/599342036.db2.gz GZTQNPZZADKKAU-ZDUSSCGKSA-N -1 3 367.478 3.399 20 0 FGADHM CCc1ccc([C@H](C)NC(=O)CSc2ccccc2-c2nn[n-]n2)cc1 ZINC000821480983 599342039 /nfs/dbraw/zinc/34/20/39/599342039.db2.gz GZTQNPZZADKKAU-ZDUSSCGKSA-N -1 3 367.478 3.399 20 0 FGADHM CCOC(=O)[C@@H](Cc1ccccc1)Sc1ccccc1-c1nnn[n-]1 ZINC000821319644 599344219 /nfs/dbraw/zinc/34/42/19/599344219.db2.gz GPGHKQZUZUJYGP-MRXNPFEDSA-N -1 3 354.435 3.133 20 0 FGADHM CCOC(=O)[C@@H](Cc1ccccc1)Sc1ccccc1-c1nn[n-]n1 ZINC000821319644 599344223 /nfs/dbraw/zinc/34/42/23/599344223.db2.gz GPGHKQZUZUJYGP-MRXNPFEDSA-N -1 3 354.435 3.133 20 0 FGADHM C[C@H](Sc1ccccc1-c1nnn[n-]1)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000820555818 599344479 /nfs/dbraw/zinc/34/44/79/599344479.db2.gz PXDIYNRHEXGVNS-GUIRCDHDSA-N -1 3 359.499 3.288 20 0 FGADHM C[C@H](Sc1ccccc1-c1nn[n-]n1)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000820555818 599344482 /nfs/dbraw/zinc/34/44/82/599344482.db2.gz PXDIYNRHEXGVNS-GUIRCDHDSA-N -1 3 359.499 3.288 20 0 FGADHM Cc1ccc(F)cc1NC(=O)[C@@H](C)Sc1ccccc1-c1nnn[n-]1 ZINC000822241261 599348187 /nfs/dbraw/zinc/34/81/87/599348187.db2.gz PTSKRTGMRPDLPJ-LLVKDONJSA-N -1 3 357.414 3.434 20 0 FGADHM Cc1ccc(F)cc1NC(=O)[C@@H](C)Sc1ccccc1-c1nn[n-]n1 ZINC000822241261 599348189 /nfs/dbraw/zinc/34/81/89/599348189.db2.gz PTSKRTGMRPDLPJ-LLVKDONJSA-N -1 3 357.414 3.434 20 0 FGADHM COC[C@@H](Nc1ncccc1-c1nnn[n-]1)c1cccc(C(F)(F)F)c1 ZINC000736979347 599350436 /nfs/dbraw/zinc/35/04/36/599350436.db2.gz UKACYXQYQLTPMQ-CYBMUJFWSA-N -1 3 364.331 3.080 20 0 FGADHM COC[C@@H](Nc1ncccc1-c1nn[n-]n1)c1cccc(C(F)(F)F)c1 ZINC000736979347 599350441 /nfs/dbraw/zinc/35/04/41/599350441.db2.gz UKACYXQYQLTPMQ-CYBMUJFWSA-N -1 3 364.331 3.080 20 0 FGADHM Cc1nc(N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc(-c2cccnc2)n1 ZINC000822453751 599353157 /nfs/dbraw/zinc/35/31/57/599353157.db2.gz OHKHMNXTPMXUQC-GFCCVEGCSA-N -1 3 358.409 3.200 20 0 FGADHM Cc1nc(N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc(-c2cccnc2)n1 ZINC000822453751 599353159 /nfs/dbraw/zinc/35/31/59/599353159.db2.gz OHKHMNXTPMXUQC-GFCCVEGCSA-N -1 3 358.409 3.200 20 0 FGADHM CC[C@H](CC(=O)OCC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000825081664 607371514 /nfs/dbraw/zinc/37/15/14/607371514.db2.gz LPKFJXAQCQYEOK-CQSZACIVSA-N -1 3 364.405 3.177 20 0 FGADHM CC[C@H](CC(=O)OCC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000825081664 607371515 /nfs/dbraw/zinc/37/15/15/607371515.db2.gz LPKFJXAQCQYEOK-CQSZACIVSA-N -1 3 364.405 3.177 20 0 FGADHM C[C@@H](N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1nnc(-c2ccccc2)o1 ZINC000820411259 599389723 /nfs/dbraw/zinc/38/97/23/599389723.db2.gz HPKTZFRFZZWNJY-QWHCGFSZSA-N -1 3 361.409 3.329 20 0 FGADHM COc1ccc(CN[C@H](c2ccccc2)c2ccccn2)cc1-c1nnn[n-]1 ZINC000821803690 599393092 /nfs/dbraw/zinc/39/30/92/599393092.db2.gz GWYRSQNSGSAEPD-HXUWFJFHSA-N -1 3 372.432 3.150 20 0 FGADHM COc1ccc(CN[C@H](c2ccccc2)c2ccccn2)cc1-c1nn[n-]n1 ZINC000821803690 599393096 /nfs/dbraw/zinc/39/30/96/599393096.db2.gz GWYRSQNSGSAEPD-HXUWFJFHSA-N -1 3 372.432 3.150 20 0 FGADHM C[C@H](CCc1ccccc1)NC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820253103 599398277 /nfs/dbraw/zinc/39/82/77/599398277.db2.gz FLDFQWZZBYDOAF-HUUCEWRRSA-N -1 3 364.453 3.248 20 0 FGADHM C[C@H](CCc1ccccc1)NC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820253103 599398280 /nfs/dbraw/zinc/39/82/80/599398280.db2.gz FLDFQWZZBYDOAF-HUUCEWRRSA-N -1 3 364.453 3.248 20 0 FGADHM COc1cccc(CCNc2cc(Cl)ccc2-c2nnn[n-]2)c1OC ZINC000737131000 599412112 /nfs/dbraw/zinc/41/21/12/599412112.db2.gz LUVWBTVWMLOACP-UHFFFAOYSA-N -1 3 359.817 3.192 20 0 FGADHM COc1cccc(CCNc2cc(Cl)ccc2-c2nn[n-]n2)c1OC ZINC000737131000 599412114 /nfs/dbraw/zinc/41/21/14/599412114.db2.gz LUVWBTVWMLOACP-UHFFFAOYSA-N -1 3 359.817 3.192 20 0 FGADHM COc1cccc(CNc2cc(-c3nnn[n-]3)c3ccccc3n2)c1OC ZINC000737132412 599414968 /nfs/dbraw/zinc/41/49/68/599414968.db2.gz MOEQRNXBHZIUQU-UHFFFAOYSA-N -1 3 362.393 3.044 20 0 FGADHM COc1cccc(CNc2cc(-c3nn[n-]n3)c3ccccc3n2)c1OC ZINC000737132412 599414972 /nfs/dbraw/zinc/41/49/72/599414972.db2.gz MOEQRNXBHZIUQU-UHFFFAOYSA-N -1 3 362.393 3.044 20 0 FGADHM C[C@@H](NC(=O)NCC[C@H](C)c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820240497 599430300 /nfs/dbraw/zinc/43/03/00/599430300.db2.gz BZCGKTYCMMGBNF-LSDHHAIUSA-N -1 3 364.453 3.421 20 0 FGADHM C[C@@H](NC(=O)NCC[C@H](C)c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820240497 599430302 /nfs/dbraw/zinc/43/03/02/599430302.db2.gz BZCGKTYCMMGBNF-LSDHHAIUSA-N -1 3 364.453 3.421 20 0 FGADHM Cc1ccc2c(c1)[C@H](NC(=O)N[C@H](C)c1cccc(-c3nnn[n-]3)c1)CC2 ZINC000822275404 599437495 /nfs/dbraw/zinc/43/74/95/599437495.db2.gz UENKFEMDHLKZOJ-FZKQIMNGSA-N -1 3 362.437 3.223 20 0 FGADHM Cc1ccc2c(c1)[C@H](NC(=O)N[C@H](C)c1cccc(-c3nn[n-]n3)c1)CC2 ZINC000822275404 599437497 /nfs/dbraw/zinc/43/74/97/599437497.db2.gz UENKFEMDHLKZOJ-FZKQIMNGSA-N -1 3 362.437 3.223 20 0 FGADHM C[C@](O)(CNc1cc(Cl)ccc1-c1nnn[n-]1)c1ccc(F)cc1F ZINC000736144559 599437987 /nfs/dbraw/zinc/43/79/87/599437987.db2.gz ZTWMVCFBPPDXOB-INIZCTEOSA-N -1 3 365.771 3.118 20 0 FGADHM C[C@](O)(CNc1cc(Cl)ccc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC000736144559 599437990 /nfs/dbraw/zinc/43/79/90/599437990.db2.gz ZTWMVCFBPPDXOB-INIZCTEOSA-N -1 3 365.771 3.118 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1COc1c(F)c(F)c(F)c(F)c1F ZINC000821749709 607378946 /nfs/dbraw/zinc/37/89/46/607378946.db2.gz VFFZDKVIAIOIMJ-UHFFFAOYSA-N -1 3 372.253 3.150 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1COc1c(F)c(F)c(F)c(F)c1F ZINC000821749709 607378948 /nfs/dbraw/zinc/37/89/48/607378948.db2.gz VFFZDKVIAIOIMJ-UHFFFAOYSA-N -1 3 372.253 3.150 20 0 FGADHM C[C@H](CCC(C)(C)C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735987471 599448214 /nfs/dbraw/zinc/44/82/14/599448214.db2.gz ZKISSPSTSCUSAL-SNVBAGLBSA-N -1 3 371.894 3.013 20 0 FGADHM C[C@H](CCC(C)(C)C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735987471 599448215 /nfs/dbraw/zinc/44/82/15/599448215.db2.gz ZKISSPSTSCUSAL-SNVBAGLBSA-N -1 3 371.894 3.013 20 0 FGADHM C[C@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1Cl ZINC000736119777 599453203 /nfs/dbraw/zinc/45/32/03/599453203.db2.gz UQXWFQVIXSXFOJ-JTQLQIEISA-N -1 3 374.807 3.220 20 0 FGADHM C[C@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1Cl ZINC000736119777 599453205 /nfs/dbraw/zinc/45/32/05/599453205.db2.gz UQXWFQVIXSXFOJ-JTQLQIEISA-N -1 3 374.807 3.220 20 0 FGADHM CC(C)[C@@H]1CCC[C@H](NC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC000820037578 599460100 /nfs/dbraw/zinc/46/01/00/599460100.db2.gz FFLKPDMWJAYLOL-DOMZBBRYSA-N -1 3 360.437 3.020 20 0 FGADHM CC(C)[C@@H]1CCC[C@H](NC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC000820037578 599460101 /nfs/dbraw/zinc/46/01/01/599460101.db2.gz FFLKPDMWJAYLOL-DOMZBBRYSA-N -1 3 360.437 3.020 20 0 FGADHM Cc1nc(C(C)(C)NC(=S)Nc2ccccc2-c2nnn[n-]2)sc1C ZINC000737467950 599464308 /nfs/dbraw/zinc/46/43/08/599464308.db2.gz LPTFMCJZNWRQLN-UHFFFAOYSA-N -1 3 373.511 3.162 20 0 FGADHM Cc1nc(C(C)(C)NC(=S)Nc2ccccc2-c2nn[n-]n2)sc1C ZINC000737467950 599464309 /nfs/dbraw/zinc/46/43/09/599464309.db2.gz LPTFMCJZNWRQLN-UHFFFAOYSA-N -1 3 373.511 3.162 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(C)(C)c1cccc(Cl)c1 ZINC000737059273 599465609 /nfs/dbraw/zinc/46/56/09/599465609.db2.gz UMBKYFARMYDVKR-UHFFFAOYSA-N -1 3 371.828 3.445 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(C)(C)c1cccc(Cl)c1 ZINC000737059273 599465611 /nfs/dbraw/zinc/46/56/11/599465611.db2.gz UMBKYFARMYDVKR-UHFFFAOYSA-N -1 3 371.828 3.445 20 0 FGADHM CN(C(=O)CCc1cc(Cl)cs1)c1ccc(-c2nnn[n-]2)cc1F ZINC000736733842 599465749 /nfs/dbraw/zinc/46/57/49/599465749.db2.gz XUVXVFYXSMTYDR-UHFFFAOYSA-N -1 3 365.821 3.316 20 0 FGADHM CN(C(=O)CCc1cc(Cl)cs1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736733842 599465751 /nfs/dbraw/zinc/46/57/51/599465751.db2.gz XUVXVFYXSMTYDR-UHFFFAOYSA-N -1 3 365.821 3.316 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H]1CC[C@@H](SC)C1 ZINC000821104513 599466377 /nfs/dbraw/zinc/46/63/77/599466377.db2.gz GXNJRZQXOZMNNJ-HZPDHXFCSA-N -1 3 374.514 3.072 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1CC[C@@H](SC)C1 ZINC000821104513 599466379 /nfs/dbraw/zinc/46/63/79/599466379.db2.gz GXNJRZQXOZMNNJ-HZPDHXFCSA-N -1 3 374.514 3.072 20 0 FGADHM C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736057234 599468008 /nfs/dbraw/zinc/46/80/08/599468008.db2.gz VMVVILNCTIOWMZ-LBPRGKRZSA-N -1 3 355.829 3.223 20 0 FGADHM C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736057234 599468016 /nfs/dbraw/zinc/46/80/16/599468016.db2.gz VMVVILNCTIOWMZ-LBPRGKRZSA-N -1 3 355.829 3.223 20 0 FGADHM CN(Cc1ccncc1)c1c(-c2nnn[n-]2)cnc2c(F)ccc(Cl)c21 ZINC000821615728 599469043 /nfs/dbraw/zinc/46/90/43/599469043.db2.gz KQVZKRMUEJLLHG-UHFFFAOYSA-N -1 3 369.791 3.239 20 0 FGADHM CN(Cc1ccncc1)c1c(-c2nn[n-]n2)cnc2c(F)ccc(Cl)c21 ZINC000821615728 599469045 /nfs/dbraw/zinc/46/90/45/599469045.db2.gz KQVZKRMUEJLLHG-UHFFFAOYSA-N -1 3 369.791 3.239 20 0 FGADHM C[C@@H](NC(=O)N(C)[C@@H](C)c1ccccc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000820342584 599473002 /nfs/dbraw/zinc/47/30/02/599473002.db2.gz VXISNMOUJGRKDV-OLZOCXBDSA-N -1 3 368.416 3.469 20 0 FGADHM C[C@@H](NC(=O)N(C)[C@@H](C)c1ccccc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000820342584 599473004 /nfs/dbraw/zinc/47/30/04/599473004.db2.gz VXISNMOUJGRKDV-OLZOCXBDSA-N -1 3 368.416 3.469 20 0 FGADHM Cc1ccc(NCc2cnc3ccc(-c4nnn[n-]4)cn23)cc1OC(F)F ZINC000737362502 599490992 /nfs/dbraw/zinc/49/09/92/599490992.db2.gz RJOYEKMXQPIZAB-UHFFFAOYSA-N -1 3 371.351 3.036 20 0 FGADHM Cc1ccc(NCc2cnc3ccc(-c4nn[n-]n4)cn23)cc1OC(F)F ZINC000737362502 599490996 /nfs/dbraw/zinc/49/09/96/599490996.db2.gz RJOYEKMXQPIZAB-UHFFFAOYSA-N -1 3 371.351 3.036 20 0 FGADHM O=C(CCc1cc(Cl)cs1)OCc1cc(-c2nnn[n-]2)ccc1F ZINC000737851744 599500237 /nfs/dbraw/zinc/50/02/37/599500237.db2.gz INYJDYXBWOYYSY-UHFFFAOYSA-N -1 3 366.805 3.397 20 0 FGADHM O=C(CCc1cc(Cl)cs1)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000737851744 599500239 /nfs/dbraw/zinc/50/02/39/599500239.db2.gz INYJDYXBWOYYSY-UHFFFAOYSA-N -1 3 366.805 3.397 20 0 FGADHM COc1ccc(CCNc2c(Cl)cccc2-c2nnn[n-]2)c(OC)c1 ZINC000821789902 599503834 /nfs/dbraw/zinc/50/38/34/599503834.db2.gz BMDZKUFSQFKSNB-UHFFFAOYSA-N -1 3 359.817 3.192 20 0 FGADHM COc1ccc(CCNc2c(Cl)cccc2-c2nn[n-]n2)c(OC)c1 ZINC000821789902 599503836 /nfs/dbraw/zinc/50/38/36/599503836.db2.gz BMDZKUFSQFKSNB-UHFFFAOYSA-N -1 3 359.817 3.192 20 0 FGADHM CC(C)(NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1cccc(F)c1 ZINC000735672009 599503931 /nfs/dbraw/zinc/50/39/31/599503931.db2.gz ZZUBXANFJJKQBO-UHFFFAOYSA-N -1 3 358.352 3.202 20 0 FGADHM CC(C)(NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1cccc(F)c1 ZINC000735672009 599503934 /nfs/dbraw/zinc/50/39/34/599503934.db2.gz ZZUBXANFJJKQBO-UHFFFAOYSA-N -1 3 358.352 3.202 20 0 FGADHM C[C@@H](NC(=O)c1ccc(OCC2CC2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820397772 599504145 /nfs/dbraw/zinc/50/41/45/599504145.db2.gz STIQAKLGGGIXOL-CYBMUJFWSA-N -1 3 363.421 3.147 20 0 FGADHM C[C@@H](NC(=O)c1ccc(OCC2CC2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820397772 599504147 /nfs/dbraw/zinc/50/41/47/599504147.db2.gz STIQAKLGGGIXOL-CYBMUJFWSA-N -1 3 363.421 3.147 20 0 FGADHM C[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820533589 599504343 /nfs/dbraw/zinc/50/43/43/599504343.db2.gz GMVZSSSPMNFFCJ-NWDGAFQWSA-N -1 3 371.828 3.165 20 0 FGADHM C[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820533589 599504346 /nfs/dbraw/zinc/50/43/46/599504346.db2.gz GMVZSSSPMNFFCJ-NWDGAFQWSA-N -1 3 371.828 3.165 20 0 FGADHM Cc1nc(CC(C)C)sc1C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822436001 599507808 /nfs/dbraw/zinc/50/78/08/599507808.db2.gz FDHXMIJMWKZXQC-LLVKDONJSA-N -1 3 370.482 3.321 20 0 FGADHM Cc1nc(CC(C)C)sc1C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822436001 599507810 /nfs/dbraw/zinc/50/78/10/599507810.db2.gz FDHXMIJMWKZXQC-LLVKDONJSA-N -1 3 370.482 3.321 20 0 FGADHM CC(C)(C)c1cn2c(n1)CC[C@@H](Nc1ccc(Cl)cc1-c1nnn[n-]1)C2 ZINC000819957690 599510131 /nfs/dbraw/zinc/51/01/31/599510131.db2.gz CNLVVFOAAXYESC-GFCCVEGCSA-N -1 3 371.876 3.441 20 0 FGADHM CC(C)(C)c1cn2c(n1)CC[C@@H](Nc1ccc(Cl)cc1-c1nn[n-]n1)C2 ZINC000819957690 599510133 /nfs/dbraw/zinc/51/01/33/599510133.db2.gz CNLVVFOAAXYESC-GFCCVEGCSA-N -1 3 371.876 3.441 20 0 FGADHM C[C@H](NC(=O)[C@H]1C[C@@]12CCCc1ccccc12)c1cccc(-c2nnn[n-]2)c1 ZINC000820323736 599516915 /nfs/dbraw/zinc/51/69/15/599516915.db2.gz YUPLZXCOJXSAFF-BPSNYSSFSA-N -1 3 373.460 3.338 20 0 FGADHM C[C@H](NC(=O)[C@H]1C[C@@]12CCCc1ccccc12)c1cccc(-c2nn[n-]n2)c1 ZINC000820323736 599516917 /nfs/dbraw/zinc/51/69/17/599516917.db2.gz YUPLZXCOJXSAFF-BPSNYSSFSA-N -1 3 373.460 3.338 20 0 FGADHM CCOc1ccccc1CCC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821431248 599517880 /nfs/dbraw/zinc/51/78/80/599517880.db2.gz NMMZIHHZHKSKIP-CQSZACIVSA-N -1 3 365.437 3.075 20 0 FGADHM CCOc1ccccc1CCC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821431248 599517882 /nfs/dbraw/zinc/51/78/82/599517882.db2.gz NMMZIHHZHKSKIP-CQSZACIVSA-N -1 3 365.437 3.075 20 0 FGADHM CC(C)(C)OC(=O)C1CCN(c2c(Cl)cccc2-c2nnn[n-]2)CC1 ZINC000819923265 599520598 /nfs/dbraw/zinc/52/05/98/599520598.db2.gz XHJNIIKRCYPXKS-UHFFFAOYSA-N -1 3 363.849 3.078 20 0 FGADHM CC(C)(C)OC(=O)C1CCN(c2c(Cl)cccc2-c2nn[n-]n2)CC1 ZINC000819923265 599520599 /nfs/dbraw/zinc/52/05/99/599520599.db2.gz XHJNIIKRCYPXKS-UHFFFAOYSA-N -1 3 363.849 3.078 20 0 FGADHM C[C@H](NC(=O)CCOc1cccc(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820329494 599520894 /nfs/dbraw/zinc/52/08/94/599520894.db2.gz WPDXVMYESKLVJL-LBPRGKRZSA-N -1 3 371.828 3.166 20 0 FGADHM C[C@H](NC(=O)CCOc1cccc(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820329494 599520897 /nfs/dbraw/zinc/52/08/97/599520897.db2.gz WPDXVMYESKLVJL-LBPRGKRZSA-N -1 3 371.828 3.166 20 0 FGADHM C[C@@H](NC(=O)Cc1csc(C(C)(C)C)n1)c1cccc(-c2nnn[n-]2)c1 ZINC000820334062 599523626 /nfs/dbraw/zinc/52/36/26/599523626.db2.gz KDPILWIBQASJDN-LLVKDONJSA-N -1 3 370.482 3.041 20 0 FGADHM C[C@@H](NC(=O)Cc1csc(C(C)(C)C)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000820334062 599523629 /nfs/dbraw/zinc/52/36/29/599523629.db2.gz KDPILWIBQASJDN-LLVKDONJSA-N -1 3 370.482 3.041 20 0 FGADHM Cc1cccc2nc(CNc3ccc(-c4nn[n-]n4)cc3C(F)(F)F)cn21 ZINC000737416480 599524893 /nfs/dbraw/zinc/52/48/93/599524893.db2.gz ARIXUROZGFWSPT-UHFFFAOYSA-N -1 3 373.342 3.454 20 0 FGADHM CC(C)COc1cccc(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000820102616 599527523 /nfs/dbraw/zinc/52/75/23/599527523.db2.gz DRKZIBUKTCVZGO-AWEZNQCLSA-N -1 3 365.437 3.393 20 0 FGADHM CC(C)COc1cccc(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000820102616 599527526 /nfs/dbraw/zinc/52/75/26/599527526.db2.gz DRKZIBUKTCVZGO-AWEZNQCLSA-N -1 3 365.437 3.393 20 0 FGADHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(NCc3cc(F)ccc3F)c2c1 ZINC000822196444 599529274 /nfs/dbraw/zinc/52/92/74/599529274.db2.gz JOECANJGWULIBV-UHFFFAOYSA-N -1 3 366.375 3.344 20 0 FGADHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(NCc3cc(F)ccc3F)c2c1 ZINC000822196444 599529276 /nfs/dbraw/zinc/52/92/76/599529276.db2.gz JOECANJGWULIBV-UHFFFAOYSA-N -1 3 366.375 3.344 20 0 FGADHM CC[C@@H](c1ccncc1)N(C)c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000736396698 599530310 /nfs/dbraw/zinc/53/03/10/599530310.db2.gz NPZCNJUZZRCEMH-LBPRGKRZSA-N -1 3 363.347 3.263 20 0 FGADHM CC[C@@H](c1ccncc1)N(C)c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000736396698 599530312 /nfs/dbraw/zinc/53/03/12/599530312.db2.gz NPZCNJUZZRCEMH-LBPRGKRZSA-N -1 3 363.347 3.263 20 0 FGADHM CC[C@H](C)[C@H]1CCCCN1C(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000736330613 599547924 /nfs/dbraw/zinc/54/79/24/599547924.db2.gz MTRYZDHIUPFJHJ-SQWLQELKSA-N -1 3 357.458 3.061 20 0 FGADHM CC[C@H](C)[C@H]1CCCCN1C(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000736330613 599547925 /nfs/dbraw/zinc/54/79/25/599547925.db2.gz MTRYZDHIUPFJHJ-SQWLQELKSA-N -1 3 357.458 3.061 20 0 FGADHM CC[C@@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccc(F)cc1F ZINC000736353340 599550021 /nfs/dbraw/zinc/55/00/21/599550021.db2.gz ARFQGPZAXBKLEG-CGQZWFTASA-N -1 3 369.375 3.426 20 0 FGADHM CC[C@@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC000736353340 599550023 /nfs/dbraw/zinc/55/00/23/599550023.db2.gz ARFQGPZAXBKLEG-CGQZWFTASA-N -1 3 369.375 3.426 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCc1coc(-c2ccccc2)n1 ZINC000826252502 607383686 /nfs/dbraw/zinc/38/36/86/607383686.db2.gz FQRWAVRRHYKOQN-UHFFFAOYSA-N -1 3 361.361 3.187 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCc1coc(-c2ccccc2)n1 ZINC000826252502 607383688 /nfs/dbraw/zinc/38/36/88/607383688.db2.gz FQRWAVRRHYKOQN-UHFFFAOYSA-N -1 3 361.361 3.187 20 0 FGADHM C[C@H]1c2c(F)cccc2CCN1C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000736303158 599555470 /nfs/dbraw/zinc/55/54/70/599555470.db2.gz RZNRLIDZJLOPJS-LXKVQUBZSA-N -1 3 363.396 3.165 20 0 FGADHM C[C@H]1c2c(F)cccc2CCN1C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000736303158 599555471 /nfs/dbraw/zinc/55/54/71/599555471.db2.gz RZNRLIDZJLOPJS-LXKVQUBZSA-N -1 3 363.396 3.165 20 0 FGADHM CC(C)(CNc1c(-c2nnn[n-]2)cnc2ccccc21)c1cccs1 ZINC000819984366 599557069 /nfs/dbraw/zinc/55/70/69/599557069.db2.gz SWJWWEAZJGCPNA-UHFFFAOYSA-N -1 3 350.451 3.288 20 0 FGADHM CC(C)(CNc1c(-c2nn[n-]n2)cnc2ccccc21)c1cccs1 ZINC000819984366 599557070 /nfs/dbraw/zinc/55/70/70/599557070.db2.gz SWJWWEAZJGCPNA-UHFFFAOYSA-N -1 3 350.451 3.288 20 0 FGADHM C[C@@H]1CN(Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)c2ccccc21 ZINC000820760006 599563954 /nfs/dbraw/zinc/56/39/54/599563954.db2.gz OWJCKTYNEAZJDL-GFCCVEGCSA-N -1 3 359.393 3.040 20 0 FGADHM C[C@@H]1CN(Cc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)c2ccccc21 ZINC000820760006 599563957 /nfs/dbraw/zinc/56/39/57/599563957.db2.gz OWJCKTYNEAZJDL-GFCCVEGCSA-N -1 3 359.393 3.040 20 0 FGADHM C[C@H]1CN(Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)c2ccccc21 ZINC000820760007 599564094 /nfs/dbraw/zinc/56/40/94/599564094.db2.gz OWJCKTYNEAZJDL-LBPRGKRZSA-N -1 3 359.393 3.040 20 0 FGADHM C[C@H]1CN(Cc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)c2ccccc21 ZINC000820760007 599564096 /nfs/dbraw/zinc/56/40/96/599564096.db2.gz OWJCKTYNEAZJDL-LBPRGKRZSA-N -1 3 359.393 3.040 20 0 FGADHM C[C@@H]1Cc2ccccc2N(Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)C1 ZINC000820814238 599574030 /nfs/dbraw/zinc/57/40/30/599574030.db2.gz TWZHCNQATSWCND-CYBMUJFWSA-N -1 3 373.420 3.116 20 0 FGADHM C[C@@H]1Cc2ccccc2N(Cc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)C1 ZINC000820814238 599574033 /nfs/dbraw/zinc/57/40/33/599574033.db2.gz TWZHCNQATSWCND-CYBMUJFWSA-N -1 3 373.420 3.116 20 0 FGADHM Cc1cccc(C)c1COC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000737390548 599605517 /nfs/dbraw/zinc/60/55/17/599605517.db2.gz RDHBYIHAVUYREF-UHFFFAOYSA-N -1 3 368.462 3.460 20 0 FGADHM Cc1cccc(C)c1COC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000737390548 599605518 /nfs/dbraw/zinc/60/55/18/599605518.db2.gz RDHBYIHAVUYREF-UHFFFAOYSA-N -1 3 368.462 3.460 20 0 FGADHM C[C@@H](OC(=O)c1cccc(-c2cnn(C)c2)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820512956 599622310 /nfs/dbraw/zinc/62/23/10/599622310.db2.gz QOWYSKORXLSJNM-CYBMUJFWSA-N -1 3 374.404 3.185 20 0 FGADHM C[C@@H](OC(=O)c1cccc(-c2cnn(C)c2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820512956 599622311 /nfs/dbraw/zinc/62/23/11/599622311.db2.gz QOWYSKORXLSJNM-CYBMUJFWSA-N -1 3 374.404 3.185 20 0 FGADHM C[C@@H](CCc1ccccc1F)C(=O)OCc1cccc(-c2nnn[n-]2)c1 ZINC000820253207 599623703 /nfs/dbraw/zinc/62/37/03/599623703.db2.gz GVGMNFQIEPQANZ-ZDUSSCGKSA-N -1 3 354.385 3.318 20 0 FGADHM C[C@@H](CCc1ccccc1F)C(=O)OCc1cccc(-c2nn[n-]n2)c1 ZINC000820253207 599623704 /nfs/dbraw/zinc/62/37/04/599623704.db2.gz GVGMNFQIEPQANZ-ZDUSSCGKSA-N -1 3 354.385 3.318 20 0 FGADHM C[C@H]1CC(OC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)C[C@H](C)C1 ZINC000820650149 599625297 /nfs/dbraw/zinc/62/52/97/599625297.db2.gz QYJCLJUSRBZTOH-CHWSQXEVSA-N -1 3 360.483 3.468 20 0 FGADHM C[C@H]1CC(OC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)C[C@H](C)C1 ZINC000820650149 599625298 /nfs/dbraw/zinc/62/52/98/599625298.db2.gz QYJCLJUSRBZTOH-CHWSQXEVSA-N -1 3 360.483 3.468 20 0 FGADHM O=C(CCC(F)(F)F)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000822950299 599629052 /nfs/dbraw/zinc/62/90/52/599629052.db2.gz JCFMIONAILYWRA-UHFFFAOYSA-N -1 3 359.377 3.478 20 0 FGADHM O=C(CCC(F)(F)F)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000822950299 599629053 /nfs/dbraw/zinc/62/90/53/599629053.db2.gz JCFMIONAILYWRA-UHFFFAOYSA-N -1 3 359.377 3.478 20 0 FGADHM CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)Oc1ccc(-c2nnn[n-]2)cc1OC ZINC000820939452 599629444 /nfs/dbraw/zinc/62/94/44/599629444.db2.gz URZOOGAXBRTBJA-SNPRPXQTSA-N -1 3 374.441 3.155 20 0 FGADHM CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)Oc1ccc(-c2nn[n-]n2)cc1OC ZINC000820939452 599629445 /nfs/dbraw/zinc/62/94/45/599629445.db2.gz URZOOGAXBRTBJA-SNPRPXQTSA-N -1 3 374.441 3.155 20 0 FGADHM CCOc1c(F)cccc1C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000821389542 599629722 /nfs/dbraw/zinc/62/97/22/599629722.db2.gz NRAOUNNRGCKKME-UHFFFAOYSA-N -1 3 361.764 3.310 20 0 FGADHM CCOc1c(F)cccc1C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000821389542 599629723 /nfs/dbraw/zinc/62/97/23/599629723.db2.gz NRAOUNNRGCKKME-UHFFFAOYSA-N -1 3 361.764 3.310 20 0 FGADHM CSCCCCC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000821962761 599633586 /nfs/dbraw/zinc/63/35/86/599633586.db2.gz WNGINFUMVRZSOO-UHFFFAOYSA-N -1 3 359.377 3.357 20 0 FGADHM CSCCCCC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821962761 599633587 /nfs/dbraw/zinc/63/35/87/599633587.db2.gz WNGINFUMVRZSOO-UHFFFAOYSA-N -1 3 359.377 3.357 20 0 FGADHM CCc1ncc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)s1 ZINC000821518248 599633694 /nfs/dbraw/zinc/63/36/94/599633694.db2.gz SCSDFIZBHWYTBK-UHFFFAOYSA-N -1 3 368.344 3.157 20 0 FGADHM CCc1ncc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)s1 ZINC000821518248 599633695 /nfs/dbraw/zinc/63/36/95/599633695.db2.gz SCSDFIZBHWYTBK-UHFFFAOYSA-N -1 3 368.344 3.157 20 0 FGADHM Cc1nc(C)c(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)s1 ZINC000822427405 599634787 /nfs/dbraw/zinc/63/47/87/599634787.db2.gz MLNKQXSKOGEGGM-UHFFFAOYSA-N -1 3 368.344 3.211 20 0 FGADHM Cc1nc(C)c(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)s1 ZINC000822427405 599634788 /nfs/dbraw/zinc/63/47/88/599634788.db2.gz MLNKQXSKOGEGGM-UHFFFAOYSA-N -1 3 368.344 3.211 20 0 FGADHM C[C@H]1CCc2ccccc2N1Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000820733035 599635570 /nfs/dbraw/zinc/63/55/70/599635570.db2.gz CHYNVJZECYPSOF-ZDUSSCGKSA-N -1 3 373.420 3.258 20 0 FGADHM C[C@H]1CCc2ccccc2N1Cc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000820733035 599635571 /nfs/dbraw/zinc/63/55/71/599635571.db2.gz CHYNVJZECYPSOF-ZDUSSCGKSA-N -1 3 373.420 3.258 20 0 FGADHM COCc1nc(CN(CC(C)C)c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000821696145 599636550 /nfs/dbraw/zinc/63/65/50/599636550.db2.gz YJOMUBWFCGVZQX-UHFFFAOYSA-N -1 3 358.471 3.132 20 0 FGADHM CC(C)C[C@@H]1CCN(C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)C1 ZINC000820067874 599646847 /nfs/dbraw/zinc/64/68/47/599646847.db2.gz NFAIKMRAJMSKPI-ZDUSSCGKSA-N -1 3 359.478 3.323 20 0 FGADHM CC(C)C[C@@H]1CCN(C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)C1 ZINC000820067874 599646848 /nfs/dbraw/zinc/64/68/48/599646848.db2.gz NFAIKMRAJMSKPI-ZDUSSCGKSA-N -1 3 359.478 3.323 20 0 FGADHM CCCC[C@H](CC)C(=O)OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000821040086 599656898 /nfs/dbraw/zinc/65/68/98/599656898.db2.gz IFYGPJFTECSLAV-LBPRGKRZSA-N -1 3 370.413 3.176 20 0 FGADHM CCCC[C@H](CC)C(=O)OCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000821040086 599656899 /nfs/dbraw/zinc/65/68/99/599656899.db2.gz IFYGPJFTECSLAV-LBPRGKRZSA-N -1 3 370.413 3.176 20 0 FGADHM O=C(NCC1CCC(C(F)(F)F)CC1)c1sccc1-c1nn[n-]n1 ZINC000823175463 599657183 /nfs/dbraw/zinc/65/71/83/599657183.db2.gz IZRJVFCYWHYLCL-UHFFFAOYSA-N -1 3 359.377 3.027 20 0 FGADHM O=C(NCC1CCC(C(F)(F)F)CC1)c1sccc1-c1nnn[n-]1 ZINC000823175463 599657182 /nfs/dbraw/zinc/65/71/82/599657182.db2.gz IZRJVFCYWHYLCL-UHFFFAOYSA-N -1 3 359.377 3.027 20 0 FGADHM CC(C)CCc1nc(COC(=O)c2sccc2-c2nnn[n-]2)cs1 ZINC000820081419 599658586 /nfs/dbraw/zinc/65/85/86/599658586.db2.gz FNKOYGQFDONRHV-UHFFFAOYSA-N -1 3 363.468 3.330 20 0 FGADHM CCC[C@H]1[C@H](C)CCCN1C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000821033621 599673908 /nfs/dbraw/zinc/67/39/08/599673908.db2.gz CNQBZIBJCWYMDG-WBMJQRKESA-N -1 3 360.437 3.116 20 0 FGADHM CCC[C@H]1[C@H](C)CCCN1C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000821033621 599673909 /nfs/dbraw/zinc/67/39/09/599673909.db2.gz CNQBZIBJCWYMDG-WBMJQRKESA-N -1 3 360.437 3.116 20 0 FGADHM CCC1CCC(N(C)C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)CC1 ZINC000820972130 599678561 /nfs/dbraw/zinc/67/85/61/599678561.db2.gz LJAHQWPANANKBA-UHFFFAOYSA-N -1 3 360.437 3.116 20 0 FGADHM CCC1CCC(N(C)C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)CC1 ZINC000820972130 599678562 /nfs/dbraw/zinc/67/85/62/599678562.db2.gz LJAHQWPANANKBA-UHFFFAOYSA-N -1 3 360.437 3.116 20 0 FGADHM CO[C@@]1(C)C[C@H](Nc2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)C1(C)C ZINC000821678006 599688488 /nfs/dbraw/zinc/68/84/88/599688488.db2.gz IAFYHLWLBFSQQM-UGSOOPFHSA-N -1 3 374.395 3.309 20 0 FGADHM CO[C@@]1(C)C[C@H](Nc2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)C1(C)C ZINC000821678006 599688489 /nfs/dbraw/zinc/68/84/89/599688489.db2.gz IAFYHLWLBFSQQM-UGSOOPFHSA-N -1 3 374.395 3.309 20 0 FGADHM CC[C@H]1C[C@@H](C)CN1C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000820967198 599692475 /nfs/dbraw/zinc/69/24/75/599692475.db2.gz LMGHSEJSKOGQMP-KOLCDFICSA-N -1 3 366.372 3.120 20 0 FGADHM CC[C@H]1C[C@@H](C)CN1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000820967198 599692476 /nfs/dbraw/zinc/69/24/76/599692476.db2.gz LMGHSEJSKOGQMP-KOLCDFICSA-N -1 3 366.372 3.120 20 0 FGADHM CCCC[C@H](C(=O)[O-])N1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000736978943 599706744 /nfs/dbraw/zinc/70/67/44/599706744.db2.gz LUTFNMJQKCBNMX-OAHLLOKOSA-N -1 3 372.387 3.107 20 0 FGADHM C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)c2ccccc2NC(=O)[O-])C1 ZINC000736724756 599709095 /nfs/dbraw/zinc/70/90/95/599709095.db2.gz OXXBDOLFFFJFEZ-GOEBONIOSA-N -1 3 353.422 3.342 20 0 FGADHM Cc1ccsc1[C@H]1C[C@@H]1C(=O)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000826316316 607391428 /nfs/dbraw/zinc/39/14/28/607391428.db2.gz KHIITPRSMRPQTI-KBPBESRZSA-N -1 3 358.398 3.223 20 0 FGADHM Cc1ccsc1[C@H]1C[C@@H]1C(=O)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000826316316 607391430 /nfs/dbraw/zinc/39/14/30/607391430.db2.gz KHIITPRSMRPQTI-KBPBESRZSA-N -1 3 358.398 3.223 20 0 FGADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)c1ccc(C(C)C)nc1 ZINC000821699246 607392455 /nfs/dbraw/zinc/39/24/55/607392455.db2.gz HZEUJPQIQOQMKJ-UHFFFAOYSA-N -1 3 373.800 3.266 20 0 FGADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)c1ccc(C(C)C)nc1 ZINC000821699246 607392457 /nfs/dbraw/zinc/39/24/57/607392457.db2.gz HZEUJPQIQOQMKJ-UHFFFAOYSA-N -1 3 373.800 3.266 20 0 FGADHM CCN(C(=O)C=Cc1cncc(C)c1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821149294 607393752 /nfs/dbraw/zinc/39/37/52/607393752.db2.gz UYSDRKZUWUBXLX-WSVPDTOYSA-N -1 3 362.437 3.193 20 0 FGADHM CCN(C(=O)C=Cc1cncc(C)c1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821149294 607393754 /nfs/dbraw/zinc/39/37/54/607393754.db2.gz UYSDRKZUWUBXLX-WSVPDTOYSA-N -1 3 362.437 3.193 20 0 FGADHM CN(C[C@@H]1CCN(Cc2ccc(F)cc2C(=O)[O-])C1)C(=O)OC(C)(C)C ZINC000737413300 599793149 /nfs/dbraw/zinc/79/31/49/599793149.db2.gz KRKIBJDCRHUWRC-ZDUSSCGKSA-N -1 3 366.433 3.213 20 0 FGADHM Cc1c(F)cccc1NC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826241190 607394888 /nfs/dbraw/zinc/39/48/88/607394888.db2.gz URKQVUJWZNAXIP-UHFFFAOYSA-N -1 3 352.373 3.125 20 0 FGADHM Cc1c(F)cccc1NC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826241190 607394890 /nfs/dbraw/zinc/39/48/90/607394890.db2.gz URKQVUJWZNAXIP-UHFFFAOYSA-N -1 3 352.373 3.125 20 0 FGADHM O=C(Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)[C@@H]1CCCCO1 ZINC000823350440 607396211 /nfs/dbraw/zinc/39/62/11/607396211.db2.gz NEAMHQFCFWAZAO-KRWDZBQOSA-N -1 3 365.393 3.167 20 0 FGADHM O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)[C@@H]1CCCCO1 ZINC000823350440 607396213 /nfs/dbraw/zinc/39/62/13/607396213.db2.gz NEAMHQFCFWAZAO-KRWDZBQOSA-N -1 3 365.393 3.167 20 0 FGADHM CC(C)Oc1ccc(NC(=O)c2cnc(C3CC3)s2)cc1-c1nnn[n-]1 ZINC000820173948 607399181 /nfs/dbraw/zinc/39/91/81/607399181.db2.gz NTEDFOYUVIMDAP-UHFFFAOYSA-N -1 3 370.438 3.240 20 0 FGADHM CC(C)Oc1ccc(NC(=O)c2cnc(C3CC3)s2)cc1-c1nn[n-]n1 ZINC000820173948 607399182 /nfs/dbraw/zinc/39/91/82/607399182.db2.gz NTEDFOYUVIMDAP-UHFFFAOYSA-N -1 3 370.438 3.240 20 0 FGADHM Cc1ccccc1CC(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000822356721 607399646 /nfs/dbraw/zinc/39/96/46/607399646.db2.gz YQTPPBQQLJMYRZ-UHFFFAOYSA-N -1 3 351.410 3.144 20 0 FGADHM Cc1ccccc1CC(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000822356721 607399648 /nfs/dbraw/zinc/39/96/48/607399648.db2.gz YQTPPBQQLJMYRZ-UHFFFAOYSA-N -1 3 351.410 3.144 20 0 FGADHM Cc1ccc(C(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)cc1F ZINC000822227228 607401450 /nfs/dbraw/zinc/40/14/50/607401450.db2.gz ADHMRKKJZXOAIX-UHFFFAOYSA-N -1 3 355.373 3.354 20 0 FGADHM Cc1ccc(C(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)cc1F ZINC000822227228 607401451 /nfs/dbraw/zinc/40/14/51/607401451.db2.gz ADHMRKKJZXOAIX-UHFFFAOYSA-N -1 3 355.373 3.354 20 0 FGADHM CC[C@H](OC1CCCC1)C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000820938237 607402862 /nfs/dbraw/zinc/40/28/62/607402862.db2.gz HPDZWJAUYLKUJD-INIZCTEOSA-N -1 3 373.457 3.330 20 0 FGADHM CC[C@H](OC1CCCC1)C(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000820938237 607402863 /nfs/dbraw/zinc/40/28/63/607402863.db2.gz HPDZWJAUYLKUJD-INIZCTEOSA-N -1 3 373.457 3.330 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)[C@@H]1CCCc2sccc21 ZINC000826252999 607406559 /nfs/dbraw/zinc/40/65/59/607406559.db2.gz BNHDVTMNXREIFU-OAHLLOKOSA-N -1 3 354.435 3.400 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)[C@@H]1CCCc2sccc21 ZINC000826252999 607406561 /nfs/dbraw/zinc/40/65/61/607406561.db2.gz BNHDVTMNXREIFU-OAHLLOKOSA-N -1 3 354.435 3.400 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)[C@H]1CCCc2sccc21 ZINC000826252998 607406565 /nfs/dbraw/zinc/40/65/65/607406565.db2.gz BNHDVTMNXREIFU-HNNXBMFYSA-N -1 3 354.435 3.400 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)[C@H]1CCCc2sccc21 ZINC000826252998 607406567 /nfs/dbraw/zinc/40/65/67/607406567.db2.gz BNHDVTMNXREIFU-HNNXBMFYSA-N -1 3 354.435 3.400 20 0 FGADHM O=C(CCSc1ccccc1)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826408143 607414677 /nfs/dbraw/zinc/41/46/77/607414677.db2.gz RHUBJLQDVYNTOJ-UHFFFAOYSA-N -1 3 365.462 3.154 20 0 FGADHM O=C(CCSc1ccccc1)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826408143 607414679 /nfs/dbraw/zinc/41/46/79/607414679.db2.gz RHUBJLQDVYNTOJ-UHFFFAOYSA-N -1 3 365.462 3.154 20 0 FGADHM CCC[C@@H](NCC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-])c1ccccc1 ZINC000736971845 600077413 /nfs/dbraw/zinc/07/74/13/600077413.db2.gz DNAYRRCMWKBGDZ-WOJBJXKFSA-N -1 3 366.461 3.156 20 0 FGADHM CN(CC1CCN(Cc2occc2C(=O)[O-])CC1)C(=O)OC(C)(C)C ZINC000737413158 600104586 /nfs/dbraw/zinc/10/45/86/600104586.db2.gz HIFKBJRFYHBWFX-UHFFFAOYSA-N -1 3 352.431 3.057 20 0 FGADHM O=C(CCn1ccc2ccccc21)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826409636 607426054 /nfs/dbraw/zinc/42/60/54/607426054.db2.gz IKWZZXIGJKYXEF-UHFFFAOYSA-N -1 3 372.432 3.017 20 0 FGADHM O=C(CCn1ccc2ccccc21)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826409636 607426055 /nfs/dbraw/zinc/42/60/55/607426055.db2.gz IKWZZXIGJKYXEF-UHFFFAOYSA-N -1 3 372.432 3.017 20 0 FGADHM O=C(NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1cccc(-n2cccc2)c1 ZINC000826428115 607426373 /nfs/dbraw/zinc/42/63/73/607426373.db2.gz PDHWPTBYAMWHNW-UHFFFAOYSA-N -1 3 370.416 3.077 20 0 FGADHM O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1cccc(-n2cccc2)c1 ZINC000826428115 607426375 /nfs/dbraw/zinc/42/63/75/607426375.db2.gz PDHWPTBYAMWHNW-UHFFFAOYSA-N -1 3 370.416 3.077 20 0 FGADHM O=C(NC1(c2cccc(-c3nnn[n-]3)c2)CC1)[C@H]1C[C@@H]1C1CCCCC1 ZINC000826427842 607426480 /nfs/dbraw/zinc/42/64/80/607426480.db2.gz COVJFQOYBDRQCQ-SJORKVTESA-N -1 3 351.454 3.188 20 0 FGADHM O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)[C@H]1C[C@@H]1C1CCCCC1 ZINC000826427842 607426482 /nfs/dbraw/zinc/42/64/82/607426482.db2.gz COVJFQOYBDRQCQ-SJORKVTESA-N -1 3 351.454 3.188 20 0 FGADHM Cc1cccc2cc(C(=O)NC3(c4cccc(-c5nnn[n-]5)c4)CC3)oc21 ZINC000826305157 607427428 /nfs/dbraw/zinc/42/74/28/607427428.db2.gz MYPRQGOIVLACFF-UHFFFAOYSA-N -1 3 359.389 3.340 20 0 FGADHM Cc1cccc2cc(C(=O)NC3(c4cccc(-c5nn[n-]n5)c4)CC3)oc21 ZINC000826305157 607427430 /nfs/dbraw/zinc/42/74/30/607427430.db2.gz MYPRQGOIVLACFF-UHFFFAOYSA-N -1 3 359.389 3.340 20 0 FGADHM CC(C)N(CCC(=O)[O-])CC(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000736641910 600223716 /nfs/dbraw/zinc/22/37/16/600223716.db2.gz VCKSLQKVBVWPKK-NSHDSACASA-N -1 3 361.269 3.356 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCCc2cc(F)cc(F)c21 ZINC000826245193 607430860 /nfs/dbraw/zinc/43/08/60/607430860.db2.gz QHNWNXJLZSBZGR-UHFFFAOYSA-N -1 3 355.348 3.046 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCCc2cc(F)cc(F)c21 ZINC000826245193 607430862 /nfs/dbraw/zinc/43/08/62/607430862.db2.gz QHNWNXJLZSBZGR-UHFFFAOYSA-N -1 3 355.348 3.046 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@@H](c1ccco1)c1ccccc1 ZINC000826246651 607431103 /nfs/dbraw/zinc/43/11/03/607431103.db2.gz INIYBVINELCUJT-GOSISDBHSA-N -1 3 359.389 3.288 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@@H](c1ccco1)c1ccccc1 ZINC000826246651 607431104 /nfs/dbraw/zinc/43/11/04/607431104.db2.gz INIYBVINELCUJT-GOSISDBHSA-N -1 3 359.389 3.288 20 0 FGADHM Cc1ccsc1CCCC(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000826316054 607432168 /nfs/dbraw/zinc/43/21/68/607432168.db2.gz BPTJCOMRGNHUTR-UHFFFAOYSA-N -1 3 359.430 3.361 20 0 FGADHM Cc1ccsc1CCCC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000826316054 607432170 /nfs/dbraw/zinc/43/21/70/607432170.db2.gz BPTJCOMRGNHUTR-UHFFFAOYSA-N -1 3 359.430 3.361 20 0 FGADHM CN(C)CCN(Cc1ccccc1)C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000737368930 600349495 /nfs/dbraw/zinc/34/94/95/600349495.db2.gz BQQCYHHPAFWNFE-UHFFFAOYSA-N -1 3 370.453 3.050 20 0 FGADHM O=C([O-])c1ccc(NC(=O)N2CCN(CC3CCCCC3)CC2)c(F)c1 ZINC000740146936 600403112 /nfs/dbraw/zinc/40/31/12/600403112.db2.gz JYNAJMPFQOBZOB-UHFFFAOYSA-N -1 3 363.433 3.254 20 0 FGADHM Cc1oc(CN(C)CCC(=O)Nc2ccc(Cl)cc2)cc1C(=O)[O-] ZINC000738967488 600429415 /nfs/dbraw/zinc/42/94/15/600429415.db2.gz UXCORQKCMUQXKH-UHFFFAOYSA-N -1 3 350.802 3.400 20 0 FGADHM C[C@H](N[C@H](C(=O)[O-])c1cccc(Cl)c1)c1ccc2c(c1)CC(=O)N2C ZINC000736663414 600434105 /nfs/dbraw/zinc/43/41/05/600434105.db2.gz YQJOISZJVSSVLN-VOJFVSQTSA-N -1 3 358.825 3.335 20 0 FGADHM CC[C@H]1CCCC[C@H]1NC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000825195175 607453697 /nfs/dbraw/zinc/45/36/97/607453697.db2.gz UZISSNFLOQLKPS-XJKSGUPXSA-N -1 3 354.458 3.124 20 0 FGADHM CC[C@H]1CCCC[C@H]1NC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000825195175 607453698 /nfs/dbraw/zinc/45/36/98/607453698.db2.gz UZISSNFLOQLKPS-XJKSGUPXSA-N -1 3 354.458 3.124 20 0 FGADHM Cc1ccc2c(c1)CC[C@@H]2NC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826294138 607453756 /nfs/dbraw/zinc/45/37/56/607453756.db2.gz JWZHNHGZCNHKIW-SFHVURJKSA-N -1 3 374.448 3.151 20 0 FGADHM Cc1ccc2c(c1)CC[C@@H]2NC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826294138 607453757 /nfs/dbraw/zinc/45/37/57/607453757.db2.gz JWZHNHGZCNHKIW-SFHVURJKSA-N -1 3 374.448 3.151 20 0 FGADHM O=C(NCc1ccc(Cl)s1)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826442109 607454526 /nfs/dbraw/zinc/45/45/26/607454526.db2.gz JGBWXFBHZKUFKM-UHFFFAOYSA-N -1 3 374.857 3.070 20 0 FGADHM O=C(NCc1ccc(Cl)s1)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826442109 607454527 /nfs/dbraw/zinc/45/45/27/607454527.db2.gz JGBWXFBHZKUFKM-UHFFFAOYSA-N -1 3 374.857 3.070 20 0 FGADHM CC(C)[C@@H]1CCC[C@@H](NC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)C1 ZINC000824216232 607455308 /nfs/dbraw/zinc/45/53/08/607455308.db2.gz PHPLYPAZLKRPCZ-RHSMWYFYSA-N -1 3 368.485 3.370 20 0 FGADHM CC(C)[C@@H]1CCC[C@@H](NC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)C1 ZINC000824216232 607455311 /nfs/dbraw/zinc/45/53/11/607455311.db2.gz PHPLYPAZLKRPCZ-RHSMWYFYSA-N -1 3 368.485 3.370 20 0 FGADHM CCN1CCCC[C@H]1C(=O)NC[C@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000737117133 600606201 /nfs/dbraw/zinc/60/62/01/600606201.db2.gz WZZCUVIOWPILBP-PMACEKPBSA-N -1 3 368.477 3.074 20 0 FGADHM CC1(C)CCC(NC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)CC1 ZINC000824802042 607456814 /nfs/dbraw/zinc/45/68/14/607456814.db2.gz KNHOUTLTBFGIHI-UHFFFAOYSA-N -1 3 354.458 3.124 20 0 FGADHM CC1(C)CCC(NC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)CC1 ZINC000824802042 607456815 /nfs/dbraw/zinc/45/68/15/607456815.db2.gz KNHOUTLTBFGIHI-UHFFFAOYSA-N -1 3 354.458 3.124 20 0 FGADHM CN(C(=O)c1ccc(C(=O)[O-])s1)C1CCN(Cc2ccccc2)CC1 ZINC000311129710 600634449 /nfs/dbraw/zinc/63/44/49/600634449.db2.gz QPMGJEOILNCLQS-UHFFFAOYSA-N -1 3 358.463 3.183 20 0 FGADHM O=C([O-])c1cccc(-c2noc([C@@H]3CCCN(Cc4cccnc4)C3)n2)c1 ZINC000833328184 600694718 /nfs/dbraw/zinc/69/47/18/600694718.db2.gz ZWOPLHXECIPUMW-QGZVFWFLSA-N -1 3 364.405 3.209 20 0 FGADHM CC(C)[C@@H](CN[C@@H](C(=O)[O-])c1ccccc1F)NC(=O)OC(C)(C)C ZINC000826688105 600750264 /nfs/dbraw/zinc/75/02/64/600750264.db2.gz VAWMLQHGYNSFCF-HUUCEWRRSA-N -1 3 354.422 3.090 20 0 FGADHM COC(=O)c1cc2cc(CN[C@H](C(=O)[O-])c3ccc(OC)cc3)ccc2o1 ZINC000737679301 600953092 /nfs/dbraw/zinc/95/30/92/600953092.db2.gz WPFKQOGZMRJMSQ-SFHVURJKSA-N -1 3 369.373 3.144 20 0 FGADHM CCCC[C@H](C(=O)[O-])[NH+]1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000829275667 600988444 /nfs/dbraw/zinc/98/84/44/600988444.db2.gz FKHAGACCEWTAQW-OAHLLOKOSA-N -1 3 368.861 3.340 20 0 FGADHM O=C([O-])[C@H](c1ccccc1F)N1CCC(CC(=O)NC2CCCC2)CC1 ZINC000833098024 600992300 /nfs/dbraw/zinc/99/23/00/600992300.db2.gz WDHSNOSQBVTGRO-IBGZPJMESA-N -1 3 362.445 3.112 20 0 FGADHM O=C([O-])C[C@@H]1CSCCN1Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000833220809 601014289 /nfs/dbraw/zinc/01/42/89/601014289.db2.gz AEETULNQPWXJNT-GOSISDBHSA-N -1 3 370.474 3.331 20 0 FGADHM Cc1ccc(NC(=O)N2CCCN(Cc3ccccc3)CC2)cc1C(=O)[O-] ZINC000323904847 601145710 /nfs/dbraw/zinc/14/57/10/601145710.db2.gz ILNMPVRIBRPNHZ-UHFFFAOYSA-N -1 3 367.449 3.433 20 0 FGADHM Cc1ccc(NC(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1C(=O)[O-] ZINC000311506631 601146805 /nfs/dbraw/zinc/14/68/05/601146805.db2.gz GKGXZLXOGFWPNX-KRWDZBQOSA-N -1 3 353.422 3.089 20 0 FGADHM CC(C)N(Cc1ccccc1)C(=O)CN[C@@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000826044272 601202311 /nfs/dbraw/zinc/20/23/11/601202311.db2.gz CZXMWWJBIIYVPY-DYESRHJHSA-N -1 3 368.477 3.475 20 0 FGADHM Fc1cccc(F)c1CN(Cc1ccnc(-c2nnn[n-]2)c1)C1CCCC1 ZINC000826377441 607495918 /nfs/dbraw/zinc/49/59/18/607495918.db2.gz SASICPSVIDZCBH-UHFFFAOYSA-N -1 3 370.407 3.485 20 0 FGADHM Fc1cccc(F)c1CN(Cc1ccnc(-c2nn[n-]n2)c1)C1CCCC1 ZINC000826377441 607495919 /nfs/dbraw/zinc/49/59/19/607495919.db2.gz SASICPSVIDZCBH-UHFFFAOYSA-N -1 3 370.407 3.485 20 0 FGADHM C[C@H](OC(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1c(F)cc(F)cc1F ZINC000820497889 607497855 /nfs/dbraw/zinc/49/78/55/607497855.db2.gz WJGLGGVIYVWIHG-VIFPVBQESA-N -1 3 362.311 3.131 20 0 FGADHM C[C@H](OC(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1c(F)cc(F)cc1F ZINC000820497889 607497857 /nfs/dbraw/zinc/49/78/57/607497857.db2.gz WJGLGGVIYVWIHG-VIFPVBQESA-N -1 3 362.311 3.131 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cnc(C(C)C)s1 ZINC000821413180 607500839 /nfs/dbraw/zinc/50/08/39/607500839.db2.gz XBPZTPKJIMFEOD-UHFFFAOYSA-N -1 3 358.427 3.098 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cnc(C(C)C)s1 ZINC000821413180 607500841 /nfs/dbraw/zinc/50/08/41/607500841.db2.gz XBPZTPKJIMFEOD-UHFFFAOYSA-N -1 3 358.427 3.098 20 0 FGADHM CCc1oc(C(=O)[O-])cc1CN1CCC(C(=O)Nc2ccc(O)cc2)CC1 ZINC000830362514 601414342 /nfs/dbraw/zinc/41/43/42/601414342.db2.gz AYUWELDNHOBDTP-UHFFFAOYSA-N -1 3 372.421 3.097 20 0 FGADHM Cc1ccc(CN[C@@H](C(=O)[O-])c2ccccc2)c(OC[C@H]2CCOC2)c1 ZINC000832933721 601497548 /nfs/dbraw/zinc/49/75/48/601497548.db2.gz ISRRVTPREITXLW-OXJNMPFZSA-N -1 3 355.434 3.326 20 0 FGADHM C[C@@H]1CN(Cc2coc(-c3ccc(Br)cc3)n2)C[C@@H]1C(=O)[O-] ZINC000828464473 601519957 /nfs/dbraw/zinc/51/99/57/601519957.db2.gz VFMDYCZDSZRCRQ-YGRLFVJLSA-N -1 3 365.227 3.257 20 0 FGADHM O=C([O-])c1ccc(CN[C@@H]2CCN(c3ccccc3Br)C2)o1 ZINC000833314457 601560693 /nfs/dbraw/zinc/56/06/93/601560693.db2.gz KTCDJLKZZFMHMJ-LLVKDONJSA-N -1 3 365.227 3.109 20 0 FGADHM Cc1ccccc1C[C@H](C)NC(=O)CN[C@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000832980765 601652861 /nfs/dbraw/zinc/65/28/61/601652861.db2.gz KWBVAEMFRCSIFD-FVJLSDCUSA-N -1 3 368.477 3.094 20 0 FGADHM C[C@@H](C(=O)[O-])[C@H](NCC(=O)NC12CC3CC(CC(C3)C1)C2)c1ccccc1 ZINC000826043962 601654146 /nfs/dbraw/zinc/65/41/46/601654146.db2.gz ADBWUJSNDUEUJE-AUWLCNJOSA-N -1 3 370.493 3.123 20 0 FGADHM CCCCNC(=O)C1(NCc2cc(C(=O)[O-])sc2C)CCCCC1 ZINC000829396598 601659462 /nfs/dbraw/zinc/65/94/62/601659462.db2.gz REQRYZXCZOLBFX-UHFFFAOYSA-N -1 3 352.500 3.464 20 0 FGADHM CN1CCC(N(Cc2ccccc2)C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)CC1 ZINC000830923869 601674505 /nfs/dbraw/zinc/67/45/05/601674505.db2.gz VCCXTZVTKVDNHQ-MSOLQXFVSA-N -1 3 358.482 3.000 20 0 FGADHM C[C@@H]1CCC[C@@H](C(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)C1 ZINC000828232148 601728915 /nfs/dbraw/zinc/72/89/15/601728915.db2.gz BKLOJYPKSZETTG-HGHGUNKESA-N -1 3 358.482 3.048 20 0 FGADHM COc1ccc(CSCCOc2ccccc2F)cc1-c1nnn[n-]1 ZINC000826208202 607532866 /nfs/dbraw/zinc/53/28/66/607532866.db2.gz YEZBWRXLEWHPMG-UHFFFAOYSA-N -1 3 360.414 3.327 20 0 FGADHM COc1ccc(CSCCOc2ccccc2F)cc1-c1nn[n-]n1 ZINC000826208202 607532867 /nfs/dbraw/zinc/53/28/67/607532867.db2.gz YEZBWRXLEWHPMG-UHFFFAOYSA-N -1 3 360.414 3.327 20 0 FGADHM COc1ccc(CS[C@H](C)c2nc(C3CC3)no2)cc1-c1nnn[n-]1 ZINC000826207634 607534630 /nfs/dbraw/zinc/53/46/30/607534630.db2.gz WHISBNQSTYHGLO-SECBINFHSA-N -1 3 358.427 3.130 20 0 FGADHM COc1ccc(CS[C@H](C)c2nc(C3CC3)no2)cc1-c1nn[n-]n1 ZINC000826207634 607534631 /nfs/dbraw/zinc/53/46/31/607534631.db2.gz WHISBNQSTYHGLO-SECBINFHSA-N -1 3 358.427 3.130 20 0 FGADHM O=C([O-])[C@H](NCCNC(=O)c1ccccc1)c1cc(Cl)cc(Cl)c1 ZINC000833139533 601971679 /nfs/dbraw/zinc/97/16/79/601971679.db2.gz CEFCMLPDMXAMJY-OAHLLOKOSA-N -1 3 367.232 3.139 20 0 FGADHM Cc1nn(-c2ccccc2)c(Cl)c1CNC[C@@H]1CCCN(C(=O)[O-])C1 ZINC000740241770 602002704 /nfs/dbraw/zinc/00/27/04/602002704.db2.gz GPBLQFNZCKTACX-AWEZNQCLSA-N -1 3 362.861 3.314 20 0 FGADHM C[C@H]1C[C@H](NC(=O)Nc2ccc(F)c(C(=O)[O-])c2)CN1Cc1ccccc1 ZINC000398214741 602032723 /nfs/dbraw/zinc/03/27/23/602032723.db2.gz UMFLSCABCJLZCO-BBRMVZONSA-N -1 3 371.412 3.308 20 0 FGADHM C[C@H]1C[C@H](NC(=O)Nc2ccc(C(=O)[O-])cc2F)CN1Cc1ccccc1 ZINC000398179204 602038618 /nfs/dbraw/zinc/03/86/18/602038618.db2.gz JUWVXFBQLHYEOW-BBRMVZONSA-N -1 3 371.412 3.308 20 0 FGADHM CCC(C)(C)[C@H]1CCCN1C(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000825039442 607548276 /nfs/dbraw/zinc/54/82/76/607548276.db2.gz RGQMUMJMDHXFJU-XJKSGUPXSA-N -1 3 357.458 3.061 20 0 FGADHM CCC(C)(C)[C@H]1CCCN1C(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000825039442 607548278 /nfs/dbraw/zinc/54/82/78/607548278.db2.gz RGQMUMJMDHXFJU-XJKSGUPXSA-N -1 3 357.458 3.061 20 0 FGADHM CC(C)N1CCCN(C(=O)c2cc3ccccc3cc2NC(=O)[O-])CC1 ZINC000738854002 602180308 /nfs/dbraw/zinc/18/03/08/602180308.db2.gz KRRHBADUCDVUOS-UHFFFAOYSA-N -1 3 355.438 3.486 20 0 FGADHM COc1ccc(OCc2nc(CN[C@H](C(=O)[O-])C(C)(C)C)cs2)cc1 ZINC000756339494 602225537 /nfs/dbraw/zinc/22/55/37/602225537.db2.gz QEJIHKBBMPOODC-MRXNPFEDSA-N -1 3 364.467 3.320 20 0 FGADHM CN(C)C[C@H](NC(=O)Nc1ccc2c(c1)CCN2C(=O)[O-])c1ccccc1 ZINC000739608096 602279831 /nfs/dbraw/zinc/27/98/31/602279831.db2.gz QGIMQVOXVZUCPN-KRWDZBQOSA-N -1 3 368.437 3.152 20 0 FGADHM CC(C)CONC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000824272397 607559084 /nfs/dbraw/zinc/55/90/84/607559084.db2.gz WZXXHCMHYMNPLH-UHFFFAOYSA-N -1 3 368.397 3.368 20 0 FGADHM COc1ccc(CNc2ccnc3ccc(Cl)cc32)cc1-c1nnn[n-]1 ZINC000826203831 607560197 /nfs/dbraw/zinc/56/01/97/607560197.db2.gz IJYJPZLOTJVQLL-UHFFFAOYSA-N -1 3 366.812 3.111 20 0 FGADHM COc1ccc(CNc2ccnc3ccc(Cl)cc32)cc1-c1nn[n-]n1 ZINC000826203831 607560199 /nfs/dbraw/zinc/56/01/99/607560199.db2.gz IJYJPZLOTJVQLL-UHFFFAOYSA-N -1 3 366.812 3.111 20 0 FGADHM CN(C(=O)Nc1ccc(F)c(C(=O)[O-])c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000312958225 602362529 /nfs/dbraw/zinc/36/25/29/602362529.db2.gz JCCGNIPSDBIGGT-INIZCTEOSA-N -1 3 371.412 3.262 20 0 FGADHM CN(C(=O)Nc1ccc(CC(=O)[O-])cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000312480104 602364054 /nfs/dbraw/zinc/36/40/54/602364054.db2.gz IGYUIGLAVIQFFT-LJQANCHMSA-N -1 3 367.449 3.052 20 0 FGADHM CCN(C(=O)c1cc2occc2[nH]1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825381085 607568533 /nfs/dbraw/zinc/56/85/33/607568533.db2.gz ZIUWPOXZOZYDIG-LLVKDONJSA-N -1 3 350.382 3.164 20 0 FGADHM CCN(C(=O)c1cc2occc2[nH]1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825381085 607568536 /nfs/dbraw/zinc/56/85/36/607568536.db2.gz ZIUWPOXZOZYDIG-LLVKDONJSA-N -1 3 350.382 3.164 20 0 FGADHM CC[C@@H](SC)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@H](C)C2 ZINC000825158919 607573478 /nfs/dbraw/zinc/57/34/78/607573478.db2.gz DROXQRLBWAVOOP-WCBMZHEXSA-N -1 3 351.501 3.133 20 0 FGADHM CC[C@@H](SC)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@H](C)C2 ZINC000825158919 607573480 /nfs/dbraw/zinc/57/34/80/607573480.db2.gz DROXQRLBWAVOOP-WCBMZHEXSA-N -1 3 351.501 3.133 20 0 FGADHM Cc1nn(Cc2ccccc2)c(Cl)c1CNCC[C@H](C)NC(=O)[O-] ZINC000740252135 602650760 /nfs/dbraw/zinc/65/07/60/602650760.db2.gz JEPXJIGZQPVPHA-LBPRGKRZSA-N -1 3 350.850 3.029 20 0 FGADHM O=C([O-])N1CCC[C@H](CN2CCC(C(=O)c3cc(F)ccc3F)CC2)C1 ZINC000740728928 602703485 /nfs/dbraw/zinc/70/34/85/602703485.db2.gz IAPGMDLVCJDBGY-CYBMUJFWSA-N -1 3 366.408 3.250 20 0 FGADHM C[C@H]1CN(Cc2ccc(OCc3cccnc3)cc2)CC[C@H]1NC(=O)[O-] ZINC000739190626 602784137 /nfs/dbraw/zinc/78/41/37/602784137.db2.gz OYWIWVLQJXFYRN-HNAYVOBHSA-N -1 3 355.438 3.139 20 0 FGADHM CC[C@@H](C(=O)OCc1ccc(OC)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000825038521 607593569 /nfs/dbraw/zinc/59/35/69/607593569.db2.gz DSPBPCUREVMSDS-OAHLLOKOSA-N -1 3 352.394 3.112 20 0 FGADHM CC[C@@H](C(=O)OCc1ccc(OC)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000825038521 607593570 /nfs/dbraw/zinc/59/35/70/607593570.db2.gz DSPBPCUREVMSDS-OAHLLOKOSA-N -1 3 352.394 3.112 20 0 FGADHM COc1ccc(COC(=O)c2sc(C(C)C)nc2C)cc1-c1nnn[n-]1 ZINC000826206805 607600846 /nfs/dbraw/zinc/60/08/46/607600846.db2.gz LUEZDOZIKRGNAT-UHFFFAOYSA-N -1 3 373.438 3.121 20 0 FGADHM COc1ccc(COC(=O)c2sc(C(C)C)nc2C)cc1-c1nn[n-]n1 ZINC000826206805 607600847 /nfs/dbraw/zinc/60/08/47/607600847.db2.gz LUEZDOZIKRGNAT-UHFFFAOYSA-N -1 3 373.438 3.121 20 0 FGADHM COc1ccc(COC(=O)C=C(C)c2ccc(F)cc2)cc1-c1nnn[n-]1 ZINC000826205073 607603957 /nfs/dbraw/zinc/60/39/57/607603957.db2.gz JDQZESDNSBKDMX-XFXZXTDPSA-N -1 3 368.368 3.161 20 0 FGADHM COc1ccc(COC(=O)C=C(C)c2ccc(F)cc2)cc1-c1nn[n-]n1 ZINC000826205073 607603959 /nfs/dbraw/zinc/60/39/59/607603959.db2.gz JDQZESDNSBKDMX-XFXZXTDPSA-N -1 3 368.368 3.161 20 0 FGADHM COc1cc(CN[C@@H]2CCCCN(C(=O)[O-])C2)c(SC)cc1OC ZINC000739858790 603071443 /nfs/dbraw/zinc/07/14/43/603071443.db2.gz APPHAWRQHJIMHA-CYBMUJFWSA-N -1 3 354.472 3.048 20 0 FGADHM CN(C)Cc1cccc(NC(=O)[C@H](NC(=O)[O-])c2cccc(Cl)c2)c1 ZINC000739614838 603275525 /nfs/dbraw/zinc/27/55/25/603275525.db2.gz KRKKOGRRWHADCU-MRXNPFEDSA-N -1 3 361.829 3.349 20 0 FGADHM CC[C@@H](C)N(Cc1nc2ccccc2c(=O)[nH]1)CC1CCN(C(=O)[O-])CC1 ZINC000739243297 603345900 /nfs/dbraw/zinc/34/59/00/603345900.db2.gz GARHJLROLSAOKC-CQSZACIVSA-N -1 3 372.469 3.326 20 0 FGADHM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)NC[C@H](c2ccccc2)N(C)C)cc1 ZINC000825433354 603378674 /nfs/dbraw/zinc/37/86/74/603378674.db2.gz BECMNIFRKYXZCN-RDTXWAMCSA-N -1 3 370.453 3.440 20 0 FGADHM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)N(CCN(C)C)Cc2ccco2)cc1 ZINC000825423924 603473906 /nfs/dbraw/zinc/47/39/06/603473906.db2.gz WYCAQCSESZGONY-CQSZACIVSA-N -1 3 374.441 3.204 20 0 FGADHM Cc1cccc(NC(=S)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)c1 ZINC000826299585 607648618 /nfs/dbraw/zinc/64/86/18/607648618.db2.gz LWBALRWMUMIGRW-UHFFFAOYSA-N -1 3 350.451 3.151 20 0 FGADHM Cc1cccc(NC(=S)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)c1 ZINC000826299585 607648619 /nfs/dbraw/zinc/64/86/19/607648619.db2.gz LWBALRWMUMIGRW-UHFFFAOYSA-N -1 3 350.451 3.151 20 0 FGADHM S=C(Nc1ccc(Cl)cc1)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826512312 607648845 /nfs/dbraw/zinc/64/88/45/607648845.db2.gz WOENNRCWGQKKDO-UHFFFAOYSA-N -1 3 370.869 3.496 20 0 FGADHM S=C(Nc1ccc(Cl)cc1)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826512312 607648847 /nfs/dbraw/zinc/64/88/47/607648847.db2.gz WOENNRCWGQKKDO-UHFFFAOYSA-N -1 3 370.869 3.496 20 0 FGADHM CCC(CC)c1nnc(NC(=O)c2ccc(-c3nnn[n-]3)cc2C)s1 ZINC000825115256 607668439 /nfs/dbraw/zinc/66/84/39/607668439.db2.gz VWINWFYUZUCGFE-UHFFFAOYSA-N -1 3 357.443 3.183 20 0 FGADHM CCC(CC)c1nnc(NC(=O)c2ccc(-c3nn[n-]n3)cc2C)s1 ZINC000825115256 607668441 /nfs/dbraw/zinc/66/84/41/607668441.db2.gz VWINWFYUZUCGFE-UHFFFAOYSA-N -1 3 357.443 3.183 20 0 FGADHM Cc1ccc(CN(C)C)cc1NC(=O)CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000830309156 604084919 /nfs/dbraw/zinc/08/49/19/604084919.db2.gz YECRAAMLLUOEDZ-ALOPSCKCSA-N -1 3 359.470 3.306 20 0 FGADHM CCOc1cccc([C@@H](C)NC(=O)c2ccc(-c3nnn[n-]3)cc2C)c1 ZINC000825649759 607675052 /nfs/dbraw/zinc/67/50/52/607675052.db2.gz XFWTUYOMCJOSOB-CYBMUJFWSA-N -1 3 351.410 3.065 20 0 FGADHM CCOc1cccc([C@@H](C)NC(=O)c2ccc(-c3nn[n-]n3)cc2C)c1 ZINC000825649759 607675053 /nfs/dbraw/zinc/67/50/53/607675053.db2.gz XFWTUYOMCJOSOB-CYBMUJFWSA-N -1 3 351.410 3.065 20 0 FGADHM Cc1cc([C@@H](C)N2CCC(C(=O)Nc3ccc(C)cn3)CC2)oc1C(=O)[O-] ZINC000832942208 604385324 /nfs/dbraw/zinc/38/53/24/604385324.db2.gz WAZRMLINEQJPDH-CQSZACIVSA-N -1 3 371.437 3.401 20 0 FGADHM Cc1ccc(CN(C)C)cc1NC(=O)C[C@@H](C)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000830307239 604391488 /nfs/dbraw/zinc/39/14/88/604391488.db2.gz AGRSVUXQQWXPFC-NVXWUHKLSA-N -1 3 361.486 3.411 20 0 FGADHM C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000824772167 607693302 /nfs/dbraw/zinc/69/33/02/607693302.db2.gz UQJBZHYTEBVKBY-SECBINFHSA-N -1 3 364.331 3.047 20 0 FGADHM C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000824772167 607693303 /nfs/dbraw/zinc/69/33/03/607693303.db2.gz UQJBZHYTEBVKBY-SECBINFHSA-N -1 3 364.331 3.047 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NC[C@H](C)Sc1ccccc1 ZINC000826247791 607697041 /nfs/dbraw/zinc/69/70/41/607697041.db2.gz OFIQGDURDQFJGC-ZDUSSCGKSA-N -1 3 353.451 3.086 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NC[C@H](C)Sc1ccccc1 ZINC000826247791 607697042 /nfs/dbraw/zinc/69/70/42/607697042.db2.gz OFIQGDURDQFJGC-ZDUSSCGKSA-N -1 3 353.451 3.086 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CC[C@@H](C)C[C@H]1c1ccco1 ZINC000826244020 607698221 /nfs/dbraw/zinc/69/82/21/607698221.db2.gz DXGJGXFSRVFATG-WBMJQRKESA-N -1 3 351.410 3.382 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CC[C@@H](C)C[C@H]1c1ccco1 ZINC000826244020 607698223 /nfs/dbraw/zinc/69/82/23/607698223.db2.gz DXGJGXFSRVFATG-WBMJQRKESA-N -1 3 351.410 3.382 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CC[C@H](C)C[C@H]1c1ccco1 ZINC000826244018 607698363 /nfs/dbraw/zinc/69/83/63/607698363.db2.gz DXGJGXFSRVFATG-LRDDRELGSA-N -1 3 351.410 3.382 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CC[C@H](C)C[C@H]1c1ccco1 ZINC000826244018 607698364 /nfs/dbraw/zinc/69/83/64/607698364.db2.gz DXGJGXFSRVFATG-LRDDRELGSA-N -1 3 351.410 3.382 20 0 FGADHM CC(C)CSCCCOC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000824274060 607706560 /nfs/dbraw/zinc/70/65/60/607706560.db2.gz CNWJZKKPIFSCDY-UHFFFAOYSA-N -1 3 366.512 3.281 20 0 FGADHM CC(C)CSCCCOC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000824274060 607706562 /nfs/dbraw/zinc/70/65/62/607706562.db2.gz CNWJZKKPIFSCDY-UHFFFAOYSA-N -1 3 366.512 3.281 20 0 FGADHM CCn1nc(C)c([C@H](C)NC[C@H](NC(=O)[O-])c2ccccc2OC)c1C ZINC000827716569 604759047 /nfs/dbraw/zinc/75/90/47/604759047.db2.gz BPRHSALIWLYSJU-LRDDRELGSA-N -1 3 360.458 3.188 20 0 FGADHM CCN(CC)[C@@H](CNC(=O)c1ccc(C(=O)[O-])c(F)c1)c1ccsc1 ZINC000829666848 604810507 /nfs/dbraw/zinc/81/05/07/604810507.db2.gz UJCFYLCJBUBVKY-INIZCTEOSA-N -1 3 364.442 3.398 20 0 FGADHM O=C(Nc1cccc(Cl)c1SC(F)F)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826456695 607721298 /nfs/dbraw/zinc/72/12/98/607721298.db2.gz SIOALQCVENGVOE-UHFFFAOYSA-N -1 3 370.772 3.415 20 0 FGADHM O=C(Nc1cccc(Cl)c1SC(F)F)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826456695 607721300 /nfs/dbraw/zinc/72/13/00/607721300.db2.gz SIOALQCVENGVOE-UHFFFAOYSA-N -1 3 370.772 3.415 20 0 FGADHM Cc1c([C@H](C)N[C@H](C)[C@@H]2CCCN(C(=O)[O-])C2)nnn1-c1ccccc1 ZINC000829859666 604939186 /nfs/dbraw/zinc/93/91/86/604939186.db2.gz PQWYDXCNAMPCNM-IJEWVQPXSA-N -1 3 357.458 3.005 20 0 FGADHM C[C@@H]1[C@H](c2ccccc2)c2ccccc2CCN1Cn1cc(C(=O)[O-])nn1 ZINC000828151620 604975194 /nfs/dbraw/zinc/97/51/94/604975194.db2.gz XEKNYLLXWSJKQO-FOIQADDNSA-N -1 3 362.433 3.013 20 0 FGADHM COc1ccc([C@@H](C)N[C@@H](C(=O)[O-])c2cccnc2)cc1Br ZINC000832226906 604987236 /nfs/dbraw/zinc/98/72/36/604987236.db2.gz SPTHNXKYACKCQW-MEBBXXQBSA-N -1 3 365.227 3.329 20 0 FGADHM CN(C)Cc1cccc(NC(=O)N[C@@H](CCC(=O)[O-])Cc2ccccc2)c1 ZINC000833689660 605029985 /nfs/dbraw/zinc/02/99/85/605029985.db2.gz NOJPNSXOWWBPNF-IBGZPJMESA-N -1 3 369.465 3.346 20 0 FGADHM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000833546485 605037291 /nfs/dbraw/zinc/03/72/91/605037291.db2.gz HFEKLZOTWWRIDE-UONOGXRCSA-N -1 3 358.442 3.236 20 0 FGADHM CCc1ccc(-c2csc(NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)n2)cc1 ZINC000825700849 607731019 /nfs/dbraw/zinc/73/10/19/607731019.db2.gz WDVMXDFTSPSSJV-UHFFFAOYSA-N -1 3 365.422 3.133 20 0 FGADHM CCc1ccc(-c2csc(NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)n2)cc1 ZINC000825700849 607731021 /nfs/dbraw/zinc/73/10/21/607731021.db2.gz WDVMXDFTSPSSJV-UHFFFAOYSA-N -1 3 365.422 3.133 20 0 FGADHM CS[C@H](C)CNc1cc(C)c(-c2nnn[n-]2)c2nc3ccccc3n21 ZINC000826225555 607733527 /nfs/dbraw/zinc/73/35/27/607733527.db2.gz FBQRQNMCQUGFTM-LLVKDONJSA-N -1 3 353.455 3.139 20 0 FGADHM CS[C@H](C)CNc1cc(C)c(-c2nn[n-]n2)c2nc3ccccc3n21 ZINC000826225555 607733528 /nfs/dbraw/zinc/73/35/28/607733528.db2.gz FBQRQNMCQUGFTM-LLVKDONJSA-N -1 3 353.455 3.139 20 0 FGADHM O[C@H](c1ccccc1)C1(CNc2c(Cl)cccc2-c2nnn[n-]2)CC1 ZINC000826505091 607735537 /nfs/dbraw/zinc/73/55/37/607735537.db2.gz MDLSAFNJANGDMN-MRXNPFEDSA-N -1 3 355.829 3.446 20 0 FGADHM O[C@H](c1ccccc1)C1(CNc2c(Cl)cccc2-c2nn[n-]n2)CC1 ZINC000826505091 607735538 /nfs/dbraw/zinc/73/55/38/607735538.db2.gz MDLSAFNJANGDMN-MRXNPFEDSA-N -1 3 355.829 3.446 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1N1CC[C@H](Oc2ccccc2Cl)C1 ZINC000826372194 607736956 /nfs/dbraw/zinc/73/69/56/607736956.db2.gz LXHNRBPNKCXIKW-LBPRGKRZSA-N -1 3 359.792 3.317 20 0 FGADHM CC(C)(C(=O)[O-])[C@H](NCC(=O)NCc1ccc(Cl)cc1)c1ccccc1 ZINC000833411769 605175144 /nfs/dbraw/zinc/17/51/44/605175144.db2.gz DZQVOMYKIVNOSE-GOSISDBHSA-N -1 3 374.868 3.398 20 0 FGADHM CC(C)(C(=O)[O-])[C@H](NCC(=O)Nc1ccc(F)c(F)c1)c1ccccc1 ZINC000833416158 605178594 /nfs/dbraw/zinc/17/85/94/605178594.db2.gz ZOWARWRGBSQGMP-QGZVFWFLSA-N -1 3 362.376 3.345 20 0 FGADHM O=C([O-])Nc1cccc(CN2CCC(NC(=O)NC3CCCCC3)CC2)c1 ZINC000834269190 605603426 /nfs/dbraw/zinc/60/34/26/605603426.db2.gz RVTIJEQWVGVQEA-UHFFFAOYSA-N -1 3 374.485 3.373 20 0 FGADHM O=C(N[C@@H](CC1CCCC1)c1ccccc1)c1ccc(-c2nnn[n-]2)cn1 ZINC000826426291 607768062 /nfs/dbraw/zinc/76/80/62/607768062.db2.gz KGXRGAIEVIIRFG-SFHVURJKSA-N -1 3 362.437 3.313 20 0 FGADHM O=C(N[C@@H](CC1CCCC1)c1ccccc1)c1ccc(-c2nn[n-]n2)cn1 ZINC000826426291 607768063 /nfs/dbraw/zinc/76/80/63/607768063.db2.gz KGXRGAIEVIIRFG-SFHVURJKSA-N -1 3 362.437 3.313 20 0 FGADHM O=C(CCc1ccoc1)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000826409146 607770968 /nfs/dbraw/zinc/77/09/68/607770968.db2.gz KHMMHFLZSAYYNA-UHFFFAOYSA-N -1 3 366.406 3.155 20 0 FGADHM O=C(CCc1ccoc1)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826409146 607770969 /nfs/dbraw/zinc/77/09/69/607770969.db2.gz KHMMHFLZSAYYNA-UHFFFAOYSA-N -1 3 366.406 3.155 20 0 FGADHM O=C(c1ccc(-c2nnn[n-]2)[nH]1)N1CCCC[C@H]1CCCc1ccccc1 ZINC000826471501 607771833 /nfs/dbraw/zinc/77/18/33/607771833.db2.gz BOJFTGLXZAGABH-INIZCTEOSA-N -1 3 364.453 3.212 20 0 FGADHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1CCCC[C@H]1CCCc1ccccc1 ZINC000826471501 607771834 /nfs/dbraw/zinc/77/18/34/607771834.db2.gz BOJFTGLXZAGABH-INIZCTEOSA-N -1 3 364.453 3.212 20 0 FGADHM O=C([O-])N[C@H]1C[C@H](NCc2ccc(N3CCCC3)nc2)c2ccccc21 ZINC000834157781 605791839 /nfs/dbraw/zinc/79/18/39/605791839.db2.gz KCUVVFGRQPYGCN-ROUUACIJSA-N -1 3 352.438 3.225 20 0 FGADHM O=C([O-])Cc1ccc(OC(=O)[C@H]2CCCN(Cc3ccccc3)C2)c(F)c1 ZINC000833776818 605796747 /nfs/dbraw/zinc/79/67/47/605796747.db2.gz SOJDUIVDGJRNCR-KRWDZBQOSA-N -1 3 371.408 3.270 20 0 FGADHM O=C([O-])N[C@@H]1C[C@H](NCCNC(=O)c2ccccc2Cl)c2ccccc21 ZINC000834157884 605799996 /nfs/dbraw/zinc/79/99/96/605799996.db2.gz JAQTXZLRHFDVMB-DLBZAZTESA-N -1 3 373.840 3.113 20 0 FGADHM O=C([O-])N1CCC2(CCN(Cc3cnc(-c4ccccc4)nc3)C2)CC1 ZINC000834092114 605897382 /nfs/dbraw/zinc/89/73/82/605897382.db2.gz QBINNIHHYQFZSP-UHFFFAOYSA-N -1 3 352.438 3.110 20 0 FGADHM CC[C@@H]1CN(c2nnc(C)c(C)c2-c2nnn[n-]2)CC[C@H]1c1ccccc1 ZINC000820994111 606039219 /nfs/dbraw/zinc/03/92/19/606039219.db2.gz DTKUVUNVHDBQJB-NVXWUHKLSA-N -1 3 363.469 3.294 20 0 FGADHM CC[C@@H]1CN(c2nnc(C)c(C)c2-c2nn[n-]n2)CC[C@H]1c1ccccc1 ZINC000820994111 606039225 /nfs/dbraw/zinc/03/92/25/606039225.db2.gz DTKUVUNVHDBQJB-NVXWUHKLSA-N -1 3 363.469 3.294 20 0 FGADHM COc1ccc(CNc2nc3ccccc3cc2-c2nnn[n-]2)cc1F ZINC000821823712 606039768 /nfs/dbraw/zinc/03/97/68/606039768.db2.gz BCNBLWWNGWBZOZ-UHFFFAOYSA-N -1 3 350.357 3.175 20 0 FGADHM COc1ccc(CNc2nc3ccccc3cc2-c2nn[n-]n2)cc1F ZINC000821823712 606039772 /nfs/dbraw/zinc/03/97/72/606039772.db2.gz BCNBLWWNGWBZOZ-UHFFFAOYSA-N -1 3 350.357 3.175 20 0 FGADHM c1ccc2nc(NCc3ccc(N4CCCC4)nc3)c(-c3nnn[n-]3)cc2c1 ZINC000823802480 606041534 /nfs/dbraw/zinc/04/15/34/606041534.db2.gz QDFSEVAHNQPWMV-UHFFFAOYSA-N -1 3 372.436 3.022 20 0 FGADHM c1ccc2nc(NCc3ccc(N4CCCC4)nc3)c(-c3nn[n-]n3)cc2c1 ZINC000823802480 606041540 /nfs/dbraw/zinc/04/15/40/606041540.db2.gz QDFSEVAHNQPWMV-UHFFFAOYSA-N -1 3 372.436 3.022 20 0 FGADHM CCc1nc(CCNc2nc3ccccc3cc2-c2nnn[n-]2)cs1 ZINC000821506628 606066992 /nfs/dbraw/zinc/06/69/92/606066992.db2.gz ZEAWQQOJKJFSMO-UHFFFAOYSA-N -1 3 351.439 3.088 20 0 FGADHM CCc1nc(CCNc2nc3ccccc3cc2-c2nn[n-]n2)cs1 ZINC000821506628 606066998 /nfs/dbraw/zinc/06/69/98/606066998.db2.gz ZEAWQQOJKJFSMO-UHFFFAOYSA-N -1 3 351.439 3.088 20 0 FGADHM O=C(Nc1cc(Cl)ccc1NC1CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000823299142 606069017 /nfs/dbraw/zinc/06/90/17/606069017.db2.gz JPVCLOKPRXJDPI-UHFFFAOYSA-N -1 3 354.801 3.347 20 0 FGADHM O=C(Nc1cc(Cl)ccc1NC1CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000823299142 606069022 /nfs/dbraw/zinc/06/90/22/606069022.db2.gz JPVCLOKPRXJDPI-UHFFFAOYSA-N -1 3 354.801 3.347 20 0 FGADHM COc1ccc2c(c1)CCCN(c1nc3ccccc3cc1-c1nnn[n-]1)C2 ZINC000821849778 606069454 /nfs/dbraw/zinc/06/94/54/606069454.db2.gz QGBSNWBTUYTSDT-UHFFFAOYSA-N -1 3 372.432 3.376 20 0 FGADHM COc1ccc2c(c1)CCCN(c1nc3ccccc3cc1-c1nn[n-]n1)C2 ZINC000821849778 606069460 /nfs/dbraw/zinc/06/94/60/606069460.db2.gz QGBSNWBTUYTSDT-UHFFFAOYSA-N -1 3 372.432 3.376 20 0 FGADHM C[C@H]1[C@@H](Cc2ccccc2)CCN1C(=O)c1sccc1-c1nnn[n-]1 ZINC000820642442 606104487 /nfs/dbraw/zinc/10/44/87/606104487.db2.gz IHVMGUOHLNHXEQ-GXTWGEPZSA-N -1 3 353.451 3.022 20 0 FGADHM C[C@H]1[C@@H](Cc2ccccc2)CCN1C(=O)c1sccc1-c1nn[n-]n1 ZINC000820642442 606104489 /nfs/dbraw/zinc/10/44/89/606104489.db2.gz IHVMGUOHLNHXEQ-GXTWGEPZSA-N -1 3 353.451 3.022 20 0 FGADHM O=C(C/C=C\c1cccc(F)c1)OCc1cc(-c2nnn[n-]2)ccc1F ZINC000822945661 606127930 /nfs/dbraw/zinc/12/79/30/606127930.db2.gz MYQWOOBRZSGIGQ-RQOWECAXSA-N -1 3 356.332 3.292 20 0 FGADHM O=C(C/C=C\c1cccc(F)c1)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000822945661 606127931 /nfs/dbraw/zinc/12/79/31/606127931.db2.gz MYQWOOBRZSGIGQ-RQOWECAXSA-N -1 3 356.332 3.292 20 0 FGADHM CC[C@@H](Oc1ccccc1C)C(=O)OCc1cccc(-c2nnn[n-]2)c1 ZINC000820937739 606148176 /nfs/dbraw/zinc/14/81/76/606148176.db2.gz CHYMIIHCCUDGSC-MRXNPFEDSA-N -1 3 352.394 3.076 20 0 FGADHM CC[C@@H](Oc1ccccc1C)C(=O)OCc1cccc(-c2nn[n-]n2)c1 ZINC000820937739 606148178 /nfs/dbraw/zinc/14/81/78/606148178.db2.gz CHYMIIHCCUDGSC-MRXNPFEDSA-N -1 3 352.394 3.076 20 0 FGADHM C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000820561885 606149508 /nfs/dbraw/zinc/14/95/08/606149508.db2.gz BIOKLHBJDCEPOZ-NWDGAFQWSA-N -1 3 370.844 3.179 20 0 FGADHM C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000820561885 606149510 /nfs/dbraw/zinc/14/95/10/606149510.db2.gz BIOKLHBJDCEPOZ-NWDGAFQWSA-N -1 3 370.844 3.179 20 0 FGADHM C[C@@H]1CN(C(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C(C)(C)C1 ZINC000820741389 606167208 /nfs/dbraw/zinc/16/72/08/606167208.db2.gz CHUDLTXSFTYFRO-VIFPVBQESA-N -1 3 350.879 3.337 20 0 FGADHM C[C@@H]1CN(C(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C(C)(C)C1 ZINC000820741389 606167209 /nfs/dbraw/zinc/16/72/09/606167209.db2.gz CHUDLTXSFTYFRO-VIFPVBQESA-N -1 3 350.879 3.337 20 0 FGADHM CO[C@@H](C)c1nc(CSc2ccc(-c3nnn[n-]3)cc2F)cs1 ZINC000821675042 606172280 /nfs/dbraw/zinc/17/22/80/606172280.db2.gz BPQUHGXQCIZDGL-QMMMGPOBSA-N -1 3 351.432 3.462 20 0 FGADHM CO[C@@H](C)c1nc(CSc2ccc(-c3nn[n-]n3)cc2F)cs1 ZINC000821675042 606172282 /nfs/dbraw/zinc/17/22/82/606172282.db2.gz BPQUHGXQCIZDGL-QMMMGPOBSA-N -1 3 351.432 3.462 20 0 FGADHM Cc1cc(C)n(CCCNc2ccc(C(F)(F)F)cc2-c2nnn[n-]2)n1 ZINC000822198556 606174463 /nfs/dbraw/zinc/17/44/63/606174463.db2.gz AGKLBFJSEICLMT-UHFFFAOYSA-N -1 3 365.363 3.201 20 0 FGADHM Cc1cc(C)n(CCCNc2ccc(C(F)(F)F)cc2-c2nn[n-]n2)n1 ZINC000822198556 606174464 /nfs/dbraw/zinc/17/44/64/606174464.db2.gz AGKLBFJSEICLMT-UHFFFAOYSA-N -1 3 365.363 3.201 20 0 FGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1)c1cccc(C(F)(F)F)c1F ZINC000823431644 606194459 /nfs/dbraw/zinc/19/44/59/606194459.db2.gz UJXAYTYYBIQWOO-UHFFFAOYSA-N -1 3 366.274 3.382 20 0 FGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1)c1cccc(C(F)(F)F)c1F ZINC000823431644 606194461 /nfs/dbraw/zinc/19/44/61/606194461.db2.gz UJXAYTYYBIQWOO-UHFFFAOYSA-N -1 3 366.274 3.382 20 0 FGADHM CCc1ccc(Cl)c(CC)c1NC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000821486739 606209231 /nfs/dbraw/zinc/20/92/31/606209231.db2.gz KOJDYSBZEGIRRX-UHFFFAOYSA-N -1 3 358.833 3.236 20 0 FGADHM CCc1ccc(Cl)c(CC)c1NC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000821486739 606209232 /nfs/dbraw/zinc/20/92/32/606209232.db2.gz KOJDYSBZEGIRRX-UHFFFAOYSA-N -1 3 358.833 3.236 20 0 FGADHM Clc1cc(NCCCc2nc3ccccc3[nH]2)ccc1-c1nnn[n-]1 ZINC000822568648 606215601 /nfs/dbraw/zinc/21/56/01/606215601.db2.gz UZPXDHMPSVORDX-UHFFFAOYSA-N -1 3 353.817 3.441 20 0 FGADHM Clc1cc(NCCCc2nc3ccccc3[nH]2)ccc1-c1nn[n-]n1 ZINC000822568648 606215603 /nfs/dbraw/zinc/21/56/03/606215603.db2.gz UZPXDHMPSVORDX-UHFFFAOYSA-N -1 3 353.817 3.441 20 0 FGADHM CC(C)(C)n1ncc2c1CCC[C@H]2Nc1ccc(-c2nn[n-]n2)cc1F ZINC000819976048 606223906 /nfs/dbraw/zinc/22/39/06/606223906.db2.gz JHHUEARDYOUHSF-CQSZACIVSA-N -1 3 355.421 3.447 20 0 FGADHM COc1ccc(CNCc2ccc(-c3nnn[n-]3)o2)c(OC2CCCC2)c1 ZINC000821818639 606225092 /nfs/dbraw/zinc/22/50/92/606225092.db2.gz VYKSTWAAUMDMEL-UHFFFAOYSA-N -1 3 369.425 3.080 20 0 FGADHM COc1ccc(CNCc2ccc(-c3nn[n-]n3)o2)c(OC2CCCC2)c1 ZINC000821818639 606225094 /nfs/dbraw/zinc/22/50/94/606225094.db2.gz VYKSTWAAUMDMEL-UHFFFAOYSA-N -1 3 369.425 3.080 20 0 FGADHM O=C(Cc1coc2cc(F)ccc12)OCc1ccc(-c2nnn[n-]2)cc1F ZINC000823118680 606228014 /nfs/dbraw/zinc/22/80/14/606228014.db2.gz LUJUBDRSNBZRAX-UHFFFAOYSA-N -1 3 370.315 3.177 20 0 FGADHM O=C(Cc1coc2cc(F)ccc12)OCc1ccc(-c2nn[n-]n2)cc1F ZINC000823118680 606228016 /nfs/dbraw/zinc/22/80/16/606228016.db2.gz LUJUBDRSNBZRAX-UHFFFAOYSA-N -1 3 370.315 3.177 20 0 FGADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1ccccc1COc1ccccc1 ZINC000822655664 606235180 /nfs/dbraw/zinc/23/51/80/606235180.db2.gz SGQBUGPXJQKKDS-UHFFFAOYSA-N -1 3 374.404 3.037 20 0 FGADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1ccccc1COc1ccccc1 ZINC000822655664 606235182 /nfs/dbraw/zinc/23/51/82/606235182.db2.gz SGQBUGPXJQKKDS-UHFFFAOYSA-N -1 3 374.404 3.037 20 0 FGADHM O=C(NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1)[C@H]1C[C@H]1C1CC1 ZINC000823253771 606257381 /nfs/dbraw/zinc/25/73/81/606257381.db2.gz LTUUYQFTDCWHOZ-GJZGRUSLSA-N -1 3 365.462 3.258 20 0 FGADHM C[C@H](OC(=O)c1occc1Br)c1ccc(-c2nnn[n-]2)cc1 ZINC000820519781 606259495 /nfs/dbraw/zinc/25/94/95/606259495.db2.gz WSBFATZQTCAYNM-QMMMGPOBSA-N -1 3 363.171 3.140 20 0 FGADHM C[C@H](OC(=O)c1occc1Br)c1ccc(-c2nn[n-]n2)cc1 ZINC000820519781 606259497 /nfs/dbraw/zinc/25/94/97/606259497.db2.gz WSBFATZQTCAYNM-QMMMGPOBSA-N -1 3 363.171 3.140 20 0 FGADHM O=C(Nc1ccc(NC2CCCCC2)cc1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823350490 606265391 /nfs/dbraw/zinc/26/53/91/606265391.db2.gz PESFIFYKCDZBGL-UHFFFAOYSA-N -1 3 351.414 3.192 20 0 FGADHM O=C(Nc1ccc(NC2CCCCC2)cc1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823350490 606265392 /nfs/dbraw/zinc/26/53/92/606265392.db2.gz PESFIFYKCDZBGL-UHFFFAOYSA-N -1 3 351.414 3.192 20 0 FGADHM C[C@@H](SCc1ccccc1)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820549692 606267853 /nfs/dbraw/zinc/26/78/53/606267853.db2.gz QFXIRNNWKCNUFD-LLVKDONJSA-N -1 3 357.414 3.266 20 0 FGADHM C[C@@H](SCc1ccccc1)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820549692 606267854 /nfs/dbraw/zinc/26/78/54/606267854.db2.gz QFXIRNNWKCNUFD-LLVKDONJSA-N -1 3 357.414 3.266 20 0 FGADHM O=C(Nc1ccc(C(F)(F)C(F)(F)F)cc1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823323329 606271946 /nfs/dbraw/zinc/27/19/46/606271946.db2.gz KSJMFGSXWAEGGX-UHFFFAOYSA-N -1 3 372.257 3.101 20 0 FGADHM O=C(Nc1ccc(C(F)(F)C(F)(F)F)cc1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823323329 606271947 /nfs/dbraw/zinc/27/19/47/606271947.db2.gz KSJMFGSXWAEGGX-UHFFFAOYSA-N -1 3 372.257 3.101 20 0 FGADHM COc1ccccc1-c1cccc(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)c1 ZINC000821877857 606272896 /nfs/dbraw/zinc/27/28/96/606272896.db2.gz XHASTJKIKFIVFC-UHFFFAOYSA-N -1 3 360.377 3.123 20 0 FGADHM COc1ccccc1-c1cccc(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)c1 ZINC000821877857 606272897 /nfs/dbraw/zinc/27/28/97/606272897.db2.gz XHASTJKIKFIVFC-UHFFFAOYSA-N -1 3 360.377 3.123 20 0 FGADHM Cc1ccccc1COc1cccc(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)c1 ZINC000822362199 606274829 /nfs/dbraw/zinc/27/48/29/606274829.db2.gz NZTWTWXRTYEJAV-UHFFFAOYSA-N -1 3 374.404 3.335 20 0 FGADHM Cc1ccccc1COc1cccc(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)c1 ZINC000822362199 606274831 /nfs/dbraw/zinc/27/48/31/606274831.db2.gz NZTWTWXRTYEJAV-UHFFFAOYSA-N -1 3 374.404 3.335 20 0 FGADHM C[C@]1(CCc2ccccc2)CCN(C(=O)c2sccc2-c2nnn[n-]2)C1 ZINC000820613314 606281223 /nfs/dbraw/zinc/28/12/23/606281223.db2.gz ZQMYPRWXSCPTPI-IBGZPJMESA-N -1 3 367.478 3.413 20 0 FGADHM C[C@]1(CCc2ccccc2)CCN(C(=O)c2sccc2-c2nn[n-]n2)C1 ZINC000820613314 606281225 /nfs/dbraw/zinc/28/12/25/606281225.db2.gz ZQMYPRWXSCPTPI-IBGZPJMESA-N -1 3 367.478 3.413 20 0 FGADHM CN(C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1c2ccccc2-c2ccccc21 ZINC000821573612 606299514 /nfs/dbraw/zinc/29/95/14/606299514.db2.gz XNMNUZVJJDAIBY-UHFFFAOYSA-N -1 3 356.389 3.037 20 0 FGADHM CN(C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1c2ccccc2-c2ccccc21 ZINC000821573612 606299516 /nfs/dbraw/zinc/29/95/16/606299516.db2.gz XNMNUZVJJDAIBY-UHFFFAOYSA-N -1 3 356.389 3.037 20 0 FGADHM Cc1cccc(S[C@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)c1 ZINC000822332295 606310880 /nfs/dbraw/zinc/31/08/80/606310880.db2.gz MXPDOEXAIAJYJE-ZDUSSCGKSA-N -1 3 357.464 3.134 20 0 FGADHM Cc1cccc(S[C@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)c1 ZINC000822332295 606310881 /nfs/dbraw/zinc/31/08/81/606310881.db2.gz MXPDOEXAIAJYJE-ZDUSSCGKSA-N -1 3 357.464 3.134 20 0 FGADHM C[C@@H](c1ccccc1Cl)N(C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC000820570139 606316274 /nfs/dbraw/zinc/31/62/74/606316274.db2.gz DUIIYJXZCZJEKI-JTQLQIEISA-N -1 3 356.817 3.214 20 0 FGADHM C[C@@H](c1ccccc1Cl)N(C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC000820570139 606316277 /nfs/dbraw/zinc/31/62/77/606316277.db2.gz DUIIYJXZCZJEKI-JTQLQIEISA-N -1 3 356.817 3.214 20 0 FGADHM Cc1cccc([C@H]2CCCCN2C(=O)c2cc(-c3nnn[n-]3)c[nH]2)c1C ZINC000822299379 606323828 /nfs/dbraw/zinc/32/38/28/606323828.db2.gz HBAWOROOUAZXJM-QGZVFWFLSA-N -1 3 350.426 3.179 20 0 FGADHM Cc1cccc([C@H]2CCCCN2C(=O)c2cc(-c3nn[n-]n3)c[nH]2)c1C ZINC000822299379 606323830 /nfs/dbraw/zinc/32/38/30/606323830.db2.gz HBAWOROOUAZXJM-QGZVFWFLSA-N -1 3 350.426 3.179 20 0 FGADHM CC(=O)Nc1ccc(C(=O)[C@H](C)Sc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000819817478 606328703 /nfs/dbraw/zinc/32/87/03/606328703.db2.gz IIRZOOUWGOWAJX-NSHDSACASA-N -1 3 367.434 3.189 20 0 FGADHM CC(=O)Nc1ccc(C(=O)[C@H](C)Sc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000819817478 606328705 /nfs/dbraw/zinc/32/87/05/606328705.db2.gz IIRZOOUWGOWAJX-NSHDSACASA-N -1 3 367.434 3.189 20 0 FGADHM CCOc1ccccc1NC(=O)[C@H](C)Sc1cccc(-c2nnn[n-]2)c1 ZINC000821436842 606328791 /nfs/dbraw/zinc/32/87/91/606328791.db2.gz GGDGMMJVHBBXFM-LBPRGKRZSA-N -1 3 369.450 3.385 20 0 FGADHM CCOc1ccccc1NC(=O)[C@H](C)Sc1cccc(-c2nn[n-]n2)c1 ZINC000821436842 606328793 /nfs/dbraw/zinc/32/87/93/606328793.db2.gz GGDGMMJVHBBXFM-LBPRGKRZSA-N -1 3 369.450 3.385 20 0 FGADHM C[C@@H](Oc1ccccc1F)C(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820548532 606344375 /nfs/dbraw/zinc/34/43/75/606344375.db2.gz BMNSFIJIBOKPLM-NWDGAFQWSA-N -1 3 356.357 3.078 20 0 FGADHM C[C@@H](Oc1ccccc1F)C(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820548532 606344377 /nfs/dbraw/zinc/34/43/77/606344377.db2.gz BMNSFIJIBOKPLM-NWDGAFQWSA-N -1 3 356.357 3.078 20 0 FGADHM C[C@@H](OC(=O)[C@H](C)Oc1ccc(F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820536984 606344906 /nfs/dbraw/zinc/34/49/06/606344906.db2.gz ZOFNSBOPCHZUHA-NEPJUHHUSA-N -1 3 356.357 3.078 20 0 FGADHM C[C@@H](OC(=O)[C@H](C)Oc1ccc(F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820536984 606344908 /nfs/dbraw/zinc/34/49/08/606344908.db2.gz ZOFNSBOPCHZUHA-NEPJUHHUSA-N -1 3 356.357 3.078 20 0 FGADHM C[C@@H]1C[C@@H]1c1ccc(CNC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)o1 ZINC000820678671 606347116 /nfs/dbraw/zinc/34/71/16/606347116.db2.gz XALSXTBMXXWIKJ-SKDRFNHKSA-N -1 3 356.361 3.044 20 0 FGADHM C[C@@H]1C[C@@H]1c1ccc(CNC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)o1 ZINC000820678671 606347118 /nfs/dbraw/zinc/34/71/18/606347118.db2.gz XALSXTBMXXWIKJ-SKDRFNHKSA-N -1 3 356.361 3.044 20 0 FGADHM C[C@@H](OC(=O)c1cc(-c2ccccc2)on1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820502509 606347619 /nfs/dbraw/zinc/34/76/19/606347619.db2.gz SUWSJMDMDJHBBY-GFCCVEGCSA-N -1 3 361.361 3.440 20 0 FGADHM C[C@@H](OC(=O)c1cc(-c2ccccc2)on1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820502509 606347621 /nfs/dbraw/zinc/34/76/21/606347621.db2.gz SUWSJMDMDJHBBY-GFCCVEGCSA-N -1 3 361.361 3.440 20 0 FGADHM O=C(NCc1coc2ccccc12)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000823266235 606351287 /nfs/dbraw/zinc/35/12/87/606351287.db2.gz PTBIOFLLWIEFNB-UHFFFAOYSA-N -1 3 352.329 3.074 20 0 FGADHM O=C(NCc1coc2ccccc12)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000823266235 606351289 /nfs/dbraw/zinc/35/12/89/606351289.db2.gz PTBIOFLLWIEFNB-UHFFFAOYSA-N -1 3 352.329 3.074 20 0 FGADHM CCSc1ccc(C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000821461477 606351537 /nfs/dbraw/zinc/35/15/37/606351537.db2.gz PGXKIOBREXXMGS-NSHDSACASA-N -1 3 355.423 3.292 20 0 FGADHM CCSc1ccc(C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000821461477 606351539 /nfs/dbraw/zinc/35/15/39/606351539.db2.gz PGXKIOBREXXMGS-NSHDSACASA-N -1 3 355.423 3.292 20 0 FGADHM CCOc1ccc(CC(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821418106 606351617 /nfs/dbraw/zinc/35/16/17/606351617.db2.gz WDXMEKKOKFFNEA-CYBMUJFWSA-N -1 3 352.394 3.112 20 0 FGADHM CCOc1ccc(CC(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821418106 606351619 /nfs/dbraw/zinc/35/16/19/606351619.db2.gz WDXMEKKOKFFNEA-CYBMUJFWSA-N -1 3 352.394 3.112 20 0 FGADHM C[C@H](OC(=O)COc1ccc2c(c1)CCC2)c1ccc(-c2nnn[n-]2)cc1 ZINC000820494562 606357557 /nfs/dbraw/zinc/35/75/57/606357557.db2.gz BFAKORVXUCJXDM-ZDUSSCGKSA-N -1 3 364.405 3.039 20 0 FGADHM C[C@H](OC(=O)COc1ccc2c(c1)CCC2)c1ccc(-c2nn[n-]n2)cc1 ZINC000820494562 606357559 /nfs/dbraw/zinc/35/75/59/606357559.db2.gz BFAKORVXUCJXDM-ZDUSSCGKSA-N -1 3 364.405 3.039 20 0 FGADHM COc1cccc(F)c1[C@@H](C)NC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000821872700 606357714 /nfs/dbraw/zinc/35/77/14/606357714.db2.gz NZGPADLBBMULQF-SECBINFHSA-N -1 3 374.351 3.036 20 0 FGADHM COc1cccc(F)c1[C@@H](C)NC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000821872700 606357716 /nfs/dbraw/zinc/35/77/16/606357716.db2.gz NZGPADLBBMULQF-SECBINFHSA-N -1 3 374.351 3.036 20 0 FGADHM C[C@H]1Cc2ccccc2[C@H]1NC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820813195 606359053 /nfs/dbraw/zinc/35/90/53/606359053.db2.gz ANAFGOTZZHRIGQ-QFYYESIMSA-N -1 3 352.373 3.061 20 0 FGADHM C[C@H]1Cc2ccccc2[C@H]1NC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820813195 606359055 /nfs/dbraw/zinc/35/90/55/606359055.db2.gz ANAFGOTZZHRIGQ-QFYYESIMSA-N -1 3 352.373 3.061 20 0 FGADHM COCCCCC(=O)Oc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821687013 606359897 /nfs/dbraw/zinc/35/98/97/606359897.db2.gz JQONZDFOOREGSL-UHFFFAOYSA-N -1 3 368.393 3.381 20 0 FGADHM COCCCCC(=O)Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821687013 606359898 /nfs/dbraw/zinc/35/98/98/606359898.db2.gz JQONZDFOOREGSL-UHFFFAOYSA-N -1 3 368.393 3.381 20 0 FGADHM O=C(Nc1ccc(O)cc1)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000823350488 606363826 /nfs/dbraw/zinc/36/38/26/606363826.db2.gz PCSIJWGBACHQHZ-UHFFFAOYSA-N -1 3 357.373 3.492 20 0 FGADHM O=C(Nc1ccc(O)cc1)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000823350488 606363827 /nfs/dbraw/zinc/36/38/27/606363827.db2.gz PCSIJWGBACHQHZ-UHFFFAOYSA-N -1 3 357.373 3.492 20 0 FGADHM C[C@@H](SCC(=O)N([C@@H](C)C1CC1)C1CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820549981 606371942 /nfs/dbraw/zinc/37/19/42/606371942.db2.gz UJTQNNYMQWZXHT-QWHCGFSZSA-N -1 3 371.510 3.450 20 0 FGADHM C[C@@H](SCC(=O)N([C@@H](C)C1CC1)C1CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820549981 606371944 /nfs/dbraw/zinc/37/19/44/606371944.db2.gz UJTQNNYMQWZXHT-QWHCGFSZSA-N -1 3 371.510 3.450 20 0 FGADHM C[C@@H](OC(=O)CCC(=O)c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820489081 606396426 /nfs/dbraw/zinc/39/64/26/606396426.db2.gz ZBNWAMRFNZAICO-CYBMUJFWSA-N -1 3 350.378 3.134 20 0 FGADHM C[C@@H](OC(=O)CCC(=O)c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820489081 606396428 /nfs/dbraw/zinc/39/64/28/606396428.db2.gz ZBNWAMRFNZAICO-CYBMUJFWSA-N -1 3 350.378 3.134 20 0 FGADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)OC1c2ccccc2Oc2ccccc21 ZINC000822655598 606408357 /nfs/dbraw/zinc/40/83/57/606408357.db2.gz OSVVPFINXGRRTM-UHFFFAOYSA-N -1 3 373.372 3.257 20 0 FGADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)OC1c2ccccc2Oc2ccccc21 ZINC000822655598 606408359 /nfs/dbraw/zinc/40/83/59/606408359.db2.gz OSVVPFINXGRRTM-UHFFFAOYSA-N -1 3 373.372 3.257 20 0 FGADHM CCc1ccc(CC)c(NCC(=O)Nc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821480237 606413845 /nfs/dbraw/zinc/41/38/45/606413845.db2.gz AGPOTGBMGLGMQF-UHFFFAOYSA-N -1 3 350.426 3.042 20 0 FGADHM CCc1ccc(CC)c(NCC(=O)Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821480237 606413847 /nfs/dbraw/zinc/41/38/47/606413847.db2.gz AGPOTGBMGLGMQF-UHFFFAOYSA-N -1 3 350.426 3.042 20 0 FGADHM Fc1cc(Br)ccc1CNCc1ccc(-c2nnn[n-]2)s1 ZINC000822748153 606419043 /nfs/dbraw/zinc/41/90/43/606419043.db2.gz KIMRIDFPVVLMQK-UHFFFAOYSA-N -1 3 368.235 3.120 20 0 FGADHM C[C@H](Nc1ccc(-c2nnn[n-]2)cn1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000820456001 606419188 /nfs/dbraw/zinc/41/91/88/606419188.db2.gz PAUIURDGTOHMON-RMLUDKJBSA-N -1 3 365.224 3.103 20 0 FGADHM C[C@H](Nc1ccc(-c2nn[n-]n2)cn1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000820456001 606419191 /nfs/dbraw/zinc/41/91/91/606419191.db2.gz PAUIURDGTOHMON-RMLUDKJBSA-N -1 3 365.224 3.103 20 0 FGADHM C[C@H]1CN(C(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)C[C@H]1C ZINC000820743020 606425374 /nfs/dbraw/zinc/42/53/74/606425374.db2.gz PHDJPXXYJRUXIC-OKILXGFUSA-N -1 3 362.437 3.338 20 0 FGADHM C[C@@H]1CN(C(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)C[C@H]1C ZINC000820743021 606425524 /nfs/dbraw/zinc/42/55/24/606425524.db2.gz PHDJPXXYJRUXIC-ZIAGYGMSSA-N -1 3 362.437 3.338 20 0 FGADHM CC(C)[C@H]1OCCC[C@H]1CNc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000820045957 606426630 /nfs/dbraw/zinc/42/66/30/606426630.db2.gz OZIVMRKVKJDSJI-SCLBCKFNSA-N -1 3 352.442 3.278 20 0 FGADHM CC(C)[C@H]1OCCC[C@H]1CNc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000820045957 606426632 /nfs/dbraw/zinc/42/66/32/606426632.db2.gz OZIVMRKVKJDSJI-SCLBCKFNSA-N -1 3 352.442 3.278 20 0 FGADHM CC(C)[C@@H]1OCCC[C@H]1CNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000820051274 606426798 /nfs/dbraw/zinc/42/67/98/606426798.db2.gz MFDDVZQRKBCGNI-GWCFXTLKSA-N -1 3 370.379 3.144 20 0 FGADHM CC(C)[C@@H]1OCCC[C@H]1CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000820051274 606426799 /nfs/dbraw/zinc/42/67/99/606426799.db2.gz MFDDVZQRKBCGNI-GWCFXTLKSA-N -1 3 370.379 3.144 20 0 FGADHM CC(C)[C@@H]1OCCC[C@H]1CNc1nc2ccccc2cc1-c1nnn[n-]1 ZINC000820051365 606427274 /nfs/dbraw/zinc/42/72/74/606427274.db2.gz NZYXQHJXXLDMRM-YOEHRIQHSA-N -1 3 352.442 3.278 20 0 FGADHM CC(C)[C@@H]1OCCC[C@H]1CNc1nc2ccccc2cc1-c1nn[n-]n1 ZINC000820051365 606427276 /nfs/dbraw/zinc/42/72/76/606427276.db2.gz NZYXQHJXXLDMRM-YOEHRIQHSA-N -1 3 352.442 3.278 20 0 FGADHM C[C@H]1CCCN1C(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000820709796 606438072 /nfs/dbraw/zinc/43/80/72/606438072.db2.gz MBVPQHGOGZWLLA-AWEZNQCLSA-N -1 3 363.421 3.070 20 0 FGADHM C[C@H]1CCCN1C(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000820709796 606438075 /nfs/dbraw/zinc/43/80/75/606438075.db2.gz MBVPQHGOGZWLLA-AWEZNQCLSA-N -1 3 363.421 3.070 20 0 FGADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1CCC[C@@H]1c1cccnc1 ZINC000822331337 606444494 /nfs/dbraw/zinc/44/44/94/606444494.db2.gz DZVWITAYZDNFLP-QGZVFWFLSA-N -1 3 357.421 3.460 20 0 FGADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N1CCC[C@@H]1c1cccnc1 ZINC000822331337 606444495 /nfs/dbraw/zinc/44/44/95/606444495.db2.gz DZVWITAYZDNFLP-QGZVFWFLSA-N -1 3 357.421 3.460 20 0 FGADHM FC(F)(F)[C@H]1CCC[C@@H](Nc2c(-c3nnn[n-]3)cnc3ccccc32)C1 ZINC000822714639 606447154 /nfs/dbraw/zinc/44/71/54/606447154.db2.gz QQEDAYCHPPSXIW-WDEREUQCSA-N -1 3 362.359 3.370 20 0 FGADHM FC(F)(F)[C@H]1CCC[C@@H](Nc2c(-c3nn[n-]n3)cnc3ccccc32)C1 ZINC000822714639 606447156 /nfs/dbraw/zinc/44/71/56/606447156.db2.gz QQEDAYCHPPSXIW-WDEREUQCSA-N -1 3 362.359 3.370 20 0 FGADHM FC(F)(F)CN(Cc1cn2ccccc2c1-c1nnn[n-]1)CC1CCC1 ZINC000822719077 606455472 /nfs/dbraw/zinc/45/54/72/606455472.db2.gz YUMZLKSXHHVDIS-UHFFFAOYSA-N -1 3 364.375 3.284 20 0 FGADHM FC(F)(F)CN(Cc1cn2ccccc2c1-c1nn[n-]n1)CC1CCC1 ZINC000822719077 606455473 /nfs/dbraw/zinc/45/54/73/606455473.db2.gz YUMZLKSXHHVDIS-UHFFFAOYSA-N -1 3 364.375 3.284 20 0 FGADHM CCc1ccc(CC)c(NC(=O)COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821480815 606459517 /nfs/dbraw/zinc/45/95/17/606459517.db2.gz FGCYHMCGKRHGIL-UHFFFAOYSA-N -1 3 351.410 3.009 20 0 FGADHM O=C(Nc1ccccc1-c1nnn[n-]1)c1ccc2ccc(Cl)cc2n1 ZINC000823367034 606477787 /nfs/dbraw/zinc/47/77/87/606477787.db2.gz FBRCTQGMAQALQV-UHFFFAOYSA-N -1 3 350.769 3.321 20 0 FGADHM O=C(Nc1ccccc1-c1nn[n-]n1)c1ccc2ccc(Cl)cc2n1 ZINC000823367034 606477788 /nfs/dbraw/zinc/47/77/88/606477788.db2.gz FBRCTQGMAQALQV-UHFFFAOYSA-N -1 3 350.769 3.321 20 0 FGADHM Cc1cc(N2CCCC2)ccc1NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000822207068 606482257 /nfs/dbraw/zinc/48/22/57/606482257.db2.gz JYOFLRFBLWINHQ-UHFFFAOYSA-N -1 3 354.439 3.089 20 0 FGADHM Cc1cc(N2CCCC2)ccc1NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000822207068 606482259 /nfs/dbraw/zinc/48/22/59/606482259.db2.gz JYOFLRFBLWINHQ-UHFFFAOYSA-N -1 3 354.439 3.089 20 0 FGADHM O=C(NC[C@H]1CCC[C@@H](C(F)(F)F)C1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000823175617 606482876 /nfs/dbraw/zinc/48/28/76/606482876.db2.gz KOUXUGKZDAISHN-CMPLNLGQSA-N -1 3 368.363 3.357 20 0 FGADHM O=C(NC[C@H]1CCC[C@@H](C(F)(F)F)C1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000823175617 606482877 /nfs/dbraw/zinc/48/28/77/606482877.db2.gz KOUXUGKZDAISHN-CMPLNLGQSA-N -1 3 368.363 3.357 20 0 FGADHM Cc1cc(NC(=O)Cc2cccc(-c3nnn[n-]3)c2)ccc1Br ZINC000822208430 606487495 /nfs/dbraw/zinc/48/74/95/606487495.db2.gz RDIJRYSOEJLAHJ-UHFFFAOYSA-N -1 3 372.226 3.119 20 0 FGADHM Cc1cc(NC(=O)Cc2cccc(-c3nn[n-]n3)c2)ccc1Br ZINC000822208430 606487496 /nfs/dbraw/zinc/48/74/96/606487496.db2.gz RDIJRYSOEJLAHJ-UHFFFAOYSA-N -1 3 372.226 3.119 20 0 FGADHM C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)c2cc(-c3nnn[n-]3)cs2)C2CC2)o1 ZINC000820674716 606493184 /nfs/dbraw/zinc/49/31/84/606493184.db2.gz GIHCSMZJLXAOHB-YGRLFVJLSA-N -1 3 369.450 3.449 20 0 FGADHM C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)c2cc(-c3nn[n-]n3)cs2)C2CC2)o1 ZINC000820674716 606493185 /nfs/dbraw/zinc/49/31/85/606493185.db2.gz GIHCSMZJLXAOHB-YGRLFVJLSA-N -1 3 369.450 3.449 20 0 FGADHM CCCCOc1ccc(OC)cc1NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000821077846 606493255 /nfs/dbraw/zinc/49/32/55/606493255.db2.gz VZVNHWALFZUHGN-UHFFFAOYSA-N -1 3 373.438 3.368 20 0 FGADHM CCCCOc1ccc(OC)cc1NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000821077846 606493256 /nfs/dbraw/zinc/49/32/56/606493256.db2.gz VZVNHWALFZUHGN-UHFFFAOYSA-N -1 3 373.438 3.368 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)CCC1CCC1 ZINC000821390236 606493657 /nfs/dbraw/zinc/49/36/57/606493657.db2.gz UZEKBJDPNLAFSZ-UHFFFAOYSA-N -1 3 350.806 3.405 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)CCC1CCC1 ZINC000821390236 606493659 /nfs/dbraw/zinc/49/36/59/606493659.db2.gz UZEKBJDPNLAFSZ-UHFFFAOYSA-N -1 3 350.806 3.405 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N(Cc1ccco1)Cc1ccccc1 ZINC000823087532 606494133 /nfs/dbraw/zinc/49/41/33/606494133.db2.gz SILUPXKVLAZHEU-UHFFFAOYSA-N -1 3 373.416 3.231 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N(Cc1ccco1)Cc1ccccc1 ZINC000823087532 606494135 /nfs/dbraw/zinc/49/41/35/606494135.db2.gz SILUPXKVLAZHEU-UHFFFAOYSA-N -1 3 373.416 3.231 20 0 FGADHM C[C@H](NC(=O)c1cc(-c2nnn[n-]2)cs1)c1ccc(F)c(Cl)c1 ZINC000820390323 606496696 /nfs/dbraw/zinc/49/66/96/606496696.db2.gz HEXFQDYKVKDISY-ZETCQYMHSA-N -1 3 351.794 3.212 20 0 FGADHM C[C@H](NC(=O)c1cc(-c2nn[n-]n2)cs1)c1ccc(F)c(Cl)c1 ZINC000820390323 606496697 /nfs/dbraw/zinc/49/66/97/606496697.db2.gz HEXFQDYKVKDISY-ZETCQYMHSA-N -1 3 351.794 3.212 20 0 FGADHM O=C(N[C@@H]1CCCC[C@H]1c1ccccc1)c1cc(-c2nnn[n-]2)cs1 ZINC000823150598 606497793 /nfs/dbraw/zinc/49/77/93/606497793.db2.gz QRSTYDLECKROHY-LSDHHAIUSA-N -1 3 353.451 3.384 20 0 FGADHM O=C(N[C@@H]1CCCC[C@H]1c1ccccc1)c1cc(-c2nn[n-]n2)cs1 ZINC000823150598 606497794 /nfs/dbraw/zinc/49/77/94/606497794.db2.gz QRSTYDLECKROHY-LSDHHAIUSA-N -1 3 353.451 3.384 20 0 FGADHM C[C@@H]1CCN(C(=O)Cc2cccc(-c3nnn[n-]3)c2)c2ccccc2S1 ZINC000820717127 606498723 /nfs/dbraw/zinc/49/87/23/606498723.db2.gz NZCPJDBUZLKKRY-CYBMUJFWSA-N -1 3 365.462 3.327 20 0 FGADHM C[C@@H]1CCN(C(=O)Cc2cccc(-c3nn[n-]n3)c2)c2ccccc2S1 ZINC000820717127 606498725 /nfs/dbraw/zinc/49/87/25/606498725.db2.gz NZCPJDBUZLKKRY-CYBMUJFWSA-N -1 3 365.462 3.327 20 0 FGADHM O=C(Nc1nc2cc(F)c(F)cc2s1)c1cc(-c2nnn[n-]2)cs1 ZINC000823380090 606501347 /nfs/dbraw/zinc/50/13/47/606501347.db2.gz PUZOARUKDJGCMA-UHFFFAOYSA-N -1 3 364.362 3.068 20 0 FGADHM O=C(Nc1nc2cc(F)c(F)cc2s1)c1cc(-c2nn[n-]n2)cs1 ZINC000823380090 606501348 /nfs/dbraw/zinc/50/13/48/606501348.db2.gz PUZOARUKDJGCMA-UHFFFAOYSA-N -1 3 364.362 3.068 20 0 FGADHM CCC1CCC(N(C(=O)Cc2cccc(-c3nnn[n-]3)c2)C2CC2)CC1 ZINC000820971317 606503259 /nfs/dbraw/zinc/50/32/59/606503259.db2.gz BJBDBOWEKVBRKT-UHFFFAOYSA-N -1 3 353.470 3.369 20 0 FGADHM CCC1CCC(N(C(=O)Cc2cccc(-c3nn[n-]n3)c2)C2CC2)CC1 ZINC000820971317 606503261 /nfs/dbraw/zinc/50/32/61/606503261.db2.gz BJBDBOWEKVBRKT-UHFFFAOYSA-N -1 3 353.470 3.369 20 0 FGADHM O=C(Nc1cccc(SC(F)F)c1)c1cc(-c2nnn[n-]2)cs1 ZINC000823368390 606506486 /nfs/dbraw/zinc/50/64/86/606506486.db2.gz VYMMNSNVYWXVJL-UHFFFAOYSA-N -1 3 353.379 3.495 20 0 FGADHM O=C(Nc1cccc(SC(F)F)c1)c1cc(-c2nn[n-]n2)cs1 ZINC000823368390 606506488 /nfs/dbraw/zinc/50/64/88/606506488.db2.gz VYMMNSNVYWXVJL-UHFFFAOYSA-N -1 3 353.379 3.495 20 0 FGADHM CCN(C(=O)c1cc(-c2nnn[n-]2)cs1)[C@H](C)Cc1ccc(OC)cc1 ZINC000821155488 606510434 /nfs/dbraw/zinc/51/04/34/606510434.db2.gz ZUMXCXUOAPUXOJ-GFCCVEGCSA-N -1 3 371.466 3.030 20 0 FGADHM CCN(C(=O)c1cc(-c2nn[n-]n2)cs1)[C@H](C)Cc1ccc(OC)cc1 ZINC000821155488 606510436 /nfs/dbraw/zinc/51/04/36/606510436.db2.gz ZUMXCXUOAPUXOJ-GFCCVEGCSA-N -1 3 371.466 3.030 20 0 FGADHM CC[C@@H]1CCc2nc(NC(=O)Cc3cccc(-c4nnn[n-]4)c3)sc2C1 ZINC000820988192 606514928 /nfs/dbraw/zinc/51/49/28/606514928.db2.gz DDDBPFHZYCHJTF-LLVKDONJSA-N -1 3 368.466 3.019 20 0 FGADHM CC[C@@H]1CCc2nc(NC(=O)Cc3cccc(-c4nn[n-]n4)c3)sc2C1 ZINC000820988192 606514930 /nfs/dbraw/zinc/51/49/30/606514930.db2.gz DDDBPFHZYCHJTF-LLVKDONJSA-N -1 3 368.466 3.019 20 0 FGADHM Cc1cc(NC(=O)c2cc(-c3nnn[n-]3)cs2)c2cccnc2c1C ZINC000822208398 606520060 /nfs/dbraw/zinc/52/00/60/606520060.db2.gz QCLBHRIRQXNMNB-UHFFFAOYSA-N -1 3 350.407 3.346 20 0 FGADHM Cc1cc(NC(=O)c2cc(-c3nn[n-]n3)cs2)c2cccnc2c1C ZINC000822208398 606520062 /nfs/dbraw/zinc/52/00/62/606520062.db2.gz QCLBHRIRQXNMNB-UHFFFAOYSA-N -1 3 350.407 3.346 20 0 FGADHM CCC1(NC(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)CCC1 ZINC000820967688 606529167 /nfs/dbraw/zinc/52/91/67/606529167.db2.gz SZAFKAZOKVPHOQ-UHFFFAOYSA-N -1 3 367.409 3.101 20 0 FGADHM O=C(c1cc(-c2nnn[n-]2)cs1)N1CCC[C@@H](Cc2ccccc2)C1 ZINC000823472625 606542187 /nfs/dbraw/zinc/54/21/87/606542187.db2.gz SWPUVEBSRAYNOJ-AWEZNQCLSA-N -1 3 353.451 3.023 20 0 FGADHM O=C(c1cc(-c2nn[n-]n2)cs1)N1CCC[C@@H](Cc2ccccc2)C1 ZINC000823472625 606542188 /nfs/dbraw/zinc/54/21/88/606542188.db2.gz SWPUVEBSRAYNOJ-AWEZNQCLSA-N -1 3 353.451 3.023 20 0 FGADHM Cc1ccc(NC(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1OCC(F)F ZINC000822248749 606546186 /nfs/dbraw/zinc/54/61/86/606546186.db2.gz MGKUVBUNHDRAGH-UHFFFAOYSA-N -1 3 373.363 3.000 20 0 FGADHM Cc1ccc(NC(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1OCC(F)F ZINC000822248749 606546187 /nfs/dbraw/zinc/54/61/87/606546187.db2.gz MGKUVBUNHDRAGH-UHFFFAOYSA-N -1 3 373.363 3.000 20 0 FGADHM C[C@H](N(C)C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)C1(C)CC1 ZINC000820308762 606552434 /nfs/dbraw/zinc/55/24/34/606552434.db2.gz XVBKZCPQENMHIO-AWEZNQCLSA-N -1 3 357.458 3.063 20 0 FGADHM C[C@H](N(C)C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)C1(C)CC1 ZINC000820308762 606552436 /nfs/dbraw/zinc/55/24/36/606552436.db2.gz XVBKZCPQENMHIO-AWEZNQCLSA-N -1 3 357.458 3.063 20 0 FGADHM Cc1nnc(NC[C@@H]2CCC[C@H](C(F)(F)F)C2)c(-c2nnn[n-]2)c1C ZINC000822516361 606594867 /nfs/dbraw/zinc/59/48/67/606594867.db2.gz XBIJOOHDAWYAIK-MNOVXSKESA-N -1 3 355.368 3.054 20 0 FGADHM Cc1nnc(NC[C@@H]2CCC[C@H](C(F)(F)F)C2)c(-c2nn[n-]n2)c1C ZINC000822516361 606594869 /nfs/dbraw/zinc/59/48/69/606594869.db2.gz XBIJOOHDAWYAIK-MNOVXSKESA-N -1 3 355.368 3.054 20 0 FGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N[C@H](C1CCCCC1)C(F)(F)F ZINC000823359376 606613630 /nfs/dbraw/zinc/61/36/30/606613630.db2.gz MZKFTQMIBOPYPI-CYBMUJFWSA-N -1 3 368.363 3.499 20 0 FGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N[C@H](C1CCCCC1)C(F)(F)F ZINC000823359376 606613631 /nfs/dbraw/zinc/61/36/31/606613631.db2.gz MZKFTQMIBOPYPI-CYBMUJFWSA-N -1 3 368.363 3.499 20 0 FGADHM CC1CC(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)nc2)C1 ZINC000820649967 606618635 /nfs/dbraw/zinc/61/86/35/606618635.db2.gz PPTNZLLTQUGNNJ-UHFFFAOYSA-N -1 3 350.382 3.039 20 0 FGADHM C[C@@H](Sc1ccc(Cl)cc1-c1nnn[n-]1)C(=O)N1CCC(C)CC1 ZINC000820717912 606628088 /nfs/dbraw/zinc/62/80/88/606628088.db2.gz YRPQTTWPTGHKPZ-LLVKDONJSA-N -1 3 365.890 3.259 20 0 FGADHM C[C@@H](Sc1ccc(Cl)cc1-c1nn[n-]n1)C(=O)N1CCC(C)CC1 ZINC000820717912 606628090 /nfs/dbraw/zinc/62/80/90/606628090.db2.gz YRPQTTWPTGHKPZ-LLVKDONJSA-N -1 3 365.890 3.259 20 0 FGADHM Cc1cccc(C(C)C)c1NCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000822288886 606638682 /nfs/dbraw/zinc/63/86/82/606638682.db2.gz MBECJMKWLHHRBS-UHFFFAOYSA-N -1 3 350.426 3.349 20 0 FGADHM Cc1cccc(C(C)C)c1NCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000822288886 606638683 /nfs/dbraw/zinc/63/86/83/606638683.db2.gz MBECJMKWLHHRBS-UHFFFAOYSA-N -1 3 350.426 3.349 20 0 FGADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2sc(Cl)nc2C)s1 ZINC000821469308 606645430 /nfs/dbraw/zinc/64/54/30/606645430.db2.gz CFVHKHSRLUGZGM-UHFFFAOYSA-N -1 3 354.848 3.161 20 0 FGADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2sc(Cl)nc2C)s1 ZINC000821469308 606645431 /nfs/dbraw/zinc/64/54/31/606645431.db2.gz CFVHKHSRLUGZGM-UHFFFAOYSA-N -1 3 354.848 3.161 20 0 FGADHM CCCN(Cc1ccccc1)C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821109555 606665445 /nfs/dbraw/zinc/66/54/45/606665445.db2.gz LZJDWFJDIBUMJM-UHFFFAOYSA-N -1 3 357.364 3.197 20 0 FGADHM CCCN(Cc1ccccc1)C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821109555 606665446 /nfs/dbraw/zinc/66/54/46/606665446.db2.gz LZJDWFJDIBUMJM-UHFFFAOYSA-N -1 3 357.364 3.197 20 0 FGADHM O=C(Nc1ccnn1C1CCCCC1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823375669 606665917 /nfs/dbraw/zinc/66/59/17/606665917.db2.gz DRMHPNBXCUDGDQ-UHFFFAOYSA-N -1 3 373.367 3.099 20 0 FGADHM O=C(Nc1ccnn1C1CCCCC1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823375669 606665918 /nfs/dbraw/zinc/66/59/18/606665918.db2.gz DRMHPNBXCUDGDQ-UHFFFAOYSA-N -1 3 373.367 3.099 20 0 FGADHM Cc1ccc([C@H](C)NC(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1F ZINC000822228802 606666680 /nfs/dbraw/zinc/66/66/80/606666680.db2.gz FVUCGTLIMGVHPQ-STQMWFEESA-N -1 3 368.416 3.436 20 0 FGADHM Cc1ccc([C@H](C)NC(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000822228802 606666681 /nfs/dbraw/zinc/66/66/81/606666681.db2.gz FVUCGTLIMGVHPQ-STQMWFEESA-N -1 3 368.416 3.436 20 0 FGADHM CC(C)C[C@H](C)OCCC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000820057118 606666702 /nfs/dbraw/zinc/66/67/02/606666702.db2.gz WSQJBYPSTDWSLC-HNNXBMFYSA-N -1 3 371.485 3.199 20 0 FGADHM CC(C)C[C@H](C)OCCC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000820057118 606666703 /nfs/dbraw/zinc/66/67/03/606666703.db2.gz WSQJBYPSTDWSLC-HNNXBMFYSA-N -1 3 371.485 3.199 20 0 FGADHM O=C(OCc1ccc2ccccc2n1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823426644 606667435 /nfs/dbraw/zinc/66/74/35/606667435.db2.gz MTEFNEPBPKOGMN-UHFFFAOYSA-N -1 3 367.315 3.050 20 0 FGADHM O=C(OCc1ccc2ccccc2n1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823426644 606667436 /nfs/dbraw/zinc/66/74/36/606667436.db2.gz MTEFNEPBPKOGMN-UHFFFAOYSA-N -1 3 367.315 3.050 20 0 FGADHM C[C@H](c1ccc(F)cc1)N(C)C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820561958 606667843 /nfs/dbraw/zinc/66/78/43/606667843.db2.gz CEHBLIPMRIEUOD-SECBINFHSA-N -1 3 361.327 3.117 20 0 FGADHM C[C@H](c1ccc(F)cc1)N(C)C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820561958 606667844 /nfs/dbraw/zinc/66/78/44/606667844.db2.gz CEHBLIPMRIEUOD-SECBINFHSA-N -1 3 361.327 3.117 20 0 FGADHM Cc1ccc([C@H](C)NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1F ZINC000822228820 606671232 /nfs/dbraw/zinc/67/12/32/606671232.db2.gz GGJUONSNTZRFLW-STQMWFEESA-N -1 3 368.416 3.436 20 0 FGADHM Cc1ccc([C@H](C)NC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1F ZINC000822228820 606671233 /nfs/dbraw/zinc/67/12/33/606671233.db2.gz GGJUONSNTZRFLW-STQMWFEESA-N -1 3 368.416 3.436 20 0 FGADHM C[C@@]1(C(=O)Nc2sc(-c3ccccc3)cc2-c2nnn[n-]2)CCCO1 ZINC000820577843 606672403 /nfs/dbraw/zinc/67/24/03/606672403.db2.gz WGBHWNDDYOVRLE-KRWDZBQOSA-N -1 3 355.423 3.103 20 0 FGADHM C[C@@]1(C(=O)Nc2sc(-c3ccccc3)cc2-c2nn[n-]n2)CCCO1 ZINC000820577843 606672404 /nfs/dbraw/zinc/67/24/04/606672404.db2.gz WGBHWNDDYOVRLE-KRWDZBQOSA-N -1 3 355.423 3.103 20 0 FGADHM COc1ccc(Cl)c(NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c1 ZINC000821824158 606674641 /nfs/dbraw/zinc/67/46/41/606674641.db2.gz IOYHQGCCVNCQBS-UHFFFAOYSA-N -1 3 365.727 3.059 20 0 FGADHM COc1ccc(Cl)c(NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c1 ZINC000821824158 606674642 /nfs/dbraw/zinc/67/46/42/606674642.db2.gz IOYHQGCCVNCQBS-UHFFFAOYSA-N -1 3 365.727 3.059 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)c1sc(C)nc1CC(C)C ZINC000821765774 606675518 /nfs/dbraw/zinc/67/55/18/606675518.db2.gz KJUNNSOFQYEOPE-UHFFFAOYSA-N -1 3 372.454 3.091 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)c1sc(C)nc1CC(C)C ZINC000821765774 606675519 /nfs/dbraw/zinc/67/55/19/606675519.db2.gz KJUNNSOFQYEOPE-UHFFFAOYSA-N -1 3 372.454 3.091 20 0 FGADHM Cc1ccccc1[C@@H]1CCN(C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)C1 ZINC000822352136 606676131 /nfs/dbraw/zinc/67/61/31/606676131.db2.gz UXQKHZWNKPNMHN-GFCCVEGCSA-N -1 3 369.375 3.083 20 0 FGADHM Cc1ccccc1[C@@H]1CCN(C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C1 ZINC000822352136 606676132 /nfs/dbraw/zinc/67/61/32/606676132.db2.gz UXQKHZWNKPNMHN-GFCCVEGCSA-N -1 3 369.375 3.083 20 0 FGADHM O=C(CCCc1csc2ccccc12)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000822958916 606677916 /nfs/dbraw/zinc/67/79/16/606677916.db2.gz NJZHRIUWKGBBBM-UHFFFAOYSA-N -1 3 364.434 3.438 20 0 FGADHM O=C(CCCc1csc2ccccc12)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000822958916 606677917 /nfs/dbraw/zinc/67/79/17/606677917.db2.gz NJZHRIUWKGBBBM-UHFFFAOYSA-N -1 3 364.434 3.438 20 0 FGADHM O=C(CCCc1ccc(F)c(F)c1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822958894 606677925 /nfs/dbraw/zinc/67/79/25/606677925.db2.gz LZECQGDYXOMWOW-UHFFFAOYSA-N -1 3 361.327 3.245 20 0 FGADHM O=C(CCCc1ccc(F)c(F)c1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822958894 606677926 /nfs/dbraw/zinc/67/79/26/606677926.db2.gz LZECQGDYXOMWOW-UHFFFAOYSA-N -1 3 361.327 3.245 20 0 FGADHM Cc1cccc([C@@H](C)NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c1C ZINC000822289084 606680222 /nfs/dbraw/zinc/68/02/22/606680222.db2.gz RBTWCNYNUAWYCY-LLVKDONJSA-N -1 3 357.364 3.253 20 0 FGADHM Cc1cccc([C@@H](C)NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c1C ZINC000822289084 606680223 /nfs/dbraw/zinc/68/02/23/606680223.db2.gz RBTWCNYNUAWYCY-LLVKDONJSA-N -1 3 357.364 3.253 20 0 FGADHM C[C@@H](OC(=O)CCSc1ccccn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820494590 606684910 /nfs/dbraw/zinc/68/49/10/606684910.db2.gz BIGBBZRQQLLTDV-GFCCVEGCSA-N -1 3 355.423 3.048 20 0 FGADHM C[C@@H](OC(=O)CCSc1ccccn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820494590 606684911 /nfs/dbraw/zinc/68/49/11/606684911.db2.gz BIGBBZRQQLLTDV-GFCCVEGCSA-N -1 3 355.423 3.048 20 0 FGADHM O=C(O[C@H]1CCc2ccc(F)cc21)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823396619 606685524 /nfs/dbraw/zinc/68/55/24/606685524.db2.gz LTGQIJXLBDYBDW-AWEZNQCLSA-N -1 3 360.295 3.128 20 0 FGADHM O=C(O[C@H]1CCc2ccc(F)cc21)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823396619 606685525 /nfs/dbraw/zinc/68/55/25/606685525.db2.gz LTGQIJXLBDYBDW-AWEZNQCLSA-N -1 3 360.295 3.128 20 0 FGADHM Fc1ccc(Cl)c(NCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)c1 ZINC000822775315 606703514 /nfs/dbraw/zinc/70/35/14/606703514.db2.gz VNPPPIKULZZUEK-UHFFFAOYSA-N -1 3 371.763 3.321 20 0 FGADHM Fc1ccc(Cl)c(NCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)c1 ZINC000822775315 606703516 /nfs/dbraw/zinc/70/35/16/606703516.db2.gz VNPPPIKULZZUEK-UHFFFAOYSA-N -1 3 371.763 3.321 20 0 FGADHM C[C@@]1(C(=O)OCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)CCCO1 ZINC000820577338 606755031 /nfs/dbraw/zinc/75/50/31/606755031.db2.gz OSLVNAHHFSOYIM-FQEVSTJZSA-N -1 3 364.405 3.146 20 0 FGADHM C[C@@]1(C(=O)OCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)CCCO1 ZINC000820577338 606755032 /nfs/dbraw/zinc/75/50/32/606755032.db2.gz OSLVNAHHFSOYIM-FQEVSTJZSA-N -1 3 364.405 3.146 20 0 FGADHM COC[C@H](C)CC(=O)OCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000821681613 606760225 /nfs/dbraw/zinc/76/02/25/606760225.db2.gz OJDQLBWCYHBTKO-CQSZACIVSA-N -1 3 366.421 3.250 20 0 FGADHM COC[C@H](C)CC(=O)OCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000821681613 606760226 /nfs/dbraw/zinc/76/02/26/606760226.db2.gz OJDQLBWCYHBTKO-CQSZACIVSA-N -1 3 366.421 3.250 20 0 FGADHM CCN(C(=O)COc1cc(Cl)ccc1-c1nnn[n-]1)C1CCCCC1 ZINC000821155375 606780107 /nfs/dbraw/zinc/78/01/07/606780107.db2.gz YQXHMOKUDLXMRK-UHFFFAOYSA-N -1 3 363.849 3.080 20 0 FGADHM CCN(C(=O)COc1cc(Cl)ccc1-c1nn[n-]n1)C1CCCCC1 ZINC000821155375 606780108 /nfs/dbraw/zinc/78/01/08/606780108.db2.gz YQXHMOKUDLXMRK-UHFFFAOYSA-N -1 3 363.849 3.080 20 0 FGADHM Cc1nc2ccccc2nc1COc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000822463450 606781081 /nfs/dbraw/zinc/78/10/81/606781081.db2.gz SIBBPBRFLFWZDF-UHFFFAOYSA-N -1 3 352.785 3.351 20 0 FGADHM Cc1nc2ccccc2nc1COc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000822463450 606781082 /nfs/dbraw/zinc/78/10/82/606781082.db2.gz SIBBPBRFLFWZDF-UHFFFAOYSA-N -1 3 352.785 3.351 20 0 FGADHM CC(C)CC1(CNC(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)CCC1 ZINC000820061511 606787781 /nfs/dbraw/zinc/78/77/81/606787781.db2.gz DSHZDEPRYPCIJN-AWEZNQCLSA-N -1 3 356.474 3.443 20 0 FGADHM CC(C)CC1(CNC(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)CCC1 ZINC000820061511 606787783 /nfs/dbraw/zinc/78/77/83/606787783.db2.gz DSHZDEPRYPCIJN-AWEZNQCLSA-N -1 3 356.474 3.443 20 0 FGADHM CCOCCOC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000821384303 606830224 /nfs/dbraw/zinc/83/02/24/606830224.db2.gz UFBKWTCZCLFWMA-UHFFFAOYSA-N -1 3 368.393 3.161 20 0 FGADHM CCOCCOC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000821384303 606830226 /nfs/dbraw/zinc/83/02/26/606830226.db2.gz UFBKWTCZCLFWMA-UHFFFAOYSA-N -1 3 368.393 3.161 20 0 FGADHM CC(=O)c1ccc(Br)cc1OCc1ccccc1-c1nnn[n-]1 ZINC000819834150 606849225 /nfs/dbraw/zinc/84/92/25/606849225.db2.gz MNQCWYJLYMADQY-UHFFFAOYSA-N -1 3 373.210 3.411 20 0 FGADHM CC(=O)c1ccc(Br)cc1OCc1ccccc1-c1nn[n-]n1 ZINC000819834150 606849226 /nfs/dbraw/zinc/84/92/26/606849226.db2.gz MNQCWYJLYMADQY-UHFFFAOYSA-N -1 3 373.210 3.411 20 0 FGADHM COc1c(F)cc(F)cc1NCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000821698344 606865767 /nfs/dbraw/zinc/86/57/67/606865767.db2.gz GDCSWHOBTPRDFL-UHFFFAOYSA-N -1 3 361.352 3.035 20 0 FGADHM COc1c(F)cc(F)cc1NCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000821698344 606865769 /nfs/dbraw/zinc/86/57/69/606865769.db2.gz GDCSWHOBTPRDFL-UHFFFAOYSA-N -1 3 361.352 3.035 20 0 FGADHM CC1(C)CN(C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)c2ccccc21 ZINC000820601404 606868956 /nfs/dbraw/zinc/86/89/56/606868956.db2.gz JZQQPXGKDAWYJW-UHFFFAOYSA-N -1 3 366.400 3.013 20 0 FGADHM CC1(C)CN(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)c2ccccc21 ZINC000820601404 606868958 /nfs/dbraw/zinc/86/89/58/606868958.db2.gz JZQQPXGKDAWYJW-UHFFFAOYSA-N -1 3 366.400 3.013 20 0 FGADHM COC(=O)c1ccc(CSc2nc(C)cc(C)c2-c2nnn[n-]2)s1 ZINC000821669402 606873030 /nfs/dbraw/zinc/87/30/30/606873030.db2.gz KBOIJWKGHGPOLJ-UHFFFAOYSA-N -1 3 361.452 3.019 20 0 FGADHM COC(=O)c1ccc(CSc2nc(C)cc(C)c2-c2nn[n-]n2)s1 ZINC000821669402 606873031 /nfs/dbraw/zinc/87/30/31/606873031.db2.gz KBOIJWKGHGPOLJ-UHFFFAOYSA-N -1 3 361.452 3.019 20 0 FGADHM C[C@@H]1CC[C@H](C)N1C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000820684117 606878528 /nfs/dbraw/zinc/87/85/28/606878528.db2.gz MFONFYKWHDZUMU-BETUJISGSA-N -1 3 364.409 3.067 20 0 FGADHM C[C@@H]1CC[C@H](C)N1C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000820684117 606878532 /nfs/dbraw/zinc/87/85/32/606878532.db2.gz MFONFYKWHDZUMU-BETUJISGSA-N -1 3 364.409 3.067 20 0 FGADHM O=C(N[C@H]1CC2(CCC2)Oc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000823144736 606879986 /nfs/dbraw/zinc/87/99/86/606879986.db2.gz KYAJDGSYTRTCQA-INIZCTEOSA-N -1 3 361.405 3.043 20 0 FGADHM O=C(N[C@H]1CC2(CCC2)Oc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000823144736 606879987 /nfs/dbraw/zinc/87/99/87/606879987.db2.gz KYAJDGSYTRTCQA-INIZCTEOSA-N -1 3 361.405 3.043 20 0 FGADHM CCc1nnc(NCc2ccc([C@H]3C[C@@H]3C)o2)c(-c2nnn[n-]2)c1CC ZINC000821542232 606922485 /nfs/dbraw/zinc/92/24/85/606922485.db2.gz LYZUIKJGHUNGFX-GWCFXTLKSA-N -1 3 353.430 3.110 20 0 FGADHM CCc1nnc(NCc2ccc([C@H]3C[C@@H]3C)o2)c(-c2nn[n-]n2)c1CC ZINC000821542232 606922487 /nfs/dbraw/zinc/92/24/87/606922487.db2.gz LYZUIKJGHUNGFX-GWCFXTLKSA-N -1 3 353.430 3.110 20 0 FGADHM Cl/C=C(\Cl)CN1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000822564100 606925464 /nfs/dbraw/zinc/92/54/64/606925464.db2.gz UBUQIXDMMBWXCJ-XFXZXTDPSA-N -1 3 354.241 3.029 20 0 FGADHM Cl/C=C(\Cl)CN1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000822564100 606925465 /nfs/dbraw/zinc/92/54/65/606925465.db2.gz UBUQIXDMMBWXCJ-XFXZXTDPSA-N -1 3 354.241 3.029 20 0 FGADHM COc1ccc(OC(C)C)c(NCc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000821838452 606929281 /nfs/dbraw/zinc/92/92/81/606929281.db2.gz NNNHNIXKLLAALB-UHFFFAOYSA-N -1 3 357.389 3.414 20 0 FGADHM COc1ccc(OC(C)C)c(NCc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000821838452 606929282 /nfs/dbraw/zinc/92/92/82/606929282.db2.gz NNNHNIXKLLAALB-UHFFFAOYSA-N -1 3 357.389 3.414 20 0 FGADHM Cc1coc(-c2cc(NC(=O)c3ccc(-c4nnn[n-]4)cc3)ccc2C)n1 ZINC000822402527 606938637 /nfs/dbraw/zinc/93/86/37/606938637.db2.gz CZPDHFUBSMOUBJ-UHFFFAOYSA-N -1 3 360.377 3.391 20 0 FGADHM Cc1coc(-c2cc(NC(=O)c3ccc(-c4nn[n-]n4)cc3)ccc2C)n1 ZINC000822402527 606938639 /nfs/dbraw/zinc/93/86/39/606938639.db2.gz CZPDHFUBSMOUBJ-UHFFFAOYSA-N -1 3 360.377 3.391 20 0 FGADHM Cc1cc(Br)cnc1NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822162170 606940450 /nfs/dbraw/zinc/94/04/50/606940450.db2.gz YWCUPWKNOLATGB-UHFFFAOYSA-N -1 3 363.194 3.084 20 0 FGADHM Cc1cc(Br)cnc1NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822162170 606940452 /nfs/dbraw/zinc/94/04/52/606940452.db2.gz YWCUPWKNOLATGB-UHFFFAOYSA-N -1 3 363.194 3.084 20 0 FGADHM OC[C@H](CNc1ccc(C(F)(F)F)cc1-c1nnn[n-]1)c1ccccc1 ZINC000823707195 606942542 /nfs/dbraw/zinc/94/25/42/606942542.db2.gz WZHIRGCGFRDCLC-LBPRGKRZSA-N -1 3 363.343 3.074 20 0 FGADHM OC[C@H](CNc1ccc(C(F)(F)F)cc1-c1nn[n-]n1)c1ccccc1 ZINC000823707195 606942543 /nfs/dbraw/zinc/94/25/43/606942543.db2.gz WZHIRGCGFRDCLC-LBPRGKRZSA-N -1 3 363.343 3.074 20 0 FGADHM c1cc([C@H]2CN(c3cc(-c4nnn[n-]4)c4ccccc4n3)CCO2)cs1 ZINC000823791797 606949562 /nfs/dbraw/zinc/94/95/62/606949562.db2.gz IJAAPOQXZWLXNK-MRXNPFEDSA-N -1 3 364.434 3.054 20 0 FGADHM c1cc([C@H]2CN(c3cc(-c4nn[n-]n4)c4ccccc4n3)CCO2)cs1 ZINC000823791797 606949564 /nfs/dbraw/zinc/94/95/64/606949564.db2.gz IJAAPOQXZWLXNK-MRXNPFEDSA-N -1 3 364.434 3.054 20 0 FGADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1cc(F)cc(Cl)c1 ZINC000821608378 606955654 /nfs/dbraw/zinc/95/56/54/606955654.db2.gz DNHRZOWWFJIQDH-UHFFFAOYSA-N -1 3 360.780 3.323 20 0 FGADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cc(F)cc(Cl)c1 ZINC000821608378 606955656 /nfs/dbraw/zinc/95/56/56/606955656.db2.gz DNHRZOWWFJIQDH-UHFFFAOYSA-N -1 3 360.780 3.323 20 0 FGADHM CN(C(=O)CCCOc1ccccc1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821569525 606959303 /nfs/dbraw/zinc/95/93/03/606959303.db2.gz NCMTVQUNMSEIHF-UHFFFAOYSA-N -1 3 371.828 3.342 20 0 FGADHM CN(C(=O)CCCOc1ccccc1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821569525 606959304 /nfs/dbraw/zinc/95/93/04/606959304.db2.gz NCMTVQUNMSEIHF-UHFFFAOYSA-N -1 3 371.828 3.342 20 0 FGADHM Cc1csc([C@H]2CCCCN2Cc2ccc(F)c(-c3nnn[n-]3)c2)n1 ZINC000822409178 606968015 /nfs/dbraw/zinc/96/80/15/606968015.db2.gz OQUARNXMYDBAPN-OAHLLOKOSA-N -1 3 358.446 3.498 20 0 FGADHM Cc1csc([C@H]2CCCCN2Cc2ccc(F)c(-c3nn[n-]n3)c2)n1 ZINC000822409178 606968017 /nfs/dbraw/zinc/96/80/17/606968017.db2.gz OQUARNXMYDBAPN-OAHLLOKOSA-N -1 3 358.446 3.498 20 0 FGADHM Cc1cc(OC(F)F)c(C(=O)N(C)c2ccccc2-c2nnn[n-]2)s1 ZINC000822210821 606973554 /nfs/dbraw/zinc/97/35/54/606973554.db2.gz SGZAGQQMLWUEQE-UHFFFAOYSA-N -1 3 365.365 3.115 20 0 FGADHM Cc1cc(OC(F)F)c(C(=O)N(C)c2ccccc2-c2nn[n-]n2)s1 ZINC000822210821 606973555 /nfs/dbraw/zinc/97/35/55/606973555.db2.gz SGZAGQQMLWUEQE-UHFFFAOYSA-N -1 3 365.365 3.115 20 0 FGADHM Cc1cc(-c2noc(COc3ccc(-c4nn[n-]n4)cc3C)n2)ccc1F ZINC000822151684 606980816 /nfs/dbraw/zinc/98/08/16/606980816.db2.gz DYEWXCHJIGGMPH-UHFFFAOYSA-N -1 3 366.356 3.252 20 0 FGADHM CCS[C@@H](C)c1noc(CSCc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000821448854 606988625 /nfs/dbraw/zinc/98/86/25/606988625.db2.gz OTDCMHZULMLJMS-JTQLQIEISA-N -1 3 362.484 3.497 20 0 FGADHM CCS[C@@H](C)c1noc(CSCc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000821448854 606988627 /nfs/dbraw/zinc/98/86/27/606988627.db2.gz OTDCMHZULMLJMS-JTQLQIEISA-N -1 3 362.484 3.497 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)C1(c2cccc(F)c2)CCC1 ZINC000823422618 606992676 /nfs/dbraw/zinc/99/26/76/606992676.db2.gz YSBVQWQBLYTMKL-UHFFFAOYSA-N -1 3 370.359 3.310 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)C1(c2cccc(F)c2)CCC1 ZINC000823422618 606992677 /nfs/dbraw/zinc/99/26/77/606992677.db2.gz YSBVQWQBLYTMKL-UHFFFAOYSA-N -1 3 370.359 3.310 20 0 FGADHM O=C(Cc1ccco1)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000823115956 607001066 /nfs/dbraw/zinc/00/10/66/607001066.db2.gz ZYWJKKKVMAGSSH-UHFFFAOYSA-N -1 3 361.361 3.433 20 0 FGADHM O=C(Cc1ccco1)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000823115956 607001067 /nfs/dbraw/zinc/00/10/67/607001067.db2.gz ZYWJKKKVMAGSSH-UHFFFAOYSA-N -1 3 361.361 3.433 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)c1cc(F)cc(Cl)c1 ZINC000823422159 607004177 /nfs/dbraw/zinc/00/41/77/607004177.db2.gz OOYHSBXKBYQBLS-UHFFFAOYSA-N -1 3 350.712 3.155 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)c1cc(F)cc(Cl)c1 ZINC000823422159 607004179 /nfs/dbraw/zinc/00/41/79/607004179.db2.gz OOYHSBXKBYQBLS-UHFFFAOYSA-N -1 3 350.712 3.155 20 0 FGADHM Fc1cccc(-n2ccc(CSc3cccc(-c4nnn[n-]4)c3)n2)c1 ZINC000822787333 607014159 /nfs/dbraw/zinc/01/41/59/607014159.db2.gz YUBHVROSVBGALE-UHFFFAOYSA-N -1 3 352.398 3.484 20 0 FGADHM Fc1cccc(-n2ccc(CSc3cccc(-c4nn[n-]n4)c3)n2)c1 ZINC000822787333 607014162 /nfs/dbraw/zinc/01/41/62/607014162.db2.gz YUBHVROSVBGALE-UHFFFAOYSA-N -1 3 352.398 3.484 20 0 FGADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)C[C@H](C)c1ccncc1 ZINC000821699538 607017162 /nfs/dbraw/zinc/01/71/62/607017162.db2.gz UCOWEMGZWXFJSS-JTQLQIEISA-N -1 3 373.800 3.023 20 0 FGADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)C[C@H](C)c1ccncc1 ZINC000821699538 607017164 /nfs/dbraw/zinc/01/71/64/607017164.db2.gz UCOWEMGZWXFJSS-JTQLQIEISA-N -1 3 373.800 3.023 20 0 FGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)C[C@H](C)c1ccncc1 ZINC000820151662 607017908 /nfs/dbraw/zinc/01/79/08/607017908.db2.gz LWXPPMZJPIDGIX-ZDUSSCGKSA-N -1 3 366.425 3.181 20 0 FGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)C[C@H](C)c1ccncc1 ZINC000820151662 607017910 /nfs/dbraw/zinc/01/79/10/607017910.db2.gz LWXPPMZJPIDGIX-ZDUSSCGKSA-N -1 3 366.425 3.181 20 0 FGADHM Cc1cc(Oc2ccc(NC(=O)c3sccc3-c3nnn[n-]3)cc2)n[nH]1 ZINC000822211752 607020573 /nfs/dbraw/zinc/02/05/73/607020573.db2.gz NHAYESGJCJITQQ-UHFFFAOYSA-N -1 3 367.394 3.004 20 0 FGADHM Cc1cc(Oc2ccc(NC(=O)c3sccc3-c3nn[n-]n3)cc2)n[nH]1 ZINC000822211752 607020574 /nfs/dbraw/zinc/02/05/74/607020574.db2.gz NHAYESGJCJITQQ-UHFFFAOYSA-N -1 3 367.394 3.004 20 0 FGADHM Cc1c2cc(C)ccc2[nH]c1C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822270873 607021335 /nfs/dbraw/zinc/02/13/35/607021335.db2.gz BELWANKGOCUYKB-UHFFFAOYSA-N -1 3 350.357 3.356 20 0 FGADHM Cc1c2cc(C)ccc2[nH]c1C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822270873 607021337 /nfs/dbraw/zinc/02/13/37/607021337.db2.gz BELWANKGOCUYKB-UHFFFAOYSA-N -1 3 350.357 3.356 20 0 FGADHM Cc1ccc([C@@H](C)NC(=O)COc2cc(-c3nnn[n-]3)ccc2C)cc1C ZINC000822229427 607029927 /nfs/dbraw/zinc/02/99/27/607029927.db2.gz UPTZVDCMAQJPSK-OAHLLOKOSA-N -1 3 365.437 3.048 20 0 FGADHM Cc1ccc([C@@H](C)NC(=O)COc2cc(-c3nn[n-]n3)ccc2C)cc1C ZINC000822229427 607029929 /nfs/dbraw/zinc/02/99/29/607029929.db2.gz UPTZVDCMAQJPSK-OAHLLOKOSA-N -1 3 365.437 3.048 20 0 FGADHM Cc1cccc([C@H]2CCCN2c2cc(-c3nnn[n-]3)c3ccccc3n2)n1 ZINC000822299675 607032663 /nfs/dbraw/zinc/03/26/63/607032663.db2.gz QPVDOVYWQBLBHV-GOSISDBHSA-N -1 3 357.421 3.460 20 0 FGADHM Cc1cccc([C@H]2CCCN2c2cc(-c3nn[n-]n3)c3ccccc3n2)n1 ZINC000822299675 607032664 /nfs/dbraw/zinc/03/26/64/607032664.db2.gz QPVDOVYWQBLBHV-GOSISDBHSA-N -1 3 357.421 3.460 20 0 FGADHM CC(C)CO[C@@H]1CCN(c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)C1 ZINC000820103305 607044510 /nfs/dbraw/zinc/04/45/10/607044510.db2.gz UEQCBBQAWZVWSD-GFCCVEGCSA-N -1 3 355.364 3.137 20 0 FGADHM CC(C)CO[C@@H]1CCN(c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)C1 ZINC000820103305 607044511 /nfs/dbraw/zinc/04/45/11/607044511.db2.gz UEQCBBQAWZVWSD-GFCCVEGCSA-N -1 3 355.364 3.137 20 0 FGADHM O=C(NC1(c2cccc(Cl)c2)CCCC1)c1ccc(-c2nnn[n-]2)cn1 ZINC000823139874 607070748 /nfs/dbraw/zinc/07/07/48/607070748.db2.gz NEIOORXOMUHGHV-UHFFFAOYSA-N -1 3 368.828 3.114 20 0 FGADHM O=C(NC1(c2cccc(Cl)c2)CCCC1)c1ccc(-c2nn[n-]n2)cn1 ZINC000823139874 607070750 /nfs/dbraw/zinc/07/07/50/607070750.db2.gz NEIOORXOMUHGHV-UHFFFAOYSA-N -1 3 368.828 3.114 20 0 FGADHM O=C(O[C@H]1CCc2sc(Cl)cc21)c1cc(-c2nnn[n-]2)cs1 ZINC000823397224 607094419 /nfs/dbraw/zinc/09/44/19/607094419.db2.gz SZXKSQHOERJXQV-QMMMGPOBSA-N -1 3 352.828 3.487 20 0 FGADHM O=C(O[C@H]1CCc2sc(Cl)cc21)c1cc(-c2nn[n-]n2)cs1 ZINC000823397224 607094420 /nfs/dbraw/zinc/09/44/20/607094420.db2.gz SZXKSQHOERJXQV-QMMMGPOBSA-N -1 3 352.828 3.487 20 0 FGADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)C/C=C\c1ccc(F)cc1 ZINC000821293348 607100382 /nfs/dbraw/zinc/10/03/82/607100382.db2.gz KKTRYBSKJGTCAP-ARJAWSKDSA-N -1 3 366.400 3.480 20 0 FGADHM Cc1cc(C(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c(Cl)cc1F ZINC000822167645 607116788 /nfs/dbraw/zinc/11/67/88/607116788.db2.gz FTZCNGRMCGBQDO-SNVBAGLBSA-N -1 3 359.792 3.459 20 0 FGADHM Cc1cc(C(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c(Cl)cc1F ZINC000822167645 607116790 /nfs/dbraw/zinc/11/67/90/607116790.db2.gz FTZCNGRMCGBQDO-SNVBAGLBSA-N -1 3 359.792 3.459 20 0 FGADHM CCc1cnc(CSCc2ccc(-c3nnn[n-]3)cc2OC(F)F)o1 ZINC000821499034 607150065 /nfs/dbraw/zinc/15/00/65/607150065.db2.gz BMUJOPLPYJQGCD-UHFFFAOYSA-N -1 3 367.381 3.452 20 0 FGADHM CCc1cnc(CSCc2ccc(-c3nn[n-]n3)cc2OC(F)F)o1 ZINC000821499034 607150066 /nfs/dbraw/zinc/15/00/66/607150066.db2.gz BMUJOPLPYJQGCD-UHFFFAOYSA-N -1 3 367.381 3.452 20 0 FGADHM CC1(C)[C@H](Nc2ccc(C(F)(F)F)cc2-c2nnn[n-]2)[C@H]2CCO[C@H]21 ZINC000820584907 607173469 /nfs/dbraw/zinc/17/34/69/607173469.db2.gz LFAGGUDVQAMIQU-OASPWFOLSA-N -1 3 353.348 3.111 20 0 FGADHM CC1(C)[C@H](Nc2ccc(C(F)(F)F)cc2-c2nn[n-]n2)[C@H]2CCO[C@H]21 ZINC000820584907 607173470 /nfs/dbraw/zinc/17/34/70/607173470.db2.gz LFAGGUDVQAMIQU-OASPWFOLSA-N -1 3 353.348 3.111 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)[C@H]1CCOc2ccccc21 ZINC000823313868 607191259 /nfs/dbraw/zinc/19/12/59/607191259.db2.gz KPGRKMXGTUJYPG-LBPRGKRZSA-N -1 3 355.785 3.025 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)[C@H]1CCOc2ccccc21 ZINC000823313868 607191260 /nfs/dbraw/zinc/19/12/60/607191260.db2.gz KPGRKMXGTUJYPG-LBPRGKRZSA-N -1 3 355.785 3.025 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N[C@H]1CCOC2(CCCCC2)C1 ZINC000823337507 607194521 /nfs/dbraw/zinc/19/45/21/607194521.db2.gz MQSHMQVKAMLXRC-ZDUSSCGKSA-N -1 3 374.420 3.009 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N[C@H]1CCOC2(CCCCC2)C1 ZINC000823337507 607194522 /nfs/dbraw/zinc/19/45/22/607194522.db2.gz MQSHMQVKAMLXRC-ZDUSSCGKSA-N -1 3 374.420 3.009 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N[C@@H]1C[C@@H]1Cc1ccccc1 ZINC000823319297 607195088 /nfs/dbraw/zinc/19/50/88/607195088.db2.gz RRRWRZJRTVUDFN-XJKSGUPXSA-N -1 3 368.828 3.273 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N[C@@H]1C[C@@H]1Cc1ccccc1 ZINC000823319297 607195089 /nfs/dbraw/zinc/19/50/89/607195089.db2.gz RRRWRZJRTVUDFN-XJKSGUPXSA-N -1 3 368.828 3.273 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N[C@H]1CCc2ccccc2C1 ZINC000823318339 607199416 /nfs/dbraw/zinc/19/94/16/607199416.db2.gz CNCAVPZXDDQQCL-AWEZNQCLSA-N -1 3 368.828 3.199 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N[C@H]1CCc2ccccc2C1 ZINC000823318339 607199417 /nfs/dbraw/zinc/19/94/17/607199417.db2.gz CNCAVPZXDDQQCL-AWEZNQCLSA-N -1 3 368.828 3.199 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N1CC(Cc2ccccc2)C1 ZINC000823314521 607201322 /nfs/dbraw/zinc/20/13/22/607201322.db2.gz PCDMUZDMBNWYBL-UHFFFAOYSA-N -1 3 368.828 3.227 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N1CC(Cc2ccccc2)C1 ZINC000823314521 607201323 /nfs/dbraw/zinc/20/13/23/607201323.db2.gz PCDMUZDMBNWYBL-UHFFFAOYSA-N -1 3 368.828 3.227 20 0 FGADHM COCc1cccc(NC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000821695885 607202706 /nfs/dbraw/zinc/20/27/06/607202706.db2.gz LTSLPENPTCXBKJ-UHFFFAOYSA-N -1 3 358.789 3.311 20 0 FGADHM COCc1cccc(NC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000821695885 607202707 /nfs/dbraw/zinc/20/27/07/607202707.db2.gz LTSLPENPTCXBKJ-UHFFFAOYSA-N -1 3 358.789 3.311 20 0 FGADHM CCC[C@H](C)[C@@H]1CCCN1C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000821015665 607206242 /nfs/dbraw/zinc/20/62/42/607206242.db2.gz RXRLRMYPGITPKO-LRDDRELGSA-N -1 3 360.437 3.116 20 0 FGADHM CCC[C@H](C)[C@@H]1CCCN1C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000821015665 607206243 /nfs/dbraw/zinc/20/62/43/607206243.db2.gz RXRLRMYPGITPKO-LRDDRELGSA-N -1 3 360.437 3.116 20 0 FGADHM CC1(C)CCC(C(=O)Nc2ccnn2-c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000820590375 607216658 /nfs/dbraw/zinc/21/66/58/607216658.db2.gz TUKVKJIUDBGOSH-UHFFFAOYSA-N -1 3 365.441 3.207 20 0 FGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NCc1cnc(Cl)s1 ZINC000820156018 607228457 /nfs/dbraw/zinc/22/84/57/607228457.db2.gz ZJPMOXPMEQBEJW-UHFFFAOYSA-N -1 3 350.835 3.376 20 0 FGADHM Cc1ccc(CSc2ncn(Cc3ccccc3-c3nnn[n-]3)n2)cc1 ZINC000822239992 607228813 /nfs/dbraw/zinc/22/88/13/607228813.db2.gz NQFSBVBCSSHGGW-UHFFFAOYSA-N -1 3 363.450 3.107 20 0 FGADHM Cc1ccc(CSc2ncn(Cc3ccccc3-c3nn[n-]n3)n2)cc1 ZINC000822239992 607228814 /nfs/dbraw/zinc/22/88/14/607228814.db2.gz NQFSBVBCSSHGGW-UHFFFAOYSA-N -1 3 363.450 3.107 20 0 FGADHM CC(C)(C)c1ccc(O)c(NC(=O)c2ncc(-c3nnn[n-]3)cc2Cl)c1 ZINC000819957623 607231925 /nfs/dbraw/zinc/23/19/25/607231925.db2.gz BVVBONZHTDMHRU-UHFFFAOYSA-N -1 3 372.816 3.171 20 0 FGADHM CC(C)(C)c1ccc(O)c(NC(=O)c2ncc(-c3nn[n-]n3)cc2Cl)c1 ZINC000819957623 607231926 /nfs/dbraw/zinc/23/19/26/607231926.db2.gz BVVBONZHTDMHRU-UHFFFAOYSA-N -1 3 372.816 3.171 20 0 FGADHM O=C(Nc1ccccc1-c1nnn[n-]1)c1ccc(F)cc1C(F)(F)F ZINC000823368031 607235227 /nfs/dbraw/zinc/23/52/27/607235227.db2.gz SABQBHRJWQTMCJ-UHFFFAOYSA-N -1 3 351.263 3.277 20 0 FGADHM O=C(Nc1ccccc1-c1nn[n-]n1)c1ccc(F)cc1C(F)(F)F ZINC000823368031 607235228 /nfs/dbraw/zinc/23/52/28/607235228.db2.gz SABQBHRJWQTMCJ-UHFFFAOYSA-N -1 3 351.263 3.277 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1ccc(Cl)nc1Cl ZINC000823318596 607241892 /nfs/dbraw/zinc/24/18/92/607241892.db2.gz FOJADHURRYQHAI-UHFFFAOYSA-N -1 3 369.599 3.474 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1ccc(Cl)nc1Cl ZINC000823318596 607241893 /nfs/dbraw/zinc/24/18/93/607241893.db2.gz FOJADHURRYQHAI-UHFFFAOYSA-N -1 3 369.599 3.474 20 0 FGADHM Cc1ccc2c(CCC(=O)Oc3ccc(-c4nnn[n-]4)cc3F)c[nH]c2c1 ZINC000822274643 607244634 /nfs/dbraw/zinc/24/46/34/607244634.db2.gz DMTQOOGBNYPVMC-UHFFFAOYSA-N -1 3 365.368 3.334 20 0 FGADHM Cc1ccc2c(CCC(=O)Oc3ccc(-c4nn[n-]n4)cc3F)c[nH]c2c1 ZINC000822274643 607244635 /nfs/dbraw/zinc/24/46/35/607244635.db2.gz DMTQOOGBNYPVMC-UHFFFAOYSA-N -1 3 365.368 3.334 20 0 FGADHM Cc1oc(-c2cccs2)nc1C(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000822535012 607245423 /nfs/dbraw/zinc/24/54/23/607245423.db2.gz DYVYMDDAWRRKMB-UHFFFAOYSA-N -1 3 371.353 3.250 20 0 FGADHM Cc1oc(-c2cccs2)nc1C(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000822535012 607245424 /nfs/dbraw/zinc/24/54/24/607245424.db2.gz DYVYMDDAWRRKMB-UHFFFAOYSA-N -1 3 371.353 3.250 20 0 FGADHM C[C@@H](Oc1cccc(Cl)c1)C(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000820536424 607246889 /nfs/dbraw/zinc/24/68/89/607246889.db2.gz SXPSWOPOFCGJHO-SECBINFHSA-N -1 3 362.748 3.032 20 0 FGADHM C[C@@H](Oc1cccc(Cl)c1)C(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000820536424 607246890 /nfs/dbraw/zinc/24/68/90/607246890.db2.gz SXPSWOPOFCGJHO-SECBINFHSA-N -1 3 362.748 3.032 20 0 FGADHM Cc1ccc(-c2cc(C(=O)Oc3ccc(-c4nnn[n-]4)cc3F)on2)cc1 ZINC000822214273 607249645 /nfs/dbraw/zinc/24/96/45/607249645.db2.gz XJQKZMHDFBLDTA-UHFFFAOYSA-N -1 3 365.324 3.188 20 0 FGADHM Cc1ccc(-c2cc(C(=O)Oc3ccc(-c4nn[n-]n4)cc3F)on2)cc1 ZINC000822214273 607249646 /nfs/dbraw/zinc/24/96/46/607249646.db2.gz XJQKZMHDFBLDTA-UHFFFAOYSA-N -1 3 365.324 3.188 20 0 FGADHM CC[C@@H](CSc1ccccc1)NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000825128124 607774363 /nfs/dbraw/zinc/77/43/63/607774363.db2.gz QXEMVRXJEHHJJI-LBPRGKRZSA-N -1 3 359.480 3.229 20 0 FGADHM CC[C@@H](CSc1ccccc1)NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000825128124 607774364 /nfs/dbraw/zinc/77/43/64/607774364.db2.gz QXEMVRXJEHHJJI-LBPRGKRZSA-N -1 3 359.480 3.229 20 0 FGADHM Cc1cccc(CSCC(=O)N(C)c2ccccc2-c2nnn[n-]2)c1 ZINC000826298149 607787737 /nfs/dbraw/zinc/78/77/37/607787737.db2.gz GIHJPZBCJDPOPI-UHFFFAOYSA-N -1 3 353.451 3.071 20 0 FGADHM Cc1cccc(CSCC(=O)N(C)c2ccccc2-c2nn[n-]n2)c1 ZINC000826298149 607787738 /nfs/dbraw/zinc/78/77/38/607787738.db2.gz GIHJPZBCJDPOPI-UHFFFAOYSA-N -1 3 353.451 3.071 20 0 FGADHM CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCC(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC000824908158 607790587 /nfs/dbraw/zinc/79/05/87/607790587.db2.gz MVIYFHFAHDIBSN-VKJFTORMSA-N -1 3 371.485 3.307 20 0 FGADHM CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCC(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC000824908158 607790588 /nfs/dbraw/zinc/79/05/88/607790588.db2.gz MVIYFHFAHDIBSN-VKJFTORMSA-N -1 3 371.485 3.307 20 0 FGADHM CCOc1ccccc1C(F)(F)C(=O)N(C)c1cccc(-c2nnn[n-]2)c1 ZINC000825653989 607794653 /nfs/dbraw/zinc/79/46/53/607794653.db2.gz MEQGLXNSUZJNOU-UHFFFAOYSA-N -1 3 373.363 3.020 20 0 FGADHM CCOc1ccccc1C(F)(F)C(=O)N(C)c1cccc(-c2nn[n-]n2)c1 ZINC000825653989 607794654 /nfs/dbraw/zinc/79/46/54/607794654.db2.gz MEQGLXNSUZJNOU-UHFFFAOYSA-N -1 3 373.363 3.020 20 0 FGADHM CCN(C(=O)[C@H]1C[C@H]1c1cc(F)ccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000825366507 607796397 /nfs/dbraw/zinc/79/63/97/607796397.db2.gz ATQIPUCBSOYODA-HOCLYGCPSA-N -1 3 369.375 3.302 20 0 FGADHM CCN(C(=O)[C@H]1C[C@H]1c1cc(F)ccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000825366507 607796398 /nfs/dbraw/zinc/79/63/98/607796398.db2.gz ATQIPUCBSOYODA-HOCLYGCPSA-N -1 3 369.375 3.302 20 0 FGADHM CCN(C(=O)c1cc2cc(F)ccc2o1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825379612 607796562 /nfs/dbraw/zinc/79/65/62/607796562.db2.gz IXKFYYTVPOHSRU-UHFFFAOYSA-N -1 3 351.341 3.419 20 0 FGADHM CCN(C(=O)c1cc2cc(F)ccc2o1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825379612 607796563 /nfs/dbraw/zinc/79/65/63/607796563.db2.gz IXKFYYTVPOHSRU-UHFFFAOYSA-N -1 3 351.341 3.419 20 0 FGADHM CCN(C(=O)c1csc(CC(C)C)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825390676 607798594 /nfs/dbraw/zinc/79/85/94/607798594.db2.gz KBZYWVUELHLINY-UHFFFAOYSA-N -1 3 356.455 3.188 20 0 FGADHM CCN(C(=O)c1csc(CC(C)C)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825390676 607798595 /nfs/dbraw/zinc/79/85/95/607798595.db2.gz KBZYWVUELHLINY-UHFFFAOYSA-N -1 3 356.455 3.188 20 0 FGADHM CCN(C(=O)c1ccc(Cl)nc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000825385536 607799227 /nfs/dbraw/zinc/79/92/27/607799227.db2.gz JSIHSAGBBZXMPS-UHFFFAOYSA-N -1 3 363.208 3.235 20 0 FGADHM CCN(C(=O)c1ccc(Cl)nc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000825385536 607799228 /nfs/dbraw/zinc/79/92/28/607799228.db2.gz JSIHSAGBBZXMPS-UHFFFAOYSA-N -1 3 363.208 3.235 20 0 FGADHM CCN(C(=O)c1sc(C(C)C)nc1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825390984 607799619 /nfs/dbraw/zinc/79/96/19/607799619.db2.gz RFNDQNBLIJDTFG-UHFFFAOYSA-N -1 3 356.455 3.422 20 0 FGADHM CCN(C(=O)c1sc(C(C)C)nc1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825390984 607799620 /nfs/dbraw/zinc/79/96/20/607799620.db2.gz RFNDQNBLIJDTFG-UHFFFAOYSA-N -1 3 356.455 3.422 20 0 FGADHM O=C(c1ccccc1-c1ccccc1-c1nnn[n-]1)N1CC2(CC(F)C2)C1 ZINC000826474495 607807690 /nfs/dbraw/zinc/80/76/90/607807690.db2.gz SGBQRZCOHUCTGD-UHFFFAOYSA-N -1 3 363.396 3.108 20 0 FGADHM O=C(c1ccccc1-c1ccccc1-c1nn[n-]n1)N1CC2(CC(F)C2)C1 ZINC000826474495 607807691 /nfs/dbraw/zinc/80/76/91/607807691.db2.gz SGBQRZCOHUCTGD-UHFFFAOYSA-N -1 3 363.396 3.108 20 0 FGADHM Clc1ccccc1OC[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC000826353804 607820366 /nfs/dbraw/zinc/82/03/66/607820366.db2.gz DUFZZBPPBKYJQK-CYBMUJFWSA-N -1 3 370.844 3.211 20 0 FGADHM Clc1ccccc1OC[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC000826353804 607820367 /nfs/dbraw/zinc/82/03/67/607820367.db2.gz DUFZZBPPBKYJQK-CYBMUJFWSA-N -1 3 370.844 3.211 20 0 FGADHM c1ccc(C2CCN(c3cc(-c4nnn[n-]4)c4ccccc4n3)CC2)nc1 ZINC000826520619 607820761 /nfs/dbraw/zinc/82/07/61/607820761.db2.gz OHHOFVOAMVOTSS-UHFFFAOYSA-N -1 3 357.421 3.194 20 0 FGADHM c1ccc(C2CCN(c3cc(-c4nn[n-]n4)c4ccccc4n3)CC2)nc1 ZINC000826520619 607820762 /nfs/dbraw/zinc/82/07/62/607820762.db2.gz OHHOFVOAMVOTSS-UHFFFAOYSA-N -1 3 357.421 3.194 20 0 FGADHM C[C@H](Cc1ccccc1Cl)C(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC000824457249 607830431 /nfs/dbraw/zinc/83/04/31/607830431.db2.gz IEEAMNYSFAPLPY-GFCCVEGCSA-N -1 3 355.829 3.362 20 0 FGADHM C[C@H](Cc1ccccc1Cl)C(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC000824457249 607830432 /nfs/dbraw/zinc/83/04/32/607830432.db2.gz IEEAMNYSFAPLPY-GFCCVEGCSA-N -1 3 355.829 3.362 20 0 FGADHM C[C@@H]1CSc2ccccc2N(C(=O)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000825013645 607831725 /nfs/dbraw/zinc/83/17/25/607831725.db2.gz REMKPRNQKAIWIR-ZDUSSCGKSA-N -1 3 365.462 3.184 20 0 FGADHM C[C@@H]1CSc2ccccc2N(C(=O)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000825013645 607831726 /nfs/dbraw/zinc/83/17/26/607831726.db2.gz REMKPRNQKAIWIR-ZDUSSCGKSA-N -1 3 365.462 3.184 20 0 FGADHM CCn1cc(C2CCN(c3ccc4cc(-c5nnn[n-]5)ccc4n3)CC2)cn1 ZINC000825799121 607841179 /nfs/dbraw/zinc/84/11/79/607841179.db2.gz FIZLZVLFFHOSNW-UHFFFAOYSA-N -1 3 374.452 3.015 20 0 FGADHM CCn1cc(C2CCN(c3ccc4cc(-c5nn[n-]n5)ccc4n3)CC2)cn1 ZINC000825799121 607841180 /nfs/dbraw/zinc/84/11/80/607841180.db2.gz FIZLZVLFFHOSNW-UHFFFAOYSA-N -1 3 374.452 3.015 20 0 FGADHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1N1CC[C@@H](C2CCOCC2)C1 ZINC000826368501 607851326 /nfs/dbraw/zinc/85/13/26/607851326.db2.gz RNUHTKRDAVJFQH-CYBMUJFWSA-N -1 3 367.375 3.138 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1OC[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000826255461 607876555 /nfs/dbraw/zinc/87/65/55/607876555.db2.gz YRROTOFDXSXQTO-CQSZACIVSA-N -1 3 364.327 3.306 20 0 FGADHM O[C@H](COc1ccc(-c2cscn2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826504191 607877510 /nfs/dbraw/zinc/87/75/10/607877510.db2.gz PKQMBOFJESOZLR-QGZVFWFLSA-N -1 3 365.418 3.103 20 0 FGADHM O[C@H](COc1ccc(-c2cscn2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826504191 607877511 /nfs/dbraw/zinc/87/75/11/607877511.db2.gz PKQMBOFJESOZLR-QGZVFWFLSA-N -1 3 365.418 3.103 20 0 FGADHM CC[C@@H](NC(=S)N1CCc2ccc(-c3nnn[n-]3)cc21)c1cccs1 ZINC000825144031 607930282 /nfs/dbraw/zinc/93/02/82/607930282.db2.gz XXZHQXUFWMNEAQ-CYBMUJFWSA-N -1 3 370.507 3.317 20 0 FGADHM CC[C@@H](NC(=S)N1CCc2ccc(-c3nn[n-]n3)cc21)c1cccs1 ZINC000825144031 607930283 /nfs/dbraw/zinc/93/02/83/607930283.db2.gz XXZHQXUFWMNEAQ-CYBMUJFWSA-N -1 3 370.507 3.317 20 0 FGADHM Cc1ccc(C)c(NC(=S)N2CCc3ccc(-c4nnn[n-]4)cc32)c1 ZINC000826285270 607930344 /nfs/dbraw/zinc/93/03/44/607930344.db2.gz UHUFRVIBFDVUJR-UHFFFAOYSA-N -1 3 350.451 3.243 20 0 FGADHM Cc1ccc(C)c(NC(=S)N2CCc3ccc(-c4nn[n-]n4)cc32)c1 ZINC000826285270 607930345 /nfs/dbraw/zinc/93/03/45/607930345.db2.gz UHUFRVIBFDVUJR-UHFFFAOYSA-N -1 3 350.451 3.243 20 0 FGADHM Cc1nc(-c2cccnc2)nc(N2CCc3ccc(-c4nnn[n-]4)cc32)c1C ZINC000826323152 607935809 /nfs/dbraw/zinc/93/58/09/607935809.db2.gz SFNIUYSGBHHJNX-UHFFFAOYSA-N -1 3 370.420 3.030 20 0 FGADHM Cc1nc(-c2cccnc2)nc(N2CCc3ccc(-c4nn[n-]n4)cc32)c1C ZINC000826323152 607935810 /nfs/dbraw/zinc/93/58/10/607935810.db2.gz SFNIUYSGBHHJNX-UHFFFAOYSA-N -1 3 370.420 3.030 20 0 FGADHM FC(F)c1nc2ccccc2c(N2CCc3ccc(-c4nnn[n-]4)cc32)n1 ZINC000826370184 607936089 /nfs/dbraw/zinc/93/60/89/607936089.db2.gz HMIRVSVEPABSEE-UHFFFAOYSA-N -1 3 365.347 3.442 20 0 FGADHM FC(F)c1nc2ccccc2c(N2CCc3ccc(-c4nn[n-]n4)cc32)n1 ZINC000826370184 607936090 /nfs/dbraw/zinc/93/60/90/607936090.db2.gz HMIRVSVEPABSEE-UHFFFAOYSA-N -1 3 365.347 3.442 20 0 FGADHM CC[C@@H](Sc1ccccc1)C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000825160166 607946331 /nfs/dbraw/zinc/94/63/31/607946331.db2.gz XYSQCUOITIWQEA-QGZVFWFLSA-N -1 3 365.462 3.327 20 0 FGADHM CC[C@@H](Sc1ccccc1)C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000825160166 607946332 /nfs/dbraw/zinc/94/63/32/607946332.db2.gz XYSQCUOITIWQEA-QGZVFWFLSA-N -1 3 365.462 3.327 20 0 FGADHM O=C(CCSc1ccc(F)cc1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826408280 607947409 /nfs/dbraw/zinc/94/74/09/607947409.db2.gz YXMYFEJWCJREMY-UHFFFAOYSA-N -1 3 369.425 3.077 20 0 FGADHM O=C(CCSc1ccc(F)cc1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826408280 607947410 /nfs/dbraw/zinc/94/74/10/607947410.db2.gz YXMYFEJWCJREMY-UHFFFAOYSA-N -1 3 369.425 3.077 20 0 FGADHM Cc1ccc([C@H]2C[C@H](OC(=O)c3cccc(-c4nnn[n-]4)c3)CCO2)cc1 ZINC000826285107 607948776 /nfs/dbraw/zinc/94/87/76/607948776.db2.gz PPTWTLQFEXFMRU-QZTJIDSGSA-N -1 3 364.405 3.252 20 0 FGADHM Cc1ccc([C@H]2C[C@H](OC(=O)c3cccc(-c4nn[n-]n4)c3)CCO2)cc1 ZINC000826285107 607948777 /nfs/dbraw/zinc/94/87/77/607948777.db2.gz PPTWTLQFEXFMRU-QZTJIDSGSA-N -1 3 364.405 3.252 20 0 FGADHM O=C(N1CCc2ccc(-c3nnn[n-]3)cc21)C1(c2ccc(Cl)cc2)CC1 ZINC000826426414 607949717 /nfs/dbraw/zinc/94/97/17/607949717.db2.gz MKZXQDAIDBEWPX-UHFFFAOYSA-N -1 3 365.824 3.141 20 0 FGADHM O=C(N1CCc2ccc(-c3nn[n-]n3)cc21)C1(c2ccc(Cl)cc2)CC1 ZINC000826426414 607949718 /nfs/dbraw/zinc/94/97/18/607949718.db2.gz MKZXQDAIDBEWPX-UHFFFAOYSA-N -1 3 365.824 3.141 20 0 FGADHM C[C@H](OC(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1)c1ccncc1 ZINC000824723678 607959278 /nfs/dbraw/zinc/95/92/78/607959278.db2.gz UCNZGNDFCJBXIZ-VIFPVBQESA-N -1 3 363.299 3.199 20 0 FGADHM C[C@H](OC(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1)c1ccncc1 ZINC000824723678 607959279 /nfs/dbraw/zinc/95/92/79/607959279.db2.gz UCNZGNDFCJBXIZ-VIFPVBQESA-N -1 3 363.299 3.199 20 0 FGADHM CCc1c(NC(=O)Nc2cccc(-c3nnn[n-]3)c2C)cnn1CC(C)C ZINC000825694127 607961552 /nfs/dbraw/zinc/96/15/52/607961552.db2.gz KZXNMVLTMRQRSP-UHFFFAOYSA-N -1 3 368.445 3.234 20 0 FGADHM CCc1c(NC(=O)Nc2cccc(-c3nn[n-]n3)c2C)cnn1CC(C)C ZINC000825694127 607961553 /nfs/dbraw/zinc/96/15/53/607961553.db2.gz KZXNMVLTMRQRSP-UHFFFAOYSA-N -1 3 368.445 3.234 20 0 FGADHM Cc1sc(NC(=O)C=Cc2ccnc(Cl)c2)c(-c2nnn[n-]2)c1C ZINC000826349355 607962623 /nfs/dbraw/zinc/96/26/23/607962623.db2.gz FNZQALVWLRXAGA-ARJAWSKDSA-N -1 3 360.830 3.245 20 0 FGADHM Cc1sc(NC(=O)C=Cc2ccnc(Cl)c2)c(-c2nn[n-]n2)c1C ZINC000826349355 607962624 /nfs/dbraw/zinc/96/26/24/607962624.db2.gz FNZQALVWLRXAGA-ARJAWSKDSA-N -1 3 360.830 3.245 20 0 FGADHM C[C@@H](NC(=O)c1cnc2ccc(F)cc2c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824520714 607969354 /nfs/dbraw/zinc/96/93/54/607969354.db2.gz BXIXQHDGRNAWBJ-LLVKDONJSA-N -1 3 362.368 3.045 20 0 FGADHM C[C@@H](NC(=O)c1cnc2ccc(F)cc2c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824520714 607969355 /nfs/dbraw/zinc/96/93/55/607969355.db2.gz BXIXQHDGRNAWBJ-LLVKDONJSA-N -1 3 362.368 3.045 20 0 FGADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1-c1ccc(N(C)C)c(F)c1 ZINC000825782882 607975271 /nfs/dbraw/zinc/97/52/71/607975271.db2.gz TTYZYOBAWGQDTJ-UHFFFAOYSA-N -1 3 351.389 3.108 20 0 FGADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1ccc(N(C)C)c(F)c1 ZINC000825782882 607975272 /nfs/dbraw/zinc/97/52/72/607975272.db2.gz TTYZYOBAWGQDTJ-UHFFFAOYSA-N -1 3 351.389 3.108 20 0 FGADHM COc1ccc(CS[C@@H](C)C(=O)Nc2ccccc2)cc1-c1nnn[n-]1 ZINC000826207644 607984654 /nfs/dbraw/zinc/98/46/54/607984654.db2.gz WPEWREFAKFVEIB-LBPRGKRZSA-N -1 3 369.450 3.136 20 0 FGADHM COc1ccc(CS[C@@H](C)C(=O)Nc2ccccc2)cc1-c1nn[n-]n1 ZINC000826207644 607984655 /nfs/dbraw/zinc/98/46/55/607984655.db2.gz WPEWREFAKFVEIB-LBPRGKRZSA-N -1 3 369.450 3.136 20 0 FGADHM C[C@H](NC(=O)N1CCCC12CCCCC2)c1ccc(-c2nnn[n-]2)cc1 ZINC000824489044 607986832 /nfs/dbraw/zinc/98/68/32/607986832.db2.gz IFQQAZVJPZJAJF-AWEZNQCLSA-N -1 3 354.458 3.436 20 0 FGADHM C[C@H](NC(=O)N1CCCC12CCCCC2)c1ccc(-c2nn[n-]n2)cc1 ZINC000824489044 607986833 /nfs/dbraw/zinc/98/68/33/607986833.db2.gz IFQQAZVJPZJAJF-AWEZNQCLSA-N -1 3 354.458 3.436 20 0 FGADHM COc1cc(C(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)ccc1Cl ZINC000826177773 607989939 /nfs/dbraw/zinc/98/99/39/607989939.db2.gz UURICWDHDRHGMO-SNVBAGLBSA-N -1 3 358.785 3.447 20 0 FGADHM COc1cc(C(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)ccc1Cl ZINC000826177773 607989940 /nfs/dbraw/zinc/98/99/40/607989940.db2.gz UURICWDHDRHGMO-SNVBAGLBSA-N -1 3 358.785 3.447 20 0 FGADHM Cc1cc(N[C@H](C)c2ccc[nH]2)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000826270928 608017302 /nfs/dbraw/zinc/01/73/02/608017302.db2.gz UVGIZVXLXNKVLE-GFCCVEGCSA-N -1 3 358.409 3.477 20 0 FGADHM Cc1cc(N[C@H](C)c2ccc[nH]2)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC000826270928 608017303 /nfs/dbraw/zinc/01/73/03/608017303.db2.gz UVGIZVXLXNKVLE-GFCCVEGCSA-N -1 3 358.409 3.477 20 0 FGADHM Fc1cc(F)c2ncc(-c3nnn[n-]3)c(N3CCc4ccsc4C3)c2c1 ZINC000826372601 608019014 /nfs/dbraw/zinc/01/90/14/608019014.db2.gz DYGABXDLNAXAPP-UHFFFAOYSA-N -1 3 370.388 3.317 20 0 FGADHM Fc1cc(F)c2ncc(-c3nn[n-]n3)c(N3CCc4ccsc4C3)c2c1 ZINC000826372601 608019015 /nfs/dbraw/zinc/01/90/15/608019015.db2.gz DYGABXDLNAXAPP-UHFFFAOYSA-N -1 3 370.388 3.317 20 0 FGADHM CS[C@H]1CC[C@H](Nc2ccc(-c3nn[n-]n3)cc2Br)C1 ZINC000826227531 608050781 /nfs/dbraw/zinc/05/07/81/608050781.db2.gz SPLUIDGIGUSWBU-UWVGGRQHSA-N -1 3 354.277 3.325 20 0 FGADHM C[C@@H](c1ccccc1F)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824772979 608068461 /nfs/dbraw/zinc/06/84/61/608068461.db2.gz XKDJBLPFYGSZSF-SCLBCKFNSA-N -1 3 353.401 3.140 20 0 FGADHM C[C@@H](c1ccccc1F)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824772979 608068462 /nfs/dbraw/zinc/06/84/62/608068462.db2.gz XKDJBLPFYGSZSF-SCLBCKFNSA-N -1 3 353.401 3.140 20 0 FGADHM Cc1c(Cl)cc(F)c(NC(=O)Cc2cccc(-c3nnn[n-]3)c2)c1F ZINC000826236398 608074054 /nfs/dbraw/zinc/07/40/54/608074054.db2.gz KLXGEQYLPYCHMD-UHFFFAOYSA-N -1 3 363.755 3.288 20 0 FGADHM Cc1c(Cl)cc(F)c(NC(=O)Cc2cccc(-c3nn[n-]n3)c2)c1F ZINC000826236398 608074055 /nfs/dbraw/zinc/07/40/55/608074055.db2.gz KLXGEQYLPYCHMD-UHFFFAOYSA-N -1 3 363.755 3.288 20 0 FGADHM C[C@H](Oc1ccc(Cl)cc1F)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000824737111 608078651 /nfs/dbraw/zinc/07/86/51/608078651.db2.gz BWVKJFXFODVHEX-VIFPVBQESA-N -1 3 361.764 3.065 20 0 FGADHM C[C@H](Oc1ccc(Cl)cc1F)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000824737111 608078652 /nfs/dbraw/zinc/07/86/52/608078652.db2.gz BWVKJFXFODVHEX-VIFPVBQESA-N -1 3 361.764 3.065 20 0 FGADHM OCCCCCCNc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826509854 608095384 /nfs/dbraw/zinc/09/53/84/608095384.db2.gz MYVWSFJLCSMRRQ-UHFFFAOYSA-N -1 3 367.453 3.410 20 0 FGADHM OCCCCCCNc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826509854 608095385 /nfs/dbraw/zinc/09/53/85/608095385.db2.gz MYVWSFJLCSMRRQ-UHFFFAOYSA-N -1 3 367.453 3.410 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)NC1(c2ccc(F)cc2F)CCC1 ZINC000826452187 608100611 /nfs/dbraw/zinc/10/06/11/608100611.db2.gz KLOYGJSEECTIMA-UHFFFAOYSA-N -1 3 370.363 3.346 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)NC1(c2ccc(F)cc2F)CCC1 ZINC000826452187 608100612 /nfs/dbraw/zinc/10/06/12/608100612.db2.gz KLOYGJSEECTIMA-UHFFFAOYSA-N -1 3 370.363 3.346 20 0 FGADHM COc1cc(NCc2cc(-c3nnn[n-]3)cs2)c(OC)cc1Cl ZINC000826180379 608100932 /nfs/dbraw/zinc/10/09/32/608100932.db2.gz FBQRHVNALXYMHX-UHFFFAOYSA-N -1 3 351.819 3.211 20 0 FGADHM COc1cc(NCc2cc(-c3nn[n-]n3)cs2)c(OC)cc1Cl ZINC000826180379 608100933 /nfs/dbraw/zinc/10/09/33/608100933.db2.gz FBQRHVNALXYMHX-UHFFFAOYSA-N -1 3 351.819 3.211 20 0 FGADHM CCC[C@H](C(=O)OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)C(C)C ZINC000825224688 608117085 /nfs/dbraw/zinc/11/70/85/608117085.db2.gz BHMSTHZIGZKHHD-AWEZNQCLSA-N -1 3 370.413 3.032 20 0 FGADHM CCC[C@H](C(=O)OCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)C(C)C ZINC000825224688 608117086 /nfs/dbraw/zinc/11/70/86/608117086.db2.gz BHMSTHZIGZKHHD-AWEZNQCLSA-N -1 3 370.413 3.032 20 0 FGADHM CC(C)(C)[C@@H]1C[C@@H](Nc2nc3ccccc3cc2-c2nnn[n-]2)CCO1 ZINC000824077985 608149212 /nfs/dbraw/zinc/14/92/12/608149212.db2.gz GVAGXNUMYXKTSS-BBRMVZONSA-N -1 3 352.442 3.421 20 0 FGADHM CC(C)(C)[C@@H]1C[C@@H](Nc2nc3ccccc3cc2-c2nn[n-]n2)CCO1 ZINC000824077985 608149214 /nfs/dbraw/zinc/14/92/14/608149214.db2.gz GVAGXNUMYXKTSS-BBRMVZONSA-N -1 3 352.442 3.421 20 0 FGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)CCCC(F)(F)F ZINC000824319484 608154875 /nfs/dbraw/zinc/15/48/75/608154875.db2.gz SGZIGJAFIMZVJR-UHFFFAOYSA-N -1 3 357.336 3.325 20 0 FGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)CCCC(F)(F)F ZINC000824319484 608154877 /nfs/dbraw/zinc/15/48/77/608154877.db2.gz SGZIGJAFIMZVJR-UHFFFAOYSA-N -1 3 357.336 3.325 20 0 FGADHM C[C@H]1OCC[C@@H]1C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000825015131 608155282 /nfs/dbraw/zinc/15/52/82/608155282.db2.gz ZYUNNTFJBBZPEA-PXAZEXFGSA-N -1 3 365.393 3.023 20 0 FGADHM C[C@H]1OCC[C@@H]1C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825015131 608155284 /nfs/dbraw/zinc/15/52/84/608155284.db2.gz ZYUNNTFJBBZPEA-PXAZEXFGSA-N -1 3 365.393 3.023 20 0 FGADHM CCC[C@H](C(=O)Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000825226253 608155550 /nfs/dbraw/zinc/15/55/50/608155550.db2.gz ZFLNNFQCYREOCK-HNNXBMFYSA-N -1 3 353.430 3.063 20 0 FGADHM Cc1cccc(C2=CCN(C(=O)c3cc(-c4nnn[n-]4)cs3)CC2)c1 ZINC000826297592 608163298 /nfs/dbraw/zinc/16/32/98/608163298.db2.gz MEWCWCZPWJVRIM-UHFFFAOYSA-N -1 3 351.435 3.166 20 0 FGADHM Cc1cccc(C2=CCN(C(=O)c3cc(-c4nn[n-]n4)cs3)CC2)c1 ZINC000826297592 608163299 /nfs/dbraw/zinc/16/32/99/608163299.db2.gz MEWCWCZPWJVRIM-UHFFFAOYSA-N -1 3 351.435 3.166 20 0 FGADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)CCC1CCCC1 ZINC000825788696 608175822 /nfs/dbraw/zinc/17/58/22/608175822.db2.gz UMRZFSZHMNUIDT-UHFFFAOYSA-N -1 3 353.430 3.145 20 0 FGADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)CCC1CCCC1 ZINC000825788696 608175823 /nfs/dbraw/zinc/17/58/23/608175823.db2.gz UMRZFSZHMNUIDT-UHFFFAOYSA-N -1 3 353.430 3.145 20 0 FGADHM CC[C@H](C)[C@@H](O)C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000825061854 608198192 /nfs/dbraw/zinc/19/81/92/608198192.db2.gz ZHMQGEDTQNTGEL-YVEFUNNKSA-N -1 3 367.409 3.005 20 0 FGADHM CC[C@H](C)[C@@H](O)C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000825061854 608198194 /nfs/dbraw/zinc/19/81/94/608198194.db2.gz ZHMQGEDTQNTGEL-YVEFUNNKSA-N -1 3 367.409 3.005 20 0 FGADHM OCC[C@H](Nc1ccc2cc(-c3nnn[n-]3)ccc2n1)C1CCCCC1 ZINC000826509544 608229289 /nfs/dbraw/zinc/22/92/89/608229289.db2.gz YLFRGKLVJBDGEY-KRWDZBQOSA-N -1 3 352.442 3.158 20 0 FGADHM OCC[C@H](Nc1ccc2cc(-c3nn[n-]n3)ccc2n1)C1CCCCC1 ZINC000826509544 608229290 /nfs/dbraw/zinc/22/92/90/608229290.db2.gz YLFRGKLVJBDGEY-KRWDZBQOSA-N -1 3 352.442 3.158 20 0 FGADHM O[C@H](c1ccccc1)C1(CNc2ccc3cc(-c4nnn[n-]4)ccc3n2)CC1 ZINC000826505143 608234756 /nfs/dbraw/zinc/23/47/56/608234756.db2.gz NRPBNQLMJFPWKT-LJQANCHMSA-N -1 3 372.432 3.341 20 0 FGADHM O[C@H](c1ccccc1)C1(CNc2ccc3cc(-c4nn[n-]n4)ccc3n2)CC1 ZINC000826505143 608234757 /nfs/dbraw/zinc/23/47/57/608234757.db2.gz NRPBNQLMJFPWKT-LJQANCHMSA-N -1 3 372.432 3.341 20 0 FGADHM COc1ccc([C@@H](OC)[C@@H](C)Nc2ncc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000826190094 608239715 /nfs/dbraw/zinc/23/97/15/608239715.db2.gz POYVZBQYHBVURW-BMIGLBTASA-N -1 3 374.832 3.112 20 0 FGADHM COc1ccc([C@@H](OC)[C@@H](C)Nc2ncc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000826190094 608239717 /nfs/dbraw/zinc/23/97/17/608239717.db2.gz POYVZBQYHBVURW-BMIGLBTASA-N -1 3 374.832 3.112 20 0 FGADHM Cc1sc(NC(=O)C(F)(F)c2ccccc2F)c(-c2nnn[n-]2)c1C ZINC000826349455 608264847 /nfs/dbraw/zinc/26/48/47/608264847.db2.gz IHNDPUYCVCSVHE-UHFFFAOYSA-N -1 3 367.356 3.415 20 0 FGADHM Cc1sc(NC(=O)C(F)(F)c2ccccc2F)c(-c2nn[n-]n2)c1C ZINC000826349455 608264849 /nfs/dbraw/zinc/26/48/49/608264849.db2.gz IHNDPUYCVCSVHE-UHFFFAOYSA-N -1 3 367.356 3.415 20 0 FGADHM CCCn1ncc(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1C1CC1 ZINC000825362534 608265622 /nfs/dbraw/zinc/26/56/22/608265622.db2.gz NYEVBAISJVBSFN-UHFFFAOYSA-N -1 3 371.832 3.256 20 0 FGADHM CCCn1ncc(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1C1CC1 ZINC000825362534 608265624 /nfs/dbraw/zinc/26/56/24/608265624.db2.gz NYEVBAISJVBSFN-UHFFFAOYSA-N -1 3 371.832 3.256 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)c1c(F)ccc(C)c1F ZINC000825609390 608266993 /nfs/dbraw/zinc/26/69/93/608266993.db2.gz LWQSTXZHVHYMGM-UHFFFAOYSA-N -1 3 360.320 3.071 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)c1c(F)ccc(C)c1F ZINC000825609390 608266995 /nfs/dbraw/zinc/26/69/95/608266995.db2.gz LWQSTXZHVHYMGM-UHFFFAOYSA-N -1 3 360.320 3.071 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)C=C1CCSCC1 ZINC000825333438 608275949 /nfs/dbraw/zinc/27/59/49/608275949.db2.gz YDPTVXQJIPXSAI-UHFFFAOYSA-N -1 3 358.471 3.081 20 0 FGADHM Fc1ccc2c(c1)[C@@H](Nc1nc3c(cc1-c1nnn[n-]1)CCCC3)CC2 ZINC000826376197 608285418 /nfs/dbraw/zinc/28/54/18/608285418.db2.gz SMEWDZOFLTXXIA-KRWDZBQOSA-N -1 3 350.401 3.379 20 0 FGADHM Fc1ccc2c(c1)[C@@H](Nc1nc3c(cc1-c1nn[n-]n1)CCCC3)CC2 ZINC000826376197 608285420 /nfs/dbraw/zinc/28/54/20/608285420.db2.gz SMEWDZOFLTXXIA-KRWDZBQOSA-N -1 3 350.401 3.379 20 0 FGADHM CC(C)(CNc1nc2c(cc1-c1nnn[n-]1)CCCC2)[C@@H]1CCCCO1 ZINC000824163046 608296057 /nfs/dbraw/zinc/29/60/57/608296057.db2.gz XBQUXHDMIWYFTC-INIZCTEOSA-N -1 3 356.474 3.148 20 0 FGADHM CC(C)(CNc1nc2c(cc1-c1nn[n-]n1)CCCC2)[C@@H]1CCCCO1 ZINC000824163046 608296059 /nfs/dbraw/zinc/29/60/59/608296059.db2.gz XBQUXHDMIWYFTC-INIZCTEOSA-N -1 3 356.474 3.148 20 0 FGADHM c1c2c(nc(N[C@H]3CCOC4(CCCCC4)C3)c1-c1nnn[n-]1)CCCC2 ZINC000826511921 608299039 /nfs/dbraw/zinc/29/90/39/608299039.db2.gz JMPGKMNUBCEXAC-HNNXBMFYSA-N -1 3 368.485 3.434 20 0 FGADHM c1c2c(nc(N[C@H]3CCOC4(CCCCC4)C3)c1-c1nn[n-]n1)CCCC2 ZINC000826511921 608299041 /nfs/dbraw/zinc/29/90/41/608299041.db2.gz JMPGKMNUBCEXAC-HNNXBMFYSA-N -1 3 368.485 3.434 20 0 FGADHM CC[C@@H](CSC)N(C)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000825121528 608302169 /nfs/dbraw/zinc/30/21/69/608302169.db2.gz SINXORXVGLQGSR-LBPRGKRZSA-N -1 3 365.507 3.029 20 0 FGADHM CC[C@@H](CSC)N(C)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000825121528 608302171 /nfs/dbraw/zinc/30/21/71/608302171.db2.gz SINXORXVGLQGSR-LBPRGKRZSA-N -1 3 365.507 3.029 20 0 FGADHM CSc1cc(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)ccc1F ZINC000826229684 608306353 /nfs/dbraw/zinc/30/63/53/608306353.db2.gz NBCVQLGXRSXMGX-JTQLQIEISA-N -1 3 357.414 3.219 20 0 FGADHM CSc1cc(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)ccc1F ZINC000826229684 608306354 /nfs/dbraw/zinc/30/63/54/608306354.db2.gz NBCVQLGXRSXMGX-JTQLQIEISA-N -1 3 357.414 3.219 20 0 FGADHM Cc1ccc(F)c(C(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)c1F ZINC000826289328 608307946 /nfs/dbraw/zinc/30/79/46/608307946.db2.gz VXIFWZISSVBMCT-UHFFFAOYSA-N -1 3 373.363 3.493 20 0 FGADHM Cc1ccc(F)c(C(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)c1F ZINC000826289328 608307947 /nfs/dbraw/zinc/30/79/47/608307947.db2.gz VXIFWZISSVBMCT-UHFFFAOYSA-N -1 3 373.363 3.493 20 0 FGADHM Cc1nn(-c2ccccc2)c(CN2Cc3ccccc3[C@H]2C)c1-c1nnn[n-]1 ZINC000826331920 608314731 /nfs/dbraw/zinc/31/47/31/608314731.db2.gz CZBKYRKYXUEWAX-OAHLLOKOSA-N -1 3 371.448 3.438 20 0 FGADHM Cc1nn(-c2ccccc2)c(CN2Cc3ccccc3[C@H]2C)c1-c1nn[n-]n1 ZINC000826331920 608314733 /nfs/dbraw/zinc/31/47/33/608314733.db2.gz CZBKYRKYXUEWAX-OAHLLOKOSA-N -1 3 371.448 3.438 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N[C@@H]1CCCc2cc(F)ccc21 ZINC000826401504 608315414 /nfs/dbraw/zinc/31/54/14/608315414.db2.gz AMOOOUOKRDIGEU-VEGGFIAOSA-N -1 3 363.396 3.213 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N[C@@H]1CCCc2cc(F)ccc21 ZINC000826401504 608315416 /nfs/dbraw/zinc/31/54/16/608315416.db2.gz AMOOOUOKRDIGEU-VEGGFIAOSA-N -1 3 363.396 3.213 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1CNc1ccc(C)c(OC(F)F)c1 ZINC000826170808 608320828 /nfs/dbraw/zinc/32/08/28/608320828.db2.gz PVZBEOBOHJANBC-UHFFFAOYSA-N -1 3 361.352 3.397 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1CNc1ccc(C)c(OC(F)F)c1 ZINC000826170808 608320830 /nfs/dbraw/zinc/32/08/30/608320830.db2.gz PVZBEOBOHJANBC-UHFFFAOYSA-N -1 3 361.352 3.397 20 0 FGADHM CCN(C(=O)[C@H]1COc2ccccc21)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825366998 608343692 /nfs/dbraw/zinc/34/36/92/608343692.db2.gz HWPUVOLEXDYFNF-AWEZNQCLSA-N -1 3 369.812 3.049 20 0 FGADHM CCN(C(=O)[C@H]1COc2ccccc21)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825366998 608343694 /nfs/dbraw/zinc/34/36/94/608343694.db2.gz HWPUVOLEXDYFNF-AWEZNQCLSA-N -1 3 369.812 3.049 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)c1cccc(C(F)F)c1 ZINC000826172387 608351804 /nfs/dbraw/zinc/35/18/04/608351804.db2.gz CLBQZNZXUOEXQF-UHFFFAOYSA-N -1 3 360.320 3.170 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)c1cccc(C(F)F)c1 ZINC000826172387 608351805 /nfs/dbraw/zinc/35/18/05/608351805.db2.gz CLBQZNZXUOEXQF-UHFFFAOYSA-N -1 3 360.320 3.170 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1N1CCC(c2c[nH]c3ncccc23)CC1 ZINC000826372203 608374752 /nfs/dbraw/zinc/37/47/52/608374752.db2.gz MIZZUGKEYTYXCK-UHFFFAOYSA-N -1 3 363.400 3.266 20 0 FGADHM O=C(NCCC1CCCC1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826436133 608392537 /nfs/dbraw/zinc/39/25/37/608392537.db2.gz JLHTYNOTBZBKGH-UHFFFAOYSA-N -1 3 366.469 3.246 20 0 FGADHM O=C(NCCC1CCCC1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826436133 608392539 /nfs/dbraw/zinc/39/25/39/608392539.db2.gz JLHTYNOTBZBKGH-UHFFFAOYSA-N -1 3 366.469 3.246 20 0 FGADHM Fc1c(CSCCOCCOc2ccccc2)cccc1-c1nnn[n-]1 ZINC000826370842 608404866 /nfs/dbraw/zinc/40/48/66/608404866.db2.gz JLDRJLQWORXLPY-UHFFFAOYSA-N -1 3 374.441 3.335 20 0 FGADHM Fc1c(CSCCOCCOc2ccccc2)cccc1-c1nn[n-]n1 ZINC000826370842 608404869 /nfs/dbraw/zinc/40/48/69/608404869.db2.gz JLDRJLQWORXLPY-UHFFFAOYSA-N -1 3 374.441 3.335 20 0 FGADHM CC(C)C[C@H](C)NC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824228026 608425302 /nfs/dbraw/zinc/42/53/02/608425302.db2.gz DIWVAHIBLLGVAF-AWEZNQCLSA-N -1 3 354.458 3.100 20 0 FGADHM CC(C)C[C@H](C)NC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824228026 608425303 /nfs/dbraw/zinc/42/53/03/608425303.db2.gz DIWVAHIBLLGVAF-AWEZNQCLSA-N -1 3 354.458 3.100 20 0 FGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)c1cccc(C(F)(F)F)c1 ZINC000826466634 608437155 /nfs/dbraw/zinc/43/71/55/608437155.db2.gz MRMVRLPJMBBKRU-UHFFFAOYSA-N -1 3 366.274 3.382 20 0 FGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)c1cccc(C(F)(F)F)c1 ZINC000826466634 608437156 /nfs/dbraw/zinc/43/71/56/608437156.db2.gz MRMVRLPJMBBKRU-UHFFFAOYSA-N -1 3 366.274 3.382 20 0 FGADHM Cc1ccc2ncnc(N3CC=C(c4ccc(-c5nnn[n-]5)cc4)CC3)c2c1 ZINC000826295485 608442136 /nfs/dbraw/zinc/44/21/36/608442136.db2.gz JBOREUVXSZHSQA-UHFFFAOYSA-N -1 3 369.432 3.412 20 0 FGADHM Cc1ccc2ncnc(N3CC=C(c4ccc(-c5nn[n-]n5)cc4)CC3)c2c1 ZINC000826295485 608442137 /nfs/dbraw/zinc/44/21/37/608442137.db2.gz JBOREUVXSZHSQA-UHFFFAOYSA-N -1 3 369.432 3.412 20 0 FGADHM CC(C)(Cc1ccccc1)C(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000824162882 608447555 /nfs/dbraw/zinc/44/75/55/608447555.db2.gz SNTQXTXNPGFTJO-UHFFFAOYSA-N -1 3 354.385 3.318 20 0 FGADHM CC(C)(Cc1ccccc1)C(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000824162882 608447557 /nfs/dbraw/zinc/44/75/57/608447557.db2.gz SNTQXTXNPGFTJO-UHFFFAOYSA-N -1 3 354.385 3.318 20 0 FGADHM Cc1cccc2c(CC(=O)OCc3cccc(-c4nnn[n-]4)c3F)c[nH]c21 ZINC000826304813 608450003 /nfs/dbraw/zinc/45/00/03/608450003.db2.gz ZLSLSIXXKOIDJG-UHFFFAOYSA-N -1 3 365.368 3.081 20 0 FGADHM Cc1cccc2c(CC(=O)OCc3cccc(-c4nn[n-]n4)c3F)c[nH]c21 ZINC000826304813 608450004 /nfs/dbraw/zinc/45/00/04/608450004.db2.gz ZLSLSIXXKOIDJG-UHFFFAOYSA-N -1 3 365.368 3.081 20 0 FGADHM C[C@H](OC(=O)CCC(=O)c1cccc(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824712762 608452588 /nfs/dbraw/zinc/45/25/88/608452588.db2.gz CUSMLQGCEWUOMQ-LBPRGKRZSA-N -1 3 368.368 3.273 20 0 FGADHM C[C@H](OC(=O)CCC(=O)c1cccc(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824712762 608452591 /nfs/dbraw/zinc/45/25/91/608452591.db2.gz CUSMLQGCEWUOMQ-LBPRGKRZSA-N -1 3 368.368 3.273 20 0 FGADHM O=C(Nc1ccccc1F)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826457604 608469918 /nfs/dbraw/zinc/46/99/18/608469918.db2.gz ISSVDFILKNTWGV-UHFFFAOYSA-N -1 3 364.384 3.327 20 0 FGADHM O=C(Nc1ccccc1F)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826457604 608469919 /nfs/dbraw/zinc/46/99/19/608469919.db2.gz ISSVDFILKNTWGV-UHFFFAOYSA-N -1 3 364.384 3.327 20 0 FGADHM C[C@H]1CCC[C@@H](C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)C1 ZINC000824928179 608481310 /nfs/dbraw/zinc/48/13/10/608481310.db2.gz RYXIRGNMDSURPF-KBXCAEBGSA-N -1 3 351.454 3.309 20 0 FGADHM C[C@H]1CCC[C@@H](C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC000824928179 608481311 /nfs/dbraw/zinc/48/13/11/608481311.db2.gz RYXIRGNMDSURPF-KBXCAEBGSA-N -1 3 351.454 3.309 20 0 FGADHM C[C@H]1CC[C@@H](CC(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)C1 ZINC000824909435 608484228 /nfs/dbraw/zinc/48/42/28/608484228.db2.gz TWZWDDSQRBQGKD-LSDHHAIUSA-N -1 3 351.454 3.309 20 0 FGADHM C[C@H]1CC[C@@H](CC(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC000824909435 608484230 /nfs/dbraw/zinc/48/42/30/608484230.db2.gz TWZWDDSQRBQGKD-LSDHHAIUSA-N -1 3 351.454 3.309 20 0 FGADHM CCC1(C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)CCCC1 ZINC000825159027 608486069 /nfs/dbraw/zinc/48/60/69/608486069.db2.gz HNWPIBVLKCSKGK-UHFFFAOYSA-N -1 3 351.454 3.453 20 0 FGADHM CCC1(C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)CCCC1 ZINC000825159027 608486070 /nfs/dbraw/zinc/48/60/70/608486070.db2.gz HNWPIBVLKCSKGK-UHFFFAOYSA-N -1 3 351.454 3.453 20 0 FGADHM OC1(COc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)CCCC1 ZINC000826506197 608490966 /nfs/dbraw/zinc/49/09/66/608490966.db2.gz OQDCCBNFCYHNSI-UHFFFAOYSA-N -1 3 352.394 3.343 20 0 FGADHM OC1(COc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)CCCC1 ZINC000826506197 608490967 /nfs/dbraw/zinc/49/09/67/608490967.db2.gz OQDCCBNFCYHNSI-UHFFFAOYSA-N -1 3 352.394 3.343 20 0 FGADHM CN(Cc1ccc(-c2nnn[n-]2)s1)Cc1ccccc1Br ZINC000825965992 608498025 /nfs/dbraw/zinc/49/80/25/608498025.db2.gz JIFCDXNVOKGBNU-UHFFFAOYSA-N -1 3 364.272 3.323 20 0 FGADHM CN(Cc1ccc(-c2nn[n-]n2)s1)Cc1ccccc1Br ZINC000825965992 608498026 /nfs/dbraw/zinc/49/80/26/608498026.db2.gz JIFCDXNVOKGBNU-UHFFFAOYSA-N -1 3 364.272 3.323 20 0 FGADHM CCCn1c(CN(C)Cc2cccc(-c3nn[n-]n3)c2)nc2ccccc21 ZINC000825356814 608520812 /nfs/dbraw/zinc/52/08/12/608520812.db2.gz LBIWEZGZYIRUNL-UHFFFAOYSA-N -1 3 361.453 3.258 20 0 FGADHM CCN(Cc1cnc2ccc(-c3nnn[n-]3)cn12)Cc1ccccc1Cl ZINC000825439549 608532150 /nfs/dbraw/zinc/53/21/50/608532150.db2.gz FCDXBSOBJMDNGZ-UHFFFAOYSA-N -1 3 367.844 3.190 20 0 FGADHM CCN(Cc1cnc2ccc(-c3nn[n-]n3)cn12)Cc1ccccc1Cl ZINC000825439549 608532152 /nfs/dbraw/zinc/53/21/52/608532152.db2.gz FCDXBSOBJMDNGZ-UHFFFAOYSA-N -1 3 367.844 3.190 20 0 FGADHM C[C@@H]1CCC[C@H](CNc2ccc(N3CCC(O)CC3)c(-c3nnn[n-]3)c2)C1 ZINC000824929105 608566587 /nfs/dbraw/zinc/56/65/87/608566587.db2.gz VWRWDDSXRTZEAJ-CABCVRRESA-N -1 3 370.501 3.066 20 0 FGADHM C[C@@H]1CCC[C@H](CNc2ccc(N3CCC(O)CC3)c(-c3nn[n-]n3)c2)C1 ZINC000824929105 608566588 /nfs/dbraw/zinc/56/65/88/608566588.db2.gz VWRWDDSXRTZEAJ-CABCVRRESA-N -1 3 370.501 3.066 20 0 FGADHM Clc1ccccc1-n1cc(NCc2cccc(-c3nnn[n-]3)c2)cn1 ZINC000826353296 608568639 /nfs/dbraw/zinc/56/86/39/608568639.db2.gz JMBSCYAOSNGBLA-UHFFFAOYSA-N -1 3 351.801 3.318 20 0 FGADHM Clc1ccccc1-n1cc(NCc2cccc(-c3nn[n-]n3)c2)cn1 ZINC000826353296 608568640 /nfs/dbraw/zinc/56/86/40/608568640.db2.gz JMBSCYAOSNGBLA-UHFFFAOYSA-N -1 3 351.801 3.318 20 0 FGADHM C[C@H](CC(=O)Nc1nc2c(cc1-c1nnn[n-]1)CCCC2)c1ccccc1 ZINC000824385046 608569906 /nfs/dbraw/zinc/56/99/06/608569906.db2.gz KLMXNOHCZKYETI-CYBMUJFWSA-N -1 3 362.437 3.273 20 0 FGADHM C[C@H](CC(=O)Nc1nc2c(cc1-c1nn[n-]n1)CCCC2)c1ccccc1 ZINC000824385046 608569908 /nfs/dbraw/zinc/56/99/08/608569908.db2.gz KLMXNOHCZKYETI-CYBMUJFWSA-N -1 3 362.437 3.273 20 0 FGADHM Fc1c(CN(Cc2cccs2)C[C@H]2CCCO2)cccc1-c1nnn[n-]1 ZINC000826370138 608645845 /nfs/dbraw/zinc/64/58/45/608645845.db2.gz FNQZNBQXDQZSTH-CQSZACIVSA-N -1 3 373.457 3.249 20 0 FGADHM Fc1c(CN(Cc2cccs2)C[C@H]2CCCO2)cccc1-c1nn[n-]n1 ZINC000826370138 608645848 /nfs/dbraw/zinc/64/58/48/608645848.db2.gz FNQZNBQXDQZSTH-CQSZACIVSA-N -1 3 373.457 3.249 20 0 FGADHM CC1(C)CO[C@H](c2ccccc2)CN1Cc1cc(-c2nnn[n-]2)cs1 ZINC000824812465 608674192 /nfs/dbraw/zinc/67/41/92/608674192.db2.gz NGBXOZGCUANKST-INIZCTEOSA-N -1 3 355.467 3.280 20 0 FGADHM CC1(C)CO[C@H](c2ccccc2)CN1Cc1cc(-c2nn[n-]n2)cs1 ZINC000824812465 608674193 /nfs/dbraw/zinc/67/41/93/608674193.db2.gz NGBXOZGCUANKST-INIZCTEOSA-N -1 3 355.467 3.280 20 0 FGADHM C[C@@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825014117 608824978 /nfs/dbraw/zinc/82/49/78/608824978.db2.gz TWNSTISQTXJXFR-NEPJUHHUSA-N -1 3 351.385 3.154 20 0 FGADHM C[C@@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825014117 608824981 /nfs/dbraw/zinc/82/49/81/608824981.db2.gz TWNSTISQTXJXFR-NEPJUHHUSA-N -1 3 351.385 3.154 20 0 FGADHM C/C(=C/c1ccccc1)CN1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000823943392 608851679 /nfs/dbraw/zinc/85/16/79/608851679.db2.gz PNZMWOAJWXPOJE-WNJRYGEDSA-N -1 3 361.449 3.344 20 0 FGADHM Fc1c(Cl)cccc1CN1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826371708 608854604 /nfs/dbraw/zinc/85/46/04/608854604.db2.gz QOVMCNOUIZOCKQ-MRXNPFEDSA-N -1 3 373.819 3.233 20 0 FGADHM Fc1c(Cl)cccc1CN1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826371708 608854606 /nfs/dbraw/zinc/85/46/06/608854606.db2.gz QOVMCNOUIZOCKQ-MRXNPFEDSA-N -1 3 373.819 3.233 20 0 FGADHM c1cc(NCc2ccc(OC[C@@H]3CCCO3)cc2)cc(-c2nnn[n-]2)c1 ZINC000826517227 608869991 /nfs/dbraw/zinc/86/99/91/608869991.db2.gz VOPWDVFJJUIFAK-SFHVURJKSA-N -1 3 351.410 3.037 20 0 FGADHM c1cc(NCc2ccc(OC[C@@H]3CCCO3)cc2)cc(-c2nn[n-]n2)c1 ZINC000826517227 608869994 /nfs/dbraw/zinc/86/99/94/608869994.db2.gz VOPWDVFJJUIFAK-SFHVURJKSA-N -1 3 351.410 3.037 20 0 FGADHM CCc1ccc([C@@H](COC)N[C@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)o1 ZINC000825704053 609146967 /nfs/dbraw/zinc/14/69/67/609146967.db2.gz BWHDANWCJDCURG-BDJLRTHQSA-N -1 3 359.405 3.200 20 0 FGADHM CCc1ccc([C@@H](COC)N[C@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)o1 ZINC000825704053 609146970 /nfs/dbraw/zinc/14/69/70/609146970.db2.gz BWHDANWCJDCURG-BDJLRTHQSA-N -1 3 359.405 3.200 20 0 FGADHM C[C@H](NCc1c(F)c(F)cc(F)c1F)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824605773 609151796 /nfs/dbraw/zinc/15/17/96/609151796.db2.gz LBOQNXNXPIEEPI-ZETCQYMHSA-N -1 3 369.297 3.413 20 0 FGADHM C[C@H](NCc1c(F)c(F)cc(F)c1F)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824605773 609151798 /nfs/dbraw/zinc/15/17/98/609151798.db2.gz LBOQNXNXPIEEPI-ZETCQYMHSA-N -1 3 369.297 3.413 20 0 FGADHM C[C@@H](N[C@@H]1COc2ccc(Cl)cc21)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824553823 609152745 /nfs/dbraw/zinc/15/27/45/609152745.db2.gz IPMPAVSFYRZMDS-RFAUZJTJSA-N -1 3 359.792 3.444 20 0 FGADHM C[C@@H](N[C@@H]1COc2ccc(Cl)cc21)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824553823 609152748 /nfs/dbraw/zinc/15/27/48/609152748.db2.gz IPMPAVSFYRZMDS-RFAUZJTJSA-N -1 3 359.792 3.444 20 0 FGADHM O=C1CCCN1c1cccc(N[C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)c1 ZINC000826480769 609163149 /nfs/dbraw/zinc/16/31/49/609163149.db2.gz PMDFPLXJBCWJGL-IBGZPJMESA-N -1 3 374.448 3.483 20 0 FGADHM O=C1CCCN1c1cccc(N[C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)c1 ZINC000826480769 609163151 /nfs/dbraw/zinc/16/31/51/609163151.db2.gz PMDFPLXJBCWJGL-IBGZPJMESA-N -1 3 374.448 3.483 20 0 FGADHM CC(=O)Nc1cc(N[C@@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)ccc1C ZINC000824000210 609165046 /nfs/dbraw/zinc/16/50/46/609165046.db2.gz ZPMWPGWTIVNFFO-NSHDSACASA-N -1 3 354.389 3.446 20 0 FGADHM CC(=O)Nc1cc(N[C@@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)ccc1C ZINC000824000210 609165047 /nfs/dbraw/zinc/16/50/47/609165047.db2.gz ZPMWPGWTIVNFFO-NSHDSACASA-N -1 3 354.389 3.446 20 0 FGADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2ccnc(O[C@@H](C)CC)c2)s1 ZINC000825694124 609175777 /nfs/dbraw/zinc/17/57/77/609175777.db2.gz KXJYFENGRBBRHD-JTQLQIEISA-N -1 3 372.454 3.315 20 0 FGADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2ccnc(O[C@@H](C)CC)c2)s1 ZINC000825694124 609175779 /nfs/dbraw/zinc/17/57/79/609175779.db2.gz KXJYFENGRBBRHD-JTQLQIEISA-N -1 3 372.454 3.315 20 0 FGADHM C[C@H](Nc1cccc(N2CCOCC2)c1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824663017 609179997 /nfs/dbraw/zinc/17/99/97/609179997.db2.gz UNSUOPARJBIZQM-ZDUSSCGKSA-N -1 3 368.416 3.016 20 0 FGADHM C[C@H](Nc1cccc(N2CCOCC2)c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824663017 609179999 /nfs/dbraw/zinc/17/99/99/609179999.db2.gz UNSUOPARJBIZQM-ZDUSSCGKSA-N -1 3 368.416 3.016 20 0 FGADHM Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)c2c[nH]c(-c3nnn[n-]3)c2)cc1 ZINC000826284827 609216027 /nfs/dbraw/zinc/21/60/27/609216027.db2.gz HJDQEQNSLNXHTQ-DYVFJYSZSA-N -1 3 350.426 3.117 20 0 FGADHM Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)c2c[nH]c(-c3nn[n-]n3)c2)cc1 ZINC000826284827 609216028 /nfs/dbraw/zinc/21/60/28/609216028.db2.gz HJDQEQNSLNXHTQ-DYVFJYSZSA-N -1 3 350.426 3.117 20 0 FGADHM CSc1ccccc1CC(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826230621 609234027 /nfs/dbraw/zinc/23/40/27/609234027.db2.gz BRHHBFLREIGUKN-GFCCVEGCSA-N -1 3 354.435 3.436 20 0 FGADHM CSc1ccccc1CC(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826230621 609234028 /nfs/dbraw/zinc/23/40/28/609234028.db2.gz BRHHBFLREIGUKN-GFCCVEGCSA-N -1 3 354.435 3.436 20 0 FGADHM CC(C)[C@@H]1CCC[C@@H]1Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1 ZINC000824213756 609241483 /nfs/dbraw/zinc/24/14/83/609241483.db2.gz CTSCDCGKGBWNQX-WMZOPIPTSA-N -1 3 370.501 3.064 20 0 FGADHM CC(C)[C@@H]1CCC[C@@H]1Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1 ZINC000824213756 609241484 /nfs/dbraw/zinc/24/14/84/609241484.db2.gz CTSCDCGKGBWNQX-WMZOPIPTSA-N -1 3 370.501 3.064 20 0 FGADHM COCCc1nc2cc(N[C@H](C)c3cccc(-c4nnn[n-]4)c3)ccc2o1 ZINC000826163092 609242798 /nfs/dbraw/zinc/24/27/98/609242798.db2.gz GDPOLFIRVIAODU-GFCCVEGCSA-N -1 3 364.409 3.370 20 0 FGADHM COCCc1nc2cc(N[C@H](C)c3cccc(-c4nn[n-]n4)c3)ccc2o1 ZINC000826163092 609242799 /nfs/dbraw/zinc/24/27/99/609242799.db2.gz GDPOLFIRVIAODU-GFCCVEGCSA-N -1 3 364.409 3.370 20 0 FGADHM C[C@@]1(C(=O)Oc2ccc(-c3ccc(-c4nnn[n-]4)cc3)cc2)CCCOC1 ZINC000824783752 609267888 /nfs/dbraw/zinc/26/78/88/609267888.db2.gz JTGSRGAUSVLOPK-HXUWFJFHSA-N -1 3 364.405 3.256 20 0 FGADHM C[C@@]1(C(=O)Oc2ccc(-c3ccc(-c4nn[n-]n4)cc3)cc2)CCCOC1 ZINC000824783752 609267890 /nfs/dbraw/zinc/26/78/90/609267890.db2.gz JTGSRGAUSVLOPK-HXUWFJFHSA-N -1 3 364.405 3.256 20 0 FGADHM C[C@H](Nc1cccc(C(=O)NC2CC2)c1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824662196 609273388 /nfs/dbraw/zinc/27/33/88/609273388.db2.gz FODGJLVQAKSGKS-NSHDSACASA-N -1 3 366.400 3.071 20 0 FGADHM C[C@H](Nc1cccc(C(=O)NC2CC2)c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824662196 609273390 /nfs/dbraw/zinc/27/33/90/609273390.db2.gz FODGJLVQAKSGKS-NSHDSACASA-N -1 3 366.400 3.071 20 0 FGADHM CCCNC(=O)c1cccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000825332621 609273819 /nfs/dbraw/zinc/27/38/19/609273819.db2.gz KLLRLFRUBXGFHP-ZDUSSCGKSA-N -1 3 350.426 3.180 20 0 FGADHM CCCNC(=O)c1cccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000825332621 609273820 /nfs/dbraw/zinc/27/38/20/609273820.db2.gz KLLRLFRUBXGFHP-ZDUSSCGKSA-N -1 3 350.426 3.180 20 0 FGADHM C[C@@H](Nc1ccc(N2CCO[C@H](C)C2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824993365 609280170 /nfs/dbraw/zinc/28/01/70/609280170.db2.gz QERRMMXDZZZEAQ-HUUCEWRRSA-N -1 3 364.453 3.265 20 0 FGADHM C[C@@H](Nc1ccc(N2CCO[C@H](C)C2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824993365 609280172 /nfs/dbraw/zinc/28/01/72/609280172.db2.gz QERRMMXDZZZEAQ-HUUCEWRRSA-N -1 3 364.453 3.265 20 0 FGADHM CSc1ccccc1COC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000826231680 609292186 /nfs/dbraw/zinc/29/21/86/609292186.db2.gz VPOMGIQJKUCAHA-LBPRGKRZSA-N -1 3 370.434 3.099 20 0 FGADHM C[C@@H]1OCC[C@@H]1SCc1ccc(-c2nnn[n-]2)cc1Br ZINC000825021693 609312536 /nfs/dbraw/zinc/31/25/36/609312536.db2.gz SWLAFXHVFMBJNP-UFBFGSQYSA-N -1 3 355.261 3.040 20 0 FGADHM C[C@@H]1OCC[C@@H]1SCc1ccc(-c2nn[n-]n2)cc1Br ZINC000825021693 609312537 /nfs/dbraw/zinc/31/25/37/609312537.db2.gz SWLAFXHVFMBJNP-UFBFGSQYSA-N -1 3 355.261 3.040 20 0 FGADHM O=C(N[C@@H]1CC=CCC1)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826429199 609321251 /nfs/dbraw/zinc/32/12/51/609321251.db2.gz WOZASWNBMXXOLV-CQSZACIVSA-N -1 3 361.405 3.498 20 0 FGADHM O=C(N[C@@H]1CC=CCC1)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826429199 609321252 /nfs/dbraw/zinc/32/12/52/609321252.db2.gz WOZASWNBMXXOLV-CQSZACIVSA-N -1 3 361.405 3.498 20 0 FGADHM Cc1cnc(NC(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)o1 ZINC000826319212 609326095 /nfs/dbraw/zinc/32/60/95/609326095.db2.gz SJZHRCRROOMPGL-UHFFFAOYSA-N -1 3 362.349 3.208 20 0 FGADHM Cc1cnc(NC(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)o1 ZINC000826319212 609326097 /nfs/dbraw/zinc/32/60/97/609326097.db2.gz SJZHRCRROOMPGL-UHFFFAOYSA-N -1 3 362.349 3.208 20 0 FGADHM Cc1ccc(NCc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)cc1F ZINC000826291576 609337287 /nfs/dbraw/zinc/33/72/87/609337287.db2.gz MCOAWLFBLOWYDC-UHFFFAOYSA-N -1 3 363.400 3.327 20 0 FGADHM Cc1ccc(NCc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000826291576 609337289 /nfs/dbraw/zinc/33/72/89/609337289.db2.gz MCOAWLFBLOWYDC-UHFFFAOYSA-N -1 3 363.400 3.327 20 0 FGADHM C[C@H](NCc1c(F)c(F)cc(F)c1F)c1ccc(-c2nnn[n-]2)cc1F ZINC000824607504 609342635 /nfs/dbraw/zinc/34/26/35/609342635.db2.gz ZIETZLVBBZPCMQ-ZETCQYMHSA-N -1 3 369.297 3.413 20 0 FGADHM C[C@H](NCc1c(F)c(F)cc(F)c1F)c1ccc(-c2nn[n-]n2)cc1F ZINC000824607504 609342637 /nfs/dbraw/zinc/34/26/37/609342637.db2.gz ZIETZLVBBZPCMQ-ZETCQYMHSA-N -1 3 369.297 3.413 20 0 FGADHM O=C(N[C@H]1CC=C(c2ccc(F)cc2)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000826429207 609348915 /nfs/dbraw/zinc/34/89/15/609348915.db2.gz WRRNXZQFNOPYCP-SFHVURJKSA-N -1 3 363.396 3.372 20 0 FGADHM O=C(N[C@H]1CC=C(c2ccc(F)cc2)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000826429207 609348917 /nfs/dbraw/zinc/34/89/17/609348917.db2.gz WRRNXZQFNOPYCP-SFHVURJKSA-N -1 3 363.396 3.372 20 0 FGADHM CCNC(=O)c1ccc(C)c(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000825476435 609349658 /nfs/dbraw/zinc/34/96/58/609349658.db2.gz JZEPWSKEOWBXOL-GFCCVEGCSA-N -1 3 368.416 3.237 20 0 FGADHM CCNC(=O)c1ccc(C)c(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000825476435 609349660 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/nfs/dbraw/zinc/44/03/12/609440312.db2.gz CCHGMUWEHUFYOT-UHFFFAOYSA-N -1 3 361.361 3.187 20 0 FGADHM Fc1cc(NC2CSC2)ccc1OCc1cccc(-c2nnn[n-]2)c1 ZINC000826372513 609440300 /nfs/dbraw/zinc/44/03/00/609440300.db2.gz AAENWRAKILBETH-UHFFFAOYSA-N -1 3 357.414 3.112 20 0 FGADHM Fc1cc(NC2CSC2)ccc1OCc1cccc(-c2nn[n-]n2)c1 ZINC000826372513 609440303 /nfs/dbraw/zinc/44/03/03/609440303.db2.gz AAENWRAKILBETH-UHFFFAOYSA-N -1 3 357.414 3.112 20 0 FGADHM Cc1onc(-c2ccccc2)c1C(=O)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000826342850 609440314 /nfs/dbraw/zinc/44/03/14/609440314.db2.gz CCHGMUWEHUFYOT-UHFFFAOYSA-N -1 3 361.361 3.187 20 0 FGADHM CC[C@@H](C)NC(=O)[C@H](C)Sc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000825067245 609452334 /nfs/dbraw/zinc/45/23/34/609452334.db2.gz IWENQTNGFFDILI-BDAKNGLRSA-N -1 3 373.404 3.281 20 0 FGADHM CC[C@@H](C)NC(=O)[C@H](C)Sc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000825067245 609452337 /nfs/dbraw/zinc/45/23/37/609452337.db2.gz IWENQTNGFFDILI-BDAKNGLRSA-N -1 3 373.404 3.281 20 0 FGADHM 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BFVQQHLHGAQEKO-UHFFFAOYSA-N -1 3 356.380 3.357 20 0 FGADHM Fc1cccc(N2CCCC2)c1NCc1cccc(-c2nn[n-]n2)c1F ZINC000826377037 609479076 /nfs/dbraw/zinc/47/90/76/609479076.db2.gz BFVQQHLHGAQEKO-UHFFFAOYSA-N -1 3 356.380 3.357 20 0 FGADHM CC(C)Oc1ccc(NCc2nc3c(s2)CCC3)cc1-c1nnn[n-]1 ZINC000824329640 609492209 /nfs/dbraw/zinc/49/22/09/609492209.db2.gz SYBJICLDETZRHM-UHFFFAOYSA-N -1 3 356.455 3.211 20 0 FGADHM CC(C)Oc1ccc(NCc2nc3c(s2)CCC3)cc1-c1nn[n-]n1 ZINC000824329640 609492211 /nfs/dbraw/zinc/49/22/11/609492211.db2.gz SYBJICLDETZRHM-UHFFFAOYSA-N -1 3 356.455 3.211 20 0 FGADHM CC[C@H](C)CCCCC(=O)N(CCOC)c1ccc(-c2nnn[n-]2)cc1 ZINC000825059497 609501893 /nfs/dbraw/zinc/50/18/93/609501893.db2.gz FZROFARQEUQJNX-HNNXBMFYSA-N -1 3 359.474 3.453 20 0 FGADHM CC[C@H](C)CCCCC(=O)N(CCOC)c1ccc(-c2nn[n-]n2)cc1 ZINC000825059497 609501894 /nfs/dbraw/zinc/50/18/94/609501894.db2.gz FZROFARQEUQJNX-HNNXBMFYSA-N -1 3 359.474 3.453 20 0 FGADHM Cc1ccncc1C=CC(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000826315872 609511129 /nfs/dbraw/zinc/51/11/29/609511129.db2.gz XCUFAUDNCFLWRS-DAXSKMNVSA-N -1 3 364.409 3.009 20 0 FGADHM Cc1ccncc1C=CC(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000826315872 609511131 /nfs/dbraw/zinc/51/11/31/609511131.db2.gz XCUFAUDNCFLWRS-DAXSKMNVSA-N -1 3 364.409 3.009 20 0 FGADHM Cc1ccnc(NCc2ccc(Br)cc2F)c1-c1nnn[n-]1 ZINC000826314083 609552024 /nfs/dbraw/zinc/55/20/24/609552024.db2.gz FTRCODOWPUVLIJ-UHFFFAOYSA-N -1 3 363.194 3.084 20 0 FGADHM Cc1ccnc(NCc2ccc(Br)cc2F)c1-c1nn[n-]n1 ZINC000826314083 609552026 /nfs/dbraw/zinc/55/20/26/609552026.db2.gz FTRCODOWPUVLIJ-UHFFFAOYSA-N -1 3 363.194 3.084 20 0 FGADHM C[C@@H]1C[C@@H](C(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)CC(C)(C)C1 ZINC000824865732 609599655 /nfs/dbraw/zinc/59/96/55/609599655.db2.gz JFEOXQIVRQJBAK-UKRRQHHQSA-N -1 3 353.470 3.434 20 0 FGADHM C[C@@H]1C[C@@H](C(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)CC(C)(C)C1 ZINC000824865732 609599657 /nfs/dbraw/zinc/59/96/57/609599657.db2.gz JFEOXQIVRQJBAK-UKRRQHHQSA-N -1 3 353.470 3.434 20 0 FGADHM O=C(CCSC(F)(F)F)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826407971 609614652 /nfs/dbraw/zinc/61/46/52/609614652.db2.gz KLRIQKJYXNYAJN-UHFFFAOYSA-N -1 3 366.752 3.206 20 0 FGADHM O=C(CCSC(F)(F)F)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826407971 609614654 /nfs/dbraw/zinc/61/46/54/609614654.db2.gz KLRIQKJYXNYAJN-UHFFFAOYSA-N -1 3 366.752 3.206 20 0 FGADHM CCc1nc(C)c(C(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)s1 ZINC000825745787 609615757 /nfs/dbraw/zinc/61/57/57/609615757.db2.gz OSLNOWHWSPQVLU-UHFFFAOYSA-N -1 3 363.830 3.204 20 0 FGADHM CCc1nc(C)c(C(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)s1 ZINC000825745787 609615758 /nfs/dbraw/zinc/61/57/58/609615758.db2.gz OSLNOWHWSPQVLU-UHFFFAOYSA-N -1 3 363.830 3.204 20 0 FGADHM Cc1cccc(O[C@H](C)C(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000826300028 609617319 /nfs/dbraw/zinc/61/73/19/609617319.db2.gz FDLNZIQKLABBQM-GFCCVEGCSA-N -1 3 372.812 3.339 20 0 FGADHM Cc1cccc(O[C@H](C)C(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000826300028 609617320 /nfs/dbraw/zinc/61/73/20/609617320.db2.gz FDLNZIQKLABBQM-GFCCVEGCSA-N -1 3 372.812 3.339 20 0 FGADHM O=C(OCc1ccc(Cl)cc1-c1nnn[n-]1)c1ccc2ccccc2n1 ZINC000826465711 609619507 /nfs/dbraw/zinc/61/95/07/609619507.db2.gz YSNGHWUPAIORQM-UHFFFAOYSA-N -1 3 365.780 3.425 20 0 FGADHM O=C(OCc1ccc(Cl)cc1-c1nn[n-]n1)c1ccc2ccccc2n1 ZINC000826465711 609619509 /nfs/dbraw/zinc/61/95/09/609619509.db2.gz YSNGHWUPAIORQM-UHFFFAOYSA-N -1 3 365.780 3.425 20 0 FGADHM CNC(=S)Nc1cc(S(=O)(=O)[N-]c2ccc(C)cc2C)ccc1C ZINC000007505521 695570651 /nfs/dbraw/zinc/57/06/51/695570651.db2.gz RPHYVKMGRZQKGS-UHFFFAOYSA-N -1 3 363.508 3.329 20 0 FGADHM COCCn1c(C)cc(C(=O)COC(=O)c2cc(Cl)c(Cl)[n-]2)c1C ZINC000011809438 695602372 /nfs/dbraw/zinc/60/23/72/695602372.db2.gz VRVOXQZDIWIDBK-UHFFFAOYSA-N -1 3 373.236 3.426 20 0 FGADHM Cc1csc2nc(COC(=O)c3cc(Cl)c(Cl)[n-]3)cc(=O)n12 ZINC000011809913 695602955 /nfs/dbraw/zinc/60/29/55/695602955.db2.gz QLJXXQQLFGBEMW-UHFFFAOYSA-N -1 3 358.206 3.056 20 0 FGADHM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3cccc(Cl)c3F)ccc21 ZINC000015245534 695616968 /nfs/dbraw/zinc/61/69/68/695616968.db2.gz IJBFVQPKBJBSBB-UHFFFAOYSA-N -1 3 368.817 3.189 20 0 FGADHM O=C([N-]NC(=S)NCCc1ccccc1)c1ccc(Cl)cc1Cl ZINC000015873936 695622774 /nfs/dbraw/zinc/62/27/74/695622774.db2.gz ZWTCYWQTTBMNJL-UHFFFAOYSA-N -1 3 368.289 3.345 20 0 FGADHM COCc1ccc(C(=O)O[C@@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)o1 ZINC000016197876 695626628 /nfs/dbraw/zinc/62/66/28/695626628.db2.gz JLXISVIWKFIHSD-VIFPVBQESA-N -1 3 362.407 3.259 20 0 FGADHM CC(C)OCCSc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[n-]1 ZINC000025256043 695674085 /nfs/dbraw/zinc/67/40/85/695674085.db2.gz WEUHIFXUGXESEK-UHFFFAOYSA-N -1 3 364.858 3.279 20 0 FGADHM O=C([N-]n1cnc2sc3c(c2c1=O)CCCC3)c1ccccc1Cl ZINC000027383360 695693311 /nfs/dbraw/zinc/69/33/11/695693311.db2.gz BHJVUSPNBZKMBG-UHFFFAOYSA-N -1 3 359.838 3.374 20 0 FGADHM Cc1ccc(C)c(-n2ccnc2SCC(=O)Nc2ncccc2[O-])c1 ZINC000028024520 695699338 /nfs/dbraw/zinc/69/93/38/695699338.db2.gz WMLMYLNRGFXTHR-UHFFFAOYSA-N -1 3 354.435 3.321 20 0 FGADHM 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CC(=O)c1cccc(NC(=O)[C@@H](C)CN(C)C(=O)OC(C)(C)C)c1[O-] ZINC000808187526 725187465 /nfs/dbraw/zinc/18/74/65/725187465.db2.gz HHAAMKRXWLOASB-NSHDSACASA-N -1 3 350.415 3.036 20 0 FGADHM O=C(CCOc1ccccc1)[N-]OCc1cc2c(cc1Cl)OCCO2 ZINC000808257643 725190197 /nfs/dbraw/zinc/19/01/97/725190197.db2.gz SWEDMMYEWPZQCL-UHFFFAOYSA-N -1 3 363.797 3.128 20 0 FGADHM O=C([N-]C[C@@H]1CCCN(Cc2ncc(-c3cccs3)o2)C1)C(F)(F)F ZINC000810067627 725285882 /nfs/dbraw/zinc/28/58/82/725285882.db2.gz XGTWCIAQRBAVOU-NSHDSACASA-N -1 3 373.400 3.294 20 0 FGADHM NC(=O)c1ccccc1OCCOC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000810582450 725316260 /nfs/dbraw/zinc/31/62/60/725316260.db2.gz SQQKLEIGGPMGEE-UHFFFAOYSA-N -1 3 364.810 3.218 20 0 FGADHM O=C([N-][C@@H]1COc2ccccc2[C@H]1O)C(F)(F)c1cccc(Cl)c1 ZINC000811577717 725374022 /nfs/dbraw/zinc/37/40/22/725374022.db2.gz CWHCIIPFJLRWCO-UKRRQHHQSA-N -1 3 353.752 3.043 20 0 FGADHM C[C@@H]1CCC[C@H](NC(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)CC1 ZINC000812203837 725390653 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O=C(Nc1cc(Br)ccc1[O-])[C@H](O)c1ccc(Cl)cc1 ZINC000813501118 726886320 /nfs/dbraw/zinc/88/63/20/726886320.db2.gz RENGTQVUGGIRIK-CYBMUJFWSA-N -1 3 356.603 3.480 20 0 FGADHM Cc1ncc(S(=O)(=O)[N-][C@H](c2ccccc2)[C@@H](O)c2ccccc2)s1 ZINC000813714912 726907831 /nfs/dbraw/zinc/90/78/31/726907831.db2.gz LYEHSYWRENVDJA-MSOLQXFVSA-N -1 3 374.487 3.205 20 0 FGADHM COC(=O)c1cc(C(=O)OCC(=O)c2sc3ccccc3c2C)c[n-]1 ZINC000814530816 726978482 /nfs/dbraw/zinc/97/84/82/726978482.db2.gz HATDXXWVOKURNG-UHFFFAOYSA-N -1 3 357.387 3.364 20 0 FGADHM O=S(=O)([N-][C@H](c1nccs1)C(F)(F)F)c1cccc2ncccc21 ZINC000815069917 727031204 /nfs/dbraw/zinc/03/12/04/727031204.db2.gz ZYPQLVSNIGTUAN-GFCCVEGCSA-N -1 3 373.381 3.273 20 0 FGADHM C[C@H]1CC[C@@H](OC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)C1 ZINC000815191090 727049955 /nfs/dbraw/zinc/04/99/55/727049955.db2.gz LYVXVNZOKZNUQK-NWDGAFQWSA-N -1 3 366.414 3.300 20 0 FGADHM COCCO[N-]C(=O)CCc1cc(C(F)(F)F)ccc1Br ZINC000815754745 727095745 /nfs/dbraw/zinc/09/57/45/727095745.db2.gz 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CCCCO[C@@H]1C[C@@H](OC(=O)c2sccc2-c2nnn[n-]2)C1(C)C ZINC000821072038 729055083 /nfs/dbraw/zinc/05/50/83/729055083.db2.gz QAJUHMVHGFJFNE-VXGBXAGGSA-N -1 3 350.444 3.069 20 0 FGADHM O=S(=O)(N=S1(=O)CCCC1)[N-]c1ccccc1Cc1ccccc1 ZINC000821123562 729060981 /nfs/dbraw/zinc/06/09/81/729060981.db2.gz DHKHKHHYUFEWPC-UHFFFAOYSA-N -1 3 364.492 3.196 20 0 FGADHM COc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)c(Cl)c1 ZINC000821773062 729115772 /nfs/dbraw/zinc/11/57/72/729115772.db2.gz YRZYCCHWBZGEFA-UHFFFAOYSA-N -1 3 364.192 3.434 20 0 FGADHM COc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)c(Cl)c1 ZINC000821773062 729115774 /nfs/dbraw/zinc/11/57/74/729115774.db2.gz YRZYCCHWBZGEFA-UHFFFAOYSA-N -1 3 364.192 3.434 20 0 FGADHM O=C(Cc1ccc(OCc2ccncc2)cc1)[N-]OCCC(F)(F)F ZINC000822162343 729151307 /nfs/dbraw/zinc/15/13/07/729151307.db2.gz JXGKMABCPIKUKT-UHFFFAOYSA-N -1 3 354.328 3.203 20 0 FGADHM COc1cc(-c2noc([C@@H]3C[C@H](C)CCN3)n2)cc(Br)c1[O-] ZINC000823074660 729249487 /nfs/dbraw/zinc/24/94/87/729249487.db2.gz FTYXQLMMEODNHJ-KCJUWKMLSA-N -1 3 368.231 3.274 20 0 FGADHM c1sc(CNc2ccc(N3CCSCC3)cc2)cc1-c1nnn[n-]1 ZINC000823757990 729303151 /nfs/dbraw/zinc/30/31/51/729303151.db2.gz ZICNHYUSGCXQNB-UHFFFAOYSA-N -1 3 358.496 3.094 20 0 FGADHM c1sc(CNc2ccc(N3CCSCC3)cc2)cc1-c1nn[n-]n1 ZINC000823757990 729303152 /nfs/dbraw/zinc/30/31/52/729303152.db2.gz ZICNHYUSGCXQNB-UHFFFAOYSA-N -1 3 358.496 3.094 20 0 FGADHM C[C@@H](NCc1c(F)c(F)cc(F)c1F)c1cccc(-c2nnn[n-]2)c1 ZINC000824607443 729350359 /nfs/dbraw/zinc/35/03/59/729350359.db2.gz XQEHSNOQKUFSKC-MRVPVSSYSA-N -1 3 351.307 3.274 20 0 FGADHM C[C@@H](NCc1c(F)c(F)cc(F)c1F)c1cccc(-c2nn[n-]n2)c1 ZINC000824607443 729350361 /nfs/dbraw/zinc/35/03/61/729350361.db2.gz XQEHSNOQKUFSKC-MRVPVSSYSA-N -1 3 351.307 3.274 20 0 FGADHM CSc1nc(NC(=O)C[C@@H](CNC(=O)OC(C)(C)C)CC(C)C)n[n-]1 ZINC000824783877 729358771 /nfs/dbraw/zinc/35/87/71/729358771.db2.gz ZKJHZZOVSGCVQI-NSHDSACASA-N -1 3 371.507 3.042 20 0 FGADHM C[C@H]1CC[C@@H](C(=O)Nc2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)C1 ZINC000824906138 729364336 /nfs/dbraw/zinc/36/43/36/729364336.db2.gz AIMAZRWCBDTMDZ-GXFFZTMASA-N -1 3 354.439 3.365 20 0 FGADHM C[C@H]1CC[C@@H](C(=O)Nc2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)C1 ZINC000824906138 729364339 /nfs/dbraw/zinc/36/43/39/729364339.db2.gz AIMAZRWCBDTMDZ-GXFFZTMASA-N -1 3 354.439 3.365 20 0 FGADHM C[C@@H]1CN(c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)[C@@H]2CCCC[C@H]21 ZINC000825000600 729367260 /nfs/dbraw/zinc/36/72/60/729367260.db2.gz SVWKQLQTXKRMRF-JFGNBEQYSA-N -1 3 352.364 3.295 20 0 FGADHM C[C@@H]1CN(c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)[C@@H]2CCCC[C@H]21 ZINC000825000600 729367262 /nfs/dbraw/zinc/36/72/62/729367262.db2.gz SVWKQLQTXKRMRF-JFGNBEQYSA-N -1 3 352.364 3.295 20 0 FGADHM O=C(NCc1cc(=O)[nH]c(C2CCC2)n1)c1cc2sccc2c([O-])c1 ZINC000825305000 729377839 /nfs/dbraw/zinc/37/78/39/729377839.db2.gz QNZCDNJCBWVPLL-UHFFFAOYSA-N -1 3 355.419 3.300 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)[C@H]1CC[C@H](C)C1 ZINC000825603756 729389228 /nfs/dbraw/zinc/38/92/28/729389228.db2.gz BASFMDIHFXFPFS-UWVGGRQHSA-N -1 3 350.806 3.260 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)[C@H]1CC[C@H](C)C1 ZINC000825603756 729389229 /nfs/dbraw/zinc/38/92/29/729389229.db2.gz BASFMDIHFXFPFS-UWVGGRQHSA-N -1 3 350.806 3.260 20 0 FGADHM COCCCOC1(COc2ccc(-c3nnn[n-]3)cc2Cl)CCCC1 ZINC000826156597 729406046 /nfs/dbraw/zinc/40/60/46/729406046.db2.gz LLFMVVFERDSGEQ-UHFFFAOYSA-N -1 3 366.849 3.265 20 0 FGADHM COCCCOC1(COc2ccc(-c3nn[n-]n3)cc2Cl)CCCC1 ZINC000826156597 729406048 /nfs/dbraw/zinc/40/60/48/729406048.db2.gz LLFMVVFERDSGEQ-UHFFFAOYSA-N -1 3 366.849 3.265 20 0 FGADHM FC(F)(F)c1cc(SCc2nnc(C3CC3)o2)ccc1-c1nnn[n-]1 ZINC000826368173 729407623 /nfs/dbraw/zinc/40/76/23/729407623.db2.gz FKCSVJUGALMXEB-UHFFFAOYSA-N -1 3 368.344 3.438 20 0 FGADHM FC(F)(F)c1cc(SCc2nnc(C3CC3)o2)ccc1-c1nn[n-]n1 ZINC000826368173 729407624 /nfs/dbraw/zinc/40/76/24/729407624.db2.gz FKCSVJUGALMXEB-UHFFFAOYSA-N -1 3 368.344 3.438 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)Nc1cncc(Cl)c1Cl ZINC000826402004 729407917 /nfs/dbraw/zinc/40/79/17/729407917.db2.gz KXCQYDWMULOQEM-AATRIKPKSA-N -1 3 361.192 3.220 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)Nc1cncc(Cl)c1Cl ZINC000826402004 729407918 /nfs/dbraw/zinc/40/79/18/729407918.db2.gz KXCQYDWMULOQEM-AATRIKPKSA-N -1 3 361.192 3.220 20 0 FGADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCCC2)[C@H]1CCCCS1 ZINC000826460693 729408169 /nfs/dbraw/zinc/40/81/69/729408169.db2.gz NEYQNJIKLHNGNB-GFCCVEGCSA-N -1 3 363.512 3.421 20 0 FGADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCCC2)[C@H]1CCCCS1 ZINC000826460693 729408170 /nfs/dbraw/zinc/40/81/70/729408170.db2.gz NEYQNJIKLHNGNB-GFCCVEGCSA-N -1 3 363.512 3.421 20 0 FGADHM O=C1Nc2c(cccc2Br)C1=Cc1ccc(-c2nnn[n-]2)s1 ZINC000826482854 729408459 /nfs/dbraw/zinc/40/84/59/729408459.db2.gz SKUPFOCRJLPOKV-TWGQIWQCSA-N -1 3 374.223 3.183 20 0 FGADHM CO[C@H]1Cc2ccc([N-]S(=O)(=O)c3ccc(OC4CC4)cc3)cc2C1 ZINC000829911274 729522571 /nfs/dbraw/zinc/52/25/71/729522571.db2.gz UAIYTHMHWVBLGG-SFHVURJKSA-N -1 3 359.447 3.142 20 0 FGADHM Cc1ccccc1[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1c[nH]nc1Cl ZINC000831294109 729631098 /nfs/dbraw/zinc/63/10/98/729631098.db2.gz WAZZVWXZQUMVCM-JTQLQIEISA-N -1 3 367.780 3.344 20 0 FGADHM Cc1cnc(C[N-]C(=O)C(F)(F)c2ncccc2Br)c(C)c1 ZINC000831525505 729648997 /nfs/dbraw/zinc/64/89/97/729648997.db2.gz WGIKDRKFYPXCEU-UHFFFAOYSA-N -1 3 370.197 3.264 20 0 FGADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]CC1(c2ccc(C)cc2C)CC1 ZINC000831764195 729666152 /nfs/dbraw/zinc/66/61/52/729666152.db2.gz RBLWUNIZYQICNR-UHFFFAOYSA-N -1 3 367.902 3.009 20 0 FGADHM CC(C)[C@H]1C[C@@H](C[N-]S(=O)(=O)c2ccc(Cl)nc2Cl)CCO1 ZINC000832179829 729694959 /nfs/dbraw/zinc/69/49/59/729694959.db2.gz GEGUWKXJVAIJNQ-WDEREUQCSA-N -1 3 367.298 3.118 20 0 FGADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1ccc(F)c(C(F)(F)F)c1 ZINC000836346624 729952567 /nfs/dbraw/zinc/95/25/67/729952567.db2.gz VMAHTPBXLLWCEX-UHFFFAOYSA-N -1 3 352.284 3.239 20 0 FGADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000836346624 729952568 /nfs/dbraw/zinc/95/25/68/729952568.db2.gz VMAHTPBXLLWCEX-UHFFFAOYSA-N -1 3 352.284 3.239 20 0 FGADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1c2c(ccc1Cl)CC(C)(C)O2 ZINC000836587404 729961482 /nfs/dbraw/zinc/96/14/82/729961482.db2.gz HAZZCZJJYUQAPF-UHFFFAOYSA-N -1 3 370.833 3.448 20 0 FGADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1c2c(ccc1Cl)CC(C)(C)O2 ZINC000836587404 729961483 /nfs/dbraw/zinc/96/14/83/729961483.db2.gz HAZZCZJJYUQAPF-UHFFFAOYSA-N -1 3 370.833 3.448 20 0 FGADHM O=C(Cc1ccc(Br)cc1)OCc1cc(=O)[n-]c(C2CC2)n1 ZINC000837333649 730018699 /nfs/dbraw/zinc/01/86/99/730018699.db2.gz LQQPKGQQRKFVJC-UHFFFAOYSA-N -1 3 363.211 3.108 20 0 FGADHM O=C(Cc1cccc(C(F)(F)F)c1)OCc1cc(=O)[n-]c(C2CC2)n1 ZINC000837341221 730019178 /nfs/dbraw/zinc/01/91/78/730019178.db2.gz HQDNPBCDWHIVTE-UHFFFAOYSA-N -1 3 352.312 3.364 20 0 FGADHM Cc1nnc([C@H](C)OC(=O)c2cc(Br)c(F)cc2[O-])s1 ZINC000837781322 730063191 /nfs/dbraw/zinc/06/31/91/730063191.db2.gz XENDURNKALQODP-YFKPBYRVSA-N -1 3 361.192 3.372 20 0 FGADHM O=C(Cc1ccc([O-])c(F)c1)N1CCC(Oc2ccc(Cl)cn2)CC1 ZINC000838376803 730114173 /nfs/dbraw/zinc/11/41/73/730114173.db2.gz HJUUQMQMMSHXAX-UHFFFAOYSA-N -1 3 364.804 3.192 20 0 FGADHM CNc1ccc(C(=O)O[C@@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)cn1 ZINC000840517973 730150681 /nfs/dbraw/zinc/15/06/81/730150681.db2.gz IPXZUCFDJGNOSX-VIFPVBQESA-N -1 3 358.423 3.368 20 0 FGADHM CCN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1)C1CC(C)(C)C1 ZINC000840536966 730152204 /nfs/dbraw/zinc/15/22/04/730152204.db2.gz ABYFBUCWLWTVAR-UHFFFAOYSA-N -1 3 370.490 3.163 20 0 FGADHM CC[C@H](COC(=O)c1n[n-]c(-c2ccccc2)c1Br)OC ZINC000842086877 730293199 /nfs/dbraw/zinc/29/31/99/730293199.db2.gz SCIWHYUAOLSXNC-LLVKDONJSA-N -1 3 353.216 3.421 20 0 FGADHM COc1cc(-c2noc([C@@H](N)CC(C)C)n2)cc(Br)c1[O-] ZINC000843219402 730597849 /nfs/dbraw/zinc/59/78/49/730597849.db2.gz BEIRSLMHVBTIEW-JTQLQIEISA-N -1 3 356.220 3.259 20 0 FGADHM CSc1ccc(CCCC(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000843857062 730661047 /nfs/dbraw/zinc/66/10/47/730661047.db2.gz ICMIKHXVAWIYRV-UHFFFAOYSA-N -1 3 358.389 3.185 20 0 FGADHM CC(=O)c1cccc(NC(=O)[C@H](C)[C@H](C)NC(=O)OC(C)(C)C)c1[O-] ZINC000843887829 730663525 /nfs/dbraw/zinc/66/35/25/730663525.db2.gz ANURHMSXMDGNKL-MNOVXSKESA-N -1 3 350.415 3.083 20 0 FGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)NC1(c2ccccc2Cl)CCC1 ZINC000845127704 730811872 /nfs/dbraw/zinc/81/18/72/730811872.db2.gz OGFNJGGISRTVTJ-UHFFFAOYSA-N -1 3 373.766 3.356 20 0 FGADHM Cc1ccccc1C1(NC(=O)NCc2nc(C(F)(F)F)n[n-]2)CCC1 ZINC000845126999 730811928 /nfs/dbraw/zinc/81/19/28/730811928.db2.gz HTDGADZHDDALAZ-UHFFFAOYSA-N -1 3 353.348 3.011 20 0 FGADHM Cc1sc(NC(=O)COC(=O)c2ccc(N)c(Cl)c2[O-])c(C)c1C ZINC000845193874 730818472 /nfs/dbraw/zinc/81/84/72/730818472.db2.gz VZYPUEORLUSBRX-UHFFFAOYSA-N -1 3 368.842 3.410 20 0 FGADHM CC(C)[C@@H](OC(=O)c1ccc(N)c(Cl)c1[O-])C(=O)NC1CCCCC1 ZINC000845194869 730818503 /nfs/dbraw/zinc/81/85/03/730818503.db2.gz SSLBGKRXLSDAPN-MRXNPFEDSA-N -1 3 368.861 3.258 20 0 FGADHM O=C([O-])CCN(Cc1cc(-c2ccccc2Cl)on1)C1CCOCC1 ZINC000846273815 730942333 /nfs/dbraw/zinc/94/23/33/730942333.db2.gz KVNIZJIPFFSHGD-UHFFFAOYSA-N -1 3 364.829 3.451 20 0 FGADHM COc1ccc(Br)cc1CN1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC000846286117 730943856 /nfs/dbraw/zinc/94/38/56/730943856.db2.gz YLJBOYNTHPZBIN-LRDDRELGSA-N -1 3 354.244 3.144 20 0 FGADHM Cc1nn(-c2ccccc2Cl)cc1CN[C@H](CC(F)(F)F)C(=O)[O-] ZINC000846779056 730979595 /nfs/dbraw/zinc/97/95/95/730979595.db2.gz CFVOFYSLKGLJLN-GFCCVEGCSA-N -1 3 361.751 3.329 20 0 FGADHM CC(C)Oc1ccccc1C(F)(F)C(=O)[N-]Cc1nccn1C(F)F ZINC000847398892 731052357 /nfs/dbraw/zinc/05/23/57/731052357.db2.gz BTPSHDXBTMPXNU-UHFFFAOYSA-N -1 3 359.323 3.474 20 0 FGADHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CC=C(c2ccc(Cl)nc2)CC1 ZINC000847659491 731075411 /nfs/dbraw/zinc/07/54/11/731075411.db2.gz QBLFSAUJVDJGDG-UHFFFAOYSA-N -1 3 356.813 3.038 20 0 FGADHM Cn1cc(C[C@H]2CCC[C@H]2NC(=O)c2cc3sccc3c([O-])c2)cn1 ZINC000855870622 731964141 /nfs/dbraw/zinc/96/41/41/731964141.db2.gz OYDKFFVGKHATIO-CZUORRHYSA-N -1 3 355.463 3.482 20 0 FGADHM C[C@H](CC(=O)N1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1)CC(C)(C)C ZINC000856418229 732025305 /nfs/dbraw/zinc/02/53/05/732025305.db2.gz AVKFOGOSYTYYAF-UPJWGTAASA-N -1 3 350.425 3.364 20 0 FGADHM C/C(=C\C(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1)c1cccs1 ZINC000857262289 732116642 /nfs/dbraw/zinc/11/66/42/732116642.db2.gz CWELXYJRHVPFCF-OBIHZWKSSA-N -1 3 360.401 3.069 20 0 FGADHM Cc1ccccc1N(C)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000857703014 732155859 /nfs/dbraw/zinc/15/58/59/732155859.db2.gz DGAWNAZDMMNZLX-UHFFFAOYSA-N -1 3 364.442 3.097 20 0 FGADHM COc1cc(C(=O)OC[C@H](OC)c2ccc(F)cc2)cc(OC)c1[O-] ZINC000859607028 732360114 /nfs/dbraw/zinc/36/01/14/732360114.db2.gz HJXSWKPPQBRZEX-INIZCTEOSA-N -1 3 350.342 3.093 20 0 FGADHM CCn1cc(C(=O)O[C@@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)c(C)n1 ZINC000860203578 732468292 /nfs/dbraw/zinc/46/82/92/732468292.db2.gz AMWGAAQXWOJYDF-JTQLQIEISA-N -1 3 360.439 3.457 20 0 FGADHM C[C@@H](OC(=O)c1cc([O-])cc(Br)c1)c1nc(C2CC2)no1 ZINC000860201503 732468419 /nfs/dbraw/zinc/46/84/19/732468419.db2.gz MIYZLZKACGANCK-SSDOTTSWSA-N -1 3 353.172 3.333 20 0 FGADHM CSCCCCCCC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000861509804 732691852 /nfs/dbraw/zinc/69/18/52/732691852.db2.gz IXTMOHNDHPVWFZ-UHFFFAOYSA-N -1 3 368.465 3.217 20 0 FGADHM O=c1[n-]nc(SCC2(Br)CC2)n1CCc1ccccc1 ZINC000863258384 732933975 /nfs/dbraw/zinc/93/39/75/732933975.db2.gz CGUMOVBJIQECPF-UHFFFAOYSA-N -1 3 354.273 3.246 20 0 FGADHM CCO[C@H](CS(=O)(=O)[N-]c1ccc2nn(C(C)C)cc2c1)C1CC1 ZINC000863404675 732958570 /nfs/dbraw/zinc/95/85/70/732958570.db2.gz ZBOXHDIFGPZMCL-QGZVFWFLSA-N -1 3 351.472 3.174 20 0 FGADHM O=S(=O)(CCOCC1CC1)[N-]c1cccc(SC(F)(F)F)c1 ZINC000863429067 732962389 /nfs/dbraw/zinc/96/23/89/732962389.db2.gz KPCLKTWGDOKVFE-UHFFFAOYSA-N -1 3 355.403 3.467 20 0 FGADHM O=C([O-])c1cnc(CN2CC[C@H](c3cccc(C(F)(F)F)c3)C2)cn1 ZINC000863464809 732967051 /nfs/dbraw/zinc/96/70/51/732967051.db2.gz TVUAAFAZGIYNOG-LBPRGKRZSA-N -1 3 351.328 3.183 20 0 FGADHM Cc1ccnc(CNC[C@H](Cc2ccccc2)C(=O)[O-])c1Br ZINC000864504915 733067932 /nfs/dbraw/zinc/06/79/32/733067932.db2.gz SWEFJRXSIJCJTK-AWEZNQCLSA-N -1 3 363.255 3.186 20 0 FGADHM Cc1cc(C)cc(C[C@H](NCc2cccnc2Br)C(=O)[O-])c1 ZINC000864508018 733068953 /nfs/dbraw/zinc/06/89/53/733068953.db2.gz SHJJINMSHWHKAN-HNNXBMFYSA-N -1 3 363.255 3.246 20 0 FGADHM COc1ccc(OCc2nc(CN[C@@H]3CCC[C@@H]3C(=O)[O-])cs2)cc1 ZINC000864527072 733073006 /nfs/dbraw/zinc/07/30/06/733073006.db2.gz VDIYIRXCDSKSKW-JKSUJKDBSA-N -1 3 362.451 3.074 20 0 FGADHM C[C@H](CCc1ccc(F)cc1)C(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000864708781 733091475 /nfs/dbraw/zinc/09/14/75/733091475.db2.gz DKILWFRCCYVDPV-CYBMUJFWSA-N -1 3 364.442 3.405 20 0 FGADHM Cc1cc(SCc2nc3c(c(=O)[n-]2)COCC3)n(-c2ccccc2)n1 ZINC000865367040 733186877 /nfs/dbraw/zinc/18/68/77/733186877.db2.gz ZGXMGRGHOPGKPZ-UHFFFAOYSA-N -1 3 354.435 3.041 20 0 FGADHM O=c1[nH][n-]cc1CCCNc1nc(Cl)c(C(F)(F)F)cc1Cl ZINC000865942573 733293377 /nfs/dbraw/zinc/29/33/77/733293377.db2.gz TXHULEIVSQIUNA-LURJTMIESA-N -1 3 355.147 3.331 20 0 FGADHM COc1nnc([N-]C(=O)c2ccc(N(C)C(=O)OC(C)(C)C)s2)s1 ZINC000870178431 733820256 /nfs/dbraw/zinc/82/02/56/733820256.db2.gz JFXHITWSPUIXLQ-UHFFFAOYSA-N -1 3 370.456 3.232 20 0 FGADHM O=C([N-]CC[C@@H]1CN(C(=O)C2CCCC2)c2ccccc21)C(F)(F)F ZINC000871312969 733931686 /nfs/dbraw/zinc/93/16/86/733931686.db2.gz MZDDTEQLUZORKN-CYBMUJFWSA-N -1 3 354.372 3.376 20 0 FGADHM CC(C)[C@@H](C)C(=O)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000871316046 733932088 /nfs/dbraw/zinc/93/20/88/733932088.db2.gz QLEXJXNGOUAUPP-OLZOCXBDSA-N -1 3 356.388 3.478 20 0 FGADHM CC1(C(=O)N2C[C@H](CC[N-]C(=O)C(F)(F)F)c3ccccc32)CCC1 ZINC000871316760 733932187 /nfs/dbraw/zinc/93/21/87/733932187.db2.gz YHQFETNDLYVQGL-LBPRGKRZSA-N -1 3 354.372 3.376 20 0 FGADHM Cc1nc(C)c(CC(=O)NCC2(c3cccc(Cl)c3)CCC2)c(=O)[n-]1 ZINC000871570352 733945854 /nfs/dbraw/zinc/94/58/54/733945854.db2.gz PPAHPFWSSKEWAT-UHFFFAOYSA-N -1 3 359.857 3.233 20 0 FGADHM O=C([O-])c1ccc(CN2CC[C@@H]3CSC[C@H]3C2)c(Br)c1 ZINC000872163561 735598027 /nfs/dbraw/zinc/59/80/27/735598027.db2.gz JKQOPZIOUNGBLT-CHWSQXEVSA-N -1 3 356.285 3.332 20 0 FGADHM C[C@H]([N-]C(=O)C(F)(F)C1CCOCC1)c1ccc(C(F)(F)F)nc1 ZINC000874643592 735916419 /nfs/dbraw/zinc/91/64/19/735916419.db2.gz DQRGXUBUXPWUKL-VIFPVBQESA-N -1 3 352.303 3.340 20 0 FGADHM Cc1cc(C(F)(F)F)n2nc(C(=O)[N-]c3nc(C(C)C)ns3)cc2n1 ZINC000874693116 735920360 /nfs/dbraw/zinc/92/03/60/735920360.db2.gz QUAXWTCPWGAIPG-UHFFFAOYSA-N -1 3 370.360 3.284 20 0 FGADHM O=c1[n-]c(CN2CCCSc3cc(Cl)ccc32)nc2c1COCC2 ZINC000879138669 736959885 /nfs/dbraw/zinc/95/98/85/736959885.db2.gz YDSWZXUACUELOZ-UHFFFAOYSA-N -1 3 363.870 3.411 20 0 FGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1ccc(OC(F)F)c(Cl)c1 ZINC000879541491 737002992 /nfs/dbraw/zinc/00/29/92/737002992.db2.gz ZHLBMGHJAAJXEB-UHFFFAOYSA-N -1 3 370.665 3.008 20 0 FGADHM O=c1cc(CN2CCO[C@H](C(F)(F)F)CC2)nc(-c2ccccc2)[n-]1 ZINC000880050540 737108883 /nfs/dbraw/zinc/10/88/83/737108883.db2.gz NMKOOHPXZXQDHI-AWEZNQCLSA-N -1 3 353.344 3.002 20 0 FGADHM CC(C)Cn1ccc2c1cccc2C(=O)NCc1cc(=O)[n-]c(=S)[nH]1 ZINC000880513917 737182376 /nfs/dbraw/zinc/18/23/76/737182376.db2.gz MMVOGXYITPEDJF-UHFFFAOYSA-N -1 3 356.451 3.012 20 0 FGADHM CC(C)[C@H](C(=O)NCc1cc(=O)[n-]c(=S)[nH]1)c1cccc(Cl)c1 ZINC000880515118 737183113 /nfs/dbraw/zinc/18/31/13/737183113.db2.gz QURPUIOIGYRGMA-AWEZNQCLSA-N -1 3 351.859 3.180 20 0 FGADHM Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2cc3nc(Cl)ccc3s2)s1 ZINC000882066355 737417001 /nfs/dbraw/zinc/41/70/01/737417001.db2.gz JQXSDDRQVNAASM-ZCFIWIBFSA-N -1 3 374.900 3.149 20 0 FGADHM COC1(CS(=O)(=O)[N-]c2ccc(C(C)(C)C)c(F)c2)CCOCC1 ZINC000882783420 737490996 /nfs/dbraw/zinc/49/09/96/737490996.db2.gz YHRKFJIRRVFTMC-UHFFFAOYSA-N -1 3 359.463 3.061 20 0 FGADHM Cc1ccc(CSc2nc(NC(=O)[C@@H]3CCC(=O)C[C@H]3C)n[n-]2)cc1 ZINC000889251559 739647491 /nfs/dbraw/zinc/64/74/91/739647491.db2.gz PSYSUHDCLKEWTN-IUODEOHRSA-N -1 3 358.467 3.349 20 0 FGADHM O=C(Nc1ccnn1[C@@H]1CCCOC1)c1cc([O-])cc(C(F)(F)F)c1 ZINC000890330114 739780878 /nfs/dbraw/zinc/78/08/78/739780878.db2.gz OPKDRAUFLGYVAG-GFCCVEGCSA-N -1 3 355.316 3.211 20 0 FGADHM O=C(c1c(Cl)cccc1C(F)(F)F)N1CCCc2c(=O)[n-]cnc21 ZINC000893203209 742123571 /nfs/dbraw/zinc/12/35/71/742123571.db2.gz BEFGYWWCCNLCTF-UHFFFAOYSA-N -1 3 357.719 3.447 20 0 FGADHM O=C(c1ccc(OC(F)(F)F)c(Cl)c1)N1CCCc2c(=O)[n-]cnc21 ZINC000893203695 742123594 /nfs/dbraw/zinc/12/35/94/742123594.db2.gz AMUIWBFKIUCXLV-UHFFFAOYSA-N -1 3 373.718 3.327 20 0 FGADHM C[C@@H](C(=O)N1CCCc2c(=O)[n-]cnc21)c1ccccc1C(F)(F)F ZINC000893215989 742125933 /nfs/dbraw/zinc/12/59/33/742125933.db2.gz LSGDDFGBWZFCBY-SNVBAGLBSA-N -1 3 351.328 3.284 20 0 FGADHM Cc1ccc([C@H](NCc2ccc([O-])c(F)c2)[C@H](C)S(C)(=O)=O)cc1 ZINC000894220042 742254339 /nfs/dbraw/zinc/25/43/39/742254339.db2.gz CVWJHUJUHITBGV-SCLBCKFNSA-N -1 3 351.443 3.104 20 0 FGADHM C[C@@H](NCc1ncc(Br)cc1[O-])[C@@H]1OCCc2sccc21 ZINC000894593609 742302522 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CN(Cc1ccccc1Br)C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000899947387 743029189 /nfs/dbraw/zinc/02/91/89/743029189.db2.gz RNHPJWMSHAOHAS-UHFFFAOYSA-N -1 3 362.227 3.094 20 0 FGADHM Cc1c(Cl)ccc(CN[C@H](C(=O)[O-])[C@@H](O)Cc2ccccc2)c1Cl ZINC000900045696 743049711 /nfs/dbraw/zinc/04/97/11/743049711.db2.gz HETWDFQUSUDVHD-RDJZCZTQSA-N -1 3 368.260 3.448 20 0 FGADHM CN1CC[C@@H]2CC[C@H](C1)N2C(=O)c1cc(Cl)cc(Br)c1[O-] ZINC000900043700 743050034 /nfs/dbraw/zinc/05/00/34/743050034.db2.gz YZBJYBIYBIIGOV-WDEREUQCSA-N -1 3 373.678 3.117 20 0 FGADHM COc1ccc(NC(=O)c2cnc(C3CC3)[n-]c2=O)c(C(F)(F)F)c1 ZINC000900292975 743086790 /nfs/dbraw/zinc/08/67/90/743086790.db2.gz QJKGDXWPHZZMCY-UHFFFAOYSA-N -1 3 353.300 3.339 20 0 FGADHM O=C([O-])C[C@]1(NCc2ccc(Cl)cc2Br)CCCOC1 ZINC000901522023 743297359 /nfs/dbraw/zinc/29/73/59/743297359.db2.gz CEJVZHCFWIECGM-CQSZACIVSA-N -1 3 362.651 3.216 20 0 FGADHM Cc1nn(-c2ccccc2Br)cc1CN(C)C[C@@H](C)C(=O)[O-] ZINC000901596571 743595707 /nfs/dbraw/zinc/59/57/07/743595707.db2.gz HRAKMONGBJKNHD-LLVKDONJSA-N -1 3 366.259 3.096 20 0 FGADHM C[C@H](NCc1ccc(-c2ccc(Cl)cc2)s1)C(=O)N[C@@H](C)C(=O)[O-] ZINC000901742015 743630096 /nfs/dbraw/zinc/63/00/96/743630096.db2.gz PWGYDUQMHIIQBQ-QWRGUYRKSA-N -1 3 366.870 3.136 20 0 FGADHM Cc1c(CN2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)sc2nc(C)nc(C)c12 ZINC000901788737 743641591 /nfs/dbraw/zinc/64/15/91/743641591.db2.gz VDICNQGGAPEONK-OAHLLOKOSA-N -1 3 373.400 3.456 20 0 FGADHM O=C([O-])[C@H](NCc1csc(-c2ccc(Cl)cc2)n1)[C@@H]1CCCOC1 ZINC000901832912 743653032 /nfs/dbraw/zinc/65/30/32/743653032.db2.gz PUMMTVBXUSACCH-IUODEOHRSA-N -1 3 366.870 3.433 20 0 FGADHM CSCc1cnc(CN[C@H](C)[C@@H](Cc2ccccc2)C(=O)[O-])s1 ZINC000901871265 743663865 /nfs/dbraw/zinc/66/38/65/743663865.db2.gz DVAGCDAWILPQNA-IUODEOHRSA-N -1 3 350.509 3.428 20 0 FGADHM O=C([O-])[C@H]1CSCCN(Cc2cnc(CCc3ccccc3)s2)C1 ZINC000901888407 743667284 /nfs/dbraw/zinc/66/72/84/743667284.db2.gz AINGWPRBLWTVFQ-OAHLLOKOSA-N -1 3 362.520 3.178 20 0 FGADHM CCCCOc1ccc(CN2CCSC[C@@H](C(=O)[O-])C2)cc1OC ZINC000901892361 743668740 /nfs/dbraw/zinc/66/87/40/743668740.db2.gz SWADYUJJZRXAGC-HNNXBMFYSA-N -1 3 353.484 3.124 20 0 FGADHM Cc1cnc(CN2C[C@H](C(=O)[O-])[C@@H](c3ccc(Br)cc3)C2)o1 ZINC000901896766 743671434 /nfs/dbraw/zinc/67/14/34/743671434.db2.gz ICTBAYYGIVRXBJ-KGLIPLIRSA-N -1 3 365.227 3.046 20 0 FGADHM O=C([O-])[C@@H]1OCC[C@@H]1NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000901920457 743677826 /nfs/dbraw/zinc/67/78/26/743677826.db2.gz JANMBZFVTVKNSX-WDEREUQCSA-N -1 3 357.250 3.056 20 0 FGADHM O=C([O-])[C@H](C[C@H]1CCCOC1)NCc1csc(-c2ccc(F)cc2)n1 ZINC000901931913 743681263 /nfs/dbraw/zinc/68/12/63/743681263.db2.gz QKWUTIOZTLMAFX-WBMJQRKESA-N -1 3 364.442 3.309 20 0 FGADHM C[C@@](CC(=O)[O-])(NCc1nc2cc(Br)ccc2o1)C1CC1 ZINC000901946859 743684536 /nfs/dbraw/zinc/68/45/36/743684536.db2.gz WGPZWDXULHBSOH-HNNXBMFYSA-N -1 3 353.216 3.323 20 0 FGADHM CN(Cc1nc2ccc(Cl)cc2n1C)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000902008223 743697465 /nfs/dbraw/zinc/69/74/65/743697465.db2.gz XLTYUKRGEXQNSV-KRWDZBQOSA-N -1 3 357.841 3.354 20 0 FGADHM CC(C)[C@H]1CN(Cc2cn(CC(=O)[O-])nc2-c2ccccc2)CCS1 ZINC000902389287 743739947 /nfs/dbraw/zinc/73/99/47/743739947.db2.gz WIGPKEIUCZKZHK-QGZVFWFLSA-N -1 3 359.495 3.208 20 0 FGADHM COC[C@@H](C)C[N-]C(=O)C(F)(F)c1ncc(C(F)(F)F)cc1Cl ZINC000902826515 743778626 /nfs/dbraw/zinc/77/86/26/743778626.db2.gz KZENHBMKRCMZJZ-ZETCQYMHSA-N -1 3 360.710 3.244 20 0 FGADHM O=C(c1ccccc1[O-])N1CCC[C@H]1c1nc(CCC(F)(F)F)no1 ZINC000903444582 743852299 /nfs/dbraw/zinc/85/22/99/743852299.db2.gz CZUBUEKMPRRALW-NSHDSACASA-N -1 3 355.316 3.247 20 0 FGADHM CC(C)C[C@@H](NCc1ccc(C(=O)[O-])s1)C(=O)Nc1nccs1 ZINC000903681188 743872805 /nfs/dbraw/zinc/87/28/05/743872805.db2.gz UUSFGTNTCSPWCI-LLVKDONJSA-N -1 3 353.469 3.046 20 0 FGADHM COc1ccc([C@H](O)C2CCN(Cc3ccc(C(=O)[O-])s3)CC2)cc1 ZINC000903689324 743875475 /nfs/dbraw/zinc/87/54/75/743875475.db2.gz GCDSSVAAKFBKCU-SFHVURJKSA-N -1 3 361.463 3.401 20 0 FGADHM C[C@@H](NCc1ccc(C(=O)[O-])s1)c1ccc(N2CCCNC2=O)cc1 ZINC000903690238 743875529 /nfs/dbraw/zinc/87/55/29/743875529.db2.gz UTLTZCZSWSREFB-GFCCVEGCSA-N -1 3 359.451 3.217 20 0 FGADHM CCN(Cc1cc(OC)c(C(=O)[O-])cc1Br)C[C@@H]1CCOC1 ZINC000903887599 743892546 /nfs/dbraw/zinc/89/25/46/743892546.db2.gz XGHGCLJWHSHPFS-NSHDSACASA-N -1 3 372.259 3.014 20 0 FGADHM O=C([O-])[C@@H]1CCN(Cc2ccccc2OC(F)F)[C@@H]([C@H]2CCCO2)C1 ZINC000903943393 743902697 /nfs/dbraw/zinc/90/26/97/743902697.db2.gz JLVZJVLNKMJBLR-XNRPHZJLSA-N -1 3 355.381 3.132 20 0 FGADHM O=C([O-])[C@@H]1CCN(CCOc2ccccc2Cl)[C@H]([C@@H]2CCCO2)C1 ZINC000903945646 743903720 /nfs/dbraw/zinc/90/37/20/743903720.db2.gz ZGKPQTVJDQQCKV-KMFMINBZSA-N -1 3 353.846 3.063 20 0 FGADHM Cc1nn(C)c(CNC[C@@H](Cc2ccccc2Cl)C(=O)[O-])c1Cl ZINC000903991063 743909421 /nfs/dbraw/zinc/90/94/21/743909421.db2.gz JODFBYULQULURC-GFCCVEGCSA-N -1 3 356.253 3.068 20 0 FGADHM CSC[C@@H](NCc1c(C)nn(Cc2ccc(C)cc2)c1Cl)C(=O)[O-] ZINC000904040969 743918146 /nfs/dbraw/zinc/91/81/46/743918146.db2.gz WSXUQQGUTTYKEW-OAHLLOKOSA-N -1 3 367.902 3.107 20 0 FGADHM O=C([O-])C[C@H](NCc1cn(-c2ccc(F)cc2Cl)nn1)C1CCCC1 ZINC000904041902 743918600 /nfs/dbraw/zinc/91/86/00/743918600.db2.gz XXBIEJCIYLWUCI-HNNXBMFYSA-N -1 3 366.824 3.183 20 0 FGADHM CN(C)C[C@H](NCc1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)[O-] ZINC000904058190 743921480 /nfs/dbraw/zinc/92/14/80/743921480.db2.gz JLKHZKWSBAFLNM-AWEZNQCLSA-N -1 3 357.237 3.358 20 0 FGADHM CCc1cnc(CN[C@@H](CC(=O)[O-])Cc2cc(F)c(F)cc2F)s1 ZINC000904062423 743922658 /nfs/dbraw/zinc/92/26/58/743922658.db2.gz LCYDUAYAVZKHPE-SNVBAGLBSA-N -1 3 358.385 3.298 20 0 FGADHM CCOCC[C@H](NCc1ccc(Cl)cc1Br)C(=O)[O-] ZINC000904067829 743923840 /nfs/dbraw/zinc/92/38/40/743923840.db2.gz MUCFHOSXINJOIX-LBPRGKRZSA-N -1 3 350.640 3.072 20 0 FGADHM O=C([O-])c1ccc2cc(CCNCc3cc(C(F)(F)F)n[nH]3)oc2c1 ZINC000905798925 744056980 /nfs/dbraw/zinc/05/69/80/744056980.db2.gz KRVCTSZZFQKFPA-UHFFFAOYSA-N -1 3 353.300 3.205 20 0 FGADHM O=C(Nc1[n-]ncc1S(=O)(=O)c1ccc(Cl)cc1)C1CC2(CC2)C1 ZINC000906060562 744086826 /nfs/dbraw/zinc/08/68/26/744086826.db2.gz BKAITCOKVFYCKF-UHFFFAOYSA-N -1 3 365.842 3.025 20 0 FGADHM O=C(Nc1n[n-]cc1S(=O)(=O)c1ccc(Cl)cc1)C1CC2(CC2)C1 ZINC000906060562 744086831 /nfs/dbraw/zinc/08/68/31/744086831.db2.gz BKAITCOKVFYCKF-UHFFFAOYSA-N -1 3 365.842 3.025 20 0 FGADHM CC[S@@](C)(=O)=NS(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1Cl ZINC000906062108 744087330 /nfs/dbraw/zinc/08/73/30/744087330.db2.gz VWASFMAUBDZZPC-HXUWFJFHSA-N -1 3 364.798 3.133 20 0 FGADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N2CCC[C@@H]3COCC[C@H]32)s1 ZINC000906966639 744175692 /nfs/dbraw/zinc/17/56/92/744175692.db2.gz XTPUEEGNGIIIDG-VXGBXAGGSA-N -1 3 367.471 3.131 20 0 FGADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N2CCC[C@H]3COCC[C@@H]32)s1 ZINC000906966638 744176013 /nfs/dbraw/zinc/17/60/13/744176013.db2.gz XTPUEEGNGIIIDG-RYUDHWBXSA-N -1 3 367.471 3.131 20 0 FGADHM C[C@H]1CC2(CC([N-]S(=O)(=O)c3ccc(F)cc3C(F)(F)F)C2)CO1 ZINC000907723469 744231371 /nfs/dbraw/zinc/23/13/71/744231371.db2.gz HZARKPWNUMXWQO-VOIZVOFFSA-N -1 3 367.364 3.080 20 0 FGADHM C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)CN1CCC[C@@H](C(=O)[O-])C1 ZINC000908717958 744311463 /nfs/dbraw/zinc/31/14/63/744311463.db2.gz IQVVGZZQCQYRSY-NWDGAFQWSA-N -1 3 373.280 3.309 20 0 FGADHM CC[C@](C)(NC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1)C(=O)[O-] ZINC000908749840 744315035 /nfs/dbraw/zinc/31/50/35/744315035.db2.gz ZJYWDEDGPBHQPK-KDOFPFPSSA-N -1 3 367.515 3.074 20 0 FGADHM CCN(CC)[C@@H](CNC(=O)N1CCCCC[C@@H]1C(=O)[O-])c1ccsc1 ZINC000908802391 744319192 /nfs/dbraw/zinc/31/91/92/744319192.db2.gz HQDIKDVNQJCMAF-CVEARBPZSA-N -1 3 367.515 3.170 20 0 FGADHM CCN(CC)[C@@H](CNC(=O)NC(CC)(CC)C(=O)[O-])c1ccsc1 ZINC000908803037 744319287 /nfs/dbraw/zinc/31/92/87/744319287.db2.gz LREGLJGKBANIFY-AWEZNQCLSA-N -1 3 355.504 3.074 20 0 FGADHM CCn1cc([C@@H](C)NC(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)cn1 ZINC000909280837 744352350 /nfs/dbraw/zinc/35/23/50/744352350.db2.gz SNLLGQGCAWQPDX-SNVBAGLBSA-N -1 3 365.459 3.198 20 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FGADHM O=C(Nc1cnn([C@@H]2CCCCO2)c1)c1cc([O-])cc(Br)c1 ZINC000912572520 757349668 /nfs/dbraw/zinc/34/96/68/757349668.db2.gz BPYVESLVDMKXCC-AWEZNQCLSA-N -1 3 366.215 3.303 20 0 FGADHM O=C(c1cc([O-])cc(Br)c1)N1CC(c2ncc(C3CC3)cn2)C1 ZINC000913615628 757551871 /nfs/dbraw/zinc/55/18/71/757551871.db2.gz HNJUKHBPXGBQRF-UHFFFAOYSA-N -1 3 374.238 3.062 20 0 FGADHM COc1cccc2c1CC[C@H]2[N-]S(=O)(=O)c1occc1Br ZINC000914250339 757732217 /nfs/dbraw/zinc/73/22/17/757732217.db2.gz ONYJIZOHDHMQPQ-GFCCVEGCSA-N -1 3 372.240 3.017 20 0 FGADHM O=S(=O)(CC1(F)CC1)[N-]Cc1nc(-c2cc3ccccc3o2)cs1 ZINC000914389786 757768559 /nfs/dbraw/zinc/76/85/59/757768559.db2.gz HHYGTTSTAGYEOY-UHFFFAOYSA-N -1 3 366.439 3.478 20 0 FGADHM O=c1[n-]c(SC[C@@H]2C[C@@]23CCOC3)nc2c1cnn2-c1ccccc1 ZINC000915418341 757934205 /nfs/dbraw/zinc/93/42/05/757934205.db2.gz GIYIUPGKVROPJG-KPZWWZAWSA-N -1 3 354.435 3.040 20 0 FGADHM Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C=C1SC(=O)[N-]C1=O ZINC000915840216 757991224 /nfs/dbraw/zinc/99/12/24/757991224.db2.gz 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Cc1ccc(S(=O)(=O)[N-]Cc2c(C)cc(Br)cc2C)o1 ZINC000540208245 503709742 /nfs/dbraw/zinc/70/97/42/503709742.db2.gz SOBJZJABSQHPMA-UHFFFAOYSA-N -1 3 358.257 3.446 20 0 FGADHM COc1ccc([C@@H](C)CCNC(=O)c2cc(=O)c3ccccc3[n-]2)cc1 ZINC000573614976 505578801 /nfs/dbraw/zinc/57/88/01/505578801.db2.gz CEZIMDRQTNNGMR-AWEZNQCLSA-N -1 3 350.418 3.460 20 0 FGADHM CCn1c(CN2CCC3(CCOCC3)[C@@H]2C)nc2cc(C(=O)[O-])ccc21 ZINC000570808625 505585773 /nfs/dbraw/zinc/58/57/73/505585773.db2.gz VAYDAJCHRSBUAO-AWEZNQCLSA-N -1 3 357.454 3.145 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)Cc1cccc(F)c1F)c1nc2c(s1)CCC2 ZINC000573679891 505595526 /nfs/dbraw/zinc/59/55/26/505595526.db2.gz UAKJNWASVLBIFQ-SECBINFHSA-N -1 3 358.435 3.091 20 0 FGADHM Cn1[n-]c([C@H]2CCCN2C(=O)c2ccc(-c3ccc(F)cc3)s2)nc1=N ZINC000570871146 505599980 /nfs/dbraw/zinc/59/99/80/505599980.db2.gz WKSNSTRVSWMLLR-CYBMUJFWSA-N -1 3 371.441 3.073 20 0 FGADHM O=C([O-])[C@@H]1CC12CCN(CCOc1cc(F)cc(Br)c1)CC2 ZINC000568059165 505605833 /nfs/dbraw/zinc/60/58/33/505605833.db2.gz XQGGEBKYIXKONK-AWEZNQCLSA-N -1 3 372.234 3.154 20 0 FGADHM O=C(Cc1cncc([O-])c1)N1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000576836730 505606555 /nfs/dbraw/zinc/60/65/55/505606555.db2.gz DRAQZHMPGROETO-KRWDZBQOSA-N -1 3 368.330 3.446 20 0 FGADHM CC(C)(C)N1CCCN(C(=O)c2cc(Br)ccc2[O-])CC1 ZINC000063864950 494095100 /nfs/dbraw/zinc/09/51/00/494095100.db2.gz OYYXOTSSSRHFFD-UHFFFAOYSA-N -1 3 355.276 3.101 20 0 FGADHM CC[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc(Cl)cc(COC)c1 ZINC000570975788 505624737 /nfs/dbraw/zinc/62/47/37/505624737.db2.gz KCUFJBOJYWEOAJ-LLVKDONJSA-N -1 3 359.797 3.496 20 0 FGADHM O=C(CNC(=O)c1ccc([O-])cc1)NC[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000579809049 505626369 /nfs/dbraw/zinc/62/63/69/505626369.db2.gz CZDRLIPCWMLAIE-ICSRJNTNSA-N -1 3 366.461 3.212 20 0 FGADHM CCCCN(C)S(=O)(=O)[N-]c1cc(Cl)ccc1OCCOCC ZINC000606825100 507521280 /nfs/dbraw/zinc/52/12/80/507521280.db2.gz DDNBAUYGHJQISW-UHFFFAOYSA-N -1 3 364.895 3.144 20 0 FGADHM COC(=O)c1cnc([N-]C(=O)c2csc([C@@H]3CCCO3)n2)c(Cl)c1 ZINC000568174102 505634547 /nfs/dbraw/zinc/63/45/47/505634547.db2.gz OQZPTMOFIJBMJI-NSHDSACASA-N -1 3 367.814 3.082 20 0 FGADHM O=C(CCc1ccc2ccccc2c1[O-])N1CCOC2(CCOCC2)CC1 ZINC000568183693 505637335 /nfs/dbraw/zinc/63/73/35/505637335.db2.gz PEAYEXCOQAICNH-UHFFFAOYSA-N -1 3 369.461 3.276 20 0 FGADHM Cn1ccnc1[C@@H](CC(=O)N1CCCc2cccc([O-])c21)C(F)(F)F ZINC000568203913 505642850 /nfs/dbraw/zinc/64/28/50/505642850.db2.gz YDJQGXGHPSQNFE-GFCCVEGCSA-N -1 3 353.344 3.141 20 0 FGADHM O=C(Nc1ccccc1[O-])C1CCN(Cc2ccc3c(n2)CCC3)CC1 ZINC000579926991 505647060 /nfs/dbraw/zinc/64/70/60/505647060.db2.gz IFMNSHAUFHEFJY-UHFFFAOYSA-N -1 3 351.450 3.127 20 0 FGADHM Cc1cc(Br)cc(CN[C@H]2C[C@H](C(=O)[O-])C2)c1OC(F)F ZINC000568257644 505653684 /nfs/dbraw/zinc/65/36/84/505653684.db2.gz SOIOJYIBTDQZJX-JLIMDTESSA-N -1 3 364.186 3.312 20 0 FGADHM COc1ccc2ncc(C(=O)[O-])c(NCc3csc([C@@H](C)OC)n3)c2c1 ZINC000568275312 505657683 /nfs/dbraw/zinc/65/76/83/505657683.db2.gz VUIJVFHMZDKRNB-SNVBAGLBSA-N -1 3 373.434 3.140 20 0 FGADHM Cc1cc(C(=O)N2CCC[C@@H]2c2nc(=N)n(C)[n-]2)sc1-c1ccccc1 ZINC000573933227 505654798 /nfs/dbraw/zinc/65/47/98/505654798.db2.gz DQBIXJHKDYMYKB-CQSZACIVSA-N -1 3 367.478 3.242 20 0 FGADHM Cc1nc(-c2ccc(NC(=O)N(CCO)[C@H]3CC[C@H](C)C3)cc2)cc(=O)[n-]1 ZINC000577126955 505669829 /nfs/dbraw/zinc/66/98/29/505669829.db2.gz SCEADRNNKJHSJJ-GUYCJALGSA-N -1 3 370.453 3.172 20 0 FGADHM Cc1ccccc1[C@@H]1CCN([C@@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)C1 ZINC000580084319 505674652 /nfs/dbraw/zinc/67/46/52/505674652.db2.gz QBTODHCBAABBRQ-QFBILLFUSA-N -1 3 366.461 3.187 20 0 FGADHM Cc1csc(C[N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)n1 ZINC000057480994 493766354 /nfs/dbraw/zinc/76/63/54/493766354.db2.gz FYNQMICSVNFVAG-UHFFFAOYSA-N -1 3 354.350 3.088 20 0 FGADHM Cc1nc(C)c(CCC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)c(=O)[n-]1 ZINC000057813307 493802058 /nfs/dbraw/zinc/80/20/58/493802058.db2.gz ABLMRALCRFJMIE-ZDUSSCGKSA-N -1 3 353.466 3.076 20 0 FGADHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3=O)cc2)cc1 ZINC000029047347 493812480 /nfs/dbraw/zinc/81/24/80/493812480.db2.gz BQBWWMVHGHOJHH-UHFFFAOYSA-N -1 3 374.462 3.403 20 0 FGADHM CC[C@@H](CNC(=O)c1cc(=O)[n-]c(C2CC2)n1)Oc1cccc(Cl)c1 ZINC000577188513 505683431 /nfs/dbraw/zinc/68/34/31/505683431.db2.gz FUXIDMDRRSNMLN-ZDUSSCGKSA-N -1 3 361.829 3.300 20 0 FGADHM CO[C@@H](C)C(=O)Nc1cccc(NC(=O)c2cc3c(cc2[O-])CCCC3)c1 ZINC000068541861 493837338 /nfs/dbraw/zinc/83/73/38/493837338.db2.gz JMMUIYCPYNYIED-ZDUSSCGKSA-N -1 3 368.433 3.497 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C1CCOCC1 ZINC000081186806 493845299 /nfs/dbraw/zinc/84/52/99/493845299.db2.gz NDZOVYLAOAOMOE-AWEZNQCLSA-N -1 3 352.283 3.477 20 0 FGADHM CC[C@@H](C)Oc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)cc1 ZINC000068650078 493849653 /nfs/dbraw/zinc/84/96/53/493849653.db2.gz HJGUYGKMEGFHAV-LLVKDONJSA-N -1 3 353.378 3.392 20 0 FGADHM CC(C)(C)NC(=O)c1cccc(NC(=O)c2c[n-]c3ccccc3c2=O)c1 ZINC000058460486 493856749 /nfs/dbraw/zinc/85/67/49/493856749.db2.gz ZQYMREAJCUUQOH-UHFFFAOYSA-N -1 3 363.417 3.309 20 0 FGADHM CC(C)(C)NC(=O)c1cccc(NC(=O)c2cnc3ccccc3c2[O-])c1 ZINC000058460486 493856751 /nfs/dbraw/zinc/85/67/51/493856751.db2.gz ZQYMREAJCUUQOH-UHFFFAOYSA-N -1 3 363.417 3.309 20 0 FGADHM O=S(=O)([N-]Cc1sccc1Br)c1ccc(F)c(F)c1 ZINC000058511013 493861072 /nfs/dbraw/zinc/86/10/72/493861072.db2.gz IPEIJWUVTNIKBA-UHFFFAOYSA-N -1 3 368.224 3.267 20 0 FGADHM CCN(CC[N-]S(=O)(=O)c1ccc(F)c(F)c1)c1ccccc1C ZINC000058562740 493865529 /nfs/dbraw/zinc/86/55/29/493865529.db2.gz FDNKDYMRYBWCIQ-UHFFFAOYSA-N -1 3 354.422 3.078 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)COc3cccc(C)c3)c2)n1 ZINC000049301715 493868998 /nfs/dbraw/zinc/86/89/98/493868998.db2.gz ORADNSKHSPTPTL-UHFFFAOYSA-N -1 3 363.417 3.325 20 0 FGADHM O=S(=O)([N-]CCCN1CCc2ccccc21)c1ccc(Cl)s1 ZINC000030008831 493874038 /nfs/dbraw/zinc/87/40/38/493874038.db2.gz GLBJODZCJNMVDY-UHFFFAOYSA-N -1 3 356.900 3.133 20 0 FGADHM CC(C)COC[C@@H]([N-]S(=O)(=O)Cc1cccc(F)c1)c1ccco1 ZINC000068908287 493893544 /nfs/dbraw/zinc/89/35/44/493893544.db2.gz XNWSZXNMXOBGBY-MRXNPFEDSA-N -1 3 355.431 3.252 20 0 FGADHM O=C(Cc1cccc2ccccc21)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000030661422 493902829 /nfs/dbraw/zinc/90/28/29/493902829.db2.gz BETRRJNVCUCLSW-UHFFFAOYSA-N -1 3 374.440 3.073 20 0 FGADHM O=C(Cc1ccccc1)N1CCC[C@H]1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000060065202 493913993 /nfs/dbraw/zinc/91/39/93/493913993.db2.gz ZKRBPQMFTIJSDG-INIZCTEOSA-N -1 3 358.825 3.218 20 0 FGADHM COc1ccc(CN[C@@H](C(=O)[O-])c2ccccc2)cc1Br ZINC000050509687 493919392 /nfs/dbraw/zinc/91/93/92/493919392.db2.gz AUNGJLJQDXZZFW-OAHLLOKOSA-N -1 3 350.212 3.373 20 0 FGADHM O=C(Nc1cccc(OC[C@@H]2CCCO2)c1)c1cc(-c2ccco2)[n-]n1 ZINC000031267818 493936616 /nfs/dbraw/zinc/93/66/16/493936616.db2.gz PXPFOMWMEDKGMU-HNNXBMFYSA-N -1 3 353.378 3.480 20 0 FGADHM O=C(Nc1cccc(OC[C@@H]2CCCO2)c1)c1cc(-c2ccco2)n[n-]1 ZINC000031267818 493936617 /nfs/dbraw/zinc/93/66/17/493936617.db2.gz PXPFOMWMEDKGMU-HNNXBMFYSA-N -1 3 353.378 3.480 20 0 FGADHM CC(C)c1ccc(-n2cc([O-])c(C(=O)N(C)[C@H]3CCN(C)C[C@H]3C)n2)cc1 ZINC000081729422 493948176 /nfs/dbraw/zinc/94/81/76/493948176.db2.gz HEBQVTZQSACCGC-QAPCUYQASA-N -1 3 370.497 3.114 20 0 FGADHM CCCCCC(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000061111230 493965413 /nfs/dbraw/zinc/96/54/13/493965413.db2.gz ZMHVIIZKTQSQSI-UHFFFAOYSA-N -1 3 352.378 3.046 20 0 FGADHM CS(=O)(=O)[N-]c1cc(NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)ccc1F ZINC000032001902 493970410 /nfs/dbraw/zinc/97/04/10/493970410.db2.gz DZNCFCJGSHTKJQ-KGLIPLIRSA-N -1 3 366.389 3.079 20 0 FGADHM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(N3CCOCC3)cc2C)c1 ZINC000032094615 493974414 /nfs/dbraw/zinc/97/44/14/493974414.db2.gz LJAIJPRNKJQDQA-UHFFFAOYSA-N -1 3 360.479 3.249 20 0 FGADHM Cc1ccc(F)c(S(=O)(=O)[N-]C2(c3ccc(F)cc3)CCOCC2)c1 ZINC000076832608 493977141 /nfs/dbraw/zinc/97/71/41/493977141.db2.gz GLOLBZOMTKZNNR-UHFFFAOYSA-N -1 3 367.417 3.257 20 0 FGADHM CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000032419911 493988259 /nfs/dbraw/zinc/98/82/59/493988259.db2.gz QBBOGGXKSWNSQK-JKSUJKDBSA-N -1 3 352.500 3.393 20 0 FGADHM Cc1occc1C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000076921312 493988613 /nfs/dbraw/zinc/98/86/13/493988613.db2.gz LOVDJQMFSXBOAB-UHFFFAOYSA-N -1 3 354.403 3.056 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)C3CC3)c2)cc1C ZINC000032590913 493998315 /nfs/dbraw/zinc/99/83/15/493998315.db2.gz FOESLGYGYBKGCN-UHFFFAOYSA-N -1 3 360.435 3.153 20 0 FGADHM CC(C)(C)c1ccc(-c2cc([N-]C(=O)Cn3ccccc3=O)on2)cc1 ZINC000077009485 494008939 /nfs/dbraw/zinc/00/89/39/494008939.db2.gz HDPGMIIOEPVHCP-UHFFFAOYSA-N -1 3 351.406 3.440 20 0 FGADHM CC[C@H]1CCC[C@@H](NC(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)C1 ZINC000077135785 494020761 /nfs/dbraw/zinc/02/07/61/494020761.db2.gz HLSRJCZFBZHVLE-DOTOQJQBSA-N -1 3 368.481 3.158 20 0 FGADHM O=C(Cc1nc(=O)c2c3ccccc3sc2[n-]1)Nc1ccc(F)cc1 ZINC000077251850 494043227 /nfs/dbraw/zinc/04/32/27/494043227.db2.gz ZDHNLTDZFWMUEE-UHFFFAOYSA-N -1 3 353.378 3.458 20 0 FGADHM Cc1n[nH]cc1C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000063444730 494055162 /nfs/dbraw/zinc/05/51/62/494055162.db2.gz NCZJMZHQMNHITA-UHFFFAOYSA-N -1 3 370.434 3.080 20 0 FGADHM Cc1[nH]ncc1C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000063444730 494055164 /nfs/dbraw/zinc/05/51/64/494055164.db2.gz NCZJMZHQMNHITA-UHFFFAOYSA-N -1 3 370.434 3.080 20 0 FGADHM COC(=O)c1cc([N-]S(=O)(=O)CCc2ccccc2)ccc1Cl ZINC000036110574 494087857 /nfs/dbraw/zinc/08/78/57/494087857.db2.gz XWSJIIZGYNGPEX-UHFFFAOYSA-N -1 3 353.827 3.111 20 0 FGADHM CC[C@@H](C)CN(CC)C(=O)C(=O)[N-]c1scc(C2CC2)c1C(=O)OC ZINC000084725637 494092745 /nfs/dbraw/zinc/09/27/45/494092745.db2.gz QKFLZMBBNBBVGF-LLVKDONJSA-N -1 3 366.483 3.245 20 0 FGADHM Cc1cn2cc([N-]S(=O)(=O)c3ccc(Br)cc3)ccc2n1 ZINC000071555987 494094092 /nfs/dbraw/zinc/09/40/92/494094092.db2.gz OALKBSJAUXEXBH-UHFFFAOYSA-N -1 3 366.240 3.206 20 0 FGADHM Cn1cc(Br)c(=NC(=O)c2ccccc2COC(C)(C)C)[n-]1 ZINC000571287425 505699282 /nfs/dbraw/zinc/69/92/82/505699282.db2.gz SBNFNLBRJBUWBV-UHFFFAOYSA-N -1 3 366.259 3.172 20 0 FGADHM O=C(NCc1cccc(OCc2ccccc2)c1)c1ccc2n[n-]nc2c1 ZINC000071961135 494112236 /nfs/dbraw/zinc/11/22/36/494112236.db2.gz OMRXTHPNMLMLEW-UHFFFAOYSA-N -1 3 358.401 3.467 20 0 FGADHM COc1ccc(C(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)c(OC)c1 ZINC000064342352 494115528 /nfs/dbraw/zinc/11/55/28/494115528.db2.gz XCIMMEGYZKSWMT-UHFFFAOYSA-N -1 3 365.389 3.015 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)N(CCCO)[C@H]1CCc2ccccc21 ZINC000085407102 494121860 /nfs/dbraw/zinc/12/18/60/494121860.db2.gz XYBQORCFPFBKSS-SFHVURJKSA-N -1 3 358.413 3.113 20 0 FGADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2csc(C3CCCC3)n2)CC1 ZINC000085785721 494138720 /nfs/dbraw/zinc/13/87/20/494138720.db2.gz WRNWFBXDIPMTFE-UHFFFAOYSA-N -1 3 371.506 3.464 20 0 FGADHM Cc1nn(C)c2nc(C)c(CCC(=O)Nc3ccc(C)cc3[O-])c(C)c12 ZINC000010891036 494163621 /nfs/dbraw/zinc/16/36/21/494163621.db2.gz AHDXNRBHDHXRLG-UHFFFAOYSA-N -1 3 352.438 3.479 20 0 FGADHM CCCc1ccc([C@@H](NC(=O)Cc2c(C)nc(C)[n-]c2=O)C(C)C)cc1 ZINC000041614549 494170738 /nfs/dbraw/zinc/17/07/38/494170738.db2.gz MFZPYSMLEVYWAX-FQEVSTJZSA-N -1 3 355.482 3.395 20 0 FGADHM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3cc(F)ccc3F)cc2C[C@@H]1C ZINC000011175402 494171401 /nfs/dbraw/zinc/17/14/01/494171401.db2.gz LWPXRBGHXRZKPL-JTQLQIEISA-N -1 3 366.389 3.063 20 0 FGADHM CSc1nnc(CCCNC(=O)c2ccc(C)cc2[O-])n1C1CCCC1 ZINC000041836639 494182841 /nfs/dbraw/zinc/18/28/41/494182841.db2.gz MPMAZCFWZGTYQE-UHFFFAOYSA-N -1 3 374.510 3.492 20 0 FGADHM CN(Cc1ccc(Br)o1)C(=O)c1c[n-]c2ccccc2c1=O ZINC000042060458 494197868 /nfs/dbraw/zinc/19/78/68/494197868.db2.gz ZVZRLSMXAIJNRP-UHFFFAOYSA-N -1 3 361.195 3.156 20 0 FGADHM CCNC(=O)COc1cccc(NC(=O)c2cc3c(cc2[O-])CCCC3)c1 ZINC000065618226 494220165 /nfs/dbraw/zinc/22/01/65/494220165.db2.gz HDBSMODUZOQMNU-UHFFFAOYSA-N -1 3 368.433 3.038 20 0 FGADHM O=C(Nc1ccc(N2CCNC2=O)cc1)c1cc2c(cc1[O-])CCCC2 ZINC000065618108 494220572 /nfs/dbraw/zinc/22/05/72/494220572.db2.gz OLJOUAIDILTNMI-UHFFFAOYSA-N -1 3 351.406 3.053 20 0 FGADHM CC[C@H](c1nnc([N-]C(=O)c2ccc(OC)nn2)s1)c1ccccc1 ZINC000078117640 494236392 /nfs/dbraw/zinc/23/63/92/494236392.db2.gz QRCIEKXWQLAVQV-LBPRGKRZSA-N -1 3 355.423 3.131 20 0 FGADHM CC[C@H](NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)c1ccc(Cl)cc1 ZINC000065776878 494236532 /nfs/dbraw/zinc/23/65/32/494236532.db2.gz MPNBBMOQLYBQDN-HNNXBMFYSA-N -1 3 357.797 3.496 20 0 FGADHM Cc1ccc([C@@H]2OCCC[C@H]2[N-]S(=O)(=O)Cc2ccccc2F)cc1 ZINC000072730016 494242594 /nfs/dbraw/zinc/24/25/94/494242594.db2.gz ZHYSZXQIWMUXIS-MOPGFXCFSA-N -1 3 363.454 3.474 20 0 FGADHM Cc1ccc([C@H]2OCCC[C@H]2[N-]S(=O)(=O)Cc2ccccc2F)cc1 ZINC000072730015 494242763 /nfs/dbraw/zinc/24/27/63/494242763.db2.gz ZHYSZXQIWMUXIS-RTBURBONSA-N -1 3 363.454 3.474 20 0 FGADHM CCc1cccc(C)c1NC(=O)CC[N-]S(=O)(=O)c1ccccc1F ZINC000078225598 494256600 /nfs/dbraw/zinc/25/66/00/494256600.db2.gz QIBJQPWGACUHLN-UHFFFAOYSA-N -1 3 364.442 3.004 20 0 FGADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CCC(OC[C@H]2CCCCO2)CC1 ZINC000078248847 494261558 /nfs/dbraw/zinc/26/15/58/494261558.db2.gz VLCLAUOFCCBESA-LJQANCHMSA-N -1 3 373.493 3.461 20 0 FGADHM COc1cccc(C(=O)N(C)Cc2ccc(Br)s2)c1[O-] ZINC000078308962 494275162 /nfs/dbraw/zinc/27/51/62/494275162.db2.gz FFHCHXYBDJAFNM-UHFFFAOYSA-N -1 3 356.241 3.497 20 0 FGADHM COC(=O)[C@H]1CCCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000066144524 494279436 /nfs/dbraw/zinc/27/94/36/494279436.db2.gz QZPANXSBZCRRPN-KRWDZBQOSA-N -1 3 353.418 3.008 20 0 FGADHM CCCc1nnc([N-]C(=O)c2nnn(-c3cccc(Cl)c3)c2C)s1 ZINC000055010891 494289898 /nfs/dbraw/zinc/28/98/98/494289898.db2.gz OWDIFNWPPOXAMH-UHFFFAOYSA-N -1 3 362.846 3.285 20 0 FGADHM Cc1nc(C)c(CC(=O)N2CCC[C@H]2c2ccc(C(C)C)cc2)c(=O)[n-]1 ZINC000089356973 494294058 /nfs/dbraw/zinc/29/40/58/494294058.db2.gz CRVUZVRMRUHIHL-IBGZPJMESA-N -1 3 353.466 3.416 20 0 FGADHM CCc1onc(C)c1[N-]C(=O)c1nnn(-c2cccc3cccnc32)c1C ZINC000089394335 494299911 /nfs/dbraw/zinc/29/99/11/494299911.db2.gz UTQLTNHMYOQLBM-UHFFFAOYSA-N -1 3 362.393 3.235 20 0 FGADHM Cc1noc(C)c1[C@H](C)[N-]S(=O)(=O)c1ccccc1Br ZINC000072992902 494301056 /nfs/dbraw/zinc/30/10/56/494301056.db2.gz NILMTTFKENXEMT-VIFPVBQESA-N -1 3 359.245 3.093 20 0 FGADHM Cc1cccc(C(=O)NCc2ccc(NC(=O)c3ccco3)cc2)c1[O-] ZINC000078479607 494303506 /nfs/dbraw/zinc/30/35/06/494303506.db2.gz RHGATQRYHGSKAW-UHFFFAOYSA-N -1 3 350.374 3.476 20 0 FGADHM COc1cc(F)c(S(=O)(=O)[N-][C@@H](C)Cc2ccccc2C)cc1OC ZINC000055265813 494320240 /nfs/dbraw/zinc/32/02/40/494320240.db2.gz GHCCBTCQOINSJX-ZDUSSCGKSA-N -1 3 367.442 3.061 20 0 FGADHM CSc1nnc(CCCNC(=O)c2cccc(C)c2[O-])n1CC(C)C ZINC000078567007 494320608 /nfs/dbraw/zinc/32/06/08/494320608.db2.gz AFKZKPYQAUMYAR-UHFFFAOYSA-N -1 3 362.499 3.033 20 0 FGADHM O=C(NC[C@@H](c1ccco1)N1CCCCC1)c1cc(=O)c2ccccc2[n-]1 ZINC000055415946 494341111 /nfs/dbraw/zinc/34/11/11/494341111.db2.gz JJPMIZIOWCXOFZ-SFHVURJKSA-N -1 3 365.433 3.078 20 0 FGADHM CCCCNC(=O)Cc1nc(=O)c2c(C)c(-c3ccccc3)sc2[n-]1 ZINC000055503166 494354026 /nfs/dbraw/zinc/35/40/26/494354026.db2.gz OIGQNXCWLLIMPE-UHFFFAOYSA-N -1 3 355.463 3.419 20 0 FGADHM CCOCCOCc1cccc([N-]S(=O)(=O)c2ccc(OC)cc2)c1 ZINC000055633269 494377805 /nfs/dbraw/zinc/37/78/05/494377805.db2.gz DSSNCXZFJAGBAC-UHFFFAOYSA-N -1 3 365.451 3.049 20 0 FGADHM CC[C@H](C)n1ncc(C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)c1C1CC1 ZINC000089852447 494381513 /nfs/dbraw/zinc/38/15/13/494381513.db2.gz RYJLOQYAPNHFPO-LBPRGKRZSA-N -1 3 365.441 3.088 20 0 FGADHM CC[C@H](C)n1ncc(C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)c1C1CC1 ZINC000089852447 494381516 /nfs/dbraw/zinc/38/15/16/494381516.db2.gz RYJLOQYAPNHFPO-LBPRGKRZSA-N -1 3 365.441 3.088 20 0 FGADHM CN(Cc1cccc(Cl)c1)C(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000044852828 494383904 /nfs/dbraw/zinc/38/39/04/494383904.db2.gz ABQWZLCUHHEEEG-QGZVFWFLSA-N -1 3 372.852 3.309 20 0 FGADHM CC(C)c1ccc(CN2CCN(C(=O)c3ccc4n[n-]nc4c3)CC2)cc1 ZINC000016497314 494392878 /nfs/dbraw/zinc/39/28/78/494392878.db2.gz SGGPVKJETGSMNZ-UHFFFAOYSA-N -1 3 363.465 3.039 20 0 FGADHM O=C(N[C@H]1CCC[C@@H](F)C1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000574208194 505720460 /nfs/dbraw/zinc/72/04/60/505720460.db2.gz IXRUBEOFXANIGH-MNOVXSKESA-N -1 3 367.218 3.301 20 0 FGADHM COc1cccc(C(=O)NCc2cccc(NC(=O)C3CCCC3)c2)c1[O-] ZINC000079156951 494412048 /nfs/dbraw/zinc/41/20/48/494412048.db2.gz CUUIZSREVSWVGL-UHFFFAOYSA-N -1 3 368.433 3.460 20 0 FGADHM CS(=O)(=O)[N-]c1ccc(C(=O)CSc2cc(F)ccc2F)cc1 ZINC000017948751 494420526 /nfs/dbraw/zinc/42/05/26/494420526.db2.gz QJPBWDKOLIFBLD-UHFFFAOYSA-N -1 3 357.403 3.311 20 0 FGADHM O=c1nc(CN2CCOC[C@@H]2C2CC2)[n-]c2scc(-c3ccccc3)c21 ZINC000090007429 494426714 /nfs/dbraw/zinc/42/67/14/494426714.db2.gz FFLQCZCDCHSSRY-MRXNPFEDSA-N -1 3 367.474 3.262 20 0 FGADHM CO[C@H](C)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000056061884 494448188 /nfs/dbraw/zinc/44/81/88/494448188.db2.gz YVBBROLMAZFBCL-LLVKDONJSA-N -1 3 368.842 3.114 20 0 FGADHM COc1cccc(CC[N-]S(=O)(=O)c2ccc(F)cc2Cl)c1OC ZINC000056109513 494456751 /nfs/dbraw/zinc/45/67/51/494456751.db2.gz 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Cc1cc(S(=O)(=O)[N-]c2cccc(C[S@@](C)=O)c2C)ccc1F ZINC000116712124 494842189 /nfs/dbraw/zinc/84/21/89/494842189.db2.gz QRROZCOGWKFRFG-QFIPXVFZSA-N -1 3 355.456 3.122 20 0 FGADHM Cc1ccc(-c2cncc(C(=O)Nc3ccc(-c4nnn[n-]4)cc3)c2)cc1 ZINC000126836492 494847250 /nfs/dbraw/zinc/84/72/50/494847250.db2.gz SZECTEIHAKSTBY-UHFFFAOYSA-N -1 3 356.389 3.489 20 0 FGADHM Cc1ccc(-c2cncc(C(=O)Nc3ccc(-c4nn[n-]n4)cc3)c2)cc1 ZINC000126836492 494847252 /nfs/dbraw/zinc/84/72/52/494847252.db2.gz SZECTEIHAKSTBY-UHFFFAOYSA-N -1 3 356.389 3.489 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)Cc3cccc(F)c3F)c2)n1 ZINC000121732835 494847372 /nfs/dbraw/zinc/84/73/72/494847372.db2.gz LEORQPRWBHCGNQ-UHFFFAOYSA-N -1 3 369.371 3.459 20 0 FGADHM Cc1ccc([O-])c(C(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)c1 ZINC000121735864 494848051 /nfs/dbraw/zinc/84/80/51/494848051.db2.gz AXENTZZJNDXCFE-UHFFFAOYSA-N -1 3 364.445 3.398 20 0 FGADHM O=S(=O)(Cc1cccc(F)c1)[N-][C@H](c1nccs1)c1ccccc1 ZINC000109343214 494862020 /nfs/dbraw/zinc/86/20/20/494862020.db2.gz AMTNVPHZDMGHTM-INIZCTEOSA-N -1 3 362.451 3.491 20 0 FGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)COc1ccc2c(c1)CCCC2 ZINC000093314033 494866130 /nfs/dbraw/zinc/86/61/30/494866130.db2.gz RUZFCBZUQFUPES-UHFFFAOYSA-N -1 3 372.421 3.310 20 0 FGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000093313532 494866671 /nfs/dbraw/zinc/86/66/71/494866671.db2.gz YDLBQHDOWFLRLC-UWVGGRQHSA-N -1 3 364.348 3.434 20 0 FGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)[C@H](C)Oc1ccc(Cl)cc1 ZINC000093315399 494867254 /nfs/dbraw/zinc/86/72/54/494867254.db2.gz YECXKHKZMNREOM-JTQLQIEISA-N -1 3 366.801 3.473 20 0 FGADHM O=C(CC[S@](=O)c1ccc([O-])cc1)Nc1cccc(Br)c1 ZINC000132457332 494877913 /nfs/dbraw/zinc/87/79/13/494877913.db2.gz OVCRFSOTBDLDII-OAQYLSRUSA-N -1 3 368.252 3.291 20 0 FGADHM O=S(=O)([N-]C[C@@H]1CCC[C@@H](O)C1)c1cc2cc(Cl)ccc2s1 ZINC000121866034 494878109 /nfs/dbraw/zinc/87/81/09/494878109.db2.gz XACRMQAEJBBEJF-ZWNOBZJWSA-N -1 3 359.900 3.384 20 0 FGADHM Cc1cc(Cl)cc(NC(=O)CNC(=O)N2CCc3ccccc3C2)c1[O-] ZINC000116980465 494879263 /nfs/dbraw/zinc/87/92/63/494879263.db2.gz DODRJPTUZIQEGI-UHFFFAOYSA-N -1 3 373.840 3.060 20 0 FGADHM C[C@@H](Sc1n[n-]c(-c2ccccn2)n1)C(=O)NCc1ccc(Cl)cc1 ZINC000117115192 494893437 /nfs/dbraw/zinc/89/34/37/494893437.db2.gz BIDMXZQUNHNKTH-LLVKDONJSA-N -1 3 373.869 3.317 20 0 FGADHM COc1ccc([O-])c(C(=O)N[C@@H](c2cccc(F)c2)c2ccccn2)c1 ZINC000132586502 494895687 /nfs/dbraw/zinc/89/56/87/494895687.db2.gz AHTBMFJJKRWLNY-IBGZPJMESA-N -1 3 352.365 3.454 20 0 FGADHM Cc1cc(C(=O)Nc2n[n-]c(-c3ccccc3F)n2)nn1-c1ccccc1 ZINC000109624932 494898425 /nfs/dbraw/zinc/89/84/25/494898425.db2.gz FUFXLCKGUXINMA-UHFFFAOYSA-N -1 3 362.368 3.357 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]c2cccn(Cc3ccc(C)cc3)c2=O)s1 ZINC000132689062 494909997 /nfs/dbraw/zinc/90/99/97/494909997.db2.gz MDAVEJONDVZJJG-UHFFFAOYSA-N -1 3 374.487 3.376 20 0 FGADHM COc1cc(C(=O)N2CCc3c([nH]c4ccccc43)C2)cc(OC)c1[O-] ZINC000132752839 494918612 /nfs/dbraw/zinc/91/86/12/494918612.db2.gz ZCLINHIIMYOWBA-UHFFFAOYSA-N -1 3 352.390 3.089 20 0 FGADHM O=S(=O)([N-][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1)c1cccs1 ZINC000122214710 494940929 /nfs/dbraw/zinc/94/09/29/494940929.db2.gz HILNQFPCADFXII-SNVBAGLBSA-N -1 3 360.863 3.098 20 0 FGADHM O=S(=O)([N-][C@@H](c1ccccc1)C(F)(F)F)c1cccc2c1OCC2 ZINC000571512492 505751246 /nfs/dbraw/zinc/75/12/46/505751246.db2.gz CYOWWZAJFUWWHY-HNNXBMFYSA-N -1 3 357.353 3.203 20 0 FGADHM CCc1ccc([O-])c(C(=O)N2CSC[C@H]2C(=O)Nc2ccccc2F)c1 ZINC000094100438 494949263 /nfs/dbraw/zinc/94/92/63/494949263.db2.gz PZLBKNPSZVVKNI-INIZCTEOSA-N -1 3 374.437 3.248 20 0 FGADHM O=S(=O)([N-]CCNCc1ccc(Cl)c(Cl)c1)c1cccs1 ZINC000122265666 494949222 /nfs/dbraw/zinc/94/92/22/494949222.db2.gz NRTBVSLUMKDDFS-UHFFFAOYSA-N -1 3 365.307 3.123 20 0 FGADHM CC(C)Oc1cc(C[N-]S(=O)(=O)c2c(F)cccc2Cl)ccn1 ZINC000133155263 494977269 /nfs/dbraw/zinc/97/72/69/494977269.db2.gz KVAHHWVINNGQBK-UHFFFAOYSA-N -1 3 358.822 3.140 20 0 FGADHM COCCNC(=O)c1ccc(NCc2c(F)ccc([O-])c2F)cc1Cl ZINC000568693135 505754080 /nfs/dbraw/zinc/75/40/80/505754080.db2.gz NXFUEZPKQWXCDE-UHFFFAOYSA-N -1 3 370.783 3.312 20 0 FGADHM O=S(=O)([N-]CCNCc1cc2ccccc2o1)c1ccc(Cl)s1 ZINC000127784864 494997185 /nfs/dbraw/zinc/99/71/85/494997185.db2.gz BNUYEDXXUIDMNS-UHFFFAOYSA-N -1 3 370.883 3.216 20 0 FGADHM C[C@@H](CS(=O)(=O)[N-]c1ccc(C(=O)NC2CC2)cc1)c1ccccc1 ZINC000133445362 495015186 /nfs/dbraw/zinc/01/51/86/495015186.db2.gz MMHGGVJYOKFTFD-AWEZNQCLSA-N -1 3 358.463 3.124 20 0 FGADHM CCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)Nc1ccccc1[O-] ZINC000122679300 495015292 /nfs/dbraw/zinc/01/52/92/495015292.db2.gz HTBYAXMKESIEMK-INIZCTEOSA-N -1 3 359.401 3.138 20 0 FGADHM CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)[N-]c1c(F)cc(F)cc1F)C(=O)C2 ZINC000133516300 495023214 /nfs/dbraw/zinc/02/32/14/495023214.db2.gz RHUBGUQBHFKWFH-JDNHERCYSA-N -1 3 361.385 3.241 20 0 FGADHM CCO[C@H]1C[C@@H](N(C)C(=O)c2cc(NC(C)=O)ccc2[O-])C12CCCC2 ZINC000122740716 495023429 /nfs/dbraw/zinc/02/34/29/495023429.db2.gz FNHPWSSBBHVMBL-MSOLQXFVSA-N -1 3 360.454 3.160 20 0 FGADHM CC[C@H](C)NC(=O)c1ccc(NC(=O)c2cc(-c3ccco3)[n-]n2)cc1 ZINC000097152085 495026116 /nfs/dbraw/zinc/02/61/16/495026116.db2.gz BSKVRTUYGHYXCV-LBPRGKRZSA-N -1 3 352.394 3.450 20 0 FGADHM CC[C@H](C)NC(=O)c1ccc(NC(=O)c2cc(-c3ccco3)n[n-]2)cc1 ZINC000097152085 495026120 /nfs/dbraw/zinc/02/61/20/495026120.db2.gz BSKVRTUYGHYXCV-LBPRGKRZSA-N -1 3 352.394 3.450 20 0 FGADHM C[C@H]1CCCC[C@@H]1NC(=O)Cc1csc(NC(=O)c2cccc([O-])c2)n1 ZINC000118756687 495032325 /nfs/dbraw/zinc/03/23/25/495032325.db2.gz YFGNYZLAACNWQL-LRDDRELGSA-N -1 3 373.478 3.338 20 0 FGADHM O=C(Cc1csc(NC(=O)c2cccc([O-])c2)n1)NCc1cccs1 ZINC000118757556 495032426 /nfs/dbraw/zinc/03/24/26/495032426.db2.gz XEKJZOOSIVEHRV-UHFFFAOYSA-N -1 3 373.459 3.021 20 0 FGADHM COc1ccc([O-])c(C(=O)N(Cc2cccc(F)c2)C[C@H]2CCCO2)c1 ZINC000122866460 495042885 /nfs/dbraw/zinc/04/28/85/495042885.db2.gz DTBOGJVXOARVGX-QGZVFWFLSA-N -1 3 359.397 3.361 20 0 FGADHM Cc1ccc(C(=O)N2CCC[C@@H](c3nnc4ccccn43)C2)c([O-])c1C ZINC000133812341 495065143 /nfs/dbraw/zinc/06/51/43/495065143.db2.gz CCYLLNBYWXJYMP-OAHLLOKOSA-N -1 3 350.422 3.072 20 0 FGADHM CCN(C(=O)c1cc(NC(C)=O)ccc1[O-])[C@H](COC)Cc1ccccc1 ZINC000123006252 495066088 /nfs/dbraw/zinc/06/60/88/495066088.db2.gz LWUMCKVQLFBJTJ-SFHVURJKSA-N -1 3 370.449 3.070 20 0 FGADHM CO[C@H](CNC(=O)NCc1ccc([O-])c(Br)c1)C(C)(C)C ZINC000133922716 495081260 /nfs/dbraw/zinc/08/12/60/495081260.db2.gz KHEDVXNDOCSKAY-CYBMUJFWSA-N -1 3 359.264 3.015 20 0 FGADHM O=C(CCCc1ncc(-c2ccccc2)o1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000123107995 495081679 /nfs/dbraw/zinc/08/16/79/495081679.db2.gz OMKKTXCSEQBRHD-UHFFFAOYSA-N -1 3 374.404 3.483 20 0 FGADHM O=C(CCCc1ncc(-c2ccccc2)o1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000123107995 495081680 /nfs/dbraw/zinc/08/16/80/495081680.db2.gz OMKKTXCSEQBRHD-UHFFFAOYSA-N -1 3 374.404 3.483 20 0 FGADHM CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000123117030 495082931 /nfs/dbraw/zinc/08/29/31/495082931.db2.gz ZMRXFOOFPFFDSQ-IEBWSBKVSA-N -1 3 353.466 3.114 20 0 FGADHM CCc1ccc([O-])c(C(=O)N(C)[C@H]2CCN(c3ccccc3Cl)C2=O)c1 ZINC000111636101 495091001 /nfs/dbraw/zinc/09/10/01/495091001.db2.gz HIYCXBGXJYWITG-KRWDZBQOSA-N -1 3 372.852 3.486 20 0 FGADHM O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)c1c[n-]nc1-c1ccccc1F ZINC000123175960 495091740 /nfs/dbraw/zinc/09/17/40/495091740.db2.gz ZHYGDTKAUDRCFS-UHFFFAOYSA-N -1 3 366.274 3.175 20 0 FGADHM O=C(NCCOCc1ccc(Cl)cc1Cl)c1cccc2nn[n-]c21 ZINC000119118770 495097579 /nfs/dbraw/zinc/09/75/79/495097579.db2.gz QGZGPDQMFKPWGA-UHFFFAOYSA-N -1 3 365.220 3.211 20 0 FGADHM O=C(NCCOCc1ccc(Cl)cc1Cl)c1cccc2[n-]nnc21 ZINC000119118770 495097581 /nfs/dbraw/zinc/09/75/81/495097581.db2.gz QGZGPDQMFKPWGA-UHFFFAOYSA-N -1 3 365.220 3.211 20 0 FGADHM O=C(NCCOCc1ccc(Cl)cc1Cl)c1cccc2n[n-]nc21 ZINC000119118770 495097583 /nfs/dbraw/zinc/09/75/83/495097583.db2.gz QGZGPDQMFKPWGA-UHFFFAOYSA-N -1 3 365.220 3.211 20 0 FGADHM O=C(Nc1ccc2nc(-c3ccccn3)oc2c1)c1cccc2nn[n-]c21 ZINC000119126924 495099069 /nfs/dbraw/zinc/09/90/69/495099069.db2.gz YPAXIKSMVPUVIW-UHFFFAOYSA-N -1 3 356.345 3.413 20 0 FGADHM O=C(Nc1ccc2nc(-c3ccccn3)oc2c1)c1cccc2[n-]nnc21 ZINC000119126924 495099071 /nfs/dbraw/zinc/09/90/71/495099071.db2.gz YPAXIKSMVPUVIW-UHFFFAOYSA-N -1 3 356.345 3.413 20 0 FGADHM O=C(Nc1ccc2nc(-c3ccccn3)oc2c1)c1cccc2n[n-]nc21 ZINC000119126924 495099074 /nfs/dbraw/zinc/09/90/74/495099074.db2.gz YPAXIKSMVPUVIW-UHFFFAOYSA-N -1 3 356.345 3.413 20 0 FGADHM CCC(CC)[C@@H](O)C[N-]S(=O)(=O)c1ccc(-c2csc(C)n2)s1 ZINC000119129050 495099713 /nfs/dbraw/zinc/09/97/13/495099713.db2.gz JZKGDBSCUDDITK-ZDUSSCGKSA-N -1 3 374.553 3.255 20 0 FGADHM CCN(CC)[C@@H](C[N-]S(=O)(=O)c1cc2ccccc2o1)c1ccco1 ZINC000134056525 495099708 /nfs/dbraw/zinc/09/97/08/495099708.db2.gz HGCSAZNQXSTFOY-HNNXBMFYSA-N -1 3 362.451 3.387 20 0 FGADHM CC(=O)N1CCC(CCC(=O)Nc2ccc([O-])c(C(F)(F)F)c2)CC1 ZINC000134107023 495107021 /nfs/dbraw/zinc/10/70/21/495107021.db2.gz NYPUKKGCQNISAG-UHFFFAOYSA-N -1 3 358.360 3.388 20 0 FGADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000134132940 495110794 /nfs/dbraw/zinc/11/07/94/495110794.db2.gz WFPXJYOJWWJDGL-SNVBAGLBSA-N -1 3 356.344 3.141 20 0 FGADHM COC(=O)c1c(C)nc(=O)[n-]c1S[C@H](C)c1ncc(-c2ccccc2)o1 ZINC000123337196 495116624 /nfs/dbraw/zinc/11/66/24/495116624.db2.gz MAWSHRSFFHTTFW-LLVKDONJSA-N -1 3 371.418 3.373 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-][C@@H]1c2cccc(F)c2CC[C@@H]1C ZINC000123407919 495127649 /nfs/dbraw/zinc/12/76/49/495127649.db2.gz MADXLWUULJKWQX-BONVTDFDSA-N -1 3 355.456 3.498 20 0 FGADHM Cc1ocnc1C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000102321224 495129176 /nfs/dbraw/zinc/12/91/76/495129176.db2.gz AFTNKSAWHXICPJ-UHFFFAOYSA-N -1 3 371.418 3.345 20 0 FGADHM Cc1ccc(-c2nc(CCNC(=O)c3c[n-]c4ccccc4c3=O)co2)cc1 ZINC000102358971 495131464 /nfs/dbraw/zinc/13/14/64/495131464.db2.gz GEYKLGMQAGODDQ-UHFFFAOYSA-N -1 3 373.412 3.464 20 0 FGADHM Cn1ccnc1-c1cc(NC(=O)[C@H]2C[C@@H]2c2c(F)cccc2Cl)n[n-]1 ZINC000119284858 495133750 /nfs/dbraw/zinc/13/37/50/495133750.db2.gz IHPSKLIOKVUQQG-UWVGGRQHSA-N -1 3 359.792 3.345 20 0 FGADHM Cn1ccnc1-c1cc(NC(=O)[C@H]2C[C@@H]2c2c(F)cccc2Cl)[n-]n1 ZINC000119284858 495133753 /nfs/dbraw/zinc/13/37/53/495133753.db2.gz IHPSKLIOKVUQQG-UWVGGRQHSA-N -1 3 359.792 3.345 20 0 FGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]CCCOC(C)C)s2)cs1 ZINC000119293988 495136235 /nfs/dbraw/zinc/13/62/35/495136235.db2.gz XQBUJHKLFHUMHA-UHFFFAOYSA-N -1 3 360.526 3.273 20 0 FGADHM C[C@@H]1CC[C@@H](C)N1C(=O)Cc1csc(NC(=O)c2cccc([O-])c2)n1 ZINC000119297669 495137034 /nfs/dbraw/zinc/13/70/34/495137034.db2.gz ILCKPCXKDAAHQK-VXGBXAGGSA-N -1 3 359.451 3.043 20 0 FGADHM CC[C@H]1CN(C(=O)c2cnc3c(cnn3C)c2[O-])CC[C@@H]1c1ccccc1 ZINC000119306579 495138218 /nfs/dbraw/zinc/13/82/18/495138218.db2.gz NNIQRUOGJZOSSI-HOCLYGCPSA-N -1 3 364.449 3.330 20 0 FGADHM Cn1ccnc1-c1cc(NC(=O)c2cnc(-c3ccccc3)s2)n[n-]1 ZINC000119321954 495141080 /nfs/dbraw/zinc/14/10/80/495141080.db2.gz TWLWBRDAHRQEBV-UHFFFAOYSA-N -1 3 350.407 3.186 20 0 FGADHM Cn1ccnc1-c1cc(NC(=O)c2cnc(-c3ccccc3)s2)[n-]n1 ZINC000119321954 495141085 /nfs/dbraw/zinc/14/10/85/495141085.db2.gz TWLWBRDAHRQEBV-UHFFFAOYSA-N -1 3 350.407 3.186 20 0 FGADHM CC(=O)N[C@H](CC(=O)Nc1cccc([O-])c1F)c1ccc(Cl)cc1 ZINC000128733260 495142897 /nfs/dbraw/zinc/14/28/97/495142897.db2.gz BKDDINSTGXAYRM-CQSZACIVSA-N -1 3 350.777 3.391 20 0 FGADHM COc1ccc([O-])c(C(=O)Nc2cccc(-c3n[nH]c(C4CC4)n3)c2)c1 ZINC000102626318 495146890 /nfs/dbraw/zinc/14/68/90/495146890.db2.gz ANGAMZTZNRYAPU-UHFFFAOYSA-N -1 3 350.378 3.316 20 0 FGADHM O=C(Nc1cccc(-c2n[nH]c(C3CC3)n2)c1)c1c[n-]c2ccccc2c1=O ZINC000102651518 495150846 /nfs/dbraw/zinc/15/08/46/495150846.db2.gz LGJOAGMYPIUBQM-UHFFFAOYSA-N -1 3 371.400 3.443 20 0 FGADHM O=C(Nc1cccc(-c2n[nH]c(C3CC3)n2)c1)c1cnc2ccccc2c1[O-] ZINC000102651518 495150850 /nfs/dbraw/zinc/15/08/50/495150850.db2.gz LGJOAGMYPIUBQM-UHFFFAOYSA-N -1 3 371.400 3.443 20 0 FGADHM 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Cc1cc(C)n(-c2ccc([C@@H](C)[N-]S(=O)(=O)c3c(C)noc3C)cc2)n1 ZINC000150836862 495651167 /nfs/dbraw/zinc/65/11/67/495651167.db2.gz RPURKETYFYBGMF-CYBMUJFWSA-N -1 3 374.466 3.133 20 0 FGADHM C[C@H](NC(=O)c1cccc2nn[n-]c21)c1ccc(OC(F)(F)F)cc1 ZINC000182707558 495671336 /nfs/dbraw/zinc/67/13/36/495671336.db2.gz VGXSHZKTJCPRET-VIFPVBQESA-N -1 3 350.300 3.348 20 0 FGADHM C[C@H](NC(=O)c1cccc2[n-]nnc21)c1ccc(OC(F)(F)F)cc1 ZINC000182707558 495671340 /nfs/dbraw/zinc/67/13/40/495671340.db2.gz VGXSHZKTJCPRET-VIFPVBQESA-N -1 3 350.300 3.348 20 0 FGADHM C[C@H](NC(=O)c1cccc2n[n-]nc21)c1ccc(OC(F)(F)F)cc1 ZINC000182707558 495671344 /nfs/dbraw/zinc/67/13/44/495671344.db2.gz VGXSHZKTJCPRET-VIFPVBQESA-N -1 3 350.300 3.348 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)Nc2ccc(OC(C)C)cc2F)c([O-])c1 ZINC000185702236 495687967 /nfs/dbraw/zinc/68/79/67/495687967.db2.gz CNUNTKFWSWKUKB-UHFFFAOYSA-N -1 3 374.412 3.386 20 0 FGADHM Cc1ccc(CNC(=O)NCc2ccc([O-])c(F)c2)c(O[C@H]2CCOC2)c1 ZINC000150941649 495689120 /nfs/dbraw/zinc/68/91/20/495689120.db2.gz AFDRHZIDIFANNY-INIZCTEOSA-N -1 3 374.412 3.007 20 0 FGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@@H]2C[C@@]2(C)C(C)C)cc1OC ZINC000185705496 495689263 /nfs/dbraw/zinc/68/92/63/495689263.db2.gz IVKPCIQYSWJBGL-GUYCJALGSA-N -1 3 354.472 3.078 20 0 FGADHM COc1ccccc1O[C@H](C)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000173780389 495690479 /nfs/dbraw/zinc/69/04/79/495690479.db2.gz GRJASNACSOOZRB-SNVBAGLBSA-N -1 3 361.872 3.156 20 0 FGADHM COc1nnc(NC(=O)c2cccnc2Sc2ccc(C)cc2C)[n-]1 ZINC000179704180 495698431 /nfs/dbraw/zinc/69/84/31/495698431.db2.gz UDPLWECLSUQAJJ-UHFFFAOYSA-N -1 3 355.423 3.229 20 0 FGADHM COc1nc(NC(=O)c2cccnc2Sc2ccc(C)cc2C)n[n-]1 ZINC000179704180 495698433 /nfs/dbraw/zinc/69/84/33/495698433.db2.gz UDPLWECLSUQAJJ-UHFFFAOYSA-N -1 3 355.423 3.229 20 0 FGADHM COc1n[n-]c(NC(=O)c2cccnc2Sc2ccc(C)cc2C)n1 ZINC000179704180 495698436 /nfs/dbraw/zinc/69/84/36/495698436.db2.gz UDPLWECLSUQAJJ-UHFFFAOYSA-N -1 3 355.423 3.229 20 0 FGADHM CC(C)Oc1ccc(S(=O)(=O)[N-]c2cccc(-c3nncn3C)c2)cc1 ZINC000179726679 495706250 /nfs/dbraw/zinc/70/62/50/495706250.db2.gz NXTCRIBJSHAZJC-UHFFFAOYSA-N -1 3 372.450 3.070 20 0 FGADHM Cc1oc2ncn(C)c(=O)c2c1C(=O)[N-]c1cc(C(F)(F)F)ccc1F ZINC000171070876 495711404 /nfs/dbraw/zinc/71/14/04/495711404.db2.gz MMZYEUWQOIALOB-UHFFFAOYSA-N -1 3 369.274 3.245 20 0 FGADHM COc1cc(C(=O)NC[C@@]2(C)CCCc3ccccc32)cc(OC)c1[O-] ZINC000182824714 495717073 /nfs/dbraw/zinc/71/70/73/495717073.db2.gz JEIMAIKAHXTCRH-OAQYLSRUSA-N -1 3 355.434 3.433 20 0 FGADHM COc1cc(C(=O)NC[C@]2(C)CCCc3ccccc32)cc(OC)c1[O-] ZINC000182824738 495717096 /nfs/dbraw/zinc/71/70/96/495717096.db2.gz JEIMAIKAHXTCRH-NRFANRHFSA-N -1 3 355.434 3.433 20 0 FGADHM CN1CCC[C@H](C[N-]S(=O)(=O)c2sc3ccccc3c2Cl)C1 ZINC000580619798 505799275 /nfs/dbraw/zinc/79/92/75/505799275.db2.gz USRQQOCTWBHSMM-LLVKDONJSA-N -1 3 358.916 3.175 20 0 FGADHM O=C(c1ccccc1NCc1nc(C(F)(F)F)cc(=O)[n-]1)N1CCCC1 ZINC000179759008 495722379 /nfs/dbraw/zinc/72/23/79/495722379.db2.gz HSUUQVWPSHPWNN-UHFFFAOYSA-N -1 3 366.343 3.049 20 0 FGADHM CC(C)(COc1ncccc1C(F)(F)F)NC(=O)c1cccc([O-])c1 ZINC000182853216 495728656 /nfs/dbraw/zinc/72/86/56/495728656.db2.gz PPNNGHFQGZDTSH-UHFFFAOYSA-N -1 3 354.328 3.393 20 0 FGADHM Cc1ccc([O-])c(C(=O)N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c1 ZINC000182863512 495732974 /nfs/dbraw/zinc/73/29/74/495732974.db2.gz QIRZQLOKROXDOI-LBPRGKRZSA-N -1 3 353.344 3.393 20 0 FGADHM CC[C@@](C)([N-]S(=O)(=O)Cc1noc2ccccc21)c1nc(C)cs1 ZINC000185845055 495748280 /nfs/dbraw/zinc/74/82/80/495748280.db2.gz WUDXHDCOYJSICY-MRXNPFEDSA-N -1 3 365.480 3.338 20 0 FGADHM CN(C)S(=O)(=O)c1ccc(F)c([N-]C(=O)c2cc3ccccc3o2)c1 ZINC000151174732 495762271 /nfs/dbraw/zinc/76/22/71/495762271.db2.gz UCQIYZHFFPMHEL-UHFFFAOYSA-N -1 3 362.382 3.075 20 0 FGADHM CC(=O)N[C@H](CC(=O)N1CCCc2cccc([O-])c21)c1c(F)cccc1F ZINC000182934987 495764050 /nfs/dbraw/zinc/76/40/50/495764050.db2.gz IPVXYNFHSWFUFA-MRXNPFEDSA-N -1 3 374.387 3.217 20 0 FGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)COc2cc(C)ccc2C)c1 ZINC000173973217 495770526 /nfs/dbraw/zinc/77/05/26/495770526.db2.gz CFUQYBPFRLJSSV-UHFFFAOYSA-N -1 3 362.451 3.001 20 0 FGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)c2ccc(OCC3CC3)cc2)c1 ZINC000173980636 495773996 /nfs/dbraw/zinc/77/39/96/495773996.db2.gz CJPJDLDXFJRZEZ-UHFFFAOYSA-N -1 3 374.462 3.408 20 0 FGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@H]1CCCCC1(C)C ZINC000176789698 495784837 /nfs/dbraw/zinc/78/48/37/495784837.db2.gz TVWLSJCAPRUPBU-KRWDZBQOSA-N -1 3 368.481 3.158 20 0 FGADHM CN1C[C@H](C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)CC1=O ZINC000179932670 495789322 /nfs/dbraw/zinc/78/93/22/495789322.db2.gz IFTFVWHACNFTIN-LLVKDONJSA-N -1 3 367.430 3.086 20 0 FGADHM COc1ccc(Cl)cc1N1C[C@H](C(=O)Nc2c(C)cccc2[O-])CC1=O ZINC000183020084 495800878 /nfs/dbraw/zinc/80/08/78/495800878.db2.gz GNPDZGMZWKOATL-GFCCVEGCSA-N -1 3 374.824 3.354 20 0 FGADHM CC(C)[C@H](O)C(C)(C)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000155015078 495804433 /nfs/dbraw/zinc/80/44/33/495804433.db2.gz GFRFKDABKJJZJJ-ZDUSSCGKSA-N -1 3 354.299 3.315 20 0 FGADHM O=C(C[C@@H]1CSCCS1)NCc1ccc([O-])c(Br)c1 ZINC000151396435 495826062 /nfs/dbraw/zinc/82/60/62/495826062.db2.gz HBBSTJAEXRWIFQ-SNVBAGLBSA-N -1 3 362.314 3.010 20 0 FGADHM COc1cccc2c1n[n-]c2C(=O)Nc1ccc(-n2cc(C)cn2)c(F)c1 ZINC000568917637 505807262 /nfs/dbraw/zinc/80/72/62/505807262.db2.gz ABGIRGKLELVBCU-UHFFFAOYSA-N -1 3 365.368 3.457 20 0 FGADHM COc1cccc2c(C(=O)Nc3ccc(-n4cc(C)cn4)c(F)c3)n[n-]c21 ZINC000568917637 505807264 /nfs/dbraw/zinc/80/72/64/505807264.db2.gz ABGIRGKLELVBCU-UHFFFAOYSA-N -1 3 365.368 3.457 20 0 FGADHM O=C(NC[C@H](c1cccs1)N1CCCC1)c1cc(F)c([O-])c(F)c1 ZINC000176952866 495855178 /nfs/dbraw/zinc/85/51/78/495855178.db2.gz XWVZMILHOMMELI-CQSZACIVSA-N -1 3 352.406 3.299 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3ccc(N4CCCC4)nc3)c[n-]c12 ZINC000155200972 495873797 /nfs/dbraw/zinc/87/37/97/495873797.db2.gz NQPBOGIIHPYAML-UHFFFAOYSA-N -1 3 366.396 3.223 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)Nc2ccc(F)cc2NC2CC2)c([O-])c1 ZINC000180157688 495884122 /nfs/dbraw/zinc/88/41/22/495884122.db2.gz UNDSYHFUBVSIFG-UHFFFAOYSA-N -1 3 371.412 3.173 20 0 FGADHM O=S(=O)([N-]CCC[C@H]1CCCCO1)c1ccccc1C(F)(F)F ZINC000186174431 495884994 /nfs/dbraw/zinc/88/49/94/495884994.db2.gz AAJXHOAKUOZBGI-GFCCVEGCSA-N -1 3 351.390 3.333 20 0 FGADHM O=C(NCCCc1nc2c(s1)CCCC2)c1c[n-]c2ccccc2c1=O ZINC000171463290 495885561 /nfs/dbraw/zinc/88/55/61/495885561.db2.gz OBEVZHFCIODKSV-UHFFFAOYSA-N -1 3 367.474 3.226 20 0 FGADHM O=C(N[C@H](c1ccccc1)c1cccnc1)c1c[n-]c2ccccc2c1=O ZINC000171485446 495897079 /nfs/dbraw/zinc/89/70/79/495897079.db2.gz KGXQXKFGWZEZOZ-HXUWFJFHSA-N -1 3 355.397 3.443 20 0 FGADHM COc1ccc(CC(=O)NCc2ccc([O-])c(Br)c2)cc1F ZINC000151621544 495897283 /nfs/dbraw/zinc/89/72/83/495897283.db2.gz YRNUBPBPQIKWNW-UHFFFAOYSA-N -1 3 368.202 3.161 20 0 FGADHM Cc1cc(F)c(S(=O)(=O)[N-]Cc2cc(COC(C)(C)C)on2)cc1F ZINC000186215055 495898973 /nfs/dbraw/zinc/89/89/73/495898973.db2.gz PFCHIVWESXMIOL-UHFFFAOYSA-N -1 3 374.409 3.055 20 0 FGADHM CCCc1ncc(C(=O)NCc2ccc([O-])c(Br)c2)s1 ZINC000151630044 495899626 /nfs/dbraw/zinc/89/96/26/495899626.db2.gz NVUVLEJQEUOHSD-UHFFFAOYSA-N -1 3 355.257 3.494 20 0 FGADHM COc1cccc(OC)c1S(=O)(=O)[N-][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000186231764 495907067 /nfs/dbraw/zinc/90/70/67/495907067.db2.gz YIAYCPKQVGMVLN-MNOVXSKESA-N -1 3 367.389 3.103 20 0 FGADHM Cc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3ccc([O-])cc3F)C2)cc1 ZINC000183267914 495907617 /nfs/dbraw/zinc/90/76/17/495907617.db2.gz JGMGWTCMGFOOKE-HNNXBMFYSA-N -1 3 356.397 3.331 20 0 FGADHM CN1C(=O)C[C@H](C(=O)Nc2ccc([O-])cc2F)[C@H]1c1cccc(Cl)c1 ZINC000183273128 495910002 /nfs/dbraw/zinc/91/00/02/495910002.db2.gz WNMJWEQXQRQQSG-SUMWQHHRSA-N -1 3 362.788 3.343 20 0 FGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)NCCCCC(C)(C)C ZINC000171520524 495910656 /nfs/dbraw/zinc/91/06/56/495910656.db2.gz HVORQNRDKDZTDP-UHFFFAOYSA-N -1 3 370.497 3.406 20 0 FGADHM CC1(C)C[C@H]([N-]S(=O)(=O)c2ccccc2C(F)(F)F)C(C)(C)O1 ZINC000183310218 495925028 /nfs/dbraw/zinc/92/50/28/495925028.db2.gz HCFAOTIHLAXNDK-LBPRGKRZSA-N -1 3 351.390 3.330 20 0 FGADHM Cc1ccc(-c2cc(C(=O)Nc3ccc4c(c3)CCC(=O)N4C)n[n-]2)o1 ZINC000171557778 495927199 /nfs/dbraw/zinc/92/71/99/495927199.db2.gz ZXGBFMNMFDTKHX-UHFFFAOYSA-N -1 3 350.378 3.139 20 0 FGADHM Cc1ccc(-c2cc(C(=O)Nc3ccc4c(c3)CCC(=O)N4C)[n-]n2)o1 ZINC000171557778 495927200 /nfs/dbraw/zinc/92/72/00/495927200.db2.gz ZXGBFMNMFDTKHX-UHFFFAOYSA-N -1 3 350.378 3.139 20 0 FGADHM C[C@@H]1CCN(C(=O)c2cccc(CS(C)(=O)=O)c2)c2c([O-])cccc21 ZINC000186300032 495934743 /nfs/dbraw/zinc/93/47/43/495934743.db2.gz YHEUFCRGSJOTNS-CYBMUJFWSA-N -1 3 359.447 3.091 20 0 FGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)[C@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000151767083 495940384 /nfs/dbraw/zinc/94/03/84/495940384.db2.gz BEWAWYMVBKIVBD-STQMWFEESA-N -1 3 371.803 3.079 20 0 FGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)[C@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000151767083 495940392 /nfs/dbraw/zinc/94/03/92/495940392.db2.gz BEWAWYMVBKIVBD-STQMWFEESA-N -1 3 371.803 3.079 20 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/nfs/dbraw/zinc/81/54/97/505815497.db2.gz WQKAEULVYHYWII-INIZCTEOSA-N -1 3 364.384 3.341 20 0 FGADHM O=C(c1cc(F)cc2nn[n-]c21)N1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000574615106 505815502 /nfs/dbraw/zinc/81/55/02/505815502.db2.gz WQKAEULVYHYWII-INIZCTEOSA-N -1 3 364.384 3.341 20 0 FGADHM O=C(c1cc(F)cc2n[n-]nc21)N1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000574615106 505815505 /nfs/dbraw/zinc/81/55/05/505815505.db2.gz WQKAEULVYHYWII-INIZCTEOSA-N -1 3 364.384 3.341 20 0 FGADHM COCCOc1ccc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)cc1 ZINC000155498663 495975209 /nfs/dbraw/zinc/97/52/09/495975209.db2.gz ZCGXQOHQDZLWCX-UHFFFAOYSA-N -1 3 370.380 3.253 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-]CCOc1cccc2ccccc21 ZINC000155510616 495978874 /nfs/dbraw/zinc/97/88/74/495978874.db2.gz CRWBYULLOKMNLX-UHFFFAOYSA-N -1 3 363.460 3.267 20 0 FGADHM CC(=O)[C@H](C)CCCCC(=O)Nc1cc(C)ccc1[N-]S(C)(=O)=O ZINC000152002036 496018304 /nfs/dbraw/zinc/01/83/04/496018304.db2.gz NJBDGFZJGDQVLL-CYBMUJFWSA-N -1 3 354.472 3.091 20 0 FGADHM COCCOc1cc(C(=O)[N-]c2nnc(C3CC3)s2)nc2ccccc21 ZINC000155636948 496020634 /nfs/dbraw/zinc/02/06/34/496020634.db2.gz FFOPQRMYVOSUQO-UHFFFAOYSA-N -1 3 370.434 3.241 20 0 FGADHM C[C@@H]1C[C@H](C(=O)N2CCN(C(=O)c3cccc([O-])c3)CC2)CC(C)(C)C1 ZINC000183583591 496037581 /nfs/dbraw/zinc/03/75/81/496037581.db2.gz LOCPETQFTUFNCO-WBVHZDCISA-N -1 3 358.482 3.139 20 0 FGADHM C[C@@H]1CCC[C@@H](NC(=O)Cc2csc(NC(=O)c3cccc([O-])c3)n2)C1 ZINC000177395906 496045500 /nfs/dbraw/zinc/04/55/00/496045500.db2.gz FQAQNNRRNUSBFQ-TZMCWYRMSA-N -1 3 373.478 3.338 20 0 FGADHM CC1(CNC(=O)Cc2csc(NC(=O)c3cccc([O-])c3)n2)CCCC1 ZINC000177407684 496050739 /nfs/dbraw/zinc/05/07/39/496050739.db2.gz BPWNARZJINPWBC-UHFFFAOYSA-N -1 3 373.478 3.340 20 0 FGADHM CC(C)(C)[S@](=O)Cc1cccc(NC(=O)c2cccc3nn[n-]c32)c1 ZINC000183630517 496054748 /nfs/dbraw/zinc/05/47/48/496054748.db2.gz VMEJVCRTULETTI-RUZDIDTESA-N -1 3 356.451 3.257 20 0 FGADHM CC(C)(C)[S@](=O)Cc1cccc(NC(=O)c2cccc3[n-]nnc32)c1 ZINC000183630517 496054749 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/nfs/dbraw/zinc/52/66/92/496526692.db2.gz KQNINXLDHULBMD-SNVBAGLBSA-N -1 3 372.226 3.371 20 0 FGADHM C[C@@H](C(=O)Nc1n[n-]c(-c2ccccn2)n1)c1ccc(Br)cc1 ZINC000163514067 496526699 /nfs/dbraw/zinc/52/66/99/496526699.db2.gz KQNINXLDHULBMD-SNVBAGLBSA-N -1 3 372.226 3.371 20 0 FGADHM CCOC(=O)c1cc(NC(=O)[C@H](CC)Oc2ccccc2Cl)n[n-]1 ZINC000181750132 496528558 /nfs/dbraw/zinc/52/85/58/496528558.db2.gz XLWBCVDSXZBVCW-LBPRGKRZSA-N -1 3 351.790 3.036 20 0 FGADHM CCOC(=O)c1cc(NC(=O)[C@H](CC)Oc2ccccc2Cl)[n-]n1 ZINC000181750132 496528563 /nfs/dbraw/zinc/52/85/63/496528563.db2.gz XLWBCVDSXZBVCW-LBPRGKRZSA-N -1 3 351.790 3.036 20 0 FGADHM COC[C@H]([N-]S(=O)(=O)c1ccccc1SC)c1ccc(F)c(F)c1 ZINC000187718480 496544577 /nfs/dbraw/zinc/54/45/77/496544577.db2.gz SQJNMIJUIYXKLX-AWEZNQCLSA-N -1 3 373.446 3.353 20 0 FGADHM CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ncccc1[O-] ZINC000153687669 496545206 /nfs/dbraw/zinc/54/52/06/496545206.db2.gz GUGAITSYXURPDJ-UHFFFAOYSA-N -1 3 367.371 3.010 20 0 FGADHM CCCN(C(=O)c1ncccc1[O-])[C@H]1CCCN(Cc2ccccc2)C1 ZINC000153716815 496554620 /nfs/dbraw/zinc/55/46/20/496554620.db2.gz JBOUQIMRSUTQFQ-SFHVURJKSA-N -1 3 353.466 3.304 20 0 FGADHM C[C@H]1CCCN1C(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000173116173 496555897 /nfs/dbraw/zinc/55/58/97/496555897.db2.gz QUEHIXJIHDPWIM-NSHDSACASA-N -1 3 358.891 3.041 20 0 FGADHM CC[C@@H]([N-]S(=O)(=O)Cc1c(Cl)cccc1Cl)[C@H]1CCCO1 ZINC000157813520 496561660 /nfs/dbraw/zinc/56/16/60/496561660.db2.gz UQZYIJYLMOATOE-ZIAGYGMSSA-N -1 3 352.283 3.370 20 0 FGADHM CN(Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[n-]1)C[C@@H]1CCOC1 ZINC000178777248 496568005 /nfs/dbraw/zinc/56/80/05/496568005.db2.gz OQBOUCHFCKVUMG-LBPRGKRZSA-N -1 3 373.453 3.259 20 0 FGADHM O=C(NCCCNc1nnc(Cc2ccccc2)s1)c1cccc([O-])c1 ZINC000181874127 496580568 /nfs/dbraw/zinc/58/05/68/496580568.db2.gz WIQHJTZQBONBIB-UHFFFAOYSA-N -1 3 368.462 3.067 20 0 FGADHM CC[C@H]1CN(C(=O)c2cccc(OC)c2[O-])CCN1Cc1ccccc1 ZINC000184921564 496584807 /nfs/dbraw/zinc/58/48/07/496584807.db2.gz ZMNGIRLAHDXBPH-KRWDZBQOSA-N -1 3 354.450 3.137 20 0 FGADHM COc1ccc2[nH]c(C(=O)Nc3cc(C)ccc3[N-]S(C)(=O)=O)cc2c1 ZINC000187833009 496587786 /nfs/dbraw/zinc/58/77/86/496587786.db2.gz GJYRVLXTRJEHJE-UHFFFAOYSA-N -1 3 373.434 3.109 20 0 FGADHM Cc1ccc2c(c1)[C@H](NC(=O)c1c[n-]c3c(C)cc(F)cc3c1=O)CO2 ZINC000164221970 496595728 /nfs/dbraw/zinc/59/57/28/496595728.db2.gz MFQNWMZHTCAZMN-MRXNPFEDSA-N -1 3 352.365 3.148 20 0 FGADHM O=S(=O)([N-]CC1(CO)CCCC1)c1ccc(Cl)cc1C(F)(F)F ZINC000178880864 496603846 /nfs/dbraw/zinc/60/38/46/496603846.db2.gz IHWRHTOMBZNVHC-UHFFFAOYSA-N -1 3 371.808 3.190 20 0 FGADHM CCN(CCc1nccs1)C(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000153863445 496605524 /nfs/dbraw/zinc/60/55/24/496605524.db2.gz JRUSBSBWBAOEQH-UHFFFAOYSA-N -1 3 359.426 3.137 20 0 FGADHM O=C(N[C@H]1CCC[C@@H]1CCO)c1cc(OCc2ccccc2)ccc1[O-] ZINC000187893937 496610263 /nfs/dbraw/zinc/61/02/63/496610263.db2.gz APKVHPUMMCAFSK-APWZRJJASA-N -1 3 355.434 3.252 20 0 FGADHM Cc1cccc(F)c1S(=O)(=O)[N-]CCc1nc(C(F)(F)F)cs1 ZINC000184991389 496614320 /nfs/dbraw/zinc/61/43/20/496614320.db2.gz WYBVGBMAKKFJMM-UHFFFAOYSA-N -1 3 368.377 3.130 20 0 FGADHM Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000153894378 496615600 /nfs/dbraw/zinc/61/56/00/496615600.db2.gz UZMXQMQBLAAFDB-CQSZACIVSA-N -1 3 368.481 3.255 20 0 FGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc2[nH]c(C(C)(C)C)nc2c1 ZINC000175957141 496617343 /nfs/dbraw/zinc/61/73/43/496617343.db2.gz MMPRAKGKACXCEA-UHFFFAOYSA-N -1 3 371.466 3.226 20 0 FGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc2nc(C(C)(C)C)[nH]c2c1 ZINC000175957141 496617345 /nfs/dbraw/zinc/61/73/45/496617345.db2.gz MMPRAKGKACXCEA-UHFFFAOYSA-N -1 3 371.466 3.226 20 0 FGADHM O=c1nc(CN2CC[C@]3(CCOC3)C2)[n-]c2sc(-c3ccccc3)cc21 ZINC000153918058 496623141 /nfs/dbraw/zinc/62/31/41/496623141.db2.gz SMRZMZSLHZHEGO-FQEVSTJZSA-N -1 3 367.474 3.264 20 0 FGADHM C[C@]1(c2cccc(NC(=O)C[C@H]3CCCCC3(C)C)c2)NC(=O)[N-]C1=O ZINC000158089835 496625127 /nfs/dbraw/zinc/62/51/27/496625127.db2.gz WTSNLSDIRUFSON-ZUOKHONESA-N -1 3 357.454 3.286 20 0 FGADHM COC(=O)[C@H]1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C[C@H]1C ZINC000187944177 496627179 /nfs/dbraw/zinc/62/71/79/496627179.db2.gz KWMVKKKBXCXARQ-QAPCUYQASA-N -1 3 367.445 3.254 20 0 FGADHM O=S(=O)([N-]c1cccc(CN2CCSCC2)c1)c1ccc(F)cc1 ZINC000153953908 496635065 /nfs/dbraw/zinc/63/50/65/496635065.db2.gz QEAPYXHDZLYRNO-UHFFFAOYSA-N -1 3 366.483 3.175 20 0 FGADHM COc1cc([N-]S(=O)(=O)CCC2Cc3ccccc3C2)cc(OC)c1 ZINC000578076421 505856210 /nfs/dbraw/zinc/85/62/10/505856210.db2.gz YIEYISYGBDJRAT-UHFFFAOYSA-N -1 3 361.463 3.251 20 0 FGADHM O=C(CCSc1ccc(Br)cc1)[N-]OC[C@@H]1CCOC1 ZINC000187988857 496642225 /nfs/dbraw/zinc/64/22/25/496642225.db2.gz LYUXBJMAYZCDQQ-LLVKDONJSA-N -1 3 360.273 3.016 20 0 FGADHM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccnc(C)c2Cl)cc1 ZINC000165282085 496654733 /nfs/dbraw/zinc/65/47/33/496654733.db2.gz QQQMXNMYZHDXOF-UHFFFAOYSA-N -1 3 354.815 3.021 20 0 FGADHM CC(C)Cc1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C(N)=O)cc2)cc1 ZINC000158226562 496654775 /nfs/dbraw/zinc/65/47/75/496654775.db2.gz PHVRYAAXJILYHZ-UHFFFAOYSA-N -1 3 374.506 3.449 20 0 FGADHM CC(C)n1cnc(S(=O)(=O)[N-][C@H](C)c2cccc(N3CCCC3)c2)c1 ZINC000154040387 496664439 /nfs/dbraw/zinc/66/44/39/496664439.db2.gz WEOKDPPRHBRGJL-OAHLLOKOSA-N -1 3 362.499 3.104 20 0 FGADHM CSCCC[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000154081429 496678770 /nfs/dbraw/zinc/67/87/70/496678770.db2.gz PAEZITHBKPQEOP-UHFFFAOYSA-N -1 3 358.710 3.134 20 0 FGADHM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)CN1C1CC1 ZINC000188094981 496681149 /nfs/dbraw/zinc/68/11/49/496681149.db2.gz LXLSVTJFTCZQRP-DTWKUNHWSA-N -1 3 367.273 3.036 20 0 FGADHM O=C(/C=C/c1cncc([O-])c1)N1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000182140014 496685216 /nfs/dbraw/zinc/68/52/16/496685216.db2.gz YWPDHCGPVAQSRT-GOVHYVLJSA-N -1 3 356.397 3.054 20 0 FGADHM CC(C)COC[C@@H](NC(=O)NCc1ccc([O-])c(F)c1)c1ccco1 ZINC000158400699 496693891 /nfs/dbraw/zinc/69/38/91/496693891.db2.gz STTHVQRHRHIVBD-OAHLLOKOSA-N -1 3 350.390 3.337 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)C(C)(C)c3ccc(F)cc3)[n-]c21 ZINC000158421660 496697550 /nfs/dbraw/zinc/69/75/50/496697550.db2.gz KAHLTANPUAEQAH-UHFFFAOYSA-N -1 3 355.369 3.405 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)C(C)(C)c3ccc(F)cc3)nc21 ZINC000158421660 496697552 /nfs/dbraw/zinc/69/75/52/496697552.db2.gz KAHLTANPUAEQAH-UHFFFAOYSA-N -1 3 355.369 3.405 20 0 FGADHM COc1ccccc1[C@H](C[N-]S(=O)(=O)c1cccs1)OC(C)C ZINC000185189077 496697885 /nfs/dbraw/zinc/69/78/85/496697885.db2.gz XGTMJOKILCTRHL-HNNXBMFYSA-N -1 3 355.481 3.201 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)C[C@H]3CCOc4ccccc43)[n-]c21 ZINC000158423605 496698715 /nfs/dbraw/zinc/69/87/15/496698715.db2.gz RKVCDNOYBNZAPM-GFCCVEGCSA-N -1 3 365.389 3.244 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)C[C@H]3CCOc4ccccc43)nc21 ZINC000158423605 496698722 /nfs/dbraw/zinc/69/87/22/496698722.db2.gz RKVCDNOYBNZAPM-GFCCVEGCSA-N -1 3 365.389 3.244 20 0 FGADHM O=S(=O)([N-][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1ccc(F)cc1Cl ZINC000167313019 496699566 /nfs/dbraw/zinc/69/95/66/496699566.db2.gz IKEIOAYLTINFON-GLQYFDAESA-N -1 3 359.850 3.105 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)[C@@H]3C[C@H]3c3cccc(OC)c3)[n-]c21 ZINC000158450192 496705333 /nfs/dbraw/zinc/70/53/33/496705333.db2.gz CUNWWUIKJRNYMC-LSDHHAIUSA-N -1 3 365.389 3.100 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@@H]3C[C@H]3c3cccc(OC)c3)nc21 ZINC000158450192 496705337 /nfs/dbraw/zinc/70/53/37/496705337.db2.gz CUNWWUIKJRNYMC-LSDHHAIUSA-N -1 3 365.389 3.100 20 0 FGADHM CC(C)n1cnc(S(=O)(=O)[N-][C@@H](C)c2ccc(Br)cc2)c1 ZINC000179191367 496705984 /nfs/dbraw/zinc/70/59/84/496705984.db2.gz ZWFJPXZJXKMJSF-NSHDSACASA-N -1 3 372.288 3.266 20 0 FGADHM CCc1nc([C@@H](C)[N-]S(=O)(=O)c2ccc(OC)cc2Cl)cs1 ZINC000580885288 505860964 /nfs/dbraw/zinc/86/09/64/505860964.db2.gz DODJLKVSIFGFQP-SECBINFHSA-N -1 3 360.888 3.407 20 0 FGADHM CCN(Cc1cccs1)C(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000179259872 496722135 /nfs/dbraw/zinc/72/21/35/496722135.db2.gz IHGVSLDDZKGIBD-INIZCTEOSA-N -1 3 358.463 3.107 20 0 FGADHM CSc1ccc(CCCC(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000580896133 505863595 /nfs/dbraw/zinc/86/35/95/505863595.db2.gz RWQGNKKVBKJCOA-UHFFFAOYSA-N -1 3 367.478 3.228 20 0 FGADHM CSc1ccc(CCCC(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000580896133 505863597 /nfs/dbraw/zinc/86/35/97/505863597.db2.gz RWQGNKKVBKJCOA-UHFFFAOYSA-N -1 3 367.478 3.228 20 0 FGADHM COc1cccc(Cc2nnc([N-]C(=O)c3cn4ccnc4s3)s2)c1 ZINC000188322056 496752573 /nfs/dbraw/zinc/75/25/73/496752573.db2.gz GLKKNEBWPWZATE-UHFFFAOYSA-N -1 3 371.447 3.099 20 0 FGADHM CSc1ccc(CN[C@@H](CC(=O)OCc2ccccc2)C(=O)[O-])cc1 ZINC000277420311 496767913 /nfs/dbraw/zinc/76/79/13/496767913.db2.gz SXRJPPCIURXIAI-KRWDZBQOSA-N -1 3 359.447 3.085 20 0 FGADHM C[C@H](CON=C([O-])Nc1ccc2ncsc2c1)NC(=O)OC(C)(C)C ZINC000273306585 496769207 /nfs/dbraw/zinc/76/92/07/496769207.db2.gz GWAHMGDEOXIXCH-SNVBAGLBSA-N -1 3 366.443 3.263 20 0 FGADHM 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497226964 /nfs/dbraw/zinc/22/69/64/497226964.db2.gz WXGXLUSUVHNNJV-UHFFFAOYSA-N -1 3 360.863 3.433 20 0 FGADHM COc1cc(C(=O)N2C[C@@H](C)OC[C@H]2c2ccccc2)cc(OC)c1[O-] ZINC000270920899 497226969 /nfs/dbraw/zinc/22/69/69/497226969.db2.gz RTPPNWANHIIFPY-CJNGLKHVSA-N -1 3 357.406 3.012 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N3CCCC[C@@H]3c3ncon3)c[n-]c12 ZINC000270948308 497231847 /nfs/dbraw/zinc/23/18/47/497231847.db2.gz WUUUMZMVGBPKRL-CQSZACIVSA-N -1 3 356.357 3.138 20 0 FGADHM CC(C)c1cc(C(=O)[N-]c2cc(-n3nnnc3C3CC3)ccc2F)on1 ZINC000266012535 497232507 /nfs/dbraw/zinc/23/25/07/497232507.db2.gz JNRUHJQGWZUFRW-UHFFFAOYSA-N -1 3 356.361 3.043 20 0 FGADHM Cc1ccc(C(=O)N2CCC(Oc3cncc(Cl)n3)CC2)c([O-])c1C ZINC000275177271 497250174 /nfs/dbraw/zinc/25/01/74/497250174.db2.gz ZLKKESDYJUVYNJ-UHFFFAOYSA-N -1 3 361.829 3.136 20 0 FGADHM COC(=O)c1ccc(OC(C)C)c(NC([O-])=NOCCC(F)(F)F)c1 ZINC000275184434 497250676 /nfs/dbraw/zinc/25/06/76/497250676.db2.gz IARGMPSYPDQGED-UHFFFAOYSA-N -1 3 364.320 3.266 20 0 FGADHM COC(=O)c1ccc(OC(C)C)c(NC(=O)[N-]OCCC(F)(F)F)c1 ZINC000275184434 497250680 /nfs/dbraw/zinc/25/06/80/497250680.db2.gz IARGMPSYPDQGED-UHFFFAOYSA-N -1 3 364.320 3.266 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F)c1ccc(C2CC2)cc1 ZINC000574974292 505895351 /nfs/dbraw/zinc/89/53/51/505895351.db2.gz PZVNJECFBWAAHC-SNVBAGLBSA-N -1 3 373.400 3.356 20 0 FGADHM CCN(C[C@@H](O)C(F)(F)F)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000189863416 497271744 /nfs/dbraw/zinc/27/17/44/497271744.db2.gz XLFXCBLCBGJJPS-QGZVFWFLSA-N -1 3 367.367 3.368 20 0 FGADHM CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)Cc1ccc(C(=O)[O-])cn1 ZINC000572127740 505896012 /nfs/dbraw/zinc/89/60/12/505896012.db2.gz QSKMEPQJNIFDNQ-UHFFFAOYSA-N -1 3 368.412 3.374 20 0 FGADHM C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000189924748 497294441 /nfs/dbraw/zinc/29/44/41/497294441.db2.gz YOIDNHQMBZWZDZ-SJCJKPOMSA-N -1 3 362.832 3.435 20 0 FGADHM C[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CCO1 ZINC000271316776 497319084 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CC(C)(C)OC(=O)NC[C@H]1CCN(C(=O)c2cc([O-])ccc2Cl)C1 ZINC000279379321 497422782 /nfs/dbraw/zinc/42/27/82/497422782.db2.gz HTRQKKBAZXCTQH-LLVKDONJSA-N -1 3 354.834 3.032 20 0 FGADHM CCn1ccnc1[C@H](C)NC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000578295532 505907570 /nfs/dbraw/zinc/90/75/70/505907570.db2.gz NQXYVMJBIGFFON-LBPRGKRZSA-N -1 3 366.425 3.257 20 0 FGADHM CCc1nc(C)c(C[N-]S(=O)(=O)c2cc3c(c(Cl)c2)O[C@@H](C)C3)o1 ZINC000578297169 505907832 /nfs/dbraw/zinc/90/78/32/505907832.db2.gz IRYVFAHZEFMJBU-VIFPVBQESA-N -1 3 370.858 3.001 20 0 FGADHM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]C1CCCCC1 ZINC000190427144 497476209 /nfs/dbraw/zinc/47/62/09/497476209.db2.gz HZFWSWRWVFXAEK-GFCCVEGCSA-N -1 3 361.891 3.365 20 0 FGADHM O=C(Nc1ccccc1[O-])C1CCN(C(=O)NCCc2ccsc2)CC1 ZINC000193790801 497483055 /nfs/dbraw/zinc/48/30/55/497483055.db2.gz JBYUWJSFVIKQOF-UHFFFAOYSA-N -1 3 373.478 3.057 20 0 FGADHM Cc1cc(-c2noc([C@@H](C)N3C[C@@H]4CCC[C@@]4(C(=O)[O-])C3)n2)ccc1F ZINC000262052983 497499943 /nfs/dbraw/zinc/49/99/43/497499943.db2.gz ANUOKPMPRYRKFV-SPKLELGKSA-N -1 3 359.401 3.432 20 0 FGADHM Cc1ccc(Cl)cc1NC(=O)[C@@H](C)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000262136415 497514788 /nfs/dbraw/zinc/51/47/88/497514788.db2.gz LMDYIUVRNCKGLI-FHSNZYRGSA-N -1 3 350.846 3.162 20 0 FGADHM CCc1ccc([C@@H](CNC(=O)c2cc(F)c(F)c([O-])c2F)N(C)C)cc1 ZINC000193913561 497518025 /nfs/dbraw/zinc/51/80/25/497518025.db2.gz VMCXELQKECDBSL-OAHLLOKOSA-N -1 3 366.383 3.405 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)c1 ZINC000272097148 497534553 /nfs/dbraw/zinc/53/45/53/497534553.db2.gz KTGVRLKASVHVFB-AEFFLSMTSA-N -1 3 374.824 3.264 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCO[C@H]2c2ccccc2)c(Cl)n1 ZINC000193997228 497542726 /nfs/dbraw/zinc/54/27/26/497542726.db2.gz HMCJYZSXJZGFPL-HOCLYGCPSA-N -1 3 366.870 3.100 20 0 FGADHM C[C@@H]1CN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C[C@]2(CCOC2)O1 ZINC000279901483 497581872 /nfs/dbraw/zinc/58/18/72/497581872.db2.gz AVOTXJRCAQVTCY-VFNWGFHPSA-N -1 3 369.417 3.205 20 0 FGADHM Cc1sc(NC[C@H](c2ccc(OC(C)C)cc2)N(C)C)nc1C(=O)[O-] ZINC000581134694 505917171 /nfs/dbraw/zinc/91/71/71/505917171.db2.gz XHIFNZIJJWPVQB-OAHLLOKOSA-N -1 3 363.483 3.074 20 0 FGADHM O=S(=O)([N-][C@@H]1CCC[C@H]2OCC[C@H]21)c1cccc(Cl)c1Cl ZINC000246049028 497603977 /nfs/dbraw/zinc/60/39/77/497603977.db2.gz UAIYJMJMBRPSFP-MVWJERBFSA-N -1 3 350.267 3.229 20 0 FGADHM Cc1cccc(C(=O)Nc2ccc(C(=O)N3CCOCC3)c(Cl)c2)c1[O-] ZINC000194258983 497617395 /nfs/dbraw/zinc/61/73/95/497617395.db2.gz JNRGRJVBANLHDK-UHFFFAOYSA-N -1 3 374.824 3.079 20 0 FGADHM COc1cc(CN[C@H]2CCCc3nn(C)cc32)cc(Br)c1[O-] ZINC000280016542 497620768 /nfs/dbraw/zinc/62/07/68/497620768.db2.gz HAHZJMACOULOOS-ZDUSSCGKSA-N -1 3 366.259 3.064 20 0 FGADHM Cc1nc(C)c(CCC(=O)N[C@H]2CC[C@@H](c3ccc(F)cc3)C2)c(=O)[n-]1 ZINC000280019909 497621994 /nfs/dbraw/zinc/62/19/94/497621994.db2.gz QRNRPIWLHXCXOG-WBVHZDCISA-N -1 3 357.429 3.323 20 0 FGADHM COCC[C@H]([N-]S(=O)(=O)Cc1cccc2cccnc21)c1ccco1 ZINC000272423485 497624637 /nfs/dbraw/zinc/62/46/37/497624637.db2.gz NTFOSQWEPAQKEI-INIZCTEOSA-N -1 3 360.435 3.025 20 0 FGADHM O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1cc([O-])ccc1C(F)(F)F ZINC000276684481 497627939 /nfs/dbraw/zinc/62/79/39/497627939.db2.gz WNIFILNGXUIVHG-CQSZACIVSA-N -1 3 364.367 3.415 20 0 FGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)/C=C2/CC[C@@H](C)C2)cc1OC ZINC000267847290 497629640 /nfs/dbraw/zinc/62/96/40/497629640.db2.gz KJYLRPMIUVLXIL-YGYTWAPGSA-N -1 3 352.456 3.142 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)c3ccc(C)c(C(C)=O)c3)[n-]c21 ZINC000194381486 497649472 /nfs/dbraw/zinc/64/94/72/497649472.db2.gz XEJMBQOAMYANRI-UHFFFAOYSA-N -1 3 351.362 3.113 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccc(C)c(C(C)=O)c3)nc21 ZINC000194381486 497649478 /nfs/dbraw/zinc/64/94/78/497649478.db2.gz XEJMBQOAMYANRI-UHFFFAOYSA-N -1 3 351.362 3.113 20 0 FGADHM COc1cc(C(=O)N[C@H](C)c2cccc(N3CCCC3=O)c2)ccc1[O-] ZINC000272640637 497687230 /nfs/dbraw/zinc/68/72/30/497687230.db2.gz XQVCCMZRJBCVDT-CYBMUJFWSA-N -1 3 354.406 3.019 20 0 FGADHM CC(C)C[C@@H](CNC(=O)NCC(C)(C)N[C@H](C)c1ccccc1)C(=O)[O-] ZINC000263102916 497706330 /nfs/dbraw/zinc/70/63/30/497706330.db2.gz XDWSGMUUKFUNRJ-WBVHZDCISA-N -1 3 363.502 3.162 20 0 FGADHM CC[C@H](NC(=O)c1cccc([O-])c1)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000272721910 497712097 /nfs/dbraw/zinc/71/20/97/497712097.db2.gz HJXIEUQRBQOFCN-RBUKOAKNSA-N -1 3 350.422 3.090 20 0 FGADHM O=C(NCc1ccc(Oc2cccc(F)c2)nc1)c1ccc(O)cc1[O-] ZINC000194651142 497729894 /nfs/dbraw/zinc/72/98/94/497729894.db2.gz RBTCSHUCLMXGSM-UHFFFAOYSA-N -1 3 354.337 3.354 20 0 FGADHM COc1ccc(C[NH2+]C[C@H](CC(=O)[O-])CC(C)C)c(Br)c1[O-] ZINC000277080430 497736867 /nfs/dbraw/zinc/73/68/67/497736867.db2.gz WMHZWYHQNCNFCF-NSHDSACASA-N -1 3 374.275 3.390 20 0 FGADHM CC(C)c1occc1C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000280391952 497739515 /nfs/dbraw/zinc/73/95/15/497739515.db2.gz QMOULSNTIZIPOX-UHFFFAOYSA-N -1 3 366.414 3.235 20 0 FGADHM c1ccc2oc(SCc3nc(-c4ccc5n[n-]nc5c4)no3)nc2c1 ZINC000569412606 505928369 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COCc1nc(SCC(=O)N[C@H](c2ccccc2)C2CCCC2)n[n-]1 ZINC000268499511 497766968 /nfs/dbraw/zinc/76/69/68/497766968.db2.gz ROTMYDYGBYURAO-QGZVFWFLSA-N -1 3 360.483 3.091 20 0 FGADHM C[C@@H]1CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])CC[S@]1=O ZINC000277202462 497774083 /nfs/dbraw/zinc/77/40/83/497774083.db2.gz COQWQUBVMNYAOQ-DLUDVSRJSA-N -1 3 359.447 3.168 20 0 FGADHM COc1cc(Br)c(CNC[C@@H](CC(C)C)C(=O)[O-])c(OC)c1 ZINC000263472946 497788289 /nfs/dbraw/zinc/78/82/89/497788289.db2.gz IHUKYLGJGCVDLE-LLVKDONJSA-N -1 3 374.275 3.303 20 0 FGADHM CCCCOc1ccc(CN[C@H](CC(=O)OC(C)(C)C)C(=O)[O-])cc1 ZINC000277263029 497790600 /nfs/dbraw/zinc/79/06/00/497790600.db2.gz KWPWCADLSUAONM-MRXNPFEDSA-N -1 3 351.443 3.140 20 0 FGADHM O=C([O-])[C@H](Cc1cccc(Cl)c1)NCc1cccc2c1OCCCO2 ZINC000277270300 497791612 /nfs/dbraw/zinc/79/16/12/497791612.db2.gz LJMUYABMHNYQOW-INIZCTEOSA-N -1 3 361.825 3.287 20 0 FGADHM O=C(c1ccc(O)cc1[O-])N1CCC[C@@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000273057973 497792365 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FGADHM Cc1cccnc1OC1CCN(Cc2nc3ccsc3c(=O)[n-]2)CC1 ZINC000298497595 498792493 /nfs/dbraw/zinc/79/24/93/498792493.db2.gz JYGQLZCSBFUGLT-UHFFFAOYSA-N -1 3 356.451 3.144 20 0 FGADHM C[C@@H](NC(C)(C)CNC(=O)c1s[n-]c(=O)c1Cl)c1ccccc1 ZINC000283166828 498803847 /nfs/dbraw/zinc/80/38/47/498803847.db2.gz UIUXNTNXICORMM-SNVBAGLBSA-N -1 3 353.875 3.361 20 0 FGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H]1c2ccc(F)cc2O[C@H]1C ZINC000366173481 498807750 /nfs/dbraw/zinc/80/77/50/498807750.db2.gz UKNOSBOTFGRTLP-ZUZCIYMTSA-N -1 3 359.401 3.179 20 0 FGADHM Cc1cc(C)c2[n-]cc(C(=O)N3CCCC[C@@H]3c3cc[nH]n3)c(=O)c2c1 ZINC000332833009 498807836 /nfs/dbraw/zinc/80/78/36/498807836.db2.gz UVHQGJLLXPCXHP-QGZVFWFLSA-N -1 3 350.422 3.235 20 0 FGADHM Cc1cc(C)c2[n-]cc(C(=O)N3CCCC[C@H]3c3cc[nH]n3)c(=O)c2c1 ZINC000332832989 498808335 /nfs/dbraw/zinc/80/83/35/498808335.db2.gz UVHQGJLLXPCXHP-KRWDZBQOSA-N -1 3 350.422 3.235 20 0 FGADHM Cc1cccc2c(=O)c(C(=O)N3CC4(CCC4)[C@@H]3[C@@H]3CCCO3)c[n-]c12 ZINC000332888823 498825705 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CO[C@H]1Cc2ccccc2N(C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)C1 ZINC000333096294 498898759 /nfs/dbraw/zinc/89/87/59/498898759.db2.gz UHSGLGKYKYTKCM-HNNXBMFYSA-N -1 3 353.418 3.324 20 0 FGADHM COC[C@@H]([N-]S(=O)(=O)C[C@@H]1CCCC1(F)F)c1ccc(F)c(F)c1 ZINC000295076555 498900763 /nfs/dbraw/zinc/90/07/63/498900763.db2.gz CZUIWXNNGZWHJT-SMDDNHRTSA-N -1 3 369.380 3.007 20 0 FGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2ccc(C)cc2C)cc1OC ZINC000298951188 498924312 /nfs/dbraw/zinc/92/43/12/498924312.db2.gz KSDMIFDZNYXVOH-UHFFFAOYSA-N -1 3 362.451 3.326 20 0 FGADHM COCC[C@H]([N-]S(=O)(=O)C[C@H]1CCCCC1(F)F)c1ccco1 ZINC000295197693 498939720 /nfs/dbraw/zinc/93/97/20/498939720.db2.gz SBCVNFFQSZSQSY-OLZOCXBDSA-N -1 3 351.415 3.102 20 0 FGADHM COc1ccc(CN[C@H]2C[C@H](C)n3ccnc32)c(Br)c1[O-] ZINC000579194705 506115050 /nfs/dbraw/zinc/11/50/50/506115050.db2.gz LAVRLHYPTXUJSW-ONGXEEELSA-N -1 3 352.232 3.155 20 0 FGADHM Cc1ccc(C(=O)N2CCCN(C(=O)c3ccsc3)CC2)c([O-])c1C ZINC000299034408 498947371 /nfs/dbraw/zinc/94/73/71/498947371.db2.gz XGKZHWHLXYLOGE-UHFFFAOYSA-N -1 3 358.463 3.059 20 0 FGADHM O=C([O-])c1cnc2ccccc2c1N1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000573094273 506117482 /nfs/dbraw/zinc/11/74/82/506117482.db2.gz UYAIANCZMFIUDX-MEBBXXQBSA-N -1 3 354.328 3.073 20 0 FGADHM C[C@@H]1N(CCOc2ccc(C(=O)[O-])cc2Cl)CCC12CCOCC2 ZINC000570219132 506117556 /nfs/dbraw/zinc/11/75/56/506117556.db2.gz HHRSMCJTSRVFRK-ZDUSSCGKSA-N -1 3 353.846 3.308 20 0 FGADHM COc1cccc2c1n[n-]c2C(=O)Nc1ccc(C(=O)NC(C)C)c(C)c1 ZINC000291482835 498958567 /nfs/dbraw/zinc/95/85/67/498958567.db2.gz KSATWHSJZWVTDD-UHFFFAOYSA-N -1 3 366.421 3.270 20 0 FGADHM COc1cccc2c(C(=O)Nc3ccc(C(=O)NC(C)C)c(C)c3)n[n-]c21 ZINC000291482835 498958571 /nfs/dbraw/zinc/95/85/71/498958571.db2.gz KSATWHSJZWVTDD-UHFFFAOYSA-N -1 3 366.421 3.270 20 0 FGADHM CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3CN2C(=O)CCc1ccc2ccccc2c1[O-] ZINC000295266824 498961537 /nfs/dbraw/zinc/96/15/37/498961537.db2.gz LPPNMMDEMFPKPG-KSLTUTBPSA-N -1 3 351.446 3.360 20 0 FGADHM C[C@@H]1CCN(C(=O)c2c(Br)cnn2C)c2c([O-])cccc21 ZINC000295304525 498973068 /nfs/dbraw/zinc/97/30/68/498973068.db2.gz KGRFCPXYBIFIOI-SECBINFHSA-N -1 3 350.216 3.042 20 0 FGADHM O=C1CC[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)[C@@H](C2CC2)N1 ZINC000328889334 498975636 /nfs/dbraw/zinc/97/56/36/498975636.db2.gz QTRRYRSQERVYKE-BXUZGUMPSA-N -1 3 363.266 3.169 20 0 FGADHM CC(C)c1nnc(C[N-]C(=O)C(F)(F)c2ccccc2Br)[nH]1 ZINC000295336278 498985243 /nfs/dbraw/zinc/98/52/43/498985243.db2.gz FBOJHODFHFXTNE-UHFFFAOYSA-N -1 3 373.201 3.099 20 0 FGADHM CCC1(C(=O)NC2CCN(C(=O)c3cccc([O-])c3)CC2)CCCCC1 ZINC000363795629 498997607 /nfs/dbraw/zinc/99/76/07/498997607.db2.gz HBDQUZJHKSDNOQ-UHFFFAOYSA-N -1 3 358.482 3.474 20 0 FGADHM C[C@@H]1CN(C(=O)CCc2ccc3ccccc3c2[O-])C[C@]2(CCCOC2)O1 ZINC000333442893 499006019 /nfs/dbraw/zinc/00/60/19/499006019.db2.gz PZXJRCOVTNTAPM-ZHRRBRCNSA-N -1 3 369.461 3.275 20 0 FGADHM Cc1nc(C)c(CCC(=O)N2CC3(CCC3)[C@H]2c2ccccc2)c(=O)[n-]1 ZINC000295515966 499039972 /nfs/dbraw/zinc/03/99/72/499039972.db2.gz FTLWVTGDRARKON-LJQANCHMSA-N -1 3 351.450 3.485 20 0 FGADHM C[C@@H]1CN(Cc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)CCC1=O ZINC000299443640 499061148 /nfs/dbraw/zinc/06/11/48/499061148.db2.gz VZTOCJBRIQBHQQ-GFCCVEGCSA-N -1 3 353.447 3.475 20 0 FGADHM COCCCn1cc(C)c(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)n1 ZINC000295628408 499066687 /nfs/dbraw/zinc/06/66/87/499066687.db2.gz KIVWXGATQWICJM-UHFFFAOYSA-N -1 3 372.400 3.182 20 0 FGADHM Cc1occc1-c1nnc(SCc2noc(-c3ccccc3[O-])n2)n1C ZINC000364013182 499085766 /nfs/dbraw/zinc/08/57/66/499085766.db2.gz OYXFVFASCYETCJ-UHFFFAOYSA-N -1 3 369.406 3.431 20 0 FGADHM Cc1noc(C)c1COc1ccc(CC(=O)[N-]OC/C=C/Cl)cc1 ZINC000291892984 499094383 /nfs/dbraw/zinc/09/43/83/499094383.db2.gz RJJJEMNKMNOWMI-FPYGCLRLSA-N -1 3 350.802 3.213 20 0 FGADHM CCc1cc2c(CN3CCC(c4cn[nH]c4)CC3)cc(=O)oc2cc1[O-] ZINC000364068362 499106503 /nfs/dbraw/zinc/10/65/03/499106503.db2.gz BIFGSGFDFILUOW-UHFFFAOYSA-N -1 3 353.422 3.164 20 0 FGADHM CC(C)c1ccoc1C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000284437011 499107755 /nfs/dbraw/zinc/10/77/55/499107755.db2.gz UKJBPGWBWXODPV-UHFFFAOYSA-N -1 3 366.414 3.235 20 0 FGADHM O=C(c1cc([O-])ccc1C(F)(F)F)N1CCC[C@H](c2ccncn2)C1 ZINC000366909625 499113027 /nfs/dbraw/zinc/11/30/27/499113027.db2.gz QZIWHHVQWLPTBO-NSHDSACASA-N -1 3 351.328 3.221 20 0 FGADHM COc1cc(C(=O)Nc2c(-c3ccc(F)cc3)ncn2C)cc(OC)c1[O-] ZINC000369900958 499148495 /nfs/dbraw/zinc/14/84/95/499148495.db2.gz DJPUJEZLRLBIAP-UHFFFAOYSA-N -1 3 371.368 3.201 20 0 FGADHM CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2CN(C(=O)c3ccccc3[O-])C[C@@H]21 ZINC000369911715 499150770 /nfs/dbraw/zinc/15/07/70/499150770.db2.gz LYRVJNMHEKKQDW-CWRNSKLLSA-N -1 3 360.454 3.158 20 0 FGADHM CCc1ccc(C(=O)N2CCC[C@H](Cc3nnc4ccccn43)C2)c([O-])c1 ZINC000372734420 499167723 /nfs/dbraw/zinc/16/77/23/499167723.db2.gz CFEXFPJZJVFPOT-MRXNPFEDSA-N -1 3 364.449 3.092 20 0 FGADHM O=C(c1cc([O-])ccc1C(F)(F)F)N1CCC[C@H](N2CCCCC2=O)C1 ZINC000370029110 499168643 /nfs/dbraw/zinc/16/86/43/499168643.db2.gz FGFRRNMSDGMVLJ-LBPRGKRZSA-N -1 3 370.371 3.028 20 0 FGADHM Cc1cc([C@@H]2CN(C(=O)c3cc(=O)c4ccccc4[n-]3)CCO2)ccc1F ZINC000367278229 499172618 /nfs/dbraw/zinc/17/26/18/499172618.db2.gz UYRGSZRZQWEQLK-FQEVSTJZSA-N -1 3 366.392 3.189 20 0 FGADHM CCCCOc1ccc(C(=O)N2CCC[C@H](c3ccncn3)C2)c([O-])c1 ZINC000367292681 499174827 /nfs/dbraw/zinc/17/48/27/499174827.db2.gz UKSJZQFBPLUPHL-HNNXBMFYSA-N -1 3 355.438 3.381 20 0 FGADHM O=C(c1ccc(C(=O)N2CCC[C@@]23CCOC3)cc1)c1cccc([O-])c1 ZINC000367648520 499221331 /nfs/dbraw/zinc/22/13/31/499221331.db2.gz JOBHUNPIBJNWRY-NRFANRHFSA-N -1 3 351.402 3.018 20 0 FGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)[C@H]2CC[C@@H](c3ccccc3)O2)c1 ZINC000370681646 499243805 /nfs/dbraw/zinc/24/38/05/499243805.db2.gz BYKXQCFYTDEXLX-ZWKOTPCHSA-N -1 3 374.462 3.225 20 0 FGADHM O=C(NC1CCN(C(=O)c2cccc([O-])c2)CC1)c1cc2ccccc2o1 ZINC000370721418 499248174 /nfs/dbraw/zinc/24/81/74/499248174.db2.gz HMAMEDPIMVIAPX-UHFFFAOYSA-N -1 3 364.401 3.173 20 0 FGADHM O=C(NC1CCN(C(=O)c2cccc([O-])c2)CC1)c1coc2ccccc12 ZINC000370726568 499248626 /nfs/dbraw/zinc/24/86/26/499248626.db2.gz GALZBMKSCUDEHP-UHFFFAOYSA-N -1 3 364.401 3.173 20 0 FGADHM CC(=O)Nc1ccc(Cl)c(C(=O)N=c2[nH][n-]c(-c3ccncc3)c2C)c1 ZINC000370734037 499249604 /nfs/dbraw/zinc/24/96/04/499249604.db2.gz WKLRJRADDGDBLE-UHFFFAOYSA-N -1 3 369.812 3.066 20 0 FGADHM COc1ccc(C(=O)N2CCC([C@@H]3CCCCCN3C(C)=O)CC2)c([O-])c1 ZINC000370802843 499255857 /nfs/dbraw/zinc/25/58/57/499255857.db2.gz OXFREQGEWAEAGT-IBGZPJMESA-N -1 3 374.481 3.044 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(N(C)[C@@H](CCO)c3ccccc3)nc2)n1 ZINC000370834636 499260121 /nfs/dbraw/zinc/26/01/21/499260121.db2.gz FXYPBKFEGNCTKK-SFHVURJKSA-N -1 3 364.449 3.367 20 0 FGADHM O=S(=O)([N-][C@@H](c1ccccc1)c1ccccn1)c1cncc(Cl)c1 ZINC000371108618 499289200 /nfs/dbraw/zinc/28/92/00/499289200.db2.gz KBCUSHNKMDPMSE-KRWDZBQOSA-N -1 3 359.838 3.198 20 0 FGADHM Cc1ccc(-c2nc(C)c(C(=O)[N-]c3ncn(-c4ccccn4)n3)s2)o1 ZINC000371464245 499330319 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ZINC000426626423 500296726 /nfs/dbraw/zinc/29/67/26/500296726.db2.gz AAXDTUGFJOMFPM-WBVHZDCISA-N -1 3 369.461 3.442 20 0 FGADHM O=C([O-])[C@@H](CNCc1ccc(Br)s1)Oc1ccc(F)cc1 ZINC000426631355 500297643 /nfs/dbraw/zinc/29/76/43/500297643.db2.gz XXLDNBIUSLUXCF-GFCCVEGCSA-N -1 3 374.231 3.272 20 0 FGADHM CCN(C(=O)c1ncc(C)cc1[O-])[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000426640772 500299084 /nfs/dbraw/zinc/29/90/84/500299084.db2.gz VANXVMZKEKHOMV-AEFFLSMTSA-N -1 3 353.466 3.393 20 0 FGADHM O=C(CNC(=O)c1cccc([O-])c1)N(Cc1ccc2ccccc2c1)C1CC1 ZINC000426643650 500299764 /nfs/dbraw/zinc/29/97/64/500299764.db2.gz QZQGHXGOEPSCJG-UHFFFAOYSA-N -1 3 374.440 3.466 20 0 FGADHM O=C([O-])[C@@H](CNCc1cc(Cl)cc2c1OCC2)Oc1ccc(F)cc1 ZINC000426646494 500300190 /nfs/dbraw/zinc/30/01/90/500300190.db2.gz MBAVVYYACJFOAM-MRXNPFEDSA-N -1 3 365.788 3.036 20 0 FGADHM Cc1ccc(CN[C@@H](Cc2ccc(O)cc2)C(=O)[O-])c(Br)c1 ZINC000426653805 500301355 /nfs/dbraw/zinc/30/13/55/500301355.db2.gz FXUQCAWAMMHBQG-INIZCTEOSA-N -1 3 364.239 3.249 20 0 FGADHM CC(C)COc1cccc(CNC[C@H](Oc2ccc(F)cc2)C(=O)[O-])c1 ZINC000426657974 500302857 /nfs/dbraw/zinc/30/28/57/500302857.db2.gz UBYHMDBHFKVUBD-IBGZPJMESA-N -1 3 361.413 3.482 20 0 FGADHM Cn1c2cc3nc(-c4cc([O-])cc(C(F)(F)F)c4)[nH]c3cc2n(C)c1=O ZINC000430921607 500307219 /nfs/dbraw/zinc/30/72/19/500307219.db2.gz YYSXSPRPLYKOER-UHFFFAOYSA-N -1 3 362.311 3.145 20 0 FGADHM CCOC(=O)c1ccc(NC(=O)c2cccc3ccc(=O)[nH]c32)c([O-])c1 ZINC000573407022 506188634 /nfs/dbraw/zinc/18/86/34/506188634.db2.gz AOHOIUMZEMMJDM-UHFFFAOYSA-N -1 3 352.346 3.075 20 0 FGADHM Cc1ccc(CN[C@H](CSCc2cccc3cccnc32)C(=O)[O-])nc1 ZINC000426738318 500313580 /nfs/dbraw/zinc/31/35/80/500313580.db2.gz VDKJIONNSNTCML-GOSISDBHSA-N -1 3 367.474 3.414 20 0 FGADHM COCCOc1ccc(CN[C@H](C(=O)[O-])c2cccc(C)c2C)cc1OC ZINC000426742671 500314015 /nfs/dbraw/zinc/31/40/15/500314015.db2.gz KXIRWHKTQXPYSY-FQEVSTJZSA-N -1 3 373.449 3.253 20 0 FGADHM O=C([O-])[C@H](NCc1ccc2c(c1)OCCO2)c1ccc(Cl)c(F)c1 ZINC000426761781 500317066 /nfs/dbraw/zinc/31/70/66/500317066.db2.gz DDYAEIXAGCMSLC-MRXNPFEDSA-N -1 3 351.761 3.166 20 0 FGADHM CC(C)c1ccc([C@H](CC(=O)[O-])NCc2ccc3c(c2)nnn3C)cc1 ZINC000426770736 500318083 /nfs/dbraw/zinc/31/80/83/500318083.db2.gz VKVWLMAFRQXEKU-KRWDZBQOSA-N -1 3 352.438 3.397 20 0 FGADHM CCc1ccc([C@H](NCc2cnc3c(cnn3C(C)C)c2)C(=O)[O-])cc1 ZINC000426805736 500322607 /nfs/dbraw/zinc/32/26/07/500322607.db2.gz FGJAXVXWXXYSCF-SFHVURJKSA-N -1 3 352.438 3.490 20 0 FGADHM CCCSC[C@H](NCc1ccc(F)cc1Br)C(=O)[O-] ZINC000426817913 500324895 /nfs/dbraw/zinc/32/48/95/500324895.db2.gz CXIPAEMRMYKMCX-LBPRGKRZSA-N -1 3 350.253 3.274 20 0 FGADHM Cc1ccccc1[C@@H](CC(C)C)NC(=O)CNC(=O)c1cccc([O-])c1 ZINC000426830259 500326600 /nfs/dbraw/zinc/32/66/00/500326600.db2.gz WPFNVVQVGHZKPO-LJQANCHMSA-N -1 3 354.450 3.334 20 0 FGADHM O=C(CNC(=O)c1cccc([O-])c1)NC1(c2ccccc2)CCCCC1 ZINC000426844962 500328096 /nfs/dbraw/zinc/32/80/96/500328096.db2.gz HHFFICMGBLDZKC-UHFFFAOYSA-N -1 3 352.434 3.098 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(N(C)C[C@@H](C)C(=O)OC(C)(C)C)nc2)n1 ZINC000418968139 500333555 /nfs/dbraw/zinc/33/35/55/500333555.db2.gz HAZIKGNQOLVOBA-CYBMUJFWSA-N -1 3 372.469 3.221 20 0 FGADHM CC[C@@H]([N-]S(=O)(=O)c1cnc(C)s1)c1ccccc1OC(F)F ZINC000431091851 500334866 /nfs/dbraw/zinc/33/48/66/500334866.db2.gz VXSASTRFTYCFQD-LLVKDONJSA-N -1 3 362.423 3.483 20 0 FGADHM COC(=O)c1cccc([N-]S(=O)(=O)c2ccc(OC)c(F)c2)c1Cl ZINC000431180771 500346848 /nfs/dbraw/zinc/34/68/48/500346848.db2.gz IFJIHGARSAGBCP-UHFFFAOYSA-N -1 3 373.789 3.075 20 0 FGADHM CCOc1cccc(S(=O)(=O)[N-]c2cccc(C(=O)OC)c2Cl)c1 ZINC000431184915 500347520 /nfs/dbraw/zinc/34/75/20/500347520.db2.gz WDUSIBBVDKCEAQ-UHFFFAOYSA-N -1 3 369.826 3.326 20 0 FGADHM CCCOc1ccc(C(=O)Nc2c(C)[nH]c(=O)[n-]c2=O)cc1OCCC ZINC000427134577 500357488 /nfs/dbraw/zinc/35/74/88/500357488.db2.gz BPDXDKVYARFWOG-UHFFFAOYSA-N -1 3 361.398 3.026 20 0 FGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C(C)(C)C(C)(C)C)cc1OC ZINC000431324520 500363218 /nfs/dbraw/zinc/36/32/18/500363218.db2.gz WZUJIGCEPMSPPH-UHFFFAOYSA-N -1 3 356.488 3.468 20 0 FGADHM Cn1ccnc1-c1csc([N-]C(=O)c2c(F)c(F)cc(F)c2F)n1 ZINC000427337991 500383244 /nfs/dbraw/zinc/38/32/44/500383244.db2.gz XJXUABJRZBNLDB-UHFFFAOYSA-N -1 3 356.304 3.352 20 0 FGADHM O=S(=O)([N-]C1CC1)c1cc(NCc2c(F)cccc2F)ccc1F ZINC000419747359 500392945 /nfs/dbraw/zinc/39/29/45/500392945.db2.gz DIFDYZSZJGKZEL-UHFFFAOYSA-N -1 3 356.369 3.157 20 0 FGADHM CCC[C@H](C)S(=O)(=O)[N-][C@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000576588923 506192863 /nfs/dbraw/zinc/19/28/63/506192863.db2.gz IPGCTRVJUSGTKW-NWDGAFQWSA-N -1 3 355.435 3.353 20 0 FGADHM CCc1ccc([C@@H](C[N-]S(=O)(=O)c2ccco2)N(CC)CC)cc1 ZINC000431583876 500395014 /nfs/dbraw/zinc/39/50/14/500395014.db2.gz UFZDXUNLQRYECV-QGZVFWFLSA-N -1 3 350.484 3.203 20 0 FGADHM Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)CNC(=O)c2cccc([O-])c2)cc1 ZINC000427467136 500396765 /nfs/dbraw/zinc/39/67/65/500396765.db2.gz OMXFWQUQMVIXEI-IERDGZPVSA-N -1 3 366.461 3.430 20 0 FGADHM Cc1ccc([O-])c(C(=O)N(CCO)Cc2cc(Br)cs2)c1 ZINC000427550595 500404663 /nfs/dbraw/zinc/40/46/63/500404663.db2.gz RXKQQZWDTDHFOC-UHFFFAOYSA-N -1 3 370.268 3.159 20 0 FGADHM CC(C)(C)c1cc(CS(=O)(=O)[N-]C[C@@H]2CCC3(CCCCC3)O2)no1 ZINC000570551892 506193794 /nfs/dbraw/zinc/19/37/94/506193794.db2.gz BAJYLRHRRNXUQS-HNNXBMFYSA-N -1 3 370.515 3.273 20 0 FGADHM Cn1c2ccc(NC(=O)c3cc(F)cc4[n-]nnc43)cc2nc1C1CC1 ZINC000431797650 500426106 /nfs/dbraw/zinc/42/61/06/500426106.db2.gz ODOFUCDYCRNMAK-UHFFFAOYSA-N -1 3 350.357 3.113 20 0 FGADHM Cn1c2ccc(NC(=O)c3cc(F)cc4nn[n-]c43)cc2nc1C1CC1 ZINC000431797650 500426108 /nfs/dbraw/zinc/42/61/08/500426108.db2.gz ODOFUCDYCRNMAK-UHFFFAOYSA-N -1 3 350.357 3.113 20 0 FGADHM Cn1c2ccc(NC(=O)c3cc(F)cc4n[n-]nc43)cc2nc1C1CC1 ZINC000431797650 500426109 /nfs/dbraw/zinc/42/61/09/500426109.db2.gz ODOFUCDYCRNMAK-UHFFFAOYSA-N -1 3 350.357 3.113 20 0 FGADHM COC(=O)c1cc(S(=O)(=O)[N-]Cc2cccc3ccccc32)oc1C ZINC000431813591 500428567 /nfs/dbraw/zinc/42/85/67/500428567.db2.gz NKLDFZGEQWPKLM-UHFFFAOYSA-N -1 3 359.403 3.006 20 0 FGADHM O=C(CNC(=O)c1cccc([O-])c1)NC1(c2cccc(Cl)c2)CCCC1 ZINC000427755927 500428580 /nfs/dbraw/zinc/42/85/80/500428580.db2.gz VOYYWGXBYPJFIR-UHFFFAOYSA-N -1 3 372.852 3.361 20 0 FGADHM O=C(NCCc1nc(C(F)(F)F)cs1)c1cc([O-])ccc1Cl ZINC000431842452 500432938 /nfs/dbraw/zinc/43/29/38/500432938.db2.gz GEJUNJLZLJJJTM-UHFFFAOYSA-N -1 3 350.749 3.493 20 0 FGADHM CC(C)C[C@H]([N-]S(=O)(=O)C[C@@H](C)c1ccccc1)C(=O)OC(C)C ZINC000427814043 500436257 /nfs/dbraw/zinc/43/62/57/500436257.db2.gz BJNFYOPEBUFHJK-WBVHZDCISA-N -1 3 355.500 3.076 20 0 FGADHM Cc1nc(-c2ccc([N-]S(=O)(=O)CCOCC3CC3)cc2)cs1 ZINC000424062106 500445591 /nfs/dbraw/zinc/44/55/91/500445591.db2.gz GDESNPKDBIBTFL-UHFFFAOYSA-N -1 3 352.481 3.287 20 0 FGADHM COC(=O)c1[n-]c(=NCCC(=O)Nc2cccc(Cl)c2C)sc1C ZINC000427985969 500454769 /nfs/dbraw/zinc/45/47/69/500454769.db2.gz UPWKDMHKNPWYFO-UHFFFAOYSA-N -1 3 367.858 3.063 20 0 FGADHM Cc1cc(F)c(S(=O)(=O)[N-]Cc2ccc3c(c2)CCCN3)cc1F ZINC000420431882 500457989 /nfs/dbraw/zinc/45/79/89/500457989.db2.gz AWLQFAIQIPAPQF-UHFFFAOYSA-N -1 3 352.406 3.110 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]Cc2ccc3c(c2)CCCN3)c(F)cc1F ZINC000420437140 500458384 /nfs/dbraw/zinc/45/83/84/500458384.db2.gz JNQMHZIYKKENQK-UHFFFAOYSA-N -1 3 352.406 3.110 20 0 FGADHM Cc1cc(C)cc(C2=CCN(C(=O)CNC(=O)c3cccc([O-])c3)CC2)c1 ZINC000428028483 500459796 /nfs/dbraw/zinc/45/97/96/500459796.db2.gz UULYNBUHZYXPBR-UHFFFAOYSA-N -1 3 364.445 3.055 20 0 FGADHM COCc1ccccc1S(=O)(=O)[N-]c1cc(C(C)=O)ccc1Cl ZINC000432052858 500461180 /nfs/dbraw/zinc/46/11/80/500461180.db2.gz MGDUJOOQBWWXFH-UHFFFAOYSA-N -1 3 353.827 3.490 20 0 FGADHM Cn1nc(-c2ccsc2)cc1NC(=O)c1c[n-]c2ccccc2c1=O ZINC000428077747 500465792 /nfs/dbraw/zinc/46/57/92/500465792.db2.gz LNMUVHCSYOJVNY-UHFFFAOYSA-N -1 3 350.403 3.242 20 0 FGADHM Cn1nc(-c2ccsc2)cc1NC(=O)c1cnc2ccccc2c1[O-] ZINC000428077747 500465794 /nfs/dbraw/zinc/46/57/94/500465794.db2.gz LNMUVHCSYOJVNY-UHFFFAOYSA-N -1 3 350.403 3.242 20 0 FGADHM CC(C)([N-]S(C)(=O)=O)c1nc([C@@H]2CCC(C)(C)c3ccccc32)no1 ZINC000420508332 500469929 /nfs/dbraw/zinc/46/99/29/500469929.db2.gz BBQLUHFFDIWCDB-CYBMUJFWSA-N -1 3 363.483 3.057 20 0 FGADHM Cc1cccc(N2CCN(CCCCN=c3[n-]nc(C4CC4)s3)CC2)c1 ZINC000432122649 500473276 /nfs/dbraw/zinc/47/32/76/500473276.db2.gz OGFDNFMNPFHDPZ-UHFFFAOYSA-N -1 3 371.554 3.160 20 0 FGADHM C[C@H](NC(=O)CN1CCCC[C@@H]1CCC(=O)[O-])c1ccc2c(c1)CCCC2 ZINC000424263659 500477550 /nfs/dbraw/zinc/47/75/50/500477550.db2.gz RYVUNGWIVRWCRO-OXJNMPFZSA-N -1 3 372.509 3.462 20 0 FGADHM O=C(CCCc1ccc([O-])c(F)c1)Nc1cccc(F)c1-c1nc[nH]n1 ZINC000428205943 500480789 /nfs/dbraw/zinc/48/07/89/500480789.db2.gz MFKIQCNXIMLIQA-UHFFFAOYSA-N -1 3 358.348 3.417 20 0 FGADHM C[C@@H](C[C@H]1CCCO1)[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000420668944 500485758 /nfs/dbraw/zinc/48/57/58/500485758.db2.gz RSRQIHGUJINMQZ-GXSJLCMTSA-N -1 3 369.817 3.177 20 0 FGADHM Cc1noc(C)c1C[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000420668970 500485973 /nfs/dbraw/zinc/48/59/73/500485973.db2.gz WPYRLGWQRNHFLG-UHFFFAOYSA-N -1 3 366.773 3.025 20 0 FGADHM O=S(=O)([N-][C@@H]1[C@H]2Cc3ccccc3[C@@H]12)c1cc(F)ccc1OC(F)F ZINC000420706301 500490257 /nfs/dbraw/zinc/49/02/57/500490257.db2.gz XHPQZMYVFOGFEW-APHBMKBZSA-N -1 3 369.364 3.044 20 0 FGADHM CC[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(OC)c(Cl)c2Cl)CCO1 ZINC000420730161 500492219 /nfs/dbraw/zinc/49/22/19/500492219.db2.gz RGSFYJQBJNBVCW-UWVGGRQHSA-N -1 3 368.282 3.238 20 0 FGADHM CO[C@](C)(C[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F)C1CC1 ZINC000420733760 500492807 /nfs/dbraw/zinc/49/28/07/500492807.db2.gz TYIIAEJFYWFYMG-CQSZACIVSA-N -1 3 369.817 3.035 20 0 FGADHM CCC[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F)OC ZINC000420761201 500495841 /nfs/dbraw/zinc/49/58/41/500495841.db2.gz XVZGIOOPYYJEGP-SNVBAGLBSA-N -1 3 357.806 3.035 20 0 FGADHM O=S(=O)([N-][C@@H]1Cc2cccc(O)c2C1)c1cc(Cl)cc(Cl)c1 ZINC000428402510 500505542 /nfs/dbraw/zinc/50/55/42/500505542.db2.gz RNNNTBLKMPYZNK-GFCCVEGCSA-N -1 3 358.246 3.145 20 0 FGADHM O=S(=O)([N-][C@H]1Cc2cccc(O)c2C1)c1cc(Cl)ccc1Cl ZINC000428405918 500506225 /nfs/dbraw/zinc/50/62/25/500506225.db2.gz FRLHTQNWGHZDCD-NSHDSACASA-N -1 3 358.246 3.145 20 0 FGADHM C[C@H](Cc1ccc(C(F)(F)F)cc1)[N-]S(=O)(=O)c1cscn1 ZINC000576634411 506202259 /nfs/dbraw/zinc/20/22/59/506202259.db2.gz ZIDLHEKZODUETO-SECBINFHSA-N -1 3 350.387 3.071 20 0 FGADHM COc1cccc([S@@](=O)CC(=O)N2CC[C@@H](C)c3cccc([O-])c32)c1 ZINC000424775569 500561169 /nfs/dbraw/zinc/56/11/69/500561169.db2.gz IANHSPNVTDRKHH-SHZVTRLKSA-N -1 3 359.447 3.049 20 0 FGADHM COc1cccc([S@@](=O)CC(=O)N2CC[C@H](C)c3cccc([O-])c32)c1 ZINC000424775568 500561230 /nfs/dbraw/zinc/56/12/30/500561230.db2.gz IANHSPNVTDRKHH-CANCMXDXSA-N -1 3 359.447 3.049 20 0 FGADHM COC(=O)[C@@H](CNC(=O)Nc1cscc1C)Cc1ccc([O-])c(F)c1 ZINC000421090427 500571034 /nfs/dbraw/zinc/57/10/34/500571034.db2.gz UEHDZPGWIPVLSE-GFCCVEGCSA-N -1 3 366.414 3.055 20 0 FGADHM CC(=O)c1ccc([O-])c(NC(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2C(F)(F)F)c1 ZINC000436933659 500572961 /nfs/dbraw/zinc/57/29/61/500572961.db2.gz IJSJRWXKSJHKBU-CHWSQXEVSA-N -1 3 372.387 3.442 20 0 FGADHM COc1cccc(C(=O)N[C@@H](c2ccc3c(c2)OCCO3)C(C)C)c1[O-] ZINC000436935397 500573928 /nfs/dbraw/zinc/57/39/28/500573928.db2.gz PEPQZYWWCKMXAU-GOSISDBHSA-N -1 3 357.406 3.299 20 0 FGADHM Cn1nccc1Cc1noc(-c2cc(OCc3ccccc3)ccc2[O-])n1 ZINC000436936026 500574454 /nfs/dbraw/zinc/57/44/54/500574454.db2.gz ROCBKEQFSWOTRD-UHFFFAOYSA-N -1 3 362.389 3.346 20 0 FGADHM CC(C)(CC(=O)Nc1cccc(-c2nnn[n-]2)c1)CC(=O)c1ccccc1 ZINC000442247264 500575112 /nfs/dbraw/zinc/57/51/12/500575112.db2.gz BXGFEDHJKXYPLA-UHFFFAOYSA-N -1 3 363.421 3.495 20 0 FGADHM CC(C)(CC(=O)Nc1cccc(-c2nn[n-]n2)c1)CC(=O)c1ccccc1 ZINC000442247264 500575115 /nfs/dbraw/zinc/57/51/15/500575115.db2.gz BXGFEDHJKXYPLA-UHFFFAOYSA-N -1 3 363.421 3.495 20 0 FGADHM O=C(CCCc1cccs1)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436945312 500576010 /nfs/dbraw/zinc/57/60/10/500576010.db2.gz PGSRWEVIGUIXOW-UHFFFAOYSA-N -1 3 372.490 3.197 20 0 FGADHM O=C(C(=O)N1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1)c1ccc([O-])cc1 ZINC000436946934 500577010 /nfs/dbraw/zinc/57/70/10/500577010.db2.gz YGXXGUXLCKFHDW-MRXNPFEDSA-N -1 3 369.808 3.468 20 0 FGADHM CC(C)OC[C@@H](CO)N(C)C(=O)c1cc(C(C)C)cc(C(C)C)c1[O-] ZINC000436953471 500578693 /nfs/dbraw/zinc/57/86/93/500578693.db2.gz PSCSYZGALUBTMV-MRXNPFEDSA-N -1 3 351.487 3.497 20 0 FGADHM O=C(c1ccc2c(c1[O-])CCCC2)N1CCN(c2ncccc2Cl)CC1 ZINC000436957042 500579155 /nfs/dbraw/zinc/57/91/55/500579155.db2.gz RDOMEJBYZMQHCZ-UHFFFAOYSA-N -1 3 371.868 3.282 20 0 FGADHM COC(=O)c1cccc(NC(=O)c2ccc3c(c2)CCCCC3=O)c1[O-] ZINC000436959085 500579370 /nfs/dbraw/zinc/57/93/70/500579370.db2.gz FJLVYFZRTIFQPW-UHFFFAOYSA-N -1 3 353.374 3.340 20 0 FGADHM CN(CC(=O)Nc1cc(F)cc(F)c1)C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000436965241 500581155 /nfs/dbraw/zinc/58/11/55/500581155.db2.gz SUFOGRCQUFMPRP-UHFFFAOYSA-N -1 3 374.387 3.260 20 0 FGADHM CCC[C@@H]1CN(C(=O)c2ccc3ccccc3c2[O-])CCN1CCOC ZINC000436967792 500582024 /nfs/dbraw/zinc/58/20/24/500582024.db2.gz YRRGXPKLTRTRDG-QGZVFWFLSA-N -1 3 356.466 3.118 20 0 FGADHM CCOc1ccc(C(F)(F)F)cc1NC(=O)c1c[n-]c(C(=O)OC)c1 ZINC000432884420 500584869 /nfs/dbraw/zinc/58/48/69/500584869.db2.gz NZEQZFFEPBVUEM-UHFFFAOYSA-N -1 3 356.300 3.471 20 0 FGADHM Cc1csc2c1ncnc2NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436979664 500585137 /nfs/dbraw/zinc/58/51/37/500585137.db2.gz BGCZBRNNZRWRBH-UHFFFAOYSA-N -1 3 368.462 3.422 20 0 FGADHM CC(C)(C)C[C@H](O)CNC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436980201 500585576 /nfs/dbraw/zinc/58/55/76/500585576.db2.gz MTPGNIBRZOPKSN-INIZCTEOSA-N -1 3 357.450 3.498 20 0 FGADHM CN(C)C(=O)c1cc(NC(=O)c2ccc3c(c2[O-])CCCC3)ccc1F ZINC000436979622 500585612 /nfs/dbraw/zinc/58/56/12/500585612.db2.gz ZLHPIRFOLKOWCD-UHFFFAOYSA-N -1 3 356.397 3.364 20 0 FGADHM CCCCOc1ccc(C(=O)N[C@@H](C)C(=O)N2CCCC[C@H]2C)c([O-])c1 ZINC000436985150 500586745 /nfs/dbraw/zinc/58/67/45/500586745.db2.gz CRLNVNHJHDOEJS-CABCVRRESA-N -1 3 362.470 3.090 20 0 FGADHM 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/nfs/dbraw/zinc/88/19/56/500881956.db2.gz HILMFYCEKNDQPC-UHFFFAOYSA-N -1 3 350.260 3.448 20 0 FGADHM C[C@@H]1CC[C@H](NC(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)C1 ZINC000444865840 500913340 /nfs/dbraw/zinc/91/33/40/500913340.db2.gz SAWYDJFYTUHGKK-NEPJUHHUSA-N -1 3 371.478 3.213 20 0 FGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)C2CC2)cc1F ZINC000444866305 500913463 /nfs/dbraw/zinc/91/34/63/500913463.db2.gz YEJAULDUMGJNQC-KRWDZBQOSA-N -1 3 363.410 3.042 20 0 FGADHM O=S(=O)([N-][C@@H]1[C@H]2CCc3ccccc3[C@@H]12)c1cc(F)c(F)c(F)c1 ZINC000435217768 500944614 /nfs/dbraw/zinc/94/46/14/500944614.db2.gz SVEHVSCVBNFWIL-XGWLTEMNSA-N -1 3 353.365 3.111 20 0 FGADHM Cc1nc(C)c(CCC(=O)N[C@@H](C2CCCCC2)C(F)(F)F)c(=O)[n-]1 ZINC000439847322 500945427 /nfs/dbraw/zinc/94/54/27/500945427.db2.gz STMWVDXHAWZQCC-HNNXBMFYSA-N -1 3 359.392 3.359 20 0 FGADHM CC1CCN(CC[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)CC1 ZINC000435428790 500973054 /nfs/dbraw/zinc/97/30/54/500973054.db2.gz SRGUQFPJAUKORO-UHFFFAOYSA-N -1 3 369.289 3.143 20 0 FGADHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)CN1C1CC1 ZINC000435428621 500973461 /nfs/dbraw/zinc/97/34/61/500973461.db2.gz RUFWQARDGWOURQ-SCZZXKLOSA-N -1 3 367.273 3.036 20 0 FGADHM CCOc1cc(-c2noc(C[C@@H](C)NC(=O)C3CCCC3)n2)ccc1[O-] ZINC000445429135 500984356 /nfs/dbraw/zinc/98/43/56/500984356.db2.gz ZPXQWRYUHZAEGV-GFCCVEGCSA-N -1 3 359.426 3.078 20 0 FGADHM CCOc1cc(-c2noc(C[C@H](NC(C)=O)c3cccs3)n2)ccc1[O-] ZINC000445432464 500984601 /nfs/dbraw/zinc/98/46/01/500984601.db2.gz SNRXLTBOBJAJNJ-ZDUSSCGKSA-N -1 3 373.434 3.322 20 0 FGADHM Nc1ncncc1-c1noc(-c2cc(CCc3ccccc3)ccc2[O-])n1 ZINC000445462836 500990607 /nfs/dbraw/zinc/99/06/07/500990607.db2.gz NBYRVFNFOWBAKT-UHFFFAOYSA-N -1 3 359.389 3.097 20 0 FGADHM Cc1ncc(-c2noc(-c3cc(CCc4ccccc4)ccc3[O-])n2)c(N)n1 ZINC000445474563 500992235 /nfs/dbraw/zinc/99/22/35/500992235.db2.gz YKMBGHSGCHSKRV-UHFFFAOYSA-N -1 3 373.416 3.405 20 0 FGADHM COc1ccc(C(=O)NCc2ccc(C(=O)OC(C)(C)C)cc2)c([O-])c1 ZINC000440302474 500995383 /nfs/dbraw/zinc/99/53/83/500995383.db2.gz HGKNXLXHYRJEAQ-UHFFFAOYSA-N -1 3 357.406 3.286 20 0 FGADHM COCCOCCCC[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000440388479 501003208 /nfs/dbraw/zinc/00/32/08/501003208.db2.gz XFPVAEUDSHDNGY-UHFFFAOYSA-N -1 3 371.886 3.215 20 0 FGADHM Cc1ccnc(-c2cccc(NC(=O)c3n[n-]nc3-c3ccccc3)c2)n1 ZINC000435711070 501015376 /nfs/dbraw/zinc/01/53/76/501015376.db2.gz YGYXZOPDYQGXQI-UHFFFAOYSA-N -1 3 356.389 3.489 20 0 FGADHM [O-]c1cccc(/C=C/c2nc(-c3cnc(OCC(F)(F)F)cn3)no2)c1 ZINC000445763241 501029385 /nfs/dbraw/zinc/02/93/85/501029385.db2.gz DKRYCQSLYFWMPZ-SNAWJCMRSA-N -1 3 364.283 3.344 20 0 FGADHM CCNC(=O)Nc1cccc(NC(=O)c2n[n-]nc2-c2ccccc2)c1C ZINC000435916912 501046170 /nfs/dbraw/zinc/04/61/70/501046170.db2.gz KOBDAXYDQMRXJU-UHFFFAOYSA-N -1 3 364.409 3.174 20 0 FGADHM COC(=O)c1scc(C)c1[N-]C(=O)c1nn(-c2ccccc2)cc1OC ZINC000445950997 501054252 /nfs/dbraw/zinc/05/42/52/501054252.db2.gz BCGIUYCEADYDAA-UHFFFAOYSA-N -1 3 371.418 3.290 20 0 FGADHM Cc1onc(-c2ccc(Cl)c(Cl)c2)c1C(=O)[N-]c1nncn1C ZINC000436108762 501071784 /nfs/dbraw/zinc/07/17/84/501071784.db2.gz YCFUNDFKLTXMMN-UHFFFAOYSA-N -1 3 352.181 3.338 20 0 FGADHM COC(=O)c1cccc(F)c1[N-]C(=O)c1csc([C@@H]2CCCO2)n1 ZINC000446106159 501075891 /nfs/dbraw/zinc/07/58/91/501075891.db2.gz ZAJSITDWEJFDHM-LBPRGKRZSA-N -1 3 350.371 3.173 20 0 FGADHM C[S@@](=O)c1ccc(CC(=O)Nc2cc(C(F)(F)F)ccc2[O-])cc1 ZINC000436152043 501079243 /nfs/dbraw/zinc/07/92/43/501079243.db2.gz MRLXZBMTQWJXEP-XMMPIXPASA-N -1 3 357.353 3.330 20 0 FGADHM COC(=O)c1cccc(F)c1[N-]S(=O)(=O)c1cc(C)c(OC)c(C)c1 ZINC000436173968 501083922 /nfs/dbraw/zinc/08/39/22/501083922.db2.gz HZFNMASWTSVICW-UHFFFAOYSA-N -1 3 367.398 3.039 20 0 FGADHM O=C(NCCCNC(=O)[C@@H]1CCC[C@@H]1c1ccccc1)c1cccc([O-])c1 ZINC000449835946 501101984 /nfs/dbraw/zinc/10/19/84/501101984.db2.gz RCVYFSMXVHLVAG-WOJBJXKFSA-N -1 3 366.461 3.212 20 0 FGADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)[C@H]2CCCC[C@H]2OC)[nH][n-]1 ZINC000449838555 501103022 /nfs/dbraw/zinc/10/30/22/501103022.db2.gz GQGVSXLKBFIIGL-SWLSCSKDSA-N -1 3 363.845 3.304 20 0 FGADHM CCOC(=O)c1nc(C2CCN(c3nc4cc(C)cc(C)c4o3)CC2)n[n-]1 ZINC000450488198 501134611 /nfs/dbraw/zinc/13/46/11/501134611.db2.gz UNPJGJHVDWXGGN-UHFFFAOYSA-N -1 3 369.425 3.123 20 0 FGADHM CCOC(=O)c1nnc(C2CCN(c3nc4cc(C)cc(C)c4o3)CC2)[n-]1 ZINC000450488198 501134614 /nfs/dbraw/zinc/13/46/14/501134614.db2.gz UNPJGJHVDWXGGN-UHFFFAOYSA-N -1 3 369.425 3.123 20 0 FGADHM CCOC(=O)c1n[n-]c(C2CCN(c3nc4cc(C)cc(C)c4o3)CC2)n1 ZINC000450488198 501134617 /nfs/dbraw/zinc/13/46/17/501134617.db2.gz UNPJGJHVDWXGGN-UHFFFAOYSA-N -1 3 369.425 3.123 20 0 FGADHM COc1ccc(C(=O)NCc2cc(OC)ccc2Br)c([O-])c1 ZINC000436482791 501136321 /nfs/dbraw/zinc/13/63/21/501136321.db2.gz BTGCXWYGLUABAR-UHFFFAOYSA-N -1 3 366.211 3.102 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)NCC[C@@H](C)c2ccccc2)c([O-])c1 ZINC000436499424 501140143 /nfs/dbraw/zinc/14/01/43/501140143.db2.gz ZTOCGKAIWBHXKF-MRXNPFEDSA-N -1 3 354.450 3.131 20 0 FGADHM C[C@@H]1CCC[C@]1(C)C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000449979365 501143912 /nfs/dbraw/zinc/14/39/12/501143912.db2.gz QFWSQBUISFIKER-DIFFPNOSSA-N -1 3 354.447 3.031 20 0 FGADHM O=C(N[C@H]1CCOc2c(Br)cccc21)c1c([O-])cccc1O ZINC000436513837 501144942 /nfs/dbraw/zinc/14/49/42/501144942.db2.gz MZCWBGMUZMODPO-NSHDSACASA-N -1 3 364.195 3.114 20 0 FGADHM CCCc1c([N-]S(=O)(=O)N(C)CC2CC2)cnn1-c1cccc(C)c1 ZINC000446631235 501145512 /nfs/dbraw/zinc/14/55/12/501145512.db2.gz KQPGWAURGDWYSJ-UHFFFAOYSA-N -1 3 362.499 3.132 20 0 FGADHM COC(=O)[C@@H]1CN(C(=O)c2ccc(C)c(C)c2[O-])C[C@H]1c1ccccc1 ZINC000436516802 501145741 /nfs/dbraw/zinc/14/57/41/501145741.db2.gz MNXMTIXKFVZAIM-ZWKOTPCHSA-N -1 3 353.418 3.038 20 0 FGADHM CCC1(CNC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)CCCCC1 ZINC000436548164 501153307 /nfs/dbraw/zinc/15/33/07/501153307.db2.gz SSHFGHPKEAAKGW-UHFFFAOYSA-N -1 3 373.497 3.220 20 0 FGADHM CCCc1ccc([C@@H](C)N(CC(N)=O)C(=O)c2cccc(C)c2[O-])cc1 ZINC000436549931 501154571 /nfs/dbraw/zinc/15/45/71/501154571.db2.gz RNNLARBKLUKUOU-OAHLLOKOSA-N -1 3 354.450 3.342 20 0 FGADHM CCCN(C[C@@H]1COc2ccccc2O1)C(=O)c1cc(OC)ccc1[O-] ZINC000436551231 501154992 /nfs/dbraw/zinc/15/49/92/501154992.db2.gz XPDVNLQFNIZOSW-OAHLLOKOSA-N -1 3 357.406 3.093 20 0 FGADHM CN(C(=O)c1cc2c(cc1[O-])CCCC2)[C@@H]1CCN(c2ccccc2)C1=O ZINC000436557264 501156186 /nfs/dbraw/zinc/15/61/86/501156186.db2.gz SZBGWANZWRTIRV-LJQANCHMSA-N -1 3 364.445 3.149 20 0 FGADHM CC(=O)c1ccc(C(=O)NCc2ccnc(OC3CCCC3)c2)cc1[O-] ZINC000436564009 501158064 /nfs/dbraw/zinc/15/80/64/501158064.db2.gz ITUNIJHOEAXFPH-UHFFFAOYSA-N -1 3 354.406 3.241 20 0 FGADHM COCCCOC1CN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC000436571693 501159477 /nfs/dbraw/zinc/15/94/77/501159477.db2.gz BUVUJQCGZKEPIG-UHFFFAOYSA-N -1 3 357.406 3.062 20 0 FGADHM C[C@@](O)(CNC(=O)c1cc(Oc2ccccc2)ccc1[O-])C(F)(F)F ZINC000436577653 501161123 /nfs/dbraw/zinc/16/11/23/501161123.db2.gz OUZCONHJDFPCLW-MRXNPFEDSA-N -1 3 355.312 3.228 20 0 FGADHM O=C(NCCCNC(=O)C1CCC1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436578453 501161496 /nfs/dbraw/zinc/16/14/96/501161496.db2.gz VUIHENHTJWKHBA-UHFFFAOYSA-N -1 3 368.433 3.221 20 0 FGADHM CCC[C@@H](CCO)CNC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436583602 501163097 /nfs/dbraw/zinc/16/30/97/501163097.db2.gz HTCUGNDEEZSTSG-INIZCTEOSA-N -1 3 357.450 3.500 20 0 FGADHM Cc1nn(C)c(C)c1[C@@H](NC(=O)c1ccc(C)c(C)c1[O-])C(F)(F)F ZINC000436586529 501164223 /nfs/dbraw/zinc/16/42/23/501164223.db2.gz MNZXHVBNAXZWSR-OAHLLOKOSA-N -1 3 355.360 3.393 20 0 FGADHM CCOc1ccc(C(=O)N(C)C)cc1NC(=O)c1ccc(C)c(C)c1[O-] ZINC000436591825 501164764 /nfs/dbraw/zinc/16/47/64/501164764.db2.gz YAJYTOZOTSXNSZ-UHFFFAOYSA-N -1 3 356.422 3.362 20 0 FGADHM Cc1cccc2c(=O)c(C(=O)Nc3ccc(NC(=O)C4CC4)cc3)c[n-]c12 ZINC000607717108 506237743 /nfs/dbraw/zinc/23/77/43/506237743.db2.gz GZGUZCRCNPNZBP-UHFFFAOYSA-N -1 3 361.401 3.437 20 0 FGADHM O=C(NCCCNC(=O)c1ccc2c3c(cccc31)CC2)c1cccc([O-])c1 ZINC000588218342 506237745 /nfs/dbraw/zinc/23/77/45/506237745.db2.gz FOGFSILQSOIWIR-UHFFFAOYSA-N -1 3 374.440 3.194 20 0 FGADHM COc1cc(OC)c(OC)cc1NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436594970 501166053 /nfs/dbraw/zinc/16/60/53/501166053.db2.gz HDZSVUVJDSHZGE-UHFFFAOYSA-N -1 3 373.405 3.384 20 0 FGADHM O=C(c1ccccc1[O-])N1CCC(N=c2[nH]c3ccccc3s2)CC1 ZINC000436597036 501166788 /nfs/dbraw/zinc/16/67/88/501166788.db2.gz SOGSNOYDNWIWML-UHFFFAOYSA-N -1 3 353.447 3.141 20 0 FGADHM COc1ccc(CN(CCO)C(=O)c2ccc(C(C)C)cc2[O-])c(OC)c1 ZINC000436600144 501166973 /nfs/dbraw/zinc/16/69/73/501166973.db2.gz DCYJZUOHCASPMW-UHFFFAOYSA-N -1 3 373.449 3.168 20 0 FGADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCSC[C@@H]1CCO ZINC000436597315 501167002 /nfs/dbraw/zinc/16/70/02/501167002.db2.gz UUTWRDNSGBZXJK-AWEZNQCLSA-N -1 3 359.447 3.125 20 0 FGADHM CS[C@H]1CN(C(=O)c2ccc3ccccc3c2[O-])C[C@H]1N1CCCC1 ZINC000436619423 501171093 /nfs/dbraw/zinc/17/10/93/501171093.db2.gz WJOZWQOFZLGLOP-MSOLQXFVSA-N -1 3 356.491 3.197 20 0 FGADHM CC1(C)CN(CC(F)(F)F)CCN1C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436622573 501171662 /nfs/dbraw/zinc/17/16/62/501171662.db2.gz DHASAHLRKVGZBV-UHFFFAOYSA-N -1 3 370.415 3.370 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)NC(C)(C)c2cccc(F)c2)c([O-])c1 ZINC000436635354 501174433 /nfs/dbraw/zinc/17/44/33/501174433.db2.gz PEOFARZCPHHBIC-UHFFFAOYSA-N -1 3 358.413 3.011 20 0 FGADHM CC(=O)c1ccc(C(=O)Nc2c(C)nn(C)c2Oc2cccnc2)cc1[O-] ZINC000436633495 501174718 /nfs/dbraw/zinc/17/47/18/501174718.db2.gz ZMZJJGFTUJRPCK-UHFFFAOYSA-N -1 3 366.377 3.076 20 0 FGADHM COc1cc(OC)c(OC)cc1CNC(=O)c1ccc(C(C)C)cc1[O-] ZINC000436636326 501175408 /nfs/dbraw/zinc/17/54/08/501175408.db2.gz QVPDDZVACYLHBV-UHFFFAOYSA-N -1 3 359.422 3.471 20 0 FGADHM C[C@@H](Cc1cccc(Br)c1)NC(=O)c1c([O-])cccc1O ZINC000436645065 501177272 /nfs/dbraw/zinc/17/72/72/501177272.db2.gz AMBIGVJPEARMTL-JTQLQIEISA-N -1 3 350.212 3.221 20 0 FGADHM C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)c1c([O-])cccc1O ZINC000436648375 501178014 /nfs/dbraw/zinc/17/80/14/501178014.db2.gz PZWFWEACQDVNNS-SECBINFHSA-N -1 3 368.202 3.360 20 0 FGADHM CCO[C@H]1C[C@H](NC(=O)c2cc(OC)c([O-])c(OC)c2)C1(CC)CC ZINC000436661335 501181342 /nfs/dbraw/zinc/18/13/42/501181342.db2.gz FGLPSXYWDWBISB-HOTGVXAUSA-N -1 3 351.443 3.123 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N2CCC(c3ccccc3)CC2)c([O-])c1 ZINC000436663767 501182245 /nfs/dbraw/zinc/18/22/45/501182245.db2.gz HMTBFOKQVIYXGH-UHFFFAOYSA-N -1 3 366.461 3.227 20 0 FGADHM COc1ccc(C(=O)N2CCC[C@@H](Oc3ccccc3OC)C2)c([O-])c1 ZINC000436672283 501185269 /nfs/dbraw/zinc/18/52/69/501185269.db2.gz BPUFFGGEJINZKH-OAHLLOKOSA-N -1 3 357.406 3.093 20 0 FGADHM CC1(C)Cc2ccc(C(=O)NC[C@H](c3ccco3)N3CCCC3)c([O-])c2O1 ZINC000436674513 501185499 /nfs/dbraw/zinc/18/54/99/501185499.db2.gz IJRGWOSQHRVQHP-MRXNPFEDSA-N -1 3 370.449 3.266 20 0 FGADHM CC1(C)Cc2ccc(C(=O)N3CCN(Cc4ccccc4)CC3)c([O-])c2O1 ZINC000436676849 501185766 /nfs/dbraw/zinc/18/57/66/501185766.db2.gz UTJVDXJLMUDNBX-UHFFFAOYSA-N -1 3 366.461 3.064 20 0 FGADHM COc1ccc(Cc2noc(-c3cc(OC)c([O-])c(OC)c3)n2)cc1F ZINC000436685479 501187629 /nfs/dbraw/zinc/18/76/29/501187629.db2.gz BCCNIMQRMCWNGD-UHFFFAOYSA-N -1 3 360.341 3.198 20 0 FGADHM Cc1ccc(S[C@@H](C)C(=O)NCCCNC(=O)c2cccc([O-])c2)cc1 ZINC000588218750 506239541 /nfs/dbraw/zinc/23/95/41/506239541.db2.gz BPXCARBIJCAGSG-HNNXBMFYSA-N -1 3 372.490 3.118 20 0 FGADHM CC1(C)Cc2cc(CN3CCN(C(=O)c4ccc([O-])cc4)CC3)ccc2O1 ZINC000436698714 501191445 /nfs/dbraw/zinc/19/14/45/501191445.db2.gz ZKBPZQLHQNXDJN-UHFFFAOYSA-N -1 3 366.461 3.064 20 0 FGADHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1C[C@H](C)CCC[C@@H]1C ZINC000442049494 501193818 /nfs/dbraw/zinc/19/38/18/501193818.db2.gz MICLWKIPDUVKHR-YPMHNXCESA-N -1 3 366.483 3.209 20 0 FGADHM COc1cccc(C(=O)NCCc2ccccc2OC(F)(F)F)c1[O-] ZINC000436715499 501195673 /nfs/dbraw/zinc/19/56/73/501195673.db2.gz LOOMBFOWQVOVJV-UHFFFAOYSA-N -1 3 355.312 3.272 20 0 FGADHM CCOC(=O)c1c(C(C)C)csc1[N-]C(=O)C(=O)N1[C@H](C)CC[C@@H]1C ZINC000442079265 501195923 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CC[C@H](C)c1nnc([C@H](C)NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)[nH]1 ZINC000436742541 501202402 /nfs/dbraw/zinc/20/24/02/501202402.db2.gz XRKRTJWDYALXFZ-QWRGUYRKSA-N -1 3 358.442 3.228 20 0 FGADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N[C@@H]1CC[C@H](F)C1 ZINC000436746739 501202826 /nfs/dbraw/zinc/20/28/26/501202826.db2.gz ZOKJNNURHWJQFB-SCTDSRPQSA-N -1 3 370.424 3.260 20 0 FGADHM CCc1ccc(C(=O)N2CCN(C(=O)c3cc(CC)ccc3[O-])CC2)cc1 ZINC000436753761 501205271 /nfs/dbraw/zinc/20/52/71/501205271.db2.gz GMUSYEOSISLMAZ-UHFFFAOYSA-N -1 3 366.461 3.115 20 0 FGADHM CCOc1nc2cc(C(=O)NCc3cc(COC(C)(C)C)on3)ccc2[n-]1 ZINC000450774841 501205943 /nfs/dbraw/zinc/20/59/43/501205943.db2.gz TWGAAOVYPHSGEL-UHFFFAOYSA-N -1 3 372.425 3.195 20 0 FGADHM CCOc1nc2ccc(C(=O)NCc3cc(COC(C)(C)C)on3)cc2[n-]1 ZINC000450774841 501205946 /nfs/dbraw/zinc/20/59/46/501205946.db2.gz TWGAAOVYPHSGEL-UHFFFAOYSA-N -1 3 372.425 3.195 20 0 FGADHM CCN1CCN(Cc2ccc(NC(=O)c3cc(Cl)ccc3[O-])cc2)CC1 ZINC000436780764 501210045 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VNISTSMWLSRMIP-LBPRGKRZSA-N -1 3 354.166 3.044 20 0 FGADHM CCOc1cc(CN2CCOC[C@@H]2c2c(C)n[nH]c2C)cc(Cl)c1[O-] ZINC000459362730 501639206 /nfs/dbraw/zinc/63/92/06/501639206.db2.gz UMPLZUBIDLUFJY-OAHLLOKOSA-N -1 3 365.861 3.358 20 0 FGADHM C[C@@H](NCc1cc(=O)[n-]c(C2CC2)n1)c1ccc(NC(=O)C2CC2)cc1 ZINC000459387452 501644308 /nfs/dbraw/zinc/64/43/08/501644308.db2.gz DBFNQXBLYWWNOU-GFCCVEGCSA-N -1 3 352.438 3.259 20 0 FGADHM COc1ccc(CN(Cc2cc(=O)[n-]c(C3CC3)n2)[C@H](CO)C(C)C)cc1 ZINC000459391150 501645239 /nfs/dbraw/zinc/64/52/39/501645239.db2.gz CEKFRCOVNPZKIS-LJQANCHMSA-N -1 3 371.481 3.087 20 0 FGADHM CCCc1ccc(-c2cc(=NC(=O)Nc3c(C)ccn(C)c3=O)[nH][n-]2)cc1 ZINC000459431140 501653220 /nfs/dbraw/zinc/65/32/20/501653220.db2.gz JNSGMNWNKCKFRE-UHFFFAOYSA-N -1 3 365.437 3.102 20 0 FGADHM COc1ccc2c(c1)OC[C@H](NCc1cccc([O-])c1Br)C2 ZINC000459442820 501655151 /nfs/dbraw/zinc/65/51/51/501655151.db2.gz AFYPXQCNJWHZLU-CYBMUJFWSA-N -1 3 364.239 3.257 20 0 FGADHM O=C(c1ccc(F)cc1)C1CCN(Cc2cc(=O)[n-]c(C3CC3)n2)CC1 ZINC000459450874 501656017 /nfs/dbraw/zinc/65/60/17/501656017.db2.gz YRMCAIBXRZATLB-UHFFFAOYSA-N -1 3 355.413 3.294 20 0 FGADHM O=C(CCNCc1cccc([O-])c1Br)N1CCCCCC1 ZINC000459462846 501658404 /nfs/dbraw/zinc/65/84/04/501658404.db2.gz KGXHWWVBWCFSIJ-UHFFFAOYSA-N -1 3 355.276 3.037 20 0 FGADHM [O-]c1cccc(CN(CCO)Cc2cccc(F)c2)c1Br ZINC000459512810 501666875 /nfs/dbraw/zinc/66/68/75/501666875.db2.gz RKXXZGFPJMICSI-UHFFFAOYSA-N -1 3 354.219 3.288 20 0 FGADHM CC(C)OCCOC1CCN(Cc2cc(=O)[n-]c(-c3ccccc3)n2)CC1 ZINC000459527409 501669886 /nfs/dbraw/zinc/66/98/86/501669886.db2.gz YQHJFNWDWGZKEM-UHFFFAOYSA-N -1 3 371.481 3.255 20 0 FGADHM CCOc1cc(CN2C[C@@H](CC)O[C@]3(CCOC3)C2)cc(Cl)c1[O-] ZINC000459527647 501670090 /nfs/dbraw/zinc/67/00/90/501670090.db2.gz NHJNRKVVQAJFNK-RDTXWAMCSA-N -1 3 355.862 3.214 20 0 FGADHM O=C(Nc1nnc(-c2cc3ccccc3o2)[n-]1)c1ccc2c(c1)OCCO2 ZINC000485132706 501732966 /nfs/dbraw/zinc/73/29/66/501732966.db2.gz LGWMPQYXQQPZNJ-UHFFFAOYSA-N -1 3 362.345 3.241 20 0 FGADHM O=C(Nc1nc(-c2cc3ccccc3o2)n[n-]1)c1ccc2c(c1)OCCO2 ZINC000485132706 501732970 /nfs/dbraw/zinc/73/29/70/501732970.db2.gz LGWMPQYXQQPZNJ-UHFFFAOYSA-N -1 3 362.345 3.241 20 0 FGADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)c1ccc2c(c1)OCCO2 ZINC000485132706 501732975 /nfs/dbraw/zinc/73/29/75/501732975.db2.gz LGWMPQYXQQPZNJ-UHFFFAOYSA-N -1 3 362.345 3.241 20 0 FGADHM O=C(CCC(=O)c1ccc(Cl)cn1)Nc1n[n-]c(-c2ccccc2F)n1 ZINC000470584878 501736050 /nfs/dbraw/zinc/73/60/50/501736050.db2.gz SYJJUGIFXNHBJD-UHFFFAOYSA-N -1 3 373.775 3.261 20 0 FGADHM CC(C)(CNC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)c1cccc(Cl)c1F ZINC000470598754 501738659 /nfs/dbraw/zinc/73/86/59/501738659.db2.gz BXCLYJMZBWNHOH-UHFFFAOYSA-N -1 3 374.799 3.070 20 0 FGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)[C@@H](C)c2ccccc2)s1 ZINC000474217333 501748069 /nfs/dbraw/zinc/74/80/69/501748069.db2.gz YAPYJUDRYUUYTI-VXGBXAGGSA-N -1 3 353.465 3.005 20 0 FGADHM O=C(NCc1ccc([O-])c(Br)c1)N1CCC[C@@H](C2CC2)C1 ZINC000460358201 501802032 /nfs/dbraw/zinc/80/20/32/501802032.db2.gz KTDTVBPUQCVZDL-CYBMUJFWSA-N -1 3 353.260 3.486 20 0 FGADHM Cc1cc(=NC(=O)NCC2(N[C@H](C)c3ccccc3)CCCC2)[n-]nc1C ZINC000467486909 501806265 /nfs/dbraw/zinc/80/62/65/501806265.db2.gz RATKIRCNOQKWCR-QGZVFWFLSA-N -1 3 367.497 3.300 20 0 FGADHM CCNC(=O)Nc1cccc([N-]S(=O)(=O)c2c(C)cc(F)cc2C)c1 ZINC000485391792 501806972 /nfs/dbraw/zinc/80/69/72/501806972.db2.gz WTXGZNMPLHIIFB-UHFFFAOYSA-N -1 3 365.430 3.385 20 0 FGADHM O=S(=O)([N-]CCOC(F)(F)F)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000474367683 501808571 /nfs/dbraw/zinc/80/85/71/501808571.db2.gz FHEDVVCTPVFXQC-UHFFFAOYSA-N -1 3 371.686 3.174 20 0 FGADHM O=S(=O)([N-]CCOC(F)(F)F)c1c(Cl)ccc2ccccc21 ZINC000474370890 501809689 /nfs/dbraw/zinc/80/96/89/501809689.db2.gz KGVKREMRCKDMAZ-UHFFFAOYSA-N -1 3 353.749 3.308 20 0 FGADHM CCn1cc(S(=O)(=O)[N-][C@H](C)c2cc3cccc(F)c3o2)nc1C ZINC000474374654 501811415 /nfs/dbraw/zinc/81/14/15/501811415.db2.gz HLPWNCXFFNHKAE-SNVBAGLBSA-N -1 3 351.403 3.136 20 0 FGADHM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2)cc1 ZINC000460412761 501819938 /nfs/dbraw/zinc/81/99/38/501819938.db2.gz ONOYPGIRIMVGBD-UHFFFAOYSA-N -1 3 370.377 3.072 20 0 FGADHM COc1cccc(C(=O)N=c2cc(-c3cc(F)cc(F)c3)[n-][nH]2)c1OC ZINC000467711273 501851289 /nfs/dbraw/zinc/85/12/89/501851289.db2.gz BATIBLJTMBJNQM-UHFFFAOYSA-N -1 3 359.332 3.046 20 0 FGADHM CC[C@H](C)C[C@H](C)NC(=O)[C@@H]([N-]S(=O)(=O)c1ccccc1F)C(C)C ZINC000463915583 501852270 /nfs/dbraw/zinc/85/22/70/501852270.db2.gz LQIFMFJMBVZKRX-ZQIUZPCESA-N -1 3 372.506 3.070 20 0 FGADHM CCc1cc(=O)[n-]c(CSCc2nc(Cc3cccc(F)c3)no2)n1 ZINC000485571810 501864161 /nfs/dbraw/zinc/86/41/61/501864161.db2.gz KJQVOQCTZZDQLR-UHFFFAOYSA-N -1 3 360.414 3.291 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H]3CCCc4nccn43)c2)n1 ZINC000485591315 501870864 /nfs/dbraw/zinc/87/08/64/501870864.db2.gz GEZUODQOFXEGLG-MRXNPFEDSA-N -1 3 363.421 3.124 20 0 FGADHM C[C@@H](c1ccccc1)[C@](C)(O)C(=O)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1 ZINC000467805836 501880177 /nfs/dbraw/zinc/88/01/77/501880177.db2.gz FYVZYSDKEWMIQN-YUNKPMOVSA-N -1 3 371.387 3.270 20 0 FGADHM C[C@@H](Cc1cncc2ccccc21)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000485646651 501886787 /nfs/dbraw/zinc/88/67/87/501886787.db2.gz VQEUWZQZSKBIGT-ZDUSSCGKSA-N -1 3 358.405 3.232 20 0 FGADHM C[C@@H](Cc1cncc2ccccc21)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000485646651 501886791 /nfs/dbraw/zinc/88/67/91/501886791.db2.gz VQEUWZQZSKBIGT-ZDUSSCGKSA-N -1 3 358.405 3.232 20 0 FGADHM Cc1cc2c(cc1S(=O)(=O)[N-]c1c(C)cc(N(C)C)cc1C)OCO2 ZINC000481811611 501889587 /nfs/dbraw/zinc/88/95/87/501889587.db2.gz KEYOMLSIOZFOOM-UHFFFAOYSA-N -1 3 362.451 3.207 20 0 FGADHM CCCCc1nc(C(=O)OCC)c(NC(=O)c2ccc(OC)c(F)c2)[n-]1 ZINC000485667634 501893748 /nfs/dbraw/zinc/89/37/48/501893748.db2.gz QBCJUOMMEKSGHO-UHFFFAOYSA-N -1 3 363.389 3.329 20 0 FGADHM CCCCc1nc(NC(=O)c2ccc(OC)c(F)c2)c(C(=O)OCC)[n-]1 ZINC000485667634 501893752 /nfs/dbraw/zinc/89/37/52/501893752.db2.gz QBCJUOMMEKSGHO-UHFFFAOYSA-N -1 3 363.389 3.329 20 0 FGADHM COc1ccccc1C[C@@H](C)N(C)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000464163204 501911766 /nfs/dbraw/zinc/91/17/66/501911766.db2.gz HWXJBGZCYFDMAF-CQSZACIVSA-N -1 3 350.418 3.240 20 0 FGADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)c1cccc2c3c([nH]c21)CCCC3 ZINC000481928783 501921346 /nfs/dbraw/zinc/92/13/46/501921346.db2.gz AURHOGAYJQGJTB-UHFFFAOYSA-N -1 3 363.343 3.114 20 0 FGADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)c1cccc2c3c([nH]c21)CCCC3 ZINC000481928783 501921348 /nfs/dbraw/zinc/92/13/48/501921348.db2.gz AURHOGAYJQGJTB-UHFFFAOYSA-N -1 3 363.343 3.114 20 0 FGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1cccc2c3c([nH]c21)CCCC3 ZINC000481928783 501921349 /nfs/dbraw/zinc/92/13/49/501921349.db2.gz AURHOGAYJQGJTB-UHFFFAOYSA-N -1 3 363.343 3.114 20 0 FGADHM O=S(=O)([N-]c1ccc(F)cc1OC(F)F)N1CCc2ccccc2C1 ZINC000460836323 501933333 /nfs/dbraw/zinc/93/33/33/501933333.db2.gz BLHSAMCLLOTPIZ-UHFFFAOYSA-N -1 3 372.368 3.142 20 0 FGADHM O=C(CCOCc1ccccc1)Nc1nnc(-c2c(F)cccc2F)[n-]1 ZINC000478320644 501942671 /nfs/dbraw/zinc/94/26/71/501942671.db2.gz PUYWQQPQLRRWLU-UHFFFAOYSA-N -1 3 358.348 3.295 20 0 FGADHM O=C(CCOCc1ccccc1)Nc1nc(-c2c(F)cccc2F)n[n-]1 ZINC000478320644 501942677 /nfs/dbraw/zinc/94/26/77/501942677.db2.gz PUYWQQPQLRRWLU-UHFFFAOYSA-N -1 3 358.348 3.295 20 0 FGADHM O=C(CCOCc1ccccc1)Nc1n[n-]c(-c2c(F)cccc2F)n1 ZINC000478320644 501942681 /nfs/dbraw/zinc/94/26/81/501942681.db2.gz PUYWQQPQLRRWLU-UHFFFAOYSA-N -1 3 358.348 3.295 20 0 FGADHM CCc1cc(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)ccc1[O-] ZINC000485807986 501945587 /nfs/dbraw/zinc/94/55/87/501945587.db2.gz ZDQJNGONWVUQIF-UHFFFAOYSA-N -1 3 356.441 3.488 20 0 FGADHM Cn1ccnc1COc1ccc(NC(=O)c2c[n-]c3ccccc3c2=O)cc1 ZINC000485821599 501950714 /nfs/dbraw/zinc/95/07/14/501950714.db2.gz RFGMUSCULVBEOE-UHFFFAOYSA-N -1 3 374.400 3.093 20 0 FGADHM Cn1ccnc1COc1ccc(NC(=O)c2cnc3ccccc3c2[O-])cc1 ZINC000485821599 501950722 /nfs/dbraw/zinc/95/07/22/501950722.db2.gz RFGMUSCULVBEOE-UHFFFAOYSA-N -1 3 374.400 3.093 20 0 FGADHM CCCC1(CNC(=O)N=c2cc3ccc(Br)cn3[n-]2)CC1 ZINC000482051418 501957904 /nfs/dbraw/zinc/95/79/04/501957904.db2.gz RCMAPGQODTZVRW-UHFFFAOYSA-N -1 3 351.248 3.221 20 0 FGADHM CCc1ncc(S(=O)(=O)[N-][C@H]2C[C@H]2c2c(F)cccc2Cl)s1 ZINC000460942216 501965309 /nfs/dbraw/zinc/96/53/09/501965309.db2.gz XNDGIPSSPBCJPP-KCJUWKMLSA-N -1 3 360.863 3.332 20 0 FGADHM CCc1ncc(S(=O)(=O)[N-][C@@H](c2ccc(OC)cc2)C2CC2)s1 ZINC000460941932 501965606 /nfs/dbraw/zinc/96/56/06/501965606.db2.gz VHVVJXFBLZNDCR-MRXNPFEDSA-N -1 3 352.481 3.144 20 0 FGADHM CCCCS(=O)(=O)[N-]Cc1nc(-c2ccc(C(C)(C)C)cc2)no1 ZINC000485864504 501966893 /nfs/dbraw/zinc/96/68/93/501966893.db2.gz QNLXIDXVAUVINE-UHFFFAOYSA-N -1 3 351.472 3.254 20 0 FGADHM CC(C)(C)c1ccc(-c2noc(-c3cncc([N-]S(C)(=O)=O)c3)n2)cc1 ZINC000485865636 501967211 /nfs/dbraw/zinc/96/72/11/501967211.db2.gz WLVJPDQCKMNOKU-UHFFFAOYSA-N -1 3 372.450 3.468 20 0 FGADHM O=C(Nc1nnc(-c2ccccn2)[n-]1)C1(CCOCc2ccccc2)CC1 ZINC000474871314 501976781 /nfs/dbraw/zinc/97/67/81/501976781.db2.gz XEUXDFAKUJSOSJ-UHFFFAOYSA-N -1 3 363.421 3.192 20 0 FGADHM O=C(Nc1nc(-c2ccccn2)n[n-]1)C1(CCOCc2ccccc2)CC1 ZINC000474871314 501976787 /nfs/dbraw/zinc/97/67/87/501976787.db2.gz XEUXDFAKUJSOSJ-UHFFFAOYSA-N -1 3 363.421 3.192 20 0 FGADHM O=C(Nc1n[n-]c(-c2ccccn2)n1)C1(CCOCc2ccccc2)CC1 ZINC000474871314 501976789 /nfs/dbraw/zinc/97/67/89/501976789.db2.gz XEUXDFAKUJSOSJ-UHFFFAOYSA-N -1 3 363.421 3.192 20 0 FGADHM Cc1csc(C(=O)Nc2nc(C)ccc2[O-])c1I ZINC000471289532 501980716 /nfs/dbraw/zinc/98/07/16/501980716.db2.gz SWMSINXQASAJOA-UHFFFAOYSA-N -1 3 374.203 3.322 20 0 FGADHM Cc1cccc2[nH]cc(CC[N-]S(=O)(=O)c3ccc(F)cc3F)c21 ZINC000485906501 501983995 /nfs/dbraw/zinc/98/39/95/501983995.db2.gz ODVFAFSAHSDDJM-UHFFFAOYSA-N -1 3 350.390 3.276 20 0 FGADHM Cc1c(COC(C)(C)C)cccc1NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000474918702 501989815 /nfs/dbraw/zinc/98/98/15/501989815.db2.gz PEGJYDIGUNCWFX-UHFFFAOYSA-N -1 3 366.417 3.446 20 0 FGADHM CCN=c1[n-]c(C(=O)N2CCC(c3c[nH]c4ccccc43)CC2)cs1 ZINC000478482361 501996666 /nfs/dbraw/zinc/99/66/66/501996666.db2.gz RBORGNVKNIIACD-UHFFFAOYSA-N -1 3 354.479 3.498 20 0 FGADHM O=C(CNC(=O)c1cccc([O-])c1)N(C1CC1)[C@H]1CCCc2ccccc21 ZINC000471377071 502003634 /nfs/dbraw/zinc/00/36/34/502003634.db2.gz HSFLJADMJVGMPJ-FQEVSTJZSA-N -1 3 364.445 3.191 20 0 FGADHM CC[C@@H](CSC)N(C)C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482227976 502012498 /nfs/dbraw/zinc/01/24/98/502012498.db2.gz AFBPAAMNTZIRGC-NSHDSACASA-N -1 3 371.304 3.124 20 0 FGADHM O=C(CNC(=O)c1cccc([O-])c1)Nc1ccc(OC2CCCC2)cc1 ZINC000471404747 502014534 /nfs/dbraw/zinc/01/45/34/502014534.db2.gz UZKLCDFKUJWWFQ-UHFFFAOYSA-N -1 3 354.406 3.082 20 0 FGADHM COC(=O)COc1cccc(NC(=O)CCCc2ccc([O-])c(F)c2)c1 ZINC000468341468 502029739 /nfs/dbraw/zinc/02/97/39/502029739.db2.gz UNLVRYPWNJTFCR-UHFFFAOYSA-N -1 3 361.369 3.045 20 0 FGADHM CCC[C@H](C)C(=O)NCCNC(=O)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000482298715 502033535 /nfs/dbraw/zinc/03/35/35/502033535.db2.gz CDPACCWNGGTLOM-JTQLQIEISA-N -1 3 368.890 3.074 20 0 FGADHM 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ZINC000503286570 503383589 /nfs/dbraw/zinc/38/35/89/503383589.db2.gz NOBYPLAFVCLHMP-UHFFFAOYSA-N -1 3 356.748 3.188 20 0 FGADHM O=C(Nc1ccnn1-c1cccc(Cl)c1)c1cc(F)cc2n[n-]nc21 ZINC000503286570 503383593 /nfs/dbraw/zinc/38/35/93/503383593.db2.gz NOBYPLAFVCLHMP-UHFFFAOYSA-N -1 3 356.748 3.188 20 0 FGADHM NC(=O)c1ccc([N-]S(=O)(=O)c2cccc(-c3ccccc3)c2)c(F)c1 ZINC000507904419 503392497 /nfs/dbraw/zinc/39/24/97/503392497.db2.gz UTYBXOGGSWUUFV-UHFFFAOYSA-N -1 3 370.405 3.392 20 0 FGADHM C[C@H](COc1ccc(F)cc1F)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000511853745 503401106 /nfs/dbraw/zinc/40/11/06/503401106.db2.gz DEXHXIOJSZVODE-MRVPVSSYSA-N -1 3 367.826 3.426 20 0 FGADHM Cc1ccc(CN2CCCC2)cc1[N-]S(=O)(=O)c1cccc(N(C)C)c1 ZINC000493103565 503406946 /nfs/dbraw/zinc/40/69/46/503406946.db2.gz GJVCWNSTYQCABU-UHFFFAOYSA-N -1 3 373.522 3.458 20 0 FGADHM C[C@@H]1CC[C@H]1NC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000511879726 503407156 /nfs/dbraw/zinc/40/71/56/503407156.db2.gz MOGTWRKNOOJXAM-BXUZGUMPSA-N -1 3 365.861 3.204 20 0 FGADHM COC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1CCC[C@H]1CCC(C)C ZINC000499450880 503407188 /nfs/dbraw/zinc/40/71/88/503407188.db2.gz UDZFKGKTTOHWOC-ZDUSSCGKSA-N -1 3 366.483 3.209 20 0 FGADHM CCC1(C[N-]S(=O)(=O)c2cc(F)c(Br)cc2OC)CC1 ZINC000503432393 503408251 /nfs/dbraw/zinc/40/82/51/503408251.db2.gz JMRXYBFZEGEFDM-UHFFFAOYSA-N -1 3 366.252 3.065 20 0 FGADHM O=S(=O)([N-][C@@H](CC(F)(F)F)c1ccccc1)c1cn2c(n1)CCCC2 ZINC000503434507 503408646 /nfs/dbraw/zinc/40/86/46/503408646.db2.gz LUARSYJGQPSKIP-ZDUSSCGKSA-N -1 3 373.400 3.191 20 0 FGADHM O=S(=O)([N-][C@@H]1CCCC[C@H]1c1ccccc1)c1cn2c(n1)CCCC2 ZINC000503484252 503418645 /nfs/dbraw/zinc/41/86/45/503418645.db2.gz IGOCKYPBGRLNNW-DLBZAZTESA-N -1 3 359.495 3.224 20 0 FGADHM CC[C@H](C)[C@H](C)[N-]S(=O)(=O)c1cc(F)c(Br)cc1OC ZINC000503487491 503419415 /nfs/dbraw/zinc/41/94/15/503419415.db2.gz MWDAYDHBTCCNBA-IUCAKERBSA-N -1 3 368.268 3.310 20 0 FGADHM CC[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1cc(F)c(Br)cc1OC ZINC000503487488 503419626 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C[C@@H]1OCC[C@]1(C)NCc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[n-]1 ZINC000516159977 503458544 /nfs/dbraw/zinc/45/85/44/503458544.db2.gz MCRNHWKPYMFGGU-WLRWDXFRSA-N -1 3 373.453 3.448 20 0 FGADHM Cc1cc(C)cc(-c2cc(=NC(=O)c3cc4ccccc4c(=O)o3)[nH][n-]2)c1 ZINC000493950340 503463850 /nfs/dbraw/zinc/46/38/50/503463850.db2.gz ONLFXDIJMNWHEO-UHFFFAOYSA-N -1 3 359.385 3.474 20 0 FGADHM O=C(N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1)c1cnn(CCF)c1 ZINC000493964552 503467305 /nfs/dbraw/zinc/46/73/05/503467305.db2.gz DWZHVEUOMAEISQ-UHFFFAOYSA-N -1 3 368.199 3.224 20 0 FGADHM COc1ccc(S(=O)(=O)[N-][C@H](C)[C@@H]2CCCOC2)c(Cl)c1Cl ZINC000503763809 503468975 /nfs/dbraw/zinc/46/89/75/503468975.db2.gz JDGQOXUBGKUOTE-NXEZZACHSA-N -1 3 368.282 3.095 20 0 FGADHM COCC1(C[N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)CCC1 ZINC000499740169 503471988 /nfs/dbraw/zinc/47/19/88/503471988.db2.gz QXCGVJVQJUOCJX-UHFFFAOYSA-N -1 3 352.283 3.397 20 0 FGADHM CC(C)n1cnc(S(=O)(=O)[N-][C@@]2(c3ccc(Cl)cc3)C[C@H]2C)c1 ZINC000499753596 503474043 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CCc1sc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)cc1Br ZINC000549930180 504937021 /nfs/dbraw/zinc/93/70/21/504937021.db2.gz NTSVLBHPISNNNX-UHFFFAOYSA-N -1 3 369.166 3.462 20 0 FGADHM CCc1sc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)cc1Br ZINC000549930180 504937023 /nfs/dbraw/zinc/93/70/23/504937023.db2.gz NTSVLBHPISNNNX-UHFFFAOYSA-N -1 3 369.166 3.462 20 0 FGADHM C[C@@H]1CCCc2nc(S(=O)(=O)[N-][C@H]3C[C@H](c4ccc(F)cc4)C3)cn21 ZINC000562783558 504943539 /nfs/dbraw/zinc/94/35/39/504943539.db2.gz MCQHAEQZJKMQMJ-XNRPHZJLSA-N -1 3 363.458 3.144 20 0 FGADHM O=c1[n-]c(CN2CC[C@@H](O)[C@H](C3CCCC3)C2)nc2c3ccccc3oc21 ZINC000565642393 504946327 /nfs/dbraw/zinc/94/63/27/504946327.db2.gz CCWOHCPUCTWURS-JKSUJKDBSA-N -1 3 367.449 3.455 20 0 FGADHM O=C([O-])[C@@H]1CN(CCCOc2ccc(Cl)cc2)C[C@H]1C(F)(F)F ZINC000556709987 504948533 /nfs/dbraw/zinc/94/85/33/504948533.db2.gz CXPAXVNIBWZSOK-CHWSQXEVSA-N -1 3 351.752 3.304 20 0 FGADHM CCN=c1[n-]c(C(=O)N2CCn3c(cc4ccc(Cl)cc43)C2)cs1 ZINC000559947990 504955972 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ZINC000557180741 505087098 /nfs/dbraw/zinc/08/70/98/505087098.db2.gz KPWZSUIYPWDZKN-UHFFFAOYSA-N -1 3 353.827 3.264 20 0 FGADHM O=C([O-])C[C@@H]1CSCCN1Cc1c(-c2ccccc2)nc2ccccn21 ZINC000563277576 505094104 /nfs/dbraw/zinc/09/41/04/505094104.db2.gz SVSBKHDZCSCONK-MRXNPFEDSA-N -1 3 367.474 3.393 20 0 FGADHM O=C([N-]c1nc2n(n1)CCCC2)c1cnoc1-c1ccc(F)cc1Cl ZINC000560478892 505097883 /nfs/dbraw/zinc/09/78/83/505097883.db2.gz GWWVNIWYXFVKJG-UHFFFAOYSA-N -1 3 361.764 3.314 20 0 FGADHM Cc1ccccc1O[C@H](C)C[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000563316101 505106980 /nfs/dbraw/zinc/10/69/80/505106980.db2.gz QHVXRIJQZJTRPW-GFCCVEGCSA-N -1 3 374.384 3.155 20 0 FGADHM CC(C)Oc1ccc(S(=O)(=O)[N-]c2cccc([C@H]3CCC(=O)N3)c2)cc1 ZINC000563345590 505116266 /nfs/dbraw/zinc/11/62/66/505116266.db2.gz VFKSFBCZZQINQF-GOSISDBHSA-N -1 3 374.462 3.226 20 0 FGADHM C[N-]S(=O)(=O)c1cc(NC(=O)c2ccc(C(C)C)s2)ccc1F ZINC000557368903 505118611 /nfs/dbraw/zinc/11/86/11/505118611.db2.gz KAOGEKPHKZSZER-UHFFFAOYSA-N -1 3 356.444 3.171 20 0 FGADHM C[C@H]1CCc2[nH]c3ccc(C(=O)N=c4[nH][n-]cc4Br)cc3c2C1 ZINC000560541612 505119898 /nfs/dbraw/zinc/11/98/98/505119898.db2.gz FEXUCHSKUXXKPE-VIFPVBQESA-N -1 3 373.254 3.453 20 0 FGADHM COCC1([N-]S(=O)(=O)c2ccc(-c3csc(C)n3)s2)CCCC1 ZINC000563438172 505141816 /nfs/dbraw/zinc/14/18/16/505141816.db2.gz PAHMLLCQCXKWIW-UHFFFAOYSA-N -1 3 372.537 3.418 20 0 FGADHM c1ccc(CC2(c3nc(-c4ccc5n[n-]nc5c4)no3)CCOCC2)cc1 ZINC000566319231 505143346 /nfs/dbraw/zinc/14/33/46/505143346.db2.gz LBMWKQADDGBHGK-UHFFFAOYSA-N -1 3 361.405 3.299 20 0 FGADHM Cc1noc(C)c1C(C)(C)NC(=O)Cc1ccc(Br)cc1[O-] ZINC000560611283 505143398 /nfs/dbraw/zinc/14/33/98/505143398.db2.gz NKXCXMHKBRVBEQ-UHFFFAOYSA-N -1 3 367.243 3.354 20 0 FGADHM COc1ccc(C[NH2+][C@@]2(C(=O)[O-])CCC[C@H](C)C2)c(Br)c1[O-] ZINC000551059663 505149837 /nfs/dbraw/zinc/14/98/37/505149837.db2.gz SKZNBAXTZNBXCH-QFYYESIMSA-N -1 3 372.259 3.286 20 0 FGADHM Cc1nc(C)c(CC(=O)N2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)c(=O)[n-]1 ZINC000557511919 505153220 /nfs/dbraw/zinc/15/32/20/505153220.db2.gz RYNHANQSLKBGPK-BHIYHBOVSA-N -1 3 351.450 3.136 20 0 FGADHM CCOCCN(Cc1ccc(C(=O)[O-])o1)Cc1ccc(-n2ccnc2)cc1 ZINC000566362022 505153636 /nfs/dbraw/zinc/15/36/36/505153636.db2.gz OWERKFCSYQLLGH-UHFFFAOYSA-N -1 3 369.421 3.202 20 0 FGADHM Cc1cc(F)cc(-n2cc(C(=O)[N-]c3cc(F)cc(F)c3F)nn2)c1 ZINC000554363251 505154436 /nfs/dbraw/zinc/15/44/36/505154436.db2.gz CTVBJYKYQWFQGO-UHFFFAOYSA-N -1 3 350.275 3.384 20 0 FGADHM CCc1nn(C)c(CC)c1CC(=O)Nc1ccc(Br)cc1[O-] ZINC000563492589 505154611 /nfs/dbraw/zinc/15/46/11/505154611.db2.gz XOJXMWMPBIODHL-UHFFFAOYSA-N -1 3 366.259 3.194 20 0 FGADHM COc1cc2c(cc1F)[n-]cc(C(=O)Nc1cc(F)cc(F)c1F)c2=O ZINC000554362203 505154927 /nfs/dbraw/zinc/15/49/27/505154927.db2.gz JFCKMYOYHOPRNL-UHFFFAOYSA-N -1 3 366.270 3.345 20 0 FGADHM CC1(C)C[C@@H](O)CCN(C(=O)c2ccc(C(=O)c3cccc([O-])c3)cc2)C1 ZINC000563514036 505162355 /nfs/dbraw/zinc/16/23/55/505162355.db2.gz VVPPMJZRWMBMCC-IBGZPJMESA-N -1 3 367.445 3.246 20 0 FGADHM CC[C@@H]1OCC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000563525319 505166168 /nfs/dbraw/zinc/16/61/68/505166168.db2.gz FAPYEJJXUAQUJH-MNOVXSKESA-N -1 3 357.781 3.205 20 0 FGADHM O=C(NCCc1nc2cc(Cl)ccc2s1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000566431857 505174463 /nfs/dbraw/zinc/17/44/63/505174463.db2.gz QRSMWDRHOXUOTD-UHFFFAOYSA-N -1 3 374.853 3.295 20 0 FGADHM CC(C)C(C)(C)[N-]S(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1 ZINC000560750149 505176548 /nfs/dbraw/zinc/17/65/48/505176548.db2.gz WOYSOWPILXCJPE-UHFFFAOYSA-N -1 3 374.572 3.166 20 0 FGADHM CCc1nc([C@@H](C)[N-]S(=O)(=O)c2cc(C(C)C)ccc2Cl)n[nH]1 ZINC000551209824 505178133 /nfs/dbraw/zinc/17/81/33/505178133.db2.gz ZMQBKLBKZADASG-SNVBAGLBSA-N -1 3 356.879 3.183 20 0 FGADHM CC(C)(C)CCCCC(=O)Nc1cc(N2CCCS2(=O)=O)ccc1[O-] ZINC000557597118 505178685 /nfs/dbraw/zinc/17/86/85/505178685.db2.gz ZOGCCGSJRLBZAZ-UHFFFAOYSA-N -1 3 368.499 3.477 20 0 FGADHM Cn1c2cc([O-])c(NC(=O)c3cccc(C4CCC4)c3)cc2n(C)c1=O ZINC000563578412 505181578 /nfs/dbraw/zinc/18/15/78/505181578.db2.gz OXXJGFWFASXQSW-UHFFFAOYSA-N -1 3 351.406 3.102 20 0 FGADHM C[C@H](Sc1n[n-]c(CO)n1)C(=O)c1ccc(Oc2ccccc2)cc1 ZINC000557659244 505195277 /nfs/dbraw/zinc/19/52/77/505195277.db2.gz URCFCCLIRKRCBB-LBPRGKRZSA-N -1 3 355.419 3.453 20 0 FGADHM Cn1[n-]c(=NC(=O)N[C@H]2CC[C@@H](c3cccc(F)c3)C2)cc1OC(F)F ZINC000563631690 505196878 /nfs/dbraw/zinc/19/68/78/505196878.db2.gz PMNNXADYDAPSQX-YPMHNXCESA-N -1 3 368.359 3.040 20 0 FGADHM CCn1ccnc1[C@@H]1CCCCN1C(=O)c1c[n-]c2ccc(C)cc2c1=O ZINC000557665773 505197344 /nfs/dbraw/zinc/19/73/44/505197344.db2.gz XALPZVVGDQOIPB-SFHVURJKSA-N -1 3 364.449 3.420 20 0 FGADHM CCc1ccc([C@H]2CCCN(C(=O)CNC(=O)c3cccc([O-])c3)C2)cc1 ZINC000557686166 505203142 /nfs/dbraw/zinc/20/31/42/505203142.db2.gz CXBFJASCUOVYHV-IBGZPJMESA-N -1 3 366.461 3.091 20 0 FGADHM O=C(Nc1cc(F)c(F)cc1N1CCOCC1)c1cc(-c2ccco2)[n-]n1 ZINC000557711681 505210076 /nfs/dbraw/zinc/21/00/76/505210076.db2.gz VRNGUQYERIBWEL-UHFFFAOYSA-N -1 3 374.347 3.037 20 0 FGADHM O=C(Nc1cc(F)c(F)cc1N1CCOCC1)c1cc(-c2ccco2)n[n-]1 ZINC000557711681 505210078 /nfs/dbraw/zinc/21/00/78/505210078.db2.gz VRNGUQYERIBWEL-UHFFFAOYSA-N -1 3 374.347 3.037 20 0 FGADHM CCS[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000557786417 505231024 /nfs/dbraw/zinc/23/10/24/505231024.db2.gz ITVOBEXPPMFWAQ-ZJUUUORDSA-N -1 3 354.419 3.053 20 0 FGADHM COCc1cccc(S(=O)(=O)[N-]c2ccc(-n3ccc(C)n3)cc2)c1 ZINC000551444883 505227623 /nfs/dbraw/zinc/22/76/23/505227623.db2.gz COOZAKAJRRZYSR-UHFFFAOYSA-N -1 3 357.435 3.128 20 0 FGADHM CCS[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000557786416 505230702 /nfs/dbraw/zinc/23/07/02/505230702.db2.gz ITVOBEXPPMFWAQ-VHSXEESVSA-N -1 3 354.419 3.053 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1cnccc1C(F)(F)F)c1ccc(Cl)cn1 ZINC000557843586 505244850 /nfs/dbraw/zinc/24/48/50/505244850.db2.gz KOXSWEBZLGFCEB-QMMMGPOBSA-N -1 3 365.764 3.188 20 0 FGADHM Cc1cc(Br)c(S(=O)(=O)[N-]CCSC(C)C)s1 ZINC000557852612 505246268 /nfs/dbraw/zinc/24/62/68/505246268.db2.gz GEZHMMLYYBJJDZ-UHFFFAOYSA-N -1 3 358.348 3.239 20 0 FGADHM C[C@H]1Oc2cc(F)ccc2[C@@H]1[N-]S(=O)(=O)c1ccccc1OC(F)F ZINC000557857207 505247780 /nfs/dbraw/zinc/24/77/80/505247780.db2.gz FLRYOPUMGXCHSP-RFAUZJTJSA-N -1 3 373.352 3.228 20 0 FGADHM O=S(=O)([N-]C[C@@H]1CCCSC1)c1cccc(Br)c1F ZINC000557863684 505250254 /nfs/dbraw/zinc/25/02/54/505250254.db2.gz KSFHUWCDLUSHTO-VIFPVBQESA-N -1 3 368.293 3.010 20 0 FGADHM O=C(Cc1cncc([O-])c1)Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1 ZINC000561109813 505253391 /nfs/dbraw/zinc/25/33/91/505253391.db2.gz REPGUWZNTMJZEY-UHFFFAOYSA-N -1 3 370.478 3.288 20 0 FGADHM O=C(N=c1cc2ccccn2[n-]1)c1csc(Cc2ccc(F)cc2)n1 ZINC000561150279 505264133 /nfs/dbraw/zinc/26/41/33/505264133.db2.gz XUGKFDRWMBDOHC-UHFFFAOYSA-N -1 3 352.394 3.195 20 0 FGADHM C[C@H](NC(=O)Cc1cncc([O-])c1)c1cccc(OCc2ccccn2)c1 ZINC000561166325 505269304 /nfs/dbraw/zinc/26/93/04/505269304.db2.gz LPDKUTZUIZHSBC-HNNXBMFYSA-N -1 3 363.417 3.181 20 0 FGADHM CCOc1nc2ccc(C(=O)Nc3ccc(F)c(NC(=O)NC)c3)cc2[n-]1 ZINC000561172390 505271302 /nfs/dbraw/zinc/27/13/02/505271302.db2.gz OXIAOIFYJHDSPR-UHFFFAOYSA-N -1 3 371.372 3.104 20 0 FGADHM CCOc1nc2cc(C(=O)Nc3ccc(F)c(NC(=O)NC)c3)ccc2[n-]1 ZINC000561172390 505271305 /nfs/dbraw/zinc/27/13/05/505271305.db2.gz OXIAOIFYJHDSPR-UHFFFAOYSA-N -1 3 371.372 3.104 20 0 FGADHM Cc1cc([N-]c2nn3cc(-c4cccnc4)nc3s2)nn1[C@@H](C)C1CC1 ZINC000563913109 505273707 /nfs/dbraw/zinc/27/37/07/505273707.db2.gz BKBDDUALAQIHAM-LBPRGKRZSA-N -1 3 365.466 3.494 20 0 FGADHM Cc1ccc2c(CN[C@@H](c3cnn(C)c3)C(F)(F)F)ccc([O-])c2n1 ZINC000554838825 505276723 /nfs/dbraw/zinc/27/67/23/505276723.db2.gz ABDSKHSCTBNCLU-INIZCTEOSA-N -1 3 350.344 3.376 20 0 FGADHM CCOC(=O)c1c(C)csc1[N-]C(=O)c1cc(C(=O)OC)c(CC)o1 ZINC000554887508 505290752 /nfs/dbraw/zinc/29/07/52/505290752.db2.gz XSQRXQDZSMDWHG-UHFFFAOYSA-N -1 3 365.407 3.428 20 0 FGADHM CCN(CCN1CCCCCC1)C(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000558034601 505293272 /nfs/dbraw/zinc/29/32/72/505293272.db2.gz RXSSJKHKHIVSBR-UHFFFAOYSA-N -1 3 374.460 3.055 20 0 FGADHM O=C(N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1)C1=CCCC1 ZINC000558075514 505302234 /nfs/dbraw/zinc/30/22/34/505302234.db2.gz MWRYMPWSROSMTG-UHFFFAOYSA-N -1 3 350.191 3.449 20 0 FGADHM COCC[C@@H](N=c1ncnc2[nH][n-]cc1-2)c1ccc(Cl)c(Cl)c1 ZINC000561319172 505313807 /nfs/dbraw/zinc/31/38/07/505313807.db2.gz DHEMQIHDQLYDQP-CYBMUJFWSA-N -1 3 352.225 3.223 20 0 FGADHM CCC[C@@H]1CCCC[C@H]1NC(=O)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000551874923 505330461 /nfs/dbraw/zinc/33/04/61/505330461.db2.gz HXIHJIBMHVKOHQ-VQIMIIECSA-N -1 3 373.497 3.219 20 0 FGADHM O=C(N[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1c[n-]nc1-c1ccccn1 ZINC000555074605 505343022 /nfs/dbraw/zinc/34/30/22/505343022.db2.gz XRJBZUPPHMZJNN-SJLPKXTDSA-N -1 3 370.359 3.010 20 0 FGADHM O=C(NC[C@H](CO)Cc1ccncc1Cl)c1cc([O-])c2ccccc2c1 ZINC000551930794 505345494 /nfs/dbraw/zinc/34/54/94/505345494.db2.gz JLOOOCYJAGIEJB-CYBMUJFWSA-N -1 3 370.836 3.175 20 0 FGADHM O=c1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)c[nH]1 ZINC000567038999 505346004 /nfs/dbraw/zinc/34/60/04/505346004.db2.gz VLQIHXCPAXUHSP-UHFFFAOYSA-N -1 3 352.721 3.260 20 0 FGADHM C[C@@H]1CC[C@@H]1NC(=O)c1sccc1S(=O)(=O)[N-]C1CCCCCC1 ZINC000561451789 505349936 /nfs/dbraw/zinc/34/99/36/505349936.db2.gz JWANDRGKAUTPIC-OCCSQVGLSA-N -1 3 370.540 3.278 20 0 FGADHM Cc1ccnc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)c1Br ZINC000564227593 505357614 /nfs/dbraw/zinc/35/76/14/505357614.db2.gz QSGIZLFCBUMHSM-UHFFFAOYSA-N -1 3 367.268 3.442 20 0 FGADHM Cc1cc(-c2noc([C@@H](C)[N-]S(=O)(=O)CCC3(C)CC3)n2)ccc1F ZINC000567085950 505359296 /nfs/dbraw/zinc/35/92/96/505359296.db2.gz QXTMAJPNVTXPCA-GFCCVEGCSA-N -1 3 367.446 3.355 20 0 FGADHM C[C@@H](NC(=O)N=c1nc(C(C)(C)C)[n-]s1)[C@@H](c1ccccc1)N(C)C ZINC000558322611 505359993 /nfs/dbraw/zinc/35/99/93/505359993.db2.gz KCRGITXKXSNDOM-OCCSQVGLSA-N -1 3 361.515 3.070 20 0 FGADHM CSCCCC[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000561514980 505365490 /nfs/dbraw/zinc/36/54/90/505365490.db2.gz TZVCOAIIMRAAOU-UHFFFAOYSA-N -1 3 361.382 3.146 20 0 FGADHM O=S(=O)([N-]CC1CCC(F)(F)CC1)c1cccnc1C(F)(F)F ZINC000567133808 505372868 /nfs/dbraw/zinc/37/28/68/505372868.db2.gz WDBZIDODSAOITD-UHFFFAOYSA-N -1 3 358.332 3.204 20 0 FGADHM Cc1cccc(C(=O)N2CCN(c3nccc4sccc43)CC2)c1[O-] ZINC000567154970 505379600 /nfs/dbraw/zinc/37/96/00/505379600.db2.gz CATNYPYOJVSXBT-UHFFFAOYSA-N -1 3 353.447 3.273 20 0 FGADHM CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000564335727 505387915 /nfs/dbraw/zinc/38/79/15/505387915.db2.gz VEXQVVFNZDCQMF-CYBMUJFWSA-N -1 3 368.359 3.391 20 0 FGADHM O=C(N=c1cc2ccccn2[n-]1)NCc1ccc(-c2ccco2)cc1F ZINC000558463398 505397100 /nfs/dbraw/zinc/39/71/00/505397100.db2.gz FRPKXIARBWFQHE-UHFFFAOYSA-N -1 3 350.353 3.477 20 0 FGADHM COc1ccc(C[C@H](C)CN(C)C(=O)N=c2cc3ccccn3[n-]2)cc1 ZINC000558464964 505398267 /nfs/dbraw/zinc/39/82/67/505398267.db2.gz CMEPZDSDZTYPDZ-HNNXBMFYSA-N -1 3 352.438 3.107 20 0 FGADHM COc1cccc(C(=O)Nc2ccc(N(C(C)=O)[C@H]3C[C@@H]3C)cc2)c1[O-] ZINC000561648802 505399702 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COCC1(C(=O)Nc2nc(-c3ccc4ccccc4n3)n[n-]2)CCCC1 ZINC000615123245 507761005 /nfs/dbraw/zinc/76/10/05/507761005.db2.gz MKOXMDBVVXUOFQ-UHFFFAOYSA-N -1 3 351.410 3.165 20 0 FGADHM COCC1(C(=O)Nc2n[n-]c(-c3ccc4ccccc4n3)n2)CCCC1 ZINC000615123245 507761010 /nfs/dbraw/zinc/76/10/10/507761010.db2.gz MKOXMDBVVXUOFQ-UHFFFAOYSA-N -1 3 351.410 3.165 20 0 FGADHM COC(=O)c1cc(Cl)cc(NC(=O)c2cnc3ccccc3n2)c1[O-] ZINC000588099082 507761645 /nfs/dbraw/zinc/76/16/45/507761645.db2.gz GHBOLXFLXRHSHJ-UHFFFAOYSA-N -1 3 357.753 3.028 20 0 FGADHM O=C1CCc2cc(S(=O)(=O)[N-]CCCC3CCCCC3)c(F)cc2N1 ZINC000615213674 507778716 /nfs/dbraw/zinc/77/87/16/507778716.db2.gz BENZFELTWLWCTG-UHFFFAOYSA-N -1 3 368.474 3.349 20 0 FGADHM O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1csc(=NC2CC2)[n-]1 ZINC000476766306 515187695 /nfs/dbraw/zinc/18/76/95/515187695.db2.gz MESNHIYNQXYHON-KRWDZBQOSA-N -1 3 356.495 3.284 20 0 FGADHM C[C@H](NC(=O)N=c1ccc(C(F)(F)F)n[n-]1)[C@@H](c1ccccc1)N(C)C ZINC000481330872 515292991 /nfs/dbraw/zinc/29/29/91/515292991.db2.gz NOSOQZGKYTVJPV-NHYWBVRUSA-N -1 3 367.375 3.308 20 0 FGADHM C[C@H](Oc1ccc(F)cc1Cl)C(=O)N=c1cc(OC(F)F)n(C)[n-]1 ZINC000490943672 515340339 /nfs/dbraw/zinc/34/03/39/515340339.db2.gz OHHIXKZYQVSGDO-ZETCQYMHSA-N -1 3 363.723 3.220 20 0 FGADHM CCc1cnccc1CNC(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482182335 515599612 /nfs/dbraw/zinc/59/96/12/515599612.db2.gz GBDBMWMTIOKQCM-UHFFFAOYSA-N -1 3 374.242 3.376 20 0 FGADHM Cc1cnc([C@@H](C)NC(=O)N=c2cc3ccc(Br)cn3[n-]2)o1 ZINC000482188951 515603203 /nfs/dbraw/zinc/60/32/03/515603203.db2.gz TVZWYBUEBKGAHQ-SECBINFHSA-N -1 3 364.203 3.276 20 0 FGADHM Cc1cc(C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)c(C)n1Cc1ccncc1 ZINC000473845245 515770975 /nfs/dbraw/zinc/77/09/75/515770975.db2.gz FFLXKBIFWGCSRY-SFHVURJKSA-N -1 3 365.437 3.375 20 0 FGADHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1ccn(-c2cccc(Cl)c2)n1 ZINC000473844870 515771376 /nfs/dbraw/zinc/77/13/76/515771376.db2.gz DAWNXSULLVSFGT-HNNXBMFYSA-N -1 3 357.801 3.353 20 0 FGADHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1cnn(-c2cccc(Cl)c2)c1 ZINC000473849531 515773683 /nfs/dbraw/zinc/77/36/83/515773683.db2.gz LASMNWPBLMJISE-HNNXBMFYSA-N -1 3 357.801 3.353 20 0 FGADHM O=c1[n-]c(-c2cnc(NCC(F)F)cn2)nc2cc(Cl)c(Cl)cc12 ZINC000487501471 515883842 /nfs/dbraw/zinc/88/38/42/515883842.db2.gz MHQUIMNARKJRSU-UHFFFAOYSA-N -1 3 372.162 3.364 20 0 FGADHM CCOc1cccnc1C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000511380853 515884304 /nfs/dbraw/zinc/88/43/04/515884304.db2.gz HCCGIBBUHCHAIV-UHFFFAOYSA-N -1 3 361.199 3.143 20 0 FGADHM CCN=c1[n-]c(C(=O)NC[C@H](CC)N2CCc3ccccc3C2)cs1 ZINC000495170201 516089215 /nfs/dbraw/zinc/08/92/15/516089215.db2.gz FRGRXJQWOLLYTC-INIZCTEOSA-N -1 3 358.511 3.142 20 0 FGADHM COCCCOc1ccc(C(=O)N=c2cc(-c3ccccc3)[n-][nH]2)cn1 ZINC000512184839 516187828 /nfs/dbraw/zinc/18/78/28/516187828.db2.gz NIABPMXEGWBDDD-UHFFFAOYSA-N -1 3 352.394 3.139 20 0 FGADHM CSc1cc(C(=O)N=c2cc(-c3ccncc3)[n-][nH]2)ccc1NC(C)=O ZINC000512312142 516233906 /nfs/dbraw/zinc/23/39/06/516233906.db2.gz HHOZAFAIPMYJGA-UHFFFAOYSA-N -1 3 367.434 3.404 20 0 FGADHM O=C(C[C@@H]1CCCO1)N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1 ZINC000512323611 516239521 /nfs/dbraw/zinc/23/95/21/516239521.db2.gz DHDDOAHMVLWKLY-LBPRGKRZSA-N -1 3 368.206 3.486 20 0 FGADHM CCN=c1[n-]c(C(=O)N2C[C@H](C)N(Cc3ccccc3)C[C@H]2C)cs1 ZINC000501862976 516245533 /nfs/dbraw/zinc/24/55/33/516245533.db2.gz ODXVROQQQYOCOP-LSDHHAIUSA-N -1 3 358.511 3.310 20 0 FGADHM CN(C(=O)N=c1ccc(C2CC2)n[n-]1)C1CCN(Cc2ccccc2)CC1 ZINC000532564211 517036518 /nfs/dbraw/zinc/03/65/18/517036518.db2.gz JVJIRUJJWOKLBE-UHFFFAOYSA-N -1 3 365.481 3.482 20 0 FGADHM CC(C)(C)c1nc(=NC2CCN(CCOc3ccc(F)cc3)CC2)[n-]o1 ZINC000545344893 517186432 /nfs/dbraw/zinc/18/64/32/517186432.db2.gz WVNTZMBECKOXJM-UHFFFAOYSA-N -1 3 362.449 3.462 20 0 FGADHM COc1ccc(C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)cc1Br ZINC000525966738 517261557 /nfs/dbraw/zinc/26/15/57/517261557.db2.gz SQIHGRNFUHBFIV-ZDUSSCGKSA-N -1 3 366.215 3.285 20 0 FGADHM CC(C)Oc1ccc(=NC(=O)N[C@@H](CN)c2ccc3ccccc3c2)[n-]n1 ZINC000516259330 517640155 /nfs/dbraw/zinc/64/01/55/517640155.db2.gz GASVLOXIPQKHHI-KRWDZBQOSA-N -1 3 365.437 3.239 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)c2nn3c(c2C)OCCC3)c1-c1ccc(C)cc1 ZINC000530273749 517671923 /nfs/dbraw/zinc/67/19/23/517671923.db2.gz NAUUYHSFVLHLPR-UHFFFAOYSA-N -1 3 351.410 3.233 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)c1-c1ccccc1F ZINC000530276505 517673401 /nfs/dbraw/zinc/67/34/01/517673401.db2.gz RXGYEYNYKREESJ-CQSZACIVSA-N -1 3 370.428 3.111 20 0 FGADHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)c1ccccc1COC1CCOCC1 ZINC000527499608 517710518 /nfs/dbraw/zinc/71/05/18/517710518.db2.gz MXRHHUPMXOAUMT-GOSISDBHSA-N -1 3 371.437 3.209 20 0 FGADHM Cc1cc(=NC(=O)CCc2nc3ccccc3oc2=O)[n-]n1-c1ccccc1 ZINC000539032735 517892094 /nfs/dbraw/zinc/89/20/94/517892094.db2.gz IVHDITDHRNCWEG-UHFFFAOYSA-N -1 3 374.400 3.253 20 0 FGADHM Cc1nc(COC(C)(C)C)oc1C(=O)N=c1cc(-c2cccnc2)[n-][nH]1 ZINC000522009420 517948153 /nfs/dbraw/zinc/94/81/53/517948153.db2.gz GFPPDJHZAMLYIA-UHFFFAOYSA-N -1 3 355.398 3.336 20 0 FGADHM CCN=c1[n-]c(C(=O)N2CCN(c3ccc(F)cc3Cl)CC2)cs1 ZINC000534593551 517959288 /nfs/dbraw/zinc/95/92/88/517959288.db2.gz LDWASYLYVKMILL-UHFFFAOYSA-N -1 3 368.865 3.330 20 0 FGADHM C[C@H]1CCN(C(=O)N=c2ncn(C(C)(C)C)[n-]2)CCN1Cc1ccccc1 ZINC000543365543 518048956 /nfs/dbraw/zinc/04/89/56/518048956.db2.gz COXKSTZMZMJGIF-INIZCTEOSA-N -1 3 370.501 3.161 20 0 FGADHM CCc1[n-][nH]c(=NC(=O)c2cnn(-c3ccccn3)c2C(F)(F)F)c1C ZINC000534982263 518107611 /nfs/dbraw/zinc/10/76/11/518107611.db2.gz BJYGDIBORKGUCO-UHFFFAOYSA-N -1 3 364.331 3.132 20 0 FGADHM CC[C@@H](c1n[n-]c(=NC(=O)NC[C@H]2CCCN2C)s1)c1ccccc1 ZINC000517379930 518133785 /nfs/dbraw/zinc/13/37/85/518133785.db2.gz NHMHYPJZQWZDRZ-HUUCEWRRSA-N -1 3 359.499 3.296 20 0 FGADHM CCC[C@H](C)c1cc(NC([O-])=C(C[C@@H]2COCCO2)C(F)(F)F)n[nH]1 ZINC000616447457 520019248 /nfs/dbraw/zinc/01/92/48/520019248.db2.gz YYIXRUUUNSRQLX-QJPTWQEYSA-N -1 3 363.380 3.236 20 0 FGADHM CC(C)CC(=O)N[C@H](C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1)c1ccccc1 ZINC000616826327 520164340 /nfs/dbraw/zinc/16/43/40/520164340.db2.gz LHIDGZULACNTDB-APWZRJJASA-N -1 3 370.453 3.103 20 0 FGADHM CCN=c1[n-]c(C(=O)NC[C@H]2CCN(c3ccccc3Cl)C2)cs1 ZINC000617115067 520333945 /nfs/dbraw/zinc/33/39/45/520333945.db2.gz HYRUAAVJXDVJFD-GFCCVEGCSA-N -1 3 364.902 3.485 20 0 FGADHM COC(=O)[C@@H]1CCC[C@@H](C(=O)N=c2[nH][n-]c(C)c2-c2ccc(F)cc2)C1 ZINC000600837901 520494371 /nfs/dbraw/zinc/49/43/71/520494371.db2.gz KDQCQZQIFJQSFF-ZIAGYGMSSA-N -1 3 359.401 3.442 20 0 FGADHM CC(C)Cc1n[n-]c(=NC(=O)NC[C@@H](C)N(C)Cc2ccccc2)s1 ZINC000601085697 520628974 /nfs/dbraw/zinc/62/89/74/520628974.db2.gz FDYKGVRDXYWEGC-CQSZACIVSA-N -1 3 361.515 3.379 20 0 FGADHM CCN=c1[n-]c(C(=O)N2CCCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@H]2O)cs1 ZINC000614324498 520908829 /nfs/dbraw/zinc/90/88/29/520908829.db2.gz SHKRPCXGSDAPBR-WMHQRMGPSA-N -1 3 351.516 3.367 20 0 FGADHM COc1cccc(-c2c(C)[n-][nH]c2=NC(=O)[C@H]2CCn3cc(C)nc3C2)c1 ZINC000629690959 522398123 /nfs/dbraw/zinc/39/81/23/522398123.db2.gz OGPAFNHIXNKQOX-HNNXBMFYSA-N -1 3 365.437 3.100 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@@H]2CC(=O)N[C@H]3CCCC[C@@H]23)c1-c1ccc(C)cc1 ZINC000630021395 522587101 /nfs/dbraw/zinc/58/71/01/522587101.db2.gz GTRCCDDMUNYYKI-BBWFWOEESA-N -1 3 366.465 3.327 20 0 FGADHM CCN=c1[n-]c(C(=O)N2CCC[C@H](c3c[nH]c4ncccc34)C2)cs1 ZINC000636299082 522894688 /nfs/dbraw/zinc/89/46/88/522894688.db2.gz KUGABNWHRVIAGK-LBPRGKRZSA-N -1 3 355.467 3.471 20 0 FGADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)[C@H]1COC[C@H]1c1ccccc1 ZINC000622888111 523530460 /nfs/dbraw/zinc/53/04/60/523530460.db2.gz TXRAOYXNPIMUOO-RYUDHWBXSA-N -1 3 373.762 3.468 20 0 FGADHM Cc1cc(C)c(-c2cc(=NC(=O)C(C)(C)N3CCOCC3)[nH][n-]2)cc1C ZINC000487588457 561372316 /nfs/dbraw/zinc/37/23/16/561372316.db2.gz AEZOFCGQXIBICR-UHFFFAOYSA-N -1 3 356.470 3.051 20 0 FGADHM Cc1ccccc1-c1cc(=NC(=O)CNC(=O)c2cc(F)cc(F)c2)[nH][n-]1 ZINC000500581371 561577394 /nfs/dbraw/zinc/57/73/94/561577394.db2.gz VYXIXIBIJWAOIA-UHFFFAOYSA-N -1 3 370.359 3.032 20 0 FGADHM O=C(N=c1ccn(Cc2ccncc2)[nH]1)c1cc(-c2cccs2)[n-]n1 ZINC000523321254 562210925 /nfs/dbraw/zinc/21/09/25/562210925.db2.gz HBYRLCFFENXDQG-UHFFFAOYSA-N -1 3 350.407 3.030 20 0 FGADHM O=C(N=c1ccn(Cc2ccncc2)[nH]1)c1cc(-c2cccs2)n[n-]1 ZINC000523321254 562210926 /nfs/dbraw/zinc/21/09/26/562210926.db2.gz HBYRLCFFENXDQG-UHFFFAOYSA-N -1 3 350.407 3.030 20 0 FGADHM Cn1cc(-c2ccc(F)c(C(=O)N=c3cc([C@H]4CCCO4)[n-][nH]3)c2)cn1 ZINC000527209796 562280520 /nfs/dbraw/zinc/28/05/20/562280520.db2.gz BXYYETJDIXEZDB-MRXNPFEDSA-N -1 3 355.373 3.053 20 0 FGADHM Cn1c(=O)oc2c1cccc2C(=O)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1 ZINC000535290076 562555080 /nfs/dbraw/zinc/55/50/80/562555080.db2.gz XEZILAXKZYAUCQ-UHFFFAOYSA-N -1 3 370.315 3.052 20 0 FGADHM CCOC(=O)c1ncc(NC(=O)c2cc(C)c(OC(F)F)c(C)c2)[n-]1 ZINC000617877753 568215046 /nfs/dbraw/zinc/21/50/46/568215046.db2.gz ZLYMUGGVBFUCPN-UHFFFAOYSA-N -1 3 353.325 3.057 20 0 FGADHM CCOC(=O)c1nc(NC(=O)c2cc(C)c(OC(F)F)c(C)c2)c[n-]1 ZINC000617877753 568215047 /nfs/dbraw/zinc/21/50/47/568215047.db2.gz ZLYMUGGVBFUCPN-UHFFFAOYSA-N -1 3 353.325 3.057 20 0 FGADHM O=C(c1ccc([O-])cc1)C1CCN(C(=O)c2cc3[nH]cnc3cc2F)CC1 ZINC000644852143 568380652 /nfs/dbraw/zinc/38/06/52/568380652.db2.gz IMLOTERKTLYXKW-UHFFFAOYSA-N -1 3 367.380 3.143 20 0 FGADHM CSc1ccc(Cn2c(C)nnc2-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737189300 598825829 /nfs/dbraw/zinc/82/58/29/598825829.db2.gz DNUNXMSHRYBOTL-UHFFFAOYSA-N -1 3 363.450 3.204 20 0 FGADHM CSc1ccc(Cn2c(C)nnc2-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737189300 598825830 /nfs/dbraw/zinc/82/58/30/598825830.db2.gz DNUNXMSHRYBOTL-UHFFFAOYSA-N -1 3 363.450 3.204 20 0 FGADHM CCCCSCCC(=O)Oc1ccc(-c2nnn[n-]2)cc1OCC ZINC000736462220 598829202 /nfs/dbraw/zinc/82/92/02/598829202.db2.gz CQVJHRSEBVNXMH-UHFFFAOYSA-N -1 3 350.444 3.094 20 0 FGADHM CCCCSCCC(=O)Oc1ccc(-c2nn[n-]n2)cc1OCC ZINC000736462220 598829204 /nfs/dbraw/zinc/82/92/04/598829204.db2.gz CQVJHRSEBVNXMH-UHFFFAOYSA-N -1 3 350.444 3.094 20 0 FGADHM CCc1ccc([C@H]2CCCCCN2C(=O)c2ccc(-c3nnn[n-]3)cn2)o1 ZINC000736689494 598835417 /nfs/dbraw/zinc/83/54/17/598835417.db2.gz YBAGSVYGOHMWMP-MRXNPFEDSA-N -1 3 366.425 3.175 20 0 FGADHM CCc1ccc([C@H]2CCCCCN2C(=O)c2ccc(-c3nn[n-]n3)cn2)o1 ZINC000736689494 598835418 /nfs/dbraw/zinc/83/54/18/598835418.db2.gz YBAGSVYGOHMWMP-MRXNPFEDSA-N -1 3 366.425 3.175 20 0 FGADHM CCCN(CCc1cccc(F)c1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736478562 598838538 /nfs/dbraw/zinc/83/85/38/598838538.db2.gz DLSFEYZOSPQCEP-UHFFFAOYSA-N -1 3 368.416 3.492 20 0 FGADHM CCCN(CCc1cccc(F)c1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736478562 598838539 /nfs/dbraw/zinc/83/85/39/598838539.db2.gz DLSFEYZOSPQCEP-UHFFFAOYSA-N -1 3 368.416 3.492 20 0 FGADHM C[C@H](NC(=O)c1sccc1-c1nnn[n-]1)c1ncc(-c2ccccc2)o1 ZINC000736123776 598848279 /nfs/dbraw/zinc/84/82/79/598848279.db2.gz DAHVBIQGACPMGR-JTQLQIEISA-N -1 3 366.406 3.074 20 0 FGADHM C[C@H](NC(=O)c1sccc1-c1nn[n-]n1)c1ncc(-c2ccccc2)o1 ZINC000736123776 598848281 /nfs/dbraw/zinc/84/82/81/598848281.db2.gz DAHVBIQGACPMGR-JTQLQIEISA-N -1 3 366.406 3.074 20 0 FGADHM c1cc(-c2noc(CCCCOc3cccc(-c4nnn[n-]4)c3)n2)cs1 ZINC000738417779 598859303 /nfs/dbraw/zinc/85/93/03/598859303.db2.gz BWFNXTWSOIITFI-UHFFFAOYSA-N -1 3 368.422 3.380 20 0 FGADHM c1cc(-c2noc(CCCCOc3cccc(-c4nn[n-]n4)c3)n2)cs1 ZINC000738417779 598859304 /nfs/dbraw/zinc/85/93/04/598859304.db2.gz BWFNXTWSOIITFI-UHFFFAOYSA-N -1 3 368.422 3.380 20 0 FGADHM O=C(O[C@@H]1CCCC[C@H]1c1ccc(F)cc1)c1ccc(-c2nnn[n-]2)cn1 ZINC000738213812 598864961 /nfs/dbraw/zinc/86/49/61/598864961.db2.gz HQCWOZDZMYOJPD-DOTOQJQBSA-N -1 3 367.384 3.284 20 0 FGADHM O=C(O[C@@H]1CCCC[C@H]1c1ccc(F)cc1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738213812 598864963 /nfs/dbraw/zinc/86/49/63/598864963.db2.gz HQCWOZDZMYOJPD-DOTOQJQBSA-N -1 3 367.384 3.284 20 0 FGADHM Clc1cc(-c2nnn[n-]2)cnc1N[C@@H](c1ccccc1)[C@@H]1CCCO1 ZINC000737558944 598870594 /nfs/dbraw/zinc/87/05/94/598870594.db2.gz SOBQIFKGFQNOSH-GJZGRUSLSA-N -1 3 356.817 3.247 20 0 FGADHM Clc1cc(-c2nn[n-]n2)cnc1N[C@@H](c1ccccc1)[C@@H]1CCCO1 ZINC000737558944 598870595 /nfs/dbraw/zinc/87/05/95/598870595.db2.gz SOBQIFKGFQNOSH-GJZGRUSLSA-N -1 3 356.817 3.247 20 0 FGADHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)C(C)(C)c1ccccc1 ZINC000736038482 598884321 /nfs/dbraw/zinc/88/43/21/598884321.db2.gz VLUORHRQZGDODG-CQSZACIVSA-N -1 3 366.421 3.155 20 0 FGADHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)C(C)(C)c1ccccc1 ZINC000736038482 598884322 /nfs/dbraw/zinc/88/43/22/598884322.db2.gz VLUORHRQZGDODG-CQSZACIVSA-N -1 3 366.421 3.155 20 0 FGADHM C[C@@H]1CCCCCN1C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736266903 598901428 /nfs/dbraw/zinc/90/14/28/598901428.db2.gz KWPXGZVPAOXELQ-SNVBAGLBSA-N -1 3 350.879 3.481 20 0 FGADHM C[C@@H]1CCCCCN1C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736266903 598901429 /nfs/dbraw/zinc/90/14/29/598901429.db2.gz KWPXGZVPAOXELQ-SNVBAGLBSA-N -1 3 350.879 3.481 20 0 FGADHM CC(C)(C)C(=O)C(=O)N(Cc1ccccc1)c1ccccc1-c1nnn[n-]1 ZINC000735586388 598904290 /nfs/dbraw/zinc/90/42/90/598904290.db2.gz MEKYAGPYTCPZOW-UHFFFAOYSA-N -1 3 363.421 3.015 20 0 FGADHM CC(C)(C)C(=O)C(=O)N(Cc1ccccc1)c1ccccc1-c1nn[n-]n1 ZINC000735586388 598904291 /nfs/dbraw/zinc/90/42/91/598904291.db2.gz MEKYAGPYTCPZOW-UHFFFAOYSA-N -1 3 363.421 3.015 20 0 FGADHM CSc1ccc(O[C@@H](C)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000737191129 598912836 /nfs/dbraw/zinc/91/28/36/598912836.db2.gz QVNYCXQGTHZWFJ-JTQLQIEISA-N -1 3 373.413 3.134 20 0 FGADHM CSc1ccc(O[C@@H](C)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000737191129 598912837 /nfs/dbraw/zinc/91/28/37/598912837.db2.gz QVNYCXQGTHZWFJ-JTQLQIEISA-N -1 3 373.413 3.134 20 0 FGADHM C[C@@H](NC(=O)N1CCC[C@@]2(CC=CCC2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736113554 598919635 /nfs/dbraw/zinc/91/96/35/598919635.db2.gz PMZMBBGLXOVSIS-QRWLVFNGSA-N -1 3 366.469 3.460 20 0 FGADHM C[C@@H](NC(=O)N1CCC[C@@]2(CC=CCC2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736113554 598919637 /nfs/dbraw/zinc/91/96/37/598919637.db2.gz PMZMBBGLXOVSIS-QRWLVFNGSA-N -1 3 366.469 3.460 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OCCSc1ncccc1Cl ZINC000737031410 598937772 /nfs/dbraw/zinc/93/77/72/598937772.db2.gz BQVDVXVJRCJZRN-UHFFFAOYSA-N -1 3 363.830 3.095 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OCCSc1ncccc1Cl ZINC000737031410 598937773 /nfs/dbraw/zinc/93/77/73/598937773.db2.gz BQVDVXVJRCJZRN-UHFFFAOYSA-N -1 3 363.830 3.095 20 0 FGADHM C[C@@](O)(CNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccsc1 ZINC000736144428 598976423 /nfs/dbraw/zinc/97/64/23/598976423.db2.gz ZJZNQEXKUCAICG-CQSZACIVSA-N -1 3 369.372 3.267 20 0 FGADHM C[C@@](O)(CNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccsc1 ZINC000736144428 598976424 /nfs/dbraw/zinc/97/64/24/598976424.db2.gz ZJZNQEXKUCAICG-CQSZACIVSA-N -1 3 369.372 3.267 20 0 FGADHM c1cc(NC[C@@H]2CCCOC2)cc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000823757464 607256232 /nfs/dbraw/zinc/25/62/32/607256232.db2.gz QVMZKJKDFXJDSS-AWEZNQCLSA-N -1 3 351.410 3.498 20 0 FGADHM c1cc(NC[C@@H]2CCCOC2)cc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000823757464 607256233 /nfs/dbraw/zinc/25/62/33/607256233.db2.gz QVMZKJKDFXJDSS-AWEZNQCLSA-N -1 3 351.410 3.498 20 0 FGADHM CCCCN(C)C(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000736453946 598987582 /nfs/dbraw/zinc/98/75/82/598987582.db2.gz UVPNFJBHRDSEHR-UHFFFAOYSA-N -1 3 365.437 3.318 20 0 FGADHM CCCCN(C)C(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000736453946 598987583 /nfs/dbraw/zinc/98/75/83/598987583.db2.gz UVPNFJBHRDSEHR-UHFFFAOYSA-N -1 3 365.437 3.318 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OCCN1CCCc2ccc(C)cc21 ZINC000737031997 598987890 /nfs/dbraw/zinc/98/78/90/598987890.db2.gz JBFWYSQMELARGD-UHFFFAOYSA-N -1 3 365.437 3.015 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OCCN1CCCc2ccc(C)cc21 ZINC000737031997 598987892 /nfs/dbraw/zinc/98/78/92/598987892.db2.gz JBFWYSQMELARGD-UHFFFAOYSA-N -1 3 365.437 3.015 20 0 FGADHM CC(C)[C@H](NC(=O)c1ccc(-c2nnn[n-]2)cn1)c1ccccc1Cl ZINC000735719571 599007121 /nfs/dbraw/zinc/00/71/21/599007121.db2.gz GCZYNCSVRWOQAI-HNNXBMFYSA-N -1 3 356.817 3.042 20 0 FGADHM CC(C)[C@H](NC(=O)c1ccc(-c2nn[n-]n2)cn1)c1ccccc1Cl ZINC000735719571 599007124 /nfs/dbraw/zinc/00/71/24/599007124.db2.gz GCZYNCSVRWOQAI-HNNXBMFYSA-N -1 3 356.817 3.042 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)OCCOC1CCCCCC1 ZINC000737804182 599015198 /nfs/dbraw/zinc/01/51/98/599015198.db2.gz ZGPRBXBCHQVKFG-VAWYXSNFSA-N -1 3 356.426 3.163 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)OCCOC1CCCCCC1 ZINC000737804182 599015199 /nfs/dbraw/zinc/01/51/99/599015199.db2.gz ZGPRBXBCHQVKFG-VAWYXSNFSA-N -1 3 356.426 3.163 20 0 FGADHM O=C(C[C@H]1CCc2ccccc21)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000737817557 599016326 /nfs/dbraw/zinc/01/63/26/599016326.db2.gz CAXJEOGLBBKNLQ-GFCCVEGCSA-N -1 3 365.462 3.476 20 0 FGADHM O=C(C[C@H]1CCc2ccccc21)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000737817557 599016327 /nfs/dbraw/zinc/01/63/27/599016327.db2.gz CAXJEOGLBBKNLQ-GFCCVEGCSA-N -1 3 365.462 3.476 20 0 FGADHM CC(C)CC[C@@H](NC(=O)COc1ccccc1-c1nnn[n-]1)C(C)(C)C ZINC000735797159 599016509 /nfs/dbraw/zinc/01/65/09/599016509.db2.gz LZLZKFWRKJVKSK-MRXNPFEDSA-N -1 3 359.474 3.213 20 0 FGADHM CC(C)CC[C@@H](NC(=O)COc1ccccc1-c1nn[n-]n1)C(C)(C)C ZINC000735797159 599016511 /nfs/dbraw/zinc/01/65/11/599016511.db2.gz LZLZKFWRKJVKSK-MRXNPFEDSA-N -1 3 359.474 3.213 20 0 FGADHM CSc1ccc(O[C@H](C)C(=O)OCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737190907 599017317 /nfs/dbraw/zinc/01/73/17/599017317.db2.gz JYEZQNJBZPCKCA-GFCCVEGCSA-N -1 3 370.434 3.099 20 0 FGADHM CSc1ccc(O[C@H](C)C(=O)OCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737190907 599017319 /nfs/dbraw/zinc/01/73/19/599017319.db2.gz JYEZQNJBZPCKCA-GFCCVEGCSA-N -1 3 370.434 3.099 20 0 FGADHM O=C(c1ccc(-c2nnn[n-]2)cc1)N(Cc1ccc(F)cc1)CC1CC1 ZINC000738256594 599017819 /nfs/dbraw/zinc/01/78/19/599017819.db2.gz ZZETWQSVGCAPDU-UHFFFAOYSA-N -1 3 351.385 3.058 20 0 FGADHM O=C(c1ccc(-c2nn[n-]n2)cc1)N(Cc1ccc(F)cc1)CC1CC1 ZINC000738256594 599017821 /nfs/dbraw/zinc/01/78/21/599017821.db2.gz ZZETWQSVGCAPDU-UHFFFAOYSA-N -1 3 351.385 3.058 20 0 FGADHM Cc1cc(C)cc(CCNC(=O)Nc2cc(-c3nnn[n-]3)ccc2C)c1 ZINC000737251112 599021171 /nfs/dbraw/zinc/02/11/71/599021171.db2.gz ACSBRIBZEWMHIY-UHFFFAOYSA-N -1 3 350.426 3.156 20 0 FGADHM Cc1cc(C)cc(CCNC(=O)Nc2cc(-c3nn[n-]n3)ccc2C)c1 ZINC000737251112 599021173 /nfs/dbraw/zinc/02/11/73/599021173.db2.gz ACSBRIBZEWMHIY-UHFFFAOYSA-N -1 3 350.426 3.156 20 0 FGADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(N2CCC[C@@H]2c2cccnc2)n1 ZINC000737633652 599041564 /nfs/dbraw/zinc/04/15/64/599041564.db2.gz UOERMDMUASIDAJ-GFCCVEGCSA-N -1 3 361.331 3.017 20 0 FGADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(N2CCC[C@@H]2c2cccnc2)n1 ZINC000737633652 599041567 /nfs/dbraw/zinc/04/15/67/599041567.db2.gz UOERMDMUASIDAJ-GFCCVEGCSA-N -1 3 361.331 3.017 20 0 FGADHM CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1Nc1ccc(-c2nn[n-]n2)cc1 ZINC000819939797 599052545 /nfs/dbraw/zinc/05/25/45/599052545.db2.gz JTIMDBADQZXNOO-GOEBONIOSA-N -1 3 372.473 3.362 20 0 FGADHM CC(C)n1cc([C@@H](C)Nc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)cn1 ZINC000736137749 599055986 /nfs/dbraw/zinc/05/59/86/599055986.db2.gz NRVCEXZLHOCDHV-SECBINFHSA-N -1 3 366.351 3.231 20 0 FGADHM CC(C)n1cc([C@@H](C)Nc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)cn1 ZINC000736137749 599055988 /nfs/dbraw/zinc/05/59/88/599055988.db2.gz NRVCEXZLHOCDHV-SECBINFHSA-N -1 3 366.351 3.231 20 0 FGADHM C[C@@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C(=O)N1c1ccccc1 ZINC000820668397 599062717 /nfs/dbraw/zinc/06/27/17/599062717.db2.gz SFBXNQRWVWCRDM-BZNIZROVSA-N -1 3 368.828 3.126 20 0 FGADHM C[C@@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C(=O)N1c1ccccc1 ZINC000820668397 599062719 /nfs/dbraw/zinc/06/27/19/599062719.db2.gz SFBXNQRWVWCRDM-BZNIZROVSA-N -1 3 368.828 3.126 20 0 FGADHM CC1CCC(N(C)C(=O)CSc2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000736242966 599063092 /nfs/dbraw/zinc/06/30/92/599063092.db2.gz SVBCDYBHQKWZLO-UHFFFAOYSA-N -1 3 363.462 3.135 20 0 FGADHM CC1CCC(N(C)C(=O)CSc2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000736242966 599063094 /nfs/dbraw/zinc/06/30/94/599063094.db2.gz SVBCDYBHQKWZLO-UHFFFAOYSA-N -1 3 363.462 3.135 20 0 FGADHM C[C@H](CNc1nc2c(cc1-c1nnn[n-]1)CCC2)Oc1cccc(Cl)c1 ZINC000820281122 599064221 /nfs/dbraw/zinc/06/42/21/599064221.db2.gz RRGUXYBYDYNYID-LLVKDONJSA-N -1 3 370.844 3.283 20 0 FGADHM C[C@H](CNc1nc2c(cc1-c1nn[n-]n1)CCC2)Oc1cccc(Cl)c1 ZINC000820281122 599064222 /nfs/dbraw/zinc/06/42/22/599064222.db2.gz RRGUXYBYDYNYID-LLVKDONJSA-N -1 3 370.844 3.283 20 0 FGADHM C[C@H](C(=O)N(Cc1ccco1)c1ccccc1-c1nnn[n-]1)c1ccco1 ZINC000735514777 599070215 /nfs/dbraw/zinc/07/02/15/599070215.db2.gz VWYBAGFERCPJAN-ZDUSSCGKSA-N -1 3 363.377 3.390 20 0 FGADHM C[C@H](C(=O)N(Cc1ccco1)c1ccccc1-c1nn[n-]n1)c1ccco1 ZINC000735514777 599070219 /nfs/dbraw/zinc/07/02/19/599070219.db2.gz VWYBAGFERCPJAN-ZDUSSCGKSA-N -1 3 363.377 3.390 20 0 FGADHM Fc1ccc(-c2nnn[n-]2)cc1CNc1ncnc2sc3c(c21)CCC3 ZINC000822761302 599070435 /nfs/dbraw/zinc/07/04/35/599070435.db2.gz HEMOVFXMGSFUCP-UHFFFAOYSA-N -1 3 367.413 3.111 20 0 FGADHM Fc1ccc(-c2nn[n-]n2)cc1CNc1ncnc2sc3c(c21)CCC3 ZINC000822761302 599070437 /nfs/dbraw/zinc/07/04/37/599070437.db2.gz HEMOVFXMGSFUCP-UHFFFAOYSA-N -1 3 367.413 3.111 20 0 FGADHM CCc1ccc(CC(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)cc1 ZINC000736681613 599071448 /nfs/dbraw/zinc/07/14/48/599071448.db2.gz CDZXLPDAXJZZHI-UHFFFAOYSA-N -1 3 352.442 3.167 20 0 FGADHM CCc1ccc(CC(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)cc1 ZINC000736681613 599071451 /nfs/dbraw/zinc/07/14/51/599071451.db2.gz CDZXLPDAXJZZHI-UHFFFAOYSA-N -1 3 352.442 3.167 20 0 FGADHM C[C@H]1CN(c2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)C[C@H](C)S1 ZINC000820769351 599074479 /nfs/dbraw/zinc/07/44/79/599074479.db2.gz SULQTFYRPONADC-UWVGGRQHSA-N -1 3 360.874 3.399 20 0 FGADHM C[C@H]1CN(c2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)C[C@H](C)S1 ZINC000820769351 599074480 /nfs/dbraw/zinc/07/44/80/599074480.db2.gz SULQTFYRPONADC-UWVGGRQHSA-N -1 3 360.874 3.399 20 0 FGADHM CC[C@@H](NC(=O)c1sccc1-c1nnn[n-]1)C(C)(C)c1ccccc1 ZINC000736370624 599078122 /nfs/dbraw/zinc/07/81/22/599078122.db2.gz MYOWCRYGJXHIQA-CQSZACIVSA-N -1 3 355.467 3.414 20 0 FGADHM CC[C@@H](NC(=O)c1sccc1-c1nn[n-]n1)C(C)(C)c1ccccc1 ZINC000736370624 599078123 /nfs/dbraw/zinc/07/81/23/599078123.db2.gz MYOWCRYGJXHIQA-CQSZACIVSA-N -1 3 355.467 3.414 20 0 FGADHM CCc1nc(C)c([C@H](C)N(C)C(=O)c2sccc2-c2nnn[n-]2)s1 ZINC000736698542 599078496 /nfs/dbraw/zinc/07/84/96/599078496.db2.gz GKRHLTBPSSORQB-VIFPVBQESA-N -1 3 362.484 3.089 20 0 FGADHM CCc1nc(C)c([C@H](C)N(C)C(=O)c2sccc2-c2nn[n-]n2)s1 ZINC000736698542 599078498 /nfs/dbraw/zinc/07/84/98/599078498.db2.gz GKRHLTBPSSORQB-VIFPVBQESA-N -1 3 362.484 3.089 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1CN1CCSC[C@H]1c1ccccc1 ZINC000737639008 599081663 /nfs/dbraw/zinc/08/16/63/599081663.db2.gz MIGPCXYJUIKJHM-KRWDZBQOSA-N -1 3 355.442 3.296 20 0 FGADHM O=C(CSCc1ccc2c(c1)CCC2)Nc1cccc(-c2nnn[n-]2)c1 ZINC000737936374 599102115 /nfs/dbraw/zinc/10/21/15/599102115.db2.gz NPNZSXWRVWHQCJ-UHFFFAOYSA-N -1 3 365.462 3.227 20 0 FGADHM O=C(CSCc1ccc2c(c1)CCC2)Nc1cccc(-c2nn[n-]n2)c1 ZINC000737936374 599102118 /nfs/dbraw/zinc/10/21/18/599102118.db2.gz NPNZSXWRVWHQCJ-UHFFFAOYSA-N -1 3 365.462 3.227 20 0 FGADHM CCN(C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)[C@H](C)c1cccnc1 ZINC000736506088 599104143 /nfs/dbraw/zinc/10/41/43/599104143.db2.gz QVVGYUXXAWVDOW-UONOGXRCSA-N -1 3 365.441 3.115 20 0 FGADHM CCN(C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)[C@H](C)c1cccnc1 ZINC000736506088 599104146 /nfs/dbraw/zinc/10/41/46/599104146.db2.gz QVVGYUXXAWVDOW-UONOGXRCSA-N -1 3 365.441 3.115 20 0 FGADHM O[C@@H](C[C@@H]1CCCN1c1ncc(-c2nnn[n-]2)cc1Cl)c1ccccc1 ZINC000823674580 599106359 /nfs/dbraw/zinc/10/63/59/599106359.db2.gz ROKUPMDRWPTMBZ-HOCLYGCPSA-N -1 3 370.844 3.008 20 0 FGADHM O[C@@H](C[C@@H]1CCCN1c1ncc(-c2nn[n-]n2)cc1Cl)c1ccccc1 ZINC000823674580 599106361 /nfs/dbraw/zinc/10/63/61/599106361.db2.gz ROKUPMDRWPTMBZ-HOCLYGCPSA-N -1 3 370.844 3.008 20 0 FGADHM FC(F)Oc1cc(-c2nnn[n-]2)ccc1COc1ccc(Cl)nc1 ZINC000822732604 607258908 /nfs/dbraw/zinc/25/89/08/607258908.db2.gz MEMKHEBDSCCKKZ-UHFFFAOYSA-N -1 3 353.716 3.096 20 0 FGADHM FC(F)Oc1cc(-c2nn[n-]n2)ccc1COc1ccc(Cl)nc1 ZINC000822732604 607258909 /nfs/dbraw/zinc/25/89/09/607258909.db2.gz MEMKHEBDSCCKKZ-UHFFFAOYSA-N -1 3 353.716 3.096 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1cc(OCc2ccccc2)ccn1 ZINC000742611304 599133822 /nfs/dbraw/zinc/13/38/22/599133822.db2.gz MWVIVGCMGOLYDP-UHFFFAOYSA-N -1 3 372.388 3.093 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cc(OCc2ccccc2)ccn1 ZINC000742611304 599133823 /nfs/dbraw/zinc/13/38/23/599133823.db2.gz MWVIVGCMGOLYDP-UHFFFAOYSA-N -1 3 372.388 3.093 20 0 FGADHM Cc1cc(Oc2ncccc2-c2nnn[n-]2)ccc1NC(=O)/C=C/C1CC1 ZINC000822211880 599141860 /nfs/dbraw/zinc/14/18/60/599141860.db2.gz RVUJCQJNABMVIN-RMKNXTFCSA-N -1 3 362.393 3.267 20 0 FGADHM CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000820938498 599147920 /nfs/dbraw/zinc/14/79/20/599147920.db2.gz KJNHFAIMUXLBLZ-PVUWLOKVSA-N -1 3 357.458 3.488 20 0 FGADHM CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000820938498 599147921 /nfs/dbraw/zinc/14/79/21/599147921.db2.gz KJNHFAIMUXLBLZ-PVUWLOKVSA-N -1 3 357.458 3.488 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H]1SCCc2ccccc21 ZINC000822215984 599148545 /nfs/dbraw/zinc/14/85/45/599148545.db2.gz AZRFOUMXVFTOQV-MRXNPFEDSA-N -1 3 351.435 3.144 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1SCCc2ccccc21 ZINC000822215984 599148547 /nfs/dbraw/zinc/14/85/47/599148547.db2.gz AZRFOUMXVFTOQV-MRXNPFEDSA-N -1 3 351.435 3.144 20 0 FGADHM COc1ccc(C=C2C(=O)Nc3ccc(Cl)cc32)cc1-c1nnn[n-]1 ZINC000737083459 599150970 /nfs/dbraw/zinc/15/09/70/599150970.db2.gz OSGJDOMHXBEVCY-WUXMJOGZSA-N -1 3 353.769 3.021 20 0 FGADHM COc1ccc(C=C2C(=O)Nc3ccc(Cl)cc32)cc1-c1nn[n-]n1 ZINC000737083459 599150973 /nfs/dbraw/zinc/15/09/73/599150973.db2.gz OSGJDOMHXBEVCY-WUXMJOGZSA-N -1 3 353.769 3.021 20 0 FGADHM Clc1ccccc1OCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000737582522 599160049 /nfs/dbraw/zinc/16/00/49/599160049.db2.gz BTPBGQJHZLKEMC-UHFFFAOYSA-N -1 3 354.757 3.149 20 0 FGADHM Clc1ccccc1OCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000737582522 599160051 /nfs/dbraw/zinc/16/00/51/599160051.db2.gz BTPBGQJHZLKEMC-UHFFFAOYSA-N -1 3 354.757 3.149 20 0 FGADHM C[C@H](NC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000736100655 599160662 /nfs/dbraw/zinc/16/06/62/599160662.db2.gz MYMPLEOJXUAPBL-LEWSCRJBSA-N -1 3 369.375 3.126 20 0 FGADHM C[C@H](NC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000736100655 599160664 /nfs/dbraw/zinc/16/06/64/599160664.db2.gz MYMPLEOJXUAPBL-LEWSCRJBSA-N -1 3 369.375 3.126 20 0 FGADHM Fc1cc(-c2nnn[n-]2)ccc1SCc1noc(-c2ccccc2)n1 ZINC000737643127 599169619 /nfs/dbraw/zinc/16/96/19/599169619.db2.gz BDMQYBQSRHBCES-UHFFFAOYSA-N -1 3 354.370 3.348 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1SCc1noc(-c2ccccc2)n1 ZINC000737643127 599169620 /nfs/dbraw/zinc/16/96/20/599169620.db2.gz BDMQYBQSRHBCES-UHFFFAOYSA-N -1 3 354.370 3.348 20 0 FGADHM Cc1ccc([C@@H]2CSCCN2C(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737333376 599167606 /nfs/dbraw/zinc/16/76/06/599167606.db2.gz UORWYEJNALYPAN-KRWDZBQOSA-N -1 3 365.462 3.105 20 0 FGADHM Cc1ccc([C@@H]2CSCCN2C(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737333376 599167607 /nfs/dbraw/zinc/16/76/07/599167607.db2.gz UORWYEJNALYPAN-KRWDZBQOSA-N -1 3 365.462 3.105 20 0 FGADHM Cc1ccc(N2CC[C@@H](Sc3ccc(-c4nnn[n-]4)cc3F)C2=O)cc1 ZINC000737350901 599169129 /nfs/dbraw/zinc/16/91/29/599169129.db2.gz JOFGFRVKXUYTDC-MRXNPFEDSA-N -1 3 369.425 3.212 20 0 FGADHM Cc1ccc(N2CC[C@@H](Sc3ccc(-c4nn[n-]n4)cc3F)C2=O)cc1 ZINC000737350901 599169131 /nfs/dbraw/zinc/16/91/31/599169131.db2.gz JOFGFRVKXUYTDC-MRXNPFEDSA-N -1 3 369.425 3.212 20 0 FGADHM CCOC(=O)[C@H](Cc1ccccc1)Sc1ccc(-c2nnn[n-]2)cc1F ZINC000736591968 599169264 /nfs/dbraw/zinc/16/92/64/599169264.db2.gz YWULYSIHMMVWTC-INIZCTEOSA-N -1 3 372.425 3.272 20 0 FGADHM CCOC(=O)[C@H](Cc1ccccc1)Sc1ccc(-c2nn[n-]n2)cc1F ZINC000736591968 599169267 /nfs/dbraw/zinc/16/92/67/599169267.db2.gz YWULYSIHMMVWTC-INIZCTEOSA-N -1 3 372.425 3.272 20 0 FGADHM Cc1ccc(CCC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1Cl ZINC000822234796 599169446 /nfs/dbraw/zinc/16/94/46/599169446.db2.gz HTJCUQPWTFHGGT-UHFFFAOYSA-N -1 3 373.819 3.217 20 0 FGADHM Cc1ccc(CCC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1Cl ZINC000822234796 599169449 /nfs/dbraw/zinc/16/94/49/599169449.db2.gz HTJCUQPWTFHGGT-UHFFFAOYSA-N -1 3 373.819 3.217 20 0 FGADHM S=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CCC[C@@H]2CCC[C@H]21 ZINC000738400552 599176382 /nfs/dbraw/zinc/17/63/82/599176382.db2.gz GKDBPVDBUBTPEW-IINYFYTJSA-N -1 3 362.890 3.481 20 0 FGADHM S=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CCC[C@@H]2CCC[C@H]21 ZINC000738400552 599176384 /nfs/dbraw/zinc/17/63/84/599176384.db2.gz GKDBPVDBUBTPEW-IINYFYTJSA-N -1 3 362.890 3.481 20 0 FGADHM COc1ccc(C(=O)N(CC(C)C)c2ccc(-c3nnn[n-]3)cc2)c(C)c1 ZINC000737066641 599185605 /nfs/dbraw/zinc/18/56/05/599185605.db2.gz PZXVPHGSFNTJED-UHFFFAOYSA-N -1 3 365.437 3.487 20 0 FGADHM COc1ccc(C(=O)N(CC(C)C)c2ccc(-c3nn[n-]n3)cc2)c(C)c1 ZINC000737066641 599185607 /nfs/dbraw/zinc/18/56/07/599185607.db2.gz PZXVPHGSFNTJED-UHFFFAOYSA-N -1 3 365.437 3.487 20 0 FGADHM Cc1ccncc1C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000737444499 599185738 /nfs/dbraw/zinc/18/57/38/599185738.db2.gz MDHTYVNDPFUWBI-UHFFFAOYSA-N -1 3 373.376 3.010 20 0 FGADHM Cc1ccccc1[C@@H](C)CC(=O)OCCOc1cccc(-c2nnn[n-]2)c1 ZINC000737421833 599186543 /nfs/dbraw/zinc/18/65/43/599186543.db2.gz MPIJMHHQTIQTIQ-HNNXBMFYSA-N -1 3 366.421 3.291 20 0 FGADHM Cc1ccccc1[C@@H](C)CC(=O)OCCOc1cccc(-c2nn[n-]n2)c1 ZINC000737421833 599186545 /nfs/dbraw/zinc/18/65/45/599186545.db2.gz MPIJMHHQTIQTIQ-HNNXBMFYSA-N -1 3 366.421 3.291 20 0 FGADHM Cc1cc(C)c(-c2nnn[n-]2)c(NCCc2c[nH]c3ccc(F)cc23)n1 ZINC000737242663 599206090 /nfs/dbraw/zinc/20/60/90/599206090.db2.gz XYMROYOUPAKRLT-UHFFFAOYSA-N -1 3 351.389 3.154 20 0 FGADHM Cc1cc(C)c(-c2nn[n-]n2)c(NCCc2c[nH]c3ccc(F)cc23)n1 ZINC000737242663 599206092 /nfs/dbraw/zinc/20/60/92/599206092.db2.gz XYMROYOUPAKRLT-UHFFFAOYSA-N -1 3 351.389 3.154 20 0 FGADHM CCS[C@@H]1CC[C@H](N(C)C(=O)C=Cc2ccccc2-c2nnn[n-]2)C1 ZINC000821447006 599212813 /nfs/dbraw/zinc/21/28/13/599212813.db2.gz HAOLDPWZUTWBFF-COFUAWPYSA-N -1 3 357.483 3.013 20 0 FGADHM CCS[C@@H]1CC[C@H](N(C)C(=O)C=Cc2ccccc2-c2nn[n-]n2)C1 ZINC000821447006 599212815 /nfs/dbraw/zinc/21/28/15/599212815.db2.gz HAOLDPWZUTWBFF-COFUAWPYSA-N -1 3 357.483 3.013 20 0 FGADHM CC(C)OCC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000820142488 599219763 /nfs/dbraw/zinc/21/97/63/599219763.db2.gz NGGVADIHZGCAEZ-UHFFFAOYSA-N -1 3 371.372 3.162 20 0 FGADHM CC(C)OCC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000820142488 599219764 /nfs/dbraw/zinc/21/97/64/599219764.db2.gz NGGVADIHZGCAEZ-UHFFFAOYSA-N -1 3 371.372 3.162 20 0 FGADHM O=C(NCc1ccsc1)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000826443565 607833779 /nfs/dbraw/zinc/83/37/79/607833779.db2.gz VTILHQHNCNBFJW-UHFFFAOYSA-N -1 3 354.222 3.165 20 0 FGADHM Cc1cc(C)c(-c2nnn[n-]2)c(NCCc2ccc(Br)cc2)n1 ZINC000737239203 599231569 /nfs/dbraw/zinc/23/15/69/599231569.db2.gz AQDNDHWYWJIEAM-UHFFFAOYSA-N -1 3 373.258 3.296 20 0 FGADHM Cc1cc(C)c(-c2nn[n-]n2)c(NCCc2ccc(Br)cc2)n1 ZINC000737239203 599231570 /nfs/dbraw/zinc/23/15/70/599231570.db2.gz AQDNDHWYWJIEAM-UHFFFAOYSA-N -1 3 373.258 3.296 20 0 FGADHM Cc1ccc(C(C)(C)CN(C)C(=O)c2sccc2-c2nnn[n-]2)cc1 ZINC000737316970 599232198 /nfs/dbraw/zinc/23/21/98/599232198.db2.gz IZKCDEJOXRGYLD-UHFFFAOYSA-N -1 3 355.467 3.286 20 0 FGADHM Cc1ccc(C(C)(C)CN(C)C(=O)c2sccc2-c2nn[n-]n2)cc1 ZINC000737316970 599232199 /nfs/dbraw/zinc/23/21/99/599232199.db2.gz IZKCDEJOXRGYLD-UHFFFAOYSA-N -1 3 355.467 3.286 20 0 FGADHM CC[C@@H](C)N(Cc1ccccc1)C(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000820875467 607262843 /nfs/dbraw/zinc/26/28/43/607262843.db2.gz ATCWREANLHMHJF-GFCCVEGCSA-N -1 3 370.844 3.356 20 0 FGADHM CC[C@@H](C)N(Cc1ccccc1)C(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000820875467 607262844 /nfs/dbraw/zinc/26/28/44/607262844.db2.gz ATCWREANLHMHJF-GFCCVEGCSA-N -1 3 370.844 3.356 20 0 FGADHM C[S@](=O)Cc1ccc(Cl)c(NCc2ccccc2-c2nnn[n-]2)c1 ZINC000737171911 599233095 /nfs/dbraw/zinc/23/30/95/599233095.db2.gz GCXVDRYXDTVFGH-DEOSSOPVSA-N -1 3 361.858 3.011 20 0 FGADHM C[S@](=O)Cc1ccc(Cl)c(NCc2ccccc2-c2nn[n-]n2)c1 ZINC000737171911 599233098 /nfs/dbraw/zinc/23/30/98/599233098.db2.gz GCXVDRYXDTVFGH-DEOSSOPVSA-N -1 3 361.858 3.011 20 0 FGADHM Cc1cccc(NC(=S)NCc2cc(-c3nnn[n-]3)ccc2F)c1C ZINC000822323867 599229076 /nfs/dbraw/zinc/22/90/76/599229076.db2.gz PNAMOIZSNUFDOW-UHFFFAOYSA-N -1 3 356.430 3.109 20 0 FGADHM Cc1cccc(NC(=S)NCc2cc(-c3nn[n-]n3)ccc2F)c1C ZINC000822323867 599229078 /nfs/dbraw/zinc/22/90/78/599229078.db2.gz PNAMOIZSNUFDOW-UHFFFAOYSA-N -1 3 356.430 3.109 20 0 FGADHM CN(C(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1)C1CCC1 ZINC000736741673 599229159 /nfs/dbraw/zinc/22/91/59/599229159.db2.gz IBELMKLZANLCPW-UHFFFAOYSA-N -1 3 363.421 3.070 20 0 FGADHM Cc1c(NC(=O)C=Cc2nc3ccccc3s2)cccc1-c1nnn[n-]1 ZINC000822068939 607268802 /nfs/dbraw/zinc/26/88/02/607268802.db2.gz WXHLPATZWRHQER-KTKRTIGZSA-N -1 3 362.418 3.437 20 0 FGADHM Cc1c(NC(=O)C=Cc2nc3ccccc3s2)cccc1-c1nn[n-]n1 ZINC000822068939 607268803 /nfs/dbraw/zinc/26/88/03/607268803.db2.gz WXHLPATZWRHQER-KTKRTIGZSA-N -1 3 362.418 3.437 20 0 FGADHM Cc1c(NC(=O)[C@H]2C[C@H]2c2cccc(F)c2F)cccc1-c1nnn[n-]1 ZINC000822059592 607267079 /nfs/dbraw/zinc/26/70/79/607267079.db2.gz DEGRRNTWBWZIGM-STQMWFEESA-N -1 3 355.348 3.196 20 0 FGADHM Cc1c(NC(=O)[C@H]2C[C@H]2c2cccc(F)c2F)cccc1-c1nn[n-]n1 ZINC000822059592 607267080 /nfs/dbraw/zinc/26/70/80/607267080.db2.gz DEGRRNTWBWZIGM-STQMWFEESA-N -1 3 355.348 3.196 20 0 FGADHM CCc1cccc(NC(=S)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000821492661 599238488 /nfs/dbraw/zinc/23/84/88/599238488.db2.gz SAOOARMODYUQAA-LBPRGKRZSA-N -1 3 352.467 3.477 20 0 FGADHM CCc1cccc(NC(=S)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000821492661 599238490 /nfs/dbraw/zinc/23/84/90/599238490.db2.gz SAOOARMODYUQAA-LBPRGKRZSA-N -1 3 352.467 3.477 20 0 FGADHM C[C@H](NC(=O)Nc1ccc(F)c(F)c1F)c1cccc(-c2nnn[n-]2)c1 ZINC000820380459 599243055 /nfs/dbraw/zinc/24/30/55/599243055.db2.gz UCDPBPJLDFXSFH-QMMMGPOBSA-N -1 3 362.315 3.167 20 0 FGADHM C[C@H](NC(=O)Nc1ccc(F)c(F)c1F)c1cccc(-c2nn[n-]n2)c1 ZINC000820380459 599243056 /nfs/dbraw/zinc/24/30/56/599243056.db2.gz UCDPBPJLDFXSFH-QMMMGPOBSA-N -1 3 362.315 3.167 20 0 FGADHM CSc1ccccc1NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000821989295 599243604 /nfs/dbraw/zinc/24/36/04/599243604.db2.gz JMXIJDLKMMTDOH-UHFFFAOYSA-N -1 3 358.402 3.049 20 0 FGADHM CSc1ccccc1NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000821989295 599243607 /nfs/dbraw/zinc/24/36/07/599243607.db2.gz JMXIJDLKMMTDOH-UHFFFAOYSA-N -1 3 358.402 3.049 20 0 FGADHM CSc1ccccc1NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821983067 599243667 /nfs/dbraw/zinc/24/36/67/599243667.db2.gz DBIGBUXZDUIDEI-NSHDSACASA-N -1 3 354.439 3.471 20 0 FGADHM CSc1ccccc1NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821983067 599243669 /nfs/dbraw/zinc/24/36/69/599243669.db2.gz DBIGBUXZDUIDEI-NSHDSACASA-N -1 3 354.439 3.471 20 0 FGADHM O=C(/C=C\C1CCCCC1)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000737796168 599246807 /nfs/dbraw/zinc/24/68/07/599246807.db2.gz MUXLQUFLSGZEAB-JYRVWZFOSA-N -1 3 351.454 3.494 20 0 FGADHM O=C(/C=C\C1CCCCC1)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000737796168 599246810 /nfs/dbraw/zinc/24/68/10/599246810.db2.gz MUXLQUFLSGZEAB-JYRVWZFOSA-N -1 3 351.454 3.494 20 0 FGADHM COc1cc(Cl)ccc1CNC(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821717772 607280314 /nfs/dbraw/zinc/28/03/14/607280314.db2.gz YAIGDHZMPGXVAF-UHFFFAOYSA-N -1 3 372.816 3.159 20 0 FGADHM COc1cc(Cl)ccc1CNC(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821717772 607280315 /nfs/dbraw/zinc/28/03/15/607280315.db2.gz YAIGDHZMPGXVAF-UHFFFAOYSA-N -1 3 372.816 3.159 20 0 FGADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)N1CC[C@H]1c1ccc(Cl)cc1 ZINC000737960444 599252456 /nfs/dbraw/zinc/25/24/56/599252456.db2.gz HFNXPIVDRBUNLZ-INIZCTEOSA-N -1 3 353.813 3.036 20 0 FGADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)N1CC[C@H]1c1ccc(Cl)cc1 ZINC000737960444 599252459 /nfs/dbraw/zinc/25/24/59/599252459.db2.gz HFNXPIVDRBUNLZ-INIZCTEOSA-N -1 3 353.813 3.036 20 0 FGADHM Cc1c(NC(=O)NCc2ccc(OC(F)F)cc2)cccc1-c1nnn[n-]1 ZINC000822105779 607281966 /nfs/dbraw/zinc/28/19/66/607281966.db2.gz XETNEVIHEQMLKC-UHFFFAOYSA-N -1 3 374.351 3.098 20 0 FGADHM Cc1c(NC(=O)NCc2ccc(OC(F)F)cc2)cccc1-c1nn[n-]n1 ZINC000822105779 607281967 /nfs/dbraw/zinc/28/19/67/607281967.db2.gz XETNEVIHEQMLKC-UHFFFAOYSA-N -1 3 374.351 3.098 20 0 FGADHM Cc1c(NC(=O)N[C@H](C)CCc2ccc(O)cc2)cccc1-c1nnn[n-]1 ZINC000822091121 607284161 /nfs/dbraw/zinc/28/41/61/607284161.db2.gz OKQQPSASOLGLHM-GFCCVEGCSA-N -1 3 366.425 3.024 20 0 FGADHM Cc1c(NC(=O)N[C@H](C)CCc2ccc(O)cc2)cccc1-c1nn[n-]n1 ZINC000822091121 607284162 /nfs/dbraw/zinc/28/41/62/607284162.db2.gz OKQQPSASOLGLHM-GFCCVEGCSA-N -1 3 366.425 3.024 20 0 FGADHM Cc1ccccc1CNc1c(-c2nnn[n-]2)cnc2ccc(Cl)cc21 ZINC000737427282 599257291 /nfs/dbraw/zinc/25/72/91/599257291.db2.gz CDXPYXGAYHHJQG-UHFFFAOYSA-N -1 3 350.813 3.411 20 0 FGADHM Cc1ccccc1CNc1c(-c2nn[n-]n2)cnc2ccc(Cl)cc21 ZINC000737427282 599257293 /nfs/dbraw/zinc/25/72/93/599257293.db2.gz CDXPYXGAYHHJQG-UHFFFAOYSA-N -1 3 350.813 3.411 20 0 FGADHM COc1ccc(C)cc1[C@@H](C)NC(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821782869 607285608 /nfs/dbraw/zinc/28/56/08/607285608.db2.gz QKRRMMDPCAEXNH-CYBMUJFWSA-N -1 3 366.425 3.375 20 0 FGADHM COc1ccc(C)cc1[C@@H](C)NC(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821782869 607285609 /nfs/dbraw/zinc/28/56/09/607285609.db2.gz QKRRMMDPCAEXNH-CYBMUJFWSA-N -1 3 366.425 3.375 20 0 FGADHM CC[C@@H](NC(=O)Nc1cccc(-c2nnn[n-]2)c1C)c1nc(C)cs1 ZINC000820920763 607292114 /nfs/dbraw/zinc/29/21/14/607292114.db2.gz SLCGRBQZRURQDA-GFCCVEGCSA-N -1 3 357.443 3.213 20 0 FGADHM CC[C@@H](NC(=O)Nc1cccc(-c2nn[n-]n2)c1C)c1nc(C)cs1 ZINC000820920763 607292115 /nfs/dbraw/zinc/29/21/15/607292115.db2.gz SLCGRBQZRURQDA-GFCCVEGCSA-N -1 3 357.443 3.213 20 0 FGADHM Cc1c(NC(=O)N[C@H]2CCc3ccc(F)cc32)cccc1-c1nnn[n-]1 ZINC000822089822 607292510 /nfs/dbraw/zinc/29/25/10/607292510.db2.gz HCYYAWXNXAEIFO-INIZCTEOSA-N -1 3 352.373 3.123 20 0 FGADHM Cc1c(NC(=O)N[C@H]2CCc3ccc(F)cc32)cccc1-c1nn[n-]n1 ZINC000822089822 607292511 /nfs/dbraw/zinc/29/25/11/607292511.db2.gz HCYYAWXNXAEIFO-INIZCTEOSA-N -1 3 352.373 3.123 20 0 FGADHM Cc1ccc(OC[C@@H](C)NC(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1 ZINC000822263330 607292729 /nfs/dbraw/zinc/29/27/29/607292729.db2.gz MKOVOIZKMBHFSM-CYBMUJFWSA-N -1 3 366.425 3.073 20 0 FGADHM Cc1ccc(OC[C@@H](C)NC(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1 ZINC000822263330 607292730 /nfs/dbraw/zinc/29/27/30/607292730.db2.gz MKOVOIZKMBHFSM-CYBMUJFWSA-N -1 3 366.425 3.073 20 0 FGADHM C[C@@H](CCc1ccco1)Nc1c(-c2nnn[n-]2)cnc2c(F)ccc(F)c21 ZINC000735993532 599258758 /nfs/dbraw/zinc/25/87/58/599258758.db2.gz TXTOLHOZIJTJGJ-JTQLQIEISA-N -1 3 370.363 3.141 20 0 FGADHM C[C@@H](CCc1ccco1)Nc1c(-c2nn[n-]n2)cnc2c(F)ccc(F)c21 ZINC000735993532 599258760 /nfs/dbraw/zinc/25/87/60/599258760.db2.gz TXTOLHOZIJTJGJ-JTQLQIEISA-N -1 3 370.363 3.141 20 0 FGADHM CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000820938911 607293914 /nfs/dbraw/zinc/29/39/14/607293914.db2.gz ONATWMSUOHYLEQ-QGZVFWFLSA-N -1 3 351.410 3.280 20 0 FGADHM CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000820938911 607293915 /nfs/dbraw/zinc/29/39/15/607293915.db2.gz ONATWMSUOHYLEQ-QGZVFWFLSA-N -1 3 351.410 3.280 20 0 FGADHM CSc1ccc(O[C@@H](C)C(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1 ZINC000821984826 607294783 /nfs/dbraw/zinc/29/47/83/607294783.db2.gz UNPWMWNGLXOFTL-LBPRGKRZSA-N -1 3 369.450 3.303 20 0 FGADHM CSc1ccc(O[C@@H](C)C(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1 ZINC000821984826 607294784 /nfs/dbraw/zinc/29/47/84/607294784.db2.gz UNPWMWNGLXOFTL-LBPRGKRZSA-N -1 3 369.450 3.303 20 0 FGADHM CN(CCOc1ccccc1F)c1c(-c2nnn[n-]2)cnc2ccccc21 ZINC000736804784 599261039 /nfs/dbraw/zinc/26/10/39/599261039.db2.gz VYDOQVXAWAMKKN-UHFFFAOYSA-N -1 3 364.384 3.069 20 0 FGADHM CN(CCOc1ccccc1F)c1c(-c2nn[n-]n2)cnc2ccccc21 ZINC000736804784 599261041 /nfs/dbraw/zinc/26/10/41/599261041.db2.gz VYDOQVXAWAMKKN-UHFFFAOYSA-N -1 3 364.384 3.069 20 0 FGADHM COc1ccc(CNc2ccc3nc(C)sc3c2)cc1-c1nnn[n-]1 ZINC000821821260 607308038 /nfs/dbraw/zinc/30/80/38/607308038.db2.gz CONJQXKTLLZJNI-UHFFFAOYSA-N -1 3 352.423 3.406 20 0 FGADHM COc1ccc(CNc2ccc3nc(C)sc3c2)cc1-c1nn[n-]n1 ZINC000821821260 607308039 /nfs/dbraw/zinc/30/80/39/607308039.db2.gz CONJQXKTLLZJNI-UHFFFAOYSA-N -1 3 352.423 3.406 20 0 FGADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2ccn(C(CC)CC)n2)s1 ZINC000821465811 607311612 /nfs/dbraw/zinc/31/16/12/607311612.db2.gz QGISGSWCDJAVRD-UHFFFAOYSA-N -1 3 359.459 3.301 20 0 FGADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2ccn(C(CC)CC)n2)s1 ZINC000821465811 607311613 /nfs/dbraw/zinc/31/16/13/607311613.db2.gz QGISGSWCDJAVRD-UHFFFAOYSA-N -1 3 359.459 3.301 20 0 FGADHM COc1ccc(CNc2ccc(OC)c3ncccc23)cc1-c1nnn[n-]1 ZINC000821821464 607313386 /nfs/dbraw/zinc/31/33/86/607313386.db2.gz HAXARRXENVEPFT-UHFFFAOYSA-N -1 3 362.393 3.044 20 0 FGADHM COc1ccc(CNc2ccc(OC)c3ncccc23)cc1-c1nn[n-]n1 ZINC000821821464 607313387 /nfs/dbraw/zinc/31/33/87/607313387.db2.gz HAXARRXENVEPFT-UHFFFAOYSA-N -1 3 362.393 3.044 20 0 FGADHM CN(Cc1ccc(F)c(F)c1)c1c(-c2nnn[n-]2)cnc2ccccc21 ZINC000736816936 599267578 /nfs/dbraw/zinc/26/75/78/599267578.db2.gz PWOINJCJTYKFSG-UHFFFAOYSA-N -1 3 352.348 3.330 20 0 FGADHM CN(Cc1ccc(F)c(F)c1)c1c(-c2nn[n-]n2)cnc2ccccc21 ZINC000736816936 599267579 /nfs/dbraw/zinc/26/75/79/599267579.db2.gz PWOINJCJTYKFSG-UHFFFAOYSA-N -1 3 352.348 3.330 20 0 FGADHM C[C@H](NC(=O)Nc1ccc2c(c1)CCCO2)c1cccc(-c2nnn[n-]2)c1 ZINC000820379802 599273352 /nfs/dbraw/zinc/27/33/52/599273352.db2.gz HLDOIXAULGJOME-LBPRGKRZSA-N -1 3 364.409 3.074 20 0 FGADHM C[C@H](NC(=O)Nc1ccc2c(c1)CCCO2)c1cccc(-c2nn[n-]n2)c1 ZINC000820379802 599273355 /nfs/dbraw/zinc/27/33/55/599273355.db2.gz HLDOIXAULGJOME-LBPRGKRZSA-N -1 3 364.409 3.074 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)C=Cc1ccsc1 ZINC000736488301 599275156 /nfs/dbraw/zinc/27/51/56/599275156.db2.gz NXXBQYBUGJOLDZ-UTCJRWHESA-N -1 3 354.439 3.402 20 0 FGADHM CC(C)(Cc1ccccc1)C(=O)OCCOc1cccc(-c2nnn[n-]2)c1 ZINC000735671325 599277635 /nfs/dbraw/zinc/27/76/35/599277635.db2.gz UAPCNQSQHKDPPA-UHFFFAOYSA-N -1 3 366.421 3.058 20 0 FGADHM CC(C)(Cc1ccccc1)C(=O)OCCOc1cccc(-c2nn[n-]n2)c1 ZINC000735671325 599277637 /nfs/dbraw/zinc/27/76/37/599277637.db2.gz UAPCNQSQHKDPPA-UHFFFAOYSA-N -1 3 366.421 3.058 20 0 FGADHM C[C@H](CNC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)Sc1ccccc1 ZINC000820270078 599278610 /nfs/dbraw/zinc/27/86/10/599278610.db2.gz URFUORTUHDEEJO-LLVKDONJSA-N -1 3 372.429 3.308 20 0 FGADHM C[C@H](CNC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)Sc1ccccc1 ZINC000820270078 599278612 /nfs/dbraw/zinc/27/86/12/599278612.db2.gz URFUORTUHDEEJO-LLVKDONJSA-N -1 3 372.429 3.308 20 0 FGADHM O=C(Oc1cc(F)ccc1Br)c1cc(-c2nnn[n-]2)cs1 ZINC000823444117 607320814 /nfs/dbraw/zinc/32/08/14/607320814.db2.gz IYVRTWWIQKEZRV-UHFFFAOYSA-N -1 3 369.175 3.049 20 0 FGADHM O=C(Oc1cc(F)ccc1Br)c1cc(-c2nn[n-]n2)cs1 ZINC000823444117 607320815 /nfs/dbraw/zinc/32/08/15/607320815.db2.gz IYVRTWWIQKEZRV-UHFFFAOYSA-N -1 3 369.175 3.049 20 0 FGADHM O=C(NCCCC1CC1)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000823187096 599289924 /nfs/dbraw/zinc/28/99/24/599289924.db2.gz AXZSAVGNUPOJHU-UHFFFAOYSA-N -1 3 354.336 3.197 20 0 FGADHM O=C(NCCCC1CC1)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823187096 599289926 /nfs/dbraw/zinc/28/99/26/599289926.db2.gz AXZSAVGNUPOJHU-UHFFFAOYSA-N -1 3 354.336 3.197 20 0 FGADHM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)cn1)c1cc(Cl)ccc1Cl ZINC000824723328 607779465 /nfs/dbraw/zinc/77/94/65/607779465.db2.gz PUUZEGUOCAUINU-MRVPVSSYSA-N -1 3 364.192 3.487 20 0 FGADHM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)cn1)c1cc(Cl)ccc1Cl ZINC000824723328 607779466 /nfs/dbraw/zinc/77/94/66/607779466.db2.gz PUUZEGUOCAUINU-MRVPVSSYSA-N -1 3 364.192 3.487 20 0 FGADHM CCOc1cc(CN2CCC(C(=O)[O-])CC2)ccc1OCC(F)(F)F ZINC000820383270 598119382 /nfs/dbraw/zinc/11/93/82/598119382.db2.gz SSXBHYALPHUXKV-UHFFFAOYSA-N -1 3 361.360 3.323 20 0 FGADHM CC[C@H]1Oc2cc([C@H](C)NCc3ccc(C(=O)[O-])cc3)ccc2NC1=O ZINC000263376293 598180335 /nfs/dbraw/zinc/18/03/35/598180335.db2.gz AQBFPBGSRBUWAF-YVEFUNNKSA-N -1 3 354.406 3.345 20 0 FGADHM Cn1ccnc1[C@@H](Nc1ccc(-c2nn[n-]n2)cc1F)c1ccc(F)cc1 ZINC000737616956 598236242 /nfs/dbraw/zinc/23/62/42/598236242.db2.gz XIQFGHSEZOQQEP-INIZCTEOSA-N -1 3 367.363 3.080 20 0 FGADHM CC[C@H](C)[C@@H](C)N(C(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000736333780 598240929 /nfs/dbraw/zinc/24/09/29/598240929.db2.gz VCDOLQBYZILXCJ-MJBXVCDLSA-N -1 3 357.458 3.060 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C[C@H](C)n1cccc1 ZINC000736479982 598257085 /nfs/dbraw/zinc/25/70/85/598257085.db2.gz ORFZXISYKGRSQK-HNNXBMFYSA-N -1 3 352.442 3.058 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C[C@H](C)n1cccc1 ZINC000736479982 598257087 /nfs/dbraw/zinc/25/70/87/598257087.db2.gz ORFZXISYKGRSQK-HNNXBMFYSA-N -1 3 352.442 3.058 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NC1(c2ccc(F)cc2)CC1 ZINC000737294335 598265639 /nfs/dbraw/zinc/26/56/39/598265639.db2.gz LRVQMYNRQSDUGE-UHFFFAOYSA-N -1 3 352.373 3.125 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NC1(c2ccc(F)cc2)CC1 ZINC000737294335 598265640 /nfs/dbraw/zinc/26/56/40/598265640.db2.gz LRVQMYNRQSDUGE-UHFFFAOYSA-N -1 3 352.373 3.125 20 0 FGADHM Cc1ccn2cc(CNc3ccc(C(F)(F)F)c(-c4nnn[n-]4)c3)nc2c1 ZINC000822374191 607346676 /nfs/dbraw/zinc/34/66/76/607346676.db2.gz KXTWKUYAUBTUTB-UHFFFAOYSA-N -1 3 373.342 3.454 20 0 FGADHM Cc1ccn2cc(CNc3ccc(C(F)(F)F)c(-c4nn[n-]n4)c3)nc2c1 ZINC000822374191 607346678 /nfs/dbraw/zinc/34/66/78/607346678.db2.gz KXTWKUYAUBTUTB-UHFFFAOYSA-N -1 3 373.342 3.454 20 0 FGADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCc1ccc2ccccc2c1 ZINC000736819234 598271048 /nfs/dbraw/zinc/27/10/48/598271048.db2.gz BIVKHCHMFFFKCL-UHFFFAOYSA-N -1 3 372.432 3.362 20 0 FGADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCc1ccc2ccccc2c1 ZINC000736819234 598271049 /nfs/dbraw/zinc/27/10/49/598271049.db2.gz BIVKHCHMFFFKCL-UHFFFAOYSA-N -1 3 372.432 3.362 20 0 FGADHM O=C(OCCOc1ccccc1-c1nnn[n-]1)c1cccc(C(F)F)c1 ZINC000738222966 598289689 /nfs/dbraw/zinc/28/96/89/598289689.db2.gz QTHCRQUWWPJTSF-UHFFFAOYSA-N -1 3 360.320 3.040 20 0 FGADHM O=C(OCCOc1ccccc1-c1nn[n-]n1)c1cccc(C(F)F)c1 ZINC000738222966 598289690 /nfs/dbraw/zinc/28/96/90/598289690.db2.gz QTHCRQUWWPJTSF-UHFFFAOYSA-N -1 3 360.320 3.040 20 0 FGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1)c1ccccc1OCC1CC1 ZINC000738233210 598290278 /nfs/dbraw/zinc/29/02/78/598290278.db2.gz RKQUDYGYELSHDQ-UHFFFAOYSA-N -1 3 350.378 3.013 20 0 FGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1)c1ccccc1OCC1CC1 ZINC000738233210 598290280 /nfs/dbraw/zinc/29/02/80/598290280.db2.gz RKQUDYGYELSHDQ-UHFFFAOYSA-N -1 3 350.378 3.013 20 0 FGADHM O=C(c1cccc(-c2nnn[n-]2)c1)N1CCc2c(ccc(Cl)c2Cl)C1 ZINC000738267645 598297578 /nfs/dbraw/zinc/29/75/78/598297578.db2.gz LGUMKQYZCCSCOW-UHFFFAOYSA-N -1 3 374.231 3.372 20 0 FGADHM O=C(c1cccc(-c2nn[n-]n2)c1)N1CCc2c(ccc(Cl)c2Cl)C1 ZINC000738267645 598297579 /nfs/dbraw/zinc/29/75/79/598297579.db2.gz LGUMKQYZCCSCOW-UHFFFAOYSA-N -1 3 374.231 3.372 20 0 FGADHM C[C@H](OC(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1cnc2ccccc2c1 ZINC000736155029 598306468 /nfs/dbraw/zinc/30/64/68/598306468.db2.gz FWXLFLULDHRCSS-ZDUSSCGKSA-N -1 3 359.389 3.262 20 0 FGADHM C[C@H](OC(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1cnc2ccccc2c1 ZINC000736155029 598306469 /nfs/dbraw/zinc/30/64/69/598306469.db2.gz FWXLFLULDHRCSS-ZDUSSCGKSA-N -1 3 359.389 3.262 20 0 FGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)c1ccc(Cl)c(Cl)c1 ZINC000738102036 598306928 /nfs/dbraw/zinc/30/69/28/598306928.db2.gz LMCICMMBKZYZOE-UHFFFAOYSA-N -1 3 366.183 3.243 20 0 FGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)c1ccc(Cl)c(Cl)c1 ZINC000738102036 598306930 /nfs/dbraw/zinc/30/69/30/598306930.db2.gz LMCICMMBKZYZOE-UHFFFAOYSA-N -1 3 366.183 3.243 20 0 FGADHM CC(C)c1ccc(OCC(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000735929337 598309492 /nfs/dbraw/zinc/30/94/92/598309492.db2.gz WVWJEAJNAYLKAW-UHFFFAOYSA-N -1 3 369.400 3.171 20 0 FGADHM CC(C)c1ccc(OCC(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000735929337 598309494 /nfs/dbraw/zinc/30/94/94/598309494.db2.gz WVWJEAJNAYLKAW-UHFFFAOYSA-N -1 3 369.400 3.171 20 0 FGADHM Fc1cc(-c2nnn[n-]2)ccc1CNCc1nc(-c2ccccc2)cs1 ZINC000737639876 598315048 /nfs/dbraw/zinc/31/50/48/598315048.db2.gz UKBGVWHFNVPRMC-UHFFFAOYSA-N -1 3 366.425 3.419 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1CNCc1nc(-c2ccccc2)cs1 ZINC000737639876 598315049 /nfs/dbraw/zinc/31/50/49/598315049.db2.gz UKBGVWHFNVPRMC-UHFFFAOYSA-N -1 3 366.425 3.419 20 0 FGADHM CN(C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C1CCCCC1 ZINC000736740820 598315837 /nfs/dbraw/zinc/31/58/37/598315837.db2.gz GERBLAGXBRLBCP-UHFFFAOYSA-N -1 3 350.879 3.481 20 0 FGADHM CN(C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C1CCCCC1 ZINC000736740820 598315839 /nfs/dbraw/zinc/31/58/39/598315839.db2.gz GERBLAGXBRLBCP-UHFFFAOYSA-N -1 3 350.879 3.481 20 0 FGADHM CN(Cc1cccc(O)c1)C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736828637 598320815 /nfs/dbraw/zinc/32/08/15/598320815.db2.gz PWEWEVBRGAIBSG-UHFFFAOYSA-N -1 3 374.857 3.055 20 0 FGADHM CN(Cc1cccc(O)c1)C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736828637 598320816 /nfs/dbraw/zinc/32/08/16/598320816.db2.gz PWEWEVBRGAIBSG-UHFFFAOYSA-N -1 3 374.857 3.055 20 0 FGADHM C[C@@H](NC(=S)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)c1cccs1 ZINC000736125215 598322204 /nfs/dbraw/zinc/32/22/04/598322204.db2.gz IZTHPDDGPDVNAQ-WDEREUQCSA-N -1 3 358.496 3.215 20 0 FGADHM C[C@@H](NC(=S)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)c1cccs1 ZINC000736125215 598322206 /nfs/dbraw/zinc/32/22/06/598322206.db2.gz IZTHPDDGPDVNAQ-WDEREUQCSA-N -1 3 358.496 3.215 20 0 FGADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N(C)c1ccccc1F ZINC000735735318 598328237 /nfs/dbraw/zinc/32/82/37/598328237.db2.gz RODIMNWWDORTET-KRWDZBQOSA-N -1 3 369.400 3.072 20 0 FGADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N(C)c1ccccc1F ZINC000735735318 598328238 /nfs/dbraw/zinc/32/82/38/598328238.db2.gz RODIMNWWDORTET-KRWDZBQOSA-N -1 3 369.400 3.072 20 0 FGADHM C[C@H](NC(=O)Nc1cccc(-c2cc[nH]n2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736115370 598332519 /nfs/dbraw/zinc/33/25/19/598332519.db2.gz HKOXFGHNTPZXTN-LBPRGKRZSA-N -1 3 374.408 3.140 20 0 FGADHM C[C@H](NC(=O)Nc1cccc(-c2cc[nH]n2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736115370 598332521 /nfs/dbraw/zinc/33/25/21/598332521.db2.gz HKOXFGHNTPZXTN-LBPRGKRZSA-N -1 3 374.408 3.140 20 0 FGADHM CN(C(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1)c1ncccc1F ZINC000821574373 607354166 /nfs/dbraw/zinc/35/41/66/607354166.db2.gz DHLCFQWTSMBORU-UHFFFAOYSA-N -1 3 374.379 3.344 20 0 FGADHM CN(C(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1)c1ncccc1F ZINC000821574373 607354168 /nfs/dbraw/zinc/35/41/68/607354168.db2.gz DHLCFQWTSMBORU-UHFFFAOYSA-N -1 3 374.379 3.344 20 0 FGADHM CC1(c2ccccc2)CC(NC(=S)Nc2ccccc2-c2nnn[n-]2)C1 ZINC000736222978 598358685 /nfs/dbraw/zinc/35/86/85/598358685.db2.gz LJOXSCPQFORYAV-UHFFFAOYSA-N -1 3 364.478 3.273 20 0 FGADHM CC1(c2ccccc2)CC(NC(=S)Nc2ccccc2-c2nn[n-]n2)C1 ZINC000736222978 598358687 /nfs/dbraw/zinc/35/86/87/598358687.db2.gz LJOXSCPQFORYAV-UHFFFAOYSA-N -1 3 364.478 3.273 20 0 FGADHM CCN(Cc1ccoc1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC000736556673 598360688 /nfs/dbraw/zinc/36/06/88/598360688.db2.gz QSSJYLNKHITKSL-UHFFFAOYSA-N -1 3 370.413 3.301 20 0 FGADHM CCN(Cc1ccoc1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC000736556673 598360690 /nfs/dbraw/zinc/36/06/90/598360690.db2.gz QSSJYLNKHITKSL-UHFFFAOYSA-N -1 3 370.413 3.301 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NCCc1csc(C(C)C)n1 ZINC000737294054 598361442 /nfs/dbraw/zinc/36/14/42/598361442.db2.gz KTMKDGJHHPFZPF-UHFFFAOYSA-N -1 3 371.470 3.119 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NCCc1csc(C(C)C)n1 ZINC000737294054 598361443 /nfs/dbraw/zinc/36/14/43/598361443.db2.gz KTMKDGJHHPFZPF-UHFFFAOYSA-N -1 3 371.470 3.119 20 0 FGADHM Clc1cc(-c2nnn[n-]2)cnc1N1CCC[C@@H](Cc2ccccc2)C1 ZINC000737564592 598363139 /nfs/dbraw/zinc/36/31/39/598363139.db2.gz RJPXSECMLKPLOC-AWEZNQCLSA-N -1 3 354.845 3.374 20 0 FGADHM Clc1cc(-c2nn[n-]n2)cnc1N1CCC[C@@H](Cc2ccccc2)C1 ZINC000737564592 598363140 /nfs/dbraw/zinc/36/31/40/598363140.db2.gz RJPXSECMLKPLOC-AWEZNQCLSA-N -1 3 354.845 3.374 20 0 FGADHM Cc1cc(N2Cc3ccccc3C2)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000737271542 598363162 /nfs/dbraw/zinc/36/31/62/598363162.db2.gz LQUWFKPTEGSKNT-UHFFFAOYSA-N -1 3 367.416 3.496 20 0 FGADHM Cc1cc(N2Cc3ccccc3C2)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC000737271542 598363163 /nfs/dbraw/zinc/36/31/63/598363163.db2.gz LQUWFKPTEGSKNT-UHFFFAOYSA-N -1 3 367.416 3.496 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)Cc1csc(C(C)(C)C)n1 ZINC000737291731 598365062 /nfs/dbraw/zinc/36/50/62/598365062.db2.gz OAVNEKHQTZDELB-UHFFFAOYSA-N -1 3 356.455 3.110 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)Cc1csc(C(C)(C)C)n1 ZINC000737291731 598365064 /nfs/dbraw/zinc/36/50/64/598365064.db2.gz OAVNEKHQTZDELB-UHFFFAOYSA-N -1 3 356.455 3.110 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N1CCC[C@@H](Cc2ccccc2)C1 ZINC000738152443 598370543 /nfs/dbraw/zinc/37/05/43/598370543.db2.gz TYKZKZSVLUYHHW-INIZCTEOSA-N -1 3 362.437 3.353 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N1CCC[C@@H](Cc2ccccc2)C1 ZINC000738152443 598370545 /nfs/dbraw/zinc/37/05/45/598370545.db2.gz TYKZKZSVLUYHHW-INIZCTEOSA-N -1 3 362.437 3.353 20 0 FGADHM COc1ccc(NC(=S)N(C)c2cccc(-c3nnn[n-]3)c2)cc1Cl ZINC000737103398 598378712 /nfs/dbraw/zinc/37/87/12/598378712.db2.gz JGSARRWQNRDCRN-UHFFFAOYSA-N -1 3 374.857 3.362 20 0 FGADHM COc1ccc(NC(=S)N(C)c2cccc(-c3nn[n-]n3)c2)cc1Cl ZINC000737103398 598378713 /nfs/dbraw/zinc/37/87/13/598378713.db2.gz JGSARRWQNRDCRN-UHFFFAOYSA-N -1 3 374.857 3.362 20 0 FGADHM COc1ccc(NC(=S)Nc2cccc(-c3nnn[n-]3)c2)cc1Cl ZINC000737106441 598378847 /nfs/dbraw/zinc/37/88/47/598378847.db2.gz SXRLRUXPEBFRHE-UHFFFAOYSA-N -1 3 360.830 3.338 20 0 FGADHM COc1ccc(NC(=S)Nc2cccc(-c3nn[n-]n3)c2)cc1Cl ZINC000737106441 598378848 /nfs/dbraw/zinc/37/88/48/598378848.db2.gz SXRLRUXPEBFRHE-UHFFFAOYSA-N -1 3 360.830 3.338 20 0 FGADHM O=C1OC(c2ccc(-c3nnn[n-]3)cc2)=NC1=Cc1ccc2ccccc2c1 ZINC000738321735 598381103 /nfs/dbraw/zinc/38/11/03/598381103.db2.gz XPVXVOAOYAZWMY-PDGQHHTCSA-N -1 3 367.368 3.364 20 0 FGADHM O=C1OC(c2ccc(-c3nn[n-]n3)cc2)=NC1=Cc1ccc2ccccc2c1 ZINC000738321735 598381105 /nfs/dbraw/zinc/38/11/05/598381105.db2.gz XPVXVOAOYAZWMY-PDGQHHTCSA-N -1 3 367.368 3.364 20 0 FGADHM CCC1CCC(N(C(=O)CNc2ccc(-c3nn[n-]n3)cc2)C2CC2)CC1 ZINC000736395120 598382749 /nfs/dbraw/zinc/38/27/49/598382749.db2.gz HMUKGOJWZYREDR-UHFFFAOYSA-N -1 3 368.485 3.238 20 0 FGADHM Clc1cc(-c2nnn[n-]2)cnc1NCc1ccnc(OC2CCCC2)c1 ZINC000737558965 598389942 /nfs/dbraw/zinc/38/99/42/598389942.db2.gz UHCXUZDSDNMQHY-UHFFFAOYSA-N -1 3 371.832 3.244 20 0 FGADHM Clc1cc(-c2nn[n-]n2)cnc1NCc1ccnc(OC2CCCC2)c1 ZINC000737558965 598389943 /nfs/dbraw/zinc/38/99/43/598389943.db2.gz UHCXUZDSDNMQHY-UHFFFAOYSA-N -1 3 371.832 3.244 20 0 FGADHM C[C@H](NC(=O)N[C@H]1CCc2ccc(F)cc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000736112539 598390874 /nfs/dbraw/zinc/39/08/74/598390874.db2.gz JCTNDKKCLKWFFU-GTNSWQLSSA-N -1 3 366.400 3.054 20 0 FGADHM C[C@H](NC(=O)N[C@H]1CCc2ccc(F)cc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000736112539 598390875 /nfs/dbraw/zinc/39/08/75/598390875.db2.gz JCTNDKKCLKWFFU-GTNSWQLSSA-N -1 3 366.400 3.054 20 0 FGADHM COc1cccc([C@H]2C[C@@H]2C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)c1 ZINC000737131200 598396058 /nfs/dbraw/zinc/39/60/58/598396058.db2.gz WKISILPVBAVROL-KGLIPLIRSA-N -1 3 369.812 3.271 20 0 FGADHM COc1cccc([C@H]2C[C@@H]2C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)c1 ZINC000737131200 598396059 /nfs/dbraw/zinc/39/60/59/598396059.db2.gz WKISILPVBAVROL-KGLIPLIRSA-N -1 3 369.812 3.271 20 0 FGADHM CO[C@H](C)c1cccc(NC(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736960124 598412753 /nfs/dbraw/zinc/41/27/53/598412753.db2.gz FGWNIZRALXHYSR-QWHCGFSZSA-N -1 3 366.425 3.457 20 0 FGADHM CO[C@H](C)c1cccc(NC(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736960124 598412754 /nfs/dbraw/zinc/41/27/54/598412754.db2.gz FGWNIZRALXHYSR-QWHCGFSZSA-N -1 3 366.425 3.457 20 0 FGADHM Cc1ccccc1CCNC(=O)[C@@H](C)Sc1ccc(-c2nnn[n-]2)cc1 ZINC000737425894 598417444 /nfs/dbraw/zinc/41/74/44/598417444.db2.gz GGCHTLCNBJZCOT-CQSZACIVSA-N -1 3 367.478 3.015 20 0 FGADHM Cc1ccccc1CCNC(=O)[C@@H](C)Sc1ccc(-c2nn[n-]n2)cc1 ZINC000737425894 598417446 /nfs/dbraw/zinc/41/74/46/598417446.db2.gz GGCHTLCNBJZCOT-CQSZACIVSA-N -1 3 367.478 3.015 20 0 FGADHM CN(CCOc1cccc(-c2nn[n-]n2)c1)Cc1ccc(F)cc1Cl ZINC000736802442 598417464 /nfs/dbraw/zinc/41/74/64/598417464.db2.gz SDUMTWRVPBZBCN-UHFFFAOYSA-N -1 3 361.808 3.170 20 0 FGADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@@H](C)c1ccccc1 ZINC000735734257 598420955 /nfs/dbraw/zinc/42/09/55/598420955.db2.gz GDDZDHOECNNNKK-KBXCAEBGSA-N -1 3 365.437 3.148 20 0 FGADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@@H](C)c1ccccc1 ZINC000735734257 598420957 /nfs/dbraw/zinc/42/09/57/598420957.db2.gz GDDZDHOECNNNKK-KBXCAEBGSA-N -1 3 365.437 3.148 20 0 FGADHM O=C(Oc1ccc(OCc2ccccc2)cc1)c1ccc(-c2nnn[n-]2)cn1 ZINC000738248236 598436231 /nfs/dbraw/zinc/43/62/31/598436231.db2.gz XFIJAMOPSXMDMG-UHFFFAOYSA-N -1 3 373.372 3.060 20 0 FGADHM O=C(Oc1ccc(OCc2ccccc2)cc1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738248236 598436232 /nfs/dbraw/zinc/43/62/32/598436232.db2.gz XFIJAMOPSXMDMG-UHFFFAOYSA-N -1 3 373.372 3.060 20 0 FGADHM CC(C)(C)C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)cn1)c1ccc(F)cc1 ZINC000735594485 598444990 /nfs/dbraw/zinc/44/49/90/598444990.db2.gz SBONYCGTXRNFBU-MRXNPFEDSA-N -1 3 368.416 3.308 20 0 FGADHM CC(C)(C)C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)cn1)c1ccc(F)cc1 ZINC000735594485 598444991 /nfs/dbraw/zinc/44/49/91/598444991.db2.gz SBONYCGTXRNFBU-MRXNPFEDSA-N -1 3 368.416 3.308 20 0 FGADHM CCN(C(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1)[C@H]1CCCC[C@@H]1C ZINC000736503468 598445209 /nfs/dbraw/zinc/44/52/09/598445209.db2.gz XDYRCVGMBWGELN-DZKIICNBSA-N -1 3 357.458 3.061 20 0 FGADHM CCN(C(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1)[C@H]1CCCC[C@@H]1C ZINC000736503468 598445211 /nfs/dbraw/zinc/44/52/11/598445211.db2.gz XDYRCVGMBWGELN-DZKIICNBSA-N -1 3 357.458 3.061 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H](C)c1ccc(OC)cc1 ZINC000736634310 598448288 /nfs/dbraw/zinc/44/82/88/598448288.db2.gz GJGQQNMXOAZBRR-LBPRGKRZSA-N -1 3 367.409 3.016 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H](C)c1ccc(OC)cc1 ZINC000736634310 598448289 /nfs/dbraw/zinc/44/82/89/598448289.db2.gz GJGQQNMXOAZBRR-LBPRGKRZSA-N -1 3 367.409 3.016 20 0 FGADHM O=C(Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)C1=COCCC1 ZINC000738185200 598455098 /nfs/dbraw/zinc/45/50/98/598455098.db2.gz UIFGZTYMFUTBIQ-UHFFFAOYSA-N -1 3 363.377 3.292 20 0 FGADHM O=C(Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)C1=COCCC1 ZINC000738185200 598455099 /nfs/dbraw/zinc/45/50/99/598455099.db2.gz UIFGZTYMFUTBIQ-UHFFFAOYSA-N -1 3 363.377 3.292 20 0 FGADHM C[C@H](Oc1ccccc1F)C(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000736191019 598486518 /nfs/dbraw/zinc/48/65/18/598486518.db2.gz VGVWROUYZVQJHG-RYUDHWBXSA-N -1 3 356.357 3.078 20 0 FGADHM C[C@H](Oc1ccccc1F)C(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000736191019 598486520 /nfs/dbraw/zinc/48/65/20/598486520.db2.gz VGVWROUYZVQJHG-RYUDHWBXSA-N -1 3 356.357 3.078 20 0 FGADHM C[C@H](OC(=O)c1cccc(OC(F)F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000736162067 598486619 /nfs/dbraw/zinc/48/66/19/598486619.db2.gz FZPZWSIWUFYKAN-JTQLQIEISA-N -1 3 360.320 3.386 20 0 FGADHM C[C@H](OC(=O)c1cccc(OC(F)F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000736162067 598486621 /nfs/dbraw/zinc/48/66/21/598486621.db2.gz FZPZWSIWUFYKAN-JTQLQIEISA-N -1 3 360.320 3.386 20 0 FGADHM Cc1cccc(OCCC(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000737400721 598486971 /nfs/dbraw/zinc/48/69/71/598486971.db2.gz GBBMJUNMBZYYSX-AWEZNQCLSA-N -1 3 352.394 3.248 20 0 FGADHM Cc1cccc(OCCC(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737400721 598486973 /nfs/dbraw/zinc/48/69/73/598486973.db2.gz GBBMJUNMBZYYSX-AWEZNQCLSA-N -1 3 352.394 3.248 20 0 FGADHM Cc1nc(CN(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)nc2ccccc12 ZINC000737470821 598487074 /nfs/dbraw/zinc/48/70/74/598487074.db2.gz AGHUHBHFLCLACF-UHFFFAOYSA-N -1 3 371.448 3.283 20 0 FGADHM Cc1nc(CN(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)nc2ccccc12 ZINC000737470821 598487076 /nfs/dbraw/zinc/48/70/76/598487076.db2.gz AGHUHBHFLCLACF-UHFFFAOYSA-N -1 3 371.448 3.283 20 0 FGADHM Cc1ccc2oc(C(=O)Nc3cc(-c4nnn[n-]4)cn3C(C)(C)C)cc2n1 ZINC000737373451 598491126 /nfs/dbraw/zinc/49/11/26/598491126.db2.gz HNFJRYIDZOMWKZ-UHFFFAOYSA-N -1 3 365.397 3.125 20 0 FGADHM Cc1ccc2oc(C(=O)Nc3cc(-c4nn[n-]n4)cn3C(C)(C)C)cc2n1 ZINC000737373451 598491128 /nfs/dbraw/zinc/49/11/28/598491128.db2.gz HNFJRYIDZOMWKZ-UHFFFAOYSA-N -1 3 365.397 3.125 20 0 FGADHM C[C@@H](OC(=O)COc1ccc2c(c1)CCC2)c1cccc(-c2nnn[n-]2)c1 ZINC000736154708 598491778 /nfs/dbraw/zinc/49/17/78/598491778.db2.gz ANZBFLSXDDMUEE-CYBMUJFWSA-N -1 3 364.405 3.039 20 0 FGADHM C[C@@H](OC(=O)COc1ccc2c(c1)CCC2)c1cccc(-c2nn[n-]n2)c1 ZINC000736154708 598491779 /nfs/dbraw/zinc/49/17/79/598491779.db2.gz ANZBFLSXDDMUEE-CYBMUJFWSA-N -1 3 364.405 3.039 20 0 FGADHM Clc1cc(NCCc2cnn(-c3ccccc3)c2)ccc1-c1nnn[n-]1 ZINC000737562946 598508371 /nfs/dbraw/zinc/50/83/71/598508371.db2.gz BBCXENACCJXUGW-UHFFFAOYSA-N -1 3 365.828 3.360 20 0 FGADHM Clc1cc(NCCc2cnn(-c3ccccc3)c2)ccc1-c1nn[n-]n1 ZINC000737562946 598508372 /nfs/dbraw/zinc/50/83/72/598508372.db2.gz BBCXENACCJXUGW-UHFFFAOYSA-N -1 3 365.828 3.360 20 0 FGADHM CCc1c(C)sc(NC(=O)[C@H]2Cc3ccccc3S2)c1-c1nnn[n-]1 ZINC000736669802 598517029 /nfs/dbraw/zinc/51/70/29/598517029.db2.gz LGXWPIWJPZXDHP-CYBMUJFWSA-N -1 3 371.491 3.455 20 0 FGADHM CCc1c(C)sc(NC(=O)[C@H]2Cc3ccccc3S2)c1-c1nn[n-]n1 ZINC000736669802 598517030 /nfs/dbraw/zinc/51/70/30/598517030.db2.gz LGXWPIWJPZXDHP-CYBMUJFWSA-N -1 3 371.491 3.455 20 0 FGADHM CCc1c(C)sc(NC(=O)c2c(C)noc2C(C)C)c1-c1nnn[n-]1 ZINC000736676939 598517416 /nfs/dbraw/zinc/51/74/16/598517416.db2.gz WMLWRYILMRBVRW-UHFFFAOYSA-N -1 3 360.443 3.471 20 0 FGADHM CCc1c(C)sc(NC(=O)c2c(C)noc2C(C)C)c1-c1nn[n-]n1 ZINC000736676939 598517418 /nfs/dbraw/zinc/51/74/18/598517418.db2.gz WMLWRYILMRBVRW-UHFFFAOYSA-N -1 3 360.443 3.471 20 0 FGADHM CCCC[C@@H]1CCC[C@@H]1NC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000736440289 598519890 /nfs/dbraw/zinc/51/98/90/598519890.db2.gz BZFRONDMTOCOFM-FMKPAKJESA-N -1 3 357.458 3.109 20 0 FGADHM CCCC[C@@H]1CCC[C@@H]1NC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000736440289 598519891 /nfs/dbraw/zinc/51/98/91/598519891.db2.gz BZFRONDMTOCOFM-FMKPAKJESA-N -1 3 357.458 3.109 20 0 FGADHM Cc1nnc(Nc2ccc(N(C)C(C)C)c(F)c2)c(-c2nnn[n-]2)c1C ZINC000737531529 598523668 /nfs/dbraw/zinc/52/36/68/598523668.db2.gz CMIFBWGHXFWEAR-UHFFFAOYSA-N -1 3 356.409 3.001 20 0 FGADHM Cc1nnc(Nc2ccc(N(C)C(C)C)c(F)c2)c(-c2nn[n-]n2)c1C ZINC000737531529 598523670 /nfs/dbraw/zinc/52/36/70/598523670.db2.gz CMIFBWGHXFWEAR-UHFFFAOYSA-N -1 3 356.409 3.001 20 0 FGADHM CC[C@@H](Cc1ccccc1)NC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736352601 598527155 /nfs/dbraw/zinc/52/71/55/598527155.db2.gz TUYNINLCNPWXLC-KDOFPFPSSA-N -1 3 364.453 3.248 20 0 FGADHM CC[C@@H](Cc1ccccc1)NC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736352601 598527156 /nfs/dbraw/zinc/52/71/56/598527156.db2.gz TUYNINLCNPWXLC-KDOFPFPSSA-N -1 3 364.453 3.248 20 0 FGADHM Cc1ccc(C[C@H](C)NC(=O)Nc2cccc(-c3nnn[n-]3)c2)c(C)c1 ZINC000737334886 598541071 /nfs/dbraw/zinc/54/10/71/598541071.db2.gz OACZEBXTZXINHR-AWEZNQCLSA-N -1 3 350.426 3.236 20 0 FGADHM Cc1ccc(C[C@H](C)NC(=O)Nc2cccc(-c3nn[n-]n3)c2)c(C)c1 ZINC000737334886 598541072 /nfs/dbraw/zinc/54/10/72/598541072.db2.gz OACZEBXTZXINHR-AWEZNQCLSA-N -1 3 350.426 3.236 20 0 FGADHM C[C@@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)C(C)(C)c1ccccc1 ZINC000736101621 598541881 /nfs/dbraw/zinc/54/18/81/598541881.db2.gz OKCINEIHQOGYNI-SZGUKTLCSA-N -1 3 361.449 3.362 20 0 FGADHM C[C@@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)C(C)(C)c1ccccc1 ZINC000736101621 598541882 /nfs/dbraw/zinc/54/18/82/598541882.db2.gz OKCINEIHQOGYNI-SZGUKTLCSA-N -1 3 361.449 3.362 20 0 FGADHM O=C(C=Cc1cccs1)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000737804921 598547227 /nfs/dbraw/zinc/54/72/27/598547227.db2.gz FAWGCANFUYJFJE-GQCTYLIASA-N -1 3 363.349 3.182 20 0 FGADHM O=C(C=Cc1cccs1)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000737804921 598547228 /nfs/dbraw/zinc/54/72/28/598547228.db2.gz FAWGCANFUYJFJE-GQCTYLIASA-N -1 3 363.349 3.182 20 0 FGADHM CC(C)c1ccc(NC(=O)COc2ccc(-c3nnn[n-]3)c(F)c2)cc1 ZINC000735927827 598549717 /nfs/dbraw/zinc/54/97/17/598549717.db2.gz CIZQTJINEDBWCX-UHFFFAOYSA-N -1 3 355.373 3.147 20 0 FGADHM CC(C)c1ccc(NC(=O)COc2ccc(-c3nn[n-]n3)c(F)c2)cc1 ZINC000735927827 598549719 /nfs/dbraw/zinc/54/97/19/598549719.db2.gz CIZQTJINEDBWCX-UHFFFAOYSA-N -1 3 355.373 3.147 20 0 FGADHM C[C@@H](C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1)c1ccccc1F ZINC000735515088 598550807 /nfs/dbraw/zinc/55/08/07/598550807.db2.gz ZFJXXVYQHMGSCO-CYBMUJFWSA-N -1 3 365.412 3.301 20 0 FGADHM C[C@@H](C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1)c1ccccc1F ZINC000735515088 598550809 /nfs/dbraw/zinc/55/08/09/598550809.db2.gz ZFJXXVYQHMGSCO-CYBMUJFWSA-N -1 3 365.412 3.301 20 0 FGADHM Fc1cc(OCc2noc(-c3ccc(Cl)cc3)n2)ccc1-c1nnn[n-]1 ZINC000737654287 598552142 /nfs/dbraw/zinc/55/21/42/598552142.db2.gz ZCMFQMBQYNSSOM-UHFFFAOYSA-N -1 3 372.747 3.288 20 0 FGADHM Fc1cc(OCc2noc(-c3ccc(Cl)cc3)n2)ccc1-c1nn[n-]n1 ZINC000737654287 598552143 /nfs/dbraw/zinc/55/21/43/598552143.db2.gz ZCMFQMBQYNSSOM-UHFFFAOYSA-N -1 3 372.747 3.288 20 0 FGADHM S=C(Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)NC1CC1 ZINC000738409613 598552947 /nfs/dbraw/zinc/55/29/47/598552947.db2.gz UJSFSBDBFLEWBA-UHFFFAOYSA-N -1 3 352.423 3.108 20 0 FGADHM S=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)NC1CC1 ZINC000738409613 598552948 /nfs/dbraw/zinc/55/29/48/598552948.db2.gz UJSFSBDBFLEWBA-UHFFFAOYSA-N -1 3 352.423 3.108 20 0 FGADHM C[C@@H]1CCCN(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)CC1 ZINC000736267267 598558761 /nfs/dbraw/zinc/55/87/61/598558761.db2.gz RKFRFJTYJRMAAM-SNVBAGLBSA-N -1 3 366.372 3.122 20 0 FGADHM C[C@@H]1CCCN(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)CC1 ZINC000736267267 598558763 /nfs/dbraw/zinc/55/87/63/598558763.db2.gz RKFRFJTYJRMAAM-SNVBAGLBSA-N -1 3 366.372 3.122 20 0 FGADHM C[C@@H](NC(=O)NCc1cccc(-c2nnn[n-]2)c1)C(C)(C)c1ccccc1 ZINC000736120126 598561703 /nfs/dbraw/zinc/56/17/03/598561703.db2.gz XHSSTZXCWLPQJN-CQSZACIVSA-N -1 3 364.453 3.032 20 0 FGADHM C[C@@H](NC(=O)NCc1cccc(-c2nn[n-]n2)c1)C(C)(C)c1ccccc1 ZINC000736120126 598561704 /nfs/dbraw/zinc/56/17/04/598561704.db2.gz XHSSTZXCWLPQJN-CQSZACIVSA-N -1 3 364.453 3.032 20 0 FGADHM FC(F)(F)c1cc(NC[C@H]2Cc3ccccc3O2)ccc1-c1nnn[n-]1 ZINC000737633211 598573496 /nfs/dbraw/zinc/57/34/96/598573496.db2.gz PFSBEEGXGGQVPR-GFCCVEGCSA-N -1 3 361.327 3.301 20 0 FGADHM FC(F)(F)c1cc(NC[C@H]2Cc3ccccc3O2)ccc1-c1nn[n-]n1 ZINC000737633211 598573497 /nfs/dbraw/zinc/57/34/97/598573497.db2.gz PFSBEEGXGGQVPR-GFCCVEGCSA-N -1 3 361.327 3.301 20 0 FGADHM O[C@@H](CNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccc(F)cc1 ZINC000738381999 598573983 /nfs/dbraw/zinc/57/39/83/598573983.db2.gz JMLDUOUIVXJQDA-AWEZNQCLSA-N -1 3 367.306 3.170 20 0 FGADHM O[C@@H](CNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccc(F)cc1 ZINC000738381999 598573985 /nfs/dbraw/zinc/57/39/85/598573985.db2.gz JMLDUOUIVXJQDA-AWEZNQCLSA-N -1 3 367.306 3.170 20 0 FGADHM Cc1ccc(C(=O)CCC(=O)Nc2sccc2-c2nnn[n-]2)cc1C ZINC000737307170 598574789 /nfs/dbraw/zinc/57/47/89/598574789.db2.gz GCVJOVOVXFXXPP-UHFFFAOYSA-N -1 3 355.423 3.147 20 0 FGADHM Cc1ccc(C(=O)CCC(=O)Nc2sccc2-c2nn[n-]n2)cc1C ZINC000737307170 598574790 /nfs/dbraw/zinc/57/47/90/598574790.db2.gz GCVJOVOVXFXXPP-UHFFFAOYSA-N -1 3 355.423 3.147 20 0 FGADHM O=C(Nc1ccccc1-c1nn[n-]n1)c1ccc(OCC(F)(F)F)cc1 ZINC000738191985 598575510 /nfs/dbraw/zinc/57/55/10/598575510.db2.gz PCPRKWDESUBOLZ-UHFFFAOYSA-N -1 3 363.299 3.060 20 0 FGADHM O=C(Nc1ccccc1-c1nnn[n-]1)c1ccc(OCC(F)(F)F)cc1 ZINC000738191985 598575508 /nfs/dbraw/zinc/57/55/08/598575508.db2.gz PCPRKWDESUBOLZ-UHFFFAOYSA-N -1 3 363.299 3.060 20 0 FGADHM O[C@@H](CNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1cccc(F)c1 ZINC000738382564 598578684 /nfs/dbraw/zinc/57/86/84/598578684.db2.gz LQDQJDQSXWZQDD-AWEZNQCLSA-N -1 3 367.306 3.170 20 0 FGADHM O[C@@H](CNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1cccc(F)c1 ZINC000738382564 598578687 /nfs/dbraw/zinc/57/86/87/598578687.db2.gz LQDQJDQSXWZQDD-AWEZNQCLSA-N -1 3 367.306 3.170 20 0 FGADHM O=C(Cc1cc(Cl)ccc1Cl)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737953822 598584166 /nfs/dbraw/zinc/58/41/66/598584166.db2.gz CNYZGRJLEZKQLO-UHFFFAOYSA-N -1 3 366.183 3.494 20 0 FGADHM O=C(Cc1cc(Cl)ccc1Cl)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737953822 598584168 /nfs/dbraw/zinc/58/41/68/598584168.db2.gz CNYZGRJLEZKQLO-UHFFFAOYSA-N -1 3 366.183 3.494 20 0 FGADHM Cc1cc(C)cc(C2(C(=O)Nc3ccc(F)c(-c4nnn[n-]4)c3)CC2)c1 ZINC000737253405 598584952 /nfs/dbraw/zinc/58/49/52/598584952.db2.gz REEZIUUKWYSWOQ-UHFFFAOYSA-N -1 3 351.385 3.293 20 0 FGADHM Cc1cc(C)cc(C2(C(=O)Nc3ccc(F)c(-c4nn[n-]n4)c3)CC2)c1 ZINC000737253405 598584953 /nfs/dbraw/zinc/58/49/53/598584953.db2.gz REEZIUUKWYSWOQ-UHFFFAOYSA-N -1 3 351.385 3.293 20 0 FGADHM CCc1cccc2c(CC(=O)OCc3ccccc3-c3nnn[n-]3)c[nH]c21 ZINC000736694729 598598947 /nfs/dbraw/zinc/59/89/47/598598947.db2.gz AXNYBZAPQUYGKQ-UHFFFAOYSA-N -1 3 361.405 3.196 20 0 FGADHM CCc1cccc2c(CC(=O)OCc3ccccc3-c3nn[n-]n3)c[nH]c21 ZINC000736694729 598598948 /nfs/dbraw/zinc/59/89/48/598598948.db2.gz AXNYBZAPQUYGKQ-UHFFFAOYSA-N -1 3 361.405 3.196 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1cc2cc(Cl)ccc2[nH]1 ZINC000738166734 598601638 /nfs/dbraw/zinc/60/16/38/598601638.db2.gz MYIDDLXMQPNDMA-UHFFFAOYSA-N -1 3 356.748 3.393 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1cc2cc(Cl)ccc2[nH]1 ZINC000738166734 598601640 /nfs/dbraw/zinc/60/16/40/598601640.db2.gz MYIDDLXMQPNDMA-UHFFFAOYSA-N -1 3 356.748 3.393 20 0 FGADHM COc1ccccc1-c1noc([C@H](C)Oc2ccccc2-c2nnn[n-]2)n1 ZINC000737137389 598607173 /nfs/dbraw/zinc/60/71/73/598607173.db2.gz GRHXDJQSAFMDPZ-NSHDSACASA-N -1 3 364.365 3.065 20 0 FGADHM COc1ccccc1-c1noc([C@H](C)Oc2ccccc2-c2nn[n-]n2)n1 ZINC000737137389 598607175 /nfs/dbraw/zinc/60/71/75/598607175.db2.gz GRHXDJQSAFMDPZ-NSHDSACASA-N -1 3 364.365 3.065 20 0 FGADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)c1nc(-c2ccc(F)c(F)c2)no1 ZINC000736188704 598609614 /nfs/dbraw/zinc/60/96/14/598609614.db2.gz PBSNIGXENSCDDS-SECBINFHSA-N -1 3 370.319 3.335 20 0 FGADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)c1nc(-c2ccc(F)c(F)c2)no1 ZINC000736188704 598609615 /nfs/dbraw/zinc/60/96/15/598609615.db2.gz PBSNIGXENSCDDS-SECBINFHSA-N -1 3 370.319 3.335 20 0 FGADHM Clc1ccc(Cc2noc(CCc3ccc(-c4nnn[n-]4)cc3)n2)cc1 ZINC000737573809 598612663 /nfs/dbraw/zinc/61/26/63/598612663.db2.gz BZEOPBNJGFNVMH-UHFFFAOYSA-N -1 3 366.812 3.279 20 0 FGADHM Clc1ccc(Cc2noc(CCc3ccc(-c4nn[n-]n4)cc3)n2)cc1 ZINC000737573809 598612664 /nfs/dbraw/zinc/61/26/64/598612664.db2.gz BZEOPBNJGFNVMH-UHFFFAOYSA-N -1 3 366.812 3.279 20 0 FGADHM C[C@H](NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)C(C)(C)c1ccccc1 ZINC000736119370 598625603 /nfs/dbraw/zinc/62/56/03/598625603.db2.gz YCGINYJITPOFCM-LBPRGKRZSA-N -1 3 368.416 3.494 20 0 FGADHM C[C@H](NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)C(C)(C)c1ccccc1 ZINC000736119370 598625604 /nfs/dbraw/zinc/62/56/04/598625604.db2.gz YCGINYJITPOFCM-LBPRGKRZSA-N -1 3 368.416 3.494 20 0 FGADHM O=C(NCCCc1ccc(Cl)cc1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738076425 598628260 /nfs/dbraw/zinc/62/82/60/598628260.db2.gz RSSAGWLZNKBMSA-UHFFFAOYSA-N -1 3 374.807 3.414 20 0 FGADHM O=C(NCCCc1ccc(Cl)cc1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738076425 598628262 /nfs/dbraw/zinc/62/82/62/598628262.db2.gz RSSAGWLZNKBMSA-UHFFFAOYSA-N -1 3 374.807 3.414 20 0 FGADHM Clc1ccc(-c2nnn[n-]2)c(NC[C@H]2CCN(c3ccccc3)C2)c1 ZINC000737570922 598633447 /nfs/dbraw/zinc/63/34/47/598633447.db2.gz LVJRKTXWZUMWPS-CYBMUJFWSA-N -1 3 354.845 3.459 20 0 FGADHM Clc1ccc(-c2nn[n-]n2)c(NC[C@H]2CCN(c3ccccc3)C2)c1 ZINC000737570922 598633449 /nfs/dbraw/zinc/63/34/49/598633449.db2.gz LVJRKTXWZUMWPS-CYBMUJFWSA-N -1 3 354.845 3.459 20 0 FGADHM Clc1cccc(-c2nnn[n-]2)c1NCc1ccc(N2CCCC2)nc1 ZINC000737573243 598633506 /nfs/dbraw/zinc/63/35/06/598633506.db2.gz DAYLKBTVIVYZPU-UHFFFAOYSA-N -1 3 355.833 3.127 20 0 FGADHM Clc1cccc(-c2nn[n-]n2)c1NCc1ccc(N2CCCC2)nc1 ZINC000737573243 598633508 /nfs/dbraw/zinc/63/35/08/598633508.db2.gz DAYLKBTVIVYZPU-UHFFFAOYSA-N -1 3 355.833 3.127 20 0 FGADHM Cn1c(SCc2ccc(F)cc2-c2nnn[n-]2)nnc1-c1ccccc1 ZINC000737594522 598642970 /nfs/dbraw/zinc/64/29/70/598642970.db2.gz XPFXPZPZHMUNHM-UHFFFAOYSA-N -1 3 367.413 3.094 20 0 FGADHM Cn1c(SCc2ccc(F)cc2-c2nn[n-]n2)nnc1-c1ccccc1 ZINC000737594522 598642972 /nfs/dbraw/zinc/64/29/72/598642972.db2.gz XPFXPZPZHMUNHM-UHFFFAOYSA-N -1 3 367.413 3.094 20 0 FGADHM COc1ccc2[nH]c(SCc3ccc(F)cc3-c3nn[n-]n3)nc2c1 ZINC000737120151 598643418 /nfs/dbraw/zinc/64/34/18/598643418.db2.gz KEMMOVKOFDHFPP-UHFFFAOYSA-N -1 3 356.386 3.183 20 0 FGADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)NC1CCCCCC1 ZINC000737833619 598645420 /nfs/dbraw/zinc/64/54/20/598645420.db2.gz YGGNQGNERHWIDO-UHFFFAOYSA-N -1 3 357.458 3.255 20 0 FGADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)NC1CCCCCC1 ZINC000737833619 598645422 /nfs/dbraw/zinc/64/54/22/598645422.db2.gz YGGNQGNERHWIDO-UHFFFAOYSA-N -1 3 357.458 3.255 20 0 FGADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)NCC1CCCCC1 ZINC000737833120 598645644 /nfs/dbraw/zinc/64/56/44/598645644.db2.gz PCKMUMBKGYKCAZ-UHFFFAOYSA-N -1 3 357.458 3.112 20 0 FGADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)NCC1CCCCC1 ZINC000737833120 598645646 /nfs/dbraw/zinc/64/56/46/598645646.db2.gz PCKMUMBKGYKCAZ-UHFFFAOYSA-N -1 3 357.458 3.112 20 0 FGADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)N1CCc2ccccc21 ZINC000737831786 598645700 /nfs/dbraw/zinc/64/57/00/598645700.db2.gz DVUMUOQUPDVQDN-UHFFFAOYSA-N -1 3 363.421 3.005 20 0 FGADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)N1CCc2ccccc21 ZINC000737831786 598645702 /nfs/dbraw/zinc/64/57/02/598645702.db2.gz DVUMUOQUPDVQDN-UHFFFAOYSA-N -1 3 363.421 3.005 20 0 FGADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)OCc1ccc(F)cc1 ZINC000737841932 598645800 /nfs/dbraw/zinc/64/58/00/598645800.db2.gz PRRHZQNXCMKFFQ-UHFFFAOYSA-N -1 3 370.384 3.298 20 0 FGADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)OCc1ccc(F)cc1 ZINC000737841932 598645801 /nfs/dbraw/zinc/64/58/01/598645801.db2.gz PRRHZQNXCMKFFQ-UHFFFAOYSA-N -1 3 370.384 3.298 20 0 FGADHM Cc1ccc(C)c(OC(=O)CSc2ccc(-c3nnn[n-]3)cc2)c1C ZINC000737326860 598647526 /nfs/dbraw/zinc/64/75/26/598647526.db2.gz RYFMGKIDEYMKQS-UHFFFAOYSA-N -1 3 354.435 3.490 20 0 FGADHM Cc1ccc(C)c(OC(=O)CSc2ccc(-c3nn[n-]n3)cc2)c1C ZINC000737326860 598647528 /nfs/dbraw/zinc/64/75/28/598647528.db2.gz RYFMGKIDEYMKQS-UHFFFAOYSA-N -1 3 354.435 3.490 20 0 FGADHM CCCN(CC1CC1)C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736469902 598647985 /nfs/dbraw/zinc/64/79/85/598647985.db2.gz GCIKIVGJKUJSPH-UHFFFAOYSA-N -1 3 357.458 3.064 20 0 FGADHM CCCN(CC1CC1)C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736469902 598647987 /nfs/dbraw/zinc/64/79/87/598647987.db2.gz GCIKIVGJKUJSPH-UHFFFAOYSA-N -1 3 357.458 3.064 20 0 FGADHM CCN(C(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1 ZINC000736505604 598648639 /nfs/dbraw/zinc/64/86/39/598648639.db2.gz OWBRSENGILVIND-UHFFFAOYSA-N -1 3 357.414 3.151 20 0 FGADHM CCN(C(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1 ZINC000736505604 598648641 /nfs/dbraw/zinc/64/86/41/598648641.db2.gz OWBRSENGILVIND-UHFFFAOYSA-N -1 3 357.414 3.151 20 0 FGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)Nc1ccc2ccccc2n1 ZINC000737947465 598649662 /nfs/dbraw/zinc/64/96/62/598649662.db2.gz KYSZTIRZSBCYPH-UHFFFAOYSA-N -1 3 362.418 3.146 20 0 FGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)Nc1ccc2ccccc2n1 ZINC000737947465 598649664 /nfs/dbraw/zinc/64/96/64/598649664.db2.gz KYSZTIRZSBCYPH-UHFFFAOYSA-N -1 3 362.418 3.146 20 0 FGADHM Cc1ccc(N(C)C(=O)CSc2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000737347750 598655531 /nfs/dbraw/zinc/65/55/31/598655531.db2.gz QMWGZEVTLVMEPS-UHFFFAOYSA-N -1 3 353.451 3.239 20 0 FGADHM Cc1ccc(N(C)C(=O)CSc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000737347750 598655533 /nfs/dbraw/zinc/65/55/33/598655533.db2.gz QMWGZEVTLVMEPS-UHFFFAOYSA-N -1 3 353.451 3.239 20 0 FGADHM CCN(C(=O)CSc1ccc(-c2nnn[n-]2)cc1)[C@H]1CCCC[C@@H]1C ZINC000736506210 598657913 /nfs/dbraw/zinc/65/79/13/598657913.db2.gz YOJKMMIRDYKGCL-BBRMVZONSA-N -1 3 359.499 3.386 20 0 FGADHM CCN(C(=O)CSc1ccc(-c2nn[n-]n2)cc1)[C@H]1CCCC[C@@H]1C ZINC000736506210 598657915 /nfs/dbraw/zinc/65/79/15/598657915.db2.gz YOJKMMIRDYKGCL-BBRMVZONSA-N -1 3 359.499 3.386 20 0 FGADHM CC(C)[C@@H]1CCCC[C@H]1NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000735752098 598661791 /nfs/dbraw/zinc/66/17/91/598661791.db2.gz XNXPUFOIMQWQDJ-JKSUJKDBSA-N -1 3 359.499 3.290 20 0 FGADHM CC(C)[C@@H]1CCCC[C@H]1NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000735752098 598661792 /nfs/dbraw/zinc/66/17/92/598661792.db2.gz XNXPUFOIMQWQDJ-JKSUJKDBSA-N -1 3 359.499 3.290 20 0 FGADHM CSCc1c2ccccc2oc1C(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000737183365 598662813 /nfs/dbraw/zinc/66/28/13/598662813.db2.gz ZVLHJTKJVYOVMV-UHFFFAOYSA-N -1 3 366.406 3.123 20 0 FGADHM CSCc1c2ccccc2oc1C(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000737183365 598662815 /nfs/dbraw/zinc/66/28/15/598662815.db2.gz ZVLHJTKJVYOVMV-UHFFFAOYSA-N -1 3 366.406 3.123 20 0 FGADHM COc1ccc2c(c1)CCCN(c1c(F)cc(-c3nnn[n-]3)cc1F)C2 ZINC000737118219 598673309 /nfs/dbraw/zinc/67/33/09/598673309.db2.gz CIAANOWFTFVSBK-UHFFFAOYSA-N -1 3 357.364 3.106 20 0 FGADHM COc1ccc2c(c1)CCCN(c1c(F)cc(-c3nn[n-]n3)cc1F)C2 ZINC000737118219 598673310 /nfs/dbraw/zinc/67/33/10/598673310.db2.gz CIAANOWFTFVSBK-UHFFFAOYSA-N -1 3 357.364 3.106 20 0 FGADHM Fc1ccc(CN[C@@H](c2ccccc2)C(F)(F)F)c(-c2nnn[n-]2)c1 ZINC000737651387 598684502 /nfs/dbraw/zinc/68/45/02/598684502.db2.gz WRVOESPGZKHPGV-AWEZNQCLSA-N -1 3 351.307 3.399 20 0 FGADHM Fc1ccc(CN[C@@H](c2ccccc2)C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC000737651387 598684503 /nfs/dbraw/zinc/68/45/03/598684503.db2.gz WRVOESPGZKHPGV-AWEZNQCLSA-N -1 3 351.307 3.399 20 0 FGADHM CC(=O)Nc1cccc(CSCc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000735488865 598695428 /nfs/dbraw/zinc/69/54/28/598695428.db2.gz OYBGERRMXPDNPL-UHFFFAOYSA-N -1 3 357.414 3.398 20 0 FGADHM CC(=O)Nc1cccc(CSCc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000735488865 598695430 /nfs/dbraw/zinc/69/54/30/598695430.db2.gz OYBGERRMXPDNPL-UHFFFAOYSA-N -1 3 357.414 3.398 20 0 FGADHM O=C(OCc1ccccn1)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000738235125 598713029 /nfs/dbraw/zinc/71/30/29/598713029.db2.gz NSHVLEFIWAZRSV-UHFFFAOYSA-N -1 3 373.372 3.411 20 0 FGADHM O=C(OCc1ccccn1)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738235125 598713032 /nfs/dbraw/zinc/71/30/32/598713032.db2.gz NSHVLEFIWAZRSV-UHFFFAOYSA-N -1 3 373.372 3.411 20 0 FGADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)N[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000738117943 598716118 /nfs/dbraw/zinc/71/61/18/598716118.db2.gz ZOMAQQRKLPQJKK-QZTJIDSGSA-N -1 3 362.437 3.002 20 0 FGADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)N[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000738117943 598716120 /nfs/dbraw/zinc/71/61/20/598716120.db2.gz ZOMAQQRKLPQJKK-QZTJIDSGSA-N -1 3 362.437 3.002 20 0 FGADHM COc1ccccc1C(C)(C)NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737138999 598718341 /nfs/dbraw/zinc/71/83/41/598718341.db2.gz RYHOZUMONNBICI-UHFFFAOYSA-N -1 3 370.388 3.071 20 0 FGADHM COc1ccccc1C(C)(C)NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737138999 598718343 /nfs/dbraw/zinc/71/83/43/598718343.db2.gz RYHOZUMONNBICI-UHFFFAOYSA-N -1 3 370.388 3.071 20 0 FGADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)c1ccc(F)c(C)c1 ZINC000737024338 598735332 /nfs/dbraw/zinc/73/53/32/598735332.db2.gz GKFHPBJLKNBACZ-UHFFFAOYSA-N -1 3 362.748 3.195 20 0 FGADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)c1ccc(F)c(C)c1 ZINC000737024338 598735334 /nfs/dbraw/zinc/73/53/34/598735334.db2.gz GKFHPBJLKNBACZ-UHFFFAOYSA-N -1 3 362.748 3.195 20 0 FGADHM CN(C(=O)C[C@H]1CCc2ccccc2C1)c1ccc(-c2nnn[n-]2)cc1F ZINC000736731981 598741969 /nfs/dbraw/zinc/74/19/69/598741969.db2.gz IGUWCVZFBJDLMP-ZDUSSCGKSA-N -1 3 365.412 3.164 20 0 FGADHM CN(C(=O)C[C@H]1CCc2ccccc2C1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736731981 598741971 /nfs/dbraw/zinc/74/19/71/598741971.db2.gz IGUWCVZFBJDLMP-ZDUSSCGKSA-N -1 3 365.412 3.164 20 0 FGADHM Cc1ccccc1[C@@H](NC(=O)COc1ccccc1-c1nnn[n-]1)C(C)C ZINC000737419193 598754831 /nfs/dbraw/zinc/75/48/31/598754831.db2.gz DSFKMCVGCUIKDU-IBGZPJMESA-N -1 3 365.437 3.067 20 0 FGADHM Cc1ccccc1[C@@H](NC(=O)COc1ccccc1-c1nn[n-]n1)C(C)C ZINC000737419193 598754832 /nfs/dbraw/zinc/75/48/32/598754832.db2.gz DSFKMCVGCUIKDU-IBGZPJMESA-N -1 3 365.437 3.067 20 0 FGADHM c1ccc(-c2noc(C3CCN(c4ccc(-c5nn[n-]n5)cc4)CC3)n2)cc1 ZINC000738424114 598758039 /nfs/dbraw/zinc/75/80/39/598758039.db2.gz AZSUPQDXBGNDRV-UHFFFAOYSA-N -1 3 373.420 3.301 20 0 FGADHM Fc1cc(-c2nnn[n-]2)ccc1CN1CCO[C@@H](c2ccccc2Cl)C1 ZINC000737638914 598765362 /nfs/dbraw/zinc/76/53/62/598765362.db2.gz KKOOFQPTLJOUPZ-QGZVFWFLSA-N -1 3 373.819 3.233 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1CN1CCO[C@@H](c2ccccc2Cl)C1 ZINC000737638914 598765364 /nfs/dbraw/zinc/76/53/64/598765364.db2.gz KKOOFQPTLJOUPZ-QGZVFWFLSA-N -1 3 373.819 3.233 20 0 FGADHM CC(C)CCOCCNc1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21 ZINC000735818671 598771259 /nfs/dbraw/zinc/77/12/59/598771259.db2.gz AFVNPOAPGPQBDB-UHFFFAOYSA-N -1 3 362.384 3.168 20 0 FGADHM CC(C)CCOCCNc1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21 ZINC000735818671 598771261 /nfs/dbraw/zinc/77/12/61/598771261.db2.gz AFVNPOAPGPQBDB-UHFFFAOYSA-N -1 3 362.384 3.168 20 0 FGADHM Cc1ccccc1[C@@H](O)CNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000737419610 598773419 /nfs/dbraw/zinc/77/34/19/598773419.db2.gz FIPSYINSRBYGLH-HNNXBMFYSA-N -1 3 363.343 3.339 20 0 FGADHM Cc1ccccc1[C@@H](O)CNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000737419610 598773420 /nfs/dbraw/zinc/77/34/20/598773420.db2.gz FIPSYINSRBYGLH-HNNXBMFYSA-N -1 3 363.343 3.339 20 0 FGADHM CC(C)N(Cc1ccco1)C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736112084 598781330 /nfs/dbraw/zinc/78/13/30/598781330.db2.gz PKVTVTLGELUPSF-CYBMUJFWSA-N -1 3 354.414 3.141 20 0 FGADHM CC(C)N(Cc1ccco1)C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736112084 598781331 /nfs/dbraw/zinc/78/13/31/598781331.db2.gz PKVTVTLGELUPSF-CYBMUJFWSA-N -1 3 354.414 3.141 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H]1CCC[C@@H](C(C)C)C1 ZINC000737062787 598782456 /nfs/dbraw/zinc/78/24/56/598782456.db2.gz NIBLCHXIGNDWNI-TZMCWYRMSA-N -1 3 358.446 3.212 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@H]1CCC[C@@H](C(C)C)C1 ZINC000737062787 598782457 /nfs/dbraw/zinc/78/24/57/598782457.db2.gz NIBLCHXIGNDWNI-TZMCWYRMSA-N -1 3 358.446 3.212 20 0 FGADHM c1cc(COc2ccc(-c3noc(C4CC4)n3)cc2)cc(-c2nnn[n-]2)c1 ZINC000738412672 598789633 /nfs/dbraw/zinc/78/96/33/598789633.db2.gz FQETYHBEDXBMLI-UHFFFAOYSA-N -1 3 360.377 3.373 20 0 FGADHM c1cc(COc2ccc(-c3noc(C4CC4)n3)cc2)cc(-c2nn[n-]n2)c1 ZINC000738412672 598789635 /nfs/dbraw/zinc/78/96/35/598789635.db2.gz FQETYHBEDXBMLI-UHFFFAOYSA-N -1 3 360.377 3.373 20 0 FGADHM O[C@H](c1ccccc1)C1CCN(c2ccc(Cl)cc2-c2nnn[n-]2)CC1 ZINC000738383344 598792477 /nfs/dbraw/zinc/79/24/77/598792477.db2.gz AYHZSLPOLIDEAY-GOSISDBHSA-N -1 3 369.856 3.470 20 0 FGADHM O[C@H](c1ccccc1)C1CCN(c2ccc(Cl)cc2-c2nn[n-]n2)CC1 ZINC000738383344 598792479 /nfs/dbraw/zinc/79/24/79/598792479.db2.gz AYHZSLPOLIDEAY-GOSISDBHSA-N -1 3 369.856 3.470 20 0 FGADHM Cc1cccc(C)c1OCCCOC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000737390015 598800839 /nfs/dbraw/zinc/80/08/39/598800839.db2.gz NYSHYVZCWWZHFP-UHFFFAOYSA-N -1 3 366.421 3.038 20 0 FGADHM Cc1cccc(C)c1OCCCOC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000737390015 598800840 /nfs/dbraw/zinc/80/08/40/598800840.db2.gz NYSHYVZCWWZHFP-UHFFFAOYSA-N -1 3 366.421 3.038 20 0 FGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)Nc1ccc2[nH]ccc2c1 ZINC000737949183 598811267 /nfs/dbraw/zinc/81/12/67/598811267.db2.gz XOOBMNBNHHTDRC-UHFFFAOYSA-N -1 3 350.407 3.079 20 0 FGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)Nc1ccc2[nH]ccc2c1 ZINC000737949183 598811269 /nfs/dbraw/zinc/81/12/69/598811269.db2.gz XOOBMNBNHHTDRC-UHFFFAOYSA-N -1 3 350.407 3.079 20 0 FGADHM CN(C(=O)Cc1ccccc1C(F)(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000736739309 598818832 /nfs/dbraw/zinc/81/88/32/598818832.db2.gz KNIDKSBSVQYVJW-UHFFFAOYSA-N -1 3 361.327 3.091 20 0 FGADHM CN(C(=O)Cc1ccccc1C(F)(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000736739309 598818834 /nfs/dbraw/zinc/81/88/34/598818834.db2.gz KNIDKSBSVQYVJW-UHFFFAOYSA-N -1 3 361.327 3.091 20 0 FGADHM Cc1c2c(nc(SCc3ncc(C(C)C)o3)c1-c1nnn[n-]1)CCC2 ZINC000737217951 598820564 /nfs/dbraw/zinc/82/05/64/598820564.db2.gz IDVSXSCYRWUZCQ-UHFFFAOYSA-N -1 3 356.455 3.463 20 0 FGADHM Cc1c2c(nc(SCc3ncc(C(C)C)o3)c1-c1nn[n-]n1)CCC2 ZINC000737217951 598820566 /nfs/dbraw/zinc/82/05/66/598820566.db2.gz IDVSXSCYRWUZCQ-UHFFFAOYSA-N -1 3 356.455 3.463 20 0 FGADHM CCOc1cc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCC3)ccc1C ZINC000736628201 598822230 /nfs/dbraw/zinc/82/22/30/598822230.db2.gz TYRIUIRLNQYPBO-UHFFFAOYSA-N -1 3 369.450 3.376 20 0 FGADHM CCOc1cc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)ccc1C ZINC000736628201 598822231 /nfs/dbraw/zinc/82/22/31/598822231.db2.gz TYRIUIRLNQYPBO-UHFFFAOYSA-N -1 3 369.450 3.376 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1OC1CCC1 ZINC000738165019 599293192 /nfs/dbraw/zinc/29/31/92/599293192.db2.gz CFMBKZRWWPPGTB-UHFFFAOYSA-N -1 3 353.357 3.189 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1OC1CCC1 ZINC000738165019 599293194 /nfs/dbraw/zinc/29/31/94/599293194.db2.gz CFMBKZRWWPPGTB-UHFFFAOYSA-N -1 3 353.357 3.189 20 0 FGADHM CN(C(=O)Cc1ccc(C(F)(F)F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736739359 599303649 /nfs/dbraw/zinc/30/36/49/599303649.db2.gz MCQZUJSBJGBMFA-UHFFFAOYSA-N -1 3 361.327 3.091 20 0 FGADHM CN(C(=O)Cc1ccc(C(F)(F)F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736739359 599303651 /nfs/dbraw/zinc/30/36/51/599303651.db2.gz MCQZUJSBJGBMFA-UHFFFAOYSA-N -1 3 361.327 3.091 20 0 FGADHM Cc1oc(-c2cccs2)nc1C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737549468 599306447 /nfs/dbraw/zinc/30/64/47/599306447.db2.gz XXOLDWKZXWOSDS-UHFFFAOYSA-N -1 3 366.406 3.168 20 0 FGADHM Cc1oc(-c2cccs2)nc1C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737549468 599306450 /nfs/dbraw/zinc/30/64/50/599306450.db2.gz XXOLDWKZXWOSDS-UHFFFAOYSA-N -1 3 366.406 3.168 20 0 FGADHM CC(C)CO[C@@H](C)c1noc(CSCc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000820096343 599307831 /nfs/dbraw/zinc/30/78/31/599307831.db2.gz AMBFARPNVQIFFO-LBPRGKRZSA-N -1 3 374.470 3.417 20 0 FGADHM CC(C)CO[C@@H](C)c1noc(CSCc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000820096343 599307833 /nfs/dbraw/zinc/30/78/33/599307833.db2.gz AMBFARPNVQIFFO-LBPRGKRZSA-N -1 3 374.470 3.417 20 0 FGADHM CN(C(=O)C=Cc1nc2ccccc2s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736731468 599310410 /nfs/dbraw/zinc/31/04/10/599310410.db2.gz DQSJUNWANGUIEH-ZHACJKMWSA-N -1 3 362.418 3.153 20 0 FGADHM CN(C(=O)C=Cc1nc2ccccc2s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736731468 599310413 /nfs/dbraw/zinc/31/04/13/599310413.db2.gz DQSJUNWANGUIEH-ZHACJKMWSA-N -1 3 362.418 3.153 20 0 FGADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H]1C[C@]12CCCc1ccccc12 ZINC000821612405 599314010 /nfs/dbraw/zinc/31/40/10/599314010.db2.gz UDJYTFFRKOOBTO-UGKGYDQZSA-N -1 3 373.460 3.119 20 0 FGADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H]1C[C@]12CCCc1ccccc12 ZINC000821612405 599314012 /nfs/dbraw/zinc/31/40/12/599314012.db2.gz UDJYTFFRKOOBTO-UGKGYDQZSA-N -1 3 373.460 3.119 20 0 FGADHM CNC(=O)c1cccc(CS[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736883755 599326818 /nfs/dbraw/zinc/32/68/18/599326818.db2.gz YYYVEUDKZNBTSC-GFCCVEGCSA-N -1 3 353.451 3.221 20 0 FGADHM CNC(=O)c1cccc(CS[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736883755 599326822 /nfs/dbraw/zinc/32/68/22/599326822.db2.gz YYYVEUDKZNBTSC-GFCCVEGCSA-N -1 3 353.451 3.221 20 0 FGADHM C[C@H](SCC(=O)N[C@H]1CCCC[C@@H]1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736189151 599327859 /nfs/dbraw/zinc/32/78/59/599327859.db2.gz OAWABDHNBRRXCT-XEZPLFJOSA-N -1 3 359.499 3.356 20 0 FGADHM C[C@H](SCC(=O)N[C@H]1CCCC[C@@H]1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736189151 599327862 /nfs/dbraw/zinc/32/78/62/599327862.db2.gz OAWABDHNBRRXCT-XEZPLFJOSA-N -1 3 359.499 3.356 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NCCOC1CCCCCC1 ZINC000737294879 599339089 /nfs/dbraw/zinc/33/90/89/599339089.db2.gz RXTXVBJVXMWRTK-UHFFFAOYSA-N -1 3 358.446 3.036 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NCCOC1CCCCCC1 ZINC000737294879 599339091 /nfs/dbraw/zinc/33/90/91/599339091.db2.gz RXTXVBJVXMWRTK-UHFFFAOYSA-N -1 3 358.446 3.036 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1CNc1ccc2nc(C)sc2c1 ZINC000821737655 607370233 /nfs/dbraw/zinc/37/02/33/607370233.db2.gz ZPJLZLUDAPUHAE-UHFFFAOYSA-N -1 3 352.423 3.406 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1CNc1ccc2nc(C)sc2c1 ZINC000821737655 607370234 /nfs/dbraw/zinc/37/02/34/607370234.db2.gz ZPJLZLUDAPUHAE-UHFFFAOYSA-N -1 3 352.423 3.406 20 0 FGADHM CC(C)[C@@H](Sc1ccccc1-c1nnn[n-]1)C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000820650161 599347180 /nfs/dbraw/zinc/34/71/80/599347180.db2.gz RHFLRFUPZUQABM-CKEIUWERSA-N -1 3 373.526 3.488 20 0 FGADHM CC(C)[C@@H](Sc1ccccc1-c1nn[n-]n1)C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000820650161 599347182 /nfs/dbraw/zinc/34/71/82/599347182.db2.gz RHFLRFUPZUQABM-CKEIUWERSA-N -1 3 373.526 3.488 20 0 FGADHM Clc1ccc2ncc(-c3nnn[n-]3)c(N3CCC4(C3)CCOCC4)c2c1 ZINC000822581723 599358202 /nfs/dbraw/zinc/35/82/02/599358202.db2.gz LYIRKHLKPXAUNV-UHFFFAOYSA-N -1 3 370.844 3.075 20 0 FGADHM Clc1ccc2ncc(-c3nn[n-]n3)c(N3CCC4(C3)CCOCC4)c2c1 ZINC000822581723 599358208 /nfs/dbraw/zinc/35/82/08/599358208.db2.gz LYIRKHLKPXAUNV-UHFFFAOYSA-N -1 3 370.844 3.075 20 0 FGADHM COCCOCc1cccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821692946 599369483 /nfs/dbraw/zinc/36/94/83/599369483.db2.gz KOLVGNGTHGTZTH-AWEZNQCLSA-N -1 3 353.426 3.203 20 0 FGADHM COCCOCc1cccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821692946 599369485 /nfs/dbraw/zinc/36/94/85/599369485.db2.gz KOLVGNGTHGTZTH-AWEZNQCLSA-N -1 3 353.426 3.203 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(C)(C)c1cccc(F)c1 ZINC000736634347 599372483 /nfs/dbraw/zinc/37/24/83/599372483.db2.gz GUIIPCGFRQQULO-UHFFFAOYSA-N -1 3 369.400 3.321 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(C)(C)c1cccc(F)c1 ZINC000736634347 599372485 /nfs/dbraw/zinc/37/24/85/599372485.db2.gz GUIIPCGFRQQULO-UHFFFAOYSA-N -1 3 369.400 3.321 20 0 FGADHM Cc1cccc([C@H](C)OC(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737391190 599377069 /nfs/dbraw/zinc/37/70/69/599377069.db2.gz XJUWIUXSTVNYLW-UONOGXRCSA-N -1 3 352.394 3.247 20 0 FGADHM C[C@@H](CCC(C)(C)C)NC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000735986278 599379494 /nfs/dbraw/zinc/37/94/94/599379494.db2.gz QIXFMSIYPDMFNX-YOEHRIQHSA-N -1 3 370.501 3.167 20 0 FGADHM C[C@H](CCC(C)(C)C)NC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000735986276 599380127 /nfs/dbraw/zinc/38/01/27/599380127.db2.gz QIXFMSIYPDMFNX-RHSMWYFYSA-N -1 3 370.501 3.167 20 0 FGADHM CSCC[C@H](C)NC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000737184278 599383107 /nfs/dbraw/zinc/38/31/07/599383107.db2.gz WSTRHEMZNQUTDC-ZDUSSCGKSA-N -1 3 367.478 3.405 20 0 FGADHM CSCC[C@H](C)NC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000737184278 599383109 /nfs/dbraw/zinc/38/31/09/599383109.db2.gz WSTRHEMZNQUTDC-ZDUSSCGKSA-N -1 3 367.478 3.405 20 0 FGADHM C[C@@H](N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1nc(-c2cccs2)no1 ZINC000820414302 599388441 /nfs/dbraw/zinc/38/84/41/599388441.db2.gz XPMULXZBHRSJMQ-WDEREUQCSA-N -1 3 367.438 3.390 20 0 FGADHM C[C@@H](N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1nc(-c2cccs2)no1 ZINC000820414302 599388443 /nfs/dbraw/zinc/38/84/43/599388443.db2.gz XPMULXZBHRSJMQ-WDEREUQCSA-N -1 3 367.438 3.390 20 0 FGADHM Fc1ccc(COc2ccc(OC(F)(F)F)cc2)c(-c2nnn[n-]2)c1 ZINC000822771466 599389221 /nfs/dbraw/zinc/38/92/21/599389221.db2.gz IDRHBCOUZHXKLE-UHFFFAOYSA-N -1 3 354.263 3.483 20 0 FGADHM Fc1ccc(COc2ccc(OC(F)(F)F)cc2)c(-c2nn[n-]n2)c1 ZINC000822771466 599389224 /nfs/dbraw/zinc/38/92/24/599389224.db2.gz IDRHBCOUZHXKLE-UHFFFAOYSA-N -1 3 354.263 3.483 20 0 FGADHM Cc1ccc(Cl)cc1OCC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000822239931 599389454 /nfs/dbraw/zinc/38/94/54/599389454.db2.gz LDMHRWNOPYLZPO-GFCCVEGCSA-N -1 3 371.828 3.085 20 0 FGADHM Cc1ccc(Cl)cc1OCC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000822239931 599389457 /nfs/dbraw/zinc/38/94/57/599389457.db2.gz LDMHRWNOPYLZPO-GFCCVEGCSA-N -1 3 371.828 3.085 20 0 FGADHM C[C@@H](NCc1csc(-c2ccccn2)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000820438070 599392933 /nfs/dbraw/zinc/39/29/33/599392933.db2.gz HQTRCJXFAKOWPN-GFCCVEGCSA-N -1 3 363.450 3.236 20 0 FGADHM C[C@@H](NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F)c1ccc(Cl)cc1 ZINC000820364759 599398088 /nfs/dbraw/zinc/39/80/88/599398088.db2.gz FBEUMCOBOVMFHO-SNVBAGLBSA-N -1 3 374.807 3.220 20 0 FGADHM C[C@@H](NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F)c1ccc(Cl)cc1 ZINC000820364759 599398093 /nfs/dbraw/zinc/39/80/93/599398093.db2.gz FBEUMCOBOVMFHO-SNVBAGLBSA-N -1 3 374.807 3.220 20 0 FGADHM C[C@H](NC(=O)NCCSc1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820367474 599399175 /nfs/dbraw/zinc/39/91/75/599399175.db2.gz UUNRMPLUEZQVEF-ZDUSSCGKSA-N -1 3 368.466 3.019 20 0 FGADHM C[C@H](NC(=O)NCCSc1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820367474 599399178 /nfs/dbraw/zinc/39/91/78/599399178.db2.gz UUNRMPLUEZQVEF-ZDUSSCGKSA-N -1 3 368.466 3.019 20 0 FGADHM c1nn(-c2ccccc2)cc1CNc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000738425078 599403147 /nfs/dbraw/zinc/40/31/47/599403147.db2.gz KEPPRBDEHMTESH-UHFFFAOYSA-N -1 3 368.404 3.213 20 0 FGADHM c1nn(-c2ccccc2)cc1CNc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000738425078 599403149 /nfs/dbraw/zinc/40/31/49/599403149.db2.gz KEPPRBDEHMTESH-UHFFFAOYSA-N -1 3 368.404 3.213 20 0 FGADHM C[C@@H](NC(=O)N[C@H](C)c1c(F)cccc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000820353078 599416104 /nfs/dbraw/zinc/41/61/04/599416104.db2.gz XXMWGSRCPAVXHT-GHMZBOCLSA-N -1 3 372.379 3.266 20 0 FGADHM C[C@@H](NC(=O)N[C@H](C)c1c(F)cccc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000820353078 599416105 /nfs/dbraw/zinc/41/61/05/599416105.db2.gz XXMWGSRCPAVXHT-GHMZBOCLSA-N -1 3 372.379 3.266 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1CSc1ncnc2ccccc21 ZINC000821752914 607376210 /nfs/dbraw/zinc/37/62/10/607376210.db2.gz VTDZDQOEVQEJBT-UHFFFAOYSA-N -1 3 350.407 3.111 20 0 FGADHM CSc1ccc(CNC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821979765 599423645 /nfs/dbraw/zinc/42/36/45/599423645.db2.gz WHNPJVJSFZIPOX-LBPRGKRZSA-N -1 3 368.466 3.149 20 0 FGADHM CSc1ccc(CNC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821979765 599423647 /nfs/dbraw/zinc/42/36/47/599423647.db2.gz WHNPJVJSFZIPOX-LBPRGKRZSA-N -1 3 368.466 3.149 20 0 FGADHM Cc1nc(-c2ccc(CCNc3ncccc3-c3nnn[n-]3)cc2)cs1 ZINC000822418951 599437225 /nfs/dbraw/zinc/43/72/25/599437225.db2.gz KDGVEDJLLQZYGC-UHFFFAOYSA-N -1 3 363.450 3.348 20 0 FGADHM Cc1nc(-c2ccc(CCNc3ncccc3-c3nn[n-]n3)cc2)cs1 ZINC000822418951 599437227 /nfs/dbraw/zinc/43/72/27/599437227.db2.gz KDGVEDJLLQZYGC-UHFFFAOYSA-N -1 3 363.450 3.348 20 0 FGADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCCCC1CC1 ZINC000735832288 599454777 /nfs/dbraw/zinc/45/47/77/599454777.db2.gz YYIQISNSXRTDCV-UHFFFAOYSA-N -1 3 356.474 3.225 20 0 FGADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCCC1CC1 ZINC000735832288 599454779 /nfs/dbraw/zinc/45/47/79/599454779.db2.gz YYIQISNSXRTDCV-UHFFFAOYSA-N -1 3 356.474 3.225 20 0 FGADHM Fc1ccc(-c2nn[n-]n2)cc1CNCc1ccccc1Br ZINC000822761258 599456933 /nfs/dbraw/zinc/45/69/33/599456933.db2.gz FHVMCXNDJFJWFN-UHFFFAOYSA-N -1 3 362.206 3.058 20 0 FGADHM CC(C)CCCCCCNC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000820072259 599462445 /nfs/dbraw/zinc/46/24/45/599462445.db2.gz CYLROOFAIOWMTR-UHFFFAOYSA-N -1 3 362.453 3.412 20 0 FGADHM CC(C)CCCCCCNC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000820072259 599462446 /nfs/dbraw/zinc/46/24/46/599462446.db2.gz CYLROOFAIOWMTR-UHFFFAOYSA-N -1 3 362.453 3.412 20 0 FGADHM CN(C(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)c1ccccn1 ZINC000736741031 599465514 /nfs/dbraw/zinc/46/55/14/599465514.db2.gz LAAOZRZZVCQJDO-UHFFFAOYSA-N -1 3 372.388 3.331 20 0 FGADHM COc1cc(C)c(CN(C)c2c(Cl)cccc2-c2nnn[n-]2)cc1OC ZINC000821708061 599465643 /nfs/dbraw/zinc/46/56/43/599465643.db2.gz JMIANDDVSNWABN-UHFFFAOYSA-N -1 3 373.844 3.482 20 0 FGADHM COc1cc(C)c(CN(C)c2c(Cl)cccc2-c2nn[n-]n2)cc1OC ZINC000821708061 599465647 /nfs/dbraw/zinc/46/56/47/599465647.db2.gz JMIANDDVSNWABN-UHFFFAOYSA-N -1 3 373.844 3.482 20 0 FGADHM Clc1cccc(-c2nnn[n-]2)c1NCc1ccnc(N2CCCC2)c1 ZINC000822585484 599469926 /nfs/dbraw/zinc/46/99/26/599469926.db2.gz ALTJJMSXICHORZ-UHFFFAOYSA-N -1 3 355.833 3.127 20 0 FGADHM Clc1cccc(-c2nn[n-]n2)c1NCc1ccnc(N2CCCC2)c1 ZINC000822585484 599469928 /nfs/dbraw/zinc/46/99/28/599469928.db2.gz ALTJJMSXICHORZ-UHFFFAOYSA-N -1 3 355.833 3.127 20 0 FGADHM C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000736234155 599492144 /nfs/dbraw/zinc/49/21/44/599492144.db2.gz IGFIFWGXJKNYFK-DOMZBBRYSA-N -1 3 366.400 3.416 20 0 FGADHM C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000736234155 599492145 /nfs/dbraw/zinc/49/21/45/599492145.db2.gz IGFIFWGXJKNYFK-DOMZBBRYSA-N -1 3 366.400 3.416 20 0 FGADHM C[C@@H](Nc1ccc(F)cc1-c1nnn[n-]1)c1cccc(N2CCCC2=O)c1 ZINC000820455111 599497317 /nfs/dbraw/zinc/49/73/17/599497317.db2.gz DFEMTALKVYHRCE-GFCCVEGCSA-N -1 3 366.400 3.306 20 0 FGADHM C[C@@H](Nc1ccc(F)cc1-c1nn[n-]n1)c1cccc(N2CCCC2=O)c1 ZINC000820455111 599497318 /nfs/dbraw/zinc/49/73/18/599497318.db2.gz DFEMTALKVYHRCE-GFCCVEGCSA-N -1 3 366.400 3.306 20 0 FGADHM C[C@@H](NC(=O)NC(C)(C)c1cccc(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736112255 599500812 /nfs/dbraw/zinc/50/08/12/599500812.db2.gz HPZGOEJUSUXJEL-GFCCVEGCSA-N -1 3 368.416 3.301 20 0 FGADHM C[C@@H](NC(=O)NC(C)(C)c1cccc(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736112255 599500814 /nfs/dbraw/zinc/50/08/14/599500814.db2.gz HPZGOEJUSUXJEL-GFCCVEGCSA-N -1 3 368.416 3.301 20 0 FGADHM Cc1cc(Cl)ccc1OCC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822202407 599504996 /nfs/dbraw/zinc/50/49/96/599504996.db2.gz YOOKJSQMUCPQJV-GFCCVEGCSA-N -1 3 371.828 3.085 20 0 FGADHM Cc1cc(Cl)ccc1OCC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822202407 599504997 /nfs/dbraw/zinc/50/49/97/599504997.db2.gz YOOKJSQMUCPQJV-GFCCVEGCSA-N -1 3 371.828 3.085 20 0 FGADHM C[C@@H](NC(=O)c1cc(Cl)nc(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820390010 599516855 /nfs/dbraw/zinc/51/68/55/599516855.db2.gz CYPZWXIQBYDCSZ-MRVPVSSYSA-N -1 3 363.208 3.060 20 0 FGADHM C[C@@H](NC(=O)c1cc(Cl)nc(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820390010 599516856 /nfs/dbraw/zinc/51/68/56/599516856.db2.gz CYPZWXIQBYDCSZ-MRVPVSSYSA-N -1 3 363.208 3.060 20 0 FGADHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(N[C@H](C)c3cccc(O)c3)c2c1 ZINC000822194998 599517246 /nfs/dbraw/zinc/51/72/46/599517246.db2.gz CQMRBUKXGBPHQD-CYBMUJFWSA-N -1 3 360.421 3.332 20 0 FGADHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(N[C@H](C)c3cccc(O)c3)c2c1 ZINC000822194998 599517247 /nfs/dbraw/zinc/51/72/47/599517247.db2.gz CQMRBUKXGBPHQD-CYBMUJFWSA-N -1 3 360.421 3.332 20 0 FGADHM COc1ccccc1CC1CCN(c2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000821890762 599518825 /nfs/dbraw/zinc/51/88/25/599518825.db2.gz PTWWSQHMXCXVIJ-UHFFFAOYSA-N -1 3 367.428 3.474 20 0 FGADHM COc1ccccc1CC1CCN(c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000821890762 599518826 /nfs/dbraw/zinc/51/88/26/599518826.db2.gz PTWWSQHMXCXVIJ-UHFFFAOYSA-N -1 3 367.428 3.474 20 0 FGADHM Fc1cccc([C@@H]2CN(c3c(Cl)cccc3-c3nnn[n-]3)CCO2)c1 ZINC000822787295 599522932 /nfs/dbraw/zinc/52/29/32/599522932.db2.gz XKPSELKWQUEVFP-HNNXBMFYSA-N -1 3 359.792 3.237 20 0 FGADHM Fc1cccc([C@@H]2CN(c3c(Cl)cccc3-c3nn[n-]n3)CCO2)c1 ZINC000822787295 599522935 /nfs/dbraw/zinc/52/29/35/599522935.db2.gz XKPSELKWQUEVFP-HNNXBMFYSA-N -1 3 359.792 3.237 20 0 FGADHM C[C@@H](NC(=O)c1cc(-c2ccccc2)no1)c1cccc(-c2nnn[n-]2)c1 ZINC000820385223 599523300 /nfs/dbraw/zinc/52/33/00/599523300.db2.gz QTJUDEMWVRBWBU-GFCCVEGCSA-N -1 3 360.377 3.013 20 0 FGADHM C[C@@H](NC(=O)c1cc(-c2ccccc2)no1)c1cccc(-c2nn[n-]n2)c1 ZINC000820385223 599523303 /nfs/dbraw/zinc/52/33/03/599523303.db2.gz QTJUDEMWVRBWBU-GFCCVEGCSA-N -1 3 360.377 3.013 20 0 FGADHM C[C@H](NC(=O)CCn1ccc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820327938 599523549 /nfs/dbraw/zinc/52/35/49/599523549.db2.gz LDULSBQZAHORCZ-AWEZNQCLSA-N -1 3 360.421 3.089 20 0 FGADHM C[C@H](NC(=O)CCn1ccc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820327938 599523551 /nfs/dbraw/zinc/52/35/51/599523551.db2.gz LDULSBQZAHORCZ-AWEZNQCLSA-N -1 3 360.421 3.089 20 0 FGADHM C[C@@H](NC(=O)[C@@H](C)CCc1ccccc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000820254199 599525633 /nfs/dbraw/zinc/52/56/33/599525633.db2.gz NPYPBZWBLUEMHT-UONOGXRCSA-N -1 3 367.428 3.452 20 0 FGADHM C[C@@H](NC(=O)[C@@H](C)CCc1ccccc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000820254199 599525635 /nfs/dbraw/zinc/52/56/35/599525635.db2.gz NPYPBZWBLUEMHT-UONOGXRCSA-N -1 3 367.428 3.452 20 0 FGADHM COc1ccccc1CCN(C)c1c(-c2nnn[n-]2)cnc2ccccc21 ZINC000821891113 599526261 /nfs/dbraw/zinc/52/62/61/599526261.db2.gz VSPASQRMOKEJLR-UHFFFAOYSA-N -1 3 360.421 3.102 20 0 FGADHM COc1ccccc1CCN(C)c1c(-c2nn[n-]n2)cnc2ccccc21 ZINC000821891113 599526264 /nfs/dbraw/zinc/52/62/64/599526264.db2.gz VSPASQRMOKEJLR-UHFFFAOYSA-N -1 3 360.421 3.102 20 0 FGADHM COc1ccccc1CCN(C)c1c(-c2nnn[n-]2)cnc2c(C)cccc21 ZINC000821890683 599526500 /nfs/dbraw/zinc/52/65/00/599526500.db2.gz NXLDTZZTGQRCRX-UHFFFAOYSA-N -1 3 374.448 3.411 20 0 FGADHM COc1ccccc1CCN(C)c1c(-c2nn[n-]n2)cnc2c(C)cccc21 ZINC000821890683 599526502 /nfs/dbraw/zinc/52/65/02/599526502.db2.gz NXLDTZZTGQRCRX-UHFFFAOYSA-N -1 3 374.448 3.411 20 0 FGADHM Cc1ccccc1[C@H]1C[C@@H](C)N(c2nc3c(cc2-c2nnn[n-]2)CCC3)C1 ZINC000737425183 599529312 /nfs/dbraw/zinc/52/93/12/599529312.db2.gz ZOVWECSYCGCMGS-ZBFHGGJFSA-N -1 3 360.465 3.441 20 0 FGADHM Cc1ccccc1[C@H]1C[C@@H](C)N(c2nc3c(cc2-c2nn[n-]n2)CCC3)C1 ZINC000737425183 599529313 /nfs/dbraw/zinc/52/93/13/599529313.db2.gz ZOVWECSYCGCMGS-ZBFHGGJFSA-N -1 3 360.465 3.441 20 0 FGADHM Clc1cccc(-c2nnn[n-]2)c1N1CCCO[C@@H](c2ccccc2)C1 ZINC000822581414 599530081 /nfs/dbraw/zinc/53/00/81/599530081.db2.gz HWOXZKCZGJMQPE-MRXNPFEDSA-N -1 3 355.829 3.488 20 0 FGADHM Clc1cccc(-c2nn[n-]n2)c1N1CCCO[C@@H](c2ccccc2)C1 ZINC000822581414 599530082 /nfs/dbraw/zinc/53/00/82/599530082.db2.gz HWOXZKCZGJMQPE-MRXNPFEDSA-N -1 3 355.829 3.488 20 0 FGADHM C[C@@H](Cc1ccccc1F)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736056430 599539268 /nfs/dbraw/zinc/53/92/68/599539268.db2.gz BRMOAPIKSOIVKV-JTQLQIEISA-N -1 3 359.792 3.477 20 0 FGADHM C[C@@H](Cc1ccccc1F)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736056430 599539271 /nfs/dbraw/zinc/53/92/71/599539271.db2.gz BRMOAPIKSOIVKV-JTQLQIEISA-N -1 3 359.792 3.477 20 0 FGADHM Cc1nn(C)c(Cl)c1[C@@H]1CCCN1c1ccc(F)cc1-c1nnn[n-]1 ZINC000822496567 599540722 /nfs/dbraw/zinc/54/07/22/599540722.db2.gz RAPVTZGAZNRLOA-ZDUSSCGKSA-N -1 3 361.812 3.043 20 0 FGADHM Cc1nn(C)c(Cl)c1[C@@H]1CCCN1c1ccc(F)cc1-c1nn[n-]n1 ZINC000822496567 599540724 /nfs/dbraw/zinc/54/07/24/599540724.db2.gz RAPVTZGAZNRLOA-ZDUSSCGKSA-N -1 3 361.812 3.043 20 0 FGADHM C[C@H](Cc1ccccc1F)C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736059381 599542448 /nfs/dbraw/zinc/54/24/48/599542448.db2.gz RUWGWLOJWJMKDE-OLZOCXBDSA-N -1 3 353.401 3.062 20 0 FGADHM C[C@H](Cc1ccccc1F)C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736059381 599542450 /nfs/dbraw/zinc/54/24/50/599542450.db2.gz RUWGWLOJWJMKDE-OLZOCXBDSA-N -1 3 353.401 3.062 20 0 FGADHM Cc1ncc(CCNc2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)s1 ZINC000822467931 607383702 /nfs/dbraw/zinc/38/37/02/607383702.db2.gz UPTGSVNYRGEMHD-UHFFFAOYSA-N -1 3 373.392 3.113 20 0 FGADHM Cc1ncc(CCNc2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)s1 ZINC000822467931 607383704 /nfs/dbraw/zinc/38/37/04/607383704.db2.gz UPTGSVNYRGEMHD-UHFFFAOYSA-N -1 3 373.392 3.113 20 0 FGADHM CC(C)CN(C)C(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735827168 599563684 /nfs/dbraw/zinc/56/36/84/599563684.db2.gz HSVMQMRTGYEDHR-UHFFFAOYSA-N -1 3 350.426 3.338 20 0 FGADHM COc1ccccc1[C@H]1CCN(c2c(-c3nnn[n-]3)cnc3ccccc32)C1 ZINC000821891230 599566339 /nfs/dbraw/zinc/56/63/39/599566339.db2.gz XPRIQVQDSJZCLV-AWEZNQCLSA-N -1 3 372.432 3.417 20 0 FGADHM COc1ccccc1[C@H]1CCN(c2c(-c3nn[n-]n3)cnc3ccccc32)C1 ZINC000821891230 599566341 /nfs/dbraw/zinc/56/63/41/599566341.db2.gz XPRIQVQDSJZCLV-AWEZNQCLSA-N -1 3 372.432 3.417 20 0 FGADHM CCC(=O)[C@@H](C)OC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736304545 599607324 /nfs/dbraw/zinc/60/73/24/599607324.db2.gz NWOAOZDKQGBLST-GFCCVEGCSA-N -1 3 365.393 3.135 20 0 FGADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1)[C@@H]1SCCc2sccc21 ZINC000823418963 599623563 /nfs/dbraw/zinc/62/35/63/599623563.db2.gz ZUJBJPLRMLZOPI-CQSZACIVSA-N -1 3 358.448 3.002 20 0 FGADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1)[C@@H]1SCCc2sccc21 ZINC000823418963 599623564 /nfs/dbraw/zinc/62/35/64/599623564.db2.gz ZUJBJPLRMLZOPI-CQSZACIVSA-N -1 3 358.448 3.002 20 0 FGADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OCc1ccsc1 ZINC000820032632 599625909 /nfs/dbraw/zinc/62/59/09/599625909.db2.gz PFXSKMJDPXVSTL-HNNXBMFYSA-N -1 3 358.423 3.075 20 0 FGADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)OCc1ccsc1 ZINC000820032632 599625910 /nfs/dbraw/zinc/62/59/10/599625910.db2.gz PFXSKMJDPXVSTL-HNNXBMFYSA-N -1 3 358.423 3.075 20 0 FGADHM C[C@H](CCc1cccc(F)c1)C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000820254891 599630257 /nfs/dbraw/zinc/63/02/57/599630257.db2.gz ZEDRPFREMUIWDV-GFCCVEGCSA-N -1 3 371.391 3.377 20 0 FGADHM C[C@H](CCc1cccc(F)c1)C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000820254891 599630258 /nfs/dbraw/zinc/63/02/58/599630258.db2.gz ZEDRPFREMUIWDV-GFCCVEGCSA-N -1 3 371.391 3.377 20 0 FGADHM O=C(Cc1cccc(F)c1)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000823112070 599633895 /nfs/dbraw/zinc/63/38/95/599633895.db2.gz RKQZPYMHMPPRKU-UHFFFAOYSA-N -1 3 365.290 3.206 20 0 FGADHM O=C(Cc1cccc(F)c1)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823112070 599633896 /nfs/dbraw/zinc/63/38/96/599633896.db2.gz RKQZPYMHMPPRKU-UHFFFAOYSA-N -1 3 365.290 3.206 20 0 FGADHM CC(C)c1ccc(C(=O)[C@@H](C)OC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000820508105 599648636 /nfs/dbraw/zinc/64/86/36/599648636.db2.gz MMIPLDFGULFACD-CYBMUJFWSA-N -1 3 364.405 3.418 20 0 FGADHM CC(C)c1ccc(C(=O)[C@@H](C)OC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000820508105 599648637 /nfs/dbraw/zinc/64/86/37/599648637.db2.gz MMIPLDFGULFACD-CYBMUJFWSA-N -1 3 364.405 3.418 20 0 FGADHM Cc1noc(C)c1[C@H](C)C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000822519801 607397871 /nfs/dbraw/zinc/39/78/71/607397871.db2.gz MDHQITAKKVOBQE-JTQLQIEISA-N -1 3 370.413 3.001 20 0 FGADHM Cc1noc(C)c1[C@H](C)C(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000822519801 607397873 /nfs/dbraw/zinc/39/78/73/607397873.db2.gz MDHQITAKKVOBQE-JTQLQIEISA-N -1 3 370.413 3.001 20 0 FGADHM CC(=O)Nc1cccc([C@@H](C)OC(=O)c2ccc(-c3nnn[n-]3)cc2C)c1 ZINC000824005143 607398864 /nfs/dbraw/zinc/39/88/64/607398864.db2.gz LHCMZSIIPZYEPO-GFCCVEGCSA-N -1 3 365.393 3.052 20 0 FGADHM CC(=O)Nc1cccc([C@@H](C)OC(=O)c2ccc(-c3nn[n-]n3)cc2C)c1 ZINC000824005143 607398866 /nfs/dbraw/zinc/39/88/66/607398866.db2.gz LHCMZSIIPZYEPO-GFCCVEGCSA-N -1 3 365.393 3.052 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@H]1C[C@@H]1c1sccc1C ZINC000825608709 607399076 /nfs/dbraw/zinc/39/90/76/607399076.db2.gz CPZOITACCBPXNS-STQMWFEESA-N -1 3 370.434 3.344 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@H]1C[C@@H]1c1sccc1C ZINC000825608709 607399078 /nfs/dbraw/zinc/39/90/78/607399078.db2.gz CPZOITACCBPXNS-STQMWFEESA-N -1 3 370.434 3.344 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC000826253171 607405387 /nfs/dbraw/zinc/40/53/87/607405387.db2.gz HHRYXNZWXHVTNZ-SJORKVTESA-N -1 3 352.369 3.161 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC000826253171 607405388 /nfs/dbraw/zinc/40/53/88/607405388.db2.gz HHRYXNZWXHVTNZ-SJORKVTESA-N -1 3 352.369 3.161 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)[C@H](C)Oc1ccccc1Cl ZINC000826252903 607406583 /nfs/dbraw/zinc/40/65/83/607406583.db2.gz XMKGCZFTTBZBAX-LBPRGKRZSA-N -1 3 372.812 3.339 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)[C@H](C)Oc1ccccc1Cl ZINC000826252903 607406585 /nfs/dbraw/zinc/40/65/85/607406585.db2.gz XMKGCZFTTBZBAX-LBPRGKRZSA-N -1 3 372.812 3.339 20 0 FGADHM COc1ccc(Cl)cc1CC(=O)OCc1ccc(-c2nnn[n-]2)cc1C ZINC000826208396 607409029 /nfs/dbraw/zinc/40/90/29/607409029.db2.gz IMCSOKQQMQKOPB-UHFFFAOYSA-N -1 3 372.812 3.123 20 0 FGADHM COc1ccc(Cl)cc1CC(=O)OCc1ccc(-c2nn[n-]n2)cc1C ZINC000826208396 607409030 /nfs/dbraw/zinc/40/90/30/607409030.db2.gz IMCSOKQQMQKOPB-UHFFFAOYSA-N -1 3 372.812 3.123 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)CCc1ccc(Cl)cc1 ZINC000821741336 607411601 /nfs/dbraw/zinc/41/16/01/607411601.db2.gz KXPJVWGFPBXERN-UHFFFAOYSA-N -1 3 372.812 3.205 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)CCc1ccc(Cl)cc1 ZINC000821741336 607411603 /nfs/dbraw/zinc/41/16/03/607411603.db2.gz KXPJVWGFPBXERN-UHFFFAOYSA-N -1 3 372.812 3.205 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)C=C(C)c1ccc(F)cc1 ZINC000821740986 607414950 /nfs/dbraw/zinc/41/49/50/607414950.db2.gz FNMACRMBDVELCQ-FMIVXFBMSA-N -1 3 368.368 3.161 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)C=C(C)c1ccc(F)cc1 ZINC000821740986 607414953 /nfs/dbraw/zinc/41/49/53/607414953.db2.gz FNMACRMBDVELCQ-FMIVXFBMSA-N -1 3 368.368 3.161 20 0 FGADHM CCCN1CCC[C@H]1C(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000737030536 600075503 /nfs/dbraw/zinc/07/55/03/600075503.db2.gz SWENUBFMEAXCEL-INIZCTEOSA-N -1 3 350.484 3.207 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)C/C=C/c1cccc(F)c1 ZINC000821741758 607420079 /nfs/dbraw/zinc/42/00/79/607420079.db2.gz RNIPRLXIYHMSOF-HWKANZROSA-N -1 3 368.368 3.161 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)C/C=C/c1cccc(F)c1 ZINC000821741758 607420081 /nfs/dbraw/zinc/42/00/81/607420081.db2.gz RNIPRLXIYHMSOF-HWKANZROSA-N -1 3 368.368 3.161 20 0 FGADHM Cc1ccc([C@H](CNC(=O)Nc2cccc(CN(C)C)c2)C(=O)[O-])cc1 ZINC000738557946 600172074 /nfs/dbraw/zinc/17/20/74/600172074.db2.gz ADUCYEAUUSFBSH-SFHVURJKSA-N -1 3 355.438 3.047 20 0 FGADHM Cc1c(NC(=O)N2CCN(C3CCC(C)CC3)CC2)cccc1C(=O)[O-] ZINC000738303417 600181209 /nfs/dbraw/zinc/18/12/09/600181209.db2.gz HTKYEUMSTYEEAW-UHFFFAOYSA-N -1 3 359.470 3.421 20 0 FGADHM CN(C(=O)C(F)(F)c1cccc(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825812135 607435354 /nfs/dbraw/zinc/43/53/54/607435354.db2.gz IFINUQLBPXTZJM-UHFFFAOYSA-N -1 3 363.755 3.275 20 0 FGADHM CN(C(=O)C(F)(F)c1cccc(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825812135 607435355 /nfs/dbraw/zinc/43/53/55/607435355.db2.gz IFINUQLBPXTZJM-UHFFFAOYSA-N -1 3 363.755 3.275 20 0 FGADHM COc1cc(CN[C@@H](C(=O)[O-])c2ccc(F)cc2)ccc1OC(F)F ZINC000737885672 600418219 /nfs/dbraw/zinc/41/82/19/600418219.db2.gz FZRHTXBXTGLPTG-OAHLLOKOSA-N -1 3 355.312 3.351 20 0 FGADHM O=C([O-])[C@H](NCc1cccc(NC(=O)c2ccncc2)c1)c1ccccc1 ZINC000738511751 600428031 /nfs/dbraw/zinc/42/80/31/600428031.db2.gz YNFNFFWVXDTQCW-LJQANCHMSA-N -1 3 361.401 3.249 20 0 FGADHM O=C([O-])c1cccc(NC(=O)NC[C@H]2CCCN2Cc2ccccc2)c1 ZINC000390605614 600525789 /nfs/dbraw/zinc/52/57/89/600525789.db2.gz CNJMXRRPYFFCSG-GOSISDBHSA-N -1 3 353.422 3.171 20 0 FGADHM O=C([O-])c1cccc(-c2noc([C@H]3CCCN(Cc4cccnc4)C3)n2)c1 ZINC000833328183 600694830 /nfs/dbraw/zinc/69/48/30/600694830.db2.gz ZWOPLHXECIPUMW-KRWDZBQOSA-N -1 3 364.405 3.209 20 0 FGADHM C[C@H](c1ccc(C(=O)[O-])o1)N1CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000736806066 600715548 /nfs/dbraw/zinc/71/55/48/600715548.db2.gz HHANNDSCGCHBFA-UPJWGTAASA-N -1 3 352.431 3.274 20 0 FGADHM Cc1cc(CN[C@@H](C)c2ccc3[nH]c(=O)[nH]c3c2)cc(C)c1OCC(=O)[O-] ZINC000738388058 600728750 /nfs/dbraw/zinc/72/87/50/600728750.db2.gz HQJUANQBHWVMAT-ZDUSSCGKSA-N -1 3 369.421 3.200 20 0 FGADHM CC(C)[C@H](CN[C@@H](C(=O)[O-])c1ccccc1F)NC(=O)OC(C)(C)C ZINC000826688106 600749931 /nfs/dbraw/zinc/74/99/31/600749931.db2.gz VAWMLQHGYNSFCF-LSDHHAIUSA-N -1 3 354.422 3.090 20 0 FGADHM CC(C)(CC(=O)[O-])NCc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000736316865 600800647 /nfs/dbraw/zinc/80/06/47/600800647.db2.gz FFZDPHJSSNLWEG-UHFFFAOYSA-N -1 3 352.232 3.182 20 0 FGADHM CC[C@H](C)[C@H](NC(=O)CN(C)[C@H]1CCC[C@H]1c1ccc(C)cc1)C(=O)[O-] ZINC000828707251 600839485 /nfs/dbraw/zinc/83/94/85/600839485.db2.gz FBTKMXHUAYWJDC-CAIZAGQASA-N -1 3 360.498 3.178 20 0 FGADHM O=C([O-])[C@@H]1CCC[C@@H](C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)C1 ZINC000833182765 600926455 /nfs/dbraw/zinc/92/64/55/600926455.db2.gz GJISVRFYUNDBPD-QRVBRYPASA-N -1 3 358.482 3.221 20 0 FGADHM CN(C)Cc1cccc(C(=O)N2C[C@H](C3CCCCC3)C[C@H]2C(=O)[O-])c1 ZINC000830620216 600978629 /nfs/dbraw/zinc/97/86/29/600978629.db2.gz RSOHKMKNBQEZTO-MOPGFXCFSA-N -1 3 358.482 3.244 20 0 FGADHM CN(C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000388587666 600983825 /nfs/dbraw/zinc/98/38/25/600983825.db2.gz HIMFHESVLKSTLA-QYZOEREBSA-N -1 3 358.482 3.000 20 0 FGADHM C[C@H](c1ccccc1Br)N(C)Cc1ccnc(-c2nnn[n-]2)c1 ZINC000824770266 607490378 /nfs/dbraw/zinc/49/03/78/607490378.db2.gz HSDRKZPEGRONJP-LLVKDONJSA-N -1 3 373.258 3.217 20 0 FGADHM Cc1ccc(NC(=O)[C@H]2CCCN([C@@H](C)c3ccc(C(=O)[O-])o3)C2)nc1 ZINC000832940664 601169506 /nfs/dbraw/zinc/16/95/06/601169506.db2.gz BPDKFTRLYWMHLE-KBPBESRZSA-N -1 3 357.410 3.093 20 0 FGADHM Cc1ccc(NC(=O)[C@H]2CCCN(Cc3ccc(F)cc3C(=O)[O-])C2)nc1 ZINC000832941597 601169547 /nfs/dbraw/zinc/16/95/47/601169547.db2.gz LNKYGMVBMSSJLQ-HNNXBMFYSA-N -1 3 371.412 3.078 20 0 FGADHM Cc1cc(CN(C)CC(C)(C)CNC(=O)OC(C)(C)C)oc1C(=O)[O-] ZINC000832881704 601308769 /nfs/dbraw/zinc/30/87/69/601308769.db2.gz KOEGSSUIEZJBDG-UHFFFAOYSA-N -1 3 354.447 3.269 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1CN(Cc1ccccc1F)C1CC1 ZINC000821732474 607504461 /nfs/dbraw/zinc/50/44/61/607504461.db2.gz OGXAFPGYPMFQTL-UHFFFAOYSA-N -1 3 353.401 3.179 20 0 FGADHM O=C([O-])c1ccc(OC[C@H](O)CN2CCCC[C@@H]2c2ccc(F)cc2)cc1 ZINC000833321891 601452355 /nfs/dbraw/zinc/45/23/55/601452355.db2.gz QWMASIFWDUARMF-UYAOXDASSA-N -1 3 373.424 3.491 20 0 FGADHM CC(=O)C(C)(C)CCC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC000823962058 607508409 /nfs/dbraw/zinc/50/84/09/607508409.db2.gz DPWWRZDJJYSNDC-UHFFFAOYSA-N -1 3 371.485 3.247 20 0 FGADHM CC(=O)C(C)(C)CCC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC000823962058 607508410 /nfs/dbraw/zinc/50/84/10/607508410.db2.gz DPWWRZDJJYSNDC-UHFFFAOYSA-N -1 3 371.485 3.247 20 0 FGADHM COc1ccc(-n2c(CN3C[C@@H](C)[C@H](C(=O)[O-])C3)nc3ccccc32)cc1 ZINC000263306359 601529354 /nfs/dbraw/zinc/52/93/54/601529354.db2.gz HIHVCXVZECBFGE-RHSMWYFYSA-N -1 3 365.433 3.187 20 0 FGADHM Cc1sc(C(=O)[O-])cc1CN1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000833031084 601642332 /nfs/dbraw/zinc/64/23/32/601642332.db2.gz DTGBRCPSZZVWJW-BXUZGUMPSA-N -1 3 368.499 3.490 20 0 FGADHM COc1cccc(NC(=O)[C@H](NCC(C)(C)C(=O)[O-])c2ccccc2)c1 ZINC000832561633 601644266 /nfs/dbraw/zinc/64/42/66/601644266.db2.gz BUXJQPIVXLMXKK-QGZVFWFLSA-N -1 3 356.422 3.075 20 0 FGADHM C[C@@H](C(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1)c1cccs1 ZINC000825994703 601732258 /nfs/dbraw/zinc/73/22/58/601732258.db2.gz JACNJYJXCBRNLS-QRWLVFNGSA-N -1 3 372.490 3.087 20 0 FGADHM Cc1sc(NC(=O)N(CCN(C)C)Cc2ccco2)c(C(=O)[O-])c1C ZINC000833037067 601791398 /nfs/dbraw/zinc/79/13/98/601791398.db2.gz URPZJPBOTCAGOR-UHFFFAOYSA-N -1 3 365.455 3.252 20 0 FGADHM O=C([O-])c1sccc1CN1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000833347771 601806149 /nfs/dbraw/zinc/80/61/49/601806149.db2.gz SDOJPBGZBFMFRX-UHFFFAOYSA-N -1 3 360.435 3.003 20 0 FGADHM O=C([O-])c1sccc1CN1CCC(NC(=O)CC2CCCC2)CC1 ZINC000833093997 601826269 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C[C@@H](NC(=O)Cc1coc2cc(F)ccc12)c1ccc(-c2nn[n-]n2)cc1 ZINC000820334797 606253968 /nfs/dbraw/zinc/25/39/68/606253968.db2.gz QICIRCUPJYXFKZ-LLVKDONJSA-N -1 3 365.368 3.172 20 0 FGADHM O=C(NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1)[C@H]1C[C@@H]1C1CC1 ZINC000823253767 606257322 /nfs/dbraw/zinc/25/73/22/606257322.db2.gz LTUUYQFTDCWHOZ-CABCVRRESA-N -1 3 365.462 3.258 20 0 FGADHM CC(C)c1ccc(OCC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000820192020 606262409 /nfs/dbraw/zinc/26/24/09/606262409.db2.gz DVTNOXZCRLEQBQ-UHFFFAOYSA-N -1 3 355.373 3.147 20 0 FGADHM CC(C)c1ccc(OCC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000820192020 606262410 /nfs/dbraw/zinc/26/24/10/606262410.db2.gz DVTNOXZCRLEQBQ-UHFFFAOYSA-N -1 3 355.373 3.147 20 0 FGADHM C[C@H]1C[C@@H]1NC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000820674554 606267602 /nfs/dbraw/zinc/26/76/02/606267602.db2.gz FFIBBSHXHHNJAO-NHYWBVRUSA-N -1 3 351.435 3.156 20 0 FGADHM C[C@H]1C[C@@H]1NC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000820674554 606267603 /nfs/dbraw/zinc/26/76/03/606267603.db2.gz FFIBBSHXHHNJAO-NHYWBVRUSA-N -1 3 351.435 3.156 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)c1cc(Br)cs1 ZINC000823343958 606273659 /nfs/dbraw/zinc/27/36/59/606273659.db2.gz MCTGFINDPHOMGA-UHFFFAOYSA-N -1 3 368.191 3.082 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)c1cc(Br)cs1 ZINC000823343958 606273660 /nfs/dbraw/zinc/27/36/60/606273660.db2.gz MCTGFINDPHOMGA-UHFFFAOYSA-N -1 3 368.191 3.082 20 0 FGADHM CCCCCN(Cc1ccc(F)cc1)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000821056415 606277370 /nfs/dbraw/zinc/27/73/70/606277370.db2.gz QVZIWXFIYRXQDR-UHFFFAOYSA-N -1 3 356.405 3.167 20 0 FGADHM CCCCCN(Cc1ccc(F)cc1)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000821056415 606277371 /nfs/dbraw/zinc/27/73/71/606277371.db2.gz QVZIWXFIYRXQDR-UHFFFAOYSA-N -1 3 356.405 3.167 20 0 FGADHM O=C(Nc1cnoc1)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000823375989 606319254 /nfs/dbraw/zinc/31/92/54/606319254.db2.gz TVQUERWNJUYCJY-UHFFFAOYSA-N -1 3 364.390 3.258 20 0 FGADHM O=C(Nc1cnoc1)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000823375989 606319257 /nfs/dbraw/zinc/31/92/57/606319257.db2.gz TVQUERWNJUYCJY-UHFFFAOYSA-N -1 3 364.390 3.258 20 0 FGADHM C[C@@H](CNC(=O)[C@H](C)Sc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000820556092 606325307 /nfs/dbraw/zinc/32/53/07/606325307.db2.gz RKFJTHACLWPGTM-KBPBESRZSA-N -1 3 367.478 3.267 20 0 FGADHM C[C@@H](CNC(=O)[C@H](C)Sc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000820556092 606325308 /nfs/dbraw/zinc/32/53/08/606325308.db2.gz RKFJTHACLWPGTM-KBPBESRZSA-N -1 3 367.478 3.267 20 0 FGADHM c1ccc(Cc2nc(CSc3cccc(-c4nnn[n-]4)c3)no2)cc1 ZINC000823787646 606326873 /nfs/dbraw/zinc/32/68/73/606326873.db2.gz OGESSNDMQXWYIS-UHFFFAOYSA-N -1 3 350.407 3.133 20 0 FGADHM c1ccc(Cc2nc(CSc3cccc(-c4nn[n-]n4)c3)no2)cc1 ZINC000823787646 606326875 /nfs/dbraw/zinc/32/68/75/606326875.db2.gz OGESSNDMQXWYIS-UHFFFAOYSA-N -1 3 350.407 3.133 20 0 FGADHM Cc1ccc(OCC(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c(C)c1 ZINC000822263537 606339907 /nfs/dbraw/zinc/33/99/07/606339907.db2.gz RVAPHONLPSPHKG-AWEZNQCLSA-N -1 3 352.394 3.167 20 0 FGADHM Cc1ccc(OCC(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c(C)c1 ZINC000822263537 606339908 /nfs/dbraw/zinc/33/99/08/606339908.db2.gz RVAPHONLPSPHKG-AWEZNQCLSA-N -1 3 352.394 3.167 20 0 FGADHM C[C@H](OC(=O)C[C@@H]1CCOc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000820488355 606347687 /nfs/dbraw/zinc/34/76/87/606347687.db2.gz MYRDZMVHNSZYQJ-BBRMVZONSA-N -1 3 364.405 3.427 20 0 FGADHM C[C@H](OC(=O)C[C@@H]1CCOc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000820488355 606347688 /nfs/dbraw/zinc/34/76/88/606347688.db2.gz MYRDZMVHNSZYQJ-BBRMVZONSA-N -1 3 364.405 3.427 20 0 FGADHM COc1ccccc1C(C)(C)C(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821882900 606348327 /nfs/dbraw/zinc/34/83/27/606348327.db2.gz NCDRTRSOABYXFY-ZDUSSCGKSA-N -1 3 366.421 3.457 20 0 FGADHM COc1ccccc1C(C)(C)C(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821882900 606348329 /nfs/dbraw/zinc/34/83/29/606348329.db2.gz NCDRTRSOABYXFY-ZDUSSCGKSA-N -1 3 366.421 3.457 20 0 FGADHM CCN(C(=O)Nc1ccc(F)cc1-c1nnn[n-]1)[C@H](C)c1cccc(O)c1 ZINC000821153457 606350946 /nfs/dbraw/zinc/35/09/46/606350946.db2.gz CKWKNABTOJMYEO-LLVKDONJSA-N -1 3 370.388 3.326 20 0 FGADHM CCN(C(=O)Nc1ccc(F)cc1-c1nn[n-]n1)[C@H](C)c1cccc(O)c1 ZINC000821153457 606350947 /nfs/dbraw/zinc/35/09/47/606350947.db2.gz CKWKNABTOJMYEO-LLVKDONJSA-N -1 3 370.388 3.326 20 0 FGADHM CC[C@](C)(NC(=O)Nc1ccc(F)cc1-c1nnn[n-]1)c1ccccc1 ZINC000820854505 606352727 /nfs/dbraw/zinc/35/27/27/606352727.db2.gz WLEWYAWUCARTRP-SFHVURJKSA-N -1 3 354.389 3.453 20 0 FGADHM CC[C@](C)(NC(=O)Nc1ccc(F)cc1-c1nn[n-]n1)c1ccccc1 ZINC000820854505 606352728 /nfs/dbraw/zinc/35/27/28/606352728.db2.gz WLEWYAWUCARTRP-SFHVURJKSA-N -1 3 354.389 3.453 20 0 FGADHM Cc1c(C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cnn1-c1ccccc1 ZINC000822021001 606353528 /nfs/dbraw/zinc/35/35/28/606353528.db2.gz QZICBOJBMBJBRW-CQSZACIVSA-N -1 3 374.404 3.279 20 0 FGADHM Cc1c(C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cnn1-c1ccccc1 ZINC000822021001 606353529 /nfs/dbraw/zinc/35/35/29/606353529.db2.gz QZICBOJBMBJBRW-CQSZACIVSA-N -1 3 374.404 3.279 20 0 FGADHM Cc1cc(C(=O)Oc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)no1 ZINC000822184596 606361400 /nfs/dbraw/zinc/36/14/00/606361400.db2.gz XRDPUIQUXSXNPS-UHFFFAOYSA-N -1 3 363.333 3.175 20 0 FGADHM Cc1cc(C(=O)Oc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)no1 ZINC000822184596 606361401 /nfs/dbraw/zinc/36/14/01/606361401.db2.gz XRDPUIQUXSXNPS-UHFFFAOYSA-N -1 3 363.333 3.175 20 0 FGADHM O=C(CCc1ccc(Br)cc1)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000822977961 606373126 /nfs/dbraw/zinc/37/31/26/606373126.db2.gz DCAPFFGCVXAEBS-UHFFFAOYSA-N -1 3 373.210 3.167 20 0 FGADHM O=C(CCc1ccc(Br)cc1)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000822977961 606373128 /nfs/dbraw/zinc/37/31/28/606373128.db2.gz DCAPFFGCVXAEBS-UHFFFAOYSA-N -1 3 373.210 3.167 20 0 FGADHM CCN1C(=O)c2ccc(Cl)cc2N[C@H]1c1ccc(-c2nnn[n-]2)s1 ZINC000821243196 606393222 /nfs/dbraw/zinc/39/32/22/606393222.db2.gz ZWHSPIXQZMEABY-CQSZACIVSA-N -1 3 360.830 3.168 20 0 FGADHM Cc1nn(C(C)(C)C)c(C)c1C(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000822486627 606396820 /nfs/dbraw/zinc/39/68/20/606396820.db2.gz QSYTVYCEYBBAAA-CYBMUJFWSA-N -1 3 368.441 3.353 20 0 FGADHM Cc1nn(C(C)(C)C)c(C)c1C(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000822486627 606396821 /nfs/dbraw/zinc/39/68/21/606396821.db2.gz QSYTVYCEYBBAAA-CYBMUJFWSA-N -1 3 368.441 3.353 20 0 FGADHM Fc1ccc(NCc2c(F)cccc2OC(F)F)c(-c2nnn[n-]2)c1 ZINC000822782890 606420605 /nfs/dbraw/zinc/42/06/05/606420605.db2.gz KVZIOIWWORNQMU-UHFFFAOYSA-N -1 3 353.279 3.358 20 0 FGADHM Fc1ccc(NCc2c(F)cccc2OC(F)F)c(-c2nn[n-]n2)c1 ZINC000822782890 606420607 /nfs/dbraw/zinc/42/06/07/606420607.db2.gz KVZIOIWWORNQMU-UHFFFAOYSA-N -1 3 353.279 3.358 20 0 FGADHM Cc1cc([C@@H](C)NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)ccc1F ZINC000822191986 606442472 /nfs/dbraw/zinc/44/24/72/606442472.db2.gz WFORUUVJVSSZNV-QWHCGFSZSA-N -1 3 368.416 3.436 20 0 FGADHM Cc1cc([C@@H](C)NC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)ccc1F ZINC000822191986 606442474 /nfs/dbraw/zinc/44/24/74/606442474.db2.gz WFORUUVJVSSZNV-QWHCGFSZSA-N -1 3 368.416 3.436 20 0 FGADHM Cc1cccc(NCc2cccc(-c3nnn[n-]3)c2)c1C(=O)N1CCCC1 ZINC000822324263 606449127 /nfs/dbraw/zinc/44/91/27/606449127.db2.gz YHYDXEXYYQLQJT-UHFFFAOYSA-N -1 3 362.437 3.023 20 0 FGADHM Cc1cccc(NCc2cccc(-c3nn[n-]n3)c2)c1C(=O)N1CCCC1 ZINC000822324263 606449129 /nfs/dbraw/zinc/44/91/29/606449129.db2.gz YHYDXEXYYQLQJT-UHFFFAOYSA-N -1 3 362.437 3.023 20 0 FGADHM Cc1cnn(-c2ccc(NCc3cc(-c4nnn[n-]4)ccc3F)cc2F)c1 ZINC000822403551 606460667 /nfs/dbraw/zinc/46/06/67/606460667.db2.gz RDBOZNMQSZBVGK-UHFFFAOYSA-N -1 3 367.363 3.251 20 0 FGADHM Cc1cnn(-c2ccc(NCc3cc(-c4nn[n-]n4)ccc3F)cc2F)c1 ZINC000822403551 606460668 /nfs/dbraw/zinc/46/06/68/606460668.db2.gz RDBOZNMQSZBVGK-UHFFFAOYSA-N -1 3 367.363 3.251 20 0 FGADHM COc1ccc2ccc(OC(=O)c3cc(-c4nnn[n-]4)cs3)cc2c1 ZINC000821854717 606461521 /nfs/dbraw/zinc/46/15/21/606461521.db2.gz SJUJLNBMDIQESB-UHFFFAOYSA-N -1 3 352.375 3.309 20 0 FGADHM COc1ccc2ccc(OC(=O)c3cc(-c4nn[n-]n4)cs3)cc2c1 ZINC000821854717 606461523 /nfs/dbraw/zinc/46/15/23/606461523.db2.gz SJUJLNBMDIQESB-UHFFFAOYSA-N -1 3 352.375 3.309 20 0 FGADHM O=C(Oc1cccc(OCC(F)(F)F)c1)c1cc(-c2nnn[n-]2)cs1 ZINC000823453889 606465751 /nfs/dbraw/zinc/46/57/51/606465751.db2.gz DGMVRQQGJLHAOQ-UHFFFAOYSA-N -1 3 370.312 3.089 20 0 FGADHM O=C(Oc1cccc(OCC(F)(F)F)c1)c1cc(-c2nn[n-]n2)cs1 ZINC000823453889 606465752 /nfs/dbraw/zinc/46/57/52/606465752.db2.gz DGMVRQQGJLHAOQ-UHFFFAOYSA-N -1 3 370.312 3.089 20 0 FGADHM Cc1ccccc1[C@H]1CN(c2ncc(-c3nnn[n-]3)cc2Cl)[C@@H](C)CO1 ZINC000822350790 606476300 /nfs/dbraw/zinc/47/63/00/606476300.db2.gz HDUVKBOPWLAVGK-BLLLJJGKSA-N -1 3 370.844 3.190 20 0 FGADHM Cc1ccccc1[C@H]1CN(c2ncc(-c3nn[n-]n3)cc2Cl)[C@@H](C)CO1 ZINC000822350790 606476302 /nfs/dbraw/zinc/47/63/02/606476302.db2.gz HDUVKBOPWLAVGK-BLLLJJGKSA-N -1 3 370.844 3.190 20 0 FGADHM O=C(Nc1nc2ccc(Cl)cc2s1)c1cc(-c2nnn[n-]2)cs1 ZINC000823380167 606479521 /nfs/dbraw/zinc/47/95/21/606479521.db2.gz RMFZCFJPFSEOBB-UHFFFAOYSA-N -1 3 362.827 3.444 20 0 FGADHM O=C(Nc1nc2ccc(Cl)cc2s1)c1cc(-c2nn[n-]n2)cs1 ZINC000823380167 606479523 /nfs/dbraw/zinc/47/95/23/606479523.db2.gz RMFZCFJPFSEOBB-UHFFFAOYSA-N -1 3 362.827 3.444 20 0 FGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N(CCC(F)(F)F)CC1CC1 ZINC000823359582 606480422 /nfs/dbraw/zinc/48/04/22/606480422.db2.gz QGHSDUDDNQQUKA-UHFFFAOYSA-N -1 3 354.336 3.063 20 0 FGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N(CCC(F)(F)F)CC1CC1 ZINC000823359582 606480424 /nfs/dbraw/zinc/48/04/24/606480424.db2.gz QGHSDUDDNQQUKA-UHFFFAOYSA-N -1 3 354.336 3.063 20 0 FGADHM C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820570301 606483303 /nfs/dbraw/zinc/48/33/03/606483303.db2.gz GQTBSPLTVDYJFL-SECBINFHSA-N -1 3 370.463 3.371 20 0 FGADHM C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820570301 606483305 /nfs/dbraw/zinc/48/33/05/606483305.db2.gz GQTBSPLTVDYJFL-SECBINFHSA-N -1 3 370.463 3.371 20 0 FGADHM O=C(NCC1(c2ccccc2)CCCC1)c1cc(-c2nnn[n-]2)cs1 ZINC000823171226 606486040 /nfs/dbraw/zinc/48/60/40/606486040.db2.gz RCLVIUQKEARXTN-UHFFFAOYSA-N -1 3 353.451 3.170 20 0 FGADHM O=C(NCC1(c2ccccc2)CCCC1)c1cc(-c2nn[n-]n2)cs1 ZINC000823171226 606486041 /nfs/dbraw/zinc/48/60/41/606486041.db2.gz RCLVIUQKEARXTN-UHFFFAOYSA-N -1 3 353.451 3.170 20 0 FGADHM O=C(N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1)C1(Cc2ccccc2)CC1 ZINC000823139685 606491324 /nfs/dbraw/zinc/49/13/24/606491324.db2.gz JLQXCUXNXAWWMO-UHFFFAOYSA-N -1 3 373.460 3.381 20 0 FGADHM O=C(N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1)C1(Cc2ccccc2)CC1 ZINC000823139685 606491325 /nfs/dbraw/zinc/49/13/25/606491325.db2.gz JLQXCUXNXAWWMO-UHFFFAOYSA-N -1 3 373.460 3.381 20 0 FGADHM CCCCOc1ccc(CCNC(=O)c2cc(-c3nnn[n-]3)cs2)cc1 ZINC000821077331 606494027 /nfs/dbraw/zinc/49/40/27/606494027.db2.gz AUPPFBRWDPLHRF-UHFFFAOYSA-N -1 3 371.466 3.080 20 0 FGADHM CCCCOc1ccc(CCNC(=O)c2cc(-c3nn[n-]n3)cs2)cc1 ZINC000821077331 606494029 /nfs/dbraw/zinc/49/40/29/606494029.db2.gz AUPPFBRWDPLHRF-UHFFFAOYSA-N -1 3 371.466 3.080 20 0 FGADHM C[C@@H](CC(C)(C)c1ccccc1)NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820227165 606498192 /nfs/dbraw/zinc/49/81/92/606498192.db2.gz ZHQPJRAKUOGAHW-LBPRGKRZSA-N -1 3 355.467 3.414 20 0 FGADHM C[C@@H](CC(C)(C)c1ccccc1)NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820227165 606498193 /nfs/dbraw/zinc/49/81/93/606498193.db2.gz ZHQPJRAKUOGAHW-LBPRGKRZSA-N -1 3 355.467 3.414 20 0 FGADHM Cc1csc([C@@H]2CCCCN2C(=O)c2cc(-c3nnn[n-]3)cs2)n1 ZINC000822409329 606506351 /nfs/dbraw/zinc/50/63/51/606506351.db2.gz QADFPUAAMVKQSG-NSHDSACASA-N -1 3 360.468 3.061 20 0 FGADHM Cc1csc([C@@H]2CCCCN2C(=O)c2cc(-c3nn[n-]n3)cs2)n1 ZINC000822409329 606506354 /nfs/dbraw/zinc/50/63/54/606506354.db2.gz QADFPUAAMVKQSG-NSHDSACASA-N -1 3 360.468 3.061 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1cccnc1Oc1ccccc1 ZINC000823109203 606509321 /nfs/dbraw/zinc/50/93/21/606509321.db2.gz ZVMFXHGFIFCBOH-UHFFFAOYSA-N -1 3 372.388 3.235 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1cccnc1Oc1ccccc1 ZINC000823109203 606509323 /nfs/dbraw/zinc/50/93/23/606509323.db2.gz ZVMFXHGFIFCBOH-UHFFFAOYSA-N -1 3 372.388 3.235 20 0 FGADHM O=C(c1cc(-c2nnn[n-]2)cs1)N1CCCc2c(Cl)ccc(F)c21 ZINC000823472603 606511675 /nfs/dbraw/zinc/51/16/75/606511675.db2.gz SDWRPBHBFJRTAF-UHFFFAOYSA-N -1 3 363.805 3.314 20 0 FGADHM O=C(c1cc(-c2nn[n-]n2)cs1)N1CCCc2c(Cl)ccc(F)c21 ZINC000823472603 606511677 /nfs/dbraw/zinc/51/16/77/606511677.db2.gz SDWRPBHBFJRTAF-UHFFFAOYSA-N -1 3 363.805 3.314 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)NC1(c2ccc(Cl)cc2)CCC1 ZINC000823092772 606533375 /nfs/dbraw/zinc/53/33/75/606533375.db2.gz KLWOHNYNKDLOOI-UHFFFAOYSA-N -1 3 367.840 3.258 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)NC1(c2ccc(Cl)cc2)CCC1 ZINC000823092772 606533376 /nfs/dbraw/zinc/53/33/76/606533376.db2.gz KLWOHNYNKDLOOI-UHFFFAOYSA-N -1 3 367.840 3.258 20 0 FGADHM CC[C@@H](NC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)s1 ZINC000820913316 606563264 /nfs/dbraw/zinc/56/32/64/606563264.db2.gz FKJQLYAURMJDNT-GFCCVEGCSA-N -1 3 361.858 3.392 20 0 FGADHM CC[C@@H](NC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)s1 ZINC000820913316 606563265 /nfs/dbraw/zinc/56/32/65/606563265.db2.gz FKJQLYAURMJDNT-GFCCVEGCSA-N -1 3 361.858 3.392 20 0 FGADHM Cc1cc(C)cc(OCCCOC(=O)c2cc(-c3nnn[n-]3)cs2)c1 ZINC000822197887 606568977 /nfs/dbraw/zinc/56/89/77/606568977.db2.gz SSPMGDODIKKVOK-UHFFFAOYSA-N -1 3 358.423 3.171 20 0 FGADHM Cc1cc(C)cc(OCCCOC(=O)c2cc(-c3nn[n-]n3)cs2)c1 ZINC000822197887 606568978 /nfs/dbraw/zinc/56/89/78/606568978.db2.gz SSPMGDODIKKVOK-UHFFFAOYSA-N -1 3 358.423 3.171 20 0 FGADHM CC(=Cc1ccc(F)cc1)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000819765982 606578156 /nfs/dbraw/zinc/57/81/56/606578156.db2.gz UAVALDYZMVESKF-UKVQZPPCSA-N -1 3 351.385 3.287 20 0 FGADHM CC(=Cc1ccc(F)cc1)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000819765982 606578158 /nfs/dbraw/zinc/57/81/58/606578158.db2.gz UAVALDYZMVESKF-UKVQZPPCSA-N -1 3 351.385 3.287 20 0 FGADHM C[C@@H]1CCN(C(=O)Cc2cccc(-c3nnn[n-]3)c2)[C@@H](c2ccco2)C1 ZINC000820717413 606579127 /nfs/dbraw/zinc/57/91/27/606579127.db2.gz QOZKYFAXVNJKMH-CZUORRHYSA-N -1 3 351.410 3.002 20 0 FGADHM C[C@@H]1CCN(C(=O)Cc2cccc(-c3nn[n-]n3)c2)[C@@H](c2ccco2)C1 ZINC000820717413 606579128 /nfs/dbraw/zinc/57/91/28/606579128.db2.gz QOZKYFAXVNJKMH-CZUORRHYSA-N -1 3 351.410 3.002 20 0 FGADHM CO[C@@H](C)c1nc(CNc2nc3ccccc3cc2-c2nnn[n-]2)cs1 ZINC000821675563 606593439 /nfs/dbraw/zinc/59/34/39/606593439.db2.gz OJBFSCLFTSQUEP-JTQLQIEISA-N -1 3 367.438 3.191 20 0 FGADHM CO[C@@H](C)c1nc(CNc2nc3ccccc3cc2-c2nn[n-]n2)cs1 ZINC000821675563 606593440 /nfs/dbraw/zinc/59/34/40/606593440.db2.gz OJBFSCLFTSQUEP-JTQLQIEISA-N -1 3 367.438 3.191 20 0 FGADHM O=C(Nc1ccc(CCC(F)(F)F)cc1)c1ccc(-c2nnn[n-]2)cn1 ZINC000823323402 606605528 /nfs/dbraw/zinc/60/55/28/606605528.db2.gz MWPSRLQLTNISDN-UHFFFAOYSA-N -1 3 362.315 3.009 20 0 FGADHM O=C(Nc1ccc(CCC(F)(F)F)cc1)c1ccc(-c2nn[n-]n2)cn1 ZINC000823323402 606605529 /nfs/dbraw/zinc/60/55/29/606605529.db2.gz MWPSRLQLTNISDN-UHFFFAOYSA-N -1 3 362.315 3.009 20 0 FGADHM CC[C@H](C)NC(=O)[C@H](C)Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000820876725 606614481 /nfs/dbraw/zinc/61/44/81/606614481.db2.gz SUDREFLMWOLILL-KBPBESRZSA-N -1 3 365.437 3.216 20 0 FGADHM CC[C@H](C)NC(=O)[C@H](C)Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000820876725 606614482 /nfs/dbraw/zinc/61/44/82/606614482.db2.gz SUDREFLMWOLILL-KBPBESRZSA-N -1 3 365.437 3.216 20 0 FGADHM Clc1cccc(Cc2noc(Cc3cccc(-c4nnn[n-]4)c3)n2)c1 ZINC000822585696 606620432 /nfs/dbraw/zinc/62/04/32/606620432.db2.gz LGRIEAQXFBTKIO-UHFFFAOYSA-N -1 3 352.785 3.085 20 0 FGADHM Clc1cccc(Cc2noc(Cc3cccc(-c4nn[n-]n4)c3)n2)c1 ZINC000822585696 606620434 /nfs/dbraw/zinc/62/04/34/606620434.db2.gz LGRIEAQXFBTKIO-UHFFFAOYSA-N -1 3 352.785 3.085 20 0 FGADHM O=C(C1CC(F)(F)C1)N(Cc1ccccc1)c1ccccc1-c1nnn[n-]1 ZINC000822912255 606622568 /nfs/dbraw/zinc/62/25/68/606622568.db2.gz SRNHNYDVOITGLP-UHFFFAOYSA-N -1 3 369.375 3.445 20 0 FGADHM O=C(C1CC(F)(F)C1)N(Cc1ccccc1)c1ccccc1-c1nn[n-]n1 ZINC000822912255 606622569 /nfs/dbraw/zinc/62/25/69/606622569.db2.gz SRNHNYDVOITGLP-UHFFFAOYSA-N -1 3 369.375 3.445 20 0 FGADHM CC[C@@H](C)Oc1ccc(C(=O)N(C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000820876930 606627604 /nfs/dbraw/zinc/62/76/04/606627604.db2.gz WPNQDBIIOQHYKN-CYBMUJFWSA-N -1 3 351.410 3.321 20 0 FGADHM CC[C@@H](C)Oc1ccc(C(=O)N(C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000820876930 606627605 /nfs/dbraw/zinc/62/76/05/606627605.db2.gz WPNQDBIIOQHYKN-CYBMUJFWSA-N -1 3 351.410 3.321 20 0 FGADHM C[C@@H]1CCCC[C@@H]1NC(=O)CSc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000820703352 606630404 /nfs/dbraw/zinc/63/04/04/606630404.db2.gz DXAURVPELIFKSI-MFKMUULPSA-N -1 3 365.890 3.307 20 0 FGADHM C[C@@H]1CCCC[C@@H]1NC(=O)CSc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000820703352 606630406 /nfs/dbraw/zinc/63/04/06/606630406.db2.gz DXAURVPELIFKSI-MFKMUULPSA-N -1 3 365.890 3.307 20 0 FGADHM COc1ccc([C@@H](C)CC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC)cc1 ZINC000821777651 606630611 /nfs/dbraw/zinc/63/06/11/606630611.db2.gz KGCLUAVRDMGQOH-LBPRGKRZSA-N -1 3 367.409 3.016 20 0 FGADHM COc1ccc([C@@H](C)CC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC)cc1 ZINC000821777651 606630612 /nfs/dbraw/zinc/63/06/12/606630612.db2.gz KGCLUAVRDMGQOH-LBPRGKRZSA-N -1 3 367.409 3.016 20 0 FGADHM C[C@@H](c1ccco1)N(C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)C1CC1 ZINC000820570383 606657961 /nfs/dbraw/zinc/65/79/61/606657961.db2.gz ITPWRMJOHSMQMW-JTQLQIEISA-N -1 3 356.361 3.356 20 0 FGADHM C[C@@H](c1ccco1)N(C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)C1CC1 ZINC000820570383 606657962 /nfs/dbraw/zinc/65/79/62/606657962.db2.gz ITPWRMJOHSMQMW-JTQLQIEISA-N -1 3 356.361 3.356 20 0 FGADHM CCC[C@@H](NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000821020326 606665959 /nfs/dbraw/zinc/66/59/59/606665959.db2.gz ARLHKMUWKARVOD-OAHLLOKOSA-N -1 3 357.364 3.416 20 0 FGADHM CCC[C@@H](NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000821020326 606665960 /nfs/dbraw/zinc/66/59/60/606665960.db2.gz ARLHKMUWKARVOD-OAHLLOKOSA-N -1 3 357.364 3.416 20 0 FGADHM CN(C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)[C@@H]1CCCc2ccccc21 ZINC000821571799 606666347 /nfs/dbraw/zinc/66/63/47/606666347.db2.gz FXLRDRMGRHTPRY-MRXNPFEDSA-N -1 3 369.375 3.295 20 0 FGADHM CN(C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)[C@@H]1CCCc2ccccc21 ZINC000821571799 606666348 /nfs/dbraw/zinc/66/63/48/606666348.db2.gz FXLRDRMGRHTPRY-MRXNPFEDSA-N -1 3 369.375 3.295 20 0 FGADHM O=C(c1c(F)cc(-c2nnn[n-]2)cc1F)N1CCCSc2ccccc21 ZINC000823455253 606666647 /nfs/dbraw/zinc/66/66/47/606666647.db2.gz ZHUMKVKSMGABHW-UHFFFAOYSA-N -1 3 373.388 3.288 20 0 FGADHM O=C(c1c(F)cc(-c2nn[n-]n2)cc1F)N1CCCSc2ccccc21 ZINC000823455253 606666648 /nfs/dbraw/zinc/66/66/48/606666648.db2.gz ZHUMKVKSMGABHW-UHFFFAOYSA-N -1 3 373.388 3.288 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Cc1ccc(F)cc1F ZINC000821104987 606667810 /nfs/dbraw/zinc/66/78/10/606667810.db2.gz ULUSNJLBFLMQQG-UHFFFAOYSA-N -1 3 371.391 3.126 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Cc1ccc(F)cc1F ZINC000821104987 606667811 /nfs/dbraw/zinc/66/78/11/606667811.db2.gz ULUSNJLBFLMQQG-UHFFFAOYSA-N -1 3 371.391 3.126 20 0 FGADHM Cc1ccc([C@@H](C)NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1C ZINC000822228859 606667962 /nfs/dbraw/zinc/66/79/62/606667962.db2.gz HEQUJLRMHVHUDF-LLVKDONJSA-N -1 3 357.364 3.253 20 0 FGADHM Cc1ccc([C@@H](C)NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1C ZINC000822228859 606667963 /nfs/dbraw/zinc/66/79/63/606667963.db2.gz HEQUJLRMHVHUDF-LLVKDONJSA-N -1 3 357.364 3.253 20 0 FGADHM C[C@H](c1ccccc1F)N(C)C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820570337 606669126 /nfs/dbraw/zinc/66/91/26/606669126.db2.gz HQLCOKFNFVFZPF-SECBINFHSA-N -1 3 361.327 3.117 20 0 FGADHM C[C@H](c1ccccc1F)N(C)C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820570337 606669127 /nfs/dbraw/zinc/66/91/27/606669127.db2.gz HQLCOKFNFVFZPF-SECBINFHSA-N -1 3 361.327 3.117 20 0 FGADHM Cc1ccc([C@H](C)NC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1F ZINC000822229163 606670814 /nfs/dbraw/zinc/67/08/14/606670814.db2.gz OCTYWKUVZMPKBA-NSHDSACASA-N -1 3 372.379 3.014 20 0 FGADHM Cc1ccc([C@H](C)NC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1F ZINC000822229163 606670815 /nfs/dbraw/zinc/67/08/15/606670815.db2.gz OCTYWKUVZMPKBA-NSHDSACASA-N -1 3 372.379 3.014 20 0 FGADHM C[C@@H]1CCN(C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)[C@H]2CCCC[C@@H]12 ZINC000820715688 606672009 /nfs/dbraw/zinc/67/20/09/606672009.db2.gz CILXSMPONYGWRY-GMXABZIVSA-N -1 3 361.396 3.186 20 0 FGADHM C[C@@H]1CCN(C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)[C@H]2CCCC[C@@H]12 ZINC000820715688 606672010 /nfs/dbraw/zinc/67/20/10/606672010.db2.gz CILXSMPONYGWRY-GMXABZIVSA-N -1 3 361.396 3.186 20 0 FGADHM C[C@]1(C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)cc2)CCCO1 ZINC000820577169 606672567 /nfs/dbraw/zinc/67/25/67/606672567.db2.gz LYHWXQCABXOCCD-LJQANCHMSA-N -1 3 365.393 3.167 20 0 FGADHM C[C@]1(C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)cc2)CCCO1 ZINC000820577169 606672568 /nfs/dbraw/zinc/67/25/68/606672568.db2.gz LYHWXQCABXOCCD-LJQANCHMSA-N -1 3 365.393 3.167 20 0 FGADHM C[C@@]1(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCCC3)CCCO1 ZINC000820577347 606673279 /nfs/dbraw/zinc/67/32/79/606673279.db2.gz OXYILWFUTWVHRZ-KRWDZBQOSA-N -1 3 361.471 3.095 20 0 FGADHM C[C@@]1(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCCC3)CCCO1 ZINC000820577347 606673280 /nfs/dbraw/zinc/67/32/80/606673280.db2.gz OXYILWFUTWVHRZ-KRWDZBQOSA-N -1 3 361.471 3.095 20 0 FGADHM CCCOc1ccc(COC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1 ZINC000821134021 606674292 /nfs/dbraw/zinc/67/42/92/606674292.db2.gz KQNSFZAKLFHEQE-UHFFFAOYSA-N -1 3 374.347 3.291 20 0 FGADHM CCCOc1ccc(COC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1 ZINC000821134021 606674293 /nfs/dbraw/zinc/67/42/93/606674293.db2.gz KQNSFZAKLFHEQE-UHFFFAOYSA-N -1 3 374.347 3.291 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)CCc1cn(C)c2ccccc12 ZINC000822216068 606675497 /nfs/dbraw/zinc/67/54/97/606675497.db2.gz DREYRGIMZVCQMY-UHFFFAOYSA-N -1 3 360.421 3.238 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)CCc1cn(C)c2ccccc12 ZINC000822216068 606675498 /nfs/dbraw/zinc/67/54/98/606675498.db2.gz DREYRGIMZVCQMY-UHFFFAOYSA-N -1 3 360.421 3.238 20 0 FGADHM CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820073913 606676663 /nfs/dbraw/zinc/67/66/63/606676663.db2.gz XALSTPZRSSSTLA-NHYWBVRUSA-N -1 3 363.412 3.480 20 0 FGADHM CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820073913 606676664 /nfs/dbraw/zinc/67/66/64/606676664.db2.gz XALSTPZRSSSTLA-NHYWBVRUSA-N -1 3 363.412 3.480 20 0 FGADHM Cc1cc(C)c2c(c1)N(C(=O)c1c(F)cc(-c3nnn[n-]3)cc1F)CCC2 ZINC000822195020 606677003 /nfs/dbraw/zinc/67/70/03/606677003.db2.gz DOALKNSGWZHPQH-UHFFFAOYSA-N -1 3 369.375 3.355 20 0 FGADHM Cc1cc(C)c2c(c1)N(C(=O)c1c(F)cc(-c3nn[n-]n3)cc1F)CCC2 ZINC000822195020 606677004 /nfs/dbraw/zinc/67/70/04/606677004.db2.gz DOALKNSGWZHPQH-UHFFFAOYSA-N -1 3 369.375 3.355 20 0 FGADHM Cc1ccc(N(C)C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1Cl ZINC000822241030 606680400 /nfs/dbraw/zinc/68/04/00/606680400.db2.gz JDJAQJHAVOQWMM-UHFFFAOYSA-N -1 3 363.755 3.383 20 0 FGADHM Cc1ccc(N(C)C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1Cl ZINC000822241030 606680401 /nfs/dbraw/zinc/68/04/01/606680401.db2.gz JDJAQJHAVOQWMM-UHFFFAOYSA-N -1 3 363.755 3.383 20 0 FGADHM O=C(c1c(F)cc(-c2nnn[n-]2)cc1F)N(CC(F)F)c1ccccc1 ZINC000823454295 606686308 /nfs/dbraw/zinc/68/63/08/606686308.db2.gz MXGBAPKYCRBBGN-UHFFFAOYSA-N -1 3 365.290 3.057 20 0 FGADHM O=C(c1c(F)cc(-c2nn[n-]n2)cc1F)N(CC(F)F)c1ccccc1 ZINC000823454295 606686309 /nfs/dbraw/zinc/68/63/09/606686309.db2.gz MXGBAPKYCRBBGN-UHFFFAOYSA-N -1 3 365.290 3.057 20 0 FGADHM C[C@H](OC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1cc(F)cc(F)c1 ZINC000820488219 606686386 /nfs/dbraw/zinc/68/63/86/606686386.db2.gz MEYAFDAJIATRLG-MLRMMBSGSA-N -1 3 356.332 3.463 20 0 FGADHM C[C@H](OC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1cc(F)cc(F)c1 ZINC000820488219 606686387 /nfs/dbraw/zinc/68/63/87/606686387.db2.gz MEYAFDAJIATRLG-MLRMMBSGSA-N -1 3 356.332 3.463 20 0 FGADHM CCC[C@H](C)c1cc(NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)n[nH]1 ZINC000821014211 606696926 /nfs/dbraw/zinc/69/69/26/606696926.db2.gz BVGZHYFXOSMBQD-QMMMGPOBSA-N -1 3 361.356 3.024 20 0 FGADHM CCC[C@H](C)c1cc(NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)n[nH]1 ZINC000821014211 606696927 /nfs/dbraw/zinc/69/69/27/606696927.db2.gz BVGZHYFXOSMBQD-QMMMGPOBSA-N -1 3 361.356 3.024 20 0 FGADHM Cc1cc(C)cc(CSC[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822196578 606706528 /nfs/dbraw/zinc/70/65/28/606706528.db2.gz OGNMCPVDWZQGGF-KRWDZBQOSA-N -1 3 370.478 3.157 20 0 FGADHM O=C1[C@@H](Sc2ccccc2-c2nnn[n-]2)CCN1c1c(F)cccc1F ZINC000823511975 606706763 /nfs/dbraw/zinc/70/67/63/606706763.db2.gz JUHJEWWIWSHVTR-AWEZNQCLSA-N -1 3 373.388 3.043 20 0 FGADHM O=C1[C@@H](Sc2ccccc2-c2nn[n-]n2)CCN1c1c(F)cccc1F ZINC000823511975 606706764 /nfs/dbraw/zinc/70/67/64/606706764.db2.gz JUHJEWWIWSHVTR-AWEZNQCLSA-N -1 3 373.388 3.043 20 0 FGADHM CCOc1ccc(CNc2cc(-c3nnn[n-]3)ccc2OC(C)C)nc1 ZINC000821421600 606719956 /nfs/dbraw/zinc/71/99/56/606719956.db2.gz ADUKADBENHDKEQ-UHFFFAOYSA-N -1 3 354.414 3.060 20 0 FGADHM CCOc1ccc(CNc2cc(-c3nn[n-]n3)ccc2OC(C)C)nc1 ZINC000821421600 606719958 /nfs/dbraw/zinc/71/99/58/606719958.db2.gz ADUKADBENHDKEQ-UHFFFAOYSA-N -1 3 354.414 3.060 20 0 FGADHM FC(F)(F)c1ccc(N[C@@H]2CCC[C@H]3OCC[C@H]32)c(-c2nnn[n-]2)c1 ZINC000822723615 606727781 /nfs/dbraw/zinc/72/77/81/606727781.db2.gz HUFKTTWGHROWRL-ZKYQVNSYSA-N -1 3 353.348 3.255 20 0 FGADHM FC(F)(F)c1ccc(N[C@@H]2CCC[C@H]3OCC[C@H]32)c(-c2nn[n-]n2)c1 ZINC000822723615 606727783 /nfs/dbraw/zinc/72/77/83/606727783.db2.gz HUFKTTWGHROWRL-ZKYQVNSYSA-N -1 3 353.348 3.255 20 0 FGADHM CC[C@@H](OC1CCCCC1)C(=O)OCc1cc(-c2nnn[n-]2)ccc1F ZINC000820938245 606736256 /nfs/dbraw/zinc/73/62/56/606736256.db2.gz HSEHGRXZRUKSEQ-MRXNPFEDSA-N -1 3 362.405 3.177 20 0 FGADHM CC[C@@H](OC1CCCCC1)C(=O)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000820938245 606736258 /nfs/dbraw/zinc/73/62/58/606736258.db2.gz HSEHGRXZRUKSEQ-MRXNPFEDSA-N -1 3 362.405 3.177 20 0 FGADHM O=C(NC1(Cc2ccccc2)CCC1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823139877 606757568 /nfs/dbraw/zinc/75/75/68/606757568.db2.gz NERROCPERCVQCW-UHFFFAOYSA-N -1 3 369.375 3.040 20 0 FGADHM O=C(NC1(Cc2ccccc2)CCC1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823139877 606757570 /nfs/dbraw/zinc/75/75/70/606757570.db2.gz NERROCPERCVQCW-UHFFFAOYSA-N -1 3 369.375 3.040 20 0 FGADHM CC[C@H](C)NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000820875472 606773580 /nfs/dbraw/zinc/77/35/80/606773580.db2.gz AXBIKRQGNMICTC-ZDUSSCGKSA-N -1 3 351.410 3.496 20 0 FGADHM CC[C@H](C)NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000820875472 606773581 /nfs/dbraw/zinc/77/35/81/606773581.db2.gz AXBIKRQGNMICTC-ZDUSSCGKSA-N -1 3 351.410 3.496 20 0 FGADHM COC(=O)c1ccc(COc2cc(Cl)ccc2-c2nnn[n-]2)cc1F ZINC000821669334 606781009 /nfs/dbraw/zinc/78/10/09/606781009.db2.gz GYDBTAXATGXNED-UHFFFAOYSA-N -1 3 362.748 3.025 20 0 FGADHM COC(=O)c1ccc(COc2cc(Cl)ccc2-c2nn[n-]n2)cc1F ZINC000821669334 606781013 /nfs/dbraw/zinc/78/10/13/606781013.db2.gz GYDBTAXATGXNED-UHFFFAOYSA-N -1 3 362.748 3.025 20 0 FGADHM Cc1nc(COc2cc(Cl)ccc2-c2nnn[n-]2)nc2ccccc12 ZINC000822444657 606785550 /nfs/dbraw/zinc/78/55/50/606785550.db2.gz WSHSERRSPFBLSD-UHFFFAOYSA-N -1 3 352.785 3.351 20 0 FGADHM Cc1nc(COc2cc(Cl)ccc2-c2nn[n-]n2)nc2ccccc12 ZINC000822444657 606785551 /nfs/dbraw/zinc/78/55/51/606785551.db2.gz WSHSERRSPFBLSD-UHFFFAOYSA-N -1 3 352.785 3.351 20 0 FGADHM Clc1ccc(-c2nnn[n-]2)c(OCc2noc(-c3ccccc3)n2)c1 ZINC000822574714 606785588 /nfs/dbraw/zinc/78/55/88/606785588.db2.gz XZUCTMGQRMLGOB-UHFFFAOYSA-N -1 3 354.757 3.149 20 0 FGADHM Clc1ccc(-c2nn[n-]n2)c(OCc2noc(-c3ccccc3)n2)c1 ZINC000822574714 606785592 /nfs/dbraw/zinc/78/55/92/606785592.db2.gz XZUCTMGQRMLGOB-UHFFFAOYSA-N -1 3 354.757 3.149 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)ccc1OCc1nc2cc(F)ccc2o1 ZINC000821393832 606792072 /nfs/dbraw/zinc/79/20/72/606792072.db2.gz COAMAXCFLHFFCU-UHFFFAOYSA-N -1 3 355.329 3.125 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)ccc1OCc1nc2cc(F)ccc2o1 ZINC000821393832 606792074 /nfs/dbraw/zinc/79/20/74/606792074.db2.gz COAMAXCFLHFFCU-UHFFFAOYSA-N -1 3 355.329 3.125 20 0 FGADHM CCC(=O)COC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000820833461 606829954 /nfs/dbraw/zinc/82/99/54/606829954.db2.gz XUEAWSYBBMFVKM-UHFFFAOYSA-N -1 3 366.377 3.103 20 0 FGADHM CCC(=O)COC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000820833461 606829955 /nfs/dbraw/zinc/82/99/55/606829955.db2.gz XUEAWSYBBMFVKM-UHFFFAOYSA-N -1 3 366.377 3.103 20 0 FGADHM CC[C@H]1CCC[C@@H]1NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000820981774 606834413 /nfs/dbraw/zinc/83/44/13/606834413.db2.gz WXZYLTOIMNXNLA-ONGXEEELSA-N -1 3 366.372 3.168 20 0 FGADHM CC[C@H]1CCC[C@@H]1NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000820981774 606834415 /nfs/dbraw/zinc/83/44/15/606834415.db2.gz WXZYLTOIMNXNLA-ONGXEEELSA-N -1 3 366.372 3.168 20 0 FGADHM CC[C@@H]1CCC[C@H]1NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000820981773 606834424 /nfs/dbraw/zinc/83/44/24/606834424.db2.gz WXZYLTOIMNXNLA-MWLCHTKSSA-N -1 3 366.372 3.168 20 0 FGADHM CC[C@@H]1CCC[C@H]1NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000820981773 606834425 /nfs/dbraw/zinc/83/44/25/606834425.db2.gz WXZYLTOIMNXNLA-MWLCHTKSSA-N -1 3 366.372 3.168 20 0 FGADHM CCOc1cc(C)ccc1CNC(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000821395504 606834783 /nfs/dbraw/zinc/83/47/83/606834783.db2.gz YWEOMOKKXGEPCS-UHFFFAOYSA-N -1 3 366.425 3.204 20 0 FGADHM CCOc1cc(C)ccc1CNC(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000821395504 606834785 /nfs/dbraw/zinc/83/47/85/606834785.db2.gz YWEOMOKKXGEPCS-UHFFFAOYSA-N -1 3 366.425 3.204 20 0 FGADHM C[C@H](O)CCc1ccc(OCCCOc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000820473960 606836932 /nfs/dbraw/zinc/83/69/32/606836932.db2.gz ORJBINLUBLNJLO-HNNXBMFYSA-N -1 3 368.437 3.028 20 0 FGADHM C[C@H](O)CCc1ccc(OCCCOc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000820473960 606836934 /nfs/dbraw/zinc/83/69/34/606836934.db2.gz ORJBINLUBLNJLO-HNNXBMFYSA-N -1 3 368.437 3.028 20 0 FGADHM C[C@@H](Sc1ccc(-c2nnn[n-]2)cc1Cl)C(=O)NC1CCCCC1 ZINC000820549080 606852776 /nfs/dbraw/zinc/85/27/76/606852776.db2.gz JVEDFKDNEKVOGX-SNVBAGLBSA-N -1 3 365.890 3.450 20 0 FGADHM C[C@@H](Sc1ccc(-c2nn[n-]n2)cc1Cl)C(=O)NC1CCCCC1 ZINC000820549080 606852778 /nfs/dbraw/zinc/85/27/78/606852778.db2.gz JVEDFKDNEKVOGX-SNVBAGLBSA-N -1 3 365.890 3.450 20 0 FGADHM CC(=O)Nc1ccc(C)cc1NCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000819817393 606863140 /nfs/dbraw/zinc/86/31/40/606863140.db2.gz DMYSBDIWMSMGAH-UHFFFAOYSA-N -1 3 366.425 3.015 20 0 FGADHM CC(=O)Nc1ccc(C)cc1NCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000819817393 606863142 /nfs/dbraw/zinc/86/31/42/606863142.db2.gz DMYSBDIWMSMGAH-UHFFFAOYSA-N -1 3 366.425 3.015 20 0 FGADHM C[C@@H]1CC[C@H](C(=O)Nc2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)O1 ZINC000820675811 606874303 /nfs/dbraw/zinc/87/43/03/606874303.db2.gz KXTVLLYFNWVICB-SJKOYZFVSA-N -1 3 365.393 3.165 20 0 FGADHM C[C@@H]1CC[C@H](C(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)O1 ZINC000820675811 606874305 /nfs/dbraw/zinc/87/43/05/606874305.db2.gz KXTVLLYFNWVICB-SJKOYZFVSA-N -1 3 365.393 3.165 20 0 FGADHM CCS[C@@H]1CC[C@@H](N(C)C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)C1 ZINC000821449976 606905892 /nfs/dbraw/zinc/90/58/92/606905892.db2.gz YXNVVWUQOLGBJX-ZIAGYGMSSA-N -1 3 360.487 3.313 20 0 FGADHM CCS[C@@H]1CC[C@@H](N(C)C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)C1 ZINC000821449976 606905893 /nfs/dbraw/zinc/90/58/93/606905893.db2.gz YXNVVWUQOLGBJX-ZIAGYGMSSA-N -1 3 360.487 3.313 20 0 FGADHM CCS[C@H]1CC[C@H](N(C)C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)C1 ZINC000821449973 606906031 /nfs/dbraw/zinc/90/60/31/606906031.db2.gz YXNVVWUQOLGBJX-KBPBESRZSA-N -1 3 360.487 3.313 20 0 FGADHM CCS[C@H]1CC[C@H](N(C)C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)C1 ZINC000821449973 606906032 /nfs/dbraw/zinc/90/60/32/606906032.db2.gz YXNVVWUQOLGBJX-KBPBESRZSA-N -1 3 360.487 3.313 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCCC[C@@H]1CC(C)C ZINC000821762720 606906458 /nfs/dbraw/zinc/90/64/58/606906458.db2.gz PMKSJKNUUWLHNX-CQSZACIVSA-N -1 3 358.446 3.308 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCCC[C@@H]1CC(C)C ZINC000821762720 606906460 /nfs/dbraw/zinc/90/64/60/606906460.db2.gz PMKSJKNUUWLHNX-CQSZACIVSA-N -1 3 358.446 3.308 20 0 FGADHM CCCOC(=O)c1ccc(NCc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000821127272 606925044 /nfs/dbraw/zinc/92/50/44/606925044.db2.gz FLYYNLLFXAQKRA-UHFFFAOYSA-N -1 3 355.373 3.185 20 0 FGADHM CCCOC(=O)c1ccc(NCc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000821127272 606925045 /nfs/dbraw/zinc/92/50/45/606925045.db2.gz FLYYNLLFXAQKRA-UHFFFAOYSA-N -1 3 355.373 3.185 20 0 FGADHM CC(C)C(=O)Nc1cccc(NCc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000820010956 606926853 /nfs/dbraw/zinc/92/68/53/606926853.db2.gz FOWVABWQNBSGPZ-UHFFFAOYSA-N -1 3 354.389 3.212 20 0 FGADHM CC(C)C(=O)Nc1cccc(NCc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000820010956 606926854 /nfs/dbraw/zinc/92/68/54/606926854.db2.gz FOWVABWQNBSGPZ-UHFFFAOYSA-N -1 3 354.389 3.212 20 0 FGADHM CCOCc1cccc(Nc2nnc(CC)c(CC)c2-c2nnn[n-]2)c1 ZINC000821383888 606928640 /nfs/dbraw/zinc/92/86/40/606928640.db2.gz JUUZODZGSYQIKX-UHFFFAOYSA-N -1 3 353.430 3.062 20 0 FGADHM CCOCc1cccc(Nc2nnc(CC)c(CC)c2-c2nn[n-]n2)c1 ZINC000821383888 606928641 /nfs/dbraw/zinc/92/86/41/606928641.db2.gz JUUZODZGSYQIKX-UHFFFAOYSA-N -1 3 353.430 3.062 20 0 FGADHM Cc1ccnc(-c2ccc(NCc3ccc(F)c(-c4nnn[n-]4)c3)cc2)n1 ZINC000822374416 606929900 /nfs/dbraw/zinc/92/99/00/606929900.db2.gz VVHVDXSLGGZDCO-UHFFFAOYSA-N -1 3 361.384 3.383 20 0 FGADHM Cc1ccnc(-c2ccc(NCc3ccc(F)c(-c4nn[n-]n4)c3)cc2)n1 ZINC000822374416 606929901 /nfs/dbraw/zinc/92/99/01/606929901.db2.gz VVHVDXSLGGZDCO-UHFFFAOYSA-N -1 3 361.384 3.383 20 0 FGADHM COc1cc(F)c(NCCCOc2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000821720811 606931396 /nfs/dbraw/zinc/93/13/96/606931396.db2.gz XWUZHBKUUQTPFG-UHFFFAOYSA-N -1 3 361.352 3.035 20 0 FGADHM CC(C)C1CCC(NC(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000820358235 606931570 /nfs/dbraw/zinc/93/15/70/606931570.db2.gz LQLJKFDPPBNYAU-CBCUQQMYSA-N -1 3 356.474 3.442 20 0 FGADHM CC(C)C1CCC(NC(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000820358235 606931572 /nfs/dbraw/zinc/93/15/72/606931572.db2.gz LQLJKFDPPBNYAU-CBCUQQMYSA-N -1 3 356.474 3.442 20 0 FGADHM CC(C)C1CCC(NC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000820037294 606932614 /nfs/dbraw/zinc/93/26/14/606932614.db2.gz BSNJQXCZDFTBIP-UHFFFAOYSA-N -1 3 360.437 3.020 20 0 FGADHM CC(C)C1CCC(NC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000820037294 606932615 /nfs/dbraw/zinc/93/26/15/606932615.db2.gz BSNJQXCZDFTBIP-UHFFFAOYSA-N -1 3 360.437 3.020 20 0 FGADHM Cc1ccc(CNc2ccc(-c3nn[n-]n3)cc2F)c(O[C@@H]2CCOC2)c1 ZINC000822238874 606948128 /nfs/dbraw/zinc/94/81/28/606948128.db2.gz YFZYWDABKVKDMG-OAHLLOKOSA-N -1 3 369.400 3.094 20 0 FGADHM CCOCCC1(C(=O)OCc2ccc(-c3nnn[n-]3)cc2F)CCCC1 ZINC000821373681 606953398 /nfs/dbraw/zinc/95/33/98/606953398.db2.gz KONYIAKIBZKTPV-UHFFFAOYSA-N -1 3 362.405 3.036 20 0 FGADHM CCOCCC1(C(=O)OCc2ccc(-c3nn[n-]n3)cc2F)CCCC1 ZINC000821373681 606953399 /nfs/dbraw/zinc/95/33/99/606953399.db2.gz KONYIAKIBZKTPV-UHFFFAOYSA-N -1 3 362.405 3.036 20 0 FGADHM Cc1ccc(-c2cccc(CNC(=O)c3ccc(-c4nnn[n-]4)cn3)c2)cc1 ZINC000822214234 606959978 /nfs/dbraw/zinc/95/99/78/606959978.db2.gz VQPCEEBAWDTFEH-UHFFFAOYSA-N -1 3 370.416 3.167 20 0 FGADHM Cc1ccc(-c2cccc(CNC(=O)c3ccc(-c4nn[n-]n4)cn3)c2)cc1 ZINC000822214234 606959979 /nfs/dbraw/zinc/95/99/79/606959979.db2.gz VQPCEEBAWDTFEH-UHFFFAOYSA-N -1 3 370.416 3.167 20 0 FGADHM C[C@@H]1c2cc(F)cc(F)c2CCN1Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820819382 606982004 /nfs/dbraw/zinc/98/20/04/606982004.db2.gz ICYNNJHSIYNBFQ-SNVBAGLBSA-N -1 3 359.355 3.403 20 0 FGADHM C[C@@H]1c2cc(F)cc(F)c2CCN1Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820819382 606982005 /nfs/dbraw/zinc/98/20/05/606982005.db2.gz ICYNNJHSIYNBFQ-SNVBAGLBSA-N -1 3 359.355 3.403 20 0 FGADHM CCS[C@H](C)c1noc(COc2cc(Cl)ccc2-c2nnn[n-]2)n1 ZINC000821449353 606982267 /nfs/dbraw/zinc/98/22/67/606982267.db2.gz SGBSSZDSCWUVNG-MRVPVSSYSA-N -1 3 366.834 3.296 20 0 FGADHM CCS[C@H](C)c1noc(COc2cc(Cl)ccc2-c2nn[n-]n2)n1 ZINC000821449353 606982268 /nfs/dbraw/zinc/98/22/68/606982268.db2.gz SGBSSZDSCWUVNG-MRVPVSSYSA-N -1 3 366.834 3.296 20 0 FGADHM COc1ccc(C(C)(C)C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)cc1 ZINC000821773073 606990551 /nfs/dbraw/zinc/99/05/51/606990551.db2.gz ZCJCQQFOSIPRRZ-UHFFFAOYSA-N -1 3 371.828 3.445 20 0 FGADHM COc1ccc(C(C)(C)C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)cc1 ZINC000821773073 606990553 /nfs/dbraw/zinc/99/05/53/606990553.db2.gz ZCJCQQFOSIPRRZ-UHFFFAOYSA-N -1 3 371.828 3.445 20 0 FGADHM FC(F)(F)[C@H](Cc1ccccc1)NCc1cc(-c2nnn[n-]2)cs1 ZINC000822714062 607008477 /nfs/dbraw/zinc/00/84/77/607008477.db2.gz FDFDWHNPSYKISO-ZDUSSCGKSA-N -1 3 353.373 3.191 20 0 FGADHM FC(F)(F)[C@H](Cc1ccccc1)NCc1cc(-c2nn[n-]n2)cs1 ZINC000822714062 607008479 /nfs/dbraw/zinc/00/84/79/607008479.db2.gz FDFDWHNPSYKISO-ZDUSSCGKSA-N -1 3 353.373 3.191 20 0 FGADHM Cc1sc2nc(CSc3cccc(-c4nnn[n-]4)c3)nc(N)c2c1C ZINC000822563202 607012003 /nfs/dbraw/zinc/01/20/03/607012003.db2.gz HFRIFHRWGJTSTO-UHFFFAOYSA-N -1 3 369.479 3.363 20 0 FGADHM Cc1sc2nc(CSc3cccc(-c4nn[n-]n4)c3)nc(N)c2c1C ZINC000822563202 607012005 /nfs/dbraw/zinc/01/20/05/607012005.db2.gz HFRIFHRWGJTSTO-UHFFFAOYSA-N -1 3 369.479 3.363 20 0 FGADHM CC(C)[C@@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)N1CCCC[C@H]1C ZINC000820032758 607016313 /nfs/dbraw/zinc/01/63/13/607016313.db2.gz QDLLEQXHWLTTRU-CZUORRHYSA-N -1 3 359.499 3.384 20 0 FGADHM CC(C)[C@@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)N1CCCC[C@H]1C ZINC000820032758 607016315 /nfs/dbraw/zinc/01/63/15/607016315.db2.gz QDLLEQXHWLTTRU-CZUORRHYSA-N -1 3 359.499 3.384 20 0 FGADHM Cc1ccc(CSCC(=O)Nc2sccc2-c2nnn[n-]2)cc1C ZINC000822240003 607017316 /nfs/dbraw/zinc/01/73/16/607017316.db2.gz NZPBRJLQFNHGLO-UHFFFAOYSA-N -1 3 359.480 3.417 20 0 FGADHM Cc1ccc(CSCC(=O)Nc2sccc2-c2nn[n-]n2)cc1C ZINC000822240003 607017317 /nfs/dbraw/zinc/01/73/17/607017317.db2.gz NZPBRJLQFNHGLO-UHFFFAOYSA-N -1 3 359.480 3.417 20 0 FGADHM FC(F)(F)c1cc(N2CCOC3(CCCC3)C2)ccc1-c1nnn[n-]1 ZINC000822724070 607032048 /nfs/dbraw/zinc/03/20/48/607032048.db2.gz YEPQCDQFCWNXET-UHFFFAOYSA-N -1 3 353.348 3.035 20 0 FGADHM FC(F)(F)c1cc(N2CCOC3(CCCC3)C2)ccc1-c1nn[n-]n1 ZINC000822724070 607032049 /nfs/dbraw/zinc/03/20/49/607032049.db2.gz YEPQCDQFCWNXET-UHFFFAOYSA-N -1 3 353.348 3.035 20 0 FGADHM COCc1nc(CSCc2cc(F)ccc2-c2nnn[n-]2)cs1 ZINC000821696929 607034931 /nfs/dbraw/zinc/03/49/31/607034931.db2.gz UTCUSJWGOHBPPG-UHFFFAOYSA-N -1 3 351.432 3.042 20 0 FGADHM COCc1nc(CSCc2cc(F)ccc2-c2nn[n-]n2)cs1 ZINC000821696929 607034933 /nfs/dbraw/zinc/03/49/33/607034933.db2.gz UTCUSJWGOHBPPG-UHFFFAOYSA-N -1 3 351.432 3.042 20 0 FGADHM COc1cccc([C@@H]2CN(c3c(Cl)cccc3-c3nnn[n-]3)CCO2)c1 ZINC000821862888 607039555 /nfs/dbraw/zinc/03/95/55/607039555.db2.gz GDRJOOKFIHCDDA-INIZCTEOSA-N -1 3 371.828 3.107 20 0 FGADHM COc1cccc([C@@H]2CN(c3c(Cl)cccc3-c3nn[n-]n3)CCO2)c1 ZINC000821862888 607039556 /nfs/dbraw/zinc/03/95/56/607039556.db2.gz GDRJOOKFIHCDDA-INIZCTEOSA-N -1 3 371.828 3.107 20 0 FGADHM Cc1cccc(C)c1CCNC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000822293735 607050000 /nfs/dbraw/zinc/05/00/00/607050000.db2.gz JTZXMVXVPNDPHG-HNNXBMFYSA-N -1 3 364.453 3.086 20 0 FGADHM Cc1cccc(C)c1CCNC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000822293735 607050002 /nfs/dbraw/zinc/05/00/02/607050002.db2.gz JTZXMVXVPNDPHG-HNNXBMFYSA-N -1 3 364.453 3.086 20 0 FGADHM C[C@H](OC(=O)c1ccnn1C1CCCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820519891 607082681 /nfs/dbraw/zinc/08/26/81/607082681.db2.gz XEPWRJDHWGSDEG-LBPRGKRZSA-N -1 3 352.398 3.096 20 0 FGADHM C[C@H](OC(=O)c1ccnn1C1CCCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820519891 607082682 /nfs/dbraw/zinc/08/26/82/607082682.db2.gz XEPWRJDHWGSDEG-LBPRGKRZSA-N -1 3 352.398 3.096 20 0 FGADHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)c1ncoc1-c1ccccc1 ZINC000823417996 607083572 /nfs/dbraw/zinc/08/35/72/607083572.db2.gz MZJYCJIGKUMDAS-UHFFFAOYSA-N -1 3 365.324 3.018 20 0 FGADHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)c1ncoc1-c1ccccc1 ZINC000823417996 607083574 /nfs/dbraw/zinc/08/35/74/607083574.db2.gz MZJYCJIGKUMDAS-UHFFFAOYSA-N -1 3 365.324 3.018 20 0 FGADHM COc1cccc(C(C)=CC(=O)OCc2cc(F)ccc2-c2nnn[n-]2)c1 ZINC000821858085 607085784 /nfs/dbraw/zinc/08/57/84/607085784.db2.gz CXUGVNLVBRRTEY-XYOKQWHBSA-N -1 3 368.368 3.161 20 0 FGADHM COc1cccc(C(C)=CC(=O)OCc2cc(F)ccc2-c2nn[n-]n2)c1 ZINC000821858085 607085786 /nfs/dbraw/zinc/08/57/86/607085786.db2.gz CXUGVNLVBRRTEY-XYOKQWHBSA-N -1 3 368.368 3.161 20 0 FGADHM Fc1ccc(N2CCC3(CC2)OCc2ccccc23)c(-c2nnn[n-]2)c1 ZINC000822779008 607121548 /nfs/dbraw/zinc/12/15/48/607121548.db2.gz RFVBALLWUDPXJN-UHFFFAOYSA-N -1 3 351.385 3.032 20 0 FGADHM Fc1ccc(N2CCC3(CC2)OCc2ccccc23)c(-c2nn[n-]n2)c1 ZINC000822779008 607121549 /nfs/dbraw/zinc/12/15/49/607121549.db2.gz RFVBALLWUDPXJN-UHFFFAOYSA-N -1 3 351.385 3.032 20 0 FGADHM CCCCC[C@@H](C)NC(=O)CNc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821049241 607123629 /nfs/dbraw/zinc/12/36/29/607123629.db2.gz JKIJLHGVBGTTGP-LLVKDONJSA-N -1 3 350.854 3.017 20 0 FGADHM CCS[C@@H](C)c1noc(CNc2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000821448207 607125395 /nfs/dbraw/zinc/12/53/95/607125395.db2.gz MFVWPPZIJFIADW-QMMMGPOBSA-N -1 3 365.850 3.329 20 0 FGADHM Cc1cc(NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cnc1Cl ZINC000822208583 607139562 /nfs/dbraw/zinc/13/95/62/607139562.db2.gz YRGWNFBDKYVFDV-JTQLQIEISA-N -1 3 357.805 3.106 20 0 FGADHM Cc1cc(NC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cnc1Cl ZINC000822208583 607139564 /nfs/dbraw/zinc/13/95/64/607139564.db2.gz YRGWNFBDKYVFDV-JTQLQIEISA-N -1 3 357.805 3.106 20 0 FGADHM CCO[C@@H](CC(=O)N(CC)[C@H](C)c1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000821351278 607153770 /nfs/dbraw/zinc/15/37/70/607153770.db2.gz OIIUJLAPIPBIDA-PBHICJAKSA-N -1 3 359.474 3.227 20 0 FGADHM CCO[C@@H](CC(=O)N(CC)[C@H](C)c1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000821351278 607153771 /nfs/dbraw/zinc/15/37/71/607153771.db2.gz OIIUJLAPIPBIDA-PBHICJAKSA-N -1 3 359.474 3.227 20 0 FGADHM CC[C@H](OC1CCCCC1)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000820938726 607156614 /nfs/dbraw/zinc/15/66/14/607156614.db2.gz MQGHQPWGIWRMCH-HNNXBMFYSA-N -1 3 374.489 3.490 20 0 FGADHM CC[C@H](OC1CCCCC1)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000820938726 607156615 /nfs/dbraw/zinc/15/66/15/607156615.db2.gz MQGHQPWGIWRMCH-HNNXBMFYSA-N -1 3 374.489 3.490 20 0 FGADHM COc1cc(COc2ccc(-c3nnn[n-]3)cc2F)ccc1OC(F)F ZINC000821717237 607171314 /nfs/dbraw/zinc/17/13/14/607171314.db2.gz MJFIDTPZEAISHS-UHFFFAOYSA-N -1 3 366.299 3.195 20 0 FGADHM COc1cc(COc2ccc(-c3nn[n-]n3)cc2F)ccc1OC(F)F ZINC000821717237 607171315 /nfs/dbraw/zinc/17/13/15/607171315.db2.gz MJFIDTPZEAISHS-UHFFFAOYSA-N -1 3 366.299 3.195 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1ccc2ccccc2n1 ZINC000823318273 607191384 /nfs/dbraw/zinc/19/13/84/607191384.db2.gz AVGFIDAPDVYIMS-UHFFFAOYSA-N -1 3 350.769 3.321 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1ccc2ccccc2n1 ZINC000823318273 607191385 /nfs/dbraw/zinc/19/13/85/607191385.db2.gz AVGFIDAPDVYIMS-UHFFFAOYSA-N -1 3 350.769 3.321 20 0 FGADHM CC(C)n1cc([C@@H](C)NC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cn1 ZINC000820373887 607196435 /nfs/dbraw/zinc/19/64/35/607196435.db2.gz KUFWGAICSFMGKM-SNVBAGLBSA-N -1 3 374.836 3.180 20 0 FGADHM CC(C)n1cc([C@@H](C)NC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cn1 ZINC000820373887 607196436 /nfs/dbraw/zinc/19/64/36/607196436.db2.gz KUFWGAICSFMGKM-SNVBAGLBSA-N -1 3 374.836 3.180 20 0 FGADHM CCOc1ccc(CNC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000821421623 607198276 /nfs/dbraw/zinc/19/82/76/607198276.db2.gz APFAHNNESQSNIS-UHFFFAOYSA-N -1 3 372.816 3.241 20 0 FGADHM CCOc1ccc(CNC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000821421623 607198277 /nfs/dbraw/zinc/19/82/77/607198277.db2.gz APFAHNNESQSNIS-UHFFFAOYSA-N -1 3 372.816 3.241 20 0 FGADHM O=C(NCc1cc2ccccc2[nH]1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823246320 607200442 /nfs/dbraw/zinc/20/04/42/607200442.db2.gz KPFGNAUMYKVOPM-UHFFFAOYSA-N -1 3 367.800 3.323 20 0 FGADHM O=C(NCc1cc2ccccc2[nH]1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823246320 607200443 /nfs/dbraw/zinc/20/04/43/607200443.db2.gz KPFGNAUMYKVOPM-UHFFFAOYSA-N -1 3 367.800 3.323 20 0 FGADHM Cc1ccn2cc(CNc3cc(-c4nnn[n-]4)ccc3C(F)(F)F)nc2c1 ZINC000822374403 607227648 /nfs/dbraw/zinc/22/76/48/607227648.db2.gz VCGBTSRALHPQFU-UHFFFAOYSA-N -1 3 373.342 3.454 20 0 FGADHM Cc1ccn2cc(CNc3cc(-c4nn[n-]n4)ccc3C(F)(F)F)nc2c1 ZINC000822374403 607227649 /nfs/dbraw/zinc/22/76/49/607227649.db2.gz VCGBTSRALHPQFU-UHFFFAOYSA-N -1 3 373.342 3.454 20 0 FGADHM CCOCCC1(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)CCCC1 ZINC000821373928 607241442 /nfs/dbraw/zinc/24/14/42/607241442.db2.gz OKSWUXTUQACSEK-UHFFFAOYSA-N -1 3 363.849 3.446 20 0 FGADHM CCOCCC1(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)CCCC1 ZINC000821373928 607241443 /nfs/dbraw/zinc/24/14/43/607241443.db2.gz OKSWUXTUQACSEK-UHFFFAOYSA-N -1 3 363.849 3.446 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1cc(-c2ccccc2)on1 ZINC000823318355 607243211 /nfs/dbraw/zinc/24/32/11/607243211.db2.gz CWYTVVCIWZBEFT-UHFFFAOYSA-N -1 3 366.768 3.427 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1cc(-c2ccccc2)on1 ZINC000823318355 607243212 /nfs/dbraw/zinc/24/32/12/607243212.db2.gz CWYTVVCIWZBEFT-UHFFFAOYSA-N -1 3 366.768 3.427 20 0 FGADHM Cn1cc(CCC(=O)Oc2ccc(-c3nnn[n-]3)cc2F)c2ccccc21 ZINC000822680504 607245319 /nfs/dbraw/zinc/24/53/19/607245319.db2.gz PEWMXZJBFZLLML-UHFFFAOYSA-N -1 3 365.368 3.036 20 0 FGADHM Cn1cc(CCC(=O)Oc2ccc(-c3nn[n-]n3)cc2F)c2ccccc21 ZINC000822680504 607245320 /nfs/dbraw/zinc/24/53/20/607245320.db2.gz PEWMXZJBFZLLML-UHFFFAOYSA-N -1 3 365.368 3.036 20 0 FGADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)c1ccc2[nH]c(C(F)F)nc2c1 ZINC000823450996 607250154 /nfs/dbraw/zinc/25/01/54/607250154.db2.gz RPGUNAHDMOMTIA-UHFFFAOYSA-N -1 3 374.282 3.039 20 0 FGADHM COc1cccc(OCCSCCOc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826217732 607785123 /nfs/dbraw/zinc/78/51/23/607785123.db2.gz ZUAQFWUYBCVRFR-UHFFFAOYSA-N -1 3 372.450 3.066 20 0 FGADHM CN(C(=O)c1cc(Oc2ccccc2)ccn1)c1ccccc1-c1nnn[n-]1 ZINC000825826001 607788388 /nfs/dbraw/zinc/78/83/88/607788388.db2.gz RGFRQEOAGNOEPO-UHFFFAOYSA-N -1 3 372.388 3.331 20 0 FGADHM CN(C(=O)c1cc(Oc2ccccc2)ccn1)c1ccccc1-c1nn[n-]n1 ZINC000825826001 607788389 /nfs/dbraw/zinc/78/83/89/607788389.db2.gz RGFRQEOAGNOEPO-UHFFFAOYSA-N -1 3 372.388 3.331 20 0 FGADHM CN(C(=O)CSCc1cccc(Cl)c1)c1ccccc1-c1nnn[n-]1 ZINC000825820334 607789069 /nfs/dbraw/zinc/78/90/69/607789069.db2.gz AFGMTNGYTCJOLF-UHFFFAOYSA-N -1 3 373.869 3.416 20 0 FGADHM CN(C(=O)CSCc1cccc(Cl)c1)c1ccccc1-c1nn[n-]n1 ZINC000825820334 607789070 /nfs/dbraw/zinc/78/90/70/607789070.db2.gz AFGMTNGYTCJOLF-UHFFFAOYSA-N -1 3 373.869 3.416 20 0 FGADHM COc1ccc(S[C@@H](C)C(=O)N(C)c2ccccc2-c2nnn[n-]2)cc1 ZINC000826211831 607790099 /nfs/dbraw/zinc/79/00/99/607790099.db2.gz WNQHVQYEEWRUQI-LBPRGKRZSA-N -1 3 369.450 3.019 20 0 FGADHM COc1ccc(S[C@@H](C)C(=O)N(C)c2ccccc2-c2nn[n-]n2)cc1 ZINC000826211831 607790100 /nfs/dbraw/zinc/79/01/00/607790100.db2.gz WNQHVQYEEWRUQI-LBPRGKRZSA-N -1 3 369.450 3.019 20 0 FGADHM Cc1cc(OCC(=O)N(C)c2ccccc2-c2nnn[n-]2)cc(C)c1Cl ZINC000826272099 607791085 /nfs/dbraw/zinc/79/10/85/607791085.db2.gz UOKDDCQNQYAVEN-UHFFFAOYSA-N -1 3 371.828 3.179 20 0 FGADHM Cc1cc(OCC(=O)N(C)c2ccccc2-c2nn[n-]n2)cc(C)c1Cl ZINC000826272099 607791086 /nfs/dbraw/zinc/79/10/86/607791086.db2.gz UOKDDCQNQYAVEN-UHFFFAOYSA-N -1 3 371.828 3.179 20 0 FGADHM Cc1ccc(C(=O)Oc2ccc(-c3ccc(-c4nnn[n-]4)cc3)cc2)nc1 ZINC000826282560 607792475 /nfs/dbraw/zinc/79/24/75/607792475.db2.gz UQHQMNJZMZYSMN-UHFFFAOYSA-N -1 3 357.373 3.456 20 0 FGADHM Cc1ccc(C(=O)Oc2ccc(-c3ccc(-c4nn[n-]n4)cc3)cc2)nc1 ZINC000826282560 607792476 /nfs/dbraw/zinc/79/24/76/607792476.db2.gz UQHQMNJZMZYSMN-UHFFFAOYSA-N -1 3 357.373 3.456 20 0 FGADHM CC1(C)C[C@@H]1C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824795825 607794268 /nfs/dbraw/zinc/79/42/68/607794268.db2.gz GGFSEXUDRHRRAV-QGZVFWFLSA-N -1 3 363.421 3.430 20 0 FGADHM CC1(C)C[C@@H]1C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824795825 607794269 /nfs/dbraw/zinc/79/42/69/607794269.db2.gz GGFSEXUDRHRRAV-QGZVFWFLSA-N -1 3 363.421 3.430 20 0 FGADHM CCN(C(=O)Cc1cccc(OC(C)C)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825377142 607796553 /nfs/dbraw/zinc/79/65/53/607796553.db2.gz VAGGHWUMHISAIT-UHFFFAOYSA-N -1 3 365.437 3.250 20 0 FGADHM CCN(C(=O)Cc1cccc(OC(C)C)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825377142 607796554 /nfs/dbraw/zinc/79/65/54/607796554.db2.gz VAGGHWUMHISAIT-UHFFFAOYSA-N -1 3 365.437 3.250 20 0 FGADHM CCN(C(=O)C[C@@H](C)c1cccc(OC)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367227 607797054 /nfs/dbraw/zinc/79/70/54/607797054.db2.gz LKRMVFFGHNKSPE-CQSZACIVSA-N -1 3 365.437 3.422 20 0 FGADHM CCN(C(=O)C[C@@H](C)c1cccc(OC)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367227 607797055 /nfs/dbraw/zinc/79/70/55/607797055.db2.gz LKRMVFFGHNKSPE-CQSZACIVSA-N -1 3 365.437 3.422 20 0 FGADHM CC[C@H](Oc1cccc(C)c1)C(=O)N(CC)c1ccc(-c2nnn[n-]2)cc1 ZINC000825154861 607797681 /nfs/dbraw/zinc/79/76/81/607797681.db2.gz VATKKIFAQGTXPM-SFHVURJKSA-N -1 3 365.437 3.386 20 0 FGADHM CC[C@H](Oc1cccc(C)c1)C(=O)N(CC)c1ccc(-c2nn[n-]n2)cc1 ZINC000825154861 607797682 /nfs/dbraw/zinc/79/76/82/607797682.db2.gz VATKKIFAQGTXPM-SFHVURJKSA-N -1 3 365.437 3.386 20 0 FGADHM CCN(C(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367072 607798839 /nfs/dbraw/zinc/79/88/39/607798839.db2.gz IVCMEIXOQMWEGS-GJZGRUSLSA-N -1 3 369.375 3.302 20 0 FGADHM CCN(C(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367072 607798840 /nfs/dbraw/zinc/79/88/40/607798840.db2.gz IVCMEIXOQMWEGS-GJZGRUSLSA-N -1 3 369.375 3.302 20 0 FGADHM Cc1cc(S[C@@H]2CCO[C@H]2C)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000826272609 607820213 /nfs/dbraw/zinc/82/02/13/607820213.db2.gz SENPXJMFHGHTEQ-SMDDNHRTSA-N -1 3 366.450 3.246 20 0 FGADHM Cc1cc(S[C@@H]2CCO[C@H]2C)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC000826272609 607820214 /nfs/dbraw/zinc/82/02/14/607820214.db2.gz SENPXJMFHGHTEQ-SMDDNHRTSA-N -1 3 366.450 3.246 20 0 FGADHM FC(F)(F)c1ccc(N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c(-c2nnn[n-]2)c1 ZINC000826368820 607821863 /nfs/dbraw/zinc/82/18/63/607821863.db2.gz CDVFVJPFFCULFV-HONMWMINSA-N -1 3 365.359 3.255 20 0 FGADHM FC(F)(F)c1ccc(N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c(-c2nn[n-]n2)c1 ZINC000826368820 607821864 /nfs/dbraw/zinc/82/18/64/607821864.db2.gz CDVFVJPFFCULFV-HONMWMINSA-N -1 3 365.359 3.255 20 0 FGADHM Cc1noc(C)c1[C@@H](C)CC(=O)Nc1sc(C)c(C)c1-c1nnn[n-]1 ZINC000826338349 607826680 /nfs/dbraw/zinc/82/66/80/607826680.db2.gz SNIAVLARBXCXON-ZETCQYMHSA-N -1 3 360.443 3.282 20 0 FGADHM Cc1noc(C)c1[C@@H](C)CC(=O)Nc1sc(C)c(C)c1-c1nn[n-]n1 ZINC000826338349 607826681 /nfs/dbraw/zinc/82/66/81/607826681.db2.gz SNIAVLARBXCXON-ZETCQYMHSA-N -1 3 360.443 3.282 20 0 FGADHM COc1ccc2cccc(CC(=O)OCc3cccc(-c4nnn[n-]4)c3)c2c1 ZINC000826213725 607827375 /nfs/dbraw/zinc/82/73/75/607827375.db2.gz JTNDWEHNGWAZOZ-UHFFFAOYSA-N -1 3 374.400 3.314 20 0 FGADHM COc1ccc2cccc(CC(=O)OCc3cccc(-c4nn[n-]n4)c3)c2c1 ZINC000826213725 607827376 /nfs/dbraw/zinc/82/73/76/607827376.db2.gz JTNDWEHNGWAZOZ-UHFFFAOYSA-N -1 3 374.400 3.314 20 0 FGADHM O=C(NCc1ccsc1)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000826443565 607833778 /nfs/dbraw/zinc/83/37/78/607833778.db2.gz VTILHQHNCNBFJW-UHFFFAOYSA-N -1 3 354.222 3.165 20 0 FGADHM COc1ccc(C(=O)Nc2ccccc2-c2nnn[n-]2)cc1-c1ccccn1 ZINC000826187159 607861300 /nfs/dbraw/zinc/86/13/00/607861300.db2.gz CLPRSGYMCVEFGP-UHFFFAOYSA-N -1 3 372.388 3.190 20 0 FGADHM COc1ccc(C(=O)Nc2ccccc2-c2nn[n-]n2)cc1-c1ccccn1 ZINC000826187159 607861301 /nfs/dbraw/zinc/86/13/01/607861301.db2.gz CLPRSGYMCVEFGP-UHFFFAOYSA-N -1 3 372.388 3.190 20 0 FGADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccc(-n2ccnn2)cc1 ZINC000824648432 607904101 /nfs/dbraw/zinc/90/41/01/607904101.db2.gz GCJPFKPRKKKKFW-LLVKDONJSA-N -1 3 366.816 3.274 20 0 FGADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc(-n2ccnn2)cc1 ZINC000824648432 607904102 /nfs/dbraw/zinc/90/41/02/607904102.db2.gz GCJPFKPRKKKKFW-LLVKDONJSA-N -1 3 366.816 3.274 20 0 FGADHM C[C@@H](Cc1ccc(Cl)s1)OC(=O)c1sccc1-c1nnn[n-]1 ZINC000824457444 607924905 /nfs/dbraw/zinc/92/49/05/607924905.db2.gz MTWMXZSYDFMUIU-ZETCQYMHSA-N -1 3 354.844 3.431 20 0 FGADHM Cc1cccc(Cl)c1NC(=O)COc1c(C)cc(-c2nn[n-]n2)cc1C ZINC000826298392 607931309 /nfs/dbraw/zinc/93/13/09/607931309.db2.gz QPAMWGVJVPQVRQ-UHFFFAOYSA-N -1 3 371.828 3.463 20 0 FGADHM CSc1ccc(C)c(C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)c1 ZINC000826230248 607949272 /nfs/dbraw/zinc/94/92/72/607949272.db2.gz KYCMAMPVCASCJY-UHFFFAOYSA-N -1 3 351.435 3.100 20 0 FGADHM CSc1ccc(C)c(C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)c1 ZINC000826230248 607949273 /nfs/dbraw/zinc/94/92/73/607949273.db2.gz KYCMAMPVCASCJY-UHFFFAOYSA-N -1 3 351.435 3.100 20 0 FGADHM Cc1ccc([C@H]2C[C@H](OC(=O)c3ccc(-c4nnn[n-]4)cc3)CCO2)cc1 ZINC000826285116 607950801 /nfs/dbraw/zinc/95/08/01/607950801.db2.gz PQSKLQNSAIDOCY-QZTJIDSGSA-N -1 3 364.405 3.252 20 0 FGADHM Cc1ccc([C@H]2C[C@H](OC(=O)c3ccc(-c4nn[n-]n4)cc3)CCO2)cc1 ZINC000826285116 607950802 /nfs/dbraw/zinc/95/08/02/607950802.db2.gz PQSKLQNSAIDOCY-QZTJIDSGSA-N -1 3 364.405 3.252 20 0 FGADHM O=C(c1ccc(Cl)c(Cl)c1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826473434 607954617 /nfs/dbraw/zinc/95/46/17/607954617.db2.gz YDNBAMZHFDIYEI-UHFFFAOYSA-N -1 3 360.204 3.376 20 0 FGADHM O=C(c1ccc(Cl)c(Cl)c1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826473434 607954618 /nfs/dbraw/zinc/95/46/18/607954618.db2.gz YDNBAMZHFDIYEI-UHFFFAOYSA-N -1 3 360.204 3.376 20 0 FGADHM CCc1c(C)sc(NC(=O)C=Cc2ccnc(Cl)c2)c1-c1nnn[n-]1 ZINC000825687561 607962357 /nfs/dbraw/zinc/96/23/57/607962357.db2.gz JGRCAHVUQAUMGI-PLNGDYQASA-N -1 3 374.857 3.499 20 0 FGADHM CCc1c(C)sc(NC(=O)C=Cc2ccnc(Cl)c2)c1-c1nn[n-]n1 ZINC000825687561 607962358 /nfs/dbraw/zinc/96/23/58/607962358.db2.gz JGRCAHVUQAUMGI-PLNGDYQASA-N -1 3 374.857 3.499 20 0 FGADHM CC(C)(C)C1=CCN(c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)CC1 ZINC000824071128 607967039 /nfs/dbraw/zinc/96/70/39/607967039.db2.gz GFQKJQMEDVGXTJ-UHFFFAOYSA-N -1 3 352.364 3.463 20 0 FGADHM CC(C)(C)C1=CCN(c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)CC1 ZINC000824071128 607967040 /nfs/dbraw/zinc/96/70/40/607967040.db2.gz GFQKJQMEDVGXTJ-UHFFFAOYSA-N -1 3 352.364 3.463 20 0 FGADHM CCN(CC)c1ncc(-c2nc3cc(-c4nnn[n-]4)ccc3n2CC)s1 ZINC000825416671 607975105 /nfs/dbraw/zinc/97/51/05/607975105.db2.gz LDVHXCAUJRUXEZ-UHFFFAOYSA-N -1 3 368.470 3.206 20 0 FGADHM CCN(CC)c1ncc(-c2nc3cc(-c4nn[n-]n4)ccc3n2CC)s1 ZINC000825416671 607975106 /nfs/dbraw/zinc/97/51/06/607975106.db2.gz LDVHXCAUJRUXEZ-UHFFFAOYSA-N -1 3 368.470 3.206 20 0 FGADHM Fc1cc(-c2nnn[n-]2)ccc1-c1nc2cccnc2n1Cc1ccccc1 ZINC000826371607 607976248 /nfs/dbraw/zinc/97/62/48/607976248.db2.gz MHIKQUNHPYKGBN-UHFFFAOYSA-N -1 3 371.379 3.466 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1-c1nc2cccnc2n1Cc1ccccc1 ZINC000826371607 607976249 /nfs/dbraw/zinc/97/62/49/607976249.db2.gz MHIKQUNHPYKGBN-UHFFFAOYSA-N -1 3 371.379 3.466 20 0 FGADHM COc1cc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2F)ccc1Cl ZINC000826177541 607979521 /nfs/dbraw/zinc/97/95/21/607979521.db2.gz MFMNBDAWETUEFB-UHFFFAOYSA-N -1 3 362.748 3.025 20 0 FGADHM COc1cc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2F)ccc1Cl ZINC000826177541 607979522 /nfs/dbraw/zinc/97/95/22/607979522.db2.gz MFMNBDAWETUEFB-UHFFFAOYSA-N -1 3 362.748 3.025 20 0 FGADHM CC(=O)c1ccc(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000824024379 608005317 /nfs/dbraw/zinc/00/53/17/608005317.db2.gz BUVAAVGTLSEHLY-UHFFFAOYSA-N -1 3 367.434 3.109 20 0 FGADHM CC(=O)c1ccc(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000824024379 608005318 /nfs/dbraw/zinc/00/53/18/608005318.db2.gz BUVAAVGTLSEHLY-UHFFFAOYSA-N -1 3 367.434 3.109 20 0 FGADHM Cc1cc([C@@H](NC(=O)c2sccc2-c2nnn[n-]2)C2CC2)ccc1F ZINC000826262360 608009532 /nfs/dbraw/zinc/00/95/32/608009532.db2.gz MUQVZJGZJVTEJK-AWEZNQCLSA-N -1 3 357.414 3.257 20 0 FGADHM Cc1cc([C@@H](NC(=O)c2sccc2-c2nn[n-]n2)C2CC2)ccc1F ZINC000826262360 608009533 /nfs/dbraw/zinc/00/95/33/608009533.db2.gz MUQVZJGZJVTEJK-AWEZNQCLSA-N -1 3 357.414 3.257 20 0 FGADHM CCC(CC)[C@@H](C)C(=O)NCCSCc1ccccc1-c1nnn[n-]1 ZINC000825097809 608048751 /nfs/dbraw/zinc/04/87/51/608048751.db2.gz ZBTCHVUWZRIGBI-CYBMUJFWSA-N -1 3 361.515 3.288 20 0 FGADHM CCC(CC)[C@@H](C)C(=O)NCCSCc1ccccc1-c1nn[n-]n1 ZINC000825097809 608048752 /nfs/dbraw/zinc/04/87/52/608048752.db2.gz ZBTCHVUWZRIGBI-CYBMUJFWSA-N -1 3 361.515 3.288 20 0 FGADHM CC(C)[C@@H]1OCC[C@@H]1CNc1ccc(-c2nn[n-]n2)cc1Br ZINC000824229893 608050484 /nfs/dbraw/zinc/05/04/84/608050484.db2.gz XFHQIZSXJRCVLG-RISCZKNCSA-N -1 3 366.263 3.102 20 0 FGADHM C[C@H](OC(=O)C1=Cc2cc(F)ccc2OC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824716281 608067257 /nfs/dbraw/zinc/06/72/57/608067257.db2.gz XOTDSPYNMJAUOH-NSHDSACASA-N -1 3 366.352 3.086 20 0 FGADHM C[C@H](OC(=O)C1=Cc2cc(F)ccc2OC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824716281 608067258 /nfs/dbraw/zinc/06/72/58/608067258.db2.gz XOTDSPYNMJAUOH-NSHDSACASA-N -1 3 366.352 3.086 20 0 FGADHM C[C@H](c1ccc(F)cc1)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824761751 608068508 /nfs/dbraw/zinc/06/85/08/608068508.db2.gz CGZFNIQCMDLRQF-ACJLOTCBSA-N -1 3 353.401 3.140 20 0 FGADHM C[C@@H]1CC[C@@H](COC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)O1 ZINC000824907283 608076296 /nfs/dbraw/zinc/07/62/96/608076296.db2.gz HUOAPBKHEBDVSK-KGLIPLIRSA-N -1 3 364.405 3.258 20 0 FGADHM C[C@@H]1CC[C@@H](COC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)O1 ZINC000824907283 608076297 /nfs/dbraw/zinc/07/62/97/608076297.db2.gz HUOAPBKHEBDVSK-KGLIPLIRSA-N -1 3 364.405 3.258 20 0 FGADHM CCCCCC(C)(C)C(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000825266364 608081689 /nfs/dbraw/zinc/08/16/89/608081689.db2.gz FHRLCNWWPUPWSM-QGZVFWFLSA-N -1 3 371.485 3.373 20 0 FGADHM CCCCCC(C)(C)C(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000825266364 608081690 /nfs/dbraw/zinc/08/16/90/608081690.db2.gz FHRLCNWWPUPWSM-QGZVFWFLSA-N -1 3 371.485 3.373 20 0 FGADHM OCCCCCCNc1ccccc1Oc1ncccc1-c1nnn[n-]1 ZINC000826509666 608095247 /nfs/dbraw/zinc/09/52/47/608095247.db2.gz CZRUOHUSEPXHJZ-UHFFFAOYSA-N -1 3 354.414 3.019 20 0 FGADHM Fc1ccc(C2(NCc3ccc(-c4nnn[n-]4)cc3F)CCC2)c(F)c1 ZINC000826374413 608101248 /nfs/dbraw/zinc/10/12/48/608101248.db2.gz YAIQACRVBAQNJV-UHFFFAOYSA-N -1 3 359.355 3.453 20 0 FGADHM Fc1ccc(C2(NCc3ccc(-c4nn[n-]n4)cc3F)CCC2)c(F)c1 ZINC000826374413 608101249 /nfs/dbraw/zinc/10/12/49/608101249.db2.gz YAIQACRVBAQNJV-UHFFFAOYSA-N -1 3 359.355 3.453 20 0 FGADHM C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000824970433 608102446 /nfs/dbraw/zinc/10/24/46/608102446.db2.gz XETKCTQYEWKVKC-VQTKTDOBSA-N -1 3 359.433 3.320 20 0 FGADHM C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000824970433 608102447 /nfs/dbraw/zinc/10/24/47/608102447.db2.gz XETKCTQYEWKVKC-VQTKTDOBSA-N -1 3 359.433 3.320 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NC1(c2ccc(F)cc2F)CCC1 ZINC000826246577 608102801 /nfs/dbraw/zinc/10/28/01/608102801.db2.gz HDJZAJUSBPDVAO-UHFFFAOYSA-N -1 3 369.375 3.263 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NC1(c2ccc(F)cc2F)CCC1 ZINC000826246577 608102802 /nfs/dbraw/zinc/10/28/02/608102802.db2.gz HDJZAJUSBPDVAO-UHFFFAOYSA-N -1 3 369.375 3.263 20 0 FGADHM C[C@H](C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1)c1c(F)cccc1F ZINC000824053291 608117227 /nfs/dbraw/zinc/11/72/27/608117227.db2.gz XHEYRFJNVKNJRA-VIFPVBQESA-N -1 3 362.311 3.131 20 0 FGADHM C[C@H](C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1)c1c(F)cccc1F ZINC000824053291 608117228 /nfs/dbraw/zinc/11/72/28/608117228.db2.gz XHEYRFJNVKNJRA-VIFPVBQESA-N -1 3 362.311 3.131 20 0 FGADHM COc1ccc(CNc2nn(C3CCCCC3)cc2C)cc1-c1nnn[n-]1 ZINC000826204266 608134645 /nfs/dbraw/zinc/13/46/45/608134645.db2.gz DRQBZJTVZFLQBY-UHFFFAOYSA-N -1 3 367.457 3.498 20 0 FGADHM COc1ccc(CNc2nn(C3CCCCC3)cc2C)cc1-c1nn[n-]n1 ZINC000826204266 608134646 /nfs/dbraw/zinc/13/46/46/608134646.db2.gz DRQBZJTVZFLQBY-UHFFFAOYSA-N -1 3 367.457 3.498 20 0 FGADHM Cc1ccnn1-c1ccccc1NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000826315772 608136860 /nfs/dbraw/zinc/13/68/60/608136860.db2.gz SVEDXEVOBUUGNF-KHPPLWFESA-N -1 3 371.404 3.013 20 0 FGADHM Cc1ccnn1-c1ccccc1NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000826315772 608136861 /nfs/dbraw/zinc/13/68/61/608136861.db2.gz SVEDXEVOBUUGNF-KHPPLWFESA-N -1 3 371.404 3.013 20 0 FGADHM CCN(CCCSc1nc(C)cc(C)c1-c1nnn[n-]1)CC(F)(F)F ZINC000825419085 608143949 /nfs/dbraw/zinc/14/39/49/608143949.db2.gz GOIVENJKISEMMT-UHFFFAOYSA-N -1 3 374.436 3.245 20 0 FGADHM CCN(CCCSc1nc(C)cc(C)c1-c1nn[n-]n1)CC(F)(F)F ZINC000825419085 608143950 /nfs/dbraw/zinc/14/39/50/608143950.db2.gz GOIVENJKISEMMT-UHFFFAOYSA-N -1 3 374.436 3.245 20 0 FGADHM Cc1cc([C@H]2CN(c3cccc(F)c3-c3nnn[n-]3)CCO2)ccc1F ZINC000826266461 608153574 /nfs/dbraw/zinc/15/35/74/608153574.db2.gz PLIJHNDBYAOTOT-MRXNPFEDSA-N -1 3 357.364 3.031 20 0 FGADHM Cc1cc([C@H]2CN(c3cccc(F)c3-c3nn[n-]n3)CCO2)ccc1F ZINC000826266461 608153576 /nfs/dbraw/zinc/15/35/76/608153576.db2.gz PLIJHNDBYAOTOT-MRXNPFEDSA-N -1 3 357.364 3.031 20 0 FGADHM O=Cc1cc(OCc2cccc(-c3nnn[n-]3)c2)ccc1Br ZINC000826484043 608154770 /nfs/dbraw/zinc/15/47/70/608154770.db2.gz LCIYUUGYOZHODO-UHFFFAOYSA-N -1 3 359.183 3.021 20 0 FGADHM O=Cc1cc(OCc2cccc(-c3nn[n-]n3)c2)ccc1Br ZINC000826484043 608154771 /nfs/dbraw/zinc/15/47/71/608154771.db2.gz LCIYUUGYOZHODO-UHFFFAOYSA-N -1 3 359.183 3.021 20 0 FGADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@@H]1CC12CCCCC2 ZINC000824206641 608163798 /nfs/dbraw/zinc/16/37/98/608163798.db2.gz GFQCMBNZPYGCTC-IAGOWNOFSA-N -1 3 369.469 3.109 20 0 FGADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@@H]1CC12CCCCC2 ZINC000824206641 608163799 /nfs/dbraw/zinc/16/37/99/608163799.db2.gz GFQCMBNZPYGCTC-IAGOWNOFSA-N -1 3 369.469 3.109 20 0 FGADHM C[C@@H](OC(=O)C(F)(F)c1ccc(F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824706176 608181466 /nfs/dbraw/zinc/18/14/66/608181466.db2.gz HFAOFHQEHNYOJX-SNVBAGLBSA-N -1 3 362.311 3.402 20 0 FGADHM C[C@@H](OC(=O)C(F)(F)c1ccc(F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824706176 608181468 /nfs/dbraw/zinc/18/14/68/608181468.db2.gz HFAOFHQEHNYOJX-SNVBAGLBSA-N -1 3 362.311 3.402 20 0 FGADHM CC[C@H](Oc1ccccc1F)C(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000825160177 608184225 /nfs/dbraw/zinc/18/42/25/608184225.db2.gz XYZBZHYFNYIWCT-WBMJQRKESA-N -1 3 370.384 3.468 20 0 FGADHM CC[C@H](Oc1ccccc1F)C(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000825160177 608184227 /nfs/dbraw/zinc/18/42/27/608184227.db2.gz XYZBZHYFNYIWCT-WBMJQRKESA-N -1 3 370.384 3.468 20 0 FGADHM COc1ccccc1C1(C(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826218679 608185997 /nfs/dbraw/zinc/18/59/97/608185997.db2.gz IUBDHDITZSOJKH-CYBMUJFWSA-N -1 3 364.405 3.211 20 0 FGADHM COc1ccccc1C1(C(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826218679 608185998 /nfs/dbraw/zinc/18/59/98/608185998.db2.gz IUBDHDITZSOJKH-CYBMUJFWSA-N -1 3 364.405 3.211 20 0 FGADHM COc1ccc2c(c1)CCCN(c1ccc3cc(-c4nnn[n-]4)ccc3n1)C2 ZINC000826213483 608226634 /nfs/dbraw/zinc/22/66/34/608226634.db2.gz YIZDJPBISGXNGN-UHFFFAOYSA-N -1 3 372.432 3.376 20 0 FGADHM COc1ccc2c(c1)CCCN(c1ccc3cc(-c4nn[n-]n4)ccc3n1)C2 ZINC000826213483 608226636 /nfs/dbraw/zinc/22/66/36/608226636.db2.gz YIZDJPBISGXNGN-UHFFFAOYSA-N -1 3 372.432 3.376 20 0 FGADHM COc1ccc(CCNc2ccc3cc(-c4nnn[n-]4)ccc3n2)cc1F ZINC000826192607 608226840 /nfs/dbraw/zinc/22/68/40/608226840.db2.gz UCQGTYHRDDRXLA-UHFFFAOYSA-N -1 3 364.384 3.217 20 0 FGADHM COc1ccc(CCNc2ccc3cc(-c4nn[n-]n4)ccc3n2)cc1F ZINC000826192607 608226841 /nfs/dbraw/zinc/22/68/41/608226841.db2.gz UCQGTYHRDDRXLA-UHFFFAOYSA-N -1 3 364.384 3.217 20 0 FGADHM c1ccc2c(c1)CCO[C@@H]2CNc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000826523561 608229626 /nfs/dbraw/zinc/22/96/26/608229626.db2.gz QDUWDCISPKZEGK-GOSISDBHSA-N -1 3 358.405 3.141 20 0 FGADHM c1ccc2c(c1)CCO[C@@H]2CNc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000826523561 608229628 /nfs/dbraw/zinc/22/96/28/608229628.db2.gz QDUWDCISPKZEGK-GOSISDBHSA-N -1 3 358.405 3.141 20 0 FGADHM c1cc2nc(N[C@@H]3CC[C@@H]4SCCS[C@H]34)ccc2cc1-c1nnn[n-]1 ZINC000826518529 608235382 /nfs/dbraw/zinc/23/53/82/608235382.db2.gz QOSIYTVGDJUOFU-IJEWVQPXSA-N -1 3 370.507 3.206 20 0 FGADHM c1cc2nc(N[C@@H]3CC[C@@H]4SCCS[C@H]34)ccc2cc1-c1nn[n-]n1 ZINC000826518529 608235383 /nfs/dbraw/zinc/23/53/83/608235383.db2.gz QOSIYTVGDJUOFU-IJEWVQPXSA-N -1 3 370.507 3.206 20 0 FGADHM COc1ccc([C@@H](OC)[C@H](C)Nc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000826189984 608239786 /nfs/dbraw/zinc/23/97/86/608239786.db2.gz LQTWRXWHRSHNLQ-GTNSWQLSSA-N -1 3 357.389 3.203 20 0 FGADHM CCc1ccc(C2=CCN(C(=O)c3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000825705042 608246303 /nfs/dbraw/zinc/24/63/03/608246303.db2.gz UVAANEJAJYLHAV-UHFFFAOYSA-N -1 3 359.433 3.359 20 0 FGADHM CCc1ccc(C2=CCN(C(=O)c3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000825705042 608246305 /nfs/dbraw/zinc/24/63/05/608246305.db2.gz UVAANEJAJYLHAV-UHFFFAOYSA-N -1 3 359.433 3.359 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)[C@H](c1ccccc1)C1CC1 ZINC000826183807 608253953 /nfs/dbraw/zinc/25/39/53/608253953.db2.gz AQBXJYYMUBNMCY-GOSISDBHSA-N -1 3 364.405 3.112 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)[C@H](c1ccccc1)C1CC1 ZINC000826183807 608253954 /nfs/dbraw/zinc/25/39/54/608253954.db2.gz AQBXJYYMUBNMCY-GOSISDBHSA-N -1 3 364.405 3.112 20 0 FGADHM COc1ccc2[nH]c(SCc3ccc(-c4nn[n-]n4)cc3OC)nc2c1 ZINC000826214012 608262191 /nfs/dbraw/zinc/26/21/91/608262191.db2.gz WRRNZAKXJGFPFZ-UHFFFAOYSA-N -1 3 368.422 3.053 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)c(N2CCC(CCc3ccc(O)cc3)CC2)n1 ZINC000826274618 608270677 /nfs/dbraw/zinc/27/06/77/608270677.db2.gz XINVDXQGGSKSFC-UHFFFAOYSA-N -1 3 364.453 3.125 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)c(N2CCC(CCc3ccc(O)cc3)CC2)n1 ZINC000826274618 608270679 /nfs/dbraw/zinc/27/06/79/608270679.db2.gz XINVDXQGGSKSFC-UHFFFAOYSA-N -1 3 364.453 3.125 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)c(N[C@H]2C[C@H]2c2cccc(Br)c2)n1 ZINC000826274783 608282048 /nfs/dbraw/zinc/28/20/48/608282048.db2.gz FDMRJPDOUNTOPO-KBPBESRZSA-N -1 3 371.242 3.301 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)c(N[C@H]2C[C@H]2c2cccc(Br)c2)n1 ZINC000826274783 608282049 /nfs/dbraw/zinc/28/20/49/608282049.db2.gz FDMRJPDOUNTOPO-KBPBESRZSA-N -1 3 371.242 3.301 20 0 FGADHM Fc1cccc([C@H]2CCN(c3nc4c(cc3-c3nnn[n-]3)CCCC4)C2)c1 ZINC000826376402 608284395 /nfs/dbraw/zinc/28/43/95/608284395.db2.gz CHLWGAFGYMMJJQ-HNNXBMFYSA-N -1 3 364.428 3.274 20 0 FGADHM Fc1cccc([C@H]2CCN(c3nc4c(cc3-c3nn[n-]n3)CCCC4)C2)c1 ZINC000826376402 608284396 /nfs/dbraw/zinc/28/43/96/608284396.db2.gz CHLWGAFGYMMJJQ-HNNXBMFYSA-N -1 3 364.428 3.274 20 0 FGADHM CSc1cc(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)ccc1F ZINC000826229415 608301334 /nfs/dbraw/zinc/30/13/34/608301334.db2.gz DDPMHYRTIODLRW-UHFFFAOYSA-N -1 3 361.377 3.143 20 0 FGADHM CSc1cc(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)ccc1F ZINC000826229415 608301335 /nfs/dbraw/zinc/30/13/35/608301335.db2.gz DDPMHYRTIODLRW-UHFFFAOYSA-N -1 3 361.377 3.143 20 0 FGADHM CSc1cc(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)ccc1F ZINC000826229685 608306398 /nfs/dbraw/zinc/30/63/98/608306398.db2.gz NBCVQLGXRSXMGX-SNVBAGLBSA-N -1 3 357.414 3.219 20 0 FGADHM CSc1cc(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)ccc1F ZINC000826229685 608306400 /nfs/dbraw/zinc/30/64/00/608306400.db2.gz NBCVQLGXRSXMGX-SNVBAGLBSA-N -1 3 357.414 3.219 20 0 FGADHM CC(C)c1ccc(C[C@@H](C)NC(=O)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000824447726 608313699 /nfs/dbraw/zinc/31/36/99/608313699.db2.gz BMTAIFULWQDVNR-OAHLLOKOSA-N -1 3 363.465 3.280 20 0 FGADHM CC(C)c1ccc(C[C@@H](C)NC(=O)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000824447726 608313701 /nfs/dbraw/zinc/31/37/01/608313701.db2.gz BMTAIFULWQDVNR-OAHLLOKOSA-N -1 3 363.465 3.280 20 0 FGADHM Cc1nn(-c2ccccc2)c(CN2Cc3ccccc3[C@@H]2C)c1-c1nnn[n-]1 ZINC000826331919 608314324 /nfs/dbraw/zinc/31/43/24/608314324.db2.gz CZBKYRKYXUEWAX-HNNXBMFYSA-N -1 3 371.448 3.438 20 0 FGADHM Cc1nn(-c2ccccc2)c(CN2Cc3ccccc3[C@@H]2C)c1-c1nn[n-]n1 ZINC000826331919 608314326 /nfs/dbraw/zinc/31/43/26/608314326.db2.gz CZBKYRKYXUEWAX-HNNXBMFYSA-N -1 3 371.448 3.438 20 0 FGADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)N[C@@H]1CCCc2cc(F)ccc21 ZINC000826408860 608315567 /nfs/dbraw/zinc/31/55/67/608315567.db2.gz XZTCARYDKHUHLH-GOSISDBHSA-N -1 3 365.412 3.132 20 0 FGADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)N[C@@H]1CCCc2cc(F)ccc21 ZINC000826408860 608315569 /nfs/dbraw/zinc/31/55/69/608315569.db2.gz XZTCARYDKHUHLH-GOSISDBHSA-N -1 3 365.412 3.132 20 0 FGADHM O=C(Nc1ccc(-c2ncco2)cc1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000826451552 608318800 /nfs/dbraw/zinc/31/88/00/608318800.db2.gz LLJISVHCIYLMOU-UHFFFAOYSA-N -1 3 368.303 3.052 20 0 FGADHM O=C(Nc1ccc(-c2ncco2)cc1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826451552 608318802 /nfs/dbraw/zinc/31/88/02/608318802.db2.gz LLJISVHCIYLMOU-UHFFFAOYSA-N -1 3 368.303 3.052 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1COc1ccc(NC(=O)C(C)C)cc1 ZINC000826173256 608325693 /nfs/dbraw/zinc/32/56/93/608325693.db2.gz VHAXNZOGOLKMBA-UHFFFAOYSA-N -1 3 367.409 3.049 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1COc1ccc(NC(=O)C(C)C)cc1 ZINC000826173256 608325694 /nfs/dbraw/zinc/32/56/94/608325694.db2.gz VHAXNZOGOLKMBA-UHFFFAOYSA-N -1 3 367.409 3.049 20 0 FGADHM C[C@H](NC(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)C1CC1 ZINC000824499049 608336600 /nfs/dbraw/zinc/33/66/00/608336600.db2.gz NBLZRAQJIKHCDA-ZDUSSCGKSA-N -1 3 362.437 3.131 20 0 FGADHM C[C@H](NC(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)C1CC1 ZINC000824499049 608336601 /nfs/dbraw/zinc/33/66/01/608336601.db2.gz NBLZRAQJIKHCDA-ZDUSSCGKSA-N -1 3 362.437 3.131 20 0 FGADHM CC[C@@H](C(=O)OCc1ccc(-c2nnn[n-]2)cc1OC)c1ccccc1 ZINC000825039729 608343530 /nfs/dbraw/zinc/34/35/30/608343530.db2.gz VJVCVEPBXCDJTM-MRXNPFEDSA-N -1 3 352.394 3.112 20 0 FGADHM CC[C@@H](C(=O)OCc1ccc(-c2nn[n-]n2)cc1OC)c1ccccc1 ZINC000825039729 608343532 /nfs/dbraw/zinc/34/35/32/608343532.db2.gz VJVCVEPBXCDJTM-MRXNPFEDSA-N -1 3 352.394 3.112 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)CCc1ccc(Cl)cc1 ZINC000826171058 608346613 /nfs/dbraw/zinc/34/66/13/608346613.db2.gz AHXPMMQBIDZDFR-UHFFFAOYSA-N -1 3 372.812 3.205 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)CCc1ccc(Cl)cc1 ZINC000826171058 608346615 /nfs/dbraw/zinc/34/66/15/608346615.db2.gz AHXPMMQBIDZDFR-UHFFFAOYSA-N -1 3 372.812 3.205 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)C[C@H](C)c1ccccc1F ZINC000826171408 608350690 /nfs/dbraw/zinc/35/06/90/608350690.db2.gz MQFLUDSRWDZWCC-LBPRGKRZSA-N -1 3 370.384 3.251 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)C[C@H](C)c1ccccc1F ZINC000826171408 608350692 /nfs/dbraw/zinc/35/06/92/608350692.db2.gz MQFLUDSRWDZWCC-LBPRGKRZSA-N -1 3 370.384 3.251 20 0 FGADHM O=C(NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)N1C[C@@H]2CCC[C@@H]21 ZINC000826440956 608357355 /nfs/dbraw/zinc/35/73/55/608357355.db2.gz HAZFEVWABORJJP-LPHOPBHVSA-N -1 3 374.448 3.228 20 0 FGADHM O=C(NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)N1C[C@@H]2CCC[C@@H]21 ZINC000826440956 608357356 /nfs/dbraw/zinc/35/73/56/608357356.db2.gz HAZFEVWABORJJP-LPHOPBHVSA-N -1 3 374.448 3.228 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)c1cc2occc2s1 ZINC000826172614 608360935 /nfs/dbraw/zinc/36/09/35/608360935.db2.gz ORWRTAXOFVZOIT-UHFFFAOYSA-N -1 3 356.363 3.040 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)c1cc2occc2s1 ZINC000826172614 608360937 /nfs/dbraw/zinc/36/09/37/608360937.db2.gz ORWRTAXOFVZOIT-UHFFFAOYSA-N -1 3 356.363 3.040 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)[C@@H]1C[C@@H]1c1sccc1C ZINC000826171640 608365117 /nfs/dbraw/zinc/36/51/17/608365117.db2.gz SZPRJTCMIBVMGJ-UONOGXRCSA-N -1 3 370.434 3.092 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)[C@@H]1C[C@@H]1c1sccc1C ZINC000826171640 608365118 /nfs/dbraw/zinc/36/51/18/608365118.db2.gz SZPRJTCMIBVMGJ-UONOGXRCSA-N -1 3 370.434 3.092 20 0 FGADHM Cc1ccc(F)c(C(=O)OCCCOc2cccc(-c3nnn[n-]3)c2)c1F ZINC000826289145 608378234 /nfs/dbraw/zinc/37/82/34/608378234.db2.gz LZHPWJRZYOSCAZ-UHFFFAOYSA-N -1 3 374.347 3.079 20 0 FGADHM Cc1ccc(F)c(C(=O)OCCCOc2cccc(-c3nn[n-]n3)c2)c1F ZINC000826289145 608378236 /nfs/dbraw/zinc/37/82/36/608378236.db2.gz LZHPWJRZYOSCAZ-UHFFFAOYSA-N -1 3 374.347 3.079 20 0 FGADHM CCN(Cc1ccc(OC)c(OC)c1)Cc1cccc(-c2nnn[n-]2)c1F ZINC000825435098 608384289 /nfs/dbraw/zinc/38/42/89/608384289.db2.gz MDKWSJMJUJNLPZ-UHFFFAOYSA-N -1 3 371.416 3.045 20 0 FGADHM CC[C@H](C)[C@H](C)NC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000825059455 608398035 /nfs/dbraw/zinc/39/80/35/608398035.db2.gz FPGYVCLSSDAUSO-KBPBESRZSA-N -1 3 354.458 3.100 20 0 FGADHM CC[C@H](C)[C@H](C)NC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825059455 608398037 /nfs/dbraw/zinc/39/80/37/608398037.db2.gz FPGYVCLSSDAUSO-KBPBESRZSA-N -1 3 354.458 3.100 20 0 FGADHM COC1(C)CCN(c2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)CC1 ZINC000826143913 608412341 /nfs/dbraw/zinc/41/23/41/608412341.db2.gz VXOHEYISKQYAFQ-UHFFFAOYSA-N -1 3 358.833 3.074 20 0 FGADHM COC1(C)CCN(c2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)CC1 ZINC000826143913 608412342 /nfs/dbraw/zinc/41/23/42/608412342.db2.gz VXOHEYISKQYAFQ-UHFFFAOYSA-N -1 3 358.833 3.074 20 0 FGADHM CC(C)(C)Oc1cccc(CNc2ncc(-c3nnn[n-]3)cc2Cl)n1 ZINC000824123883 608439208 /nfs/dbraw/zinc/43/92/08/608439208.db2.gz LDZFGHZZDWQEHM-UHFFFAOYSA-N -1 3 359.821 3.100 20 0 FGADHM CC(C)(C)Oc1cccc(CNc2ncc(-c3nn[n-]n3)cc2Cl)n1 ZINC000824123883 608439210 /nfs/dbraw/zinc/43/92/10/608439210.db2.gz LDZFGHZZDWQEHM-UHFFFAOYSA-N -1 3 359.821 3.100 20 0 FGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000826465815 608450223 /nfs/dbraw/zinc/45/02/23/608450223.db2.gz DRPDMBWTDUOSRZ-QWHCGFSZSA-N -1 3 374.322 3.131 20 0 FGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000826465815 608450225 /nfs/dbraw/zinc/45/02/25/608450225.db2.gz DRPDMBWTDUOSRZ-QWHCGFSZSA-N -1 3 374.322 3.131 20 0 FGADHM C[C@H](OC(=O)c1cc(F)cc2cccnc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000824721835 608452780 /nfs/dbraw/zinc/45/27/80/608452780.db2.gz FHOLBMNTVFTKHN-NSHDSACASA-N -1 3 363.352 3.472 20 0 FGADHM C[C@H](OC(=O)c1cc(F)cc2cccnc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000824721835 608452781 /nfs/dbraw/zinc/45/27/81/608452781.db2.gz FHOLBMNTVFTKHN-NSHDSACASA-N -1 3 363.352 3.472 20 0 FGADHM Cc1cccc(C)c1C(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826297255 608480391 /nfs/dbraw/zinc/48/03/91/608480391.db2.gz ZVMRLWCSCCZNLR-UHFFFAOYSA-N -1 3 359.433 3.413 20 0 FGADHM Cc1cccc(C)c1C(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826297255 608480392 /nfs/dbraw/zinc/48/03/92/608480392.db2.gz ZVMRLWCSCCZNLR-UHFFFAOYSA-N -1 3 359.433 3.413 20 0 FGADHM O=C(CCc1ccccc1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826409130 608480763 /nfs/dbraw/zinc/48/07/63/608480763.db2.gz JWIUAKIYADQULL-UHFFFAOYSA-N -1 3 359.433 3.115 20 0 FGADHM O=C(CCc1ccccc1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826409130 608480765 /nfs/dbraw/zinc/48/07/65/608480765.db2.gz JWIUAKIYADQULL-UHFFFAOYSA-N -1 3 359.433 3.115 20 0 FGADHM C[C@H]1CCC[C@H](C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)C1 ZINC000824928183 608481298 /nfs/dbraw/zinc/48/12/98/608481298.db2.gz RYXIRGNMDSURPF-KSSFIOAISA-N -1 3 351.454 3.309 20 0 FGADHM C[C@H]1CCC[C@H](C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC000824928183 608481300 /nfs/dbraw/zinc/48/13/00/608481300.db2.gz RYXIRGNMDSURPF-KSSFIOAISA-N -1 3 351.454 3.309 20 0 FGADHM Cc1ccccc1-c1noc(CN[C@@H](C)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000826305515 608481577 /nfs/dbraw/zinc/48/15/77/608481577.db2.gz ZSBABRLLSPURIZ-ZDUSSCGKSA-N -1 3 361.409 3.076 20 0 FGADHM Cc1ccccc1-c1noc(CN[C@@H](C)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000826305515 608481578 /nfs/dbraw/zinc/48/15/78/608481578.db2.gz ZSBABRLLSPURIZ-ZDUSSCGKSA-N -1 3 361.409 3.076 20 0 FGADHM O=C(C=Cc1ccccc1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826401118 608485328 /nfs/dbraw/zinc/48/53/28/608485328.db2.gz QDINHENNICVYJF-IZZDOVSWSA-N -1 3 357.417 3.196 20 0 FGADHM O=C(C=Cc1ccccc1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826401118 608485330 /nfs/dbraw/zinc/48/53/30/608485330.db2.gz QDINHENNICVYJF-IZZDOVSWSA-N -1 3 357.417 3.196 20 0 FGADHM O=C(CC1CCCCC1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826404045 608487278 /nfs/dbraw/zinc/48/72/78/608487278.db2.gz MKSLJAKFWVVSJX-UHFFFAOYSA-N -1 3 351.454 3.453 20 0 FGADHM O=C(CC1CCCCC1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826404045 608487279 /nfs/dbraw/zinc/48/72/79/608487279.db2.gz MKSLJAKFWVVSJX-UHFFFAOYSA-N -1 3 351.454 3.453 20 0 FGADHM C[C@@H](NCc1ncc(-c2cccs2)o1)c1cccc(-c2nn[n-]n2)c1 ZINC000824634687 608491018 /nfs/dbraw/zinc/49/10/18/608491018.db2.gz XEMUJPQANKZGLJ-LLVKDONJSA-N -1 3 352.423 3.434 20 0 FGADHM CN(Cc1ccc(-c2nnn[n-]2)s1)Cc1ccccc1OC(F)(F)F ZINC000825966060 608513505 /nfs/dbraw/zinc/51/35/05/608513505.db2.gz MIERFJUHIKWWPC-UHFFFAOYSA-N -1 3 369.372 3.459 20 0 FGADHM CN(Cc1ccc(-c2nn[n-]n2)s1)Cc1ccccc1OC(F)(F)F ZINC000825966060 608513506 /nfs/dbraw/zinc/51/35/06/608513506.db2.gz MIERFJUHIKWWPC-UHFFFAOYSA-N -1 3 369.372 3.459 20 0 FGADHM CSc1cccc(NC(=O)NCc2ccc(-c3nnn[n-]3)cc2)c1C ZINC000826231146 608518340 /nfs/dbraw/zinc/51/83/40/608518340.db2.gz ZAQVCWSNVVCIEZ-UHFFFAOYSA-N -1 3 354.439 3.219 20 0 FGADHM CSc1cccc(NC(=O)NCc2ccc(-c3nn[n-]n3)cc2)c1C ZINC000826231146 608518344 /nfs/dbraw/zinc/51/83/44/608518344.db2.gz ZAQVCWSNVVCIEZ-UHFFFAOYSA-N -1 3 354.439 3.219 20 0 FGADHM Clc1ccc(NC2CCC(Oc3ccc(-c4nnn[n-]4)cn3)CC2)nc1 ZINC000826352298 608558593 /nfs/dbraw/zinc/55/85/93/608558593.db2.gz WIMNZVBEOHCJHF-UHFFFAOYSA-N -1 3 371.832 3.112 20 0 FGADHM Clc1ccc(NC2CCC(Oc3ccc(-c4nn[n-]n4)cn3)CC2)nc1 ZINC000826352298 608558595 /nfs/dbraw/zinc/55/85/95/608558595.db2.gz WIMNZVBEOHCJHF-UHFFFAOYSA-N -1 3 371.832 3.112 20 0 FGADHM Cc1ccc(CCC(=O)Nc2nc3c(cc2-c2nnn[n-]2)CCCC3)cc1 ZINC000826287171 608570841 /nfs/dbraw/zinc/57/08/41/608570841.db2.gz GBPLSVMKYCLXEO-UHFFFAOYSA-N -1 3 362.437 3.020 20 0 FGADHM Cc1ccc(CCC(=O)Nc2nc3c(cc2-c2nn[n-]n2)CCCC3)cc1 ZINC000826287171 608570843 /nfs/dbraw/zinc/57/08/43/608570843.db2.gz GBPLSVMKYCLXEO-UHFFFAOYSA-N -1 3 362.437 3.020 20 0 FGADHM Clc1ccc(CNc2ccc(-c3nn[n-]n3)cc2Br)nc1 ZINC000826351889 608585645 /nfs/dbraw/zinc/58/56/45/608585645.db2.gz FTUXYVUQQZQXDP-UHFFFAOYSA-N -1 3 365.622 3.290 20 0 FGADHM O=C(N[C@H]1CCCOc2cc(Cl)ccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000826431244 608592421 /nfs/dbraw/zinc/59/24/21/608592421.db2.gz WFJHNSOFZZELMV-HNNXBMFYSA-N -1 3 369.812 3.164 20 0 FGADHM O=C(N[C@H]1CCCOc2cc(Cl)ccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000826431244 608592422 /nfs/dbraw/zinc/59/24/22/608592422.db2.gz WFJHNSOFZZELMV-HNNXBMFYSA-N -1 3 369.812 3.164 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H](C1CCCC1)C(F)(F)F ZINC000826278227 608657717 /nfs/dbraw/zinc/65/77/17/608657717.db2.gz VDHISBQTNDBFDF-ZDUSSCGKSA-N -1 3 368.363 3.418 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@H](C1CCCC1)C(F)(F)F ZINC000826278227 608657719 /nfs/dbraw/zinc/65/77/19/608657719.db2.gz VDHISBQTNDBFDF-ZDUSSCGKSA-N -1 3 368.363 3.418 20 0 FGADHM CN(Cn1nc(Cl)c2ccccc21)c1ccc(-c2nn[n-]n2)cc1F ZINC000826004168 608753291 /nfs/dbraw/zinc/75/32/91/608753291.db2.gz LUNLZLIGJPCSOC-UHFFFAOYSA-N -1 3 357.780 3.103 20 0 FGADHM COCCSc1ccc([C@@H](C)Nc2cnccc2-c2nnn[n-]2)cc1 ZINC000826163499 608781434 /nfs/dbraw/zinc/78/14/34/608781434.db2.gz XIXMVERIZBYKPH-GFCCVEGCSA-N -1 3 356.455 3.173 20 0 FGADHM COCCSc1ccc([C@@H](C)Nc2cnccc2-c2nn[n-]n2)cc1 ZINC000826163499 608781435 /nfs/dbraw/zinc/78/14/35/608781435.db2.gz XIXMVERIZBYKPH-GFCCVEGCSA-N -1 3 356.455 3.173 20 0 FGADHM O=c1[nH]c(C(Cl)=Cc2ccc(F)c(-c3nnn[n-]3)c2)nc2ccccc12 ZINC000826500795 608878021 /nfs/dbraw/zinc/87/80/21/608878021.db2.gz MLHZNBYFZJEVMV-XYOKQWHBSA-N -1 3 368.759 3.392 20 0 FGADHM O=c1[nH]c(C(Cl)=Cc2ccc(F)c(-c3nn[n-]n3)c2)nc2ccccc12 ZINC000826500795 608878022 /nfs/dbraw/zinc/87/80/22/608878022.db2.gz MLHZNBYFZJEVMV-XYOKQWHBSA-N -1 3 368.759 3.392 20 0 FGADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)N1CCC[C@H]1/C=C/c1ccccc1 ZINC000826422178 609138293 /nfs/dbraw/zinc/13/82/93/609138293.db2.gz PDFUSBWGVFSRTB-QHSLDKKCSA-N -1 3 359.433 3.114 20 0 FGADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)N1CCC[C@H]1/C=C/c1ccccc1 ZINC000826422178 609138294 /nfs/dbraw/zinc/13/82/94/609138294.db2.gz PDFUSBWGVFSRTB-QHSLDKKCSA-N -1 3 359.433 3.114 20 0 FGADHM c1c2c(nn1C1CCCC1)[C@H](Nc1ncccc1-c1nnn[n-]1)CCC2 ZINC000826525278 609150404 /nfs/dbraw/zinc/15/04/04/609150404.db2.gz DADHMFNPBMDPKT-OAHLLOKOSA-N -1 3 350.430 3.063 20 0 FGADHM c1c2c(nn1C1CCCC1)[C@H](Nc1ncccc1-c1nn[n-]n1)CCC2 ZINC000826525278 609150406 /nfs/dbraw/zinc/15/04/06/609150406.db2.gz DADHMFNPBMDPKT-OAHLLOKOSA-N -1 3 350.430 3.063 20 0 FGADHM C[C@H](Nc1ccc2c(c1)OCCCO2)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824658559 609162340 /nfs/dbraw/zinc/16/23/40/609162340.db2.gz YIULFYGKNSFHBZ-NSHDSACASA-N -1 3 355.373 3.340 20 0 FGADHM C[C@H](Nc1ccc2c(c1)OCCCO2)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824658559 609162343 /nfs/dbraw/zinc/16/23/43/609162343.db2.gz YIULFYGKNSFHBZ-NSHDSACASA-N -1 3 355.373 3.340 20 0 FGADHM CCNc1ccc(-c2nn[n-]n2)cc1NCc1nc([C@@H](C)SCC)no1 ZINC000825481054 609178219 /nfs/dbraw/zinc/17/82/19/609178219.db2.gz STQIDMRCTXGCPQ-SNVBAGLBSA-N -1 3 374.474 3.108 20 0 FGADHM FC(F)(F)c1cccc(OCCCOc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826369324 609181122 /nfs/dbraw/zinc/18/11/22/609181122.db2.gz XTPABPKQFVVOJR-UHFFFAOYSA-N -1 3 365.315 3.128 20 0 FGADHM COc1c(C)cnc(CSCCOc2cccc(-c3nnn[n-]3)c2)c1C ZINC000826167143 609183433 /nfs/dbraw/zinc/18/34/33/609183433.db2.gz QZDDAZPKDJJXDX-UHFFFAOYSA-N -1 3 371.466 3.199 20 0 FGADHM COc1c(C)cnc(CSCCOc2cccc(-c3nn[n-]n3)c2)c1C ZINC000826167143 609183435 /nfs/dbraw/zinc/18/34/35/609183435.db2.gz QZDDAZPKDJJXDX-UHFFFAOYSA-N -1 3 371.466 3.199 20 0 FGADHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N(Cc1ccccc1)Cc1ccccc1 ZINC000826468993 609190047 /nfs/dbraw/zinc/19/00/47/609190047.db2.gz QBFDKEFIGHQKGB-UHFFFAOYSA-N -1 3 358.405 3.037 20 0 FGADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N(Cc1ccccc1)Cc1ccccc1 ZINC000826468993 609190049 /nfs/dbraw/zinc/19/00/49/609190049.db2.gz QBFDKEFIGHQKGB-UHFFFAOYSA-N -1 3 358.405 3.037 20 0 FGADHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N(CCc1ccccc1)Cc1ccccc1 ZINC000826468913 609193872 /nfs/dbraw/zinc/19/38/72/609193872.db2.gz MIJGRAWBTVTCPC-UHFFFAOYSA-N -1 3 372.432 3.080 20 0 FGADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N(CCc1ccccc1)Cc1ccccc1 ZINC000826468913 609193873 /nfs/dbraw/zinc/19/38/73/609193873.db2.gz MIJGRAWBTVTCPC-UHFFFAOYSA-N -1 3 372.432 3.080 20 0 FGADHM CCN(C(=O)c1c[nH]c(-c2nnn[n-]2)c1)[C@H](C)c1cc2ccccc2o1 ZINC000825377109 609200920 /nfs/dbraw/zinc/20/09/20/609200920.db2.gz UAXZSLLONAAAPS-LLVKDONJSA-N -1 3 350.382 3.164 20 0 FGADHM CCN(C(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@H](C)c1cc2ccccc2o1 ZINC000825377109 609200921 /nfs/dbraw/zinc/20/09/21/609200921.db2.gz UAXZSLLONAAAPS-LLVKDONJSA-N -1 3 350.382 3.164 20 0 FGADHM C[C@@H](c1ccc(Cl)cc1)N(C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC000824761778 609209164 /nfs/dbraw/zinc/20/91/64/609209164.db2.gz CJRNHUQXHXEOLT-JTQLQIEISA-N -1 3 356.817 3.214 20 0 FGADHM C[C@@H](c1ccc(Cl)cc1)N(C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC000824761778 609209166 /nfs/dbraw/zinc/20/91/66/609209166.db2.gz CJRNHUQXHXEOLT-JTQLQIEISA-N -1 3 356.817 3.214 20 0 FGADHM CCN(C(=O)c1c[nH]c(-c2nnn[n-]2)c1)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000825376700 609219966 /nfs/dbraw/zinc/21/99/66/609219966.db2.gz LKXIIMAGBPMKKK-QGZVFWFLSA-N -1 3 370.432 3.063 20 0 FGADHM CCN(C(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000825376700 609219967 /nfs/dbraw/zinc/21/99/67/609219967.db2.gz LKXIIMAGBPMKKK-QGZVFWFLSA-N -1 3 370.432 3.063 20 0 FGADHM Cc1cccc(C(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)c2cccc(C)c2)c1 ZINC000826297123 609222671 /nfs/dbraw/zinc/22/26/71/609222671.db2.gz WEAPQGSPKAPZNC-UHFFFAOYSA-N -1 3 372.432 3.331 20 0 FGADHM Cc1cccc(C(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)c2cccc(C)c2)c1 ZINC000826297123 609222673 /nfs/dbraw/zinc/22/26/73/609222673.db2.gz WEAPQGSPKAPZNC-UHFFFAOYSA-N -1 3 372.432 3.331 20 0 FGADHM Cc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)nn1[C@H](C)C1CC1 ZINC000826260638 609237692 /nfs/dbraw/zinc/23/76/92/609237692.db2.gz YDGBZROHWSBMAI-SNVBAGLBSA-N -1 3 371.832 3.248 20 0 FGADHM Cc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)nn1[C@H](C)C1CC1 ZINC000826260638 609237694 /nfs/dbraw/zinc/23/76/94/609237694.db2.gz YDGBZROHWSBMAI-SNVBAGLBSA-N -1 3 371.832 3.248 20 0 FGADHM CCC[C@H](C)[C@H](CC)Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1 ZINC000825232184 609240691 /nfs/dbraw/zinc/24/06/91/609240691.db2.gz DKLXFUXYJTZZLL-KSSFIOAISA-N -1 3 372.517 3.455 20 0 FGADHM CCC[C@H](C)[C@H](CC)Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1 ZINC000825232184 609240693 /nfs/dbraw/zinc/24/06/93/609240693.db2.gz DKLXFUXYJTZZLL-KSSFIOAISA-N -1 3 372.517 3.455 20 0 FGADHM CC(C)[C@H]1CCC[C@H]1Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1 ZINC000824213755 609241737 /nfs/dbraw/zinc/24/17/37/609241737.db2.gz CTSCDCGKGBWNQX-SJLPKXTDSA-N -1 3 370.501 3.064 20 0 FGADHM CC(C)[C@H]1CCC[C@H]1Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1 ZINC000824213755 609241739 /nfs/dbraw/zinc/24/17/39/609241739.db2.gz CTSCDCGKGBWNQX-SJLPKXTDSA-N -1 3 370.501 3.064 20 0 FGADHM COCCn1ncc2ccc(N[C@@H](C)c3cccc(-c4nnn[n-]4)c3)cc21 ZINC000826163853 609276822 /nfs/dbraw/zinc/27/68/22/609276822.db2.gz OMCNFKPUUVPODL-ZDUSSCGKSA-N -1 3 363.425 3.036 20 0 FGADHM COCCn1ncc2ccc(N[C@@H](C)c3cccc(-c4nn[n-]n4)c3)cc21 ZINC000826163853 609276825 /nfs/dbraw/zinc/27/68/25/609276825.db2.gz OMCNFKPUUVPODL-ZDUSSCGKSA-N -1 3 363.425 3.036 20 0 FGADHM CSc1ccccc1Cn1c(C)nnc1-c1cccc(-c2nnn[n-]2)c1 ZINC000826231370 609280321 /nfs/dbraw/zinc/28/03/21/609280321.db2.gz IUXORGCHZZDISV-UHFFFAOYSA-N -1 3 363.450 3.204 20 0 FGADHM CSc1ccccc1Cn1c(C)nnc1-c1cccc(-c2nn[n-]n2)c1 ZINC000826231370 609280323 /nfs/dbraw/zinc/28/03/23/609280323.db2.gz IUXORGCHZZDISV-UHFFFAOYSA-N -1 3 363.450 3.204 20 0 FGADHM Cc1c(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)cnn1C1CCCCC1 ZINC000826233945 609282459 /nfs/dbraw/zinc/28/24/59/609282459.db2.gz AUPVSSFTUORSPA-UHFFFAOYSA-N -1 3 365.441 3.153 20 0 FGADHM Cc1c(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)cnn1C1CCCCC1 ZINC000826233945 609282461 /nfs/dbraw/zinc/28/24/61/609282461.db2.gz AUPVSSFTUORSPA-UHFFFAOYSA-N -1 3 365.441 3.153 20 0 FGADHM FC(F)O[C@H]1CCCN(c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C1 ZINC000826369721 609316995 /nfs/dbraw/zinc/31/69/95/609316995.db2.gz OFIDJDCQLHFJKR-VIFPVBQESA-N -1 3 363.290 3.094 20 0 FGADHM FC(F)O[C@H]1CCCN(c2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C1 ZINC000826369721 609316997 /nfs/dbraw/zinc/31/69/97/609316997.db2.gz OFIDJDCQLHFJKR-VIFPVBQESA-N -1 3 363.290 3.094 20 0 FGADHM CC[C@H](C)n1nc(C(=O)N(CC)c2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000825074312 609323773 /nfs/dbraw/zinc/32/37/73/609323773.db2.gz FUYFIZJVYURJII-LBPRGKRZSA-N -1 3 353.430 3.009 20 0 FGADHM CC[C@H](C)n1nc(C(=O)N(CC)c2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000825074312 609323774 /nfs/dbraw/zinc/32/37/74/609323774.db2.gz FUYFIZJVYURJII-LBPRGKRZSA-N -1 3 353.430 3.009 20 0 FGADHM CC[C@@H](C)n1nc(C(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)cc1C ZINC000825074046 609327172 /nfs/dbraw/zinc/32/71/72/609327172.db2.gz DAYVZRMHQNGYEN-SNVBAGLBSA-N -1 3 373.848 3.273 20 0 FGADHM CC[C@@H](C)n1nc(C(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)cc1C ZINC000825074046 609327173 /nfs/dbraw/zinc/32/71/73/609327173.db2.gz DAYVZRMHQNGYEN-SNVBAGLBSA-N -1 3 373.848 3.273 20 0 FGADHM COc1ccc2c(c1)OCC[C@@H]2N[C@H](C)c1ccc(-c2nn[n-]n2)cc1F ZINC000826212932 609337856 /nfs/dbraw/zinc/33/78/56/609337856.db2.gz FZAXLPJIBOAVLK-DIFFPNOSSA-N -1 3 369.400 3.189 20 0 FGADHM Cc1c(NCc2cc(-c3nnn[n-]3)cs2)cnn1-c1ccccc1F ZINC000826242489 609343182 /nfs/dbraw/zinc/34/31/82/609343182.db2.gz RGEIVYBZRCMZTA-UHFFFAOYSA-N -1 3 355.402 3.174 20 0 FGADHM Cc1c(NCc2cc(-c3nn[n-]n3)cs2)cnn1-c1ccccc1F ZINC000826242489 609343184 /nfs/dbraw/zinc/34/31/84/609343184.db2.gz RGEIVYBZRCMZTA-UHFFFAOYSA-N -1 3 355.402 3.174 20 0 FGADHM O=C(N[C@@H]1CC=C(c2ccc(F)cc2)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826428853 609348730 /nfs/dbraw/zinc/34/87/30/609348730.db2.gz NDUGKFAWZBZOKS-GOSISDBHSA-N -1 3 363.396 3.372 20 0 FGADHM O=C(N[C@@H]1CC=C(c2ccc(F)cc2)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826428853 609348731 /nfs/dbraw/zinc/34/87/31/609348731.db2.gz NDUGKFAWZBZOKS-GOSISDBHSA-N -1 3 363.396 3.372 20 0 FGADHM O=C(N[C@H]1CC=C(c2ccc(F)cc2)CC1)c1sccc1-c1nnn[n-]1 ZINC000826428938 609348834 /nfs/dbraw/zinc/34/88/34/609348834.db2.gz PVAVBPLUPRSNNF-AWEZNQCLSA-N -1 3 369.425 3.433 20 0 FGADHM O=C(N[C@H]1CC=C(c2ccc(F)cc2)CC1)c1sccc1-c1nn[n-]n1 ZINC000826428938 609348835 /nfs/dbraw/zinc/34/88/35/609348835.db2.gz PVAVBPLUPRSNNF-AWEZNQCLSA-N -1 3 369.425 3.433 20 0 FGADHM O=C(N[C@H]1CC=C(c2ccc(F)cc2)CC1)c1cc(-c2nnn[n-]2)cs1 ZINC000826428804 609350632 /nfs/dbraw/zinc/35/06/32/609350632.db2.gz LVHUCDWAUMTGFG-HNNXBMFYSA-N -1 3 369.425 3.433 20 0 FGADHM O=C(N[C@H]1CC=C(c2ccc(F)cc2)CC1)c1cc(-c2nn[n-]n2)cs1 ZINC000826428804 609350633 /nfs/dbraw/zinc/35/06/33/609350633.db2.gz LVHUCDWAUMTGFG-HNNXBMFYSA-N -1 3 369.425 3.433 20 0 FGADHM Clc1ccc(CN2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)nc1 ZINC000826352364 609367040 /nfs/dbraw/zinc/36/70/40/609367040.db2.gz YEYYBXXRBSCKPG-UHFFFAOYSA-N -1 3 352.829 3.204 20 0 FGADHM COC(=O)[C@@H](Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)C1CC1 ZINC000826111772 609373244 /nfs/dbraw/zinc/37/32/44/609373244.db2.gz LVLQLHNRENDMCC-KRWDZBQOSA-N -1 3 365.393 3.023 20 0 FGADHM COC(=O)[C@@H](Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)C1CC1 ZINC000826111772 609373247 /nfs/dbraw/zinc/37/32/47/609373247.db2.gz LVLQLHNRENDMCC-KRWDZBQOSA-N -1 3 365.393 3.023 20 0 FGADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)[C@H]1CCC(C)(C)C1 ZINC000826167771 609374358 /nfs/dbraw/zinc/37/43/58/609374358.db2.gz QMJRUMNJRVZBMQ-VIFPVBQESA-N -1 3 350.806 3.260 20 0 FGADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)[C@H]1CCC(C)(C)C1 ZINC000826167771 609374360 /nfs/dbraw/zinc/37/43/60/609374360.db2.gz QMJRUMNJRVZBMQ-VIFPVBQESA-N -1 3 350.806 3.260 20 0 FGADHM CC(C)[C@@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1ccc(Cl)cc1F ZINC000824192925 609374959 /nfs/dbraw/zinc/37/49/59/609374959.db2.gz OWPVRJZKCXIPKN-CQSZACIVSA-N -1 3 362.796 3.114 20 0 FGADHM CC(C)[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1ccc(Cl)cc1F ZINC000824192925 609374962 /nfs/dbraw/zinc/37/49/62/609374962.db2.gz OWPVRJZKCXIPKN-CQSZACIVSA-N -1 3 362.796 3.114 20 0 FGADHM CC(C)[C@H]1C[C@@H](CC(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)CCO1 ZINC000824216357 609380368 /nfs/dbraw/zinc/38/03/68/609380368.db2.gz QEFMNYNTRIMUQP-DZGCQCFKSA-N -1 3 374.489 3.203 20 0 FGADHM CC(C)[C@H]1C[C@@H](CC(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)CCO1 ZINC000824216357 609380369 /nfs/dbraw/zinc/38/03/69/609380369.db2.gz QEFMNYNTRIMUQP-DZGCQCFKSA-N -1 3 374.489 3.203 20 0 FGADHM O=C1[C@@H](Sc2cccc(F)c2)CCCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000826478179 609421469 /nfs/dbraw/zinc/42/14/69/609421469.db2.gz WCDYMUAVRRFUIP-INIZCTEOSA-N -1 3 369.425 3.294 20 0 FGADHM O=C1[C@@H](Sc2cccc(F)c2)CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826478179 609421471 /nfs/dbraw/zinc/42/14/71/609421471.db2.gz WCDYMUAVRRFUIP-INIZCTEOSA-N -1 3 369.425 3.294 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1CNc1ccc(F)cc1NC(C)C ZINC000826170638 609440345 /nfs/dbraw/zinc/44/03/45/609440345.db2.gz JCJHMNHUSHAUIZ-UHFFFAOYSA-N -1 3 356.405 3.447 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1CNc1ccc(F)cc1NC(C)C ZINC000826170638 609440348 /nfs/dbraw/zinc/44/03/48/609440348.db2.gz JCJHMNHUSHAUIZ-UHFFFAOYSA-N -1 3 356.405 3.447 20 0 FGADHM Cn1cc(CNc2ccc(F)cc2F)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826361649 609440459 /nfs/dbraw/zinc/44/04/59/609440459.db2.gz HGMDMTXLLNDCGK-UHFFFAOYSA-N -1 3 367.363 3.158 20 0 FGADHM Cn1cc(CNc2ccc(F)cc2F)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826361649 609440462 /nfs/dbraw/zinc/44/04/62/609440462.db2.gz HGMDMTXLLNDCGK-UHFFFAOYSA-N -1 3 367.363 3.158 20 0 FGADHM Fc1ccc(CNc2ccn(-c3ccc(Cl)cc3-c3nnn[n-]3)n2)cc1 ZINC000826374891 609449149 /nfs/dbraw/zinc/44/91/49/609449149.db2.gz QMMBJUTYBCATSO-UHFFFAOYSA-N -1 3 369.791 3.457 20 0 FGADHM Fc1ccc(CNc2ccn(-c3ccc(Cl)cc3-c3nn[n-]n3)n2)cc1 ZINC000826374891 609449152 /nfs/dbraw/zinc/44/91/52/609449152.db2.gz QMMBJUTYBCATSO-UHFFFAOYSA-N -1 3 369.791 3.457 20 0 FGADHM CC(=Cc1ccc(C)cc1)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000823943993 609450031 /nfs/dbraw/zinc/45/00/31/609450031.db2.gz WQSQBLUFIANXOZ-LCYFTJDESA-N -1 3 351.385 3.034 20 0 FGADHM CC(=Cc1ccc(C)cc1)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000823943993 609450034 /nfs/dbraw/zinc/45/00/34/609450034.db2.gz WQSQBLUFIANXOZ-LCYFTJDESA-N -1 3 351.385 3.034 20 0 FGADHM C[C@H](OCCCNc1nc2ccccn2c1-c1nnn[n-]1)c1ccccc1 ZINC000824727568 609457028 /nfs/dbraw/zinc/45/70/28/609457028.db2.gz BMUPHUIREKSAIH-AWEZNQCLSA-N -1 3 363.425 3.094 20 0 FGADHM C[C@H](OCCCNc1nc2ccccn2c1-c1nn[n-]n1)c1ccccc1 ZINC000824727568 609457031 /nfs/dbraw/zinc/45/70/31/609457031.db2.gz BMUPHUIREKSAIH-AWEZNQCLSA-N -1 3 363.425 3.094 20 0 FGADHM CCOC(=O)Nc1ccc(NCc2cccc(F)c2)cc1-c1nnn[n-]1 ZINC000825552993 609487531 /nfs/dbraw/zinc/48/75/31/609487531.db2.gz HDVUCWMEVVWIAB-UHFFFAOYSA-N -1 3 356.361 3.186 20 0 FGADHM CCOC(=O)Nc1ccc(NCc2cccc(F)c2)cc1-c1nn[n-]n1 ZINC000825552993 609487533 /nfs/dbraw/zinc/48/75/33/609487533.db2.gz HDVUCWMEVVWIAB-UHFFFAOYSA-N -1 3 356.361 3.186 20 0 FGADHM CCOC(=O)C1CCC(Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)CC1 ZINC000825498717 609493028 /nfs/dbraw/zinc/49/30/28/609493028.db2.gz BFAMHMRTNHNTJM-UHFFFAOYSA-N -1 3 373.457 3.188 20 0 FGADHM CCOC(=O)C1CCC(Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)CC1 ZINC000825498717 609493029 /nfs/dbraw/zinc/49/30/29/609493029.db2.gz BFAMHMRTNHNTJM-UHFFFAOYSA-N -1 3 373.457 3.188 20 0 FGADHM COc1ccc(CNc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)cc1F ZINC000826203830 609493103 /nfs/dbraw/zinc/49/31/03/609493103.db2.gz IFYUUVDXWAURRF-UHFFFAOYSA-N -1 3 357.389 3.414 20 0 FGADHM COc1ccc(CNc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)cc1F ZINC000826203830 609493104 /nfs/dbraw/zinc/49/31/04/609493104.db2.gz IFYUUVDXWAURRF-UHFFFAOYSA-N -1 3 357.389 3.414 20 0 FGADHM CN(C[C@H]1CC=CCC1)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000825909409 609495068 /nfs/dbraw/zinc/49/50/68/609495068.db2.gz XZIPIRZJIQJAPG-ZDUSSCGKSA-N -1 3 357.462 3.243 20 0 FGADHM CN(C[C@H]1CC=CCC1)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000825909409 609495070 /nfs/dbraw/zinc/49/50/70/609495070.db2.gz XZIPIRZJIQJAPG-ZDUSSCGKSA-N -1 3 357.462 3.243 20 0 FGADHM C[C@H]1CC[C@@H](C(F)(F)F)CN1C(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000824910932 609510034 /nfs/dbraw/zinc/51/00/34/609510034.db2.gz ZICANCRAGFPQEY-VHSXEESVSA-N -1 3 370.404 3.226 20 0 FGADHM C[C@H]1CC[C@@H](C(F)(F)F)CN1C(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000824910932 609510036 /nfs/dbraw/zinc/51/00/36/609510036.db2.gz ZICANCRAGFPQEY-VHSXEESVSA-N -1 3 370.404 3.226 20 0 FGADHM COc1ccccc1CCCSc1nc(C)nc(C)c1-c1nnn[n-]1 ZINC000826219946 609515277 /nfs/dbraw/zinc/51/52/77/609515277.db2.gz WWDYOCYISDYMQP-UHFFFAOYSA-N -1 3 356.455 3.007 20 0 FGADHM COc1ccccc1CCCSc1nc(C)nc(C)c1-c1nn[n-]n1 ZINC000826219946 609515278 /nfs/dbraw/zinc/51/52/78/609515278.db2.gz WWDYOCYISDYMQP-UHFFFAOYSA-N -1 3 356.455 3.007 20 0 FGADHM O=C(CSCc1c(F)cccc1F)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000826419856 609517751 /nfs/dbraw/zinc/51/77/51/609517751.db2.gz ORVXCPPNELOYNH-UHFFFAOYSA-N -1 3 361.377 3.017 20 0 FGADHM O=C(CSCc1c(F)cccc1F)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000826419856 609517752 /nfs/dbraw/zinc/51/77/52/609517752.db2.gz ORVXCPPNELOYNH-UHFFFAOYSA-N -1 3 361.377 3.017 20 0 FGADHM Cc1c(Cl)cnc(NCc2ccc(OC(F)F)cc2)c1-c1nnn[n-]1 ZINC000826240085 609522351 /nfs/dbraw/zinc/52/23/51/609522351.db2.gz BAAAQLCKDDTWHV-UHFFFAOYSA-N -1 3 366.759 3.437 20 0 FGADHM Cc1c(Cl)cnc(NCc2ccc(OC(F)F)cc2)c1-c1nn[n-]n1 ZINC000826240085 609522352 /nfs/dbraw/zinc/52/23/52/609522352.db2.gz BAAAQLCKDDTWHV-UHFFFAOYSA-N -1 3 366.759 3.437 20 0 FGADHM Brc1cc(-c2nnn[n-]2)ccc1CS[C@H]1CCCOC1 ZINC000823821605 609525301 /nfs/dbraw/zinc/52/53/01/609525301.db2.gz WWWOVQDOZFBANO-NSHDSACASA-N -1 3 355.261 3.041 20 0 FGADHM Brc1cc(-c2nn[n-]n2)ccc1CS[C@H]1CCCOC1 ZINC000823821605 609525302 /nfs/dbraw/zinc/52/53/02/609525302.db2.gz WWWOVQDOZFBANO-NSHDSACASA-N -1 3 355.261 3.041 20 0 FGADHM CCCOc1ncccc1CNc1ncc(Cl)c(C)c1-c1nnn[n-]1 ZINC000825341443 609540483 /nfs/dbraw/zinc/54/04/83/609540483.db2.gz DKSWYHYTXQPWSI-UHFFFAOYSA-N -1 3 359.821 3.019 20 0 FGADHM CCCOc1ncccc1CNc1ncc(Cl)c(C)c1-c1nn[n-]n1 ZINC000825341443 609540486 /nfs/dbraw/zinc/54/04/86/609540486.db2.gz DKSWYHYTXQPWSI-UHFFFAOYSA-N -1 3 359.821 3.019 20 0 FGADHM CCn1cncc1[C@H]1CCCCN1c1ncc(Cl)c(C)c1-c1nnn[n-]1 ZINC000825804548 609543968 /nfs/dbraw/zinc/54/39/68/609543968.db2.gz DNRZBOARWHATQA-CYBMUJFWSA-N -1 3 372.864 3.172 20 0 FGADHM CCn1cncc1[C@H]1CCCCN1c1ncc(Cl)c(C)c1-c1nn[n-]n1 ZINC000825804548 609543970 /nfs/dbraw/zinc/54/39/70/609543970.db2.gz DNRZBOARWHATQA-CYBMUJFWSA-N -1 3 372.864 3.172 20 0 FGADHM Cc1nc([C@@H]2CCCN(c3nccc(C)c3-c3nnn[n-]3)C2)sc1C ZINC000826309819 609544603 /nfs/dbraw/zinc/54/46/03/609544603.db2.gz CNDYYCSUXBPBRZ-CYBMUJFWSA-N -1 3 355.471 3.027 20 0 FGADHM Cc1nc([C@@H]2CCCN(c3nccc(C)c3-c3nn[n-]n3)C2)sc1C ZINC000826309819 609544605 /nfs/dbraw/zinc/54/46/05/609544605.db2.gz CNDYYCSUXBPBRZ-CYBMUJFWSA-N -1 3 355.471 3.027 20 0 FGADHM Cc1ccnc(N(Cc2ccccc2)CC2CCOCC2)c1-c1nnn[n-]1 ZINC000826309309 609550992 /nfs/dbraw/zinc/55/09/92/609550992.db2.gz KYPWTCNJNLGFSH-UHFFFAOYSA-N -1 3 364.453 3.003 20 0 FGADHM Cc1ccnc(N(Cc2ccccc2)CC2CCOCC2)c1-c1nn[n-]n1 ZINC000826309309 609550994 /nfs/dbraw/zinc/55/09/94/609550994.db2.gz KYPWTCNJNLGFSH-UHFFFAOYSA-N -1 3 364.453 3.003 20 0 FGADHM Cc1nc2c(s1)[C@H](Nc1nc3c(cc1-c1nnn[n-]1)CCC3)CCC2 ZINC000826328533 609566114 /nfs/dbraw/zinc/56/61/14/609566114.db2.gz UXOJTCVGQQZALD-CQSZACIVSA-N -1 3 353.455 3.005 20 0 FGADHM Cc1nc2c(s1)[C@H](Nc1nc3c(cc1-c1nn[n-]n1)CCC3)CCC2 ZINC000826328533 609566117 /nfs/dbraw/zinc/56/61/17/609566117.db2.gz UXOJTCVGQQZALD-CQSZACIVSA-N -1 3 353.455 3.005 20 0 FGADHM Cc1c(Cl)cnc(N2CCC[C@@H]2CC(=O)c2ccco2)c1-c1nnn[n-]1 ZINC000826237668 609586226 /nfs/dbraw/zinc/58/62/26/609586226.db2.gz IAHXRXVTISGRGL-LLVKDONJSA-N -1 3 372.816 3.058 20 0 FGADHM Cc1c(Cl)cnc(N2CCC[C@@H]2CC(=O)c2ccco2)c1-c1nn[n-]n1 ZINC000826237668 609586228 /nfs/dbraw/zinc/58/62/28/609586228.db2.gz IAHXRXVTISGRGL-LLVKDONJSA-N -1 3 372.816 3.058 20 0 FGADHM CC[C@@H]1C[C@H](C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CCO1 ZINC000825184504 609588704 /nfs/dbraw/zinc/58/87/04/609588704.db2.gz VLSSTAWDAJKHOA-MWLCHTKSSA-N -1 3 369.347 3.029 20 0 FGADHM CC[C@@H]1C[C@H](C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CCO1 ZINC000825184504 609588707 /nfs/dbraw/zinc/58/87/07/609588707.db2.gz VLSSTAWDAJKHOA-MWLCHTKSSA-N -1 3 369.347 3.029 20 0 FGADHM CCCn1nc(C)c(C(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)c1C ZINC000825362477 609620281 /nfs/dbraw/zinc/62/02/81/609620281.db2.gz MGYGAQHYZUTKPE-UHFFFAOYSA-N -1 3 374.832 3.100 20 0 FGADHM CCCn1nc(C)c(C(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)c1C ZINC000825362477 609620282 /nfs/dbraw/zinc/62/02/82/609620282.db2.gz MGYGAQHYZUTKPE-UHFFFAOYSA-N -1 3 374.832 3.100 20 0 FGADHM O=C(Nc1ccn(C2CCSCC2)n1)c1c[n-]c2ccccc2c1=O ZINC000633858990 677066729 /nfs/dbraw/zinc/06/67/29/677066729.db2.gz MTQNPUBLDKWLED-UHFFFAOYSA-N -1 3 354.435 3.045 20 0 FGADHM O=C(OCc1cc2c(cc1Br)OCO2)c1ccc([O-])cc1 ZINC000004960154 695545139 /nfs/dbraw/zinc/54/51/39/695545139.db2.gz DCLPUJGQZKKHSC-UHFFFAOYSA-N -1 3 351.152 3.240 20 0 FGADHM C[C@H]1CCN(C(=O)COC(=O)c2ccc([O-])cc2)c2ccccc2S1 ZINC000005060798 695545731 /nfs/dbraw/zinc/54/57/31/695545731.db2.gz JBQDGNXWGARAMB-ZDUSSCGKSA-N -1 3 357.431 3.467 20 0 FGADHM Nc1nc(COC(=O)c2ccc([O-])cc2)nc2sc3c(c21)CCCC3 ZINC000018321441 695637080 /nfs/dbraw/zinc/63/70/80/695637080.db2.gz FMYKOCNBPOCYRA-UHFFFAOYSA-N -1 3 355.419 3.215 20 0 FGADHM Cc1c(C(=O)Nc2nnc(C(F)(F)F)[n-]2)cnn1-c1cccc(Cl)c1 ZINC000026251288 695682242 /nfs/dbraw/zinc/68/22/42/695682242.db2.gz COSOATMSXJQIGR-UHFFFAOYSA-N -1 3 370.722 3.223 20 0 FGADHM Cc1c(C(=O)Nc2nc(C(F)(F)F)n[n-]2)cnn1-c1cccc(Cl)c1 ZINC000026251288 695682244 /nfs/dbraw/zinc/68/22/44/695682244.db2.gz COSOATMSXJQIGR-UHFFFAOYSA-N -1 3 370.722 3.223 20 0 FGADHM C[C@@H](Sc1ccc(Cl)cc1)C(=O)N[N-]C(=O)c1ccccc1F ZINC000026691182 695686752 /nfs/dbraw/zinc/68/67/52/695686752.db2.gz SETPJNUFJSOSEM-SNVBAGLBSA-N -1 3 352.818 3.421 20 0 FGADHM O=C(C[N-]S(=O)(=O)c1cccc(Cl)c1Cl)OCc1ccccc1 ZINC000028776679 695705866 /nfs/dbraw/zinc/70/58/66/695705866.db2.gz WJAPSQPBBHOFBJ-UHFFFAOYSA-N -1 3 374.245 3.015 20 0 FGADHM C[C@H]1C[C@H](C)CN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)C1 ZINC000029738434 695715890 /nfs/dbraw/zinc/71/58/90/695715890.db2.gz KLIVQHUVKYVBME-STQMWFEESA-N -1 3 370.490 3.021 20 0 FGADHM CC(C)CC[C@H](C)NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000029787900 695716550 /nfs/dbraw/zinc/71/65/50/695716550.db2.gz LFYSGUMDQYGSAE-ZDUSSCGKSA-N -1 3 372.506 3.457 20 0 FGADHM O=C([N-]Cc1ccc(OCC(F)(F)F)nc1)C(F)(F)c1ccccc1 ZINC000044524004 695809007 /nfs/dbraw/zinc/80/90/07/695809007.db2.gz BEOZOWGDCXNZOX-UHFFFAOYSA-N -1 3 360.282 3.431 20 0 FGADHM CC[C@H](C(=O)[O-])N(C)CC(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000044620205 695810169 /nfs/dbraw/zinc/81/01/69/695810169.db2.gz HPYGSQWCZDSIRF-LLVKDONJSA-N -1 3 353.633 3.380 20 0 FGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(F)cc2F)ccc1F ZINC000046120308 695833092 /nfs/dbraw/zinc/83/30/92/695833092.db2.gz HEHUZASEZQPDSE-UHFFFAOYSA-N -1 3 372.368 3.043 20 0 FGADHM O=C(OCc1ccccc1Cl)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000046333579 695837673 /nfs/dbraw/zinc/83/76/73/695837673.db2.gz DLEARLLQLBOKBX-MRXNPFEDSA-N -1 3 359.809 3.394 20 0 FGADHM Cc1cc(C(=O)N[N-]C(=O)c2ccc(Br)cc2Cl)c(C)o1 ZINC000048185763 695874352 /nfs/dbraw/zinc/87/43/52/695874352.db2.gz GDWAKUFHJKHQSX-UHFFFAOYSA-N -1 3 371.618 3.387 20 0 FGADHM O=C(Cc1nc(=O)c2c3c(sc2[n-]1)SCCC3)OC1CCCCC1 ZINC000053844602 695933383 /nfs/dbraw/zinc/93/33/83/695933383.db2.gz QBGLJJSPQCWXMA-UHFFFAOYSA-N -1 3 364.492 3.441 20 0 FGADHM Cn1cc(-c2ncc(C(=O)[N-]c3n[nH]c(-c4cccs4)n3)s2)cn1 ZINC000069701991 695952387 /nfs/dbraw/zinc/95/23/87/695952387.db2.gz GNXPHACTMLQTSR-UHFFFAOYSA-N -1 3 357.424 3.027 20 0 FGADHM Cc1ccccc1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000075691696 700217557 /nfs/dbraw/zinc/21/75/57/700217557.db2.gz AGQNVZCVNCJQEB-UHFFFAOYSA-N -1 3 364.442 3.463 20 0 FGADHM CC(=O)c1cc(F)cc(CN(C)CC(=O)Nc2ccccc2Cl)c1[O-] ZINC000079385334 700298582 /nfs/dbraw/zinc/29/85/82/700298582.db2.gz KLWYXQFPAMWSHA-UHFFFAOYSA-N -1 3 364.804 3.458 20 0 FGADHM COc1cc[n-]c(=NNC(=O)CCCn2ccc3cc(Cl)ccc32)n1 ZINC000089707517 700394154 /nfs/dbraw/zinc/39/41/54/700394154.db2.gz XWLNPBKTVPXIAU-UHFFFAOYSA-N -1 3 359.817 3.017 20 0 FGADHM Cc1c2cc(F)ccc2sc1C(=O)[N-]n1cnc2ccccc2c1=O ZINC000097026258 700460513 /nfs/dbraw/zinc/46/05/13/700460513.db2.gz IUBSBTJUHSEMRQ-UHFFFAOYSA-N -1 3 353.378 3.443 20 0 FGADHM COc1ccccc1-c1nc([N-]C(=O)c2nc(Cl)ccc2Cl)n[nH]1 ZINC000109010633 700528994 /nfs/dbraw/zinc/52/89/94/700528994.db2.gz WIWMNLMNTWETHP-UHFFFAOYSA-N -1 3 364.192 3.434 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2cc(F)c(N3CCCC3)c(F)c2)cc1 ZINC000109425625 700535028 /nfs/dbraw/zinc/53/50/28/700535028.db2.gz HEPFYUAKBZQWHU-UHFFFAOYSA-N -1 3 368.405 3.374 20 0 FGADHM CCCS(=O)(=O)CCSc1nnc([N-]c2ccccc2F)s1 ZINC000133024499 700834126 /nfs/dbraw/zinc/83/41/26/700834126.db2.gz AEOLTIAYSPMFMG-UHFFFAOYSA-N -1 3 361.489 3.338 20 0 FGADHM Cc1cccc([C@@H](O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)c1 ZINC000134490047 704823434 /nfs/dbraw/zinc/82/34/34/704823434.db2.gz NIYQQRFQLJENHZ-AWEZNQCLSA-N -1 3 360.262 3.314 20 0 FGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2C[C@@H](C)CCC[C@H]2C)ccc1F ZINC000150837964 704902649 /nfs/dbraw/zinc/90/26/49/704902649.db2.gz KAXZQUBXAHVGRX-UONOGXRCSA-N -1 3 370.490 3.163 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCOC[C@H]3C)cc2)cc1F ZINC000154551266 705038830 /nfs/dbraw/zinc/03/88/30/705038830.db2.gz LALOVWUPBCZRDA-CQSZACIVSA-N -1 3 364.442 3.160 20 0 FGADHM O=C(NN=c1cncc(Cl)[n-]1)N[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000155562048 705083244 /nfs/dbraw/zinc/08/32/44/705083244.db2.gz LVNHSDYXOPNPLV-GMSGAONNSA-N -1 3 356.188 3.105 20 0 FGADHM O=S(=O)([N-]C[C@H](O)c1ccc(Cl)cc1)c1cccc(Cl)c1F ZINC000159334247 705219887 /nfs/dbraw/zinc/21/98/87/705219887.db2.gz UDASDVQXLVBXCS-LBPRGKRZSA-N -1 3 364.225 3.144 20 0 FGADHM CCc1nc([C@H](C)[N-]S(=O)(=O)c2ccc(Cl)nc2Cl)cs1 ZINC000171779586 705395135 /nfs/dbraw/zinc/39/51/35/705395135.db2.gz FZTBDTGENYYOIM-ZETCQYMHSA-N -1 3 366.295 3.447 20 0 FGADHM C[C@@H]1CCCN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)[C@@H]1C ZINC000172652419 705425158 /nfs/dbraw/zinc/42/51/58/705425158.db2.gz ACULNCVPWXQOCE-CHWSQXEVSA-N -1 3 370.490 3.163 20 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359.495 3.371 20 0 FGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)NCC2CC(C)(C)C2)ccc1F ZINC000781115663 724529500 /nfs/dbraw/zinc/52/95/00/724529500.db2.gz BMUVGEIARCOPMT-UHFFFAOYSA-N -1 3 370.490 3.069 20 0 FGADHM Cc1c(Br)ccc([O-])c1NC(=O)c1n[nH]c2c1CCCC2 ZINC000650946282 718747456 /nfs/dbraw/zinc/74/74/56/718747456.db2.gz MBIZAANNRXUOCX-UHFFFAOYSA-N -1 3 350.216 3.317 20 0 FGADHM Cc1cc(Br)sc1S(=O)(=O)[N-][C@H](C)c1cccnc1 ZINC000651502788 718821194 /nfs/dbraw/zinc/82/11/94/718821194.db2.gz ZRQHGJAOEDRAFJ-SECBINFHSA-N -1 3 361.286 3.254 20 0 FGADHM Cc1csc(C[N-]S(=O)(=O)c2sc(Br)cc2C)n1 ZINC000651507456 718822012 /nfs/dbraw/zinc/82/20/12/718822012.db2.gz XRYJXGWVBNBOBM-UHFFFAOYSA-N -1 3 367.315 3.062 20 0 FGADHM [O-]C(Nc1n[nH]c2c1cccc2Cl)=C(C[C@@H]1CCCO1)C(F)(F)F ZINC000651547602 718829013 /nfs/dbraw/zinc/82/90/13/718829013.db2.gz OLHWVGUFGMSZIQ-WPRPVWTQSA-N -1 3 361.751 3.324 20 0 FGADHM O=C([O-])[C@@H]1Cc2c(Br)cccc2CN1CCC[C@H]1CCOC1 ZINC000652489708 718950479 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O=S(=O)(Cc1ccc(Cl)c(C(F)(F)F)c1)c1nnc(C2CC2)[n-]1 ZINC000656554933 719408196 /nfs/dbraw/zinc/40/81/96/719408196.db2.gz XGEQOKWAKOGJMZ-UHFFFAOYSA-N -1 3 365.764 3.328 20 0 FGADHM CO[C@H](CS(=O)(=O)[N-]c1c(F)cc(F)cc1F)C1CCCCC1 ZINC000656623110 719423004 /nfs/dbraw/zinc/42/30/04/719423004.db2.gz BOONARIOOWAECR-CQSZACIVSA-N -1 3 351.390 3.441 20 0 FGADHM CC[C@H](C)Oc1cccc(S(=O)(=O)[N-]c2c(F)cccc2CO)c1 ZINC000656626448 719424641 /nfs/dbraw/zinc/42/46/41/719424641.db2.gz PRLAPXIWCMOPBV-LBPRGKRZSA-N -1 3 353.415 3.296 20 0 FGADHM O=S(=O)(Cc1ccc(OC(F)(F)F)cc1)[N-]c1c[nH]nc1C1CC1 ZINC000656739569 719460237 /nfs/dbraw/zinc/46/02/37/719460237.db2.gz VZYMIABXFMATRO-UHFFFAOYSA-N -1 3 361.345 3.128 20 0 FGADHM O=c1[nH]c2cc(F)c(S(=O)(=O)[N-][C@H]3CCCC34CCCCC4)cc2o1 ZINC000657040852 719551678 /nfs/dbraw/zinc/55/16/78/719551678.db2.gz SWBXKYOOODDCEM-HNNXBMFYSA-N -1 3 368.430 3.042 20 0 FGADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]C[C@@H]2CCC[C@H]3C[C@H]32)cc1Cl ZINC000657148835 719575185 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COc1ccc(Cl)c(CN2CCC(C[N-]C(=O)C(F)(F)F)CC2)c1 ZINC000799173441 723994742 /nfs/dbraw/zinc/99/47/42/723994742.db2.gz BUZZNKMXEUAQOG-UHFFFAOYSA-N -1 3 364.795 3.239 20 0 FGADHM O=C(N[C@H]1CCN(c2ccccc2Cl)C1=O)c1cccc(Cl)c1[O-] ZINC000775732381 724033195 /nfs/dbraw/zinc/03/31/95/724033195.db2.gz NHUFGAKXKJOEIH-ZDUSSCGKSA-N -1 3 365.216 3.234 20 0 FGADHM CCOCC1(C(=O)O[C@@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)CC1 ZINC000799559136 724060233 /nfs/dbraw/zinc/06/02/33/724060233.db2.gz SZHZUJCWVYNJGB-JTQLQIEISA-N -1 3 350.440 3.435 20 0 FGADHM CC(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)c2cccc(Cl)c2[O-])cc1 ZINC000775934593 724086391 /nfs/dbraw/zinc/08/63/91/724086391.db2.gz ACULYHIOHSPCDD-LLVKDONJSA-N -1 3 361.781 3.432 20 0 FGADHM O=S(=O)(/C=C/c1ccccc1F)[N-]c1ccccc1O[C@H]1CCOC1 ZINC000799922552 724113495 /nfs/dbraw/zinc/11/34/95/724113495.db2.gz KKPFFVAZXBBYLI-PABFRNLHSA-N -1 3 363.410 3.406 20 0 FGADHM Cc1ccc(C2=NO[C@H](C[N-]S(=O)(=O)c3ccc(Cl)s3)C2)cc1 ZINC000800201791 724165528 /nfs/dbraw/zinc/16/55/28/724165528.db2.gz RSTZNBSCOQRLMP-LBPRGKRZSA-N -1 3 370.883 3.181 20 0 FGADHM O=C(OCc1cccc(Br)c1)c1cc(F)cc2[n-]nnc21 ZINC000800262970 724172411 /nfs/dbraw/zinc/17/24/11/724172411.db2.gz RDEDNLSVGBUHTN-UHFFFAOYSA-N -1 3 350.147 3.217 20 0 FGADHM O=C(OCc1cccc(Br)c1)c1cc(F)cc2nn[n-]c21 ZINC000800262970 724172412 /nfs/dbraw/zinc/17/24/12/724172412.db2.gz RDEDNLSVGBUHTN-UHFFFAOYSA-N -1 3 350.147 3.217 20 0 FGADHM O=C(OCc1cccc(Br)c1)c1cc(F)cc2n[n-]nc21 ZINC000800262970 724172414 /nfs/dbraw/zinc/17/24/14/724172414.db2.gz RDEDNLSVGBUHTN-UHFFFAOYSA-N -1 3 350.147 3.217 20 0 FGADHM Cc1csc([C@H](C)[N-]S(=O)(=O)c2cc3c(cc2Cl)CCC3=O)n1 ZINC000800908926 724246213 /nfs/dbraw/zinc/24/62/13/724246213.db2.gz JIAURHCIYNVGKU-VIFPVBQESA-N -1 3 370.883 3.273 20 0 FGADHM COc1cc(C(=O)OCc2noc(-c3ccccc3[O-])n2)ccc1Cl ZINC000784404485 724850657 /nfs/dbraw/zinc/85/06/57/724850657.db2.gz AILZJMMUSNDYJA-UHFFFAOYSA-N -1 3 360.753 3.461 20 0 FGADHM Cc1sc2[n-]c([C@@H](C)OC(=O)CN3[C@H](C)CC[C@@H]3C)nc(=O)c2c1C ZINC000785731020 724933069 /nfs/dbraw/zinc/93/30/69/724933069.db2.gz MSGKXZFRYAXTKB-JFGNBEQYSA-N -1 3 363.483 3.491 20 0 FGADHM O=C(OCc1nc(-c2ccccn2)no1)c1cc2sccc2c([O-])c1 ZINC000786131688 724962048 /nfs/dbraw/zinc/96/20/48/724962048.db2.gz PHZGTRZPBQYXNA-UHFFFAOYSA-N -1 3 353.359 3.409 20 0 FGADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1cc(F)cc(Br)c1F ZINC000786472186 724982397 /nfs/dbraw/zinc/98/23/97/724982397.db2.gz CBANQEMQDSTZDA-SNVBAGLBSA-N -1 3 351.147 3.307 20 0 FGADHM O=C([N-]O[C@@H]1CCCCO1)Nc1cc(F)cc(Br)c1F ZINC000786472186 724982398 /nfs/dbraw/zinc/98/23/98/724982398.db2.gz CBANQEMQDSTZDA-SNVBAGLBSA-N -1 3 351.147 3.307 20 0 FGADHM O=S(=O)([N-]Cc1ccccc1OCC1CC1)c1cnc(Cl)c(F)c1 ZINC000805013358 725043961 /nfs/dbraw/zinc/04/39/61/725043961.db2.gz TWZPBDVKYREEQL-UHFFFAOYSA-N -1 3 370.833 3.141 20 0 FGADHM O=S(=O)([N-]C12CCC(CC1)C2)c1c(F)cccc1OC(F)(F)F ZINC000805060565 725047410 /nfs/dbraw/zinc/04/74/10/725047410.db2.gz 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725117736 /nfs/dbraw/zinc/11/77/36/725117736.db2.gz YBBPWRRXADWGQU-UHFFFAOYSA-N -1 3 372.229 3.097 20 0 FGADHM Cn1cccc1C(=O)C(=O)[N-]c1cc(-c2ccccc2Br)no1 ZINC000806843325 725146076 /nfs/dbraw/zinc/14/60/76/725146076.db2.gz NRAQFZBMFSOWFL-UHFFFAOYSA-N -1 3 374.194 3.264 20 0 FGADHM Cc1cnc(Cl)c([N-]S(=O)(=O)c2cccnc2C(F)(F)F)c1 ZINC000808559493 725207066 /nfs/dbraw/zinc/20/70/66/725207066.db2.gz QXCSNJFWPKQBNF-UHFFFAOYSA-N -1 3 351.737 3.258 20 0 FGADHM O=C([N-]C[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1)C(F)(F)F ZINC000810068580 725286321 /nfs/dbraw/zinc/28/63/21/725286321.db2.gz SKNJGXMWWLANKO-SNVBAGLBSA-N -1 3 352.759 3.370 20 0 FGADHM O=C(OCCOCCOC[C@@H]1CCCO1)c1cc2cc(Cl)sc2[n-]1 ZINC000810861642 725331896 /nfs/dbraw/zinc/33/18/96/725331896.db2.gz BXZHZRIBTARLSP-LBPRGKRZSA-N -1 3 373.858 3.252 20 0 FGADHM CCOC(=O)N1CCC[C@H]([C@H](C)NC(=O)c2cc([O-])ccc2Cl)C1 ZINC000811193053 725349905 /nfs/dbraw/zinc/34/99/05/725349905.db2.gz GFNVFTKFOZAQAE-RYUDHWBXSA-N -1 3 354.834 3.032 20 0 FGADHM O=C(NC[C@H](O)c1cccc(Br)c1)c1cc([O-])ccc1Cl ZINC000811495571 725369616 /nfs/dbraw/zinc/36/96/16/725369616.db2.gz GAFOKUDGXMOGQR-AWEZNQCLSA-N -1 3 370.630 3.272 20 0 FGADHM Cn1c(=O)n(C)c2cc(NC(=S)Nc3ccc(Cl)cc3)c([O-])cc21 ZINC000811721342 725378342 /nfs/dbraw/zinc/37/83/42/725378342.db2.gz YGVNXOBNSHUKFI-UHFFFAOYSA-N -1 3 362.842 3.045 20 0 FGADHM O=C([N-]C[C@H]1CCCN(c2ccnc3cc(F)ccc32)C1)C(F)(F)F ZINC000811856687 725383227 /nfs/dbraw/zinc/38/32/27/725383227.db2.gz TUMAYAWVMGDEEY-LLVKDONJSA-N -1 3 355.335 3.269 20 0 FGADHM CC[C@@H]1CCCC[C@H]1NC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000811864509 725383373 /nfs/dbraw/zinc/38/33/73/725383373.db2.gz BWCMBSQOFFWRND-MGPQQGTHSA-N -1 3 363.424 3.055 20 0 FGADHM CC1(C)CCCC[C@H]1NC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000811894404 725384178 /nfs/dbraw/zinc/38/41/78/725384178.db2.gz SKINIZJWPAZKRV-QWHCGFSZSA-N -1 3 363.424 3.055 20 0 FGADHM CCOc1cc(Br)c(CC(=O)[N-]OC2CCC2)cc1OCC ZINC000812788354 726811830 /nfs/dbraw/zinc/81/18/30/726811830.db2.gz UTTXPCSAUMFBKB-UHFFFAOYSA-N -1 3 372.259 3.389 20 0 FGADHM CCCC[C@@H](C)N(C)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000813303356 726859720 /nfs/dbraw/zinc/85/97/20/726859720.db2.gz HIZYTLQEBJJETE-CYBMUJFWSA-N -1 3 358.479 3.163 20 0 FGADHM CN(Cc1ccc([O-])c(F)c1)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000813336747 726862368 /nfs/dbraw/zinc/86/23/68/726862368.db2.gz SRVNRJQQSGUGMC-UHFFFAOYSA-N -1 3 355.312 3.493 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)[C@@H](O)c2ccccc2)o1 ZINC000813714999 726907950 /nfs/dbraw/zinc/90/79/50/726907950.db2.gz OBUOWOKKLRGMGJ-MOPGFXCFSA-N -1 3 357.431 3.341 20 0 FGADHM O=S(=O)([N-]C[C@H](c1ccccc1)C1CC1)c1cnc(Cl)c(F)c1 ZINC000814278512 726952560 /nfs/dbraw/zinc/95/25/60/726952560.db2.gz USLDATLYFJDNFG-CQSZACIVSA-N -1 3 354.834 3.346 20 0 FGADHM COC(=O)c1cc(C(=O)OCc2ncc(-c3cccc(Cl)c3)o2)c[n-]1 ZINC000814530281 726978406 /nfs/dbraw/zinc/97/84/06/726978406.db2.gz MVQSWKNWAMRDPE-UHFFFAOYSA-N -1 3 360.753 3.467 20 0 FGADHM CCOC(=O)c1ccc(NC(=O)[C@@](C)(O)c2ccc(Cl)cc2)c([O-])c1 ZINC000815878289 727103575 /nfs/dbraw/zinc/10/35/75/727103575.db2.gz AGIVHWROHHDDTH-SFHVURJKSA-N -1 3 363.797 3.069 20 0 FGADHM O=C([N-]C[C@@H]1Cc2ccccc2N1CCCCCCCO)C(F)(F)F ZINC000817295214 727237872 /nfs/dbraw/zinc/23/78/72/727237872.db2.gz WCMGOHZFLPLXMT-HNNXBMFYSA-N -1 3 358.404 3.039 20 0 FGADHM O=C(CCC[S@@](=O)c1ccc(Br)cc1)[N-]OCCC1CC1 ZINC000817416705 727249401 /nfs/dbraw/zinc/24/94/01/727249401.db2.gz QSWIVENFOZOTKB-OAQYLSRUSA-N -1 3 374.300 3.185 20 0 FGADHM CC(C)(C)OC(=O)NCCC(C)(C)NC(=O)c1cc([O-])ccc1Cl ZINC000817658756 727275563 /nfs/dbraw/zinc/27/55/63/727275563.db2.gz KGNZDRXZTFKUGS-UHFFFAOYSA-N -1 3 356.850 3.469 20 0 FGADHM O=C(Nc1cc2c(cc1Cl)OCCCO2)c1[n-]cnc1C(F)(F)F ZINC000820113704 728967870 /nfs/dbraw/zinc/96/78/70/728967870.db2.gz AKXGEGSANMFMLT-UHFFFAOYSA-N -1 3 361.707 3.496 20 0 FGADHM O=C(Nc1cc2c(cc1Cl)OCCCO2)c1nc[n-]c1C(F)(F)F ZINC000820113704 728967873 /nfs/dbraw/zinc/96/78/73/728967873.db2.gz AKXGEGSANMFMLT-UHFFFAOYSA-N -1 3 361.707 3.496 20 0 FGADHM C[C@@]1(CNc2ccc(Br)cc2-c2nnn[n-]2)CCCS1 ZINC000824830169 729360660 /nfs/dbraw/zinc/36/06/60/729360660.db2.gz IHTCFPVHESBWBZ-ZDUSSCGKSA-N -1 3 354.277 3.327 20 0 FGADHM C[C@@]1(CNc2ccc(Br)cc2-c2nn[n-]n2)CCCS1 ZINC000824830169 729360663 /nfs/dbraw/zinc/36/06/63/729360663.db2.gz IHTCFPVHESBWBZ-ZDUSSCGKSA-N -1 3 354.277 3.327 20 0 FGADHM C[C@@H]1CCC[C@@H]1C(=O)Nc1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000824925568 729365430 /nfs/dbraw/zinc/36/54/30/729365430.db2.gz FHOWJZXUAMSRIA-MFKMUULPSA-N -1 3 354.439 3.365 20 0 FGADHM C[C@@H]1CCC[C@@H]1C(=O)Nc1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000824925568 729365431 /nfs/dbraw/zinc/36/54/31/729365431.db2.gz FHOWJZXUAMSRIA-MFKMUULPSA-N -1 3 354.439 3.365 20 0 FGADHM CCCCCNC(=O)[C@@H](C)Sc1cccc(Cl)c1-c1nnn[n-]1 ZINC000825276004 729376694 /nfs/dbraw/zinc/37/66/94/729376694.db2.gz MABMLZASKKESON-SNVBAGLBSA-N -1 3 353.879 3.307 20 0 FGADHM CCCCCNC(=O)[C@@H](C)Sc1cccc(Cl)c1-c1nn[n-]n1 ZINC000825276004 729376697 /nfs/dbraw/zinc/37/66/97/729376697.db2.gz MABMLZASKKESON-SNVBAGLBSA-N -1 3 353.879 3.307 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)[C@H]1CCC[C@H]1C ZINC000825604694 729389260 /nfs/dbraw/zinc/38/92/60/729389260.db2.gz JXHDVKIYCGYPNK-KOLCDFICSA-N -1 3 350.806 3.260 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)[C@H]1CCC[C@H]1C ZINC000825604694 729389261 /nfs/dbraw/zinc/38/92/61/729389261.db2.gz JXHDVKIYCGYPNK-KOLCDFICSA-N -1 3 350.806 3.260 20 0 FGADHM Cc1cc(C(F)(F)C(=O)[N-]CC2(O)CCC(F)(F)CC2)cnc1Cl ZINC000826018805 729402534 /nfs/dbraw/zinc/40/25/34/729402534.db2.gz NGOUNVDYOBONTG-UHFFFAOYSA-N -1 3 368.758 3.192 20 0 FGADHM COc1ccc(CSc2nnc(C)c(C)c2-c2nnn[n-]2)cc1Cl ZINC000826207719 729406018 /nfs/dbraw/zinc/40/60/18/729406018.db2.gz ABNQHLACXLMQSC-UHFFFAOYSA-N -1 3 362.846 3.228 20 0 FGADHM COc1ccc(CSc2nnc(C)c(C)c2-c2nn[n-]n2)cc1Cl ZINC000826207719 729406020 /nfs/dbraw/zinc/40/60/20/729406020.db2.gz ABNQHLACXLMQSC-UHFFFAOYSA-N -1 3 362.846 3.228 20 0 FGADHM Cc1cccc(F)c1NCC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826298086 729406917 /nfs/dbraw/zinc/40/69/17/729406917.db2.gz CYJZPZQFWAQNRB-UHFFFAOYSA-N -1 3 360.780 3.018 20 0 FGADHM Cc1cccc(F)c1NCC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826298086 729406919 /nfs/dbraw/zinc/40/69/19/729406919.db2.gz CYJZPZQFWAQNRB-UHFFFAOYSA-N -1 3 360.780 3.018 20 0 FGADHM Cc1cc(Br)cc(C)c1CNc1cnccc1-c1nnn[n-]1 ZINC000826256331 729407005 /nfs/dbraw/zinc/40/70/05/729407005.db2.gz DJBQOGOBAVHHKL-UHFFFAOYSA-N -1 3 359.231 3.253 20 0 FGADHM Cc1cc(Br)cc(C)c1CNc1cnccc1-c1nn[n-]n1 ZINC000826256331 729407007 /nfs/dbraw/zinc/40/70/07/729407007.db2.gz DJBQOGOBAVHHKL-UHFFFAOYSA-N -1 3 359.231 3.253 20 0 FGADHM Clc1ccc(CN2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)o1 ZINC000826352157 729407444 /nfs/dbraw/zinc/40/74/44/729407444.db2.gz PUNUTUYBMPKPHP-UHFFFAOYSA-N -1 3 359.817 3.157 20 0 FGADHM Clc1cc(-c2nn[n-]n2)ccc1-n1ccc(NCc2ccsc2)n1 ZINC000826351127 729407463 /nfs/dbraw/zinc/40/74/63/729407463.db2.gz XYSWGKXIGKALAY-UHFFFAOYSA-N -1 3 357.830 3.379 20 0 FGADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)[C@@H]1CCc2c1cccc2Cl ZINC000826468130 729408322 /nfs/dbraw/zinc/40/83/22/729408322.db2.gz BOJDYNDEMWURCX-GFCCVEGCSA-N -1 3 358.760 3.295 20 0 FGADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)[C@@H]1CCc2c1cccc2Cl ZINC000826468130 729408323 /nfs/dbraw/zinc/40/83/23/729408323.db2.gz BOJDYNDEMWURCX-GFCCVEGCSA-N -1 3 358.760 3.295 20 0 FGADHM C[C@H](C[N-]S(=O)(=O)c1cc2c(cc1Cl)CCC2=O)CC(F)F ZINC000827882714 729436547 /nfs/dbraw/zinc/43/65/47/729436547.db2.gz YMIMAYVOLJAIBO-QMMMGPOBSA-N -1 3 351.802 3.039 20 0 FGADHM CSc1ccc([O-])c(C(=O)N2Cc3cccnc3N3CCC[C@H]3C2)c1 ZINC000829038851 729452563 /nfs/dbraw/zinc/45/25/63/729452563.db2.gz QNGWBQUVKXQNOI-AWEZNQCLSA-N -1 3 355.463 3.134 20 0 FGADHM CC(C)CO[N-]C(=O)Cc1ccc(Br)c(Br)c1 ZINC000830893338 729599766 /nfs/dbraw/zinc/59/97/66/729599766.db2.gz ILDPKFPSZFBWNM-UHFFFAOYSA-N -1 3 365.065 3.458 20 0 FGADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1cc(Cl)c(OC)c(Cl)c1 ZINC000836357546 729952930 /nfs/dbraw/zinc/95/29/30/729952930.db2.gz KQRDGJYRWWUXGF-UHFFFAOYSA-N -1 3 365.213 3.397 20 0 FGADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1cc(Cl)c(OC)c(Cl)c1 ZINC000836357546 729952932 /nfs/dbraw/zinc/95/29/32/729952932.db2.gz KQRDGJYRWWUXGF-UHFFFAOYSA-N -1 3 365.213 3.397 20 0 FGADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1cc(F)c(OC(C)C)c(F)c1 ZINC000836506151 729958187 /nfs/dbraw/zinc/95/81/87/729958187.db2.gz YFPQEJRTIGLPSV-UHFFFAOYSA-N -1 3 360.357 3.147 20 0 FGADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1cc(F)c(OC(C)C)c(F)c1 ZINC000836506151 729958188 /nfs/dbraw/zinc/95/81/88/729958188.db2.gz YFPQEJRTIGLPSV-UHFFFAOYSA-N -1 3 360.357 3.147 20 0 FGADHM CC(C)[C@H](CO)O[N-]C(=O)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1 ZINC000836899955 729973490 /nfs/dbraw/zinc/97/34/90/729973490.db2.gz ATLTUVLKYZXCEZ-YCPHGPKFSA-N -1 3 360.479 3.411 20 0 FGADHM O=C(Nc1cccc([O-])c1F)c1c(Br)nc2n1CCCC2 ZINC000837502706 730035922 /nfs/dbraw/zinc/03/59/22/730035922.db2.gz JUTCFBUXKZOENQ-UHFFFAOYSA-N -1 3 354.179 3.079 20 0 FGADHM CC(C)c1nnc(COC(=O)c2cccc(Br)c2[O-])s1 ZINC000837505955 730036326 /nfs/dbraw/zinc/03/63/26/730036326.db2.gz BERYCDZDGWQACF-UHFFFAOYSA-N -1 3 357.229 3.487 20 0 FGADHM CC(=O)Nc1ccc(Cl)c(C(=O)OCc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000837583250 730044287 /nfs/dbraw/zinc/04/42/87/730044287.db2.gz KYFGNZMMBBNZGN-UHFFFAOYSA-N -1 3 361.785 3.028 20 0 FGADHM O=C(OCc1cc(=O)[n-]c(C2CC2)n1)c1ccc(C(F)(F)F)nc1Cl ZINC000837608860 730047264 /nfs/dbraw/zinc/04/72/64/730047264.db2.gz ZPSLYJRMDNAVHW-UHFFFAOYSA-N -1 3 373.718 3.484 20 0 FGADHM CCc1nnc([C@@H](C)OC(=O)c2cc(Br)c(F)cc2[O-])o1 ZINC000837780717 730063285 /nfs/dbraw/zinc/06/32/85/730063285.db2.gz QKEROKPQIFCLGI-ZCFIWIBFSA-N -1 3 359.151 3.157 20 0 FGADHM CN(C)c1ccc(-n2c([O-])c(CC(F)(F)F)[nH]c2=O)cc1C(F)(F)F ZINC000840904862 730189438 /nfs/dbraw/zinc/18/94/38/730189438.db2.gz DAVYAMBAHORJCZ-VIFPVBQESA-N -1 3 369.265 3.149 20 0 FGADHM C=Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCO[C@@H](C)C3)cc2)cc1 ZINC000840912341 730190297 /nfs/dbraw/zinc/19/02/97/730190297.db2.gz DRKFCCXZXXGIHD-HNNXBMFYSA-N -1 3 358.463 3.356 20 0 FGADHM Cc1nn(Cc2ccc(C)cc2)c(Cl)c1CN1CC[C@@](C)(C(=O)[O-])C1 ZINC000840998868 730202657 /nfs/dbraw/zinc/20/26/57/730202657.db2.gz ZHTKXPIIWCTWNB-LJQANCHMSA-N -1 3 361.873 3.498 20 0 FGADHM C[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@H]2CCC[C@H]2C(C)(C)C)ccc1F ZINC000841453002 730245169 /nfs/dbraw/zinc/24/51/69/730245169.db2.gz MREYAJZLVPHNLQ-HIFRSBDPSA-N -1 3 370.490 3.021 20 0 FGADHM Cc1cc(C[S@](=O)Cc2nc(C(F)(F)F)cc(=O)[n-]2)cc(Cl)n1 ZINC000841722620 730267035 /nfs/dbraw/zinc/26/70/35/730267035.db2.gz JFSQUHHDNOXZSS-QHCPKHFHSA-N -1 3 365.764 3.007 20 0 FGADHM COCC[C@H](NCc1c(Cl)n(-c2ccccc2)nc1C(C)C)C(=O)[O-] ZINC000841806762 730276705 /nfs/dbraw/zinc/27/67/05/730276705.db2.gz IWQNHFDPCMNJBD-HNNXBMFYSA-N -1 3 365.861 3.228 20 0 FGADHM COc1cccc(Sc2ccc(NC(=O)[N-]OC(C)(C)CO)nc2)c1 ZINC000844772403 730766202 /nfs/dbraw/zinc/76/62/02/730766202.db2.gz YKSZHZTYHNIQGB-UHFFFAOYSA-N -1 3 363.439 3.065 20 0 FGADHM CC(C)(C)OC(=O)N1CCC[C@H]1COC(=O)c1ccc(N)c(Cl)c1[O-] ZINC000845193558 730818162 /nfs/dbraw/zinc/81/81/62/730818162.db2.gz KEQDSYLOMIBWNR-JTQLQIEISA-N -1 3 370.833 3.184 20 0 FGADHM O=C([O-])[C@]12CN(Cc3cc(Cl)cc(Br)c3)C[C@H]1COCC2 ZINC000846283046 730943508 /nfs/dbraw/zinc/94/35/08/730943508.db2.gz DGIIOEAMUQIIKQ-XHDPSFHLSA-N -1 3 374.662 3.026 20 0 FGADHM O=C(c1cc([O-])c2ccccc2c1)N1CCC(CO)(C(F)(F)F)CC1 ZINC000885006528 737725308 /nfs/dbraw/zinc/72/53/08/737725308.db2.gz ZFIPFXPWMDZCDY-UHFFFAOYSA-N -1 3 353.340 3.322 20 0 FGADHM C[C@@H](NC(=O)c1cc(=O)[n-]c(C2CC2)n1)c1nc2cc(Cl)ccc2[nH]1 ZINC000847485186 731058018 /nfs/dbraw/zinc/05/80/18/731058018.db2.gz LFAPHZCFDIQOHQ-MRVPVSSYSA-N -1 3 357.801 3.080 20 0 FGADHM C[C@H](NC(=O)c1cc(=O)[n-]c(C2CC2)n1)c1nc2cc(Cl)ccc2[nH]1 ZINC000847485187 731058163 /nfs/dbraw/zinc/05/81/63/731058163.db2.gz LFAPHZCFDIQOHQ-QMMMGPOBSA-N -1 3 357.801 3.080 20 0 FGADHM COC(=O)Nc1cccc([N-]S(=O)(=O)C[C@@H](OC)C2CCCCC2)c1 ZINC000849303695 731245016 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FGADHM CC[C@H](C)N(CC)C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000853812832 731757490 /nfs/dbraw/zinc/75/74/90/731757490.db2.gz PCTGLUOWJITCKV-LBPRGKRZSA-N -1 3 357.476 3.109 20 0 FGADHM CCCNC(=O)OC[C@@H]1CCCCN1C(=O)c1cc(SC)ccc1[O-] ZINC000854459369 731831382 /nfs/dbraw/zinc/83/13/82/731831382.db2.gz ZMJKVKHAPQMXCA-ZDUSSCGKSA-N -1 3 366.483 3.245 20 0 FGADHM O=C([N-]Cc1cc(Cl)ccc1OC(F)F)C(F)(F)C1(O)CCCC1 ZINC000857458037 732132536 /nfs/dbraw/zinc/13/25/36/732132536.db2.gz IBPYHCCZHDVLPY-UHFFFAOYSA-N -1 3 369.742 3.498 20 0 FGADHM O=C([N-]C[C@@H](O)c1cccnc1)C(F)(F)c1cccc(Cl)c1Cl ZINC000857474771 732133079 /nfs/dbraw/zinc/13/30/79/732133079.db2.gz PDCYZQRLKAHJQF-GFCCVEGCSA-N -1 3 361.175 3.330 20 0 FGADHM CC(C)(C)[C@H](Cn1ccnc1)NC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000857709352 732156160 /nfs/dbraw/zinc/15/61/60/732156160.db2.gz SSEKXCUSKITJDR-AWEZNQCLSA-N -1 3 355.360 3.452 20 0 FGADHM Cc1c(Br)ccc([O-])c1NC(=O)c1cn2c(n1)CC[C@H](C)C2 ZINC000857955740 732171961 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CO[C@@H](CS(=O)(=O)[N-]c1cnc(Cl)c(C)c1)c1ccc(F)cc1 ZINC000863406181 732959018 /nfs/dbraw/zinc/95/90/18/732959018.db2.gz WZYAZKSRDHKPII-AWEZNQCLSA-N -1 3 358.822 3.312 20 0 FGADHM CSc1ccc([O-])c(C(=O)N(C)C[C@@H](C)NC(=O)OC(C)(C)C)c1 ZINC000863690185 732996350 /nfs/dbraw/zinc/99/63/50/732996350.db2.gz MICHKCUFHWDQRN-LLVKDONJSA-N -1 3 354.472 3.099 20 0 FGADHM Cc1ccc(C[C@@H](NCc2cccnc2Br)C(=O)[O-])cc1C ZINC000864517605 733071291 /nfs/dbraw/zinc/07/12/91/733071291.db2.gz XZVPRRQZTIEFQL-OAHLLOKOSA-N -1 3 363.255 3.246 20 0 FGADHM Cc1cnc(CN[C@@H](Cc2ccc(OC(F)(F)F)cc2)C(=O)[O-])s1 ZINC000864529846 733073943 /nfs/dbraw/zinc/07/39/43/733073943.db2.gz ZYAOGSQRIXPKFC-LBPRGKRZSA-N -1 3 360.357 3.136 20 0 FGADHM COc1ccc2c(c1)CC[C@H]2Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000866328957 733337016 /nfs/dbraw/zinc/33/70/16/733337016.db2.gz WZRCBPXTBJHMKH-MRXNPFEDSA-N -1 3 362.451 3.175 20 0 FGADHM CC[C@H](NCc1nc2c(c(=O)[n-]1)COCC2)c1cccc(Cl)c1F ZINC000866627728 733376477 /nfs/dbraw/zinc/37/64/77/733376477.db2.gz BZYVCPDCGGJFEJ-ZDUSSCGKSA-N -1 3 351.809 3.288 20 0 FGADHM C[C@H](NCc1nc2c(c(=O)[n-]1)COCC2)c1ccc(Cl)cc1Cl ZINC000866628267 733376559 /nfs/dbraw/zinc/37/65/59/733376559.db2.gz MGPWUMNHCIGHIS-VIFPVBQESA-N -1 3 354.237 3.413 20 0 FGADHM Cc1ncc([C@@H](C)[N-]S(=O)(=O)c2ccc(Cl)nc2Cl)s1 ZINC000867620737 733501060 /nfs/dbraw/zinc/50/10/60/733501060.db2.gz SNNGRMCXTWDSIC-ZCFIWIBFSA-N -1 3 352.268 3.193 20 0 FGADHM O=C([N-][C@@H](CCO)c1ccc(Cl)c(F)c1)C(F)(F)C1CCOCC1 ZINC000869702335 733766599 /nfs/dbraw/zinc/76/65/99/733766599.db2.gz MMHNDSWQCDZIAI-AWEZNQCLSA-N -1 3 365.779 3.081 20 0 FGADHM Cc1sccc1NC(=O)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F ZINC000870687536 733876652 /nfs/dbraw/zinc/87/66/52/733876652.db2.gz HPFPUOFXGDAFFA-UHFFFAOYSA-N -1 3 372.418 3.028 20 0 FGADHM CC(C)(C)OC(=O)N1CCC(CC(=O)[N-]OCCCC(F)(F)F)CC1 ZINC000871211554 733923280 /nfs/dbraw/zinc/92/32/80/733923280.db2.gz VILPTGDWBLIBFM-UHFFFAOYSA-N -1 3 368.396 3.414 20 0 FGADHM COCc1nc(Cl)cc(-n2[n-]c(-c3ccccc3)c(C(C)C)c2=O)n1 ZINC000871957272 735569288 /nfs/dbraw/zinc/56/92/88/735569288.db2.gz CDCFVHTZDBEFSO-MRXNPFEDSA-N -1 3 358.829 3.300 20 0 FGADHM C[C@@H](N[C@@H](C)c1cccc(NS(C)(=O)=O)c1)c1cccc([O-])c1F ZINC000872030026 735578923 /nfs/dbraw/zinc/57/89/23/735578923.db2.gz XUVFKDHHEBWNBE-NWDGAFQWSA-N -1 3 352.431 3.315 20 0 FGADHM COc1ccc(N[C@@H]2CCO[C@H](C(C)(C)C)C2)cc1[N-]S(C)(=O)=O ZINC000872059984 735582712 /nfs/dbraw/zinc/58/27/12/735582712.db2.gz MGPKCEFMRKDSDQ-CJNGLKHVSA-N -1 3 356.488 3.072 20 0 FGADHM Cc1conc1CN1C[C@@H](c2ccc(Br)cc2)[C@H](C(=O)[O-])C1 ZINC000872160554 735597999 /nfs/dbraw/zinc/59/79/99/735597999.db2.gz IXKBGZQBSYGUOF-UONOGXRCSA-N -1 3 365.227 3.046 20 0 FGADHM COC[C@@H]([N-]S(=O)(=O)c1ccc(F)c(C(F)F)c1)c1ccc(C)o1 ZINC000872459339 735634132 /nfs/dbraw/zinc/63/41/32/735634132.db2.gz RXKQNOKDRXGLHE-CYBMUJFWSA-N -1 3 363.357 3.331 20 0 FGADHM CC1(C)CCc2onc(C[N-]S(=O)(=O)Cc3ccc(F)cc3F)c2C1 ZINC000872576568 735649012 /nfs/dbraw/zinc/64/90/12/735649012.db2.gz MZCLZBKZPZEXGT-UHFFFAOYSA-N -1 3 370.421 3.087 20 0 FGADHM Cc1nn(-c2cccc(Cl)c2)c(Cl)c1CN[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000874047335 735832544 /nfs/dbraw/zinc/83/25/44/735832544.db2.gz VLBPMSANLRKVBH-KLPPZKSPSA-N -1 3 354.237 3.440 20 0 FGADHM O=c1[n-]c(CN2CCC[C@H]2Cc2ccccc2Cl)nc2c1COCC2 ZINC000877990899 736753995 /nfs/dbraw/zinc/75/39/95/736753995.db2.gz BIWZOQJBJJZCSA-AWEZNQCLSA-N -1 3 359.857 3.115 20 0 FGADHM CN(Cc1nc2c(c(=O)[n-]1)COCC2)Cc1c(Cl)cccc1Cl ZINC000878004824 736755592 /nfs/dbraw/zinc/75/55/92/736755592.db2.gz AYWWVBFGKMDQSY-UHFFFAOYSA-N -1 3 354.237 3.194 20 0 FGADHM O=S(=O)([N-]C1(c2ncccn2)CCC1)c1cccc(Cl)c1Cl ZINC000882684358 737478605 /nfs/dbraw/zinc/47/86/05/737478605.db2.gz LGXRBNYIBAYYHM-UHFFFAOYSA-N -1 3 358.250 3.141 20 0 FGADHM CCC(C)(C)CCS(=O)(=O)[N-]c1ccc(C(=O)N=S(C)(C)=O)cc1 ZINC000882724974 737483254 /nfs/dbraw/zinc/48/32/54/737483254.db2.gz HKZQUHTUTYNKFI-UHFFFAOYSA-N -1 3 374.528 3.122 20 0 FGADHM Cc1cccc([O-])c1C(=O)N1CC[C@H](c2nccc(C(F)(F)F)n2)C1 ZINC000887889258 739441173 /nfs/dbraw/zinc/44/11/73/739441173.db2.gz KNQFLMLADWPNOZ-NSHDSACASA-N -1 3 351.328 3.139 20 0 FGADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N2CC(Cc3ccoc3)C2)s1 ZINC000890576522 739810953 /nfs/dbraw/zinc/81/09/53/739810953.db2.gz KFOOHUZSSBONAR-UHFFFAOYSA-N -1 3 363.439 3.398 20 0 FGADHM C[C@@H](NCc1ncc(Br)cc1[O-])c1ccc2c(c1)OCCO2 ZINC000892480424 740005155 /nfs/dbraw/zinc/00/51/55/740005155.db2.gz BCTTVPHKTRPSOD-SNVBAGLBSA-N -1 3 365.227 3.172 20 0 FGADHM CCOC(=O)c1nc([C@H](C)NCc2ccc(F)c(Cl)c2Cl)n[n-]1 ZINC000895239516 742390916 /nfs/dbraw/zinc/39/09/16/742390916.db2.gz SALGSKOJJMPDQZ-ZETCQYMHSA-N -1 3 361.204 3.278 20 0 FGADHM CCOC(=O)c1nnc([C@H](C)NCc2ccc(F)c(Cl)c2Cl)[n-]1 ZINC000895239516 742390923 /nfs/dbraw/zinc/39/09/23/742390923.db2.gz SALGSKOJJMPDQZ-ZETCQYMHSA-N -1 3 361.204 3.278 20 0 FGADHM [O-]c1cccc(CN2CCC(CO)(C(F)(F)F)CC2)c1Br ZINC000897037862 742634922 /nfs/dbraw/zinc/63/49/22/742634922.db2.gz YCMLXDASLWKQNZ-UHFFFAOYSA-N -1 3 368.193 3.292 20 0 FGADHM O=C(c1ccc(Cl)cc1Br)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000898214878 742759389 /nfs/dbraw/zinc/75/93/89/742759389.db2.gz ASYUDUXKXKCUMQ-QMMMGPOBSA-N -1 3 370.634 3.161 20 0 FGADHM C[C@@H](C(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1)c1ccccc1C(F)(F)F ZINC000898215920 742760007 /nfs/dbraw/zinc/76/00/07/742760007.db2.gz LGRRLYDYOSVVGV-MNOVXSKESA-N -1 3 353.344 3.254 20 0 FGADHM Cc1cc(=O)[n-]c(CNC(=O)C[C@H](C)c2ccccc2C(F)(F)F)n1 ZINC000898262646 742765809 /nfs/dbraw/zinc/76/58/09/742765809.db2.gz JFLMKQQFKZBHDK-JTQLQIEISA-N -1 3 353.344 3.319 20 0 FGADHM O=C(NCCCc1c[n-][nH]c1=O)c1sc2cccc(Cl)c2c1Cl ZINC000898732842 742827656 /nfs/dbraw/zinc/82/76/56/742827656.db2.gz VKULEHSXXLDSLQ-QMMMGPOBSA-N -1 3 370.261 3.450 20 0 FGADHM COc1nccc(CN[C@@H](Cc2cc(Cl)cc(Cl)c2)C(=O)[O-])c1F ZINC000900031789 743046957 /nfs/dbraw/zinc/04/69/57/743046957.db2.gz OQWSYOJQNINDHG-ZDUSSCGKSA-N -1 3 373.211 3.322 20 0 FGADHM O=C([O-])CC1CCN(CC2=Cc3cc(Br)ccc3OC2)CC1 ZINC000901419718 743275110 /nfs/dbraw/zinc/27/51/10/743275110.db2.gz VYCIPXVXIQVIHD-UHFFFAOYSA-N -1 3 366.255 3.412 20 0 FGADHM O=C([O-])c1ccc(CN2CC[C@@H]([C@H]3CCOC3)C2)cc1Br ZINC000901438272 743279787 /nfs/dbraw/zinc/27/97/87/743279787.db2.gz OENARZVRIPADPT-OLZOCXBDSA-N -1 3 354.244 3.006 20 0 FGADHM O=C([O-])c1csc(CN2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c1 ZINC000901442278 743280483 /nfs/dbraw/zinc/28/04/83/743280483.db2.gz PFWQFISQTKYALK-NSHDSACASA-N -1 3 359.373 3.499 20 0 FGADHM Cc1nc2ccc(CN[C@H](C(=O)[O-])c3ccc4c(c3)CCO4)cc2s1 ZINC000901529262 743298752 /nfs/dbraw/zinc/29/87/52/743298752.db2.gz JJWDWISVIHCBKD-SFHVURJKSA-N -1 3 354.431 3.455 20 0 FGADHM C[C@@H]1CN(Cc2nc3cc(C(F)(F)F)ccc3n2C)C[C@@]1(C)C(=O)[O-] ZINC000901542876 743300517 /nfs/dbraw/zinc/30/05/17/743300517.db2.gz QLBHEIYAJDQKTR-QLJPJBMISA-N -1 3 355.360 3.135 20 0 FGADHM CCc1ccc(CN2CCC(n3nnc(C(=O)[O-])c3C(F)F)CC2)s1 ZINC000901544316 743301535 /nfs/dbraw/zinc/30/15/35/743301535.db2.gz OIDQUSUDIYTIND-UHFFFAOYSA-N -1 3 370.425 3.375 20 0 FGADHM CC(=O)Nc1ccc(C)cc1[N-]S(=O)(=O)CC1Cc2ccccc2C1 ZINC000901621529 743605412 /nfs/dbraw/zinc/60/54/12/743605412.db2.gz HTVPZKFXCVGHRI-UHFFFAOYSA-N -1 3 358.463 3.110 20 0 FGADHM O=C([O-])C1(CNCc2nc3cc(Br)ccc3o2)CCCC1 ZINC000901679637 743617148 /nfs/dbraw/zinc/61/71/48/743617148.db2.gz YNYJFAMJUQORLB-UHFFFAOYSA-N -1 3 353.216 3.325 20 0 FGADHM C[C@H](CSCCF)N[C@H](C(=O)[O-])c1ccccc1Br ZINC000901748414 743631575 /nfs/dbraw/zinc/63/15/75/743631575.db2.gz MMYIPBJFGIBFRX-SKDRFNHKSA-N -1 3 350.253 3.256 20 0 FGADHM O=C([O-])[C@H](CC1CCOCC1)NCc1csc(-c2ccc(F)cc2)n1 ZINC000901775794 743637898 /nfs/dbraw/zinc/63/78/98/743637898.db2.gz XBIBOAGOGYEPHZ-INIZCTEOSA-N -1 3 364.442 3.309 20 0 FGADHM CC(C)[C@](C)(CC(=O)[O-])NCc1cn(-c2ccc(F)cc2Cl)nn1 ZINC000901816151 743645775 /nfs/dbraw/zinc/64/57/75/743645775.db2.gz FMAOEXDNBDYXHG-INIZCTEOSA-N -1 3 354.813 3.039 20 0 FGADHM O=C([O-])[C@@]1(c2ccccc2)CCN(Cc2ccc(Br)o2)C1 ZINC000901830833 743651723 /nfs/dbraw/zinc/65/17/23/743651723.db2.gz VEYDZCJNCYVEOX-INIZCTEOSA-N -1 3 350.212 3.270 20 0 FGADHM O=C([O-])[C@@H](NCc1csc(-c2ccc(Cl)cc2)n1)[C@@H]1CCCOC1 ZINC000901832911 743652380 /nfs/dbraw/zinc/65/23/80/743652380.db2.gz PUMMTVBXUSACCH-DOMZBBRYSA-N -1 3 366.870 3.433 20 0 FGADHM O=C([O-])[C@@H]1CSCCN(Cc2cnc(CCc3ccccc3)s2)C1 ZINC000901888406 743667763 /nfs/dbraw/zinc/66/77/63/743667763.db2.gz AINGWPRBLWTVFQ-HNNXBMFYSA-N -1 3 362.520 3.178 20 0 FGADHM O=C([O-])[C@@]1(O)CCN(Cc2ccccc2Oc2ccc(F)cc2Cl)C1 ZINC000901904886 743672515 /nfs/dbraw/zinc/67/25/15/743672515.db2.gz TVNBSLOZJRAMNZ-GOSISDBHSA-N -1 3 365.788 3.293 20 0 FGADHM CCN(CC)[C@H](CNC(=O)/C=C\c1ccc(C(=O)[O-])o1)c1ccsc1 ZINC000901964187 743687856 /nfs/dbraw/zinc/68/78/56/743687856.db2.gz YGRYCFHLPWBRFL-DDJMYBDESA-N -1 3 362.451 3.252 20 0 FGADHM CS(C)(=O)=Nc1cccc(NCc2nc(C(F)(F)F)cc(=O)[n-]2)c1 ZINC000902148487 743715059 /nfs/dbraw/zinc/71/50/59/743715059.db2.gz FVTGQQIMWSZULI-UHFFFAOYSA-N -1 3 360.361 3.172 20 0 FGADHM O=C([O-])c1coc(CN[C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)c1 ZINC000902255011 743726366 /nfs/dbraw/zinc/72/63/66/743726366.db2.gz KAXVSFZAKIPPTR-ZDUSSCGKSA-N -1 3 354.328 3.365 20 0 FGADHM Cc1cc(CN[C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)oc1C(=O)[O-] ZINC000902494280 743749932 /nfs/dbraw/zinc/74/99/32/743749932.db2.gz HBOHDGRDOVKRGJ-RRFJBIMHSA-N -1 3 362.223 3.477 20 0 FGADHM Cn1cc(S(=O)(=O)[N-]c2cnc(Cl)cc2Cl)c(C(C)(C)C)n1 ZINC000903129667 743810294 /nfs/dbraw/zinc/81/02/94/743810294.db2.gz GGRSNRHQQUXKNH-UHFFFAOYSA-N -1 3 363.270 3.220 20 0 FGADHM O=C([O-])CCN(Cc1ccc(F)c(F)c1)C[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000903600863 743860421 /nfs/dbraw/zinc/86/04/21/743860421.db2.gz HQYLTKPDQRCXEH-RISCZKNCSA-N -1 3 367.314 3.351 20 0 FGADHM O=C([O-])c1ccc2[nH]cc(C3CCN(CCOCC(F)F)CC3)c2c1 ZINC000903635443 743865945 /nfs/dbraw/zinc/86/59/45/743865945.db2.gz HZQWRHAKKZKHOD-UHFFFAOYSA-N -1 3 352.381 3.327 20 0 FGADHM Cc1cc(CNC(=O)OC(C)(C)C)cc([N-]S(=O)(=O)CC2(F)CC2)c1 ZINC000903641464 743866578 /nfs/dbraw/zinc/86/65/78/743866578.db2.gz OFYMZQBOOPRINN-UHFFFAOYSA-N -1 3 372.462 3.264 20 0 FGADHM O=C([O-])c1ccc(CN2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)s1 ZINC000903682872 743873165 /nfs/dbraw/zinc/87/31/65/743873165.db2.gz CHXVHCPDJODEPZ-JTQLQIEISA-N -1 3 359.373 3.499 20 0 FGADHM O=C([O-])c1cnc([C@@H]2CCN(CCOc3cccc(Cl)c3)C2)s1 ZINC000903928552 743899761 /nfs/dbraw/zinc/89/97/61/743899761.db2.gz UCVLQNIYHIOQSG-LLVKDONJSA-N -1 3 352.843 3.363 20 0 FGADHM Cc1ccccc1C[C@@H](CNCc1c(Cl)nc(Cl)n1C)C(=O)[O-] ZINC000903994136 743910053 /nfs/dbraw/zinc/91/00/53/743910053.db2.gz PJUTWXXBKDAHHE-LBPRGKRZSA-N -1 3 356.253 3.068 20 0 FGADHM CCOCC[C@H](NCc1cccc(Cl)c1Br)C(=O)[O-] ZINC000904067357 743923806 /nfs/dbraw/zinc/92/38/06/743923806.db2.gz AHNGZVAMRMBYJN-NSHDSACASA-N -1 3 350.640 3.072 20 0 FGADHM COC(=O)c1ccc(-c2nc(-c3sccc3Br)no2)[n-]1 ZINC000904894881 743983128 /nfs/dbraw/zinc/98/31/28/743983128.db2.gz FOULDJZWILKIFN-UHFFFAOYSA-N -1 3 354.185 3.342 20 0 FGADHM 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O=C(N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1)c1c[nH]c(C(F)(F)F)c1 ZINC000568493444 505708637 /nfs/dbraw/zinc/70/86/37/505708637.db2.gz XBVJVUYVBADINY-UHFFFAOYSA-N -1 3 356.254 3.376 20 0 FGADHM O=C(NCCc1cccc2ccccc21)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000065790407 494238582 /nfs/dbraw/zinc/23/85/82/494238582.db2.gz RPEFCZFVDHJJKL-UHFFFAOYSA-N -1 3 359.385 3.088 20 0 FGADHM CCN(C)S(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(Cl)cc1 ZINC000072758136 494245553 /nfs/dbraw/zinc/24/55/53/494245553.db2.gz NXKQLAFZPYBITL-UHFFFAOYSA-N -1 3 367.858 3.201 20 0 FGADHM Cc1cc(C)c(NC(=O)CC[N-]S(=O)(=O)c2ccccc2F)c(C)c1 ZINC000078225573 494256286 /nfs/dbraw/zinc/25/62/86/494256286.db2.gz UNXAWWIRZULYQP-UHFFFAOYSA-N -1 3 364.442 3.058 20 0 FGADHM COC(=O)c1sc(NC(=O)c2c[n-]nc2-c2ccc(F)cc2)nc1C ZINC000078468330 494301295 /nfs/dbraw/zinc/30/12/95/494301295.db2.gz XORIBWNRQABLRG-UHFFFAOYSA-N -1 3 360.370 3.020 20 0 FGADHM CC[C@@](C)([N-]S(=O)(=O)c1cn2c(n1)CCC[C@H]2C)c1nc(C)cs1 ZINC000574178289 505713219 /nfs/dbraw/zinc/71/32/19/505713219.db2.gz KIQQUVHVZGOITJ-MLGOLLRUSA-N -1 3 368.528 3.149 20 0 FGADHM Cc1sc([N-]C(=O)c2nc3nccc(C)n3n2)nc1-c1ccccc1 ZINC000014658733 494321551 /nfs/dbraw/zinc/32/15/51/494321551.db2.gz LYNKYXBDRHMGJP-UHFFFAOYSA-N -1 3 350.407 3.117 20 0 FGADHM CC(C)[C@@H](NC(=O)c1ccc([N-]S(C)(=O)=O)cc1)c1ccc(F)cc1 ZINC000055385823 494335823 /nfs/dbraw/zinc/33/58/23/494335823.db2.gz AAKSBSDMEPNFHU-QGZVFWFLSA-N -1 3 364.442 3.324 20 0 FGADHM O=C(N[C@@H]1CCOc2c(Cl)cccc21)c1c[n-]c2ccccc2c1=O ZINC000055458940 494347471 /nfs/dbraw/zinc/34/74/71/494347471.db2.gz DWBIZDBMQJNHIO-MRXNPFEDSA-N -1 3 354.793 3.435 20 0 FGADHM COc1ccc(C(=O)N(C)Cc2cc(Br)cs2)c([O-])c1 ZINC000044318231 494349977 /nfs/dbraw/zinc/34/99/77/494349977.db2.gz BMWVRPOTTHADIZ-UHFFFAOYSA-N -1 3 356.241 3.497 20 0 FGADHM CC(C)N(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000078732032 494350890 /nfs/dbraw/zinc/35/08/90/494350890.db2.gz BCGAUQVKRCEORM-UHFFFAOYSA-N -1 3 350.415 3.107 20 0 FGADHM CN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)c1 ZINC000055548980 494358769 /nfs/dbraw/zinc/35/87/69/494358769.db2.gz YDMWYZVKGMLISY-UHFFFAOYSA-N -1 3 373.261 3.496 20 0 FGADHM COC(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2C(C)C)cc1 ZINC000055554759 494359466 /nfs/dbraw/zinc/35/94/66/494359466.db2.gz FGHTZGMLQRHIPX-UHFFFAOYSA-N -1 3 363.435 3.163 20 0 FGADHM O=C(Cc1nc(=O)c2cc(-c3ccccc3)sc2[n-]1)NC1CCCC1 ZINC000066606155 494364886 /nfs/dbraw/zinc/36/48/86/494364886.db2.gz KRCFZOLBNKCGBS-UHFFFAOYSA-N -1 3 353.447 3.253 20 0 FGADHM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cc2c(cc1Cl)OCCO2 ZINC000055576905 494364911 /nfs/dbraw/zinc/36/49/11/494364911.db2.gz PLKTZOLUNPMZKC-UHFFFAOYSA-N -1 3 357.790 3.360 20 0 FGADHM COCCOc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2C)cc1 ZINC000055588890 494368001 /nfs/dbraw/zinc/36/80/01/494368001.db2.gz AHPPKVICNXLSLX-UHFFFAOYSA-N -1 3 355.843 3.474 20 0 FGADHM Cc1nc(C)c(CCC(=O)N2CCC(CCc3ccccc3)CC2)c(=O)[n-]1 ZINC000073411264 494368195 /nfs/dbraw/zinc/36/81/95/494368195.db2.gz AIQNCYVKBGIYFI-UHFFFAOYSA-N -1 3 367.493 3.191 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)c(F)c2)c(C)c1 ZINC000055644854 494380733 /nfs/dbraw/zinc/38/07/33/494380733.db2.gz IKLHQCPBEWXLFQ-UHFFFAOYSA-N -1 3 361.398 3.129 20 0 FGADHM COc1cccc(C(=O)N[C@H](c2ccccn2)c2ccccc2OC)c1[O-] ZINC000089848255 494380887 /nfs/dbraw/zinc/38/08/87/494380887.db2.gz ZNADNIBOGFCJFO-IBGZPJMESA-N -1 3 364.401 3.324 20 0 FGADHM COc1cccc2c(C(=O)Nc3ccc(OC[C@@H]4CCCO4)cc3)[n-]nc21 ZINC000574198931 505718314 /nfs/dbraw/zinc/71/83/14/505718314.db2.gz IWMNIPYIBGVGGC-HNNXBMFYSA-N -1 3 367.405 3.382 20 0 FGADHM COc1cccc2c(C(=O)Nc3ccc(OC[C@@H]4CCCO4)cc3)n[n-]c21 ZINC000574198931 505718317 /nfs/dbraw/zinc/71/83/17/505718317.db2.gz IWMNIPYIBGVGGC-HNNXBMFYSA-N -1 3 367.405 3.382 20 0 FGADHM O=C(NCC1(c2ccc(Cl)cc2)CCOCC1)c1ccc2n[n-]nc2c1 ZINC000055761918 494403829 /nfs/dbraw/zinc/40/38/29/494403829.db2.gz DOWLUTSVIBWTTC-UHFFFAOYSA-N -1 3 370.840 3.090 20 0 FGADHM CC(C)c1cc(N2CCN(C(=O)c3ccc([O-])cc3)CC2)nc(C(C)C)n1 ZINC000090070425 494436593 /nfs/dbraw/zinc/43/65/93/494436593.db2.gz ZQCMXJLRNSEEDS-UHFFFAOYSA-N -1 3 368.481 3.391 20 0 FGADHM Cc1ccc(F)c(S(=O)(=O)[N-][C@@H](C)c2ccc3c(c2)CCC(=O)N3)c1 ZINC000056086614 494452672 /nfs/dbraw/zinc/45/26/72/494452672.db2.gz ISYWBGKUYKDZKR-LBPRGKRZSA-N -1 3 362.426 3.058 20 0 FGADHM CCCC(=O)N1CCC[C@@H](C(=O)Nc2ccc(Br)cc2[O-])C1 ZINC000079486566 494463675 /nfs/dbraw/zinc/46/36/75/494463675.db2.gz WGJPYTUDPFFZLQ-LLVKDONJSA-N -1 3 369.259 3.132 20 0 FGADHM CCCC(=O)N1CCC[C@H](C(=O)Nc2ccc(Br)cc2[O-])C1 ZINC000079486562 494463706 /nfs/dbraw/zinc/46/37/06/494463706.db2.gz WGJPYTUDPFFZLQ-NSHDSACASA-N -1 3 369.259 3.132 20 0 FGADHM CC(C)c1ccc(NC(=O)CC[N-]S(=O)(=O)c2cccs2)cc1 ZINC000020114083 494467459 /nfs/dbraw/zinc/46/74/59/494467459.db2.gz ABXXGEGPQLPOGE-UHFFFAOYSA-N -1 3 352.481 3.179 20 0 FGADHM CC(C)N(CCN1CCCCCC1)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000568547451 505719861 /nfs/dbraw/zinc/71/98/61/505719861.db2.gz QTCFKQFHZIMRJM-UHFFFAOYSA-N -1 3 355.482 3.255 20 0 FGADHM C[C@@]1(Cc2ccc(F)cc2)CCCN1C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000574219579 505722923 /nfs/dbraw/zinc/72/29/23/505722923.db2.gz PETLHZPOGJLLNS-FQEVSTJZSA-N -1 3 355.413 3.436 20 0 FGADHM O=C(N[C@@H]1CCOc2c(Cl)cccc21)c1cc(=O)c2ccccc2[n-]1 ZINC000056251690 494477234 /nfs/dbraw/zinc/47/72/34/494477234.db2.gz SJNVFCYKIQFBFO-OAHLLOKOSA-N -1 3 354.793 3.435 20 0 FGADHM CC(C)[C@@H](C(=O)Nc1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1)c1ccccc1 ZINC000079566636 494483533 /nfs/dbraw/zinc/48/35/33/494483533.db2.gz YUEHKGDLRMJLDD-UTKZUKDTSA-N -1 3 365.433 3.120 20 0 FGADHM Cc1ccc(-c2cc(C(=O)Nc3ccccc3[N-]S(C)(=O)=O)on2)cc1 ZINC000056409488 494501459 /nfs/dbraw/zinc/50/14/59/494501459.db2.gz KKIMBZGIHSLPIE-UHFFFAOYSA-N -1 3 371.418 3.274 20 0 FGADHM O=C(Cc1ccc([O-])cc1Cl)N1CCCN(c2ccccc2F)CC1 ZINC000577428132 505724681 /nfs/dbraw/zinc/72/46/81/505724681.db2.gz YXJMUISFWSIKKI-UHFFFAOYSA-N -1 3 362.832 3.466 20 0 FGADHM COc1ccc(C(=O)N2CC[C@H](OCCCc3ccccc3)C2)c([O-])c1 ZINC000079716898 494513463 /nfs/dbraw/zinc/51/34/63/494513463.db2.gz QSUOPVKJSUOQPJ-SFHVURJKSA-N -1 3 355.434 3.265 20 0 FGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1cccc(C(F)(F)F)c1F ZINC000079771462 494523717 /nfs/dbraw/zinc/52/37/17/494523717.db2.gz YNLVMVCFWGOOAJ-UHFFFAOYSA-N -1 3 351.263 3.277 20 0 FGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1cccc(C(F)(F)F)c1F ZINC000079771462 494523719 /nfs/dbraw/zinc/52/37/19/494523719.db2.gz YNLVMVCFWGOOAJ-UHFFFAOYSA-N -1 3 351.263 3.277 20 0 FGADHM C[C@@H](CCOCc1ccccc1)[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000580296969 505726385 /nfs/dbraw/zinc/72/63/85/505726385.db2.gz WAIUPPUWLRHIPI-LBPRGKRZSA-N -1 3 373.396 3.378 20 0 FGADHM O=C(c1ccccc1[O-])N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000046645938 494547695 /nfs/dbraw/zinc/54/76/95/494547695.db2.gz GIWVOQMMWBZYDJ-UHFFFAOYSA-N -1 3 352.221 3.056 20 0 FGADHM O=S(=O)([N-][C@H](c1ccc2c(c1)OCCO2)C1CC1)c1ccccc1F ZINC000079911338 494548605 /nfs/dbraw/zinc/54/86/05/494548605.db2.gz JCOXOOVISZABHH-SFHVURJKSA-N -1 3 363.410 3.027 20 0 FGADHM Cc1noc([N-]C(=O)c2cc(OCC(F)(F)F)c3ccccc3n2)n1 ZINC000091171229 494548702 /nfs/dbraw/zinc/54/87/02/494548702.db2.gz DKDLMKSHAHGBMF-UHFFFAOYSA-N -1 3 352.272 3.120 20 0 FGADHM COCCCOc1cccc(NC(=O)c2c[n-]c3ccccc3c2=O)c1 ZINC000079952223 494556228 /nfs/dbraw/zinc/55/62/28/494556228.db2.gz PVPDMBVKZRGYQW-UHFFFAOYSA-N -1 3 352.390 3.196 20 0 FGADHM COCCCOc1cccc(NC(=O)c2cnc3ccccc3c2[O-])c1 ZINC000079952223 494556233 /nfs/dbraw/zinc/55/62/33/494556233.db2.gz PVPDMBVKZRGYQW-UHFFFAOYSA-N -1 3 352.390 3.196 20 0 FGADHM Cc1cccc(C(=O)N2CCC(NC(=O)Nc3ccc(F)cc3)CC2)c1[O-] ZINC000080040147 494574760 /nfs/dbraw/zinc/57/47/60/494574760.db2.gz MPPUCZAHOLCBBN-UHFFFAOYSA-N -1 3 371.412 3.266 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]CCc2nc3ccccc3s2)c(F)c1 ZINC000074823579 494609672 /nfs/dbraw/zinc/60/96/72/494609672.db2.gz VMLFJAUIJXDAIA-UHFFFAOYSA-N -1 3 350.440 3.265 20 0 FGADHM O=S(=O)([N-][C@H]1CCOc2c(Cl)cccc21)c1ccc(F)cc1F ZINC000057010435 494616122 /nfs/dbraw/zinc/61/61/22/494616122.db2.gz HNXKWIZKVLFTOQ-ZDUSSCGKSA-N -1 3 359.781 3.420 20 0 FGADHM CC[C@H](C)c1ccccc1OCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000121147092 494616514 /nfs/dbraw/zinc/61/65/14/494616514.db2.gz FMNMMAJIQGWJNO-ZDUSSCGKSA-N -1 3 351.410 3.398 20 0 FGADHM CC[C@H](C)c1ccccc1OCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000121147092 494616526 /nfs/dbraw/zinc/61/65/26/494616526.db2.gz FMNMMAJIQGWJNO-ZDUSSCGKSA-N -1 3 351.410 3.398 20 0 FGADHM O=C([N-]c1nnc(-c2ccccn2)s1)c1ccn(-c2cccc(F)c2)n1 ZINC000067751847 494632257 /nfs/dbraw/zinc/63/22/57/494632257.db2.gz PCLFAEATNIZVIH-UHFFFAOYSA-N -1 3 366.381 3.177 20 0 FGADHM C[C@H]1C[C@@H]1CNC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000047098053 494634389 /nfs/dbraw/zinc/63/43/89/494634389.db2.gz RUVOGGRBAFMULM-WCQYABFASA-N -1 3 365.861 3.062 20 0 FGADHM CN(C)C(=O)c1cc(NC(=O)c2c[n-]nc2-c2ccc(Cl)cc2)ccn1 ZINC000126102281 494636806 /nfs/dbraw/zinc/63/68/06/494636806.db2.gz KFSONOSPANTAEE-UHFFFAOYSA-N -1 3 369.812 3.079 20 0 FGADHM Cc1nc(C2([N-]S(=O)(=O)c3ccc(F)cc3)CCCCCC2)no1 ZINC000024689161 494653988 /nfs/dbraw/zinc/65/39/88/494653988.db2.gz BNJQQPGKYLZFIN-UHFFFAOYSA-N -1 3 353.419 3.045 20 0 FGADHM O=S(=O)([N-]CCN1CCCCCC1)c1c(Cl)cccc1Cl ZINC000024682719 494654391 /nfs/dbraw/zinc/65/43/91/494654391.db2.gz NAWQAUYTXQBRMC-UHFFFAOYSA-N -1 3 351.299 3.148 20 0 FGADHM CCOC(=O)c1ccc(C[N-]S(=O)(=O)c2ccc3ccccc3c2)o1 ZINC000080276693 494662606 /nfs/dbraw/zinc/66/26/06/494662606.db2.gz RGCQTPUQKXJZGL-UHFFFAOYSA-N -1 3 359.403 3.088 20 0 FGADHM C[C@]1(c2ccc(NC(=O)c3cccc4ccccc43)cc2)NC(=O)[N-]C1=O ZINC000047255844 494663758 /nfs/dbraw/zinc/66/37/58/494663758.db2.gz PUBDYRRPDGPIFQ-OAQYLSRUSA-N -1 3 359.385 3.147 20 0 FGADHM CCC(CC)C(=O)N1CCC(NC(=O)Cc2ccc([O-])cc2Cl)CC1 ZINC000121258105 494669462 /nfs/dbraw/zinc/66/94/62/494669462.db2.gz IZIKRYOXCUHGEG-UHFFFAOYSA-N -1 3 366.889 3.132 20 0 FGADHM Cc1ccc(OCCC(=O)Nc2ccccc2[N-]S(C)(=O)=O)cc1C ZINC000024896810 494676653 /nfs/dbraw/zinc/67/66/53/494676653.db2.gz UEUQZXONVYDAJE-UHFFFAOYSA-N -1 3 362.451 3.083 20 0 FGADHM CCC[C@@H](C(=O)Nc1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1)c1ccccc1 ZINC000047299043 494676616 /nfs/dbraw/zinc/67/66/16/494676616.db2.gz JAGDWSMIZLFALO-DYESRHJHSA-N -1 3 365.433 3.264 20 0 FGADHM COCc1cc(C[N-]S(=O)(=O)c2c(F)cccc2Cl)ccc1F ZINC000131647403 494686567 /nfs/dbraw/zinc/68/65/67/494686567.db2.gz OPSPMUCBKRPSSR-UHFFFAOYSA-N -1 3 361.797 3.243 20 0 FGADHM O=S(=O)([N-][C@H]1CCC[C@H](F)C1)c1ccc(F)cc1Br ZINC000574273933 505735810 /nfs/dbraw/zinc/73/58/10/505735810.db2.gz ZWSGWAOEQNIPGK-WPRPVWTQSA-N -1 3 354.216 3.147 20 0 FGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000116170114 494721448 /nfs/dbraw/zinc/72/14/48/494721448.db2.gz NSAXARFPBPSYJQ-QWRGUYRKSA-N -1 3 366.389 3.079 20 0 FGADHM COc1cc(F)c([N-]S(=O)(=O)c2ccc(C)c(NC(C)=O)c2)cc1F ZINC000126444684 494753413 /nfs/dbraw/zinc/75/34/13/494753413.db2.gz IIDHJAUCKKLXQX-UHFFFAOYSA-N -1 3 370.377 3.041 20 0 FGADHM C[C@H]1CCN(C(=O)c2ccc([N-]S(C)(=O)=O)cc2)[C@H](c2ccco2)C1 ZINC000075390625 494754633 /nfs/dbraw/zinc/75/46/33/494754633.db2.gz XCYOSAOLVBUBRG-BBRMVZONSA-N -1 3 362.451 3.265 20 0 FGADHM C[C@@]1(c2cccc(-c3nc(C4CCCCCC4)no3)c2)NC(=O)[N-]C1=O ZINC000577493201 505740211 /nfs/dbraw/zinc/74/02/11/505740211.db2.gz XIDHUFGDZAMCDJ-IBGZPJMESA-N -1 3 354.410 3.229 20 0 FGADHM COC(=O)c1ccc(C(=O)[N-]c2nnc(-c3cccc(Cl)c3)s2)nc1 ZINC000068131505 494770767 /nfs/dbraw/zinc/77/07/67/494770767.db2.gz CQNLLEPEMJIBPY-UHFFFAOYSA-N -1 3 374.809 3.292 20 0 FGADHM Cc1nn(C)c2ncc(S(=O)(=O)[N-]c3ccc(C)cc3Cl)cc12 ZINC000116408153 494775018 /nfs/dbraw/zinc/77/50/18/494775018.db2.gz GBDIGQGWRFPESR-UHFFFAOYSA-N -1 3 350.831 3.039 20 0 FGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@@H](C)C3CCOCC3)s2)cs1 ZINC000121650296 494830401 /nfs/dbraw/zinc/83/04/01/494830401.db2.gz ZTSQZOCPTAPDBJ-JTQLQIEISA-N -1 3 372.537 3.273 20 0 FGADHM O=S(=O)([N-]C1CCCCC1)c1cnc(Cl)c(Br)c1 ZINC000026531615 494830821 /nfs/dbraw/zinc/83/08/21/494830821.db2.gz OFEKBDOEBVYRNQ-UHFFFAOYSA-N -1 3 353.669 3.109 20 0 FGADHM O=S(=O)([N-]c1ccc2c(c1)CCO2)c1ccc(Br)cc1 ZINC000026543463 494831403 /nfs/dbraw/zinc/83/14/03/494831403.db2.gz XIHPSNNRSDNATC-UHFFFAOYSA-N -1 3 354.225 3.185 20 0 FGADHM O=S(=O)([N-]C[C@H]1Cc2ccccc2O1)c1c(Cl)cccc1Cl ZINC000026865587 494842560 /nfs/dbraw/zinc/84/25/60/494842560.db2.gz HMOQJJBAPLPFLR-LLVKDONJSA-N -1 3 358.246 3.275 20 0 FGADHM CN(C)[C@H](CNC(=O)Cc1ccc([O-])c(F)c1)c1ccc(Cl)cc1 ZINC000571493143 505746114 /nfs/dbraw/zinc/74/61/14/505746114.db2.gz OCVYUYFGHHCPER-MRXNPFEDSA-N -1 3 350.821 3.146 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC(OC4CCCC4)CC3)nc2)n1 ZINC000109318824 494858580 /nfs/dbraw/zinc/85/85/80/494858580.db2.gz LYVCHHRAONTXTE-UHFFFAOYSA-N -1 3 368.481 3.322 20 0 FGADHM CCC(CC)c1cc(C[N-]S(=O)(=O)c2ccc(C)c(N(C)C)c2)on1 ZINC000121812218 494865784 /nfs/dbraw/zinc/86/57/84/494865784.db2.gz RMKAWUPJGHGTBR-UHFFFAOYSA-N -1 3 365.499 3.431 20 0 FGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)CCOc1c(C)cccc1C ZINC000093313688 494866397 /nfs/dbraw/zinc/86/63/97/494866397.db2.gz 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359.499 3.384 20 0 FGADHM O=C(CSc1n[n-]c(-c2ccccn2)n1)Nc1ccc(F)c(Cl)c1 ZINC000117114233 494892254 /nfs/dbraw/zinc/89/22/54/494892254.db2.gz KWEWVOZSKIHUST-UHFFFAOYSA-N -1 3 363.805 3.390 20 0 FGADHM C[C@@H](NC(=O)CSc1n[n-]c(-c2ccccn2)n1)c1ccccc1Cl ZINC000117112528 494892435 /nfs/dbraw/zinc/89/24/35/494892435.db2.gz ZJAXDZLRPSFJQP-LLVKDONJSA-N -1 3 373.869 3.490 20 0 FGADHM Cc1ccccc1CN(C)C(=O)[C@H](C)Sc1n[n-]c(-c2ccccn2)n1 ZINC000117114072 494892470 /nfs/dbraw/zinc/89/24/70/494892470.db2.gz YCMYVNYRNHJPLY-AWEZNQCLSA-N -1 3 367.478 3.314 20 0 FGADHM CCC(=O)c1cccc(S(=O)(=O)[N-]c2cc(NC(C)=O)ccc2F)c1 ZINC000132562788 494893317 /nfs/dbraw/zinc/89/33/17/494893317.db2.gz MMPPFICYELQHDJ-UHFFFAOYSA-N -1 3 364.398 3.178 20 0 FGADHM C[C@@H](Sc1n[n-]c(-c2ccccn2)n1)C(=O)N(C)Cc1ccccc1 ZINC000117114905 494893420 /nfs/dbraw/zinc/89/34/20/494893420.db2.gz LAPQLRGPLLZXRZ-CYBMUJFWSA-N -1 3 353.451 3.006 20 0 FGADHM C[C@H](Sc1n[n-]c(-c2ccccn2)n1)C(=O)Nc1ccc(F)cc1F ZINC000117115222 494893522 /nfs/dbraw/zinc/89/35/22/494893522.db2.gz BFGJNODYEFQRIA-VIFPVBQESA-N -1 3 361.377 3.264 20 0 FGADHM COc1cccc([C@@H]2C[C@H]2C(=O)Nc2n[n-]c(-c3ccccc3F)n2)c1 ZINC000109626320 494898244 /nfs/dbraw/zinc/89/82/44/494898244.db2.gz AQLGSZQIZBOULM-LSDHHAIUSA-N -1 3 352.369 3.362 20 0 FGADHM COc1ccc(CN[C@@H](CSCCc2ccccc2)C(=O)[O-])c(F)c1 ZINC000574329866 505748784 /nfs/dbraw/zinc/74/87/84/505748784.db2.gz OLJIGRWAZQTHNN-SFHVURJKSA-N -1 3 363.454 3.353 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)C3CC3)cc2)c(C)c1C ZINC000117227685 494901961 /nfs/dbraw/zinc/90/19/61/494901961.db2.gz PQLIDVFHOCCJKV-UHFFFAOYSA-N -1 3 374.462 3.461 20 0 FGADHM O=C(Cc1ccc([O-])cc1Cl)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000132785484 494924137 /nfs/dbraw/zinc/92/41/37/494924137.db2.gz SJFYHCOSJNVFEP-INIZCTEOSA-N -1 3 374.872 3.270 20 0 FGADHM COc1cc(C)cc(C(=O)Nc2ccccc2OCCn2ccnc2)c1[O-] ZINC000094038195 494943191 /nfs/dbraw/zinc/94/31/91/494943191.db2.gz BIIHDVWWIKPKFK-UHFFFAOYSA-N -1 3 367.405 3.237 20 0 FGADHM O=C([N-]c1nncn1Cc1ccccc1)c1cnc(-c2ccccn2)s1 ZINC000117735141 494950751 /nfs/dbraw/zinc/95/07/51/494950751.db2.gz SRWCXXWROXFQBP-UHFFFAOYSA-N -1 3 362.418 3.097 20 0 FGADHM O=S(=O)([N-]c1ccc(-n2ccnc2)c(F)c1)c1ccc(Cl)cc1 ZINC000110122271 494950929 /nfs/dbraw/zinc/95/09/29/494950929.db2.gz ZYFQVVBUEDEUFV-UHFFFAOYSA-N -1 3 351.790 3.466 20 0 FGADHM COc1cc(C)cc(C(=O)Nc2cc(C(C)C)nn2-c2ncccn2)c1[O-] ZINC000094132341 494953354 /nfs/dbraw/zinc/95/33/54/494953354.db2.gz MUOZQNVZBACLPS-UHFFFAOYSA-N -1 3 367.409 3.061 20 0 FGADHM O=C(CSc1ccccc1C(=O)Nc1ccccc1[O-])N1CCCC1 ZINC000127513603 494955684 /nfs/dbraw/zinc/95/56/84/494955684.db2.gz DVIJQJPVEVBTOD-UHFFFAOYSA-N -1 3 356.447 3.359 20 0 FGADHM Cc1cc(C(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)c(C)s1 ZINC000133062688 494963124 /nfs/dbraw/zinc/96/31/24/494963124.db2.gz YTKBEDAEUADHLW-UHFFFAOYSA-N -1 3 368.455 3.197 20 0 FGADHM COC(=O)CCN(Cc1ccc(F)c(F)c1)C(=O)c1cccc(C)c1[O-] ZINC000110346933 494971787 /nfs/dbraw/zinc/97/17/87/494971787.db2.gz DYCQOJPYAMMBMT-UHFFFAOYSA-N -1 3 363.360 3.184 20 0 FGADHM CCc1ccc([C@@H](CO)[N-]S(=O)(=O)c2c(F)cccc2Cl)cc1 ZINC000133166564 494979093 /nfs/dbraw/zinc/97/90/93/494979093.db2.gz NVZRRTQGJNJVSW-OAHLLOKOSA-N -1 3 357.834 3.053 20 0 FGADHM CS(=O)(=O)[N-]c1cc(C(=O)Nc2cccc3ccc(O)cc32)ccc1F ZINC000127736743 494989817 /nfs/dbraw/zinc/98/98/17/494989817.db2.gz PTADQDQMFAEKNO-UHFFFAOYSA-N -1 3 374.393 3.308 20 0 FGADHM O=c1cc(CSc2nnc(-c3ccc(OC(F)F)cc3)o2)occ1[O-] ZINC000127795520 494999685 /nfs/dbraw/zinc/99/96/85/494999685.db2.gz GSZLCHSGPQWDAZ-UHFFFAOYSA-N -1 3 368.317 3.289 20 0 FGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)[C@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000110785905 495009686 /nfs/dbraw/zinc/00/96/86/495009686.db2.gz HULDKRUHWVSZSA-UXHICEINSA-N -1 3 369.428 3.440 20 0 FGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)[C@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000110785905 495009690 /nfs/dbraw/zinc/00/96/90/495009690.db2.gz HULDKRUHWVSZSA-UXHICEINSA-N -1 3 369.428 3.440 20 0 FGADHM Cc1cc([N-]C(=O)[C@@H](C)Nc2ccc(OCC3CCOCC3)cc2)on1 ZINC000122708058 495019717 /nfs/dbraw/zinc/01/97/17/495019717.db2.gz YPTXTLWSJWTYGJ-CQSZACIVSA-N -1 3 359.426 3.228 20 0 FGADHM CNC(=O)c1ccc(S(=O)(=O)[N-]c2cc(Cl)c(C)cc2Cl)cc1 ZINC000133553543 495027821 /nfs/dbraw/zinc/02/78/21/495027821.db2.gz ZVLKMYKHYZSNSB-UHFFFAOYSA-N -1 3 373.261 3.462 20 0 FGADHM CCC1(CO)CCN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)CC1 ZINC000128201227 495060743 /nfs/dbraw/zinc/06/07/43/495060743.db2.gz ZMTCSEWVHAKCBX-UHFFFAOYSA-N -1 3 373.478 3.229 20 0 FGADHM COc1cc(C)c([C@H](C)[N-]S(=O)(=O)c2cccc(F)c2F)cc1OC ZINC000101571920 495080749 /nfs/dbraw/zinc/08/07/49/495080749.db2.gz WYULFFJVLUKGMS-NSHDSACASA-N -1 3 371.405 3.330 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H]2C[C@H](O)c2cccs2)c1 ZINC000123112587 495082484 /nfs/dbraw/zinc/08/24/84/495082484.db2.gz DLXZFHMCHFHEEK-YOEHRIQHSA-N -1 3 374.462 3.140 20 0 FGADHM Cc1nc(C)c(CCC(=O)N2C[C@H]3CCCC[C@]32c2ccccc2)c(=O)[n-]1 ZINC000119074694 495086019 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/nfs/dbraw/zinc/50/73/89/495507389.db2.gz CZTYTGTUDJWWLK-CYBMUJFWSA-N -1 3 367.442 3.061 20 0 FGADHM CCS[C@@H](C)c1noc(CN(C)C(=O)NCc2ccc([O-])c(F)c2)n1 ZINC000141723037 495509941 /nfs/dbraw/zinc/50/99/41/495509941.db2.gz XFYOFYSLZILFGN-JTQLQIEISA-N -1 3 368.434 3.070 20 0 FGADHM O=C(Nc1ccccc1C(=O)N1CCCC1)c1cc(-c2ccco2)[n-]n1 ZINC000115634059 495521641 /nfs/dbraw/zinc/52/16/41/495521641.db2.gz BFPKGJIHNZCYJA-UHFFFAOYSA-N -1 3 350.378 3.158 20 0 FGADHM O=C(Nc1ccccc1C(=O)N1CCCC1)c1cc(-c2ccco2)n[n-]1 ZINC000115634059 495521643 /nfs/dbraw/zinc/52/16/43/495521643.db2.gz BFPKGJIHNZCYJA-UHFFFAOYSA-N -1 3 350.378 3.158 20 0 FGADHM O=C(c1ccccc1[O-])N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000143449199 495534768 /nfs/dbraw/zinc/53/47/68/495534768.db2.gz FDDXNIPWLSBVJQ-INIZCTEOSA-N -1 3 362.223 3.368 20 0 FGADHM [O-]c1ccc(Br)c(CN2CCN(c3ccccc3O)CC2)c1 ZINC000158549695 495535463 /nfs/dbraw/zinc/53/54/63/495535463.db2.gz ADYVLIAACQDTFA-UHFFFAOYSA-N -1 3 363.255 3.183 20 0 FGADHM Cc1cnc([C@@H]([N-]S(=O)(=O)c2cnn(-c3ccccc3)c2)C2CC2)s1 ZINC000173490764 495554869 /nfs/dbraw/zinc/55/48/69/495554869.db2.gz JTTWPOYZQKKSMG-INIZCTEOSA-N -1 3 374.491 3.067 20 0 FGADHM Cc1cc(F)ccc1-n1cc(C(=O)[N-]c2nnc(C(C)(C)C)s2)nn1 ZINC000179362536 495561409 /nfs/dbraw/zinc/56/14/09/495561409.db2.gz WLKQKJADFFODHV-UHFFFAOYSA-N -1 3 360.418 3.116 20 0 FGADHM COc1nnc(NC(=O)[C@H]2CC=CC[C@@H]2c2nc3ccccc3s2)[n-]1 ZINC000179377124 495567051 /nfs/dbraw/zinc/56/70/51/495567051.db2.gz GUALEFROZRBVAY-QWRGUYRKSA-N -1 3 355.423 3.112 20 0 FGADHM COc1nc(NC(=O)[C@H]2CC=CC[C@@H]2c2nc3ccccc3s2)n[n-]1 ZINC000179377124 495567059 /nfs/dbraw/zinc/56/70/59/495567059.db2.gz GUALEFROZRBVAY-QWRGUYRKSA-N -1 3 355.423 3.112 20 0 FGADHM COc1n[n-]c(NC(=O)[C@H]2CC=CC[C@@H]2c2nc3ccccc3s2)n1 ZINC000179377124 495567065 /nfs/dbraw/zinc/56/70/65/495567065.db2.gz GUALEFROZRBVAY-QWRGUYRKSA-N -1 3 355.423 3.112 20 0 FGADHM COCCn1c(NC(=O)Cc2ccc([O-])cc2Cl)nc2ccccc21 ZINC000185430453 495573969 /nfs/dbraw/zinc/57/39/69/495573969.db2.gz MPPVNVLNIBUQJI-UHFFFAOYSA-N -1 3 359.813 3.223 20 0 FGADHM COc1ccccc1[C@H](CC(C)C)NC(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000173584127 495598552 /nfs/dbraw/zinc/59/85/52/495598552.db2.gz VUOYFCZAQNUUAD-SFHVURJKSA-N -1 3 371.481 3.232 20 0 FGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)c1ccc(Oc2ccccc2)o1 ZINC000176335543 495605840 /nfs/dbraw/zinc/60/58/40/495605840.db2.gz LJOSSBGXUOVNHW-UHFFFAOYSA-N -1 3 361.361 3.182 20 0 FGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)c1ccc(Oc2ccccc2)o1 ZINC000176335543 495605846 /nfs/dbraw/zinc/60/58/46/495605846.db2.gz LJOSSBGXUOVNHW-UHFFFAOYSA-N -1 3 361.361 3.182 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H]3CCC[C@@H]32)c1 ZINC000179519629 495626597 /nfs/dbraw/zinc/62/65/97/495626597.db2.gz CMEBRLMGCKRDPL-GUYCJALGSA-N -1 3 369.421 3.346 20 0 FGADHM COc1ccc([C@H](C)NC(=O)c2ccc(O)cc2[O-])cc1Br ZINC000170851727 495627986 /nfs/dbraw/zinc/62/79/86/495627986.db2.gz WQGWOGVYQDUVLD-VIFPVBQESA-N -1 3 366.211 3.360 20 0 FGADHM CCOc1ccc([C@@H](C)NC(=O)CCCNC(=O)c2ccccc2[O-])cc1 ZINC000150807187 495640762 /nfs/dbraw/zinc/64/07/62/495640762.db2.gz FLZPIONDZHJKHH-OAHLLOKOSA-N -1 3 370.449 3.178 20 0 FGADHM Cc1noc(C)c1S(=O)(=O)[N-]C(c1cccs1)c1cccs1 ZINC000159150414 495670641 /nfs/dbraw/zinc/67/06/41/495670641.db2.gz NXKLGJCXYHDPEE-UHFFFAOYSA-N -1 3 354.478 3.482 20 0 FGADHM O=C(NC[C@@H](c1cccc(Cl)c1)N1CCCC1)c1cccc2nn[n-]c21 ZINC000182714152 495674025 /nfs/dbraw/zinc/67/40/25/495674025.db2.gz SHIYWZSZRWKUMJ-KRWDZBQOSA-N -1 3 369.856 3.178 20 0 FGADHM O=C(NC[C@@H](c1cccc(Cl)c1)N1CCCC1)c1cccc2[n-]nnc21 ZINC000182714152 495674031 /nfs/dbraw/zinc/67/40/31/495674031.db2.gz SHIYWZSZRWKUMJ-KRWDZBQOSA-N -1 3 369.856 3.178 20 0 FGADHM O=C(CCCOc1ccc2c(c1)CCC(=O)N2)Nc1cc(F)ccc1[O-] ZINC000179646204 495675069 /nfs/dbraw/zinc/67/50/69/495675069.db2.gz MZSOAIXGHJJNJK-UHFFFAOYSA-N -1 3 358.369 3.214 20 0 FGADHM COc1ccc(N[C@H](C)c2ccccc2OC)cc1[N-]S(C)(=O)=O ZINC000182728287 495679482 /nfs/dbraw/zinc/67/94/82/495679482.db2.gz 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505798358 /nfs/dbraw/zinc/79/83/58/505798358.db2.gz VYOFAEAWYAUADU-NVXWUHKLSA-N -1 3 368.271 3.467 20 0 FGADHM O=C(c1ccccc1)N1CCC(C(=O)N2CCCc3cccc([O-])c32)CC1 ZINC000182904557 495750665 /nfs/dbraw/zinc/75/06/65/495750665.db2.gz QWDHEHAODRLSND-UHFFFAOYSA-N -1 3 364.445 3.224 20 0 FGADHM C[C@@H](NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C1CC1 ZINC000182906998 495751082 /nfs/dbraw/zinc/75/10/82/495751082.db2.gz JGZYIUSOANQRBZ-AUUYWEPGSA-N -1 3 352.434 3.168 20 0 FGADHM CCc1ccc([O-])c(C(=O)Nc2c(C)nn(C)c2Oc2cccnc2)c1 ZINC000171201510 495767073 /nfs/dbraw/zinc/76/70/73/495767073.db2.gz IANRDURJEFKXQC-UHFFFAOYSA-N -1 3 352.394 3.436 20 0 FGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)c2cc(-c3ccccc3)no2)c1 ZINC000173970726 495768748 /nfs/dbraw/zinc/76/87/48/495768748.db2.gz FLPHBGVHIDSOSV-UHFFFAOYSA-N -1 3 371.418 3.274 20 0 FGADHM COCCn1ccc2ccc([N-]S(=O)(=O)c3ccc(OC)cc3C)cc21 ZINC000179887554 495770716 /nfs/dbraw/zinc/77/07/16/495770716.db2.gz BRIFZISITAPRMK-UHFFFAOYSA-N -1 3 374.462 3.406 20 0 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Cc1c([O-])ccc2c(CN[C@@H](C[S@](C)=O)c3ccccc3)cc(=O)oc12 ZINC000183147351 495854678 /nfs/dbraw/zinc/85/46/78/495854678.db2.gz VKTCQZNYMKTKHF-QLXKLKPCSA-N -1 3 371.458 3.016 20 0 FGADHM COC(=O)c1cccc([N-]C(=O)c2cc(-c3cccnc3)on2)c1Cl ZINC000568919582 505808018 /nfs/dbraw/zinc/80/80/18/505808018.db2.gz DLMBHMVFHWEYHZ-UHFFFAOYSA-N -1 3 357.753 3.429 20 0 FGADHM C[C@H](Oc1cccc(Br)c1)C(=O)NCc1ccc([O-])c(F)c1 ZINC000174207810 495863858 /nfs/dbraw/zinc/86/38/58/495863858.db2.gz VZIJMPCWRMMJOF-JTQLQIEISA-N -1 3 368.202 3.378 20 0 FGADHM COc1ccc(CC(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000151516799 495864141 /nfs/dbraw/zinc/86/41/41/495864141.db2.gz UKEDHGPXDVMVER-UHFFFAOYSA-N -1 3 350.212 3.022 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-]CCOc1ccc(C(C)C)cc1 ZINC000155189544 495868456 /nfs/dbraw/zinc/86/84/56/495868456.db2.gz LKLUMWTXKZWFPK-UHFFFAOYSA-N -1 3 355.481 3.237 20 0 FGADHM COc1cccc(OC)c1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000151546554 495873744 /nfs/dbraw/zinc/87/37/44/495873744.db2.gz 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ZINC000155275383 495901875 /nfs/dbraw/zinc/90/18/75/495901875.db2.gz DRUVXHYODBLZSO-UHFFFAOYSA-N -1 3 363.487 3.065 20 0 FGADHM Cc1cc(C(=O)Nc2nc(SCCO)n[n-]2)c(C)n1C1CCCCC1 ZINC000155275383 495901880 /nfs/dbraw/zinc/90/18/80/495901880.db2.gz DRUVXHYODBLZSO-UHFFFAOYSA-N -1 3 363.487 3.065 20 0 FGADHM Cc1cc(C(=O)Nc2n[n-]c(SCCO)n2)c(C)n1C1CCCCC1 ZINC000155275383 495901886 /nfs/dbraw/zinc/90/18/86/495901886.db2.gz DRUVXHYODBLZSO-UHFFFAOYSA-N -1 3 363.487 3.065 20 0 FGADHM Cc1ncsc1C=CC(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000186284654 495928827 /nfs/dbraw/zinc/92/88/27/495928827.db2.gz JHLHZNYRSNBJST-BQYQJAHWSA-N -1 3 352.419 3.162 20 0 FGADHM CC(C)(C)c1cc(NC(=O)c2ccc3n[n-]nc3c2)n(-c2ccccn2)n1 ZINC000171577460 495933253 /nfs/dbraw/zinc/93/32/53/495933253.db2.gz HYHAVBWDUXZQMZ-UHFFFAOYSA-N -1 3 361.409 3.088 20 0 FGADHM C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)c1cc(F)c([O-])c(F)c1 ZINC000177171772 495959954 /nfs/dbraw/zinc/95/99/54/495959954.db2.gz BQSOIIPKSZRWNM-AWEZNQCLSA-N -1 3 360.404 3.407 20 0 FGADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2csc(-c3ccoc3)n2)CC1 ZINC000177177732 495962537 /nfs/dbraw/zinc/96/25/37/495962537.db2.gz MJDXJJDOFZODGU-UHFFFAOYSA-N -1 3 369.446 3.067 20 0 FGADHM CC(C)C[C@H]1CCCN(C(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)C1 ZINC000151934277 495997550 /nfs/dbraw/zinc/99/75/50/495997550.db2.gz VOAHAQZTQUBLIQ-CYBMUJFWSA-N -1 3 356.463 3.096 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CC[C@H](C)C[C@@H](C)C2)c1 ZINC000183471461 495998033 /nfs/dbraw/zinc/99/80/33/495998033.db2.gz RKFWXLLZRBXEFE-QWHCGFSZSA-N -1 3 371.437 3.449 20 0 FGADHM O=C(NCc1ccc(Oc2cccnc2)c(F)c1)c1cccc2nn[n-]c21 ZINC000183484623 496004219 /nfs/dbraw/zinc/00/42/19/496004219.db2.gz KAPWSSHKNHHKMQ-UHFFFAOYSA-N -1 3 363.352 3.214 20 0 FGADHM O=C(NCc1ccc(Oc2cccnc2)c(F)c1)c1cccc2[n-]nnc21 ZINC000183484623 496004224 /nfs/dbraw/zinc/00/42/24/496004224.db2.gz KAPWSSHKNHHKMQ-UHFFFAOYSA-N -1 3 363.352 3.214 20 0 FGADHM O=C(NCc1ccc(Oc2cccnc2)c(F)c1)c1cccc2n[n-]nc21 ZINC000183484623 496004229 /nfs/dbraw/zinc/00/42/29/496004229.db2.gz KAPWSSHKNHHKMQ-UHFFFAOYSA-N -1 3 363.352 3.214 20 0 FGADHM CCc1nc(-c2ccc(C(=O)Nc3cccc(C(C)=O)c3[O-])cc2)n[nH]1 ZINC000574627562 505818443 /nfs/dbraw/zinc/81/84/43/505818443.db2.gz WYVZNSOWQZEZCM-UHFFFAOYSA-N -1 3 350.378 3.195 20 0 FGADHM CCOc1cc(C(=O)N2CCN(C3CCCC3)CC2)cc(Cl)c1[O-] ZINC000186565811 496049138 /nfs/dbraw/zinc/04/91/38/496049138.db2.gz IQIPVLWWWBAACG-UHFFFAOYSA-N -1 3 352.862 3.145 20 0 FGADHM Cc1ccc(C[C@H](NC(=O)c2cccc3nn[n-]c32)c2ccccn2)cc1 ZINC000183627848 496054406 /nfs/dbraw/zinc/05/44/06/496054406.db2.gz MXEMBRKVVAXXNX-IBGZPJMESA-N -1 3 357.417 3.375 20 0 FGADHM Cc1ccc(C[C@H](NC(=O)c2cccc3[n-]nnc32)c2ccccn2)cc1 ZINC000183627848 496054409 /nfs/dbraw/zinc/05/44/09/496054409.db2.gz MXEMBRKVVAXXNX-IBGZPJMESA-N -1 3 357.417 3.375 20 0 FGADHM Cc1ccc(C[C@H](NC(=O)c2cccc3n[n-]nc32)c2ccccn2)cc1 ZINC000183627848 496054412 /nfs/dbraw/zinc/05/44/12/496054412.db2.gz MXEMBRKVVAXXNX-IBGZPJMESA-N -1 3 357.417 3.375 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N[C@H]3CCCC[C@@H]3n3cccn3)c[n-]c12 ZINC000155754932 496057624 /nfs/dbraw/zinc/05/76/24/496057624.db2.gz YXTVPVCFGGQENK-IRXDYDNUSA-N -1 3 368.412 3.086 20 0 FGADHM COc1ccc(C(=O)N[C@@H](c2noc(C)n2)c2ccc(Cl)cc2)c([O-])c1 ZINC000180608852 496067687 /nfs/dbraw/zinc/06/76/87/496067687.db2.gz WJBCTUIRMPOCAZ-MRXNPFEDSA-N -1 3 373.796 3.265 20 0 FGADHM CN(Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1)CC1CCOCC1 ZINC000155786954 496068314 /nfs/dbraw/zinc/06/83/14/496068314.db2.gz FERKSWZRVPCABH-UHFFFAOYSA-N -1 3 359.451 3.103 20 0 FGADHM CCN1CCc2nc([N-]C(=O)c3c(F)c(F)cc(F)c3F)sc2C1 ZINC000177482364 496079340 /nfs/dbraw/zinc/07/93/40/496079340.db2.gz AKLORGRFCXSTQS-UHFFFAOYSA-N -1 3 359.348 3.330 20 0 FGADHM COCCn1c2ccccc2nc1SCC(=O)Nc1ccccc1[O-] ZINC000180664377 496094347 /nfs/dbraw/zinc/09/43/47/496094347.db2.gz BNAFEYUIYIIHSZ-UHFFFAOYSA-N -1 3 357.435 3.119 20 0 FGADHM O=S(=O)([N-][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1ccc(Cl)c(Cl)c1 ZINC000155889611 496098555 /nfs/dbraw/zinc/09/85/55/496098555.db2.gz BEZBHVTUWRNMJB-GDLCADMTSA-N -1 3 362.278 3.229 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-]CCc1csc2ccccc12 ZINC000177530259 496099560 /nfs/dbraw/zinc/09/95/60/496099560.db2.gz JHRKWOBHIOOSPX-UHFFFAOYSA-N -1 3 353.490 3.492 20 0 FGADHM CC(C)CNC(=O)N1CCC[C@@H](C(=O)Nc2cc(Cl)ccc2[O-])C1 ZINC000155909826 496103626 /nfs/dbraw/zinc/10/36/26/496103626.db2.gz NOTLQWXKTHOOJG-GFCCVEGCSA-N -1 3 353.850 3.062 20 0 FGADHM O=C(c1cc(Cl)ccc1[O-])N1CCC(CCCN2CCOCC2)CC1 ZINC000180746137 496129255 /nfs/dbraw/zinc/12/92/55/496129255.db2.gz RTSUZOKNGORMEX-UHFFFAOYSA-N -1 3 366.889 3.010 20 0 FGADHM CCC[C@@H](CC1CCCC1)C(=O)NCc1ccc(S(=O)(=O)[N-]C)s1 ZINC000172012324 496129502 /nfs/dbraw/zinc/12/95/02/496129502.db2.gz NGYZOIFUSLDKMT-AWEZNQCLSA-N -1 3 372.556 3.269 20 0 FGADHM C[C@@H](CC(=O)c1cccs1)[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000152385168 496135235 /nfs/dbraw/zinc/13/52/35/496135235.db2.gz QMODGPWJAKVRKU-VIFPVBQESA-N -1 3 361.847 3.480 20 0 FGADHM CSC[C@@H](C)NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000183863588 496140555 /nfs/dbraw/zinc/14/05/55/496140555.db2.gz OWCATEMPOVKQKW-RDTXWAMCSA-N -1 3 372.490 3.121 20 0 FGADHM Cc1nc(C)c(CCC(=O)N[C@H]2c3ccccc3CC[C@H]2C(C)C)c(=O)[n-]1 ZINC000183862324 496141047 /nfs/dbraw/zinc/14/10/47/496141047.db2.gz CDGPTIUEITWPHW-LAUBAEHRSA-N -1 3 367.493 3.395 20 0 FGADHM O=C(CCn1ccnc1)Nc1cccc(C(=O)Nc2cc(F)ccc2[O-])c1 ZINC000174883314 496147047 /nfs/dbraw/zinc/14/70/47/496147047.db2.gz IJCZXXAVEVCDJE-UHFFFAOYSA-N -1 3 368.368 3.009 20 0 FGADHM CN(C)c1ncc(Br)cc1C(=O)Nc1cc(F)ccc1[O-] ZINC000174886433 496149732 /nfs/dbraw/zinc/14/97/32/496149732.db2.gz WETYRBOUCMNTTA-UHFFFAOYSA-N -1 3 354.179 3.007 20 0 FGADHM Cc1ccc(-n2cnnc2SCC(=O)Nc2cc(F)ccc2[O-])cc1 ZINC000174902965 496155824 /nfs/dbraw/zinc/15/58/24/496155824.db2.gz IZZBEEHVYJQOEE-UHFFFAOYSA-N -1 3 358.398 3.151 20 0 FGADHM C[C@H](CNC(=O)c1c([O-])cccc1O)Oc1ccccc1Br ZINC000180858904 496174524 /nfs/dbraw/zinc/17/45/24/496174524.db2.gz 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O=C(CC[S@](=O)c1cccc([O-])c1)Nc1cccc(Br)c1 ZINC000184038025 496213405 /nfs/dbraw/zinc/21/34/05/496213405.db2.gz XPXBLWZGAFCLOF-NRFANRHFSA-N -1 3 368.252 3.291 20 0 FGADHM C[C@H](C(=O)Nc1cccc(Br)c1)[S@@](=O)c1cccc([O-])c1 ZINC000184048712 496217637 /nfs/dbraw/zinc/21/76/37/496217637.db2.gz ICHNYUAWNMOZMI-LADRHHBVSA-N -1 3 368.252 3.290 20 0 FGADHM CC1(C)C[C@H]([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)CCO1 ZINC000156328646 496217300 /nfs/dbraw/zinc/21/73/00/496217300.db2.gz SSARFXUDEAWZRH-SNVBAGLBSA-N -1 3 355.353 3.080 20 0 FGADHM CCOCc1ccccc1C[N-]S(=O)(=O)c1ccccc1SC ZINC000186932866 496217856 /nfs/dbraw/zinc/21/78/56/496217856.db2.gz UPAFDLWGRDKLIW-UHFFFAOYSA-N -1 3 351.493 3.424 20 0 FGADHM CN(C)CCN(Cc1ccccc1)C(=O)c1cc(F)cc(Cl)c1[O-] ZINC000161701587 496224207 /nfs/dbraw/zinc/22/42/07/496224207.db2.gz VZSFFXSHEVBPTR-UHFFFAOYSA-N -1 3 350.821 3.389 20 0 FGADHM COCc1ccsc1C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000180970618 496224908 /nfs/dbraw/zinc/22/49/08/496224908.db2.gz GQOLXCLBMOWPBK-UHFFFAOYSA-N -1 3 355.419 3.206 20 0 FGADHM COc1cc(C(=O)Nc2cccc(Cl)c2N(C)C)cc(OC)c1[O-] ZINC000161818681 496243003 /nfs/dbraw/zinc/24/30/03/496243003.db2.gz WMDXIXDWWXQBDK-UHFFFAOYSA-N -1 3 350.802 3.381 20 0 FGADHM COC(=O)c1[nH]c(C)c(C(=O)Nc2ccc(Br)cc2[O-])c1C ZINC000152750044 496245362 /nfs/dbraw/zinc/24/53/62/496245362.db2.gz NIRJSSZPOFYQOI-UHFFFAOYSA-N -1 3 367.199 3.139 20 0 FGADHM CC[C@H]1c2cccn2CCN1C(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000156469775 496253658 /nfs/dbraw/zinc/25/36/58/496253658.db2.gz RXIZWCYPSSRXKM-INIZCTEOSA-N -1 3 353.397 3.384 20 0 FGADHM CO[C@@](C)(C(=O)NCc1ccc([O-])c(Br)c1)c1ccccc1 ZINC000156532795 496271262 /nfs/dbraw/zinc/27/12/62/496271262.db2.gz IMCRXFIYPMVGKB-QGZVFWFLSA-N -1 3 364.239 3.333 20 0 FGADHM COc1cc(C)c([N-]S(=O)(=O)c2ccc(OC)c(F)c2C)cc1F ZINC000187067864 496278563 /nfs/dbraw/zinc/27/85/63/496278563.db2.gz VMTZRODWTBCJGL-UHFFFAOYSA-N -1 3 357.378 3.400 20 0 FGADHM Cc1cc(Cl)cc(NC(=O)[C@H]2CN(Cc3ccccc3)CCO2)c1[O-] ZINC000156577794 496283681 /nfs/dbraw/zinc/28/36/81/496283681.db2.gz FLGWWDHROIWZCQ-QGZVFWFLSA-N -1 3 360.841 3.194 20 0 FGADHM CCCCNC(=O)c1ccc(CNC(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000172552627 496337929 /nfs/dbraw/zinc/33/79/29/496337929.db2.gz SOHMTGUGWIQNEK-UHFFFAOYSA-N -1 3 373.428 3.061 20 0 FGADHM O=C([O-])c1nc(-c2ccccc2)oc1CN1CC[C@@H](COC(F)F)C1 ZINC000580785435 505838026 /nfs/dbraw/zinc/83/80/26/505838026.db2.gz DHQRZJSDSQITGZ-LLVKDONJSA-N -1 3 352.337 3.101 20 0 FGADHM CC1(C)CCC[C@@H](CC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)C1 ZINC000156813021 496339155 /nfs/dbraw/zinc/33/91/55/496339155.db2.gz AQJOBTAURAWPFR-INIZCTEOSA-N -1 3 358.482 3.283 20 0 FGADHM CN(C)c1cccc(CNC(=O)c2c[n-]nc2-c2ccc(Cl)s2)n1 ZINC000187224419 496347719 /nfs/dbraw/zinc/34/77/19/496347719.db2.gz DLYDIHXQLOAOJE-UHFFFAOYSA-N -1 3 361.858 3.183 20 0 FGADHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)Nc1cccc(C)c1C ZINC000156867769 496352329 /nfs/dbraw/zinc/35/23/29/496352329.db2.gz XWUGHTJQHVLPAH-UHFFFAOYSA-N -1 3 360.435 3.427 20 0 FGADHM Cc1cccc(S(=O)(=O)[N-][C@@H](C)c2cccc(-n3cccn3)c2)c1F ZINC000181341737 496359189 /nfs/dbraw/zinc/35/91/89/496359189.db2.gz ASPATJJVBFPYHZ-AWEZNQCLSA-N -1 3 359.426 3.359 20 0 FGADHM Cc1cc(C)c(C(=O)Nc2cc(N3CCCS3(=O)=O)ccc2[O-])c(C)c1 ZINC000156934071 496368178 /nfs/dbraw/zinc/36/81/78/496368178.db2.gz OTTDNMWDFJCEGP-UHFFFAOYSA-N -1 3 374.462 3.110 20 0 FGADHM O=S(=O)([N-]CCCN1CCCC1)c1c(Cl)cccc1C(F)(F)F ZINC000172658347 496376800 /nfs/dbraw/zinc/37/68/00/496376800.db2.gz OOMXQQXTICNDIA-UHFFFAOYSA-N -1 3 370.824 3.123 20 0 FGADHM C[C@H]([N-]S(=O)(=O)Cc1ccc(Cl)c(Cl)c1)C(=O)OC(C)(C)C ZINC000157067654 496398847 /nfs/dbraw/zinc/39/88/47/496398847.db2.gz LZKZVVUAWYTFFB-VIFPVBQESA-N -1 3 368.282 3.143 20 0 FGADHM O=S(=O)([N-][C@@H]1CCO[C@@H](C2CC2)C1)c1c(Cl)cccc1Cl ZINC000162738646 496405778 /nfs/dbraw/zinc/40/57/78/496405778.db2.gz JTXLVWRNWBOFKQ-ZWNOBZJWSA-N -1 3 350.267 3.229 20 0 FGADHM O=C(Cc1ccc(Br)cc1[O-])N1CCC[C@@H]1[C@H]1CCCOC1 ZINC000578015040 505842199 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Cn1nc([C@H]2CCCOC2)cc1NC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000333104906 498901314 /nfs/dbraw/zinc/90/13/14/498901314.db2.gz WBDGJTHIIDQTSR-HNNXBMFYSA-N -1 3 355.438 3.151 20 0 FGADHM CN(Cc1cccc(Br)c1)C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000576237946 506111042 /nfs/dbraw/zinc/11/10/42/506111042.db2.gz OFBMGADYTSGRMG-UHFFFAOYSA-N -1 3 362.227 3.094 20 0 FGADHM CC[C@H](c1n[n-]c(=NC(=O)N(C)C[C@@H]2CCCN2C)s1)c1ccccc1 ZINC000570196248 506112899 /nfs/dbraw/zinc/11/28/99/506112899.db2.gz AYVTUDPOOCRIEU-HOTGVXAUSA-N -1 3 373.526 3.060 20 0 FGADHM C[C@@H]1CC[C@@]2(CCN(C(=O)[C@H]3CCCN3C(=O)c3ccccc3[O-])C2)C1 ZINC000333213884 498939355 /nfs/dbraw/zinc/93/93/55/498939355.db2.gz CASDUDBCFSDHBA-QLVMHMETSA-N -1 3 356.466 3.036 20 0 FGADHM CC1(C)CN(C(=O)CCc2ccc3ccccc3c2[O-])C[C@@]2(CCOC2)O1 ZINC000295203082 498942879 /nfs/dbraw/zinc/94/28/79/498942879.db2.gz SSXXRBYBROZWEU-JOCHJYFZSA-N -1 3 369.461 3.275 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H]3Cc4cccc(OC)c4C3)nc2)n1 ZINC000573085008 506115672 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O=C(N[C@H](c1ccc(Cl)cc1)[C@H]1CCOC1)c1ccc2n[n-]nc2c1 ZINC000367892475 499242498 /nfs/dbraw/zinc/24/24/98/499242498.db2.gz JPLAAATXXYAXDZ-SUMWQHHRSA-N -1 3 356.813 3.119 20 0 FGADHM CC(=O)N1CCCCC[C@H]1C1CCN(C(=O)c2ccc(C)cc2[O-])CC1 ZINC000370804615 499256076 /nfs/dbraw/zinc/25/60/76/499256076.db2.gz VQYUDJPLNFNAQS-IBGZPJMESA-N -1 3 358.482 3.344 20 0 FGADHM COc1ccc(C(=O)N2CCC3(C[C@H]3c3nnc(C(C)C)o3)CC2)c([O-])c1 ZINC000370859481 499263443 /nfs/dbraw/zinc/26/34/43/499263443.db2.gz UJMLYHWOJKBKMO-HNNXBMFYSA-N -1 3 371.437 3.317 20 0 FGADHM Cc1ccc([O-])c(C(=O)Nc2ccc(C)c(S(=O)(=O)NC3CC3)c2C)c1 ZINC000579296468 506139212 /nfs/dbraw/zinc/13/92/12/506139212.db2.gz ZWPODNWECYFQNP-UHFFFAOYSA-N -1 3 374.462 3.010 20 0 FGADHM Cc1cccnc1C1(CNC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)CC1 ZINC000368293003 499282581 /nfs/dbraw/zinc/28/25/81/499282581.db2.gz ZWLWQDYGVUVOAG-UHFFFAOYSA-N -1 3 365.408 3.141 20 0 FGADHM O=C(Nc1n[n-]c(-c2ccccc2F)n1)[C@@H]1CCN(c2ccccc2F)C1 ZINC000570323212 506141996 /nfs/dbraw/zinc/14/19/96/506141996.db2.gz MWFJIFSAQZLQKE-GFCCVEGCSA-N -1 3 369.375 3.215 20 0 FGADHM O=C(N[C@@H]1CC12CCCCC2)NC1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000371410401 499322493 /nfs/dbraw/zinc/32/24/93/499322493.db2.gz SJYNUFZBIKWDSE-GOSISDBHSA-N -1 3 371.481 3.019 20 0 FGADHM Cc1csc(C2CCN(C(=O)c3cc(=O)c4ccccc4[n-]3)CC2)n1 ZINC000371511856 499336893 /nfs/dbraw/zinc/33/68/93/499336893.db2.gz NJFZIMDIDVKZRR-UHFFFAOYSA-N -1 3 353.447 3.313 20 0 FGADHM CC(C)c1nnc2n1CCN(C(=O)c1cc([O-])ccc1C(F)(F)F)[C@@H]2C ZINC000369147908 499370905 /nfs/dbraw/zinc/37/09/05/499370905.db2.gz OBWIEAGICNKDFP-SNVBAGLBSA-N -1 3 368.359 3.343 20 0 FGADHM Cc1cccc(-c2nc([C@@H]3COCCN3C(=O)OC(C)(C)C)no2)c1[O-] ZINC000371893028 499376147 /nfs/dbraw/zinc/37/61/47/499376147.db2.gz CRDSRTTUTLICGL-ZDUSSCGKSA-N -1 3 361.398 3.059 20 0 FGADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCC[C@H](COc2ccccc2)C1 ZINC000369432483 499402726 /nfs/dbraw/zinc/40/27/26/499402726.db2.gz AYZPYMWIMIXKTB-INIZCTEOSA-N -1 3 362.429 3.459 20 0 FGADHM CC(C)c1cccc(S(=O)(=O)[N-]c2ccn(C3CCN(C)CC3)n2)c1 ZINC000369676497 499434999 /nfs/dbraw/zinc/43/49/99/499434999.db2.gz QAEZQIIUOONMMN-UHFFFAOYSA-N -1 3 362.499 3.074 20 0 FGADHM CSc1ccc(C(=O)N2CCC[C@H]2c2ccc(CNC(C)=O)o2)c([O-])c1 ZINC000373069008 499449762 /nfs/dbraw/zinc/44/97/62/499449762.db2.gz HWOUYDMNUFYHBR-INIZCTEOSA-N -1 3 374.462 3.321 20 0 FGADHM Cc1c(-c2ccncc2)[n-][nH]c1=NC(=O)[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000373369964 499465851 /nfs/dbraw/zinc/46/58/51/499465851.db2.gz NXDYUKHOOMPJPI-OLZOCXBDSA-N -1 3 372.350 3.362 20 0 FGADHM Cc1c(-c2ccncc2)[n-][nH]c1=NC(=O)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000373369965 499465907 /nfs/dbraw/zinc/46/59/07/499465907.db2.gz NXDYUKHOOMPJPI-QWHCGFSZSA-N -1 3 372.350 3.362 20 0 FGADHM Cc1cncn1C1CCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])CC1 ZINC000373574092 499477673 /nfs/dbraw/zinc/47/76/73/499477673.db2.gz PLOMLBPTBIQMIN-UHFFFAOYSA-N -1 3 353.344 3.393 20 0 FGADHM COc1cc(C(=O)Nc2ccc(F)cc2-c2cnn(C)c2)cc(OC)c1[O-] ZINC000373660281 499482373 /nfs/dbraw/zinc/48/23/73/499482373.db2.gz ZIQMXUFUBDAAFW-UHFFFAOYSA-N -1 3 371.368 3.201 20 0 FGADHM CC(C)(CC(=O)NC1CCN(C(=O)c2cccc([O-])c2)CC1)C(F)(F)F ZINC000373737115 499485613 /nfs/dbraw/zinc/48/56/13/499485613.db2.gz QHNVTTJXBFZWES-UHFFFAOYSA-N -1 3 372.387 3.092 20 0 FGADHM CC(C)c1occc1C(=O)NC1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000373736749 499485656 /nfs/dbraw/zinc/48/56/56/499485656.db2.gz PEKWPWQBSNBMNW-UHFFFAOYSA-N -1 3 356.422 3.143 20 0 FGADHM C[C@@H]1C[C@]2(CCO1)CN(C(=O)c1cc([O-])c3ccccc3c1)C[C@H](C)O2 ZINC000373751181 499486294 /nfs/dbraw/zinc/48/62/94/499486294.db2.gz KEHDDKKKDFHXHR-LRAJWGHMSA-N -1 3 355.434 3.344 20 0 FGADHM COc1ccc2c(c1)CCC[C@@H]2N(C)C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000573217647 506147002 /nfs/dbraw/zinc/14/70/02/506147002.db2.gz LVCCYHFWKGTNJS-KRWDZBQOSA-N -1 3 353.422 3.218 20 0 FGADHM COc1cc(C(=O)N2CCC[C@H](c3ncc(C)s3)C2)cc(OC)c1[O-] ZINC000378315718 499501011 /nfs/dbraw/zinc/50/10/11/499501011.db2.gz MSGFKICUHSQCDK-LBPRGKRZSA-N -1 3 362.451 3.194 20 0 FGADHM CSc1ccc(C(=O)N2CCC[C@H](c3nncn3C(C)C)C2)c([O-])c1 ZINC000375524143 499528521 /nfs/dbraw/zinc/52/85/21/499528521.db2.gz GAUWKERFZPTTJT-ZDUSSCGKSA-N -1 3 360.483 3.306 20 0 FGADHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)C[C@@](C)(O)c3ccccc3)c2)n1 ZINC000378561051 499531632 /nfs/dbraw/zinc/53/16/32/499531632.db2.gz SYOGWTOTSFLAAE-OAQYLSRUSA-N -1 3 363.417 3.394 20 0 FGADHM CC(C)(C)OC(=O)CC[C@@H]1CCCCN1C(=O)c1cccc2[n-]nnc21 ZINC000579331079 506148757 /nfs/dbraw/zinc/14/87/57/506148757.db2.gz AWSNSAHFEXGZAG-ZDUSSCGKSA-N -1 3 358.442 3.075 20 0 FGADHM CC(C)(C)OC(=O)CC[C@@H]1CCCCN1C(=O)c1cccc2nn[n-]c21 ZINC000579331079 506148759 /nfs/dbraw/zinc/14/87/59/506148759.db2.gz AWSNSAHFEXGZAG-ZDUSSCGKSA-N -1 3 358.442 3.075 20 0 FGADHM CC(C)(C)OC(=O)CC[C@@H]1CCCCN1C(=O)c1cccc2n[n-]nc21 ZINC000579331079 506148761 /nfs/dbraw/zinc/14/87/61/506148761.db2.gz AWSNSAHFEXGZAG-ZDUSSCGKSA-N -1 3 358.442 3.075 20 0 FGADHM COc1ccc(C(=O)N2CCN(Cc3ccccc3)C(C)(C)C2)c([O-])c1 ZINC000383081191 499546550 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ZYQJOTKSAYTGDL-DNVCBOLYSA-N -1 3 363.408 3.361 20 0 FGADHM CC(C)=CCSC[C@@H](NCc1c(C)nn(C(C)(C)C)c1C)C(=O)[O-] ZINC000417604097 500122455 /nfs/dbraw/zinc/12/24/55/500122455.db2.gz ASWQSIABAKTBHZ-MRXNPFEDSA-N -1 3 353.532 3.497 20 0 FGADHM COc1cccc(-c2nn(C(C)(C)C)cc2CN[C@@H]2C=C[C@H](C(=O)[O-])C2)c1 ZINC000417627750 500129296 /nfs/dbraw/zinc/12/92/96/500129296.db2.gz VIVJQEKXIBSZKY-DOTOQJQBSA-N -1 3 369.465 3.433 20 0 FGADHM COC[C@H](NCc1cn(-c2ccccc2Cl)nc1C(C)(C)C)C(=O)[O-] ZINC000417629484 500130087 /nfs/dbraw/zinc/13/00/87/500130087.db2.gz QHYBIPOIYBVMHX-AWEZNQCLSA-N -1 3 365.861 3.012 20 0 FGADHM C[C@@H]1[C@H](CO)CCCN1C(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000414040297 500134408 /nfs/dbraw/zinc/13/44/08/500134408.db2.gz QTOJPPYEKFKSKU-WBVHZDCISA-N -1 3 355.434 3.204 20 0 FGADHM C[C@@H]([C@@H](NCc1cn(-c2cccc(Cl)c2Cl)nn1)C(=O)[O-])C1CC1 ZINC000417643114 500135659 /nfs/dbraw/zinc/13/56/59/500135659.db2.gz YUXJVUDGCZHTFF-RFAUZJTJSA-N -1 3 369.252 3.163 20 0 FGADHM C[C@@H]1[C@@H](CO)CCCN1C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000414042397 500135718 /nfs/dbraw/zinc/13/57/18/500135718.db2.gz RZTFZPNGMJNLBU-VQIMIIECSA-N -1 3 353.462 3.410 20 0 FGADHM C[C@H]1[C@H](CO)CCCN1C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000414042392 500136057 /nfs/dbraw/zinc/13/60/57/500136057.db2.gz RZTFZPNGMJNLBU-LPHOPBHVSA-N -1 3 353.462 3.410 20 0 FGADHM COc1cccc(C[C@@H](CNCc2ccc(Br)o2)C(=O)[O-])c1 ZINC000417657639 500139913 /nfs/dbraw/zinc/13/99/13/500139913.db2.gz YQBMRLFSLKYJQZ-LBPRGKRZSA-N -1 3 368.227 3.084 20 0 FGADHM CC1CCN(CC[N-]S(=O)(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000429864430 500158768 /nfs/dbraw/zinc/15/87/68/500158768.db2.gz IJLOHVMURJSPDH-UHFFFAOYSA-N -1 3 351.299 3.004 20 0 FGADHM O=S(=O)(Cc1c(F)cccc1F)[N-]Cc1c(F)cc(F)c(F)c1F ZINC000429876397 500160804 /nfs/dbraw/zinc/16/08/04/500160804.db2.gz HCEAMSKKBVXCIJ-UHFFFAOYSA-N -1 3 369.286 3.141 20 0 FGADHM C[C@@H](CNC(=O)c1cc(=O)c2ccccc2[n-]1)Oc1ccc(Cl)cc1 ZINC000430105805 500193107 /nfs/dbraw/zinc/19/31/07/500193107.db2.gz 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ZINC000426367755 500265226 /nfs/dbraw/zinc/26/52/26/500265226.db2.gz YPRJMVKWGOOZIX-ZDUSSCGKSA-N -1 3 366.508 3.201 20 0 FGADHM CC[C@H](COC)NC(=O)c1c[n-]c2ccc(Oc3ccccc3)cc2c1=O ZINC000430658053 500266411 /nfs/dbraw/zinc/26/64/11/500266411.db2.gz ZSAFQYUZWLKGQD-CQSZACIVSA-N -1 3 366.417 3.475 20 0 FGADHM Cc1ccc([C@@H](NC(=O)CN(C)CCCC(=O)[O-])c2cccs2)cc1 ZINC000430671151 500268042 /nfs/dbraw/zinc/26/80/42/500268042.db2.gz PJTYNRIWQLCRMR-LJQANCHMSA-N -1 3 360.479 3.059 20 0 FGADHM C[C@H](CN(C)CC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000422584826 500277526 /nfs/dbraw/zinc/27/75/26/500277526.db2.gz FZBAFWJWBHTFOL-ABAIWWIYSA-N -1 3 373.280 3.309 20 0 FGADHM COc1cc(CN2C[C@@H](C(=O)[O-])CC[C@H]2C)ccc1OCC(F)(F)F ZINC000422630306 500283441 /nfs/dbraw/zinc/28/34/41/500283441.db2.gz BEXUZVAEJRTZGV-YPMHNXCESA-N -1 3 361.360 3.321 20 0 FGADHM C[C@H](CCCNCc1cc(Cl)ccc1OC[C@@H]1CCCO1)C(=O)[O-] ZINC000426645521 500299771 /nfs/dbraw/zinc/29/97/71/500299771.db2.gz DUUAJDIRCVBLED-CJNGLKHVSA-N -1 3 355.862 3.488 20 0 FGADHM COc1cc(CNC[C@H](Oc2ccc(F)cc2)C(=O)[O-])ccc1SC ZINC000426643265 500299858 /nfs/dbraw/zinc/29/98/58/500299858.db2.gz NYRNODQFBLLTJV-INIZCTEOSA-N -1 3 365.426 3.178 20 0 FGADHM COc1cc2c(c(CNC[C@@H](Cc3ccc(C)cc3)C(=O)[O-])c1)O[C@H](C)C2 ZINC000426654263 500301967 /nfs/dbraw/zinc/30/19/67/500301967.db2.gz JPLHAUXOUAEKMA-DNVCBOLYSA-N -1 3 369.461 3.360 20 0 FGADHM COc1cc(Cl)c(CN[C@@H](Cc2ccc(O)cc2)C(=O)[O-])cc1Cl ZINC000426655803 500302091 /nfs/dbraw/zinc/30/20/91/500302091.db2.gz USVTYOMEOBWMIZ-HNNXBMFYSA-N -1 3 370.232 3.493 20 0 FGADHM CCCSC[C@H](NCc1cccc(Br)c1OC)C(=O)[O-] ZINC000426817428 500325061 /nfs/dbraw/zinc/32/50/61/500325061.db2.gz OSCZXPKDLZCDQI-LBPRGKRZSA-N -1 3 362.289 3.144 20 0 FGADHM Cn1c(CN[C@H](Cc2ccc(F)cc2)C(=O)[O-])nc2ccc(Cl)cc21 ZINC000426719245 500310338 /nfs/dbraw/zinc/31/03/38/500310338.db2.gz FIGZTORBWRSLMS-OAHLLOKOSA-N -1 3 361.804 3.151 20 0 FGADHM O=C([O-])[C@@H](CSCCc1ccccc1)NCc1cc(F)ccc1F ZINC000426726081 500311666 /nfs/dbraw/zinc/31/16/66/500311666.db2.gz HADWECTYEIPFNN-QGZVFWFLSA-N -1 3 351.418 3.484 20 0 FGADHM O=C([O-])[C@@H](CN1CCCc2ccccc21)NCc1ccsc1Cl ZINC000426745366 500314428 /nfs/dbraw/zinc/31/44/28/500314428.db2.gz UQFZLZLLSDNMSM-CQSZACIVSA-N -1 3 350.871 3.397 20 0 FGADHM COc1cccc(CSC[C@@H](NCc2sc(C)nc2C)C(=O)[O-])c1 ZINC000426753239 500315800 /nfs/dbraw/zinc/31/58/00/500315800.db2.gz CRHPWLMVIIKZEX-OAHLLOKOSA-N -1 3 366.508 3.245 20 0 FGADHM COc1ccc(CN[C@@H](C(=O)[O-])c2ccc(O)cc2)cc1OCC(C)C ZINC000426764336 500317200 /nfs/dbraw/zinc/31/72/00/500317200.db2.gz IAKOPDLCJYHRTF-LJQANCHMSA-N -1 3 359.422 3.351 20 0 FGADHM CCC[C@@H](C)C[C@@H](NCc1cn(-c2ccc(F)cc2Cl)nn1)C(=O)[O-] ZINC000426793087 500321351 /nfs/dbraw/zinc/32/13/51/500321351.db2.gz PAJKWHRBSUGEEL-IAQYHMDHSA-N -1 3 368.840 3.429 20 0 FGADHM CCc1ccc([C@@H](NCc2ccc(-n3cncn3)c(C)c2)C(=O)[O-])cc1 ZINC000426826924 500325703 /nfs/dbraw/zinc/32/57/03/500325703.db2.gz QLBQPECMASFHEI-LJQANCHMSA-N -1 3 350.422 3.054 20 0 FGADHM CC(C)(C)OC(=O)C[C@@H](NCc1cnc(-c2cccs2)s1)C(=O)[O-] ZINC000426829766 500325890 /nfs/dbraw/zinc/32/58/90/500325890.db2.gz RLYRWXXJIPAQEE-LLVKDONJSA-N -1 3 368.480 3.146 20 0 FGADHM C[C@H]1C[C@H](N=c2[n-]c(C(F)(F)F)c(Br)s2)CCN1C ZINC000418883596 500328275 /nfs/dbraw/zinc/32/82/75/500328275.db2.gz VFZHAXOZXSWDNA-NKWVEPMBSA-N -1 3 358.227 3.241 20 0 FGADHM O=S(=O)([N-]C[C@@H](CO)Cc1ccccc1)c1c(Cl)cccc1Cl ZINC000431078754 500332459 /nfs/dbraw/zinc/33/24/59/500332459.db2.gz VORZUACFYGUAHU-ZDUSSCGKSA-N -1 3 374.289 3.123 20 0 FGADHM Cc1ccc2[n-]cc(C(=O)N(Cc3ccco3)C[C@H]3CCCO3)c(=O)c2c1 ZINC000426895586 500334132 /nfs/dbraw/zinc/33/41/32/500334132.db2.gz TYADFHUELPUHQL-MRXNPFEDSA-N -1 3 366.417 3.251 20 0 FGADHM CCOC(=O)c1ccc(NC(=O)[C@H]2CCCc3sc(C)nc32)c([O-])c1 ZINC000426992210 500342559 /nfs/dbraw/zinc/34/25/59/500342559.db2.gz QMPKCGBPKNYJIB-LBPRGKRZSA-N -1 3 360.435 3.392 20 0 FGADHM C[C@@H](NC(=O)CNC(=O)c1cccc([O-])c1)c1cc2ccccc2s1 ZINC000427014786 500344861 /nfs/dbraw/zinc/34/48/61/500344861.db2.gz IOEZWEJEBZSKBG-GFCCVEGCSA-N -1 3 354.431 3.214 20 0 FGADHM Cc1ccc2nc(C3CC3)cc(C(=O)Nc3c(C)[nH]c(=O)[n-]c3=O)c2c1 ZINC000427172466 500362679 /nfs/dbraw/zinc/36/26/79/500362679.db2.gz WZCABXNGNJRTGQ-UHFFFAOYSA-N -1 3 350.378 3.183 20 0 FGADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)c1cc(-c2ccc(Cl)cc2)c[nH]1 ZINC000427197654 500365849 /nfs/dbraw/zinc/36/58/49/500365849.db2.gz QZGLSRCTBREIKP-UHFFFAOYSA-N -1 3 369.734 3.402 20 0 FGADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)c1cc(-c2ccc(Cl)cc2)c[nH]1 ZINC000427197654 500365851 /nfs/dbraw/zinc/36/58/51/500365851.db2.gz QZGLSRCTBREIKP-UHFFFAOYSA-N -1 3 369.734 3.402 20 0 FGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1cc(-c2ccc(Cl)cc2)c[nH]1 ZINC000427197654 500365853 /nfs/dbraw/zinc/36/58/53/500365853.db2.gz QZGLSRCTBREIKP-UHFFFAOYSA-N -1 3 369.734 3.402 20 0 FGADHM CCCCC[C@H]1CCCN1C(=O)CCn1[n-]c(=O)c2ccccc2c1=O ZINC000427206010 500367017 /nfs/dbraw/zinc/36/70/17/500367017.db2.gz ZQEIWEANJCJAHG-HNNXBMFYSA-N -1 3 357.454 3.064 20 0 FGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCC(F)(c2ccccn2)CC1 ZINC000570543681 506192025 /nfs/dbraw/zinc/19/20/25/506192025.db2.gz BRJRUSDJTKABFX-UHFFFAOYSA-N -1 3 372.444 3.284 20 0 FGADHM COc1ccc2cc(CNC(=O)c3cc(F)cc4nn[n-]c43)ccc2c1 ZINC000431505242 500385287 /nfs/dbraw/zinc/38/52/87/500385287.db2.gz JKLLRNWKTNOTKI-UHFFFAOYSA-N -1 3 350.353 3.189 20 0 FGADHM COc1ccc2cc(CNC(=O)c3cc(F)cc4[n-]nnc43)ccc2c1 ZINC000431505242 500385290 /nfs/dbraw/zinc/38/52/90/500385290.db2.gz JKLLRNWKTNOTKI-UHFFFAOYSA-N -1 3 350.353 3.189 20 0 FGADHM COc1ccc2cc(CNC(=O)c3cc(F)cc4n[n-]nc43)ccc2c1 ZINC000431505242 500385292 /nfs/dbraw/zinc/38/52/92/500385292.db2.gz JKLLRNWKTNOTKI-UHFFFAOYSA-N -1 3 350.353 3.189 20 0 FGADHM Cn1cc(-c2c[nH]cc2C(=O)Nc2n[n-]c(-c3ccccc3Cl)n2)cn1 ZINC000427469977 500396733 /nfs/dbraw/zinc/39/67/33/500396733.db2.gz PAGHHCMKCWMSPF-UHFFFAOYSA-N -1 3 367.800 3.106 20 0 FGADHM O=C(Nc1ncccc1[O-])c1cccc(-c2noc(C(F)(F)F)n2)c1 ZINC000431606995 500397781 /nfs/dbraw/zinc/39/77/81/500397781.db2.gz GEVZTVBVFHCJBS-UHFFFAOYSA-N -1 3 350.256 3.108 20 0 FGADHM O=C(CCc1ccncn1)N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1 ZINC000427617151 500411865 /nfs/dbraw/zinc/41/18/65/500411865.db2.gz DDQKZHZLSBNIFG-UHFFFAOYSA-N -1 3 362.220 3.167 20 0 FGADHM CCOc1ccc(Cl)cc1CCNC(=O)c1cc(F)cc2nn[n-]c21 ZINC000431806484 500427516 /nfs/dbraw/zinc/42/75/16/500427516.db2.gz BESPVJCFDFQSQQ-UHFFFAOYSA-N -1 3 362.792 3.122 20 0 FGADHM CCOc1ccc(Cl)cc1CCNC(=O)c1cc(F)cc2[n-]nnc21 ZINC000431806484 500427517 /nfs/dbraw/zinc/42/75/17/500427517.db2.gz BESPVJCFDFQSQQ-UHFFFAOYSA-N -1 3 362.792 3.122 20 0 FGADHM CCOc1ccc(Cl)cc1CCNC(=O)c1cc(F)cc2n[n-]nc21 ZINC000431806484 500427520 /nfs/dbraw/zinc/42/75/20/500427520.db2.gz BESPVJCFDFQSQQ-UHFFFAOYSA-N -1 3 362.792 3.122 20 0 FGADHM O=C(CNC(=O)c1cccc([O-])c1)N1CCC[C@H]1CCCc1ccccc1 ZINC000427765325 500429540 /nfs/dbraw/zinc/42/95/40/500429540.db2.gz MLWGIBSDCRFTPE-LJQANCHMSA-N -1 3 366.461 3.136 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)c1cc(C(=O)OC)c(C)o1)c1cc(F)ccc1F ZINC000431829322 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FGADHM COc1cccc(C(=O)N2CC3(CCOCC3)[C@H]2c2ccccc2)c1[O-] ZINC000576605000 506197149 /nfs/dbraw/zinc/19/71/49/506197149.db2.gz ONQDCGSZTBSVIB-LJQANCHMSA-N -1 3 353.418 3.395 20 0 FGADHM CCc1cnc(S(=O)(=O)[C@@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)[n-]1 ZINC000424205236 500467960 /nfs/dbraw/zinc/46/79/60/500467960.db2.gz LTWFULGCCADQMT-NSHDSACASA-N -1 3 369.874 3.043 20 0 FGADHM CCc1c[n-]c(S(=O)(=O)[C@@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)n1 ZINC000424205236 500467964 /nfs/dbraw/zinc/46/79/64/500467964.db2.gz LTWFULGCCADQMT-NSHDSACASA-N -1 3 369.874 3.043 20 0 FGADHM O=S(=O)(CCOCC1CC1)[N-]c1cccc(Br)c1Cl ZINC000424212294 500469506 /nfs/dbraw/zinc/46/95/06/500469506.db2.gz OFCWGNPUWGUGFQ-UHFFFAOYSA-N -1 3 368.680 3.271 20 0 FGADHM CNC(=O)Cc1ccc(-c2noc(CCCc3ccc([O-])c(F)c3)n2)cc1 ZINC000424245988 500474543 /nfs/dbraw/zinc/47/45/43/500474543.db2.gz SHYLYVRJHKAOQN-UHFFFAOYSA-N -1 3 369.396 3.045 20 0 FGADHM CC(C)(C)c1ccc(CCNC(=O)CN2CCCC[C@@H]2CCC(=O)[O-])cc1 ZINC000424252306 500475522 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CO[C@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000420694622 500489131 /nfs/dbraw/zinc/48/91/31/500489131.db2.gz VWAUDSSFRIHSDD-KOLCDFICSA-N -1 3 369.817 3.035 20 0 FGADHM COC(=O)c1cc(S(=O)(=O)[N-][C@@H](CC(F)F)c2ccccc2)c(C)o1 ZINC000420738813 500493246 /nfs/dbraw/zinc/49/32/46/500493246.db2.gz OAFXNKUZHOYLMK-LBPRGKRZSA-N -1 3 373.377 3.049 20 0 FGADHM Cc1ccc(F)c(S(=O)(=O)[N-]CCc2cccc(C(F)(F)F)n2)c1 ZINC000432285187 500493968 /nfs/dbraw/zinc/49/39/68/500493968.db2.gz TXHRCHQAYSTCPF-UHFFFAOYSA-N -1 3 362.348 3.069 20 0 FGADHM O=S(=O)([N-]CCC[C@@H]1CCOC1)c1cc(Cl)ccc1OC(F)F ZINC000420745709 500494335 /nfs/dbraw/zinc/49/43/35/500494335.db2.gz HATPZEIGHLOIMS-SNVBAGLBSA-N -1 3 369.817 3.036 20 0 FGADHM O=S(=O)([N-][C@H]1Cc2cccc(O)c2C1)c1c(Cl)cccc1Cl ZINC000428381308 500503024 /nfs/dbraw/zinc/50/30/24/500503024.db2.gz GAHIFEZWWUFCOW-JTQLQIEISA-N -1 3 358.246 3.145 20 0 FGADHM Cc1ncc(CNC(=O)NCC[C@H](c2ccccc2)C(F)(F)F)c(=O)[n-]1 ZINC000432460979 500518675 /nfs/dbraw/zinc/51/86/75/500518675.db2.gz GNMVELZLAYARKT-CQSZACIVSA-N -1 3 368.359 3.026 20 0 FGADHM CC(=O)c1cccc(S(=O)(=O)[N-]c2cccc3c2OCC[C@@H]3N(C)C)c1 ZINC000432464002 500519112 /nfs/dbraw/zinc/51/91/12/500519112.db2.gz XJTLFOXRMLHQNM-SFHVURJKSA-N -1 3 374.462 3.075 20 0 FGADHM CN(C(=O)Cc1csc(NC(=O)c2cccc([O-])c2)n1)C1(C)CCCC1 ZINC000428667636 500540712 /nfs/dbraw/zinc/54/07/12/500540712.db2.gz WKTYGFUJPJSRBK-UHFFFAOYSA-N -1 3 373.478 3.435 20 0 FGADHM COC(=O)c1cnc(SCC(=O)N(Cc2ccccc2)[C@H](C)C2CC2)[n-]1 ZINC000432675877 500546983 /nfs/dbraw/zinc/54/69/83/500546983.db2.gz MSNGJDLLQMGVCF-CYBMUJFWSA-N -1 3 373.478 3.116 20 0 FGADHM COC(=O)[C@H](CNC(=O)Nc1ccc(C)cc1C)Cc1ccc([O-])c(F)c1 ZINC000421040779 500562120 /nfs/dbraw/zinc/56/21/20/500562120.db2.gz XMJVBGPRMDXGPK-HNNXBMFYSA-N -1 3 374.412 3.302 20 0 FGADHM CCOC(=O)c1nnc(-c2cccc(CNCc3ccc(CC)o3)c2)[n-]1 ZINC000570604279 506203630 /nfs/dbraw/zinc/20/36/30/506203630.db2.gz GGXSNBPULGFDFW-UHFFFAOYSA-N -1 3 354.410 3.094 20 0 FGADHM 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NCWKPPZGAAOLCY-UHFFFAOYSA-N -1 3 362.798 3.226 20 0 FGADHM CCCCOc1ccc(C(=O)NCc2cccc(C(=O)NCC)c2)c([O-])c1 ZINC000436974194 500583415 /nfs/dbraw/zinc/58/34/15/500583415.db2.gz XGPUSLJMQUTNNB-UHFFFAOYSA-N -1 3 370.449 3.251 20 0 FGADHM CCCCOc1ccc(C(=O)NCc2cccnc2-n2cccn2)c([O-])c1 ZINC000436973286 500583677 /nfs/dbraw/zinc/58/36/77/500583677.db2.gz SPOTUXVTTBFCMU-UHFFFAOYSA-N -1 3 366.421 3.082 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N2CC[C@@H](c3ccccc3)[C@H]2C)c([O-])c1 ZINC000436974950 500584438 /nfs/dbraw/zinc/58/44/38/500584438.db2.gz DRCGYUMWNZSNJE-SJLPKXTDSA-N -1 3 366.461 3.225 20 0 FGADHM CC[C@H]1CCC[C@@H]1NC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000436975388 500584664 /nfs/dbraw/zinc/58/46/64/500584664.db2.gz KBWRTJZFNIJFAN-LRDDRELGSA-N -1 3 357.410 3.249 20 0 FGADHM CCCC[C@H]([N-]S(=O)(=O)c1c(C)csc1C(=O)OC)C1CCC1 ZINC000442735674 500616940 /nfs/dbraw/zinc/61/69/40/500616940.db2.gz ACWQHAOLKUXEDT-ZDUSSCGKSA-N -1 3 359.513 3.480 20 0 FGADHM Cc1csc([C@@H]([N-]S(=O)(=O)c2cnc3ccsc3c2)C2CC2)n1 ZINC000437248555 500620446 /nfs/dbraw/zinc/62/04/46/500620446.db2.gz RVUBDGFOWPNRFR-AWEZNQCLSA-N -1 3 365.505 3.491 20 0 FGADHM O=S(=O)([N-]CC1(Cc2ccccc2)CC1)c1cnccc1C(F)(F)F ZINC000442769774 500623807 /nfs/dbraw/zinc/62/38/07/500623807.db2.gz NZPDLXBWWUTNSI-UHFFFAOYSA-N -1 3 370.396 3.402 20 0 FGADHM Cc1cc(F)ccc1CC[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000442776553 500624461 /nfs/dbraw/zinc/62/44/61/500624461.db2.gz YTSNGKLSJGMMCQ-UHFFFAOYSA-N -1 3 362.348 3.069 20 0 FGADHM O=S(=O)([N-][C@H]1CCOc2c(F)cccc21)c1cc(F)c(F)c(F)c1 ZINC000442799135 500626552 /nfs/dbraw/zinc/62/65/52/500626552.db2.gz YVSCBFLTUHQBBN-ZDUSSCGKSA-N -1 3 361.316 3.045 20 0 FGADHM CO[C@@H](C)c1nc(C[N-]S(=O)(=O)c2ccc(C)cc2Cl)cs1 ZINC000437335799 500632631 /nfs/dbraw/zinc/63/26/31/500632631.db2.gz WWIDMBFCAONHKD-JTQLQIEISA-N -1 3 360.888 3.291 20 0 FGADHM O=C(NCc1cccnn1)c1c[n-]c2ccc(Oc3ccccc3)cc2c1=O ZINC000447624596 500635492 /nfs/dbraw/zinc/63/54/92/500635492.db2.gz PGYOLXJUWAQAOP-UHFFFAOYSA-N -1 3 372.384 3.040 20 0 FGADHM O=C(N[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1)c1c[n-]c2ccccc2c1=O ZINC000437367128 500636921 /nfs/dbraw/zinc/63/69/21/500636921.db2.gz ZXXUTGSIWJFBOY-MEDUHNTESA-N -1 3 358.319 3.231 20 0 FGADHM COc1ccc2c(c1)[n-]cc(C(=O)N(C)Cc1ccc(F)c(C)c1)c2=O ZINC000447633650 500637493 /nfs/dbraw/zinc/63/74/93/500637493.db2.gz DEVMHYDSWOHODC-UHFFFAOYSA-N -1 3 354.381 3.256 20 0 FGADHM C[C@@H](NC(=O)CC(C)(C)C)C(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000442921158 500647238 /nfs/dbraw/zinc/64/72/38/500647238.db2.gz JCWMTTNPYJQDKC-SECBINFHSA-N -1 3 362.348 3.170 20 0 FGADHM CCC(=O)N1CCCC[C@H]1C(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000442922869 500647692 /nfs/dbraw/zinc/64/76/92/500647692.db2.gz LGJMGIYBTWBOPN-LBPRGKRZSA-N -1 3 360.332 3.020 20 0 FGADHM COc1cccc(OCC(=O)Nc2ccc(OC(F)(F)F)cc2[O-])c1 ZINC000442928282 500647984 /nfs/dbraw/zinc/64/79/84/500647984.db2.gz CRUNTQAAZRPXKU-UHFFFAOYSA-N -1 3 357.284 3.317 20 0 FGADHM Cc1nn(C)c(C)c1C[C@@H](C)C(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000442935098 500649527 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Cc1cscc1-c1noc(-c2ccc(F)c([N-]S(C)(=O)=O)c2)n1 ZINC000445630873 501014095 /nfs/dbraw/zinc/01/40/95/501014095.db2.gz BMVBYVXCJUDUKB-UHFFFAOYSA-N -1 3 353.400 3.284 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)c2ccc(C)c(F)c2)c1-c1ccc2c(c1)OCCO2 ZINC000435708652 501015257 /nfs/dbraw/zinc/01/52/57/501015257.db2.gz KMKZXYHHTHAWRI-UHFFFAOYSA-N -1 3 367.380 3.278 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)c2cc(C)cc(F)c2)c1-c1ccc2c(c1)OCCO2 ZINC000435712636 501015713 /nfs/dbraw/zinc/01/57/13/501015713.db2.gz DSHYPHQSPRPOFR-UHFFFAOYSA-N -1 3 367.380 3.278 20 0 FGADHM CCc1noc2ncc(S(=O)(=O)[N-][C@H](CC(F)(F)F)C(C)C)cc12 ZINC000445696235 501020557 /nfs/dbraw/zinc/02/05/57/501020557.db2.gz DXTMFEFDAJOSCJ-GFCCVEGCSA-N -1 3 365.377 3.041 20 0 FGADHM Cc1noc(C)c1C(C)(C)C(=O)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1 ZINC000435766483 501025219 /nfs/dbraw/zinc/02/52/19/501025219.db2.gz YCIWONCRNUTHEL-UHFFFAOYSA-N -1 3 360.364 3.298 20 0 FGADHM CC1(C)CCC[C@@](O)(C[N-]S(=O)(=O)Cc2cc(Cl)ccc2F)C1 ZINC000445759742 501029267 /nfs/dbraw/zinc/02/92/67/501029267.db2.gz URKPYUZKFFATMR-INIZCTEOSA-N -1 3 363.882 3.230 20 0 FGADHM Cc1cccc(-c2nc(-c3cnc(OCC(F)(F)F)cn3)no2)c1[O-] ZINC000445773508 501030388 /nfs/dbraw/zinc/03/03/88/501030388.db2.gz KXAOYHOXCLNPCC-UHFFFAOYSA-N -1 3 352.272 3.149 20 0 FGADHM CC(C)Oc1c(F)cc(-n2c([O-])c(CC(F)(F)F)[nH]c2=O)cc1F ZINC000445933373 501052637 /nfs/dbraw/zinc/05/26/37/501052637.db2.gz VIACHYPBOKLRGG-SNVBAGLBSA-N -1 3 352.259 3.129 20 0 FGADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)N[C@@H]1C[C@@]1(C)c1ccccc1 ZINC000607704140 506233252 /nfs/dbraw/zinc/23/32/52/506233252.db2.gz GOTMBGCVRUCSGM-IERDGZPVSA-N -1 3 362.433 3.011 20 0 FGADHM COC(=O)c1cc(C(C)(C)C)sc1[N-]C(=O)c1noc2c1COCC2 ZINC000598934925 506233740 /nfs/dbraw/zinc/23/37/40/506233740.db2.gz WDZDUKMSVWXELM-UHFFFAOYSA-N -1 3 364.423 3.145 20 0 FGADHM CCCNC(=O)c1cccc(NC(=O)c2ccc3nc(OCC)[n-]c3c2)c1 ZINC000449809031 501093256 /nfs/dbraw/zinc/09/32/56/501093256.db2.gz AGGDLFNWAFJPNX-UHFFFAOYSA-N -1 3 366.421 3.354 20 0 FGADHM CCCNC(=O)c1cccc(NC(=O)c2ccc3[n-]c(OCC)nc3c2)c1 ZINC000449809031 501093260 /nfs/dbraw/zinc/09/32/60/501093260.db2.gz AGGDLFNWAFJPNX-UHFFFAOYSA-N -1 3 366.421 3.354 20 0 FGADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)c2c[nH]nc2C(C)(C)C)[nH][n-]1 ZINC000449837761 501102688 /nfs/dbraw/zinc/10/26/88/501102688.db2.gz BQNSRRQYBBIYHD-UHFFFAOYSA-N -1 3 373.844 3.434 20 0 FGADHM C[C@H](CS(=O)(=O)[N-]c1ccc(-c2nc[nH]n2)cc1F)c1ccccc1 ZINC000436473796 501134002 /nfs/dbraw/zinc/13/40/02/501134002.db2.gz CFUHAPJSFLKLRL-GFCCVEGCSA-N -1 3 360.414 3.156 20 0 FGADHM CCOc1nc2cc(C(=O)N3CCC(Cn4cc(C)cn4)CC3)ccc2[n-]1 ZINC000449973612 501141478 /nfs/dbraw/zinc/14/14/78/501141478.db2.gz RORMHMSOYLOULZ-UHFFFAOYSA-N -1 3 367.453 3.019 20 0 FGADHM CCOc1nc2ccc(C(=O)N3CCC(Cn4cc(C)cn4)CC3)cc2[n-]1 ZINC000449973612 501141482 /nfs/dbraw/zinc/14/14/82/501141482.db2.gz RORMHMSOYLOULZ-UHFFFAOYSA-N -1 3 367.453 3.019 20 0 FGADHM Cn1nc(C(=O)Nc2ccc(C(C)(C)C)cc2[O-])c(=O)c2ccccc21 ZINC000436508205 501142904 /nfs/dbraw/zinc/14/29/04/501142904.db2.gz CLOLXVRADUFPAA-UHFFFAOYSA-N -1 3 351.406 3.189 20 0 FGADHM COC(=O)[C@H](C)CN(C(=O)c1cc(Cc2ccccc2)ccc1[O-])C1CC1 ZINC000436534006 501150253 /nfs/dbraw/zinc/15/02/53/501150253.db2.gz JFKSMWTYLAMASZ-OAHLLOKOSA-N -1 3 367.445 3.397 20 0 FGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)c2ccc(C)c3c2CCC3)c1 ZINC000450000925 501151004 /nfs/dbraw/zinc/15/10/04/501151004.db2.gz AVFWEMGOKDTMHR-UHFFFAOYSA-N -1 3 358.463 3.416 20 0 FGADHM COc1ccc(C(=O)NCc2cccc(COC3CCOCC3)c2)c([O-])c1 ZINC000436549599 501154454 /nfs/dbraw/zinc/15/44/54/501154454.db2.gz GQGQRJUZLBSHPF-UHFFFAOYSA-N -1 3 371.433 3.026 20 0 FGADHM CCCN(C[C@H]1COc2ccccc2O1)C(=O)c1cc(OC)ccc1[O-] ZINC000436551230 501155196 /nfs/dbraw/zinc/15/51/96/501155196.db2.gz XPDVNLQFNIZOSW-HNNXBMFYSA-N -1 3 357.406 3.093 20 0 FGADHM Cc1ccc(C(=O)Nc2ccc(C(N)=O)c(N3CCCCC3)c2)c([O-])c1C ZINC000436551173 501155200 /nfs/dbraw/zinc/15/52/00/501155200.db2.gz MIAVMPXDIUWZIL-UHFFFAOYSA-N -1 3 367.449 3.351 20 0 FGADHM Cc1ccc(C(=O)N[C@H]2CCN(c3ccccc3Cl)C2=O)c([O-])c1C ZINC000436553096 501155412 /nfs/dbraw/zinc/15/54/12/501155412.db2.gz GLMLJBMKBHGOPT-HNNXBMFYSA-N -1 3 358.825 3.198 20 0 FGADHM CCOc1nc2ccc(C(=O)Nc3ncn(C4CCCCC4)n3)cc2[n-]1 ZINC000450567509 501156400 /nfs/dbraw/zinc/15/64/00/501156400.db2.gz YOMOJMOVDCQSJL-UHFFFAOYSA-N -1 3 354.414 3.311 20 0 FGADHM CCOc1nc2cc(C(=O)Nc3ncn(C4CCCCC4)n3)ccc2[n-]1 ZINC000450567509 501156403 /nfs/dbraw/zinc/15/64/03/501156403.db2.gz YOMOJMOVDCQSJL-UHFFFAOYSA-N -1 3 354.414 3.311 20 0 FGADHM Cc1cc(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)cc(OCCO)c1 ZINC000446724063 501157690 /nfs/dbraw/zinc/15/76/90/501157690.db2.gz YCHLXGWJYOTCLJ-UHFFFAOYSA-N -1 3 357.406 3.038 20 0 FGADHM COC(=O)[C@@H](NC(=O)c1ccc(C(C)C)cc1[O-])c1ccc(OC)cc1 ZINC000436563804 501157696 /nfs/dbraw/zinc/15/76/96/501157696.db2.gz FAKDLOZKUIVBAO-SFHVURJKSA-N -1 3 357.406 3.168 20 0 FGADHM O=C(NC[C@@H]1CCC[C@H](O)C1)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436564523 501158198 /nfs/dbraw/zinc/15/81/98/501158198.db2.gz PFIJHIPZTDLOEW-MOPGFXCFSA-N -1 3 353.462 3.458 20 0 FGADHM CC[C@@H](NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2)c1c(C)nn(C)c1C ZINC000436575159 501160662 /nfs/dbraw/zinc/16/06/62/501160662.db2.gz MZHFLPAYDQJUIL-OAHLLOKOSA-N -1 3 357.454 3.337 20 0 FGADHM Cc1ccc(CNC(=O)c2cccc(C)c2[O-])c(OC[C@@H]2CCOC2)c1 ZINC000436581693 501162104 /nfs/dbraw/zinc/16/21/04/501162104.db2.gz BKYZOUYTIZCWHL-MRXNPFEDSA-N -1 3 355.434 3.354 20 0 FGADHM CC(C)c1ccc(C(=O)NCCCN2C(=O)COc3ccccc32)c([O-])c1 ZINC000436586424 501164100 /nfs/dbraw/zinc/16/41/00/501164100.db2.gz BPCSCTZXIFMFRV-UHFFFAOYSA-N -1 3 368.433 3.061 20 0 FGADHM CC[C@H]1Oc2cc([C@@H](C)NC(=O)c3cc(OC)ccc3[O-])ccc2NC1=O ZINC000436591872 501165318 /nfs/dbraw/zinc/16/53/18/501165318.db2.gz YPAZGMQRAPZAPW-PIGZYNQJSA-N -1 3 370.405 3.001 20 0 FGADHM O=C(NCCNC(=O)c1cc(Cc2ccccc2)ccc1[O-])c1ccccc1 ZINC000436596534 501165876 /nfs/dbraw/zinc/16/58/76/501165876.db2.gz QUSPGTZALKMWJV-UHFFFAOYSA-N -1 3 374.440 3.143 20 0 FGADHM COc1c(CNC(=O)c2cc(Oc3ccccc3)ccc2[O-])c(C)nn1C ZINC000436598579 501166573 /nfs/dbraw/zinc/16/65/73/501166573.db2.gz AQXLNWQKWBNRRL-UHFFFAOYSA-N -1 3 367.405 3.165 20 0 FGADHM CC1(C)Cc2ccc(C(=O)N[C@@H](CCCO)c3ccccc3)c([O-])c2O1 ZINC000436599829 501167019 /nfs/dbraw/zinc/16/70/19/501167019.db2.gz ZDJVRHBYPHIKCD-KRWDZBQOSA-N -1 3 355.434 3.349 20 0 FGADHM C[C@H]1C[C@@H](NC(=O)c2cc(Br)cc(Cl)c2[O-])CN1C1CC1 ZINC000441786540 501171689 /nfs/dbraw/zinc/17/16/89/501171689.db2.gz JUMMSNDQSHMMAU-WCBMZHEXSA-N -1 3 373.678 3.163 20 0 FGADHM COCCO[C@@H]1CCCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000436646039 501178065 /nfs/dbraw/zinc/17/80/65/501178065.db2.gz DVJHNDOCAOTKNE-LJQANCHMSA-N -1 3 369.461 3.251 20 0 FGADHM COc1cccc(C(=O)N2CCc3ccc(Br)cc3C2)c1[O-] ZINC000436656568 501180326 /nfs/dbraw/zinc/18/03/26/501180326.db2.gz QQKRJSCZNULNPP-UHFFFAOYSA-N -1 3 362.223 3.362 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)Nc2cccc3ccc(C)nc32)c([O-])c1 ZINC000436660852 501181613 /nfs/dbraw/zinc/18/16/13/501181613.db2.gz BJCSGHLCDRNUEW-UHFFFAOYSA-N -1 3 363.417 3.316 20 0 FGADHM CC(=O)c1ccc(C(=O)Nc2cnn(-c3ccccc3F)c2C)cc1[O-] ZINC000436667807 501183217 /nfs/dbraw/zinc/18/32/17/501183217.db2.gz VQPUDARHEPYMJR-UHFFFAOYSA-N -1 3 353.353 3.480 20 0 FGADHM CO[C@H](CN1CCN(C(=O)c2ccc([O-])cc2)CC1)c1ccc(Cl)cc1 ZINC000436672358 501185058 /nfs/dbraw/zinc/18/50/58/501185058.db2.gz NIDFCCSASUTZBB-LJQANCHMSA-N -1 3 374.868 3.191 20 0 FGADHM CCc1cccc(NC(=O)CNC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)c1 ZINC000436682014 501186792 /nfs/dbraw/zinc/18/67/92/501186792.db2.gz OQFSJXCFFMCIQE-UHFFFAOYSA-N -1 3 368.433 3.037 20 0 FGADHM CN(C)[C@H](CNC(=O)c1ccc2c(c1[O-])OC(C)(C)C2)c1ccc(F)cc1 ZINC000436684286 501187858 /nfs/dbraw/zinc/18/78/58/501187858.db2.gz ZWZUXEPWJLTZCJ-QGZVFWFLSA-N -1 3 372.440 3.278 20 0 FGADHM COC(=O)c1ccsc1[N-]C(=O)C(=O)N(C)[C@@H](C)c1cc(C)ccc1C ZINC000441996506 501189830 /nfs/dbraw/zinc/18/98/30/501189830.db2.gz CRHWVMDCZBOEBZ-ZDUSSCGKSA-N -1 3 374.462 3.310 20 0 FGADHM Cc1ccc(NC(=O)C(=O)N=c2cc(-c3ccccc3C)[n-][nH]2)cc1Cl ZINC000436690592 501189896 /nfs/dbraw/zinc/18/98/96/501189896.db2.gz HQVRWQRWLPTGOR-UHFFFAOYSA-N -1 3 368.824 3.346 20 0 FGADHM O=C(c1ccccc1[O-])N1CCN(Cc2ccccc2C(F)(F)F)CC1 ZINC000436697895 501190402 /nfs/dbraw/zinc/19/04/02/501190402.db2.gz VUSJCPMNSNGCOO-UHFFFAOYSA-N -1 3 364.367 3.369 20 0 FGADHM Cc1ccc([O-])c(C(=O)N[C@@H]2CCCN([C@H](C)c3ccc(F)cc3)C2=O)c1 ZINC000436699098 501191741 /nfs/dbraw/zinc/19/17/41/501191741.db2.gz QCRILORIDXQZPY-RDTXWAMCSA-N -1 3 370.424 3.322 20 0 FGADHM COc1cc(C)cc(C(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)c1[O-] ZINC000436705088 501192115 /nfs/dbraw/zinc/19/21/15/501192115.db2.gz JHKPIIJVZKIEDV-UHFFFAOYSA-N -1 3 369.826 3.018 20 0 FGADHM Cn1cnc(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)n1 ZINC000436705304 501192354 /nfs/dbraw/zinc/19/23/54/501192354.db2.gz MMHGJHPWHZLGDG-UHFFFAOYSA-N -1 3 351.391 3.050 20 0 FGADHM CC1(C)Cc2ccc(C(=O)N3C[C@@H](C(F)(F)F)OC(C)(C)C3)c([O-])c2O1 ZINC000436706215 501193068 /nfs/dbraw/zinc/19/30/68/501193068.db2.gz LVOBDBJDLRMMPH-LBPRGKRZSA-N -1 3 373.371 3.288 20 0 FGADHM Cc1ccc(C(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)c([O-])c1C ZINC000436709834 501193891 /nfs/dbraw/zinc/19/38/91/501193891.db2.gz WQQSAIDXWSXYFQ-UHFFFAOYSA-N -1 3 353.827 3.318 20 0 FGADHM Cc1cc(Cl)ccc1CN1CCN(C(=O)c2c([O-])cccc2O)CC1 ZINC000436711052 501194008 /nfs/dbraw/zinc/19/40/08/501194008.db2.gz CLZVPQIFTBHGJC-UHFFFAOYSA-N -1 3 360.841 3.018 20 0 FGADHM C[C@@H](COc1ccccc1C(F)(F)F)NC(=O)c1ccc(O)cc1[O-] ZINC000436711849 501194120 /nfs/dbraw/zinc/19/41/20/501194120.db2.gz LHBHZBUNRZVTCZ-JTQLQIEISA-N -1 3 355.312 3.314 20 0 FGADHM COC(=O)c1c(CC(C)C)csc1[N-]C(=O)C(=O)N1[C@H](C)CC[C@H]1C ZINC000442064535 501194723 /nfs/dbraw/zinc/19/47/23/501194723.db2.gz TWLGHSYHIGPMFM-VXGBXAGGSA-N -1 3 366.483 3.071 20 0 FGADHM Cn1ccnc1[C@@H](NC(=O)c1ccc(O)cc1[O-])c1ccc(Cl)cc1 ZINC000436715348 501195693 /nfs/dbraw/zinc/19/56/93/501195693.db2.gz KTRZLWAJLMMWDF-INIZCTEOSA-N -1 3 357.797 3.004 20 0 FGADHM Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000436721883 501197351 /nfs/dbraw/zinc/19/73/51/501197351.db2.gz LLFFRBIHSHAVMJ-WBVHZDCISA-N -1 3 366.461 3.228 20 0 FGADHM O=C(CCNC(=O)c1cc(Cc2ccccc2)ccc1[O-])N1CCCCC1 ZINC000436736137 501200816 /nfs/dbraw/zinc/20/08/16/501200816.db2.gz IHEVVTWBJYSASX-UHFFFAOYSA-N -1 3 366.461 3.115 20 0 FGADHM CCC(=O)Nc1ccc(C)c(NC(=O)c2cc(OC)c([O-])c(OC)c2)c1 ZINC000436735846 501200875 /nfs/dbraw/zinc/20/08/75/501200875.db2.gz DPJIXQKAWNNIIM-UHFFFAOYSA-N -1 3 358.394 3.319 20 0 FGADHM CCC[C@H](C)[C@H]1CCCN1C(=O)C(=O)[N-]c1sccc1C(=O)OCC ZINC000442168433 501203535 /nfs/dbraw/zinc/20/35/35/501203535.db2.gz QJKCXUGUCXZYFL-GXTWGEPZSA-N -1 3 366.483 3.291 20 0 FGADHM O=C(NCCOCC(F)(F)F)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436754689 501205014 /nfs/dbraw/zinc/20/50/14/501205014.db2.gz JRQKWOYOBNNJIX-UHFFFAOYSA-N -1 3 355.312 3.493 20 0 FGADHM [O-]c1ccc(-c2noc(-c3cn(-c4ccc(C(F)(F)F)cn4)nn3)n2)cc1 ZINC000436770859 501208720 /nfs/dbraw/zinc/20/87/20/501208720.db2.gz VGMRTNPUIBVZRT-UHFFFAOYSA-N -1 3 374.282 3.104 20 0 FGADHM O=c1c(Cl)cc(C(F)(F)F)cn1Cc1noc(-c2ccccc2[O-])n1 ZINC000436776834 501209829 /nfs/dbraw/zinc/20/98/29/501209829.db2.gz KQLNWIJSDXSFRM-UHFFFAOYSA-N -1 3 371.702 3.324 20 0 FGADHM CC(C)NC(=O)NCc1ccc(-c2nc(-c3ccc([O-])cc3)no2)cc1 ZINC000436778792 501209948 /nfs/dbraw/zinc/20/99/48/501209948.db2.gz SYOCZZZIIPLBFG-UHFFFAOYSA-N -1 3 352.394 3.317 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](c2nc3ccccc3[nH]2)C(C)C)c1 ZINC000436779944 501209968 /nfs/dbraw/zinc/20/99/68/501209968.db2.gz BDHUWKHIOFKVFV-SFHVURJKSA-N -1 3 366.421 3.354 20 0 FGADHM COc1cc(-c2noc(-c3cccc(NC(=O)C4CC4)c3)n2)ccc1[O-] ZINC000436783833 501210791 /nfs/dbraw/zinc/21/07/91/501210791.db2.gz IVCOPKQMDNDIJT-UHFFFAOYSA-N -1 3 351.362 3.466 20 0 FGADHM O=C(NCc1ccc(OCCOc2ccccc2)nc1)c1ccccc1[O-] ZINC000436781613 501210883 /nfs/dbraw/zinc/21/08/83/501210883.db2.gz DOTMJWYWRUGUHL-UHFFFAOYSA-N -1 3 364.401 3.175 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(NCCc3cc(C)ccc3F)nc2)n1 ZINC000450805671 501211865 /nfs/dbraw/zinc/21/18/65/501211865.db2.gz CWVXHBFQFDPUJG-UHFFFAOYSA-N -1 3 352.413 3.331 20 0 FGADHM C[C@H]1C[C@@H]1N1CCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C[C@@H](C)C1 ZINC000436790641 501212029 /nfs/dbraw/zinc/21/20/29/501212029.db2.gz HDJFSDNWNSFPAX-HUBLWGQQSA-N -1 3 356.388 3.213 20 0 FGADHM CCOC(=O)Cn1ccc2cc(NC(=O)c3cccc(OC)c3[O-])ccc21 ZINC000436789507 501212299 /nfs/dbraw/zinc/21/22/99/501212299.db2.gz DIFLPCZHCSAVNH-UHFFFAOYSA-N -1 3 368.389 3.171 20 0 FGADHM O=C(c1ccc2c(c1[O-])CCCC2)N1CCC[C@H](Oc2ncccc2F)C1 ZINC000436807125 501214368 /nfs/dbraw/zinc/21/43/68/501214368.db2.gz HSSCCFLCLPRTCN-HNNXBMFYSA-N -1 3 370.424 3.489 20 0 FGADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CCC[C@@H](Oc2ncccc2F)C1 ZINC000436810374 501214741 /nfs/dbraw/zinc/21/47/41/501214741.db2.gz RHKZMKMBPXDHIG-MRXNPFEDSA-N -1 3 370.424 3.489 20 0 FGADHM COCCOc1cc(C(=O)Nc2cc(F)ccc2[O-])nc2ccccc21 ZINC000436811846 501215171 /nfs/dbraw/zinc/21/51/71/501215171.db2.gz KWFSTBIFIRJOFO-UHFFFAOYSA-N -1 3 356.353 3.357 20 0 FGADHM CC1(C)Cc2ccc(C(=O)Nc3cccc(F)c3-c3nc[nH]n3)c([O-])c2O1 ZINC000436813131 501215228 /nfs/dbraw/zinc/21/52/28/501215228.db2.gz GZTVCUCSWKZCEO-UHFFFAOYSA-N -1 3 368.368 3.282 20 0 FGADHM Cc1ccnc(-c2n[nH]c([C@H](C)NC(=O)c3ccc(C(C)C)cc3[O-])n2)c1 ZINC000436833985 501218430 /nfs/dbraw/zinc/21/84/30/501218430.db2.gz KXBOEPPPKRSFJR-ZDUSSCGKSA-N -1 3 365.437 3.495 20 0 FGADHM C[C@H](Oc1ccc2ccccc2c1)C(=O)N=c1cc(OC(F)F)n(C)[n-]1 ZINC000436844487 501220209 /nfs/dbraw/zinc/22/02/09/501220209.db2.gz NVFSODGCIUOTSC-NSHDSACASA-N -1 3 361.348 3.003 20 0 FGADHM O=C(Nc1nnc(Cc2ccc(Cl)cc2)s1)c1c([O-])cccc1O ZINC000436859015 501222297 /nfs/dbraw/zinc/22/22/97/501222297.db2.gz WOIYWAJTCGPTGI-UHFFFAOYSA-N -1 3 361.810 3.446 20 0 FGADHM Cc1cc([O-])c(C(C)C)cc1C(=O)N=c1ccn(CCc2ccncc2)[nH]1 ZINC000436862685 501223388 /nfs/dbraw/zinc/22/33/88/501223388.db2.gz GAZMVWZIEFNHSL-UHFFFAOYSA-N -1 3 364.449 3.332 20 0 FGADHM O=C(N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1)c1ccc(O)cc1[O-] ZINC000436865465 501224009 /nfs/dbraw/zinc/22/40/09/501224009.db2.gz UHSMQBATKPOUPO-SMDDNHRTSA-N -1 3 366.186 3.285 20 0 FGADHM CCCCO[C@@H]1C[C@@H](N(C)C(=O)c2cc(OC)c([O-])c(OC)c2)C1(C)C ZINC000436868851 501224292 /nfs/dbraw/zinc/22/42/92/501224292.db2.gz KTYDCFMBEZMEHT-IAGOWNOFSA-N -1 3 365.470 3.465 20 0 FGADHM Cn1c(CCNC(=O)c2cc3c(cc2[O-])CCCC3)nc2cc(F)ccc21 ZINC000436869552 501224635 /nfs/dbraw/zinc/22/46/35/501224635.db2.gz BELFQFVIKCCTQZ-UHFFFAOYSA-N -1 3 367.424 3.269 20 0 FGADHM COc1ccc([C@H](CN2CCCC2)NC(=O)c2c([O-])cccc2F)cc1 ZINC000436892438 501228733 /nfs/dbraw/zinc/22/87/33/501228733.db2.gz LVKRGZCFDPHMOF-KRWDZBQOSA-N -1 3 358.413 3.107 20 0 FGADHM Cc1ccc(-c2nnc([C@@H](C)N3CCC(c4n[n-]c(=O)o4)CC3)o2)cc1 ZINC000450915971 501229561 /nfs/dbraw/zinc/22/95/61/501229561.db2.gz RVDMICPJLHKPGD-GFCCVEGCSA-N -1 3 355.398 3.074 20 0 FGADHM COc1ccc([O-])c(-c2nc(-c3cccc(N4CCCC4=O)c3)no2)c1 ZINC000436901411 501229573 /nfs/dbraw/zinc/22/95/73/501229573.db2.gz MKCVCRBFRIJUHE-UHFFFAOYSA-N -1 3 351.362 3.245 20 0 FGADHM COc1cccc(C(=O)N[C@@H](C)c2ccc(Br)cn2)c1[O-] ZINC000436905779 501230309 /nfs/dbraw/zinc/23/03/09/501230309.db2.gz UPYLOMYQUHPCOQ-VIFPVBQESA-N -1 3 351.200 3.049 20 0 FGADHM Cc1ccc(C(=O)N[C@@H]2CCCN([C@@H](C)c3ccccc3F)C2=O)c([O-])c1 ZINC000436904310 501230409 /nfs/dbraw/zinc/23/04/09/501230409.db2.gz YOPMUUYUBUBUDL-KBXCAEBGSA-N -1 3 370.424 3.322 20 0 FGADHM COCCOc1c(Cl)cccc1NC(=O)c1cccc(OC)c1[O-] ZINC000436910662 501231458 /nfs/dbraw/zinc/23/14/58/501231458.db2.gz QWFFFGDILXRXTH-UHFFFAOYSA-N -1 3 351.786 3.332 20 0 FGADHM Cc1cccc(C(=O)N[C@@H](CO)c2ccccc2OC(F)(F)F)c1[O-] ZINC000436913732 501232040 /nfs/dbraw/zinc/23/20/40/501232040.db2.gz JQYQINXWSWIKGS-ZDUSSCGKSA-N -1 3 355.312 3.063 20 0 FGADHM CN(C)[C@H](C[N-]S(=O)(=O)c1cc2cc(F)ccc2o1)c1cccs1 ZINC000450982540 501236779 /nfs/dbraw/zinc/23/67/79/501236779.db2.gz ULBIUPQIEHFHAW-CYBMUJFWSA-N -1 3 368.455 3.215 20 0 FGADHM CCOC(=O)c1cc(S(=O)(=O)[N-]c2cc(C)c(C)cc2Cl)cn1C ZINC000451086860 501244537 /nfs/dbraw/zinc/24/45/37/501244537.db2.gz VWDYEXZXOWETPR-UHFFFAOYSA-N -1 3 370.858 3.273 20 0 FGADHM CCCCN(C)S(=O)(=O)[N-]c1cccc2c(Br)ccnc12 ZINC000451103705 501246051 /nfs/dbraw/zinc/24/60/51/501246051.db2.gz CMNWFDRPAXKHEO-UHFFFAOYSA-N -1 3 372.288 3.386 20 0 FGADHM CCOc1ccncc1S(=O)(=O)[N-]CCCCCOC1CCCCC1 ZINC000451179509 501250452 /nfs/dbraw/zinc/25/04/52/501250452.db2.gz AWCUGHGVKGOFAS-UHFFFAOYSA-N -1 3 370.515 3.278 20 0 FGADHM CC(C)CC[C@@](C)(O)C[N-]S(=O)(=O)Cc1c(F)cccc1Cl ZINC000451229744 501253643 /nfs/dbraw/zinc/25/36/43/501253643.db2.gz ADFYGZYQQBQXJH-OAHLLOKOSA-N -1 3 351.871 3.086 20 0 FGADHM CCOc1ccncc1S(=O)(=O)[N-][C@H](CC)c1cc(F)ccc1F ZINC000451238937 501254120 /nfs/dbraw/zinc/25/41/20/501254120.db2.gz VKGIVGKNQITGNN-CQSZACIVSA-N -1 3 356.394 3.188 20 0 FGADHM CCOC[C@@H](C)CS(=O)(=O)[N-][C@H](CC)c1nc(C(F)(F)F)cs1 ZINC000451268404 501256355 /nfs/dbraw/zinc/25/63/55/501256355.db2.gz DNRFMENDKPJHCG-NXEZZACHSA-N -1 3 374.450 3.205 20 0 FGADHM Cc1ccsc1[C@H](CO)[N-]S(=O)(=O)Cc1c(F)cccc1Cl ZINC000451285774 501257589 /nfs/dbraw/zinc/25/75/89/501257589.db2.gz MNTJWKPFFIIEIV-ZDUSSCGKSA-N -1 3 363.863 3.002 20 0 FGADHM CCOc1ccncc1S(=O)(=O)[N-]C1(c2ccc(F)cc2F)CCC1 ZINC000451360829 501275052 /nfs/dbraw/zinc/27/50/52/501275052.db2.gz YORUKLCWLVAECY-UHFFFAOYSA-N -1 3 368.405 3.116 20 0 FGADHM CC[C@H](NCC[N-]S(=O)(=O)c1ccc(F)cc1F)c1ccsc1 ZINC000453209407 501291905 /nfs/dbraw/zinc/29/19/05/501291905.db2.gz IGXCWOVDLNMDJQ-AWEZNQCLSA-N -1 3 360.451 3.046 20 0 FGADHM COCCC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(C)cs1 ZINC000451485374 501304129 /nfs/dbraw/zinc/30/41/29/501304129.db2.gz CQQMGWVPASPAEN-MRXNPFEDSA-N -1 3 353.509 3.373 20 0 FGADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)[C@]3(C)CCC[C@@H]3C)c2)[n-]1 ZINC000451493985 501305665 /nfs/dbraw/zinc/30/56/65/501305665.db2.gz QRGAFUCDUOEXQG-RNODOKPDSA-N -1 3 370.453 3.091 20 0 FGADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)[C@]3(C)CCC[C@@H]3C)c2)n[n-]1 ZINC000451493985 501305668 /nfs/dbraw/zinc/30/56/68/501305668.db2.gz QRGAFUCDUOEXQG-RNODOKPDSA-N -1 3 370.453 3.091 20 0 FGADHM CC[C@@](C)(C[N-]S(=O)(=O)c1cccc(Br)c1Cl)OC ZINC000451796314 501373840 /nfs/dbraw/zinc/37/38/40/501373840.db2.gz LGICSDZJWSXMQK-LBPRGKRZSA-N -1 3 370.696 3.196 20 0 FGADHM CC1(F)CC([N-]S(=O)(=O)c2ccc(Br)cc2Cl)C1 ZINC000451628410 501339508 /nfs/dbraw/zinc/33/95/08/501339508.db2.gz FIHUILIXNASBBI-UHFFFAOYSA-N -1 3 356.644 3.271 20 0 FGADHM COCCCOc1ccc(NC(=O)Cc2ccc([O-])c(F)c2)cc1OC ZINC000451682256 501349706 /nfs/dbraw/zinc/34/97/06/501349706.db2.gz ONXCVMYLUSFXFK-UHFFFAOYSA-N -1 3 363.385 3.136 20 0 FGADHM CC[C@@H]([N-]S(=O)(=O)c1csc2ccc(Cl)cc21)[C@H](O)C(F)F ZINC000451706358 501356970 /nfs/dbraw/zinc/35/69/70/501356970.db2.gz GDTVXZBHOLQJBI-SKDRFNHKSA-N -1 3 369.842 3.238 20 0 FGADHM CSCC1CCC([N-]S(=O)(=O)c2cccnc2C(F)(F)F)CC1 ZINC000451741637 501364226 /nfs/dbraw/zinc/36/42/26/501364226.db2.gz OPHGNRRLMIBADC-UHFFFAOYSA-N -1 3 368.446 3.301 20 0 FGADHM CCCc1ccc(Cl)c(S(=O)(=O)[N-]CC2(CF)CCOCC2)c1 ZINC000451816299 501378798 /nfs/dbraw/zinc/37/87/98/501378798.db2.gz JGZKWUAVHJPQBC-UHFFFAOYSA-N -1 3 363.882 3.337 20 0 FGADHM Cc1cccnc1CC[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC000451817371 501379260 /nfs/dbraw/zinc/37/92/60/501379260.db2.gz LLQOXKCHIBKKSY-UHFFFAOYSA-N -1 3 362.348 3.069 20 0 FGADHM C[C@H](Cc1cnn(C)c1)[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000451960424 501409245 /nfs/dbraw/zinc/40/92/45/501409245.db2.gz FFFSLXVETBWKOI-SNVBAGLBSA-N -1 3 369.899 3.198 20 0 FGADHM CCO[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC000452065765 501428014 /nfs/dbraw/zinc/42/80/14/501428014.db2.gz JLQJAMZIGYLUJV-VXGBXAGGSA-N -1 3 355.353 3.080 20 0 FGADHM CC(C)(C)c1ccc(C2CCN(C(=O)C(=O)[N-]c3cnns3)CC2)cc1 ZINC000453915354 501428176 /nfs/dbraw/zinc/42/81/76/501428176.db2.gz CZYIZNFTZZVBAM-UHFFFAOYSA-N -1 3 372.494 3.180 20 0 FGADHM COc1ccc([C@@H]([N-]S(=O)(=O)CCC(F)(F)F)c2ccco2)cc1 ZINC000452087320 501432315 /nfs/dbraw/zinc/43/23/15/501432315.db2.gz PIJDLJKOGCXJTK-CQSZACIVSA-N -1 3 363.357 3.249 20 0 FGADHM O=C(Cc1ccc(Br)cc1[O-])N1CCSC[C@H]1C1CC1 ZINC000456207825 501474670 /nfs/dbraw/zinc/47/46/70/501474670.db2.gz TUFQDBVNXWDQMQ-ZDUSSCGKSA-N -1 3 356.285 3.051 20 0 FGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@@H](C)CC(C)(C)C)cc1OC ZINC000454372702 501526310 /nfs/dbraw/zinc/52/63/10/501526310.db2.gz ZZHDOJCDDBHVRH-LBPRGKRZSA-N -1 3 371.503 3.403 20 0 FGADHM O=C(Nc1ncc(C2CCOCC2)s1)c1n[n-]nc1-c1ccccc1 ZINC000452663044 501540411 /nfs/dbraw/zinc/54/04/11/501540411.db2.gz PGLRJZFJUHNJEQ-UHFFFAOYSA-N -1 3 355.423 3.075 20 0 FGADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@@H]1CCO[C@@H](c2ccccn2)C1 ZINC000456554913 501547403 /nfs/dbraw/zinc/54/74/03/501547403.db2.gz UZHFLOYECQJHEU-DNVCBOLYSA-N -1 3 358.413 3.286 20 0 FGADHM COc1cc(C(=O)N[C@@H]2CCCN(C)c3ccccc32)cc(OC)c1[O-] ZINC000456612690 501558392 /nfs/dbraw/zinc/55/83/92/501558392.db2.gz SCZNJZYUAIPTNL-OAHLLOKOSA-N -1 3 356.422 3.111 20 0 FGADHM O=S(=O)([N-]CCOc1ccc(F)c(F)c1)c1cc(F)ccc1Cl ZINC000592819097 506262319 /nfs/dbraw/zinc/26/23/19/506262319.db2.gz NYVPOVJDWFIRJJ-UHFFFAOYSA-N -1 3 365.760 3.115 20 0 FGADHM O=C(N[C@@H]([C@@H](CO)C1CC1)C1CC1)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000452963246 501593868 /nfs/dbraw/zinc/59/38/68/501593868.db2.gz URBBGLLNROSWCT-SWLSCSKDSA-N -1 3 365.886 3.319 20 0 FGADHM CC(C)CCc1ccc(NC(=O)c2ccc([N-]S(C)(=O)=O)cc2)nc1 ZINC000456772885 501596234 /nfs/dbraw/zinc/59/62/34/501596234.db2.gz AJXRJXYNFOLUAH-UHFFFAOYSA-N -1 3 361.467 3.294 20 0 FGADHM COc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCc3ccc(C)cc32)cc1OC ZINC000592821710 506263097 /nfs/dbraw/zinc/26/30/97/506263097.db2.gz PYEDAEYNHHPFQQ-OAHLLOKOSA-N -1 3 365.426 3.117 20 0 FGADHM Cc1ccc(CN(C)C(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])cc1C ZINC000456960425 501626359 /nfs/dbraw/zinc/62/63/59/501626359.db2.gz LDRVLINZBLUINW-IBGZPJMESA-N -1 3 366.461 3.272 20 0 FGADHM O=c1cc(CN2CCN(Cc3ccc(Cl)cc3)CC2)nc(C2CC2)[n-]1 ZINC000459300029 501626892 /nfs/dbraw/zinc/62/68/92/501626892.db2.gz QLGUWAFBBMHTCI-UHFFFAOYSA-N -1 3 358.873 3.031 20 0 FGADHM [O-]c1cccc(CN2CCO[C@H](c3cccc(O)c3)C2)c1Br ZINC000459344250 501635429 /nfs/dbraw/zinc/63/54/29/501635429.db2.gz IAPFUTAMJDTWLV-INIZCTEOSA-N -1 3 364.239 3.434 20 0 FGADHM CC[C@@H]1CN(Cc2cc(=O)[n-]c(-c3ccccc3)n2)[C@@H](CC)CN1C(C)=O ZINC000459357282 501638289 /nfs/dbraw/zinc/63/82/89/501638289.db2.gz MBNIVRBFANWTSH-RBUKOAKNSA-N -1 3 368.481 3.071 20 0 FGADHM CCOc1cc(CN2CCOC[C@H]2c2c(C)n[nH]c2C)cc(Cl)c1[O-] ZINC000459362729 501639138 /nfs/dbraw/zinc/63/91/38/501639138.db2.gz UMPLZUBIDLUFJY-HNNXBMFYSA-N -1 3 365.861 3.358 20 0 FGADHM O=c1cc(CN[C@H](c2ccc3c(c2)OCCO3)C2CC2)nc(C2CC2)[n-]1 ZINC000459393379 501645551 /nfs/dbraw/zinc/64/55/51/501645551.db2.gz YCSZPXUDJVRHDK-IBGZPJMESA-N -1 3 353.422 3.072 20 0 FGADHM [O-]c1cccc(CNC[C@H](O)CCc2ccccc2)c1Br ZINC000459481980 501661368 /nfs/dbraw/zinc/66/13/68/501661368.db2.gz NOUNQODHVZZWKQ-OAHLLOKOSA-N -1 3 350.256 3.238 20 0 FGADHM CCOc1cc(CN2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)OC)cc(Cl)c1[O-] ZINC000459506958 501665755 /nfs/dbraw/zinc/66/57/55/501665755.db2.gz JXFVLHOWHOPWGO-WOSRLPQWSA-N -1 3 353.846 3.218 20 0 FGADHM CCOc1cc(CN2CCC(Oc3cnccn3)CC2)cc(Cl)c1[O-] ZINC000459531030 501670936 /nfs/dbraw/zinc/67/09/36/501670936.db2.gz ZJZXICBKSPPQNG-UHFFFAOYSA-N -1 3 363.845 3.278 20 0 FGADHM CCNC(=O)Nc1c(C)cccc1NC(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000457317448 501680800 /nfs/dbraw/zinc/68/08/00/501680800.db2.gz YCJMDIIJLFRAMN-UHFFFAOYSA-N -1 3 373.409 3.112 20 0 FGADHM O=C(Nc1nnc(-c2cc3ccccc3o2)[n-]1)c1ccc(-n2cnnc2)cc1 ZINC000485128703 501729867 /nfs/dbraw/zinc/72/98/67/501729867.db2.gz FYORGWLDFSWXNH-UHFFFAOYSA-N -1 3 371.360 3.051 20 0 FGADHM O=C(Nc1nc(-c2cc3ccccc3o2)n[n-]1)c1ccc(-n2cnnc2)cc1 ZINC000485128703 501729873 /nfs/dbraw/zinc/72/98/73/501729873.db2.gz FYORGWLDFSWXNH-UHFFFAOYSA-N -1 3 371.360 3.051 20 0 FGADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)c1ccc(-n2cnnc2)cc1 ZINC000485128703 501729880 /nfs/dbraw/zinc/72/98/80/501729880.db2.gz FYORGWLDFSWXNH-UHFFFAOYSA-N -1 3 371.360 3.051 20 0 FGADHM O=C(Nc1nnc(-c2cc3ccccc3o2)[n-]1)c1cccc(-c2nc[nH]n2)c1 ZINC000485126115 501730571 /nfs/dbraw/zinc/73/05/71/501730571.db2.gz GECNGIIWFJGDKI-UHFFFAOYSA-N -1 3 371.360 3.255 20 0 FGADHM O=C(Nc1nc(-c2cc3ccccc3o2)n[n-]1)c1cccc(-c2nc[nH]n2)c1 ZINC000485126115 501730576 /nfs/dbraw/zinc/73/05/76/501730576.db2.gz GECNGIIWFJGDKI-UHFFFAOYSA-N -1 3 371.360 3.255 20 0 FGADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)c1cccc(-c2nc[nH]n2)c1 ZINC000485126115 501730580 /nfs/dbraw/zinc/73/05/80/501730580.db2.gz GECNGIIWFJGDKI-UHFFFAOYSA-N -1 3 371.360 3.255 20 0 FGADHM Cn1[n-]c(=NC(=O)N[C@H](C2CCCCC2)C(F)(F)F)cc1OC(F)F ZINC000481299341 501736133 /nfs/dbraw/zinc/73/61/33/501736133.db2.gz FJJKMXMNNLEFOH-LLVKDONJSA-N -1 3 370.322 3.076 20 0 FGADHM COC(=O)c1c(F)ccc([N-]C(=O)c2c(C)onc2-c2ccncc2)c1F ZINC000485154202 501740629 /nfs/dbraw/zinc/74/06/29/501740629.db2.gz XLCVPOFVAYUEKI-UHFFFAOYSA-N -1 3 373.315 3.362 20 0 FGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@H]1CCN(C)[C@@H](C)C1 ZINC000470604201 501740980 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COc1cccc(O[C@H](C)CNC(=O)CCCc2ccc([O-])c(F)c2)c1 ZINC000469407443 502404483 /nfs/dbraw/zinc/40/44/83/502404483.db2.gz FWJJYMXUXLUONM-CQSZACIVSA-N -1 3 361.413 3.446 20 0 FGADHM CSCCCC[N-]S(=O)(=O)c1sc(C)cc1Br ZINC000462352053 502404772 /nfs/dbraw/zinc/40/47/72/502404772.db2.gz KWOPNEMFCNFFHS-UHFFFAOYSA-N -1 3 358.348 3.241 20 0 FGADHM COc1ccccc1O[C@H](C)CNC(=O)CCCc1ccc([O-])c(F)c1 ZINC000469420300 502409296 /nfs/dbraw/zinc/40/92/96/502409296.db2.gz OCWNFQJHIYCHMH-CQSZACIVSA-N -1 3 361.413 3.446 20 0 FGADHM COC1(C[N-]S(=O)(=O)c2ccccc2C(F)(F)F)CCCCC1 ZINC000476204301 502412969 /nfs/dbraw/zinc/41/29/69/502412969.db2.gz UQFSBEIHDJIYOY-UHFFFAOYSA-N -1 3 351.390 3.333 20 0 FGADHM CC[C@H](C)c1nc([C@@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2OC)n[nH]1 ZINC000487342624 502421901 /nfs/dbraw/zinc/42/19/01/502421901.db2.gz GJJJSWRQCLGWBK-VHSXEESVSA-N -1 3 372.878 3.020 20 0 FGADHM Cc1ccccc1-n1nccc1[N-]S(=O)(=O)c1ccc(CN(C)C)cc1 ZINC000476236416 502423713 /nfs/dbraw/zinc/42/37/13/502423713.db2.gz JQVJXDQPASQPLA-UHFFFAOYSA-N -1 3 370.478 3.043 20 0 FGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@@H](C)SCC(=O)Nc1ccc(C)cc1 ZINC000592949439 506312432 /nfs/dbraw/zinc/31/24/32/506312432.db2.gz CCGSWRPTELGZKX-CQSZACIVSA-N -1 3 374.510 3.271 20 0 FGADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)N1CCC[C@@H]1/C=C/c1ccccc1 ZINC000483547892 502427908 /nfs/dbraw/zinc/42/79/08/502427908.db2.gz WHYSLJSPBJPYLO-MMQHEFTJSA-N -1 3 365.359 3.211 20 0 FGADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)N1CCC[C@@H]1/C=C/c1ccccc1 ZINC000483547892 502427910 /nfs/dbraw/zinc/42/79/10/502427910.db2.gz WHYSLJSPBJPYLO-MMQHEFTJSA-N -1 3 365.359 3.211 20 0 FGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N1CCC[C@@H]1/C=C/c1ccccc1 ZINC000483547892 502427913 /nfs/dbraw/zinc/42/79/13/502427913.db2.gz WHYSLJSPBJPYLO-MMQHEFTJSA-N -1 3 365.359 3.211 20 0 FGADHM CO[C@H](C[N-]S(=O)(=O)c1ccc(C)cc1F)c1ccc(Cl)cc1 ZINC000462415965 502429447 /nfs/dbraw/zinc/42/94/47/502429447.db2.gz IQPKEXGRWNDEOH-OAHLLOKOSA-N -1 3 357.834 3.454 20 0 FGADHM COC(=O)[C@@H](C)Sc1ccccc1C(=O)N=c1[nH][n-]c(C(C)C)c1C ZINC000592950644 506312599 /nfs/dbraw/zinc/31/25/99/506312599.db2.gz YIQAAHLSXKSFPA-GFCCVEGCSA-N -1 3 361.467 3.169 20 0 FGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCCc2c(O)cccc21 ZINC000487376281 502429920 /nfs/dbraw/zinc/42/99/20/502429920.db2.gz IVEPPLOXRGYALH-CQSZACIVSA-N -1 3 367.854 3.410 20 0 FGADHM Cc1cccc(F)c1NC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000476253928 502432067 /nfs/dbraw/zinc/43/20/67/502432067.db2.gz FWOKYFIKKOPWHT-UHFFFAOYSA-N -1 3 352.369 3.181 20 0 FGADHM O=C(CCc1cnccn1)N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1 ZINC000476278229 502440950 /nfs/dbraw/zinc/44/09/50/502440950.db2.gz MMGGRMQTBTXUSM-UHFFFAOYSA-N -1 3 362.220 3.167 20 0 FGADHM O=C(Cc1ccc(Br)cc1[O-])N1CCc2ccc(F)cc2C1 ZINC000483617819 502444572 /nfs/dbraw/zinc/44/45/72/502444572.db2.gz QSTKGEKHAJOIOV-UHFFFAOYSA-N -1 3 364.214 3.421 20 0 FGADHM CO[C@@H](C[N-]S(=O)(=O)c1c(C)cccc1F)c1cccc(Cl)c1 ZINC000476309353 502451589 /nfs/dbraw/zinc/45/15/89/502451589.db2.gz SVAAMJHQMNFJSW-HNNXBMFYSA-N -1 3 357.834 3.454 20 0 FGADHM Cc1coc2ccc(NC(=O)c3cccc([C@@]4(C)NC(=O)[N-]C4=O)c3)cc12 ZINC000480079712 502467963 /nfs/dbraw/zinc/46/79/63/502467963.db2.gz JPKQKAGVSZBAIW-HXUWFJFHSA-N -1 3 363.373 3.048 20 0 FGADHM CCc1cc(C(=O)N(Cc2ccccc2)C[C@]2(O)CCO[C@H]2C)ccc1[O-] ZINC000487550860 502476526 /nfs/dbraw/zinc/47/65/26/502476526.db2.gz KXBJZNHIGFZDSV-KSFYIVLOSA-N -1 3 369.461 3.137 20 0 FGADHM CCc1cc(C(=O)NC[C@H]2CSCCN2Cc2ccccc2)ccc1[O-] ZINC000487639683 502495780 /nfs/dbraw/zinc/49/57/80/502495780.db2.gz LVXBKKQSLIRFGJ-IBGZPJMESA-N -1 3 370.518 3.302 20 0 FGADHM CC[C@H]1CCCC[C@@H]1C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1[O-] ZINC000476473867 502499120 /nfs/dbraw/zinc/49/91/20/502499120.db2.gz VMIAHDOGXPNUHG-ZFWWWQNUSA-N -1 3 366.483 3.087 20 0 FGADHM CCCCN(C)S(=O)(=O)[N-]c1cnn(-c2cccc(C)c2)c1CC ZINC000480203756 502501325 /nfs/dbraw/zinc/50/13/25/502501325.db2.gz WMMWZHQVYMANOC-UHFFFAOYSA-N -1 3 350.488 3.132 20 0 FGADHM COc1ccccc1O[C@@H](C)C[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000462605292 502503948 /nfs/dbraw/zinc/50/39/48/502503948.db2.gz VVUNCZMLMWRCLM-NSHDSACASA-N -1 3 373.833 3.234 20 0 FGADHM Cc1cccc(F)c1S(=O)(=O)[N-]Cc1cccc(OC(C)(C)C)n1 ZINC000476503387 502506885 /nfs/dbraw/zinc/50/68/85/502506885.db2.gz JJDMVLPSTXRECI-UHFFFAOYSA-N -1 3 352.431 3.185 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(NC(C)=O)cc2Cl)c(F)c1 ZINC000480242000 502511906 /nfs/dbraw/zinc/51/19/06/502511906.db2.gz ASTHMPPOKNTOCK-UHFFFAOYSA-N -1 3 372.805 3.247 20 0 FGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)CNc2ccccc2Cl)c1 ZINC000607915223 506318681 /nfs/dbraw/zinc/31/86/81/506318681.db2.gz AXRNYDSWPYSHQX-UHFFFAOYSA-N -1 3 367.858 3.071 20 0 FGADHM CN(CC(=O)Nc1ccccc1Br)Cc1cc([O-])cc(F)c1 ZINC000473148819 502528964 /nfs/dbraw/zinc/52/89/64/502528964.db2.gz RINRXZWRWOOHQV-UHFFFAOYSA-N -1 3 367.218 3.364 20 0 FGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H](C)Oc2ccc(C)cc2)c1 ZINC000462700436 502539010 /nfs/dbraw/zinc/53/90/10/502539010.db2.gz IHVIZCWCDPHAGE-ZDUSSCGKSA-N -1 3 369.870 3.403 20 0 FGADHM C[C@@H](C[N-]S(=O)(=O)c1cc(F)ccc1Cl)Oc1ccc(F)cc1 ZINC000462704021 502541077 /nfs/dbraw/zinc/54/10/77/502541077.db2.gz LRWDNDUCYHWAON-JTQLQIEISA-N -1 3 361.797 3.364 20 0 FGADHM CC[C@H](NC(=O)c1c[n-]c2c(F)cc(F)cc2c1=O)c1c(C)noc1C ZINC000473195657 502541547 /nfs/dbraw/zinc/54/15/47/502541547.db2.gz KFDAQVAPQGJUDV-AWEZNQCLSA-N -1 3 361.348 3.292 20 0 FGADHM CC(C)c1nc([C@@H](C)NCc2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)cs1 ZINC000469779438 502541840 /nfs/dbraw/zinc/54/18/40/502541840.db2.gz JOBODCYIWCVKQP-CWTRNNRKSA-N -1 3 372.494 3.172 20 0 FGADHM Cc1ccc(O[C@@H](C)C[N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)cc1 ZINC000462721124 502548063 /nfs/dbraw/zinc/54/80/63/502548063.db2.gz KQXTVAFFERYRQT-NSHDSACASA-N -1 3 359.369 3.158 20 0 FGADHM COc1cc(F)c(S(=O)(=O)[N-][C@@H]2CC[C@@H]3CCC[C@H]3C2)cc1OC ZINC000462720026 502548654 /nfs/dbraw/zinc/54/86/54/502548654.db2.gz HZWAEYYBHQIPCS-RWMBFGLXSA-N -1 3 357.447 3.090 20 0 FGADHM CC(C)=CCCNC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000473234167 502548662 /nfs/dbraw/zinc/54/86/62/502548662.db2.gz LQLYEHRFINNQKI-UHFFFAOYSA-N -1 3 364.389 3.163 20 0 FGADHM O=C(Nc1cc(F)cc(NCC(F)(F)F)c1)c1ccc2n[n-]nc2c1 ZINC000473244964 502550441 /nfs/dbraw/zinc/55/04/41/502550441.db2.gz SODFLXVDYBZSHN-UHFFFAOYSA-N -1 3 353.279 3.324 20 0 FGADHM O=C(Nc1nnc(-c2ccco2)[n-]1)c1cc(C2CC2)nn1-c1ccccc1 ZINC000484101943 502569778 /nfs/dbraw/zinc/56/97/78/502569778.db2.gz GYJUNWYCMWSJON-UHFFFAOYSA-N -1 3 360.377 3.380 20 0 FGADHM O=C(Nc1nc(-c2ccco2)n[n-]1)c1cc(C2CC2)nn1-c1ccccc1 ZINC000484101943 502569782 /nfs/dbraw/zinc/56/97/82/502569782.db2.gz GYJUNWYCMWSJON-UHFFFAOYSA-N -1 3 360.377 3.380 20 0 FGADHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1cc(C2CC2)nn1-c1ccccc1 ZINC000484101943 502569787 /nfs/dbraw/zinc/56/97/87/502569787.db2.gz GYJUNWYCMWSJON-UHFFFAOYSA-N -1 3 360.377 3.380 20 0 FGADHM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)c1csc2cc(C)ccc12 ZINC000484132160 502578587 /nfs/dbraw/zinc/57/85/87/502578587.db2.gz NPSWTQSJISRQGY-UHFFFAOYSA-N -1 3 372.402 3.363 20 0 FGADHM CC(C)c1ccc(Cn2nccc2NC(=O)NCc2ncccc2[O-])cc1 ZINC000469928290 502599994 /nfs/dbraw/zinc/59/99/94/502599994.db2.gz OWBYYUHJPYRDBH-UHFFFAOYSA-N -1 3 365.437 3.477 20 0 FGADHM CC(C)(C)c1n[n-]c(=NC2CC(N3CCC(C(F)(F)F)CC3)C2)s1 ZINC000480565041 502603966 /nfs/dbraw/zinc/60/39/66/502603966.db2.gz UXCSIYYNXXGTEP-UHFFFAOYSA-N -1 3 362.465 3.475 20 0 FGADHM C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000484265322 502610242 /nfs/dbraw/zinc/61/02/42/502610242.db2.gz WAELXUBXBLYCCS-YJBOKZPZSA-N -1 3 373.497 3.074 20 0 FGADHM CCOC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(F)c(F)c2F)c1 ZINC000473502951 502613489 /nfs/dbraw/zinc/61/34/89/502613489.db2.gz KWKFFJRXTYJRNA-UHFFFAOYSA-N -1 3 373.352 3.390 20 0 FGADHM COc1cccc(Cl)c1C[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000480716464 502652045 /nfs/dbraw/zinc/65/20/45/502652045.db2.gz KQLLVASYDDJJQP-UHFFFAOYSA-N -1 3 365.760 3.244 20 0 FGADHM CCCCCn1cc(C[N-]S(=O)(=O)c2ccc(OC)cc2F)c(C)n1 ZINC000480722059 502652935 /nfs/dbraw/zinc/65/29/35/502652935.db2.gz ADABIWGELKRTEG-UHFFFAOYSA-N -1 3 369.462 3.008 20 0 FGADHM CC(C)OC(=O)CC[C@@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000480742644 502658161 /nfs/dbraw/zinc/65/81/61/502658161.db2.gz DJLQTTQRZVSBER-SNVBAGLBSA-N -1 3 368.282 3.392 20 0 FGADHM O=C(Cc1csc(-c2ccccc2Cl)n1)NCc1ncccc1[O-] ZINC000473637682 502662102 /nfs/dbraw/zinc/66/21/02/502662102.db2.gz KMJONNCIFAVPOD-UHFFFAOYSA-N -1 3 359.838 3.423 20 0 FGADHM O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)NCc1ncccc1[O-] ZINC000473642601 502664711 /nfs/dbraw/zinc/66/47/11/502664711.db2.gz ZJSPOESMUKCXFK-UHFFFAOYSA-N -1 3 357.797 3.345 20 0 FGADHM C[C@@H]1C[C@H](CCNC(=O)c2cncc([N-]S(C)(=O)=O)c2)CC(C)(C)C1 ZINC000470171068 502691879 /nfs/dbraw/zinc/69/18/79/502691879.db2.gz FEONRNGOXUOCOO-KGLIPLIRSA-N -1 3 367.515 3.035 20 0 FGADHM C[C@@](O)(C[N-]S(=O)(=O)c1ccccc1C(F)(F)F)C1CCCCC1 ZINC000480873789 502695684 /nfs/dbraw/zinc/69/56/84/502695684.db2.gz XZBHDZMDMZWHLT-OAHLLOKOSA-N -1 3 365.417 3.315 20 0 FGADHM Cc1ccnc([C@@H]([N-]S(=O)(=O)Cc2ccc(Cl)c(F)c2)C2CC2)n1 ZINC000480880438 502696963 /nfs/dbraw/zinc/69/69/63/502696963.db2.gz WAEHBXFLHMAVHU-HNNXBMFYSA-N -1 3 369.849 3.148 20 0 FGADHM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCO3)c(F)c1 ZINC000477215208 502709932 /nfs/dbraw/zinc/70/99/32/502709932.db2.gz AJRPPYGZJJBBKK-UHFFFAOYSA-N -1 3 353.371 3.142 20 0 FGADHM CC(C)c1nn(C)c2sc(C(=O)Nc3nc(-c4ccccn4)n[n-]3)cc12 ZINC000463193716 502716125 /nfs/dbraw/zinc/71/61/25/502716125.db2.gz SYISTDNXXIZZMK-UHFFFAOYSA-N -1 3 367.438 3.191 20 0 FGADHM CO[C@@]1(C)C[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1(C)C ZINC000466894841 502717010 /nfs/dbraw/zinc/71/70/10/502717010.db2.gz VWKQKMAIOCVRMG-RISCZKNCSA-N -1 3 352.283 3.475 20 0 FGADHM CS[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)cn2)C1 ZINC000480993448 502723015 /nfs/dbraw/zinc/72/30/15/502723015.db2.gz UUXORLJGWXBQRN-MNOVXSKESA-N -1 3 354.419 3.053 20 0 FGADHM CC(C)(C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1cccc(Cl)c1F ZINC000473854453 502726604 /nfs/dbraw/zinc/72/66/04/502726604.db2.gz GSVHYIHDZUJGQK-ZDUSSCGKSA-N -1 3 351.809 3.392 20 0 FGADHM CN(C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)[C@@H]1CC1(C)C ZINC000488479758 502727045 /nfs/dbraw/zinc/72/70/45/502727045.db2.gz REWJLLQTPIOZBL-CQSZACIVSA-N -1 3 371.478 3.165 20 0 FGADHM Cc1ccc(OCCCC(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)c(Cl)c1 ZINC000473858721 502729056 /nfs/dbraw/zinc/72/90/56/502729056.db2.gz ROXXXUGIDYUCAW-MRXNPFEDSA-N -1 3 363.845 3.443 20 0 FGADHM CC[C@H](C[N-]S(=O)(=O)c1ccc(F)c(F)c1)Oc1ccccc1F ZINC000484788992 502740280 /nfs/dbraw/zinc/74/02/80/502740280.db2.gz ZCTVEPFJSDGJHF-LLVKDONJSA-N -1 3 359.369 3.240 20 0 FGADHM Cc1nc(-c2ccc(NC(=O)N[C@H](C)C(=O)OC(C)(C)C)cc2)cc(=O)[n-]1 ZINC000477331627 502744300 /nfs/dbraw/zinc/74/43/00/502744300.db2.gz PZYQJTOGHPKKCS-LLVKDONJSA-N -1 3 372.425 3.009 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]Cc2ccc(OC(C)C)nc2)sc1Cl ZINC000473915948 502747596 /nfs/dbraw/zinc/74/75/96/502747596.db2.gz XTSYTEAZIPBLFY-UHFFFAOYSA-N -1 3 360.888 3.371 20 0 FGADHM CCc1cc(C(=O)N(CCNC(C)=O)Cc2ccc(C)s2)ccc1[O-] ZINC000488574456 502754136 /nfs/dbraw/zinc/75/41/36/502754136.db2.gz HXCMVFGIAPYGBQ-UHFFFAOYSA-N -1 3 360.479 3.103 20 0 FGADHM O=C(CNC(=O)c1ccsc1)Nc1cc(Cc2ccccc2)ccc1[O-] ZINC000470395398 502759844 /nfs/dbraw/zinc/75/98/44/502759844.db2.gz XQLRDTCMSSJTDV-UHFFFAOYSA-N -1 3 366.442 3.413 20 0 FGADHM CCc1cc(Br)ccc1[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000477418492 502769269 /nfs/dbraw/zinc/76/92/69/502769269.db2.gz IYKNHIOEEVICNG-CYBMUJFWSA-N -1 3 362.289 3.322 20 0 FGADHM C[C@H](Cc1ccc(O)cc1)NC(=O)Cc1ccc(Br)cc1[O-] ZINC000477420851 502770020 /nfs/dbraw/zinc/77/00/20/502770020.db2.gz QLVMFPWIOPBHQC-LLVKDONJSA-N -1 3 364.239 3.150 20 0 FGADHM CC[C@@H](CNC(=O)c1cc(=O)c2ccccc2[n-]1)Oc1ccccc1C ZINC000488653386 502774649 /nfs/dbraw/zinc/77/46/49/502774649.db2.gz IDVYRPBJWBHERC-HNNXBMFYSA-N -1 3 350.418 3.424 20 0 FGADHM COC(=O)C(C)(C)c1ccc(NC(=O)c2[n-]nc3c2cccc3OC)cc1 ZINC000582630771 506333638 /nfs/dbraw/zinc/33/36/38/506333638.db2.gz VNJDMTBPZBDGKP-UHFFFAOYSA-N -1 3 367.405 3.274 20 0 FGADHM COC(=O)C(C)(C)c1ccc(NC(=O)c2n[n-]c3c2cccc3OC)cc1 ZINC000582630771 506333645 /nfs/dbraw/zinc/33/36/45/506333645.db2.gz VNJDMTBPZBDGKP-UHFFFAOYSA-N -1 3 367.405 3.274 20 0 FGADHM COc1cccc(N=c2[n-]nc(SCCCN3CCCC3)s2)c1 ZINC000470448353 502779111 /nfs/dbraw/zinc/77/91/11/502779111.db2.gz PCBXEPHXPKTVQN-UHFFFAOYSA-N -1 3 350.513 3.290 20 0 FGADHM O=S(=O)([N-]CCOc1ccc(Cl)cc1)c1cc(F)ccc1Cl ZINC000488728442 502793262 /nfs/dbraw/zinc/79/32/62/502793262.db2.gz SARPONXNTFNURH-UHFFFAOYSA-N -1 3 364.225 3.490 20 0 FGADHM C[C@@H]1[C@H](CO)CCN1Cc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000488736968 502796970 /nfs/dbraw/zinc/79/69/70/502796970.db2.gz WBFZDXGHRFPJNV-OCCSQVGLSA-N -1 3 355.463 3.267 20 0 FGADHM COc1ccc(Br)c(S(=O)(=O)[N-]C[C@H]2CC[C@@H](C)C2)c1 ZINC000481252272 502797690 /nfs/dbraw/zinc/79/76/90/502797690.db2.gz COTATJIGNFZMSD-MNOVXSKESA-N -1 3 362.289 3.172 20 0 FGADHM COCCC1([N-]S(=O)(=O)c2cc(Cl)c(OC)cc2Cl)CCC1 ZINC000481264967 502801191 /nfs/dbraw/zinc/80/11/91/502801191.db2.gz 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/nfs/dbraw/zinc/21/41/04/503214104.db2.gz CCGSGSFJQVNJDT-SJORKVTESA-N -1 3 364.405 3.135 20 0 FGADHM COc1n[n-]c(NC(=O)[C@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)n1 ZINC000490682368 503214108 /nfs/dbraw/zinc/21/41/08/503214108.db2.gz CCGSGSFJQVNJDT-SJORKVTESA-N -1 3 364.405 3.135 20 0 FGADHM COc1ccc(C(=O)CCC(=O)N2CCCc3cccc([O-])c32)cc1OC ZINC000490890509 503242745 /nfs/dbraw/zinc/24/27/45/503242745.db2.gz STDVDHKOXCGGDD-UHFFFAOYSA-N -1 3 369.417 3.352 20 0 FGADHM Cn1[n-]c(=NC(=O)C2(Sc3ccccc3)CCCC2)cc1OC(F)F ZINC000490933076 503248320 /nfs/dbraw/zinc/24/83/20/503248320.db2.gz DNFMRHKMSKBFHY-UHFFFAOYSA-N -1 3 367.421 3.487 20 0 FGADHM CN(CC(C)(C)C)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000588861810 506360466 /nfs/dbraw/zinc/36/04/66/506360466.db2.gz VTPNJOPYZKCRNI-UHFFFAOYSA-N -1 3 367.446 3.073 20 0 FGADHM O=C(N=c1cc(-c2cccnc2)[n-][nH]1)c1cc(F)c(C(F)(F)F)cc1F ZINC000491002445 503259484 /nfs/dbraw/zinc/25/94/84/503259484.db2.gz BQCDGGIGIFJKQR-UHFFFAOYSA-N -1 3 368.265 3.443 20 0 FGADHM Cc1ccc2c(CN3CCOC[C@@H]3[C@@H]3CCCC[C@@H]3O)ccc([O-])c2n1 ZINC000498772635 503261042 /nfs/dbraw/zinc/26/10/42/503261042.db2.gz YKJPGSFBHCXPLR-OTWHNJEPSA-N -1 3 356.466 3.001 20 0 FGADHM Cn1[n-]c(=NC(=O)c2ccccc2CCc2ccccc2)cc1OC(F)F ZINC000491017337 503261083 /nfs/dbraw/zinc/26/10/83/503261083.db2.gz GHLAIUUMBRRXAM-UHFFFAOYSA-N -1 3 371.387 3.481 20 0 FGADHM O=S(=O)([N-][C@H](CO)CC1CCCC1)c1ccc(F)cc1C(F)(F)F ZINC000511173904 503273718 /nfs/dbraw/zinc/27/37/18/503273718.db2.gz VLXJGKWWWLQYOK-LBPRGKRZSA-N -1 3 369.380 3.064 20 0 FGADHM COc1cc(C(=O)N[C@H]2CCCO[C@H]2c2ccc(C)cc2)cc(OC)c1[O-] ZINC000491136155 503277751 /nfs/dbraw/zinc/27/77/51/503277751.db2.gz BCEADEPGZJACIM-JXFKEZNVSA-N -1 3 371.433 3.368 20 0 FGADHM O=S(=O)([N-][C@@H](CO)CC1CCCC1)c1ccc(Cl)cc1Cl ZINC000511204041 503280084 /nfs/dbraw/zinc/28/00/84/503280084.db2.gz JGSFUUHRKUOKPD-GFCCVEGCSA-N -1 3 352.283 3.213 20 0 FGADHM O=C(NCC1CCC1)c1sccc1S(=O)(=O)[N-]C1CCCCCC1 ZINC000511265241 503290165 /nfs/dbraw/zinc/29/01/65/503290165.db2.gz IMELAHYPRGDARS-UHFFFAOYSA-N -1 3 370.540 3.279 20 0 FGADHM FC(F)(F)c1nc(CNc2ncc(Br)cc2Cl)n[n-]1 ZINC000491841756 503333097 /nfs/dbraw/zinc/33/30/97/503333097.db2.gz CAXVLEDMPXYTFY-UHFFFAOYSA-N -1 3 356.533 3.247 20 0 FGADHM FC(F)(F)c1n[n-]c(CNc2ncc(Br)cc2Cl)n1 ZINC000491841756 503333099 /nfs/dbraw/zinc/33/30/99/503333099.db2.gz CAXVLEDMPXYTFY-UHFFFAOYSA-N -1 3 356.533 3.247 20 0 FGADHM Cc1nc2ccc(C(=O)N=c3cc4ccc(Br)cn4[n-]3)cc2o1 ZINC000511291153 503294360 /nfs/dbraw/zinc/29/43/60/503294360.db2.gz ZIMRJWKYOITCDY-UHFFFAOYSA-N -1 3 371.194 3.221 20 0 FGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)c1cccnc1C1CC1 ZINC000511355024 503305228 /nfs/dbraw/zinc/30/52/28/503305228.db2.gz KABLWIXKRINBDA-UHFFFAOYSA-N -1 3 357.211 3.043 20 0 FGADHM C[C@]1(c2ccc(C(=O)Nc3csc4ccccc34)cc2)NC(=O)[N-]C1=O ZINC000491430684 503305697 /nfs/dbraw/zinc/30/56/97/503305697.db2.gz BYZMTDNEVUUMEJ-LJQANCHMSA-N -1 3 365.414 3.208 20 0 FGADHM COc1ccc(C)cc1CC(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000511379978 503310050 /nfs/dbraw/zinc/31/00/50/503310050.db2.gz CXBAJPXFMOEBOU-UHFFFAOYSA-N -1 3 374.238 3.017 20 0 FGADHM CC[C@@H](C)[C@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000502950465 503314144 /nfs/dbraw/zinc/31/41/44/503314144.db2.gz LQEIVFRSZQOLMW-MNOVXSKESA-N -1 3 366.405 3.148 20 0 FGADHM Cc1cc(CC[N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)on1 ZINC000511411051 503316387 /nfs/dbraw/zinc/31/63/87/503316387.db2.gz DFSQHRQIPKYXIT-UHFFFAOYSA-N -1 3 368.764 3.176 20 0 FGADHM COc1ccc(S[C@H](C)C(=O)N=c2cc(-c3ccncc3)[n-][nH]2)cc1 ZINC000502966380 503316835 /nfs/dbraw/zinc/31/68/35/503316835.db2.gz HNVNFNQCNPINDI-GFCCVEGCSA-N -1 3 354.435 3.022 20 0 FGADHM O=S(=O)([N-][C@@H]1CCO[C@@H](c2ccncc2)C1)c1cc(F)cc(Cl)c1 ZINC000515367668 503325085 /nfs/dbraw/zinc/32/50/85/503325085.db2.gz DZDYCORDSABJPQ-GDBMZVCRSA-N -1 3 370.833 3.073 20 0 FGADHM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1ccc(OCCCO)cc1 ZINC000507582314 503326910 /nfs/dbraw/zinc/32/69/10/503326910.db2.gz MJHIOOHYOFLFLW-UHFFFAOYSA-N -1 3 353.415 3.005 20 0 FGADHM FC(F)(F)c1nnc(CNc2ncc(Br)cc2Cl)[n-]1 ZINC000491841756 503333094 /nfs/dbraw/zinc/33/30/94/503333094.db2.gz CAXVLEDMPXYTFY-UHFFFAOYSA-N -1 3 356.533 3.247 20 0 FGADHM COc1c(C)cc(S(=O)(=O)[N-]c2ccc(F)c(C(C)=O)c2)cc1C ZINC000507623307 503334359 /nfs/dbraw/zinc/33/43/59/503334359.db2.gz YIEAGEBENGGZGS-UHFFFAOYSA-N -1 3 351.399 3.455 20 0 FGADHM O=S(=O)(C[C@H]1CCCO1)[N-]c1cccc(COc2ccc(F)cc2)c1 ZINC000507632888 503336084 /nfs/dbraw/zinc/33/60/84/503336084.db2.gz CHINXQGUQOLZPG-GOSISDBHSA-N -1 3 365.426 3.325 20 0 FGADHM CSc1nnc(NC(=O)c2sc(NC(=O)C(C)(C)C)cc2C)[n-]1 ZINC000499107888 503336455 /nfs/dbraw/zinc/33/64/55/503336455.db2.gz AWRCWRHOPFYKBV-UHFFFAOYSA-N -1 3 353.473 3.133 20 0 FGADHM CSc1n[n-]c(NC(=O)c2sc(NC(=O)C(C)(C)C)cc2C)n1 ZINC000499107888 503336457 /nfs/dbraw/zinc/33/64/57/503336457.db2.gz AWRCWRHOPFYKBV-UHFFFAOYSA-N -1 3 353.473 3.133 20 0 FGADHM CSc1nc(NC(=O)c2sc(NC(=O)C(C)(C)C)cc2C)n[n-]1 ZINC000499107888 503336460 /nfs/dbraw/zinc/33/64/60/503336460.db2.gz AWRCWRHOPFYKBV-UHFFFAOYSA-N -1 3 353.473 3.133 20 0 FGADHM O=S(=O)(Cc1c(F)ccc(Br)c1F)c1cccc([O-])c1 ZINC000507715339 503353211 /nfs/dbraw/zinc/35/32/11/503353211.db2.gz RUYQTEYBAQBLPW-UHFFFAOYSA-N -1 3 363.179 3.407 20 0 FGADHM CCC(=O)Nc1ccc(Cl)c(NC(=O)c2cc(F)cc3[n-]nnc32)c1 ZINC000503182458 503361690 /nfs/dbraw/zinc/36/16/90/503361690.db2.gz VRTJULRDBPJOMO-UHFFFAOYSA-N -1 3 361.764 3.351 20 0 FGADHM CCC(=O)Nc1ccc(Cl)c(NC(=O)c2cc(F)cc3nn[n-]c32)c1 ZINC000503182458 503361695 /nfs/dbraw/zinc/36/16/95/503361695.db2.gz VRTJULRDBPJOMO-UHFFFAOYSA-N -1 3 361.764 3.351 20 0 FGADHM CCC(=O)Nc1ccc(Cl)c(NC(=O)c2cc(F)cc3n[n-]nc32)c1 ZINC000503182458 503361698 /nfs/dbraw/zinc/36/16/98/503361698.db2.gz VRTJULRDBPJOMO-UHFFFAOYSA-N -1 3 361.764 3.351 20 0 FGADHM Cc1cccc(C)c1OC[C@H](C)[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000511811715 503392849 /nfs/dbraw/zinc/39/28/49/503392849.db2.gz SREILBYMXFRXLX-ZDUSSCGKSA-N -1 3 355.406 3.327 20 0 FGADHM COC(=O)[C@H](CS(=O)(=O)[N-]c1cc2[nH]ccc2cc1C)c1ccccc1 ZINC000507920534 503395615 /nfs/dbraw/zinc/39/56/15/503395615.db2.gz NLMYNJMFGULOKB-MRXNPFEDSA-N -1 3 372.446 3.175 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]c2cc3c(cc2Br)CCC3)cn1 ZINC000507972594 503406702 /nfs/dbraw/zinc/40/67/02/503406702.db2.gz XDFBQVYNFNKNJD-UHFFFAOYSA-N -1 3 367.268 3.442 20 0 FGADHM O=S(=O)([N-]Cc1ccc(Cl)cc1Cl)c1cn2c(n1)CCCC2 ZINC000503471396 503416348 /nfs/dbraw/zinc/41/63/48/503416348.db2.gz RSYMATNOCNZFEI-UHFFFAOYSA-N -1 3 360.266 3.005 20 0 FGADHM CCOc1ccccc1CN(C)C(=O)c1c[n-]c2cc(OC)ccc2c1=O ZINC000515926104 503420971 /nfs/dbraw/zinc/42/09/71/503420971.db2.gz GCHSVDVRSJCEQP-UHFFFAOYSA-N -1 3 366.417 3.208 20 0 FGADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-]C1CCCCC1 ZINC000503495762 503422221 /nfs/dbraw/zinc/42/22/21/503422221.db2.gz ZKTZSUVYZRIYLH-UHFFFAOYSA-N -1 3 366.252 3.208 20 0 FGADHM CCOC(=O)Cc1cccc(S(=O)(=O)[N-]c2c(C)cccc2F)c1 ZINC000508204084 503452618 /nfs/dbraw/zinc/45/26/18/503452618.db2.gz BLHYYKWEKAMCFY-UHFFFAOYSA-N -1 3 351.399 3.041 20 0 FGADHM O=S(=O)([N-]C[C@H]1CCCC(F)(F)C1)c1cnn(Cc2ccccc2)c1 ZINC000499704766 503462872 /nfs/dbraw/zinc/46/28/72/503462872.db2.gz AHNOHNQJYYFJJI-HNNXBMFYSA-N -1 3 369.437 3.035 20 0 FGADHM O=C(Nc1cccc(-c2noc(C3CC3)n2)c1)c1cc(F)cc2[n-]nnc21 ZINC000503746001 503467840 /nfs/dbraw/zinc/46/78/40/503467840.db2.gz IKNDBFKMHAIVPI-UHFFFAOYSA-N -1 3 364.340 3.277 20 0 FGADHM O=C(Nc1cccc(-c2noc(C3CC3)n2)c1)c1cc(F)cc2nn[n-]c21 ZINC000503746001 503467842 /nfs/dbraw/zinc/46/78/42/503467842.db2.gz IKNDBFKMHAIVPI-UHFFFAOYSA-N -1 3 364.340 3.277 20 0 FGADHM O=C(Nc1cccc(-c2noc(C3CC3)n2)c1)c1cc(F)cc2n[n-]nc21 ZINC000503746001 503467845 /nfs/dbraw/zinc/46/78/45/503467845.db2.gz IKNDBFKMHAIVPI-UHFFFAOYSA-N -1 3 364.340 3.277 20 0 FGADHM O=S(=O)([N-]CCc1ccc2c(c1)CCO2)c1cc(Cl)ccc1Cl ZINC000512160762 503472245 /nfs/dbraw/zinc/47/22/45/503472245.db2.gz SJVRCNHDNAPQNY-UHFFFAOYSA-N -1 3 372.273 3.449 20 0 FGADHM O=S(=O)([N-][C@H](c1ccccc1)c1ccc(F)cc1)c1cncc(F)c1 ZINC000588903945 506373957 /nfs/dbraw/zinc/37/39/57/506373957.db2.gz DIITWEQIHIVGDA-GOSISDBHSA-N -1 3 360.385 3.428 20 0 FGADHM CS(=O)(=O)[N-]c1cc(NC(=O)c2cccc(-n3cccc3)c2)ccc1F ZINC000494005019 503473676 /nfs/dbraw/zinc/47/36/76/503473676.db2.gz VGRVRCGJHQZZRI-UHFFFAOYSA-N -1 3 373.409 3.240 20 0 FGADHM CS(=O)(=O)[N-]c1cc(NC(=O)c2ccc(F)cc2Cl)ccc1F ZINC000494012031 503474680 /nfs/dbraw/zinc/47/46/80/503474680.db2.gz WNVKLLYPLLPMHS-UHFFFAOYSA-N -1 3 360.769 3.242 20 0 FGADHM C[C@@H]1[C@H](NC(=O)c2cc(F)c(F)c([O-])c2F)CCN1Cc1ccccc1 ZINC000494076661 503483587 /nfs/dbraw/zinc/48/35/87/503483587.db2.gz CVJAGIXGCHOSAH-IAQYHMDHSA-N -1 3 364.367 3.202 20 0 FGADHM CC[C@H](OC1CCCCC1)C(=O)Nc1nc2cccc(C(=O)OC)c2[n-]1 ZINC000494088141 503485887 /nfs/dbraw/zinc/48/58/87/503485887.db2.gz BDYRKZQCIZEEOW-HNNXBMFYSA-N -1 3 359.426 3.416 20 0 FGADHM CC[C@H](OC1CCCCC1)C(=O)Nc1nc2c(cccc2C(=O)OC)[n-]1 ZINC000494088141 503485891 /nfs/dbraw/zinc/48/58/91/503485891.db2.gz BDYRKZQCIZEEOW-HNNXBMFYSA-N -1 3 359.426 3.416 20 0 FGADHM CCCOc1cccc(CC(=O)Nc2nc3cccc(C(=O)OC)c3[n-]2)c1 ZINC000494089207 503485933 /nfs/dbraw/zinc/48/59/33/503485933.db2.gz KPHMDIGHKOSFOJ-UHFFFAOYSA-N -1 3 367.405 3.320 20 0 FGADHM CCCOc1cccc(CC(=O)Nc2nc3c(cccc3C(=O)OC)[n-]2)c1 ZINC000494089207 503485937 /nfs/dbraw/zinc/48/59/37/503485937.db2.gz KPHMDIGHKOSFOJ-UHFFFAOYSA-N -1 3 367.405 3.320 20 0 FGADHM CCOc1cc(C(=O)Nc2nc3cccc(C(=O)OC)c3[n-]2)ccc1C ZINC000494096473 503487088 /nfs/dbraw/zinc/48/70/88/503487088.db2.gz LSRIVJJHUAZZPD-UHFFFAOYSA-N -1 3 353.378 3.309 20 0 FGADHM CCOc1cc(C(=O)Nc2nc3c(cccc3C(=O)OC)[n-]2)ccc1C ZINC000494096473 503487090 /nfs/dbraw/zinc/48/70/90/503487090.db2.gz LSRIVJJHUAZZPD-UHFFFAOYSA-N -1 3 353.378 3.309 20 0 FGADHM O=C(NCCCNC(=O)C1(c2cccc(Cl)c2)CC1)c1cccc([O-])c1 ZINC000508398907 503487576 /nfs/dbraw/zinc/48/75/76/503487576.db2.gz OBJHXPANDIKVES-UHFFFAOYSA-N -1 3 372.852 3.014 20 0 FGADHM CCO[C@@H](C)c1ncc(C(=O)Nc2nc3cccc(C(=O)OC)c3[n-]2)s1 ZINC000494103763 503487828 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/nfs/dbraw/zinc/56/79/71/504567971.db2.gz RFJKBPUBDDDWCM-QFSBIZTOSA-N -1 3 358.413 3.469 20 0 FGADHM CC(C)Oc1cc(CN(C(=O)c2cc(F)cc3[n-]nnc32)C2CC2)ccn1 ZINC000548803327 504573120 /nfs/dbraw/zinc/57/31/20/504573120.db2.gz QRLBQNYZURRVRZ-UHFFFAOYSA-N -1 3 369.400 3.084 20 0 FGADHM CC(C)Oc1cc(CN(C(=O)c2cc(F)cc3nn[n-]c32)C2CC2)ccn1 ZINC000548803327 504573125 /nfs/dbraw/zinc/57/31/25/504573125.db2.gz QRLBQNYZURRVRZ-UHFFFAOYSA-N -1 3 369.400 3.084 20 0 FGADHM CC(C)Oc1cc(CN(C(=O)c2cc(F)cc3n[n-]nc32)C2CC2)ccn1 ZINC000548803327 504573133 /nfs/dbraw/zinc/57/31/33/504573133.db2.gz QRLBQNYZURRVRZ-UHFFFAOYSA-N -1 3 369.400 3.084 20 0 FGADHM CCc1cccc(C(=O)N[C@H](Cn2ccccc2=O)c2ccccc2)c1[O-] ZINC000548815585 504578086 /nfs/dbraw/zinc/57/80/86/504578086.db2.gz HMURCUWEEGTLLX-LJQANCHMSA-N -1 3 362.429 3.288 20 0 FGADHM CS(=O)(=O)[N-]c1cc(NC(=O)c2sccc2C2CC2)ccc1F ZINC000520782236 504580177 /nfs/dbraw/zinc/58/01/77/504580177.db2.gz SVYBLYYVARXKSL-UHFFFAOYSA-N -1 3 354.428 3.388 20 0 FGADHM CCS[C@H]1CCC[C@H]1NC(=O)c1c[n-]c2cc(F)c(OC)cc2c1=O ZINC000539489305 504587205 /nfs/dbraw/zinc/58/72/05/504587205.db2.gz UCGSZPFSMVKCAE-CJNGLKHVSA-N -1 3 364.442 3.080 20 0 FGADHM COc1ccc(C[C@H]2CCCN(C(=O)c3cc(F)cc4[n-]nnc43)C2)cc1 ZINC000548863865 504597310 /nfs/dbraw/zinc/59/73/10/504597310.db2.gz CBQFMGXQTFBWKW-CQSZACIVSA-N -1 3 368.412 3.201 20 0 FGADHM COc1ccc(C[C@H]2CCCN(C(=O)c3cc(F)cc4nn[n-]c43)C2)cc1 ZINC000548863865 504597317 /nfs/dbraw/zinc/59/73/17/504597317.db2.gz CBQFMGXQTFBWKW-CQSZACIVSA-N -1 3 368.412 3.201 20 0 FGADHM COc1ccc(C[C@H]2CCCN(C(=O)c3cc(F)cc4n[n-]nc43)C2)cc1 ZINC000548863865 504597324 /nfs/dbraw/zinc/59/73/24/504597324.db2.gz CBQFMGXQTFBWKW-CQSZACIVSA-N -1 3 368.412 3.201 20 0 FGADHM C[C@@H]1CCC[C@@H](Cc2nc(-c3cccc([C@]4(C)NC(=O)[N-]C4=O)c3)no2)C1 ZINC000545797721 504598980 /nfs/dbraw/zinc/59/89/80/504598980.db2.gz HDMXEANNTRNVKW-IZDJOXEWSA-N -1 3 368.437 3.160 20 0 FGADHM CCOC(=O)c1c(C(C)C)csc1[N-]C(=O)C(=O)N1CC[C@@H](CC)C1 ZINC000532293737 504601873 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MRTZZCUKDGYPEJ-OAHLLOKOSA-N -1 3 372.469 3.473 20 0 FGADHM Cc1cncc(CNC(=O)N=c2cc3ccc(Br)cn3[n-]2)c1 ZINC000482138214 515585499 /nfs/dbraw/zinc/58/54/99/515585499.db2.gz GBGWPTPMWCNBGV-UHFFFAOYSA-N -1 3 360.215 3.122 20 0 FGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)NCCCc1ccccn1 ZINC000482168516 515595494 /nfs/dbraw/zinc/59/54/94/515595494.db2.gz JNZCLRRBFHIOQV-UHFFFAOYSA-N -1 3 374.242 3.246 20 0 FGADHM O=C(Cc1cccc(OC(F)(F)F)c1)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000473845218 515771868 /nfs/dbraw/zinc/77/18/68/515771868.db2.gz DULWCYJECPODPS-CYBMUJFWSA-N -1 3 355.316 3.341 20 0 FGADHM Cc1ccc(-c2nc(CC(=O)N=c3cc([C@@H]4CCCO4)[n-][nH]3)cs2)o1 ZINC000473849846 515773704 /nfs/dbraw/zinc/77/37/04/515773704.db2.gz MJNFRVGONSONBP-ZDUSSCGKSA-N -1 3 358.423 3.467 20 0 FGADHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1ccn(-c2ccc(Cl)cc2)n1 ZINC000473849806 515773923 /nfs/dbraw/zinc/77/39/23/515773923.db2.gz LYQZTYJYUSQGSZ-HNNXBMFYSA-N -1 3 357.801 3.353 20 0 FGADHM CCOc1cccc2[nH]cc(CC(=O)N=c3cc([C@H]4CCCO4)[n-][nH]3)c21 ZINC000473860366 515781796 /nfs/dbraw/zinc/78/17/96/515781796.db2.gz YALGKKPTSLVRHQ-OAHLLOKOSA-N -1 3 354.410 3.322 20 0 FGADHM CC(C)(C(=O)N=c1cc2ccc(Br)cn2[n-]1)c1cccnc1 ZINC000511279160 515849711 /nfs/dbraw/zinc/84/97/11/515849711.db2.gz BWVLOQWGNXVERO-UHFFFAOYSA-N -1 3 359.227 3.408 20 0 FGADHM CC(C)[C@@H](N)C(=O)N=c1cc(-c2cc(Br)ccc2Cl)[n-][nH]1 ZINC000494513796 515868535 /nfs/dbraw/zinc/86/85/35/515868535.db2.gz VNAVTHWFQYVSGD-CYBMUJFWSA-N -1 3 371.666 3.414 20 0 FGADHM O=C(Cc1ccc2c(c1)CCO2)N=c1cc2ccc(Br)cn2[n-]1 ZINC000511384424 515886359 /nfs/dbraw/zinc/88/63/59/515886359.db2.gz QARIGBMLKYJFOP-UHFFFAOYSA-N -1 3 372.222 3.213 20 0 FGADHM CC(=O)Nc1nc(C(=O)N=c2cc(-c3cc(C)cc(C)c3)[n-][nH]2)cs1 ZINC000512554688 516303885 /nfs/dbraw/zinc/30/38/85/516303885.db2.gz IUCCDDZOTYUYQV-UHFFFAOYSA-N -1 3 355.423 3.361 20 0 FGADHM Cn1cccc(C(=O)N=c2ccn(-c3ccc(Cl)cc3Cl)[n-]2)c1=O ZINC000540060694 516426625 /nfs/dbraw/zinc/42/66/25/516426625.db2.gz VVJIZVJPEIXABK-UHFFFAOYSA-N -1 3 363.204 3.130 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)c2cc(S(C)(=O)=O)ccc2C)c1-c1ccccc1 ZINC000523333364 516442296 /nfs/dbraw/zinc/44/22/96/516442296.db2.gz VZEHUTZXDKNQHJ-UHFFFAOYSA-N -1 3 369.446 3.349 20 0 FGADHM CCNc1nc(C(=O)[N-]c2nnc(Cc3ccc(F)cc3)s2)cs1 ZINC000531766896 516631246 /nfs/dbraw/zinc/63/12/46/516631246.db2.gz ORKYCQZYFYXMDT-UHFFFAOYSA-N -1 3 363.443 3.409 20 0 FGADHM CCN=c1[n-]c(C(=O)Nc2nnc(Cc3ccc(F)cc3)s2)cs1 ZINC000531766896 516631255 /nfs/dbraw/zinc/63/12/55/516631255.db2.gz ORKYCQZYFYXMDT-UHFFFAOYSA-N -1 3 363.443 3.409 20 0 FGADHM CN(C)[C@H](C(=O)N=c1cc(-c2ccncc2)[n-][nH]1)c1cccc(Cl)c1 ZINC000520395216 517375842 /nfs/dbraw/zinc/37/58/42/517375842.db2.gz DSJAWCQTBWBCNV-KRWDZBQOSA-N -1 3 355.829 3.367 20 0 FGADHM COCCn1cc(C(=O)N=c2cc(-c3cc(C)c(C)cc3C)[n-][nH]2)c(C)n1 ZINC000542099043 517382270 /nfs/dbraw/zinc/38/22/70/517382270.db2.gz SJGQJZUCQPNZOQ-UHFFFAOYSA-N -1 3 367.453 3.406 20 0 FGADHM CCOc1nc(C(F)(F)F)ccc1C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000526959287 517410740 /nfs/dbraw/zinc/41/07/40/517410740.db2.gz DDMUUTMMVAWILS-LLVKDONJSA-N -1 3 370.331 3.326 20 0 FGADHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)c1cc(Cl)c2c(c1)OCCCO2 ZINC000526960795 517413941 /nfs/dbraw/zinc/41/39/41/517413941.db2.gz OONSXRCSTHKCQC-CYBMUJFWSA-N -1 3 363.801 3.328 20 0 FGADHM CCc1c(C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)cnn1-c1ccccc1 ZINC000527209491 517561447 /nfs/dbraw/zinc/56/14/47/517561447.db2.gz QKPLTXXAQJHWFD-KRWDZBQOSA-N -1 3 351.410 3.262 20 0 FGADHM CCc1c(C(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)cnn1Cc1ccccc1 ZINC000527208588 517562496 /nfs/dbraw/zinc/56/24/96/517562496.db2.gz RYCMHQXVRCGVPV-GOSISDBHSA-N -1 3 365.437 3.321 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@H]2CCCc3nn(C)cc32)c1-c1ccccc1F ZINC000530276881 517673331 /nfs/dbraw/zinc/67/33/31/517673331.db2.gz WVNWKJXADAAAOO-LBPRGKRZSA-N -1 3 353.401 3.316 20 0 FGADHM CN(C)[C@H]1CCOc2c(NC(=O)c3csc(=NC4CC4)[n-]3)cccc21 ZINC000516950430 517934261 /nfs/dbraw/zinc/93/42/61/517934261.db2.gz RTGGYBRRBXOCRT-HNNXBMFYSA-N -1 3 358.467 3.355 20 0 FGADHM Cc1cc(C)c(-c2cc(=NC(=O)CNC(=O)c3cccs3)[nH][n-]2)cc1C ZINC000617357294 520454052 /nfs/dbraw/zinc/45/40/52/520454052.db2.gz GTWGLIRJGKEEDX-UHFFFAOYSA-N -1 3 368.462 3.432 20 0 FGADHM CCC(=O)N1CC[C@H](N=c2nc[n-]c3c(-c4ccccc4)nsc32)C1 ZINC000631166662 523431282 /nfs/dbraw/zinc/43/12/82/523431282.db2.gz KUXYPIVSDJYZEZ-ZDUSSCGKSA-N -1 3 353.451 3.176 20 0 FGADHM CN(Cc1ccccc1)[C@H](CNC(=O)N=c1ncn(C(C)(C)C)[n-]1)C1CC1 ZINC000481499091 561234266 /nfs/dbraw/zinc/23/42/66/561234266.db2.gz BLFBEBKZSAKUAZ-QGZVFWFLSA-N -1 3 370.501 3.065 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@H](CO)Cc3ccccc3)nc2)n1 ZINC000486160230 561339686 /nfs/dbraw/zinc/33/96/86/561339686.db2.gz BWFARORPFRCDDE-MRXNPFEDSA-N -1 3 364.449 3.070 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@@H](CO)Cc3ccccc3)nc2)n1 ZINC000486160227 561339688 /nfs/dbraw/zinc/33/96/88/561339688.db2.gz BWFARORPFRCDDE-INIZCTEOSA-N -1 3 364.449 3.070 20 0 FGADHM O=C(COc1ccc(Br)cc1)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000525966844 562261520 /nfs/dbraw/zinc/26/15/20/562261520.db2.gz ZVHJUZCKJOIDER-CYBMUJFWSA-N -1 3 366.215 3.041 20 0 FGADHM COc1ccc(C(=O)N=c2cc(OC(F)F)n(C)[n-]2)c(OCC2CC2)c1 ZINC000472269431 561022476 /nfs/dbraw/zinc/02/24/76/561022476.db2.gz WFDRMCWYKGTPOM-UHFFFAOYSA-N -1 3 367.352 3.071 20 0 FGADHM CN(C)[C@@H](CNC(=O)c1csc(=NC2CC2)[n-]1)c1c(F)cccc1F ZINC000476594015 561123658 /nfs/dbraw/zinc/12/36/58/561123658.db2.gz HXXGPQDAFGEIQK-AWEZNQCLSA-N -1 3 366.437 3.028 20 0 FGADHM COCCOc1ncccc1C(=O)N=c1cc(-c2ccccc2C)[n-][nH]1 ZINC000537118997 562585798 /nfs/dbraw/zinc/58/57/98/562585798.db2.gz PDLWOGGXKKIJGT-UHFFFAOYSA-N -1 3 352.394 3.058 20 0 FGADHM Cc1csc([C@@H]([N-]S(=O)(=O)c2ccc3c(c2)C(=O)CC3)C2CC2)n1 ZINC000655524606 568153353 /nfs/dbraw/zinc/15/33/53/568153353.db2.gz AUWCSLVHXDPQRM-INIZCTEOSA-N -1 3 362.476 3.010 20 0 FGADHM Cc1csc([C@H]([N-]S(=O)(=O)c2ccc3c(c2)C(=O)CC3)C2CC2)n1 ZINC000655524607 568153463 /nfs/dbraw/zinc/15/34/63/568153463.db2.gz AUWCSLVHXDPQRM-MRXNPFEDSA-N -1 3 362.476 3.010 20 0 FGADHM C[C@]1(c2ccccc2)CCCN(C(=O)c2sccc2-c2nnn[n-]2)C1 ZINC000736227813 598826518 /nfs/dbraw/zinc/82/65/18/598826518.db2.gz GCPNYOIIRUHDSW-SFHVURJKSA-N -1 3 353.451 3.122 20 0 FGADHM C[C@]1(c2ccccc2)CCCN(C(=O)c2sccc2-c2nn[n-]n2)C1 ZINC000736227813 598826520 /nfs/dbraw/zinc/82/65/20/598826520.db2.gz GCPNYOIIRUHDSW-SFHVURJKSA-N -1 3 353.451 3.122 20 0 FGADHM S=C(Nc1ccccc1-c1nnn[n-]1)N1CCc2c(Cl)cccc2C1 ZINC000738406296 598828961 /nfs/dbraw/zinc/82/89/61/598828961.db2.gz BYLWRDHHTOGRNR-UHFFFAOYSA-N -1 3 370.869 3.275 20 0 FGADHM S=C(Nc1ccccc1-c1nn[n-]n1)N1CCc2c(Cl)cccc2C1 ZINC000738406296 598828963 /nfs/dbraw/zinc/82/89/63/598828963.db2.gz BYLWRDHHTOGRNR-UHFFFAOYSA-N -1 3 370.869 3.275 20 0 FGADHM Cc1cc2cc(N[C@H](C)C(=O)Nc3cccc(-c4nnn[n-]4)c3)ccc2[nH]1 ZINC000737283365 598836246 /nfs/dbraw/zinc/83/62/46/598836246.db2.gz DHCFNNLFJZMRFN-GFCCVEGCSA-N -1 3 361.409 3.096 20 0 FGADHM Cc1cc2cc(N[C@H](C)C(=O)Nc3cccc(-c4nn[n-]n4)c3)ccc2[nH]1 ZINC000737283365 598836247 /nfs/dbraw/zinc/83/62/47/598836247.db2.gz DHCFNNLFJZMRFN-GFCCVEGCSA-N -1 3 361.409 3.096 20 0 FGADHM C[C@@H]1CC(NC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)C[C@@H](C)C1 ZINC000736223468 598838106 /nfs/dbraw/zinc/83/81/06/598838106.db2.gz ITXFGNZMBJHBRP-STQMWFEESA-N -1 3 359.499 3.041 20 0 FGADHM C[C@@H]1CC(NC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)C[C@@H](C)C1 ZINC000736223468 598838107 /nfs/dbraw/zinc/83/81/07/598838107.db2.gz ITXFGNZMBJHBRP-STQMWFEESA-N -1 3 359.499 3.041 20 0 FGADHM Cc1nn(-c2ccc(-c3nn[n-]n3)cc2)c(NC(=O)c2ccccc2C)c1C ZINC000737414765 598840081 /nfs/dbraw/zinc/84/00/81/598840081.db2.gz DUSDLPCKPHTYLU-UHFFFAOYSA-N -1 3 373.420 3.230 20 0 FGADHM O=C(O[C@@H]1C=CCCC1)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000738213096 598844468 /nfs/dbraw/zinc/84/44/68/598844468.db2.gz FHWFKDGRWRGHCC-CYBMUJFWSA-N -1 3 366.377 3.304 20 0 FGADHM O=C(O[C@@H]1C=CCCC1)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000738213096 598844470 /nfs/dbraw/zinc/84/44/70/598844470.db2.gz FHWFKDGRWRGHCC-CYBMUJFWSA-N -1 3 366.377 3.304 20 0 FGADHM C[C@@H](NC(=O)c1cccc(-c2nnn[n-]2)c1)c1ncc(-c2ccccc2)o1 ZINC000736122046 598848106 /nfs/dbraw/zinc/84/81/06/598848106.db2.gz IDLCMCJIBVLZGE-GFCCVEGCSA-N -1 3 360.377 3.013 20 0 FGADHM C[C@@H](NC(=O)c1cccc(-c2nn[n-]n2)c1)c1ncc(-c2ccccc2)o1 ZINC000736122046 598848107 /nfs/dbraw/zinc/84/81/07/598848107.db2.gz IDLCMCJIBVLZGE-GFCCVEGCSA-N -1 3 360.377 3.013 20 0 FGADHM CC(C)(C)CCCNC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000735602035 598848205 /nfs/dbraw/zinc/84/82/05/598848205.db2.gz KSWHXZWVPNGSOQ-UHFFFAOYSA-N -1 3 359.474 3.358 20 0 FGADHM CC(C)(C)CCCNC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000735602035 598848206 /nfs/dbraw/zinc/84/82/06/598848206.db2.gz KSWHXZWVPNGSOQ-UHFFFAOYSA-N -1 3 359.474 3.358 20 0 FGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1)c1ccccc1N1CCCCC1 ZINC000738232672 598848385 /nfs/dbraw/zinc/84/83/85/598848385.db2.gz NNNFMXPWJREPNX-UHFFFAOYSA-N -1 3 363.421 3.214 20 0 FGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1)c1ccccc1N1CCCCC1 ZINC000738232672 598848386 /nfs/dbraw/zinc/84/83/86/598848386.db2.gz NNNFMXPWJREPNX-UHFFFAOYSA-N -1 3 363.421 3.214 20 0 FGADHM Clc1ccccc1Cc1noc(CNc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737583455 598858782 /nfs/dbraw/zinc/85/87/82/598858782.db2.gz LCBVCIGMZAFFMT-UHFFFAOYSA-N -1 3 367.800 3.106 20 0 FGADHM Cc1ccc2oc(SCCOc3ccc(-c4nn[n-]n4)cc3)nc2c1 ZINC000737381511 598861804 /nfs/dbraw/zinc/86/18/04/598861804.db2.gz XZGIWMUGLGPWTQ-UHFFFAOYSA-N -1 3 353.407 3.487 20 0 FGADHM COC(=O)[C@H](N[C@H](C)c1cccc(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736894000 598878205 /nfs/dbraw/zinc/87/82/05/598878205.db2.gz FCIWZONATNXBSI-BDJLRTHQSA-N -1 3 371.828 3.085 20 0 FGADHM COC(=O)[C@H](N[C@H](C)c1cccc(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736894000 598878207 /nfs/dbraw/zinc/87/82/07/598878207.db2.gz FCIWZONATNXBSI-BDJLRTHQSA-N -1 3 371.828 3.085 20 0 FGADHM COC(=O)[C@H](N[C@@H](C)c1cccc(C)c1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736899690 598886285 /nfs/dbraw/zinc/88/62/85/598886285.db2.gz ZAXWSVKMROERLQ-KBXCAEBGSA-N -1 3 365.437 3.048 20 0 FGADHM COC(=O)[C@H](N[C@@H](C)c1cccc(C)c1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736899690 598886287 /nfs/dbraw/zinc/88/62/87/598886287.db2.gz ZAXWSVKMROERLQ-KBXCAEBGSA-N -1 3 365.437 3.048 20 0 FGADHM CC[C@@H](c1ccncc1)N(CC)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000736396958 598888947 /nfs/dbraw/zinc/88/89/47/598888947.db2.gz QCNACTNRRUYDBG-INIZCTEOSA-N -1 3 351.414 3.267 20 0 FGADHM CC[C@@H](c1ccncc1)N(CC)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000736396958 598888949 /nfs/dbraw/zinc/88/89/49/598888949.db2.gz QCNACTNRRUYDBG-INIZCTEOSA-N -1 3 351.414 3.267 20 0 FGADHM COC(=O)[C@H](OC(=O)C[C@H](C)CC(C)(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736896297 598897736 /nfs/dbraw/zinc/89/77/36/598897736.db2.gz HXSKELXYVRNDKI-BLLLJJGKSA-N -1 3 374.441 3.086 20 0 FGADHM COC(=O)[C@H](OC(=O)C[C@H](C)CC(C)(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736896297 598897737 /nfs/dbraw/zinc/89/77/37/598897737.db2.gz HXSKELXYVRNDKI-BLLLJJGKSA-N -1 3 374.441 3.086 20 0 FGADHM CS[C@H](C(=O)OCc1cc(-c2nnn[n-]2)ccc1F)c1ccccc1 ZINC000737170373 598903980 /nfs/dbraw/zinc/90/39/80/598903980.db2.gz JPCSMOSEHDRYEV-HNNXBMFYSA-N -1 3 358.398 3.153 20 0 FGADHM CS[C@H](C(=O)OCc1cc(-c2nn[n-]n2)ccc1F)c1ccccc1 ZINC000737170373 598903982 /nfs/dbraw/zinc/90/39/82/598903982.db2.gz JPCSMOSEHDRYEV-HNNXBMFYSA-N -1 3 358.398 3.153 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N1CCc2c(Cl)cccc2C1 ZINC000738163665 598905682 /nfs/dbraw/zinc/90/56/82/598905682.db2.gz SBYXQUFAKFUQEG-UHFFFAOYSA-N -1 3 372.791 3.249 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N1CCc2c(Cl)cccc2C1 ZINC000738163665 598905685 /nfs/dbraw/zinc/90/56/85/598905685.db2.gz SBYXQUFAKFUQEG-UHFFFAOYSA-N -1 3 372.791 3.249 20 0 FGADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCC(C)(C)c1cccs1 ZINC000736812701 598921908 /nfs/dbraw/zinc/92/19/08/598921908.db2.gz GGVVZJITSGXHET-UHFFFAOYSA-N -1 3 370.482 3.047 20 0 FGADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCC(C)(C)c1cccs1 ZINC000736812701 598921910 /nfs/dbraw/zinc/92/19/10/598921910.db2.gz GGVVZJITSGXHET-UHFFFAOYSA-N -1 3 370.482 3.047 20 0 FGADHM Cc1cc(OC(F)F)c(C(=O)OCc2cccc(-c3nnn[n-]3)c2)s1 ZINC000737279770 598923732 /nfs/dbraw/zinc/92/37/32/598923732.db2.gz QHCOHFVUWKSNNP-UHFFFAOYSA-N -1 3 366.349 3.195 20 0 FGADHM Cc1cc(OC(F)F)c(C(=O)OCc2cccc(-c3nn[n-]n3)c2)s1 ZINC000737279770 598923733 /nfs/dbraw/zinc/92/37/33/598923733.db2.gz QHCOHFVUWKSNNP-UHFFFAOYSA-N -1 3 366.349 3.195 20 0 FGADHM S=C(Nc1ccccc1-c1nnn[n-]1)NC1(c2cccc(Cl)c2)CC1 ZINC000738407987 598940681 /nfs/dbraw/zinc/94/06/81/598940681.db2.gz INXJZFLPJSFWSJ-UHFFFAOYSA-N -1 3 370.869 3.496 20 0 FGADHM S=C(Nc1ccccc1-c1nn[n-]n1)NC1(c2cccc(Cl)c2)CC1 ZINC000738407987 598940683 /nfs/dbraw/zinc/94/06/83/598940683.db2.gz INXJZFLPJSFWSJ-UHFFFAOYSA-N -1 3 370.869 3.496 20 0 FGADHM Cc1c(NCc2nc(-c3ccc(F)c(F)c3)no2)cccc1-c1nnn[n-]1 ZINC000822122759 607255888 /nfs/dbraw/zinc/25/58/88/607255888.db2.gz PZDDRKZUBUAUCY-UHFFFAOYSA-N -1 3 369.335 3.115 20 0 FGADHM Cc1c(NCc2nc(-c3ccc(F)c(F)c3)no2)cccc1-c1nn[n-]n1 ZINC000822122759 607255889 /nfs/dbraw/zinc/25/58/89/607255889.db2.gz PZDDRKZUBUAUCY-UHFFFAOYSA-N -1 3 369.335 3.115 20 0 FGADHM c1cc(COc2ccc(NC[C@@H]3CCCOC3)cc2)cc(-c2nnn[n-]2)c1 ZINC000823751427 607256003 /nfs/dbraw/zinc/25/60/03/607256003.db2.gz JPEYSUGABMHCEI-INIZCTEOSA-N -1 3 365.437 3.284 20 0 FGADHM c1cc(COc2ccc(NC[C@@H]3CCCOC3)cc2)cc(-c2nn[n-]n2)c1 ZINC000823751427 607256004 /nfs/dbraw/zinc/25/60/04/607256004.db2.gz JPEYSUGABMHCEI-INIZCTEOSA-N -1 3 365.437 3.284 20 0 FGADHM Cc1c(COC(=O)COc2cccc(-c3nnn[n-]3)c2)oc2ccccc12 ZINC000737216809 598974514 /nfs/dbraw/zinc/97/45/14/598974514.db2.gz YWFYYVVVWIZMBH-UHFFFAOYSA-N -1 3 364.361 3.044 20 0 FGADHM Cc1c(COC(=O)COc2cccc(-c3nn[n-]n3)c2)oc2ccccc12 ZINC000737216809 598974516 /nfs/dbraw/zinc/97/45/16/598974516.db2.gz YWFYYVVVWIZMBH-UHFFFAOYSA-N -1 3 364.361 3.044 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OCCOc1cc(C)cc(C)c1C ZINC000737033608 598978141 /nfs/dbraw/zinc/97/81/41/598978141.db2.gz ZCPLSEWFFKPDDV-UHFFFAOYSA-N -1 3 354.410 3.258 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OCCOc1cc(C)cc(C)c1C ZINC000737033608 598978142 /nfs/dbraw/zinc/97/81/42/598978142.db2.gz ZCPLSEWFFKPDDV-UHFFFAOYSA-N -1 3 354.410 3.258 20 0 FGADHM C[C@@H](CCC1CCCCC1)NC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000735986311 599007897 /nfs/dbraw/zinc/00/78/97/599007897.db2.gz REOLMSKVYLKGNW-GJZGRUSLSA-N -1 3 371.485 3.499 20 0 FGADHM C[C@@H](CCC1CCCCC1)NC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000735986311 599007900 /nfs/dbraw/zinc/00/79/00/599007900.db2.gz REOLMSKVYLKGNW-GJZGRUSLSA-N -1 3 371.485 3.499 20 0 FGADHM CC(C)CN(C(=O)C[C@@H](C)c1cccnc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000735819095 599026406 /nfs/dbraw/zinc/02/64/06/599026406.db2.gz RSINAUVOENKJCR-OAHLLOKOSA-N -1 3 364.453 3.445 20 0 FGADHM CC(C)CN(C(=O)C[C@@H](C)c1cccnc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000735819095 599026409 /nfs/dbraw/zinc/02/64/09/599026409.db2.gz RSINAUVOENKJCR-OAHLLOKOSA-N -1 3 364.453 3.445 20 0 FGADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)N1CCCC[C@H]1c1nccs1 ZINC000737853728 599030567 /nfs/dbraw/zinc/03/05/67/599030567.db2.gz UFPJAGSZDCFVRP-HNNXBMFYSA-N -1 3 368.466 3.010 20 0 FGADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)N1CCCC[C@H]1c1nccs1 ZINC000737853728 599030570 /nfs/dbraw/zinc/03/05/70/599030570.db2.gz UFPJAGSZDCFVRP-HNNXBMFYSA-N -1 3 368.466 3.010 20 0 FGADHM C[C@@H]1CN(c2cccc(F)c2-c2nnn[n-]2)C[C@H](c2ccc(F)cc2)O1 ZINC000820775545 599039846 /nfs/dbraw/zinc/03/98/46/599039846.db2.gz IWAZGTWEZXPCSC-BDJLRTHQSA-N -1 3 357.364 3.111 20 0 FGADHM C[C@@H]1CN(c2cccc(F)c2-c2nn[n-]n2)C[C@H](c2ccc(F)cc2)O1 ZINC000820775545 599039847 /nfs/dbraw/zinc/03/98/47/599039847.db2.gz IWAZGTWEZXPCSC-BDJLRTHQSA-N -1 3 357.364 3.111 20 0 FGADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(N2CCC[C@@H](C(F)(F)F)C2)n1 ZINC000737631551 599040253 /nfs/dbraw/zinc/04/02/53/599040253.db2.gz GLJGEIMRKHKISC-SSDOTTSWSA-N -1 3 366.269 3.059 20 0 FGADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(N2CCC[C@@H](C(F)(F)F)C2)n1 ZINC000737631551 599040256 /nfs/dbraw/zinc/04/02/56/599040256.db2.gz GLJGEIMRKHKISC-SSDOTTSWSA-N -1 3 366.269 3.059 20 0 FGADHM C[C@@H]1CN(c2nc3c(cc2-c2nnn[n-]2)CCC3)CC[C@H]1c1ccccc1 ZINC000820776813 599050910 /nfs/dbraw/zinc/05/09/10/599050910.db2.gz NHKWZEHCXAQCBD-RHSMWYFYSA-N -1 3 360.465 3.380 20 0 FGADHM C[C@@H]1CN(c2nc3c(cc2-c2nn[n-]n2)CCC3)CC[C@H]1c1ccccc1 ZINC000820776813 599050913 /nfs/dbraw/zinc/05/09/13/599050913.db2.gz NHKWZEHCXAQCBD-RHSMWYFYSA-N -1 3 360.465 3.380 20 0 FGADHM CC(C)c1cc(CNc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)on1 ZINC000735923874 599055895 /nfs/dbraw/zinc/05/58/95/599055895.db2.gz XZBTXHPMLDJKHC-UHFFFAOYSA-N -1 3 353.308 3.004 20 0 FGADHM CC(C)c1cc(CNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)on1 ZINC000735923874 599055898 /nfs/dbraw/zinc/05/58/98/599055898.db2.gz XZBTXHPMLDJKHC-UHFFFAOYSA-N -1 3 353.308 3.004 20 0 FGADHM Cc1ccc2cccc(C(=O)OCc3ccc(-c4nnn[n-]4)cc3F)c2n1 ZINC000737375890 599058373 /nfs/dbraw/zinc/05/83/73/599058373.db2.gz YFAVAMJZBXJIDW-UHFFFAOYSA-N -1 3 363.352 3.219 20 0 FGADHM Cc1ccc2cccc(C(=O)OCc3ccc(-c4nn[n-]n4)cc3F)c2n1 ZINC000737375890 599058376 /nfs/dbraw/zinc/05/83/76/599058376.db2.gz YFAVAMJZBXJIDW-UHFFFAOYSA-N -1 3 363.352 3.219 20 0 FGADHM CC[C@@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(=O)NCc1ccccc1 ZINC000736391759 599063848 /nfs/dbraw/zinc/06/38/48/599063848.db2.gz NRJXVWPBINNIAU-OAHLLOKOSA-N -1 3 371.441 3.193 20 0 FGADHM CC[C@@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(=O)NCc1ccccc1 ZINC000736391759 599063851 /nfs/dbraw/zinc/06/38/51/599063851.db2.gz NRJXVWPBINNIAU-OAHLLOKOSA-N -1 3 371.441 3.193 20 0 FGADHM Cc1cccc2c(CCC(=O)N(C)Cc3ccc(-c4nnn[n-]4)cc3)c[nH]c21 ZINC000737410354 599068952 /nfs/dbraw/zinc/06/89/52/599068952.db2.gz RTDDQQGGQTYPLA-UHFFFAOYSA-N -1 3 374.448 3.248 20 0 FGADHM Cc1cccc2c(CCC(=O)N(C)Cc3ccc(-c4nn[n-]n4)cc3)c[nH]c21 ZINC000737410354 599068954 /nfs/dbraw/zinc/06/89/54/599068954.db2.gz RTDDQQGGQTYPLA-UHFFFAOYSA-N -1 3 374.448 3.248 20 0 FGADHM CN(C(=O)[C@H]1C[C@@H]1c1cccc(F)c1F)c1ccc(-c2nnn[n-]2)cc1F ZINC000736733120 599073500 /nfs/dbraw/zinc/07/35/00/599073500.db2.gz QVQMGWOLCCBRIA-NEPJUHHUSA-N -1 3 373.338 3.051 20 0 FGADHM CN(C(=O)[C@H]1C[C@@H]1c1cccc(F)c1F)c1ccc(-c2nn[n-]n2)cc1F ZINC000736733120 599073502 /nfs/dbraw/zinc/07/35/02/599073502.db2.gz QVQMGWOLCCBRIA-NEPJUHHUSA-N -1 3 373.338 3.051 20 0 FGADHM C[C@@H]1CCCN(C(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)[C@H]1C ZINC000736267148 599082341 /nfs/dbraw/zinc/08/23/41/599082341.db2.gz QHLOUOJMCAKSHS-CABCVRRESA-N -1 3 357.458 3.063 20 0 FGADHM C[C@@H]1CCCN(C(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)[C@H]1C ZINC000736267148 599082344 /nfs/dbraw/zinc/08/23/44/599082344.db2.gz QHLOUOJMCAKSHS-CABCVRRESA-N -1 3 357.458 3.063 20 0 FGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N[C@@H]1C[C@H]1C1CCCCC1 ZINC000737943689 599096195 /nfs/dbraw/zinc/09/61/95/599096195.db2.gz UWYRMFHVHPNCJY-JKSUJKDBSA-N -1 3 357.483 3.044 20 0 FGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N[C@@H]1C[C@H]1C1CCCCC1 ZINC000737943689 599096197 /nfs/dbraw/zinc/09/61/97/599096197.db2.gz UWYRMFHVHPNCJY-JKSUJKDBSA-N -1 3 357.483 3.044 20 0 FGADHM O[C@@H](C[C@@H]1CCCN1c1ccc(F)cc1-c1nnn[n-]1)c1ccccc1 ZINC000823672683 599106260 /nfs/dbraw/zinc/10/62/60/599106260.db2.gz FXTHEULUQSUFAM-YJBOKZPZSA-N -1 3 353.401 3.098 20 0 FGADHM O[C@@H](C[C@@H]1CCCN1c1ccc(F)cc1-c1nn[n-]n1)c1ccccc1 ZINC000823672683 599106262 /nfs/dbraw/zinc/10/62/62/599106262.db2.gz FXTHEULUQSUFAM-YJBOKZPZSA-N -1 3 353.401 3.098 20 0 FGADHM O[C@H](C[C@@H]1CCCN1c1ccc(F)cc1-c1nnn[n-]1)c1ccccc1 ZINC000823672679 599106316 /nfs/dbraw/zinc/10/63/16/599106316.db2.gz FXTHEULUQSUFAM-MAUKXSAKSA-N -1 3 353.401 3.098 20 0 FGADHM O[C@H](C[C@@H]1CCCN1c1ccc(F)cc1-c1nn[n-]n1)c1ccccc1 ZINC000823672679 599106317 /nfs/dbraw/zinc/10/63/17/599106317.db2.gz FXTHEULUQSUFAM-MAUKXSAKSA-N -1 3 353.401 3.098 20 0 FGADHM Cc1cccc2oc(CCNc3c(F)cc(-c4nnn[n-]4)cc3F)nc21 ZINC000822341325 599111898 /nfs/dbraw/zinc/11/18/98/599111898.db2.gz VZAYBQOFQALCTG-UHFFFAOYSA-N -1 3 356.336 3.249 20 0 FGADHM Cc1cccc2oc(CCNc3c(F)cc(-c4nn[n-]n4)cc3F)nc21 ZINC000822341325 599111900 /nfs/dbraw/zinc/11/19/00/599111900.db2.gz VZAYBQOFQALCTG-UHFFFAOYSA-N -1 3 356.336 3.249 20 0 FGADHM CC(C)(C)c1ncc(C=CC(=O)Nc2cccc(-c3nnn[n-]3)c2)s1 ZINC000079379924 599131475 /nfs/dbraw/zinc/13/14/75/599131475.db2.gz MZRVEYAMZHAJCC-BQYQJAHWSA-N -1 3 354.439 3.273 20 0 FGADHM CC(C)(C)c1ncc(C=CC(=O)Nc2cccc(-c3nn[n-]n3)c2)s1 ZINC000079379924 599131477 /nfs/dbraw/zinc/13/14/77/599131477.db2.gz MZRVEYAMZHAJCC-BQYQJAHWSA-N -1 3 354.439 3.273 20 0 FGADHM Cc1ccc([C@H](C)C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)o1 ZINC000822227251 599137253 /nfs/dbraw/zinc/13/72/53/599137253.db2.gz AYUHSCWBMIMQSZ-ZDUSSCGKSA-N -1 3 351.410 3.063 20 0 FGADHM Cc1ccc([C@H](C)C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)o1 ZINC000822227251 599137255 /nfs/dbraw/zinc/13/72/55/599137255.db2.gz AYUHSCWBMIMQSZ-ZDUSSCGKSA-N -1 3 351.410 3.063 20 0 FGADHM C[C@H](NC(=O)[C@H]1SCCc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000820321503 599139560 /nfs/dbraw/zinc/13/95/60/599139560.db2.gz HJQFWVQCVLBKAG-SJCJKPOMSA-N -1 3 365.462 3.075 20 0 FGADHM C[C@H](NC(=O)[C@H]1SCCc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000820321503 599139562 /nfs/dbraw/zinc/13/95/62/599139562.db2.gz HJQFWVQCVLBKAG-SJCJKPOMSA-N -1 3 365.462 3.075 20 0 FGADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@]1(C)CCc2ccccc2C1 ZINC000821612218 599140004 /nfs/dbraw/zinc/14/00/04/599140004.db2.gz NAIQCHTWBJJSID-OAQYLSRUSA-N -1 3 361.449 3.020 20 0 FGADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@]1(C)CCc2ccccc2C1 ZINC000821612218 599140006 /nfs/dbraw/zinc/14/00/06/599140006.db2.gz NAIQCHTWBJJSID-OAQYLSRUSA-N -1 3 361.449 3.020 20 0 FGADHM CCN(C(=O)Cc1cc(F)ccc1F)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821154753 599143358 /nfs/dbraw/zinc/14/33/58/599143358.db2.gz QYTMOFFYAHSKOW-GFCCVEGCSA-N -1 3 371.391 3.297 20 0 FGADHM CCN(C(=O)Cc1cc(F)ccc1F)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821154753 599143361 /nfs/dbraw/zinc/14/33/61/599143361.db2.gz QYTMOFFYAHSKOW-GFCCVEGCSA-N -1 3 371.391 3.297 20 0 FGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Cc1cc(F)ccc1F ZINC000820115986 599145974 /nfs/dbraw/zinc/14/59/74/599145974.db2.gz DFFJLLLMVZFNHB-UHFFFAOYSA-N -1 3 371.391 3.125 20 0 FGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Cc1cc(F)ccc1F ZINC000820115986 599145976 /nfs/dbraw/zinc/14/59/76/599145976.db2.gz DFFJLLLMVZFNHB-UHFFFAOYSA-N -1 3 371.391 3.125 20 0 FGADHM O=C(OCC1CC1)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000738220208 599153102 /nfs/dbraw/zinc/15/31/02/599153102.db2.gz QCXKNJAYBOBTKO-UHFFFAOYSA-N -1 3 350.378 3.013 20 0 FGADHM O=C(OCC1CC1)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000738220208 599153105 /nfs/dbraw/zinc/15/31/05/599153105.db2.gz QCXKNJAYBOBTKO-UHFFFAOYSA-N -1 3 350.378 3.013 20 0 FGADHM COC[C@H](C)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000821682353 599156103 /nfs/dbraw/zinc/15/61/03/599156103.db2.gz CHCOQGJPEWBJGV-AWEZNQCLSA-N -1 3 353.426 3.201 20 0 FGADHM COC[C@H](C)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000821682353 599156106 /nfs/dbraw/zinc/15/61/06/599156106.db2.gz CHCOQGJPEWBJGV-AWEZNQCLSA-N -1 3 353.426 3.201 20 0 FGADHM Cc1cccc(C2(C(=O)NCc3cc(-c4nnn[n-]4)ccc3F)CCC2)c1 ZINC000822299896 599161981 /nfs/dbraw/zinc/16/19/81/599161981.db2.gz YQMZBRZNDNZYGK-UHFFFAOYSA-N -1 3 365.412 3.052 20 0 FGADHM Cc1cccc(C2(C(=O)NCc3cc(-c4nn[n-]n4)ccc3F)CCC2)c1 ZINC000822299896 599161982 /nfs/dbraw/zinc/16/19/82/599161982.db2.gz YQMZBRZNDNZYGK-UHFFFAOYSA-N -1 3 365.412 3.052 20 0 FGADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)N1CCCC[C@@H]1c1ccco1 ZINC000737851859 599165987 /nfs/dbraw/zinc/16/59/87/599165987.db2.gz KUMAUIGWVDMPBA-MRXNPFEDSA-N -1 3 351.410 3.146 20 0 FGADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)N1CCCC[C@@H]1c1ccco1 ZINC000737851859 599165989 /nfs/dbraw/zinc/16/59/89/599165989.db2.gz KUMAUIGWVDMPBA-MRXNPFEDSA-N -1 3 351.410 3.146 20 0 FGADHM Cc1c2cccc(C)c2oc1C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822020761 599171700 /nfs/dbraw/zinc/17/17/00/599171700.db2.gz IJOMSJLLSUDNFZ-UHFFFAOYSA-N -1 3 365.368 3.299 20 0 FGADHM Cc1c2cccc(C)c2oc1C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822020761 599171703 /nfs/dbraw/zinc/17/17/03/599171703.db2.gz IJOMSJLLSUDNFZ-UHFFFAOYSA-N -1 3 365.368 3.299 20 0 FGADHM c1ccc(-c2ccc(-c3nnn[n-]3)c(SC[C@H]3CCCOC3)n2)cc1 ZINC000823766899 607259351 /nfs/dbraw/zinc/25/93/51/607259351.db2.gz LJAZATXRNFDZJA-ZDUSSCGKSA-N -1 3 353.451 3.447 20 0 FGADHM c1ccc(-c2ccc(-c3nn[n-]n3)c(SC[C@H]3CCCOC3)n2)cc1 ZINC000823766899 607259352 /nfs/dbraw/zinc/25/93/52/607259352.db2.gz LJAZATXRNFDZJA-ZDUSSCGKSA-N -1 3 353.451 3.447 20 0 FGADHM CC[C@@H](C)NC(=O)[C@@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(C)C ZINC000736328438 599172808 /nfs/dbraw/zinc/17/28/08/599172808.db2.gz WXLZGVAHWYNJFB-YGRLFVJLSA-N -1 3 351.451 3.037 20 0 FGADHM CC[C@@H](C)NC(=O)[C@@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(C)C ZINC000736328438 599172810 /nfs/dbraw/zinc/17/28/10/599172810.db2.gz WXLZGVAHWYNJFB-YGRLFVJLSA-N -1 3 351.451 3.037 20 0 FGADHM S=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CCC[C@H]2CCC[C@H]21 ZINC000738400554 599176274 /nfs/dbraw/zinc/17/62/74/599176274.db2.gz GKDBPVDBUBTPEW-QMTHXVAHSA-N -1 3 362.890 3.481 20 0 FGADHM S=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CCC[C@H]2CCC[C@H]21 ZINC000738400554 599176276 /nfs/dbraw/zinc/17/62/76/599176276.db2.gz GKDBPVDBUBTPEW-QMTHXVAHSA-N -1 3 362.890 3.481 20 0 FGADHM C[C@H]1CCc2c(sc(NC(=O)[C@H]3Cc4ccccc43)c2-c2nnn[n-]2)C1 ZINC000736281830 599177178 /nfs/dbraw/zinc/17/71/78/599177178.db2.gz XSOJIGGLEPJZKT-HZMBPMFUSA-N -1 3 365.462 3.331 20 0 FGADHM C[C@H]1CCc2c(sc(NC(=O)[C@H]3Cc4ccccc43)c2-c2nn[n-]n2)C1 ZINC000736281830 599177181 /nfs/dbraw/zinc/17/71/81/599177181.db2.gz XSOJIGGLEPJZKT-HZMBPMFUSA-N -1 3 365.462 3.331 20 0 FGADHM Cc1ccc(SCCC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000822266789 599179174 /nfs/dbraw/zinc/17/91/74/599179174.db2.gz ISHPBOICGHTNGV-UHFFFAOYSA-N -1 3 371.441 3.113 20 0 FGADHM Cc1ccc(SCCC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000822266789 599179177 /nfs/dbraw/zinc/17/91/77/599179177.db2.gz ISHPBOICGHTNGV-UHFFFAOYSA-N -1 3 371.441 3.113 20 0 FGADHM O=C(Cc1ccc2ccccc2c1)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000823087929 599180014 /nfs/dbraw/zinc/18/00/14/599180014.db2.gz UMGIYIAFNJBVMQ-UHFFFAOYSA-N -1 3 361.380 3.018 20 0 FGADHM O=C(Cc1ccc2ccccc2c1)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000823087929 599180016 /nfs/dbraw/zinc/18/00/16/599180016.db2.gz UMGIYIAFNJBVMQ-UHFFFAOYSA-N -1 3 361.380 3.018 20 0 FGADHM Cc1ccc([C@@H]2CCCN2C(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000737329635 599183838 /nfs/dbraw/zinc/18/38/38/599183838.db2.gz HGCBOGGBAGPDBN-BBRMVZONSA-N -1 3 366.425 3.376 20 0 FGADHM Cc1ccc([C@@H]2CCCN2C(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000737329635 599183840 /nfs/dbraw/zinc/18/38/40/599183840.db2.gz HGCBOGGBAGPDBN-BBRMVZONSA-N -1 3 366.425 3.376 20 0 FGADHM Cc1ccncc1C(=O)N(Cc1ccccc1)c1ccccc1-c1nnn[n-]1 ZINC000737442734 599185678 /nfs/dbraw/zinc/18/56/78/599185678.db2.gz GRSMTFJZPKUJEI-UHFFFAOYSA-N -1 3 370.416 3.417 20 0 FGADHM Cc1ccncc1C(=O)N(Cc1ccccc1)c1ccccc1-c1nn[n-]n1 ZINC000737442734 599185679 /nfs/dbraw/zinc/18/56/79/599185679.db2.gz GRSMTFJZPKUJEI-UHFFFAOYSA-N -1 3 370.416 3.417 20 0 FGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C[C@@H](C)n1cccc1 ZINC000735873955 599199253 /nfs/dbraw/zinc/19/92/53/599199253.db2.gz FGCVIVHJZHVZTI-OAHLLOKOSA-N -1 3 352.442 3.057 20 0 FGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C[C@@H](C)n1cccc1 ZINC000735873955 599199254 /nfs/dbraw/zinc/19/92/54/599199254.db2.gz FGCVIVHJZHVZTI-OAHLLOKOSA-N -1 3 352.442 3.057 20 0 FGADHM O=C(c1cccc(-c2nnn[n-]2)c1)N1CC[C@@H](CSc2ccccc2)C1 ZINC000823488418 599200138 /nfs/dbraw/zinc/20/01/38/599200138.db2.gz LYZIUKHDCMTJIV-CQSZACIVSA-N -1 3 365.462 3.121 20 0 FGADHM O=C(c1cccc(-c2nn[n-]n2)c1)N1CC[C@@H](CSc2ccccc2)C1 ZINC000823488418 599200140 /nfs/dbraw/zinc/20/01/40/599200140.db2.gz LYZIUKHDCMTJIV-CQSZACIVSA-N -1 3 365.462 3.121 20 0 FGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N1CC[C@H]1c1cccc(F)c1 ZINC000823066437 599204994 /nfs/dbraw/zinc/20/49/94/599204994.db2.gz ZGRQGDVZUMVGOA-INIZCTEOSA-N -1 3 369.425 3.072 20 0 FGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N1CC[C@H]1c1cccc(F)c1 ZINC000823066437 599204996 /nfs/dbraw/zinc/20/49/96/599204996.db2.gz ZGRQGDVZUMVGOA-INIZCTEOSA-N -1 3 369.425 3.072 20 0 FGADHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)N1CCCC2(C1)CCCCCC2 ZINC000823009356 599202945 /nfs/dbraw/zinc/20/29/45/599202945.db2.gz DSZLTCRXALCMEN-UHFFFAOYSA-N -1 3 368.485 3.242 20 0 FGADHM CSCC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000821956367 599218707 /nfs/dbraw/zinc/21/87/07/599218707.db2.gz NAXCVBWWKAGCES-UHFFFAOYSA-N -1 3 359.386 3.100 20 0 FGADHM CSCC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000821956367 599218710 /nfs/dbraw/zinc/21/87/10/599218710.db2.gz NAXCVBWWKAGCES-UHFFFAOYSA-N -1 3 359.386 3.100 20 0 FGADHM C[C@H]1C[C@H]1C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000820669143 599219962 /nfs/dbraw/zinc/21/99/62/599219962.db2.gz YXYOYZQGUPOYTR-GXFFZTMASA-N -1 3 353.357 3.393 20 0 FGADHM C[C@H]1C[C@H]1C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000820669143 599219965 /nfs/dbraw/zinc/21/99/65/599219965.db2.gz YXYOYZQGUPOYTR-GXFFZTMASA-N -1 3 353.357 3.393 20 0 FGADHM Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000822232993 599221639 /nfs/dbraw/zinc/22/16/39/599221639.db2.gz GDCKRUSIPVPPPC-BLLLJJGKSA-N -1 3 351.410 3.382 20 0 FGADHM Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822232993 599221642 /nfs/dbraw/zinc/22/16/42/599221642.db2.gz GDCKRUSIPVPPPC-BLLLJJGKSA-N -1 3 351.410 3.382 20 0 FGADHM CC(C)Oc1ccc(OC(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000735912932 599223392 /nfs/dbraw/zinc/22/33/92/599223392.db2.gz JVROAMXQERUFQJ-CYBMUJFWSA-N -1 3 368.393 3.027 20 0 FGADHM CC(C)Oc1ccc(OC(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000735912932 599223394 /nfs/dbraw/zinc/22/33/94/599223394.db2.gz JVROAMXQERUFQJ-CYBMUJFWSA-N -1 3 368.393 3.027 20 0 FGADHM O=C(Nc1ccc(Br)c(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738150460 599225675 /nfs/dbraw/zinc/22/56/75/599225675.db2.gz MKZKGAXYYXDCPN-UHFFFAOYSA-N -1 3 362.162 3.021 20 0 FGADHM O=C(Nc1ccc(Br)c(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738150460 599225678 /nfs/dbraw/zinc/22/56/78/599225678.db2.gz MKZKGAXYYXDCPN-UHFFFAOYSA-N -1 3 362.162 3.021 20 0 FGADHM COc1ccc(Cl)c(NC(=S)NCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000821824100 599226231 /nfs/dbraw/zinc/22/62/31/599226231.db2.gz GOUSWXMHSXOQLK-UHFFFAOYSA-N -1 3 374.857 3.015 20 0 FGADHM COc1ccc(Cl)c(NC(=S)NCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000821824100 599226232 /nfs/dbraw/zinc/22/62/32/599226232.db2.gz GOUSWXMHSXOQLK-UHFFFAOYSA-N -1 3 374.857 3.015 20 0 FGADHM CC(C)Oc1ccc(O[C@@H](C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735913717 599232546 /nfs/dbraw/zinc/23/25/46/599232546.db2.gz PFFGLYABKXGYGA-ZDUSSCGKSA-N -1 3 367.409 3.060 20 0 FGADHM CC(C)Oc1ccc(O[C@@H](C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735913717 599232547 /nfs/dbraw/zinc/23/25/47/599232547.db2.gz PFFGLYABKXGYGA-ZDUSSCGKSA-N -1 3 367.409 3.060 20 0 FGADHM C[C@@H](CNC(=S)Nc1ccccc1-c1nnn[n-]1)Sc1ccccc1 ZINC000820274136 599227823 /nfs/dbraw/zinc/22/78/23/599227823.db2.gz DSYJJICJQOLZLB-LBPRGKRZSA-N -1 3 370.507 3.334 20 0 FGADHM C[C@@H](CNC(=S)Nc1ccccc1-c1nn[n-]n1)Sc1ccccc1 ZINC000820274136 599227826 /nfs/dbraw/zinc/22/78/26/599227826.db2.gz DSYJJICJQOLZLB-LBPRGKRZSA-N -1 3 370.507 3.334 20 0 FGADHM CSc1cccc(NC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000821983116 599236237 /nfs/dbraw/zinc/23/62/37/599236237.db2.gz DUXCQFNKVVSKHM-LLVKDONJSA-N -1 3 354.439 3.471 20 0 FGADHM CSc1cccc(NC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000821983116 599236238 /nfs/dbraw/zinc/23/62/38/599236238.db2.gz DUXCQFNKVVSKHM-LLVKDONJSA-N -1 3 354.439 3.471 20 0 FGADHM Cc1c(NC(=O)[C@H]2C[C@@H]2c2cc(F)ccc2F)cccc1-c1nnn[n-]1 ZINC000822060723 607267144 /nfs/dbraw/zinc/26/71/44/607267144.db2.gz IGHDHDYQUILLTL-OCCSQVGLSA-N -1 3 355.348 3.196 20 0 FGADHM Cc1c(NC(=O)[C@H]2C[C@@H]2c2cc(F)ccc2F)cccc1-c1nn[n-]n1 ZINC000822060723 607267145 /nfs/dbraw/zinc/26/71/45/607267145.db2.gz IGHDHDYQUILLTL-OCCSQVGLSA-N -1 3 355.348 3.196 20 0 FGADHM C[C@@H]1CC[C@@H](C)N(C(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000820686143 599238531 /nfs/dbraw/zinc/23/85/31/599238531.db2.gz XMIHGIRMNDSWSG-NXEZZACHSA-N -1 3 350.879 3.337 20 0 FGADHM C[C@@H]1CC[C@@H](C)N(C(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000820686143 599238534 /nfs/dbraw/zinc/23/85/34/599238534.db2.gz XMIHGIRMNDSWSG-NXEZZACHSA-N -1 3 350.879 3.337 20 0 FGADHM Cc1c(NC(=O)CCCOc2ccc(F)cc2)cccc1-c1nnn[n-]1 ZINC000822067994 607267774 /nfs/dbraw/zinc/26/77/74/607267774.db2.gz MNITYICTHBEINS-UHFFFAOYSA-N -1 3 355.373 3.112 20 0 FGADHM Cc1c(NC(=O)CCCOc2ccc(F)cc2)cccc1-c1nn[n-]n1 ZINC000822067994 607267775 /nfs/dbraw/zinc/26/77/75/607267775.db2.gz MNITYICTHBEINS-UHFFFAOYSA-N -1 3 355.373 3.112 20 0 FGADHM Cc1c(NC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)cccc1-c1nnn[n-]1 ZINC000822061545 607267988 /nfs/dbraw/zinc/26/79/88/607267988.db2.gz PTZIFQHOYZEGBI-QWRGUYRKSA-N -1 3 353.348 3.482 20 0 FGADHM Cc1c(NC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)cccc1-c1nn[n-]n1 ZINC000822061545 607267989 /nfs/dbraw/zinc/26/79/89/607267989.db2.gz PTZIFQHOYZEGBI-QWRGUYRKSA-N -1 3 353.348 3.482 20 0 FGADHM CC(C)c1ccc(NC(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000820192566 599240432 /nfs/dbraw/zinc/24/04/32/599240432.db2.gz UCCUEMLUFINWEW-UHFFFAOYSA-N -1 3 366.425 3.191 20 0 FGADHM CC(C)c1ccccc1NC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000820196832 599242281 /nfs/dbraw/zinc/24/22/81/599242281.db2.gz DKCPFALMWYWKHP-UHFFFAOYSA-N -1 3 366.425 3.191 20 0 FGADHM CS[C@@H]1CCC[C@@H](NC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000737171408 599242558 /nfs/dbraw/zinc/24/25/58/599242558.db2.gz OSICBQIBQRBFAR-MWLCHTKSSA-N -1 3 366.878 3.316 20 0 FGADHM CS[C@@H]1CCC[C@@H](NC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000737171408 599242559 /nfs/dbraw/zinc/24/25/59/599242559.db2.gz OSICBQIBQRBFAR-MWLCHTKSSA-N -1 3 366.878 3.316 20 0 FGADHM Cc1c(NC(=O)c2cc(-c3ccc(F)cc3)on2)cccc1-c1nnn[n-]1 ZINC000822102633 607269200 /nfs/dbraw/zinc/26/92/00/607269200.db2.gz CBAYBQWVBTWGMJ-UHFFFAOYSA-N -1 3 364.340 3.222 20 0 FGADHM Cc1c(NC(=O)c2cc(-c3ccc(F)cc3)on2)cccc1-c1nn[n-]n1 ZINC000822102633 607269201 /nfs/dbraw/zinc/26/92/01/607269201.db2.gz CBAYBQWVBTWGMJ-UHFFFAOYSA-N -1 3 364.340 3.222 20 0 FGADHM COc1ccc([C@H](C)CC(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1 ZINC000821777704 607269434 /nfs/dbraw/zinc/26/94/34/607269434.db2.gz LNTIWIUPNRZCQH-GFCCVEGCSA-N -1 3 351.410 3.316 20 0 FGADHM COc1ccc([C@H](C)CC(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1 ZINC000821777704 607269435 /nfs/dbraw/zinc/26/94/35/607269435.db2.gz LNTIWIUPNRZCQH-GFCCVEGCSA-N -1 3 351.410 3.316 20 0 FGADHM CCC(CC)c1cc(CNC(=O)Nc2cccc(-c3nnn[n-]3)c2)on1 ZINC000820897686 599245671 /nfs/dbraw/zinc/24/56/71/599245671.db2.gz LNMPIBKHVLPZPS-UHFFFAOYSA-N -1 3 355.402 3.080 20 0 FGADHM CCC(CC)c1cc(CNC(=O)Nc2cccc(-c3nn[n-]n3)c2)on1 ZINC000820897686 599245672 /nfs/dbraw/zinc/24/56/72/599245672.db2.gz LNMPIBKHVLPZPS-UHFFFAOYSA-N -1 3 355.402 3.080 20 0 FGADHM C[C@]1(c2ccccc2)C[C@@H]1NC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820633833 599249883 /nfs/dbraw/zinc/24/98/83/599249883.db2.gz DUDKQFKCXGKOPF-MAUKXSAKSA-N -1 3 368.828 3.372 20 0 FGADHM C[C@]1(c2ccccc2)C[C@@H]1NC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820633833 599249885 /nfs/dbraw/zinc/24/98/85/599249885.db2.gz DUDKQFKCXGKOPF-MAUKXSAKSA-N -1 3 368.828 3.372 20 0 FGADHM Cc1c(NC(=O)NC2(c3ccccc3F)CC2)cccc1-c1nnn[n-]1 ZINC000822088927 607282538 /nfs/dbraw/zinc/28/25/38/607282538.db2.gz BMQOASPFLPNLQX-UHFFFAOYSA-N -1 3 352.373 3.125 20 0 FGADHM Cc1c(NC(=O)NC2(c3ccccc3F)CC2)cccc1-c1nn[n-]n1 ZINC000822088927 607282539 /nfs/dbraw/zinc/28/25/39/607282539.db2.gz BMQOASPFLPNLQX-UHFFFAOYSA-N -1 3 352.373 3.125 20 0 FGADHM CN(Cc1ccccc1F)c1c(-c2nnn[n-]2)cnc2c(F)ccc(F)c21 ZINC000736828846 599255133 /nfs/dbraw/zinc/25/51/33/599255133.db2.gz QJLACODRTJPYBF-UHFFFAOYSA-N -1 3 370.338 3.469 20 0 FGADHM CN(Cc1ccccc1F)c1c(-c2nn[n-]n2)cnc2c(F)ccc(F)c21 ZINC000736828846 599255135 /nfs/dbraw/zinc/25/51/35/599255135.db2.gz QJLACODRTJPYBF-UHFFFAOYSA-N -1 3 370.338 3.469 20 0 FGADHM Cc1ccc(CNc2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)cc1 ZINC000737340672 599256146 /nfs/dbraw/zinc/25/61/46/599256146.db2.gz BFLLJQQCOFTUOU-UHFFFAOYSA-N -1 3 350.813 3.411 20 0 FGADHM Cc1ccc(CNc2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)cc1 ZINC000737340672 599256148 /nfs/dbraw/zinc/25/61/48/599256148.db2.gz BFLLJQQCOFTUOU-UHFFFAOYSA-N -1 3 350.813 3.411 20 0 FGADHM Cc1ccc([C@H](CNC(=O)Nc2ccccc2CC(=O)[O-])N(C)C)cc1 ZINC000818879048 597340510 /nfs/dbraw/zinc/34/05/10/597340510.db2.gz JSICYXDYKPGHOU-SFHVURJKSA-N -1 3 355.438 3.047 20 0 FGADHM Cc1c(NC(=O)N2CCc3c(Cl)cccc3C2)cccc1-c1nnn[n-]1 ZINC000822090090 607284229 /nfs/dbraw/zinc/28/42/29/607284229.db2.gz IPQRNUPLRRFJPQ-UHFFFAOYSA-N -1 3 368.828 3.419 20 0 FGADHM Cc1c(NC(=O)N2CCc3c(Cl)cccc3C2)cccc1-c1nn[n-]n1 ZINC000822090090 607284230 /nfs/dbraw/zinc/28/42/30/607284230.db2.gz IPQRNUPLRRFJPQ-UHFFFAOYSA-N -1 3 368.828 3.419 20 0 FGADHM Cc1c(NC(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)cccc1-c1nnn[n-]1 ZINC000822090107 607284246 /nfs/dbraw/zinc/28/42/46/607284246.db2.gz IRAPYBVVJBHHPC-QWRGUYRKSA-N -1 3 368.363 3.418 20 0 FGADHM Cc1c(NC(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)cccc1-c1nn[n-]n1 ZINC000822090107 607284247 /nfs/dbraw/zinc/28/42/47/607284247.db2.gz IRAPYBVVJBHHPC-QWRGUYRKSA-N -1 3 368.363 3.418 20 0 FGADHM CCOc1ccc(NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c(C)c1 ZINC000821422162 599257232 /nfs/dbraw/zinc/25/72/32/599257232.db2.gz QKYWKOOSIXMBEC-ZDUSSCGKSA-N -1 3 366.425 3.457 20 0 FGADHM CCOc1ccc(NC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c(C)c1 ZINC000821422162 599257234 /nfs/dbraw/zinc/25/72/34/599257234.db2.gz QKYWKOOSIXMBEC-ZDUSSCGKSA-N -1 3 366.425 3.457 20 0 FGADHM Cc1c(NC(=O)N(C)CCCc2ccccc2)cccc1-c1nnn[n-]1 ZINC000822076305 607286283 /nfs/dbraw/zinc/28/62/83/607286283.db2.gz NPJZTPREQFULGO-UHFFFAOYSA-N -1 3 350.426 3.272 20 0 FGADHM Cc1c(NC(=O)N(C)CCCc2ccccc2)cccc1-c1nn[n-]n1 ZINC000822076305 607286284 /nfs/dbraw/zinc/28/62/84/607286284.db2.gz NPJZTPREQFULGO-UHFFFAOYSA-N -1 3 350.426 3.272 20 0 FGADHM Cc1ccc(CNc2c(-c3nnn[n-]3)cnc3c(F)ccc(F)c32)cc1F ZINC000737343614 599262212 /nfs/dbraw/zinc/26/22/12/599262212.db2.gz ZXFLQCHZAJTRMW-UHFFFAOYSA-N -1 3 370.338 3.175 20 0 FGADHM Cc1ccc(CNc2c(-c3nn[n-]n3)cnc3c(F)ccc(F)c32)cc1F ZINC000737343614 599262215 /nfs/dbraw/zinc/26/22/15/599262215.db2.gz ZXFLQCHZAJTRMW-UHFFFAOYSA-N -1 3 370.338 3.175 20 0 FGADHM Cc1c(NC(=O)N[C@@H]2CSc3ccccc32)cccc1-c1nnn[n-]1 ZINC000822091772 607290160 /nfs/dbraw/zinc/29/01/60/607290160.db2.gz SIHVIPGLDYINRT-CQSZACIVSA-N -1 3 352.423 3.144 20 0 FGADHM Cc1c(NC(=O)N[C@@H]2CSc3ccccc32)cccc1-c1nn[n-]n1 ZINC000822091772 607290161 /nfs/dbraw/zinc/29/01/61/607290161.db2.gz SIHVIPGLDYINRT-CQSZACIVSA-N -1 3 352.423 3.144 20 0 FGADHM Cc1c(NC(=O)Nc2cccc(OC(F)F)c2)cccc1-c1nnn[n-]1 ZINC000822104374 607290260 /nfs/dbraw/zinc/29/02/60/607290260.db2.gz MQBPVULONWSYES-UHFFFAOYSA-N -1 3 360.324 3.421 20 0 FGADHM Cc1c(NC(=O)Nc2cccc(OC(F)F)c2)cccc1-c1nn[n-]n1 ZINC000822104374 607290261 /nfs/dbraw/zinc/29/02/61/607290261.db2.gz MQBPVULONWSYES-UHFFFAOYSA-N -1 3 360.324 3.421 20 0 FGADHM O=C(/C=C\c1ccccc1-c1nn[n-]n1)Nc1nc2ccsc2s1 ZINC000737798943 599262346 /nfs/dbraw/zinc/26/23/46/599262346.db2.gz HSJQQDOOHLNXKS-WAYWQWQTSA-N -1 3 354.420 3.190 20 0 FGADHM Cc1c(NC(=O)NC[C@H]2CCCc3ccccc32)cccc1-c1nnn[n-]1 ZINC000822097487 607291058 /nfs/dbraw/zinc/29/10/58/607291058.db2.gz ZILCVGWHNYYLLT-OAHLLOKOSA-N -1 3 362.437 3.417 20 0 FGADHM Cc1c(NC(=O)NC[C@H]2CCCc3ccccc32)cccc1-c1nn[n-]n1 ZINC000822097487 607291059 /nfs/dbraw/zinc/29/10/59/607291059.db2.gz ZILCVGWHNYYLLT-OAHLLOKOSA-N -1 3 362.437 3.417 20 0 FGADHM Cc1ccccc1OCCN(C)C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000822366938 607292666 /nfs/dbraw/zinc/29/26/66/607292666.db2.gz XBQAOYMDNLUYKS-UHFFFAOYSA-N -1 3 366.425 3.026 20 0 FGADHM Cc1ccccc1OCCN(C)C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000822366938 607292667 /nfs/dbraw/zinc/29/26/67/607292667.db2.gz XBQAOYMDNLUYKS-UHFFFAOYSA-N -1 3 366.425 3.026 20 0 FGADHM CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000820939261 607295530 /nfs/dbraw/zinc/29/55/30/607295530.db2.gz RZVSTXLKJYXQRD-JDFRZJQESA-N -1 3 357.458 3.488 20 0 FGADHM CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000820939261 607295531 /nfs/dbraw/zinc/29/55/31/607295531.db2.gz RZVSTXLKJYXQRD-JDFRZJQESA-N -1 3 357.458 3.488 20 0 FGADHM Cc1ccc(Br)c(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)c1 ZINC000822224857 607296831 /nfs/dbraw/zinc/29/68/31/607296831.db2.gz CRYYERBECXGJMH-UHFFFAOYSA-N -1 3 372.226 3.498 20 0 FGADHM Cc1ccc(Br)c(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)c1 ZINC000822224857 607296832 /nfs/dbraw/zinc/29/68/32/607296832.db2.gz CRYYERBECXGJMH-UHFFFAOYSA-N -1 3 372.226 3.498 20 0 FGADHM CCSCC[C@@H](C)N(C)C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821456624 599260192 /nfs/dbraw/zinc/26/01/92/599260192.db2.gz RFSXHLJKAQLIRN-CHWSQXEVSA-N -1 3 362.503 3.101 20 0 FGADHM CCSCC[C@@H](C)N(C)C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821456624 599260194 /nfs/dbraw/zinc/26/01/94/599260194.db2.gz RFSXHLJKAQLIRN-CHWSQXEVSA-N -1 3 362.503 3.101 20 0 FGADHM CCOc1cc2c(cc1NCc1ccc(-c3nnn[n-]3)s1)O[C@@H](C)C2 ZINC000821400097 607310537 /nfs/dbraw/zinc/31/05/37/607310537.db2.gz DXMOFZHGGVUDEL-JTQLQIEISA-N -1 3 357.439 3.262 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H]1C[C@@H]1C1CCCCC1 ZINC000821406889 599267239 /nfs/dbraw/zinc/26/72/39/599267239.db2.gz LMQAAJDOAKPAHQ-CABCVRRESA-N -1 3 370.457 3.356 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H]1C[C@@H]1C1CCCCC1 ZINC000821406889 599267240 /nfs/dbraw/zinc/26/72/40/599267240.db2.gz LMQAAJDOAKPAHQ-CABCVRRESA-N -1 3 370.457 3.356 20 0 FGADHM COCc1ccccc1CNc1c(-c2nnn[n-]2)cnc2c(C)cc(C)cc21 ZINC000737021941 599267337 /nfs/dbraw/zinc/26/73/37/599267337.db2.gz DWKSKXTVKCAFLP-UHFFFAOYSA-N -1 3 374.448 3.212 20 0 FGADHM COCc1ccccc1CNc1c(-c2nn[n-]n2)cnc2c(C)cc(C)cc21 ZINC000737021941 599267339 /nfs/dbraw/zinc/26/73/39/599267339.db2.gz DWKSKXTVKCAFLP-UHFFFAOYSA-N -1 3 374.448 3.212 20 0 FGADHM OC1(CNc2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)CCCCCC1 ZINC000738383244 599267738 /nfs/dbraw/zinc/26/77/38/599267738.db2.gz AADLJKDZMFLOBZ-UHFFFAOYSA-N -1 3 374.395 3.190 20 0 FGADHM OC1(CNc2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)CCCCCC1 ZINC000738383244 599267739 /nfs/dbraw/zinc/26/77/39/599267739.db2.gz AADLJKDZMFLOBZ-UHFFFAOYSA-N -1 3 374.395 3.190 20 0 FGADHM CN(CCCOc1ccccc1)c1c(-c2nnn[n-]2)cnc2ccccc21 ZINC000736798159 599272760 /nfs/dbraw/zinc/27/27/60/599272760.db2.gz RJTFURWDQCLFIO-UHFFFAOYSA-N -1 3 360.421 3.320 20 0 FGADHM CN(CCCOc1ccccc1)c1c(-c2nn[n-]n2)cnc2ccccc21 ZINC000736798159 599272761 /nfs/dbraw/zinc/27/27/61/599272761.db2.gz RJTFURWDQCLFIO-UHFFFAOYSA-N -1 3 360.421 3.320 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)Cc1cccc(F)c1 ZINC000736488462 599277301 /nfs/dbraw/zinc/27/73/01/599277301.db2.gz QYORIZBLWNMSQE-UHFFFAOYSA-N -1 3 354.389 3.009 20 0 FGADHM C[C@H](NC(=O)Nc1ccc2ccn(C)c2c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820380467 599285700 /nfs/dbraw/zinc/28/57/00/599285700.db2.gz UHLYMPHVJGEAGI-LBPRGKRZSA-N -1 3 361.409 3.241 20 0 FGADHM C[C@H](NC(=O)Nc1ccc2ccn(C)c2c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820380467 599285702 /nfs/dbraw/zinc/28/57/02/599285702.db2.gz UHLYMPHVJGEAGI-LBPRGKRZSA-N -1 3 361.409 3.241 20 0 FGADHM C[C@H](Sc1nncn1-c1ccccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000736191890 599286540 /nfs/dbraw/zinc/28/65/40/599286540.db2.gz JMJFBMNTUGMAAA-NSHDSACASA-N -1 3 367.413 3.440 20 0 FGADHM C[C@H](Sc1nncn1-c1ccccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000736191890 599286543 /nfs/dbraw/zinc/28/65/43/599286543.db2.gz JMJFBMNTUGMAAA-NSHDSACASA-N -1 3 367.413 3.440 20 0 FGADHM Cc1cccc(-n2nnnc2S[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737381758 599288755 /nfs/dbraw/zinc/28/87/55/599288755.db2.gz NJULSBWAOJIEHQ-GFCCVEGCSA-N -1 3 364.438 3.004 20 0 FGADHM Cc1cccc(-n2nnnc2S[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737381758 599288757 /nfs/dbraw/zinc/28/87/57/599288757.db2.gz NJULSBWAOJIEHQ-GFCCVEGCSA-N -1 3 364.438 3.004 20 0 FGADHM CCCOCC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736486999 598231805 /nfs/dbraw/zinc/23/18/05/598231805.db2.gz CJGAYXHXYQWDBZ-UHFFFAOYSA-N -1 3 353.382 3.024 20 0 FGADHM CCCOCC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736486999 598231807 /nfs/dbraw/zinc/23/18/07/598231807.db2.gz CJGAYXHXYQWDBZ-UHFFFAOYSA-N -1 3 353.382 3.024 20 0 FGADHM CCOc1ccc2[nH]c(Sc3cccc(F)c3-c3nnn[n-]3)nc2c1 ZINC000736651918 598234480 /nfs/dbraw/zinc/23/44/80/598234480.db2.gz SIEXBSKQBKROEH-UHFFFAOYSA-N -1 3 356.386 3.432 20 0 FGADHM CCCC(=O)Nc1cccc(CNc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000736415640 598239549 /nfs/dbraw/zinc/23/95/49/598239549.db2.gz HTRRPCWHXWCHGM-UHFFFAOYSA-N -1 3 354.389 3.357 20 0 FGADHM CN(CCOc1ccccc1)c1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000736802435 598274285 /nfs/dbraw/zinc/27/42/85/598274285.db2.gz SDDLCGSCWCQOQX-UHFFFAOYSA-N -1 3 363.343 3.401 20 0 FGADHM Cc1ccc2cccc(NC(=O)NCc3cccc(-c4nnn[n-]4)c3)c2n1 ZINC000737373083 598277116 /nfs/dbraw/zinc/27/71/16/598277116.db2.gz CCFIAPIJLHOVGP-UHFFFAOYSA-N -1 3 359.393 3.045 20 0 FGADHM Cc1ccc2cccc(NC(=O)NCc3cccc(-c4nn[n-]n4)c3)c2n1 ZINC000737373083 598277118 /nfs/dbraw/zinc/27/71/18/598277118.db2.gz CCFIAPIJLHOVGP-UHFFFAOYSA-N -1 3 359.393 3.045 20 0 FGADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)c1sccc1OC(F)F ZINC000738162906 598278215 /nfs/dbraw/zinc/27/82/15/598278215.db2.gz HLNAZBKRKOSCCH-UHFFFAOYSA-N -1 3 371.756 3.435 20 0 FGADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)c1sccc1OC(F)F ZINC000738162906 598278217 /nfs/dbraw/zinc/27/82/17/598278217.db2.gz HLNAZBKRKOSCCH-UHFFFAOYSA-N -1 3 371.756 3.435 20 0 FGADHM Cc1nc(CC(C)C)sc1C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000737473267 598279647 /nfs/dbraw/zinc/27/96/47/598279647.db2.gz CMUORNLNRZBSEB-UHFFFAOYSA-N -1 3 374.445 3.246 20 0 FGADHM Cc1nc(CC(C)C)sc1C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000737473267 598279648 /nfs/dbraw/zinc/27/96/48/598279648.db2.gz CMUORNLNRZBSEB-UHFFFAOYSA-N -1 3 374.445 3.246 20 0 FGADHM C[C@H](c1ccncc1)N(C)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736201450 598281177 /nfs/dbraw/zinc/28/11/77/598281177.db2.gz FLEVVLSMHJQHHO-GFCCVEGCSA-N -1 3 368.445 3.043 20 0 FGADHM C[C@H](c1ccncc1)N(C)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736201450 598281178 /nfs/dbraw/zinc/28/11/78/598281178.db2.gz FLEVVLSMHJQHHO-GFCCVEGCSA-N -1 3 368.445 3.043 20 0 FGADHM CC(=CC(=O)NCc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1Cl ZINC000735449855 598296605 /nfs/dbraw/zinc/29/66/05/598296605.db2.gz ULLGMSQDWGJBIG-DHZHZOJOSA-N -1 3 371.803 3.379 20 0 FGADHM CC(=CC(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1Cl ZINC000735449855 598296606 /nfs/dbraw/zinc/29/66/06/598296606.db2.gz ULLGMSQDWGJBIG-DHZHZOJOSA-N -1 3 371.803 3.379 20 0 FGADHM C[C@@H]1C[C@@H](CC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)CC(C)(C)C1 ZINC000736232711 598298253 /nfs/dbraw/zinc/29/82/53/598298253.db2.gz ZYHJEVOTCJNXQR-OLZOCXBDSA-N -1 3 359.449 3.475 20 0 FGADHM C[C@@H]1C[C@@H](CC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)CC(C)(C)C1 ZINC000736232711 598298255 /nfs/dbraw/zinc/29/82/55/598298255.db2.gz ZYHJEVOTCJNXQR-OLZOCXBDSA-N -1 3 359.449 3.475 20 0 FGADHM Cc1nc(-c2ccco2)ccc1C(=O)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000737464302 598302282 /nfs/dbraw/zinc/30/22/82/598302282.db2.gz JRIRNUUBFADYJS-UHFFFAOYSA-N -1 3 361.361 3.187 20 0 FGADHM Cc1nc(-c2ccco2)ccc1C(=O)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000737464302 598302283 /nfs/dbraw/zinc/30/22/83/598302283.db2.gz JRIRNUUBFADYJS-UHFFFAOYSA-N -1 3 361.361 3.187 20 0 FGADHM C[C@@H]1CCCC[C@H]1NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736273059 598317108 /nfs/dbraw/zinc/31/71/08/598317108.db2.gz QXGUZIMOPNKUJI-NOZJJQNGSA-N -1 3 350.879 3.385 20 0 FGADHM C[C@@H]1CCCC[C@H]1NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736273059 598317110 /nfs/dbraw/zinc/31/71/10/598317110.db2.gz QXGUZIMOPNKUJI-NOZJJQNGSA-N -1 3 350.879 3.385 20 0 FGADHM CCCc1ccc(NC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000736496803 598321510 /nfs/dbraw/zinc/32/15/10/598321510.db2.gz ILBRMIKKKUQFLC-UHFFFAOYSA-N -1 3 354.389 3.280 20 0 FGADHM CCCc1ccc(NC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000736496803 598321512 /nfs/dbraw/zinc/32/15/12/598321512.db2.gz ILBRMIKKKUQFLC-UHFFFAOYSA-N -1 3 354.389 3.280 20 0 FGADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCC2(CCCCC2)CC1 ZINC000736184152 598328162 /nfs/dbraw/zinc/32/81/62/598328162.db2.gz WHMSDXXSWMRQKD-HNNXBMFYSA-N -1 3 369.469 3.207 20 0 FGADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCC2(CCCCC2)CC1 ZINC000736184152 598328164 /nfs/dbraw/zinc/32/81/64/598328164.db2.gz WHMSDXXSWMRQKD-HNNXBMFYSA-N -1 3 369.469 3.207 20 0 FGADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)N1CCC2(CCCCC2)CC1 ZINC000737853206 598328964 /nfs/dbraw/zinc/32/89/64/598328964.db2.gz QLAKYRNHZYLFKU-UHFFFAOYSA-N -1 3 353.470 3.372 20 0 FGADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)N1CCC2(CCCCC2)CC1 ZINC000737853206 598328965 /nfs/dbraw/zinc/32/89/65/598328965.db2.gz QLAKYRNHZYLFKU-UHFFFAOYSA-N -1 3 353.470 3.372 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)[C@H]1CCCc2sccc21 ZINC000823422629 607353648 /nfs/dbraw/zinc/35/36/48/607353648.db2.gz YZNDYLZYXXMLLT-LBPRGKRZSA-N -1 3 358.398 3.231 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)[C@H]1CCCc2sccc21 ZINC000823422629 607353649 /nfs/dbraw/zinc/35/36/49/607353649.db2.gz YZNDYLZYXXMLLT-LBPRGKRZSA-N -1 3 358.398 3.231 20 0 FGADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1F)[C@H]1CCCc2sccc21 ZINC000823418853 607353679 /nfs/dbraw/zinc/35/36/79/607353679.db2.gz XTDFZLJIIIJJJF-ZDUSSCGKSA-N -1 3 358.398 3.231 20 0 FGADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1F)[C@H]1CCCc2sccc21 ZINC000823418853 607353680 /nfs/dbraw/zinc/35/36/80/607353680.db2.gz XTDFZLJIIIJJJF-ZDUSSCGKSA-N -1 3 358.398 3.231 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccccc1OC(C)C ZINC000736634595 598358787 /nfs/dbraw/zinc/35/87/87/598358787.db2.gz NDMXFVWJGZMVFT-UHFFFAOYSA-N -1 3 367.409 3.305 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccccc1OC(C)C ZINC000736634595 598358788 /nfs/dbraw/zinc/35/87/88/598358788.db2.gz NDMXFVWJGZMVFT-UHFFFAOYSA-N -1 3 367.409 3.305 20 0 FGADHM COc1ccccc1[C@H]1CCCCN1C(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737146659 598361078 /nfs/dbraw/zinc/36/10/78/598361078.db2.gz ITDOGWHPHLZTQM-QGZVFWFLSA-N -1 3 363.421 3.243 20 0 FGADHM COc1ccccc1[C@H]1CCCCN1C(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737146659 598361080 /nfs/dbraw/zinc/36/10/80/598361080.db2.gz ITDOGWHPHLZTQM-QGZVFWFLSA-N -1 3 363.421 3.243 20 0 FGADHM COc1ccccc1[C@@H]1CCCCN1C(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737146658 598361283 /nfs/dbraw/zinc/36/12/83/598361283.db2.gz ITDOGWHPHLZTQM-KRWDZBQOSA-N -1 3 363.421 3.243 20 0 FGADHM COc1ccccc1[C@@H]1CCCCN1C(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737146658 598361284 /nfs/dbraw/zinc/36/12/84/598361284.db2.gz ITDOGWHPHLZTQM-KRWDZBQOSA-N -1 3 363.421 3.243 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N1CCC[C@H](Cc2ccccc2)C1 ZINC000737801357 598362438 /nfs/dbraw/zinc/36/24/38/598362438.db2.gz SZTBKMJZYVGKRJ-QFQMRYFISA-N -1 3 373.460 3.361 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N1CCC[C@H](Cc2ccccc2)C1 ZINC000737801357 598362440 /nfs/dbraw/zinc/36/24/40/598362440.db2.gz SZTBKMJZYVGKRJ-QFQMRYFISA-N -1 3 373.460 3.361 20 0 FGADHM C[C@@H](CC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1F ZINC000735977976 598364533 /nfs/dbraw/zinc/36/45/33/598364533.db2.gz XUKKINFPMAXZRP-STQMWFEESA-N -1 3 353.401 3.377 20 0 FGADHM C[C@@H](CC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1F ZINC000735977976 598364535 /nfs/dbraw/zinc/36/45/35/598364535.db2.gz XUKKINFPMAXZRP-STQMWFEESA-N -1 3 353.401 3.377 20 0 FGADHM Cc1cccc(CC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)CC(C)C)c1 ZINC000737392231 598365331 /nfs/dbraw/zinc/36/53/31/598365331.db2.gz QELWQBFVINJXRX-UHFFFAOYSA-N -1 3 363.465 3.402 20 0 FGADHM Cc1cccc(CC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)CC(C)C)c1 ZINC000737392231 598365333 /nfs/dbraw/zinc/36/53/33/598365333.db2.gz QELWQBFVINJXRX-UHFFFAOYSA-N -1 3 363.465 3.402 20 0 FGADHM Cc1cccc(CC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(C)C)c1 ZINC000737392471 598365980 /nfs/dbraw/zinc/36/59/80/598365980.db2.gz VJVXCJSVJMNGBE-UHFFFAOYSA-N -1 3 351.410 3.144 20 0 FGADHM Cc1cccc(CC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(C)C)c1 ZINC000737392471 598365982 /nfs/dbraw/zinc/36/59/82/598365982.db2.gz VJVXCJSVJMNGBE-UHFFFAOYSA-N -1 3 351.410 3.144 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc2[nH]c(C(F)F)nc2c1 ZINC000737295683 598374089 /nfs/dbraw/zinc/37/40/89/598374089.db2.gz YUZNUXVEDCVCSC-UHFFFAOYSA-N -1 3 369.335 3.241 20 0 FGADHM CC(C)(C)[C@@H](NC(=O)CNc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000735588224 598382128 /nfs/dbraw/zinc/38/21/28/598382128.db2.gz CACAYLKDGXCNHY-SFHVURJKSA-N -1 3 364.453 3.182 20 0 FGADHM CC(C)(C)[C@H](NC(=O)CNc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000735588223 598382534 /nfs/dbraw/zinc/38/25/34/598382534.db2.gz CACAYLKDGXCNHY-GOSISDBHSA-N -1 3 364.453 3.182 20 0 FGADHM COc1ccc2oc([C@H](C)Nc3ncccc3-c3nnn[n-]3)c(C)c2c1 ZINC000737120121 598388175 /nfs/dbraw/zinc/38/81/75/598388175.db2.gz JAZURBGYLAOHNF-NSHDSACASA-N -1 3 350.382 3.498 20 0 FGADHM COc1ccc2oc([C@H](C)Nc3ncccc3-c3nn[n-]n3)c(C)c2c1 ZINC000737120121 598388176 /nfs/dbraw/zinc/38/81/76/598388176.db2.gz JAZURBGYLAOHNF-NSHDSACASA-N -1 3 350.382 3.498 20 0 FGADHM CC(=O)c1csc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)c1 ZINC000735503188 598394018 /nfs/dbraw/zinc/39/40/18/598394018.db2.gz HVRNLFGTHJSPGA-UHFFFAOYSA-N -1 3 373.463 3.323 20 0 FGADHM CC(=O)c1csc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)c1 ZINC000735503188 598394019 /nfs/dbraw/zinc/39/40/19/598394019.db2.gz HVRNLFGTHJSPGA-UHFFFAOYSA-N -1 3 373.463 3.323 20 0 FGADHM O=C(CC1=CCCCC1)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000737810516 598398016 /nfs/dbraw/zinc/39/80/16/598398016.db2.gz XQLBJWONCPRXCV-UHFFFAOYSA-N -1 3 367.453 3.127 20 0 FGADHM O=C(CC1=CCCCC1)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000737810516 598398017 /nfs/dbraw/zinc/39/80/17/598398017.db2.gz XQLBJWONCPRXCV-UHFFFAOYSA-N -1 3 367.453 3.127 20 0 FGADHM CC(C)COc1ccc(CC(=O)OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000735844900 598411477 /nfs/dbraw/zinc/41/14/77/598411477.db2.gz PZQFLFRNYSSEKC-UHFFFAOYSA-N -1 3 366.421 3.187 20 0 FGADHM CC(C)COc1ccc(CC(=O)OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000735844900 598411478 /nfs/dbraw/zinc/41/14/78/598411478.db2.gz PZQFLFRNYSSEKC-UHFFFAOYSA-N -1 3 366.421 3.187 20 0 FGADHM CCN(C(=O)CNc1cccc(-c2nnn[n-]2)c1)c1cccc2ccccc21 ZINC000736506247 598419427 /nfs/dbraw/zinc/41/94/27/598419427.db2.gz ZKWDMHNXORQLLF-UHFFFAOYSA-N -1 3 372.432 3.485 20 0 FGADHM CCN(C(=O)CNc1cccc(-c2nn[n-]n2)c1)c1cccc2ccccc21 ZINC000736506247 598419429 /nfs/dbraw/zinc/41/94/29/598419429.db2.gz ZKWDMHNXORQLLF-UHFFFAOYSA-N -1 3 372.432 3.485 20 0 FGADHM COc1ccccc1C[C@H](C)CC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737154174 598421137 /nfs/dbraw/zinc/42/11/37/598421137.db2.gz YEBKYHUIAPOLCD-LBPRGKRZSA-N -1 3 369.400 3.222 20 0 FGADHM COc1ccccc1C[C@H](C)CC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737154174 598421139 /nfs/dbraw/zinc/42/11/39/598421139.db2.gz YEBKYHUIAPOLCD-LBPRGKRZSA-N -1 3 369.400 3.222 20 0 FGADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)OCc1cnc2ccccc2c1 ZINC000737854011 598433425 /nfs/dbraw/zinc/43/34/25/598433425.db2.gz PYJGOURYMSOZHG-UHFFFAOYSA-N -1 3 359.389 3.091 20 0 FGADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)OCc1cnc2ccccc2c1 ZINC000737854011 598433427 /nfs/dbraw/zinc/43/34/27/598433427.db2.gz PYJGOURYMSOZHG-UHFFFAOYSA-N -1 3 359.389 3.091 20 0 FGADHM Cc1ccc2cccc(NC(=O)[C@H](C)Oc3ccc(-c4nn[n-]n4)cc3)c2n1 ZINC000737374632 598445871 /nfs/dbraw/zinc/44/58/71/598445871.db2.gz PYKLDIIKNOUZTQ-ZDUSSCGKSA-N -1 3 374.404 3.129 20 0 FGADHM CC[C@](C)(NC(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000736314486 598454889 /nfs/dbraw/zinc/45/48/89/598454889.db2.gz KRMTULIFPXRDQK-IBGZPJMESA-N -1 3 367.478 3.400 20 0 FGADHM CC[C@](C)(NC(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000736314486 598454891 /nfs/dbraw/zinc/45/48/91/598454891.db2.gz KRMTULIFPXRDQK-IBGZPJMESA-N -1 3 367.478 3.400 20 0 FGADHM O=C(Nc1ccc(NC2CCCCC2)cc1)c1ccc(-c2nnn[n-]2)cn1 ZINC000738173949 598464220 /nfs/dbraw/zinc/46/42/20/598464220.db2.gz PMIUYIHWYKJXMM-UHFFFAOYSA-N -1 3 363.425 3.259 20 0 FGADHM O=C(Nc1ccc(NC2CCCCC2)cc1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738173949 598464222 /nfs/dbraw/zinc/46/42/22/598464222.db2.gz PMIUYIHWYKJXMM-UHFFFAOYSA-N -1 3 363.425 3.259 20 0 FGADHM CCOC(=O)Nc1ccc(OCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000736602164 598469670 /nfs/dbraw/zinc/46/96/70/598469670.db2.gz DWXYUIFRWLWVIF-UHFFFAOYSA-N -1 3 357.345 3.153 20 0 FGADHM CCOC(=O)Nc1ccc(OCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000736602164 598469672 /nfs/dbraw/zinc/46/96/72/598469672.db2.gz DWXYUIFRWLWVIF-UHFFFAOYSA-N -1 3 357.345 3.153 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)ccc1OCc1cc(-c2ccco2)on1 ZINC000736625376 598471532 /nfs/dbraw/zinc/47/15/32/598471532.db2.gz DACHAZAGRFUHTJ-UHFFFAOYSA-N -1 3 353.338 3.092 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)ccc1OCc1cc(-c2ccco2)on1 ZINC000736625376 598471533 /nfs/dbraw/zinc/47/15/33/598471533.db2.gz DACHAZAGRFUHTJ-UHFFFAOYSA-N -1 3 353.338 3.092 20 0 FGADHM CC(C)C(=O)COC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735684799 598474703 /nfs/dbraw/zinc/47/47/03/598474703.db2.gz UBSVZVUQFIAVFG-UHFFFAOYSA-N -1 3 366.377 3.041 20 0 FGADHM CC(C)C(=O)COC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735684799 598474705 /nfs/dbraw/zinc/47/47/05/598474705.db2.gz UBSVZVUQFIAVFG-UHFFFAOYSA-N -1 3 366.377 3.041 20 0 FGADHM COC(C)(C)C(=O)OCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000736958549 598476983 /nfs/dbraw/zinc/47/69/83/598476983.db2.gz UQMVHEVDMYGWAV-UHFFFAOYSA-N -1 3 352.394 3.002 20 0 FGADHM COC(C)(C)C(=O)OCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000736958549 598476985 /nfs/dbraw/zinc/47/69/85/598476985.db2.gz UQMVHEVDMYGWAV-UHFFFAOYSA-N -1 3 352.394 3.002 20 0 FGADHM COc1ccc([C@H](C)C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)cc1 ZINC000737074741 598488855 /nfs/dbraw/zinc/48/88/55/598488855.db2.gz YSFZVPOQDXAKBQ-LBPRGKRZSA-N -1 3 368.441 3.174 20 0 FGADHM COc1ccc([C@H](C)C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)cc1 ZINC000737074741 598488857 /nfs/dbraw/zinc/48/88/57/598488857.db2.gz YSFZVPOQDXAKBQ-LBPRGKRZSA-N -1 3 368.441 3.174 20 0 FGADHM C[C@@H](OC(=O)c1ccc(Cn2cccn2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000736159215 598490581 /nfs/dbraw/zinc/49/05/81/598490581.db2.gz VYGOVCKJLSUZTN-CQSZACIVSA-N -1 3 374.404 3.030 20 0 FGADHM C[C@@H](OC(=O)c1ccc(Cn2cccn2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000736159215 598490583 /nfs/dbraw/zinc/49/05/83/598490583.db2.gz VYGOVCKJLSUZTN-CQSZACIVSA-N -1 3 374.404 3.030 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1csc(-c2ccoc2)n1 ZINC000738152401 598493649 /nfs/dbraw/zinc/49/36/49/598493649.db2.gz RTGCNKNVHBVUEA-UHFFFAOYSA-N -1 3 372.797 3.489 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1csc(-c2ccoc2)n1 ZINC000738152401 598493650 /nfs/dbraw/zinc/49/36/50/598493650.db2.gz RTGCNKNVHBVUEA-UHFFFAOYSA-N -1 3 372.797 3.489 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)NCCCCCc1ccccc1 ZINC000737796910 598496272 /nfs/dbraw/zinc/49/62/72/598496272.db2.gz BZELJQXWIUIGEQ-CCEZHUSRSA-N -1 3 361.449 3.409 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)NCCCCCc1ccccc1 ZINC000737796910 598496274 /nfs/dbraw/zinc/49/62/74/598496274.db2.gz BZELJQXWIUIGEQ-CCEZHUSRSA-N -1 3 361.449 3.409 20 0 FGADHM CCc1ccc([C@@H](C)C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC)cc1 ZINC000736687480 598497878 /nfs/dbraw/zinc/49/78/78/598497878.db2.gz MTCYPZUVLFILOC-GFCCVEGCSA-N -1 3 351.410 3.180 20 0 FGADHM CCc1ccc([C@@H](C)C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC)cc1 ZINC000736687480 598497879 /nfs/dbraw/zinc/49/78/79/598497879.db2.gz MTCYPZUVLFILOC-GFCCVEGCSA-N -1 3 351.410 3.180 20 0 FGADHM CCc1c(C)sc(NC(=O)c2ccc(C(C)=O)s2)c1-c1nnn[n-]1 ZINC000736676262 598517465 /nfs/dbraw/zinc/51/74/65/598517465.db2.gz QDUUJRLRWJQHOY-UHFFFAOYSA-N -1 3 361.452 3.315 20 0 FGADHM CCc1c(C)sc(NC(=O)c2ccc(C(C)=O)s2)c1-c1nn[n-]n1 ZINC000736676262 598517467 /nfs/dbraw/zinc/51/74/67/598517467.db2.gz QDUUJRLRWJQHOY-UHFFFAOYSA-N -1 3 361.452 3.315 20 0 FGADHM CSCCc1ccc(NC(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737182587 598527783 /nfs/dbraw/zinc/52/77/83/598527783.db2.gz SEJRQCIFSJURBA-UHFFFAOYSA-N -1 3 354.439 3.416 20 0 FGADHM CSCCc1ccc(NC(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737182587 598527784 /nfs/dbraw/zinc/52/77/84/598527784.db2.gz SEJRQCIFSJURBA-UHFFFAOYSA-N -1 3 354.439 3.416 20 0 FGADHM CSCCc1ccc(NC(=O)NCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737182597 598535076 /nfs/dbraw/zinc/53/50/76/598535076.db2.gz SFLZCHHRKUDNBW-UHFFFAOYSA-N -1 3 368.466 3.094 20 0 FGADHM CSCCc1ccc(NC(=O)NCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737182597 598535078 /nfs/dbraw/zinc/53/50/78/598535078.db2.gz SFLZCHHRKUDNBW-UHFFFAOYSA-N -1 3 368.466 3.094 20 0 FGADHM O=C(c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1)N1CCCCCC1 ZINC000738258592 598538776 /nfs/dbraw/zinc/53/87/76/598538776.db2.gz RDBNSJUYHUDDDZ-UHFFFAOYSA-N -1 3 367.409 3.055 20 0 FGADHM O=C(Nc1scnc1-c1ccccc1)c1sccc1-c1nnn[n-]1 ZINC000738206102 598541314 /nfs/dbraw/zinc/54/13/14/598541314.db2.gz CAQQYDXNNURUKC-UHFFFAOYSA-N -1 3 354.420 3.304 20 0 FGADHM O=C(Nc1scnc1-c1ccccc1)c1sccc1-c1nn[n-]n1 ZINC000738206102 598541315 /nfs/dbraw/zinc/54/13/15/598541315.db2.gz CAQQYDXNNURUKC-UHFFFAOYSA-N -1 3 354.420 3.304 20 0 FGADHM Cc1ccc(C)c(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)c1 ZINC000737323165 598546368 /nfs/dbraw/zinc/54/63/68/598546368.db2.gz PTKAOJUVXPWEOD-UHFFFAOYSA-N -1 3 359.336 3.337 20 0 FGADHM Cc1ccc(C)c(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)c1 ZINC000737323165 598546369 /nfs/dbraw/zinc/54/63/69/598546369.db2.gz PTKAOJUVXPWEOD-UHFFFAOYSA-N -1 3 359.336 3.337 20 0 FGADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)c1cc2ccccc2o1 ZINC000738146113 598547632 /nfs/dbraw/zinc/54/76/32/598547632.db2.gz PWVMASBVBGLCTH-UHFFFAOYSA-N -1 3 371.303 3.467 20 0 FGADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)c1cc2ccccc2o1 ZINC000738146113 598547633 /nfs/dbraw/zinc/54/76/33/598547633.db2.gz PWVMASBVBGLCTH-UHFFFAOYSA-N -1 3 371.303 3.467 20 0 FGADHM C[C@H](C(=O)OCc1cn2ccccc2c1-c1nnn[n-]1)c1ccccc1F ZINC000735572864 598562969 /nfs/dbraw/zinc/56/29/69/598562969.db2.gz YQLFDZMSUHRVED-LBPRGKRZSA-N -1 3 365.368 3.105 20 0 FGADHM C[C@H](C(=O)OCc1cn2ccccc2c1-c1nn[n-]n1)c1ccccc1F ZINC000735572864 598562970 /nfs/dbraw/zinc/56/29/70/598562970.db2.gz YQLFDZMSUHRVED-LBPRGKRZSA-N -1 3 365.368 3.105 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000737290802 598568585 /nfs/dbraw/zinc/56/85/85/598568585.db2.gz GHABLWHSHSEUQD-QWHCGFSZSA-N -1 3 355.348 3.196 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000737290802 598568587 /nfs/dbraw/zinc/56/85/87/598568587.db2.gz GHABLWHSHSEUQD-QWHCGFSZSA-N -1 3 355.348 3.196 20 0 FGADHM CCCC[C@@H](CC)CNC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000736438148 598569279 /nfs/dbraw/zinc/56/92/79/598569279.db2.gz MEWKDMVGCPRIKM-QAPCUYQASA-N -1 3 370.501 3.168 20 0 FGADHM C[C@H](COCC(F)(F)F)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000736039059 598577663 /nfs/dbraw/zinc/57/76/63/598577663.db2.gz ZIBZUDKIUPAJNP-SSDOTTSWSA-N -1 3 369.269 3.265 20 0 FGADHM C[C@H](COCC(F)(F)F)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000736039059 598577664 /nfs/dbraw/zinc/57/76/64/598577664.db2.gz ZIBZUDKIUPAJNP-SSDOTTSWSA-N -1 3 369.269 3.265 20 0 FGADHM O=C(OCc1cc(-c2nnn[n-]2)ccc1F)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000738236553 598584511 /nfs/dbraw/zinc/58/45/11/598584511.db2.gz NXCWYWVZAIFNRQ-CHWSQXEVSA-N -1 3 374.322 3.131 20 0 FGADHM O=C(OCc1cc(-c2nn[n-]n2)ccc1F)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000738236553 598584513 /nfs/dbraw/zinc/58/45/13/598584513.db2.gz NXCWYWVZAIFNRQ-CHWSQXEVSA-N -1 3 374.322 3.131 20 0 FGADHM O=C(OCc1cc(-c2nnn[n-]2)ccc1F)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000738236654 598584755 /nfs/dbraw/zinc/58/47/55/598584755.db2.gz NXCWYWVZAIFNRQ-OLZOCXBDSA-N -1 3 374.322 3.131 20 0 FGADHM O=C(OCc1cc(-c2nn[n-]n2)ccc1F)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000738236654 598584757 /nfs/dbraw/zinc/58/47/57/598584757.db2.gz NXCWYWVZAIFNRQ-OLZOCXBDSA-N -1 3 374.322 3.131 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1sccc1Br ZINC000738165995 598585735 /nfs/dbraw/zinc/58/57/35/598585735.db2.gz OHJFAASDSQBAOG-UHFFFAOYSA-N -1 3 368.191 3.082 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1sccc1Br ZINC000738165995 598585736 /nfs/dbraw/zinc/58/57/36/598585736.db2.gz OHJFAASDSQBAOG-UHFFFAOYSA-N -1 3 368.191 3.082 20 0 FGADHM O=C(CCOc1ccccc1Cl)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737849844 598586977 /nfs/dbraw/zinc/58/69/77/598586977.db2.gz JMVFORPEBDTZOP-UHFFFAOYSA-N -1 3 361.764 3.067 20 0 FGADHM O=C(CCOc1ccccc1Cl)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737849844 598586978 /nfs/dbraw/zinc/58/69/78/598586978.db2.gz JMVFORPEBDTZOP-UHFFFAOYSA-N -1 3 361.764 3.067 20 0 FGADHM Cc1sc(-c2ccco2)nc1C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737563612 598587981 /nfs/dbraw/zinc/58/79/81/598587981.db2.gz QORANQHFCXZPAG-UHFFFAOYSA-N -1 3 370.369 3.283 20 0 FGADHM Cc1sc(-c2ccco2)nc1C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737563612 598587983 /nfs/dbraw/zinc/58/79/83/598587983.db2.gz QORANQHFCXZPAG-UHFFFAOYSA-N -1 3 370.369 3.283 20 0 FGADHM Brc1cccc(-c2noc(-c3cccc(-c4nnn[n-]4)c3)n2)c1 ZINC000735369356 598607889 /nfs/dbraw/zinc/60/78/89/598607889.db2.gz RVYICUKSZCPALU-UHFFFAOYSA-N -1 3 369.182 3.346 20 0 FGADHM Brc1cccc(-c2noc(-c3cccc(-c4nn[n-]n4)c3)n2)c1 ZINC000735369356 598607890 /nfs/dbraw/zinc/60/78/90/598607890.db2.gz RVYICUKSZCPALU-UHFFFAOYSA-N -1 3 369.182 3.346 20 0 FGADHM O=C(NCc1c(F)cccc1Cl)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738094420 598627943 /nfs/dbraw/zinc/62/79/43/598627943.db2.gz GNBIVTWSWSSCTI-UHFFFAOYSA-N -1 3 364.743 3.120 20 0 FGADHM O=C(NCc1c(F)cccc1Cl)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738094420 598627944 /nfs/dbraw/zinc/62/79/44/598627944.db2.gz GNBIVTWSWSSCTI-UHFFFAOYSA-N -1 3 364.743 3.120 20 0 FGADHM C[C@H](NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1c(F)cccc1F ZINC000736117583 598628655 /nfs/dbraw/zinc/62/86/55/598628655.db2.gz QJHOBNQMOMBIKE-QMMMGPOBSA-N -1 3 362.315 3.167 20 0 FGADHM C[C@H](NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1c(F)cccc1F ZINC000736117583 598628657 /nfs/dbraw/zinc/62/86/57/598628657.db2.gz QJHOBNQMOMBIKE-QMMMGPOBSA-N -1 3 362.315 3.167 20 0 FGADHM CN(Cc1cnn(-c2ccccc2)c1)c1c(Cl)cccc1-c1nnn[n-]1 ZINC000736830574 598632120 /nfs/dbraw/zinc/63/21/20/598632120.db2.gz XDLWJXHOTTWMHE-UHFFFAOYSA-N -1 3 365.828 3.342 20 0 FGADHM CN(Cc1cnn(-c2ccccc2)c1)c1c(Cl)cccc1-c1nn[n-]n1 ZINC000736830574 598632121 /nfs/dbraw/zinc/63/21/21/598632121.db2.gz XDLWJXHOTTWMHE-UHFFFAOYSA-N -1 3 365.828 3.342 20 0 FGADHM CCn1c(CSc2cc(-c3nnn[n-]3)ccn2)nc2c1cccc2F ZINC000736714542 598644238 /nfs/dbraw/zinc/64/42/38/598644238.db2.gz SCQLJKPVNROQSE-UHFFFAOYSA-N -1 3 355.402 3.063 20 0 FGADHM CCn1c(CSc2cc(-c3nn[n-]n3)ccn2)nc2c1cccc2F ZINC000736714542 598644240 /nfs/dbraw/zinc/64/42/40/598644240.db2.gz SCQLJKPVNROQSE-UHFFFAOYSA-N -1 3 355.402 3.063 20 0 FGADHM CC(C)c1ocnc1C(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@H](C)C2 ZINC000736281291 598646447 /nfs/dbraw/zinc/64/64/47/598646447.db2.gz UWNZVCMFLXEJKR-VIFPVBQESA-N -1 3 372.454 3.417 20 0 FGADHM CC(C)c1ocnc1C(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@H](C)C2 ZINC000736281291 598646448 /nfs/dbraw/zinc/64/64/48/598646448.db2.gz UWNZVCMFLXEJKR-VIFPVBQESA-N -1 3 372.454 3.417 20 0 FGADHM CCCOc1ccc(OC(=O)CSc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736492678 598647049 /nfs/dbraw/zinc/64/70/49/598647049.db2.gz LUCMKQUYWAXNNG-UHFFFAOYSA-N -1 3 370.434 3.353 20 0 FGADHM CCCOc1ccc(OC(=O)CSc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736492678 598647050 /nfs/dbraw/zinc/64/70/50/598647050.db2.gz LUCMKQUYWAXNNG-UHFFFAOYSA-N -1 3 370.434 3.353 20 0 FGADHM CCCOc1ccccc1NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736493086 598648246 /nfs/dbraw/zinc/64/82/46/598648246.db2.gz RIEOCHTYJHBOFU-UHFFFAOYSA-N -1 3 369.450 3.386 20 0 FGADHM CCCOc1ccccc1NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736493086 598648247 /nfs/dbraw/zinc/64/82/47/598648247.db2.gz RIEOCHTYJHBOFU-UHFFFAOYSA-N -1 3 369.450 3.386 20 0 FGADHM C[C@@H](Nc1cc(N2CCC[C@@H](C)C2)ncn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736278334 598649960 /nfs/dbraw/zinc/64/99/60/598649960.db2.gz RNYBIVFHJHZXNP-ZIAGYGMSSA-N -1 3 364.457 3.066 20 0 FGADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccc(-c2ccccc2)[nH]1 ZINC000736818453 598650521 /nfs/dbraw/zinc/65/05/21/598650521.db2.gz PXQBXGUJVSQEMN-UHFFFAOYSA-N -1 3 358.405 3.134 20 0 FGADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccc(-c2ccccc2)[nH]1 ZINC000736818453 598650522 /nfs/dbraw/zinc/65/05/22/598650522.db2.gz PXQBXGUJVSQEMN-UHFFFAOYSA-N -1 3 358.405 3.134 20 0 FGADHM Cc1ccc2c(c1)CC[C@H]2NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000737379433 598655542 /nfs/dbraw/zinc/65/55/42/598655542.db2.gz XWNQODIRTRJTRN-QGZVFWFLSA-N -1 3 365.462 3.071 20 0 FGADHM Cc1ccc2c(c1)CC[C@H]2NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000737379433 598655544 /nfs/dbraw/zinc/65/55/44/598655544.db2.gz XWNQODIRTRJTRN-QGZVFWFLSA-N -1 3 365.462 3.071 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H](C)CSc1ccccc1 ZINC000737058873 598656233 /nfs/dbraw/zinc/65/62/33/598656233.db2.gz PGVVTSLNBIADDA-GFCCVEGCSA-N -1 3 369.450 3.242 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H](C)CSc1ccccc1 ZINC000737058873 598656235 /nfs/dbraw/zinc/65/62/35/598656235.db2.gz PGVVTSLNBIADDA-GFCCVEGCSA-N -1 3 369.450 3.242 20 0 FGADHM CN(C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)C(C1CC1)C1CC1 ZINC000736731422 598656499 /nfs/dbraw/zinc/65/64/99/598656499.db2.gz CQPZVEYMAREIHM-UHFFFAOYSA-N -1 3 369.469 3.063 20 0 FGADHM CN(C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)C(C1CC1)C1CC1 ZINC000736731422 598656500 /nfs/dbraw/zinc/65/65/00/598656500.db2.gz CQPZVEYMAREIHM-UHFFFAOYSA-N -1 3 369.469 3.063 20 0 FGADHM CCc1c(C)sc(NC(=O)c2ccc(C(C)=O)cc2)c1-c1nnn[n-]1 ZINC000736676306 598657423 /nfs/dbraw/zinc/65/74/23/598657423.db2.gz REHCQLCHRSMIBF-UHFFFAOYSA-N -1 3 355.423 3.254 20 0 FGADHM CCc1c(C)sc(NC(=O)c2ccc(C(C)=O)cc2)c1-c1nn[n-]n1 ZINC000736676306 598657425 /nfs/dbraw/zinc/65/74/25/598657425.db2.gz REHCQLCHRSMIBF-UHFFFAOYSA-N -1 3 355.423 3.254 20 0 FGADHM CC[C@@H](C)CN(C)C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000736322911 598666780 /nfs/dbraw/zinc/66/67/80/598666780.db2.gz RAAVFLITJUOMMQ-CYBMUJFWSA-N -1 3 366.425 3.172 20 0 FGADHM CC[C@@H](C)CN(C)C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000736322911 598666782 /nfs/dbraw/zinc/66/67/82/598666782.db2.gz RAAVFLITJUOMMQ-CYBMUJFWSA-N -1 3 366.425 3.172 20 0 FGADHM C[C@H](SCc1ccc(F)cc1-c1nnn[n-]1)C(=O)Nc1ccccc1 ZINC000736192178 598695958 /nfs/dbraw/zinc/69/59/58/598695958.db2.gz LHKKHPQAZGCRHK-NSHDSACASA-N -1 3 357.414 3.266 20 0 FGADHM C[C@H](SCc1ccc(F)cc1-c1nn[n-]n1)C(=O)Nc1ccccc1 ZINC000736192178 598695960 /nfs/dbraw/zinc/69/59/60/598695960.db2.gz LHKKHPQAZGCRHK-NSHDSACASA-N -1 3 357.414 3.266 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)c1c(F)cccc1Cl ZINC000738231468 598703824 /nfs/dbraw/zinc/70/38/24/598703824.db2.gz NDQLLPAQTOFZGL-UHFFFAOYSA-N -1 3 350.712 3.155 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)c1c(F)cccc1Cl ZINC000738231468 598703825 /nfs/dbraw/zinc/70/38/25/598703825.db2.gz NDQLLPAQTOFZGL-UHFFFAOYSA-N -1 3 350.712 3.155 20 0 FGADHM Cc1cc(F)ccc1N(Cc1ccc(-c2nnn[n-]2)cc1)C[C@H]1CCOC1 ZINC000737271523 598704014 /nfs/dbraw/zinc/70/40/14/598704014.db2.gz WIWSALONQIRRKT-MRXNPFEDSA-N -1 3 367.428 3.357 20 0 FGADHM Cc1cc(F)ccc1N(Cc1ccc(-c2nn[n-]n2)cc1)C[C@H]1CCOC1 ZINC000737271523 598704015 /nfs/dbraw/zinc/70/40/15/598704015.db2.gz WIWSALONQIRRKT-MRXNPFEDSA-N -1 3 367.428 3.357 20 0 FGADHM C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)N1Cc1cc(-c2nn[n-]n2)ccc1F ZINC000736295336 598706872 /nfs/dbraw/zinc/70/68/72/598706872.db2.gz UKKKWJQUWQWBBF-TYILLQQXSA-N -1 3 367.428 3.356 20 0 FGADHM CCOc1ccc(CCC(=O)OCc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000736644019 598709037 /nfs/dbraw/zinc/70/90/37/598709037.db2.gz PWNWDDUBHAGRQV-UHFFFAOYSA-N -1 3 370.384 3.081 20 0 FGADHM CCOc1ccc(CCC(=O)OCc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000736644019 598709038 /nfs/dbraw/zinc/70/90/38/598709038.db2.gz PWNWDDUBHAGRQV-UHFFFAOYSA-N -1 3 370.384 3.081 20 0 FGADHM CC[C@@H]1c2ccsc2CCN1C(=O)C=Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736413215 598709242 /nfs/dbraw/zinc/70/92/42/598709242.db2.gz WEALAAMWJNTDHO-KQQSKNTNSA-N -1 3 365.462 3.477 20 0 FGADHM CC[C@@H]1c2ccsc2CCN1C(=O)C=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736413215 598709244 /nfs/dbraw/zinc/70/92/44/598709244.db2.gz WEALAAMWJNTDHO-KQQSKNTNSA-N -1 3 365.462 3.477 20 0 FGADHM Cc1cccc2cc(C(=O)OCc3ccc(F)cc3-c3nnn[n-]3)oc21 ZINC000737407658 598710923 /nfs/dbraw/zinc/71/09/23/598710923.db2.gz BVKLXDFJEQDOTJ-UHFFFAOYSA-N -1 3 352.325 3.417 20 0 FGADHM Cc1cccc2cc(C(=O)OCc3ccc(F)cc3-c3nn[n-]n3)oc21 ZINC000737407658 598710925 /nfs/dbraw/zinc/71/09/25/598710925.db2.gz BVKLXDFJEQDOTJ-UHFFFAOYSA-N -1 3 352.325 3.417 20 0 FGADHM CC(C)c1ccccc1OCCNC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000735933664 598715079 /nfs/dbraw/zinc/71/50/79/598715079.db2.gz ZNSMVTXBPRXDOZ-UHFFFAOYSA-N -1 3 366.425 3.191 20 0 FGADHM CC(C)c1ccccc1OCCNC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000735933664 598715081 /nfs/dbraw/zinc/71/50/81/598715081.db2.gz ZNSMVTXBPRXDOZ-UHFFFAOYSA-N -1 3 366.425 3.191 20 0 FGADHM FC(F)Oc1cccc(Cn2ccc(-c3ccc(-c4nnn[n-]4)cc3)n2)c1 ZINC000737640052 598723141 /nfs/dbraw/zinc/72/31/41/598723141.db2.gz YOFQHSBUVCEMGU-UHFFFAOYSA-N -1 3 368.347 3.380 20 0 FGADHM FC(F)Oc1cccc(Cn2ccc(-c3ccc(-c4nn[n-]n4)cc3)n2)c1 ZINC000737640052 598723143 /nfs/dbraw/zinc/72/31/43/598723143.db2.gz YOFQHSBUVCEMGU-UHFFFAOYSA-N -1 3 368.347 3.380 20 0 FGADHM CC(C)[C@@H]1CCCC[C@@H]1NC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000735752185 598726924 /nfs/dbraw/zinc/72/69/24/598726924.db2.gz YMZSRCVFEVTYCK-IRXDYDNUSA-N -1 3 356.474 3.223 20 0 FGADHM CC(C)[C@@H]1CCCC[C@@H]1NC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000735752185 598726926 /nfs/dbraw/zinc/72/69/26/598726926.db2.gz YMZSRCVFEVTYCK-IRXDYDNUSA-N -1 3 356.474 3.223 20 0 FGADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)N1CCCC2(CCCCC2)C1 ZINC000738117404 598731228 /nfs/dbraw/zinc/73/12/28/598731228.db2.gz RFZXSTLRYLGGHI-UHFFFAOYSA-N -1 3 354.458 3.123 20 0 FGADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)N1CCCC2(CCCCC2)C1 ZINC000738117404 598731229 /nfs/dbraw/zinc/73/12/29/598731229.db2.gz RFZXSTLRYLGGHI-UHFFFAOYSA-N -1 3 354.458 3.123 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H](C)Cc1ccccc1 ZINC000736480447 598741939 /nfs/dbraw/zinc/74/19/39/598741939.db2.gz PFNRKBXZWSWZLW-MRXNPFEDSA-N -1 3 363.465 3.484 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H](C)Cc1ccccc1 ZINC000736480447 598741942 /nfs/dbraw/zinc/74/19/42/598741942.db2.gz PFNRKBXZWSWZLW-MRXNPFEDSA-N -1 3 363.465 3.484 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H](CC)Cc1ccccc1 ZINC000736636186 598763156 /nfs/dbraw/zinc/76/31/56/598763156.db2.gz PFBRSPTUUZRSPE-HNNXBMFYSA-N -1 3 365.437 3.473 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H](CC)Cc1ccccc1 ZINC000736636186 598763158 /nfs/dbraw/zinc/76/31/58/598763158.db2.gz PFBRSPTUUZRSPE-HNNXBMFYSA-N -1 3 365.437 3.473 20 0 FGADHM CCC(=CC(=O)OCCOc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000736301804 598780143 /nfs/dbraw/zinc/78/01/43/598780143.db2.gz BUCCPYJWOMXUQV-CCEZHUSRSA-N -1 3 364.405 3.282 20 0 FGADHM CCC(=CC(=O)OCCOc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000736301805 598780345 /nfs/dbraw/zinc/78/03/45/598780345.db2.gz BUCCPYJWOMXUQV-PFONDFGASA-N -1 3 364.405 3.282 20 0 FGADHM CC(C)N(Cc1ccc(F)cc1)C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000735874060 598783045 /nfs/dbraw/zinc/78/30/45/598783045.db2.gz LUNIIQIJNKHEAJ-UHFFFAOYSA-N -1 3 368.416 3.126 20 0 FGADHM CC(C)N(Cc1ccc(F)cc1)C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000735874060 598783046 /nfs/dbraw/zinc/78/30/46/598783046.db2.gz LUNIIQIJNKHEAJ-UHFFFAOYSA-N -1 3 368.416 3.126 20 0 FGADHM CCCCOc1ccccc1COC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736462800 598786594 /nfs/dbraw/zinc/78/65/94/598786594.db2.gz HTNOJUIMVUCYPX-UHFFFAOYSA-N -1 3 352.394 3.403 20 0 FGADHM CCCCOc1ccccc1COC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736462800 598786595 /nfs/dbraw/zinc/78/65/95/598786595.db2.gz HTNOJUIMVUCYPX-UHFFFAOYSA-N -1 3 352.394 3.403 20 0 FGADHM CCN(C(=O)CO[C@@H]1CCC[C@@H](C)C1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736504998 598789885 /nfs/dbraw/zinc/78/98/85/598789885.db2.gz KAWQCVPZZQAMIN-IIDMSEBBSA-N -1 3 371.485 3.372 20 0 FGADHM CCN(C(=O)CO[C@@H]1CCC[C@@H](C)C1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736504998 598789886 /nfs/dbraw/zinc/78/98/86/598789886.db2.gz KAWQCVPZZQAMIN-IIDMSEBBSA-N -1 3 371.485 3.372 20 0 FGADHM CSc1ccc(N(C)C(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737190460 598791419 /nfs/dbraw/zinc/79/14/19/598791419.db2.gz MMDKCDOLOBKOIG-GFCCVEGCSA-N -1 3 369.450 3.019 20 0 FGADHM FC(F)(F)CO[C@@H]1CCCN(c2ccc(Cl)cc2-c2nnn[n-]2)C1 ZINC000737628933 598794955 /nfs/dbraw/zinc/79/49/55/598794955.db2.gz YPONCLWRSUXKJB-SNVBAGLBSA-N -1 3 361.755 3.068 20 0 FGADHM FC(F)(F)CO[C@@H]1CCCN(c2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC000737628933 598794956 /nfs/dbraw/zinc/79/49/56/598794956.db2.gz YPONCLWRSUXKJB-SNVBAGLBSA-N -1 3 361.755 3.068 20 0 FGADHM Fc1cccc([C@H]2CN(c3ccc(Cl)cc3-c3nnn[n-]3)CCO2)c1 ZINC000737667473 598796040 /nfs/dbraw/zinc/79/60/40/598796040.db2.gz QUGWXLIXKPEUKI-MRXNPFEDSA-N -1 3 359.792 3.237 20 0 FGADHM Fc1cccc([C@H]2CN(c3ccc(Cl)cc3-c3nn[n-]n3)CCO2)c1 ZINC000737667473 598796041 /nfs/dbraw/zinc/79/60/41/598796041.db2.gz QUGWXLIXKPEUKI-MRXNPFEDSA-N -1 3 359.792 3.237 20 0 FGADHM O=C(CCc1ccc(Cl)cc1Cl)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000737854699 598806342 /nfs/dbraw/zinc/80/63/42/598806342.db2.gz UKJOMNPFKGJENT-UHFFFAOYSA-N -1 3 363.208 3.140 20 0 FGADHM O=C(CCc1ccc(Cl)cc1Cl)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000737854699 598806343 /nfs/dbraw/zinc/80/63/43/598806343.db2.gz UKJOMNPFKGJENT-UHFFFAOYSA-N -1 3 363.208 3.140 20 0 FGADHM CCN(C(=O)C[C@@H](C)n1cccc1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736501183 598808467 /nfs/dbraw/zinc/80/84/67/598808467.db2.gz AFHQOWNMKSLSBY-CABCVRRESA-N -1 3 352.442 3.229 20 0 FGADHM CCN(C(=O)C[C@@H](C)n1cccc1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736501183 598808468 /nfs/dbraw/zinc/80/84/68/598808468.db2.gz AFHQOWNMKSLSBY-CABCVRRESA-N -1 3 352.442 3.229 20 0 FGADHM Cc1ccc(C)c(N(CC(=O)Nc2sccc2-c2nnn[n-]2)C(C)C)c1 ZINC000737324059 598809996 /nfs/dbraw/zinc/80/99/96/598809996.db2.gz ZHKQTEPADNVEIP-UHFFFAOYSA-N -1 3 370.482 3.399 20 0 FGADHM Cc1ccc(C)c(N(CC(=O)Nc2sccc2-c2nn[n-]n2)C(C)C)c1 ZINC000737324059 598809997 /nfs/dbraw/zinc/80/99/97/598809997.db2.gz ZHKQTEPADNVEIP-UHFFFAOYSA-N -1 3 370.482 3.399 20 0 FGADHM O=C(c1cnc(C2CC2)s1)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000738291357 598818400 /nfs/dbraw/zinc/81/84/00/598818400.db2.gz WVSQOKPYWKXBDW-UHFFFAOYSA-N -1 3 366.450 3.005 20 0 FGADHM O=C(c1cnc(C2CC2)s1)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000738291357 598818402 /nfs/dbraw/zinc/81/84/02/598818402.db2.gz WVSQOKPYWKXBDW-UHFFFAOYSA-N -1 3 366.450 3.005 20 0 FGADHM CCN(C(=O)C=Cc1cncc(F)c1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736502909 598818880 /nfs/dbraw/zinc/81/88/80/598818880.db2.gz QMQRKRMWRWSBRS-VVOKDJNJSA-N -1 3 366.400 3.024 20 0 FGADHM CCN(C(=O)C=Cc1cncc(F)c1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736502909 598818882 /nfs/dbraw/zinc/81/88/82/598818882.db2.gz QMQRKRMWRWSBRS-VVOKDJNJSA-N -1 3 366.400 3.024 20 0 FGADHM CN(Cc1cnn(-c2ccccc2)c1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000821617004 599320487 /nfs/dbraw/zinc/32/04/87/599320487.db2.gz RSYAJXGSIQIHSN-UHFFFAOYSA-N -1 3 365.828 3.342 20 0 FGADHM CN(Cc1cnn(-c2ccccc2)c1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000821617004 599320489 /nfs/dbraw/zinc/32/04/89/599320489.db2.gz RSYAJXGSIQIHSN-UHFFFAOYSA-N -1 3 365.828 3.342 20 0 FGADHM Cc1cc(N2CCOCC2)ccc1N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737270190 599324227 /nfs/dbraw/zinc/32/42/27/599324227.db2.gz BZTBZDFDBHTHHQ-HNNXBMFYSA-N -1 3 364.453 3.185 20 0 FGADHM Cc1cc(N2CCOCC2)ccc1N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737270190 599324230 /nfs/dbraw/zinc/32/42/30/599324230.db2.gz BZTBZDFDBHTHHQ-HNNXBMFYSA-N -1 3 364.453 3.185 20 0 FGADHM Fc1ccc(NCCOc2cccc(-c3nnn[n-]3)c2)c(OCC2CC2)c1 ZINC000737655702 599331081 /nfs/dbraw/zinc/33/10/81/599331081.db2.gz DPQCDZMZFJISKO-UHFFFAOYSA-N -1 3 369.400 3.286 20 0 FGADHM Fc1ccc(NCCOc2cccc(-c3nn[n-]n3)c2)c(OCC2CC2)c1 ZINC000737655702 599331084 /nfs/dbraw/zinc/33/10/84/599331084.db2.gz DPQCDZMZFJISKO-UHFFFAOYSA-N -1 3 369.400 3.286 20 0 FGADHM FC(F)(F)Cc1ccccc1NCCOc1cccc(-c2nnn[n-]2)c1 ZINC000737627966 599331537 /nfs/dbraw/zinc/33/15/37/599331537.db2.gz SDOLGJDAAMYAME-UHFFFAOYSA-N -1 3 363.343 3.462 20 0 FGADHM FC(F)(F)Cc1ccccc1NCCOc1cccc(-c2nn[n-]n2)c1 ZINC000737627966 599331540 /nfs/dbraw/zinc/33/15/40/599331540.db2.gz SDOLGJDAAMYAME-UHFFFAOYSA-N -1 3 363.343 3.462 20 0 FGADHM C[C@H](SCC(=O)Nc1ccccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000736188521 599333277 /nfs/dbraw/zinc/33/32/77/599333277.db2.gz KUPKBSUMZBNOBZ-NSHDSACASA-N -1 3 357.414 3.439 20 0 FGADHM C[C@H](SCC(=O)Nc1ccccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000736188521 599333280 /nfs/dbraw/zinc/33/32/80/599333280.db2.gz KUPKBSUMZBNOBZ-NSHDSACASA-N -1 3 357.414 3.439 20 0 FGADHM C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000736236485 599343014 /nfs/dbraw/zinc/34/30/14/599343014.db2.gz JXABMSMFHZJCKB-XYPHTWIQSA-N -1 3 371.510 3.280 20 0 FGADHM C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000736236485 599343016 /nfs/dbraw/zinc/34/30/16/599343016.db2.gz JXABMSMFHZJCKB-XYPHTWIQSA-N -1 3 371.510 3.280 20 0 FGADHM CCc1cc(N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)nc(-c2ccccn2)n1 ZINC000821469599 599355806 /nfs/dbraw/zinc/35/58/06/599355806.db2.gz GYFXWTKWXSPJMR-ZDUSSCGKSA-N -1 3 372.436 3.454 20 0 FGADHM CCc1cc(N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)nc(-c2ccccn2)n1 ZINC000821469599 599355809 /nfs/dbraw/zinc/35/58/09/599355809.db2.gz GYFXWTKWXSPJMR-ZDUSSCGKSA-N -1 3 372.436 3.454 20 0 FGADHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2NCCCC(F)(F)F ZINC000822204719 599358239 /nfs/dbraw/zinc/35/82/39/599358239.db2.gz YJBORIQNRCFGIF-UHFFFAOYSA-N -1 3 354.311 3.039 20 0 FGADHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2NCCCC(F)(F)F ZINC000822204719 599358240 /nfs/dbraw/zinc/35/82/40/599358240.db2.gz YJBORIQNRCFGIF-UHFFFAOYSA-N -1 3 354.311 3.039 20 0 FGADHM CSCCCC(=O)Nc1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000737182067 599370275 /nfs/dbraw/zinc/37/02/75/599370275.db2.gz PINVMLMRKHRRMX-UHFFFAOYSA-N -1 3 360.468 3.072 20 0 FGADHM CSCCCC(=O)Nc1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000737182067 599370278 /nfs/dbraw/zinc/37/02/78/599370278.db2.gz PINVMLMRKHRRMX-UHFFFAOYSA-N -1 3 360.468 3.072 20 0 FGADHM C[C@@H](Nc1cc(F)cc(N2CCOCC2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820456305 599372944 /nfs/dbraw/zinc/37/29/44/599372944.db2.gz RVPZLVVXEHCOFM-CYBMUJFWSA-N -1 3 368.416 3.016 20 0 FGADHM C[C@@H](Nc1cc(F)cc(N2CCOCC2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820456305 599372946 /nfs/dbraw/zinc/37/29/46/599372946.db2.gz RVPZLVVXEHCOFM-CYBMUJFWSA-N -1 3 368.416 3.016 20 0 FGADHM CCC(C)(C)N(C)C(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000736315247 599373478 /nfs/dbraw/zinc/37/34/78/599373478.db2.gz QXMUSZBAPMRFOR-UHFFFAOYSA-N -1 3 369.425 3.299 20 0 FGADHM O=C(c1cccc(-c2nnn[n-]2)c1)N1CCC(c2ccccc2F)CC1 ZINC000738266471 599380088 /nfs/dbraw/zinc/38/00/88/599380088.db2.gz FEECSHUXKZANJX-UHFFFAOYSA-N -1 3 351.385 3.026 20 0 FGADHM O=C(c1cccc(-c2nn[n-]n2)c1)N1CCC(c2ccccc2F)CC1 ZINC000738266471 599380090 /nfs/dbraw/zinc/38/00/90/599380090.db2.gz FEECSHUXKZANJX-UHFFFAOYSA-N -1 3 351.385 3.026 20 0 FGADHM CC(C)n1cc2cc(NC(=O)c3sccc3-c3nn[n-]n3)ccc2n1 ZINC000735961271 599385847 /nfs/dbraw/zinc/38/58/47/599385847.db2.gz OZUGCWCXVAMRSH-UHFFFAOYSA-N -1 3 353.411 3.111 20 0 FGADHM CC(C)n1cc2cc(NC(=O)c3sccc3-c3nnn[n-]3)ccc2n1 ZINC000735961271 599385845 /nfs/dbraw/zinc/38/58/45/599385845.db2.gz OZUGCWCXVAMRSH-UHFFFAOYSA-N -1 3 353.411 3.111 20 0 FGADHM CC(C)[C@H](NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F)c1ccccc1 ZINC000820028468 599400615 /nfs/dbraw/zinc/40/06/15/599400615.db2.gz ZUFWLZCZNPKTAI-KRWDZBQOSA-N -1 3 368.416 3.202 20 0 FGADHM CC(C)[C@H](NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F)c1ccccc1 ZINC000820028468 599400618 /nfs/dbraw/zinc/40/06/18/599400618.db2.gz ZUFWLZCZNPKTAI-KRWDZBQOSA-N -1 3 368.416 3.202 20 0 FGADHM CC[C@@H](NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F)C1CCCCC1 ZINC000820920239 599430988 /nfs/dbraw/zinc/43/09/88/599430988.db2.gz NSSOYXAPGZEYHR-MRXNPFEDSA-N -1 3 360.437 3.164 20 0 FGADHM CC[C@@H](NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F)C1CCCCC1 ZINC000820920239 599430992 /nfs/dbraw/zinc/43/09/92/599430992.db2.gz NSSOYXAPGZEYHR-MRXNPFEDSA-N -1 3 360.437 3.164 20 0 FGADHM CCc1nccn1[C@@H]1CCCN(c2cc(Cl)ccc2-c2nn[n-]n2)C1 ZINC000736705964 599431736 /nfs/dbraw/zinc/43/17/36/599431736.db2.gz QVJTXEYOUOHJTJ-CYBMUJFWSA-N -1 3 357.849 3.121 20 0 FGADHM COc1cccc(CNCc2ccc(-c3nnn[n-]3)o2)c1OC1CCCC1 ZINC000821867328 599437803 /nfs/dbraw/zinc/43/78/03/599437803.db2.gz BWDMINUYTVPSCB-UHFFFAOYSA-N -1 3 369.425 3.080 20 0 FGADHM COc1cccc(CNCc2ccc(-c3nn[n-]n3)o2)c1OC1CCCC1 ZINC000821867328 599437804 /nfs/dbraw/zinc/43/78/04/599437804.db2.gz BWDMINUYTVPSCB-UHFFFAOYSA-N -1 3 369.425 3.080 20 0 FGADHM COc1ccc(-c2ccc(CNCc3ccc(-c4nnn[n-]4)o3)cc2)cc1 ZINC000821728272 599451894 /nfs/dbraw/zinc/45/18/94/599451894.db2.gz SVESRXFDJJWKGI-UHFFFAOYSA-N -1 3 361.405 3.425 20 0 FGADHM CCOc1ccc(CCNc2ccc(F)cc2-c2nnn[n-]2)cc1OCC ZINC000821417245 599464760 /nfs/dbraw/zinc/46/47/60/599464760.db2.gz JWXVKOJZNKMVSI-UHFFFAOYSA-N -1 3 371.416 3.458 20 0 FGADHM CCOc1ccc(CCNc2ccc(F)cc2-c2nn[n-]n2)cc1OCC ZINC000821417245 599464763 /nfs/dbraw/zinc/46/47/63/599464763.db2.gz JWXVKOJZNKMVSI-UHFFFAOYSA-N -1 3 371.416 3.458 20 0 FGADHM C[C@H](CNC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC000820259666 599470757 /nfs/dbraw/zinc/47/07/57/599470757.db2.gz AWBKCKHSEFCQCI-OLZOCXBDSA-N -1 3 368.416 3.170 20 0 FGADHM C[C@H](CNC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC000820259666 599470760 /nfs/dbraw/zinc/47/07/60/599470760.db2.gz AWBKCKHSEFCQCI-OLZOCXBDSA-N -1 3 368.416 3.170 20 0 FGADHM CC(C)C(=O)Nc1cccc(OCc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000735690651 599473908 /nfs/dbraw/zinc/47/39/08/599473908.db2.gz LCKSMEMOTVCWKI-UHFFFAOYSA-N -1 3 355.373 3.179 20 0 FGADHM CC(C)C(=O)Nc1cccc(OCc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000735690651 599473910 /nfs/dbraw/zinc/47/39/10/599473910.db2.gz LCKSMEMOTVCWKI-UHFFFAOYSA-N -1 3 355.373 3.179 20 0 FGADHM C[C@H](NC(=O)N1C[C@H](C)[C@H]1c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820341304 599475677 /nfs/dbraw/zinc/47/56/77/599475677.db2.gz PQSWJJFLSIHCBY-DEYYWGMASA-N -1 3 362.437 3.330 20 0 FGADHM C[C@H](NC(=O)N1C[C@H](C)[C@H]1c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820341304 599475678 /nfs/dbraw/zinc/47/56/78/599475678.db2.gz PQSWJJFLSIHCBY-DEYYWGMASA-N -1 3 362.437 3.330 20 0 FGADHM C[C@H](NC(=O)N1CCc2ccccc2[C@H]1C)c1cccc(-c2nnn[n-]2)c1 ZINC000820348987 599477621 /nfs/dbraw/zinc/47/76/21/599477621.db2.gz GYPZLGILMRWGKA-UONOGXRCSA-N -1 3 362.437 3.257 20 0 FGADHM C[C@H](NC(=O)N1CCc2ccccc2[C@H]1C)c1cccc(-c2nn[n-]n2)c1 ZINC000820348987 599477624 /nfs/dbraw/zinc/47/76/24/599477624.db2.gz GYPZLGILMRWGKA-UONOGXRCSA-N -1 3 362.437 3.257 20 0 FGADHM Cc1ccc(CNc2c(-c3nnn[n-]3)cnc3c(F)ccc(F)c32)s1 ZINC000822238892 599481016 /nfs/dbraw/zinc/48/10/16/599481016.db2.gz YUKKZUSPAJVTAQ-UHFFFAOYSA-N -1 3 358.377 3.097 20 0 FGADHM Cc1ccc(CNc2c(-c3nn[n-]n3)cnc3c(F)ccc(F)c32)s1 ZINC000822238892 599481017 /nfs/dbraw/zinc/48/10/17/599481017.db2.gz YUKKZUSPAJVTAQ-UHFFFAOYSA-N -1 3 358.377 3.097 20 0 FGADHM CCCOc1ccc(CNc2c(-c3nnn[n-]3)cnc3ccccc32)cc1 ZINC000821134557 599481799 /nfs/dbraw/zinc/48/17/99/599481799.db2.gz YMLIETJEIMFVBK-UHFFFAOYSA-N -1 3 360.421 3.238 20 0 FGADHM CCCOc1ccc(CNc2c(-c3nn[n-]n3)cnc3ccccc32)cc1 ZINC000821134557 599481800 /nfs/dbraw/zinc/48/18/00/599481800.db2.gz YMLIETJEIMFVBK-UHFFFAOYSA-N -1 3 360.421 3.238 20 0 FGADHM C[C@@H](NC(=O)N1Cc2ccccc2C[C@@H]1C)c1cccc(-c2nnn[n-]2)c1 ZINC000820351599 599485851 /nfs/dbraw/zinc/48/58/51/599485851.db2.gz PWKPMFQXZMLFHC-UONOGXRCSA-N -1 3 362.437 3.084 20 0 FGADHM C[C@@H](NC(=O)N1Cc2ccccc2C[C@@H]1C)c1cccc(-c2nn[n-]n2)c1 ZINC000820351599 599485853 /nfs/dbraw/zinc/48/58/53/599485853.db2.gz PWKPMFQXZMLFHC-UONOGXRCSA-N -1 3 362.437 3.084 20 0 FGADHM FC(F)(F)CO[C@@H]1CCCN(c2c(Cl)cccc2-c2nnn[n-]2)C1 ZINC000822718656 599486216 /nfs/dbraw/zinc/48/62/16/599486216.db2.gz NWOQAAHJNQVBEJ-SECBINFHSA-N -1 3 361.755 3.068 20 0 FGADHM FC(F)(F)CO[C@@H]1CCCN(c2c(Cl)cccc2-c2nn[n-]n2)C1 ZINC000822718656 599486217 /nfs/dbraw/zinc/48/62/17/599486217.db2.gz NWOQAAHJNQVBEJ-SECBINFHSA-N -1 3 361.755 3.068 20 0 FGADHM Cc1ncc(CN(C)c2c(-c3nnn[n-]3)cnc3c(F)ccc(F)c32)s1 ZINC000822467681 599486345 /nfs/dbraw/zinc/48/63/45/599486345.db2.gz REEUSBCSKVHHPL-UHFFFAOYSA-N -1 3 373.392 3.094 20 0 FGADHM Cc1ncc(CN(C)c2c(-c3nn[n-]n3)cnc3c(F)ccc(F)c32)s1 ZINC000822467681 599486346 /nfs/dbraw/zinc/48/63/46/599486346.db2.gz REEUSBCSKVHHPL-UHFFFAOYSA-N -1 3 373.392 3.094 20 0 FGADHM COc1ccc(CCCN(C)c2c(-c3nnn[n-]3)cnc3ccccc32)cc1 ZINC000821790104 599490454 /nfs/dbraw/zinc/49/04/54/599490454.db2.gz HYKZDNYMKAFJNK-UHFFFAOYSA-N -1 3 374.448 3.493 20 0 FGADHM COc1ccc(CCCN(C)c2c(-c3nn[n-]n3)cnc3ccccc32)cc1 ZINC000821790104 599490456 /nfs/dbraw/zinc/49/04/56/599490456.db2.gz HYKZDNYMKAFJNK-UHFFFAOYSA-N -1 3 374.448 3.493 20 0 FGADHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2N[C@@H](C)Cc1ccsc1 ZINC000822204096 599490523 /nfs/dbraw/zinc/49/05/23/599490523.db2.gz DCRUBTOWOFOVHP-NSHDSACASA-N -1 3 368.441 3.389 20 0 FGADHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2N[C@@H](C)Cc1ccsc1 ZINC000822204096 599490526 /nfs/dbraw/zinc/49/05/26/599490526.db2.gz DCRUBTOWOFOVHP-NSHDSACASA-N -1 3 368.441 3.389 20 0 FGADHM C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736237279 599492624 /nfs/dbraw/zinc/49/26/24/599492624.db2.gz WOPXDQHFADZISB-WFASDCNBSA-N -1 3 366.400 3.416 20 0 FGADHM C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736237279 599492626 /nfs/dbraw/zinc/49/26/26/599492626.db2.gz WOPXDQHFADZISB-WFASDCNBSA-N -1 3 366.400 3.416 20 0 FGADHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(N3C[C@@H](C)OC(C)(C)C3)c2c1 ZINC000822195194 599495893 /nfs/dbraw/zinc/49/58/93/599495893.db2.gz JWLRHCXHJJAYEQ-CYBMUJFWSA-N -1 3 352.442 3.035 20 0 FGADHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(N3C[C@@H](C)OC(C)(C)C3)c2c1 ZINC000822195194 599495894 /nfs/dbraw/zinc/49/58/94/599495894.db2.gz JWLRHCXHJJAYEQ-CYBMUJFWSA-N -1 3 352.442 3.035 20 0 FGADHM C[C@@H](NC(=O)c1cc(-c2ccccc2)on1)c1cccc(-c2nnn[n-]2)c1 ZINC000820385434 599514340 /nfs/dbraw/zinc/51/43/40/599514340.db2.gz RXYIZRYCKJTGCM-GFCCVEGCSA-N -1 3 360.377 3.013 20 0 FGADHM C[C@@H](NC(=O)c1cc(-c2ccccc2)on1)c1cccc(-c2nn[n-]n2)c1 ZINC000820385434 599514342 /nfs/dbraw/zinc/51/43/42/599514342.db2.gz RXYIZRYCKJTGCM-GFCCVEGCSA-N -1 3 360.377 3.013 20 0 FGADHM C[C@H](NC(=O)[C@@H]1C[C@]12CCCc1ccccc12)c1cccc(-c2nnn[n-]2)c1 ZINC000820323739 599516564 /nfs/dbraw/zinc/51/65/64/599516564.db2.gz YUPLZXCOJXSAFF-DVXDUOKCSA-N -1 3 373.460 3.338 20 0 FGADHM C[C@H](NC(=O)[C@@H]1C[C@]12CCCc1ccccc12)c1cccc(-c2nn[n-]n2)c1 ZINC000820323739 599516566 /nfs/dbraw/zinc/51/65/66/599516566.db2.gz YUPLZXCOJXSAFF-DVXDUOKCSA-N -1 3 373.460 3.338 20 0 FGADHM COc1cccc(N2CC[C@@H](Nc3c(Cl)cccc3-c3nnn[n-]3)C2)c1 ZINC000821872013 599523152 /nfs/dbraw/zinc/52/31/52/599523152.db2.gz HOPHVHMAIRQGRC-GFCCVEGCSA-N -1 3 370.844 3.220 20 0 FGADHM COc1cccc(N2CC[C@@H](Nc3c(Cl)cccc3-c3nn[n-]n3)C2)c1 ZINC000821872013 599523154 /nfs/dbraw/zinc/52/31/54/599523154.db2.gz HOPHVHMAIRQGRC-GFCCVEGCSA-N -1 3 370.844 3.220 20 0 FGADHM CS[C@H](C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000821942059 599527156 /nfs/dbraw/zinc/52/71/56/599527156.db2.gz KUHTZEYWCGMGAF-LRDDRELGSA-N -1 3 353.451 3.148 20 0 FGADHM CS[C@H](C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000821942059 599527158 /nfs/dbraw/zinc/52/71/58/599527158.db2.gz KUHTZEYWCGMGAF-LRDDRELGSA-N -1 3 353.451 3.148 20 0 FGADHM Cc1cccc2c(CCC(=O)N[C@@H](C)c3cccc(-c4nnn[n-]4)c3)c[nH]c21 ZINC000822331410 599527926 /nfs/dbraw/zinc/52/79/26/599527926.db2.gz GATWVIOGOFALHI-AWEZNQCLSA-N -1 3 374.448 3.466 20 0 FGADHM Cc1cccc2c(CCC(=O)N[C@@H](C)c3cccc(-c4nn[n-]n4)c3)c[nH]c21 ZINC000822331410 599527928 /nfs/dbraw/zinc/52/79/28/599527928.db2.gz GATWVIOGOFALHI-AWEZNQCLSA-N -1 3 374.448 3.466 20 0 FGADHM C[C@H](NC(=O)C=Cc1ccnc2ccccc12)c1cccc(-c2nnn[n-]2)c1 ZINC000820321203 599528016 /nfs/dbraw/zinc/52/80/16/599528016.db2.gz COCDMMUCNZSSCX-CMUBDUJZSA-N -1 3 370.416 3.306 20 0 FGADHM C[C@H](NC(=O)C=Cc1ccnc2ccccc12)c1cccc(-c2nn[n-]n2)c1 ZINC000820321203 599528018 /nfs/dbraw/zinc/52/80/18/599528018.db2.gz COCDMMUCNZSSCX-CMUBDUJZSA-N -1 3 370.416 3.306 20 0 FGADHM C[C@H](NC(=O)c1cc(F)c(F)cc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000820389929 599531462 /nfs/dbraw/zinc/53/14/62/599531462.db2.gz BZGPESHHSHRJRY-QMMMGPOBSA-N -1 3 363.755 3.289 20 0 FGADHM C[C@H](NC(=O)c1cc(F)c(F)cc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000820389929 599531463 /nfs/dbraw/zinc/53/14/63/599531463.db2.gz BZGPESHHSHRJRY-QMMMGPOBSA-N -1 3 363.755 3.289 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCC(=O)c1cccc2ccccc21 ZINC000826251816 607382800 /nfs/dbraw/zinc/38/28/00/607382800.db2.gz BSUYIPAIKLXJIO-UHFFFAOYSA-N -1 3 372.384 3.368 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCC(=O)c1cccc2ccccc21 ZINC000826251816 607382802 /nfs/dbraw/zinc/38/28/02/607382802.db2.gz BSUYIPAIKLXJIO-UHFFFAOYSA-N -1 3 372.384 3.368 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCc1coc(-c2cccs2)n1 ZINC000826252358 607383213 /nfs/dbraw/zinc/38/32/13/607383213.db2.gz AFGRQTVTVHQGSP-UHFFFAOYSA-N -1 3 367.390 3.249 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCc1coc(-c2cccs2)n1 ZINC000826252358 607383215 /nfs/dbraw/zinc/38/32/15/607383215.db2.gz AFGRQTVTVHQGSP-UHFFFAOYSA-N -1 3 367.390 3.249 20 0 FGADHM C[C@@H](NC(=O)c1cccc(Br)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820396545 599544166 /nfs/dbraw/zinc/54/41/66/599544166.db2.gz GHRVYHFJMAMSSK-SNVBAGLBSA-N -1 3 372.226 3.120 20 0 FGADHM C[C@@H](NC(=O)c1cccc(Br)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820396545 599544168 /nfs/dbraw/zinc/54/41/68/599544168.db2.gz GHRVYHFJMAMSSK-SNVBAGLBSA-N -1 3 372.226 3.120 20 0 FGADHM C[C@H]1c2c(F)cccc2CCN1C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000736300288 599554358 /nfs/dbraw/zinc/55/43/58/599554358.db2.gz AAMIPUZDODTACE-ZDUSSCGKSA-N -1 3 365.412 3.084 20 0 FGADHM C[C@H]1c2c(F)cccc2CCN1C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000736300288 599554359 /nfs/dbraw/zinc/55/43/59/599554359.db2.gz AAMIPUZDODTACE-ZDUSSCGKSA-N -1 3 365.412 3.084 20 0 FGADHM C[C@@H]1CCN(C(=O)Nc2cccc(-c3nnn[n-]3)c2)[C@@H](c2ccco2)C1 ZINC000820716741 599557233 /nfs/dbraw/zinc/55/72/33/599557233.db2.gz KTWPMLWVOBYNPO-IUODEOHRSA-N -1 3 352.398 3.465 20 0 FGADHM C[C@@H]1CCN(C(=O)Nc2cccc(-c3nn[n-]n3)c2)[C@@H](c2ccco2)C1 ZINC000820716741 599557235 /nfs/dbraw/zinc/55/72/35/599557235.db2.gz KTWPMLWVOBYNPO-IUODEOHRSA-N -1 3 352.398 3.465 20 0 FGADHM O=C(Nc1ccccn1)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738198304 599563906 /nfs/dbraw/zinc/56/39/06/599563906.db2.gz SMMKUORQFFEOTP-UHFFFAOYSA-N -1 3 357.377 3.258 20 0 FGADHM Clc1ccc2ncc(-c3nnn[n-]3)c(NCCNc3ccccc3)c2c1 ZINC000822581548 599565148 /nfs/dbraw/zinc/56/51/48/599565148.db2.gz JHUJDQNEHIDTHP-UHFFFAOYSA-N -1 3 365.828 3.014 20 0 FGADHM Clc1ccc2ncc(-c3nn[n-]n3)c(NCCNc3ccccc3)c2c1 ZINC000822581548 599565150 /nfs/dbraw/zinc/56/51/50/599565150.db2.gz JHUJDQNEHIDTHP-UHFFFAOYSA-N -1 3 365.828 3.014 20 0 FGADHM O=C(c1ccc(F)cc1)[C@@H]1CCCN(c2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000823488427 599567394 /nfs/dbraw/zinc/56/73/94/599567394.db2.gz MLTXQTQSTLERMI-CYBMUJFWSA-N -1 3 369.375 3.244 20 0 FGADHM O=C(c1ccc(F)cc1)[C@@H]1CCCN(c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000823488427 599567396 /nfs/dbraw/zinc/56/73/96/599567396.db2.gz MLTXQTQSTLERMI-CYBMUJFWSA-N -1 3 369.375 3.244 20 0 FGADHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2N(C)CCCOC(C)C ZINC000822203113 599569361 /nfs/dbraw/zinc/56/93/61/599569361.db2.gz FIAUJWMCIYEZDN-UHFFFAOYSA-N -1 3 358.421 3.114 20 0 FGADHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2N(C)CCCOC(C)C ZINC000822203113 599569363 /nfs/dbraw/zinc/56/93/63/599569363.db2.gz FIAUJWMCIYEZDN-UHFFFAOYSA-N -1 3 358.421 3.114 20 0 FGADHM C[C@@H]1c2ccccc2CCN1Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000820827744 599574179 /nfs/dbraw/zinc/57/41/79/599574179.db2.gz WMXVWTSAGGYPFY-CYBMUJFWSA-N -1 3 373.420 3.036 20 0 FGADHM C[C@@H]1c2ccccc2CCN1Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000820827744 599574181 /nfs/dbraw/zinc/57/41/81/599574181.db2.gz WMXVWTSAGGYPFY-CYBMUJFWSA-N -1 3 373.420 3.036 20 0 FGADHM c1ccc(C[C@@H]2CCN(c3cc(-c4nnn[n-]4)c4ccccc4n3)C2)cc1 ZINC000823779930 599580786 /nfs/dbraw/zinc/58/07/86/599580786.db2.gz LOFSJTLFEWMJGS-INIZCTEOSA-N -1 3 356.433 3.484 20 0 FGADHM c1ccc(C[C@@H]2CCN(c3cc(-c4nn[n-]n4)c4ccccc4n3)C2)cc1 ZINC000823779930 599580788 /nfs/dbraw/zinc/58/07/88/599580788.db2.gz LOFSJTLFEWMJGS-INIZCTEOSA-N -1 3 356.433 3.484 20 0 FGADHM COC[C@H](Nc1cc(C)c(-c2nnn[n-]2)c2nc3ccccc3n21)C(C)C ZINC000821683543 599588136 /nfs/dbraw/zinc/58/81/36/599588136.db2.gz DBDFNOKHXWDLGG-AWEZNQCLSA-N -1 3 365.441 3.059 20 0 FGADHM COC[C@H](Nc1cc(C)c(-c2nn[n-]n2)c2nc3ccccc3n21)C(C)C ZINC000821683543 599588138 /nfs/dbraw/zinc/58/81/38/599588138.db2.gz DBDFNOKHXWDLGG-AWEZNQCLSA-N -1 3 365.441 3.059 20 0 FGADHM C[C@@H](C(=O)OCc1cn2ccccc2c1-c1nnn[n-]1)c1cccs1 ZINC000735572088 599606648 /nfs/dbraw/zinc/60/66/48/599606648.db2.gz QTJYXTSWILRYGL-LLVKDONJSA-N -1 3 353.407 3.028 20 0 FGADHM C[C@@H](C(=O)OCc1cn2ccccc2c1-c1nn[n-]n1)c1cccs1 ZINC000735572088 599606650 /nfs/dbraw/zinc/60/66/50/599606650.db2.gz QTJYXTSWILRYGL-LLVKDONJSA-N -1 3 353.407 3.028 20 0 FGADHM C[C@H](CCc1ccccc1F)C(=O)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000820254189 599623141 /nfs/dbraw/zinc/62/31/41/599623141.db2.gz NGBFHNKZWOMEIL-CYBMUJFWSA-N -1 3 354.385 3.318 20 0 FGADHM C[C@H](CCc1ccccc1F)C(=O)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000820254189 599623142 /nfs/dbraw/zinc/62/31/42/599623142.db2.gz NGBFHNKZWOMEIL-CYBMUJFWSA-N -1 3 354.385 3.318 20 0 FGADHM CO[C@H](C)CCOC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821673819 599626922 /nfs/dbraw/zinc/62/69/22/599626922.db2.gz MAEFFCHVBCKUAI-CYBMUJFWSA-N -1 3 368.393 3.241 20 0 FGADHM CO[C@H](C)CCOC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821673819 599626923 /nfs/dbraw/zinc/62/69/23/599626923.db2.gz MAEFFCHVBCKUAI-CYBMUJFWSA-N -1 3 368.393 3.241 20 0 FGADHM C[C@@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@@H](C)C2)C(F)(F)F ZINC000820728735 599628508 /nfs/dbraw/zinc/62/85/08/599628508.db2.gz XVTLLWACSQNWTN-RQJHMYQMSA-N -1 3 359.377 3.190 20 0 FGADHM C[C@@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@@H](C)C2)C(F)(F)F ZINC000820728735 599628509 /nfs/dbraw/zinc/62/85/09/599628509.db2.gz XVTLLWACSQNWTN-RQJHMYQMSA-N -1 3 359.377 3.190 20 0 FGADHM C[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccco1 ZINC000819867107 599633511 /nfs/dbraw/zinc/63/35/11/599633511.db2.gz RLIJFRCSGAWCOH-QMMMGPOBSA-N -1 3 351.288 3.221 20 0 FGADHM C[C@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccco1 ZINC000819867107 599633512 /nfs/dbraw/zinc/63/35/12/599633512.db2.gz RLIJFRCSGAWCOH-QMMMGPOBSA-N -1 3 351.288 3.221 20 0 FGADHM C[C@H]1CN(Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)Cc2ccccc21 ZINC000820760080 599635477 /nfs/dbraw/zinc/63/54/77/599635477.db2.gz PMRQXIIJLJEYPW-ZDUSSCGKSA-N -1 3 373.420 3.036 20 0 FGADHM C[C@H]1CN(Cc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)Cc2ccccc21 ZINC000820760080 599635478 /nfs/dbraw/zinc/63/54/78/599635478.db2.gz PMRQXIIJLJEYPW-ZDUSSCGKSA-N -1 3 373.420 3.036 20 0 FGADHM Cc1ccc(-c2cnc(COC(=O)c3cccc(-c4nnn[n-]4)c3)o2)cc1 ZINC000822213952 599648279 /nfs/dbraw/zinc/64/82/79/599648279.db2.gz ITNAIBHHXMUGEV-UHFFFAOYSA-N -1 3 361.361 3.187 20 0 FGADHM Cc1ccc(-c2cnc(COC(=O)c3cccc(-c4nn[n-]n4)c3)o2)cc1 ZINC000822213952 599648280 /nfs/dbraw/zinc/64/82/80/599648280.db2.gz ITNAIBHHXMUGEV-UHFFFAOYSA-N -1 3 361.361 3.187 20 0 FGADHM C[C@@H](CCOc1ccccc1)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820249637 599651781 /nfs/dbraw/zinc/65/17/81/599651781.db2.gz XXCXVGHLWRURLM-GJZGRUSLSA-N -1 3 365.437 3.149 20 0 FGADHM C[C@@H](CCOc1ccccc1)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820249637 599651782 /nfs/dbraw/zinc/65/17/82/599651782.db2.gz XXCXVGHLWRURLM-GJZGRUSLSA-N -1 3 365.437 3.149 20 0 FGADHM CN(C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1)C1CCC1 ZINC000821572307 599675816 /nfs/dbraw/zinc/67/58/16/599675816.db2.gz ZIEGUXHTVHKNSD-UHFFFAOYSA-N -1 3 368.466 3.289 20 0 FGADHM CCSCC[C@@H](C)N(C)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821454086 599681520 /nfs/dbraw/zinc/68/15/20/599681520.db2.gz CZWQJGAKKROVNS-OLZOCXBDSA-N -1 3 362.503 3.101 20 0 FGADHM CCSCC[C@@H](C)N(C)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821454086 599681521 /nfs/dbraw/zinc/68/15/21/599681521.db2.gz CZWQJGAKKROVNS-OLZOCXBDSA-N -1 3 362.503 3.101 20 0 FGADHM CCSCC[C@H](C)N(C)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821454089 599681551 /nfs/dbraw/zinc/68/15/51/599681551.db2.gz CZWQJGAKKROVNS-QWHCGFSZSA-N -1 3 362.503 3.101 20 0 FGADHM CCSCC[C@H](C)N(C)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821454089 599681552 /nfs/dbraw/zinc/68/15/52/599681552.db2.gz CZWQJGAKKROVNS-QWHCGFSZSA-N -1 3 362.503 3.101 20 0 FGADHM CCOC(=O)c1sc(NC(=O)CC(C)(C)CC)c(-c2nnn[n-]2)c1C ZINC000821346082 599689904 /nfs/dbraw/zinc/68/99/04/599689904.db2.gz CQIIUGDWBZEDAM-UHFFFAOYSA-N -1 3 365.459 3.178 20 0 FGADHM CCOC(=O)c1sc(NC(=O)CC(C)(C)CC)c(-c2nn[n-]n2)c1C ZINC000821346082 599689905 /nfs/dbraw/zinc/68/99/05/599689905.db2.gz CQIIUGDWBZEDAM-UHFFFAOYSA-N -1 3 365.459 3.178 20 0 FGADHM CCCC[C@H](C(=O)[O-])N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000736979921 599706656 /nfs/dbraw/zinc/70/66/56/599706656.db2.gz RAXUPEMDNVYGBF-CQSZACIVSA-N -1 3 373.280 3.395 20 0 FGADHM CCC(CC)n1ccc(COC(=O)c2ccc(-c3nnn[n-]3)cc2C)n1 ZINC000825113730 607388812 /nfs/dbraw/zinc/38/88/12/607388812.db2.gz DTAAQYBXLRKSRV-UHFFFAOYSA-N -1 3 354.414 3.090 20 0 FGADHM CCC(CC)n1ccc(COC(=O)c2ccc(-c3nn[n-]n3)cc2C)n1 ZINC000825113730 607388813 /nfs/dbraw/zinc/38/88/13/607388813.db2.gz DTAAQYBXLRKSRV-UHFFFAOYSA-N -1 3 354.414 3.090 20 0 FGADHM Cc1ccsc1[C@H]1C[C@H]1C(=O)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000826316318 607391557 /nfs/dbraw/zinc/39/15/57/607391557.db2.gz KHIITPRSMRPQTI-UONOGXRCSA-N -1 3 358.398 3.223 20 0 FGADHM Cc1ccsc1[C@H]1C[C@H]1C(=O)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000826316318 607391559 /nfs/dbraw/zinc/39/15/59/607391559.db2.gz KHIITPRSMRPQTI-UONOGXRCSA-N -1 3 358.398 3.223 20 0 FGADHM Cc1cncc(C=CC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)c1 ZINC000822399774 607392526 /nfs/dbraw/zinc/39/25/26/607392526.db2.gz MQVVJDHGHKDFHL-RMKNXTFCSA-N -1 3 362.437 3.021 20 0 FGADHM Cc1cncc(C=CC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)c1 ZINC000822399774 607392528 /nfs/dbraw/zinc/39/25/28/607392528.db2.gz MQVVJDHGHKDFHL-RMKNXTFCSA-N -1 3 362.437 3.021 20 0 FGADHM O=C(Nc1cc(F)ccc1Cl)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826451682 607393440 /nfs/dbraw/zinc/39/34/40/607393440.db2.gz QUHNXMSJCSYMJQ-UHFFFAOYSA-N -1 3 372.791 3.470 20 0 FGADHM O=C(Nc1cc(F)ccc1Cl)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826451682 607393442 /nfs/dbraw/zinc/39/34/42/607393442.db2.gz QUHNXMSJCSYMJQ-UHFFFAOYSA-N -1 3 372.791 3.470 20 0 FGADHM CC(C)(C)CCN1CCN(C(=O)Nc2ccc(CCC(=O)[O-])cc2)CC1 ZINC000736248658 599830354 /nfs/dbraw/zinc/83/03/54/599830354.db2.gz NJLVRZKJUDBMAC-UHFFFAOYSA-N -1 3 361.486 3.290 20 0 FGADHM Cc1ccsc1[C@H]1C[C@H]1C(=O)OCc1ccc(-c2nnn[n-]2)cc1F ZINC000826316795 607391811 /nfs/dbraw/zinc/39/18/11/607391811.db2.gz YUMSRHHNCHCNIU-QWHCGFSZSA-N -1 3 358.398 3.223 20 0 FGADHM Cc1ccsc1[C@H]1C[C@H]1C(=O)OCc1ccc(-c2nn[n-]n2)cc1F ZINC000826316795 607391812 /nfs/dbraw/zinc/39/18/12/607391812.db2.gz YUMSRHHNCHCNIU-QWHCGFSZSA-N -1 3 358.398 3.223 20 0 FGADHM CCc1ccccc1C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000821492732 607400927 /nfs/dbraw/zinc/40/09/27/607400927.db2.gz VDNMPNVINVMLTJ-UHFFFAOYSA-N -1 3 351.410 3.469 20 0 FGADHM CCc1ccccc1C(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000821492732 607400928 /nfs/dbraw/zinc/40/09/28/607400928.db2.gz VDNMPNVINVMLTJ-UHFFFAOYSA-N -1 3 351.410 3.469 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)[C@H]1SCCc2ccccc21 ZINC000826252964 607404174 /nfs/dbraw/zinc/40/41/74/607404174.db2.gz ANVKUSFRKDDNIE-KRWDZBQOSA-N -1 3 366.446 3.249 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)[C@H]1SCCc2ccccc21 ZINC000826252964 607404175 /nfs/dbraw/zinc/40/41/75/607404175.db2.gz ANVKUSFRKDDNIE-KRWDZBQOSA-N -1 3 366.446 3.249 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)c1ccc(-c2cnco2)cc1 ZINC000826253765 607406867 /nfs/dbraw/zinc/40/68/67/607406867.db2.gz CTQKQPIDBNMFCS-UHFFFAOYSA-N -1 3 361.361 3.187 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)c1ccc(-c2cnco2)cc1 ZINC000826253765 607406869 /nfs/dbraw/zinc/40/68/69/607406869.db2.gz CTQKQPIDBNMFCS-UHFFFAOYSA-N -1 3 361.361 3.187 20 0 FGADHM C[C@@H](NC(=O)CN(C[C@H](C)C(=O)[O-])C1CC1)c1cccc2ccccc21 ZINC000736577663 599951120 /nfs/dbraw/zinc/95/11/20/599951120.db2.gz FKDPWHUYGZTVDP-LSDHHAIUSA-N -1 3 354.450 3.202 20 0 FGADHM Cc1nn(-c2ccccc2)cc1C(=O)OCc1ccc(-c2nnn[n-]2)cc1C ZINC000826254763 607410248 /nfs/dbraw/zinc/41/02/48/607410248.db2.gz ZQNGJGWMGOBXCP-UHFFFAOYSA-N -1 3 374.404 3.026 20 0 FGADHM Cc1nn(-c2ccccc2)cc1C(=O)OCc1ccc(-c2nn[n-]n2)cc1C ZINC000826254763 607410249 /nfs/dbraw/zinc/41/02/49/607410249.db2.gz ZQNGJGWMGOBXCP-UHFFFAOYSA-N -1 3 374.404 3.026 20 0 FGADHM Cc1cccc(CN(CCN(C)C)C(=O)Nc2ccc(CC(=O)[O-])cc2)c1 ZINC000738709881 600010079 /nfs/dbraw/zinc/01/00/79/600010079.db2.gz ZYOKUEXNGMKVMY-UHFFFAOYSA-N -1 3 369.465 3.218 20 0 FGADHM Cc1cc(NC(=O)N(CCN(C)C)Cc2ccccc2)ccc1C(=O)[O-] ZINC000738437345 600017973 /nfs/dbraw/zinc/01/79/73/600017973.db2.gz FNDVOJUJTMUCIF-UHFFFAOYSA-N -1 3 355.438 3.289 20 0 FGADHM Cc1cc(C(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)c2ccccc2n1 ZINC000826258274 607417990 /nfs/dbraw/zinc/41/79/90/607417990.db2.gz GBMRLKPGEMUULO-UHFFFAOYSA-N -1 3 370.416 3.142 20 0 FGADHM Cc1cc(C(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)c2ccccc2n1 ZINC000826258274 607417993 /nfs/dbraw/zinc/41/79/93/607417993.db2.gz GBMRLKPGEMUULO-UHFFFAOYSA-N -1 3 370.416 3.142 20 0 FGADHM O=C([O-])c1cc(F)ccc1CN1CCC(C(=O)NC2CCCCC2)CC1 ZINC000740079797 600091177 /nfs/dbraw/zinc/09/11/77/600091177.db2.gz USUSNFMIVSOPMS-UHFFFAOYSA-N -1 3 362.445 3.185 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)CCCc1ccc(C)s1 ZINC000821740705 607419359 /nfs/dbraw/zinc/41/93/59/607419359.db2.gz AZAHHGZXTDIZLI-UHFFFAOYSA-N -1 3 372.450 3.311 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)CCCc1ccc(C)s1 ZINC000821740705 607419362 /nfs/dbraw/zinc/41/93/62/607419362.db2.gz AZAHHGZXTDIZLI-UHFFFAOYSA-N -1 3 372.450 3.311 20 0 FGADHM O=C(C=Cc1ccc(Cl)cc1)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826400051 607419498 /nfs/dbraw/zinc/41/94/98/607419498.db2.gz NTQDSZUQSDMVNA-TWGQIWQCSA-N -1 3 365.824 3.339 20 0 FGADHM O=C(C=Cc1ccc(Cl)cc1)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826400051 607419501 /nfs/dbraw/zinc/41/95/01/607419501.db2.gz NTQDSZUQSDMVNA-TWGQIWQCSA-N -1 3 365.824 3.339 20 0 FGADHM Cc1cc(C(=O)NC2CCN([C@@H](C(=O)[O-])c3ccc(F)cc3)CC2)c(C)o1 ZINC000738329311 600144862 /nfs/dbraw/zinc/14/48/62/600144862.db2.gz BRBHTSJEUOTIEG-GOSISDBHSA-N -1 3 374.412 3.056 20 0 FGADHM CC(C)Oc1ccc(NC(=O)N(C)Cc2ccccc2)cc1-c1nnn[n-]1 ZINC000820166690 607425798 /nfs/dbraw/zinc/42/57/98/607425798.db2.gz ZZVMFHKSCMKDCL-UHFFFAOYSA-N -1 3 366.425 3.318 20 0 FGADHM CC(C)Oc1ccc(NC(=O)N(C)Cc2ccccc2)cc1-c1nn[n-]n1 ZINC000820166690 607425799 /nfs/dbraw/zinc/42/57/99/607425799.db2.gz ZZVMFHKSCMKDCL-UHFFFAOYSA-N -1 3 366.425 3.318 20 0 FGADHM Cc1ccc2c(CC(=O)NC3(c4cccc(-c5nnn[n-]5)c4)CC3)coc2c1 ZINC000826293288 607425986 /nfs/dbraw/zinc/42/59/86/607425986.db2.gz JSCLHWXVOHNDKZ-UHFFFAOYSA-N -1 3 373.416 3.269 20 0 FGADHM Cc1ccc2c(CC(=O)NC3(c4cccc(-c5nn[n-]n5)c4)CC3)coc2c1 ZINC000826293288 607425988 /nfs/dbraw/zinc/42/59/88/607425988.db2.gz JSCLHWXVOHNDKZ-UHFFFAOYSA-N -1 3 373.416 3.269 20 0 FGADHM CC(C)Oc1ccc(NC(=O)N2CCc3ccccc32)cc1-c1nnn[n-]1 ZINC000820166270 607429070 /nfs/dbraw/zinc/42/90/70/607429070.db2.gz VEMZGEVBXVGMKI-UHFFFAOYSA-N -1 3 364.409 3.249 20 0 FGADHM CC(C)Oc1ccc(NC(=O)N2CCc3ccccc32)cc1-c1nn[n-]n1 ZINC000820166270 607429071 /nfs/dbraw/zinc/42/90/71/607429071.db2.gz VEMZGEVBXVGMKI-UHFFFAOYSA-N -1 3 364.409 3.249 20 0 FGADHM C[C@H](CN(C(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1)C1CC1)C(=O)[O-] ZINC000736561747 600249829 /nfs/dbraw/zinc/24/98/29/600249829.db2.gz MCBAFXYLNPMPCJ-IAGOWNOFSA-N -1 3 372.509 3.041 20 0 FGADHM CN(C)[C@H](CNC(=O)Nc1ccc(CN(C)C(=O)[O-])cc1)c1ccccc1 ZINC000737484205 600347714 /nfs/dbraw/zinc/34/77/14/600347714.db2.gz VTGSKHDHZBTAKG-GOSISDBHSA-N -1 3 370.453 3.221 20 0 FGADHM O=C([O-])c1cc(NC(=O)NC[C@H](c2ccccc2)N2CCCC2)ccc1F ZINC000739405073 600386519 /nfs/dbraw/zinc/38/65/19/600386519.db2.gz RQUGBUJEXVNUJS-GOSISDBHSA-N -1 3 371.412 3.483 20 0 FGADHM CN(C(=O)CSc1ccc2c(c1)CCC2)c1ccc(-c2nnn[n-]2)cc1 ZINC000825820430 607440526 /nfs/dbraw/zinc/44/05/26/607440526.db2.gz FEAMBYWDIOOKTR-UHFFFAOYSA-N -1 3 365.462 3.111 20 0 FGADHM CN(C(=O)CSc1ccc2c(c1)CCC2)c1ccc(-c2nn[n-]n2)cc1 ZINC000825820430 607440528 /nfs/dbraw/zinc/44/05/28/607440528.db2.gz FEAMBYWDIOOKTR-UHFFFAOYSA-N -1 3 365.462 3.111 20 0 FGADHM Cc1ccc2c(c1)CC[C@H]2NC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826294137 607453604 /nfs/dbraw/zinc/45/36/04/607453604.db2.gz JWZHNHGZCNHKIW-GOSISDBHSA-N -1 3 374.448 3.151 20 0 FGADHM Cc1ccc2c(c1)CC[C@H]2NC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826294137 607453605 /nfs/dbraw/zinc/45/36/05/607453605.db2.gz JWZHNHGZCNHKIW-GOSISDBHSA-N -1 3 374.448 3.151 20 0 FGADHM CC(C)N(CCC(=O)[O-])C(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000736199959 600596076 /nfs/dbraw/zinc/59/60/76/600596076.db2.gz LIELJYXOVTVLNW-KRWDZBQOSA-N -1 3 360.498 3.041 20 0 FGADHM CC[C@H]1CCC[C@H](NC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)C1 ZINC000825194444 607456728 /nfs/dbraw/zinc/45/67/28/607456728.db2.gz QVAMFQHQPNSCPZ-BBRMVZONSA-N -1 3 354.458 3.124 20 0 FGADHM CC[C@H]1CCC[C@H](NC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)C1 ZINC000825194444 607456730 /nfs/dbraw/zinc/45/67/30/607456730.db2.gz QVAMFQHQPNSCPZ-BBRMVZONSA-N -1 3 354.458 3.124 20 0 FGADHM Cc1cccc([C@H](C)N[C@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)c1C ZINC000738691312 600640285 /nfs/dbraw/zinc/64/02/85/600640285.db2.gz ONPHAZQIQGOIHD-JKSUJKDBSA-N -1 3 354.450 3.357 20 0 FGADHM O=C([O-])[C@H](NCCOc1ccc(Br)cc1)c1ccccc1F ZINC000833166291 600745105 /nfs/dbraw/zinc/74/51/05/600745105.db2.gz ORBQSYMXBHFJHA-OAHLLOKOSA-N -1 3 368.202 3.383 20 0 FGADHM CC(C)[C@@H]1CN(C)CCN1Cc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000826742226 601010910 /nfs/dbraw/zinc/01/09/10/601010910.db2.gz WXHCYXSFZOKANA-KRWDZBQOSA-N -1 3 359.495 3.280 20 0 FGADHM C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000828296105 601108695 /nfs/dbraw/zinc/10/86/95/601108695.db2.gz UNZUFTUNEBDQBA-BHIYHBOVSA-N -1 3 358.482 3.000 20 0 FGADHM CCc1nnc(-c2cccc(NCc3ccc(-c4nnn[n-]4)cc3F)c2)o1 ZINC000821518192 607490595 /nfs/dbraw/zinc/49/05/95/607490595.db2.gz QXWGFPRBOOZNJE-UHFFFAOYSA-N -1 3 365.372 3.230 20 0 FGADHM CCc1nnc(-c2cccc(NCc3ccc(-c4nn[n-]n4)cc3F)c2)o1 ZINC000821518192 607490597 /nfs/dbraw/zinc/49/05/97/607490597.db2.gz QXWGFPRBOOZNJE-UHFFFAOYSA-N -1 3 365.372 3.230 20 0 FGADHM Cc1ccc(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1C(=O)[O-] ZINC000311506632 601146718 /nfs/dbraw/zinc/14/67/18/601146718.db2.gz GKGXZLXOGFWPNX-QGZVFWFLSA-N -1 3 353.422 3.089 20 0 FGADHM C[C@H](C(=O)[O-])[C@@H](NCC(=O)Nc1ccc(F)cc1Cl)c1ccccc1 ZINC000826052327 601204857 /nfs/dbraw/zinc/20/48/57/601204857.db2.gz GCUZWRPJAQWNLA-APPDUMDISA-N -1 3 364.804 3.469 20 0 FGADHM C[C@H](CSCc1ccccc1)C(=O)N(C)c1cccc(-c2nnn[n-]2)c1 ZINC000820294147 607500099 /nfs/dbraw/zinc/50/00/99/607500099.db2.gz RKBXJYZYOSDJKA-CQSZACIVSA-N -1 3 367.478 3.399 20 0 FGADHM C[C@H](CSCc1ccccc1)C(=O)N(C)c1cccc(-c2nn[n-]n2)c1 ZINC000820294147 607500102 /nfs/dbraw/zinc/50/01/02/607500102.db2.gz RKBXJYZYOSDJKA-CQSZACIVSA-N -1 3 367.478 3.399 20 0 FGADHM N=C(COc1cccc(C(=O)[O-])c1)NOCc1cc(-c2cccs2)on1 ZINC000833087636 601352704 /nfs/dbraw/zinc/35/27/04/601352704.db2.gz BMZSZCOGCNQZQQ-UHFFFAOYSA-N -1 3 373.390 3.179 20 0 FGADHM Cc1ccc(CNC(=O)C2CCN([C@@H](C)c3ccc(C(=O)[O-])o3)CC2)cc1 ZINC000832932338 601354398 /nfs/dbraw/zinc/35/43/98/601354398.db2.gz HMXQIPYGIORRHL-HNNXBMFYSA-N -1 3 370.449 3.376 20 0 FGADHM COc1ccc(CN(Cc2ccccc2)CC(F)F)cc1-c1nnn[n-]1 ZINC000826193499 607511276 /nfs/dbraw/zinc/51/12/76/607511276.db2.gz FNNPNVHGKWMYGP-UHFFFAOYSA-N -1 3 359.380 3.143 20 0 FGADHM COc1ccc(CN(Cc2ccccc2)CC(F)F)cc1-c1nn[n-]n1 ZINC000826193499 607511278 /nfs/dbraw/zinc/51/12/78/607511278.db2.gz FNNPNVHGKWMYGP-UHFFFAOYSA-N -1 3 359.380 3.143 20 0 FGADHM Cc1sc(C(=O)[O-])cc1CN1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC000833032963 601625889 /nfs/dbraw/zinc/62/58/89/601625889.db2.gz RANSEIZRYBIGAK-GFCCVEGCSA-N -1 3 352.500 3.127 20 0 FGADHM CCN(Cc1ccccc1)C(=O)CN[C@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000829722289 601655785 /nfs/dbraw/zinc/65/57/85/601655785.db2.gz JPABBBAWWGYMRG-UZLBHIALSA-N -1 3 354.450 3.087 20 0 FGADHM C/C(=C\C(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1)C(C)(C)C ZINC000825716344 601730502 /nfs/dbraw/zinc/73/05/02/601730502.db2.gz CUHZZUOGIKYBPX-RDOKFVIMSA-N -1 3 358.482 3.214 20 0 FGADHM O=C([O-])c1cc(CNCc2cccc(NC(=O)c3ccc(F)cc3)c2)c[nH]1 ZINC000833159270 601831563 /nfs/dbraw/zinc/83/15/63/601831563.db2.gz SIFGSEWKENBYLB-UHFFFAOYSA-N -1 3 367.380 3.394 20 0 FGADHM C[C@H](C1CC1)N(Cc1ccccc1)C(=O)CN1CCC(CCC(=O)[O-])CC1 ZINC000662219084 601843009 /nfs/dbraw/zinc/84/30/09/601843009.db2.gz ZFQZRXRRSLGNRD-QGZVFWFLSA-N -1 3 372.509 3.391 20 0 FGADHM C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NCc2cccc(C(=O)[O-])c2)C1 ZINC000666520824 601855926 /nfs/dbraw/zinc/85/59/26/601855926.db2.gz LEDNVWHZQZEGKO-BEFAXECRSA-N -1 3 367.449 3.020 20 0 FGADHM CN(C[C@@H](O)c1ccccc1F)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830714778 601904569 /nfs/dbraw/zinc/90/45/69/601904569.db2.gz YMEQEOKXGVTWFA-GDBMZVCRSA-N -1 3 357.303 3.034 20 0 FGADHM O=C([O-])c1ccc(CN2CCC(NC(=O)Nc3ccccc3)CC2)s1 ZINC000833159929 601945852 /nfs/dbraw/zinc/94/58/52/601945852.db2.gz MTHBZKIKYDICRQ-UHFFFAOYSA-N -1 3 359.451 3.232 20 0 FGADHM O=C([O-])[C@@]1(NC(=O)C(F)=C2CCCC2)CCCN(Cc2ccccc2)C1 ZINC000833129235 601946448 /nfs/dbraw/zinc/94/64/48/601946448.db2.gz XGRORPRUKSKKPO-HXUWFJFHSA-N -1 3 360.429 3.020 20 0 FGADHM Cn1cc([C@H]2CCN([C@H](C(=O)[O-])c3cc(Cl)cc(Cl)c3)C2)cn1 ZINC000833042839 602044199 /nfs/dbraw/zinc/04/41/99/602044199.db2.gz BSZAQCLBXDXAQM-BONVTDFDSA-N -1 3 354.237 3.342 20 0 FGADHM Cn1cc(C[C@@H]2CCN([C@H](C(=O)[O-])c3cc(Cl)cc(Cl)c3)C2)cn1 ZINC000833044309 602048522 /nfs/dbraw/zinc/04/85/22/602048522.db2.gz VJNHSPUQVNGKHC-ZBEGNZNMSA-N -1 3 368.264 3.417 20 0 FGADHM C[C@@H](CNC(=O)OC(C)(C)C)CNc1c(Cl)cccc1-c1nnn[n-]1 ZINC000824420021 607541961 /nfs/dbraw/zinc/54/19/61/607541961.db2.gz FDNLWIHFYDZWSC-SNVBAGLBSA-N -1 3 366.853 3.093 20 0 FGADHM C[C@@H](CNC(=O)OC(C)(C)C)CNc1c(Cl)cccc1-c1nn[n-]n1 ZINC000824420021 607541962 /nfs/dbraw/zinc/54/19/62/607541962.db2.gz FDNLWIHFYDZWSC-SNVBAGLBSA-N -1 3 366.853 3.093 20 0 FGADHM CC(C)[C@@H](NCCC1CCN(C(=O)[O-])CC1)c1nc(-c2ccncc2)no1 ZINC000738797147 602184351 /nfs/dbraw/zinc/18/43/51/602184351.db2.gz KASJNZOMTJGROE-MRXNPFEDSA-N -1 3 373.457 3.198 20 0 FGADHM CC(C)[C@H](NCCC1CCN(C(=O)[O-])CC1)c1nc(-c2ccncc2)no1 ZINC000738797146 602184391 /nfs/dbraw/zinc/18/43/91/602184391.db2.gz KASJNZOMTJGROE-INIZCTEOSA-N -1 3 373.457 3.198 20 0 FGADHM Cc1cc(CN2CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)oc1C(=O)[O-] ZINC000832883523 602246995 /nfs/dbraw/zinc/24/69/95/602246995.db2.gz UKMJDGHZGIHLSQ-ZIAGYGMSSA-N -1 3 366.458 3.411 20 0 FGADHM CN(C(=O)Nc1ccc(C(=O)[O-])cc1F)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000312664625 602364067 /nfs/dbraw/zinc/36/40/67/602364067.db2.gz IAYAVYSGJPFNMG-MRXNPFEDSA-N -1 3 371.412 3.262 20 0 FGADHM O=C([O-])Nc1ccc(NC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)cc1 ZINC000740708155 602503739 /nfs/dbraw/zinc/50/37/39/602503739.db2.gz OPKVSBXOLSHOOW-OAHLLOKOSA-N -1 3 354.410 3.022 20 0 FGADHM Cc1ccc(C(=O)N2C[C@H](N(C)C)Cc3ccccc32)cc1NC(=O)[O-] ZINC000830186499 602899192 /nfs/dbraw/zinc/89/91/92/602899192.db2.gz JCRWTHVWIDQAQB-MRXNPFEDSA-N -1 3 353.422 3.218 20 0 FGADHM CN(C)[C@@H](CNC(=O)Nc1cc(NC(=O)[O-])ccc1F)c1ccccc1 ZINC000739609972 603042515 /nfs/dbraw/zinc/04/25/15/603042515.db2.gz ZBNVYMGBNIITPU-INIZCTEOSA-N -1 3 360.389 3.340 20 0 FGADHM O=C([O-])Nc1ccc(F)c(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000740707441 603043172 /nfs/dbraw/zinc/04/31/72/603043172.db2.gz QIEQQWWFRBFHCI-OAHLLOKOSA-N -1 3 372.400 3.312 20 0 FGADHM O=C([O-])Nc1cccc(C(=O)NC[C@H]2CCCN2Cc2ccccc2)c1 ZINC000740029452 603175311 /nfs/dbraw/zinc/17/53/11/603175311.db2.gz RGBMKFLZELHSRF-GOSISDBHSA-N -1 3 353.422 3.171 20 0 FGADHM O=C([O-])NCc1cccc(NC(=O)N2CCN(CC3CCCCC3)CC2)c1 ZINC000740676982 603331732 /nfs/dbraw/zinc/33/17/32/603331732.db2.gz LMIKSYZLMZKPQC-UHFFFAOYSA-N -1 3 374.485 3.184 20 0 FGADHM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)N[C@H](CN(C)C)c2ccccc2)cc1 ZINC000825426923 603388362 /nfs/dbraw/zinc/38/83/62/603388362.db2.gz MCEZSRQPECFRBE-RDTXWAMCSA-N -1 3 370.453 3.440 20 0 FGADHM O=C([O-])Nc1ccc(CNC[C@H](O)c2ccccc2C(F)(F)F)cn1 ZINC000832842109 603546044 /nfs/dbraw/zinc/54/60/44/603546044.db2.gz NORBPLQUUJTRTA-ZDUSSCGKSA-N -1 3 355.316 3.014 20 0 FGADHM O=C([O-])Nc1ccc(CNC[C@@H](O)c2cccc(C(F)(F)F)c2)cn1 ZINC000832841937 603550775 /nfs/dbraw/zinc/55/07/75/603550775.db2.gz JJIMBZGFOBXJRO-CYBMUJFWSA-N -1 3 355.316 3.014 20 0 FGADHM C[C@@H](NC(=O)[O-])C1CCN(Cc2cccc(SC(=O)N(C)C)c2)CC1 ZINC000825288958 603733689 /nfs/dbraw/zinc/73/36/89/603733689.db2.gz TYDLSQIHANYUAY-CYBMUJFWSA-N -1 3 365.499 3.328 20 0 FGADHM S=C(Nc1ccccc1Cl)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826512228 607648700 /nfs/dbraw/zinc/64/87/00/607648700.db2.gz UBJYCDQPLRJQLO-UHFFFAOYSA-N -1 3 370.869 3.496 20 0 FGADHM S=C(Nc1ccccc1Cl)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826512228 607648702 /nfs/dbraw/zinc/64/87/02/607648702.db2.gz UBJYCDQPLRJQLO-UHFFFAOYSA-N -1 3 370.869 3.496 20 0 FGADHM C[C@@H](NC(=O)CN(C)C1CCC(NC(=O)[O-])CC1)c1ccccc1Cl ZINC000825115170 603780827 /nfs/dbraw/zinc/78/08/27/603780827.db2.gz JFCJFMJAWLUKJF-IYXRBSQSSA-N -1 3 367.877 3.028 20 0 FGADHM C[C@@](O)(CNCc1cccc2c1N(C(=O)[O-])CC2)c1ccc(F)cc1F ZINC000825513861 603861786 /nfs/dbraw/zinc/86/17/86/603861786.db2.gz CAOUFRCNBOPACS-LJQANCHMSA-N -1 3 362.376 3.003 20 0 FGADHM C[C@@H](NC(=O)CN(C)C1CCN(C(=O)[O-])CC1)c1ccc2ccccc2c1 ZINC000825114389 603986425 /nfs/dbraw/zinc/98/64/25/603986425.db2.gz DRCXSAWEAMBCHM-OAHLLOKOSA-N -1 3 369.465 3.091 20 0 FGADHM CN(CC1CCN(Cc2ccccc2OCC(F)(F)F)CC1)C(=O)[O-] ZINC000828259923 604046972 /nfs/dbraw/zinc/04/69/72/604046972.db2.gz OJNOJUZAMICUJN-UHFFFAOYSA-N -1 3 360.376 3.450 20 0 FGADHM O=C(OCCCOc1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826463418 607669164 /nfs/dbraw/zinc/66/91/64/607669164.db2.gz FLKKEFMGBPOHPN-UHFFFAOYSA-N -1 3 358.785 3.146 20 0 FGADHM O=C(OCCCOc1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826463418 607669165 /nfs/dbraw/zinc/66/91/65/607669165.db2.gz FLKKEFMGBPOHPN-UHFFFAOYSA-N -1 3 358.785 3.146 20 0 FGADHM COc1cc(NC(=O)N(CCN(C)C)C2CCCC2)ccc1NC(=O)[O-] ZINC000829158938 604076404 /nfs/dbraw/zinc/07/64/04/604076404.db2.gz LZLPOXUQAOEXOD-UHFFFAOYSA-N -1 3 364.446 3.123 20 0 FGADHM CN(C)CCN(C(=O)Nc1cccc2c1CCN2C(=O)[O-])C1CCCC1 ZINC000828023667 604095320 /nfs/dbraw/zinc/09/53/20/604095320.db2.gz FIRGRTVGOUNZSS-UHFFFAOYSA-N -1 3 360.458 3.065 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NC1(c2ccc(F)cc2)CCC1 ZINC000826246422 607671741 /nfs/dbraw/zinc/67/17/41/607671741.db2.gz CXAJOLIGEUCWCZ-UHFFFAOYSA-N -1 3 351.385 3.123 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NC1(c2ccc(F)cc2)CCC1 ZINC000826246422 607671743 /nfs/dbraw/zinc/67/17/43/607671743.db2.gz CXAJOLIGEUCWCZ-UHFFFAOYSA-N -1 3 351.385 3.123 20 0 FGADHM C[C@H](NC(=O)[O-])[C@@H]1CCCN(Cc2cccc(SC(=O)N(C)C)c2)C1 ZINC000825262639 604187292 /nfs/dbraw/zinc/18/72/92/604187292.db2.gz BKENUYOROBBQNK-DZGCQCFKSA-N -1 3 365.499 3.328 20 0 FGADHM O=C([O-])N1CCC[C@H](N[C@H]2CCCOc3ccc(Br)cc32)C1 ZINC000833279272 604286743 /nfs/dbraw/zinc/28/67/43/604286743.db2.gz ZLLVYUBKEHQXRH-JSGCOSHPSA-N -1 3 369.259 3.395 20 0 FGADHM Cc1ccsc1CCCC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000826316704 607685591 /nfs/dbraw/zinc/68/55/91/607685591.db2.gz WHDAONHBUVKALI-UHFFFAOYSA-N -1 3 359.430 3.015 20 0 FGADHM Cc1ccsc1CCCC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000826316704 607685593 /nfs/dbraw/zinc/68/55/93/607685593.db2.gz WHDAONHBUVKALI-UHFFFAOYSA-N -1 3 359.430 3.015 20 0 FGADHM Cc1ccc(Cl)cc1NC(=O)C[C@H](C)NCc1ccc(C(=O)[O-])o1 ZINC000832934504 604331062 /nfs/dbraw/zinc/33/10/62/604331062.db2.gz GLSJVZIMFADHDL-NSHDSACASA-N -1 3 350.802 3.447 20 0 FGADHM O=C([O-])c1ccc(OCCN2CC[C@@]3(O)CCCC[C@@H]3C2)c(Cl)c1 ZINC000833321021 604368957 /nfs/dbraw/zinc/36/89/57/604368957.db2.gz FLDLXNOYHPXHQR-KDOFPFPSSA-N -1 3 353.846 3.044 20 0 FGADHM CCC[C@H](C)NC(=O)[C@H]1CCCN([C@@H](C)c2cc(C)c(C(=O)[O-])o2)C1 ZINC000829216538 604383715 /nfs/dbraw/zinc/38/37/15/604383715.db2.gz NTHSJQIRUJTCQW-KKUMJFAQSA-N -1 3 350.459 3.364 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCS[C@H](c2ccccc2)C1 ZINC000826246267 607692383 /nfs/dbraw/zinc/69/23/83/607692383.db2.gz YPDIXHSVGMHHCA-KRWDZBQOSA-N -1 3 365.462 3.105 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCS[C@H](c2ccccc2)C1 ZINC000826246267 607692384 /nfs/dbraw/zinc/69/23/84/607692384.db2.gz YPDIXHSVGMHHCA-KRWDZBQOSA-N -1 3 365.462 3.105 20 0 FGADHM O=C(Nc1ccc(SC2CCCC2)cc1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826455176 607695517 /nfs/dbraw/zinc/69/55/17/607695517.db2.gz CJNHHWUISFUAMI-UHFFFAOYSA-N -1 3 354.439 3.482 20 0 FGADHM O=C(Nc1ccc(SC2CCCC2)cc1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826455176 607695519 /nfs/dbraw/zinc/69/55/19/607695519.db2.gz CJNHHWUISFUAMI-UHFFFAOYSA-N -1 3 354.439 3.482 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CC[C@@H]1c1ccc(Cl)cc1 ZINC000826245453 607695774 /nfs/dbraw/zinc/69/57/74/607695774.db2.gz YHZYKLUCXGOVDK-MRXNPFEDSA-N -1 3 353.813 3.416 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CC[C@@H]1c1ccc(Cl)cc1 ZINC000826245453 607695776 /nfs/dbraw/zinc/69/57/76/607695776.db2.gz YHZYKLUCXGOVDK-MRXNPFEDSA-N -1 3 353.813 3.416 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CC[C@@H](C)C[C@@H]1c1ccco1 ZINC000826244019 607698036 /nfs/dbraw/zinc/69/80/36/607698036.db2.gz DXGJGXFSRVFATG-MLGOLLRUSA-N -1 3 351.410 3.382 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CC[C@@H](C)C[C@@H]1c1ccco1 ZINC000826244019 607698038 /nfs/dbraw/zinc/69/80/38/607698038.db2.gz DXGJGXFSRVFATG-MLGOLLRUSA-N -1 3 351.410 3.382 20 0 FGADHM O=C(N[C@H](c1ccccc1)C1CCCCC1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826427530 607698797 /nfs/dbraw/zinc/69/87/97/607698797.db2.gz SSDSQHFDJUQTFY-QGZVFWFLSA-N -1 3 350.426 3.246 20 0 FGADHM O=C(N[C@H](c1ccccc1)C1CCCCC1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826427530 607698798 /nfs/dbraw/zinc/69/87/98/607698798.db2.gz SSDSQHFDJUQTFY-QGZVFWFLSA-N -1 3 350.426 3.246 20 0 FGADHM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826316488 607699489 /nfs/dbraw/zinc/69/94/89/607699489.db2.gz PVOBRZVIZAJNFP-DFBGVHRSSA-N -1 3 353.451 3.218 20 0 FGADHM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826316488 607699491 /nfs/dbraw/zinc/69/94/91/607699491.db2.gz PVOBRZVIZAJNFP-DFBGVHRSSA-N -1 3 353.451 3.218 20 0 FGADHM CCN(C(=O)c1nc(C)sc1C)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825390201 607705515 /nfs/dbraw/zinc/70/55/15/607705515.db2.gz ANAIXBKHKOCHFZ-JTQLQIEISA-N -1 3 356.455 3.163 20 0 FGADHM CCN(C(=O)c1nc(C)sc1C)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825390201 607705513 /nfs/dbraw/zinc/70/55/13/607705513.db2.gz ANAIXBKHKOCHFZ-JTQLQIEISA-N -1 3 356.455 3.163 20 0 FGADHM O=C([O-])CCc1csc(NC(=O)c2cccc(CN3CCCC3)c2)n1 ZINC000833243882 604720180 /nfs/dbraw/zinc/72/01/80/604720180.db2.gz NCKKKAQTYLUWIG-UHFFFAOYSA-N -1 3 359.451 3.008 20 0 FGADHM C[C@H](CN(CC(=O)N[C@H](C)c1ccc(Cl)cc1Cl)C1CC1)C(=O)[O-] ZINC000827450761 604746565 /nfs/dbraw/zinc/74/65/65/604746565.db2.gz ZUODICYRFMNBTL-GHMZBOCLSA-N -1 3 373.280 3.356 20 0 FGADHM CC[C@@H](CNC(=O)c1ccc(C(=O)[O-])c(F)c1)N1CCc2ccccc2C1 ZINC000828884177 604807845 /nfs/dbraw/zinc/80/78/45/604807845.db2.gz PFKXVTRUNFQEDW-KRWDZBQOSA-N -1 3 370.424 3.091 20 0 FGADHM CC(C)(C(=O)[O-])[C@H]1CCCN(CC(=O)N[C@H](c2ccccc2)C2CC2)C1 ZINC000833421192 604947594 /nfs/dbraw/zinc/94/75/94/604947594.db2.gz JRLAQMCQTQJRQY-PKOBYXMFSA-N -1 3 358.482 3.077 20 0 FGADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(CC(=O)NCCCC2CCCCC2)C1 ZINC000833421713 604950793 /nfs/dbraw/zinc/95/07/93/604950793.db2.gz ZMJDPBKUGUIGQP-QGZVFWFLSA-N -1 3 352.519 3.286 20 0 FGADHM CC(C)(C)OC(=O)NC[C@H]1CCCCN1Cc1ccccc1CC(=O)[O-] ZINC000833443063 605067242 /nfs/dbraw/zinc/06/72/42/605067242.db2.gz UNPJOUAVNAJJAA-QGZVFWFLSA-N -1 3 362.470 3.193 20 0 FGADHM C[C@@H](C[C@@H](O)c1cccs1)Nc1c(F)cc(-c2nnn[n-]2)cc1F ZINC000824390397 607732261 /nfs/dbraw/zinc/73/22/61/607732261.db2.gz AEACFYUCXBCYEM-QPUJVOFHSA-N -1 3 351.382 3.131 20 0 FGADHM C[C@@H](C[C@@H](O)c1cccs1)Nc1c(F)cc(-c2nn[n-]n2)cc1F ZINC000824390397 607732263 /nfs/dbraw/zinc/73/22/63/607732263.db2.gz AEACFYUCXBCYEM-QPUJVOFHSA-N -1 3 351.382 3.131 20 0 FGADHM C[C@@]1(NCc2nc(-c3cc(F)c(F)c(F)c3)no2)CCCC[C@@H]1C(=O)[O-] ZINC000833570463 605071665 /nfs/dbraw/zinc/07/16/65/605071665.db2.gz TXVVAIAPQAWUAK-BMLIUANNSA-N -1 3 369.343 3.277 20 0 FGADHM CC(C)c1cnc(CN(C)[C@H]2CCN(Cc3ccccc3CC(=O)[O-])C2)o1 ZINC000833511361 605072531 /nfs/dbraw/zinc/07/25/31/605072531.db2.gz NQMRPQNETZUAIE-SFHVURJKSA-N -1 3 371.481 3.131 20 0 FGADHM COC(=O)c1cc(CN2CCCO[C@@H](c3ccccc3)C2)cc(C(=O)[O-])c1 ZINC000833712348 605204108 /nfs/dbraw/zinc/20/41/08/605204108.db2.gz FPZJHEJTGDNZAZ-LJQANCHMSA-N -1 3 369.417 3.135 20 0 FGADHM Cn1ccnc1[C@@H]1CCN([C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)C1 ZINC000833761142 605219739 /nfs/dbraw/zinc/21/97/39/605219739.db2.gz YHSBBTYYZDBWHO-YGRLFVJLSA-N -1 3 354.237 3.342 20 0 FGADHM CC(C)C[C@@H](NCC(=O)Nc1nc(CC(=O)[O-])cs1)c1ccccc1 ZINC000833482811 605258468 /nfs/dbraw/zinc/25/84/68/605258468.db2.gz IKECTORBPCYTJW-OAHLLOKOSA-N -1 3 361.467 3.086 20 0 FGADHM O=C(c1ccc(-c2nnn[n-]2)[nH]1)N1Cc2ccccc2C[C@@H]1c1ccccc1 ZINC000826471529 607744580 /nfs/dbraw/zinc/74/45/80/607744580.db2.gz CRJQLYRTPVBQOZ-LJQANCHMSA-N -1 3 370.416 3.135 20 0 FGADHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1Cc2ccccc2C[C@@H]1c1ccccc1 ZINC000826471529 607744581 /nfs/dbraw/zinc/74/45/81/607744581.db2.gz CRJQLYRTPVBQOZ-LJQANCHMSA-N -1 3 370.416 3.135 20 0 FGADHM Cc1ccccc1-c1cc(NCc2cc(-c3nnn[n-]3)cs2)n(C)n1 ZINC000826305042 607751492 /nfs/dbraw/zinc/75/14/92/607751492.db2.gz IKMDDMLKKHJSTK-UHFFFAOYSA-N -1 3 351.439 3.249 20 0 FGADHM Cc1ccccc1-c1cc(NCc2cc(-c3nn[n-]n3)cs2)n(C)n1 ZINC000826305042 607751493 /nfs/dbraw/zinc/75/14/93/607751493.db2.gz IKMDDMLKKHJSTK-UHFFFAOYSA-N -1 3 351.439 3.249 20 0 FGADHM CC(C)(C(=O)[O-])[C@H]1CCCN(Cc2cc3c(cc2OC(F)F)OCO3)C1 ZINC000833420463 605548717 /nfs/dbraw/zinc/54/87/17/605548717.db2.gz SEOPHDBDYKXIDA-LBPRGKRZSA-N -1 3 371.380 3.340 20 0 FGADHM CC(C)(COc1ncccc1Br)NCc1cc(C(=O)[O-])co1 ZINC000833461896 605550447 /nfs/dbraw/zinc/55/04/47/605550447.db2.gz LMZGEAVQLXOHRD-UHFFFAOYSA-N -1 3 369.215 3.083 20 0 FGADHM Cc1nn(Cc2ccccc2)c(C)c1CN1CCC[C@@H](CNC(=O)[O-])C1 ZINC000833920223 605550620 /nfs/dbraw/zinc/55/06/20/605550620.db2.gz GTSZYVBBGGBPRT-SFHVURJKSA-N -1 3 356.470 3.028 20 0 FGADHM O=C([O-])Nc1ccc(CN(CCCO)[C@H]2CCCc3ccccc32)cn1 ZINC000834259045 605613383 /nfs/dbraw/zinc/61/33/83/605613383.db2.gz RCUPRPYWGRVXAJ-SFHVURJKSA-N -1 3 355.438 3.434 20 0 FGADHM O=C([O-])Nc1ccc(CN(CCCO)[C@@H]2CCCc3ccccc32)cn1 ZINC000834259043 605613932 /nfs/dbraw/zinc/61/39/32/605613932.db2.gz RCUPRPYWGRVXAJ-GOSISDBHSA-N -1 3 355.438 3.434 20 0 FGADHM C[C@H](NC(=O)[O-])[C@@H]1CCCN(C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)C1 ZINC000833815870 605651218 /nfs/dbraw/zinc/65/12/18/605651218.db2.gz XNIFUFDJIWCWHH-BJJXKVORSA-N -1 3 365.861 3.201 20 0 FGADHM O=C([O-])N[C@@H]1C[C@@H](NCc2ccc(Cn3cccn3)cc2)c2ccccc21 ZINC000834159286 605790285 /nfs/dbraw/zinc/79/02/85/605790285.db2.gz RTBWUJCTNVKEKT-WOJBJXKFSA-N -1 3 362.433 3.475 20 0 FGADHM O=C([O-])NC[C@@H](NCCC(=O)N1CCCCC1)c1ccc2ccccc2c1 ZINC000834204838 605974164 /nfs/dbraw/zinc/97/41/64/605974164.db2.gz BJRLWGFRCSWQSU-LJQANCHMSA-N -1 3 369.465 3.141 20 0 FGADHM CCO[C@H](CCNc1c(-c2nnn[n-]2)cnc2c(C)cc(F)cc21)C(C)C ZINC000821351435 606041473 /nfs/dbraw/zinc/04/14/73/606041473.db2.gz PTCZIXDEFIGRIF-MRXNPFEDSA-N -1 3 372.448 3.147 20 0 FGADHM CCO[C@H](CCNc1c(-c2nn[n-]n2)cnc2c(C)cc(F)cc21)C(C)C ZINC000821351435 606041477 /nfs/dbraw/zinc/04/14/77/606041477.db2.gz PTCZIXDEFIGRIF-MRXNPFEDSA-N -1 3 372.448 3.147 20 0 FGADHM O=C(Nc1cc(Cl)ccc1NC1CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823299294 606069267 /nfs/dbraw/zinc/06/92/67/606069267.db2.gz QIABRZKAWMOLEE-UHFFFAOYSA-N -1 3 354.801 3.347 20 0 FGADHM O=C(Nc1cc(Cl)ccc1NC1CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823299294 606069273 /nfs/dbraw/zinc/06/92/73/606069273.db2.gz QIABRZKAWMOLEE-UHFFFAOYSA-N -1 3 354.801 3.347 20 0 FGADHM Cc1sc(NC(=O)CN(C)c2ccc(C)c(C)c2)c(-c2nnn[n-]2)c1C ZINC000822241100 606108084 /nfs/dbraw/zinc/10/80/84/606108084.db2.gz LACABRXYTNNFJY-UHFFFAOYSA-N -1 3 370.482 3.237 20 0 FGADHM Cc1sc(NC(=O)CN(C)c2ccc(C)c(C)c2)c(-c2nn[n-]n2)c1C ZINC000822241100 606108087 /nfs/dbraw/zinc/10/80/87/606108087.db2.gz LACABRXYTNNFJY-UHFFFAOYSA-N -1 3 370.482 3.237 20 0 FGADHM C[C@H](c1ccccc1)[C@H](C)NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820379773 606120250 /nfs/dbraw/zinc/12/02/50/606120250.db2.gz GWFXILDQHKHMDV-RYUDHWBXSA-N -1 3 354.389 3.320 20 0 FGADHM C[C@H](c1ccccc1)[C@H](C)NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820379773 606120251 /nfs/dbraw/zinc/12/02/51/606120251.db2.gz GWFXILDQHKHMDV-RYUDHWBXSA-N -1 3 354.389 3.320 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)C/C=C\c1cccc(F)c1 ZINC000821390294 606122882 /nfs/dbraw/zinc/12/28/82/606122882.db2.gz XEPFRWABFIXBHF-XQRVVYSFSA-N -1 3 368.368 3.413 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)C/C=C\c1cccc(F)c1 ZINC000821390294 606122883 /nfs/dbraw/zinc/12/28/83/606122883.db2.gz XEPFRWABFIXBHF-XQRVVYSFSA-N -1 3 368.368 3.413 20 0 FGADHM CC[C@@H](Oc1ccccc1C)C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000820938027 606126172 /nfs/dbraw/zinc/12/61/72/606126172.db2.gz GSIGLVPFPIUNQM-MRXNPFEDSA-N -1 3 369.400 3.135 20 0 FGADHM CC[C@@H](Oc1ccccc1C)C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000820938027 606126173 /nfs/dbraw/zinc/12/61/73/606126173.db2.gz GSIGLVPFPIUNQM-MRXNPFEDSA-N -1 3 369.400 3.135 20 0 FGADHM Cc1noc(C(F)(F)F)c1C(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000822519644 606127794 /nfs/dbraw/zinc/12/77/94/606127794.db2.gz KEBHMUGVULPNSP-MRVPVSSYSA-N -1 3 367.287 3.100 20 0 FGADHM Cc1noc(C(F)(F)F)c1C(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000822519644 606127795 /nfs/dbraw/zinc/12/77/95/606127795.db2.gz KEBHMUGVULPNSP-MRVPVSSYSA-N -1 3 367.287 3.100 20 0 FGADHM CCS[C@H]1CCCC[C@@H]1NC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821456649 606130834 /nfs/dbraw/zinc/13/08/34/606130834.db2.gz RLSVCQFKVRHAHN-HOTGVXAUSA-N -1 3 374.514 3.072 20 0 FGADHM CCS[C@H]1CCCC[C@@H]1NC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821456649 606130835 /nfs/dbraw/zinc/13/08/35/606130835.db2.gz RLSVCQFKVRHAHN-HOTGVXAUSA-N -1 3 374.514 3.072 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)OCCOc1cccc2ccccc21 ZINC000823111227 606145095 /nfs/dbraw/zinc/14/50/95/606145095.db2.gz GSQUSONSAOWWEQ-UHFFFAOYSA-N -1 3 374.400 3.185 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)OCCOc1cccc2ccccc21 ZINC000823111227 606145098 /nfs/dbraw/zinc/14/50/98/606145098.db2.gz GSQUSONSAOWWEQ-UHFFFAOYSA-N -1 3 374.400 3.185 20 0 FGADHM CCS[C@H]1CCCC[C@H]1NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000821456084 606153713 /nfs/dbraw/zinc/15/37/13/606153713.db2.gz NCVXONBWYHVVQF-KGLIPLIRSA-N -1 3 364.450 3.192 20 0 FGADHM CCS[C@H]1CCCC[C@H]1NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821456084 606153715 /nfs/dbraw/zinc/15/37/15/606153715.db2.gz NCVXONBWYHVVQF-KGLIPLIRSA-N -1 3 364.450 3.192 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)C/C=C\c1ccc(F)cc1 ZINC000821389373 606174570 /nfs/dbraw/zinc/17/45/70/606174570.db2.gz KPQSKUXHNHHXHS-ARJAWSKDSA-N -1 3 368.368 3.413 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)C/C=C\c1ccc(F)cc1 ZINC000821389373 606174571 /nfs/dbraw/zinc/17/45/71/606174571.db2.gz KPQSKUXHNHHXHS-ARJAWSKDSA-N -1 3 368.368 3.413 20 0 FGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H]1CCCC1(C)C ZINC000820116319 606176444 /nfs/dbraw/zinc/17/64/44/606176444.db2.gz HDALSGXPEMFNAA-INIZCTEOSA-N -1 3 356.474 3.365 20 0 FGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H]1CCCC1(C)C ZINC000820116319 606176445 /nfs/dbraw/zinc/17/64/45/606176445.db2.gz HDALSGXPEMFNAA-INIZCTEOSA-N -1 3 356.474 3.365 20 0 FGADHM CC[C@@H]1CCCCN1C(=O)CSCc1ccc(F)cc1-c1nnn[n-]1 ZINC000820980708 606179866 /nfs/dbraw/zinc/17/98/66/606179866.db2.gz MTASFEYHJOKUBN-CQSZACIVSA-N -1 3 363.462 3.030 20 0 FGADHM CC[C@@H]1CCCCN1C(=O)CSCc1ccc(F)cc1-c1nn[n-]n1 ZINC000820980708 606179868 /nfs/dbraw/zinc/17/98/68/606179868.db2.gz MTASFEYHJOKUBN-CQSZACIVSA-N -1 3 363.462 3.030 20 0 FGADHM CC(C)(NC(=O)CCc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)c(F)c1 ZINC000819987825 606193790 /nfs/dbraw/zinc/19/37/90/606193790.db2.gz NHWNTHIQKBQWII-UHFFFAOYSA-N -1 3 371.391 3.129 20 0 FGADHM CC(C)(NC(=O)CCc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)c(F)c1 ZINC000819987825 606193791 /nfs/dbraw/zinc/19/37/91/606193791.db2.gz NHWNTHIQKBQWII-UHFFFAOYSA-N -1 3 371.391 3.129 20 0 FGADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000822650311 606211256 /nfs/dbraw/zinc/21/12/56/606211256.db2.gz UZSWBUUJRXEQBP-UHFFFAOYSA-N -1 3 356.389 3.029 20 0 FGADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000822650311 606211257 /nfs/dbraw/zinc/21/12/57/606211257.db2.gz UZSWBUUJRXEQBP-UHFFFAOYSA-N -1 3 356.389 3.029 20 0 FGADHM C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)cn1C)c1ccc(Cl)c(Cl)c1 ZINC000820384495 606211417 /nfs/dbraw/zinc/21/14/17/606211417.db2.gz GMRJUQHKORDMSJ-MRVPVSSYSA-N -1 3 365.224 3.003 20 0 FGADHM C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)cn1C)c1ccc(Cl)c(Cl)c1 ZINC000820384495 606211418 /nfs/dbraw/zinc/21/14/18/606211418.db2.gz GMRJUQHKORDMSJ-MRVPVSSYSA-N -1 3 365.224 3.003 20 0 FGADHM C[C@@H](NCc1cc(-c2nnn[n-]2)cs1)c1nc(C2CCCCC2)no1 ZINC000820427211 606223050 /nfs/dbraw/zinc/22/30/50/606223050.db2.gz QDYCCEYEGYMTMM-SNVBAGLBSA-N -1 3 359.459 3.210 20 0 FGADHM C[C@@H](NCc1cc(-c2nn[n-]n2)cs1)c1nc(C2CCCCC2)no1 ZINC000820427211 606223052 /nfs/dbraw/zinc/22/30/52/606223052.db2.gz QDYCCEYEGYMTMM-SNVBAGLBSA-N -1 3 359.459 3.210 20 0 FGADHM COc1cc(NCc2cc(-c3nnn[n-]3)cs2)ccc1Br ZINC000821723525 606225047 /nfs/dbraw/zinc/22/50/47/606225047.db2.gz CTJLYRGHXDTVIT-UHFFFAOYSA-N -1 3 366.244 3.311 20 0 FGADHM COc1cc(NCc2cc(-c3nn[n-]n3)cs2)ccc1Br ZINC000821723525 606225048 /nfs/dbraw/zinc/22/50/48/606225048.db2.gz CTJLYRGHXDTVIT-UHFFFAOYSA-N -1 3 366.244 3.311 20 0 FGADHM CN(C(=O)c1cc(-c2nnn[n-]2)cn1C)c1ccc(Oc2ccccc2)cc1 ZINC000821573461 606237565 /nfs/dbraw/zinc/23/75/65/606237565.db2.gz QURHVJHENDCDMB-UHFFFAOYSA-N -1 3 374.404 3.274 20 0 FGADHM CN(C(=O)c1cc(-c2nn[n-]n2)cn1C)c1ccc(Oc2ccccc2)cc1 ZINC000821573461 606237567 /nfs/dbraw/zinc/23/75/67/606237567.db2.gz QURHVJHENDCDMB-UHFFFAOYSA-N -1 3 374.404 3.274 20 0 FGADHM Cc1ccc(N[C@@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)c(Cl)c1 ZINC000822255085 606242069 /nfs/dbraw/zinc/24/20/69/606242069.db2.gz VHZKDJGEEBLBEW-CYBMUJFWSA-N -1 3 374.857 3.107 20 0 FGADHM Cc1ccc(N[C@@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)c(Cl)c1 ZINC000822255085 606242071 /nfs/dbraw/zinc/24/20/71/606242071.db2.gz VHZKDJGEEBLBEW-CYBMUJFWSA-N -1 3 374.857 3.107 20 0 FGADHM C[C@]1(CNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CCCC[C@@H]1O ZINC000820623278 606243290 /nfs/dbraw/zinc/24/32/90/606243290.db2.gz KQNRIVDJBVAFCC-DZGCQCFKSA-N -1 3 355.364 3.239 20 0 FGADHM C[C@]1(CNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CCCC[C@@H]1O ZINC000820623278 606243292 /nfs/dbraw/zinc/24/32/92/606243292.db2.gz KQNRIVDJBVAFCC-DZGCQCFKSA-N -1 3 355.364 3.239 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)c1cc2ccccc2c(Cl)n1 ZINC000823344626 606265438 /nfs/dbraw/zinc/26/54/38/606265438.db2.gz ZAEVYWIXQAPCFU-UHFFFAOYSA-N -1 3 368.759 3.460 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)c1cc2ccccc2c(Cl)n1 ZINC000823344626 606265440 /nfs/dbraw/zinc/26/54/40/606265440.db2.gz ZAEVYWIXQAPCFU-UHFFFAOYSA-N -1 3 368.759 3.460 20 0 FGADHM CC(C)(C)c1ncc(C=CC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)s1 ZINC000819965297 606269689 /nfs/dbraw/zinc/26/96/89/606269689.db2.gz AHXACSYGCLGCQJ-FNORWQNLSA-N -1 3 372.429 3.412 20 0 FGADHM CC(C)(C)c1ncc(C=CC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)s1 ZINC000819965297 606269691 /nfs/dbraw/zinc/26/96/91/606269691.db2.gz AHXACSYGCLGCQJ-FNORWQNLSA-N -1 3 372.429 3.412 20 0 FGADHM Cc1ccc(-c2nc(C(=O)Nc3ccc(F)cc3-c3nnn[n-]3)cs2)o1 ZINC000822214299 606272770 /nfs/dbraw/zinc/27/27/70/606272770.db2.gz YZERBVXJYXTZCY-UHFFFAOYSA-N -1 3 370.369 3.283 20 0 FGADHM Cc1ccc(-c2nc(C(=O)Nc3ccc(F)cc3-c3nn[n-]n3)cs2)o1 ZINC000822214299 606272771 /nfs/dbraw/zinc/27/27/71/606272771.db2.gz YZERBVXJYXTZCY-UHFFFAOYSA-N -1 3 370.369 3.283 20 0 FGADHM CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820938500 606272843 /nfs/dbraw/zinc/27/28/43/606272843.db2.gz KMGQLDKDQAJSDJ-FFSVYQOJSA-N -1 3 361.421 3.318 20 0 FGADHM CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820938500 606272845 /nfs/dbraw/zinc/27/28/45/606272845.db2.gz KMGQLDKDQAJSDJ-FFSVYQOJSA-N -1 3 361.421 3.318 20 0 FGADHM O=C(Nc1nc(C=Cc2ccccc2)cs1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823380499 606277561 /nfs/dbraw/zinc/27/75/61/606277561.db2.gz ZLHVIZXKLZTAGM-VOTSOKGWSA-N -1 3 363.406 3.074 20 0 FGADHM O=C(Nc1nc(C=Cc2ccccc2)cs1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823380499 606277563 /nfs/dbraw/zinc/27/75/63/606277563.db2.gz ZLHVIZXKLZTAGM-VOTSOKGWSA-N -1 3 363.406 3.074 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H](C)Oc1ccccc1 ZINC000821118556 606281287 /nfs/dbraw/zinc/28/12/87/606281287.db2.gz OYGHUYJOJMHKKW-CYBMUJFWSA-N -1 3 366.425 3.095 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1sc(CC)nc1C ZINC000821127836 606283222 /nfs/dbraw/zinc/28/32/22/606283222.db2.gz LYVJJHKTVJSXCG-UHFFFAOYSA-N -1 3 371.470 3.268 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(OC)cc1F ZINC000821122935 606283237 /nfs/dbraw/zinc/28/32/37/606283237.db2.gz CMKZQCZAJIZELV-UHFFFAOYSA-N -1 3 370.388 3.089 20 0 FGADHM CC[C@@H](N[C@@H](C(=O)OC)c1cccc(-c2nnn[n-]2)c1)C1CCCCC1 ZINC000820921359 606304191 /nfs/dbraw/zinc/30/41/91/606304191.db2.gz YNUDFLNYRDWGJY-IAGOWNOFSA-N -1 3 357.458 3.029 20 0 FGADHM CC[C@@H](N[C@@H](C(=O)OC)c1cccc(-c2nn[n-]n2)c1)C1CCCCC1 ZINC000820921359 606304193 /nfs/dbraw/zinc/30/41/93/606304193.db2.gz YNUDFLNYRDWGJY-IAGOWNOFSA-N -1 3 357.458 3.029 20 0 FGADHM CS/C=C\C(=O)Nc1ccc(Oc2ncccc2-c2nnn[n-]2)cc1C ZINC000821956616 606310172 /nfs/dbraw/zinc/31/01/72/606310172.db2.gz SXKHAGUONFFVQS-CLFYSBASSA-N -1 3 368.422 3.178 20 0 FGADHM Fc1cccc2c1CCCN2C(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000822792163 606328619 /nfs/dbraw/zinc/32/86/19/606328619.db2.gz PTPKHFFPVREKOU-UHFFFAOYSA-N -1 3 354.414 3.155 20 0 FGADHM Fc1cccc2c1CCCN2C(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000822792163 606328621 /nfs/dbraw/zinc/32/86/21/606328621.db2.gz PTPKHFFPVREKOU-UHFFFAOYSA-N -1 3 354.414 3.155 20 0 FGADHM C[C@H](OC(=O)c1ccc(Br)o1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820512128 606339479 /nfs/dbraw/zinc/33/94/79/606339479.db2.gz HNDXXDIBNAGGLX-QMMMGPOBSA-N -1 3 363.171 3.140 20 0 FGADHM C[C@H](OC(=O)c1ccc(Br)o1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820512128 606339481 /nfs/dbraw/zinc/33/94/81/606339481.db2.gz HNDXXDIBNAGGLX-QMMMGPOBSA-N -1 3 363.171 3.140 20 0 FGADHM COc1cccc([C@@H]2C[C@@H]2C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821864347 606348069 /nfs/dbraw/zinc/34/80/69/606348069.db2.gz XXUAGVHCANWKHR-UUWFMWQGSA-N -1 3 364.405 3.283 20 0 FGADHM COc1cccc([C@@H]2C[C@@H]2C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821864347 606348070 /nfs/dbraw/zinc/34/80/70/606348070.db2.gz XXUAGVHCANWKHR-UUWFMWQGSA-N -1 3 364.405 3.283 20 0 FGADHM C[C@@H](OC(=O)c1cnc2ccsc2c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820519139 606358055 /nfs/dbraw/zinc/35/80/55/606358055.db2.gz PTPZOTWOAVZWMT-SNVBAGLBSA-N -1 3 351.391 3.394 20 0 FGADHM C[C@@H](OC(=O)c1cnc2ccsc2c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820519139 606358057 /nfs/dbraw/zinc/35/80/57/606358057.db2.gz PTPZOTWOAVZWMT-SNVBAGLBSA-N -1 3 351.391 3.394 20 0 FGADHM C[C@@H](CNC(=O)Nc1ccc(F)cc1-c1nnn[n-]1)Cc1cccs1 ZINC000820270281 606358953 /nfs/dbraw/zinc/35/89/53/606358953.db2.gz ZDIDKVXNQGFRFI-SNVBAGLBSA-N -1 3 360.418 3.068 20 0 FGADHM C[C@@H](CNC(=O)Nc1ccc(F)cc1-c1nn[n-]n1)Cc1cccs1 ZINC000820270281 606358955 /nfs/dbraw/zinc/35/89/55/606358955.db2.gz ZDIDKVXNQGFRFI-SNVBAGLBSA-N -1 3 360.418 3.068 20 0 FGADHM CS[C@H](C)C(=O)Oc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821949032 606361100 /nfs/dbraw/zinc/36/11/00/606361100.db2.gz FHIXGOLMMORROH-LLVKDONJSA-N -1 3 356.407 3.316 20 0 FGADHM CS[C@H](C)C(=O)Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821949032 606361101 /nfs/dbraw/zinc/36/11/01/606361101.db2.gz FHIXGOLMMORROH-LLVKDONJSA-N -1 3 356.407 3.316 20 0 FGADHM O=C(Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000823350549 606379761 /nfs/dbraw/zinc/37/97/61/606379761.db2.gz QZRZMLLGSAEGFM-QLPKVWCKSA-N -1 3 362.393 3.039 20 0 FGADHM CCS[C@@H]1CCC[C@H](NC(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000821456556 606384738 /nfs/dbraw/zinc/38/47/38/606384738.db2.gz PYFYTRFPQYAEAM-JKSUJKDBSA-N -1 3 374.514 3.072 20 0 FGADHM CCS[C@@H]1CCC[C@H](NC(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000821456556 606384739 /nfs/dbraw/zinc/38/47/39/606384739.db2.gz PYFYTRFPQYAEAM-JKSUJKDBSA-N -1 3 374.514 3.072 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NCc1ccc(Br)cc1 ZINC000821766575 606404758 /nfs/dbraw/zinc/40/47/58/606404758.db2.gz YVBAUONGXLGDAA-UHFFFAOYSA-N -1 3 360.215 3.250 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NCc1ccc(Br)cc1 ZINC000821766575 606404759 /nfs/dbraw/zinc/40/47/59/606404759.db2.gz YVBAUONGXLGDAA-UHFFFAOYSA-N -1 3 360.215 3.250 20 0 FGADHM C[C@@H](OC(=O)c1occc1Br)c1cccc(-c2nnn[n-]2)c1 ZINC000820518782 606408493 /nfs/dbraw/zinc/40/84/93/606408493.db2.gz KTKVQWDBJKUOBP-MRVPVSSYSA-N -1 3 363.171 3.140 20 0 FGADHM C[C@@H](OC(=O)c1occc1Br)c1cccc(-c2nn[n-]n2)c1 ZINC000820518782 606408494 /nfs/dbraw/zinc/40/84/94/606408494.db2.gz KTKVQWDBJKUOBP-MRVPVSSYSA-N -1 3 363.171 3.140 20 0 FGADHM Cc1cccc(O[C@@H](C)C(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)c1 ZINC000822326788 606413436 /nfs/dbraw/zinc/41/34/36/606413436.db2.gz ANCYMJYKFLQAMR-LBPRGKRZSA-N -1 3 371.828 3.259 20 0 FGADHM Cc1cccc(O[C@@H](C)C(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)c1 ZINC000822326788 606413438 /nfs/dbraw/zinc/41/34/38/606413438.db2.gz ANCYMJYKFLQAMR-LBPRGKRZSA-N -1 3 371.828 3.259 20 0 FGADHM CO[C@H](C)c1nc(CNc2cc(-c3nnn[n-]3)ccc2OC(C)C)cs1 ZINC000821675799 606430673 /nfs/dbraw/zinc/43/06/73/606430673.db2.gz UDYHMEGQDKDIOE-LLVKDONJSA-N -1 3 374.470 3.430 20 0 FGADHM CO[C@H](C)c1nc(CNc2cc(-c3nn[n-]n3)ccc2OC(C)C)cs1 ZINC000821675799 606430675 /nfs/dbraw/zinc/43/06/75/606430675.db2.gz UDYHMEGQDKDIOE-LLVKDONJSA-N -1 3 374.470 3.430 20 0 FGADHM O=C(OCC[C@@H]1CCCO1)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000823401399 606437999 /nfs/dbraw/zinc/43/79/99/606437999.db2.gz VGTYVVFMWQWVPI-AWEZNQCLSA-N -1 3 364.405 3.260 20 0 FGADHM O=C(OCC[C@@H]1CCCO1)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000823401399 606438000 /nfs/dbraw/zinc/43/80/00/606438000.db2.gz VGTYVVFMWQWVPI-AWEZNQCLSA-N -1 3 364.405 3.260 20 0 FGADHM C[C@@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1c(F)cccc1Cl ZINC000820365192 606440112 /nfs/dbraw/zinc/44/01/12/606440112.db2.gz IEANWQSAEYAHPU-SNVBAGLBSA-N -1 3 374.807 3.220 20 0 FGADHM C[C@@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1c(F)cccc1Cl ZINC000820365192 606440114 /nfs/dbraw/zinc/44/01/14/606440114.db2.gz IEANWQSAEYAHPU-SNVBAGLBSA-N -1 3 374.807 3.220 20 0 FGADHM Cc1cc([C@H](C)NC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)ccc1F ZINC000822191953 606442628 /nfs/dbraw/zinc/44/26/28/606442628.db2.gz VHFUWMUHXUHDLI-NSHDSACASA-N -1 3 372.379 3.014 20 0 FGADHM Cc1cc([C@H](C)NC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)ccc1F ZINC000822191953 606442629 /nfs/dbraw/zinc/44/26/29/606442629.db2.gz VHFUWMUHXUHDLI-NSHDSACASA-N -1 3 372.379 3.014 20 0 FGADHM C[C@H](Nc1cc(Cl)ccc1-c1nnn[n-]1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000820457316 606455000 /nfs/dbraw/zinc/45/50/00/606455000.db2.gz ZOIZRMAZKKRWQR-QMMMGPOBSA-N -1 3 355.789 3.275 20 0 FGADHM C[C@H](Nc1cc(Cl)ccc1-c1nn[n-]n1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000820457316 606455001 /nfs/dbraw/zinc/45/50/01/606455001.db2.gz ZOIZRMAZKKRWQR-QMMMGPOBSA-N -1 3 355.789 3.275 20 0 FGADHM Clc1cc(NCc2cccc(-c3nnn[n-]3)c2)ccc1-n1cccn1 ZINC000822567955 606455802 /nfs/dbraw/zinc/45/58/02/606455802.db2.gz JKFDJTPXHDWOBA-UHFFFAOYSA-N -1 3 351.801 3.318 20 0 FGADHM Clc1cc(NCc2cccc(-c3nn[n-]n3)c2)ccc1-n1cccn1 ZINC000822567955 606455804 /nfs/dbraw/zinc/45/58/04/606455804.db2.gz JKFDJTPXHDWOBA-UHFFFAOYSA-N -1 3 351.801 3.318 20 0 FGADHM Cc1ccccc1[C@H]1CN(c2ncc(-c3nnn[n-]3)cc2Cl)[C@H](C)CO1 ZINC000822350792 606476095 /nfs/dbraw/zinc/47/60/95/606476095.db2.gz HDUVKBOPWLAVGK-MLGOLLRUSA-N -1 3 370.844 3.190 20 0 FGADHM Cc1ccccc1[C@H]1CN(c2ncc(-c3nn[n-]n3)cc2Cl)[C@H](C)CO1 ZINC000822350792 606476097 /nfs/dbraw/zinc/47/60/97/606476097.db2.gz HDUVKBOPWLAVGK-MLGOLLRUSA-N -1 3 370.844 3.190 20 0 FGADHM O=C(Nc1nc(-c2cccs2)cs1)c1cc(-c2nnn[n-]2)cs1 ZINC000823375689 606479076 /nfs/dbraw/zinc/47/90/76/606479076.db2.gz FRJWGRQOBZOHIW-UHFFFAOYSA-N -1 3 360.449 3.366 20 0 FGADHM O=C(Nc1nc(-c2cccs2)cs1)c1cc(-c2nn[n-]n2)cs1 ZINC000823375689 606479078 /nfs/dbraw/zinc/47/90/78/606479078.db2.gz FRJWGRQOBZOHIW-UHFFFAOYSA-N -1 3 360.449 3.366 20 0 FGADHM Cc1cccc(-c2c[nH]c([C@H]3CCCN3c3ncccc3-c3nnn[n-]3)n2)c1 ZINC000822284063 606480981 /nfs/dbraw/zinc/48/09/81/606480981.db2.gz IEDAUIMPNUVUKT-QGZVFWFLSA-N -1 3 372.436 3.302 20 0 FGADHM Cc1cccc(-c2c[nH]c([C@H]3CCCN3c3ncccc3-c3nn[n-]n3)n2)c1 ZINC000822284063 606480983 /nfs/dbraw/zinc/48/09/83/606480983.db2.gz IEDAUIMPNUVUKT-QGZVFWFLSA-N -1 3 372.436 3.302 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N1CC(Cc2ccccc2Cl)C1 ZINC000823308553 606486259 /nfs/dbraw/zinc/48/62/59/606486259.db2.gz DZSKPVJQIYNFGA-UHFFFAOYSA-N -1 3 368.828 3.227 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N1CC(Cc2ccccc2Cl)C1 ZINC000823308553 606486261 /nfs/dbraw/zinc/48/62/61/606486261.db2.gz DZSKPVJQIYNFGA-UHFFFAOYSA-N -1 3 368.828 3.227 20 0 FGADHM Cc1cc(C)c(C(=O)Nc2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)o1 ZINC000822194048 606489140 /nfs/dbraw/zinc/48/91/40/606489140.db2.gz GVKXVJPKXMTKMB-UHFFFAOYSA-N -1 3 366.406 3.452 20 0 FGADHM Cc1cc(C)c(C(=O)Nc2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)o1 ZINC000822194048 606489141 /nfs/dbraw/zinc/48/91/41/606489141.db2.gz GVKXVJPKXMTKMB-UHFFFAOYSA-N -1 3 366.406 3.452 20 0 FGADHM CC(C)Cc1ccc([C@H](C)NC(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000820107873 606490912 /nfs/dbraw/zinc/49/09/12/606490912.db2.gz CYSYYZWWVGFJGU-HNNXBMFYSA-N -1 3 363.465 3.485 20 0 FGADHM CC(C)Cc1ccc([C@H](C)NC(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000820107873 606490915 /nfs/dbraw/zinc/49/09/15/606490915.db2.gz CYSYYZWWVGFJGU-HNNXBMFYSA-N -1 3 363.465 3.485 20 0 FGADHM Cc1c2ccccc2oc1[C@@H](C)NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000822021110 606495329 /nfs/dbraw/zinc/49/53/29/606495329.db2.gz WEJGGNGYUGLVLY-SNVBAGLBSA-N -1 3 353.407 3.474 20 0 FGADHM Cc1c2ccccc2oc1[C@@H](C)NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000822021110 606495331 /nfs/dbraw/zinc/49/53/31/606495331.db2.gz WEJGGNGYUGLVLY-SNVBAGLBSA-N -1 3 353.407 3.474 20 0 FGADHM CC[C@@H]1CCc2nc(NC(=O)c3cc(-c4nnn[n-]4)cs3)sc2C1 ZINC000820989589 606495713 /nfs/dbraw/zinc/49/57/13/606495713.db2.gz WTPIWKMVWXIGJF-MRVPVSSYSA-N -1 3 360.468 3.152 20 0 FGADHM CC[C@@H]1CCc2nc(NC(=O)c3cc(-c4nn[n-]n4)cs3)sc2C1 ZINC000820989589 606495714 /nfs/dbraw/zinc/49/57/14/606495714.db2.gz WTPIWKMVWXIGJF-MRVPVSSYSA-N -1 3 360.468 3.152 20 0 FGADHM Cc1ncc(-c2ccc(NC(=O)Cc3cccc(-c4nnn[n-]4)c3)cc2)o1 ZINC000822467562 606502297 /nfs/dbraw/zinc/50/22/97/606502297.db2.gz OXNKKCRWTQWGFI-UHFFFAOYSA-N -1 3 360.377 3.011 20 0 FGADHM Cc1ncc(-c2ccc(NC(=O)Cc3cccc(-c4nn[n-]n4)c3)cc2)o1 ZINC000822467562 606502299 /nfs/dbraw/zinc/50/22/99/606502299.db2.gz OXNKKCRWTQWGFI-UHFFFAOYSA-N -1 3 360.377 3.011 20 0 FGADHM CC(=Cc1ccc(F)cc1)C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000819765377 606523165 /nfs/dbraw/zinc/52/31/65/606523165.db2.gz PDNSWJCZPPHQEL-HHQWOOOKSA-N -1 3 351.385 3.287 20 0 FGADHM CC(=Cc1ccc(F)cc1)C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000819765377 606523167 /nfs/dbraw/zinc/52/31/67/606523167.db2.gz PDNSWJCZPPHQEL-HHQWOOOKSA-N -1 3 351.385 3.287 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCC1(CC)CCC1 ZINC000821104766 606534161 /nfs/dbraw/zinc/53/41/61/606534161.db2.gz POXRZIYIQVGFSX-UHFFFAOYSA-N -1 3 356.474 3.369 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCC1(CC)CCC1 ZINC000821104766 606534162 /nfs/dbraw/zinc/53/41/62/606534162.db2.gz POXRZIYIQVGFSX-UHFFFAOYSA-N -1 3 356.474 3.369 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N(Cc1ccccc1)CC1CCC1 ZINC000823087119 606534873 /nfs/dbraw/zinc/53/48/73/606534873.db2.gz HEVNGKRVZYZWBN-UHFFFAOYSA-N -1 3 361.449 3.238 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N(Cc1ccccc1)CC1CCC1 ZINC000823087119 606534875 /nfs/dbraw/zinc/53/48/75/606534875.db2.gz HEVNGKRVZYZWBN-UHFFFAOYSA-N -1 3 361.449 3.238 20 0 FGADHM CCCn1ccc2cc(NC(=O)Cc3cccc(-c4nnn[n-]4)c3)ccc21 ZINC000821148385 606540519 /nfs/dbraw/zinc/54/05/19/606540519.db2.gz OGRNFPKSNJXICR-UHFFFAOYSA-N -1 3 360.421 3.413 20 0 FGADHM CCCn1ccc2cc(NC(=O)Cc3cccc(-c4nn[n-]n4)c3)ccc21 ZINC000821148385 606540522 /nfs/dbraw/zinc/54/05/22/606540522.db2.gz OGRNFPKSNJXICR-UHFFFAOYSA-N -1 3 360.421 3.413 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(C)=Cc1ccc(F)cc1 ZINC000821755556 606541452 /nfs/dbraw/zinc/54/14/52/606541452.db2.gz HJRVJPPYJZQCJM-PKNBQFBNSA-N -1 3 353.357 3.056 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(C)=Cc1ccc(F)cc1 ZINC000821755556 606541453 /nfs/dbraw/zinc/54/14/53/606541453.db2.gz HJRVJPPYJZQCJM-PKNBQFBNSA-N -1 3 353.357 3.056 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N1CCCC[C@@H]1Cc1ccccc1 ZINC000823087479 606543360 /nfs/dbraw/zinc/54/33/60/606543360.db2.gz QUIZMMCBJZOLBS-LJQANCHMSA-N -1 3 361.449 3.033 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N1CCCC[C@@H]1Cc1ccccc1 ZINC000823087479 606543361 /nfs/dbraw/zinc/54/33/61/606543361.db2.gz QUIZMMCBJZOLBS-LJQANCHMSA-N -1 3 361.449 3.033 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N1CCC[C@H](c2ccccc2)CC1 ZINC000823087166 606547594 /nfs/dbraw/zinc/54/75/94/606547594.db2.gz IQRCJNBJEZYVSQ-SFHVURJKSA-N -1 3 361.449 3.206 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N1CCC[C@H](c2ccccc2)CC1 ZINC000823087166 606547595 /nfs/dbraw/zinc/54/75/95/606547595.db2.gz IQRCJNBJEZYVSQ-SFHVURJKSA-N -1 3 361.449 3.206 20 0 FGADHM CCSc1ccc([C@H](C)NC(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821461471 606550651 /nfs/dbraw/zinc/55/06/51/606550651.db2.gz PDDCXNVMADWCBG-ZDUSSCGKSA-N -1 3 367.478 3.399 20 0 FGADHM CCSc1ccc([C@H](C)NC(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821461471 606550653 /nfs/dbraw/zinc/55/06/53/606550653.db2.gz PDDCXNVMADWCBG-ZDUSSCGKSA-N -1 3 367.478 3.399 20 0 FGADHM O=C(NC[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1cc(-c2nnn[n-]2)cs1 ZINC000823176380 606553415 /nfs/dbraw/zinc/55/34/15/606553415.db2.gz SJYSOTSNTVCGEX-PSASIEDQSA-N -1 3 359.377 3.027 20 0 FGADHM O=C(NC[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1cc(-c2nn[n-]n2)cs1 ZINC000823176380 606553416 /nfs/dbraw/zinc/55/34/16/606553416.db2.gz SJYSOTSNTVCGEX-PSASIEDQSA-N -1 3 359.377 3.027 20 0 FGADHM O=C(NC[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1sccc1-c1nnn[n-]1 ZINC000823175875 606554509 /nfs/dbraw/zinc/55/45/09/606554509.db2.gz NVVXPZWGAJPDIN-RKDXNWHRSA-N -1 3 359.377 3.027 20 0 FGADHM O=C(NC[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1sccc1-c1nn[n-]n1 ZINC000823175875 606554510 /nfs/dbraw/zinc/55/45/10/606554510.db2.gz NVVXPZWGAJPDIN-RKDXNWHRSA-N -1 3 359.377 3.027 20 0 FGADHM Cc1cccc(C)c1OCCCOC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000822299782 606564100 /nfs/dbraw/zinc/56/41/00/606564100.db2.gz UYPBJEPBDFNHKD-UHFFFAOYSA-N -1 3 358.423 3.171 20 0 FGADHM Cc1cccc(C)c1OCCCOC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000822299782 606564101 /nfs/dbraw/zinc/56/41/01/606564101.db2.gz UYPBJEPBDFNHKD-UHFFFAOYSA-N -1 3 358.423 3.171 20 0 FGADHM CCc1ccc([C@H]2CCCCN2C(=O)Cc2cccc(-c3nnn[n-]3)c2)o1 ZINC000821480686 606571170 /nfs/dbraw/zinc/57/11/70/606571170.db2.gz CWSQSLHMUTYTTE-QGZVFWFLSA-N -1 3 365.437 3.318 20 0 FGADHM CCc1ccc([C@H]2CCCCN2C(=O)Cc2cccc(-c3nn[n-]n3)c2)o1 ZINC000821480686 606571172 /nfs/dbraw/zinc/57/11/72/606571172.db2.gz CWSQSLHMUTYTTE-QGZVFWFLSA-N -1 3 365.437 3.318 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)NC1CC(c2cccc(Cl)c2)C1 ZINC000823093090 606575351 /nfs/dbraw/zinc/57/53/51/606575351.db2.gz UNOYRQXRYTYWOW-UHFFFAOYSA-N -1 3 367.840 3.125 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)NC1CC(c2cccc(Cl)c2)C1 ZINC000823093090 606575353 /nfs/dbraw/zinc/57/53/53/606575353.db2.gz UNOYRQXRYTYWOW-UHFFFAOYSA-N -1 3 367.840 3.125 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H](C)c1ccc(F)cc1F ZINC000821766084 606576335 /nfs/dbraw/zinc/57/63/35/606576335.db2.gz QWGHGNBWWJOSMI-VIFPVBQESA-N -1 3 374.351 3.036 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@H](C)c1ccc(F)cc1F ZINC000821766084 606576337 /nfs/dbraw/zinc/57/63/37/606576337.db2.gz QWGHGNBWWJOSMI-VIFPVBQESA-N -1 3 374.351 3.036 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)N(CCC(F)(F)F)CC1CC1 ZINC000823344330 606580531 /nfs/dbraw/zinc/58/05/31/606580531.db2.gz VNNUBFJQPMRSOT-UHFFFAOYSA-N -1 3 372.326 3.202 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)N(CCC(F)(F)F)CC1CC1 ZINC000823344330 606580533 /nfs/dbraw/zinc/58/05/33/606580533.db2.gz VNNUBFJQPMRSOT-UHFFFAOYSA-N -1 3 372.326 3.202 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)C/C=C\c1ccc(C)cc1 ZINC000821699697 606618100 /nfs/dbraw/zinc/61/81/00/606618100.db2.gz ZZQZLOZKJDYKLY-ARJAWSKDSA-N -1 3 350.378 3.193 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)C/C=C\c1ccc(C)cc1 ZINC000821699697 606618102 /nfs/dbraw/zinc/61/81/02/606618102.db2.gz ZZQZLOZKJDYKLY-ARJAWSKDSA-N -1 3 350.378 3.193 20 0 FGADHM O=C(c1cccc(-c2nnn[n-]2)c1)N(CC(F)F)c1cccc(Cl)c1 ZINC000823488141 606624194 /nfs/dbraw/zinc/62/41/94/606624194.db2.gz JUSULFAKTXLNDV-UHFFFAOYSA-N -1 3 363.755 3.432 20 0 FGADHM O=C(c1cccc(-c2nn[n-]n2)c1)N(CC(F)F)c1cccc(Cl)c1 ZINC000823488141 606624196 /nfs/dbraw/zinc/62/41/96/606624196.db2.gz JUSULFAKTXLNDV-UHFFFAOYSA-N -1 3 363.755 3.432 20 0 FGADHM Fc1ccc(CN2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)c(F)c1 ZINC000822766870 606632053 /nfs/dbraw/zinc/63/20/53/606632053.db2.gz PGJAZNLRKSPIRR-UHFFFAOYSA-N -1 3 371.391 3.188 20 0 FGADHM O[C@@H]1CCCC[C@H]1Oc1ccc(NCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000823705110 606657751 /nfs/dbraw/zinc/65/77/51/606657751.db2.gz FOEKWZWEWYTBMT-RTBURBONSA-N -1 3 365.437 3.161 20 0 FGADHM O[C@@H]1CCCC[C@H]1Oc1ccc(NCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000823705110 606657752 /nfs/dbraw/zinc/65/77/52/606657752.db2.gz FOEKWZWEWYTBMT-RTBURBONSA-N -1 3 365.437 3.161 20 0 FGADHM CCOc1ccccc1[C@@H](C)NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821430635 606667731 /nfs/dbraw/zinc/66/77/31/606667731.db2.gz AUJSVFONCRQNBT-SNVBAGLBSA-N -1 3 373.363 3.035 20 0 FGADHM CCOc1ccccc1[C@@H](C)NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821430635 606667732 /nfs/dbraw/zinc/66/77/32/606667732.db2.gz AUJSVFONCRQNBT-SNVBAGLBSA-N -1 3 373.363 3.035 20 0 FGADHM Cc1nc(CC(C)C)c(C(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)s1 ZINC000822437141 606668259 /nfs/dbraw/zinc/66/82/59/606668259.db2.gz WWNRJVXGMZTSAW-UHFFFAOYSA-N -1 3 370.482 3.102 20 0 FGADHM Cc1nc(CC(C)C)c(C(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)s1 ZINC000822437141 606668260 /nfs/dbraw/zinc/66/82/60/606668260.db2.gz WWNRJVXGMZTSAW-UHFFFAOYSA-N -1 3 370.482 3.102 20 0 FGADHM CCN(C(=O)Cc1ccc(F)c(F)c1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821154410 606670381 /nfs/dbraw/zinc/67/03/81/606670381.db2.gz NHLNODDMHCUYES-LBPRGKRZSA-N -1 3 371.391 3.297 20 0 FGADHM CCN(C(=O)Cc1ccc(F)c(F)c1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821154410 606670382 /nfs/dbraw/zinc/67/03/82/606670382.db2.gz NHLNODDMHCUYES-LBPRGKRZSA-N -1 3 371.391 3.297 20 0 FGADHM COC[C@H](C)CC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821681974 606678395 /nfs/dbraw/zinc/67/83/95/606678395.db2.gz XFRANIFGXJFWBQ-CYBMUJFWSA-N -1 3 367.409 3.270 20 0 FGADHM COC[C@H](C)CC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821681974 606678396 /nfs/dbraw/zinc/67/83/96/606678396.db2.gz XFRANIFGXJFWBQ-CYBMUJFWSA-N -1 3 367.409 3.270 20 0 FGADHM C[C@H]1c2ccc(F)cc2CCN1C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820827015 606681725 /nfs/dbraw/zinc/68/17/25/606681725.db2.gz PXMYKYYHHMLFFD-VIFPVBQESA-N -1 3 373.338 3.044 20 0 FGADHM C[C@H]1c2ccc(F)cc2CCN1C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820827015 606681726 /nfs/dbraw/zinc/68/17/26/606681726.db2.gz PXMYKYYHHMLFFD-VIFPVBQESA-N -1 3 373.338 3.044 20 0 FGADHM COC[C@@H](C)CC(=O)Oc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821681691 606685142 /nfs/dbraw/zinc/68/51/42/606685142.db2.gz PSVBWYQOHJTQND-ZDUSSCGKSA-N -1 3 368.393 3.237 20 0 FGADHM COC[C@@H](C)CC(=O)Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821681691 606685143 /nfs/dbraw/zinc/68/51/43/606685143.db2.gz PSVBWYQOHJTQND-ZDUSSCGKSA-N -1 3 368.393 3.237 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N1CC[C@@H](c2ccc(F)cc2)C1 ZINC000822928961 606690431 /nfs/dbraw/zinc/69/04/31/606690431.db2.gz OLECFNNBQHEPJM-BSDKJSHOSA-N -1 3 363.396 3.035 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N1CC[C@@H](c2ccc(F)cc2)C1 ZINC000822928961 606690432 /nfs/dbraw/zinc/69/04/32/606690432.db2.gz OLECFNNBQHEPJM-BSDKJSHOSA-N -1 3 363.396 3.035 20 0 FGADHM C[C@H]1CN(C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c2ccccc2S1 ZINC000820742981 606692387 /nfs/dbraw/zinc/69/23/87/606692387.db2.gz OULTWIJMAAQIIA-VIFPVBQESA-N -1 3 373.388 3.286 20 0 FGADHM C[C@H]1CN(C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c2ccccc2S1 ZINC000820742981 606692388 /nfs/dbraw/zinc/69/23/88/606692388.db2.gz OULTWIJMAAQIIA-VIFPVBQESA-N -1 3 373.388 3.286 20 0 FGADHM C[C@@H]1CN(C(=O)CCc2ccc(-c3nnn[n-]3)cc2)c2ccccc2S1 ZINC000820735427 606692475 /nfs/dbraw/zinc/69/24/75/606692475.db2.gz SCJOEYJXROOCAY-CYBMUJFWSA-N -1 3 365.462 3.327 20 0 FGADHM C[C@@H]1CN(C(=O)CCc2ccc(-c3nn[n-]n3)cc2)c2ccccc2S1 ZINC000820735427 606692476 /nfs/dbraw/zinc/69/24/76/606692476.db2.gz SCJOEYJXROOCAY-CYBMUJFWSA-N -1 3 365.462 3.327 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)Cc1c(F)cccc1F ZINC000821122928 606697297 /nfs/dbraw/zinc/69/72/97/606697297.db2.gz CIRINTJDRDLVCX-UHFFFAOYSA-N -1 3 372.379 3.148 20 0 FGADHM FC(F)(F)c1ccc(N[C@@H]2CCC[C@@H]3OCC[C@@H]32)c(-c2nnn[n-]2)c1 ZINC000822723613 606727685 /nfs/dbraw/zinc/72/76/85/606727685.db2.gz HUFKTTWGHROWRL-QKCSRTOESA-N -1 3 353.348 3.255 20 0 FGADHM FC(F)(F)c1ccc(N[C@@H]2CCC[C@@H]3OCC[C@@H]32)c(-c2nn[n-]n2)c1 ZINC000822723613 606727686 /nfs/dbraw/zinc/72/76/86/606727686.db2.gz HUFKTTWGHROWRL-QKCSRTOESA-N -1 3 353.348 3.255 20 0 FGADHM O=C(CCCc1ccc(F)c(F)c1)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000822959119 606749993 /nfs/dbraw/zinc/74/99/93/606749993.db2.gz SLLUCFIAFNLSBP-UHFFFAOYSA-N -1 3 358.348 3.211 20 0 FGADHM O=C(CCCc1ccc(F)c(F)c1)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000822959119 606749995 /nfs/dbraw/zinc/74/99/95/606749995.db2.gz SLLUCFIAFNLSBP-UHFFFAOYSA-N -1 3 358.348 3.211 20 0 FGADHM FC(F)COc1ccccc1NCCOc1cccc(-c2nnn[n-]2)c1 ZINC000822733284 606777669 /nfs/dbraw/zinc/77/76/69/606777669.db2.gz WWKSESSHYLLZSY-UHFFFAOYSA-N -1 3 361.352 3.002 20 0 FGADHM FC(F)COc1ccccc1NCCOc1cccc(-c2nn[n-]n2)c1 ZINC000822733284 606777671 /nfs/dbraw/zinc/77/76/71/606777671.db2.gz WWKSESSHYLLZSY-UHFFFAOYSA-N -1 3 361.352 3.002 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)NC[C@@H]2C[C@H]2C)cc1 ZINC000822144768 606786029 /nfs/dbraw/zinc/78/60/29/606786029.db2.gz NPBSBTAYBIQGSK-WBMJQRKESA-N -1 3 363.421 3.353 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)NC[C@@H]2C[C@H]2C)cc1 ZINC000822144768 606786033 /nfs/dbraw/zinc/78/60/33/606786033.db2.gz NPBSBTAYBIQGSK-WBMJQRKESA-N -1 3 363.421 3.353 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H]1CCC[C@@H]1CC ZINC000821104390 606811615 /nfs/dbraw/zinc/81/16/15/606811615.db2.gz BHGHBLXVMAQJMP-DOTOQJQBSA-N -1 3 356.474 3.367 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1CCC[C@@H]1CC ZINC000821104390 606811617 /nfs/dbraw/zinc/81/16/17/606811617.db2.gz BHGHBLXVMAQJMP-DOTOQJQBSA-N -1 3 356.474 3.367 20 0 FGADHM CCOc1cc(C)ccc1CNC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000821393813 606834696 /nfs/dbraw/zinc/83/46/96/606834696.db2.gz BQCMARKDZBFTFX-UHFFFAOYSA-N -1 3 370.388 3.035 20 0 FGADHM CCOc1cc(C)ccc1CNC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821393813 606834698 /nfs/dbraw/zinc/83/46/98/606834698.db2.gz BQCMARKDZBFTFX-UHFFFAOYSA-N -1 3 370.388 3.035 20 0 FGADHM c1ccc2[nH]c(CSCCCOc3cccc(-c4nnn[n-]4)c3)nc2c1 ZINC000823762003 606841595 /nfs/dbraw/zinc/84/15/95/606841595.db2.gz DMRBWTOGNCZRSG-UHFFFAOYSA-N -1 3 366.450 3.445 20 0 FGADHM c1ccc2[nH]c(CSCCCOc3cccc(-c4nn[n-]n4)c3)nc2c1 ZINC000823762003 606841597 /nfs/dbraw/zinc/84/15/97/606841597.db2.gz DMRBWTOGNCZRSG-UHFFFAOYSA-N -1 3 366.450 3.445 20 0 FGADHM CCCCc1nc2ccccc2n1C[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821081896 606844422 /nfs/dbraw/zinc/84/44/22/606844422.db2.gz DLIMHCJZUKTKPU-SFHVURJKSA-N -1 3 362.437 3.293 20 0 FGADHM CCCCc1nc2ccccc2n1C[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821081896 606844423 /nfs/dbraw/zinc/84/44/23/606844423.db2.gz DLIMHCJZUKTKPU-SFHVURJKSA-N -1 3 362.437 3.293 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)Nc2cccnn2)cc1 ZINC000822143320 606850301 /nfs/dbraw/zinc/85/03/01/606850301.db2.gz BGJGUJWEKTWEFQ-UHFFFAOYSA-N -1 3 373.376 3.010 20 0 FGADHM C[C@@H](Sc1ccc(-c2nnn[n-]2)cc1Cl)C(=O)NCc1ccccc1 ZINC000820550188 606850746 /nfs/dbraw/zinc/85/07/46/606850746.db2.gz VMLKSWRPOUPUKN-LLVKDONJSA-N -1 3 373.869 3.317 20 0 FGADHM C[C@@H](Sc1ccc(-c2nn[n-]n2)cc1Cl)C(=O)NCc1ccccc1 ZINC000820550188 606850748 /nfs/dbraw/zinc/85/07/48/606850748.db2.gz VMLKSWRPOUPUKN-LLVKDONJSA-N -1 3 373.869 3.317 20 0 FGADHM C[C@H](Sc1ccc(-c2nnn[n-]2)cc1Cl)C(=O)NC1CCCCC1 ZINC000820549079 606853066 /nfs/dbraw/zinc/85/30/66/606853066.db2.gz JVEDFKDNEKVOGX-JTQLQIEISA-N -1 3 365.890 3.450 20 0 FGADHM C[C@H](Sc1ccc(-c2nn[n-]n2)cc1Cl)C(=O)NC1CCCCC1 ZINC000820549079 606853067 /nfs/dbraw/zinc/85/30/67/606853067.db2.gz JVEDFKDNEKVOGX-JTQLQIEISA-N -1 3 365.890 3.450 20 0 FGADHM CC(C)(C)c1ccc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)s1 ZINC000819959106 606874560 /nfs/dbraw/zinc/87/45/60/606874560.db2.gz YPEHYUXQXNFIBT-UHFFFAOYSA-N -1 3 359.430 3.295 20 0 FGADHM CC(C)(C)c1ccc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)s1 ZINC000819959106 606874562 /nfs/dbraw/zinc/87/45/62/606874562.db2.gz YPEHYUXQXNFIBT-UHFFFAOYSA-N -1 3 359.430 3.295 20 0 FGADHM O=C(Nc1cc(F)ccc1Br)c1sccc1-c1nnn[n-]1 ZINC000823299170 606874963 /nfs/dbraw/zinc/87/49/63/606874963.db2.gz LBHWDZQWRPRSTA-UHFFFAOYSA-N -1 3 368.191 3.082 20 0 FGADHM O=C(Nc1cc(F)ccc1Br)c1sccc1-c1nn[n-]n1 ZINC000823299170 606874964 /nfs/dbraw/zinc/87/49/64/606874964.db2.gz LBHWDZQWRPRSTA-UHFFFAOYSA-N -1 3 368.191 3.082 20 0 FGADHM COc1cccc(N(CC(C)C)C[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821873728 606923420 /nfs/dbraw/zinc/92/34/20/606923420.db2.gz XFURNQLGBJXKKP-LJQANCHMSA-N -1 3 367.453 3.071 20 0 FGADHM COc1cccc(N(CC(C)C)C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821873728 606923421 /nfs/dbraw/zinc/92/34/21/606923421.db2.gz XFURNQLGBJXKKP-LJQANCHMSA-N -1 3 367.453 3.071 20 0 FGADHM C[C@@H]1[C@H](C)Sc2ccccc2N1C[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820819768 606929602 /nfs/dbraw/zinc/92/96/02/606929602.db2.gz KNUIBILTPWQWIL-IIYDPXPESA-N -1 3 367.478 3.289 20 0 FGADHM C[C@@H]1[C@H](C)Sc2ccccc2N1C[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820819768 606929604 /nfs/dbraw/zinc/92/96/04/606929604.db2.gz KNUIBILTPWQWIL-IIYDPXPESA-N -1 3 367.478 3.289 20 0 FGADHM Fc1ccc(CNc2ccc(-n3cccn3)c(Cl)c2)cc1-c1nnn[n-]1 ZINC000822771429 606929810 /nfs/dbraw/zinc/92/98/10/606929810.db2.gz HJUBWOLIOSACLV-UHFFFAOYSA-N -1 3 369.791 3.457 20 0 FGADHM Fc1ccc(CNc2ccc(-n3cccn3)c(Cl)c2)cc1-c1nn[n-]n1 ZINC000822771429 606929811 /nfs/dbraw/zinc/92/98/11/606929811.db2.gz HJUBWOLIOSACLV-UHFFFAOYSA-N -1 3 369.791 3.457 20 0 FGADHM FC(F)(F)c1ccc(NCc2ccc3c(c2)CCO3)c(-c2nnn[n-]2)c1 ZINC000822728767 606929822 /nfs/dbraw/zinc/92/98/22/606929822.db2.gz MENZUZFEBVHUMU-UHFFFAOYSA-N -1 3 361.327 3.433 20 0 FGADHM FC(F)(F)c1ccc(NCc2ccc3c(c2)CCO3)c(-c2nn[n-]n2)c1 ZINC000822728767 606929823 /nfs/dbraw/zinc/92/98/23/606929823.db2.gz MENZUZFEBVHUMU-UHFFFAOYSA-N -1 3 361.327 3.433 20 0 FGADHM CCOC[C@H]1CCCN(c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)C1 ZINC000821367378 606935347 /nfs/dbraw/zinc/93/53/47/606935347.db2.gz HWJZSNPKRLKYPR-NSHDSACASA-N -1 3 355.364 3.138 20 0 FGADHM CCOC[C@H]1CCCN(c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)C1 ZINC000821367378 606935348 /nfs/dbraw/zinc/93/53/48/606935348.db2.gz HWJZSNPKRLKYPR-NSHDSACASA-N -1 3 355.364 3.138 20 0 FGADHM CCc1cc(Br)ccc1NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821471240 606936826 /nfs/dbraw/zinc/93/68/26/606936826.db2.gz XJUGVLXYTJHJMT-UHFFFAOYSA-N -1 3 372.226 3.444 20 0 FGADHM CCc1cc(Br)ccc1NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821471240 606936827 /nfs/dbraw/zinc/93/68/27/606936827.db2.gz XJUGVLXYTJHJMT-UHFFFAOYSA-N -1 3 372.226 3.444 20 0 FGADHM CCc1nc2c(s1)[C@@H](N(C)C(=O)c1cccc(-c3nnn[n-]3)c1)CCC2 ZINC000821510037 606937930 /nfs/dbraw/zinc/93/79/30/606937930.db2.gz TWKKNLDKWIRXMR-AWEZNQCLSA-N -1 3 368.466 3.035 20 0 FGADHM CCc1nc2c(s1)[C@@H](N(C)C(=O)c1cccc(-c3nn[n-]n3)c1)CCC2 ZINC000821510037 606937931 /nfs/dbraw/zinc/93/79/31/606937931.db2.gz TWKKNLDKWIRXMR-AWEZNQCLSA-N -1 3 368.466 3.035 20 0 FGADHM Cc1cc(Br)cnc1NCc1ccc(-c2nnn[n-]2)cc1F ZINC000822161079 606940653 /nfs/dbraw/zinc/94/06/53/606940653.db2.gz OMTAOXKEAICFHU-UHFFFAOYSA-N -1 3 363.194 3.084 20 0 FGADHM Cc1cc(Br)cnc1NCc1ccc(-c2nn[n-]n2)cc1F ZINC000822161079 606940654 /nfs/dbraw/zinc/94/06/54/606940654.db2.gz OMTAOXKEAICFHU-UHFFFAOYSA-N -1 3 363.194 3.084 20 0 FGADHM CC[C@H](OC(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccc(Cl)cc1 ZINC000820938522 606941688 /nfs/dbraw/zinc/94/16/88/606941688.db2.gz KSGDCQQVSXSDQD-HNNXBMFYSA-N -1 3 370.796 3.338 20 0 FGADHM CC[C@H](OC(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccc(Cl)cc1 ZINC000820938522 606941690 /nfs/dbraw/zinc/94/16/90/606941690.db2.gz KSGDCQQVSXSDQD-HNNXBMFYSA-N -1 3 370.796 3.338 20 0 FGADHM CCc1nnc(N[C@@H](C)c2ccc(OC)c(F)c2)c(-c2nnn[n-]2)c1CC ZINC000821527875 606941867 /nfs/dbraw/zinc/94/18/67/606941867.db2.gz HPPOWIYHTMBRNE-JTQLQIEISA-N -1 3 371.420 3.102 20 0 FGADHM CCc1nnc(N[C@@H](C)c2ccc(OC)c(F)c2)c(-c2nn[n-]n2)c1CC ZINC000821527875 606941868 /nfs/dbraw/zinc/94/18/68/606941868.db2.gz HPPOWIYHTMBRNE-JTQLQIEISA-N -1 3 371.420 3.102 20 0 FGADHM FC(F)(F)c1ccc(NC[C@H]2CSCCS2)c(-c2nn[n-]n2)c1 ZINC000822728747 606943711 /nfs/dbraw/zinc/94/37/11/606943711.db2.gz LZZWHNFSYVFUGW-VIFPVBQESA-N -1 3 361.418 3.146 20 0 FGADHM FC(F)(F)c1ccc(NC[C@H]2CSCCS2)c(-c2nnn[n-]2)c1 ZINC000822728747 606943710 /nfs/dbraw/zinc/94/37/10/606943710.db2.gz LZZWHNFSYVFUGW-VIFPVBQESA-N -1 3 361.418 3.146 20 0 FGADHM CCc1cc(Sc2cccc(-c3nnn[n-]3)c2)nc(-c2ccncc2)n1 ZINC000821475902 606944473 /nfs/dbraw/zinc/94/44/73/606944473.db2.gz CITGCWLNSJLCOW-UHFFFAOYSA-N -1 3 361.434 3.432 20 0 FGADHM CCc1cc(Sc2cccc(-c3nn[n-]n3)c2)nc(-c2ccncc2)n1 ZINC000821475902 606944474 /nfs/dbraw/zinc/94/44/74/606944474.db2.gz CITGCWLNSJLCOW-UHFFFAOYSA-N -1 3 361.434 3.432 20 0 FGADHM O=C(OCCCOc1cccc(-c2nnn[n-]2)c1)c1cccc(C(F)F)c1 ZINC000823404675 606948842 /nfs/dbraw/zinc/94/88/42/606948842.db2.gz DPXTUASSYRUMNY-UHFFFAOYSA-N -1 3 374.347 3.430 20 0 FGADHM O=C(OCCCOc1cccc(-c2nn[n-]n2)c1)c1cccc(C(F)F)c1 ZINC000823404675 606948843 /nfs/dbraw/zinc/94/88/43/606948843.db2.gz DPXTUASSYRUMNY-UHFFFAOYSA-N -1 3 374.347 3.430 20 0 FGADHM CN(C(=O)[C@H]1C[C@@H]1Cc1ccccc1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821569204 606961991 /nfs/dbraw/zinc/96/19/91/606961991.db2.gz BUYDBAUXAIVYPZ-BBRMVZONSA-N -1 3 367.840 3.362 20 0 FGADHM CN(C(=O)[C@H]1C[C@@H]1Cc1ccccc1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821569204 606961994 /nfs/dbraw/zinc/96/19/94/606961994.db2.gz BUYDBAUXAIVYPZ-BBRMVZONSA-N -1 3 367.840 3.362 20 0 FGADHM C[C@H]1CCCC[C@H]1OCC(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000820703961 606962030 /nfs/dbraw/zinc/96/20/30/606962030.db2.gz KRMMZUYRHPVOTK-XHDPSFHLSA-N -1 3 363.849 3.078 20 0 FGADHM C[C@H]1CCCC[C@H]1OCC(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000820703961 606962032 /nfs/dbraw/zinc/96/20/32/606962032.db2.gz KRMMZUYRHPVOTK-XHDPSFHLSA-N -1 3 363.849 3.078 20 0 FGADHM CCOc1cccc(C(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)c1 ZINC000821426755 606964046 /nfs/dbraw/zinc/96/40/46/606964046.db2.gz ISPMJJZLWPHVOW-UHFFFAOYSA-N -1 3 357.801 3.195 20 0 FGADHM CCOc1cccc(C(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)c1 ZINC000821426755 606964047 /nfs/dbraw/zinc/96/40/47/606964047.db2.gz ISPMJJZLWPHVOW-UHFFFAOYSA-N -1 3 357.801 3.195 20 0 FGADHM CN(C(=O)COc1ccc2ccccc2c1)c1ccccc1-c1nnn[n-]1 ZINC000821570909 606971136 /nfs/dbraw/zinc/97/11/36/606971136.db2.gz QJTXESJRFZMLBZ-UHFFFAOYSA-N -1 3 359.389 3.062 20 0 FGADHM CN(C(=O)COc1ccc2ccccc2c1)c1ccccc1-c1nn[n-]n1 ZINC000821570909 606971138 /nfs/dbraw/zinc/97/11/38/606971138.db2.gz QJTXESJRFZMLBZ-UHFFFAOYSA-N -1 3 359.389 3.062 20 0 FGADHM Cc1oc(-c2ccccc2)nc1CC(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC000822535341 606972298 /nfs/dbraw/zinc/97/22/98/606972298.db2.gz NTBPOMUQBOQIJB-UHFFFAOYSA-N -1 3 374.404 3.036 20 0 FGADHM Cc1oc(-c2ccccc2)nc1CC(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC000822535341 606972299 /nfs/dbraw/zinc/97/22/99/606972299.db2.gz NTBPOMUQBOQIJB-UHFFFAOYSA-N -1 3 374.404 3.036 20 0 FGADHM C[C@@H]1CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C[C@H](c2ccc(F)cc2)O1 ZINC000820761315 606976303 /nfs/dbraw/zinc/97/63/03/606976303.db2.gz XAERLUXBCIDEQM-KZULUSFZSA-N -1 3 371.391 3.107 20 0 FGADHM C[C@@H]1CN(Cc2ccc(F)c(-c3nn[n-]n3)c2)C[C@H](c2ccc(F)cc2)O1 ZINC000820761315 606976305 /nfs/dbraw/zinc/97/63/05/606976305.db2.gz XAERLUXBCIDEQM-KZULUSFZSA-N -1 3 371.391 3.107 20 0 FGADHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc(Cl)cc1 ZINC000820001113 606976769 /nfs/dbraw/zinc/97/67/69/606976769.db2.gz DVYZOEHDLVETCZ-UHFFFAOYSA-N -1 3 357.801 3.316 20 0 FGADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc(Cl)cc1 ZINC000820001113 606976771 /nfs/dbraw/zinc/97/67/71/606976771.db2.gz DVYZOEHDLVETCZ-UHFFFAOYSA-N -1 3 357.801 3.316 20 0 FGADHM Cc1cccc([C@H]2CCCN2C(=S)Nc2ccccc2-c2nnn[n-]2)n1 ZINC000822299586 606979238 /nfs/dbraw/zinc/97/92/38/606979238.db2.gz NRIBQCVVAUXZJN-MRXNPFEDSA-N -1 3 365.466 3.104 20 0 FGADHM Cc1cccc([C@H]2CCCN2C(=S)Nc2ccccc2-c2nn[n-]n2)n1 ZINC000822299586 606979240 /nfs/dbraw/zinc/97/92/40/606979240.db2.gz NRIBQCVVAUXZJN-MRXNPFEDSA-N -1 3 365.466 3.104 20 0 FGADHM Cc1coc(-c2cccc(NC(=O)CCc3ccc(-c4nnn[n-]4)cc3)c2)n1 ZINC000822403481 606989042 /nfs/dbraw/zinc/98/90/42/606989042.db2.gz PCDMTISPXNQMIW-UHFFFAOYSA-N -1 3 374.404 3.401 20 0 FGADHM Cc1coc(-c2cccc(NC(=O)CCc3ccc(-c4nn[n-]n4)cc3)c2)n1 ZINC000822403481 606989043 /nfs/dbraw/zinc/98/90/43/606989043.db2.gz PCDMTISPXNQMIW-UHFFFAOYSA-N -1 3 374.404 3.401 20 0 FGADHM Cc1[nH]c2ccccc2c1C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822010278 606992133 /nfs/dbraw/zinc/99/21/33/606992133.db2.gz WDGLAISLWCVCPC-UHFFFAOYSA-N -1 3 351.341 3.153 20 0 FGADHM Cc1[nH]c2ccccc2c1C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822010278 606992134 /nfs/dbraw/zinc/99/21/34/606992134.db2.gz WDGLAISLWCVCPC-UHFFFAOYSA-N -1 3 351.341 3.153 20 0 FGADHM Cc1c2cc(C)ccc2[nH]c1C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000822271454 606992954 /nfs/dbraw/zinc/99/29/54/606992954.db2.gz ZZGCUQQMMOLEES-CYBMUJFWSA-N -1 3 360.421 3.456 20 0 FGADHM Cc1c2cc(C)ccc2[nH]c1C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000822271454 606992955 /nfs/dbraw/zinc/99/29/55/606992955.db2.gz ZZGCUQQMMOLEES-CYBMUJFWSA-N -1 3 360.421 3.456 20 0 FGADHM CCn1c(SCc2ccccc2-c2nnn[n-]2)nnc1-c1cccs1 ZINC000821565268 606998283 /nfs/dbraw/zinc/99/82/83/606998283.db2.gz LQEBYTANXHBZBW-UHFFFAOYSA-N -1 3 369.479 3.499 20 0 FGADHM CCn1c(SCc2ccccc2-c2nn[n-]n2)nnc1-c1cccs1 ZINC000821565268 606998284 /nfs/dbraw/zinc/99/82/84/606998284.db2.gz LQEBYTANXHBZBW-UHFFFAOYSA-N -1 3 369.479 3.499 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)c1csc(-c2ccoc2)n1 ZINC000823426370 606999865 /nfs/dbraw/zinc/99/98/65/606999865.db2.gz GABVNBNOHKEQHL-UHFFFAOYSA-N -1 3 371.353 3.079 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)c1csc(-c2ccoc2)n1 ZINC000823426370 606999868 /nfs/dbraw/zinc/99/98/68/606999868.db2.gz GABVNBNOHKEQHL-UHFFFAOYSA-N -1 3 371.353 3.079 20 0 FGADHM CS[C@H](C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000821941870 606999968 /nfs/dbraw/zinc/99/99/68/606999968.db2.gz KINYMVLUCFKTHC-HNNXBMFYSA-N -1 3 358.398 3.153 20 0 FGADHM CS[C@H](C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000821941870 606999969 /nfs/dbraw/zinc/99/99/69/606999969.db2.gz KINYMVLUCFKTHC-HNNXBMFYSA-N -1 3 358.398 3.153 20 0 FGADHM CC[C@H](Oc1cccc(C)c1)C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820938896 607001145 /nfs/dbraw/zinc/00/11/45/607001145.db2.gz OGQDVGZHHFXIMC-KRWDZBQOSA-N -1 3 370.384 3.215 20 0 FGADHM CC[C@H](Oc1cccc(C)c1)C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820938896 607001147 /nfs/dbraw/zinc/00/11/47/607001147.db2.gz OGQDVGZHHFXIMC-KRWDZBQOSA-N -1 3 370.384 3.215 20 0 FGADHM Fc1ccc(COc2nc(-c3ccccc3Cl)no2)cc1-c1nnn[n-]1 ZINC000822772040 607008815 /nfs/dbraw/zinc/00/88/15/607008815.db2.gz PMBUTPUADSCRJT-UHFFFAOYSA-N -1 3 372.747 3.288 20 0 FGADHM Fc1ccc(COc2nc(-c3ccccc3Cl)no2)cc1-c1nn[n-]n1 ZINC000822772040 607008816 /nfs/dbraw/zinc/00/88/16/607008816.db2.gz PMBUTPUADSCRJT-UHFFFAOYSA-N -1 3 372.747 3.288 20 0 FGADHM CC(C)[C@@H](NC(=O)CSc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000820025959 607012807 /nfs/dbraw/zinc/01/28/07/607012807.db2.gz FWOHUTOATFUNQW-GOSISDBHSA-N -1 3 367.478 3.472 20 0 FGADHM CC(C)[C@@H](NC(=O)CSc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000820025959 607012808 /nfs/dbraw/zinc/01/28/08/607012808.db2.gz FWOHUTOATFUNQW-GOSISDBHSA-N -1 3 367.478 3.472 20 0 FGADHM CCc1c(C(=O)CSc2cccc(-c3nnn[n-]3)c2)[nH]c(C)c1C(C)=O ZINC000821462289 607013285 /nfs/dbraw/zinc/01/32/85/607013285.db2.gz YOTKLMFYXSKPPV-UHFFFAOYSA-N -1 3 369.450 3.243 20 0 FGADHM CCc1c(C(=O)CSc2cccc(-c3nn[n-]n3)c2)[nH]c(C)c1C(C)=O ZINC000821462289 607013286 /nfs/dbraw/zinc/01/32/86/607013286.db2.gz YOTKLMFYXSKPPV-UHFFFAOYSA-N -1 3 369.450 3.243 20 0 FGADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CCc2cc(-c3ccccc3)ccc21 ZINC000823466659 607013424 /nfs/dbraw/zinc/01/34/24/607013424.db2.gz NRJRFZIJMRBXLK-UHFFFAOYSA-N -1 3 356.389 3.065 20 0 FGADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CCc2cc(-c3ccccc3)ccc21 ZINC000823466659 607013427 /nfs/dbraw/zinc/01/34/27/607013427.db2.gz NRJRFZIJMRBXLK-UHFFFAOYSA-N -1 3 356.389 3.065 20 0 FGADHM Cc1nc(C)c(COc2ccc(Br)cc2-c2nnn[n-]2)s1 ZINC000822432001 607031985 /nfs/dbraw/zinc/03/19/85/607031985.db2.gz SOJGRTRCEJAMQW-UHFFFAOYSA-N -1 3 366.244 3.282 20 0 FGADHM Cc1nc(C)c(COc2ccc(Br)cc2-c2nn[n-]n2)s1 ZINC000822432001 607031987 /nfs/dbraw/zinc/03/19/87/607031987.db2.gz SOJGRTRCEJAMQW-UHFFFAOYSA-N -1 3 366.244 3.282 20 0 FGADHM c1ccc2c(c1)nc(NCC[C@H]1COc3ccccc3O1)cc2-c1nnn[n-]1 ZINC000823802428 607038948 /nfs/dbraw/zinc/03/89/48/607038948.db2.gz NKGKJTQPNXMVJS-ZDUSSCGKSA-N -1 3 374.404 3.057 20 0 FGADHM c1ccc2c(c1)nc(NCC[C@H]1COc3ccccc3O1)cc2-c1nn[n-]n1 ZINC000823802428 607038950 /nfs/dbraw/zinc/03/89/50/607038950.db2.gz NKGKJTQPNXMVJS-ZDUSSCGKSA-N -1 3 374.404 3.057 20 0 FGADHM c1ccc2nc(NCC[C@@H]3COc4ccccc4O3)c(-c3nnn[n-]3)cc2c1 ZINC000823802658 607039758 /nfs/dbraw/zinc/03/97/58/607039758.db2.gz WVSYOILJGVGGCL-CQSZACIVSA-N -1 3 374.404 3.057 20 0 FGADHM c1ccc2nc(NCC[C@@H]3COc4ccccc4O3)c(-c3nn[n-]n3)cc2c1 ZINC000823802658 607039760 /nfs/dbraw/zinc/03/97/60/607039760.db2.gz WVSYOILJGVGGCL-CQSZACIVSA-N -1 3 374.404 3.057 20 0 FGADHM CC(C)(C)OC1CCN(c2cc(-c3nnn[n-]3)c3ccccc3n2)CC1 ZINC000819945808 607043589 /nfs/dbraw/zinc/04/35/89/607043589.db2.gz FIYKAFVAOGTQOT-UHFFFAOYSA-N -1 3 352.442 3.199 20 0 FGADHM CC(C)(C)OC1CCN(c2cc(-c3nn[n-]n3)c3ccccc3n2)CC1 ZINC000819945808 607043591 /nfs/dbraw/zinc/04/35/91/607043591.db2.gz FIYKAFVAOGTQOT-UHFFFAOYSA-N -1 3 352.442 3.199 20 0 FGADHM C[C@@H]1CO[C@@H](c2ccccc2)[C@H](C)N1Cc1cc(F)ccc1-c1nn[n-]n1 ZINC000820804352 607065296 /nfs/dbraw/zinc/06/52/96/607065296.db2.gz REGHMTQRKHPNPF-BIENJYKASA-N -1 3 367.428 3.356 20 0 FGADHM Cc1cc(COC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)c(C)s1 ZINC000822200925 607083491 /nfs/dbraw/zinc/08/34/91/607083491.db2.gz IUVDPSMWYAQFPV-UHFFFAOYSA-N -1 3 372.450 3.446 20 0 FGADHM Cc1cc(COC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)c(C)s1 ZINC000822200925 607083493 /nfs/dbraw/zinc/08/34/93/607083493.db2.gz IUVDPSMWYAQFPV-UHFFFAOYSA-N -1 3 372.450 3.446 20 0 FGADHM Cc1cccc2c(CC(=O)OCc3cc(F)ccc3-c3nnn[n-]3)c[nH]c21 ZINC000822332309 607084316 /nfs/dbraw/zinc/08/43/16/607084316.db2.gz NXSCDYZEXXNAJU-UHFFFAOYSA-N -1 3 365.368 3.081 20 0 FGADHM Cc1cccc2c(CC(=O)OCc3cc(F)ccc3-c3nn[n-]n3)c[nH]c21 ZINC000822332309 607084318 /nfs/dbraw/zinc/08/43/18/607084318.db2.gz NXSCDYZEXXNAJU-UHFFFAOYSA-N -1 3 365.368 3.081 20 0 FGADHM Cc1ccc(CCCC(=O)OCc2cc(F)ccc2-c2nnn[n-]2)s1 ZINC000822236184 607086386 /nfs/dbraw/zinc/08/63/86/607086386.db2.gz NGFHTNFXLHSINK-UHFFFAOYSA-N -1 3 360.414 3.442 20 0 FGADHM Cc1ccc(CCCC(=O)OCc2cc(F)ccc2-c2nn[n-]n2)s1 ZINC000822236184 607086388 /nfs/dbraw/zinc/08/63/88/607086388.db2.gz NGFHTNFXLHSINK-UHFFFAOYSA-N -1 3 360.414 3.442 20 0 FGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)N(C1CC1)C1CCCCC1 ZINC000823250052 607103895 /nfs/dbraw/zinc/10/38/95/607103895.db2.gz QUHUWSAWYMTRFQ-UHFFFAOYSA-N -1 3 358.421 3.013 20 0 FGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)N(C1CC1)C1CCCCC1 ZINC000823250052 607103894 /nfs/dbraw/zinc/10/38/94/607103894.db2.gz QUHUWSAWYMTRFQ-UHFFFAOYSA-N -1 3 358.421 3.013 20 0 FGADHM COc1ccc(C(C)(C)C(=O)OCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000821772607 607116711 /nfs/dbraw/zinc/11/67/11/607116711.db2.gz HSQWEIUZIDULRG-UHFFFAOYSA-N -1 3 370.384 3.035 20 0 FGADHM COc1ccc(C(C)(C)C(=O)OCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000821772607 607116713 /nfs/dbraw/zinc/11/67/13/607116713.db2.gz HSQWEIUZIDULRG-UHFFFAOYSA-N -1 3 370.384 3.035 20 0 FGADHM C[C@@H]1CN(Cc2cc(F)ccc2-c2nnn[n-]2)C[C@@H](c2ccsc2)O1 ZINC000820758799 607122646 /nfs/dbraw/zinc/12/26/46/607122646.db2.gz DEEJNNPBIITMEG-BZNIZROVSA-N -1 3 359.430 3.029 20 0 FGADHM C[C@@H]1CN(Cc2cc(F)ccc2-c2nn[n-]n2)C[C@@H](c2ccsc2)O1 ZINC000820758799 607122647 /nfs/dbraw/zinc/12/26/47/607122647.db2.gz DEEJNNPBIITMEG-BZNIZROVSA-N -1 3 359.430 3.029 20 0 FGADHM C[C@H]1CN(Cc2ccc(F)cc2-c2nnn[n-]2)C[C@H](c2ccsc2)O1 ZINC000820759392 607122909 /nfs/dbraw/zinc/12/29/09/607122909.db2.gz KTSCYYPRIIKEOB-MEDUHNTESA-N -1 3 359.430 3.029 20 0 FGADHM C[C@H]1CN(Cc2ccc(F)cc2-c2nn[n-]n2)C[C@H](c2ccsc2)O1 ZINC000820759392 607122911 /nfs/dbraw/zinc/12/29/11/607122911.db2.gz KTSCYYPRIIKEOB-MEDUHNTESA-N -1 3 359.430 3.029 20 0 FGADHM Cc1ccccc1-c1nc(CNc2ccc(-c3nn[n-]n3)cc2Cl)no1 ZINC000822345942 607124123 /nfs/dbraw/zinc/12/41/23/607124123.db2.gz WZSGVHDAMZBGKZ-UHFFFAOYSA-N -1 3 367.800 3.491 20 0 FGADHM O=C(CNc1ccc(-c2nn[n-]n2)cc1Cl)N1CCC[C@@H]2CCCC[C@H]21 ZINC000823014123 607125033 /nfs/dbraw/zinc/12/50/33/607125033.db2.gz GVANTAHKASNAOX-BLLLJJGKSA-N -1 3 374.876 3.113 20 0 FGADHM Fc1ccc(OC(F)F)c(NCCOc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822783115 607126400 /nfs/dbraw/zinc/12/64/00/607126400.db2.gz VQMVJRLWCSGGAX-UHFFFAOYSA-N -1 3 365.315 3.098 20 0 FGADHM Cc1cc2nc(Oc3ccc(-c4nnn[n-]4)cc3F)c3ccccc3n2n1 ZINC000822213088 607128897 /nfs/dbraw/zinc/12/88/97/607128897.db2.gz UBOSEJILWKUHIB-UHFFFAOYSA-N -1 3 361.340 3.302 20 0 FGADHM Cc1cc2nc(Oc3ccc(-c4nn[n-]n4)cc3F)c3ccccc3n2n1 ZINC000822213088 607128899 /nfs/dbraw/zinc/12/88/99/607128899.db2.gz UBOSEJILWKUHIB-UHFFFAOYSA-N -1 3 361.340 3.302 20 0 FGADHM O=C(NC1CC=CC1)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000823146031 607133545 /nfs/dbraw/zinc/13/35/45/607133545.db2.gz UDDHPRRZJGTMPK-UHFFFAOYSA-N -1 3 363.446 3.466 20 0 FGADHM O=C(NC1CC=CC1)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000823146031 607133546 /nfs/dbraw/zinc/13/35/46/607133546.db2.gz UDDHPRRZJGTMPK-UHFFFAOYSA-N -1 3 363.446 3.466 20 0 FGADHM C[C@@H](Oc1ccc(-c2nnn[n-]2)cc1F)c1nnc(-c2ccccc2)o1 ZINC000820535599 607137541 /nfs/dbraw/zinc/13/75/41/607137541.db2.gz PHUNWFAOSSATGJ-SNVBAGLBSA-N -1 3 352.329 3.196 20 0 FGADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1F)c1nnc(-c2ccccc2)o1 ZINC000820535599 607137542 /nfs/dbraw/zinc/13/75/42/607137542.db2.gz PHUNWFAOSSATGJ-SNVBAGLBSA-N -1 3 352.329 3.196 20 0 FGADHM Cc1cccc(NC(=O)[C@H](C)Oc2ccc(-c3nnn[n-]3)cc2F)c1C ZINC000822324033 607138610 /nfs/dbraw/zinc/13/86/10/607138610.db2.gz SIFZGPXXCFJNMY-LBPRGKRZSA-N -1 3 355.373 3.029 20 0 FGADHM Cc1cccc(NC(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2F)c1C ZINC000822324033 607138611 /nfs/dbraw/zinc/13/86/11/607138611.db2.gz SIFZGPXXCFJNMY-LBPRGKRZSA-N -1 3 355.373 3.029 20 0 FGADHM O=C(C=CSCc1ccco1)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000822923334 607143084 /nfs/dbraw/zinc/14/30/84/607143084.db2.gz PYGKRSCGPOLZLF-SOFGYWHQSA-N -1 3 373.463 3.396 20 0 FGADHM O=C(/C=C/SCc1ccco1)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000822923334 607143086 /nfs/dbraw/zinc/14/30/86/607143086.db2.gz PYGKRSCGPOLZLF-SOFGYWHQSA-N -1 3 373.463 3.396 20 0 FGADHM CC[C@H](OC1CCCCC1)C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820939043 607152034 /nfs/dbraw/zinc/15/20/34/607152034.db2.gz PFHWPEMMWMVDKR-DYVFJYSZSA-N -1 3 357.458 3.172 20 0 FGADHM CC[C@H](OC1CCCCC1)C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820939043 607152035 /nfs/dbraw/zinc/15/20/35/607152035.db2.gz PFHWPEMMWMVDKR-DYVFJYSZSA-N -1 3 357.458 3.172 20 0 FGADHM Cc1ccccc1[C@@H](C)OC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000822345127 607158612 /nfs/dbraw/zinc/15/86/12/607158612.db2.gz FMAYKHWDBCVQCO-KGLIPLIRSA-N -1 3 352.394 3.247 20 0 FGADHM Cc1ccccc1[C@@H](C)OC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000822345127 607158613 /nfs/dbraw/zinc/15/86/13/607158613.db2.gz FMAYKHWDBCVQCO-KGLIPLIRSA-N -1 3 352.394 3.247 20 0 FGADHM Clc1cccc(-c2nnc(CNc3ccc(-c4nn[n-]n4)cc3)o2)c1 ZINC000822581415 607164759 /nfs/dbraw/zinc/16/47/59/607164759.db2.gz HWSYPEXGEXAHGT-UHFFFAOYSA-N -1 3 353.773 3.182 20 0 FGADHM Cc1ccc(NCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)cc1Cl ZINC000822259112 607167349 /nfs/dbraw/zinc/16/73/49/607167349.db2.gz MWBQLYXFIIVDJF-UHFFFAOYSA-N -1 3 367.800 3.491 20 0 FGADHM Cc1ccc(NCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)cc1Cl ZINC000822259112 607167351 /nfs/dbraw/zinc/16/73/51/607167351.db2.gz MWBQLYXFIIVDJF-UHFFFAOYSA-N -1 3 367.800 3.491 20 0 FGADHM Cc1ccccc1-c1nc(CNc2ccc(-c3nnn[n-]3)c(Cl)c2)no1 ZINC000822345454 607168021 /nfs/dbraw/zinc/16/80/21/607168021.db2.gz JOLRIOSWIKNYKZ-UHFFFAOYSA-N -1 3 367.800 3.491 20 0 FGADHM Cc1ccccc1-c1nc(CNc2ccc(-c3nn[n-]n3)c(Cl)c2)no1 ZINC000822345454 607168022 /nfs/dbraw/zinc/16/80/22/607168022.db2.gz JOLRIOSWIKNYKZ-UHFFFAOYSA-N -1 3 367.800 3.491 20 0 FGADHM C[C@@H](N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)c1nc(-c2ccccc2)no1 ZINC000820411296 607171859 /nfs/dbraw/zinc/17/18/59/607171859.db2.gz IFISCCIPKWCOBQ-QWHCGFSZSA-N -1 3 361.409 3.329 20 0 FGADHM C[C@@H](N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)c1nc(-c2ccccc2)no1 ZINC000820411296 607171860 /nfs/dbraw/zinc/17/18/60/607171860.db2.gz IFISCCIPKWCOBQ-QWHCGFSZSA-N -1 3 361.409 3.329 20 0 FGADHM CCC[C@H](C)[C@H]1CCCN1C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC000821014461 607194123 /nfs/dbraw/zinc/19/41/23/607194123.db2.gz HKZIKGUODFTGPC-SWLSCSKDSA-N -1 3 358.446 3.308 20 0 FGADHM CCC[C@H](C)[C@H]1CCCN1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC000821014461 607194124 /nfs/dbraw/zinc/19/41/24/607194124.db2.gz HKZIKGUODFTGPC-SWLSCSKDSA-N -1 3 358.446 3.308 20 0 FGADHM C[C@@H](Cc1cccs1)NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820300338 607200510 /nfs/dbraw/zinc/20/05/10/607200510.db2.gz PVWXXRNSVPTRIW-VIFPVBQESA-N -1 3 362.846 3.334 20 0 FGADHM C[C@@H](Cc1cccs1)NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820300338 607200511 /nfs/dbraw/zinc/20/05/11/607200511.db2.gz PVWXXRNSVPTRIW-VIFPVBQESA-N -1 3 362.846 3.334 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N[C@H]1CCCC(F)(F)C1 ZINC000823318870 607202234 /nfs/dbraw/zinc/20/22/34/607202234.db2.gz MNWWYGDQWCAKQC-VIFPVBQESA-N -1 3 356.764 3.220 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N[C@H]1CCCC(F)(F)C1 ZINC000823318870 607202235 /nfs/dbraw/zinc/20/22/35/607202235.db2.gz MNWWYGDQWCAKQC-VIFPVBQESA-N -1 3 356.764 3.220 20 0 FGADHM CCC[C@@H](C)[C@@H]1CCCN1C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000821015672 607206440 /nfs/dbraw/zinc/20/64/40/607206440.db2.gz RXRLRMYPGITPKO-WBMJQRKESA-N -1 3 360.437 3.116 20 0 FGADHM CCC[C@@H](C)[C@@H]1CCCN1C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000821015672 607206441 /nfs/dbraw/zinc/20/64/41/607206441.db2.gz RXRLRMYPGITPKO-WBMJQRKESA-N -1 3 360.437 3.116 20 0 FGADHM COc1ccccc1[C@H](NCc1cccc(-c2nnn[n-]2)c1)c1ccco1 ZINC000821882469 607229869 /nfs/dbraw/zinc/22/98/69/607229869.db2.gz BWIJXHWPTDPVOI-IBGZPJMESA-N -1 3 361.405 3.348 20 0 FGADHM COc1ccccc1[C@H](NCc1cccc(-c2nn[n-]n2)c1)c1ccco1 ZINC000821882469 607229870 /nfs/dbraw/zinc/22/98/70/607229870.db2.gz BWIJXHWPTDPVOI-IBGZPJMESA-N -1 3 361.405 3.348 20 0 FGADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1C(F)(F)F ZINC000823451708 607235085 /nfs/dbraw/zinc/23/50/85/607235085.db2.gz YPJPQOQOIVTEEQ-UHFFFAOYSA-N -1 3 352.247 3.244 20 0 FGADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1C(F)(F)F ZINC000823451708 607235086 /nfs/dbraw/zinc/23/50/86/607235086.db2.gz YPJPQOQOIVTEEQ-UHFFFAOYSA-N -1 3 352.247 3.244 20 0 FGADHM O=C(Cc1ccco1)Nc1sc(-c2ccccc2)cc1-c1nnn[n-]1 ZINC000823115886 607237787 /nfs/dbraw/zinc/23/77/87/607237787.db2.gz WLKMVMVKMMJCDB-UHFFFAOYSA-N -1 3 351.391 3.369 20 0 FGADHM O=C(Cc1ccco1)Nc1sc(-c2ccccc2)cc1-c1nn[n-]n1 ZINC000823115886 607237788 /nfs/dbraw/zinc/23/77/88/607237788.db2.gz WLKMVMVKMMJCDB-UHFFFAOYSA-N -1 3 351.391 3.369 20 0 FGADHM COc1cc(C)c(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc1OC ZINC000821708444 607242293 /nfs/dbraw/zinc/24/22/93/607242293.db2.gz PYMPRUJHWDBVAV-UHFFFAOYSA-N -1 3 373.800 3.098 20 0 FGADHM COc1cc(C)c(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc1OC ZINC000821708444 607242294 /nfs/dbraw/zinc/24/22/94/607242294.db2.gz PYMPRUJHWDBVAV-UHFFFAOYSA-N -1 3 373.800 3.098 20 0 FGADHM COc1ccccc1[C@H](C)CC(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000821883013 607246375 /nfs/dbraw/zinc/24/63/75/607246375.db2.gz QGHRFBLTFFPMLD-LLVKDONJSA-N -1 3 356.357 3.114 20 0 FGADHM COc1ccccc1[C@H](C)CC(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000821883013 607246376 /nfs/dbraw/zinc/24/63/76/607246376.db2.gz QGHRFBLTFFPMLD-LLVKDONJSA-N -1 3 356.357 3.114 20 0 FGADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000823450332 607248448 /nfs/dbraw/zinc/24/84/48/607248448.db2.gz ONFZDCWDENZLII-ZJUUUORDSA-N -1 3 358.295 3.280 20 0 FGADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000823450332 607248449 /nfs/dbraw/zinc/24/84/49/607248449.db2.gz ONFZDCWDENZLII-ZJUUUORDSA-N -1 3 358.295 3.280 20 0 FGADHM CC(C)c1ccccc1OCC(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000820198425 607248688 /nfs/dbraw/zinc/24/86/88/607248688.db2.gz VLMKKEZSCLELMO-UHFFFAOYSA-N -1 3 356.357 3.114 20 0 FGADHM CC(C)c1ccccc1OCC(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000820198425 607248689 /nfs/dbraw/zinc/24/86/89/607248689.db2.gz VLMKKEZSCLELMO-UHFFFAOYSA-N -1 3 356.357 3.114 20 0 FGADHM CC[C@H](C)OCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCCC2 ZINC000825074366 607785376 /nfs/dbraw/zinc/78/53/76/607785376.db2.gz HAQSPMJLLPKEQF-NSHDSACASA-N -1 3 363.487 3.341 20 0 FGADHM CC[C@H](C)OCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCCC2 ZINC000825074366 607785377 /nfs/dbraw/zinc/78/53/77/607785377.db2.gz HAQSPMJLLPKEQF-NSHDSACASA-N -1 3 363.487 3.341 20 0 FGADHM CCc1cccc(CC(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)c1 ZINC000825722711 607785740 /nfs/dbraw/zinc/78/57/40/607785740.db2.gz KHMIFCRRBVJCNJ-UHFFFAOYSA-N -1 3 352.442 3.167 20 0 FGADHM CCc1cccc(CC(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)c1 ZINC000825722711 607785741 /nfs/dbraw/zinc/78/57/41/607785741.db2.gz KHMIFCRRBVJCNJ-UHFFFAOYSA-N -1 3 352.442 3.167 20 0 FGADHM CCSc1ccc(CC(=O)N(C)c2ccccc2-c2nnn[n-]2)cc1 ZINC000825674369 607786408 /nfs/dbraw/zinc/78/64/08/607786408.db2.gz KPGYOXNJLLJKAU-UHFFFAOYSA-N -1 3 353.451 3.184 20 0 FGADHM CCSc1ccc(CC(=O)N(C)c2ccccc2-c2nn[n-]n2)cc1 ZINC000825674369 607786409 /nfs/dbraw/zinc/78/64/09/607786409.db2.gz KPGYOXNJLLJKAU-UHFFFAOYSA-N -1 3 353.451 3.184 20 0 FGADHM Cc1ccc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CC[C@H](C)C3)nc1 ZINC000826282602 607793232 /nfs/dbraw/zinc/79/32/32/607793232.db2.gz WOWJTBHKPHYPBS-VIFPVBQESA-N -1 3 354.439 3.009 20 0 FGADHM Cc1ccc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CC[C@H](C)C3)nc1 ZINC000826282602 607793233 /nfs/dbraw/zinc/79/32/33/607793233.db2.gz WOWJTBHKPHYPBS-VIFPVBQESA-N -1 3 354.439 3.009 20 0 FGADHM O=C(Nc1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1)C(C1CC1)C1CC1 ZINC000826459588 607793572 /nfs/dbraw/zinc/79/35/72/607793572.db2.gz PYHTXQNBSWBWSB-UHFFFAOYSA-N -1 3 366.450 3.365 20 0 FGADHM O=C(Nc1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1)C(C1CC1)C1CC1 ZINC000826459588 607793573 /nfs/dbraw/zinc/79/35/73/607793573.db2.gz PYHTXQNBSWBWSB-UHFFFAOYSA-N -1 3 366.450 3.365 20 0 FGADHM CCCOc1cccc(CC(=O)N(CC)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000825341429 607797976 /nfs/dbraw/zinc/79/79/76/607797976.db2.gz DCBGFCMYRSHRQK-UHFFFAOYSA-N -1 3 365.437 3.251 20 0 FGADHM CCCOc1cccc(CC(=O)N(CC)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000825341429 607797977 /nfs/dbraw/zinc/79/79/77/607797977.db2.gz DCBGFCMYRSHRQK-UHFFFAOYSA-N -1 3 365.437 3.251 20 0 FGADHM CCN(C(=O)CCCOc1cccc(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825371030 607798261 /nfs/dbraw/zinc/79/82/61/607798261.db2.gz AVPFBSISFKTIBN-UHFFFAOYSA-N -1 3 369.400 3.218 20 0 FGADHM CCN(C(=O)CCCOc1cccc(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825371030 607798262 /nfs/dbraw/zinc/79/82/62/607798262.db2.gz AVPFBSISFKTIBN-UHFFFAOYSA-N -1 3 369.400 3.218 20 0 FGADHM CC1(c2ccccc2)CCN(c2ncc(-c3nnn[n-]3)cc2Cl)CC1 ZINC000824844315 607810074 /nfs/dbraw/zinc/81/00/74/607810074.db2.gz VSUFKVTWOIOUKF-UHFFFAOYSA-N -1 3 354.845 3.473 20 0 FGADHM CC1(c2ccccc2)CCN(c2ncc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000824844315 607810075 /nfs/dbraw/zinc/81/00/75/607810075.db2.gz VSUFKVTWOIOUKF-UHFFFAOYSA-N -1 3 354.845 3.473 20 0 FGADHM CC(C)(CCC(=O)NCc1cc(-c2nnn[n-]2)ccc1F)c1ccccc1 ZINC000824152324 607818867 /nfs/dbraw/zinc/81/88/67/607818867.db2.gz ADAIXISOQVWKRE-UHFFFAOYSA-N -1 3 367.428 3.380 20 0 FGADHM CC(C)(CCC(=O)NCc1cc(-c2nn[n-]n2)ccc1F)c1ccccc1 ZINC000824152324 607818868 /nfs/dbraw/zinc/81/88/68/607818868.db2.gz ADAIXISOQVWKRE-UHFFFAOYSA-N -1 3 367.428 3.380 20 0 FGADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)C[C@@H](C)c2c(C)noc2C)s1 ZINC000825694654 607827102 /nfs/dbraw/zinc/82/71/02/607827102.db2.gz YJDDBZBAFVPUML-MRVPVSSYSA-N -1 3 360.443 3.228 20 0 FGADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)C[C@@H](C)c2c(C)noc2C)s1 ZINC000825694654 607827103 /nfs/dbraw/zinc/82/71/03/607827103.db2.gz YJDDBZBAFVPUML-MRVPVSSYSA-N -1 3 360.443 3.228 20 0 FGADHM COc1ccc2cccc(CC(=O)OCc3ccccc3-c3nnn[n-]3)c2c1 ZINC000826214056 607827463 /nfs/dbraw/zinc/82/74/63/607827463.db2.gz YKTJYNBZASBCTG-UHFFFAOYSA-N -1 3 374.400 3.314 20 0 FGADHM COc1ccc2cccc(CC(=O)OCc3ccccc3-c3nn[n-]n3)c2c1 ZINC000826214056 607827464 /nfs/dbraw/zinc/82/74/64/607827464.db2.gz YKTJYNBZASBCTG-UHFFFAOYSA-N -1 3 374.400 3.314 20 0 FGADHM c1nn(-c2ccccc2)cc1CNc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000826519953 607839824 /nfs/dbraw/zinc/83/98/24/607839824.db2.gz VRDGCXOBNQLEEL-UHFFFAOYSA-N -1 3 368.404 3.213 20 0 FGADHM c1nn(-c2ccccc2)cc1CNc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000826519953 607839825 /nfs/dbraw/zinc/83/98/25/607839825.db2.gz VRDGCXOBNQLEEL-UHFFFAOYSA-N -1 3 368.404 3.213 20 0 FGADHM O[C@@H](COc1ccccc1)CSc1ccc(-c2nnn[n-]2)cc1Cl ZINC000826505355 607843336 /nfs/dbraw/zinc/84/33/36/607843336.db2.gz TXMRSHHIKPNJED-LBPRGKRZSA-N -1 3 362.842 3.052 20 0 FGADHM O[C@@H](COc1ccccc1)CSc1ccc(-c2nn[n-]n2)cc1Cl ZINC000826505355 607843337 /nfs/dbraw/zinc/84/33/37/607843337.db2.gz TXMRSHHIKPNJED-LBPRGKRZSA-N -1 3 362.842 3.052 20 0 FGADHM CC1(NC(=O)NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)CCC1 ZINC000824832066 607859808 /nfs/dbraw/zinc/85/98/08/607859808.db2.gz QWHBQQKHPYTDDY-UHFFFAOYSA-N -1 3 368.466 3.337 20 0 FGADHM O[C@@H](COc1cc(Cl)ccc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000826503935 607870265 /nfs/dbraw/zinc/87/02/65/607870265.db2.gz JXOISPBIJJVQBX-ZDUSSCGKSA-N -1 3 351.193 3.286 20 0 FGADHM O[C@@H](COc1cc(Cl)ccc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000826503935 607870266 /nfs/dbraw/zinc/87/02/66/607870266.db2.gz JXOISPBIJJVQBX-ZDUSSCGKSA-N -1 3 351.193 3.286 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1OC[C@H](O)COc1ccccc1C(C)C ZINC000826254903 607875763 /nfs/dbraw/zinc/87/57/63/607875763.db2.gz FIXJABJMLXIEMW-INIZCTEOSA-N -1 3 368.437 3.117 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1OC[C@@H](O)c1ccccc1C(F)(F)F ZINC000826279349 607877188 /nfs/dbraw/zinc/87/71/88/607877188.db2.gz NWIXRFYBGQHUGV-CQSZACIVSA-N -1 3 364.327 3.306 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1OC[C@@H](O)c1ccccc1C(F)(F)F ZINC000826279349 607877189 /nfs/dbraw/zinc/87/71/89/607877189.db2.gz NWIXRFYBGQHUGV-CQSZACIVSA-N -1 3 364.327 3.306 20 0 FGADHM CCN(C(=O)[C@@H](C)Oc1ccccc1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825362711 607878829 /nfs/dbraw/zinc/87/88/29/607878829.db2.gz QNMFZJWXIVXGHY-GFCCVEGCSA-N -1 3 371.828 3.341 20 0 FGADHM CCN(C(=O)[C@@H](C)Oc1ccccc1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825362711 607878830 /nfs/dbraw/zinc/87/88/30/607878830.db2.gz QNMFZJWXIVXGHY-GFCCVEGCSA-N -1 3 371.828 3.341 20 0 FGADHM COCC(C)(C)C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826147607 607893920 /nfs/dbraw/zinc/89/39/20/607893920.db2.gz DDZFNLLYVFPJHS-UHFFFAOYSA-N -1 3 367.409 3.270 20 0 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CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)[C@H](C)c1cccs1 ZINC000825787499 608176852 /nfs/dbraw/zinc/17/68/52/608176852.db2.gz GPUSENGKNDJDNB-SNVBAGLBSA-N -1 3 367.438 3.040 20 0 FGADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)C(C)(C)C1CCCC1 ZINC000825788461 608177124 /nfs/dbraw/zinc/17/71/24/608177124.db2.gz RFWUOAJPRUGYQU-UHFFFAOYSA-N -1 3 367.457 3.391 20 0 FGADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)C(C)(C)C1CCCC1 ZINC000825788461 608177126 /nfs/dbraw/zinc/17/71/26/608177126.db2.gz RFWUOAJPRUGYQU-UHFFFAOYSA-N -1 3 367.457 3.391 20 0 FGADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)[C@H](C)C1CCCC1 ZINC000825787969 608177492 /nfs/dbraw/zinc/17/74/92/608177492.db2.gz MJWAJQSHIXHOGS-LLVKDONJSA-N -1 3 353.430 3.001 20 0 FGADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)[C@H](C)C1CCCC1 ZINC000825787969 608177493 /nfs/dbraw/zinc/17/74/93/608177493.db2.gz MJWAJQSHIXHOGS-LLVKDONJSA-N -1 3 353.430 3.001 20 0 FGADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)c1cc(C)sc1C ZINC000825792609 608179014 /nfs/dbraw/zinc/17/90/14/608179014.db2.gz BKVXBLSXVCQAFU-UHFFFAOYSA-N -1 3 367.438 3.167 20 0 FGADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)c1cc(C)sc1C ZINC000825792609 608179015 /nfs/dbraw/zinc/17/90/15/608179015.db2.gz BKVXBLSXVCQAFU-UHFFFAOYSA-N -1 3 367.438 3.167 20 0 FGADHM CC[C@@H](Oc1ccccc1F)C(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000825160174 608184085 /nfs/dbraw/zinc/18/40/85/608184085.db2.gz XYZBZHYFNYIWCT-MLGOLLRUSA-N -1 3 370.384 3.468 20 0 FGADHM CC[C@@H](Oc1ccccc1F)C(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000825160174 608184086 /nfs/dbraw/zinc/18/40/86/608184086.db2.gz XYZBZHYFNYIWCT-MLGOLLRUSA-N -1 3 370.384 3.468 20 0 FGADHM C[C@H](Cc1ncc[nH]1)OCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000824465250 608197857 /nfs/dbraw/zinc/19/78/57/608197857.db2.gz NBUWLOPVNXCLMX-CQSZACIVSA-N -1 3 360.421 3.405 20 0 FGADHM CSc1nc(C2CC2)cc(C(=O)N[C@H](C)C2CCCC2)c1-c1nnn[n-]1 ZINC000826231691 608200083 /nfs/dbraw/zinc/20/00/83/608200083.db2.gz VVVCLIQBCXIXFF-SNVBAGLBSA-N -1 3 372.498 3.170 20 0 FGADHM C[C@H](Sc1cccc(Cl)c1-c1nnn[n-]1)C(=O)N1CCCCCC1 ZINC000824753968 608207198 /nfs/dbraw/zinc/20/71/98/608207198.db2.gz GWHSGJBODIHYKV-NSHDSACASA-N -1 3 365.890 3.403 20 0 FGADHM C[C@H](Sc1cccc(Cl)c1-c1nn[n-]n1)C(=O)N1CCCCCC1 ZINC000824753968 608207200 /nfs/dbraw/zinc/20/72/00/608207200.db2.gz GWHSGJBODIHYKV-NSHDSACASA-N -1 3 365.890 3.403 20 0 FGADHM C[C@@H](Sc1cccc(Cl)c1-c1nnn[n-]1)C(=O)N1CCC(C)CC1 ZINC000824948747 608207277 /nfs/dbraw/zinc/20/72/77/608207277.db2.gz VQHNUCYBUZZCBG-LLVKDONJSA-N -1 3 365.890 3.259 20 0 FGADHM C[C@@H](Sc1cccc(Cl)c1-c1nn[n-]n1)C(=O)N1CCC(C)CC1 ZINC000824948747 608207279 /nfs/dbraw/zinc/20/72/79/608207279.db2.gz VQHNUCYBUZZCBG-LLVKDONJSA-N -1 3 365.890 3.259 20 0 FGADHM Fc1cccc(NCCSCc2ccnc(Cl)c2)c1-c1nnn[n-]1 ZINC000826377534 608212560 /nfs/dbraw/zinc/21/25/60/608212560.db2.gz WDDCSZHMSYXNCM-UHFFFAOYSA-N -1 3 364.837 3.400 20 0 FGADHM Fc1cccc(NCCSCc2ccnc(Cl)c2)c1-c1nn[n-]n1 ZINC000826377534 608212561 /nfs/dbraw/zinc/21/25/61/608212561.db2.gz WDDCSZHMSYXNCM-UHFFFAOYSA-N -1 3 364.837 3.400 20 0 FGADHM Cc1nc(C)c(-c2nnn[n-]2)c(SCc2cccc(F)c2Cl)n1 ZINC000826324424 608218619 /nfs/dbraw/zinc/21/86/19/608218619.db2.gz QDVTWZDVPYLLLU-UHFFFAOYSA-N -1 3 350.810 3.358 20 0 FGADHM Cc1nc(C)c(-c2nn[n-]n2)c(SCc2cccc(F)c2Cl)n1 ZINC000826324424 608218621 /nfs/dbraw/zinc/21/86/21/608218621.db2.gz QDVTWZDVPYLLLU-UHFFFAOYSA-N -1 3 350.810 3.358 20 0 FGADHM CCCO[C@@H]1CCCN(c2ccc3cc(-c4nnn[n-]4)ccc3n2)CC1 ZINC000825339404 608226819 /nfs/dbraw/zinc/22/68/19/608226819.db2.gz ZDQVFGJKQITSCO-MRXNPFEDSA-N -1 3 352.442 3.200 20 0 FGADHM CCCO[C@@H]1CCCN(c2ccc3cc(-c4nn[n-]n4)ccc3n2)CC1 ZINC000825339404 608226820 /nfs/dbraw/zinc/22/68/20/608226820.db2.gz ZDQVFGJKQITSCO-MRXNPFEDSA-N -1 3 352.442 3.200 20 0 FGADHM Cc1cc(C)n([C@H]2CCCN(c3ccc4cc(-c5nnn[n-]5)ccc4n3)C2)n1 ZINC000826265159 608227299 /nfs/dbraw/zinc/22/72/99/608227299.db2.gz NXYWSFOGUQVCFD-KRWDZBQOSA-N -1 3 374.452 3.070 20 0 FGADHM Cc1cc(C)n([C@H]2CCCN(c3ccc4cc(-c5nn[n-]n5)ccc4n3)C2)n1 ZINC000826265159 608227301 /nfs/dbraw/zinc/22/73/01/608227301.db2.gz NXYWSFOGUQVCFD-KRWDZBQOSA-N -1 3 374.452 3.070 20 0 FGADHM C[C@H](NC(=O)C=Cc1ccc2[nH]ccc2c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824479418 608228152 /nfs/dbraw/zinc/22/81/52/608228152.db2.gz NEJQRMJVNZNKCN-FOWFJEMPSA-N -1 3 358.405 3.239 20 0 FGADHM C[C@H](NC(=O)C=Cc1ccc2[nH]ccc2c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824479418 608228153 /nfs/dbraw/zinc/22/81/53/608228153.db2.gz NEJQRMJVNZNKCN-FOWFJEMPSA-N -1 3 358.405 3.239 20 0 FGADHM CC1(C)[C@H](Nc2ccc3cc(-c4nnn[n-]4)ccc3n2)[C@H]2CCCO[C@H]21 ZINC000824790763 608229403 /nfs/dbraw/zinc/22/94/03/608229403.db2.gz QIQOZMKIRDSXJR-KBRIMQKVSA-N -1 3 350.426 3.030 20 0 FGADHM CC1(C)[C@H](Nc2ccc3cc(-c4nn[n-]n4)ccc3n2)[C@H]2CCCO[C@H]21 ZINC000824790763 608229404 /nfs/dbraw/zinc/22/94/04/608229404.db2.gz QIQOZMKIRDSXJR-KBRIMQKVSA-N -1 3 350.426 3.030 20 0 FGADHM CSc1cc(CNc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)ccn1 ZINC000826230126 608241495 /nfs/dbraw/zinc/24/14/95/608241495.db2.gz FNDKUQOOLZOBDJ-UHFFFAOYSA-N -1 3 367.360 3.010 20 0 FGADHM CSc1cc(CNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)ccn1 ZINC000826230126 608241496 /nfs/dbraw/zinc/24/14/96/608241496.db2.gz FNDKUQOOLZOBDJ-UHFFFAOYSA-N -1 3 367.360 3.010 20 0 FGADHM C[C@@H](OC(=O)C(F)(F)c1ccccc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000824707125 608246368 /nfs/dbraw/zinc/24/63/68/608246368.db2.gz NVKNFBLRMIJUFU-SNVBAGLBSA-N -1 3 362.311 3.402 20 0 FGADHM C[C@@H](OC(=O)C(F)(F)c1ccccc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000824707125 608246370 /nfs/dbraw/zinc/24/63/70/608246370.db2.gz NVKNFBLRMIJUFU-SNVBAGLBSA-N -1 3 362.311 3.402 20 0 FGADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N1CCCc2cc(C(C)(C)C)ccc21 ZINC000826357488 608252184 /nfs/dbraw/zinc/25/21/84/608252184.db2.gz HPDOKMPKLXVQSQ-UHFFFAOYSA-N -1 3 364.453 3.096 20 0 FGADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N1CCCc2cc(C(C)(C)C)ccc21 ZINC000826357488 608252186 /nfs/dbraw/zinc/25/21/86/608252186.db2.gz HPDOKMPKLXVQSQ-UHFFFAOYSA-N -1 3 364.453 3.096 20 0 FGADHM O=C(C=Cc1ccc2[nH]ccc2c1)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826401288 608252885 /nfs/dbraw/zinc/25/28/85/608252885.db2.gz USQYTMWLFJPIAC-UTCJRWHESA-N -1 3 363.352 3.244 20 0 FGADHM O=C(C=Cc1ccc2[nH]ccc2c1)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826401288 608252887 /nfs/dbraw/zinc/25/28/87/608252887.db2.gz USQYTMWLFJPIAC-UTCJRWHESA-N -1 3 363.352 3.244 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)[C@@H](c1ccccc1)C1CC1 ZINC000826465601 608254324 /nfs/dbraw/zinc/25/43/24/608254324.db2.gz ULNDGXRPNILJBP-KRWDZBQOSA-N -1 3 352.369 3.243 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)[C@@H](c1ccccc1)C1CC1 ZINC000826465601 608254325 /nfs/dbraw/zinc/25/43/25/608254325.db2.gz ULNDGXRPNILJBP-KRWDZBQOSA-N -1 3 352.369 3.243 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1COc1ccccc1Br ZINC000826173258 608260502 /nfs/dbraw/zinc/26/05/02/608260502.db2.gz VIWRWZLLDJMZKT-UHFFFAOYSA-N -1 3 361.199 3.217 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1COc1ccccc1Br ZINC000826173258 608260504 /nfs/dbraw/zinc/26/05/04/608260504.db2.gz VIWRWZLLDJMZKT-UHFFFAOYSA-N -1 3 361.199 3.217 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1CSc1nccn1-c1ccccc1 ZINC000826173522 608264490 /nfs/dbraw/zinc/26/44/90/608264490.db2.gz HSVANNVIHGIVKE-UHFFFAOYSA-N -1 3 364.434 3.353 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1CSc1nccn1-c1ccccc1 ZINC000826173522 608264491 /nfs/dbraw/zinc/26/44/91/608264491.db2.gz HSVANNVIHGIVKE-UHFFFAOYSA-N -1 3 364.434 3.353 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)c(NC[C@H]2CCCO[C@@H]2c2ccccc2)n1 ZINC000826276244 608278912 /nfs/dbraw/zinc/27/89/12/608278912.db2.gz YKURSLFFLMBDGY-NVXWUHKLSA-N -1 3 350.426 3.150 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)c(NC[C@H]2CCCO[C@@H]2c2ccccc2)n1 ZINC000826276244 608278913 /nfs/dbraw/zinc/27/89/13/608278913.db2.gz YKURSLFFLMBDGY-NVXWUHKLSA-N -1 3 350.426 3.150 20 0 FGADHM COc1ccc(CNc2nc(C)ccc2-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826204572 608281973 /nfs/dbraw/zinc/28/19/73/608281973.db2.gz QHBNPWOUZFEICY-UHFFFAOYSA-N -1 3 364.331 3.210 20 0 FGADHM COc1ccc(CNc2nc(C)ccc2-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826204572 608281974 /nfs/dbraw/zinc/28/19/74/608281974.db2.gz QHBNPWOUZFEICY-UHFFFAOYSA-N -1 3 364.331 3.210 20 0 FGADHM CCS[C@H]1CCCCN(c2nc3c(cc2-c2nnn[n-]2)CCCC3)C1 ZINC000825668497 608285998 /nfs/dbraw/zinc/28/59/98/608285998.db2.gz GBPXQCAUHYFTSB-AWEZNQCLSA-N -1 3 358.515 3.253 20 0 FGADHM CCS[C@H]1CCCCN(c2nc3c(cc2-c2nn[n-]n2)CCCC3)C1 ZINC000825668497 608285999 /nfs/dbraw/zinc/28/59/99/608285999.db2.gz GBPXQCAUHYFTSB-AWEZNQCLSA-N -1 3 358.515 3.253 20 0 FGADHM CC(C)CNC(=S)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000824266945 608289107 /nfs/dbraw/zinc/28/91/07/608289107.db2.gz UGYBOVWAYVIRES-UHFFFAOYSA-N -1 3 366.494 3.154 20 0 FGADHM CC(C)CNC(=S)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000824266945 608289110 /nfs/dbraw/zinc/28/91/10/608289110.db2.gz UGYBOVWAYVIRES-UHFFFAOYSA-N -1 3 366.494 3.154 20 0 FGADHM Cc1ccc(CNc2nc(C)ccc2-c2nnn[n-]2)c(OCC2CC2)c1 ZINC000826288330 608295550 /nfs/dbraw/zinc/29/55/50/608295550.db2.gz BMZPHOOZWWIXBL-UHFFFAOYSA-N -1 3 350.426 3.279 20 0 FGADHM Cc1ccc(CNc2nc(C)ccc2-c2nn[n-]n2)c(OCC2CC2)c1 ZINC000826288330 608295552 /nfs/dbraw/zinc/29/55/52/608295552.db2.gz BMZPHOOZWWIXBL-UHFFFAOYSA-N -1 3 350.426 3.279 20 0 FGADHM CC(C)c1ccc(C[C@H](C)NC(=O)c2cc(-c3nnn[n-]3)cs2)cc1 ZINC000824457481 608314533 /nfs/dbraw/zinc/31/45/33/608314533.db2.gz NRDCZLVYMOCODY-LBPRGKRZSA-N -1 3 355.467 3.413 20 0 FGADHM CC(C)c1ccc(C[C@H](C)NC(=O)c2cc(-c3nn[n-]n3)cs2)cc1 ZINC000824457481 608314535 /nfs/dbraw/zinc/31/45/35/608314535.db2.gz NRDCZLVYMOCODY-LBPRGKRZSA-N -1 3 355.467 3.413 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1CNc1cc(-c2ncco2)ccc1C ZINC000826170554 608320749 /nfs/dbraw/zinc/32/07/49/608320749.db2.gz FIRCZBZEBFAATG-UHFFFAOYSA-N -1 3 362.393 3.451 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1CNc1cc(-c2ncco2)ccc1C ZINC000826170554 608320751 /nfs/dbraw/zinc/32/07/51/608320751.db2.gz FIRCZBZEBFAATG-UHFFFAOYSA-N -1 3 362.393 3.451 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)c1cccc(F)c1Cl ZINC000826172559 608362199 /nfs/dbraw/zinc/36/21/99/608362199.db2.gz MTEQGLDPEAJCFY-UHFFFAOYSA-N -1 3 362.748 3.025 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)c1cccc(F)c1Cl ZINC000826172559 608362200 /nfs/dbraw/zinc/36/22/00/608362200.db2.gz MTEQGLDPEAJCFY-UHFFFAOYSA-N -1 3 362.748 3.025 20 0 FGADHM CCCCCCNC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000825271713 608389493 /nfs/dbraw/zinc/38/94/93/608389493.db2.gz MSGUEPRRJRUWAH-UHFFFAOYSA-N -1 3 354.458 3.246 20 0 FGADHM CCCCCCNC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825271713 608389495 /nfs/dbraw/zinc/38/94/95/608389495.db2.gz MSGUEPRRJRUWAH-UHFFFAOYSA-N -1 3 354.458 3.246 20 0 FGADHM Cc1nc(CCSc2nc3c(cc2-c2nnn[n-]2)CCCC3)cs1 ZINC000826325791 608395353 /nfs/dbraw/zinc/39/53/53/608395353.db2.gz LTXXGWORTDCISU-UHFFFAOYSA-N -1 3 358.496 3.240 20 0 FGADHM Cc1nc(CCSc2nc3c(cc2-c2nn[n-]n2)CCCC3)cs1 ZINC000826325791 608395355 /nfs/dbraw/zinc/39/53/55/608395355.db2.gz LTXXGWORTDCISU-UHFFFAOYSA-N -1 3 358.496 3.240 20 0 FGADHM Cc1ccc2[nH]c3c(c2c1)CN(Cc1cccc(-c2nnn[n-]2)c1F)CC3 ZINC000826293458 608403925 /nfs/dbraw/zinc/40/39/25/608403925.db2.gz PXCJWEQHHKGNLK-UHFFFAOYSA-N -1 3 362.412 3.354 20 0 FGADHM Cc1ccc2[nH]c3c(c2c1)CN(Cc1cccc(-c2nn[n-]n2)c1F)CC3 ZINC000826293458 608403926 /nfs/dbraw/zinc/40/39/26/608403926.db2.gz PXCJWEQHHKGNLK-UHFFFAOYSA-N -1 3 362.412 3.354 20 0 FGADHM CC[C@@H](NCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)c1ccccc1 ZINC000825149377 608430413 /nfs/dbraw/zinc/43/04/13/608430413.db2.gz XOATZEMQCYATJU-MRXNPFEDSA-N -1 3 361.409 3.158 20 0 FGADHM CC[C@@H](NCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)c1ccccc1 ZINC000825149377 608430415 /nfs/dbraw/zinc/43/04/15/608430415.db2.gz XOATZEMQCYATJU-MRXNPFEDSA-N -1 3 361.409 3.158 20 0 FGADHM c1cc2ncnc(N3CC=C(c4ccc(-c5nnn[n-]5)cc4)CC3)c2s1 ZINC000823868346 608441331 /nfs/dbraw/zinc/44/13/31/608441331.db2.gz XHCRUVOKSHKNNH-UHFFFAOYSA-N -1 3 361.434 3.165 20 0 FGADHM c1cc2ncnc(N3CC=C(c4ccc(-c5nn[n-]n5)cc4)CC3)c2s1 ZINC000823868346 608441333 /nfs/dbraw/zinc/44/13/33/608441333.db2.gz XHCRUVOKSHKNNH-UHFFFAOYSA-N -1 3 361.434 3.165 20 0 FGADHM COc1cccc(C(C)=CC(=O)OCc2cccc(-c3nnn[n-]3)c2F)c1 ZINC000826214423 608451293 /nfs/dbraw/zinc/45/12/93/608451293.db2.gz LREANKHAVBYVBQ-XFXZXTDPSA-N -1 3 368.368 3.161 20 0 FGADHM COc1cccc(C(C)=CC(=O)OCc2cccc(-c3nn[n-]n3)c2F)c1 ZINC000826214423 608451294 /nfs/dbraw/zinc/45/12/94/608451294.db2.gz LREANKHAVBYVBQ-XFXZXTDPSA-N -1 3 368.368 3.161 20 0 FGADHM CC[C@@H](OC1CCCCC1)C(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000825154523 608452895 /nfs/dbraw/zinc/45/28/95/608452895.db2.gz PXXQHNIZNQMBGN-OAHLLOKOSA-N -1 3 362.405 3.177 20 0 FGADHM CC[C@@H](OC1CCCCC1)C(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000825154523 608452896 /nfs/dbraw/zinc/45/28/96/608452896.db2.gz PXXQHNIZNQMBGN-OAHLLOKOSA-N -1 3 362.405 3.177 20 0 FGADHM Cc1c(NC(=O)c2ccccc2OC(F)(F)F)cccc1-c1nnn[n-]1 ZINC000826242464 608469677 /nfs/dbraw/zinc/46/96/77/608469677.db2.gz PYWYJJQPFCPTSZ-UHFFFAOYSA-N -1 3 363.299 3.326 20 0 FGADHM Cc1c(NC(=O)c2ccccc2OC(F)(F)F)cccc1-c1nn[n-]n1 ZINC000826242464 608469679 /nfs/dbraw/zinc/46/96/79/608469679.db2.gz PYWYJJQPFCPTSZ-UHFFFAOYSA-N -1 3 363.299 3.326 20 0 FGADHM C[C@@H](OC(=O)c1cnn(C)c1-c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824723072 608474301 /nfs/dbraw/zinc/47/43/01/608474301.db2.gz MKTJTKJXAFTFIE-CYBMUJFWSA-N -1 3 374.404 3.185 20 0 FGADHM C[C@@H](OC(=O)c1cnn(C)c1-c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824723072 608474303 /nfs/dbraw/zinc/47/43/03/608474303.db2.gz MKTJTKJXAFTFIE-CYBMUJFWSA-N -1 3 374.404 3.185 20 0 FGADHM C[C@@H](Cc1ccccc1)C(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824457389 608481743 /nfs/dbraw/zinc/48/17/43/608481743.db2.gz KYOGXNYRAOSMPK-INIZCTEOSA-N -1 3 373.460 3.361 20 0 FGADHM C[C@@H](Cc1ccccc1)C(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824457389 608481744 /nfs/dbraw/zinc/48/17/44/608481744.db2.gz KYOGXNYRAOSMPK-INIZCTEOSA-N -1 3 373.460 3.361 20 0 FGADHM Cc1ccc(C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c(C)c1 ZINC000826282082 608488641 /nfs/dbraw/zinc/48/86/41/608488641.db2.gz XKESQNKILBNRQP-UHFFFAOYSA-N -1 3 359.433 3.413 20 0 FGADHM Cc1ccc(C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c(C)c1 ZINC000826282082 608488643 /nfs/dbraw/zinc/48/86/43/608488643.db2.gz XKESQNKILBNRQP-UHFFFAOYSA-N -1 3 359.433 3.413 20 0 FGADHM Fc1cccc(Cl)c1OCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000826377604 608546723 /nfs/dbraw/zinc/54/67/23/608546723.db2.gz YMNNDCKBJUZPPM-UHFFFAOYSA-N -1 3 372.747 3.288 20 0 FGADHM Fc1cccc(Cl)c1OCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000826377604 608546725 /nfs/dbraw/zinc/54/67/25/608546725.db2.gz YMNNDCKBJUZPPM-UHFFFAOYSA-N -1 3 372.747 3.288 20 0 FGADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1OC(F)(F)F ZINC000826468542 608546983 /nfs/dbraw/zinc/54/69/83/608546983.db2.gz WLKCBTRXTJGLGZ-UHFFFAOYSA-N -1 3 368.246 3.124 20 0 FGADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1OC(F)(F)F ZINC000826468542 608546985 /nfs/dbraw/zinc/54/69/85/608546985.db2.gz WLKCBTRXTJGLGZ-UHFFFAOYSA-N -1 3 368.246 3.124 20 0 FGADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1ccc(-c2ccc[nH]2)cc1 ZINC000824757672 608559678 /nfs/dbraw/zinc/55/96/78/608559678.db2.gz ZYJPSGWRUNFZSK-ZDUSSCGKSA-N -1 3 374.404 3.268 20 0 FGADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1ccc(-c2ccc[nH]2)cc1 ZINC000824757672 608559680 /nfs/dbraw/zinc/55/96/80/608559680.db2.gz ZYJPSGWRUNFZSK-ZDUSSCGKSA-N -1 3 374.404 3.268 20 0 FGADHM O=C(N[C@@H]1CCCc2ccccc21)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826430786 608573909 /nfs/dbraw/zinc/57/39/09/608573909.db2.gz KORLLLLVVYPKMG-MRXNPFEDSA-N -1 3 353.813 3.328 20 0 FGADHM O=C(N[C@@H]1CCCc2ccccc21)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826430786 608573910 /nfs/dbraw/zinc/57/39/10/608573910.db2.gz KORLLLLVVYPKMG-MRXNPFEDSA-N -1 3 353.813 3.328 20 0 FGADHM O=C(NCc1nc2ccccc2s1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826443729 608574044 /nfs/dbraw/zinc/57/40/44/608574044.db2.gz AOVUECCGKQIDER-UHFFFAOYSA-N -1 3 370.825 3.060 20 0 FGADHM O=C(NCc1nc2ccccc2s1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826443729 608574045 /nfs/dbraw/zinc/57/40/45/608574045.db2.gz AOVUECCGKQIDER-UHFFFAOYSA-N -1 3 370.825 3.060 20 0 FGADHM COc1ccc([C@H](C)N(C)C(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)cc1 ZINC000826188097 608575023 /nfs/dbraw/zinc/57/50/23/608575023.db2.gz NMHPKVBCPVYVIU-NSHDSACASA-N -1 3 371.828 3.362 20 0 FGADHM COc1ccc([C@H](C)N(C)C(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)cc1 ZINC000826188097 608575025 /nfs/dbraw/zinc/57/50/25/608575025.db2.gz NMHPKVBCPVYVIU-NSHDSACASA-N -1 3 371.828 3.362 20 0 FGADHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1[C@H]1CCCc2ccccc21 ZINC000826334670 608584417 /nfs/dbraw/zinc/58/44/17/608584417.db2.gz DTYBVMKXAHQRPG-SFHVURJKSA-N -1 3 357.421 3.359 20 0 FGADHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1[C@H]1CCCc2ccccc21 ZINC000826334670 608584418 /nfs/dbraw/zinc/58/44/18/608584418.db2.gz DTYBVMKXAHQRPG-SFHVURJKSA-N -1 3 357.421 3.359 20 0 FGADHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(NCc3ccc(Cl)cn3)c2c1 ZINC000826263715 608585714 /nfs/dbraw/zinc/58/57/14/608585714.db2.gz NDOCGJYVVXEWCF-UHFFFAOYSA-N -1 3 365.828 3.114 20 0 FGADHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(NCc3ccc(Cl)cn3)c2c1 ZINC000826263715 608585715 /nfs/dbraw/zinc/58/57/15/608585715.db2.gz NDOCGJYVVXEWCF-UHFFFAOYSA-N -1 3 365.828 3.114 20 0 FGADHM Fc1c(CN2CCC[C@H]2c2ccc3c(c2)OCO3)cccc1-c1nnn[n-]1 ZINC000826370793 608649021 /nfs/dbraw/zinc/64/90/21/608649021.db2.gz HNAYMWKLGXZEPK-HNNXBMFYSA-N -1 3 367.384 3.072 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)N[C@H](C1CCCC1)C(F)(F)F ZINC000826454071 608661510 /nfs/dbraw/zinc/66/15/10/608661510.db2.gz IOBPPAFZKJJNEH-GFCCVEGCSA-N -1 3 372.326 3.248 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)N[C@H](C1CCCC1)C(F)(F)F ZINC000826454071 608661511 /nfs/dbraw/zinc/66/15/11/608661511.db2.gz IOBPPAFZKJJNEH-GFCCVEGCSA-N -1 3 372.326 3.248 20 0 FGADHM CC(=Cc1ccc(-c2nnn[n-]2)cc1F)c1nc(=O)c2ccsc2[nH]1 ZINC000823942729 608752612 /nfs/dbraw/zinc/75/26/12/608752612.db2.gz HUEPZNRMPGUKNQ-SOFGYWHQSA-N -1 3 354.370 3.277 20 0 FGADHM CC(=Cc1ccc(-c2nn[n-]n2)cc1F)c1nc(=O)c2ccsc2[nH]1 ZINC000823942729 608752614 /nfs/dbraw/zinc/75/26/14/608752614.db2.gz HUEPZNRMPGUKNQ-SOFGYWHQSA-N -1 3 354.370 3.277 20 0 FGADHM Clc1ccccc1OC[C@H]1CCCN(c2cnccc2-c2nnn[n-]2)C1 ZINC000826353802 608793826 /nfs/dbraw/zinc/79/38/26/608793826.db2.gz DQOFISSHMWOICQ-ZDUSSCGKSA-N -1 3 370.844 3.211 20 0 FGADHM Clc1ccccc1OC[C@H]1CCCN(c2cnccc2-c2nn[n-]n2)C1 ZINC000826353802 608793828 /nfs/dbraw/zinc/79/38/28/608793828.db2.gz DQOFISSHMWOICQ-ZDUSSCGKSA-N -1 3 370.844 3.211 20 0 FGADHM COc1cc(CNc2ccc(-c3nn[n-]n3)cc2)c(SC)cc1OC ZINC000826179559 608868798 /nfs/dbraw/zinc/86/87/98/608868798.db2.gz UMOMWEQZTOBNCW-UHFFFAOYSA-N -1 3 357.439 3.218 20 0 FGADHM C[C@](NC(=O)c1ccc(-c2nnn[n-]2)cc1)(c1ccccc1)C(F)(F)F ZINC000824513908 608873152 /nfs/dbraw/zinc/87/31/52/608873152.db2.gz JUGAXXYNONBBES-INIZCTEOSA-N -1 3 361.327 3.074 20 0 FGADHM C[C@](NC(=O)c1ccc(-c2nn[n-]n2)cc1)(c1ccccc1)C(F)(F)F ZINC000824513908 608873154 /nfs/dbraw/zinc/87/31/54/608873154.db2.gz JUGAXXYNONBBES-INIZCTEOSA-N -1 3 361.327 3.074 20 0 FGADHM Cc1ccc2[nH]cc(C(=O)OCc3ccc(F)c(-c4nnn[n-]4)c3)c2c1 ZINC000826293604 609133131 /nfs/dbraw/zinc/13/31/31/609133131.db2.gz VNYWBUKBNREXHN-UHFFFAOYSA-N -1 3 351.341 3.153 20 0 FGADHM Cc1ccc2[nH]cc(C(=O)OCc3ccc(F)c(-c4nn[n-]n4)c3)c2c1 ZINC000826293604 609133133 /nfs/dbraw/zinc/13/31/33/609133133.db2.gz VNYWBUKBNREXHN-UHFFFAOYSA-N -1 3 351.341 3.153 20 0 FGADHM O=C(c1sccc1-c1nnn[n-]1)N1CCC[C@@H]1/C=C\c1ccccc1 ZINC000826475577 609138855 /nfs/dbraw/zinc/13/88/55/609138855.db2.gz KGGMAYMCIZCKSH-QIAWRQBBSA-N -1 3 351.435 3.246 20 0 FGADHM O=C(c1sccc1-c1nn[n-]n1)N1CCC[C@@H]1/C=C\c1ccccc1 ZINC000826475577 609138857 /nfs/dbraw/zinc/13/88/57/609138857.db2.gz KGGMAYMCIZCKSH-QIAWRQBBSA-N -1 3 351.435 3.246 20 0 FGADHM C[C@H]1CC[C@H](C(F)(F)F)CN1C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000824906945 609158233 /nfs/dbraw/zinc/15/82/33/609158233.db2.gz FSRYMUKRYJVANT-IUCAKERBSA-N -1 3 372.326 3.201 20 0 FGADHM C[C@H]1CC[C@H](C(F)(F)F)CN1C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000824906945 609158234 /nfs/dbraw/zinc/15/82/34/609158234.db2.gz FSRYMUKRYJVANT-IUCAKERBSA-N -1 3 372.326 3.201 20 0 FGADHM Cc1c(NC(=O)N2C[C@H](C(F)(F)F)CC[C@@H]2C)cccc1-c1nnn[n-]1 ZINC000826241693 609159666 /nfs/dbraw/zinc/15/96/66/609159666.db2.gz LPJAYQKJUVMVME-GXSJLCMTSA-N -1 3 368.363 3.370 20 0 FGADHM Cc1c(NC(=O)N2C[C@H](C(F)(F)F)CC[C@@H]2C)cccc1-c1nn[n-]n1 ZINC000826241693 609159668 /nfs/dbraw/zinc/15/96/68/609159668.db2.gz LPJAYQKJUVMVME-GXSJLCMTSA-N -1 3 368.363 3.370 20 0 FGADHM C[C@H](Nc1cccc(N2CCCC2=O)c1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824662302 609162760 /nfs/dbraw/zinc/16/27/60/609162760.db2.gz IAIGNDJMFIDVMT-LBPRGKRZSA-N -1 3 366.400 3.306 20 0 FGADHM C[C@H](Nc1cccc(N2CCCC2=O)c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824662302 609162762 /nfs/dbraw/zinc/16/27/62/609162762.db2.gz IAIGNDJMFIDVMT-LBPRGKRZSA-N -1 3 366.400 3.306 20 0 FGADHM CSc1ccccc1CC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826230786 609163168 /nfs/dbraw/zinc/16/31/68/609163168.db2.gz KALGZNZSLYFSMH-LBPRGKRZSA-N -1 3 353.451 3.009 20 0 FGADHM CSc1ccccc1CC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826230786 609163169 /nfs/dbraw/zinc/16/31/69/609163169.db2.gz KALGZNZSLYFSMH-LBPRGKRZSA-N -1 3 353.451 3.009 20 0 FGADHM CC(C)C[C@@H]1C[C@@H](Nc2cc(-c3nnn[n-]3)c3ccccc3n2)CCO1 ZINC000824243583 609170849 /nfs/dbraw/zinc/17/08/49/609170849.db2.gz JNIPCYTZGPOMAZ-UONOGXRCSA-N -1 3 352.442 3.421 20 0 FGADHM CC(C)C[C@@H]1C[C@@H](Nc2cc(-c3nn[n-]n3)c3ccccc3n2)CCO1 ZINC000824243583 609170850 /nfs/dbraw/zinc/17/08/50/609170850.db2.gz JNIPCYTZGPOMAZ-UONOGXRCSA-N -1 3 352.442 3.421 20 0 FGADHM CC(C)(C)c1ccc([C@H]2CCCN2C(=O)c2c[nH]c(-c3nnn[n-]3)c2)cc1 ZINC000824136255 609197279 /nfs/dbraw/zinc/19/72/79/609197279.db2.gz OFZRWMKRFNBTFZ-QGZVFWFLSA-N -1 3 364.453 3.470 20 0 FGADHM CC(C)(C)c1ccc([C@H]2CCCN2C(=O)c2c[nH]c(-c3nn[n-]n3)c2)cc1 ZINC000824136255 609197280 /nfs/dbraw/zinc/19/72/80/609197280.db2.gz OFZRWMKRFNBTFZ-QGZVFWFLSA-N -1 3 364.453 3.470 20 0 FGADHM COCCOc1ccc(CNc2ccc(Cl)c(-c3nnn[n-]3)c2)cc1 ZINC000826162853 609199236 /nfs/dbraw/zinc/19/92/36/609199236.db2.gz VCOWRMURWNMHPF-UHFFFAOYSA-N -1 3 359.817 3.157 20 0 FGADHM COCCOc1ccc(CNc2ccc(Cl)c(-c3nn[n-]n3)c2)cc1 ZINC000826162853 609199238 /nfs/dbraw/zinc/19/92/38/609199238.db2.gz VCOWRMURWNMHPF-UHFFFAOYSA-N -1 3 359.817 3.157 20 0 FGADHM C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000824764545 609220904 /nfs/dbraw/zinc/22/09/04/609220904.db2.gz XEAVTPXFWLOHNB-QWRGUYRKSA-N -1 3 358.833 3.112 20 0 FGADHM C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000824764545 609220906 /nfs/dbraw/zinc/22/09/06/609220906.db2.gz XEAVTPXFWLOHNB-QWRGUYRKSA-N -1 3 358.833 3.112 20 0 FGADHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N1CCCC[C@H]1CCCc1ccccc1 ZINC000826469928 609229404 /nfs/dbraw/zinc/22/94/04/609229404.db2.gz WHKJYSVLKODJDE-KRWDZBQOSA-N -1 3 364.453 3.212 20 0 FGADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1CCCC[C@H]1CCCc1ccccc1 ZINC000826469928 609229405 /nfs/dbraw/zinc/22/94/05/609229405.db2.gz WHKJYSVLKODJDE-KRWDZBQOSA-N -1 3 364.453 3.212 20 0 FGADHM CCCN(CC(=O)Nc1sccc1-c1nnn[n-]1)Cc1ccc(C)cc1 ZINC000825308160 609233945 /nfs/dbraw/zinc/23/39/45/609233945.db2.gz WTKIEFIRVFGOHA-UHFFFAOYSA-N -1 3 370.482 3.087 20 0 FGADHM CCC[C@@H](C)[C@H](CC)Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1 ZINC000825232183 609240658 /nfs/dbraw/zinc/24/06/58/609240658.db2.gz DKLXFUXYJTZZLL-KDOFPFPSSA-N -1 3 372.517 3.455 20 0 FGADHM CCC[C@@H](C)[C@H](CC)Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1 ZINC000825232183 609240660 /nfs/dbraw/zinc/24/06/60/609240660.db2.gz DKLXFUXYJTZZLL-KDOFPFPSSA-N -1 3 372.517 3.455 20 0 FGADHM C[C@H]1CCC[C@H](C)C1Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1 ZINC000824926016 609242201 /nfs/dbraw/zinc/24/22/01/609242201.db2.gz IIYHQTHFLBLQFI-KBPBESRZSA-N -1 3 370.501 3.064 20 0 FGADHM C[C@H]1CCC[C@H](C)C1Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1 ZINC000824926016 609242202 /nfs/dbraw/zinc/24/22/02/609242202.db2.gz IIYHQTHFLBLQFI-KBPBESRZSA-N -1 3 370.501 3.064 20 0 FGADHM C[C@@H]1CCC[C@H](C)[C@H]1Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1 ZINC000824926015 609242296 /nfs/dbraw/zinc/24/22/96/609242296.db2.gz IIYHQTHFLBLQFI-BDQBCWGISA-N -1 3 370.501 3.064 20 0 FGADHM C[C@@H]1CCC[C@H](C)[C@H]1Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1 ZINC000824926015 609242297 /nfs/dbraw/zinc/24/22/97/609242297.db2.gz IIYHQTHFLBLQFI-BDQBCWGISA-N -1 3 370.501 3.064 20 0 FGADHM CSc1ccccc1CC(=O)OCc1ccc(-c2nnn[n-]2)cc1F ZINC000826230880 609243976 /nfs/dbraw/zinc/24/39/76/609243976.db2.gz NNKCDORUVXCXBA-UHFFFAOYSA-N -1 3 358.398 3.014 20 0 FGADHM CSc1ccccc1CC(=O)OCc1ccc(-c2nn[n-]n2)cc1F ZINC000826230880 609243977 /nfs/dbraw/zinc/24/39/77/609243977.db2.gz NNKCDORUVXCXBA-UHFFFAOYSA-N -1 3 358.398 3.014 20 0 FGADHM C[C@@H](Nc1cncc(Br)c1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824662486 609253067 /nfs/dbraw/zinc/25/30/67/609253067.db2.gz LLQZUSKTZXZZMB-MRVPVSSYSA-N -1 3 363.194 3.336 20 0 FGADHM C[C@@H](Nc1cncc(Br)c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824662486 609253068 /nfs/dbraw/zinc/25/30/68/609253068.db2.gz LLQZUSKTZXZZMB-MRVPVSSYSA-N -1 3 363.194 3.336 20 0 FGADHM COc1cc(N[C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)cc(OC)c1 ZINC000826180287 609267658 /nfs/dbraw/zinc/26/76/58/609267658.db2.gz AHJJAGKLZJBRKR-SFHVURJKSA-N -1 3 351.410 3.373 20 0 FGADHM COc1cc(N[C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)cc(OC)c1 ZINC000826180287 609267659 /nfs/dbraw/zinc/26/76/59/609267659.db2.gz AHJJAGKLZJBRKR-SFHVURJKSA-N -1 3 351.410 3.373 20 0 FGADHM C[C@H](Nc1ccc(N2CCCC2=O)c(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824655294 609278581 /nfs/dbraw/zinc/27/85/81/609278581.db2.gz BYSPGBQSPGBLQD-LBPRGKRZSA-N -1 3 366.400 3.306 20 0 FGADHM C[C@H](Nc1ccc(N2CCCC2=O)c(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824655294 609278583 /nfs/dbraw/zinc/27/85/83/609278583.db2.gz BYSPGBQSPGBLQD-LBPRGKRZSA-N -1 3 366.400 3.306 20 0 FGADHM CN(Cc1ccc(F)c(-c2nnn[n-]2)c1)Cc1cc(F)c(F)c(F)c1 ZINC000825954108 609282938 /nfs/dbraw/zinc/28/29/38/609282938.db2.gz VXNRFNKVGBVIAG-UHFFFAOYSA-N -1 3 351.307 3.055 20 0 FGADHM Cc1cc(OCC(=O)Nc2cccc(-c3nnn[n-]3)c2)c2cccc(C)c2n1 ZINC000826272021 609283125 /nfs/dbraw/zinc/28/31/25/609283125.db2.gz RGJYJOLVAVVLMH-UHFFFAOYSA-N -1 3 374.404 3.049 20 0 FGADHM Cc1cc(OCC(=O)Nc2cccc(-c3nn[n-]n3)c2)c2cccc(C)c2n1 ZINC000826272021 609283127 /nfs/dbraw/zinc/28/31/27/609283127.db2.gz RGJYJOLVAVVLMH-UHFFFAOYSA-N -1 3 374.404 3.049 20 0 FGADHM CC1(C(=O)N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)CCCCCC1 ZINC000824783952 609283602 /nfs/dbraw/zinc/28/36/02/609283602.db2.gz LEPKGQDGWLFFBL-KRWDZBQOSA-N -1 3 369.469 3.127 20 0 FGADHM CC1(C(=O)N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)CCCCCC1 ZINC000824783952 609283603 /nfs/dbraw/zinc/28/36/03/609283603.db2.gz LEPKGQDGWLFFBL-KRWDZBQOSA-N -1 3 369.469 3.127 20 0 FGADHM O=C(NCc1ccc(F)c(Cl)c1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826441909 609290999 /nfs/dbraw/zinc/29/09/99/609290999.db2.gz AYLZKYXLLBSNNW-UHFFFAOYSA-N -1 3 366.183 3.243 20 0 FGADHM O=C(NCc1ccc(F)c(Cl)c1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826441909 609291000 /nfs/dbraw/zinc/29/10/00/609291000.db2.gz AYLZKYXLLBSNNW-UHFFFAOYSA-N -1 3 366.183 3.243 20 0 FGADHM O=C(c1ccc(Cl)c(-c2nnn[n-]2)c1)N1CCc2c(Cl)cccc2C1 ZINC000826473248 609300630 /nfs/dbraw/zinc/30/06/30/609300630.db2.gz QABAMONCZWOIBM-UHFFFAOYSA-N -1 3 374.231 3.372 20 0 FGADHM O=C(c1ccc(Cl)c(-c2nn[n-]n2)c1)N1CCc2c(Cl)cccc2C1 ZINC000826473248 609300632 /nfs/dbraw/zinc/30/06/32/609300632.db2.gz QABAMONCZWOIBM-UHFFFAOYSA-N -1 3 374.231 3.372 20 0 FGADHM CC[C@H](C)n1nc(C(=O)Nc2sc(C)c(C)c2-c2nnn[n-]2)cc1C ZINC000825082163 609303630 /nfs/dbraw/zinc/30/36/30/609303630.db2.gz QUNHYUITDAQTBG-QMMMGPOBSA-N -1 3 359.459 3.273 20 0 FGADHM CC[C@H](C)n1nc(C(=O)Nc2sc(C)c(C)c2-c2nn[n-]n2)cc1C ZINC000825082163 609303631 /nfs/dbraw/zinc/30/36/31/609303631.db2.gz QUNHYUITDAQTBG-QMMMGPOBSA-N -1 3 359.459 3.273 20 0 FGADHM Cc1nnc(SCc2nc3ccccc3s2)c(-c2nnn[n-]2)c1C ZINC000826337643 609306283 /nfs/dbraw/zinc/30/62/83/609306283.db2.gz VRAYSDMAAMTYCO-UHFFFAOYSA-N -1 3 355.452 3.176 20 0 FGADHM Cc1nnc(SCc2nc3ccccc3s2)c(-c2nn[n-]n2)c1C ZINC000826337643 609306285 /nfs/dbraw/zinc/30/62/85/609306285.db2.gz VRAYSDMAAMTYCO-UHFFFAOYSA-N -1 3 355.452 3.176 20 0 FGADHM Cc1nnc(SCCOc2ccc(Cl)cc2)c(-c2nnn[n-]2)c1C ZINC000826336809 609307223 /nfs/dbraw/zinc/30/72/23/609307223.db2.gz OOSKMKHBKRAKHU-UHFFFAOYSA-N -1 3 362.846 3.098 20 0 FGADHM Cc1nnc(SCCOc2ccc(Cl)cc2)c(-c2nn[n-]n2)c1C ZINC000826336809 609307225 /nfs/dbraw/zinc/30/72/25/609307225.db2.gz OOSKMKHBKRAKHU-UHFFFAOYSA-N -1 3 362.846 3.098 20 0 FGADHM N#CN(Cc1ccc(-c2nnn[n-]2)cc1Br)c1ccccc1 ZINC000826382448 609311257 /nfs/dbraw/zinc/31/12/57/609311257.db2.gz FMPYXQZXHMRZDV-UHFFFAOYSA-N -1 3 355.199 3.117 20 0 FGADHM N#CN(Cc1ccc(-c2nn[n-]n2)cc1Br)c1ccccc1 ZINC000826382448 609311259 /nfs/dbraw/zinc/31/12/59/609311259.db2.gz FMPYXQZXHMRZDV-UHFFFAOYSA-N -1 3 355.199 3.117 20 0 FGADHM Cc1ccc(CNc2c(Cl)cccc2-c2nnn[n-]2)c(N2CCCC2)n1 ZINC000826288751 609313421 /nfs/dbraw/zinc/31/34/21/609313421.db2.gz VBZZCZZKNDBAKA-UHFFFAOYSA-N -1 3 369.860 3.436 20 0 FGADHM Cc1ccc(CNc2c(Cl)cccc2-c2nn[n-]n2)c(N2CCCC2)n1 ZINC000826288751 609313423 /nfs/dbraw/zinc/31/34/23/609313423.db2.gz VBZZCZZKNDBAKA-UHFFFAOYSA-N -1 3 369.860 3.436 20 0 FGADHM CCC(CC)[C@@H]1C[C@@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)CCO1 ZINC000825106623 609322087 /nfs/dbraw/zinc/32/20/87/609322087.db2.gz GSVIPXHBDZQOPX-JSGCOSHPSA-N -1 3 350.854 3.311 20 0 FGADHM CCC(CC)[C@@H]1C[C@@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)CCO1 ZINC000825106623 609322090 /nfs/dbraw/zinc/32/20/90/609322090.db2.gz GSVIPXHBDZQOPX-JSGCOSHPSA-N -1 3 350.854 3.311 20 0 FGADHM COc1ccc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2F)c(OC)c1OC ZINC000826210664 609348401 /nfs/dbraw/zinc/34/84/01/609348401.db2.gz ZRMXFRBUIIBYKS-SNVBAGLBSA-N -1 3 373.388 3.205 20 0 FGADHM COc1ccc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2F)c(OC)c1OC ZINC000826210664 609348403 /nfs/dbraw/zinc/34/84/03/609348403.db2.gz ZRMXFRBUIIBYKS-SNVBAGLBSA-N -1 3 373.388 3.205 20 0 FGADHM O=C(CCC1CCC1)OCc1ccc(-c2nnn[n-]2)cc1Br ZINC000826405924 609348874 /nfs/dbraw/zinc/34/88/74/609348874.db2.gz ZPKPRLRLRCZHIS-UHFFFAOYSA-N -1 3 365.231 3.253 20 0 FGADHM O=C(CCC1CCC1)OCc1ccc(-c2nn[n-]n2)cc1Br ZINC000826405924 609348876 /nfs/dbraw/zinc/34/88/76/609348876.db2.gz ZPKPRLRLRCZHIS-UHFFFAOYSA-N -1 3 365.231 3.253 20 0 FGADHM C[C@H](Nc1cccc(C(=O)NC2CC2)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824662651 609348889 /nfs/dbraw/zinc/34/88/89/609348889.db2.gz OYTJMNAMRZYOKB-NSHDSACASA-N -1 3 366.400 3.071 20 0 FGADHM C[C@H](Nc1cccc(C(=O)NC2CC2)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824662651 609348891 /nfs/dbraw/zinc/34/88/91/609348891.db2.gz OYTJMNAMRZYOKB-NSHDSACASA-N -1 3 366.400 3.071 20 0 FGADHM CC(C)S[C@@H]1CCCC[C@@H]1OC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000824337759 609364738 /nfs/dbraw/zinc/36/47/38/609364738.db2.gz FYJMATXSMYLANN-JKSUJKDBSA-N -1 3 360.483 3.405 20 0 FGADHM CC(C)S[C@@H]1CCCC[C@@H]1OC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000824337759 609364741 /nfs/dbraw/zinc/36/47/41/609364741.db2.gz FYJMATXSMYLANN-JKSUJKDBSA-N -1 3 360.483 3.405 20 0 FGADHM Cc1cc(NC(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)no1 ZINC000826270903 609367452 /nfs/dbraw/zinc/36/74/52/609367452.db2.gz SXJUEWBFSBJOBO-UHFFFAOYSA-N -1 3 362.349 3.208 20 0 FGADHM Cc1cc(NC(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)no1 ZINC000826270903 609367454 /nfs/dbraw/zinc/36/74/54/609367454.db2.gz SXJUEWBFSBJOBO-UHFFFAOYSA-N -1 3 362.349 3.208 20 0 FGADHM CC[C@H]1C[C@H](CC(=O)N(CC(C)C)c2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000825182389 609375782 /nfs/dbraw/zinc/37/57/82/609375782.db2.gz IQPVTNXGMKNAAO-QAPCUYQASA-N -1 3 371.485 3.451 20 0 FGADHM CC[C@H]1C[C@H](CC(=O)N(CC(C)C)c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000825182389 609375785 /nfs/dbraw/zinc/37/57/85/609375785.db2.gz IQPVTNXGMKNAAO-QAPCUYQASA-N -1 3 371.485 3.451 20 0 FGADHM O=C(O[C@@H]1CCSC1)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826462978 609387278 /nfs/dbraw/zinc/38/72/78/609387278.db2.gz PCSUKTYKOCUCJK-GFCCVEGCSA-N -1 3 368.418 3.321 20 0 FGADHM O=C(O[C@@H]1CCSC1)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826462978 609387280 /nfs/dbraw/zinc/38/72/80/609387280.db2.gz PCSUKTYKOCUCJK-GFCCVEGCSA-N -1 3 368.418 3.321 20 0 FGADHM C[C@@H](NC(=O)N1CC[C@@]2(CC[C@@H](C)C2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824917851 609401534 /nfs/dbraw/zinc/40/15/34/609401534.db2.gz OCVCAQLMWMTDOA-PJIJBLCYSA-N -1 3 354.458 3.149 20 0 FGADHM C[C@@H](NC(=O)N1CC[C@@]2(CC[C@@H](C)C2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824917851 609401535 /nfs/dbraw/zinc/40/15/35/609401535.db2.gz OCVCAQLMWMTDOA-PJIJBLCYSA-N -1 3 354.458 3.149 20 0 FGADHM O=C1[C@H](Sc2ccccc2F)CCCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000826477639 609414133 /nfs/dbraw/zinc/41/41/33/609414133.db2.gz IHHCGFWUZQRHJI-MRXNPFEDSA-N -1 3 369.425 3.294 20 0 FGADHM O=C1[C@H](Sc2ccccc2F)CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826477639 609414135 /nfs/dbraw/zinc/41/41/35/609414135.db2.gz IHHCGFWUZQRHJI-MRXNPFEDSA-N -1 3 369.425 3.294 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)C(C)=Cc1ccc(C)cc1 ZINC000826174021 609418492 /nfs/dbraw/zinc/41/84/92/609418492.db2.gz FYAPZGJZYOMGQN-JLHYYAGUSA-N -1 3 350.378 3.193 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)C(C)=Cc1ccc(C)cc1 ZINC000826174021 609418494 /nfs/dbraw/zinc/41/84/94/609418494.db2.gz FYAPZGJZYOMGQN-JLHYYAGUSA-N -1 3 350.378 3.193 20 0 FGADHM CC(=O)c1ccc(-c2nnn[n-]2)cc1N1CCC[C@H](Nc2ccccc2)C1 ZINC000824019544 609423048 /nfs/dbraw/zinc/42/30/48/609423048.db2.gz GANYTQDRCFJCLM-KRWDZBQOSA-N -1 3 362.437 3.150 20 0 FGADHM CC(=O)c1ccc(-c2nn[n-]n2)cc1N1CCC[C@H](Nc2ccccc2)C1 ZINC000824019544 609423050 /nfs/dbraw/zinc/42/30/50/609423050.db2.gz GANYTQDRCFJCLM-KRWDZBQOSA-N -1 3 362.437 3.150 20 0 FGADHM COc1ccc(CNc2ccc(F)cc2NC(C)C)cc1-c1nnn[n-]1 ZINC000826204109 609439932 /nfs/dbraw/zinc/43/99/32/609439932.db2.gz XXADRCURTKYRGH-UHFFFAOYSA-N -1 3 356.405 3.447 20 0 FGADHM COc1ccc(CNc2ccc(F)cc2NC(C)C)cc1-c1nn[n-]n1 ZINC000826204109 609439933 /nfs/dbraw/zinc/43/99/33/609439933.db2.gz XXADRCURTKYRGH-UHFFFAOYSA-N -1 3 356.405 3.447 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1CNc1ccc(F)cc1OC(C)C ZINC000826170654 609440335 /nfs/dbraw/zinc/44/03/35/609440335.db2.gz JWUFMKLWVOCOPE-UHFFFAOYSA-N -1 3 357.389 3.414 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1CNc1ccc(F)cc1OC(C)C ZINC000826170654 609440338 /nfs/dbraw/zinc/44/03/38/609440338.db2.gz JWUFMKLWVOCOPE-UHFFFAOYSA-N -1 3 357.389 3.414 20 0 FGADHM O=C(CNc1csc2ccccc12)Nc1cccc(-c2nnn[n-]2)c1 ZINC000826414019 609440380 /nfs/dbraw/zinc/44/03/80/609440380.db2.gz ADOYHSQFPFALSI-UHFFFAOYSA-N -1 3 350.407 3.132 20 0 FGADHM O=C(CNc1csc2ccccc12)Nc1cccc(-c2nn[n-]n2)c1 ZINC000826414019 609440383 /nfs/dbraw/zinc/44/03/83/609440383.db2.gz ADOYHSQFPFALSI-UHFFFAOYSA-N -1 3 350.407 3.132 20 0 FGADHM C[C@@H](NC(=S)NC1CC1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824521933 609443686 /nfs/dbraw/zinc/44/36/86/609443686.db2.gz OUZYGSAERDYMQF-GFCCVEGCSA-N -1 3 364.478 3.221 20 0 FGADHM C[C@@H](NC(=S)NC1CC1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824521933 609443687 /nfs/dbraw/zinc/44/36/87/609443687.db2.gz OUZYGSAERDYMQF-GFCCVEGCSA-N -1 3 364.478 3.221 20 0 FGADHM Cc1cnc(CNc2ccn(-c3ccc(-c4nn[n-]n4)cc3Cl)n2)s1 ZINC000826318327 609446453 /nfs/dbraw/zinc/44/64/53/609446453.db2.gz DOWCWPBRQXEDQI-UHFFFAOYSA-N -1 3 372.845 3.083 20 0 FGADHM Cc1ncc(CNc2ccn(-c3ccc(Cl)cc3-c3nnn[n-]3)n2)s1 ZINC000826330591 609446575 /nfs/dbraw/zinc/44/65/75/609446575.db2.gz ZXZMSVRKURPJED-UHFFFAOYSA-N -1 3 372.845 3.083 20 0 FGADHM Cc1ncc(CNc2ccn(-c3ccc(Cl)cc3-c3nn[n-]n3)n2)s1 ZINC000826330591 609446578 /nfs/dbraw/zinc/44/65/78/609446578.db2.gz ZXZMSVRKURPJED-UHFFFAOYSA-N -1 3 372.845 3.083 20 0 FGADHM COCC1(C(=O)Nc2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)CC1 ZINC000826152757 609457141 /nfs/dbraw/zinc/45/71/41/609457141.db2.gz MGWFMEZNDGEXRF-UHFFFAOYSA-N -1 3 365.393 3.024 20 0 FGADHM COCC1(C(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)CC1 ZINC000826152757 609457142 /nfs/dbraw/zinc/45/71/42/609457142.db2.gz MGWFMEZNDGEXRF-UHFFFAOYSA-N -1 3 365.393 3.024 20 0 FGADHM CC(C)(C)NC(=O)c1ccc(NCc2cccc(-c3nnn[n-]3)c2F)cc1 ZINC000824094579 609474786 /nfs/dbraw/zinc/47/47/86/609474786.db2.gz YZJJAIKMEMXZLE-UHFFFAOYSA-N -1 3 368.416 3.146 20 0 FGADHM CC(C)(C)NC(=O)c1ccc(NCc2cccc(-c3nn[n-]n3)c2F)cc1 ZINC000824094579 609474788 /nfs/dbraw/zinc/47/47/88/609474788.db2.gz YZJJAIKMEMXZLE-UHFFFAOYSA-N -1 3 368.416 3.146 20 0 FGADHM CCN(C(=O)C=Cc1cnccc1C)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825366554 609480320 /nfs/dbraw/zinc/48/03/20/609480320.db2.gz BUZHQAWQDHCYTK-KVPUOBJLSA-N -1 3 362.437 3.193 20 0 FGADHM CCN(C(=O)C=Cc1cnccc1C)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825366554 609480322 /nfs/dbraw/zinc/48/03/22/609480322.db2.gz BUZHQAWQDHCYTK-KVPUOBJLSA-N -1 3 362.437 3.193 20 0 FGADHM C[C@@H]1CCC[C@H]1C(=O)N(Cc1ccco1)c1ccccc1-c1nnn[n-]1 ZINC000824927037 609482920 /nfs/dbraw/zinc/48/29/20/609482920.db2.gz LRTDLTBUHIAORF-UKRRQHHQSA-N -1 3 351.410 3.429 20 0 FGADHM C[C@@H]1CCC[C@H]1C(=O)N(Cc1ccco1)c1ccccc1-c1nn[n-]n1 ZINC000824927037 609482923 /nfs/dbraw/zinc/48/29/23/609482923.db2.gz LRTDLTBUHIAORF-UKRRQHHQSA-N -1 3 351.410 3.429 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NCc1cnc(-c2ccncc2)s1 ZINC000826186717 609483532 /nfs/dbraw/zinc/48/35/32/609483532.db2.gz HZVDIEUMHJRGAK-UHFFFAOYSA-N -1 3 365.422 3.006 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NCc1cnc(-c2ccncc2)s1 ZINC000826186717 609483534 /nfs/dbraw/zinc/48/35/34/609483534.db2.gz HZVDIEUMHJRGAK-UHFFFAOYSA-N -1 3 365.422 3.006 20 0 FGADHM C[C@@H]1CN(C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)CC(C)(C)C1 ZINC000824975808 609494136 /nfs/dbraw/zinc/49/41/36/609494136.db2.gz LJWPXIHPXBLINL-LBPRGKRZSA-N -1 3 359.478 3.323 20 0 FGADHM C[C@@H]1CN(C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)CC(C)(C)C1 ZINC000824975808 609494139 /nfs/dbraw/zinc/49/41/39/609494139.db2.gz LJWPXIHPXBLINL-LBPRGKRZSA-N -1 3 359.478 3.323 20 0 FGADHM O=C(Cc1ccncc1)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000826424011 609500123 /nfs/dbraw/zinc/50/01/23/609500123.db2.gz RJTVUASLSITFCI-UHFFFAOYSA-N -1 3 372.388 3.235 20 0 FGADHM O=C(Cc1ccncc1)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000826424011 609500126 /nfs/dbraw/zinc/50/01/26/609500126.db2.gz RJTVUASLSITFCI-UHFFFAOYSA-N -1 3 372.388 3.235 20 0 FGADHM O=C(CSCc1c(F)cccc1F)Nc1cccc(-c2nnn[n-]2)c1 ZINC000826419689 609518118 /nfs/dbraw/zinc/51/81/18/609518118.db2.gz HZZLDJXGNJRYJQ-UHFFFAOYSA-N -1 3 361.377 3.017 20 0 FGADHM O=C(CSCc1c(F)cccc1F)Nc1cccc(-c2nn[n-]n2)c1 ZINC000826419689 609518121 /nfs/dbraw/zinc/51/81/21/609518121.db2.gz HZZLDJXGNJRYJQ-UHFFFAOYSA-N -1 3 361.377 3.017 20 0 FGADHM C[C@H]1CC(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)C[C@H](C)C1 ZINC000824875351 609518879 /nfs/dbraw/zinc/51/88/79/609518879.db2.gz LXLVHSCWQXSAJJ-ZIAGYGMSSA-N -1 3 353.470 3.430 20 0 FGADHM C[C@H]1CC(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)C[C@H](C)C1 ZINC000824875351 609518880 /nfs/dbraw/zinc/51/88/80/609518880.db2.gz LXLVHSCWQXSAJJ-ZIAGYGMSSA-N -1 3 353.470 3.430 20 0 FGADHM Cc1cnc(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)CC(C)C)c(C)c1 ZINC000826317252 609524272 /nfs/dbraw/zinc/52/42/72/609524272.db2.gz UUYKCZPFXSLPLA-UHFFFAOYSA-N -1 3 364.453 3.177 20 0 FGADHM Cc1cnc(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)CC(C)C)c(C)c1 ZINC000826317252 609524274 /nfs/dbraw/zinc/52/42/74/609524274.db2.gz UUYKCZPFXSLPLA-UHFFFAOYSA-N -1 3 364.453 3.177 20 0 FGADHM CCCCN([C@@H](C)CC)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000825281852 609538929 /nfs/dbraw/zinc/53/89/29/609538929.db2.gz KOWDWIPGWSMRSX-NSHDSACASA-N -1 3 371.894 3.109 20 0 FGADHM CCCCN([C@@H](C)CC)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000825281852 609538931 /nfs/dbraw/zinc/53/89/31/609538931.db2.gz KOWDWIPGWSMRSX-NSHDSACASA-N -1 3 371.894 3.109 20 0 FGADHM COc1ccc([C@H]2CCN(c3ncc(Cl)c(C)c3-c3nnn[n-]3)C2)cc1 ZINC000826191071 609543871 /nfs/dbraw/zinc/54/38/71/609543871.db2.gz WHWDGXRIVNNKIT-ZDUSSCGKSA-N -1 3 370.844 3.226 20 0 FGADHM COc1ccc([C@H]2CCN(c3ncc(Cl)c(C)c3-c3nn[n-]n3)C2)cc1 ZINC000826191071 609543872 /nfs/dbraw/zinc/54/38/72/609543872.db2.gz WHWDGXRIVNNKIT-ZDUSSCGKSA-N -1 3 370.844 3.226 20 0 FGADHM COc1ccc2c(c1)CCCN(c1ncc(Cl)c(C)c1-c1nnn[n-]1)C2 ZINC000826213508 609548768 /nfs/dbraw/zinc/54/87/68/609548768.db2.gz ZDOVAECWOGFGFB-UHFFFAOYSA-N -1 3 370.844 3.185 20 0 FGADHM COc1ccc2c(c1)CCCN(c1ncc(Cl)c(C)c1-c1nn[n-]n1)C2 ZINC000826213508 609548772 /nfs/dbraw/zinc/54/87/72/609548772.db2.gz ZDOVAECWOGFGFB-UHFFFAOYSA-N -1 3 370.844 3.185 20 0 FGADHM CCN(C)c1ccccc1CNc1ncc(Cl)c(C)c1-c1nnn[n-]1 ZINC000825395454 609549429 /nfs/dbraw/zinc/54/94/29/609549429.db2.gz PISXYCKXLCTBKW-UHFFFAOYSA-N -1 3 357.849 3.292 20 0 FGADHM CCN(C)c1ccccc1CNc1ncc(Cl)c(C)c1-c1nn[n-]n1 ZINC000825395454 609549430 /nfs/dbraw/zinc/54/94/30/609549430.db2.gz PISXYCKXLCTBKW-UHFFFAOYSA-N -1 3 357.849 3.292 20 0 FGADHM Cc1c(Cl)cnc(N(C[C@@H]2CCCO2)C2CCCC2)c1-c1nnn[n-]1 ZINC000826236892 609561361 /nfs/dbraw/zinc/56/13/61/609561361.db2.gz GEUIWOZZPJHHKJ-ZDUSSCGKSA-N -1 3 362.865 3.152 20 0 FGADHM Cc1c(Cl)cnc(N(C[C@@H]2CCCO2)C2CCCC2)c1-c1nn[n-]n1 ZINC000826236892 609561362 /nfs/dbraw/zinc/56/13/62/609561362.db2.gz GEUIWOZZPJHHKJ-ZDUSSCGKSA-N -1 3 362.865 3.152 20 0 FGADHM CC[C@H](Nc1ncc(Cl)c(C)c1-c1nnn[n-]1)c1c(C)nn(C)c1C ZINC000825147362 609563286 /nfs/dbraw/zinc/56/32/86/609563286.db2.gz JATOOPWBPPCUIJ-LBPRGKRZSA-N -1 3 360.853 3.137 20 0 FGADHM CC[C@H](Nc1ncc(Cl)c(C)c1-c1nn[n-]n1)c1c(C)nn(C)c1C ZINC000825147362 609563287 /nfs/dbraw/zinc/56/32/87/609563287.db2.gz JATOOPWBPPCUIJ-LBPRGKRZSA-N -1 3 360.853 3.137 20 0 FGADHM CCc1nnc(N[C@H]2CCCc3nc(C)sc32)c(-c2nnn[n-]2)c1CC ZINC000825767304 609565590 /nfs/dbraw/zinc/56/55/90/609565590.db2.gz JWHZLZVKTSAAFT-ZDUSSCGKSA-N -1 3 370.486 3.036 20 0 FGADHM CCc1nnc(N[C@H]2CCCc3nc(C)sc32)c(-c2nn[n-]n2)c1CC ZINC000825767304 609565593 /nfs/dbraw/zinc/56/55/93/609565593.db2.gz JWHZLZVKTSAAFT-ZDUSSCGKSA-N -1 3 370.486 3.036 20 0 FGADHM Cc1ccnc(NCc2cc(Cl)ccc2OC(F)F)c1-c1nnn[n-]1 ZINC000826314350 609567826 /nfs/dbraw/zinc/56/78/26/609567826.db2.gz SDWFITONIDCADR-UHFFFAOYSA-N -1 3 366.759 3.437 20 0 FGADHM Cc1ccnc(NCc2cc(Cl)ccc2OC(F)F)c1-c1nn[n-]n1 ZINC000826314350 609567830 /nfs/dbraw/zinc/56/78/30/609567830.db2.gz SDWFITONIDCADR-UHFFFAOYSA-N -1 3 366.759 3.437 20 0 FGADHM Cc1c(Cl)cnc(NC[C@@H]2CCCO[C@@H]2C(C)C)c1-c1nnn[n-]1 ZINC000826239858 609570239 /nfs/dbraw/zinc/57/02/39/609570239.db2.gz SBBIZYIWSPGGON-SMDDNHRTSA-N -1 3 350.854 3.087 20 0 FGADHM Cc1c(Cl)cnc(NC[C@@H]2CCCO[C@@H]2C(C)C)c1-c1nn[n-]n1 ZINC000826239858 609570240 /nfs/dbraw/zinc/57/02/40/609570240.db2.gz SBBIZYIWSPGGON-SMDDNHRTSA-N -1 3 350.854 3.087 20 0 FGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)N1CCC[C@H]1/C=C\c1ccccc1 ZINC000826441282 609594271 /nfs/dbraw/zinc/59/42/71/609594271.db2.gz XDEZKSGAWGELNF-XGCMIMOYSA-N -1 3 374.448 3.254 20 0 FGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)N1CCC[C@H]1/C=C\c1ccccc1 ZINC000826441282 609594273 /nfs/dbraw/zinc/59/42/73/609594273.db2.gz XDEZKSGAWGELNF-XGCMIMOYSA-N -1 3 374.448 3.254 20 0 FGADHM C[C@H]1C[C@@H](CCNc2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)CCO1 ZINC000824886404 609596477 /nfs/dbraw/zinc/59/64/77/609596477.db2.gz YHSOQBKJSVMTKZ-QWRGUYRKSA-N -1 3 374.395 3.310 20 0 FGADHM C[C@H]1C[C@@H](CCNc2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)CCO1 ZINC000824886404 609596479 /nfs/dbraw/zinc/59/64/79/609596479.db2.gz YHSOQBKJSVMTKZ-QWRGUYRKSA-N -1 3 374.395 3.310 20 0 FGADHM O=C(OCc1ccc(Cl)cc1-c1nnn[n-]1)[C@@H]1CCOc2ccccc21 ZINC000826465476 609619770 /nfs/dbraw/zinc/61/97/70/609619770.db2.gz OQBMONCGFTWVOF-CQSZACIVSA-N -1 3 370.796 3.130 20 0 FGADHM O=C(OCc1ccc(Cl)cc1-c1nn[n-]n1)[C@@H]1CCOc2ccccc21 ZINC000826465476 609619771 /nfs/dbraw/zinc/61/97/71/609619771.db2.gz OQBMONCGFTWVOF-CQSZACIVSA-N -1 3 370.796 3.130 20 0 FGADHM Cc1ccc(S(=O)(=O)NN=c2[n-]cc(C(F)(F)F)cc2Cl)cc1 ZINC000007428400 695568953 /nfs/dbraw/zinc/56/89/53/695568953.db2.gz JZOJERGNLRJWEL-UHFFFAOYSA-N -1 3 365.764 3.368 20 0 FGADHM C[C@@H](NC(=O)COC(=O)c1cc(Cl)c(Cl)[n-]1)c1ccc(F)cc1 ZINC000011809890 695602792 /nfs/dbraw/zinc/60/27/92/695602792.db2.gz ZHPJCNVPAXVLGQ-MRVPVSSYSA-N -1 3 359.184 3.495 20 0 FGADHM O=c1[n-]nc(SCc2ccc(C(F)(F)F)cc2)n1C[C@@H]1CCCO1 ZINC000016117968 695625251 /nfs/dbraw/zinc/62/52/51/695625251.db2.gz MVMAPLJUQQMIEO-LBPRGKRZSA-N -1 3 359.373 3.062 20 0 FGADHM CSc1ccc(C(=O)COC(=O)c2ccc([O-])cc2)cc1NC(C)=O ZINC000016743003 695631835 /nfs/dbraw/zinc/63/18/35/695631835.db2.gz JWCOFFKMDKCCHC-UHFFFAOYSA-N -1 3 359.403 3.112 20 0 FGADHM CCOC(=O)N[N-]C(=O)c1ccc(SCCC(C)C)c([N+](=O)[O-])c1 ZINC000021770750 695648085 /nfs/dbraw/zinc/64/80/85/695648085.db2.gz MJKJSEGXTZRFKV-UHFFFAOYSA-N -1 3 355.416 3.124 20 0 FGADHM Cc1nc(CC(=O)O[C@@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)cs1 ZINC000022619293 695655015 /nfs/dbraw/zinc/65/50/15/695655015.db2.gz USZSJMYADHJBOU-QMMMGPOBSA-N -1 3 363.464 3.213 20 0 FGADHM CC[C@H](C)[N-]S(=O)(=O)c1cc(Cl)cc(Br)c1OC ZINC000024224153 695666761 /nfs/dbraw/zinc/66/67/61/695666761.db2.gz PYTJURWDORQURY-ZETCQYMHSA-N -1 3 356.669 3.188 20 0 FGADHM C[C@@H]1C[C@H](C)CN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)C1 ZINC000029738433 695715914 /nfs/dbraw/zinc/71/59/14/695715914.db2.gz KLIVQHUVKYVBME-BETUJISGSA-N -1 3 370.490 3.021 20 0 FGADHM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(N2CCOCC2)cc1 ZINC000031665741 695738032 /nfs/dbraw/zinc/73/80/32/695738032.db2.gz JHDWLDYXIVSLDS-UHFFFAOYSA-N -1 3 366.870 3.286 20 0 FGADHM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccc(F)c(C(N)=O)c2)c(C)c1C ZINC000032087268 695741786 /nfs/dbraw/zinc/74/17/86/695741786.db2.gz DLODOYZVJJRDNW-UHFFFAOYSA-N -1 3 364.442 3.268 20 0 FGADHM O=C(NCCSc1ccc(Cl)cc1)N[N-]C(=O)c1ccccc1F ZINC000043861839 695797862 /nfs/dbraw/zinc/79/78/62/695797862.db2.gz SCJXWAQVDQTJJK-UHFFFAOYSA-N -1 3 367.833 3.215 20 0 FGADHM CCN(C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)C1CC1 ZINC000044545128 695809069 /nfs/dbraw/zinc/80/90/69/695809069.db2.gz ZXDZQCOVVVSWFQ-UHFFFAOYSA-N -1 3 362.426 3.251 20 0 FGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(F)cc(F)c2)ccc1F ZINC000046178671 695834676 /nfs/dbraw/zinc/83/46/76/695834676.db2.gz SVOWJHHNMRAWQW-UHFFFAOYSA-N -1 3 372.368 3.043 20 0 FGADHM O=C(OCc1ccc(Cl)s1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000046332310 695837474 /nfs/dbraw/zinc/83/74/74/695837474.db2.gz IGRJZEJXEWGTIB-ZDUSSCGKSA-N -1 3 365.838 3.455 20 0 FGADHM COCCCCOC(=O)c1n[n-]c(-c2ccccc2)c1Br ZINC000069582410 695951113 /nfs/dbraw/zinc/95/11/13/695951113.db2.gz RMTXNWZOCAONEW-UHFFFAOYSA-N -1 3 353.216 3.423 20 0 FGADHM O=S(=O)(/C=C/c1ccc(Cl)cc1)[N-]c1cnn(C[C@@H]2CCCO2)c1 ZINC000071977457 695958949 /nfs/dbraw/zinc/95/89/49/695958949.db2.gz JMFOOFUFUFOTBT-DYLHUKMJSA-N -1 3 367.858 3.128 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C)c(N3CCOC3=O)c2)cc1C ZINC000072761032 695962636 /nfs/dbraw/zinc/96/26/36/695962636.db2.gz AYDYEZDDVVQGIM-UHFFFAOYSA-N -1 3 360.435 3.369 20 0 FGADHM CC[C@@H]1C[C@H](C)CN1C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000073326069 695968075 /nfs/dbraw/zinc/96/80/75/695968075.db2.gz HITOZBIDPCTEIQ-GXTWGEPZSA-N -1 3 370.490 3.163 20 0 FGADHM CC[C@@H](C)C[C@@H](C)NC(=O)N[N-]C(=O)c1ccccc1Br ZINC000074787506 700199620 /nfs/dbraw/zinc/19/96/20/700199620.db2.gz TVYWHYFBBXVOCO-GHMZBOCLSA-N -1 3 356.264 3.218 20 0 FGADHM CCN1CCc2ccc([N-]S(=O)(=O)c3ccc(CCOC)cc3)cc21 ZINC000076195354 700227235 /nfs/dbraw/zinc/22/72/35/700227235.db2.gz XGIZBBVHDTZKTP-UHFFFAOYSA-N -1 3 360.479 3.059 20 0 FGADHM Cc1ccc([O-])c(CN2CCO[C@@H](c3ccccc3Br)C2)n1 ZINC000092592254 700438054 /nfs/dbraw/zinc/43/80/54/700438054.db2.gz LJSGHTORBJBRLR-QGZVFWFLSA-N -1 3 363.255 3.432 20 0 FGADHM CN(C)[C@H](C[N-]S(=O)(=O)c1cccc(Cl)c1F)c1ccccc1 ZINC000097298112 700461930 /nfs/dbraw/zinc/46/19/30/700461930.db2.gz YLSHLJLZRHDRFH-CQSZACIVSA-N -1 3 356.850 3.060 20 0 FGADHM C[C@@H](OC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)c1cccc(F)c1 ZINC000101707210 700470405 /nfs/dbraw/zinc/47/04/05/700470405.db2.gz VJYDZUKQTIZEST-SNVBAGLBSA-N -1 3 355.362 3.254 20 0 FGADHM C[C@H](OC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)c1ccc(F)c(F)c1 ZINC000101707220 700470426 /nfs/dbraw/zinc/47/04/26/700470426.db2.gz RNSWXRKJURPYTO-VIFPVBQESA-N -1 3 373.352 3.393 20 0 FGADHM COc1ccc2c(c1)C(=O)N(C)[C@@H](c1ccc([O-])c(Br)c1)N2 ZINC000102418414 700476042 /nfs/dbraw/zinc/47/60/42/700476042.db2.gz VSIWPRZFYBBSCJ-HNNXBMFYSA-N -1 3 363.211 3.360 20 0 FGADHM COCCOc1ccc(S(=O)(=O)[N-]c2cccc(C(C)=O)c2)cc1C ZINC000106089122 700506813 /nfs/dbraw/zinc/50/68/13/700506813.db2.gz OBEMHKMDYAGAOQ-UHFFFAOYSA-N -1 3 363.435 3.024 20 0 FGADHM Cc1ccc(C(=O)NC[C@H](O)c2ccc(OC(F)(F)F)cc2)c([O-])c1 ZINC000109535068 700535538 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Cc1[nH]nc(NC(=O)CCCc2ccc([O-])c(F)c2)c1Br ZINC000616008420 714562680 /nfs/dbraw/zinc/56/26/80/714562680.db2.gz FTBKUGDPGHYNEC-UHFFFAOYSA-N -1 3 356.195 3.287 20 0 FGADHM Cc1ccc(Br)c(C)c1C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000616825594 714602601 /nfs/dbraw/zinc/60/26/01/714602601.db2.gz ZMGIYVZIZZOCHP-CYBMUJFWSA-N -1 3 364.243 3.315 20 0 FGADHM CCCOc1ccc(Cl)cc1C(=O)Nc1cnc(C(=O)OCC)[n-]1 ZINC000617876523 714699153 /nfs/dbraw/zinc/69/91/53/714699153.db2.gz SQQGDIPJDKJODO-UHFFFAOYSA-N -1 3 351.790 3.281 20 0 FGADHM CCCOc1ccc(Cl)cc1C(=O)Nc1c[n-]c(C(=O)OCC)n1 ZINC000617876523 714699155 /nfs/dbraw/zinc/69/91/55/714699155.db2.gz SQQGDIPJDKJODO-UHFFFAOYSA-N -1 3 351.790 3.281 20 0 FGADHM O=C(c1ccc(O)cc1[O-])N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC000618298978 714732845 /nfs/dbraw/zinc/73/28/45/714732845.db2.gz VLVHILLFZCMQEJ-HTQZYQBOSA-N -1 3 357.250 3.301 20 0 FGADHM CCCN(CCC)S(=O)(=O)[N-]c1cccc(C(=O)OC)c1OC(C)C ZINC000619620939 714857725 /nfs/dbraw/zinc/85/77/25/714857725.db2.gz 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ZINC000802888842 724416022 /nfs/dbraw/zinc/41/60/22/724416022.db2.gz XSDUBRPNCDMZOL-GFCCVEGCSA-N -1 3 370.833 3.010 20 0 FGADHM CC[C@@H](OC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)c1ccc(F)cn1 ZINC000803046420 724425933 /nfs/dbraw/zinc/42/59/33/724425933.db2.gz NYTAJFPJZGJMKF-OAHLLOKOSA-N -1 3 370.377 3.039 20 0 FGADHM Cc1nn(C)cc1[C@@H]1CCCN1C(=O)c1cc([O-])cc(Br)c1 ZINC000626092701 715846080 /nfs/dbraw/zinc/84/60/80/715846080.db2.gz CKKATBDFMIKVLY-HNNXBMFYSA-N -1 3 364.243 3.174 20 0 FGADHM O=S(=O)([N-]c1cccnc1Br)c1cc(F)cc(Cl)c1 ZINC000755428909 722953169 /nfs/dbraw/zinc/95/31/69/722953169.db2.gz BWCKCHLBUOQSOF-UHFFFAOYSA-N -1 3 365.611 3.437 20 0 FGADHM Cc1cc(=O)[n-]c(C(C)(C)NCc2cccc(Br)c2F)n1 ZINC000628374864 716149021 /nfs/dbraw/zinc/14/90/21/716149021.db2.gz IJLFUAZQHNDEIF-UHFFFAOYSA-N -1 3 354.223 3.417 20 0 FGADHM Cc1cc(=O)[n-]c(C(C)(C)NCc2cccc(F)c2Br)n1 ZINC000628374832 716149023 /nfs/dbraw/zinc/14/90/23/716149023.db2.gz FYCCMUYIFWCOEX-UHFFFAOYSA-N -1 3 354.223 3.417 20 0 FGADHM CCOc1cccc([N-]S(=O)(=O)C[C@@H](Cc2ccc(F)cc2)OC)c1 ZINC000629287678 716252456 /nfs/dbraw/zinc/25/24/56/716252456.db2.gz SRURVZMTVCVUTB-GOSISDBHSA-N -1 3 367.442 3.224 20 0 FGADHM CC[C@H](CS(=O)(=O)[N-]c1ccc(SC)c(Br)c1)OC ZINC000629309759 716258586 /nfs/dbraw/zinc/25/85/86/716258586.db2.gz LTQOVYADMOJOMC-SNVBAGLBSA-N -1 3 368.318 3.338 20 0 FGADHM O=C([O-])c1cnc(C2CCN(CCOc3ccc(F)cc3)CC2)s1 ZINC000629366948 716276686 /nfs/dbraw/zinc/27/66/86/716276686.db2.gz CFPDOFWWJFZUKN-UHFFFAOYSA-N -1 3 350.415 3.239 20 0 FGADHM O=C([O-])[C@@H]1CCN(Cc2nc(-c3cccc(Cl)c3)no2)[C@H]2CCC[C@@H]21 ZINC000629372031 716278439 /nfs/dbraw/zinc/27/84/39/716278439.db2.gz CJXHRFXEYKQSPD-KFWWJZLASA-N -1 3 361.829 3.465 20 0 FGADHM O=C([O-])[C@@H]1CCN(Cc2cc3c(cc2Cl)OCCO3)[C@H]2CCC[C@H]21 ZINC000629376918 716279233 /nfs/dbraw/zinc/27/92/33/716279233.db2.gz KMUMOXBWZIGSOT-GUTXKFCHSA-N -1 3 351.830 3.186 20 0 FGADHM O=C([O-])[C@@H]1CCN(CCOc2ccccc2Br)[C@@H]2CCC[C@@H]21 ZINC000629374419 716279337 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CO[C@@H](CS(=O)(=O)[N-]c1cc(F)c(Br)cc1C)C(C)C ZINC000647130518 718334344 /nfs/dbraw/zinc/33/43/44/718334344.db2.gz FMIPACHSGPFCIY-ZDUSSCGKSA-N -1 3 368.268 3.309 20 0 FGADHM CO[C@H](CS(=O)(=O)[N-]c1cccc(-c2noc(C3CC3)n2)c1)C(C)C ZINC000647128797 718333623 /nfs/dbraw/zinc/33/36/23/718333623.db2.gz PGPBWGIRYKBCKJ-OAHLLOKOSA-N -1 3 365.455 3.027 20 0 FGADHM COc1cc([N-]S(=O)(=O)C[C@@H](OC)C(C)C)ccc1C(F)(F)F ZINC000647131792 718334555 /nfs/dbraw/zinc/33/45/55/718334555.db2.gz DCHKRENUTBVYQO-CYBMUJFWSA-N -1 3 355.378 3.127 20 0 FGADHM COc1ccc(Cl)cc1NCCC(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000647797346 718378226 /nfs/dbraw/zinc/37/82/26/718378226.db2.gz JEUQQCPDYDZDJO-UHFFFAOYSA-N -1 3 360.801 3.371 20 0 FGADHM O=C([N-]c1nnc(Cc2ccc(Cl)cc2)s1)c1cn(C2CCC2)nn1 ZINC000648362958 718418421 /nfs/dbraw/zinc/41/84/21/718418421.db2.gz PTYACVOCMACAIH-UHFFFAOYSA-N -1 3 374.857 3.351 20 0 FGADHM COCCC1(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)CCCC1 ZINC000648431867 718425993 /nfs/dbraw/zinc/42/59/93/718425993.db2.gz HMMFFSAPQMOYFP-UHFFFAOYSA-N -1 3 353.772 3.056 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(OC)c(OC)c2)cc1C ZINC000650217712 718643298 /nfs/dbraw/zinc/64/32/98/718643298.db2.gz SNLFHPZDGDRGAI-UHFFFAOYSA-N -1 3 371.842 3.475 20 0 FGADHM C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)CN1CCCC[C@@H]1CC(=O)[O-] ZINC000650504840 718689938 /nfs/dbraw/zinc/68/99/38/718689938.db2.gz GFLIOJNMPGBXEZ-XJKSGUPXSA-N -1 3 352.862 3.189 20 0 FGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@H]2C[C@H]2C2CCCC2)cc1OC ZINC000651151335 718773781 /nfs/dbraw/zinc/77/37/81/718773781.db2.gz ZERZQVNBRZISBU-GJZGRUSLSA-N -1 3 366.483 3.222 20 0 FGADHM NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)c1cc2sccc2c([O-])c1 ZINC000804891382 724561157 /nfs/dbraw/zinc/56/11/57/724561157.db2.gz MGTPDYSXAZQJPI-CQSZACIVSA-N -1 3 374.849 3.087 20 0 FGADHM Cc1csc(-c2ccc(S(=O)(=O)[N-]CC(F)(F)C(F)F)cc2)n1 ZINC000656183860 719370454 /nfs/dbraw/zinc/37/04/54/719370454.db2.gz ODTHUVRTPGCXHZ-UHFFFAOYSA-N -1 3 368.377 3.297 20 0 FGADHM CC(F)(F)C(C)(C)[N-]S(=O)(=O)CCc1ccccc1Br 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726978392 /nfs/dbraw/zinc/97/83/92/726978392.db2.gz XYUWAIUIGOYCRF-UHFFFAOYSA-N -1 3 356.403 3.206 20 0 FGADHM CCOC1(C[N-]S(=O)(=O)c2ccc(Cl)nc2Cl)CCCC1 ZINC000815067428 727030637 /nfs/dbraw/zinc/03/06/37/727030637.db2.gz YPOINEWKMPNRHV-UHFFFAOYSA-N -1 3 353.271 3.016 20 0 FGADHM COC(=O)c1cc(C(=O)OC2(c3ccccc3Br)CC2)c[n-]1 ZINC000815987052 727113660 /nfs/dbraw/zinc/11/36/60/727113660.db2.gz ROYNFFIHOLJYPU-UHFFFAOYSA-N -1 3 364.195 3.410 20 0 FGADHM [O-]c1ccc(F)c(CNC[C@@H](O)c2cccc(Br)c2)c1F ZINC000816601107 727179285 /nfs/dbraw/zinc/17/92/85/727179285.db2.gz ROABTKUONSAATI-CQSZACIVSA-N -1 3 358.182 3.256 20 0 FGADHM Nc1ccc(C(=O)NCC2(c3ccccc3Cl)CCOCC2)c([O-])c1 ZINC000817934145 727288390 /nfs/dbraw/zinc/28/83/90/727288390.db2.gz AYTOSGDKUACIAC-UHFFFAOYSA-N -1 3 360.841 3.106 20 0 FGADHM CC[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)c1c(C)noc1C ZINC000820842842 729036570 /nfs/dbraw/zinc/03/65/70/729036570.db2.gz QFTFFQNSXUHSPD-NSHDSACASA-N -1 3 360.805 3.257 20 0 FGADHM CC[C@H](C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)c1c(C)noc1C ZINC000820842842 729036573 /nfs/dbraw/zinc/03/65/73/729036573.db2.gz QFTFFQNSXUHSPD-NSHDSACASA-N -1 3 360.805 3.257 20 0 FGADHM CCc1oc(C(=O)OC)cc1CNc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821564095 729099547 /nfs/dbraw/zinc/09/95/47/729099547.db2.gz TWUAYPVVEHLURG-UHFFFAOYSA-N -1 3 361.789 3.074 20 0 FGADHM CC(C)(C)Sc1cc(C(=O)Nc2sccc2-c2nnn[n-]2)ccn1 ZINC000824124444 729320403 /nfs/dbraw/zinc/32/04/03/729320403.db2.gz TUBGSYDLBXLLPL-UHFFFAOYSA-N -1 3 360.468 3.466 20 0 FGADHM CC(C)(C)Sc1cc(C(=O)Nc2sccc2-c2nn[n-]n2)ccn1 ZINC000824124444 729320410 /nfs/dbraw/zinc/32/04/10/729320410.db2.gz TUBGSYDLBXLLPL-UHFFFAOYSA-N -1 3 360.468 3.466 20 0 FGADHM CC(C)C[C@H](CCO)CNc1ccc(Br)cc1-c1nnn[n-]1 ZINC000824236895 729326167 /nfs/dbraw/zinc/32/61/67/729326167.db2.gz PQIBOFUAJSHTPX-NSHDSACASA-N -1 3 368.279 3.086 20 0 FGADHM CC(C)C[C@H](CCO)CNc1ccc(Br)cc1-c1nn[n-]n1 ZINC000824236895 729326169 /nfs/dbraw/zinc/32/61/69/729326169.db2.gz 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/nfs/dbraw/zinc/37/36/84/729373684.db2.gz XNPHNPNRAQYGKO-UHFFFAOYSA-N -1 3 366.263 3.125 20 0 FGADHM CCCc1cnc(NC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)s1 ZINC000825348631 729379872 /nfs/dbraw/zinc/37/98/72/729379872.db2.gz SSRJEEHXVVGLHD-SNVBAGLBSA-N -1 3 357.443 3.158 20 0 FGADHM CCCc1cnc(NC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)s1 ZINC000825348631 729379873 /nfs/dbraw/zinc/37/98/73/729379873.db2.gz SSRJEEHXVVGLHD-SNVBAGLBSA-N -1 3 357.443 3.158 20 0 FGADHM Cc1nc(C)c(CN[C@H](c2cccc(-c3nnn[n-]3)c2)C(F)(F)F)s1 ZINC000826324376 729407140 /nfs/dbraw/zinc/40/71/40/729407140.db2.gz OQEJXFXCLCDQCT-CYBMUJFWSA-N -1 3 368.388 3.333 20 0 FGADHM Cc1nc(C)c(CN[C@H](c2cccc(-c3nn[n-]n3)c2)C(F)(F)F)s1 ZINC000826324376 729407142 /nfs/dbraw/zinc/40/71/42/729407142.db2.gz OQEJXFXCLCDQCT-CYBMUJFWSA-N -1 3 368.388 3.333 20 0 FGADHM Clc1cccc(SCc2nnc3n2CCCCC3)c1-c1nnn[n-]1 ZINC000826353418 729407492 /nfs/dbraw/zinc/40/74/92/729407492.db2.gz OHWZPRCNXNEQOS-UHFFFAOYSA-N -1 3 361.862 3.130 20 0 FGADHM Clc1cccc(SCc2nnc3n2CCCCC3)c1-c1nn[n-]n1 ZINC000826353418 729407493 /nfs/dbraw/zinc/40/74/93/729407493.db2.gz OHWZPRCNXNEQOS-UHFFFAOYSA-N -1 3 361.862 3.130 20 0 FGADHM Clc1ncc(NCc2cccc(-c3nnn[n-]3)c2)cc1Br ZINC000826353806 729407782 /nfs/dbraw/zinc/40/77/82/729407782.db2.gz DVGVAQXGUJQJJY-UHFFFAOYSA-N -1 3 365.622 3.290 20 0 FGADHM Clc1ncc(NCc2cccc(-c3nn[n-]n3)c2)cc1Br ZINC000826353806 729407783 /nfs/dbraw/zinc/40/77/83/729407783.db2.gz DVGVAQXGUJQJJY-UHFFFAOYSA-N -1 3 365.622 3.290 20 0 FGADHM Fc1ccc(Cl)c2c1ncc(-c1nnn[n-]1)c2N1CCC(F)(F)C1 ZINC000826374798 729407785 /nfs/dbraw/zinc/40/77/85/729407785.db2.gz MSHLALKHJJLGLA-UHFFFAOYSA-N -1 3 354.723 3.053 20 0 FGADHM Fc1ccc(Cl)c2c1ncc(-c1nn[n-]n1)c2N1CCC(F)(F)C1 ZINC000826374798 729407786 /nfs/dbraw/zinc/40/77/86/729407786.db2.gz MSHLALKHJJLGLA-UHFFFAOYSA-N -1 3 354.723 3.053 20 0 FGADHM O=C(O[C@@H]1CCc2c1cc(Cl)cc2Cl)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826462844 729408193 /nfs/dbraw/zinc/40/81/93/729408193.db2.gz KQCYQXIYAVNYSC-CYBMUJFWSA-N 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729679735 /nfs/dbraw/zinc/67/97/35/729679735.db2.gz XUUILVACYRUJTO-TZMCWYRMSA-N -1 3 350.331 3.401 20 0 FGADHM O=S(=O)([N-]C[C@H]1CCOC2(CCC2)C1)c1ccc(Cl)nc1Cl ZINC000832135628 729691354 /nfs/dbraw/zinc/69/13/54/729691354.db2.gz DSLFBCOLRMRSQE-JTQLQIEISA-N -1 3 365.282 3.016 20 0 FGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)[C@H]1CCC[C@H]1Cc1ccccc1 ZINC000832443415 729713787 /nfs/dbraw/zinc/71/37/87/729713787.db2.gz DDCUKUINTOXLCR-STQMWFEESA-N -1 3 352.360 3.099 20 0 FGADHM Cc1nc(SCC(C)C)sc1CC(=O)NCc1ncccc1[O-] ZINC000834781181 729833780 /nfs/dbraw/zinc/83/37/80/729833780.db2.gz CSNPSHRVPOCEOT-UHFFFAOYSA-N -1 3 351.497 3.159 20 0 FGADHM CCOC(=O)[C@@H](OC(=O)c1cc2cc(Cl)sc2[n-]1)[C@H](C)C(C)=O ZINC000835941773 729929032 /nfs/dbraw/zinc/92/90/32/729929032.db2.gz NKNVGVOJTFLPFK-KRTXAFLBSA-N -1 3 357.815 3.196 20 0 FGADHM CCC[C@H](NC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1)C(C)(C)C ZINC000836576603 729960932 /nfs/dbraw/zinc/96/09/32/729960932.db2.gz YCEFQWODPWHKPT-STQMWFEESA-N -1 3 365.440 3.301 20 0 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Cc1cc(C)n(-c2ccc(C(=O)NCc3ccc([O-])c(F)c3)cc2F)n1 ZINC000133094892 494968243 /nfs/dbraw/zinc/96/82/43/494968243.db2.gz ZUEMOIHVBCESDP-UHFFFAOYSA-N -1 3 357.360 3.403 20 0 FGADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@@H](C)COc3ccccc3)cc2)n1 ZINC000127639499 494974052 /nfs/dbraw/zinc/97/40/52/494974052.db2.gz ZXGQHIWQAAHSSK-AWEZNQCLSA-N -1 3 363.417 3.399 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N(C)Cc3ccccc3N(C)C)c[n-]c12 ZINC000568691373 505752960 /nfs/dbraw/zinc/75/29/60/505752960.db2.gz LKOOSMSNUATQEO-UHFFFAOYSA-N -1 3 367.424 3.314 20 0 FGADHM O=S(=O)([N-]c1cc(Br)ccc1F)c1ccc2c(c1)CCO2 ZINC000110590522 494992684 /nfs/dbraw/zinc/99/26/84/494992684.db2.gz JAJPYTUESRNCQG-UHFFFAOYSA-N -1 3 372.215 3.324 20 0 FGADHM Cc1c(C(=O)[N-]c2n[nH]c(-c3ccc(C)cc3)n2)nnn1CC1CCCC1 ZINC000574360612 505755305 /nfs/dbraw/zinc/75/53/05/505755305.db2.gz JLJHCWMWLWMDTB-UHFFFAOYSA-N -1 3 365.441 3.123 20 0 FGADHM CCOC(=O)c1sc([N-]C(=O)c2scnc2C(F)(F)F)nc1C ZINC000096756773 495014586 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Cc1nn(C)c(C)c1[C@H](C)C(=O)Nc1nnc(-c2cc3ccccc3o2)[n-]1 ZINC000580428215 505757668 /nfs/dbraw/zinc/75/76/68/505757668.db2.gz BWTULYHVUYCGPS-JTQLQIEISA-N -1 3 364.409 3.310 20 0 FGADHM Cc1nn(C)c(C)c1[C@H](C)C(=O)Nc1nc(-c2cc3ccccc3o2)n[n-]1 ZINC000580428215 505757672 /nfs/dbraw/zinc/75/76/72/505757672.db2.gz BWTULYHVUYCGPS-JTQLQIEISA-N -1 3 364.409 3.310 20 0 FGADHM Cc1nn(C)c(C)c1[C@H](C)C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000580428215 505757673 /nfs/dbraw/zinc/75/76/73/505757673.db2.gz BWTULYHVUYCGPS-JTQLQIEISA-N -1 3 364.409 3.310 20 0 FGADHM CCOC(=O)c1c[n-]n(C2CCN([C@H](C)c3ccc(F)cc3)CC2)c1=N ZINC000118838402 495045803 /nfs/dbraw/zinc/04/58/03/495045803.db2.gz VQRKOLRTONLGTF-CYBMUJFWSA-N -1 3 360.433 3.010 20 0 FGADHM CCc1cccc(C(=O)N(CC)Cc2ccc(C(=O)N(C)C)cc2)c1[O-] ZINC000133692159 495046870 /nfs/dbraw/zinc/04/68/70/495046870.db2.gz HWPKZZJZQNUWHO-UHFFFAOYSA-N -1 3 354.450 3.319 20 0 FGADHM C[C@H](O)C1CCN(Cc2nc(=O)c3cc(-c4ccccc4)sc3[n-]2)CC1 ZINC000111285576 495058237 /nfs/dbraw/zinc/05/82/37/495058237.db2.gz YHVHUEZEUVGNNC-ZDUSSCGKSA-N -1 3 369.490 3.244 20 0 FGADHM COc1cc(F)c(S(=O)(=O)[N-][C@H]2c3ccccc3C[C@H]2C)cc1OC ZINC000111368421 495067912 /nfs/dbraw/zinc/06/79/12/495067912.db2.gz AIMHXMIVPDIJQM-ADLMAVQZSA-N -1 3 365.426 3.055 20 0 FGADHM CCCCO[C@@H]1C[C@@H](N(C)C(=O)c2cc(NC(C)=O)ccc2[O-])C1(C)C ZINC000123038833 495071569 /nfs/dbraw/zinc/07/15/69/495071569.db2.gz ZQSCPCLIMALVOT-QZTJIDSGSA-N -1 3 362.470 3.406 20 0 FGADHM Cc1ccc(F)c(S(=O)(=O)[N-][C@H](C)c2noc(-c3ccccc3)n2)c1 ZINC000128308061 495077039 /nfs/dbraw/zinc/07/70/39/495077039.db2.gz AZFMRFANJQUZMA-GFCCVEGCSA-N -1 3 361.398 3.224 20 0 FGADHM Cc1cccc(C(=O)N2CCC[C@H](C3N=NC(=S)N3C(C)C)C2)c1[O-] ZINC000111657779 495092782 /nfs/dbraw/zinc/09/27/82/495092782.db2.gz CNJLLKKKDJVYBS-ZDUSSCGKSA-N -1 3 360.483 3.182 20 0 FGADHM COCc1ccc([C@H]2CCCN2C(=O)c2c[n-]c3ccccc3c2=O)o1 ZINC000119119119 495097497 /nfs/dbraw/zinc/09/74/97/495097497.db2.gz YRJKGMDZWHPNAW-QGZVFWFLSA-N -1 3 352.390 3.245 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-]CCc1c[nH]c2ccc(Cl)cc12 ZINC000123252255 495103530 /nfs/dbraw/zinc/10/35/30/495103530.db2.gz NRTMEVDGARDBDB-UHFFFAOYSA-N -1 3 370.883 3.412 20 0 FGADHM Cc1c(C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)cccc1-c1ccccn1 ZINC000123295815 495110479 /nfs/dbraw/zinc/11/04/79/495110479.db2.gz KWYASDSCDNIICP-UHFFFAOYSA-N -1 3 370.416 3.413 20 0 FGADHM Cc1c(C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)cccc1-c1ccccn1 ZINC000123295815 495110482 /nfs/dbraw/zinc/11/04/82/495110482.db2.gz KWYASDSCDNIICP-UHFFFAOYSA-N -1 3 370.416 3.413 20 0 FGADHM CC[C@@H](C[N-]S(=O)(=O)c1sccc1OC)Oc1cccc(C)c1 ZINC000123327509 495114978 /nfs/dbraw/zinc/11/49/78/495114978.db2.gz HYGXWCMHRFKPBG-ZDUSSCGKSA-N -1 3 355.481 3.201 20 0 FGADHM CCc1cc(=O)[n-]c(CS[C@@H]2CCCN(c3ccccc3F)C2=O)n1 ZINC000119231707 495122787 /nfs/dbraw/zinc/12/27/87/495122787.db2.gz USVSEYLUYYWGPK-OAHLLOKOSA-N -1 3 361.442 3.313 20 0 FGADHM COC(=O)c1sc2[n-]c(Cc3c(C)[nH]c4ccccc43)nc(=O)c2c1C ZINC000102190391 495124463 /nfs/dbraw/zinc/12/44/63/495124463.db2.gz SZWWHTSYHQPQAI-UHFFFAOYSA-N -1 3 367.430 3.460 20 0 FGADHM CNC(=O)c1sc2[n-]c(Cc3c(C)[nH]c4ccccc43)nc(=O)c2c1C ZINC000102190366 495124816 /nfs/dbraw/zinc/12/48/16/495124816.db2.gz LMKJBAWZZADJPC-UHFFFAOYSA-N -1 3 366.446 3.033 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc([C@@H](C)N3CCOCC3)cc2)cc1 ZINC000111994769 495134826 /nfs/dbraw/zinc/13/48/26/495134826.db2.gz YRNSIYUSTXDEII-MRXNPFEDSA-N -1 3 360.479 3.189 20 0 FGADHM C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)c2cnc3c(cnn3C)c2[O-])C1 ZINC000119291264 495135389 /nfs/dbraw/zinc/13/53/89/495135389.db2.gz FTFNVVYCRHPTOD-MEDUHNTESA-N -1 3 354.385 3.036 20 0 FGADHM O=S(=O)([N-]CCc1ccco1)c1cc(Br)ccc1Cl ZINC000119302566 495137758 /nfs/dbraw/zinc/13/77/58/495137758.db2.gz VHUYOEJTGTWEQV-UHFFFAOYSA-N -1 3 364.648 3.217 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)c1cccc(Br)c1)c1c(C)noc1C ZINC000119329939 495143666 /nfs/dbraw/zinc/14/36/66/495143666.db2.gz BQQIPPHKIHWSNY-ZDUSSCGKSA-N -1 3 373.272 3.484 20 0 FGADHM Cc1cc(C(=O)CCC(=O)Nc2cc(-c3nccn3C)[n-]n2)c(C)s1 ZINC000119335565 495144527 /nfs/dbraw/zinc/14/45/27/495144527.db2.gz AXGRLTIZGRMCLV-UHFFFAOYSA-N -1 3 357.439 3.090 20 0 FGADHM Cc1cc(C(=O)CCC(=O)Nc2cc(-c3nccn3C)n[n-]2)c(C)s1 ZINC000119335565 495144528 /nfs/dbraw/zinc/14/45/28/495144528.db2.gz AXGRLTIZGRMCLV-UHFFFAOYSA-N -1 3 357.439 3.090 20 0 FGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@H](CO)CC(C)(C)C)s2)cs1 ZINC000128754890 495145613 /nfs/dbraw/zinc/14/56/13/495145613.db2.gz SXABRHPDIOSOGT-NSHDSACASA-N -1 3 374.553 3.255 20 0 FGADHM Cc1cc(O[C@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)cc2)ccc1Cl ZINC000123608062 495159437 /nfs/dbraw/zinc/15/94/37/495159437.db2.gz AMJTVBCJTJOVHG-LLVKDONJSA-N -1 3 357.801 3.235 20 0 FGADHM Cc1cc(O[C@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)ccc1Cl ZINC000123608062 495159441 /nfs/dbraw/zinc/15/94/41/495159441.db2.gz AMJTVBCJTJOVHG-LLVKDONJSA-N -1 3 357.801 3.235 20 0 FGADHM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccc3c(c2)oc(=O)n3C)c(C)c1C ZINC000102862910 495168186 /nfs/dbraw/zinc/16/81/86/495168186.db2.gz ABUAXPFYQRWVMR-UHFFFAOYSA-N -1 3 374.462 3.474 20 0 FGADHM Cn1ccnc1-c1cc(NC(=O)c2cc(Cl)cc3cccnc32)n[n-]1 ZINC000119472665 495173426 /nfs/dbraw/zinc/17/34/26/495173426.db2.gz RZODFUVXVCAQSP-UHFFFAOYSA-N -1 3 352.785 3.264 20 0 FGADHM Cn1ccnc1-c1cc(NC(=O)c2cc(Cl)cc3cccnc32)[n-]n1 ZINC000119472665 495173428 /nfs/dbraw/zinc/17/34/28/495173428.db2.gz RZODFUVXVCAQSP-UHFFFAOYSA-N -1 3 352.785 3.264 20 0 FGADHM COC(=O)c1cccc(S(=O)(=O)[N-][C@H](c2ccccc2)C(F)(F)F)c1 ZINC000119537688 495186211 /nfs/dbraw/zinc/18/62/11/495186211.db2.gz RTJQMSLDSXJBCE-CQSZACIVSA-N -1 3 373.352 3.055 20 0 FGADHM CCc1ccc([C@H](COC)[N-]S(=O)(=O)C[C@H](C)c2ccccc2)o1 ZINC000119545591 495187588 /nfs/dbraw/zinc/18/75/88/495187588.db2.gz MHFNFBOZGQOFPA-YOEHRIQHSA-N -1 3 351.468 3.253 20 0 FGADHM CCC[C@H](CCO)C[N-]S(=O)(=O)c1cc(Cl)c(OC)cc1Cl ZINC000123826459 495193196 /nfs/dbraw/zinc/19/31/96/495193196.db2.gz GBDBABPHJZDJHZ-SNVBAGLBSA-N -1 3 370.298 3.079 20 0 FGADHM CSCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)Nc1ccc(C)cc1[O-] ZINC000119648636 495208874 /nfs/dbraw/zinc/20/88/74/495208874.db2.gz YGENNVCVIWPMGC-QGZVFWFLSA-N -1 3 372.490 3.499 20 0 FGADHM CCSc1ccc([C@H](C)NC(=O)CCc2c(C)nc(C)[n-]c2=O)cc1 ZINC000103404765 495227625 /nfs/dbraw/zinc/22/76/25/495227625.db2.gz IEGVZSKYQWHCDC-LBPRGKRZSA-N -1 3 359.495 3.309 20 0 FGADHM Cc1nc(C)c(CCC(=O)N(Cc2ccoc2)C2CCCCC2)c(=O)[n-]1 ZINC000129352144 495232934 /nfs/dbraw/zinc/23/29/34/495232934.db2.gz JAKRQCGSJUPLQO-UHFFFAOYSA-N -1 3 357.454 3.274 20 0 FGADHM CC(C)(CO)[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1F)c1ccccc1 ZINC000129366581 495235195 /nfs/dbraw/zinc/23/51/95/495235195.db2.gz QXLUGUYVSGBCTH-OAHLLOKOSA-N -1 3 369.433 3.045 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-]Cc1ccc(F)cc1CSC ZINC000124157038 495243184 /nfs/dbraw/zinc/24/31/84/495243184.db2.gz XPLXEWFPSDLPGK-UHFFFAOYSA-N -1 3 361.485 3.237 20 0 FGADHM CCCCCNC(=O)c1sccc1S(=O)(=O)[N-]Cc1cccs1 ZINC000124213900 495252362 /nfs/dbraw/zinc/25/23/62/495252362.db2.gz KZPZXGKXDRCTFZ-UHFFFAOYSA-N -1 3 372.537 3.208 20 0 FGADHM CC(C)(C)C(=O)Nc1ccccc1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000112890769 495252883 /nfs/dbraw/zinc/25/28/83/495252883.db2.gz XTTJPKWWVUXPJI-UHFFFAOYSA-N -1 3 364.409 3.104 20 0 FGADHM CC(C)(C)C(=O)Nc1ccccc1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000112890769 495252889 /nfs/dbraw/zinc/25/28/89/495252889.db2.gz XTTJPKWWVUXPJI-UHFFFAOYSA-N -1 3 364.409 3.104 20 0 FGADHM CCc1cc(=O)[n-]c(CN2CCC(c3nc(-c4ccccc4)no3)CC2)n1 ZINC000119941166 495274075 /nfs/dbraw/zinc/27/40/75/495274075.db2.gz LWEGQLWTUBNQIF-UHFFFAOYSA-N -1 3 365.437 3.174 20 0 FGADHM Cc1nc(C)c(CCC(=O)N[C@H](c2ccc(F)cc2)C2CCC2)c(=O)[n-]1 ZINC000104425414 495283455 /nfs/dbraw/zinc/28/34/55/495283455.db2.gz RVKVQYRPPYPBIC-IBGZPJMESA-N -1 3 357.429 3.116 20 0 FGADHM O=C(c1ccc2n[n-]nc2c1)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113219091 495284693 /nfs/dbraw/zinc/28/46/93/495284693.db2.gz GWOYITSAWPZHGK-MRXNPFEDSA-N -1 3 372.432 3.368 20 0 FGADHM O=C(CC[N-]S(=O)(=O)c1cccc(Cl)c1Cl)Nc1ccccc1 ZINC000113303243 495294871 /nfs/dbraw/zinc/29/48/71/495294871.db2.gz IOSFTBOREWDMQQ-UHFFFAOYSA-N -1 3 373.261 3.301 20 0 FGADHM O=S(=O)([N-]CCc1cc2ccccc2[nH]1)c1ccc(F)cc1Cl ZINC000135537677 495307951 /nfs/dbraw/zinc/30/79/51/495307951.db2.gz IMSQYMTUJVHUKG-UHFFFAOYSA-N -1 3 352.818 3.481 20 0 FGADHM O=C(Cc1ccc(F)cc1)N1CCC[C@@H](C(=O)Nc2ccc([O-])cc2F)C1 ZINC000124581039 495311080 /nfs/dbraw/zinc/31/10/80/495311080.db2.gz VPFSFNMILNEKEZ-CQSZACIVSA-N -1 3 374.387 3.090 20 0 FGADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1cc2cc(Cl)ccc2o1 ZINC000135561532 495311586 /nfs/dbraw/zinc/31/15/86/495311586.db2.gz CNAQVFUJEVIKQV-UHFFFAOYSA-N -1 3 353.769 3.442 20 0 FGADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1cc2cc(Cl)ccc2o1 ZINC000135561532 495311591 /nfs/dbraw/zinc/31/15/91/495311591.db2.gz CNAQVFUJEVIKQV-UHFFFAOYSA-N -1 3 353.769 3.442 20 0 FGADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1cc(Cl)sc1Cl ZINC000135570765 495313034 /nfs/dbraw/zinc/31/30/34/495313034.db2.gz XQTKQTBLHVTGCE-UHFFFAOYSA-N -1 3 354.222 3.411 20 0 FGADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1cc(Cl)sc1Cl ZINC000135570765 495313037 /nfs/dbraw/zinc/31/30/37/495313037.db2.gz XQTKQTBLHVTGCE-UHFFFAOYSA-N -1 3 354.222 3.411 20 0 FGADHM Cc1nc(C)c(CC(=O)N2CCc3cc(-c4ccccc4)ccc32)c(=O)[n-]1 ZINC000135590042 495315784 /nfs/dbraw/zinc/31/57/84/495315784.db2.gz YFKIUHQNEALATM-UHFFFAOYSA-N -1 3 359.429 3.186 20 0 FGADHM Cc1nn(C)c2ncc(S(=O)(=O)[N-]c3cccc(Cl)c3Cl)cc12 ZINC000135626744 495320317 /nfs/dbraw/zinc/32/03/17/495320317.db2.gz QQEIJRLHPIIJMT-UHFFFAOYSA-N -1 3 371.249 3.384 20 0 FGADHM Cc1ccc([O-])c(CN[C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)n1 ZINC000113960605 495340373 /nfs/dbraw/zinc/34/03/73/495340373.db2.gz OSTLBKXXVLBYPB-AWEZNQCLSA-N -1 3 365.355 3.010 20 0 FGADHM CN(C)[C@@H](CNC(=O)Cc1ccc([O-])cc1Cl)c1cccc(F)c1 ZINC000136060336 495353334 /nfs/dbraw/zinc/35/33/34/495353334.db2.gz CBVRDIHLTPJQFB-KRWDZBQOSA-N -1 3 350.821 3.146 20 0 FGADHM CCCc1ccc(S(=O)(=O)[N-]c2ccc(CN3CCOCC3)cc2)cc1 ZINC000120383802 495365311 /nfs/dbraw/zinc/36/53/11/495365311.db2.gz JDFWLYOOIKUHQS-UHFFFAOYSA-N -1 3 374.506 3.272 20 0 FGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]Cc3ncccc3C)s2)cs1 ZINC000120383548 495365464 /nfs/dbraw/zinc/36/54/64/495365464.db2.gz FOUXFYDNEDTIKQ-UHFFFAOYSA-N -1 3 365.505 3.362 20 0 FGADHM CCOc1ccc(NC(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)c(C)c1 ZINC000124930418 495365909 /nfs/dbraw/zinc/36/59/09/495365909.db2.gz LAORLCLJMWZOIU-UHFFFAOYSA-N -1 3 366.414 3.157 20 0 FGADHM CS(=O)(=O)[N-]c1cc(C(=O)N2CCC[C@]3(CC=CCC3)C2)ccc1F ZINC000114440569 495374183 /nfs/dbraw/zinc/37/41/83/495374183.db2.gz COGIYASPYRAEQV-GOSISDBHSA-N -1 3 366.458 3.160 20 0 FGADHM COc1cc(Cl)c(S(=O)(=O)[N-]Cc2nc(C)cs2)cc1Cl ZINC000105616662 495377311 /nfs/dbraw/zinc/37/73/11/495377311.db2.gz ZRCLQYQEBHGAAR-UHFFFAOYSA-N -1 3 367.279 3.245 20 0 FGADHM COc1cc(C(=O)N2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)ccc1[O-] ZINC000580523585 505778505 /nfs/dbraw/zinc/77/85/05/505778505.db2.gz YOLSJOCEEFIQIY-HNNXBMFYSA-N -1 3 373.371 3.222 20 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/nfs/dbraw/zinc/42/80/75/495428075.db2.gz WYBXNCZZPWHDPM-UHFFFAOYSA-N -1 3 363.421 3.172 20 0 FGADHM CCOc1ccccc1NC(=O)CCSc1n[n-]c(-c2ccccn2)n1 ZINC000120688250 495435747 /nfs/dbraw/zinc/43/57/47/495435747.db2.gz LQIOFYZWOKAJEK-UHFFFAOYSA-N -1 3 369.450 3.386 20 0 FGADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N[C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000120756685 495450841 /nfs/dbraw/zinc/45/08/41/495450841.db2.gz WLRAPDGUTOGAEL-RDTXWAMCSA-N -1 3 363.417 3.103 20 0 FGADHM O=S(=O)([N-]C[C@H](CO)c1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000125481663 495451146 /nfs/dbraw/zinc/45/11/46/495451146.db2.gz NVLWMLPRJSJKKJ-GFCCVEGCSA-N -1 3 360.262 3.048 20 0 FGADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N[C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000120756349 495451241 /nfs/dbraw/zinc/45/12/41/495451241.db2.gz WLRAPDGUTOGAEL-KDOFPFPSSA-N -1 3 363.417 3.103 20 0 FGADHM C[C@@H](C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C[C@H](C)O ZINC000120800601 495459740 /nfs/dbraw/zinc/45/97/40/495459740.db2.gz BUGSIENJSGLDGD-BDAKNGLRSA-N -1 3 359.797 3.044 20 0 FGADHM CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)c1c([O-])cccc1O ZINC000125558745 495463125 /nfs/dbraw/zinc/46/31/25/495463125.db2.gz XHWOWSAASZZPLE-UHFFFAOYSA-N -1 3 369.204 3.115 20 0 FGADHM O=C(CCCc1ccc(F)c(F)c1)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000120815951 495463798 /nfs/dbraw/zinc/46/37/98/495463798.db2.gz BMVKYRFSHKZFAV-UHFFFAOYSA-N -1 3 357.364 3.030 20 0 FGADHM O=C(CCCc1ccc(F)c(F)c1)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000120815951 495463804 /nfs/dbraw/zinc/46/38/04/495463804.db2.gz BMVKYRFSHKZFAV-UHFFFAOYSA-N -1 3 357.364 3.030 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)NC[C@@H]2CCCO[C@@H]2c2ccccc2)c1 ZINC000131001158 495477878 /nfs/dbraw/zinc/47/78/78/495477878.db2.gz OMJNFTAOYRYSAB-OXJNMPFZSA-N -1 3 368.433 3.248 20 0 FGADHM C[C@H](C(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1)c1ccccc1 ZINC000120892049 495479993 /nfs/dbraw/zinc/47/99/93/495479993.db2.gz BYEVMBZJEHXYQH-HNNXBMFYSA-N -1 3 352.434 3.373 20 0 FGADHM Cc1ccc(C(=O)Nc2cccc(C[S@@](=O)C3CCOCC3)c2)c([O-])c1 ZINC000115289673 495485435 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CCc1c[n-]c(S(=O)(=O)Cc2cc(Br)ccc2Cl)n1 ZINC000125775729 495497350 /nfs/dbraw/zinc/49/73/50/495497350.db2.gz OFWHTKDFHYSDEQ-UHFFFAOYSA-N -1 3 363.664 3.362 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000120981400 495497613 /nfs/dbraw/zinc/49/76/13/495497613.db2.gz JDWVONBBOHVHRO-UHFFFAOYSA-N -1 3 357.168 3.093 20 0 FGADHM Cc1ccc(-c2nsc([N-]C(=O)c3cn(CCC(C)C)nn3)n2)s1 ZINC000131176548 495502258 /nfs/dbraw/zinc/50/22/58/495502258.db2.gz MXFFDNASIUGKRP-UHFFFAOYSA-N -1 3 362.484 3.465 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-]Cc1ccccc1OC1CCC1 ZINC000121020628 495504857 /nfs/dbraw/zinc/50/48/57/495504857.db2.gz OLCDZTIIYQEVRI-UHFFFAOYSA-N -1 3 353.465 3.167 20 0 FGADHM COc1cc(C)cc(C(=O)Nc2ccc(CN3CCCC3=O)cc2)c1[O-] ZINC000106908044 495509683 /nfs/dbraw/zinc/50/96/83/495509683.db2.gz GODGSTLYCJKLAS-UHFFFAOYSA-N -1 3 354.406 3.084 20 0 FGADHM CCOc1ccccc1OCCCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000121067623 495516859 /nfs/dbraw/zinc/51/68/59/495516859.db2.gz FMRTYJSGOSDNGI-UHFFFAOYSA-N -1 3 367.409 3.063 20 0 FGADHM CCOc1ccccc1OCCCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000121067623 495516862 /nfs/dbraw/zinc/51/68/62/495516862.db2.gz FMRTYJSGOSDNGI-UHFFFAOYSA-N -1 3 367.409 3.063 20 0 FGADHM CC(=O)Nc1cc(F)c(F)cc1NC(=O)c1cc(-c2ccc(C)o2)[n-]n1 ZINC000170631698 495539735 /nfs/dbraw/zinc/53/97/35/495539735.db2.gz ZIHVVWLRTYAYRI-UHFFFAOYSA-N -1 3 360.320 3.467 20 0 FGADHM CC(=O)Nc1cc(F)c(F)cc1NC(=O)c1cc(-c2ccc(C)o2)n[n-]1 ZINC000170631698 495539742 /nfs/dbraw/zinc/53/97/42/495539742.db2.gz ZIHVVWLRTYAYRI-UHFFFAOYSA-N -1 3 360.320 3.467 20 0 FGADHM Cc1csc([C@@H]([N-]S(=O)(=O)c2ccccc2OC(F)F)C2CC2)n1 ZINC000173463531 495540633 /nfs/dbraw/zinc/54/06/33/495540633.db2.gz BUASCRXDWFJETH-ZDUSSCGKSA-N -1 3 374.434 3.483 20 0 FGADHM COc1cccc(CS(=O)(=O)[N-][C@H](c2ncc(C)s2)C2CC2)c1 ZINC000173490654 495554810 /nfs/dbraw/zinc/55/48/10/495554810.db2.gz KAWXDELYPLTRQC-HNNXBMFYSA-N -1 3 352.481 3.031 20 0 FGADHM O=C(Cc1cncc([O-])c1)N[C@H]1C[C@H](c2ccc(Br)cc2)C1 ZINC000580570247 505789050 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Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)c2ccc3c(c2)C(=O)[N-]C3=O)o1 ZINC000173566814 495591806 /nfs/dbraw/zinc/59/18/06/495591806.db2.gz SIUHFEMHFOSBER-BZNIZROVSA-N -1 3 352.390 3.085 20 0 FGADHM CC(C)c1ccc(-n2cc([O-])c(C(=O)N3C[C@H]4CCCN4C[C@@H]3C)n2)cc1 ZINC000173570336 495593173 /nfs/dbraw/zinc/59/31/73/495593173.db2.gz MXXMOERFQMISBJ-MAUKXSAKSA-N -1 3 368.481 3.010 20 0 FGADHM Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)CCc2c(C)nc(C)[n-]c2=O)o1 ZINC000173573974 495594947 /nfs/dbraw/zinc/59/49/47/495594947.db2.gz NKMFSPZONCIGSW-YVEFUNNKSA-N -1 3 357.454 3.221 20 0 FGADHM C[C@@H]1CN(C(=O)c2ccc(CNCc3cc([O-])cc(F)c3)cc2)C[C@@H](C)O1 ZINC000185491119 495596269 /nfs/dbraw/zinc/59/62/69/495596269.db2.gz VEIWLAVWFYGWKK-HUUCEWRRSA-N -1 3 372.440 3.071 20 0 FGADHM CS(=O)(=O)[N-]c1ccc(C(=O)NC2(c3ccc(F)cc3)CCC2)cc1 ZINC000149636531 495597955 /nfs/dbraw/zinc/59/79/55/495597955.db2.gz CHWXVASCRXKPDN-UHFFFAOYSA-N -1 3 362.426 3.006 20 0 FGADHM Cc1nc(C)c(CCC(=O)N2CCc3sc(Cl)cc3C2)c(=O)[n-]1 ZINC000574521515 505791983 /nfs/dbraw/zinc/79/19/83/505791983.db2.gz WTFICZLXDSCRMM-UHFFFAOYSA-N -1 3 351.859 3.031 20 0 FGADHM COc1ccc(C(=O)N[C@H](C)c2nc(-c3ccncc3)cs2)c([O-])c1 ZINC000154412122 495609205 /nfs/dbraw/zinc/60/92/05/495609205.db2.gz CSWWQIRKZJGXPH-LLVKDONJSA-N -1 3 355.419 3.410 20 0 FGADHM COCc1ccsc1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000182551880 495610884 /nfs/dbraw/zinc/61/08/84/495610884.db2.gz ZZCGERZNFNPBQM-UHFFFAOYSA-N -1 3 356.241 3.293 20 0 FGADHM CCOC(=O)c1nnc([N-]C(=O)c2cc3c(s2)CCCCC3)s1 ZINC000150735531 495617527 /nfs/dbraw/zinc/61/75/27/495617527.db2.gz PKBLOWKKWXAZOC-UHFFFAOYSA-N -1 3 351.453 3.298 20 0 FGADHM CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)CCc2c(C)nc(C)[n-]c2=O)o1 ZINC000173636591 495625924 /nfs/dbraw/zinc/62/59/24/495625924.db2.gz NJRWETNVKWSCFO-SCLBCKFNSA-N -1 3 371.481 3.475 20 0 FGADHM CC(=O)NCc1ccc(C(=O)Nc2cc(Br)ccc2[O-])s1 ZINC000176430422 495648726 /nfs/dbraw/zinc/64/87/26/495648726.db2.gz WKVRLBGTTWBDAE-UHFFFAOYSA-N -1 3 369.240 3.105 20 0 FGADHM C[C@H](NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)c1cc2ccccc2s1 ZINC000170968916 495671236 /nfs/dbraw/zinc/67/12/36/495671236.db2.gz MCIGPZJEWYGDHS-JTQLQIEISA-N -1 3 350.399 3.276 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](C)c2ccccc2-n2cccn2)c1 ZINC000150906034 495676059 /nfs/dbraw/zinc/67/60/59/495676059.db2.gz GDWZKLSLSVOENK-CYBMUJFWSA-N -1 3 364.405 3.027 20 0 FGADHM O=C(N[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1c[n-]c2ccccc2c1=O ZINC000182721006 495676581 /nfs/dbraw/zinc/67/65/81/495676581.db2.gz TVEIRSKRIRNLJC-PKOBYXMFSA-N -1 3 370.355 3.066 20 0 FGADHM CC(C)(C)C(=O)N1CCC[C@H](CSc2n[n-]c(-c3ccccn3)n2)C1 ZINC000577817326 505797194 /nfs/dbraw/zinc/79/71/94/505797194.db2.gz DKXXZXKMUNCNED-ZDUSSCGKSA-N -1 3 359.499 3.244 20 0 FGADHM O=C(NCC1(c2ccc(Cl)cc2)CCOCC1)c1cccc2nn[n-]c21 ZINC000182739712 495684129 /nfs/dbraw/zinc/68/41/29/495684129.db2.gz HUTSDBRHDSSYNL-UHFFFAOYSA-N -1 3 370.840 3.090 20 0 FGADHM O=C(NCC1(c2ccc(Cl)cc2)CCOCC1)c1cccc2[n-]nnc21 ZINC000182739712 495684138 /nfs/dbraw/zinc/68/41/38/495684138.db2.gz HUTSDBRHDSSYNL-UHFFFAOYSA-N -1 3 370.840 3.090 20 0 FGADHM O=C(NCC1(c2ccc(Cl)cc2)CCOCC1)c1cccc2n[n-]nc21 ZINC000182739712 495684142 /nfs/dbraw/zinc/68/41/42/495684142.db2.gz HUTSDBRHDSSYNL-UHFFFAOYSA-N -1 3 370.840 3.090 20 0 FGADHM O=S(=O)([N-][C@@H](c1ccccc1)[C@@H]1CCCO1)c1cc(F)cc(F)c1 ZINC000171041896 495700369 /nfs/dbraw/zinc/70/03/69/495700369.db2.gz YORWYXFLGLGZLV-IRXDYDNUSA-N -1 3 353.390 3.163 20 0 FGADHM CCc1cnc(C[N-]S(=O)(=O)c2ccc(Br)s2)s1 ZINC000173810552 495702121 /nfs/dbraw/zinc/70/21/21/495702121.db2.gz BASUFYNVYUIUQT-UHFFFAOYSA-N -1 3 367.315 3.008 20 0 FGADHM CCc1cnc(C[N-]S(=O)(=O)c2cc3c(c(Cl)c2)O[C@H](C)C3)s1 ZINC000173816197 495704275 /nfs/dbraw/zinc/70/42/75/495704275.db2.gz MPARFWWMEMCFRG-SECBINFHSA-N -1 3 372.899 3.161 20 0 FGADHM O=C(c1ccc(O)cc1[O-])N(CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000182834823 495721295 /nfs/dbraw/zinc/72/12/95/495721295.db2.gz LUUWDHWWAXVXEC-UHFFFAOYSA-N -1 3 370.232 3.429 20 0 FGADHM O=C(C[N-]S(=O)(=O)Cc1ccc(F)cc1)Nc1cccc2ccccc21 ZINC000171107618 495728012 /nfs/dbraw/zinc/72/80/12/495728012.db2.gz FPIUJIYORSGYOD-UHFFFAOYSA-N -1 3 372.421 3.037 20 0 FGADHM CC(C)CCNC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000182893056 495745811 /nfs/dbraw/zinc/74/58/11/495745811.db2.gz QCFUBVACRNLGNF-IBGZPJMESA-N -1 3 354.450 3.416 20 0 FGADHM O=C(N[C@H]1CCCN(c2ccccc2F)C1)c1c[n-]c2ccccc2c1=O ZINC000154913340 495770715 /nfs/dbraw/zinc/77/07/15/495770715.db2.gz PUSCVVLIEPPOAP-AWEZNQCLSA-N -1 3 365.408 3.066 20 0 FGADHM COCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000171278625 495802878 /nfs/dbraw/zinc/80/28/78/495802878.db2.gz NIWSWSPXYKBESD-UHFFFAOYSA-N -1 3 362.451 3.079 20 0 FGADHM CC(C)[C@@H](O)C(C)(C)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000155015181 495803931 /nfs/dbraw/zinc/80/39/31/495803931.db2.gz GFRFKDABKJJZJJ-CYBMUJFWSA-N -1 3 354.299 3.315 20 0 FGADHM O=C(c1ccc2c(c1[O-])CCCC2)N(C[C@H]1CCCO1)[C@H]1CCSC1 ZINC000185973871 495805170 /nfs/dbraw/zinc/80/51/70/495805170.db2.gz XWQJXIDZXNGOOL-JKSUJKDBSA-N -1 3 361.507 3.398 20 0 FGADHM O=C([O-])[C@@H](c1cccc(Br)c1)N1CCOC[C@H](C2CCC2)C1 ZINC000577856608 505806251 /nfs/dbraw/zinc/80/62/51/505806251.db2.gz DCNZMWOFSYCMMG-GDBMZVCRSA-N -1 3 368.271 3.323 20 0 FGADHM C[C@H]1CCCCN1C(=O)c1ccc([N-]S(=O)(=O)C2CC2)cc1Cl ZINC000171336950 495827139 /nfs/dbraw/zinc/82/71/39/495827139.db2.gz DCKZYYAPBJJXHJ-NSHDSACASA-N -1 3 356.875 3.259 20 0 FGADHM CCOC(=O)c1nnc([N-]C(=O)c2sc(C3CCCC3)nc2C)s1 ZINC000155106499 495839022 /nfs/dbraw/zinc/83/90/22/495839022.db2.gz DSCIVWZTNKLZPZ-UHFFFAOYSA-N -1 3 366.468 3.390 20 0 FGADHM CC[C@](C)([N-]S(=O)(=O)c1ccccc1OC(F)F)c1nccs1 ZINC000151452759 495844842 /nfs/dbraw/zinc/84/48/42/495844842.db2.gz VYGQHKNWBFHFFS-AWEZNQCLSA-N -1 3 362.423 3.348 20 0 FGADHM O=C(Cc1cncc([O-])c1)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000580658052 505807611 /nfs/dbraw/zinc/80/76/11/505807611.db2.gz HUCYUEXFUKXXFL-LLVKDONJSA-N -1 3 371.384 3.211 20 0 FGADHM C[C@@]1(C(=O)NCc2ccc([O-])c(F)c2)CCCN(C(=O)c2ccccc2)C1 ZINC000174210392 495865982 /nfs/dbraw/zinc/86/59/82/495865982.db2.gz VKRXFYNLSUAXRE-OAQYLSRUSA-N -1 3 370.424 3.090 20 0 FGADHM O=C(c1cc(OCc2ccccc2)ccc1[O-])N1CC[C@]2(CCOC2)C1 ZINC000155196590 495871073 /nfs/dbraw/zinc/87/10/73/495871073.db2.gz BQGXYFVIOXRSBX-NRFANRHFSA-N -1 3 353.418 3.224 20 0 FGADHM C[C@H](Oc1ccccc1)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000151565046 495879959 /nfs/dbraw/zinc/87/99/59/495879959.db2.gz ISDCNMWUPLBSIA-NSHDSACASA-N -1 3 350.212 3.238 20 0 FGADHM CC(C)n1cnnc1[C@@H]1CCCN(C(=O)c2ccc3c(c2[O-])CCCC3)C1 ZINC000186183940 495888508 /nfs/dbraw/zinc/88/85/08/495888508.db2.gz KPTVEXWRAYNBAG-MRXNPFEDSA-N -1 3 368.481 3.463 20 0 FGADHM CSCCCCCNC(=O)NCc1ccc([O-])c(Br)c1 ZINC000186186744 495889503 /nfs/dbraw/zinc/88/95/03/495889503.db2.gz JFBVELCGQUYIGJ-UHFFFAOYSA-N -1 3 361.305 3.487 20 0 FGADHM O=C([O-])c1ccc(OCCN2CC[C@@H](C3CCOCC3)C2)c(Cl)c1 ZINC000577878339 505810409 /nfs/dbraw/zinc/81/04/09/505810409.db2.gz 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355.419 3.201 20 0 FGADHM Cc1ccc(NC(=O)c2cccc3nn[n-]c32)c(OC[C@H]2CCCO2)c1 ZINC000183475003 496000702 /nfs/dbraw/zinc/00/07/02/496000702.db2.gz KJPPUEBFAYBXSF-CYBMUJFWSA-N -1 3 352.394 3.076 20 0 FGADHM Cc1ccc(NC(=O)c2cccc3[n-]nnc32)c(OC[C@H]2CCCO2)c1 ZINC000183475003 496000708 /nfs/dbraw/zinc/00/07/08/496000708.db2.gz KJPPUEBFAYBXSF-CYBMUJFWSA-N -1 3 352.394 3.076 20 0 FGADHM Cc1ccc(NC(=O)c2cccc3n[n-]nc32)c(OC[C@H]2CCCO2)c1 ZINC000183475003 496000717 /nfs/dbraw/zinc/00/07/17/496000717.db2.gz KJPPUEBFAYBXSF-CYBMUJFWSA-N -1 3 352.394 3.076 20 0 FGADHM O=S(=O)(Cc1ccc(F)cc1)[N-][C@H](c1nccs1)c1ccccc1 ZINC000171713438 496002214 /nfs/dbraw/zinc/00/22/14/496002214.db2.gz NZYZVSPIJMHYAU-INIZCTEOSA-N -1 3 362.451 3.491 20 0 FGADHM CN(Cc1nc(=O)c2c(-c3ccccc3)csc2[n-]1)CC1(O)CCCC1 ZINC000151995227 496016821 /nfs/dbraw/zinc/01/68/21/496016821.db2.gz FAUUKFUBDASRBO-UHFFFAOYSA-N -1 3 369.490 3.389 20 0 FGADHM C[C@H]1Sc2ccc(C(=O)N3CCCc4cccc([O-])c43)cc2NC1=O ZINC000155651308 496025178 /nfs/dbraw/zinc/02/51/78/496025178.db2.gz WARIZBAGOGCSOP-LLVKDONJSA-N -1 3 354.431 3.418 20 0 FGADHM CN(C)C(=O)C1CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])CC1 ZINC000177390426 496043185 /nfs/dbraw/zinc/04/31/85/496043185.db2.gz JSKFDLGZBOHOCY-UHFFFAOYSA-N -1 3 368.433 3.125 20 0 FGADHM O=C(Cc1csc(NC(=O)c2cccc([O-])c2)n1)NCCC1CCCC1 ZINC000177395670 496045208 /nfs/dbraw/zinc/04/52/08/496045208.db2.gz YQPZCEMCUITARD-UHFFFAOYSA-N -1 3 373.478 3.340 20 0 FGADHM O=C(Cc1csc(NC(=O)c2cccc([O-])c2)n1)NC[C@H]1CC=CCC1 ZINC000177402135 496047656 /nfs/dbraw/zinc/04/76/56/496047656.db2.gz SZDYDPSPGSUFII-ZDUSSCGKSA-N -1 3 371.462 3.116 20 0 FGADHM CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)c2cccc3nn[n-]c32)c1 ZINC000183630498 496054547 /nfs/dbraw/zinc/05/45/47/496054547.db2.gz VMEJVCRTULETTI-VWLOTQADSA-N -1 3 356.451 3.257 20 0 FGADHM CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)c2cccc3[n-]nnc32)c1 ZINC000183630498 496054551 /nfs/dbraw/zinc/05/45/51/496054551.db2.gz VMEJVCRTULETTI-VWLOTQADSA-N -1 3 356.451 3.257 20 0 FGADHM CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)c2cccc3n[n-]nc32)c1 ZINC000183630498 496054555 /nfs/dbraw/zinc/05/45/55/496054555.db2.gz VMEJVCRTULETTI-VWLOTQADSA-N -1 3 356.451 3.257 20 0 FGADHM O=C(NC1CCN(CCc2ccccc2)CC1)c1cc(F)c([O-])c(F)c1 ZINC000186604672 496068909 /nfs/dbraw/zinc/06/89/09/496068909.db2.gz DMIVLWBLDCKCBF-UHFFFAOYSA-N -1 3 360.404 3.107 20 0 FGADHM NC[C@H]1CCCCN1Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[n-]1 ZINC000574637846 505821299 /nfs/dbraw/zinc/82/12/99/505821299.db2.gz ICAFIJBYFCNKKO-CQSZACIVSA-N -1 3 372.469 3.104 20 0 FGADHM COc1ccc([O-])c(C(=O)Nc2ccccc2-c2nncn2C(C)C)c1 ZINC000177494669 496085392 /nfs/dbraw/zinc/08/53/92/496085392.db2.gz YFZQAACCVBPEKL-UHFFFAOYSA-N -1 3 352.394 3.493 20 0 FGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)[C@@H]2C[C@@]23CCc2ccccc23)c1 ZINC000174747536 496088111 /nfs/dbraw/zinc/08/81/11/496088111.db2.gz KRNQJFXFEFZNTH-OXJNMPFZSA-N -1 3 370.474 3.209 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-]Cc1cccc(OCC(C)C)c1 ZINC000155857971 496089537 /nfs/dbraw/zinc/08/95/37/496089537.db2.gz RQPZCBQIMHJJPZ-UHFFFAOYSA-N -1 3 355.481 3.270 20 0 FGADHM Cc1ccc(-c2cc(C(=O)Nc3ccccc3SCCC(N)=O)n[n-]2)o1 ZINC000171926752 496095054 /nfs/dbraw/zinc/09/50/54/496095054.db2.gz IWWILJCWZFRQTP-UHFFFAOYSA-N -1 3 370.434 3.198 20 0 FGADHM Cc1ccc(-c2cc(C(=O)Nc3ccccc3SCCC(N)=O)[n-]n2)o1 ZINC000171926752 496095058 /nfs/dbraw/zinc/09/50/58/496095058.db2.gz IWWILJCWZFRQTP-UHFFFAOYSA-N -1 3 370.434 3.198 20 0 FGADHM COc1ccc(-c2nnc(S[C@@H](C)c3nc(C)cc(=O)[n-]3)n2C)cc1 ZINC000155894003 496100271 /nfs/dbraw/zinc/10/02/71/496100271.db2.gz OUNOYUDYMFLWRY-NSHDSACASA-N -1 3 357.439 3.148 20 0 FGADHM CN(C(=O)c1ccccc1[O-])[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000186678564 496104084 /nfs/dbraw/zinc/10/40/84/496104084.db2.gz YOODTBKNOYPTAV-HOTGVXAUSA-N -1 3 352.217 3.429 20 0 FGADHM O=C(CSc1nc2ccccc2c(=O)n1C1CC1)Nc1ccccc1[O-] ZINC000180685621 496104190 /nfs/dbraw/zinc/10/41/90/496104190.db2.gz OJVGLSGWIXFHCP-UHFFFAOYSA-N -1 3 367.430 3.168 20 0 FGADHM Cc1ccc(S(=O)(=O)CCCSc2n[n-]c(-c3ccccn3)n2)cc1 ZINC000180695556 496107117 /nfs/dbraw/zinc/10/71/17/496107117.db2.gz SXCFKSSDLMTZKC-UHFFFAOYSA-N -1 3 374.491 3.131 20 0 FGADHM CN(C[C@@H]1CCCOC1)C(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000186744139 496133016 /nfs/dbraw/zinc/13/30/16/496133016.db2.gz HZIVSMMWDCJYRM-HNNXBMFYSA-N -1 3 353.418 3.122 20 0 FGADHM O=S(=O)([N-]CCc1ccccc1OC(F)(F)F)c1cccs1 ZINC000152384939 496135562 /nfs/dbraw/zinc/13/55/62/496135562.db2.gz OXPGISHYSLMNRR-UHFFFAOYSA-N -1 3 351.371 3.168 20 0 FGADHM CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-]Cc1ccc(C(F)F)cc1 ZINC000183852639 496137078 /nfs/dbraw/zinc/13/70/78/496137078.db2.gz WGSDGLJGQFNTKI-UHFFFAOYSA-N -1 3 373.377 3.045 20 0 FGADHM CCOCCON=C([O-])Nc1ccc(N2CCc3sccc3C2)cc1 ZINC000186770489 496142887 /nfs/dbraw/zinc/14/28/87/496142887.db2.gz OKDJVPNNRLVOPU-UHFFFAOYSA-N -1 3 361.467 3.400 20 0 FGADHM CCOCCO[N-]C(=O)Nc1ccc(N2CCc3sccc3C2)cc1 ZINC000186770489 496142892 /nfs/dbraw/zinc/14/28/92/496142892.db2.gz OKDJVPNNRLVOPU-UHFFFAOYSA-N -1 3 361.467 3.400 20 0 FGADHM C[C@@H](CNC(=O)c1ccc(O)cc1[O-])Oc1ccccc1Br ZINC000177648829 496146592 /nfs/dbraw/zinc/14/65/92/496146592.db2.gz PFWITBHJGXXKJY-JTQLQIEISA-N -1 3 366.211 3.058 20 0 FGADHM CC(=O)N[C@H](CC(=O)Nc1cc(F)ccc1[O-])c1c(F)cccc1F ZINC000174899954 496154562 /nfs/dbraw/zinc/15/45/62/496154562.db2.gz AWJNAMKVBPUIFF-CQSZACIVSA-N -1 3 352.312 3.016 20 0 FGADHM CCOc1ccccc1[C@H](CC(=O)Nc1cc(F)ccc1[O-])NC(C)=O ZINC000174900101 496154672 /nfs/dbraw/zinc/15/46/72/496154672.db2.gz ANZXSFJCLXKYRF-HNNXBMFYSA-N -1 3 360.385 3.136 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)NCc1cccnc1OC1CCCC1 ZINC000156130753 496166292 /nfs/dbraw/zinc/16/62/92/496166292.db2.gz AAYKJNZLSWIYGS-UHFFFAOYSA-N -1 3 359.401 3.247 20 0 FGADHM O=C(CSc1n[n-]c(COc2ccc(Cl)cc2)n1)[C@H]1CCCOC1 ZINC000183959520 496178401 /nfs/dbraw/zinc/17/84/01/496178401.db2.gz LOWJKZZKFPOQAB-NSHDSACASA-N -1 3 367.858 3.125 20 0 FGADHM CCCCc1nc(CS(=O)(=O)c2nc(C)c(-c3ccccc3)[n-]2)no1 ZINC000186847163 496178564 /nfs/dbraw/zinc/17/85/64/496178564.db2.gz CNWOHDHCBLPALF-UHFFFAOYSA-N -1 3 360.439 3.085 20 0 FGADHM CCCCc1nc(CS(=O)(=O)c2nc(-c3ccccc3)c(C)[n-]2)no1 ZINC000186847163 496178569 /nfs/dbraw/zinc/17/85/69/496178569.db2.gz CNWOHDHCBLPALF-UHFFFAOYSA-N -1 3 360.439 3.085 20 0 FGADHM Cn1cc([C@@H](NC(=O)Cc2ccc([O-])cc2Cl)c2ccc(F)cc2)cn1 ZINC000186852265 496180859 /nfs/dbraw/zinc/18/08/59/496180859.db2.gz VMHZXLGEYCDQAK-IBGZPJMESA-N -1 3 373.815 3.367 20 0 FGADHM CC[C@@H](C(=O)Nc1ccc(F)c([N-]S(C)(=O)=O)c1)c1ccc(F)cc1 ZINC000183982725 496187771 /nfs/dbraw/zinc/18/77/71/496187771.db2.gz CNKIHDDGAGBQHL-CQSZACIVSA-N -1 3 368.405 3.469 20 0 FGADHM CCOC(=O)c1cc(NC(=O)CCc2ncc(-c3ccc(C)cc3)o2)n[n-]1 ZINC000180937605 496207025 /nfs/dbraw/zinc/20/70/25/496207025.db2.gz LCHDUIWECPSNAS-UHFFFAOYSA-N -1 3 368.393 3.121 20 0 FGADHM CCOC(=O)c1cc(NC(=O)CCc2ncc(-c3ccc(C)cc3)o2)[n-]n1 ZINC000180937605 496207030 /nfs/dbraw/zinc/20/70/30/496207030.db2.gz LCHDUIWECPSNAS-UHFFFAOYSA-N -1 3 368.393 3.121 20 0 FGADHM CC[C@@H](OC1CCCCC1)C(=O)Nc1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000177819751 496209112 /nfs/dbraw/zinc/20/91/12/496209112.db2.gz NALBSIKTRSDZAT-MRXNPFEDSA-N -1 3 372.462 3.264 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)C1CCN(C(=O)Nc2ccccc2)CC1 ZINC000156296993 496209367 /nfs/dbraw/zinc/20/93/67/496209367.db2.gz YRXKSHIDMFVFCI-UHFFFAOYSA-N -1 3 371.412 3.092 20 0 FGADHM COc1ccc([C@@H](C)CCNC(=O)c2c[n-]nc2-c2ccccn2)cc1 ZINC000574681507 505830738 /nfs/dbraw/zinc/83/07/38/505830738.db2.gz ALDUUENIXDCOLQ-AWEZNQCLSA-N -1 3 350.422 3.404 20 0 FGADHM C[C@@H](CCC1CCCCC1)NC(=O)c1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000177860900 496228121 /nfs/dbraw/zinc/22/81/21/496228121.db2.gz VLHOOGOHBIPYGM-QKKBWIMNSA-N -1 3 371.481 3.220 20 0 FGADHM COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[S@@](=O)c1cccc([O-])c1 ZINC000184076920 496228472 /nfs/dbraw/zinc/22/84/72/496228472.db2.gz SCORZVHHCICOSU-APXPCNQMSA-N -1 3 367.854 3.497 20 0 FGADHM Cc1ncsc1CCSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000172292033 496243849 /nfs/dbraw/zinc/24/38/49/496243849.db2.gz QROAZMNWYNOGDJ-UHFFFAOYSA-N -1 3 369.475 3.209 20 0 FGADHM O=S(=O)(C[C@H]1CCCO1)[N-]c1cccc(COC2CCCCC2)c1 ZINC000172367555 496270868 /nfs/dbraw/zinc/27/08/68/496270868.db2.gz CMEBFTFYELVCIM-GOSISDBHSA-N -1 3 353.484 3.457 20 0 FGADHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)CN(C)C(=O)N3)c(C)c1 ZINC000187064255 496276714 /nfs/dbraw/zinc/27/67/14/496276714.db2.gz UEUDHGOYQKLWAI-UHFFFAOYSA-N -1 3 359.451 3.390 20 0 FGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H]1CCCc2sccc21 ZINC000161999916 496277506 /nfs/dbraw/zinc/27/75/06/496277506.db2.gz CVOLDDZCYQBDHO-LBPRGKRZSA-N -1 3 369.439 3.030 20 0 FGADHM O=C(c1ccccc1[O-])N1CCC[C@@H]1C(=O)N1CC2(CC2)c2ccccc21 ZINC000172409572 496287077 /nfs/dbraw/zinc/28/70/77/496287077.db2.gz MYKBWTHUYJSYHZ-GOSISDBHSA-N -1 3 362.429 3.075 20 0 FGADHM CNC(=O)c1ccc([N-]S(=O)(=O)Cc2ccc(C)c(F)c2)c(Cl)c1 ZINC000184212963 496288476 /nfs/dbraw/zinc/28/84/76/496288476.db2.gz JBHQZBSMEAPUIB-UHFFFAOYSA-N -1 3 370.833 3.089 20 0 FGADHM O=C([N-]OCc1ccc(F)cc1)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000184231361 496296722 /nfs/dbraw/zinc/29/67/22/496296722.db2.gz ZXKQCDFLYLAOKG-INIZCTEOSA-N -1 3 371.412 3.318 20 0 FGADHM CCCc1nc(C)c(C(=O)[N-]c2nnc(CCCC(=O)OC)s2)s1 ZINC000172486560 496314448 /nfs/dbraw/zinc/31/44/48/496314448.db2.gz ZAJDDOGPEJXGIH-UHFFFAOYSA-N -1 3 368.484 3.004 20 0 FGADHM COC(=O)c1csc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)c1 ZINC000162309796 496333482 /nfs/dbraw/zinc/33/34/82/496333482.db2.gz VUNGOGWKHZTJGV-UHFFFAOYSA-N -1 3 360.366 3.076 20 0 FGADHM Cc1cccc(S(=O)(=O)[N-][C@H](c2nc(C3CC3)no2)C(C)C)c1F ZINC000181268988 496334362 /nfs/dbraw/zinc/33/43/62/496334362.db2.gz VDNPAXWHHCRXMC-AWEZNQCLSA-N -1 3 353.419 3.070 20 0 FGADHM CC1(C)CCC[C@@H](CC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)C1 ZINC000156806325 496338517 /nfs/dbraw/zinc/33/85/17/496338517.db2.gz IENIXSUBFULEMB-INIZCTEOSA-N -1 3 358.482 3.283 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)N1CCO[C@H](c2ccc(F)cc2F)C1 ZINC000187211881 496341982 /nfs/dbraw/zinc/34/19/82/496341982.db2.gz GHPNJYFSTVSOAI-KRWDZBQOSA-N -1 3 366.339 3.093 20 0 FGADHM O=C([O-])[C@H](CSCCOc1ccccc1)NCc1ccc(F)cc1F ZINC000578003393 505838690 /nfs/dbraw/zinc/83/86/90/505838690.db2.gz NIIHECADUFYSIS-KRWDZBQOSA-N -1 3 367.417 3.320 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)[C@@H](C)Sc3ccccc3)[n-]c21 ZINC000162441986 496353525 /nfs/dbraw/zinc/35/35/25/496353525.db2.gz RPIOKYWDJBBVCA-LLVKDONJSA-N -1 3 355.419 3.469 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@@H](C)Sc3ccccc3)nc21 ZINC000162441986 496353531 /nfs/dbraw/zinc/35/35/31/496353531.db2.gz RPIOKYWDJBBVCA-LLVKDONJSA-N -1 3 355.419 3.469 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)[C@@H](C)Cc3ccc(OC)cc3)[n-]c21 ZINC000162447970 496354101 /nfs/dbraw/zinc/35/41/01/496354101.db2.gz GZPKJJCYWDFVIW-LBPRGKRZSA-N -1 3 367.405 3.175 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@@H](C)Cc3ccc(OC)cc3)nc21 ZINC000162447970 496354104 /nfs/dbraw/zinc/35/41/04/496354104.db2.gz GZPKJJCYWDFVIW-LBPRGKRZSA-N -1 3 367.405 3.175 20 0 FGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1C[C@@H](C)CCC[C@@H]1C ZINC000172615303 496363818 /nfs/dbraw/zinc/36/38/18/496363818.db2.gz ASRKSWMPWVMTFW-GJZGRUSLSA-N -1 3 368.481 3.110 20 0 FGADHM CC(C)(C)[C@H]([N-]S(C)(=O)=O)C(=O)Nc1cccc(-c2cccs2)c1 ZINC000178196945 496366746 /nfs/dbraw/zinc/36/67/46/496366746.db2.gz YEQSREPIKFDNCQ-OAHLLOKOSA-N -1 3 366.508 3.318 20 0 FGADHM CC[C@H](CC(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccc(OC)cc1 ZINC000153193170 496379207 /nfs/dbraw/zinc/37/92/07/496379207.db2.gz JGEXUWBBDBCKRL-CYBMUJFWSA-N -1 3 351.410 3.398 20 0 FGADHM CC[C@H](CC(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccc(OC)cc1 ZINC000153193170 496379210 /nfs/dbraw/zinc/37/92/10/496379210.db2.gz JGEXUWBBDBCKRL-CYBMUJFWSA-N -1 3 351.410 3.398 20 0 FGADHM CC[C@@](C)([N-]S(=O)(=O)c1cnc(-c2ccccc2)nc1)c1nccs1 ZINC000187314507 496389694 /nfs/dbraw/zinc/38/96/94/496389694.db2.gz FJCGQBHUJMAFJK-QGZVFWFLSA-N -1 3 374.491 3.204 20 0 FGADHM CCOC(=O)CC[C@H](C)NC(=O)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000187387935 496421256 /nfs/dbraw/zinc/42/12/56/496421256.db2.gz FCZDHIQEUKKQAL-VIFPVBQESA-N -1 3 355.847 3.253 20 0 FGADHM CC1(C)[C@H]([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)[C@H]2CCO[C@@H]21 ZINC000153346013 496426478 /nfs/dbraw/zinc/42/64/78/496426478.db2.gz WBCKYIADXRBFQV-WQAKAFBOSA-N -1 3 350.267 3.085 20 0 FGADHM COc1cc(C(=O)N2CCC(c3nc(C)cs3)CC2)cc(OC)c1[O-] ZINC000162866587 496425752 /nfs/dbraw/zinc/42/57/52/496425752.db2.gz LSXZMRABDQBUDT-UHFFFAOYSA-N -1 3 362.451 3.194 20 0 FGADHM COc1ccccc1[C@@H](NC(=O)/N=c1\cc[n-]n1C(C)C)c1ccco1 ZINC000178390724 496438597 /nfs/dbraw/zinc/43/85/97/496438597.db2.gz DKPQLHSVKGKOQF-DTBMRADHSA-N -1 3 354.410 3.399 20 0 FGADHM CC[C@](C)([N-]S(=O)(=O)c1cc(OC)cc(OC)c1)c1nc(C)cs1 ZINC000178420503 496450591 /nfs/dbraw/zinc/45/05/91/496450591.db2.gz VZNCMGXKZUBJKL-INIZCTEOSA-N -1 3 370.496 3.072 20 0 FGADHM O=C(Cc1ccc([O-])cc1Cl)NCCOc1ccc(C(F)(F)F)cn1 ZINC000163021795 496451745 /nfs/dbraw/zinc/45/17/45/496451745.db2.gz GUPKLYGSTLIIHJ-UHFFFAOYSA-N -1 3 374.746 3.197 20 0 FGADHM C[C@H](NCc1nc2c3ccccc3oc2c(=O)[n-]1)[C@H]1COc2ccccc21 ZINC000163061849 496458844 /nfs/dbraw/zinc/45/88/44/496458844.db2.gz CEGAWFZGORJGFZ-SWLSCSKDSA-N -1 3 361.401 3.324 20 0 FGADHM COc1ccc([O-])c(C(=O)N[C@H](C)c2nc(-c3cccc(F)c3)no2)c1 ZINC000175601307 496459266 /nfs/dbraw/zinc/45/92/66/496459266.db2.gz YIVLYZKRYVISLO-SNVBAGLBSA-N -1 3 357.341 3.081 20 0 FGADHM O=S(=O)(Cc1ccccc1F)[N-][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000181592149 496460064 /nfs/dbraw/zinc/46/00/64/496460064.db2.gz DUEVGYUVPIECDK-IAGOWNOFSA-N -1 3 369.845 3.429 20 0 FGADHM O=S(=O)([N-][C@@H]1CCO[C@H]1c1ccc(Cl)cc1)c1ccc(F)cc1F ZINC000181590688 496460241 /nfs/dbraw/zinc/46/02/41/496460241.db2.gz FMHFGASQGWIFJR-ZBFHGGJFSA-N -1 3 373.808 3.427 20 0 FGADHM O=C(CNC(=O)c1ccccc1OC(F)F)Nc1ccc(Cl)cc1[O-] ZINC000153462697 496463329 /nfs/dbraw/zinc/46/33/29/496463329.db2.gz QGGXVWNRUHEXFG-UHFFFAOYSA-N -1 3 370.739 3.016 20 0 FGADHM COc1c(Br)c(C)sc1C(=O)[N-]c1n[nH]c(C2CCC2)n1 ZINC000184622774 496468050 /nfs/dbraw/zinc/46/80/50/496468050.db2.gz UXFGHNURYKWQQN-UHFFFAOYSA-N -1 3 371.260 3.466 20 0 FGADHM CC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3cccc(F)c3Cl)cc21 ZINC000574745631 505846072 /nfs/dbraw/zinc/84/60/72/505846072.db2.gz KASCBGQCJZNNDZ-UHFFFAOYSA-N -1 3 368.817 3.189 20 0 FGADHM COC(=O)c1ccc(F)c([N-]S(=O)(=O)c2cc(C)c(F)c(C)c2)c1 ZINC000172883673 496475144 /nfs/dbraw/zinc/47/51/44/496475144.db2.gz UBHHOPBEXABBKS-UHFFFAOYSA-N -1 3 355.362 3.169 20 0 FGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CCCc2occc21 ZINC000178505415 496480495 /nfs/dbraw/zinc/48/04/95/496480495.db2.gz HHPUENAVZJCZGU-ZDUSSCGKSA-N -1 3 369.826 3.076 20 0 FGADHM COC(=O)c1cc(Br)cc([N-]C(=O)c2cc(C)on2)c1Cl ZINC000157462873 496481280 /nfs/dbraw/zinc/48/12/80/496481280.db2.gz JUWZRJQPWZPJFV-UHFFFAOYSA-N -1 3 373.590 3.438 20 0 FGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@@H]1CCC[C@H]1c1ccccc1 ZINC000157489605 496487740 /nfs/dbraw/zinc/48/77/40/496487740.db2.gz FDZHVZODONOMKN-UONOGXRCSA-N -1 3 365.476 3.149 20 0 FGADHM COc1cc(NC([O-])=NOCCC(F)(F)F)ccc1Br ZINC000157536353 496498174 /nfs/dbraw/zinc/49/81/74/496498174.db2.gz XOAVAJCMUVHQLF-UHFFFAOYSA-N -1 3 357.126 3.463 20 0 FGADHM COc1cc(NC(=O)[N-]OCCC(F)(F)F)ccc1Br ZINC000157536353 496498181 /nfs/dbraw/zinc/49/81/81/496498181.db2.gz XOAVAJCMUVHQLF-UHFFFAOYSA-N -1 3 357.126 3.463 20 0 FGADHM Cc1cc(F)c(S(=O)(=O)[N-][C@H]2CCO[C@H](c3ccccc3)C2)cc1F ZINC000163321193 496499023 /nfs/dbraw/zinc/49/90/23/496499023.db2.gz YUZRZKXWXWAYAU-YOEHRIQHSA-N -1 3 367.417 3.472 20 0 FGADHM O=S(=O)([N-][C@@H]1CCO[C@H](c2ccccc2)C1)c1cc(F)cc(F)c1 ZINC000163397799 496510639 /nfs/dbraw/zinc/51/06/39/496510639.db2.gz YZXQHQPKIIWQKO-WBVHZDCISA-N -1 3 353.390 3.163 20 0 FGADHM COc1cccc(C(=O)NCCc2nc3ccccc3n2C(C)C)c1[O-] ZINC000175716401 496512551 /nfs/dbraw/zinc/51/25/51/496512551.db2.gz FCGPXKAVFDIYKT-UHFFFAOYSA-N -1 3 353.422 3.304 20 0 FGADHM O=S(=O)([N-]Cc1ccc(CO)c(F)c1)c1cccc(Cl)c1Cl ZINC000178627871 496521778 /nfs/dbraw/zinc/52/17/78/496521778.db2.gz ZWARWDQDCOSWFC-UHFFFAOYSA-N -1 3 364.225 3.103 20 0 FGADHM COC(=O)c1ccc(C(F)(F)F)cc1NC([O-])=NOCCC(F)(F)F ZINC000157661665 496525038 /nfs/dbraw/zinc/52/50/38/496525038.db2.gz NJGBOEITTKYOIB-UHFFFAOYSA-N -1 3 374.237 3.498 20 0 FGADHM COC(=O)c1ccc(C(F)(F)F)cc1NC(=O)[N-]OCCC(F)(F)F ZINC000157661665 496525042 /nfs/dbraw/zinc/52/50/42/496525042.db2.gz NJGBOEITTKYOIB-UHFFFAOYSA-N -1 3 374.237 3.498 20 0 FGADHM Cc1sc(CCNC(=O)c2ccc3n[n-]nc3c2)nc1-c1ccccc1 ZINC000175756029 496530518 /nfs/dbraw/zinc/53/05/18/496530518.db2.gz FHFXYDVAXHURKJ-UHFFFAOYSA-N -1 3 363.446 3.362 20 0 FGADHM Cc1nccn1-c1ccc(CNC(=O)NCc2ccc([O-])c(F)c2)cc1F ZINC000157718818 496537873 /nfs/dbraw/zinc/53/78/73/496537873.db2.gz AFKFTNMQYWLBSA-UHFFFAOYSA-N -1 3 372.375 3.164 20 0 FGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]C(C)(C)c1cccc(C)c1 ZINC000157744633 496543536 /nfs/dbraw/zinc/54/35/36/496543536.db2.gz LSZJIPHKMCNUKU-UHFFFAOYSA-N -1 3 365.426 3.134 20 0 FGADHM CC(C)=C(F)C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000178708027 496547294 /nfs/dbraw/zinc/54/72/94/496547294.db2.gz XQRAUGMRLGBBBF-UHFFFAOYSA-N -1 3 354.809 3.486 20 0 FGADHM CCCN(CC(=O)OC)Cc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000178719481 496550611 /nfs/dbraw/zinc/55/06/11/496550611.db2.gz WZGGSXCFDPUCAF-UHFFFAOYSA-N -1 3 371.462 3.037 20 0 FGADHM CN(C)c1ccc([N-]S(=O)(=O)Cc2ccccc2C(F)(F)F)nc1 ZINC000187743027 496553678 /nfs/dbraw/zinc/55/36/78/496553678.db2.gz GHZPDVRRHPMZJI-UHFFFAOYSA-N -1 3 359.373 3.108 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)N1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000163789258 496558841 /nfs/dbraw/zinc/55/88/41/496558841.db2.gz CKHQSSFYSBHORM-MRXNPFEDSA-N -1 3 372.396 3.349 20 0 FGADHM CSc1ccc(S(=O)(=O)[N-]c2cc(C(N)=O)ccc2F)cc1Cl ZINC000184865539 496563796 /nfs/dbraw/zinc/56/37/96/496563796.db2.gz FGTNESSPTYMDBL-UHFFFAOYSA-N -1 3 374.846 3.101 20 0 FGADHM O=S(=O)(C[C@@H]1CCCO1)[N-]c1ccc(Sc2ccncc2)cc1 ZINC000178802721 496576651 /nfs/dbraw/zinc/57/66/51/496576651.db2.gz WYMBHWYQEJMIAJ-AWEZNQCLSA-N -1 3 350.465 3.154 20 0 FGADHM CCCN(CC(=O)[O-])Cc1cc(Br)ccc1OC(F)F ZINC000184909418 496582096 /nfs/dbraw/zinc/58/20/96/496582096.db2.gz MDHAWJBQDGVHMC-UHFFFAOYSA-N -1 3 352.175 3.347 20 0 FGADHM CCc1nc(C)c(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)o1 ZINC000571950134 505853161 /nfs/dbraw/zinc/85/31/61/505853161.db2.gz LJCVWDRYMFPMEB-UHFFFAOYSA-N -1 3 354.375 3.104 20 0 FGADHM CO[C@@H](CS(=O)(=O)[N-]c1cccc(-c2nc(C)c(C)o2)c1)C1CC1 ZINC000569103275 505853522 /nfs/dbraw/zinc/85/35/22/505853522.db2.gz AIRKXDRAPGOBEY-INIZCTEOSA-N -1 3 350.440 3.125 20 0 FGADHM Cc1oc(C(=O)[N-]c2ccsc2Cl)cc1S(=O)(=O)N1CCCC1 ZINC000187840142 496590718 /nfs/dbraw/zinc/59/07/18/496590718.db2.gz PQIZTJPHQKRRCB-UHFFFAOYSA-N -1 3 374.871 3.340 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]C[C@H](CCO)c2ccccc2)c(Cl)cc1F ZINC000178881346 496604190 /nfs/dbraw/zinc/60/41/90/496604190.db2.gz LXFQRTVZEQOMIS-AWEZNQCLSA-N -1 3 371.861 3.232 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-][C@H](C)c2ccc(-n3cccn3)cc2)c(F)c1 ZINC000173234477 496606061 /nfs/dbraw/zinc/60/60/61/496606061.db2.gz NGMOPSAJHQJOHL-CQSZACIVSA-N -1 3 359.426 3.359 20 0 FGADHM Cc1ccc(F)c(OCC(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)c1 ZINC000164482833 496614166 /nfs/dbraw/zinc/61/41/66/496614166.db2.gz DGKISSCTOIEQKO-UHFFFAOYSA-N -1 3 367.380 3.210 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)c3cc(C)nc4ccccc43)[n-]c21 ZINC000178934712 496622030 /nfs/dbraw/zinc/62/20/30/496622030.db2.gz YOCBBGCBZUVYTJ-UHFFFAOYSA-N -1 3 360.373 3.458 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cc(C)nc4ccccc43)nc21 ZINC000178934712 496622035 /nfs/dbraw/zinc/62/20/35/496622035.db2.gz YOCBBGCBZUVYTJ-UHFFFAOYSA-N -1 3 360.373 3.458 20 0 FGADHM Cc1cccc2c(=O)c(C(=O)N3CCC(OC[C@H]4CCCO4)CC3)c[n-]c12 ZINC000164616960 496623809 /nfs/dbraw/zinc/62/38/09/496623809.db2.gz XYCBWQIOQHUYDO-MRXNPFEDSA-N -1 3 370.449 3.049 20 0 FGADHM CC1(C)CCCC[C@H]1CC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000178944228 496624755 /nfs/dbraw/zinc/62/47/55/496624755.db2.gz ZGUCRVORWONNGG-INIZCTEOSA-N -1 3 358.482 3.283 20 0 FGADHM C[C@@]1(c2cccc(NC(=O)CC3CCC(C)(C)CC3)c2)NC(=O)[N-]C1=O ZINC000158092221 496625487 /nfs/dbraw/zinc/62/54/87/496625487.db2.gz GSPKEZFCHIJFAT-FQEVSTJZSA-N -1 3 357.454 3.286 20 0 FGADHM C[C@@H](NC(=O)[C@H](C)N1CCC[C@H](C(=O)[O-])C1)c1ccc2ccccc2c1 ZINC000164678495 496627751 /nfs/dbraw/zinc/62/77/51/496627751.db2.gz OQOSBSNGOYDEIJ-VCBZYWHSSA-N -1 3 354.450 3.202 20 0 FGADHM CCO[C@@H]1C[C@@H](N(C)Cc2nc3c4ccccc4oc3c(=O)[n-]2)C12CCC2 ZINC000153942398 496631888 /nfs/dbraw/zinc/63/18/88/496631888.db2.gz LJDVGRQUCUQHKY-HZPDHXFCSA-N -1 3 367.449 3.449 20 0 FGADHM Cc1cccc(C(=O)Nc2ccc(F)c([N-]S(C)(=O)=O)c2)c1Cl ZINC000178998446 496639901 /nfs/dbraw/zinc/63/99/01/496639901.db2.gz NHRONCPQRTUEGI-UHFFFAOYSA-N -1 3 356.806 3.411 20 0 FGADHM CC(C)n1[n-]cc/c1=N\C(=O)N(CCCO)[C@H]1CCCc2ccccc21 ZINC000176006444 496640491 /nfs/dbraw/zinc/64/04/91/496640491.db2.gz CPVBDEKQDIBVKZ-LOFJQREMSA-N -1 3 356.470 3.180 20 0 FGADHM COc1cc(C(=O)N2CCN(c3cccc(Cl)c3)C[C@@H]2C)ccc1[O-] ZINC000578076396 505856554 /nfs/dbraw/zinc/85/65/54/505856554.db2.gz HCLOGNAIQYKGQN-ZDUSSCGKSA-N -1 3 360.841 3.405 20 0 FGADHM O=C(NCc1ncccc1[O-])NC[C@@H](Cc1ccccc1)C(F)(F)F ZINC000574795196 505857362 /nfs/dbraw/zinc/85/73/62/505857362.db2.gz BKHSKGLKGAAPKT-CYBMUJFWSA-N -1 3 353.344 3.008 20 0 FGADHM Cc1cc(C)cc(-c2nnc(NC(=O)c3cccc4nn[n-]c43)s2)c1 ZINC000188014980 496653066 /nfs/dbraw/zinc/65/30/66/496653066.db2.gz KDMCJLDGTCVHIO-UHFFFAOYSA-N -1 3 350.407 3.346 20 0 FGADHM Cc1cc(C)cc(-c2nnc(NC(=O)c3cccc4[n-]nnc43)s2)c1 ZINC000188014980 496653074 /nfs/dbraw/zinc/65/30/74/496653074.db2.gz KDMCJLDGTCVHIO-UHFFFAOYSA-N -1 3 350.407 3.346 20 0 FGADHM Cc1cc(C)cc(-c2nnc(NC(=O)c3cccc4n[n-]nc43)s2)c1 ZINC000188014980 496653081 /nfs/dbraw/zinc/65/30/81/496653081.db2.gz KDMCJLDGTCVHIO-UHFFFAOYSA-N -1 3 350.407 3.346 20 0 FGADHM Cc1cccc2c(=O)c(C(=O)N(C)[C@H](CCO)c3ccccc3)c[n-]c12 ZINC000165456840 496658738 /nfs/dbraw/zinc/65/87/38/496658738.db2.gz KJAYMQXQGLPRFA-GOSISDBHSA-N -1 3 350.418 3.445 20 0 FGADHM Cn1ncc2c1ncc(C(=O)Nc1ccccc1CC(F)(F)F)c2[O-] ZINC000182077131 496661188 /nfs/dbraw/zinc/66/11/88/496661188.db2.gz LJTWDEAXPUTSDT-UHFFFAOYSA-N -1 3 350.300 3.031 20 0 FGADHM C[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)CN1C1CC1 ZINC000188094931 496681075 /nfs/dbraw/zinc/68/10/75/496681075.db2.gz LXLSVTJFTCZQRP-IUCAKERBSA-N -1 3 367.273 3.036 20 0 FGADHM Cc1[nH]c2ccccc2c1CC[N-]S(=O)(=O)c1cn2c(n1)CCC[C@H]2C ZINC000580881697 505859478 /nfs/dbraw/zinc/85/94/78/505859478.db2.gz LCAJEXPASIAYOF-CYBMUJFWSA-N -1 3 372.494 3.091 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1)c1c(C)noc1C ZINC000182160199 496692930 /nfs/dbraw/zinc/69/29/30/496692930.db2.gz WXXGSGYXMPWJTJ-NSHDSACASA-N -1 3 363.361 3.135 20 0 FGADHM Cc1cccc(F)c1S(=O)(=O)[N-][C@@H](C)c1ccccc1-n1cccn1 ZINC000185178396 496693144 /nfs/dbraw/zinc/69/31/44/496693144.db2.gz DAKLGTTUBOUJRN-AWEZNQCLSA-N -1 3 359.426 3.359 20 0 FGADHM CCN1CCN(c2ccc(C(=O)Nc3cccc([O-])c3F)cc2F)CC1 ZINC000179154923 496695494 /nfs/dbraw/zinc/69/54/94/496695494.db2.gz JTGYLYVPILBVKQ-UHFFFAOYSA-N -1 3 361.392 3.065 20 0 FGADHM Cc1nc([C@@H](NC(=O)/C=C/c2cncc([O-])c2)c2ccc(Cl)cc2)no1 ZINC000182179640 496698900 /nfs/dbraw/zinc/69/89/00/496698900.db2.gz LPMASNACBDTYDA-OIYOBHNRSA-N -1 3 370.796 3.051 20 0 FGADHM CC[C@@H](Oc1ccccc1F)C(=O)Nc1nc2cccc(C(=O)OC)c2[n-]1 ZINC000158435214 496701201 /nfs/dbraw/zinc/70/12/01/496701201.db2.gz PXSHFPSIFBQCFT-CQSZACIVSA-N -1 3 371.368 3.285 20 0 FGADHM CC[C@@H](Oc1ccccc1F)C(=O)Nc1nc2c(cccc2C(=O)OC)[n-]1 ZINC000158435214 496701208 /nfs/dbraw/zinc/70/12/08/496701208.db2.gz PXSHFPSIFBQCFT-CQSZACIVSA-N -1 3 371.368 3.285 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)[C@@H]1COc2ccccc21 ZINC000167520022 496701593 /nfs/dbraw/zinc/70/15/93/496701593.db2.gz HNZKEXWXZHAKKV-MFKMUULPSA-N -1 3 355.818 3.322 20 0 FGADHM C[C@@H](C(=O)NCCCNC(=O)c1cccc([O-])c1)c1ccc(Cl)s1 ZINC000176147124 496703520 /nfs/dbraw/zinc/70/35/20/496703520.db2.gz HUIMBXGYQXAYCB-LLVKDONJSA-N -1 3 366.870 3.147 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)[C@@H]1COc2ccccc21 ZINC000167590351 496703714 /nfs/dbraw/zinc/70/37/14/496703714.db2.gz YQLXAKOWQWNFER-MFKMUULPSA-N -1 3 355.818 3.322 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)[C@H]3C[C@H]3c3cccc(F)c3F)[n-]c21 ZINC000158461031 496706591 /nfs/dbraw/zinc/70/65/91/496706591.db2.gz YHMHEDPTZMTRHI-RYUDHWBXSA-N -1 3 371.343 3.370 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@H]3C[C@H]3c3cccc(F)c3F)nc21 ZINC000158461031 496706594 /nfs/dbraw/zinc/70/65/94/496706594.db2.gz YHMHEDPTZMTRHI-RYUDHWBXSA-N -1 3 371.343 3.370 20 0 FGADHM CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2cccc([O-])c2)CC1 ZINC000182272424 496724498 /nfs/dbraw/zinc/72/44/98/496724498.db2.gz CVTHWYXMRZQSNI-OAHLLOKOSA-N -1 3 371.456 3.164 20 0 FGADHM CSc1cccc(N(C)C(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])c1 ZINC000182291998 496726868 /nfs/dbraw/zinc/72/68/68/496726868.db2.gz OKIHOJIYUXTMIZ-KRWDZBQOSA-N -1 3 370.474 3.382 20 0 FGADHM O=C(NCc1ccncc1)Nc1cccc(NC(=O)c2cccc([O-])c2)c1 ZINC000182309693 496729065 /nfs/dbraw/zinc/72/90/65/496729065.db2.gz UTOACGKZAOKZRA-UHFFFAOYSA-N -1 3 362.389 3.361 20 0 FGADHM CC(=O)c1cc(Br)cc(F)c1OCC(=O)[N-]c1cc(C)no1 ZINC000182348114 496730736 /nfs/dbraw/zinc/73/07/36/496730736.db2.gz XDFRTNCKNRFING-UHFFFAOYSA-N -1 3 371.162 3.105 20 0 FGADHM O=C([C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl)N1CCc2c(=O)[n-]cnc2C1 ZINC000273185355 496733588 /nfs/dbraw/zinc/73/35/88/496733588.db2.gz FVBFRHLVOWBSKR-CHWSQXEVSA-N -1 3 364.232 3.177 20 0 FGADHM O=C(CCc1ccc(Cl)cc1Cl)N1CCc2c(=O)[n-]cnc2C1 ZINC000273189223 496735093 /nfs/dbraw/zinc/73/50/93/496735093.db2.gz GIVRKIJPWBGUAC-UHFFFAOYSA-N -1 3 352.221 3.007 20 0 FGADHM Cc1ccccc1[C@H]1CN(C(=O)c2cc(F)cc3[n-]nnc32)[C@H](C)CO1 ZINC000277337238 496740509 /nfs/dbraw/zinc/74/05/09/496740509.db2.gz DHRGWRXTUAJJSX-SJKOYZFVSA-N -1 3 354.385 3.008 20 0 FGADHM Cc1ccccc1[C@H]1CN(C(=O)c2cc(F)cc3nn[n-]c32)[C@H](C)CO1 ZINC000277337238 496740512 /nfs/dbraw/zinc/74/05/12/496740512.db2.gz DHRGWRXTUAJJSX-SJKOYZFVSA-N -1 3 354.385 3.008 20 0 FGADHM Cc1ccccc1[C@H]1CN(C(=O)c2cc(F)cc3n[n-]nc32)[C@H](C)CO1 ZINC000277337238 496740515 /nfs/dbraw/zinc/74/05/15/496740515.db2.gz DHRGWRXTUAJJSX-SJKOYZFVSA-N -1 3 354.385 3.008 20 0 FGADHM O=C(c1cc2c(s1)-c1ccccc1CC2)N1CCc2c(=O)[n-]cnc2C1 ZINC000273316479 496772079 /nfs/dbraw/zinc/77/20/79/496772079.db2.gz YQWUSJJDORFKBQ-UHFFFAOYSA-N -1 3 363.442 3.208 20 0 FGADHM COc1ccc(CCC(=O)[N-]OCc2ccc(F)cc2)c(OC)c1OC ZINC000273331761 496776575 /nfs/dbraw/zinc/77/65/75/496776575.db2.gz UKTYQOSTTRTXSS-UHFFFAOYSA-N -1 3 363.385 3.032 20 0 FGADHM COc1ccc2c(c1)[n-]cc(C(=O)N1CC[C@@H](CC(F)(F)F)C1)c2=O ZINC000277484500 496787686 /nfs/dbraw/zinc/78/76/86/496787686.db2.gz LAWOGYMECRMAPU-JTQLQIEISA-N -1 3 354.328 3.364 20 0 FGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCc2cc(Cl)ccc2C1 ZINC000191507948 496789706 /nfs/dbraw/zinc/78/97/06/496789706.db2.gz BRIDVNAFPCWTFR-UHFFFAOYSA-N -1 3 359.857 3.228 20 0 FGADHM O=S(=O)([N-][C@@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1ccc(F)c(F)c1 ZINC000273390379 496792106 /nfs/dbraw/zinc/79/21/06/496792106.db2.gz DBTYYEPPIZIZSB-CXAGYDPISA-N -1 3 371.380 3.303 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCCCC(F)(F)F)c1 ZINC000273397560 496795046 /nfs/dbraw/zinc/79/50/46/496795046.db2.gz HVMFRBACQJGXJC-UHFFFAOYSA-N -1 3 371.315 3.013 20 0 FGADHM CC(C)(C)c1cnc(S(=O)(=O)Cc2n[n-]c(-c3cccs3)n2)s1 ZINC000195055785 496806248 /nfs/dbraw/zinc/80/62/48/496806248.db2.gz VJVGOAXVZFIBKK-UHFFFAOYSA-N -1 3 368.509 3.261 20 0 FGADHM CC(C)(C)c1cnc(S(=O)(=O)Cc2nnc(-c3cccs3)[n-]2)s1 ZINC000195055785 496806253 /nfs/dbraw/zinc/80/62/53/496806253.db2.gz VJVGOAXVZFIBKK-UHFFFAOYSA-N -1 3 368.509 3.261 20 0 FGADHM CC(C)(C)c1cnc(S(=O)(=O)Cc2nc(-c3cccs3)n[n-]2)s1 ZINC000195055785 496806257 /nfs/dbraw/zinc/80/62/57/496806257.db2.gz VJVGOAXVZFIBKK-UHFFFAOYSA-N -1 3 368.509 3.261 20 0 FGADHM O=C(c1cc([O-])ccc1Cl)N1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000277546084 496808348 /nfs/dbraw/zinc/80/83/48/496808348.db2.gz VTZLLBQZIZXMQH-ZDUSSCGKSA-N -1 3 374.872 3.383 20 0 FGADHM CN(C)Cc1ccsc1C(=O)[N-]c1nnc(CC(F)(F)F)s1 ZINC000268908917 496820465 /nfs/dbraw/zinc/82/04/65/496820465.db2.gz AVMFISLYVJWYRU-UHFFFAOYSA-N -1 3 350.391 3.018 20 0 FGADHM O=C(CCCNC(=O)c1cc([O-])ccc1Cl)N1CCc2ccccc21 ZINC000277610305 496829043 /nfs/dbraw/zinc/82/90/43/496829043.db2.gz HUODQUFLULHGGR-UHFFFAOYSA-N -1 3 358.825 3.145 20 0 FGADHM Cc1ccc(-c2cc(C(=O)Nc3nc(C(F)(F)F)n[n-]3)n[nH]2)c(C)c1 ZINC000188555426 496830018 /nfs/dbraw/zinc/83/00/18/496830018.db2.gz OJXWMASKKYEQJT-UHFFFAOYSA-N -1 3 350.304 3.083 20 0 FGADHM Cc1ccc(-c2cc(C(=O)Nc3nnc(C(F)(F)F)[n-]3)n[nH]2)c(C)c1 ZINC000188555426 496830021 /nfs/dbraw/zinc/83/00/21/496830021.db2.gz OJXWMASKKYEQJT-UHFFFAOYSA-N -1 3 350.304 3.083 20 0 FGADHM Cc1ccc(-c2cc(C(=O)Nc3n[n-]c(C(F)(F)F)n3)n[nH]2)c(C)c1 ZINC000188555426 496830024 /nfs/dbraw/zinc/83/00/24/496830024.db2.gz OJXWMASKKYEQJT-UHFFFAOYSA-N -1 3 350.304 3.083 20 0 FGADHM C[C@@H]1CN(Cc2cccc(CNC(=O)c3cc([O-])ccc3Cl)c2)CCO1 ZINC000277616276 496829996 /nfs/dbraw/zinc/82/99/96/496829996.db2.gz IGJUZJWDEPLJPX-CQSZACIVSA-N -1 3 374.868 3.196 20 0 FGADHM Cn1cc(C(=O)C(=O)[N-]c2nc3ccccc3n2C2CCCCC2)cn1 ZINC000195151167 496835856 /nfs/dbraw/zinc/83/58/56/496835856.db2.gz KOOHIHYMKULNEB-UHFFFAOYSA-N -1 3 351.410 3.096 20 0 FGADHM CC(C)Oc1ccc([N-]S(=O)(=O)c2cccc(C(N)=O)c2)c(Cl)c1 ZINC000188602277 496848069 /nfs/dbraw/zinc/84/80/69/496848069.db2.gz RISGNDVNJZDSRD-UHFFFAOYSA-N -1 3 368.842 3.027 20 0 FGADHM CC(C)(C)c1nnc([N-]C(=O)c2cn(-c3cccc(Cl)c3)nn2)s1 ZINC000188650892 496865902 /nfs/dbraw/zinc/86/59/02/496865902.db2.gz CEQKWLVYMSAXED-UHFFFAOYSA-N -1 3 362.846 3.322 20 0 FGADHM O=C(Nc1ncc(-c2ccc(F)cc2)s1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000191730979 496870147 /nfs/dbraw/zinc/87/01/47/496870147.db2.gz CCCOFAFWOFDABL-UHFFFAOYSA-N -1 3 367.361 3.085 20 0 FGADHM COC(=O)[C@@H](C)Cc1ccc(NC(=O)c2cc(OC)c([O-])c(OC)c2)cc1 ZINC000273682564 496873738 /nfs/dbraw/zinc/87/37/38/496873738.db2.gz ZIKFANZEJWODGQ-LBPRGKRZSA-N -1 3 373.405 3.013 20 0 FGADHM Cc1cc([N-]S(=O)(=O)c2cc(Br)c(F)cc2C)ccn1 ZINC000191762719 496881479 /nfs/dbraw/zinc/88/14/79/496881479.db2.gz LJERIPBDCPPHJB-UHFFFAOYSA-N -1 3 359.220 3.401 20 0 FGADHM C[C@]1(c2nc(Cc3nc(=O)c4c(C5CC5)csc4[n-]3)no2)CCCOC1 ZINC000273725773 496886213 /nfs/dbraw/zinc/88/62/13/496886213.db2.gz KBAHMWVEHYHZKN-SFHVURJKSA-N -1 3 372.450 3.316 20 0 FGADHM CCCc1ncc(-c2nc(-c3ccc([N-]S(C)(=O)=O)cc3)no2)s1 ZINC000273736482 496890314 /nfs/dbraw/zinc/89/03/14/496890314.db2.gz NKIPKICHTFYCDY-UHFFFAOYSA-N -1 3 364.452 3.184 20 0 FGADHM CCCc1c(NC(=O)c2cccc3nn[n-]c32)cnn1-c1cccc(F)c1 ZINC000188772597 496903927 /nfs/dbraw/zinc/90/39/27/496903927.db2.gz WVCPDOVKYLXMSS-UHFFFAOYSA-N -1 3 364.384 3.488 20 0 FGADHM CCCc1c(NC(=O)c2cccc3[n-]nnc32)cnn1-c1cccc(F)c1 ZINC000188772597 496903933 /nfs/dbraw/zinc/90/39/33/496903933.db2.gz WVCPDOVKYLXMSS-UHFFFAOYSA-N -1 3 364.384 3.488 20 0 FGADHM CCCc1c(NC(=O)c2cccc3n[n-]nc32)cnn1-c1cccc(F)c1 ZINC000188772597 496903938 /nfs/dbraw/zinc/90/39/38/496903938.db2.gz WVCPDOVKYLXMSS-UHFFFAOYSA-N -1 3 364.384 3.488 20 0 FGADHM Cc1[nH]nc2ncc(NC(=O)c3ccc(C(=O)c4cccc([O-])c4)cc3)cc12 ZINC000188781324 496907102 /nfs/dbraw/zinc/90/71/02/496907102.db2.gz ULECWZLYSHSEOY-UHFFFAOYSA-N -1 3 372.384 3.455 20 0 FGADHM COc1ccc(C[N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)cn1 ZINC000191865023 496913819 /nfs/dbraw/zinc/91/38/19/496913819.db2.gz FZPOACQFVPNOHL-UHFFFAOYSA-N -1 3 365.213 3.015 20 0 FGADHM CCOC(=O)c1nc(C2CCN([C@@H](C)c3c(F)cccc3F)CC2)n[n-]1 ZINC000277888866 496923253 /nfs/dbraw/zinc/92/32/53/496923253.db2.gz VWTQKHAAUBSGRH-NSHDSACASA-N -1 3 364.396 3.200 20 0 FGADHM CCOC(=O)c1nnc(C2CCN([C@@H](C)c3c(F)cccc3F)CC2)[n-]1 ZINC000277888866 496923258 /nfs/dbraw/zinc/92/32/58/496923258.db2.gz VWTQKHAAUBSGRH-NSHDSACASA-N -1 3 364.396 3.200 20 0 FGADHM O=S(=O)([N-][C@H]1CCOC2(CCSCC2)C1)c1ccc(Cl)s1 ZINC000269374310 496933145 /nfs/dbraw/zinc/93/31/45/496933145.db2.gz ZLEHJHXLZKGCOG-JTQLQIEISA-N -1 3 367.945 3.125 20 0 FGADHM O=C(c1ccc(C(=O)N(CCCCO)C2CC2)cc1)c1cccc([O-])c1 ZINC000188895081 496940190 /nfs/dbraw/zinc/94/01/90/496940190.db2.gz HHXMJCNBIJGYGZ-UHFFFAOYSA-N -1 3 353.418 3.000 20 0 FGADHM CCCCc1nc(C(=O)OCC)c(NC(=O)[C@H]2CCO[C@H](CCC)C2)[n-]1 ZINC000191964053 496946345 /nfs/dbraw/zinc/94/63/45/496946345.db2.gz RMSWRGGSSSDMAR-UONOGXRCSA-N -1 3 365.474 3.463 20 0 FGADHM CCCCc1nc(NC(=O)[C@H]2CCO[C@H](CCC)C2)c(C(=O)OCC)[n-]1 ZINC000191964053 496946350 /nfs/dbraw/zinc/94/63/50/496946350.db2.gz RMSWRGGSSSDMAR-UONOGXRCSA-N -1 3 365.474 3.463 20 0 FGADHM C[C@@]1(Cc2cccc(F)c2)CCCN1C(=O)c1c[n-]c2ccncc2c1=O ZINC000580953865 505875898 /nfs/dbraw/zinc/87/58/98/505875898.db2.gz FLKJSGDYVHFUBC-NRFANRHFSA-N -1 3 365.408 3.300 20 0 FGADHM CC(=O)Nc1ccc(CNC(=O)c2cc([O-])ccc2C(F)(F)F)cc1 ZINC000188972174 496963668 /nfs/dbraw/zinc/96/36/68/496963668.db2.gz SSTQENZKVOCBLR-UHFFFAOYSA-N -1 3 352.312 3.299 20 0 FGADHM COc1cc(C(=O)N2CCCN(C)c3ccc(F)cc32)cc(OC)c1[O-] ZINC000273972682 496977502 /nfs/dbraw/zinc/97/75/02/496977502.db2.gz RUBDDMMFPFTQLM-UHFFFAOYSA-N -1 3 360.385 3.035 20 0 FGADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]CC(C)(C)C(C)C)cc1Cl ZINC000189017521 496980329 /nfs/dbraw/zinc/98/03/29/496980329.db2.gz RFKJMIJDGOYKQT-UHFFFAOYSA-N -1 3 364.870 3.398 20 0 FGADHM O=S(=O)([N-]Cc1nnc(C2CC2)o1)c1cc2cc(Cl)ccc2s1 ZINC000189076637 497000282 /nfs/dbraw/zinc/00/02/82/497000282.db2.gz KNBMRQZSFGATDG-UHFFFAOYSA-N -1 3 369.855 3.294 20 0 FGADHM CCOc1ccc(S(=O)(=O)[N-]CC(F)(F)C(F)F)c2ccccc12 ZINC000192136887 497007416 /nfs/dbraw/zinc/00/74/16/497007416.db2.gz NZUACOZGAXWVCU-UHFFFAOYSA-N -1 3 365.348 3.417 20 0 FGADHM CC[C@@H](CC1CCCC1)C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C)c1 ZINC000580968550 505879153 /nfs/dbraw/zinc/87/91/53/505879153.db2.gz BCFBGZLIDHHMMU-ZDUSSCGKSA-N -1 3 356.463 3.279 20 0 FGADHM CCn1cc(S(=O)(=O)[N-]c2c(C)cc(C)cc2Br)cn1 ZINC000274108769 497017669 /nfs/dbraw/zinc/01/76/69/497017669.db2.gz XZMNPQWYEIRJIY-UHFFFAOYSA-N -1 3 358.261 3.083 20 0 FGADHM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1CC(=O)Nc1cc(Cl)ccc1F ZINC000248510348 497028055 /nfs/dbraw/zinc/02/80/55/497028055.db2.gz ADNBEFTYPWXUNQ-VQISRLSMSA-N -1 3 354.809 3.135 20 0 FGADHM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000248513556 497029257 /nfs/dbraw/zinc/02/92/57/497029257.db2.gz DIJOMGRUFWTKLV-MUGJNUQGSA-N -1 3 370.493 3.143 20 0 FGADHM COc1cnccc1[C@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000189163829 497029815 /nfs/dbraw/zinc/02/98/15/497029815.db2.gz JELWNNNUIRARIO-VIFPVBQESA-N -1 3 361.250 3.437 20 0 FGADHM CC1CCN(c2cccc(-n3c([O-])c(CC(F)(F)F)[nH]c3=O)c2)CC1 ZINC000278198295 497035063 /nfs/dbraw/zinc/03/50/63/497035063.db2.gz RVZXMBNLGPWUHS-AWEZNQCLSA-N -1 3 355.360 3.300 20 0 FGADHM Cc1ccc(C(=O)N2C[C@@H]3CC[C@@H](NC(=O)OC(C)(C)C)[C@H]3C2)c([O-])c1 ZINC000248568083 497043431 /nfs/dbraw/zinc/04/34/31/497043431.db2.gz FISPQQMGXWOHLC-CWRNSKLLSA-N -1 3 360.454 3.076 20 0 FGADHM Cc1ccc([C@](O)(Cc2noc(-c3ccccc3[O-])n2)C(F)(F)F)o1 ZINC000274246943 497051263 /nfs/dbraw/zinc/05/12/63/497051263.db2.gz VJJPWDQCOAJTAA-OAHLLOKOSA-N -1 3 354.284 3.336 20 0 FGADHM CC[C@@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)c1ccc(OC)c(OC)c1 ZINC000569219221 505881685 /nfs/dbraw/zinc/88/16/85/505881685.db2.gz OETVWHJFTAPYDS-OAHLLOKOSA-N -1 3 366.417 3.426 20 0 FGADHM Cc1ccc(NC([O-])=NO[C@H]2CCCCO2)c(OC[C@@H]2CCCO2)c1 ZINC000274264748 497055868 /nfs/dbraw/zinc/05/58/68/497055868.db2.gz ZISBSLUHQAEQFM-YOEHRIQHSA-N -1 3 350.415 3.133 20 0 FGADHM Cc1ccc(NC(=O)[N-]O[C@H]2CCCCO2)c(OC[C@@H]2CCCO2)c1 ZINC000274264748 497055876 /nfs/dbraw/zinc/05/58/76/497055876.db2.gz ZISBSLUHQAEQFM-YOEHRIQHSA-N -1 3 350.415 3.133 20 0 FGADHM CCS[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000225359130 497060041 /nfs/dbraw/zinc/06/00/41/497060041.db2.gz UOORMYPLJDMSAL-BDAKNGLRSA-N -1 3 370.359 3.463 20 0 FGADHM C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000274290666 497062347 /nfs/dbraw/zinc/06/23/47/497062347.db2.gz MMSOTIBSZRKAJC-MGPUTAFESA-N -1 3 361.445 3.191 20 0 FGADHM C[C@@H]1CCN(C(=O)Cc2cc(F)cc3c2OCOC3)c2c([O-])cccc21 ZINC000274335715 497073979 /nfs/dbraw/zinc/07/39/79/497073979.db2.gz BWOHNSWWDWMZDG-GFCCVEGCSA-N -1 3 357.381 3.481 20 0 FGADHM O=S(=O)([N-]Cc1cccs1)c1ccc(Br)c(F)c1 ZINC000230586604 497105847 /nfs/dbraw/zinc/10/58/47/497105847.db2.gz RSNVEXGULXSPGD-UHFFFAOYSA-N -1 3 350.234 3.128 20 0 FGADHM Cn1cc(Br)c(=NC(=O)[C@H]2C[C@H]2c2ccccc2Cl)[n-]1 ZINC000574918599 505883303 /nfs/dbraw/zinc/88/33/03/505883303.db2.gz RJCLMROVCZIYBB-UWVGGRQHSA-N -1 3 354.635 3.000 20 0 FGADHM CCCOc1ccc(S(=O)(=O)[N-]c2cccc(C[S@@](C)=O)c2)cc1 ZINC000265267015 497085918 /nfs/dbraw/zinc/08/59/18/497085918.db2.gz MJPVJXXQWFVGHL-HSZRJFAPSA-N -1 3 367.492 3.155 20 0 FGADHM CC(C)C1(C[N-]S(=O)(=O)c2ccc(F)cc2Br)CC1 ZINC000227836750 497092239 /nfs/dbraw/zinc/09/22/39/497092239.db2.gz HHPJSGOTNHILNM-UHFFFAOYSA-N -1 3 350.253 3.303 20 0 FGADHM O=S(=O)([N-]C[C@H]1CCCCS1)c1ccc(Br)c(F)c1 ZINC000230137870 497102915 /nfs/dbraw/zinc/10/29/15/497102915.db2.gz FNJTXUZSKCGUAE-SECBINFHSA-N -1 3 368.293 3.152 20 0 FGADHM O=S(=O)([N-][C@@H]1CC=CCC1)c1ccc(Cl)c(Br)c1 ZINC000236056163 497116126 /nfs/dbraw/zinc/11/61/26/497116126.db2.gz MBDQZRCBHUOTBI-SECBINFHSA-N -1 3 350.665 3.490 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H](CC)N(CC)CC)c2)n1 ZINC000265488963 497129034 /nfs/dbraw/zinc/12/90/34/497129034.db2.gz XBADNMLHCJJGQA-KRWDZBQOSA-N -1 3 356.470 3.471 20 0 FGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]CCc1cnc(C)cn1 ZINC000581000283 505888006 /nfs/dbraw/zinc/88/80/06/505888006.db2.gz SRFCISWHZLMFPW-UHFFFAOYSA-N -1 3 365.842 3.014 20 0 FGADHM CC[C@H](NC(=O)c1cc(OC)c([O-])c(OC)c1)c1ccc2c(c1)OCCO2 ZINC000270636192 497167662 /nfs/dbraw/zinc/16/76/62/497167662.db2.gz FGLCWQSTAARPSA-AWEZNQCLSA-N -1 3 373.405 3.062 20 0 FGADHM C[C@@H](NC(=O)NCc1ccc([O-])c(F)c1)c1ccc(N2CCOC2=O)cc1 ZINC000265737805 497171771 /nfs/dbraw/zinc/17/17/71/497171771.db2.gz MFDYLTNVDJYHRU-GFCCVEGCSA-N -1 3 373.384 3.048 20 0 FGADHM C[N-]S(=O)(=O)c1cc(NC(=O)CC/C=C\c2ccccc2)ccc1F ZINC000569251449 505889361 /nfs/dbraw/zinc/88/93/61/505889361.db2.gz XQWCMRDRAKGQOM-UITAMQMPSA-N -1 3 362.426 3.166 20 0 FGADHM CC(C)(O)CON=C([O-])Nc1ccc(NC(=O)c2ccco2)c(Cl)c1 ZINC000278670080 497183994 /nfs/dbraw/zinc/18/39/94/497183994.db2.gz QZYUNLYIZAPHSD-UHFFFAOYSA-N -1 3 367.789 3.009 20 0 FGADHM CC(C)(O)CO[N-]C(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1 ZINC000278670080 497184001 /nfs/dbraw/zinc/18/40/01/497184001.db2.gz QZYUNLYIZAPHSD-UHFFFAOYSA-N -1 3 367.789 3.009 20 0 FGADHM COc1cc(C(=O)N2CCC(Oc3ccc(C)cc3)CC2)cc(OC)c1[O-] ZINC000270717262 497186571 /nfs/dbraw/zinc/18/65/71/497186571.db2.gz JQKGQKCRZPSQBY-UHFFFAOYSA-N -1 3 371.433 3.401 20 0 FGADHM CC(C)COC(=O)Nc1cccc([N-]S(=O)(=O)C[C@@H]2CCCCO2)c1 ZINC000265843563 497192232 /nfs/dbraw/zinc/19/22/32/497192232.db2.gz DSXSRBNRJDRYPE-INIZCTEOSA-N -1 3 370.471 3.202 20 0 FGADHM Cc1cccnc1C(F)(F)C(=O)[N-]Cc1nnc(-c2ccccc2)s1 ZINC000192716275 497193846 /nfs/dbraw/zinc/19/38/46/497193846.db2.gz GCCQUODPIMNZPW-UHFFFAOYSA-N -1 3 360.389 3.317 20 0 FGADHM CCc1ccc(C(=O)N2CCC(C(=O)N3CCC[C@H](C)C3)CC2)c([O-])c1 ZINC000189653745 497197361 /nfs/dbraw/zinc/19/73/61/497197361.db2.gz UWMSGYJIALNTRH-HNNXBMFYSA-N -1 3 358.482 3.065 20 0 FGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H](C)c1ncc(C)s1 ZINC000278755266 497210616 /nfs/dbraw/zinc/21/06/16/497210616.db2.gz JSJFJNHYEOUHCQ-VIFPVBQESA-N -1 3 360.888 3.196 20 0 FGADHM Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)N[C@@H](C)c1nc(C)cc(=O)[n-]1 ZINC000192778411 497211501 /nfs/dbraw/zinc/21/15/01/497211501.db2.gz HDGQPBVZRVYCCC-KOLCDFICSA-N -1 3 357.380 3.278 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)CCc1cccs1)c1noc(-c2ccccc2)n1 ZINC000189727570 497224418 /nfs/dbraw/zinc/22/44/18/497224418.db2.gz NPAGMOVJKFJMGU-GFCCVEGCSA-N -1 3 363.464 3.021 20 0 FGADHM COc1cc(F)c(S(=O)(=O)[N-]c2ccsc2Cl)cc1OC ZINC000189746288 497230540 /nfs/dbraw/zinc/23/05/40/497230540.db2.gz FCMVDLKFXJVJAU-UHFFFAOYSA-N -1 3 351.808 3.359 20 0 FGADHM COc1cccc([C@@H](C)CCCC(=O)N2CCc3nc[n-]c(=O)c3C2)c1 ZINC000278846356 497241342 /nfs/dbraw/zinc/24/13/42/497241342.db2.gz XLBBGDOULAPEAN-AWEZNQCLSA-N -1 3 355.438 3.050 20 0 FGADHM CCc1ccc(C(=O)N[C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)c([O-])c1 ZINC000189785624 497244185 /nfs/dbraw/zinc/24/41/85/497244185.db2.gz PDDKUXYIQXUJFP-LJQANCHMSA-N -1 3 370.424 3.317 20 0 FGADHM CCc1onc(C)c1[N-]C(=O)c1nnn(Cc2ccc(F)cc2F)c1C ZINC000189829748 497259517 /nfs/dbraw/zinc/25/95/17/497259517.db2.gz BEWHDEWLZVDSJO-UHFFFAOYSA-N -1 3 361.352 3.024 20 0 FGADHM CCc1[nH]nc(C(=O)[N-]c2nnc(C(C)(C)C)s2)c1Br ZINC000278910619 497263759 /nfs/dbraw/zinc/26/37/59/497263759.db2.gz BIKZHONWXBKCLV-UHFFFAOYSA-N -1 3 358.265 3.136 20 0 FGADHM Cc1cccc2c(=O)c(C(=O)N3CCn4c(C(C)C)nnc4[C@@H]3C)c[n-]c12 ZINC000189845813 497265332 /nfs/dbraw/zinc/26/53/32/497265332.db2.gz WEAXRSNOVBCEHE-ZDUSSCGKSA-N -1 3 365.437 3.181 20 0 FGADHM C[C@H](CON=C([O-])Nc1nc2ccccc2s1)NC(=O)OC(C)(C)C ZINC000271174462 497281269 /nfs/dbraw/zinc/28/12/69/497281269.db2.gz XVBGQAOQEOKNNT-SNVBAGLBSA-N -1 3 366.443 3.263 20 0 FGADHM C[C@H](CO[N-]C(=O)Nc1nc2ccccc2s1)NC(=O)OC(C)(C)C ZINC000271174462 497281274 /nfs/dbraw/zinc/28/12/74/497281274.db2.gz XVBGQAOQEOKNNT-SNVBAGLBSA-N -1 3 366.443 3.263 20 0 FGADHM Cc1ccc(C(=O)N2CCOC[C@H]2C[C@H](O)c2cccs2)c([O-])c1C ZINC000271212501 497292278 /nfs/dbraw/zinc/29/22/78/497292278.db2.gz ADKNOOOWKOTLLQ-ZBFHGGJFSA-N -1 3 361.463 3.035 20 0 FGADHM Cc1nnc(Cc2nc(=O)c3c([n-]2)sc(C)c3-c2ccc(C)cc2)n1C ZINC000189926222 497296117 /nfs/dbraw/zinc/29/61/17/497296117.db2.gz NPVAXBVHMGRFRQ-UHFFFAOYSA-N -1 3 365.462 3.296 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2CCOC3(CCC3)C2)c(Cl)cc1F ZINC000581053360 505899594 /nfs/dbraw/zinc/89/95/94/505899594.db2.gz FHXIGCYNMAPHJJ-GFCCVEGCSA-N -1 3 361.866 3.415 20 0 FGADHM O=C(Nc1cccc(CC(F)(F)F)c1)[C@@H]1CC[C@@H](C(F)(F)F)[N-]C1=O ZINC000266422282 497336409 /nfs/dbraw/zinc/33/64/09/497336409.db2.gz PBPZCLZKJAUCLB-QWRGUYRKSA-N -1 3 368.277 3.187 20 0 FGADHM C[C@H](Oc1cccc2ccccc21)C(=O)Nc1cc(-c2nccn2C)[n-]n1 ZINC000193268884 497338305 /nfs/dbraw/zinc/33/83/05/497338305.db2.gz PURYHMYIKARURL-ZDUSSCGKSA-N -1 3 361.405 3.369 20 0 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498205036 /nfs/dbraw/zinc/20/50/36/498205036.db2.gz CJIDXZXBINIUGE-UHFFFAOYSA-N -1 3 356.388 3.341 20 0 FGADHM CCc1ccc(NC(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)cc1 ZINC000289590307 498208218 /nfs/dbraw/zinc/20/82/18/498208218.db2.gz UBTJSQKLIRIKRO-ZDUSSCGKSA-N -1 3 357.376 3.171 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)[C@H]1CCOC1 ZINC000285861616 498222985 /nfs/dbraw/zinc/22/29/85/498222985.db2.gz DLHFTZMNQNYEOP-BDAKNGLRSA-N -1 3 357.781 3.062 20 0 FGADHM COC[C@@]1(C(=O)[O-])CCCN(Cc2nc(-c3ccc(C)cc3)cs2)C1 ZINC000581494330 506001175 /nfs/dbraw/zinc/00/11/75/506001175.db2.gz IJHMWXUHKUCVPX-LJQANCHMSA-N -1 3 360.479 3.432 20 0 FGADHM C[C@@H](NC(=O)NCc1ccc([O-])c(F)c1)[C@H]1OCCc2sccc21 ZINC000293013303 498235262 /nfs/dbraw/zinc/23/52/62/498235262.db2.gz OCMZAOSXLZXHDR-QLJPJBMISA-N -1 3 350.415 3.095 20 0 FGADHM Cc1cccc2c1ncnc2N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000301717408 498237274 /nfs/dbraw/zinc/23/72/74/498237274.db2.gz YDUZUCFKZSWYGD-UHFFFAOYSA-N -1 3 362.433 3.499 20 0 FGADHM CC(C)c1scnc1C(=O)Nc1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000289681170 498246653 /nfs/dbraw/zinc/24/66/53/498246653.db2.gz GLDDFJCSZUQGNG-UHFFFAOYSA-N -1 3 357.432 3.029 20 0 FGADHM CCOc1cc(CN2CCO[C@@H]3CC[C@@H](OC)C[C@@H]32)cc(Cl)c1[O-] ZINC000575783455 506003567 /nfs/dbraw/zinc/00/35/67/506003567.db2.gz FQQKGQKXAYESPT-VNQPRFMTSA-N -1 3 355.862 3.213 20 0 FGADHM Cc1ccc([C@@H]2C[C@H]2C(=O)Nc2ccc(F)c([N-]S(C)(=O)=O)c2)s1 ZINC000360285508 498263406 /nfs/dbraw/zinc/26/34/06/498263406.db2.gz UMZHNZDMKRTYJA-VXGBXAGGSA-N -1 3 368.455 3.309 20 0 FGADHM CC[C@@H](C)CO[N-]C(=O)Nc1ccc2c(c1)N(CC(F)F)C(=O)CS2 ZINC000296976843 498273904 /nfs/dbraw/zinc/27/39/04/498273904.db2.gz IVLKEIANNRTSKE-SNVBAGLBSA-N -1 3 373.425 3.490 20 0 FGADHM C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000331217982 498276990 /nfs/dbraw/zinc/27/69/90/498276990.db2.gz WUJXUASLKDPOHT-SPYBWZPUSA-N -1 3 372.490 3.465 20 0 FGADHM CCCC[C@@H](C)N(C)C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000289751410 498277370 /nfs/dbraw/zinc/27/73/70/498277370.db2.gz IEHPUWQXBZUZBL-CYBMUJFWSA-N -1 3 371.503 3.499 20 0 FGADHM O=C([N-]c1n[nH]c(Cc2cccc(F)c2)n1)c1coc(C2CCCC2)n1 ZINC000581536624 506010399 /nfs/dbraw/zinc/01/03/99/506010399.db2.gz MAFVAPXQNNSLDR-UHFFFAOYSA-N -1 3 355.373 3.433 20 0 FGADHM CCS[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000331262818 498288206 /nfs/dbraw/zinc/28/82/06/498288206.db2.gz DUWUBTOPEIENAE-NEPJUHHUSA-N -1 3 368.446 3.443 20 0 FGADHM COC(=O)c1ccc(-n2cc(C)cn2)c([N-]C(=O)c2cc(C3CC3)no2)c1 ZINC000281848172 498290058 /nfs/dbraw/zinc/29/00/58/498290058.db2.gz NKGUCTURWJJGLI-UHFFFAOYSA-N -1 3 366.377 3.085 20 0 FGADHM CCS[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cnccc2C(F)(F)F)C1 ZINC000331288223 498293417 /nfs/dbraw/zinc/29/34/17/498293417.db2.gz VDRHVZQDPFEQGR-MNOVXSKESA-N -1 3 368.446 3.443 20 0 FGADHM CC(C)Oc1cc(CN(C(=O)c2cc(=O)[n-]c(C3CC3)n2)C2CC2)ccn1 ZINC000572614906 506013014 /nfs/dbraw/zinc/01/30/14/506013014.db2.gz MLSMNZABCIMEGO-UHFFFAOYSA-N -1 3 368.437 3.047 20 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/nfs/dbraw/zinc/02/32/37/506023237.db2.gz UKDLCNSXARFWSU-XLDJFRKUSA-N -1 3 370.449 3.323 20 0 FGADHM Cc1cccc(C)c1CS(=O)(=O)[N-]Cc1noc(-c2cccs2)n1 ZINC000293452868 498390802 /nfs/dbraw/zinc/39/08/02/498390802.db2.gz KSIOHUYIGKZTNU-UHFFFAOYSA-N -1 3 363.464 3.035 20 0 FGADHM [O-]c1cccc(CNCc2ccc(CN3CCC(O)CC3)cc2)c1Cl ZINC000293480607 498399471 /nfs/dbraw/zinc/39/94/71/498399471.db2.gz FSYPEDDKJNBNOP-UHFFFAOYSA-N -1 3 360.885 3.292 20 0 FGADHM Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)N=c1cc(OC(F)F)n(C)[n-]1 ZINC000331657811 498411714 /nfs/dbraw/zinc/41/17/14/498411714.db2.gz WXOGBUGMPRBRQD-NSHDSACASA-N -1 3 368.384 3.180 20 0 FGADHM COC(=O)c1ccc(C(=O)Nc2cccc(C[S@@](=O)C(C)(C)C)c2)[n-]1 ZINC000293569683 498414468 /nfs/dbraw/zinc/41/44/68/498414468.db2.gz BFBPILWPJDNUBI-RUZDIDTESA-N -1 3 362.451 3.101 20 0 FGADHM COCCCCN(Cc1ccccc1)C(=O)c1cc(F)cc2[n-]nnc21 ZINC000282211732 498425969 /nfs/dbraw/zinc/42/59/69/498425969.db2.gz XYIQNDUJAJIUKG-UHFFFAOYSA-N -1 3 356.401 3.166 20 0 FGADHM COCCCCN(Cc1ccccc1)C(=O)c1cc(F)cc2nn[n-]c21 ZINC000282211732 498425972 /nfs/dbraw/zinc/42/59/72/498425972.db2.gz XYIQNDUJAJIUKG-UHFFFAOYSA-N -1 3 356.401 3.166 20 0 FGADHM COCCCCN(Cc1ccccc1)C(=O)c1cc(F)cc2n[n-]nc21 ZINC000282211732 498425977 /nfs/dbraw/zinc/42/59/77/498425977.db2.gz XYIQNDUJAJIUKG-UHFFFAOYSA-N -1 3 356.401 3.166 20 0 FGADHM O=C(CCc1ccc2ccccc2c1[O-])NC[C@@H]1COC2(CCCC2)O1 ZINC000297375891 498426283 /nfs/dbraw/zinc/42/62/83/498426283.db2.gz CZLOOLVJNUOEPS-QGZVFWFLSA-N -1 3 355.434 3.280 20 0 FGADHM C[C@@H]1CC[S@](=O)CCN1C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000365380106 498434977 /nfs/dbraw/zinc/43/49/77/498434977.db2.gz KNSVJZLABUUXJW-PWECECGKSA-N -1 3 359.447 3.168 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(N3CC[C@]4(C3)OCc3ccccc34)nc2)n1 ZINC000302227980 498451714 /nfs/dbraw/zinc/45/17/14/498451714.db2.gz AJCNJXGVWKYXCP-JOCHJYFZSA-N -1 3 374.444 3.442 20 0 FGADHM CC(C)OCc1cc(NC(=O)Nc2cccc3c2OCC(=O)N3)ccc1[O-] ZINC000290213050 498466838 /nfs/dbraw/zinc/46/68/38/498466838.db2.gz QCJNTWGRFFFFNZ-UHFFFAOYSA-N -1 3 371.393 3.292 20 0 FGADHM Cc1cccc(C(=O)N2CC[C@@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)c1[O-] ZINC000293739987 498472952 /nfs/dbraw/zinc/47/29/52/498472952.db2.gz RHMIIEGWRMWKEQ-GOEBONIOSA-N -1 3 360.454 3.172 20 0 FGADHM CCOCCOCc1cccc(NC(=O)c2[n-]nc3c2cccc3OC)c1 ZINC000575953171 506040493 /nfs/dbraw/zinc/04/04/93/506040493.db2.gz YVYYKZKQURIPTL-UHFFFAOYSA-N -1 3 369.421 3.377 20 0 FGADHM CCOCCOCc1cccc(NC(=O)c2n[n-]c3c2cccc3OC)c1 ZINC000575953171 506040496 /nfs/dbraw/zinc/04/04/96/506040496.db2.gz YVYYKZKQURIPTL-UHFFFAOYSA-N -1 3 369.421 3.377 20 0 FGADHM O=c1nc(CN2CCC[C@@](F)(CO)C2)[n-]c2sc(-c3ccccc3)cc21 ZINC000286743594 498496637 /nfs/dbraw/zinc/49/66/37/498496637.db2.gz DSDZNNPXLSCZPZ-IBGZPJMESA-N -1 3 373.453 3.360 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-][C@@H]1CC(C)(C)Oc2cc(F)ccc21 ZINC000331940426 498506675 /nfs/dbraw/zinc/50/66/75/498506675.db2.gz LUSTYRJIPNFDCC-GFCCVEGCSA-N -1 3 371.455 3.477 20 0 FGADHM CC(C)(C)OC(=O)N1C[C@@H]2CCN(C(=O)c3cccc([O-])c3)CC[C@@H]2C1 ZINC000293847818 498509706 /nfs/dbraw/zinc/50/97/06/498509706.db2.gz HKKKNKUGUBLQNB-IYBDPMFKSA-N -1 3 360.454 3.111 20 0 FGADHM Cc1nc(-c2ccc(NCCc3cn4c(n3)CCCC4)nc2)[n-]c(=O)c1C ZINC000302615765 498518398 /nfs/dbraw/zinc/51/83/98/498518398.db2.gz CMFBOLVZHAVCRS-UHFFFAOYSA-N -1 3 364.453 3.048 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H](CO)Cc3ccccc3C)nc2)n1 ZINC000302620902 498519774 /nfs/dbraw/zinc/51/97/74/498519774.db2.gz FHXRAXSNFSRPIA-SFHVURJKSA-N -1 3 364.449 3.131 20 0 FGADHM C[C@@H]1CN(C(=O)C(C)(C)C)C[C@@H](C)N1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000293884412 498522301 /nfs/dbraw/zinc/52/23/01/498522301.db2.gz FWBAORHUFMBFJB-ZIAGYGMSSA-N -1 3 369.465 3.048 20 0 FGADHM CC(C)n1cnc(S(=O)(=O)[N-][C@@H]2CC(C)(C)Oc3cc(F)ccc32)c1 ZINC000331999626 498528903 /nfs/dbraw/zinc/52/89/03/498528903.db2.gz VZVHJFHSLKVHMP-CQSZACIVSA-N -1 3 367.446 3.184 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N3CCOC[C@@H](C4CCC4)C3)c[n-]c12 ZINC000293904955 498529124 /nfs/dbraw/zinc/52/91/24/498529124.db2.gz NYDQOHGEBFJJRL-AWEZNQCLSA-N -1 3 358.413 3.277 20 0 FGADHM C[C@H](O)[C@H]([N-]S(=O)(=O)CCc1ccc(Cl)cc1)c1ccccc1F ZINC000572771492 506048834 /nfs/dbraw/zinc/04/88/34/506048834.db2.gz JOWLALWBDUERSC-SJCJKPOMSA-N -1 3 371.861 3.063 20 0 FGADHM Cc1nnc([C@@H]([N-]C(=O)C(F)(F)c2ccccc2F)c2ccccc2)n1C ZINC000362670477 498535867 /nfs/dbraw/zinc/53/58/67/498535867.db2.gz UBNPCTOTZRCUFV-INIZCTEOSA-N -1 3 374.366 3.260 20 0 FGADHM COCCCn1ccc(NC(=O)Nc2ccc([O-])c(COC(C)C)c2)n1 ZINC000290396039 498535911 /nfs/dbraw/zinc/53/59/11/498535911.db2.gz LTJPZASAHVOPDJ-UHFFFAOYSA-N -1 3 362.430 3.194 20 0 FGADHM O=C(c1cc(OCc2ccccc2)ccc1[O-])N1CCC12CCOCC2 ZINC000365568637 498536482 /nfs/dbraw/zinc/53/64/82/498536482.db2.gz FEBPGMJAQYEURN-UHFFFAOYSA-N -1 3 353.418 3.366 20 0 FGADHM CN(Cc1ccc(S(C)(=O)=O)cc1)Cc1cc([O-])cc(C(F)(F)F)c1 ZINC000290399550 498537732 /nfs/dbraw/zinc/53/77/32/498537732.db2.gz KEUUXWIBXGBNGE-UHFFFAOYSA-N -1 3 373.396 3.447 20 0 FGADHM O=S(=O)([N-]C1(C2CC2)CC1)c1c(Cl)cccc1Br ZINC000578911806 506050063 /nfs/dbraw/zinc/05/00/63/506050063.db2.gz MDNRJKLLPRDPHM-UHFFFAOYSA-N -1 3 350.665 3.323 20 0 FGADHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H](O)CCc3ccccc3)c2)n1 ZINC000362706426 498543213 /nfs/dbraw/zinc/54/32/13/498543213.db2.gz PXGVDTIUMYASTP-GOSISDBHSA-N -1 3 363.417 3.090 20 0 FGADHM NC(=O)c1ccc(CN(Cc2c(F)ccc([O-])c2F)C2CC2)c(F)c1 ZINC000293989776 498554885 /nfs/dbraw/zinc/55/48/85/498554885.db2.gz SADDHGHHOJOMGI-UHFFFAOYSA-N -1 3 350.340 3.073 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]Cc2cc(C)ccn2)c(Cl)c1Cl ZINC000569944203 506054040 /nfs/dbraw/zinc/05/40/40/506054040.db2.gz NWVHYHSKKYIQPV-UHFFFAOYSA-N -1 3 361.250 3.184 20 0 FGADHM COc1cc(C(=O)NC(C)(C)CCCNC(=O)OC(C)(C)C)ccc1[O-] ZINC000294046153 498572738 /nfs/dbraw/zinc/57/27/38/498572738.db2.gz VMJMVTFBPSGGBG-UHFFFAOYSA-N -1 3 366.458 3.214 20 0 FGADHM CC(=O)NCc1ccc([C@H]2CCCN2C(=O)c2cc([O-])ccc2Cl)o1 ZINC000365652804 498578838 /nfs/dbraw/zinc/57/88/38/498578838.db2.gz XXURXLVNJGRSQE-MRXNPFEDSA-N -1 3 362.813 3.252 20 0 FGADHM O=C(c1cccc(NCc2c(F)ccc([O-])c2F)c1)N1CCSCC1 ZINC000294116202 498594454 /nfs/dbraw/zinc/59/44/54/498594454.db2.gz GEDMXVFTXFGKEH-UHFFFAOYSA-N -1 3 364.417 3.472 20 0 FGADHM COCCCO[N-]C(=O)Nc1ccc(NC(=O)OC(C)(C)C)c(OC)c1 ZINC000287023988 498595528 /nfs/dbraw/zinc/59/55/28/498595528.db2.gz NQKMUBCFFKADBT-UHFFFAOYSA-N -1 3 369.418 3.132 20 0 FGADHM Cc1cc([C@H](C)[N-]S(=O)(=O)c2cn(C)nc2C(F)(F)F)c(C)s1 ZINC000294126816 498597312 /nfs/dbraw/zinc/59/73/12/498597312.db2.gz PVMWHDQGLMGADF-QMMMGPOBSA-N -1 3 367.418 3.157 20 0 FGADHM CC[C@H]1CCN1C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000294143831 498601951 /nfs/dbraw/zinc/60/19/51/498601951.db2.gz UUSHALYMPVDRIN-PKOBYXMFSA-N -1 3 352.434 3.264 20 0 FGADHM Cc1nc([C@@H]([N-]S(=O)(=O)CCC2CCC2)c2ccc(Cl)cc2)no1 ZINC000290632404 498626787 /nfs/dbraw/zinc/62/67/87/498626787.db2.gz CUKAVKYUBXGAPP-HNNXBMFYSA-N -1 3 369.874 3.230 20 0 FGADHM CCc1ccc([O-])c(C(=O)N2CCC(NC(=O)c3ccc(C)s3)CC2)c1 ZINC000332272693 498627693 /nfs/dbraw/zinc/62/76/93/498627693.db2.gz GUZHTZPVWJNFPV-UHFFFAOYSA-N -1 3 372.490 3.359 20 0 FGADHM COc1ccc(C(=O)NCCCc2cn(-c3ccccc3)nc2C)c([O-])c1 ZINC000302934828 498631722 /nfs/dbraw/zinc/63/17/22/498631722.db2.gz HIJXMNPVNYUYEA-UHFFFAOYSA-N -1 3 365.433 3.258 20 0 FGADHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(N3CCNC3=O)cc2C)c(C)c1 ZINC000332311753 498645172 /nfs/dbraw/zinc/64/51/72/498645172.db2.gz ODJPXSRRDDCAGK-UHFFFAOYSA-N -1 3 373.478 3.251 20 0 FGADHM C[C@@H]1CC[C@@H](NC(=O)c2ccc([N-]S(C)(=O)=O)cc2)c2ccccc21 ZINC000332322800 498649409 /nfs/dbraw/zinc/64/94/09/498649409.db2.gz JSXZFHNKBMFFOC-FZKQIMNGSA-N -1 3 358.463 3.427 20 0 FGADHM C[C@H]1Cc2ccccc2[C@@H]1[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000332327021 498650417 /nfs/dbraw/zinc/65/04/17/498650417.db2.gz PSCQJOCJGUUJBJ-IINYFYTJSA-N -1 3 356.369 3.312 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-][C@@H](C)c1ccc(OC)c(OC)c1C ZINC000287155219 498651105 /nfs/dbraw/zinc/65/11/05/498651105.db2.gz CRTWHIZDPMOTKJ-NSHDSACASA-N -1 3 371.480 3.122 20 0 FGADHM Cc1nc(C)c(CCC(=O)NC[C@H](C)Oc2ccc(C(C)C)cc2)c(=O)[n-]1 ZINC000287154368 498651724 /nfs/dbraw/zinc/65/17/24/498651724.db2.gz RTCXKIVASPQCGH-AWEZNQCLSA-N -1 3 371.481 3.439 20 0 FGADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)c1cccc(C2CC2)c1 ZINC000579002978 506072009 /nfs/dbraw/zinc/07/20/09/506072009.db2.gz XDZVEHCDHGOVMH-UHFFFAOYSA-N -1 3 364.445 3.304 20 0 FGADHM CCSCc1cc(C(=O)[N-]c2cc(F)c(C(=O)OC)c(F)c2)no1 ZINC000282848251 498679374 /nfs/dbraw/zinc/67/93/74/498679374.db2.gz UGZJSVHOYHUQOM-UHFFFAOYSA-N -1 3 356.350 3.245 20 0 FGADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCC[C@@H](c2nnc[nH]2)C1 ZINC000365911187 498696742 /nfs/dbraw/zinc/69/67/42/498696742.db2.gz FOGLJIDQRQSBMZ-CQSZACIVSA-N -1 3 364.405 3.322 20 0 FGADHM O=C(c1cc([O-])ccc1Cl)N1CCOC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000290885555 498711756 /nfs/dbraw/zinc/71/17/56/498711756.db2.gz BSULQEYIRBNRRN-KBXCAEBGSA-N -1 3 361.825 3.010 20 0 FGADHM Cc1cc(C(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)c(F)cc1F ZINC000332526800 498713330 /nfs/dbraw/zinc/71/33/30/498713330.db2.gz CZAVWABUYQTIQA-UHFFFAOYSA-N -1 3 374.387 3.013 20 0 FGADHM CCc1nnc(C[N-]S(=O)(=O)c2ccc(Cl)c3ccccc32)s1 ZINC000579043916 506081152 /nfs/dbraw/zinc/08/11/52/506081152.db2.gz PECZJEGPNIYNOJ-UHFFFAOYSA-N -1 3 367.883 3.386 20 0 FGADHM Cc1c(C(=O)[O-])cnn1C1CCN(Cc2ccc(OC(F)F)cc2)CC1 ZINC000576115054 506081402 /nfs/dbraw/zinc/08/14/02/506081402.db2.gz JCRJICUYRCEAKH-UHFFFAOYSA-N -1 3 365.380 3.328 20 0 FGADHM Cc1csc(CCCC(=O)N(C)Cc2nc3ccsc3c(=O)[n-]2)n1 ZINC000283026713 498750098 /nfs/dbraw/zinc/75/00/98/498750098.db2.gz QRWGGSBGPSIALJ-UHFFFAOYSA-N -1 3 362.480 3.143 20 0 FGADHM O=C(N[C@H](c1ccccc1)c1cccnc1)c1cc(=O)c2ccccc2[n-]1 ZINC000363335823 498768401 /nfs/dbraw/zinc/76/84/01/498768401.db2.gz WNLJZUQRMVTIMB-OAQYLSRUSA-N -1 3 355.397 3.443 20 0 FGADHM CC(C)C[C@H](CO)[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000316679293 498789161 /nfs/dbraw/zinc/78/91/61/498789161.db2.gz VEDKCNVNNDEGAN-SNVBAGLBSA-N -1 3 359.797 3.044 20 0 FGADHM CCOC(=O)c1c(C)c(C(C)=O)sc1[N-]C(=O)c1ccc(Cl)nn1 ZINC000298512270 498797265 /nfs/dbraw/zinc/79/72/65/498797265.db2.gz YXKYKVMRUVRBQJ-UHFFFAOYSA-N -1 3 367.814 3.132 20 0 FGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)CCCC(=O)C(C)(C)C)c1 ZINC000294803485 498810743 /nfs/dbraw/zinc/81/07/43/498810743.db2.gz BNLPJRJKORSLHI-UHFFFAOYSA-N -1 3 354.472 3.091 20 0 FGADHM O=C(NC[C@H]1CCCN(Cc2cccs2)C1)c1s[n-]c(=O)c1Cl ZINC000283202697 498817053 /nfs/dbraw/zinc/81/70/53/498817053.db2.gz ZPAZKYUHHWHYRT-SNVBAGLBSA-N -1 3 371.915 3.206 20 0 FGADHM Cc1nc(C)c(CCC(=O)NCCCc2c[nH]c3ccc(F)cc23)c(=O)[n-]1 ZINC000283234875 498825643 /nfs/dbraw/zinc/82/56/43/498825643.db2.gz IWKHCLBEZNAXHN-UHFFFAOYSA-N -1 3 370.428 3.101 20 0 FGADHM CC(C)[C@@H]([N-]S(=O)(=O)c1cccc2c1N=S=N2)C(=O)OC(C)(C)C ZINC000325474426 498836888 /nfs/dbraw/zinc/83/68/88/498836888.db2.gz GOZREPYUQOACKD-GFCCVEGCSA-N -1 3 371.484 3.058 20 0 FGADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CC[C@@](CO)(c2ccccc2)C1 ZINC000291212472 498846591 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Cc1nc2c(s1)[C@H]([N-]S(=O)(=O)Cc1c(F)cccc1F)CCC2 ZINC000371590237 499345115 /nfs/dbraw/zinc/34/51/15/499345115.db2.gz XVLHIAMYPMRTJV-CQSZACIVSA-N -1 3 358.435 3.227 20 0 FGADHM COC(=O)C[C@H]1CN(C(=O)c2cc(C)cc(OC)c2[O-])c2ccccc21 ZINC000371786851 499365629 /nfs/dbraw/zinc/36/56/29/499365629.db2.gz QNHCBQYEMUESNB-ZDUSSCGKSA-N -1 3 355.390 3.016 20 0 FGADHM COc1ccc2cc(C(=O)N=c3[nH][n-]c(-c4ccncc4)c3C)c(C)nc2c1 ZINC000371823285 499369056 /nfs/dbraw/zinc/36/90/56/499369056.db2.gz QHUNUVCFYGCWTE-UHFFFAOYSA-N -1 3 373.416 3.320 20 0 FGADHM COc1cc(-c2noc([C@@H]3Cc4ccccc4N3C(C)=O)n2)ccc1[O-] ZINC000369144056 499370386 /nfs/dbraw/zinc/37/03/86/499370386.db2.gz PRHWPCMAENVYDL-HNNXBMFYSA-N -1 3 351.362 3.101 20 0 FGADHM CCCn1nccc1C1CCN(Cc2nc3ccsc3c(=O)[n-]2)CC1 ZINC000369212094 499377955 /nfs/dbraw/zinc/37/79/55/499377955.db2.gz AGZICGCDMVJFSX-UHFFFAOYSA-N -1 3 357.483 3.383 20 0 FGADHM CC(=O)c1cccc(NC(=O)[C@H](OC2CCOCC2)c2ccccc2)c1[O-] ZINC000573209617 506144950 /nfs/dbraw/zinc/14/49/50/506144950.db2.gz IWTPBTHGSZEIQE-HXUWFJFHSA-N -1 3 369.417 3.470 20 0 FGADHM O=C([O-])c1ccccc1OCCN1CCCN(Cc2ccccc2F)CC1 ZINC000372191320 499407023 /nfs/dbraw/zinc/40/70/23/499407023.db2.gz JJSRFSZHGFFPTN-UHFFFAOYSA-N -1 3 372.440 3.111 20 0 FGADHM Cc1noc(C2(C)CCN(C(=O)c3cc([O-])c4ccccc4c3)CC2)n1 ZINC000369731119 499439396 /nfs/dbraw/zinc/43/93/96/499439396.db2.gz IFRVIEMUWBAEOO-UHFFFAOYSA-N -1 3 351.406 3.431 20 0 FGADHM CSc1ccc(C(=O)N2CC(n3cc(-c4ccccc4)nn3)C2)c([O-])c1 ZINC000373064403 499449703 /nfs/dbraw/zinc/44/97/03/499449703.db2.gz WKGHVWSMMHKLMB-UHFFFAOYSA-N -1 3 366.446 3.070 20 0 FGADHM CSc1ccc(C(=O)N[C@@H]2CCN(Cc3ccccn3)C[C@@H]2C)c([O-])c1 ZINC000373070617 499450006 /nfs/dbraw/zinc/45/00/06/499450006.db2.gz PBMMQGDVNCBPBC-KBXCAEBGSA-N -1 3 371.506 3.150 20 0 FGADHM Cc1noc2ncc(C(=O)N=c3cc(-c4ccc5ncccc5c4)o[n-]3)cc12 ZINC000373415447 499468475 /nfs/dbraw/zinc/46/84/75/499468475.db2.gz CSQHKEMJZFFTCI-UHFFFAOYSA-N -1 3 371.356 3.409 20 0 FGADHM O=C(NC1CC(N2CCC(C(F)(F)F)CC2)C1)c1ccc(F)cc1[O-] ZINC000373417801 499468733 /nfs/dbraw/zinc/46/87/33/499468733.db2.gz NTGOBAPGCLBKTE-UHFFFAOYSA-N -1 3 360.351 3.066 20 0 FGADHM COc1cccc([C@@H]([N-]S(=O)(=O)c2cccc(F)c2)c2ccccn2)c1 ZINC000373501466 499473526 /nfs/dbraw/zinc/47/35/26/499473526.db2.gz PRVHWDNBDIWGEV-LJQANCHMSA-N -1 3 372.421 3.297 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC[C@H](OCC4CC4)C3)nc2)n1 ZINC000373593556 499478692 /nfs/dbraw/zinc/47/86/92/499478692.db2.gz CXGJDPDDKZYTFB-KRWDZBQOSA-N -1 3 354.454 3.202 20 0 FGADHM C[C@@H]1CN(C(=O)c2ccc3c(c2[O-])CCCC3)C[C@]2(CCO[C@H](C)C2)O1 ZINC000373748691 499486253 /nfs/dbraw/zinc/48/62/53/499486253.db2.gz TVAZPCAHLTZLQS-VTJXTGGHSA-N -1 3 359.466 3.070 20 0 FGADHM Cc1cc([N-]C(=O)[C@@H](C)N2CCC(c3ccnc(C(C)C)n3)CC2)on1 ZINC000378249295 499494686 /nfs/dbraw/zinc/49/46/86/499494686.db2.gz FVPOOOPDAMPJCE-CQSZACIVSA-N -1 3 357.458 3.103 20 0 FGADHM Cc1nc([C@H]2CCCN(Cc3cc([O-])ccc3Br)C2)no1 ZINC000378353369 499505844 /nfs/dbraw/zinc/50/58/44/499505844.db2.gz ZPEAGOCBRWBYNF-NSHDSACASA-N -1 3 352.232 3.226 20 0 FGADHM O=C([O-])CC1(CC(=O)NC[C@@H]2CCCN2Cc2ccccc2)CCCC1 ZINC000390539946 499554763 /nfs/dbraw/zinc/55/47/63/499554763.db2.gz LBCZBXPWBCCZCZ-SFHVURJKSA-N -1 3 358.482 3.192 20 0 FGADHM Cc1ccc(C)c(C(=O)NC[C@H]2CCCN2Cc2ccccc2)c1C(=O)[O-] ZINC000390546186 499554858 /nfs/dbraw/zinc/55/48/58/499554858.db2.gz MWAKXVFWWPRHIX-GOSISDBHSA-N -1 3 366.461 3.396 20 0 FGADHM O=C([O-])[C@H]1CC12CCN(CCOc1cccc(Br)c1)CC2 ZINC000405456743 499571654 /nfs/dbraw/zinc/57/16/54/499571654.db2.gz TVLXKNXFVRXDNL-CQSZACIVSA-N -1 3 354.244 3.015 20 0 FGADHM CC(C)c1ccc(C(=O)N2CC[C@H]3[C@H](CCC(=O)N3C3CC3)C2)c([O-])c1 ZINC000408410774 499587628 /nfs/dbraw/zinc/58/76/28/499587628.db2.gz YTMVBMUMXBKNEX-QAPCUYQASA-N -1 3 356.466 3.131 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N3CCCN(C)c4ccccc43)c[n-]c12 ZINC000376184888 499589655 /nfs/dbraw/zinc/58/96/55/499589655.db2.gz CKWFTUWDNHROTN-UHFFFAOYSA-N -1 3 365.408 3.462 20 0 FGADHM CC(=O)c1ccc(C(=O)N2C[C@]3(C[C@@H]4CC[C@H]3C4)OC(C)(C)C2)cc1[O-] ZINC000408464210 499589661 /nfs/dbraw/zinc/58/96/61/499589661.db2.gz FYZKZSKLJUXLDN-ZJTDPSCFSA-N -1 3 357.450 3.405 20 0 FGADHM CS[C@@H](C)C(=O)Nc1n[n-]c(-c2ccc(Br)cc2F)n1 ZINC000409543333 499604897 /nfs/dbraw/zinc/60/48/97/499604897.db2.gz LFLINBBOIJBDER-LURJTMIESA-N -1 3 359.224 3.063 20 0 FGADHM CCc1ncc(S(=O)(=O)[N-]CCCc2c[nH]c3ccc(F)cc23)s1 ZINC000409902156 499628257 /nfs/dbraw/zinc/62/82/57/499628257.db2.gz OZAROVWJYJEPMV-UHFFFAOYSA-N -1 3 367.471 3.237 20 0 FGADHM Cn1cc2c(n1)CCC[C@H]2C(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000409965447 499632831 /nfs/dbraw/zinc/63/28/31/499632831.db2.gz IQMHIOIZXVASAJ-SNVBAGLBSA-N -1 3 355.316 3.083 20 0 FGADHM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)Cc2cc(C)cc(C)c2)o1 ZINC000410163075 499646319 /nfs/dbraw/zinc/64/63/19/499646319.db2.gz WFOAIPIQDYCNQS-QGZVFWFLSA-N -1 3 351.468 3.266 20 0 FGADHM COc1ccc(Br)c(CS(=O)(=O)[N-]c2cnccc2C)c1 ZINC000410335122 499655560 /nfs/dbraw/zinc/65/55/60/499655560.db2.gz LGTZPVZMARMHRG-UHFFFAOYSA-N -1 3 371.256 3.103 20 0 FGADHM COc1cccc(C(=O)N2CCCC[C@@H]2c2nnc(C3CCC3)o2)c1[O-] ZINC000377423252 499689206 /nfs/dbraw/zinc/68/92/06/499689206.db2.gz KJOBBNXSCHGKJO-CQSZACIVSA-N -1 3 357.410 3.419 20 0 FGADHM C[C@@H](NC(=O)NC1CCN(C(=O)c2cccc([O-])c2)CC1)c1cccs1 ZINC000377425024 499689376 /nfs/dbraw/zinc/68/93/76/499689376.db2.gz FKCKGSSUWWMMEQ-CYBMUJFWSA-N -1 3 373.478 3.119 20 0 FGADHM CCCCN(C(=O)CCc1c(C)nc(C)[n-]c1=O)[C@@H]1CCCC[C@H]1OC ZINC000411043125 499692162 /nfs/dbraw/zinc/69/21/62/499692162.db2.gz GIMLFVYTWVXRSV-QZTJIDSGSA-N -1 3 363.502 3.318 20 0 FGADHM CO[C@@H](C)c1nc(C)c(C(=O)[N-]c2cc(-c3cncc(C)c3)on2)s1 ZINC000377574695 499706081 /nfs/dbraw/zinc/70/60/81/499706081.db2.gz XELNDNYLPJHXTQ-NSHDSACASA-N -1 3 358.423 3.192 20 0 FGADHM CC(C)(CO)[C@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1)c1cccs1 ZINC000576433836 506156848 /nfs/dbraw/zinc/15/68/48/506156848.db2.gz LARJFWPSOISWDH-CQSZACIVSA-N -1 3 361.435 3.064 20 0 FGADHM C[C@@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)c1cc([O-])ccc1Cl ZINC000377891256 499745681 /nfs/dbraw/zinc/74/56/81/499745681.db2.gz CMNLDWCOASMSRC-FZKQIMNGSA-N -1 3 359.857 3.081 20 0 FGADHM CCOCCOCc1cccc(NC(=O)c2ccc(C(C)=O)c([O-])c2)c1 ZINC000411485901 499746533 /nfs/dbraw/zinc/74/65/33/499746533.db2.gz BXWXQCUOVGUNKE-UHFFFAOYSA-N -1 3 357.406 3.400 20 0 FGADHM O=C(NC1CCN(C(=O)c2cccc([O-])c2)CC1)[C@@H]1CC12CCCCC2 ZINC000378177656 499762243 /nfs/dbraw/zinc/76/22/43/499762243.db2.gz WLQKCMBQALZWRB-SFHVURJKSA-N -1 3 356.466 3.083 20 0 FGADHM CC[C@@H]1CCCC[C@H]1CNC(=O)C(=O)[N-]c1nccn1-c1ccccc1 ZINC000411568200 499764274 /nfs/dbraw/zinc/76/42/74/499764274.db2.gz JVCRHHHJJFEFHT-CVEARBPZSA-N -1 3 354.454 3.143 20 0 FGADHM CCC[C@@H](NC(=O)C(=O)[N-]c1nccn1-c1ccccc1)C1CCCC1 ZINC000411716764 499782528 /nfs/dbraw/zinc/78/25/28/499782528.db2.gz MWPUDKVJFXJFOZ-QGZVFWFLSA-N -1 3 354.454 3.286 20 0 FGADHM COC(=O)c1cc2cccc(-n3c(=O)[nH]c(CC(F)(F)F)c3[O-])c2s1 ZINC000414372867 499782612 /nfs/dbraw/zinc/78/26/12/499782612.db2.gz YJEHBMQRFPXHFE-QMMMGPOBSA-N -1 3 372.324 3.065 20 0 FGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCC[C@@H]2N(C)C)c1Cl ZINC000414462943 499795583 /nfs/dbraw/zinc/79/55/83/499795583.db2.gz ILTGWXKVXNSGSU-RYUDHWBXSA-N -1 3 351.299 3.063 20 0 FGADHM C[C@@H]1C[C@H](O)CN(Cc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)C1 ZINC000412033672 499814981 /nfs/dbraw/zinc/81/49/81/499814981.db2.gz IVAPEVBFKWVAPH-OCCSQVGLSA-N -1 3 355.463 3.267 20 0 FGADHM O=C([O-])c1cccc(CNCc2cccc(COC3CCOCC3)c2)c1 ZINC000414643723 499816819 /nfs/dbraw/zinc/81/68/19/499816819.db2.gz XXCNWUOSZMGIHE-UHFFFAOYSA-N -1 3 355.434 3.370 20 0 FGADHM CCCc1cccc(CN[C@@H]2CCN([C@H](C(=O)[O-])c3ccccc3)C2=O)c1 ZINC000414663289 499818457 /nfs/dbraw/zinc/81/84/57/499818457.db2.gz SCOYHAAJGTXJHG-UXHICEINSA-N -1 3 366.461 3.156 20 0 FGADHM Cc1cc(C)c(CN[C@H]2CCN([C@H](C(=O)[O-])c3ccccc3)C2=O)c(C)c1 ZINC000414670164 499819210 /nfs/dbraw/zinc/81/92/10/499819210.db2.gz ZCCVXUHJZIPMFQ-PMACEKPBSA-N -1 3 366.461 3.128 20 0 FGADHM C[C@H]1[C@@H](CO)CCCN1Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000412091165 499822394 /nfs/dbraw/zinc/82/23/94/499822394.db2.gz QNGMRBLBOYPRNW-NWDGAFQWSA-N -1 3 359.451 3.250 20 0 FGADHM Cc1cc([C@H]2CCCN(C(=O)c3c[n-]c4c(Cl)cccc4c3=O)C2)[nH]n1 ZINC000412145101 499827731 /nfs/dbraw/zinc/82/77/31/499827731.db2.gz CKWGJZWEBIVLJL-LBPRGKRZSA-N -1 3 370.840 3.233 20 0 FGADHM O=C(NCC1CCC(C(F)(F)F)CC1)c1c[n-]c2ccncc2c1=O ZINC000412163540 499829499 /nfs/dbraw/zinc/82/94/99/499829499.db2.gz UEZIZYXQFGGLKC-UHFFFAOYSA-N -1 3 353.344 3.022 20 0 FGADHM O=C(c1c[n-]c2c(Cl)cccc2c1=O)N1CC[C@H](C2CCOCC2)C1 ZINC000412207858 499834054 /nfs/dbraw/zinc/83/40/54/499834054.db2.gz CMYRXPDMCCSJIQ-ZDUSSCGKSA-N -1 3 360.841 3.070 20 0 FGADHM COc1ccc2c(c1)CCC[C@H]2CNC(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000412268468 499839755 /nfs/dbraw/zinc/83/97/55/499839755.db2.gz JVDLFCXLKURRGY-INIZCTEOSA-N -1 3 353.418 3.453 20 0 FGADHM COCCCC[C@H](NC(=O)c1c[n-]c2ccncc2c1=O)c1ccccc1 ZINC000412296835 499842327 /nfs/dbraw/zinc/84/23/27/499842327.db2.gz GHUFRECJOPPNDM-SFHVURJKSA-N -1 3 365.433 3.211 20 0 FGADHM C[C@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)NCc1ncccc1[O-] ZINC000412300040 499842765 /nfs/dbraw/zinc/84/27/65/499842765.db2.gz QCDQIRSHQQKBLL-LLVKDONJSA-N -1 3 354.328 3.181 20 0 FGADHM CC(C)c1ncc(CN(C)C(=O)c2c[n-]c3c(Cl)cccc3c2=O)cn1 ZINC000412325903 499845063 /nfs/dbraw/zinc/84/50/63/499845063.db2.gz YWEPHZPYDOZAFV-UHFFFAOYSA-N -1 3 370.840 3.367 20 0 FGADHM O=C(N[C@@H]1CCC[C@H](CO)C1)c1cc(OCc2ccccc2)ccc1[O-] ZINC000412916255 499896125 /nfs/dbraw/zinc/89/61/25/499896125.db2.gz PVXYNIIKDRQGKG-DLBZAZTESA-N -1 3 355.434 3.252 20 0 FGADHM Cc1nc(C)c(CCC(=O)Nc2cccc(-c3ncco3)c2C)c(=O)[n-]1 ZINC000428879347 499952601 /nfs/dbraw/zinc/95/26/01/499952601.db2.gz FGOFAVXECWYIKF-UHFFFAOYSA-N -1 3 352.394 3.334 20 0 FGADHM C[C@@H](c1cccc(NCc2cc(=O)[n-]c(C3CC3)n2)c1)N1CCOCC1 ZINC000417040949 499955856 /nfs/dbraw/zinc/95/58/56/499955856.db2.gz VTIUYEPTDWUQHN-AWEZNQCLSA-N -1 3 354.454 3.065 20 0 FGADHM CC[C@H](CS(=O)(=O)[N-]c1ccc(-c2cn3ccsc3n2)cc1)OC ZINC000421137830 499968539 /nfs/dbraw/zinc/96/85/39/499968539.db2.gz HAGITMORTOUCDM-CQSZACIVSA-N -1 3 365.480 3.230 20 0 FGADHM CCOc1ccc(F)c([N-]S(=O)(=O)C[C@@H](CC(C)C)OC)c1F ZINC000421145799 499971389 /nfs/dbraw/zinc/97/13/89/499971389.db2.gz DENJAGRHBWUVNF-LLVKDONJSA-N -1 3 351.415 3.166 20 0 FGADHM CC[C@H](CS(=O)(=O)[N-]c1ccc(Cl)c(Br)c1)OC ZINC000421149920 499972592 /nfs/dbraw/zinc/97/25/92/499972592.db2.gz IGOHPAACKGRWNJ-SECBINFHSA-N -1 3 356.669 3.269 20 0 FGADHM CC[C@H](CS(=O)(=O)[N-]c1cccc(NC(=O)C2CCCCC2)c1)OC ZINC000421148502 499972639 /nfs/dbraw/zinc/97/26/39/499972639.db2.gz GQPGIBDWIJBWTI-QGZVFWFLSA-N -1 3 368.499 3.372 20 0 FGADHM CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1cc2c(cc1Cl)CCC2=O ZINC000421168573 499981413 /nfs/dbraw/zinc/98/14/13/499981413.db2.gz YMCAAFXQGGPSRW-GFCCVEGCSA-N -1 3 359.875 3.272 20 0 FGADHM O=C(c1cc(F)c([O-])c(F)c1)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425002121 499989793 /nfs/dbraw/zinc/98/97/93/499989793.db2.gz FTEDONZTDCTIIL-KBXCAEBGSA-N -1 3 358.388 3.017 20 0 FGADHM Cc1cc(C(=O)Nc2ccc(I)c(C)n2)ccc1[O-] ZINC000429045149 499993878 /nfs/dbraw/zinc/99/38/78/499993878.db2.gz RXWAENCVEOBBNZ-UHFFFAOYSA-N -1 3 368.174 3.261 20 0 FGADHM CC[C@H](C)NC(=O)c1ccc(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)c(C)c1 ZINC000582250184 506169176 /nfs/dbraw/zinc/16/91/76/506169176.db2.gz JXSZGAAWKFVELK-LBPRGKRZSA-N -1 3 368.437 3.149 20 0 FGADHM CCOc1ccc(C(C)=O)cc1C[S@](=O)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000417172471 499994679 /nfs/dbraw/zinc/99/46/79/499994679.db2.gz HSEJAYPEAJSQMP-SANMLTNESA-N -1 3 374.462 3.110 20 0 FGADHM COC1(C(F)(F)F)CCN(C(=O)CCCc2ccc([O-])c(F)c2)CC1 ZINC000416269052 500002137 /nfs/dbraw/zinc/00/21/37/500002137.db2.gz NLTPOIDTXAVGTH-UHFFFAOYSA-N -1 3 363.351 3.424 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC[C@@H](O)C(F)(F)F)cc2)cc1 ZINC000573317325 506169648 /nfs/dbraw/zinc/16/96/48/506169648.db2.gz FLGJILOHHSMRFG-OAHLLOKOSA-N -1 3 374.384 3.131 20 0 FGADHM CC[C@H](CS(=O)(=O)[N-]c1cccc(Cl)c1Br)OC ZINC000421252489 500002840 /nfs/dbraw/zinc/00/28/40/500002840.db2.gz TZBDYLZNYKDCQI-MRVPVSSYSA-N -1 3 356.669 3.269 20 0 FGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1nc2c(s1)CC(C)(C)CC2 ZINC000416362527 500027226 /nfs/dbraw/zinc/02/72/26/500027226.db2.gz VOCIMKMTSDMYCL-UHFFFAOYSA-N -1 3 364.496 3.436 20 0 FGADHM CC(C)c1nc(S(=O)(=O)[N-][C@H](C)c2cccc(OC(F)F)c2)cn1C ZINC000416366258 500028364 /nfs/dbraw/zinc/02/83/64/500028364.db2.gz CIDIWABSTAOEBN-LLVKDONJSA-N -1 3 373.425 3.184 20 0 FGADHM Cc1sc2[n-]c(COc3nccc(C(F)(F)F)n3)nc(=O)c2c1C ZINC000573322891 506171895 /nfs/dbraw/zinc/17/18/95/506171895.db2.gz ILHAKGUIHWCAPH-UHFFFAOYSA-N -1 3 356.329 3.402 20 0 FGADHM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)c2ccc(Cl)c(OC)c2)o1 ZINC000416407876 500038257 /nfs/dbraw/zinc/03/82/57/500038257.db2.gz MPZWHKAKUVTOAR-CQSZACIVSA-N -1 3 373.858 3.170 20 0 FGADHM Cc1c([C@H](C)NCc2cnc(C)[n-]c2=O)cnn1-c1cccc(Cl)c1 ZINC000582266787 506172247 /nfs/dbraw/zinc/17/22/47/506172247.db2.gz 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CCSc1ccc([C@@H](C)NC(=O)CNC(=O)c2cccc([O-])c2)cc1 ZINC000427073175 500350565 /nfs/dbraw/zinc/35/05/65/500350565.db2.gz PSMBKQBWPNRODU-CYBMUJFWSA-N -1 3 358.463 3.111 20 0 FGADHM CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000427083234 500351697 /nfs/dbraw/zinc/35/16/97/500351697.db2.gz YDSMHROCFILDLA-ZTFGCOKTSA-N -1 3 371.485 3.206 20 0 FGADHM CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000427083234 500351699 /nfs/dbraw/zinc/35/16/99/500351699.db2.gz YDSMHROCFILDLA-ZTFGCOKTSA-N -1 3 371.485 3.206 20 0 FGADHM CC1(C)Cc2ccc(Cl)c([N-]C(=O)c3ccc(S(C)(=O)=O)o3)c2O1 ZINC000431235430 500352390 /nfs/dbraw/zinc/35/23/90/500352390.db2.gz GCFIMJRPMQNROE-UHFFFAOYSA-N -1 3 369.826 3.302 20 0 FGADHM CN(Cc1ccccc1-c1ccccc1)C(=O)CNC(=O)c1cccc([O-])c1 ZINC000427110739 500354956 /nfs/dbraw/zinc/35/49/56/500354956.db2.gz MRMCNBIQPSAZCE-UHFFFAOYSA-N -1 3 374.440 3.448 20 0 FGADHM Cc1ccc(C(=O)CC(C)(C)CC(=O)Nc2c(C)[nH]c(=O)[n-]c2=O)cc1 ZINC000427172133 500362888 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3 369.817 3.179 20 0 FGADHM CC[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(OC)c(Cl)c2Cl)CCO1 ZINC000420730163 500492380 /nfs/dbraw/zinc/49/23/80/500492380.db2.gz RGSFYJQBJNBVCW-ZJUUUORDSA-N -1 3 368.282 3.238 20 0 FGADHM CC(C)SCC[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000420737302 500493426 /nfs/dbraw/zinc/49/34/26/500493426.db2.gz WGJPTTLJUQMRLJ-UHFFFAOYSA-N -1 3 359.847 3.361 20 0 FGADHM O=S(=O)([N-][C@H](c1ccccc1)C1(CO)CCC1)c1cc(F)cc(F)c1 ZINC000432303886 500496041 /nfs/dbraw/zinc/49/60/41/500496041.db2.gz ZEIQIPBOFHLDCP-QGZVFWFLSA-N -1 3 367.417 3.147 20 0 FGADHM CC(C)C1CCC(N2CCN(C(=O)NCCC(C)(C)C(=O)[O-])CC2)CC1 ZINC000424402123 500497857 /nfs/dbraw/zinc/49/78/57/500497857.db2.gz FUAWQTMTLNOVPY-UHFFFAOYSA-N -1 3 367.534 3.029 20 0 FGADHM Cc1ncn(-c2ccc(NC(=O)c3cc(F)cc4[n-]nnc43)cc2)c1C ZINC000428585311 500530070 /nfs/dbraw/zinc/53/00/70/500530070.db2.gz YDPSPMMSAOFEQR-UHFFFAOYSA-N -1 3 350.357 3.152 20 0 FGADHM Cc1ncn(-c2ccc(NC(=O)c3cc(F)cc4nn[n-]c43)cc2)c1C ZINC000428585311 500530071 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Cc1cc(C(=O)NCc2ccccc2CN2C[C@@H](C)O[C@H](C)C2)ccc1[O-] ZINC000436934364 500573031 /nfs/dbraw/zinc/57/30/31/500573031.db2.gz SINGCEVKCRBRCJ-IAGOWNOFSA-N -1 3 368.477 3.240 20 0 FGADHM CC[C@@H]1Oc2cc([C@@H](C)NC(=O)c3ccc([O-])c(C)c3)ccc2NC1=O ZINC000436939670 500575249 /nfs/dbraw/zinc/57/52/49/500575249.db2.gz POQNNLXLIVMLCH-PXAZEXFGSA-N -1 3 354.406 3.301 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N[C@H](c2cccs2)C2CC2)c([O-])c1 ZINC000436949497 500576793 /nfs/dbraw/zinc/57/67/93/500576793.db2.gz SFMOYGGFZWTMCI-SFHVURJKSA-N -1 3 358.463 3.150 20 0 FGADHM O=C(c1ccc2c(c1[O-])CCCC2)N1CCN(c2ccc(Cl)cn2)CC1 ZINC000436954369 500578187 /nfs/dbraw/zinc/57/81/87/500578187.db2.gz WBEOSQNHSNRSEF-UHFFFAOYSA-N -1 3 371.868 3.282 20 0 FGADHM COc1ccc(CNC(=O)c2ccc3c(c2[O-])CCCC3)cc1NC(C)=O ZINC000436955469 500578573 /nfs/dbraw/zinc/57/85/73/500578573.db2.gz GGRFAILVERWDHP-UHFFFAOYSA-N -1 3 368.433 3.168 20 0 FGADHM O=C(NCC1(N2CCSCC2)CCCCC1)c1c([O-])cccc1F ZINC000436957922 500579188 /nfs/dbraw/zinc/57/91/88/500579188.db2.gz YENAUISRFSUFTQ-UHFFFAOYSA-N -1 3 352.475 3.013 20 0 FGADHM CC[C@@H](NC(=O)c1ccc2c(c1[O-])CCCC2)c1nnc2n1CCCCC2 ZINC000436960560 500580192 /nfs/dbraw/zinc/58/01/92/500580192.db2.gz RLBQTHUDTLNFEA-QGZVFWFLSA-N -1 3 368.481 3.470 20 0 FGADHM CC(C)(CC(=O)Nc1nnc(-c2ccccn2)[n-]1)CC(=O)c1ccccc1 ZINC000442304234 500580867 /nfs/dbraw/zinc/58/08/67/500580867.db2.gz MBJNUSJPZHTZKT-UHFFFAOYSA-N -1 3 363.421 3.495 20 0 FGADHM CC(C)(CC(=O)Nc1nc(-c2ccccn2)n[n-]1)CC(=O)c1ccccc1 ZINC000442304234 500580870 /nfs/dbraw/zinc/58/08/70/500580870.db2.gz MBJNUSJPZHTZKT-UHFFFAOYSA-N -1 3 363.421 3.495 20 0 FGADHM CC(C)(CC(=O)Nc1n[n-]c(-c2ccccn2)n1)CC(=O)c1ccccc1 ZINC000442304234 500580873 /nfs/dbraw/zinc/58/08/73/500580873.db2.gz MBJNUSJPZHTZKT-UHFFFAOYSA-N -1 3 363.421 3.495 20 0 FGADHM O=S(=O)([N-]c1cccc(F)c1-c1nc[nH]n1)c1cccc(Cl)c1 ZINC000447256093 500581153 /nfs/dbraw/zinc/58/11/53/500581153.db2.gz JQHMYHLXLQLPJS-UHFFFAOYSA-N -1 3 352.778 3.065 20 0 FGADHM C[C@H](CC[S@](C)=O)NC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436969763 500582846 /nfs/dbraw/zinc/58/28/46/500582846.db2.gz BEHDGHIAVDMKFB-BZQUYTCOSA-N -1 3 359.491 3.064 20 0 FGADHM Cc1cccc(C)c1[C@@H](C)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436975987 500584582 /nfs/dbraw/zinc/58/45/82/500584582.db2.gz ACPANGXSPUFGLC-AEFFLSMTSA-N -1 3 366.461 3.491 20 0 FGADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N3CC[C@@H]3C(C)C)cs2)c1 ZINC000436976429 500584873 /nfs/dbraw/zinc/58/48/73/500584873.db2.gz BPTXDVBYLDKYRT-OAHLLOKOSA-N -1 3 373.478 3.209 20 0 FGADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N3C[C@H](C)[C@@H](C)C3)cs2)c1 ZINC000436978128 500585306 /nfs/dbraw/zinc/58/53/06/500585306.db2.gz GMMUWHSLHFVHBL-STQMWFEESA-N -1 3 373.478 3.066 20 0 FGADHM CCCCOc1ccc(C(=O)N[C@@H]2C[C@@H](OCC)[C@@]23CCCO3)c([O-])c1 ZINC000436982211 500586198 /nfs/dbraw/zinc/58/61/98/500586198.db2.gz SJWAMBDSPMBCGG-QWFCFKBJSA-N -1 3 363.454 3.028 20 0 FGADHM CC(C)n1cc(S(=O)(=O)[N-][C@H](c2cc(F)ccc2F)C(F)F)cn1 ZINC000432963497 500598288 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C[C@@H]([N-]S(=O)(=O)c1c(Cl)ccc2ccccc21)C(=O)NC(C)(C)C ZINC000440379371 501001755 /nfs/dbraw/zinc/00/17/55/501001755.db2.gz MPTYLTSNHXRPNZ-LLVKDONJSA-N -1 3 368.886 3.075 20 0 FGADHM CC(C)(NCc1cc([O-])cc(C(F)(F)F)c1)c1nnc2n1CCCC2 ZINC000449462893 501008701 /nfs/dbraw/zinc/00/87/01/501008701.db2.gz USMZGDGXTOCUFF-UHFFFAOYSA-N -1 3 354.376 3.364 20 0 FGADHM O=C(NCc1c(F)cc(F)c(F)c1F)c1c[n-]c2ccccc2c1=O ZINC000435911308 501045532 /nfs/dbraw/zinc/04/55/32/501045532.db2.gz KUIGBSQWWXMRIL-UHFFFAOYSA-N -1 3 350.271 3.015 20 0 FGADHM CSC1(C[N-]S(=O)(=O)c2cc(F)ccc2Br)CCC1 ZINC000435924780 501046855 /nfs/dbraw/zinc/04/68/55/501046855.db2.gz BWXKFPGWGMQDSJ-UHFFFAOYSA-N -1 3 368.293 3.152 20 0 FGADHM CO[C@H]1CCN(C(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)[C@H](C)C1 ZINC000440931059 501065211 /nfs/dbraw/zinc/06/52/11/501065211.db2.gz IUQVIRGHMVLZBS-WBMJQRKESA-N -1 3 356.426 3.189 20 0 FGADHM COc1ccc(CNCc2cnc(C3CC3)o2)c(Br)c1[O-] ZINC000449709094 501066311 /nfs/dbraw/zinc/06/63/11/501066311.db2.gz YBUYAYQXKAPETO-UHFFFAOYSA-N -1 3 353.216 3.319 20 0 FGADHM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc(OC3COC3)cc2)c1C ZINC000436153627 501079780 /nfs/dbraw/zinc/07/97/80/501079780.db2.gz PCEBGWCWPGTEFY-UHFFFAOYSA-N -1 3 361.463 3.499 20 0 FGADHM C[C@@H](CC1CCCCC1)NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000446255734 501095101 /nfs/dbraw/zinc/09/51/01/501095101.db2.gz MXRQODAQHCGQFH-INIZCTEOSA-N -1 3 373.497 3.219 20 0 FGADHM CCOC(=O)c1ccc(NC(=O)[C@@H](C)OCc2ccc(F)cc2)c([O-])c1 ZINC000449874958 501114262 /nfs/dbraw/zinc/11/42/62/501114262.db2.gz CPNQMIOXQYERQB-GFCCVEGCSA-N -1 3 361.369 3.252 20 0 FGADHM C[C@@H](NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F)c1ccccc1F ZINC000441335943 501122481 /nfs/dbraw/zinc/12/24/81/501122481.db2.gz ZLKFDYPZSMIHHA-LLVKDONJSA-N -1 3 374.840 3.247 20 0 FGADHM O=C(Cc1ccc([O-])c(F)c1)NC1(c2ccc(F)cc2F)CCOCC1 ZINC000450452335 501125267 /nfs/dbraw/zinc/12/52/67/501125267.db2.gz MFBJAQBFRLOONI-UHFFFAOYSA-N -1 3 365.351 3.174 20 0 FGADHM Cc1nc(-c2ccc([N-]S(=O)(=O)c3c[nH]c(=O)s3)cc2)cs1 ZINC000436479300 501135172 /nfs/dbraw/zinc/13/51/72/501135172.db2.gz QFRSDWNRZAAKJD-UHFFFAOYSA-N -1 3 353.450 3.081 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)NC2CC(C)(c3ccccc3)C2)c([O-])c1 ZINC000436484059 501136066 /nfs/dbraw/zinc/13/60/66/501136066.db2.gz DDBQAPJTWILSIL-UHFFFAOYSA-N -1 3 366.461 3.057 20 0 FGADHM COc1cccc(C(=O)Nc2ccc(O[C@@H]3CCCC[C@@H]3O)cc2)c1[O-] ZINC000436488153 501136906 /nfs/dbraw/zinc/13/69/06/501136906.db2.gz DDQBZOYQJOAABP-DLBZAZTESA-N -1 3 357.406 3.335 20 0 FGADHM CCOc1ccccc1CN1CCN(C(=O)c2cc(C)ccc2[O-])[C@H](C)C1 ZINC000441430665 501137529 /nfs/dbraw/zinc/13/75/29/501137529.db2.gz BJMZXZIWLVIYAT-QGZVFWFLSA-N -1 3 368.477 3.446 20 0 FGADHM COC(=O)c1cc(S(=O)(=O)N(C)c2cccc3ccccc32)ccc1[O-] ZINC000436488684 501137976 /nfs/dbraw/zinc/13/79/76/501137976.db2.gz STVRZNXIFDYOJQ-UHFFFAOYSA-N -1 3 371.414 3.157 20 0 FGADHM COc1cccc(Cc2nnc(NC(=O)c3cccc(OC)c3[O-])s2)c1 ZINC000436492482 501137992 /nfs/dbraw/zinc/13/79/92/501137992.db2.gz VHQIXAWVUQLHJN-UHFFFAOYSA-N -1 3 371.418 3.104 20 0 FGADHM COC(=O)[C@]1(C)CN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C[C@H]1C ZINC000436516943 501145852 /nfs/dbraw/zinc/14/58/52/501145852.db2.gz VUXZZBKESYHIPM-SPLOXXLWSA-N -1 3 369.417 3.456 20 0 FGADHM COc1ccc(CN(CC2CC2)C(=O)c2cc(OC)ccc2[O-])c(OC)c1 ZINC000436522093 501147220 /nfs/dbraw/zinc/14/72/20/501147220.db2.gz RLNSXSVGTLXZOT-UHFFFAOYSA-N -1 3 371.433 3.470 20 0 FGADHM CC(C)c1ccc(C(=O)N2CCO[C@@H](COc3ccccc3)C2)c([O-])c1 ZINC000436523812 501147540 /nfs/dbraw/zinc/14/75/40/501147540.db2.gz WRSNTWAQMWKVNN-GOSISDBHSA-N -1 3 355.434 3.436 20 0 FGADHM O=C(c1ccccc1[O-])N1CCC(N[C@@H](Cc2ccccc2)C(F)F)CC1 ZINC000436525678 501147780 /nfs/dbraw/zinc/14/77/80/501147780.db2.gz HBEXXSUBRNTYIP-SFHVURJKSA-N -1 3 374.431 3.463 20 0 FGADHM CC(=O)c1ccc(C(=O)N2CCN(c3ccccc3Cl)CC2)cc1[O-] ZINC000436527923 501148344 /nfs/dbraw/zinc/14/83/44/501148344.db2.gz VGUAFOGKHVMERS-UHFFFAOYSA-N -1 3 358.825 3.211 20 0 FGADHM CC(=O)c1ccc(C(=O)N[C@H](C)c2ccc(NC(=O)C3CC3)cc2)cc1[O-] ZINC000436534919 501149704 /nfs/dbraw/zinc/14/97/04/501149704.db2.gz YTIFELYUHYRRHP-GFCCVEGCSA-N -1 3 366.417 3.434 20 0 FGADHM O=C(Nc1ccc(CCN2CCSCC2)cc1)c1ccc(F)cc1[O-] ZINC000436536618 501150099 /nfs/dbraw/zinc/15/00/99/501150099.db2.gz DMGXKDFRJUMJMT-UHFFFAOYSA-N -1 3 360.454 3.375 20 0 FGADHM CCCC[C@H]1CCC[C@H]1NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436533375 501150246 /nfs/dbraw/zinc/15/02/46/501150246.db2.gz HYCOZOMIZCZQIE-FUHWJXTLSA-N -1 3 373.497 3.219 20 0 FGADHM CCC1CCC(CNC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])CC1 ZINC000436538336 501150820 /nfs/dbraw/zinc/15/08/20/501150820.db2.gz QKQPGDCTNAKBEX-HTWSVDAQSA-N -1 3 358.482 3.329 20 0 FGADHM Cc1ccc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccccc2C)c([O-])c1C ZINC000436537978 501151170 /nfs/dbraw/zinc/15/11/70/501151170.db2.gz ZHXPAFVXSUASKF-QGZVFWFLSA-N -1 3 370.474 3.471 20 0 FGADHM CC[C@H]1Oc2cc([C@@H](C)NC(=O)Cc3ccc([O-])c(F)c3)ccc2NC1=O ZINC000450009899 501153687 /nfs/dbraw/zinc/15/36/87/501153687.db2.gz NVWHXRJBCSKNDZ-PIGZYNQJSA-N -1 3 372.396 3.061 20 0 FGADHM COc1cc(OC)c(CCNC(=O)c2ccc(C)c(C)c2[O-])c(OC)c1 ZINC000436552687 501155025 /nfs/dbraw/zinc/15/50/25/501155025.db2.gz ARYRKTFLFWGZQJ-UHFFFAOYSA-N -1 3 359.422 3.007 20 0 FGADHM CCOC(=O)[C@H](Cc1ccccc1)N(C(=O)c1cc(C)ccc1[O-])C1CC1 ZINC000436554162 501155205 /nfs/dbraw/zinc/15/52/05/501155205.db2.gz ISJDQHMTAFXFED-IBGZPJMESA-N -1 3 367.445 3.480 20 0 FGADHM CC(C)c1ccc(C(=O)N(C)[C@H]2CCN(c3ccccc3)C2=O)c([O-])c1 ZINC000436551963 501155209 /nfs/dbraw/zinc/15/52/09/501155209.db2.gz ANMBJPSGYCMRRV-SFHVURJKSA-N -1 3 352.434 3.393 20 0 FGADHM CCOC(=O)C[C@@H](NC(=O)Cc1ccc([O-])c(F)c1)c1ccccc1C ZINC000450021900 501157247 /nfs/dbraw/zinc/15/72/47/501157247.db2.gz ACTKMMGIEORCSE-QGZVFWFLSA-N -1 3 359.397 3.193 20 0 FGADHM CCOc1cc(C(=O)N(C)C)ccc1NC(=O)c1ccc(C)c(C)c1[O-] ZINC000436574538 501160267 /nfs/dbraw/zinc/16/02/67/501160267.db2.gz GFXCGNZWLYQOHR-UHFFFAOYSA-N -1 3 356.422 3.362 20 0 FGADHM Cn1cc([C@H](NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)C(C)(C)C)cn1 ZINC000436575728 501160324 /nfs/dbraw/zinc/16/03/24/501160324.db2.gz OVMJVBOZCQDTCW-KRWDZBQOSA-N -1 3 357.454 3.356 20 0 FGADHM C[C@](O)(CNC(=O)c1cc(Oc2ccccc2)ccc1[O-])C(F)(F)F ZINC000436577652 501161486 /nfs/dbraw/zinc/16/14/86/501161486.db2.gz OUZCONHJDFPCLW-INIZCTEOSA-N -1 3 355.312 3.228 20 0 FGADHM O=C(Cc1ccc([O-])c(F)c1)N1CC[C@@H](OCCCc2ccccc2)C1 ZINC000450057764 501166721 /nfs/dbraw/zinc/16/67/21/501166721.db2.gz FTUPNIVRWWRMPC-GOSISDBHSA-N -1 3 357.425 3.324 20 0 FGADHM COC(=O)[C@H](CC(F)F)NC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436604790 501168411 /nfs/dbraw/zinc/16/84/11/501168411.db2.gz OQHYFSAMDDCSBD-AWEZNQCLSA-N -1 3 365.332 3.111 20 0 FGADHM COc1ccc(N(C)C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)c(OC)c1 ZINC000436607255 501168628 /nfs/dbraw/zinc/16/86/28/501168628.db2.gz ONLSYOBLGGGQKF-UHFFFAOYSA-N -1 3 357.406 3.400 20 0 FGADHM CC(=O)c1ccc(C(=O)Nc2cccc(C(=O)N3CCCCC3)c2)cc1[O-] ZINC000436607894 501169243 /nfs/dbraw/zinc/16/92/43/501169243.db2.gz SPWADIWKPBFQLX-UHFFFAOYSA-N -1 3 366.417 3.473 20 0 FGADHM COC(=O)CC1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CC1 ZINC000436613917 501169722 /nfs/dbraw/zinc/16/97/22/501169722.db2.gz XZNDERFXATYVES-UHFFFAOYSA-N -1 3 367.445 3.398 20 0 FGADHM CC[C@H](C)NC(=O)[C@H](C)NC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436612194 501169837 /nfs/dbraw/zinc/16/98/37/501169837.db2.gz LYELBFKIYPPWNJ-HOTGVXAUSA-N -1 3 368.477 3.210 20 0 FGADHM CN1CCN(C(=O)c2cc(OCc3ccccc3)ccc2[O-])C(C)(C)C1 ZINC000436615449 501169871 /nfs/dbraw/zinc/16/98/71/501169871.db2.gz DTLRYXVTQKAHBN-UHFFFAOYSA-N -1 3 354.450 3.137 20 0 FGADHM O=c1c(-c2nc(-c3ccc([O-])c4ccccc34)no2)cnc2ccccn21 ZINC000436616225 501170333 /nfs/dbraw/zinc/17/03/33/501170333.db2.gz HXFSZBGTRQWQRY-UHFFFAOYSA-N -1 3 356.341 3.270 20 0 FGADHM CS[C@@H]1CN(C(=O)c2ccc3ccccc3c2[O-])C[C@@H]1N1CCCC1 ZINC000436619426 501171232 /nfs/dbraw/zinc/17/12/32/501171232.db2.gz WJOZWQOFZLGLOP-ZWKOTPCHSA-N -1 3 356.491 3.197 20 0 FGADHM O=C(Cc1ccccc1)NCc1nc(-c2ccc([O-])c3ccccc23)no1 ZINC000436619644 501171286 /nfs/dbraw/zinc/17/12/86/501171286.db2.gz SHGHDNRMLOGLKM-UHFFFAOYSA-N -1 3 359.385 3.454 20 0 FGADHM COc1ccc([C@@H]2CCCN2C(=O)c2ccc([O-])c(OC)c2)cc1OC ZINC000436632836 501174636 /nfs/dbraw/zinc/17/46/36/501174636.db2.gz CYAUNKRXAYBZGM-HNNXBMFYSA-N -1 3 357.406 3.395 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)NC[C@@H](C)Sc2ccccc2)c([O-])c1 ZINC000436641193 501176555 /nfs/dbraw/zinc/17/65/55/501176555.db2.gz USBABAPFRYZKQQ-OAHLLOKOSA-N -1 3 372.490 3.118 20 0 FGADHM CC(C)c1ccc(C(=O)Nc2cccc(CN3CC[C@H](O)C3)c2)c([O-])c1 ZINC000436646110 501178142 /nfs/dbraw/zinc/17/81/42/501178142.db2.gz FGJIUHZHYGQYSE-SFHVURJKSA-N -1 3 354.450 3.335 20 0 FGADHM CC(=O)c1ccc(C(=O)NCCc2nc(C(F)(F)F)cs2)cc1[O-] ZINC000436653425 501179858 /nfs/dbraw/zinc/17/98/58/501179858.db2.gz DZSJHQMIGPNSKD-UHFFFAOYSA-N -1 3 358.341 3.043 20 0 FGADHM CCOc1nc2cc(C(=O)NCc3nnc(C(C)(C)C)s3)ccc2[n-]1 ZINC000450105933 501182634 /nfs/dbraw/zinc/18/26/34/501182634.db2.gz MLPZIHLYRSSNGH-UHFFFAOYSA-N -1 3 359.455 3.041 20 0 FGADHM CCOc1nc2ccc(C(=O)NCc3nnc(C(C)(C)C)s3)cc2[n-]1 ZINC000450105933 501182640 /nfs/dbraw/zinc/18/26/40/501182640.db2.gz MLPZIHLYRSSNGH-UHFFFAOYSA-N -1 3 359.455 3.041 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N[C@H]2CCc3cc(Cl)ccc32)c([O-])c1 ZINC000436666984 501183304 /nfs/dbraw/zinc/18/33/04/501183304.db2.gz SHFFLSYJWIWPKN-KRWDZBQOSA-N -1 3 372.852 3.278 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N[C@H](C)c2cc3ccccc3o2)c([O-])c1 ZINC000436668364 501183564 /nfs/dbraw/zinc/18/35/64/501183564.db2.gz WPFHLVCTHSMCHX-CQSZACIVSA-N -1 3 366.417 3.444 20 0 FGADHM CCOc1nc2cc(C(=O)N[C@@H](c3cnn(C)c3)C(C)(C)C)ccc2[n-]1 ZINC000450116499 501185380 /nfs/dbraw/zinc/18/53/80/501185380.db2.gz GVDIQNYHBBRWKS-INIZCTEOSA-N -1 3 355.442 3.212 20 0 FGADHM CCOc1nc2ccc(C(=O)N[C@@H](c3cnn(C)c3)C(C)(C)C)cc2[n-]1 ZINC000450116499 501185383 /nfs/dbraw/zinc/18/53/83/501185383.db2.gz GVDIQNYHBBRWKS-INIZCTEOSA-N -1 3 355.442 3.212 20 0 FGADHM CC(C)(C)OCc1cc(CNC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)no1 ZINC000436678232 501186446 /nfs/dbraw/zinc/18/64/46/501186446.db2.gz ZSOJYCGOAISAEI-UHFFFAOYSA-N -1 3 374.437 3.339 20 0 FGADHM COc1cc(CN(C)C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)cc(OC)c1 ZINC000436684033 501188084 /nfs/dbraw/zinc/18/80/84/501188084.db2.gz XQWUQVIVSDUGQJ-UHFFFAOYSA-N -1 3 371.433 3.395 20 0 FGADHM Cc1ccc2ncnc(NC3CCN(C(=O)c4ccccc4[O-])CC3)c2c1 ZINC000436703839 501192346 /nfs/dbraw/zinc/19/23/46/501192346.db2.gz JRDYVCLNBTWJRQ-UHFFFAOYSA-N -1 3 362.433 3.361 20 0 FGADHM CCOc1cc2c(cc1CNC(=O)c1cccc(OC)c1[O-])O[C@@H](C)C2 ZINC000436706885 501193194 /nfs/dbraw/zinc/19/31/94/501193194.db2.gz QBUCLLXKPTZMRT-LBPRGKRZSA-N -1 3 357.406 3.053 20 0 FGADHM COc1cccc(C(=O)N[C@@H]2CC[C@H](c3ccccc3)C[C@H]2OC)c1[O-] ZINC000436712257 501193973 /nfs/dbraw/zinc/19/39/73/501193973.db2.gz FLJGYSVLTYSDHE-KVSKMBFKSA-N -1 3 355.434 3.482 20 0 FGADHM COc1cccc(C(=O)N[C@@H]2CC[C@@H](c3ccccc3)C[C@H]2OC)c1[O-] ZINC000436712260 501194565 /nfs/dbraw/zinc/19/45/65/501194565.db2.gz FLJGYSVLTYSDHE-SZVBFZGTSA-N -1 3 355.434 3.482 20 0 FGADHM Cc1cccc(C(=O)NCCc2cnc(SC3CCCC3)nc2)c1[O-] ZINC000436727904 501197842 /nfs/dbraw/zinc/19/78/42/501197842.db2.gz FDIKVPUUGSMUHA-UHFFFAOYSA-N -1 3 357.479 3.498 20 0 FGADHM C[C@H]1CN(C(=O)c2cc(Br)ccc2[O-])CCN(C2CCC2)C1 ZINC000436730285 501198616 /nfs/dbraw/zinc/19/86/16/501198616.db2.gz FIKXULJKUDQQBY-GFCCVEGCSA-N -1 3 367.287 3.101 20 0 FGADHM COc1c(NC(=O)c2cc3c(cc2[O-])CCCC3)cc(Cl)cc1C(N)=O ZINC000436728912 501199066 /nfs/dbraw/zinc/19/90/66/501199066.db2.gz DIWPONJDMLKGTF-UHFFFAOYSA-N -1 3 374.824 3.284 20 0 FGADHM C[C@@H](c1ccc2c(c1)CCC2)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436731900 501199481 /nfs/dbraw/zinc/19/94/81/501199481.db2.gz OBCYZTYVDUBKPW-INIZCTEOSA-N -1 3 350.462 3.400 20 0 FGADHM COc1ccc(Cn2cc(NC(=O)c3cc(C)cc(OC)c3[O-])cn2)cc1 ZINC000436731926 501199597 /nfs/dbraw/zinc/19/95/97/501199597.db2.gz RMEHCFQQDWPBDZ-UHFFFAOYSA-N -1 3 367.405 3.215 20 0 FGADHM CC1CC(C(=O)NCc2nnc(C(F)(F)F)[n-]2)(c2cccc(Cl)c2)C1 ZINC000450747887 501199638 /nfs/dbraw/zinc/19/96/38/501199638.db2.gz QYBKPCKGXGNLNL-UHFFFAOYSA-N -1 3 372.778 3.461 20 0 FGADHM CC1CC(C(=O)NCc2n[n-]c(C(F)(F)F)n2)(c2cccc(Cl)c2)C1 ZINC000450747887 501199640 /nfs/dbraw/zinc/19/96/40/501199640.db2.gz QYBKPCKGXGNLNL-UHFFFAOYSA-N -1 3 372.778 3.461 20 0 FGADHM CC1CC(C(=O)NCc2nc(C(F)(F)F)n[n-]2)(c2cccc(Cl)c2)C1 ZINC000450747887 501199642 /nfs/dbraw/zinc/19/96/42/501199642.db2.gz QYBKPCKGXGNLNL-UHFFFAOYSA-N -1 3 372.778 3.461 20 0 FGADHM Cc1ccc(C(=O)N(CCO)Cc2cccc(Br)c2)c([O-])c1 ZINC000436733993 501200137 /nfs/dbraw/zinc/20/01/37/501200137.db2.gz JFCANZTYDZYLBM-UHFFFAOYSA-N -1 3 364.239 3.098 20 0 FGADHM CN(CCCN(C)C(=O)c1cc(F)cc(Cl)c1[O-])Cc1ccco1 ZINC000436737111 501200998 /nfs/dbraw/zinc/20/09/98/501200998.db2.gz KUGQQBYFLLFEOU-UHFFFAOYSA-N -1 3 354.809 3.372 20 0 FGADHM C[C@@H](CNC(=O)c1cc(Oc2ccccc2)ccc1[O-])N1CCCCC1=O ZINC000436738106 501201666 /nfs/dbraw/zinc/20/16/66/501201666.db2.gz NDLOHFIWCKWYCL-HNNXBMFYSA-N -1 3 368.433 3.315 20 0 FGADHM CN(C)Cc1cc(CNC(=O)c2cc3c(cc2[O-])CCCC3)ccc1F ZINC000436746582 501203391 /nfs/dbraw/zinc/20/33/91/501203391.db2.gz YXZXTGVORMGPJT-UHFFFAOYSA-N -1 3 356.441 3.402 20 0 FGADHM O=C(NCc1ccc(Cn2ccnc2)cc1)c1cc2c(cc1[O-])CCCC2 ZINC000436753424 501204750 /nfs/dbraw/zinc/20/47/50/501204750.db2.gz DXESGDFGKOMDBQ-UHFFFAOYSA-N -1 3 361.445 3.446 20 0 FGADHM COc1ccc(C(=O)N2CCC[C@H]2c2cc(OC)ccc2OC)c([O-])c1 ZINC000436754075 501204752 /nfs/dbraw/zinc/20/47/52/501204752.db2.gz GZLHYCGAPKRELG-KRWDZBQOSA-N -1 3 357.406 3.395 20 0 FGADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCN(c2ccccn2)CC1 ZINC000436756917 501206182 /nfs/dbraw/zinc/20/61/82/501206182.db2.gz SNGIKZOAPLSTTE-UHFFFAOYSA-N -1 3 373.456 3.340 20 0 FGADHM Cc1ccc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccccc2)c([O-])c1C ZINC000436759601 501206939 /nfs/dbraw/zinc/20/69/39/501206939.db2.gz CGCMRAOZEMUKIM-MRXNPFEDSA-N -1 3 356.447 3.163 20 0 FGADHM CC1(C)Cc2ccc(C(=O)NCc3ccc(-n4cccn4)cc3)c([O-])c2O1 ZINC000436772310 501208729 /nfs/dbraw/zinc/20/87/29/501208729.db2.gz DSSGDMJPNPHXRM-UHFFFAOYSA-N -1 3 363.417 3.221 20 0 FGADHM CC1(C)Cc2ccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)c([O-])c2O1 ZINC000436784245 501211036 /nfs/dbraw/zinc/21/10/36/501211036.db2.gz WKESHHTYAMLILC-UHFFFAOYSA-N -1 3 370.424 3.207 20 0 FGADHM CCOC(=O)Cn1ccc2cc(NC(=O)c3cccc(C)c3[O-])ccc21 ZINC000436790246 501211977 /nfs/dbraw/zinc/21/19/77/501211977.db2.gz GHNDGHGYNRKHFC-UHFFFAOYSA-N -1 3 352.390 3.471 20 0 FGADHM Cc1ccc(C(=O)NC[C@H](c2cccc(Cl)c2)N2CCOCC2)c([O-])c1 ZINC000436796117 501212633 /nfs/dbraw/zinc/21/26/33/501212633.db2.gz UHKQPXZMXMLRLR-GOSISDBHSA-N -1 3 374.868 3.157 20 0 FGADHM CCOC(=O)Cn1ccc2cc(NC(=O)c3ccc(C)cc3[O-])ccc21 ZINC000436792700 501212841 /nfs/dbraw/zinc/21/28/41/501212841.db2.gz PEYRUJMSOGGJOJ-UHFFFAOYSA-N -1 3 352.390 3.471 20 0 FGADHM CCc1ccc(-c2nc(-c3ccc([O-])c(OC)c3)no2)cc1S(C)(=O)=O ZINC000436818556 501215972 /nfs/dbraw/zinc/21/59/72/501215972.db2.gz FSFMDDPZLIUGBH-UHFFFAOYSA-N -1 3 374.418 3.084 20 0 FGADHM CCc1ccc(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(F)cc2)c([O-])c1 ZINC000436820129 501216556 /nfs/dbraw/zinc/21/65/56/501216556.db2.gz KVKSUQOQTSXNHE-INIZCTEOSA-N -1 3 374.437 3.248 20 0 FGADHM CCc1nc(-c2nc(-c3ccc([O-])c(OC)c3)no2)nn1-c1ccccc1 ZINC000436823763 501216897 /nfs/dbraw/zinc/21/68/97/501216897.db2.gz XAWDILVLDIWWHJ-UHFFFAOYSA-N -1 3 363.377 3.261 20 0 FGADHM COC[C@@H](NC(=O)c1cc(NC(C)=O)ccc1[O-])c1ccc(Cl)cc1 ZINC000436824399 501216929 /nfs/dbraw/zinc/21/69/29/501216929.db2.gz ZMWZMTZPULDABJ-MRXNPFEDSA-N -1 3 362.813 3.122 20 0 FGADHM CCOCCOCCN(C)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436839779 501219678 /nfs/dbraw/zinc/21/96/78/501219678.db2.gz MVNDFWRAXKOQHO-UHFFFAOYSA-N -1 3 357.450 3.108 20 0 FGADHM Cc1cc(CN2CCN(C(=O)c3ccc([O-])cc3)CC2)cc2cccnc12 ZINC000436850404 501221346 /nfs/dbraw/zinc/22/13/46/501221346.db2.gz HCYNFTVQJVJEKK-UHFFFAOYSA-N -1 3 361.445 3.207 20 0 FGADHM COC(=O)[C@@H]1CCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])[C@H]1C ZINC000436864356 501223616 /nfs/dbraw/zinc/22/36/16/501223616.db2.gz YOEVWCVGTAUJNR-MAUKXSAKSA-N -1 3 367.445 3.201 20 0 FGADHM COC(=O)[C@@H]1CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])[C@H]1C ZINC000436866898 501223811 /nfs/dbraw/zinc/22/38/11/501223811.db2.gz ZMAIDSQVLWEFPA-XJKSGUPXSA-N -1 3 355.390 3.208 20 0 FGADHM CCCCO[C@H]1C[C@H](N(C)C(=O)c2cc(OC)c([O-])c(OC)c2)C1(C)C ZINC000436868852 501224702 /nfs/dbraw/zinc/22/47/02/501224702.db2.gz KTYDCFMBEZMEHT-IRXDYDNUSA-N -1 3 365.470 3.465 20 0 FGADHM CC(=O)c1ccc(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1[O-] ZINC000436871968 501225034 /nfs/dbraw/zinc/22/50/34/501225034.db2.gz VLFHSDWRDPEXHY-UHFFFAOYSA-N -1 3 363.417 3.491 20 0 FGADHM CCOCCOC1CN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])C1 ZINC000436875922 501225669 /nfs/dbraw/zinc/22/56/69/501225669.db2.gz ZBALKIOKBSGYDE-UHFFFAOYSA-N -1 3 369.461 3.055 20 0 FGADHM COc1cccc(C(=O)N[C@@H](C)c2nc(-c3ccc(F)c(C)c3)no2)c1[O-] ZINC000436886235 501227138 /nfs/dbraw/zinc/22/71/38/501227138.db2.gz RJEZITLOPUDYNJ-NSHDSACASA-N -1 3 371.368 3.389 20 0 FGADHM O=C(c1ccc([O-])cc1)N1CCN(C/C=C/c2ccc(F)c(F)c2)CC1 ZINC000436889657 501227568 /nfs/dbraw/zinc/22/75/68/501227568.db2.gz YSGGOWPBKQOZQY-OWOJBTEDSA-N -1 3 358.388 3.142 20 0 FGADHM Cc1cccc(C(=O)N[C@H]2CCCN([C@@H](C)c3ccccc3F)C2=O)c1[O-] ZINC000436900617 501229560 /nfs/dbraw/zinc/22/95/60/501229560.db2.gz DECYRPLGFVLYFO-KSSFIOAISA-N -1 3 370.424 3.322 20 0 FGADHM COc1ccc(C[C@H](C)CNC(=O)Cc2ccc([O-])c(F)c2)cc1OC ZINC000450305272 501230231 /nfs/dbraw/zinc/23/02/31/501230231.db2.gz VUHAEVYIEXGROD-ZDUSSCGKSA-N -1 3 361.413 3.086 20 0 FGADHM CC(C)c1ccc(-c2nc(-c3ccnc(S(C)(=O)=O)c3)no2)c([O-])c1 ZINC000436909430 501230760 /nfs/dbraw/zinc/23/07/60/501230760.db2.gz AJOMUICJBAAEAR-UHFFFAOYSA-N -1 3 359.407 3.031 20 0 FGADHM COc1ccc(C(=O)N[C@H](C)c2ccc(Br)cn2)c([O-])c1 ZINC000436906809 501230798 /nfs/dbraw/zinc/23/07/98/501230798.db2.gz WUMLLYDAVSXGBB-SECBINFHSA-N -1 3 351.200 3.049 20 0 FGADHM Cc1cc(C(=O)N[C@H](C)c2cc(F)ccc2N2CCN(C)CC2)ccc1[O-] ZINC000436906308 501230950 /nfs/dbraw/zinc/23/09/50/501230950.db2.gz VPSLFPWXLKHIPM-OAHLLOKOSA-N -1 3 371.456 3.083 20 0 FGADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2cscc2C(F)(F)F)CC1 ZINC000436908903 501230968 /nfs/dbraw/zinc/23/09/68/501230968.db2.gz KVRIAWVUOYGMDQ-UHFFFAOYSA-N -1 3 370.396 3.431 20 0 FGADHM COc1ccc([O-])c(-c2nc(-c3cccc(-n4c(C)c[nH]c4=O)c3)no2)c1 ZINC000436917580 501232410 /nfs/dbraw/zinc/23/24/10/501232410.db2.gz BPZNVIAARTUYRN-UHFFFAOYSA-N -1 3 364.361 3.318 20 0 FGADHM CC[C@H](NC(=O)c1ccc([O-])c(C)c1)c1ccccc1OCC(=O)N(C)C ZINC000436923616 501233796 /nfs/dbraw/zinc/23/37/96/501233796.db2.gz CXDBMHIXUXANOW-KRWDZBQOSA-N -1 3 370.449 3.049 20 0 FGADHM CO[C@@H](CS(=O)(=O)[N-]c1cc2c(cc1Cl)OCO2)c1ccccc1 ZINC000450966146 501235700 /nfs/dbraw/zinc/23/57/00/501235700.db2.gz GLKQGPKXVXKASE-INIZCTEOSA-N -1 3 369.826 3.198 20 0 FGADHM CCN1CCC([N-]S(=O)(=O)c2sc3ccccc3c2Cl)CC1 ZINC000450970244 501235881 /nfs/dbraw/zinc/23/58/81/501235881.db2.gz MWKJGAOGYLSYRV-UHFFFAOYSA-N -1 3 358.916 3.317 20 0 FGADHM COc1cc(C)c(Br)cc1S(=O)(=O)[N-][C@@H](C)C(C)(F)F ZINC000451072950 501243384 /nfs/dbraw/zinc/24/33/84/501243384.db2.gz PPRRLPMLYMLYKE-QMMMGPOBSA-N -1 3 372.231 3.088 20 0 FGADHM CCOc1ccncc1S(=O)(=O)[N-][C@H](C)c1c(F)cccc1Cl ZINC000451280062 501257194 /nfs/dbraw/zinc/25/71/94/501257194.db2.gz TVEQDPXQAPHBPZ-SNVBAGLBSA-N -1 3 358.822 3.312 20 0 FGADHM COC(=O)[C@H](C)N(C(=O)CCc1ccc2ccccc2c1[O-])C1CCC1 ZINC000451337799 501269312 /nfs/dbraw/zinc/26/93/12/501269312.db2.gz GZUSASZKBKTQDS-AWEZNQCLSA-N -1 3 355.434 3.421 20 0 FGADHM O=S(=O)([N-]C[C@@H]1CCN(Cc2ccccc2)C1)c1sccc1Cl ZINC000451480224 501302012 /nfs/dbraw/zinc/30/20/12/501302012.db2.gz PROXTUQXEDMYBD-AWEZNQCLSA-N -1 3 370.927 3.202 20 0 FGADHM O=S(=O)(C[C@H]1CCCC1(F)F)[N-][C@@H]1COc2cccc(Cl)c21 ZINC000451560571 501324776 /nfs/dbraw/zinc/32/47/76/501324776.db2.gz WLNFIWSFADYDNP-MWLCHTKSSA-N -1 3 351.802 3.128 20 0 FGADHM CC(F)(F)CC[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000451610503 501336464 /nfs/dbraw/zinc/33/64/64/501336464.db2.gz GIWSFDZUAJVUEB-UHFFFAOYSA-N -1 3 362.623 3.426 20 0 FGADHM C[C@@H](CCO)CC[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000451623023 501338604 /nfs/dbraw/zinc/33/86/04/501338604.db2.gz IKWXEBBRQYXVDZ-SECBINFHSA-N -1 3 359.797 3.046 20 0 FGADHM C[C@H](CCO)CC[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000451622375 501338730 /nfs/dbraw/zinc/33/87/30/501338730.db2.gz FUCULJNICBNBIQ-NSHDSACASA-N -1 3 374.915 3.150 20 0 FGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]Cc1nnc(C(C)C)[nH]1 ZINC000451680948 501349203 /nfs/dbraw/zinc/34/92/03/501349203.db2.gz VHBLHLZIDLBJIC-UHFFFAOYSA-N -1 3 368.846 3.115 20 0 FGADHM O=c1[n-]c(CN2CC[C@@H]3C[C@H](O)CC[C@@H]3C2)nc2c3ccccc3oc21 ZINC000451695970 501352775 /nfs/dbraw/zinc/35/27/75/501352775.db2.gz OKFQGIJWDWFKNF-MGPQQGTHSA-N -1 3 353.422 3.065 20 0 FGADHM CC[C@@H]([N-]S(=O)(=O)c1cc(C(C)C)ccc1Cl)[C@H](O)C(F)F ZINC000451703572 501355780 /nfs/dbraw/zinc/35/57/80/501355780.db2.gz FJPSCKWVCGIMLV-YPMHNXCESA-N -1 3 355.834 3.146 20 0 FGADHM O=S(=O)([N-]C1(CF)CCOCC1)c1c(Cl)ccc2ccccc21 ZINC000451740308 501363622 /nfs/dbraw/zinc/36/36/22/501363622.db2.gz XDHFGKLAORXWCT-UHFFFAOYSA-N -1 3 357.834 3.290 20 0 FGADHM CC(C)[C@H]1C[C@@H](C[N-]S(=O)(=O)c2ccccc2C(F)(F)F)CCO1 ZINC000451820830 501379836 /nfs/dbraw/zinc/37/98/36/501379836.db2.gz FJABWVFRKFZGJA-GXTWGEPZSA-N -1 3 365.417 3.435 20 0 FGADHM CCCc1ncc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C)c2)o1 ZINC000451961779 501409161 /nfs/dbraw/zinc/40/91/61/501409161.db2.gz UBVFOLXRVGCSLA-UHFFFAOYSA-N -1 3 362.373 3.433 20 0 FGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@@H](C)[C@H](OC)C2CC2)cc1Cl ZINC000451996414 501415309 /nfs/dbraw/zinc/41/53/09/501415309.db2.gz SAOFHYCWXFXYSE-RTHLEPHNSA-N -1 3 368.282 3.094 20 0 FGADHM COc1ccc(S(=O)(=O)[N-][C@@H](C)[C@H](OC)C2CC2)c(Cl)c1Cl ZINC000451998926 501415982 /nfs/dbraw/zinc/41/59/82/501415982.db2.gz VGOTXDQNYUVUCL-RTHLEPHNSA-N -1 3 368.282 3.094 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]CCC[C@H]2CCOC2)c(Cl)c1Cl ZINC000452023716 501420434 /nfs/dbraw/zinc/42/04/34/501420434.db2.gz XAXSNLFNSUBQBZ-JTQLQIEISA-N -1 3 368.282 3.097 20 0 FGADHM CCC[C@@H](NC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)C1CCCC1 ZINC000458341627 501423480 /nfs/dbraw/zinc/42/34/80/501423480.db2.gz NXQJEKXPTPKULY-OAHLLOKOSA-N -1 3 356.463 3.286 20 0 FGADHM C[C@H]1C[C@@H](O)CN(Cc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)C1 ZINC000452065876 501427829 /nfs/dbraw/zinc/42/78/29/501427829.db2.gz IVAPEVBFKWVAPH-GXTWGEPZSA-N -1 3 355.463 3.267 20 0 FGADHM O=S(=O)([N-][C@H](c1cccs1)C1(CO)CCC1)c1ccccc1F ZINC000452083542 501431334 /nfs/dbraw/zinc/43/13/34/501431334.db2.gz KCFXILPDNLYRNL-OAHLLOKOSA-N -1 3 355.456 3.069 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)c3ccc(C)nc3C3CC3)[n-]c21 ZINC000455993083 501433254 /nfs/dbraw/zinc/43/32/54/501433254.db2.gz KMIUJCAFMOUNCI-UHFFFAOYSA-N -1 3 350.378 3.183 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccc(C)nc3C3CC3)nc21 ZINC000455993083 501433257 /nfs/dbraw/zinc/43/32/57/501433257.db2.gz KMIUJCAFMOUNCI-UHFFFAOYSA-N -1 3 350.378 3.183 20 0 FGADHM O=S(=O)([N-][C@@H](c1cccs1)C1(CO)CCC1)c1ccc(F)cc1F ZINC000452097259 501433969 /nfs/dbraw/zinc/43/39/69/501433969.db2.gz YECKWQLPXUGHAV-HNNXBMFYSA-N -1 3 373.446 3.209 20 0 FGADHM CCOC(=O)c1cc(C(=O)[N-]c2cccc(Cl)c2OCC(F)F)on1 ZINC000452125442 501441312 /nfs/dbraw/zinc/44/13/12/501441312.db2.gz SNMMEMLARYDHJK-UHFFFAOYSA-N -1 3 374.727 3.401 20 0 FGADHM CCC1(NC(=O)Nc2ccc([N-]S(=O)(=O)CC)c(OC)c2)CCCC1 ZINC000454311001 501510190 /nfs/dbraw/zinc/51/01/90/501510190.db2.gz WOKDAQBMXXSBKG-UHFFFAOYSA-N -1 3 369.487 3.301 20 0 FGADHM CC[C@H]1CCC[C@H]1CNC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000452517733 501517042 /nfs/dbraw/zinc/51/70/42/501517042.db2.gz DIWKOTOCXPFPLS-RDJZCZTQSA-N -1 3 368.481 3.015 20 0 FGADHM COc1ccccc1-c1nnc([N-]C(=O)c2cn(CCC(C)C)nn2)s1 ZINC000452524192 501517968 /nfs/dbraw/zinc/51/79/68/501517968.db2.gz GVUIXEMPAGXNLJ-UHFFFAOYSA-N -1 3 372.454 3.104 20 0 FGADHM CS[C@@H]1CCN(C(=O)c2c[n-]c3c(OC(F)(F)F)cccc3c2=O)C1 ZINC000452559653 501523249 /nfs/dbraw/zinc/52/32/49/501523249.db2.gz OATSLTZEZPTKAC-SECBINFHSA-N -1 3 372.368 3.004 20 0 FGADHM CCOc1nc2ccc(C(=O)N3CCOC[C@H]3c3ccc(F)cc3)cc2[n-]1 ZINC000456452087 501528345 /nfs/dbraw/zinc/52/83/45/501528345.db2.gz AXUGMPXNBOFFGF-SFHVURJKSA-N -1 3 369.396 3.314 20 0 FGADHM CCOc1nc2cc(C(=O)N3CCOC[C@H]3c3ccc(F)cc3)ccc2[n-]1 ZINC000456452087 501528346 /nfs/dbraw/zinc/52/83/46/501528346.db2.gz AXUGMPXNBOFFGF-SFHVURJKSA-N -1 3 369.396 3.314 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N2CC3(CCC3)[C@H]2c2ccco2)c([O-])c1 ZINC000456559039 501548028 /nfs/dbraw/zinc/54/80/28/501548028.db2.gz GKWNDQALYHJNOX-LJQANCHMSA-N -1 3 368.433 3.167 20 0 FGADHM COC(=O)c1cc(CN(C)Cc2cc(=O)[n-]c(-c3ccccc3)n2)oc1C ZINC000459276614 501623753 /nfs/dbraw/zinc/62/37/53/501623753.db2.gz GHZRGKXRBLOJNG-UHFFFAOYSA-N -1 3 367.405 3.169 20 0 FGADHM CCOc1cc(CN2CCCC[C@H]2C(=O)OC)cc(Br)c1[O-] ZINC000459305093 501627985 /nfs/dbraw/zinc/62/79/85/501627985.db2.gz MQOFPWZNEDRBOQ-ZDUSSCGKSA-N -1 3 372.259 3.081 20 0 FGADHM O=c1cc(CN2CCO[C@H](c3ccc(F)c(Cl)c3)C2)nc(C2CC2)[n-]1 ZINC000459331536 501632667 /nfs/dbraw/zinc/63/26/67/501632667.db2.gz VOCXQTPHYHUBFR-INIZCTEOSA-N -1 3 363.820 3.426 20 0 FGADHM C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])[C@H]1CCC[C@@H](C)C1 ZINC000457004359 501633792 /nfs/dbraw/zinc/63/37/92/501633792.db2.gz OFDJYPTUQUREIE-CVYDXHPNSA-N -1 3 358.482 3.328 20 0 FGADHM CCOc1cc(CN2CCC[C@H](C(=O)N3CCCC3)C2)cc(Cl)c1[O-] ZINC000459339499 501634366 /nfs/dbraw/zinc/63/43/66/501634366.db2.gz DIEIQWATUFLMSD-HNNXBMFYSA-N -1 3 366.889 3.279 20 0 FGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@@H]2C[C@@]2(C)C(C)C)cc1OC ZINC000459363655 501639662 /nfs/dbraw/zinc/63/96/62/501639662.db2.gz ZIPFIRAZSJXGMS-WBVHZDCISA-N -1 3 369.487 3.013 20 0 FGADHM Cc1nc(C2(NCc3cc(=O)[n-]c(-c4ccccc4)n3)CCCC2)no1 ZINC000459368232 501640815 /nfs/dbraw/zinc/64/08/15/501640815.db2.gz ZKNVJBUSQQEJGQ-UHFFFAOYSA-N -1 3 351.410 3.100 20 0 FGADHM C[C@H](c1cccc(F)c1)N1CCN(Cc2cc(=O)[n-]c(C3CC3)n2)CC1 ZINC000459373261 501641979 /nfs/dbraw/zinc/64/19/79/501641979.db2.gz KGFQOYQQWWTAEY-CQSZACIVSA-N -1 3 356.445 3.078 20 0 FGADHM C[C@H](NCc1cccc([O-])c1Br)C(=O)N1CCCC[C@@H]1C ZINC000459403990 501647291 /nfs/dbraw/zinc/64/72/91/501647291.db2.gz HCSNIHKHCHPJNZ-RYUDHWBXSA-N -1 3 355.276 3.034 20 0 FGADHM O=c1cc(CN[C@H](CO)c2c(Cl)cccc2Cl)nc(C2CC2)[n-]1 ZINC000459449589 501656140 /nfs/dbraw/zinc/65/61/40/501656140.db2.gz STPOVLJAWZQPHT-CYBMUJFWSA-N -1 3 354.237 3.190 20 0 FGADHM COc1ccc(COCCNCc2cccc([O-])c2Br)cc1 ZINC000459473362 501659991 /nfs/dbraw/zinc/65/99/91/501659991.db2.gz WSUVYLUUPNBJOB-UHFFFAOYSA-N -1 3 366.255 3.470 20 0 FGADHM CCOc1cc(CN2CCC[C@@]2(C)C(=O)OC)cc(Br)c1[O-] ZINC000459494438 501663614 /nfs/dbraw/zinc/66/36/14/501663614.db2.gz BBFIBZTZOPTBKQ-INIZCTEOSA-N -1 3 372.259 3.081 20 0 FGADHM [O-]c1cccc(CNCc2ccncc2OCC(F)F)c1Br ZINC000459527705 501669928 /nfs/dbraw/zinc/66/99/28/501669928.db2.gz KGYZCVYGWCXHDY-UHFFFAOYSA-N -1 3 373.197 3.483 20 0 FGADHM C[C@@](CO)(NCc1cc(=O)[n-]c(C2CC2)n1)c1cc(Cl)cc(Cl)c1 ZINC000459527437 501669989 /nfs/dbraw/zinc/66/99/89/501669989.db2.gz YTVHHGMATOFDCM-KRWDZBQOSA-N -1 3 368.264 3.364 20 0 FGADHM CCOc1cc(CN2CCC([C@H](C)NC(C)=O)CC2)cc(Cl)c1[O-] ZINC000459539351 501672462 /nfs/dbraw/zinc/67/24/62/501672462.db2.gz TUWYVTLCGPPCIV-LBPRGKRZSA-N -1 3 354.878 3.181 20 0 FGADHM [O-]c1cccc(CN2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c1Br ZINC000459552000 501675213 /nfs/dbraw/zinc/67/52/13/501675213.db2.gz YCTVONPMIVEBFZ-MNOVXSKESA-N -1 3 368.193 3.147 20 0 FGADHM [O-]c1cccc(CNCc2ccnc(N3CCCC3)c2)c1Br ZINC000459566576 501678016 /nfs/dbraw/zinc/67/80/16/501678016.db2.gz SHHKWHXTVYSQSO-UHFFFAOYSA-N -1 3 362.271 3.440 20 0 FGADHM CCOc1cc(CN2CCCNC(=O)[C@@H]2CC(C)C)cc(Cl)c1[O-] ZINC000459584640 501681516 /nfs/dbraw/zinc/68/15/16/501681516.db2.gz HTXBAVAGNOGCBK-HNNXBMFYSA-N -1 3 354.878 3.181 20 0 FGADHM CC1(C)Cc2ccsc2CN1C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000457335014 501683860 /nfs/dbraw/zinc/68/38/60/501683860.db2.gz XUBWYDSKCMLHBG-UHFFFAOYSA-N -1 3 364.492 3.097 20 0 FGADHM C[C@@H](CN(C)Cc1nc2c3ccccc3oc2c(=O)[n-]1)C(=O)OC(C)(C)C ZINC000459818820 501717931 /nfs/dbraw/zinc/71/79/31/501717931.db2.gz YURIVZIPPUQXHF-LBPRGKRZSA-N -1 3 371.437 3.491 20 0 FGADHM O=C(Nc1nnc(-c2cc3ccccc3o2)[n-]1)c1cnn(-c2cccnc2)c1 ZINC000485124289 501728621 /nfs/dbraw/zinc/72/86/21/501728621.db2.gz BCMAZHCBFNBCAJ-UHFFFAOYSA-N -1 3 371.360 3.051 20 0 FGADHM O=C(Nc1nc(-c2cc3ccccc3o2)n[n-]1)c1cnn(-c2cccnc2)c1 ZINC000485124289 501728627 /nfs/dbraw/zinc/72/86/27/501728627.db2.gz BCMAZHCBFNBCAJ-UHFFFAOYSA-N -1 3 371.360 3.051 20 0 FGADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)c1cnn(-c2cccnc2)c1 ZINC000485124289 501728634 /nfs/dbraw/zinc/72/86/34/501728634.db2.gz BCMAZHCBFNBCAJ-UHFFFAOYSA-N -1 3 371.360 3.051 20 0 FGADHM O=C(Nc1nnc(-c2cc3ccccc3o2)[n-]1)[C@@H]1COc2ccccc2C1 ZINC000485127421 501730295 /nfs/dbraw/zinc/73/02/95/501730295.db2.gz AOIFFNVDIZVMCP-AWEZNQCLSA-N -1 3 360.373 3.408 20 0 FGADHM O=C(Nc1nc(-c2cc3ccccc3o2)n[n-]1)[C@@H]1COc2ccccc2C1 ZINC000485127421 501730300 /nfs/dbraw/zinc/73/03/00/501730300.db2.gz AOIFFNVDIZVMCP-AWEZNQCLSA-N -1 3 360.373 3.408 20 0 FGADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)[C@@H]1COc2ccccc2C1 ZINC000485127421 501730302 /nfs/dbraw/zinc/73/03/02/501730302.db2.gz AOIFFNVDIZVMCP-AWEZNQCLSA-N -1 3 360.373 3.408 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CC[C@@H](c3c(F)cccc3F)C2)c1 ZINC000470574026 501731407 /nfs/dbraw/zinc/73/14/07/501731407.db2.gz LNXANZVFRPNQSZ-GFCCVEGCSA-N -1 3 360.360 3.259 20 0 FGADHM COC[C@H]([N-]S(=O)(=O)c1ccc(OCC(C)C)cc1)c1ccc(C)o1 ZINC000474180859 501733214 /nfs/dbraw/zinc/73/32/14/501733214.db2.gz GFPHEILERWQETB-KRWDZBQOSA-N -1 3 367.467 3.289 20 0 FGADHM C[C@@H](CCC1CC1)NC(=O)Cc1csc(NC(=O)c2cccc([O-])c2)n1 ZINC000470585363 501735956 /nfs/dbraw/zinc/73/59/56/501735956.db2.gz XTPHZDQZQIYDQA-LBPRGKRZSA-N -1 3 373.478 3.338 20 0 FGADHM O=C(NCCOc1ncccc1C(F)(F)F)c1cc([O-])ccc1Cl ZINC000485144553 501737885 /nfs/dbraw/zinc/73/78/85/501737885.db2.gz BODBESGDOHZBAK-UHFFFAOYSA-N -1 3 360.719 3.268 20 0 FGADHM O=C(CSCc1cccnc1)Nc1nnc(-c2cc3ccccc3o2)[n-]1 ZINC000485147291 501738917 /nfs/dbraw/zinc/73/89/17/501738917.db2.gz ZJLWNGQONWLXMJ-UHFFFAOYSA-N -1 3 365.418 3.485 20 0 FGADHM O=C(CSCc1cccnc1)Nc1nc(-c2cc3ccccc3o2)n[n-]1 ZINC000485147291 501738922 /nfs/dbraw/zinc/73/89/22/501738922.db2.gz ZJLWNGQONWLXMJ-UHFFFAOYSA-N -1 3 365.418 3.485 20 0 FGADHM O=C(CSCc1cccnc1)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000485147291 501738925 /nfs/dbraw/zinc/73/89/25/501738925.db2.gz ZJLWNGQONWLXMJ-UHFFFAOYSA-N -1 3 365.418 3.485 20 0 FGADHM COc1cccc2c1CC[C@H]2[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000470628434 501748773 /nfs/dbraw/zinc/74/87/73/501748773.db2.gz RZZVHQIHCPBEAV-CYBMUJFWSA-N -1 3 355.818 3.454 20 0 FGADHM O=C(Nc1cc(Br)ccc1[O-])c1ccc(OC(F)F)cn1 ZINC000477702489 501763258 /nfs/dbraw/zinc/76/32/58/501763258.db2.gz LPICBRHYTYMXFU-UHFFFAOYSA-N -1 3 359.126 3.403 20 0 FGADHM Cc1ccncc1CNc1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000485285828 501778179 /nfs/dbraw/zinc/77/81/79/501778179.db2.gz GPFXGTZKZGINRX-UHFFFAOYSA-N -1 3 351.447 3.218 20 0 FGADHM O=C([N-]c1nncs1)c1c(Cl)cccc1I ZINC000463645555 501782476 /nfs/dbraw/zinc/78/24/76/501782476.db2.gz VIHDQECYJOKCJL-UHFFFAOYSA-N -1 3 365.583 3.048 20 0 FGADHM Cc1nc(C)c(CCC(=O)N(Cc2cccs2)CC(F)(F)F)c(=O)[n-]1 ZINC000470785850 501803040 /nfs/dbraw/zinc/80/30/40/501803040.db2.gz WKJMQVIFPHDXRT-UHFFFAOYSA-N -1 3 373.400 3.384 20 0 FGADHM CC[C@@H]1CN(C(=O)CNC(=O)c2cccc([O-])c2)CC[C@H]1c1ccccc1 ZINC000485401032 501810685 /nfs/dbraw/zinc/81/06/85/501810685.db2.gz DGLDCHCQQIFEGR-OXQOHEQNSA-N -1 3 366.461 3.164 20 0 FGADHM Cc1cccc2c1OCC[C@H]2[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000474384112 501815178 /nfs/dbraw/zinc/81/51/78/501815178.db2.gz HWWYKCIAAHYLOS-CQSZACIVSA-N -1 3 357.353 3.214 20 0 FGADHM COCc1nc(S[C@H](C(=O)NCc2ccccc2)c2ccccc2)n[n-]1 ZINC000474395474 501821268 /nfs/dbraw/zinc/82/12/68/501821268.db2.gz KGNJYQQGEJMDEV-KRWDZBQOSA-N -1 3 368.462 3.101 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]c2ccc(Cn3cccn3)cc2)cc(C)c1F ZINC000460439429 501824557 /nfs/dbraw/zinc/82/45/57/501824557.db2.gz UVVUZMYGKHEQRZ-UHFFFAOYSA-N -1 3 359.426 3.488 20 0 FGADHM Cc1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1ccc2n[nH]nc2c1 ZINC000474406690 501825401 /nfs/dbraw/zinc/82/54/01/501825401.db2.gz BQKBVFGRPFAJJQ-UHFFFAOYSA-N -1 3 356.329 3.086 20 0 FGADHM Cc1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1ccc2[nH]nnc2c1 ZINC000474406690 501825402 /nfs/dbraw/zinc/82/54/02/501825402.db2.gz BQKBVFGRPFAJJQ-UHFFFAOYSA-N -1 3 356.329 3.086 20 0 FGADHM Fc1ccccc1-c1nc(Sc2ncncc2Br)n[n-]1 ZINC000481672653 501845365 /nfs/dbraw/zinc/84/53/65/501845365.db2.gz DXIOVQZOMOMPJC-UHFFFAOYSA-N -1 3 352.192 3.315 20 0 FGADHM O=C(CCc1nc2ccccc2[nH]1)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1 ZINC000467708727 501850026 /nfs/dbraw/zinc/85/00/26/501850026.db2.gz KJQGNPMIUPVPEC-UHFFFAOYSA-N -1 3 367.359 3.224 20 0 FGADHM CC(=O)c1ccc(CC(=O)N=c2cc(-c3cc(F)cc(F)c3)[n-][nH]2)cc1 ZINC000467714705 501851458 /nfs/dbraw/zinc/85/14/58/501851458.db2.gz JDMAKAKQTBOFJU-UHFFFAOYSA-N -1 3 355.344 3.161 20 0 FGADHM CCc1n[nH]c([N-]S(=O)(=O)c2ccc3nc(C(C)(C)C)sc3c2)n1 ZINC000460557831 501860626 /nfs/dbraw/zinc/86/06/26/501860626.db2.gz JKIVNHBOXANRAH-UHFFFAOYSA-N -1 3 365.484 3.075 20 0 FGADHM C[C@@H](Sc1ccccn1)C(=O)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1 ZINC000467805601 501879781 /nfs/dbraw/zinc/87/97/81/501879781.db2.gz DTCIEISEBFWYNF-SNVBAGLBSA-N -1 3 360.389 3.291 20 0 FGADHM O=C(CSc1ccc(O)cc1)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1 ZINC000467805328 501879827 /nfs/dbraw/zinc/87/98/27/501879827.db2.gz MAFROEDLUJOAMI-UHFFFAOYSA-N -1 3 361.373 3.213 20 0 FGADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)[C@@H](c2ccccc2)N(C)C)c(F)cc1F ZINC000474575965 501882081 /nfs/dbraw/zinc/88/20/81/501882081.db2.gz GCZVUYHWIFJKKQ-UGSOOPFHSA-N -1 3 368.449 3.243 20 0 FGADHM CCc1cc(=O)[n-]c(CN2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)OC(C)(C)C)n1 ZINC000481838184 501896246 /nfs/dbraw/zinc/89/62/46/501896246.db2.gz JWXMGXPQTACMBC-BMFZPTHFSA-N -1 3 361.486 3.219 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]CCSCc2ccccc2F)c(F)c1 ZINC000478167395 501898663 /nfs/dbraw/zinc/89/86/63/501898663.db2.gz WPUWQVDYHIYSEX-UHFFFAOYSA-N -1 3 373.446 3.185 20 0 FGADHM COCCOc1ccc(Br)cc1NCc1nc(C)ccc1[O-] ZINC000478175330 501901137 /nfs/dbraw/zinc/90/11/37/501901137.db2.gz KKKRTXCPLFCSND-UHFFFAOYSA-N -1 3 367.243 3.495 20 0 FGADHM O=C(N[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1)c1c[n-]c2ccccc2c1=O ZINC000478178874 501902347 /nfs/dbraw/zinc/90/23/47/501902347.db2.gz HOURPWHPHJHOKM-WMLDXEAASA-N -1 3 370.355 3.415 20 0 FGADHM CC(=O)c1cccc(S(=O)(=O)[N-]c2c3c(ccc2Cl)OCC3)c1 ZINC000481883548 501907617 /nfs/dbraw/zinc/90/76/17/501907617.db2.gz QHVBDPSZSCTTQS-UHFFFAOYSA-N -1 3 351.811 3.278 20 0 FGADHM CCCCc1nc(C(=O)OCC)c(NC(=O)C[C@H]2CCO[C@H](CC)C2)[n-]1 ZINC000485709511 501909847 /nfs/dbraw/zinc/90/98/47/501909847.db2.gz KJZBMZXJYFYURV-UONOGXRCSA-N -1 3 365.474 3.463 20 0 FGADHM CCCCc1nc(NC(=O)C[C@H]2CCO[C@H](CC)C2)c(C(=O)OCC)[n-]1 ZINC000485709511 501909852 /nfs/dbraw/zinc/90/98/52/501909852.db2.gz KJZBMZXJYFYURV-UONOGXRCSA-N -1 3 365.474 3.463 20 0 FGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N(C)[C@H]1CCC(C)(C)C1 ZINC000478214520 501911556 /nfs/dbraw/zinc/91/15/56/501911556.db2.gz WEPRIKVWUDZWRD-INIZCTEOSA-N -1 3 368.481 3.110 20 0 FGADHM COc1cc(C)ccc1OCC(=O)Nc1nnc(-c2c(F)cccc2F)[n-]1 ZINC000478309304 501938663 /nfs/dbraw/zinc/93/86/63/501938663.db2.gz DIFOQZUMSSZWIB-UHFFFAOYSA-N -1 3 374.347 3.084 20 0 FGADHM COc1cc(C)ccc1OCC(=O)Nc1nc(-c2c(F)cccc2F)n[n-]1 ZINC000478309304 501938667 /nfs/dbraw/zinc/93/86/67/501938667.db2.gz DIFOQZUMSSZWIB-UHFFFAOYSA-N -1 3 374.347 3.084 20 0 FGADHM COc1cc(C)ccc1OCC(=O)Nc1n[n-]c(-c2c(F)cccc2F)n1 ZINC000478309304 501938669 /nfs/dbraw/zinc/93/86/69/501938669.db2.gz DIFOQZUMSSZWIB-UHFFFAOYSA-N -1 3 374.347 3.084 20 0 FGADHM CCc1ncc(S(=O)(=O)[N-][C@@H](C)[C@H](OC)c2ccccc2Cl)s1 ZINC000460899251 501954209 /nfs/dbraw/zinc/95/42/09/501954209.db2.gz JIKHJEYSOONBMY-BONVTDFDSA-N -1 3 374.915 3.413 20 0 FGADHM CCc1ncc(S(=O)(=O)[N-][C@@H](C)c2cccc(OC(F)F)c2)s1 ZINC000460930975 501961238 /nfs/dbraw/zinc/96/12/38/501961238.db2.gz JODNOHXMAQMYAI-VIFPVBQESA-N -1 3 362.423 3.346 20 0 FGADHM CCc1ncc(S(=O)(=O)[N-][C@H]2CCO[C@H]2c2ccc(Cl)cc2)s1 ZINC000460941087 501964077 /nfs/dbraw/zinc/96/40/77/501964077.db2.gz ZNJVQHOZROQXBM-WFASDCNBSA-N -1 3 372.899 3.167 20 0 FGADHM CCc1ncc(S(=O)(=O)[N-]Cc2ccc(-c3cccnc3)cc2)s1 ZINC000460968449 501973694 /nfs/dbraw/zinc/97/36/94/501973694.db2.gz ONIYRJYKOYJOFR-UHFFFAOYSA-N -1 3 359.476 3.246 20 0 FGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)N[C@H]1CC12CCCCC2 ZINC000482098785 501975415 /nfs/dbraw/zinc/97/54/15/501975415.db2.gz FJMKEBYMVIIKDW-ZDUSSCGKSA-N -1 3 363.259 3.363 20 0 FGADHM CC(=O)Nc1nc(C(=O)[N-]c2cc(F)c(OC(F)F)cc2F)cs1 ZINC000468222727 501995734 /nfs/dbraw/zinc/99/57/34/501995734.db2.gz XSONHKAIVAOMGR-UHFFFAOYSA-N -1 3 363.292 3.233 20 0 FGADHM Cc1c(C(=O)NCc2nnc(C(F)(F)F)[n-]2)sc2cccc(F)c12 ZINC000482203073 502005917 /nfs/dbraw/zinc/00/59/17/502005917.db2.gz BGZWZPQKADHIGB-UHFFFAOYSA-N -1 3 358.320 3.416 20 0 FGADHM Cc1c(C(=O)NCc2n[n-]c(C(F)(F)F)n2)sc2cccc(F)c12 ZINC000482203073 502005920 /nfs/dbraw/zinc/00/59/20/502005920.db2.gz BGZWZPQKADHIGB-UHFFFAOYSA-N -1 3 358.320 3.416 20 0 FGADHM Cc1c(C(=O)NCc2nc(C(F)(F)F)n[n-]2)sc2cccc(F)c12 ZINC000482203073 502005924 /nfs/dbraw/zinc/00/59/24/502005924.db2.gz BGZWZPQKADHIGB-UHFFFAOYSA-N -1 3 358.320 3.416 20 0 FGADHM CN(C)C(=O)Nc1ccc(CNC(=O)CCCc2ccc([O-])c(F)c2)cc1 ZINC000478551543 502015417 /nfs/dbraw/zinc/01/54/17/502015417.db2.gz ZEISFFCASCADRD-UHFFFAOYSA-N -1 3 373.428 3.264 20 0 FGADHM CC(C)Cn1cc(C(=O)NCc2nnc(C(F)(F)F)[n-]2)c2ccccc21 ZINC000482235787 502015856 /nfs/dbraw/zinc/01/58/56/502015856.db2.gz FLXCZRNVUTYHPM-UHFFFAOYSA-N -1 3 365.359 3.364 20 0 FGADHM CC(C)Cn1cc(C(=O)NCc2n[n-]c(C(F)(F)F)n2)c2ccccc21 ZINC000482235787 502015861 /nfs/dbraw/zinc/01/58/61/502015861.db2.gz FLXCZRNVUTYHPM-UHFFFAOYSA-N -1 3 365.359 3.364 20 0 FGADHM CC(C)Cn1cc(C(=O)NCc2nc(C(F)(F)F)n[n-]2)c2ccccc21 ZINC000482235787 502015867 /nfs/dbraw/zinc/01/58/67/502015867.db2.gz FLXCZRNVUTYHPM-UHFFFAOYSA-N -1 3 365.359 3.364 20 0 FGADHM C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000482236993 502015895 /nfs/dbraw/zinc/01/58/95/502015895.db2.gz WDACOWZJAVUYRV-MRVPVSSYSA-N -1 3 374.750 3.002 20 0 FGADHM C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000482236993 502015901 /nfs/dbraw/zinc/01/59/01/502015901.db2.gz WDACOWZJAVUYRV-MRVPVSSYSA-N -1 3 374.750 3.002 20 0 FGADHM C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000482236993 502015906 /nfs/dbraw/zinc/01/59/06/502015906.db2.gz WDACOWZJAVUYRV-MRVPVSSYSA-N -1 3 374.750 3.002 20 0 FGADHM CC[C@H](C)c1ccccc1OCC(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000482245062 502018646 /nfs/dbraw/zinc/01/86/46/502018646.db2.gz YNQLAOWCVMOMCC-JTQLQIEISA-N -1 3 356.348 3.032 20 0 FGADHM CC[C@H](C)c1ccccc1OCC(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000482245062 502018650 /nfs/dbraw/zinc/01/86/50/502018650.db2.gz YNQLAOWCVMOMCC-JTQLQIEISA-N -1 3 356.348 3.032 20 0 FGADHM CC[C@H](C)c1ccccc1OCC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000482245062 502018655 /nfs/dbraw/zinc/01/86/55/502018655.db2.gz YNQLAOWCVMOMCC-JTQLQIEISA-N -1 3 356.348 3.032 20 0 FGADHM CC[C@@H](C)c1ccccc1OCC(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000482245064 502018988 /nfs/dbraw/zinc/01/89/88/502018988.db2.gz YNQLAOWCVMOMCC-SNVBAGLBSA-N -1 3 356.348 3.032 20 0 FGADHM CC[C@@H](C)c1ccccc1OCC(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000482245064 502018992 /nfs/dbraw/zinc/01/89/92/502018992.db2.gz YNQLAOWCVMOMCC-SNVBAGLBSA-N -1 3 356.348 3.032 20 0 FGADHM CC[C@@H](C)c1ccccc1OCC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000482245064 502018997 /nfs/dbraw/zinc/01/89/97/502018997.db2.gz YNQLAOWCVMOMCC-SNVBAGLBSA-N -1 3 356.348 3.032 20 0 FGADHM Cc1nc(-c2ccccn2)sc1C(=O)[N-]c1nc2cc(Cl)ccn2n1 ZINC000464634506 502049068 /nfs/dbraw/zinc/04/90/68/502049068.db2.gz HLBIMBBEXFZFRC-UHFFFAOYSA-N -1 3 370.825 3.462 20 0 FGADHM C[C@H]1CCCC[C@@H]1OCC(=O)N=c1nc(-c2ccccc2Cl)[n-]n1C ZINC000461243819 502050583 /nfs/dbraw/zinc/05/05/83/502050583.db2.gz RWZALSCLJDKXJY-WFASDCNBSA-N -1 3 362.861 3.091 20 0 FGADHM C[C@@H](NC(=O)NCc1ncccc1[O-])c1nc2ccccc2n1C(F)F ZINC000471518136 502052188 /nfs/dbraw/zinc/05/21/88/502052188.db2.gz MPNCIHGAWAGTCF-SNVBAGLBSA-N -1 3 361.352 3.092 20 0 FGADHM CCc1nn(-c2ccccc2)c(CC)c1CNC(=O)c1ccc2n[n-]nc2c1 ZINC000468484483 502075755 /nfs/dbraw/zinc/07/57/55/502075755.db2.gz RLBBGCFTWQJSCE-UHFFFAOYSA-N -1 3 374.448 3.198 20 0 FGADHM CCCS(=O)(=O)[N-]c1cc(NC(=O)C2(CCF)CC2)c(F)cc1F ZINC000486200745 502081233 /nfs/dbraw/zinc/08/12/33/502081233.db2.gz AWWOEQZTIZRRCK-UHFFFAOYSA-N -1 3 364.389 3.195 20 0 FGADHM CCOC(=O)c1nnsc1[N-]C(=O)[C@H](CC)Oc1ccccc1Cl ZINC000482552407 502108733 /nfs/dbraw/zinc/10/87/33/502108733.db2.gz HSIPXNDTEFEJBE-JTQLQIEISA-N -1 3 369.830 3.164 20 0 FGADHM CC(C)(C)OCc1cc(C(=O)[N-]c2cc3c(cc2F)CCC(=O)N3)no1 ZINC000471729484 502121617 /nfs/dbraw/zinc/12/16/17/502121617.db2.gz SNWDPXLQCVPDGW-UHFFFAOYSA-N -1 3 361.373 3.266 20 0 FGADHM O=C(NCc1ncccc1[O-])NCC1(c2c(F)cccc2F)CCCC1 ZINC000471757970 502128943 /nfs/dbraw/zinc/12/89/43/502128943.db2.gz HNUIJPQSYWZKDB-UHFFFAOYSA-N -1 3 361.392 3.377 20 0 FGADHM CCC[C@@H]1C[C@H]1C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000486364226 502133765 /nfs/dbraw/zinc/13/37/65/502133765.db2.gz JAWRPPNOMSCNPG-MWLCHTKSSA-N -1 3 364.389 3.452 20 0 FGADHM CCOc1cc(CNCc2ncccc2[O-])ccc1OCC(F)(F)F ZINC000475333456 502139037 /nfs/dbraw/zinc/13/90/37/502139037.db2.gz IWYREGSVAPJWAB-UHFFFAOYSA-N -1 3 356.344 3.417 20 0 FGADHM Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)NCc2ncccc2[O-])C1 ZINC000471808673 502142380 /nfs/dbraw/zinc/14/23/80/502142380.db2.gz HUKISMNKPMQOQK-CQSZACIVSA-N -1 3 374.872 3.075 20 0 FGADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)N[C@@H](c1ccco1)c1ccccc1 ZINC000482660699 502143549 /nfs/dbraw/zinc/14/35/49/502143549.db2.gz PNIILCZSLJDUCR-CYBMUJFWSA-N -1 3 365.315 3.005 20 0 FGADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)N[C@@H](c1ccco1)c1ccccc1 ZINC000482660699 502143552 /nfs/dbraw/zinc/14/35/52/502143552.db2.gz PNIILCZSLJDUCR-CYBMUJFWSA-N -1 3 365.315 3.005 20 0 FGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N[C@@H](c1ccco1)c1ccccc1 ZINC000482660699 502143559 /nfs/dbraw/zinc/14/35/59/502143559.db2.gz PNIILCZSLJDUCR-CYBMUJFWSA-N -1 3 365.315 3.005 20 0 FGADHM C[N-]S(=O)(=O)c1cc(NC(=O)N2CCC[C@H](C(C)C)CC2)ccc1F ZINC000486400530 502144374 /nfs/dbraw/zinc/14/43/74/502144374.db2.gz FFXGPCHFRIMBFA-ZDUSSCGKSA-N -1 3 371.478 3.024 20 0 FGADHM CC[C@@H](C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C)C1CCC(C)CC1 ZINC000461614467 502153742 /nfs/dbraw/zinc/15/37/42/502153742.db2.gz AEETWQXUPNKSSH-JXQTWKCFSA-N -1 3 359.470 3.374 20 0 FGADHM Cn1c2cc([O-])c(NC(=O)CC/C=C\c3ccccc3)cc2n(C)c1=O ZINC000461614524 502153897 /nfs/dbraw/zinc/15/38/97/502153897.db2.gz PHMLREWDKJAVTL-POHAHGRESA-N -1 3 351.406 3.015 20 0 FGADHM Cn1c2cc([O-])c(NC(=O)c3ccc(F)c4ccccc34)cc2n(C)c1=O ZINC000461621171 502155591 /nfs/dbraw/zinc/15/55/91/502155591.db2.gz ZIZVPQIHFKIMOQ-UHFFFAOYSA-N -1 3 365.364 3.127 20 0 FGADHM O=C(NCc1cc(Oc2ccc(F)cc2)ccn1)NCc1ncccc1[O-] ZINC000471861827 502156814 /nfs/dbraw/zinc/15/68/14/502156814.db2.gz AVCWHEMWIZLVDR-UHFFFAOYSA-N -1 3 368.368 3.113 20 0 FGADHM Cc1ccc([N-]S(=O)(=O)c2c(C)cccc2F)c(OCCN(C)C)c1 ZINC000479080669 502158750 /nfs/dbraw/zinc/15/87/50/502158750.db2.gz WJQSWUQDJVHMML-UHFFFAOYSA-N -1 3 366.458 3.184 20 0 FGADHM Cn1c2cc([O-])c(NC(=O)c3ccc(C(C)(C)C)cc3)cc2n(C)c1=O ZINC000461631287 502158770 /nfs/dbraw/zinc/15/87/70/502158770.db2.gz KUESKGSNYWNHQI-UHFFFAOYSA-N -1 3 353.422 3.132 20 0 FGADHM C[C@H](C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C)c1cc2ccccc2o1 ZINC000461633011 502159017 /nfs/dbraw/zinc/15/90/17/502159017.db2.gz RNOHCAYPXAJSDD-NSHDSACASA-N -1 3 365.389 3.071 20 0 FGADHM Cc1cc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3ccccc3)n2)ccc1F ZINC000471868434 502159625 /nfs/dbraw/zinc/15/96/25/502159625.db2.gz FOLNPILCGDAHMJ-GFCCVEGCSA-N -1 3 361.398 3.224 20 0 FGADHM O=C(NCCCO[C@@H]1CCCc2ccccc21)NCc1ncccc1[O-] ZINC000471897972 502166273 /nfs/dbraw/zinc/16/62/73/502166273.db2.gz UKZGAHMEHNSUHM-LJQANCHMSA-N -1 3 355.438 3.071 20 0 FGADHM COC(=O)c1ccc([C@H](NC(=O)c2cccc([O-])c2)C(F)(F)F)cc1 ZINC000479118624 502168951 /nfs/dbraw/zinc/16/89/51/502168951.db2.gz YSPLAIZNWHXABV-AWEZNQCLSA-N -1 3 353.296 3.212 20 0 FGADHM O=C(Nc1nc2ccccc2n1Cc1ccc(Cl)cc1)c1cnn[n-]1 ZINC000482752097 502170908 /nfs/dbraw/zinc/17/09/08/502170908.db2.gz CGWFAFKVDVSNNE-UHFFFAOYSA-N -1 3 352.785 3.108 20 0 FGADHM O=C(Nc1nc2ccccc2n1Cc1ccc(Cl)cc1)c1c[n-]nn1 ZINC000482752097 502170916 /nfs/dbraw/zinc/17/09/16/502170916.db2.gz CGWFAFKVDVSNNE-UHFFFAOYSA-N -1 3 352.785 3.108 20 0 FGADHM O=C(Nc1nc2ccccc2n1Cc1ccc(Cl)cc1)c1cn[n-]n1 ZINC000482752097 502170919 /nfs/dbraw/zinc/17/09/19/502170919.db2.gz CGWFAFKVDVSNNE-UHFFFAOYSA-N -1 3 352.785 3.108 20 0 FGADHM COc1ccc(S(=O)(=O)[N-][C@](C)(c2ccccc2)C(F)(F)F)cc1 ZINC000479130571 502172238 /nfs/dbraw/zinc/17/22/38/502172238.db2.gz OHRDDLOETQWURB-OAHLLOKOSA-N -1 3 359.369 3.451 20 0 FGADHM CC[C@@H](C)c1ccc(S(=O)(=O)[N-][C@@](C)(COC)C(F)(F)F)cc1 ZINC000479136400 502173044 /nfs/dbraw/zinc/17/30/44/502173044.db2.gz LFMCOYNTHBHJFJ-RISCZKNCSA-N -1 3 353.406 3.446 20 0 FGADHM O=C(NCc1ccc(NC(=O)c2ccc(F)cc2)cc1)c1csc(=O)[n-]1 ZINC000471950292 502181387 /nfs/dbraw/zinc/18/13/87/502181387.db2.gz DFCNRSDIUQHBPY-UHFFFAOYSA-N -1 3 371.393 3.170 20 0 FGADHM C[C@@H]1CCCN1S(=O)(=O)[N-]c1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000471958865 502183927 /nfs/dbraw/zinc/18/39/27/502183927.db2.gz ZTPZTBJHOWMMMX-LLVKDONJSA-N -1 3 374.388 3.032 20 0 FGADHM Cc1ccc(NC(=O)c2c[n-]nc2-c2ccncc2)cc1C(=O)NC(C)C ZINC000471972575 502188264 /nfs/dbraw/zinc/18/82/64/502188264.db2.gz HZIUPYVJQUUDPE-UHFFFAOYSA-N -1 3 363.421 3.171 20 0 FGADHM Cc1ccc(NC(=O)c2cn[n-]c2-c2ccncc2)cc1C(=O)NC(C)C ZINC000471972575 502188270 /nfs/dbraw/zinc/18/82/70/502188270.db2.gz HZIUPYVJQUUDPE-UHFFFAOYSA-N -1 3 363.421 3.171 20 0 FGADHM O=C(N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1)[C@@H]1C[C@]12CCOC2 ZINC000461749942 502190240 /nfs/dbraw/zinc/19/02/40/502190240.db2.gz AYZODDBQLDAPTD-LRDDRELGSA-N -1 3 352.221 3.171 20 0 FGADHM CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2OC)C12CCCC2 ZINC000486581736 502197536 /nfs/dbraw/zinc/19/75/36/502197536.db2.gz BTCMRTUYIXJSHV-CVEARBPZSA-N -1 3 373.902 3.365 20 0 FGADHM Cc1c2cc(F)ccc2oc1CNC(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000482875038 502205361 /nfs/dbraw/zinc/20/53/61/502205361.db2.gz KTLQCCRVUQMTHP-UHFFFAOYSA-N -1 3 371.294 3.017 20 0 FGADHM Cc1c2cc(F)ccc2oc1CNC(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000482875038 502205370 /nfs/dbraw/zinc/20/53/70/502205370.db2.gz KTLQCCRVUQMTHP-UHFFFAOYSA-N -1 3 371.294 3.017 20 0 FGADHM Cc1c2cc(F)ccc2oc1CNC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000482875038 502205374 /nfs/dbraw/zinc/20/53/74/502205374.db2.gz KTLQCCRVUQMTHP-UHFFFAOYSA-N -1 3 371.294 3.017 20 0 FGADHM COc1cc(C(=O)NCCCCc2ccc(F)c(F)c2)cc(OC)c1[O-] ZINC000479264121 502209181 /nfs/dbraw/zinc/20/91/81/502209181.db2.gz BDASWOGLBXGHBF-UHFFFAOYSA-N -1 3 365.376 3.440 20 0 FGADHM CCc1cnccc1C[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000486686021 502230760 /nfs/dbraw/zinc/23/07/60/502230760.db2.gz RNJJUBGAZMIHKW-UHFFFAOYSA-N -1 3 373.247 3.024 20 0 FGADHM 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3.189 20 0 FGADHM CCCCc1n[n-]c(=NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)s1 ZINC000503051158 503335981 /nfs/dbraw/zinc/33/59/81/503335981.db2.gz HHJYSVDRVSVBJI-MRXNPFEDSA-N -1 3 373.526 3.089 20 0 FGADHM O=C(COCCOc1ccccc1)Nc1ccc(Br)cc1[O-] ZINC000515503391 503352874 /nfs/dbraw/zinc/35/28/74/503352874.db2.gz SFYJOYVGDGJTAT-UHFFFAOYSA-N -1 3 366.211 3.189 20 0 FGADHM CC[C@H](NC(=O)c1cc(F)cc2nn[n-]c21)c1nc(-c2ccccc2)c[nH]1 ZINC000503153472 503356276 /nfs/dbraw/zinc/35/62/76/503356276.db2.gz XLZYTVKIJXBFTJ-AWEZNQCLSA-N -1 3 364.384 3.368 20 0 FGADHM CC[C@H](NC(=O)c1cc(F)cc2[n-]nnc21)c1nc(-c2ccccc2)c[nH]1 ZINC000503153472 503356281 /nfs/dbraw/zinc/35/62/81/503356281.db2.gz XLZYTVKIJXBFTJ-AWEZNQCLSA-N -1 3 364.384 3.368 20 0 FGADHM CC[C@H](NC(=O)c1cc(F)cc2n[n-]nc21)c1nc(-c2ccccc2)c[nH]1 ZINC000503153472 503356286 /nfs/dbraw/zinc/35/62/86/503356286.db2.gz XLZYTVKIJXBFTJ-AWEZNQCLSA-N -1 3 364.384 3.368 20 0 FGADHM CCCOc1c(Cl)cc(CNC2(c3nn[n-]n3)CCCC2)cc1OC ZINC000499216420 503356948 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C[C@H](OCC(=O)Nc1cc(Cc2ccccc2)ccc1[O-])c1nccn1C ZINC000500077361 503546753 /nfs/dbraw/zinc/54/67/53/503546753.db2.gz SVFSQUOJAWYGKW-HNNXBMFYSA-N -1 3 365.433 3.433 20 0 FGADHM O=C(N=c1[n-]nc(-c2ccccc2)s1)N1CCCN(C2CCCC2)CC1 ZINC000516603719 503547159 /nfs/dbraw/zinc/54/71/59/503547159.db2.gz HCNSTSCNODKELO-UHFFFAOYSA-N -1 3 371.510 3.109 20 0 FGADHM O=C(c1cc([O-])ccc1Cl)N1CCN(c2ncccc2Cl)CC1 ZINC000516668405 503564878 /nfs/dbraw/zinc/56/48/78/503564878.db2.gz CCLJXLJWJXHSLR-UHFFFAOYSA-N -1 3 352.221 3.056 20 0 FGADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@H]2Cc3ccccc32)s1 ZINC000608021249 506379404 /nfs/dbraw/zinc/37/94/04/506379404.db2.gz ADCYDDUQKSKPIB-LLVKDONJSA-N -1 3 372.309 3.437 20 0 FGADHM COc1ccccc1-c1nc(NC(=O)Cc2cccc(OC(F)F)c2)n[n-]1 ZINC000500173361 503570957 /nfs/dbraw/zinc/57/09/57/503570957.db2.gz RLNMGYVJGBROOW-UHFFFAOYSA-N -1 3 374.347 3.263 20 0 FGADHM Cn1ncc2ccc(-c3nc4cc(Br)c(F)cc4c(=O)[n-]3)cc21 ZINC000504480317 503578722 /nfs/dbraw/zinc/57/87/22/503578722.db2.gz 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CC(C)N1CC[C@H](NC(=O)c2cncc([O-])c2)[C@H]1c1ccc(F)c(F)c1 ZINC000543705908 503860268 /nfs/dbraw/zinc/86/02/68/503860268.db2.gz DRAMYOCWODEFKX-ZWKOTPCHSA-N -1 3 361.392 3.019 20 0 FGADHM C[C@@H]1CN(CC/C=C\c2ccc(Br)cc2)C[C@@H](C(=O)[O-])O1 ZINC000530170883 503862283 /nfs/dbraw/zinc/86/22/83/503862283.db2.gz VYMMLMLQJKQLIA-XCIQGZDESA-N -1 3 354.244 3.026 20 0 FGADHM COC(=O)c1csc(S(=O)(=O)[N-][C@H]2C[C@H](c3ccccc3C)C2)c1 ZINC000546767188 503871334 /nfs/dbraw/zinc/87/13/34/503871334.db2.gz ISXGBAJBIKSFDE-MQMHXKEQSA-N -1 3 365.476 3.068 20 0 FGADHM Cc1cc([N-]C(=O)[C@H](C)S(=O)(=O)c2cc(Cl)ccc2Cl)on1 ZINC000517958788 503875502 /nfs/dbraw/zinc/87/55/02/503875502.db2.gz ZQQGOFWHNWJNCS-QMMMGPOBSA-N -1 3 363.222 3.091 20 0 FGADHM CN(C)[C@H](C(=O)[N-]c1nncn1-c1ccccc1)c1cccc(Cl)c1 ZINC000537311143 503876171 /nfs/dbraw/zinc/87/61/71/503876171.db2.gz JTVZSNKJGWUVDY-INIZCTEOSA-N -1 3 355.829 3.162 20 0 FGADHM CCC(C)(C)c1ccc(CNC(=O)CNC(=O)c2ccc([O-])cc2)cc1 ZINC000533570002 503892858 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[O-]c1cccc(CNC[C@@H](n2cccn2)C(F)(F)F)c1Br ZINC000527738547 503922463 /nfs/dbraw/zinc/92/24/63/503922463.db2.gz QIZNBKOQJSNFPP-LLVKDONJSA-N -1 3 364.165 3.244 20 0 FGADHM [O-]c1ccc(Br)c(CNC[C@@H](n2cccn2)C(F)(F)F)c1 ZINC000527746062 503925965 /nfs/dbraw/zinc/92/59/65/503925965.db2.gz UVKLCTNBRBJQMO-GFCCVEGCSA-N -1 3 364.165 3.244 20 0 FGADHM CC(C)(C)C[C@@H](NC(=O)c1ccc([N-]S(C)(=O)=O)cc1)C(F)(F)F ZINC000540898227 503929082 /nfs/dbraw/zinc/92/90/82/503929082.db2.gz GDHYCIGFHLBXCJ-GFCCVEGCSA-N -1 3 366.405 3.155 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@H]2CCc3[nH]c(C(C)C)nc3C2)c1-c1ccccc1 ZINC000530369058 503939653 /nfs/dbraw/zinc/93/96/53/503939653.db2.gz CDASTBZFLXEJAN-HNNXBMFYSA-N -1 3 363.465 3.397 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@H]2CCc3nc(C(C)C)[nH]c3C2)c1-c1ccccc1 ZINC000530369058 503939659 /nfs/dbraw/zinc/93/96/59/503939659.db2.gz CDASTBZFLXEJAN-HNNXBMFYSA-N -1 3 363.465 3.397 20 0 FGADHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2cccc3ccc(O)cc32)cc1 ZINC000543945522 503946482 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CCOC(=O)c1[n-]cnc1NC(=O)CCCOc1ccc(Cl)c(C)c1 ZINC000538855423 504394976 /nfs/dbraw/zinc/39/49/76/504394976.db2.gz LIRGFWZCTAEWQE-UHFFFAOYSA-N -1 3 365.817 3.346 20 0 FGADHM Cc1cccc([C@H]2CCCCN2C(=O)c2cc(=O)[n-]c(N(C)C)n2)c1C ZINC000545205496 504395349 /nfs/dbraw/zinc/39/53/49/504395349.db2.gz YEYNBSDEKMHPJY-QGZVFWFLSA-N -1 3 354.454 3.232 20 0 FGADHM O=S(=O)([N-]CCc1ccc(F)c(F)c1F)c1ccc(Cl)s1 ZINC000542242396 504418994 /nfs/dbraw/zinc/41/89/94/504418994.db2.gz GHCDWMITRVUALV-UHFFFAOYSA-N -1 3 355.790 3.340 20 0 FGADHM CSc1nc(-c2ccco2)nc(C)c1C(=O)[N-]c1ncn(C(C)(C)C)n1 ZINC000542247840 504421846 /nfs/dbraw/zinc/42/18/46/504421846.db2.gz ISJLRHOFKARBAJ-UHFFFAOYSA-N -1 3 372.454 3.366 20 0 FGADHM Cc1cc(CS(=O)(=O)[N-][C@@H](c2cccc(F)c2)C2CCCC2)on1 ZINC000531803386 504429321 /nfs/dbraw/zinc/42/93/21/504429321.db2.gz ZKNLKYOLQZGOBY-QGZVFWFLSA-N -1 3 352.431 3.473 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(C)(C)c3c[nH]cn3)c2)n1 ZINC000548412037 504435539 /nfs/dbraw/zinc/43/55/39/504435539.db2.gz SMXJHUWTZBFZLD-UHFFFAOYSA-N -1 3 351.410 3.051 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(C)(C)c3cnc[nH]3)c2)n1 ZINC000548412037 504435542 /nfs/dbraw/zinc/43/55/42/504435542.db2.gz SMXJHUWTZBFZLD-UHFFFAOYSA-N -1 3 351.410 3.051 20 0 FGADHM CCC1(C[N-]S(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)CCCC1 ZINC000531865244 504451567 /nfs/dbraw/zinc/45/15/67/504451567.db2.gz CKORMOMLVBYRIE-UHFFFAOYSA-N -1 3 370.902 3.473 20 0 FGADHM COc1cc(=NC(=O)c2sc(C(C)(C)c3ccccc3)nc2C)[n-]n1C ZINC000548470790 504457196 /nfs/dbraw/zinc/45/71/96/504457196.db2.gz VDQOWBDWVKFPTQ-UHFFFAOYSA-N -1 3 370.478 3.194 20 0 FGADHM COc1cc(=NC(=O)c2sc(-c3ccc(Cl)s3)nc2C)[n-]n1C ZINC000548472506 504458347 /nfs/dbraw/zinc/45/83/47/504458347.db2.gz RVIHXRFCCWSOKL-UHFFFAOYSA-N -1 3 368.871 3.250 20 0 FGADHM CSc1ccc(NC(=O)c2c[n-]nc2-c2ccc3c(c2)OCO3)nc1 ZINC000542363984 504462959 /nfs/dbraw/zinc/46/29/59/504462959.db2.gz BBLZFCHRQMQGPE-UHFFFAOYSA-N -1 3 354.391 3.175 20 0 FGADHM Cc1ccc(C)c(Oc2ccc(CNC(=O)c3cc(C)nc(=O)[n-]3)cn2)c1 ZINC000531900853 504464431 /nfs/dbraw/zinc/46/44/31/504464431.db2.gz XDPPDXCYLPOWKN-UHFFFAOYSA-N -1 3 364.405 3.225 20 0 FGADHM Cc1ncc(CNC(=O)c2ccc(OCC3CCCCC3)cc2)c(=O)[n-]1 ZINC000542386552 504470677 /nfs/dbraw/zinc/47/06/77/504470677.db2.gz DCFLLYOSIDXCQX-UHFFFAOYSA-N -1 3 355.438 3.380 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-][C@H]2C[C@H]2c2cccc(Br)c2)o1 ZINC000539107903 504476364 /nfs/dbraw/zinc/47/63/64/504476364.db2.gz WUVUANGFYQVXQJ-STQMWFEESA-N -1 3 356.241 3.185 20 0 FGADHM O=C(c1cc([O-])cc(Br)c1)N1CCC[C@@H]1C1CCOCC1 ZINC000528976077 504478595 /nfs/dbraw/zinc/47/85/95/504478595.db2.gz ULRIDIFBIMURIF-OAHLLOKOSA-N -1 3 354.244 3.186 20 0 FGADHM Cc1nnc(CSc2n[n-]c(COc3ccc(Cl)cc3)n2)s1 ZINC000539117939 504480107 /nfs/dbraw/zinc/48/01/07/504480107.db2.gz POFWSZFULVXRBU-UHFFFAOYSA-N -1 3 353.860 3.489 20 0 FGADHM Cc1ncc(CNC(=O)NCc2cccc(Oc3ccccc3)c2)c(=O)[n-]1 ZINC000542423818 504484649 /nfs/dbraw/zinc/48/46/49/504484649.db2.gz 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CC[C@@H](C)c1nnc([C@H](C)NC(=O)c2cc([O-])cc(Br)c2)[nH]1 ZINC000529159880 504559147 /nfs/dbraw/zinc/55/91/47/504559147.db2.gz JWRIGIHVKJIRHS-BDAKNGLRSA-N -1 3 367.247 3.277 20 0 FGADHM COc1ccc([O-])c(-c2nc(-c3ccc(C)nc3N3CCCC3)no2)c1 ZINC000545666858 504556806 /nfs/dbraw/zinc/55/68/06/504556806.db2.gz DRTIYSGFEXULMF-UHFFFAOYSA-N -1 3 352.394 3.421 20 0 FGADHM CC[C@@H](C)c1nc([C@H](C)NC(=O)c2cc([O-])cc(Br)c2)n[nH]1 ZINC000529159880 504559152 /nfs/dbraw/zinc/55/91/52/504559152.db2.gz JWRIGIHVKJIRHS-BDAKNGLRSA-N -1 3 367.247 3.277 20 0 FGADHM O=C(N=c1cc2ccccn2[n-]1)N[C@H](c1ccc(F)cc1)C(F)(F)F ZINC000548772190 504559873 /nfs/dbraw/zinc/55/98/73/504559873.db2.gz FZNDECJCZNXVEC-CQSZACIVSA-N -1 3 352.291 3.320 20 0 FGADHM Cc1ccc(Oc2ccc(-c3noc([C@@H](C)[N-]S(C)(=O)=O)n3)cc2)cc1 ZINC000545690845 504563643 /nfs/dbraw/zinc/56/36/43/504563643.db2.gz NPJYBVOLJGPSBC-CYBMUJFWSA-N -1 3 373.434 3.448 20 0 FGADHM COc1cc2c(cc1F)[n-]cc(C(=O)NCC(C)(C)c1cccs1)c2=O ZINC000539424537 504566858 /nfs/dbraw/zinc/56/68/58/504566858.db2.gz MNODIFYUWFMFGY-UHFFFAOYSA-N -1 3 374.437 3.445 20 0 FGADHM Cc1ccc(-c2nnc(NC(=O)c3cnn(-c4ccc(C)cc4)c3C)[n-]2)o1 ZINC000532191898 504568597 /nfs/dbraw/zinc/56/85/97/504568597.db2.gz FWGIQNHDECEUPJ-UHFFFAOYSA-N -1 3 362.393 3.428 20 0 FGADHM Cc1ccc(-c2n[n-]c(NC(=O)c3cnn(-c4ccc(C)cc4)c3C)n2)o1 ZINC000532191898 504568602 /nfs/dbraw/zinc/56/86/02/504568602.db2.gz FWGIQNHDECEUPJ-UHFFFAOYSA-N -1 3 362.393 3.428 20 0 FGADHM Cc1ccc(-c2nc(NC(=O)c3cnn(-c4ccc(C)cc4)c3C)n[n-]2)o1 ZINC000532191898 504568606 /nfs/dbraw/zinc/56/86/06/504568606.db2.gz FWGIQNHDECEUPJ-UHFFFAOYSA-N -1 3 362.393 3.428 20 0 FGADHM C[C@H](CSCc1ccccc1)C(=O)N=c1[nH][n-]cc1Br ZINC000520756019 504573466 /nfs/dbraw/zinc/57/34/66/504573466.db2.gz RUPUYYRAUXYDEF-SNVBAGLBSA-N -1 3 354.273 3.102 20 0 FGADHM C[C@H]1CCCc2nc(S(=O)(=O)[N-]Cc3c(F)cccc3Cl)cn21 ZINC000520766546 504577451 /nfs/dbraw/zinc/57/74/51/504577451.db2.gz HDVRLOVITNWELA-JTQLQIEISA-N -1 3 357.838 3.051 20 0 FGADHM C[C@@H]1CCN(C(=O)c2c(F)ccc([O-])c2F)CCN1Cc1ccccc1 ZINC000539489731 504587080 /nfs/dbraw/zinc/58/70/80/504587080.db2.gz YAGUEUDYYPBMFW-CQSZACIVSA-N -1 3 360.404 3.407 20 0 FGADHM CC(C)CC[C@@H](NCC1=Nc2ccccc2S(=O)(=O)[N-]1)C(C)(C)C ZINC000539490440 504587948 /nfs/dbraw/zinc/58/79/48/504587948.db2.gz BIXOEGZIFDQSPL-MRXNPFEDSA-N -1 3 351.516 3.449 20 0 FGADHM Cn1nccc1S(=O)(=O)[N-][C@@H](c1cccc2ccccc21)C(F)(F)F ZINC000542756052 504597530 /nfs/dbraw/zinc/59/75/30/504597530.db2.gz PWHDAPHVDANTBE-HNNXBMFYSA-N -1 3 369.368 3.155 20 0 FGADHM Cc1nc(C)c(Cc2nc(-c3ccc(NC(C)(C)C)cn3)no2)c(=O)[n-]1 ZINC000545825353 504606219 /nfs/dbraw/zinc/60/62/19/504606219.db2.gz IITOYDUQWANVJC-UHFFFAOYSA-N -1 3 354.414 3.045 20 0 FGADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-]CCCC1CC1 ZINC000542798073 504614068 /nfs/dbraw/zinc/61/40/68/504614068.db2.gz OMUCEBMETZQZJE-UHFFFAOYSA-N -1 3 366.252 3.065 20 0 FGADHM CCOC(=O)c1cc(NC(=O)c2ccc(Sc3ccccn3)cc2)n[n-]1 ZINC000542834574 504629279 /nfs/dbraw/zinc/62/92/79/504629279.db2.gz ALLIPBGREZNYQJ-UHFFFAOYSA-N -1 3 368.418 3.385 20 0 FGADHM CCOC(=O)c1cc(NC(=O)c2ccc(Sc3ccccn3)cc2)[n-]n1 ZINC000542834574 504629281 /nfs/dbraw/zinc/62/92/81/504629281.db2.gz ALLIPBGREZNYQJ-UHFFFAOYSA-N -1 3 368.418 3.385 20 0 FGADHM CC(=O)c1cc(F)c([N-]C(=O)c2cccc(OCC(F)F)n2)c(F)c1 ZINC000539653057 504640562 /nfs/dbraw/zinc/64/05/62/504640562.db2.gz YLOBGWWUNOQSEA-UHFFFAOYSA-N -1 3 356.275 3.459 20 0 FGADHM O=C(c1cc([O-])cc(Br)c1)N1CCCC[C@H]1c1cc[nH]n1 ZINC000529358947 504643929 /nfs/dbraw/zinc/64/39/29/504643929.db2.gz OXGRYIJTCFFUCQ-AWEZNQCLSA-N -1 3 350.216 3.245 20 0 FGADHM O=C(Cc1ccc(Br)cc1[O-])N1CCCC2(CCOCC2)C1 ZINC000521078986 504644947 /nfs/dbraw/zinc/64/49/47/504644947.db2.gz IYEGRYZXJPHKOI-UHFFFAOYSA-N -1 3 368.271 3.116 20 0 FGADHM C[C@@]1(Cc2ccccc2)CCCN1CC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000545934754 504645755 /nfs/dbraw/zinc/64/57/55/504645755.db2.gz SNTVCPSFFPNCCU-FQEVSTJZSA-N -1 3 369.490 3.106 20 0 FGADHM Cc1noc([C@@H]2CCCCN2C(=O)c2cc([O-])cc(Br)c2)n1 ZINC000529381408 504649204 /nfs/dbraw/zinc/64/92/04/504649204.db2.gz PQFOOSNTFVUFBQ-ZDUSSCGKSA-N -1 3 366.215 3.214 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N[C@@H]3C[C@H](OC(C)C)C3(C)C)c[n-]c12 ZINC000545962498 504657670 /nfs/dbraw/zinc/65/76/70/504657670.db2.gz CUHMIUAWBRRCMZ-CVEARBPZSA-N -1 3 360.429 3.298 20 0 FGADHM O=C(c1cc([O-])cc(Br)c1)N1CC2(CCOCC2)[C@H]1C1CC1 ZINC000529433364 504672984 /nfs/dbraw/zinc/67/29/84/504672984.db2.gz XQQJULAAMLVDNV-OAHLLOKOSA-N -1 3 366.255 3.186 20 0 FGADHM C[C@]1(CNC(=O)c2cc([O-])cc(Br)c2)CC1(Cl)Cl ZINC000529451790 504681085 /nfs/dbraw/zinc/68/10/85/504681085.db2.gz RLUYZMOMLDYXDV-LLVKDONJSA-N -1 3 353.043 3.468 20 0 FGADHM O=C(NC[C@@H]1CCOC2(CCC2)C1)c1cc([O-])cc(Br)c1 ZINC000529452696 504680495 /nfs/dbraw/zinc/68/04/95/504680495.db2.gz WFDISWUGTZHMDH-LLVKDONJSA-N -1 3 354.244 3.234 20 0 FGADHM CC(C)[C@@H](CO)[C@@H](NC(=O)c1cc([O-])cc(Br)c1)C(C)C ZINC000529456202 504681900 /nfs/dbraw/zinc/68/19/00/504681900.db2.gz XLVIGWBOBIUWHM-CABCVRRESA-N -1 3 358.276 3.174 20 0 FGADHM O=S(=O)([N-][C@@H]1CCO[C@@H]1C1CC1)c1ccc(Cl)cc1C(F)(F)F ZINC000536323309 504697676 /nfs/dbraw/zinc/69/76/76/504697676.db2.gz FZMLLYNPPVEYMN-DGCLKSJQSA-N -1 3 369.792 3.205 20 0 FGADHM Cc1cc(=O)[n-]c([C@H](C)N2CCC(N3CCc4cc(F)ccc43)CC2)n1 ZINC000549151375 504705233 /nfs/dbraw/zinc/70/52/33/504705233.db2.gz LVHLVBJHNVJYRG-AWEZNQCLSA-N -1 3 356.445 3.218 20 0 FGADHM CCc1cccc(C(=O)N(CC(=O)OC)Cc2ccc(Cl)cc2)c1[O-] ZINC000539840725 504713378 /nfs/dbraw/zinc/71/33/78/504713378.db2.gz KWBUZWSYLNXDNP-UHFFFAOYSA-N -1 3 361.825 3.423 20 0 FGADHM CCc1ccc([O-])c(C(=O)N[C@@H](c2nccn2C)c2ccccc2F)c1 ZINC000539845637 504714947 /nfs/dbraw/zinc/71/49/47/504714947.db2.gz DEYCOPGGZPGBCT-GOSISDBHSA-N -1 3 353.397 3.347 20 0 FGADHM COc1ccc(CN(C)Cc2cccc(C)n2)c(Br)c1[O-] ZINC000521418717 504732916 /nfs/dbraw/zinc/73/29/16/504732916.db2.gz IKGOBXYUTWTGPS-UHFFFAOYSA-N -1 3 351.244 3.499 20 0 FGADHM CCOCc1cccc(NC(=O)c2c[n-]c3cc(F)c(OC)cc3c2=O)c1 ZINC000539932954 504741818 /nfs/dbraw/zinc/74/18/18/504741818.db2.gz SORLJITVHUBKRP-UHFFFAOYSA-N -1 3 370.380 3.465 20 0 FGADHM COc1cc([N-]C(=O)c2ncoc2-c2cccc(C(F)(F)F)c2)ncn1 ZINC000543155915 504743800 /nfs/dbraw/zinc/74/38/00/504743800.db2.gz AHHHAYWMLPBTBD-UHFFFAOYSA-N -1 3 364.283 3.411 20 0 FGADHM CC(C)c1csc(C[N-]S(=O)(=O)c2ccc3c(c2)CCCO3)n1 ZINC000540041394 504764319 /nfs/dbraw/zinc/76/43/19/504764319.db2.gz KVOPQLGGBFRXAN-UHFFFAOYSA-N -1 3 352.481 3.070 20 0 FGADHM O=C(C[C@@H]1CCCN(C(=O)c2cccc([O-])c2)C1)NCc1ccc(F)cc1 ZINC000565022454 504773367 /nfs/dbraw/zinc/77/33/67/504773367.db2.gz CMEUABZQZLCLOU-INIZCTEOSA-N -1 3 370.424 3.090 20 0 FGADHM O=C(NCCOCC1CCC1)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000555968656 504774455 /nfs/dbraw/zinc/77/44/55/504774455.db2.gz FOPWFAUAOILETI-UHFFFAOYSA-N -1 3 353.418 3.170 20 0 FGADHM COCCSc1ccc([C@H](C)NC(=O)N=c2cc3ccccn3[n-]2)cc1 ZINC000562295325 504775977 /nfs/dbraw/zinc/77/59/77/504775977.db2.gz BLELDKNAMBRRAM-AWEZNQCLSA-N -1 3 370.478 3.377 20 0 FGADHM CCc1cccc(-c2nc(-c3ccc(S(=O)(=O)CC)cc3)no2)c1[O-] ZINC000556007342 504777864 /nfs/dbraw/zinc/77/78/64/504777864.db2.gz OLDUFGQVKPWVCV-UHFFFAOYSA-N -1 3 358.419 3.465 20 0 FGADHM CC1(C)CCC[C@@]1(O)C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000559127861 504786897 /nfs/dbraw/zinc/78/68/97/504786897.db2.gz LXLDAZHAAUIUCY-CQSZACIVSA-N -1 3 369.380 3.064 20 0 FGADHM CC(C)[C@H]([N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F)c1ccccc1 ZINC000549325554 504792175 /nfs/dbraw/zinc/79/21/75/504792175.db2.gz BANAODNJKKSUDG-ZDUSSCGKSA-N -1 3 361.389 3.115 20 0 FGADHM C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CC[C@@](C)(c2ccccc2)C1 ZINC000565108089 504796407 /nfs/dbraw/zinc/79/64/07/504796407.db2.gz ZEENTNDZNBUMSW-OPAMFIHVSA-N -1 3 366.461 3.053 20 0 FGADHM O=C(N=c1cc2ccccn2[n-]1)[C@@H]1C[C@@H]1c1cccc(Br)c1 ZINC000552994463 504800503 /nfs/dbraw/zinc/80/05/03/504800503.db2.gz UJVBVKITMNTKCG-HUUCEWRRSA-N -1 3 356.223 3.261 20 0 FGADHM Cc1nc(NC(=O)Cc2cncc([O-])c2)sc1Cc1ccccc1F ZINC000553021355 504806341 /nfs/dbraw/zinc/80/63/41/504806341.db2.gz KVEYXULMIRTARQ-UHFFFAOYSA-N -1 3 357.410 3.463 20 0 FGADHM O=C([N-]c1nc(-c2ccc(Br)cn2)cs1)c1ccon1 ZINC000559301840 504825136 /nfs/dbraw/zinc/82/51/36/504825136.db2.gz OLEFEFKEXVTNHN-UHFFFAOYSA-N -1 3 351.185 3.208 20 0 FGADHM Cc1nnc(-c2cccc(NC(=O)c3c[n-]c4ccc(C)cc4c3=O)c2)n1C ZINC000553101278 504827740 /nfs/dbraw/zinc/82/77/40/504827740.db2.gz AHBYLXSTOXEFTO-UHFFFAOYSA-N -1 3 373.416 3.193 20 0 FGADHM C[C@@H]1CC[C@H](C(=O)[O-])[C@H](C)N1Cc1nc2ccc(Br)cc2[nH]1 ZINC000565252215 504835249 /nfs/dbraw/zinc/83/52/49/504835249.db2.gz BEXICIVSTYARNA-SCVCMEIPSA-N -1 3 366.259 3.399 20 0 FGADHM O=C([O-])[C@@]1(NCc2cnc(-c3ccccc3)[nH]2)CCc2c1cccc2F ZINC000556323290 504844655 /nfs/dbraw/zinc/84/46/55/504844655.db2.gz AVAXCZIDTNUREO-HXUWFJFHSA-N -1 3 351.381 3.232 20 0 FGADHM C[C@@H]1CCC[C@]1(O)C[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000549557288 504849695 /nfs/dbraw/zinc/84/96/95/504849695.db2.gz WMTDRLCNFZMXEA-PXAZEXFGSA-N -1 3 353.871 3.323 20 0 FGADHM COC[C@@H](c1ccc(Cl)cc1)N(C)C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000553239856 504860076 /nfs/dbraw/zinc/86/00/76/504860076.db2.gz YHYVRYXURIXEHW-HNNXBMFYSA-N -1 3 361.829 3.173 20 0 FGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)[C@@H]1CCC(=O)c2ccccc21 ZINC000556425428 504870523 /nfs/dbraw/zinc/87/05/23/504870523.db2.gz PABOOERWXHTKNO-CYBMUJFWSA-N -1 3 356.378 3.113 20 0 FGADHM O=C(NCc1ccc(-c2ccccc2)cc1F)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000553322244 504883069 /nfs/dbraw/zinc/88/30/69/504883069.db2.gz CLCXJJLPEHUBHV-UHFFFAOYSA-N -1 3 374.371 3.306 20 0 FGADHM Cc1cn([C@H](C)c2ccccc2)[nH]c1=NC(=O)c1nn[n-]c1-c1ccccc1 ZINC000549753982 504889148 /nfs/dbraw/zinc/88/91/48/504889148.db2.gz YAMDCTLOFIDGQZ-OAHLLOKOSA-N -1 3 372.432 3.260 20 0 FGADHM Cc1cn([C@H](C)c2ccccc2)[nH]c1=NC(=O)c1[n-]nnc1-c1ccccc1 ZINC000549753982 504889151 /nfs/dbraw/zinc/88/91/51/504889151.db2.gz YAMDCTLOFIDGQZ-OAHLLOKOSA-N -1 3 372.432 3.260 20 0 FGADHM Cc1cn([C@H](C)c2ccccc2)[nH]c1=NC(=O)c1n[n-]nc1-c1ccccc1 ZINC000549753982 504889154 /nfs/dbraw/zinc/88/91/54/504889154.db2.gz YAMDCTLOFIDGQZ-OAHLLOKOSA-N -1 3 372.432 3.260 20 0 FGADHM CCCCOc1cccc(CNC(=O)c2c[n-]c3ccncc3c2=O)c1 ZINC000553345789 504889552 /nfs/dbraw/zinc/88/95/52/504889552.db2.gz WFAALWRBJWDYHS-UHFFFAOYSA-N -1 3 351.406 3.032 20 0 FGADHM C[C@@H](c1ccc(NC(=O)c2cc(C(F)(F)F)n[n-]2)cc1)N1CCOCC1 ZINC000549772915 504894743 /nfs/dbraw/zinc/89/47/43/504894743.db2.gz NZHLOZVQPHOCMH-NSHDSACASA-N -1 3 368.359 3.074 20 0 FGADHM C[C@@H](c1ccc(NC(=O)c2cc(C(F)(F)F)[n-]n2)cc1)N1CCOCC1 ZINC000549772915 504894747 /nfs/dbraw/zinc/89/47/47/504894747.db2.gz NZHLOZVQPHOCMH-NSHDSACASA-N -1 3 368.359 3.074 20 0 FGADHM CCOC(=O)C(CC)(CC)[N-]S(=O)(=O)Cc1ccc(C(F)F)cc1 ZINC000549849525 504916402 /nfs/dbraw/zinc/91/64/02/504916402.db2.gz XWUDRSUFDROTRT-UHFFFAOYSA-N -1 3 363.426 3.166 20 0 FGADHM COc1cccc([C@@H]2C[C@H](C)CN2C(=O)c2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000565548524 504919634 /nfs/dbraw/zinc/91/96/34/504919634.db2.gz IXSWMETWKLXOFT-SJCJKPOMSA-N -1 3 353.422 3.292 20 0 FGADHM COC(=O)c1cc(C(=O)Nc2nnc(-c3cc(C)cc(C)c3)s2)c[n-]1 ZINC000559853211 504938610 /nfs/dbraw/zinc/93/86/10/504938610.db2.gz WZYQEPQESDTXTN-UHFFFAOYSA-N -1 3 356.407 3.189 20 0 FGADHM CCC[C@@H]1CCCC[C@H]1CNC(=O)c1cccc([C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000556690298 504942158 /nfs/dbraw/zinc/94/21/58/504942158.db2.gz QRFBXKRAKDLCFO-ZJTDPSCFSA-N -1 3 371.481 3.078 20 0 FGADHM Cc1c(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)cnn1-c1cc(C)ccc1C ZINC000553529622 504942332 /nfs/dbraw/zinc/94/23/32/504942332.db2.gz CQRFQEROQLQEQC-UHFFFAOYSA-N -1 3 363.421 3.423 20 0 FGADHM COc1ccc(-c2nsc([N-]C(=O)c3cn(C)nc3C(F)F)n2)cc1 ZINC000549968831 504945181 /nfs/dbraw/zinc/94/51/81/504945181.db2.gz ZERBWKSAEKTMKN-UHFFFAOYSA-N -1 3 365.365 3.137 20 0 FGADHM O=S(=O)([N-][C@@H]1CC[C@H](F)C1)c1cccc(Cl)c1Br ZINC000553547309 504945329 /nfs/dbraw/zinc/94/53/29/504945329.db2.gz NHTYCSZMVFKNIW-JGVFFNPUSA-N -1 3 356.644 3.271 20 0 FGADHM CCn1cc(S(=O)(=O)[N-]C[C@H](C)Oc2ccc(C(C)C)cc2)nc1C ZINC000553560553 504948596 /nfs/dbraw/zinc/94/85/96/504948596.db2.gz QGKUBUXLSFMIRX-AWEZNQCLSA-N -1 3 365.499 3.081 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-][C@H](C)CCOCc1ccccc1 ZINC000553577033 504953729 /nfs/dbraw/zinc/95/37/29/504953729.db2.gz NUGBXEKDYFQZSE-CYBMUJFWSA-N -1 3 355.481 3.030 20 0 FGADHM O=C(Nc1cccc(CN2CCCCC2=O)c1)c1cc(C(F)(F)F)n[n-]1 ZINC000550144083 504977110 /nfs/dbraw/zinc/97/71/10/504977110.db2.gz RDAMQNPLZUGSLY-UHFFFAOYSA-N -1 3 366.343 3.193 20 0 FGADHM O=C(Nc1cccc(CN2CCCCC2=O)c1)c1cc(C(F)(F)F)[n-]n1 ZINC000550144083 504977113 /nfs/dbraw/zinc/97/71/13/504977113.db2.gz RDAMQNPLZUGSLY-UHFFFAOYSA-N -1 3 366.343 3.193 20 0 FGADHM COc1cc(Cl)c(F)c(C(=O)[N-]c2nnc(C3CCOCC3)s2)c1 ZINC000556834017 504989313 /nfs/dbraw/zinc/98/93/13/504989313.db2.gz HMFGCOVIBODXEP-UHFFFAOYSA-N -1 3 371.821 3.486 20 0 FGADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@@H](C)C(=O)OC(C)(C)C ZINC000556853211 504995785 /nfs/dbraw/zinc/99/57/85/504995785.db2.gz FOYGCRCFTZPDRO-SECBINFHSA-N -1 3 358.232 3.379 20 0 FGADHM COc1cccc([C@H]2C[C@H](N(C)C(=O)c3cc(F)cc4[n-]nnc43)C2)c1 ZINC000562952576 504998889 /nfs/dbraw/zinc/99/88/89/504998889.db2.gz HMQLQGOKAPSWRP-MQMHXKEQSA-N -1 3 354.385 3.124 20 0 FGADHM COc1cccc([C@H]2C[C@H](N(C)C(=O)c3cc(F)cc4nn[n-]c43)C2)c1 ZINC000562952576 504998892 /nfs/dbraw/zinc/99/88/92/504998892.db2.gz HMQLQGOKAPSWRP-MQMHXKEQSA-N -1 3 354.385 3.124 20 0 FGADHM COc1cccc([C@H]2C[C@H](N(C)C(=O)c3cc(F)cc4n[n-]nc43)C2)c1 ZINC000562952576 504998895 /nfs/dbraw/zinc/99/88/95/504998895.db2.gz HMQLQGOKAPSWRP-MQMHXKEQSA-N -1 3 354.385 3.124 20 0 FGADHM COc1cccc2c1CC[C@H]2[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000553766397 505003244 /nfs/dbraw/zinc/00/32/44/505003244.db2.gz UGCWFCZJTGRESW-GFCCVEGCSA-N -1 3 372.368 3.075 20 0 FGADHM CC(C)(C)c1ccc(OC[C@@H](O)CN2CCC(CCC(=O)[O-])CC2)cc1 ZINC000565897125 505020330 /nfs/dbraw/zinc/02/03/30/505020330.db2.gz DZEFXHZJLHOQTE-SFHVURJKSA-N -1 3 363.498 3.301 20 0 FGADHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N(Cc1ccco1)Cc1ccc(O)cc1 ZINC000565900567 505021886 /nfs/dbraw/zinc/02/18/86/505021886.db2.gz MTDJKSHZRBWUHS-UHFFFAOYSA-N -1 3 365.389 3.201 20 0 FGADHM C[C@@H](O)CN(Cc1ccccc1)C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000556956816 505029867 /nfs/dbraw/zinc/02/98/67/505029867.db2.gz RGDKQNWCQXRWLU-CQSZACIVSA-N -1 3 355.434 3.129 20 0 FGADHM O=c1cc(CN2CC[C@@H](O)[C@H](C3CCCC3)C2)nc(-c2ccccc2)[n-]1 ZINC000565937461 505031931 /nfs/dbraw/zinc/03/19/31/505031931.db2.gz HCZKSEFOSWYFFX-RBUKOAKNSA-N -1 3 353.466 3.222 20 0 FGADHM O=S(=O)([N-][C@H]1CCO[C@@H](c2ccncc2)C1)c1ccc(Cl)cc1F ZINC000560315712 505044005 /nfs/dbraw/zinc/04/40/05/505044005.db2.gz HEESSGXRFDVYNC-DZGCQCFKSA-N -1 3 370.833 3.073 20 0 FGADHM Cc1ccc2c(ncc(C(=O)[O-])c2N2C[C@@]3(CCOC3)OC(C)(C)C2)c1C ZINC000563204277 505075272 /nfs/dbraw/zinc/07/52/72/505075272.db2.gz AOSAXPVWUCBGBT-OAQYLSRUSA-N -1 3 370.449 3.324 20 0 FGADHM COc1cc(F)c(CN[C@H](Cc2cc(C)cc(C)c2)C(=O)[O-])cc1OC ZINC000563211329 505077026 /nfs/dbraw/zinc/07/70/26/505077026.db2.gz WVVJWZRYJOZLOH-QGZVFWFLSA-N -1 3 361.413 3.245 20 0 FGADHM CC(C)n1cnc(S(=O)(=O)[N-]C23CCC(C(F)(F)F)(CC2)CC3)c1 ZINC000560452496 505089892 /nfs/dbraw/zinc/08/98/92/505089892.db2.gz RRRVTPDHCVJAHT-UHFFFAOYSA-N -1 3 365.421 3.398 20 0 FGADHM COc1ccc([C@H](NC(=O)c2c[n-]c3ccncc3c2=O)C(C)C)cc1 ZINC000563264096 505091147 /nfs/dbraw/zinc/09/11/47/505091147.db2.gz KYOWARPMCZIMOV-GOSISDBHSA-N -1 3 351.406 3.059 20 0 FGADHM Cc1ccc(CN(C[C@H](O)COc2ccc(C(=O)[O-])cc2)C2CC2)cc1C ZINC000563281957 505095140 /nfs/dbraw/zinc/09/51/40/505095140.db2.gz GQLKWIMHZVWEMV-FQEVSTJZSA-N -1 3 369.461 3.406 20 0 FGADHM COC[C@@]1(C(=O)[O-])CCCN(CCOc2cc(Cl)ccc2Cl)C1 ZINC000563290492 505098381 /nfs/dbraw/zinc/09/83/81/505098381.db2.gz VLVNDVBSEYSNKD-MRXNPFEDSA-N -1 3 362.253 3.185 20 0 FGADHM COCC1(CC[N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)CC1 ZINC000566166473 505102819 /nfs/dbraw/zinc/10/28/19/505102819.db2.gz AKZMJVUAOQKDPZ-UHFFFAOYSA-N -1 3 352.283 3.397 20 0 FGADHM O=S(=O)([N-]c1ccccc1OC(F)F)N1CCc2ccccc2C1 ZINC000557297577 505105195 /nfs/dbraw/zinc/10/51/95/505105195.db2.gz GSXJROSUMOBOKR-UHFFFAOYSA-N -1 3 354.378 3.003 20 0 FGADHM COC[C@@H]([N-]S(=O)(=O)c1cc2ccccc2o1)c1ccc(F)c(F)c1 ZINC000557298417 505105264 /nfs/dbraw/zinc/10/52/64/505105264.db2.gz YLSGTJZHVSAKGW-OAHLLOKOSA-N -1 3 367.373 3.377 20 0 FGADHM COC(=O)c1ccc(C(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)[n-]1 ZINC000550858931 505115529 /nfs/dbraw/zinc/11/55/29/505115529.db2.gz FUOZSSSXHFQGQJ-UHFFFAOYSA-N -1 3 369.402 3.112 20 0 FGADHM CC(=O)c1cccc(NC(=O)c2n[nH]c3ccc(Br)cc32)c1[O-] ZINC000560550040 505122415 /nfs/dbraw/zinc/12/24/15/505122415.db2.gz HTMIARUABFABAC-UHFFFAOYSA-N -1 3 374.194 3.486 20 0 FGADHM O=S(=O)(CCCOCc1ccccc1)[N-]c1cc(F)c(F)c(F)c1 ZINC000563410766 505135894 /nfs/dbraw/zinc/13/58/94/505135894.db2.gz LXGLQDQZQRJUQE-UHFFFAOYSA-N -1 3 359.369 3.453 20 0 FGADHM C[C@H](NC(=O)Cc1ccc(Br)cc1[O-])c1ccc2n[nH]cc2c1 ZINC000560607493 505141229 /nfs/dbraw/zinc/14/12/29/505141229.db2.gz YVPRDGWZNLBTES-JTQLQIEISA-N -1 3 374.238 3.451 20 0 FGADHM Cn1cnc(S(=O)(=O)[N-][C@H](CCCc2ccccc2)c2ccccc2)c1 ZINC000551046896 505148180 /nfs/dbraw/zinc/14/81/80/505148180.db2.gz NPHHUFNQOLXYAU-LJQANCHMSA-N -1 3 369.490 3.463 20 0 FGADHM O=C(Cc1ccc([O-])cc1Cl)N[C@@H](CCO)c1ccc(Cl)cc1 ZINC000557490798 505148683 /nfs/dbraw/zinc/14/86/83/505148683.db2.gz SIZZQYRVGYMWKQ-INIZCTEOSA-N -1 3 354.233 3.481 20 0 FGADHM CCOc1cc(CN[C@@]2(C(=O)[O-])CCc3c2cccc3F)ccc1OC ZINC000551054918 505148950 /nfs/dbraw/zinc/14/89/50/505148950.db2.gz DTSVYQWTRWSRTN-FQEVSTJZSA-N -1 3 359.397 3.249 20 0 FGADHM CC[C@@H]([N-]S(=O)(=O)Cc1cc(C(C)(C)C)on1)c1nc(C)cs1 ZINC000551136818 505164127 /nfs/dbraw/zinc/16/41/27/505164127.db2.gz SLTGDELCRIEWLS-GFCCVEGCSA-N -1 3 357.501 3.308 20 0 FGADHM C[C@H](NC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)[C@@H]1CC2CCC1CC2 ZINC000566401675 505164967 /nfs/dbraw/zinc/16/49/67/505164967.db2.gz SVWPDPASHHHGJN-CLTVBZQCSA-N -1 3 368.474 3.142 20 0 FGADHM O=C1N[C@@H](C2CCCCC2)C(=O)N1Cc1ccc([O-])c(Br)c1 ZINC000554405850 505167315 /nfs/dbraw/zinc/16/73/15/505167315.db2.gz IBQCAEOMXIVITQ-AWEZNQCLSA-N -1 3 367.243 3.155 20 0 FGADHM O=S(=O)([N-]CCC1(O)CCC1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000551201259 505176900 /nfs/dbraw/zinc/17/69/00/505176900.db2.gz ITMQOFDWIXYORY-UHFFFAOYSA-N -1 3 372.899 3.047 20 0 FGADHM CC(C)c1ccc(Cl)c(S(=O)(=O)[N-]C[C@](C)(O)C(F)(F)F)c1 ZINC000551208995 505178428 /nfs/dbraw/zinc/17/84/28/505178428.db2.gz BWRFQBGBQPFROJ-LBPRGKRZSA-N -1 3 359.797 3.055 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1F)[C@@H]1CCCN(C2CCC2)C1 ZINC000551212487 505179019 /nfs/dbraw/zinc/17/90/19/505179019.db2.gz GZEJYCJXYDHINN-CHWSQXEVSA-N -1 3 374.909 3.410 20 0 FGADHM O=C(NCC1(c2c(F)cccc2F)CCC1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000566465071 505183696 /nfs/dbraw/zinc/18/36/96/505183696.db2.gz HOXIOCONZVDQKX-UHFFFAOYSA-N -1 3 359.376 3.190 20 0 FGADHM O=C(Cc1cncc([O-])c1)N1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC000566471033 505184701 /nfs/dbraw/zinc/18/47/01/505184701.db2.gz QVHIOTNWPONNOO-UHFFFAOYSA-N -1 3 371.384 3.211 20 0 FGADHM O=C(N=c1cc2ccccn2[n-]1)N[C@@H]1CCCc2cn(C3CCCC3)nc21 ZINC000554525279 505197103 /nfs/dbraw/zinc/19/71/03/505197103.db2.gz VSGGOSIXVZLWAC-QGZVFWFLSA-N -1 3 364.453 3.267 20 0 FGADHM O=C(N=c1cc2ccccn2[n-]1)N[C@H]1CCC[C@H]1Oc1cc(F)cc(F)c1 ZINC000554526632 505197854 /nfs/dbraw/zinc/19/78/54/505197854.db2.gz CYJHMLSAIONFBQ-DLBZAZTESA-N -1 3 372.375 3.156 20 0 FGADHM O=C([N-]c1ccc(-c2cncnc2)cn1)c1scnc1C(F)(F)F ZINC000557680264 505200946 /nfs/dbraw/zinc/20/09/46/505200946.db2.gz YNWUVMZNCOVUBQ-UHFFFAOYSA-N -1 3 351.313 3.266 20 0 FGADHM O=C1CCc2cc([N-]S(=O)(=O)[C@@H]3C[C@H]3c3ccccc3)c(F)cc2N1 ZINC000560888528 505207137 /nfs/dbraw/zinc/20/71/37/505207137.db2.gz BITJVQYBMRNNFC-SUMWQHHRSA-N -1 3 360.410 3.008 20 0 FGADHM CC(C)c1cc(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC2)c([O-])c(C(C)C)c1 ZINC000551358018 505208558 /nfs/dbraw/zinc/20/85/58/505208558.db2.gz QONMQKSZEHPCDQ-MJGOQNOKSA-N -1 3 358.482 3.426 20 0 FGADHM CCC(CC)Nc1ccncc1NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000563722336 505221065 /nfs/dbraw/zinc/22/10/65/505221065.db2.gz FQYITCQUBIWHJL-UHFFFAOYSA-N -1 3 350.422 3.198 20 0 FGADHM C[C@@]1(c2ccccc2)CCCN(C(=O)CNC(=O)c2ccc([O-])cc2)CC1 ZINC000554633225 505228128 /nfs/dbraw/zinc/22/81/28/505228128.db2.gz UEXKKUBFMAGTCP-JOCHJYFZSA-N -1 3 366.461 3.092 20 0 FGADHM COCCC(C)(C)[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000551512776 505240454 /nfs/dbraw/zinc/24/04/54/505240454.db2.gz IWJKXQIZLYLGBP-UHFFFAOYSA-N -1 3 370.696 3.196 20 0 FGADHM Cc1ccc(Nc2ccccc2C(=O)N2CCc3c(nc[n-]c3=O)C2)cc1 ZINC000566702444 505247898 /nfs/dbraw/zinc/24/78/98/505247898.db2.gz DVUXRFCHLKGQOF-UHFFFAOYSA-N -1 3 360.417 3.433 20 0 FGADHM Cc1ccc2[n-]cc(C(=O)N(C)CCCC(=O)OC(C)(C)C)c(=O)c2c1 ZINC000561126572 505257223 /nfs/dbraw/zinc/25/72/23/505257223.db2.gz FSNWXWNETZTFLE-UHFFFAOYSA-N -1 3 358.438 3.030 20 0 FGADHM CC(C)(CNC(=O)CC1CCC(C(=O)[O-])CC1)N1CCc2ccccc2C1 ZINC000566740586 505260352 /nfs/dbraw/zinc/26/03/52/505260352.db2.gz UOOGAZUOEGCDRA-UHFFFAOYSA-N -1 3 372.509 3.221 20 0 FGADHM CCc1cc(C(=O)NC[C@H](c2cccc(C)c2)N2CCOCC2)ccc1[O-] ZINC000561144979 505262386 /nfs/dbraw/zinc/26/23/86/505262386.db2.gz UDFGBGPUYKVLQP-HXUWFJFHSA-N -1 3 368.477 3.066 20 0 FGADHM COc1ccc(CN2CC[C@H](COC(F)F)C2)c(Br)c1[O-] ZINC000554876970 505287395 /nfs/dbraw/zinc/28/73/95/505287395.db2.gz AONMEHCZANZMQV-VIFPVBQESA-N -1 3 366.202 3.224 20 0 FGADHM COC(=O)c1csc(S(=O)(=O)[N-]C(C)(C)c2cccc(C)c2)c1 ZINC000564002391 505299192 /nfs/dbraw/zinc/29/91/92/505299192.db2.gz KJUSAIKVEWDUSA-UHFFFAOYSA-N -1 3 353.465 3.057 20 0 FGADHM CN(CCOC1CCC1)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000558084045 505303588 /nfs/dbraw/zinc/30/35/88/505303588.db2.gz CXTSDGSPYCZZQF-UHFFFAOYSA-N -1 3 374.506 3.488 20 0 FGADHM CCCN(CC)c1ccc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000558163781 505324356 /nfs/dbraw/zinc/32/43/56/505324356.db2.gz JIICHJRZQPOBJG-UHFFFAOYSA-N -1 3 364.453 3.033 20 0 FGADHM CCCN(CC)c1ccc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000558163781 505324359 /nfs/dbraw/zinc/32/43/59/505324359.db2.gz JIICHJRZQPOBJG-UHFFFAOYSA-N -1 3 364.453 3.033 20 0 FGADHM O=C([N-]c1ccnc(-c2cncs2)n1)c1ncsc1Br ZINC000558172381 505326573 /nfs/dbraw/zinc/32/65/73/505326573.db2.gz KABDOOKVODQOTN-UHFFFAOYSA-N -1 3 368.241 3.071 20 0 FGADHM Cc1nc2ccccc2n1CCc1noc(-c2n[n-]nc2-c2ccccc2)n1 ZINC000564125637 505332231 /nfs/dbraw/zinc/33/22/31/505332231.db2.gz HFKSORVICXELQY-UHFFFAOYSA-N -1 3 371.404 3.423 20 0 FGADHM CC(C)c1noc(Cc2ccc(NC(=O)NCc3ncccc3[O-])cc2)n1 ZINC000555044081 505335871 /nfs/dbraw/zinc/33/58/71/505335871.db2.gz DNTSWJNCXOJQEZ-UHFFFAOYSA-N -1 3 367.409 3.206 20 0 FGADHM Cc1ccc(CC[N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)o1 ZINC000561484084 505358183 /nfs/dbraw/zinc/35/81/83/505358183.db2.gz OPDPYVQRDXIGQP-UHFFFAOYSA-N -1 3 367.320 3.147 20 0 FGADHM C[C@@H]1CCN(C(=O)c2c[n-]c3ccncc3c2=O)[C@H]1c1cccc(F)c1 ZINC000567089497 505360114 /nfs/dbraw/zinc/36/01/14/505360114.db2.gz CDGVNXHSQDRAFD-KZULUSFZSA-N -1 3 351.381 3.286 20 0 FGADHM O=C(N[C@H]1CCCc2sc(Cl)cc21)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000561511013 505365096 /nfs/dbraw/zinc/36/50/96/505365096.db2.gz AVXGRCNUYIWQIZ-LBPRGKRZSA-N -1 3 360.822 3.093 20 0 FGADHM COc1cccc(CN(C)C(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)c1 ZINC000558349178 505365715 /nfs/dbraw/zinc/36/57/15/505365715.db2.gz GYIOSTYPSVLVLY-UHFFFAOYSA-N -1 3 358.344 3.087 20 0 FGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(NC(=O)N[C@@H]2CCC2(C)C)ccc1F ZINC000558364362 505368253 /nfs/dbraw/zinc/36/82/53/505368253.db2.gz LQSFTMNWQYTGOZ-CQSZACIVSA-N -1 3 371.478 3.213 20 0 FGADHM O=S(=O)([N-]C1CC(C(F)(F)F)C1)c1ccc(OC(F)F)c(F)c1 ZINC000561563478 505378996 /nfs/dbraw/zinc/37/89/96/505378996.db2.gz LIMLKJYAKWYWMC-UHFFFAOYSA-N -1 3 363.279 3.046 20 0 FGADHM O=C(N=c1cc2ccccn2[n-]1)N[C@@H]1c2ccccc2CC[C@H]1n1ccnc1 ZINC000558463935 505397114 /nfs/dbraw/zinc/39/71/14/505397114.db2.gz MZKIUILHKGZJQB-UYAOXDASSA-N -1 3 372.432 3.003 20 0 FGADHM O=C(N=c1cc2ccccn2[n-]1)NC[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000558464468 505398317 /nfs/dbraw/zinc/39/83/17/505398317.db2.gz ZUKMEPGFPHGXDD-QFBILLFUSA-N -1 3 350.422 3.046 20 0 FGADHM CC[C@H](C[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1)OC ZINC000558480645 505402941 /nfs/dbraw/zinc/40/29/41/505402941.db2.gz MKQNQDVLRPHDOT-GFCCVEGCSA-N -1 3 360.888 3.167 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)c1nc2c(s1)CCC2 ZINC000567245356 505406883 /nfs/dbraw/zinc/40/68/83/505406883.db2.gz COOYNZJHSYLSHQ-QMMMGPOBSA-N -1 3 360.863 3.464 20 0 FGADHM O=S(=O)([N-][C@H](CO)C1CCCC1)c1c(Cl)ccc2ccccc21 ZINC000564405935 505410958 /nfs/dbraw/zinc/41/09/58/505410958.db2.gz KORDIRMKQQPTMQ-MRXNPFEDSA-N -1 3 353.871 3.323 20 0 FGADHM CC(C)(C)OC(=O)Cc1cccc(NC(=O)c2cc(F)cc3[n-]nnc32)c1 ZINC000558626850 505443815 /nfs/dbraw/zinc/44/38/15/505443815.db2.gz COMSGCPAKDUEAT-UHFFFAOYSA-N -1 3 370.384 3.234 20 0 FGADHM CC(C)(C)OC(=O)Cc1cccc(NC(=O)c2cc(F)cc3nn[n-]c32)c1 ZINC000558626850 505443819 /nfs/dbraw/zinc/44/38/19/505443819.db2.gz COMSGCPAKDUEAT-UHFFFAOYSA-N -1 3 370.384 3.234 20 0 FGADHM CC(C)(C)OC(=O)Cc1cccc(NC(=O)c2cc(F)cc3n[n-]nc32)c1 ZINC000558626850 505443823 /nfs/dbraw/zinc/44/38/23/505443823.db2.gz COMSGCPAKDUEAT-UHFFFAOYSA-N -1 3 370.384 3.234 20 0 FGADHM COCC1(CC[N-]S(=O)(=O)c2ccc(OC)c(Cl)c2Cl)CC1 ZINC000567381671 505446951 /nfs/dbraw/zinc/44/69/51/505446951.db2.gz CCIFRKXJSFWDSQ-UHFFFAOYSA-N -1 3 368.282 3.097 20 0 FGADHM Cc1cc(F)cc([C@@]2(F)CCN(C(=O)c3c[n-]c4ccncc4c3=O)C2)c1 ZINC000564543669 505447744 /nfs/dbraw/zinc/44/77/44/505447744.db2.gz IAQLJLFMOJZXGF-HXUWFJFHSA-N -1 3 369.371 3.082 20 0 FGADHM C[C@@H](O)C[C@H]1CCCCCN1C(=O)Cc1ccc(Br)cc1[O-] ZINC000552367319 505474423 /nfs/dbraw/zinc/47/44/23/505474423.db2.gz MJKJWRZHGHSLRD-IUODEOHRSA-N -1 3 370.287 3.239 20 0 FGADHM O=S(=O)([N-]C[C@@H]1CC12CC2)c1cc(Br)cc2cccnc21 ZINC000567475871 505475566 /nfs/dbraw/zinc/47/55/66/505475566.db2.gz CUYGERPJMKXAHQ-NSHDSACASA-N -1 3 367.268 3.076 20 0 FGADHM CC(C)N(CC(=O)N1CCCCCC1)C(=O)c1cc([O-])ccc1Cl ZINC000552380309 505477436 /nfs/dbraw/zinc/47/74/36/505477436.db2.gz OAVBLOJUCNMLHR-UHFFFAOYSA-N -1 3 352.862 3.299 20 0 FGADHM Cc1cnc(COCC(=O)Nc2cc(Cc3ccccc3)ccc2[O-])o1 ZINC000552399120 505482839 /nfs/dbraw/zinc/48/28/39/505482839.db2.gz GKBNWMWYGYKHPO-UHFFFAOYSA-N -1 3 352.390 3.435 20 0 FGADHM Cc1cc(C)c2ncc(C(=O)[O-])c(N(C)CCN(C)CC(F)F)c2c1 ZINC000564732794 505505501 /nfs/dbraw/zinc/50/55/01/505505501.db2.gz PNQLSFPBMFAMHQ-UHFFFAOYSA-N -1 3 351.397 3.183 20 0 FGADHM COCCCOc1cccc(-c2nc(-c3ccc4n[n-]nc4c3)no2)c1 ZINC000558891794 505522317 /nfs/dbraw/zinc/52/23/17/505522317.db2.gz JECUODRJVUYNIZ-UHFFFAOYSA-N -1 3 351.366 3.090 20 0 FGADHM C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C[C@H](O)COc1ccc(C(=O)[O-])cc1 ZINC000564801107 505523303 /nfs/dbraw/zinc/52/33/03/505523303.db2.gz BMBKSENEAUZMND-LJHODMEESA-N -1 3 373.424 3.142 20 0 FGADHM CCCc1ccc(-c2cc(=NC(=O)c3ccoc3CC(=O)OC)[nH][n-]2)cc1 ZINC000567653096 505526089 /nfs/dbraw/zinc/52/60/89/505526089.db2.gz IBFFJGGCQRDYJZ-UHFFFAOYSA-N -1 3 367.405 3.012 20 0 FGADHM O=S(=O)([N-]C[C@H]1CCNCC1(F)F)c1c(Cl)ccc2ccccc21 ZINC000567861708 505569039 /nfs/dbraw/zinc/56/90/39/505569039.db2.gz QHAMPWWFNZMKMY-GFCCVEGCSA-N -1 3 374.840 3.016 20 0 FGADHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-][C@H]2C[C@@H]2C2CCCCC2)s1 ZINC000608032394 506384691 /nfs/dbraw/zinc/38/46/91/506384691.db2.gz QOVOYSRGTOIMJM-DFBGVHRSSA-N -1 3 370.540 3.192 20 0 FGADHM C[C@H](CSCc1ccccc1)C(=O)N=c1[n-]n(C)cc1Br ZINC000582727439 506386449 /nfs/dbraw/zinc/38/64/49/506386449.db2.gz VXIFXCSSMXPDQC-LLVKDONJSA-N -1 3 368.300 3.113 20 0 FGADHM O=C(C[C@@H]1CCCN1C(=O)c1ccc2[nH][n-]c(=O)c2c1)c1cccs1 ZINC000612043355 506406882 /nfs/dbraw/zinc/40/68/82/506406882.db2.gz GIWIEUJDRPXFFB-LBPRGKRZSA-N -1 3 355.419 3.208 20 0 FGADHM COC(=O)c1cc(NC(=O)c2[n-]nc3c2cccc3OC)ccc1Cl ZINC000589049503 506422747 /nfs/dbraw/zinc/42/27/47/506422747.db2.gz DWAMYNXVQCAIRV-UHFFFAOYSA-N -1 3 359.769 3.264 20 0 FGADHM COC(=O)c1cc(NC(=O)c2n[n-]c3c2cccc3OC)ccc1Cl ZINC000589049503 506422754 /nfs/dbraw/zinc/42/27/54/506422754.db2.gz DWAMYNXVQCAIRV-UHFFFAOYSA-N -1 3 359.769 3.264 20 0 FGADHM CS(=O)(=O)[N-]c1ccc(C(=O)N2CCC(C3CCCC3)CC2)cc1 ZINC000608169579 506449880 /nfs/dbraw/zinc/44/98/80/506449880.db2.gz DTKAAWXIOHGZPC-UHFFFAOYSA-N -1 3 350.484 3.101 20 0 FGADHM Cc1nc(S(=O)(=O)[N-][C@@H](CCc2ccccc2)c2ccccc2)cn1C ZINC000589167588 506467608 /nfs/dbraw/zinc/46/76/08/506467608.db2.gz ZKYGRGJVIHSLEN-IBGZPJMESA-N -1 3 369.490 3.381 20 0 FGADHM Cc1nc(S(=O)(=O)[N-]C(C)(C)c2ccc(Cl)c(Cl)c2)cn1C ZINC000589168854 506467622 /nfs/dbraw/zinc/46/76/22/506467622.db2.gz ONUHKRVDSAAFAR-UHFFFAOYSA-N -1 3 362.282 3.249 20 0 FGADHM O=C(CSCCc1nnn[n-]1)Nc1c(Cl)cc(Cl)cc1Cl ZINC000603334343 506487621 /nfs/dbraw/zinc/48/76/21/506487621.db2.gz KTNWZRUDLFSGAL-UHFFFAOYSA-N -1 3 366.661 3.074 20 0 FGADHM O=C(CSCCc1nn[n-]n1)Nc1c(Cl)cc(Cl)cc1Cl ZINC000603334343 506487626 /nfs/dbraw/zinc/48/76/26/506487626.db2.gz KTNWZRUDLFSGAL-UHFFFAOYSA-N -1 3 366.661 3.074 20 0 FGADHM COc1ccccc1-c1cc(=NC(=O)[C@H]2Cc3cc(C)c(C)cc3O2)[nH][n-]1 ZINC000608358061 506523887 /nfs/dbraw/zinc/52/38/87/506523887.db2.gz NUEAACIQBSDLNB-LJQANCHMSA-N -1 3 363.417 3.066 20 0 FGADHM O=S(=O)([N-]C[C@@H]1CCCSC1)c1cccc(OC(F)(F)F)c1F ZINC000583000580 506530758 /nfs/dbraw/zinc/53/07/58/506530758.db2.gz QFPDOVOZOMXGBL-VIFPVBQESA-N -1 3 373.393 3.146 20 0 FGADHM O=S(=O)([N-]C[C@@H]1OCCc2ccccc21)c1ccc(F)cc1Cl ZINC000603506247 506535392 /nfs/dbraw/zinc/53/53/92/506535392.db2.gz RFKXDMKWKFXJKK-HNNXBMFYSA-N -1 3 355.818 3.071 20 0 FGADHM CCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2cccc(OC)c2)c1 ZINC000589432376 506546038 /nfs/dbraw/zinc/54/60/38/506546038.db2.gz QGPCKDHLHMKWMV-UHFFFAOYSA-N -1 3 368.842 3.498 20 0 FGADHM COC(=O)Cc1occc1C(=O)N=c1[nH][n-]c(C)c1-c1cccc(Cl)c1 ZINC000589433000 506546997 /nfs/dbraw/zinc/54/69/97/506546997.db2.gz VJEZSSOVFLJVPV-UHFFFAOYSA-N -1 3 373.796 3.021 20 0 FGADHM O=C(c1ccc([O-])cc1)N1CCN(C(=O)C2CC3(C2)CCCCC3)CC1 ZINC000612378112 506552287 /nfs/dbraw/zinc/55/22/87/506552287.db2.gz SSQRNWYWQXRRRS-UHFFFAOYSA-N -1 3 356.466 3.037 20 0 FGADHM CC[C@H](C)N(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000589479824 506562800 /nfs/dbraw/zinc/56/28/00/506562800.db2.gz DYWCVOKIPLJOFC-ZDUSSCGKSA-N -1 3 364.442 3.497 20 0 FGADHM COC(=O)c1cc(Cl)cc(NC(=O)COc2cc(F)cc(F)c2)c1[O-] ZINC000589528048 506578759 /nfs/dbraw/zinc/57/87/59/506578759.db2.gz GRAYIULPKOXHDJ-UHFFFAOYSA-N -1 3 371.723 3.128 20 0 FGADHM Cc1cc(NC(=O)[C@H]2CC[C@H](C(F)(F)F)[N-]C2=O)ccc1C(F)(F)F ZINC000608476713 506579576 /nfs/dbraw/zinc/57/95/76/506579576.db2.gz IHGSCCJLJYURIV-MWLCHTKSSA-N -1 3 368.277 3.409 20 0 FGADHM O=C(c1ccccc1[O-])N1CCC[C@H]1C(=O)N1CCC(C2CCCC2)CC1 ZINC000608474933 506580032 /nfs/dbraw/zinc/58/00/32/506580032.db2.gz AHYVJDAHTLIMHH-IBGZPJMESA-N -1 3 370.493 3.426 20 0 FGADHM COC(=O)C1(CS(=O)(=O)[N-]c2cccc(CSC)c2)CCCC1 ZINC000589553218 506585741 /nfs/dbraw/zinc/58/57/41/506585741.db2.gz PBGFOBIIZBDTBR-UHFFFAOYSA-N -1 3 357.497 3.025 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)c1c(C(F)(F)F)nc2n1CCCC2 ZINC000612633008 506663059 /nfs/dbraw/zinc/66/30/59/506663059.db2.gz UEOXDYGAJAVZKK-UHFFFAOYSA-N -1 3 357.307 3.013 20 0 FGADHM CCOC(=O)c1sc2[n-]c(-c3cnn(C(C)(C)C)c3)nc(=O)c2c1C ZINC000603940904 506665442 /nfs/dbraw/zinc/66/54/42/506665442.db2.gz UOZMSRFHRNYSST-UHFFFAOYSA-N -1 3 360.439 3.088 20 0 FGADHM COC(=O)c1c(C)c(C)sc1[N-]C(=O)c1csc(-c2ncccn2)n1 ZINC000603945834 506669133 /nfs/dbraw/zinc/66/91/33/506669133.db2.gz RSRQPINKCFJUJX-UHFFFAOYSA-N -1 3 374.447 3.317 20 0 FGADHM CCCc1n[n-]c(=NC(=O)N(CCC)CCN2CCCCCC2)s1 ZINC000583287003 506696678 /nfs/dbraw/zinc/69/66/78/506696678.db2.gz ODHHFKQYOWPNRF-UHFFFAOYSA-N -1 3 353.536 3.032 20 0 FGADHM CCCOc1nc(C(=O)N=c2cc(-c3ccncc3)[n-][nH]2)cc2ccccc21 ZINC000604083036 506709228 /nfs/dbraw/zinc/70/92/28/506709228.db2.gz QDEIQNQGTBVGBC-UHFFFAOYSA-N -1 3 373.416 3.483 20 0 FGADHM COC(=O)C[C@@H]([N-]S(=O)(=O)c1sc(C)cc1C)c1cccs1 ZINC000590062950 506720979 /nfs/dbraw/zinc/72/09/79/506720979.db2.gz FCPVNYQPEBNOLT-LLVKDONJSA-N -1 3 359.494 3.009 20 0 FGADHM CCOC(=O)[C@H]1CCCc2sc(NC(=O)c3c(C)cccc3[O-])nc21 ZINC000599969266 506731476 /nfs/dbraw/zinc/73/14/76/506731476.db2.gz VFWVSECXNMHKHE-NSHDSACASA-N -1 3 360.435 3.392 20 0 FGADHM Cc1ccc2[n-]cc(C(=O)N3CCOC4(C3)CCCCCC4)c(=O)c2c1 ZINC000583372749 506745128 /nfs/dbraw/zinc/74/51/28/506745128.db2.gz HAUSIHJSZANRQV-UHFFFAOYSA-N -1 3 354.450 3.402 20 0 FGADHM O=C([O-])CCN(Cc1coc(-c2ccc(Cl)cc2)n1)C1CCOCC1 ZINC000583380993 506748660 /nfs/dbraw/zinc/74/86/60/506748660.db2.gz QOVALINZUOZUMU-UHFFFAOYSA-N -1 3 364.829 3.451 20 0 FGADHM CCOC(=O)[C@@]1(NC(=O)c2cc([O-])ccc2Cl)CCc2ccccc21 ZINC000590251397 506775067 /nfs/dbraw/zinc/77/50/67/506775067.db2.gz JVSLXUIUTJMHKC-LJQANCHMSA-N -1 3 359.809 3.180 20 0 FGADHM COC(=O)[C@@H]1CCCCCN1Cc1ccc(OC)c([O-])c1Br ZINC000612852011 506781223 /nfs/dbraw/zinc/78/12/23/506781223.db2.gz VFJVEPGJZPSMLC-LBPRGKRZSA-N -1 3 372.259 3.081 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N2CC(C)(C)[C@@H]2c2ccccc2)c([O-])c1 ZINC000590310926 506790518 /nfs/dbraw/zinc/79/05/18/506790518.db2.gz KFHXAWLHPRBRNJ-FQEVSTJZSA-N -1 3 366.461 3.430 20 0 FGADHM COc1cc2c(cc1CN[C@H](Cc1cc(C)cc(C)c1)C(=O)[O-])O[C@@H](C)C2 ZINC000583489423 506807255 /nfs/dbraw/zinc/80/72/55/506807255.db2.gz YVVPCEPFBHCVGG-HNAYVOBHSA-N -1 3 369.461 3.421 20 0 FGADHM COC(=O)c1cc(Cl)cc(NC(=O)c2csc(C(C)=O)c2)c1[O-] ZINC000590378768 506807223 /nfs/dbraw/zinc/80/72/23/506807223.db2.gz LJRCNNVRUAGUQQ-UHFFFAOYSA-N -1 3 353.783 3.349 20 0 FGADHM CC(C)(C)OC(=O)[C@@H]1C[C@H](NC(=O)c2csc(=O)[n-]2)c2ccccc21 ZINC000593858488 506807739 /nfs/dbraw/zinc/80/77/39/506807739.db2.gz AQQUACFMJPFLGR-OLZOCXBDSA-N -1 3 360.435 3.149 20 0 FGADHM CSc1ccc([O-])c(C(=O)N2CCO[C@@]3(CCc4ccccc43)C2)c1 ZINC000612911225 506812331 /nfs/dbraw/zinc/81/23/31/506812331.db2.gz GWBAGQDQTQJGTD-FQEVSTJZSA-N -1 3 355.459 3.428 20 0 FGADHM Cc1ccn2cc(C(=O)Nc3nnc(-c4ccc5ccccc5n4)[n-]3)nc2c1 ZINC000590408006 506813408 /nfs/dbraw/zinc/81/34/08/506813408.db2.gz OMFHFNFPGQXLCG-UHFFFAOYSA-N -1 3 369.388 3.228 20 0 FGADHM Cc1ccn2cc(C(=O)Nc3nc(-c4ccc5ccccc5n4)n[n-]3)nc2c1 ZINC000590408006 506813416 /nfs/dbraw/zinc/81/34/16/506813416.db2.gz OMFHFNFPGQXLCG-UHFFFAOYSA-N -1 3 369.388 3.228 20 0 FGADHM Cc1ccn2cc(C(=O)Nc3n[n-]c(-c4ccc5ccccc5n4)n3)nc2c1 ZINC000590408006 506813423 /nfs/dbraw/zinc/81/34/23/506813423.db2.gz OMFHFNFPGQXLCG-UHFFFAOYSA-N -1 3 369.388 3.228 20 0 FGADHM CC[S@](=O)[C@H]1CCC[C@H](NC(=O)c2cc([O-])cc(C(F)(F)F)c2)C1 ZINC000590441041 506822893 /nfs/dbraw/zinc/82/28/93/506822893.db2.gz IRVQEDRWLBXESL-RLVYNTFLSA-N -1 3 363.401 3.221 20 0 FGADHM Cc1ccc(C[C@@H]([N-]S(=O)(=O)c2cncc(F)c2)c2ccccn2)cc1 ZINC000604410978 506822977 /nfs/dbraw/zinc/82/29/77/506822977.db2.gz SHLMNRRWPHQSES-LJQANCHMSA-N -1 3 371.437 3.186 20 0 FGADHM COC(=O)C1CCC(NC(=O)c2cc(Cc3ccccc3)ccc2[O-])CC1 ZINC000609316105 506847537 /nfs/dbraw/zinc/84/75/37/506847537.db2.gz BHTCDAIVCUADCG-UHFFFAOYSA-N -1 3 367.445 3.445 20 0 FGADHM CCOC(=O)c1cc([N-]C(=O)c2noc(-c3cccc(F)c3)n2)ccc1O ZINC000590533089 506852364 /nfs/dbraw/zinc/85/23/64/506852364.db2.gz OPKWCSQECJUNKX-UHFFFAOYSA-N -1 3 371.324 3.010 20 0 FGADHM COC(=O)c1csc(S(=O)(=O)[N-]CCCc2ccc(C)cc2C)c1 ZINC000604536586 506865619 /nfs/dbraw/zinc/86/56/19/506865619.db2.gz GMDZNJYAGHWHEC-UHFFFAOYSA-N -1 3 367.492 3.063 20 0 FGADHM CCCCN(C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)[C@@H](C)CC ZINC000600255104 506874993 /nfs/dbraw/zinc/87/49/93/506874993.db2.gz KLMVTKYRXLYNHH-NSHDSACASA-N -1 3 366.936 3.107 20 0 FGADHM CCOc1nc2cc(C(=O)N3CCC[C@H](C(C)(C)C(=O)OC)C3)ccc2[n-]1 ZINC000590692877 506911290 /nfs/dbraw/zinc/91/12/90/506911290.db2.gz DMJLNEHMIVBJPA-AWEZNQCLSA-N -1 3 373.453 3.013 20 0 FGADHM CCOc1nc2ccc(C(=O)N3CCC[C@H](C(C)(C)C(=O)OC)C3)cc2[n-]1 ZINC000590692877 506911295 /nfs/dbraw/zinc/91/12/95/506911295.db2.gz DMJLNEHMIVBJPA-AWEZNQCLSA-N -1 3 373.453 3.013 20 0 FGADHM Cc1nc(-c2ccc(NC(=O)N(C)C[C@H]3CCCOC3)cc2)cc(=O)[n-]1 ZINC000594065845 506917461 /nfs/dbraw/zinc/91/74/61/506917461.db2.gz BHHUNDLQMHDBEP-CQSZACIVSA-N -1 3 356.426 3.048 20 0 FGADHM CC(=O)c1ccc(C(=O)N2CC[C@H](C(=O)OC(C)(C)C)[C@@H](C)C2)cc1[O-] ZINC000600359845 506923216 /nfs/dbraw/zinc/92/32/16/506923216.db2.gz SRHWIEQDSGIGFW-WFASDCNBSA-N -1 3 361.438 3.035 20 0 FGADHM COC(=O)c1cc(C(=O)Nc2ccccc2-c2ncc3n2CCCC3)c[n-]1 ZINC000597609872 507029364 /nfs/dbraw/zinc/02/93/64/507029364.db2.gz FJDYPGUBCLKINM-UHFFFAOYSA-N -1 3 364.405 3.253 20 0 FGADHM CCOC(=O)c1cc(COC)cc(NC(=O)c2ccc(C(C)=O)c([O-])c2)c1 ZINC000597687541 507058330 /nfs/dbraw/zinc/05/83/30/507058330.db2.gz DCKFZMNSKAKIKI-UHFFFAOYSA-N -1 3 371.389 3.170 20 0 FGADHM CC(C)(C)OC(=O)[C@@H]1CC[C@H](C(=O)NCc2ccc([O-])c3ncccc23)C1 ZINC000597732358 507079693 /nfs/dbraw/zinc/07/96/93/507079693.db2.gz PDIOZZLJBMKHNU-UONOGXRCSA-N -1 3 370.449 3.315 20 0 FGADHM CCCS(=O)(=O)[N-]c1cc(NC(=O)Cc2cccs2)c(F)cc1F ZINC000591045614 507092258 /nfs/dbraw/zinc/09/22/58/507092258.db2.gz VWODGJRCBPVZJK-UHFFFAOYSA-N -1 3 374.434 3.359 20 0 FGADHM CCOC(=O)c1[n-]c(C)nc1NC(=O)[C@H](C)Sc1ccc(OC)cc1 ZINC000610109286 507102439 /nfs/dbraw/zinc/10/24/39/507102439.db2.gz PZAUFECWDZGROY-JTQLQIEISA-N -1 3 363.439 3.023 20 0 FGADHM CCOC(=O)c1nc(C)[n-]c1NC(=O)[C@H](C)Sc1ccc(OC)cc1 ZINC000610109286 507102448 /nfs/dbraw/zinc/10/24/48/507102448.db2.gz PZAUFECWDZGROY-JTQLQIEISA-N -1 3 363.439 3.023 20 0 FGADHM Cc1nc(C[N-]S(=O)(=O)Cc2c(Cl)cccc2Cl)cs1 ZINC000591086909 507108372 /nfs/dbraw/zinc/10/83/72/507108372.db2.gz GTWZAHYWUFSOCB-UHFFFAOYSA-N -1 3 351.280 3.378 20 0 FGADHM O=S(=O)(C[C@@H]1CCCO1)[N-]c1ccc(Br)cc1Cl ZINC000605291274 507131051 /nfs/dbraw/zinc/13/10/51/507131051.db2.gz QCCBTSUYGBDLEY-VIFPVBQESA-N -1 3 354.653 3.023 20 0 FGADHM Cc1ccc(C(=O)Nc2ccccc2)cc1[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC000605290873 507131900 /nfs/dbraw/zinc/13/19/00/507131900.db2.gz ALOUUVFCRBQBET-KRWDZBQOSA-N -1 3 374.462 3.168 20 0 FGADHM COC(=O)C[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(C)c1)c1cccs1 ZINC000594437012 507133378 /nfs/dbraw/zinc/13/33/78/507133378.db2.gz LEJACZFDERCTJK-ZDUSSCGKSA-N -1 3 373.883 3.293 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1[nH]c2ccc(F)cc2c1Cl ZINC000591177799 507144811 /nfs/dbraw/zinc/14/48/11/507144811.db2.gz RYAYWXKTIXKRPF-UHFFFAOYSA-N -1 3 356.748 3.393 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1[nH]c2ccc(F)cc2c1Cl ZINC000591177799 507144817 /nfs/dbraw/zinc/14/48/17/507144817.db2.gz RYAYWXKTIXKRPF-UHFFFAOYSA-N -1 3 356.748 3.393 20 0 FGADHM C(=Cc1ccc(-n2ccnc2)cc1)c1nc(-c2ccc3n[n-]nc3c2)no1 ZINC000584088827 507145064 /nfs/dbraw/zinc/14/50/64/507145064.db2.gz LLGYHHPERGJQOR-BAQGIRSFSA-N -1 3 355.361 3.364 20 0 FGADHM CCOC(=O)c1[n-]c(C)nc1NC(=O)[C@@H](C)Oc1ccc(F)cc1Cl ZINC000610231003 507149821 /nfs/dbraw/zinc/14/98/21/507149821.db2.gz QTTXBLUOCLSLGK-MRVPVSSYSA-N -1 3 369.780 3.093 20 0 FGADHM CCOC(=O)c1nc(C)[n-]c1NC(=O)[C@@H](C)Oc1ccc(F)cc1Cl ZINC000610231003 507149824 /nfs/dbraw/zinc/14/98/24/507149824.db2.gz QTTXBLUOCLSLGK-MRVPVSSYSA-N -1 3 369.780 3.093 20 0 FGADHM CSCC[C@@H](NCc1cccc(Br)c1Cl)C(=O)[O-] ZINC000600939871 507199095 /nfs/dbraw/zinc/19/90/95/507199095.db2.gz JMXPQOYEEFZMGV-SNVBAGLBSA-N -1 3 352.681 3.398 20 0 FGADHM CCN(C(=O)CCCc1ccc([O-])c(F)c1)c1ncc(C(=O)OC)s1 ZINC000591318373 507199399 /nfs/dbraw/zinc/19/93/99/507199399.db2.gz TYKNQZHJRDEGHK-UHFFFAOYSA-N -1 3 366.414 3.150 20 0 FGADHM COC(=O)C[C@@H]([N-]S(=O)(=O)c1c(C)cccc1Cl)c1cccs1 ZINC000591324206 507202594 /nfs/dbraw/zinc/20/25/94/507202594.db2.gz TXEXQELXJSXTGX-GFCCVEGCSA-N -1 3 373.883 3.293 20 0 FGADHM CC(C)(C)OC(=O)[C@H](Cc1ccncc1)N=c1[n-]c(C(F)(F)F)cs1 ZINC000594599683 507204076 /nfs/dbraw/zinc/20/40/76/507204076.db2.gz NETRIHOCMRXVCE-NSHDSACASA-N -1 3 373.400 3.344 20 0 FGADHM CN(C)C[C@H](CN=c1[n-]nc(-c2ccccn2)s1)c1ccc(Cl)cc1 ZINC000584235651 507228287 /nfs/dbraw/zinc/22/82/87/507228287.db2.gz BEWSAQIXLDCSAX-AWEZNQCLSA-N -1 3 373.913 3.433 20 0 FGADHM Cc1nn(-c2ccccc2)c(C)c1C[N-]S(=O)(=O)c1ccc(C)cc1F ZINC000591386471 507229576 /nfs/dbraw/zinc/22/95/76/507229576.db2.gz KICPAVXSZLZOBG-UHFFFAOYSA-N -1 3 373.453 3.415 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCN(c3ccc(F)cc3)C2)c(F)c1 ZINC000591389246 507230909 /nfs/dbraw/zinc/23/09/09/507230909.db2.gz CHGVWABUBGOOOX-CQSZACIVSA-N -1 3 366.433 3.078 20 0 FGADHM COc1ccccc1OCCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000591391881 507231797 /nfs/dbraw/zinc/23/17/97/507231797.db2.gz ZMSYKSKUJKXCMG-UHFFFAOYSA-N -1 3 361.872 3.158 20 0 FGADHM COC(=O)c1cccc([N-]S(=O)(=O)C[C@@H](OC)C2CCCCC2)c1C ZINC000594695465 507242152 /nfs/dbraw/zinc/24/21/52/507242152.db2.gz HWENACWTUXSOSR-QGZVFWFLSA-N -1 3 369.483 3.119 20 0 FGADHM O=C(N[C@H]1CCSc2ccc(Cl)cc21)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000591422786 507244669 /nfs/dbraw/zinc/24/46/69/507244669.db2.gz OKATVRIJODNERB-AWEZNQCLSA-N -1 3 372.833 3.191 20 0 FGADHM CCOc1ccc(Br)cc1S(=O)(=O)[N-]CCCC1CC1 ZINC000605588196 507252399 /nfs/dbraw/zinc/25/23/99/507252399.db2.gz FAHDLBYYMFPAER-UHFFFAOYSA-N -1 3 362.289 3.316 20 0 FGADHM O=C([N-]c1nnc(C2CC2)s1)c1cn(-c2cccc(Cl)c2F)nn1 ZINC000584283170 507256120 /nfs/dbraw/zinc/25/61/20/507256120.db2.gz KCOQNLBQEPDELA-UHFFFAOYSA-N -1 3 364.793 3.041 20 0 FGADHM CCS[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(NC(C)=O)cc1F ZINC000610550261 507288810 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FGADHM CCOC(=O)C1(CC(=O)Nc2ccc(C(C)(C)C)cc2[O-])CCOCC1 ZINC000601561366 507389185 /nfs/dbraw/zinc/38/91/85/507389185.db2.gz MDCIYHINTPNYRR-UHFFFAOYSA-N -1 3 363.454 3.378 20 0 FGADHM CC(C)(C)OC(=O)C1(CNC(=O)CCCc2ccc([O-])c(F)c2)CCC1 ZINC000598501873 507460407 /nfs/dbraw/zinc/46/04/07/507460407.db2.gz RZFVDKVERKSZAJ-UHFFFAOYSA-N -1 3 365.445 3.482 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1 ZINC000606649209 507467848 /nfs/dbraw/zinc/46/78/48/507467848.db2.gz HPZGMSPPIVIKCF-ZWKOTPCHSA-N -1 3 362.376 3.390 20 0 FGADHM CC[C@@H]([N-]S(=O)(=O)c1cccc(F)c1C(=O)OC)C1CCCCC1 ZINC000611016749 507483745 /nfs/dbraw/zinc/48/37/45/507483745.db2.gz GZFSFVBUTSNBBS-CQSZACIVSA-N -1 3 357.447 3.250 20 0 FGADHM COC(=O)c1cc(S(=O)(=O)[N-][C@@H](CC2CC2)c2ccccc2)c(C)o1 ZINC000611108646 507518099 /nfs/dbraw/zinc/51/80/99/507518099.db2.gz BJGSVNFUMUVLGP-HNNXBMFYSA-N -1 3 363.435 3.194 20 0 FGADHM CC(C)(C)OC(=O)CCCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000611342791 507628776 /nfs/dbraw/zinc/62/87/76/507628776.db2.gz ICTBTZWZQPYWRM-UHFFFAOYSA-N -1 3 365.854 3.269 20 0 FGADHM CC(C)(C)OC(=O)CCCC[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000611343049 507630180 /nfs/dbraw/zinc/63/01/80/507630180.db2.gz OBSADFMPCVMMFB-UHFFFAOYSA-N -1 3 365.854 3.269 20 0 FGADHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)CCSc1ccccc1 ZINC000614825422 507666901 /nfs/dbraw/zinc/66/69/01/507666901.db2.gz YXKZCSBKXNEOEH-KGLIPLIRSA-N -1 3 373.478 3.049 20 0 FGADHM COc1ccccc1-c1cc(=NC(=O)C[C@H](C)C(=O)c2ccccc2)[nH][n-]1 ZINC000602325580 507670725 /nfs/dbraw/zinc/67/07/25/507670725.db2.gz WDSGDOUOAARNSG-AWEZNQCLSA-N -1 3 363.417 3.355 20 0 FGADHM COC(=O)c1cc(C(=O)[N-]c2nc3ccccc3n2-c2ccccc2)on1 ZINC000611486310 507702828 /nfs/dbraw/zinc/70/28/28/507702828.db2.gz WDOCGMSUZWRSTI-UHFFFAOYSA-N -1 3 362.345 3.052 20 0 FGADHM COC(=O)c1cc(C(=O)[N-]c2cc(Cc3ccccc3)ccc2O)on1 ZINC000611488122 507704041 /nfs/dbraw/zinc/70/40/41/507704041.db2.gz XDUHXPNLERZFHM-UHFFFAOYSA-N -1 3 352.346 3.010 20 0 FGADHM COC(=O)c1cc(Cl)cc(NC(=O)[C@@H]2OCCc3ccccc32)c1[O-] ZINC000588095172 507759890 /nfs/dbraw/zinc/75/98/90/507759890.db2.gz HNWSBGCLYLZNLY-MRXNPFEDSA-N -1 3 361.781 3.085 20 0 FGADHM COC(=O)c1cc(Cl)cc(NC(=O)[C@@H](C)Oc2ccccc2F)c1[O-] ZINC000588096757 507760495 /nfs/dbraw/zinc/76/04/95/507760495.db2.gz NQZVXSYCZVWFEN-SECBINFHSA-N -1 3 367.760 3.377 20 0 FGADHM COC(=O)c1cc(Cl)cc(NC(=O)Cc2nc(C)sc2C)c1[O-] ZINC000588097399 507761032 /nfs/dbraw/zinc/76/10/32/507761032.db2.gz LRRYNBYZAWLMQA-UHFFFAOYSA-N -1 3 354.815 3.087 20 0 FGADHM COC(=O)c1cc(Cl)cc(NC(=O)c2cc3ccccc3[nH]c2=O)c1[O-] ZINC000588099524 507762240 /nfs/dbraw/zinc/76/22/40/507762240.db2.gz YUBSOMQEDKDFTD-UHFFFAOYSA-N -1 3 372.764 3.338 20 0 FGADHM COC(=O)c1cc(Cl)cc(NC(=O)CCc2ccccc2OC)c1[O-] ZINC000588099198 507762942 /nfs/dbraw/zinc/76/29/42/507762942.db2.gz KRYWPZRPFWZXEL-UHFFFAOYSA-N -1 3 363.797 3.412 20 0 FGADHM Cc1[n-][nH]c(=O)c1CCNC(=O)C1(Cc2cccc(Cl)c2)CCCC1 ZINC000607649627 507784022 /nfs/dbraw/zinc/78/40/22/507784022.db2.gz TXKCQDNAKGYFCG-INIZCTEOSA-N -1 3 361.873 3.071 20 0 FGADHM O=C(N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1)c1cnn(-c2cccnc2)c1 ZINC000470639133 514560631 /nfs/dbraw/zinc/56/06/31/514560631.db2.gz WKUASWJHWVUKRK-UHFFFAOYSA-N -1 3 366.331 3.188 20 0 FGADHM CCc1[n-][nH]c(=NC(=O)c2c(C)nc3ccc(Br)cn32)c1C ZINC000479999684 514804809 /nfs/dbraw/zinc/80/48/09/514804809.db2.gz ZOCOVRPFOPWWTR-UHFFFAOYSA-N -1 3 362.231 3.251 20 0 FGADHM C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)c1csc(=NC2CC2)[n-]1 ZINC000476512450 515081347 /nfs/dbraw/zinc/08/13/47/515081347.db2.gz NHMIMLKSSPGGTR-RHSMWYFYSA-N -1 3 370.522 3.358 20 0 FGADHM CN(Cc1ccccc1)[C@@H](CNC(=O)N=c1ccc(C2CC2)n[n-]1)C1CC1 ZINC000480985796 515162516 /nfs/dbraw/zinc/16/25/16/515162516.db2.gz FEYNTZNKXJPFBF-IBGZPJMESA-N -1 3 365.481 3.386 20 0 FGADHM O=C(N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1)[C@H]1CCN(CC(F)(F)F)C1 ZINC000472320665 515222895 /nfs/dbraw/zinc/22/28/95/515222895.db2.gz OZIDSGOQFZQPBM-VIFPVBQESA-N -1 3 374.313 3.178 20 0 FGADHM Cn1[n-]c(=NC(=O)CCc2cccc(Br)c2)cc1OC(F)F ZINC000490926853 515333845 /nfs/dbraw/zinc/33/38/45/515333845.db2.gz MOKUJKSACIBLOS-UHFFFAOYSA-N -1 3 374.185 3.355 20 0 FGADHM Cn1[n-]c(=NC(=O)c2ccc(F)c(Br)c2)cc1OC(F)F ZINC000490920847 515334432 /nfs/dbraw/zinc/33/44/32/515334432.db2.gz XTJSMNRPKAKIHQ-UHFFFAOYSA-N -1 3 364.121 3.175 20 0 FGADHM CN(c1ccccc1)c1ccc(C(=O)N=c2cc(OC(F)F)n(C)[n-]2)cn1 ZINC000490957331 515341210 /nfs/dbraw/zinc/34/12/10/515341210.db2.gz VZICRUCPJKPULE-UHFFFAOYSA-N -1 3 373.363 3.437 20 0 FGADHM CCN=c1[n-]c(C(=O)Nc2cc(-c3cccc(OC)c3)nn2C)cs1 ZINC000477354909 515423246 /nfs/dbraw/zinc/42/32/46/515423246.db2.gz OHNOSPMCVFYSIE-UHFFFAOYSA-N -1 3 357.439 3.236 20 0 FGADHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000472980735 515466170 /nfs/dbraw/zinc/46/61/70/515466170.db2.gz UPSZPEZPSMYWGQ-LBPRGKRZSA-N -1 3 369.208 3.145 20 0 FGADHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000472988386 515469310 /nfs/dbraw/zinc/46/93/10/515469310.db2.gz KKPJNRXNTLEPIN-LBPRGKRZSA-N -1 3 369.208 3.145 20 0 FGADHM C[C@H](C1CCN(C)CC1)N(C)C(=O)N=c1[n-]nc(-c2ccccc2)s1 ZINC000481983506 515538003 /nfs/dbraw/zinc/53/80/03/515538003.db2.gz KVSJCYHSWJHNIE-CYBMUJFWSA-N -1 3 359.499 3.399 20 0 FGADHM O=C(Cc1ccc(Br)cc1)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000473848995 515772832 /nfs/dbraw/zinc/77/28/32/515772832.db2.gz UPPSNAYTMRAXDP-CYBMUJFWSA-N -1 3 350.216 3.205 20 0 FGADHM C[C@@H](C(=O)N=c1cc2ccc(Br)cn2[n-]1)N1CCCCCC1 ZINC000511354810 515874598 /nfs/dbraw/zinc/87/45/98/515874598.db2.gz HDOPUYNAGZRVCW-LBPRGKRZSA-N -1 3 365.275 3.300 20 0 FGADHM O=c1[n-]c(-c2cnc(NCC(F)F)cn2)nc2sc3c(c21)CCCC3 ZINC000487478034 515874720 /nfs/dbraw/zinc/87/47/20/515874720.db2.gz VSXHMTQWTHVQKR-UHFFFAOYSA-N -1 3 363.393 3.410 20 0 FGADHM O=C(Cn1ccc(C(F)(F)F)n1)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1 ZINC000500872652 515889751 /nfs/dbraw/zinc/88/97/51/515889751.db2.gz UIHKUZDOUQIHQN-UHFFFAOYSA-N -1 3 371.269 3.209 20 0 FGADHM COc1ccc(CNC(=O)c2c[n-][nH]c2=NC(=O)[C@H](C)CC(C)(C)C)cc1 ZINC000483043981 515899568 /nfs/dbraw/zinc/89/95/68/515899568.db2.gz FEZWZXGVTOCVOG-CYBMUJFWSA-N -1 3 372.469 3.359 20 0 FGADHM CCN=c1[n-]c(C(=O)NCCc2ccc(OCC)c(OCC)c2)cs1 ZINC000478781151 515961651 /nfs/dbraw/zinc/96/16/51/515961651.db2.gz OUYJDXHUQIUOHU-UHFFFAOYSA-N -1 3 363.483 3.345 20 0 FGADHM O=C(N=c1cc(-c2cccnc2)[n-][nH]1)c1csc(-c2ncccc2F)n1 ZINC000507067402 516073844 /nfs/dbraw/zinc/07/38/44/516073844.db2.gz JPLSYHKDEXRDEH-UHFFFAOYSA-N -1 3 366.381 3.382 20 0 FGADHM O=C(N=c1cc(-c2cccnc2)[n-][nH]1)c1ccc2nc(C(F)(F)F)cn2c1 ZINC000474870708 516219736 /nfs/dbraw/zinc/21/97/36/516219736.db2.gz RIDPAMUXZFVFSL-UHFFFAOYSA-N -1 3 372.310 3.391 20 0 FGADHM NC(=O)NCCCCC(=O)N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1 ZINC000524047568 516635893 /nfs/dbraw/zinc/63/58/93/516635893.db2.gz JGYJOJNFZSBQKE-UHFFFAOYSA-N -1 3 370.240 3.161 20 0 FGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)c1ccnc2ccncc21 ZINC000513732721 516733661 /nfs/dbraw/zinc/73/36/61/516733661.db2.gz JVBSMDAALKZMDR-UHFFFAOYSA-N -1 3 368.194 3.292 20 0 FGADHM COc1cc(=NC(=O)C(C)(C)[C@H](O)c2cc(Cl)cc(Cl)c2)[n-]n1C ZINC000529060639 516895413 /nfs/dbraw/zinc/89/54/13/516895413.db2.gz KUZYKGALOXNPFF-CQSZACIVSA-N -1 3 372.252 3.434 20 0 FGADHM C[C@H]1C[C@H](C(=O)N=c2cc(-c3cc(Cl)cc(Cl)c3)[n-][nH]2)CC(=O)N1 ZINC000541725414 517188994 /nfs/dbraw/zinc/18/89/94/517188994.db2.gz BAJMUGZBRPYZTI-WPRPVWTQSA-N -1 3 367.236 3.237 20 0 FGADHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)[C@H]1CCCCN1Cc1ccc(F)cc1 ZINC000525966615 517261158 /nfs/dbraw/zinc/26/11/58/517261158.db2.gz KQWSYHMAONUXSY-MSOLQXFVSA-N -1 3 372.444 3.394 20 0 FGADHM O=C(CCc1cc2ccccc2[nH]c1=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000525967269 517262723 /nfs/dbraw/zinc/26/27/23/517262723.db2.gz ATRLGEUBBRGIGW-INIZCTEOSA-N -1 3 352.394 3.086 20 0 FGADHM CSc1ncc(C(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)n1-c1ccccc1 ZINC000526959367 517411716 /nfs/dbraw/zinc/41/17/16/517411716.db2.gz LIJGCYKEUJWOLD-OAHLLOKOSA-N -1 3 369.450 3.421 20 0 FGADHM Cc1ccccc1-c1cc(=NC(=O)CSc2nncn2C(C)C)[nH][n-]1 ZINC000538219989 517509864 /nfs/dbraw/zinc/50/98/64/517509864.db2.gz RWEXCTQUQWNSOP-UHFFFAOYSA-N -1 3 356.455 3.288 20 0 FGADHM COc1ccc(Br)c(C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)c1 ZINC000527208815 517561938 /nfs/dbraw/zinc/56/19/38/517561938.db2.gz GWDXFYGDGQSGEP-ZDUSSCGKSA-N -1 3 366.215 3.285 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)C2=NN(CC(C)C)C(=O)CC2)c1-c1ccc(F)cc1 ZINC000530276908 517672897 /nfs/dbraw/zinc/67/28/97/517672897.db2.gz NEVJKFZXGIKCFG-UHFFFAOYSA-N -1 3 371.416 3.097 20 0 FGADHM CCCN(C(=O)N=c1[n-]ncs1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000522239779 518044217 /nfs/dbraw/zinc/04/42/17/518044217.db2.gz OEGCNYQHRVGJST-MRXNPFEDSA-N -1 3 359.499 3.447 20 0 FGADHM CCC[C@H](C)c1cc(NC([O-])=C(C[C@H]2COCCO2)C(F)(F)F)n[nH]1 ZINC000616447458 520019067 /nfs/dbraw/zinc/01/90/67/520019067.db2.gz YYIXRUUUNSRQLX-SDDRHHMPSA-N -1 3 363.380 3.236 20 0 FGADHM CCS[C@H]1CC[C@H](N(C)C(=O)N=c2[n-]n(C)cc2Br)C1 ZINC000603042384 520042746 /nfs/dbraw/zinc/04/27/46/520042746.db2.gz GWLZZPFLBRCBQR-UWVGGRQHSA-N -1 3 361.309 3.321 20 0 FGADHM CCCc1n[n-]c(=NC(=O)NC[C@@H]2CCCN2Cc2ccccc2)s1 ZINC000604090489 520447850 /nfs/dbraw/zinc/44/78/50/520447850.db2.gz JDCHNEOUPRUNRX-HNNXBMFYSA-N -1 3 359.499 3.277 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@@H](C)NC(=O)c2cccs2)c1-c1ccccc1 ZINC000623490966 522061688 /nfs/dbraw/zinc/06/16/88/522061688.db2.gz VEASEHKQKKHEAL-GFCCVEGCSA-N -1 3 354.435 3.204 20 0 FGADHM CCc1nnc(C)cc1C(=O)N=c1[nH][n-]c(C)c1-c1cccc(OC)c1 ZINC000629695825 522399592 /nfs/dbraw/zinc/39/95/92/522399592.db2.gz OPKRORKHIKIPRD-UHFFFAOYSA-N -1 3 351.410 3.307 20 0 FGADHM CCN=c1[n-]c(C(=O)N2CCC[C@@H](c3c[nH]c4ncccc34)C2)cs1 ZINC000636299080 522894774 /nfs/dbraw/zinc/89/47/74/522894774.db2.gz KUGABNWHRVIAGK-GFCCVEGCSA-N -1 3 355.467 3.471 20 0 FGADHM CCOC1(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Br)CCC1 ZINC000622887413 523530908 /nfs/dbraw/zinc/53/09/08/523530908.db2.gz VERVDAVMYQFRTE-UHFFFAOYSA-N -1 3 370.169 3.106 20 0 FGADHM CC(C)(C)C[C@@H](CO)NC(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482155619 561249175 /nfs/dbraw/zinc/24/91/75/561249175.db2.gz BLQMQXYJYQWQDB-NSHDSACASA-N -1 3 369.263 3.015 20 0 FGADHM CC[C@@H](C[C@H](C)CO)NC(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482188529 561249878 /nfs/dbraw/zinc/24/98/78/561249878.db2.gz RKFMZOPUONKDGK-JQWIXIFHSA-N -1 3 369.263 3.015 20 0 FGADHM CCCc1ccc(-c2cc(=NC(=O)c3ccc(C(=O)NC)nc3)[nH][n-]2)cc1 ZINC000490095763 561426618 /nfs/dbraw/zinc/42/66/18/561426618.db2.gz QFPAAQDTAIITLB-UHFFFAOYSA-N -1 3 363.421 3.036 20 0 FGADHM Cc1ccc(F)c(S(=O)(=O)[N-]CCNc2ccc3ccccc3n2)c1 ZINC000509451457 561800201 /nfs/dbraw/zinc/80/02/01/561800201.db2.gz UPAWKQZZPGTJHI-UHFFFAOYSA-N -1 3 359.426 3.073 20 0 FGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)[C@@H]1Cc2ccccc2O1 ZINC000511305004 561864693 /nfs/dbraw/zinc/86/46/93/561864693.db2.gz YSRUWDIVQUAJOU-AWEZNQCLSA-N -1 3 358.195 3.039 20 0 FGADHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1cccc(OC[C@@H]2CCCO2)c1 ZINC000525967170 562261529 /nfs/dbraw/zinc/26/15/29/562261529.db2.gz UDGPTGYRNQRVCZ-RDJZCZTQSA-N -1 3 357.410 3.071 20 0 FGADHM O=C(N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1)c1ccc2nnnn2c1 ZINC000532079498 562466442 /nfs/dbraw/zinc/46/64/42/562466442.db2.gz PKLSGAMIZZDVCP-UHFFFAOYSA-N -1 3 374.191 3.074 20 0 FGADHM COc1cccc(S(=O)(=O)[N-]C[C@H](OC)c2ccc(Cl)cc2)c1F ZINC000655525533 568148727 /nfs/dbraw/zinc/14/87/27/568148727.db2.gz JSCIYXYFNZITCG-AWEZNQCLSA-N -1 3 373.833 3.154 20 0 FGADHM O=C(Nc1cccc2[nH]c(=O)[nH]c21)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000647736391 568184850 /nfs/dbraw/zinc/18/48/50/568184850.db2.gz PWGOHKBVPHCDBF-UHFFFAOYSA-N -1 3 373.368 3.457 20 0 FGADHM CC[C@H](CCO)C[N-]S(=O)(=O)c1c(C)c(Cl)cc(C)c1Cl ZINC000094960366 568233032 /nfs/dbraw/zinc/23/30/32/568233032.db2.gz AAAVMZFQSWHVLI-LLVKDONJSA-N -1 3 354.299 3.297 20 0 FGADHM CC[C@H](CS(=O)(=O)[N-]c1cc(Br)c(F)cc1Cl)OC ZINC000643269485 568450258 /nfs/dbraw/zinc/45/02/58/568450258.db2.gz CKOQGDMPHHFWLX-SSDOTTSWSA-N -1 3 374.659 3.408 20 0 FGADHM CN(CCc1ccc(Cl)cc1)C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000736804566 598823222 /nfs/dbraw/zinc/82/32/22/598823222.db2.gz PZYHWFLWMFKOOT-UHFFFAOYSA-N -1 3 369.856 3.154 20 0 FGADHM CN(CCc1ccc(Cl)cc1)C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000736804566 598823223 /nfs/dbraw/zinc/82/32/23/598823223.db2.gz PZYHWFLWMFKOOT-UHFFFAOYSA-N -1 3 369.856 3.154 20 0 FGADHM O=C(Cc1c[nH]c2ccc(Cl)cc12)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000737955358 598828892 /nfs/dbraw/zinc/82/88/92/598828892.db2.gz ZJCSWBKACZLSTR-UHFFFAOYSA-N -1 3 353.769 3.150 20 0 FGADHM O=C(Cc1c[nH]c2ccc(Cl)cc12)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000737955358 598828894 /nfs/dbraw/zinc/82/88/94/598828894.db2.gz ZJCSWBKACZLSTR-UHFFFAOYSA-N -1 3 353.769 3.150 20 0 FGADHM CCCCSCCC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736464202 598830555 /nfs/dbraw/zinc/83/05/55/598830555.db2.gz VXYYYAIPVCSZTI-UHFFFAOYSA-N -1 3 350.492 3.285 20 0 FGADHM CCCCSCCC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736464202 598830557 /nfs/dbraw/zinc/83/05/57/598830557.db2.gz VXYYYAIPVCSZTI-UHFFFAOYSA-N -1 3 350.492 3.285 20 0 FGADHM Fc1ccc(CCNc2nc3c(cc2-c2nnn[n-]2)CCC3)c(Cl)c1 ZINC000737652383 598830655 /nfs/dbraw/zinc/83/06/55/598830655.db2.gz XHDNHSVZLQQSHH-UHFFFAOYSA-N -1 3 358.808 3.198 20 0 FGADHM Fc1ccc(CCNc2nc3c(cc2-c2nn[n-]n2)CCC3)c(Cl)c1 ZINC000737652383 598830657 /nfs/dbraw/zinc/83/06/57/598830657.db2.gz XHDNHSVZLQQSHH-UHFFFAOYSA-N -1 3 358.808 3.198 20 0 FGADHM CS[C@H](C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000737171660 598830942 /nfs/dbraw/zinc/83/09/42/598830942.db2.gz OSRLFMCWYVYHSA-LRDDRELGSA-N -1 3 353.451 3.148 20 0 FGADHM CS[C@H](C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000737171660 598830944 /nfs/dbraw/zinc/83/09/44/598830944.db2.gz OSRLFMCWYVYHSA-LRDDRELGSA-N -1 3 353.451 3.148 20 0 FGADHM CC[C@H](c1ccncc1)N(CC)C(=O)C=Cc1cccc(-c2nnn[n-]2)c1 ZINC000736395965 598838769 /nfs/dbraw/zinc/83/87/69/598838769.db2.gz KTKDKGYUCPLJBF-GFOMBABLSA-N -1 3 362.437 3.275 20 0 FGADHM CC[C@H](c1ccncc1)N(CC)C(=O)C=Cc1cccc(-c2nn[n-]n2)c1 ZINC000736395965 598838771 /nfs/dbraw/zinc/83/87/71/598838771.db2.gz KTKDKGYUCPLJBF-GFOMBABLSA-N -1 3 362.437 3.275 20 0 FGADHM COCCCOC(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000736988486 598842890 /nfs/dbraw/zinc/84/28/90/598842890.db2.gz RMOXSPIYJOSQDW-UHFFFAOYSA-N -1 3 370.434 3.211 20 0 FGADHM COCCCOC(=O)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC000736988486 598842892 /nfs/dbraw/zinc/84/28/92/598842892.db2.gz RMOXSPIYJOSQDW-UHFFFAOYSA-N -1 3 370.434 3.211 20 0 FGADHM Fc1ccc(Cc2noc(CSc3ccc(-c4nnn[n-]4)cc3)n2)cc1 ZINC000737648926 598859893 /nfs/dbraw/zinc/85/98/93/598859893.db2.gz KSJYHPNTEZDSTK-UHFFFAOYSA-N -1 3 368.397 3.272 20 0 FGADHM Fc1ccc(Cc2noc(CSc3ccc(-c4nn[n-]n4)cc3)n2)cc1 ZINC000737648926 598859895 /nfs/dbraw/zinc/85/98/95/598859895.db2.gz KSJYHPNTEZDSTK-UHFFFAOYSA-N -1 3 368.397 3.272 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H](C)C1CCCC1 ZINC000736479473 598878085 /nfs/dbraw/zinc/87/80/85/598878085.db2.gz KTGPUKHVBXGGGU-AWEZNQCLSA-N -1 3 356.474 3.367 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H](C)C1CCCC1 ZINC000736479473 598878086 /nfs/dbraw/zinc/87/80/86/598878086.db2.gz KTGPUKHVBXGGGU-AWEZNQCLSA-N -1 3 356.474 3.367 20 0 FGADHM C[C@@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)C(C)(C)c1ccccc1 ZINC000736038480 598884173 /nfs/dbraw/zinc/88/41/73/598884173.db2.gz VLUORHRQZGDODG-AWEZNQCLSA-N -1 3 366.421 3.155 20 0 FGADHM C[C@@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)C(C)(C)c1ccccc1 ZINC000736038480 598884176 /nfs/dbraw/zinc/88/41/76/598884176.db2.gz VLUORHRQZGDODG-AWEZNQCLSA-N -1 3 366.421 3.155 20 0 FGADHM CC(=CC(=O)O[C@@H](C)COc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000735446874 598888423 /nfs/dbraw/zinc/88/84/23/598888423.db2.gz HEZLWJDKEGLNGY-GOFCXVBSSA-N -1 3 364.405 3.281 20 0 FGADHM CC(=CC(=O)O[C@@H](C)COc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000735446874 598888425 /nfs/dbraw/zinc/88/84/25/598888425.db2.gz HEZLWJDKEGLNGY-GOFCXVBSSA-N -1 3 364.405 3.281 20 0 FGADHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)[C@H](C)c1ccccc1F ZINC000736038028 598889174 /nfs/dbraw/zinc/88/91/74/598889174.db2.gz RECIDNJSZRHKLU-CHWSQXEVSA-N -1 3 370.384 3.120 20 0 FGADHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)[C@H](C)c1ccccc1F ZINC000736038028 598889176 /nfs/dbraw/zinc/88/91/76/598889176.db2.gz RECIDNJSZRHKLU-CHWSQXEVSA-N -1 3 370.384 3.120 20 0 FGADHM C[C@@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)C[C@H](C)c1ccccc1 ZINC000736038683 598889337 /nfs/dbraw/zinc/88/93/37/598889337.db2.gz WOKGPSVAVNJGKM-GJZGRUSLSA-N -1 3 366.421 3.371 20 0 FGADHM C[C@@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)C[C@H](C)c1ccccc1 ZINC000736038683 598889339 /nfs/dbraw/zinc/88/93/39/598889339.db2.gz WOKGPSVAVNJGKM-GJZGRUSLSA-N -1 3 366.421 3.371 20 0 FGADHM CC(C)(C)C(=O)C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000735586021 598904209 /nfs/dbraw/zinc/90/42/09/598904209.db2.gz HTYVIRAEYRNLOW-UHFFFAOYSA-N -1 3 365.393 3.213 20 0 FGADHM CC(C)(C)C(=O)C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000735586021 598904210 /nfs/dbraw/zinc/90/42/10/598904210.db2.gz HTYVIRAEYRNLOW-UHFFFAOYSA-N -1 3 365.393 3.213 20 0 FGADHM O=C(NC1CCCC1)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000738024624 598927100 /nfs/dbraw/zinc/92/71/00/598927100.db2.gz KYPDXFHRCOCRIA-UHFFFAOYSA-N -1 3 363.421 3.118 20 0 FGADHM O=C(NC1CCCC1)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000738024624 598927101 /nfs/dbraw/zinc/92/71/01/598927101.db2.gz KYPDXFHRCOCRIA-UHFFFAOYSA-N -1 3 363.421 3.118 20 0 FGADHM Clc1cc(-c2nnn[n-]2)cnc1Sc1nnc(-c2cccs2)o1 ZINC000737563994 598936481 /nfs/dbraw/zinc/93/64/81/598936481.db2.gz IYLLQEMMALPOGO-UHFFFAOYSA-N -1 3 363.815 3.178 20 0 FGADHM Clc1cc(-c2nn[n-]n2)cnc1Sc1nnc(-c2cccs2)o1 ZINC000737563994 598936483 /nfs/dbraw/zinc/93/64/83/598936483.db2.gz IYLLQEMMALPOGO-UHFFFAOYSA-N -1 3 363.815 3.178 20 0 FGADHM COc1cccc(C[C@H]2CCCN2c2ncc(-c3nnn[n-]3)cc2Cl)c1 ZINC000737130799 598938938 /nfs/dbraw/zinc/93/89/38/598938938.db2.gz RSUJPAURQTXURI-CQSZACIVSA-N -1 3 370.844 3.135 20 0 FGADHM COc1cccc(C[C@H]2CCCN2c2ncc(-c3nn[n-]n3)cc2Cl)c1 ZINC000737130799 598938941 /nfs/dbraw/zinc/93/89/41/598938941.db2.gz RSUJPAURQTXURI-CQSZACIVSA-N -1 3 370.844 3.135 20 0 FGADHM C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000736199802 598944731 /nfs/dbraw/zinc/94/47/31/598944731.db2.gz BAWMOFWTASJQTR-AWEZNQCLSA-N -1 3 362.437 3.265 20 0 FGADHM C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000736199802 598944733 /nfs/dbraw/zinc/94/47/33/598944733.db2.gz BAWMOFWTASJQTR-AWEZNQCLSA-N -1 3 362.437 3.265 20 0 FGADHM CC[C@@H](C)c1ccc(OS(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)cc1 ZINC000736325654 598948217 /nfs/dbraw/zinc/94/82/17/598948217.db2.gz GKVSLTRLRBYMPQ-GFCCVEGCSA-N -1 3 372.450 3.456 20 0 FGADHM CC[C@@H](C)c1ccc(OS(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)cc1 ZINC000736325654 598948219 /nfs/dbraw/zinc/94/82/19/598948219.db2.gz GKVSLTRLRBYMPQ-GFCCVEGCSA-N -1 3 372.450 3.456 20 0 FGADHM Cc1cccc(NC2CCN(c3nc(C)cc(C)c3-c3nnn[n-]3)CC2)c1 ZINC000737399380 598975525 /nfs/dbraw/zinc/97/55/25/598975525.db2.gz JJPNNQIFUWXJBH-UHFFFAOYSA-N -1 3 363.469 3.268 20 0 FGADHM Cc1cccc(NC2CCN(c3nc(C)cc(C)c3-c3nn[n-]n3)CC2)c1 ZINC000737399380 598975527 /nfs/dbraw/zinc/97/55/27/598975527.db2.gz JJPNNQIFUWXJBH-UHFFFAOYSA-N -1 3 363.469 3.268 20 0 FGADHM CCCOc1ccccc1OCCOc1ccc(-c2nnn[n-]2)cc1OC ZINC000736492420 598977651 /nfs/dbraw/zinc/97/76/51/598977651.db2.gz LLQLNCZBGBCTAC-UHFFFAOYSA-N -1 3 370.409 3.122 20 0 FGADHM CCCOc1ccccc1OCCOc1ccc(-c2nn[n-]n2)cc1OC ZINC000736492420 598977652 /nfs/dbraw/zinc/97/76/52/598977652.db2.gz LLQLNCZBGBCTAC-UHFFFAOYSA-N -1 3 370.409 3.122 20 0 FGADHM C[C@H](CNC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)C(C)(C)C ZINC000736008735 599006679 /nfs/dbraw/zinc/00/66/79/599006679.db2.gz RUKWOFUPCLTUEZ-CQSZACIVSA-N -1 3 359.474 3.214 20 0 FGADHM C[C@H](CNC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)C(C)(C)C ZINC000736008735 599006680 /nfs/dbraw/zinc/00/66/80/599006680.db2.gz RUKWOFUPCLTUEZ-CQSZACIVSA-N -1 3 359.474 3.214 20 0 FGADHM C[C@@H](CCC1CCCCC1)NC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000735987351 599007845 /nfs/dbraw/zinc/00/78/45/599007845.db2.gz ZABZTUVDQOHEGJ-AWEZNQCLSA-N -1 3 357.458 3.111 20 0 FGADHM C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000736237484 599008550 /nfs/dbraw/zinc/00/85/50/599008550.db2.gz WQMRRNHXBNMYMR-ATWWEQPWSA-N -1 3 359.433 3.285 20 0 FGADHM C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000736237484 599008552 /nfs/dbraw/zinc/00/85/52/599008552.db2.gz WQMRRNHXBNMYMR-ATWWEQPWSA-N -1 3 359.433 3.285 20 0 FGADHM O=C1[C@H](Sc2ccc(-c3nnn[n-]3)cc2)CCCN1c1cccc(F)c1 ZINC000738298097 599013955 /nfs/dbraw/zinc/01/39/55/599013955.db2.gz WBAWKVIFBAICRR-MRXNPFEDSA-N -1 3 369.425 3.294 20 0 FGADHM O=C1[C@H](Sc2ccc(-c3nn[n-]n3)cc2)CCCN1c1cccc(F)c1 ZINC000738298097 599013957 /nfs/dbraw/zinc/01/39/57/599013957.db2.gz WBAWKVIFBAICRR-MRXNPFEDSA-N -1 3 369.425 3.294 20 0 FGADHM Cc1cccc([C@H](C)NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)c1C ZINC000737387417 599019104 /nfs/dbraw/zinc/01/91/04/599019104.db2.gz HVLZAGFTPZIFBB-AWEZNQCLSA-N -1 3 367.478 3.453 20 0 FGADHM Cc1cccc([C@H](C)NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)c1C ZINC000737387417 599019106 /nfs/dbraw/zinc/01/91/06/599019106.db2.gz HVLZAGFTPZIFBB-AWEZNQCLSA-N -1 3 367.478 3.453 20 0 FGADHM CCO[C@@H]1C[C@@H](OC(=O)C=Cc2ccccc2-c2nnn[n-]2)C12CCCC2 ZINC000736612291 599028049 /nfs/dbraw/zinc/02/80/49/599028049.db2.gz NFARGIGEZZSOFT-CZDHMLMNSA-N -1 3 368.437 3.161 20 0 FGADHM CCO[C@@H]1C[C@@H](OC(=O)C=Cc2ccccc2-c2nn[n-]n2)C12CCCC2 ZINC000736612291 599028050 /nfs/dbraw/zinc/02/80/50/599028050.db2.gz NFARGIGEZZSOFT-CZDHMLMNSA-N -1 3 368.437 3.161 20 0 FGADHM CCO[C@H]1C[C@@H](OC(=O)CCc2ccc(-c3nnn[n-]3)cc2)C12CCCC2 ZINC000736615436 599028372 /nfs/dbraw/zinc/02/83/72/599028372.db2.gz YBHIXSLHLFHRMV-DLBZAZTESA-N -1 3 370.453 3.080 20 0 FGADHM CCO[C@H]1C[C@@H](OC(=O)CCc2ccc(-c3nn[n-]n3)cc2)C12CCCC2 ZINC000736615436 599028374 /nfs/dbraw/zinc/02/83/74/599028374.db2.gz YBHIXSLHLFHRMV-DLBZAZTESA-N -1 3 370.453 3.080 20 0 FGADHM CCO[C@H]1C[C@H](OC(=O)CCc2ccc(-c3nnn[n-]3)cc2)C12CCCC2 ZINC000736615441 599028431 /nfs/dbraw/zinc/02/84/31/599028431.db2.gz YBHIXSLHLFHRMV-IRXDYDNUSA-N -1 3 370.453 3.080 20 0 FGADHM CCO[C@H]1C[C@H](OC(=O)CCc2ccc(-c3nn[n-]n3)cc2)C12CCCC2 ZINC000736615441 599028432 /nfs/dbraw/zinc/02/84/32/599028432.db2.gz YBHIXSLHLFHRMV-IRXDYDNUSA-N -1 3 370.453 3.080 20 0 FGADHM C[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2Cl)C[C@H](c2ccc(F)cc2)O1 ZINC000820776982 599039673 /nfs/dbraw/zinc/03/96/73/599039673.db2.gz ONDAUYXBQBRRBN-MEBBXXQBSA-N -1 3 374.807 3.021 20 0 FGADHM C[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2Cl)C[C@H](c2ccc(F)cc2)O1 ZINC000820776982 599039675 /nfs/dbraw/zinc/03/96/75/599039675.db2.gz ONDAUYXBQBRRBN-MEBBXXQBSA-N -1 3 374.807 3.021 20 0 FGADHM COc1cc(CN(C)c2ccc(-c3nn[n-]n3)cc2)c(SC)cc1OC ZINC000737045795 599047008 /nfs/dbraw/zinc/04/70/08/599047008.db2.gz NNIBBZDFYNKVJB-UHFFFAOYSA-N -1 3 371.466 3.242 20 0 FGADHM CCS[C@H]1CCCCN(c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)C1 ZINC000736664173 599056878 /nfs/dbraw/zinc/05/68/78/599056878.db2.gz JSJOIXDWDMWDOO-JTQLQIEISA-N -1 3 372.420 3.393 20 0 FGADHM CCS[C@H]1CCCCN(c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)C1 ZINC000736664173 599056880 /nfs/dbraw/zinc/05/68/80/599056880.db2.gz JSJOIXDWDMWDOO-JTQLQIEISA-N -1 3 372.420 3.393 20 0 FGADHM Cc1cccc(O[C@@H](C)CNc2c(-c3nnn[n-]3)cnc3ccccc32)c1 ZINC000822329101 599057928 /nfs/dbraw/zinc/05/79/28/599057928.db2.gz YATDNPWEWASVRB-AWEZNQCLSA-N -1 3 360.421 3.025 20 0 FGADHM Cc1cccc(O[C@@H](C)CNc2c(-c3nn[n-]n3)cnc3ccccc32)c1 ZINC000822329101 599057931 /nfs/dbraw/zinc/05/79/31/599057931.db2.gz YATDNPWEWASVRB-AWEZNQCLSA-N -1 3 360.421 3.025 20 0 FGADHM Cc1nnc(NCCc2c[nH]c3ccc(Cl)cc23)c(-c2nnn[n-]2)c1C ZINC000822515118 599066205 /nfs/dbraw/zinc/06/62/05/599066205.db2.gz KAXFOLINYSKZRJ-UHFFFAOYSA-N -1 3 368.832 3.063 20 0 FGADHM Cc1nnc(NCCc2c[nH]c3ccc(Cl)cc23)c(-c2nn[n-]n2)c1C ZINC000822515118 599066207 /nfs/dbraw/zinc/06/62/07/599066207.db2.gz KAXFOLINYSKZRJ-UHFFFAOYSA-N -1 3 368.832 3.063 20 0 FGADHM CS[C@H]1CC[C@H](Nc2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)C1 ZINC000821951354 599072914 /nfs/dbraw/zinc/07/29/14/599072914.db2.gz XJNONTYWUJDWMZ-UWVGGRQHSA-N -1 3 362.409 3.389 20 0 FGADHM CS[C@H]1CC[C@H](Nc2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)C1 ZINC000821951354 599072920 /nfs/dbraw/zinc/07/29/20/599072920.db2.gz XJNONTYWUJDWMZ-UWVGGRQHSA-N -1 3 362.409 3.389 20 0 FGADHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(N3C[C@@H](C)S[C@H](C)C3)c2c1 ZINC000822195341 599075329 /nfs/dbraw/zinc/07/53/29/599075329.db2.gz PJHYTTODVRDAPX-CHWSQXEVSA-N -1 3 354.483 3.362 20 0 FGADHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(N3C[C@@H](C)S[C@H](C)C3)c2c1 ZINC000822195341 599075332 /nfs/dbraw/zinc/07/53/32/599075332.db2.gz PJHYTTODVRDAPX-CHWSQXEVSA-N -1 3 354.483 3.362 20 0 FGADHM Cc1c(NCc2nnc(-c3ccc(Cl)cc3)o2)cccc1-c1nnn[n-]1 ZINC000822122872 607258285 /nfs/dbraw/zinc/25/82/85/607258285.db2.gz RLKOAJNRQANACM-UHFFFAOYSA-N -1 3 367.800 3.491 20 0 FGADHM Cc1c(NCc2nnc(-c3ccc(Cl)cc3)o2)cccc1-c1nn[n-]n1 ZINC000822122872 607258286 /nfs/dbraw/zinc/25/82/86/607258286.db2.gz RLKOAJNRQANACM-UHFFFAOYSA-N -1 3 367.800 3.491 20 0 FGADHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2N1C[C@@H](C)S[C@H](C)C1 ZINC000822203425 599075897 /nfs/dbraw/zinc/07/58/97/599075897.db2.gz SYPQXSBIYXHDQX-GHMZBOCLSA-N -1 3 358.446 3.193 20 0 FGADHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2N1C[C@@H](C)S[C@H](C)C1 ZINC000822203425 599075899 /nfs/dbraw/zinc/07/58/99/599075899.db2.gz SYPQXSBIYXHDQX-GHMZBOCLSA-N -1 3 358.446 3.193 20 0 FGADHM COc1ccccc1O[C@H](C)CNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000821904469 599077286 /nfs/dbraw/zinc/07/72/86/599077286.db2.gz WCPNHCXQABTZOL-LLVKDONJSA-N -1 3 359.817 3.408 20 0 FGADHM COc1ccccc1O[C@H](C)CNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000821904469 599077289 /nfs/dbraw/zinc/07/72/89/599077289.db2.gz WCPNHCXQABTZOL-LLVKDONJSA-N -1 3 359.817 3.408 20 0 FGADHM CCc1ccc([C@H]2CCCCN2C(=O)c2cccc(-c3nnn[n-]3)c2)o1 ZINC000736688520 599084934 /nfs/dbraw/zinc/08/49/34/599084934.db2.gz WDYKOQCAGUUOOG-MRXNPFEDSA-N -1 3 351.410 3.390 20 0 FGADHM CCc1ccc([C@H]2CCCCN2C(=O)c2cccc(-c3nn[n-]n3)c2)o1 ZINC000736688520 599084938 /nfs/dbraw/zinc/08/49/38/599084938.db2.gz WDYKOQCAGUUOOG-MRXNPFEDSA-N -1 3 351.410 3.390 20 0 FGADHM Cc1cc(C)c(-c2nnn[n-]2)c(NCCCCCC(=O)OC(C)(C)C)n1 ZINC000822192985 599090789 /nfs/dbraw/zinc/09/07/89/599090789.db2.gz HTTFZFIJSUFZLO-UHFFFAOYSA-N -1 3 360.462 3.193 20 0 FGADHM Cc1cc(C)c(-c2nn[n-]n2)c(NCCCCCC(=O)OC(C)(C)C)n1 ZINC000822192985 599090791 /nfs/dbraw/zinc/09/07/91/599090791.db2.gz HTTFZFIJSUFZLO-UHFFFAOYSA-N -1 3 360.462 3.193 20 0 FGADHM CC[C@@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)c1ccc2c(c1)OCCO2 ZINC000820926709 599095894 /nfs/dbraw/zinc/09/58/94/599095894.db2.gz VQJCFSGIJBRJDR-CYBMUJFWSA-N -1 3 372.816 3.250 20 0 FGADHM CC[C@@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)c1ccc2c(c1)OCCO2 ZINC000820926709 599095897 /nfs/dbraw/zinc/09/58/97/599095897.db2.gz VQJCFSGIJBRJDR-CYBMUJFWSA-N -1 3 372.816 3.250 20 0 FGADHM C[C@H](CCc1cccc(F)c1)C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820254697 599136104 /nfs/dbraw/zinc/13/61/04/599136104.db2.gz VCMAKIOCVHPWEF-KGLIPLIRSA-N -1 3 367.428 3.452 20 0 FGADHM C[C@H](CCc1cccc(F)c1)C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820254697 599136107 /nfs/dbraw/zinc/13/61/07/599136107.db2.gz VCMAKIOCVHPWEF-KGLIPLIRSA-N -1 3 367.428 3.452 20 0 FGADHM C/C(=C\C(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1)C(C)(C)C ZINC000819764028 599152784 /nfs/dbraw/zinc/15/27/84/599152784.db2.gz DGNSJUGMTXHFEK-WYMLVPIESA-N -1 3 369.469 3.229 20 0 FGADHM C/C(=C\C(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1)C(C)(C)C ZINC000819764028 599152787 /nfs/dbraw/zinc/15/27/87/599152787.db2.gz DGNSJUGMTXHFEK-WYMLVPIESA-N -1 3 369.469 3.229 20 0 FGADHM C[C@H](CCc1ccccc1F)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000820253897 599152919 /nfs/dbraw/zinc/15/29/19/599152919.db2.gz KRZOFXAJRNFLPD-GFCCVEGCSA-N -1 3 371.391 3.030 20 0 FGADHM C[C@H](CCc1ccccc1F)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000820253897 599152922 /nfs/dbraw/zinc/15/29/22/599152922.db2.gz KRZOFXAJRNFLPD-GFCCVEGCSA-N -1 3 371.391 3.030 20 0 FGADHM C[C@@H](NCc1cccc(-c2nnn[n-]2)c1)c1nc(C2CCCCC2)no1 ZINC000820432158 599157662 /nfs/dbraw/zinc/15/76/62/599157662.db2.gz MOHYWKNUBGRRSN-GFCCVEGCSA-N -1 3 353.430 3.148 20 0 FGADHM C[C@@H](NCc1cccc(-c2nn[n-]n2)c1)c1nc(C2CCCCC2)no1 ZINC000820432158 599157664 /nfs/dbraw/zinc/15/76/64/599157664.db2.gz MOHYWKNUBGRRSN-GFCCVEGCSA-N -1 3 353.430 3.148 20 0 FGADHM Clc1ccc(SCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)nc1 ZINC000737574902 599165054 /nfs/dbraw/zinc/16/50/54/599165054.db2.gz VXSINZROFQYCQD-UHFFFAOYSA-N -1 3 371.813 3.257 20 0 FGADHM Clc1ccc(SCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)nc1 ZINC000737574902 599165057 /nfs/dbraw/zinc/16/50/57/599165057.db2.gz VXSINZROFQYCQD-UHFFFAOYSA-N -1 3 371.813 3.257 20 0 FGADHM O=C(CC12CC3CC(CC(C3)C1)C2)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822941122 599167581 /nfs/dbraw/zinc/16/75/81/599167581.db2.gz QNKFYBHJDQNNRO-UHFFFAOYSA-N -1 3 369.444 3.229 20 0 FGADHM O=C(CC12CC3CC(CC(C3)C1)C2)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822941122 599167584 /nfs/dbraw/zinc/16/75/84/599167584.db2.gz QNKFYBHJDQNNRO-UHFFFAOYSA-N -1 3 369.444 3.229 20 0 FGADHM Cc1cc(C)c(-c2nnn[n-]2)c(NC[C@H](O)c2ccc(C(C)(C)C)cc2)n1 ZINC000737240752 599170806 /nfs/dbraw/zinc/17/08/06/599170806.db2.gz MIFMTZHGZBKWFV-INIZCTEOSA-N -1 3 366.469 3.322 20 0 FGADHM Cc1cc(C)c(-c2nn[n-]n2)c(NC[C@H](O)c2ccc(C(C)(C)C)cc2)n1 ZINC000737240752 599170807 /nfs/dbraw/zinc/17/08/07/599170807.db2.gz MIFMTZHGZBKWFV-INIZCTEOSA-N -1 3 366.469 3.322 20 0 FGADHM Fc1cccc(N2CCC[C@H](Nc3ccc(-c4nn[n-]n4)cc3F)C2)c1 ZINC000737659198 599171963 /nfs/dbraw/zinc/17/19/63/599171963.db2.gz AKAMIRGVURDORD-AWEZNQCLSA-N -1 3 356.380 3.226 20 0 FGADHM CC(C)C[C@@H](C(=O)NCc1cc(-c2nnn[n-]2)ccc1F)c1ccccc1 ZINC000820051054 599175295 /nfs/dbraw/zinc/17/52/95/599175295.db2.gz KBXKPFQMOHXMRL-QGZVFWFLSA-N -1 3 367.428 3.452 20 0 FGADHM CC(C)C[C@@H](C(=O)NCc1cc(-c2nn[n-]n2)ccc1F)c1ccccc1 ZINC000820051054 599175297 /nfs/dbraw/zinc/17/52/97/599175297.db2.gz KBXKPFQMOHXMRL-QGZVFWFLSA-N -1 3 367.428 3.452 20 0 FGADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)Nc1cccc(CC(F)(F)F)c1 ZINC000823077812 599198084 /nfs/dbraw/zinc/19/80/84/599198084.db2.gz BEBUHHUSVZBDMY-UHFFFAOYSA-N -1 3 361.327 3.153 20 0 FGADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)Nc1cccc(CC(F)(F)F)c1 ZINC000823077812 599198087 /nfs/dbraw/zinc/19/80/87/599198087.db2.gz BEBUHHUSVZBDMY-UHFFFAOYSA-N -1 3 361.327 3.153 20 0 FGADHM CC(C)[C@H](Cc1ccc(F)cc1)N(C)C(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820021063 599210747 /nfs/dbraw/zinc/21/07/47/599210747.db2.gz OXEWQAYJSVLPKZ-SFHVURJKSA-N -1 3 367.428 3.345 20 0 FGADHM CC(C)[C@H](Cc1ccc(F)cc1)N(C)C(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820021063 599210748 /nfs/dbraw/zinc/21/07/48/599210748.db2.gz OXEWQAYJSVLPKZ-SFHVURJKSA-N -1 3 367.428 3.345 20 0 FGADHM CC[C@@H](CC1CCCCC1)C(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000736350402 599217161 /nfs/dbraw/zinc/21/71/61/599217161.db2.gz NBFSHHWNXXBXGG-INIZCTEOSA-N -1 3 371.485 3.358 20 0 FGADHM O=C(NCc1cccs1)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000826443569 607833801 /nfs/dbraw/zinc/83/38/01/607833801.db2.gz VZDSRGCVAHDMDU-UHFFFAOYSA-N -1 3 354.222 3.165 20 0 FGADHM O=C(NCc1cccs1)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000826443569 607833802 /nfs/dbraw/zinc/83/38/02/607833802.db2.gz VZDSRGCVAHDMDU-UHFFFAOYSA-N -1 3 354.222 3.165 20 0 FGADHM COc1cccc(CN(C)c2ccc(Br)cc2-c2nnn[n-]2)c1 ZINC000737130973 599361726 /nfs/dbraw/zinc/36/17/26/599361726.db2.gz KHGAEAVOLNPQNX-UHFFFAOYSA-N -1 3 374.242 3.274 20 0 FGADHM COc1cccc(CN(C)c2ccc(Br)cc2-c2nn[n-]n2)c1 ZINC000737130973 599361728 /nfs/dbraw/zinc/36/17/28/599361728.db2.gz KHGAEAVOLNPQNX-UHFFFAOYSA-N -1 3 374.242 3.274 20 0 FGADHM COc1ccc(Cl)cc1NC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821828143 599235786 /nfs/dbraw/zinc/23/57/86/599235786.db2.gz RDDYKJHMVOZENT-SNVBAGLBSA-N -1 3 372.816 3.411 20 0 FGADHM COc1ccc(Cl)cc1NC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821828143 599235788 /nfs/dbraw/zinc/23/57/88/599235788.db2.gz RDDYKJHMVOZENT-SNVBAGLBSA-N -1 3 372.816 3.411 20 0 FGADHM Cc1c(NC(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)cccc1-c1nnn[n-]1 ZINC000822061498 607266911 /nfs/dbraw/zinc/26/69/11/607266911.db2.gz ODMOGXGHTXRQSK-STQMWFEESA-N -1 3 355.348 3.196 20 0 FGADHM Cc1c(NC(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)cccc1-c1nn[n-]n1 ZINC000822061498 607266912 /nfs/dbraw/zinc/26/69/12/607266912.db2.gz ODMOGXGHTXRQSK-STQMWFEESA-N -1 3 355.348 3.196 20 0 FGADHM C[C@@H](NC(=S)Nc1ccc2c(c1)CCC2)c1cccc(-c2nnn[n-]2)c1 ZINC000820404523 599238312 /nfs/dbraw/zinc/23/83/12/599238312.db2.gz XBNRGGAOLCQGFI-GFCCVEGCSA-N -1 3 364.478 3.403 20 0 FGADHM C[C@@H](NC(=S)Nc1ccc2c(c1)CCC2)c1cccc(-c2nn[n-]n2)c1 ZINC000820404523 599238315 /nfs/dbraw/zinc/23/83/15/599238315.db2.gz XBNRGGAOLCQGFI-GFCCVEGCSA-N -1 3 364.478 3.403 20 0 FGADHM CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000820021039 599240189 /nfs/dbraw/zinc/24/01/89/599240189.db2.gz OHPQGBCJXFGGCZ-QGZVFWFLSA-N -1 3 368.416 3.395 20 0 FGADHM CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000820021039 599240191 /nfs/dbraw/zinc/24/01/91/599240191.db2.gz OHPQGBCJXFGGCZ-QGZVFWFLSA-N -1 3 368.416 3.395 20 0 FGADHM Cc1cc(C)cc(OCCC(=O)Nc2cccc(-c3nnn[n-]3)c2C)c1 ZINC000822197985 607269921 /nfs/dbraw/zinc/26/99/21/607269921.db2.gz XUQJKQKCMXEVEK-UHFFFAOYSA-N -1 3 351.410 3.200 20 0 FGADHM Cc1cc(C)cc(OCCC(=O)Nc2cccc(-c3nn[n-]n3)c2C)c1 ZINC000822197985 607269922 /nfs/dbraw/zinc/26/99/22/607269922.db2.gz XUQJKQKCMXEVEK-UHFFFAOYSA-N -1 3 351.410 3.200 20 0 FGADHM CCCC[C@@H](CC)CC(=O)O[C@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000736439796 599241625 /nfs/dbraw/zinc/24/16/25/599241625.db2.gz YYGMUSGCXIYBBX-ZIAGYGMSSA-N -1 3 373.457 3.343 20 0 FGADHM CCCC[C@@H](CC)CC(=O)O[C@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000736439796 599241626 /nfs/dbraw/zinc/24/16/26/599241626.db2.gz YYGMUSGCXIYBBX-ZIAGYGMSSA-N -1 3 373.457 3.343 20 0 FGADHM Cc1c(NC(=O)C=Cc2ccc(Br)o2)cccc1-c1nnn[n-]1 ZINC000822068416 607271782 /nfs/dbraw/zinc/27/17/82/607271782.db2.gz RNPRKBGEOLLKRJ-SOFGYWHQSA-N -1 3 374.198 3.183 20 0 FGADHM Cc1c(NC(=O)C=Cc2ccc(Br)o2)cccc1-c1nn[n-]n1 ZINC000822068416 607271783 /nfs/dbraw/zinc/27/17/83/607271783.db2.gz RNPRKBGEOLLKRJ-SOFGYWHQSA-N -1 3 374.198 3.183 20 0 FGADHM Cc1c(NC(=O)c2ccc(Br)s2)cccc1-c1nnn[n-]1 ZINC000822109382 607271872 /nfs/dbraw/zinc/27/18/72/607271872.db2.gz QYJRWQFHTXNQRD-UHFFFAOYSA-N -1 3 364.228 3.251 20 0 FGADHM Cc1c(NC(=O)c2ccc(Br)s2)cccc1-c1nn[n-]n1 ZINC000822109382 607271873 /nfs/dbraw/zinc/27/18/73/607271873.db2.gz QYJRWQFHTXNQRD-UHFFFAOYSA-N -1 3 364.228 3.251 20 0 FGADHM CN(C(=O)Nc1ccccc1CC(=O)[O-])[C@@H]1CCN(Cc2ccccc2)C1 ZINC000312746080 597133772 /nfs/dbraw/zinc/13/37/72/597133772.db2.gz WGTDQFQTBKVQFC-GOSISDBHSA-N -1 3 367.449 3.052 20 0 FGADHM COc1ccc(CN(C)C)cc1NC(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000738098193 597169626 /nfs/dbraw/zinc/16/96/26/597169626.db2.gz WGCCUCCAKXPRME-UHFFFAOYSA-N -1 3 357.410 3.028 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(C)(C)Cc1ccccc1 ZINC000736637631 599248323 /nfs/dbraw/zinc/24/83/23/599248323.db2.gz XKKNJLROARYEJA-UHFFFAOYSA-N -1 3 365.437 3.473 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(C)(C)Cc1ccccc1 ZINC000736637631 599248326 /nfs/dbraw/zinc/24/83/26/599248326.db2.gz XKKNJLROARYEJA-UHFFFAOYSA-N -1 3 365.437 3.473 20 0 FGADHM CSc1ccc(NC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821985132 599253447 /nfs/dbraw/zinc/25/34/47/599253447.db2.gz ZZTNSEYPOKYHAV-LLVKDONJSA-N -1 3 354.439 3.471 20 0 FGADHM CSc1ccc(NC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821985132 599253449 /nfs/dbraw/zinc/25/34/49/599253449.db2.gz ZZTNSEYPOKYHAV-LLVKDONJSA-N -1 3 354.439 3.471 20 0 FGADHM CC1CCC(N2CCN(C(=O)Nc3ccccc3CC(=O)[O-])CC2)CC1 ZINC000818090072 597323011 /nfs/dbraw/zinc/32/30/11/597323011.db2.gz NDQUGLRKFCHCPK-UHFFFAOYSA-N -1 3 359.470 3.042 20 0 FGADHM Cc1c(NC(=O)N2CCC[C@@H]2Cc2ccccc2)cccc1-c1nnn[n-]1 ZINC000822083746 607290512 /nfs/dbraw/zinc/29/05/12/607290512.db2.gz DLKCDRDGQNTUCN-MRXNPFEDSA-N -1 3 362.437 3.414 20 0 FGADHM Cc1c(NC(=O)N2CCC[C@@H]2Cc2ccccc2)cccc1-c1nn[n-]n1 ZINC000822083746 607290513 /nfs/dbraw/zinc/29/05/13/607290513.db2.gz DLKCDRDGQNTUCN-MRXNPFEDSA-N -1 3 362.437 3.414 20 0 FGADHM CSc1ccc(O[C@H](C)C(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1 ZINC000821984823 607294816 /nfs/dbraw/zinc/29/48/16/607294816.db2.gz UNPWMWNGLXOFTL-GFCCVEGCSA-N -1 3 369.450 3.303 20 0 FGADHM CSc1ccc(O[C@H](C)C(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1 ZINC000821984823 607294817 /nfs/dbraw/zinc/29/48/17/607294817.db2.gz UNPWMWNGLXOFTL-GFCCVEGCSA-N -1 3 369.450 3.303 20 0 FGADHM CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000819906754 607298701 /nfs/dbraw/zinc/29/87/01/607298701.db2.gz JXAVFQWQDZPDEM-YPMHNXCESA-N -1 3 362.865 3.250 20 0 FGADHM CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000819906754 607298702 /nfs/dbraw/zinc/29/87/02/607298702.db2.gz JXAVFQWQDZPDEM-YPMHNXCESA-N -1 3 362.865 3.250 20 0 FGADHM C[C@@H](NC(=O)c1ncc(-c2nnn[n-]2)cc1Cl)C(C)(C)c1ccccc1 ZINC000820402459 607300393 /nfs/dbraw/zinc/30/03/93/607300393.db2.gz DNKVNXQSESRXBA-LLVKDONJSA-N -1 3 370.844 3.011 20 0 FGADHM C[C@@H](NC(=O)c1ncc(-c2nn[n-]n2)cc1Cl)C(C)(C)c1ccccc1 ZINC000820402459 607300394 /nfs/dbraw/zinc/30/03/94/607300394.db2.gz DNKVNXQSESRXBA-LLVKDONJSA-N -1 3 370.844 3.011 20 0 FGADHM O[C@@H]1CCCC[C@H]1CCCNc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000823706910 607306506 /nfs/dbraw/zinc/30/65/06/607306506.db2.gz RQKPGKXICKFVKW-SUMWQHHRSA-N -1 3 352.442 3.158 20 0 FGADHM O[C@@H]1CCCC[C@H]1CCCNc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000823706910 607306507 /nfs/dbraw/zinc/30/65/07/607306507.db2.gz RQKPGKXICKFVKW-SUMWQHHRSA-N -1 3 352.442 3.158 20 0 FGADHM O[C@H]1CCCC[C@H]1CCCNc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000823706909 607306684 /nfs/dbraw/zinc/30/66/84/607306684.db2.gz RQKPGKXICKFVKW-GUYCJALGSA-N -1 3 352.442 3.158 20 0 FGADHM O[C@H]1CCCC[C@H]1CCCNc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000823706909 607306685 /nfs/dbraw/zinc/30/66/85/607306685.db2.gz RQKPGKXICKFVKW-GUYCJALGSA-N -1 3 352.442 3.158 20 0 FGADHM CCN(Cc1ccc2c(c1)OCO2)c1c(-c2nnn[n-]2)cnc2ccccc21 ZINC000736558248 599264193 /nfs/dbraw/zinc/26/41/93/599264193.db2.gz GHJBQWVNPZUICW-UHFFFAOYSA-N -1 3 374.404 3.170 20 0 FGADHM CCN(Cc1ccc2c(c1)OCO2)c1c(-c2nn[n-]n2)cnc2ccccc21 ZINC000736558248 599264194 /nfs/dbraw/zinc/26/41/94/599264194.db2.gz GHJBQWVNPZUICW-UHFFFAOYSA-N -1 3 374.404 3.170 20 0 FGADHM COCCOc1ccc(NCc2ccc(-c3nnn[n-]3)s2)cc1Cl ZINC000821693617 607309925 /nfs/dbraw/zinc/30/99/25/607309925.db2.gz GSCZGTLDODFTKE-UHFFFAOYSA-N -1 3 365.846 3.219 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N1C[C@H](C)CCC[C@@H]1C ZINC000821406217 599264887 /nfs/dbraw/zinc/26/48/87/599264887.db2.gz CTCUNLHONTXFFA-OLZOCXBDSA-N -1 3 358.446 3.308 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N1C[C@H](C)CCC[C@@H]1C ZINC000821406217 599264888 /nfs/dbraw/zinc/26/48/88/599264888.db2.gz CTCUNLHONTXFFA-OLZOCXBDSA-N -1 3 358.446 3.308 20 0 FGADHM c1cc(-c2nnn[n-]2)sc1CNc1ccccc1OC[C@@H]1CCCCO1 ZINC000823792211 607314649 /nfs/dbraw/zinc/31/46/49/607314649.db2.gz PVQMFDSMWXZESI-ZDUSSCGKSA-N -1 3 371.466 3.488 20 0 FGADHM COc1ccc(CNc2cccc(-c3ncc(C)o3)c2)cc1-c1nnn[n-]1 ZINC000821821791 607317152 /nfs/dbraw/zinc/31/71/52/607317152.db2.gz WYELAVDTDFULAV-UHFFFAOYSA-N -1 3 362.393 3.451 20 0 FGADHM COc1ccc(CNc2cccc(-c3ncc(C)o3)c2)cc1-c1nn[n-]n1 ZINC000821821791 607317153 /nfs/dbraw/zinc/31/71/53/607317153.db2.gz WYELAVDTDFULAV-UHFFFAOYSA-N -1 3 362.393 3.451 20 0 FGADHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2NCc1cccc(F)c1 ZINC000737264600 599270075 /nfs/dbraw/zinc/27/00/75/599270075.db2.gz UAUGPXFVPHAAJH-UHFFFAOYSA-N -1 3 352.348 3.036 20 0 FGADHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2NCc1cccc(F)c1 ZINC000737264600 599270077 /nfs/dbraw/zinc/27/00/77/599270077.db2.gz UAUGPXFVPHAAJH-UHFFFAOYSA-N -1 3 352.348 3.036 20 0 FGADHM CCc1ccc([C@H]2CCCN2C(=O)Nc2cccc(-c3nnn[n-]3)c2)o1 ZINC000736686590 599275878 /nfs/dbraw/zinc/27/58/78/599275878.db2.gz PHHSVTNDICDXAI-OAHLLOKOSA-N -1 3 352.398 3.391 20 0 FGADHM CCc1ccc([C@H]2CCCN2C(=O)Nc2cccc(-c3nn[n-]n3)c2)o1 ZINC000736686590 599275880 /nfs/dbraw/zinc/27/58/80/599275880.db2.gz PHHSVTNDICDXAI-OAHLLOKOSA-N -1 3 352.398 3.391 20 0 FGADHM Cc1ccc([C@H](C)OC(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822271243 607320503 /nfs/dbraw/zinc/32/05/03/607320503.db2.gz SQTDLVQUKPETTN-KBPBESRZSA-N -1 3 352.394 3.247 20 0 FGADHM C[C@@H](NC(=O)Nc1cc(F)c(F)cc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000820374822 599281307 /nfs/dbraw/zinc/28/13/07/599281307.db2.gz QODMBIKIPRBMBO-MRVPVSSYSA-N -1 3 362.315 3.167 20 0 FGADHM C[C@@H](NC(=O)Nc1cc(F)c(F)cc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000820374822 599281310 /nfs/dbraw/zinc/28/13/10/599281310.db2.gz QODMBIKIPRBMBO-MRVPVSSYSA-N -1 3 362.315 3.167 20 0 FGADHM Cc1ccc(NC(=O)COc2c(C)cc(-c3nn[n-]n3)cc2C)c(C)c1 ZINC000737355947 599283788 /nfs/dbraw/zinc/28/37/88/599283788.db2.gz BPHCESNAOWDEJD-UHFFFAOYSA-N -1 3 351.410 3.118 20 0 FGADHM C[C@@H]1C[C@H](C)CN1C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820648594 599288387 /nfs/dbraw/zinc/28/83/87/599288387.db2.gz CLFAZMOBJWRGMP-DTWKUNHWSA-N -1 3 354.336 3.148 20 0 FGADHM C[C@@H]1C[C@H](C)CN1C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820648594 599288389 /nfs/dbraw/zinc/28/83/89/599288389.db2.gz CLFAZMOBJWRGMP-DTWKUNHWSA-N -1 3 354.336 3.148 20 0 FGADHM Cc1cccc(-c2c[nH]c([C@H]3CCCN3c3ccc(-c4nnn[n-]4)nc3)n2)c1 ZINC000822284728 607328606 /nfs/dbraw/zinc/32/86/06/607328606.db2.gz XYMWZJGGTXANIE-GOSISDBHSA-N -1 3 372.436 3.302 20 0 FGADHM Cc1cccc(-c2c[nH]c([C@H]3CCCN3c3ccc(-c4nn[n-]n4)nc3)n2)c1 ZINC000822284728 607328607 /nfs/dbraw/zinc/32/86/07/607328607.db2.gz XYMWZJGGTXANIE-GOSISDBHSA-N -1 3 372.436 3.302 20 0 FGADHM CCC(=O)c1cccc(NCCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000820842520 607332421 /nfs/dbraw/zinc/33/24/21/607332421.db2.gz NKXHSGZSNOBACH-UHFFFAOYSA-N -1 3 351.410 3.340 20 0 FGADHM CCC(=O)c1cccc(NCCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC000820842520 607332422 /nfs/dbraw/zinc/33/24/22/607332422.db2.gz NKXHSGZSNOBACH-UHFFFAOYSA-N -1 3 351.410 3.340 20 0 FGADHM CC(C)(C)OC(=O)Nc1ccc(CNCc2cccc(C(=O)[O-])c2)cn1 ZINC000756303641 598194369 /nfs/dbraw/zinc/19/43/69/598194369.db2.gz XFSBKICQDZXWHL-UHFFFAOYSA-N -1 3 357.410 3.417 20 0 FGADHM CCO[C@@H]1C[C@@H]1C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736609895 598231747 /nfs/dbraw/zinc/23/17/47/598231747.db2.gz GWNYEBMWZFAZSY-DLBZAZTESA-N -1 3 365.393 3.023 20 0 FGADHM CCO[C@@H]1C[C@@H]1C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736609895 598231749 /nfs/dbraw/zinc/23/17/49/598231749.db2.gz GWNYEBMWZFAZSY-DLBZAZTESA-N -1 3 365.393 3.023 20 0 FGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)Nc1cc(F)c(F)cc1F ZINC000737942309 598235807 /nfs/dbraw/zinc/23/58/07/598235807.db2.gz YCMXTSZDVBOGEC-UHFFFAOYSA-N -1 3 365.340 3.015 20 0 FGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)Nc1cc(F)c(F)cc1F ZINC000737942309 598235808 /nfs/dbraw/zinc/23/58/08/598235808.db2.gz YCMXTSZDVBOGEC-UHFFFAOYSA-N -1 3 365.340 3.015 20 0 FGADHM O=C(c1cccc(-c2nnn[n-]2)c1)N1CCCC[C@H]1Cc1ccc(F)cc1 ZINC000738271552 598240446 /nfs/dbraw/zinc/24/04/46/598240446.db2.gz XXKLLCUGNPZAJR-SFHVURJKSA-N -1 3 365.412 3.243 20 0 FGADHM O=C(c1cccc(-c2nn[n-]n2)c1)N1CCCC[C@H]1Cc1ccc(F)cc1 ZINC000738271552 598240447 /nfs/dbraw/zinc/24/04/47/598240447.db2.gz XXKLLCUGNPZAJR-SFHVURJKSA-N -1 3 365.412 3.243 20 0 FGADHM Cc1ccc2[nH]c3c(c2c1)CN(Cc1cc(-c2nnn[n-]2)ccc1F)CC3 ZINC000737372759 598250719 /nfs/dbraw/zinc/25/07/19/598250719.db2.gz JVWWUHGVMBYGQJ-UHFFFAOYSA-N -1 3 362.412 3.354 20 0 FGADHM Cc1ccc2[nH]c3c(c2c1)CN(Cc1cc(-c2nn[n-]n2)ccc1F)CC3 ZINC000737372759 598250721 /nfs/dbraw/zinc/25/07/21/598250721.db2.gz JVWWUHGVMBYGQJ-UHFFFAOYSA-N -1 3 362.412 3.354 20 0 FGADHM Cc1ccc(N(CC(=O)Nc2sccc2-c2nnn[n-]2)C(C)C)cc1 ZINC000737346441 598251665 /nfs/dbraw/zinc/25/16/65/598251665.db2.gz FOXVKFVXURRCSZ-UHFFFAOYSA-N -1 3 356.455 3.090 20 0 FGADHM Cc1ccc(N(CC(=O)Nc2sccc2-c2nn[n-]n2)C(C)C)cc1 ZINC000737346441 598251666 /nfs/dbraw/zinc/25/16/66/598251666.db2.gz FOXVKFVXURRCSZ-UHFFFAOYSA-N -1 3 356.455 3.090 20 0 FGADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H]1CCC[C@@H]1C ZINC000735830490 598256506 /nfs/dbraw/zinc/25/65/06/598256506.db2.gz GYMLRWWZGSGIKQ-YOEHRIQHSA-N -1 3 356.474 3.223 20 0 FGADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H]1CCC[C@@H]1C ZINC000735830490 598256507 /nfs/dbraw/zinc/25/65/07/598256507.db2.gz GYMLRWWZGSGIKQ-YOEHRIQHSA-N -1 3 356.474 3.223 20 0 FGADHM CCOc1cc2c(cc1NCc1ccccc1-c1nnn[n-]1)O[C@H](C)C2 ZINC000736634480 598283178 /nfs/dbraw/zinc/28/31/78/598283178.db2.gz HPLIAHCJMPKNLI-GFCCVEGCSA-N -1 3 351.410 3.201 20 0 FGADHM CCOc1cc2c(cc1NCc1ccccc1-c1nn[n-]n1)O[C@H](C)C2 ZINC000736634480 598283179 /nfs/dbraw/zinc/28/31/79/598283179.db2.gz HPLIAHCJMPKNLI-GFCCVEGCSA-N -1 3 351.410 3.201 20 0 FGADHM CC[C@H](NC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1)C1CCCCC1 ZINC000736361217 598283385 /nfs/dbraw/zinc/28/33/85/598283385.db2.gz GFFUABXURSQAFU-KRWDZBQOSA-N -1 3 356.474 3.367 20 0 FGADHM CC[C@H](NC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1)C1CCCCC1 ZINC000736361217 598283386 /nfs/dbraw/zinc/28/33/86/598283386.db2.gz GFFUABXURSQAFU-KRWDZBQOSA-N -1 3 356.474 3.367 20 0 FGADHM Cc1nc(-c2ccco2)ccc1C(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000737464638 598296251 /nfs/dbraw/zinc/29/62/51/598296251.db2.gz RNYXNCGHSBWOEQ-UHFFFAOYSA-N -1 3 374.404 3.102 20 0 FGADHM Cc1nc(-c2ccco2)ccc1C(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000737464638 598296253 /nfs/dbraw/zinc/29/62/53/598296253.db2.gz RNYXNCGHSBWOEQ-UHFFFAOYSA-N -1 3 374.404 3.102 20 0 FGADHM CC(C)(C)OCc1cccc(CNC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735639448 598296897 /nfs/dbraw/zinc/29/68/97/598296897.db2.gz HORCZSHJTCTBJF-UHFFFAOYSA-N -1 3 365.437 3.112 20 0 FGADHM CC(C)(C)OCc1cccc(CNC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735639448 598296898 /nfs/dbraw/zinc/29/68/98/598296898.db2.gz HORCZSHJTCTBJF-UHFFFAOYSA-N -1 3 365.437 3.112 20 0 FGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)c1cc2ccccc2s1 ZINC000738100875 598303879 /nfs/dbraw/zinc/30/38/79/598303879.db2.gz ATMSMXKQUCQDIC-UHFFFAOYSA-N -1 3 353.382 3.151 20 0 FGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)c1cc2ccccc2s1 ZINC000738100875 598303880 /nfs/dbraw/zinc/30/38/80/598303880.db2.gz ATMSMXKQUCQDIC-UHFFFAOYSA-N -1 3 353.382 3.151 20 0 FGADHM CC(C)CCc1noc(CSCc2cc(-c3nnn[n-]3)ccc2F)n1 ZINC000735818645 598313180 /nfs/dbraw/zinc/31/31/80/598313180.db2.gz PUNZHCIVRDZXHG-UHFFFAOYSA-N -1 3 362.434 3.411 20 0 FGADHM CC(C)CCc1noc(CSCc2cc(-c3nn[n-]n3)ccc2F)n1 ZINC000735818645 598313182 /nfs/dbraw/zinc/31/31/82/598313182.db2.gz PUNZHCIVRDZXHG-UHFFFAOYSA-N -1 3 362.434 3.411 20 0 FGADHM Fc1cc(-c2nnn[n-]2)ccc1CNCc1csc(-c2ccco2)n1 ZINC000737639336 598315216 /nfs/dbraw/zinc/31/52/16/598315216.db2.gz OXMWBKVEJQOWDG-UHFFFAOYSA-N -1 3 356.386 3.012 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1CNCc1csc(-c2ccco2)n1 ZINC000737639336 598315218 /nfs/dbraw/zinc/31/52/18/598315218.db2.gz OXMWBKVEJQOWDG-UHFFFAOYSA-N -1 3 356.386 3.012 20 0 FGADHM COc1cccc(CNCc2ccc(-c3nnn[n-]3)cc2F)c1OC(C)C ZINC000737132896 598316218 /nfs/dbraw/zinc/31/62/18/598316218.db2.gz UPYDNMMYAWBHIU-UHFFFAOYSA-N -1 3 371.416 3.091 20 0 FGADHM COc1cccc(CNCc2ccc(-c3nn[n-]n3)cc2F)c1OC(C)C ZINC000737132896 598316219 /nfs/dbraw/zinc/31/62/19/598316219.db2.gz UPYDNMMYAWBHIU-UHFFFAOYSA-N -1 3 371.416 3.091 20 0 FGADHM CC(C)Oc1ccc(NC(=S)Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735913841 598316273 /nfs/dbraw/zinc/31/62/73/598316273.db2.gz SJEFABMGLUVEEV-UHFFFAOYSA-N -1 3 354.439 3.463 20 0 FGADHM CC(C)Oc1ccc(NC(=S)Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735913841 598316275 /nfs/dbraw/zinc/31/62/75/598316275.db2.gz SJEFABMGLUVEEV-UHFFFAOYSA-N -1 3 354.439 3.463 20 0 FGADHM Cc1ccc([C@@H](C)NC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)o1 ZINC000737320880 598318924 /nfs/dbraw/zinc/31/89/24/598318924.db2.gz PZPAWKCVSADZTG-SECBINFHSA-N -1 3 362.846 3.469 20 0 FGADHM Cc1ccc([C@@H](C)NC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)o1 ZINC000737320880 598318925 /nfs/dbraw/zinc/31/89/25/598318925.db2.gz PZPAWKCVSADZTG-SECBINFHSA-N -1 3 362.846 3.469 20 0 FGADHM Cc1cc(C)c(NC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)c(C)c1 ZINC000737248648 598322412 /nfs/dbraw/zinc/32/24/12/598322412.db2.gz ISSCTBKGIRISIH-UHFFFAOYSA-N -1 3 354.389 3.253 20 0 FGADHM Cc1cc(C)c(NC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)c(C)c1 ZINC000737248648 598322414 /nfs/dbraw/zinc/32/24/14/598322414.db2.gz ISSCTBKGIRISIH-UHFFFAOYSA-N -1 3 354.389 3.253 20 0 FGADHM CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000735595503 598325344 /nfs/dbraw/zinc/32/53/44/598325344.db2.gz GDHSWIOZHGRLLQ-GDBMZVCRSA-N -1 3 374.464 3.410 20 0 FGADHM CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000735595503 598325345 /nfs/dbraw/zinc/32/53/45/598325345.db2.gz GDHSWIOZHGRLLQ-GDBMZVCRSA-N -1 3 374.464 3.410 20 0 FGADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N(C)c1ccccc1F ZINC000735735319 598327883 /nfs/dbraw/zinc/32/78/83/598327883.db2.gz RODIMNWWDORTET-QGZVFWFLSA-N -1 3 369.400 3.072 20 0 FGADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N(C)c1ccccc1F ZINC000735735319 598327885 /nfs/dbraw/zinc/32/78/85/598327885.db2.gz RODIMNWWDORTET-QGZVFWFLSA-N -1 3 369.400 3.072 20 0 FGADHM O=C(c1sccc1-c1nnn[n-]1)N1CCCC[C@@H]1Cc1ccccc1 ZINC000738288321 598332891 /nfs/dbraw/zinc/33/28/91/598332891.db2.gz BRJWKASNJLHUIJ-CQSZACIVSA-N -1 3 353.451 3.166 20 0 FGADHM O=C(c1sccc1-c1nn[n-]n1)N1CCCC[C@@H]1Cc1ccccc1 ZINC000738288321 598332893 /nfs/dbraw/zinc/33/28/93/598332893.db2.gz BRJWKASNJLHUIJ-CQSZACIVSA-N -1 3 353.451 3.166 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccccc1C(C)(C)C ZINC000821765656 607351209 /nfs/dbraw/zinc/35/12/09/607351209.db2.gz IVQBBSVTHLUKGM-UHFFFAOYSA-N -1 3 351.410 3.425 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccccc1C(C)(C)C ZINC000821765656 607351210 /nfs/dbraw/zinc/35/12/10/607351210.db2.gz IVQBBSVTHLUKGM-UHFFFAOYSA-N -1 3 351.410 3.425 20 0 FGADHM O=C(OCc1cc(-c2nnn[n-]2)ccc1F)[C@H]1CCCc2sccc21 ZINC000823413674 607353482 /nfs/dbraw/zinc/35/34/82/607353482.db2.gz LVPFGSMWSQYAHJ-ZDUSSCGKSA-N -1 3 358.398 3.231 20 0 FGADHM O=C(OCc1cc(-c2nn[n-]n2)ccc1F)[C@H]1CCCc2sccc21 ZINC000823413674 607353484 /nfs/dbraw/zinc/35/34/84/607353484.db2.gz LVPFGSMWSQYAHJ-ZDUSSCGKSA-N -1 3 358.398 3.231 20 0 FGADHM Cc1cccc(N(CC(=O)Nc2sccc2-c2nnn[n-]2)C(C)C)c1 ZINC000737396810 598355008 /nfs/dbraw/zinc/35/50/08/598355008.db2.gz RWZZUCBJPXMMFT-UHFFFAOYSA-N -1 3 356.455 3.090 20 0 FGADHM Cc1cccc(N(CC(=O)Nc2sccc2-c2nn[n-]n2)C(C)C)c1 ZINC000737396810 598355010 /nfs/dbraw/zinc/35/50/10/598355010.db2.gz RWZZUCBJPXMMFT-UHFFFAOYSA-N -1 3 356.455 3.090 20 0 FGADHM O[C@H](COc1ccc(-c2nn[n-]n2)cc1)CSc1ccc(Cl)cc1 ZINC000738388295 598364060 /nfs/dbraw/zinc/36/40/60/598364060.db2.gz RZETWMQGDSMIFX-CYBMUJFWSA-N -1 3 362.842 3.052 20 0 FGADHM C[C@H](CC(=O)OCCOc1ccc(-c2nn[n-]n2)cc1)c1ccccc1F ZINC000735977299 598372108 /nfs/dbraw/zinc/37/21/08/598372108.db2.gz NKYWFCVEKMFTRK-CYBMUJFWSA-N -1 3 370.384 3.122 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC(c2nccs2)CC1 ZINC000737290142 598372478 /nfs/dbraw/zinc/37/24/78/598372478.db2.gz CEGILIADQPNQKZ-UHFFFAOYSA-N -1 3 369.454 3.043 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC(c2nccs2)CC1 ZINC000737290142 598372480 /nfs/dbraw/zinc/37/24/80/598372480.db2.gz CEGILIADQPNQKZ-UHFFFAOYSA-N -1 3 369.454 3.043 20 0 FGADHM O=C(Nc1cc(F)ccc1N1CCCCC1)c1sccc1-c1nnn[n-]1 ZINC000738145537 598382348 /nfs/dbraw/zinc/38/23/48/598382348.db2.gz SPKMPWJBNLCEDX-UHFFFAOYSA-N -1 3 372.429 3.310 20 0 FGADHM O=C(Nc1cc(F)ccc1N1CCCCC1)c1sccc1-c1nn[n-]n1 ZINC000738145537 598382350 /nfs/dbraw/zinc/38/23/50/598382350.db2.gz SPKMPWJBNLCEDX-UHFFFAOYSA-N -1 3 372.429 3.310 20 0 FGADHM CCN(C(=O)CNc1ccc(-c2nn[n-]n2)cc1)[C@H](C)c1ccc(F)cc1 ZINC000736505682 598382666 /nfs/dbraw/zinc/38/26/66/598382666.db2.gz QWFQKUXZVPWOKL-CYBMUJFWSA-N -1 3 368.416 3.027 20 0 FGADHM C[C@@H](OCCCNc1ncc(-c2nnn[n-]2)cc1Cl)c1ccccc1 ZINC000736164851 598387775 /nfs/dbraw/zinc/38/77/75/598387775.db2.gz PLLKFMMJXIJNAN-GFCCVEGCSA-N -1 3 358.833 3.495 20 0 FGADHM C[C@@H](OCCCNc1ncc(-c2nn[n-]n2)cc1Cl)c1ccccc1 ZINC000736164851 598387777 /nfs/dbraw/zinc/38/77/77/598387777.db2.gz PLLKFMMJXIJNAN-GFCCVEGCSA-N -1 3 358.833 3.495 20 0 FGADHM COc1ccccc1C(C)(C)CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC000737137080 598392679 /nfs/dbraw/zinc/39/26/79/598392679.db2.gz BTRFGYCJVQSQAY-UHFFFAOYSA-N -1 3 358.833 3.313 20 0 FGADHM COc1ccccc1C(C)(C)CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC000737137080 598392681 /nfs/dbraw/zinc/39/26/81/598392681.db2.gz BTRFGYCJVQSQAY-UHFFFAOYSA-N -1 3 358.833 3.313 20 0 FGADHM Cc1cccc(N(C)C(=O)[C@@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)c1 ZINC000737397029 598418672 /nfs/dbraw/zinc/41/86/72/598418672.db2.gz RHZQPHBYUHZJIF-SFHVURJKSA-N -1 3 365.437 3.242 20 0 FGADHM Cc1cccc(N(C)C(=O)[C@@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)c1 ZINC000737397029 598418673 /nfs/dbraw/zinc/41/86/73/598418673.db2.gz RHZQPHBYUHZJIF-SFHVURJKSA-N -1 3 365.437 3.242 20 0 FGADHM O=C1OC(c2c(F)cccc2Cl)=NC1=Cc1cccc(-c2nnn[n-]2)c1 ZINC000738317691 598420365 /nfs/dbraw/zinc/42/03/65/598420365.db2.gz FVPGDKULTMWZNP-JYRVWZFOSA-N -1 3 369.743 3.004 20 0 FGADHM O=C1OC(c2c(F)cccc2Cl)=NC1=Cc1cccc(-c2nn[n-]n2)c1 ZINC000738317691 598420367 /nfs/dbraw/zinc/42/03/67/598420367.db2.gz FVPGDKULTMWZNP-JYRVWZFOSA-N -1 3 369.743 3.004 20 0 FGADHM O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1ccc(-c2nnn[n-]2)cn1 ZINC000738174573 598437696 /nfs/dbraw/zinc/43/76/96/598437696.db2.gz KMVYVOQLENFYCU-UHFFFAOYSA-N -1 3 354.373 3.085 20 0 FGADHM O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1ccc(-c2nn[n-]n2)cn1 ZINC000738174573 598437698 /nfs/dbraw/zinc/43/76/98/598437698.db2.gz KMVYVOQLENFYCU-UHFFFAOYSA-N -1 3 354.373 3.085 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H](CC)c1c(C)noc1C ZINC000736636718 598443332 /nfs/dbraw/zinc/44/33/32/598443332.db2.gz QYYXDVUGQMZTLE-CYBMUJFWSA-N -1 3 370.413 3.003 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H](CC)c1c(C)noc1C ZINC000736636718 598443333 /nfs/dbraw/zinc/44/33/33/598443333.db2.gz QYYXDVUGQMZTLE-CYBMUJFWSA-N -1 3 370.413 3.003 20 0 FGADHM Cc1ccc(Oc2ccc(NC(=O)c3ccc(-c4nnn[n-]4)cn3)cn2)cc1 ZINC000737366163 598444916 /nfs/dbraw/zinc/44/49/16/598444916.db2.gz PXECMSUNYAMPEN-UHFFFAOYSA-N -1 3 373.376 3.010 20 0 FGADHM Cc1ccc(Oc2ccc(NC(=O)c3ccc(-c4nn[n-]n4)cn3)cn2)cc1 ZINC000737366163 598444918 /nfs/dbraw/zinc/44/49/18/598444918.db2.gz PXECMSUNYAMPEN-UHFFFAOYSA-N -1 3 373.376 3.010 20 0 FGADHM CC[C@@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1nc2ccccc2[nH]1 ZINC000736355419 598446393 /nfs/dbraw/zinc/44/63/93/598446393.db2.gz HYURTGZAVBDXKF-QYMJWVLRSA-N -1 3 373.420 3.024 20 0 FGADHM CC[C@@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1nc2ccccc2[nH]1 ZINC000736355419 598446395 /nfs/dbraw/zinc/44/63/95/598446395.db2.gz HYURTGZAVBDXKF-QYMJWVLRSA-N -1 3 373.420 3.024 20 0 FGADHM O=C(NCC1(c2ccc(Cl)cc2)CC1)c1sccc1-c1nnn[n-]1 ZINC000738037730 598448512 /nfs/dbraw/zinc/44/85/12/598448512.db2.gz FEAFETULIUZCRZ-UHFFFAOYSA-N -1 3 359.842 3.043 20 0 FGADHM O=C(NCC1(c2ccc(Cl)cc2)CC1)c1sccc1-c1nn[n-]n1 ZINC000738037730 598448514 /nfs/dbraw/zinc/44/85/14/598448514.db2.gz FEAFETULIUZCRZ-UHFFFAOYSA-N -1 3 359.842 3.043 20 0 FGADHM C[C@@H](NC(=O)N(C)C[C@@H](C)c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000735993265 598468625 /nfs/dbraw/zinc/46/86/25/598468625.db2.gz CJQOZZXXTQGCFW-HUUCEWRRSA-N -1 3 364.453 3.373 20 0 FGADHM C[C@@H](NC(=O)N(C)C[C@@H](C)c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000735993265 598468627 /nfs/dbraw/zinc/46/86/27/598468627.db2.gz CJQOZZXXTQGCFW-HUUCEWRRSA-N -1 3 364.453 3.373 20 0 FGADHM CC(C)(NC(=O)NCc1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)cc1 ZINC000735671862 598477860 /nfs/dbraw/zinc/47/78/60/598477860.db2.gz OVNIGAUGMWQMHL-UHFFFAOYSA-N -1 3 370.844 3.255 20 0 FGADHM CC(C)(NC(=O)NCc1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)cc1 ZINC000735671862 598477862 /nfs/dbraw/zinc/47/78/62/598477862.db2.gz OVNIGAUGMWQMHL-UHFFFAOYSA-N -1 3 370.844 3.255 20 0 FGADHM C[C@H](OC(=O)CCCOc1ccccc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000736148326 598483096 /nfs/dbraw/zinc/48/30/96/598483096.db2.gz GYAHLANCFZZONS-ZDUSSCGKSA-N -1 3 370.384 3.469 20 0 FGADHM C[C@H](OC(=O)CCCOc1ccccc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000736148326 598483097 /nfs/dbraw/zinc/48/30/97/598483097.db2.gz GYAHLANCFZZONS-ZDUSSCGKSA-N -1 3 370.384 3.469 20 0 FGADHM COc1cccc([C@H](C)C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000737122534 598483823 /nfs/dbraw/zinc/48/38/23/598483823.db2.gz UNRGIVRMSCXYPU-STQMWFEESA-N -1 3 352.394 3.283 20 0 FGADHM COc1cccc([C@H](C)C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737122534 598483825 /nfs/dbraw/zinc/48/38/25/598483825.db2.gz UNRGIVRMSCXYPU-STQMWFEESA-N -1 3 352.394 3.283 20 0 FGADHM COc1ccc2cc(C(=O)O[C@H](C)c3cccc(-c4nnn[n-]4)c3)[nH]c2c1 ZINC000737119092 598489690 /nfs/dbraw/zinc/48/96/90/598489690.db2.gz NHKAEEIXXFRTKC-LLVKDONJSA-N -1 3 363.377 3.275 20 0 FGADHM COc1ccc2cc(C(=O)O[C@H](C)c3cccc(-c4nn[n-]n4)c3)[nH]c2c1 ZINC000737119092 598489691 /nfs/dbraw/zinc/48/96/91/598489691.db2.gz NHKAEEIXXFRTKC-LLVKDONJSA-N -1 3 363.377 3.275 20 0 FGADHM COc1cccc(CCC(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000737132110 598490629 /nfs/dbraw/zinc/49/06/29/598490629.db2.gz VYGDEBHIAOOBIY-ZDUSSCGKSA-N -1 3 352.394 3.112 20 0 FGADHM COc1cccc(CCC(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737132110 598490631 /nfs/dbraw/zinc/49/06/31/598490631.db2.gz VYGDEBHIAOOBIY-ZDUSSCGKSA-N -1 3 352.394 3.112 20 0 FGADHM CN(Cc1csc(-c2ccoc2)n1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736818037 598503730 /nfs/dbraw/zinc/50/37/30/598503730.db2.gz LQWXTZGJTVYGCN-UHFFFAOYSA-N -1 3 352.423 3.215 20 0 FGADHM CN(Cc1csc(-c2ccoc2)n1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736818037 598503731 /nfs/dbraw/zinc/50/37/31/598503731.db2.gz LQWXTZGJTVYGCN-UHFFFAOYSA-N -1 3 352.423 3.215 20 0 FGADHM COc1ccc(COCCSCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000737097433 598511237 /nfs/dbraw/zinc/51/12/37/598511237.db2.gz JOTIWHXIBOGCDY-UHFFFAOYSA-N -1 3 374.441 3.464 20 0 FGADHM COc1ccc(COCCSCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000737097433 598511239 /nfs/dbraw/zinc/51/12/39/598511239.db2.gz JOTIWHXIBOGCDY-UHFFFAOYSA-N -1 3 374.441 3.464 20 0 FGADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)OCCCc1c(F)cccc1Cl ZINC000737956063 598543875 /nfs/dbraw/zinc/54/38/75/598543875.db2.gz TXGOWYFQLFUESO-UHFFFAOYSA-N -1 3 374.803 3.378 20 0 FGADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)OCCCc1c(F)cccc1Cl ZINC000737956063 598543876 /nfs/dbraw/zinc/54/38/76/598543876.db2.gz TXGOWYFQLFUESO-UHFFFAOYSA-N -1 3 374.803 3.378 20 0 FGADHM O=C(Nc1ccc(F)cc1C(F)(F)F)c1sccc1-c1nnn[n-]1 ZINC000738165712 598544626 /nfs/dbraw/zinc/54/46/26/598544626.db2.gz MKCKIVWFBDVNCK-UHFFFAOYSA-N -1 3 357.292 3.338 20 0 FGADHM O=C(Nc1ccc(F)cc1C(F)(F)F)c1sccc1-c1nn[n-]n1 ZINC000738165712 598544628 /nfs/dbraw/zinc/54/46/28/598544628.db2.gz MKCKIVWFBDVNCK-UHFFFAOYSA-N -1 3 357.292 3.338 20 0 FGADHM Fc1cc(OCc2csc(Br)c2)ccc1-c1nnn[n-]1 ZINC000737653068 598548292 /nfs/dbraw/zinc/54/82/92/598548292.db2.gz QBEFXXOPQPSEKQ-UHFFFAOYSA-N -1 3 355.192 3.409 20 0 FGADHM Fc1cc(OCc2csc(Br)c2)ccc1-c1nn[n-]n1 ZINC000737653068 598548293 /nfs/dbraw/zinc/54/82/93/598548293.db2.gz QBEFXXOPQPSEKQ-UHFFFAOYSA-N -1 3 355.192 3.409 20 0 FGADHM CC(C)OCCC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735895741 598552905 /nfs/dbraw/zinc/55/29/05/598552905.db2.gz GDGUTLMOQMMBDN-UHFFFAOYSA-N -1 3 367.409 3.413 20 0 FGADHM CC(C)OCCC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735895741 598552906 /nfs/dbraw/zinc/55/29/06/598552906.db2.gz GDGUTLMOQMMBDN-UHFFFAOYSA-N -1 3 367.409 3.413 20 0 FGADHM C[C@H](NC(=O)Nc1ccc(-c2nnn[n-]2)cc1)C(C)(C)c1ccccc1 ZINC000736115870 598553757 /nfs/dbraw/zinc/55/37/57/598553757.db2.gz KRHBDIJPMSTILA-ZDUSSCGKSA-N -1 3 350.426 3.355 20 0 FGADHM C[C@H](NC(=O)Nc1ccc(-c2nn[n-]n2)cc1)C(C)(C)c1ccccc1 ZINC000736115870 598553758 /nfs/dbraw/zinc/55/37/58/598553758.db2.gz KRHBDIJPMSTILA-ZDUSSCGKSA-N -1 3 350.426 3.355 20 0 FGADHM CC[C@@H](OC)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736381155 598554656 /nfs/dbraw/zinc/55/46/56/598554656.db2.gz IHAXLRCQEOZVGB-MRXNPFEDSA-N -1 3 353.382 3.023 20 0 FGADHM CC[C@@H](OC)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736381155 598554658 /nfs/dbraw/zinc/55/46/58/598554658.db2.gz IHAXLRCQEOZVGB-MRXNPFEDSA-N -1 3 353.382 3.023 20 0 FGADHM Cc1cnc(-c2cccc(NC(=O)C=Cc3ccccc3-c3nnn[n-]3)c2)o1 ZINC000737446230 598555316 /nfs/dbraw/zinc/55/53/16/598555316.db2.gz OGCPTTGCADVGDL-KTKRTIGZSA-N -1 3 372.388 3.482 20 0 FGADHM Cc1cnc(-c2cccc(NC(=O)C=Cc3ccccc3-c3nn[n-]n3)c2)o1 ZINC000737446230 598555318 /nfs/dbraw/zinc/55/53/18/598555318.db2.gz OGCPTTGCADVGDL-KTKRTIGZSA-N -1 3 372.388 3.482 20 0 FGADHM Cc1cnc(-c2cccc(NC(=O)C=Cc3ccccc3-c3nnn[n-]3)c2)o1 ZINC000737446231 598555467 /nfs/dbraw/zinc/55/54/67/598555467.db2.gz OGCPTTGCADVGDL-MDZDMXLPSA-N -1 3 372.388 3.482 20 0 FGADHM Cc1cnc(-c2cccc(NC(=O)C=Cc3ccccc3-c3nn[n-]n3)c2)o1 ZINC000737446231 598555468 /nfs/dbraw/zinc/55/54/68/598555468.db2.gz OGCPTTGCADVGDL-MDZDMXLPSA-N -1 3 372.388 3.482 20 0 FGADHM CCc1cc(NC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)n[nH]1 ZINC000736676185 598556045 /nfs/dbraw/zinc/55/60/45/598556045.db2.gz BWRPEBIKROJWRE-UHFFFAOYSA-N -1 3 359.393 3.072 20 0 FGADHM CCc1cc(NC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)n[nH]1 ZINC000736676185 598556046 /nfs/dbraw/zinc/55/60/46/598556046.db2.gz BWRPEBIKROJWRE-UHFFFAOYSA-N -1 3 359.393 3.072 20 0 FGADHM C[C@@H](C(=O)OCCCOc1ccc(-c2nn[n-]n2)cc1)c1ccccc1F ZINC000735571809 598562733 /nfs/dbraw/zinc/56/27/33/598562733.db2.gz KBXUYMSFJQXJEF-CYBMUJFWSA-N -1 3 370.384 3.122 20 0 FGADHM CC(C)COc1ccccc1C(=O)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000735845551 598563241 /nfs/dbraw/zinc/56/32/41/598563241.db2.gz XYAJWAPNERJQOB-UHFFFAOYSA-N -1 3 352.394 3.259 20 0 FGADHM CC(C)COc1ccccc1C(=O)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000735845551 598563242 /nfs/dbraw/zinc/56/32/42/598563242.db2.gz XYAJWAPNERJQOB-UHFFFAOYSA-N -1 3 352.394 3.259 20 0 FGADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)c1ccc(C)c(F)c1 ZINC000737027042 598564253 /nfs/dbraw/zinc/56/42/53/598564253.db2.gz XYWHNQIUGCZNQC-UHFFFAOYSA-N -1 3 362.748 3.195 20 0 FGADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)c1ccc(C)c(F)c1 ZINC000737027042 598564254 /nfs/dbraw/zinc/56/42/54/598564254.db2.gz XYWHNQIUGCZNQC-UHFFFAOYSA-N -1 3 362.748 3.195 20 0 FGADHM O=C(Nc1ccccc1-c1nnn[n-]1)c1cc2ccccc2c(Cl)n1 ZINC000738190960 598573749 /nfs/dbraw/zinc/57/37/49/598573749.db2.gz GBVSIYBPIKNZJU-UHFFFAOYSA-N -1 3 350.769 3.321 20 0 FGADHM O=C(Nc1ccccc1-c1nn[n-]n1)c1cc2ccccc2c(Cl)n1 ZINC000738190960 598573751 /nfs/dbraw/zinc/57/37/51/598573751.db2.gz GBVSIYBPIKNZJU-UHFFFAOYSA-N -1 3 350.769 3.321 20 0 FGADHM CCc1cccc2c(CC(=O)Nc3ccc(F)c(-c4nnn[n-]4)c3)c[nH]c21 ZINC000736694820 598586309 /nfs/dbraw/zinc/58/63/09/598586309.db2.gz DLCFZZBBGUUFOD-UHFFFAOYSA-N -1 3 364.384 3.231 20 0 FGADHM CCc1cccc2c(CC(=O)Nc3ccc(F)c(-c4nn[n-]n4)c3)c[nH]c21 ZINC000736694820 598586311 /nfs/dbraw/zinc/58/63/11/598586311.db2.gz DLCFZZBBGUUFOD-UHFFFAOYSA-N -1 3 364.384 3.231 20 0 FGADHM Cc1cccc(CSCC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000737396372 598591144 /nfs/dbraw/zinc/59/11/44/598591144.db2.gz IVISJEGUIHMTGL-UHFFFAOYSA-N -1 3 357.414 3.186 20 0 FGADHM Cc1cccc(CSCC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000737396372 598591146 /nfs/dbraw/zinc/59/11/46/598591146.db2.gz IVISJEGUIHMTGL-UHFFFAOYSA-N -1 3 357.414 3.186 20 0 FGADHM O=C(CCCc1c[nH]c2ccccc12)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737835555 598592735 /nfs/dbraw/zinc/59/27/35/598592735.db2.gz GDMQMDMXHOBAPA-UHFFFAOYSA-N -1 3 364.384 3.449 20 0 FGADHM O=C(CCCc1c[nH]c2ccccc12)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737835555 598592737 /nfs/dbraw/zinc/59/27/37/598592737.db2.gz GDMQMDMXHOBAPA-UHFFFAOYSA-N -1 3 364.384 3.449 20 0 FGADHM Clc1ccc(-c2noc(CCc3ccc(-c4nn[n-]n4)cc3)n2)cc1 ZINC000737570208 598609360 /nfs/dbraw/zinc/60/93/60/598609360.db2.gz CWCAUYMGZQBGDQ-UHFFFAOYSA-N -1 3 352.785 3.355 20 0 FGADHM Fc1ccc(-c2noc(C=Cc3ccccc3-c3nnn[n-]3)n2)cc1F ZINC000737652597 598610163 /nfs/dbraw/zinc/61/01/63/598610163.db2.gz VIWUUTDGUIDMHU-VURMDHGXSA-N -1 3 352.304 3.365 20 0 FGADHM Fc1ccc(-c2noc(C=Cc3ccccc3-c3nn[n-]n3)n2)cc1F ZINC000737652597 598610165 /nfs/dbraw/zinc/61/01/65/598610165.db2.gz VIWUUTDGUIDMHU-VURMDHGXSA-N -1 3 352.304 3.365 20 0 FGADHM Cc1cccc(C(C)(C)CNC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000737385959 598627972 /nfs/dbraw/zinc/62/79/72/598627972.db2.gz VASDPYDLWCFOMN-UHFFFAOYSA-N -1 3 368.416 3.414 20 0 FGADHM Cc1cccc(C(C)(C)CNC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000737385959 598627974 /nfs/dbraw/zinc/62/79/74/598627974.db2.gz VASDPYDLWCFOMN-UHFFFAOYSA-N -1 3 368.416 3.414 20 0 FGADHM O=C(NCCc1ccc(Cl)cc1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738087566 598631304 /nfs/dbraw/zinc/63/13/04/598631304.db2.gz FWKOFHJMRRDJMK-UHFFFAOYSA-N -1 3 360.780 3.023 20 0 FGADHM O=C(NCCc1ccc(Cl)cc1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738087566 598631306 /nfs/dbraw/zinc/63/13/06/598631306.db2.gz FWKOFHJMRRDJMK-UHFFFAOYSA-N -1 3 360.780 3.023 20 0 FGADHM O=C1[C@@H](Sc2ccc(-c3nnn[n-]3)cc2)CCN1c1ccccc1Cl ZINC000738296598 598641510 /nfs/dbraw/zinc/64/15/10/598641510.db2.gz LROZZXBQSXTDRB-HNNXBMFYSA-N -1 3 371.853 3.418 20 0 FGADHM O=C1[C@@H](Sc2ccc(-c3nn[n-]n3)cc2)CCN1c1ccccc1Cl ZINC000738296598 598641512 /nfs/dbraw/zinc/64/15/12/598641512.db2.gz LROZZXBQSXTDRB-HNNXBMFYSA-N -1 3 371.853 3.418 20 0 FGADHM C[C@H]1Cc2ccccc2[C@H]1NC(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000736300190 598642961 /nfs/dbraw/zinc/64/29/61/598642961.db2.gz VEHOJJVMGACLQT-ZBEGNZNMSA-N -1 3 350.451 3.087 20 0 FGADHM C[C@H]1Cc2ccccc2[C@H]1NC(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000736300190 598642963 /nfs/dbraw/zinc/64/29/63/598642963.db2.gz VEHOJJVMGACLQT-ZBEGNZNMSA-N -1 3 350.451 3.087 20 0 FGADHM CC(C)CCN(C)C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000735803554 598650959 /nfs/dbraw/zinc/65/09/59/598650959.db2.gz HCYHQGPJWXMVGF-UHFFFAOYSA-N -1 3 366.425 3.172 20 0 FGADHM CC(C)CCN(C)C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000735803554 598650960 /nfs/dbraw/zinc/65/09/60/598650960.db2.gz HCYHQGPJWXMVGF-UHFFFAOYSA-N -1 3 366.425 3.172 20 0 FGADHM O=C(Cc1cccnc1)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000737974528 598655657 /nfs/dbraw/zinc/65/56/57/598655657.db2.gz DDUQENSPNLAYHW-UHFFFAOYSA-N -1 3 372.388 3.235 20 0 FGADHM O=C(Cc1cccnc1)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000737974528 598655659 /nfs/dbraw/zinc/65/56/59/598655659.db2.gz DDUQENSPNLAYHW-UHFFFAOYSA-N -1 3 372.388 3.235 20 0 FGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N1CCc2ccc(Cl)cc21 ZINC000737941522 598657252 /nfs/dbraw/zinc/65/72/52/598657252.db2.gz DGQVJBSCLBSDDH-UHFFFAOYSA-N -1 3 371.853 3.202 20 0 FGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N1CCc2ccc(Cl)cc21 ZINC000737941522 598657253 /nfs/dbraw/zinc/65/72/53/598657253.db2.gz DGQVJBSCLBSDDH-UHFFFAOYSA-N -1 3 371.853 3.202 20 0 FGADHM Cn1ccc2c1cccc2NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000737613287 598659264 /nfs/dbraw/zinc/65/92/64/598659264.db2.gz NKDUQEFTNCEROM-UHFFFAOYSA-N -1 3 364.434 3.089 20 0 FGADHM Cn1ccc2c1cccc2NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000737613287 598659266 /nfs/dbraw/zinc/65/92/66/598659266.db2.gz NKDUQEFTNCEROM-UHFFFAOYSA-N -1 3 364.434 3.089 20 0 FGADHM CCC[C@@H]1CCCC[C@@H]1NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736437605 598659557 /nfs/dbraw/zinc/65/95/57/598659557.db2.gz VUEBVJNUYYMBSE-CJNGLKHVSA-N -1 3 359.499 3.434 20 0 FGADHM CCC[C@@H]1CCCC[C@@H]1NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736437605 598659559 /nfs/dbraw/zinc/65/95/59/598659559.db2.gz VUEBVJNUYYMBSE-CJNGLKHVSA-N -1 3 359.499 3.434 20 0 FGADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccc2c(c1)CC(=O)N2C ZINC000736140572 598671849 /nfs/dbraw/zinc/67/18/49/598671849.db2.gz XOCUCNXHOXFXDF-SNVBAGLBSA-N -1 3 368.828 3.212 20 0 FGADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc2c(c1)CC(=O)N2C ZINC000736140572 598671851 /nfs/dbraw/zinc/67/18/51/598671851.db2.gz XOCUCNXHOXFXDF-SNVBAGLBSA-N -1 3 368.828 3.212 20 0 FGADHM c1ccc(-c2nnc3ccc(Sc4ccc(-c5nnn[n-]5)cc4)nn32)cc1 ZINC000738421017 598672861 /nfs/dbraw/zinc/67/28/61/598672861.db2.gz BCNSJTCFGDHHPX-UHFFFAOYSA-N -1 3 372.417 3.123 20 0 FGADHM c1ccc(-c2nnc3ccc(Sc4ccc(-c5nn[n-]n5)cc4)nn32)cc1 ZINC000738421017 598672863 /nfs/dbraw/zinc/67/28/63/598672863.db2.gz BCNSJTCFGDHHPX-UHFFFAOYSA-N -1 3 372.417 3.123 20 0 FGADHM C[C@H](SCc1ccc(F)cc1-c1nnn[n-]1)C(=O)NC1CCCCC1 ZINC000736192420 598696185 /nfs/dbraw/zinc/69/61/85/598696185.db2.gz YVPBBEAWIQWMCD-NSHDSACASA-N -1 3 363.462 3.076 20 0 FGADHM C[C@H](SCc1ccc(F)cc1-c1nn[n-]n1)C(=O)NC1CCCCC1 ZINC000736192420 598696187 /nfs/dbraw/zinc/69/61/87/598696187.db2.gz YVPBBEAWIQWMCD-NSHDSACASA-N -1 3 363.462 3.076 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)C12CC3CC(CC(C3)C1)C2 ZINC000738231432 598703641 /nfs/dbraw/zinc/70/36/41/598703641.db2.gz MQPLFZLRDWPZMT-UHFFFAOYSA-N -1 3 356.401 3.265 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)C12CC3CC(CC(C3)C1)C2 ZINC000738231432 598703642 /nfs/dbraw/zinc/70/36/42/598703642.db2.gz MQPLFZLRDWPZMT-UHFFFAOYSA-N -1 3 356.401 3.265 20 0 FGADHM O=C(CCc1cccc(Cl)c1)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737857182 598706745 /nfs/dbraw/zinc/70/67/45/598706745.db2.gz OADPOVAFUHELOI-UHFFFAOYSA-N -1 3 360.776 3.335 20 0 FGADHM O=C(CCc1cccc(Cl)c1)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737857182 598706747 /nfs/dbraw/zinc/70/67/47/598706747.db2.gz OADPOVAFUHELOI-UHFFFAOYSA-N -1 3 360.776 3.335 20 0 FGADHM CC(C)(C(=O)OCc1ccc(F)cc1-c1nnn[n-]1)c1ccccc1F ZINC000735582976 598710268 /nfs/dbraw/zinc/71/02/68/598710268.db2.gz QIVVCRBIBVJDLJ-UHFFFAOYSA-N -1 3 358.348 3.166 20 0 FGADHM CC(C)(C(=O)OCc1ccc(F)cc1-c1nn[n-]n1)c1ccccc1F ZINC000735582976 598710269 /nfs/dbraw/zinc/71/02/69/598710269.db2.gz QIVVCRBIBVJDLJ-UHFFFAOYSA-N -1 3 358.348 3.166 20 0 FGADHM CSc1ccc(COC(=O)CSc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737191590 598715394 /nfs/dbraw/zinc/71/53/94/598715394.db2.gz SGYNPYQLJLCCPS-UHFFFAOYSA-N -1 3 372.475 3.424 20 0 FGADHM CSc1ccc(COC(=O)CSc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737191590 598715395 /nfs/dbraw/zinc/71/53/95/598715395.db2.gz SGYNPYQLJLCCPS-UHFFFAOYSA-N -1 3 372.475 3.424 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H]1CCCC[C@H]1C(C)C ZINC000737062295 598716829 /nfs/dbraw/zinc/71/68/29/598716829.db2.gz IIWNRHVMLCCVAS-UONOGXRCSA-N -1 3 358.446 3.212 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@H]1CCCC[C@H]1C(C)C ZINC000737062295 598716830 /nfs/dbraw/zinc/71/68/30/598716830.db2.gz IIWNRHVMLCCVAS-UONOGXRCSA-N -1 3 358.446 3.212 20 0 FGADHM COc1ccc([C@H](C)OC(=O)Cc2ccc(-c3nnn[n-]3)cc2)cc1Cl ZINC000737073428 598729426 /nfs/dbraw/zinc/72/94/26/598729426.db2.gz CLEKJOWCAGKIPO-NSHDSACASA-N -1 3 372.812 3.376 20 0 FGADHM COc1ccc([C@H](C)OC(=O)Cc2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC000737073428 598729428 /nfs/dbraw/zinc/72/94/28/598729428.db2.gz CLEKJOWCAGKIPO-NSHDSACASA-N -1 3 372.812 3.376 20 0 FGADHM CCC(=CC(=O)Oc1ccc(-c2nnn[n-]2)cc1OC)c1ccccc1 ZINC000736305379 598734558 /nfs/dbraw/zinc/73/45/58/598734558.db2.gz UXXQGACGTXTZBP-SEYXRHQNSA-N -1 3 350.378 3.274 20 0 FGADHM CCC(=CC(=O)Oc1ccc(-c2nn[n-]n2)cc1OC)c1ccccc1 ZINC000736305379 598734560 /nfs/dbraw/zinc/73/45/60/598734560.db2.gz UXXQGACGTXTZBP-SEYXRHQNSA-N -1 3 350.378 3.274 20 0 FGADHM Cc1cccc2[nH]cc(CC(=O)N[C@@H](C)c3ccc(-c4nnn[n-]4)cc3)c21 ZINC000737409014 598736924 /nfs/dbraw/zinc/73/69/24/598736924.db2.gz PKXYTFFZPPSHGD-ZDUSSCGKSA-N -1 3 360.421 3.076 20 0 FGADHM Cc1cccc2[nH]cc(CC(=O)N[C@@H](C)c3ccc(-c4nn[n-]n4)cc3)c21 ZINC000737409014 598736926 /nfs/dbraw/zinc/73/69/26/598736926.db2.gz PKXYTFFZPPSHGD-ZDUSSCGKSA-N -1 3 360.421 3.076 20 0 FGADHM CC(C)[C@@H]1CCC[C@H](NC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000735746994 598747739 /nfs/dbraw/zinc/74/77/39/598747739.db2.gz NYBPIYLSQXJYGT-SJORKVTESA-N -1 3 373.526 3.431 20 0 FGADHM CC(C)[C@@H]1CCC[C@H](NC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000735746994 598747741 /nfs/dbraw/zinc/74/77/41/598747741.db2.gz NYBPIYLSQXJYGT-SJORKVTESA-N -1 3 373.526 3.431 20 0 FGADHM CC(C)[C@H]1CCC[C@@H](NC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000735746991 598747922 /nfs/dbraw/zinc/74/79/22/598747922.db2.gz NYBPIYLSQXJYGT-DLBZAZTESA-N -1 3 373.526 3.431 20 0 FGADHM CC(C)[C@H]1CCC[C@@H](NC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000735746991 598747923 /nfs/dbraw/zinc/74/79/23/598747923.db2.gz NYBPIYLSQXJYGT-DLBZAZTESA-N -1 3 373.526 3.431 20 0 FGADHM Cc1ccccc1[C@@H](NC(=O)CNc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000737421304 598755021 /nfs/dbraw/zinc/75/50/21/598755021.db2.gz LCDUOQJBROXLFY-IBGZPJMESA-N -1 3 364.453 3.101 20 0 FGADHM CCN(C(=O)C=Cc1cnc(C)s1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736503700 598762842 /nfs/dbraw/zinc/76/28/42/598762842.db2.gz ZTJWWJRRYWLKDL-ZWLSGLHFSA-N -1 3 368.466 3.255 20 0 FGADHM CCN(C(=O)C=Cc1cnc(C)s1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736503700 598762844 /nfs/dbraw/zinc/76/28/44/598762844.db2.gz ZTJWWJRRYWLKDL-ZWLSGLHFSA-N -1 3 368.466 3.255 20 0 FGADHM CSc1ccc(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)o1 ZINC000737192048 598763482 /nfs/dbraw/zinc/76/34/82/598763482.db2.gz GZEQNXOXEFKZAV-UHFFFAOYSA-N -1 3 357.439 3.232 20 0 FGADHM CSc1ccc(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)o1 ZINC000737192048 598763484 /nfs/dbraw/zinc/76/34/84/598763484.db2.gz GZEQNXOXEFKZAV-UHFFFAOYSA-N -1 3 357.439 3.232 20 0 FGADHM Cc1ncc(C=CC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(C)C)s1 ZINC000737489897 598763800 /nfs/dbraw/zinc/76/38/00/598763800.db2.gz NPAISLVHBVETHL-ALCCZGGFSA-N -1 3 370.438 3.071 20 0 FGADHM Cc1ncc(C=CC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(C)C)s1 ZINC000737489897 598763801 /nfs/dbraw/zinc/76/38/01/598763801.db2.gz NPAISLVHBVETHL-ALCCZGGFSA-N -1 3 370.438 3.071 20 0 FGADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NC[C@@H]1CC1(C)C ZINC000735830473 598778497 /nfs/dbraw/zinc/77/84/97/598778497.db2.gz GFKZMRJHJVXOLJ-INIZCTEOSA-N -1 3 356.474 3.080 20 0 FGADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@@H]1CC1(C)C ZINC000735830473 598778499 /nfs/dbraw/zinc/77/84/99/598778499.db2.gz GFKZMRJHJVXOLJ-INIZCTEOSA-N -1 3 356.474 3.080 20 0 FGADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NC[C@H]1CC1(C)C ZINC000735830474 598778521 /nfs/dbraw/zinc/77/85/21/598778521.db2.gz GFKZMRJHJVXOLJ-MRXNPFEDSA-N -1 3 356.474 3.080 20 0 FGADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@H]1CC1(C)C ZINC000735830474 598778523 /nfs/dbraw/zinc/77/85/23/598778523.db2.gz GFKZMRJHJVXOLJ-MRXNPFEDSA-N -1 3 356.474 3.080 20 0 FGADHM CC[C@@H](Cc1ccccc1)C(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000736348705 598779437 /nfs/dbraw/zinc/77/94/37/598779437.db2.gz BMEGKLOAKSZGGU-AWEZNQCLSA-N -1 3 354.385 3.318 20 0 FGADHM CC[C@@H](Cc1ccccc1)C(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000736348705 598779438 /nfs/dbraw/zinc/77/94/38/598779438.db2.gz BMEGKLOAKSZGGU-AWEZNQCLSA-N -1 3 354.385 3.318 20 0 FGADHM Cc1ccccc1N1CCN(c2ccc(Cl)cc2-c2nnn[n-]2)CC1 ZINC000737436319 598792019 /nfs/dbraw/zinc/79/20/19/598792019.db2.gz RPWBDYRDAJPDTL-UHFFFAOYSA-N -1 3 354.845 3.155 20 0 FGADHM Cc1ccccc1N1CCN(c2ccc(Cl)cc2-c2nn[n-]n2)CC1 ZINC000737436319 598792020 /nfs/dbraw/zinc/79/20/20/598792020.db2.gz RPWBDYRDAJPDTL-UHFFFAOYSA-N -1 3 354.845 3.155 20 0 FGADHM CCC(=O)Nc1cccc(CNc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000736309795 598792984 /nfs/dbraw/zinc/79/29/84/598792984.db2.gz RDVQIMLOBFGPIR-UHFFFAOYSA-N -1 3 356.817 3.481 20 0 FGADHM CCC(=O)Nc1cccc(CNc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000736309795 598792985 /nfs/dbraw/zinc/79/29/85/598792985.db2.gz RDVQIMLOBFGPIR-UHFFFAOYSA-N -1 3 356.817 3.481 20 0 FGADHM COc1cc(CN(C)c2ccc(Cl)cc2-c2nnn[n-]2)cc(OC)c1 ZINC000737045699 598794089 /nfs/dbraw/zinc/79/40/89/598794089.db2.gz LYQIJHHWNSNOLH-UHFFFAOYSA-N -1 3 359.817 3.174 20 0 FGADHM COc1cc(CN(C)c2ccc(Cl)cc2-c2nn[n-]n2)cc(OC)c1 ZINC000737045699 598794090 /nfs/dbraw/zinc/79/40/90/598794090.db2.gz LYQIJHHWNSNOLH-UHFFFAOYSA-N -1 3 359.817 3.174 20 0 FGADHM C[C@@H](c1cccc(Nc2cccc(F)c2-c2nnn[n-]2)c1)N1CCOCC1 ZINC000736197902 598796618 /nfs/dbraw/zinc/79/66/18/598796618.db2.gz DDDWDOYUCFVFAN-ZDUSSCGKSA-N -1 3 368.416 3.143 20 0 FGADHM C[C@@H](c1cccc(Nc2cccc(F)c2-c2nn[n-]n2)c1)N1CCOCC1 ZINC000736197902 598796620 /nfs/dbraw/zinc/79/66/20/598796620.db2.gz DDDWDOYUCFVFAN-ZDUSSCGKSA-N -1 3 368.416 3.143 20 0 FGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)N[C@@H](c1ccccc1)C1CCC1 ZINC000738101142 598801182 /nfs/dbraw/zinc/80/11/82/598801182.db2.gz FTEOUCOIHRDSLO-SFHVURJKSA-N -1 3 362.437 3.207 20 0 FGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)N[C@@H](c1ccccc1)C1CCC1 ZINC000738101142 598801184 /nfs/dbraw/zinc/80/11/84/598801184.db2.gz FTEOUCOIHRDSLO-SFHVURJKSA-N -1 3 362.437 3.207 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)CO[C@@H]1CCCC[C@H]1C ZINC000736479533 598802433 /nfs/dbraw/zinc/80/24/33/598802433.db2.gz LKCNIMWAGQADIZ-CRAIPNDOSA-N -1 3 371.485 3.201 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)CO[C@@H]1CCCC[C@H]1C ZINC000736479533 598802435 /nfs/dbraw/zinc/80/24/35/598802435.db2.gz LKCNIMWAGQADIZ-CRAIPNDOSA-N -1 3 371.485 3.201 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)CO[C@H]1CCCC[C@@H]1C ZINC000736479538 598802441 /nfs/dbraw/zinc/80/24/41/598802441.db2.gz LKCNIMWAGQADIZ-YJBOKZPZSA-N -1 3 371.485 3.201 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)CO[C@H]1CCCC[C@@H]1C ZINC000736479538 598802442 /nfs/dbraw/zinc/80/24/42/598802442.db2.gz LKCNIMWAGQADIZ-YJBOKZPZSA-N -1 3 371.485 3.201 20 0 FGADHM CCN(C(=O)CCCc1ccccn1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736505331 598808440 /nfs/dbraw/zinc/80/84/40/598808440.db2.gz LWHACDOBGXSNHC-HNNXBMFYSA-N -1 3 364.453 3.194 20 0 FGADHM CCN(C(=O)CCCc1ccccn1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736505331 598808441 /nfs/dbraw/zinc/80/84/41/598808441.db2.gz LWHACDOBGXSNHC-HNNXBMFYSA-N -1 3 364.453 3.194 20 0 FGADHM O=C(CCCCCc1ccc(O)cc1)OCc1cccc(-c2nnn[n-]2)c1 ZINC000737824226 598816217 /nfs/dbraw/zinc/81/62/17/598816217.db2.gz GBGHMUJZZPKVAK-UHFFFAOYSA-N -1 3 366.421 3.419 20 0 FGADHM O=C(CCCCCc1ccc(O)cc1)OCc1cccc(-c2nn[n-]n2)c1 ZINC000737824226 598816218 /nfs/dbraw/zinc/81/62/18/598816218.db2.gz GBGHMUJZZPKVAK-UHFFFAOYSA-N -1 3 366.421 3.419 20 0 FGADHM Cc1ccccc1-c1csc(=O)n1Cc1ccc(F)cc1-c1nnn[n-]1 ZINC000737416578 598819118 /nfs/dbraw/zinc/81/91/18/598819118.db2.gz CQZGEOUHPLFHFT-UHFFFAOYSA-N -1 3 367.409 3.253 20 0 FGADHM Cc1ccccc1-c1csc(=O)n1Cc1ccc(F)cc1-c1nn[n-]n1 ZINC000737416578 598819119 /nfs/dbraw/zinc/81/91/19/598819119.db2.gz CQZGEOUHPLFHFT-UHFFFAOYSA-N -1 3 367.409 3.253 20 0 FGADHM CN(C(=O)CCSc1ccccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000736733600 599305453 /nfs/dbraw/zinc/30/54/53/599305453.db2.gz WEWBPTVRVDMRBV-UHFFFAOYSA-N -1 3 357.414 3.151 20 0 FGADHM CN(C(=O)CCSc1ccccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000736733600 599305455 /nfs/dbraw/zinc/30/54/55/599305455.db2.gz WEWBPTVRVDMRBV-UHFFFAOYSA-N -1 3 357.414 3.151 20 0 FGADHM C[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCO[C@@H](c2ccccc2F)C1 ZINC000736200014 599313910 /nfs/dbraw/zinc/31/39/10/599313910.db2.gz QSSIMHDICHYIDA-FZKQIMNGSA-N -1 3 353.401 3.140 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H]1C[C@]12CCCc1ccccc12 ZINC000822216008 599319566 /nfs/dbraw/zinc/31/95/66/599319566.db2.gz BOASVCDBNZBYKH-UWJYYQICSA-N -1 3 359.433 3.408 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1C[C@]12CCCc1ccccc12 ZINC000822216008 599319571 /nfs/dbraw/zinc/31/95/71/599319571.db2.gz BOASVCDBNZBYKH-UWJYYQICSA-N -1 3 359.433 3.408 20 0 FGADHM Cc1nc2ccccc2n1CCNc1cccc(Cl)c1-c1nnn[n-]1 ZINC000822462680 599320173 /nfs/dbraw/zinc/32/01/73/599320173.db2.gz LTMBGFKEDKVWHO-UHFFFAOYSA-N -1 3 353.817 3.290 20 0 FGADHM Cc1nc2ccccc2n1CCNc1cccc(Cl)c1-c1nn[n-]n1 ZINC000822462680 599320176 /nfs/dbraw/zinc/32/01/76/599320176.db2.gz LTMBGFKEDKVWHO-UHFFFAOYSA-N -1 3 353.817 3.290 20 0 FGADHM C[C@@H]1CN(Cn2ccc(-c3ccc(-c4nnn[n-]4)cc3)n2)[C@@H]1c1ccccc1 ZINC000820769021 599328923 /nfs/dbraw/zinc/32/89/23/599328923.db2.gz QLWJSIJIORIQDR-QRWLVFNGSA-N -1 3 371.448 3.381 20 0 FGADHM C[C@@H]1CN(Cn2ccc(-c3ccc(-c4nn[n-]n4)cc3)n2)[C@@H]1c1ccccc1 ZINC000820769021 599328927 /nfs/dbraw/zinc/32/89/27/599328927.db2.gz QLWJSIJIORIQDR-QRWLVFNGSA-N -1 3 371.448 3.381 20 0 FGADHM COc1ccccc1NC(=O)CS[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737152069 599331003 /nfs/dbraw/zinc/33/10/03/599331003.db2.gz MPBMEQLKKOHAMA-GFCCVEGCSA-N -1 3 369.450 3.308 20 0 FGADHM COc1ccccc1NC(=O)CS[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737152069 599331006 /nfs/dbraw/zinc/33/10/06/599331006.db2.gz MPBMEQLKKOHAMA-GFCCVEGCSA-N -1 3 369.450 3.308 20 0 FGADHM Cc1cccn2cc(CNc3ccc(-c4nnn[n-]4)c(C(F)(F)F)c3)nc12 ZINC000737436392 599333460 /nfs/dbraw/zinc/33/34/60/599333460.db2.gz SGVJTJDHSSZIHY-UHFFFAOYSA-N -1 3 373.342 3.454 20 0 FGADHM Cc1cccn2cc(CNc3ccc(-c4nn[n-]n4)c(C(F)(F)F)c3)nc12 ZINC000737436392 599333462 /nfs/dbraw/zinc/33/34/62/599333462.db2.gz SGVJTJDHSSZIHY-UHFFFAOYSA-N -1 3 373.342 3.454 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N[C@@H]1CCc2c1cccc2O ZINC000738152488 599353207 /nfs/dbraw/zinc/35/32/07/599353207.db2.gz WEELYFZQCLSHJK-CQSZACIVSA-N -1 3 370.800 3.035 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N[C@@H]1CCc2c1cccc2O ZINC000738152488 599353208 /nfs/dbraw/zinc/35/32/08/599353208.db2.gz WEELYFZQCLSHJK-CQSZACIVSA-N -1 3 370.800 3.035 20 0 FGADHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(NCCCC(F)(F)F)c2c1 ZINC000822195565 599357578 /nfs/dbraw/zinc/35/75/78/599357578.db2.gz WPUPPVMCKJKHFR-UHFFFAOYSA-N -1 3 350.348 3.208 20 0 FGADHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(NCCCC(F)(F)F)c2c1 ZINC000822195565 599357580 /nfs/dbraw/zinc/35/75/80/599357580.db2.gz WPUPPVMCKJKHFR-UHFFFAOYSA-N -1 3 350.348 3.208 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1CNc1cc(F)ccc1OC(C)C ZINC000821733034 607371354 /nfs/dbraw/zinc/37/13/54/607371354.db2.gz YRXWGBBOYUIXTR-UHFFFAOYSA-N -1 3 357.389 3.414 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1CNc1cc(F)ccc1OC(C)C ZINC000821733034 607371355 /nfs/dbraw/zinc/37/13/55/607371355.db2.gz YRXWGBBOYUIXTR-UHFFFAOYSA-N -1 3 357.389 3.414 20 0 FGADHM C[C@@H](NCc1coc(-c2cccs2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820438268 599365181 /nfs/dbraw/zinc/36/51/81/599365181.db2.gz LUKCJSFXTNRAKH-LLVKDONJSA-N -1 3 352.423 3.434 20 0 FGADHM COCCOc1ccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1F ZINC000821693713 599371880 /nfs/dbraw/zinc/37/18/80/599371880.db2.gz KLPGJWGIYZLICZ-LBPRGKRZSA-N -1 3 357.389 3.204 20 0 FGADHM COCCOc1ccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000821693713 599371882 /nfs/dbraw/zinc/37/18/82/599371882.db2.gz KLPGJWGIYZLICZ-LBPRGKRZSA-N -1 3 357.389 3.204 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)COc1cccc(Cl)c1C ZINC000737291732 599374537 /nfs/dbraw/zinc/37/45/37/599374537.db2.gz OCRKIRYNZKIQJR-UHFFFAOYSA-N -1 3 357.801 3.154 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)COc1cccc(Cl)c1C ZINC000737291732 599374539 /nfs/dbraw/zinc/37/45/39/599374539.db2.gz OCRKIRYNZKIQJR-UHFFFAOYSA-N -1 3 357.801 3.154 20 0 FGADHM C[C@H](CCC(C)(C)C)NC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000735986275 599380051 /nfs/dbraw/zinc/38/00/51/599380051.db2.gz QIXFMSIYPDMFNX-PBHICJAKSA-N -1 3 370.501 3.167 20 0 FGADHM c1ccc(N2CC[C@@H](CNc3cc(-c4nnn[n-]4)c4ccccc4n3)C2)cc1 ZINC000738436138 599408943 /nfs/dbraw/zinc/40/89/43/599408943.db2.gz QNMQQIBZKBSGLO-HNNXBMFYSA-N -1 3 371.448 3.353 20 0 FGADHM c1ccc(N2CC[C@@H](CNc3cc(-c4nn[n-]n4)c4ccccc4n3)C2)cc1 ZINC000738436138 599408945 /nfs/dbraw/zinc/40/89/45/599408945.db2.gz QNMQQIBZKBSGLO-HNNXBMFYSA-N -1 3 371.448 3.353 20 0 FGADHM C[C@H](NC(=O)N1C[C@H](C)[C@@H]1c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820341322 599419475 /nfs/dbraw/zinc/41/94/75/599419475.db2.gz PZJGLJFSEBVVOR-SUNYJGFJSA-N -1 3 362.437 3.330 20 0 FGADHM C[C@H](NC(=O)N1C[C@H](C)[C@@H]1c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820341322 599419478 /nfs/dbraw/zinc/41/94/78/599419478.db2.gz PZJGLJFSEBVVOR-SUNYJGFJSA-N -1 3 362.437 3.330 20 0 FGADHM CCn1cc(C2CCN(c3cc(-c4nnn[n-]4)c4ccccc4n3)CC2)cn1 ZINC000736721651 599421896 /nfs/dbraw/zinc/42/18/96/599421896.db2.gz HTUPUVHPHUCIDR-UHFFFAOYSA-N -1 3 374.452 3.015 20 0 FGADHM CCn1cc(C2CCN(c3cc(-c4nn[n-]n4)c4ccccc4n3)CC2)cn1 ZINC000736721651 599421897 /nfs/dbraw/zinc/42/18/97/599421897.db2.gz HTUPUVHPHUCIDR-UHFFFAOYSA-N -1 3 374.452 3.015 20 0 FGADHM Fc1cccc([C@@H]2CN(c3cc(Cl)ccc3-c3nnn[n-]3)CCO2)c1 ZINC000737664160 599428607 /nfs/dbraw/zinc/42/86/07/599428607.db2.gz CNIQUGPKTIHLPH-INIZCTEOSA-N -1 3 359.792 3.237 20 0 FGADHM Fc1cccc([C@@H]2CN(c3cc(Cl)ccc3-c3nn[n-]n3)CCO2)c1 ZINC000737664160 599428610 /nfs/dbraw/zinc/42/86/10/599428610.db2.gz CNIQUGPKTIHLPH-INIZCTEOSA-N -1 3 359.792 3.237 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1CSc1ncnc2ccsc21 ZINC000821752428 607377631 /nfs/dbraw/zinc/37/76/31/607377631.db2.gz MJJAEUDGGAJDLI-UHFFFAOYSA-N -1 3 356.436 3.172 20 0 FGADHM Cc1nn(C)c(C)c1[C@H]1CCCN1c1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000737508908 599432732 /nfs/dbraw/zinc/43/27/32/599432732.db2.gz DVWLHFNXYXLDOE-QGZVFWFLSA-N -1 3 374.452 3.107 20 0 FGADHM Cc1nn(C)c(C)c1[C@H]1CCCN1c1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000737508908 599432735 /nfs/dbraw/zinc/43/27/35/599432735.db2.gz DVWLHFNXYXLDOE-QGZVFWFLSA-N -1 3 374.452 3.107 20 0 FGADHM CCc1ccc(CCNc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)cc1 ZINC000736683985 599440149 /nfs/dbraw/zinc/44/01/49/599440149.db2.gz UBWQBTQDQQYURB-UHFFFAOYSA-N -1 3 362.359 3.498 20 0 FGADHM CCc1ccc(CCNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)cc1 ZINC000736683985 599440151 /nfs/dbraw/zinc/44/01/51/599440151.db2.gz UBWQBTQDQQYURB-UHFFFAOYSA-N -1 3 362.359 3.498 20 0 FGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N1CCC(c2ccccc2F)CC1 ZINC000738179293 599451893 /nfs/dbraw/zinc/45/18/93/599451893.db2.gz QEDRNKXGOKYEJK-UHFFFAOYSA-N -1 3 366.400 3.417 20 0 FGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N1CCC(c2ccccc2F)CC1 ZINC000738179293 599451895 /nfs/dbraw/zinc/45/18/95/599451895.db2.gz QEDRNKXGOKYEJK-UHFFFAOYSA-N -1 3 366.400 3.417 20 0 FGADHM C[C@H](NC(=O)CCc1cc(Cl)cs1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736106857 599465098 /nfs/dbraw/zinc/46/50/98/599465098.db2.gz WIBDSBKIBVIPCO-JTQLQIEISA-N -1 3 361.858 3.392 20 0 FGADHM C[C@H](NC(=O)CCc1cc(Cl)cs1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736106857 599465100 /nfs/dbraw/zinc/46/51/00/599465100.db2.gz WIBDSBKIBVIPCO-JTQLQIEISA-N -1 3 361.858 3.392 20 0 FGADHM C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736234821 599468522 /nfs/dbraw/zinc/46/85/22/599468522.db2.gz KUHYWEZKUCPPDO-WBMJQRKESA-N -1 3 351.385 3.024 20 0 FGADHM C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736234821 599468523 /nfs/dbraw/zinc/46/85/23/599468523.db2.gz KUHYWEZKUCPPDO-WBMJQRKESA-N -1 3 351.385 3.024 20 0 FGADHM CCN(CC)c1ccc(CNc2c(Cl)cccc2-c2nnn[n-]2)cn1 ZINC000821198923 599479668 /nfs/dbraw/zinc/47/96/68/599479668.db2.gz YDOUMGGWCRHKLD-UHFFFAOYSA-N -1 3 357.849 3.373 20 0 FGADHM CCN(CC)c1ccc(CNc2c(Cl)cccc2-c2nn[n-]n2)cn1 ZINC000821198923 599479671 /nfs/dbraw/zinc/47/96/71/599479671.db2.gz YDOUMGGWCRHKLD-UHFFFAOYSA-N -1 3 357.849 3.373 20 0 FGADHM COc1ccc(OCCCNc2c(Cl)cccc2-c2nnn[n-]2)cc1 ZINC000821842114 599493423 /nfs/dbraw/zinc/49/34/23/599493423.db2.gz ONFHEQHWVLGTHC-UHFFFAOYSA-N -1 3 359.817 3.410 20 0 FGADHM COc1ccc(OCCCNc2c(Cl)cccc2-c2nn[n-]n2)cc1 ZINC000821842114 599493425 /nfs/dbraw/zinc/49/34/25/599493425.db2.gz ONFHEQHWVLGTHC-UHFFFAOYSA-N -1 3 359.817 3.410 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000738152136 599493653 /nfs/dbraw/zinc/49/36/53/599493653.db2.gz OPXALEZXZVPRQO-CQSZACIVSA-N -1 3 366.400 3.102 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000738152136 599493655 /nfs/dbraw/zinc/49/36/55/599493655.db2.gz OPXALEZXZVPRQO-CQSZACIVSA-N -1 3 366.400 3.102 20 0 FGADHM Cc1cc(NC(=O)Cc2ccc(-c3nnn[n-]3)cc2)ccc1C(F)(F)F ZINC000822208294 599495815 /nfs/dbraw/zinc/49/58/15/599495815.db2.gz LEOMVPBYVCEHFZ-UHFFFAOYSA-N -1 3 361.327 3.375 20 0 FGADHM Cc1cc(NC(=O)Cc2ccc(-c3nn[n-]n3)cc2)ccc1C(F)(F)F ZINC000822208294 599495816 /nfs/dbraw/zinc/49/58/16/599495816.db2.gz LEOMVPBYVCEHFZ-UHFFFAOYSA-N -1 3 361.327 3.375 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NC(C)(C)c1cccc(F)c1 ZINC000737291133 599502288 /nfs/dbraw/zinc/50/22/88/599502288.db2.gz IFFVBPXQAMPNCE-UHFFFAOYSA-N -1 3 354.389 3.371 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NC(C)(C)c1cccc(F)c1 ZINC000737291133 599502292 /nfs/dbraw/zinc/50/22/92/599502292.db2.gz IFFVBPXQAMPNCE-UHFFFAOYSA-N -1 3 354.389 3.371 20 0 FGADHM Cc1ccc(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1-n1cccc1 ZINC000822226291 599503779 /nfs/dbraw/zinc/50/37/79/599503779.db2.gz LLYHMAJTFKUDAT-HNNXBMFYSA-N -1 3 372.432 3.457 20 0 FGADHM Cc1ccc(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1-n1cccc1 ZINC000822226291 599503780 /nfs/dbraw/zinc/50/37/80/599503780.db2.gz LLYHMAJTFKUDAT-HNNXBMFYSA-N -1 3 372.432 3.457 20 0 FGADHM C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820321422 599503837 /nfs/dbraw/zinc/50/38/37/599503837.db2.gz FZPCQKHQEYWTGQ-NZVBXONLSA-N -1 3 369.375 3.126 20 0 FGADHM C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820321422 599503839 /nfs/dbraw/zinc/50/38/39/599503839.db2.gz FZPCQKHQEYWTGQ-NZVBXONLSA-N -1 3 369.375 3.126 20 0 FGADHM C[C@H](NC(=O)COc1ccc2ccccc2c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820329741 599518234 /nfs/dbraw/zinc/51/82/34/599518234.db2.gz ZJBUEOKZZRYUDG-AWEZNQCLSA-N -1 3 373.416 3.276 20 0 FGADHM C[C@H](NC(=O)COc1ccc2ccccc2c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820329741 599518237 /nfs/dbraw/zinc/51/82/37/599518237.db2.gz ZJBUEOKZZRYUDG-AWEZNQCLSA-N -1 3 373.416 3.276 20 0 FGADHM CC(C)c1ccccc1OCC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820197527 599522724 /nfs/dbraw/zinc/52/27/24/599522724.db2.gz LBMADKOWIRFTMW-CQSZACIVSA-N -1 3 365.437 3.246 20 0 FGADHM CC(C)c1ccccc1OCC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820197527 599522727 /nfs/dbraw/zinc/52/27/27/599522727.db2.gz LBMADKOWIRFTMW-CQSZACIVSA-N -1 3 365.437 3.246 20 0 FGADHM CCn1nc(C)c(CNc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)c1C ZINC000736729534 599524328 /nfs/dbraw/zinc/52/43/28/599524328.db2.gz URRBHGSEMMSENU-UHFFFAOYSA-N -1 3 365.363 3.331 20 0 FGADHM COc1ccccc1OCCCNc1c(Cl)cccc1-c1nnn[n-]1 ZINC000821903843 599525863 /nfs/dbraw/zinc/52/58/63/599525863.db2.gz MNXPXPHRWQPLEL-UHFFFAOYSA-N -1 3 359.817 3.410 20 0 FGADHM COc1ccccc1OCCCNc1c(Cl)cccc1-c1nn[n-]n1 ZINC000821903843 599525866 /nfs/dbraw/zinc/52/58/66/599525866.db2.gz MNXPXPHRWQPLEL-UHFFFAOYSA-N -1 3 359.817 3.410 20 0 FGADHM COc1cccc(OCCCNc2c(F)cc(-c3nnn[n-]3)cc2F)c1 ZINC000737141502 599528598 /nfs/dbraw/zinc/52/85/98/599528598.db2.gz MFPKKKVJEHGNSO-UHFFFAOYSA-N -1 3 361.352 3.035 20 0 FGADHM COc1cccc(OCCCNc2c(F)cc(-c3nn[n-]n3)cc2F)c1 ZINC000737141502 599528601 /nfs/dbraw/zinc/52/86/01/599528601.db2.gz MFPKKKVJEHGNSO-UHFFFAOYSA-N -1 3 361.352 3.035 20 0 FGADHM C[C@H](NC(=O)C=Cc1ccc2ccccc2n1)c1cccc(-c2nnn[n-]2)c1 ZINC000820321825 599530515 /nfs/dbraw/zinc/53/05/15/599530515.db2.gz MWHHLDVTHONVFM-GETOMWPZSA-N -1 3 370.416 3.306 20 0 FGADHM C[C@H](NC(=O)C=Cc1ccc2ccccc2n1)c1cccc(-c2nn[n-]n2)c1 ZINC000820321825 599530516 /nfs/dbraw/zinc/53/05/16/599530516.db2.gz MWHHLDVTHONVFM-GETOMWPZSA-N -1 3 370.416 3.306 20 0 FGADHM Cc1oc(-c2ccccc2F)nc1C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000737545988 599540304 /nfs/dbraw/zinc/54/03/04/599540304.db2.gz ASJVGYZPDXZKQF-UHFFFAOYSA-N -1 3 364.340 3.222 20 0 FGADHM Cc1oc(-c2ccccc2F)nc1C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000737545988 599540305 /nfs/dbraw/zinc/54/03/05/599540305.db2.gz ASJVGYZPDXZKQF-UHFFFAOYSA-N -1 3 364.340 3.222 20 0 FGADHM COc1cc(F)c([C@@H](C)Nc2ccc(F)cc2-c2nnn[n-]2)cc1OC ZINC000821720158 599558642 /nfs/dbraw/zinc/55/86/42/599558642.db2.gz NTVJKTCNIAZJAK-SECBINFHSA-N -1 3 361.352 3.335 20 0 FGADHM COc1cc(F)c([C@@H](C)Nc2ccc(F)cc2-c2nn[n-]n2)cc1OC ZINC000821720158 599558643 /nfs/dbraw/zinc/55/86/43/599558643.db2.gz NTVJKTCNIAZJAK-SECBINFHSA-N -1 3 361.352 3.335 20 0 FGADHM O[C@H](CNc1c(Cl)cccc1-c1nnn[n-]1)c1ccccc1Cl ZINC000823690414 599570278 /nfs/dbraw/zinc/57/02/78/599570278.db2.gz OJVFDPPTRYDURY-CYBMUJFWSA-N -1 3 350.209 3.319 20 0 FGADHM O[C@H](CNc1c(Cl)cccc1-c1nn[n-]n1)c1ccccc1Cl ZINC000823690414 599570279 /nfs/dbraw/zinc/57/02/79/599570279.db2.gz OJVFDPPTRYDURY-CYBMUJFWSA-N -1 3 350.209 3.319 20 0 FGADHM O=C(N[C@H]1CC=CCC1)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738020597 599570872 /nfs/dbraw/zinc/57/08/72/599570872.db2.gz OBGRBFLSWBYZGL-INIZCTEOSA-N -1 3 360.421 3.449 20 0 FGADHM CC[C@@H](NC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C)c1nccs1 ZINC000736363094 599600158 /nfs/dbraw/zinc/60/01/58/599600158.db2.gz MFAIJJCRJBPVRY-LLVKDONJSA-N -1 3 374.474 3.153 20 0 FGADHM CC[C@@H](NC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C)c1nccs1 ZINC000736363094 599600159 /nfs/dbraw/zinc/60/01/59/599600159.db2.gz MFAIJJCRJBPVRY-LLVKDONJSA-N -1 3 374.474 3.153 20 0 FGADHM C[C@H](Cc1ccccc1F)C(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000736067636 599607533 /nfs/dbraw/zinc/60/75/33/599607533.db2.gz YEPGNEUQESWSTP-LLVKDONJSA-N -1 3 358.348 3.067 20 0 FGADHM C[C@H](Cc1ccccc1F)C(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000736067636 599607535 /nfs/dbraw/zinc/60/75/35/599607535.db2.gz YEPGNEUQESWSTP-LLVKDONJSA-N -1 3 358.348 3.067 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)c1coc(-c2ccccc2)n1 ZINC000738234347 599609780 /nfs/dbraw/zinc/60/97/80/599609780.db2.gz CICYJRLJWSYNJC-UHFFFAOYSA-N -1 3 365.324 3.018 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)c1coc(-c2ccccc2)n1 ZINC000738234347 599609782 /nfs/dbraw/zinc/60/97/82/599609782.db2.gz CICYJRLJWSYNJC-UHFFFAOYSA-N -1 3 365.324 3.018 20 0 FGADHM CC[C@H](C)[C@@H]1CCCCN1C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC000736329167 599609798 /nfs/dbraw/zinc/60/97/98/599609798.db2.gz ILIRJFSCHYLMRR-WFASDCNBSA-N -1 3 358.446 3.308 20 0 FGADHM CC[C@H](C)[C@@H]1CCCCN1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC000736329167 599609800 /nfs/dbraw/zinc/60/98/00/599609800.db2.gz ILIRJFSCHYLMRR-WFASDCNBSA-N -1 3 358.446 3.308 20 0 FGADHM CC[C@H](C)[C@@H]1CCCCN1C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000736333782 599613224 /nfs/dbraw/zinc/61/32/24/599613224.db2.gz VCSJEZFISCCPBU-LRDDRELGSA-N -1 3 360.437 3.116 20 0 FGADHM CC[C@H](C)[C@@H]1CCCCN1C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000736333782 599613226 /nfs/dbraw/zinc/61/32/26/599613226.db2.gz VCSJEZFISCCPBU-LRDDRELGSA-N -1 3 360.437 3.116 20 0 FGADHM C[C@@H](C(=O)O[C@@H](C)COc1cccc(-c2nnn[n-]2)c1)c1ccsc1 ZINC000736037137 599617680 /nfs/dbraw/zinc/61/76/80/599617680.db2.gz JOVANRSYMMKGHA-NWDGAFQWSA-N -1 3 358.423 3.042 20 0 FGADHM C[C@@H](C(=O)O[C@@H](C)COc1cccc(-c2nn[n-]n2)c1)c1ccsc1 ZINC000736037137 599617682 /nfs/dbraw/zinc/61/76/82/599617682.db2.gz JOVANRSYMMKGHA-NWDGAFQWSA-N -1 3 358.423 3.042 20 0 FGADHM C[C@@H](Cc1ccccc1F)C(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000736056639 599617922 /nfs/dbraw/zinc/61/79/22/599617922.db2.gz BXOCQHZHNPBMDD-STQMWFEESA-N -1 3 354.385 3.489 20 0 FGADHM C[C@@H](Cc1ccccc1F)C(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000736056639 599617923 /nfs/dbraw/zinc/61/79/23/599617923.db2.gz BXOCQHZHNPBMDD-STQMWFEESA-N -1 3 354.385 3.489 20 0 FGADHM COc1cccc(CCCOC(=O)C=Cc2ccccc2-c2nnn[n-]2)c1 ZINC000821868556 599626067 /nfs/dbraw/zinc/62/60/67/599626067.db2.gz SFJGXRDWBZQCBP-VAWYXSNFSA-N -1 3 364.405 3.065 20 0 FGADHM COc1cccc(CCCOC(=O)C=Cc2ccccc2-c2nn[n-]n2)c1 ZINC000821868556 599626068 /nfs/dbraw/zinc/62/60/68/599626068.db2.gz SFJGXRDWBZQCBP-VAWYXSNFSA-N -1 3 364.405 3.065 20 0 FGADHM CC(C)c1nn(C)c2sc(C(=O)Nc3ccccc3-c3nn[n-]n3)cc12 ZINC000820206064 599628511 /nfs/dbraw/zinc/62/85/11/599628511.db2.gz BYGLFJZGWGHHPB-UHFFFAOYSA-N -1 3 367.438 3.191 20 0 FGADHM Cc1cc2c(cc1C)O[C@H](C(=O)Nc1ccc(-c3nnn[n-]3)c(Cl)c1)C2 ZINC000822212817 599629494 /nfs/dbraw/zinc/62/94/94/599629494.db2.gz IHKRBSGGMNAHKK-INIZCTEOSA-N -1 3 369.812 3.079 20 0 FGADHM Cc1cc2c(cc1C)O[C@H](C(=O)Nc1ccc(-c3nn[n-]n3)c(Cl)c1)C2 ZINC000822212817 599629495 /nfs/dbraw/zinc/62/94/95/599629495.db2.gz IHKRBSGGMNAHKK-INIZCTEOSA-N -1 3 369.812 3.079 20 0 FGADHM O=C(COC1CCCCC1)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000823027135 599633970 /nfs/dbraw/zinc/63/39/70/599633970.db2.gz NJXANYFGGCJRKH-UHFFFAOYSA-N -1 3 369.347 3.173 20 0 FGADHM O=C(COC1CCCCC1)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823027135 599633971 /nfs/dbraw/zinc/63/39/71/599633971.db2.gz NJXANYFGGCJRKH-UHFFFAOYSA-N -1 3 369.347 3.173 20 0 FGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)Nc1c(F)cc(F)cc1F ZINC000823066164 599634960 /nfs/dbraw/zinc/63/49/60/599634960.db2.gz NQOIJIFAJJBZCS-UHFFFAOYSA-N -1 3 365.340 3.015 20 0 FGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)Nc1c(F)cc(F)cc1F ZINC000823066164 599634961 /nfs/dbraw/zinc/63/49/61/599634961.db2.gz NQOIJIFAJJBZCS-UHFFFAOYSA-N -1 3 365.340 3.015 20 0 FGADHM O=C(CN1CCCCCc2ccccc21)Nc1sccc1-c1nnn[n-]1 ZINC000822996335 599641964 /nfs/dbraw/zinc/64/19/64/599641964.db2.gz CQKBESPXFLHDGQ-UHFFFAOYSA-N -1 3 368.466 3.100 20 0 FGADHM O=C(CN1CCCCCc2ccccc21)Nc1sccc1-c1nn[n-]n1 ZINC000822996335 599641965 /nfs/dbraw/zinc/64/19/65/599641965.db2.gz CQKBESPXFLHDGQ-UHFFFAOYSA-N -1 3 368.466 3.100 20 0 FGADHM C[C@@H](NC(=O)[C@@H](C)CCOc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820248680 599647747 /nfs/dbraw/zinc/64/77/47/599647747.db2.gz MGOQOTQDSAQOPP-LSDHHAIUSA-N -1 3 365.437 3.149 20 0 FGADHM C[C@@H](NC(=O)[C@@H](C)CCOc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820248680 599647748 /nfs/dbraw/zinc/64/77/48/599647748.db2.gz MGOQOTQDSAQOPP-LSDHHAIUSA-N -1 3 365.437 3.149 20 0 FGADHM O=C(OCc1cc(-c2nnn[n-]2)ccc1F)c1cc2cccc(F)c2o1 ZINC000823414577 599665521 /nfs/dbraw/zinc/66/55/21/599665521.db2.gz ZNIQXUXDFMIEKT-UHFFFAOYSA-N -1 3 356.288 3.248 20 0 FGADHM O=C(OCc1cc(-c2nn[n-]n2)ccc1F)c1cc2cccc(F)c2o1 ZINC000823414577 599665522 /nfs/dbraw/zinc/66/55/22/599665522.db2.gz ZNIQXUXDFMIEKT-UHFFFAOYSA-N -1 3 356.288 3.248 20 0 FGADHM C[C@H](C(=O)OCc1cn2ccccc2c1-c1nnn[n-]1)c1cccc(F)c1 ZINC000819883771 599666426 /nfs/dbraw/zinc/66/64/26/599666426.db2.gz MUMMOJBBDKKHGL-LBPRGKRZSA-N -1 3 365.368 3.105 20 0 FGADHM C[C@H](C(=O)OCc1cn2ccccc2c1-c1nn[n-]n1)c1cccc(F)c1 ZINC000819883771 599666427 /nfs/dbraw/zinc/66/64/27/599666427.db2.gz MUMMOJBBDKKHGL-LBPRGKRZSA-N -1 3 365.368 3.105 20 0 FGADHM CC(C)[C@H](C(=O)OCCOc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000820016916 599669623 /nfs/dbraw/zinc/66/96/23/599669623.db2.gz QPVFYYMMELIXGV-SFHVURJKSA-N -1 3 366.421 3.229 20 0 FGADHM CC(C)[C@H](C(=O)OCCOc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000820016916 599669624 /nfs/dbraw/zinc/66/96/24/599669624.db2.gz QPVFYYMMELIXGV-SFHVURJKSA-N -1 3 366.421 3.229 20 0 FGADHM C[C@H](CCOc1ccccc1)C(=O)OCc1cccc(-c2nnn[n-]2)c1 ZINC000820248425 599672360 /nfs/dbraw/zinc/67/23/60/599672360.db2.gz HNATVADLNJXYGB-CQSZACIVSA-N -1 3 352.394 3.015 20 0 FGADHM C[C@H](CCOc1ccccc1)C(=O)OCc1cccc(-c2nn[n-]n2)c1 ZINC000820248425 599672361 /nfs/dbraw/zinc/67/23/61/599672361.db2.gz HNATVADLNJXYGB-CQSZACIVSA-N -1 3 352.394 3.015 20 0 FGADHM CC(C)[C@@H]1CCCN(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000820348935 599682122 /nfs/dbraw/zinc/68/21/22/599682122.db2.gz GVTGSMMQNACCDW-LSDHHAIUSA-N -1 3 356.474 3.395 20 0 FGADHM CC(C)[C@@H]1CCCN(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000820348935 599682123 /nfs/dbraw/zinc/68/21/23/599682123.db2.gz GVTGSMMQNACCDW-LSDHHAIUSA-N -1 3 356.474 3.395 20 0 FGADHM CCC(=CC(=O)Nc1ccc(-c2nnn[n-]2)cn1)c1cccc(Cl)c1 ZINC000820832170 599689892 /nfs/dbraw/zinc/68/98/92/599689892.db2.gz HQIYJVGAGBFMAG-LUAWRHEFSA-N -1 3 354.801 3.347 20 0 FGADHM CCC(=CC(=O)Nc1ccc(-c2nn[n-]n2)cn1)c1cccc(Cl)c1 ZINC000820832170 599689893 /nfs/dbraw/zinc/68/98/93/599689893.db2.gz HQIYJVGAGBFMAG-LUAWRHEFSA-N -1 3 354.801 3.347 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)[C@@H]1C[C@H]1c1sccc1C ZINC000826184279 607390496 /nfs/dbraw/zinc/39/04/96/607390496.db2.gz QZBQLZLYBAJAOS-ZIAGYGMSSA-N -1 3 370.434 3.092 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)[C@@H]1C[C@H]1c1sccc1C ZINC000826184279 607390497 /nfs/dbraw/zinc/39/04/97/607390497.db2.gz QZBQLZLYBAJAOS-ZIAGYGMSSA-N -1 3 370.434 3.092 20 0 FGADHM Cc1ccsc1[C@H]1C[C@@H]1C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826316531 607391340 /nfs/dbraw/zinc/39/13/40/607391340.db2.gz REUKLXZUVWORBS-RYUDHWBXSA-N -1 3 358.398 3.223 20 0 FGADHM Cc1ccsc1[C@H]1C[C@@H]1C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826316531 607391342 /nfs/dbraw/zinc/39/13/42/607391342.db2.gz REUKLXZUVWORBS-RYUDHWBXSA-N -1 3 358.398 3.223 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)c1csc(C(C)(C)C)n1 ZINC000826254676 607405743 /nfs/dbraw/zinc/40/57/43/607405743.db2.gz WJHUAEJNFXMFTO-UHFFFAOYSA-N -1 3 357.439 3.286 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)c1csc(C(C)(C)C)n1 ZINC000826254676 607405744 /nfs/dbraw/zinc/40/57/44/607405744.db2.gz WJHUAEJNFXMFTO-UHFFFAOYSA-N -1 3 357.439 3.286 20 0 FGADHM CCCOc1ccc(Br)cc1CN[C@H]1CCCN(C(=O)[O-])C1 ZINC000737031510 599859764 /nfs/dbraw/zinc/85/97/64/599859764.db2.gz NWVSXDFHIJODSC-AWEZNQCLSA-N -1 3 371.275 3.470 20 0 FGADHM COc1ccc(C(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)c(F)c1 ZINC000821772749 607404144 /nfs/dbraw/zinc/40/41/44/607404144.db2.gz OHLCFIZSKKGIRB-UHFFFAOYSA-N -1 3 371.372 3.054 20 0 FGADHM COc1ccc(C(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)c(F)c1 ZINC000821772749 607404145 /nfs/dbraw/zinc/40/41/45/607404145.db2.gz OHLCFIZSKKGIRB-UHFFFAOYSA-N -1 3 371.372 3.054 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)NCC1(Cc2ccccc2)CC1 ZINC000822929516 607405554 /nfs/dbraw/zinc/40/55/54/607405554.db2.gz VKIGBYNVUSNMBU-KHPPLWFESA-N -1 3 359.433 3.019 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)NCC1(Cc2ccccc2)CC1 ZINC000822929516 607405555 /nfs/dbraw/zinc/40/55/55/607405555.db2.gz VKIGBYNVUSNMBU-KHPPLWFESA-N -1 3 359.433 3.019 20 0 FGADHM CC(C)Oc1ccc(NC(=O)c2ccnc3ccccc32)cc1-c1nnn[n-]1 ZINC000820174600 607406844 /nfs/dbraw/zinc/40/68/44/607406844.db2.gz SWWIPLVIWKUVOG-UHFFFAOYSA-N -1 3 374.404 3.454 20 0 FGADHM CC(C)Oc1ccc(NC(=O)c2ccnc3ccccc32)cc1-c1nn[n-]n1 ZINC000820174600 607406846 /nfs/dbraw/zinc/40/68/46/607406846.db2.gz SWWIPLVIWKUVOG-UHFFFAOYSA-N -1 3 374.404 3.454 20 0 FGADHM C[C@@H](CN(CC(=O)N[C@H](c1cccs1)c1ccccc1)C1CC1)C(=O)[O-] ZINC000736577964 599950981 /nfs/dbraw/zinc/95/09/81/599950981.db2.gz IENRTHKIXKTMBH-LIRRHRJNSA-N -1 3 372.490 3.139 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)c1ccc(Cl)cc1F ZINC000821745110 607410667 /nfs/dbraw/zinc/41/06/67/607410667.db2.gz FCRRCLVEWNMSSA-UHFFFAOYSA-N -1 3 362.748 3.025 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)c1ccc(Cl)cc1F ZINC000821745110 607410668 /nfs/dbraw/zinc/41/06/68/607410668.db2.gz FCRRCLVEWNMSSA-UHFFFAOYSA-N -1 3 362.748 3.025 20 0 FGADHM CCc1ccc([C@H](C)C(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC000825705111 607417199 /nfs/dbraw/zinc/41/71/99/607417199.db2.gz WDZJOAMWDMCEOE-AWEZNQCLSA-N -1 3 361.449 3.338 20 0 FGADHM CCc1ccc([C@H](C)C(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000825705111 607417200 /nfs/dbraw/zinc/41/72/00/607417200.db2.gz WDZJOAMWDMCEOE-AWEZNQCLSA-N -1 3 361.449 3.338 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)c1ccc(C(F)F)cc1 ZINC000821745445 607417232 /nfs/dbraw/zinc/41/72/32/607417232.db2.gz WOBUNNHRGPWXLZ-UHFFFAOYSA-N -1 3 360.320 3.170 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)c1ccc(C(F)F)cc1 ZINC000821745445 607417233 /nfs/dbraw/zinc/41/72/33/607417233.db2.gz WOBUNNHRGPWXLZ-UHFFFAOYSA-N -1 3 360.320 3.170 20 0 FGADHM CCc1cc(C(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)oc1CC ZINC000825694525 607419258 /nfs/dbraw/zinc/41/92/58/607419258.db2.gz RYSVXBCGFAALSR-UHFFFAOYSA-N -1 3 351.410 3.004 20 0 FGADHM CCc1cc(C(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)oc1CC ZINC000825694525 607419259 /nfs/dbraw/zinc/41/92/59/607419259.db2.gz RYSVXBCGFAALSR-UHFFFAOYSA-N -1 3 351.410 3.004 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H]1[C@H]2CCc3ccccc3[C@@H]12 ZINC000822217665 607423141 /nfs/dbraw/zinc/42/31/41/607423141.db2.gz KNECEZIFAAJHNV-CGTJXYLNSA-N -1 3 360.421 3.025 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@H]1[C@H]2CCc3ccccc3[C@@H]12 ZINC000822217665 607423143 /nfs/dbraw/zinc/42/31/43/607423143.db2.gz KNECEZIFAAJHNV-CGTJXYLNSA-N -1 3 360.421 3.025 20 0 FGADHM CC(C)Oc1ccc(NC(=O)N2CC[C@@H](C(C)C)C2)cc1-c1nnn[n-]1 ZINC000820164176 607430756 /nfs/dbraw/zinc/43/07/56/607430756.db2.gz GGATXNNRXUXOBK-CYBMUJFWSA-N -1 3 358.446 3.164 20 0 FGADHM CC(C)Oc1ccc(NC(=O)N2CC[C@@H](C(C)C)C2)cc1-c1nn[n-]n1 ZINC000820164176 607430758 /nfs/dbraw/zinc/43/07/58/607430758.db2.gz GGATXNNRXUXOBK-CYBMUJFWSA-N -1 3 358.446 3.164 20 0 FGADHM CC(C)Oc1ccc(NC(=O)N2CCC[C@H]3CCC[C@H]32)cc1-c1nnn[n-]1 ZINC000820164053 607432334 /nfs/dbraw/zinc/43/23/34/607432334.db2.gz BKXPYMRZCGNYBH-CZUORRHYSA-N -1 3 370.457 3.450 20 0 FGADHM CC(C)Oc1ccc(NC(=O)N2CCC[C@H]3CCC[C@H]32)cc1-c1nn[n-]n1 ZINC000820164053 607432336 /nfs/dbraw/zinc/43/23/36/607432336.db2.gz BKXPYMRZCGNYBH-CZUORRHYSA-N -1 3 370.457 3.450 20 0 FGADHM CN(C(=O)c1nc(-c2ccccc2)cs1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825834527 607435767 /nfs/dbraw/zinc/43/57/67/607435767.db2.gz XNAZJSRVJMDUHS-UHFFFAOYSA-N -1 3 362.418 3.267 20 0 FGADHM CN(C(=O)c1nc(-c2ccccc2)cs1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825834527 607435769 /nfs/dbraw/zinc/43/57/69/607435769.db2.gz XNAZJSRVJMDUHS-UHFFFAOYSA-N -1 3 362.418 3.267 20 0 FGADHM CN(C(=O)[C@H]1C[C@H]1c1cccc(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825812076 607437111 /nfs/dbraw/zinc/43/71/11/607437111.db2.gz HJPHLZUGWVCPQD-HOTGVXAUSA-N -1 3 353.813 3.287 20 0 FGADHM CN(C(=O)[C@H]1C[C@H]1c1cccc(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825812076 607437112 /nfs/dbraw/zinc/43/71/12/607437112.db2.gz HJPHLZUGWVCPQD-HOTGVXAUSA-N -1 3 353.813 3.287 20 0 FGADHM CN(C(=O)C=Cc1ccnc2ccccc12)c1ccc(-c2nnn[n-]2)cc1 ZINC000825812768 607433331 /nfs/dbraw/zinc/43/33/31/607433331.db2.gz TYBQDGNFESJBGD-DHZHZOJOSA-N -1 3 356.389 3.091 20 0 FGADHM CN(C(=O)C=Cc1ccnc2ccccc12)c1ccc(-c2nn[n-]n2)cc1 ZINC000825812768 607433333 /nfs/dbraw/zinc/43/33/33/607433333.db2.gz TYBQDGNFESJBGD-DHZHZOJOSA-N -1 3 356.389 3.091 20 0 FGADHM CN(C(=O)c1cccc(OC(F)(F)F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825830594 607437374 /nfs/dbraw/zinc/43/73/74/607437374.db2.gz XPVWJJGMZRIYLU-UHFFFAOYSA-N -1 3 363.299 3.042 20 0 FGADHM CN(C(=O)c1cccc(OC(F)(F)F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825830594 607437375 /nfs/dbraw/zinc/43/73/75/607437375.db2.gz XPVWJJGMZRIYLU-UHFFFAOYSA-N -1 3 363.299 3.042 20 0 FGADHM CN(C(=O)CCCc1c[nH]c2ccccc12)c1ccc(-c2nnn[n-]2)cc1 ZINC000825817878 607438461 /nfs/dbraw/zinc/43/84/61/607438461.db2.gz RCTSIGLUWWEHFW-UHFFFAOYSA-N -1 3 360.421 3.334 20 0 FGADHM CN(C(=O)CCCc1c[nH]c2ccccc12)c1ccc(-c2nn[n-]n2)cc1 ZINC000825817878 607438462 /nfs/dbraw/zinc/43/84/62/607438462.db2.gz RCTSIGLUWWEHFW-UHFFFAOYSA-N -1 3 360.421 3.334 20 0 FGADHM C[C@@H](CSc1ccccc1)C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000824448415 607441525 /nfs/dbraw/zinc/44/15/25/607441525.db2.gz HXVMNCULFDOTGG-ZDUSSCGKSA-N -1 3 353.451 3.258 20 0 FGADHM C[C@@H](CSc1ccccc1)C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000824448415 607441527 /nfs/dbraw/zinc/44/15/27/607441527.db2.gz HXVMNCULFDOTGG-ZDUSSCGKSA-N -1 3 353.451 3.258 20 0 FGADHM CC(C)N(CCC(=O)[O-])C(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000736199962 600596376 /nfs/dbraw/zinc/59/63/76/600596376.db2.gz LIELJYXOVTVLNW-QGZVFWFLSA-N -1 3 360.498 3.041 20 0 FGADHM CCN1CCCC[C@@H]1C(=O)NC[C@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC000737117214 600600726 /nfs/dbraw/zinc/60/07/26/600600726.db2.gz YYFDSTSYROJLTR-AZUAARDMSA-N -1 3 368.477 3.074 20 0 FGADHM CC[C@@H]1Oc2cc([C@@H](C)N[C@@H](C(=O)[O-])c3ccc(F)cc3)ccc2NC1=O ZINC000829169461 600694947 /nfs/dbraw/zinc/69/49/47/600694947.db2.gz DTPAXWVGAUXXOM-DPZKZMLUSA-N -1 3 372.396 3.412 20 0 FGADHM C[C@H](C(=O)NCc1c2ccccc2sc1C(=O)[O-])N1CCCCCC1 ZINC000826004972 600705802 /nfs/dbraw/zinc/70/58/02/600705802.db2.gz PBZGYFODKPREPT-CYBMUJFWSA-N -1 3 360.479 3.480 20 0 FGADHM O=C([O-])[C@@H]1CCCN(Cn2ncc3cc(OCc4ccccc4)ccc32)C1 ZINC000833189182 600714190 /nfs/dbraw/zinc/71/41/90/600714190.db2.gz VQIJVZGLTPIYMW-QGZVFWFLSA-N -1 3 365.433 3.369 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1CN(Cc1ccco1)Cc1ccco1 ZINC000821731706 607466011 /nfs/dbraw/zinc/46/60/11/607466011.db2.gz FFXYJWXAKYZDGE-UHFFFAOYSA-N -1 3 365.393 3.264 20 0 FGADHM C[C@H]1C[C@@H]1c1ccc(CN(Cc2ccnc(-c3nnn[n-]3)c2)C2CC2)o1 ZINC000824899472 607476676 /nfs/dbraw/zinc/47/66/76/607476676.db2.gz KFDTUITVFYBHNK-LRDDRELGSA-N -1 3 350.426 3.143 20 0 FGADHM C[C@H]1C[C@@H]1c1ccc(CN(Cc2ccnc(-c3nn[n-]n3)c2)C2CC2)o1 ZINC000824899472 607476677 /nfs/dbraw/zinc/47/66/77/607476677.db2.gz KFDTUITVFYBHNK-LRDDRELGSA-N -1 3 350.426 3.143 20 0 FGADHM Cc1ccc([C@H]2CCCCN2C[C@H](O)COc2ccc(C(=O)[O-])cc2)o1 ZINC000738583796 600968768 /nfs/dbraw/zinc/96/87/68/600968768.db2.gz RRRWEYPWHIWWKR-FUHWJXTLSA-N -1 3 359.422 3.253 20 0 FGADHM CC(C)COC[C@@H](NCc1ccc(-c2nnn[n-]2)cc1F)c1ccco1 ZINC000820102962 607478594 /nfs/dbraw/zinc/47/85/94/607478594.db2.gz MWUUUWJPCRTVEB-MRXNPFEDSA-N -1 3 359.405 3.102 20 0 FGADHM CC(C)COC[C@@H](NCc1ccc(-c2nn[n-]n2)cc1F)c1ccco1 ZINC000820102962 607478596 /nfs/dbraw/zinc/47/85/96/607478596.db2.gz MWUUUWJPCRTVEB-MRXNPFEDSA-N -1 3 359.405 3.102 20 0 FGADHM CN(C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000388587663 600983417 /nfs/dbraw/zinc/98/34/17/600983417.db2.gz HIMFHESVLKSTLA-CEXWTWQISA-N -1 3 358.482 3.000 20 0 FGADHM Cc1ccccc1C(=O)NC1CCN([C@H](C(=O)[O-])c2ccccc2F)CC1 ZINC000832976685 600988209 /nfs/dbraw/zinc/98/82/09/600988209.db2.gz YJTKFNOFYNOZBH-IBGZPJMESA-N -1 3 370.424 3.154 20 0 FGADHM CC(C)[C@H]1CN(C)CCN1Cc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000826742227 601011049 /nfs/dbraw/zinc/01/10/49/601011049.db2.gz WXHCYXSFZOKANA-QGZVFWFLSA-N -1 3 359.495 3.280 20 0 FGADHM Cc1oc(C(=O)[O-])cc1CN1CCC[C@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000738957865 601119248 /nfs/dbraw/zinc/11/92/48/601119248.db2.gz PNTNREWAQJLQBM-JTQLQIEISA-N -1 3 357.332 3.408 20 0 FGADHM C[C@@H](C(=O)[O-])[C@H](NCC(=O)NC1(c2ccccc2)CCC1)c1ccccc1 ZINC000826044323 601201505 /nfs/dbraw/zinc/20/15/05/601201505.db2.gz FGLLNBUUPJJEKP-UZLBHIALSA-N -1 3 366.461 3.234 20 0 FGADHM CSc1cccc(NC(=O)CN[C@H](c2ccccc2)[C@H](C)C(=O)[O-])c1 ZINC000832785992 601203485 /nfs/dbraw/zinc/20/34/85/601203485.db2.gz UQNULCNUJDFXIA-UGSOOPFHSA-N -1 3 358.463 3.399 20 0 FGADHM C[C@@H]1[C@H](c2ccccc2)CCN1CC(=O)N(C)c1ccccc1C(=O)[O-] ZINC000828150998 601360169 /nfs/dbraw/zinc/36/01/69/601360169.db2.gz SSSDYAPKIBPZDA-NVXWUHKLSA-N -1 3 352.434 3.226 20 0 FGADHM CCc1oc(C(=O)[O-])cc1CN1CCC[C@H](C(=O)Nc2cccc(C)n2)C1 ZINC000830368737 601413650 /nfs/dbraw/zinc/41/36/50/601413650.db2.gz BDVZAUXRLQVHQU-AWEZNQCLSA-N -1 3 371.437 3.094 20 0 FGADHM COc1ccc([C@H](NCc2cccc(SC(=O)N(C)C)c2)C(=O)[O-])cc1 ZINC000832253393 601532495 /nfs/dbraw/zinc/53/24/95/601532495.db2.gz YARJRRIGCNLQIK-KRWDZBQOSA-N -1 3 374.462 3.384 20 0 FGADHM CN(C[C@H]1CCN(Cc2ccc(C(=O)[O-])c(F)c2)C1)C(=O)OC(C)(C)C ZINC000830717549 601629391 /nfs/dbraw/zinc/62/93/91/601629391.db2.gz CNNHGKYCBTZOEE-CQSZACIVSA-N -1 3 366.433 3.213 20 0 FGADHM Cc1ccc(NC(=O)[C@H]2CCCN(Cc3ccc(C(=O)[O-])c(F)c3)C2)nc1 ZINC000832942004 601642019 /nfs/dbraw/zinc/64/20/19/601642019.db2.gz QMVFTOVCEVICLV-HNNXBMFYSA-N -1 3 371.412 3.078 20 0 FGADHM Cc1ccc(CN(C(=O)CN[C@H](c2ccccc2)[C@H](C)C(=O)[O-])C2CC2)o1 ZINC000832930183 601654124 /nfs/dbraw/zinc/65/41/24/601654124.db2.gz JNPQQKRYYOYGRX-YWZLYKJASA-N -1 3 370.449 3.131 20 0 FGADHM Cc1ccc(C(=O)NC2CCN(Cc3ccsc3C(=O)[O-])CC2)s1 ZINC000832911774 601812065 /nfs/dbraw/zinc/81/20/65/601812065.db2.gz XCTIDIVGUNKAFU-UHFFFAOYSA-N -1 3 364.492 3.211 20 0 FGADHM Cc1ccc(NC(=O)[C@H]2CCCN(Cc3ccsc3C(=O)[O-])C2)nc1 ZINC000832941357 601829535 /nfs/dbraw/zinc/82/95/35/601829535.db2.gz KICKIDLROOHHDQ-AWEZNQCLSA-N -1 3 359.451 3.000 20 0 FGADHM CCCCN(c1ccccc1)S(=O)(=O)c1cccc(C)c1-c1nnn[n-]1 ZINC000825285508 607531736 /nfs/dbraw/zinc/53/17/36/607531736.db2.gz YXHJUSWGOFFNQC-UHFFFAOYSA-N -1 3 371.466 3.171 20 0 FGADHM CCCCN(c1ccccc1)S(=O)(=O)c1cccc(C)c1-c1nn[n-]n1 ZINC000825285508 607531737 /nfs/dbraw/zinc/53/17/37/607531737.db2.gz YXHJUSWGOFFNQC-UHFFFAOYSA-N -1 3 371.466 3.171 20 0 FGADHM COc1ccc(OCCN(C)[C@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)cc1 ZINC000832443982 601901904 /nfs/dbraw/zinc/90/19/04/601901904.db2.gz DRHBBPYJBRFJLO-KRWDZBQOSA-N -1 3 369.339 3.249 20 0 FGADHM C[C@@H](CN1CCOCC1)N(Cc1ccc(C(=O)[O-])s1)Cc1ccccc1 ZINC000827460997 601949778 /nfs/dbraw/zinc/94/97/78/601949778.db2.gz JISUQDCODFADOD-INIZCTEOSA-N -1 3 374.506 3.169 20 0 FGADHM C[C@H]1C[C@H](NC(=O)c2cc(NC(=O)[O-])cc(C(F)(F)F)c2)CN1C1CC1 ZINC000828177675 602029064 /nfs/dbraw/zinc/02/90/64/602029064.db2.gz RKCHSMNYGQFLCD-ZANVPECISA-N -1 3 371.359 3.150 20 0 FGADHM COC(=O)[C@@H]1CC12CCN([C@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1)CC2 ZINC000831101581 602042362 /nfs/dbraw/zinc/04/23/62/602042362.db2.gz WWIXVLKUPIWGAG-KBPBESRZSA-N -1 3 372.248 3.394 20 0 FGADHM Cn1cc([C@H]2CCN([C@@H](C(=O)[O-])c3cc(Cl)cc(Cl)c3)C2)cn1 ZINC000833042841 602044395 /nfs/dbraw/zinc/04/43/95/602044395.db2.gz BSZAQCLBXDXAQM-ZUZCIYMTSA-N -1 3 354.237 3.342 20 0 FGADHM COc1ccc(COc2ccc(F)c3c2C(=O)C[C@@H]3C)cc1-c1nnn[n-]1 ZINC000826207304 607542057 /nfs/dbraw/zinc/54/20/57/607542057.db2.gz IZDKJIWUMLUBKH-JTQLQIEISA-N -1 3 368.368 3.283 20 0 FGADHM COc1ccc(COc2ccc(F)c3c2C(=O)C[C@@H]3C)cc1-c1nn[n-]n1 ZINC000826207304 607542058 /nfs/dbraw/zinc/54/20/58/607542058.db2.gz IZDKJIWUMLUBKH-JTQLQIEISA-N -1 3 368.368 3.283 20 0 FGADHM COc1cccc(C(C)(C)CNc2ncc(-c3nnn[n-]3)cc2Cl)c1 ZINC000826214845 607543732 /nfs/dbraw/zinc/54/37/32/607543732.db2.gz YUEHWUQQKFSFNN-UHFFFAOYSA-N -1 3 358.833 3.313 20 0 FGADHM COc1cccc(C(C)(C)CNc2ncc(-c3nn[n-]n3)cc2Cl)c1 ZINC000826214845 607543734 /nfs/dbraw/zinc/54/37/34/607543734.db2.gz YUEHWUQQKFSFNN-UHFFFAOYSA-N -1 3 358.833 3.313 20 0 FGADHM COc1ccc(CNc2cc(Cl)ccc2NC(C)=O)cc1-c1nnn[n-]1 ZINC000826203151 607549269 /nfs/dbraw/zinc/54/92/69/607549269.db2.gz ANCBFXLIRAUVAF-UHFFFAOYSA-N -1 3 372.816 3.099 20 0 FGADHM COc1ccc(CNc2cc(Cl)ccc2NC(C)=O)cc1-c1nn[n-]n1 ZINC000826203151 607549271 /nfs/dbraw/zinc/54/92/71/607549271.db2.gz ANCBFXLIRAUVAF-UHFFFAOYSA-N -1 3 372.816 3.099 20 0 FGADHM O=C([O-])N1CCC(CN2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)CC1 ZINC000740501405 602259218 /nfs/dbraw/zinc/25/92/18/602259218.db2.gz UOZRNMXOYREWGB-GHMZBOCLSA-N -1 3 362.314 3.439 20 0 FGADHM COc1ccccc1[C@@H](CNCC1=Cc2ccccc2OC1)NC(=O)[O-] ZINC000739964106 602270467 /nfs/dbraw/zinc/27/04/67/602270467.db2.gz PKAUIRGPWXTAHN-QGZVFWFLSA-N -1 3 354.406 3.070 20 0 FGADHM O=C([O-])[C@@H](NCCOc1ncc(Cl)cc1Cl)c1ccccc1F ZINC000833166637 602305454 /nfs/dbraw/zinc/30/54/54/602305454.db2.gz RZSHKIJWHPGSMV-ZDUSSCGKSA-N -1 3 359.184 3.322 20 0 FGADHM CC(C)CONC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824272471 607559067 /nfs/dbraw/zinc/55/90/67/607559067.db2.gz YKISFQOOCIUBHR-UHFFFAOYSA-N -1 3 368.397 3.368 20 0 FGADHM CCN(CC)[C@@H](CNC(=O)C1CCC(NC(=O)[O-])CC1)c1ccsc1 ZINC000739405780 602394728 /nfs/dbraw/zinc/39/47/28/602394728.db2.gz DADSBTBEPLCYGS-BCLQGDPASA-N -1 3 367.515 3.074 20 0 FGADHM CCC(CC)[C@@H](CCNC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1)OC ZINC000825095112 607565582 /nfs/dbraw/zinc/56/55/82/607565582.db2.gz DGSUVVGVVJYGNU-CXAGYDPISA-N -1 3 374.489 3.068 20 0 FGADHM CCC(CC)[C@@H](CCNC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1)OC ZINC000825095112 607565584 /nfs/dbraw/zinc/56/55/84/607565584.db2.gz DGSUVVGVVJYGNU-CXAGYDPISA-N -1 3 374.489 3.068 20 0 FGADHM Cc1nn(Cc2ccccc2Cl)c(Cl)c1CNCCCNC(=O)[O-] ZINC000740253325 602648018 /nfs/dbraw/zinc/64/80/18/602648018.db2.gz OYQCHVKWEPCEIO-UHFFFAOYSA-N -1 3 371.268 3.294 20 0 FGADHM O=C([O-])NCCCNCc1csc(-c2cccc(Br)c2)n1 ZINC000740652930 602877378 /nfs/dbraw/zinc/87/73/78/602877378.db2.gz PPKFSJLRUZHYHL-UHFFFAOYSA-N -1 3 370.272 3.320 20 0 FGADHM Cc1ccc(C(=O)NC[C@@H](C)N(C)Cc2ccccc2)cc1NC(=O)[O-] ZINC000830211421 602908304 /nfs/dbraw/zinc/90/83/04/602908304.db2.gz QDTXLSQRBVXIAZ-OAHLLOKOSA-N -1 3 355.438 3.335 20 0 FGADHM COc1cc(CN(C)C[C@H]2CCCN(C(=O)[O-])C2)c(SC)cc1OC ZINC000739856504 603067153 /nfs/dbraw/zinc/06/71/53/603067153.db2.gz BZLVNOCYMUEWCA-CYBMUJFWSA-N -1 3 368.499 3.248 20 0 FGADHM CN(C)[C@@H](CNC(=O)c1ccc(NC(=O)[O-])cc1Cl)c1ccccc1 ZINC000739607739 603203048 /nfs/dbraw/zinc/20/30/48/603203048.db2.gz KRHHTGDUQMHHIU-INIZCTEOSA-N -1 3 361.829 3.463 20 0 FGADHM COc1ccc(COC(=O)c2cc(F)cc(Cl)c2)cc1-c1nnn[n-]1 ZINC000826205982 607614116 /nfs/dbraw/zinc/61/41/16/607614116.db2.gz XHDZUCQNIMYABJ-UHFFFAOYSA-N -1 3 362.748 3.025 20 0 FGADHM COc1ccc(COC(=O)c2cc(F)cc(Cl)c2)cc1-c1nn[n-]n1 ZINC000826205982 607614117 /nfs/dbraw/zinc/61/41/17/607614117.db2.gz XHDZUCQNIMYABJ-UHFFFAOYSA-N -1 3 362.748 3.025 20 0 FGADHM COc1ccc(CNC(=O)Nc2ccc(C)cc2Cl)cc1-c1nnn[n-]1 ZINC000826200222 607615634 /nfs/dbraw/zinc/61/56/34/607615634.db2.gz FCAIYZLGVMIPHV-UHFFFAOYSA-N -1 3 372.816 3.159 20 0 FGADHM COc1ccc(CNC(=O)Nc2ccc(C)cc2Cl)cc1-c1nn[n-]n1 ZINC000826200222 607615635 /nfs/dbraw/zinc/61/56/35/607615635.db2.gz FCAIYZLGVMIPHV-UHFFFAOYSA-N -1 3 372.816 3.159 20 0 FGADHM COc1ccc(CNC(=O)Nc2ccc3ccccc3c2)cc1-c1nnn[n-]1 ZINC000826200441 607615947 /nfs/dbraw/zinc/61/59/47/607615947.db2.gz PWZZYZNLZDTUHB-UHFFFAOYSA-N -1 3 374.404 3.350 20 0 FGADHM COc1ccc(CNC(=O)Nc2ccc3ccccc3c2)cc1-c1nn[n-]n1 ZINC000826200441 607615949 /nfs/dbraw/zinc/61/59/49/607615949.db2.gz PWZZYZNLZDTUHB-UHFFFAOYSA-N -1 3 374.404 3.350 20 0 FGADHM Cc1nc2ccccc2nc1CN1CCCC[C@H]1[C@@H]1CCCN1C(=O)[O-] ZINC000740231597 603236352 /nfs/dbraw/zinc/23/63/52/603236352.db2.gz MPXXDWHOQUIXKA-OALUTQOASA-N -1 3 354.454 3.435 20 0 FGADHM C[C@H](C(=O)N[C@@H](CN(C)C)c1ccccc1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823677773 603254275 /nfs/dbraw/zinc/25/42/75/603254275.db2.gz NTSFGPUGJRYBSZ-SNRMKQJTSA-N -1 3 369.465 3.051 20 0 FGADHM CCC(CC)N(CC(C)C)C(=O)NCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000825107870 607623802 /nfs/dbraw/zinc/62/38/02/607623802.db2.gz SEODJVRTTWAPIM-UHFFFAOYSA-N -1 3 374.489 3.232 20 0 FGADHM CCC(CC)N(CC(C)C)C(=O)NCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000825107870 607623804 /nfs/dbraw/zinc/62/38/04/607623804.db2.gz SEODJVRTTWAPIM-UHFFFAOYSA-N -1 3 374.489 3.232 20 0 FGADHM CN(C)Cc1cccc(NC(=O)NCCc2ccc(NC(=O)[O-])cc2)c1 ZINC000737370388 603465154 /nfs/dbraw/zinc/46/51/54/603465154.db2.gz IVFONNMISAOQNT-UHFFFAOYSA-N -1 3 356.426 3.202 20 0 FGADHM c1sc(Cc2cn3ccccc3n2)nc1-c1cccc(-c2nnn[n-]2)c1 ZINC000826512490 607644921 /nfs/dbraw/zinc/64/49/21/607644921.db2.gz CPMRBNPAQVPQDO-UHFFFAOYSA-N -1 3 359.418 3.229 20 0 FGADHM c1sc(Cc2cn3ccccc3n2)nc1-c1cccc(-c2nn[n-]n2)c1 ZINC000826512490 607644922 /nfs/dbraw/zinc/64/49/22/607644922.db2.gz CPMRBNPAQVPQDO-UHFFFAOYSA-N -1 3 359.418 3.229 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@@H](c1ccc(F)cc1)C(C)C ZINC000826246526 607653014 /nfs/dbraw/zinc/65/30/14/607653014.db2.gz FXOMZPOUVYGFOE-QGZVFWFLSA-N -1 3 353.401 3.441 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@@H](c1ccc(F)cc1)C(C)C ZINC000826246526 607653016 /nfs/dbraw/zinc/65/30/16/607653016.db2.gz FXOMZPOUVYGFOE-QGZVFWFLSA-N -1 3 353.401 3.441 20 0 FGADHM O=C([O-])N1CCc2cccc(CNC[C@@H](c3ccco3)N3CCCC3)c21 ZINC000832087502 603848075 /nfs/dbraw/zinc/84/80/75/603848075.db2.gz WCXWYPPABZEBNM-KRWDZBQOSA-N -1 3 355.438 3.247 20 0 FGADHM Cc1cc(C)n(-c2ccc(NC(=O)c3ccc(-c4nnn[n-]4)cc3C)cc2)n1 ZINC000826264783 607655948 /nfs/dbraw/zinc/65/59/48/607655948.db2.gz AAYAGKLZRZACFX-UHFFFAOYSA-N -1 3 373.420 3.230 20 0 FGADHM Cc1cc(C)n(-c2ccc(NC(=O)c3ccc(-c4nn[n-]n4)cc3C)cc2)n1 ZINC000826264783 607655949 /nfs/dbraw/zinc/65/59/49/607655949.db2.gz AAYAGKLZRZACFX-UHFFFAOYSA-N -1 3 373.420 3.230 20 0 FGADHM CC[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)cc1C)c1ccccc1OC ZINC000825132551 607662591 /nfs/dbraw/zinc/66/25/91/607662591.db2.gz ARXODWXONPFSRK-MRXNPFEDSA-N -1 3 351.410 3.065 20 0 FGADHM CC[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)cc1C)c1ccccc1OC ZINC000825132551 607662593 /nfs/dbraw/zinc/66/25/93/607662593.db2.gz ARXODWXONPFSRK-MRXNPFEDSA-N -1 3 351.410 3.065 20 0 FGADHM C[C@H]1C[C@@H](NC(=O)c2ccc(F)c(NC(=O)[O-])c2)CN1Cc1ccccc1 ZINC000825850547 603967314 /nfs/dbraw/zinc/96/73/14/603967314.db2.gz CZKYUPZOLNYPEF-XJKSGUPXSA-N -1 3 371.412 3.308 20 0 FGADHM CC[C@@H]1CCc2nc(NC(=O)c3ccc(-c4nnn[n-]4)cc3C)sc2C1 ZINC000825204963 607666373 /nfs/dbraw/zinc/66/63/73/607666373.db2.gz UQFZGXYFEAPQFK-LLVKDONJSA-N -1 3 368.466 3.399 20 0 FGADHM CC[C@@H]1CCc2nc(NC(=O)c3ccc(-c4nn[n-]n4)cc3C)sc2C1 ZINC000825204963 607666374 /nfs/dbraw/zinc/66/63/74/607666374.db2.gz UQFZGXYFEAPQFK-LLVKDONJSA-N -1 3 368.466 3.399 20 0 FGADHM Cc1oc(NC(=O)CN(c2ccc(F)cc2)C(C)C)c(-c2nnn[n-]2)c1C ZINC000826342168 607669218 /nfs/dbraw/zinc/66/92/18/607669218.db2.gz ZSPYFDHZJINXQQ-UHFFFAOYSA-N -1 3 372.404 3.069 20 0 FGADHM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(Cc2cccc(C(=O)N3CCCCC3)c2)C1 ZINC000825266457 604215363 /nfs/dbraw/zinc/21/53/63/604215363.db2.gz WDTSORWYLUGPCE-VQIMIIECSA-N -1 3 373.497 3.181 20 0 FGADHM FC(F)(F)c1cc(N2CCC[C@@H]([C@H]3CCOC3)C2)ccc1-c1nnn[n-]1 ZINC000826368341 607681887 /nfs/dbraw/zinc/68/18/87/607681887.db2.gz MBMLRGAZBIEYJN-NEPJUHHUSA-N -1 3 367.375 3.138 20 0 FGADHM FC(F)(F)c1cc(N2CCC[C@@H]([C@H]3CCOC3)C2)ccc1-c1nn[n-]n1 ZINC000826368341 607681888 /nfs/dbraw/zinc/68/18/88/607681888.db2.gz MBMLRGAZBIEYJN-NEPJUHHUSA-N -1 3 367.375 3.138 20 0 FGADHM CN(C)CCN(CCCc1ccccc1)C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000830604253 604288501 /nfs/dbraw/zinc/28/85/01/604288501.db2.gz KPHVVTVKAIMXHQ-UHFFFAOYSA-N -1 3 372.440 3.161 20 0 FGADHM O=C([O-])CCN(Cc1ccc(F)c(F)c1)Cc1cccc2nsnc21 ZINC000833233340 604347620 /nfs/dbraw/zinc/34/76/20/604347620.db2.gz QZJMYDNNYPNEPK-UHFFFAOYSA-N -1 3 363.389 3.446 20 0 FGADHM O=C([O-])c1ccc(OCCN2CC[C@]3(O)CCCC[C@@H]3C2)c(Cl)c1 ZINC000833321023 604368983 /nfs/dbraw/zinc/36/89/83/604368983.db2.gz FLDLXNOYHPXHQR-RDTXWAMCSA-N -1 3 353.846 3.044 20 0 FGADHM Cc1[nH]c2ccc(Cl)cc2c1C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000826233807 607693835 /nfs/dbraw/zinc/69/38/35/607693835.db2.gz WPGGRZGTTQOYPE-UHFFFAOYSA-N -1 3 366.812 3.240 20 0 FGADHM Cc1[nH]c2ccc(Cl)cc2c1C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000826233807 607693836 /nfs/dbraw/zinc/69/38/36/607693836.db2.gz WPGGRZGTTQOYPE-UHFFFAOYSA-N -1 3 366.812 3.240 20 0 FGADHM C[C@@H]1C[C@@H](NC(=O)Nc2cc(C(=O)[O-])cs2)CN1Cc1ccccc1 ZINC000828177185 604509229 /nfs/dbraw/zinc/50/92/29/604509229.db2.gz OWBQYWGSFRPGCE-IUODEOHRSA-N -1 3 359.451 3.231 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CC[C@@H](Cc2ccccc2)[C@@H]1C ZINC000826243968 607700136 /nfs/dbraw/zinc/70/01/36/607700136.db2.gz CAKSQKPZCVJYEB-RDJZCZTQSA-N -1 3 361.449 3.268 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CC[C@@H](Cc2ccccc2)[C@@H]1C ZINC000826243968 607700137 /nfs/dbraw/zinc/70/01/37/607700137.db2.gz CAKSQKPZCVJYEB-RDJZCZTQSA-N -1 3 361.449 3.268 20 0 FGADHM O=C([O-])[C@H]1CC12CCN(Cc1ccccc1OCc1ccncc1)CC2 ZINC000833772164 604651231 /nfs/dbraw/zinc/65/12/31/604651231.db2.gz ZDEIJAYZKOBNHJ-GOSISDBHSA-N -1 3 352.434 3.347 20 0 FGADHM O=C(c1ccc(-c2nnn[n-]2)[nH]1)N1CCC[C@@H]1c1cccc2ccccc21 ZINC000826471263 607706592 /nfs/dbraw/zinc/70/65/92/607706592.db2.gz SZZJYOVPAGYOFD-GOSISDBHSA-N -1 3 358.405 3.325 20 0 FGADHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1CCC[C@@H]1c1cccc2ccccc21 ZINC000826471263 607706594 /nfs/dbraw/zinc/70/65/94/607706594.db2.gz SZZJYOVPAGYOFD-GOSISDBHSA-N -1 3 358.405 3.325 20 0 FGADHM CC[C@@H](C)OCC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000825074659 607708297 /nfs/dbraw/zinc/70/82/97/607708297.db2.gz JFUAJUWPEYLYSF-CYBMUJFWSA-N -1 3 367.409 3.413 20 0 FGADHM CC[C@@H](C)OCC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825074659 607708299 /nfs/dbraw/zinc/70/82/99/607708299.db2.gz JFUAJUWPEYLYSF-CYBMUJFWSA-N -1 3 367.409 3.413 20 0 FGADHM COc1ccccc1[C@@H](CN[C@H](C)c1ccc2c(c1)OCCO2)NC(=O)[O-] ZINC000829597649 604759977 /nfs/dbraw/zinc/75/99/77/604759977.db2.gz JNZGVPDAABQLIT-CZUORRHYSA-N -1 3 372.421 3.126 20 0 FGADHM C[C@H]1C[C@@H](NC(=O)CCc2ccccc2C(=O)[O-])CN1Cc1ccccc1 ZINC000833596400 604782518 /nfs/dbraw/zinc/78/25/18/604782518.db2.gz KJGAEDSTQXONNM-QFBILLFUSA-N -1 3 366.461 3.097 20 0 FGADHM CN(C(=O)c1cccc(NC(=O)[O-])c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000827946140 604899764 /nfs/dbraw/zinc/89/97/64/604899764.db2.gz ZVIAJIVHQWSFOV-SFHVURJKSA-N -1 3 353.422 3.123 20 0 FGADHM Cc1ccc(NC(=O)C[C@H](C)C2CCN(C(=O)[O-])CC2)c(CN(C)C)c1 ZINC000830363334 604914625 /nfs/dbraw/zinc/91/46/25/604914625.db2.gz FTWFNWFXHVVFDD-HNNXBMFYSA-N -1 3 361.486 3.411 20 0 FGADHM CC(=O)Nc1cccc([C@@H](C)NCc2ccc(CCNC(=O)[O-])cc2)c1 ZINC000823616462 604941727 /nfs/dbraw/zinc/94/17/27/604941727.db2.gz DCTGWOLTNSPXPJ-CQSZACIVSA-N -1 3 355.438 3.306 20 0 FGADHM C[C@H]1[C@H](c2ccccc2)c2ccccc2CCN1Cn1cc(C(=O)[O-])nn1 ZINC000828151621 604974764 /nfs/dbraw/zinc/97/47/64/604974764.db2.gz XEKNYLLXWSJKQO-MGPUTAFESA-N -1 3 362.433 3.013 20 0 FGADHM c1ccc([C@H]2CN(c3nc4c(cc3-c3nnn[n-]3)CCC4)CCS2)cc1 ZINC000826520218 607729303 /nfs/dbraw/zinc/72/93/03/607729303.db2.gz CUTLXTSHPKUQCW-QGZVFWFLSA-N -1 3 364.478 3.045 20 0 FGADHM c1ccc([C@H]2CN(c3nc4c(cc3-c3nn[n-]n3)CCC4)CCS2)cc1 ZINC000826520218 607729305 /nfs/dbraw/zinc/72/93/05/607729305.db2.gz CUTLXTSHPKUQCW-QGZVFWFLSA-N -1 3 364.478 3.045 20 0 FGADHM COCCCOc1cccc(CNc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000826157360 607729886 /nfs/dbraw/zinc/72/98/86/607729886.db2.gz RXHWENPIENKMJS-UHFFFAOYSA-N -1 3 357.389 3.033 20 0 FGADHM COCCCOc1cccc(CNc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000826157360 607729889 /nfs/dbraw/zinc/72/98/89/607729889.db2.gz RXHWENPIENKMJS-UHFFFAOYSA-N -1 3 357.389 3.033 20 0 FGADHM C[C@H](C[C@@H](O)c1cccs1)Nc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000824393507 607733186 /nfs/dbraw/zinc/73/31/86/607733186.db2.gz SIAJXKKYYGRYCB-IAQYHMDHSA-N -1 3 366.450 3.401 20 0 FGADHM C[C@H](C[C@@H](O)c1cccs1)Nc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000824393507 607733187 /nfs/dbraw/zinc/73/31/87/607733187.db2.gz SIAJXKKYYGRYCB-IAQYHMDHSA-N -1 3 366.450 3.401 20 0 FGADHM CCC(CC)[C@H](NCC(=O)N1CCC(C(=O)[O-])CC1)c1cccs1 ZINC000833642802 605097245 /nfs/dbraw/zinc/09/72/45/605097245.db2.gz TZZQJPYSTCXZKB-KRWDZBQOSA-N -1 3 352.500 3.138 20 0 FGADHM COc1ccc(N(Cc2ccccc2)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)cc1 ZINC000826209178 607735014 /nfs/dbraw/zinc/73/50/14/607735014.db2.gz PXLRMBDWKFOKIL-UHFFFAOYSA-N -1 3 374.404 3.050 20 0 FGADHM COc1ccc(N(Cc2ccccc2)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)cc1 ZINC000826209178 607735015 /nfs/dbraw/zinc/73/50/15/607735015.db2.gz PXLRMBDWKFOKIL-UHFFFAOYSA-N -1 3 374.404 3.050 20 0 FGADHM CN(C(=O)CN[C@@H](CC1CC1)c1ccccc1)c1ccccc1C(=O)[O-] ZINC000833685474 605138445 /nfs/dbraw/zinc/13/84/45/605138445.db2.gz IYWKFLXWIGVXGU-SFHVURJKSA-N -1 3 352.434 3.479 20 0 FGADHM CC(C)(C(=O)[O-])[C@@H](NCC(=O)NCc1cccc(Cl)c1)c1ccccc1 ZINC000833413698 605177820 /nfs/dbraw/zinc/17/78/20/605177820.db2.gz OKQQTMYTLWXRHI-SFHVURJKSA-N -1 3 374.868 3.398 20 0 FGADHM O=C(Nc1nc(C=Cc2ccccc2)cs1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826460242 607740798 /nfs/dbraw/zinc/74/07/98/607740798.db2.gz TXOSRSLRFZRXMA-SREVYHEPSA-N -1 3 363.406 3.074 20 0 FGADHM O=C(Nc1nc(C=Cc2ccccc2)cs1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826460242 607740799 /nfs/dbraw/zinc/74/07/99/607740799.db2.gz TXOSRSLRFZRXMA-SREVYHEPSA-N -1 3 363.406 3.074 20 0 FGADHM O=C(Nc1nc(C=Cc2ccccc2)cs1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826460243 607740884 /nfs/dbraw/zinc/74/08/84/607740884.db2.gz TXOSRSLRFZRXMA-VOTSOKGWSA-N -1 3 363.406 3.074 20 0 FGADHM O=C(Nc1nc(C=Cc2ccccc2)cs1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826460243 607740885 /nfs/dbraw/zinc/74/08/85/607740885.db2.gz TXOSRSLRFZRXMA-VOTSOKGWSA-N -1 3 363.406 3.074 20 0 FGADHM C[C@@H]1CN(Cc2ccc(OC(F)F)c(Br)c2)C[C@@H]1C(=O)[O-] ZINC000833630882 605247531 /nfs/dbraw/zinc/24/75/31/605247531.db2.gz YIOBFCLRGGTTHE-SCZZXKLOSA-N -1 3 364.186 3.203 20 0 FGADHM Cc1c(COC(C)(C)C)cccc1NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826236369 607746836 /nfs/dbraw/zinc/74/68/36/607746836.db2.gz JHBJWVOMTHIDSZ-UHFFFAOYSA-N -1 3 354.414 3.071 20 0 FGADHM Cc1c(COC(C)(C)C)cccc1NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826236369 607746837 /nfs/dbraw/zinc/74/68/37/607746837.db2.gz JHBJWVOMTHIDSZ-UHFFFAOYSA-N -1 3 354.414 3.071 20 0 FGADHM CN(C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1c2ccccc2-c2ccccc21 ZINC000825825862 607747199 /nfs/dbraw/zinc/74/71/99/607747199.db2.gz LSXKZRCLRROPGN-UHFFFAOYSA-N -1 3 356.389 3.037 20 0 FGADHM CN(C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1c2ccccc2-c2ccccc21 ZINC000825825862 607747200 /nfs/dbraw/zinc/74/72/00/607747200.db2.gz LSXKZRCLRROPGN-UHFFFAOYSA-N -1 3 356.389 3.037 20 0 FGADHM Cc1cc(-c2csc(NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)n2)ccc1F ZINC000826242955 607749579 /nfs/dbraw/zinc/74/95/79/607749579.db2.gz NJCIDBSQTXHZLB-UHFFFAOYSA-N -1 3 369.385 3.018 20 0 FGADHM Cc1cc(-c2csc(NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)n2)ccc1F ZINC000826242955 607749580 /nfs/dbraw/zinc/74/95/80/607749580.db2.gz NJCIDBSQTXHZLB-UHFFFAOYSA-N -1 3 369.385 3.018 20 0 FGADHM Cn1cc(CN2CCC(NC(=O)[O-])CC2)c(-c2cc3ccccc3o2)n1 ZINC000833949003 605482430 /nfs/dbraw/zinc/48/24/30/605482430.db2.gz LAEFJTRFWJGSSW-UHFFFAOYSA-N -1 3 354.410 3.065 20 0 FGADHM C[C@H](C[C@@H]1CCCCCN1C(=O)[O-])NCc1nccn1CC(F)(F)F ZINC000824759122 605496459 /nfs/dbraw/zinc/49/64/59/605496459.db2.gz IJFINKXBWFRPCW-OLZOCXBDSA-N -1 3 362.396 3.236 20 0 FGADHM O=C([O-])Nc1ccc(CN2CCC(c3c[nH]c4ncccc34)CC2)cn1 ZINC000834260129 605533299 /nfs/dbraw/zinc/53/32/99/605533299.db2.gz MKBVYZPTWIAXHJ-UHFFFAOYSA-N -1 3 351.410 3.427 20 0 FGADHM CCOC(=O)Nc1ccc(NC(=O)c2cscc2C)cc1-c1nnn[n-]1 ZINC000825545135 607761231 /nfs/dbraw/zinc/76/12/31/607761231.db2.gz MITSALZRYSZEBJ-UHFFFAOYSA-N -1 3 372.410 3.057 20 0 FGADHM CCOC(=O)Nc1ccc(NC(=O)c2cscc2C)cc1-c1nn[n-]n1 ZINC000825545135 607761232 /nfs/dbraw/zinc/76/12/32/607761232.db2.gz MITSALZRYSZEBJ-UHFFFAOYSA-N -1 3 372.410 3.057 20 0 FGADHM CCOC(=O)Nc1ccc(NC(=O)C=C2CCCCC2)cc1-c1nnn[n-]1 ZINC000825532585 607761288 /nfs/dbraw/zinc/76/12/88/607761288.db2.gz URULFTTVHJRWJO-UHFFFAOYSA-N -1 3 370.413 3.264 20 0 FGADHM CCOC(=O)Nc1ccc(NC(=O)C=C2CCCCC2)cc1-c1nn[n-]n1 ZINC000825532585 607761289 /nfs/dbraw/zinc/76/12/89/607761289.db2.gz URULFTTVHJRWJO-UHFFFAOYSA-N -1 3 370.413 3.264 20 0 FGADHM CC(C)(COc1ccc(C(F)(F)F)cn1)NCc1cc(C(=O)[O-])co1 ZINC000833462100 605559096 /nfs/dbraw/zinc/55/90/96/605559096.db2.gz XAQUQCGWHSPGBD-UHFFFAOYSA-N -1 3 358.316 3.339 20 0 FGADHM c1ccc2c(c1)[nH]c1c2CN(c2nc3ccccc3cc2-c2nnn[n-]2)CC1 ZINC000823802654 606032807 /nfs/dbraw/zinc/03/28/07/606032807.db2.gz WTXKJUGGTRWHGL-UHFFFAOYSA-N -1 3 367.416 3.459 20 0 FGADHM c1ccc2c(c1)[nH]c1c2CN(c2nc3ccccc3cc2-c2nn[n-]n2)CC1 ZINC000823802654 606032812 /nfs/dbraw/zinc/03/28/12/606032812.db2.gz WTXKJUGGTRWHGL-UHFFFAOYSA-N -1 3 367.416 3.459 20 0 FGADHM CN(Cc1nc(C(F)(F)F)cs1)c1ccc(-c2nn[n-]n2)cc1F ZINC000821617053 606043927 /nfs/dbraw/zinc/04/39/27/606043927.db2.gz UOIPJSIGXIVKFL-UHFFFAOYSA-N -1 3 358.324 3.118 20 0 FGADHM c1cnn(-c2ccccc2CNc2nc3ccccc3cc2-c2nnn[n-]2)c1 ZINC000823773494 606060485 /nfs/dbraw/zinc/06/04/85/606060485.db2.gz UEDOVRZDBVMPRE-UHFFFAOYSA-N -1 3 368.404 3.213 20 0 FGADHM c1cnn(-c2ccccc2CNc2nc3ccccc3cc2-c2nn[n-]n2)c1 ZINC000823773494 606060489 /nfs/dbraw/zinc/06/04/89/606060489.db2.gz UEDOVRZDBVMPRE-UHFFFAOYSA-N -1 3 368.404 3.213 20 0 FGADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000820529582 606104355 /nfs/dbraw/zinc/10/43/55/606104355.db2.gz QKGHZVOBVTYIQE-XJNFMUPTSA-N -1 3 369.469 3.109 20 0 FGADHM CC(C)CN(Cc1ccc(-n2ccnc2)nc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820092009 606108789 /nfs/dbraw/zinc/10/87/89/606108789.db2.gz DNBWFCFSRMVLEE-UHFFFAOYSA-N -1 3 374.452 3.110 20 0 FGADHM COc1ccc([C@@H](C)CC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821778026 606117060 /nfs/dbraw/zinc/11/70/60/606117060.db2.gz RXBADSJQMQQXIZ-KBPBESRZSA-N -1 3 365.437 3.246 20 0 FGADHM COc1ccc([C@@H](C)CC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821778026 606117062 /nfs/dbraw/zinc/11/70/62/606117062.db2.gz RXBADSJQMQQXIZ-KBPBESRZSA-N -1 3 365.437 3.246 20 0 FGADHM C[C@H]([C@@H](C)c1ccc(Cl)cc1)N(C)C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000820561887 606149111 /nfs/dbraw/zinc/14/91/11/606149111.db2.gz BIOKLHBJDCEPOZ-VXGBXAGGSA-N -1 3 370.844 3.179 20 0 FGADHM C[C@H]([C@@H](C)c1ccc(Cl)cc1)N(C)C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000820561887 606149113 /nfs/dbraw/zinc/14/91/13/606149113.db2.gz BIOKLHBJDCEPOZ-VXGBXAGGSA-N -1 3 370.844 3.179 20 0 FGADHM O=[S@@](Cc1ccc(-c2nnn[n-]2)cc1)c1cccc(C(F)(F)F)c1 ZINC000823612878 606156282 /nfs/dbraw/zinc/15/62/82/606156282.db2.gz FPNOJTRGDPEGFI-DEOSSOPVSA-N -1 3 352.341 3.193 20 0 FGADHM O=[S@@](Cc1ccc(-c2nn[n-]n2)cc1)c1cccc(C(F)(F)F)c1 ZINC000823612878 606156284 /nfs/dbraw/zinc/15/62/84/606156284.db2.gz FPNOJTRGDPEGFI-DEOSSOPVSA-N -1 3 352.341 3.193 20 0 FGADHM C[C@H](OC(=O)CCc1ccc(-c2nnn[n-]2)cc1)c1ncc(C(C)(C)C)o1 ZINC000820498173 606167379 /nfs/dbraw/zinc/16/73/79/606167379.db2.gz YXUTVIVBBNMJOK-LBPRGKRZSA-N -1 3 369.425 3.389 20 0 FGADHM C[C@H](OC(=O)CCc1ccc(-c2nn[n-]n2)cc1)c1ncc(C(C)(C)C)o1 ZINC000820498173 606167381 /nfs/dbraw/zinc/16/73/81/606167381.db2.gz YXUTVIVBBNMJOK-LBPRGKRZSA-N -1 3 369.425 3.389 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)Oc1ccc(N2CCCC2)cc1 ZINC000822935914 606182158 /nfs/dbraw/zinc/18/21/58/606182158.db2.gz PVJWGYYZAKEFHC-KPKJPENVSA-N -1 3 361.405 3.086 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)Oc1ccc(N2CCCC2)cc1 ZINC000822935914 606182159 /nfs/dbraw/zinc/18/21/59/606182159.db2.gz PVJWGYYZAKEFHC-KPKJPENVSA-N -1 3 361.405 3.086 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)CCCc1ccc(C)s1 ZINC000821699329 606185126 /nfs/dbraw/zinc/18/51/26/606185126.db2.gz MEUSMLAPSWCLCS-UHFFFAOYSA-N -1 3 358.423 3.174 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)CCCc1ccc(C)s1 ZINC000821699329 606185127 /nfs/dbraw/zinc/18/51/27/606185127.db2.gz MEUSMLAPSWCLCS-UHFFFAOYSA-N -1 3 358.423 3.174 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(C(C)C)no1 ZINC000821123237 606192814 /nfs/dbraw/zinc/19/28/14/606192814.db2.gz NMBRPGSADVULKI-UHFFFAOYSA-N -1 3 355.402 3.052 20 0 FGADHM CCN(CC(=O)Nc1sc(C)c(C)c1-c1nnn[n-]1)c1cccc(F)c1 ZINC000821170424 606200155 /nfs/dbraw/zinc/20/01/55/606200155.db2.gz QIJRYFDTVOVMNX-UHFFFAOYSA-N -1 3 374.445 3.149 20 0 FGADHM CCN(CC(=O)Nc1sc(C)c(C)c1-c1nn[n-]n1)c1cccc(F)c1 ZINC000821170424 606200156 /nfs/dbraw/zinc/20/01/56/606200156.db2.gz QIJRYFDTVOVMNX-UHFFFAOYSA-N -1 3 374.445 3.149 20 0 FGADHM C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)cn1C)c1ccc(-c2ccccc2)cc1 ZINC000820384529 606211209 /nfs/dbraw/zinc/21/12/09/606211209.db2.gz HDCUROUNYJPCJC-CQSZACIVSA-N -1 3 372.432 3.363 20 0 FGADHM C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)cn1C)c1ccc(-c2ccccc2)cc1 ZINC000820384529 606211210 /nfs/dbraw/zinc/21/12/10/606211210.db2.gz HDCUROUNYJPCJC-CQSZACIVSA-N -1 3 372.432 3.363 20 0 FGADHM CC(C)(C)n1ncc2c1CCC[C@H]2Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000819975888 606223937 /nfs/dbraw/zinc/22/39/37/606223937.db2.gz DXHKOMOYNJJYOS-CQSZACIVSA-N -1 3 355.421 3.447 20 0 FGADHM CC(C)(C)n1ncc2c1CCC[C@H]2Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000819975888 606223938 /nfs/dbraw/zinc/22/39/38/606223938.db2.gz DXHKOMOYNJJYOS-CQSZACIVSA-N -1 3 355.421 3.447 20 0 FGADHM CCN(Cc1ccc2ccccc2c1)C(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000821220537 606235447 /nfs/dbraw/zinc/23/54/47/606235447.db2.gz BGBBSAIAZMPPNC-UHFFFAOYSA-N -1 3 360.421 3.021 20 0 FGADHM CCN(Cc1ccc2ccccc2c1)C(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000821220537 606235449 /nfs/dbraw/zinc/23/54/49/606235449.db2.gz BGBBSAIAZMPPNC-UHFFFAOYSA-N -1 3 360.421 3.021 20 0 FGADHM CCN(C(=O)c1cc(-c2nnn[n-]2)cn1C)[C@@H](C)c1cc2ccccc2o1 ZINC000821154135 606235694 /nfs/dbraw/zinc/23/56/94/606235694.db2.gz KCZIJZNQXWJJBS-LBPRGKRZSA-N -1 3 364.409 3.175 20 0 FGADHM CCN(C(=O)c1cc(-c2nn[n-]n2)cn1C)[C@@H](C)c1cc2ccccc2o1 ZINC000821154135 606235695 /nfs/dbraw/zinc/23/56/95/606235695.db2.gz KCZIJZNQXWJJBS-LBPRGKRZSA-N -1 3 364.409 3.175 20 0 FGADHM COc1cccc(C(C)=CC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000821860235 606245438 /nfs/dbraw/zinc/24/54/38/606245438.db2.gz ZCXSWWLYVMODSG-DHZHZOJOSA-N -1 3 353.357 3.056 20 0 FGADHM COc1cccc(C(C)=CC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000821860235 606245440 /nfs/dbraw/zinc/24/54/40/606245440.db2.gz ZCXSWWLYVMODSG-DHZHZOJOSA-N -1 3 353.357 3.056 20 0 FGADHM O=C1[C@H](Nc2cccc(C(F)F)c2)CCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000823511490 606248997 /nfs/dbraw/zinc/24/89/97/606248997.db2.gz GGAWEKAPGDFXIZ-OAHLLOKOSA-N -1 3 370.363 3.022 20 0 FGADHM O=C1[C@H](Nc2cccc(C(F)F)c2)CCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000823511490 606248999 /nfs/dbraw/zinc/24/89/99/606248999.db2.gz GGAWEKAPGDFXIZ-OAHLLOKOSA-N -1 3 370.363 3.022 20 0 FGADHM Cc1ccc(-c2csc(NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)n2)cc1C ZINC000822214120 606249820 /nfs/dbraw/zinc/24/98/20/606249820.db2.gz QCYOZJLZUSZDQH-UHFFFAOYSA-N -1 3 365.422 3.187 20 0 FGADHM Cc1ccc(-c2csc(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)n2)cc1C ZINC000822214120 606249822 /nfs/dbraw/zinc/24/98/22/606249822.db2.gz QCYOZJLZUSZDQH-UHFFFAOYSA-N -1 3 365.422 3.187 20 0 FGADHM O=C(Nc1ccc(Oc2cccc(F)c2)cc1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823357678 606261379 /nfs/dbraw/zinc/26/13/79/606261379.db2.gz YCFKGDFRJSJIQR-UHFFFAOYSA-N -1 3 364.340 3.379 20 0 FGADHM O=C(Nc1ccc(Oc2cccc(F)c2)cc1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823357678 606261381 /nfs/dbraw/zinc/26/13/81/606261381.db2.gz YCFKGDFRJSJIQR-UHFFFAOYSA-N -1 3 364.340 3.379 20 0 FGADHM Cc1ccccc1[C@@H](NC(=O)c1cc(-c2nn[n-]n2)cn1C)C(C)(C)C ZINC000822352003 606262127 /nfs/dbraw/zinc/26/21/27/606262127.db2.gz SYGQQNXLFPWXTG-MRXNPFEDSA-N -1 3 352.442 3.031 20 0 FGADHM Cc1ccccc1[C@@H](NC(=O)c1cc(-c2nnn[n-]2)cn1C)C(C)(C)C ZINC000822352003 606262125 /nfs/dbraw/zinc/26/21/25/606262125.db2.gz SYGQQNXLFPWXTG-MRXNPFEDSA-N -1 3 352.442 3.031 20 0 FGADHM Cc1oc(-c2cccs2)nc1C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000822535202 606265104 /nfs/dbraw/zinc/26/51/04/606265104.db2.gz JLPBXVQHNHCIJL-UHFFFAOYSA-N -1 3 370.369 3.283 20 0 FGADHM Cc1oc(-c2cccs2)nc1C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000822535202 606265106 /nfs/dbraw/zinc/26/51/06/606265106.db2.gz JLPBXVQHNHCIJL-UHFFFAOYSA-N -1 3 370.369 3.283 20 0 FGADHM O=C(Nc1ccc(OCC2CCCCC2)cc1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823350421 606265693 /nfs/dbraw/zinc/26/56/93/606265693.db2.gz MFXWYJFWNYYZBY-UHFFFAOYSA-N -1 3 366.425 3.406 20 0 FGADHM O=C(Nc1ccc(OCC2CCCCC2)cc1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823350421 606265695 /nfs/dbraw/zinc/26/56/95/606265695.db2.gz MFXWYJFWNYYZBY-UHFFFAOYSA-N -1 3 366.425 3.406 20 0 FGADHM Cc1cc(C)c2cc(C(=O)Nc3ccc(F)cc3-c3nnn[n-]3)sc2n1 ZINC000822195447 606268796 /nfs/dbraw/zinc/26/87/96/606268796.db2.gz RTYIVMWZGMAKDR-UHFFFAOYSA-N -1 3 368.397 3.485 20 0 FGADHM Cc1cc(C)c2cc(C(=O)Nc3ccc(F)cc3-c3nn[n-]n3)sc2n1 ZINC000822195447 606268798 /nfs/dbraw/zinc/26/87/98/606268798.db2.gz RTYIVMWZGMAKDR-UHFFFAOYSA-N -1 3 368.397 3.485 20 0 FGADHM CC[C@H](C)Oc1ccc(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000820876881 606271703 /nfs/dbraw/zinc/27/17/03/606271703.db2.gz VMBSIFKKGIAIQR-NSHDSACASA-N -1 3 355.373 3.435 20 0 FGADHM CC[C@H](C)Oc1ccc(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000820876881 606271705 /nfs/dbraw/zinc/27/17/05/606271705.db2.gz VMBSIFKKGIAIQR-NSHDSACASA-N -1 3 355.373 3.435 20 0 FGADHM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820938501 606272574 /nfs/dbraw/zinc/27/25/74/606272574.db2.gz KMGQLDKDQAJSDJ-GHJWDPDVSA-N -1 3 361.421 3.318 20 0 FGADHM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820938501 606272575 /nfs/dbraw/zinc/27/25/75/606272575.db2.gz KMGQLDKDQAJSDJ-GHJWDPDVSA-N -1 3 361.421 3.318 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H](C)c1ccsc1 ZINC000821117814 606281152 /nfs/dbraw/zinc/28/11/52/606281152.db2.gz AOJKJPXCMLBTKY-LLVKDONJSA-N -1 3 356.455 3.492 20 0 FGADHM C[C@H](NC(=O)Cc1coc2cc(F)ccc12)c1cccc(-c2nnn[n-]2)c1 ZINC000820333825 606289428 /nfs/dbraw/zinc/28/94/28/606289428.db2.gz GZCOUDFINMDCDX-NSHDSACASA-N -1 3 365.368 3.172 20 0 FGADHM C[C@H](NC(=O)Cc1coc2cc(F)ccc12)c1cccc(-c2nn[n-]n2)c1 ZINC000820333825 606289430 /nfs/dbraw/zinc/28/94/30/606289430.db2.gz GZCOUDFINMDCDX-NSHDSACASA-N -1 3 365.368 3.172 20 0 FGADHM COc1cc2c(cc1NC(=O)c1cc(-c3nnn[n-]3)c[nH]1)oc1ccccc12 ZINC000821728231 606314022 /nfs/dbraw/zinc/31/40/22/606314022.db2.gz RZPPSOMZDLPBIY-UHFFFAOYSA-N -1 3 374.360 3.355 20 0 FGADHM COc1cc2c(cc1NC(=O)c1cc(-c3nn[n-]n3)c[nH]1)oc1ccccc12 ZINC000821728231 606314023 /nfs/dbraw/zinc/31/40/23/606314023.db2.gz RZPPSOMZDLPBIY-UHFFFAOYSA-N -1 3 374.360 3.355 20 0 FGADHM C[C@@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccc(F)cc1F ZINC000820556047 606325048 /nfs/dbraw/zinc/32/50/48/606325048.db2.gz RAMPNCKHCBUNAC-SECBINFHSA-N -1 3 361.377 3.264 20 0 FGADHM C[C@@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccc(F)cc1F ZINC000820556047 606325050 /nfs/dbraw/zinc/32/50/50/606325050.db2.gz RAMPNCKHCBUNAC-SECBINFHSA-N -1 3 361.377 3.264 20 0 FGADHM CCN(C(=O)[C@@H](C)Sc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000821148746 606325861 /nfs/dbraw/zinc/32/58/61/606325861.db2.gz PBXUNBUTPMFGNF-CYBMUJFWSA-N -1 3 353.451 3.400 20 0 FGADHM CCN(C(=O)[C@@H](C)Sc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000821148746 606325862 /nfs/dbraw/zinc/32/58/62/606325862.db2.gz PBXUNBUTPMFGNF-CYBMUJFWSA-N -1 3 353.451 3.400 20 0 FGADHM C[C@@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)N1c2ccccc2C[C@H]1C ZINC000820556682 606327146 /nfs/dbraw/zinc/32/71/46/606327146.db2.gz VJHHBAZLEYVFDR-CHWSQXEVSA-N -1 3 365.462 3.325 20 0 FGADHM C[C@@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)N1c2ccccc2C[C@H]1C ZINC000820556682 606327149 /nfs/dbraw/zinc/32/71/49/606327149.db2.gz VJHHBAZLEYVFDR-CHWSQXEVSA-N -1 3 365.462 3.325 20 0 FGADHM CCCC(CCC)SCCS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821016789 606329173 /nfs/dbraw/zinc/32/91/73/606329173.db2.gz ZVZYRPPVBNXBPX-UHFFFAOYSA-N -1 3 368.528 3.342 20 0 FGADHM CCCC(CCC)SCCS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821016789 606329175 /nfs/dbraw/zinc/32/91/75/606329175.db2.gz ZVZYRPPVBNXBPX-UHFFFAOYSA-N -1 3 368.528 3.342 20 0 FGADHM Cc1ccnn1-c1ccc(C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822379210 606339758 /nfs/dbraw/zinc/33/97/58/606339758.db2.gz MESKSDCBGRQEEP-CQSZACIVSA-N -1 3 374.404 3.279 20 0 FGADHM Cc1ccnn1-c1ccc(C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822379210 606339760 /nfs/dbraw/zinc/33/97/60/606339760.db2.gz MESKSDCBGRQEEP-CQSZACIVSA-N -1 3 374.404 3.279 20 0 FGADHM C[C@@H]1c2c(F)cccc2CCN1C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820819375 606346983 /nfs/dbraw/zinc/34/69/83/606346983.db2.gz IBTXNGBZUFVWKE-SNVBAGLBSA-N -1 3 370.363 3.296 20 0 FGADHM C[C@@H]1c2c(F)cccc2CCN1C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820819375 606346985 /nfs/dbraw/zinc/34/69/85/606346985.db2.gz IBTXNGBZUFVWKE-SNVBAGLBSA-N -1 3 370.363 3.296 20 0 FGADHM COc1ccc(F)cc1[C@@H](C)NC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000821828077 606356106 /nfs/dbraw/zinc/35/61/06/606356106.db2.gz PKZZMSFUDXXAPL-SECBINFHSA-N -1 3 374.351 3.036 20 0 FGADHM COc1ccc(F)cc1[C@@H](C)NC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000821828077 606356107 /nfs/dbraw/zinc/35/61/07/606356107.db2.gz PKZZMSFUDXXAPL-SECBINFHSA-N -1 3 374.351 3.036 20 0 FGADHM C[C@@H](Cc1ccccc1F)C(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820299218 606358707 /nfs/dbraw/zinc/35/87/07/606358707.db2.gz DZIQKFRMRDXWEJ-STQMWFEESA-N -1 3 354.385 3.489 20 0 FGADHM C[C@@H](Cc1ccccc1F)C(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820299218 606358708 /nfs/dbraw/zinc/35/87/08/606358708.db2.gz DZIQKFRMRDXWEJ-STQMWFEESA-N -1 3 354.385 3.489 20 0 FGADHM C[C@H]1CC(C)(C)CC[C@H]1NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000820649105 606364044 /nfs/dbraw/zinc/36/40/44/606364044.db2.gz IMKJBBBPDXEIQC-SWLSCSKDSA-N -1 3 359.499 3.290 20 0 FGADHM C[C@H]1CC(C)(C)CC[C@H]1NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000820649105 606364045 /nfs/dbraw/zinc/36/40/45/606364045.db2.gz IMKJBBBPDXEIQC-SWLSCSKDSA-N -1 3 359.499 3.290 20 0 FGADHM CC[C@@H](Oc1ccccc1Cl)C(=O)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000820938227 606395057 /nfs/dbraw/zinc/39/50/57/606395057.db2.gz HMMYTVOYUQYZFF-OAHLLOKOSA-N -1 3 372.812 3.421 20 0 FGADHM CC[C@@H](Oc1ccccc1Cl)C(=O)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000820938227 606395059 /nfs/dbraw/zinc/39/50/59/606395059.db2.gz HMMYTVOYUQYZFF-OAHLLOKOSA-N -1 3 372.812 3.421 20 0 FGADHM C[C@@H](OC(=O)c1c(Cl)nc2ccccn21)c1ccc(-c2nnn[n-]2)cc1 ZINC000820502819 606397463 /nfs/dbraw/zinc/39/74/63/606397463.db2.gz WDEXKUGTXGIDRN-SNVBAGLBSA-N -1 3 368.784 3.086 20 0 FGADHM C[C@@H](OC(=O)c1c(Cl)nc2ccccn21)c1ccc(-c2nn[n-]n2)cc1 ZINC000820502819 606397465 /nfs/dbraw/zinc/39/74/65/606397465.db2.gz WDEXKUGTXGIDRN-SNVBAGLBSA-N -1 3 368.784 3.086 20 0 FGADHM C[C@@H](OC(=O)c1cc2cc(F)ccc2[nH]1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820506850 606398051 /nfs/dbraw/zinc/39/80/51/606398051.db2.gz CPFHIYAIDHURSO-SNVBAGLBSA-N -1 3 351.341 3.405 20 0 FGADHM C[C@@H](OC(=O)c1cc2cc(F)ccc2[nH]1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820506850 606398052 /nfs/dbraw/zinc/39/80/52/606398052.db2.gz CPFHIYAIDHURSO-SNVBAGLBSA-N -1 3 351.341 3.405 20 0 FGADHM CCc1ccc(CC)c(NCC(=O)Nc2cccc(-c3nnn[n-]3)c2)c1 ZINC000821483084 606414318 /nfs/dbraw/zinc/41/43/18/606414318.db2.gz XCAUQJMLUHGRHX-UHFFFAOYSA-N -1 3 350.426 3.042 20 0 FGADHM CCc1ccc(CC)c(NCC(=O)Nc2cccc(-c3nn[n-]n3)c2)c1 ZINC000821483084 606414321 /nfs/dbraw/zinc/41/43/21/606414321.db2.gz XCAUQJMLUHGRHX-UHFFFAOYSA-N -1 3 350.426 3.042 20 0 FGADHM CC(C)[C@H]1OCCC[C@H]1CNc1nc2ccccc2cc1-c1nnn[n-]1 ZINC000820051364 606426734 /nfs/dbraw/zinc/42/67/34/606426734.db2.gz NZYXQHJXXLDMRM-WMLDXEAASA-N -1 3 352.442 3.278 20 0 FGADHM CC(C)[C@H]1OCCC[C@H]1CNc1nc2ccccc2cc1-c1nn[n-]n1 ZINC000820051364 606426736 /nfs/dbraw/zinc/42/67/36/606426736.db2.gz NZYXQHJXXLDMRM-WMLDXEAASA-N -1 3 352.442 3.278 20 0 FGADHM CC(C)[C@@H]1OCCC[C@@H]1CNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000820051276 606426905 /nfs/dbraw/zinc/42/69/05/606426905.db2.gz MFDDVZQRKBCGNI-MFKMUULPSA-N -1 3 370.379 3.144 20 0 FGADHM CC(C)[C@@H]1OCCC[C@@H]1CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000820051276 606426907 /nfs/dbraw/zinc/42/69/07/606426907.db2.gz MFDDVZQRKBCGNI-MFKMUULPSA-N -1 3 370.379 3.144 20 0 FGADHM C[C@@H]1CCCN1C(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000820708936 606438160 /nfs/dbraw/zinc/43/81/60/606438160.db2.gz ABOYOZQXLOOHBD-CQSZACIVSA-N -1 3 363.421 3.070 20 0 FGADHM C[C@@H]1CCCN1C(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000820708936 606438162 /nfs/dbraw/zinc/43/81/62/606438162.db2.gz ABOYOZQXLOOHBD-CQSZACIVSA-N -1 3 363.421 3.070 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N1CCC(c2ccc(F)cc2)CC1 ZINC000823309095 606439233 /nfs/dbraw/zinc/43/92/33/606439233.db2.gz SCJWXNVXOREZQI-UHFFFAOYSA-N -1 3 366.400 3.417 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N1CCC(c2ccc(F)cc2)CC1 ZINC000823309095 606439235 /nfs/dbraw/zinc/43/92/35/606439235.db2.gz SCJWXNVXOREZQI-UHFFFAOYSA-N -1 3 366.400 3.417 20 0 FGADHM O=C(OCCc1ccccc1C(F)(F)F)c1cc(-c2nnn[n-]2)cs1 ZINC000823410496 606465455 /nfs/dbraw/zinc/46/54/55/606465455.db2.gz XTAWNGOBWGASSV-UHFFFAOYSA-N -1 3 368.340 3.347 20 0 FGADHM O=C(OCCc1ccccc1C(F)(F)F)c1cc(-c2nn[n-]n2)cs1 ZINC000823410496 606465457 /nfs/dbraw/zinc/46/54/57/606465457.db2.gz XTAWNGOBWGASSV-UHFFFAOYSA-N -1 3 368.340 3.347 20 0 FGADHM C[C@H](N(C)C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C1(C)CC1 ZINC000820308760 606472222 /nfs/dbraw/zinc/47/22/22/606472222.db2.gz XTUSEROVWQOYIT-VIFPVBQESA-N -1 3 350.879 3.337 20 0 FGADHM C[C@H](N(C)C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C1(C)CC1 ZINC000820308760 606472224 /nfs/dbraw/zinc/47/22/24/606472224.db2.gz XTUSEROVWQOYIT-VIFPVBQESA-N -1 3 350.879 3.337 20 0 FGADHM C[C@H](NC(=O)c1cc(-c2nnn[n-]2)cs1)c1ccc(OC(F)F)cc1 ZINC000820389917 606488490 /nfs/dbraw/zinc/48/84/90/606488490.db2.gz BPEKUDNKIVBVRC-QMMMGPOBSA-N -1 3 365.365 3.021 20 0 FGADHM C[C@H](NC(=O)c1cc(-c2nn[n-]n2)cs1)c1ccc(OC(F)F)cc1 ZINC000820389917 606488491 /nfs/dbraw/zinc/48/84/91/606488491.db2.gz BPEKUDNKIVBVRC-QMMMGPOBSA-N -1 3 365.365 3.021 20 0 FGADHM O=C(NCc1ccccc1OC1CCCC1)c1cc(-c2nnn[n-]2)cs1 ZINC000823261682 606495909 /nfs/dbraw/zinc/49/59/09/606495909.db2.gz QBVXNKFLMGTRSD-UHFFFAOYSA-N -1 3 369.450 3.180 20 0 FGADHM O=C(NCc1ccccc1OC1CCCC1)c1cc(-c2nn[n-]n2)cs1 ZINC000823261682 606495912 /nfs/dbraw/zinc/49/59/12/606495912.db2.gz QBVXNKFLMGTRSD-UHFFFAOYSA-N -1 3 369.450 3.180 20 0 FGADHM O=C(Nc1cc(Br)ccc1F)c1cc(-c2nnn[n-]2)cs1 ZINC000823299085 606497681 /nfs/dbraw/zinc/49/76/81/606497681.db2.gz GSNYKNSPMJUEHA-UHFFFAOYSA-N -1 3 368.191 3.082 20 0 FGADHM O=C(Nc1cc(Br)ccc1F)c1cc(-c2nn[n-]n2)cs1 ZINC000823299085 606497683 /nfs/dbraw/zinc/49/76/83/606497683.db2.gz GSNYKNSPMJUEHA-UHFFFAOYSA-N -1 3 368.191 3.082 20 0 FGADHM C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820563045 606500921 /nfs/dbraw/zinc/50/09/21/606500921.db2.gz MCCFKZSUJKCXMN-LBPRGKRZSA-N -1 3 355.829 3.282 20 0 FGADHM C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820563045 606500923 /nfs/dbraw/zinc/50/09/23/606500923.db2.gz MCCFKZSUJKCXMN-LBPRGKRZSA-N -1 3 355.829 3.282 20 0 FGADHM C[C@H](C1CC1)N(Cc1ccccc1)C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820219884 606501130 /nfs/dbraw/zinc/50/11/30/606501130.db2.gz KUTICEFLGKQYRH-OAHLLOKOSA-N -1 3 361.449 3.237 20 0 FGADHM C[C@H](C1CC1)N(Cc1ccccc1)C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820219884 606501131 /nfs/dbraw/zinc/50/11/31/606501131.db2.gz KUTICEFLGKQYRH-OAHLLOKOSA-N -1 3 361.449 3.237 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1ccc(OC2CCCC2)cc1 ZINC000823103313 606502304 /nfs/dbraw/zinc/50/23/04/606502304.db2.gz FBXXRAUYFHLNFA-UHFFFAOYSA-N -1 3 363.421 3.369 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1ccc(OC2CCCC2)cc1 ZINC000823103313 606502306 /nfs/dbraw/zinc/50/23/06/606502306.db2.gz FBXXRAUYFHLNFA-UHFFFAOYSA-N -1 3 363.421 3.369 20 0 FGADHM Cc1cccc(C2(NC(=O)c3cc(-c4nnn[n-]4)cs3)CCCC2)c1 ZINC000822299399 606506692 /nfs/dbraw/zinc/50/66/92/606506692.db2.gz HNLMCNPKZVNNSC-UHFFFAOYSA-N -1 3 353.451 3.436 20 0 FGADHM Cc1cccc(C2(NC(=O)c3cc(-c4nn[n-]n4)cs3)CCCC2)c1 ZINC000822299399 606506693 /nfs/dbraw/zinc/50/66/93/606506693.db2.gz HNLMCNPKZVNNSC-UHFFFAOYSA-N -1 3 353.451 3.436 20 0 FGADHM CCN(C(=O)c1cc(-c2nnn[n-]2)cs1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000821155490 606510511 /nfs/dbraw/zinc/51/05/11/606510511.db2.gz ZUMXCXUOAPUXOJ-LBPRGKRZSA-N -1 3 371.466 3.030 20 0 FGADHM CCN(C(=O)c1cc(-c2nn[n-]n2)cs1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000821155490 606510513 /nfs/dbraw/zinc/51/05/13/606510513.db2.gz ZUMXCXUOAPUXOJ-LBPRGKRZSA-N -1 3 371.466 3.030 20 0 FGADHM Cc1c2ccccc2oc1[C@@H](C)NC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000822021080 606513777 /nfs/dbraw/zinc/51/37/77/606513777.db2.gz UUILGOBQIOXZQV-CYBMUJFWSA-N -1 3 361.405 3.341 20 0 FGADHM Cc1c2ccccc2oc1[C@@H](C)NC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000822021080 606513779 /nfs/dbraw/zinc/51/37/79/606513779.db2.gz UUILGOBQIOXZQV-CYBMUJFWSA-N -1 3 361.405 3.341 20 0 FGADHM CCc1ccc([C@@H]2CCCCN2C(=O)c2cc(-c3nnn[n-]3)cs2)o1 ZINC000821481066 606516487 /nfs/dbraw/zinc/51/64/87/606516487.db2.gz HSMKENBNOFZBTK-ZDUSSCGKSA-N -1 3 357.439 3.451 20 0 FGADHM CCc1ccc([C@@H]2CCCCN2C(=O)c2cc(-c3nn[n-]n3)cs2)o1 ZINC000821481066 606516488 /nfs/dbraw/zinc/51/64/88/606516488.db2.gz HSMKENBNOFZBTK-ZDUSSCGKSA-N -1 3 357.439 3.451 20 0 FGADHM O=C(N[C@@H]1C[C@@H]1c1c(F)cccc1Cl)c1cc(-c2nnn[n-]2)cs1 ZINC000823145285 606516844 /nfs/dbraw/zinc/51/68/44/606516844.db2.gz PZIGRMXUMNKURQ-GZMMTYOYSA-N -1 3 363.805 3.007 20 0 FGADHM O=C(N[C@@H]1C[C@@H]1c1c(F)cccc1Cl)c1cc(-c2nn[n-]n2)cs1 ZINC000823145285 606516846 /nfs/dbraw/zinc/51/68/46/606516846.db2.gz PZIGRMXUMNKURQ-GZMMTYOYSA-N -1 3 363.805 3.007 20 0 FGADHM CC[C@H](C)Oc1ccc(NC(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000820875444 606532419 /nfs/dbraw/zinc/53/24/19/606532419.db2.gz AICZBTFTFFAEGY-ZDUSSCGKSA-N -1 3 351.410 3.225 20 0 FGADHM CC[C@H](C)Oc1ccc(NC(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000820875444 606532420 /nfs/dbraw/zinc/53/24/20/606532420.db2.gz AICZBTFTFFAEGY-ZDUSSCGKSA-N -1 3 351.410 3.225 20 0 FGADHM CC[C@H](C)Oc1cccc(NC(=O)Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC000820876704 606534530 /nfs/dbraw/zinc/53/45/30/606534530.db2.gz SDOZLMURMSBVNR-ZDUSSCGKSA-N -1 3 351.410 3.225 20 0 FGADHM CC[C@H](C)Oc1cccc(NC(=O)Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC000820876704 606534532 /nfs/dbraw/zinc/53/45/32/606534532.db2.gz SDOZLMURMSBVNR-ZDUSSCGKSA-N -1 3 351.410 3.225 20 0 FGADHM O=C(c1cc(-c2nnn[n-]2)cs1)N1CCC[C@H]1Cc1ccccc1Cl ZINC000823472158 606539564 /nfs/dbraw/zinc/53/95/64/606539564.db2.gz BVKKSESPUVIZTF-ZDUSSCGKSA-N -1 3 373.869 3.429 20 0 FGADHM O=C(c1cc(-c2nn[n-]n2)cs1)N1CCC[C@H]1Cc1ccccc1Cl ZINC000823472158 606539566 /nfs/dbraw/zinc/53/95/66/606539566.db2.gz BVKKSESPUVIZTF-ZDUSSCGKSA-N -1 3 373.869 3.429 20 0 FGADHM Cc1ccc(C[C@@H]2CCCN(C(=O)c3cc(-c4nnn[n-]4)cs3)C2)cc1 ZINC000822234714 606540576 /nfs/dbraw/zinc/54/05/76/606540576.db2.gz FLHDCDWBTRXAFF-HNNXBMFYSA-N -1 3 367.478 3.332 20 0 FGADHM Cc1ccc(C[C@@H]2CCCN(C(=O)c3cc(-c4nn[n-]n4)cs3)C2)cc1 ZINC000822234714 606540578 /nfs/dbraw/zinc/54/05/78/606540578.db2.gz FLHDCDWBTRXAFF-HNNXBMFYSA-N -1 3 367.478 3.332 20 0 FGADHM Cc1ccccc1C[C@@H]1CCCN1C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000822356004 606541662 /nfs/dbraw/zinc/54/16/62/606541662.db2.gz FZDZIQSCCBITOS-HNNXBMFYSA-N -1 3 353.451 3.084 20 0 FGADHM Cc1ccccc1C[C@@H]1CCCN1C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000822356004 606541663 /nfs/dbraw/zinc/54/16/63/606541663.db2.gz FZDZIQSCCBITOS-HNNXBMFYSA-N -1 3 353.451 3.084 20 0 FGADHM O=C(Nc1ccc(Oc2ccncc2)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823355925 606541806 /nfs/dbraw/zinc/54/18/06/606541806.db2.gz GCETYRBOOLVWTI-UHFFFAOYSA-N -1 3 364.390 3.368 20 0 FGADHM O=C(OCc1ccc(OC(F)(F)F)cc1)c1cc(-c2nnn[n-]2)cs1 ZINC000823426841 606566501 /nfs/dbraw/zinc/56/65/01/606566501.db2.gz NYCIQOYUEXUOSI-UHFFFAOYSA-N -1 3 370.312 3.184 20 0 FGADHM O=C(OCc1ccc(OC(F)(F)F)cc1)c1cc(-c2nn[n-]n2)cs1 ZINC000823426841 606566502 /nfs/dbraw/zinc/56/65/02/606566502.db2.gz NYCIQOYUEXUOSI-UHFFFAOYSA-N -1 3 370.312 3.184 20 0 FGADHM Cc1ccccc1-c1cnc(COC(=O)c2cc(-c3nnn[n-]3)cs2)o1 ZINC000822345637 606570718 /nfs/dbraw/zinc/57/07/18/606570718.db2.gz NPZZBYYTYCHBID-UHFFFAOYSA-N -1 3 367.390 3.249 20 0 FGADHM Cc1ccccc1-c1cnc(COC(=O)c2cc(-c3nn[n-]n3)cs2)o1 ZINC000822345637 606570719 /nfs/dbraw/zinc/57/07/19/606570719.db2.gz NPZZBYYTYCHBID-UHFFFAOYSA-N -1 3 367.390 3.249 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)C1(Cc2ccccc2)CC1 ZINC000823426599 606571345 /nfs/dbraw/zinc/57/13/45/606571345.db2.gz LNLMRXZLCBOKIK-UHFFFAOYSA-N -1 3 352.369 3.072 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)C1(Cc2ccccc2)CC1 ZINC000823426599 606571347 /nfs/dbraw/zinc/57/13/47/606571347.db2.gz LNLMRXZLCBOKIK-UHFFFAOYSA-N -1 3 352.369 3.072 20 0 FGADHM C[C@H]1CN(C(=O)Cc2cccc(-c3nnn[n-]3)c2)CC[C@@H]1c1ccccc1 ZINC000820733021 606574456 /nfs/dbraw/zinc/57/44/56/606574456.db2.gz CCGWAFKEKZXYTB-KXBFYZLASA-N -1 3 361.449 3.061 20 0 FGADHM C[C@H]1CN(C(=O)Cc2cccc(-c3nn[n-]n3)c2)CC[C@@H]1c1ccccc1 ZINC000820733021 606574457 /nfs/dbraw/zinc/57/44/57/606574457.db2.gz CCGWAFKEKZXYTB-KXBFYZLASA-N -1 3 361.449 3.061 20 0 FGADHM C[C@H](NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(F)cc1F ZINC000736114990 606575086 /nfs/dbraw/zinc/57/50/86/606575086.db2.gz FYLPPEXXUYKJBK-QMMMGPOBSA-N -1 3 362.315 3.167 20 0 FGADHM C[C@H](NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(F)cc1F ZINC000736114990 606575087 /nfs/dbraw/zinc/57/50/87/606575087.db2.gz FYLPPEXXUYKJBK-QMMMGPOBSA-N -1 3 362.315 3.167 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1O[C@H](C)c1nc(-c2ccccc2)no1 ZINC000821700803 606587389 /nfs/dbraw/zinc/58/73/89/606587389.db2.gz YUHNUNVIISNGKZ-LLVKDONJSA-N -1 3 364.365 3.065 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1O[C@H](C)c1nc(-c2ccccc2)no1 ZINC000821700803 606587391 /nfs/dbraw/zinc/58/73/91/606587391.db2.gz YUHNUNVIISNGKZ-LLVKDONJSA-N -1 3 364.365 3.065 20 0 FGADHM CN(C)C(=O)Sc1cccc(CSc2ccc(-c3nnn[n-]3)cn2)c1 ZINC000821577872 606589493 /nfs/dbraw/zinc/58/94/93/606589493.db2.gz ARNWIZAZZOVOLJ-UHFFFAOYSA-N -1 3 372.479 3.328 20 0 FGADHM CN(C)C(=O)Sc1cccc(CSc2ccc(-c3nn[n-]n3)cn2)c1 ZINC000821577872 606589494 /nfs/dbraw/zinc/58/94/94/606589494.db2.gz ARNWIZAZZOVOLJ-UHFFFAOYSA-N -1 3 372.479 3.328 20 0 FGADHM Fc1ccc(F)c(NCc2ccc(-c3nnn[n-]3)cc2OC(F)F)c1 ZINC000822775302 606598013 /nfs/dbraw/zinc/59/80/13/606598013.db2.gz UWIIFHSAHLKMSF-UHFFFAOYSA-N -1 3 353.279 3.358 20 0 FGADHM Fc1ccc(F)c(NCc2ccc(-c3nn[n-]n3)cc2OC(F)F)c1 ZINC000822775302 606598015 /nfs/dbraw/zinc/59/80/15/606598015.db2.gz UWIIFHSAHLKMSF-UHFFFAOYSA-N -1 3 353.279 3.358 20 0 FGADHM Cc1cc(NC(=O)Cc2cccc(-c3nnn[n-]3)c2)ccc1C(F)(F)F ZINC000822208332 606598340 /nfs/dbraw/zinc/59/83/40/606598340.db2.gz NCLWHSSEHIWODG-UHFFFAOYSA-N -1 3 361.327 3.375 20 0 FGADHM Cc1cc(NC(=O)Cc2cccc(-c3nn[n-]n3)c2)ccc1C(F)(F)F ZINC000822208332 606598343 /nfs/dbraw/zinc/59/83/43/606598343.db2.gz NCLWHSSEHIWODG-UHFFFAOYSA-N -1 3 361.327 3.375 20 0 FGADHM FC(F)Oc1cc(-c2nnn[n-]2)ccc1CSCC1CCOCC1 ZINC000822732911 606598842 /nfs/dbraw/zinc/59/88/42/606598842.db2.gz OKSJLDOGSGFUAO-UHFFFAOYSA-N -1 3 356.398 3.128 20 0 FGADHM FC(F)Oc1cc(-c2nn[n-]n2)ccc1CSCC1CCOCC1 ZINC000822732911 606598843 /nfs/dbraw/zinc/59/88/43/606598843.db2.gz OKSJLDOGSGFUAO-UHFFFAOYSA-N -1 3 356.398 3.128 20 0 FGADHM OCCC1(CNc2cc(-c3nnn[n-]3)c3ccccc3n2)CCCCC1 ZINC000823718712 606610461 /nfs/dbraw/zinc/61/04/61/606610461.db2.gz YTRNWNXXCQRQNI-UHFFFAOYSA-N -1 3 352.442 3.160 20 0 FGADHM OCCC1(CNc2cc(-c3nn[n-]n3)c3ccccc3n2)CCCCC1 ZINC000823718712 606610463 /nfs/dbraw/zinc/61/04/63/606610463.db2.gz YTRNWNXXCQRQNI-UHFFFAOYSA-N -1 3 352.442 3.160 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@@H](C)c1ccc(Cl)s1 ZINC000821699364 606624956 /nfs/dbraw/zinc/62/49/56/606624956.db2.gz NPCWAZYHBZRKOX-QMMMGPOBSA-N -1 3 364.814 3.299 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@@H](C)c1ccc(Cl)s1 ZINC000821699364 606624959 /nfs/dbraw/zinc/62/49/59/606624959.db2.gz NPCWAZYHBZRKOX-QMMMGPOBSA-N -1 3 364.814 3.299 20 0 FGADHM S=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000823732254 606627023 /nfs/dbraw/zinc/62/70/23/606627023.db2.gz JQPNNMIZBALNFU-PHIMTYICSA-N -1 3 362.890 3.339 20 0 FGADHM S=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000823732254 606627025 /nfs/dbraw/zinc/62/70/25/606627025.db2.gz JQPNNMIZBALNFU-PHIMTYICSA-N -1 3 362.890 3.339 20 0 FGADHM C[C@H]1CCC[C@H](C)N1C(=O)CSc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000820697513 606628355 /nfs/dbraw/zinc/62/83/55/606628355.db2.gz IDQRNGDJNSTHOF-QWRGUYRKSA-N -1 3 365.890 3.402 20 0 FGADHM C[C@H]1CCC[C@H](C)N1C(=O)CSc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000820697513 606628357 /nfs/dbraw/zinc/62/83/57/606628357.db2.gz IDQRNGDJNSTHOF-QWRGUYRKSA-N -1 3 365.890 3.402 20 0 FGADHM Cc1ccc(N=C2NN=C(c3ccc(-c4nnn[n-]4)cc3)CS2)cc1C ZINC000822254520 606630368 /nfs/dbraw/zinc/63/03/68/606630368.db2.gz LZBVFHSIYKHUKU-UHFFFAOYSA-N -1 3 363.450 3.403 20 0 FGADHM Cc1ccc(N=C2NN=C(c3ccc(-c4nn[n-]n4)cc3)CS2)cc1C ZINC000822254520 606630371 /nfs/dbraw/zinc/63/03/71/606630371.db2.gz LZBVFHSIYKHUKU-UHFFFAOYSA-N -1 3 363.450 3.403 20 0 FGADHM CN(Cc1ccccc1Cl)C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821614335 606662073 /nfs/dbraw/zinc/66/20/73/606662073.db2.gz ATEURUVMTCACKX-UHFFFAOYSA-N -1 3 363.755 3.071 20 0 FGADHM CN(Cc1ccccc1Cl)C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821614335 606662074 /nfs/dbraw/zinc/66/20/74/606662074.db2.gz ATEURUVMTCACKX-UHFFFAOYSA-N -1 3 363.755 3.071 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[C@H]1C[C@H]1Cc1ccccc1 ZINC000823303880 606665682 /nfs/dbraw/zinc/66/56/82/606665682.db2.gz XOZSCQWSIJWGMN-DOMZBBRYSA-N -1 3 353.813 3.337 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)[C@H]1C[C@H]1Cc1ccccc1 ZINC000823303880 606665683 /nfs/dbraw/zinc/66/56/83/606665683.db2.gz XOZSCQWSIJWGMN-DOMZBBRYSA-N -1 3 353.813 3.337 20 0 FGADHM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820685751 606671911 /nfs/dbraw/zinc/67/19/11/606671911.db2.gz VBRPNJWNRKLWLG-IFUGULHKSA-N -1 3 363.412 3.336 20 0 FGADHM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820685751 606671912 /nfs/dbraw/zinc/67/19/12/606671912.db2.gz VBRPNJWNRKLWLG-IFUGULHKSA-N -1 3 363.412 3.336 20 0 FGADHM O=C(N[C@@H]1CCCCc2ccccc21)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823150875 606676398 /nfs/dbraw/zinc/67/63/98/606676398.db2.gz VAPJRTFCNRLCKZ-MRXNPFEDSA-N -1 3 369.375 3.342 20 0 FGADHM O=C(N[C@@H]1CCCCc2ccccc21)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823150875 606676399 /nfs/dbraw/zinc/67/63/99/606676399.db2.gz VAPJRTFCNRLCKZ-MRXNPFEDSA-N -1 3 369.375 3.342 20 0 FGADHM Cc1ccc(C[C@@H](C)NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c(C)c1 ZINC000822235261 606678485 /nfs/dbraw/zinc/67/84/85/606678485.db2.gz ZBMTZOOONYBOKB-GFCCVEGCSA-N -1 3 371.391 3.123 20 0 FGADHM Cc1ccc(C[C@@H](C)NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c(C)c1 ZINC000822235261 606678486 /nfs/dbraw/zinc/67/84/86/606678486.db2.gz ZBMTZOOONYBOKB-GFCCVEGCSA-N -1 3 371.391 3.123 20 0 FGADHM O=C(Nc1ccc(OCC2CC2)cc1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823350460 606679417 /nfs/dbraw/zinc/67/94/17/606679417.db2.gz NVMYZKLYPNXOMM-UHFFFAOYSA-N -1 3 371.347 3.186 20 0 FGADHM O=C(Nc1ccc(OCC2CC2)cc1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823350460 606679418 /nfs/dbraw/zinc/67/94/18/606679418.db2.gz NVMYZKLYPNXOMM-UHFFFAOYSA-N -1 3 371.347 3.186 20 0 FGADHM Cc1ccc([C@H](C)NC(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)cc1F ZINC000822228974 606680435 /nfs/dbraw/zinc/68/04/35/606680435.db2.gz JWFSVOBOLFHXHM-ZDUSSCGKSA-N -1 3 368.416 3.217 20 0 FGADHM Cc1ccc([C@H](C)NC(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)cc1F ZINC000822228974 606680436 /nfs/dbraw/zinc/68/04/36/606680436.db2.gz JWFSVOBOLFHXHM-ZDUSSCGKSA-N -1 3 368.416 3.217 20 0 FGADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@@H](C)c1cc(F)cc(F)c1 ZINC000820530205 606686573 /nfs/dbraw/zinc/68/65/73/606686573.db2.gz XVSAULSOSLVVBP-QWRGUYRKSA-N -1 3 374.347 3.217 20 0 FGADHM Cc1ccc([C@@H](C)NC(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1F ZINC000822229342 606692981 /nfs/dbraw/zinc/69/29/81/606692981.db2.gz RZHJKEMJECBPET-ASCRHOAZSA-N -1 3 351.385 3.205 20 0 FGADHM Cc1ccc([C@@H](C)NC(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1F ZINC000822229342 606692982 /nfs/dbraw/zinc/69/29/82/606692982.db2.gz RZHJKEMJECBPET-ASCRHOAZSA-N -1 3 351.385 3.205 20 0 FGADHM CC(C)[C@H]1CCN(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C1 ZINC000820039502 606696902 /nfs/dbraw/zinc/69/69/02/606696902.db2.gz YHARDUWIZRTISE-JTQLQIEISA-N -1 3 368.363 3.395 20 0 FGADHM CC(C)[C@H]1CCN(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C1 ZINC000820039502 606696903 /nfs/dbraw/zinc/69/69/03/606696903.db2.gz YHARDUWIZRTISE-JTQLQIEISA-N -1 3 368.363 3.395 20 0 FGADHM Fc1ccc(Cl)c(NCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)c1 ZINC000822774533 606703534 /nfs/dbraw/zinc/70/35/34/606703534.db2.gz LMHWBMAWZVYVOK-UHFFFAOYSA-N -1 3 371.763 3.321 20 0 FGADHM Fc1ccc(Cl)c(NCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)c1 ZINC000822774533 606703536 /nfs/dbraw/zinc/70/35/36/606703536.db2.gz LMHWBMAWZVYVOK-UHFFFAOYSA-N -1 3 371.763 3.321 20 0 FGADHM C[C@@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)c1noc(-c2ccccc2)n1 ZINC000820460995 606725539 /nfs/dbraw/zinc/72/55/39/606725539.db2.gz DIIVSEDWJPFUMC-SECBINFHSA-N -1 3 368.788 3.138 20 0 FGADHM C[C@@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)c1noc(-c2ccccc2)n1 ZINC000820460995 606725540 /nfs/dbraw/zinc/72/55/40/606725540.db2.gz DIIVSEDWJPFUMC-SECBINFHSA-N -1 3 368.788 3.138 20 0 FGADHM COCCCOc1cc(C)ccc1CNc1ccc(F)cc1-c1nnn[n-]1 ZINC000821688483 606726540 /nfs/dbraw/zinc/72/65/40/606726540.db2.gz MLJDMJQLIKWQAA-UHFFFAOYSA-N -1 3 371.416 3.342 20 0 FGADHM COCCCOc1cc(C)ccc1CNc1ccc(F)cc1-c1nn[n-]n1 ZINC000821688483 606726541 /nfs/dbraw/zinc/72/65/41/606726541.db2.gz MLJDMJQLIKWQAA-UHFFFAOYSA-N -1 3 371.416 3.342 20 0 FGADHM CC(C)CC[C@@H]1CCCCN1C(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000820072690 606746236 /nfs/dbraw/zinc/74/62/36/606746236.db2.gz KRKKPPMLYQYQET-INIZCTEOSA-N -1 3 357.458 3.063 20 0 FGADHM C[C@@H](OC(=O)CCSc1ccccn1)c1cccc(-c2nnn[n-]2)c1 ZINC000820496650 606747032 /nfs/dbraw/zinc/74/70/32/606747032.db2.gz NMDSOAYZYURTPZ-GFCCVEGCSA-N -1 3 355.423 3.048 20 0 FGADHM C[C@@H](OC(=O)CCSc1ccccn1)c1cccc(-c2nn[n-]n2)c1 ZINC000820496650 606747034 /nfs/dbraw/zinc/74/70/34/606747034.db2.gz NMDSOAYZYURTPZ-GFCCVEGCSA-N -1 3 355.423 3.048 20 0 FGADHM Cc1nc(CC(C)C)c(NC(=O)NCc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000822436463 606772209 /nfs/dbraw/zinc/77/22/09/606772209.db2.gz NLCLEHDACUROJD-UHFFFAOYSA-N -1 3 371.470 3.152 20 0 FGADHM Cc1nc(CC(C)C)c(NC(=O)NCc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000822436463 606772210 /nfs/dbraw/zinc/77/22/10/606772210.db2.gz NLCLEHDACUROJD-UHFFFAOYSA-N -1 3 371.470 3.152 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)N[C@H](C)C2CC2)cc1 ZINC000822135901 606775902 /nfs/dbraw/zinc/77/59/02/606775902.db2.gz GNLXWRADZZAFKR-CYBMUJFWSA-N -1 3 363.421 3.496 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)N[C@H](C)C2CC2)cc1 ZINC000822135901 606775904 /nfs/dbraw/zinc/77/59/04/606775904.db2.gz GNLXWRADZZAFKR-CYBMUJFWSA-N -1 3 363.421 3.496 20 0 FGADHM Cc1ccc(NC(=O)COc2cc(Cl)ccc2-c2nnn[n-]2)cc1C ZINC000822248859 606781072 /nfs/dbraw/zinc/78/10/72/606781072.db2.gz QNNACUQFBGADJZ-UHFFFAOYSA-N -1 3 357.801 3.154 20 0 FGADHM Cc1ccc(NC(=O)COc2cc(Cl)ccc2-c2nn[n-]n2)cc1C ZINC000822248859 606781073 /nfs/dbraw/zinc/78/10/73/606781073.db2.gz QNNACUQFBGADJZ-UHFFFAOYSA-N -1 3 357.801 3.154 20 0 FGADHM CCCC[C@@H](NC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1)C1CCC1 ZINC000821042557 606816476 /nfs/dbraw/zinc/81/64/76/606816476.db2.gz DWSBRFOLQFBBAO-CZUORRHYSA-N -1 3 357.458 3.109 20 0 FGADHM CCCC[C@@H](NC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1)C1CCC1 ZINC000821042557 606816478 /nfs/dbraw/zinc/81/64/78/606816478.db2.gz DWSBRFOLQFBBAO-CZUORRHYSA-N -1 3 357.458 3.109 20 0 FGADHM O=C(C(F)=C1CCCC1)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000822911913 606835286 /nfs/dbraw/zinc/83/52/86/606835286.db2.gz DGPQADXKNQYSBI-UHFFFAOYSA-N -1 3 371.416 3.034 20 0 FGADHM O=C(C(F)=C1CCCC1)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000822911913 606835287 /nfs/dbraw/zinc/83/52/87/606835287.db2.gz DGPQADXKNQYSBI-UHFFFAOYSA-N -1 3 371.416 3.034 20 0 FGADHM O[C@@H](CSc1nc2ccccc2s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823697824 606846660 /nfs/dbraw/zinc/84/66/60/606846660.db2.gz NBSADQACQIZWIT-ZDUSSCGKSA-N -1 3 355.448 3.302 20 0 FGADHM O[C@@H](CSc1nc2ccccc2s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823697824 606846661 /nfs/dbraw/zinc/84/66/61/606846661.db2.gz NBSADQACQIZWIT-ZDUSSCGKSA-N -1 3 355.448 3.302 20 0 FGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)c1cc(F)cc(Cl)c1 ZINC000819976120 606847472 /nfs/dbraw/zinc/84/74/72/606847472.db2.gz MXVQTQBLPGZEGE-UHFFFAOYSA-N -1 3 362.796 3.468 20 0 FGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)c1cc(F)cc(Cl)c1 ZINC000819976120 606847474 /nfs/dbraw/zinc/84/74/74/606847474.db2.gz MXVQTQBLPGZEGE-UHFFFAOYSA-N -1 3 362.796 3.468 20 0 FGADHM COC(=O)c1ccc(CSc2ccc(-c3nnn[n-]3)cc2Cl)o1 ZINC000821669688 606853526 /nfs/dbraw/zinc/85/35/26/606853526.db2.gz XWJXIBWFCWNKSQ-UHFFFAOYSA-N -1 3 350.787 3.192 20 0 FGADHM COC(=O)c1ccc(CSc2ccc(-c3nn[n-]n3)cc2Cl)o1 ZINC000821669688 606853528 /nfs/dbraw/zinc/85/35/28/606853528.db2.gz XWJXIBWFCWNKSQ-UHFFFAOYSA-N -1 3 350.787 3.192 20 0 FGADHM Clc1cc(-c2nnn[n-]2)ccc1SCc1nc(-c2ccoc2)no1 ZINC000822564323 606854632 /nfs/dbraw/zinc/85/46/32/606854632.db2.gz ZSVBNUGJSILVOG-UHFFFAOYSA-N -1 3 360.786 3.455 20 0 FGADHM Clc1cc(-c2nn[n-]n2)ccc1SCc1nc(-c2ccoc2)no1 ZINC000822564323 606854633 /nfs/dbraw/zinc/85/46/33/606854633.db2.gz ZSVBNUGJSILVOG-UHFFFAOYSA-N -1 3 360.786 3.455 20 0 FGADHM CCN(C(=O)C[C@@H](C)c1ccncc1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821147855 606856868 /nfs/dbraw/zinc/85/68/68/606856868.db2.gz KGRXLHVLOWXOLR-CABCVRRESA-N -1 3 364.453 3.365 20 0 FGADHM CCN(C(=O)C[C@@H](C)c1ccncc1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821147855 606856869 /nfs/dbraw/zinc/85/68/69/606856869.db2.gz KGRXLHVLOWXOLR-CABCVRRESA-N -1 3 364.453 3.365 20 0 FGADHM C[C@H](NC(=O)N1CC(C)(C)c2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000820340010 606863888 /nfs/dbraw/zinc/86/38/88/606863888.db2.gz IIEKBIVRDYXMPX-ZDUSSCGKSA-N -1 3 362.437 3.435 20 0 FGADHM C[C@H](NC(=O)N1CC(C)(C)c2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000820340010 606863890 /nfs/dbraw/zinc/86/38/90/606863890.db2.gz IIEKBIVRDYXMPX-ZDUSSCGKSA-N -1 3 362.437 3.435 20 0 FGADHM FC(F)Oc1ccc(NCCCOc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822733288 606864568 /nfs/dbraw/zinc/86/45/68/606864568.db2.gz XBFLBJPPGFVREB-UHFFFAOYSA-N -1 3 361.352 3.349 20 0 FGADHM FC(F)Oc1ccc(NCCCOc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822733288 606864569 /nfs/dbraw/zinc/86/45/69/606864569.db2.gz XBFLBJPPGFVREB-UHFFFAOYSA-N -1 3 361.352 3.349 20 0 FGADHM CC(=O)c1cc(F)cc(F)c1OCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000819834617 606866312 /nfs/dbraw/zinc/86/63/12/606866312.db2.gz OZDPWVLYLOIALS-UHFFFAOYSA-N -1 3 374.347 3.195 20 0 FGADHM CC(=O)c1cc(F)cc(F)c1OCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000819834617 606866314 /nfs/dbraw/zinc/86/63/14/606866314.db2.gz OZDPWVLYLOIALS-UHFFFAOYSA-N -1 3 374.347 3.195 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)c1cncc(-c2ccccc2)c1 ZINC000823346517 606868917 /nfs/dbraw/zinc/86/89/17/606868917.db2.gz OPCWRMCDZSKGJJ-UHFFFAOYSA-N -1 3 360.352 3.320 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)c1cncc(-c2ccccc2)c1 ZINC000823346517 606868918 /nfs/dbraw/zinc/86/89/18/606868918.db2.gz OPCWRMCDZSKGJJ-UHFFFAOYSA-N -1 3 360.352 3.320 20 0 FGADHM CC1(C)CCCC[C@@H]1NC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000820596935 606873975 /nfs/dbraw/zinc/87/39/75/606873975.db2.gz VVNYMWDXFOMHFM-HNNXBMFYSA-N -1 3 359.499 3.185 20 0 FGADHM CC1(C)CCCC[C@@H]1NC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000820596935 606873977 /nfs/dbraw/zinc/87/39/77/606873977.db2.gz VVNYMWDXFOMHFM-HNNXBMFYSA-N -1 3 359.499 3.185 20 0 FGADHM Brc1ccc(Oc2ncnc3c2CCCC3)c(-c2nnn[n-]2)c1 ZINC000819688872 606874682 /nfs/dbraw/zinc/87/46/82/606874682.db2.gz PSKHQEHGRLQBON-UHFFFAOYSA-N -1 3 373.214 3.090 20 0 FGADHM Brc1ccc(Oc2ncnc3c2CCCC3)c(-c2nn[n-]n2)c1 ZINC000819688872 606874683 /nfs/dbraw/zinc/87/46/83/606874683.db2.gz PSKHQEHGRLQBON-UHFFFAOYSA-N -1 3 373.214 3.090 20 0 FGADHM FC(F)(F)c1ccc(NC[C@H]2CC2(Cl)Cl)c(-c2nnn[n-]2)c1 ZINC000822728387 606918273 /nfs/dbraw/zinc/91/82/73/606918273.db2.gz HZDKNWWPWJJYMB-SSDOTTSWSA-N -1 3 352.147 3.491 20 0 FGADHM FC(F)(F)c1ccc(NC[C@H]2CC2(Cl)Cl)c(-c2nn[n-]n2)c1 ZINC000822728387 606918274 /nfs/dbraw/zinc/91/82/74/606918274.db2.gz HZDKNWWPWJJYMB-SSDOTTSWSA-N -1 3 352.147 3.491 20 0 FGADHM CCc1nnc(N[C@H]2CCC[C@H](C(F)(F)F)C2)c(-c2nnn[n-]2)c1CC ZINC000821528539 606918805 /nfs/dbraw/zinc/91/88/05/606918805.db2.gz OSQAHXAWJHGWKK-UWVGGRQHSA-N -1 3 369.395 3.315 20 0 FGADHM CCc1nnc(N[C@H]2CCC[C@H](C(F)(F)F)C2)c(-c2nn[n-]n2)c1CC ZINC000821528539 606918806 /nfs/dbraw/zinc/91/88/06/606918806.db2.gz OSQAHXAWJHGWKK-UWVGGRQHSA-N -1 3 369.395 3.315 20 0 FGADHM CCc1nnc(N[C@@H]2CCc3cc(F)ccc32)c(-c2nnn[n-]2)c1CC ZINC000821528020 606923725 /nfs/dbraw/zinc/92/37/25/606923725.db2.gz JEZHNEJWTVMRLY-OAHLLOKOSA-N -1 3 353.405 3.020 20 0 FGADHM CCc1nnc(N[C@@H]2CCc3cc(F)ccc32)c(-c2nn[n-]n2)c1CC ZINC000821528020 606923727 /nfs/dbraw/zinc/92/37/27/606923727.db2.gz JEZHNEJWTVMRLY-OAHLLOKOSA-N -1 3 353.405 3.020 20 0 FGADHM COc1ccc(OC(F)F)c(NCc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000821838960 606927550 /nfs/dbraw/zinc/92/75/50/606927550.db2.gz ROQVEWQWWAZQMS-UHFFFAOYSA-N -1 3 365.315 3.228 20 0 FGADHM COc1ccc(OC(F)F)c(NCc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000821838960 606927552 /nfs/dbraw/zinc/92/75/52/606927552.db2.gz ROQVEWQWWAZQMS-UHFFFAOYSA-N -1 3 365.315 3.228 20 0 FGADHM CCc1nnc(NCc2nc(C(C)(C)C)cs2)c(-c2nnn[n-]2)c1CC ZINC000821542287 606932743 /nfs/dbraw/zinc/93/27/43/606932743.db2.gz NSLSEDIWBACHRT-UHFFFAOYSA-N -1 3 372.502 3.148 20 0 FGADHM CCc1nnc(NCc2nc(C(C)(C)C)cs2)c(-c2nn[n-]n2)c1CC ZINC000821542287 606932745 /nfs/dbraw/zinc/93/27/45/606932745.db2.gz NSLSEDIWBACHRT-UHFFFAOYSA-N -1 3 372.502 3.148 20 0 FGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)Nc1cc(F)cc(Cl)c1 ZINC000823066303 606937397 /nfs/dbraw/zinc/93/73/97/606937397.db2.gz UBWORRYIVDJIMZ-UHFFFAOYSA-N -1 3 363.805 3.390 20 0 FGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)Nc1cc(F)cc(Cl)c1 ZINC000823066303 606937398 /nfs/dbraw/zinc/93/73/98/606937398.db2.gz UBWORRYIVDJIMZ-UHFFFAOYSA-N -1 3 363.805 3.390 20 0 FGADHM Cc1coc(-c2cc(NC(=O)Cc3cccc(-c4nnn[n-]4)c3)ccc2C)n1 ZINC000822403477 606938498 /nfs/dbraw/zinc/93/84/98/606938498.db2.gz OVMGFSCAAJCSRG-UHFFFAOYSA-N -1 3 374.404 3.320 20 0 FGADHM Cc1coc(-c2cc(NC(=O)Cc3cccc(-c4nn[n-]n4)c3)ccc2C)n1 ZINC000822403477 606938499 /nfs/dbraw/zinc/93/84/99/606938499.db2.gz OVMGFSCAAJCSRG-UHFFFAOYSA-N -1 3 374.404 3.320 20 0 FGADHM CCc1nnc(N2CC[C@@H](c3ccccc3)[C@H]2C)c(-c2nnn[n-]2)c1CC ZINC000821523471 606942567 /nfs/dbraw/zinc/94/25/67/606942567.db2.gz WTWWULOLEXOXQE-CZUORRHYSA-N -1 3 363.469 3.164 20 0 FGADHM CCc1nnc(N2CC[C@@H](c3ccccc3)[C@H]2C)c(-c2nn[n-]n2)c1CC ZINC000821523471 606942568 /nfs/dbraw/zinc/94/25/68/606942568.db2.gz WTWWULOLEXOXQE-CZUORRHYSA-N -1 3 363.469 3.164 20 0 FGADHM C[C@@H]1c2cc(F)cc(F)c2CCN1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000820820134 606950475 /nfs/dbraw/zinc/95/04/75/606950475.db2.gz NBTXKCXGJBHADK-SNVBAGLBSA-N -1 3 370.363 3.296 20 0 FGADHM C[C@@H]1c2cc(F)cc(F)c2CCN1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000820820134 606950476 /nfs/dbraw/zinc/95/04/76/606950476.db2.gz NBTXKCXGJBHADK-SNVBAGLBSA-N -1 3 370.363 3.296 20 0 FGADHM COc1cc(F)c(NC(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1F ZINC000821720177 606956341 /nfs/dbraw/zinc/95/63/41/606956341.db2.gz OKQHWPFKLVWJBD-SECBINFHSA-N -1 3 374.351 3.036 20 0 FGADHM COc1cc(F)c(NC(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000821720177 606956342 /nfs/dbraw/zinc/95/63/42/606956342.db2.gz OKQHWPFKLVWJBD-SECBINFHSA-N -1 3 374.351 3.036 20 0 FGADHM CS/C=C\C(=O)N(Cc1ccccc1)c1ccccc1-c1nnn[n-]1 ZINC000821956343 606957677 /nfs/dbraw/zinc/95/76/77/606957677.db2.gz MNPLSZFFFVVQAC-QXMHVHEDSA-N -1 3 351.435 3.277 20 0 FGADHM CS/C=C\C(=O)N(Cc1ccccc1)c1ccccc1-c1nn[n-]n1 ZINC000821956343 606957678 /nfs/dbraw/zinc/95/76/78/606957678.db2.gz MNPLSZFFFVVQAC-QXMHVHEDSA-N -1 3 351.435 3.277 20 0 FGADHM CN(C(=O)Cc1cccc(Cl)c1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821571777 606960863 /nfs/dbraw/zinc/96/08/63/606960863.db2.gz FAUIOQMQOASMJW-UHFFFAOYSA-N -1 3 362.220 3.379 20 0 FGADHM CN(C(=O)Cc1cccc(Cl)c1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821571777 606960865 /nfs/dbraw/zinc/96/08/65/606960865.db2.gz FAUIOQMQOASMJW-UHFFFAOYSA-N -1 3 362.220 3.379 20 0 FGADHM CN(C(=O)c1ccc2ccccc2n1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821574336 606962631 /nfs/dbraw/zinc/96/26/31/606962631.db2.gz BRIPEYWBHRRJST-UHFFFAOYSA-N -1 3 364.796 3.345 20 0 FGADHM CN(C(=O)c1ccc2ccccc2n1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821574336 606962633 /nfs/dbraw/zinc/96/26/33/606962633.db2.gz BRIPEYWBHRRJST-UHFFFAOYSA-N -1 3 364.796 3.345 20 0 FGADHM C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)N1Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820803906 606971799 /nfs/dbraw/zinc/97/17/99/606971799.db2.gz JLWAEENLHYQTTR-TYILLQQXSA-N -1 3 367.428 3.356 20 0 FGADHM C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)N1Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820803906 606971801 /nfs/dbraw/zinc/97/18/01/606971801.db2.gz JLWAEENLHYQTTR-TYILLQQXSA-N -1 3 367.428 3.356 20 0 FGADHM Fc1ccc(CN2CCSC[C@H]2c2ccccc2)cc1-c1nnn[n-]1 ZINC000822771952 606975480 /nfs/dbraw/zinc/97/54/80/606975480.db2.gz MTENKNOGNDTILI-KRWDZBQOSA-N -1 3 355.442 3.296 20 0 FGADHM CC(C)OCc1ccc(C(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000820145917 606991390 /nfs/dbraw/zinc/99/13/90/606991390.db2.gz GAYIVXBUFITPHO-UHFFFAOYSA-N -1 3 370.384 3.288 20 0 FGADHM CC(C)OCc1ccc(C(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000820145917 606991392 /nfs/dbraw/zinc/99/13/92/606991392.db2.gz GAYIVXBUFITPHO-UHFFFAOYSA-N -1 3 370.384 3.288 20 0 FGADHM C[C@@H](CCc1ccccc1F)C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820254667 607001628 /nfs/dbraw/zinc/00/16/28/607001628.db2.gz UDVAYTCCEGUFPX-LBPRGKRZSA-N -1 3 372.375 3.457 20 0 FGADHM C[C@@H](CCc1ccccc1F)C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820254667 607001629 /nfs/dbraw/zinc/00/16/29/607001629.db2.gz UDVAYTCCEGUFPX-LBPRGKRZSA-N -1 3 372.375 3.457 20 0 FGADHM Cc1cc(C)c(NC(=O)COc2cc(-c3nnn[n-]3)ccc2C)c(Cl)c1 ZINC000822194255 607028782 /nfs/dbraw/zinc/02/87/82/607028782.db2.gz PJTFSYHZRMYIBI-UHFFFAOYSA-N -1 3 371.828 3.463 20 0 FGADHM Cc1cc(C)c(NC(=O)COc2cc(-c3nn[n-]n3)ccc2C)c(Cl)c1 ZINC000822194255 607028784 /nfs/dbraw/zinc/02/87/84/607028784.db2.gz PJTFSYHZRMYIBI-UHFFFAOYSA-N -1 3 371.828 3.463 20 0 FGADHM O[C@]12CCCC[C@H]1CN(c1ccc(C(F)(F)F)cc1-c1nnn[n-]1)CC2 ZINC000823697845 607032810 /nfs/dbraw/zinc/03/28/10/607032810.db2.gz NNYMEDNLKRGOES-LRDDRELGSA-N -1 3 367.375 3.017 20 0 FGADHM O[C@]12CCCC[C@H]1CN(c1ccc(C(F)(F)F)cc1-c1nn[n-]n1)CC2 ZINC000823697845 607032812 /nfs/dbraw/zinc/03/28/12/607032812.db2.gz NNYMEDNLKRGOES-LRDDRELGSA-N -1 3 367.375 3.017 20 0 FGADHM COC(=O)c1cccc(CSCc2cc(F)ccc2-c2nnn[n-]2)c1 ZINC000821670189 607033521 /nfs/dbraw/zinc/03/35/21/607033521.db2.gz RAZGFRCNMKTACC-UHFFFAOYSA-N -1 3 358.398 3.226 20 0 FGADHM COC(=O)c1cccc(CSCc2cc(F)ccc2-c2nn[n-]n2)c1 ZINC000821670189 607033522 /nfs/dbraw/zinc/03/35/22/607033522.db2.gz RAZGFRCNMKTACC-UHFFFAOYSA-N -1 3 358.398 3.226 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc2c(s1)CCC2 ZINC000821123447 607043225 /nfs/dbraw/zinc/04/32/25/607043225.db2.gz SZOXWXFTSAEWHF-UHFFFAOYSA-N -1 3 368.466 3.491 20 0 FGADHM COc1ccc2c(c1)[C@@H](NCc1ccc(-c3nn[n-]n3)cc1F)CCCO2 ZINC000821849409 607056249 /nfs/dbraw/zinc/05/62/49/607056249.db2.gz HOESORNCJCRHPL-KRWDZBQOSA-N -1 3 369.400 3.018 20 0 FGADHM CCOc1ccc2c(c1)[C@@H](NCc1ccc(-c3nnn[n-]3)cc1F)CCO2 ZINC000821426743 607057727 /nfs/dbraw/zinc/05/77/27/607057727.db2.gz IFHOSTZICNQVEN-KRWDZBQOSA-N -1 3 369.400 3.018 20 0 FGADHM CCOc1ccc2c(c1)[C@@H](NCc1ccc(-c3nn[n-]n3)cc1F)CCO2 ZINC000821426743 607057729 /nfs/dbraw/zinc/05/77/29/607057729.db2.gz IFHOSTZICNQVEN-KRWDZBQOSA-N -1 3 369.400 3.018 20 0 FGADHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)NCC1(C)CCCCC1 ZINC000820612933 607062047 /nfs/dbraw/zinc/06/20/47/607062047.db2.gz OGUVRMQWAGTWHG-UHFFFAOYSA-N -1 3 357.458 3.111 20 0 FGADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NCC1(C)CCCCC1 ZINC000820612933 607062050 /nfs/dbraw/zinc/06/20/50/607062050.db2.gz OGUVRMQWAGTWHG-UHFFFAOYSA-N -1 3 357.458 3.111 20 0 FGADHM COc1ccccc1C(C)=CC(=O)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000821883332 607082773 /nfs/dbraw/zinc/08/27/73/607082773.db2.gz TUGDPMQAQKNWCW-XFXZXTDPSA-N -1 3 368.368 3.161 20 0 FGADHM COc1ccccc1C(C)=CC(=O)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000821883332 607082775 /nfs/dbraw/zinc/08/27/75/607082775.db2.gz TUGDPMQAQKNWCW-XFXZXTDPSA-N -1 3 368.368 3.161 20 0 FGADHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000823413212 607084640 /nfs/dbraw/zinc/08/46/40/607084640.db2.gz CLOHBOOTVSKEHV-KGLIPLIRSA-N -1 3 374.322 3.131 20 0 FGADHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000823413212 607084641 /nfs/dbraw/zinc/08/46/41/607084641.db2.gz CLOHBOOTVSKEHV-KGLIPLIRSA-N -1 3 374.322 3.131 20 0 FGADHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)c1cc2cccc(F)c2o1 ZINC000823418825 607084856 /nfs/dbraw/zinc/08/48/56/607084856.db2.gz XJIMVCUSSMWCNT-UHFFFAOYSA-N -1 3 356.288 3.248 20 0 FGADHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)c1cc2cccc(F)c2o1 ZINC000823418825 607084857 /nfs/dbraw/zinc/08/48/57/607084857.db2.gz XJIMVCUSSMWCNT-UHFFFAOYSA-N -1 3 356.288 3.248 20 0 FGADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H](C)Oc1cccc(C)c1 ZINC000821294017 607100689 /nfs/dbraw/zinc/10/06/89/607100689.db2.gz PJPDJWNLUMRSGM-CYBMUJFWSA-N -1 3 366.425 3.013 20 0 FGADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)Cc1cccc(Cl)c1 ZINC000821305058 607101147 /nfs/dbraw/zinc/10/11/47/607101147.db2.gz VXTXNESDSFVBSN-UHFFFAOYSA-N -1 3 356.817 3.133 20 0 FGADHM CC(C)CCC1CCN(C(=O)NCc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000820072897 607119951 /nfs/dbraw/zinc/11/99/51/607119951.db2.gz MXGMRDOFGKMOSF-UHFFFAOYSA-N -1 3 356.474 3.225 20 0 FGADHM CC(C)CCC1CCN(C(=O)NCc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000820072897 607119953 /nfs/dbraw/zinc/11/99/53/607119953.db2.gz MXGMRDOFGKMOSF-UHFFFAOYSA-N -1 3 356.474 3.225 20 0 FGADHM c1ccc2c(c1)ncc(-c1nnn[n-]1)c2N[C@H]1CCOC2(CCCCC2)C1 ZINC000823797870 607131913 /nfs/dbraw/zinc/13/19/13/607131913.db2.gz UGMMGQMDCGSCMA-AWEZNQCLSA-N -1 3 364.453 3.131 20 0 FGADHM c1ccc2c(c1)ncc(-c1nn[n-]n1)c2N[C@H]1CCOC2(CCCCC2)C1 ZINC000823797870 607131914 /nfs/dbraw/zinc/13/19/14/607131914.db2.gz UGMMGQMDCGSCMA-AWEZNQCLSA-N -1 3 364.453 3.131 20 0 FGADHM CC(C)CCC1CCN(C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)CC1 ZINC000820072270 607138110 /nfs/dbraw/zinc/13/81/10/607138110.db2.gz DFPCRBZAXLSOTG-UHFFFAOYSA-N -1 3 363.412 3.433 20 0 FGADHM CC(C)CCC1CCN(C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CC1 ZINC000820072270 607138111 /nfs/dbraw/zinc/13/81/11/607138111.db2.gz DFPCRBZAXLSOTG-UHFFFAOYSA-N -1 3 363.412 3.433 20 0 FGADHM C[C@H](SCc1ccccc1-c1nnn[n-]1)c1cn(-c2ccccc2)nn1 ZINC000820549711 607150076 /nfs/dbraw/zinc/15/00/76/607150076.db2.gz QOQSEBICRXHJCB-ZDUSSCGKSA-N -1 3 363.450 3.442 20 0 FGADHM C[C@H](SCc1ccccc1-c1nn[n-]n1)c1cn(-c2ccccc2)nn1 ZINC000820549711 607150078 /nfs/dbraw/zinc/15/00/78/607150078.db2.gz QOQSEBICRXHJCB-ZDUSSCGKSA-N -1 3 363.450 3.442 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@H](C)OC1CCCCCC1 ZINC000821389305 607150214 /nfs/dbraw/zinc/15/02/14/607150214.db2.gz IRDIPTCGADGOEZ-ZDUSSCGKSA-N -1 3 374.441 3.299 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@H](C)OC1CCCCCC1 ZINC000821389305 607150215 /nfs/dbraw/zinc/15/02/15/607150215.db2.gz IRDIPTCGADGOEZ-ZDUSSCGKSA-N -1 3 374.441 3.299 20 0 FGADHM CCCCC[C@H]1CCCN1C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000821048411 607153289 /nfs/dbraw/zinc/15/32/89/607153289.db2.gz CNVJXIAYXLSNAM-HNNXBMFYSA-N -1 3 360.437 3.260 20 0 FGADHM CCCCC[C@H]1CCCN1C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000821048411 607153290 /nfs/dbraw/zinc/15/32/90/607153290.db2.gz CNVJXIAYXLSNAM-HNNXBMFYSA-N -1 3 360.437 3.260 20 0 FGADHM Cc1ccccc1[C@H](C)OC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000822345578 607158759 /nfs/dbraw/zinc/15/87/59/607158759.db2.gz LDKITEFANXZQDQ-KBPBESRZSA-N -1 3 352.394 3.247 20 0 FGADHM CCC[C@H](C)[C@H]1CCCN1C(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000821016596 607164318 /nfs/dbraw/zinc/16/43/18/607164318.db2.gz XTDGTHRDXCCWRE-JJRVBVJISA-N -1 3 357.458 3.061 20 0 FGADHM CCN(CCC(F)(F)F)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821207843 607196518 /nfs/dbraw/zinc/19/65/18/607196518.db2.gz VUJVQJAEFPPQIQ-UHFFFAOYSA-N -1 3 362.743 3.326 20 0 FGADHM CCN(CCC(F)(F)F)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821207843 607196519 /nfs/dbraw/zinc/19/65/19/607196519.db2.gz VUJVQJAEFPPQIQ-UHFFFAOYSA-N -1 3 362.743 3.326 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N1CCC[C@H]1c1ccccn1 ZINC000823313475 607197906 /nfs/dbraw/zinc/19/79/06/607197906.db2.gz CBWISXXFMZDXKB-HNNXBMFYSA-N -1 3 369.816 3.284 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N1CCC[C@H]1c1ccccn1 ZINC000823313475 607197907 /nfs/dbraw/zinc/19/79/07/607197907.db2.gz CBWISXXFMZDXKB-HNNXBMFYSA-N -1 3 369.816 3.284 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)NC1(c2ccc(F)cc2)CC1 ZINC000823318858 607198781 /nfs/dbraw/zinc/19/87/81/607198781.db2.gz LXZCHBGEDXDHAJ-UHFFFAOYSA-N -1 3 372.791 3.470 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)NC1(c2ccc(F)cc2)CC1 ZINC000823318858 607198782 /nfs/dbraw/zinc/19/87/82/607198782.db2.gz LXZCHBGEDXDHAJ-UHFFFAOYSA-N -1 3 372.791 3.470 20 0 FGADHM Cn1cccc1[C@@H]1CCCN1C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000822693646 607202652 /nfs/dbraw/zinc/20/26/52/607202652.db2.gz IPXVSQMPDLEBEO-HNNXBMFYSA-N -1 3 371.832 3.228 20 0 FGADHM Cn1cccc1[C@@H]1CCCN1C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822693646 607202653 /nfs/dbraw/zinc/20/26/53/607202653.db2.gz IPXVSQMPDLEBEO-HNNXBMFYSA-N -1 3 371.832 3.228 20 0 FGADHM Cc1nn(Cc2ccccc2)c(C)c1CNc1nc(C)ccc1-c1nnn[n-]1 ZINC000822214984 607226696 /nfs/dbraw/zinc/22/66/96/607226696.db2.gz HECXRRIXNSKGRZ-UHFFFAOYSA-N -1 3 374.452 3.044 20 0 FGADHM Cc1nn(Cc2ccccc2)c(C)c1CNc1nc(C)ccc1-c1nn[n-]n1 ZINC000822214984 607226697 /nfs/dbraw/zinc/22/66/97/607226697.db2.gz HECXRRIXNSKGRZ-UHFFFAOYSA-N -1 3 374.452 3.044 20 0 FGADHM C[C@H](NC(=O)c1ncc(-c2nnn[n-]2)cc1Cl)c1cccc(Cl)c1 ZINC000820404300 607231205 /nfs/dbraw/zinc/23/12/05/607231205.db2.gz RSOGAURXVOUYSC-QMMMGPOBSA-N -1 3 363.208 3.060 20 0 FGADHM C[C@H](NC(=O)c1ncc(-c2nn[n-]n2)cc1Cl)c1cccc(Cl)c1 ZINC000820404300 607231206 /nfs/dbraw/zinc/23/12/06/607231206.db2.gz RSOGAURXVOUYSC-QMMMGPOBSA-N -1 3 363.208 3.060 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N(c1ccccn1)C1CCCC1 ZINC000822927820 607240887 /nfs/dbraw/zinc/24/08/87/607240887.db2.gz BDVZBLXAPSJKBQ-SEYXRHQNSA-N -1 3 360.421 3.251 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N(c1ccccn1)C1CCCC1 ZINC000822927820 607240888 /nfs/dbraw/zinc/24/08/88/607240888.db2.gz BDVZBLXAPSJKBQ-SEYXRHQNSA-N -1 3 360.421 3.251 20 0 FGADHM O=C(c1c(F)cc(-c2nnn[n-]2)cc1F)N(c1ccccn1)C1CCCC1 ZINC000823453892 607240989 /nfs/dbraw/zinc/24/09/89/607240989.db2.gz DMKMBAKYPZCINF-UHFFFAOYSA-N -1 3 370.363 3.129 20 0 FGADHM O=C(c1c(F)cc(-c2nn[n-]n2)cc1F)N(c1ccccn1)C1CCCC1 ZINC000823453892 607240990 /nfs/dbraw/zinc/24/09/90/607240990.db2.gz DMKMBAKYPZCINF-UHFFFAOYSA-N -1 3 370.363 3.129 20 0 FGADHM O=C(Cc1ccc(F)cc1Cl)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823082788 607242566 /nfs/dbraw/zinc/24/25/66/607242566.db2.gz PWDYBFDUYUNGCE-UHFFFAOYSA-N -1 3 366.183 3.494 20 0 FGADHM O=C(Cc1ccc(F)cc1Cl)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823082788 607242567 /nfs/dbraw/zinc/24/25/67/607242567.db2.gz PWDYBFDUYUNGCE-UHFFFAOYSA-N -1 3 366.183 3.494 20 0 FGADHM CCCc1nc(C)c(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)s1 ZINC000821143868 607243587 /nfs/dbraw/zinc/24/35/87/607243587.db2.gz ZEPOBDVMCRSFIT-UHFFFAOYSA-N -1 3 362.846 3.490 20 0 FGADHM CCCc1nc(C)c(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)s1 ZINC000821143868 607243588 /nfs/dbraw/zinc/24/35/88/607243588.db2.gz ZEPOBDVMCRSFIT-UHFFFAOYSA-N -1 3 362.846 3.490 20 0 FGADHM COc1ccc(S[C@@H](C)C(=O)Oc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000821846640 607244386 /nfs/dbraw/zinc/24/43/86/607244386.db2.gz WSTZNZGUJVODED-JTQLQIEISA-N -1 3 374.397 3.101 20 0 FGADHM COc1ccc(S[C@@H](C)C(=O)Oc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000821846640 607244387 /nfs/dbraw/zinc/24/43/87/607244387.db2.gz WSTZNZGUJVODED-JTQLQIEISA-N -1 3 374.397 3.101 20 0 FGADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)C(F)(F)c1cccc(Cl)c1 ZINC000823449954 607247529 /nfs/dbraw/zinc/24/75/29/607247529.db2.gz GHDMVEBIDKKKCS-UHFFFAOYSA-N -1 3 368.702 3.357 20 0 FGADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)C(F)(F)c1cccc(Cl)c1 ZINC000823449954 607247530 /nfs/dbraw/zinc/24/75/30/607247530.db2.gz GHDMVEBIDKKKCS-UHFFFAOYSA-N -1 3 368.702 3.357 20 0 FGADHM O=C(CSc1ccc2c(c1)CCC2)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000823070790 607248166 /nfs/dbraw/zinc/24/81/66/607248166.db2.gz NWOGUWZBITZXAX-UHFFFAOYSA-N -1 3 370.409 3.192 20 0 FGADHM O=C(CSc1ccc2c(c1)CCC2)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000823070790 607248167 /nfs/dbraw/zinc/24/81/67/607248167.db2.gz NWOGUWZBITZXAX-UHFFFAOYSA-N -1 3 370.409 3.192 20 0 FGADHM Cc1nc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CC[C@H](C)C3)c(C)s1 ZINC000826323680 607782564 /nfs/dbraw/zinc/78/25/64/607782564.db2.gz NPMBHOUFXQEBGR-ZETCQYMHSA-N -1 3 374.495 3.379 20 0 FGADHM Cc1nc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CC[C@H](C)C3)c(C)s1 ZINC000826323680 607782565 /nfs/dbraw/zinc/78/25/65/607782565.db2.gz NPMBHOUFXQEBGR-ZETCQYMHSA-N -1 3 374.495 3.379 20 0 FGADHM CCSc1ccc(CC(=O)Oc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000825674620 607791405 /nfs/dbraw/zinc/79/14/05/607791405.db2.gz OZWARJKORMPALC-UHFFFAOYSA-N -1 3 358.398 3.266 20 0 FGADHM CCSc1ccc(CC(=O)Oc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000825674620 607791406 /nfs/dbraw/zinc/79/14/06/607791406.db2.gz OZWARJKORMPALC-UHFFFAOYSA-N -1 3 358.398 3.266 20 0 FGADHM CCCC(CCC)C(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825242312 607793886 /nfs/dbraw/zinc/79/38/86/607793886.db2.gz OALRILDNSGMYOT-UHFFFAOYSA-N -1 3 371.485 3.453 20 0 FGADHM Cc1ccc(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)nc2)nc1 ZINC000826282222 607794090 /nfs/dbraw/zinc/79/40/90/607794090.db2.gz DIROYWZKJYASDX-UHFFFAOYSA-N -1 3 373.376 3.010 20 0 FGADHM Cc1ccc(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)nc2)nc1 ZINC000826282222 607794091 /nfs/dbraw/zinc/79/40/91/607794091.db2.gz DIROYWZKJYASDX-UHFFFAOYSA-N -1 3 373.376 3.010 20 0 FGADHM CCN(C(=O)c1sc(CC(C)C)nc1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825390650 607798731 /nfs/dbraw/zinc/79/87/31/607798731.db2.gz JFMPYJILDNAJSS-UHFFFAOYSA-N -1 3 370.482 3.497 20 0 FGADHM CCN(C(=O)c1sc(CC(C)C)nc1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825390650 607798732 /nfs/dbraw/zinc/79/87/32/607798732.db2.gz JFMPYJILDNAJSS-UHFFFAOYSA-N -1 3 370.482 3.497 20 0 FGADHM CCN(C(=O)[C@@H](C)Oc1ccccc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000825362583 607798740 /nfs/dbraw/zinc/79/87/40/607798740.db2.gz PNGDLTFKNRYEKR-GFCCVEGCSA-N -1 3 371.828 3.341 20 0 FGADHM CCN(C(=O)[C@@H](C)Oc1ccccc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000825362583 607798741 /nfs/dbraw/zinc/79/87/41/607798741.db2.gz PNGDLTFKNRYEKR-GFCCVEGCSA-N -1 3 371.828 3.341 20 0 FGADHM CC(C)(C)O[C@@H](C(=O)NCc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000824119327 607815912 /nfs/dbraw/zinc/81/59/12/607815912.db2.gz FPLJVURRWZRJGL-QGZVFWFLSA-N -1 3 365.437 3.039 20 0 FGADHM CC(C)(C)O[C@@H](C(=O)NCc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000824119327 607815913 /nfs/dbraw/zinc/81/59/13/607815913.db2.gz FPLJVURRWZRJGL-QGZVFWFLSA-N -1 3 365.437 3.039 20 0 FGADHM CC1(C)C[C@H](Nc2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)CCO1 ZINC000824790272 607821270 /nfs/dbraw/zinc/82/12/70/607821270.db2.gz LSWPPIJHIQMHTM-SNVBAGLBSA-N -1 3 360.368 3.063 20 0 FGADHM CC1(C)C[C@H](Nc2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)CCO1 ZINC000824790272 607821271 /nfs/dbraw/zinc/82/12/71/607821271.db2.gz LSWPPIJHIQMHTM-SNVBAGLBSA-N -1 3 360.368 3.063 20 0 FGADHM CCN(C(=O)C[C@@H](C)c1c(C)noc1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825366827 607829679 /nfs/dbraw/zinc/82/96/79/607829679.db2.gz GNCRDPIXIGKYMK-LLVKDONJSA-N -1 3 354.414 3.018 20 0 FGADHM CCN(C(=O)C[C@@H](C)c1c(C)noc1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825366827 607829680 /nfs/dbraw/zinc/82/96/80/607829680.db2.gz GNCRDPIXIGKYMK-LLVKDONJSA-N -1 3 354.414 3.018 20 0 FGADHM CC1(CNC(=O)c2c(Cl)cc(-c3nnn[n-]3)cc2Cl)CCCC1 ZINC000824824250 607834096 /nfs/dbraw/zinc/83/40/96/607834096.db2.gz SOSPPEGWYQEEFR-UHFFFAOYSA-N -1 3 354.241 3.484 20 0 FGADHM CC1(CNC(=O)c2c(Cl)cc(-c3nn[n-]n3)cc2Cl)CCCC1 ZINC000824824250 607834097 /nfs/dbraw/zinc/83/40/97/607834097.db2.gz SOSPPEGWYQEEFR-UHFFFAOYSA-N -1 3 354.241 3.484 20 0 FGADHM O[C@H](CNc1ccc2cc(-c3nnn[n-]3)ccc2n1)c1ccc(Cl)cc1 ZINC000826504271 607839783 /nfs/dbraw/zinc/83/97/83/607839783.db2.gz RRQLBMZTKFQJNO-MRXNPFEDSA-N -1 3 366.812 3.214 20 0 FGADHM O[C@H](CNc1ccc2cc(-c3nn[n-]n3)ccc2n1)c1ccc(Cl)cc1 ZINC000826504271 607839784 /nfs/dbraw/zinc/83/97/84/607839784.db2.gz RRQLBMZTKFQJNO-MRXNPFEDSA-N -1 3 366.812 3.214 20 0 FGADHM c1ccc(N[C@H]2CCN(c3ccc4cc(-c5nnn[n-]5)ccc4n3)C2)cc1 ZINC000826522293 607841825 /nfs/dbraw/zinc/84/18/25/607841825.db2.gz UYTPNWVYUCMWDN-KRWDZBQOSA-N -1 3 357.421 3.106 20 0 FGADHM c1ccc(N[C@H]2CCN(c3ccc4cc(-c5nn[n-]n5)ccc4n3)C2)cc1 ZINC000826522293 607841826 /nfs/dbraw/zinc/84/18/26/607841826.db2.gz UYTPNWVYUCMWDN-KRWDZBQOSA-N -1 3 357.421 3.106 20 0 FGADHM C[C@@H](OC[C@@H](O)COc1ccccc1-c1nnn[n-]1)c1ccc(Cl)cc1 ZINC000824731541 607870094 /nfs/dbraw/zinc/87/00/94/607870094.db2.gz WPIUJFCAGSSEEH-IUODEOHRSA-N -1 3 374.828 3.038 20 0 FGADHM C[C@@H](OC[C@@H](O)COc1ccccc1-c1nn[n-]n1)c1ccc(Cl)cc1 ZINC000824731541 607870095 /nfs/dbraw/zinc/87/00/95/607870095.db2.gz WPIUJFCAGSSEEH-IUODEOHRSA-N -1 3 374.828 3.038 20 0 FGADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC[C@@H](O)c1cc(C)cc(C)c1 ZINC000826167874 607872023 /nfs/dbraw/zinc/87/20/23/607872023.db2.gz UIHYSJWXKVBQNQ-OAHLLOKOSA-N -1 3 374.828 3.258 20 0 FGADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC[C@@H](O)c1cc(C)cc(C)c1 ZINC000826167874 607872024 /nfs/dbraw/zinc/87/20/24/607872024.db2.gz UIHYSJWXKVBQNQ-OAHLLOKOSA-N -1 3 374.828 3.258 20 0 FGADHM O=C1OC(c2ccc(-c3nnn[n-]3)cc2)=NC1=Cc1ccc(F)c(Cl)c1 ZINC000826483093 607880062 /nfs/dbraw/zinc/88/00/62/607880062.db2.gz AOMMDHCRMJKOTA-ZSOIEALJSA-N -1 3 369.743 3.004 20 0 FGADHM O=C1OC(c2ccc(-c3nn[n-]n3)cc2)=NC1=Cc1ccc(F)c(Cl)c1 ZINC000826483093 607880063 /nfs/dbraw/zinc/88/00/63/607880063.db2.gz AOMMDHCRMJKOTA-ZSOIEALJSA-N -1 3 369.743 3.004 20 0 FGADHM CC(=Cc1ccccc1Cl)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000823944155 607894506 /nfs/dbraw/zinc/89/45/06/607894506.db2.gz YYKSRPNWXQBZJS-FLIBITNWSA-N -1 3 371.803 3.379 20 0 FGADHM CC(=Cc1ccccc1Cl)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000823944155 607894507 /nfs/dbraw/zinc/89/45/07/607894507.db2.gz YYKSRPNWXQBZJS-FLIBITNWSA-N -1 3 371.803 3.379 20 0 FGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000826441843 607895254 /nfs/dbraw/zinc/89/52/54/607895254.db2.gz XWWRTSSOKHVENZ-UMVBOHGHSA-N -1 3 357.433 3.229 20 0 FGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000826441843 607895255 /nfs/dbraw/zinc/89/52/55/607895255.db2.gz XWWRTSSOKHVENZ-UMVBOHGHSA-N -1 3 357.433 3.229 20 0 FGADHM C[C@@H](Nc1ccc(Cl)cc1-c1nnn[n-]1)c1ccc([S@@](C)=O)cc1 ZINC000824656564 607902970 /nfs/dbraw/zinc/90/29/70/607902970.db2.gz LWCJJCVMGNVDLY-VKTRGTBVSA-N -1 3 361.858 3.431 20 0 FGADHM C[C@@H](Nc1ccc(Cl)cc1-c1nn[n-]n1)c1ccc([S@@](C)=O)cc1 ZINC000824656564 607902971 /nfs/dbraw/zinc/90/29/71/607902971.db2.gz LWCJJCVMGNVDLY-VKTRGTBVSA-N -1 3 361.858 3.431 20 0 FGADHM Fc1cccc(N2CCC[C@@H]2Cn2cnc3ccccc32)c1-c1nnn[n-]1 ZINC000826377531 607905630 /nfs/dbraw/zinc/90/56/30/607905630.db2.gz VZLRTLRRLBIDTH-CYBMUJFWSA-N -1 3 363.400 3.025 20 0 FGADHM Fc1cccc(N2CCC[C@@H]2Cn2cnc3ccccc32)c1-c1nn[n-]n1 ZINC000826377531 607905631 /nfs/dbraw/zinc/90/56/31/607905631.db2.gz VZLRTLRRLBIDTH-CYBMUJFWSA-N -1 3 363.400 3.025 20 0 FGADHM CC(C)[C@@H](C(=O)OCc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC000824184272 607917920 /nfs/dbraw/zinc/91/79/20/607917920.db2.gz DVEOQYBRYGCTMT-QGZVFWFLSA-N -1 3 354.385 3.489 20 0 FGADHM CC(C)[C@@H](C(=O)OCc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC000824184272 607917921 /nfs/dbraw/zinc/91/79/21/607917921.db2.gz DVEOQYBRYGCTMT-QGZVFWFLSA-N -1 3 354.385 3.489 20 0 FGADHM O=C(Cc1ccc(Cl)c(Cl)c1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826422720 607946839 /nfs/dbraw/zinc/94/68/39/607946839.db2.gz JRBAJCBAAJBGDW-UHFFFAOYSA-N -1 3 374.231 3.305 20 0 FGADHM O=C(Cc1ccc(Cl)c(Cl)c1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826422720 607946840 /nfs/dbraw/zinc/94/68/40/607946840.db2.gz JRBAJCBAAJBGDW-UHFFFAOYSA-N -1 3 374.231 3.305 20 0 FGADHM O=C(c1cc2cc(F)ccc2s1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826470603 607947533 /nfs/dbraw/zinc/94/75/33/607947533.db2.gz WHXMSRJZRDIOTJ-UHFFFAOYSA-N -1 3 365.393 3.423 20 0 FGADHM O=C(c1cc2cc(F)ccc2s1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826470603 607947534 /nfs/dbraw/zinc/94/75/34/607947534.db2.gz WHXMSRJZRDIOTJ-UHFFFAOYSA-N -1 3 365.393 3.423 20 0 FGADHM O=C(CCc1ccc(Cl)s1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826408828 607949606 /nfs/dbraw/zinc/94/96/06/607949606.db2.gz WTUYJMFRGYOLTJ-UHFFFAOYSA-N -1 3 359.842 3.104 20 0 FGADHM O=C(CCc1ccc(Cl)s1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826408828 607949607 /nfs/dbraw/zinc/94/96/07/607949607.db2.gz WTUYJMFRGYOLTJ-UHFFFAOYSA-N -1 3 359.842 3.104 20 0 FGADHM Cc1ccc(-c2ocnc2C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)cc1 ZINC000826280776 607950063 /nfs/dbraw/zinc/95/00/63/607950063.db2.gz OZFGXCMAAVUZKC-UHFFFAOYSA-N -1 3 372.388 3.033 20 0 FGADHM Cc1ccc(-c2ocnc2C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)cc1 ZINC000826280776 607950064 /nfs/dbraw/zinc/95/00/64/607950064.db2.gz OZFGXCMAAVUZKC-UHFFFAOYSA-N -1 3 372.388 3.033 20 0 FGADHM CCC(=O)c1cc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2F)ccc1F ZINC000825034798 607960807 /nfs/dbraw/zinc/96/08/07/607960807.db2.gz QDWCMENCSDGCAG-UHFFFAOYSA-N -1 3 372.331 3.095 20 0 FGADHM CCC(=O)c1cc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2F)ccc1F ZINC000825034798 607960808 /nfs/dbraw/zinc/96/08/08/607960808.db2.gz QDWCMENCSDGCAG-UHFFFAOYSA-N -1 3 372.331 3.095 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CC=C(C(F)(F)F)CC1 ZINC000826452533 607961230 /nfs/dbraw/zinc/96/12/30/607961230.db2.gz XEFLFKHGQWIKQJ-UHFFFAOYSA-N -1 3 372.738 3.246 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CC=C(C(F)(F)F)CC1 ZINC000826452533 607961231 /nfs/dbraw/zinc/96/12/31/607961231.db2.gz XEFLFKHGQWIKQJ-UHFFFAOYSA-N -1 3 372.738 3.246 20 0 FGADHM Cc1cccc(C(=O)Nc2ccccc2-c2nnn[n-]2)c1Br ZINC000826296510 607962754 /nfs/dbraw/zinc/96/27/54/607962754.db2.gz ZRBYCFUSCLEOLQ-UHFFFAOYSA-N -1 3 358.199 3.190 20 0 FGADHM Cc1cccc(C(=O)Nc2ccccc2-c2nn[n-]n2)c1Br ZINC000826296510 607962755 /nfs/dbraw/zinc/96/27/55/607962755.db2.gz ZRBYCFUSCLEOLQ-UHFFFAOYSA-N -1 3 358.199 3.190 20 0 FGADHM COc1cc(C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)ccc1Cl ZINC000826177573 607967537 /nfs/dbraw/zinc/96/75/37/607967537.db2.gz NILYZPNRVVUUFO-UHFFFAOYSA-N -1 3 364.192 3.434 20 0 FGADHM COc1cc(C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)ccc1Cl ZINC000826177573 607967538 /nfs/dbraw/zinc/96/75/38/607967538.db2.gz NILYZPNRVVUUFO-UHFFFAOYSA-N -1 3 364.192 3.434 20 0 FGADHM CCCn1c2ccc(-c3nnn[n-]3)cc2nc1-c1ccc(O)c(OCC)c1 ZINC000825351296 607974646 /nfs/dbraw/zinc/97/46/46/607974646.db2.gz BMBHHTPAOAPMJA-UHFFFAOYSA-N -1 3 364.409 3.398 20 0 FGADHM CCCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1ccc(O)c(OCC)c1 ZINC000825351296 607974647 /nfs/dbraw/zinc/97/46/47/607974647.db2.gz BMBHHTPAOAPMJA-UHFFFAOYSA-N -1 3 364.409 3.398 20 0 FGADHM CCN(C(=O)CC1CCC(OC)CC1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367280 607978320 /nfs/dbraw/zinc/97/83/20/607978320.db2.gz MMKNLCBQTVUVMU-SYJJWHGVSA-N -1 3 371.485 3.372 20 0 FGADHM CCN(C(=O)CC1CCC(OC)CC1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367280 607978321 /nfs/dbraw/zinc/97/83/21/607978321.db2.gz MMKNLCBQTVUVMU-SYJJWHGVSA-N -1 3 371.485 3.372 20 0 FGADHM CC1(C)CCC(CNC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)CC1 ZINC000824796863 607979278 /nfs/dbraw/zinc/97/92/78/607979278.db2.gz SZUCKCYOARXEJQ-UHFFFAOYSA-N -1 3 360.437 3.021 20 0 FGADHM CC1(C)CCC(CNC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)CC1 ZINC000824796863 607979279 /nfs/dbraw/zinc/97/92/79/607979279.db2.gz SZUCKCYOARXEJQ-UHFFFAOYSA-N -1 3 360.437 3.021 20 0 FGADHM OCC[C@@H](Nc1ccc(-c2nn[n-]n2)cc1Br)c1ccccc1 ZINC000826510445 607991645 /nfs/dbraw/zinc/99/16/45/607991645.db2.gz RCIQCENSLPAREW-CQSZACIVSA-N -1 3 374.242 3.165 20 0 FGADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2cnc3ccc(F)cc3c2)s1 ZINC000825693709 608003871 /nfs/dbraw/zinc/00/38/71/608003871.db2.gz AZTBDZIDQHMQKR-UHFFFAOYSA-N -1 3 368.397 3.430 20 0 FGADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2cnc3ccc(F)cc3c2)s1 ZINC000825693709 608003872 /nfs/dbraw/zinc/00/38/72/608003872.db2.gz AZTBDZIDQHMQKR-UHFFFAOYSA-N -1 3 368.397 3.430 20 0 FGADHM Cc1ccc(-c2ncco2)cc1NC(=O)c1sccc1-c1nnn[n-]1 ZINC000826273609 608004074 /nfs/dbraw/zinc/00/40/74/608004074.db2.gz MHBIBRZXNNIIEZ-UHFFFAOYSA-N -1 3 352.379 3.144 20 0 FGADHM Cc1ccc(-c2ncco2)cc1NC(=O)c1sccc1-c1nn[n-]n1 ZINC000826273609 608004075 /nfs/dbraw/zinc/00/40/75/608004075.db2.gz MHBIBRZXNNIIEZ-UHFFFAOYSA-N -1 3 352.379 3.144 20 0 FGADHM Cc1cc([C@@H](NC(=O)Cc2cccc(-c3nnn[n-]3)c2)C2CC2)ccc1F ZINC000826262633 608009772 /nfs/dbraw/zinc/00/97/72/608009772.db2.gz UJPXPLZRGNHWKI-IBGZPJMESA-N -1 3 365.412 3.124 20 0 FGADHM Cc1cc([C@@H](NC(=O)Cc2cccc(-c3nn[n-]n3)c2)C2CC2)ccc1F ZINC000826262633 608009773 /nfs/dbraw/zinc/00/97/73/608009773.db2.gz UJPXPLZRGNHWKI-IBGZPJMESA-N -1 3 365.412 3.124 20 0 FGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N1CCCC12CCCCC2 ZINC000826420503 608010294 /nfs/dbraw/zinc/01/02/94/608010294.db2.gz PPXWEJSZCIYSME-UHFFFAOYSA-N -1 3 357.483 3.284 20 0 FGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N1CCCC12CCCCC2 ZINC000826420503 608010295 /nfs/dbraw/zinc/01/02/95/608010295.db2.gz PPXWEJSZCIYSME-UHFFFAOYSA-N -1 3 357.483 3.284 20 0 FGADHM O=C(CSc1nc2c(cc1-c1nnn[n-]1)CCCC2)C1CCCCC1 ZINC000826420749 608022923 /nfs/dbraw/zinc/02/29/23/608022923.db2.gz ALNYIBGPQAAQEU-UHFFFAOYSA-N -1 3 357.483 3.382 20 0 FGADHM O=C(CSc1nc2c(cc1-c1nn[n-]n1)CCCC2)C1CCCCC1 ZINC000826420749 608022924 /nfs/dbraw/zinc/02/29/24/608022924.db2.gz ALNYIBGPQAAQEU-UHFFFAOYSA-N -1 3 357.483 3.382 20 0 FGADHM CC[C@H](C)n1ncc(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)c1C1CC1 ZINC000825083248 608029817 /nfs/dbraw/zinc/02/98/17/608029817.db2.gz YZVRZEJRZDJGPG-NSHDSACASA-N -1 3 365.441 3.472 20 0 FGADHM CC[C@H](C)n1ncc(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)c1C1CC1 ZINC000825083248 608029818 /nfs/dbraw/zinc/02/98/18/608029818.db2.gz YZVRZEJRZDJGPG-NSHDSACASA-N -1 3 365.441 3.472 20 0 FGADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)c1cccc(-c2ccoc2)c1 ZINC000826468250 608029925 /nfs/dbraw/zinc/02/99/25/608029925.db2.gz IIFDNVIYPJZQKO-UHFFFAOYSA-N -1 3 350.309 3.485 20 0 FGADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)c1cccc(-c2ccoc2)c1 ZINC000826468250 608029926 /nfs/dbraw/zinc/02/99/26/608029926.db2.gz IIFDNVIYPJZQKO-UHFFFAOYSA-N -1 3 350.309 3.485 20 0 FGADHM O=C(c1cccc(-c2nnn[n-]2)c1)N1CCCC[C@H]1CCc1ccccc1 ZINC000826473831 608032176 /nfs/dbraw/zinc/03/21/76/608032176.db2.gz QFURPQVJPFMNNU-IBGZPJMESA-N -1 3 361.449 3.494 20 0 FGADHM O=C(c1cccc(-c2nn[n-]n2)c1)N1CCCC[C@H]1CCc1ccccc1 ZINC000826473831 608032177 /nfs/dbraw/zinc/03/21/77/608032177.db2.gz QFURPQVJPFMNNU-IBGZPJMESA-N -1 3 361.449 3.494 20 0 FGADHM C[C@@]1(CNc2ccc(-c3nn[n-]n3)cc2Br)CCCS1 ZINC000824830813 608051207 /nfs/dbraw/zinc/05/12/07/608051207.db2.gz LTOXIELZGHKMPM-ZDUSSCGKSA-N -1 3 354.277 3.327 20 0 FGADHM CCSCc1ccnc(NCc2ccc(OC)c(-c3nnn[n-]3)c2)c1 ZINC000825674371 608057133 /nfs/dbraw/zinc/05/71/33/608057133.db2.gz KQINZIVBQBONDO-UHFFFAOYSA-N -1 3 356.455 3.136 20 0 FGADHM CCSCc1ccnc(NCc2ccc(OC)c(-c3nn[n-]n3)c2)c1 ZINC000825674371 608057134 /nfs/dbraw/zinc/05/71/34/608057134.db2.gz KQINZIVBQBONDO-UHFFFAOYSA-N -1 3 356.455 3.136 20 0 FGADHM CC(C)Cc1ccc([C@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000824280255 608062287 /nfs/dbraw/zinc/06/22/87/608062287.db2.gz IBENFHVVVBLUEG-ZDUSSCGKSA-N -1 3 350.426 3.202 20 0 FGADHM CC(C)Cc1ccc([C@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000824280255 608062288 /nfs/dbraw/zinc/06/22/88/608062288.db2.gz IBENFHVVVBLUEG-ZDUSSCGKSA-N -1 3 350.426 3.202 20 0 FGADHM C[C@@H](c1cc(F)ccc1F)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824763016 608067288 /nfs/dbraw/zinc/06/72/88/608067288.db2.gz JKTJADRGHQLBPF-SGTLLEGYSA-N -1 3 371.391 3.279 20 0 FGADHM C[C@@H](c1cc(F)ccc1F)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824763016 608067289 /nfs/dbraw/zinc/06/72/89/608067289.db2.gz JKTJADRGHQLBPF-SGTLLEGYSA-N -1 3 371.391 3.279 20 0 FGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N1C[C@H](C)CC[C@H]1C ZINC000824910670 608077945 /nfs/dbraw/zinc/07/79/45/608077945.db2.gz XZISVWWJYXEXQE-CHWSQXEVSA-N -1 3 358.446 3.306 20 0 FGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N1C[C@H](C)CC[C@H]1C ZINC000824910670 608077946 /nfs/dbraw/zinc/07/79/46/608077946.db2.gz XZISVWWJYXEXQE-CHWSQXEVSA-N -1 3 358.446 3.306 20 0 FGADHM CC(=O)Nc1cc(NCc2ccc(-c3nnn[n-]3)cc2F)ccc1Cl ZINC000823999533 608100290 /nfs/dbraw/zinc/10/02/90/608100290.db2.gz DRXGIQVSTMJSSP-UHFFFAOYSA-N -1 3 360.780 3.230 20 0 FGADHM CC(=O)Nc1cc(NCc2ccc(-c3nn[n-]n3)cc2F)ccc1Cl ZINC000823999533 608100291 /nfs/dbraw/zinc/10/02/91/608100291.db2.gz DRXGIQVSTMJSSP-UHFFFAOYSA-N -1 3 360.780 3.230 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cccn1C(C)C ZINC000825317811 608116361 /nfs/dbraw/zinc/11/63/61/608116361.db2.gz CNZXUYPUZYJRPQ-UHFFFAOYSA-N -1 3 352.442 3.302 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cccn1C(C)C ZINC000825317811 608116362 /nfs/dbraw/zinc/11/63/62/608116362.db2.gz CNZXUYPUZYJRPQ-UHFFFAOYSA-N -1 3 352.442 3.302 20 0 FGADHM Nc1c(Cl)cc(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1Cl ZINC000826395838 608122622 /nfs/dbraw/zinc/12/26/22/608122622.db2.gz UXLWLPSTNRBREM-UHFFFAOYSA-N -1 3 367.171 3.147 20 0 FGADHM Nc1c(Cl)cc(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1Cl ZINC000826395838 608122623 /nfs/dbraw/zinc/12/26/23/608122623.db2.gz UXLWLPSTNRBREM-UHFFFAOYSA-N -1 3 367.171 3.147 20 0 FGADHM C[C@H](NCc1cc(Cl)cc2c1OCC2)c1ccc(-c2nnn[n-]2)cc1F ZINC000824612991 608132184 /nfs/dbraw/zinc/13/21/84/608132184.db2.gz QRJXMIPZZZBPQH-JTQLQIEISA-N -1 3 373.819 3.445 20 0 FGADHM C[C@H](NCc1cc(Cl)cc2c1OCC2)c1ccc(-c2nn[n-]n2)cc1F ZINC000824612991 608132185 /nfs/dbraw/zinc/13/21/85/608132185.db2.gz QRJXMIPZZZBPQH-JTQLQIEISA-N -1 3 373.819 3.445 20 0 FGADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)OCCCc1ccccc1Cl ZINC000826422425 608146520 /nfs/dbraw/zinc/14/65/20/608146520.db2.gz YDBVQHUBSGUGGQ-UHFFFAOYSA-N -1 3 356.813 3.239 20 0 FGADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)OCCCc1ccccc1Cl ZINC000826422425 608146521 /nfs/dbraw/zinc/14/65/21/608146521.db2.gz YDBVQHUBSGUGGQ-UHFFFAOYSA-N -1 3 356.813 3.239 20 0 FGADHM O=C(OCc1cc(-c2nnn[n-]2)ccc1F)c1cc(F)c(Cl)cc1F ZINC000826464505 608160234 /nfs/dbraw/zinc/16/02/34/608160234.db2.gz ZGZWPOUQXDAMRN-UHFFFAOYSA-N -1 3 368.702 3.294 20 0 FGADHM O=C(OCc1cc(-c2nn[n-]n2)ccc1F)c1cc(F)c(Cl)cc1F ZINC000826464505 608160237 /nfs/dbraw/zinc/16/02/37/608160237.db2.gz ZGZWPOUQXDAMRN-UHFFFAOYSA-N -1 3 368.702 3.294 20 0 FGADHM Cc1cccc(C2=CCN(C(=O)c3sccc3-c3nnn[n-]3)CC2)c1 ZINC000826297390 608163283 /nfs/dbraw/zinc/16/32/83/608163283.db2.gz FUQPMYLLQGNQBZ-UHFFFAOYSA-N -1 3 351.435 3.166 20 0 FGADHM Cc1cccc(C2=CCN(C(=O)c3sccc3-c3nn[n-]n3)CC2)c1 ZINC000826297390 608163286 /nfs/dbraw/zinc/16/32/86/608163286.db2.gz FUQPMYLLQGNQBZ-UHFFFAOYSA-N -1 3 351.435 3.166 20 0 FGADHM CCC[C@@H](C(=O)Nc1nc2cc(-c3nnn[n-]3)ccc2n1CC)C(C)C ZINC000825226077 608176908 /nfs/dbraw/zinc/17/69/08/608176908.db2.gz YLRBKCTUEUURFK-CYBMUJFWSA-N -1 3 355.446 3.247 20 0 FGADHM CCC[C@@H](C(=O)Nc1nc2cc(-c3nn[n-]n3)ccc2n1CC)C(C)C ZINC000825226077 608176909 /nfs/dbraw/zinc/17/69/09/608176909.db2.gz YLRBKCTUEUURFK-CYBMUJFWSA-N -1 3 355.446 3.247 20 0 FGADHM COc1ccc(C(C)(C)C(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826188168 608182253 /nfs/dbraw/zinc/18/22/53/608182253.db2.gz PGRHMTNDBVDISI-CYBMUJFWSA-N -1 3 366.421 3.457 20 0 FGADHM COc1ccc(C(C)(C)C(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826188168 608182255 /nfs/dbraw/zinc/18/22/55/608182255.db2.gz PGRHMTNDBVDISI-CYBMUJFWSA-N -1 3 366.421 3.457 20 0 FGADHM CCO[C@H](C(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000825576906 608182332 /nfs/dbraw/zinc/18/23/32/608182332.db2.gz QDBPGYAFUCWHEL-DYVFJYSZSA-N -1 3 352.394 3.249 20 0 FGADHM CCO[C@H](C(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000825576906 608182334 /nfs/dbraw/zinc/18/23/34/608182334.db2.gz QDBPGYAFUCWHEL-DYVFJYSZSA-N -1 3 352.394 3.249 20 0 FGADHM COc1ccc(C(F)(F)C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826189005 608185598 /nfs/dbraw/zinc/18/55/98/608185598.db2.gz LEXVKBYDAIGZHP-NSHDSACASA-N -1 3 374.347 3.272 20 0 FGADHM COc1ccc(C(F)(F)C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826189005 608185601 /nfs/dbraw/zinc/18/56/01/608185601.db2.gz LEXVKBYDAIGZHP-NSHDSACASA-N -1 3 374.347 3.272 20 0 FGADHM CC[C@@H](C)[C@@H](O)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825060009 608200220 /nfs/dbraw/zinc/20/02/20/608200220.db2.gz NFOAISKEMGVLAR-SJKOYZFVSA-N -1 3 367.409 3.005 20 0 FGADHM CC[C@@H](C)[C@@H](O)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825060009 608200221 /nfs/dbraw/zinc/20/02/21/608200221.db2.gz NFOAISKEMGVLAR-SJKOYZFVSA-N -1 3 367.409 3.005 20 0 FGADHM C[C@H](Nc1ccc2cc(-c3nnn[n-]3)ccc2n1)c1ccc2c(c1)OCO2 ZINC000824663049 608221265 /nfs/dbraw/zinc/22/12/65/608221265.db2.gz VHBFAGITCRCZNZ-NSHDSACASA-N -1 3 360.377 3.317 20 0 FGADHM C[C@H](Nc1ccc2cc(-c3nn[n-]n3)ccc2n1)c1ccc2c(c1)OCO2 ZINC000824663049 608221267 /nfs/dbraw/zinc/22/12/67/608221267.db2.gz VHBFAGITCRCZNZ-NSHDSACASA-N -1 3 360.377 3.317 20 0 FGADHM C[C@@H](Nc1ccc2cc(-c3nnn[n-]3)ccc2n1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000824657118 608223185 /nfs/dbraw/zinc/22/31/85/608223185.db2.gz OHPPIZCRJXDPMA-SNVBAGLBSA-N -1 3 372.392 3.170 20 0 FGADHM C[C@@H](Nc1ccc2cc(-c3nn[n-]n3)ccc2n1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000824657118 608223187 /nfs/dbraw/zinc/22/31/87/608223187.db2.gz OHPPIZCRJXDPMA-SNVBAGLBSA-N -1 3 372.392 3.170 20 0 FGADHM COc1ccc([C@H](OC)[C@@H](C)Nc2nc(C)cc(C)c2-c2nnn[n-]2)cc1 ZINC000826189731 608239234 /nfs/dbraw/zinc/23/92/34/608239234.db2.gz CYJOTCIEIAEITD-CXAGYDPISA-N -1 3 368.441 3.075 20 0 FGADHM COc1ccc([C@H](OC)[C@@H](C)Nc2nc(C)cc(C)c2-c2nn[n-]n2)cc1 ZINC000826189731 608239236 /nfs/dbraw/zinc/23/92/36/608239236.db2.gz CYJOTCIEIAEITD-CXAGYDPISA-N -1 3 368.441 3.075 20 0 FGADHM COc1ccc([C@@H](OC)[C@H](C)Nc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000826190317 608239988 /nfs/dbraw/zinc/23/99/88/608239988.db2.gz XIHXEKOGNQJZOO-GTNSWQLSSA-N -1 3 357.389 3.203 20 0 FGADHM COc1ccc([C@@H](OC)[C@H](C)Nc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000826190317 608239990 /nfs/dbraw/zinc/23/99/90/608239990.db2.gz XIHXEKOGNQJZOO-GTNSWQLSSA-N -1 3 357.389 3.203 20 0 FGADHM OC[C@@H](Nc1ccc2cc(-c3nnn[n-]3)ccc2n1)c1ccc(Cl)cc1 ZINC000826508665 608242252 /nfs/dbraw/zinc/24/22/52/608242252.db2.gz XXNJOLWQRURWQP-MRXNPFEDSA-N -1 3 366.812 3.214 20 0 FGADHM OC[C@@H](Nc1ccc2cc(-c3nn[n-]n3)ccc2n1)c1ccc(Cl)cc1 ZINC000826508665 608242254 /nfs/dbraw/zinc/24/22/54/608242254.db2.gz XXNJOLWQRURWQP-MRXNPFEDSA-N -1 3 366.812 3.214 20 0 FGADHM CCCn1ncc(C(=O)Nc2sc(C)c(C)c2-c2nnn[n-]2)c1C1CC1 ZINC000825363225 608263598 /nfs/dbraw/zinc/26/35/98/608263598.db2.gz VYICGELXAHFOEV-UHFFFAOYSA-N -1 3 371.470 3.281 20 0 FGADHM CCCn1ncc(C(=O)Nc2sc(C)c(C)c2-c2nn[n-]n2)c1C1CC1 ZINC000825363225 608263600 /nfs/dbraw/zinc/26/36/00/608263600.db2.gz VYICGELXAHFOEV-UHFFFAOYSA-N -1 3 371.470 3.281 20 0 FGADHM C[C@H](NC(=O)N[C@@H](C)c1cccc(F)c1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000824492018 608267998 /nfs/dbraw/zinc/26/79/98/608267998.db2.gz WOEQOIDIAYJGDK-QWRGUYRKSA-N -1 3 372.379 3.266 20 0 FGADHM C[C@H](NC(=O)N[C@@H](C)c1cccc(F)c1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000824492018 608267999 /nfs/dbraw/zinc/26/79/99/608267999.db2.gz WOEQOIDIAYJGDK-QWRGUYRKSA-N -1 3 372.379 3.266 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)c(NCCc2ccc(N3CCCCC3)cc2)n1 ZINC000826276845 608274514 /nfs/dbraw/zinc/27/45/14/608274514.db2.gz ZYXCRJHPAJWUHS-UHFFFAOYSA-N -1 3 363.469 3.215 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)c(NCCc2ccc(N3CCCCC3)cc2)n1 ZINC000826276845 608274516 /nfs/dbraw/zinc/27/45/16/608274516.db2.gz ZYXCRJHPAJWUHS-UHFFFAOYSA-N -1 3 363.469 3.215 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)c(N(C)Cc2csc(Br)c2)n1 ZINC000826274183 608276592 /nfs/dbraw/zinc/27/65/92/608276592.db2.gz JGQDNXZPXMEGGX-UHFFFAOYSA-N -1 3 365.260 3.031 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)c(N(C)Cc2csc(Br)c2)n1 ZINC000826274183 608276593 /nfs/dbraw/zinc/27/65/93/608276593.db2.gz JGQDNXZPXMEGGX-UHFFFAOYSA-N -1 3 365.260 3.031 20 0 FGADHM C[C@H](NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1cccc(F)c1F ZINC000824506206 608282836 /nfs/dbraw/zinc/28/28/36/608282836.db2.gz MOCZCZHEQNLFAC-QMMMGPOBSA-N -1 3 362.315 3.167 20 0 FGADHM C[C@H](NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1cccc(F)c1F ZINC000824506206 608282837 /nfs/dbraw/zinc/28/28/37/608282837.db2.gz MOCZCZHEQNLFAC-QMMMGPOBSA-N -1 3 362.315 3.167 20 0 FGADHM Fc1ccc2c(c1)[C@H](Nc1nc3c(cc1-c1nnn[n-]1)CCCC3)CC2 ZINC000826376198 608285593 /nfs/dbraw/zinc/28/55/93/608285593.db2.gz SMEWDZOFLTXXIA-QGZVFWFLSA-N -1 3 350.401 3.379 20 0 FGADHM Fc1ccc2c(c1)[C@H](Nc1nc3c(cc1-c1nn[n-]n1)CCCC3)CC2 ZINC000826376198 608285595 /nfs/dbraw/zinc/28/55/95/608285595.db2.gz SMEWDZOFLTXXIA-QGZVFWFLSA-N -1 3 350.401 3.379 20 0 FGADHM CC[C@H](C)NC(=S)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000825068111 608289807 /nfs/dbraw/zinc/28/98/07/608289807.db2.gz PVPZXUMEHBYRFQ-ZDUSSCGKSA-N -1 3 366.494 3.296 20 0 FGADHM CC[C@H](C)NC(=S)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000825068111 608289809 /nfs/dbraw/zinc/28/98/09/608289809.db2.gz PVPZXUMEHBYRFQ-ZDUSSCGKSA-N -1 3 366.494 3.296 20 0 FGADHM c1ccc2c(c1)nc(N1CCC[C@@H](C[C@@H]3CCOC3)C1)cc2-c1nnn[n-]1 ZINC000826522788 608296855 /nfs/dbraw/zinc/29/68/55/608296855.db2.gz OHNLHZCPBMSUOQ-GJZGRUSLSA-N -1 3 364.453 3.058 20 0 FGADHM c1ccc2c(c1)nc(N1CCC[C@@H](C[C@@H]3CCOC3)C1)cc2-c1nn[n-]n1 ZINC000826522788 608296856 /nfs/dbraw/zinc/29/68/56/608296856.db2.gz OHNLHZCPBMSUOQ-GJZGRUSLSA-N -1 3 364.453 3.058 20 0 FGADHM COCC1(C)CCN(c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CC1 ZINC000826152696 608297833 /nfs/dbraw/zinc/29/78/33/608297833.db2.gz KBYNSWJXUGDWCP-UHFFFAOYSA-N -1 3 355.364 3.138 20 0 FGADHM COCC1(C)CCN(c2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CC1 ZINC000826152696 608297835 /nfs/dbraw/zinc/29/78/35/608297835.db2.gz KBYNSWJXUGDWCP-UHFFFAOYSA-N -1 3 355.364 3.138 20 0 FGADHM CC(C)(C)[C@H]1C[C@@H](Nc2nc3c(cc2-c2nnn[n-]2)CCCC3)CCO1 ZINC000824079358 608300854 /nfs/dbraw/zinc/30/08/54/608300854.db2.gz OYHFJXHCAUJWES-XJKSGUPXSA-N -1 3 356.474 3.146 20 0 FGADHM CC(C)(C)[C@H]1C[C@@H](Nc2nc3c(cc2-c2nn[n-]n2)CCCC3)CCO1 ZINC000824079358 608300856 /nfs/dbraw/zinc/30/08/56/608300856.db2.gz OYHFJXHCAUJWES-XJKSGUPXSA-N -1 3 356.474 3.146 20 0 FGADHM CC[C@H](CSC)N(C)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000825121525 608302570 /nfs/dbraw/zinc/30/25/70/608302570.db2.gz SINXORXVGLQGSR-GFCCVEGCSA-N -1 3 365.507 3.029 20 0 FGADHM CC[C@H](CSC)N(C)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000825121525 608302572 /nfs/dbraw/zinc/30/25/72/608302572.db2.gz SINXORXVGLQGSR-GFCCVEGCSA-N -1 3 365.507 3.029 20 0 FGADHM CCN(CC)C(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000825406397 608303874 /nfs/dbraw/zinc/30/38/74/608303874.db2.gz MQUPLDVYTCXMJU-UHFFFAOYSA-N -1 3 350.426 3.085 20 0 FGADHM CCN(CC)C(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000825406397 608303876 /nfs/dbraw/zinc/30/38/76/608303876.db2.gz MQUPLDVYTCXMJU-UHFFFAOYSA-N -1 3 350.426 3.085 20 0 FGADHM C[C@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1cccc(F)c1F ZINC000824478777 608314480 /nfs/dbraw/zinc/31/44/80/608314480.db2.gz IJNKVQIVTMXFHE-JUDLJHIGSA-N -1 3 355.348 3.036 20 0 FGADHM C[C@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1cccc(F)c1F ZINC000824478777 608314481 /nfs/dbraw/zinc/31/44/81/608314481.db2.gz IJNKVQIVTMXFHE-JUDLJHIGSA-N -1 3 355.348 3.036 20 0 FGADHM Cc1ccc(F)c(C(=O)O[C@@H](C)COc2cccc(-c3nnn[n-]3)c2)c1F ZINC000826288950 608318308 /nfs/dbraw/zinc/31/83/08/608318308.db2.gz CVQRRJIZQDUONF-NSHDSACASA-N -1 3 374.347 3.078 20 0 FGADHM Cc1ccc(F)c(C(=O)O[C@@H](C)COc2cccc(-c3nn[n-]n3)c2)c1F ZINC000826288950 608318309 /nfs/dbraw/zinc/31/83/09/608318309.db2.gz CVQRRJIZQDUONF-NSHDSACASA-N -1 3 374.347 3.078 20 0 FGADHM C[C@@H](NC(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)C1CC1 ZINC000824499048 608336867 /nfs/dbraw/zinc/33/68/67/608336867.db2.gz NBLZRAQJIKHCDA-CYBMUJFWSA-N -1 3 362.437 3.131 20 0 FGADHM C[C@@H](NC(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)C1CC1 ZINC000824499048 608336870 /nfs/dbraw/zinc/33/68/70/608336870.db2.gz NBLZRAQJIKHCDA-CYBMUJFWSA-N -1 3 362.437 3.131 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)[C@H]1CCCc2ccccc21 ZINC000826171374 608346649 /nfs/dbraw/zinc/34/66/49/608346649.db2.gz LOTBOVQQVZYBNB-KRWDZBQOSA-N -1 3 364.405 3.039 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)[C@H]1CCCc2ccccc21 ZINC000826171374 608346650 /nfs/dbraw/zinc/34/66/50/608346650.db2.gz LOTBOVQQVZYBNB-KRWDZBQOSA-N -1 3 364.405 3.039 20 0 FGADHM CN(CC1CC1)C(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000825901167 608356689 /nfs/dbraw/zinc/35/66/89/608356689.db2.gz CHJMDAHZEPYWCC-UHFFFAOYSA-N -1 3 362.437 3.085 20 0 FGADHM CN(CC1CC1)C(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000825901167 608356691 /nfs/dbraw/zinc/35/66/91/608356691.db2.gz CHJMDAHZEPYWCC-UHFFFAOYSA-N -1 3 362.437 3.085 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)[C@H]1C[C@@H]1c1sccc1C ZINC000826171638 608365384 /nfs/dbraw/zinc/36/53/84/608365384.db2.gz SZPRJTCMIBVMGJ-KBPBESRZSA-N -1 3 370.434 3.092 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)[C@H]1C[C@@H]1c1sccc1C ZINC000826171638 608365386 /nfs/dbraw/zinc/36/53/86/608365386.db2.gz SZPRJTCMIBVMGJ-KBPBESRZSA-N -1 3 370.434 3.092 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)[C@@H]1C[C@H]1c1sccc1C ZINC000826171641 608365390 /nfs/dbraw/zinc/36/53/90/608365390.db2.gz SZPRJTCMIBVMGJ-ZIAGYGMSSA-N -1 3 370.434 3.092 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)[C@@H]1C[C@H]1c1sccc1C ZINC000826171641 608365392 /nfs/dbraw/zinc/36/53/92/608365392.db2.gz SZPRJTCMIBVMGJ-ZIAGYGMSSA-N -1 3 370.434 3.092 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)[C@H]1CCCc2sccc21 ZINC000826171569 608365499 /nfs/dbraw/zinc/36/54/99/608365499.db2.gz RDVPKFKEQKAWID-AWEZNQCLSA-N -1 3 370.434 3.100 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)[C@H]1CCCc2sccc21 ZINC000826171569 608365501 /nfs/dbraw/zinc/36/55/01/608365501.db2.gz RDVPKFKEQKAWID-AWEZNQCLSA-N -1 3 370.434 3.100 20 0 FGADHM c1c(CNc2nc3c(cc2-c2nnn[n-]2)CCCC3)onc1-c1ccccc1 ZINC000826518944 608366454 /nfs/dbraw/zinc/36/64/54/608366454.db2.gz DLRGWPKSNVOZKA-UHFFFAOYSA-N -1 3 373.420 3.408 20 0 FGADHM c1c(CNc2nc3c(cc2-c2nn[n-]n2)CCCC3)onc1-c1ccccc1 ZINC000826518944 608366456 /nfs/dbraw/zinc/36/64/56/608366456.db2.gz DLRGWPKSNVOZKA-UHFFFAOYSA-N -1 3 373.420 3.408 20 0 FGADHM CCc1ccc(N[C@H](C(=O)OC)c2ccc(-c3nnn[n-]3)cc2)cc1CC ZINC000825717950 608390081 /nfs/dbraw/zinc/39/00/81/608390081.db2.gz RPGPQYWOOUJENU-SFHVURJKSA-N -1 3 365.437 3.318 20 0 FGADHM CCc1ccc(N[C@H](C(=O)OC)c2ccc(-c3nn[n-]n3)cc2)cc1CC ZINC000825717950 608390082 /nfs/dbraw/zinc/39/00/82/608390082.db2.gz RPGPQYWOOUJENU-SFHVURJKSA-N -1 3 365.437 3.318 20 0 FGADHM Fc1ccccc1-c1nnc(SCc2cccc(-c3nnn[n-]3)c2F)o1 ZINC000826377970 608394785 /nfs/dbraw/zinc/39/47/85/608394785.db2.gz OYRDJLFTUUPDKL-UHFFFAOYSA-N -1 3 372.360 3.487 20 0 FGADHM Fc1ccccc1-c1nnc(SCc2cccc(-c3nn[n-]n3)c2F)o1 ZINC000826377970 608394788 /nfs/dbraw/zinc/39/47/88/608394788.db2.gz OYRDJLFTUUPDKL-UHFFFAOYSA-N -1 3 372.360 3.487 20 0 FGADHM Fc1cc2nc(SCc3cccc(-c4nnn[n-]4)c3F)[nH]c2cc1F ZINC000826373112 608396750 /nfs/dbraw/zinc/39/67/50/608396750.db2.gz ZKWKXLZKVBSSGC-UHFFFAOYSA-N -1 3 362.340 3.453 20 0 FGADHM Fc1cc2nc(SCc3cccc(-c4nn[n-]n4)c3F)[nH]c2cc1F ZINC000826373112 608396751 /nfs/dbraw/zinc/39/67/51/608396751.db2.gz ZKWKXLZKVBSSGC-UHFFFAOYSA-N -1 3 362.340 3.453 20 0 FGADHM Cc1cccc2ncnc(N3CC=C(c4ccc(-c5nnn[n-]5)cc4)CC3)c12 ZINC000826305373 608441945 /nfs/dbraw/zinc/44/19/45/608441945.db2.gz UJIHYGLTTWHUJQ-UHFFFAOYSA-N -1 3 369.432 3.412 20 0 FGADHM Cc1cccc2ncnc(N3CC=C(c4ccc(-c5nn[n-]n5)cc4)CC3)c12 ZINC000826305373 608441947 /nfs/dbraw/zinc/44/19/47/608441947.db2.gz UJIHYGLTTWHUJQ-UHFFFAOYSA-N -1 3 369.432 3.412 20 0 FGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)c1cccc(Cl)c1F ZINC000826466679 608454288 /nfs/dbraw/zinc/45/42/88/608454288.db2.gz ORHXEVLIWIELAH-UHFFFAOYSA-N -1 3 350.712 3.155 20 0 FGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)c1cccc(Cl)c1F ZINC000826466679 608454289 /nfs/dbraw/zinc/45/42/89/608454289.db2.gz ORHXEVLIWIELAH-UHFFFAOYSA-N -1 3 350.712 3.155 20 0 FGADHM CSc1cccc(NC(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)c1C ZINC000826230619 608473847 /nfs/dbraw/zinc/47/38/47/608473847.db2.gz BOSBSIFHDQZLGS-LBPRGKRZSA-N -1 3 369.450 3.303 20 0 FGADHM Cc1ccc(C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)cc1F ZINC000826281754 608478845 /nfs/dbraw/zinc/47/88/45/608478845.db2.gz ITAYBEWANCELBP-UHFFFAOYSA-N -1 3 363.396 3.244 20 0 FGADHM Cc1ccc(C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)cc1F ZINC000826281754 608478847 /nfs/dbraw/zinc/47/88/47/608478847.db2.gz ITAYBEWANCELBP-UHFFFAOYSA-N -1 3 363.396 3.244 20 0 FGADHM Cc1ccc(CCC(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000826287101 608484714 /nfs/dbraw/zinc/48/47/14/608484714.db2.gz CLDXTKMSJJHSFP-UHFFFAOYSA-N -1 3 373.460 3.424 20 0 FGADHM Cc1ccc(CCC(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000826287101 608484716 /nfs/dbraw/zinc/48/47/16/608484716.db2.gz CLDXTKMSJJHSFP-UHFFFAOYSA-N -1 3 373.460 3.424 20 0 FGADHM C[C@H](NCc1csc(-c2ccoc2)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000824626486 608489777 /nfs/dbraw/zinc/48/97/77/608489777.db2.gz PABABKJINSYXAG-NSHDSACASA-N -1 3 352.423 3.434 20 0 FGADHM O=C(NC1CCCCCC1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826429861 608490425 /nfs/dbraw/zinc/49/04/25/608490425.db2.gz OOXKYGMONVTJPY-UHFFFAOYSA-N -1 3 366.469 3.388 20 0 FGADHM O=C(NC1CCCCCC1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826429861 608490427 /nfs/dbraw/zinc/49/04/27/608490427.db2.gz OOXKYGMONVTJPY-UHFFFAOYSA-N -1 3 366.469 3.388 20 0 FGADHM CN(Cc1cnc(-c2ccccn2)s1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000825961450 608525825 /nfs/dbraw/zinc/52/58/25/608525825.db2.gz FOXDQVJJQPDEET-UHFFFAOYSA-N -1 3 363.450 3.017 20 0 FGADHM Clc1ccc([C@H]2CN(Cc3cc(-c4nnn[n-]4)cs3)CCO2)cc1 ZINC000826351448 608541074 /nfs/dbraw/zinc/54/10/74/608541074.db2.gz MYHDKZKAWNMDNM-OAHLLOKOSA-N -1 3 361.858 3.155 20 0 FGADHM Clc1ccc([C@H]2CN(Cc3cc(-c4nn[n-]n4)cs3)CCO2)cc1 ZINC000826351448 608541076 /nfs/dbraw/zinc/54/10/76/608541076.db2.gz MYHDKZKAWNMDNM-OAHLLOKOSA-N -1 3 361.858 3.155 20 0 FGADHM CC(C)(C)[C@@H](NCc1ccnc(-c2nnn[n-]2)c1)c1ccc(F)cc1F ZINC000824071626 608553158 /nfs/dbraw/zinc/55/31/58/608553158.db2.gz LOOYRFRVXQSDEP-INIZCTEOSA-N -1 3 358.396 3.417 20 0 FGADHM Fc1cc(-c2nnn[n-]2)ccc1CNc1cnn(-c2ccccc2Cl)c1 ZINC000826371605 608569317 /nfs/dbraw/zinc/56/93/17/608569317.db2.gz MGSKNLLCKLHSLS-UHFFFAOYSA-N -1 3 369.791 3.457 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1CNc1cnn(-c2ccccc2Cl)c1 ZINC000826371605 608569319 /nfs/dbraw/zinc/56/93/19/608569319.db2.gz MGSKNLLCKLHSLS-UHFFFAOYSA-N -1 3 369.791 3.457 20 0 FGADHM CC(C)=C[C@H]1[C@@H](C(=O)Nc2nc3c(cc2-c2nnn[n-]2)CCCC3)C1(C)C ZINC000824178595 608569519 /nfs/dbraw/zinc/56/95/19/608569519.db2.gz ZBDWIIBSECLKNE-HOCLYGCPSA-N -1 3 366.469 3.317 20 0 FGADHM CC(C)=C[C@H]1[C@@H](C(=O)Nc2nc3c(cc2-c2nn[n-]n2)CCCC3)C1(C)C ZINC000824178595 608569520 /nfs/dbraw/zinc/56/95/20/608569520.db2.gz ZBDWIIBSECLKNE-HOCLYGCPSA-N -1 3 366.469 3.317 20 0 FGADHM O=C(Nc1nc2c(cc1-c1nnn[n-]1)CCCC2)c1ccc(Cl)cc1 ZINC000826460074 608571400 /nfs/dbraw/zinc/57/14/00/608571400.db2.gz LYQRWKYRHYTQJJ-UHFFFAOYSA-N -1 3 354.801 3.046 20 0 FGADHM O=C(Nc1nc2c(cc1-c1nn[n-]n1)CCCC2)c1ccc(Cl)cc1 ZINC000826460074 608571401 /nfs/dbraw/zinc/57/14/01/608571401.db2.gz LYQRWKYRHYTQJJ-UHFFFAOYSA-N -1 3 354.801 3.046 20 0 FGADHM Cc1ccc(C(=O)C2CCN(Cc3ccc(-c4nnn[n-]4)s3)CC2)cc1 ZINC000826281544 608612275 /nfs/dbraw/zinc/61/22/75/608612275.db2.gz YDNGNGFOKKDHAZ-UHFFFAOYSA-N -1 3 367.478 3.332 20 0 FGADHM Fc1c(CN2CCn3cccc3[C@H]2c2ccccc2)cccc1-c1nnn[n-]1 ZINC000826370790 608651773 /nfs/dbraw/zinc/65/17/73/608651773.db2.gz HJOVLDRCLAHFHK-HXUWFJFHSA-N -1 3 374.423 3.413 20 0 FGADHM Fc1c(CN2CCn3cccc3[C@H]2c2ccccc2)cccc1-c1nn[n-]n1 ZINC000826370790 608651776 /nfs/dbraw/zinc/65/17/76/608651776.db2.gz HJOVLDRCLAHFHK-HXUWFJFHSA-N -1 3 374.423 3.413 20 0 FGADHM Cc1occc1-c1nnc(SCc2cccc(-c3nnn[n-]3)c2F)o1 ZINC000826342342 608669558 /nfs/dbraw/zinc/66/95/58/608669558.db2.gz GZFSQLMWVDYFFN-UHFFFAOYSA-N -1 3 358.358 3.250 20 0 FGADHM Cc1occc1-c1nnc(SCc2cccc(-c3nn[n-]n3)c2F)o1 ZINC000826342342 608669559 /nfs/dbraw/zinc/66/95/59/608669559.db2.gz GZFSQLMWVDYFFN-UHFFFAOYSA-N -1 3 358.358 3.250 20 0 FGADHM FC(F)(F)C1(C(F)(F)F)CCN(Cc2cc(-c3nnn[n-]3)cs2)C1 ZINC000826367303 608717368 /nfs/dbraw/zinc/71/73/68/608717368.db2.gz UEEGLQWZWGZQKT-UHFFFAOYSA-N -1 3 371.310 3.245 20 0 FGADHM FC(F)(F)C1(C(F)(F)F)CCN(Cc2cc(-c3nn[n-]n3)cs2)C1 ZINC000826367303 608717369 /nfs/dbraw/zinc/71/73/69/608717369.db2.gz UEEGLQWZWGZQKT-UHFFFAOYSA-N -1 3 371.310 3.245 20 0 FGADHM CN(Cc1ccc(-c2nnn[n-]2)s1)Cc1nc(C(F)(F)F)cs1 ZINC000825966022 608740438 /nfs/dbraw/zinc/74/04/38/608740438.db2.gz KOIBYCYBKFFIEH-UHFFFAOYSA-N -1 3 360.390 3.036 20 0 FGADHM COC(=O)[C@H](N[C@@H](C)c1cc(C)sc1C)c1cccc(-c2nnn[n-]2)c1 ZINC000826111542 608753681 /nfs/dbraw/zinc/75/36/81/608753681.db2.gz GSNZSDOOTPNBSB-MEDUHNTESA-N -1 3 371.466 3.110 20 0 FGADHM COC(=O)[C@H](N[C@@H](C)c1cc(C)sc1C)c1cccc(-c2nn[n-]n2)c1 ZINC000826111542 608753683 /nfs/dbraw/zinc/75/36/83/608753683.db2.gz GSNZSDOOTPNBSB-MEDUHNTESA-N -1 3 371.466 3.110 20 0 FGADHM CCc1ccc(N[C@@H](C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000825718272 608753831 /nfs/dbraw/zinc/75/38/31/608753831.db2.gz YKYBUPMKYMJTIK-ZDUSSCGKSA-N -1 3 350.426 3.177 20 0 FGADHM CCc1ccc(N[C@@H](C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000825718272 608753834 /nfs/dbraw/zinc/75/38/34/608753834.db2.gz YKYBUPMKYMJTIK-ZDUSSCGKSA-N -1 3 350.426 3.177 20 0 FGADHM c1ccc(COc2ccccc2CNc2cnccc2-c2nnn[n-]2)cc1 ZINC000826522238 608776079 /nfs/dbraw/zinc/77/60/79/608776079.db2.gz SCIHEKZIOYBSSF-UHFFFAOYSA-N -1 3 358.405 3.453 20 0 FGADHM c1ccc(COc2ccccc2CNc2cnccc2-c2nn[n-]n2)cc1 ZINC000826522238 608776081 /nfs/dbraw/zinc/77/60/81/608776081.db2.gz SCIHEKZIOYBSSF-UHFFFAOYSA-N -1 3 358.405 3.453 20 0 FGADHM O=C(NCCCc1cccs1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826437347 608805672 /nfs/dbraw/zinc/80/56/72/608805672.db2.gz HRKBODPUFGMGRY-UHFFFAOYSA-N -1 3 362.846 3.336 20 0 FGADHM O=C(NCCCc1cccs1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826437347 608805674 /nfs/dbraw/zinc/80/56/74/608805674.db2.gz HRKBODPUFGMGRY-UHFFFAOYSA-N -1 3 362.846 3.336 20 0 FGADHM CC(=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1nc(=O)c2ccsc2[nH]1 ZINC000823943945 608881490 /nfs/dbraw/zinc/88/14/90/608881490.db2.gz VNZINZSLAOWKKI-SOFGYWHQSA-N -1 3 354.370 3.277 20 0 FGADHM CC(=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1nc(=O)c2ccsc2[nH]1 ZINC000823943945 608881492 /nfs/dbraw/zinc/88/14/92/608881492.db2.gz VNZINZSLAOWKKI-SOFGYWHQSA-N -1 3 354.370 3.277 20 0 FGADHM CSc1ccccc1CC(=O)Nc1sc(C)c(C)c1-c1nnn[n-]1 ZINC000826230704 609145495 /nfs/dbraw/zinc/14/54/95/609145495.db2.gz GHBBIIBQIDBPIU-UHFFFAOYSA-N -1 3 359.480 3.448 20 0 FGADHM CSc1ccccc1CC(=O)Nc1sc(C)c(C)c1-c1nn[n-]n1 ZINC000826230704 609145496 /nfs/dbraw/zinc/14/54/96/609145496.db2.gz GHBBIIBQIDBPIU-UHFFFAOYSA-N -1 3 359.480 3.448 20 0 FGADHM C[C@H](N[C@H]1COc2c1cccc2Cl)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824553509 609152938 /nfs/dbraw/zinc/15/29/38/609152938.db2.gz BZXWCEDFCHROMA-VFZGTOFNSA-N -1 3 359.792 3.444 20 0 FGADHM C[C@H](N[C@H]1COc2c1cccc2Cl)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824553509 609152939 /nfs/dbraw/zinc/15/29/39/609152939.db2.gz BZXWCEDFCHROMA-VFZGTOFNSA-N -1 3 359.792 3.444 20 0 FGADHM Cc1occc1C(=O)Nc1c(-c2nnn[n-]2)c(C)c(C)n1-c1ccccc1 ZINC000826342649 609168859 /nfs/dbraw/zinc/16/88/59/609168859.db2.gz USUPKVORANKHHY-UHFFFAOYSA-N -1 3 362.393 3.428 20 0 FGADHM Cc1occc1C(=O)Nc1c(-c2nn[n-]n2)c(C)c(C)n1-c1ccccc1 ZINC000826342649 609168861 /nfs/dbraw/zinc/16/88/61/609168861.db2.gz USUPKVORANKHHY-UHFFFAOYSA-N -1 3 362.393 3.428 20 0 FGADHM CCNc1ccc(-c2nn[n-]n2)cc1NCC(=O)N[C@@H](C)CCCC(C)C ZINC000825480649 609177819 /nfs/dbraw/zinc/17/78/19/609177819.db2.gz FDZIWGHJMYWLLK-AWEZNQCLSA-N -1 3 373.505 3.041 20 0 FGADHM Fc1ccc2c(c1)OCCC[C@@H]2NCc1ccc(-c2nn[n-]n2)cc1F ZINC000826375917 609188733 /nfs/dbraw/zinc/18/87/33/609188733.db2.gz HDLBPJYGMCZSNC-INIZCTEOSA-N -1 3 357.364 3.148 20 0 FGADHM CC(C)Cc1ccc([C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C2CC2)cc1 ZINC000824281024 609204741 /nfs/dbraw/zinc/20/47/41/609204741.db2.gz XPRQTUOIGXKLAD-GOSISDBHSA-N -1 3 364.453 3.274 20 0 FGADHM CC(C)Cc1ccc([C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C2CC2)cc1 ZINC000824281024 609204742 /nfs/dbraw/zinc/20/47/42/609204742.db2.gz XPRQTUOIGXKLAD-GOSISDBHSA-N -1 3 364.453 3.274 20 0 FGADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1c(Cl)cccc1Cl ZINC000824420946 609206197 /nfs/dbraw/zinc/20/61/97/609206197.db2.gz QSYCRPUWRQCENL-QMMMGPOBSA-N -1 3 365.224 3.035 20 0 FGADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1c(Cl)cccc1Cl ZINC000824420946 609206199 /nfs/dbraw/zinc/20/61/99/609206199.db2.gz QSYCRPUWRQCENL-QMMMGPOBSA-N -1 3 365.224 3.035 20 0 FGADHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N(Cc1ccc(F)cc1F)C1CCCC1 ZINC000826468806 609218111 /nfs/dbraw/zinc/21/81/11/609218111.db2.gz ITSMCWUDWLDTEJ-UHFFFAOYSA-N -1 3 372.379 3.058 20 0 FGADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N(Cc1ccc(F)cc1F)C1CCCC1 ZINC000826468806 609218113 /nfs/dbraw/zinc/21/81/13/609218113.db2.gz ITSMCWUDWLDTEJ-UHFFFAOYSA-N -1 3 372.379 3.058 20 0 FGADHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N1CCC[C@H](CCCc2ccccc2)C1 ZINC000826469903 609229315 /nfs/dbraw/zinc/22/93/15/609229315.db2.gz VSXTZLVHBJCYNN-INIZCTEOSA-N -1 3 364.453 3.070 20 0 FGADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1CCC[C@H](CCCc2ccccc2)C1 ZINC000826469903 609229317 /nfs/dbraw/zinc/22/93/17/609229317.db2.gz VSXTZLVHBJCYNN-INIZCTEOSA-N -1 3 364.453 3.070 20 0 FGADHM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)OCc1ccc(CF)cc1 ZINC000826420319 609239477 /nfs/dbraw/zinc/23/94/77/609239477.db2.gz HZCJPELULUDGPG-UHFFFAOYSA-N -1 3 372.425 3.313 20 0 FGADHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)OCc1ccc(CF)cc1 ZINC000826420319 609239479 /nfs/dbraw/zinc/23/94/79/609239479.db2.gz HZCJPELULUDGPG-UHFFFAOYSA-N -1 3 372.425 3.313 20 0 FGADHM COCCc1nc2cc(N[C@@H](C)c3cccc(-c4nnn[n-]4)c3)ccc2o1 ZINC000826163093 609243116 /nfs/dbraw/zinc/24/31/16/609243116.db2.gz GDPOLFIRVIAODU-LBPRGKRZSA-N -1 3 364.409 3.370 20 0 FGADHM COCCc1nc2cc(N[C@@H](C)c3cccc(-c4nn[n-]n4)c3)ccc2o1 ZINC000826163093 609243117 /nfs/dbraw/zinc/24/31/17/609243117.db2.gz GDPOLFIRVIAODU-LBPRGKRZSA-N -1 3 364.409 3.370 20 0 FGADHM C[C@@H](Nc1ccccc1O[C@H]1CCOC1)c1cccc(-c2nnn[n-]2)c1 ZINC000824662513 609245400 /nfs/dbraw/zinc/24/54/00/609245400.db2.gz MAHBGGPXTQUYNG-CJNGLKHVSA-N -1 3 351.410 3.208 20 0 FGADHM C[C@@H](Nc1ccccc1O[C@H]1CCOC1)c1cccc(-c2nn[n-]n2)c1 ZINC000824662513 609245402 /nfs/dbraw/zinc/24/54/02/609245402.db2.gz MAHBGGPXTQUYNG-CJNGLKHVSA-N -1 3 351.410 3.208 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C=Cc1cccc(O)c1 ZINC000825313486 609268100 /nfs/dbraw/zinc/26/81/00/609268100.db2.gz HCJDKDXWOMCGSW-FLIBITNWSA-N -1 3 363.421 3.024 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C=Cc1cccc(O)c1 ZINC000825313486 609268102 /nfs/dbraw/zinc/26/81/02/609268102.db2.gz HCJDKDXWOMCGSW-FLIBITNWSA-N -1 3 363.421 3.024 20 0 FGADHM CCCNC(=O)c1cccc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000825332620 609273977 /nfs/dbraw/zinc/27/39/77/609273977.db2.gz KLLRLFRUBXGFHP-CYBMUJFWSA-N -1 3 350.426 3.180 20 0 FGADHM CCCNC(=O)c1cccc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000825332620 609273979 /nfs/dbraw/zinc/27/39/79/609273979.db2.gz KLLRLFRUBXGFHP-CYBMUJFWSA-N -1 3 350.426 3.180 20 0 FGADHM CCNC(=O)c1ccc(C)c(N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000825476504 609274049 /nfs/dbraw/zinc/27/40/49/609274049.db2.gz MAJXFUBIGYSXGN-CYBMUJFWSA-N -1 3 350.426 3.098 20 0 FGADHM CCNC(=O)c1ccc(C)c(N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000825476504 609274051 /nfs/dbraw/zinc/27/40/51/609274051.db2.gz MAJXFUBIGYSXGN-CYBMUJFWSA-N -1 3 350.426 3.098 20 0 FGADHM Fc1cccc(-n2ccc(NCCCCC(F)(F)F)n2)c1-c1nnn[n-]1 ZINC000826376775 609279325 /nfs/dbraw/zinc/27/93/25/609279325.db2.gz RAUOZPSQFZMMPS-UHFFFAOYSA-N -1 3 369.326 3.336 20 0 FGADHM COc1ccc(CNc2ccc3sc(C)nc3c2)cc1-c1nnn[n-]1 ZINC000826204071 609280400 /nfs/dbraw/zinc/28/04/00/609280400.db2.gz VZRKPQPRAXHCBY-UHFFFAOYSA-N -1 3 352.423 3.406 20 0 FGADHM COc1ccc(CNc2ccc3sc(C)nc3c2)cc1-c1nn[n-]n1 ZINC000826204071 609280401 /nfs/dbraw/zinc/28/04/01/609280401.db2.gz VZRKPQPRAXHCBY-UHFFFAOYSA-N -1 3 352.423 3.406 20 0 FGADHM CCC[C@H](C(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1)C(C)C ZINC000825224682 609290643 /nfs/dbraw/zinc/29/06/43/609290643.db2.gz BESGDBNQTFZOQR-LBPRGKRZSA-N -1 3 371.420 3.202 20 0 FGADHM CSc1ccccc1COC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000826231207 609293851 /nfs/dbraw/zinc/29/38/51/609293851.db2.gz BPSDXKKRBHOEFN-UHFFFAOYSA-N -1 3 362.361 3.224 20 0 FGADHM CSc1ccccc1COC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826231207 609293852 /nfs/dbraw/zinc/29/38/52/609293852.db2.gz BPSDXKKRBHOEFN-UHFFFAOYSA-N -1 3 362.361 3.224 20 0 FGADHM CSc1ccccc1CN1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826231494 609295851 /nfs/dbraw/zinc/29/58/51/609295851.db2.gz NLOJOPOONSGIMV-KRWDZBQOSA-N -1 3 367.478 3.162 20 0 FGADHM Cc1c(C(=O)OCc2cccc(-c3nnn[n-]3)c2)cnn1C1CCCCC1 ZINC000826234669 609295982 /nfs/dbraw/zinc/29/59/82/609295982.db2.gz IPUOETABMKIMPW-UHFFFAOYSA-N -1 3 366.425 3.234 20 0 FGADHM Cc1c(C(=O)OCc2cccc(-c3nn[n-]n3)c2)cnn1C1CCCCC1 ZINC000826234669 609295984 /nfs/dbraw/zinc/29/59/84/609295984.db2.gz IPUOETABMKIMPW-UHFFFAOYSA-N -1 3 366.425 3.234 20 0 FGADHM COc1c(F)cc(NC(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)cc1F ZINC000826167192 609298147 /nfs/dbraw/zinc/29/81/47/609298147.db2.gz SVIDITCHZPPJQL-UHFFFAOYSA-N -1 3 365.727 3.059 20 0 FGADHM COc1c(F)cc(NC(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)cc1F ZINC000826167192 609298148 /nfs/dbraw/zinc/29/81/48/609298148.db2.gz SVIDITCHZPPJQL-UHFFFAOYSA-N -1 3 365.727 3.059 20 0 FGADHM Cc1nnc(SCCCOCCc2ccccc2)c(-c2nnn[n-]2)c1C ZINC000826336741 609304578 /nfs/dbraw/zinc/30/45/78/609304578.db2.gz LOMKODUNQZGTSF-UHFFFAOYSA-N -1 3 370.482 3.015 20 0 FGADHM Cc1nnc(SCCCOCCc2ccccc2)c(-c2nn[n-]n2)c1C ZINC000826336741 609304580 /nfs/dbraw/zinc/30/45/80/609304580.db2.gz LOMKODUNQZGTSF-UHFFFAOYSA-N -1 3 370.482 3.015 20 0 FGADHM CC(=O)c1ccc(OCc2ccc(-c3nnn[n-]3)cc2Br)cc1 ZINC000824029658 609305639 /nfs/dbraw/zinc/30/56/39/609305639.db2.gz PBEIYIFJLXOQGE-UHFFFAOYSA-N -1 3 373.210 3.411 20 0 FGADHM CC(=O)c1ccc(OCc2ccc(-c3nn[n-]n3)cc2Br)cc1 ZINC000824029658 609305641 /nfs/dbraw/zinc/30/56/41/609305641.db2.gz PBEIYIFJLXOQGE-UHFFFAOYSA-N -1 3 373.210 3.411 20 0 FGADHM Cc1nc(C)c(-c2nnn[n-]2)c(S[C@H](C)c2nc3ccccc3o2)n1 ZINC000826324034 609307718 /nfs/dbraw/zinc/30/77/18/609307718.db2.gz BOQUZCAPDLLPAM-SECBINFHSA-N -1 3 353.411 3.268 20 0 FGADHM Cc1nnc(SCc2cccc(F)c2Cl)c(-c2nnn[n-]2)c1C ZINC000826337302 609308913 /nfs/dbraw/zinc/30/89/13/609308913.db2.gz JTZKILAXPNNIGV-UHFFFAOYSA-N -1 3 350.810 3.358 20 0 FGADHM Cc1nnc(SCc2cccc(F)c2Cl)c(-c2nn[n-]n2)c1C ZINC000826337302 609308915 /nfs/dbraw/zinc/30/89/15/609308915.db2.gz JTZKILAXPNNIGV-UHFFFAOYSA-N -1 3 350.810 3.358 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)c1c(Cl)cccc1Cl ZINC000826186206 609316672 /nfs/dbraw/zinc/31/66/72/609316672.db2.gz JRMGASKPMFBJQQ-UHFFFAOYSA-N -1 3 364.192 3.434 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)c1c(Cl)cccc1Cl ZINC000826186206 609316674 /nfs/dbraw/zinc/31/66/74/609316674.db2.gz JRMGASKPMFBJQQ-UHFFFAOYSA-N -1 3 364.192 3.434 20 0 FGADHM Brc1cc(-c2nnn[n-]2)ccc1CSC[C@@H]1CCCOC1 ZINC000823821736 609328103 /nfs/dbraw/zinc/32/81/03/609328103.db2.gz YWFVEMNLJXDYLK-SNVBAGLBSA-N -1 3 369.288 3.289 20 0 FGADHM Brc1cc(-c2nn[n-]n2)ccc1CSC[C@@H]1CCCOC1 ZINC000823821736 609328104 /nfs/dbraw/zinc/32/81/04/609328104.db2.gz YWFVEMNLJXDYLK-SNVBAGLBSA-N -1 3 369.288 3.289 20 0 FGADHM Cc1ccsc1COC(=O)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC000826316665 609338482 /nfs/dbraw/zinc/33/84/82/609338482.db2.gz UZQDLCLUFZUODF-INIZCTEOSA-N -1 3 372.450 3.383 20 0 FGADHM Cc1ccsc1COC(=O)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(C)C ZINC000826316665 609338484 /nfs/dbraw/zinc/33/84/84/609338484.db2.gz UZQDLCLUFZUODF-INIZCTEOSA-N -1 3 372.450 3.383 20 0 FGADHM CCC[C@@H](C)C(=O)OCc1ccc(-c2nnn[n-]2)cc1Br ZINC000825234230 609342243 /nfs/dbraw/zinc/34/22/43/609342243.db2.gz XPIXZDLXYUMVOX-SECBINFHSA-N -1 3 353.220 3.109 20 0 FGADHM CCC[C@@H](C)C(=O)OCc1ccc(-c2nn[n-]n2)cc1Br ZINC000825234230 609342245 /nfs/dbraw/zinc/34/22/45/609342245.db2.gz XPIXZDLXYUMVOX-SECBINFHSA-N -1 3 353.220 3.109 20 0 FGADHM Cn1cc(CNc2cc(F)cc(F)c2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826361840 609343584 /nfs/dbraw/zinc/34/35/84/609343584.db2.gz RGTQXTHEBLYDNN-UHFFFAOYSA-N -1 3 367.363 3.158 20 0 FGADHM Cn1cc(CNc2cc(F)cc(F)c2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826361840 609343585 /nfs/dbraw/zinc/34/35/85/609343585.db2.gz RGTQXTHEBLYDNN-UHFFFAOYSA-N -1 3 367.363 3.158 20 0 FGADHM C[C@H](N[C@H]1COc2ccc(Cl)cc21)c1ccc(-c2nnn[n-]2)cc1F ZINC000824554497 609343752 /nfs/dbraw/zinc/34/37/52/609343752.db2.gz PSMJQZAHJPEMRS-VFZGTOFNSA-N -1 3 359.792 3.444 20 0 FGADHM C[C@H](N[C@H]1COc2ccc(Cl)cc21)c1ccc(-c2nn[n-]n2)cc1F ZINC000824554497 609343753 /nfs/dbraw/zinc/34/37/53/609343753.db2.gz PSMJQZAHJPEMRS-VFZGTOFNSA-N -1 3 359.792 3.444 20 0 FGADHM C[C@@H]1CC[C@H](C(=O)OCc2ccc(-c3nnn[n-]3)cc2Br)C1 ZINC000824908790 609349368 /nfs/dbraw/zinc/34/93/68/609349368.db2.gz QOFYNRBIUMMINZ-KOLCDFICSA-N -1 3 365.231 3.109 20 0 FGADHM C[C@@H]1CC[C@H](C(=O)OCc2ccc(-c3nn[n-]n3)cc2Br)C1 ZINC000824908790 609349370 /nfs/dbraw/zinc/34/93/70/609349370.db2.gz QOFYNRBIUMMINZ-KOLCDFICSA-N -1 3 365.231 3.109 20 0 FGADHM CC(C)[C@H]1C[C@H](CC(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)CCO1 ZINC000824216359 609380182 /nfs/dbraw/zinc/38/01/82/609380182.db2.gz QEFMNYNTRIMUQP-UKRRQHHQSA-N -1 3 374.489 3.203 20 0 FGADHM CC(C)[C@H]1C[C@H](CC(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)CCO1 ZINC000824216359 609380185 /nfs/dbraw/zinc/38/01/85/609380185.db2.gz QEFMNYNTRIMUQP-UKRRQHHQSA-N -1 3 374.489 3.203 20 0 FGADHM CC1(C)CC[C@H](C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)C1 ZINC000824795913 609380226 /nfs/dbraw/zinc/38/02/26/609380226.db2.gz ITRGMCZJJLDVBY-JTQLQIEISA-N -1 3 351.357 3.233 20 0 FGADHM CC1(C)CC[C@H](C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)C1 ZINC000824795913 609380227 /nfs/dbraw/zinc/38/02/27/609380227.db2.gz ITRGMCZJJLDVBY-JTQLQIEISA-N -1 3 351.357 3.233 20 0 FGADHM CCc1c(C)sc(NC(=O)C[C@@H]2CCO[C@@H](CC)C2)c1-c1nnn[n-]1 ZINC000825686937 609382645 /nfs/dbraw/zinc/38/26/45/609382645.db2.gz CEMFRCIZNWNVKL-NEPJUHHUSA-N -1 3 363.487 3.333 20 0 FGADHM CCc1c(C)sc(NC(=O)C[C@@H]2CCO[C@@H](CC)C2)c1-c1nn[n-]n1 ZINC000825686937 609382647 /nfs/dbraw/zinc/38/26/47/609382647.db2.gz CEMFRCIZNWNVKL-NEPJUHHUSA-N -1 3 363.487 3.333 20 0 FGADHM CC(C)C1CN(C(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)C1 ZINC000824223677 609390009 /nfs/dbraw/zinc/39/00/09/609390009.db2.gz JWFJSSPTKVYQDA-UHFFFAOYSA-N -1 3 363.421 3.387 20 0 FGADHM CC(C)C1CN(C(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)C1 ZINC000824223677 609390011 /nfs/dbraw/zinc/39/00/11/609390011.db2.gz JWFJSSPTKVYQDA-UHFFFAOYSA-N -1 3 363.421 3.387 20 0 FGADHM C[C@@H]1CC[C@@]2(CCN(C(=O)CSCc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC000824917214 609396833 /nfs/dbraw/zinc/39/68/33/609396833.db2.gz MRGQQRHASUJILO-AUUYWEPGSA-N -1 3 371.510 3.139 20 0 FGADHM C[C@@H]1CC[C@@]2(CCN(C(=O)CSCc3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC000824917214 609396837 /nfs/dbraw/zinc/39/68/37/609396837.db2.gz MRGQQRHASUJILO-AUUYWEPGSA-N -1 3 371.510 3.139 20 0 FGADHM O=C(N[C@]1(C(F)(F)F)CCc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000826427712 609407086 /nfs/dbraw/zinc/40/70/86/609407086.db2.gz XWWDSCTZKRTBII-QGZVFWFLSA-N -1 3 373.338 3.001 20 0 FGADHM O=C(N[C@]1(C(F)(F)F)CCc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000826427712 609407088 /nfs/dbraw/zinc/40/70/88/609407088.db2.gz XWWDSCTZKRTBII-QGZVFWFLSA-N -1 3 373.338 3.001 20 0 FGADHM CC(C)(C)Sc1cc(C(=O)Nc2cccc(-c3nnn[n-]3)c2)ccn1 ZINC000778556521 609407207 /nfs/dbraw/zinc/40/72/07/609407207.db2.gz NLHHUBUAQIJKSY-UHFFFAOYSA-N -1 3 354.439 3.405 20 0 FGADHM CC(C)(C)Sc1cc(C(=O)Nc2cccc(-c3nn[n-]n3)c2)ccn1 ZINC000778556521 609407210 /nfs/dbraw/zinc/40/72/10/609407210.db2.gz NLHHUBUAQIJKSY-UHFFFAOYSA-N -1 3 354.439 3.405 20 0 FGADHM O=C1[C@@H](Sc2cccs2)CCCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000826477462 609419844 /nfs/dbraw/zinc/41/98/44/609419844.db2.gz DRIBMSKPJXRFFH-ZDUSSCGKSA-N -1 3 357.464 3.216 20 0 FGADHM O=C1[C@@H](Sc2cccs2)CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826477462 609419847 /nfs/dbraw/zinc/41/98/47/609419847.db2.gz DRIBMSKPJXRFFH-ZDUSSCGKSA-N -1 3 357.464 3.216 20 0 FGADHM CCOCc1ccc(CNc2cc(-c3nnn[n-]3)ccc2C(C)=O)cc1 ZINC000825605663 609420583 /nfs/dbraw/zinc/42/05/83/609420583.db2.gz ZYFCEBCHXVKVPL-UHFFFAOYSA-N -1 3 351.410 3.218 20 0 FGADHM CCOCc1ccc(CNc2cc(-c3nn[n-]n3)ccc2C(C)=O)cc1 ZINC000825605663 609420585 /nfs/dbraw/zinc/42/05/85/609420585.db2.gz ZYFCEBCHXVKVPL-UHFFFAOYSA-N -1 3 351.410 3.218 20 0 FGADHM O=C(C[C@@H]1CCCN1c1cccc(F)c1-c1nnn[n-]1)c1cccs1 ZINC000826404430 609430025 /nfs/dbraw/zinc/43/00/25/609430025.db2.gz AFESYKLICOLBMA-NSHDSACASA-N -1 3 357.414 3.309 20 0 FGADHM O=C(C[C@@H]1CCCN1c1cccc(F)c1-c1nn[n-]n1)c1cccs1 ZINC000826404430 609430027 /nfs/dbraw/zinc/43/00/27/609430027.db2.gz AFESYKLICOLBMA-NSHDSACASA-N -1 3 357.414 3.309 20 0 FGADHM Fc1cc(Nc2ncccc2-c2nnn[n-]2)cc(F)c1N1CCCCC1 ZINC000826373056 609437600 /nfs/dbraw/zinc/43/76/00/609437600.db2.gz YAUZGVCPKJHWNL-UHFFFAOYSA-N -1 3 357.368 3.274 20 0 FGADHM Fc1cc(Nc2ncccc2-c2nn[n-]n2)cc(F)c1N1CCCCC1 ZINC000826373056 609437602 /nfs/dbraw/zinc/43/76/02/609437602.db2.gz YAUZGVCPKJHWNL-UHFFFAOYSA-N -1 3 357.368 3.274 20 0 FGADHM CSCCCCCCNC(=S)Nc1cccc(-c2nnn[n-]2)c1C ZINC000826228345 609444541 /nfs/dbraw/zinc/44/45/41/609444541.db2.gz MDQKVESMXIAVEP-UHFFFAOYSA-N -1 3 364.544 3.385 20 0 FGADHM CSCCCCCCNC(=S)Nc1cccc(-c2nn[n-]n2)c1C ZINC000826228345 609444543 /nfs/dbraw/zinc/44/45/43/609444543.db2.gz MDQKVESMXIAVEP-UHFFFAOYSA-N -1 3 364.544 3.385 20 0 FGADHM Cc1ccc(-c2csc(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)n2)cc1C ZINC000826273711 609444555 /nfs/dbraw/zinc/44/45/55/609444555.db2.gz QQNXWUWWKQYGBY-UHFFFAOYSA-N -1 3 365.422 3.187 20 0 FGADHM Cc1ccc(-c2csc(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)n2)cc1C ZINC000826273711 609444557 /nfs/dbraw/zinc/44/45/57/609444557.db2.gz QQNXWUWWKQYGBY-UHFFFAOYSA-N -1 3 365.422 3.187 20 0 FGADHM COCC1(C(=O)Nc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)CC1 ZINC000826153026 609448227 /nfs/dbraw/zinc/44/82/27/609448227.db2.gz YTHHMFADLQKFAN-UHFFFAOYSA-N -1 3 365.393 3.024 20 0 FGADHM COCC1(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)CC1 ZINC000826153026 609448229 /nfs/dbraw/zinc/44/82/29/609448229.db2.gz YTHHMFADLQKFAN-UHFFFAOYSA-N -1 3 365.393 3.024 20 0 FGADHM CCn1c(C)nnc1CSc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000825782808 609450748 /nfs/dbraw/zinc/45/07/48/609450748.db2.gz QHSWWWOQIINWJR-UHFFFAOYSA-N -1 3 369.376 3.098 20 0 FGADHM CCn1c(C)nnc1CSc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000825782808 609450750 /nfs/dbraw/zinc/45/07/50/609450750.db2.gz QHSWWWOQIINWJR-UHFFFAOYSA-N -1 3 369.376 3.098 20 0 FGADHM CCCCNC(=O)[C@@H](C)Sc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000825285371 609452039 /nfs/dbraw/zinc/45/20/39/609452039.db2.gz SOTACKTUMAUSOE-SECBINFHSA-N -1 3 373.404 3.282 20 0 FGADHM CCCCNC(=O)[C@@H](C)Sc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000825285371 609452041 /nfs/dbraw/zinc/45/20/41/609452041.db2.gz SOTACKTUMAUSOE-SECBINFHSA-N -1 3 373.404 3.282 20 0 FGADHM FC(F)(F)[C@H]1CCC[C@@H](Nc2nc3ccccn3c2-c2nnn[n-]2)C1 ZINC000826367171 609460305 /nfs/dbraw/zinc/46/03/05/609460305.db2.gz OJZCTNTZGFULNA-VHSXEESVSA-N -1 3 351.336 3.047 20 0 FGADHM FC(F)(F)[C@H]1CCC[C@@H](Nc2nc3ccccn3c2-c2nn[n-]n2)C1 ZINC000826367171 609460308 /nfs/dbraw/zinc/46/03/08/609460308.db2.gz OJZCTNTZGFULNA-VHSXEESVSA-N -1 3 351.336 3.047 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NCc1cccc(OC(F)F)c1 ZINC000825631457 609476938 /nfs/dbraw/zinc/47/69/38/609476938.db2.gz ACCQJYFGTYYHHH-UHFFFAOYSA-N -1 3 361.352 3.479 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NCc1cccc(OC(F)F)c1 ZINC000825631457 609476939 /nfs/dbraw/zinc/47/69/39/609476939.db2.gz ACCQJYFGTYYHHH-UHFFFAOYSA-N -1 3 361.352 3.479 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NCc1ccc(OC[C@H]2CCCO2)cc1 ZINC000826278407 609479465 /nfs/dbraw/zinc/47/94/65/609479465.db2.gz AWRFAAXCWMWROO-GOSISDBHSA-N -1 3 365.437 3.345 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NCc1ccc(OC[C@H]2CCCO2)cc1 ZINC000826278407 609479467 /nfs/dbraw/zinc/47/94/67/609479467.db2.gz AWRFAAXCWMWROO-GOSISDBHSA-N -1 3 365.437 3.345 20 0 FGADHM Cc1nn(-c2ccc(-c3nn[n-]n3)cc2)c(NC(=O)[C@H]2CCC[C@H]2C)c1C ZINC000826331766 609503363 /nfs/dbraw/zinc/50/33/63/609503363.db2.gz XHFQVAKTTNIBCO-BZNIZROVSA-N -1 3 365.441 3.044 20 0 FGADHM Cc1c(Cl)cnc(NCCCOC2CCCCC2)c1-c1nnn[n-]1 ZINC000826240018 609525278 /nfs/dbraw/zinc/52/52/78/609525278.db2.gz YIGAHGGDBJENCX-UHFFFAOYSA-N -1 3 350.854 3.375 20 0 FGADHM Cc1c(Cl)cnc(NCCCOC2CCCCC2)c1-c1nn[n-]n1 ZINC000826240018 609525280 /nfs/dbraw/zinc/52/52/80/609525280.db2.gz YIGAHGGDBJENCX-UHFFFAOYSA-N -1 3 350.854 3.375 20 0 FGADHM Cc1c(Cl)cnc(NC[C@H](O)c2ccc(Cl)cc2)c1-c1nnn[n-]1 ZINC000826239621 609529015 /nfs/dbraw/zinc/52/90/15/609529015.db2.gz LUHAPQGINFWNIA-LBPRGKRZSA-N -1 3 365.224 3.022 20 0 FGADHM Cc1c(Cl)cnc(NC[C@H](O)c2ccc(Cl)cc2)c1-c1nn[n-]n1 ZINC000826239621 609529017 /nfs/dbraw/zinc/52/90/17/609529017.db2.gz LUHAPQGINFWNIA-LBPRGKRZSA-N -1 3 365.224 3.022 20 0 FGADHM CC[C@H](C)[C@H](C)C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(F)(F)F ZINC000825050331 609529939 /nfs/dbraw/zinc/52/99/39/609529939.db2.gz HVOSAQQWQZHRBF-RYUDHWBXSA-N -1 3 369.391 3.440 20 0 FGADHM CC[C@H](C)[C@H](C)C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(F)(F)F ZINC000825050331 609529943 /nfs/dbraw/zinc/52/99/43/609529943.db2.gz HVOSAQQWQZHRBF-RYUDHWBXSA-N -1 3 369.391 3.440 20 0 FGADHM Cc1c(Cl)cnc(NCc2ccc(OC(C)C)nc2)c1-c1nnn[n-]1 ZINC000826240286 609535911 /nfs/dbraw/zinc/53/59/11/609535911.db2.gz LNJWQSBEHBNTRQ-UHFFFAOYSA-N -1 3 359.821 3.018 20 0 FGADHM Cc1c(Cl)cnc(NCc2ccc(OC(C)C)nc2)c1-c1nn[n-]n1 ZINC000826240286 609535913 /nfs/dbraw/zinc/53/59/13/609535913.db2.gz LNJWQSBEHBNTRQ-UHFFFAOYSA-N -1 3 359.821 3.018 20 0 FGADHM Cc1ccnc(NC[C@@H](O)c2cc(Cl)cc(Cl)c2)c1-c1nnn[n-]1 ZINC000826312297 609558382 /nfs/dbraw/zinc/55/83/82/609558382.db2.gz AYJNBDQBDFZIPK-GFCCVEGCSA-N -1 3 365.224 3.022 20 0 FGADHM Cc1ccnc(NC[C@@H](O)c2cc(Cl)cc(Cl)c2)c1-c1nn[n-]n1 ZINC000826312297 609558384 /nfs/dbraw/zinc/55/83/84/609558384.db2.gz AYJNBDQBDFZIPK-GFCCVEGCSA-N -1 3 365.224 3.022 20 0 FGADHM COCCN(C(=O)[C@H]1C[C@@H](C)CC(C)(C)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826157320 609589759 /nfs/dbraw/zinc/58/97/59/609589759.db2.gz QUKSJZYSCVJVLZ-ZBFHGGJFSA-N -1 3 371.485 3.309 20 0 FGADHM COCCN(C(=O)[C@H]1C[C@@H](C)CC(C)(C)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826157320 609589761 /nfs/dbraw/zinc/58/97/61/609589761.db2.gz QUKSJZYSCVJVLZ-ZBFHGGJFSA-N -1 3 371.485 3.309 20 0 FGADHM O=C(Nc1ccc(Cl)c(OC(F)F)c1)c1sccc1-c1nnn[n-]1 ZINC000826453711 609607218 /nfs/dbraw/zinc/60/72/18/609607218.db2.gz WPPMHAMULQMGLB-UHFFFAOYSA-N -1 3 371.756 3.435 20 0 FGADHM O=C(Nc1ccc(Cl)c(OC(F)F)c1)c1sccc1-c1nn[n-]n1 ZINC000826453711 609607219 /nfs/dbraw/zinc/60/72/19/609607219.db2.gz WPPMHAMULQMGLB-UHFFFAOYSA-N -1 3 371.756 3.435 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1ncccc1-c1ccccc1 ZINC000826423456 609608945 /nfs/dbraw/zinc/60/89/45/609608945.db2.gz PTOYRMPKZAKQJI-UHFFFAOYSA-N -1 3 356.389 3.110 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1ncccc1-c1ccccc1 ZINC000826423456 609608946 /nfs/dbraw/zinc/60/89/46/609608946.db2.gz PTOYRMPKZAKQJI-UHFFFAOYSA-N -1 3 356.389 3.110 20 0 FGADHM CSCCCCCCNC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826228274 609609311 /nfs/dbraw/zinc/60/93/11/609609311.db2.gz KEHUAEWEPJYYEA-ZDUSSCGKSA-N -1 3 362.503 3.150 20 0 FGADHM CSCCCCCCNC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826228274 609609312 /nfs/dbraw/zinc/60/93/12/609609312.db2.gz KEHUAEWEPJYYEA-ZDUSSCGKSA-N -1 3 362.503 3.150 20 0 FGADHM CS[C@@H](CNC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)C(C)(C)C ZINC000826225690 609609372 /nfs/dbraw/zinc/60/93/72/609609372.db2.gz IMPVZOMADWZBOT-FZMZJTMJSA-N -1 3 362.503 3.005 20 0 FGADHM CS[C@@H](CNC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)C(C)(C)C ZINC000826225690 609609374 /nfs/dbraw/zinc/60/93/74/609609374.db2.gz IMPVZOMADWZBOT-FZMZJTMJSA-N -1 3 362.503 3.005 20 0 FGADHM CCCCS[C@H](C)C(=O)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000825296871 609616925 /nfs/dbraw/zinc/61/69/25/609616925.db2.gz YNUHTXSWFBDPAC-SNVBAGLBSA-N -1 3 354.863 3.485 20 0 FGADHM CCCCS[C@H](C)C(=O)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000825296871 609616926 /nfs/dbraw/zinc/61/69/26/609616926.db2.gz YNUHTXSWFBDPAC-SNVBAGLBSA-N -1 3 354.863 3.485 20 0 FGADHM COCCC1(C(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)CCCC1 ZINC000826155546 609617195 /nfs/dbraw/zinc/61/71/95/609617195.db2.gz UGWRNBLCFMCHJN-UHFFFAOYSA-N -1 3 364.833 3.160 20 0 FGADHM COCCC1(C(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)CCCC1 ZINC000826155546 609617196 /nfs/dbraw/zinc/61/71/96/609617196.db2.gz UGWRNBLCFMCHJN-UHFFFAOYSA-N -1 3 364.833 3.160 20 0 FGADHM C[C@@H]1CCC[C@H](OCC(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)C1 ZINC000824926020 609618690 /nfs/dbraw/zinc/61/86/90/609618690.db2.gz IJLAVDGRZYYXPH-RISCZKNCSA-N -1 3 364.833 3.159 20 0 FGADHM C[C@@H]1CCC[C@H](OCC(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC000824926020 609618692 /nfs/dbraw/zinc/61/86/92/609618692.db2.gz IJLAVDGRZYYXPH-RISCZKNCSA-N -1 3 364.833 3.159 20 0 FGADHM COCc1ccccc1C(=O)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826164536 609618869 /nfs/dbraw/zinc/61/88/69/609618869.db2.gz FLWKAASACRHCHZ-UHFFFAOYSA-N -1 3 358.785 3.024 20 0 FGADHM COCc1ccccc1C(=O)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826164536 609618871 /nfs/dbraw/zinc/61/88/71/609618871.db2.gz FLWKAASACRHCHZ-UHFFFAOYSA-N -1 3 358.785 3.024 20 0 FGADHM COc1ccccc1CCCOC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000826219819 609621524 /nfs/dbraw/zinc/62/15/24/609621524.db2.gz RMURHSVQJMRLQG-SEYXRHQNSA-N -1 3 364.405 3.065 20 0 FGADHM COc1ccccc1CCCOC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000826219819 609621526 /nfs/dbraw/zinc/62/15/26/609621526.db2.gz RMURHSVQJMRLQG-SEYXRHQNSA-N -1 3 364.405 3.065 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=S)NC3CC3)cc2)cc1 ZINC000006362237 695556806 /nfs/dbraw/zinc/55/68/06/695556806.db2.gz VDNQHAPSOYNMSU-UHFFFAOYSA-N -1 3 361.492 3.245 20 0 FGADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OC(F)(F)O3)cc1 ZINC000007726524 695575750 /nfs/dbraw/zinc/57/57/50/695575750.db2.gz FRLZCPCHOBOAKD-UHFFFAOYSA-N -1 3 357.334 3.208 20 0 FGADHM C[C@H](Oc1ccc(F)cc1)C(=O)N[N-]C(=O)c1cc(Cl)ccc1Cl ZINC000015384629 695618343 /nfs/dbraw/zinc/61/83/43/695618343.db2.gz SCOAAESMYWANPD-VIFPVBQESA-N -1 3 371.195 3.361 20 0 FGADHM O=C(OCc1cc(=O)n2cc(Cl)ccc2n1)c1cc(Cl)c(Cl)[n-]1 ZINC000021730831 695647759 /nfs/dbraw/zinc/64/77/59/695647759.db2.gz IVAUPKORYXKRTJ-UHFFFAOYSA-N -1 3 372.595 3.340 20 0 FGADHM CC[C@H](C)NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1C ZINC000027338482 695692904 /nfs/dbraw/zinc/69/29/04/695692904.db2.gz DXQFJOROBQISHC-ZDUSSCGKSA-N -1 3 364.442 3.463 20 0 FGADHM O=C(CCOc1cccc(F)c1)N[N-]C(=O)c1ccc(Cl)cc1Cl ZINC000031484453 695736032 /nfs/dbraw/zinc/73/60/32/695736032.db2.gz MYPLYNCBBGYTCN-UHFFFAOYSA-N -1 3 371.195 3.363 20 0 FGADHM Cc1nc(C2([N-]S(=O)(=O)c3cccc(Cl)c3C)CCCCC2)no1 ZINC000032418026 695744593 /nfs/dbraw/zinc/74/45/93/695744593.db2.gz UYXICGFJVVUXIP-UHFFFAOYSA-N -1 3 369.874 3.478 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OC(F)(F)O3)cc1C ZINC000032588983 695746470 /nfs/dbraw/zinc/74/64/70/695746470.db2.gz GZJLWJUYUBXEIJ-UHFFFAOYSA-N -1 3 357.334 3.126 20 0 FGADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(NC(C)=O)c(C)c2)cc1C ZINC000032590781 695746614 /nfs/dbraw/zinc/74/66/14/695746614.db2.gz QMWIVOZGTQJSKP-UHFFFAOYSA-N -1 3 362.451 3.461 20 0 FGADHM O=C(Cc1csc(-c2cccs2)n1)Nc1nnc(C(F)(F)F)[n-]1 ZINC000037171448 695754207 /nfs/dbraw/zinc/75/42/07/695754207.db2.gz VORTWDHZEJUOBD-UHFFFAOYSA-N -1 3 359.358 3.190 20 0 FGADHM O=C(Cc1csc(-c2cccs2)n1)Nc1nc(C(F)(F)F)n[n-]1 ZINC000037171448 695754210 /nfs/dbraw/zinc/75/42/10/695754210.db2.gz VORTWDHZEJUOBD-UHFFFAOYSA-N -1 3 359.358 3.190 20 0 FGADHM CCCCNC(=S)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000044232594 695806185 /nfs/dbraw/zinc/80/61/85/695806185.db2.gz JBLRCNIGXDSCFW-UHFFFAOYSA-N -1 3 369.918 3.371 20 0 FGADHM CC(C)[C@@H](NC(=O)NNC(=O)c1ccccc1[O-])c1ccc(Cl)cc1 ZINC000045408066 695821133 /nfs/dbraw/zinc/82/11/33/695821133.db2.gz NYNVRRGIXDNSJR-MRXNPFEDSA-N -1 3 361.829 3.387 20 0 FGADHM Cc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)cc1F ZINC000046121630 695833257 /nfs/dbraw/zinc/83/32/57/695833257.db2.gz ZDLLHYOMFMYEPF-UHFFFAOYSA-N -1 3 368.405 3.212 20 0 FGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@H](C)C(C)(C)C)ccc1F ZINC000046201810 695835180 /nfs/dbraw/zinc/83/51/80/695835180.db2.gz MZOCXUZKFDMNFZ-GFCCVEGCSA-N -1 3 358.479 3.019 20 0 FGADHM C[C@@H]1C[C@@H]1C[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000049239494 695893155 /nfs/dbraw/zinc/89/31/55/695893155.db2.gz UIXHENUEHXLMQD-HTQZYQBOSA-N -1 3 372.206 3.402 20 0 FGADHM O=C(CCc1nc2ccccc2s1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000070731375 695954925 /nfs/dbraw/zinc/95/49/25/695954925.db2.gz YSBVNYNCQWMNPK-UHFFFAOYSA-N -1 3 350.407 3.048 20 0 FGADHM O=C(CCc1nc2ccccc2s1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000070731375 695954926 /nfs/dbraw/zinc/95/49/26/695954926.db2.gz YSBVNYNCQWMNPK-UHFFFAOYSA-N -1 3 350.407 3.048 20 0 FGADHM COc1ccc(C(=O)N2C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C2)c([O-])c1 ZINC000075547623 700213823 /nfs/dbraw/zinc/21/38/23/700213823.db2.gz DZDXGLWCBRMOBD-AOOOYVTPSA-N -1 3 357.250 3.214 20 0 FGADHM Cc1cc(C(=O)CCC(=O)Nc2cccc(-c3nnn[n-]3)c2)c(C)s1 ZINC000078598575 700283286 /nfs/dbraw/zinc/28/32/86/700283286.db2.gz WLYDZJLABRMJPF-UHFFFAOYSA-N -1 3 355.423 3.147 20 0 FGADHM Cc1cc(C(=O)CCC(=O)Nc2cccc(-c3nn[n-]n3)c2)c(C)s1 ZINC000078598575 700283292 /nfs/dbraw/zinc/28/32/92/700283292.db2.gz WLYDZJLABRMJPF-UHFFFAOYSA-N -1 3 355.423 3.147 20 0 FGADHM CCOC(=O)C(=O)c1csc([N-]c2ncnc3sc(C)c(C)c32)n1 ZINC000080037798 700308756 /nfs/dbraw/zinc/30/87/56/700308756.db2.gz MSDWDQIGDGXYRM-UHFFFAOYSA-N -1 3 362.436 3.254 20 0 FGADHM O=C(NNc1c(Cl)cc(F)cc1Cl)c1cc2c(cc1[O-])OCO2 ZINC000092256114 700433712 /nfs/dbraw/zinc/43/37/12/700433712.db2.gz UUHQPBHRYFENDJ-UHFFFAOYSA-N -1 3 359.140 3.324 20 0 FGADHM O=C(Nc1ccccc1NCC(F)(F)F)c1cc2c(cc1[O-])OCO2 ZINC000094068092 700457632 /nfs/dbraw/zinc/45/76/32/700457632.db2.gz LJPZYYGFTRKQBD-UHFFFAOYSA-N -1 3 354.284 3.347 20 0 FGADHM O=C(N[C@H]1CCSc2c(F)cccc21)c1nnc2ccccc2c1[O-] ZINC000109947954 700537558 /nfs/dbraw/zinc/53/75/58/700537558.db2.gz COFLQTHTPWDOJQ-ZDUSSCGKSA-N -1 3 355.394 3.029 20 0 FGADHM CS(=O)(=O)[N-]c1cc(C(=O)OCc2ccc3c(c2)CCC3)ccc1F ZINC000115732661 700587925 /nfs/dbraw/zinc/58/79/25/700587925.db2.gz DNKFWKFWUIDJMT-UHFFFAOYSA-N -1 3 363.410 3.043 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)[C@@H](O)c1ccc(F)cc1 ZINC000119348143 700626278 /nfs/dbraw/zinc/62/62/78/700626278.db2.gz QECTZNAGPGLAOQ-BJOHPYRUSA-N -1 3 361.797 3.019 20 0 FGADHM Cc1nonc1[N-]C(=O)c1cnn(-c2ccc(C)cc2)c1C(F)(F)F ZINC000119594551 700633663 /nfs/dbraw/zinc/63/36/63/700633663.db2.gz KAHMQMVCQGBEAD-UHFFFAOYSA-N -1 3 351.288 3.143 20 0 FGADHM Cc1cc(F)c(S(=O)(=O)[N-][C@H](C)C[C@@H](O)c2ccccc2)cc1F ZINC000122746278 700695198 /nfs/dbraw/zinc/69/51/98/700695198.db2.gz CQUXJOJDEGZRTF-MLGOLLRUSA-N -1 3 355.406 3.064 20 0 FGADHM O=S(=O)([N-]Cc1cccc2c1OCCCO2)c1cc(F)ccc1Cl ZINC000125461237 700736217 /nfs/dbraw/zinc/73/62/17/700736217.db2.gz AMXDQDOUXYMCDR-UHFFFAOYSA-N -1 3 371.817 3.119 20 0 FGADHM [O-]C(=NO[C@H]1CCCCO1)Nc1cc(F)ccc1OCC(F)(F)F ZINC000154499588 705036262 /nfs/dbraw/zinc/03/62/62/705036262.db2.gz ZLGJDGRAMDBSEG-LBPRGKRZSA-N -1 3 352.284 3.347 20 0 FGADHM O=C([N-]O[C@H]1CCCCO1)Nc1cc(F)ccc1OCC(F)(F)F ZINC000154499588 705036267 /nfs/dbraw/zinc/03/62/67/705036267.db2.gz ZLGJDGRAMDBSEG-LBPRGKRZSA-N -1 3 352.284 3.347 20 0 FGADHM COc1ccc(F)c([N-]C(=O)c2sccc2S(=O)(=O)C(F)F)c1 ZINC000154555413 705038842 /nfs/dbraw/zinc/03/88/42/705038842.db2.gz FLDZHMYRCGNBBC-UHFFFAOYSA-N -1 3 365.354 3.144 20 0 FGADHM O=c1cc(C(F)(F)F)nc(C[S@@](=O)CCOC2CCCCCC2)[n-]1 ZINC000155267870 705070658 /nfs/dbraw/zinc/07/06/58/705070658.db2.gz IPCZICVHSVHJSU-XMMPIXPASA-N -1 3 366.405 3.189 20 0 FGADHM [O-]C(=NO[C@H]1CCCCO1)Nc1cnn(Cc2ccc(Cl)cc2)c1 ZINC000156148108 705103330 /nfs/dbraw/zinc/10/33/30/705103330.db2.gz XRBKVPSEUXAWDL-HNNXBMFYSA-N -1 3 350.806 3.165 20 0 FGADHM O=C([N-]O[C@H]1CCCCO1)Nc1cnn(Cc2ccc(Cl)cc2)c1 ZINC000156148108 705103333 /nfs/dbraw/zinc/10/33/33/705103333.db2.gz XRBKVPSEUXAWDL-HNNXBMFYSA-N -1 3 350.806 3.165 20 0 FGADHM O=S(=O)([N-]CC1([C@@H](O)c2ccccc2)CC1)c1ccc(Cl)cc1F ZINC000159252184 705216707 /nfs/dbraw/zinc/21/67/07/705216707.db2.gz GIAOKYHHQVVLJN-INIZCTEOSA-N -1 3 369.845 3.271 20 0 FGADHM O=S(=O)([N-]C[C@H](O)c1ccc(Cl)cc1)c1ccc(Cl)cc1F ZINC000159328251 705219817 /nfs/dbraw/zinc/21/98/17/705219817.db2.gz RODZIJKTMUZFFT-ZDUSSCGKSA-N -1 3 364.225 3.144 20 0 FGADHM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]c1c(F)c(F)cc(F)c1F ZINC000161016876 705266046 /nfs/dbraw/zinc/26/60/46/705266046.db2.gz UHBHOXBBFBMDCJ-UHFFFAOYSA-N -1 3 368.239 3.091 20 0 FGADHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCC2CCC2)c(C(F)(F)F)c1 ZINC000163441142 705314535 /nfs/dbraw/zinc/31/45/35/705314535.db2.gz IASZHFXTBNVLEZ-UHFFFAOYSA-N -1 3 352.334 3.082 20 0 FGADHM NC(=O)c1oc2ccccc2c1[N-]C(=O)c1csc([C@H]2CCCO2)n1 ZINC000165308825 705338347 /nfs/dbraw/zinc/33/83/47/705338347.db2.gz GTEGKYUKDROBBO-GFCCVEGCSA-N -1 3 357.391 3.092 20 0 FGADHM COC(=O)c1cc(S(=O)(=O)[N-]C2(C)CCC2)c(Cl)cc1Cl ZINC000167429358 705347923 /nfs/dbraw/zinc/34/79/23/705347923.db2.gz CEKLBIXQUIEIFY-UHFFFAOYSA-N -1 3 352.239 3.001 20 0 FGADHM O=S(=O)(/C=C/c1ccc(F)cc1)[N-]c1ccccc1O[C@H]1CCOC1 ZINC000178036761 705651025 /nfs/dbraw/zinc/65/10/25/705651025.db2.gz BOAKJHDPDZYSTB-TYZQSYOASA-N -1 3 363.410 3.406 20 0 FGADHM Cc1cc(NC(=O)NN=c2ccc(Cl)n[n-]2)nn1-c1ccc(C)cc1 ZINC000180076330 705727235 /nfs/dbraw/zinc/72/72/35/705727235.db2.gz IWMRMARJNIDJAA-UHFFFAOYSA-N -1 3 357.805 3.081 20 0 FGADHM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(N3CCOCC3)c(C)c2)c1 ZINC000181185865 705776694 /nfs/dbraw/zinc/77/66/94/705776694.db2.gz VCTXMCNEXRNGHV-UHFFFAOYSA-N -1 3 360.479 3.249 20 0 FGADHM Cc1c([O-])ccc2c(CSc3nnc(C(F)F)n3C)cc(=O)oc12 ZINC000181259371 705781068 /nfs/dbraw/zinc/78/10/68/705781068.db2.gz HRLNWVRGGSJAOW-UHFFFAOYSA-N -1 3 353.350 3.165 20 0 FGADHM Cc1cc(C(=O)NN=c2cccn[n-]2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000181891818 705814424 /nfs/dbraw/zinc/81/44/24/705814424.db2.gz XLFPGKRVQROQQV-UHFFFAOYSA-N -1 3 363.208 3.034 20 0 FGADHM COc1ccc2c(c1)C=C(S(=O)(=O)[N-]c1cccc3n[nH]cc31)CC2 ZINC000184477045 712672341 /nfs/dbraw/zinc/67/23/41/712672341.db2.gz PIGIVRWVRQTMKT-UHFFFAOYSA-N -1 3 355.419 3.301 20 0 FGADHM COc1ccc(Br)c(C(=O)[N-]NC(=O)C[C@H]2CCC[C@H]2C)c1 ZINC000184704593 712675276 /nfs/dbraw/zinc/67/52/76/712675276.db2.gz VPYBJOFEKNGCDH-GHMZBOCLSA-N -1 3 369.259 3.045 20 0 FGADHM O=C(NNc1cccc([N+](=O)[O-])c1)c1cn[n-]c1-c1ccc(Cl)s1 ZINC000187070082 712732322 /nfs/dbraw/zinc/73/23/22/712732322.db2.gz CGJXNGHOLCKPIQ-UHFFFAOYSA-N -1 3 363.786 3.457 20 0 FGADHM O=C(NNc1cccc([N+](=O)[O-])c1)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000187070082 712732325 /nfs/dbraw/zinc/73/23/25/712732325.db2.gz CGJXNGHOLCKPIQ-UHFFFAOYSA-N -1 3 363.786 3.457 20 0 FGADHM COc1ccc(N[C@@H](C)Cc2ccccc2F)cc1[N-]S(C)(=O)=O ZINC000188395446 712768687 /nfs/dbraw/zinc/76/86/87/712768687.db2.gz OEAADNDFQMMSMB-LBPRGKRZSA-N -1 3 352.431 3.249 20 0 FGADHM O=C(NCc1ccccc1)N[N-]C(=O)c1cc(Cl)ccc1OC(F)F ZINC000189104233 712786370 /nfs/dbraw/zinc/78/63/70/712786370.db2.gz KDRZRTNEPHVOHH-UHFFFAOYSA-N -1 3 369.755 3.086 20 0 FGADHM CCOc1c(F)cccc1C(=O)[N-]NC(=O)NCc1ccc(Cl)cc1 ZINC000191610900 712840152 /nfs/dbraw/zinc/84/01/52/712840152.db2.gz VAPUAQIACLQVKB-UHFFFAOYSA-N -1 3 365.792 3.022 20 0 FGADHM CCOC1CCN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)CC1 ZINC000193784582 713499081 /nfs/dbraw/zinc/49/90/81/713499081.db2.gz DVHCIVFFBNANPN-UHFFFAOYSA-N -1 3 359.451 3.246 20 0 FGADHM O=c1nc(CSc2cccc[n+]2[O-])[n-]c2scc(-c3ccco3)c21 ZINC000194842612 713537357 /nfs/dbraw/zinc/53/73/57/713537357.db2.gz 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ZINC000621927174 715037336 /nfs/dbraw/zinc/03/73/36/715037336.db2.gz GYCFLHQCQPWIMK-BDJLRTHQSA-N -1 3 353.340 3.133 20 0 FGADHM O=c1cc(CS(=O)(=O)C[C@@H]2CC[C@@H]3C[C@@H]3C2)nc(-c2ccccc2)[n-]1 ZINC000621995992 715045002 /nfs/dbraw/zinc/04/50/02/715045002.db2.gz LQLNJCFJXWHREB-BMFZPTHFSA-N -1 3 358.463 3.200 20 0 FGADHM Cc1cc(NC(=O)c2cc([O-])cc(C(F)(F)F)c2)cc(OCCO)c1 ZINC000622561833 715080402 /nfs/dbraw/zinc/08/04/02/715080402.db2.gz UOKYFKOZADCFDB-UHFFFAOYSA-N -1 3 355.312 3.343 20 0 FGADHM O=C(Nc1ccc(F)cc1N1CCOCC1)c1cc([O-])ccc1Cl ZINC000622697923 715085974 /nfs/dbraw/zinc/08/59/74/715085974.db2.gz XDOFOZDDKLLTQH-UHFFFAOYSA-N -1 3 350.777 3.274 20 0 FGADHM CCOc1c(Cl)cccc1CC(=O)NC(C)(C)c1nc(C)cc(=O)[n-]1 ZINC000622739694 715087694 /nfs/dbraw/zinc/08/76/94/715087694.db2.gz WLEKPCGECOMOFF-UHFFFAOYSA-N -1 3 363.845 3.137 20 0 FGADHM C[C@@H](OC[C@H]1CCCCO1)C(=O)N=c1cc(-c2cccc(Cl)c2)[n-][nH]1 ZINC000622891264 715103757 /nfs/dbraw/zinc/10/37/57/715103757.db2.gz PONKFBPMWYGDII-IUODEOHRSA-N -1 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CO[C@H](Cc1ccc(F)cc1)CS(=O)(=O)[N-]c1cc(F)ccc1C ZINC000629281407 716249299 /nfs/dbraw/zinc/24/92/99/716249299.db2.gz AWANHQQQIJVFRP-MRXNPFEDSA-N -1 3 355.406 3.273 20 0 FGADHM CCOC1(CS(=O)(=O)[N-]c2cccc(SCC)c2)CCOCC1 ZINC000629288519 716252987 /nfs/dbraw/zinc/25/29/87/716252987.db2.gz CBZSAXUVNOBROR-UHFFFAOYSA-N -1 3 359.513 3.126 20 0 FGADHM CC(C)c1c[n-]c(S(=O)(=O)[C@H](C)C(=O)Nc2ccccc2C(C)C)n1 ZINC000630432724 716450356 /nfs/dbraw/zinc/45/03/56/716450356.db2.gz SPRURFGVHKVFPF-CYBMUJFWSA-N -1 3 363.483 3.457 20 0 FGADHM O=S(=O)([N-][C@H]1CCCN(Cc2ccccc2)C1)c1ccc(C(F)F)o1 ZINC000631734986 716669986 /nfs/dbraw/zinc/66/99/86/716669986.db2.gz NIHRTRZDKCKVHK-AWEZNQCLSA-N -1 3 370.421 3.160 20 0 FGADHM CCCC[C@@H]([N-]S(=O)(=O)c1c[nH]c(=O)s1)c1ccc(OC)cc1 ZINC000631898982 716696270 /nfs/dbraw/zinc/69/62/70/716696270.db2.gz YADISKARUKVJRX-CYBMUJFWSA-N -1 3 356.469 3.067 20 0 FGADHM O=c1cc(-c2noc([C@@H]3[C@@H]4Cc5cc(Br)ccc5[C@@H]43)n2)nc[n-]1 ZINC000632165526 716734057 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ZINC000041801065 494179011 /nfs/dbraw/zinc/17/90/11/494179011.db2.gz MSBXSMYPFGQBAK-HXUWFJFHSA-N -1 3 363.461 3.341 20 0 FGADHM O=C(Nc1cc(Cl)ccc1[O-])[C@@H]1CCN(c2ccc(F)c(F)c2)C1=O ZINC000054141309 494199758 /nfs/dbraw/zinc/19/97/58/494199758.db2.gz ONOSWLXAERWBEZ-NSHDSACASA-N -1 3 366.751 3.315 20 0 FGADHM Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)c1ccc2n[n-]nc2c1 ZINC000065598366 494217394 /nfs/dbraw/zinc/21/73/94/494217394.db2.gz FSPKGJRQVJCSOB-UHFFFAOYSA-N -1 3 363.421 3.191 20 0 FGADHM CCC[C@H](C)N(C)C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000065790333 494238644 /nfs/dbraw/zinc/23/86/44/494238644.db2.gz LCSUOAXFGWSGDV-LBPRGKRZSA-N -1 3 357.476 3.109 20 0 FGADHM CC(C)Oc1ccc([C@H](C)NC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)cc1 ZINC000065799874 494239156 /nfs/dbraw/zinc/23/91/56/494239156.db2.gz IPMYZTVHBMRFLY-LBPRGKRZSA-N -1 3 367.405 3.240 20 0 FGADHM CCO[C@@H](C)c1nc(CN(C)Cc2nc3ccsc3c(=O)[n-]2)cs1 ZINC000072762747 494246685 /nfs/dbraw/zinc/24/66/85/494246685.db2.gz DDIXGACTHKNTFQ-JTQLQIEISA-N -1 3 364.496 3.171 20 0 FGADHM CCOC(=O)c1sc2[n-]c(Cc3nc4ccccc4o3)nc(=O)c2c1C ZINC000054752335 494266427 /nfs/dbraw/zinc/26/64/27/494266427.db2.gz NQEMETJQEFVNLW-UHFFFAOYSA-N -1 3 369.402 3.202 20 0 FGADHM Cc1cccc(S(=O)(=O)[N-]c2ccc(OCCN(C)C)c(Cl)c2)c1 ZINC000072913414 494283271 /nfs/dbraw/zinc/28/32/71/494283271.db2.gz NXLWFWDDGHAIND-UHFFFAOYSA-N -1 3 368.886 3.390 20 0 FGADHM COc1ccc(C(=O)C2CCN(C(=O)c3cccc(C)c3[O-])CC2)cc1 ZINC000078437404 494296613 /nfs/dbraw/zinc/29/66/13/494296613.db2.gz KPDPASXSNHYQEE-UHFFFAOYSA-N -1 3 353.418 3.444 20 0 FGADHM CCc1onc(C)c1[N-]C(=O)c1nnn(-c2ccc(OC(C)C)cc2)c1C ZINC000089397179 494300252 /nfs/dbraw/zinc/30/02/52/494300252.db2.gz CZZAZGCNFAIKEG-UHFFFAOYSA-N -1 3 369.425 3.474 20 0 FGADHM Cc1ccc([O-])c(C(=O)N2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)c1 ZINC000089479462 494316560 /nfs/dbraw/zinc/31/65/60/494316560.db2.gz KIGHOPVCVHKWGZ-ZDUSSCGKSA-N -1 3 366.339 3.408 20 0 FGADHM CC(=O)NCc1ccc(S(=O)(=O)[N-][C@@H]2C[C@@H](C)CC[C@H]2C(C)C)s1 ZINC000055245429 494318454 /nfs/dbraw/zinc/31/84/54/494318454.db2.gz PYEWLYFOKHTCKD-VBNZEHGJSA-N -1 3 372.556 3.123 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC(C(F)(F)F)CC3)nc2)n1 ZINC000078558692 494319987 /nfs/dbraw/zinc/31/99/87/494319987.db2.gz OLJPVOYVGMCXPK-UHFFFAOYSA-N -1 3 352.360 3.173 20 0 FGADHM COc1cc(F)c(S(=O)(=O)[N-][C@H](C)Cc2ccccc2C)cc1OC ZINC000055265811 494320193 /nfs/dbraw/zinc/32/01/93/494320193.db2.gz GHCCBTCQOINSJX-CYBMUJFWSA-N -1 3 367.442 3.061 20 0 FGADHM O=C(N[C@H]1CCOc2c(Cl)cccc21)c1c[n-]c2ccccc2c1=O ZINC000055458942 494347322 /nfs/dbraw/zinc/34/73/22/494347322.db2.gz DWBIZDBMQJNHIO-INIZCTEOSA-N -1 3 354.793 3.435 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H]2CCOc3c(Cl)cccc32)c1 ZINC000055460448 494348192 /nfs/dbraw/zinc/34/81/92/494348192.db2.gz IPDKQLNQCACTFR-HNNXBMFYSA-N -1 3 360.797 3.258 20 0 FGADHM Cc1ccc2ncc(C(=O)[O-])c(NC[C@@H](c3cccs3)N(C)C)c2c1 ZINC000577377515 505716631 /nfs/dbraw/zinc/71/66/31/505716631.db2.gz MOLLUSSPRUOXFP-INIZCTEOSA-N -1 3 355.463 3.440 20 0 FGADHM CC[C@H](C)C(=O)Nc1cccc(CNC(=O)c2cccc(OC)c2[O-])c1 ZINC000079191423 494416922 /nfs/dbraw/zinc/41/69/22/494416922.db2.gz PUJLTIQIUYLXOL-ZDUSSCGKSA-N -1 3 356.422 3.315 20 0 FGADHM Cc1ccc([C@H](C)N(C)C(=O)CCn2[n-]c(=O)c3ccccc3c2=O)cc1 ZINC000045417997 494427644 /nfs/dbraw/zinc/42/76/44/494427644.db2.gz BSFQSLXQJQNZGC-HNNXBMFYSA-N -1 3 365.433 3.020 20 0 FGADHM O=c1nc(CN2CCOC[C@H]2C2CC2)[n-]c2scc(-c3ccccc3)c21 ZINC000090007430 494427730 /nfs/dbraw/zinc/42/77/30/494427730.db2.gz FFLQCZCDCHSSRY-INIZCTEOSA-N -1 3 367.474 3.262 20 0 FGADHM CCc1ccc([O-])c(C(=O)N2CCC(NC(=O)CC3CCCC3)CC2)c1 ZINC000066928517 494439995 /nfs/dbraw/zinc/43/99/95/494439995.db2.gz GREJSJHDIHCRJM-UHFFFAOYSA-N -1 3 358.482 3.256 20 0 FGADHM CC(C)c1cc(C(=O)Nc2cccc(-c3nnn[n-]3)c2)nn1C(C)(C)C ZINC000079390168 494444998 /nfs/dbraw/zinc/44/49/98/494444998.db2.gz AVQYHXDBIVBSTI-UHFFFAOYSA-N -1 3 353.430 3.194 20 0 FGADHM CC(C)c1cc(C(=O)Nc2cccc(-c3nn[n-]n3)c2)nn1C(C)(C)C ZINC000079390168 494445004 /nfs/dbraw/zinc/44/50/04/494445004.db2.gz AVQYHXDBIVBSTI-UHFFFAOYSA-N -1 3 353.430 3.194 20 0 FGADHM Cc1noc(C)c1S(=O)(=O)[N-]Cc1ccc(OCc2ccccc2)cc1 ZINC000056067638 494449140 /nfs/dbraw/zinc/44/91/40/494449140.db2.gz MDJZGDPYWGSBKJ-UHFFFAOYSA-N -1 3 372.446 3.349 20 0 FGADHM COc1ccc(F)cc1[C@H](C)[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000056098759 494454243 /nfs/dbraw/zinc/45/42/43/494454243.db2.gz WCRMRZLQYJQZBJ-QMMMGPOBSA-N -1 3 363.332 3.291 20 0 FGADHM CN(C)[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1Cl)c1ccsc1 ZINC000045809607 494465261 /nfs/dbraw/zinc/46/52/61/494465261.db2.gz GEKTYNPKASIVER-CYBMUJFWSA-N -1 3 362.879 3.122 20 0 FGADHM CCCS(=O)(=O)[N-]c1ccc(C(=O)N(CC)c2nc(C)cs2)cc1 ZINC000074063199 494475325 /nfs/dbraw/zinc/47/53/25/494475325.db2.gz WLDIGVAPTYQGLQ-UHFFFAOYSA-N -1 3 367.496 3.270 20 0 FGADHM O=C(N[C@H]1CCOc2c(Cl)cccc21)c1cc(=O)c2ccccc2[n-]1 ZINC000056251691 494476935 /nfs/dbraw/zinc/47/69/35/494476935.db2.gz SJNVFCYKIQFBFO-HNNXBMFYSA-N -1 3 354.793 3.435 20 0 FGADHM Cc1cc(NC(=O)[C@H](C)SCC(=O)Nc2cc(Cl)ccc2[O-])no1 ZINC000067145579 494484122 /nfs/dbraw/zinc/48/41/22/494484122.db2.gz NNIYHYGMCALBRK-VIFPVBQESA-N -1 3 369.830 3.041 20 0 FGADHM Cc1ccc(C(=O)N2CCC(NC(=O)c3ccc(C)cc3[O-])CC2)cc1 ZINC000067174690 494489195 /nfs/dbraw/zinc/48/91/95/494489195.db2.gz LZBRVDIMCMGRBE-UHFFFAOYSA-N -1 3 352.434 3.044 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)COC3CCCCC3)c2)n1 ZINC000046067353 494492630 /nfs/dbraw/zinc/49/26/30/494492630.db2.gz QBQMSTLIKREZFB-UHFFFAOYSA-N -1 3 355.438 3.287 20 0 FGADHM CC(=O)c1cccc(NC(=O)c2ccc(CSc3nc[nH]n3)cc2)c1[O-] ZINC000574226301 505724467 /nfs/dbraw/zinc/72/44/67/505724467.db2.gz YMWHUMOWTKUJTO-UHFFFAOYSA-N -1 3 368.418 3.258 20 0 FGADHM Cc1ccc([O-])c(C(=O)Nc2nc(CN3C[C@@H](C)O[C@@H](C)C3)cs2)c1 ZINC000022297983 494519473 /nfs/dbraw/zinc/51/94/73/494519473.db2.gz ZASKKPSHNDHEBZ-BETUJISGSA-N -1 3 361.467 3.019 20 0 FGADHM CCCc1nc(=NC(=O)N(Cc2ccccc2)C2CCN(C)CC2)s[n-]1 ZINC000571411851 505727617 /nfs/dbraw/zinc/72/76/17/505727617.db2.gz RSOVMYUQQXSZKO-UHFFFAOYSA-N -1 3 373.526 3.041 20 0 FGADHM CCOC(=O)c1sc2[n-]c(Cc3cccc(OC)c3)nc(=O)c2c1C ZINC000046727840 494557706 /nfs/dbraw/zinc/55/77/06/494557706.db2.gz LGCCIOKSLVPXEK-UHFFFAOYSA-N -1 3 358.419 3.069 20 0 FGADHM CCCc1csc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])n1 ZINC000092261656 494579227 /nfs/dbraw/zinc/57/92/27/494579227.db2.gz KZVMXIIYQPLFPR-CQSZACIVSA-N -1 3 359.451 3.045 20 0 FGADHM CCCn1c(=O)[n-]nc1S[C@@H](C)C(=O)N1c2ccccc2CC[C@H]1C ZINC000023763954 494581406 /nfs/dbraw/zinc/58/14/06/494581406.db2.gz DQSOWXACPNRJSU-OLZOCXBDSA-N -1 3 360.483 3.242 20 0 FGADHM CCCn1c(=O)[n-]nc1S[C@H](C)C(=O)Nc1cccc(SC)c1 ZINC000023762077 494582125 /nfs/dbraw/zinc/58/21/25/494582125.db2.gz GBWFXBGDOOBBEU-SNVBAGLBSA-N -1 3 352.485 3.235 20 0 FGADHM Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1Cc1cc(=O)c([O-])co1 ZINC000125948910 494585747 /nfs/dbraw/zinc/58/57/47/494585747.db2.gz HXXOIENXTRRZAV-AWEZNQCLSA-N -1 3 365.861 3.497 20 0 FGADHM CC[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1 ZINC000092297719 494588554 /nfs/dbraw/zinc/58/85/54/494588554.db2.gz VWROAJMGTRPPSF-OLZOCXBDSA-N -1 3 374.572 3.166 20 0 FGADHM Cc1nc([C@@H]([N-]S(=O)(=O)CCC(C)(C)C)c2ccc(Cl)cc2)no1 ZINC000092335766 494598671 /nfs/dbraw/zinc/59/86/71/494598671.db2.gz OMRASHBYLJDGAN-AWEZNQCLSA-N -1 3 371.890 3.476 20 0 FGADHM O=C([N-]c1n[nH]c(-c2ccccc2F)n1)c1csc([C@@H]2CCCO2)n1 ZINC000131450740 494623005 /nfs/dbraw/zinc/62/30/05/494623005.db2.gz OJYKGOJAOMQXDN-LBPRGKRZSA-N -1 3 359.386 3.171 20 0 FGADHM O=c1[n-]c(CN2CCO[C@H](c3ccsc3)C2)nc2c3ccccc3oc21 ZINC000126112890 494639783 /nfs/dbraw/zinc/63/97/83/494639783.db2.gz ZTTXVVDMJQFJPM-HNNXBMFYSA-N -1 3 367.430 3.304 20 0 FGADHM COc1ccc(C[S@](=O)c2ccc([O-])cc2)c(Br)c1OC ZINC000108085871 494645621 /nfs/dbraw/zinc/64/56/21/494645621.db2.gz SEEOGWDCMVFQHN-OAQYLSRUSA-N -1 3 371.252 3.480 20 0 FGADHM Cc1cc(C)[n-]c(=NNC(=O)c2cnn(-c3ccc(F)cc3)c2C(C)C)n1 ZINC000024743701 494660068 /nfs/dbraw/zinc/66/00/68/494660068.db2.gz LUJJTPGGULERHT-UHFFFAOYSA-N -1 3 368.416 3.299 20 0 FGADHM CCC[C@@H](C)CS(=O)(=O)[N-][C@H](C)c1noc(Cc2ccccc2)n1 ZINC000080280992 494664316 /nfs/dbraw/zinc/66/43/16/494664316.db2.gz ANBWLDWNWLUWGE-ZIAGYGMSSA-N -1 3 351.472 3.077 20 0 FGADHM Cc1cnc(C(C)(C)[N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)s1 ZINC000080282269 494665288 /nfs/dbraw/zinc/66/52/88/494665288.db2.gz DOFLJHGXJJFFAM-UHFFFAOYSA-N -1 3 350.387 3.082 20 0 FGADHM Cc1cccc(C(=O)Nc2ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)c1[O-] ZINC000126199290 494669859 /nfs/dbraw/zinc/66/98/59/494669859.db2.gz UOZUDSMKUZXPIZ-GASCZTMLSA-N -1 3 368.433 3.202 20 0 FGADHM Cc1ccccc1[C@H](C)CC(=O)Nc1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000115997780 494675625 /nfs/dbraw/zinc/67/56/25/494675625.db2.gz VDRNCMFBIHYVMM-SPLOXXLWSA-N -1 3 365.433 3.182 20 0 FGADHM CCC[C@H](C(=O)Nc1cccc([C@]2(C)NC(=O)[N-]C2=O)c1)c1ccccc1 ZINC000047299044 494676223 /nfs/dbraw/zinc/67/62/23/494676223.db2.gz JAGDWSMIZLFALO-UWJYYQICSA-N -1 3 365.433 3.264 20 0 FGADHM Cc1ccc([O-])c(CN2CCO[C@@H](c3cccc(Br)c3)C2)n1 ZINC000092591921 494680751 /nfs/dbraw/zinc/68/07/51/494680751.db2.gz ZTEBINCVHZPMBX-QGZVFWFLSA-N -1 3 363.255 3.432 20 0 FGADHM COc1cc(F)c(CN[C@H](CCCc2ccccc2)C(=O)[O-])cc1OC ZINC000571449162 505736064 /nfs/dbraw/zinc/73/60/64/505736064.db2.gz BQEZUJSXTKWUGJ-QGZVFWFLSA-N -1 3 361.413 3.409 20 0 FGADHM COC(=O)C1(c2ccccc2)CCN(C(=O)c2cc(C)ccc2[O-])CC1 ZINC000025054395 494694119 /nfs/dbraw/zinc/69/41/19/494694119.db2.gz MKHXSVDTUCGBIT-UHFFFAOYSA-N -1 3 353.418 3.048 20 0 FGADHM COC(=O)CCCc1nnc([N-]C(=O)c2cccc(F)c2Cl)s1 ZINC000080421892 494698730 /nfs/dbraw/zinc/69/87/30/494698730.db2.gz FNGBZVMYMDYPDM-UHFFFAOYSA-N -1 3 357.794 3.079 20 0 FGADHM CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)CCn1[n-]c(=O)c2ccccc2c1=O ZINC000025091985 494699350 /nfs/dbraw/zinc/69/93/50/494699350.db2.gz AHJYCKUNKURUQG-SJORKVTESA-N -1 3 371.481 3.213 20 0 FGADHM CC(C)COc1cccc(NC(=O)c2ccc([N-]S(C)(=O)=O)cc2)c1 ZINC000057285315 494704528 /nfs/dbraw/zinc/70/45/28/494704528.db2.gz BFPCSTKLXFVQNJ-UHFFFAOYSA-N -1 3 362.451 3.345 20 0 FGADHM CC[C@@H](C)Oc1cccc(NC(=O)c2ccc([N-]S(C)(=O)=O)cc2)c1 ZINC000057300089 494709493 /nfs/dbraw/zinc/70/94/93/494709493.db2.gz ZVCPLQUQGOKZAH-CYBMUJFWSA-N -1 3 362.451 3.488 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)NC[C@@H](C)Oc2ccc(Cl)cc2)c1 ZINC000075229712 494712665 /nfs/dbraw/zinc/71/26/65/494712665.db2.gz SLPWHUHNOZLWPO-LLVKDONJSA-N -1 3 362.813 3.201 20 0 FGADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@H]1C=CCCC1 ZINC000126350748 494719244 /nfs/dbraw/zinc/71/92/44/494719244.db2.gz UXTJNHWHDKQDDV-NSHDSACASA-N -1 3 351.449 3.075 20 0 FGADHM O=C1NCCc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3Cl)cc21 ZINC000116158331 494720066 /nfs/dbraw/zinc/72/00/66/494720066.db2.gz GJKPXGNVKOMOFB-UHFFFAOYSA-N -1 3 371.245 3.080 20 0 FGADHM O=C(c1ccccc1[O-])N1CCN(Cc2cccc(-c3ccncc3)c2)CC1 ZINC000091924191 494722859 /nfs/dbraw/zinc/72/28/59/494722859.db2.gz XSABIIIVYSOSDI-UHFFFAOYSA-N -1 3 373.456 3.412 20 0 FGADHM CC(C)(C)c1ncc(CN2CCN(C(=O)c3ccccc3[O-])CC2)s1 ZINC000091924486 494723711 /nfs/dbraw/zinc/72/37/11/494723711.db2.gz FPDLJFKLOMYJJK-UHFFFAOYSA-N -1 3 359.495 3.104 20 0 FGADHM O=C(Nc1ccccc1CN1CCSCC1)c1cc(-c2ccco2)[n-]n1 ZINC000116191256 494726683 /nfs/dbraw/zinc/72/66/83/494726683.db2.gz SAFXXMKXMRWCTD-UHFFFAOYSA-N -1 3 368.462 3.471 20 0 FGADHM O=C(Nc1ccccc1CN1CCSCC1)c1cc(-c2ccco2)n[n-]1 ZINC000116191256 494726692 /nfs/dbraw/zinc/72/66/92/494726692.db2.gz SAFXXMKXMRWCTD-UHFFFAOYSA-N -1 3 368.462 3.471 20 0 FGADHM Cc1c2cc(Cl)ccc2oc1C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000047552757 494733919 /nfs/dbraw/zinc/73/39/19/494733919.db2.gz VRDNASKABOBUSU-UHFFFAOYSA-N -1 3 372.808 3.260 20 0 FGADHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccn(C4CCCC4)n3)c2)n1 ZINC000131804914 494736984 /nfs/dbraw/zinc/73/69/84/494736984.db2.gz QUKMYSOPUQIKCF-UHFFFAOYSA-N -1 3 363.421 3.309 20 0 FGADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1csc(-c2ccccc2F)n1 ZINC000068062775 494747137 /nfs/dbraw/zinc/74/71/37/494747137.db2.gz YKNJXZWYCGSDDO-UHFFFAOYSA-N -1 3 357.292 3.338 20 0 FGADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1csc(-c2ccccc2F)n1 ZINC000068062775 494747145 /nfs/dbraw/zinc/74/71/45/494747145.db2.gz YKNJXZWYCGSDDO-UHFFFAOYSA-N -1 3 357.292 3.338 20 0 FGADHM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1csc(-c2ccccc2F)n1 ZINC000068062775 494747150 /nfs/dbraw/zinc/74/71/50/494747150.db2.gz YKNJXZWYCGSDDO-UHFFFAOYSA-N -1 3 357.292 3.338 20 0 FGADHM O=C(Nc1ccc(N2CCCC2)cn1)c1c[n-]nc1-c1ccc(F)cc1 ZINC000025665747 494767090 /nfs/dbraw/zinc/76/70/90/494767090.db2.gz NHWPIOHYEYWGAX-UHFFFAOYSA-N -1 3 351.385 3.463 20 0 FGADHM CCc1ccc([C@@H](C[N-]S(=O)(=O)c2c(F)cccc2F)N(C)C)cc1 ZINC000025657065 494767174 /nfs/dbraw/zinc/76/71/74/494767174.db2.gz RZQOTAPZJNKYGF-QGZVFWFLSA-N -1 3 368.449 3.108 20 0 FGADHM C[C@H](c1ccccc1)N1CCC([N-]S(=O)(=O)c2ccccc2F)CC1 ZINC000116358441 494768066 /nfs/dbraw/zinc/76/80/66/494768066.db2.gz RYUUTGWJCQPPRP-OAHLLOKOSA-N -1 3 362.470 3.330 20 0 FGADHM O=C(CCOc1ccc2ccccc2c1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000108710272 494768119 /nfs/dbraw/zinc/76/81/19/494768119.db2.gz PMQXLGGBXYYRMC-UHFFFAOYSA-N -1 3 359.389 3.428 20 0 FGADHM O=C(CCOc1ccc2ccccc2c1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000108710272 494768124 /nfs/dbraw/zinc/76/81/24/494768124.db2.gz PMQXLGGBXYYRMC-UHFFFAOYSA-N -1 3 359.389 3.428 20 0 FGADHM COc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCc3c2cccc3OC)c1 ZINC000131903632 494768918 /nfs/dbraw/zinc/76/89/18/494768918.db2.gz RCUAENPESAAKRB-HNNXBMFYSA-N -1 3 367.854 3.323 20 0 FGADHM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(F)c(OC)cc2F)cc1 ZINC000126510826 494774724 /nfs/dbraw/zinc/77/47/24/494774724.db2.gz CZXQALXDWVIEEX-UHFFFAOYSA-N -1 3 370.377 3.123 20 0 FGADHM C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)C1 ZINC000075503169 494778814 /nfs/dbraw/zinc/77/88/14/494778814.db2.gz HVKRPVLAHRPHHA-APPDUMDISA-N -1 3 367.380 3.324 20 0 FGADHM CC[C@H](CC(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccc(OC)cc1 ZINC000121499993 494782515 /nfs/dbraw/zinc/78/25/15/494782515.db2.gz NZSCIVVSEBRGLI-CYBMUJFWSA-N -1 3 351.410 3.398 20 0 FGADHM CC[C@H](CC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccc(OC)cc1 ZINC000121499993 494782522 /nfs/dbraw/zinc/78/25/22/494782522.db2.gz NZSCIVVSEBRGLI-CYBMUJFWSA-N -1 3 351.410 3.398 20 0 FGADHM CC(C)(O)[C@@H]1CCCN1C(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000092929799 494790156 /nfs/dbraw/zinc/79/01/56/494790156.db2.gz WVQUJXWTNMTJHC-IBGZPJMESA-N -1 3 355.434 3.347 20 0 FGADHM O=C(NCc1ccccc1)c1cccc(NC(=O)c2c([O-])cccc2O)c1 ZINC000092126768 494798006 /nfs/dbraw/zinc/79/80/06/494798006.db2.gz SHERSUSQIASJCD-UHFFFAOYSA-N -1 3 362.385 3.280 20 0 FGADHM C[C@H](NC(=O)c1c([O-])cccc1O)c1noc(-c2ccc(Cl)cc2)n1 ZINC000092124184 494798116 /nfs/dbraw/zinc/79/81/16/494798116.db2.gz ZAYXSJMJNQYVDR-VIFPVBQESA-N -1 3 359.769 3.292 20 0 FGADHM C[C@@H](NC(=O)NCc1ccc([O-])c(F)c1)c1ccccc1-n1cccn1 ZINC000126635603 494806570 /nfs/dbraw/zinc/80/65/70/494806570.db2.gz YZLRXVKOPGXXQR-CYBMUJFWSA-N -1 3 354.385 3.277 20 0 FGADHM CC(=O)NCc1ccc(-c2csc([N-]C(=O)c3cc(C)no3)n2)s1 ZINC000026384692 494824397 /nfs/dbraw/zinc/82/43/97/494824397.db2.gz WCGQUTBCOKYWDX-UHFFFAOYSA-N -1 3 362.436 3.056 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N2CCC[C@H]2c2ccccc2)c([O-])c1 ZINC000116652133 494831694 /nfs/dbraw/zinc/83/16/94/494831694.db2.gz PDEMYBBKLHVNBU-SFHVURJKSA-N -1 3 352.434 3.184 20 0 FGADHM Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000109163388 494839611 /nfs/dbraw/zinc/83/96/11/494839611.db2.gz ZFDLDBMYAGQZNQ-SNVBAGLBSA-N -1 3 358.872 3.015 20 0 FGADHM Cn1ncc2c1CCC[C@H]2[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000026850433 494841306 /nfs/dbraw/zinc/84/13/06/494841306.db2.gz QRUGTBHTPOQIHD-GFCCVEGCSA-N -1 3 360.266 3.083 20 0 FGADHM Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2cccc(C)c2[O-])cc1 ZINC000109216494 494848175 /nfs/dbraw/zinc/84/81/75/494848175.db2.gz WYCUWVDZYDIFKV-INIZCTEOSA-N -1 3 356.447 3.163 20 0 FGADHM O=C(NC1CC1)c1ccc(CN(C(=O)c2ccccc2[O-])C2CC2)cc1 ZINC000121734631 494848239 /nfs/dbraw/zinc/84/82/39/494848239.db2.gz HRKNKFQGQGNHSV-UHFFFAOYSA-N -1 3 350.418 3.089 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)Cc3c(F)cccc3F)c2)n1 ZINC000121734369 494848506 /nfs/dbraw/zinc/84/85/06/494848506.db2.gz IJSZPMDZNYTWRK-UHFFFAOYSA-N -1 3 369.371 3.459 20 0 FGADHM Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2cc(C)ccc2[O-])cc1 ZINC000109216627 494848922 /nfs/dbraw/zinc/84/89/22/494848922.db2.gz OWJRPALSTPYWKX-MRXNPFEDSA-N -1 3 356.447 3.163 20 0 FGADHM COc1ccc(C(=O)N2CCC[C@H](C(=O)c3ccc(F)cc3)C2)c([O-])c1 ZINC000132387057 494866544 /nfs/dbraw/zinc/86/65/44/494866544.db2.gz FRVMQBAAXFRQLH-AWEZNQCLSA-N -1 3 357.381 3.275 20 0 FGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)COc1cccc(Cl)c1C ZINC000093314510 494867216 /nfs/dbraw/zinc/86/72/16/494867216.db2.gz QWTNQWFIVOIPCN-UHFFFAOYSA-N -1 3 366.801 3.393 20 0 FGADHM O=S(=O)([N-]C1CC1)c1cc(-c2nc(C3CCCCC3)no2)ccc1F ZINC000109529262 494885948 /nfs/dbraw/zinc/88/59/48/494885948.db2.gz IHGBPCCQDILRPY-UHFFFAOYSA-N -1 3 365.430 3.364 20 0 FGADHM C[C@@H](CNC(=O)[C@H](C)Sc1n[n-]c(-c2ccccn2)n1)c1ccccc1 ZINC000117114111 494891883 /nfs/dbraw/zinc/89/18/83/494891883.db2.gz HXJQONFQLWBEIA-KBPBESRZSA-N -1 3 367.478 3.267 20 0 FGADHM O=C(CSc1n[n-]c(-c2ccccn2)n1)NC1(c2ccccc2)CCC1 ZINC000117115003 494893116 /nfs/dbraw/zinc/89/31/16/494893116.db2.gz VENRNDNHAKJIHZ-UHFFFAOYSA-N -1 3 365.462 3.154 20 0 FGADHM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-]C[C@H](C)c1cccc(C)c1 ZINC000132584268 494895661 /nfs/dbraw/zinc/89/56/61/494895661.db2.gz QUJUKEKYTMSFEQ-ZDUSSCGKSA-N -1 3 365.426 3.003 20 0 FGADHM COc1ccc(C(=O)CCC(=O)Nc2n[n-]c(-c3ccccc3F)n2)cc1 ZINC000109624716 494897958 /nfs/dbraw/zinc/89/79/58/494897958.db2.gz NDHXUDDAIODMNV-UHFFFAOYSA-N -1 3 368.368 3.221 20 0 FGADHM CCc1c(C(=O)NCc2ccc([O-])c(F)c2)nnn1-c1cccc(Cl)c1 ZINC000132654958 494905298 /nfs/dbraw/zinc/90/52/98/494905298.db2.gz AEYSMWVLCVDMJV-UHFFFAOYSA-N -1 3 374.803 3.258 20 0 FGADHM CCc1ccc([O-])c(C(=O)NCc2cccc(CN3CCO[C@@H](C)C3)c2)c1 ZINC000109827803 494922482 /nfs/dbraw/zinc/92/24/82/494922482.db2.gz LICMAANSIAYQHD-INIZCTEOSA-N -1 3 368.477 3.105 20 0 FGADHM CCc1cccc(C(=O)N(C)[C@@H](C)c2ccc(-n3cncn3)cc2)c1[O-] ZINC000093905965 494933485 /nfs/dbraw/zinc/93/34/85/494933485.db2.gz SPVNDHACYZJBJN-AWEZNQCLSA-N -1 3 350.422 3.369 20 0 FGADHM CCc1cccc(C(=O)N[C@@H](c2nccn2C)c2ccc(OC)cc2)c1[O-] ZINC000093910619 494934078 /nfs/dbraw/zinc/93/40/78/494934078.db2.gz BBSORRUUQRLOOW-GOSISDBHSA-N -1 3 365.433 3.216 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)c1cccc(I)c1 ZINC000132867143 494935768 /nfs/dbraw/zinc/93/57/68/494935768.db2.gz CSTHSFNEAVOKPN-UHFFFAOYSA-N -1 3 371.149 3.066 20 0 FGADHM CC(=O)Nc1ccc(F)c(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)c1 ZINC000093923160 494935811 /nfs/dbraw/zinc/93/58/11/494935811.db2.gz CQKTZHHTXODTGO-UHFFFAOYSA-N -1 3 358.369 3.456 20 0 FGADHM COc1cc(C)cc(C(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)c1O ZINC000094056583 494943358 /nfs/dbraw/zinc/94/33/58/494943358.db2.gz OGUMYAKGTXVKME-UHFFFAOYSA-N -1 3 365.389 3.020 20 0 FGADHM O=C([N-]c1nncn1Cc1ccccc1)c1sccc1OC(F)F ZINC000117735718 494950644 /nfs/dbraw/zinc/95/06/44/494950644.db2.gz WXNBULOAXUUNBX-UHFFFAOYSA-N -1 3 350.350 3.242 20 0 FGADHM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(-n4ccnc4)c(F)c3)ccc2O1 ZINC000110122301 494951507 /nfs/dbraw/zinc/95/15/07/494951507.db2.gz LRPYBUXPMSBAMV-LBPRGKRZSA-N -1 3 373.409 3.136 20 0 FGADHM O=C(CSc1nncn1-c1cccc(Cl)c1)Nc1ccccc1[O-] ZINC000127488950 494951702 /nfs/dbraw/zinc/95/17/02/494951702.db2.gz PPRMXYNPZKPOGZ-UHFFFAOYSA-N -1 3 360.826 3.357 20 0 FGADHM CN(C)S(=O)(=O)c1ccsc1C(=O)[N-]c1cc(Cl)ccc1F ZINC000110173928 494955132 /nfs/dbraw/zinc/95/51/32/494955132.db2.gz GTCHXFHVMKHMPS-UHFFFAOYSA-N -1 3 362.835 3.043 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CC[C@H]3CCCCO3)c2)n1 ZINC000110224658 494958978 /nfs/dbraw/zinc/95/89/78/494958978.db2.gz ZQFUROHKALXEGR-QGZVFWFLSA-N -1 3 355.438 3.287 20 0 FGADHM CCn1c2ccccc2nc1[C@H](C)NC(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000122352447 494962347 /nfs/dbraw/zinc/96/23/47/494962347.db2.gz DUSVZSQBBUFHEE-LBPRGKRZSA-N -1 3 366.421 3.211 20 0 FGADHM CCn1c2ccccc2nc1SCC(=O)NCc1ccc([O-])c(F)c1 ZINC000133064881 494963166 /nfs/dbraw/zinc/96/31/66/494963166.db2.gz OARMSSHOIKCAOE-UHFFFAOYSA-N -1 3 359.426 3.309 20 0 FGADHM COC(=O)CCN(Cc1ccc(F)c(F)c1)C(=O)c1cc(C)ccc1[O-] ZINC000110347430 494971201 /nfs/dbraw/zinc/97/12/01/494971201.db2.gz XQMKSUMWOIJDAD-UHFFFAOYSA-N -1 3 363.360 3.184 20 0 FGADHM CSc1nccn1-c1ccc(C(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000133118318 494972128 /nfs/dbraw/zinc/97/21/28/494972128.db2.gz ICTCHHMQAZDXLA-UHFFFAOYSA-N -1 3 357.410 3.369 20 0 FGADHM Cc1[nH]c2ccc(Cl)cc2c1C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000127981274 495026245 /nfs/dbraw/zinc/02/62/45/495026245.db2.gz AVUDWFWYAICARX-UHFFFAOYSA-N -1 3 366.812 3.240 20 0 FGADHM Cc1[nH]c2ccc(Cl)cc2c1C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000127981274 495026247 /nfs/dbraw/zinc/02/62/47/495026247.db2.gz AVUDWFWYAICARX-UHFFFAOYSA-N -1 3 366.812 3.240 20 0 FGADHM O=C(Cc1csc(NC(=O)c2cccc([O-])c2)n1)Nc1cccc(F)c1 ZINC000118765100 495033528 /nfs/dbraw/zinc/03/35/28/495033528.db2.gz KBFKMEQRSNKKKE-UHFFFAOYSA-N -1 3 371.393 3.421 20 0 FGADHM CCN(CC)[C@@H](C[N-]S(=O)(=O)c1cc(F)ccc1Cl)c1ccco1 ZINC000097549615 495037686 /nfs/dbraw/zinc/03/76/86/495037686.db2.gz HIMBJEJMLNPPSL-AWEZNQCLSA-N -1 3 374.865 3.434 20 0 FGADHM CC(C)[C@H](NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)c1ccc(F)cc1F ZINC000133686185 495045903 /nfs/dbraw/zinc/04/59/03/495045903.db2.gz BHUCHRLGPYWADK-INIZCTEOSA-N -1 3 373.359 3.367 20 0 FGADHM O=C(c1ccc([O-])cc1F)N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000133764283 495059188 /nfs/dbraw/zinc/05/91/88/495059188.db2.gz QFRHSSDZUXVQKB-CQSZACIVSA-N -1 3 366.396 3.336 20 0 FGADHM COc1ccc([C@H](C)[N-]S(=O)(=O)c2cccc(F)c2F)c(OC)c1 ZINC000101571768 495079487 /nfs/dbraw/zinc/07/94/87/495079487.db2.gz YXPGJEXPYYWFOP-JTQLQIEISA-N -1 3 357.378 3.022 20 0 FGADHM O=S(=O)([N-]CCc1coc(-c2ccc(F)cc2)n1)c1ccccc1F ZINC000101582126 495081904 /nfs/dbraw/zinc/08/19/04/495081904.db2.gz PVHOUPXOVLUSEI-UHFFFAOYSA-N -1 3 364.373 3.141 20 0 FGADHM COc1cccc([C@H]2C[C@@H](C)CN2C(=O)c2c[n-]c3ccncc3c2=O)c1 ZINC000574380113 505760010 /nfs/dbraw/zinc/76/00/10/505760010.db2.gz NCTBTAYROVTMGC-BFUOFWGJSA-N -1 3 363.417 3.155 20 0 FGADHM COC(=O)c1sc([N-]C(=O)c2occc2Br)nc1C1CC1 ZINC000119086887 495089502 /nfs/dbraw/zinc/08/95/02/495089502.db2.gz GTFFSWABYDNRJL-UHFFFAOYSA-N -1 3 371.212 3.415 20 0 FGADHM Cc1ccc(C(=O)N2CCCN(C(=O)Oc3ccccc3)CC2)c([O-])c1 ZINC000101683004 495091079 /nfs/dbraw/zinc/09/10/79/495091079.db2.gz MPTZUYFSRPDKQZ-UHFFFAOYSA-N -1 3 354.406 3.048 20 0 FGADHM O=C(Nc1ccc(NC2CCOCC2)cc1)c1c[n-]c2ccccc2c1=O ZINC000101682202 495091140 /nfs/dbraw/zinc/09/11/40/495091140.db2.gz GRBMZMAQXLQXCR-UHFFFAOYSA-N -1 3 363.417 3.371 20 0 FGADHM O=C(Nc1ccc(NC2CCOCC2)cc1)c1cnc2ccccc2c1[O-] ZINC000101682202 495091143 /nfs/dbraw/zinc/09/11/43/495091143.db2.gz GRBMZMAQXLQXCR-UHFFFAOYSA-N -1 3 363.417 3.371 20 0 FGADHM CCc1cccc2c(CCNC(=O)c3cc(NC(C)=O)ccc3[O-])c[nH]c21 ZINC000111646678 495091525 /nfs/dbraw/zinc/09/15/25/495091525.db2.gz NVSKECAXUYKDNE-UHFFFAOYSA-N -1 3 365.433 3.367 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCCCC[C@@H]2[C@H]2CCCCC2=O)c1 ZINC000123172220 495091837 /nfs/dbraw/zinc/09/18/37/495091837.db2.gz FMLGAAIFULPTMO-SJLPKXTDSA-N -1 3 372.465 3.495 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)Cc3[nH]nc4ccccc43)c2)n1 ZINC000128410882 495092493 /nfs/dbraw/zinc/09/24/93/495092493.db2.gz SDFLSEOKMWTAED-UHFFFAOYSA-N -1 3 373.416 3.057 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)Cc3n[nH]c4ccccc34)c2)n1 ZINC000128410882 495092498 /nfs/dbraw/zinc/09/24/98/495092498.db2.gz SDFLSEOKMWTAED-UHFFFAOYSA-N -1 3 373.416 3.057 20 0 FGADHM O=C(CSc1ccccc1C(=O)Nc1cccc([O-])c1F)N1CCCC1 ZINC000128464180 495100860 /nfs/dbraw/zinc/10/08/60/495100860.db2.gz LDXWWSDEHLXJJX-UHFFFAOYSA-N -1 3 374.437 3.498 20 0 FGADHM CC(C)n1cnc(S(=O)(=O)[N-]CCCSc2ccc(F)cc2)c1 ZINC000134066062 495100995 /nfs/dbraw/zinc/10/09/95/495100995.db2.gz YASDFLCTPTYXMM-UHFFFAOYSA-N -1 3 357.476 3.064 20 0 FGADHM O=C(Nc1ccccc1[O-])[C@@H]1CCCC[C@H]1C(=O)Nc1ccccc1O ZINC000134075060 495102183 /nfs/dbraw/zinc/10/21/83/495102183.db2.gz PVLVBPPDXQRTMC-ZIAGYGMSSA-N -1 3 354.406 3.481 20 0 FGADHM CO[C@H](C)c1noc(CCC(=O)Nc2ccc([O-])c(C(F)(F)F)c2)n1 ZINC000134108554 495107134 /nfs/dbraw/zinc/10/71/34/495107134.db2.gz VATGMKXTIDPNIN-MRVPVSSYSA-N -1 3 359.304 3.073 20 0 FGADHM Cn1ncc2c1ncc(C(=O)N1CCC[C@@H]1c1cccc(Cl)c1)c2[O-] ZINC000119162323 495107690 /nfs/dbraw/zinc/10/76/90/495107690.db2.gz QQQLXUBUHZHROO-OAHLLOKOSA-N -1 3 356.813 3.305 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-]CCCc1nc2c(s1)CCCC2 ZINC000119202894 495116642 /nfs/dbraw/zinc/11/66/42/495116642.db2.gz HABMSLPRJCNZNV-UHFFFAOYSA-N -1 3 372.537 3.003 20 0 FGADHM O=c1[nH]c(Cc2nc(-c3ccccc3)n[n-]2)nc2cc(C(F)(F)F)ccc12 ZINC000102190418 495124779 /nfs/dbraw/zinc/12/47/79/495124779.db2.gz WOPVZPZGKNXQCS-UHFFFAOYSA-N -1 3 371.322 3.318 20 0 FGADHM O=c1[nH]c(Cc2nnc(-c3ccccc3)[n-]2)nc2cc(C(F)(F)F)ccc12 ZINC000102190418 495124781 /nfs/dbraw/zinc/12/47/81/495124781.db2.gz WOPVZPZGKNXQCS-UHFFFAOYSA-N -1 3 371.322 3.318 20 0 FGADHM O=c1[nH]c(Cc2n[n-]c(-c3ccccc3)n2)nc2cc(C(F)(F)F)ccc12 ZINC000102190418 495124786 /nfs/dbraw/zinc/12/47/86/495124786.db2.gz WOPVZPZGKNXQCS-UHFFFAOYSA-N -1 3 371.322 3.318 20 0 FGADHM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc3oc(=O)n(C)c3c2)c1C ZINC000102320910 495129136 /nfs/dbraw/zinc/12/91/36/495129136.db2.gz LSLXKLNSPJALFQ-UHFFFAOYSA-N -1 3 360.435 3.166 20 0 FGADHM CCC(O)(CC)C[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000123421012 495129516 /nfs/dbraw/zinc/12/95/16/495129516.db2.gz HRYUZXGQNVBPLS-UHFFFAOYSA-N -1 3 359.797 3.188 20 0 FGADHM C[C@H](c1ccc([N-]S(=O)(=O)c2cccc(F)c2)cc1)N1CCOCC1 ZINC000111994838 495135134 /nfs/dbraw/zinc/13/51/34/495135134.db2.gz ITXRSIMMUSKBCK-CQSZACIVSA-N -1 3 364.442 3.020 20 0 FGADHM Cc1[nH]c2c(cccc2C(=O)NCCCNC(=O)c2cccc([O-])c2)c1C ZINC000102471516 495137858 /nfs/dbraw/zinc/13/78/58/495137858.db2.gz KXTYTVGRRBSCKZ-UHFFFAOYSA-N -1 3 365.433 3.040 20 0 FGADHM COC(=O)CCc1nnc([N-]C(=O)c2cc3cc(Cl)ccc3o2)s1 ZINC000134426127 495147767 /nfs/dbraw/zinc/14/77/67/495147767.db2.gz OULNINWFDAFJKN-UHFFFAOYSA-N -1 3 365.798 3.296 20 0 FGADHM CCOC(=O)c1c(C(C)C)csc1[N-]C(=O)c1nc2nccc(C)n2n1 ZINC000112182681 495150845 /nfs/dbraw/zinc/15/08/45/495150845.db2.gz QOFPVDVOKTVYRM-UHFFFAOYSA-N -1 3 373.438 3.047 20 0 FGADHM CC[C@@H](C)[C@H](O)C[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000119383798 495155401 /nfs/dbraw/zinc/15/54/01/495155401.db2.gz DHVKYOOKTFXPDW-LDYMZIIASA-N -1 3 359.797 3.044 20 0 FGADHM Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000123608290 495159398 /nfs/dbraw/zinc/15/93/98/495159398.db2.gz KGXQKAFTAGLDDR-NSHDSACASA-N -1 3 357.801 3.235 20 0 FGADHM Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000123608290 495159401 /nfs/dbraw/zinc/15/94/01/495159401.db2.gz KGXQKAFTAGLDDR-NSHDSACASA-N -1 3 357.801 3.235 20 0 FGADHM O=C(CSCc1ccc(Cl)cc1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000123614613 495160671 /nfs/dbraw/zinc/16/06/71/495160671.db2.gz OMADXDJPIJJDJX-UHFFFAOYSA-N -1 3 359.842 3.392 20 0 FGADHM O=C(CSCc1ccc(Cl)cc1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000123614613 495160675 /nfs/dbraw/zinc/16/06/75/495160675.db2.gz OMADXDJPIJJDJX-UHFFFAOYSA-N -1 3 359.842 3.392 20 0 FGADHM CSCCCC[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000128867192 495161344 /nfs/dbraw/zinc/16/13/44/495161344.db2.gz WBUNVTXXAMRXDK-UHFFFAOYSA-N -1 3 356.282 3.010 20 0 FGADHM Cc1ccc(CN2CCC([N-]S(=O)(=O)c3cccs3)CC2)cc1F ZINC000123632542 495163398 /nfs/dbraw/zinc/16/33/98/495163398.db2.gz RWNOSGMFKCRYBH-UHFFFAOYSA-N -1 3 368.499 3.139 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1cc(Cl)cc2cccnc21 ZINC000102823582 495164892 /nfs/dbraw/zinc/16/48/92/495164892.db2.gz ZFKBANVPFMOUNH-UHFFFAOYSA-N -1 3 350.769 3.321 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cc(Cl)cc2cccnc21 ZINC000102823582 495164894 /nfs/dbraw/zinc/16/48/94/495164894.db2.gz ZFKBANVPFMOUNH-UHFFFAOYSA-N -1 3 350.769 3.321 20 0 FGADHM CC[C@H]1CCN1C(=O)c1sccc1S(=O)(=O)[N-]C1CCCCCC1 ZINC000574402754 505764990 /nfs/dbraw/zinc/76/49/90/505764990.db2.gz SGIICSRSDUFIQW-AWEZNQCLSA-N -1 3 370.540 3.374 20 0 FGADHM Cn1ccnc1-c1cc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)n[n-]1 ZINC000119503618 495178838 /nfs/dbraw/zinc/17/88/38/495178838.db2.gz CJTMLODPOULTDI-UHFFFAOYSA-N -1 3 359.817 3.260 20 0 FGADHM Cn1ccnc1-c1cc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)[n-]n1 ZINC000119503618 495178844 /nfs/dbraw/zinc/17/88/44/495178844.db2.gz CJTMLODPOULTDI-UHFFFAOYSA-N -1 3 359.817 3.260 20 0 FGADHM C[C@H]1CCN(C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)C[C@H]1n1ccnc1 ZINC000123945196 495210632 /nfs/dbraw/zinc/21/06/32/495210632.db2.gz RCOZPIJNWPOEJL-XJKSGUPXSA-N -1 3 355.438 3.026 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1cccc(Oc2ccncc2)c1 ZINC000112633256 495215099 /nfs/dbraw/zinc/21/50/99/495215099.db2.gz AHCPKSFYRLOXFI-UHFFFAOYSA-N -1 3 358.361 3.306 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cccc(Oc2ccncc2)c1 ZINC000112633256 495215102 /nfs/dbraw/zinc/21/51/02/495215102.db2.gz AHCPKSFYRLOXFI-UHFFFAOYSA-N -1 3 358.361 3.306 20 0 FGADHM Cc1cnn(Cc2cc(C(=O)Nc3cc(C(C)(C)C)ccc3[O-])no2)c1 ZINC000129264079 495220175 /nfs/dbraw/zinc/22/01/75/495220175.db2.gz LZCXHDLHSUSWJC-UHFFFAOYSA-N -1 3 354.410 3.483 20 0 FGADHM CC(C)[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cncc(Br)c1 ZINC000112674509 495221878 /nfs/dbraw/zinc/22/18/78/495221878.db2.gz UOTSKGDYNRBYNF-UONOGXRCSA-N -1 3 361.305 3.337 20 0 FGADHM Cc1ccc([O-])c(CN[C@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)n1 ZINC000103344832 495223031 /nfs/dbraw/zinc/22/30/31/495223031.db2.gz MSXXROLDXRNFBY-MRXNPFEDSA-N -1 3 368.481 3.203 20 0 FGADHM Cc1nc(C)c(CCC(=O)N(C)[C@@H](C)Cc2ccc(Cl)cc2)c(=O)[n-]1 ZINC000134989051 495235507 /nfs/dbraw/zinc/23/55/07/495235507.db2.gz HJOMMKMZDOLHJK-LBPRGKRZSA-N -1 3 361.873 3.062 20 0 FGADHM C[C@@H](NCc1nc2c3ccccc3oc2c(=O)[n-]1)c1ccc2c(c1)OCO2 ZINC000119763824 495235972 /nfs/dbraw/zinc/23/59/72/495235972.db2.gz CYLOWHPNMAQWJY-LLVKDONJSA-N -1 3 363.373 3.249 20 0 FGADHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)Cc3cc(F)c(F)cc3F)c2)n1 ZINC000135008557 495237489 /nfs/dbraw/zinc/23/74/89/495237489.db2.gz DTURLRSWYZSSIV-UHFFFAOYSA-N -1 3 373.334 3.344 20 0 FGADHM COc1ccccc1SC[C@H](C)C[N-]S(=O)(=O)c1cccs1 ZINC000103499134 495243947 /nfs/dbraw/zinc/24/39/47/495243947.db2.gz UDIXFYKZNXNNSA-GFCCVEGCSA-N -1 3 357.522 3.463 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@H](C)c3c(C)noc3C)nc2)n1 ZINC000129459807 495248052 /nfs/dbraw/zinc/24/80/52/495248052.db2.gz NQZQWCGLSNIVEV-NSHDSACASA-N -1 3 353.426 3.215 20 0 FGADHM O=S(=O)([N-]Cc1ccnc(OC2CCCCC2)c1)c1cccs1 ZINC000129488635 495252917 /nfs/dbraw/zinc/25/29/17/495252917.db2.gz YTGXEYCIQQKMIA-UHFFFAOYSA-N -1 3 352.481 3.333 20 0 FGADHM COC(=O)Cc1nnc(NC(=O)c2cc(-c3ccccc3)ccc2Cl)[n-]1 ZINC000135171232 495258817 /nfs/dbraw/zinc/25/88/17/495258817.db2.gz CFGVLWCPKWACMU-UHFFFAOYSA-N -1 3 370.796 3.093 20 0 FGADHM COC(=O)Cc1n[n-]c(NC(=O)c2cc(-c3ccccc3)ccc2Cl)n1 ZINC000135171232 495258820 /nfs/dbraw/zinc/25/88/20/495258820.db2.gz CFGVLWCPKWACMU-UHFFFAOYSA-N -1 3 370.796 3.093 20 0 FGADHM COC(=O)Cc1nc(NC(=O)c2cc(-c3ccccc3)ccc2Cl)n[n-]1 ZINC000135171232 495258824 /nfs/dbraw/zinc/25/88/24/495258824.db2.gz CFGVLWCPKWACMU-UHFFFAOYSA-N -1 3 370.796 3.093 20 0 FGADHM Cc1[nH]ncc1CCCNC(=O)c1cc(Br)cc(Cl)c1[O-] ZINC000124265333 495260526 /nfs/dbraw/zinc/26/05/26/495260526.db2.gz RVNSHKMGLCBOSE-UHFFFAOYSA-N -1 3 372.650 3.202 20 0 FGADHM CCC(CC)(CCO)C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000124274815 495261334 /nfs/dbraw/zinc/26/13/34/495261334.db2.gz UZLHFYXTNHGIOO-UHFFFAOYSA-N -1 3 354.299 3.461 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2ncccc2Br)c(C)c1C ZINC000135235280 495266678 /nfs/dbraw/zinc/26/66/78/495266678.db2.gz FXDYPBCAHFEXIY-UHFFFAOYSA-N -1 3 371.256 3.270 20 0 FGADHM O=C([N-]c1ccsc1)c1sccc1S(=O)(=O)NCc1ccco1 ZINC000135370789 495283409 /nfs/dbraw/zinc/28/34/09/495283409.db2.gz WYNNNOGUUNWACL-UHFFFAOYSA-N -1 3 368.461 3.133 20 0 FGADHM COC(=O)c1c(C2CC2)csc1[N-]C(=O)C(=O)Nc1cscc1C ZINC000120027128 495292071 /nfs/dbraw/zinc/29/20/71/495292071.db2.gz KLEYSGRKKYLZKT-UHFFFAOYSA-N -1 3 364.448 3.359 20 0 FGADHM COc1ccc(CCC[N-]S(=O)(=O)c2ccc(C)cc2F)cc1OC ZINC000104738326 495301997 /nfs/dbraw/zinc/30/19/97/495301997.db2.gz YDLVTYRLKKGASX-UHFFFAOYSA-N -1 3 367.442 3.062 20 0 FGADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@H]2CCC[C@@H](C)C2)cc1Cl ZINC000104734765 495302112 /nfs/dbraw/zinc/30/21/12/495302112.db2.gz BNGOCWNZXFNFGJ-KOLCDFICSA-N -1 3 362.854 3.295 20 0 FGADHM Cc1ccc(NC(=O)c2cc(Br)cnc2N(C)C)c([O-])c1 ZINC000113413920 495304519 /nfs/dbraw/zinc/30/45/19/495304519.db2.gz ULZBZHYYDVTQBT-UHFFFAOYSA-N -1 3 350.216 3.176 20 0 FGADHM CC1(C)CCCC[C@@H]1CC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000124554904 495306679 /nfs/dbraw/zinc/30/66/79/495306679.db2.gz GRHCWDNPCOPSKV-QGZVFWFLSA-N -1 3 358.482 3.283 20 0 FGADHM CCCOc1ccc(NC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)cc1Cl ZINC000104856833 495310247 /nfs/dbraw/zinc/31/02/47/495310247.db2.gz REOKVYZGUWFJMC-UHFFFAOYSA-N -1 3 358.781 3.265 20 0 FGADHM COc1cc(C(=O)NCc2ccc(-c3cccnc3)cc2)cc(OC)c1[O-] ZINC000124581119 495311573 /nfs/dbraw/zinc/31/15/73/495311573.db2.gz CVGSSFLGNOMHHV-UHFFFAOYSA-N -1 3 364.401 3.401 20 0 FGADHM COc1ccc(CS(=O)(=O)c2nc(C)c(Cc3ccccc3)[n-]2)cc1F ZINC000113636813 495323776 /nfs/dbraw/zinc/32/37/76/495323776.db2.gz SXDJUMDAJRSBAK-UHFFFAOYSA-N -1 3 374.437 3.431 20 0 FGADHM COc1ccc(CS(=O)(=O)c2nc(Cc3ccccc3)c(C)[n-]2)cc1F ZINC000113636813 495323777 /nfs/dbraw/zinc/32/37/77/495323777.db2.gz SXDJUMDAJRSBAK-UHFFFAOYSA-N -1 3 374.437 3.431 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]C[C@@H](C[C@H](C)O)c2ccccc2)c(F)cc1F ZINC000124689608 495328087 /nfs/dbraw/zinc/32/80/87/495328087.db2.gz ZMFHMIMRFYQQBC-DZGCQCFKSA-N -1 3 369.433 3.106 20 0 FGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@@H](C)C[C@@H]3CCCO3)s2)cs1 ZINC000120213184 495328921 /nfs/dbraw/zinc/32/89/21/495328921.db2.gz XIBBZPHWBCHZBE-JQWIXIFHSA-N -1 3 372.537 3.416 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1cc(F)cc(Br)c1 ZINC000130093677 495340776 /nfs/dbraw/zinc/34/07/76/495340776.db2.gz XWAZZUVVAOHJTH-UHFFFAOYSA-N -1 3 362.162 3.021 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cc(F)cc(Br)c1 ZINC000130093677 495340779 /nfs/dbraw/zinc/34/07/79/495340779.db2.gz XWAZZUVVAOHJTH-UHFFFAOYSA-N -1 3 362.162 3.021 20 0 FGADHM O=C(Cc1ccc([O-])cc1Cl)NC[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000136209370 495364865 /nfs/dbraw/zinc/36/48/65/495364865.db2.gz UIVVWASVMDNBTH-ZDUSSCGKSA-N -1 3 362.832 3.370 20 0 FGADHM CCc1nc([C@@H](C)S(=O)(=O)c2nc(C3CC3)n[n-]2)oc1-c1ccccc1 ZINC000124944732 495367823 /nfs/dbraw/zinc/36/78/23/495367823.db2.gz KZAMVFFAEISBHT-LLVKDONJSA-N -1 3 372.450 3.434 20 0 FGADHM CCc1nc([C@@H](C)S(=O)(=O)c2nnc(C3CC3)[n-]2)oc1-c1ccccc1 ZINC000124944732 495367829 /nfs/dbraw/zinc/36/78/29/495367829.db2.gz KZAMVFFAEISBHT-LLVKDONJSA-N -1 3 372.450 3.434 20 0 FGADHM Cc1ccc(C(=O)N[C@H](CC(=O)[N-]C2=NCCS2)c2ccccc2)cc1 ZINC000105577883 495372933 /nfs/dbraw/zinc/37/29/33/495372933.db2.gz CRAOOVJGLYVKMA-QGZVFWFLSA-N -1 3 367.474 3.075 20 0 FGADHM CC(C)c1cc(C[N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)on1 ZINC000114499338 495386710 /nfs/dbraw/zinc/38/67/10/495386710.db2.gz WQKYEUXQUUVZCJ-UHFFFAOYSA-N -1 3 366.336 3.434 20 0 FGADHM O=C(Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1)c1ccc2n[n-]nc2c1 ZINC000125088548 495389117 /nfs/dbraw/zinc/38/91/17/495389117.db2.gz ULHGNOIRXCXACA-UHFFFAOYSA-N -1 3 372.310 3.415 20 0 FGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1nc(-c2ccccc2C)cs1 ZINC000120637441 495424453 /nfs/dbraw/zinc/42/44/53/495424453.db2.gz UNRYJQFVLGTWER-UHFFFAOYSA-N -1 3 372.475 3.484 20 0 FGADHM COCCC1(C[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)CCC1 ZINC000125336290 495427781 /nfs/dbraw/zinc/42/77/81/495427781.db2.gz LKYUTDYDFGQSPO-UHFFFAOYSA-N -1 3 369.380 3.330 20 0 FGADHM COCCC1(C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)CCC1 ZINC000125344222 495429269 /nfs/dbraw/zinc/42/92/69/495429269.db2.gz BBRDVWKCODRZND-UHFFFAOYSA-N -1 3 352.283 3.479 20 0 FGADHM O=C(CCSc1n[n-]c(-c2ccccn2)n1)Nc1cc(F)cc(F)c1 ZINC000120688381 495435649 /nfs/dbraw/zinc/43/56/49/495435649.db2.gz OHQIWBNSHJCWJC-UHFFFAOYSA-N -1 3 361.377 3.266 20 0 FGADHM C[C@@H](CSc1ccc(F)cc1)C(=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000125508023 495455596 /nfs/dbraw/zinc/45/55/96/495455596.db2.gz 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CC(C)(C)Oc1c(F)cc(NC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)cc1F ZINC000180740454 496125507 /nfs/dbraw/zinc/12/55/07/496125507.db2.gz LPNVKTFSBUBXOG-UHFFFAOYSA-N -1 3 374.343 3.278 20 0 FGADHM Cc1cccc([C@@H](C)S(=O)(=O)Cc2nc(C(F)(F)F)cc(=O)[n-]2)c1 ZINC000155993698 496128089 /nfs/dbraw/zinc/12/80/89/496128089.db2.gz NCTGGFKQOIBEEE-SNVBAGLBSA-N -1 3 360.357 3.185 20 0 FGADHM CC(=O)N[C@@H](CC(C)C)C(=O)Nc1cc(Cc2ccccc2)ccc1[O-] ZINC000180756986 496134561 /nfs/dbraw/zinc/13/45/61/496134561.db2.gz LSBZPFWQBPYIKZ-IBGZPJMESA-N -1 3 354.450 3.472 20 0 FGADHM O=C(c1ccc([O-])cc1)N1CCN([C@@H]2CCc3c2cccc3Cl)CC1 ZINC000156038303 496139672 /nfs/dbraw/zinc/13/96/72/496139672.db2.gz UAFMIGDFTBFGRC-LJQANCHMSA-N -1 3 356.853 3.491 20 0 FGADHM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-]Cc1ccc(C(F)F)cc1 ZINC000183862124 496140448 /nfs/dbraw/zinc/14/04/48/496140448.db2.gz RUVUXRWMVZOJGX-UHFFFAOYSA-N -1 3 373.352 3.028 20 0 FGADHM O=S(=O)([N-]Cc1cscn1)c1cc(Cl)ccc1OCCC1CC1 ZINC000186812998 496164069 /nfs/dbraw/zinc/16/40/69/496164069.db2.gz ARIFBMNLYRCUNG-UHFFFAOYSA-N -1 3 372.899 3.454 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)c[nH]c2=O)c(Cl)c1 ZINC000152498660 496169877 /nfs/dbraw/zinc/16/98/77/496169877.db2.gz GQOOFCVCOIRXHN-UHFFFAOYSA-N -1 3 366.748 3.156 20 0 FGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)CCc2ccc(F)cc2F)c1 ZINC000156173895 496177747 /nfs/dbraw/zinc/17/77/47/496177747.db2.gz IWNLDDISUIRMQW-UHFFFAOYSA-N -1 3 368.405 3.216 20 0 FGADHM C[C@H](c1ncc(C(C)(C)C)o1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000177745159 496180819 /nfs/dbraw/zinc/18/08/19/496180819.db2.gz PETDJXUSKBDKFO-CQSZACIVSA-N -1 3 357.454 3.197 20 0 FGADHM O=C(c1ccc(O)cc1[O-])N1CCc2cc(Br)sc2C1 ZINC000152550743 496184537 /nfs/dbraw/zinc/18/45/37/496184537.db2.gz XJAPPUMOJBWUMP-UHFFFAOYSA-N -1 3 354.225 3.120 20 0 FGADHM C[C@H](NC(=O)[C@H](C)S(=O)(=O)c1cccc([O-])c1)c1ccc(Cl)cc1 ZINC000183993883 496191984 /nfs/dbraw/zinc/19/19/84/496191984.db2.gz AQHXEDJWCSXYKB-RYUDHWBXSA-N -1 3 367.854 3.085 20 0 FGADHM O=C(Nc1ccccc1[O-])C1CCN(C(=O)Nc2ccccc2F)CC1 ZINC000174988307 496195620 /nfs/dbraw/zinc/19/56/20/496195620.db2.gz YTCLQZJVCSHPGG-UHFFFAOYSA-N -1 3 357.385 3.414 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)c1nnc2ccccn21 ZINC000175010553 496205763 /nfs/dbraw/zinc/20/57/63/496205763.db2.gz FFEKZFSOFCWZFQ-SECBINFHSA-N -1 3 371.249 3.076 20 0 FGADHM Cn1ccnc1-c1cc(NC(=O)c2ccccc2NCc2ccco2)n[n-]1 ZINC000161695111 496223177 /nfs/dbraw/zinc/22/31/77/496223177.db2.gz DHUJXEGNBJAISB-UHFFFAOYSA-N -1 3 362.393 3.268 20 0 FGADHM Cn1ccnc1-c1cc(NC(=O)c2ccccc2NCc2ccco2)[n-]n1 ZINC000161695111 496223182 /nfs/dbraw/zinc/22/31/82/496223182.db2.gz DHUJXEGNBJAISB-UHFFFAOYSA-N -1 3 362.393 3.268 20 0 FGADHM COc1cc(C(=O)NCc2ccc(F)cc2C(F)(F)F)cc(OC)c1[O-] ZINC000161692102 496223479 /nfs/dbraw/zinc/22/34/79/496223479.db2.gz NFIOGDBVUCSRQY-UHFFFAOYSA-N -1 3 373.302 3.497 20 0 FGADHM Cn1ccnc1-c1cc(NC(=O)[C@H](OC(C)(C)C)c2ccccc2)n[n-]1 ZINC000152680766 496224091 /nfs/dbraw/zinc/22/40/91/496224091.db2.gz UJOKSQDVVWPTOP-MRXNPFEDSA-N -1 3 353.426 3.305 20 0 FGADHM Cn1ccnc1-c1cc(NC(=O)[C@H](OC(C)(C)C)c2ccccc2)[n-]n1 ZINC000152680766 496224096 /nfs/dbraw/zinc/22/40/96/496224096.db2.gz UJOKSQDVVWPTOP-MRXNPFEDSA-N -1 3 353.426 3.305 20 0 FGADHM CC(C)CC[C@@H](NC(=O)c1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1)C(C)(C)C ZINC000177861902 496228438 /nfs/dbraw/zinc/22/84/38/496228438.db2.gz WBVRAHHZOTWHJS-IIBYNOLFSA-N -1 3 373.497 3.322 20 0 FGADHM Cc1ccc(NC(=O)c2ncoc2-c2ccc3c(c2)OCCO3)c([O-])c1 ZINC000175059017 496230626 /nfs/dbraw/zinc/23/06/26/496230626.db2.gz LHJAIGJXNLWRIE-UHFFFAOYSA-N -1 3 352.346 3.379 20 0 FGADHM Cn1ccc2ccc([N-]S(=O)(=O)C[C@@]34CC[C@@H](CC3=O)C4(C)C)cc21 ZINC000186967556 496233647 /nfs/dbraw/zinc/23/36/47/496233647.db2.gz PDUGSELMEKCYDG-LIRRHRJNSA-N -1 3 360.479 3.315 20 0 FGADHM CCN(CC)c1ccc(C[N-]S(=O)(=O)c2ccccc2SC)cn1 ZINC000186976562 496236664 /nfs/dbraw/zinc/23/66/64/496236664.db2.gz JRYSDJULGQWLTJ-UHFFFAOYSA-N -1 3 365.524 3.128 20 0 FGADHM COc1ccccc1[C@H]([N-]S(=O)(=O)Cc1ccccc1)c1ccco1 ZINC000152723210 496236729 /nfs/dbraw/zinc/23/67/29/496236729.db2.gz LUDYQCRCNAZDIW-IBGZPJMESA-N -1 3 357.431 3.497 20 0 FGADHM COc1ccccc1[C@@H]([N-]S(=O)(=O)c1cccc(F)c1)c1ccco1 ZINC000152738401 496241772 /nfs/dbraw/zinc/24/17/72/496241772.db2.gz WQNDSVKPIJOPFE-GOSISDBHSA-N -1 3 361.394 3.495 20 0 FGADHM CC(C)[C@@H](C(=O)NCc1ccc([O-])c(Br)c1)N1CCCCC1 ZINC000156527060 496269077 /nfs/dbraw/zinc/26/90/77/496269077.db2.gz FMVVBVLCSPRTGV-INIZCTEOSA-N -1 3 369.303 3.281 20 0 FGADHM O=C(NCc1ccc([O-])c(Br)c1)c1cc(-c2ccco2)on1 ZINC000156547088 496275340 /nfs/dbraw/zinc/27/53/40/496275340.db2.gz YVTRSRUFOBPRJX-UHFFFAOYSA-N -1 3 363.167 3.333 20 0 FGADHM CC[C@@H]1CCCC[C@H]1OCC(=O)Nc1cc(C)ccc1[N-]S(C)(=O)=O ZINC000184184677 496276282 /nfs/dbraw/zinc/27/62/82/496276282.db2.gz ZRCVBHHWKLGVPW-RHSMWYFYSA-N -1 3 368.499 3.290 20 0 FGADHM O=C(NCCc1nc(C(F)(F)F)cs1)NCc1ccc([O-])c(F)c1 ZINC000175190116 496284469 /nfs/dbraw/zinc/28/44/69/496284469.db2.gz JVIVHJIBVKJHMS-UHFFFAOYSA-N -1 3 363.336 3.049 20 0 FGADHM Cc1cc([N-]C(=O)[C@@H](C)N2CCc3cccc(Br)c3C2)on1 ZINC000172405215 496285331 /nfs/dbraw/zinc/28/53/31/496285331.db2.gz NTKKYFWPTSLPCC-LLVKDONJSA-N -1 3 364.243 3.131 20 0 FGADHM C[C@@H](NC(=O)c1ccccc1[O-])[C@H](OC1CCOCC1)c1ccccc1 ZINC000156594022 496288184 /nfs/dbraw/zinc/28/81/84/496288184.db2.gz ATRVHOUTLLQNCP-QRWLVFNGSA-N -1 3 355.434 3.447 20 0 FGADHM COCc1cccc(CC(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)c1 ZINC000187119693 496301947 /nfs/dbraw/zinc/30/19/47/496301947.db2.gz PEVHPDMSLITNNV-UHFFFAOYSA-N -1 3 363.417 3.073 20 0 FGADHM O=C(Nc1ccc(Br)cc1[O-])c1ccnc(OCC(F)F)c1 ZINC000152952112 496304600 /nfs/dbraw/zinc/30/46/00/496304600.db2.gz ASZLZEQTUREBTD-UHFFFAOYSA-N -1 3 373.153 3.446 20 0 FGADHM O=C(c1ccc2c(c1)C(=O)[N-]C2=O)N(CCc1ccccc1)C1CCCC1 ZINC000162199032 496312643 /nfs/dbraw/zinc/31/26/43/496312643.db2.gz PMEFUULAPOCRDB-UHFFFAOYSA-N -1 3 362.429 3.198 20 0 FGADHM Cc1ccc(NC(=O)C[N-]S(=O)(=O)c2c(C)cccc2F)c(Cl)c1 ZINC000184270054 496312941 /nfs/dbraw/zinc/31/29/41/496312941.db2.gz NFMWCEYTBGDLBB-UHFFFAOYSA-N -1 3 370.833 3.013 20 0 FGADHM COc1ccc(-c2nc(NC(=O)c3cc4ccccc4[nH]3)n[n-]2)c(OC)c1 ZINC000162229463 496318552 /nfs/dbraw/zinc/31/85/52/496318552.db2.gz LCOZNSFTVULJKY-UHFFFAOYSA-N -1 3 363.377 3.223 20 0 FGADHM CC(C)(C(=O)Nc1ccc(F)c([N-]S(C)(=O)=O)c1)c1cccc(F)c1 ZINC000172506641 496321310 /nfs/dbraw/zinc/32/13/10/496321310.db2.gz LXWMOPWHKKXSHC-UHFFFAOYSA-N -1 3 368.405 3.253 20 0 FGADHM O=C(Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1)c1ccccc1[O-] ZINC000153000098 496322014 /nfs/dbraw/zinc/32/20/14/496322014.db2.gz MGESSYWVBCEODA-QGZVFWFLSA-N -1 3 362.433 3.288 20 0 FGADHM Cc1ccc(Cl)c(NC(=O)[C@H](C)[N-]S(=O)(=O)c2cccs2)c1 ZINC000162270921 496326500 /nfs/dbraw/zinc/32/65/00/496326500.db2.gz GKQJKZNMACKLOW-JTQLQIEISA-N -1 3 358.872 3.015 20 0 FGADHM C[C@H](C(=O)Nc1ccc(Cc2nnn[n-]2)cc1)c1cn(C)c2ccccc12 ZINC000184322007 496335061 /nfs/dbraw/zinc/33/50/61/496335061.db2.gz GVYJHZHHLGYNPL-ZDUSSCGKSA-N -1 3 360.421 3.024 20 0 FGADHM C[C@H](C(=O)Nc1ccc(Cc2nn[n-]n2)cc1)c1cn(C)c2ccccc12 ZINC000184322007 496335066 /nfs/dbraw/zinc/33/50/66/496335066.db2.gz GVYJHZHHLGYNPL-ZDUSSCGKSA-N -1 3 360.421 3.024 20 0 FGADHM CC(C)[C@H](C)CNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000172578491 496349478 /nfs/dbraw/zinc/34/94/78/496349478.db2.gz ZYUUZUALSIZMCU-SNVBAGLBSA-N -1 3 351.244 3.313 20 0 FGADHM O=C([O-])[C@@H](CSCCOc1ccccc1)NCc1ccc(F)cc1F ZINC000578003394 505838731 /nfs/dbraw/zinc/83/87/31/505838731.db2.gz NIIHECADUFYSIS-QGZVFWFLSA-N -1 3 367.417 3.320 20 0 FGADHM CCCN(C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)C1CC1 ZINC000172585015 496351705 /nfs/dbraw/zinc/35/17/05/496351705.db2.gz YVSVXCWGDVMQNN-UHFFFAOYSA-N -1 3 371.478 3.309 20 0 FGADHM C[C@H]1CCN(Cc2nc3ccc(Br)cc3n2C)[C@@H](C(=O)[O-])C1 ZINC000571887986 505839116 /nfs/dbraw/zinc/83/91/16/505839116.db2.gz FTODARJHOINACT-IINYFYTJSA-N -1 3 366.259 3.021 20 0 FGADHM Cc1cccc(S(=O)(=O)[N-][C@H](C)c2cccc(-n3cccn3)c2)c1F ZINC000181341760 496359113 /nfs/dbraw/zinc/35/91/13/496359113.db2.gz ASPATJJVBFPYHZ-CQSZACIVSA-N -1 3 359.426 3.359 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)c3cc4ccccc4nc3C)[n-]c21 ZINC000162488761 496361127 /nfs/dbraw/zinc/36/11/27/496361127.db2.gz JDFXWQMPRFEHIF-UHFFFAOYSA-N -1 3 360.373 3.458 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cc4ccccc4nc3C)nc21 ZINC000162488761 496361130 /nfs/dbraw/zinc/36/11/30/496361130.db2.gz JDFXWQMPRFEHIF-UHFFFAOYSA-N -1 3 360.373 3.458 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N[C@H]3C[C@H]3c3cccc(F)c3)c[n-]c12 ZINC000178188402 496362897 /nfs/dbraw/zinc/36/28/97/496362897.db2.gz UBFZEAOLTDTTBZ-YOEHRIQHSA-N -1 3 354.356 3.401 20 0 FGADHM CCc1ccccc1S(=O)(=O)[N-]c1ccc(N2CCOCC2)cc1C ZINC000187258934 496365727 /nfs/dbraw/zinc/36/57/27/496365727.db2.gz ZZVSSICDJCMRHH-UHFFFAOYSA-N -1 3 360.479 3.195 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)[C@H]3C[C@@H]3c3sccc3C)[n-]c21 ZINC000162526028 496366669 /nfs/dbraw/zinc/36/66/69/496366669.db2.gz QFEDTKSBFVLFOR-RYUDHWBXSA-N -1 3 355.419 3.462 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@H]3C[C@@H]3c3sccc3C)nc21 ZINC000162526028 496366673 /nfs/dbraw/zinc/36/66/73/496366673.db2.gz QFEDTKSBFVLFOR-RYUDHWBXSA-N -1 3 355.419 3.462 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)[C@H](C)c3cccc(OC)c3)[n-]c21 ZINC000162519693 496367270 /nfs/dbraw/zinc/36/72/70/496367270.db2.gz CEKMPJHRGAFJLZ-LLVKDONJSA-N -1 3 353.378 3.100 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@H](C)c3cccc(OC)c3)nc21 ZINC000162519693 496367274 /nfs/dbraw/zinc/36/72/74/496367274.db2.gz CEKMPJHRGAFJLZ-LLVKDONJSA-N -1 3 353.378 3.100 20 0 FGADHM CC(C)CNC(=O)c1ccc(NC(=O)c2cccc3nn[n-]c32)cc1Cl ZINC000187288994 496378478 /nfs/dbraw/zinc/37/84/78/496378478.db2.gz GEHMRWQYMBPSKY-UHFFFAOYSA-N -1 3 371.828 3.249 20 0 FGADHM CC(C)CNC(=O)c1ccc(NC(=O)c2cccc3[n-]nnc32)cc1Cl ZINC000187288994 496378484 /nfs/dbraw/zinc/37/84/84/496378484.db2.gz GEHMRWQYMBPSKY-UHFFFAOYSA-N -1 3 371.828 3.249 20 0 FGADHM CC(C)CNC(=O)c1ccc(NC(=O)c2cccc3n[n-]nc32)cc1Cl ZINC000187288994 496378489 /nfs/dbraw/zinc/37/84/89/496378489.db2.gz GEHMRWQYMBPSKY-UHFFFAOYSA-N -1 3 371.828 3.249 20 0 FGADHM CCN(CC1CCN(c2ccccn2)CC1)C(=O)c1ccc(C)cc1[O-] ZINC000175415588 496381654 /nfs/dbraw/zinc/38/16/54/496381654.db2.gz XFDBQLCEJXWMPC-UHFFFAOYSA-N -1 3 353.466 3.474 20 0 FGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N(C)Cc1cc(F)c(F)c(F)c1 ZINC000181411190 496384444 /nfs/dbraw/zinc/38/44/44/496384444.db2.gz MXZLJLUUEQUGAS-UHFFFAOYSA-N -1 3 367.371 3.065 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N[C@@H](C)c3nc4ccccc4[nH]3)c[n-]c12 ZINC000172697681 496390776 /nfs/dbraw/zinc/39/07/76/496390776.db2.gz ZKAJBMVZXLKTNT-NSHDSACASA-N -1 3 364.380 3.343 20 0 FGADHM O=C([N-]c1nc2ccc(Cl)cn2n1)c1cc(Br)cs1 ZINC000157062731 496396971 /nfs/dbraw/zinc/39/69/71/496396971.db2.gz GTSOOJXLTYRWJA-UHFFFAOYSA-N -1 3 357.620 3.459 20 0 FGADHM COC(=O)CCN(Cc1cccc(F)c1F)C(=O)c1cc(C)ccc1[O-] ZINC000175460172 496400509 /nfs/dbraw/zinc/40/05/09/496400509.db2.gz IETIVGTWGYEWDL-UHFFFAOYSA-N -1 3 363.360 3.184 20 0 FGADHM 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Cc1cc(F)cc2c(=O)c(C(=O)N3CC[C@@H](C(C)(C)C)[C@H](O)C3)c[n-]c12 ZINC000273639475 496860881 /nfs/dbraw/zinc/86/08/81/496860881.db2.gz UHCCJXSHILRIEE-HZPDHXFCSA-N -1 3 360.429 3.257 20 0 FGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CC2(C1)CCCCC2 ZINC000273693074 496876574 /nfs/dbraw/zinc/87/65/74/496876574.db2.gz BRTOULNALFHKJZ-UHFFFAOYSA-N -1 3 366.465 3.278 20 0 FGADHM COc1ccc(CN2CCC(CCCO)CC2)c(Br)c1[O-] ZINC000273798978 496911559 /nfs/dbraw/zinc/91/15/59/496911559.db2.gz WTOJFFGSATXIGO-UHFFFAOYSA-N -1 3 358.276 3.148 20 0 FGADHM COc1ccc(N(C)C(=O)c2ccc(C(=O)c3cccc([O-])c3)cc2)cn1 ZINC000188814776 496916965 /nfs/dbraw/zinc/91/69/65/496916965.db2.gz NGNFLEMPLUEFKZ-UHFFFAOYSA-N -1 3 362.385 3.303 20 0 FGADHM Cc1cccc(C(=O)NCc2ccccc2CN2C[C@@H](C)O[C@H](C)C2)c1[O-] ZINC000195625799 496955924 /nfs/dbraw/zinc/95/59/24/496955924.db2.gz LATIRLNGAZXQFI-IAGOWNOFSA-N -1 3 368.477 3.240 20 0 FGADHM COC(=O)c1ccc(CNC(=O)c2cc([O-])ccc2C(F)(F)F)cc1 ZINC000188997558 496973038 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COc1cc(C(=O)Nc2cccc(NC(=O)C3CC3)c2)cc(OC)c1[O-] ZINC000269905386 497022011 /nfs/dbraw/zinc/02/20/11/497022011.db2.gz FLYJFSJLDVSBBJ-UHFFFAOYSA-N -1 3 356.378 3.010 20 0 FGADHM Cc1oc2ncn(C)c(=O)c2c1C(=O)[N-]c1nc2c(cccc2Cl)s1 ZINC000192175062 497023855 /nfs/dbraw/zinc/02/38/55/497023855.db2.gz AUJXFJVUZLMNJI-UHFFFAOYSA-N -1 3 374.809 3.350 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@H]2[C@H](C)CCC[C@@H]2C)c1 ZINC000248499151 497027376 /nfs/dbraw/zinc/02/73/76/497027376.db2.gz MTAQMGPFYWDFII-FVGIMDHTSA-N -1 3 371.437 3.495 20 0 FGADHM CCc1ccc(C(=O)N(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)c([O-])c1 ZINC000189176370 497034346 /nfs/dbraw/zinc/03/43/46/497034346.db2.gz UYJYEFOKVUOGCU-CYBMUJFWSA-N -1 3 361.463 3.191 20 0 FGADHM O=C(c1ccc(C2CCC2)cc1)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000189196964 497040173 /nfs/dbraw/zinc/04/01/73/497040173.db2.gz XDIFBNKVXQCYJY-UHFFFAOYSA-N -1 3 364.445 3.258 20 0 FGADHM COCCN(C(=O)c1cc(NC(C)=O)ccc1[O-])[C@@H](C)c1ccccc1 ZINC000270049667 497047708 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CC(C)C[C@H](NC(=O)c1cc([O-])ccc1Cl)C(=O)Nc1nccs1 ZINC000278423842 497108565 /nfs/dbraw/zinc/10/85/65/497108565.db2.gz RASKDHHBLGLEML-ZDUSSCGKSA-N -1 3 367.858 3.285 20 0 FGADHM CCC(C)(C)C[N-]S(=O)(=O)c1cc(Br)ccc1OC ZINC000232934943 497112268 /nfs/dbraw/zinc/11/22/68/497112268.db2.gz JBOCIKBQYPXDHC-UHFFFAOYSA-N -1 3 350.278 3.172 20 0 FGADHM CCc1ccc(C(=O)Nc2ccc(NC(=O)[C@@H]3CCCO3)cc2)c([O-])c1 ZINC000189425491 497114562 /nfs/dbraw/zinc/11/45/62/497114562.db2.gz GYIJHCMXROBODM-SFHVURJKSA-N -1 3 354.406 3.324 20 0 FGADHM Cc1nc(C)c(S(=O)(=O)[N-][C@H](C)c2nc(C(F)(F)F)cs2)s1 ZINC000278472868 497126246 /nfs/dbraw/zinc/12/62/46/497126246.db2.gz ZUPSLMNACWMZDC-RXMQYKEDSA-N -1 3 371.431 3.275 20 0 FGADHM Cc1nc([N-]C(=O)c2cc(COC(C)(C)C)on2)n(-c2ccccc2)n1 ZINC000274577179 497127135 /nfs/dbraw/zinc/12/71/35/497127135.db2.gz JXVSFIKQZUPJCR-UHFFFAOYSA-N -1 3 355.398 3.131 20 0 FGADHM CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1ccc(C)c(C)c1[O-] ZINC000270567299 497151018 /nfs/dbraw/zinc/15/10/18/497151018.db2.gz AAFLIBPDVWGZSV-UHFFFAOYSA-N -1 3 362.376 3.388 20 0 FGADHM CC(C)c1ccc(C(=O)N2CCC(c3nnc4n3CCCC4)CC2)c([O-])c1 ZINC000274733255 497153691 /nfs/dbraw/zinc/15/36/91/497153691.db2.gz HYSHMHPRKWAHGY-UHFFFAOYSA-N -1 3 368.481 3.463 20 0 FGADHM Cc1ccc(CS(=O)(=O)[N-][C@@H](c2ccccc2)[C@H]2CCCO2)c(F)c1 ZINC000192585712 497156681 /nfs/dbraw/zinc/15/66/81/497156681.db2.gz WCJIOZABUOHDLJ-MOPGFXCFSA-N -1 3 363.454 3.474 20 0 FGADHM COc1cc(C(=O)N2C[C@H](c3ccccc3)OC[C@H]2C)cc(OC)c1[O-] ZINC000270652525 497170360 /nfs/dbraw/zinc/17/03/60/497170360.db2.gz ANVODZPENVGELM-FZKQIMNGSA-N -1 3 357.406 3.012 20 0 FGADHM CS(=O)(=O)[N-]c1cc(NC(=O)c2cc3c(s2)CCCC3)ccc1F ZINC000192666034 497179863 /nfs/dbraw/zinc/17/98/63/497179863.db2.gz YCPMFMBMZGWVIT-UHFFFAOYSA-N -1 3 368.455 3.390 20 0 FGADHM O=C(c1cc([O-])ccc1Cl)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000278684888 497189747 /nfs/dbraw/zinc/18/97/47/497189747.db2.gz QMHNZYPZEHTLAP-UHFFFAOYSA-N -1 3 371.824 3.166 20 0 FGADHM Cc1ccc(CS(=O)(=O)[N-]Cc2nc(C(F)(F)F)cs2)c(F)c1 ZINC000192706475 497190713 /nfs/dbraw/zinc/19/07/13/497190713.db2.gz JIHZRYMEWSZREM-UHFFFAOYSA-N -1 3 368.377 3.229 20 0 FGADHM C[C@@H](NC(=O)c1cc([O-])ccc1C(F)(F)F)c1ccc2c(c1)CC(=O)N2 ZINC000192759753 497206668 /nfs/dbraw/zinc/20/66/68/497206668.db2.gz IIZXHJJIKJXNHA-SECBINFHSA-N -1 3 364.323 3.397 20 0 FGADHM CCOC(=O)c1cc(NC(=O)[C@H](C)Oc2cccc3ccccc32)n[n-]1 ZINC000192851315 497230340 /nfs/dbraw/zinc/23/03/40/497230340.db2.gz RKTIXALHGBMSOR-LBPRGKRZSA-N -1 3 353.378 3.146 20 0 FGADHM CCOC(=O)c1cc(NC(=O)[C@H](C)Oc2cccc3ccccc32)[n-]n1 ZINC000192851315 497230343 /nfs/dbraw/zinc/23/03/43/497230343.db2.gz RKTIXALHGBMSOR-LBPRGKRZSA-N -1 3 353.378 3.146 20 0 FGADHM C[C@H](c1ccncc1)N1CCC(N=c2[n-]nc(C(F)(F)F)s2)CC1 ZINC000578233242 505893815 /nfs/dbraw/zinc/89/38/15/505893815.db2.gz SGCMWSHAWRYMNF-SNVBAGLBSA-N -1 3 357.405 3.011 20 0 FGADHM COC[C@H]([N-]S(=O)(=O)c1ccc(OC)c(F)c1)c1ccc(Cl)cc1 ZINC000192927716 497248178 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/nfs/dbraw/zinc/05/69/31/498056931.db2.gz BKNQFFOKNSPRFD-UHFFFAOYSA-N -1 3 355.394 3.243 20 0 FGADHM CC(C)(CO)O[N-]C(=O)Nc1ccc2nc(Cc3ccccc3)oc2c1 ZINC000296471789 498056936 /nfs/dbraw/zinc/05/69/36/498056936.db2.gz BKNQFFOKNSPRFD-UHFFFAOYSA-N -1 3 355.394 3.243 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@@H](O)c3c(F)cccc3F)nc2)n1 ZINC000301337965 498063542 /nfs/dbraw/zinc/06/35/42/498063542.db2.gz HENLGOTVOGEBOW-OAHLLOKOSA-N -1 3 372.375 3.230 20 0 FGADHM Cc1cc(OCCN2CCC[C@@H](n3cc(C(=O)[O-])nn3)C2)ccc1C(C)C ZINC000575412894 505974698 /nfs/dbraw/zinc/97/46/98/505974698.db2.gz ODMBHBHHSITYAI-MRXNPFEDSA-N -1 3 372.469 3.124 20 0 FGADHM COc1cc(C(=O)Nc2cn(C)nc2C2CCCCC2)cc(OC)c1[O-] ZINC000572473597 505977893 /nfs/dbraw/zinc/97/78/93/505977893.db2.gz DDOCBYGWDYKPGM-UHFFFAOYSA-N -1 3 359.426 3.443 20 0 FGADHM CC[C@@H](C)CON=C([O-])Nc1ccn(-c2ncccc2C(F)(F)F)n1 ZINC000292660487 498098274 /nfs/dbraw/zinc/09/82/74/498098274.db2.gz KVZXWEDVCDMYKD-SNVBAGLBSA-N -1 3 357.336 3.385 20 0 FGADHM CC[C@@H](C)CO[N-]C(=O)Nc1ccn(-c2ncccc2C(F)(F)F)n1 ZINC000292660487 498098279 /nfs/dbraw/zinc/09/82/79/498098279.db2.gz KVZXWEDVCDMYKD-SNVBAGLBSA-N -1 3 357.336 3.385 20 0 FGADHM CC(=O)Nc1ccc([O-])c(-c2nc(-c3ccc(CN(C)C)cc3)no2)c1 ZINC000350566779 498116497 /nfs/dbraw/zinc/11/64/97/498116497.db2.gz FWDRWPYEWGFVGH-UHFFFAOYSA-N -1 3 352.394 3.129 20 0 FGADHM Cc1ccc2c(ncc(C(=O)[O-])c2N2CC[C@@H]([C@H](O)C(F)(F)F)C2)c1C ZINC000572486695 505981030 /nfs/dbraw/zinc/98/10/30/505981030.db2.gz FYXQFACZEFMONN-BZNIZROVSA-N -1 3 368.355 3.299 20 0 FGADHM O=S(=O)([N-]C[C@H]1CCCC[C@H]1C(F)(F)F)c1cncc(Cl)c1 ZINC000330462950 498137246 /nfs/dbraw/zinc/13/72/46/498137246.db2.gz YWHTUCLXUPPVLU-BXKDBHETSA-N -1 3 356.797 3.382 20 0 FGADHM C[C@H](c1ncc(-c2ccc(Cl)cc2)o1)N1CCC(c2nc(=O)[n-][nH]2)CC1 ZINC000289420162 498139549 /nfs/dbraw/zinc/13/95/49/498139549.db2.gz MPWTTWOVPNDPFT-LLVKDONJSA-N -1 3 373.844 3.347 20 0 FGADHM COc1ccc(C)cc1S(=O)(=O)[N-][C@H](c1nccs1)C(F)(F)F ZINC000292793498 498150285 /nfs/dbraw/zinc/15/02/85/498150285.db2.gz LQPQSWFYHYZTSR-LLVKDONJSA-N -1 3 366.386 3.042 20 0 FGADHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C(C)(C)C)s1)[C@H](O)C(F)(F)F ZINC000330568729 498153511 /nfs/dbraw/zinc/15/35/11/498153511.db2.gz WXYGAZSHHXETPH-KCJUWKMLSA-N -1 3 359.435 3.026 20 0 FGADHM CC(C)CNC(=O)c1ccc([N-]S(=O)(=O)[C@@H]2C[C@H]2c2ccccc2)cc1 ZINC000569688754 505994170 /nfs/dbraw/zinc/99/41/70/505994170.db2.gz OOYCYNIZOQVLBS-RBUKOAKNSA-N -1 3 372.490 3.370 20 0 FGADHM CCc1ccccc1S(=O)(=O)[N-][C@@H](c1nccs1)C(F)(F)F ZINC000292831527 498163465 /nfs/dbraw/zinc/16/34/65/498163465.db2.gz OVDAWKRPMKZJNM-NSHDSACASA-N -1 3 350.387 3.287 20 0 FGADHM CCO[C@@H](c1noc(-c2ccc([N-]S(C)(=O)=O)cc2)n1)c1ccccc1 ZINC000351011160 498165671 /nfs/dbraw/zinc/16/56/71/498165671.db2.gz KEVLUUXXRUMZCG-MRXNPFEDSA-N -1 3 373.434 3.234 20 0 FGADHM C[N-]S(=O)(=O)c1cc(-c2nc(-c3ccc(Cl)cc3F)no2)c(C)o1 ZINC000578651498 505989913 /nfs/dbraw/zinc/98/99/13/505989913.db2.gz YFTJIDAOIUPXDU-UHFFFAOYSA-N -1 3 371.777 3.006 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(NCc3ccc(OC(F)F)cc3)nc2)n1 ZINC000364842770 498168616 /nfs/dbraw/zinc/16/86/16/498168616.db2.gz IUOXHEJUHBDOAR-UHFFFAOYSA-N -1 3 372.375 3.442 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCO[C@@H](c4ccccc4)C3)nc2)n1 ZINC000364889755 498193551 /nfs/dbraw/zinc/19/35/51/498193551.db2.gz YXXIARAPZCRAMF-GOSISDBHSA-N -1 3 362.433 3.385 20 0 FGADHM Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)c2ccc([N-]S(C)(=O)=O)cc2)C1 ZINC000330838696 498203258 /nfs/dbraw/zinc/20/32/58/498203258.db2.gz IRHYUOPCHRTUPJ-RDJZCZTQSA-N -1 3 372.490 3.385 20 0 FGADHM Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)c2ccc([N-]S(C)(=O)=O)cc2)C1 ZINC000330838699 498203954 /nfs/dbraw/zinc/20/39/54/498203954.db2.gz IRHYUOPCHRTUPJ-WBVHZDCISA-N -1 3 372.490 3.385 20 0 FGADHM CCc1ccc(NC(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)cc1 ZINC000289590303 498208467 /nfs/dbraw/zinc/20/84/67/498208467.db2.gz UBTJSQKLIRIKRO-CYBMUJFWSA-N -1 3 357.376 3.171 20 0 FGADHM C[C@H]1CCN(Cc2cccc(C(=O)Nc3ccccc3)c2)C[C@@H]1C(=O)[O-] ZINC000581488334 506000413 /nfs/dbraw/zinc/00/04/13/506000413.db2.gz CDHJQZIZLHXHHB-KXBFYZLASA-N -1 3 352.434 3.482 20 0 FGADHM Cc1nc(C)c(CCC(=O)N(Cc2ccsc2)c2cccnc2)c(=O)[n-]1 ZINC000281677346 498233791 /nfs/dbraw/zinc/23/37/91/498233791.db2.gz QKOHJSOLCYVUHT-UHFFFAOYSA-N -1 3 368.462 3.422 20 0 FGADHM COc1cc(C(=O)N2CCCN(C)c3cc(F)ccc32)cc(OC)c1[O-] ZINC000364975925 498236204 /nfs/dbraw/zinc/23/62/04/498236204.db2.gz YQASTIPHTIOSHH-UHFFFAOYSA-N -1 3 360.385 3.035 20 0 FGADHM CCOc1cc(CN2CCO[C@@H]3CC[C@H](OC)C[C@H]32)cc(Cl)c1[O-] ZINC000575783453 506003899 /nfs/dbraw/zinc/00/38/99/506003899.db2.gz FQQKGQKXAYESPT-NUEKZKHPSA-N -1 3 355.862 3.213 20 0 FGADHM Cc1ccc([C@@H]2C[C@H](C)N(C(=O)c3ccc([N-]S(C)(=O)=O)cc3)C2)cc1 ZINC000331101602 498252085 /nfs/dbraw/zinc/25/20/85/498252085.db2.gz DETCNCYGVZYKDM-MAUKXSAKSA-N -1 3 372.490 3.385 20 0 FGADHM C[C@H](CC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)c1ccc(F)cc1 ZINC000281744662 498254881 /nfs/dbraw/zinc/25/48/81/498254881.db2.gz OZMZGKPHNBBHJJ-GFCCVEGCSA-N -1 3 374.378 3.236 20 0 FGADHM CC[C@H](NC(=O)c1ccccc1)c1noc(-c2n[n-]nc2-c2ccccc2)n1 ZINC000569740915 506005097 /nfs/dbraw/zinc/00/50/97/506005097.db2.gz JQRFQGKGJSXCSI-HNNXBMFYSA-N -1 3 374.404 3.403 20 0 FGADHM [O-]C(=NOC[C@H]1CCOC1)Nc1cc(F)c(F)cc1N1CCCCC1 ZINC000289741925 498272806 /nfs/dbraw/zinc/27/28/06/498272806.db2.gz JONCPZPTDIAACA-LBPRGKRZSA-N -1 3 355.385 3.045 20 0 FGADHM O=C([N-]OC[C@H]1CCOC1)Nc1cc(F)c(F)cc1N1CCCCC1 ZINC000289741925 498272810 /nfs/dbraw/zinc/27/28/10/498272810.db2.gz JONCPZPTDIAACA-LBPRGKRZSA-N -1 3 355.385 3.045 20 0 FGADHM [O-]C(=NOC[C@@H]1CCOC1)Nc1cc(F)c(F)cc1N1CCCCC1 ZINC000289741917 498273583 /nfs/dbraw/zinc/27/35/83/498273583.db2.gz JONCPZPTDIAACA-GFCCVEGCSA-N -1 3 355.385 3.045 20 0 FGADHM O=C([N-]OC[C@@H]1CCOC1)Nc1cc(F)c(F)cc1N1CCCCC1 ZINC000289741917 498273591 /nfs/dbraw/zinc/27/35/91/498273591.db2.gz JONCPZPTDIAACA-GFCCVEGCSA-N -1 3 355.385 3.045 20 0 FGADHM C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2C(=O)NCc2ccc([O-])c(F)c2)C1 ZINC000281801544 498274472 /nfs/dbraw/zinc/27/44/72/498274472.db2.gz IKEHWRRCCDFKBJ-QCPWZWHMSA-N -1 3 350.434 3.002 20 0 FGADHM Cc1c([O-])ccc2c(CN3CC[C@@H](n4cc(Cl)cn4)C3)cc(=O)oc12 ZINC000289753975 498277591 /nfs/dbraw/zinc/27/75/91/498277591.db2.gz FNAMNMNZYJMOJA-CQSZACIVSA-N -1 3 359.813 3.104 20 0 FGADHM Cc1nc(-c2cccc(NC(=O)CCc3c(C)nc(C)[n-]c3=O)c2)[nH]c1C ZINC000365062004 498279045 /nfs/dbraw/zinc/27/90/45/498279045.db2.gz IWGQXOXAKWMZCS-UHFFFAOYSA-N -1 3 365.437 3.377 20 0 FGADHM CSC[C@@H](C)C(=O)N1CCC(C(=O)Nc2ccc(Cl)cc2[O-])CC1 ZINC000331282165 498291895 /nfs/dbraw/zinc/29/18/95/498291895.db2.gz VJOARTJGISCTEE-LLVKDONJSA-N -1 3 370.902 3.222 20 0 FGADHM COCc1ncc(C(=O)[N-]c2nc(C(C)(C)C)c(C(=O)OC)s2)s1 ZINC000286142606 498304913 /nfs/dbraw/zinc/30/49/13/498304913.db2.gz OMEBFYXVXHPDIV-UHFFFAOYSA-N -1 3 369.468 3.082 20 0 FGADHM CC(C)(O)CON=C([O-])Nc1ccnn1Cc1c(Cl)cccc1Cl ZINC000286157804 498309977 /nfs/dbraw/zinc/30/99/77/498309977.db2.gz LRIQOHXEAKZWCV-UHFFFAOYSA-N -1 3 373.240 3.062 20 0 FGADHM CC(C)(O)CO[N-]C(=O)Nc1ccnn1Cc1c(Cl)cccc1Cl ZINC000286157804 498309982 /nfs/dbraw/zinc/30/99/82/498309982.db2.gz LRIQOHXEAKZWCV-UHFFFAOYSA-N -1 3 373.240 3.062 20 0 FGADHM O=C(c1cc([O-])ccc1C(F)(F)F)N1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000286161748 498310739 /nfs/dbraw/zinc/31/07/39/498310739.db2.gz IETUCLDPGLRPMY-KWQFWETISA-N -1 3 371.277 3.044 20 0 FGADHM C[C@H](NC(=O)c1ccc([N-]S(C)(=O)=O)cc1)c1cccc(C2CC2)c1 ZINC000569782083 506014762 /nfs/dbraw/zinc/01/47/62/506014762.db2.gz AQMJUUJWHYSEHH-ZDUSSCGKSA-N -1 3 358.463 3.427 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(NCC3([C@H](C)CCO)CCC3)nc2)n1 ZINC000361047213 498337174 /nfs/dbraw/zinc/33/71/74/498337174.db2.gz BBAKYTZVAHHUGN-CQSZACIVSA-N -1 3 356.470 3.407 20 0 FGADHM CC(=O)N(c1ccc(NC(=O)[N-]OCCC(F)(F)F)cc1)[C@@H]1C[C@H]1C ZINC000297168875 498342368 /nfs/dbraw/zinc/34/23/68/498342368.db2.gz TUMYOTDOTDQTDF-QMTHXVAHSA-N -1 3 359.348 3.453 20 0 FGADHM Cc1c(-n2c([O-])c(CC(F)(F)F)[nH]c2=O)cnn1-c1cc(C)ccc1C ZINC000286267647 498344326 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C[C@@H](NC(=O)c1cc([O-])ccc1Cl)c1ccc(N2CCCNC2=O)cc1 ZINC000291031881 498764925 /nfs/dbraw/zinc/76/49/25/498764925.db2.gz JBJSPIVIMJNGKQ-GFCCVEGCSA-N -1 3 373.840 3.456 20 0 FGADHM CCOc1cc(CNc2ccc3c(c2)n(C)c(=O)n3C)cc(Cl)c1[O-] ZINC000298424217 498766839 /nfs/dbraw/zinc/76/68/39/498766839.db2.gz MQUNGXYEGRRLSY-UHFFFAOYSA-N -1 3 361.829 3.247 20 0 FGADHM COC(=O)c1c(C)csc1[N-]C(=O)C(=O)N(C)[C@H](C)c1ccccc1 ZINC000287503399 498780569 /nfs/dbraw/zinc/78/05/69/498780569.db2.gz QUXBHFLRWYYVMS-GFCCVEGCSA-N -1 3 360.435 3.001 20 0 FGADHM CCC(CC)(CO)C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000323194217 498819423 /nfs/dbraw/zinc/81/94/23/498819423.db2.gz IQOPEJGOIUSTRC-UHFFFAOYSA-N -1 3 373.824 3.436 20 0 FGADHM CC(C)(C)[C@@H](CCO)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000323866517 498823255 /nfs/dbraw/zinc/82/32/55/498823255.db2.gz SFTPHCFZNDQCMH-GFCCVEGCSA-N -1 3 373.824 3.434 20 0 FGADHM O=C(c1csc(=O)[n-]1)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000366272072 498852697 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C[C@@H](N/C=C1/C(=O)[N-]C(=O)c2ccccc21)c1ccc(-c2cncnc2)cc1 ZINC000363579532 498889126 /nfs/dbraw/zinc/88/91/26/498889126.db2.gz CPLRKBGBGLWMKZ-MQMKENTISA-N -1 3 370.412 3.105 20 0 FGADHM O=C(Nc1ccc(N2CCNC2=O)cc1)c1ccc2c(c1[O-])CCCC2 ZINC000333078043 498892182 /nfs/dbraw/zinc/89/21/82/498892182.db2.gz PWPJSWUDIYBOFO-UHFFFAOYSA-N -1 3 351.406 3.053 20 0 FGADHM Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000283483912 498899101 /nfs/dbraw/zinc/89/91/01/498899101.db2.gz XJONZSUGEOVKBK-CABCVRRESA-N -1 3 360.417 3.134 20 0 FGADHM CC(C)n1ncc2c1C[C@H](NC(=O)c1ccc3c(c1[O-])OC(C)(C)C3)CC2 ZINC000333108418 498900988 /nfs/dbraw/zinc/90/09/88/498900988.db2.gz WWQOJPNYAZUJOR-OAHLLOKOSA-N -1 3 369.465 3.170 20 0 FGADHM Cn1cc([C@@H]2CCCCN2C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)cn1 ZINC000333121672 498906363 /nfs/dbraw/zinc/90/63/63/498906363.db2.gz ZZCRISAUCICEAV-INIZCTEOSA-N -1 3 355.438 3.207 20 0 FGADHM O=S(=O)([N-][C@H]1CCO[C@@H](c2ccccc2)C1)c1cnc(Cl)c(F)c1 ZINC000287946942 498909803 /nfs/dbraw/zinc/90/98/03/498909803.db2.gz WGWNEOKRGYNQQF-SWLSCSKDSA-N -1 3 370.833 3.073 20 0 FGADHM COC(=O)[C@@H]1CCCC[C@@]1(C)NC(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000287982279 498917656 /nfs/dbraw/zinc/91/76/56/498917656.db2.gz AOWAESWIXSNLCL-MGPUTAFESA-N -1 3 374.412 3.240 20 0 FGADHM CCc1cc(C(=O)N2CCC(C(=O)Nc3ccccc3O)CC2)ccc1[O-] ZINC000291407254 498928605 /nfs/dbraw/zinc/92/86/05/498928605.db2.gz FXEOPBHWDVGDPB-UHFFFAOYSA-N -1 3 368.433 3.151 20 0 FGADHM CCc1cc(C(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)ccc1O ZINC000291407254 498928613 /nfs/dbraw/zinc/92/86/13/498928613.db2.gz FXEOPBHWDVGDPB-UHFFFAOYSA-N -1 3 368.433 3.151 20 0 FGADHM O=C(NCc1nnc(C2CC2)n1C1CC1)c1cc2c(cc1[O-])CCCC2 ZINC000333262860 498958141 /nfs/dbraw/zinc/95/81/41/498958141.db2.gz MKCOYYZYCQCMNM-UHFFFAOYSA-N -1 3 352.438 3.005 20 0 FGADHM C[C@H](c1ccc2ccccc2c1)N(C(=O)c1cn(C)c(=O)[n-]c1=O)C1CC1 ZINC000299092442 498961956 /nfs/dbraw/zinc/96/19/56/498961956.db2.gz AHABOVXNTYLOMC-CYBMUJFWSA-N -1 3 363.417 3.005 20 0 FGADHM C[C@H]1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])CC12CCC2 ZINC000333303077 498973344 /nfs/dbraw/zinc/97/33/44/498973344.db2.gz TXQFZNAKRMLPLZ-DOTOQJQBSA-N -1 3 356.466 3.036 20 0 FGADHM O=C1CC[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)[C@H](C2CC2)N1 ZINC000328889336 498974899 /nfs/dbraw/zinc/97/48/99/498974899.db2.gz QTRRYRSQERVYKE-RISCZKNCSA-N -1 3 363.266 3.169 20 0 FGADHM COc1ccc([N-]S(=O)(=O)c2ccc(C3CC3)cc2)cc1NC(C)=O ZINC000295326115 498981007 /nfs/dbraw/zinc/98/10/07/498981007.db2.gz OPVRJSLEGZTNOH-UHFFFAOYSA-N -1 3 360.435 3.332 20 0 FGADHM COc1cc2c(cc1CNC[C@@H](Cc1cccc(C)c1)C(=O)[O-])O[C@H](C)C2 ZINC000582051769 506122721 /nfs/dbraw/zinc/12/27/21/506122721.db2.gz FBTBWSDQAIXKKM-DNVCBOLYSA-N -1 3 369.461 3.360 20 0 FGADHM CS(=O)(=O)[N-]c1ccc(C(=O)N2CCCCCc3ccccc32)cc1 ZINC000333339234 498985240 /nfs/dbraw/zinc/98/52/40/498985240.db2.gz OLWQCNYXEOLTIG-UHFFFAOYSA-N -1 3 358.463 3.431 20 0 FGADHM CO[C@H](CS(=O)(=O)[N-]c1ccc(NC(=O)C2CC2)cc1)c1ccccc1 ZINC000295400524 499006490 /nfs/dbraw/zinc/00/64/90/499006490.db2.gz WEESKVRXIKXIBR-GOSISDBHSA-N -1 3 374.462 3.165 20 0 FGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000299260876 499009104 /nfs/dbraw/zinc/00/91/04/499009104.db2.gz QXPQQLSYYUCDSJ-PMUMKWKESA-N -1 3 368.481 3.426 20 0 FGADHM Cc1ccccc1[C@H](C)CC(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C ZINC000291634754 499019366 /nfs/dbraw/zinc/01/93/66/499019366.db2.gz VCWIFYZAWQZGLP-CYBMUJFWSA-N -1 3 353.422 3.023 20 0 FGADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCC(=O)N[C@H]2C(C)(C)C)c(F)cc1F ZINC000329077175 499034884 /nfs/dbraw/zinc/03/48/84/499034884.db2.gz QCJUFSZLJMXQNT-IUODEOHRSA-N -1 3 360.426 3.085 20 0 FGADHM CC(C)(C)OC(=O)N[C@H]1CCCC[C@@H]1CC(=O)[N-]OCc1cccnc1 ZINC000295508216 499038064 /nfs/dbraw/zinc/03/80/64/499038064.db2.gz RHOQWDZATXLFGK-CVEARBPZSA-N -1 3 363.458 3.103 20 0 FGADHM COc1ccc(-c2cc3[n-]c(CN[C@H](C)[C@H](C)CO)nc(=O)c3s2)cc1 ZINC000299378536 499041579 /nfs/dbraw/zinc/04/15/79/499041579.db2.gz QPGQUYODIGIGKR-VXGBXAGGSA-N -1 3 373.478 3.179 20 0 FGADHM COc1ccc(-c2cc3[n-]c(CN[C@@H](C)[C@@H](C)CO)nc(=O)c3s2)cc1 ZINC000299377107 499041661 /nfs/dbraw/zinc/04/16/61/499041661.db2.gz QPGQUYODIGIGKR-RYUDHWBXSA-N -1 3 373.478 3.179 20 0 FGADHM COC(=O)c1c(F)ccc([N-]C(=O)c2oc3c(c2C)C(=O)CCC3)c1F ZINC000291729968 499049999 /nfs/dbraw/zinc/04/99/99/499049999.db2.gz RJXGANGFFDAMFC-UHFFFAOYSA-N -1 3 363.316 3.424 20 0 FGADHM Cc1c(NC(=O)c2cc3c(cc2[O-])CCCC3)cnn1C1CCOCC1 ZINC000295619901 499064301 /nfs/dbraw/zinc/06/43/01/499064301.db2.gz RNAJSOCRJJAMKY-UHFFFAOYSA-N -1 3 355.438 3.380 20 0 FGADHM Cn1ncc(C(=O)[N-]c2ccccc2SC[C@@H]2CC2(Cl)Cl)n1 ZINC000284209619 499068827 /nfs/dbraw/zinc/06/88/27/499068827.db2.gz ZTSLCVSQZJZQJP-VIFPVBQESA-N -1 3 357.266 3.353 20 0 FGADHM C[C@@H]1C[C@@H](S(=O)(=O)[N-]C(c2cccs2)c2cccs2)CCO1 ZINC000295681647 499079401 /nfs/dbraw/zinc/07/94/01/499079401.db2.gz RXJNMZCECYMEOX-NEPJUHHUSA-N -1 3 357.522 3.386 20 0 FGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)[C@@H]2CCC(=O)c3ccccc32)c1 ZINC000284275468 499080560 /nfs/dbraw/zinc/08/05/60/499080560.db2.gz HWOKDIYDFLMMTL-OAHLLOKOSA-N -1 3 372.446 3.065 20 0 FGADHM O=C1[N-]C(=O)N2CCN(Cc3cccc(OCC4CCCCC4)c3)C[C@H]12 ZINC000329258116 499085958 /nfs/dbraw/zinc/08/59/58/499085958.db2.gz CFBSZYQVNGGITJ-GOSISDBHSA-N -1 3 357.454 3.222 20 0 FGADHM Cc1n[nH]cc1-c1nnc([N-]C(=O)c2cc(F)c(F)cc2Cl)s1 ZINC000364017458 499087896 /nfs/dbraw/zinc/08/78/96/499087896.db2.gz ZYYWQRFIYJBCTM-UHFFFAOYSA-N -1 3 355.757 3.421 20 0 FGADHM Cn1ccnc1-c1nnc([N-]C(=O)c2cc(Cl)cc3cccnc32)s1 ZINC000366831805 499088038 /nfs/dbraw/zinc/08/80/38/499088038.db2.gz OGMNCIXUOBSYBE-UHFFFAOYSA-N -1 3 370.825 3.393 20 0 FGADHM COc1ccccc1[C@H]([N-]S(=O)(=O)CCC(F)(F)F)c1ccco1 ZINC000284368996 499096376 /nfs/dbraw/zinc/09/63/76/499096376.db2.gz RENODGAPQKJQFH-AWEZNQCLSA-N -1 3 363.357 3.249 20 0 FGADHM C[C@@H]1CC[C@]2(CCN(C(=O)c3cccc([C@@]4(C)NC(=O)[N-]C4=O)c3)C2)C1 ZINC000329324629 499099933 /nfs/dbraw/zinc/09/99/33/499099933.db2.gz VRCMYLQAZMFKCP-GBLZOACLSA-N -1 3 355.438 3.438 20 0 FGADHM CCc1ccc(C(=O)N2CCC(O)(Cc3ccccc3F)CC2)c([O-])c1 ZINC000366904666 499111127 /nfs/dbraw/zinc/11/11/27/499111127.db2.gz BLCASGYUARTMCH-UHFFFAOYSA-N -1 3 357.425 3.304 20 0 FGADHM Cc1cscc1CNC(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000370095587 499179676 /nfs/dbraw/zinc/17/96/76/499179676.db2.gz WJXZSPMUWVKCJZ-UHFFFAOYSA-N -1 3 373.478 3.322 20 0 FGADHM Cc1c(-c2ccncc2)[n-][nH]c1=NC(=O)c1ccc2c(C)cc(=O)[nH]c2c1 ZINC000367317310 499180547 /nfs/dbraw/zinc/18/05/47/499180547.db2.gz JTNZZOQURHSKIN-UHFFFAOYSA-N -1 3 359.389 3.017 20 0 FGADHM O=C(Cc1ccc([O-])cc1Cl)NCc1noc(-c2ccccc2F)n1 ZINC000370135150 499186172 /nfs/dbraw/zinc/18/61/72/499186172.db2.gz YXPYROWZPOSGJN-UHFFFAOYSA-N -1 3 361.760 3.094 20 0 FGADHM C[C@H](c1ccccc1)N1CCC(NC(=O)c2s[n-]c(=O)c2Cl)CC1 ZINC000367398175 499194291 /nfs/dbraw/zinc/19/42/91/499194291.db2.gz DMBUHSLLRVCLFB-LLVKDONJSA-N -1 3 365.886 3.458 20 0 FGADHM CC[C@@H]1CN(C)c2ccccc2CN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000370347665 499211882 /nfs/dbraw/zinc/21/18/82/499211882.db2.gz VPMMRKIQBOTHDR-MRXNPFEDSA-N -1 3 361.445 3.399 20 0 FGADHM CC(C)CC1(CNC(=O)NC2CCN(C(=O)c3cccc([O-])c3)CC2)CC1 ZINC000370376476 499214559 /nfs/dbraw/zinc/21/45/59/499214559.db2.gz BFLSTCZBAZPXBR-UHFFFAOYSA-N -1 3 373.497 3.122 20 0 FGADHM Cn1cc(C(=O)Nc2cc(Br)ccc2[O-])c(C2CCC2)n1 ZINC000573185743 506137944 /nfs/dbraw/zinc/13/79/44/506137944.db2.gz FRLXMHUIDALJDB-UHFFFAOYSA-N -1 3 350.216 3.408 20 0 FGADHM COCCCCN(Cc1ccccc1)C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000576357724 506138823 /nfs/dbraw/zinc/13/88/23/506138823.db2.gz RBFDPWBPRCFTSC-UHFFFAOYSA-N -1 3 355.438 3.129 20 0 FGADHM CC[C@@H]1C[C@H]1NC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000370659451 499240855 /nfs/dbraw/zinc/24/08/55/499240855.db2.gz SOQMJFABCPHIMN-BXUZGUMPSA-N -1 3 365.861 3.204 20 0 FGADHM C[C@H]1C[C@H](c2ccccc2)CCN1C(=O)c1cnc2c(cnn2C)c1[O-] ZINC000370698787 499245457 /nfs/dbraw/zinc/24/54/57/499245457.db2.gz KHANADPUAHRXRE-DZGCQCFKSA-N -1 3 350.422 3.082 20 0 FGADHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H](C)[C@H]([NH3+])c3ccccc3)c2)n1 ZINC000370798094 499255122 /nfs/dbraw/zinc/25/51/22/499255122.db2.gz IEYHWAPKQRAPCE-KUHUBIRLSA-N -1 3 362.433 3.432 20 0 FGADHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H](C)[C@H](N)c3ccccc3)c2)n1 ZINC000370798094 499255123 /nfs/dbraw/zinc/25/51/23/499255123.db2.gz IEYHWAPKQRAPCE-KUHUBIRLSA-N -1 3 362.433 3.432 20 0 FGADHM CCCc1nc(C)c(C[N-]S(=O)(=O)c2cccc3c(C)ccnc32)o1 ZINC000579305522 506141350 /nfs/dbraw/zinc/14/13/50/506141350.db2.gz DRGCLQIPZAQGJP-UHFFFAOYSA-N -1 3 359.451 3.271 20 0 FGADHM O=S(=O)(CCOc1ccccc1)[N-][C@H](c1nccs1)c1ccccc1 ZINC000368135688 499268044 /nfs/dbraw/zinc/26/80/44/499268044.db2.gz RNLCTQBRPIWENE-KRWDZBQOSA-N -1 3 374.487 3.231 20 0 FGADHM CCc1cc(C(=O)N[C@H](c2nccn2C)c2cccc(F)c2)ccc1[O-] ZINC000368290734 499282219 /nfs/dbraw/zinc/28/22/19/499282219.db2.gz OJIDPHVDBHAKLB-SFHVURJKSA-N -1 3 353.397 3.347 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CC3(CCC3)C[C@@H]2C)c1 ZINC000368436372 499295796 /nfs/dbraw/zinc/29/57/96/499295796.db2.gz ALLFXKVAEZUJCM-LBPRGKRZSA-N -1 3 369.421 3.346 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC[C@H](c4cc(C)[nH]n4)C3)nc2)n1 ZINC000371202520 499297940 /nfs/dbraw/zinc/29/79/40/499297940.db2.gz KHFCKEUSUSFUKO-HNNXBMFYSA-N -1 3 364.453 3.222 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC[C@H](c4cc(C)n[nH]4)C3)nc2)n1 ZINC000371202520 499297941 /nfs/dbraw/zinc/29/79/41/499297941.db2.gz KHFCKEUSUSFUKO-HNNXBMFYSA-N -1 3 364.453 3.222 20 0 FGADHM O=S(=O)([N-][C@@H](c1ccccc1)c1cccnc1)c1cncc(Cl)c1 ZINC000371373414 499316659 /nfs/dbraw/zinc/31/66/59/499316659.db2.gz MAAGSUVXSZTIFE-KRWDZBQOSA-N -1 3 359.838 3.198 20 0 FGADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000368656170 499318246 /nfs/dbraw/zinc/31/82/46/499318246.db2.gz UIRRNFVOYSGZQG-IBGZPJMESA-N -1 3 368.820 3.395 20 0 FGADHM Cc1c2cc(Cl)ccc2oc1C(=O)[N-]c1ncn(-c2ccccn2)n1 ZINC000371394298 499320179 /nfs/dbraw/zinc/32/01/79/499320179.db2.gz YKVLRCXQUDIHBL-UHFFFAOYSA-N -1 3 353.769 3.045 20 0 FGADHM Cc1c(-c2ccncc2)[n-][nH]c1=NC(=O)c1ccc(-c2ccccc2)[nH]c1=O ZINC000368821516 499336485 /nfs/dbraw/zinc/33/64/85/499336485.db2.gz HUDFDMYFHCPOIR-UHFFFAOYSA-N -1 3 371.400 3.222 20 0 FGADHM O=c1cc(CN2CCC(c3noc(C4CC4)n3)CC2)c2ccc([O-])cc2o1 ZINC000368853751 499339938 /nfs/dbraw/zinc/33/99/38/499339938.db2.gz LFWKFGYCCWXQHM-UHFFFAOYSA-N -1 3 367.405 3.139 20 0 FGADHM O=c1cc(CN2CC[C@H](n3cc4ccccc4n3)C2)c2ccc([O-])cc2o1 ZINC000371658505 499351624 /nfs/dbraw/zinc/35/16/24/499351624.db2.gz BDWOHQYFCYTDGZ-INIZCTEOSA-N -1 3 361.401 3.295 20 0 FGADHM Cc1cc(CN2CCC(N(C)C(=O)c3ccc(Cl)cc3[O-])CC2)on1 ZINC000368971155 499352230 /nfs/dbraw/zinc/35/22/30/499352230.db2.gz ZPKDTDHOXWLJFQ-UHFFFAOYSA-N -1 3 363.845 3.079 20 0 FGADHM CC(C)n1ncc2c1C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1Cl)CC2 ZINC000368978378 499352883 /nfs/dbraw/zinc/35/28/83/499352883.db2.gz QVAWPANSOQPKQX-CYBMUJFWSA-N -1 3 371.865 3.092 20 0 FGADHM O=C(c1csc(=O)[n-]1)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000369136827 499369518 /nfs/dbraw/zinc/36/95/18/499369518.db2.gz AHZWFZBWLBDFMV-LBPRGKRZSA-N -1 3 359.234 3.369 20 0 FGADHM CC1(C)CCCC[C@@H]1NC(=O)NC1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000371968088 499385002 /nfs/dbraw/zinc/38/50/02/499385002.db2.gz XGRVPMYSTLLHEZ-SFHVURJKSA-N -1 3 373.497 3.265 20 0 FGADHM CCC[C@@H](C)CS(=O)(=O)[N-][C@H](c1noc(C2CC2)n1)c1ccccc1 ZINC000369288517 499387783 /nfs/dbraw/zinc/38/77/83/499387783.db2.gz REJSWFQSFGNPDY-CJNGLKHVSA-N -1 3 363.483 3.392 20 0 FGADHM CCCC[C@H](CC)CC(=O)N1CCC(c2n[n-]c(C(=O)OCC)n2)CC1 ZINC000369364887 499395851 /nfs/dbraw/zinc/39/58/51/499395851.db2.gz ZHYAMYUUMRQWPL-AWEZNQCLSA-N -1 3 364.490 3.294 20 0 FGADHM CCCC[C@H](CC)CC(=O)N1CCC(c2nnc(C(=O)OCC)[n-]2)CC1 ZINC000369364887 499395852 /nfs/dbraw/zinc/39/58/52/499395852.db2.gz ZHYAMYUUMRQWPL-AWEZNQCLSA-N -1 3 364.490 3.294 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)N[C@H](c1ccccc1)C1CCOCC1 ZINC000369523330 499412542 /nfs/dbraw/zinc/41/25/42/499412542.db2.gz UWARREFRYDBCQD-LJQANCHMSA-N -1 3 358.413 3.498 20 0 FGADHM Cc1cc(C(=O)[N-]c2nc(-c3ccc4c(c3)CN(C)C(=O)N4)cs2)on1 ZINC000372995899 499446588 /nfs/dbraw/zinc/44/65/88/499446588.db2.gz HLMRZSQNRACSSF-UHFFFAOYSA-N -1 3 369.406 3.336 20 0 FGADHM CC(C)n1ncc2c1C[C@H](NC(=O)c1cc([O-])ccc1C(F)(F)F)CC2 ZINC000373495146 499473176 /nfs/dbraw/zinc/47/31/76/499473176.db2.gz DPUPEXRHPALILU-GFCCVEGCSA-N -1 3 367.371 3.476 20 0 FGADHM Cn1cc(-c2cc(F)ccc2NC(=O)c2cc(-c3ccco3)[n-]n2)cn1 ZINC000373623209 499480446 /nfs/dbraw/zinc/48/04/46/499480446.db2.gz LTEIREKEVZQTMU-UHFFFAOYSA-N -1 3 351.341 3.462 20 0 FGADHM Cn1cc(-c2cc(F)ccc2NC(=O)c2cc(-c3ccco3)n[n-]2)cn1 ZINC000373623209 499480447 /nfs/dbraw/zinc/48/04/47/499480447.db2.gz LTEIREKEVZQTMU-UHFFFAOYSA-N -1 3 351.341 3.462 20 0 FGADHM O=c1[n-]nc(CN[C@H](c2cc(Cl)ccc2Cl)[C@@H]2CCOC2)s1 ZINC000375362082 499510702 /nfs/dbraw/zinc/51/07/02/499510702.db2.gz NKWZBICYWBBCNW-OQPBUACISA-N -1 3 360.266 3.418 20 0 FGADHM O=c1[n-]nc(CN[C@H](c2cc(Cl)ccc2Cl)[C@H]2CCOC2)s1 ZINC000375362083 499510713 /nfs/dbraw/zinc/51/07/13/499510713.db2.gz NKWZBICYWBBCNW-SDBXPKJASA-N -1 3 360.266 3.418 20 0 FGADHM CCc1cc(=O)[n-]c(CN[C@@H](C)c2ccc(-n3ccnc3C)c(F)c2)n1 ZINC000378467747 499520674 /nfs/dbraw/zinc/52/06/74/499520674.db2.gz WHMOZUQITPAIQZ-LBPRGKRZSA-N -1 3 355.417 3.229 20 0 FGADHM C[C@@H](NC(=O)c1cc([O-])c2ccccc2c1)c1nnc2n1CCCCC2 ZINC000375660979 499542481 /nfs/dbraw/zinc/54/24/81/499542481.db2.gz AWEMSRCNQZNXKX-CYBMUJFWSA-N -1 3 350.422 3.354 20 0 FGADHM O=C(N[C@@H]1CCN(c2ncccc2F)C1)c1cc([O-])c2ccccc2c1 ZINC000375675297 499544061 /nfs/dbraw/zinc/54/40/61/499544061.db2.gz TYBJBWMLTSTJMI-OAHLLOKOSA-N -1 3 351.381 3.088 20 0 FGADHM O=C([O-])C1(CC(=O)NC[C@@H]2CCCN2Cc2ccccc2)CCCCC1 ZINC000390554502 499554458 /nfs/dbraw/zinc/55/44/58/499554458.db2.gz PWTZRAXMCKJTFA-SFHVURJKSA-N -1 3 358.482 3.192 20 0 FGADHM C[C@@H](CNC(=O)C[C@@](C)(C(=O)[O-])c1ccccc1)N(C)Cc1ccccc1 ZINC000390464167 499554493 /nfs/dbraw/zinc/55/44/93/499554493.db2.gz HCBHNUCHZNISAX-HTAPYJJXSA-N -1 3 368.477 3.056 20 0 FGADHM O=S(=O)([N-]C[C@H]1CCCC1(F)F)c1ccc(Br)c(F)c1 ZINC000390978157 499556077 /nfs/dbraw/zinc/55/60/77/499556077.db2.gz DMHKGOYYLHVXPY-MRVPVSSYSA-N -1 3 372.206 3.302 20 0 FGADHM O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2CN1Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000392510952 499558692 /nfs/dbraw/zinc/55/86/92/499558692.db2.gz SYEBFVKVVCWJRI-IOASZLSFSA-N -1 3 351.830 3.186 20 0 FGADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@H](C)[C@H]1CC2CCC1CC2 ZINC000394463123 499561781 /nfs/dbraw/zinc/56/17/81/499561781.db2.gz WPEHEBDUVQVLRK-NEQJSVFRSA-N -1 3 369.458 3.105 20 0 FGADHM C[C@H](CCCCO)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000398650455 499567498 /nfs/dbraw/zinc/56/74/98/499567498.db2.gz BJPAKMZJECCVIH-SECBINFHSA-N -1 3 359.797 3.188 20 0 FGADHM O=C(N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1)c1csc(=O)[n-]1 ZINC000375972567 499572970 /nfs/dbraw/zinc/57/29/70/499572970.db2.gz FPZFIKMXKIGTHN-VIFPVBQESA-N -1 3 358.250 3.164 20 0 FGADHM Cc1nc(C2([N-]S(=O)(=O)CC3CCCCC3)CCCCCC2)no1 ZINC000407983145 499573143 /nfs/dbraw/zinc/57/31/43/499573143.db2.gz NGMVXZQVUTXAAJ-UHFFFAOYSA-N -1 3 355.504 3.427 20 0 FGADHM COc1cccc2c1CCN(C(=O)c1ccc3c(c1[O-])OC(C)(C)C3)CC2 ZINC000408409753 499587205 /nfs/dbraw/zinc/58/72/05/499587205.db2.gz CNKGFWPFRYONOG-UHFFFAOYSA-N -1 3 367.445 3.355 20 0 FGADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CCC(C(=O)N2CCCCC2)CC1 ZINC000408410134 499587270 /nfs/dbraw/zinc/58/72/70/499587270.db2.gz JXCCHHOGCKRABS-UHFFFAOYSA-N -1 3 370.493 3.136 20 0 FGADHM COC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Br)c1 ZINC000576395171 506148341 /nfs/dbraw/zinc/14/83/41/506148341.db2.gz IICQVCRJIHOHAB-UHFFFAOYSA-N -1 3 370.224 3.037 20 0 FGADHM O=C(NCCCNC(=O)c1cccc(C2CCC2)c1)c1cccc([O-])c1 ZINC000409615458 499609286 /nfs/dbraw/zinc/60/92/86/499609286.db2.gz KJKHQWIZOISPOC-UHFFFAOYSA-N -1 3 352.434 3.210 20 0 FGADHM O=C(c1csc(=O)[n-]1)N1CC(Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000376908738 499645520 /nfs/dbraw/zinc/64/55/20/499645520.db2.gz RVLVLPHOQKWWPB-UHFFFAOYSA-N -1 3 358.341 3.062 20 0 FGADHM COc1cc(C(=O)Nc2cc(-c3ccnn3C)ccc2C)cc(OC)c1[O-] ZINC000410194355 499648065 /nfs/dbraw/zinc/64/80/65/499648065.db2.gz VTNOEYXXKRHQJL-UHFFFAOYSA-N -1 3 367.405 3.371 20 0 FGADHM CCOC(=O)c1nnsc1[N-]C(=O)[C@H](C)Oc1cc(C)ccc1Cl ZINC000410328909 499655017 /nfs/dbraw/zinc/65/50/17/499655017.db2.gz OZIJLZVICDBBPD-VIFPVBQESA-N -1 3 369.830 3.083 20 0 FGADHM CCOC(=O)c1nnsc1[N-]C(=O)[C@@H](C)Oc1cccc(C(C)C)c1 ZINC000410328107 499655121 /nfs/dbraw/zinc/65/51/21/499655121.db2.gz MUJGTCATPXOHNT-LLVKDONJSA-N -1 3 363.439 3.244 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@H](C)c2cn(C)c3ccccc23)c1-c1ccncc1 ZINC000377124262 499664312 /nfs/dbraw/zinc/66/43/12/499664312.db2.gz DOAHFAWTCPSBSL-CYBMUJFWSA-N -1 3 359.433 3.436 20 0 FGADHM CCC[C@@H](C)[C@@H](CO)NC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000573255501 506154504 /nfs/dbraw/zinc/15/45/04/506154504.db2.gz WXWLBIGUSKEBRF-SJKOYZFVSA-N -1 3 358.442 3.076 20 0 FGADHM COC(=O)CCSc1ncccc1[N-]C(=O)c1c(C)onc1C1CC1 ZINC000410696576 499674824 /nfs/dbraw/zinc/67/48/24/499674824.db2.gz XUFRVSPBGOPBRJ-UHFFFAOYSA-N -1 3 361.423 3.163 20 0 FGADHM CCCCc1nc(C(=O)OCC)c(NC(=O)[C@@H]2CCCC[C@H]2OC)[n-]1 ZINC000410756798 499676995 /nfs/dbraw/zinc/67/69/95/499676995.db2.gz XOMMHAXMHDVYBZ-CHWSQXEVSA-N -1 3 351.447 3.073 20 0 FGADHM CCCCc1nc(NC(=O)[C@@H]2CCCC[C@H]2OC)c(C(=O)OCC)[n-]1 ZINC000410756798 499676997 /nfs/dbraw/zinc/67/69/97/499676997.db2.gz XOMMHAXMHDVYBZ-CHWSQXEVSA-N -1 3 351.447 3.073 20 0 FGADHM CC(C)c1ncsc1C(=O)N=c1nc(-c2ccccc2Cl)[n-]n1C ZINC000410878179 499683424 /nfs/dbraw/zinc/68/34/24/499683424.db2.gz WEVIEDRPZBPVBD-UHFFFAOYSA-N -1 3 361.858 3.390 20 0 FGADHM O=S(=O)(Cc1noc2ccccc21)[N-][C@H]1COc2cccc(Cl)c21 ZINC000377363054 499683449 /nfs/dbraw/zinc/68/34/49/499683449.db2.gz KFRNFYMLBWHNBV-LBPRGKRZSA-N -1 3 364.810 3.034 20 0 FGADHM O=c1nc(Cc2noc([C@H]3C[C@]34CCOC4)n2)[n-]c2scc(C3CC3)c21 ZINC000377453486 499691964 /nfs/dbraw/zinc/69/19/64/499691964.db2.gz VULNOKCGTNSSSP-ZMZPIMSZSA-N -1 3 370.434 3.142 20 0 FGADHM CCOc1cc(-c2noc([C@@H]3CN(C)C(=O)c4ccccc43)n2)ccc1[O-] ZINC000377469746 499693929 /nfs/dbraw/zinc/69/39/29/499693929.db2.gz ISLVQMMPLHOMPV-OAHLLOKOSA-N -1 3 365.389 3.058 20 0 FGADHM Cc1nc(C)c(CCC(=O)N2CCC[C@@H]2c2ccc(F)cc2F)c(=O)[n-]1 ZINC000411078032 499696126 /nfs/dbraw/zinc/69/61/26/499696126.db2.gz WSXDOXJIWPKSFU-QGZVFWFLSA-N -1 3 361.392 3.374 20 0 FGADHM CC(C)n1cnc(S(=O)(=O)[N-][C@H]2C[C@H](c3cccc(Cl)c3)C2)c1 ZINC000570388310 506156616 /nfs/dbraw/zinc/15/66/16/506156616.db2.gz FNAMDCDMYBXNHF-CTYIDZIISA-N -1 3 353.875 3.342 20 0 FGADHM C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)C(=O)[N-]c1nccn1-c1ccccc1 ZINC000411282763 499721261 /nfs/dbraw/zinc/72/12/61/499721261.db2.gz XZSFWQQJVNOPSX-HOCLYGCPSA-N -1 3 354.454 3.142 20 0 FGADHM O=C([N-]c1nc(-c2c(F)cccc2F)co1)c1nnc2ccccc2n1 ZINC000378024699 499755235 /nfs/dbraw/zinc/75/52/35/499755235.db2.gz JWOWBOSUBLLWTO-UHFFFAOYSA-N -1 3 353.288 3.210 20 0 FGADHM CC(C)(C)C[C@@H]1CCN(C(=O)C(=O)[N-]c2nccn2-c2ccccc2)C1 ZINC000411596061 499767335 /nfs/dbraw/zinc/76/73/35/499767335.db2.gz RUIFYMKJCHTTFF-HNNXBMFYSA-N -1 3 354.454 3.096 20 0 FGADHM Cc1nn(C)c(S(=O)(=O)[N-]c2c(F)cc(Cl)cc2F)c1C(F)F ZINC000414385751 499784446 /nfs/dbraw/zinc/78/44/46/499784446.db2.gz VDRUADAACRRJHP-UHFFFAOYSA-N -1 3 371.743 3.399 20 0 FGADHM CN(C)CCOc1ccc([N-]S(=O)(=O)c2ccccc2Cl)cc1F ZINC000414389795 499785411 /nfs/dbraw/zinc/78/54/11/499785411.db2.gz TUSCJTFJQYUYPW-UHFFFAOYSA-N -1 3 372.849 3.220 20 0 FGADHM CO[C@H](CS(=O)(=O)[N-]c1ccc(CN(C)C)cc1F)c1ccccc1 ZINC000414400580 499786783 /nfs/dbraw/zinc/78/67/83/499786783.db2.gz VASRBBVSOXCUJI-GOSISDBHSA-N -1 3 366.458 3.017 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(CN(C)C)c(C)c2)c(F)c1 ZINC000414460842 499795196 /nfs/dbraw/zinc/79/51/96/499795196.db2.gz DIEOHYLJYBJFSL-UHFFFAOYSA-N -1 3 352.431 3.005 20 0 FGADHM CCc1ccc(S(=O)(=O)[N-]c2ccc(OCCN(C)C)cc2F)s1 ZINC000414471203 499796567 /nfs/dbraw/zinc/79/65/67/499796567.db2.gz KPGLNYYCWJQHPE-UHFFFAOYSA-N -1 3 372.487 3.191 20 0 FGADHM CC(C)C(=O)c1ccc(S(=O)(=O)[N-][C@@H](C(C)C)C(F)(F)F)cc1 ZINC000414479254 499797738 /nfs/dbraw/zinc/79/77/38/499797738.db2.gz ROEHGBXHDYXLGZ-AWEZNQCLSA-N -1 3 351.390 3.391 20 0 FGADHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N(CC)C1CC(C)(C)C1 ZINC000411891012 499800725 /nfs/dbraw/zinc/80/07/25/499800725.db2.gz IUILJKIRGZWEFW-UHFFFAOYSA-N -1 3 366.483 3.209 20 0 FGADHM O=C([O-])c1cccc(CN2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)c1 ZINC000414641520 499816279 /nfs/dbraw/zinc/81/62/79/499816279.db2.gz UFRYZNIOSCOVQU-HNNXBMFYSA-N -1 3 366.339 3.452 20 0 FGADHM Cc1cc(C)c(CN[C@@H]2CCN([C@H](C(=O)[O-])c3ccccc3)C2=O)c(C)c1 ZINC000414670165 499819144 /nfs/dbraw/zinc/81/91/44/499819144.db2.gz ZCCVXUHJZIPMFQ-UXHICEINSA-N -1 3 366.461 3.128 20 0 FGADHM Cc1ccc(-c2nn(-c3ccccc3)cc2CN2CC[C@H](C(=O)[O-])C2)o1 ZINC000414678903 499820091 /nfs/dbraw/zinc/82/00/91/499820091.db2.gz JXTLIOIVHRDHNX-HNNXBMFYSA-N -1 3 351.406 3.347 20 0 FGADHM COC(=O)c1c2c(sc1[N-]C(=O)c1cnc(C(C)=O)s1)CCCC2 ZINC000414756601 499827247 /nfs/dbraw/zinc/82/72/47/499827247.db2.gz RDWYTFWUFSBZIJ-UHFFFAOYSA-N -1 3 364.448 3.325 20 0 FGADHM O=C(NC[C@@H]1CCCC[C@H]1C(F)(F)F)c1c[n-]c2ccncc2c1=O ZINC000412157720 499828881 /nfs/dbraw/zinc/82/88/81/499828881.db2.gz GYZYCMVKSBWHHS-GXFFZTMASA-N -1 3 353.344 3.022 20 0 FGADHM O=C(NC[C@@H]1CCC[C@H](C(F)(F)F)C1)c1c[n-]c2ccncc2c1=O ZINC000412168418 499829832 /nfs/dbraw/zinc/82/98/32/499829832.db2.gz HMZOSYWXWWWTMY-MNOVXSKESA-N -1 3 353.344 3.022 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)C2=CC[C@H](C)CC2)c1-c1ccc2c(c1)OCCO2 ZINC000412196695 499832730 /nfs/dbraw/zinc/83/27/30/499832730.db2.gz KSHNJAYCLTZWDI-LBPRGKRZSA-N -1 3 353.422 3.263 20 0 FGADHM Cc1c2cc(C)c(C)cc2sc1C(=O)Nc1[n-]nnc1C(=O)NC1CC1 ZINC000570418087 506163575 /nfs/dbraw/zinc/16/35/75/506163575.db2.gz FYPHIRFATSIDHD-UHFFFAOYSA-N -1 3 369.450 3.089 20 0 FGADHM Cc1c2cc(C)c(C)cc2sc1C(=O)Nc1nn[n-]c1C(=O)NC1CC1 ZINC000570418087 506163578 /nfs/dbraw/zinc/16/35/78/506163578.db2.gz FYPHIRFATSIDHD-UHFFFAOYSA-N -1 3 369.450 3.089 20 0 FGADHM 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O=S(=O)([N-]c1ccccc1NC12CC3CC(CC(C3)C1)C2)C1COC1 ZINC000428247691 500486269 /nfs/dbraw/zinc/48/62/69/500486269.db2.gz UXNJLDAEAPTPLH-UHFFFAOYSA-N -1 3 362.495 3.208 20 0 FGADHM CO[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000420679958 500487516 /nfs/dbraw/zinc/48/75/16/500487516.db2.gz VNHBSGWTRSBSRG-MNOVXSKESA-N -1 3 369.817 3.177 20 0 FGADHM C[C@@H](O)CC(C)(C)C[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000420688249 500488065 /nfs/dbraw/zinc/48/80/65/500488065.db2.gz LZRCPTDHMYDCEJ-SECBINFHSA-N -1 3 371.833 3.017 20 0 FGADHM CCC(O)(CC)CC[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000420714862 500490689 /nfs/dbraw/zinc/49/06/89/500490689.db2.gz BAAJHPVQXCAUAF-UHFFFAOYSA-N -1 3 371.833 3.161 20 0 FGADHM Cc1ccc(F)c(S(=O)(=O)[N-][C@H](c2ccccc2)C2(CO)CCC2)c1 ZINC000432266511 500490870 /nfs/dbraw/zinc/49/08/70/500490870.db2.gz GAFDJOWTPIGHRS-GOSISDBHSA-N -1 3 363.454 3.316 20 0 FGADHM CC[C@H]1C[C@@H]([N-]S(=O)(=O)c2sc(C)cc2Br)CCO1 ZINC000420718669 500491031 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/nfs/dbraw/zinc/57/70/72/500577072.db2.gz SJPLDSMVXMZZEO-UHFFFAOYSA-N -1 3 358.361 3.306 20 0 FGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1ncccc1Oc1ccccc1 ZINC000442261164 500577075 /nfs/dbraw/zinc/57/70/75/500577075.db2.gz SJPLDSMVXMZZEO-UHFFFAOYSA-N -1 3 358.361 3.306 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N(Cc2ccccc2F)C(C)C)c([O-])c1 ZINC000436955466 500578310 /nfs/dbraw/zinc/57/83/10/500578310.db2.gz GFEAUUPYYSTZDR-UHFFFAOYSA-N -1 3 372.440 3.397 20 0 FGADHM CCOC(=O)c1ccccc1S(=O)(=O)[N-]c1cc(OC)ccc1Cl ZINC000442318731 500581228 /nfs/dbraw/zinc/58/12/28/500581228.db2.gz AXNAMMUJFMXNQW-UHFFFAOYSA-N -1 3 369.826 3.326 20 0 FGADHM CC(=O)Nc1cccc(OCCNC(=O)c2ccc3c(c2[O-])CCCC3)c1 ZINC000436966010 500582136 /nfs/dbraw/zinc/58/21/36/500582136.db2.gz VHQOBRZUEPDXJU-UHFFFAOYSA-N -1 3 368.433 3.038 20 0 FGADHM Cc1cccc(N2CCC(NC(=O)c3ccc4c(c3[O-])CCCC4)CC2)n1 ZINC000436970019 500582882 /nfs/dbraw/zinc/58/28/82/500582882.db2.gz KIKKGRGJFWTQPI-UHFFFAOYSA-N -1 3 365.477 3.373 20 0 FGADHM CCCCOc1ccc(C(=O)N[C@@H](C)c2nnc3n2CCCCC3)c([O-])c1 ZINC000436969653 500582925 /nfs/dbraw/zinc/58/29/25/500582925.db2.gz AHTINEZKNQVWPZ-AWEZNQCLSA-N -1 3 372.469 3.380 20 0 FGADHM CC[C@@]1(C)CCN(C(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])C1 ZINC000436975595 500584381 /nfs/dbraw/zinc/58/43/81/500584381.db2.gz LLOFOGXBYRJLKX-IBGZPJMESA-N -1 3 357.410 3.203 20 0 FGADHM O=C(Nc1nnc(CC(F)(F)F)s1)c1ccc2c(c1[O-])CCCC2 ZINC000436975353 500584613 /nfs/dbraw/zinc/58/46/13/500584613.db2.gz JSQOISPIXAGXDV-UHFFFAOYSA-N -1 3 357.357 3.480 20 0 FGADHM CCOC(=O)CCCNC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436980757 500585179 /nfs/dbraw/zinc/58/51/79/500585179.db2.gz OYDHHBVWSZHLKH-UHFFFAOYSA-N -1 3 357.406 3.044 20 0 FGADHM O=C(Nc1n[nH]c(-c2ccncc2)n1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436981332 500586425 /nfs/dbraw/zinc/58/64/25/500586425.db2.gz QWVBRLGRJYEFFE-UHFFFAOYSA-N -1 3 371.400 3.415 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2C[C@H](C)C[C@@H](C)[C@H]2C)c1 ZINC000436984564 500586808 /nfs/dbraw/zinc/58/68/08/500586808.db2.gz CEXBROAXAOPBIN-JHJVBQTASA-N -1 3 371.437 3.448 20 0 FGADHM CCCCOc1ccc(C(=O)N2CCC[C@@H](C(=O)N3CCCC3)C2)c([O-])c1 ZINC000436985275 500586973 /nfs/dbraw/zinc/58/69/73/500586973.db2.gz OBOMNVFBCDQGEF-MRXNPFEDSA-N -1 3 374.481 3.046 20 0 FGADHM O=C(c1ccccc1[O-])N1CCN(C/C=C\c2ccc(F)cc2F)CC1 ZINC000436997948 500589726 /nfs/dbraw/zinc/58/97/26/500589726.db2.gz JJWBCWVADFOKDN-ARJAWSKDSA-N -1 3 358.388 3.142 20 0 FGADHM CC[C@@H](C)CS(=O)(=O)[N-][C@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC000442776221 500624727 /nfs/dbraw/zinc/62/47/27/500624727.db2.gz HATREOQZXBSAHN-VQIMIIECSA-N -1 3 374.506 3.202 20 0 FGADHM Cc1cc(S(=O)(=O)[N-][C@H]2CCOc3c(F)cccc32)c(F)cc1F ZINC000442789489 500625987 /nfs/dbraw/zinc/62/59/87/500625987.db2.gz HFPXVJFYYCRMKQ-AWEZNQCLSA-N -1 3 357.353 3.214 20 0 FGADHM Cc1ccccc1C[C@@H](C)[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000442810153 500628732 /nfs/dbraw/zinc/62/87/32/500628732.db2.gz MMOAEEDVTGYXML-GFCCVEGCSA-N -1 3 358.385 3.318 20 0 FGADHM Cc1cc(C)cc(OCC[N-]S(=O)(=O)c2cnccc2C(F)(F)F)c1 ZINC000442813278 500629180 /nfs/dbraw/zinc/62/91/80/500629180.db2.gz RPIZDQPABOCJBX-UHFFFAOYSA-N -1 3 374.384 3.075 20 0 FGADHM CC[C@H](NCC[N-]S(=O)(=O)c1ccc(F)cc1F)c1cccc(F)c1 ZINC000442870603 500636979 /nfs/dbraw/zinc/63/69/79/500636979.db2.gz GFUWXCNNRDGBKE-INIZCTEOSA-N -1 3 372.412 3.123 20 0 FGADHM CCNC(=O)Nc1cccc(NC(=O)c2c[n-]c3ccccc3c2=O)c1C ZINC000447649740 500639398 /nfs/dbraw/zinc/63/93/98/500639398.db2.gz KAOHBLXAFTYWJU-UHFFFAOYSA-N -1 3 364.405 3.230 20 0 FGADHM CCNC(=O)Nc1cccc(NC(=O)c2cnc3ccccc3c2[O-])c1C ZINC000447649740 500639400 /nfs/dbraw/zinc/63/94/00/500639400.db2.gz KAOHBLXAFTYWJU-UHFFFAOYSA-N -1 3 364.405 3.230 20 0 FGADHM CO[C@@H]1CCN(C(=O)c2ccc(C(=O)c3cccc([O-])c3)cc2)[C@H](C)C1 ZINC000442898998 500644046 /nfs/dbraw/zinc/64/40/46/500644046.db2.gz MKFHKTMBMGBFPY-AUUYWEPGSA-N -1 3 353.418 3.263 20 0 FGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]C[C@@H](C)c1ccc(F)cc1 ZINC000442912629 500645788 /nfs/dbraw/zinc/64/57/88/500645788.db2.gz NIKISAQSNQDJEA-SNVBAGLBSA-N -1 3 371.455 3.064 20 0 FGADHM CC[C@@H](CC1CCCCC1)C(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000437472988 500648351 /nfs/dbraw/zinc/64/83/51/500648351.db2.gz KWYYQQWIALULHD-HNNXBMFYSA-N -1 3 372.556 3.139 20 0 FGADHM CC(C)C[C@H]1C[C@H](C(=O)Nc2ccc(OC(F)(F)F)cc2[O-])CC(=O)N1 ZINC000442931352 500649145 /nfs/dbraw/zinc/64/91/45/500649145.db2.gz GMOADSPMQZQMPS-QWRGUYRKSA-N -1 3 374.359 3.170 20 0 FGADHM COc1cc(C(=O)N2CCN(CC3CCCCC3)CC2)cc(Cl)c1[O-] ZINC000442931700 500649200 /nfs/dbraw/zinc/64/92/00/500649200.db2.gz ARWWWZAFJVDUQD-UHFFFAOYSA-N -1 3 366.889 3.392 20 0 FGADHM COc1cc(C(=O)NCCc2nc3ccccc3n2C(F)F)ccc1[O-] ZINC000442976322 500657099 /nfs/dbraw/zinc/65/70/99/500657099.db2.gz SZWAMDRONSCCDB-UHFFFAOYSA-N -1 3 361.348 3.118 20 0 FGADHM COCCCN(CCc1ccc(OC)cc1)C(=O)c1ccc([O-])c(OC)c1 ZINC000442985309 500659252 /nfs/dbraw/zinc/65/92/52/500659252.db2.gz WAGDVCFRMGSUGC-UHFFFAOYSA-N -1 3 373.449 3.131 20 0 FGADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]C[C@@H]1CC1(C)C ZINC000443083498 500676973 /nfs/dbraw/zinc/67/69/73/500676973.db2.gz VXSNHRFOVZSOLY-JTQLQIEISA-N -1 3 353.465 3.012 20 0 FGADHM O=S(=O)([N-]CCc1ccc2[nH]ccc2c1)c1cccc(Cl)c1F ZINC000443084848 500677338 /nfs/dbraw/zinc/67/73/38/500677338.db2.gz IOYXBYQHQUGFLX-UHFFFAOYSA-N -1 3 352.818 3.481 20 0 FGADHM O=C(c1ccc2c(c1)C(=O)[N-]C2=O)N1CCCC[C@H]1c1ccc(F)cc1F ZINC000433345089 500677576 /nfs/dbraw/zinc/67/75/76/500677576.db2.gz VMFHDLUTMCOZJW-KRWDZBQOSA-N -1 3 370.355 3.216 20 0 FGADHM COc1ccc(C2(NC(=O)c3cc(F)cc4nn[n-]c43)CCCC2)cc1 ZINC000433357843 500679946 /nfs/dbraw/zinc/67/99/46/500679946.db2.gz ZNQTVLGEHTVWNB-UHFFFAOYSA-N -1 3 354.385 3.305 20 0 FGADHM COc1ccc(C2(NC(=O)c3cc(F)cc4[n-]nnc43)CCCC2)cc1 ZINC000433357843 500679947 /nfs/dbraw/zinc/67/99/47/500679947.db2.gz ZNQTVLGEHTVWNB-UHFFFAOYSA-N -1 3 354.385 3.305 20 0 FGADHM COc1ccc(C2(NC(=O)c3cc(F)cc4n[n-]nc43)CCCC2)cc1 ZINC000433357843 500679950 /nfs/dbraw/zinc/67/99/50/500679950.db2.gz ZNQTVLGEHTVWNB-UHFFFAOYSA-N -1 3 354.385 3.305 20 0 FGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@H]2CCCC(F)(F)C2)cc1OC ZINC000447871727 500682181 /nfs/dbraw/zinc/68/21/81/500682181.db2.gz BCDPPZABQPABFV-VIFPVBQESA-N -1 3 369.817 3.213 20 0 FGADHM O=S(=O)([N-]C[C@H]1CCSC1)c1cc(Br)ccc1Cl ZINC000447935540 500692655 /nfs/dbraw/zinc/69/26/55/500692655.db2.gz HUKCCRNIRHHGAG-MRVPVSSYSA-N -1 3 370.721 3.134 20 0 FGADHM O=S(=O)([N-][C@H]1CCc2c1cccc2O)c1ccc(Br)s1 ZINC000443212214 500697551 /nfs/dbraw/zinc/69/75/51/500697551.db2.gz MXYJDBJCFQJYFQ-JTQLQIEISA-N -1 3 374.281 3.182 20 0 FGADHM CC(C)CC[C@](C)(O)C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000443241020 500700732 /nfs/dbraw/zinc/70/07/32/500700732.db2.gz SPSLQKSDYCGQDB-AWEZNQCLSA-N -1 3 371.396 3.310 20 0 FGADHM CC(C)(C)c1ccc(S(=O)(=O)[N-][C@H](CO)c2ccc(F)cc2)s1 ZINC000443265979 500701792 /nfs/dbraw/zinc/70/17/92/500701792.db2.gz QZOQOQQLVSUKJV-CYBMUJFWSA-N -1 3 357.472 3.197 20 0 FGADHM CCn1ncc2cc(C(=O)N=c3cc(-c4cc(C)cc(C)c4)[n-][nH]3)c(C)nc21 ZINC000443272555 500702647 /nfs/dbraw/zinc/70/26/47/500702647.db2.gz KKEXPMCPYGRWOM-UHFFFAOYSA-N -1 3 374.448 3.441 20 0 FGADHM CC[C@@H](C)C[C@@H](C)NC(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000437846236 500705772 /nfs/dbraw/zinc/70/57/72/500705772.db2.gz XDNLSUPHVAEZMP-CHWSQXEVSA-N -1 3 371.503 3.403 20 0 FGADHM CC[C@H](C[C@H](C)CO)[N-]S(=O)(=O)c1ccc(-c2csc(C)n2)s1 ZINC000443314830 500708466 /nfs/dbraw/zinc/70/84/66/500708466.db2.gz RRDVEOXNLVIJAE-CMPLNLGQSA-N -1 3 374.553 3.255 20 0 FGADHM CC[C@H](C[C@@H](C)CO)[N-]S(=O)(=O)c1ccc(-c2csc(C)n2)s1 ZINC000443314838 500708581 /nfs/dbraw/zinc/70/85/81/500708581.db2.gz RRDVEOXNLVIJAE-ZYHUDNBSSA-N -1 3 374.553 3.255 20 0 FGADHM COc1cc(C(=O)N2CC[C@@H](OCCCc3ccccc3)C2)ccc1[O-] ZINC000443325565 500710510 /nfs/dbraw/zinc/71/05/10/500710510.db2.gz XRXWMJBABJEDEC-GOSISDBHSA-N -1 3 355.434 3.265 20 0 FGADHM CCC(=O)c1cccc([N-]S(=O)(=O)CCOc2ccc(OC)cc2)c1 ZINC000433603179 500719275 /nfs/dbraw/zinc/71/92/75/500719275.db2.gz HVPIVBZGMXLFSH-UHFFFAOYSA-N -1 3 363.435 3.109 20 0 FGADHM CC(C)[C@@H](C(=O)OC(C)(C)C)N1CC[C@@H]([N-]c2nc3ccccc3o2)C1=O ZINC000443506055 500731505 /nfs/dbraw/zinc/73/15/05/500731505.db2.gz BRIUCWJLOLUFBM-ZBFHGGJFSA-N -1 3 373.453 3.207 20 0 FGADHM COC(=O)CCC(C)(C)[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000433740542 500735226 /nfs/dbraw/zinc/73/52/26/500735226.db2.gz REJHTDDAYHDENL-UHFFFAOYSA-N -1 3 354.255 3.004 20 0 FGADHM COc1ccc(NC(=O)c2ccc(I)cc2)c([O-])c1 ZINC000443556185 500737749 /nfs/dbraw/zinc/73/77/49/500737749.db2.gz DXBPCILGIVJPAT-UHFFFAOYSA-N -1 3 369.158 3.258 20 0 FGADHM CCCC[C@@H](COC)[N-]S(=O)(=O)c1cc(C)c(Br)s1 ZINC000433829248 500751425 /nfs/dbraw/zinc/75/14/25/500751425.db2.gz QQPUTKHMTVPANT-JTQLQIEISA-N -1 3 370.334 3.303 20 0 FGADHM C[C@H](C[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1)N(C)C1CC1 ZINC000433843695 500753789 /nfs/dbraw/zinc/75/37/89/500753789.db2.gz VMVDXTRMNGMONA-SNVBAGLBSA-N -1 3 358.916 3.316 20 0 FGADHM CCc1noc(CC)c1C[N-]S(=O)(=O)c1cc(Cl)c(OC)cc1C ZINC000433859324 500756394 /nfs/dbraw/zinc/75/63/94/500756394.db2.gz NWTONDQBEQVVDI-UHFFFAOYSA-N -1 3 372.874 3.248 20 0 FGADHM O=S(=O)([N-]CCOc1ccccc1Cl)c1cc(F)c(F)c(F)c1 ZINC000443757650 500761903 /nfs/dbraw/zinc/76/19/03/500761903.db2.gz ZTDZOZCBAFUWNK-UHFFFAOYSA-N -1 3 365.760 3.115 20 0 FGADHM COc1ccc2c(c1)[n-]cc(C(=O)N1CC3(CCCC3)OC(C)(C)C1)c2=O ZINC000443790055 500763834 /nfs/dbraw/zinc/76/38/34/500763834.db2.gz MRHOUVQQTMGUQF-UHFFFAOYSA-N -1 3 370.449 3.101 20 0 FGADHM Cc1nn2c(nc(C)cc2C)c1C(=O)N=c1cc(-c2ccccc2F)o[n-]1 ZINC000448492845 500765200 /nfs/dbraw/zinc/76/52/00/500765200.db2.gz PWHARNKMVHLBER-UHFFFAOYSA-N -1 3 365.368 3.123 20 0 FGADHM CN(C)c1nc(C(=O)N(Cc2ccco2)c2ccc(Cl)cc2)cc(=O)[n-]1 ZINC000433980943 500775349 /nfs/dbraw/zinc/77/53/49/500775349.db2.gz KQOFGPPJPZQYLZ-UHFFFAOYSA-N -1 3 372.812 3.342 20 0 FGADHM CC[C@H](C)[C@@H]([N-]S(=O)(=O)c1cc(C(=O)OC)ccc1C)C(F)(F)F ZINC000443934958 500780456 /nfs/dbraw/zinc/78/04/56/500780456.db2.gz FWZKKHYWYFAEPF-TVQRCGJNSA-N -1 3 367.389 3.037 20 0 FGADHM CC[C@H](C)[C@@H]([N-]S(=O)(=O)c1cc(OC)c(OC)cc1C)C(F)(F)F ZINC000443949686 500782651 /nfs/dbraw/zinc/78/26/51/500782651.db2.gz XRUWTWADEYDIQN-LKFCYVNXSA-N -1 3 369.405 3.268 20 0 FGADHM C[C@@]1(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2F)CCCC[C@@H]1O ZINC000444072069 500799135 /nfs/dbraw/zinc/79/91/35/500799135.db2.gz NMIFLTWRQOYEEP-KBPBESRZSA-N -1 3 369.380 3.064 20 0 FGADHM CC[C@@H]1CO[C@H](C)CN1C(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000444092144 500801908 /nfs/dbraw/zinc/80/19/08/500801908.db2.gz CCBSUSQPLXSQSQ-RDTXWAMCSA-N -1 3 353.418 3.263 20 0 FGADHM CC(C)[C@H](O)C(C)(C)C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC000444212272 500818026 /nfs/dbraw/zinc/81/80/26/500818026.db2.gz MQDLCWKBIUYENI-ZDUSSCGKSA-N -1 3 371.396 3.166 20 0 FGADHM C[C@@H]1CCCN(Cc2ccc(NC(=O)C(=O)c3ccc([O-])cc3)cc2)C1 ZINC000438764611 500818025 /nfs/dbraw/zinc/81/80/25/500818025.db2.gz GDQAHHOEVDHTCD-OAHLLOKOSA-N -1 3 352.434 3.446 20 0 FGADHM COC(=O)c1nscc1S(=O)(=O)[N-][C@H]1CCC[C@H](C(C)(C)C)CC1 ZINC000444212714 500818403 /nfs/dbraw/zinc/81/84/03/500818403.db2.gz ALSVMTJYPOBJBL-RYUDHWBXSA-N -1 3 374.528 3.203 20 0 FGADHM CC(C)OC(=O)[C@H](C)N(C)C(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000444232093 500821521 /nfs/dbraw/zinc/82/15/21/500821521.db2.gz NBKJKJPGSYZJST-AWEZNQCLSA-N -1 3 369.417 3.035 20 0 FGADHM COC(=O)CC1CCN(C(=O)CCc2ccc3ccccc3c2[O-])CC1 ZINC000448768157 500828501 /nfs/dbraw/zinc/82/85/01/500828501.db2.gz AZWYGRGVBBJURD-UHFFFAOYSA-N -1 3 355.434 3.280 20 0 FGADHM C[C@H]1CCN(C(=O)c2c[n-]c3c(OC(F)(F)F)cccc3c2=O)[C@H]1C ZINC000444284894 500828823 /nfs/dbraw/zinc/82/88/23/500828823.db2.gz VHTKDELFAOSNBT-UWVGGRQHSA-N -1 3 354.328 3.297 20 0 FGADHM CCOC(=O)C[C@@H](NC(=O)Cc1ccc([O-])c(F)c1)c1ccc(F)cc1 ZINC000448806758 500839880 /nfs/dbraw/zinc/83/98/80/500839880.db2.gz UZMUMYNZGSOVIA-MRXNPFEDSA-N -1 3 363.360 3.024 20 0 FGADHM CN(C(=O)C[N-]S(=O)(=O)c1ccc(C(C)(C)C)s1)C1CCCCC1 ZINC000438955704 500840047 /nfs/dbraw/zinc/84/00/47/500840047.db2.gz MSVSQMGYYSIBJI-UHFFFAOYSA-N -1 3 372.556 3.115 20 0 FGADHM CCOc1cc(C(=O)NC[C@H]2CCCCN2C2CC2)cc(Cl)c1[O-] ZINC000434424035 500840806 /nfs/dbraw/zinc/84/08/06/500840806.db2.gz YDJYJPYEJDHKLY-CQSZACIVSA-N -1 3 352.862 3.191 20 0 FGADHM O=C(c1cc(=O)c2ccccc2[n-]1)N(CCc1ccccc1)[C@@H]1CCOC1 ZINC000439057728 500851668 /nfs/dbraw/zinc/85/16/68/500851668.db2.gz RNURQUZRBDFDJY-QGZVFWFLSA-N -1 3 362.429 3.002 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]Cc2nc(-c3cccs3)c[nH]2)c(F)cc1F ZINC000439193602 500868756 /nfs/dbraw/zinc/86/87/56/500868756.db2.gz RZPDEWJGDMRUBM-UHFFFAOYSA-N -1 3 369.418 3.203 20 0 FGADHM Cc1ccc([O-])c(CN2CCN(C(=O)c3cc4ccccc4s3)CC2)n1 ZINC000435035516 500924728 /nfs/dbraw/zinc/92/47/28/500924728.db2.gz ICJXFLWWOVUUKW-UHFFFAOYSA-N -1 3 367.474 3.268 20 0 FGADHM CCCc1cc(=O)[n-]c(C(=Cc2ccc(OCC(=O)OC)cc2)CC)n1 ZINC000435334364 500956844 /nfs/dbraw/zinc/95/68/44/500956844.db2.gz AANTYPBJIDLLLA-PTNGSMBKSA-N -1 3 356.422 3.225 20 0 FGADHM O=C(Cc1noc(-c2cc(CCc3ccccc3)ccc2[O-])n1)NC1CC1 ZINC000445363952 500977622 /nfs/dbraw/zinc/97/76/22/500977622.db2.gz HXLYTNNKZLOUQO-UHFFFAOYSA-N -1 3 363.417 3.049 20 0 FGADHM CCOc1cc(-c2noc(-c3cc(Cn4cc(C)cn4)on3)n2)ccc1[O-] ZINC000445427224 500984084 /nfs/dbraw/zinc/98/40/84/500984084.db2.gz NSODQQQXCSRGGP-UHFFFAOYSA-N -1 3 367.365 3.049 20 0 FGADHM CC[C@@](C)([N-]S(=O)(=O)c1c(Cl)ccc2ccccc21)C(=O)OC ZINC000440410013 501006331 /nfs/dbraw/zinc/00/63/31/501006331.db2.gz BUBYKXSEMDMHCL-MRXNPFEDSA-N -1 3 355.843 3.113 20 0 FGADHM O=C(N=c1cc(-c2ccccc2)[n-][nH]1)[C@@H](c1ccccc1)N1CCCCC1=O ZINC000435678037 501009911 /nfs/dbraw/zinc/00/99/11/501009911.db2.gz LMRNZFUEPBQFKE-OAQYLSRUSA-N -1 3 374.444 3.191 20 0 FGADHM O=C(N=c1cc(-c2ccccc2)[n-][nH]1)c1ncccc1OCC(F)(F)F ZINC000435678690 501010172 /nfs/dbraw/zinc/01/01/72/501010172.db2.gz RJLVPXQKCUEPNE-UHFFFAOYSA-N -1 3 362.311 3.087 20 0 FGADHM CO[C@H](c1ccc(Br)cc1)[C@H](C)[N-]S(=O)(=O)c1ccco1 ZINC000445710231 501022751 /nfs/dbraw/zinc/02/27/51/501022751.db2.gz UBUQJNMGEDMINW-HZMBPMFUSA-N -1 3 374.256 3.097 20 0 FGADHM CCc1ncc(S(=O)(=O)[N-]Cc2ccccc2N(C)C(C)C)s1 ZINC000445741230 501027156 /nfs/dbraw/zinc/02/71/56/501027156.db2.gz JKUGZAVAUFCRFU-UHFFFAOYSA-N -1 3 353.513 3.029 20 0 FGADHM CC[C@@H](C[N-]S(=O)(=O)c1ccco1)Oc1ccccc1C(F)(F)F ZINC000445746401 501027607 /nfs/dbraw/zinc/02/76/07/501027607.db2.gz ZTIJQOJDJMNEAB-NSHDSACASA-N -1 3 363.357 3.434 20 0 FGADHM COc1ccc(OC)c([N-]C(=O)c2nc(COc3cccc(F)c3)no2)c1 ZINC000435993030 501054892 /nfs/dbraw/zinc/05/48/92/501054892.db2.gz HZVQSZLTQUMKAR-UHFFFAOYSA-N -1 3 373.340 3.057 20 0 FGADHM O=c1[nH]c(CC(F)(F)F)c([O-])n1-c1ccc(OCc2ccncc2)cc1 ZINC000445958199 501055068 /nfs/dbraw/zinc/05/50/68/501055068.db2.gz UZWWRGYQRIJMAC-CQSZACIVSA-N -1 3 365.311 3.038 20 0 FGADHM C[C@@H]1C[C@]2(CCO1)CN(C(=O)CCCc1ccc([O-])c(F)c1)C[C@@H](C)O2 ZINC000435994392 501055311 /nfs/dbraw/zinc/05/53/11/501055311.db2.gz LIMSUOHCEYRXRD-STXHMFSFSA-N -1 3 365.445 3.039 20 0 FGADHM Cc1ccc([O-])c(C(=O)Nc2ccc(Cl)c(CN3CCOCC3)c2)c1 ZINC000436035937 501060959 /nfs/dbraw/zinc/06/09/59/501060959.db2.gz RFMKLRFIZWRBKQ-UHFFFAOYSA-N -1 3 360.841 3.439 20 0 FGADHM COC[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)c1ccc(F)cc1 ZINC000436194928 501087467 /nfs/dbraw/zinc/08/74/67/501087467.db2.gz FKPCUDACILWSKQ-AWEZNQCLSA-N -1 3 361.797 3.284 20 0 FGADHM CCOC(=O)c1csc(=NC[C@@H]2CCCN(C)[C@H]2c2cccs2)[n-]1 ZINC000450349279 501097204 /nfs/dbraw/zinc/09/72/04/501097204.db2.gz NWMCLLBLFFRBGL-SWLSCSKDSA-N -1 3 365.524 3.298 20 0 FGADHM COC(=O)C12CCC(C(=O)Nc3n[n-]c(-c4ccccc4F)n3)(CC1)CC2 ZINC000449839660 501103568 /nfs/dbraw/zinc/10/35/68/501103568.db2.gz CLKVTELFUIJUMR-UHFFFAOYSA-N -1 3 372.400 3.063 20 0 FGADHM CCOC(=O)c1csc(=NC[C@@H](C)Cc2ccc(OC)c(OC)c2)[n-]1 ZINC000450412708 501115109 /nfs/dbraw/zinc/11/51/09/501115109.db2.gz QMJFQBSYJWMRQO-LBPRGKRZSA-N -1 3 364.467 3.050 20 0 FGADHM Cc1cc(F)ccc1N1CCC[C@H](NC(=O)Cc2ccc([O-])c(F)c2)C1 ZINC000449884823 501117020 /nfs/dbraw/zinc/11/70/20/501117020.db2.gz QIEXTCGZXKIKQX-INIZCTEOSA-N -1 3 360.404 3.307 20 0 FGADHM CC(C)n1c(CCNC(=O)Cc2ccc([O-])c(F)c2)nc2ccccc21 ZINC000449898705 501120754 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Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N[C@H]3CCC[C@@H]3C)cs2)c1 ZINC000436495599 501139343 /nfs/dbraw/zinc/13/93/43/501139343.db2.gz NWNIEVVLSIRQDG-WFASDCNBSA-N -1 3 373.478 3.257 20 0 FGADHM CC(C)[C@H]1CCCC[C@H]1NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436528322 501148456 /nfs/dbraw/zinc/14/84/56/501148456.db2.gz NUMNHQRCRRNMAR-SJLPKXTDSA-N -1 3 373.497 3.074 20 0 FGADHM CCC1(CNC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)CCCCC1 ZINC000436539129 501151251 /nfs/dbraw/zinc/15/12/51/501151251.db2.gz XYVBFFLUIIYWCF-UHFFFAOYSA-N -1 3 373.497 3.220 20 0 FGADHM CC[C@H](NC(=O)c1cc2c(cc1[O-])CCCC2)c1nnc2n1CCCCC2 ZINC000436545080 501152804 /nfs/dbraw/zinc/15/28/04/501152804.db2.gz QLBLOITVOBWKEZ-KRWDZBQOSA-N -1 3 368.481 3.470 20 0 FGADHM CCCN(C[C@@H]1COc2ccccc2O1)C(=O)c1ccc(OC)cc1[O-] ZINC000436553165 501155375 /nfs/dbraw/zinc/15/53/75/501155375.db2.gz DQMFUICWVLCTDW-OAHLLOKOSA-N -1 3 357.406 3.093 20 0 FGADHM O=C(Nc1ccc(CCN2CCOCC2)cc1)c1cc(Cl)ccc1[O-] ZINC000436555018 501155996 /nfs/dbraw/zinc/15/59/96/501155996.db2.gz HTEQIGFPSNGOME-UHFFFAOYSA-N -1 3 360.841 3.173 20 0 FGADHM Cc1oc2ncn(C)c(=O)c2c1C(=O)[N-]c1cc(Cl)cc(F)c1F ZINC000441595867 501157561 /nfs/dbraw/zinc/15/75/61/501157561.db2.gz WWPOZMOIYUFOJN-UHFFFAOYSA-N -1 3 353.712 3.019 20 0 FGADHM Cc1ccc([O-])c(C(=O)N2CSC[C@@H]2C(=O)N[C@@H](C)CCC(C)C)c1 ZINC000436565198 501157903 /nfs/dbraw/zinc/15/79/03/501157903.db2.gz SQEKKMZGTSGRCQ-GOEBONIOSA-N -1 3 364.511 3.157 20 0 FGADHM Cc1noc(CCCNC(=O)c2cc(Oc3ccccc3)ccc2[O-])n1 ZINC000436563017 501158244 /nfs/dbraw/zinc/15/82/44/501158244.db2.gz LZVLQYAIFTUOGJ-UHFFFAOYSA-N -1 3 353.378 3.239 20 0 FGADHM Cc1ccc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(F)cc2)c([O-])c1C ZINC000436569275 501159615 /nfs/dbraw/zinc/15/96/15/501159615.db2.gz BZKCMKBFKIHXTK-MRXNPFEDSA-N -1 3 374.437 3.302 20 0 FGADHM CC(C)CCNC(=O)[C@@H]1CSCN1C(=O)c1ccc(C(C)C)cc1[O-] ZINC000436569366 501159761 /nfs/dbraw/zinc/15/97/61/501159761.db2.gz CYPTVKBYXNHRDO-INIZCTEOSA-N -1 3 364.511 3.193 20 0 FGADHM C[C@@H](CO[C@H]1CCOC1)NC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436586216 501164061 /nfs/dbraw/zinc/16/40/61/501164061.db2.gz SAGWBCFCIYIKSB-YOEHRIQHSA-N -1 3 357.406 3.108 20 0 FGADHM CCc1cnc(N2CCN(C(=O)c3ccc(C(C)C)cc3[O-])CC2)s1 ZINC000436592646 501164904 /nfs/dbraw/zinc/16/49/04/501164904.db2.gz XEDNYRSROWHLLM-UHFFFAOYSA-N -1 3 359.495 3.497 20 0 FGADHM Cc1ccc(C(=O)Nc2ccc3nc(N4CCOCC4)oc3c2)c([O-])c1C ZINC000436602057 501167774 /nfs/dbraw/zinc/16/77/74/501167774.db2.gz JPHSHVGCSIXVGS-UHFFFAOYSA-N -1 3 367.405 3.239 20 0 FGADHM COC(=O)C[C@@H](NC(=O)c1ccccc1[O-])c1ccc(Cl)c(F)c1 ZINC000436604764 501168653 /nfs/dbraw/zinc/16/86/53/501168653.db2.gz OLEWEPDBYRLPJR-CQSZACIVSA-N -1 3 351.761 3.219 20 0 FGADHM O=c1cnc2ccccc2n1Cc1nc(-c2ccc([O-])c3ccccc23)no1 ZINC000436609422 501169026 /nfs/dbraw/zinc/16/90/26/501169026.db2.gz LEYKVCAHKXGHPN-UHFFFAOYSA-N -1 3 370.368 3.354 20 0 FGADHM O=C(NCCCc1nc(-c2ccc([O-])c3ccccc23)no1)c1cccnc1 ZINC000436614588 501169752 /nfs/dbraw/zinc/16/97/52/501169752.db2.gz ZLIWDMTVYZCNII-UHFFFAOYSA-N -1 3 374.400 3.353 20 0 FGADHM CCc1ccc(C(=O)N2CC[C@H](C(=O)N(C)c3ccccc3)C2)c([O-])c1 ZINC000436614719 501170218 /nfs/dbraw/zinc/17/02/18/501170218.db2.gz APGMRFIOVAQXPY-INIZCTEOSA-N -1 3 352.434 3.080 20 0 FGADHM CC(C)(C)C(=O)NCCNC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436620711 501170905 /nfs/dbraw/zinc/17/09/05/501170905.db2.gz BSDUGXBFQQDBPH-UHFFFAOYSA-N -1 3 368.477 3.070 20 0 FGADHM C[C@@H](CNC(=O)c1ccc(O)cc1[O-])Oc1cccc(Br)c1 ZINC000436618469 501171290 /nfs/dbraw/zinc/17/12/90/501171290.db2.gz LRHMXJNZUXSQKZ-JTQLQIEISA-N -1 3 366.211 3.058 20 0 FGADHM CC(C)(COc1ncc(Cl)cc1Cl)NC(=O)c1ccc(O)cc1[O-] ZINC000436635459 501174510 /nfs/dbraw/zinc/17/45/10/501174510.db2.gz NVDTXPNLCRUHFW-UHFFFAOYSA-N -1 3 371.220 3.387 20 0 FGADHM CCS[C@H]1CCCC[C@H]1NC(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC000436640072 501176484 /nfs/dbraw/zinc/17/64/84/501176484.db2.gz SZTZNUGKCIGFLG-WBVHZDCISA-N -1 3 364.511 3.001 20 0 FGADHM C[C@H]1C[C@H](NC(=O)c2cc(Cl)cc(Br)c2[O-])CN1C1CC1 ZINC000436640977 501176503 /nfs/dbraw/zinc/17/65/03/501176503.db2.gz SFSKLDMAGTZWSW-WPRPVWTQSA-N -1 3 373.678 3.163 20 0 FGADHM O=C(Nc1cccc(N2C(=O)c3ccccc3C2=O)c1)c1c([O-])cccc1O ZINC000436650543 501178792 /nfs/dbraw/zinc/17/87/92/501178792.db2.gz WTYZTJHBOBHBPA-UHFFFAOYSA-N -1 3 374.352 3.151 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N[C@@H](C)c2ccc(Cl)cc2)c([O-])c1 ZINC000436663286 501182333 /nfs/dbraw/zinc/18/23/33/501182333.db2.gz FHUWIKRJFJXUTR-ZDUSSCGKSA-N -1 3 360.841 3.351 20 0 FGADHM COc1cccc(C(=O)Nc2nc3cc4c(cc3s2)OCCO4)c1[O-] ZINC000436673294 501185256 /nfs/dbraw/zinc/18/52/56/501185256.db2.gz DVKDPDDIAUZHHW-UHFFFAOYSA-N -1 3 358.375 3.034 20 0 FGADHM Cc1ccc(C(=O)Nc2ccc(C)c(N3C(=O)CCC3=O)c2)c([O-])c1C ZINC000436675637 501185803 /nfs/dbraw/zinc/18/58/03/501185803.db2.gz LTOHKKUDDWUTKR-UHFFFAOYSA-N -1 3 352.390 3.223 20 0 FGADHM CC(C)c1ccc(S(=O)(=O)[N-][C@@H](c2cnn(C)c2)C(F)(F)F)cc1 ZINC000446961504 501186936 /nfs/dbraw/zinc/18/69/36/501186936.db2.gz ZHFCGCHGKLXAAM-AWEZNQCLSA-N -1 3 361.389 3.125 20 0 FGADHM CC1(C)Cc2ccc(C(=O)NCc3ccccc3-n3ccnc3)c([O-])c2O1 ZINC000436683957 501187786 /nfs/dbraw/zinc/18/77/86/501187786.db2.gz XBYMSAKZNSEIPQ-UHFFFAOYSA-N -1 3 363.417 3.221 20 0 FGADHM O=C(N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1ccccc1[O-] ZINC000436683794 501188176 /nfs/dbraw/zinc/18/81/76/501188176.db2.gz VUYNTJPREZIYGS-OAHLLOKOSA-N -1 3 364.367 3.415 20 0 FGADHM CCc1ccccc1-c1noc(CCNC(=O)c2ccc(C)cc2[O-])n1 ZINC000436692709 501189396 /nfs/dbraw/zinc/18/93/96/501189396.db2.gz ZPQKIZLXEQDCMA-UHFFFAOYSA-N -1 3 351.406 3.286 20 0 FGADHM COc1cc(-c2nc(-c3cccc(-n4cccn4)c3)no2)cc(OC)c1[O-] ZINC000436690314 501189506 /nfs/dbraw/zinc/18/95/06/501189506.db2.gz QESFFTMHHNFGGU-UHFFFAOYSA-N -1 3 364.361 3.312 20 0 FGADHM CC(C)(CC(=O)Nc1ccc(-c2nnn[n-]2)cc1)CC(=O)c1ccccc1 ZINC000442006894 501190800 /nfs/dbraw/zinc/19/08/00/501190800.db2.gz CEALNCIARXOPNW-UHFFFAOYSA-N -1 3 363.421 3.495 20 0 FGADHM CC(C)(CC(=O)Nc1ccc(-c2nn[n-]n2)cc1)CC(=O)c1ccccc1 ZINC000442006894 501190803 /nfs/dbraw/zinc/19/08/03/501190803.db2.gz CEALNCIARXOPNW-UHFFFAOYSA-N -1 3 363.421 3.495 20 0 FGADHM COc1ccc(-c2nnc(NC(=O)c3cccc(OC)c3[O-])s2)cc1 ZINC000436706236 501193171 /nfs/dbraw/zinc/19/31/71/501193171.db2.gz LXVDGAJKHFHHQV-UHFFFAOYSA-N -1 3 357.391 3.180 20 0 FGADHM COc1cccc(C(=O)Nc2cc(-c3cc(F)cc(F)c3)nn2C)c1[O-] ZINC000436706918 501193379 /nfs/dbraw/zinc/19/33/79/501193379.db2.gz FBAVGAWCJFHCBX-UHFFFAOYSA-N -1 3 359.332 3.332 20 0 FGADHM CCO[C@@H]1C[C@@H](NC(=O)c2ccc([O-])c(CC)c2)[C@@H]1Oc1ccccc1 ZINC000436709808 501194111 /nfs/dbraw/zinc/19/41/11/501194111.db2.gz ZOZPVTFBVQNLMQ-RLLQIKCJSA-N -1 3 355.434 3.309 20 0 FGADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CCN2CCOc3cccc1c32 ZINC000436713509 501194619 /nfs/dbraw/zinc/19/46/19/501194619.db2.gz BUZVMFDLGJLTKZ-UHFFFAOYSA-N -1 3 350.418 3.130 20 0 FGADHM C[C@H](CNC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])c1ccc(F)cc1 ZINC000436722453 501197369 /nfs/dbraw/zinc/19/73/69/501197369.db2.gz NMRFXAMRTVUPOJ-RDTXWAMCSA-N -1 3 370.424 3.056 20 0 FGADHM COC(=O)c1c(C)nc(=O)[n-]c1SCc1ccc(Cl)c(OC)c1 ZINC000450741917 501198437 /nfs/dbraw/zinc/19/84/37/501198437.db2.gz YWYIBBHNXFSLMA-UHFFFAOYSA-N -1 3 354.815 3.232 20 0 FGADHM Cc1cc(F)ccc1CN(C)C(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436736477 501200519 /nfs/dbraw/zinc/20/05/19/501200519.db2.gz INSDSPBDUBRKQC-SFHVURJKSA-N -1 3 370.424 3.103 20 0 FGADHM CN(CC(=O)Nc1cccc(F)c1)C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436755148 501205042 /nfs/dbraw/zinc/20/50/42/501205042.db2.gz LVBFUBRRGUJCKA-UHFFFAOYSA-N -1 3 356.397 3.121 20 0 FGADHM COc1cc(C)cc(C(=O)Nc2ccc(Sc3nncn3C)cc2)c1[O-] ZINC000436758892 501205687 /nfs/dbraw/zinc/20/56/87/501205687.db2.gz ZAEINQKDMDGWHM-UHFFFAOYSA-N -1 3 370.434 3.241 20 0 FGADHM COc1cc(C)cc(C(=O)Nc2ccc(NC(=O)NC(C)C)cc2)c1[O-] ZINC000436756672 501205891 /nfs/dbraw/zinc/20/58/91/501205891.db2.gz SHTXOAZTXPGPJP-UHFFFAOYSA-N -1 3 357.410 3.491 20 0 FGADHM COc1ccc(-c2noc(CCc3nc(-c4ccc([O-])cc4)no3)n2)cc1 ZINC000436767169 501207586 /nfs/dbraw/zinc/20/75/86/501207586.db2.gz FWEOAEJCVAMDJG-UHFFFAOYSA-N -1 3 364.361 3.286 20 0 FGADHM O=C(NCc1nc(-c2ccc([O-])cc2)no1)c1cc2c(s1)CCCC2 ZINC000436769062 501208262 /nfs/dbraw/zinc/20/82/62/501208262.db2.gz MRDDRTYCRAWKCC-UHFFFAOYSA-N -1 3 355.419 3.313 20 0 FGADHM CC[C@@H](NC(=O)c1cc(NC(C)=O)ccc1[O-])c1ccc2c(c1)OCCO2 ZINC000436783395 501210987 /nfs/dbraw/zinc/21/09/87/501210987.db2.gz RRWJKAGVGTYFIH-MRXNPFEDSA-N -1 3 370.405 3.003 20 0 FGADHM COc1cc(-c2noc(-c3ccc(-n4nc(C)cc4C)nc3)n2)ccc1[O-] ZINC000436786993 501211408 /nfs/dbraw/zinc/21/14/08/501211408.db2.gz GHWNFSGRSYLKAW-UHFFFAOYSA-N -1 3 363.377 3.315 20 0 FGADHM Cc1ccc(C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2C)c([O-])c1C ZINC000436793967 501212719 /nfs/dbraw/zinc/21/27/19/501212719.db2.gz UDFUGSIWONQETM-UHFFFAOYSA-N -1 3 374.462 3.010 20 0 FGADHM COc1ccc2c(c1)CCC[C@H]2CNC(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000436801685 501213414 /nfs/dbraw/zinc/21/34/14/501213414.db2.gz DOHGUNCGWTVGSV-AWEZNQCLSA-N -1 3 371.433 3.268 20 0 FGADHM CC[C@@H](CNC(=O)c1cc(OC)c([O-])c(OC)c1)Oc1ccccc1C ZINC000436810500 501214847 /nfs/dbraw/zinc/21/48/47/501214847.db2.gz RZNDESIBITUHHL-HNNXBMFYSA-N -1 3 359.422 3.305 20 0 FGADHM CC[C@@H](CNC(=O)c1cc(OC)c([O-])c(OC)c1)Oc1cccc(F)c1 ZINC000436815176 501215695 /nfs/dbraw/zinc/21/56/95/501215695.db2.gz VADFSCZJBLOFGJ-AWEZNQCLSA-N -1 3 363.385 3.136 20 0 FGADHM CCc1ccc(C(=O)Nc2cnn(-c3cnc4ccccc4n3)c2)c([O-])c1 ZINC000436831573 501218285 /nfs/dbraw/zinc/21/82/85/501218285.db2.gz QMWXALCJMPELIQ-UHFFFAOYSA-N -1 3 359.389 3.336 20 0 FGADHM COCC[C@H]1COCCN1C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436832782 501218444 /nfs/dbraw/zinc/21/84/44/501218444.db2.gz KIRJPLWDJZQJHS-IBGZPJMESA-N -1 3 369.461 3.055 20 0 FGADHM CCOC(=O)c1sc([C@@H](C)NC(=O)c2ccc(CC)cc2[O-])nc1C ZINC000436833683 501218553 /nfs/dbraw/zinc/21/85/53/501218553.db2.gz WWJBUTWJHHHQOW-LLVKDONJSA-N -1 3 362.451 3.387 20 0 FGADHM CCc1ccc(C(=O)Nc2ccc(OCc3nc(C)no3)cc2)c([O-])c1 ZINC000436834615 501219132 /nfs/dbraw/zinc/21/91/32/501219132.db2.gz PWKMXNGIDLTKDI-UHFFFAOYSA-N -1 3 353.378 3.477 20 0 FGADHM Cc1cccc([C@@H]2CCN(C(=O)CCNC(=O)c3ccc(C)cc3[O-])C2)c1 ZINC000436842243 501219913 /nfs/dbraw/zinc/21/99/13/501219913.db2.gz CLGGEXGLYMYGFM-GOSISDBHSA-N -1 3 366.461 3.145 20 0 FGADHM CN(C)Cc1ccc(NC(=O)c2c([O-])cccc2O)cc1Br ZINC000436854787 501221718 /nfs/dbraw/zinc/22/17/18/501221718.db2.gz GJWFAXADKSKZPD-UHFFFAOYSA-N -1 3 365.227 3.174 20 0 FGADHM CCN(CC)[C@H](CNC(=O)c1ccc(C(C)=O)c([O-])c1)c1ccccc1 ZINC000436854446 501221951 /nfs/dbraw/zinc/22/19/51/501221951.db2.gz UZELPUGMKCYAFO-LJQANCHMSA-N -1 3 354.450 3.408 20 0 FGADHM O=C1CCc2ccc(OCCCc3nc(-c4ccc([O-])cc4)no3)cc2N1 ZINC000436869284 501224387 /nfs/dbraw/zinc/22/43/87/501224387.db2.gz KGYIJWDFBWTCJX-UHFFFAOYSA-N -1 3 365.389 3.339 20 0 FGADHM COCCOc1cc(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)ccn1 ZINC000436873582 501225130 /nfs/dbraw/zinc/22/51/30/501225130.db2.gz QJNWAXVSPJPALV-UHFFFAOYSA-N -1 3 356.300 3.084 20 0 FGADHM O=C(N[C@@H](Cc1nnc[nH]1)c1ccccc1)c1cc2ccccc2cc1[O-] ZINC000436882090 501226619 /nfs/dbraw/zinc/22/66/19/501226619.db2.gz PZWAMCNUEYUSKK-SFHVURJKSA-N -1 3 358.401 3.377 20 0 FGADHM O=C(N[C@@H](Cc1nc[nH]n1)c1ccccc1)c1cc2ccccc2cc1[O-] ZINC000436882090 501226621 /nfs/dbraw/zinc/22/66/21/501226621.db2.gz PZWAMCNUEYUSKK-SFHVURJKSA-N -1 3 358.401 3.377 20 0 FGADHM CCn1cc(CN(CCO)C(=O)c2cc(C(C)C)cc(C(C)C)c2[O-])cn1 ZINC000436886893 501226989 /nfs/dbraw/zinc/22/69/89/501226989.db2.gz MNIODGHRIXMDJZ-UHFFFAOYSA-N -1 3 373.497 3.490 20 0 FGADHM COCC(=O)Nc1ccc(-c2noc(-c3cc(C)cc(OC)c3[O-])n2)cc1 ZINC000436886248 501227241 /nfs/dbraw/zinc/22/72/41/501227241.db2.gz GMDHEAALFKMMKR-UHFFFAOYSA-N -1 3 369.377 3.011 20 0 FGADHM CCOc1cc(-c2nc3cc4c(cc3[nH]2)n(C)c(=O)n4C)cc(Cl)c1[O-] ZINC000436891224 501228579 /nfs/dbraw/zinc/22/85/79/501228579.db2.gz FGDSEZDBLIZBNY-UHFFFAOYSA-N -1 3 372.812 3.178 20 0 FGADHM COc1ccc(CN=c2[n-]c(C(C)=O)c(C)s2)cc1Br ZINC000450302749 501229380 /nfs/dbraw/zinc/22/93/80/501229380.db2.gz LBVPNDKRFJVUFL-UHFFFAOYSA-N -1 3 355.257 3.459 20 0 FGADHM Cc1ccc([O-])c(-c2nc(-c3cccc(S(=O)(=O)NC(C)C)c3)no2)c1 ZINC000436900583 501229671 /nfs/dbraw/zinc/22/96/71/501229671.db2.gz CTHWJCWCHWYUSJ-UHFFFAOYSA-N -1 3 373.434 3.104 20 0 FGADHM C/C=C\C[C@@H](NC(=O)CCc1ccc2ccccc2c1[O-])C(=O)OCC ZINC000450919655 501229927 /nfs/dbraw/zinc/22/99/27/501229927.db2.gz ZDHGBNVDMDOCKF-LKIHTYOGSA-N -1 3 355.434 3.492 20 0 FGADHM Cc1ccc(C(=O)N[C@H]2CCCN(c3ccccc3Cl)C2=O)c([O-])c1 ZINC000436920247 501233379 /nfs/dbraw/zinc/23/33/79/501233379.db2.gz OQJQZYNKRBHRJR-HNNXBMFYSA-N -1 3 358.825 3.279 20 0 FGADHM CO[C@H](C)CS(=O)(=O)[N-]c1ccc(-c2cn3cccc(C)c3n2)cc1 ZINC000450965575 501235548 /nfs/dbraw/zinc/23/55/48/501235548.db2.gz FOHREDYKVJKZLM-CQSZACIVSA-N -1 3 359.451 3.086 20 0 FGADHM CCCc1c([N-]S(=O)(=O)CCCCF)cnn1-c1ccc(F)cc1 ZINC000451037389 501241083 /nfs/dbraw/zinc/24/10/83/501241083.db2.gz OQUHDUYOZCEYNR-UHFFFAOYSA-N -1 3 357.426 3.455 20 0 FGADHM CO[C@@H](C)CS(=O)(=O)[N-]c1cc(Cl)cc(C)c1Br ZINC000451086456 501244514 /nfs/dbraw/zinc/24/45/14/501244514.db2.gz MMMMNZBJAMPQEC-QMMMGPOBSA-N -1 3 356.669 3.188 20 0 FGADHM CCOc1ccc(Cl)c([N-]S(=O)(=O)c2ccc3c(c2)CCO3)c1 ZINC000451094970 501245289 /nfs/dbraw/zinc/24/52/89/501245289.db2.gz QZWYHDJJDHLYQR-UHFFFAOYSA-N -1 3 353.827 3.474 20 0 FGADHM Cc1csc(S(=O)(=O)[N-][C@H]2CCN([C@H](C)c3ccccc3)C2)c1 ZINC000451106346 501246087 /nfs/dbraw/zinc/24/60/87/501246087.db2.gz OGHYULQXBNUXGG-ZBFHGGJFSA-N -1 3 350.509 3.170 20 0 FGADHM CCc1ccc([N-]S(=O)(=O)Cc2cc(C(C)(C)C)on2)cc1OC ZINC000451108268 501246303 /nfs/dbraw/zinc/24/63/03/501246303.db2.gz RZLNCQCPHAXHCM-UHFFFAOYSA-N -1 3 352.456 3.485 20 0 FGADHM CCSCc1ccc([N-]S(=O)(=O)CCOCC(F)(F)F)cc1 ZINC000451109265 501246552 /nfs/dbraw/zinc/24/65/52/501246552.db2.gz VNIMYIHRLYCPRB-UHFFFAOYSA-N -1 3 357.419 3.260 20 0 FGADHM CCO[C@H]1C[C@@](O)(CNC(=O)CCc2ccc3ccccc3c2[O-])C1(C)C ZINC000451115133 501246652 /nfs/dbraw/zinc/24/66/52/501246652.db2.gz NJHUETVBCRLIJK-PGRDOPGGSA-N -1 3 371.477 3.160 20 0 FGADHM CC(C)(C)C(=O)CCCC(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000451126771 501247269 /nfs/dbraw/zinc/24/72/69/501247269.db2.gz SAUZUHPKTVLPCY-UHFFFAOYSA-N -1 3 366.259 3.243 20 0 FGADHM Cc1csc(S(=O)(=O)[N-]C2(c3ccc(F)cc3)CCOCC2)c1 ZINC000451216168 501252909 /nfs/dbraw/zinc/25/29/09/501252909.db2.gz KRGFBRPUXWKFKY-UHFFFAOYSA-N -1 3 355.456 3.180 20 0 FGADHM O=C(Cc1ccc([O-])c(F)c1)N1CCC[C@H](c2nc(C(F)(F)F)c[nH]2)C1 ZINC000451220546 501253231 /nfs/dbraw/zinc/25/32/31/501253231.db2.gz RRVHPIGBROGLQF-NSHDSACASA-N -1 3 371.334 3.222 20 0 FGADHM Cc1csc(S(=O)(=O)[N-]CCc2nc3ccccc3n2C(F)F)c1 ZINC000451289356 501257759 /nfs/dbraw/zinc/25/77/59/501257759.db2.gz VMXIUXYMOSJCIN-UHFFFAOYSA-N -1 3 371.434 3.322 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)CCC1CCCC1)c1nc(Cc2ccccc2)no1 ZINC000451293540 501258500 /nfs/dbraw/zinc/25/85/00/501258500.db2.gz WAIVMKGNRYKPKG-CQSZACIVSA-N -1 3 363.483 3.221 20 0 FGADHM Cc1csc(S(=O)(=O)[N-][C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)c1 ZINC000451293554 501258686 /nfs/dbraw/zinc/25/86/86/501258686.db2.gz WCUQMEFXXCVVOQ-RDJZCZTQSA-N -1 3 364.536 3.388 20 0 FGADHM CC(C)Oc1ccc(C(=O)NCc2nnc(C(F)(F)F)[n-]2)c(Cl)c1 ZINC000457715546 501293441 /nfs/dbraw/zinc/29/34/41/501293441.db2.gz AGQZBPTUOQRRJI-UHFFFAOYSA-N -1 3 362.739 3.194 20 0 FGADHM CC(C)Oc1ccc(C(=O)NCc2n[n-]c(C(F)(F)F)n2)c(Cl)c1 ZINC000457715546 501293442 /nfs/dbraw/zinc/29/34/42/501293442.db2.gz AGQZBPTUOQRRJI-UHFFFAOYSA-N -1 3 362.739 3.194 20 0 FGADHM CC(C)Oc1ccc(C(=O)NCc2nc(C(F)(F)F)n[n-]2)c(Cl)c1 ZINC000457715546 501293443 /nfs/dbraw/zinc/29/34/43/501293443.db2.gz AGQZBPTUOQRRJI-UHFFFAOYSA-N -1 3 362.739 3.194 20 0 FGADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)[C@@]3(C)CCC[C@H]3C)c2)[n-]1 ZINC000451493986 501305958 /nfs/dbraw/zinc/30/59/58/501305958.db2.gz QRGAFUCDUOEXQG-XCLFUZPHSA-N -1 3 370.453 3.091 20 0 FGADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)[C@@]3(C)CCC[C@H]3C)c2)n[n-]1 ZINC000451493986 501305960 /nfs/dbraw/zinc/30/59/60/501305960.db2.gz QRGAFUCDUOEXQG-XCLFUZPHSA-N -1 3 370.453 3.091 20 0 FGADHM Cc1csc(S(=O)(=O)[N-][C@@H](CN(C)C)c2ccc(Cl)cc2)c1 ZINC000451515495 501310347 /nfs/dbraw/zinc/31/03/47/501310347.db2.gz GIVVMVSJZDJFSA-AWEZNQCLSA-N -1 3 358.916 3.291 20 0 FGADHM Cc1cc(F)c(Br)cc1S(=O)(=O)[N-]CCC(C)(F)F ZINC000451615176 501337048 /nfs/dbraw/zinc/33/70/48/501337048.db2.gz USYYMPSSONAHDP-UHFFFAOYSA-N -1 3 360.195 3.220 20 0 FGADHM O=C(Cc1ccc([O-])c(F)c1)N1CC[C@](F)(c2cc(F)cc(F)c2)C1 ZINC000451557170 501323454 /nfs/dbraw/zinc/32/34/54/501323454.db2.gz BJLWESZRMJMIIK-GOSISDBHSA-N -1 3 353.315 3.449 20 0 FGADHM Cc1csc(S(=O)(=O)[N-][C@@H](c2ccccc2)C2(CO)CCC2)c1 ZINC000451577787 501329210 /nfs/dbraw/zinc/32/92/10/501329210.db2.gz BNKGSNFJIBESPV-INIZCTEOSA-N -1 3 351.493 3.239 20 0 FGADHM CCOC(=O)[C@@H]1CCCC[C@@H]1NCc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000451588090 501331236 /nfs/dbraw/zinc/33/12/36/501331236.db2.gz DHKQLGIYTLEJGA-OCCSQVGLSA-N -1 3 369.421 3.293 20 0 FGADHM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]CCC(C)(F)F ZINC000451609409 501335982 /nfs/dbraw/zinc/33/59/82/501335982.db2.gz DKZGDRHABXLANR-JTQLQIEISA-N -1 3 371.833 3.077 20 0 FGADHM CC1(F)CC([N-]S(=O)(=O)c2cc(Cl)ccc2Br)C1 ZINC000451630603 501340408 /nfs/dbraw/zinc/34/04/08/501340408.db2.gz HLSXVYZBUACXJD-UHFFFAOYSA-N -1 3 356.644 3.271 20 0 FGADHM O=S(=O)([N-]C[C@@H]1CCCCC1(F)F)c1cnn(-c2ccccc2F)c1 ZINC000451637895 501341771 /nfs/dbraw/zinc/34/17/71/501341771.db2.gz CJRJMCVIKDBTRU-LBPRGKRZSA-N -1 3 373.400 3.115 20 0 FGADHM CC[C@@H](C)[C@@H](C[N-]S(=O)(=O)c1sc(C)cc1Br)OC ZINC000451676617 501348946 /nfs/dbraw/zinc/34/89/46/501348946.db2.gz FDJOKGOVEOUYGA-LDYMZIIASA-N -1 3 370.334 3.158 20 0 FGADHM C[C@@H](CCCCO)[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000451719365 501359623 /nfs/dbraw/zinc/35/96/23/501359623.db2.gz IZKFPLVWNDVBCB-VIFPVBQESA-N -1 3 359.797 3.188 20 0 FGADHM CC(C)Oc1ccc([C@H](CNC(=O)Cc2ccc([O-])c(F)c2)N(C)C)cc1 ZINC000451773312 501369465 /nfs/dbraw/zinc/36/94/65/501369465.db2.gz XMJXLCCEZORREA-IBGZPJMESA-N -1 3 374.456 3.280 20 0 FGADHM Cc1cccnc1CCC[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000451812310 501377648 /nfs/dbraw/zinc/37/76/48/501377648.db2.gz SROZHNZNHWXDDB-UHFFFAOYSA-N -1 3 364.414 3.381 20 0 FGADHM CN(C)CCN(Cc1ccsc1)C(=O)c1cc(F)c(F)c([O-])c1F ZINC000458232931 501399491 /nfs/dbraw/zinc/39/94/91/501399491.db2.gz XOBQXDACSJAGTF-UHFFFAOYSA-N -1 3 358.385 3.075 20 0 FGADHM CCc1ncc(C[N-]S(=O)(=O)c2cc(C(C)C)c(OC)cc2C)o1 ZINC000451960705 501408867 /nfs/dbraw/zinc/40/88/67/501408867.db2.gz QUJFBULEOBOJQQ-UHFFFAOYSA-N -1 3 352.456 3.156 20 0 FGADHM CSc1nc(C)c(CCC(=O)Nc2ccc(CN(C)C)c(C)c2)c(=O)[n-]1 ZINC000458289467 501412942 /nfs/dbraw/zinc/41/29/42/501412942.db2.gz QZOGBBFJLKPYNB-UHFFFAOYSA-N -1 3 374.510 3.154 20 0 FGADHM CCc1cc(C(=O)N[C@@H](C)Cc2c(OC)cc(OC)cc2OC)ccc1[O-] ZINC000456104940 501455952 /nfs/dbraw/zinc/45/59/52/501455952.db2.gz KGGAPXLSQWHKLC-ZDUSSCGKSA-N -1 3 373.449 3.341 20 0 FGADHM O=C(c1c[n-]c2c(Cl)cc(Br)cc2c1=O)N1CC[C@@H](F)C1 ZINC000452353882 501483918 /nfs/dbraw/zinc/48/39/18/501483918.db2.gz KIOOGKICMOIWEP-MRVPVSSYSA-N -1 3 373.609 3.128 20 0 FGADHM O=C(c1cnc2c(Cl)cc(Br)cc2c1[O-])N1CC[C@@H](F)C1 ZINC000452353882 501483920 /nfs/dbraw/zinc/48/39/20/501483920.db2.gz KIOOGKICMOIWEP-MRVPVSSYSA-N -1 3 373.609 3.128 20 0 FGADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)N[C@H]1CCCC[C@H]1CC(F)(F)F ZINC000458658873 501501247 /nfs/dbraw/zinc/50/12/47/501501247.db2.gz OEZDXIOWKPOLOJ-YUMQZZPRSA-N -1 3 373.301 3.134 20 0 FGADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)N[C@H]1CCCC[C@H]1CC(F)(F)F ZINC000458658873 501501250 /nfs/dbraw/zinc/50/12/50/501501250.db2.gz OEZDXIOWKPOLOJ-YUMQZZPRSA-N -1 3 373.301 3.134 20 0 FGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N[C@H]1CCCC[C@H]1CC(F)(F)F ZINC000458658873 501501251 /nfs/dbraw/zinc/50/12/51/501501251.db2.gz OEZDXIOWKPOLOJ-YUMQZZPRSA-N -1 3 373.301 3.134 20 0 FGADHM C[C@@]12CN(C(=O)Cc3ccc(Br)cc3[O-])C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000452589334 501528501 /nfs/dbraw/zinc/52/85/01/501528501.db2.gz ITXOMJXQXOHYJN-CWYPUQQXSA-N -1 3 362.267 3.368 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H]2CCCN(C)c3ccccc32)c1 ZINC000456616567 501559227 /nfs/dbraw/zinc/55/92/27/501559227.db2.gz XXIGFHHIUNPAHH-KRWDZBQOSA-N -1 3 353.422 3.052 20 0 FGADHM Cc1cc(F)ccc1[C@@H]1CCCN1C(=O)c1cnc2c(cnn2C)c1[O-] ZINC000456839520 501608263 /nfs/dbraw/zinc/60/82/63/501608263.db2.gz JXOWMRRMVMOBHJ-INIZCTEOSA-N -1 3 354.385 3.099 20 0 FGADHM CN(C(=O)c1cc([O-])ccc1Cl)C1CCN(CC(F)(F)F)CC1 ZINC000456936548 501622510 /nfs/dbraw/zinc/62/25/10/501622510.db2.gz NSMUGAQDBFIHHA-UHFFFAOYSA-N -1 3 350.768 3.144 20 0 FGADHM COC(=O)[C@H]1CN(C(=O)c2cc([O-])ccc2Cl)C[C@H]1c1ccccc1 ZINC000456948086 501624489 /nfs/dbraw/zinc/62/44/89/501624489.db2.gz MNGHEINLDWQPJK-HOTGVXAUSA-N -1 3 359.809 3.074 20 0 FGADHM COc1ccccc1CN(Cc1cc(=O)[n-]c(C2CC2)n1)C[C@H]1CCCO1 ZINC000459291264 501625711 /nfs/dbraw/zinc/62/57/11/501625711.db2.gz DCXGIYIFTJBGSL-GOSISDBHSA-N -1 3 369.465 3.249 20 0 FGADHM CCOc1cc(CN2CCN(c3ccc(O)cc3)CC2)cc(Cl)c1[O-] ZINC000459290162 501625716 /nfs/dbraw/zinc/62/57/16/501625716.db2.gz HLJWQZKHEYKRIU-UHFFFAOYSA-N -1 3 362.857 3.472 20 0 FGADHM COc1ccc(OC)c([C@@H]2CCCN2Cc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000459295935 501626498 /nfs/dbraw/zinc/62/64/98/501626498.db2.gz DQDMSOPDMOGRCF-KRWDZBQOSA-N -1 3 355.438 3.414 20 0 FGADHM CCOc1cc(CN2CCC(O[C@H]3CCOC3)CC2)cc(Cl)c1[O-] ZINC000459337321 501633987 /nfs/dbraw/zinc/63/39/87/501633987.db2.gz JIZRRWZKOIHTLA-HNNXBMFYSA-N -1 3 355.862 3.214 20 0 FGADHM CC(C)OC(=O)C[C@H]1CCCN(Cc2cc(=O)[n-]c(-c3ccccc3)n2)C1 ZINC000459409291 501648393 /nfs/dbraw/zinc/64/83/93/501648393.db2.gz YMWMLAKMOZUBJF-MRXNPFEDSA-N -1 3 369.465 3.403 20 0 FGADHM CC[S@](=O)[C@@H]1CCC[C@H](NCc2cccc([O-])c2Br)C1 ZINC000459425070 501652089 /nfs/dbraw/zinc/65/20/89/501652089.db2.gz LMRCJJYXFZIMLS-RDXCRGQUSA-N -1 3 360.317 3.324 20 0 FGADHM C[C@H](NCc1cccc([O-])c1Br)[C@H](O)Cc1ccccc1 ZINC000459443688 501655179 /nfs/dbraw/zinc/65/51/79/501655179.db2.gz FAXWFROGGVLWPS-BLLLJJGKSA-N -1 3 350.256 3.236 20 0 FGADHM C[C@H]1C[C@@H]1c1ccc(C[N-]S(=O)(=O)c2ccc3c(c2)C(=O)CCC3)o1 ZINC000582516121 506266234 /nfs/dbraw/zinc/26/62/34/506266234.db2.gz XZDHXILURBOJSS-LRDDRELGSA-N -1 3 359.447 3.401 20 0 FGADHM CCOC(=O)[C@H]1CCCN1Cc1cc(Br)c([O-])c(OCC)c1 ZINC000459488139 501662845 /nfs/dbraw/zinc/66/28/45/501662845.db2.gz YSBBNDUJKHXYKE-CYBMUJFWSA-N -1 3 372.259 3.081 20 0 FGADHM CCOc1cc(CN2CCO[C@@H](COCC3CC3)C2)cc(Cl)c1[O-] ZINC000459496337 501664029 /nfs/dbraw/zinc/66/40/29/501664029.db2.gz GUTUCTZLVWBQGP-OAHLLOKOSA-N -1 3 355.862 3.072 20 0 FGADHM C[C@@H]1CN(Cc2cccc([O-])c2Br)C[C@]2(CCO[C@H](C)C2)O1 ZINC000459524080 501669794 /nfs/dbraw/zinc/66/97/94/501669794.db2.gz YVNYVBWPHPJMOQ-PBFPGSCMSA-N -1 3 370.287 3.313 20 0 FGADHM CNC(=O)CC[C@@H]1CCCCN1Cc1cccc([O-])c1Br ZINC000459553004 501675594 /nfs/dbraw/zinc/67/55/94/501675594.db2.gz XFOLMRSYLCELBQ-ZDUSSCGKSA-N -1 3 355.276 3.035 20 0 FGADHM COc1ccc(CN2CC3(CCC3)[C@@H]3COC[C@H]32)c(Br)c1[O-] ZINC000459667465 501695883 /nfs/dbraw/zinc/69/58/83/501695883.db2.gz CPUYBWDKDMENIT-CHWSQXEVSA-N -1 3 368.271 3.164 20 0 FGADHM Cn1[n-]c(=NC(=O)N2CC[C@@H](c3cccc(Cl)c3)C2)cc1OC(F)F ZINC000455220462 501710428 /nfs/dbraw/zinc/71/04/28/501710428.db2.gz YRDONTDNQVGWDA-LLVKDONJSA-N -1 3 370.787 3.118 20 0 FGADHM Cc1csc([C@H](C)NC(=O)Cc2ccc(Br)cc2[O-])n1 ZINC000477610567 501737186 /nfs/dbraw/zinc/73/71/86/501737186.db2.gz JGEORMSQJWAJAA-VIFPVBQESA-N -1 3 355.257 3.340 20 0 FGADHM Cc1ccc2[n-]cc(C(=O)Nc3ccc4c(c3)NC(=O)CS4)c(=O)c2c1 ZINC000477666126 501753395 /nfs/dbraw/zinc/75/33/95/501753395.db2.gz LVPQBJKAGHYEPS-UHFFFAOYSA-N -1 3 365.414 3.133 20 0 FGADHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N(C)[C@@H]1CCC(C)(C)C1 ZINC000485255450 501771020 /nfs/dbraw/zinc/77/10/20/501771020.db2.gz QZLUSNZPEHYMQT-GFCCVEGCSA-N -1 3 366.483 3.209 20 0 FGADHM Cn1c(CNC(=O)NCc2ccc([O-])c(F)c2)nc2cccc(Cl)c21 ZINC000477739792 501774158 /nfs/dbraw/zinc/77/41/58/501774158.db2.gz BCOHQCRZGMUDPX-UHFFFAOYSA-N -1 3 362.792 3.071 20 0 FGADHM Cc1ncccc1CNc1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000485289541 501778013 /nfs/dbraw/zinc/77/80/13/501778013.db2.gz KEOZIBURGRHTIL-UHFFFAOYSA-N -1 3 351.447 3.218 20 0 FGADHM O=S(=O)(Cc1cccc2cccnc21)[N-][C@H]1COc2ccc(Cl)cc21 ZINC000474296742 501780010 /nfs/dbraw/zinc/78/00/10/501780010.db2.gz JGRPPOXQSNCSBV-INIZCTEOSA-N -1 3 374.849 3.441 20 0 FGADHM CCC1(CC)Oc2ccc(NC(=O)CNC(=O)c3cccc([O-])c3)cc2O1 ZINC000470731879 501784976 /nfs/dbraw/zinc/78/49/76/501784976.db2.gz HMFJJKWERXVZLW-UHFFFAOYSA-N -1 3 370.405 3.048 20 0 FGADHM Cc1noc(-c2ccccc2)c1NC(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000481484967 501788161 /nfs/dbraw/zinc/78/81/61/501788161.db2.gz XNZRXPUXSKUJHL-UHFFFAOYSA-N -1 3 366.303 3.109 20 0 FGADHM Cc1noc(-c2ccccc2)c1NC(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000481484967 501788167 /nfs/dbraw/zinc/78/81/67/501788167.db2.gz XNZRXPUXSKUJHL-UHFFFAOYSA-N -1 3 366.303 3.109 20 0 FGADHM Cc1noc(-c2ccccc2)c1NC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000481484967 501788174 /nfs/dbraw/zinc/78/81/74/501788174.db2.gz XNZRXPUXSKUJHL-UHFFFAOYSA-N -1 3 366.303 3.109 20 0 FGADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H](CO)CCC(C)(C)C ZINC000481494282 501790878 /nfs/dbraw/zinc/79/08/78/501790878.db2.gz RQTNPHWIOUVGAV-CYBMUJFWSA-N -1 3 357.447 3.346 20 0 FGADHM Cc1cc(=NC(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)[n-]nc1C ZINC000467469868 501802483 /nfs/dbraw/zinc/80/24/83/501802483.db2.gz PTBZGLHGQCXZHB-MRXNPFEDSA-N -1 3 373.526 3.172 20 0 FGADHM O=C(CCc1cccc(C(F)(F)F)c1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000463730421 501804359 /nfs/dbraw/zinc/80/43/59/501804359.db2.gz VLOPJBQMPUZWNX-UHFFFAOYSA-N -1 3 361.327 3.457 20 0 FGADHM O=C(CCc1cccc(C(F)(F)F)c1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000463730421 501804362 /nfs/dbraw/zinc/80/43/62/501804362.db2.gz VLOPJBQMPUZWNX-UHFFFAOYSA-N -1 3 361.327 3.457 20 0 FGADHM CCC1(CC)CCC([N-]S(=O)(=O)c2ccccc2S(C)(=O)=O)CC1 ZINC000474387506 501817244 /nfs/dbraw/zinc/81/72/44/501817244.db2.gz BOEDSORFCVPBMG-UHFFFAOYSA-N -1 3 373.540 3.117 20 0 FGADHM CCN=c1[n-]c(C(=O)N[C@@H](C)[C@@H](OC)c2ccccc2Cl)cs1 ZINC000485427696 501818913 /nfs/dbraw/zinc/81/89/13/501818913.db2.gz DFTDVJRUXLYDKO-IINYFYTJSA-N -1 3 353.875 3.156 20 0 FGADHM CN(C)[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1Cl)c1ccco1 ZINC000485439935 501820814 /nfs/dbraw/zinc/82/08/14/501820814.db2.gz MBXABCUQSQYJTP-GFCCVEGCSA-N -1 3 363.266 3.168 20 0 FGADHM Cc1c(Cl)cc(S(=O)(=O)[N-]CCOC(F)(F)F)cc1Cl ZINC000474398784 501822124 /nfs/dbraw/zinc/82/21/24/501822124.db2.gz WXGRSAAFSIMULK-UHFFFAOYSA-N -1 3 352.161 3.117 20 0 FGADHM Cc1noc2ncc([N-]S(=O)(=O)N3CCC4(CCCCC4)CC3)cc12 ZINC000481594415 501825711 /nfs/dbraw/zinc/82/57/11/501825711.db2.gz SDEKSSDUQXKLIA-UHFFFAOYSA-N -1 3 364.471 3.234 20 0 FGADHM CC(C)c1nn(C)c2sc(C(=O)N=c3ccn(-c4ccncc4)[n-]3)cc12 ZINC000463821079 501830607 /nfs/dbraw/zinc/83/06/07/501830607.db2.gz WWLMWNVGXTWECC-UHFFFAOYSA-N -1 3 366.450 3.013 20 0 FGADHM CCOC(=O)c1c(C(C)C)csc1[N-]C(=O)C(=O)N1C[C@@H](C)[C@H](C)C1 ZINC000467675904 501842864 /nfs/dbraw/zinc/84/28/64/501842864.db2.gz KQIWOEYSDBEQGZ-VXGBXAGGSA-N -1 3 366.483 3.101 20 0 FGADHM COc1nc(C)c(Br)cc1C(=O)Nc1ccc([O-])cc1F ZINC000485525273 501846865 /nfs/dbraw/zinc/84/68/65/501846865.db2.gz ZGEFBZIISJIMJC-UHFFFAOYSA-N -1 3 355.163 3.258 20 0 FGADHM O=C(N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1)c1ccc(C(F)(F)F)nc1 ZINC000467709218 501849610 /nfs/dbraw/zinc/84/96/10/501849610.db2.gz RJOGCOJIQOZUFT-UHFFFAOYSA-N -1 3 368.265 3.443 20 0 FGADHM O=C(CCC(=O)c1ccccc1)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1 ZINC000467715073 501852318 /nfs/dbraw/zinc/85/23/18/501852318.db2.gz LHACHYYNMFTXJN-UHFFFAOYSA-N -1 3 355.344 3.378 20 0 FGADHM CC(C)(C)CC[C@@H](CO)NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000474536836 501869800 /nfs/dbraw/zinc/86/98/00/501869800.db2.gz GAUSLEYXEPRHAF-LBPRGKRZSA-N -1 3 373.291 3.141 20 0 FGADHM COC(=O)c1cc(F)cc([N-]C(=O)c2cccnc2C(F)(F)F)c1F ZINC000478089886 501877947 /nfs/dbraw/zinc/87/79/47/501877947.db2.gz WLYSNCMOPNCSDY-UHFFFAOYSA-N -1 3 360.238 3.418 20 0 FGADHM O=C(Cc1noc2ccccc12)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1 ZINC000467803632 501878761 /nfs/dbraw/zinc/87/87/61/501878761.db2.gz SFELYNKZKNWDQM-UHFFFAOYSA-N -1 3 354.316 3.099 20 0 FGADHM CCOc1ccccc1CN(C)C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000485679469 501898592 /nfs/dbraw/zinc/89/85/92/501898592.db2.gz BHLTVQHFUGCKLB-UHFFFAOYSA-N -1 3 372.371 3.477 20 0 FGADHM CCCCc1nc(C(=O)OCC)c(NC(=O)c2ccnc(OC(C)C)c2)[n-]1 ZINC000485704666 501907749 /nfs/dbraw/zinc/90/77/49/501907749.db2.gz YKMBRYZEFYRONU-UHFFFAOYSA-N -1 3 374.441 3.364 20 0 FGADHM CCCCc1nc(NC(=O)c2ccnc(OC(C)C)c2)c(C(=O)OCC)[n-]1 ZINC000485704666 501907752 /nfs/dbraw/zinc/90/77/52/501907752.db2.gz YKMBRYZEFYRONU-UHFFFAOYSA-N -1 3 374.441 3.364 20 0 FGADHM CSc1cnn(-c2ccccc2)c1NC(=O)NCc1ncccc1[O-] ZINC000467963293 501915071 /nfs/dbraw/zinc/91/50/71/501915071.db2.gz LNUUNZYPGUWMOA-UHFFFAOYSA-N -1 3 355.423 3.017 20 0 FGADHM O=C(C[N-]S(=O)(=O)Cc1cccc2cccnc21)c1ccccc1Cl ZINC000464196346 501919193 /nfs/dbraw/zinc/91/91/93/501919193.db2.gz SPJNGLBYEJWAEA-UHFFFAOYSA-N -1 3 374.849 3.191 20 0 FGADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)c1ccc(-c2ccccc2F)o1 ZINC000481937253 501923367 /nfs/dbraw/zinc/92/33/67/501923367.db2.gz YARZPMUCKOVWFN-UHFFFAOYSA-N -1 3 354.263 3.153 20 0 FGADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)c1ccc(-c2ccccc2F)o1 ZINC000481937253 501923368 /nfs/dbraw/zinc/92/33/68/501923368.db2.gz YARZPMUCKOVWFN-UHFFFAOYSA-N -1 3 354.263 3.153 20 0 FGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1ccc(-c2ccccc2F)o1 ZINC000481937253 501923372 /nfs/dbraw/zinc/92/33/72/501923372.db2.gz YARZPMUCKOVWFN-UHFFFAOYSA-N -1 3 354.263 3.153 20 0 FGADHM CCOC(=O)c1nnsc1[N-]C(=O)c1coc(C2CCCCC2)n1 ZINC000485751170 501924401 /nfs/dbraw/zinc/92/44/01/501924401.db2.gz DOEUZCZBOGQOJH-UHFFFAOYSA-N -1 3 350.400 3.003 20 0 FGADHM CN(C(=O)NCc1nnc(C(F)(F)F)[n-]1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000460836882 501933930 /nfs/dbraw/zinc/93/39/30/501933930.db2.gz MPXLFCWSYJJGFY-OCAPTIKFSA-N -1 3 373.301 3.086 20 0 FGADHM CN(C(=O)NCc1n[n-]c(C(F)(F)F)n1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000460836882 501933934 /nfs/dbraw/zinc/93/39/34/501933934.db2.gz MPXLFCWSYJJGFY-OCAPTIKFSA-N -1 3 373.301 3.086 20 0 FGADHM CN(C(=O)NCc1nc(C(F)(F)F)n[n-]1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000460836882 501933935 /nfs/dbraw/zinc/93/39/35/501933935.db2.gz MPXLFCWSYJJGFY-OCAPTIKFSA-N -1 3 373.301 3.086 20 0 FGADHM O=C(Nc1nnc(-c2c(F)cccc2F)[n-]1)[C@@H]1CCOc2ccccc21 ZINC000478316989 501941048 /nfs/dbraw/zinc/94/10/48/501941048.db2.gz UKQIAPGJUBBBSU-LLVKDONJSA-N -1 3 356.332 3.255 20 0 FGADHM O=C(Nc1nc(-c2c(F)cccc2F)n[n-]1)[C@@H]1CCOc2ccccc21 ZINC000478316989 501941050 /nfs/dbraw/zinc/94/10/50/501941050.db2.gz UKQIAPGJUBBBSU-LLVKDONJSA-N -1 3 356.332 3.255 20 0 FGADHM O=C(Nc1n[n-]c(-c2c(F)cccc2F)n1)[C@@H]1CCOc2ccccc21 ZINC000478316989 501941054 /nfs/dbraw/zinc/94/10/54/501941054.db2.gz UKQIAPGJUBBBSU-LLVKDONJSA-N -1 3 356.332 3.255 20 0 FGADHM CC(C)C[C@@H]1CCN(C(=O)N=c2cc3ccc(Br)cn3[n-]2)C1 ZINC000482085799 501969353 /nfs/dbraw/zinc/96/93/53/501969353.db2.gz VLHXKNIKXMFNNN-LBPRGKRZSA-N -1 3 365.275 3.419 20 0 FGADHM CCc1ncc(S(=O)(=O)[N-][C@H](c2ccc(OC)cc2)C(C)C)s1 ZINC000460954650 501970034 /nfs/dbraw/zinc/97/00/34/501970034.db2.gz CKOBBJVZLBMHPC-INIZCTEOSA-N -1 3 354.497 3.390 20 0 FGADHM C[C@@H]1CCCCN(C(=O)N=c2cc3ccc(Br)cn3[n-]2)C1 ZINC000482115662 501980062 /nfs/dbraw/zinc/98/00/62/501980062.db2.gz VGRYZQUELQSVFL-LLVKDONJSA-N -1 3 351.248 3.173 20 0 FGADHM CC(C)c1noc(-c2ccc(NC(=O)NCc3ncccc3[O-])cc2)n1 ZINC000471291089 501980173 /nfs/dbraw/zinc/98/01/73/501980173.db2.gz CCZRJGKTFXBYNA-UHFFFAOYSA-N -1 3 353.382 3.282 20 0 FGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)[C@H]2Cc3ccccc3S2)c1 ZINC000461023407 501992577 /nfs/dbraw/zinc/99/25/77/501992577.db2.gz MWSCOUDJBUAXFQ-MRXNPFEDSA-N -1 3 362.476 3.022 20 0 FGADHM Cc1nc(C)c(CCC(=O)NC[C@H]2CCCC[C@H]2C(F)(F)F)c(=O)[n-]1 ZINC000482197708 502005104 /nfs/dbraw/zinc/00/51/04/502005104.db2.gz HWFGMADCABXKTE-TZMCWYRMSA-N -1 3 359.392 3.217 20 0 FGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)N[C@@H]1CCC12CCCC2 ZINC000482198008 502005297 /nfs/dbraw/zinc/00/52/97/502005297.db2.gz GUIPWXWFQXHWTM-CYBMUJFWSA-N -1 3 363.259 3.363 20 0 FGADHM CCN(C(=O)CNC(=O)c1cccc([O-])c1)[C@@H](C)c1cc2ccccc2o1 ZINC000471388051 502007167 /nfs/dbraw/zinc/00/71/67/502007167.db2.gz NEOCEGOFWVCDLV-AWEZNQCLSA-N -1 3 366.417 3.478 20 0 FGADHM C[C@@H]1CCc2ccccc2N1CCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000468258689 502009041 /nfs/dbraw/zinc/00/90/41/502009041.db2.gz DELGBXOOQRAYFT-CQSZACIVSA-N -1 3 362.437 3.037 20 0 FGADHM Cc1cccc(C2(NC(=O)CNC(=O)c3cccc([O-])c3)CCCC2)c1 ZINC000471388514 502009029 /nfs/dbraw/zinc/00/90/29/502009029.db2.gz DAFOKMRTSWOUEE-UHFFFAOYSA-N -1 3 352.434 3.016 20 0 FGADHM C[C@@H]1CCc2ccccc2N1CCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000468258689 502009043 /nfs/dbraw/zinc/00/90/43/502009043.db2.gz DELGBXOOQRAYFT-CQSZACIVSA-N -1 3 362.437 3.037 20 0 FGADHM O=C(CNC(=O)c1cccc([O-])c1)Nc1cccc(OC2CCCC2)c1 ZINC000471400271 502012181 /nfs/dbraw/zinc/01/21/81/502012181.db2.gz WXBHPHREGBJUKM-UHFFFAOYSA-N -1 3 354.406 3.082 20 0 FGADHM CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-][C@@H](c1ccccc1)C1CC1 ZINC000485996950 502014133 /nfs/dbraw/zinc/01/41/33/502014133.db2.gz GGPNZERTOKNYCS-KRWDZBQOSA-N -1 3 363.435 3.058 20 0 FGADHM CCc1cc(C(=O)NC2CCN(c3ccccc3OC)CC2)ccc1[O-] ZINC000486004214 502015814 /nfs/dbraw/zinc/01/58/14/502015814.db2.gz KCJWMHIKHJQUAD-UHFFFAOYSA-N -1 3 354.450 3.362 20 0 FGADHM CC(C)c1cc(C(=O)N(C)[C@H](C)CN2CCOCC2)c([O-])c(C(C)C)c1 ZINC000464523532 502016237 /nfs/dbraw/zinc/01/62/37/502016237.db2.gz MDMYENPZDXMKHB-MRXNPFEDSA-N -1 3 362.514 3.432 20 0 FGADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)c1ccc(Cl)cc1C(F)(F)F ZINC000482247054 502018556 /nfs/dbraw/zinc/01/85/56/502018556.db2.gz QXIPPCZIZFWOLY-UHFFFAOYSA-N -1 3 372.656 3.426 20 0 FGADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)c1ccc(Cl)cc1C(F)(F)F ZINC000482247054 502018561 /nfs/dbraw/zinc/01/85/61/502018561.db2.gz QXIPPCZIZFWOLY-UHFFFAOYSA-N -1 3 372.656 3.426 20 0 FGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1ccc(Cl)cc1C(F)(F)F ZINC000482247054 502018564 /nfs/dbraw/zinc/01/85/64/502018564.db2.gz QXIPPCZIZFWOLY-UHFFFAOYSA-N -1 3 372.656 3.426 20 0 FGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]CCc1cc2ccccc2[nH]1 ZINC000486068957 502037260 /nfs/dbraw/zinc/03/72/60/502037260.db2.gz MQJYLJZBPNOWTC-UHFFFAOYSA-N -1 3 364.854 3.351 20 0 FGADHM CO[C@H](CNC(=O)c1cc(=O)c2ccccc2[n-]1)c1cccc(Cl)c1 ZINC000464598500 502040941 /nfs/dbraw/zinc/04/09/41/502040941.db2.gz UWWJCRIXTMJOBA-GOSISDBHSA-N -1 3 356.809 3.299 20 0 FGADHM [O-]c1ccc(Cc2nc(-c3ccnc(-n4cccn4)c3)no2)c(Cl)c1 ZINC000486092572 502044256 /nfs/dbraw/zinc/04/42/56/502044256.db2.gz ISZLISWIFFVBJM-UHFFFAOYSA-N -1 3 353.769 3.267 20 0 FGADHM CCc1cccc(CC(=O)N=c2nc(-c3ccccc3Cl)[n-]n2C)c1 ZINC000461234053 502047436 /nfs/dbraw/zinc/04/74/36/502047436.db2.gz BPSAYAPTTBEZJF-UHFFFAOYSA-N -1 3 354.841 3.301 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2cccc(-n3cc(C)[nH]c3=O)c2)c(C)c1 ZINC000478691243 502058384 /nfs/dbraw/zinc/05/83/84/502058384.db2.gz LAOLTBCKEJIOPT-UHFFFAOYSA-N -1 3 373.434 3.004 20 0 FGADHM COC(=O)c1c(F)ccc([N-]C(=O)c2cc(-c3ccccn3)no2)c1C ZINC000464694518 502066754 /nfs/dbraw/zinc/06/67/54/502066754.db2.gz XANXHXAQVFBZPP-UHFFFAOYSA-N -1 3 355.325 3.223 20 0 FGADHM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(OC)c(C)c2)c(C)cc1C ZINC000471580295 502072112 /nfs/dbraw/zinc/07/21/12/502072112.db2.gz HOHHEEGWSLMPKL-UHFFFAOYSA-N -1 3 363.435 3.208 20 0 FGADHM C[C@H](NC(=O)NCc1ncccc1[O-])c1ccc(OC(F)(F)F)cc1 ZINC000471599413 502081909 /nfs/dbraw/zinc/08/19/09/502081909.db2.gz RTQOKEVWWZMNTJ-JTQLQIEISA-N -1 3 355.316 3.246 20 0 FGADHM CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000461359025 502082070 /nfs/dbraw/zinc/08/20/70/502082070.db2.gz FDVFOWXCHCQXCX-IBGZPJMESA-N -1 3 374.506 3.460 20 0 FGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1C[C@@H]1c1cccc(F)c1 ZINC000486248602 502098362 /nfs/dbraw/zinc/09/83/62/502098362.db2.gz FJVJPDNVVFNIGR-KGLIPLIRSA-N -1 3 355.818 3.322 20 0 FGADHM O=C(c1cccc([O-])c1)N(CCCOc1ccccc1)C1CCOCC1 ZINC000468597306 502118590 /nfs/dbraw/zinc/11/85/90/502118590.db2.gz DZUSQJGIHWSCQZ-UHFFFAOYSA-N -1 3 355.434 3.483 20 0 FGADHM COc1ccc(CN2C[C@@H](C3CC3)O[C@@H](C)C2)c(Br)c1[O-] ZINC000475295401 502123747 /nfs/dbraw/zinc/12/37/47/502123747.db2.gz IEZZLEKZBPFMLR-HZMBPMFUSA-N -1 3 356.260 3.163 20 0 FGADHM COc1ccc(CN2C[C@H](C)O[C@@H](C3CC3)C2)c(Br)c1[O-] ZINC000475295402 502124004 /nfs/dbraw/zinc/12/40/04/502124004.db2.gz IEZZLEKZBPFMLR-IINYFYTJSA-N -1 3 356.260 3.163 20 0 FGADHM CC[C@@H](C)[C@H]1CCCCN1C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C)c1 ZINC000486353154 502130632 /nfs/dbraw/zinc/13/06/32/502130632.db2.gz ZWKQVTGCHARAAE-IUODEOHRSA-N -1 3 371.478 3.166 20 0 FGADHM COc1cccc(CN(C)C(=O)c2c[n-]c3c(C)cc(C)cc3c2=O)c1 ZINC000482624528 502130796 /nfs/dbraw/zinc/13/07/96/502130796.db2.gz AQEZUNHQMXHUAU-UHFFFAOYSA-N -1 3 350.418 3.426 20 0 FGADHM C[N-]S(=O)(=O)c1cc(NC(=O)N[C@@H](C)CC2CCCCC2)ccc1F ZINC000486391856 502140842 /nfs/dbraw/zinc/14/08/42/502140842.db2.gz ZSTCTJVXUFZCFT-LBPRGKRZSA-N -1 3 371.478 3.214 20 0 FGADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)N[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000482672565 502147403 /nfs/dbraw/zinc/14/74/03/502147403.db2.gz NBZKGYLZPJFVDX-GFCCVEGCSA-N -1 3 373.766 3.427 20 0 FGADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)N[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000482672565 502147409 /nfs/dbraw/zinc/14/74/09/502147409.db2.gz NBZKGYLZPJFVDX-GFCCVEGCSA-N -1 3 373.766 3.427 20 0 FGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000482672565 502147414 /nfs/dbraw/zinc/14/74/14/502147414.db2.gz NBZKGYLZPJFVDX-GFCCVEGCSA-N -1 3 373.766 3.427 20 0 FGADHM CCC[C@@H]1C[C@H]1C(=O)Nc1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1F ZINC000486453119 502157465 /nfs/dbraw/zinc/15/74/65/502157465.db2.gz SLCUOEUDMXPGAP-MWLCHTKSSA-N -1 3 374.865 3.295 20 0 FGADHM Cn1c2cc([O-])c(NC(=O)CCCc3ccccc3Cl)cc2n(C)c1=O ZINC000461626549 502157768 /nfs/dbraw/zinc/15/77/68/502157768.db2.gz ZZNOIHUUYJAFRZ-UHFFFAOYSA-N -1 3 373.840 3.197 20 0 FGADHM Cc1ccc(C[C@H](NC(=O)NCc2ncccc2[O-])c2ccccn2)cc1 ZINC000471886361 502164099 /nfs/dbraw/zinc/16/40/99/502164099.db2.gz GDEUHRXYPYPPNP-SFHVURJKSA-N -1 3 362.433 3.274 20 0 FGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)Cc2cccc(Cl)c2F)c1 ZINC000486482194 502167499 /nfs/dbraw/zinc/16/74/99/502167499.db2.gz YWEVAMJQHSGZPB-UHFFFAOYSA-N -1 3 370.833 3.340 20 0 FGADHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1C[C@H](C)C[C@@H](C)[C@@H]1C ZINC000475471966 502182200 /nfs/dbraw/zinc/18/22/00/502182200.db2.gz UDAUEBHTWPYKQT-WZRBSPASSA-N -1 3 366.483 3.065 20 0 FGADHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1C[C@H](C)C[C@@H](C)[C@H]1C ZINC000475471963 502182557 /nfs/dbraw/zinc/18/25/57/502182557.db2.gz UDAUEBHTWPYKQT-NQBHXWOUSA-N -1 3 366.483 3.065 20 0 FGADHM CCCC[C@H](CCC)NC(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C)c1 ZINC000486547156 502186336 /nfs/dbraw/zinc/18/63/36/502186336.db2.gz IGQSNSJUCPVNGT-LBPRGKRZSA-N -1 3 359.467 3.214 20 0 FGADHM CC[C@H](COC)[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000468806493 502190225 /nfs/dbraw/zinc/19/02/25/502190225.db2.gz BWMQHKXWPYFUOP-CQSZACIVSA-N -1 3 361.891 3.222 20 0 FGADHM C[C@@H](CC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000479208172 502192884 /nfs/dbraw/zinc/19/28/84/502192884.db2.gz JXZVFNOXVVZCFZ-VIFPVBQESA-N -1 3 368.282 3.392 20 0 FGADHM O=C(CCCc1ccc([O-])c(F)c1)N(Cc1ccncc1)C[C@@H]1CCCO1 ZINC000468837460 502201111 /nfs/dbraw/zinc/20/11/11/502201111.db2.gz FOAXSCUBSYRGQK-SFHVURJKSA-N -1 3 372.440 3.457 20 0 FGADHM CC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cc3c(cc2C)OCO3)c1 ZINC000479252092 502206579 /nfs/dbraw/zinc/20/65/79/502206579.db2.gz JJGZTLBZCOCOCP-UHFFFAOYSA-N -1 3 367.810 3.381 20 0 FGADHM Cc1cccc(F)c1S(=O)(=O)[N-]CCCCOCCc1ccccc1 ZINC000475543395 502208577 /nfs/dbraw/zinc/20/85/77/502208577.db2.gz DKCIAJPVIMENHD-UHFFFAOYSA-N -1 3 365.470 3.452 20 0 FGADHM Cc1cccc(F)c1S(=O)(=O)[N-]C[C@@H](c1cccs1)N1CCCC1 ZINC000475552999 502211894 /nfs/dbraw/zinc/21/18/94/502211894.db2.gz JWIZJNVJOVPGSI-HNNXBMFYSA-N -1 3 368.499 3.311 20 0 FGADHM C[C@@H](NC(=O)NCc1ncccc1[O-])c1ccc(OCC2CC2)c(F)c1 ZINC000472057393 502214013 /nfs/dbraw/zinc/21/40/13/502214013.db2.gz HXCQZGXIAFTGIM-GFCCVEGCSA-N -1 3 359.401 3.276 20 0 FGADHM CCn1nccc1NC(=O)c1n[n-]c(-c2ccccc2)c1Br ZINC000486631588 502214380 /nfs/dbraw/zinc/21/43/80/502214380.db2.gz VBCXITIAYATKOB-UHFFFAOYSA-N -1 3 360.215 3.308 20 0 FGADHM CCn1nccc1NC(=O)c1[n-]nc(-c2ccccc2)c1Br ZINC000486631588 502214386 /nfs/dbraw/zinc/21/43/86/502214386.db2.gz VBCXITIAYATKOB-UHFFFAOYSA-N -1 3 360.215 3.308 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)c1ccc(C)c(Br)c1)C(F)(F)F ZINC000468890248 502219155 /nfs/dbraw/zinc/21/91/55/502219155.db2.gz IVXFVFJICYIXAH-JTQLQIEISA-N -1 3 360.195 3.377 20 0 FGADHM CCOc1ccccc1[C@H](CC)NC(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000482937784 502221376 /nfs/dbraw/zinc/22/13/76/502221376.db2.gz PVHASMFGSNPDKO-NSHDSACASA-N -1 3 371.363 3.173 20 0 FGADHM CCOc1ccccc1[C@H](CC)NC(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000482937784 502221382 /nfs/dbraw/zinc/22/13/82/502221382.db2.gz PVHASMFGSNPDKO-NSHDSACASA-N -1 3 371.363 3.173 20 0 FGADHM CCOc1ccccc1[C@H](CC)NC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000482937784 502221389 /nfs/dbraw/zinc/22/13/89/502221389.db2.gz PVHASMFGSNPDKO-NSHDSACASA-N -1 3 371.363 3.173 20 0 FGADHM NC(=O)[C@@H]1CCC[C@H](C(=O)Nc2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000468900218 502223257 /nfs/dbraw/zinc/22/32/57/502223257.db2.gz JHKKRYJVTQNUFV-SJORKVTESA-N -1 3 352.434 3.213 20 0 FGADHM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(C)cc1C)c1ccc(C)c(C)c1 ZINC000468903706 502223947 /nfs/dbraw/zinc/22/39/47/502223947.db2.gz JRIHEFKNMKLORX-SFHVURJKSA-N -1 3 361.463 3.113 20 0 FGADHM COC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1)C1CC1 ZINC000468924374 502231818 /nfs/dbraw/zinc/23/18/18/502231818.db2.gz JIDPBRKTOWNHEJ-OAHLLOKOSA-N -1 3 373.902 3.222 20 0 FGADHM CCN1CCCC[C@H]1C[N-]S(=O)(=O)c1oc2ccc(F)cc2c1C ZINC000472118245 502238739 /nfs/dbraw/zinc/23/87/39/502238739.db2.gz RRKDHRPMTDNXJU-AWEZNQCLSA-N -1 3 354.447 3.033 20 0 FGADHM O=C(NCc1ncccc1[O-])N[C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000472123285 502240370 /nfs/dbraw/zinc/24/03/70/502240370.db2.gz ZTDHOAVWQFVFTK-GFCCVEGCSA-N -1 3 357.307 3.419 20 0 FGADHM CCC[C@@H](Cc1ccccc1)NC(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000483004074 502242431 /nfs/dbraw/zinc/24/24/31/502242431.db2.gz MKFJJRVQGWAPCE-LBPRGKRZSA-N -1 3 355.364 3.034 20 0 FGADHM CCC[C@@H](Cc1ccccc1)NC(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000483004074 502242437 /nfs/dbraw/zinc/24/24/37/502242437.db2.gz MKFJJRVQGWAPCE-LBPRGKRZSA-N -1 3 355.364 3.034 20 0 FGADHM CCC[C@@H](Cc1ccccc1)NC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000483004074 502242443 /nfs/dbraw/zinc/24/24/43/502242443.db2.gz MKFJJRVQGWAPCE-LBPRGKRZSA-N -1 3 355.364 3.034 20 0 FGADHM O=C(Cc1ccoc1)Nc1n[n-]c(-c2ccc(Br)cc2F)n1 ZINC000483061312 502259993 /nfs/dbraw/zinc/25/99/93/502259993.db2.gz QRSVNAZNURYYPO-UHFFFAOYSA-N -1 3 365.162 3.148 20 0 FGADHM CCC[C@@H](C(=O)Nc1ccc(F)c([N-]S(C)(=O)=O)c1)c1ccccn1 ZINC000479446653 502261631 /nfs/dbraw/zinc/26/16/31/502261631.db2.gz NKOGZAQZLUNHJS-CYBMUJFWSA-N -1 3 365.430 3.115 20 0 FGADHM CC[C@@H](NC(=O)NCc1nnc(C(F)(F)F)[n-]1)c1ccc(F)cc1F ZINC000483077485 502264643 /nfs/dbraw/zinc/26/46/43/502264643.db2.gz MGCSEJORKVDMOA-SNVBAGLBSA-N -1 3 363.290 3.052 20 0 FGADHM CC[C@@H](NC(=O)NCc1n[n-]c(C(F)(F)F)n1)c1ccc(F)cc1F ZINC000483077485 502264648 /nfs/dbraw/zinc/26/46/48/502264648.db2.gz MGCSEJORKVDMOA-SNVBAGLBSA-N -1 3 363.290 3.052 20 0 FGADHM CC[C@@H](NC(=O)NCc1nc(C(F)(F)F)n[n-]1)c1ccc(F)cc1F ZINC000483077485 502264654 /nfs/dbraw/zinc/26/46/54/502264654.db2.gz MGCSEJORKVDMOA-SNVBAGLBSA-N -1 3 363.290 3.052 20 0 FGADHM CCc1cc(C(=O)N[C@H](C(=O)OC)c2ccc(Cl)c(F)c2)ccc1[O-] ZINC000486802470 502267426 /nfs/dbraw/zinc/26/74/26/502267426.db2.gz NCYJQHJQYRSNLG-INIZCTEOSA-N -1 3 365.788 3.391 20 0 FGADHM Cc1nc2ccc(C(=O)Nc3cc(C)ccc3[N-]S(C)(=O)=O)cc2o1 ZINC000472215916 502272681 /nfs/dbraw/zinc/27/26/81/502272681.db2.gz WIARJTYFWGDFBO-UHFFFAOYSA-N -1 3 359.407 3.068 20 0 FGADHM COc1ccccc1O[C@@H](C)C[N-]S(=O)(=O)c1cc(F)c(C)cc1F ZINC000475747507 502278795 /nfs/dbraw/zinc/27/87/95/502278795.db2.gz CRGMUJXWRLCMKK-LBPRGKRZSA-N -1 3 371.405 3.028 20 0 FGADHM CCC(CC)(CNC(=O)NCc1nnc(C(F)(F)F)[n-]1)c1ccccc1 ZINC000483121652 502279857 /nfs/dbraw/zinc/27/98/57/502279857.db2.gz VZIBFOUHQHVVSX-UHFFFAOYSA-N -1 3 369.391 3.381 20 0 FGADHM CCC(CC)(CNC(=O)NCc1n[n-]c(C(F)(F)F)n1)c1ccccc1 ZINC000483121652 502279863 /nfs/dbraw/zinc/27/98/63/502279863.db2.gz VZIBFOUHQHVVSX-UHFFFAOYSA-N -1 3 369.391 3.381 20 0 FGADHM CCC(CC)(CNC(=O)NCc1nc(C(F)(F)F)n[n-]1)c1ccccc1 ZINC000483121652 502279869 /nfs/dbraw/zinc/27/98/69/502279869.db2.gz VZIBFOUHQHVVSX-UHFFFAOYSA-N -1 3 369.391 3.381 20 0 FGADHM Cc1onc(-c2ccccc2C)c1C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000475763303 502284076 /nfs/dbraw/zinc/28/40/76/502284076.db2.gz RENDKTWDMYLUMQ-UHFFFAOYSA-N -1 3 374.404 3.069 20 0 FGADHM Cc1onc(-c2ccccc2C)c1C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000475763303 502284081 /nfs/dbraw/zinc/28/40/81/502284081.db2.gz RENDKTWDMYLUMQ-UHFFFAOYSA-N -1 3 374.404 3.069 20 0 FGADHM CC[C@H](CNC(=O)c1csc(=O)[n-]1)Oc1ccccc1C(F)(F)F ZINC000472250258 502285299 /nfs/dbraw/zinc/28/52/99/502285299.db2.gz HUUPYTGVVWVPET-SECBINFHSA-N -1 3 360.357 3.455 20 0 FGADHM COc1cc(F)c([N-]S(=O)(=O)c2ccc3ncsc3c2)cc1F ZINC000479521812 502285296 /nfs/dbraw/zinc/28/52/96/502285296.db2.gz KAPFWIFLCPLQDL-UHFFFAOYSA-N -1 3 356.375 3.384 20 0 FGADHM O=S(=O)([N-][C@@H]1[C@@H]2CCC[C@@H]21)c1ccc(Cl)c(Br)c1 ZINC000486861176 502286569 /nfs/dbraw/zinc/28/65/69/502286569.db2.gz ZAOAOEAXHUIVTQ-BZBKMWRSSA-N -1 3 350.665 3.179 20 0 FGADHM CC(C)C[C@@H](CN(C)C)[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000462068060 502292873 /nfs/dbraw/zinc/29/28/73/502292873.db2.gz PRDHPUNYIDZDTC-JTQLQIEISA-N -1 3 358.451 3.022 20 0 FGADHM C[C@H](CN1CCC[C@@H](C)C1)[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000462066728 502293036 /nfs/dbraw/zinc/29/30/36/502293036.db2.gz ISGXVZWOBBPZSU-GHMZBOCLSA-N -1 3 370.462 3.166 20 0 FGADHM Cc1c(S(=O)(=O)[N-]c2ccc(C)cc2Cl)cnn1-c1ccccn1 ZINC000462075759 502297452 /nfs/dbraw/zinc/29/74/52/502297452.db2.gz STGHMISZZZWYSN-UHFFFAOYSA-N -1 3 362.842 3.338 20 0 FGADHM CCc1nnc([N-]C(=O)c2occc2CN2C(=O)Cc3ccccc32)s1 ZINC000486905482 502299262 /nfs/dbraw/zinc/29/92/62/502299262.db2.gz YKYADKVUSNXIIJ-UHFFFAOYSA-N -1 3 368.418 3.035 20 0 FGADHM O=C(Nc1n[n-]c(-c2ccc(Br)cc2F)n1)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000483182602 502305569 /nfs/dbraw/zinc/30/55/69/502305569.db2.gz IJENKYBBBLDJBY-GDGBQDQQSA-N -1 3 365.206 3.358 20 0 FGADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H](C)CC(=O)OC(C)(C)C ZINC000472308539 502308428 /nfs/dbraw/zinc/30/84/28/502308428.db2.gz AJVZIXFXVWBMQP-SNVBAGLBSA-N -1 3 371.430 3.279 20 0 FGADHM C[C@H](C[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)N1CCC[C@H](C)C1 ZINC000462105294 502308868 /nfs/dbraw/zinc/30/88/68/502308868.db2.gz OZCHHEKUPQFELC-WDEREUQCSA-N -1 3 370.462 3.166 20 0 FGADHM Cc1nc(C)c(C[N-]S(=O)(=O)c2oc3ccc(F)cc3c2C)s1 ZINC000472322909 502315053 /nfs/dbraw/zinc/31/50/53/502315053.db2.gz SHTJXKJRGCFJMU-UHFFFAOYSA-N -1 3 354.428 3.432 20 0 FGADHM Cc1ccc(F)c(S(=O)(=O)[N-]C[C@@H]2CCN(c3ccccc3F)C2)c1 ZINC000462127593 502316162 /nfs/dbraw/zinc/31/61/62/502316162.db2.gz SXJQPCDAJOMATM-AWEZNQCLSA-N -1 3 366.433 3.078 20 0 FGADHM Cc1cc(C(=O)[N-]c2nc(C)nn2-c2ccccc2)c(C(F)(F)F)o1 ZINC000472328417 502317832 /nfs/dbraw/zinc/31/78/32/502317832.db2.gz OEWWPBJJPZMHNX-UHFFFAOYSA-N -1 3 350.300 3.170 20 0 FGADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]CCCC(=O)OC(C)(C)C ZINC000472333489 502318908 /nfs/dbraw/zinc/31/89/08/502318908.db2.gz CRLBUNIUOQWRNR-UHFFFAOYSA-N -1 3 371.430 3.281 20 0 FGADHM CCOCCC1(C[N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)CCCC1 ZINC000472335749 502320323 /nfs/dbraw/zinc/32/03/23/502320323.db2.gz FLPGJQJWIIVTLQ-UHFFFAOYSA-N -1 3 365.417 3.369 20 0 FGADHM CN(C)c1cc([N-]S(=O)(=O)c2ccc(CC(F)(F)F)cc2)ccn1 ZINC000479621873 502321132 /nfs/dbraw/zinc/32/11/32/502321132.db2.gz XKTOCAVYFCEGMZ-UHFFFAOYSA-N -1 3 359.373 3.053 20 0 FGADHM CC(C)Cn1cnc(S(=O)(=O)[N-][C@H](C)c2ccc(OC(C)C)cc2)c1 ZINC000486990697 502324699 /nfs/dbraw/zinc/32/46/99/502324699.db2.gz QRRHNLCBVOQDOH-OAHLLOKOSA-N -1 3 365.499 3.366 20 0 FGADHM O=S(=O)([N-][C@@H](c1ccccc1)[C@@H]1CCCO1)c1cc(F)c(F)c(F)c1 ZINC000462167669 502331238 /nfs/dbraw/zinc/33/12/38/502331238.db2.gz WMIBDLFSOAAJFU-RDJZCZTQSA-N -1 3 371.380 3.303 20 0 FGADHM O=S(=O)(Cc1cccc(C(F)F)c1)c1nnc(Cc2ccccc2)[n-]1 ZINC000479656087 502333696 /nfs/dbraw/zinc/33/36/96/502333696.db2.gz ADYUBNQHBZMBIA-UHFFFAOYSA-N -1 3 363.389 3.307 20 0 FGADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)Nc1ccccc1C(F)(F)F ZINC000479767277 502372043 /nfs/dbraw/zinc/37/20/43/502372043.db2.gz ATJVFVYCKGIRIK-UHFFFAOYSA-N -1 3 353.226 3.164 20 0 FGADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)Nc1ccccc1C(F)(F)F ZINC000479767277 502372048 /nfs/dbraw/zinc/37/20/48/502372048.db2.gz ATJVFVYCKGIRIK-UHFFFAOYSA-N -1 3 353.226 3.164 20 0 FGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)Nc1ccccc1C(F)(F)F ZINC000479767277 502372053 /nfs/dbraw/zinc/37/20/53/502372053.db2.gz ATJVFVYCKGIRIK-UHFFFAOYSA-N -1 3 353.226 3.164 20 0 FGADHM COc1ccc(S(=O)(=O)[N-][C@H]2COc3ccccc32)c(Cl)c1Cl ZINC000462278143 502378170 /nfs/dbraw/zinc/37/81/70/502378170.db2.gz VWLCDEWJHYVBNK-JTQLQIEISA-N -1 3 374.245 3.414 20 0 FGADHM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)c2cccc3ncccc32)o1 ZINC000462296828 502383264 /nfs/dbraw/zinc/38/32/64/502383264.db2.gz KOPMSKXVRBHKMN-MRXNPFEDSA-N -1 3 360.435 3.056 20 0 FGADHM COC1(C[N-]S(=O)(=O)c2cc(Cl)ccc2OCC2CCC2)CCC1 ZINC000469365436 502388505 /nfs/dbraw/zinc/38/85/05/502388505.db2.gz WOPYIPYRWBGWFR-UHFFFAOYSA-N -1 3 373.902 3.366 20 0 FGADHM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)c2ccc(C)c3ncccc23)o1 ZINC000462321486 502392269 /nfs/dbraw/zinc/39/22/69/502392269.db2.gz VHVUKAFOQDJNMO-MRXNPFEDSA-N -1 3 374.462 3.365 20 0 FGADHM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)c2cc(C)c(F)c(C)c2)o1 ZINC000462323836 502393302 /nfs/dbraw/zinc/39/33/02/502393302.db2.gz APMQCJAFHWCGHZ-OAHLLOKOSA-N -1 3 355.431 3.264 20 0 FGADHM Cc1ccc(F)c(S(=O)(=O)[N-]Cc2nc3cccc(Cl)c3n2C)c1 ZINC000476197126 502410555 /nfs/dbraw/zinc/41/05/55/502410555.db2.gz RHBLAZCYBMCYRP-UHFFFAOYSA-N -1 3 367.833 3.153 20 0 FGADHM CC[C@@H](C)N(Cc1ccccc1)C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000483553943 502428971 /nfs/dbraw/zinc/42/89/71/502428971.db2.gz BBFGMEHJAUGTBT-LLVKDONJSA-N -1 3 355.364 3.334 20 0 FGADHM CC[C@@H](C)N(Cc1ccccc1)C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000483553943 502428973 /nfs/dbraw/zinc/42/89/73/502428973.db2.gz BBFGMEHJAUGTBT-LLVKDONJSA-N -1 3 355.364 3.334 20 0 FGADHM CC[C@@H](C)N(Cc1ccccc1)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000483553943 502428974 /nfs/dbraw/zinc/42/89/74/502428974.db2.gz BBFGMEHJAUGTBT-LLVKDONJSA-N -1 3 355.364 3.334 20 0 FGADHM Cc1ccc(C[C@@H]2CCCN2C(=O)NCc2nnc(C(F)(F)F)[n-]2)cc1 ZINC000483562123 502431810 /nfs/dbraw/zinc/43/18/10/502431810.db2.gz OHGXLBPYNQJPSU-ZDUSSCGKSA-N -1 3 367.375 3.049 20 0 FGADHM Cc1ccc(C[C@@H]2CCCN2C(=O)NCc2n[n-]c(C(F)(F)F)n2)cc1 ZINC000483562123 502431816 /nfs/dbraw/zinc/43/18/16/502431816.db2.gz OHGXLBPYNQJPSU-ZDUSSCGKSA-N -1 3 367.375 3.049 20 0 FGADHM Cc1ccc(C[C@@H]2CCCN2C(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000483562123 502431822 /nfs/dbraw/zinc/43/18/22/502431822.db2.gz OHGXLBPYNQJPSU-ZDUSSCGKSA-N -1 3 367.375 3.049 20 0 FGADHM Cc1ccc(C)c([C@@H]2CCCN2C(=O)NCc2nnc(C(F)(F)F)[n-]2)c1 ZINC000483576127 502435190 /nfs/dbraw/zinc/43/51/90/502435190.db2.gz RLJTYXOAFVAIFO-ZDUSSCGKSA-N -1 3 367.375 3.487 20 0 FGADHM Cc1ccc(C)c([C@@H]2CCCN2C(=O)NCc2n[n-]c(C(F)(F)F)n2)c1 ZINC000483576127 502435195 /nfs/dbraw/zinc/43/51/95/502435195.db2.gz RLJTYXOAFVAIFO-ZDUSSCGKSA-N -1 3 367.375 3.487 20 0 FGADHM Cc1ccc(C)c([C@@H]2CCCN2C(=O)NCc2nc(C(F)(F)F)n[n-]2)c1 ZINC000483576127 502435200 /nfs/dbraw/zinc/43/52/00/502435200.db2.gz RLJTYXOAFVAIFO-ZDUSSCGKSA-N -1 3 367.375 3.487 20 0 FGADHM CCOc1ccc(S(=O)(=O)C(C)=C([O-])c2cnc3[nH]cccc2-3)cc1 ZINC000487418811 502438540 /nfs/dbraw/zinc/43/85/40/502438540.db2.gz IKWDPAFGTXDSKP-GFCCVEGCSA-N -1 3 358.419 3.007 20 0 FGADHM CCOc1nc2cc(C(=O)N3CCO[C@@H](c4ccc(F)cc4)C3)ccc2[n-]1 ZINC000469511737 502447119 /nfs/dbraw/zinc/44/71/19/502447119.db2.gz GUOKLNWRGKKVBK-GOSISDBHSA-N -1 3 369.396 3.314 20 0 FGADHM CCOc1nc2ccc(C(=O)N3CCO[C@@H](c4ccc(F)cc4)C3)cc2[n-]1 ZINC000469511737 502447125 /nfs/dbraw/zinc/44/71/25/502447125.db2.gz GUOKLNWRGKKVBK-GOSISDBHSA-N -1 3 369.396 3.314 20 0 FGADHM CCOc1nc2cc(C(=O)N[C@H](C)c3ccc4c(c3)OCO4)ccc2[n-]1 ZINC000469515449 502448389 /nfs/dbraw/zinc/44/83/89/502448389.db2.gz NJRRULYTYAIZQK-LLVKDONJSA-N -1 3 353.378 3.181 20 0 FGADHM CCOc1nc2ccc(C(=O)N[C@H](C)c3ccc4c(c3)OCO4)cc2[n-]1 ZINC000469515449 502448391 /nfs/dbraw/zinc/44/83/91/502448391.db2.gz NJRRULYTYAIZQK-LLVKDONJSA-N -1 3 353.378 3.181 20 0 FGADHM CCCc1ccc(-c2cc(=NC(=O)Cc3csc4nccn34)[nH][n-]2)cc1 ZINC000487463298 502449899 /nfs/dbraw/zinc/44/98/99/502449899.db2.gz OROSHMBUSHQQRB-UHFFFAOYSA-N -1 3 365.462 3.342 20 0 FGADHM COC(=O)[C@H](C[N-]S(=O)(=O)c1cccc(Cl)c1Cl)CC(C)C ZINC000462494833 502463592 /nfs/dbraw/zinc/46/35/92/502463592.db2.gz MSMABGMBMLPLBX-JTQLQIEISA-N -1 3 368.282 3.107 20 0 FGADHM CC1(C)[C@H]([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)[C@H]2CCCO[C@@H]21 ZINC000462494523 502463876 /nfs/dbraw/zinc/46/38/76/502463876.db2.gz ATPYHCZQDATERX-MCIONIFRSA-N -1 3 364.294 3.475 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1c(F)cccc1F)c1cccc(-n2ccnc2)c1 ZINC000462572918 502491074 /nfs/dbraw/zinc/49/10/74/502491074.db2.gz OELHTMRMNXOPKG-GFCCVEGCSA-N -1 3 363.389 3.190 20 0 FGADHM Cc1n[nH]cc1-c1nnc(NC(=O)CCCc2ccc([O-])c(F)c2)s1 ZINC000469662322 502496430 /nfs/dbraw/zinc/49/64/30/502496430.db2.gz MECRUPXJEIXUAB-UHFFFAOYSA-N -1 3 361.402 3.043 20 0 FGADHM CCOC(=O)c1ccc(NC(=O)[C@@H]2CCc3cc(C)ccc3O2)c([O-])c1 ZINC000476472149 502499095 /nfs/dbraw/zinc/49/90/95/502499095.db2.gz PBCDIEZTLDLJQW-SFHVURJKSA-N -1 3 355.390 3.210 20 0 FGADHM CCOC(=O)c1ccc(NC(=O)[C@H]2CCc3nc(C(C)C)[nH]c3C2)c([O-])c1 ZINC000476474243 502499229 /nfs/dbraw/zinc/49/92/29/502499229.db2.gz XKENTHZHVQAXRL-LBPRGKRZSA-N -1 3 371.437 3.159 20 0 FGADHM CCOC(=O)c1ccc(NC(=O)[C@H]2CCc3[nH]c(C(C)C)nc3C2)c([O-])c1 ZINC000476474243 502499234 /nfs/dbraw/zinc/49/92/34/502499234.db2.gz XKENTHZHVQAXRL-LBPRGKRZSA-N -1 3 371.437 3.159 20 0 FGADHM CCOC(=O)[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)[C@H](C)CC ZINC000462595523 502499772 /nfs/dbraw/zinc/49/97/72/502499772.db2.gz UFHSYCHGCOXLNC-NOZJJQNGSA-N -1 3 368.282 3.250 20 0 FGADHM COC(=O)c1cc([N-]S(=O)(=O)CCc2ccccc2)cc(Cl)c1F ZINC000480211162 502503605 /nfs/dbraw/zinc/50/36/05/502503605.db2.gz WKJFIXVOWPGQND-UHFFFAOYSA-N -1 3 371.817 3.250 20 0 FGADHM Cc1nccn1-c1ccc([C@@H](C)NC(=O)c2csc(=NC3CC3)[n-]2)cc1 ZINC000476535833 502517449 /nfs/dbraw/zinc/51/74/49/502517449.db2.gz MJUNGJKCLMCBAA-GFCCVEGCSA-N -1 3 367.478 3.124 20 0 FGADHM O=C([C@@H]1Cc2ccccc2CN1Cc1cc([O-])cc(F)c1)N1CCCC1 ZINC000473132194 502524275 /nfs/dbraw/zinc/52/42/75/502524275.db2.gz JXSCMXUPJQJKPP-FQEVSTJZSA-N -1 3 354.425 3.081 20 0 FGADHM CO[C@@H](C[N-]S(=O)(=O)c1cc(F)cc(F)c1)c1cccc(Cl)c1 ZINC000462668158 502529041 /nfs/dbraw/zinc/52/90/41/502529041.db2.gz WMBPQTDNHJISQA-HNNXBMFYSA-N -1 3 361.797 3.284 20 0 FGADHM CCC[C@H]([N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)OC(C)(C)C ZINC000462689572 502535072 /nfs/dbraw/zinc/53/50/72/502535072.db2.gz YPRMTMIIYIUDHJ-VIFPVBQESA-N -1 3 353.893 3.190 20 0 FGADHM CC(=O)Nc1ncccc1[N-]S(=O)(=O)Cc1cccc(C(F)(F)F)c1 ZINC000484003790 502547114 /nfs/dbraw/zinc/54/71/14/502547114.db2.gz JNFXWIRBHMTWSB-UHFFFAOYSA-N -1 3 373.356 3.001 20 0 FGADHM Cc1cc(C)c(C(=O)Nc2ncccc2[O-])cc1I ZINC000476653079 502551486 /nfs/dbraw/zinc/55/14/86/502551486.db2.gz FFSRYQKJMYBGJM-UHFFFAOYSA-N -1 3 368.174 3.261 20 0 FGADHM CC(C)Cc1ccc([C@H](C)C(=O)N=c2cc(OC(F)F)n(C)[n-]2)cc1 ZINC000469821040 502557431 /nfs/dbraw/zinc/55/74/31/502557431.db2.gz OKBPMXVWOLHDLJ-LBPRGKRZSA-N -1 3 351.397 3.384 20 0 FGADHM O=C(Cn1cnc2ccccc21)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000476699122 502567342 /nfs/dbraw/zinc/56/73/42/502567342.db2.gz ZNBUNXGNNREKEU-UHFFFAOYSA-N -1 3 351.284 3.279 20 0 FGADHM Cc1ccc(-n2cc([N-]S(=O)(=O)CCc3ccccc3)cn2)c(C)c1 ZINC000466427826 502568560 /nfs/dbraw/zinc/56/85/60/502568560.db2.gz FFVBYHFGQTWWTQ-UHFFFAOYSA-N -1 3 355.463 3.474 20 0 FGADHM Cc1cc(C)cc(NC(=O)CN2C[C@H](C(=O)[O-])[C@@H](c3ccccc3)C2)c1 ZINC000582605882 506322261 /nfs/dbraw/zinc/32/22/61/506322261.db2.gz XHXYYWKKJOYIKT-MOPGFXCFSA-N -1 3 352.434 3.042 20 0 FGADHM CC1(C)CCC[C@H]1C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000476774596 502583879 /nfs/dbraw/zinc/58/38/79/502583879.db2.gz FVNSFQIUHYTITH-ZDUSSCGKSA-N -1 3 354.447 3.031 20 0 FGADHM O=C(NCCCN[C@H](c1ccccc1)C(F)(F)F)c1cccc([O-])c1 ZINC000462810957 502584219 /nfs/dbraw/zinc/58/42/19/502584219.db2.gz DRJMYXQXPLQHMS-MRXNPFEDSA-N -1 3 352.356 3.405 20 0 FGADHM CC(C)CC[C@@H]1CCCCN1C(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000473402290 502585301 /nfs/dbraw/zinc/58/53/01/502585301.db2.gz QRUQMGOGLVUNTI-GJZGRUSLSA-N -1 3 372.556 3.232 20 0 FGADHM O=C(NCc1ncccc1[O-])Nc1cccc2c1CN(c1nccs1)C2 ZINC000469933484 502600873 /nfs/dbraw/zinc/60/08/73/502600873.db2.gz CTRKZOWUDAJRFX-UHFFFAOYSA-N -1 3 367.434 3.086 20 0 FGADHM C[C@]1(C[N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)CCO[C@@H]1C1CC1 ZINC000466573475 502613014 /nfs/dbraw/zinc/61/30/14/502613014.db2.gz MDBMGTBHMAPGLI-HUUCEWRRSA-N -1 3 364.294 3.477 20 0 FGADHM Cc1nc(CNC(=O)c2cc(C)nc(=O)[n-]2)oc1-c1ccc(Cl)cc1 ZINC000476922466 502622643 /nfs/dbraw/zinc/62/26/43/502622643.db2.gz AMCFQTPLDSVZEZ-UHFFFAOYSA-N -1 3 358.785 3.037 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)c3ccc4c(c3)CCCC4=O)[n-]c21 ZINC000484414752 502639921 /nfs/dbraw/zinc/63/99/21/502639921.db2.gz JDWQAZMXQJUMTF-UHFFFAOYSA-N -1 3 363.373 3.121 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccc4c(c3)CCCC4=O)nc21 ZINC000484414752 502639924 /nfs/dbraw/zinc/63/99/24/502639924.db2.gz JDWQAZMXQJUMTF-UHFFFAOYSA-N -1 3 363.373 3.121 20 0 FGADHM COc1cc(NC(=O)c2c[n-]nc2-c2ccccc2)ncc1Br ZINC000477007213 502648008 /nfs/dbraw/zinc/64/80/08/502648008.db2.gz YOTLZGVRJPQMKK-UHFFFAOYSA-N -1 3 373.210 3.495 20 0 FGADHM O=S(=O)([N-][C@H]1CC[C@@H](c2ccc(F)cc2)C1)c1cncc(Cl)c1 ZINC000480725867 502654193 /nfs/dbraw/zinc/65/41/93/502654193.db2.gz FOFHWETYNFNGSF-DOMZBBRYSA-N -1 3 354.834 3.489 20 0 FGADHM Cc1ccccc1C[C@@H](CO)[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000466745829 502662011 /nfs/dbraw/zinc/66/20/11/502662011.db2.gz YHRGXOJAVGQVIB-ZDUSSCGKSA-N -1 3 374.289 3.184 20 0 FGADHM CCCOc1ccc(CC(=O)NCc2ncccc2[O-])cc1OCCC ZINC000473642687 502664464 /nfs/dbraw/zinc/66/44/64/502664464.db2.gz QATQZGANPAGNRP-UHFFFAOYSA-N -1 3 358.438 3.224 20 0 FGADHM COC(=O)c1[n-]c(=N[C@@H]2C[C@H]2c2ccc(Br)s2)sc1C ZINC000480826004 502680436 /nfs/dbraw/zinc/68/04/36/502680436.db2.gz ZMVJFTMINQZRSZ-HTQZYQBOSA-N -1 3 373.297 3.452 20 0 FGADHM Cc1ccccc1S(=O)(=O)[N-]c1ccc(O[C@@H]2CCCC[C@@H]2O)cc1 ZINC000484613289 502682514 /nfs/dbraw/zinc/68/25/14/502682514.db2.gz APPYLTWGZXILHW-ZWKOTPCHSA-N -1 3 361.463 3.478 20 0 FGADHM O=C(NCc1ncccc1[O-])c1cc(F)c(Br)cc1Cl ZINC000477137110 502687970 /nfs/dbraw/zinc/68/79/70/502687970.db2.gz KUBRERFRWLKQEZ-UHFFFAOYSA-N -1 3 359.582 3.272 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)Nc1ccccc1 ZINC000480896572 502699915 /nfs/dbraw/zinc/69/99/15/502699915.db2.gz WYBKXCGDDNKMQC-JTQLQIEISA-N -1 3 373.261 3.299 20 0 FGADHM CO[C@]1(C)C[C@@H]([N-]S(=O)(=O)c2ccccc2C(F)(F)F)C1(C)C ZINC000466860798 502706487 /nfs/dbraw/zinc/70/64/87/502706487.db2.gz GORRZGDVGIBIQX-TZMCWYRMSA-N -1 3 351.390 3.187 20 0 FGADHM O=C(NCc1ncccc1[O-])Nc1cc(F)cc(F)c1Br ZINC000470234719 502711230 /nfs/dbraw/zinc/71/12/30/502711230.db2.gz XTSSFHHWYIIIQD-UHFFFAOYSA-N -1 3 358.142 3.150 20 0 FGADHM CCOc1c(Cl)cc(C(=O)[N-]c2nc(-c3ccccc3)no2)cc1OC ZINC000588758933 506329692 /nfs/dbraw/zinc/32/96/92/506329692.db2.gz FYFUQPAATOLTBZ-UHFFFAOYSA-N -1 3 373.796 3.472 20 0 FGADHM CCN=c1[n-]c(C(=O)N[C@H](CCc2ccccc2)C(F)(F)F)cs1 ZINC000484720150 502719842 /nfs/dbraw/zinc/71/98/42/502719842.db2.gz RMOWDODQDBJNJJ-CYBMUJFWSA-N -1 3 357.401 3.290 20 0 FGADHM COCc1ccccc1NC(=O)Cc1ccc(Br)cc1[O-] ZINC000477260898 502722159 /nfs/dbraw/zinc/72/21/59/502722159.db2.gz PHZXZXJKZGHXCT-UHFFFAOYSA-N -1 3 350.212 3.482 20 0 FGADHM COc1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)c2ccncc2)c(F)c1 ZINC000481066076 502745631 /nfs/dbraw/zinc/74/56/31/502745631.db2.gz ZLAIUUHSQCLXKW-IBGZPJMESA-N -1 3 372.421 3.297 20 0 FGADHM CS[C@@H]1CCC[C@H](NC(=O)Cc2ccc(Br)cc2[O-])C1 ZINC000477376779 502758361 /nfs/dbraw/zinc/75/83/61/502758361.db2.gz USHUJQIFPIVKBM-QWHCGFSZSA-N -1 3 358.301 3.488 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]C2(c3ccc4c(c3)OCO4)CC2)sc1Cl ZINC000473958052 502763040 /nfs/dbraw/zinc/76/30/40/502763040.db2.gz RWKXTIUZAXYHET-UHFFFAOYSA-N -1 3 371.867 3.406 20 0 FGADHM C[C@H](CC(=O)c1ccco1)NC(=O)Cc1ccc(Br)cc1[O-] ZINC000477406063 502766086 /nfs/dbraw/zinc/76/60/86/502766086.db2.gz PMNZGRAGOPVKFX-SNVBAGLBSA-N -1 3 366.211 3.068 20 0 FGADHM CC[C@H](CNC(=O)c1cc(=O)c2ccccc2[n-]1)Oc1ccccc1C ZINC000488653388 502774737 /nfs/dbraw/zinc/77/47/37/502774737.db2.gz IDVYRPBJWBHERC-OAHLLOKOSA-N -1 3 350.418 3.424 20 0 FGADHM Cc1cccc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2cnn(-c3ccccc3)c2)c1F ZINC000481203211 502781856 /nfs/dbraw/zinc/78/18/56/502781856.db2.gz DNQALZYXNWBPPL-DLBZAZTESA-N -1 3 371.437 3.154 20 0 FGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(OCC(F)F)cc1 ZINC000481215228 502785717 /nfs/dbraw/zinc/78/57/17/502785717.db2.gz 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CC[C@H](C)C[C@H](C)NC(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000493816218 503448294 /nfs/dbraw/zinc/44/82/94/503448294.db2.gz YTZFEMIZOHJBLE-RYUDHWBXSA-N -1 3 371.478 3.213 20 0 FGADHM COC(=O)c1cc(S(=O)(=O)[N-][C@H](C)c2ccccc2SC)oc1C ZINC000499643759 503448900 /nfs/dbraw/zinc/44/89/00/503448900.db2.gz RJLQEYNAUZTVRZ-SNVBAGLBSA-N -1 3 369.464 3.136 20 0 FGADHM COC(=O)CCS(=O)(=O)[N-]c1cc(-c2ccccc2)ccc1Cl ZINC000516123993 503450564 /nfs/dbraw/zinc/45/05/64/503450564.db2.gz ZNCHOOWELWVYQL-UHFFFAOYSA-N -1 3 353.827 3.312 20 0 FGADHM C[C@H]1OCC[C@@]1(C)[N-]S(=O)(=O)c1cc(Cl)ccc1OCCC1CC1 ZINC000493895105 503454705 /nfs/dbraw/zinc/45/47/05/503454705.db2.gz UMJDTEVSCMZBFX-SJKOYZFVSA-N -1 3 373.902 3.365 20 0 FGADHM COCC1(C[N-]S(=O)(=O)c2cc(Cl)c(OC)cc2Cl)CCC1 ZINC000499739637 503471068 /nfs/dbraw/zinc/47/10/68/503471068.db2.gz PMNKXQJDIUPTNK-UHFFFAOYSA-N -1 3 368.282 3.097 20 0 FGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@H](C)[C@H]2CCCOC2)cc1Cl ZINC000503814041 503475007 /nfs/dbraw/zinc/47/50/07/503475007.db2.gz KCARIWQBDMEQPI-ZJUUUORDSA-N -1 3 368.282 3.095 20 0 FGADHM Cc1cc(C(=O)N[C@H](Cc2ccc(Cl)cc2)c2ccccn2)[n-]c(=O)n1 ZINC000503838518 503477540 /nfs/dbraw/zinc/47/75/40/503477540.db2.gz DVPGOBIQUBIQEA-MRXNPFEDSA-N -1 3 368.824 3.253 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)[C@H]3Cc4ccccc4S3)[n-]c21 ZINC000494073847 503484018 /nfs/dbraw/zinc/48/40/18/503484018.db2.gz SZVKIEWIDWDBOH-CQSZACIVSA-N -1 3 353.403 3.005 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@H]3Cc4ccccc4S3)nc21 ZINC000494073847 503484021 /nfs/dbraw/zinc/48/40/21/503484021.db2.gz SZVKIEWIDWDBOH-CQSZACIVSA-N -1 3 353.403 3.005 20 0 FGADHM C[C@H]1CCCC[C@@H]1CC[N-]S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC000512201815 503485358 /nfs/dbraw/zinc/48/53/58/503485358.db2.gz YOMMYRQYDQBJFS-QWHCGFSZSA-N -1 3 368.474 3.205 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)[C@H](C)OC3CCCCCC3)[n-]c21 ZINC000494088117 503486112 /nfs/dbraw/zinc/48/61/12/503486112.db2.gz ASVHDBCXBBLSJP-LBPRGKRZSA-N -1 3 359.426 3.416 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@H](C)OC3CCCCCC3)nc21 ZINC000494088117 503486114 /nfs/dbraw/zinc/48/61/14/503486114.db2.gz ASVHDBCXBBLSJP-LBPRGKRZSA-N -1 3 359.426 3.416 20 0 FGADHM C[C@@H]1CCc2sc(C(=O)NCCCNC(=O)c3cccc([O-])c3)cc2C1 ZINC000508397083 503487882 /nfs/dbraw/zinc/48/78/82/503487882.db2.gz JJPQRVFHRIWGNF-CYBMUJFWSA-N -1 3 372.490 3.128 20 0 FGADHM Cc1ccccc1CN1CCN(C(=O)Cc2ccc([O-])cc2Cl)CC1 ZINC000508513230 503509724 /nfs/dbraw/zinc/50/97/24/503509724.db2.gz OQGIILKBRPAILQ-UHFFFAOYSA-N -1 3 358.869 3.241 20 0 FGADHM Cc1cc(C(=O)N2CCN(C(=O)CCCc3ccccc3)CC2)ccc1[O-] ZINC000499914163 503510269 /nfs/dbraw/zinc/51/02/69/503510269.db2.gz ORNUOCDTXKCRBL-UHFFFAOYSA-N -1 3 366.461 3.008 20 0 FGADHM C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)N(C)C1CC1 ZINC000508521927 503512126 /nfs/dbraw/zinc/51/21/26/503512126.db2.gz YHIMFVHDVKAFSS-VIFPVBQESA-N -1 3 370.824 3.120 20 0 FGADHM O=C(N=c1cc(-c2ccncc2)[n-][nH]1)c1cc(-c2ccccc2Cl)on1 ZINC000512295273 503512275 /nfs/dbraw/zinc/51/22/75/503512275.db2.gz OMEFRIGZHLZLIK-UHFFFAOYSA-N -1 3 365.780 3.454 20 0 FGADHM [O-]c1cccc(CN2CCC(CCCN3CCOCC3)CC2)c1Cl ZINC000512332969 503521683 /nfs/dbraw/zinc/52/16/83/503521683.db2.gz DFPUPSAHQDKOFT-UHFFFAOYSA-N -1 3 352.906 3.370 20 0 FGADHM COc1ccc(C[C@@H](C)C(=O)N=c2cc(-c3ccccc3)[n-][nH]2)cc1OC ZINC000512348332 503525813 /nfs/dbraw/zinc/52/58/13/503525813.db2.gz UKOOANUBAOPEAX-CQSZACIVSA-N -1 3 365.433 3.333 20 0 FGADHM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-][C@H](C)CCCC(F)(F)F ZINC000494330409 503526567 /nfs/dbraw/zinc/52/65/67/503526567.db2.gz MNEPVGHLDKPATE-SECBINFHSA-N -1 3 371.352 3.012 20 0 FGADHM COc1ccc([O-])c(C(=O)NCCc2ccc(OC(F)(F)F)cc2)c1 ZINC000500013649 503533524 /nfs/dbraw/zinc/53/35/24/503533524.db2.gz LRDFACXTQYGIKB-UHFFFAOYSA-N -1 3 355.312 3.272 20 0 FGADHM COC(=O)c1cc(S(=O)(=O)[N-]Cc2ccc(C3CCC3)cc2)c(C)o1 ZINC000494411506 503538209 /nfs/dbraw/zinc/53/82/09/503538209.db2.gz NZXOJDKVTXWVKE-UHFFFAOYSA-N -1 3 363.435 3.121 20 0 FGADHM Cc1nc(C2([N-]S(=O)(=O)c3cccc(F)c3C)CCCCCC2)no1 ZINC000608019738 506378196 /nfs/dbraw/zinc/37/81/96/506378196.db2.gz OTLWOVTWMODFQS-UHFFFAOYSA-N -1 3 367.446 3.354 20 0 FGADHM O=C(c1c[n-]c2c(F)cc(F)cc2c1=O)N1CCOC[C@@H]1c1ccccc1 ZINC000500117405 503557488 /nfs/dbraw/zinc/55/74/88/503557488.db2.gz ASGYCBTXXYSVMI-QGZVFWFLSA-N -1 3 370.355 3.020 20 0 FGADHM Cc1cc(=NC(=O)c2cccc([O-])c2)[nH]n1CCCOc1ccc(F)cc1 ZINC000508834253 503573460 /nfs/dbraw/zinc/57/34/60/503573460.db2.gz LBDUXNUVXOHACC-UHFFFAOYSA-N -1 3 369.396 3.180 20 0 FGADHM COCCCn1c(=O)[n-]nc1SCCOc1cccc(C(C)(C)C)c1 ZINC000504515930 503583076 /nfs/dbraw/zinc/58/30/76/503583076.db2.gz OZWGPWYOGHTYOX-UHFFFAOYSA-N -1 3 365.499 3.489 20 0 FGADHM CC1(C)CCC[C@](O)(CNC(=O)Cc2ccc(Br)cc2[O-])C1 ZINC000504551861 503587257 /nfs/dbraw/zinc/58/72/57/503587257.db2.gz GVLYQHOXYGNMIA-QGZVFWFLSA-N -1 3 370.287 3.145 20 0 FGADHM CC(C)O[C@@H]1C[C@@H](NC(=O)Cc2ccc(Br)cc2[O-])C1(C)C ZINC000500262757 503591414 /nfs/dbraw/zinc/59/14/14/503591414.db2.gz OWLMUMJTNFGCMV-HUUCEWRRSA-N -1 3 370.287 3.406 20 0 FGADHM COC(=O)c1ccccc1S(=O)(=O)[N-]c1cc(C)c(OC)cc1Cl ZINC000516806111 503591449 /nfs/dbraw/zinc/59/14/49/503591449.db2.gz MGAKMIPRKFJMHM-UHFFFAOYSA-N -1 3 369.826 3.244 20 0 FGADHM COC(=O)c1ccsc1[N-]C(=O)C(=O)N1C[C@@H](C)C[C@H]1c1ccccc1 ZINC000509006307 503617500 /nfs/dbraw/zinc/61/75/00/503617500.db2.gz YAAYMGCGFVLORA-WFASDCNBSA-N -1 3 372.446 3.083 20 0 FGADHM CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1cc(-c2nc(C)no2)ccc1C ZINC000516920470 503618984 /nfs/dbraw/zinc/61/89/84/503618984.db2.gz FDQWSLCWBTVARO-OAHLLOKOSA-N -1 3 367.471 3.156 20 0 FGADHM COCC[C@@H](C)[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000500425099 503621663 /nfs/dbraw/zinc/62/16/63/503621663.db2.gz WTHIBVHFLIXIFG-SNVBAGLBSA-N -1 3 360.888 3.167 20 0 FGADHM COc1ccc([O-])c(C(=O)N2C[C@@H](C)N(Cc3ccccc3)C[C@H]2C)c1 ZINC000500434669 503623535 /nfs/dbraw/zinc/62/35/35/503623535.db2.gz GNGBMOVUULIADX-HZPDHXFCSA-N -1 3 354.450 3.136 20 0 FGADHM 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ZINC000543260694 503703476 /nfs/dbraw/zinc/70/34/76/503703476.db2.gz CWKGVJPPXYJWKK-LBPRGKRZSA-N -1 3 366.483 3.066 20 0 FGADHM C[C@H]1CN(C(=O)c2ccc(C(=O)c3cccc([O-])c3)cc2)C[C@H](C2CC2)O1 ZINC000527185642 503711310 /nfs/dbraw/zinc/71/13/10/503711310.db2.gz PIWZJLGXBAOAOH-VBKZILBWSA-N -1 3 365.429 3.263 20 0 FGADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N1CCC[C@H](Cc2ccccc2)C1 ZINC000517317821 503712915 /nfs/dbraw/zinc/71/29/15/503712915.db2.gz OLCQIRYDZJHIOU-OAHLLOKOSA-N -1 3 363.417 3.057 20 0 FGADHM Cc1nc(-c2cccs2)sc1C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000527208734 503720538 /nfs/dbraw/zinc/72/05/38/503720538.db2.gz WQKALTGNIRGZMD-NSHDSACASA-N -1 3 360.464 3.429 20 0 FGADHM COc1ccc2c(c1)[n-]cc(C(=O)N1CC[C@@H](c3ccc(C)cc3)C1)c2=O ZINC000543385203 503747179 /nfs/dbraw/zinc/74/71/79/503747179.db2.gz PZHHXRVLOJBVRR-MRXNPFEDSA-N -1 3 362.429 3.475 20 0 FGADHM COc1ccccc1C1(C[N-]S(=O)(=O)c2cnc(C)s2)CCCC1 ZINC000533174221 503749162 /nfs/dbraw/zinc/74/91/62/503749162.db2.gz QQWTTYTYBXZCBA-UHFFFAOYSA-N -1 3 366.508 3.250 20 0 FGADHM Cc1ncc(S(=O)(=O)[N-]Cc2nc3cc(Cl)ccc3s2)s1 ZINC000533174254 503749651 /nfs/dbraw/zinc/74/96/51/503749651.db2.gz UGJXJOFFRYRRNK-UHFFFAOYSA-N -1 3 359.885 3.193 20 0 FGADHM Cc1ccc([O-])c(NC(=O)CCCCCC(=O)Nc2nc(C)ccc2O)n1 ZINC000543391981 503750445 /nfs/dbraw/zinc/75/04/45/503750445.db2.gz DOXVLQQIWUQUBF-UHFFFAOYSA-N -1 3 372.425 3.032 20 0 FGADHM COC(=O)CCC1CCN(C(=O)CCCc2ccc([O-])c(F)c2)CC1 ZINC000527293861 503755664 /nfs/dbraw/zinc/75/56/64/503755664.db2.gz VWKWURFLFPOLCB-UHFFFAOYSA-N -1 3 351.418 3.046 20 0 FGADHM O=S(=O)([N-]C[C@@H]1CCOc2ccccc21)c1cccc(Cl)c1F ZINC000517497136 503757645 /nfs/dbraw/zinc/75/76/45/503757645.db2.gz YRXGDSHQZDJEPQ-NSHDSACASA-N -1 3 355.818 3.324 20 0 FGADHM Cc1cccc(O[C@H]2CCCC[C@@H]2NC(=O)c2cccc3nn[n-]c32)c1 ZINC000527365846 503778209 /nfs/dbraw/zinc/77/82/09/503778209.db2.gz FWENCSSXXWCPLW-WMZOPIPTSA-N -1 3 350.422 3.386 20 0 FGADHM Cc1cccc(O[C@H]2CCCC[C@@H]2NC(=O)c2cccc3[n-]nnc32)c1 ZINC000527365846 503778218 /nfs/dbraw/zinc/77/82/18/503778218.db2.gz FWENCSSXXWCPLW-WMZOPIPTSA-N -1 3 350.422 3.386 20 0 FGADHM Cc1cccc(O[C@H]2CCCC[C@@H]2NC(=O)c2cccc3n[n-]nc32)c1 ZINC000527365846 503778223 /nfs/dbraw/zinc/77/82/23/503778223.db2.gz FWENCSSXXWCPLW-WMZOPIPTSA-N -1 3 350.422 3.386 20 0 FGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@@H](C)c3ccon3)s2)cs1 ZINC000540472663 503781843 /nfs/dbraw/zinc/78/18/43/503781843.db2.gz ZZTMQRLNGMSYKY-QMMMGPOBSA-N -1 3 355.466 3.208 20 0 FGADHM CC(C)CCS(=O)(=O)[N-][C@@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC000517602275 503782964 /nfs/dbraw/zinc/78/29/64/503782964.db2.gz RZKITFLNMDZUJP-IBGZPJMESA-N -1 3 374.506 3.202 20 0 FGADHM C[C@@H](c1ccccc1)N1CCC(NC(=O)N=c2ccc(C3CC3)n[n-]2)CC1 ZINC000533306950 503799748 /nfs/dbraw/zinc/79/97/48/503799748.db2.gz GOAJBRAEDURLQE-HNNXBMFYSA-N -1 3 365.481 3.123 20 0 FGADHM CCc1ccc([O-])c(C(=O)N[C@@H](C)C2CCN(CC(F)(F)F)CC2)c1 ZINC000527469392 503799965 /nfs/dbraw/zinc/79/99/65/503799965.db2.gz YFLAYJTWTZGATC-LBPRGKRZSA-N -1 3 358.404 3.347 20 0 FGADHM CCCn1c(=O)[n-]c(=O)c2c(C(=O)N(C)C(C)(C)CC)cc(C(C)C)nc21 ZINC000527480505 503804161 /nfs/dbraw/zinc/80/41/61/503804161.db2.gz PXAWFZMOOXNNHW-UHFFFAOYSA-N -1 3 374.485 3.291 20 0 FGADHM C[C@@H](CN(C)C(=O)c1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1)C1CCCCC1 ZINC000530038042 503809268 /nfs/dbraw/zinc/80/92/68/503809268.db2.gz JLRWXMVICWKPPN-LHSJRXKWSA-N -1 3 371.481 3.030 20 0 FGADHM Cc1nc([N-]C(=O)c2noc3c2COCC3)sc1Cc1cccc(F)c1 ZINC000527596290 503848028 /nfs/dbraw/zinc/84/80/28/503848028.db2.gz AXPNIVYEVFQTCX-UHFFFAOYSA-N -1 3 373.409 3.494 20 0 FGADHM O=C([O-])[C@@H]1c2ccoc2CCN1CCc1nc(-c2cccc(Cl)c2)no1 ZINC000530166183 503861832 /nfs/dbraw/zinc/86/18/32/503861832.db2.gz LRVOPJNXYFTLCF-INIZCTEOSA-N -1 3 373.796 3.210 20 0 FGADHM O=C([O-])c1ccc(F)c2c1CN(CCc1nc(-c3ccccc3)no1)CC2 ZINC000530169803 503862402 /nfs/dbraw/zinc/86/24/02/503862402.db2.gz VBVWVAPXSUTFLE-UHFFFAOYSA-N -1 3 367.380 3.175 20 0 FGADHM CC[C@@H](C[N-]S(=O)(=O)Cc1ccc(F)cc1F)Oc1ccccc1F ZINC000543726308 503868377 /nfs/dbraw/zinc/86/83/77/503868377.db2.gz XIMBHVXOTXHNJA-AWEZNQCLSA-N -1 3 373.396 3.381 20 0 FGADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)Nc1cccc(C2CCOCC2)c1 ZINC000530199249 503872730 /nfs/dbraw/zinc/87/27/30/503872730.db2.gz ZWFGOJWTMGNJQO-UHFFFAOYSA-N -1 3 365.389 3.108 20 0 FGADHM CCCCOc1ncccc1C[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000517963737 503876506 /nfs/dbraw/zinc/87/65/06/503876506.db2.gz TXNLCLSDWSLZSZ-UHFFFAOYSA-N -1 3 374.384 3.156 20 0 FGADHM O=C(Nc1cncc2ccccc21)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000543746477 503876997 /nfs/dbraw/zinc/87/69/97/503876997.db2.gz UDNVABCBJOZXPP-GOSISDBHSA-N -1 3 361.401 3.184 20 0 FGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccccc2CO)c1Cl ZINC000533554230 503887005 /nfs/dbraw/zinc/88/70/05/503887005.db2.gz LLJBGLSAKFIPKM-UHFFFAOYSA-N -1 3 360.262 3.273 20 0 FGADHM O=S(=O)(C[C@H]1CCCO1)[N-]c1ccccc1Nc1ccc(F)cc1 ZINC000537396036 503901134 /nfs/dbraw/zinc/90/11/34/503901134.db2.gz SOMSIZMAKHIYCU-OAHLLOKOSA-N -1 3 350.415 3.490 20 0 FGADHM CC(C)[C@H]1CN(C(=O)c2c([O-])cccc2O)CCN1Cc1ccccc1 ZINC000530273816 503903604 /nfs/dbraw/zinc/90/36/04/503903604.db2.gz OHCOOVNXCLVLIF-QGZVFWFLSA-N -1 3 354.450 3.080 20 0 FGADHM Cc1cc(CNc2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)ccn1 ZINC000527705629 503905297 /nfs/dbraw/zinc/90/52/97/503905297.db2.gz PLTNDVSYKFDMFL-UHFFFAOYSA-N -1 3 351.447 3.218 20 0 FGADHM Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N=c1cc(-c2cccnc2)[n-][nH]1 ZINC000533675535 503918793 /nfs/dbraw/zinc/91/87/93/503918793.db2.gz ZOUWQFZTRSHHBJ-LBPRGKRZSA-N -1 3 356.813 3.261 20 0 FGADHM Cc1nc(CNC(=O)CCCc2ccc([O-])c(F)c2)nc2ccccc12 ZINC000530331085 503928814 /nfs/dbraw/zinc/92/88/14/503928814.db2.gz QQROHKXWEXRVCR-UHFFFAOYSA-N -1 3 353.397 3.422 20 0 FGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)[C@@H](C)c2ccccc2)c(F)c1 ZINC000530377261 503941930 /nfs/dbraw/zinc/94/19/30/503941930.db2.gz QYTOURODFGJNNV-CHWSQXEVSA-N -1 3 365.426 3.083 20 0 FGADHM CCOc1cc(-c2nc(-c3ccc([N-]S(C)(=O)=O)cc3)no2)ccc1C ZINC000547008372 503954528 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/nfs/dbraw/zinc/57/22/74/504572274.db2.gz AZAPCOGRNINERT-UHFFFAOYSA-N -1 3 361.333 3.107 20 0 FGADHM Cc1nc(-c2ccc(NC(=O)N3CCOC4(CCCC4)C3)cc2)cc(=O)[n-]1 ZINC000532210149 504574146 /nfs/dbraw/zinc/57/41/46/504574146.db2.gz QOYFSBXBDPCVIF-UHFFFAOYSA-N -1 3 368.437 3.335 20 0 FGADHM COc1ccc([O-])c(C(=O)N[C@@H]2C[C@H]2c2cccc(Br)c2)c1 ZINC000520772864 504578444 /nfs/dbraw/zinc/57/84/44/504578444.db2.gz JMCRSMABNYWPCX-DZGCQCFKSA-N -1 3 362.223 3.449 20 0 FGADHM Cc1nnc([C@@H](C)NC(=O)c2cc(CCc3ccccc3)ccc2[O-])o1 ZINC000532281405 504598363 /nfs/dbraw/zinc/59/83/63/504598363.db2.gz AVWBMCHZYGOKEI-CYBMUJFWSA-N -1 3 351.406 3.360 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)c1 ZINC000539588445 504618326 /nfs/dbraw/zinc/61/83/26/504618326.db2.gz OVAKYOMNHBSQAV-OAHLLOKOSA-N -1 3 373.840 3.013 20 0 FGADHM CC(C)Oc1ccc(CC[C@H](C)NC(=O)c2cccc3nn[n-]c32)cc1 ZINC000542821316 504624742 /nfs/dbraw/zinc/62/47/42/504624742.db2.gz KFFYXCNXXFIJKH-AWEZNQCLSA-N -1 3 352.438 3.496 20 0 FGADHM CC(C)Oc1ccc(CC[C@H](C)NC(=O)c2cccc3[n-]nnc32)cc1 ZINC000542821316 504624748 /nfs/dbraw/zinc/62/47/48/504624748.db2.gz KFFYXCNXXFIJKH-AWEZNQCLSA-N -1 3 352.438 3.496 20 0 FGADHM CC(C)Oc1ccc(CC[C@H](C)NC(=O)c2cccc3n[n-]nc32)cc1 ZINC000542821316 504624752 /nfs/dbraw/zinc/62/47/52/504624752.db2.gz KFFYXCNXXFIJKH-AWEZNQCLSA-N -1 3 352.438 3.496 20 0 FGADHM CCc1ncc(S(=O)(=O)[N-]C[C@H]2SCCc3ccccc32)s1 ZINC000545891159 504628350 /nfs/dbraw/zinc/62/83/50/504628350.db2.gz ASKATZKXIFIERW-CYBMUJFWSA-N -1 3 354.522 3.014 20 0 FGADHM COc1ccc(Cl)cc1CC(=O)Nc1n[n-]c(-c2ccccc2F)n1 ZINC000521019314 504630799 /nfs/dbraw/zinc/63/07/99/504630799.db2.gz NOPBLJPCEHFHRJ-UHFFFAOYSA-N -1 3 360.776 3.454 20 0 FGADHM O=C(Nc1nnc(-c2ccccn2)[n-]1)c1ccccc1Oc1ccncc1 ZINC000548945046 504631027 /nfs/dbraw/zinc/63/10/27/504631027.db2.gz YSOZSBIEAXEYJH-UHFFFAOYSA-N -1 3 358.361 3.306 20 0 FGADHM O=C(Nc1nc(-c2ccccn2)n[n-]1)c1ccccc1Oc1ccncc1 ZINC000548945046 504631030 /nfs/dbraw/zinc/63/10/30/504631030.db2.gz 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ZINC000539640915 504636708 /nfs/dbraw/zinc/63/67/08/504636708.db2.gz BFVQDXUOZONABK-LLVKDONJSA-N -1 3 367.409 3.078 20 0 FGADHM COc1cc(Cl)c(S(=O)(=O)[N-]C[C@H]2CCO[C@@H](C)C2)cc1Cl ZINC000536120723 504639210 /nfs/dbraw/zinc/63/92/10/504639210.db2.gz DQQXVQABGHBVLR-UWVGGRQHSA-N -1 3 368.282 3.095 20 0 FGADHM CC[C@@H](C)Oc1cc(C(=O)Nc2nc3cccc(C(=O)OC)c3[n-]2)ccn1 ZINC000539663973 504644206 /nfs/dbraw/zinc/64/42/06/504644206.db2.gz BQWCLYLWXJKDAB-LLVKDONJSA-N -1 3 368.393 3.174 20 0 FGADHM CC[C@@H](C)Oc1cc(C(=O)Nc2nc3c(cccc3C(=O)OC)[n-]2)ccn1 ZINC000539663973 504644209 /nfs/dbraw/zinc/64/42/09/504644209.db2.gz BQWCLYLWXJKDAB-LLVKDONJSA-N -1 3 368.393 3.174 20 0 FGADHM O=C(CCCC(F)(F)F)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000536150580 504649802 /nfs/dbraw/zinc/64/98/02/504649802.db2.gz LRLXNHOMOWNLDT-UHFFFAOYSA-N -1 3 358.360 3.302 20 0 FGADHM C[C@](O)(C1CCN(C(=O)c2ccc3c(c2[O-])CCCC3)CC1)C(F)(F)F ZINC000545955628 504653772 /nfs/dbraw/zinc/65/37/72/504653772.db2.gz LIUPMRQEIDFIGD-SFHVURJKSA-N -1 3 371.399 3.437 20 0 FGADHM Cn1cc(-c2ccc(F)c(C(=O)[N-]c3nnc(C(F)(F)F)s3)c2)cn1 ZINC000542937045 504665651 /nfs/dbraw/zinc/66/56/51/504665651.db2.gz YYCXHEJTXFZHKM-UHFFFAOYSA-N -1 3 371.319 3.349 20 0 FGADHM C[C@@]1(c2cccc(C(=O)Nc3ccc(F)c(C4CC4)c3)c2)NC(=O)[N-]C1=O ZINC000545993921 504667505 /nfs/dbraw/zinc/66/75/05/504667505.db2.gz BDSFDEKCDHLTEW-FQEVSTJZSA-N -1 3 367.380 3.010 20 0 FGADHM Cc1cc([N-]C(=O)[C@@H](C)S(=O)(=O)c2ccc(Cl)cc2Cl)on1 ZINC000549095891 504683925 /nfs/dbraw/zinc/68/39/25/504683925.db2.gz TXIDVYTYOSKFLM-MRVPVSSYSA-N -1 3 363.222 3.091 20 0 FGADHM Cc1cc([N-]S(=O)(=O)c2ccc(CC(C)C)cc2)ccc1OCCO ZINC000542983649 504684315 /nfs/dbraw/zinc/68/43/15/504684315.db2.gz OCGFJQVJRVREDT-UHFFFAOYSA-N -1 3 363.479 3.365 20 0 FGADHM CO[C@@H]1C[C@@H](N(C)C(=O)c2cc([O-])cc(Br)c2)C12CCC2 ZINC000529463137 504685552 /nfs/dbraw/zinc/68/55/52/504685552.db2.gz IPGDFKDIYBSYOR-ZIAGYGMSSA-N -1 3 354.244 3.184 20 0 FGADHM Cc1nc(C)c(CC(=O)Nc2cc(F)c(OC(C)(C)C)c(F)c2)c(=O)[n-]1 ZINC000543002320 504689070 /nfs/dbraw/zinc/68/90/70/504689070.db2.gz YOTNCPZXWGNNQH-UHFFFAOYSA-N -1 3 365.380 3.436 20 0 FGADHM Cc1cc2c(ncnc2N2CCC[C@H]2C(=O)Nc2ccc([O-])cc2F)s1 ZINC000543027431 504695483 /nfs/dbraw/zinc/69/54/83/504695483.db2.gz WEZBEDNOHJYPEF-HNNXBMFYSA-N -1 3 372.425 3.452 20 0 FGADHM COc1ccc([O-])c(C(=O)N[C@H](C)Cc2cc(C)nn2-c2ccccc2)c1 ZINC000532590735 504704023 /nfs/dbraw/zinc/70/40/23/504704023.db2.gz TYUIWOOBPNKKPE-CQSZACIVSA-N -1 3 365.433 3.256 20 0 FGADHM CCc1ccc([O-])c(C(=O)Nc2cnn(-c3cnc4ccccc4n3)c2)c1 ZINC000536350882 504706935 /nfs/dbraw/zinc/70/69/35/504706935.db2.gz ZDUAXFUOLGRXFH-UHFFFAOYSA-N -1 3 359.389 3.336 20 0 FGADHM CC[C@@]1(C[N-]S(=O)(=O)c2ccc(F)c(F)c2)OCCc2ccccc21 ZINC000521319049 504708506 /nfs/dbraw/zinc/70/85/06/504708506.db2.gz YVCDRVRVYOCDKI-SFHVURJKSA-N -1 3 367.417 3.121 20 0 FGADHM Cc1ccc([O-])c(C(=O)NC[C@@H](CO)Cc2ccc(C(F)(F)F)cc2)c1 ZINC000532680738 504734727 /nfs/dbraw/zinc/73/47/27/504734727.db2.gz PUOQNDPRMTVMEZ-AWEZNQCLSA-N -1 3 367.367 3.300 20 0 FGADHM CN(C)c1nc(C(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)cc(=O)[n-]1 ZINC000549236348 504734825 /nfs/dbraw/zinc/73/48/25/504734825.db2.gz DZYGQQOBKHNXAM-SFHVURJKSA-N -1 3 374.444 3.036 20 0 FGADHM C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000549240301 504735274 /nfs/dbraw/zinc/73/52/74/504735274.db2.gz WZHRDJJCAZMABN-VIFPVBQESA-N -1 3 369.252 3.388 20 0 FGADHM CCOC(=O)c1ccc(NC(=O)COc2ccc(F)c(Cl)c2)c([O-])c1 ZINC000540027209 504762243 /nfs/dbraw/zinc/76/22/43/504762243.db2.gz CIEJKWYZPGGXFD-UHFFFAOYSA-N -1 3 367.760 3.379 20 0 FGADHM C[C@H](CNC(=O)c1cccc(Br)c1[O-])N1CCC[C@@H](C)C1 ZINC000521610109 504763982 /nfs/dbraw/zinc/76/39/82/504763982.db2.gz AICHPCBXHFVGIO-VXGBXAGGSA-N -1 3 355.276 3.005 20 0 FGADHM COC(=O)c1cc(S(=O)(=O)[N-]CCc2ccc3ccccc3c2)c(C)o1 ZINC000532854095 504767603 /nfs/dbraw/zinc/76/76/03/504767603.db2.gz CCUHXSJAYJLBTL-UHFFFAOYSA-N -1 3 373.430 3.049 20 0 FGADHM CCOC(=O)c1ccc(NC(=O)[C@](C)(O)[C@@H](C)c2ccccc2)c([O-])c1 ZINC000536618616 504770180 /nfs/dbraw/zinc/77/01/80/504770180.db2.gz GBUITSJGEFKPJT-RNODOKPDSA-N -1 3 357.406 3.062 20 0 FGADHM CC(C)(C)OCC[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000562359605 504794397 /nfs/dbraw/zinc/79/43/97/504794397.db2.gz KRTNDPQIJILZCL-UHFFFAOYSA-N -1 3 370.696 3.196 20 0 FGADHM O=C(CCc1cc(Br)ccc1F)N=c1cc2ccccn2[n-]1 ZINC000552999867 504801834 /nfs/dbraw/zinc/80/18/34/504801834.db2.gz VVUXHRYYUWRJMH-UHFFFAOYSA-N -1 3 362.202 3.229 20 0 FGADHM COC(=O)c1nc[n-]c1NC(=O)CCc1ncc(-c2ccccc2Cl)o1 ZINC000559237204 504805926 /nfs/dbraw/zinc/80/59/26/504805926.db2.gz VBDLHJFZZLPHJK-UHFFFAOYSA-N -1 3 374.784 3.076 20 0 FGADHM COC(=O)c1[n-]cnc1NC(=O)CCc1ncc(-c2ccccc2Cl)o1 ZINC000559237204 504805930 /nfs/dbraw/zinc/80/59/30/504805930.db2.gz VBDLHJFZZLPHJK-UHFFFAOYSA-N -1 3 374.784 3.076 20 0 FGADHM COc1cc2c(cc1F)[n-]cc(C(=O)N1CCC(C(F)(F)F)CC1)c2=O ZINC000559278608 504818131 /nfs/dbraw/zinc/81/81/31/504818131.db2.gz YZVQYLNOCVZIOI-UHFFFAOYSA-N -1 3 372.318 3.090 20 0 FGADHM O=C(Cc1cncc([O-])c1)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000565216487 504827933 /nfs/dbraw/zinc/82/79/33/504827933.db2.gz XNTCOKWOHMYHHE-UHFFFAOYSA-N -1 3 373.884 3.012 20 0 FGADHM Cc1cccc2sc([N-]S(=O)(=O)c3ccc(CN(C)C)cc3)nc21 ZINC000556305800 504841086 /nfs/dbraw/zinc/84/10/86/504841086.db2.gz NSQQPBFYXBQQQR-UHFFFAOYSA-N -1 3 361.492 3.467 20 0 FGADHM C[C@@H]1COCC[C@@H]1CNC(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000553188834 504848294 /nfs/dbraw/zinc/84/82/94/504848294.db2.gz NVBBVUFSZPWDMC-RDTXWAMCSA-N -1 3 353.418 3.026 20 0 FGADHM O=C(Nc1ncc(Cc2ccccc2)s1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000553224821 504856575 /nfs/dbraw/zinc/85/65/75/504856575.db2.gz RNHGTTCURJTXRQ-UHFFFAOYSA-N -1 3 352.419 3.359 20 0 FGADHM O=C1NCCN(Cc2cc([O-])cc(C(F)(F)F)c2)[C@H]1c1cccs1 ZINC000565334778 504856852 /nfs/dbraw/zinc/85/68/52/504856852.db2.gz CNURYZOEACBTTJ-AWEZNQCLSA-N -1 3 356.369 3.146 20 0 FGADHM COc1ccc(-c2csc(NC(=O)Cc3cncc([O-])c3)n2)cc1F ZINC000553227233 504857793 /nfs/dbraw/zinc/85/77/93/504857793.db2.gz 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COc1cccc2c1n[n-]c2C(=O)Nc1ccc(C)c(NC(=O)N(C)C)c1 ZINC000554893073 505292718 /nfs/dbraw/zinc/29/27/18/505292718.db2.gz MZYRPAYQVSDJNE-UHFFFAOYSA-N -1 3 367.409 3.226 20 0 FGADHM COc1cccc2c(C(=O)Nc3ccc(C)c(NC(=O)N(C)C)c3)n[n-]c21 ZINC000554893073 505292721 /nfs/dbraw/zinc/29/27/21/505292721.db2.gz MZYRPAYQVSDJNE-UHFFFAOYSA-N -1 3 367.409 3.226 20 0 FGADHM O=C1CN(Cc2cc([O-])cc(C(F)(F)F)c2)CN1Cc1ccccc1 ZINC000566887741 505300721 /nfs/dbraw/zinc/30/07/21/505300721.db2.gz VZOJQFMSYMQPJW-UHFFFAOYSA-N -1 3 350.340 3.213 20 0 FGADHM CCOc1nc2ccc(C(=O)Nc3cccc4c3CCN4C(C)=O)cc2[n-]1 ZINC000566896407 505304364 /nfs/dbraw/zinc/30/43/64/505304364.db2.gz WBZHDVCVVUBQRC-UHFFFAOYSA-N -1 3 364.405 3.123 20 0 FGADHM CCOc1nc2cc(C(=O)Nc3cccc4c3CCN4C(C)=O)ccc2[n-]1 ZINC000566896407 505304366 /nfs/dbraw/zinc/30/43/66/505304366.db2.gz WBZHDVCVVUBQRC-UHFFFAOYSA-N -1 3 364.405 3.123 20 0 FGADHM O=C1CCCc2ccc(S(=O)(=O)[N-]CC(F)(F)c3ccccc3)cc21 ZINC000554952843 505309412 /nfs/dbraw/zinc/30/94/12/505309412.db2.gz 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C[C@H]1CC[C@H]1NC(=O)c1sccc1S(=O)(=O)[N-]C1CCCCCC1 ZINC000561451787 505349990 /nfs/dbraw/zinc/34/99/90/505349990.db2.gz JWANDRGKAUTPIC-GXTWGEPZSA-N -1 3 370.540 3.278 20 0 FGADHM [O-]c1ccc(CCCc2nc(Cn3cnc4ccccc43)no2)cc1F ZINC000558374740 505370266 /nfs/dbraw/zinc/37/02/66/505370266.db2.gz PDIARGHTPSZROT-UHFFFAOYSA-N -1 3 352.369 3.488 20 0 FGADHM C[C@H]1Oc2cc(F)ccc2[C@@H]1[N-]S(=O)(=O)c1cccc2cnccc21 ZINC000561559604 505377429 /nfs/dbraw/zinc/37/74/29/505377429.db2.gz RSZCPNHUGMJIKY-ADLMAVQZSA-N -1 3 358.394 3.174 20 0 FGADHM C[C@@H]1Oc2ccccc2[C@@H]1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000564370994 505398273 /nfs/dbraw/zinc/39/82/73/505398273.db2.gz PPQUUJUYAFLLCT-ISVAXAHUSA-N -1 3 374.281 3.311 20 0 FGADHM Cc1nc(C)c(CC(=O)N(C)[C@H]2C[C@H](Oc3ccccc3)C2(C)C)c(=O)[n-]1 ZINC000561642558 505398348 /nfs/dbraw/zinc/39/83/48/505398348.db2.gz XXHCKCPQBTVHKZ-ROUUACIJSA-N -1 3 369.465 3.046 20 0 FGADHM COc1ccc(C(=O)N2CCN(c3cccc(Cl)c3)C[C@H]2C)c([O-])c1 ZINC000564399103 505407543 /nfs/dbraw/zinc/40/75/43/505407543.db2.gz NIQOZUJKWQVRET-CYBMUJFWSA-N -1 3 360.841 3.405 20 0 FGADHM CCOC(=O)C(C)(C)N(C)C(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000561719030 505417437 /nfs/dbraw/zinc/41/74/37/505417437.db2.gz QQYRWMCTTUZAQR-UHFFFAOYSA-N -1 3 369.417 3.037 20 0 FGADHM O=C(NC[C@@H]1CCCCN1C(=O)c1cc([O-])ccc1Cl)c1ccccc1 ZINC000558542764 505419844 /nfs/dbraw/zinc/41/98/44/505419844.db2.gz AKIQRBJSXHKULV-HNNXBMFYSA-N -1 3 372.852 3.470 20 0 FGADHM CCC(CC)(OC)c1noc([C@H](C)[N-]S(=O)(=O)c2ccc(C)cc2)n1 ZINC000564442673 505420761 /nfs/dbraw/zinc/42/07/61/505420761.db2.gz JBEKPUCNPWFACL-ZDUSSCGKSA-N -1 3 367.471 3.079 20 0 FGADHM COC(=O)c1cc(C(=O)Nc2cccc(Cl)c2OCC(F)F)c[n-]1 ZINC000552196103 505426761 /nfs/dbraw/zinc/42/67/61/505426761.db2.gz SCFFFHIRVYLSTL-UHFFFAOYSA-N -1 3 358.728 3.351 20 0 FGADHM CO[C@@H](C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C1CC1 ZINC000555418593 505428565 /nfs/dbraw/zinc/42/85/65/505428565.db2.gz KYDGDJRCWLCKJQ-NSHDSACASA-N -1 3 357.781 3.062 20 0 FGADHM CCc1cc(C[N-]S(=O)(=O)c2cccc(-c3nc(C)cs3)c2)on1 ZINC000558584507 505430873 /nfs/dbraw/zinc/43/08/73/505430873.db2.gz WEYUNJPPNBMRFQ-UHFFFAOYSA-N -1 3 363.464 3.147 20 0 FGADHM CC(C)(C)C(=O)NC1CCC(c2nc(-c3ccc4n[n-]nc4c3)no2)CC1 ZINC000555473312 505439084 /nfs/dbraw/zinc/43/90/84/505439084.db2.gz FGDDXBGPTAHXRH-UHFFFAOYSA-N -1 3 368.441 3.196 20 0 FGADHM Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)Nc1cccc([O-])c1F ZINC000555523480 505445859 /nfs/dbraw/zinc/44/58/59/505445859.db2.gz GBMPVEUGZIDNEW-UHFFFAOYSA-N -1 3 351.687 3.347 20 0 FGADHM Cc1cc(F)cc([C@]2(F)CCN(C(=O)c3c[n-]c4ccncc4c3=O)C2)c1 ZINC000564543647 505447622 /nfs/dbraw/zinc/44/76/22/505447622.db2.gz IAQLJLFMOJZXGF-FQEVSTJZSA-N -1 3 369.371 3.082 20 0 FGADHM COc1ccc2c(c1)CCC[C@@H]2N(C)C(=O)c1cc(F)cc2[n-]nnc21 ZINC000564587659 505462007 /nfs/dbraw/zinc/46/20/07/505462007.db2.gz FNKZGPZRDAAOJX-KRWDZBQOSA-N -1 3 354.385 3.255 20 0 FGADHM COc1ccc2c(c1)CCC[C@@H]2N(C)C(=O)c1cc(F)cc2nn[n-]c21 ZINC000564587659 505462011 /nfs/dbraw/zinc/46/20/11/505462011.db2.gz FNKZGPZRDAAOJX-KRWDZBQOSA-N -1 3 354.385 3.255 20 0 FGADHM COc1ccc2c(c1)CCC[C@@H]2N(C)C(=O)c1cc(F)cc2n[n-]nc21 ZINC000564587659 505462016 /nfs/dbraw/zinc/46/20/16/505462016.db2.gz FNKZGPZRDAAOJX-KRWDZBQOSA-N -1 3 354.385 3.255 20 0 FGADHM O=C(Nc1ccccc1[O-])C1CCN(C(=O)[C@H]2CCCCCC(=O)C2)CC1 ZINC000564623679 505473053 /nfs/dbraw/zinc/47/30/53/505473053.db2.gz GFTSQEGSJGCJLU-INIZCTEOSA-N -1 3 372.465 3.109 20 0 FGADHM O=C(c1cc2c(cc1[O-])CCCC2)N1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000552450058 505495085 /nfs/dbraw/zinc/49/50/85/505495085.db2.gz WKQGTPKVBOQAPN-KDURUIRLSA-N -1 3 362.473 3.479 20 0 FGADHM C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)N1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000567612315 505513758 /nfs/dbraw/zinc/51/37/58/505513758.db2.gz JBGZYLUSECUBRS-ZZLHTRIOSA-N -1 3 372.509 3.116 20 0 FGADHM Cc1nc(-c2ccc(NC(=O)NC[C@H]3CCCSC3)cc2)cc(=O)[n-]1 ZINC000562107013 505519848 /nfs/dbraw/zinc/51/98/48/505519848.db2.gz RCNHPSLHZMEZMX-CYBMUJFWSA-N -1 3 358.467 3.422 20 0 FGADHM CC[C@H](c1n[n-]c(=NC(=O)NCCN(CC)C2CC2)s1)c1ccccc1 ZINC000552656826 505527991 /nfs/dbraw/zinc/52/79/91/505527991.db2.gz WHWFDPRSESKDKO-INIZCTEOSA-N -1 3 373.526 3.108 20 0 FGADHM Cc1nc(C)c(CC(=O)NCCCCc2ccc(Cl)s2)c(=O)[n-]1 ZINC000552661690 505529054 /nfs/dbraw/zinc/52/90/54/505529054.db2.gz ZYCCLPNRBPOFMN-UHFFFAOYSA-N -1 3 353.875 3.196 20 0 FGADHM Cc1cccc(S(=O)(=O)[N-][C@@H]2CCC[C@H](F)C2)c1Br ZINC000564908082 505555138 /nfs/dbraw/zinc/55/51/38/505555138.db2.gz QLVNCDYIQXKINQ-WDEREUQCSA-N -1 3 350.253 3.317 20 0 FGADHM COc1ccc(C2(c3nc(-c4cc(=O)[n-]cn4)no3)CCCC2)cc1OC ZINC000564961473 505563662 /nfs/dbraw/zinc/56/36/62/505563662.db2.gz WCLHCMDPDSGPFK-UHFFFAOYSA-N -1 3 368.393 3.110 20 0 FGADHM O=C([O-])CCN(CCc1cscn1)Cc1cccc(Br)c1 ZINC000582732439 506388463 /nfs/dbraw/zinc/38/84/63/506388463.db2.gz YNGNRLMIIGLYDK-UHFFFAOYSA-N -1 3 369.284 3.425 20 0 FGADHM CC1(C)[C@@H](O)C[C@@H]1NCc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[n-]1 ZINC000582734242 506389637 /nfs/dbraw/zinc/38/96/37/506389637.db2.gz UZHZAJHCSFAUTI-GJZGRUSLSA-N -1 3 373.453 3.040 20 0 FGADHM CO[C@H](C[N-]S(=O)(=O)Cc1cc(-c2ccccc2)no1)c1ccccc1 ZINC000608049312 506395548 /nfs/dbraw/zinc/39/55/48/506395548.db2.gz LROPERAYCFXCOH-LJQANCHMSA-N -1 3 372.446 3.149 20 0 FGADHM Cc1cccc(F)c1S(=O)(=O)[N-][C@@H](c1cccs1)C(C)(C)CO ZINC000582754689 506399206 /nfs/dbraw/zinc/39/92/06/506399206.db2.gz MZRZGZVGMXYKIK-HNNXBMFYSA-N -1 3 357.472 3.234 20 0 FGADHM CCOC(=O)[C@@H]1CCCc2sc(NC(=O)c3cc(C(F)F)[n-]n3)nc21 ZINC000603055968 506401349 /nfs/dbraw/zinc/40/13/49/506401349.db2.gz CXKSEBJMNWYRSE-SSDOTTSWSA-N -1 3 370.381 3.039 20 0 FGADHM CCC[C@H](C)N(C)C(=O)c1c(C)oc2[n-]c(=O)n(-c3ccccc3)c(=O)c21 ZINC000599310437 506407656 /nfs/dbraw/zinc/40/76/56/506407656.db2.gz XQYZBERNOQBVST-LBPRGKRZSA-N -1 3 369.421 3.253 20 0 FGADHM O=C(c1ccc2[nH][n-]c(=O)c2c1)N1CCCCC[C@H]1[C@H]1CCCCC1=O ZINC000612130438 506452270 /nfs/dbraw/zinc/45/22/70/506452270.db2.gz LMNUTBSPJUOCFT-PBHICJAKSA-N -1 3 355.438 3.413 20 0 FGADHM Cc1ccc(F)c(S(=O)(=O)[N-]Cc2nc3cc(Cl)ccc3[nH]2)c1 ZINC000599432306 506454731 /nfs/dbraw/zinc/45/47/31/506454731.db2.gz GEYDQYAACOOEFH-UHFFFAOYSA-N -1 3 353.806 3.142 20 0 FGADHM CCC(F)(F)C(C)(C)C[N-]S(=O)(=O)c1cccc(C)c1C(=O)OC ZINC000599444946 506460005 /nfs/dbraw/zinc/46/00/05/506460005.db2.gz HYASCBMCNXPODJ-UHFFFAOYSA-N -1 3 363.426 3.131 20 0 FGADHM Cc1nc(S(=O)(=O)[N-][C@H](C)C(c2ccccc2)c2ccccc2)cn1C ZINC000589166899 506467814 /nfs/dbraw/zinc/46/78/14/506467814.db2.gz HZUJPUZBCIXGPY-OAHLLOKOSA-N -1 3 369.490 3.227 20 0 FGADHM Cn1c2ccc(NCc3cc([O-])cc(C(F)(F)F)c3)cc2n(C)c1=O ZINC000582897149 506476695 /nfs/dbraw/zinc/47/66/95/506476695.db2.gz AWIFIAWPNHKMCI-UHFFFAOYSA-N -1 3 351.328 3.214 20 0 FGADHM CCCCc1n[n-]c(=NC(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)s1 ZINC000608264095 506482948 /nfs/dbraw/zinc/48/29/48/506482948.db2.gz QOJVVIKQXCIPTK-MRXNPFEDSA-N -1 3 373.526 3.041 20 0 FGADHM COC(=O)c1ccc(C(C)C)c(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000582914564 506487853 /nfs/dbraw/zinc/48/78/53/506487853.db2.gz GHPGFFVEPDZOEC-UHFFFAOYSA-N -1 3 355.394 3.222 20 0 FGADHM Clc1ccc(-c2nnc(CSCCc3nnn[n-]3)o2)c(Cl)c1 ZINC000603338924 506489075 /nfs/dbraw/zinc/48/90/75/506489075.db2.gz LTTIZYHHCUASBD-UHFFFAOYSA-N -1 3 357.226 3.032 20 0 FGADHM Clc1ccc(-c2nnc(CSCCc3nn[n-]n3)o2)c(Cl)c1 ZINC000603338924 506489083 /nfs/dbraw/zinc/48/90/83/506489083.db2.gz LTTIZYHHCUASBD-UHFFFAOYSA-N -1 3 357.226 3.032 20 0 FGADHM CCCc1nc(=NC(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)s[n-]1 ZINC000582993584 506528275 /nfs/dbraw/zinc/52/82/75/506528275.db2.gz WONZPRNDKMZCCS-OAHLLOKOSA-N -1 3 373.526 3.041 20 0 FGADHM CCc1ccc([C@H](NC(=O)CNC(=O)c2ccc([O-])cc2)C(C)C)cc1 ZINC000608367787 506528835 /nfs/dbraw/zinc/52/88/35/506528835.db2.gz OXNRVGQNGHTHGO-HXUWFJFHSA-N -1 3 354.450 3.198 20 0 FGADHM CC1CCN(c2cccc(NC(=O)c3c[n-]c4ccncc4c3=O)c2)CC1 ZINC000583010819 506538831 /nfs/dbraw/zinc/53/88/31/506538831.db2.gz BLIVRCHOAIFIIN-UHFFFAOYSA-N -1 3 362.433 3.412 20 0 FGADHM Cc1cc(C(=O)N(CCC(=O)OC(C)(C)C)C2CCOCC2)ccc1[O-] ZINC000583026383 506546998 /nfs/dbraw/zinc/54/69/98/506546998.db2.gz AFMKKHNMMDNTEE-UHFFFAOYSA-N -1 3 363.454 3.054 20 0 FGADHM CN(Cc1nnc2ccccn21)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000603547479 506553276 /nfs/dbraw/zinc/55/32/76/506553276.db2.gz VEVIKHYVEZSUJP-UHFFFAOYSA-N -1 3 372.428 3.298 20 0 FGADHM CSc1ccc([O-])c(C(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000612433217 506576796 /nfs/dbraw/zinc/57/67/96/506576796.db2.gz VGAUDMSQAPIGKD-INIZCTEOSA-N -1 3 356.491 3.461 20 0 FGADHM COC(=O)C1C[C@H](C)N(Cc2nc3c4ccccc4oc3c(=O)[n-]2)[C@@H](C)C1 ZINC000599687326 506582949 /nfs/dbraw/zinc/58/29/49/506582949.db2.gz BCBSQIOMCQDGHM-RYUDHWBXSA-N -1 3 369.421 3.244 20 0 FGADHM CC(C)(C)n1nnc(C(=O)[N-]c2nc(-c3cccc(Cl)c3)cs2)n1 ZINC000612456019 506585036 /nfs/dbraw/zinc/58/50/36/506585036.db2.gz WKCPBCJGDTYGSB-UHFFFAOYSA-N -1 3 362.846 3.457 20 0 FGADHM C[C@H](CN(C)Cc1ccccc1)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000583136397 506610027 /nfs/dbraw/zinc/61/00/27/506610027.db2.gz VLQOLWYMOVEDIV-GFCCVEGCSA-N -1 3 358.916 3.200 20 0 FGADHM COC(=O)C(C)(C)[C@H]1CCCN(C(=O)c2ccc3c(c2[O-])CCCC3)C1 ZINC000612560239 506626811 /nfs/dbraw/zinc/62/68/11/506626811.db2.gz NOPCSFDCEDXFRC-HNNXBMFYSA-N -1 3 359.466 3.322 20 0 FGADHM CC(C)Cn1ccc2cc(NC(=O)CNC(=O)c3ccc([O-])cc3)ccc21 ZINC000589692189 506633184 /nfs/dbraw/zinc/63/31/84/506633184.db2.gz BBRIKEFOUJDQAD-UHFFFAOYSA-N -1 3 365.433 3.371 20 0 FGADHM CCOC(=O)CSc1nnc([N-]C(=O)c2ccsc2Cl)s1 ZINC000596885500 506655676 /nfs/dbraw/zinc/65/56/76/506655676.db2.gz OOKADZLNVROITC-UHFFFAOYSA-N -1 3 363.873 3.161 20 0 FGADHM CCOC(=O)c1ncc(NC(=O)CCOc2ccc3ccccc3c2)[n-]1 ZINC000589849952 506664189 /nfs/dbraw/zinc/66/41/89/506664189.db2.gz SVBAAAFDPNCMDS-UHFFFAOYSA-N -1 3 353.378 3.147 20 0 FGADHM CCOC(=O)c1nc(NC(=O)CCOc2ccc3ccccc3c2)c[n-]1 ZINC000589849952 506664196 /nfs/dbraw/zinc/66/41/96/506664196.db2.gz SVBAAAFDPNCMDS-UHFFFAOYSA-N -1 3 353.378 3.147 20 0 FGADHM 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CCC1CCC([N-]S(=O)(=O)C[C@@H](C)CC(F)(F)F)(C(=O)OC)CC1 ZINC000594763574 507271425 /nfs/dbraw/zinc/27/14/25/507271425.db2.gz VEAIQORRFTYAAK-DCBWTQNWSA-N -1 3 373.437 3.006 20 0 FGADHM COc1cc(C(=O)N2CCC(CCC(=O)OC(C)(C)C)CC2)ccc1[O-] ZINC000598144372 507278593 /nfs/dbraw/zinc/27/85/93/507278593.db2.gz OLDOXMRGOKSYEO-UHFFFAOYSA-N -1 3 363.454 3.375 20 0 FGADHM COc1cccc(C(=O)N2CCC(CCC(=O)OC(C)(C)C)CC2)c1[O-] ZINC000598146751 507280710 /nfs/dbraw/zinc/28/07/10/507280710.db2.gz ZUBKNMHGXYJSPT-UHFFFAOYSA-N -1 3 363.454 3.375 20 0 FGADHM CCN=c1[n-]c(C(=O)Nc2cc(Cl)ccc2O[C@H](C)COC)cs1 ZINC000613857875 507281948 /nfs/dbraw/zinc/28/19/48/507281948.db2.gz QOACPHFEBWYXMH-SNVBAGLBSA-N -1 3 369.874 3.316 20 0 FGADHM Cc1cc(C)c(-c2cc(=NC(=O)c3cc(-n4cccn4)ccn3)[nH][n-]2)cc1C ZINC000605880217 507291058 /nfs/dbraw/zinc/29/10/58/507291058.db2.gz NZRRIWXHSWARHU-UHFFFAOYSA-N -1 3 372.432 3.257 20 0 FGADHM COC(=O)[C@@H]1CCN(C(=O)c2cc([O-])ccc2Cl)[C@@H]2CCCC[C@@H]12 ZINC000598173312 507294508 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CCc1[n-][nH]c(=NC(=O)[C@@H](C)c2c(C)nn(CC(F)(F)F)c2C)c1C ZINC000483226178 515994063 /nfs/dbraw/zinc/99/40/63/515994063.db2.gz RKDMJNVDOINUSQ-VIFPVBQESA-N -1 3 357.380 3.398 20 0 FGADHM CCN=c1[n-]c(C(=O)N2CCN(c3ccc4ccccc4n3)CC2)cs1 ZINC000495178804 516092788 /nfs/dbraw/zinc/09/27/88/516092788.db2.gz VDDYFOWMSPLZOE-UHFFFAOYSA-N -1 3 367.478 3.086 20 0 FGADHM CCc1[n-][nH]c(=NC(=O)c2cnn(-c3ccc(OC)cc3)c2CC)c1C ZINC000474851068 516213422 /nfs/dbraw/zinc/21/34/22/516213422.db2.gz NTEJHKHPOBHDQO-UHFFFAOYSA-N -1 3 353.426 3.290 20 0 FGADHM Cc1ccccc1-c1cc(=NC(=O)CNC(=O)CC2CCCCC2)[nH][n-]1 ZINC000512313974 516235946 /nfs/dbraw/zinc/23/59/46/516235946.db2.gz DUIABDJPEITALW-UHFFFAOYSA-N -1 3 354.454 3.410 20 0 FGADHM CCN=c1[n-]c(C(=O)N2C[C@@H](C)N(Cc3ccccc3)C[C@H]2C)cs1 ZINC000501862973 516245363 /nfs/dbraw/zinc/24/53/63/516245363.db2.gz ODXVROQQQYOCOP-HUUCEWRRSA-N -1 3 358.511 3.310 20 0 FGADHM COC(=O)c1cc(C(=O)Nc2nn(-c3ccc(Cl)cc3)cc2C)c[n-]1 ZINC000512384527 516258136 /nfs/dbraw/zinc/25/81/36/516258136.db2.gz RIOQMAGBTXJETD-UHFFFAOYSA-N -1 3 358.785 3.201 20 0 FGADHM CCC(CC)[C@H](CNC(=O)N=c1[n-]nc(CC(F)(F)F)s1)N(C)C ZINC000483990581 516272134 /nfs/dbraw/zinc/27/21/34/516272134.db2.gz XVHYLMODEHIBFZ-JTQLQIEISA-N -1 3 367.441 3.131 20 0 FGADHM CCN=c1[n-]c(C(=O)N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2)cs1 ZINC000497672323 516329873 /nfs/dbraw/zinc/32/98/73/516329873.db2.gz UWOKOIOZOUHRSD-JTQLQIEISA-N -1 3 368.865 3.376 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)c2ccnc(N3CCCCC3)n2)c1-c1ccccc1 ZINC000523561204 516507396 /nfs/dbraw/zinc/50/73/96/516507396.db2.gz XPSWFFSZCNGXII-UHFFFAOYSA-N -1 3 362.437 3.418 20 0 FGADHM CCN(CC)C[C@@H](C)NC(=O)N=c1[n-]nc(Cc2ccccc2F)s1 ZINC000518168802 516564181 /nfs/dbraw/zinc/56/41/81/516564181.db2.gz LEMQCOXZIQKWFR-GFCCVEGCSA-N -1 3 365.478 3.120 20 0 FGADHM CCOC(=O)c1coc(=NC[C@H](c2ccc(OC)cc2)N2CCCCC2)[n-]1 ZINC000544353639 516720103 /nfs/dbraw/zinc/72/01/03/516720103.db2.gz KFHNMVXTUADQFR-GOSISDBHSA-N -1 3 373.453 3.499 20 0 FGADHM CCN=c1[n-]c(C(=O)NC[C@@H](c2ccc(Cl)cc2)N(C)C)cs1 ZINC000532283274 516890756 /nfs/dbraw/zinc/89/07/56/516890756.db2.gz OPNLQCNROBWFLV-AWEZNQCLSA-N -1 3 352.891 3.261 20 0 FGADHM Cc1cc(=NC(=O)NC[C@H](C(C)C)N2CCc3ccccc3C2)[n-]nc1C ZINC000532324697 516912812 /nfs/dbraw/zinc/91/28/12/516912812.db2.gz BWRUSKCJTTYCPS-LJQANCHMSA-N -1 3 367.497 3.298 20 0 FGADHM O=C(N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1)c1c[nH]nc1-c1cccnc1 ZINC000532331669 516915887 /nfs/dbraw/zinc/91/58/87/516915887.db2.gz JPGCKCGKKYUHKY-UHFFFAOYSA-N -1 3 366.331 3.392 20 0 FGADHM Cc1ccnc(Nc2cccc(C(=O)N=c3cc([C@@H]4CCCO4)[n-][nH]3)c2)n1 ZINC000529518645 517193346 /nfs/dbraw/zinc/19/33/46/517193346.db2.gz LJSMHYITKNTURV-INIZCTEOSA-N -1 3 364.409 3.356 20 0 FGADHM Cc1oc(-c2ccccc2)nc1CC(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000525967893 517263612 /nfs/dbraw/zinc/26/36/12/517263612.db2.gz FZZLZOBYVZNCGV-MRXNPFEDSA-N -1 3 352.394 3.406 20 0 FGADHM Cc1noc2nc(C3CC3)cc(C(=O)N=c3cc([C@H]4CCCO4)[n-][nH]3)c12 ZINC000526960718 517411310 /nfs/dbraw/zinc/41/13/10/517411310.db2.gz UDZUATSZAUEOSN-CQSZACIVSA-N -1 3 353.382 3.236 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@@H](C)OC[C@H]2CCCCO2)c1-c1ccccc1F ZINC000530275699 517674058 /nfs/dbraw/zinc/67/40/58/517674058.db2.gz MLIXCRGKSPVNPA-ZIAGYGMSSA-N -1 3 361.417 3.437 20 0 FGADHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)C1(c2ccc(F)cc2)CCOCC1 ZINC000616826244 520164060 /nfs/dbraw/zinc/16/40/60/520164060.db2.gz JVGULDYLRBFESJ-MRXNPFEDSA-N -1 3 359.401 3.087 20 0 FGADHM Cc1cc(C)c(-c2cc(=NC(=O)[C@H](C)NC(=O)c3ccco3)[nH][n-]2)cc1C ZINC000617355837 520452847 /nfs/dbraw/zinc/45/28/47/520452847.db2.gz CVFABJBRTAEGCC-AWEZNQCLSA-N -1 3 366.421 3.352 20 0 FGADHM COC(=O)[C@H]1CCC[C@@H](C(=O)N=c2[nH][n-]c(C)c2-c2cccc(OC)c2)C1 ZINC000600772866 520461122 /nfs/dbraw/zinc/46/11/22/520461122.db2.gz QUMJQVMQONVTSN-CABCVRRESA-N -1 3 371.437 3.312 20 0 FGADHM COC(=O)[C@H]1CCC[C@H](C(=O)N=c2[nH][n-]c(C)c2-c2cccc(OC)c2)C1 ZINC000600772867 520461403 /nfs/dbraw/zinc/46/14/03/520461403.db2.gz QUMJQVMQONVTSN-GJZGRUSLSA-N -1 3 371.437 3.312 20 0 FGADHM CCN=c1[n-]c(C(=O)N(Cc2ccccc2)C[C@@H](O)C(F)(F)F)cs1 ZINC000613370050 520466882 /nfs/dbraw/zinc/46/68/82/520466882.db2.gz MZPMFYNXNLNAKI-CYBMUJFWSA-N -1 3 373.400 3.141 20 0 FGADHM Cc1nc(-c2cnn(C)c2)sc1C(=O)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000604601223 520615780 /nfs/dbraw/zinc/61/57/80/520615780.db2.gz UQCNLGPFQKZVNL-UHFFFAOYSA-N -1 3 364.434 3.494 20 0 FGADHM CCN=c1[n-]c(C(=O)N2CCC[C@H]2c2nccc(C(F)(F)F)n2)cs1 ZINC000618072533 520865677 /nfs/dbraw/zinc/86/56/77/520865677.db2.gz JOICJARSWSOOKY-JTQLQIEISA-N -1 3 371.388 3.361 20 0 FGADHM Cn1cc(I)c(=NC(=O)c2sccc2C2CC2)[n-]1 ZINC000602382541 521310934 /nfs/dbraw/zinc/31/09/34/521310934.db2.gz UOBNXEJLHFCJIV-UHFFFAOYSA-N -1 3 373.219 3.216 20 0 FGADHM C[C@H]1Cc2c[nH]nc2[C@H](C(=O)N=c2cc(-c3cc(F)cc(F)c3)[n-][nH]2)C1 ZINC000623201013 521848701 /nfs/dbraw/zinc/84/87/01/521848701.db2.gz CKWYTYFMJBUJJU-LKFCYVNXSA-N -1 3 357.364 3.383 20 0 FGADHM Cc1cc(C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)c(C)n1[C@H]1CCCOC1 ZINC000628032372 523283235 /nfs/dbraw/zinc/28/32/35/523283235.db2.gz YBVNKZGMVPQLJL-YOEHRIQHSA-N -1 3 358.442 3.283 20 0 FGADHM O=C(CNC(=O)c1cccc(F)c1)N=c1cc(-c2cccc(Cl)c2)[n-][nH]1 ZINC000622892298 523535214 /nfs/dbraw/zinc/53/52/14/523535214.db2.gz KHJRWQRQSBKWJR-UHFFFAOYSA-N -1 3 372.787 3.238 20 0 FGADHM CCN=c1[n-]c(C(=O)NCC(C)(C)c2ccc3c(c2)OCCO3)cs1 ZINC000478266647 561163411 /nfs/dbraw/zinc/16/34/11/561163411.db2.gz KGKKVGKYSKPXSK-UHFFFAOYSA-N -1 3 361.467 3.054 20 0 FGADHM C[C@H]1C[C@H](CNC(=O)N=c2cc3ccc(Br)cn3[n-]2)CCO1 ZINC000482181647 561249811 /nfs/dbraw/zinc/24/98/11/561249811.db2.gz FPXOGVFXVDNNNM-WDEREUQCSA-N -1 3 367.247 3.033 20 0 FGADHM O=C(N=c1cc2ccccn2[n-]1)N[C@H]1CCN(c2c(F)cccc2F)C1 ZINC000517983156 562102008 /nfs/dbraw/zinc/10/20/08/562102008.db2.gz HFHPDNJSRGYWFL-LBPRGKRZSA-N -1 3 357.364 3.013 20 0 FGADHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)C(=O)Nc1cccc2ccsc21 ZINC000472982623 561039353 /nfs/dbraw/zinc/03/93/53/561039353.db2.gz ZNGGGKAKBPWCRM-ZDUSSCGKSA-N -1 3 356.407 3.053 20 0 FGADHM COc1ccc([C@H](CNC(=O)N=c2cc(C)c(C)n[n-]2)N2CCCC2)cc1 ZINC000532324602 562474117 /nfs/dbraw/zinc/47/41/17/562474117.db2.gz AKXUEHIDPVPQIQ-SFHVURJKSA-N -1 3 369.469 3.061 20 0 FGADHM CC(C)n1nnnc1-c1ccc([N-]C(=O)c2ocnc2C(F)F)cc1F ZINC000637105118 568391304 /nfs/dbraw/zinc/39/13/04/568391304.db2.gz WWCRZXTVLOQEHT-UHFFFAOYSA-N -1 3 366.303 3.238 20 0 FGADHM CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1ccc(-c2coc(C)n2)cc1 ZINC000643268999 568457117 /nfs/dbraw/zinc/45/71/17/568457117.db2.gz HMYVLRPHKCYCBC-MRXNPFEDSA-N -1 3 352.456 3.453 20 0 FGADHM Cc1ccc(C[C@H]2CCCN2C(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000737335728 598824793 /nfs/dbraw/zinc/82/47/93/598824793.db2.gz VYLVMNSTKLATEP-JXOMPUQVSA-N -1 3 373.460 3.422 20 0 FGADHM Cc1ccc(C[C@H]2CCCN2C(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000737335728 598824794 /nfs/dbraw/zinc/82/47/94/598824794.db2.gz VYLVMNSTKLATEP-JXOMPUQVSA-N -1 3 373.460 3.422 20 0 FGADHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1Cc1ccc(F)cc1Cl ZINC000737523923 598826516 /nfs/dbraw/zinc/82/65/16/598826516.db2.gz LRNSVPKPSHNRDF-UHFFFAOYSA-N -1 3 369.791 3.274 20 0 FGADHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1Cc1ccc(F)cc1Cl ZINC000737523923 598826517 /nfs/dbraw/zinc/82/65/17/598826517.db2.gz LRNSVPKPSHNRDF-UHFFFAOYSA-N -1 3 369.791 3.274 20 0 FGADHM Cc1cccc([C@H](C)C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCC3)c1 ZINC000737385379 598830170 /nfs/dbraw/zinc/83/01/70/598830170.db2.gz RUDCYGUXFXGPTR-NSHDSACASA-N -1 3 353.451 3.468 20 0 FGADHM Cc1cccc([C@H](C)C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)c1 ZINC000737385379 598830172 /nfs/dbraw/zinc/83/01/72/598830172.db2.gz RUDCYGUXFXGPTR-NSHDSACASA-N -1 3 353.451 3.468 20 0 FGADHM CS[C@H](C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000737171664 598831380 /nfs/dbraw/zinc/83/13/80/598831380.db2.gz OSRLFMCWYVYHSA-WBMJQRKESA-N -1 3 353.451 3.148 20 0 FGADHM CS[C@H](C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000737171664 598831381 /nfs/dbraw/zinc/83/13/81/598831381.db2.gz OSRLFMCWYVYHSA-WBMJQRKESA-N -1 3 353.451 3.148 20 0 FGADHM CSC[C@H](C)C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000737178999 598836300 /nfs/dbraw/zinc/83/63/00/598836300.db2.gz GUYKOFBEXDALFO-NSHDSACASA-N -1 3 373.507 3.211 20 0 FGADHM CC(C)[C@H](C)CNC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000735702159 598836656 /nfs/dbraw/zinc/83/66/56/598836656.db2.gz OBBBCJUMMZSWTR-CYBMUJFWSA-N -1 3 369.425 3.061 20 0 FGADHM CC(C)[C@@H](C)CNC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000735700413 598836738 /nfs/dbraw/zinc/83/67/38/598836738.db2.gz GFUBXMMGYNRBBL-ZDUSSCGKSA-N -1 3 369.425 3.061 20 0 FGADHM CC(C)[C@@H](C)CNC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000735700413 598836740 /nfs/dbraw/zinc/83/67/40/598836740.db2.gz GFUBXMMGYNRBBL-ZDUSSCGKSA-N -1 3 369.425 3.061 20 0 FGADHM Cc1nn(-c2ccc(-c3nn[n-]n3)cc2)c(NC(=O)C=C2CCCC2)c1C ZINC000737503175 598840398 /nfs/dbraw/zinc/84/03/98/598840398.db2.gz KSFWRPMYVIGTFG-UHFFFAOYSA-N -1 3 363.425 3.108 20 0 FGADHM CC[C@@H](OC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000736384188 598843913 /nfs/dbraw/zinc/84/39/13/598843913.db2.gz VXZUKWSBHFTIAW-CZUORRHYSA-N -1 3 352.394 3.329 20 0 FGADHM CC[C@@H](OC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000736384188 598843915 /nfs/dbraw/zinc/84/39/15/598843915.db2.gz VXZUKWSBHFTIAW-CZUORRHYSA-N -1 3 352.394 3.329 20 0 FGADHM C[C@@H]1CC[C@H](NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)[C@H](C)C1 ZINC000736239086 598854237 /nfs/dbraw/zinc/85/42/37/598854237.db2.gz GAERSHHPBRFWCS-LBTNJELSSA-N -1 3 368.485 3.365 20 0 FGADHM C[C@@H]1CC[C@H](NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)[C@H](C)C1 ZINC000736239086 598854238 /nfs/dbraw/zinc/85/42/38/598854238.db2.gz GAERSHHPBRFWCS-LBTNJELSSA-N -1 3 368.485 3.365 20 0 FGADHM COC(=O)[C@H](N[C@@H](C)c1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736899778 598857570 /nfs/dbraw/zinc/85/75/70/598857570.db2.gz ZWTGNZBNYCWEPP-MEDUHNTESA-N -1 3 371.828 3.085 20 0 FGADHM COC(=O)[C@H](N[C@@H](C)c1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736899778 598857572 /nfs/dbraw/zinc/85/75/72/598857572.db2.gz ZWTGNZBNYCWEPP-MEDUHNTESA-N -1 3 371.828 3.085 20 0 FGADHM CC(C)(C)c1noc(-c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)n1 ZINC000735654942 598857895 /nfs/dbraw/zinc/85/78/95/598857895.db2.gz LNBHRPFLYWWXOW-UHFFFAOYSA-N -1 3 363.381 3.402 20 0 FGADHM CC(C)(C)c1noc(-c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)n1 ZINC000735654942 598857896 /nfs/dbraw/zinc/85/78/96/598857896.db2.gz LNBHRPFLYWWXOW-UHFFFAOYSA-N -1 3 363.381 3.402 20 0 FGADHM C[C@@H](CNC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)Oc1ccccc1 ZINC000736017342 598879104 /nfs/dbraw/zinc/87/91/04/598879104.db2.gz MAMRESHULLMRDS-NSHDSACASA-N -1 3 372.816 3.109 20 0 FGADHM C[C@@H](CNC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)Oc1ccccc1 ZINC000736017342 598879105 /nfs/dbraw/zinc/87/91/05/598879105.db2.gz MAMRESHULLMRDS-NSHDSACASA-N -1 3 372.816 3.109 20 0 FGADHM COC(=O)[C@@H](N[C@@H](C)c1ccc(C)cc1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736899686 598882212 /nfs/dbraw/zinc/88/22/12/598882212.db2.gz ZAFHTPWLPDTAEG-KSSFIOAISA-N -1 3 365.437 3.048 20 0 FGADHM COC(=O)[C@@H](N[C@@H](C)c1ccc(C)cc1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736899686 598882214 /nfs/dbraw/zinc/88/22/14/598882214.db2.gz ZAFHTPWLPDTAEG-KSSFIOAISA-N -1 3 365.437 3.048 20 0 FGADHM COC(=O)[C@H](NCc1cccc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000736898043 598883269 /nfs/dbraw/zinc/88/32/69/598883269.db2.gz OFAXRSRNUJXJMU-LJQANCHMSA-N -1 3 373.416 3.024 20 0 FGADHM COC(=O)[C@H](NCc1cccc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000736898043 598883271 /nfs/dbraw/zinc/88/32/71/598883271.db2.gz OFAXRSRNUJXJMU-LJQANCHMSA-N -1 3 373.416 3.024 20 0 FGADHM COC(=O)[C@H](N[C@H](C)c1cc(C)cc(C)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736895481 598884330 /nfs/dbraw/zinc/88/43/30/598884330.db2.gz JYLGPQXSNNHGSP-RDTXWAMCSA-N -1 3 365.437 3.048 20 0 FGADHM COC(=O)[C@H](N[C@H](C)c1cc(C)cc(C)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736895481 598884332 /nfs/dbraw/zinc/88/43/32/598884332.db2.gz JYLGPQXSNNHGSP-RDTXWAMCSA-N -1 3 365.437 3.048 20 0 FGADHM CCCCS[C@H](C)C(=O)O[C@@H](C)COc1cccc(-c2nnn[n-]2)c1 ZINC000736462163 598886187 /nfs/dbraw/zinc/88/61/87/598886187.db2.gz AYQKWAWEJHBYPD-QWHCGFSZSA-N -1 3 364.471 3.099 20 0 FGADHM CCCCS[C@H](C)C(=O)O[C@@H](C)COc1cccc(-c2nn[n-]n2)c1 ZINC000736462163 598886189 /nfs/dbraw/zinc/88/61/89/598886189.db2.gz AYQKWAWEJHBYPD-QWHCGFSZSA-N -1 3 364.471 3.099 20 0 FGADHM Cc1cc(CSc2nc(C)nc(C)c2-c2nnn[n-]2)c2ccccc2n1 ZINC000737265641 598892713 /nfs/dbraw/zinc/89/27/13/598892713.db2.gz XXTDAONWWRBRJT-UHFFFAOYSA-N -1 3 363.450 3.422 20 0 FGADHM Cc1cc(CSc2nc(C)nc(C)c2-c2nn[n-]n2)c2ccccc2n1 ZINC000737265641 598892715 /nfs/dbraw/zinc/89/27/15/598892715.db2.gz XXTDAONWWRBRJT-UHFFFAOYSA-N -1 3 363.450 3.422 20 0 FGADHM COc1ccc(Cl)cc1N(C)C(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000737100463 598902052 /nfs/dbraw/zinc/90/20/52/598902052.db2.gz YIOKZNXILRBECG-UHFFFAOYSA-N -1 3 374.857 3.362 20 0 FGADHM COc1ccc(Cl)cc1N(C)C(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000737100463 598902054 /nfs/dbraw/zinc/90/20/54/598902054.db2.gz YIOKZNXILRBECG-UHFFFAOYSA-N -1 3 374.857 3.362 20 0 FGADHM Cc1cccc([C@H](C)C(=O)O[C@H](C)COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737390887 598909701 /nfs/dbraw/zinc/90/97/01/598909701.db2.gz WNTNPKKPSQPJKA-CABCVRRESA-N -1 3 366.421 3.289 20 0 FGADHM Cc1cccc([C@H](C)C(=O)O[C@H](C)COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737390887 598909703 /nfs/dbraw/zinc/90/97/03/598909703.db2.gz WNTNPKKPSQPJKA-CABCVRRESA-N -1 3 366.421 3.289 20 0 FGADHM C[C@@](O)(CNc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccc(F)cc1F ZINC000736144496 598915303 /nfs/dbraw/zinc/91/53/03/598915303.db2.gz ZNFRFOUFHOHCRB-MRXNPFEDSA-N -1 3 365.771 3.118 20 0 FGADHM C[C@@](O)(CNc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc(F)cc1F ZINC000736144496 598915304 /nfs/dbraw/zinc/91/53/04/598915304.db2.gz ZNFRFOUFHOHCRB-MRXNPFEDSA-N -1 3 365.771 3.118 20 0 FGADHM Cc1ccc(NC(=O)CCc2ccc(-c3nnn[n-]3)cc2)cc1OC(F)F ZINC000737356003 598929594 /nfs/dbraw/zinc/92/95/94/598929594.db2.gz NUWWAOXPMLWKMT-UHFFFAOYSA-N -1 3 373.363 3.348 20 0 FGADHM Cc1ccc(NC(=O)CCc2ccc(-c3nn[n-]n3)cc2)cc1OC(F)F ZINC000737356003 598929596 /nfs/dbraw/zinc/92/95/96/598929596.db2.gz NUWWAOXPMLWKMT-UHFFFAOYSA-N -1 3 373.363 3.348 20 0 FGADHM Cc1ccccc1C[C@@H]1CCCN1C(=O)c1sccc1-c1nnn[n-]1 ZINC000737426154 598934861 /nfs/dbraw/zinc/93/48/61/598934861.db2.gz KFYJYWKCJHGPTJ-AWEZNQCLSA-N -1 3 353.451 3.084 20 0 FGADHM Cc1ccccc1C[C@@H]1CCCN1C(=O)c1sccc1-c1nn[n-]n1 ZINC000737426154 598934863 /nfs/dbraw/zinc/93/48/63/598934863.db2.gz KFYJYWKCJHGPTJ-AWEZNQCLSA-N -1 3 353.451 3.084 20 0 FGADHM COc1cccc(SCCOc2ccc(-c3nnn[n-]3)cc2OC)c1 ZINC000737142526 598938566 /nfs/dbraw/zinc/93/85/66/598938566.db2.gz XMWJOWGSJQCIJE-UHFFFAOYSA-N -1 3 358.423 3.055 20 0 FGADHM COc1cccc(SCCOc2ccc(-c3nn[n-]n3)cc2OC)c1 ZINC000737142526 598938568 /nfs/dbraw/zinc/93/85/68/598938568.db2.gz XMWJOWGSJQCIJE-UHFFFAOYSA-N -1 3 358.423 3.055 20 0 FGADHM CC[C@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1cc(F)ccc1F ZINC000736355908 598943969 /nfs/dbraw/zinc/94/39/69/598943969.db2.gz KQZWFVOMUHXRHY-JEJOPICUSA-N -1 3 369.375 3.426 20 0 FGADHM CC[C@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1cc(F)ccc1F ZINC000736355908 598943971 /nfs/dbraw/zinc/94/39/71/598943971.db2.gz KQZWFVOMUHXRHY-JEJOPICUSA-N -1 3 369.375 3.426 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)NC1(c2cccc(Cl)c2)CC1 ZINC000737797103 598946110 /nfs/dbraw/zinc/94/61/10/598946110.db2.gz IKKOJQAPAFOQNW-CMDGGOBGSA-N -1 3 365.824 3.339 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)NC1(c2cccc(Cl)c2)CC1 ZINC000737797103 598946111 /nfs/dbraw/zinc/94/61/11/598946111.db2.gz IKKOJQAPAFOQNW-CMDGGOBGSA-N -1 3 365.824 3.339 20 0 FGADHM c1cc(CNc2cccc(OC[C@@H]3CCCO3)c2)cc(-c2nnn[n-]2)c1 ZINC000738418420 598963644 /nfs/dbraw/zinc/96/36/44/598963644.db2.gz HEZSEACKAPQHNQ-SFHVURJKSA-N -1 3 351.410 3.037 20 0 FGADHM c1cc(CNc2cccc(OC[C@@H]3CCCO3)c2)cc(-c2nn[n-]n2)c1 ZINC000738418420 598963646 /nfs/dbraw/zinc/96/36/46/598963646.db2.gz HEZSEACKAPQHNQ-SFHVURJKSA-N -1 3 351.410 3.037 20 0 FGADHM O[C@@H](CNc1cccc(F)c1-c1nnn[n-]1)c1c(Cl)cccc1Cl ZINC000738385798 598977098 /nfs/dbraw/zinc/97/70/98/598977098.db2.gz YJAHYFRQPDQINL-LBPRGKRZSA-N -1 3 368.199 3.458 20 0 FGADHM O[C@@H](CNc1cccc(F)c1-c1nn[n-]n1)c1c(Cl)cccc1Cl ZINC000738385798 598977100 /nfs/dbraw/zinc/97/71/00/598977100.db2.gz YJAHYFRQPDQINL-LBPRGKRZSA-N -1 3 368.199 3.458 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OCCOc1cccc(C(C)C)c1 ZINC000737033247 598978167 /nfs/dbraw/zinc/97/81/67/598978167.db2.gz UPVITVQWOUNEEF-UHFFFAOYSA-N -1 3 354.410 3.457 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OCCOc1cccc(C(C)C)c1 ZINC000737033247 598978168 /nfs/dbraw/zinc/97/81/68/598978168.db2.gz UPVITVQWOUNEEF-UHFFFAOYSA-N -1 3 354.410 3.457 20 0 FGADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NC[C@H](C)C(C)(C)C ZINC000735736301 599006620 /nfs/dbraw/zinc/00/66/20/599006620.db2.gz RQRYOYPOFXFSSU-XJKSGUPXSA-N -1 3 359.474 3.069 20 0 FGADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NC[C@H](C)C(C)(C)C ZINC000735736301 599006622 /nfs/dbraw/zinc/00/66/22/599006622.db2.gz RQRYOYPOFXFSSU-XJKSGUPXSA-N -1 3 359.474 3.069 20 0 FGADHM C[C@H](CCC1CCCCC1)NC(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC000735985089 599034727 /nfs/dbraw/zinc/03/47/27/599034727.db2.gz IUMSFPLXYJGKGA-CQSZACIVSA-N -1 3 356.474 3.144 20 0 FGADHM CO[C@H](CNc1nc2c(cc1-c1nnn[n-]1)CCC2)c1ccc(Cl)cc1 ZINC000821678652 599046348 /nfs/dbraw/zinc/04/63/48/599046348.db2.gz QPKKTMUPQREMJT-MRXNPFEDSA-N -1 3 370.844 3.203 20 0 FGADHM CO[C@H](CNc1nc2c(cc1-c1nn[n-]n1)CCC2)c1ccc(Cl)cc1 ZINC000821678652 599046350 /nfs/dbraw/zinc/04/63/50/599046350.db2.gz QPKKTMUPQREMJT-MRXNPFEDSA-N -1 3 370.844 3.203 20 0 FGADHM Cc1cccc([C@H](C)CNC(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737390381 599053130 /nfs/dbraw/zinc/05/31/30/599053130.db2.gz SRFOURJQCIUPKU-HUUCEWRRSA-N -1 3 364.453 3.339 20 0 FGADHM Cc1cccc([C@H](C)CNC(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737390381 599053133 /nfs/dbraw/zinc/05/31/33/599053133.db2.gz SRFOURJQCIUPKU-HUUCEWRRSA-N -1 3 364.453 3.339 20 0 FGADHM CSC1(CNc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)CCOCC1 ZINC000821950154 599053405 /nfs/dbraw/zinc/05/34/05/599053405.db2.gz LHBZSCPFPLXKJS-UHFFFAOYSA-N -1 3 373.404 3.210 20 0 FGADHM COc1cccc(O[C@H](C)CNc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000821872163 599062063 /nfs/dbraw/zinc/06/20/63/599062063.db2.gz JVGVZIAJXNDCGN-LLVKDONJSA-N -1 3 359.817 3.408 20 0 FGADHM COc1cccc(O[C@H](C)CNc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000821872163 599062067 /nfs/dbraw/zinc/06/20/67/599062067.db2.gz JVGVZIAJXNDCGN-LLVKDONJSA-N -1 3 359.817 3.408 20 0 FGADHM C[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C(=O)N1c1ccccc1 ZINC000820668398 599062180 /nfs/dbraw/zinc/06/21/80/599062180.db2.gz SFBXNQRWVWCRDM-MEDUHNTESA-N -1 3 368.828 3.126 20 0 FGADHM C[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C(=O)N1c1ccccc1 ZINC000820668398 599062182 /nfs/dbraw/zinc/06/21/82/599062182.db2.gz SFBXNQRWVWCRDM-MEDUHNTESA-N -1 3 368.828 3.126 20 0 FGADHM C[C@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000736192937 599063771 /nfs/dbraw/zinc/06/37/71/599063771.db2.gz NZXGFPVOXWZKFW-COPLHBTASA-N -1 3 363.462 3.181 20 0 FGADHM C[C@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000736192937 599063774 /nfs/dbraw/zinc/06/37/74/599063774.db2.gz NZXGFPVOXWZKFW-COPLHBTASA-N -1 3 363.462 3.181 20 0 FGADHM C[C@@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(=O)N(C)Cc1ccccc1 ZINC000736189136 599067341 /nfs/dbraw/zinc/06/73/41/599067341.db2.gz ASPAQOLRQPXFPY-GFCCVEGCSA-N -1 3 371.441 3.145 20 0 FGADHM C[C@@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(=O)N(C)Cc1ccccc1 ZINC000736189136 599067344 /nfs/dbraw/zinc/06/73/44/599067344.db2.gz ASPAQOLRQPXFPY-GFCCVEGCSA-N -1 3 371.441 3.145 20 0 FGADHM CS[C@@H]1CC[C@@H](Nc2c(-c3nnn[n-]3)cnc3c(C)cc(C)cc32)C1 ZINC000821950322 599073501 /nfs/dbraw/zinc/07/35/01/599073501.db2.gz MNIBQKADMJCBQC-CHWSQXEVSA-N -1 3 354.483 3.150 20 0 FGADHM CS[C@@H]1CC[C@@H](Nc2c(-c3nn[n-]n3)cnc3c(C)cc(C)cc32)C1 ZINC000821950322 599073503 /nfs/dbraw/zinc/07/35/03/599073503.db2.gz MNIBQKADMJCBQC-CHWSQXEVSA-N -1 3 354.483 3.150 20 0 FGADHM CS[C@@H]1CC[C@@H](Nc2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)C1 ZINC000821950351 599076105 /nfs/dbraw/zinc/07/61/05/599076105.db2.gz MQHBUXUTYBAOGC-GHMZBOCLSA-N -1 3 360.874 3.186 20 0 FGADHM CS[C@@H]1CC[C@@H](Nc2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)C1 ZINC000821950351 599076109 /nfs/dbraw/zinc/07/61/09/599076109.db2.gz MQHBUXUTYBAOGC-GHMZBOCLSA-N -1 3 360.874 3.186 20 0 FGADHM CC[C@H](NC(=O)Cc1ccc(-c2nnn[n-]2)cc1)C(C)(C)c1ccccc1 ZINC000736361070 599076881 /nfs/dbraw/zinc/07/68/81/599076881.db2.gz DVZWPWSJAFRPQU-SFHVURJKSA-N -1 3 363.465 3.282 20 0 FGADHM CC[C@H](NC(=O)Cc1ccc(-c2nn[n-]n2)cc1)C(C)(C)c1ccccc1 ZINC000736361070 599076885 /nfs/dbraw/zinc/07/68/85/599076885.db2.gz DVZWPWSJAFRPQU-SFHVURJKSA-N -1 3 363.465 3.282 20 0 FGADHM C[C@@H](NC(=O)CSCc1ccc(-c2nnn[n-]2)cc1)C1CCCCC1 ZINC000736104222 599079131 /nfs/dbraw/zinc/07/91/31/599079131.db2.gz FXDXVWWCMXPWCO-CYBMUJFWSA-N -1 3 359.499 3.185 20 0 FGADHM C[C@@H](NC(=O)CSCc1ccc(-c2nn[n-]n2)cc1)C1CCCCC1 ZINC000736104222 599079133 /nfs/dbraw/zinc/07/91/33/599079133.db2.gz FXDXVWWCMXPWCO-CYBMUJFWSA-N -1 3 359.499 3.185 20 0 FGADHM CC(C)[C@@H]1CN(c2ccc(-c3nn[n-]n3)cc2C(F)(F)F)CCS1 ZINC000820043948 599096245 /nfs/dbraw/zinc/09/62/45/599096245.db2.gz DFJYPBFFCRPEBC-ZDUSSCGKSA-N -1 3 357.405 3.463 20 0 FGADHM C[C@H](CCC1CCCCC1)NC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000735983915 599103142 /nfs/dbraw/zinc/10/31/42/599103142.db2.gz ACGJUFJFKFIJLU-CQSZACIVSA-N -1 3 356.474 3.415 20 0 FGADHM C[C@H](CCC1CCCCC1)NC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000735983915 599103143 /nfs/dbraw/zinc/10/31/43/599103143.db2.gz ACGJUFJFKFIJLU-CQSZACIVSA-N -1 3 356.474 3.415 20 0 FGADHM C[C@H]1CCC[C@H](CCNC(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000736253770 599105923 /nfs/dbraw/zinc/10/59/23/599105923.db2.gz WCYSUJNFVPPBOP-LSDHHAIUSA-N -1 3 356.474 3.225 20 0 FGADHM C[C@H]1CCC[C@H](CCNC(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000736253770 599105925 /nfs/dbraw/zinc/10/59/25/599105925.db2.gz WCYSUJNFVPPBOP-LSDHHAIUSA-N -1 3 356.474 3.225 20 0 FGADHM FC(F)Oc1cc(-c2nnn[n-]2)ccc1CSC[C@H]1CCCOC1 ZINC000822732611 607258398 /nfs/dbraw/zinc/25/83/98/607258398.db2.gz MHVIZFPMNPENDX-JTQLQIEISA-N -1 3 356.398 3.128 20 0 FGADHM FC(F)Oc1cc(-c2nn[n-]n2)ccc1CSC[C@H]1CCCOC1 ZINC000822732611 607258399 /nfs/dbraw/zinc/25/83/99/607258399.db2.gz MHVIZFPMNPENDX-JTQLQIEISA-N -1 3 356.398 3.128 20 0 FGADHM Cc1nc2cc(Nc3nc(C(F)(F)F)ccc3-c3nnn[n-]3)ccc2n1C ZINC000822458954 599108855 /nfs/dbraw/zinc/10/88/55/599108855.db2.gz KJCLUBTWUFDARV-UHFFFAOYSA-N -1 3 374.330 3.219 20 0 FGADHM Cc1nc2cc(Nc3nc(C(F)(F)F)ccc3-c3nn[n-]n3)ccc2n1C ZINC000822458954 599108857 /nfs/dbraw/zinc/10/88/57/599108857.db2.gz KJCLUBTWUFDARV-UHFFFAOYSA-N -1 3 374.330 3.219 20 0 FGADHM C[C@@H](Sc1ccccc1-c1nnn[n-]1)C(=O)NCc1ccc(Cl)cc1 ZINC000736194157 599109002 /nfs/dbraw/zinc/10/90/02/599109002.db2.gz WQWBMUQXJFMJJG-LLVKDONJSA-N -1 3 373.869 3.317 20 0 FGADHM C[C@@H](Sc1ccccc1-c1nn[n-]n1)C(=O)NCc1ccc(Cl)cc1 ZINC000736194157 599109004 /nfs/dbraw/zinc/10/90/04/599109004.db2.gz WQWBMUQXJFMJJG-LLVKDONJSA-N -1 3 373.869 3.317 20 0 FGADHM FC(F)(F)COc1ccccc1CSc1cc(-c2nnn[n-]2)ccn1 ZINC000822718253 599126610 /nfs/dbraw/zinc/12/66/10/599126610.db2.gz FEZPVUBYZKOVGL-UHFFFAOYSA-N -1 3 367.356 3.495 20 0 FGADHM FC(F)(F)COc1ccccc1CSc1cc(-c2nn[n-]n2)ccn1 ZINC000822718253 599126613 /nfs/dbraw/zinc/12/66/13/599126613.db2.gz FEZPVUBYZKOVGL-UHFFFAOYSA-N -1 3 367.356 3.495 20 0 FGADHM FC(F)(F)COc1ccc(CSc2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000822718739 607259010 /nfs/dbraw/zinc/25/90/10/607259010.db2.gz QRNANDXEIKDDIS-UHFFFAOYSA-N -1 3 367.356 3.495 20 0 FGADHM FC(F)(F)COc1ccc(CSc2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000822718739 607259011 /nfs/dbraw/zinc/25/90/11/607259011.db2.gz QRNANDXEIKDDIS-UHFFFAOYSA-N -1 3 367.356 3.495 20 0 FGADHM c1ccc(CCc2nnc(SCc3cccc(-c4nnn[n-]4)c3)o2)cc1 ZINC000823780778 599133621 /nfs/dbraw/zinc/13/36/21/599133621.db2.gz WAQIPGGFXKUOPL-UHFFFAOYSA-N -1 3 364.434 3.327 20 0 FGADHM c1ccc(CCc2nnc(SCc3cccc(-c4nn[n-]n4)c3)o2)cc1 ZINC000823780778 599133623 /nfs/dbraw/zinc/13/36/23/599133623.db2.gz WAQIPGGFXKUOPL-UHFFFAOYSA-N -1 3 364.434 3.327 20 0 FGADHM Cc1nc(C2CCCC2)sc1C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000822431853 599138252 /nfs/dbraw/zinc/13/82/52/599138252.db2.gz MEQLWSKBVJZKEQ-UHFFFAOYSA-N -1 3 368.466 3.219 20 0 FGADHM Cc1nc(C2CCCC2)sc1C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000822431853 599138255 /nfs/dbraw/zinc/13/82/55/599138255.db2.gz MEQLWSKBVJZKEQ-UHFFFAOYSA-N -1 3 368.466 3.219 20 0 FGADHM C[C@@H]1CN(Cc2cc(-c3nnn[n-]3)ccc2F)C[C@H](c2ccc(F)cc2)O1 ZINC000736288167 599141357 /nfs/dbraw/zinc/14/13/57/599141357.db2.gz RNQLRAMHEJKUOC-KZULUSFZSA-N -1 3 371.391 3.107 20 0 FGADHM C[C@@H]1CN(Cc2cc(-c3nn[n-]n3)ccc2F)C[C@H](c2ccc(F)cc2)O1 ZINC000736288167 599141359 /nfs/dbraw/zinc/14/13/59/599141359.db2.gz RNQLRAMHEJKUOC-KZULUSFZSA-N -1 3 371.391 3.107 20 0 FGADHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)CCCC1CCCC1 ZINC000821690108 599142157 /nfs/dbraw/zinc/14/21/57/599142157.db2.gz ZBFXQNVLXDXEOW-UHFFFAOYSA-N -1 3 371.485 3.202 20 0 FGADHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)CCCC1CCCC1 ZINC000821690108 599142160 /nfs/dbraw/zinc/14/21/60/599142160.db2.gz ZBFXQNVLXDXEOW-UHFFFAOYSA-N -1 3 371.485 3.202 20 0 FGADHM Cc1cccnc1[C@H](NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)C(C)C ZINC000737433264 599148614 /nfs/dbraw/zinc/14/86/14/599148614.db2.gz DOQXZHVGCBGLRC-OAHLLOKOSA-N -1 3 369.404 3.228 20 0 FGADHM Cc1cccnc1[C@H](NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)C(C)C ZINC000737433264 599148617 /nfs/dbraw/zinc/14/86/17/599148617.db2.gz DOQXZHVGCBGLRC-OAHLLOKOSA-N -1 3 369.404 3.228 20 0 FGADHM C[C@@H](OC(=O)C[C@H]1OCCc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000736150338 599153714 /nfs/dbraw/zinc/15/37/14/599153714.db2.gz NDUKZDIFEMMXSD-FZKQIMNGSA-N -1 3 364.405 3.175 20 0 FGADHM C[C@@H](OC(=O)C[C@H]1OCCc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000736150338 599153716 /nfs/dbraw/zinc/15/37/16/599153716.db2.gz NDUKZDIFEMMXSD-FZKQIMNGSA-N -1 3 364.405 3.175 20 0 FGADHM O=C(CCCC1CCCC1)Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822955359 599154412 /nfs/dbraw/zinc/15/44/12/599154412.db2.gz RHCPXUPRRXQPBL-UHFFFAOYSA-N -1 3 365.441 3.351 20 0 FGADHM O=C(Nc1ccc(OC2CCCCC2)cc1)c1ccc(-c2nnn[n-]2)cn1 ZINC000738175689 599163925 /nfs/dbraw/zinc/16/39/25/599163925.db2.gz ZVMBYUQGMLZUGW-UHFFFAOYSA-N -1 3 364.409 3.226 20 0 FGADHM O=C(Nc1ccc(OC2CCCCC2)cc1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738175689 599163926 /nfs/dbraw/zinc/16/39/26/599163926.db2.gz ZVMBYUQGMLZUGW-UHFFFAOYSA-N -1 3 364.409 3.226 20 0 FGADHM CC(C)Oc1ccc([C@H](O)CNc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000735915974 599171087 /nfs/dbraw/zinc/17/10/87/599171087.db2.gz WXDLOPVCEHAOLD-QGZVFWFLSA-N -1 3 373.844 3.453 20 0 FGADHM CC(C)Oc1ccc([C@H](O)CNc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000735915974 599171090 /nfs/dbraw/zinc/17/10/90/599171090.db2.gz WXDLOPVCEHAOLD-QGZVFWFLSA-N -1 3 373.844 3.453 20 0 FGADHM Cc1nc(S[C@H](C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)sc1C ZINC000737483924 599173485 /nfs/dbraw/zinc/17/34/85/599173485.db2.gz QKZWLTCIPGUILW-SNVBAGLBSA-N -1 3 360.468 3.059 20 0 FGADHM Cc1nc(S[C@H](C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)sc1C ZINC000737483924 599173487 /nfs/dbraw/zinc/17/34/87/599173487.db2.gz QKZWLTCIPGUILW-SNVBAGLBSA-N -1 3 360.468 3.059 20 0 FGADHM Fc1cc(-c2nnn[n-]2)ccc1SCc1noc(Cc2ccccc2)n1 ZINC000737644790 599173908 /nfs/dbraw/zinc/17/39/08/599173908.db2.gz MADODUUWQWFCMX-UHFFFAOYSA-N -1 3 368.397 3.272 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1SCc1noc(Cc2ccccc2)n1 ZINC000737644790 599173909 /nfs/dbraw/zinc/17/39/09/599173909.db2.gz MADODUUWQWFCMX-UHFFFAOYSA-N -1 3 368.397 3.272 20 0 FGADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)c1cc2cc(F)ccc2s1 ZINC000823241692 599178211 /nfs/dbraw/zinc/17/82/11/599178211.db2.gz CESJNHXZNDGDLN-UHFFFAOYSA-N -1 3 371.372 3.290 20 0 FGADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)c1cc2cc(F)ccc2s1 ZINC000823241692 599178214 /nfs/dbraw/zinc/17/82/14/599178214.db2.gz CESJNHXZNDGDLN-UHFFFAOYSA-N -1 3 371.372 3.290 20 0 FGADHM C[C@@H](CC(=O)OCc1ccc(F)cc1-c1nnn[n-]1)c1cccc(F)c1 ZINC000735974855 599184532 /nfs/dbraw/zinc/18/45/32/599184532.db2.gz CRJQNNJZHYGJET-NSHDSACASA-N -1 3 358.348 3.382 20 0 FGADHM C[C@@H](CC(=O)OCc1ccc(F)cc1-c1nn[n-]n1)c1cccc(F)c1 ZINC000735974855 599184534 /nfs/dbraw/zinc/18/45/34/599184534.db2.gz CRJQNNJZHYGJET-NSHDSACASA-N -1 3 358.348 3.382 20 0 FGADHM C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)c2sccc2-c2nnn[n-]2)C1 ZINC000820668764 599190040 /nfs/dbraw/zinc/19/00/40/599190040.db2.gz WADVOGWCYPOSEM-YGRLFVJLSA-N -1 3 357.414 3.291 20 0 FGADHM C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)c2sccc2-c2nn[n-]n2)C1 ZINC000820668764 599190042 /nfs/dbraw/zinc/19/00/42/599190042.db2.gz WADVOGWCYPOSEM-YGRLFVJLSA-N -1 3 357.414 3.291 20 0 FGADHM C[C@H](NC(=O)N1CCCC[C@H]1c1ccco1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736110437 599189997 /nfs/dbraw/zinc/18/99/97/599189997.db2.gz BMDKZDVXMBBXHD-BBRMVZONSA-N -1 3 366.425 3.458 20 0 FGADHM C[C@H](NC(=O)N1CCCC[C@H]1c1ccco1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736110437 599190000 /nfs/dbraw/zinc/19/00/00/599190000.db2.gz BMDKZDVXMBBXHD-BBRMVZONSA-N -1 3 366.425 3.458 20 0 FGADHM CCCCCC[C@H](C)C(=O)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000736446779 599186462 /nfs/dbraw/zinc/18/64/62/599186462.db2.gz PTAQHUAISYONIW-INIZCTEOSA-N -1 3 370.501 3.122 20 0 FGADHM CCCCCC[C@H](C)C(=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000736446779 599186464 /nfs/dbraw/zinc/18/64/64/599186464.db2.gz PTAQHUAISYONIW-INIZCTEOSA-N -1 3 370.501 3.122 20 0 FGADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCC(C2CCCC2)CC1 ZINC000820533223 599192774 /nfs/dbraw/zinc/19/27/74/599192774.db2.gz BZQZZTKPWYNLOB-CQSZACIVSA-N -1 3 369.469 3.063 20 0 FGADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCC(C2CCCC2)CC1 ZINC000820533223 599192777 /nfs/dbraw/zinc/19/27/77/599192777.db2.gz BZQZZTKPWYNLOB-CQSZACIVSA-N -1 3 369.469 3.063 20 0 FGADHM CCC[C@@H]1[C@H](C)CCCN1C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000821033690 599194348 /nfs/dbraw/zinc/19/43/48/599194348.db2.gz DJTLDNOZCKRMJL-CZUORRHYSA-N -1 3 359.499 3.386 20 0 FGADHM CCC[C@@H]1[C@H](C)CCCN1C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000821033690 599194351 /nfs/dbraw/zinc/19/43/51/599194351.db2.gz DJTLDNOZCKRMJL-CZUORRHYSA-N -1 3 359.499 3.386 20 0 FGADHM CC[C@@]1(C)CCCN(C(=O)CSCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820949799 599201047 /nfs/dbraw/zinc/20/10/47/599201047.db2.gz FXQXOPPCUPTJNQ-SFHVURJKSA-N -1 3 359.499 3.139 20 0 FGADHM CC[C@@]1(C)CCCN(C(=O)CSCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820949799 599201049 /nfs/dbraw/zinc/20/10/49/599201049.db2.gz FXQXOPPCUPTJNQ-SFHVURJKSA-N -1 3 359.499 3.139 20 0 FGADHM C[C@@H]1CN(C(=O)c2sccc2-c2nnn[n-]2)c2cc(Cl)ccc2O1 ZINC000820741437 599204497 /nfs/dbraw/zinc/20/44/97/599204497.db2.gz DDRCQTJVUTXSBO-MRVPVSSYSA-N -1 3 361.814 3.009 20 0 FGADHM C[C@@H]1CN(C(=O)c2sccc2-c2nn[n-]n2)c2cc(Cl)ccc2O1 ZINC000820741437 599204499 /nfs/dbraw/zinc/20/44/99/599204499.db2.gz DDRCQTJVUTXSBO-MRVPVSSYSA-N -1 3 361.814 3.009 20 0 FGADHM O=C(C1CC1)N(Cc1ccc(Cl)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000737782310 599210759 /nfs/dbraw/zinc/21/07/59/599210759.db2.gz NBHRPUDFOPYVJL-UHFFFAOYSA-N -1 3 353.813 3.463 20 0 FGADHM O=C(C1CC1)N(Cc1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000737782310 599210761 /nfs/dbraw/zinc/21/07/61/599210761.db2.gz NBHRPUDFOPYVJL-UHFFFAOYSA-N -1 3 353.813 3.463 20 0 FGADHM CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)c1sccc1-c1nnn[n-]1 ZINC000820020834 599215158 /nfs/dbraw/zinc/21/51/58/599215158.db2.gz KTOFXSCWWSQHRN-CQSZACIVSA-N -1 3 359.430 3.064 20 0 FGADHM CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)c1sccc1-c1nn[n-]n1 ZINC000820020834 599215162 /nfs/dbraw/zinc/21/51/62/599215162.db2.gz KTOFXSCWWSQHRN-CQSZACIVSA-N -1 3 359.430 3.064 20 0 FGADHM CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820020645 599215181 /nfs/dbraw/zinc/21/51/81/599215181.db2.gz JDXJMOKPSWIYGI-KRWDZBQOSA-N -1 3 353.401 3.003 20 0 FGADHM CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820020645 599215185 /nfs/dbraw/zinc/21/51/85/599215185.db2.gz JDXJMOKPSWIYGI-KRWDZBQOSA-N -1 3 353.401 3.003 20 0 FGADHM CCOCCC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000821373959 599220855 /nfs/dbraw/zinc/22/08/55/599220855.db2.gz PIUJBTZJQHSPJO-UHFFFAOYSA-N -1 3 371.372 3.163 20 0 FGADHM CCOCCC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000821373959 599220857 /nfs/dbraw/zinc/22/08/57/599220857.db2.gz PIUJBTZJQHSPJO-UHFFFAOYSA-N -1 3 371.372 3.163 20 0 FGADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)Nc1ccc2ccccc2c1 ZINC000823238822 599237000 /nfs/dbraw/zinc/23/70/00/599237000.db2.gz RGBXEBJHFRVYRN-UHFFFAOYSA-N -1 3 362.368 3.481 20 0 FGADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)Nc1ccc2ccccc2c1 ZINC000823238822 599237002 /nfs/dbraw/zinc/23/70/02/599237002.db2.gz RGBXEBJHFRVYRN-UHFFFAOYSA-N -1 3 362.368 3.481 20 0 FGADHM C[C@H](NC(=S)Nc1ccc(F)cc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000820404408 599238408 /nfs/dbraw/zinc/23/84/08/599238408.db2.gz USZXTHVSIRAKKD-VIFPVBQESA-N -1 3 360.393 3.193 20 0 FGADHM C[C@H](NC(=S)Nc1ccc(F)cc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000820404408 599238409 /nfs/dbraw/zinc/23/84/09/599238409.db2.gz USZXTHVSIRAKKD-VIFPVBQESA-N -1 3 360.393 3.193 20 0 FGADHM Cc1ccc(OCCC(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1C ZINC000822263778 607270360 /nfs/dbraw/zinc/27/03/60/607270360.db2.gz YXOKDMOMMOQOHN-UHFFFAOYSA-N -1 3 351.410 3.200 20 0 FGADHM Cc1ccc(OCCC(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1C ZINC000822263778 607270361 /nfs/dbraw/zinc/27/03/61/607270361.db2.gz YXOKDMOMMOQOHN-UHFFFAOYSA-N -1 3 351.410 3.200 20 0 FGADHM Cc1c(NC(=O)COc2ccccc2C(C)C)cccc1-c1nnn[n-]1 ZINC000822075661 607270578 /nfs/dbraw/zinc/27/05/78/607270578.db2.gz HKDNZAMWBUMWGI-UHFFFAOYSA-N -1 3 351.410 3.316 20 0 FGADHM Cc1c(NC(=O)COc2ccccc2C(C)C)cccc1-c1nn[n-]n1 ZINC000822075661 607270579 /nfs/dbraw/zinc/27/05/79/607270579.db2.gz HKDNZAMWBUMWGI-UHFFFAOYSA-N -1 3 351.410 3.316 20 0 FGADHM Cc1c(NC(=O)Cc2cccc(C(F)(F)F)c2)cccc1-c1nnn[n-]1 ZINC000822075723 607271764 /nfs/dbraw/zinc/27/17/64/607271764.db2.gz IHEPUIXYRXZHIX-UHFFFAOYSA-N -1 3 361.327 3.375 20 0 FGADHM Cc1c(NC(=O)Cc2cccc(C(F)(F)F)c2)cccc1-c1nn[n-]n1 ZINC000822075723 607271765 /nfs/dbraw/zinc/27/17/65/607271765.db2.gz IHEPUIXYRXZHIX-UHFFFAOYSA-N -1 3 361.327 3.375 20 0 FGADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)N1CC[C@H]1c1ccc(Cl)cc1 ZINC000737854385 599251966 /nfs/dbraw/zinc/25/19/66/599251966.db2.gz ZOIABKSWQVCYIC-KRWDZBQOSA-N -1 3 367.840 3.426 20 0 FGADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)N1CC[C@H]1c1ccc(Cl)cc1 ZINC000737854385 599251967 /nfs/dbraw/zinc/25/19/67/599251967.db2.gz ZOIABKSWQVCYIC-KRWDZBQOSA-N -1 3 367.840 3.426 20 0 FGADHM Cc1c(NC(=O)N[C@H](Cc2ccccc2)C2CC2)cccc1-c1nnn[n-]1 ZINC000822089999 607282453 /nfs/dbraw/zinc/28/24/53/607282453.db2.gz IEIXVLUVSLJJJQ-GOSISDBHSA-N -1 3 362.437 3.318 20 0 FGADHM Cc1c(NC(=O)N[C@H](Cc2ccccc2)C2CC2)cccc1-c1nn[n-]n1 ZINC000822089999 607282454 /nfs/dbraw/zinc/28/24/54/607282454.db2.gz IEIXVLUVSLJJJQ-GOSISDBHSA-N -1 3 362.437 3.318 20 0 FGADHM CC[C@@H](CNC(=O)Nc1cccc(-c2nnn[n-]2)c1C)c1ccccc1 ZINC000820908906 607288704 /nfs/dbraw/zinc/28/87/04/607288704.db2.gz RFMKJQDPJYHCDN-AWEZNQCLSA-N -1 3 350.426 3.490 20 0 FGADHM CC[C@@H](CNC(=O)Nc1cccc(-c2nn[n-]n2)c1C)c1ccccc1 ZINC000820908906 607288705 /nfs/dbraw/zinc/28/87/05/607288705.db2.gz RFMKJQDPJYHCDN-AWEZNQCLSA-N -1 3 350.426 3.490 20 0 FGADHM CCc1ccc(CN(C)C(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1 ZINC000821486385 607288808 /nfs/dbraw/zinc/28/88/08/607288808.db2.gz FBXOVDJZPLNJQL-UHFFFAOYSA-N -1 3 350.426 3.401 20 0 FGADHM CCc1ccc(CN(C)C(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1 ZINC000821486385 607288809 /nfs/dbraw/zinc/28/88/09/607288809.db2.gz FBXOVDJZPLNJQL-UHFFFAOYSA-N -1 3 350.426 3.401 20 0 FGADHM Cc1c(NC(=O)NCCc2c[nH]c3ccccc23)cccc1-c1nnn[n-]1 ZINC000822095676 607284312 /nfs/dbraw/zinc/28/43/12/607284312.db2.gz GJFYJZHCEZIZLK-UHFFFAOYSA-N -1 3 361.409 3.021 20 0 FGADHM Cc1c(NC(=O)NCCc2c[nH]c3ccccc23)cccc1-c1nn[n-]n1 ZINC000822095676 607284313 /nfs/dbraw/zinc/28/43/13/607284313.db2.gz GJFYJZHCEZIZLK-UHFFFAOYSA-N -1 3 361.409 3.021 20 0 FGADHM CCC(CC)n1ccc(C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000820898212 607302116 /nfs/dbraw/zinc/30/21/16/607302116.db2.gz WLSXRSDJVSCUOA-LBPRGKRZSA-N -1 3 354.414 3.342 20 0 FGADHM CCC(CC)n1ccc(C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000820898212 607302117 /nfs/dbraw/zinc/30/21/17/607302117.db2.gz WLSXRSDJVSCUOA-LBPRGKRZSA-N -1 3 354.414 3.342 20 0 FGADHM CCS[C@@H]1CC[C@H](N(C)C(=O)Nc2cccc(-c3nnn[n-]3)c2C)C1 ZINC000821450006 607289613 /nfs/dbraw/zinc/28/96/13/607289613.db2.gz ZNZFJEVEAQENAZ-QWHCGFSZSA-N -1 3 360.487 3.313 20 0 FGADHM CCS[C@@H]1CC[C@H](N(C)C(=O)Nc2cccc(-c3nn[n-]n3)c2C)C1 ZINC000821450006 607289614 /nfs/dbraw/zinc/28/96/14/607289614.db2.gz ZNZFJEVEAQENAZ-QWHCGFSZSA-N -1 3 360.487 3.313 20 0 FGADHM Cc1c(NC(=O)NC[C@@H]2CCCO[C@H]2C(C)(C)C)cccc1-c1nnn[n-]1 ZINC000822097264 607290213 /nfs/dbraw/zinc/29/02/13/607290213.db2.gz WEYDMFJSYHRQCE-XJKSGUPXSA-N -1 3 372.473 3.138 20 0 FGADHM Cc1c(NC(=O)NC[C@@H]2CCCO[C@H]2C(C)(C)C)cccc1-c1nn[n-]n1 ZINC000822097264 607290214 /nfs/dbraw/zinc/29/02/14/607290214.db2.gz WEYDMFJSYHRQCE-XJKSGUPXSA-N -1 3 372.473 3.138 20 0 FGADHM Cc1c(NC(=O)N(C)C[C@H](C)c2ccccc2)cccc1-c1nnn[n-]1 ZINC000822076726 607290561 /nfs/dbraw/zinc/29/05/61/607290561.db2.gz RHRLGPJNWVSKAY-ZDUSSCGKSA-N -1 3 350.426 3.443 20 0 FGADHM Cc1c(NC(=O)N(C)C[C@H](C)c2ccccc2)cccc1-c1nn[n-]n1 ZINC000822076726 607290562 /nfs/dbraw/zinc/29/05/62/607290562.db2.gz RHRLGPJNWVSKAY-ZDUSSCGKSA-N -1 3 350.426 3.443 20 0 FGADHM Cc1c(NC(=O)N2CCC[C@H]2Cc2ccccc2)cccc1-c1nnn[n-]1 ZINC000822083734 607290703 /nfs/dbraw/zinc/29/07/03/607290703.db2.gz DLKCDRDGQNTUCN-INIZCTEOSA-N -1 3 362.437 3.414 20 0 FGADHM Cc1c(NC(=O)N2CCC[C@H]2Cc2ccccc2)cccc1-c1nn[n-]n1 ZINC000822083734 607290704 /nfs/dbraw/zinc/29/07/04/607290704.db2.gz DLKCDRDGQNTUCN-INIZCTEOSA-N -1 3 362.437 3.414 20 0 FGADHM Cc1c(NC(=O)C2(c3cccc(F)c3)CCC2)cccc1-c1nnn[n-]1 ZINC000822061178 607294831 /nfs/dbraw/zinc/29/48/31/607294831.db2.gz KOAKTEULMWWRDM-UHFFFAOYSA-N -1 3 351.385 3.375 20 0 FGADHM Cc1c(NC(=O)C2(c3cccc(F)c3)CCC2)cccc1-c1nn[n-]n1 ZINC000822061178 607294832 /nfs/dbraw/zinc/29/48/32/607294832.db2.gz KOAKTEULMWWRDM-UHFFFAOYSA-N -1 3 351.385 3.375 20 0 FGADHM CCn1cc(CC(=O)Nc2cccc(-c3nnn[n-]3)c2C)c2ccccc21 ZINC000821565182 607296306 /nfs/dbraw/zinc/29/63/06/607296306.db2.gz HRCSLPYMUHAOQY-UHFFFAOYSA-N -1 3 360.421 3.331 20 0 FGADHM CCn1cc(CC(=O)Nc2cccc(-c3nn[n-]n3)c2C)c2ccccc21 ZINC000821565182 607296307 /nfs/dbraw/zinc/29/63/07/607296307.db2.gz HRCSLPYMUHAOQY-UHFFFAOYSA-N -1 3 360.421 3.331 20 0 FGADHM Cc1c(NC(=O)C2(c3cccc(Cl)c3)CC2)cccc1-c1nnn[n-]1 ZINC000822060862 607296432 /nfs/dbraw/zinc/29/64/32/607296432.db2.gz JOAVDDIDEXTQGV-UHFFFAOYSA-N -1 3 353.813 3.499 20 0 FGADHM Cc1c(NC(=O)C2(c3cccc(Cl)c3)CC2)cccc1-c1nn[n-]n1 ZINC000822060862 607296433 /nfs/dbraw/zinc/29/64/33/607296433.db2.gz JOAVDDIDEXTQGV-UHFFFAOYSA-N -1 3 353.813 3.499 20 0 FGADHM CC(C)[C@H]1CC[C@@H](C)C[C@H]1NC(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000820684172 607299524 /nfs/dbraw/zinc/29/95/24/607299524.db2.gz MTTCNIPZIRSQKR-MPKXVKKWSA-N -1 3 362.865 3.106 20 0 FGADHM CC(C)[C@H]1CC[C@@H](C)C[C@H]1NC(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000820684172 607299525 /nfs/dbraw/zinc/29/95/25/607299525.db2.gz MTTCNIPZIRSQKR-MPKXVKKWSA-N -1 3 362.865 3.106 20 0 FGADHM COc1cc2nc(C)sc2cc1NCc1cc(-c2nnn[n-]2)cs1 ZINC000821727154 607315020 /nfs/dbraw/zinc/31/50/20/607315020.db2.gz DHPCGOYQYZBLKL-UHFFFAOYSA-N -1 3 358.452 3.467 20 0 FGADHM COc1cc2nc(C)sc2cc1NCc1cc(-c2nn[n-]n2)cs1 ZINC000821727154 607315021 /nfs/dbraw/zinc/31/50/21/607315021.db2.gz DHPCGOYQYZBLKL-UHFFFAOYSA-N -1 3 358.452 3.467 20 0 FGADHM CCC(CC)n1ccc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCC3)n1 ZINC000820897396 607303560 /nfs/dbraw/zinc/30/35/60/607303560.db2.gz CTHKKVXQEUGLPD-UHFFFAOYSA-N -1 3 371.470 3.227 20 0 FGADHM CCC(CC)n1ccc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)n1 ZINC000820897396 607303561 /nfs/dbraw/zinc/30/35/61/607303561.db2.gz CTHKKVXQEUGLPD-UHFFFAOYSA-N -1 3 371.470 3.227 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)c1ncnc2ccsc21 ZINC000821109943 607305419 /nfs/dbraw/zinc/30/54/19/607305419.db2.gz TZVBHUKBFDYSBX-UHFFFAOYSA-N -1 3 351.439 3.288 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)c1ncnc2ccsc21 ZINC000821109943 607305420 /nfs/dbraw/zinc/30/54/20/607305420.db2.gz TZVBHUKBFDYSBX-UHFFFAOYSA-N -1 3 351.439 3.288 20 0 FGADHM CCC[C@@H]1[C@H](C)CCCN1C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC000821033484 599273413 /nfs/dbraw/zinc/27/34/13/599273413.db2.gz BTLIWLNSUHWKCC-IUODEOHRSA-N -1 3 358.446 3.308 20 0 FGADHM CCC[C@@H]1[C@H](C)CCCN1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC000821033484 599273416 /nfs/dbraw/zinc/27/34/16/599273416.db2.gz BTLIWLNSUHWKCC-IUODEOHRSA-N -1 3 358.446 3.308 20 0 FGADHM CCOCc1cccc(NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000821384531 599274524 /nfs/dbraw/zinc/27/45/24/599274524.db2.gz YZZROBKRPZJFFE-ZDUSSCGKSA-N -1 3 366.425 3.286 20 0 FGADHM CCOCc1cccc(NC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000821384531 599274526 /nfs/dbraw/zinc/27/45/26/599274526.db2.gz YZZROBKRPZJFFE-ZDUSSCGKSA-N -1 3 366.425 3.286 20 0 FGADHM COc1ccc(CNc2ccc(C)c(-c3ncco3)c2)cc1-c1nnn[n-]1 ZINC000821821810 607318500 /nfs/dbraw/zinc/31/85/00/607318500.db2.gz YEHAPEDGSUWEHR-UHFFFAOYSA-N -1 3 362.393 3.451 20 0 FGADHM COc1ccc(CNc2ccc(C)c(-c3ncco3)c2)cc1-c1nn[n-]n1 ZINC000821821810 607318501 /nfs/dbraw/zinc/31/85/01/607318501.db2.gz YEHAPEDGSUWEHR-UHFFFAOYSA-N -1 3 362.393 3.451 20 0 FGADHM CCc1noc(-c2ccc(C)c(NCc3ccc(-c4nnn[n-]4)s3)c2)n1 ZINC000821553839 607318290 /nfs/dbraw/zinc/31/82/90/607318290.db2.gz KSVVPGNSNVGVGZ-UHFFFAOYSA-N -1 3 367.438 3.461 20 0 FGADHM CCSCC[C@@H](C)N(C)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000821454521 599279111 /nfs/dbraw/zinc/27/91/11/599279111.db2.gz GLYWKNJTVYHSJV-SNVBAGLBSA-N -1 3 352.439 3.001 20 0 FGADHM CCSCC[C@@H](C)N(C)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821454521 599279113 /nfs/dbraw/zinc/27/91/13/599279113.db2.gz GLYWKNJTVYHSJV-SNVBAGLBSA-N -1 3 352.439 3.001 20 0 FGADHM C[C@@H](NC(=O)Nc1ccc(-c2cc[nH]n2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820372661 599281690 /nfs/dbraw/zinc/28/16/90/599281690.db2.gz AYPVOOVWLXYIEB-GFCCVEGCSA-N -1 3 374.408 3.140 20 0 FGADHM C[C@@H](NC(=O)Nc1ccc(-c2cc[nH]n2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820372661 599281692 /nfs/dbraw/zinc/28/16/92/599281692.db2.gz AYPVOOVWLXYIEB-GFCCVEGCSA-N -1 3 374.408 3.140 20 0 FGADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1CCc2ccc(F)cc2C1 ZINC000822337280 607332031 /nfs/dbraw/zinc/33/20/31/607332031.db2.gz WYVIILUAODNWOA-UHFFFAOYSA-N -1 3 360.396 3.425 20 0 FGADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N1CCc2ccc(F)cc2C1 ZINC000822337280 607332032 /nfs/dbraw/zinc/33/20/32/607332032.db2.gz WYVIILUAODNWOA-UHFFFAOYSA-N -1 3 360.396 3.425 20 0 FGADHM Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)c1cccc(C(=O)[O-])c1 ZINC000821103456 598150893 /nfs/dbraw/zinc/15/08/93/598150893.db2.gz JQGCKANDDGEEEO-PKOBYXMFSA-N -1 3 350.418 3.141 20 0 FGADHM O=C(C1CCCCCC1)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000737784043 598238763 /nfs/dbraw/zinc/23/87/63/598238763.db2.gz LUFBDKHULODZHC-UHFFFAOYSA-N -1 3 369.469 3.207 20 0 FGADHM O=C(C1CCCCCC1)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000737784043 598238764 /nfs/dbraw/zinc/23/87/64/598238764.db2.gz LUFBDKHULODZHC-UHFFFAOYSA-N -1 3 369.469 3.207 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N1CC[C@H](c2cccc(F)c2)C1 ZINC000737802943 598243239 /nfs/dbraw/zinc/24/32/39/598243239.db2.gz YWQYILOBUUEKQH-FDMDGMSGSA-N -1 3 363.396 3.035 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N1CC[C@H](c2cccc(F)c2)C1 ZINC000737802943 598243240 /nfs/dbraw/zinc/24/32/40/598243240.db2.gz YWQYILOBUUEKQH-FDMDGMSGSA-N -1 3 363.396 3.035 20 0 FGADHM COc1c(C)cc(CN(C)c2nc(C)cc(C)c2-c2nnn[n-]2)cc1C ZINC000737025523 598247949 /nfs/dbraw/zinc/24/79/49/598247949.db2.gz ZRBGJVQOMJTCMN-UHFFFAOYSA-N -1 3 352.442 3.140 20 0 FGADHM COc1c(C)cc(CN(C)c2nc(C)cc(C)c2-c2nn[n-]n2)cc1C ZINC000737025523 598247951 /nfs/dbraw/zinc/24/79/51/598247951.db2.gz ZRBGJVQOMJTCMN-UHFFFAOYSA-N -1 3 352.442 3.140 20 0 FGADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OCc1cccc(NC(C)=O)c1 ZINC000737025908 598248259 /nfs/dbraw/zinc/24/82/59/598248259.db2.gz PBMOHWWYZVAPPD-UHFFFAOYSA-N -1 3 373.800 3.066 20 0 FGADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OCc1cccc(NC(C)=O)c1 ZINC000737025908 598248261 /nfs/dbraw/zinc/24/82/61/598248261.db2.gz PBMOHWWYZVAPPD-UHFFFAOYSA-N -1 3 373.800 3.066 20 0 FGADHM c1c(CN2CCc3[nH]c4ccccc4c3C2)c(-c2nnn[n-]2)c2ccccn12 ZINC000738439728 598251631 /nfs/dbraw/zinc/25/16/31/598251631.db2.gz CBPYIRRHUMDSNV-UHFFFAOYSA-N -1 3 369.432 3.159 20 0 FGADHM c1c(CN2CCc3[nH]c4ccccc4c3C2)c(-c2nn[n-]n2)c2ccccn12 ZINC000738439728 598251632 /nfs/dbraw/zinc/25/16/32/598251632.db2.gz CBPYIRRHUMDSNV-UHFFFAOYSA-N -1 3 369.432 3.159 20 0 FGADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H]1CCC[C@@H]1C ZINC000735830489 598256804 /nfs/dbraw/zinc/25/68/04/598256804.db2.gz GYMLRWWZGSGIKQ-WMLDXEAASA-N -1 3 356.474 3.223 20 0 FGADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1CCC[C@@H]1C ZINC000735830489 598256806 /nfs/dbraw/zinc/25/68/06/598256806.db2.gz GYMLRWWZGSGIKQ-WMLDXEAASA-N -1 3 356.474 3.223 20 0 FGADHM CCC(CC)CNC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC000736342920 598257415 /nfs/dbraw/zinc/25/74/15/598257415.db2.gz UBYWEEXZQODGBA-UHFFFAOYSA-N -1 3 358.490 3.471 20 0 FGADHM CCC(CC)CNC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC000736342920 598257417 /nfs/dbraw/zinc/25/74/17/598257417.db2.gz UBYWEEXZQODGBA-UHFFFAOYSA-N -1 3 358.490 3.471 20 0 FGADHM CCN(CCC(F)(F)F)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736538064 598263827 /nfs/dbraw/zinc/26/38/27/598263827.db2.gz RUGHTFFQNWVMCQ-UHFFFAOYSA-N -1 3 362.743 3.326 20 0 FGADHM CCN(CCC(F)(F)F)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736538064 598263829 /nfs/dbraw/zinc/26/38/29/598263829.db2.gz RUGHTFFQNWVMCQ-UHFFFAOYSA-N -1 3 362.743 3.326 20 0 FGADHM CCC[C@@H](NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccccn1 ZINC000736431448 598265201 /nfs/dbraw/zinc/26/52/01/598265201.db2.gz GLUDOWPBDALRCP-OAHLLOKOSA-N -1 3 355.377 3.064 20 0 FGADHM CCC[C@@H](NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccccn1 ZINC000736431448 598265203 /nfs/dbraw/zinc/26/52/03/598265203.db2.gz GLUDOWPBDALRCP-OAHLLOKOSA-N -1 3 355.377 3.064 20 0 FGADHM Cn1ccnc1[C@@H](Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccccc1 ZINC000737616704 598275077 /nfs/dbraw/zinc/27/50/77/598275077.db2.gz VZZPPJHZKKNHIA-INIZCTEOSA-N -1 3 365.828 3.455 20 0 FGADHM Cn1ccnc1[C@@H](Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccccc1 ZINC000737616704 598275079 /nfs/dbraw/zinc/27/50/79/598275079.db2.gz VZZPPJHZKKNHIA-INIZCTEOSA-N -1 3 365.828 3.455 20 0 FGADHM COc1cc2c(cc1OC)CN(c1ccc(-c3nnn[n-]3)c(Cl)c1)CC2 ZINC000737055253 598275112 /nfs/dbraw/zinc/27/51/12/598275112.db2.gz LPYDTWJRTOOJJP-UHFFFAOYSA-N -1 3 371.828 3.100 20 0 FGADHM COc1cc2c(cc1OC)CN(c1ccc(-c3nn[n-]n3)c(Cl)c1)CC2 ZINC000737055253 598275113 /nfs/dbraw/zinc/27/51/13/598275113.db2.gz LPYDTWJRTOOJJP-UHFFFAOYSA-N -1 3 371.828 3.100 20 0 FGADHM C[C@@H]1CCC[C@H](N(C)C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)C1 ZINC000736247405 598278017 /nfs/dbraw/zinc/27/80/17/598278017.db2.gz COTXVUHLDUIAKH-OCCSQVGLSA-N -1 3 359.478 3.466 20 0 FGADHM C[C@@H]1CCC[C@H](N(C)C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)C1 ZINC000736247405 598278018 /nfs/dbraw/zinc/27/80/18/598278018.db2.gz COTXVUHLDUIAKH-OCCSQVGLSA-N -1 3 359.478 3.466 20 0 FGADHM C[C@@H](c1cccnc1)N(C)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736205785 598280913 /nfs/dbraw/zinc/28/09/13/598280913.db2.gz ZDCGJQAPETZSSE-LBPRGKRZSA-N -1 3 368.445 3.043 20 0 FGADHM C[C@@H](c1cccnc1)N(C)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736205785 598280915 /nfs/dbraw/zinc/28/09/15/598280915.db2.gz ZDCGJQAPETZSSE-LBPRGKRZSA-N -1 3 368.445 3.043 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NCc1ccc(F)c(Cl)c1 ZINC000737295429 598292949 /nfs/dbraw/zinc/29/29/49/598292949.db2.gz WDLSNEJKHVPUHT-UHFFFAOYSA-N -1 3 360.780 3.289 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NCc1ccc(F)c(Cl)c1 ZINC000737295429 598292950 /nfs/dbraw/zinc/29/29/50/598292950.db2.gz WDLSNEJKHVPUHT-UHFFFAOYSA-N -1 3 360.780 3.289 20 0 FGADHM CC(C)(C(=O)NCc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1Cl ZINC000735581554 598296652 /nfs/dbraw/zinc/29/66/52/598296652.db2.gz XIBIWVKCCJETJR-UHFFFAOYSA-N -1 3 373.819 3.253 20 0 FGADHM CC(C)(C(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1Cl ZINC000735581554 598296654 /nfs/dbraw/zinc/29/66/54/598296654.db2.gz XIBIWVKCCJETJR-UHFFFAOYSA-N -1 3 373.819 3.253 20 0 FGADHM CCc1ccc(NC(=S)NCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000736691009 598297539 /nfs/dbraw/zinc/29/75/39/598297539.db2.gz MQWXVLTZIWSESX-UHFFFAOYSA-N -1 3 356.430 3.055 20 0 FGADHM CCc1ccc(NC(=S)NCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000736691009 598297540 /nfs/dbraw/zinc/29/75/40/598297540.db2.gz MQWXVLTZIWSESX-UHFFFAOYSA-N -1 3 356.430 3.055 20 0 FGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000738099423 598299760 /nfs/dbraw/zinc/29/97/60/598299760.db2.gz DTEWSRRSVYDFIY-LSDHHAIUSA-N -1 3 371.803 3.079 20 0 FGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000738099423 598299762 /nfs/dbraw/zinc/29/97/62/598299762.db2.gz DTEWSRRSVYDFIY-LSDHHAIUSA-N -1 3 371.803 3.079 20 0 FGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)[C@@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000738099420 598299857 /nfs/dbraw/zinc/29/98/57/598299857.db2.gz DTEWSRRSVYDFIY-HUUCEWRRSA-N -1 3 371.803 3.079 20 0 FGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)[C@@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000738099420 598299860 /nfs/dbraw/zinc/29/98/60/598299860.db2.gz DTEWSRRSVYDFIY-HUUCEWRRSA-N -1 3 371.803 3.079 20 0 FGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)C1(c2ccc(Cl)cc2)CC1 ZINC000738099272 598305644 /nfs/dbraw/zinc/30/56/44/598305644.db2.gz BGTNKXDMHBTMDJ-UHFFFAOYSA-N -1 3 371.803 3.007 20 0 FGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)C1(c2ccc(Cl)cc2)CC1 ZINC000738099272 598305646 /nfs/dbraw/zinc/30/56/46/598305646.db2.gz BGTNKXDMHBTMDJ-UHFFFAOYSA-N -1 3 371.803 3.007 20 0 FGADHM C[C@H](SCc1ccccc1)C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000736190681 598307641 /nfs/dbraw/zinc/30/76/41/598307641.db2.gz GQEHLITXHSEDMF-LBPRGKRZSA-N -1 3 371.441 3.291 20 0 FGADHM C[C@H](SCc1ccccc1)C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000736190681 598307640 /nfs/dbraw/zinc/30/76/40/598307640.db2.gz GQEHLITXHSEDMF-LBPRGKRZSA-N -1 3 371.441 3.291 20 0 FGADHM CCCC[C@@H]1CCC[C@@H]1NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000736440878 598320677 /nfs/dbraw/zinc/32/06/77/598320677.db2.gz HMNHUVZIGWIUMJ-WBMJQRKESA-N -1 3 360.437 3.164 20 0 FGADHM CCCC[C@@H]1CCC[C@@H]1NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000736440878 598320679 /nfs/dbraw/zinc/32/06/79/598320679.db2.gz HMNHUVZIGWIUMJ-WBMJQRKESA-N -1 3 360.437 3.164 20 0 FGADHM Fc1ccc2c(c1)N(C(=S)Nc1ccc(-c3nnn[n-]3)c(Cl)c1)CC2 ZINC000737664955 598324194 /nfs/dbraw/zinc/32/41/94/598324194.db2.gz GQOIELYTHUBHKY-UHFFFAOYSA-N -1 3 374.832 3.419 20 0 FGADHM Fc1ccc2c(c1)N(C(=S)Nc1ccc(-c3nn[n-]n3)c(Cl)c1)CC2 ZINC000737664955 598324196 /nfs/dbraw/zinc/32/41/96/598324196.db2.gz GQOIELYTHUBHKY-UHFFFAOYSA-N -1 3 374.832 3.419 20 0 FGADHM O=C(Oc1ccccc1)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000738248197 598326165 /nfs/dbraw/zinc/32/61/65/598326165.db2.gz WQAPKOJYTJNFOP-UHFFFAOYSA-N -1 3 362.345 3.258 20 0 FGADHM O=C(Oc1ccccc1)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000738248197 598326166 /nfs/dbraw/zinc/32/61/66/598326166.db2.gz WQAPKOJYTJNFOP-UHFFFAOYSA-N -1 3 362.345 3.258 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1nccc2ccccc21 ZINC000736635789 598330556 /nfs/dbraw/zinc/33/05/56/598330556.db2.gz ZFYUMSJDBKKVLO-UHFFFAOYSA-N -1 3 360.377 3.066 20 0 FGADHM C[C@H](NC(=O)[C@@H]1CCCc2sccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820323591 607351890 /nfs/dbraw/zinc/35/18/90/607351890.db2.gz YIUAFHMZOYNNBL-XHDPSFHLSA-N -1 3 353.451 3.226 20 0 FGADHM C[C@H](NC(=O)[C@@H]1CCCc2sccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820323591 607351892 /nfs/dbraw/zinc/35/18/92/607351892.db2.gz YIUAFHMZOYNNBL-XHDPSFHLSA-N -1 3 353.451 3.226 20 0 FGADHM Cc1nnc(Nc2ccc(Nc3ccccc3)nc2)c(-c2nnn[n-]2)c1C ZINC000737534745 598351563 /nfs/dbraw/zinc/35/15/63/598351563.db2.gz WJIVGGASRVAASX-UHFFFAOYSA-N -1 3 359.397 3.156 20 0 FGADHM Cc1nnc(Nc2ccc(Nc3ccccc3)nc2)c(-c2nn[n-]n2)c1C ZINC000737534745 598351565 /nfs/dbraw/zinc/35/15/65/598351565.db2.gz WJIVGGASRVAASX-UHFFFAOYSA-N -1 3 359.397 3.156 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)C[C@@H](C)c1ccccc1F ZINC000737025311 598365055 /nfs/dbraw/zinc/36/50/55/598365055.db2.gz PGPOSCQRYZEVBT-LLVKDONJSA-N -1 3 356.357 3.114 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)C[C@@H](C)c1ccccc1F ZINC000737025311 598365057 /nfs/dbraw/zinc/36/50/57/598365057.db2.gz PGPOSCQRYZEVBT-LLVKDONJSA-N -1 3 356.357 3.114 20 0 FGADHM Cc1ccc(NC(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1OCC(F)F ZINC000737361766 598369422 /nfs/dbraw/zinc/36/94/22/598369422.db2.gz ZSWNQUFALVQTFH-UHFFFAOYSA-N -1 3 374.351 3.463 20 0 FGADHM Cc1ccc(NC(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1OCC(F)F ZINC000737361766 598369424 /nfs/dbraw/zinc/36/94/24/598369424.db2.gz ZSWNQUFALVQTFH-UHFFFAOYSA-N -1 3 374.351 3.463 20 0 FGADHM O=C1OC(c2ccc(-c3nnn[n-]3)cc2)=NC1=Cc1ccc2ccccc2c1 ZINC000738321734 598381342 /nfs/dbraw/zinc/38/13/42/598381342.db2.gz XPVXVOAOYAZWMY-LDADJPATSA-N -1 3 367.368 3.364 20 0 FGADHM O=C1OC(c2ccc(-c3nn[n-]n3)cc2)=NC1=Cc1ccc2ccccc2c1 ZINC000738321734 598381344 /nfs/dbraw/zinc/38/13/44/598381344.db2.gz XPVXVOAOYAZWMY-LDADJPATSA-N -1 3 367.368 3.364 20 0 FGADHM CCCCN(C(=O)CNc1ccc(-c2nn[n-]n2)cc1)C1CCCCC1 ZINC000736451284 598384023 /nfs/dbraw/zinc/38/40/23/598384023.db2.gz IYRIILPLSJXVOI-UHFFFAOYSA-N -1 3 356.474 3.240 20 0 FGADHM Cc1ccc2[nH]c3c(c2c1)CN(c1ncc(-c2nnn[n-]2)cc1Cl)CC3 ZINC000737373003 598389318 /nfs/dbraw/zinc/38/93/18/598389318.db2.gz PDQMRACGCJONRP-UHFFFAOYSA-N -1 3 365.828 3.268 20 0 FGADHM Cc1ccc2[nH]c3c(c2c1)CN(c1ncc(-c2nn[n-]n2)cc1Cl)CC3 ZINC000737373003 598389320 /nfs/dbraw/zinc/38/93/20/598389320.db2.gz PDQMRACGCJONRP-UHFFFAOYSA-N -1 3 365.828 3.268 20 0 FGADHM C[C@@H](NC(=O)N1CCc2ccccc2[C@@H]1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736114610 598390993 /nfs/dbraw/zinc/39/09/93/598390993.db2.gz UYGPSILJCAYCAV-KGLIPLIRSA-N -1 3 362.437 3.257 20 0 FGADHM C[C@@H](NC(=O)N1CCc2ccccc2[C@@H]1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736114610 598390995 /nfs/dbraw/zinc/39/09/95/598390995.db2.gz UYGPSILJCAYCAV-KGLIPLIRSA-N -1 3 362.437 3.257 20 0 FGADHM CO[C@@H](C)c1cccc(N[C@H](C)C(=O)Nc2ccccc2-c2nnn[n-]2)c1 ZINC000736962048 598397056 /nfs/dbraw/zinc/39/70/56/598397056.db2.gz MZWMYYWPXGNIJY-OLZOCXBDSA-N -1 3 366.425 3.013 20 0 FGADHM CO[C@@H](C)c1cccc(N[C@H](C)C(=O)Nc2ccccc2-c2nn[n-]n2)c1 ZINC000736962048 598397057 /nfs/dbraw/zinc/39/70/57/598397057.db2.gz MZWMYYWPXGNIJY-OLZOCXBDSA-N -1 3 366.425 3.013 20 0 FGADHM O=C(CC1=CCCCC1)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737807135 598397744 /nfs/dbraw/zinc/39/77/44/598397744.db2.gz LDHMTZIKAYYCNH-UHFFFAOYSA-N -1 3 367.453 3.127 20 0 FGADHM Cc1nc(C)c([C@@H](C)N(C)C(=O)C=Cc2ccccc2-c2nnn[n-]2)s1 ZINC000737471488 598400858 /nfs/dbraw/zinc/40/08/58/598400858.db2.gz RKHUNVSRPGPOOK-ZWLSGLHFSA-N -1 3 368.466 3.173 20 0 FGADHM Cc1nc(C)c([C@@H](C)N(C)C(=O)C=Cc2ccccc2-c2nn[n-]n2)s1 ZINC000737471488 598400859 /nfs/dbraw/zinc/40/08/59/598400859.db2.gz RKHUNVSRPGPOOK-ZWLSGLHFSA-N -1 3 368.466 3.173 20 0 FGADHM COc1ccccc1C/C(C)=C\C(=O)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000737154298 598412591 /nfs/dbraw/zinc/41/25/91/598412591.db2.gz ZRROUFAHLFBQQJ-OWBHPGMISA-N -1 3 364.405 3.108 20 0 FGADHM COc1ccccc1C/C(C)=C\C(=O)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000737154298 598412592 /nfs/dbraw/zinc/41/25/92/598412592.db2.gz ZRROUFAHLFBQQJ-OWBHPGMISA-N -1 3 364.405 3.108 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H]1CCc2ccc(F)cc21 ZINC000737294444 598413427 /nfs/dbraw/zinc/41/34/27/598413427.db2.gz OOEPERQEVFYZNB-HNNXBMFYSA-N -1 3 352.373 3.123 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H]1CCc2ccc(F)cc21 ZINC000737294444 598413428 /nfs/dbraw/zinc/41/34/28/598413428.db2.gz OOEPERQEVFYZNB-HNNXBMFYSA-N -1 3 352.373 3.123 20 0 FGADHM C[C@H](NC(=O)CNc1cccc(-c2nnn[n-]2)c1)c1cccc2ccccc21 ZINC000736104410 598419761 /nfs/dbraw/zinc/41/97/61/598419761.db2.gz HEYDBJNEIBHMJB-AWEZNQCLSA-N -1 3 372.432 3.309 20 0 FGADHM C[C@H](NC(=O)CNc1cccc(-c2nn[n-]n2)c1)c1cccc2ccccc21 ZINC000736104410 598419763 /nfs/dbraw/zinc/41/97/63/598419763.db2.gz HEYDBJNEIBHMJB-AWEZNQCLSA-N -1 3 372.432 3.309 20 0 FGADHM Cc1cc(C)c(C)c(OCCC(=O)Nc2sccc2-c2nnn[n-]2)c1 ZINC000737247527 598422151 /nfs/dbraw/zinc/42/21/51/598422151.db2.gz WYNRMSDLLODXRN-UHFFFAOYSA-N -1 3 357.439 3.261 20 0 FGADHM Cc1cc(C)c(C)c(OCCC(=O)Nc2sccc2-c2nn[n-]n2)c1 ZINC000737247527 598422153 /nfs/dbraw/zinc/42/21/53/598422153.db2.gz WYNRMSDLLODXRN-UHFFFAOYSA-N -1 3 357.439 3.261 20 0 FGADHM Cc1cc(C)cc([C@H](C)NC(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)c1 ZINC000737252849 598423031 /nfs/dbraw/zinc/42/30/31/598423031.db2.gz MOXUSMPPHFXJCH-LSDHHAIUSA-N -1 3 365.437 3.128 20 0 FGADHM Cc1cc(C)cc([C@H](C)NC(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)c1 ZINC000737252849 598423033 /nfs/dbraw/zinc/42/30/33/598423033.db2.gz MOXUSMPPHFXJCH-LSDHHAIUSA-N -1 3 365.437 3.128 20 0 FGADHM CCCCN(C)c1ccc(NC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736452214 598424570 /nfs/dbraw/zinc/42/45/70/598424570.db2.gz CMJBTMMWOQIZQY-UHFFFAOYSA-N -1 3 350.426 3.355 20 0 FGADHM CCCCN(C)c1ccc(NC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736452214 598424572 /nfs/dbraw/zinc/42/45/72/598424572.db2.gz CMJBTMMWOQIZQY-UHFFFAOYSA-N -1 3 350.426 3.355 20 0 FGADHM CCN(Cc1c(C)nn(C)c1Cl)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736555637 598425914 /nfs/dbraw/zinc/42/59/14/598425914.db2.gz OGAXXHHVGNAIJW-LBPRGKRZSA-N -1 3 359.865 3.145 20 0 FGADHM COc1ccc(NC(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c(C)c1 ZINC000737105381 598428640 /nfs/dbraw/zinc/42/86/40/598428640.db2.gz YWARUGGOCGZVSG-GFCCVEGCSA-N -1 3 352.398 3.066 20 0 FGADHM COc1ccc(NC(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c(C)c1 ZINC000737105381 598428642 /nfs/dbraw/zinc/42/86/42/598428642.db2.gz YWARUGGOCGZVSG-GFCCVEGCSA-N -1 3 352.398 3.066 20 0 FGADHM CN(Cc1ccc(F)cc1Cl)C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000736818824 598429809 /nfs/dbraw/zinc/42/98/09/598429809.db2.gz CDDZMASCKJCAEH-UHFFFAOYSA-N -1 3 374.807 3.001 20 0 FGADHM CN(Cc1ccc(F)cc1Cl)C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000736818824 598429810 /nfs/dbraw/zinc/42/98/10/598429810.db2.gz CDDZMASCKJCAEH-UHFFFAOYSA-N -1 3 374.807 3.001 20 0 FGADHM Cc1cc(C)c(C)c(OCCC(=O)OCc2ccccc2-c2nnn[n-]2)c1 ZINC000737246572 598433188 /nfs/dbraw/zinc/43/31/88/598433188.db2.gz LOLFRHJAVCPBNM-UHFFFAOYSA-N -1 3 366.421 3.304 20 0 FGADHM Cc1cc(C)c(C)c(OCCC(=O)OCc2ccccc2-c2nn[n-]n2)c1 ZINC000737246572 598433189 /nfs/dbraw/zinc/43/31/89/598433189.db2.gz LOLFRHJAVCPBNM-UHFFFAOYSA-N -1 3 366.421 3.304 20 0 FGADHM CCc1ccc(Cl)c(CC)c1NC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000736693256 598437170 /nfs/dbraw/zinc/43/71/70/598437170.db2.gz ZTUASOLXKCULKW-UHFFFAOYSA-N -1 3 356.817 3.292 20 0 FGADHM CCc1ccc(Cl)c(CC)c1NC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000736693256 598437171 /nfs/dbraw/zinc/43/71/71/598437171.db2.gz ZTUASOLXKCULKW-UHFFFAOYSA-N -1 3 356.817 3.292 20 0 FGADHM C[C@@H](c1ccccc1Cl)N(C(=O)c1ccc(-c2nnn[n-]2)cn1)C1CC1 ZINC000736204909 598441746 /nfs/dbraw/zinc/44/17/46/598441746.db2.gz SVHSUUDUQJIHQZ-NSHDSACASA-N -1 3 368.828 3.281 20 0 FGADHM C[C@@H](c1ccccc1Cl)N(C(=O)c1ccc(-c2nn[n-]n2)cn1)C1CC1 ZINC000736204909 598441748 /nfs/dbraw/zinc/44/17/48/598441748.db2.gz SVHSUUDUQJIHQZ-NSHDSACASA-N -1 3 368.828 3.281 20 0 FGADHM O=C(N[C@@H](c1ccccc1)C1CCCCC1)c1ccc(-c2nnn[n-]2)cn1 ZINC000738003309 598444817 /nfs/dbraw/zinc/44/48/17/598444817.db2.gz VTNIAKORZUPIMH-SFHVURJKSA-N -1 3 362.437 3.313 20 0 FGADHM O=C(N[C@@H](c1ccccc1)C1CCCCC1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738003309 598444818 /nfs/dbraw/zinc/44/48/18/598444818.db2.gz VTNIAKORZUPIMH-SFHVURJKSA-N -1 3 362.437 3.313 20 0 FGADHM COc1ccc2cc(NC(=O)C=Cc3ccccc3-c3nnn[n-]3)ccc2n1 ZINC000737120355 598447670 /nfs/dbraw/zinc/44/76/70/598447670.db2.gz MJLXHCCGRDKSMU-UXBLZVDNSA-N -1 3 372.388 3.075 20 0 FGADHM COc1ccc2cc(NC(=O)C=Cc3ccccc3-c3nn[n-]n3)ccc2n1 ZINC000737120355 598447672 /nfs/dbraw/zinc/44/76/72/598447672.db2.gz MJLXHCCGRDKSMU-UXBLZVDNSA-N -1 3 372.388 3.075 20 0 FGADHM CCSc1ccc(Cl)cc1NC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000736667944 598453935 /nfs/dbraw/zinc/45/39/35/598453935.db2.gz SIFJHYRZXINQPC-UHFFFAOYSA-N -1 3 360.830 3.279 20 0 FGADHM CCSc1ccc(Cl)cc1NC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000736667944 598453936 /nfs/dbraw/zinc/45/39/36/598453936.db2.gz SIFJHYRZXINQPC-UHFFFAOYSA-N -1 3 360.830 3.279 20 0 FGADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1)c1cc(F)c(Cl)nc1Cl ZINC000738230698 598474009 /nfs/dbraw/zinc/47/40/09/598474009.db2.gz IMJLGAWUNQLRJC-UHFFFAOYSA-N -1 3 368.155 3.065 20 0 FGADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1)c1cc(F)c(Cl)nc1Cl ZINC000738230698 598474010 /nfs/dbraw/zinc/47/40/10/598474010.db2.gz IMJLGAWUNQLRJC-UHFFFAOYSA-N -1 3 368.155 3.065 20 0 FGADHM C[C@H]1CCC[C@H](CNC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)C1 ZINC000736254305 598479392 /nfs/dbraw/zinc/47/93/92/598479392.db2.gz YNZBNRKASCTRHF-HOCLYGCPSA-N -1 3 368.485 3.367 20 0 FGADHM C[C@H]1CCC[C@H](CNC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)C1 ZINC000736254305 598479394 /nfs/dbraw/zinc/47/93/94/598479394.db2.gz YNZBNRKASCTRHF-HOCLYGCPSA-N -1 3 368.485 3.367 20 0 FGADHM C[C@H](OC(=O)CCCOc1cccc(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000736147175 598482586 /nfs/dbraw/zinc/48/25/86/598482586.db2.gz BYUUEWFJMGAVIK-ZDUSSCGKSA-N -1 3 370.384 3.469 20 0 FGADHM C[C@H](OC(=O)CCCOc1cccc(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000736147175 598482588 /nfs/dbraw/zinc/48/25/88/598482588.db2.gz BYUUEWFJMGAVIK-ZDUSSCGKSA-N -1 3 370.384 3.469 20 0 FGADHM CC[C@@](C)(NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC)c1ccccc1 ZINC000736315958 598483433 /nfs/dbraw/zinc/48/34/33/598483433.db2.gz SQEOYJMIURHGDQ-LJQANCHMSA-N -1 3 366.425 3.322 20 0 FGADHM CC[C@@](C)(NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC)c1ccccc1 ZINC000736315958 598483435 /nfs/dbraw/zinc/48/34/35/598483435.db2.gz SQEOYJMIURHGDQ-LJQANCHMSA-N -1 3 366.425 3.322 20 0 FGADHM C[C@@H](OCc1ccccc1)C(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000736165468 598484729 /nfs/dbraw/zinc/48/47/29/598484729.db2.gz VDYIWPZNJWNVNT-ZIAGYGMSSA-N -1 3 352.394 3.076 20 0 FGADHM C[C@@H](OCc1ccccc1)C(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000736165468 598484731 /nfs/dbraw/zinc/48/47/31/598484731.db2.gz VDYIWPZNJWNVNT-ZIAGYGMSSA-N -1 3 352.394 3.076 20 0 FGADHM C[C@@H](OC(=O)CCC(=O)c1cccs1)c1cccc(-c2nnn[n-]2)c1 ZINC000736151699 598490024 /nfs/dbraw/zinc/49/00/24/598490024.db2.gz RTIDAKMZIGBQBF-LLVKDONJSA-N -1 3 356.407 3.196 20 0 FGADHM C[C@@H](OC(=O)CCC(=O)c1cccs1)c1cccc(-c2nn[n-]n2)c1 ZINC000736151699 598490026 /nfs/dbraw/zinc/49/00/26/598490026.db2.gz RTIDAKMZIGBQBF-LLVKDONJSA-N -1 3 356.407 3.196 20 0 FGADHM C[C@@H](OC(=O)c1cc2ccccc2c(=O)[nH]1)c1cccc(-c2nnn[n-]2)c1 ZINC000736158737 598491945 /nfs/dbraw/zinc/49/19/45/598491945.db2.gz IOJBIPWOIDOZFF-LLVKDONJSA-N -1 3 361.361 3.039 20 0 FGADHM C[C@@H](OC(=O)c1cc2ccccc2c(=O)[nH]1)c1cccc(-c2nn[n-]n2)c1 ZINC000736158737 598491947 /nfs/dbraw/zinc/49/19/47/598491947.db2.gz IOJBIPWOIDOZFF-LLVKDONJSA-N -1 3 361.361 3.039 20 0 FGADHM CC1CCC(OC2CCN(C(=O)c3cccc(-c4nnn[n-]4)c3)CC2)CC1 ZINC000736244391 598494170 /nfs/dbraw/zinc/49/41/70/598494170.db2.gz GVLHZFTTXPTRDW-UHFFFAOYSA-N -1 3 369.469 3.067 20 0 FGADHM CC1CCC(OC2CCN(C(=O)c3cccc(-c4nn[n-]n4)c3)CC2)CC1 ZINC000736244391 598494171 /nfs/dbraw/zinc/49/41/71/598494171.db2.gz GVLHZFTTXPTRDW-UHFFFAOYSA-N -1 3 369.469 3.067 20 0 FGADHM CCc1ccc([C@@H](C)C(=O)Oc2ccc(-c3nnn[n-]3)cc2OC)cc1 ZINC000736692148 598498370 /nfs/dbraw/zinc/49/83/70/598498370.db2.gz ZLJMTDUOIJEFTG-GFCCVEGCSA-N -1 3 352.394 3.147 20 0 FGADHM CCc1ccc([C@@H](C)C(=O)Oc2ccc(-c3nn[n-]n3)cc2OC)cc1 ZINC000736692148 598498372 /nfs/dbraw/zinc/49/83/72/598498372.db2.gz ZLJMTDUOIJEFTG-GFCCVEGCSA-N -1 3 352.394 3.147 20 0 FGADHM COc1ccc(OCCN(C)c2ccc(Cl)cc2-c2nnn[n-]2)cc1 ZINC000737109673 598506158 /nfs/dbraw/zinc/50/61/58/598506158.db2.gz LWMPFMLHMUYKDM-UHFFFAOYSA-N -1 3 359.817 3.044 20 0 FGADHM COc1ccc(OCCN(C)c2ccc(Cl)cc2-c2nn[n-]n2)cc1 ZINC000737109673 598506160 /nfs/dbraw/zinc/50/61/60/598506160.db2.gz LWMPFMLHMUYKDM-UHFFFAOYSA-N -1 3 359.817 3.044 20 0 FGADHM CCc1c(C)sc(NC(=O)c2ccc(COC)cc2)c1-c1nnn[n-]1 ZINC000736677139 598518235 /nfs/dbraw/zinc/51/82/35/598518235.db2.gz ZWQZQGQEXREVIL-UHFFFAOYSA-N -1 3 357.439 3.198 20 0 FGADHM CCc1c(C)sc(NC(=O)c2ccc(COC)cc2)c1-c1nn[n-]n1 ZINC000736677139 598518237 /nfs/dbraw/zinc/51/82/37/598518237.db2.gz ZWQZQGQEXREVIL-UHFFFAOYSA-N -1 3 357.439 3.198 20 0 FGADHM CCCCOc1ccccc1NCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000736463938 598522859 /nfs/dbraw/zinc/52/28/59/598522859.db2.gz SZUWNHFBIWHPAZ-UHFFFAOYSA-N -1 3 366.425 3.096 20 0 FGADHM CCCCOc1ccccc1NCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000736463938 598522860 /nfs/dbraw/zinc/52/28/60/598522860.db2.gz SZUWNHFBIWHPAZ-UHFFFAOYSA-N -1 3 366.425 3.096 20 0 FGADHM Cc1ccc(C[C@H](C)NC(=O)CCc2ccc(-c3nnn[n-]3)cc2)c(C)c1 ZINC000737334377 598534891 /nfs/dbraw/zinc/53/48/91/598534891.db2.gz GTBZBYDVCHMMHC-INIZCTEOSA-N -1 3 363.465 3.164 20 0 FGADHM Cc1ccc(C[C@H](C)NC(=O)CCc2ccc(-c3nn[n-]n3)cc2)c(C)c1 ZINC000737334377 598534892 /nfs/dbraw/zinc/53/48/92/598534892.db2.gz GTBZBYDVCHMMHC-INIZCTEOSA-N -1 3 363.465 3.164 20 0 FGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)N(CC1CC1)C1CCCCC1 ZINC000738101909 598534935 /nfs/dbraw/zinc/53/49/35/598534935.db2.gz MSMLZDKCMRTORB-UHFFFAOYSA-N -1 3 354.458 3.121 20 0 FGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)N(CC1CC1)C1CCCCC1 ZINC000738101909 598534937 /nfs/dbraw/zinc/53/49/37/598534937.db2.gz MSMLZDKCMRTORB-UHFFFAOYSA-N -1 3 354.458 3.121 20 0 FGADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)N(CC1CC1)C1CCCCC1 ZINC000738112745 598535325 /nfs/dbraw/zinc/53/53/25/598535325.db2.gz RKOFIYLKQVWQBS-UHFFFAOYSA-N -1 3 354.458 3.121 20 0 FGADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)N(CC1CC1)C1CCCCC1 ZINC000738112745 598535326 /nfs/dbraw/zinc/53/53/26/598535326.db2.gz RKOFIYLKQVWQBS-UHFFFAOYSA-N -1 3 354.458 3.121 20 0 FGADHM c1cc(OCCSCc2noc3c2CCCC3)cc(-c2nnn[n-]2)c1 ZINC000738417933 598541511 /nfs/dbraw/zinc/54/15/11/598541511.db2.gz FHJUNRVQEHFJOF-UHFFFAOYSA-N -1 3 357.439 3.046 20 0 FGADHM c1cc(OCCSCc2noc3c2CCCC3)cc(-c2nn[n-]n2)c1 ZINC000738417933 598541512 /nfs/dbraw/zinc/54/15/12/598541512.db2.gz FHJUNRVQEHFJOF-UHFFFAOYSA-N -1 3 357.439 3.046 20 0 FGADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)c1ccc(Cl)cc1 ZINC000738145456 598548996 /nfs/dbraw/zinc/54/89/96/598548996.db2.gz LYNUUWUPZMUTKN-UHFFFAOYSA-N -1 3 365.727 3.374 20 0 FGADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)c1ccc(Cl)cc1 ZINC000738145456 598548998 /nfs/dbraw/zinc/54/89/98/598548998.db2.gz LYNUUWUPZMUTKN-UHFFFAOYSA-N -1 3 365.727 3.374 20 0 FGADHM CCO[C@@H](CC)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736615204 598552654 /nfs/dbraw/zinc/55/26/54/598552654.db2.gz JBKLCYBUMHVLMO-KRWDZBQOSA-N -1 3 367.409 3.413 20 0 FGADHM CCO[C@@H](CC)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736615204 598552655 /nfs/dbraw/zinc/55/26/55/598552655.db2.gz JBKLCYBUMHVLMO-KRWDZBQOSA-N -1 3 367.409 3.413 20 0 FGADHM CCCCCOC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000736450741 598557458 /nfs/dbraw/zinc/55/74/58/598557458.db2.gz CKKGVHJECZLHIX-UHFFFAOYSA-N -1 3 356.382 3.386 20 0 FGADHM O=C(Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)N1CCCC1 ZINC000738174392 598562388 /nfs/dbraw/zinc/56/23/88/598562388.db2.gz YUYPARRARUTCJI-UHFFFAOYSA-N -1 3 350.382 3.287 20 0 FGADHM O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)N1CCCC1 ZINC000738174392 598562389 /nfs/dbraw/zinc/56/23/89/598562389.db2.gz YUYPARRARUTCJI-UHFFFAOYSA-N -1 3 350.382 3.287 20 0 FGADHM CN(C(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000736733417 598569838 /nfs/dbraw/zinc/56/98/38/598569838.db2.gz UKKXQFHKCSHDHG-NEPJUHHUSA-N -1 3 373.338 3.051 20 0 FGADHM CN(C(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736733417 598569839 /nfs/dbraw/zinc/56/98/39/598569839.db2.gz UKKXQFHKCSHDHG-NEPJUHHUSA-N -1 3 373.338 3.051 20 0 FGADHM CC(C)c1ccc(C(=O)OCC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824348105 607358917 /nfs/dbraw/zinc/35/89/17/607358917.db2.gz ZOPKBYYJHHOFDJ-UHFFFAOYSA-N -1 3 350.378 3.030 20 0 FGADHM CC(C)c1ccc(C(=O)OCC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824348105 607358918 /nfs/dbraw/zinc/35/89/18/607358918.db2.gz ZOPKBYYJHHOFDJ-UHFFFAOYSA-N -1 3 350.378 3.030 20 0 FGADHM O=C(Nc1ccccc1-c1nnn[n-]1)c1cc(F)cc(Br)c1 ZINC000738191416 598573817 /nfs/dbraw/zinc/57/38/17/598573817.db2.gz JNBISHBBYCMINC-UHFFFAOYSA-N -1 3 362.162 3.021 20 0 FGADHM O=C(Nc1ccccc1-c1nn[n-]n1)c1cc(F)cc(Br)c1 ZINC000738191416 598573819 /nfs/dbraw/zinc/57/38/19/598573819.db2.gz JNBISHBBYCMINC-UHFFFAOYSA-N -1 3 362.162 3.021 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1cc(-c2ccccc2F)on1 ZINC000738167204 598585691 /nfs/dbraw/zinc/58/56/91/598585691.db2.gz OYHZDSWUGQNACA-UHFFFAOYSA-N -1 3 368.303 3.052 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1cc(-c2ccccc2F)on1 ZINC000738167204 598585693 /nfs/dbraw/zinc/58/56/93/598585693.db2.gz OYHZDSWUGQNACA-UHFFFAOYSA-N -1 3 368.303 3.052 20 0 FGADHM Cc1ccc2c(CC(=O)Nc3ccc(F)c(-c4nnn[n-]4)c3)coc2c1 ZINC000737371704 598590842 /nfs/dbraw/zinc/59/08/42/598590842.db2.gz JCYCVPFMOYCYPV-UHFFFAOYSA-N -1 3 351.341 3.242 20 0 FGADHM Cc1ccc2c(CC(=O)Nc3ccc(F)c(-c4nn[n-]n4)c3)coc2c1 ZINC000737371704 598590845 /nfs/dbraw/zinc/59/08/45/598590845.db2.gz JCYCVPFMOYCYPV-UHFFFAOYSA-N -1 3 351.341 3.242 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(OC(F)(F)F)cc1 ZINC000738168288 598592597 /nfs/dbraw/zinc/59/25/97/598592597.db2.gz YGUGYWYGXNWTBG-UHFFFAOYSA-N -1 3 367.262 3.157 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(OC(F)(F)F)cc1 ZINC000738168288 598592599 /nfs/dbraw/zinc/59/25/99/598592599.db2.gz YGUGYWYGXNWTBG-UHFFFAOYSA-N -1 3 367.262 3.157 20 0 FGADHM CCC[C@H](NC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1)C1CCCCC1 ZINC000736425182 598593305 /nfs/dbraw/zinc/59/33/05/598593305.db2.gz DTRPCNDHHZJRPO-KSSFIOAISA-N -1 3 371.485 3.499 20 0 FGADHM c1csc(Cc2noc(CSCc3ccc(-c4nnn[n-]4)cc3)n2)c1 ZINC000738451120 598609838 /nfs/dbraw/zinc/60/98/38/598609838.db2.gz CJSAERLILVHCSQ-UHFFFAOYSA-N -1 3 370.463 3.335 20 0 FGADHM c1csc(Cc2noc(CSCc3ccc(-c4nn[n-]n4)cc3)n2)c1 ZINC000738451120 598609840 /nfs/dbraw/zinc/60/98/40/598609840.db2.gz CJSAERLILVHCSQ-UHFFFAOYSA-N -1 3 370.463 3.335 20 0 FGADHM Clc1ccc(Cc2noc(COc3ccccc3-c3nnn[n-]3)n2)cc1 ZINC000737578113 598612722 /nfs/dbraw/zinc/61/27/22/598612722.db2.gz YFWJVOGKWAFQQW-UHFFFAOYSA-N -1 3 368.784 3.073 20 0 FGADHM Clc1ccc(Cc2noc(COc3ccccc3-c3nn[n-]n3)n2)cc1 ZINC000737578113 598612723 /nfs/dbraw/zinc/61/27/23/598612723.db2.gz YFWJVOGKWAFQQW-UHFFFAOYSA-N -1 3 368.784 3.073 20 0 FGADHM CCOc1ccccc1[C@H](C)NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736653994 598629213 /nfs/dbraw/zinc/62/92/13/598629213.db2.gz HHMXSMOFBRMFDK-NSHDSACASA-N -1 3 370.388 3.287 20 0 FGADHM CCOc1ccccc1[C@H](C)NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736653994 598629214 /nfs/dbraw/zinc/62/92/14/598629214.db2.gz HHMXSMOFBRMFDK-NSHDSACASA-N -1 3 370.388 3.287 20 0 FGADHM CN(Cc1ccccc1Br)c1ccc(F)cc1-c1nnn[n-]1 ZINC000736828808 598629581 /nfs/dbraw/zinc/62/95/81/598629581.db2.gz SSPOPEOGXDJLFS-UHFFFAOYSA-N -1 3 362.206 3.405 20 0 FGADHM CN(Cc1ccccc1Br)c1ccc(F)cc1-c1nn[n-]n1 ZINC000736828808 598629583 /nfs/dbraw/zinc/62/95/83/598629583.db2.gz SSPOPEOGXDJLFS-UHFFFAOYSA-N -1 3 362.206 3.405 20 0 FGADHM CCc1ccc(CN(C)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000736688750 598630386 /nfs/dbraw/zinc/63/03/86/598630386.db2.gz FHOCVBAQMLHXDM-UHFFFAOYSA-N -1 3 354.389 3.232 20 0 FGADHM CCc1ccc(CN(C)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000736688750 598630388 /nfs/dbraw/zinc/63/03/88/598630388.db2.gz FHOCVBAQMLHXDM-UHFFFAOYSA-N -1 3 354.389 3.232 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N1CCC[C@H]1Cc1ccccc1 ZINC000738163209 598631894 /nfs/dbraw/zinc/63/18/94/598631894.db2.gz PXMZRYFRQNGUQC-HNNXBMFYSA-N -1 3 366.400 3.245 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N1CCC[C@H]1Cc1ccccc1 ZINC000738163209 598631895 /nfs/dbraw/zinc/63/18/95/598631895.db2.gz PXMZRYFRQNGUQC-HNNXBMFYSA-N -1 3 366.400 3.245 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000738167190 598631924 /nfs/dbraw/zinc/63/19/24/598631924.db2.gz OCHUCPPJCZZZIJ-RKDXNWHRSA-N -1 3 372.326 3.248 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000738167190 598631925 /nfs/dbraw/zinc/63/19/25/598631925.db2.gz OCHUCPPJCZZZIJ-RKDXNWHRSA-N -1 3 372.326 3.248 20 0 FGADHM Clc1ccc(-c2nnn[n-]2)c(NCc2cnn(-c3ccccc3)c2)c1 ZINC000737570327 598632621 /nfs/dbraw/zinc/63/26/21/598632621.db2.gz FHALUTWUABUZPV-UHFFFAOYSA-N -1 3 351.801 3.318 20 0 FGADHM Clc1ccc(-c2nn[n-]n2)c(NCc2cnn(-c3ccccc3)c2)c1 ZINC000737570327 598632623 /nfs/dbraw/zinc/63/26/23/598632623.db2.gz FHALUTWUABUZPV-UHFFFAOYSA-N -1 3 351.801 3.318 20 0 FGADHM Clc1cccc(-c2nnn[n-]2)c1NCc1cccc(Cn2cccn2)c1 ZINC000737575217 598635426 /nfs/dbraw/zinc/63/54/26/598635426.db2.gz NPYBKNCMDODNOB-UHFFFAOYSA-N -1 3 365.828 3.377 20 0 FGADHM Clc1cccc(-c2nn[n-]n2)c1NCc1cccc(Cn2cccn2)c1 ZINC000737575217 598635428 /nfs/dbraw/zinc/63/54/28/598635428.db2.gz NPYBKNCMDODNOB-UHFFFAOYSA-N -1 3 365.828 3.377 20 0 FGADHM Fc1ccc(CSc2nnc(-c3ccccc3)o2)c(-c2nnn[n-]2)c1 ZINC000737647375 598643153 /nfs/dbraw/zinc/64/31/53/598643153.db2.gz CTZYLCOMHAUGDU-UHFFFAOYSA-N -1 3 354.370 3.348 20 0 FGADHM Fc1ccc(CSc2nnc(-c3ccccc3)o2)c(-c2nn[n-]n2)c1 ZINC000737647375 598643154 /nfs/dbraw/zinc/64/31/54/598643154.db2.gz CTZYLCOMHAUGDU-UHFFFAOYSA-N -1 3 354.370 3.348 20 0 FGADHM CN(C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)C1CCCCC1 ZINC000736733593 598643876 /nfs/dbraw/zinc/64/38/76/598643876.db2.gz WBGBDYHBPUPMCW-UHFFFAOYSA-N -1 3 357.458 3.207 20 0 FGADHM CN(C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)C1CCCCC1 ZINC000736733593 598643878 /nfs/dbraw/zinc/64/38/78/598643878.db2.gz WBGBDYHBPUPMCW-UHFFFAOYSA-N -1 3 357.458 3.207 20 0 FGADHM C[C@@H]1CCC[C@H](NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)[C@@H]1C ZINC000736251564 598648075 /nfs/dbraw/zinc/64/80/75/598648075.db2.gz JLVRJTZILRFPSD-RKVPGOIHSA-N -1 3 371.485 3.357 20 0 FGADHM C[C@@H]1CCC[C@H](NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)[C@@H]1C ZINC000736251564 598648077 /nfs/dbraw/zinc/64/80/77/598648077.db2.gz JLVRJTZILRFPSD-RKVPGOIHSA-N -1 3 371.485 3.357 20 0 FGADHM C[C@H](CSc1ccccc1)C(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736045893 598649925 /nfs/dbraw/zinc/64/99/25/598649925.db2.gz DDRMLMOMYHBXQA-CQSZACIVSA-N -1 3 367.478 3.254 20 0 FGADHM C[C@H](CSc1ccccc1)C(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736045893 598649926 /nfs/dbraw/zinc/64/99/26/598649926.db2.gz DDRMLMOMYHBXQA-CQSZACIVSA-N -1 3 367.478 3.254 20 0 FGADHM CN(C(=O)CSc1ccc(-c2nnn[n-]2)cc1)[C@H]1CCc2ccccc21 ZINC000736738622 598650410 /nfs/dbraw/zinc/65/04/10/598650410.db2.gz CPMQHXOWVPXVQJ-KRWDZBQOSA-N -1 3 365.462 3.105 20 0 FGADHM CN(C(=O)CSc1ccc(-c2nn[n-]n2)cc1)[C@H]1CCc2ccccc21 ZINC000736738622 598650412 /nfs/dbraw/zinc/65/04/12/598650412.db2.gz CPMQHXOWVPXVQJ-KRWDZBQOSA-N -1 3 365.462 3.105 20 0 FGADHM C[C@@H](C1CC1)N(C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000735963726 598650899 /nfs/dbraw/zinc/65/08/99/598650899.db2.gz KXDHOJJRPWRODL-AWEZNQCLSA-N -1 3 369.469 3.205 20 0 FGADHM C[C@@H](C1CC1)N(C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000735963726 598650901 /nfs/dbraw/zinc/65/09/01/598650901.db2.gz KXDHOJJRPWRODL-AWEZNQCLSA-N -1 3 369.469 3.205 20 0 FGADHM CC(C)CN(C)C(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735827026 598653151 /nfs/dbraw/zinc/65/31/51/598653151.db2.gz ASPIHXIMNQNXGZ-UHFFFAOYSA-N -1 3 351.410 3.387 20 0 FGADHM CC(C)CN(C)C(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735827026 598653153 /nfs/dbraw/zinc/65/31/53/598653153.db2.gz ASPIHXIMNQNXGZ-UHFFFAOYSA-N -1 3 351.410 3.387 20 0 FGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N1CCC[C@@H]1C1CCCC1 ZINC000737943080 598656364 /nfs/dbraw/zinc/65/63/64/598656364.db2.gz PJCNWSYXMSFVIH-MRXNPFEDSA-N -1 3 357.483 3.140 20 0 FGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N1CCC[C@@H]1C1CCCC1 ZINC000737943080 598656366 /nfs/dbraw/zinc/65/63/66/598656366.db2.gz PJCNWSYXMSFVIH-MRXNPFEDSA-N -1 3 357.483 3.140 20 0 FGADHM C[C@@H](CSc1ccccc1)C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000736046037 598657477 /nfs/dbraw/zinc/65/74/77/598657477.db2.gz DXSIEGXLAGQBOY-LBPRGKRZSA-N -1 3 371.441 3.397 20 0 FGADHM C[C@@H](CSc1ccccc1)C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000736046037 598657479 /nfs/dbraw/zinc/65/74/79/598657479.db2.gz DXSIEGXLAGQBOY-LBPRGKRZSA-N -1 3 371.441 3.397 20 0 FGADHM CSc1cccc(N(C)C(=O)CSc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737191536 598658513 /nfs/dbraw/zinc/65/85/13/598658513.db2.gz OGYHCOJASNIBQL-UHFFFAOYSA-N -1 3 371.491 3.344 20 0 FGADHM CSc1cccc(N(C)C(=O)CSc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737191536 598658515 /nfs/dbraw/zinc/65/85/15/598658515.db2.gz OGYHCOJASNIBQL-UHFFFAOYSA-N -1 3 371.491 3.344 20 0 FGADHM CC[C@@H](C)Oc1ccccc1C=CC(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000736326936 598661355 /nfs/dbraw/zinc/66/13/55/598661355.db2.gz JPCPMIBUICTRBT-PRWOLLLXSA-N -1 3 364.409 3.091 20 0 FGADHM CC[C@@H](C)Oc1ccccc1C=CC(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000736326936 598661357 /nfs/dbraw/zinc/66/13/57/598661357.db2.gz JPCPMIBUICTRBT-PRWOLLLXSA-N -1 3 364.409 3.091 20 0 FGADHM CC(C)[C@H]1CCCC[C@H]1NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000735752096 598661396 /nfs/dbraw/zinc/66/13/96/598661396.db2.gz XNXPUFOIMQWQDJ-HZPDHXFCSA-N -1 3 359.499 3.290 20 0 FGADHM CC(C)[C@H]1CCCC[C@H]1NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000735752096 598661398 /nfs/dbraw/zinc/66/13/98/598661398.db2.gz XNXPUFOIMQWQDJ-HZPDHXFCSA-N -1 3 359.499 3.290 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cn1)[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC000738152320 598663241 /nfs/dbraw/zinc/66/32/41/598663241.db2.gz USZPWIPIIFAKSZ-DLBZAZTESA-N -1 3 356.389 3.157 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cn1)[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC000738152320 598663243 /nfs/dbraw/zinc/66/32/43/598663243.db2.gz USZPWIPIIFAKSZ-DLBZAZTESA-N -1 3 356.389 3.157 20 0 FGADHM CC(C)(C)CN(CC(F)(F)F)C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000735601927 598664513 /nfs/dbraw/zinc/66/45/13/598664513.db2.gz GLEHSPFPTPUBMP-UHFFFAOYSA-N -1 3 369.391 3.236 20 0 FGADHM CC(C)(C)CN(CC(F)(F)F)C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000735601927 598664515 /nfs/dbraw/zinc/66/45/15/598664515.db2.gz GLEHSPFPTPUBMP-UHFFFAOYSA-N -1 3 369.391 3.236 20 0 FGADHM Fc1cccc([C@@H]2CN(c3ccc(-c4nnn[n-]4)c(Cl)c3)CCO2)c1 ZINC000737668613 598671313 /nfs/dbraw/zinc/67/13/13/598671313.db2.gz WDQCBCUDRBOFEI-INIZCTEOSA-N -1 3 359.792 3.237 20 0 FGADHM Fc1cccc([C@@H]2CN(c3ccc(-c4nn[n-]n4)c(Cl)c3)CCO2)c1 ZINC000737668613 598671315 /nfs/dbraw/zinc/67/13/15/598671315.db2.gz WDQCBCUDRBOFEI-INIZCTEOSA-N -1 3 359.792 3.237 20 0 FGADHM O[C@]1(CNc2ccc(-c3nnn[n-]3)c(Cl)c2)CCCc2ccccc21 ZINC000738387529 598674217 /nfs/dbraw/zinc/67/42/17/598674217.db2.gz AOWXXWZHRBZFRT-SFHVURJKSA-N -1 3 355.829 3.156 20 0 FGADHM O[C@]1(CNc2ccc(-c3nn[n-]n3)c(Cl)c2)CCCc2ccccc21 ZINC000738387529 598674219 /nfs/dbraw/zinc/67/42/19/598674219.db2.gz AOWXXWZHRBZFRT-SFHVURJKSA-N -1 3 355.829 3.156 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)c1nc(Cl)ccc1Cl ZINC000738234884 598702222 /nfs/dbraw/zinc/70/22/22/598702222.db2.gz GAXUQAXPFANMEP-UHFFFAOYSA-N -1 3 368.155 3.065 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)c1nc(Cl)ccc1Cl ZINC000738234884 598702223 /nfs/dbraw/zinc/70/22/23/598702223.db2.gz GAXUQAXPFANMEP-UHFFFAOYSA-N -1 3 368.155 3.065 20 0 FGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N(C1CC1)C1CCCC1 ZINC000735662073 598713576 /nfs/dbraw/zinc/71/35/76/598713576.db2.gz ZRKXFWOJYMMGBF-UHFFFAOYSA-N -1 3 357.462 3.362 20 0 FGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N(C1CC1)C1CCCC1 ZINC000735662073 598713577 /nfs/dbraw/zinc/71/35/77/598713577.db2.gz ZRKXFWOJYMMGBF-UHFFFAOYSA-N -1 3 357.462 3.362 20 0 FGADHM Clc1ccccc1OCCn1ccc(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000737583424 598722911 /nfs/dbraw/zinc/72/29/11/598722911.db2.gz KQHHXUGVUMKLAF-UHFFFAOYSA-N -1 3 366.812 3.463 20 0 FGADHM Clc1ccccc1OCCn1ccc(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737583424 598722913 /nfs/dbraw/zinc/72/29/13/598722913.db2.gz KQHHXUGVUMKLAF-UHFFFAOYSA-N -1 3 366.812 3.463 20 0 FGADHM COCCCCOC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736982013 598727601 /nfs/dbraw/zinc/72/76/01/598727601.db2.gz PVNYZKFMFOGXFJ-UHFFFAOYSA-N -1 3 368.393 3.242 20 0 FGADHM COCCCCOC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736982013 598727603 /nfs/dbraw/zinc/72/76/03/598727603.db2.gz PVNYZKFMFOGXFJ-UHFFFAOYSA-N -1 3 368.393 3.242 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)CCc1ccccc1C ZINC000736627049 598734479 /nfs/dbraw/zinc/73/44/79/598734479.db2.gz IDBQIXBZSZGDPQ-UHFFFAOYSA-N -1 3 352.394 3.112 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)CCc1ccccc1C ZINC000736627049 598734480 /nfs/dbraw/zinc/73/44/80/598734480.db2.gz IDBQIXBZSZGDPQ-UHFFFAOYSA-N -1 3 352.394 3.112 20 0 FGADHM C[C@@H](NC(=O)c1cnc(-c2ccco2)s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736123807 598735763 /nfs/dbraw/zinc/73/57/63/598735763.db2.gz DPBUHFZGYAIRBM-SNVBAGLBSA-N -1 3 366.406 3.074 20 0 FGADHM C[C@@H](NC(=O)c1cnc(-c2ccco2)s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736123807 598735765 /nfs/dbraw/zinc/73/57/65/598735765.db2.gz DPBUHFZGYAIRBM-SNVBAGLBSA-N -1 3 366.406 3.074 20 0 FGADHM O=C(COc1ccccc1-c1nnn[n-]1)O[C@@H]1CCc2c1cccc2Cl ZINC000737929841 598740633 /nfs/dbraw/zinc/74/06/33/598740633.db2.gz JBPGGOVTADBKSE-MRXNPFEDSA-N -1 3 370.796 3.130 20 0 FGADHM O=C(COc1ccccc1-c1nn[n-]n1)O[C@@H]1CCc2c1cccc2Cl ZINC000737929841 598740634 /nfs/dbraw/zinc/74/06/34/598740634.db2.gz JBPGGOVTADBKSE-MRXNPFEDSA-N -1 3 370.796 3.130 20 0 FGADHM CN(C(=O)C[C@@H]1CCc2ccccc2C1)c1ccc(-c2nnn[n-]2)cc1F ZINC000736731979 598741915 /nfs/dbraw/zinc/74/19/15/598741915.db2.gz IGUWCVZFBJDLMP-CYBMUJFWSA-N -1 3 365.412 3.164 20 0 FGADHM CN(C(=O)C[C@@H]1CCc2ccccc2C1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736731979 598741916 /nfs/dbraw/zinc/74/19/16/598741916.db2.gz IGUWCVZFBJDLMP-CYBMUJFWSA-N -1 3 365.412 3.164 20 0 FGADHM Cc1ncc(C=CC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)s1 ZINC000737489933 598763577 /nfs/dbraw/zinc/76/35/77/598763577.db2.gz ODWKZJFRBLCIMA-CMDGGOBGSA-N -1 3 368.466 3.082 20 0 FGADHM Cc1ncc(C=CC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)s1 ZINC000737489933 598763579 /nfs/dbraw/zinc/76/35/79/598763579.db2.gz ODWKZJFRBLCIMA-CMDGGOBGSA-N -1 3 368.466 3.082 20 0 FGADHM Cc1ccccc1[C@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)C1CC1 ZINC000737420684 598764976 /nfs/dbraw/zinc/76/49/76/598764976.db2.gz IYLXVKLXESHIDK-DRUFCSCSSA-N -1 3 359.433 3.456 20 0 FGADHM Cc1ccccc1[C@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)C1CC1 ZINC000737420684 598764978 /nfs/dbraw/zinc/76/49/78/598764978.db2.gz IYLXVKLXESHIDK-DRUFCSCSSA-N -1 3 359.433 3.456 20 0 FGADHM COc1ccc(NCc2cccc(-c3nnn[n-]3)c2)cc1Br ZINC000737107018 598776837 /nfs/dbraw/zinc/77/68/37/598776837.db2.gz YJZSRGQIAPDTHB-UHFFFAOYSA-N -1 3 360.215 3.250 20 0 FGADHM COc1ccc(NCc2cccc(-c3nn[n-]n3)c2)cc1Br ZINC000737107018 598776839 /nfs/dbraw/zinc/77/68/39/598776839.db2.gz YJZSRGQIAPDTHB-UHFFFAOYSA-N -1 3 360.215 3.250 20 0 FGADHM CCN(C)C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000736510073 598788668 /nfs/dbraw/zinc/78/86/68/598788668.db2.gz QIWAPOKTKOGDGT-UHFFFAOYSA-N -1 3 370.388 3.068 20 0 FGADHM CCN(C)C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000736510073 598788669 /nfs/dbraw/zinc/78/86/69/598788669.db2.gz QIWAPOKTKOGDGT-UHFFFAOYSA-N -1 3 370.388 3.068 20 0 FGADHM O[C@@H](c1ccccc1)C1CCN(c2ccc(Cl)cc2-c2nnn[n-]2)CC1 ZINC000738383347 598792562 /nfs/dbraw/zinc/79/25/62/598792562.db2.gz AYHZSLPOLIDEAY-SFHVURJKSA-N -1 3 369.856 3.470 20 0 FGADHM O[C@@H](c1ccccc1)C1CCN(c2ccc(Cl)cc2-c2nn[n-]n2)CC1 ZINC000738383347 598792564 /nfs/dbraw/zinc/79/25/64/598792564.db2.gz AYHZSLPOLIDEAY-SFHVURJKSA-N -1 3 369.856 3.470 20 0 FGADHM O=C(c1ccc(-c2nnn[n-]2)cc1)N1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000738255394 598794229 /nfs/dbraw/zinc/79/42/29/598794229.db2.gz RYAXNLOGSVFUQE-MRXNPFEDSA-N -1 3 355.348 3.122 20 0 FGADHM O=C(c1ccc(-c2nn[n-]n2)cc1)N1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000738255394 598794231 /nfs/dbraw/zinc/79/42/31/598794231.db2.gz RYAXNLOGSVFUQE-MRXNPFEDSA-N -1 3 355.348 3.122 20 0 FGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)CCCc1ccccn1 ZINC000735903028 598803715 /nfs/dbraw/zinc/80/37/15/598803715.db2.gz CNIPQRASDWVMJT-UHFFFAOYSA-N -1 3 366.425 3.010 20 0 FGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)CCCc1ccccn1 ZINC000735903028 598803716 /nfs/dbraw/zinc/80/37/16/598803716.db2.gz CNIPQRASDWVMJT-UHFFFAOYSA-N -1 3 366.425 3.010 20 0 FGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cnc(C2CC2)s1 ZINC000735873579 598818134 /nfs/dbraw/zinc/81/81/34/598818134.db2.gz HDVJJIPNCYECPH-UHFFFAOYSA-N -1 3 368.466 3.251 20 0 FGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cnc(C2CC2)s1 ZINC000735873579 598818136 /nfs/dbraw/zinc/81/81/36/598818136.db2.gz HDVJJIPNCYECPH-UHFFFAOYSA-N -1 3 368.466 3.251 20 0 FGADHM FC(F)(F)c1cccc(N2CCN(c3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000737635449 599303419 /nfs/dbraw/zinc/30/34/19/599303419.db2.gz GJHWNNABPWXQDW-UHFFFAOYSA-N -1 3 374.370 3.212 20 0 FGADHM CC(C)(C)[C@H]1OCCC[C@H]1CNc1c(F)cc(-c2nnn[n-]2)cc1F ZINC000735597952 599304503 /nfs/dbraw/zinc/30/45/03/599304503.db2.gz URVKSPABWXAVQH-BONVTDFDSA-N -1 3 351.401 3.398 20 0 FGADHM CC(C)(C)[C@H]1OCCC[C@H]1CNc1c(F)cc(-c2nn[n-]n2)cc1F ZINC000735597952 599304506 /nfs/dbraw/zinc/30/45/06/599304506.db2.gz URVKSPABWXAVQH-BONVTDFDSA-N -1 3 351.401 3.398 20 0 FGADHM CCN(C(=O)CCOc1cc(C)cc(C)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736505347 599309297 /nfs/dbraw/zinc/30/92/97/599309297.db2.gz MEAZLYBWYSOHTJ-UHFFFAOYSA-N -1 3 365.437 3.306 20 0 FGADHM CCN(C(=O)CCOc1cc(C)cc(C)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736505347 599309300 /nfs/dbraw/zinc/30/93/00/599309300.db2.gz MEAZLYBWYSOHTJ-UHFFFAOYSA-N -1 3 365.437 3.306 20 0 FGADHM COc1cccc(-c2noc([C@H](C)Oc3ccccc3-c3nnn[n-]3)n2)c1 ZINC000821854547 599309459 /nfs/dbraw/zinc/30/94/59/599309459.db2.gz MQBJASVHDJRJLY-NSHDSACASA-N -1 3 364.365 3.065 20 0 FGADHM COc1cccc(-c2noc([C@H](C)Oc3ccccc3-c3nn[n-]n3)n2)c1 ZINC000821854547 599309463 /nfs/dbraw/zinc/30/94/63/599309463.db2.gz MQBJASVHDJRJLY-NSHDSACASA-N -1 3 364.365 3.065 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1CSCc1nc2ccccc2[nH]1 ZINC000821752550 607368054 /nfs/dbraw/zinc/36/80/54/607368054.db2.gz OBROWMYQQFQSON-UHFFFAOYSA-N -1 3 352.423 3.185 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1CSCc1nc2ccccc2[nH]1 ZINC000821752550 607368056 /nfs/dbraw/zinc/36/80/56/607368056.db2.gz OBROWMYQQFQSON-UHFFFAOYSA-N -1 3 352.423 3.185 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H]1C[C@]12CCCc1ccccc12 ZINC000822216007 599319021 /nfs/dbraw/zinc/31/90/21/599319021.db2.gz BOASVCDBNZBYKH-UTKZUKDTSA-N -1 3 359.433 3.408 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H]1C[C@]12CCCc1ccccc12 ZINC000822216007 599319024 /nfs/dbraw/zinc/31/90/24/599319024.db2.gz BOASVCDBNZBYKH-UTKZUKDTSA-N -1 3 359.433 3.408 20 0 FGADHM O=C(Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)[C@H]1CCCS1 ZINC000823350326 599323825 /nfs/dbraw/zinc/32/38/25/599323825.db2.gz JFGCKEUTHSQESK-MRXNPFEDSA-N -1 3 367.434 3.493 20 0 FGADHM O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)[C@H]1CCCS1 ZINC000823350326 599323829 /nfs/dbraw/zinc/32/38/29/599323829.db2.gz JFGCKEUTHSQESK-MRXNPFEDSA-N -1 3 367.434 3.493 20 0 FGADHM C[C@H](SCC(=O)Nc1cccc(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736190468 599330036 /nfs/dbraw/zinc/33/00/36/599330036.db2.gz SHVMIYDHXVHSST-NSHDSACASA-N -1 3 357.414 3.439 20 0 FGADHM C[C@H](SCC(=O)Nc1cccc(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736190468 599330040 /nfs/dbraw/zinc/33/00/40/599330040.db2.gz SHVMIYDHXVHSST-NSHDSACASA-N -1 3 357.414 3.439 20 0 FGADHM O=c1[nH]c2ccccc2n1CCCSc1ccccc1-c1nnn[n-]1 ZINC000823657862 599348651 /nfs/dbraw/zinc/34/86/51/599348651.db2.gz WDFMONDSLDFWPA-UHFFFAOYSA-N -1 3 352.423 3.104 20 0 FGADHM O=c1[nH]c2ccccc2n1CCCSc1ccccc1-c1nn[n-]n1 ZINC000823657862 599348654 /nfs/dbraw/zinc/34/86/54/599348654.db2.gz WDFMONDSLDFWPA-UHFFFAOYSA-N -1 3 352.423 3.104 20 0 FGADHM C[C@H](Nc1cnn(C(C)(C)C)c(=O)c1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000820462129 599355175 /nfs/dbraw/zinc/35/51/75/599355175.db2.gz VJCNAFFKPAPFEC-JTQLQIEISA-N -1 3 373.848 3.005 20 0 FGADHM C[C@H](Nc1cnn(C(C)(C)C)c(=O)c1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000820462129 599355176 /nfs/dbraw/zinc/35/51/76/599355176.db2.gz VJCNAFFKPAPFEC-JTQLQIEISA-N -1 3 373.848 3.005 20 0 FGADHM COc1ccc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1NC(C)=O ZINC000821835699 599365790 /nfs/dbraw/zinc/36/57/90/599365790.db2.gz PTNSKVYDNFNETI-LLVKDONJSA-N -1 3 352.398 3.007 20 0 FGADHM COc1ccc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1NC(C)=O ZINC000821835699 599365792 /nfs/dbraw/zinc/36/57/92/599365792.db2.gz PTNSKVYDNFNETI-LLVKDONJSA-N -1 3 352.398 3.007 20 0 FGADHM C[C@@H]1CC[C@H](OC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)[C@@H](C)C1 ZINC000736243950 599375551 /nfs/dbraw/zinc/37/55/51/599375551.db2.gz BKNGHCFWYLLBSX-WWGRRREGSA-N -1 3 360.483 3.468 20 0 FGADHM C[C@@H]1CC[C@H](OC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)[C@@H](C)C1 ZINC000736243950 599375554 /nfs/dbraw/zinc/37/55/54/599375554.db2.gz BKNGHCFWYLLBSX-WWGRRREGSA-N -1 3 360.483 3.468 20 0 FGADHM O=C1[C@@H](Oc2ccc(-c3nn[n-]n3)cc2)CCCN1c1ccccc1Cl ZINC000823512320 599380822 /nfs/dbraw/zinc/38/08/22/599380822.db2.gz NBMRSQLFDYXICZ-INIZCTEOSA-N -1 3 369.812 3.095 20 0 FGADHM O=C(Nc1ccsc1)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000738197585 599388324 /nfs/dbraw/zinc/38/83/24/599388324.db2.gz KAPBMBSDERZKFH-UHFFFAOYSA-N -1 3 367.390 3.353 20 0 FGADHM FC(F)(F)COc1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000822718901 599389782 /nfs/dbraw/zinc/38/97/82/599389782.db2.gz UCFMTGZGOGVQJW-UHFFFAOYSA-N -1 3 350.300 3.387 20 0 FGADHM FC(F)(F)COc1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000822718901 599389783 /nfs/dbraw/zinc/38/97/83/599389783.db2.gz UCFMTGZGOGVQJW-UHFFFAOYSA-N -1 3 350.300 3.387 20 0 FGADHM Cc1ccc(N2CCOC2=O)cc1N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000822242659 599392434 /nfs/dbraw/zinc/39/24/34/599392434.db2.gz SPMLEAHYZKWNGL-CYBMUJFWSA-N -1 3 364.409 3.305 20 0 FGADHM Cc1ccc(N2CCOC2=O)cc1N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000822242659 599392440 /nfs/dbraw/zinc/39/24/40/599392440.db2.gz SPMLEAHYZKWNGL-CYBMUJFWSA-N -1 3 364.409 3.305 20 0 FGADHM C[C@@H](NC(=O)N[C@@H](c1ccccc1)C1CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820360365 599401084 /nfs/dbraw/zinc/40/10/84/599401084.db2.gz YGQHUOUUCNVXLX-ACJLOTCBSA-N -1 3 362.437 3.378 20 0 FGADHM C[C@@H](NC(=O)N[C@@H](c1ccccc1)C1CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820360365 599401086 /nfs/dbraw/zinc/40/10/86/599401086.db2.gz YGQHUOUUCNVXLX-ACJLOTCBSA-N -1 3 362.437 3.378 20 0 FGADHM Cc1ccnc(Nc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)n1 ZINC000737438122 599410855 /nfs/dbraw/zinc/41/08/55/599410855.db2.gz YQBTVGSYTTZKDT-UHFFFAOYSA-N -1 3 359.393 3.288 20 0 FGADHM Cc1ccnc(Nc2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)n1 ZINC000737438122 599410860 /nfs/dbraw/zinc/41/08/60/599410860.db2.gz YQBTVGSYTTZKDT-UHFFFAOYSA-N -1 3 359.393 3.288 20 0 FGADHM Cc1ccc([C@@H](C)NC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822229041 599412219 /nfs/dbraw/zinc/41/22/19/599412219.db2.gz KWITXYMUAPLALZ-ZIAGYGMSSA-N -1 3 350.426 3.297 20 0 FGADHM Cc1ccc([C@@H](C)NC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822229041 599412221 /nfs/dbraw/zinc/41/22/21/599412221.db2.gz KWITXYMUAPLALZ-ZIAGYGMSSA-N -1 3 350.426 3.297 20 0 FGADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)N1CC[C@H]1c1ccc(Cl)cc1 ZINC000823257414 599416292 /nfs/dbraw/zinc/41/62/92/599416292.db2.gz MAKDWVWCQQUDRP-INIZCTEOSA-N -1 3 368.828 3.177 20 0 FGADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)N1CC[C@H]1c1ccc(Cl)cc1 ZINC000823257414 599416294 /nfs/dbraw/zinc/41/62/94/599416294.db2.gz MAKDWVWCQQUDRP-INIZCTEOSA-N -1 3 368.828 3.177 20 0 FGADHM C[C@@H](NC(=O)N[C@@H](C)c1cc(F)ccc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000820351448 599416543 /nfs/dbraw/zinc/41/65/43/599416543.db2.gz PEPNRRVWYWANQI-MNOVXSKESA-N -1 3 372.379 3.266 20 0 FGADHM C[C@@H](NC(=O)N[C@@H](C)c1cc(F)ccc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000820351448 599416548 /nfs/dbraw/zinc/41/65/48/599416548.db2.gz PEPNRRVWYWANQI-MNOVXSKESA-N -1 3 372.379 3.266 20 0 FGADHM COc1ccc(CCCN(C)c2cc(-c3nnn[n-]3)c3ccccc3n2)cc1 ZINC000737089683 599416941 /nfs/dbraw/zinc/41/69/41/599416941.db2.gz UURVJOVDRNYLPD-UHFFFAOYSA-N -1 3 374.448 3.493 20 0 FGADHM COc1ccc(CCCN(C)c2cc(-c3nn[n-]n3)c3ccccc3n2)cc1 ZINC000737089683 599416943 /nfs/dbraw/zinc/41/69/43/599416943.db2.gz UURVJOVDRNYLPD-UHFFFAOYSA-N -1 3 374.448 3.493 20 0 FGADHM CCSc1nnc(SCc2cc(-c3nn[n-]n3)ccc2OC)s1 ZINC000821460945 607376141 /nfs/dbraw/zinc/37/61/41/607376141.db2.gz HFAPREBRLAQSOK-UHFFFAOYSA-N -1 3 366.497 3.131 20 0 FGADHM CCC[C@H](NC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccn1 ZINC000821023007 599436217 /nfs/dbraw/zinc/43/62/17/599436217.db2.gz VEBSJSIRRCWMNJ-DYVFJYSZSA-N -1 3 365.441 3.163 20 0 FGADHM CCC[C@H](NC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccn1 ZINC000821023007 599436220 /nfs/dbraw/zinc/43/62/20/599436220.db2.gz VEBSJSIRRCWMNJ-DYVFJYSZSA-N -1 3 365.441 3.163 20 0 FGADHM CC(C)(C)c1ccc(C(=O)OCC(=O)c2cccc(-c3nnn[n-]3)c2)s1 ZINC000824136414 607378532 /nfs/dbraw/zinc/37/85/32/607378532.db2.gz QAOYSPRWWJMIRJ-UHFFFAOYSA-N -1 3 370.434 3.265 20 0 FGADHM CC(C)(C)c1ccc(C(=O)OCC(=O)c2cccc(-c3nn[n-]n3)c2)s1 ZINC000824136414 607378534 /nfs/dbraw/zinc/37/85/34/607378534.db2.gz QAOYSPRWWJMIRJ-UHFFFAOYSA-N -1 3 370.434 3.265 20 0 FGADHM Cc1ccc(C[C@H](NCc2ccc(-c3nnn[n-]3)o2)c2ccccn2)cc1 ZINC000822235006 599440497 /nfs/dbraw/zinc/44/04/97/599440497.db2.gz OKWFTOWVZMZRHO-SFHVURJKSA-N -1 3 360.421 3.237 20 0 FGADHM Cc1ccc(C[C@H](NCc2ccc(-c3nn[n-]n3)o2)c2ccccn2)cc1 ZINC000822235006 599440501 /nfs/dbraw/zinc/44/05/01/599440501.db2.gz OKWFTOWVZMZRHO-SFHVURJKSA-N -1 3 360.421 3.237 20 0 FGADHM COc1ccc(CN[C@@H](C)c2csc(C(C)C)n2)cc1-c1nnn[n-]1 ZINC000821803568 599444652 /nfs/dbraw/zinc/44/46/52/599444652.db2.gz GDAIIKDZXBYNEI-NSHDSACASA-N -1 3 358.471 3.306 20 0 FGADHM COc1ccc(CN[C@@H](C)c2csc(C(C)C)n2)cc1-c1nn[n-]n1 ZINC000821803568 599444653 /nfs/dbraw/zinc/44/46/53/599444653.db2.gz GDAIIKDZXBYNEI-NSHDSACASA-N -1 3 358.471 3.306 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cccc(Oc2cnccn2)c1 ZINC000737294903 599465899 /nfs/dbraw/zinc/46/58/99/599465899.db2.gz SLEPVYIBKGLZAV-UHFFFAOYSA-N -1 3 373.376 3.010 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cccc(Oc2cnccn2)c1 ZINC000737294903 599465900 /nfs/dbraw/zinc/46/59/00/599465900.db2.gz SLEPVYIBKGLZAV-UHFFFAOYSA-N -1 3 373.376 3.010 20 0 FGADHM C[C@H]1C[C@@H](c2ccc(F)cc2)CN1c1nc2c(cc1-c1nnn[n-]1)CCC2 ZINC000736233657 599472136 /nfs/dbraw/zinc/47/21/36/599472136.db2.gz GCUZPLOCULUVOV-SWLSCSKDSA-N -1 3 364.428 3.272 20 0 FGADHM C[C@H]1C[C@@H](c2ccc(F)cc2)CN1c1nc2c(cc1-c1nn[n-]n1)CCC2 ZINC000736233657 599472138 /nfs/dbraw/zinc/47/21/38/599472138.db2.gz GCUZPLOCULUVOV-SWLSCSKDSA-N -1 3 364.428 3.272 20 0 FGADHM C[C@H](Nc1ccc(F)cc1-c1nnn[n-]1)c1ccc2c(c1)CCC(=O)N2 ZINC000820457184 599479557 /nfs/dbraw/zinc/47/95/57/599479557.db2.gz YQNPLZHBLMBAKX-JTQLQIEISA-N -1 3 352.373 3.064 20 0 FGADHM C[C@H](Nc1ccc(F)cc1-c1nn[n-]n1)c1ccc2c(c1)CCC(=O)N2 ZINC000820457184 599479560 /nfs/dbraw/zinc/47/95/60/599479560.db2.gz YQNPLZHBLMBAKX-JTQLQIEISA-N -1 3 352.373 3.064 20 0 FGADHM C[C@H](NC(=O)N1CC[C@@H]1c1cccc(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820342054 599483296 /nfs/dbraw/zinc/48/32/96/599483296.db2.gz SOBMLECFFVZHBG-YVEFUNNKSA-N -1 3 366.400 3.223 20 0 FGADHM C[C@H](NC(=O)N1CC[C@@H]1c1cccc(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820342054 599483297 /nfs/dbraw/zinc/48/32/97/599483297.db2.gz SOBMLECFFVZHBG-YVEFUNNKSA-N -1 3 366.400 3.223 20 0 FGADHM C[C@@H](NC(=O)N[C@@H]1CSc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820359963 599483509 /nfs/dbraw/zinc/48/35/09/599483509.db2.gz VYKQFMBYAGFEQN-IAQYHMDHSA-N -1 3 366.450 3.074 20 0 FGADHM C[C@@H](NC(=O)N[C@@H]1CSc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820359963 599483511 /nfs/dbraw/zinc/48/35/11/599483511.db2.gz VYKQFMBYAGFEQN-IAQYHMDHSA-N -1 3 366.450 3.074 20 0 FGADHM Fc1ccc(N2CCO[C@@H](c3ccc(Cl)cc3)C2)c(-c2nnn[n-]2)c1 ZINC000822778038 599488754 /nfs/dbraw/zinc/48/87/54/599488754.db2.gz BAUIHQTWZOLSSV-MRXNPFEDSA-N -1 3 359.792 3.237 20 0 FGADHM Fc1ccc(N2CCO[C@@H](c3ccc(Cl)cc3)C2)c(-c2nn[n-]n2)c1 ZINC000822778038 599488755 /nfs/dbraw/zinc/48/87/55/599488755.db2.gz BAUIHQTWZOLSSV-MRXNPFEDSA-N -1 3 359.792 3.237 20 0 FGADHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2N[C@H](C)Cc1ccsc1 ZINC000822204095 599490965 /nfs/dbraw/zinc/49/09/65/599490965.db2.gz DCRUBTOWOFOVHP-LLVKDONJSA-N -1 3 368.441 3.389 20 0 FGADHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2N[C@H](C)Cc1ccsc1 ZINC000822204095 599490968 /nfs/dbraw/zinc/49/09/68/599490968.db2.gz DCRUBTOWOFOVHP-LLVKDONJSA-N -1 3 368.441 3.389 20 0 FGADHM CN(Cc1cscn1)c1c(-c2nnn[n-]2)cnc2ccc(Cl)cc21 ZINC000821616788 599495576 /nfs/dbraw/zinc/49/55/76/599495576.db2.gz HJPWEBUZUOMSER-UHFFFAOYSA-N -1 3 357.830 3.161 20 0 FGADHM CN(Cc1cscn1)c1c(-c2nn[n-]n2)cnc2ccc(Cl)cc21 ZINC000821616788 599495579 /nfs/dbraw/zinc/49/55/79/599495579.db2.gz HJPWEBUZUOMSER-UHFFFAOYSA-N -1 3 357.830 3.161 20 0 FGADHM C[C@@H](NC(=O)c1ccccc1OC1CCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820396946 599501986 /nfs/dbraw/zinc/50/19/86/599501986.db2.gz JXOVVTZLPLBWSK-CYBMUJFWSA-N -1 3 363.421 3.289 20 0 FGADHM C[C@@H](NC(=O)c1ccccc1OC1CCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820396946 599501988 /nfs/dbraw/zinc/50/19/88/599501988.db2.gz JXOVVTZLPLBWSK-CYBMUJFWSA-N -1 3 363.421 3.289 20 0 FGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)N1CCCCC[C@H]1c1ccco1 ZINC000738101213 599505127 /nfs/dbraw/zinc/50/51/27/599505127.db2.gz HJHRLXPCPFDZFE-INIZCTEOSA-N -1 3 366.425 3.287 20 0 FGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)N1CCCCC[C@H]1c1ccco1 ZINC000738101213 599505130 /nfs/dbraw/zinc/50/51/30/599505130.db2.gz HJHRLXPCPFDZFE-INIZCTEOSA-N -1 3 366.425 3.287 20 0 FGADHM C[C@H](NC(=O)C[C@H]1CCOc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820323834 599506376 /nfs/dbraw/zinc/50/63/76/599506376.db2.gz ZKVUISRCQITKKW-DZGCQCFKSA-N -1 3 363.421 3.000 20 0 FGADHM C[C@H](NC(=O)C[C@H]1CCOc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820323834 599506380 /nfs/dbraw/zinc/50/63/80/599506380.db2.gz ZKVUISRCQITKKW-DZGCQCFKSA-N -1 3 363.421 3.000 20 0 FGADHM c1ccc(COCCCCNc2c(-c3nnn[n-]3)cnc3ccccc32)cc1 ZINC000823787434 599507697 /nfs/dbraw/zinc/50/76/97/599507697.db2.gz MVJPIRHYKHWWCY-UHFFFAOYSA-N -1 3 374.448 3.246 20 0 FGADHM c1ccc(COCCCCNc2c(-c3nn[n-]n3)cnc3ccccc32)cc1 ZINC000823787434 599507699 /nfs/dbraw/zinc/50/76/99/599507699.db2.gz MVJPIRHYKHWWCY-UHFFFAOYSA-N -1 3 374.448 3.246 20 0 FGADHM CC(C)c1nc([C@H]2CCCN(c3ccc(-c4nnn[n-]4)c(Cl)c3)C2)no1 ZINC000820203608 599508563 /nfs/dbraw/zinc/50/85/63/599508563.db2.gz WEPYYKVPJIIUCN-NSHDSACASA-N -1 3 373.848 3.411 20 0 FGADHM CC(C)c1nc([C@H]2CCCN(c3ccc(-c4nn[n-]n4)c(Cl)c3)C2)no1 ZINC000820203608 599508565 /nfs/dbraw/zinc/50/85/65/599508565.db2.gz WEPYYKVPJIIUCN-NSHDSACASA-N -1 3 373.848 3.411 20 0 FGADHM Cc1csc([C@@H]2CCCN(c3nc(C)cc(C)c3-c3nnn[n-]3)C2)n1 ZINC000822409116 599509535 /nfs/dbraw/zinc/50/95/35/599509535.db2.gz MIWKNEJWNVHXEN-CYBMUJFWSA-N -1 3 355.471 3.027 20 0 FGADHM Cc1csc([C@@H]2CCCN(c3nc(C)cc(C)c3-c3nn[n-]n3)C2)n1 ZINC000822409116 599509537 /nfs/dbraw/zinc/50/95/37/599509537.db2.gz MIWKNEJWNVHXEN-CYBMUJFWSA-N -1 3 355.471 3.027 20 0 FGADHM CC(C)c1nc(CCNc2c(-c3nnn[n-]3)cnc3ccccc32)cs1 ZINC000820202843 599515337 /nfs/dbraw/zinc/51/53/37/599515337.db2.gz MVUGXPMRWYTGFN-UHFFFAOYSA-N -1 3 365.466 3.071 20 0 FGADHM CC(C)c1nc(CCNc2c(-c3nn[n-]n3)cnc3ccccc32)cs1 ZINC000820202843 599515338 /nfs/dbraw/zinc/51/53/38/599515338.db2.gz MVUGXPMRWYTGFN-UHFFFAOYSA-N -1 3 365.466 3.071 20 0 FGADHM Fc1ccc(CNc2c(-c3nnn[n-]3)cnc3ccccc32)cc1Cl ZINC000822771767 599517321 /nfs/dbraw/zinc/51/73/21/599517321.db2.gz MGCVFIDIEJXFCT-UHFFFAOYSA-N -1 3 354.776 3.241 20 0 FGADHM Fc1ccc(CNc2c(-c3nn[n-]n3)cnc3ccccc32)cc1Cl ZINC000822771767 599517322 /nfs/dbraw/zinc/51/73/22/599517322.db2.gz MGCVFIDIEJXFCT-UHFFFAOYSA-N -1 3 354.776 3.241 20 0 FGADHM C[C@@H](NC(=O)C[C@H](C)c1ccc(F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820220109 599518455 /nfs/dbraw/zinc/51/84/55/599518455.db2.gz NNFMVFWZSXZUMT-QWHCGFSZSA-N -1 3 353.401 3.377 20 0 FGADHM C[C@@H](NC(=O)C[C@H](C)c1ccc(F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820220109 599518456 /nfs/dbraw/zinc/51/84/56/599518456.db2.gz NNFMVFWZSXZUMT-QWHCGFSZSA-N -1 3 353.401 3.377 20 0 FGADHM Cc1[nH]c2ccccc2c1CCNc1c(-c2nnn[n-]2)cnc2ccccc21 ZINC000822010104 599519102 /nfs/dbraw/zinc/51/91/02/599519102.db2.gz NOPIXDRVERUZBH-UHFFFAOYSA-N -1 3 369.432 3.281 20 0 FGADHM Cc1[nH]c2ccccc2c1CCNc1c(-c2nn[n-]n2)cnc2ccccc21 ZINC000822010104 599519105 /nfs/dbraw/zinc/51/91/05/599519105.db2.gz NOPIXDRVERUZBH-UHFFFAOYSA-N -1 3 369.432 3.281 20 0 FGADHM C[C@H](SCC(=O)Nc1sccc1-c1nnn[n-]1)c1cccs1 ZINC000736192371 599522047 /nfs/dbraw/zinc/52/20/47/599522047.db2.gz YPCVLSGCUIASNE-QMMMGPOBSA-N -1 3 351.482 3.423 20 0 FGADHM C[C@H](SCC(=O)Nc1sccc1-c1nn[n-]n1)c1cccs1 ZINC000736192371 599522050 /nfs/dbraw/zinc/52/20/50/599522050.db2.gz YPCVLSGCUIASNE-QMMMGPOBSA-N -1 3 351.482 3.423 20 0 FGADHM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820938276 599522262 /nfs/dbraw/zinc/52/22/62/599522262.db2.gz HTXFQQYNSPPHDZ-NONVJHHQSA-N -1 3 371.485 3.418 20 0 FGADHM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820938276 599522263 /nfs/dbraw/zinc/52/22/63/599522263.db2.gz HTXFQQYNSPPHDZ-NONVJHHQSA-N -1 3 371.485 3.418 20 0 FGADHM CCCOc1cccc(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000821133700 599524325 /nfs/dbraw/zinc/52/43/25/599524325.db2.gz FIUHDXMLDRSXQO-ZDUSSCGKSA-N -1 3 351.410 3.147 20 0 FGADHM CCCOc1cccc(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000821133700 599524327 /nfs/dbraw/zinc/52/43/27/599524327.db2.gz FIUHDXMLDRSXQO-ZDUSSCGKSA-N -1 3 351.410 3.147 20 0 FGADHM C[C@@H](SCC(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1cccs1 ZINC000736192469 599524371 /nfs/dbraw/zinc/52/43/71/599524371.db2.gz ZEYOEYRYNGGLSO-LLVKDONJSA-N -1 3 359.480 3.039 20 0 FGADHM C[C@@H](SCC(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1cccs1 ZINC000736192469 599524374 /nfs/dbraw/zinc/52/43/74/599524374.db2.gz ZEYOEYRYNGGLSO-LLVKDONJSA-N -1 3 359.480 3.039 20 0 FGADHM CCc1ccc(C(=O)[C@H](C)OC(=O)c2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000825704944 607382372 /nfs/dbraw/zinc/38/23/72/607382372.db2.gz QZPKGZDIJWADTM-ZDUSSCGKSA-N -1 3 364.405 3.166 20 0 FGADHM CCc1ccc(C(=O)[C@H](C)OC(=O)c2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000825704944 607382374 /nfs/dbraw/zinc/38/23/74/607382374.db2.gz QZPKGZDIJWADTM-ZDUSSCGKSA-N -1 3 364.405 3.166 20 0 FGADHM Fc1ccc(F)c(CNc2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)c1 ZINC000822774608 599529925 /nfs/dbraw/zinc/52/99/25/599529925.db2.gz NKDYEQQDTQSAPF-UHFFFAOYSA-N -1 3 372.766 3.381 20 0 FGADHM Fc1ccc(F)c(CNc2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)c1 ZINC000822774608 599529927 /nfs/dbraw/zinc/52/99/27/599529927.db2.gz NKDYEQQDTQSAPF-UHFFFAOYSA-N -1 3 372.766 3.381 20 0 FGADHM CCc1nccn1[C@@H]1CCCN(c2c(Cl)cccc2-c2nn[n-]n2)C1 ZINC000821518254 599537903 /nfs/dbraw/zinc/53/79/03/599537903.db2.gz SGZAJSRLONNBJW-GFCCVEGCSA-N -1 3 357.849 3.121 20 0 FGADHM Cc1nc(C(C)(C)C)sc1C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822424106 599538332 /nfs/dbraw/zinc/53/83/32/599538332.db2.gz RENBHTPSCBRERR-SNVBAGLBSA-N -1 3 370.482 3.420 20 0 FGADHM Cc1nc(C(C)(C)C)sc1C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822424106 599538334 /nfs/dbraw/zinc/53/83/34/599538334.db2.gz RENBHTPSCBRERR-SNVBAGLBSA-N -1 3 370.482 3.420 20 0 FGADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)[C@@H](C)c1cccs1 ZINC000737024350 599540270 /nfs/dbraw/zinc/54/02/70/599540270.db2.gz GRUIPSHNGSMOQE-QMMMGPOBSA-N -1 3 364.814 3.299 20 0 FGADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)[C@@H](C)c1cccs1 ZINC000737024350 599540272 /nfs/dbraw/zinc/54/02/72/599540272.db2.gz GRUIPSHNGSMOQE-QMMMGPOBSA-N -1 3 364.814 3.299 20 0 FGADHM Brc1cc2c(s1)CCN(c1ccc(-c3nn[n-]n3)cc1)C2 ZINC000819689212 607383372 /nfs/dbraw/zinc/38/33/72/607383372.db2.gz XUJVHZNSLXNFEU-UHFFFAOYSA-N -1 3 362.256 3.253 20 0 FGADHM Cc1oc(-c2ccccc2)nc1C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822535631 599545441 /nfs/dbraw/zinc/54/54/41/599545441.db2.gz YWRLOVLHMAPUSR-LBPRGKRZSA-N -1 3 374.404 3.321 20 0 FGADHM Cc1oc(-c2ccccc2)nc1C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822535631 599545442 /nfs/dbraw/zinc/54/54/42/599545442.db2.gz YWRLOVLHMAPUSR-LBPRGKRZSA-N -1 3 374.404 3.321 20 0 FGADHM O=C(N[C@H]1CCC[C@H]1Cc1ccccc1)c1sccc1-c1nnn[n-]1 ZINC000738022417 599549723 /nfs/dbraw/zinc/54/97/23/599549723.db2.gz CZEOGHQKTDJUKM-ZFWWWQNUSA-N -1 3 353.451 3.069 20 0 FGADHM O=C(N[C@H]1CCC[C@H]1Cc1ccccc1)c1sccc1-c1nn[n-]n1 ZINC000738022417 599549724 /nfs/dbraw/zinc/54/97/24/599549724.db2.gz CZEOGHQKTDJUKM-ZFWWWQNUSA-N -1 3 353.451 3.069 20 0 FGADHM CN(Cc1ccco1)C(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736828204 599562760 /nfs/dbraw/zinc/56/27/60/599562760.db2.gz IZRPXCYUINVGID-UHFFFAOYSA-N -1 3 374.404 3.476 20 0 FGADHM Cc1cccc2c(CCNc3ncc(-c4nnn[n-]4)cc3Cl)c[nH]c21 ZINC000822333120 599579817 /nfs/dbraw/zinc/57/98/17/599579817.db2.gz XNAPLCWKOQGGBY-UHFFFAOYSA-N -1 3 353.817 3.359 20 0 FGADHM Cc1cccc2c(CCNc3ncc(-c4nn[n-]n4)cc3Cl)c[nH]c21 ZINC000822333120 599579819 /nfs/dbraw/zinc/57/98/19/599579819.db2.gz XNAPLCWKOQGGBY-UHFFFAOYSA-N -1 3 353.817 3.359 20 0 FGADHM c1ccc(C[C@H]2CCN(c3c(-c4nnn[n-]4)cnc4ccccc43)C2)cc1 ZINC000823779386 599580950 /nfs/dbraw/zinc/58/09/50/599580950.db2.gz BSLSLFYZFUKBLK-MRXNPFEDSA-N -1 3 356.433 3.484 20 0 FGADHM c1ccc(C[C@H]2CCN(c3c(-c4nn[n-]n4)cnc4ccccc43)C2)cc1 ZINC000823779386 599580951 /nfs/dbraw/zinc/58/09/51/599580951.db2.gz BSLSLFYZFUKBLK-MRXNPFEDSA-N -1 3 356.433 3.484 20 0 FGADHM c1ccc(C[C@@H]2CCN(c3c(-c4nnn[n-]4)cnc4ccccc43)C2)cc1 ZINC000823779385 599581044 /nfs/dbraw/zinc/58/10/44/599581044.db2.gz BSLSLFYZFUKBLK-INIZCTEOSA-N -1 3 356.433 3.484 20 0 FGADHM c1ccc(C[C@@H]2CCN(c3c(-c4nn[n-]n4)cnc4ccccc43)C2)cc1 ZINC000823779385 599581045 /nfs/dbraw/zinc/58/10/45/599581045.db2.gz BSLSLFYZFUKBLK-INIZCTEOSA-N -1 3 356.433 3.484 20 0 FGADHM CCc1noc(COc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)n1 ZINC000821558859 599589844 /nfs/dbraw/zinc/58/98/44/599589844.db2.gz IADUCZFYMKHLSY-UHFFFAOYSA-N -1 3 364.365 3.183 20 0 FGADHM CCc1noc(COc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)n1 ZINC000821558859 599589846 /nfs/dbraw/zinc/58/98/46/599589846.db2.gz IADUCZFYMKHLSY-UHFFFAOYSA-N -1 3 364.365 3.183 20 0 FGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N[C@H]1CCC[C@H]1Cc1ccccc1 ZINC000738179346 599600634 /nfs/dbraw/zinc/60/06/34/599600634.db2.gz RMRNBZWTWBWXTA-YJBOKZPZSA-N -1 3 362.437 3.400 20 0 FGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N[C@H]1CCC[C@H]1Cc1ccccc1 ZINC000738179346 599600636 /nfs/dbraw/zinc/60/06/36/599600636.db2.gz RMRNBZWTWBWXTA-YJBOKZPZSA-N -1 3 362.437 3.400 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC2(CCCC2)CC1 ZINC000737061383 599610254 /nfs/dbraw/zinc/61/02/54/599610254.db2.gz BMALTYYZSACLDU-UHFFFAOYSA-N -1 3 356.430 3.063 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC2(CCCC2)CC1 ZINC000737061383 599610256 /nfs/dbraw/zinc/61/02/56/599610256.db2.gz BMALTYYZSACLDU-UHFFFAOYSA-N -1 3 356.430 3.063 20 0 FGADHM Cc1ccc(C[C@H](C)N(C)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000737334681 599611891 /nfs/dbraw/zinc/61/18/91/599611891.db2.gz LOFVQQUNHRGQKP-ZDUSSCGKSA-N -1 3 368.416 3.409 20 0 FGADHM Cc1ccc(C[C@H](C)N(C)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000737334681 599611892 /nfs/dbraw/zinc/61/18/92/599611892.db2.gz LOFVQQUNHRGQKP-ZDUSSCGKSA-N -1 3 368.416 3.409 20 0 FGADHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)[C@H](C)c1cccs1 ZINC000736038579 599617412 /nfs/dbraw/zinc/61/74/12/599617412.db2.gz WABUJCGAWPHXDR-VXGBXAGGSA-N -1 3 358.423 3.042 20 0 FGADHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)[C@H](C)c1cccs1 ZINC000736038579 599617414 /nfs/dbraw/zinc/61/74/14/599617414.db2.gz WABUJCGAWPHXDR-VXGBXAGGSA-N -1 3 358.423 3.042 20 0 FGADHM Cc1ccc(-c2ocnc2C(=O)OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000822223933 599620857 /nfs/dbraw/zinc/62/08/57/599620857.db2.gz PSXIQGFEEJFZDG-UHFFFAOYSA-N -1 3 361.361 3.187 20 0 FGADHM Cc1ccc(-c2ocnc2C(=O)OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000822223933 599620858 /nfs/dbraw/zinc/62/08/58/599620858.db2.gz PSXIQGFEEJFZDG-UHFFFAOYSA-N -1 3 361.361 3.187 20 0 FGADHM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000820937668 599623102 /nfs/dbraw/zinc/62/31/02/599623102.db2.gz BRHNRAFOIZVKLC-XYPHTWIQSA-N -1 3 358.442 3.284 20 0 FGADHM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000820937668 599623103 /nfs/dbraw/zinc/62/31/03/599623103.db2.gz BRHNRAFOIZVKLC-XYPHTWIQSA-N -1 3 358.442 3.284 20 0 FGADHM C[C@H](CCc1cccc(F)c1)C(=O)OCc1cccc(-c2nnn[n-]2)c1 ZINC000820254112 599623682 /nfs/dbraw/zinc/62/36/82/599623682.db2.gz MUDAJOZJLDVENS-CYBMUJFWSA-N -1 3 354.385 3.318 20 0 FGADHM C[C@H](CCc1cccc(F)c1)C(=O)OCc1cccc(-c2nn[n-]n2)c1 ZINC000820254112 599623683 /nfs/dbraw/zinc/62/36/83/599623683.db2.gz MUDAJOZJLDVENS-CYBMUJFWSA-N -1 3 354.385 3.318 20 0 FGADHM C[C@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@@H](C)C2)C(F)(F)F ZINC000820728733 599628409 /nfs/dbraw/zinc/62/84/09/599628409.db2.gz XVTLLWACSQNWTN-RNFRBKRXSA-N -1 3 359.377 3.190 20 0 FGADHM C[C@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@@H](C)C2)C(F)(F)F ZINC000820728733 599628410 /nfs/dbraw/zinc/62/84/10/599628410.db2.gz XVTLLWACSQNWTN-RNFRBKRXSA-N -1 3 359.377 3.190 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccc(F)cc1 ZINC000823303809 599632609 /nfs/dbraw/zinc/63/26/09/599632609.db2.gz WEWKWUUMCXGGTL-UHFFFAOYSA-N -1 3 351.263 3.277 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccc(F)cc1 ZINC000823303809 599632610 /nfs/dbraw/zinc/63/26/10/599632610.db2.gz WEWKWUUMCXGGTL-UHFFFAOYSA-N -1 3 351.263 3.277 20 0 FGADHM CC(C)N(Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)c1ccccc1 ZINC000820120326 599636356 /nfs/dbraw/zinc/63/63/56/599636356.db2.gz BZWJONRMTSHDLC-UHFFFAOYSA-N -1 3 361.409 3.332 20 0 FGADHM CC(C)N(Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)c1ccccc1 ZINC000820120326 599636357 /nfs/dbraw/zinc/63/63/57/599636357.db2.gz BZWJONRMTSHDLC-UHFFFAOYSA-N -1 3 361.409 3.332 20 0 FGADHM Cc1c(F)cccc1NC(=O)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC000822035092 599657566 /nfs/dbraw/zinc/65/75/66/599657566.db2.gz PXBBHKBBPXFMCF-KRWDZBQOSA-N -1 3 369.400 3.356 20 0 FGADHM Cc1c(F)cccc1NC(=O)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(C)C ZINC000822035092 599657567 /nfs/dbraw/zinc/65/75/67/599657567.db2.gz PXBBHKBBPXFMCF-KRWDZBQOSA-N -1 3 369.400 3.356 20 0 FGADHM CC[C@@H]1C[C@H](C)CN1C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820967228 599663966 /nfs/dbraw/zinc/66/39/66/599663966.db2.gz MCGMFHJZUVAZQZ-GXSJLCMTSA-N -1 3 350.879 3.337 20 0 FGADHM CC[C@@H]1C[C@H](C)CN1C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820967228 599663967 /nfs/dbraw/zinc/66/39/67/599663967.db2.gz MCGMFHJZUVAZQZ-GXSJLCMTSA-N -1 3 350.879 3.337 20 0 FGADHM CC[C@](C)(NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F)c1ccccc1 ZINC000820854801 599675065 /nfs/dbraw/zinc/67/50/65/599675065.db2.gz YTDAAEBSQLPHGG-IBGZPJMESA-N -1 3 368.416 3.130 20 0 FGADHM CC[C@](C)(NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F)c1ccccc1 ZINC000820854801 599675066 /nfs/dbraw/zinc/67/50/66/599675066.db2.gz YTDAAEBSQLPHGG-IBGZPJMESA-N -1 3 368.416 3.130 20 0 FGADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1)c1cc(Oc2ccccc2)ccn1 ZINC000823444385 599684807 /nfs/dbraw/zinc/68/48/07/599684807.db2.gz LUVMYDHVVKRRNZ-UHFFFAOYSA-N -1 3 359.345 3.273 20 0 FGADHM Cc1c(F)cccc1N[C@H](C)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000822035738 599689691 /nfs/dbraw/zinc/68/96/91/599689691.db2.gz YZPMJSBHRQRBPF-SNVBAGLBSA-N -1 3 374.807 3.407 20 0 FGADHM Cc1c(F)cccc1N[C@H](C)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000822035738 599689692 /nfs/dbraw/zinc/68/96/92/599689692.db2.gz YZPMJSBHRQRBPF-SNVBAGLBSA-N -1 3 374.807 3.407 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCc1cccc(OC(F)F)c1 ZINC000826252399 607388557 /nfs/dbraw/zinc/38/85/57/607388557.db2.gz BOWRMMWRXHFCAW-UHFFFAOYSA-N -1 3 360.320 3.134 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCc1cccc(OC(F)F)c1 ZINC000826252399 607388559 /nfs/dbraw/zinc/38/85/59/607388559.db2.gz BOWRMMWRXHFCAW-UHFFFAOYSA-N -1 3 360.320 3.134 20 0 FGADHM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826316529 607391334 /nfs/dbraw/zinc/39/13/34/607391334.db2.gz REUKLXZUVWORBS-NEPJUHHUSA-N -1 3 358.398 3.223 20 0 FGADHM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826316529 607391336 /nfs/dbraw/zinc/39/13/36/607391336.db2.gz REUKLXZUVWORBS-NEPJUHHUSA-N -1 3 358.398 3.223 20 0 FGADHM Cc1ccsc1[C@H]1C[C@H]1C(=O)OCc1cc(-c2nnn[n-]2)ccc1F ZINC000826316338 607391435 /nfs/dbraw/zinc/39/14/35/607391435.db2.gz KPOBOAWTBIRRJL-QWHCGFSZSA-N -1 3 358.398 3.223 20 0 FGADHM Cc1ccsc1[C@H]1C[C@H]1C(=O)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000826316338 607391437 /nfs/dbraw/zinc/39/14/37/607391437.db2.gz KPOBOAWTBIRRJL-QWHCGFSZSA-N -1 3 358.398 3.223 20 0 FGADHM Cc1ccsc1[C@@H]1C[C@H]1C(=O)OCc1cc(-c2nnn[n-]2)ccc1F ZINC000826316336 607391503 /nfs/dbraw/zinc/39/15/03/607391503.db2.gz KPOBOAWTBIRRJL-CHWSQXEVSA-N -1 3 358.398 3.223 20 0 FGADHM Cc1ccsc1[C@@H]1C[C@H]1C(=O)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000826316336 607391505 /nfs/dbraw/zinc/39/15/05/607391505.db2.gz KPOBOAWTBIRRJL-CHWSQXEVSA-N -1 3 358.398 3.223 20 0 FGADHM O=C(Nc1c(F)cc(F)cc1F)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826450322 607395296 /nfs/dbraw/zinc/39/52/96/607395296.db2.gz GPUJSTPOOFCHAG-UHFFFAOYSA-N -1 3 374.326 3.095 20 0 FGADHM O=C(Nc1c(F)cc(F)cc1F)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826450322 607395298 /nfs/dbraw/zinc/39/52/98/607395298.db2.gz GPUJSTPOOFCHAG-UHFFFAOYSA-N -1 3 374.326 3.095 20 0 FGADHM Cc1c(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000822068020 607395640 /nfs/dbraw/zinc/39/56/40/607395640.db2.gz NRQUPYWQJNQPRE-QXMHVHEDSA-N -1 3 371.404 3.013 20 0 FGADHM Cc1c(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000822068020 607395642 /nfs/dbraw/zinc/39/56/42/607395642.db2.gz NRQUPYWQJNQPRE-QXMHVHEDSA-N -1 3 371.404 3.013 20 0 FGADHM CC(C)Oc1ccc(NC(=O)CO[C@@H]2CCC[C@@H](C)C2)cc1-c1nnn[n-]1 ZINC000820698270 607402604 /nfs/dbraw/zinc/40/26/04/607402604.db2.gz SCPPZLVWKIDDLH-UKRRQHHQSA-N -1 3 373.457 3.188 20 0 FGADHM CC(C)Oc1ccc(NC(=O)CO[C@@H]2CCC[C@@H](C)C2)cc1-c1nn[n-]n1 ZINC000820698270 607402605 /nfs/dbraw/zinc/40/26/05/607402605.db2.gz SCPPZLVWKIDDLH-UKRRQHHQSA-N -1 3 373.457 3.188 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)C1(c2ccc(F)cc2)CC1 ZINC000826253631 607407134 /nfs/dbraw/zinc/40/71/34/607407134.db2.gz XNZXEQYIZJAWOA-UHFFFAOYSA-N -1 3 352.369 3.089 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)C1(c2ccc(F)cc2)CC1 ZINC000826253631 607407135 /nfs/dbraw/zinc/40/71/35/607407135.db2.gz XNZXEQYIZJAWOA-UHFFFAOYSA-N -1 3 352.369 3.089 20 0 FGADHM COc1ccc(SCC(=O)OCc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000826211870 607407396 /nfs/dbraw/zinc/40/73/96/607407396.db2.gz XTVRBRUGQJEMAD-UHFFFAOYSA-N -1 3 370.434 3.019 20 0 FGADHM COc1ccc(SCC(=O)OCc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000826211870 607407397 /nfs/dbraw/zinc/40/73/97/607407397.db2.gz XTVRBRUGQJEMAD-UHFFFAOYSA-N -1 3 370.434 3.019 20 0 FGADHM Cc1cccc(CN(CCN(C)C)C(=O)Nc2ccc(C(=O)[O-])cc2)c1 ZINC000738308216 600008015 /nfs/dbraw/zinc/00/80/15/600008015.db2.gz OZJSQKUMBOQOJA-UHFFFAOYSA-N -1 3 355.438 3.289 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)C=C(C)c1cccc(F)c1 ZINC000821741532 607416837 /nfs/dbraw/zinc/41/68/37/607416837.db2.gz NNYODTARJCUFSX-XYOKQWHBSA-N -1 3 368.368 3.161 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)C=C(C)c1cccc(F)c1 ZINC000821741532 607416839 /nfs/dbraw/zinc/41/68/39/607416839.db2.gz NNYODTARJCUFSX-XYOKQWHBSA-N -1 3 368.368 3.161 20 0 FGADHM CN(Cc1ccc(C(=O)NC2CC2)cc1)Cc1ccc(F)cc1C(=O)[O-] ZINC000737451088 600084229 /nfs/dbraw/zinc/08/42/29/600084229.db2.gz IHTIVEZGKLZBHP-UHFFFAOYSA-N -1 3 356.397 3.048 20 0 FGADHM O=C(C=Cc1ccccc1Cl)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826402401 607423115 /nfs/dbraw/zinc/42/31/15/607423115.db2.gz SJUICARSMZQWLT-HJWRWDBZSA-N -1 3 365.824 3.339 20 0 FGADHM O=C(C=Cc1ccccc1Cl)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826402401 607423117 /nfs/dbraw/zinc/42/31/17/607423117.db2.gz SJUICARSMZQWLT-HJWRWDBZSA-N -1 3 365.824 3.339 20 0 FGADHM COC(=O)[C@@H]1CCCN(Cc2c(C(=O)[O-])sc3cccc(F)c32)C1 ZINC000737586212 600132785 /nfs/dbraw/zinc/13/27/85/600132785.db2.gz WPBAHTVTVYXCHX-SNVBAGLBSA-N -1 3 351.399 3.124 20 0 FGADHM Cc1ccc(-c2cc(C(=O)N(C)c3ccc(-c4nnn[n-]4)cc3)on2)cc1 ZINC000826273198 607437438 /nfs/dbraw/zinc/43/74/38/607437438.db2.gz TYLPQPFTXAXZCO-UHFFFAOYSA-N -1 3 360.377 3.107 20 0 FGADHM Cc1ccc(-c2cc(C(=O)N(C)c3ccc(-c4nn[n-]n4)cc3)on2)cc1 ZINC000826273198 607437441 /nfs/dbraw/zinc/43/74/41/607437441.db2.gz TYLPQPFTXAXZCO-UHFFFAOYSA-N -1 3 360.377 3.107 20 0 FGADHM C[C@H](c1ccccc1)N1CC[C@H](NC(=O)Nc2ccc(F)c(C(=O)[O-])c2)C1 ZINC000736726213 600384216 /nfs/dbraw/zinc/38/42/16/600384216.db2.gz ZUOHNZDITAJTKS-CJNGLKHVSA-N -1 3 371.412 3.481 20 0 FGADHM C[C@@H](CNC(=O)Nc1ccc(CCC(=O)[O-])cc1)N(C)Cc1ccccc1 ZINC000390429008 600403043 /nfs/dbraw/zinc/40/30/43/600403043.db2.gz OBQLUACDZYYBQS-INIZCTEOSA-N -1 3 369.465 3.346 20 0 FGADHM CSc1ccc([C@H](CC(=O)[O-])NC(=O)[C@H](C)N2CCCCCC2)cc1 ZINC000738198458 600408975 /nfs/dbraw/zinc/40/89/75/600408975.db2.gz DWPOGWJCKYHSKN-YOEHRIQHSA-N -1 3 364.511 3.305 20 0 FGADHM O=C([O-])CCN(Cc1cc(-c2ccc(Cl)cc2)no1)C[C@H]1CCCO1 ZINC000522008514 600509230 /nfs/dbraw/zinc/50/92/30/600509230.db2.gz SGWQXSZKJCTGKG-OAHLLOKOSA-N -1 3 364.829 3.451 20 0 FGADHM O=C([O-])CCN(Cc1cc(-c2ccc(Cl)cc2)no1)C[C@@H]1CCCO1 ZINC000522008512 600509300 /nfs/dbraw/zinc/50/93/00/600509300.db2.gz SGWQXSZKJCTGKG-HNNXBMFYSA-N -1 3 364.829 3.451 20 0 FGADHM O=C([O-])c1ccc(NC(=O)CC2(N3CCOCC3)CCCC2)cc1Cl ZINC000739215864 600589576 /nfs/dbraw/zinc/58/95/76/600589576.db2.gz HNCKARMJRQHZDD-UHFFFAOYSA-N -1 3 366.845 3.012 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1cc(C(F)(F)F)ccc1O ZINC000826249746 607460341 /nfs/dbraw/zinc/46/03/41/607460341.db2.gz SEYXCZZDJRMQAD-UHFFFAOYSA-N -1 3 363.299 3.152 20 0 FGADHM CCOC(=O)c1sc(C=Cc2ccc(-c3nnn[n-]3)cc2F)nc1C ZINC000821347190 607459489 /nfs/dbraw/zinc/45/94/89/607459489.db2.gz SKZJSHWMLATNCP-VOTSOKGWSA-N -1 3 359.386 3.118 20 0 FGADHM CCOC(=O)c1sc(C=Cc2ccc(-c3nn[n-]n3)cc2F)nc1C ZINC000821347190 607459490 /nfs/dbraw/zinc/45/94/90/607459490.db2.gz SKZJSHWMLATNCP-VOTSOKGWSA-N -1 3 359.386 3.118 20 0 FGADHM COc1ccc(Cl)cc1CN(C)Cc1cc(-c2nn[n-]n2)ccc1OC ZINC000821823812 607466058 /nfs/dbraw/zinc/46/60/58/607466058.db2.gz CVWGLPJEMWTGSA-UHFFFAOYSA-N -1 3 373.844 3.169 20 0 FGADHM Cc1cc(Oc2ccc(F)nc2)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000822211695 607468107 /nfs/dbraw/zinc/46/81/07/607468107.db2.gz LDTIQKGKHMKPCZ-UHFFFAOYSA-N -1 3 361.340 3.302 20 0 FGADHM Cc1cc(Oc2ccc(F)nc2)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC000822211695 607468109 /nfs/dbraw/zinc/46/81/09/607468109.db2.gz LDTIQKGKHMKPCZ-UHFFFAOYSA-N -1 3 361.340 3.302 20 0 FGADHM CCN1CCN(c2ccc(C(=O)O[C@@H](C)c3ccc(C(=O)[O-])o3)cc2)CC1 ZINC000737117602 600804795 /nfs/dbraw/zinc/80/47/95/600804795.db2.gz YRCWMEOKGPKMNA-AWEZNQCLSA-N -1 3 372.421 3.038 20 0 FGADHM Cn1nccc1[C@@H]1CCCN(CCOc2ccc(C(=O)[O-])cc2Cl)C1 ZINC000833061198 600819955 /nfs/dbraw/zinc/81/99/55/600819955.db2.gz PUZDGASCAINJQT-CQSZACIVSA-N -1 3 363.845 3.030 20 0 FGADHM Cc1nccn1[C@@H]1CCCN(CCOc2ccc(C(=O)[O-])cc2Cl)C1 ZINC000833010048 600827372 /nfs/dbraw/zinc/82/73/72/600827372.db2.gz BDSMEMCEAOTQOF-OAHLLOKOSA-N -1 3 363.845 3.259 20 0 FGADHM CC1CCN([C@H](CNC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)c2ccccc2)CC1 ZINC000828285557 600905856 /nfs/dbraw/zinc/90/58/56/600905856.db2.gz NBSKPTURIVMBLN-XUVXKRRUSA-N -1 3 372.509 3.467 20 0 FGADHM C[C@@H]1CC[C@@H](C)N1CC(=O)NC[C@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC000828213824 600949997 /nfs/dbraw/zinc/94/99/97/600949997.db2.gz DTBSPCPADCJYTB-MDZRGWNJSA-N -1 3 368.477 3.072 20 0 FGADHM C[C@H](c1ccc(C(=O)[O-])o1)N1CCC(C(=O)Nc2ccc(O)cc2)CC1 ZINC000736713368 600951493 /nfs/dbraw/zinc/95/14/93/600951493.db2.gz BCOFCTDFUVKDPQ-GFCCVEGCSA-N -1 3 358.394 3.095 20 0 FGADHM Cc1ccc([C@@H]2CCCCN2CCCN2C(=O)CS/C2=C\C(=O)[O-])o1 ZINC000738584493 600968927 /nfs/dbraw/zinc/96/89/27/600968927.db2.gz XNJAUUDJUQCSFF-FMNVXAMXSA-N -1 3 364.467 3.007 20 0 FGADHM CN(C)C[C@@H](NC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1)c1ccccc1 ZINC000830596579 601097273 /nfs/dbraw/zinc/09/72/73/601097273.db2.gz URUWLFMHQQMXPL-GOSISDBHSA-N -1 3 369.465 3.473 20 0 FGADHM O=C([O-])[C@@H](NCc1ccc(C(=O)N2CCCCC2)cc1)c1ccccc1 ZINC000833165130 601137295 /nfs/dbraw/zinc/13/72/95/601137295.db2.gz FYFIWBLAWKARME-IBGZPJMESA-N -1 3 352.434 3.228 20 0 FGADHM CCc1oc(C(=O)[O-])cc1CN1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000830368853 601417015 /nfs/dbraw/zinc/41/70/15/601417015.db2.gz DWEICKSKNBEAJZ-CYBMUJFWSA-N -1 3 366.458 3.229 20 0 FGADHM O=C([O-])c1ccc(CN2CCC[C@@H](c3nnc4n3CCCCC4)C2)cc1F ZINC000833313283 601617477 /nfs/dbraw/zinc/61/74/77/601617477.db2.gz RMALROCRWASDRV-OAHLLOKOSA-N -1 3 372.444 3.221 20 0 FGADHM CCCCN(C)C(=O)C1CCN(Cc2cc(C(=O)[O-])sc2C)CC1 ZINC000829381139 601619429 /nfs/dbraw/zinc/61/94/29/601619429.db2.gz KQPKVZDNZMEFEH-UHFFFAOYSA-N -1 3 352.500 3.225 20 0 FGADHM Cc1ccc(CN(C(=O)CN[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])C2CC2)o1 ZINC000832930177 601654209 /nfs/dbraw/zinc/65/42/09/601654209.db2.gz JNPQQKRYYOYGRX-FOIQADDNSA-N -1 3 370.449 3.131 20 0 FGADHM C[C@H](c1ccc(F)cc1)N(C)C(=O)CN[C@@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000826045408 601655123 /nfs/dbraw/zinc/65/51/23/601655123.db2.gz TUOJDNNRVDYZRS-BXTJHSDWSA-N -1 3 372.440 3.397 20 0 FGADHM Cc1ccc(C(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)c(C)c1 ZINC000832911627 601740806 /nfs/dbraw/zinc/74/08/06/601740806.db2.gz QLVZUGQQZDKSDF-JOCHJYFZSA-N -1 3 366.461 3.153 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1CN(C)Cc1ccc(F)cc1Cl ZINC000826181470 607527341 /nfs/dbraw/zinc/52/73/41/607527341.db2.gz AAKVFNYBQLKSDG-UHFFFAOYSA-N -1 3 361.808 3.300 20 0 FGADHM CCOc1ccc(CN2Cc3ccccc3C[C@@H]2C(=O)[O-])cc1OCC ZINC000830075399 601798962 /nfs/dbraw/zinc/79/89/62/601798962.db2.gz RWOYFFMAXPSFFC-GOSISDBHSA-N -1 3 355.434 3.496 20 0 FGADHM COc1ccccc1NC(=O)C1CCN(Cc2ccsc2C(=O)[O-])CC1 ZINC000832623141 601808072 /nfs/dbraw/zinc/80/80/72/601808072.db2.gz MMXAPCLPRCUXPS-UHFFFAOYSA-N -1 3 374.462 3.306 20 0 FGADHM Cc1c(C(=O)[O-])sc2[n-]c(C[NH+](CC(C)C)CC(C)C)nc(=O)c12 ZINC000832852656 601814662 /nfs/dbraw/zinc/81/46/62/601814662.db2.gz FAPWVJODHHXUEH-UHFFFAOYSA-N -1 3 351.472 3.105 20 0 FGADHM C[C@@H]1CN(Cc2ccsc2C(=O)[O-])CC[C@H]1NC(=O)OC(C)(C)C ZINC000828462416 601829282 /nfs/dbraw/zinc/82/92/82/601829282.db2.gz JLIWMFIOBGLEBC-DGCLKSJQSA-N -1 3 354.472 3.181 20 0 FGADHM C[C@@H](NC(=O)[C@H](C)N1CCC(CCC(=O)[O-])CC1)c1ccc(Cl)cc1 ZINC000662218106 601839729 /nfs/dbraw/zinc/83/97/29/601839729.db2.gz LUAPPIFUHSEDOX-KGLIPLIRSA-N -1 3 366.889 3.483 20 0 FGADHM CN(C[C@@H]1CCCN(Cc2cc(=O)oc3cc4c(cc23)CCC4)C1)C(=O)[O-] ZINC000739635709 601855120 /nfs/dbraw/zinc/85/51/20/601855120.db2.gz GHILVFCAQFSOHO-AWEZNQCLSA-N -1 3 370.449 3.104 20 0 FGADHM COc1ccc(-c2nc(CN[C@@H](C(=O)[O-])C(C)(C)C)cs2)c(OC)c1 ZINC000832129713 601869613 /nfs/dbraw/zinc/86/96/13/601869613.db2.gz LOCZGTNHAPYENB-HNNXBMFYSA-N -1 3 364.467 3.416 20 0 FGADHM C[C@]1(C(=O)[O-])CCN(Cn2nc3c4c2cccc4C(=O)c2ccccc2-3)C1 ZINC000828035509 601891847 /nfs/dbraw/zinc/89/18/47/601891847.db2.gz SAGZUDFOCNZGOX-NRFANRHFSA-N -1 3 361.401 3.002 20 0 FGADHM CC(=O)N1CCCCC[C@H]1C1CCN(Cc2ccc(C(=O)[O-])s2)CC1 ZINC000825833779 601951793 /nfs/dbraw/zinc/95/17/93/601951793.db2.gz GBXICSUSULGSTO-KRWDZBQOSA-N -1 3 364.511 3.449 20 0 FGADHM CCSc1nnc(SCc2ccc(OC)c(-c3nnn[n-]3)c2)s1 ZINC000825679809 607537256 /nfs/dbraw/zinc/53/72/56/607537256.db2.gz HUCJUUDBENXXFJ-UHFFFAOYSA-N -1 3 366.497 3.131 20 0 FGADHM CCSc1nnc(SCc2ccc(OC)c(-c3nn[n-]n3)c2)s1 ZINC000825679809 607537258 /nfs/dbraw/zinc/53/72/58/607537258.db2.gz HUCJUUDBENXXFJ-UHFFFAOYSA-N -1 3 366.497 3.131 20 0 FGADHM O=C([O-])[C@@H](c1cc(Cl)cc(Cl)c1)N1CCC[C@H](Cn2cncn2)C1 ZINC000833170033 602043162 /nfs/dbraw/zinc/04/31/62/602043162.db2.gz DWJAOZKSMMMOCA-XHDPSFHLSA-N -1 3 369.252 3.123 20 0 FGADHM Cc1c(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cnn1CCC(C)C ZINC000826234630 607541017 /nfs/dbraw/zinc/54/10/17/607541017.db2.gz HDSJFTNPOFLIMD-UHFFFAOYSA-N -1 3 373.848 3.323 20 0 FGADHM Cc1c(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cnn1CCC(C)C ZINC000826234630 607541019 /nfs/dbraw/zinc/54/10/19/607541019.db2.gz HDSJFTNPOFLIMD-UHFFFAOYSA-N -1 3 373.848 3.323 20 0 FGADHM COc1ccc(CSc2nncc3ccccc32)cc1-c1nnn[n-]1 ZINC000826207900 607544491 /nfs/dbraw/zinc/54/44/91/607544491.db2.gz JVSLDRWJUSRUAC-UHFFFAOYSA-N -1 3 350.407 3.111 20 0 FGADHM COc1ccc(CSc2nncc3ccccc32)cc1-c1nn[n-]n1 ZINC000826207900 607544492 /nfs/dbraw/zinc/54/44/92/607544492.db2.gz JVSLDRWJUSRUAC-UHFFFAOYSA-N -1 3 350.407 3.111 20 0 FGADHM CC[C@@](C)(CC(=O)[O-])NCc1nc2cc(C(F)(F)F)ccc2c(=O)[nH]1 ZINC000828671710 602215954 /nfs/dbraw/zinc/21/59/54/602215954.db2.gz FUMUQPPKYDZDRX-HNNXBMFYSA-N -1 3 357.332 3.087 20 0 FGADHM Cc1nc([C@H]2CCCN([C@H](C(=O)[O-])c3ccc(Cl)cc3Cl)C2)n[nH]1 ZINC000832997050 602234542 /nfs/dbraw/zinc/23/45/42/602234542.db2.gz OAIMEPGOFRATHG-HZMBPMFUSA-N -1 3 369.252 3.425 20 0 FGADHM Cc1n[nH]c([C@H]2CCCN([C@H](C(=O)[O-])c3ccc(Cl)cc3Cl)C2)n1 ZINC000832997050 602234545 /nfs/dbraw/zinc/23/45/45/602234545.db2.gz OAIMEPGOFRATHG-HZMBPMFUSA-N -1 3 369.252 3.425 20 0 FGADHM CCC[C@@H](O)CC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825247845 607559487 /nfs/dbraw/zinc/55/94/87/607559487.db2.gz IMKHNNQRLQOAEG-OAHLLOKOSA-N -1 3 367.409 3.149 20 0 FGADHM CCC[C@@H](O)CC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825247845 607559489 /nfs/dbraw/zinc/55/94/89/607559489.db2.gz IMKHNNQRLQOAEG-OAHLLOKOSA-N -1 3 367.409 3.149 20 0 FGADHM O=C([O-])N[C@H](C(=O)NC[C@@H](c1cccs1)N1CCCC1)c1ccccc1 ZINC000740689100 602351999 /nfs/dbraw/zinc/35/19/99/602351999.db2.gz GKZPVETVBRQAJU-RDJZCZTQSA-N -1 3 373.478 3.010 20 0 FGADHM O=C([O-])NC1(c2noc([C@@H]3CCCN(Cc4cccc(F)c4)C3)n2)CCC1 ZINC000740550064 602416342 /nfs/dbraw/zinc/41/63/42/602416342.db2.gz NRLPKYBYARSHIJ-CQSZACIVSA-N -1 3 374.416 3.235 20 0 FGADHM Cc1nn(-c2ccc(F)cc2)c(Cl)c1CNCCCN(C)C(=O)[O-] ZINC000740247588 602648760 /nfs/dbraw/zinc/64/87/60/602648760.db2.gz WRZACEUNXGXXLC-UHFFFAOYSA-N -1 3 354.813 3.063 20 0 FGADHM CCc1c(C)sc(NC(=O)c2cc(F)c(F)cc2F)c1-c1nnn[n-]1 ZINC000825686910 607585682 /nfs/dbraw/zinc/58/56/82/607585682.db2.gz BJWDJPVKGAFTMS-UHFFFAOYSA-N -1 3 367.356 3.469 20 0 FGADHM CCc1c(C)sc(NC(=O)c2cc(F)c(F)cc2F)c1-c1nn[n-]n1 ZINC000825686910 607585683 /nfs/dbraw/zinc/58/56/83/607585683.db2.gz BJWDJPVKGAFTMS-UHFFFAOYSA-N -1 3 367.356 3.469 20 0 FGADHM CN(C)[C@H](CNC(=O)Nc1cc(NC(=O)[O-])ccc1F)Cc1ccccc1 ZINC000739606666 603042559 /nfs/dbraw/zinc/04/25/59/603042559.db2.gz FZKCQGAVMNWOKY-HNNXBMFYSA-N -1 3 374.416 3.210 20 0 FGADHM COc1ccc(COC(=O)C=C(C)c2ccc(F)cc2)cc1-c1nnn[n-]1 ZINC000826205072 607603822 /nfs/dbraw/zinc/60/38/22/607603822.db2.gz JDQZESDNSBKDMX-FMIVXFBMSA-N -1 3 368.368 3.161 20 0 FGADHM COc1ccc(COC(=O)C=C(C)c2ccc(F)cc2)cc1-c1nn[n-]n1 ZINC000826205072 607603823 /nfs/dbraw/zinc/60/38/23/607603823.db2.gz JDQZESDNSBKDMX-FMIVXFBMSA-N -1 3 368.368 3.161 20 0 FGADHM COc1ccc(COC(=O)C(C)(C)c2ccccc2F)cc1-c1nnn[n-]1 ZINC000826204242 607605440 /nfs/dbraw/zinc/60/54/40/607605440.db2.gz CTQFOZDLMPJNDB-UHFFFAOYSA-N -1 3 370.384 3.035 20 0 FGADHM COc1ccc(COC(=O)C(C)(C)c2ccccc2F)cc1-c1nn[n-]n1 ZINC000826204242 607605442 /nfs/dbraw/zinc/60/54/42/607605442.db2.gz CTQFOZDLMPJNDB-UHFFFAOYSA-N -1 3 370.384 3.035 20 0 FGADHM COc1ccc(CNC(=O)Nc2ccccc2C(C)C)cc1-c1nnn[n-]1 ZINC000826200532 607615972 /nfs/dbraw/zinc/61/59/72/607615972.db2.gz VGKNZFPXVYGQLE-UHFFFAOYSA-N -1 3 366.425 3.320 20 0 FGADHM COc1ccc(CNC(=O)Nc2ccccc2C(C)C)cc1-c1nn[n-]n1 ZINC000826200532 607615974 /nfs/dbraw/zinc/61/59/74/607615974.db2.gz VGKNZFPXVYGQLE-UHFFFAOYSA-N -1 3 366.425 3.320 20 0 FGADHM Cc1ccc([C@H](CNC(=O)[C@H]2CCC[C@H](NC(=O)[O-])C2)N2CCCC2)cc1 ZINC000740116768 603251197 /nfs/dbraw/zinc/25/11/97/603251197.db2.gz GCVUUMDLQHPWRS-FHWLQOOXSA-N -1 3 373.497 3.075 20 0 FGADHM C[C@H](NCc1ccc(NC(=O)[O-])nc1)c1ccc(N2CCCC2=O)cc1 ZINC000825503497 603540432 /nfs/dbraw/zinc/54/04/32/603540432.db2.gz VKIWIIBBSMHZQH-ZDUSSCGKSA-N -1 3 354.410 3.149 20 0 FGADHM CC[C@H](NC(=O)c1ccc(-c2nnn[n-]2)cc1C)c1ccc(OC)cc1 ZINC000825133221 607654599 /nfs/dbraw/zinc/65/45/99/607654599.db2.gz LDXDOWGGHMDHSR-KRWDZBQOSA-N -1 3 351.410 3.065 20 0 FGADHM CC[C@H](NC(=O)c1ccc(-c2nn[n-]n2)cc1C)c1ccc(OC)cc1 ZINC000825133221 607654600 /nfs/dbraw/zinc/65/46/00/607654600.db2.gz LDXDOWGGHMDHSR-KRWDZBQOSA-N -1 3 351.410 3.065 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(C)[C@H](C)c1c(F)cccc1F ZINC000826243304 607659938 /nfs/dbraw/zinc/65/99/38/607659938.db2.gz CDPHEMRRVRAQMT-LLVKDONJSA-N -1 3 357.364 3.287 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(C)[C@H](C)c1c(F)cccc1F ZINC000826243304 607659940 /nfs/dbraw/zinc/65/99/40/607659940.db2.gz CDPHEMRRVRAQMT-LLVKDONJSA-N -1 3 357.364 3.287 20 0 FGADHM C[C@H](NC(=O)CN(C)C1CCN(C(=O)[O-])CC1)c1cccc2ccccc21 ZINC000825114708 603990636 /nfs/dbraw/zinc/99/06/36/603990636.db2.gz GQJFTVCTWGHJLF-HNNXBMFYSA-N -1 3 369.465 3.091 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1cccc(Cl)c1N(C)C ZINC000826250860 607665453 /nfs/dbraw/zinc/66/54/53/607665453.db2.gz WEZVUFAXIDWEMI-UHFFFAOYSA-N -1 3 356.817 3.147 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1cccc(Cl)c1N(C)C ZINC000826250860 607665455 /nfs/dbraw/zinc/66/54/55/607665455.db2.gz WEZVUFAXIDWEMI-UHFFFAOYSA-N -1 3 356.817 3.147 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccccc1OCC(C)C ZINC000826250432 607667767 /nfs/dbraw/zinc/66/77/67/607667767.db2.gz ARMIUFPBRDKPEY-UHFFFAOYSA-N -1 3 351.410 3.462 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccccc1OCC(C)C ZINC000826250432 607667769 /nfs/dbraw/zinc/66/77/69/607667769.db2.gz ARMIUFPBRDKPEY-UHFFFAOYSA-N -1 3 351.410 3.462 20 0 FGADHM O=C([O-])N[C@@H](Cc1ccccc1)[C@@H](O)CN1CCCC[C@H]1c1ccco1 ZINC000832757311 604058330 /nfs/dbraw/zinc/05/83/30/604058330.db2.gz BWQFUTISJYHBBQ-BZSNNMDCSA-N -1 3 358.438 3.046 20 0 FGADHM O=C(Nc1cccc2cccnc21)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826457376 607674400 /nfs/dbraw/zinc/67/44/00/607674400.db2.gz YMLIXIHUXKYVRP-UHFFFAOYSA-N -1 3 371.404 3.226 20 0 FGADHM O=C(Nc1cccc2cccnc21)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826457376 607674401 /nfs/dbraw/zinc/67/44/01/607674401.db2.gz YMLIXIHUXKYVRP-UHFFFAOYSA-N -1 3 371.404 3.226 20 0 FGADHM C[C@H](NC(=O)[O-])[C@H]1CCCN(Cc2ccc(SC(=O)N(C)C)cc2)C1 ZINC000825264608 604181928 /nfs/dbraw/zinc/18/19/28/604181928.db2.gz LTKITFLXYNICLO-ZFWWWQNUSA-N -1 3 365.499 3.328 20 0 FGADHM Cc1ccc(CN(C)C)cc1NC(=O)C[C@@H](C)C1CCN(C(=O)[O-])CC1 ZINC000830308673 604274366 /nfs/dbraw/zinc/27/43/66/604274366.db2.gz KTWILMXVIRVVBA-OAHLLOKOSA-N -1 3 361.486 3.411 20 0 FGADHM C[C@@](CNC(=O)[O-])(NCC(=O)Nc1ccccc1-c1ccccc1)C1CC1 ZINC000824954286 604341291 /nfs/dbraw/zinc/34/12/91/604341291.db2.gz ZOKMVLRQABEKJZ-NRFANRHFSA-N -1 3 367.449 3.318 20 0 FGADHM O=C(CNc1cccc2ccsc21)Nc1cccc(-c2nnn[n-]2)c1 ZINC000826414280 607687900 /nfs/dbraw/zinc/68/79/00/607687900.db2.gz NXNKGLUASIVVFI-UHFFFAOYSA-N -1 3 350.407 3.132 20 0 FGADHM O=C(CNc1cccc2ccsc21)Nc1cccc(-c2nn[n-]n2)c1 ZINC000826414280 607687901 /nfs/dbraw/zinc/68/79/01/607687901.db2.gz NXNKGLUASIVVFI-UHFFFAOYSA-N -1 3 350.407 3.132 20 0 FGADHM Cc1cc([C@@H](C)N2CCC[C@@H](C(=O)Nc3ccc(C)cn3)C2)oc1C(=O)[O-] ZINC000832940647 604385785 /nfs/dbraw/zinc/38/57/85/604385785.db2.gz BHVGLOAPFHCGNC-HUUCEWRRSA-N -1 3 371.437 3.401 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000826244925 607689790 /nfs/dbraw/zinc/68/97/90/607689790.db2.gz HVQLRTAHBSWWOG-QGZVFWFLSA-N -1 3 369.375 3.431 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000826244925 607689792 /nfs/dbraw/zinc/68/97/92/607689792.db2.gz HVQLRTAHBSWWOG-QGZVFWFLSA-N -1 3 369.375 3.431 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@@H](C)c1ccc(F)cc1Cl ZINC000826246663 607694167 /nfs/dbraw/zinc/69/41/67/607694167.db2.gz ISUULQAOEODTIN-JTQLQIEISA-N -1 3 359.792 3.459 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@@H](C)c1ccc(F)cc1Cl ZINC000826246663 607694168 /nfs/dbraw/zinc/69/41/68/607694168.db2.gz ISUULQAOEODTIN-JTQLQIEISA-N -1 3 359.792 3.459 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccc(Cl)nc1C ZINC000825318011 607694964 /nfs/dbraw/zinc/69/49/64/607694964.db2.gz GSVWIUITHRTBNK-UHFFFAOYSA-N -1 3 370.844 3.276 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccc(Cl)nc1C ZINC000825318011 607694965 /nfs/dbraw/zinc/69/49/65/607694965.db2.gz GSVWIUITHRTBNK-UHFFFAOYSA-N -1 3 370.844 3.276 20 0 FGADHM CC(C)(C)OC(=O)N1CCc2cccc(CN3CCC(C(=O)[O-])CC3)c21 ZINC000819921001 604516785 /nfs/dbraw/zinc/51/67/85/604516785.db2.gz BIOJSYKMUUHCOV-UHFFFAOYSA-N -1 3 360.454 3.281 20 0 FGADHM Cc1ccc(C(=O)N2C[C@@H](CN(C)C)Oc3ccccc32)cc1NC(=O)[O-] ZINC000830186410 604567389 /nfs/dbraw/zinc/56/73/89/604567389.db2.gz HBELXDFLKPIIKT-OAHLLOKOSA-N -1 3 369.421 3.054 20 0 FGADHM Cc1ccc(-c2nc(CNC(=O)c3ccc(-c4nnn[n-]4)cc3C)co2)cc1 ZINC000826273492 607699418 /nfs/dbraw/zinc/69/94/18/607699418.db2.gz GVHTXZHCXXRUMJ-UHFFFAOYSA-N -1 3 374.404 3.069 20 0 FGADHM Cc1ccc(-c2nc(CNC(=O)c3ccc(-c4nn[n-]n4)cc3C)co2)cc1 ZINC000826273492 607699419 /nfs/dbraw/zinc/69/94/19/607699419.db2.gz GVHTXZHCXXRUMJ-UHFFFAOYSA-N -1 3 374.404 3.069 20 0 FGADHM C[C@H](Oc1ccc(CN(C)C[C@@H]2OCCc3ccccc32)cc1)C(=O)[O-] ZINC000833539219 604607408 /nfs/dbraw/zinc/60/74/08/604607408.db2.gz XRRRYDDIOKLWDQ-YWZLYKJASA-N -1 3 355.434 3.284 20 0 FGADHM O=C([O-])[C@H](O)C1CCN(Cc2ccc(Sc3ccccc3)cc2)CC1 ZINC000833770821 604763261 /nfs/dbraw/zinc/76/32/61/604763261.db2.gz OEIKZHMSNAWULL-LJQANCHMSA-N -1 3 357.475 3.495 20 0 FGADHM COc1cc(N[C@@H]2CCCN(Cc3ccoc3C(=O)[O-])C2)cc(OC)c1 ZINC000832025689 604799016 /nfs/dbraw/zinc/79/90/16/604799016.db2.gz BGMQWPLHJXWNAL-CQSZACIVSA-N -1 3 360.410 3.072 20 0 FGADHM COc1ccc(C)cc1NC(=O)[C@H](C)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000833731243 604930687 /nfs/dbraw/zinc/93/06/87/604930687.db2.gz XLEWKJYBWXXMFR-LSDHHAIUSA-N -1 3 362.470 3.153 20 0 FGADHM CC[C@@H](C)OCC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000825074605 607725024 /nfs/dbraw/zinc/72/50/24/607725024.db2.gz IASXVRNOCUKANF-CYBMUJFWSA-N -1 3 367.409 3.413 20 0 FGADHM CC[C@@H](C)OCC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000825074605 607725025 /nfs/dbraw/zinc/72/50/25/607725025.db2.gz IASXVRNOCUKANF-CYBMUJFWSA-N -1 3 367.409 3.413 20 0 FGADHM Cc1nc(-c2ccc(Cl)c(Cl)c2)n(CN2CCC[C@H]2CC(=O)[O-])n1 ZINC000832991434 604982251 /nfs/dbraw/zinc/98/22/51/604982251.db2.gz SZDNCEOKNBZPRD-LBPRGKRZSA-N -1 3 369.252 3.457 20 0 FGADHM O[C@H](c1ccccc1)C1(CNc2c(F)cc(-c3nnn[n-]3)cc2F)CC1 ZINC000826505016 607735353 /nfs/dbraw/zinc/73/53/53/607735353.db2.gz KHRBMWGSGIBLQD-MRXNPFEDSA-N -1 3 357.364 3.071 20 0 FGADHM O[C@H](c1ccccc1)C1(CNc2c(F)cc(-c3nn[n-]n3)cc2F)CC1 ZINC000826505016 607735354 /nfs/dbraw/zinc/73/53/54/607735354.db2.gz KHRBMWGSGIBLQD-MRXNPFEDSA-N -1 3 357.364 3.071 20 0 FGADHM O[C@H](c1ccccc1)C1(CNc2cc(-c3nnn[n-]3)c3ccccc3n2)CC1 ZINC000826505155 607735395 /nfs/dbraw/zinc/73/53/95/607735395.db2.gz NYGBDSAWOJQBNY-LJQANCHMSA-N -1 3 372.432 3.341 20 0 FGADHM O[C@H](c1ccccc1)C1(CNc2cc(-c3nn[n-]n3)c3ccccc3n2)CC1 ZINC000826505155 607735396 /nfs/dbraw/zinc/73/53/96/607735396.db2.gz NYGBDSAWOJQBNY-LJQANCHMSA-N -1 3 372.432 3.341 20 0 FGADHM CCc1ccc([C@@H]2CCCCCN2C(=O)c2ccc(-c3nnn[n-]3)[nH]2)o1 ZINC000825704833 607741319 /nfs/dbraw/zinc/74/13/19/607741319.db2.gz NZWQMZDONWVXEF-HNNXBMFYSA-N -1 3 354.414 3.108 20 0 FGADHM CCc1ccc([C@@H]2CCCCCN2C(=O)c2ccc(-c3nn[n-]n3)[nH]2)o1 ZINC000825704833 607741320 /nfs/dbraw/zinc/74/13/20/607741320.db2.gz NZWQMZDONWVXEF-HNNXBMFYSA-N -1 3 354.414 3.108 20 0 FGADHM O=C([O-])N[C@@H]1CCC[C@@H]2CN(Cc3coc(-c4cccc(F)c4)n3)C[C@H]21 ZINC000834184737 605448750 /nfs/dbraw/zinc/44/87/50/605448750.db2.gz RKVBFAAONUIYGR-KBRIMQKVSA-N -1 3 359.401 3.349 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N1CC[C@@H]1Cc1ccccc1 ZINC000826453132 607765274 /nfs/dbraw/zinc/76/52/74/607765274.db2.gz XLXBWJYUNFFOKH-CQSZACIVSA-N -1 3 368.828 3.369 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N1CC[C@@H]1Cc1ccccc1 ZINC000826453132 607765275 /nfs/dbraw/zinc/76/52/75/607765275.db2.gz XLXBWJYUNFFOKH-CQSZACIVSA-N -1 3 368.828 3.369 20 0 FGADHM O=C([O-])N1CC[C@]2(C1)C[C@@H](NCCOC1CCCC1)c1ccccc1O2 ZINC000834085658 605633712 /nfs/dbraw/zinc/63/37/12/605633712.db2.gz MHVRZGRKCGHGLN-YLJYHZDGSA-N -1 3 360.454 3.182 20 0 FGADHM CC1=C(C(=O)Nc2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)CCC1 ZINC000824852035 607771105 /nfs/dbraw/zinc/77/11/05/607771105.db2.gz HOWZNXKZZWSAIF-UHFFFAOYSA-N -1 3 352.423 3.429 20 0 FGADHM CC1=C(C(=O)Nc2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)CCC1 ZINC000824852035 607771106 /nfs/dbraw/zinc/77/11/06/607771106.db2.gz HOWZNXKZZWSAIF-UHFFFAOYSA-N -1 3 352.423 3.429 20 0 FGADHM O=C([O-])N[C@H]1C[C@@H](NCCNC(=O)c2ccccc2Cl)c2ccccc21 ZINC000834157887 605799802 /nfs/dbraw/zinc/79/98/02/605799802.db2.gz JAQTXZLRHFDVMB-SJORKVTESA-N -1 3 373.840 3.113 20 0 FGADHM Fc1ccc(OCCNc2nc3ccccc3cc2-c2nnn[n-]2)cc1F ZINC000822782838 606079140 /nfs/dbraw/zinc/07/91/40/606079140.db2.gz IYZZBXNUIGGWDT-UHFFFAOYSA-N -1 3 368.347 3.184 20 0 FGADHM Fc1ccc(OCCNc2nc3ccccc3cc2-c2nn[n-]n2)cc1F ZINC000822782838 606079146 /nfs/dbraw/zinc/07/91/46/606079146.db2.gz IYZZBXNUIGGWDT-UHFFFAOYSA-N -1 3 368.347 3.184 20 0 FGADHM Cc1ccccc1[C@@H]1CN(c2nc3ccccc3cc2-c2nnn[n-]2)CCO1 ZINC000822352352 606092080 /nfs/dbraw/zinc/09/20/80/606092080.db2.gz XPXQIGOGYXUXLE-IBGZPJMESA-N -1 3 372.432 3.301 20 0 FGADHM Cc1ccccc1[C@@H]1CN(c2nc3ccccc3cc2-c2nn[n-]n2)CCO1 ZINC000822352352 606092083 /nfs/dbraw/zinc/09/20/83/606092083.db2.gz XPXQIGOGYXUXLE-IBGZPJMESA-N -1 3 372.432 3.301 20 0 FGADHM C[C@@H]1[C@@H](Cc2ccccc2)CCN1C(=O)c1sccc1-c1nnn[n-]1 ZINC000820642447 606104315 /nfs/dbraw/zinc/10/43/15/606104315.db2.gz IHVMGUOHLNHXEQ-TZMCWYRMSA-N -1 3 353.451 3.022 20 0 FGADHM C[C@@H]1[C@@H](Cc2ccccc2)CCN1C(=O)c1sccc1-c1nn[n-]n1 ZINC000820642447 606104317 /nfs/dbraw/zinc/10/43/17/606104317.db2.gz IHVMGUOHLNHXEQ-TZMCWYRMSA-N -1 3 353.451 3.022 20 0 FGADHM C[C@H](NC(=O)N[C@@H](C)[C@@H](C)c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820351639 606119509 /nfs/dbraw/zinc/11/95/09/606119509.db2.gz QKVABZKQVAMSNB-ILXRZTDVSA-N -1 3 364.453 3.419 20 0 FGADHM C[C@H](NC(=O)N[C@@H](C)[C@@H](C)c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820351639 606119511 /nfs/dbraw/zinc/11/95/11/606119511.db2.gz QKVABZKQVAMSNB-ILXRZTDVSA-N -1 3 364.453 3.419 20 0 FGADHM CCN(C(=O)c1cc(OC)cs1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821160436 606121825 /nfs/dbraw/zinc/12/18/25/606121825.db2.gz KTTDNIIJBSFIJH-LLVKDONJSA-N -1 3 357.439 3.160 20 0 FGADHM CCN(C(=O)c1cc(OC)cs1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821160436 606121827 /nfs/dbraw/zinc/12/18/27/606121827.db2.gz KTTDNIIJBSFIJH-LLVKDONJSA-N -1 3 357.439 3.160 20 0 FGADHM CN(C)c1cccc([C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000821590930 606125077 /nfs/dbraw/zinc/12/50/77/606125077.db2.gz MJUOTZZPLIPTGV-QGZVFWFLSA-N -1 3 352.417 3.413 20 0 FGADHM CC[C@@H](Oc1ccccc1C)C(=O)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000820937758 606148419 /nfs/dbraw/zinc/14/84/19/606148419.db2.gz CRCUTGLMUYCYLN-MRXNPFEDSA-N -1 3 352.394 3.076 20 0 FGADHM CC[C@@H](Oc1ccccc1C)C(=O)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000820937758 606148421 /nfs/dbraw/zinc/14/84/21/606148421.db2.gz CRCUTGLMUYCYLN-MRXNPFEDSA-N -1 3 352.394 3.076 20 0 FGADHM CCS[C@@H]1CCCC[C@@H]1NC(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000821456176 606152030 /nfs/dbraw/zinc/15/20/30/606152030.db2.gz NZGACGXHLDOHEX-DZGCQCFKSA-N -1 3 360.487 3.361 20 0 FGADHM CCS[C@@H]1CCCC[C@@H]1NC(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000821456176 606152031 /nfs/dbraw/zinc/15/20/31/606152031.db2.gz NZGACGXHLDOHEX-DZGCQCFKSA-N -1 3 360.487 3.361 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N(C[C@@H]1CCCO1)C1CCCC1 ZINC000822217403 606152399 /nfs/dbraw/zinc/15/23/99/606152399.db2.gz CUDAXCSDPPLUEH-INIZCTEOSA-N -1 3 370.457 3.131 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N(C[C@@H]1CCCO1)C1CCCC1 ZINC000822217403 606152401 /nfs/dbraw/zinc/15/24/01/606152401.db2.gz CUDAXCSDPPLUEH-INIZCTEOSA-N -1 3 370.457 3.131 20 0 FGADHM C[C@@H](OC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ncc(C(C)(C)C)o1 ZINC000820488412 606167196 /nfs/dbraw/zinc/16/71/96/606167196.db2.gz NTVJOBZSFXXONZ-ZWLSGLHFSA-N -1 3 367.409 3.470 20 0 FGADHM C[C@@H](OC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ncc(C(C)(C)C)o1 ZINC000820488412 606167197 /nfs/dbraw/zinc/16/71/97/606167197.db2.gz NTVJOBZSFXXONZ-ZWLSGLHFSA-N -1 3 367.409 3.470 20 0 FGADHM O=C(Nc1ccc(OCc2cn3ccccc3c2-c2nnn[n-]2)cc1)C1CC1 ZINC000823350500 606177922 /nfs/dbraw/zinc/17/79/22/606177922.db2.gz PPMYAMYYWMLWBQ-UHFFFAOYSA-N -1 3 374.404 3.047 20 0 FGADHM O=C(Nc1ccc(OCc2cn3ccccc3c2-c2nn[n-]n2)cc1)C1CC1 ZINC000823350500 606177923 /nfs/dbraw/zinc/17/79/23/606177923.db2.gz PPMYAMYYWMLWBQ-UHFFFAOYSA-N -1 3 374.404 3.047 20 0 FGADHM O=C(Oc1ccc(-c2cscn2)cc1)c1sccc1-c1nnn[n-]1 ZINC000823444735 606182728 /nfs/dbraw/zinc/18/27/28/606182728.db2.gz NYQXIXKDYXRHDN-UHFFFAOYSA-N -1 3 355.404 3.271 20 0 FGADHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CCc1ccccc1Cl ZINC000822505347 606207946 /nfs/dbraw/zinc/20/79/46/606207946.db2.gz JOBBXFRILWHJET-UHFFFAOYSA-N -1 3 365.828 3.330 20 0 FGADHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CCc1ccccc1Cl ZINC000822505347 606207948 /nfs/dbraw/zinc/20/79/48/606207948.db2.gz JOBBXFRILWHJET-UHFFFAOYSA-N -1 3 365.828 3.330 20 0 FGADHM Cc1ccc(CCNc2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)cn1 ZINC000822236455 606218516 /nfs/dbraw/zinc/21/85/16/606218516.db2.gz ZXONCBWDICISEQ-UHFFFAOYSA-N -1 3 367.363 3.051 20 0 FGADHM Cc1ccc(CCNc2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)cn1 ZINC000822236455 606218517 /nfs/dbraw/zinc/21/85/17/606218517.db2.gz ZXONCBWDICISEQ-UHFFFAOYSA-N -1 3 367.363 3.051 20 0 FGADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1ccc(SC2CCCC2)cc1 ZINC000822650779 606225738 /nfs/dbraw/zinc/22/57/38/606225738.db2.gz ZKNKZRHKLZQOFW-UHFFFAOYSA-N -1 3 368.466 3.492 20 0 FGADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1ccc(SC2CCCC2)cc1 ZINC000822650779 606225739 /nfs/dbraw/zinc/22/57/39/606225739.db2.gz ZKNKZRHKLZQOFW-UHFFFAOYSA-N -1 3 368.466 3.492 20 0 FGADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)NC1(c2ccc(Cl)cc2)CCCC1 ZINC000822631828 606240841 /nfs/dbraw/zinc/24/08/41/606240841.db2.gz JNVIIAVBPJWFHN-UHFFFAOYSA-N -1 3 370.844 3.058 20 0 FGADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)NC1(c2ccc(Cl)cc2)CCCC1 ZINC000822631828 606240843 /nfs/dbraw/zinc/24/08/43/606240843.db2.gz JNVIIAVBPJWFHN-UHFFFAOYSA-N -1 3 370.844 3.058 20 0 FGADHM Cc1ccc(N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)c(Cl)c1 ZINC000822254784 606241948 /nfs/dbraw/zinc/24/19/48/606241948.db2.gz RESOTLXYHANCQB-MRXNPFEDSA-N -1 3 368.828 3.046 20 0 FGADHM Cc1ccc(N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)c(Cl)c1 ZINC000822254784 606241950 /nfs/dbraw/zinc/24/19/50/606241950.db2.gz RESOTLXYHANCQB-MRXNPFEDSA-N -1 3 368.828 3.046 20 0 FGADHM CCCc1ccccc1N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000821142039 606244816 /nfs/dbraw/zinc/24/48/16/606244816.db2.gz CDHDMKOOHQEMAW-GOSISDBHSA-N -1 3 362.437 3.037 20 0 FGADHM CCCc1ccccc1N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000821142039 606244818 /nfs/dbraw/zinc/24/48/18/606244818.db2.gz CDHDMKOOHQEMAW-GOSISDBHSA-N -1 3 362.437 3.037 20 0 FGADHM CC(C)c1ccc(N[C@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)cc1 ZINC000820192721 606245077 /nfs/dbraw/zinc/24/50/77/606245077.db2.gz WOFYEYRATNGCEW-HNNXBMFYSA-N -1 3 368.466 3.269 20 0 FGADHM CC(C)c1ccc(N[C@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)cc1 ZINC000820192721 606245078 /nfs/dbraw/zinc/24/50/78/606245078.db2.gz WOFYEYRATNGCEW-HNNXBMFYSA-N -1 3 368.466 3.269 20 0 FGADHM Cc1ccccc1[C@H](CC(C)C)NC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000822345570 606252992 /nfs/dbraw/zinc/25/29/92/606252992.db2.gz KYZWZTQQXLNNJR-INIZCTEOSA-N -1 3 352.442 3.031 20 0 FGADHM Cc1ccccc1[C@H](CC(C)C)NC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000822345570 606252993 /nfs/dbraw/zinc/25/29/93/606252993.db2.gz KYZWZTQQXLNNJR-INIZCTEOSA-N -1 3 352.442 3.031 20 0 FGADHM CC(C)COc1ccc(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000820102701 606264158 /nfs/dbraw/zinc/26/41/58/606264158.db2.gz HMVGCDIAFPOMPO-UHFFFAOYSA-N -1 3 355.373 3.293 20 0 FGADHM CC(C)COc1ccc(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000820102701 606264160 /nfs/dbraw/zinc/26/41/60/606264160.db2.gz HMVGCDIAFPOMPO-UHFFFAOYSA-N -1 3 355.373 3.293 20 0 FGADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1c(Cl)cccc1Cl ZINC000820269726 606266404 /nfs/dbraw/zinc/26/64/04/606266404.db2.gz OUUOWGYKXWGIFU-QMMMGPOBSA-N -1 3 365.224 3.035 20 0 FGADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1c(Cl)cccc1Cl ZINC000820269726 606266406 /nfs/dbraw/zinc/26/64/06/606266406.db2.gz OUUOWGYKXWGIFU-QMMMGPOBSA-N -1 3 365.224 3.035 20 0 FGADHM Cc1cccc(CSCC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000822303867 606266912 /nfs/dbraw/zinc/26/69/12/606266912.db2.gz MWXDRCVHHHSKLS-UHFFFAOYSA-N -1 3 357.414 3.186 20 0 FGADHM Cc1cccc(CSCC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000822303867 606266914 /nfs/dbraw/zinc/26/69/14/606266914.db2.gz MWXDRCVHHHSKLS-UHFFFAOYSA-N -1 3 357.414 3.186 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000823344003 606269366 /nfs/dbraw/zinc/26/93/66/606269366.db2.gz NNAZBEGYYXSLIO-QWHCGFSZSA-N -1 3 357.776 3.401 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000823344003 606269368 /nfs/dbraw/zinc/26/93/68/606269368.db2.gz NNAZBEGYYXSLIO-QWHCGFSZSA-N -1 3 357.776 3.401 20 0 FGADHM Cc1ccc(-c2nc(NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)sc2C)s1 ZINC000822213852 606269841 /nfs/dbraw/zinc/26/98/41/606269841.db2.gz DCCLFLKMTZQJNC-UHFFFAOYSA-N -1 3 371.451 3.249 20 0 FGADHM Cc1ccc(-c2nc(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)sc2C)s1 ZINC000822213852 606269843 /nfs/dbraw/zinc/26/98/43/606269843.db2.gz DCCLFLKMTZQJNC-UHFFFAOYSA-N -1 3 371.451 3.249 20 0 FGADHM Cc1ccc(OCCC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)c(C)c1 ZINC000822263615 606270511 /nfs/dbraw/zinc/27/05/11/606270511.db2.gz VSXZWQACQPAKEZ-UHFFFAOYSA-N -1 3 355.373 3.030 20 0 FGADHM Cc1ccc(OCCC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)c(C)c1 ZINC000822263615 606270513 /nfs/dbraw/zinc/27/05/13/606270513.db2.gz VSXZWQACQPAKEZ-UHFFFAOYSA-N -1 3 355.373 3.030 20 0 FGADHM CC(C)(C)Oc1ccc(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000819951862 606271251 /nfs/dbraw/zinc/27/12/51/606271251.db2.gz YECRSUYAJYQUIG-UHFFFAOYSA-N -1 3 355.373 3.435 20 0 FGADHM CC(C)(C)Oc1ccc(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000819951862 606271253 /nfs/dbraw/zinc/27/12/53/606271253.db2.gz YECRSUYAJYQUIG-UHFFFAOYSA-N -1 3 355.373 3.435 20 0 FGADHM COc1ccc2oc(C)c(C(=O)Nc3ccc(F)cc3-c3nnn[n-]3)c2c1 ZINC000821854281 606272915 /nfs/dbraw/zinc/27/29/15/606272915.db2.gz INXGDRBIYPLBMH-UHFFFAOYSA-N -1 3 367.340 3.321 20 0 FGADHM COc1ccc2oc(C)c(C(=O)Nc3ccc(F)cc3-c3nn[n-]n3)c2c1 ZINC000821854281 606272918 /nfs/dbraw/zinc/27/29/18/606272918.db2.gz INXGDRBIYPLBMH-UHFFFAOYSA-N -1 3 367.340 3.321 20 0 FGADHM COC(=O)[C@H](NC(CC(C)C)CC(C)C)c1cccc(-c2nnn[n-]2)c1 ZINC000821642296 606304572 /nfs/dbraw/zinc/30/45/72/606304572.db2.gz GYTCNJRYCHELSJ-QGZVFWFLSA-N -1 3 359.474 3.131 20 0 FGADHM COC(=O)[C@H](NC(CC(C)C)CC(C)C)c1cccc(-c2nn[n-]n2)c1 ZINC000821642296 606304574 /nfs/dbraw/zinc/30/45/74/606304574.db2.gz GYTCNJRYCHELSJ-QGZVFWFLSA-N -1 3 359.474 3.131 20 0 FGADHM C[C@@H](NC(=O)CSc1cccc(-c2nnn[n-]2)c1)c1ccccc1Cl ZINC000820335003 606323917 /nfs/dbraw/zinc/32/39/17/606323917.db2.gz SKFWATJCTAMYAZ-LLVKDONJSA-N -1 3 373.869 3.490 20 0 FGADHM C[C@@H](NC(=O)CSc1cccc(-c2nn[n-]n2)c1)c1ccccc1Cl ZINC000820335003 606323918 /nfs/dbraw/zinc/32/39/18/606323918.db2.gz SKFWATJCTAMYAZ-LLVKDONJSA-N -1 3 373.869 3.490 20 0 FGADHM CN(C(=O)Cc1coc2cc(F)ccc12)c1ccc(-c2nnn[n-]2)cc1F ZINC000821572170 606336202 /nfs/dbraw/zinc/33/62/02/606336202.db2.gz UMRKBSMJIFLNRF-UHFFFAOYSA-N -1 3 369.331 3.097 20 0 FGADHM CN(C(=O)Cc1coc2cc(F)ccc12)c1ccc(-c2nn[n-]n2)cc1F ZINC000821572170 606336204 /nfs/dbraw/zinc/33/62/04/606336204.db2.gz UMRKBSMJIFLNRF-UHFFFAOYSA-N -1 3 369.331 3.097 20 0 FGADHM CCc1ccccc1OCC(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821496626 606344684 /nfs/dbraw/zinc/34/46/84/606344684.db2.gz JCSYLMMTGBEABL-ZDUSSCGKSA-N -1 3 352.394 3.112 20 0 FGADHM CCc1ccccc1OCC(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821496626 606344685 /nfs/dbraw/zinc/34/46/85/606344685.db2.gz JCSYLMMTGBEABL-ZDUSSCGKSA-N -1 3 352.394 3.112 20 0 FGADHM C[C@H](OC(=O)c1cccc(OC(F)F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820512300 606344723 /nfs/dbraw/zinc/34/47/23/606344723.db2.gz JFFNXYPHZXGRHO-JTQLQIEISA-N -1 3 360.320 3.386 20 0 FGADHM C[C@H](OC(=O)c1cccc(OC(F)F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820512300 606344724 /nfs/dbraw/zinc/34/47/24/606344724.db2.gz JFFNXYPHZXGRHO-JTQLQIEISA-N -1 3 360.320 3.386 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N1[C@H](C)C[C@@H]2CCCC[C@H]21 ZINC000821762457 606344919 /nfs/dbraw/zinc/34/49/19/606344919.db2.gz LXWVYQDULOFBKK-TYNCELHUSA-N -1 3 356.430 3.060 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N1[C@H](C)C[C@@H]2CCCC[C@H]21 ZINC000821762457 606344921 /nfs/dbraw/zinc/34/49/21/606344921.db2.gz LXWVYQDULOFBKK-TYNCELHUSA-N -1 3 356.430 3.060 20 0 FGADHM C[C@@H](OC(=O)c1ccc2ncsc2c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820512307 606346382 /nfs/dbraw/zinc/34/63/82/606346382.db2.gz JOFWGXPCHRIOSP-SNVBAGLBSA-N -1 3 351.391 3.394 20 0 FGADHM C[C@@H](OC(=O)c1ccc2ncsc2c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820512307 606346383 /nfs/dbraw/zinc/34/63/83/606346383.db2.gz JOFWGXPCHRIOSP-SNVBAGLBSA-N -1 3 351.391 3.394 20 0 FGADHM C[C@H](OC(=O)c1ccccc1OC(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000820512518 606346632 /nfs/dbraw/zinc/34/66/32/606346632.db2.gz LUIMNZAVGKEITP-JTQLQIEISA-N -1 3 360.320 3.386 20 0 FGADHM C[C@H](OC(=O)c1ccccc1OC(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000820512518 606346633 /nfs/dbraw/zinc/34/66/33/606346633.db2.gz LUIMNZAVGKEITP-JTQLQIEISA-N -1 3 360.320 3.386 20 0 FGADHM COc1cccc([C@@H]2C[C@@H]2C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821864345 606348087 /nfs/dbraw/zinc/34/80/87/606348087.db2.gz XXUAGVHCANWKHR-IGNZVWTISA-N -1 3 364.405 3.283 20 0 FGADHM COc1cccc([C@@H]2C[C@@H]2C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821864345 606348089 /nfs/dbraw/zinc/34/80/89/606348089.db2.gz XXUAGVHCANWKHR-IGNZVWTISA-N -1 3 364.405 3.283 20 0 FGADHM CN(C(=O)Nc1ccc(F)cc1-c1nnn[n-]1)[C@@H]1CCc2ccccc2C1 ZINC000821571716 606349155 /nfs/dbraw/zinc/34/91/55/606349155.db2.gz BSRJOKGZMFXSRD-OAHLLOKOSA-N -1 3 366.400 3.027 20 0 FGADHM CN(C(=O)Nc1ccc(F)cc1-c1nn[n-]n1)[C@@H]1CCc2ccccc2C1 ZINC000821571716 606349156 /nfs/dbraw/zinc/34/91/56/606349156.db2.gz BSRJOKGZMFXSRD-OAHLLOKOSA-N -1 3 366.400 3.027 20 0 FGADHM Cc1cccc([C@@H](C)CNC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000822288987 606351427 /nfs/dbraw/zinc/35/14/27/606351427.db2.gz OLDAJYJZAIFINV-LBPRGKRZSA-N -1 3 354.389 3.239 20 0 FGADHM Cc1cccc([C@@H](C)CNC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000822288987 606351428 /nfs/dbraw/zinc/35/14/28/606351428.db2.gz OLDAJYJZAIFINV-LBPRGKRZSA-N -1 3 354.389 3.239 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)N[C@H]1CCc2c1cccc2Cl ZINC000823343743 606355337 /nfs/dbraw/zinc/35/53/37/606355337.db2.gz FTIRFCIDDSDZEJ-AWEZNQCLSA-N -1 3 372.791 3.468 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)N[C@H]1CCc2c1cccc2Cl ZINC000823343743 606355339 /nfs/dbraw/zinc/35/53/39/606355339.db2.gz FTIRFCIDDSDZEJ-AWEZNQCLSA-N -1 3 372.791 3.468 20 0 FGADHM COc1cccc(F)c1[C@H](C)NC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000821872703 606357733 /nfs/dbraw/zinc/35/77/33/606357733.db2.gz NZGPADLBBMULQF-VIFPVBQESA-N -1 3 374.351 3.036 20 0 FGADHM COc1cccc(F)c1[C@H](C)NC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000821872703 606357735 /nfs/dbraw/zinc/35/77/35/606357735.db2.gz NZGPADLBBMULQF-VIFPVBQESA-N -1 3 374.351 3.036 20 0 FGADHM Cc1noc(C)c1CSCC(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000822522785 606358645 /nfs/dbraw/zinc/35/86/45/606358645.db2.gz NFAKZFAOPRELGE-NSHDSACASA-N -1 3 373.438 3.009 20 0 FGADHM Cc1noc(C)c1CSCC(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000822522785 606358647 /nfs/dbraw/zinc/35/86/47/606358647.db2.gz NFAKZFAOPRELGE-NSHDSACASA-N -1 3 373.438 3.009 20 0 FGADHM C[C@@H]1Cc2ccccc2[C@H]1NC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820813193 606358738 /nfs/dbraw/zinc/35/87/38/606358738.db2.gz ANAFGOTZZHRIGQ-HWPZZCPQSA-N -1 3 352.373 3.061 20 0 FGADHM C[C@@H]1Cc2ccccc2[C@H]1NC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820813193 606358740 /nfs/dbraw/zinc/35/87/40/606358740.db2.gz ANAFGOTZZHRIGQ-HWPZZCPQSA-N -1 3 352.373 3.061 20 0 FGADHM CS/C=C/C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821956119 606360897 /nfs/dbraw/zinc/36/08/97/606360897.db2.gz HNYUHCOTLCSASK-MDZDMXLPSA-N -1 3 367.434 3.261 20 0 FGADHM CS/C=C/C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821956119 606360898 /nfs/dbraw/zinc/36/08/98/606360898.db2.gz HNYUHCOTLCSASK-MDZDMXLPSA-N -1 3 367.434 3.261 20 0 FGADHM Cc1c(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cnc2ccccc12 ZINC000822020836 606362904 /nfs/dbraw/zinc/36/29/04/606362904.db2.gz KQOMRISFILXREI-ZDUSSCGKSA-N -1 3 358.405 3.214 20 0 FGADHM Cc1c(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cnc2ccccc12 ZINC000822020836 606362905 /nfs/dbraw/zinc/36/29/05/606362905.db2.gz KQOMRISFILXREI-ZDUSSCGKSA-N -1 3 358.405 3.214 20 0 FGADHM CCCCCn1nc(C)cc1NC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000821062309 606367758 /nfs/dbraw/zinc/36/77/58/606367758.db2.gz WKUJORQAESUKDN-UHFFFAOYSA-N -1 3 367.457 3.133 20 0 FGADHM CCCCCn1nc(C)cc1NC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000821062309 606367760 /nfs/dbraw/zinc/36/77/60/606367760.db2.gz WKUJORQAESUKDN-UHFFFAOYSA-N -1 3 367.457 3.133 20 0 FGADHM C[C@@H](OC(=O)c1cc2c(cccc2F)[nH]1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820506854 606398277 /nfs/dbraw/zinc/39/82/77/606398277.db2.gz CPSUQAJWRBJHJI-SNVBAGLBSA-N -1 3 351.341 3.405 20 0 FGADHM C[C@@H](OC(=O)c1cc2c(cccc2F)[nH]1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820506854 606398279 /nfs/dbraw/zinc/39/82/79/606398279.db2.gz CPSUQAJWRBJHJI-SNVBAGLBSA-N -1 3 351.341 3.405 20 0 FGADHM Cc1ccc([C@H]2CCC[C@H]2OC(=O)c2cc(-c3nnn[n-]3)cn2C)cc1 ZINC000822233733 606409645 /nfs/dbraw/zinc/40/96/45/606409645.db2.gz UEEUBHLVZBLKMV-NVXWUHKLSA-N -1 3 351.410 3.007 20 0 FGADHM Cc1ccc([C@H]2CCC[C@H]2OC(=O)c2cc(-c3nn[n-]n3)cn2C)cc1 ZINC000822233733 606409649 /nfs/dbraw/zinc/40/96/49/606409649.db2.gz UEEUBHLVZBLKMV-NVXWUHKLSA-N -1 3 351.410 3.007 20 0 FGADHM Cc1ccc(C)c(OCC(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)c1 ZINC000822231927 606413532 /nfs/dbraw/zinc/41/35/32/606413532.db2.gz MYJKZDCDKLBTTR-UHFFFAOYSA-N -1 3 371.828 3.179 20 0 FGADHM Cc1ccc(C)c(OCC(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)c1 ZINC000822231927 606413534 /nfs/dbraw/zinc/41/35/34/606413534.db2.gz MYJKZDCDKLBTTR-UHFFFAOYSA-N -1 3 371.828 3.179 20 0 FGADHM CN(C(=O)CSc1ccccc1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821571088 606414696 /nfs/dbraw/zinc/41/46/96/606414696.db2.gz ZIZZIGWOZKYUNV-UHFFFAOYSA-N -1 3 359.842 3.275 20 0 FGADHM CN(C(=O)CSc1ccccc1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821571088 606414698 /nfs/dbraw/zinc/41/46/98/606414698.db2.gz ZIZZIGWOZKYUNV-UHFFFAOYSA-N -1 3 359.842 3.275 20 0 FGADHM CC(C)OCCNc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000820145591 606445797 /nfs/dbraw/zinc/44/57/97/606445797.db2.gz BKTGGLLKEBLBRK-UHFFFAOYSA-N -1 3 353.426 3.283 20 0 FGADHM CC(C)OCCNc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000820145591 606445799 /nfs/dbraw/zinc/44/57/99/606445799.db2.gz BKTGGLLKEBLBRK-UHFFFAOYSA-N -1 3 353.426 3.283 20 0 FGADHM Cc1ccnc(-c2ccc(NCc3cc(-c4nnn[n-]4)ccc3F)cc2)n1 ZINC000822374180 606459394 /nfs/dbraw/zinc/45/93/94/606459394.db2.gz KNIRBGDOPDQTCV-UHFFFAOYSA-N -1 3 361.384 3.383 20 0 FGADHM Cc1ccnc(-c2ccc(NCc3cc(-c4nn[n-]n4)ccc3F)cc2)n1 ZINC000822374180 606459395 /nfs/dbraw/zinc/45/93/95/606459395.db2.gz KNIRBGDOPDQTCV-UHFFFAOYSA-N -1 3 361.384 3.383 20 0 FGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1)c1ccc2ccc(Cl)cc2n1 ZINC000823431586 606466161 /nfs/dbraw/zinc/46/61/61/606466161.db2.gz SLVBONCKAPQHAD-UHFFFAOYSA-N -1 3 365.780 3.425 20 0 FGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1)c1ccc2ccc(Cl)cc2n1 ZINC000823431586 606466165 /nfs/dbraw/zinc/46/61/65/606466165.db2.gz SLVBONCKAPQHAD-UHFFFAOYSA-N -1 3 365.780 3.425 20 0 FGADHM O=C(NC[C@@H]1CCC[C@H](C(F)(F)F)C1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000823175619 606482612 /nfs/dbraw/zinc/48/26/12/606482612.db2.gz KOUXUGKZDAISHN-PWSUYJOCSA-N -1 3 368.363 3.357 20 0 FGADHM O=C(NC[C@@H]1CCC[C@H](C(F)(F)F)C1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000823175619 606482614 /nfs/dbraw/zinc/48/26/14/606482614.db2.gz KOUXUGKZDAISHN-PWSUYJOCSA-N -1 3 368.363 3.357 20 0 FGADHM CC(C)(C)c1ccc(OCCNC(=O)c2cc(-c3nnn[n-]3)cs2)cc1 ZINC000819958083 606483526 /nfs/dbraw/zinc/48/35/26/606483526.db2.gz HTNLXWBTGKZECC-UHFFFAOYSA-N -1 3 371.466 3.035 20 0 FGADHM CC(C)(C)c1ccc(OCCNC(=O)c2cc(-c3nn[n-]n3)cs2)cc1 ZINC000819958083 606483527 /nfs/dbraw/zinc/48/35/27/606483527.db2.gz HTNLXWBTGKZECC-UHFFFAOYSA-N -1 3 371.466 3.035 20 0 FGADHM Cc1ncc(-c2ccc(NC(=O)c3cc(-c4nnn[n-]4)cs3)cc2)o1 ZINC000822467541 606489619 /nfs/dbraw/zinc/48/96/19/606489619.db2.gz OQQJHAAAWIKLTE-UHFFFAOYSA-N -1 3 352.379 3.144 20 0 FGADHM Cc1ncc(-c2ccc(NC(=O)c3cc(-c4nn[n-]n4)cs3)cc2)o1 ZINC000822467541 606489620 /nfs/dbraw/zinc/48/96/20/606489620.db2.gz OQQJHAAAWIKLTE-UHFFFAOYSA-N -1 3 352.379 3.144 20 0 FGADHM C[C@H](CC(C)(C)c1ccccc1)NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820227162 606498703 /nfs/dbraw/zinc/49/87/03/606498703.db2.gz ZHQPJRAKUOGAHW-GFCCVEGCSA-N -1 3 355.467 3.414 20 0 FGADHM C[C@H](CC(C)(C)c1ccccc1)NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820227162 606498705 /nfs/dbraw/zinc/49/87/05/606498705.db2.gz ZHQPJRAKUOGAHW-GFCCVEGCSA-N -1 3 355.467 3.414 20 0 FGADHM CCCCN(Cc1ccccc1F)C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821066120 606506509 /nfs/dbraw/zinc/50/65/09/606506509.db2.gz QSTIJPGNRZLPTI-UHFFFAOYSA-N -1 3 367.428 3.377 20 0 FGADHM CCCCN(Cc1ccccc1F)C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821066120 606506512 /nfs/dbraw/zinc/50/65/12/606506512.db2.gz QSTIJPGNRZLPTI-UHFFFAOYSA-N -1 3 367.428 3.377 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N[C@@H](c1ccccc1)C1CCCC1 ZINC000823092972 606513683 /nfs/dbraw/zinc/51/36/83/606513683.db2.gz QONPYXHHOZVCDW-FQEVSTJZSA-N -1 3 361.449 3.457 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N[C@@H](c1ccccc1)C1CCCC1 ZINC000823092972 606513685 /nfs/dbraw/zinc/51/36/85/606513685.db2.gz QONPYXHHOZVCDW-FQEVSTJZSA-N -1 3 361.449 3.457 20 0 FGADHM C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820665049 606514043 /nfs/dbraw/zinc/51/40/43/606514043.db2.gz DIRUQIUXFKVFGJ-ZYHUDNBSSA-N -1 3 357.414 3.086 20 0 FGADHM C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820665049 606514044 /nfs/dbraw/zinc/51/40/44/606514044.db2.gz DIRUQIUXFKVFGJ-ZYHUDNBSSA-N -1 3 357.414 3.086 20 0 FGADHM CCCOc1ccc(NC(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1Cl ZINC000821133617 606515061 /nfs/dbraw/zinc/51/50/61/606515061.db2.gz BYBQRLDONRBFLP-UHFFFAOYSA-N -1 3 371.828 3.490 20 0 FGADHM CCCOc1ccc(NC(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1Cl ZINC000821133617 606515063 /nfs/dbraw/zinc/51/50/63/606515063.db2.gz BYBQRLDONRBFLP-UHFFFAOYSA-N -1 3 371.828 3.490 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)C(C)=Cc1ccc(F)cc1 ZINC000821699490 606520527 /nfs/dbraw/zinc/52/05/27/606520527.db2.gz RWMQYCQMAFWJNT-PKNBQFBNSA-N -1 3 354.341 3.023 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)C(C)=Cc1ccc(F)cc1 ZINC000821699490 606520529 /nfs/dbraw/zinc/52/05/29/606520529.db2.gz RWMQYCQMAFWJNT-PKNBQFBNSA-N -1 3 354.341 3.023 20 0 FGADHM CC(=Cc1ccc(F)cc1)C(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000819766490 606522638 /nfs/dbraw/zinc/52/26/38/606522638.db2.gz ZOTXCSROSBASKG-ACCUITESSA-N -1 3 351.385 3.068 20 0 FGADHM CC(=Cc1ccc(F)cc1)C(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000819766490 606522639 /nfs/dbraw/zinc/52/26/39/606522639.db2.gz ZOTXCSROSBASKG-ACCUITESSA-N -1 3 351.385 3.068 20 0 FGADHM CC(=Cc1ccc(F)cc1)C(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000819766410 606522935 /nfs/dbraw/zinc/52/29/35/606522935.db2.gz YHNHXSDLEQVIAX-RAXLEYEMSA-N -1 3 351.385 3.068 20 0 FGADHM CC(=Cc1ccc(F)cc1)C(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000819766410 606522937 /nfs/dbraw/zinc/52/29/37/606522937.db2.gz YHNHXSDLEQVIAX-RAXLEYEMSA-N -1 3 351.385 3.068 20 0 FGADHM CC(C)c1nc2cc(NC(=O)Cc3cccc(-c4nnn[n-]4)c3)ccc2o1 ZINC000820202322 606524053 /nfs/dbraw/zinc/52/40/53/606524053.db2.gz GUSKEVXRAZPJNR-UHFFFAOYSA-N -1 3 362.393 3.313 20 0 FGADHM CC(C)c1nc2cc(NC(=O)Cc3cccc(-c4nn[n-]n4)c3)ccc2o1 ZINC000820202322 606524055 /nfs/dbraw/zinc/52/40/55/606524055.db2.gz GUSKEVXRAZPJNR-UHFFFAOYSA-N -1 3 362.393 3.313 20 0 FGADHM CCCCOc1ccccc1NC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821077345 606528911 /nfs/dbraw/zinc/52/89/11/606528911.db2.gz BKOCWLPUIJNZAK-UHFFFAOYSA-N -1 3 351.410 3.227 20 0 FGADHM CCCCOc1ccccc1NC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821077345 606528912 /nfs/dbraw/zinc/52/89/12/606528912.db2.gz BKOCWLPUIJNZAK-UHFFFAOYSA-N -1 3 351.410 3.227 20 0 FGADHM C[C@H](NC(=O)c1cc(-c2nnn[n-]2)cs1)c1c(F)cccc1Cl ZINC000820392209 606529262 /nfs/dbraw/zinc/52/92/62/606529262.db2.gz SLHLBLJZXADWLU-ZETCQYMHSA-N -1 3 351.794 3.212 20 0 FGADHM C[C@H](NC(=O)c1cc(-c2nn[n-]n2)cs1)c1c(F)cccc1Cl ZINC000820392209 606529264 /nfs/dbraw/zinc/52/92/64/606529264.db2.gz SLHLBLJZXADWLU-ZETCQYMHSA-N -1 3 351.794 3.212 20 0 FGADHM O=C(Nc1ccccc1NCC(F)(F)F)c1cc(-c2nnn[n-]2)cs1 ZINC000823372395 606556510 /nfs/dbraw/zinc/55/65/10/606556510.db2.gz AWZCTJWFMDVFMZ-UHFFFAOYSA-N -1 3 368.344 3.155 20 0 FGADHM O=C(Nc1ccccc1NCC(F)(F)F)c1cc(-c2nn[n-]n2)cs1 ZINC000823372395 606556511 /nfs/dbraw/zinc/55/65/11/606556511.db2.gz AWZCTJWFMDVFMZ-UHFFFAOYSA-N -1 3 368.344 3.155 20 0 FGADHM CC(C)(C)CCC(=O)OCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000819907905 606559860 /nfs/dbraw/zinc/55/98/60/606559860.db2.gz SJWPEDGPFRPCFT-UHFFFAOYSA-N -1 3 354.357 3.338 20 0 FGADHM CC(C)(C)CCC(=O)OCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000819907905 606559862 /nfs/dbraw/zinc/55/98/62/606559862.db2.gz SJWPEDGPFRPCFT-UHFFFAOYSA-N -1 3 354.357 3.338 20 0 FGADHM C[C@H]1CCN(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)[C@H]1C ZINC000820716333 606577583 /nfs/dbraw/zinc/57/75/83/606577583.db2.gz IZHOHZBJKOUOGG-IUCAKERBSA-N -1 3 354.336 3.148 20 0 FGADHM C[C@H]1CCN(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)[C@H]1C ZINC000820716333 606577585 /nfs/dbraw/zinc/57/75/85/606577585.db2.gz IZHOHZBJKOUOGG-IUCAKERBSA-N -1 3 354.336 3.148 20 0 FGADHM C[C@H]1CCN(C(=O)Cc2cccc(-c3nnn[n-]3)c2)[C@H]1c1cccc(F)c1 ZINC000820716283 606580845 /nfs/dbraw/zinc/58/08/45/606580845.db2.gz IGUGYFHSNLWPFZ-ORAYPTAESA-N -1 3 365.412 3.158 20 0 FGADHM C[C@H]1CCN(C(=O)Cc2cccc(-c3nn[n-]n3)c2)[C@H]1c1cccc(F)c1 ZINC000820716283 606580846 /nfs/dbraw/zinc/58/08/46/606580846.db2.gz IGUGYFHSNLWPFZ-ORAYPTAESA-N -1 3 365.412 3.158 20 0 FGADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)CCc1ccoc1 ZINC000820086595 606602315 /nfs/dbraw/zinc/60/23/15/606602315.db2.gz BPTAOEYBRGLQQU-UHFFFAOYSA-N -1 3 353.426 3.077 20 0 FGADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)CCc1ccoc1 ZINC000820086595 606602316 /nfs/dbraw/zinc/60/23/16/606602316.db2.gz BPTAOEYBRGLQQU-UHFFFAOYSA-N -1 3 353.426 3.077 20 0 FGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCC1(C(C)C)CC1 ZINC000820120642 606616879 /nfs/dbraw/zinc/61/68/79/606616879.db2.gz HIAZNQAFNYRSKL-UHFFFAOYSA-N -1 3 356.474 3.223 20 0 FGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCC1(C(C)C)CC1 ZINC000820120642 606616880 /nfs/dbraw/zinc/61/68/80/606616880.db2.gz HIAZNQAFNYRSKL-UHFFFAOYSA-N -1 3 356.474 3.223 20 0 FGADHM O=C(c1ccc(-c2nnn[n-]2)cn1)N1CCCCC[C@H]1/C=C\c1ccccc1 ZINC000823478741 606626305 /nfs/dbraw/zinc/62/63/05/606626305.db2.gz QQKIAPHSYJEKFV-ANGAQGJPSA-N -1 3 374.448 3.360 20 0 FGADHM O=C(c1ccc(-c2nn[n-]n2)cn1)N1CCCCC[C@H]1/C=C\c1ccccc1 ZINC000823478741 606626307 /nfs/dbraw/zinc/62/63/07/606626307.db2.gz QQKIAPHSYJEKFV-ANGAQGJPSA-N -1 3 374.448 3.360 20 0 FGADHM C[C@@H](Sc1ccc(Cl)cc1-c1nnn[n-]1)C(=O)N1CCCCCC1 ZINC000820548679 606630541 /nfs/dbraw/zinc/63/05/41/606630541.db2.gz FFOBKRNPLNPRPL-LLVKDONJSA-N -1 3 365.890 3.403 20 0 FGADHM C[C@@H](Sc1ccc(Cl)cc1-c1nn[n-]n1)C(=O)N1CCCCCC1 ZINC000820548679 606630543 /nfs/dbraw/zinc/63/05/43/606630543.db2.gz FFOBKRNPLNPRPL-LLVKDONJSA-N -1 3 365.890 3.403 20 0 FGADHM C[C@H](C(=O)NCc1ccc(-c2nnn[n-]2)cc1F)c1ccc(Cl)s1 ZINC000819866730 606630922 /nfs/dbraw/zinc/63/09/22/606630922.db2.gz PBDRPEARITYLRR-QMMMGPOBSA-N -1 3 365.821 3.141 20 0 FGADHM C[C@H](C(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1ccc(Cl)s1 ZINC000819866730 606630924 /nfs/dbraw/zinc/63/09/24/606630924.db2.gz PBDRPEARITYLRR-QMMMGPOBSA-N -1 3 365.821 3.141 20 0 FGADHM Clc1ccc(NCc2noc(Cc3ccccc3)n2)cc1-c1nnn[n-]1 ZINC000822578275 606656643 /nfs/dbraw/zinc/65/66/43/606656643.db2.gz GBZUZIYGXPFJSC-UHFFFAOYSA-N -1 3 367.800 3.106 20 0 FGADHM Clc1ccc(NCc2noc(Cc3ccccc3)n2)cc1-c1nn[n-]n1 ZINC000822578275 606656644 /nfs/dbraw/zinc/65/66/44/606656644.db2.gz GBZUZIYGXPFJSC-UHFFFAOYSA-N -1 3 367.800 3.106 20 0 FGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@@H]2CCC[C@H]21 ZINC000820151214 606657063 /nfs/dbraw/zinc/65/70/63/606657063.db2.gz CVXSRPVRBSDQBT-XJKSGUPXSA-N -1 3 370.457 3.450 20 0 FGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@@H]2CCC[C@H]21 ZINC000820151214 606657064 /nfs/dbraw/zinc/65/70/64/606657064.db2.gz CVXSRPVRBSDQBT-XJKSGUPXSA-N -1 3 370.457 3.450 20 0 FGADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)[C@H]1C[C@@H]1Cc1ccccc1 ZINC000823333044 606665797 /nfs/dbraw/zinc/66/57/97/606665797.db2.gz XJKNRKLSKYHBJR-JSGCOSHPSA-N -1 3 353.813 3.337 20 0 FGADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)[C@H]1C[C@@H]1Cc1ccccc1 ZINC000823333044 606665798 /nfs/dbraw/zinc/66/57/98/606665798.db2.gz XJKNRKLSKYHBJR-JSGCOSHPSA-N -1 3 353.813 3.337 20 0 FGADHM O=C(Nc1cc(Cl)ccc1F)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823299255 606666509 /nfs/dbraw/zinc/66/65/09/606666509.db2.gz OOHUJYYZFGCPIS-UHFFFAOYSA-N -1 3 353.691 3.190 20 0 FGADHM C[C@@H](NC(=O)CCc1cn(C)c2ccccc12)c1ccc(-c2nnn[n-]2)cc1 ZINC000820326839 606666699 /nfs/dbraw/zinc/66/66/99/606666699.db2.gz AQSWWXDNCOYINU-CQSZACIVSA-N -1 3 374.448 3.168 20 0 FGADHM C[C@@H](NC(=O)CCc1cn(C)c2ccccc12)c1ccc(-c2nn[n-]n2)cc1 ZINC000820326839 606666700 /nfs/dbraw/zinc/66/67/00/606666700.db2.gz AQSWWXDNCOYINU-CQSZACIVSA-N -1 3 374.448 3.168 20 0 FGADHM CCc1c(C)sc(NC(=O)Cc2c(F)cccc2F)c1-c1nnn[n-]1 ZINC000821466076 606676930 /nfs/dbraw/zinc/67/69/30/606676930.db2.gz VAMURBJMYYICLS-UHFFFAOYSA-N -1 3 363.393 3.258 20 0 FGADHM CCc1c(C)sc(NC(=O)Cc2c(F)cccc2F)c1-c1nn[n-]n1 ZINC000821466076 606676931 /nfs/dbraw/zinc/67/69/31/606676931.db2.gz VAMURBJMYYICLS-UHFFFAOYSA-N -1 3 363.393 3.258 20 0 FGADHM Cc1cc(F)cc2c1N(C(=O)c1c(F)cc(-c3nnn[n-]3)cc1F)CCC2 ZINC000822204354 606678553 /nfs/dbraw/zinc/67/85/53/606678553.db2.gz MQFCYJOOYKDJBZ-UHFFFAOYSA-N -1 3 373.338 3.185 20 0 FGADHM Cc1cc(F)cc2c1N(C(=O)c1c(F)cc(-c3nn[n-]n3)cc1F)CCC2 ZINC000822204354 606678554 /nfs/dbraw/zinc/67/85/54/606678554.db2.gz MQFCYJOOYKDJBZ-UHFFFAOYSA-N -1 3 373.338 3.185 20 0 FGADHM CSCc1cc(F)ccc1CNC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000821970833 606696030 /nfs/dbraw/zinc/69/60/30/606696030.db2.gz SZTDREYIWKIPEV-UHFFFAOYSA-N -1 3 372.429 3.191 20 0 FGADHM CSCc1cc(F)ccc1CNC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000821970833 606696031 /nfs/dbraw/zinc/69/60/31/606696031.db2.gz SZTDREYIWKIPEV-UHFFFAOYSA-N -1 3 372.429 3.191 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1Oc1ccc(NC(=O)C2(C)CC2)cc1 ZINC000821702511 606723226 /nfs/dbraw/zinc/72/32/26/606723226.db2.gz WAUXXFMUXDNEFW-UHFFFAOYSA-N -1 3 365.393 3.406 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1Oc1ccc(NC(=O)C2(C)CC2)cc1 ZINC000821702511 606723228 /nfs/dbraw/zinc/72/32/28/606723228.db2.gz WAUXXFMUXDNEFW-UHFFFAOYSA-N -1 3 365.393 3.406 20 0 FGADHM Cc1nc(CC(C)C)c(NC(=O)CCc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000822436485 606747512 /nfs/dbraw/zinc/74/75/12/606747512.db2.gz NTPOVNXKTLKOOT-UHFFFAOYSA-N -1 3 370.482 3.401 20 0 FGADHM Cc1nc(CC(C)C)c(NC(=O)CCc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000822436485 606747514 /nfs/dbraw/zinc/74/75/14/606747514.db2.gz NTPOVNXKTLKOOT-UHFFFAOYSA-N -1 3 370.482 3.401 20 0 FGADHM C[C@@H](OC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1c(F)cccc1F ZINC000820501764 606754970 /nfs/dbraw/zinc/75/49/70/606754970.db2.gz KZKKSCKVCAEZPY-SSDOTTSWSA-N -1 3 366.274 3.341 20 0 FGADHM C[C@@H](OC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1c(F)cccc1F ZINC000820501764 606754971 /nfs/dbraw/zinc/75/49/71/606754971.db2.gz KZKKSCKVCAEZPY-SSDOTTSWSA-N -1 3 366.274 3.341 20 0 FGADHM COC[C@@H](C)CC(=O)OCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000821681612 606760359 /nfs/dbraw/zinc/76/03/59/606760359.db2.gz OJDQLBWCYHBTKO-AWEZNQCLSA-N -1 3 366.421 3.250 20 0 FGADHM COC[C@@H](C)CC(=O)OCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000821681612 606760360 /nfs/dbraw/zinc/76/03/60/606760360.db2.gz OJDQLBWCYHBTKO-AWEZNQCLSA-N -1 3 366.421 3.250 20 0 FGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1)c1cc(C(F)(F)F)ccc1F ZINC000823431532 606762001 /nfs/dbraw/zinc/76/20/01/606762001.db2.gz QQEYSYGCGDQVFN-UHFFFAOYSA-N -1 3 366.274 3.382 20 0 FGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1)c1cc(C(F)(F)F)ccc1F ZINC000823431532 606762003 /nfs/dbraw/zinc/76/20/03/606762003.db2.gz QQEYSYGCGDQVFN-UHFFFAOYSA-N -1 3 366.274 3.382 20 0 FGADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1)c1cc(C(F)(F)F)ccc1F ZINC000823417980 606762147 /nfs/dbraw/zinc/76/21/47/606762147.db2.gz MQNCFLYAJKIBMX-UHFFFAOYSA-N -1 3 366.274 3.382 20 0 FGADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1)c1cc(C(F)(F)F)ccc1F ZINC000823417980 606762149 /nfs/dbraw/zinc/76/21/49/606762149.db2.gz MQNCFLYAJKIBMX-UHFFFAOYSA-N -1 3 366.274 3.382 20 0 FGADHM COC(=O)c1cc(COc2cc(Cl)ccc2-c2nnn[n-]2)c(C)s1 ZINC000821668272 606781105 /nfs/dbraw/zinc/78/11/05/606781105.db2.gz YEKNEIMYNKBWTJ-UHFFFAOYSA-N -1 3 364.814 3.256 20 0 FGADHM COC(=O)c1cc(COc2cc(Cl)ccc2-c2nn[n-]n2)c(C)s1 ZINC000821668272 606781106 /nfs/dbraw/zinc/78/11/06/606781106.db2.gz YEKNEIMYNKBWTJ-UHFFFAOYSA-N -1 3 364.814 3.256 20 0 FGADHM O=C(COc1cc(Cl)ccc1-c1nnn[n-]1)Nc1ccc2c(c1)CCC2 ZINC000823031621 606783893 /nfs/dbraw/zinc/78/38/93/606783893.db2.gz FHCHJUGIGNBBAO-UHFFFAOYSA-N -1 3 369.812 3.026 20 0 FGADHM O=C(COc1cc(Cl)ccc1-c1nn[n-]n1)Nc1ccc2c(c1)CCC2 ZINC000823031621 606783894 /nfs/dbraw/zinc/78/38/94/606783894.db2.gz FHCHJUGIGNBBAO-UHFFFAOYSA-N -1 3 369.812 3.026 20 0 FGADHM O=C(CC1CCSCC1)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000822945648 606811696 /nfs/dbraw/zinc/81/16/96/606811696.db2.gz MNEDSYKIMYWVPD-UHFFFAOYSA-N -1 3 371.388 3.357 20 0 FGADHM O=C(CC1CCSCC1)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000822945648 606811697 /nfs/dbraw/zinc/81/16/97/606811697.db2.gz MNEDSYKIMYWVPD-UHFFFAOYSA-N -1 3 371.388 3.357 20 0 FGADHM Cc1ccsc1CNC(=O)CS[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000822378802 606828849 /nfs/dbraw/zinc/82/88/49/606828849.db2.gz DZESKHMEXLMDFX-GFCCVEGCSA-N -1 3 373.507 3.347 20 0 FGADHM Cc1ccsc1CNC(=O)CS[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000822378802 606828850 /nfs/dbraw/zinc/82/88/50/606828850.db2.gz DZESKHMEXLMDFX-GFCCVEGCSA-N -1 3 373.507 3.347 20 0 FGADHM O=C(Nc1ccsc1)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000823375621 606830701 /nfs/dbraw/zinc/83/07/01/606830701.db2.gz BXUQXCHQKQUGPC-UHFFFAOYSA-N -1 3 370.438 3.004 20 0 FGADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OCc1ccn(C2CCCC2)n1 ZINC000821699213 606837605 /nfs/dbraw/zinc/83/76/05/606837605.db2.gz GURIXMAAUVXJGA-UHFFFAOYSA-N -1 3 374.832 3.419 20 0 FGADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OCc1ccn(C2CCCC2)n1 ZINC000821699213 606837606 /nfs/dbraw/zinc/83/76/06/606837606.db2.gz GURIXMAAUVXJGA-UHFFFAOYSA-N -1 3 374.832 3.419 20 0 FGADHM C[C@H]1CC[C@H](C(=O)Oc2ccc(-c3ccc(-c4nnn[n-]4)cc3)cc2)O1 ZINC000820674667 606838954 /nfs/dbraw/zinc/83/89/54/606838954.db2.gz FNJMMGQOPURRSF-YVEFUNNKSA-N -1 3 350.378 3.007 20 0 FGADHM C[C@H]1CC[C@H](C(=O)Oc2ccc(-c3ccc(-c4nn[n-]n4)cc3)cc2)O1 ZINC000820674667 606838955 /nfs/dbraw/zinc/83/89/55/606838955.db2.gz FNJMMGQOPURRSF-YVEFUNNKSA-N -1 3 350.378 3.007 20 0 FGADHM CCO[C@H](C)c1noc(CSc2ccc(-c3nnn[n-]3)cc2Cl)n1 ZINC000821351454 606851621 /nfs/dbraw/zinc/85/16/21/606851621.db2.gz QKDJUCNJCGNFFK-MRVPVSSYSA-N -1 3 366.834 3.293 20 0 FGADHM CCO[C@H](C)c1noc(CSc2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000821351454 606851622 /nfs/dbraw/zinc/85/16/22/606851622.db2.gz QKDJUCNJCGNFFK-MRVPVSSYSA-N -1 3 366.834 3.293 20 0 FGADHM Nc1nc(CSc2ccc(-c3nnn[n-]3)cc2Cl)nc2ccccc12 ZINC000822907549 606854304 /nfs/dbraw/zinc/85/43/04/606854304.db2.gz SIJDGGXPAOSCRD-UHFFFAOYSA-N -1 3 369.841 3.338 20 0 FGADHM Nc1nc(CSc2ccc(-c3nn[n-]n3)cc2Cl)nc2ccccc12 ZINC000822907549 606854305 /nfs/dbraw/zinc/85/43/05/606854305.db2.gz SIJDGGXPAOSCRD-UHFFFAOYSA-N -1 3 369.841 3.338 20 0 FGADHM c1ccc(NCc2cccc(OCc3ccccc3-c3nnn[n-]3)c2)nc1 ZINC000823786666 606859424 /nfs/dbraw/zinc/85/94/24/606859424.db2.gz AQNAMVUKNHZXBY-UHFFFAOYSA-N -1 3 358.405 3.453 20 0 FGADHM c1ccc(NCc2cccc(OCc3ccccc3-c3nn[n-]n3)c2)nc1 ZINC000823786666 606859426 /nfs/dbraw/zinc/85/94/26/606859426.db2.gz AQNAMVUKNHZXBY-UHFFFAOYSA-N -1 3 358.405 3.453 20 0 FGADHM CC(C)(C)c1nnc(SCCCOc2cccc(-c3nnn[n-]3)c2)o1 ZINC000819971296 606866017 /nfs/dbraw/zinc/86/60/17/606866017.db2.gz HWHVVLRGUCTIKY-UHFFFAOYSA-N -1 3 360.443 3.108 20 0 FGADHM CC(C)(C)c1nnc(SCCCOc2cccc(-c3nn[n-]n3)c2)o1 ZINC000819971296 606866018 /nfs/dbraw/zinc/86/60/18/606866018.db2.gz HWHVVLRGUCTIKY-UHFFFAOYSA-N -1 3 360.443 3.108 20 0 FGADHM Fc1cc(Cl)cc(NCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)c1 ZINC000822748023 606866220 /nfs/dbraw/zinc/86/62/20/606866220.db2.gz CZRMNJXPDYKSRF-UHFFFAOYSA-N -1 3 371.763 3.321 20 0 FGADHM Fc1cc(Cl)cc(NCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)c1 ZINC000822748023 606866222 /nfs/dbraw/zinc/86/62/22/606866222.db2.gz CZRMNJXPDYKSRF-UHFFFAOYSA-N -1 3 371.763 3.321 20 0 FGADHM O=C(N[C@@H]1CC2(CCC2)Oc2ccccc21)c1cc(-c2nnn[n-]2)cs1 ZINC000823144991 606879582 /nfs/dbraw/zinc/87/95/82/606879582.db2.gz NVBWXNBLKRJRNE-CYBMUJFWSA-N -1 3 367.434 3.105 20 0 FGADHM O=C(N[C@@H]1CC2(CCC2)Oc2ccccc21)c1cc(-c2nn[n-]n2)cs1 ZINC000823144991 606879584 /nfs/dbraw/zinc/87/95/84/606879584.db2.gz NVBWXNBLKRJRNE-CYBMUJFWSA-N -1 3 367.434 3.105 20 0 FGADHM C[C@H]1CCN(C[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)c2ccccc2S1 ZINC000820722037 606919308 /nfs/dbraw/zinc/91/93/08/606919308.db2.gz CUZSSGPUBCTPPK-SUMWQHHRSA-N -1 3 367.478 3.291 20 0 FGADHM C[C@H]1CCN(C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)c2ccccc2S1 ZINC000820722037 606919311 /nfs/dbraw/zinc/91/93/11/606919311.db2.gz CUZSSGPUBCTPPK-SUMWQHHRSA-N -1 3 367.478 3.291 20 0 FGADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OC/C(Cl)=C/Cl ZINC000820031619 606946416 /nfs/dbraw/zinc/94/64/16/606946416.db2.gz GOXBXVQXONKEAF-PGJNLMOESA-N -1 3 371.224 3.132 20 0 FGADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)OC/C(Cl)=C/Cl ZINC000820031619 606946418 /nfs/dbraw/zinc/94/64/18/606946418.db2.gz GOXBXVQXONKEAF-PGJNLMOESA-N -1 3 371.224 3.132 20 0 FGADHM Cc1ccc(Br)c(C(=O)Nc2ccccc2-c2nnn[n-]2)c1 ZINC000822225201 606956275 /nfs/dbraw/zinc/95/62/75/606956275.db2.gz RXVKQEGKEPDOBG-UHFFFAOYSA-N -1 3 358.199 3.190 20 0 FGADHM Cc1ccc(Br)c(C(=O)Nc2ccccc2-c2nn[n-]n2)c1 ZINC000822225201 606956276 /nfs/dbraw/zinc/95/62/76/606956276.db2.gz RXVKQEGKEPDOBG-UHFFFAOYSA-N -1 3 358.199 3.190 20 0 FGADHM Fc1ccc(CN2CCn3cccc3[C@@H]2c2ccccc2)cc1-c1nnn[n-]1 ZINC000822771736 606963099 /nfs/dbraw/zinc/96/30/99/606963099.db2.gz KVYLZYNFUOOYEW-FQEVSTJZSA-N -1 3 374.423 3.413 20 0 FGADHM Fc1ccc(CN2CCn3cccc3[C@@H]2c2ccccc2)cc1-c1nn[n-]n1 ZINC000822771736 606963100 /nfs/dbraw/zinc/96/31/00/606963100.db2.gz KVYLZYNFUOOYEW-FQEVSTJZSA-N -1 3 374.423 3.413 20 0 FGADHM CC[C@H](C)c1ccccc1OCC(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC000820881645 606970865 /nfs/dbraw/zinc/97/08/65/606970865.db2.gz CHGXCSSEOTYUKM-AWEZNQCLSA-N -1 3 365.437 3.422 20 0 FGADHM CC[C@H](C)c1ccccc1OCC(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC000820881645 606970868 /nfs/dbraw/zinc/97/08/68/606970868.db2.gz CHGXCSSEOTYUKM-AWEZNQCLSA-N -1 3 365.437 3.422 20 0 FGADHM Cc1ccccc1[C@@H](C)SCC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000822345606 606989324 /nfs/dbraw/zinc/98/93/24/606989324.db2.gz LXRLQYNYDHOPQZ-CQSZACIVSA-N -1 3 367.478 3.286 20 0 FGADHM Cc1ccccc1[C@@H](C)SCC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000822345606 606989326 /nfs/dbraw/zinc/98/93/26/606989326.db2.gz LXRLQYNYDHOPQZ-CQSZACIVSA-N -1 3 367.478 3.286 20 0 FGADHM Fc1ccc(-c2nnn[n-]2)cc1CSCc1cccc2nsnc21 ZINC000822761907 606989574 /nfs/dbraw/zinc/98/95/74/606989574.db2.gz VSHWIMHGNUYDFP-UHFFFAOYSA-N -1 3 358.427 3.444 20 0 FGADHM Fc1ccc(-c2nn[n-]n2)cc1CSCc1cccc2nsnc21 ZINC000822761907 606989575 /nfs/dbraw/zinc/98/95/75/606989575.db2.gz VSHWIMHGNUYDFP-UHFFFAOYSA-N -1 3 358.427 3.444 20 0 FGADHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)NCCCC1CCCC1 ZINC000819996217 606990171 /nfs/dbraw/zinc/99/01/71/606990171.db2.gz BXLBLDQQPXEIJF-UHFFFAOYSA-N -1 3 357.458 3.111 20 0 FGADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCCC1CCCC1 ZINC000819996217 606990172 /nfs/dbraw/zinc/99/01/72/606990172.db2.gz BXLBLDQQPXEIJF-UHFFFAOYSA-N -1 3 357.458 3.111 20 0 FGADHM Cc1ccc2c(CC(=O)OCc3ccc(F)c(-c4nnn[n-]4)c3)coc2c1 ZINC000822274575 606990300 /nfs/dbraw/zinc/99/03/00/606990300.db2.gz BMMALWZDQREOKG-UHFFFAOYSA-N -1 3 366.352 3.346 20 0 FGADHM Cc1ccc2c(CC(=O)OCc3ccc(F)c(-c4nn[n-]n4)c3)coc2c1 ZINC000822274575 606990301 /nfs/dbraw/zinc/99/03/01/606990301.db2.gz BMMALWZDQREOKG-UHFFFAOYSA-N -1 3 366.352 3.346 20 0 FGADHM CC(C)Oc1cccc(CC(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000820178377 606996538 /nfs/dbraw/zinc/99/65/38/606996538.db2.gz OAKHFYDFTSYYAT-UHFFFAOYSA-N -1 3 370.384 3.079 20 0 FGADHM CC(C)Oc1cccc(CC(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000820178377 606996540 /nfs/dbraw/zinc/99/65/40/606996540.db2.gz OAKHFYDFTSYYAT-UHFFFAOYSA-N -1 3 370.384 3.079 20 0 FGADHM COc1ccc(CCCC(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000821790459 606996686 /nfs/dbraw/zinc/99/66/86/606996686.db2.gz NYIIOGUBLPVPDM-UHFFFAOYSA-N -1 3 370.384 3.081 20 0 FGADHM COc1ccc(CCCC(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000821790459 606996688 /nfs/dbraw/zinc/99/66/88/606996688.db2.gz NYIIOGUBLPVPDM-UHFFFAOYSA-N -1 3 370.384 3.081 20 0 FGADHM C[C@@H](CC(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1F ZINC000820225121 606997979 /nfs/dbraw/zinc/99/79/79/606997979.db2.gz BJVUIEDHOIPKSB-NSHDSACASA-N -1 3 358.348 3.382 20 0 FGADHM C[C@@H](CC(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1F ZINC000820225121 606997980 /nfs/dbraw/zinc/99/79/80/606997980.db2.gz BJVUIEDHOIPKSB-NSHDSACASA-N -1 3 358.348 3.382 20 0 FGADHM CC(=CC(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1)c1cccc(F)c1 ZINC000819763748 606999737 /nfs/dbraw/zinc/99/97/37/606999737.db2.gz CEZHMPBTAWMQNQ-YRNVUSSQSA-N -1 3 356.332 3.292 20 0 FGADHM CC(=CC(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1)c1cccc(F)c1 ZINC000819763748 606999739 /nfs/dbraw/zinc/99/97/39/606999739.db2.gz CEZHMPBTAWMQNQ-YRNVUSSQSA-N -1 3 356.332 3.292 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)c1coc(-c2ccccc2)n1 ZINC000823427108 607001027 /nfs/dbraw/zinc/00/10/27/607001027.db2.gz WSTSQXUNQJSRCM-UHFFFAOYSA-N -1 3 365.324 3.018 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)c1coc(-c2ccccc2)n1 ZINC000823427108 607001028 /nfs/dbraw/zinc/00/10/28/607001028.db2.gz WSTSQXUNQJSRCM-UHFFFAOYSA-N -1 3 365.324 3.018 20 0 FGADHM O[C@]12CCCC[C@@H]1CN(c1ccc(C(F)(F)F)cc1-c1nnn[n-]1)CC2 ZINC000823697847 607032858 /nfs/dbraw/zinc/03/28/58/607032858.db2.gz NNYMEDNLKRGOES-WBMJQRKESA-N -1 3 367.375 3.017 20 0 FGADHM O[C@]12CCCC[C@@H]1CN(c1ccc(C(F)(F)F)cc1-c1nn[n-]n1)CC2 ZINC000823697847 607032859 /nfs/dbraw/zinc/03/28/59/607032859.db2.gz NNYMEDNLKRGOES-WBMJQRKESA-N -1 3 367.375 3.017 20 0 FGADHM O[C@@]12CCCC[C@H]1CN(c1ccc(-c3nnn[n-]3)c(C(F)(F)F)c1)CC2 ZINC000823699806 607034134 /nfs/dbraw/zinc/03/41/34/607034134.db2.gz YAOJIYOTLUUGSP-MEDUHNTESA-N -1 3 367.375 3.017 20 0 FGADHM O[C@@]12CCCC[C@H]1CN(c1ccc(-c3nn[n-]n3)c(C(F)(F)F)c1)CC2 ZINC000823699806 607034135 /nfs/dbraw/zinc/03/41/35/607034135.db2.gz YAOJIYOTLUUGSP-MEDUHNTESA-N -1 3 367.375 3.017 20 0 FGADHM O[C@@]12CCCC[C@H]1CN(c1ccc(-c3nn[n-]n3)cc1C(F)(F)F)CC2 ZINC000823699977 607034227 /nfs/dbraw/zinc/03/42/27/607034227.db2.gz YTHJGXUMAVGLIP-BLLLJJGKSA-N -1 3 367.375 3.017 20 0 FGADHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCCC(C)(C)CC1 ZINC000820596928 607044717 /nfs/dbraw/zinc/04/47/17/607044717.db2.gz VLSGLMWRZBFDFK-UHFFFAOYSA-N -1 3 357.458 3.063 20 0 FGADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCCC(C)(C)CC1 ZINC000820596928 607044719 /nfs/dbraw/zinc/04/47/19/607044719.db2.gz VLSGLMWRZBFDFK-UHFFFAOYSA-N -1 3 357.458 3.063 20 0 FGADHM Cc1cc(Oc2ccc(Br)cc2-c2nnn[n-]2)nc(C2CC2)n1 ZINC000822211966 607045859 /nfs/dbraw/zinc/04/58/59/607045859.db2.gz VVDZVOBYNXPEPD-UHFFFAOYSA-N -1 3 373.214 3.397 20 0 FGADHM Cc1cc(Oc2ccc(Br)cc2-c2nn[n-]n2)nc(C2CC2)n1 ZINC000822211966 607045861 /nfs/dbraw/zinc/04/58/61/607045861.db2.gz VVDZVOBYNXPEPD-UHFFFAOYSA-N -1 3 373.214 3.397 20 0 FGADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)C[C@@H]1CC[C@H](C)C1 ZINC000821699405 607052810 /nfs/dbraw/zinc/05/28/10/607052810.db2.gz OVODPOXXBQPUNW-VHSXEESVSA-N -1 3 350.806 3.260 20 0 FGADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)C[C@@H]1CC[C@H](C)C1 ZINC000821699405 607052813 /nfs/dbraw/zinc/05/28/13/607052813.db2.gz OVODPOXXBQPUNW-VHSXEESVSA-N -1 3 350.806 3.260 20 0 FGADHM C[C@H](NCc1ccc(-c2nnn[n-]2)cc1F)c1nc2ccccc2s1 ZINC000820427218 607059029 /nfs/dbraw/zinc/05/90/29/607059029.db2.gz QIXVQLNACRKVDN-JTQLQIEISA-N -1 3 354.414 3.466 20 0 FGADHM C[C@H](NCc1ccc(-c2nn[n-]n2)cc1F)c1nc2ccccc2s1 ZINC000820427218 607059030 /nfs/dbraw/zinc/05/90/30/607059030.db2.gz QIXVQLNACRKVDN-JTQLQIEISA-N -1 3 354.414 3.466 20 0 FGADHM Fc1ccc(-c2nnn[n-]2)c(CN2CCO[C@H](c3ccccc3Cl)C2)c1 ZINC000822758201 607064831 /nfs/dbraw/zinc/06/48/31/607064831.db2.gz LKSSNTMTENBHCW-KRWDZBQOSA-N -1 3 373.819 3.233 20 0 FGADHM Fc1ccc(-c2nn[n-]n2)c(CN2CCO[C@H](c3ccccc3Cl)C2)c1 ZINC000822758201 607064833 /nfs/dbraw/zinc/06/48/33/607064833.db2.gz LKSSNTMTENBHCW-KRWDZBQOSA-N -1 3 373.819 3.233 20 0 FGADHM C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)N1Cc1cc(F)ccc1-c1nn[n-]n1 ZINC000820804354 607065000 /nfs/dbraw/zinc/06/50/00/607065000.db2.gz REGHMTQRKHPNPF-PJIJBLCYSA-N -1 3 367.428 3.356 20 0 FGADHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)OCc1cccc(Cl)c1 ZINC000820004766 607080258 /nfs/dbraw/zinc/08/02/58/607080258.db2.gz BHPFIIHUIIWFJA-UHFFFAOYSA-N -1 3 372.812 3.421 20 0 FGADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OCc1cccc(Cl)c1 ZINC000820004766 607080260 /nfs/dbraw/zinc/08/02/60/607080260.db2.gz BHPFIIHUIIWFJA-UHFFFAOYSA-N -1 3 372.812 3.421 20 0 FGADHM O=C(CCc1cc(Cl)cs1)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000822974244 607084691 /nfs/dbraw/zinc/08/46/91/607084691.db2.gz CVXKFGKKGCDVFM-UHFFFAOYSA-N -1 3 366.805 3.397 20 0 FGADHM O=C(CCc1cc(Cl)cs1)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000822974244 607084692 /nfs/dbraw/zinc/08/46/92/607084692.db2.gz CVXKFGKKGCDVFM-UHFFFAOYSA-N -1 3 366.805 3.397 20 0 FGADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)C[C@@H](C)c1ccccc1 ZINC000821292564 607100124 /nfs/dbraw/zinc/10/01/24/607100124.db2.gz CKMCHLCPRWXXGD-CYBMUJFWSA-N -1 3 350.426 3.431 20 0 FGADHM CC1CCC(N(C(=O)NCc2cccc(-c3nnn[n-]3)c2)C2CC2)CC1 ZINC000820691876 607101535 /nfs/dbraw/zinc/10/15/35/607101535.db2.gz ZWZFUHUJDVIAFQ-UHFFFAOYSA-N -1 3 354.458 3.119 20 0 FGADHM CC1CCC(N(C(=O)NCc2cccc(-c3nn[n-]n3)c2)C2CC2)CC1 ZINC000820691876 607101536 /nfs/dbraw/zinc/10/15/36/607101536.db2.gz ZWZFUHUJDVIAFQ-UHFFFAOYSA-N -1 3 354.458 3.119 20 0 FGADHM C[C@H](NC(=O)N(C1CC1)C1CCCCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820341274 607108320 /nfs/dbraw/zinc/10/83/20/607108320.db2.gz PFGHVURXLQOPQU-ZDUSSCGKSA-N -1 3 354.458 3.434 20 0 FGADHM C[C@H](NC(=O)N(C1CC1)C1CCCCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820341274 607108323 /nfs/dbraw/zinc/10/83/23/607108323.db2.gz PFGHVURXLQOPQU-ZDUSSCGKSA-N -1 3 354.458 3.434 20 0 FGADHM Cc1cc(C)n(-c2ccc([C@H](C)Nc3ccc(-c4nnn[n-]4)cn3)cc2)n1 ZINC000822197695 607110019 /nfs/dbraw/zinc/11/00/19/607110019.db2.gz LJNWRDNPMAHWDG-AWEZNQCLSA-N -1 3 360.425 3.237 20 0 FGADHM Cc1cc(C)n(-c2ccc([C@H](C)Nc3ccc(-c4nn[n-]n4)cn3)cc2)n1 ZINC000822197695 607110020 /nfs/dbraw/zinc/11/00/20/607110020.db2.gz LJNWRDNPMAHWDG-AWEZNQCLSA-N -1 3 360.425 3.237 20 0 FGADHM O=C1OC(c2ccc(-c3nnn[n-]3)cc2)=NC1=Cc1cccc(Cl)c1F ZINC000823547808 607111802 /nfs/dbraw/zinc/11/18/02/607111802.db2.gz PJTSHQMLFAGCTK-JYRVWZFOSA-N -1 3 369.743 3.004 20 0 FGADHM O=C1OC(c2ccc(-c3nn[n-]n3)cc2)=NC1=Cc1cccc(Cl)c1F ZINC000823547808 607111803 /nfs/dbraw/zinc/11/18/03/607111803.db2.gz PJTSHQMLFAGCTK-JYRVWZFOSA-N -1 3 369.743 3.004 20 0 FGADHM C[C@@]1(c2ccccc2)CN(c2nc3ccccc3cc2-c2nnn[n-]2)CCO1 ZINC000820637553 607115793 /nfs/dbraw/zinc/11/57/93/607115793.db2.gz ZKUAMJMMINZHSZ-NRFANRHFSA-N -1 3 372.432 3.167 20 0 FGADHM C[C@@]1(c2ccccc2)CN(c2nc3ccccc3cc2-c2nn[n-]n2)CCO1 ZINC000820637553 607115794 /nfs/dbraw/zinc/11/57/94/607115794.db2.gz ZKUAMJMMINZHSZ-NRFANRHFSA-N -1 3 372.432 3.167 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)/C=C/SCc1ccco1 ZINC000821389789 607130131 /nfs/dbraw/zinc/13/01/31/607130131.db2.gz QFEGCUWDZQGMIP-VQHVLOKHSA-N -1 3 372.406 3.211 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)/C=C/SCc1ccco1 ZINC000821389789 607130133 /nfs/dbraw/zinc/13/01/33/607130133.db2.gz QFEGCUWDZQGMIP-VQHVLOKHSA-N -1 3 372.406 3.211 20 0 FGADHM Cc1cc(Oc2ncccc2-c2nnn[n-]2)ccc1NC(=O)C1(C)CC1 ZINC000822211648 607155400 /nfs/dbraw/zinc/15/54/00/607155400.db2.gz IWHABISNDBNAHY-UHFFFAOYSA-N -1 3 350.382 3.101 20 0 FGADHM O=C(Cc1ccc(F)cc1Cl)OCc1ccc(-c2nnn[n-]2)cc1F ZINC000823082106 607155515 /nfs/dbraw/zinc/15/55/15/607155515.db2.gz AAVADZMWCGDHPC-UHFFFAOYSA-N -1 3 364.739 3.084 20 0 FGADHM O=C(Cc1ccc(F)cc1Cl)OCc1ccc(-c2nn[n-]n2)cc1F ZINC000823082106 607155517 /nfs/dbraw/zinc/15/55/17/607155517.db2.gz AAVADZMWCGDHPC-UHFFFAOYSA-N -1 3 364.739 3.084 20 0 FGADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)[C@H](C)COc2ccccc2)s1 ZINC000821465086 607157247 /nfs/dbraw/zinc/15/72/47/607157247.db2.gz BCSFPUKZVMEHHT-LLVKDONJSA-N -1 3 357.439 3.144 20 0 FGADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)[C@H](C)COc2ccccc2)s1 ZINC000821465086 607157249 /nfs/dbraw/zinc/15/72/49/607157249.db2.gz BCSFPUKZVMEHHT-LLVKDONJSA-N -1 3 357.439 3.144 20 0 FGADHM C[C@@H](N[C@@H](C)c1nc(-c2ccccc2)no1)c1cccc(-c2nnn[n-]2)c1 ZINC000820413819 607172111 /nfs/dbraw/zinc/17/21/11/607172111.db2.gz VZUBANUAISHZBG-OLZOCXBDSA-N -1 3 361.409 3.329 20 0 FGADHM C[C@@H](N[C@@H](C)c1nc(-c2ccccc2)no1)c1cccc(-c2nn[n-]n2)c1 ZINC000820413819 607172112 /nfs/dbraw/zinc/17/21/12/607172112.db2.gz VZUBANUAISHZBG-OLZOCXBDSA-N -1 3 361.409 3.329 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N[C@H]1C[C@@H]1Cc1ccccc1 ZINC000823319294 607195132 /nfs/dbraw/zinc/19/51/32/607195132.db2.gz RRRWRZJRTVUDFN-BBRMVZONSA-N -1 3 368.828 3.273 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N[C@H]1C[C@@H]1Cc1ccccc1 ZINC000823319294 607195133 /nfs/dbraw/zinc/19/51/33/607195133.db2.gz RRRWRZJRTVUDFN-BBRMVZONSA-N -1 3 368.828 3.273 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)Nc1ccc(F)cc1NC1CC1 ZINC000822934926 607223287 /nfs/dbraw/zinc/22/32/87/607223287.db2.gz DZWNEAVWXPHYIV-YHYXMXQVSA-N -1 3 364.384 3.232 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)Nc1ccc(F)cc1NC1CC1 ZINC000822934926 607223288 /nfs/dbraw/zinc/22/32/88/607223288.db2.gz DZWNEAVWXPHYIV-YHYXMXQVSA-N -1 3 364.384 3.232 20 0 FGADHM C[C@H](OC(=O)Cc1cc(F)c(F)cc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000820497946 607238828 /nfs/dbraw/zinc/23/88/28/607238828.db2.gz XDOSIOBFUPOMGY-VIFPVBQESA-N -1 3 362.311 3.131 20 0 FGADHM C[C@H](OC(=O)Cc1cc(F)c(F)cc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000820497946 607238829 /nfs/dbraw/zinc/23/88/29/607238829.db2.gz XDOSIOBFUPOMGY-VIFPVBQESA-N -1 3 362.311 3.131 20 0 FGADHM COc1ccc(Cl)cc1C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821825199 607243683 /nfs/dbraw/zinc/24/36/83/607243683.db2.gz UOGUTSRXNUCDES-UHFFFAOYSA-N -1 3 364.192 3.434 20 0 FGADHM COc1ccc(Cl)cc1C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821825199 607243684 /nfs/dbraw/zinc/24/36/84/607243684.db2.gz UOGUTSRXNUCDES-UHFFFAOYSA-N -1 3 364.192 3.434 20 0 FGADHM COCc1c2ccccc2oc1C(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000821694916 607247214 /nfs/dbraw/zinc/24/72/14/607247214.db2.gz ASNSEBZZXYWTHR-UHFFFAOYSA-N -1 3 368.324 3.118 20 0 FGADHM COCc1c2ccccc2oc1C(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000821694916 607247215 /nfs/dbraw/zinc/24/72/15/607247215.db2.gz ASNSEBZZXYWTHR-UHFFFAOYSA-N -1 3 368.324 3.118 20 0 FGADHM Cc1ccc(-c2ocnc2C(=O)Oc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000822224032 607250306 /nfs/dbraw/zinc/25/03/06/607250306.db2.gz TWELWJLSOIENDR-UHFFFAOYSA-N -1 3 365.324 3.188 20 0 FGADHM Cc1ccc(-c2ocnc2C(=O)Oc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000822224032 607250307 /nfs/dbraw/zinc/25/03/07/607250307.db2.gz TWELWJLSOIENDR-UHFFFAOYSA-N -1 3 365.324 3.188 20 0 FGADHM CC(C)c1cccnc1NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000824353018 607778423 /nfs/dbraw/zinc/77/84/23/607778423.db2.gz UELWFCLPWAYMGD-UHFFFAOYSA-N -1 3 354.439 3.116 20 0 FGADHM CC(C)c1cccnc1NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000824353018 607778424 /nfs/dbraw/zinc/77/84/24/607778424.db2.gz UELWFCLPWAYMGD-UHFFFAOYSA-N -1 3 354.439 3.116 20 0 FGADHM CC[C@H](CSc1ccccc1)NC(=O)c1sccc1-c1nnn[n-]1 ZINC000825128730 607779597 /nfs/dbraw/zinc/77/95/97/607779597.db2.gz XZQCKFBBMDSQBK-LLVKDONJSA-N -1 3 359.480 3.229 20 0 FGADHM CC[C@H](CSc1ccccc1)NC(=O)c1sccc1-c1nn[n-]n1 ZINC000825128730 607779598 /nfs/dbraw/zinc/77/95/98/607779598.db2.gz XZQCKFBBMDSQBK-LLVKDONJSA-N -1 3 359.480 3.229 20 0 FGADHM Cc1nc(Cl)ccc1C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000826326481 607782695 /nfs/dbraw/zinc/78/26/95/607782695.db2.gz RDLFTRNMEPUACV-UHFFFAOYSA-N -1 3 374.857 3.416 20 0 FGADHM Cc1nc(Cl)ccc1C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000826326481 607782696 /nfs/dbraw/zinc/78/26/96/607782696.db2.gz RDLFTRNMEPUACV-UHFFFAOYSA-N -1 3 374.857 3.416 20 0 FGADHM CN(C(=O)[C@@H]1CCSc2ccccc21)c1ccccc1-c1nnn[n-]1 ZINC000825812954 607787299 /nfs/dbraw/zinc/78/72/99/607787299.db2.gz YREDFSZOPYYSLW-CYBMUJFWSA-N -1 3 351.435 3.109 20 0 FGADHM CN(C(=O)[C@@H]1CCSc2ccccc21)c1ccccc1-c1nn[n-]n1 ZINC000825812954 607787300 /nfs/dbraw/zinc/78/73/00/607787300.db2.gz YREDFSZOPYYSLW-CYBMUJFWSA-N -1 3 351.435 3.109 20 0 FGADHM CC(C)c1ccccc1OCC(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC000824352982 607788648 /nfs/dbraw/zinc/78/86/48/607788648.db2.gz SJGRZLKCWMKYGZ-UHFFFAOYSA-N -1 3 351.410 3.032 20 0 FGADHM CC(C)c1ccccc1OCC(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC000824352982 607788649 /nfs/dbraw/zinc/78/86/49/607788649.db2.gz SJGRZLKCWMKYGZ-UHFFFAOYSA-N -1 3 351.410 3.032 20 0 FGADHM Cc1ccc(Br)c(C(=O)N(C)c2ccccc2-c2nnn[n-]2)c1 ZINC000826281459 607789276 /nfs/dbraw/zinc/78/92/76/607789276.db2.gz SUDVEHQQIMBRHY-UHFFFAOYSA-N -1 3 372.226 3.214 20 0 FGADHM Cc1ccc(Br)c(C(=O)N(C)c2ccccc2-c2nn[n-]n2)c1 ZINC000826281459 607789277 /nfs/dbraw/zinc/78/92/77/607789277.db2.gz SUDVEHQQIMBRHY-UHFFFAOYSA-N -1 3 372.226 3.214 20 0 FGADHM CSc1ccc(O[C@H](C)C(=O)N(C)c2ccccc2-c2nnn[n-]2)cc1 ZINC000826230623 607791169 /nfs/dbraw/zinc/79/11/69/607791169.db2.gz BSYJSZFZVXRHQA-GFCCVEGCSA-N -1 3 369.450 3.019 20 0 FGADHM CSc1ccc(O[C@H](C)C(=O)N(C)c2ccccc2-c2nn[n-]n2)cc1 ZINC000826230623 607791170 /nfs/dbraw/zinc/79/11/70/607791170.db2.gz BSYJSZFZVXRHQA-GFCCVEGCSA-N -1 3 369.450 3.019 20 0 FGADHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)CC1(C)CCCCC1 ZINC000826158460 607794206 /nfs/dbraw/zinc/79/42/06/607794206.db2.gz PVCCETPDPYXVPO-UHFFFAOYSA-N -1 3 371.485 3.202 20 0 FGADHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)CC1(C)CCCCC1 ZINC000826158460 607794207 /nfs/dbraw/zinc/79/42/07/607794207.db2.gz PVCCETPDPYXVPO-UHFFFAOYSA-N -1 3 371.485 3.202 20 0 FGADHM CCN(C(=O)c1ccc(CSC)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825380535 607795706 /nfs/dbraw/zinc/79/57/06/607795706.db2.gz QGMGKXJYKRHPCJ-UHFFFAOYSA-N -1 3 353.451 3.396 20 0 FGADHM CCN(C(=O)c1ccc(CSC)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825380535 607795707 /nfs/dbraw/zinc/79/57/07/607795707.db2.gz QGMGKXJYKRHPCJ-UHFFFAOYSA-N -1 3 353.451 3.396 20 0 FGADHM Cc1nnccc1C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826338064 607796111 /nfs/dbraw/zinc/79/61/11/607796111.db2.gz JSHMRCBADCEYMV-UHFFFAOYSA-N -1 3 373.376 3.010 20 0 FGADHM Cc1nnccc1C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826338064 607796112 /nfs/dbraw/zinc/79/61/12/607796112.db2.gz JSHMRCBADCEYMV-UHFFFAOYSA-N -1 3 373.376 3.010 20 0 FGADHM CCN(C(=O)C/C=C/c1ccc(F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825372119 607796433 /nfs/dbraw/zinc/79/64/33/607796433.db2.gz QQYTXXRJXNTWHI-ONEGZZNKSA-N -1 3 351.385 3.462 20 0 FGADHM CCN(C(=O)C/C=C/c1ccc(F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825372119 607796434 /nfs/dbraw/zinc/79/64/34/607796434.db2.gz QQYTXXRJXNTWHI-ONEGZZNKSA-N -1 3 351.385 3.462 20 0 FGADHM CCN(C(=O)c1coc(-c2ccccc2)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825390460 607796973 /nfs/dbraw/zinc/79/69/73/607796973.db2.gz FTGMBEMUIKRDJX-UHFFFAOYSA-N -1 3 360.377 3.188 20 0 FGADHM CCN(C(=O)c1coc(-c2ccccc2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825390460 607796974 /nfs/dbraw/zinc/79/69/74/607796974.db2.gz FTGMBEMUIKRDJX-UHFFFAOYSA-N -1 3 360.377 3.188 20 0 FGADHM CCN(C(=O)c1ccc(-n2ccc(C)n2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825379197 607800058 /nfs/dbraw/zinc/80/00/58/607800058.db2.gz CCARCXCZEFDHIJ-UHFFFAOYSA-N -1 3 373.420 3.028 20 0 FGADHM CCN(C(=O)c1ccc(-n2ccc(C)n2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825379197 607800059 /nfs/dbraw/zinc/80/00/59/607800059.db2.gz CCARCXCZEFDHIJ-UHFFFAOYSA-N -1 3 373.420 3.028 20 0 FGADHM CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c1C(C)C ZINC000824009738 607805949 /nfs/dbraw/zinc/80/59/49/607805949.db2.gz CPANQMCXNOOWKP-UHFFFAOYSA-N -1 3 370.388 3.221 20 0 FGADHM CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c1C(C)C ZINC000824009738 607805950 /nfs/dbraw/zinc/80/59/50/607805950.db2.gz CPANQMCXNOOWKP-UHFFFAOYSA-N -1 3 370.388 3.221 20 0 FGADHM COc1cccc([C@@H](OC(=O)c2cc(-c3nnn[n-]3)cn2C)C(C)(C)C)c1 ZINC000826215780 607836888 /nfs/dbraw/zinc/83/68/88/607836888.db2.gz YRHFNGUMNXKQHK-MRXNPFEDSA-N -1 3 369.425 3.158 20 0 FGADHM COc1cccc([C@@H](OC(=O)c2cc(-c3nn[n-]n3)cn2C)C(C)(C)C)c1 ZINC000826215780 607836889 /nfs/dbraw/zinc/83/68/89/607836889.db2.gz YRHFNGUMNXKQHK-MRXNPFEDSA-N -1 3 369.425 3.158 20 0 FGADHM OCC[C@@H](Nc1ccc2cc(-c3nnn[n-]3)ccc2n1)c1cccs1 ZINC000826509334 607842459 /nfs/dbraw/zinc/84/24/59/607842459.db2.gz SESLUKDKSIDBDK-CQSZACIVSA-N -1 3 352.423 3.012 20 0 FGADHM OCC[C@@H](Nc1ccc2cc(-c3nn[n-]n3)ccc2n1)c1cccs1 ZINC000826509334 607842460 /nfs/dbraw/zinc/84/24/60/607842460.db2.gz SESLUKDKSIDBDK-CQSZACIVSA-N -1 3 352.423 3.012 20 0 FGADHM O[C@H](CSc1ccc(-c2nnn[n-]2)cc1Cl)c1cccc(F)c1 ZINC000826504909 607843463 /nfs/dbraw/zinc/84/34/63/607843463.db2.gz HUPFGWZDCFVFSV-CYBMUJFWSA-N -1 3 350.806 3.485 20 0 FGADHM O[C@H](CSc1ccc(-c2nn[n-]n2)cc1Cl)c1cccc(F)c1 ZINC000826504909 607843464 /nfs/dbraw/zinc/84/34/64/607843464.db2.gz HUPFGWZDCFVFSV-CYBMUJFWSA-N -1 3 350.806 3.485 20 0 FGADHM Clc1cc(-c2nnn[n-]2)ccc1SCc1nc(-c2ccccn2)no1 ZINC000826351121 607844830 /nfs/dbraw/zinc/84/48/30/607844830.db2.gz XWDFCLLLVSCQEP-UHFFFAOYSA-N -1 3 371.813 3.257 20 0 FGADHM Clc1cc(-c2nn[n-]n2)ccc1SCc1nc(-c2ccccn2)no1 ZINC000826351121 607844831 /nfs/dbraw/zinc/84/48/31/607844831.db2.gz XWDFCLLLVSCQEP-UHFFFAOYSA-N -1 3 371.813 3.257 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC[C@H](O)c1ccccc1 ZINC000825608990 607872488 /nfs/dbraw/zinc/87/24/88/607872488.db2.gz GSPBNJYPABLAIN-AWEZNQCLSA-N -1 3 360.801 3.031 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC[C@H](O)c1ccccc1 ZINC000825608990 607872489 /nfs/dbraw/zinc/87/24/89/607872489.db2.gz GSPBNJYPABLAIN-AWEZNQCLSA-N -1 3 360.801 3.031 20 0 FGADHM CCN(C(=O)C(F)(F)c1ccc(OC)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367993 607926935 /nfs/dbraw/zinc/92/69/35/607926935.db2.gz ZAIFHGXSZCKFNA-UHFFFAOYSA-N -1 3 373.363 3.020 20 0 FGADHM CCN(C(=O)C(F)(F)c1ccc(OC)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367993 607926936 /nfs/dbraw/zinc/92/69/36/607926936.db2.gz ZAIFHGXSZCKFNA-UHFFFAOYSA-N -1 3 373.363 3.020 20 0 FGADHM CC(C)[C@@H](C(=O)Oc1ccc(-c2nnn[n-]2)cc1F)c1ccc(F)cc1 ZINC000824185173 607927702 /nfs/dbraw/zinc/92/77/02/607927702.db2.gz SKLZVTCUELHZHF-MRXNPFEDSA-N -1 3 358.348 3.490 20 0 FGADHM CC(C)[C@@H](C(=O)Oc1ccc(-c2nn[n-]n2)cc1F)c1ccc(F)cc1 ZINC000824185173 607927703 /nfs/dbraw/zinc/92/77/03/607927703.db2.gz SKLZVTCUELHZHF-MRXNPFEDSA-N -1 3 358.348 3.490 20 0 FGADHM CC[C@@H](Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)c1c(C)noc1C ZINC000825146631 607936341 /nfs/dbraw/zinc/93/63/41/607936341.db2.gz DVNMRQBFTFWUEP-SNVBAGLBSA-N -1 3 367.335 3.449 20 0 FGADHM CC[C@@H](Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)c1c(C)noc1C ZINC000825146631 607936340 /nfs/dbraw/zinc/93/63/40/607936340.db2.gz DVNMRQBFTFWUEP-SNVBAGLBSA-N -1 3 367.335 3.449 20 0 FGADHM O=C(C=Cc1ccnc2ccccc12)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826402993 607952880 /nfs/dbraw/zinc/95/28/80/607952880.db2.gz HHBGEKFZDAVNSB-BQYQJAHWSA-N -1 3 368.400 3.017 20 0 FGADHM O=C(C=Cc1ccnc2ccccc12)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826402993 607952881 /nfs/dbraw/zinc/95/28/81/607952881.db2.gz HHBGEKFZDAVNSB-BQYQJAHWSA-N -1 3 368.400 3.017 20 0 FGADHM O=C(NC[C@@H]1Cc2ccccc21)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000826435474 607964670 /nfs/dbraw/zinc/96/46/70/607964670.db2.gz PHZWLZRZXLVVDP-NSHDSACASA-N -1 3 374.231 3.243 20 0 FGADHM O=C(NC[C@@H]1Cc2ccccc21)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000826435474 607964671 /nfs/dbraw/zinc/96/46/71/607964671.db2.gz PHZWLZRZXLVVDP-NSHDSACASA-N -1 3 374.231 3.243 20 0 FGADHM O=C(C=Cc1ccc(Cl)nc1)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826400303 607967476 /nfs/dbraw/zinc/96/74/76/607967476.db2.gz VDFGEYIVMOKZDY-KXFIGUGUSA-N -1 3 361.192 3.220 20 0 FGADHM O=C(C=Cc1ccc(Cl)nc1)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826400303 607967477 /nfs/dbraw/zinc/96/74/77/607967477.db2.gz VDFGEYIVMOKZDY-KXFIGUGUSA-N -1 3 361.192 3.220 20 0 FGADHM Cc1nnc(Sc2ccc(-c3nnn[n-]3)cn2)n1[C@@H]1CCC[C@@H](C)C1 ZINC000826337347 607968879 /nfs/dbraw/zinc/96/88/79/607968879.db2.gz LHDJWAFXZOZTFZ-ZWNOBZJWSA-N -1 3 356.459 3.064 20 0 FGADHM Cc1nnc(Sc2ccc(-c3nn[n-]n3)cn2)n1[C@@H]1CCC[C@@H](C)C1 ZINC000826337347 607968880 /nfs/dbraw/zinc/96/88/80/607968880.db2.gz LHDJWAFXZOZTFZ-ZWNOBZJWSA-N -1 3 356.459 3.064 20 0 FGADHM CC(=Cc1ccc(Cl)cc1)C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000759028489 607970266 /nfs/dbraw/zinc/97/02/66/607970266.db2.gz QHJVOBGGVSRNKE-ZRDIBKRKSA-N -1 3 353.813 3.240 20 0 FGADHM CC(=Cc1ccc(Cl)cc1)C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000759028489 607970267 /nfs/dbraw/zinc/97/02/67/607970267.db2.gz QHJVOBGGVSRNKE-ZRDIBKRKSA-N -1 3 353.813 3.240 20 0 FGADHM O=C(OCc1cc(-c2nn[n-]n2)ccc1F)c1cc(C2CCCCC2)[nH]n1 ZINC000826464189 607979933 /nfs/dbraw/zinc/97/99/33/607979933.db2.gz MCEQOGVTUIEOTE-UHFFFAOYSA-N -1 3 370.388 3.134 20 0 FGADHM O[C@@H](COc1ccc(-c2nnn[n-]2)cc1F)c1ccc(Cl)cc1Cl ZINC000826504601 607982368 /nfs/dbraw/zinc/98/23/68/607982368.db2.gz ZLUOFRJPKONFEA-ZDUSSCGKSA-N -1 3 369.183 3.425 20 0 FGADHM O[C@@H](COc1ccc(-c2nn[n-]n2)cc1F)c1ccc(Cl)cc1Cl ZINC000826504601 607982369 /nfs/dbraw/zinc/98/23/69/607982369.db2.gz ZLUOFRJPKONFEA-ZDUSSCGKSA-N -1 3 369.183 3.425 20 0 FGADHM O=C1[C@H](Sc2cccc(-c3nnn[n-]3)c2)CCCN1Cc1ccccc1 ZINC000826477732 608023854 /nfs/dbraw/zinc/02/38/54/608023854.db2.gz JWTMNOZTWRCOMG-QGZVFWFLSA-N -1 3 365.462 3.150 20 0 FGADHM O=C1[C@H](Sc2cccc(-c3nn[n-]n3)c2)CCCN1Cc1ccccc1 ZINC000826477732 608023855 /nfs/dbraw/zinc/02/38/55/608023855.db2.gz JWTMNOZTWRCOMG-QGZVFWFLSA-N -1 3 365.462 3.150 20 0 FGADHM Brc1cc(-c2nn[n-]n2)ccc1N1CCC[C@H]1c1cccnc1 ZINC000823826840 608046925 /nfs/dbraw/zinc/04/69/25/608046925.db2.gz PPNMKYGENGTZQI-AWEZNQCLSA-N -1 3 371.242 3.366 20 0 FGADHM Cc1ccc([C@H](O)CNc2ccc(-c3nn[n-]n3)cc2Br)cc1 ZINC000826284370 608048116 /nfs/dbraw/zinc/04/81/16/608048116.db2.gz RTMQYYDMFONEQE-OAHLLOKOSA-N -1 3 374.242 3.083 20 0 FGADHM O[C@@H](CCNc1ccc(-c2nn[n-]n2)cc1Br)c1ccccc1 ZINC000826502896 608051007 /nfs/dbraw/zinc/05/10/07/608051007.db2.gz MEINLEXVXCIMME-HNNXBMFYSA-N -1 3 374.242 3.165 20 0 FGADHM Fc1cccc(Cl)c1CN1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826377537 608070418 /nfs/dbraw/zinc/07/04/18/608070418.db2.gz WJGBUHBFMUJGBU-QGZVFWFLSA-N -1 3 373.819 3.233 20 0 FGADHM Fc1cccc(Cl)c1CN1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826377537 608070419 /nfs/dbraw/zinc/07/04/19/608070419.db2.gz WJGBUHBFMUJGBU-QGZVFWFLSA-N -1 3 373.819 3.233 20 0 FGADHM Cc1ccc(Br)c(NC(=O)c2sccc2-c2nnn[n-]2)c1 ZINC000826281406 608072902 /nfs/dbraw/zinc/07/29/02/608072902.db2.gz PZRXLBOELMMPII-UHFFFAOYSA-N -1 3 364.228 3.251 20 0 FGADHM Cc1ccc(Br)c(NC(=O)c2sccc2-c2nn[n-]n2)c1 ZINC000826281406 608072903 /nfs/dbraw/zinc/07/29/03/608072903.db2.gz PZRXLBOELMMPII-UHFFFAOYSA-N -1 3 364.228 3.251 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)c1cccc([C@@H]2CCOC2)c1 ZINC000826254335 608072932 /nfs/dbraw/zinc/07/29/32/608072932.db2.gz GWDMLRUHHZVIJA-GOSISDBHSA-N -1 3 364.405 3.036 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)c1cccc([C@@H]2CCOC2)c1 ZINC000826254335 608072933 /nfs/dbraw/zinc/07/29/33/608072933.db2.gz GWDMLRUHHZVIJA-GOSISDBHSA-N -1 3 364.405 3.036 20 0 FGADHM C[C@H](CC(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1)CC(C)(C)C ZINC000824385343 608085185 /nfs/dbraw/zinc/08/51/85/608085185.db2.gz QVCISLHNYNPIGJ-RHSMWYFYSA-N -1 3 371.485 3.229 20 0 FGADHM C[C@H](CC(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1)CC(C)(C)C ZINC000824385343 608085186 /nfs/dbraw/zinc/08/51/86/608085186.db2.gz QVCISLHNYNPIGJ-RHSMWYFYSA-N -1 3 371.485 3.229 20 0 FGADHM Clc1cc(N[C@@H]2CC[C@H]3SCCS[C@H]23)ccc1-c1nnn[n-]1 ZINC000826350636 608098833 /nfs/dbraw/zinc/09/88/33/608098833.db2.gz FMLMYJLCXWKCPL-JHJVBQTASA-N -1 3 353.904 3.312 20 0 FGADHM Clc1cc(N[C@@H]2CC[C@H]3SCCS[C@H]23)ccc1-c1nn[n-]n1 ZINC000826350636 608098834 /nfs/dbraw/zinc/09/88/34/608098834.db2.gz FMLMYJLCXWKCPL-JHJVBQTASA-N -1 3 353.904 3.312 20 0 FGADHM CC(C)c1ccc2c(c1)[C@@H](NC(=O)c1ccc(-c3nnn[n-]3)cn1)CCC2 ZINC000824347586 608102249 /nfs/dbraw/zinc/10/22/49/608102249.db2.gz FTRYNRDSKGBCBU-KRWDZBQOSA-N -1 3 362.437 3.193 20 0 FGADHM CC(C)c1ccc2c(c1)[C@@H](NC(=O)c1ccc(-c3nn[n-]n3)cn1)CCC2 ZINC000824347586 608102250 /nfs/dbraw/zinc/10/22/50/608102250.db2.gz FTRYNRDSKGBCBU-KRWDZBQOSA-N -1 3 362.437 3.193 20 0 FGADHM C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000824969379 608102700 /nfs/dbraw/zinc/10/27/00/608102700.db2.gz SZZDLIIMOCQKGS-JLTOFOAXSA-N -1 3 361.449 3.239 20 0 FGADHM C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000824969379 608102701 /nfs/dbraw/zinc/10/27/01/608102701.db2.gz SZZDLIIMOCQKGS-JLTOFOAXSA-N -1 3 361.449 3.239 20 0 FGADHM O=C(NC1(c2ccc(F)cc2F)CCC1)c1sccc1-c1nnn[n-]1 ZINC000826427252 608102757 /nfs/dbraw/zinc/10/27/57/608102757.db2.gz KQHKHYBPMVCJHF-UHFFFAOYSA-N -1 3 361.377 3.016 20 0 FGADHM O=C(NC1(c2ccc(F)cc2F)CCC1)c1sccc1-c1nn[n-]n1 ZINC000826427252 608102758 /nfs/dbraw/zinc/10/27/58/608102758.db2.gz KQHKHYBPMVCJHF-UHFFFAOYSA-N -1 3 361.377 3.016 20 0 FGADHM CCC[C@H](C(=O)Nc1ccc(NC(=O)OCC)c(-c2nnn[n-]2)c1)C(C)C ZINC000825225796 608114545 /nfs/dbraw/zinc/11/45/45/608114545.db2.gz XQXFUYIYGVTAKC-ZDUSSCGKSA-N -1 3 374.445 3.446 20 0 FGADHM CCC[C@H](C(=O)Nc1ccc(NC(=O)OCC)c(-c2nn[n-]n2)c1)C(C)C ZINC000825225796 608114546 /nfs/dbraw/zinc/11/45/46/608114546.db2.gz XQXFUYIYGVTAKC-ZDUSSCGKSA-N -1 3 374.445 3.446 20 0 FGADHM CC(=O)CCCCCCC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000823968060 608115308 /nfs/dbraw/zinc/11/53/08/608115308.db2.gz UPFQDHCYHZAOPB-UHFFFAOYSA-N -1 3 369.469 3.287 20 0 FGADHM CC(=O)CCCCCCC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000823968060 608115309 /nfs/dbraw/zinc/11/53/09/608115309.db2.gz UPFQDHCYHZAOPB-UHFFFAOYSA-N -1 3 369.469 3.287 20 0 FGADHM Cc1cc(C)cc([C@@H]2CCN(C(=O)c3sccc3-c3nnn[n-]3)C2)c1 ZINC000826264256 608131556 /nfs/dbraw/zinc/13/15/56/608131556.db2.gz HRSITBMWGXQFKM-CYBMUJFWSA-N -1 3 353.451 3.175 20 0 FGADHM Cc1cc(C)cc([C@@H]2CCN(C(=O)c3sccc3-c3nn[n-]n3)C2)c1 ZINC000826264256 608131557 /nfs/dbraw/zinc/13/15/57/608131557.db2.gz HRSITBMWGXQFKM-CYBMUJFWSA-N -1 3 353.451 3.175 20 0 FGADHM Cc1ccncc1[C@@H](C)NC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000826314825 608157912 /nfs/dbraw/zinc/15/79/12/608157912.db2.gz NWLDTJJMHGGUBB-GFCCVEGCSA-N -1 3 368.445 3.009 20 0 FGADHM Cc1ccncc1[C@@H](C)NC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000826314825 608157914 /nfs/dbraw/zinc/15/79/14/608157914.db2.gz NWLDTJJMHGGUBB-GFCCVEGCSA-N -1 3 368.445 3.009 20 0 FGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)O[C@H]1CCOc2ccccc21 ZINC000826421142 608166995 /nfs/dbraw/zinc/16/69/95/608166995.db2.gz UHAIHEGWOARRBN-INIZCTEOSA-N -1 3 368.418 3.026 20 0 FGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)O[C@H]1CCOc2ccccc21 ZINC000826421142 608166998 /nfs/dbraw/zinc/16/69/98/608166998.db2.gz UHAIHEGWOARRBN-INIZCTEOSA-N -1 3 368.418 3.026 20 0 FGADHM CCC[C@H](C(=O)Nc1nc2cc(-c3nnn[n-]3)ccc2n1CC)C(C)C ZINC000825226082 608176937 /nfs/dbraw/zinc/17/69/37/608176937.db2.gz YLRBKCTUEUURFK-ZDUSSCGKSA-N -1 3 355.446 3.247 20 0 FGADHM CCC[C@H](C(=O)Nc1nc2cc(-c3nn[n-]n3)ccc2n1CC)C(C)C ZINC000825226082 608176938 /nfs/dbraw/zinc/17/69/38/608176938.db2.gz YLRBKCTUEUURFK-ZDUSSCGKSA-N -1 3 355.446 3.247 20 0 FGADHM C[C@H](OC(=O)c1cc(=O)[nH]c2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000824721636 608183705 /nfs/dbraw/zinc/18/37/05/608183705.db2.gz CKWLGWPRQRYZER-NSHDSACASA-N -1 3 361.361 3.039 20 0 FGADHM C[C@H](OC(=O)c1cc(=O)[nH]c2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000824721636 608183706 /nfs/dbraw/zinc/18/37/06/608183706.db2.gz CKWLGWPRQRYZER-NSHDSACASA-N -1 3 361.361 3.039 20 0 FGADHM Fc1ccc2c(c1)[C@H](Nc1ccc3cc(-c4nnn[n-]4)ccc3n1)CCO2 ZINC000826376102 608227186 /nfs/dbraw/zinc/22/71/86/608227186.db2.gz OVGNPAIIFJATNV-MRXNPFEDSA-N -1 3 362.368 3.490 20 0 FGADHM Fc1ccc2c(c1)[C@H](Nc1ccc3cc(-c4nn[n-]n4)ccc3n1)CCO2 ZINC000826376102 608227188 /nfs/dbraw/zinc/22/71/88/608227188.db2.gz OVGNPAIIFJATNV-MRXNPFEDSA-N -1 3 362.368 3.490 20 0 FGADHM O[C@]1(CNc2ccc3cc(-c4nnn[n-]4)ccc3n2)CCCc2ccccc21 ZINC000826505971 608227248 /nfs/dbraw/zinc/22/72/48/608227248.db2.gz JQCIUWOYAJRUHQ-NRFANRHFSA-N -1 3 372.432 3.051 20 0 FGADHM O[C@]1(CNc2ccc3cc(-c4nn[n-]n4)ccc3n2)CCCc2ccccc21 ZINC000826505971 608227250 /nfs/dbraw/zinc/22/72/50/608227250.db2.gz JQCIUWOYAJRUHQ-NRFANRHFSA-N -1 3 372.432 3.051 20 0 FGADHM O=C(c1ccc(Cl)c(F)c1)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000826473083 608229480 /nfs/dbraw/zinc/22/94/80/608229480.db2.gz JWXBHVXKAGVOGG-UHFFFAOYSA-N -1 3 371.803 3.464 20 0 FGADHM O=C(c1ccc(Cl)c(F)c1)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000826473083 608229482 /nfs/dbraw/zinc/22/94/82/608229482.db2.gz JWXBHVXKAGVOGG-UHFFFAOYSA-N -1 3 371.803 3.464 20 0 FGADHM Cc1ccccc1[C@H]1CN(c2ccc3cc(-c4nnn[n-]4)ccc3n2)CCO1 ZINC000826306601 608230614 /nfs/dbraw/zinc/23/06/14/608230614.db2.gz FIOZDYJOKKZUKI-LJQANCHMSA-N -1 3 372.432 3.301 20 0 FGADHM Cc1ccccc1[C@H]1CN(c2ccc3cc(-c4nn[n-]n4)ccc3n2)CCO1 ZINC000826306601 608230617 /nfs/dbraw/zinc/23/06/17/608230617.db2.gz FIOZDYJOKKZUKI-LJQANCHMSA-N -1 3 372.432 3.301 20 0 FGADHM CC(C)[C@@H]1OCCC[C@@H]1CNc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000824230064 608231456 /nfs/dbraw/zinc/23/14/56/608231456.db2.gz ZACCSEICBDBAAA-QAPCUYQASA-N -1 3 352.442 3.278 20 0 FGADHM CC(C)[C@@H]1OCCC[C@@H]1CNc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000824230064 608231458 /nfs/dbraw/zinc/23/14/58/608231458.db2.gz ZACCSEICBDBAAA-QAPCUYQASA-N -1 3 352.442 3.278 20 0 FGADHM Fc1cc(OCc2ccc(Oc3ccccc3)nn2)ccc1-c1nnn[n-]1 ZINC000826372564 608231553 /nfs/dbraw/zinc/23/15/53/608231553.db2.gz CKOAXNFSZLPIFC-UHFFFAOYSA-N -1 3 364.340 3.167 20 0 FGADHM Fc1cc(OCc2ccc(Oc3ccccc3)nn2)ccc1-c1nn[n-]n1 ZINC000826372564 608231555 /nfs/dbraw/zinc/23/15/55/608231555.db2.gz CKOAXNFSZLPIFC-UHFFFAOYSA-N -1 3 364.340 3.167 20 0 FGADHM c1cc2nc(N[C@@H]3CCOC4(CCCC4)C3)ccc2cc1-c1nnn[n-]1 ZINC000826518727 608233931 /nfs/dbraw/zinc/23/39/31/608233931.db2.gz WDRUGZVQMNLKGQ-OAHLLOKOSA-N -1 3 350.426 3.319 20 0 FGADHM c1cc2nc(N[C@@H]3CCOC4(CCCC4)C3)ccc2cc1-c1nn[n-]n1 ZINC000826518727 608233933 /nfs/dbraw/zinc/23/39/33/608233933.db2.gz WDRUGZVQMNLKGQ-OAHLLOKOSA-N -1 3 350.426 3.319 20 0 FGADHM C[C@@H](C[C@H](O)c1cccs1)Nc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000824392488 608234693 /nfs/dbraw/zinc/23/46/93/608234693.db2.gz OOYMOIVSUAFXMC-NHYWBVRUSA-N -1 3 366.450 3.401 20 0 FGADHM C[C@@H](C[C@H](O)c1cccs1)Nc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000824392488 608234694 /nfs/dbraw/zinc/23/46/94/608234694.db2.gz OOYMOIVSUAFXMC-NHYWBVRUSA-N -1 3 366.450 3.401 20 0 FGADHM c1cc2nc(N[C@@H]3CC[C@H]4SCCS[C@@H]34)ccc2cc1-c1nnn[n-]1 ZINC000826518527 608235391 /nfs/dbraw/zinc/23/53/91/608235391.db2.gz QOSIYTVGDJUOFU-FMKPAKJESA-N -1 3 370.507 3.206 20 0 FGADHM c1cc2nc(N[C@@H]3CC[C@H]4SCCS[C@@H]34)ccc2cc1-c1nn[n-]n1 ZINC000826518527 608235392 /nfs/dbraw/zinc/23/53/92/608235392.db2.gz QOSIYTVGDJUOFU-FMKPAKJESA-N -1 3 370.507 3.206 20 0 FGADHM CC[C@@H]1CC[C@@H](C)N1C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000825192313 608245777 /nfs/dbraw/zinc/24/57/77/608245777.db2.gz GHZPWRKRTIQNOM-GDBMZVCRSA-N -1 3 357.458 3.205 20 0 FGADHM CC[C@@H]1CC[C@@H](C)N1C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000825192313 608245778 /nfs/dbraw/zinc/24/57/78/608245778.db2.gz GHZPWRKRTIQNOM-GDBMZVCRSA-N -1 3 357.458 3.205 20 0 FGADHM Cc1cccc(C)c1[C@H](C)OC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000826297184 608249043 /nfs/dbraw/zinc/24/90/43/608249043.db2.gz YGSUUNOSINIDRY-AWEZNQCLSA-N -1 3 352.394 3.167 20 0 FGADHM Cc1cccc(C)c1[C@H](C)OC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000826297184 608249045 /nfs/dbraw/zinc/24/90/45/608249045.db2.gz YGSUUNOSINIDRY-AWEZNQCLSA-N -1 3 352.394 3.167 20 0 FGADHM FC(F)Oc1cc(-c2nnn[n-]2)ccc1CN(Cc1ccncc1)C1CC1 ZINC000826369941 608260660 /nfs/dbraw/zinc/26/06/60/608260660.db2.gz WGQNVYMFYTWOGT-UHFFFAOYSA-N -1 3 372.379 3.028 20 0 FGADHM FC(F)Oc1cc(-c2nn[n-]n2)ccc1CN(Cc1ccncc1)C1CC1 ZINC000826369941 608260662 /nfs/dbraw/zinc/26/06/62/608260662.db2.gz WGQNVYMFYTWOGT-UHFFFAOYSA-N -1 3 372.379 3.028 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1CSc1nnc(-c2cccs2)o1 ZINC000826173640 608261137 /nfs/dbraw/zinc/26/11/37/608261137.db2.gz NRMNJSYLAAVEFJ-UHFFFAOYSA-N -1 3 372.435 3.279 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1CSc1nnc(-c2cccs2)o1 ZINC000826173640 608261139 /nfs/dbraw/zinc/26/11/39/608261139.db2.gz NRMNJSYLAAVEFJ-UHFFFAOYSA-N -1 3 372.435 3.279 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1CSc1nnc(-c2ccccc2)o1 ZINC000826173508 608261400 /nfs/dbraw/zinc/26/14/00/608261400.db2.gz HKXNBPVVHCJKLH-UHFFFAOYSA-N -1 3 366.406 3.218 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1CSc1nnc(-c2ccccc2)o1 ZINC000826173508 608261401 /nfs/dbraw/zinc/26/14/01/608261401.db2.gz HKXNBPVVHCJKLH-UHFFFAOYSA-N -1 3 366.406 3.218 20 0 FGADHM Cc1nc([C@@H]2CCCN(c3nc(C)ccc3-c3nnn[n-]3)C2)sc1C ZINC000826274256 608279885 /nfs/dbraw/zinc/27/98/85/608279885.db2.gz LFZMSBUZKDBUAM-CYBMUJFWSA-N -1 3 355.471 3.027 20 0 FGADHM Cc1nc([C@@H]2CCCN(c3nc(C)ccc3-c3nn[n-]n3)C2)sc1C ZINC000826274256 608279886 /nfs/dbraw/zinc/27/98/86/608279886.db2.gz LFZMSBUZKDBUAM-CYBMUJFWSA-N -1 3 355.471 3.027 20 0 FGADHM CCOc1ccc(CNc2nc3c(cc2-c2nnn[n-]2)CCCC3)cc1F ZINC000825638447 608284163 /nfs/dbraw/zinc/28/41/63/608284163.db2.gz LKDBHAUGKUCHLC-UHFFFAOYSA-N -1 3 368.416 3.290 20 0 FGADHM CCOc1ccc(CNc2nc3c(cc2-c2nn[n-]n2)CCCC3)cc1F ZINC000825638447 608284165 /nfs/dbraw/zinc/28/41/65/608284165.db2.gz LKDBHAUGKUCHLC-UHFFFAOYSA-N -1 3 368.416 3.290 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)c(N[C@@H]2CCCN(c3ccc(F)cc3C)C2)n1 ZINC000826275033 608288436 /nfs/dbraw/zinc/28/84/36/608288436.db2.gz MCAOEKMEKUYKNI-OAHLLOKOSA-N -1 3 367.432 3.099 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)c(N[C@@H]2CCCN(c3ccc(F)cc3C)C2)n1 ZINC000826275033 608288437 /nfs/dbraw/zinc/28/84/37/608288437.db2.gz MCAOEKMEKUYKNI-OAHLLOKOSA-N -1 3 367.432 3.099 20 0 FGADHM COCC1(C)CCN(c2c(-c3nnn[n-]3)cnc3c(C)cc(C)cc32)CC1 ZINC000826152533 608297606 /nfs/dbraw/zinc/29/76/06/608297606.db2.gz CPVFLIQUGFCUCH-UHFFFAOYSA-N -1 3 366.469 3.285 20 0 FGADHM COCC1(C)CCN(c2c(-c3nn[n-]n3)cnc3c(C)cc(C)cc32)CC1 ZINC000826152533 608297608 /nfs/dbraw/zinc/29/76/08/608297608.db2.gz CPVFLIQUGFCUCH-UHFFFAOYSA-N -1 3 366.469 3.285 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1CNc1ccc(-c2nccc(C)n2)cc1 ZINC000826170926 608321611 /nfs/dbraw/zinc/32/16/11/608321611.db2.gz VMIBHZBRQIEQMB-UHFFFAOYSA-N -1 3 373.420 3.253 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1CNc1ccc(-c2nccc(C)n2)cc1 ZINC000826170926 608321612 /nfs/dbraw/zinc/32/16/12/608321612.db2.gz VMIBHZBRQIEQMB-UHFFFAOYSA-N -1 3 373.420 3.253 20 0 FGADHM Cc1scc(C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c1C ZINC000826350226 608322121 /nfs/dbraw/zinc/32/21/21/608322121.db2.gz MXJSEXICBCVHMD-UHFFFAOYSA-N -1 3 365.462 3.475 20 0 FGADHM Cc1scc(C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c1C ZINC000826350226 608322123 /nfs/dbraw/zinc/32/21/23/608322123.db2.gz MXJSEXICBCVHMD-UHFFFAOYSA-N -1 3 365.462 3.475 20 0 FGADHM CC1(C)c2ccccc2CCN1C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000824818638 608336746 /nfs/dbraw/zinc/33/67/46/608336746.db2.gz UWLMKKYZBPQARX-QXMHVHEDSA-N -1 3 359.433 3.200 20 0 FGADHM CC1(C)c2ccccc2CCN1C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000824818638 608336747 /nfs/dbraw/zinc/33/67/47/608336747.db2.gz UWLMKKYZBPQARX-QXMHVHEDSA-N -1 3 359.433 3.200 20 0 FGADHM CCN(C(=O)c1nc(C)sc1C)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825390456 608344198 /nfs/dbraw/zinc/34/41/98/608344198.db2.gz FRDZVUWAUXAADE-UHFFFAOYSA-N -1 3 362.846 3.260 20 0 FGADHM CCN(C(=O)c1nc(C)sc1C)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825390456 608344200 /nfs/dbraw/zinc/34/42/00/608344200.db2.gz FRDZVUWAUXAADE-UHFFFAOYSA-N -1 3 362.846 3.260 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)c1cc(F)cc(Cl)c1 ZINC000826172323 608364226 /nfs/dbraw/zinc/36/42/26/608364226.db2.gz ZJCYTJCTDCFJBK-UHFFFAOYSA-N -1 3 362.748 3.025 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)c1cc(F)cc(Cl)c1 ZINC000826172323 608364227 /nfs/dbraw/zinc/36/42/27/608364227.db2.gz ZJCYTJCTDCFJBK-UHFFFAOYSA-N -1 3 362.748 3.025 20 0 FGADHM FC(F)(F)c1cc(NCCCNc2ccccn2)ccc1-c1nnn[n-]1 ZINC000826368511 608369654 /nfs/dbraw/zinc/36/96/54/608369654.db2.gz RWBPKAPBLHSJBL-UHFFFAOYSA-N -1 3 363.347 3.195 20 0 FGADHM FC(F)(F)c1cc(NCCCNc2ccccn2)ccc1-c1nn[n-]n1 ZINC000826368511 608369656 /nfs/dbraw/zinc/36/96/56/608369656.db2.gz RWBPKAPBLHSJBL-UHFFFAOYSA-N -1 3 363.347 3.195 20 0 FGADHM CC(C)Cn1ncc(NC(=O)c2sccc2-c2nnn[n-]2)c1C(C)C ZINC000824284868 608382898 /nfs/dbraw/zinc/38/28/98/608382898.db2.gz QDIWUCOEXKYJCO-UHFFFAOYSA-N -1 3 359.459 3.156 20 0 FGADHM CC(C)Cn1ncc(NC(=O)c2sccc2-c2nn[n-]n2)c1C(C)C ZINC000824284868 608382900 /nfs/dbraw/zinc/38/29/00/608382900.db2.gz QDIWUCOEXKYJCO-UHFFFAOYSA-N -1 3 359.459 3.156 20 0 FGADHM Fc1c(CSCc2cn(-c3ccccc3)nn2)cccc1-c1nnn[n-]1 ZINC000826371081 608404634 /nfs/dbraw/zinc/40/46/34/608404634.db2.gz RHQBLLABCGFHOE-UHFFFAOYSA-N -1 3 367.413 3.020 20 0 FGADHM Fc1c(CSCc2cn(-c3ccccc3)nn2)cccc1-c1nn[n-]n1 ZINC000826371081 608404637 /nfs/dbraw/zinc/40/46/37/608404637.db2.gz RHQBLLABCGFHOE-UHFFFAOYSA-N -1 3 367.413 3.020 20 0 FGADHM Cc1ccc([C@H](C)NCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)cc1 ZINC000826283670 608431491 /nfs/dbraw/zinc/43/14/91/608431491.db2.gz XDXPENRIUAQUKZ-ZDUSSCGKSA-N -1 3 361.409 3.076 20 0 FGADHM Cc1ccc([C@H](C)NCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)cc1 ZINC000826283670 608431492 /nfs/dbraw/zinc/43/14/92/608431492.db2.gz XDXPENRIUAQUKZ-ZDUSSCGKSA-N -1 3 361.409 3.076 20 0 FGADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H](C)c1ccccc1Cl ZINC000824739484 608433647 /nfs/dbraw/zinc/43/36/47/608433647.db2.gz XVRRKGKLWYKRQV-NWDGAFQWSA-N -1 3 371.828 3.165 20 0 FGADHM CC(C)c1ccc(OCC(=O)OCc2cccc(-c3nnn[n-]3)c2F)cc1 ZINC000824347759 608439447 /nfs/dbraw/zinc/43/94/47/608439447.db2.gz MVDOYBNTODKICT-UHFFFAOYSA-N -1 3 370.384 3.251 20 0 FGADHM CC(C)c1ccc(OCC(=O)OCc2cccc(-c3nn[n-]n3)c2F)cc1 ZINC000824347759 608439448 /nfs/dbraw/zinc/43/94/48/608439448.db2.gz MVDOYBNTODKICT-UHFFFAOYSA-N -1 3 370.384 3.251 20 0 FGADHM CC(C)(C(=O)OCc1cccc(-c2nnn[n-]2)c1F)c1cccc(F)c1 ZINC000824064167 608447457 /nfs/dbraw/zinc/44/74/57/608447457.db2.gz ACDTYYVKPQZNAJ-UHFFFAOYSA-N -1 3 358.348 3.166 20 0 FGADHM CC(C)(C(=O)OCc1cccc(-c2nn[n-]n2)c1F)c1cccc(F)c1 ZINC000824064167 608447459 /nfs/dbraw/zinc/44/74/59/608447459.db2.gz ACDTYYVKPQZNAJ-UHFFFAOYSA-N -1 3 358.348 3.166 20 0 FGADHM CC(=CC(=O)OCc1cccc(-c2nnn[n-]2)c1F)c1cccc(F)c1 ZINC000823942960 608447613 /nfs/dbraw/zinc/44/76/13/608447613.db2.gz LWAKQFWWXPQBFI-FLIBITNWSA-N -1 3 356.332 3.292 20 0 FGADHM CC(=CC(=O)OCc1cccc(-c2nn[n-]n2)c1F)c1cccc(F)c1 ZINC000823942960 608447615 /nfs/dbraw/zinc/44/76/15/608447615.db2.gz LWAKQFWWXPQBFI-FLIBITNWSA-N -1 3 356.332 3.292 20 0 FGADHM C[C@H](Cc1ccccc1F)C(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000824457569 608447809 /nfs/dbraw/zinc/44/78/09/608447809.db2.gz PZJDHSMISIPKPT-LLVKDONJSA-N -1 3 358.348 3.067 20 0 FGADHM C[C@H](Cc1ccccc1F)C(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000824457569 608447811 /nfs/dbraw/zinc/44/78/11/608447811.db2.gz PZJDHSMISIPKPT-LLVKDONJSA-N -1 3 358.348 3.067 20 0 FGADHM C[C@H](NCc1ccn(-c2ccc(F)cc2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824624780 608463914 /nfs/dbraw/zinc/46/39/14/608463914.db2.gz CEPHJXIBQJXQMR-ZDUSSCGKSA-N -1 3 363.400 3.042 20 0 FGADHM O=C(c1cccc2cc[nH]c21)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826474669 608479497 /nfs/dbraw/zinc/47/94/97/608479497.db2.gz ZNJTXHFLTDPNJR-UHFFFAOYSA-N -1 3 370.416 3.278 20 0 FGADHM O=C(c1cccc2cc[nH]c21)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826474669 608479498 /nfs/dbraw/zinc/47/94/98/608479498.db2.gz ZNJTXHFLTDPNJR-UHFFFAOYSA-N -1 3 370.416 3.278 20 0 FGADHM O=C(C=Cc1cccs1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826403591 608485510 /nfs/dbraw/zinc/48/55/10/608485510.db2.gz WWFWBQYILWSGNX-FPLPWBNLSA-N -1 3 363.446 3.257 20 0 FGADHM O=C(C=Cc1cccs1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826403591 608485511 /nfs/dbraw/zinc/48/55/11/608485511.db2.gz WWFWBQYILWSGNX-FPLPWBNLSA-N -1 3 363.446 3.257 20 0 FGADHM COc1ccc(OC)c(CN(Cc2ccc(-c3nnn[n-]3)s2)C2CC2)c1 ZINC000826211122 608528409 /nfs/dbraw/zinc/52/84/09/608528409.db2.gz PXJLJHXLGDAXHO-UHFFFAOYSA-N -1 3 371.466 3.110 20 0 FGADHM COc1ccc(OC)c(CN(Cc2ccc(-c3nn[n-]n3)s2)C2CC2)c1 ZINC000826211122 608528410 /nfs/dbraw/zinc/52/84/10/608528410.db2.gz PXJLJHXLGDAXHO-UHFFFAOYSA-N -1 3 371.466 3.110 20 0 FGADHM CCc1ccnc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CC[C@@H](C)C3)c1 ZINC000825728583 608540019 /nfs/dbraw/zinc/54/00/19/608540019.db2.gz QQPVUZVPKNQTFY-SNVBAGLBSA-N -1 3 368.466 3.263 20 0 FGADHM CCc1ccnc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CC[C@@H](C)C3)c1 ZINC000825728583 608540021 /nfs/dbraw/zinc/54/00/21/608540021.db2.gz QQPVUZVPKNQTFY-SNVBAGLBSA-N -1 3 368.466 3.263 20 0 FGADHM Cc1ccccc1-c1cc(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)n[nH]1 ZINC000826305110 608560814 /nfs/dbraw/zinc/56/08/14/608560814.db2.gz KZVDEDUCEJZJJZ-KHPPLWFESA-N -1 3 371.404 3.217 20 0 FGADHM Cc1ccccc1-c1cc(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)n[nH]1 ZINC000826305110 608560815 /nfs/dbraw/zinc/56/08/15/608560815.db2.gz KZVDEDUCEJZJJZ-KHPPLWFESA-N -1 3 371.404 3.217 20 0 FGADHM C[C@H](NC(=O)c1ncc(-c2nnn[n-]2)cc1Cl)c1ccccc1Cl ZINC000820402839 608568392 /nfs/dbraw/zinc/56/83/92/608568392.db2.gz GIDVZBLLRMFJME-QMMMGPOBSA-N -1 3 363.208 3.060 20 0 FGADHM C[C@H](NC(=O)c1ncc(-c2nn[n-]n2)cc1Cl)c1ccccc1Cl ZINC000820402839 608568393 /nfs/dbraw/zinc/56/83/93/608568393.db2.gz GIDVZBLLRMFJME-QMMMGPOBSA-N -1 3 363.208 3.060 20 0 FGADHM CC[C@H](CSC)NC(=O)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000825128211 608568445 /nfs/dbraw/zinc/56/84/45/608568445.db2.gz RVYVPAFKVIAKGR-MRVPVSSYSA-N -1 3 360.270 3.045 20 0 FGADHM CC[C@H](CSC)NC(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000825128211 608568447 /nfs/dbraw/zinc/56/84/47/608568447.db2.gz RVYVPAFKVIAKGR-MRVPVSSYSA-N -1 3 360.270 3.045 20 0 FGADHM CC(C)[C@@H](O)C1(CNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CC1 ZINC000824199628 608586284 /nfs/dbraw/zinc/58/62/84/608586284.db2.gz KKCWDDXGYGQSDU-CYBMUJFWSA-N -1 3 355.364 3.095 20 0 FGADHM CC(C)[C@@H](O)C1(CNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CC1 ZINC000824199628 608586286 /nfs/dbraw/zinc/58/62/86/608586286.db2.gz KKCWDDXGYGQSDU-CYBMUJFWSA-N -1 3 355.364 3.095 20 0 FGADHM CC(C)[C@@H](O)C1(CNc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)CC1 ZINC000824201034 608587263 /nfs/dbraw/zinc/58/72/63/608587263.db2.gz WYPJVDDMAVBOLY-CYBMUJFWSA-N -1 3 355.364 3.095 20 0 FGADHM CCOc1cccc([C@H]2C[C@@H]2Nc2nc3c(cc2-c2nnn[n-]2)CCC3)c1 ZINC000825649025 608589141 /nfs/dbraw/zinc/58/91/41/608589141.db2.gz JPPNMRSJJUBSBX-QAPCUYQASA-N -1 3 362.437 3.117 20 0 FGADHM CCOc1cccc([C@H]2C[C@@H]2Nc2nc3c(cc2-c2nn[n-]n2)CCC3)c1 ZINC000825649025 608589142 /nfs/dbraw/zinc/58/91/42/608589142.db2.gz JPPNMRSJJUBSBX-QAPCUYQASA-N -1 3 362.437 3.117 20 0 FGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)[C@H]1CCc2c1cccc2Cl ZINC000826441393 608589394 /nfs/dbraw/zinc/58/93/94/608589394.db2.gz BUYMGRTXTFJXOZ-AWEZNQCLSA-N -1 3 371.803 3.005 20 0 FGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)[C@H]1CCc2c1cccc2Cl ZINC000826441393 608589398 /nfs/dbraw/zinc/58/93/98/608589398.db2.gz BUYMGRTXTFJXOZ-AWEZNQCLSA-N -1 3 371.803 3.005 20 0 FGADHM C[C@H]1CN(Cc2cc(-c3nnn[n-]3)cs2)C[C@@H](c2ccc(F)cc2)O1 ZINC000824984530 608718486 /nfs/dbraw/zinc/71/84/86/608718486.db2.gz LABOQEQNAXKHKL-ZBEGNZNMSA-N -1 3 359.430 3.029 20 0 FGADHM C[C@H]1CN(Cc2cc(-c3nn[n-]n3)cs2)C[C@@H](c2ccc(F)cc2)O1 ZINC000824984530 608718487 /nfs/dbraw/zinc/71/84/87/608718487.db2.gz LABOQEQNAXKHKL-ZBEGNZNMSA-N -1 3 359.430 3.029 20 0 FGADHM CCO[C@H](C)c1nc(CN(C)Cc2cc(-c3nnn[n-]3)cs2)cs1 ZINC000825576557 608731663 /nfs/dbraw/zinc/73/16/63/608731663.db2.gz KGUKCRPLMLZEFF-SNVBAGLBSA-N -1 3 364.500 3.114 20 0 FGADHM CCO[C@H](C)c1nc(CN(C)Cc2cc(-c3nn[n-]n3)cs2)cs1 ZINC000825576557 608731666 /nfs/dbraw/zinc/73/16/66/608731666.db2.gz KGUKCRPLMLZEFF-SNVBAGLBSA-N -1 3 364.500 3.114 20 0 FGADHM CC(C)C[C@H](C)Oc1cc(CNc2cnccc2-c2nnn[n-]2)ccn1 ZINC000824228005 608783427 /nfs/dbraw/zinc/78/34/27/608783427.db2.gz CULZWLFFYLZONP-ZDUSSCGKSA-N -1 3 353.430 3.082 20 0 FGADHM CC(C)C[C@H](C)Oc1cc(CNc2cnccc2-c2nn[n-]n2)ccn1 ZINC000824228005 608783428 /nfs/dbraw/zinc/78/34/28/608783428.db2.gz CULZWLFFYLZONP-ZDUSSCGKSA-N -1 3 353.430 3.082 20 0 FGADHM Fc1cccc(F)c1-c1n[nH]cc1CNc1cccc(-c2nnn[n-]2)c1 ZINC000826377417 608871751 /nfs/dbraw/zinc/87/17/51/608871751.db2.gz RIQYYEHRUNNHGR-UHFFFAOYSA-N -1 3 353.336 3.147 20 0 FGADHM Fc1cccc(F)c1-c1n[nH]cc1CNc1cccc(-c2nn[n-]n2)c1 ZINC000826377417 608871754 /nfs/dbraw/zinc/87/17/54/608871754.db2.gz RIQYYEHRUNNHGR-UHFFFAOYSA-N -1 3 353.336 3.147 20 0 FGADHM Cn1c(CNc2cccc(-c3nnn[n-]3)c2)nc2cc(C(F)(F)F)ccc21 ZINC000826355017 608871985 /nfs/dbraw/zinc/87/19/85/608871985.db2.gz GWGVDWDXHLBVSD-UHFFFAOYSA-N -1 3 373.342 3.384 20 0 FGADHM Cn1c(CNc2cccc(-c3nn[n-]n3)c2)nc2cc(C(F)(F)F)ccc21 ZINC000826355017 608871987 /nfs/dbraw/zinc/87/19/87/608871987.db2.gz GWGVDWDXHLBVSD-UHFFFAOYSA-N -1 3 373.342 3.384 20 0 FGADHM CC(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)c(F)c1 ZINC000824019602 609157942 /nfs/dbraw/zinc/15/79/42/609157942.db2.gz HYRVNNWREJKSIE-UHFFFAOYSA-N -1 3 359.748 3.114 20 0 FGADHM CC(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)c(F)c1 ZINC000824019602 609157944 /nfs/dbraw/zinc/15/79/44/609157944.db2.gz HYRVNNWREJKSIE-UHFFFAOYSA-N -1 3 359.748 3.114 20 0 FGADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)c2cccnc2C)c1-c1nnn[n-]1 ZINC000826330158 609165233 /nfs/dbraw/zinc/16/52/33/609165233.db2.gz HUAZRRMQYUKPFL-UHFFFAOYSA-N -1 3 373.420 3.230 20 0 FGADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)c2cccnc2C)c1-c1nn[n-]n1 ZINC000826330158 609165235 /nfs/dbraw/zinc/16/52/35/609165235.db2.gz HUAZRRMQYUKPFL-UHFFFAOYSA-N -1 3 373.420 3.230 20 0 FGADHM CC(C)C[C@H]1C[C@@H](Nc2nc3ccccc3cc2-c2nnn[n-]2)CCO1 ZINC000824244438 609171001 /nfs/dbraw/zinc/17/10/01/609171001.db2.gz RIEFCPFHVONHHJ-GJZGRUSLSA-N -1 3 352.442 3.421 20 0 FGADHM CC(C)C[C@H]1C[C@@H](Nc2nc3ccccc3cc2-c2nn[n-]n2)CCO1 ZINC000824244438 609171003 /nfs/dbraw/zinc/17/10/03/609171003.db2.gz RIEFCPFHVONHHJ-GJZGRUSLSA-N -1 3 352.442 3.421 20 0 FGADHM C[C@H](Nc1ccc(CN2CCCC2=O)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824655108 609172075 /nfs/dbraw/zinc/17/20/75/609172075.db2.gz BGNYUOOFQFUABV-AWEZNQCLSA-N -1 3 362.437 3.162 20 0 FGADHM C[C@H](Nc1ccc(CN2CCCC2=O)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824655108 609172077 /nfs/dbraw/zinc/17/20/77/609172077.db2.gz BGNYUOOFQFUABV-AWEZNQCLSA-N -1 3 362.437 3.162 20 0 FGADHM C[C@@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1ccc(-c2ccccc2)cc1 ZINC000824507226 609191776 /nfs/dbraw/zinc/19/17/76/609191776.db2.gz VUIZZYUBBJECNJ-CYBMUJFWSA-N -1 3 358.405 3.353 20 0 FGADHM C[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccc(-c2ccccc2)cc1 ZINC000824507226 609191778 /nfs/dbraw/zinc/19/17/78/609191778.db2.gz VUIZZYUBBJECNJ-CYBMUJFWSA-N -1 3 358.405 3.353 20 0 FGADHM C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000824764888 609203483 /nfs/dbraw/zinc/20/34/83/609203483.db2.gz ZMPLFTDFZZDCIX-SECBINFHSA-N -1 3 364.331 3.047 20 0 FGADHM C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000824764888 609203484 /nfs/dbraw/zinc/20/34/84/609203484.db2.gz ZMPLFTDFZZDCIX-SECBINFHSA-N -1 3 364.331 3.047 20 0 FGADHM CC(C)CCOc1ccc([C@@H](C)NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)cc1 ZINC000824249207 609204825 /nfs/dbraw/zinc/20/48/25/609204825.db2.gz KPQRWWZYKVDSPJ-CYBMUJFWSA-N -1 3 368.441 3.111 20 0 FGADHM CC(C)CCOc1ccc([C@@H](C)NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)cc1 ZINC000824249207 609204827 /nfs/dbraw/zinc/20/48/27/609204827.db2.gz KPQRWWZYKVDSPJ-CYBMUJFWSA-N -1 3 368.441 3.111 20 0 FGADHM O=C(NCC1(c2ccccc2)CCCCCC1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826434129 609207672 /nfs/dbraw/zinc/20/76/72/609207672.db2.gz DCDHQEWNYSNGMI-UHFFFAOYSA-N -1 3 364.453 3.217 20 0 FGADHM O=C(NCC1(c2ccccc2)CCCCCC1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826434129 609207674 /nfs/dbraw/zinc/20/76/74/609207674.db2.gz DCDHQEWNYSNGMI-UHFFFAOYSA-N -1 3 364.453 3.217 20 0 FGADHM CCN(C(=O)c1cc(C)n([C@H](C)C2CC2)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825380548 609208605 /nfs/dbraw/zinc/20/86/05/609208605.db2.gz QOMUSYRTSBDEDK-CYBMUJFWSA-N -1 3 365.441 3.009 20 0 FGADHM CCN(C(=O)c1cc(C)n([C@H](C)C2CC2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825380548 609208606 /nfs/dbraw/zinc/20/86/06/609208606.db2.gz QOMUSYRTSBDEDK-CYBMUJFWSA-N -1 3 365.441 3.009 20 0 FGADHM Cc1ccc(Oc2ccccc2CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)cc1 ZINC000826292954 609209982 /nfs/dbraw/zinc/20/99/82/609209982.db2.gz UTIRNWSYHPMYLN-UHFFFAOYSA-N -1 3 374.404 3.226 20 0 FGADHM Cc1ccc(Oc2ccccc2CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)cc1 ZINC000826292954 609209984 /nfs/dbraw/zinc/20/99/84/609209984.db2.gz UTIRNWSYHPMYLN-UHFFFAOYSA-N -1 3 374.404 3.226 20 0 FGADHM CCOc1ccccc1[C@H](CC(C)C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000825653985 609219924 /nfs/dbraw/zinc/21/99/24/609219924.db2.gz MDTMCIAMAQKZGB-HNNXBMFYSA-N -1 3 368.441 3.111 20 0 FGADHM CCOc1ccccc1[C@H](CC(C)C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000825653985 609219926 /nfs/dbraw/zinc/21/99/26/609219926.db2.gz MDTMCIAMAQKZGB-HNNXBMFYSA-N -1 3 368.441 3.111 20 0 FGADHM CCCCCOc1cc(C)ccc1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000825275958 609223943 /nfs/dbraw/zinc/22/39/43/609223943.db2.gz JQLUNYVAHBFERY-UHFFFAOYSA-N -1 3 368.441 3.002 20 0 FGADHM CCCCCOc1cc(C)ccc1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000825275958 609223945 /nfs/dbraw/zinc/22/39/45/609223945.db2.gz JQLUNYVAHBFERY-UHFFFAOYSA-N -1 3 368.441 3.002 20 0 FGADHM CC(=O)c1ccc(C(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)c(F)c1 ZINC000824019497 609233505 /nfs/dbraw/zinc/23/35/05/609233505.db2.gz DFEVSEHDNAGOKX-UHFFFAOYSA-N -1 3 373.775 3.138 20 0 FGADHM CC(=O)c1ccc(C(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)c(F)c1 ZINC000824019497 609233504 /nfs/dbraw/zinc/23/35/04/609233504.db2.gz DFEVSEHDNAGOKX-UHFFFAOYSA-N -1 3 373.775 3.138 20 0 FGADHM CSc1ccccc1CC(=O)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000826231046 609244055 /nfs/dbraw/zinc/24/40/55/609244055.db2.gz UXEPXZDHFJGIFG-UHFFFAOYSA-N -1 3 358.398 3.014 20 0 FGADHM CSc1ccccc1CC(=O)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000826231046 609244056 /nfs/dbraw/zinc/24/40/56/609244056.db2.gz UXEPXZDHFJGIFG-UHFFFAOYSA-N -1 3 358.398 3.014 20 0 FGADHM C[C@H](Nc1ccc(N2CCCC2)nc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824658653 609251604 /nfs/dbraw/zinc/25/16/04/609251604.db2.gz ZPWWMLDWYUHNNC-LBPRGKRZSA-N -1 3 353.405 3.174 20 0 FGADHM C[C@H](Nc1ccc(N2CCCC2)nc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824658653 609251605 /nfs/dbraw/zinc/25/16/05/609251605.db2.gz ZPWWMLDWYUHNNC-LBPRGKRZSA-N -1 3 353.405 3.174 20 0 FGADHM C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000824908909 609264948 /nfs/dbraw/zinc/26/49/48/609264948.db2.gz ROHJAKSUUIOZLS-PSASIEDQSA-N -1 3 373.766 3.323 20 0 FGADHM C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000824908909 609264950 /nfs/dbraw/zinc/26/49/50/609264950.db2.gz ROHJAKSUUIOZLS-PSASIEDQSA-N -1 3 373.766 3.323 20 0 FGADHM Cc1ccc(C(=O)N(C)C)cc1N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826281032 609275587 /nfs/dbraw/zinc/27/55/87/609275587.db2.gz AGOUNSGXJJMLJA-ZDUSSCGKSA-N -1 3 350.426 3.050 20 0 FGADHM Cc1ccc(C(=O)N(C)C)cc1N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826281032 609275588 /nfs/dbraw/zinc/27/55/88/609275588.db2.gz AGOUNSGXJJMLJA-ZDUSSCGKSA-N -1 3 350.426 3.050 20 0 FGADHM CCOc1ccc(N[C@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)cc1CO ZINC000825643962 609276987 /nfs/dbraw/zinc/27/69/87/609276987.db2.gz YLSAABYVJRYVOL-LLVKDONJSA-N -1 3 357.389 3.070 20 0 FGADHM CCOc1ccc(N[C@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)cc1CO ZINC000825643962 609276989 /nfs/dbraw/zinc/27/69/89/609276989.db2.gz YLSAABYVJRYVOL-LLVKDONJSA-N -1 3 357.389 3.070 20 0 FGADHM CCOc1ccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)cc1CO ZINC000825643963 609277086 /nfs/dbraw/zinc/27/70/86/609277086.db2.gz YLSAABYVJRYVOL-NSHDSACASA-N -1 3 357.389 3.070 20 0 FGADHM CCOc1ccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)cc1CO ZINC000825643963 609277089 /nfs/dbraw/zinc/27/70/89/609277089.db2.gz YLSAABYVJRYVOL-NSHDSACASA-N -1 3 357.389 3.070 20 0 FGADHM C[C@@H](Nc1ccc(N2CCOC[C@H]2C)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824656113 609279297 /nfs/dbraw/zinc/27/92/97/609279297.db2.gz HNYTXBVFYYNTOI-HUUCEWRRSA-N -1 3 364.453 3.265 20 0 FGADHM C[C@@H](Nc1ccc(N2CCOC[C@H]2C)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824656113 609279299 /nfs/dbraw/zinc/27/92/99/609279299.db2.gz HNYTXBVFYYNTOI-HUUCEWRRSA-N -1 3 364.453 3.265 20 0 FGADHM CN1CCOc2ccc(N[C@@H]3CCCc4cc(-c5nnn[n-]5)ccc43)cc21 ZINC000826044630 609279869 /nfs/dbraw/zinc/27/98/69/609279869.db2.gz IKQKRFBQMFOMDJ-QGZVFWFLSA-N -1 3 362.437 3.185 20 0 FGADHM CN1CCOc2ccc(N[C@@H]3CCCc4cc(-c5nn[n-]n5)ccc43)cc21 ZINC000826044630 609279871 /nfs/dbraw/zinc/27/98/71/609279871.db2.gz IKQKRFBQMFOMDJ-QGZVFWFLSA-N -1 3 362.437 3.185 20 0 FGADHM Cc1nnc(SCc2ncc(-c3ccccc3)o2)c(-c2nnn[n-]2)c1C ZINC000826337619 609309118 /nfs/dbraw/zinc/30/91/18/609309118.db2.gz UXJYULXNGSYFGA-UHFFFAOYSA-N -1 3 365.422 3.221 20 0 FGADHM Cc1nnc(SCc2ncc(-c3ccccc3)o2)c(-c2nn[n-]n2)c1C ZINC000826337619 609309120 /nfs/dbraw/zinc/30/91/20/609309120.db2.gz UXJYULXNGSYFGA-UHFFFAOYSA-N -1 3 365.422 3.221 20 0 FGADHM CCC(CC)[C@H]1C[C@@H](NC(=S)Nc2ccccc2-c2nnn[n-]2)CCO1 ZINC000825106804 609310927 /nfs/dbraw/zinc/31/09/27/609310927.db2.gz IRZIPGMEESWOOP-XJKSGUPXSA-N -1 3 374.514 3.137 20 0 FGADHM CCC(CC)[C@H]1C[C@@H](NC(=S)Nc2ccccc2-c2nn[n-]n2)CCO1 ZINC000825106804 609310929 /nfs/dbraw/zinc/31/09/29/609310929.db2.gz IRZIPGMEESWOOP-XJKSGUPXSA-N -1 3 374.514 3.137 20 0 FGADHM CC=C(C=CC(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1)CC ZINC000825028042 609312374 /nfs/dbraw/zinc/31/23/74/609312374.db2.gz DLCOBEFAEWAWPK-MIFLFFNBSA-N -1 3 367.388 3.043 20 0 FGADHM FC(F)O[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2C(F)(F)F)C1 ZINC000826369407 609316903 /nfs/dbraw/zinc/31/69/03/609316903.db2.gz AZSANCVLZOSTJA-SECBINFHSA-N -1 3 363.290 3.094 20 0 FGADHM COc1cccc2[nH]cc(CCNc3c(F)cc(-c4nnn[n-]4)cc3F)c21 ZINC000826217422 609324523 /nfs/dbraw/zinc/32/45/23/609324523.db2.gz LNWCZBJVLKHNFM-UHFFFAOYSA-N -1 3 370.363 3.289 20 0 FGADHM COc1cccc2[nH]cc(CCNc3c(F)cc(-c4nn[n-]n4)cc3F)c21 ZINC000826217422 609324525 /nfs/dbraw/zinc/32/45/25/609324525.db2.gz LNWCZBJVLKHNFM-UHFFFAOYSA-N -1 3 370.363 3.289 20 0 FGADHM Brc1cc(-c2nnn[n-]2)ccc1CSC[C@H]1CCCCO1 ZINC000823820980 609328601 /nfs/dbraw/zinc/32/86/01/609328601.db2.gz NIPMUBBFEITUEO-GFCCVEGCSA-N -1 3 369.288 3.432 20 0 FGADHM Brc1cc(-c2nn[n-]n2)ccc1CSC[C@H]1CCCCO1 ZINC000823820980 609328603 /nfs/dbraw/zinc/32/86/03/609328603.db2.gz NIPMUBBFEITUEO-GFCCVEGCSA-N -1 3 369.288 3.432 20 0 FGADHM CC[C@H](C)n1nc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc1C ZINC000825081405 609330843 /nfs/dbraw/zinc/33/08/43/609330843.db2.gz ISBLTNAQAZAIAN-VIFPVBQESA-N -1 3 359.821 3.248 20 0 FGADHM CC[C@H](C)n1nc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc1C ZINC000825081405 609330844 /nfs/dbraw/zinc/33/08/44/609330844.db2.gz ISBLTNAQAZAIAN-VIFPVBQESA-N -1 3 359.821 3.248 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1CSCc1ccc2c(c1)COC2 ZINC000826173709 609332651 /nfs/dbraw/zinc/33/26/51/609332651.db2.gz QTTYWPDDPCIWEU-UHFFFAOYSA-N -1 3 354.435 3.339 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1CSCc1ccc2c(c1)COC2 ZINC000826173709 609332653 /nfs/dbraw/zinc/33/26/53/609332653.db2.gz QTTYWPDDPCIWEU-UHFFFAOYSA-N -1 3 354.435 3.339 20 0 FGADHM C[C@H](N[C@H]1COc2c1cccc2Cl)c1ccc(-c2nnn[n-]2)cc1F ZINC000824555533 609343741 /nfs/dbraw/zinc/34/37/41/609343741.db2.gz XENMHOKBWUTMNJ-VFZGTOFNSA-N -1 3 359.792 3.444 20 0 FGADHM C[C@H](N[C@H]1COc2c1cccc2Cl)c1ccc(-c2nn[n-]n2)cc1F ZINC000824555533 609343742 /nfs/dbraw/zinc/34/37/42/609343742.db2.gz XENMHOKBWUTMNJ-VFZGTOFNSA-N -1 3 359.792 3.444 20 0 FGADHM CCOCCCOC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000825594714 609351483 /nfs/dbraw/zinc/35/14/83/609351483.db2.gz OOTIGRYUPULIIP-UHFFFAOYSA-N -1 3 368.393 3.242 20 0 FGADHM CCOCCCOC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000825594714 609351485 /nfs/dbraw/zinc/35/14/85/609351485.db2.gz OOTIGRYUPULIIP-UHFFFAOYSA-N -1 3 368.393 3.242 20 0 FGADHM CC(C)(C)OC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000824114667 609381870 /nfs/dbraw/zinc/38/18/70/609381870.db2.gz ZVWCMIWUUKVGJZ-UHFFFAOYSA-N -1 3 352.394 3.401 20 0 FGADHM CC(C)[C@H]1C[C@H](CC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)CCO1 ZINC000824213891 609393667 /nfs/dbraw/zinc/39/36/67/609393667.db2.gz DGLQJYXPMSDMDW-IAQYHMDHSA-N -1 3 363.849 3.300 20 0 FGADHM CC(C)[C@H]1C[C@H](CC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)CCO1 ZINC000824213891 609393668 /nfs/dbraw/zinc/39/36/68/609393668.db2.gz DGLQJYXPMSDMDW-IAQYHMDHSA-N -1 3 363.849 3.300 20 0 FGADHM C[C@H]1CC[C@]2(CCN(C(=O)CSCc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC000824917226 609396651 /nfs/dbraw/zinc/39/66/51/609396651.db2.gz MRGQQRHASUJILO-LIRRHRJNSA-N -1 3 371.510 3.139 20 0 FGADHM C[C@H]1CC[C@]2(CCN(C(=O)CSCc3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC000824917226 609396653 /nfs/dbraw/zinc/39/66/53/609396653.db2.gz MRGQQRHASUJILO-LIRRHRJNSA-N -1 3 371.510 3.139 20 0 FGADHM CC(C)[C@H]1C[C@H](CC(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)CCO1 ZINC000824712676 609403226 /nfs/dbraw/zinc/40/32/26/609403226.db2.gz BLGXJYIUITYOGD-JJRVBVJISA-N -1 3 358.442 3.312 20 0 FGADHM CC(C)[C@H]1C[C@H](CC(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)CCO1 ZINC000824712676 609403228 /nfs/dbraw/zinc/40/32/28/609403228.db2.gz BLGXJYIUITYOGD-JJRVBVJISA-N -1 3 358.442 3.312 20 0 FGADHM C[C@H](NC(=O)N1CC[C@]2(CC[C@@H](C)C2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000824919052 609404028 /nfs/dbraw/zinc/40/40/28/609404028.db2.gz RMLJJDPEZMXRMD-TYILLQQXSA-N -1 3 354.458 3.149 20 0 FGADHM C[C@H](NC(=O)N1CC[C@]2(CC[C@@H](C)C2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000824919052 609404032 /nfs/dbraw/zinc/40/40/32/609404032.db2.gz RMLJJDPEZMXRMD-TYILLQQXSA-N -1 3 354.458 3.149 20 0 FGADHM Cc1cccc(N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)c1C ZINC000826299814 609406682 /nfs/dbraw/zinc/40/66/82/609406682.db2.gz WLFRISPZELKPFZ-SFHVURJKSA-N -1 3 362.437 3.091 20 0 FGADHM Cc1cccc(N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)c1C ZINC000826299814 609406683 /nfs/dbraw/zinc/40/66/83/609406683.db2.gz WLFRISPZELKPFZ-SFHVURJKSA-N -1 3 362.437 3.091 20 0 FGADHM CC(C)(C)Sc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)ccn1 ZINC000778688013 609418678 /nfs/dbraw/zinc/41/86/78/609418678.db2.gz HVSWXVJAHDFNGF-UHFFFAOYSA-N -1 3 354.439 3.405 20 0 FGADHM CC(C)(C)Sc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)ccn1 ZINC000778688013 609418681 /nfs/dbraw/zinc/41/86/81/609418681.db2.gz HVSWXVJAHDFNGF-UHFFFAOYSA-N -1 3 354.439 3.405 20 0 FGADHM CC(C)n1cnnc1C1CCN(c2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000824377665 609427115 /nfs/dbraw/zinc/42/71/15/609427115.db2.gz KPHGTBUCSFVHNX-UHFFFAOYSA-N -1 3 372.864 3.077 20 0 FGADHM CC(C)n1cnnc1C1CCN(c2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000824377665 609427118 /nfs/dbraw/zinc/42/71/18/609427118.db2.gz KPHGTBUCSFVHNX-UHFFFAOYSA-N -1 3 372.864 3.077 20 0 FGADHM Cc1c2ccccc2oc1C(=O)Nc1ncc2cc(-c3nnn[n-]3)ccc2n1 ZINC000826234525 609434942 /nfs/dbraw/zinc/43/49/42/609434942.db2.gz AQGVKFVZDZKHNL-UHFFFAOYSA-N -1 3 371.360 3.117 20 0 FGADHM Cc1c2ccccc2oc1C(=O)Nc1ncc2cc(-c3nn[n-]n3)ccc2n1 ZINC000826234525 609434945 /nfs/dbraw/zinc/43/49/45/609434945.db2.gz AQGVKFVZDZKHNL-UHFFFAOYSA-N -1 3 371.360 3.117 20 0 FGADHM CC(C)NC(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824305159 609441316 /nfs/dbraw/zinc/44/13/16/609441316.db2.gz MHAOULPQKKLHGE-ZDUSSCGKSA-N -1 3 350.426 3.302 20 0 FGADHM CC(C)NC(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824305159 609441318 /nfs/dbraw/zinc/44/13/18/609441318.db2.gz MHAOULPQKKLHGE-ZDUSSCGKSA-N -1 3 350.426 3.302 20 0 FGADHM O=C(Nc1ccccc1Oc1cccc(F)c1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826457605 609444978 /nfs/dbraw/zinc/44/49/78/609444978.db2.gz ITZOODVKMSUICA-UHFFFAOYSA-N -1 3 364.340 3.379 20 0 FGADHM O=C(Nc1ccccc1Oc1cccc(F)c1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826457605 609444982 /nfs/dbraw/zinc/44/49/82/609444982.db2.gz ITZOODVKMSUICA-UHFFFAOYSA-N -1 3 364.340 3.379 20 0 FGADHM Fc1ccccc1CNc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000826378750 609446680 /nfs/dbraw/zinc/44/66/80/609446680.db2.gz YTYKPVRNUWSDNC-UHFFFAOYSA-N -1 3 369.791 3.457 20 0 FGADHM Fc1ccccc1CNc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000826378750 609446683 /nfs/dbraw/zinc/44/66/83/609446683.db2.gz YTYKPVRNUWSDNC-UHFFFAOYSA-N -1 3 369.791 3.457 20 0 FGADHM Cc1cc(Cl)ccc1O[C@H](C)C(=O)OCc1cccc(-c2nnn[n-]2)c1 ZINC000826267455 609448554 /nfs/dbraw/zinc/44/85/54/609448554.db2.gz GTGVGQLDZXGLER-GFCCVEGCSA-N -1 3 372.812 3.339 20 0 FGADHM Cc1cc(Cl)ccc1O[C@H](C)C(=O)OCc1cccc(-c2nn[n-]n2)c1 ZINC000826267455 609448557 /nfs/dbraw/zinc/44/85/57/609448557.db2.gz GTGVGQLDZXGLER-GFCCVEGCSA-N -1 3 372.812 3.339 20 0 FGADHM Cn1ccc(C(=O)CSc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c1 ZINC000826362958 609451607 /nfs/dbraw/zinc/45/16/07/609451607.db2.gz PWDHISHPLMAINU-UHFFFAOYSA-N -1 3 367.356 3.199 20 0 FGADHM Cn1ccc(C(=O)CSc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c1 ZINC000826362958 609451609 /nfs/dbraw/zinc/45/16/09/609451609.db2.gz PWDHISHPLMAINU-UHFFFAOYSA-N -1 3 367.356 3.199 20 0 FGADHM CC[C@H](C)NC(=O)[C@@H](C)Sc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000825067247 609451830 /nfs/dbraw/zinc/45/18/30/609451830.db2.gz IWENQTNGFFDILI-DTWKUNHWSA-N -1 3 373.404 3.281 20 0 FGADHM CC[C@H](C)NC(=O)[C@@H](C)Sc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000825067247 609451832 /nfs/dbraw/zinc/45/18/32/609451832.db2.gz IWENQTNGFFDILI-DTWKUNHWSA-N -1 3 373.404 3.281 20 0 FGADHM Cc1nnc(CSc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)s1 ZINC000826336023 609453186 /nfs/dbraw/zinc/45/31/86/609453186.db2.gz KNRDXVXDQIRPGM-UHFFFAOYSA-N -1 3 358.374 3.338 20 0 FGADHM Cc1nnc(CSc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)s1 ZINC000826336023 609453188 /nfs/dbraw/zinc/45/31/88/609453188.db2.gz KNRDXVXDQIRPGM-UHFFFAOYSA-N -1 3 358.374 3.338 20 0 FGADHM O=C(c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1)N1CC=CCC1 ZINC000826473927 609455053 /nfs/dbraw/zinc/45/50/53/609455053.db2.gz UEKQDBHTLILTLB-UHFFFAOYSA-N -1 3 363.446 3.420 20 0 FGADHM O=C(c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1)N1CC=CCC1 ZINC000826473927 609455056 /nfs/dbraw/zinc/45/50/56/609455056.db2.gz UEKQDBHTLILTLB-UHFFFAOYSA-N -1 3 363.446 3.420 20 0 FGADHM Fc1ccc(SCCCNc2nc3ccccn3c2-c2nnn[n-]2)cc1 ZINC000826376326 609458047 /nfs/dbraw/zinc/45/80/47/609458047.db2.gz YHXYAJMMAKSTKO-UHFFFAOYSA-N -1 3 369.429 3.248 20 0 FGADHM Fc1ccc(SCCCNc2nc3ccccn3c2-c2nn[n-]n2)cc1 ZINC000826376326 609458050 /nfs/dbraw/zinc/45/80/50/609458050.db2.gz YHXYAJMMAKSTKO-UHFFFAOYSA-N -1 3 369.429 3.248 20 0 FGADHM Cc1ccc(-c2csc(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)n2)c(C)c1 ZINC000826273767 609459194 /nfs/dbraw/zinc/45/91/94/609459194.db2.gz SUXFSOCIDQQKJT-UHFFFAOYSA-N -1 3 365.422 3.187 20 0 FGADHM Cc1ccc(-c2csc(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)n2)c(C)c1 ZINC000826273767 609459196 /nfs/dbraw/zinc/45/91/96/609459196.db2.gz SUXFSOCIDQQKJT-UHFFFAOYSA-N -1 3 365.422 3.187 20 0 FGADHM CC(C)(C)OC(=O)c1cccc(CNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000824114472 609474341 /nfs/dbraw/zinc/47/43/41/609474341.db2.gz SHKABNKNVNMMHS-UHFFFAOYSA-N -1 3 351.410 3.434 20 0 FGADHM CC(C)(C)OC(=O)c1cccc(CNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000824114472 609474343 /nfs/dbraw/zinc/47/43/43/609474343.db2.gz SHKABNKNVNMMHS-UHFFFAOYSA-N -1 3 351.410 3.434 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NCc1cc(OC)c(OC)cc1C ZINC000825632368 609477417 /nfs/dbraw/zinc/47/74/17/609477417.db2.gz PQWPQJKEMRIOFR-UHFFFAOYSA-N -1 3 369.425 3.203 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NCc1cc(OC)c(OC)cc1C ZINC000825632368 609477419 /nfs/dbraw/zinc/47/74/19/609477419.db2.gz PQWPQJKEMRIOFR-UHFFFAOYSA-N -1 3 369.425 3.203 20 0 FGADHM Fc1c(CNc2ccc3c(cnn3C(F)F)c2)cccc1-c1nnn[n-]1 ZINC000826370916 609481612 /nfs/dbraw/zinc/48/16/12/609481612.db2.gz LMPQBGAJMRCUGI-UHFFFAOYSA-N -1 3 359.315 3.363 20 0 FGADHM Fc1c(CNc2ccc3c(cnn3C(F)F)c2)cccc1-c1nn[n-]n1 ZINC000826370916 609481613 /nfs/dbraw/zinc/48/16/13/609481613.db2.gz LMPQBGAJMRCUGI-UHFFFAOYSA-N -1 3 359.315 3.363 20 0 FGADHM COc1ccc(CNc2cc(F)c(SC)c(F)c2)cc1-c1nnn[n-]1 ZINC000826203191 609481632 /nfs/dbraw/zinc/48/16/32/609481632.db2.gz CEEQFSJRNDSZKG-UHFFFAOYSA-N -1 3 363.393 3.488 20 0 FGADHM COc1ccc(CNc2cc(F)c(SC)c(F)c2)cc1-c1nn[n-]n1 ZINC000826203191 609481633 /nfs/dbraw/zinc/48/16/33/609481633.db2.gz CEEQFSJRNDSZKG-UHFFFAOYSA-N -1 3 363.393 3.488 20 0 FGADHM COCCOc1ccc(-c2nnn[n-]2)cc1NC[C@@H]1CCc2ccccc21 ZINC000826162359 609483834 /nfs/dbraw/zinc/48/38/34/609483834.db2.gz YIVTVIJYLURSLF-INIZCTEOSA-N -1 3 365.437 3.034 20 0 FGADHM COCCOc1ccc(-c2nn[n-]n2)cc1NC[C@@H]1CCc2ccccc21 ZINC000826162359 609483836 /nfs/dbraw/zinc/48/38/36/609483836.db2.gz YIVTVIJYLURSLF-INIZCTEOSA-N -1 3 365.437 3.034 20 0 FGADHM C[C@@H]1CCC[C@H]1C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(F)(F)F ZINC000824925515 609488984 /nfs/dbraw/zinc/48/89/84/609488984.db2.gz DQONLZCQQQCVBR-BXUZGUMPSA-N -1 3 367.375 3.194 20 0 FGADHM C[C@@H]1CCC[C@H]1C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(F)(F)F ZINC000824925515 609488985 /nfs/dbraw/zinc/48/89/85/609488985.db2.gz DQONLZCQQQCVBR-BXUZGUMPSA-N -1 3 367.375 3.194 20 0 FGADHM C[C@H]1CCC[C@@H]1C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000824928189 609489052 /nfs/dbraw/zinc/48/90/52/609489052.db2.gz SDMZMRAMJFLRNA-LRDDRELGSA-N -1 3 364.409 3.429 20 0 FGADHM CC(=O)Nc1ccccc1CNc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000824005569 609491192 /nfs/dbraw/zinc/49/11/92/609491192.db2.gz XXALGIJCFYWDNZ-UHFFFAOYSA-N -1 3 366.425 3.224 20 0 FGADHM CC(=O)Nc1ccccc1CNc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000824005569 609491193 /nfs/dbraw/zinc/49/11/93/609491193.db2.gz XXALGIJCFYWDNZ-UHFFFAOYSA-N -1 3 366.425 3.224 20 0 FGADHM COc1ccc(CNc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)c(OC)c1 ZINC000826204062 609491550 /nfs/dbraw/zinc/49/15/50/609491550.db2.gz VPJVRAMNBOGZKH-UHFFFAOYSA-N -1 3 369.425 3.283 20 0 FGADHM COc1ccc(CNc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)c(OC)c1 ZINC000826204062 609491553 /nfs/dbraw/zinc/49/15/53/609491553.db2.gz VPJVRAMNBOGZKH-UHFFFAOYSA-N -1 3 369.425 3.283 20 0 FGADHM CC[C@@H](C)c1ccc(OS(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000825075597 609507343 /nfs/dbraw/zinc/50/73/43/609507343.db2.gz QLYZRIYTEYDHCE-CYBMUJFWSA-N -1 3 372.450 3.289 20 0 FGADHM CC[C@@H](C)c1ccc(OS(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825075597 609507344 /nfs/dbraw/zinc/50/73/44/609507344.db2.gz QLYZRIYTEYDHCE-CYBMUJFWSA-N -1 3 372.450 3.289 20 0 FGADHM CCCCCN(CCCOC)C(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000825275956 609509705 /nfs/dbraw/zinc/50/97/05/609509705.db2.gz JJXLAOUSRKNRIL-UHFFFAOYSA-N -1 3 362.503 3.092 20 0 FGADHM CCCCCN(CCCOC)C(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000825275956 609509707 /nfs/dbraw/zinc/50/97/07/609509707.db2.gz JJXLAOUSRKNRIL-UHFFFAOYSA-N -1 3 362.503 3.092 20 0 FGADHM CC[C@H](C)[C@@H](C)C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(F)(F)F ZINC000825050329 609529833 /nfs/dbraw/zinc/52/98/33/609529833.db2.gz HVOSAQQWQZHRBF-NWDGAFQWSA-N -1 3 369.391 3.440 20 0 FGADHM CC[C@H](C)[C@@H](C)C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(F)(F)F ZINC000825050329 609529835 /nfs/dbraw/zinc/52/98/35/609529835.db2.gz HVOSAQQWQZHRBF-NWDGAFQWSA-N -1 3 369.391 3.440 20 0 FGADHM CC(C)Oc1c(F)cc(NC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1F ZINC000824315788 609536998 /nfs/dbraw/zinc/53/69/98/609536998.db2.gz YSFOABHUGWWLPU-UHFFFAOYSA-N -1 3 359.336 3.184 20 0 FGADHM CC(C)Oc1c(F)cc(NC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000824315788 609537000 /nfs/dbraw/zinc/53/70/00/609537000.db2.gz YSFOABHUGWWLPU-UHFFFAOYSA-N -1 3 359.336 3.184 20 0 FGADHM CC(C)Oc1c(F)cc(NC(=O)c2sccc2-c2nnn[n-]2)cc1F ZINC000824315806 609540478 /nfs/dbraw/zinc/54/04/78/609540478.db2.gz ZHRUEWGBHMJUDK-UHFFFAOYSA-N -1 3 365.365 3.246 20 0 FGADHM CC(C)Oc1c(F)cc(NC(=O)c2sccc2-c2nn[n-]n2)cc1F ZINC000824315806 609540479 /nfs/dbraw/zinc/54/04/79/609540479.db2.gz ZHRUEWGBHMJUDK-UHFFFAOYSA-N -1 3 365.365 3.246 20 0 FGADHM Cc1c(Cl)cnc(N2CCC[C@@H](Oc3ccccc3)C2)c1-c1nnn[n-]1 ZINC000826238097 609553254 /nfs/dbraw/zinc/55/32/54/609553254.db2.gz WFGYHLQONACVKV-CQSZACIVSA-N -1 3 370.844 3.271 20 0 FGADHM Cc1c(Cl)cnc(N2CCC[C@@H](Oc3ccccc3)C2)c1-c1nn[n-]n1 ZINC000826238097 609553257 /nfs/dbraw/zinc/55/32/57/609553257.db2.gz WFGYHLQONACVKV-CQSZACIVSA-N -1 3 370.844 3.271 20 0 FGADHM Cc1c(Cl)cnc(N2CCc3c(Cl)cccc3C2)c1-c1nnn[n-]1 ZINC000826238922 609557397 /nfs/dbraw/zinc/55/73/97/609557397.db2.gz SPWDDNFFGQATIF-UHFFFAOYSA-N -1 3 361.236 3.440 20 0 FGADHM Cc1c(Cl)cnc(N2CCc3c(Cl)cccc3C2)c1-c1nn[n-]n1 ZINC000826238922 609557399 /nfs/dbraw/zinc/55/73/99/609557399.db2.gz SPWDDNFFGQATIF-UHFFFAOYSA-N -1 3 361.236 3.440 20 0 FGADHM CCS[C@@H]1CC[C@H](N(C)c2ncc(Cl)c(C)c2-c2nnn[n-]2)C1 ZINC000825668754 609562713 /nfs/dbraw/zinc/56/27/13/609562713.db2.gz JNDKOXTWDGWVEC-WDEREUQCSA-N -1 3 352.895 3.334 20 0 FGADHM CCS[C@@H]1CC[C@H](N(C)c2ncc(Cl)c(C)c2-c2nn[n-]n2)C1 ZINC000825668754 609562716 /nfs/dbraw/zinc/56/27/16/609562716.db2.gz JNDKOXTWDGWVEC-WDEREUQCSA-N -1 3 352.895 3.334 20 0 FGADHM Cc1c(Cl)cnc(NC[C@@H]2CCCO[C@H]2C(C)C)c1-c1nnn[n-]1 ZINC000826239856 609570540 /nfs/dbraw/zinc/57/05/40/609570540.db2.gz SBBIZYIWSPGGON-FZMZJTMJSA-N -1 3 350.854 3.087 20 0 FGADHM Cc1c(Cl)cnc(NC[C@@H]2CCCO[C@H]2C(C)C)c1-c1nn[n-]n1 ZINC000826239856 609570542 /nfs/dbraw/zinc/57/05/42/609570542.db2.gz SBBIZYIWSPGGON-FZMZJTMJSA-N -1 3 350.854 3.087 20 0 FGADHM Cc1ccc(C2CCN(c3ncc(Cl)c(C)c3-c3nnn[n-]3)CC2)cn1 ZINC000826286016 609587520 /nfs/dbraw/zinc/58/75/20/609587520.db2.gz QDPGNFALWOYFJE-UHFFFAOYSA-N -1 3 369.860 3.311 20 0 FGADHM Cc1ccc(C2CCN(c3ncc(Cl)c(C)c3-c3nn[n-]n3)CC2)cn1 ZINC000826286016 609587523 /nfs/dbraw/zinc/58/75/23/609587523.db2.gz QDPGNFALWOYFJE-UHFFFAOYSA-N -1 3 369.860 3.311 20 0 FGADHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1N1CCC([C@H]2CCOC2)CC1 ZINC000826368072 609591644 /nfs/dbraw/zinc/59/16/44/609591644.db2.gz APNDSLMHWUCFIV-ZDUSSCGKSA-N -1 3 367.375 3.138 20 0 FGADHM O=C(Nc1ccc(Cl)c(OC(F)F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826453571 609607108 /nfs/dbraw/zinc/60/71/08/609607108.db2.gz PQHUGOSSLCWQOY-UHFFFAOYSA-N -1 3 365.727 3.374 20 0 FGADHM O=C(Nc1ccc(Cl)c(OC(F)F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826453571 609607111 /nfs/dbraw/zinc/60/71/11/609607111.db2.gz PQHUGOSSLCWQOY-UHFFFAOYSA-N -1 3 365.727 3.374 20 0 FGADHM CCC[C@@H]1C[C@H](C(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)CCO1 ZINC000825253905 609615718 /nfs/dbraw/zinc/61/57/18/609615718.db2.gz PMAVDELGFXYXLH-BXUZGUMPSA-N -1 3 364.833 3.159 20 0 FGADHM CCC[C@@H]1C[C@H](C(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)CCO1 ZINC000825253905 609615719 /nfs/dbraw/zinc/61/57/19/609615719.db2.gz PMAVDELGFXYXLH-BXUZGUMPSA-N -1 3 364.833 3.159 20 0 FGADHM Cc1nc(Cl)sc1C(=O)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826326984 609617122 /nfs/dbraw/zinc/61/71/22/609617122.db2.gz NIMZLDNZWFOIGC-UHFFFAOYSA-N -1 3 370.221 3.295 20 0 FGADHM Cc1nc(Cl)sc1C(=O)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826326984 609617124 /nfs/dbraw/zinc/61/71/24/609617124.db2.gz NIMZLDNZWFOIGC-UHFFFAOYSA-N -1 3 370.221 3.295 20 0 FGADHM CC[C@H](C)[C@H](C(=O)OCC(=O)[N-]C(=O)c1cccs1)c1ccccc1 ZINC000007089801 695562792 /nfs/dbraw/zinc/56/27/92/695562792.db2.gz BUXYNARUBVEFEC-GUYCJALGSA-N -1 3 359.447 3.378 20 0 FGADHM CSc1ccccc1C(=O)N[N-]C(=O)c1ccccc1Br ZINC000008488448 695583803 /nfs/dbraw/zinc/58/38/03/695583803.db2.gz UQXKVIZOZSPPQJ-UHFFFAOYSA-N -1 3 365.252 3.246 20 0 FGADHM C[C@@H](OC(=O)c1cc(Cl)c(Cl)[n-]1)C(=O)NC(=O)Nc1ccccc1 ZINC000011810784 695602887 /nfs/dbraw/zinc/60/28/87/695602887.db2.gz IMDJIUZWDUYSCU-MRVPVSSYSA-N -1 3 370.192 3.215 20 0 FGADHM Cc1noc(C)c1CC(=O)O[C@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000021493770 695645234 /nfs/dbraw/zinc/64/52/34/695645234.db2.gz HPWXHFUVZRMPBX-SNVBAGLBSA-N -1 3 361.423 3.053 20 0 FGADHM Cc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)cc1C ZINC000029053699 695708656 /nfs/dbraw/zinc/70/86/56/695708656.db2.gz HDOJIFGWHDDWRS-UHFFFAOYSA-N -1 3 362.426 3.136 20 0 FGADHM Cc1cccc(C)c1NC(=O)C[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000032415109 695744378 /nfs/dbraw/zinc/74/43/78/695744378.db2.gz CYCKZMBWLHGKFA-UHFFFAOYSA-N -1 3 370.833 3.013 20 0 FGADHM C[C@@H]1CCc2c(C(=O)OCC(=O)[N-]C(=O)c3cccs3)csc2C1 ZINC000032835987 695748075 /nfs/dbraw/zinc/74/80/75/695748075.db2.gz CWMVAQWIZQEVDD-SNVBAGLBSA-N -1 3 363.460 3.048 20 0 FGADHM O=C(NN=C1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc([O-])cc1 ZINC000043910714 695798585 /nfs/dbraw/zinc/79/85/85/695798585.db2.gz NWULRKNVRVLQMS-UHFFFAOYSA-N -1 3 357.841 3.427 20 0 FGADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H](C)CC(C)(C)c1ccccc1 ZINC000069043754 695946766 /nfs/dbraw/zinc/94/67/66/695946766.db2.gz OJDYAEZVUQJYKL-LBPRGKRZSA-N -1 3 369.918 3.417 20 0 FGADHM O=C(Nc1cc(Cl)ccc1[O-])[C@@H]1CCCN1C(=O)OCC(F)(F)F ZINC000069392742 695949860 /nfs/dbraw/zinc/94/98/60/695949860.db2.gz POHUGXIJYFUPIJ-JTQLQIEISA-N -1 3 366.723 3.147 20 0 FGADHM O=S(=O)([N-]Cc1cc(Br)cs1)c1cccnc1Cl ZINC000071308141 695957763 /nfs/dbraw/zinc/95/77/63/695957763.db2.gz FYSAIHGFPDRPQV-UHFFFAOYSA-N -1 3 367.677 3.038 20 0 FGADHM CC(C)CN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)C1CC1 ZINC000075901758 700220537 /nfs/dbraw/zinc/22/05/37/700220537.db2.gz FKCFWUWGMJIVOU-UHFFFAOYSA-N -1 3 370.490 3.163 20 0 FGADHM CSCC[C@@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000076312271 700230500 /nfs/dbraw/zinc/23/05/00/700230500.db2.gz 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CCc1ccc(O)c([N-]S(=O)(=O)CCCOc2ccc(OC)cc2)c1 ZINC000674336678 721687807 /nfs/dbraw/zinc/68/78/07/721687807.db2.gz WMYUTNGMLFMLBS-UHFFFAOYSA-N -1 3 365.451 3.174 20 0 FGADHM Cc1cc(F)c(S(=O)(=O)[N-]Cc2ccccc2N2CCCC2)cc1F ZINC000675610332 721762419 /nfs/dbraw/zinc/76/24/19/721762419.db2.gz HUVMULGRSTZEQI-UHFFFAOYSA-N -1 3 366.433 3.352 20 0 FGADHM Cc1[n-][nH]c(=O)c1CCNC(=O)CCCCc1ccc(Cl)c(Cl)c1 ZINC000677087400 721857374 /nfs/dbraw/zinc/85/73/74/721857374.db2.gz ALXBLFXRSOVRJY-CYBMUJFWSA-N -1 3 370.280 3.334 20 0 FGADHM Cc1noc(C(F)(F)F)c1C(=O)[N-]c1nc(Br)ccc1O ZINC000783913065 724803395 /nfs/dbraw/zinc/80/33/95/724803395.db2.gz FSKJYRUGKLGQCU-UHFFFAOYSA-N -1 3 366.093 3.117 20 0 FGADHM Cc1ncc(S(=O)(=O)[N-]CCc2c[nH]c3cc(Cl)ccc23)s1 ZINC000677240675 721875240 /nfs/dbraw/zinc/87/52/40/721875240.db2.gz KDHMSLPCHAVXDL-UHFFFAOYSA-N -1 3 355.872 3.107 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCS[C@@H](c3ccccc3)C2)c1 ZINC000677289741 721882334 /nfs/dbraw/zinc/88/23/34/721882334.db2.gz 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C[C@@H](CCC(C)(C)C)C(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000812274736 725392184 /nfs/dbraw/zinc/39/21/84/725392184.db2.gz KLDIOAJHHVJHGC-QWHCGFSZSA-N -1 3 350.425 3.366 20 0 FGADHM COc1cc(C(=O)N(Cc2ccccc2Cl)OC)cc(OC)c1[O-] ZINC000812428196 725397046 /nfs/dbraw/zinc/39/70/46/725397046.db2.gz LJFBBWWJESMVNB-UHFFFAOYSA-N -1 3 351.786 3.267 20 0 FGADHM CC(C)OCCO[N-]C(=O)CCC(=O)c1cc(Cl)sc1Cl ZINC000812805308 726814039 /nfs/dbraw/zinc/81/40/39/726814039.db2.gz JZXOUOKARLEAIO-UHFFFAOYSA-N -1 3 354.255 3.491 20 0 FGADHM O=C([N-]c1cnsn1)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1 ZINC000813375178 726867079 /nfs/dbraw/zinc/86/70/79/726867079.db2.gz FHXIKXGITCHTFT-UHFFFAOYSA-N -1 3 372.410 3.239 20 0 FGADHM COC(=O)c1cc(C(=O)OCc2ccc(Br)c(F)c2)c[n-]1 ZINC000814527763 726978468 /nfs/dbraw/zinc/97/84/68/726978468.db2.gz GMDXKNYCGAOCJF-UHFFFAOYSA-N -1 3 356.147 3.060 20 0 FGADHM COc1cc(Cl)cc(C(=O)OCc2noc(-c3ccccc3[O-])n2)c1 ZINC000815459927 727076145 /nfs/dbraw/zinc/07/61/45/727076145.db2.gz 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ZINC000818283425 727305110 /nfs/dbraw/zinc/30/51/10/727305110.db2.gz HVYDSVMFCGQXAM-UHFFFAOYSA-N -1 3 354.378 3.254 20 0 FGADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)Nc1nc(CC(F)(F)F)cs1 ZINC000819296349 727365381 /nfs/dbraw/zinc/36/53/81/727365381.db2.gz PSBYQDYTVGVBKR-UHFFFAOYSA-N -1 3 360.361 3.428 20 0 FGADHM CC(C)(C)c1nc(C[S@@](=O)Cc2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000819965843 728958058 /nfs/dbraw/zinc/95/80/58/728958058.db2.gz PDYUNHXCTQVGFW-DEOSSOPVSA-N -1 3 361.496 3.070 20 0 FGADHM CC(C)(C)c1nc(C[S@@](=O)Cc2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000819965843 728958062 /nfs/dbraw/zinc/95/80/62/728958062.db2.gz PDYUNHXCTQVGFW-DEOSSOPVSA-N -1 3 361.496 3.070 20 0 FGADHM COc1cccc(S([O-])=CC(=O)O[C@H](c2ccccn2)C(F)(F)F)c1 ZINC000820344616 728986820 /nfs/dbraw/zinc/98/68/20/728986820.db2.gz BICZJWIVTIFXFV-BZQUYTCOSA-N -1 3 373.352 3.045 20 0 FGADHM CCCCO[C@H]1C[C@@H](OC(=O)c2sccc2-c2nnn[n-]2)C1(C)C ZINC000821072034 729054888 /nfs/dbraw/zinc/05/48/88/729054888.db2.gz QAJUHMVHGFJFNE-NWDGAFQWSA-N -1 3 350.444 3.069 20 0 FGADHM COc1cccc(S([O-])=CC(=O)OCc2ccccc2OC(C)C)c1 ZINC000821352315 729079678 /nfs/dbraw/zinc/07/96/78/729079678.db2.gz JDPQOHMPERAMOB-RUZDIDTESA-N -1 3 362.447 3.333 20 0 FGADHM COc1cccc(S([O-])=CC(=O)OCCOc2cc(C)ccc2C)c1 ZINC000821364598 729080546 /nfs/dbraw/zinc/08/05/46/729080546.db2.gz CXYBEMNQNAEMCX-RUZDIDTESA-N -1 3 362.447 3.042 20 0 FGADHM CC(C)Oc1ccc([N-]S(=O)(=O)CC(=O)O[C@@H]2CCC23CCC3)cc1 ZINC000821820961 729119785 /nfs/dbraw/zinc/11/97/85/729119785.db2.gz UAKIUGISTDGBCJ-MRXNPFEDSA-N -1 3 367.467 3.091 20 0 FGADHM Cc1csc([N-]C(=O)c2cc(C(C)(C)NC(=O)OC(C)(C)C)no2)n1 ZINC000822638980 729204098 /nfs/dbraw/zinc/20/40/98/729204098.db2.gz KZZQWCFGUFJPAL-UHFFFAOYSA-N -1 3 366.443 3.452 20 0 FGADHM CCOc1cc(-c2noc([C@@H]3CCCCN3)n2)cc(Br)c1[O-] ZINC000823051608 729248172 /nfs/dbraw/zinc/24/81/72/729248172.db2.gz IESGQNFEKRPLOY-NSHDSACASA-N -1 3 368.231 3.418 20 0 FGADHM COc1cc(-c2noc([C@H]3C[C@@H](C)CCN3)n2)cc(Br)c1[O-] ZINC000823074659 729249641 /nfs/dbraw/zinc/24/96/41/729249641.db2.gz FTYXQLMMEODNHJ-GZMMTYOYSA-N -1 3 368.231 3.274 20 0 FGADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1F)c1cccc(F)c1Cl ZINC000823422632 729278890 /nfs/dbraw/zinc/27/88/90/729278890.db2.gz ZAOZIUJXBFLALN-UHFFFAOYSA-N -1 3 350.712 3.155 20 0 FGADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1F)c1cccc(F)c1Cl ZINC000823422632 729278892 /nfs/dbraw/zinc/27/88/92/729278892.db2.gz ZAOZIUJXBFLALN-UHFFFAOYSA-N -1 3 350.712 3.155 20 0 FGADHM O=[S@](Cc1csc(C2CCCC2)n1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000823615035 729292652 /nfs/dbraw/zinc/29/26/52/729292652.db2.gz YIDJHAKWFMSESA-VWLOTQADSA-N -1 3 373.507 3.430 20 0 FGADHM O=[S@](Cc1csc(C2CCCC2)n1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000823615035 729292655 /nfs/dbraw/zinc/29/26/55/729292655.db2.gz YIDJHAKWFMSESA-VWLOTQADSA-N -1 3 373.507 3.430 20 0 FGADHM Brc1ccc(N2CCC[C@H]2c2ccccn2)c(-c2nnn[n-]2)c1 ZINC000823826280 729307080 /nfs/dbraw/zinc/30/70/80/729307080.db2.gz GCYIUDUTOMKATJ-HNNXBMFYSA-N -1 3 371.242 3.366 20 0 FGADHM Brc1ccc(N2CCC[C@H]2c2ccccn2)c(-c2nn[n-]n2)c1 ZINC000823826280 729307082 /nfs/dbraw/zinc/30/70/82/729307082.db2.gz GCYIUDUTOMKATJ-HNNXBMFYSA-N -1 3 371.242 3.366 20 0 FGADHM CC(C)[C@H](O)C(C)(C)CNc1ccc(Br)cc1-c1nnn[n-]1 ZINC000824200762 729324095 /nfs/dbraw/zinc/32/40/95/729324095.db2.gz UWLSWFIOMKMVGU-ZDUSSCGKSA-N -1 3 368.279 3.084 20 0 FGADHM CC(C)[C@H](O)C(C)(C)CNc1ccc(Br)cc1-c1nn[n-]n1 ZINC000824200762 729324097 /nfs/dbraw/zinc/32/40/97/729324097.db2.gz UWLSWFIOMKMVGU-ZDUSSCGKSA-N -1 3 368.279 3.084 20 0 FGADHM CC(C)Cc1noc(CSc2cccc(Cl)c2-c2nnn[n-]2)n1 ZINC000824280098 729328150 /nfs/dbraw/zinc/32/81/50/729328150.db2.gz CQHYVEBNZRENMB-UHFFFAOYSA-N -1 3 350.835 3.394 20 0 FGADHM CC(C)Cc1noc(CSc2cccc(Cl)c2-c2nn[n-]n2)n1 ZINC000824280098 729328154 /nfs/dbraw/zinc/32/81/54/729328154.db2.gz CQHYVEBNZRENMB-UHFFFAOYSA-N -1 3 350.835 3.394 20 0 FGADHM C[C@@H](CN(C)c1nc2ccccc2cc1-c1nnn[n-]1)c1nccs1 ZINC000824414354 729336808 /nfs/dbraw/zinc/33/68/08/729336808.db2.gz ZZGUNGGMZYPOBL-NSHDSACASA-N -1 3 351.439 3.111 20 0 FGADHM C[C@@H](CN(C)c1nc2ccccc2cc1-c1nn[n-]n1)c1nccs1 ZINC000824414354 729336811 /nfs/dbraw/zinc/33/68/11/729336811.db2.gz ZZGUNGGMZYPOBL-NSHDSACASA-N -1 3 351.439 3.111 20 0 FGADHM C[C@H](O)c1ccc(CNc2ccc(Br)cc2-c2nnn[n-]2)cc1 ZINC000824705467 729355892 /nfs/dbraw/zinc/35/58/92/729355892.db2.gz BKNLHQKWICHKLO-JTQLQIEISA-N -1 3 374.242 3.295 20 0 FGADHM C[C@H](O)c1ccc(CNc2ccc(Br)cc2-c2nn[n-]n2)cc1 ZINC000824705467 729355893 /nfs/dbraw/zinc/35/58/93/729355893.db2.gz BKNLHQKWICHKLO-JTQLQIEISA-N -1 3 374.242 3.295 20 0 FGADHM C[C@H]1CN(C(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CC[C@@H]1C ZINC000824957739 729366140 /nfs/dbraw/zinc/36/61/40/729366140.db2.gz ZGOBISWILAVJGE-UWVGGRQHSA-N -1 3 350.879 3.195 20 0 FGADHM C[C@H]1CN(C(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CC[C@@H]1C ZINC000824957739 729366142 /nfs/dbraw/zinc/36/61/42/729366142.db2.gz ZGOBISWILAVJGE-UWVGGRQHSA-N -1 3 350.879 3.195 20 0 FGADHM CCC/C=C\C(=O)Nc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000825261109 729376061 /nfs/dbraw/zinc/37/60/61/729376061.db2.gz UOWNNRGIJVBHNS-PLNGDYQASA-N -1 3 357.805 3.001 20 0 FGADHM CCc1nnc(CSc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)o1 ZINC000825767976 729394641 /nfs/dbraw/zinc/39/46/41/729394641.db2.gz WUXDTYHPSOEQOE-UHFFFAOYSA-N -1 3 356.333 3.123 20 0 FGADHM CCc1nnc(CSc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)o1 ZINC000825767976 729394642 /nfs/dbraw/zinc/39/46/42/729394642.db2.gz WUXDTYHPSOEQOE-UHFFFAOYSA-N -1 3 356.333 3.123 20 0 FGADHM COC1CCC(CNc2ccc(Br)cc2-c2nnn[n-]2)CC1 ZINC000826145741 729406065 /nfs/dbraw/zinc/40/60/65/729406065.db2.gz LMESAPLJCGVDFN-UHFFFAOYSA-N -1 3 366.263 3.246 20 0 FGADHM COC1CCC(CNc2ccc(Br)cc2-c2nn[n-]n2)CC1 ZINC000826145741 729406066 /nfs/dbraw/zinc/40/60/66/729406066.db2.gz LMESAPLJCGVDFN-UHFFFAOYSA-N -1 3 366.263 3.246 20 0 FGADHM C[S@@](=O)Cc1cc(NCc2cccc(-c3nnn[n-]3)c2)ccc1Cl ZINC000826224969 729406399 /nfs/dbraw/zinc/40/63/99/729406399.db2.gz QFGGYABQSGBGKF-XMMPIXPASA-N -1 3 361.858 3.011 20 0 FGADHM C[S@@](=O)Cc1cc(NCc2cccc(-c3nn[n-]n3)c2)ccc1Cl ZINC000826224969 729406400 /nfs/dbraw/zinc/40/64/00/729406400.db2.gz QFGGYABQSGBGKF-XMMPIXPASA-N -1 3 361.858 3.011 20 0 FGADHM Cc1c(Cl)cnc(N[C@H](C)C[C@H](O)c2cccs2)c1-c1nnn[n-]1 ZINC000826239011 729406657 /nfs/dbraw/zinc/40/66/57/729406657.db2.gz VYFXIYXQDDUFPC-KCJUWKMLSA-N -1 3 364.862 3.209 20 0 FGADHM Cc1c(Cl)cnc(N[C@H](C)C[C@H](O)c2cccs2)c1-c1nn[n-]n1 ZINC000826239011 729406658 /nfs/dbraw/zinc/40/66/58/729406658.db2.gz VYFXIYXQDDUFPC-KCJUWKMLSA-N -1 3 364.862 3.209 20 0 FGADHM Cc1ccc(CNc2ccn(-c3ccc(Cl)cc3-c3nnn[n-]3)n2)o1 ZINC000826288583 729406818 /nfs/dbraw/zinc/40/68/18/729406818.db2.gz OAIHKYHPCOIYQJ-UHFFFAOYSA-N -1 3 355.789 3.219 20 0 FGADHM Cc1ccc(CNc2ccn(-c3ccc(Cl)cc3-c3nn[n-]n3)n2)o1 ZINC000826288583 729406819 /nfs/dbraw/zinc/40/68/19/729406819.db2.gz OAIHKYHPCOIYQJ-UHFFFAOYSA-N -1 3 355.789 3.219 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)c1ccccc1Br ZINC000826254568 729406955 /nfs/dbraw/zinc/40/69/55/729406955.db2.gz RDYBLUGULLKTCR-UHFFFAOYSA-N -1 3 373.210 3.295 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)c1ccccc1Br ZINC000826254568 729406956 /nfs/dbraw/zinc/40/69/56/729406956.db2.gz RDYBLUGULLKTCR-UHFFFAOYSA-N -1 3 373.210 3.295 20 0 FGADHM Cc1cnc(CN[C@H](c2cccc(-c3nnn[n-]3)c2)C(F)(F)F)s1 ZINC000826318293 729407236 /nfs/dbraw/zinc/40/72/36/729407236.db2.gz CDXWLXUJYMYMBV-GFCCVEGCSA-N -1 3 354.361 3.025 20 0 FGADHM Cc1cnc(CN[C@H](c2cccc(-c3nn[n-]n3)c2)C(F)(F)F)s1 ZINC000826318293 729407237 /nfs/dbraw/zinc/40/72/37/729407237.db2.gz CDXWLXUJYMYMBV-GFCCVEGCSA-N -1 3 354.361 3.025 20 0 FGADHM Cc1ncsc1CNc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000826331507 729407449 /nfs/dbraw/zinc/40/74/49/729407449.db2.gz LGZYSRWCHQPAMW-UHFFFAOYSA-N -1 3 372.845 3.083 20 0 FGADHM O=C(Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)[C@@H]1CCCCS1 ZINC000826459487 729408217 /nfs/dbraw/zinc/40/82/17/729408217.db2.gz LUFNLEVWUHTKGM-ZDUSSCGKSA-N -1 3 372.479 3.214 20 0 FGADHM O=C(Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)[C@@H]1CCCCS1 ZINC000826459487 729408218 /nfs/dbraw/zinc/40/82/18/729408218.db2.gz LUFNLEVWUHTKGM-ZDUSSCGKSA-N -1 3 372.479 3.214 20 0 FGADHM CSc1ccc([O-])c(C(=O)N(C)[C@H](C)CNC(=O)OC(C)(C)C)c1 ZINC000827204607 729426936 /nfs/dbraw/zinc/42/69/36/729426936.db2.gz ZLLQSUMUERGRKK-LLVKDONJSA-N -1 3 354.472 3.099 20 0 FGADHM CC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccc(OC3CC3)cc2)c1 ZINC000829713779 729505692 /nfs/dbraw/zinc/50/56/92/729505692.db2.gz OHRSYICRCCJAHB-UHFFFAOYSA-N -1 3 360.435 3.295 20 0 FGADHM CCOC(=O)c1cc(S(=O)(=O)[N-]c2c(C)ccnc2Cl)ccc1C ZINC000829787376 729511840 /nfs/dbraw/zinc/51/18/40/729511840.db2.gz RBGUGOHTUALARD-UHFFFAOYSA-N -1 3 368.842 3.329 20 0 FGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)C1=C(c2ccccc2)CCCC1 ZINC000829837483 729515669 /nfs/dbraw/zinc/51/56/69/729515669.db2.gz GLGVAWLKGKADFO-UHFFFAOYSA-N -1 3 350.344 3.468 20 0 FGADHM Cc1cc(C(F)(F)C(=O)[N-]Cc2nc3c(s2)CCC3)cnc1Cl ZINC000829960149 729526157 /nfs/dbraw/zinc/52/61/57/729526157.db2.gz ZXDYOIBTTYAYSN-UHFFFAOYSA-N -1 3 357.813 3.397 20 0 FGADHM CC(F)(F)CC[N-]S(=O)(=O)c1cc2ccc(Cl)nc2cc1F ZINC000831692018 729662118 /nfs/dbraw/zinc/66/21/18/729662118.db2.gz ZWKPRTWMMNFXRW-UHFFFAOYSA-N -1 3 352.765 3.351 20 0 FGADHM CCC1([N-]S(=O)(=O)c2cc(Cl)cc(Br)c2OC)CC1 ZINC000831871732 729673495 /nfs/dbraw/zinc/67/34/95/729673495.db2.gz CJXYQVKAMKACFH-UHFFFAOYSA-N -1 3 368.680 3.332 20 0 FGADHM COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-][C@@H](C)[C@@H]1CCC[C@@H](C)C1 ZINC000832727788 729728917 /nfs/dbraw/zinc/72/89/17/729728917.db2.gz XKIDOGZJBQFKHI-GRYCIOLGSA-N -1 3 374.890 3.015 20 0 FGADHM COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-][C@@H](C)[C@H]1CCC[C@H](C)C1 ZINC000832727790 729729006 /nfs/dbraw/zinc/72/90/06/729729006.db2.gz XKIDOGZJBQFKHI-SRVKXCTJSA-N -1 3 374.890 3.015 20 0 FGADHM O=C(c1ccc(O)cc1[O-])N1CCC(Cc2nc3c(s2)CCC3)CC1 ZINC000834547152 729812605 /nfs/dbraw/zinc/81/26/05/729812605.db2.gz BDIIKSKETISPFP-UHFFFAOYSA-N -1 3 358.463 3.138 20 0 FGADHM CC(C)[C@H](CO)ON=C([O-])Nc1ncc(Cc2ccccc2Cl)s1 ZINC000836229046 729948689 /nfs/dbraw/zinc/94/86/89/729948689.db2.gz BOMWQZSBSWEIST-AWEZNQCLSA-N -1 3 369.874 3.457 20 0 FGADHM CC(C)[C@H](CO)O[N-]C(=O)Nc1ncc(Cc2ccccc2Cl)s1 ZINC000836229046 729948690 /nfs/dbraw/zinc/94/86/90/729948690.db2.gz BOMWQZSBSWEIST-AWEZNQCLSA-N -1 3 369.874 3.457 20 0 FGADHM O=C(OCc1cc(=O)[n-]c(C2CC2)n1)[C@@H]1COc2ccc(Cl)cc2C1 ZINC000837362980 730021727 /nfs/dbraw/zinc/02/17/27/730021727.db2.gz SYCXVNHCMKJZAQ-LBPRGKRZSA-N -1 3 360.797 3.008 20 0 FGADHM O=C(OCc1cc(=O)[n-]c(C2CC2)n1)c1cccc(Br)c1F ZINC000837670465 730052702 /nfs/dbraw/zinc/05/27/02/730052702.db2.gz NPINGNCHXCXQJK-UHFFFAOYSA-N -1 3 367.174 3.318 20 0 FGADHM C[C@H](OC(=O)c1cc(Br)c(F)cc1[O-])c1nc(C2CC2)no1 ZINC000837779346 730063353 /nfs/dbraw/zinc/06/33/53/730063353.db2.gz AXEKXRGTYRNEBT-LURJTMIESA-N -1 3 371.162 3.472 20 0 FGADHM CN(C)CCN(Cc1ccsc1)C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000838185597 730097957 /nfs/dbraw/zinc/09/79/57/730097957.db2.gz IEDNAMADCPDTCC-UHFFFAOYSA-N -1 3 361.492 3.382 20 0 FGADHM 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C[C@H](C(=O)N1CCCc2c(=O)[n-]cnc21)c1ccc(Br)cc1 ZINC000893211534 742125498 /nfs/dbraw/zinc/12/54/98/742125498.db2.gz QMDXLQIQIKMGOZ-JTQLQIEISA-N -1 3 362.227 3.028 20 0 FGADHM C[C@@H](NCc1ncc(Br)cc1[O-])[C@H]1OCCc2sccc21 ZINC000894593610 742302502 /nfs/dbraw/zinc/30/25/02/742302502.db2.gz WAMJIJTVOGWTTJ-RFAUZJTJSA-N -1 3 369.284 3.403 20 0 FGADHM Cc1cnnc(N2C[C@@H](CC[N-]C(=O)C(F)(F)F)c3ccccc32)c1 ZINC000895002138 742362097 /nfs/dbraw/zinc/36/20/97/742362097.db2.gz DZJRBZDAVIJQIN-GFCCVEGCSA-N -1 3 350.344 3.089 20 0 FGADHM O=c1cc(N2CC[C@H](Nc3nnc(-c4ccccc4Cl)s3)C2)nc[n-]1 ZINC000897347860 742670995 /nfs/dbraw/zinc/67/09/95/742670995.db2.gz VRUORGMKHMZCKT-JTQLQIEISA-N -1 3 374.857 3.045 20 0 FGADHM CC(C)(C)OC(=O)c1cc(NC(=O)c2ncccc2C(F)(F)F)[n-]n1 ZINC000898096331 742744763 /nfs/dbraw/zinc/74/47/63/742744763.db2.gz XLCIKMKIEMLONP-UHFFFAOYSA-N -1 3 356.304 3.031 20 0 FGADHM CC(C)(C)OC(=O)c1cc(NC(=O)c2ncccc2C(F)(F)F)n[n-]1 ZINC000898096331 742744766 /nfs/dbraw/zinc/74/47/66/742744766.db2.gz 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/nfs/dbraw/zinc/61/57/71/505615771.db2.gz RNNXPTHRQFKKBF-BFQNTYOBSA-N -1 3 368.271 3.076 20 0 FGADHM CC1(C)[C@H](O)C[C@H]1NCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000568175760 505634829 /nfs/dbraw/zinc/63/48/29/505634829.db2.gz HDADZQPRICOIID-ZIAGYGMSSA-N -1 3 355.463 3.313 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC(OC4CCC4)CC3)nc2)n1 ZINC000576966386 505635251 /nfs/dbraw/zinc/63/52/51/505635251.db2.gz POOFXGMNBVYEAX-UHFFFAOYSA-N -1 3 354.454 3.345 20 0 FGADHM O=C(COc1cc(F)cc(F)c1)Nc1ccc(Br)cc1[O-] ZINC000576987388 505639808 /nfs/dbraw/zinc/63/98/08/505639808.db2.gz DUSLCLBQZFUWDT-UHFFFAOYSA-N -1 3 358.138 3.450 20 0 FGADHM Cc1cc(C)c2ncc(C(=O)[O-])c(N3CC[C@H](Cc4cnn(C)c4)C3)c2c1 ZINC000579957111 505653505 /nfs/dbraw/zinc/65/35/05/505653505.db2.gz YTHFCXJHYAGPQS-OAHLLOKOSA-N -1 3 364.449 3.352 20 0 FGADHM CC(C)(Cc1ccc(C(F)(F)F)cc1)NC(=O)Cc1cncc([O-])c1 ZINC000568293414 505660752 /nfs/dbraw/zinc/66/07/52/505660752.db2.gz OWVNTPIMARQYQJ-UHFFFAOYSA-N -1 3 352.356 3.486 20 0 FGADHM O=C(NCc1ncccc1[O-])Nc1c(-c2cccs2)nc2ccccn21 ZINC000580010281 505660720 /nfs/dbraw/zinc/66/07/20/505660720.db2.gz BAIFWUUNSJNVAT-UHFFFAOYSA-N -1 3 365.418 3.485 20 0 FGADHM Cc1cc(C)c2ncc(C(=O)[O-])c(N3CCC(O)(C(F)(F)F)CC3)c2c1 ZINC000573970420 505663382 /nfs/dbraw/zinc/66/33/82/505663382.db2.gz DLJPLZGNMAIHTD-UHFFFAOYSA-N -1 3 368.355 3.443 20 0 FGADHM CCC(CC)[C@H](CC[N-]S(=O)(=O)c1cccnc1C(F)(F)F)OC ZINC000568308923 505663713 /nfs/dbraw/zinc/66/37/13/505663713.db2.gz AVBHXQJTKLYPEU-LBPRGKRZSA-N -1 3 368.421 3.220 20 0 FGADHM C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)c1c[n-]c2ccncc2c1=O ZINC000568365617 505676361 /nfs/dbraw/zinc/67/63/61/505676361.db2.gz MLWJYNFEFUVNMA-ZMZPIMSZSA-N -1 3 351.381 3.116 20 0 FGADHM CC(=O)c1cccc(S(=O)(=O)[N-][C@@H](c2ccccc2)C(F)(F)F)c1 ZINC000075789667 493778623 /nfs/dbraw/zinc/77/86/23/493778623.db2.gz FGCGPIOUJHRASS-HNNXBMFYSA-N -1 3 357.353 3.471 20 0 FGADHM CC(C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccccc1[O-] ZINC000048121488 493788143 /nfs/dbraw/zinc/78/81/43/493788143.db2.gz MDIMWFLKYHHHQP-SFHVURJKSA-N -1 3 365.433 3.196 20 0 FGADHM Cc1nc(C)c(CCC(=O)Nc2ncc(Cc3ccccc3)s2)c(=O)[n-]1 ZINC000057772269 493795209 /nfs/dbraw/zinc/79/52/09/493795209.db2.gz FEQLKZVPCXHZLP-UHFFFAOYSA-N -1 3 368.462 3.005 20 0 FGADHM COc1ccccc1S(=O)(=O)[N-]c1ccc(NC(C)=O)cc1Cl ZINC000057785688 493797365 /nfs/dbraw/zinc/79/73/65/493797365.db2.gz BBSPNMBGEBBHKR-UHFFFAOYSA-N -1 3 354.815 3.108 20 0 FGADHM CC(C)c1ccc(C(=O)N2CCN(C(=O)c3cccs3)CC2)c([O-])c1 ZINC000048385123 493824610 /nfs/dbraw/zinc/82/46/10/493824610.db2.gz AKSJMVXHPHUAIG-UHFFFAOYSA-N -1 3 358.463 3.175 20 0 FGADHM COC(=O)c1cc(C(=O)Nc2nc(-c3cc(C)ccc3OC)cs2)c[n-]1 ZINC000574057383 505683610 /nfs/dbraw/zinc/68/36/10/505683610.db2.gz MJJYFRYUAGMMHF-UHFFFAOYSA-N -1 3 371.418 3.494 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H](C)c3ccc4c(c3)OCO4)nc2)n1 ZINC000068661912 493852390 /nfs/dbraw/zinc/85/23/90/493852390.db2.gz KNAYMLHUFIKLLJ-GFCCVEGCSA-N -1 3 364.405 3.296 20 0 FGADHM 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CCc1cccc(C(=O)N2CCC[C@@H](c3nnc4n3CCCCC4)C2)c1[O-] ZINC000081934173 493968953 /nfs/dbraw/zinc/96/89/53/493968953.db2.gz XVSZCEVMWRGZHI-MRXNPFEDSA-N -1 3 368.481 3.292 20 0 FGADHM Cc1cccc(NC(=O)CN(C)C(=O)c2cc(=O)c3ccccc3[n-]2)c1C ZINC000061205768 493969499 /nfs/dbraw/zinc/96/94/99/493969499.db2.gz GHDLHKYNMDWZRH-UHFFFAOYSA-N -1 3 363.417 3.268 20 0 FGADHM CCCCNC(=O)[C@H]1CCCN(C(=O)c2cc3c(cc2[O-])CCCC3)C1 ZINC000051444860 493970727 /nfs/dbraw/zinc/97/07/27/493970727.db2.gz LQQJEFHMVQKKNR-KRWDZBQOSA-N -1 3 358.482 3.040 20 0 FGADHM CCc1ccc(C(C)(C)NC(=O)c2ccc([N-]S(C)(=O)=O)cc2)cc1 ZINC000083009472 493986805 /nfs/dbraw/zinc/98/68/05/493986805.db2.gz QENDSARTZZOBED-UHFFFAOYSA-N -1 3 360.479 3.286 20 0 FGADHM Cc1cc(C(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)c(C)o1 ZINC000076921350 493988647 /nfs/dbraw/zinc/98/86/47/493988647.db2.gz RDIZNYJCFYGYPB-UHFFFAOYSA-N -1 3 368.430 3.365 20 0 FGADHM CC(C)(C)[S@@](=O)Cc1cccc([N-]S(=O)(=O)C[C@H]2CCCCO2)c1 ZINC000076937787 493992284 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O=C(c1c[n-]c2ccccc2c1=O)N1CCC(Nc2ccc(F)cc2)CC1 ZINC000063584122 494066967 /nfs/dbraw/zinc/06/69/67/494066967.db2.gz DOLZEOPEFKCIDH-UHFFFAOYSA-N -1 3 365.408 3.384 20 0 FGADHM COc1cccc([C@H](C)CC(=O)Nc2ccccc2[N-]S(C)(=O)=O)c1 ZINC000084580522 494084737 /nfs/dbraw/zinc/08/47/37/494084737.db2.gz JLDAXAMCWMKJLU-CYBMUJFWSA-N -1 3 362.451 3.199 20 0 FGADHM O=S(=O)([N-]C[C@@H](c1ccco1)N1CCCC1)c1ccc(Cl)s1 ZINC000036090463 494085783 /nfs/dbraw/zinc/08/57/83/494085783.db2.gz HKLNCOUNYLNNKQ-NSHDSACASA-N -1 3 360.888 3.110 20 0 FGADHM CCOC(=O)c1sc2[n-]c(CSCc3ccco3)nc(=O)c2c1C ZINC000053037750 494086122 /nfs/dbraw/zinc/08/61/22/494086122.db2.gz ZATGHQCZKBBQGL-UHFFFAOYSA-N -1 3 364.448 3.496 20 0 FGADHM CC[C@@H](C)[N-]S(=O)(=O)c1ccc(Br)cc1Br ZINC000037574459 494106926 /nfs/dbraw/zinc/10/69/26/494106926.db2.gz KYLHNKYJAKGCKA-SSDOTTSWSA-N -1 3 371.094 3.288 20 0 FGADHM CCc1ccccc1OCC(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000064342361 494115569 /nfs/dbraw/zinc/11/55/69/494115569.db2.gz 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FGADHM Cc1ccc(S[C@@H](C)C(=O)c2ccc([N-]S(C)(=O)=O)cc2)nc1 ZINC000042173870 494207036 /nfs/dbraw/zinc/20/70/36/494207036.db2.gz XWVKGGJRRPAIQJ-LBPRGKRZSA-N -1 3 350.465 3.125 20 0 FGADHM COc1ccccc1N1C[C@H](C(=O)Nc2cc(Cl)ccc2[O-])CC1=O ZINC000072622685 494219744 /nfs/dbraw/zinc/21/97/44/494219744.db2.gz RKKGLMFHGBBAJK-LLVKDONJSA-N -1 3 360.797 3.046 20 0 FGADHM C[C@@H](Cc1ccsc1)[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000042371609 494219755 /nfs/dbraw/zinc/21/97/55/494219755.db2.gz PCHKJPIYUNYGRH-QMMMGPOBSA-N -1 3 366.327 3.482 20 0 FGADHM CC(C)C1CCN(Cc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)CC1 ZINC000072717797 494239316 /nfs/dbraw/zinc/23/93/16/494239316.db2.gz BDDFAEFWCQGGNC-UHFFFAOYSA-N -1 3 351.454 3.389 20 0 FGADHM Cc1cc(OC(C)C)ccc1NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000065816352 494241975 /nfs/dbraw/zinc/24/19/75/494241975.db2.gz KWYJGSNSUYPVQQ-UHFFFAOYSA-N -1 3 353.378 3.310 20 0 FGADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N[C@H]1CCc2c1cccc2Cl ZINC000065821223 494242765 /nfs/dbraw/zinc/24/27/65/494242765.db2.gz ZAIMIWNVUUSZTR-HNNXBMFYSA-N -1 3 355.781 3.033 20 0 FGADHM Cc1noc(C)c1S(=O)(=O)[N-][C@H](c1ccccc1)c1cccc(F)c1 ZINC000088796486 494264968 /nfs/dbraw/zinc/26/49/68/494264968.db2.gz RXKUALASDSSUBY-QGZVFWFLSA-N -1 3 360.410 3.498 20 0 FGADHM C[C@H](CCc1ccccc1)[N-]S(=O)(=O)c1cncc(Br)c1 ZINC000043532082 494303289 /nfs/dbraw/zinc/30/32/89/494303289.db2.gz SQXGDTQYDRZTTQ-GFCCVEGCSA-N -1 3 369.284 3.144 20 0 FGADHM O=S(=O)([N-]CCc1ccc(-n2cccn2)cc1)c1ccc(Cl)s1 ZINC000014210074 494310912 /nfs/dbraw/zinc/31/09/12/494310912.db2.gz MRFQSZJZSYOZOH-UHFFFAOYSA-N -1 3 367.883 3.108 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)NCCc2ccccc2C(F)(F)F)c1 ZINC000055341293 494330036 /nfs/dbraw/zinc/33/00/36/494330036.db2.gz VRNFBSNRHDDBGS-UHFFFAOYSA-N -1 3 366.339 3.342 20 0 FGADHM C[C@@H]1CCC[C@@H](C)N1C(=O)CN1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000078657789 494338398 /nfs/dbraw/zinc/33/83/98/494338398.db2.gz VJTHRJURBPMLEN-HZPDHXFCSA-N -1 3 358.482 3.076 20 0 FGADHM CC(=O)NCCc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2Cl)cc1 ZINC000055549436 494358554 /nfs/dbraw/zinc/35/85/54/494358554.db2.gz VZLBOTJFYZPTQP-UHFFFAOYSA-N -1 3 366.870 3.128 20 0 FGADHM O=S(=O)([N-]c1ccc(-n2cccn2)c(Cl)c1)c1ccc(F)cc1 ZINC000066585737 494359476 /nfs/dbraw/zinc/35/94/76/494359476.db2.gz AFNYYIPHQFPDKT-UHFFFAOYSA-N -1 3 351.790 3.466 20 0 FGADHM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc2c(c1)NC(=O)[C@@H](C)O2 ZINC000055576579 494364432 /nfs/dbraw/zinc/36/44/32/494364432.db2.gz MCKIKNOSZMEGRF-SNVBAGLBSA-N -1 3 366.826 3.169 20 0 FGADHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(-n3cccn3)c2)c(C)c1 ZINC000055589799 494367899 /nfs/dbraw/zinc/36/78/99/494367899.db2.gz NVEOHSJNEUKZSD-UHFFFAOYSA-N -1 3 357.435 3.299 20 0 FGADHM CCCNC(=O)Cc1nc(=O)c2c(-c3ccc(C)c(C)c3)csc2[n-]1 ZINC000073478361 494375573 /nfs/dbraw/zinc/37/55/73/494375573.db2.gz CFGJJXCRHUNCAK-UHFFFAOYSA-N -1 3 355.463 3.337 20 0 FGADHM Cc1ccc(C(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)c(C)c1 ZINC000016112053 494377900 /nfs/dbraw/zinc/37/79/00/494377900.db2.gz DJTHPZNPPJHUPU-UHFFFAOYSA-N -1 3 352.434 3.500 20 0 FGADHM O=C(NCc1ccc([O-])c(Br)c1)c1scnc1C1CC1 ZINC000089857088 494383613 /nfs/dbraw/zinc/38/36/13/494383613.db2.gz FYGTZJGHEZMQML-UHFFFAOYSA-N -1 3 353.241 3.419 20 0 FGADHM CCCNC(=O)[C@@H](C)Sc1n[n-]c(COc2ccc(Cl)cc2)n1 ZINC000045485383 494432693 /nfs/dbraw/zinc/43/26/93/494432693.db2.gz ALTFZWSTSRADCM-SNVBAGLBSA-N -1 3 354.863 3.044 20 0 FGADHM CC(C)Oc1ncccc1C[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000056068881 494449850 /nfs/dbraw/zinc/44/98/50/494449850.db2.gz FULIZBMHWMPKQT-UHFFFAOYSA-N -1 3 358.822 3.140 20 0 FGADHM Cc1noc(C)c1S(=O)(=O)[N-]Cc1cccc(OCc2ccccc2)c1 ZINC000056073703 494450058 /nfs/dbraw/zinc/45/00/58/494450058.db2.gz OQEIYZYXUSEYKG-UHFFFAOYSA-N -1 3 372.446 3.349 20 0 FGADHM CC(C)Oc1ncccc1C[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000056068846 494450273 /nfs/dbraw/zinc/45/02/73/494450273.db2.gz XUBFLNGMLPLDDC-UHFFFAOYSA-N -1 3 358.822 3.140 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)[C@H]1CCCO1 ZINC000045811442 494466086 /nfs/dbraw/zinc/46/60/86/494466086.db2.gz QGCCTABIJFISJF-LDYMZIIASA-N -1 3 357.781 3.205 20 0 FGADHM CN(C)[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1Cl)c1ccccc1 ZINC000074012333 494466542 /nfs/dbraw/zinc/46/65/42/494466542.db2.gz UQLBHVBBIGNOTC-OAHLLOKOSA-N -1 3 356.850 3.060 20 0 FGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C)CN(C)C(C)C)c1Cl ZINC000568567330 505723508 /nfs/dbraw/zinc/72/35/08/505723508.db2.gz ORKSHLAQNYGNPT-NSHDSACASA-N -1 3 353.315 3.309 20 0 FGADHM CS(=O)(=O)[N-]c1ccc(C(=O)N2CCC[C@@H]2c2cccs2)cc1 ZINC000021032543 494486565 /nfs/dbraw/zinc/48/65/65/494486565.db2.gz NHXGIRXWUHMMNI-CQSZACIVSA-N -1 3 350.465 3.097 20 0 FGADHM COC[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1)c1ccc(F)c(F)c1 ZINC000091056493 494520730 /nfs/dbraw/zinc/52/07/30/494520730.db2.gz PVPUSDSDDSXTLE-OAHLLOKOSA-N -1 3 361.797 3.284 20 0 FGADHM C[C@H]1Oc2ccccc2[C@@H]1[N-]S(=O)(=O)Cc1cc(Cl)ccc1F ZINC000571410713 505726873 /nfs/dbraw/zinc/72/68/73/505726873.db2.gz KQTQJSIRQKJZTJ-QLJPJBMISA-N -1 3 355.818 3.421 20 0 FGADHM COCCCNC(=O)[C@H](C)Sc1nnc([N-]c2ccccc2F)s1 ZINC000023210260 494556274 /nfs/dbraw/zinc/55/62/74/494556274.db2.gz VLXMTPFMKGSWRL-JTQLQIEISA-N -1 3 370.475 3.054 20 0 FGADHM Cc1ccc(C(=O)N2CCN(CCOc3ccc(Cl)cc3)CC2)c([O-])c1 ZINC000023642288 494574469 /nfs/dbraw/zinc/57/44/69/494574469.db2.gz FNVWDTRTKBWAOR-UHFFFAOYSA-N -1 3 374.868 3.191 20 0 FGADHM O=C(NCCNC(=O)c1ccc([O-])cc1)Nc1ccc(Cl)c(Cl)c1 ZINC000046851170 494574650 /nfs/dbraw/zinc/57/46/50/494574650.db2.gz LMVRUGSYGHBRHF-UHFFFAOYSA-N -1 3 368.220 3.251 20 0 FGADHM CC(C)CNC(=O)c1ccc([N-]S(=O)(=O)CCC2CC2)cc1Cl ZINC000092264684 494578497 /nfs/dbraw/zinc/57/84/97/494578497.db2.gz ZRUSYDICSWUPKI-UHFFFAOYSA-N -1 3 358.891 3.268 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)NCCCc2c[nH]c3ccccc23)c1 ZINC000107774434 494600239 /nfs/dbraw/zinc/60/02/39/494600239.db2.gz MDNVWALFCRXLSM-UHFFFAOYSA-N -1 3 351.406 3.195 20 0 FGADHM COc1ccc(CC(=O)Nc2ccc(Br)cc2[O-])cc1OC ZINC000126044457 494616566 /nfs/dbraw/zinc/61/65/66/494616566.db2.gz MDFHNMCACKOYNJ-UHFFFAOYSA-N -1 3 366.211 3.353 20 0 FGADHM CC[C@@H](CCO)C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000121157890 494622396 /nfs/dbraw/zinc/62/23/96/494622396.db2.gz MOXUEPUDXBSLNK-VIFPVBQESA-N -1 3 359.797 3.046 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-][C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000121169690 494629428 /nfs/dbraw/zinc/62/94/28/494629428.db2.gz FXQGMAOFNHDOSO-CABCVRRESA-N -1 3 351.493 3.446 20 0 FGADHM Cc1ccc([O-])c(CN2CCCN(C(=O)c3ccccc3Cl)CC2)n1 ZINC000092452695 494630331 /nfs/dbraw/zinc/63/03/31/494630331.db2.gz ORPXFGOQAASZON-UHFFFAOYSA-N -1 3 359.857 3.097 20 0 FGADHM COC(=O)C[C@@H]([N-]S(=O)(=O)c1cc(C)sc1C)c1cccs1 ZINC000024486048 494635779 /nfs/dbraw/zinc/63/57/79/494635779.db2.gz AKJBTINQHXPJNT-LLVKDONJSA-N -1 3 359.494 3.009 20 0 FGADHM [O-]c1nnn(-c2ccccc2)c1CN1CCC(OCc2ccccc2)CC1 ZINC000057085634 494640883 /nfs/dbraw/zinc/64/08/83/494640883.db2.gz QGFATGRPRPSOKA-UHFFFAOYSA-N -1 3 364.449 3.154 20 0 FGADHM CC(C)CC[C@](C)(O)CNC(=O)NCc1ccc([O-])c(Br)c1 ZINC000126118826 494641945 /nfs/dbraw/zinc/64/19/45/494641945.db2.gz BQRMQQDFEIHUGO-INIZCTEOSA-N -1 3 373.291 3.141 20 0 FGADHM COc1ccc(Cl)cc1NC(=O)CC[S@](=O)c1ccc([O-])cc1 ZINC000108083197 494643627 /nfs/dbraw/zinc/64/36/27/494643627.db2.gz UEFBXIILDUGYMS-HSZRJFAPSA-N -1 3 353.827 3.191 20 0 FGADHM CCN(CCO)Cc1nc(=O)c2c([n-]1)sc(C)c2-c1ccc(C)cc1 ZINC000024671942 494652470 /nfs/dbraw/zinc/65/24/70/494652470.db2.gz HWVXMKVOHPVYAM-UHFFFAOYSA-N -1 3 357.479 3.083 20 0 FGADHM COc1ccc(C(=O)Nc2cccc(-c3nc(C)cc(=O)[n-]3)c2)c(F)c1 ZINC000108153827 494653024 /nfs/dbraw/zinc/65/30/24/494653024.db2.gz BJJNZPUTCAIZPO-UHFFFAOYSA-N -1 3 353.353 3.145 20 0 FGADHM CC(C)[C@H]1CC[C@@H](C)C[C@H]1NC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000057143146 494655273 /nfs/dbraw/zinc/65/52/73/494655273.db2.gz GMMJULCOXYCANA-KBRIMQKVSA-N -1 3 352.500 3.249 20 0 FGADHM CC(C)CCS(=O)(=O)[N-][C@H](C)c1noc(-c2ccc(Cl)cc2)n1 ZINC000080279543 494661977 /nfs/dbraw/zinc/66/19/77/494661977.db2.gz LEQJTNKPHOUQNU-LLVKDONJSA-N -1 3 357.863 3.417 20 0 FGADHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)COc3ccc(C)c(C)c3)c2)n1 ZINC000047317992 494678855 /nfs/dbraw/zinc/67/88/55/494678855.db2.gz WGXCQIHILNZEOV-UHFFFAOYSA-N -1 3 363.417 3.380 20 0 FGADHM COc1cc(Br)c(CN2C[C@@H](C)[C@@](C)(C(=O)[O-])C2)cc1OC ZINC000580337635 505735562 /nfs/dbraw/zinc/73/55/62/505735562.db2.gz LYUBKDAMYSDFEF-HWPZZCPQSA-N -1 3 372.259 3.009 20 0 FGADHM COc1ccc(CN2CCN(C(=O)c3cccc([O-])c3)CC2)cc1Cl ZINC000121337744 494708461 /nfs/dbraw/zinc/70/84/61/494708461.db2.gz OQJIFRZYQMHPSJ-UHFFFAOYSA-N -1 3 360.841 3.012 20 0 FGADHM COC(=O)c1cnc([N-]C(=O)c2cc(-c3ccccc3Cl)on2)s1 ZINC000047444109 494709810 /nfs/dbraw/zinc/70/98/10/494709810.db2.gz AGEQULSDTAIGEQ-UHFFFAOYSA-N -1 3 363.782 3.490 20 0 FGADHM COC(=O)c1csc([N-]C(=O)c2cc(-c3ccc4c(c3)CCO4)no2)c1 ZINC000126361120 494725334 /nfs/dbraw/zinc/72/53/34/494725334.db2.gz VLJZYAWYUBTURK-UHFFFAOYSA-N -1 3 370.386 3.377 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-][C@H](C)c2ccccc2-n2cccn2)c(F)c1 ZINC000131823217 494743212 /nfs/dbraw/zinc/74/32/12/494743212.db2.gz JYTJJYAUULHCBH-CQSZACIVSA-N -1 3 359.426 3.359 20 0 FGADHM CO[C@@H](C[N-]S(=O)(=O)c1cc(F)ccc1Cl)c1ccc(F)cc1 ZINC000080614077 494746058 /nfs/dbraw/zinc/74/60/58/494746058.db2.gz YYFUWKKJZYXQHO-AWEZNQCLSA-N -1 3 361.797 3.284 20 0 FGADHM CC[C@@H](c1ccc(Br)cc1)N1CCN(CCCC(=O)[O-])CC1 ZINC000116392846 494771531 /nfs/dbraw/zinc/77/15/31/494771531.db2.gz JLWYNXIDVWGSBO-INIZCTEOSA-N -1 3 369.303 3.383 20 0 FGADHM COc1cccc2sc([N-]C(=O)c3cnc(-c4ncccn4)s3)nc21 ZINC000121485033 494776102 /nfs/dbraw/zinc/77/61/02/494776102.db2.gz JXDSIDXGUSIFIQ-UHFFFAOYSA-N -1 3 369.431 3.471 20 0 FGADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N1CC[C@@H]1c1ccc(Cl)cc1 ZINC000075503971 494779365 /nfs/dbraw/zinc/77/93/65/494779365.db2.gz CYGDDQNGXNMWNL-OAHLLOKOSA-N -1 3 355.781 3.203 20 0 FGADHM Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)cc1C(=O)NC(C)C ZINC000108762505 494782389 /nfs/dbraw/zinc/78/23/89/494782389.db2.gz CATRJCPDZXQWSH-UHFFFAOYSA-N -1 3 364.442 3.382 20 0 FGADHM COc1cccc2c1CC[C@@H]2[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000131964031 494786650 /nfs/dbraw/zinc/78/66/50/494786650.db2.gz UNABABQMCGJOPV-AWEZNQCLSA-N -1 3 357.353 3.078 20 0 FGADHM COC(=O)c1sc([N-]C(=O)c2cc(-c3ccc(C)cc3)no2)nc1C ZINC000047903973 494790785 /nfs/dbraw/zinc/79/07/85/494790785.db2.gz HFRJVRSQCPDPPX-UHFFFAOYSA-N -1 3 357.391 3.454 20 0 FGADHM O=C(c1c([O-])cccc1O)N1CCC(CN2CCc3ccccc32)CC1 ZINC000092121696 494796120 /nfs/dbraw/zinc/79/61/20/494796120.db2.gz YJUUKQHIHCSGKB-UHFFFAOYSA-N -1 3 352.434 3.013 20 0 FGADHM Cc1ccc(C(=O)N2CCC(NC(=O)CC3CCCC3)CC2)c([O-])c1C ZINC000109020751 494822774 /nfs/dbraw/zinc/82/27/74/494822774.db2.gz NWBFIEJHDHHNLO-UHFFFAOYSA-N -1 3 358.482 3.310 20 0 FGADHM COC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)c2ccccc2)c(Cl)c1 ZINC000116608074 494824595 /nfs/dbraw/zinc/82/45/95/494824595.db2.gz QCOVZDGYFJJXEL-UHFFFAOYSA-N -1 3 367.854 3.340 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]c2cc(C(N)=O)ccc2Cl)c(Cl)c1 ZINC000026541532 494831520 /nfs/dbraw/zinc/83/15/20/494831520.db2.gz JWDLOQJFXXTFHX-UHFFFAOYSA-N -1 3 359.234 3.202 20 0 FGADHM Cn1ncc2c1CCC[C@H]2[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000026850105 494841355 /nfs/dbraw/zinc/84/13/55/494841355.db2.gz RQYANYWDYHBHPU-GFCCVEGCSA-N -1 3 360.266 3.083 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]c2cccc(C[S@](C)=O)c2C)cc1C ZINC000116712203 494842401 /nfs/dbraw/zinc/84/24/01/494842401.db2.gz PFECGYKXVBGPKZ-JOCHJYFZSA-N -1 3 351.493 3.291 20 0 FGADHM O=C(NCc1cccc(Cn2ccnc2)c1)c1cc2c(cc1[O-])CCCC2 ZINC000109190860 494843352 /nfs/dbraw/zinc/84/33/52/494843352.db2.gz XQEGPBQLVPHLAT-UHFFFAOYSA-N -1 3 361.445 3.446 20 0 FGADHM Cc1ccc(C(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)c([O-])c1 ZINC000121735253 494848300 /nfs/dbraw/zinc/84/83/00/494848300.db2.gz XGKTZFKRHZIIAV-UHFFFAOYSA-N -1 3 364.445 3.398 20 0 FGADHM CCOc1ccc([C@@H](C)NC(=O)CCNC(=O)c2ccc(C)cc2[O-])cc1 ZINC000116773351 494850694 /nfs/dbraw/zinc/85/06/94/494850694.db2.gz 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/nfs/dbraw/zinc/88/89/12/494888912.db2.gz SGIFYOOXKHVMSY-UHFFFAOYSA-N -1 3 364.243 3.029 20 0 FGADHM CC(=O)c1cccc(NC(=O)[C@@H](C)Sc2n[n-]c(-c3ccccn3)n2)c1 ZINC000117113611 494891560 /nfs/dbraw/zinc/89/15/60/494891560.db2.gz YGELVUSIJDTWGU-GFCCVEGCSA-N -1 3 367.434 3.189 20 0 FGADHM CCN(Cc1ccccc1)C(=O)[C@@H](C)Sc1n[n-]c(-c2ccccn2)n1 ZINC000117112571 494892008 /nfs/dbraw/zinc/89/20/08/494892008.db2.gz RMIORBZNHPPYKO-CQSZACIVSA-N -1 3 367.478 3.396 20 0 FGADHM CCCC[C@@H](Sc1n[n-]c(-c2ccccn2)n1)C(=O)Nc1cc(C)on1 ZINC000117114129 494892360 /nfs/dbraw/zinc/89/23/60/494892360.db2.gz JELAVMFBQWTJBW-CYBMUJFWSA-N -1 3 372.454 3.453 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)C3CC3)c2)c(C)c1C ZINC000117227892 494901884 /nfs/dbraw/zinc/90/18/84/494901884.db2.gz HTZLSKKGVJNMNC-UHFFFAOYSA-N -1 3 374.462 3.461 20 0 FGADHM CCn1ncc2ccc([N-]S(=O)(=O)c3ccc(OC)c(C)c3C)cc21 ZINC000117229124 494902327 /nfs/dbraw/zinc/90/23/27/494902327.db2.gz IBBVIRWNOZXAFS-UHFFFAOYSA-N -1 3 359.451 3.482 20 0 FGADHM 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495079962 /nfs/dbraw/zinc/07/99/62/495079962.db2.gz AZDDKUFVBITJSV-JTQLQIEISA-N -1 3 370.858 3.253 20 0 FGADHM CCc1cc(NC(=O)c2n[n-]c(-c3ccccc3)c2Br)n[nH]1 ZINC000123136739 495086323 /nfs/dbraw/zinc/08/63/23/495086323.db2.gz JBAFNPXZDLVYEH-UHFFFAOYSA-N -1 3 360.215 3.377 20 0 FGADHM CCc1cc(NC(=O)c2[n-]nc(-c3ccccc3)c2Br)n[nH]1 ZINC000123136739 495086328 /nfs/dbraw/zinc/08/63/28/495086328.db2.gz JBAFNPXZDLVYEH-UHFFFAOYSA-N -1 3 360.215 3.377 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H]2CC(=O)c2ccccc2)c1 ZINC000123169625 495091125 /nfs/dbraw/zinc/09/11/25/495091125.db2.gz UWSLZRIGQFAOOZ-QGZVFWFLSA-N -1 3 366.417 3.228 20 0 FGADHM COc1cccc(C(=O)NCCc2coc(-c3ccc(F)cc3)n2)c1[O-] ZINC000101682756 495091161 /nfs/dbraw/zinc/09/11/61/495091161.db2.gz KNYUHGQLALSGSB-UHFFFAOYSA-N -1 3 356.353 3.167 20 0 FGADHM CC(C)Cc1ccc(C(=O)N2CCN(C(=O)c3cccc([O-])c3)CC2)cc1 ZINC000101679290 495091265 /nfs/dbraw/zinc/09/12/65/495091265.db2.gz WGNDKRNOBPAJQD-UHFFFAOYSA-N -1 3 366.461 3.189 20 0 FGADHM Cc1ccc([O-])c(C(=O)N2CCC[C@H](C3N=NC(=S)N3C(C)C)C2)c1 ZINC000111657732 495092604 /nfs/dbraw/zinc/09/26/04/495092604.db2.gz CHKOFJRPNXWUBG-ZDUSSCGKSA-N -1 3 360.483 3.182 20 0 FGADHM Cc1cc(Cl)ccc1NC(=O)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000101736056 495094363 /nfs/dbraw/zinc/09/43/63/495094363.db2.gz ONGVQQDHACBBRL-UHFFFAOYSA-N -1 3 373.840 3.344 20 0 FGADHM CC[C@@H](C[N-]S(=O)(=O)c1sccc1OC)Oc1ccccc1F ZINC000123228460 495099770 /nfs/dbraw/zinc/09/97/70/495099770.db2.gz FNPMBBVSQQACMD-NSHDSACASA-N -1 3 359.444 3.032 20 0 FGADHM Cc1ccc([C@@H](C[N-]S(=O)(=O)c2cc3ccccc3o2)N2CCCC2)o1 ZINC000134094752 495105255 /nfs/dbraw/zinc/10/52/55/495105255.db2.gz NJHMUBMKAJEKSQ-MRXNPFEDSA-N -1 3 374.462 3.450 20 0 FGADHM CCOC(=O)Cc1nnc([N-]C(=O)c2c(Cl)cccc2Cl)s1 ZINC000128556484 495115709 /nfs/dbraw/zinc/11/57/09/495115709.db2.gz RNFKGIIBBDCGRQ-UHFFFAOYSA-N -1 3 360.222 3.203 20 0 FGADHM CC[C@@H](C)[C@](C)(O)C[N-]S(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000119244445 495126351 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Cc1cc(F)cc2c(=O)c(C(=O)NCCC[C@@H]3CCCC[C@@H]3O)c[n-]c12 ZINC000134472351 495154869 /nfs/dbraw/zinc/15/48/69/495154869.db2.gz RQKZJYWJICRENB-GUYCJALGSA-N -1 3 360.429 3.037 20 0 FGADHM CC[C@H](C)[C@@H](O)C[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000119384215 495155746 /nfs/dbraw/zinc/15/57/46/495155746.db2.gz DHVKYOOKTFXPDW-KWQFWETISA-N -1 3 359.797 3.044 20 0 FGADHM Cc1ccc([O-])c(C(=O)N[C@@H](c2nc(-c3cccnc3)no2)C(C)C)c1 ZINC000102726566 495157213 /nfs/dbraw/zinc/15/72/13/495157213.db2.gz CCBDUCSXYNSWQC-MRXNPFEDSA-N -1 3 352.394 3.273 20 0 FGADHM CC(C)CC(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1ccc([O-])cc1F ZINC000119407232 495161173 /nfs/dbraw/zinc/16/11/73/495161173.db2.gz RDSODCYKTJUPML-IBGZPJMESA-N -1 3 370.424 3.469 20 0 FGADHM O=C([N-]c1nc(-c2ccc(-n3cccn3)cc2)cs1)c1cnns1 ZINC000112265221 495163779 /nfs/dbraw/zinc/16/37/79/495163779.db2.gz MYIIQHFLAYJSLW-UHFFFAOYSA-N -1 3 354.420 3.100 20 0 FGADHM CC[C@H](OC1CCCCC1)C(=O)N(C)Cc1nc2ccsc2c(=O)[n-]1 ZINC000119488043 495175465 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FGADHM Cc1nc(C)c(CCC(=O)N(C)[C@H](C)Cc2ccc(Cl)cc2)c(=O)[n-]1 ZINC000134989075 495235213 /nfs/dbraw/zinc/23/52/13/495235213.db2.gz HJOMMKMZDOLHJK-GFCCVEGCSA-N -1 3 361.873 3.062 20 0 FGADHM C[C@@]1(c2cccc(NC(=O)C[C@@H]3CCCC(C)(C)C3)c2)NC(=O)[N-]C1=O ZINC000119764354 495235786 /nfs/dbraw/zinc/23/57/86/495235786.db2.gz ZPJZTDZMGKGEBU-RBZFPXEDSA-N -1 3 357.454 3.286 20 0 FGADHM CC(C)C[C@@H](CCO)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000124122468 495237024 /nfs/dbraw/zinc/23/70/24/495237024.db2.gz IGVZZMRSUADFDC-LLVKDONJSA-N -1 3 354.299 3.316 20 0 FGADHM O=c1nc(-c2cccc(-n3cccn3)n2)[n-]c2sc3c(c21)CCSC3 ZINC000129393734 495239171 /nfs/dbraw/zinc/23/91/71/495239171.db2.gz RMHCZLDQONVNKH-UHFFFAOYSA-N -1 3 367.459 3.022 20 0 FGADHM CC(C)S(=O)(=O)c1ccccc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000129432510 495245145 /nfs/dbraw/zinc/24/51/45/495245145.db2.gz KPTQQWSGZMNTMC-UHFFFAOYSA-N -1 3 353.827 3.480 20 0 FGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2cccc(C)c2F)cc1OC ZINC000129443706 495245820 /nfs/dbraw/zinc/24/58/20/495245820.db2.gz ONUXMVGKWVWRCA-UHFFFAOYSA-N -1 3 366.414 3.157 20 0 FGADHM Cn1ccnc1-c1cc(NC(=O)C(C)(C)Oc2cccc(Cl)c2)n[n-]1 ZINC000119858622 495255966 /nfs/dbraw/zinc/25/59/66/495255966.db2.gz VRNSNTGHICTGMS-UHFFFAOYSA-N -1 3 359.817 3.260 20 0 FGADHM Cn1ccnc1-c1cc(NC(=O)C(C)(C)Oc2cccc(Cl)c2)[n-]n1 ZINC000119858622 495255968 /nfs/dbraw/zinc/25/59/68/495255968.db2.gz VRNSNTGHICTGMS-UHFFFAOYSA-N -1 3 359.817 3.260 20 0 FGADHM O=C(Nc1ccc(Br)cc1[O-])c1cc(F)cc2nc[nH]c21 ZINC000129528242 495258036 /nfs/dbraw/zinc/25/80/36/495258036.db2.gz LWYCTAPFEHLXIU-UHFFFAOYSA-N -1 3 350.147 3.422 20 0 FGADHM O=C(Nc1ccc(Br)cc1[O-])c1cc(F)cc2[nH]cnc21 ZINC000129528242 495258040 /nfs/dbraw/zinc/25/80/40/495258040.db2.gz LWYCTAPFEHLXIU-UHFFFAOYSA-N -1 3 350.147 3.422 20 0 FGADHM COC(=O)c1c(C)csc1[N-]C(=O)c1nn(-c2ccccc2)cc1OC ZINC000580494764 505770901 /nfs/dbraw/zinc/77/09/01/505770901.db2.gz IVRFVJOPMQIHAP-UHFFFAOYSA-N -1 3 371.418 3.290 20 0 FGADHM O=C([N-]c1nnc(C(F)F)s1)c1c[nH]nc1-c1c(F)cccc1F ZINC000135214006 495264078 /nfs/dbraw/zinc/26/40/78/495264078.db2.gz QYBRABPJUQGTNX-UHFFFAOYSA-N -1 3 357.292 3.396 20 0 FGADHM COc1nn(C)c2nc(C)c(CCC(=O)Nc3ccc([O-])cc3F)c(C)c12 ZINC000124315387 495268112 /nfs/dbraw/zinc/26/81/12/495268112.db2.gz QUDYJIRRUMAHEJ-UHFFFAOYSA-N -1 3 372.400 3.010 20 0 FGADHM CC(C)c1nn(C)c2sc(C(=O)[N-]c3nc4ccc(F)cn4n3)cc12 ZINC000129782334 495295320 /nfs/dbraw/zinc/29/53/20/495295320.db2.gz CMGBGUFWQIZWCZ-UHFFFAOYSA-N -1 3 358.402 3.192 20 0 FGADHM COc1cc(-c2noc(-c3cccc(S(=O)(=O)C(C)C)c3)n2)ccc1[O-] ZINC000574437631 505773287 /nfs/dbraw/zinc/77/32/87/505773287.db2.gz FJQUBCUNTOFAED-UHFFFAOYSA-N -1 3 374.418 3.300 20 0 FGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]CCc3nccs3)s2)cs1 ZINC000120090490 495304877 /nfs/dbraw/zinc/30/48/77/495304877.db2.gz XLNPHXFPAWGPTM-UHFFFAOYSA-N -1 3 371.534 3.158 20 0 FGADHM CS(=O)(=O)c1cc(C(=O)Nc2cc(C(F)(F)F)ccc2[O-])cs1 ZINC000129872411 495308197 /nfs/dbraw/zinc/30/81/97/495308197.db2.gz 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495360591 /nfs/dbraw/zinc/36/05/91/495360591.db2.gz ATJLDIULHFCDBZ-UHFFFAOYSA-N -1 3 354.406 3.198 20 0 FGADHM CCC[C@H]1CCc2nc(NC(=O)CCc3c(C)nc(C)[n-]c3=O)sc2C1 ZINC000124898232 495361585 /nfs/dbraw/zinc/36/15/85/495361585.db2.gz CPPZVXDIXMRCEH-ZDUSSCGKSA-N -1 3 374.510 3.320 20 0 FGADHM Cc1cc(C)c2c(=O)[n-]c(SCc3cccc(C(=O)N(C)C)c3)nc2n1 ZINC000124934145 495366479 /nfs/dbraw/zinc/36/64/79/495366479.db2.gz DJZWCIWBYLVOLA-UHFFFAOYSA-N -1 3 368.462 3.341 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]c2ccc(NC(=O)NC3CC3)cc2)ccc1F ZINC000105590101 495374356 /nfs/dbraw/zinc/37/43/56/495374356.db2.gz BMXOTFMJKLTDJU-UHFFFAOYSA-N -1 3 363.414 3.219 20 0 FGADHM CN(C(=O)c1c([O-])cccc1F)c1ccc(OCCN2CCCC2)cc1 ZINC000130335624 495375638 /nfs/dbraw/zinc/37/56/38/495375638.db2.gz JRGDBKHQSUJUTC-UHFFFAOYSA-N -1 3 358.413 3.283 20 0 FGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@@H](C)c2ccccn2)cc1Cl ZINC000105615949 495377257 /nfs/dbraw/zinc/37/72/57/495377257.db2.gz PJDUNHWDNBMLHY-VIFPVBQESA-N -1 3 361.250 3.437 20 0 FGADHM O=c1cc(CN2CCCC[C@H]2CCCc2ccccc2)nc2cc[n-]n21 ZINC000125081686 495387632 /nfs/dbraw/zinc/38/76/32/495387632.db2.gz YFPVGRBWHVHEBN-IBGZPJMESA-N -1 3 350.466 3.400 20 0 FGADHM COc1ccc([O-])c(C(=O)Nc2ccc(C(=O)N3CCCC3)cc2C)c1 ZINC000130551664 495409390 /nfs/dbraw/zinc/40/93/90/495409390.db2.gz IJSAZFARHBDWGX-UHFFFAOYSA-N -1 3 354.406 3.198 20 0 FGADHM Cc1onc(-c2ccccn2)c1C(=O)[N-]c1nc2c(s1)C(=O)CCC2 ZINC000137191738 495429366 /nfs/dbraw/zinc/42/93/66/495429366.db2.gz QINIBSQLQRSTMU-UHFFFAOYSA-N -1 3 354.391 3.273 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N3CC[C@@H](Nc4ccccc4)C3)c[n-]c12 ZINC000130699177 495431334 /nfs/dbraw/zinc/43/13/34/495431334.db2.gz PECPYGCRDWATSL-MRXNPFEDSA-N -1 3 365.408 3.302 20 0 FGADHM COc1cc(C(=O)N[C@@H](C)c2cn(C(C)(C)C)nc2C)cc(OC)c1[O-] ZINC000137318407 495437246 /nfs/dbraw/zinc/43/72/46/495437246.db2.gz YRQUJCUFBXAXNX-NSHDSACASA-N -1 3 361.442 3.160 20 0 FGADHM Cc1nn2c(nnc2SCc2nc3ccccc3c(C)c2Cl)[n-]c1=O ZINC000106404581 495452510 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O=C(NCc1ccc([O-])c(F)c1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000121007513 495502446 /nfs/dbraw/zinc/50/24/46/495502446.db2.gz KFVKYXFLZPWGIQ-UHFFFAOYSA-N -1 3 357.168 3.093 20 0 FGADHM COc1cc(C)cc(C(=O)Nc2ccc3c(c2)CCCN3C(C)=O)c1[O-] ZINC000106913816 495512227 /nfs/dbraw/zinc/51/22/27/495512227.db2.gz QUHIQAPCFOTLNK-UHFFFAOYSA-N -1 3 354.406 3.261 20 0 FGADHM C[C@@H]1CC[C@H](CC(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)C1 ZINC000131305521 495519672 /nfs/dbraw/zinc/51/96/72/495519672.db2.gz CHZPZWAETWFZDF-NEPJUHHUSA-N -1 3 354.447 3.031 20 0 FGADHM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(Cl)ccc2F)c1 ZINC000115631617 495521657 /nfs/dbraw/zinc/52/16/57/495521657.db2.gz AHBHLYUFGNHCDO-UHFFFAOYSA-N -1 3 357.790 3.375 20 0 FGADHM Cc1cc(C(=O)Nc2cccc(-c3nnn[n-]3)c2)cc(C)c1OC(F)F ZINC000107542747 495528859 /nfs/dbraw/zinc/52/88/59/495528859.db2.gz GRPHMOAXJSRXDP-UHFFFAOYSA-N -1 3 359.336 3.337 20 0 FGADHM Cc1cc(C(=O)Nc2cccc(-c3nn[n-]n3)c2)cc(C)c1OC(F)F ZINC000107542747 495528860 /nfs/dbraw/zinc/52/88/60/495528860.db2.gz GRPHMOAXJSRXDP-UHFFFAOYSA-N -1 3 359.336 3.337 20 0 FGADHM COc1cccc(C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)c1[O-] ZINC000154214365 495546729 /nfs/dbraw/zinc/54/67/29/495546729.db2.gz AUGAALXKDLYHJW-UHFFFAOYSA-N -1 3 374.868 3.449 20 0 FGADHM CC(C)CC(=O)NCCc1ccc(S(=O)(=O)[N-]C[C@H](C)C(C)C)s1 ZINC000179377064 495567334 /nfs/dbraw/zinc/56/73/34/495567334.db2.gz SOJMOGPQGZOOHO-AWEZNQCLSA-N -1 3 374.572 3.023 20 0 FGADHM O=C(Nc1ccc(-n2cncn2)nc1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000179383466 495569230 /nfs/dbraw/zinc/56/92/30/495569230.db2.gz NLDWZUHONYZTQQ-UHFFFAOYSA-N -1 3 373.372 3.413 20 0 FGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCCc2occc21 ZINC000158705024 495571722 /nfs/dbraw/zinc/57/17/22/495571722.db2.gz RHFFUYLEZOMEFA-CYBMUJFWSA-N -1 3 369.826 3.076 20 0 FGADHM O=C(Nc1ccc(Br)cc1[O-])c1cc(N2CCCC2)ccn1 ZINC000574512987 505789979 /nfs/dbraw/zinc/78/99/79/505789979.db2.gz YSMYJDNMQSBRBF-UHFFFAOYSA-N -1 3 362.227 3.402 20 0 FGADHM CO[C@H](CNC(=O)c1c[n-]c2ccccc2c1=O)c1cccc(Cl)c1 ZINC000173537950 495579695 /nfs/dbraw/zinc/57/96/95/495579695.db2.gz UQQXZDLMQVMSAY-QGZVFWFLSA-N -1 3 356.809 3.299 20 0 FGADHM COCCOc1cc(C)ccc1CNC(=O)Cc1ccc([O-])cc1Cl ZINC000158804262 495591837 /nfs/dbraw/zinc/59/18/37/495591837.db2.gz YRIAHQABLNETQM-UHFFFAOYSA-N -1 3 363.841 3.238 20 0 FGADHM C[C@H](NC(=O)CN1CC[C@H](C)[C@H](C(=O)[O-])C1)c1ccc2ccccc2c1 ZINC000574518479 505791220 /nfs/dbraw/zinc/79/12/20/505791220.db2.gz KEEUTUOSFUCCRM-YZVOILCLSA-N -1 3 354.450 3.060 20 0 FGADHM CC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C(=O)OC)c1nccs1 ZINC000158853824 495602227 /nfs/dbraw/zinc/60/22/27/495602227.db2.gz FZCUAFJAPJBMKL-LLVKDONJSA-N -1 3 374.871 3.013 20 0 FGADHM C[C@H](NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)c1ccc(-c2ccncc2)cc1 ZINC000173598762 495606518 /nfs/dbraw/zinc/60/65/18/495606518.db2.gz HGVPWHCHUPLAPH-ZDUSSCGKSA-N -1 3 371.396 3.123 20 0 FGADHM O=S(=O)([N-]c1c(F)cccc1CO)c1ccc(F)c(C(F)(F)F)c1 ZINC000158901698 495612585 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O=C(Nc1cc(Br)ccc1[O-])c1ccc2c(c1)OCCO2 ZINC000176438763 495650604 /nfs/dbraw/zinc/65/06/04/495650604.db2.gz MGYLBHXWBWUPIW-UHFFFAOYSA-N -1 3 350.168 3.178 20 0 FGADHM COc1cc(C(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)ccc1F ZINC000150864671 495661136 /nfs/dbraw/zinc/66/11/36/495661136.db2.gz ULUNWFRMRAYKKJ-UHFFFAOYSA-N -1 3 353.353 3.145 20 0 FGADHM CC[C@@H]([N-]S(=O)(=O)c1c(C)nn(CC(C)C)c1C)c1nccs1 ZINC000182683401 495663727 /nfs/dbraw/zinc/66/37/27/495663727.db2.gz JQZLKKANMIBMHX-CYBMUJFWSA-N -1 3 356.517 3.042 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-][C@@H]1CCCC[C@H]1OCCC(C)C ZINC000154596276 495666706 /nfs/dbraw/zinc/66/67/06/495666706.db2.gz QGNJXQITCHBHCY-ZIAGYGMSSA-N -1 3 361.529 3.409 20 0 FGADHM Cc1nc(C)c(CCC(=O)Nc2ccc3cccc(Cl)c3n2)c(=O)[n-]1 ZINC000182705436 495670648 /nfs/dbraw/zinc/67/06/48/495670648.db2.gz HSZJFSBPHWOSGN-UHFFFAOYSA-N -1 3 356.813 3.160 20 0 FGADHM COc1cc(C(=O)N[C@H](C)Cc2nc3ccccc3s2)cc(OC)c1[O-] ZINC000150896493 495672270 /nfs/dbraw/zinc/67/22/70/495672270.db2.gz UCKUBUGLZRTOJH-LLVKDONJSA-N -1 3 372.446 3.380 20 0 FGADHM CC(C)n1cc(Br)cc1C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000173747086 495674998 /nfs/dbraw/zinc/67/49/98/495674998.db2.gz QHDWUWFPEFARSV-UHFFFAOYSA-N -1 3 366.141 3.221 20 0 FGADHM CC(C)n1cc(Br)cc1C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000173747086 495675005 /nfs/dbraw/zinc/67/50/05/495675005.db2.gz QHDWUWFPEFARSV-UHFFFAOYSA-N -1 3 366.141 3.221 20 0 FGADHM CCCCc1ccc(NC(=O)c2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)cc1 ZINC000159170545 495675524 /nfs/dbraw/zinc/67/55/24/495675524.db2.gz XRNKNSRALTUCLQ-NRFANRHFSA-N -1 3 365.433 3.336 20 0 FGADHM O=C(Nc1cc(F)ccc1[O-])[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000179647628 495675907 /nfs/dbraw/zinc/67/59/07/495675907.db2.gz PQWJQRXDTHKRTO-CYBMUJFWSA-N -1 3 357.385 3.414 20 0 FGADHM CCN(CCc1nccs1)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000159193142 495680250 /nfs/dbraw/zinc/68/02/50/495680250.db2.gz UCSMVDSSMFMSOW-UHFFFAOYSA-N -1 3 354.435 3.190 20 0 FGADHM O=C(NCCC1=CCCCCC1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000185724435 495698510 /nfs/dbraw/zinc/69/85/10/495698510.db2.gz NBSLMCGLVLUUOE-SFHVURJKSA-N -1 3 356.466 3.394 20 0 FGADHM CCCC(=O)NC[C@H]1CCCN(C(=O)c2ccc3c(c2[O-])CCCC3)C1 ZINC000185747893 495709135 /nfs/dbraw/zinc/70/91/35/495709135.db2.gz CIWDYMXMKWZLFF-OAHLLOKOSA-N -1 3 358.482 3.040 20 0 FGADHM Cc1c([O-])ccc2c(CN[C@H](CCCO)c3ccccc3)cc(=O)oc12 ZINC000179741800 495713198 /nfs/dbraw/zinc/71/31/98/495713198.db2.gz QESKSTJRHNNVPF-GOSISDBHSA-N -1 3 353.418 3.410 20 0 FGADHM O=C([N-]c1cccn(CC(F)(F)F)c1=O)c1c(F)cc(F)cc1F ZINC000159348305 495713809 /nfs/dbraw/zinc/71/38/09/495713809.db2.gz QCNGKUULIJIYJA-UHFFFAOYSA-N -1 3 350.218 3.080 20 0 FGADHM C[C@H](Sc1ncnn1C)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000185771647 495719986 /nfs/dbraw/zinc/71/99/86/495719986.db2.gz VKTITIPHXIUTCO-QMMMGPOBSA-N -1 3 359.436 3.226 20 0 FGADHM CO[C@@H](C)c1cccc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])c1 ZINC000171130489 495736330 /nfs/dbraw/zinc/73/63/30/495736330.db2.gz KFFAYABDJMWOFL-KBXCAEBGSA-N -1 3 368.433 3.343 20 0 FGADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000179802727 495739307 /nfs/dbraw/zinc/73/93/07/495739307.db2.gz GBMOEUJBIHVYLN-ROUUACIJSA-N -1 3 366.417 3.068 20 0 FGADHM C[C@H](C(=O)Nc1cc(Cc2ccccc2)ccc1[O-])N1CCSCC1 ZINC000179809637 495743169 /nfs/dbraw/zinc/74/31/69/495743169.db2.gz IHHKTOGXRCFWPV-OAHLLOKOSA-N -1 3 356.491 3.359 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)CCC(=O)c3cccs3)[n-]c21 ZINC000154867206 495755368 /nfs/dbraw/zinc/75/53/68/495755368.db2.gz GOGFPLWMFAERCX-UHFFFAOYSA-N -1 3 357.391 3.013 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)CCC(=O)c3cccs3)nc21 ZINC000154867206 495755374 /nfs/dbraw/zinc/75/53/74/495755374.db2.gz GOGFPLWMFAERCX-UHFFFAOYSA-N -1 3 357.391 3.013 20 0 FGADHM Cc1nc(C)c(CCC(=O)N2c3ccccc3S[C@@H](C)[C@H]2C)c(=O)[n-]1 ZINC000176709360 495757278 /nfs/dbraw/zinc/75/72/78/495757278.db2.gz RJRMZWYUVSDRAK-OLZOCXBDSA-N -1 3 357.479 3.235 20 0 FGADHM CC(=O)Nc1cccc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)c1 ZINC000154876257 495758449 /nfs/dbraw/zinc/75/84/49/495758449.db2.gz FSVLHRULTIUVMD-UHFFFAOYSA-N -1 3 353.353 3.186 20 0 FGADHM C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCCc2cccc([O-])c21 ZINC000182936611 495765817 /nfs/dbraw/zinc/76/58/17/495765817.db2.gz LCLPHXBDLUUANX-GFCCVEGCSA-N -1 3 358.825 3.143 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2C[C@H](C)CC[C@H]2C)c1 ZINC000182939246 495766581 /nfs/dbraw/zinc/76/65/81/495766581.db2.gz ZDCIAKQMBQBYFV-VXGBXAGGSA-N -1 3 357.410 3.202 20 0 FGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)COc2ccc(Cl)cc2)c1 ZINC000173971654 495769008 /nfs/dbraw/zinc/76/90/08/495769008.db2.gz FQCYUDPRDBGLJA-UHFFFAOYSA-N -1 3 368.842 3.037 20 0 FGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)c2cccc3ccc(C)nc32)c1 ZINC000173971978 495770649 /nfs/dbraw/zinc/77/06/49/495770649.db2.gz LDILZVVMIQWVOJ-UHFFFAOYSA-N -1 3 369.446 3.475 20 0 FGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)[C@@H](C)Cc2cccc(F)c2)c1 ZINC000173980431 495774130 /nfs/dbraw/zinc/77/41/30/495774130.db2.gz CPGSYNOCMPZFHI-ZDUSSCGKSA-N -1 3 364.442 3.323 20 0 FGADHM O=C(Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)[C@@H]1CCNC(=O)C1 ZINC000179932425 495788972 /nfs/dbraw/zinc/78/89/72/495788972.db2.gz DIZQCADFYUQERL-LLVKDONJSA-N -1 3 367.430 3.134 20 0 FGADHM O=C1[N-]C(=O)/C(=C/N[C@@H](c2ccccc2)c2cccnc2)c2ccccc21 ZINC000171261636 495793423 /nfs/dbraw/zinc/79/34/23/495793423.db2.gz BXGJQCNDPPKLKO-SSUIOBEFSA-N -1 3 355.397 3.072 20 0 FGADHM O=C(c1c[n-]c2ccccc2c1=O)N1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000185969604 495802252 /nfs/dbraw/zinc/80/22/52/495802252.db2.gz VYSXHXHFDDACQE-SFHVURJKSA-N -1 3 368.820 3.395 20 0 FGADHM Cc1cccc(S(=O)(=O)[N-]c2cc(C(N)=O)ccc2Cl)c1Cl ZINC000179967913 495804604 /nfs/dbraw/zinc/80/46/04/495804604.db2.gz JXQMVYHCVAXZGD-UHFFFAOYSA-N -1 3 359.234 3.202 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)Cc1cccc(F)c1)c1nc(C2CCCCC2)no1 ZINC000174067496 495808208 /nfs/dbraw/zinc/80/82/08/495808208.db2.gz PHIVSKDDMPWEMX-GFCCVEGCSA-N -1 3 367.446 3.437 20 0 FGADHM CC(C)OC1CCN(c2c(C(=O)[O-])cnc3cc4c(cc32)OCO4)CC1 ZINC000580649150 505805794 /nfs/dbraw/zinc/80/57/94/505805794.db2.gz OVCNFHNCSJALCS-UHFFFAOYSA-N -1 3 358.394 3.056 20 0 FGADHM CN(C)CC(=O)Nc1ccc(NC(=O)c2ccc3ccccc3c2[O-])cc1 ZINC000174102982 495821465 /nfs/dbraw/zinc/82/14/65/495821465.db2.gz IDWVEUXITPICEL-UHFFFAOYSA-N -1 3 363.417 3.298 20 0 FGADHM CCOCCOc1ccc(S(=O)(=O)[N-]c2cccc(C)c2F)cc1 ZINC000180015750 495823988 /nfs/dbraw/zinc/82/39/88/495823988.db2.gz ARRNTVFOFAJLNW-UHFFFAOYSA-N -1 3 353.415 3.350 20 0 FGADHM C[C@@H]1CCCCN1C(=O)c1ccc([N-]S(=O)(=O)C2CC2)cc1Cl ZINC000171336947 495827307 /nfs/dbraw/zinc/82/73/07/495827307.db2.gz DCKZYYAPBJJXHJ-LLVKDONJSA-N -1 3 356.875 3.259 20 0 FGADHM [O-]C(=NOCc1ccc(C(F)(F)F)cc1)Nc1cnn(CC(F)F)c1 ZINC000186041455 495833857 /nfs/dbraw/zinc/83/38/57/495833857.db2.gz YBMNLBQOLQKTES-UHFFFAOYSA-N -1 3 364.274 3.420 20 0 FGADHM O=C([N-]OCc1ccc(C(F)(F)F)cc1)Nc1cnn(CC(F)F)c1 ZINC000186041455 495833865 /nfs/dbraw/zinc/83/38/65/495833865.db2.gz YBMNLBQOLQKTES-UHFFFAOYSA-N -1 3 364.274 3.420 20 0 FGADHM O=C(NCC1(c2ccccc2Br)CC1)c1cccc2nn[n-]c21 ZINC000180059434 495840046 /nfs/dbraw/zinc/84/00/46/495840046.db2.gz SRVWDYGYYRWMMT-UHFFFAOYSA-N -1 3 371.238 3.182 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Br)c1ccccn1 ZINC000155119204 495844448 /nfs/dbraw/zinc/84/44/48/495844448.db2.gz REIHEXLZDBNSHJ-SECBINFHSA-N -1 3 359.220 3.023 20 0 FGADHM O=C(NCC1(c2ccccc2Br)CC1)c1cccc2[n-]nnc21 ZINC000180059434 495840048 /nfs/dbraw/zinc/84/00/48/495840048.db2.gz SRVWDYGYYRWMMT-UHFFFAOYSA-N -1 3 371.238 3.182 20 0 FGADHM O=C(NCC1(c2ccccc2Br)CC1)c1cccc2n[n-]nc21 ZINC000180059434 495840055 /nfs/dbraw/zinc/84/00/55/495840055.db2.gz SRVWDYGYYRWMMT-UHFFFAOYSA-N -1 3 371.238 3.182 20 0 FGADHM CCOC(=O)C[C@H]([N-]S(=O)(=O)c1cc(C)oc1C)c1ccc(F)cc1 ZINC000183122666 495844105 /nfs/dbraw/zinc/84/41/05/495844105.db2.gz ATFHUQLOZJNXMD-HNNXBMFYSA-N -1 3 369.414 3.008 20 0 FGADHM COCC1(CC[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)CCC1 ZINC000580661797 505808238 /nfs/dbraw/zinc/80/82/38/505808238.db2.gz GMBZTZVGEATNLC-UHFFFAOYSA-N -1 3 369.380 3.330 20 0 FGADHM CCOC(=O)c1cc(NC(=O)c2cnc(Cc3ccccc3F)s2)n[n-]1 ZINC000186151905 495875412 /nfs/dbraw/zinc/87/54/12/495875412.db2.gz RVIAHXWTTLPDNW-UHFFFAOYSA-N -1 3 374.397 3.025 20 0 FGADHM CCOC(=O)c1cc(NC(=O)c2cnc(Cc3ccccc3F)s2)[n-]n1 ZINC000186151905 495875418 /nfs/dbraw/zinc/87/54/18/495875418.db2.gz RVIAHXWTTLPDNW-UHFFFAOYSA-N -1 3 374.397 3.025 20 0 FGADHM O=C(c1ccccc1[O-])N1CCC[C@H]1C(=O)N1CCC2(C1)CCCCC2 ZINC000174238518 495877240 /nfs/dbraw/zinc/87/72/40/495877240.db2.gz NYTJVWZQHUYKAG-KRWDZBQOSA-N -1 3 356.466 3.180 20 0 FGADHM CCCC1(CNC(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])CC1 ZINC000183216507 495884329 /nfs/dbraw/zinc/88/43/29/495884329.db2.gz MYDSRWGOKILFCM-UHFFFAOYSA-N -1 3 357.410 3.251 20 0 FGADHM COc1ccccc1CC(=O)NCc1ccc([O-])c(Br)c1 ZINC000151597782 495889984 /nfs/dbraw/zinc/88/99/84/495889984.db2.gz WMYPIZCDKMDXML-UHFFFAOYSA-N -1 3 350.212 3.022 20 0 FGADHM COc1ccc(C[C@H](C)C(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)cc1OC ZINC000183236274 495892309 /nfs/dbraw/zinc/89/23/09/495892309.db2.gz UFLHTWQCZZHNQY-NSHDSACASA-N -1 3 370.409 3.208 20 0 FGADHM COc1ccc(C[C@H](C)C(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)cc1OC ZINC000183236274 495892311 /nfs/dbraw/zinc/89/23/11/495892311.db2.gz UFLHTWQCZZHNQY-NSHDSACASA-N -1 3 370.409 3.208 20 0 FGADHM COc1ccc(C[C@H](C)C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)cc1OC ZINC000183236274 495892315 /nfs/dbraw/zinc/89/23/15/495892315.db2.gz UFLHTWQCZZHNQY-NSHDSACASA-N -1 3 370.409 3.208 20 0 FGADHM [O-]c1cc(F)cc(CN(CCO)Cc2cc(Br)ccc2F)c1 ZINC000186203728 495895254 /nfs/dbraw/zinc/89/52/54/495895254.db2.gz OJGWATFRQDNUGK-UHFFFAOYSA-N -1 3 372.209 3.427 20 0 FGADHM O=C(CSC[C@@H]1CCCCO1)NCc1ccc([O-])c(Br)c1 ZINC000151627786 495898828 /nfs/dbraw/zinc/89/88/28/495898828.db2.gz VHDHSMPXGDWDAU-LBPRGKRZSA-N -1 3 374.300 3.073 20 0 FGADHM CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)CC(C)(C)C(=O)[O-] ZINC000580673339 505810933 /nfs/dbraw/zinc/81/09/33/505810933.db2.gz SWFBIOOFWKXHSO-QGZVFWFLSA-N -1 3 360.498 3.077 20 0 FGADHM O=C(Nc1ccc([O-])cc1F)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000183262807 495906577 /nfs/dbraw/zinc/90/65/77/495906577.db2.gz RAFQMMAABCRVJH-CYBMUJFWSA-N -1 3 357.385 3.414 20 0 FGADHM CCOC(=O)c1cc(NC(=O)c2csc(Cc3ccc(C)cc3)n2)n[n-]1 ZINC000183273867 495910145 /nfs/dbraw/zinc/91/01/45/495910145.db2.gz RBPADOCTVVAFTK-UHFFFAOYSA-N -1 3 370.434 3.194 20 0 FGADHM CCOC(=O)c1cc(NC(=O)c2csc(Cc3ccc(C)cc3)n2)[n-]n1 ZINC000183273867 495910153 /nfs/dbraw/zinc/91/01/53/495910153.db2.gz RBPADOCTVVAFTK-UHFFFAOYSA-N -1 3 370.434 3.194 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2cncc(Cl)c2Cl)cc1F ZINC000180286302 495937488 /nfs/dbraw/zinc/93/74/88/495937488.db2.gz GCHFLLXEJFTKNC-UHFFFAOYSA-N -1 3 351.186 3.337 20 0 FGADHM COC(=O)c1sc2[n-]c(-c3ccnc(OC(C)(C)C)c3)nc(=O)c2c1C ZINC000155375332 495938209 /nfs/dbraw/zinc/93/82/09/495938209.db2.gz OJPIFQNSNFZXAN-UHFFFAOYSA-N -1 3 373.434 3.319 20 0 FGADHM CC1(C)[C@H](NCc2nc3c4ccccc4oc3c(=O)[n-]2)[C@H]2CCCO[C@@H]21 ZINC000568946548 505813917 /nfs/dbraw/zinc/81/39/17/505813917.db2.gz GBSXVWFEUGYELC-PJSAGSTRSA-N -1 3 353.422 3.375 20 0 FGADHM Cc1nc(C)c(CCC(=O)N2CC[C@@H](C)[C@@H]2c2cccc(F)c2)c(=O)[n-]1 ZINC000174447758 495963509 /nfs/dbraw/zinc/96/35/09/495963509.db2.gz OVTVOXKMLAALDA-CWTRNNRKSA-N -1 3 357.429 3.068 20 0 FGADHM COc1ncnc(OC)c1C(=O)[N-]c1nc(-c2ccc(C)cc2)cs1 ZINC000171657491 495976476 /nfs/dbraw/zinc/97/64/76/495976476.db2.gz RINOWPJJHLUXPB-UHFFFAOYSA-N -1 3 356.407 3.178 20 0 FGADHM O=S(=O)(Cc1ccccc1F)[N-][C@@H](c1nccs1)c1ccccc1 ZINC000171713014 496002536 /nfs/dbraw/zinc/00/25/36/496002536.db2.gz GVZRDCYCNOFTDI-MRXNPFEDSA-N -1 3 362.451 3.491 20 0 FGADHM CC(C)c1nn(C)c2sc(C(=O)NCc3nc(C(C)(C)C)n[n-]3)cc12 ZINC000580699647 505817400 /nfs/dbraw/zinc/81/74/00/505817400.db2.gz FHJDILRXAPJZCQ-UHFFFAOYSA-N -1 3 360.487 3.104 20 0 FGADHM CC(C)(C)O[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000151963557 496007020 /nfs/dbraw/zinc/00/70/20/496007020.db2.gz WGRADNNQJOGELF-INIZCTEOSA-N -1 3 351.410 3.362 20 0 FGADHM CC(C)(C)O[C@H](C(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000151963557 496007026 /nfs/dbraw/zinc/00/70/26/496007026.db2.gz WGRADNNQJOGELF-INIZCTEOSA-N -1 3 351.410 3.362 20 0 FGADHM C[C@H]1C[C@H]1CC(=O)Nc1n[n-]c(-c2ccc(Br)cc2F)n1 ZINC000577923055 505818321 /nfs/dbraw/zinc/81/83/21/505818321.db2.gz SIUQQMXYINVLNK-YUMQZZPRSA-N -1 3 353.195 3.358 20 0 FGADHM CC(=O)N(CCC(=O)N1CCCc2cccc([O-])c21)Cc1ccccc1 ZINC000155650239 496025265 /nfs/dbraw/zinc/02/52/65/496025265.db2.gz ZGLBNNIVSIOLGI-UHFFFAOYSA-N -1 3 352.434 3.110 20 0 FGADHM CCN(C(=O)c1cc(F)c([O-])c(F)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000183564532 496032206 /nfs/dbraw/zinc/03/22/06/496032206.db2.gz XXQGFPVXMJZXMZ-INIZCTEOSA-N -1 3 360.404 3.407 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1)c1nc(C2CCCCC2)no1 ZINC000171795248 496039616 /nfs/dbraw/zinc/03/96/16/496039616.db2.gz QVHKCECCJABOTQ-NSHDSACASA-N -1 3 353.419 3.296 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1)c1nc(-c2cccc(F)c2)no1 ZINC000171803171 496041423 /nfs/dbraw/zinc/04/14/23/496041423.db2.gz IBNVNQUHMRUHBW-SNVBAGLBSA-N -1 3 365.361 3.054 20 0 FGADHM COC(=O)c1ccsc1[N-]C(=O)C(=O)N(C)Cc1ccc(C(C)C)cc1 ZINC000174695666 496066390 /nfs/dbraw/zinc/06/63/90/496066390.db2.gz RXKVBSGZMXMRRX-UHFFFAOYSA-N -1 3 374.462 3.255 20 0 FGADHM COCc1nc2cc([N-]S(=O)(=O)Cc3ccccc3F)ccc2o1 ZINC000186600804 496066946 /nfs/dbraw/zinc/06/69/46/496066946.db2.gz ZJUCBAHILPHEEQ-UHFFFAOYSA-N -1 3 350.371 3.055 20 0 FGADHM CCOC(=O)c1ccsc1[N-]C(=O)C(=O)N(C)C1CCCCCC1 ZINC000174707864 496071229 /nfs/dbraw/zinc/07/12/29/496071229.db2.gz CQMAGORRCXMRLR-UHFFFAOYSA-N -1 3 352.456 3.045 20 0 FGADHM O=c1[n-]c(SCc2cnc3ccccn23)nc2c1cnn2-c1ccccc1 ZINC000155850509 496087784 /nfs/dbraw/zinc/08/77/84/496087784.db2.gz DNLNHRSOGXZVNJ-UHFFFAOYSA-N -1 3 374.429 3.049 20 0 FGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)[C@H]2C[C@@]23CCc2ccccc23)c1 ZINC000174747548 496088007 /nfs/dbraw/zinc/08/80/07/496088007.db2.gz KRNQJFXFEFZNTH-OXQOHEQNSA-N -1 3 370.474 3.209 20 0 FGADHM 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COC(=O)c1ccc(C(=O)[N-]c2cncc(Cl)c2Br)o1 ZINC000574840871 505865444 /nfs/dbraw/zinc/86/54/44/505865444.db2.gz RVKBTAPWLWHJEH-UHFFFAOYSA-N -1 3 359.563 3.129 20 0 FGADHM O=S(=O)(Cc1n[n-]c(-c2cccs2)n1)Cc1ccc(Cl)cc1 ZINC000195010400 496790299 /nfs/dbraw/zinc/79/02/99/496790299.db2.gz XCWUMGWASRVTOM-UHFFFAOYSA-N -1 3 353.856 3.302 20 0 FGADHM O=S(=O)(Cc1nnc(-c2cccs2)[n-]1)Cc1ccc(Cl)cc1 ZINC000195010400 496790305 /nfs/dbraw/zinc/79/03/05/496790305.db2.gz XCWUMGWASRVTOM-UHFFFAOYSA-N -1 3 353.856 3.302 20 0 FGADHM O=S(=O)(Cc1nc(-c2cccs2)n[n-]1)Cc1ccc(Cl)cc1 ZINC000195010400 496790311 /nfs/dbraw/zinc/79/03/11/496790311.db2.gz XCWUMGWASRVTOM-UHFFFAOYSA-N -1 3 353.856 3.302 20 0 FGADHM CCOc1cccc(CN[C@H](CC(=O)[O-])c2ccc(OC)c(OC)c2)c1 ZINC000277516180 496799010 /nfs/dbraw/zinc/79/90/10/496799010.db2.gz YMQUOGLXHVUEGC-QGZVFWFLSA-N -1 3 359.422 3.408 20 0 FGADHM O=C(Nc1ccc(C(=O)NC2CCCC2)cc1)c1cc(F)cc2[n-]nnc21 ZINC000277515859 496799386 /nfs/dbraw/zinc/79/93/86/496799386.db2.gz SVSRWHQWXRGWKW-UHFFFAOYSA-N -1 3 367.384 3.022 20 0 FGADHM O=C(Nc1ccc(C(=O)NC2CCCC2)cc1)c1cc(F)cc2nn[n-]c21 ZINC000277515859 496799389 /nfs/dbraw/zinc/79/93/89/496799389.db2.gz SVSRWHQWXRGWKW-UHFFFAOYSA-N -1 3 367.384 3.022 20 0 FGADHM O=C(Nc1ccc(C(=O)NC2CCCC2)cc1)c1cc(F)cc2n[n-]nc21 ZINC000277515859 496799393 /nfs/dbraw/zinc/79/93/93/496799393.db2.gz SVSRWHQWXRGWKW-UHFFFAOYSA-N -1 3 367.384 3.022 20 0 FGADHM O=C(Nc1nnc(-c2ccccn2)[n-]1)C1(Cc2cccc(F)c2)CCC1 ZINC000188476688 496803486 /nfs/dbraw/zinc/80/34/86/496803486.db2.gz ISFMPCLJGVKMAG-UHFFFAOYSA-N -1 3 351.385 3.357 20 0 FGADHM O=C(Nc1nc(-c2ccccn2)n[n-]1)C1(Cc2cccc(F)c2)CCC1 ZINC000188476688 496803492 /nfs/dbraw/zinc/80/34/92/496803492.db2.gz ISFMPCLJGVKMAG-UHFFFAOYSA-N -1 3 351.385 3.357 20 0 FGADHM O=C(Nc1n[n-]c(-c2ccccn2)n1)C1(Cc2cccc(F)c2)CCC1 ZINC000188476688 496803495 /nfs/dbraw/zinc/80/34/95/496803495.db2.gz ISFMPCLJGVKMAG-UHFFFAOYSA-N -1 3 351.385 3.357 20 0 FGADHM Cc1cc(C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)co1 ZINC000188503758 496813128 /nfs/dbraw/zinc/81/31/28/496813128.db2.gz RYMZCZQBYOJKLY-UHFFFAOYSA-N -1 3 362.813 3.438 20 0 FGADHM C[C@@H]1CN(c2ccc(NC([O-])=NOCc3ccc(F)cc3)cn2)C[C@@H](C)O1 ZINC000273488160 496820621 /nfs/dbraw/zinc/82/06/21/496820621.db2.gz NDHVXFGHNVLDID-ZIAGYGMSSA-N -1 3 374.416 3.088 20 0 FGADHM C[C@@H]1CN(c2ccc(NC(=O)[N-]OCc3ccc(F)cc3)cn2)C[C@@H](C)O1 ZINC000273488160 496820625 /nfs/dbraw/zinc/82/06/25/496820625.db2.gz NDHVXFGHNVLDID-ZIAGYGMSSA-N -1 3 374.416 3.088 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273489569 496820841 /nfs/dbraw/zinc/82/08/41/496820841.db2.gz KDPIETQFWKSOJO-MAUKXSAKSA-N -1 3 362.376 3.390 20 0 FGADHM O=S(=O)([N-]c1ccc(OC2COC2)cc1)c1ccc2c(c1)CCCC2 ZINC000188591205 496844234 /nfs/dbraw/zinc/84/42/34/496844234.db2.gz PDUIHPCVWBYDDL-UHFFFAOYSA-N -1 3 359.447 3.144 20 0 FGADHM O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCCC1)c1cc([O-])ccc1Cl ZINC000277723180 496866840 /nfs/dbraw/zinc/86/68/40/496866840.db2.gz PPSZBQAASCTEPG-SFHVURJKSA-N -1 3 372.852 3.009 20 0 FGADHM CCc1ccc(C(=O)NCC2CCN(C(=O)c3ccccc3)CC2)c([O-])c1 ZINC000191732931 496871553 /nfs/dbraw/zinc/87/15/53/496871553.db2.gz XPWNMDXESKFVPL-UHFFFAOYSA-N -1 3 366.461 3.237 20 0 FGADHM COc1cc(C(=O)N(Cc2ccc(F)cc2)C2CCOCC2)ccc1[O-] ZINC000277753817 496875949 /nfs/dbraw/zinc/87/59/49/496875949.db2.gz JRDWYXBLFLPIIB-UHFFFAOYSA-N -1 3 359.397 3.361 20 0 FGADHM O=S(=O)([N-]CC1(c2cccc(Br)c2)CC1)c1ccco1 ZINC000188691747 496877785 /nfs/dbraw/zinc/87/77/85/496877785.db2.gz FXCPOBLGSLLQGQ-UHFFFAOYSA-N -1 3 356.241 3.052 20 0 FGADHM C[C@@]1(c2nc(Cc3nc(=O)c4c(C5CC5)csc4[n-]3)no2)CCCO1 ZINC000273711955 496882343 /nfs/dbraw/zinc/88/23/43/496882343.db2.gz IDMTWCKQJLEICS-KRWDZBQOSA-N -1 3 358.423 3.274 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)NC[C@@](C)(O)C3CCCCC3)c[n-]c12 ZINC000191778590 496885743 /nfs/dbraw/zinc/88/57/43/496885743.db2.gz LSQJWGUMUIIQTF-HXUWFJFHSA-N -1 3 360.429 3.037 20 0 FGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N(C)[C@@H]1CCC[C@H](C)C1 ZINC000195342337 496895135 /nfs/dbraw/zinc/89/51/35/496895135.db2.gz UEYFUEDZWMANBK-WMLDXEAASA-N -1 3 368.481 3.110 20 0 FGADHM CCc1ccc(C(=O)N[C@H](CCSC)c2nnc3ccccn32)c([O-])c1 ZINC000188788800 496909569 /nfs/dbraw/zinc/90/95/69/496909569.db2.gz DBGVXMFTNVGKMO-OAHLLOKOSA-N -1 3 370.478 3.222 20 0 FGADHM Cc1cc(F)cc(C(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)c1 ZINC000269277726 496910037 /nfs/dbraw/zinc/91/00/37/496910037.db2.gz PQAVADANQNLYMB-UHFFFAOYSA-N -1 3 356.397 3.331 20 0 FGADHM CC(C)=CCNC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000191856883 496911945 /nfs/dbraw/zinc/91/19/45/496911945.db2.gz UWFCKWQKOWKEPY-LJQANCHMSA-N -1 3 352.434 3.336 20 0 FGADHM Cc1cc2c(ncnc2N2CCC[C@H]2C(=O)Nc2ccccc2[O-])s1 ZINC000269326184 496920464 /nfs/dbraw/zinc/92/04/64/496920464.db2.gz VLYBTRCNNAVAAB-AWEZNQCLSA-N -1 3 354.435 3.313 20 0 FGADHM CCCCc1nc(C(=O)OCC)c(NC(=O)CC[C@H]2CC[C@H](C)O2)[n-]1 ZINC000191963075 496945269 /nfs/dbraw/zinc/94/52/69/496945269.db2.gz YRFKGJPKZJRLLQ-QWHCGFSZSA-N -1 3 351.447 3.215 20 0 FGADHM CCCCc1nc(NC(=O)CC[C@H]2CC[C@H](C)O2)c(C(=O)OCC)[n-]1 ZINC000191963075 496945272 /nfs/dbraw/zinc/94/52/72/496945272.db2.gz YRFKGJPKZJRLLQ-QWHCGFSZSA-N -1 3 351.447 3.215 20 0 FGADHM COc1ccc(CCc2nc(-c3ccc([O-])cc3)no2)c(OC)c1OC ZINC000264623944 496947440 /nfs/dbraw/zinc/94/74/40/496947440.db2.gz NFHUXXKXAUECDV-UHFFFAOYSA-N -1 3 356.378 3.253 20 0 FGADHM O=C(NCCCCNc1ccccn1)c1cc([O-])ccc1C(F)(F)F ZINC000188925241 496949790 /nfs/dbraw/zinc/94/97/90/496949790.db2.gz PDJKZRTUEVQKIL-UHFFFAOYSA-N -1 3 353.344 3.428 20 0 FGADHM CC(C)[C@@H](NC(=O)C(=O)[N-]c1cnns1)c1ccc(C(F)(F)F)cc1 ZINC000192058045 496980206 /nfs/dbraw/zinc/98/02/06/496980206.db2.gz IMGXFOWRZDCVCF-GFCCVEGCSA-N -1 3 372.372 3.009 20 0 FGADHM CS[C@H]1CCCCN(Cc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)C1 ZINC000269648446 496983526 /nfs/dbraw/zinc/98/35/26/496983526.db2.gz LNGKSDOSTGKREJ-HNNXBMFYSA-N -1 3 369.494 3.239 20 0 FGADHM COC(=O)Cc1occc1C(=O)[N-]c1nnc(-c2ccc(C)cc2C)s1 ZINC000572051423 505877648 /nfs/dbraw/zinc/87/76/48/505877648.db2.gz HFQGHSGENWNFEL-UHFFFAOYSA-N -1 3 371.418 3.383 20 0 FGADHM C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)C(=O)[N-]c3cnns3)c2)C1 ZINC000192085304 496990170 /nfs/dbraw/zinc/99/01/70/496990170.db2.gz GAMMXBJMXPJTKG-IUODEOHRSA-N -1 3 374.466 3.211 20 0 FGADHM CCc1ccc(C(=O)N2CCCN(Cc3ccc(OC)cc3)CC2)c([O-])c1 ZINC000189048134 496991305 /nfs/dbraw/zinc/99/13/05/496991305.db2.gz LZUCQOKELRRDFC-UHFFFAOYSA-N -1 3 368.477 3.311 20 0 FGADHM COc1ccc(Cl)c(CN2CCN(C(=O)c3ccccc3[O-])CC2)c1 ZINC000192108436 496997731 /nfs/dbraw/zinc/99/77/31/496997731.db2.gz IYFBJPDYCATMCF-UHFFFAOYSA-N -1 3 360.841 3.012 20 0 FGADHM COc1ccc(Cl)c(CN2CCN(C(=O)c3cccc([O-])c3)CC2)c1 ZINC000192108821 496997750 /nfs/dbraw/zinc/99/77/50/496997750.db2.gz RRNLNSGLJPFMPI-UHFFFAOYSA-N -1 3 360.841 3.012 20 0 FGADHM COc1ccc(-c2nnc([N-]C(=O)c3cn4ccnc4s3)s2)cc1 ZINC000189069336 496998376 /nfs/dbraw/zinc/99/83/76/496998376.db2.gz FZMFXMCQBFXFEV-UHFFFAOYSA-N -1 3 357.420 3.175 20 0 FGADHM [O-]c1ccc(-c2noc([C@H](c3ccccc3F)N3CCOCC3)n2)cc1 ZINC000278144983 497019764 /nfs/dbraw/zinc/01/97/64/497019764.db2.gz BEXCDDCIFHNXHJ-KRWDZBQOSA-N -1 3 355.369 3.003 20 0 FGADHM COc1ccc([C@@H](NC(=O)c2cc(=O)[n-]c(C3CC3)n2)c2ccco2)cc1 ZINC000572060547 505880101 /nfs/dbraw/zinc/88/01/01/505880101.db2.gz OVVFIVFQLBYXJX-GOSISDBHSA-N -1 3 365.389 3.181 20 0 FGADHM CC1CCN(C(=O)c2ccc(NC([O-])=NO[C@@H]3CCCCO3)cc2)CC1 ZINC000274149328 497028255 /nfs/dbraw/zinc/02/82/55/497028255.db2.gz FOWALGXXRJWZPW-QGZVFWFLSA-N -1 3 361.442 3.138 20 0 FGADHM CC1CCN(C(=O)c2ccc(NC(=O)[N-]O[C@@H]3CCCCO3)cc2)CC1 ZINC000274149328 497028260 /nfs/dbraw/zinc/02/82/60/497028260.db2.gz FOWALGXXRJWZPW-QGZVFWFLSA-N -1 3 361.442 3.138 20 0 FGADHM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000248513554 497028852 /nfs/dbraw/zinc/02/88/52/497028852.db2.gz DIJOMGRUFWTKLV-HAGHYFMRSA-N -1 3 370.493 3.143 20 0 FGADHM CSCCC[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000192209507 497032663 /nfs/dbraw/zinc/03/26/63/497032663.db2.gz FAFLRZVTQKPZPC-UHFFFAOYSA-N -1 3 358.710 3.134 20 0 FGADHM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1cccc(CN2CCCC2)c1 ZINC000248567671 497042601 /nfs/dbraw/zinc/04/26/01/497042601.db2.gz QOVZDPFAXLNZCD-QRQLOZEOSA-N -1 3 356.466 3.140 20 0 FGADHM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1nc(CCc2ccccc2)no1 ZINC000248569717 497042762 /nfs/dbraw/zinc/04/27/62/497042762.db2.gz RIPMIZAQYRUIPW-ZACQAIPSSA-N -1 3 355.438 3.073 20 0 FGADHM CCc1ccc(C(=O)NCc2ccccc2CN2CCCC2=O)c([O-])c1 ZINC000189233548 497054179 /nfs/dbraw/zinc/05/41/79/497054179.db2.gz OAECVFSPSAGHRW-UHFFFAOYSA-N -1 3 352.434 3.007 20 0 FGADHM Cc1ccc(S(C)(=O)=O)cc1C(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000274391640 497086929 /nfs/dbraw/zinc/08/69/29/497086929.db2.gz PPZORHMNINHYLI-ZDUSSCGKSA-N -1 3 359.447 3.258 20 0 FGADHM CCOC(=O)c1ccc(C(=O)N2CC[C@@H](C)c3cccc([O-])c32)nc1C ZINC000274392897 497087513 /nfs/dbraw/zinc/08/75/13/497087513.db2.gz PWEBJDFHILCKIP-GFCCVEGCSA-N -1 3 354.406 3.426 20 0 FGADHM COc1cc(N[C@@H]2CCCN([C@H](C)c3nc(C)cc(=O)[n-]3)C2)cc(OC)c1 ZINC000248739843 497093634 /nfs/dbraw/zinc/09/36/34/497093634.db2.gz LWKOIQYLKBSPGH-HUUCEWRRSA-N -1 3 372.469 3.145 20 0 FGADHM COc1ccc(Br)cc1S(=O)(=O)[N-]C[C@@H]1CC[C@@H](C)C1 ZINC000230518944 497104520 /nfs/dbraw/zinc/10/45/20/497104520.db2.gz GXWXRRYLJDPUAG-GHMZBOCLSA-N -1 3 362.289 3.172 20 0 FGADHM COc1ccc(Br)cc1S(=O)(=O)[N-]C[C@H]1CC[C@@H](C)C1 ZINC000230518971 497104510 /nfs/dbraw/zinc/10/45/10/497104510.db2.gz GXWXRRYLJDPUAG-MNOVXSKESA-N -1 3 362.289 3.172 20 0 FGADHM O=S(=O)([N-]CCc1ccccc1)c1ccc(Br)c(F)c1 ZINC000230584170 497105471 /nfs/dbraw/zinc/10/54/71/497105471.db2.gz SYGHNSGKYZIQRR-UHFFFAOYSA-N -1 3 358.232 3.109 20 0 FGADHM COC(=O)[C@H](NCc1cc([O-])cc(C(F)(F)F)c1)c1ccc(OC)cc1 ZINC000572085623 505885123 /nfs/dbraw/zinc/88/51/23/505885123.db2.gz UZUCHJDUFYARFQ-MRXNPFEDSA-N -1 3 369.339 3.424 20 0 FGADHM CCCS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc(F)c(OC)c2)cc1 ZINC000189417868 497112584 /nfs/dbraw/zinc/11/25/84/497112584.db2.gz NPXYYWNCVIPUAK-UHFFFAOYSA-N -1 3 366.414 3.238 20 0 FGADHM O=C(Cc1ccc([O-])c(F)c1)N(Cc1ccccc1)CC1(O)CCCC1 ZINC000580992993 505885974 /nfs/dbraw/zinc/88/59/74/505885974.db2.gz PWVUXIKKZUIJLN-UHFFFAOYSA-N -1 3 357.425 3.408 20 0 FGADHM C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000249039062 497152294 /nfs/dbraw/zinc/15/22/94/497152294.db2.gz YOIDNHQMBZWZDZ-SJKOYZFVSA-N -1 3 362.832 3.435 20 0 FGADHM COc1cc(C)cc(C(=O)Nc2cc(C(=O)NCC3CC3)ccc2C)c1[O-] ZINC000189554531 497160938 /nfs/dbraw/zinc/16/09/38/497160938.db2.gz HPLQDZHULJPUPK-UHFFFAOYSA-N -1 3 368.433 3.410 20 0 FGADHM COc1cc(CN[C@@H](C)c2ccncc2OC)cc(Br)c1[O-] ZINC000189565016 497164905 /nfs/dbraw/zinc/16/49/05/497164905.db2.gz OLLOBUGQWHWSIK-JTQLQIEISA-N -1 3 367.243 3.418 20 0 FGADHM CO[C@H](Cc1ccccc1)CS(=O)(=O)[N-]c1ccc2ccn(C)c2c1 ZINC000581005234 505888663 /nfs/dbraw/zinc/88/86/63/505888663.db2.gz VIPUWHPWMFEJNM-GOSISDBHSA-N -1 3 358.463 3.178 20 0 FGADHM CC(C)c1csc(C[N-]S(=O)(=O)c2cccc3c2OC(C)(C)C3)n1 ZINC000192642092 497172603 /nfs/dbraw/zinc/17/26/03/497172603.db2.gz DBZDJDDZOQHDQJ-UHFFFAOYSA-N -1 3 366.508 3.459 20 0 FGADHM O=C([N-]OC[C@@H]1CCOC1)Nc1cccc(C[S@@](=O)c2ccccc2)c1 ZINC000189605498 497179357 /nfs/dbraw/zinc/17/93/57/497179357.db2.gz KJLWABXIOMQQPV-AKJBCIBTSA-N -1 3 374.462 3.084 20 0 FGADHM COC(=O)C1CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])CC1 ZINC000265773926 497179620 /nfs/dbraw/zinc/17/96/20/497179620.db2.gz FGVOXBYPPDTWSA-UHFFFAOYSA-N -1 3 355.390 3.210 20 0 FGADHM COc1cc(C(=O)NC[C@@H](O)c2ccc(C(C)(C)C)cc2)cc(OC)c1[O-] ZINC000270730039 497190590 /nfs/dbraw/zinc/19/05/90/497190590.db2.gz NIXBZPGQOQULJN-MRXNPFEDSA-N -1 3 373.449 3.170 20 0 FGADHM CN(C)CCN(CC(=O)[O-])C(=O)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000237141801 497196908 /nfs/dbraw/zinc/19/69/08/497196908.db2.gz QEJNYGVMEWGGFP-UHFFFAOYSA-N -1 3 366.870 3.157 20 0 FGADHM CO[C@H](C[N-]S(=O)(=O)Cc1ccc(C)cc1F)c1ccc(F)cc1 ZINC000192744274 497201111 /nfs/dbraw/zinc/20/11/11/497201111.db2.gz WFFVOHLDZLCFFO-QGZVFWFLSA-N -1 3 355.406 3.080 20 0 FGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@@H]1CCCc2sccc21 ZINC000189674718 497206925 /nfs/dbraw/zinc/20/69/25/497206925.db2.gz JAFZABDMLZBRJI-LLVKDONJSA-N -1 3 371.505 3.261 20 0 FGADHM CCc1ccc(C(=O)NC2CCN(C(=O)c3ccccc3F)CC2)c([O-])c1 ZINC000189677596 497208793 /nfs/dbraw/zinc/20/87/93/497208793.db2.gz NKUJAGSAQJGZEH-UHFFFAOYSA-N -1 3 370.424 3.128 20 0 FGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CCOC2(CCCC2)C1 ZINC000278759672 497211569 /nfs/dbraw/zinc/21/15/69/497211569.db2.gz KCQXAHIRPWTGPR-ZDUSSCGKSA-N -1 3 359.875 3.119 20 0 FGADHM COC(=O)c1sc2[n-]c(CSC3=N[C@@H](C)CS3)nc(=O)c2c1C ZINC000270859669 497215725 /nfs/dbraw/zinc/21/57/25/497215725.db2.gz JJYGOQFGBCHFRY-LURJTMIESA-N -1 3 369.493 3.216 20 0 FGADHM CC[C@H]1CN(Cc2nc(=O)c3cc(-c4ccccc4)sc3[n-]2)C[C@H]1O ZINC000270868273 497218241 /nfs/dbraw/zinc/21/82/41/497218241.db2.gz IUYMRWRUFOYIMM-SWLSCSKDSA-N -1 3 355.463 3.267 20 0 FGADHM Cc1noc([C@H]2CCCN([C@H](C(=O)[O-])c3ccccc3C(F)(F)F)C2)n1 ZINC000581016885 505892121 /nfs/dbraw/zinc/89/21/21/505892121.db2.gz KHGGLLOUOPTGRU-FZMZJTMJSA-N -1 3 369.343 3.402 20 0 FGADHM O=C(CCCCNC(=O)OCc1ccccc1)[N-]OCCC(F)(F)F ZINC000275021794 497221218 /nfs/dbraw/zinc/22/12/18/497221218.db2.gz ADHJGDNHSZAHME-UHFFFAOYSA-N -1 3 362.348 3.083 20 0 FGADHM CC(=O)[C@H](C)CCCCc1nc(-c2ccc([N-]S(C)(=O)=O)cc2)no1 ZINC000275055424 497228818 /nfs/dbraw/zinc/22/88/18/497228818.db2.gz PONNCPYPDNOVCX-GFCCVEGCSA-N -1 3 365.455 3.046 20 0 FGADHM CC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3ccsc3Cl)cc21 ZINC000189739062 497229189 /nfs/dbraw/zinc/22/91/89/497229189.db2.gz DSZFJTMIQHJJQE-UHFFFAOYSA-N -1 3 356.856 3.111 20 0 FGADHM COc1cc(C(=O)N[C@H](C[C@@H]2CCOC2)c2ccccc2)cc(OC)c1[O-] ZINC000270963969 497234805 /nfs/dbraw/zinc/23/48/05/497234805.db2.gz HCUCSKMBRJOGRH-WMLDXEAASA-N -1 3 371.433 3.307 20 0 FGADHM CC[C@]1(CO)CCCN(Cc2ccc(OC)c([O-])c2Br)C1 ZINC000275145979 497244334 /nfs/dbraw/zinc/24/43/34/497244334.db2.gz 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ZINC000279313712 497403160 /nfs/dbraw/zinc/40/31/60/497403160.db2.gz ANXGNQSQJPQAQU-CYBMUJFWSA-N -1 3 360.435 3.229 20 0 FGADHM CCOC(=O)c1csc([C@@H]2CCCN2C(=O)c2ccc(C)cc2[O-])n1 ZINC000190216228 497403482 /nfs/dbraw/zinc/40/34/82/497403482.db2.gz XLNCWWHEUIPJPN-AWEZNQCLSA-N -1 3 360.435 3.311 20 0 FGADHM CC(C)(C)OCC[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000575021904 505906585 /nfs/dbraw/zinc/90/65/85/505906585.db2.gz QFNUUJGPPAQJBF-UHFFFAOYSA-N -1 3 370.696 3.196 20 0 FGADHM CN(C)CCc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000275797148 497434916 /nfs/dbraw/zinc/43/49/16/497434916.db2.gz OGAXQMRDMJRCLE-UHFFFAOYSA-N -1 3 356.850 3.384 20 0 FGADHM COc1ccc(N[C@H](C)[C@@H](OC)c2ccccc2)cc1[N-]S(C)(=O)=O ZINC000279483284 497451280 /nfs/dbraw/zinc/45/12/80/497451280.db2.gz KYBNZLSUCAIBPI-FZKQIMNGSA-N -1 3 364.467 3.255 20 0 FGADHM COC(=O)c1c(CC(C)C)csc1[N-]C(=O)C(=O)Nc1ccsc1 ZINC000190371271 497453999 /nfs/dbraw/zinc/45/39/99/497453999.db2.gz HTMUSZDCUUMRCM-UHFFFAOYSA-N -1 3 366.464 3.372 20 0 FGADHM CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000261854538 497463056 /nfs/dbraw/zinc/46/30/56/497463056.db2.gz JTFLAMUBGWXYOH-VAHXTSCQSA-N -1 3 359.253 3.170 20 0 FGADHM CN(C(=O)c1ccc(O)cc1[O-])[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000190443123 497482517 /nfs/dbraw/zinc/48/25/17/497482517.db2.gz LIJBZGGTYWASMS-HOTGVXAUSA-N -1 3 368.216 3.135 20 0 FGADHM COC(=O)Cc1n[n-]c(NC(=O)c2cc(C)ccc2SC2CCCC2)n1 ZINC000271926153 497489646 /nfs/dbraw/zinc/48/96/46/497489646.db2.gz JGRXLVANRCOCBY-UHFFFAOYSA-N -1 3 374.466 3.116 20 0 FGADHM COC(=O)Cc1nnc(NC(=O)c2cc(C)ccc2SC2CCCC2)[n-]1 ZINC000271926153 497489651 /nfs/dbraw/zinc/48/96/51/497489651.db2.gz JGRXLVANRCOCBY-UHFFFAOYSA-N -1 3 374.466 3.116 20 0 FGADHM COC(=O)Cc1nc(NC(=O)c2cc(C)ccc2SC2CCCC2)n[n-]1 ZINC000271926153 497489660 /nfs/dbraw/zinc/48/96/60/497489660.db2.gz JGRXLVANRCOCBY-UHFFFAOYSA-N -1 3 374.466 3.116 20 0 FGADHM O=C([O-])CCCCCCCNC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000271939268 497492698 /nfs/dbraw/zinc/49/26/98/497492698.db2.gz FFSBGISYMNQLKW-UHFFFAOYSA-N -1 3 360.498 3.440 20 0 FGADHM CC(C)c1nn(-c2ccc(Br)cc2)cc1CN[C@@H](C)C(=O)[O-] ZINC000262078030 497504638 /nfs/dbraw/zinc/50/46/38/497504638.db2.gz SSIMKNOODYDWRK-NSHDSACASA-N -1 3 366.259 3.321 20 0 FGADHM CCN(C[C@@H]1CCN(C(=O)c2ccc(C)c(C)c2[O-])C1)CC(F)(F)F ZINC000267265810 497512588 /nfs/dbraw/zinc/51/25/88/497512588.db2.gz YCNLMNGITFMZRX-AWEZNQCLSA-N -1 3 358.404 3.355 20 0 FGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@@H]3C[C@@H](C)O[C@@H](C)C3)s2)cs1 ZINC000245724911 497516742 /nfs/dbraw/zinc/51/67/42/497516742.db2.gz VDZQCDPFZKLXQN-PEGIJTEDSA-N -1 3 372.537 3.414 20 0 FGADHM CC(C)COC(=O)Nc1cccc([N-]S(=O)(=O)CCOC(C)C)c1 ZINC000267376080 497537245 /nfs/dbraw/zinc/53/72/45/497537245.db2.gz UKIOCOBBLNKDCE-UHFFFAOYSA-N -1 3 358.460 3.058 20 0 FGADHM O=C(c1cccc([O-])c1)N1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)CC1 ZINC000245863228 497552987 /nfs/dbraw/zinc/55/29/87/497552987.db2.gz DSTFRYDJBZSLQU-JENIJYKNSA-N -1 3 370.493 3.283 20 0 FGADHM Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)[N-]OC[C@H]1CCOC1 ZINC000276355620 497553300 /nfs/dbraw/zinc/55/33/00/497553300.db2.gz JHNRQGFRGFUXIW-HNNXBMFYSA-N -1 3 369.421 3.337 20 0 FGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@@H]3C[C@H]4OCCC[C@H]34)s2)cs1 ZINC000190640286 497556117 /nfs/dbraw/zinc/55/61/17/497556117.db2.gz GFOONWDWADIAMP-NQBHXWOUSA-N -1 3 370.521 3.026 20 0 FGADHM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)C(C)(C)C ZINC000190650716 497559990 /nfs/dbraw/zinc/55/99/90/497559990.db2.gz XEUBJBQSVUNFEX-NWDGAFQWSA-N -1 3 363.907 3.467 20 0 FGADHM CC(C)c1cccc(-n2cc([O-])c(C(=O)N(C)[C@@H]3CCN(C)C[C@H]3C)n2)c1 ZINC000245907573 497566874 /nfs/dbraw/zinc/56/68/74/497566874.db2.gz VJZINMKBRJAAJK-CRAIPNDOSA-N -1 3 370.497 3.114 20 0 FGADHM Cc1c(C(=O)[N-]c2nnc(C(C)(C)C)s2)nnn1Cc1ccc(F)cc1 ZINC000194111160 497577032 /nfs/dbraw/zinc/57/70/32/497577032.db2.gz OOWCCTWQTZKLFG-UHFFFAOYSA-N -1 3 374.445 3.175 20 0 FGADHM Cc1c(NC(=O)c2n[n-]nc2-c2ccccc2)cnn1-c1ccccc1F ZINC000194214841 497603686 /nfs/dbraw/zinc/60/36/86/497603686.db2.gz RDMFWMPTBWRZOQ-UHFFFAOYSA-N -1 3 362.368 3.357 20 0 FGADHM Cc1cccc([O-])c1NC(=O)c1csc(CNC(=O)OC(C)(C)C)n1 ZINC000272388707 497615249 /nfs/dbraw/zinc/61/52/49/497615249.db2.gz CNJODOYQQOSCNL-UHFFFAOYSA-N -1 3 363.439 3.434 20 0 FGADHM CC(=O)N(CC(=O)[O-])[C@@H]1CCCN([C@H](C)c2cccc(Cl)c2)CC1 ZINC000262787975 497622021 /nfs/dbraw/zinc/62/20/21/497622021.db2.gz MTCXHCNVZDUQNB-CXAGYDPISA-N -1 3 352.862 3.189 20 0 FGADHM CC(C)c1noc(CCC(=O)Nc2nnc(-c3cc4ccccc4o3)[n-]2)n1 ZINC000276790934 497654917 /nfs/dbraw/zinc/65/49/17/497654917.db2.gz TUTHHYJASLCFOQ-UHFFFAOYSA-N -1 3 366.381 3.296 20 0 FGADHM CC(C)c1noc(CCC(=O)Nc2nc(-c3cc4ccccc4o3)n[n-]2)n1 ZINC000276790934 497654922 /nfs/dbraw/zinc/65/49/22/497654922.db2.gz TUTHHYJASLCFOQ-UHFFFAOYSA-N -1 3 366.381 3.296 20 0 FGADHM CC(C)c1noc(CCC(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)n1 ZINC000276790934 497654926 /nfs/dbraw/zinc/65/49/26/497654926.db2.gz TUTHHYJASLCFOQ-UHFFFAOYSA-N -1 3 366.381 3.296 20 0 FGADHM COc1cccc(OC)c1OC1CCN(C(=O)c2ccc([O-])c(C)c2)CC1 ZINC000272538845 497655298 /nfs/dbraw/zinc/65/52/98/497655298.db2.gz GSJNHQOEZQOZAF-UHFFFAOYSA-N -1 3 371.433 3.401 20 0 FGADHM CC1(C)CCCC[C@@H]1C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1[O-] ZINC000194417379 497659609 /nfs/dbraw/zinc/65/96/09/497659609.db2.gz BBHSYYPLSBRENN-CQSZACIVSA-N -1 3 366.483 3.087 20 0 FGADHM CCN(CC)[C@@H](CNC(=O)NC1CCC(C(=O)[O-])CC1)c1ccsc1 ZINC000262954991 497665631 /nfs/dbraw/zinc/66/56/31/497665631.db2.gz IMUOTSIOFDYRGA-BCLQGDPASA-N -1 3 367.515 3.074 20 0 FGADHM CCOCCCC[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000276834484 497666897 /nfs/dbraw/zinc/66/68/97/497666897.db2.gz BLVRAKQRILYMNL-UHFFFAOYSA-N -1 3 370.696 3.198 20 0 FGADHM Cc1csc(C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)c1Cl ZINC000276868254 497674900 /nfs/dbraw/zinc/67/49/00/497674900.db2.gz ZURJNOKHVCASJP-UHFFFAOYSA-N -1 3 364.854 3.014 20 0 FGADHM CCOc1cc(C[NH2+]C[C@@H](CC(C)C)C(=O)[O-])cc(Br)c1[O-] ZINC000263012903 497681387 /nfs/dbraw/zinc/68/13/87/497681387.db2.gz 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C[C@H]1C[C@H](C(=O)[O-])CN(Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)C1 ZINC000263099104 497705461 /nfs/dbraw/zinc/70/54/61/497705461.db2.gz WCSSHGCBTHQPRI-JSGCOSHPSA-N -1 3 367.371 3.434 20 0 FGADHM C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000263103610 497706475 /nfs/dbraw/zinc/70/64/75/497706475.db2.gz BDTLPTZGKMAHPT-UTUOFQBUSA-N -1 3 358.360 3.075 20 0 FGADHM C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NCc2ccc(C(=O)[O-])cc2)C1 ZINC000263131396 497713521 /nfs/dbraw/zinc/71/35/21/497713521.db2.gz YXHRCDVJIBMUKH-KXBFYZLASA-N -1 3 367.449 3.020 20 0 FGADHM COc1ccc(-c2nnc(S[C@@H](C)c3nc(C)cc(=O)[n-]3)o2)cc1OC ZINC000268310186 497723925 /nfs/dbraw/zinc/72/39/25/497723925.db2.gz HBFQLUOLSNCRQJ-JTQLQIEISA-N -1 3 374.422 3.411 20 0 FGADHM COc1cc(C(=O)NCCCCC(=O)OCc2ccccc2)ccc1[O-] ZINC000277165752 497762126 /nfs/dbraw/zinc/76/21/26/497762126.db2.gz SYXWKQVXRBTABQ-UHFFFAOYSA-N -1 3 357.406 3.044 20 0 FGADHM CCCN(CCC)C(=O)c1ccc(NC([O-])=NOCCSC)cc1 ZINC000280467562 497762977 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COC(=O)c1cnc([N-]C(=O)c2oc3c(c2C)C(=O)CCC3)c(Cl)c1 ZINC000572548593 505994609 /nfs/dbraw/zinc/99/46/09/505994609.db2.gz OVHKYVNVFQBEMU-UHFFFAOYSA-N -1 3 362.769 3.194 20 0 FGADHM O=C(NC1CCN(c2nccs2)CC1)c1cc([O-])ccc1C(F)(F)F ZINC000281590536 498204423 /nfs/dbraw/zinc/20/44/23/498204423.db2.gz MQPPIHIDAXHNIM-UHFFFAOYSA-N -1 3 371.384 3.266 20 0 FGADHM Cc1ccc(-c2nc(-c3cccc(OCC(=O)NC4CC4)c3)no2)c([O-])c1 ZINC000578687486 505997180 /nfs/dbraw/zinc/99/71/80/505997180.db2.gz BHMXJTKHNXFIQN-UHFFFAOYSA-N -1 3 365.389 3.075 20 0 FGADHM CC(C)c1cccc(S(=O)(=O)[N-]C2(C(F)(F)F)CCOCC2)c1 ZINC000330877360 498210122 /nfs/dbraw/zinc/21/01/22/498210122.db2.gz WFUKGZXUFANFCX-UHFFFAOYSA-N -1 3 351.390 3.200 20 0 FGADHM Cc1cc(C(C)(C)C)cc(C)c1Cc1noc([C@@H](C)[N-]S(C)(=O)=O)n1 ZINC000330888407 498211714 /nfs/dbraw/zinc/21/17/14/498211714.db2.gz AOQAVLPGOHTLOK-CYBMUJFWSA-N -1 3 365.499 3.185 20 0 FGADHM COc1cccc2c(NCCCNC(=O)c3cccc([O-])c3)cc(C)nc12 ZINC000301668582 498215082 /nfs/dbraw/zinc/21/50/82/498215082.db2.gz MPMYOFQUBIMNIQ-UHFFFAOYSA-N -1 3 365.433 3.489 20 0 FGADHM C[C@H](CNC(=O)c1cc([O-])ccc1Cl)N1CCc2sccc2C1 ZINC000289622669 498220957 /nfs/dbraw/zinc/22/09/57/498220957.db2.gz RMJMOMKYPJIRSS-LLVKDONJSA-N -1 3 350.871 3.284 20 0 FGADHM CC[C@@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)C1CCOCC1 ZINC000331004967 498234301 /nfs/dbraw/zinc/23/43/01/498234301.db2.gz SBASDMGYQMDCPM-CYBMUJFWSA-N -1 3 369.380 3.328 20 0 FGADHM COc1cccc(C(=O)N2CCC(Oc3ccc(Cl)nc3)CC2)c1[O-] ZINC000364974118 498234649 /nfs/dbraw/zinc/23/46/49/498234649.db2.gz RKMPUECNIQDFGT-UHFFFAOYSA-N -1 3 362.813 3.133 20 0 FGADHM CC(C)(C)OC(=O)N1CCC(NC(=O)c2cc([O-])ccc2Cl)CC1 ZINC000289669990 498240140 /nfs/dbraw/zinc/24/01/40/498240140.db2.gz ZPLSRWNHZJGAPE-UHFFFAOYSA-N -1 3 354.834 3.175 20 0 FGADHM COc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](C(F)(F)F)C2)c(F)c1 ZINC000331091263 498250595 /nfs/dbraw/zinc/25/05/95/498250595.db2.gz WJCGRHQMMLSLAW-NXEZZACHSA-N -1 3 355.353 3.234 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]C(C)(C)c2nc(C)c(C)s2)c(F)c1 ZINC000331096583 498251037 /nfs/dbraw/zinc/25/10/37/498251037.db2.gz APVMVCVWWGSMHZ-UHFFFAOYSA-N -1 3 358.460 3.121 20 0 FGADHM CC(C)(C)c1nnc(C(=O)[N-]c2ncc(C3CCOCC3)s2)s1 ZINC000296925023 498253737 /nfs/dbraw/zinc/25/37/37/498253737.db2.gz NHAOXIMJWRJEQS-UHFFFAOYSA-N -1 3 352.485 3.438 20 0 FGADHM O=C(COc1ccccc1OCc1ccccc1)[N-]c1nncn1C1CC1 ZINC000285979134 498258712 /nfs/dbraw/zinc/25/87/12/498258712.db2.gz XAFHDVRDAKEZEJ-UHFFFAOYSA-N -1 3 364.405 3.210 20 0 FGADHM CC(C)[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)CCO1 ZINC000331199676 498273079 /nfs/dbraw/zinc/27/30/79/498273079.db2.gz ULXMFHODMRMLFI-DGCLKSJQSA-N -1 3 352.283 3.475 20 0 FGADHM Cc1nc2scc(CC(C)C)c2c(N2CCc3nc[n-]c(=O)c3C2)n1 ZINC000301809121 498273297 /nfs/dbraw/zinc/27/32/97/498273297.db2.gz XKNLGJYGJXHNGL-UHFFFAOYSA-N -1 3 355.467 3.257 20 0 FGADHM C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCN2C(=O)NCc2ccc([O-])c(F)c2)C1 ZINC000281801552 498275206 /nfs/dbraw/zinc/27/52/06/498275206.db2.gz IKEHWRRCCDFKBJ-WNOSKKOXSA-N -1 3 350.434 3.002 20 0 FGADHM CC(C)c1ccc(C(=O)N2CCN([C@@H](C)c3nccs3)CC2)c([O-])c1 ZINC000331224206 498278707 /nfs/dbraw/zinc/27/87/07/498278707.db2.gz AZPAPWOLPDYESI-AWEZNQCLSA-N -1 3 359.495 3.491 20 0 FGADHM Cc1cn(-c2ncccc2F)nc1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000365098628 498295887 /nfs/dbraw/zinc/29/58/87/498295887.db2.gz JAWJLQRDFCGZPO-UHFFFAOYSA-N -1 3 362.364 3.248 20 0 FGADHM CCCOc1ccc(CNC(=O)Cc2cncc([O-])c2)c(OC(F)F)c1 ZINC000575815880 506011663 /nfs/dbraw/zinc/01/16/63/506011663.db2.gz KJWMRANBXPVKGJ-UHFFFAOYSA-N -1 3 366.364 3.036 20 0 FGADHM COc1cc(/C=C/C(=O)N2CCC(CF)CC2)cc(Br)c1[O-] ZINC000297078653 498315469 /nfs/dbraw/zinc/31/54/69/498315469.db2.gz XJGGMXGWULJJLD-NSCUHMNNSA-N -1 3 372.234 3.385 20 0 FGADHM C[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O)C(C)(F)F ZINC000293244311 498319002 /nfs/dbraw/zinc/31/90/02/498319002.db2.gz YTXPHLPHHUYAEA-SSDOTTSWSA-N -1 3 374.331 3.307 20 0 FGADHM [O-]C(=NO[C@H]1CCCCO1)Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000289859785 498326522 /nfs/dbraw/zinc/32/65/22/498326522.db2.gz QXVRUXYEEBYGCU-AWEZNQCLSA-N -1 3 370.331 3.471 20 0 FGADHM O=C([N-]O[C@H]1CCCCO1)Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000289859785 498326527 /nfs/dbraw/zinc/32/65/27/498326527.db2.gz QXVRUXYEEBYGCU-AWEZNQCLSA-N -1 3 370.331 3.471 20 0 FGADHM COc1c(C(=O)[N-]c2nnc([C@H]3CCCc4ccccc43)s2)cnn1C ZINC000575848833 506017399 /nfs/dbraw/zinc/01/73/99/506017399.db2.gz WAFNJJGPHQMQLP-ZDUSSCGKSA-N -1 3 369.450 3.001 20 0 FGADHM Cc1ccc(C(=O)N2CC[C@@H](C(=O)N(C)c3ccccc3)C2)c([O-])c1C ZINC000281985311 498344755 /nfs/dbraw/zinc/34/47/55/498344755.db2.gz ZKNXDEIFPAHKTH-MRXNPFEDSA-N -1 3 352.434 3.134 20 0 FGADHM Cc1ccc([C@H]2OCCC[C@@H]2[N-]S(=O)(=O)c2cncc(Cl)c2)cc1 ZINC000331481862 498346113 /nfs/dbraw/zinc/34/61/13/498346113.db2.gz XKZSPZCHUDQIQP-DLBZAZTESA-N -1 3 366.870 3.242 20 0 FGADHM C[C@@]1(C[N-]S(=O)(=O)Cc2ccccc2Cl)OCCc2sccc21 ZINC000569798124 506019245 /nfs/dbraw/zinc/01/92/45/506019245.db2.gz BUVILCAWMLUEIO-INIZCTEOSA-N -1 3 371.911 3.309 20 0 FGADHM Cc1c(Cl)ccc2ccc(N3CCC[C@H]3C[C@@]3(C)NC(=O)[N-]C3=O)nc21 ZINC000286279578 498348549 /nfs/dbraw/zinc/34/85/49/498348549.db2.gz GURBWLLTUFVBSH-ORAYPTAESA-N -1 3 372.856 3.154 20 0 FGADHM COc1ccccc1[C@@H]1C[C@H]1[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000578787683 506020472 /nfs/dbraw/zinc/02/04/72/506020472.db2.gz YBFRTEWKVZVVLE-WCQYABFASA-N -1 3 355.818 3.322 20 0 FGADHM [O-]c1cc(CN[C@@]2(CO)CCOc3ccccc32)cc(C(F)(F)F)c1 ZINC000289940896 498361447 /nfs/dbraw/zinc/36/14/47/498361447.db2.gz UGURCKVLZYIVGP-QGZVFWFLSA-N -1 3 353.340 3.171 20 0 FGADHM Cc1ccc(C(=O)Nc2cccc(N3C(=O)CCNC3=O)c2C)c([O-])c1C ZINC000282042310 498368176 /nfs/dbraw/zinc/36/81/76/498368176.db2.gz GBHCGPUSCINLQC-UHFFFAOYSA-N -1 3 367.405 3.016 20 0 FGADHM CC(C)(c1nc(-c2ccc([O-])c3ccccc23)no1)S(=O)(=O)C1CC1 ZINC000293410146 498375479 /nfs/dbraw/zinc/37/54/79/498375479.db2.gz LKJPYMUJQLZWPL-UHFFFAOYSA-N -1 3 358.419 3.408 20 0 FGADHM COc1ccc(C(=O)N2CCCC[C@H]2c2nnc([C@H]3CCCO3)o2)c([O-])c1 ZINC000286373993 498380261 /nfs/dbraw/zinc/38/02/61/498380261.db2.gz SFDARVTXYKAZLA-GOEBONIOSA-N -1 3 373.409 3.003 20 0 FGADHM O=C(N[C@H](c1ccncc1)c1cc(F)ccc1F)c1ccc2n[n-]nc2c1 ZINC000361417191 498388548 /nfs/dbraw/zinc/38/85/48/498388548.db2.gz MVMTYFWBVUEKIZ-GOSISDBHSA-N -1 3 365.343 3.151 20 0 FGADHM C=CC(=O)Nc1ccc(C(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)cc1 ZINC000361461130 498394107 /nfs/dbraw/zinc/39/41/07/498394107.db2.gz GXOKWJWMYMRITF-UHFFFAOYSA-N -1 3 374.400 3.122 20 0 FGADHM CO[C@@H](C)CS(=O)(=O)[N-]c1ccc(Sc2nc(C)cc(C)n2)cc1 ZINC000282175093 498412225 /nfs/dbraw/zinc/41/22/25/498412225.db2.gz INOFLQHCFRHMMX-ZDUSSCGKSA-N -1 3 367.496 3.021 20 0 FGADHM CC(C)(CO)[C@@H](CNC(=O)c1c[n-]nc1-c1ccccn1)c1ccccc1 ZINC000575913154 506031804 /nfs/dbraw/zinc/03/18/04/506031804.db2.gz UDYQULDIJWMZPH-KRWDZBQOSA-N -1 3 364.449 3.004 20 0 FGADHM O=C(CCc1ccc2ccccc2c1[O-])NC[C@H]1COC2(CCCC2)O1 ZINC000297375887 498426193 /nfs/dbraw/zinc/42/61/93/498426193.db2.gz CZLOOLVJNUOEPS-KRWDZBQOSA-N -1 3 355.434 3.280 20 0 FGADHM C[C@@H]1CC[S@@](=O)CCN1C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000365380104 498434567 /nfs/dbraw/zinc/43/45/67/498434567.db2.gz KNSVJZLABUUXJW-DLUDVSRJSA-N -1 3 359.447 3.168 20 0 FGADHM O=S(=O)([N-]C[C@H]1CCSC1)c1c(Cl)cccc1Br ZINC000282255141 498440614 /nfs/dbraw/zinc/44/06/14/498440614.db2.gz GFJGPTXDJSAGBR-MRVPVSSYSA-N -1 3 370.721 3.134 20 0 FGADHM O=C(Nc1cc(Cl)c([O-])cc1F)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000569876816 506036385 /nfs/dbraw/zinc/03/63/85/506036385.db2.gz BFYILYZPSPPBPU-ZDUSSCGKSA-N -1 3 363.820 3.430 20 0 FGADHM O=C(CC1CCCC1)NC1CCN(Cc2c(F)ccc([O-])c2F)CC1 ZINC000331849130 498475131 /nfs/dbraw/zinc/47/51/31/498475131.db2.gz VXXKEQSUHZKUFC-UHFFFAOYSA-N -1 3 352.425 3.331 20 0 FGADHM O=C(NC1CCCCC1)NC1CCN(Cc2c(F)ccc([O-])c2F)CC1 ZINC000331911775 498497736 /nfs/dbraw/zinc/49/77/36/498497736.db2.gz AYHIXNXDPHIGPM-UHFFFAOYSA-N -1 3 367.440 3.267 20 0 FGADHM O=C(c1cc([O-])ccc1Cl)N1CCC(Oc2ncccc2F)CC1 ZINC000290307917 498503984 /nfs/dbraw/zinc/50/39/84/498503984.db2.gz ADEAFWGLQGOLGH-UHFFFAOYSA-N -1 3 350.777 3.263 20 0 FGADHM O=C(NCCNc1ncc(Cl)cc1Br)c1ccc([O-])cc1 ZINC000302566122 498508797 /nfs/dbraw/zinc/50/87/97/498508797.db2.gz OPGPHFARGKUHRR-UHFFFAOYSA-N -1 3 370.634 3.045 20 0 FGADHM CN(CCCN(C)C(=O)c1cc(=O)c2ccccc2[n-]1)Cc1ccco1 ZINC000286832045 498522987 /nfs/dbraw/zinc/52/29/87/498522987.db2.gz XJMAHCDEIXBLQY-UHFFFAOYSA-N -1 3 353.422 3.128 20 0 FGADHM CCc1oc(C(=O)[O-])cc1CN(C)[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000569934621 506051576 /nfs/dbraw/zinc/05/15/76/506051576.db2.gz KPSXZWLZBILCRH-CYBMUJFWSA-N -1 3 354.410 3.314 20 0 FGADHM CC(=O)N1CC[C@H](NC(=O)Cc2ccc([O-])cc2Cl)c2ccccc21 ZINC000362734371 498546864 /nfs/dbraw/zinc/54/68/64/498546864.db2.gz IHEWSKQWUGHSTB-KRWDZBQOSA-N -1 3 358.825 3.202 20 0 FGADHM COCCCO[N-]C(=O)Nc1ccccc1C(=O)N(C)C1CCCCC1 ZINC000286909533 498549732 /nfs/dbraw/zinc/54/97/32/498549732.db2.gz FVXVEJAJSVTIDC-UHFFFAOYSA-N -1 3 363.458 3.181 20 0 FGADHM Cc1ccc(C(=O)N(Cc2ccc(C(N)=O)cc2F)C2CC2)c([O-])c1C ZINC000294002442 498559228 /nfs/dbraw/zinc/55/92/28/498559228.db2.gz YVAGEUVDIIPMDC-UHFFFAOYSA-N -1 3 356.397 3.052 20 0 FGADHM C[C@H](CC[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F)N1CCCCC1 ZINC000569952400 506055113 /nfs/dbraw/zinc/05/51/13/506055113.db2.gz JSPBGOGFLCFYTL-LLVKDONJSA-N -1 3 366.861 3.161 20 0 FGADHM COc1cccc(C(=O)N(C)C2CCN(c3cccc(F)c3)CC2)c1[O-] ZINC000362887721 498573562 /nfs/dbraw/zinc/57/35/62/498573562.db2.gz BYCIPVNIVWTXFQ-UHFFFAOYSA-N -1 3 358.413 3.281 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N3CC(C)(C)[C@@H]3[C@@H]3CCCO3)c[n-]c12 ZINC000290496238 498574728 /nfs/dbraw/zinc/57/47/28/498574728.db2.gz FQNZZVNGQGXPDE-YJBOKZPZSA-N -1 3 358.413 3.418 20 0 FGADHM C[C@H](C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1)N1CCCCCC1 ZINC000365647453 498575906 /nfs/dbraw/zinc/57/59/06/498575906.db2.gz PLVSATRTRFKAOV-MRXNPFEDSA-N -1 3 358.482 3.078 20 0 FGADHM O=C(c1c([O-])cnc2ccc(Cl)cc21)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000282602401 498577869 /nfs/dbraw/zinc/57/78/69/498577869.db2.gz ZCHHCVOFLKEGBG-LLVKDONJSA-N -1 3 356.813 3.337 20 0 FGADHM COc1cc(C(=O)NC[C@H]2CC[C@H](c3ccccc3)O2)cc(OC)c1[O-] ZINC000365654400 498580746 /nfs/dbraw/zinc/58/07/46/498580746.db2.gz QALLNPMGTIFFFS-HZPDHXFCSA-N -1 3 357.406 3.060 20 0 FGADHM COc1ccc(Cl)cc1NCCc1nc(-c2ccc3n[n-]nc3c2)no1 ZINC000578949760 506058192 /nfs/dbraw/zinc/05/81/92/506058192.db2.gz UAYQTHBUSRHWAC-UHFFFAOYSA-N -1 3 370.800 3.325 20 0 FGADHM COCCc1nsc(Sc2n[n-]c(-c3ccc(Cl)cc3)n2)n1 ZINC000302835631 498595684 /nfs/dbraw/zinc/59/56/84/498595684.db2.gz VSZALKKHBPQBAD-UHFFFAOYSA-N -1 3 353.860 3.317 20 0 FGADHM COc1cccc2c(C(=O)Nc3nc4c(s3)CN(C(C)C)CC4)[n-]nc21 ZINC000290570080 498602155 /nfs/dbraw/zinc/60/21/55/498602155.db2.gz SZPHLUPXICKMGC-UHFFFAOYSA-N -1 3 371.466 3.047 20 0 FGADHM Cc1sc(Cl)nc1C(=O)N=c1nc(-c2ccccc2Cl)[n-]n1C ZINC000365726703 498614624 /nfs/dbraw/zinc/61/46/24/498614624.db2.gz JFRQOSDWOZSZQR-UHFFFAOYSA-N -1 3 368.249 3.228 20 0 FGADHM CCOC(=O)c1cc([N-]C(=O)c2ncoc2C2CC2)cc(C(=O)OCC)c1 ZINC000297932873 498614823 /nfs/dbraw/zinc/61/48/23/498614823.db2.gz UWCJGBGBNDVTMA-UHFFFAOYSA-N -1 3 372.377 3.158 20 0 FGADHM Cc1c(-c2ccncc2)[n-][nH]c1=NC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1F ZINC000363064280 498630572 /nfs/dbraw/zinc/63/05/72/498630572.db2.gz XAWBDXMWNPXDAE-CABCVRRESA-N -1 3 354.360 3.222 20 0 FGADHM CC(C)CCn1nc(CNC(=O)Cc2cncc([O-])c2)c2ccccc21 ZINC000576052424 506065254 /nfs/dbraw/zinc/06/52/54/506065254.db2.gz KHWMLBTVUTXTRE-UHFFFAOYSA-N -1 3 352.438 3.042 20 0 FGADHM CN(C(=O)c1cc(F)cc2[n-]nnc21)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000282744814 498635578 /nfs/dbraw/zinc/63/55/78/498635578.db2.gz NMRBMXUKRQKFEZ-WMLDXEAASA-N -1 3 372.375 3.228 20 0 FGADHM CN(C(=O)c1cc(F)cc2nn[n-]c21)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000282744814 498635581 /nfs/dbraw/zinc/63/55/81/498635581.db2.gz NMRBMXUKRQKFEZ-WMLDXEAASA-N -1 3 372.375 3.228 20 0 FGADHM CN(C(=O)c1cc(F)cc2n[n-]nc21)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000282744814 498635585 /nfs/dbraw/zinc/63/55/85/498635585.db2.gz NMRBMXUKRQKFEZ-WMLDXEAASA-N -1 3 372.375 3.228 20 0 FGADHM CC(=O)c1ccc(C(=O)N2CCC[C@@H](c3noc(C(C)C)n3)C2)cc1[O-] ZINC000332304935 498642791 /nfs/dbraw/zinc/64/27/91/498642791.db2.gz LECCFYHZZQPOQR-CQSZACIVSA-N -1 3 357.410 3.121 20 0 FGADHM CCC(CC)Oc1ccc(C(=O)N=c2[n-]n(C)cc2Br)cc1 ZINC000578990036 506068634 /nfs/dbraw/zinc/06/86/34/506068634.db2.gz JIYBMLMMUUHDDU-UHFFFAOYSA-N -1 3 366.259 3.424 20 0 FGADHM C[C@H]1C[C@H](c2ccccc2)CCN1C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000332370426 498666237 /nfs/dbraw/zinc/66/62/37/498666237.db2.gz AQCIIIJPWUKMCN-MAUKXSAKSA-N -1 3 372.490 3.466 20 0 FGADHM CS(=O)(=O)[N-]c1cc(NC(=O)CCCc2cccs2)ccc1F ZINC000298131187 498673491 /nfs/dbraw/zinc/67/34/91/498673491.db2.gz AYWLYCIFPOKMBP-UHFFFAOYSA-N -1 3 356.444 3.220 20 0 FGADHM Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NC(=O)c1cc([O-])ccc1Cl ZINC000290779840 498677917 /nfs/dbraw/zinc/67/79/17/498677917.db2.gz CDUQDIJOXKYHPY-QGZVFWFLSA-N -1 3 374.824 3.216 20 0 FGADHM Cc1nccn1C[C@@H](C)CNC(=O)CCc1ccc2ccccc2c1[O-] ZINC000294388480 498678477 /nfs/dbraw/zinc/67/84/77/498678477.db2.gz IQJSDVBEQOFTJF-HNNXBMFYSA-N -1 3 351.450 3.435 20 0 FGADHM CCOc1cc(C(=O)[N-]c2nc(CN3CCC[C@@H](C)C3)cs2)on1 ZINC000294394648 498681056 /nfs/dbraw/zinc/68/10/56/498681056.db2.gz DKOWDPCJHQDGCV-LLVKDONJSA-N -1 3 350.444 3.014 20 0 FGADHM Cc1oc(-c2ccccc2)nc1CCNC(=O)c1c[n-]c2ccccc2c1=O ZINC000363175146 498686735 /nfs/dbraw/zinc/68/67/35/498686735.db2.gz OLYPDRQIVPVFRT-UHFFFAOYSA-N -1 3 373.412 3.464 20 0 FGADHM C[C@H](CCO)C1(C[N-]S(=O)(=O)c2cccc(Cl)c2Cl)CCC1 ZINC000332492156 498703238 /nfs/dbraw/zinc/70/32/38/498703238.db2.gz TUVJPUFHSAVRGT-LLVKDONJSA-N -1 3 366.310 3.461 20 0 FGADHM CCOc1cc(CNCCS(=O)(=O)c2ccccc2)cc(Cl)c1[O-] ZINC000298248429 498708498 /nfs/dbraw/zinc/70/84/98/498708498.db2.gz DEDWPYDBOUQGNY-UHFFFAOYSA-N -1 3 369.870 3.008 20 0 FGADHM O=C([O-])[C@@H](c1cccc(Br)c1)N1CC[C@H](COC(F)F)C1 ZINC000579025425 506077499 /nfs/dbraw/zinc/07/74/99/506077499.db2.gz CJKDFKLXRBYYLK-JOYOIKCWSA-N -1 3 364.186 3.136 20 0 FGADHM CCOc1cc(CNc2ccc3c(c2)N(C)C(=O)CO3)cc(Cl)c1[O-] ZINC000298255107 498711069 /nfs/dbraw/zinc/71/10/69/498711069.db2.gz DYXXEBSABYOKSZ-UHFFFAOYSA-N -1 3 362.813 3.412 20 0 FGADHM Cc1cnc(C(=O)N(C)[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)c([O-])c1 ZINC000332550527 498723751 /nfs/dbraw/zinc/72/37/51/498723751.db2.gz PFMKQKBPFHNYQV-AEFFLSMTSA-N -1 3 353.466 3.221 20 0 FGADHM C[C@H](C(=O)N1CCN(C(=O)c2cccc([O-])c2)CC1)c1cccc(Cl)c1 ZINC000332566031 498727631 /nfs/dbraw/zinc/72/76/31/498727631.db2.gz USEMTCDTJWWHDH-AWEZNQCLSA-N -1 3 372.852 3.134 20 0 FGADHM Cc1c(-c2ccncc2)[n-][nH]c1=NC(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000363255706 498730200 /nfs/dbraw/zinc/73/02/00/498730200.db2.gz BHFQQMKKQXNZKO-HIFRSBDPSA-N -1 3 354.360 3.222 20 0 FGADHM Cc1c(-c2ccncc2)[n-][nH]c1=NC(=O)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000363256701 498731665 /nfs/dbraw/zinc/73/16/65/498731665.db2.gz NYKJABCXAAFYOX-UONOGXRCSA-N -1 3 354.360 3.222 20 0 FGADHM CCOc1cc(C(=O)[N-]c2cc(Cl)ccc2C(=O)N2CCCC2)on1 ZINC000294625170 498752493 /nfs/dbraw/zinc/75/24/93/498752493.db2.gz YGCYOEYHICTVMX-UHFFFAOYSA-N -1 3 363.801 3.215 20 0 FGADHM COc1ccc(C(=O)N2CCC(c3c[nH]c4ncccc34)CC2)c([O-])c1 ZINC000363311639 498757222 /nfs/dbraw/zinc/75/72/22/498757222.db2.gz AMWKNNJBUHXLCC-UHFFFAOYSA-N -1 3 351.406 3.297 20 0 FGADHM CC(C)[C@H](C)N(C)C(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000332673742 498759345 /nfs/dbraw/zinc/75/93/45/498759345.db2.gz JKARHFZWERKLRX-JTQLQIEISA-N -1 3 351.244 3.407 20 0 FGADHM O=C([O-])c1cnc(NC[C@H]2CCCN(Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000312639337 498761903 /nfs/dbraw/zinc/76/19/03/498761903.db2.gz JLHKZWWJVJQXCX-OAHLLOKOSA-N -1 3 370.409 3.012 20 0 FGADHM Cc1cc(C)c2[n-]cc(C(=O)N3CCCC[C@H]3c3ccnn3C)c(=O)c2c1 ZINC000332705682 498770982 /nfs/dbraw/zinc/77/09/82/498770982.db2.gz VXMBAHROXWSHBH-SFHVURJKSA-N -1 3 364.449 3.246 20 0 FGADHM COc1ccc(CN2CC[C@@](C(=O)[O-])(C(C)C)C2)c(Br)c1 ZINC000313975581 498772380 /nfs/dbraw/zinc/77/23/80/498772380.db2.gz LTONJJMGCCLCKB-INIZCTEOSA-N -1 3 356.260 3.390 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)NCCC(=O)OC3CCCCC3)c[n-]c12 ZINC000283086054 498774958 /nfs/dbraw/zinc/77/49/58/498774958.db2.gz RTOULKUFQWADEP-UHFFFAOYSA-N -1 3 374.412 3.384 20 0 FGADHM O=C([O-])[C@@H]1CCO[C@H]1C1CCN(CCOc2ccc3ccccc3c2)CC1 ZINC000570100624 506090796 /nfs/dbraw/zinc/09/07/96/506090796.db2.gz SKWAVURROATWLG-RTWAWAEBSA-N -1 3 369.461 3.420 20 0 FGADHM CC[C@H](NC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-])[C@@H]1CC1(C)C ZINC000579095055 506092833 /nfs/dbraw/zinc/09/28/33/506092833.db2.gz SZZSZSMVHISYNL-HOTGVXAUSA-N -1 3 371.437 3.495 20 0 FGADHM CC[C@@H](NC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-])[C@@H]1CC1(C)C ZINC000579095057 506093425 /nfs/dbraw/zinc/09/34/25/506093425.db2.gz SZZSZSMVHISYNL-JKSUJKDBSA-N -1 3 371.437 3.495 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-]Cc1ccccc1-c1ccncc1 ZINC000366180959 498810568 /nfs/dbraw/zinc/81/05/68/498810568.db2.gz FJCHHCWLBSFGBL-UHFFFAOYSA-N -1 3 360.460 3.297 20 0 FGADHM O=C(c1c[n-]c2ccc(Br)cc2c1=O)N1CCC2(CCC2)C1 ZINC000332885599 498823453 /nfs/dbraw/zinc/82/34/53/498823453.db2.gz PVSVQPRTNQSSNV-UHFFFAOYSA-N -1 3 361.239 3.307 20 0 FGADHM Cc1ccc(CS(=O)(=O)[N-]C2(c3noc(C(F)F)n3)CCC2)cc1C ZINC000366211781 498826532 /nfs/dbraw/zinc/82/65/32/498826532.db2.gz FBEAVKUJFAHVPE-UHFFFAOYSA-N -1 3 371.409 3.123 20 0 FGADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@H]1CCCC[C@H]1C(C)C ZINC000326163158 498841234 /nfs/dbraw/zinc/84/12/34/498841234.db2.gz FIQJOVLRSKTGHK-ZFWWWQNUSA-N -1 3 357.447 3.105 20 0 FGADHM Cc1nc(C)c(S(=O)(=O)[N-][C@H]2CCCO[C@H]2c2ccc(C)cc2)s1 ZINC000332987420 498859334 /nfs/dbraw/zinc/85/93/34/498859334.db2.gz AFZULDOOPDLTCF-HOTGVXAUSA-N -1 3 366.508 3.267 20 0 FGADHM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1ccc(Cn2cccn2)cc1 ZINC000327828374 498863851 /nfs/dbraw/zinc/86/38/51/498863851.db2.gz OKVSAMYUASFULN-UHFFFAOYSA-N -1 3 359.426 3.488 20 0 FGADHM COc1cccc(C(=O)N2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)c1[O-] ZINC000287808996 498869239 /nfs/dbraw/zinc/86/92/39/498869239.db2.gz JPYUVEBZXQAXAM-SQNIBIBYSA-N -1 3 353.418 3.046 20 0 FGADHM COc1cccc(C(=O)N2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)c1[O-] ZINC000287808988 498869563 /nfs/dbraw/zinc/86/95/63/498869563.db2.gz JPYUVEBZXQAXAM-KURKYZTESA-N -1 3 353.418 3.046 20 0 FGADHM O=C(N[C@@H]1C[C@H]1C1CCCCC1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000333024189 498873311 /nfs/dbraw/zinc/87/33/11/498873311.db2.gz GAHPQMUINVZALA-RCCFBDPRSA-N -1 3 356.466 3.082 20 0 FGADHM O=C(Nc1cccc([C@H]2CNC(=O)C2)c1)c1cc2c(cc1[O-])CCCC2 ZINC000333109090 498901578 /nfs/dbraw/zinc/90/15/78/498901578.db2.gz XAKDIVHEDXPJGJ-MRXNPFEDSA-N -1 3 350.418 3.127 20 0 FGADHM C[C@@H](Cc1ccc(Br)cc1)C(=O)N=c1cc2ccccn2[n-]1 ZINC000581994326 506108790 /nfs/dbraw/zinc/10/87/90/506108790.db2.gz OWDBIUUZXBRDFR-LBPRGKRZSA-N -1 3 358.239 3.336 20 0 FGADHM Cc1noc([C@H](NC(=O)Cc2ccc([O-])cc2Cl)c2ccccc2)n1 ZINC000366391168 498905393 /nfs/dbraw/zinc/90/53/93/498905393.db2.gz QYWMVEIQKSCDHT-QGZVFWFLSA-N -1 3 357.797 3.185 20 0 FGADHM COc1cc2c(cc1F)[n-]cc(C(=O)NC[C@H]1CCC[C@H]1C1CC1)c2=O ZINC000573069992 506111501 /nfs/dbraw/zinc/11/15/01/506111501.db2.gz BGTMMPSMHRIVQM-OLZOCXBDSA-N -1 3 358.413 3.232 20 0 FGADHM COc1cc2c(cc1F)[n-]cc(C(=O)NC[C@@H]1CCC[C@@H]1C1CC1)c2=O ZINC000573069993 506111746 /nfs/dbraw/zinc/11/17/46/506111746.db2.gz BGTMMPSMHRIVQM-QWHCGFSZSA-N -1 3 358.413 3.232 20 0 FGADHM CS(=O)(=O)[N-]c1cc(C(=O)N2CCC[C@H]2c2ccccc2)ccc1F ZINC000363650034 498924755 /nfs/dbraw/zinc/92/47/55/498924755.db2.gz BUEQGOJBFZKMII-KRWDZBQOSA-N -1 3 362.426 3.175 20 0 FGADHM COc1ccc2c(c1)C[C@@H](C)N(C(=O)c1cc(F)cc3[n-]nnc31)[C@H]2C ZINC000328784589 498937936 /nfs/dbraw/zinc/93/79/36/498937936.db2.gz KFUPVWCOJBSTOY-MNOVXSKESA-N -1 3 354.385 3.254 20 0 FGADHM COc1ccc2c(c1)C[C@@H](C)N(C(=O)c1cc(F)cc3nn[n-]c31)[C@H]2C ZINC000328784589 498937943 /nfs/dbraw/zinc/93/79/43/498937943.db2.gz KFUPVWCOJBSTOY-MNOVXSKESA-N -1 3 354.385 3.254 20 0 FGADHM COc1ccc2c(c1)C[C@@H](C)N(C(=O)c1cc(F)cc3n[n-]nc31)[C@H]2C ZINC000328784589 498937948 /nfs/dbraw/zinc/93/79/48/498937948.db2.gz KFUPVWCOJBSTOY-MNOVXSKESA-N -1 3 354.385 3.254 20 0 FGADHM Cc1ccc(C(C)C)c(OCC(=O)[N-]c2nncn2-c2cccnc2)c1 ZINC000288089465 498942458 /nfs/dbraw/zinc/94/24/58/498942458.db2.gz QMHOLVGXZPRNOU-UHFFFAOYSA-N -1 3 351.410 3.112 20 0 FGADHM C[C@@H]1[C@@H](N=c2[n-]nc(-c3ccccn3)s2)CCN1Cc1ccccc1 ZINC000576257952 506115513 /nfs/dbraw/zinc/11/55/13/506115513.db2.gz KRODOKHNFRSFPS-ZBFHGGJFSA-N -1 3 351.479 3.097 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(N(C(C)=O)[C@H]3C[C@H]3C)cc2)cc1 ZINC000295212746 498945158 /nfs/dbraw/zinc/94/51/58/498945158.db2.gz PNOVRSGFELIRNI-YJYMSZOUSA-N -1 3 374.462 3.257 20 0 FGADHM CC(C)(C)OC(=O)Nc1cccc(CN2CCC[C@H](c3n[n-]c(=O)o3)C2)c1 ZINC000283648865 498947314 /nfs/dbraw/zinc/94/73/14/498947314.db2.gz BCXYSJHFPDJGGJ-AWEZNQCLSA-N -1 3 374.441 3.090 20 0 FGADHM O=C(c1ccc2c(c1[O-])CCCC2)N1CC(n2cc(-c3ccccc3)nn2)C1 ZINC000333247104 498951551 /nfs/dbraw/zinc/95/15/51/498951551.db2.gz JOYUGLXFINTIQB-UHFFFAOYSA-N -1 3 374.444 3.227 20 0 FGADHM Cc1cc(F)cc(NC(=O)NC2CCN(C(=O)c3cccc([O-])c3)CC2)c1 ZINC000366576502 498985815 /nfs/dbraw/zinc/98/58/15/498985815.db2.gz KCYRZHPTZSVJOA-UHFFFAOYSA-N -1 3 371.412 3.266 20 0 FGADHM Cc1nc(C)c(CCC(=O)N[C@H]2CCCC[C@H]2CC(F)(F)F)c(=O)[n-]1 ZINC000295347001 498987392 /nfs/dbraw/zinc/98/73/92/498987392.db2.gz AEMMGQTVPBUMJQ-JSGCOSHPSA-N -1 3 359.392 3.359 20 0 FGADHM CCC[C@@H](C)[C@H](CO)[N-]S(=O)(=O)c1ccc(-c2csc(C)n2)s1 ZINC000582067165 506126020 /nfs/dbraw/zinc/12/60/20/506126020.db2.gz ISJBROAUZXGSMB-PWSUYJOCSA-N -1 3 374.553 3.255 20 0 FGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000299260869 499009245 /nfs/dbraw/zinc/00/92/45/499009245.db2.gz QXPQQLSYYUCDSJ-HBUWYVDXSA-N -1 3 368.481 3.426 20 0 FGADHM O=C([O-])c1nc(-c2ccccc2)oc1CN1CCC(OCC2CC2)CC1 ZINC000579240194 506127344 /nfs/dbraw/zinc/12/73/44/506127344.db2.gz FEMSLEGEUBFABT-UHFFFAOYSA-N -1 3 356.422 3.431 20 0 FGADHM CCOc1cc(C(=O)N2C[C@@H](N3CCCC3)C[C@@H]2C)cc(Cl)c1[O-] ZINC000288481333 499035975 /nfs/dbraw/zinc/03/59/75/499035975.db2.gz QYFNQHKYWLYJIC-JSGCOSHPSA-N -1 3 352.862 3.143 20 0 FGADHM CCC(CC)(CC(=O)NC[C@H]1CCCN(Cc2cccs2)C1)C(=O)[O-] ZINC000299436044 499057865 /nfs/dbraw/zinc/05/78/65/499057865.db2.gz DLFAXOGHXJHGHZ-OAHLLOKOSA-N -1 3 366.527 3.357 20 0 FGADHM O=S(=O)(CCC(F)(F)F)[N-][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000284237660 499074456 /nfs/dbraw/zinc/07/44/56/499074456.db2.gz JNWFVIHCQYHCMS-VXGBXAGGSA-N -1 3 357.781 3.042 20 0 FGADHM Cc1nc([C@@H](C)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)oc1-c1ccc(Cl)cc1 ZINC000329227843 499077775 /nfs/dbraw/zinc/07/77/75/499077775.db2.gz BISCLOHVZRZJSL-RISCZKNCSA-N -1 3 374.828 3.441 20 0 FGADHM CCC[C@H](OC)C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000295713258 499086186 /nfs/dbraw/zinc/08/61/86/499086186.db2.gz CWIKIFRARMQAJT-INIZCTEOSA-N -1 3 368.861 3.038 20 0 FGADHM CC(C)(C)C[C@@H](CC(=O)[O-])NCc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000284357259 499094740 /nfs/dbraw/zinc/09/47/40/499094740.db2.gz WKQJZOLROIKFRQ-LLVKDONJSA-N -1 3 368.840 3.429 20 0 FGADHM O=S(=O)(Cc1n[n-]c(-c2cccs2)n1)c1ccc(F)c(Cl)c1 ZINC000573171876 506134650 /nfs/dbraw/zinc/13/46/50/506134650.db2.gz UOVZBKHWWWYJNW-UHFFFAOYSA-N -1 3 357.819 3.300 20 0 FGADHM O=S(=O)(Cc1nnc(-c2cccs2)[n-]1)c1ccc(F)c(Cl)c1 ZINC000573171876 506134652 /nfs/dbraw/zinc/13/46/52/506134652.db2.gz UOVZBKHWWWYJNW-UHFFFAOYSA-N -1 3 357.819 3.300 20 0 FGADHM O=S(=O)(Cc1nc(-c2cccs2)n[n-]1)c1ccc(F)c(Cl)c1 ZINC000573171876 506134653 /nfs/dbraw/zinc/13/46/53/506134653.db2.gz UOVZBKHWWWYJNW-UHFFFAOYSA-N -1 3 357.819 3.300 20 0 FGADHM COc1cc(C(=O)N2CCCC[C@H]2c2nnc([C@H]3CCCO3)o2)ccc1[O-] ZINC000291964186 499111936 /nfs/dbraw/zinc/11/19/36/499111936.db2.gz VNZUGFBBSPFZMA-DZGCQCFKSA-N -1 3 373.409 3.003 20 0 FGADHM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C[C@@]2(C)CCO[C@@H]2C2CC2)c1 ZINC000364127067 499120249 /nfs/dbraw/zinc/12/02/49/499120249.db2.gz NBHLLRQBOFFVSF-IAGOWNOFSA-N -1 3 371.886 3.026 20 0 FGADHM Cc1ccc(-c2cnc(C[N-]S(=O)(=O)Cc3ccc(F)cc3)o2)cc1 ZINC000372624651 499155274 /nfs/dbraw/zinc/15/52/74/499155274.db2.gz HZAHARMLNYJAFU-UHFFFAOYSA-N -1 3 360.410 3.409 20 0 FGADHM Cc1c([N-]S(=O)(=O)C=Cc2ccc(F)cc2)n[nH]c1-c1ccncc1 ZINC000367215645 499162989 /nfs/dbraw/zinc/16/29/89/499162989.db2.gz KLASLDYJRDCUBQ-DHZHZOJOSA-N -1 3 358.398 3.332 20 0 FGADHM O=C([N-]c1nnc(C2CCOCC2)s1)c1cnc(-c2ccccc2)nc1 ZINC000579273745 506133848 /nfs/dbraw/zinc/13/38/48/506133848.db2.gz YXVAAUJMFPZVKY-UHFFFAOYSA-N -1 3 367.434 3.141 20 0 FGADHM O=c1cc(CN2CC[C@@H](c3ccccc3)[C@@H](CO)C2)c2ccc([O-])cc2o1 ZINC000367244741 499167256 /nfs/dbraw/zinc/16/72/56/499167256.db2.gz SANBJQCZEVEVGG-MJGOQNOKSA-N -1 3 365.429 3.097 20 0 FGADHM CSc1ccc(C(=O)N2CCC(c3nnc4ccccn43)CC2)c([O-])c1 ZINC000370069854 499174098 /nfs/dbraw/zinc/17/40/98/499174098.db2.gz KTNYWVAEXMOILL-UHFFFAOYSA-N -1 3 368.462 3.177 20 0 FGADHM O=C(Cc1ccc([O-])cc1Cl)N1CCC(c2noc(C(F)F)n2)CC1 ZINC000370081604 499176872 /nfs/dbraw/zinc/17/68/72/499176872.db2.gz MANXEIKRYPFVCA-UHFFFAOYSA-N -1 3 371.771 3.315 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC[C@@H](C[C@@H]4CCOC4)C3)nc2)n1 ZINC000367358189 499188014 /nfs/dbraw/zinc/18/80/14/499188014.db2.gz HSHWLSSDULMATL-HOTGVXAUSA-N -1 3 368.481 3.450 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cnc([C@@H](C)O)s3)c2)n1 ZINC000367394891 499193732 /nfs/dbraw/zinc/19/37/32/499193732.db2.gz SNGJCHYLKYNFRV-SNVBAGLBSA-N -1 3 370.434 3.174 20 0 FGADHM CCc1cc(=O)[n-]c(CN[C@H](c2nc(-c3ccccc3)no2)C(C)C)n1 ZINC000367568694 499213543 /nfs/dbraw/zinc/21/35/43/499213543.db2.gz ADIBOEODUWVHAR-KRWDZBQOSA-N -1 3 353.426 3.282 20 0 FGADHM Cc1cccc([C@@]2(F)CCN(C(=O)CCc3c(C)nc(C)[n-]c3=O)C2)c1 ZINC000367639617 499220568 /nfs/dbraw/zinc/22/05/68/499220568.db2.gz WCBYCMLYUZQGSI-HXUWFJFHSA-N -1 3 357.429 3.137 20 0 FGADHM CC[C@@H](NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)C(C)(C)c1ccccc1 ZINC000579297900 506138749 /nfs/dbraw/zinc/13/87/49/506138749.db2.gz XHNOGYZIMVOXQH-QGZVFWFLSA-N -1 3 350.418 3.056 20 0 FGADHM O=C(Cc1ccc([O-])cc1Cl)NC[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000370688666 499244451 /nfs/dbraw/zinc/24/44/51/499244451.db2.gz GZKAHSJOCJCECY-INIZCTEOSA-N -1 3 373.884 3.012 20 0 FGADHM CC(=O)N1CCCCC[C@H]1C1CCN(C(=O)c2cccc(C)c2[O-])CC1 ZINC000370803003 499255860 /nfs/dbraw/zinc/25/58/60/499255860.db2.gz PGLIAUAYWNCJFJ-IBGZPJMESA-N -1 3 358.482 3.344 20 0 FGADHM COc1cccc([C@@H](NC(=O)c2cc([O-])ccc2Cl)c2nccn2C)c1 ZINC000368067642 499260873 /nfs/dbraw/zinc/26/08/73/499260873.db2.gz ZMNFGWZCFVGMNT-QGZVFWFLSA-N -1 3 371.824 3.307 20 0 FGADHM CCc1cc(C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)ccc1[O-] ZINC000368241595 499277428 /nfs/dbraw/zinc/27/74/28/499277428.db2.gz OHUBIRWWLYVXMY-UHFFFAOYSA-N -1 3 352.434 3.446 20 0 FGADHM CC(C)(O)CN1CCc2c(cccc2NC(=O)c2ccc([O-])c(Cl)c2)C1 ZINC000368248673 499277956 /nfs/dbraw/zinc/27/79/56/499277956.db2.gz FQRRJOMOTPHXNK-UHFFFAOYSA-N -1 3 374.868 3.427 20 0 FGADHM CCc1cc(C(=O)N2CCC[C@@H]2c2ccc(CNC(C)=O)o2)ccc1[O-] ZINC000368276896 499280625 /nfs/dbraw/zinc/28/06/25/499280625.db2.gz OCIFUINAGBFXGO-QGZVFWFLSA-N -1 3 356.422 3.161 20 0 FGADHM COc1cc(C(=O)Nc2cccc(-c3noc(C)n3)c2)cc(OC)c1[O-] ZINC000368350579 499287549 /nfs/dbraw/zinc/28/75/49/499287549.db2.gz YEDDJFFQWQFCRL-UHFFFAOYSA-N -1 3 355.350 3.020 20 0 FGADHM CCN=c1[n-]c(C(=O)Nc2cnn(-c3ccc(Cl)cc3)c2C)cs1 ZINC000579299357 506139732 /nfs/dbraw/zinc/13/97/32/506139732.db2.gz UDLATLGOLKODJF-UHFFFAOYSA-N -1 3 361.858 3.397 20 0 FGADHM O=C([N-]c1ncn(-c2cccnc2)n1)c1csc(-c2ccc(F)cc2)n1 ZINC000368411320 499293345 /nfs/dbraw/zinc/29/33/45/499293345.db2.gz NSFXZVZUXYFKKL-UHFFFAOYSA-N -1 3 366.381 3.177 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)NC[C@H]2CC[C@@H](c3ccccc3)O2)c1 ZINC000579301453 506140148 /nfs/dbraw/zinc/14/01/48/506140148.db2.gz HNVRYJBUPFIXLS-APWZRJJASA-N -1 3 354.406 3.001 20 0 FGADHM COc1cc(C(=O)N[C@@H](c2ccccn2)C2CCCC2)cc(OC)c1[O-] ZINC000371296629 499306891 /nfs/dbraw/zinc/30/68/91/499306891.db2.gz BFZMODHKCKPWJC-GOSISDBHSA-N -1 3 356.422 3.466 20 0 FGADHM COc1ccc([O-])c(C(=O)Nc2ccc3c(c2)N(C(C)=O)CCS3)c1 ZINC000368776609 499331332 /nfs/dbraw/zinc/33/13/32/499331332.db2.gz GEKOCFLXGGLELJ-UHFFFAOYSA-N -1 3 358.419 3.112 20 0 FGADHM CN(C[C@@H]1CCCN1C(=O)c1c[n-]c2ccccc2c1=O)c1ccccc1 ZINC000368859981 499340669 /nfs/dbraw/zinc/34/06/69/499340669.db2.gz KTSSXHUHQYSXTF-KRWDZBQOSA-N -1 3 361.445 3.269 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N3CC[C@H](O)c4ccccc4C3)c[n-]c12 ZINC000371567520 499342685 /nfs/dbraw/zinc/34/26/85/499342685.db2.gz BIZZYEVMKDLWQA-SFHVURJKSA-N -1 3 366.392 3.055 20 0 FGADHM Cc1noc(C2(C)CCN(Cc3cc(=O)oc4c(C)c([O-])ccc34)CC2)n1 ZINC000371567620 499342740 /nfs/dbraw/zinc/34/27/40/499342740.db2.gz CGPJNTUOEGDQKM-UHFFFAOYSA-N -1 3 369.421 3.052 20 0 FGADHM O=C1[N-]C(=O)C(=CN[C@H](c2ccc(F)cc2)c2cccnc2)c2ccccc21 ZINC000369071759 499362582 /nfs/dbraw/zinc/36/25/82/499362582.db2.gz ILTRLUYXDQABLY-UMSHPIDHSA-N -1 3 373.387 3.211 20 0 FGADHM Cc1ccc2c(ncc(C(=O)[O-])c2N2CCC(O)(C(F)(F)F)CC2)c1C ZINC000570335866 506144557 /nfs/dbraw/zinc/14/45/57/506144557.db2.gz OGPQLRFZDOWQDD-UHFFFAOYSA-N -1 3 368.355 3.443 20 0 FGADHM O=S(=O)(Cc1ccccc1)[N-][C@H](c1noc(C2CC2)n1)c1ccccc1 ZINC000369288086 499387970 /nfs/dbraw/zinc/38/79/70/499387970.db2.gz NKLPZVIEMJQGSU-KRWDZBQOSA-N -1 3 369.446 3.156 20 0 FGADHM CCC[C@H](C)CS(=O)(=O)[N-][C@@H](c1nc(-c2ccncc2)no1)C(C)C ZINC000369293312 499388536 /nfs/dbraw/zinc/38/85/36/499388536.db2.gz LMMABHDNQIONGW-DZGCQCFKSA-N -1 3 366.487 3.184 20 0 FGADHM Cc1ccc([C@H](NCCC[N-]C(=O)C(F)(F)F)c2ccccn2)cc1 ZINC000369312351 499390407 /nfs/dbraw/zinc/39/04/07/499390407.db2.gz NVAMNYYBFOIZKK-INIZCTEOSA-N -1 3 351.372 3.138 20 0 FGADHM CCCC[C@@H](CC)CC(=O)N1CCC(c2n[n-]c(C(=O)OCC)n2)CC1 ZINC000369364889 499396097 /nfs/dbraw/zinc/39/60/97/499396097.db2.gz ZHYAMYUUMRQWPL-CQSZACIVSA-N -1 3 364.490 3.294 20 0 FGADHM CCCC[C@@H](CC)CC(=O)N1CCC(c2nnc(C(=O)OCC)[n-]2)CC1 ZINC000369364889 499396098 /nfs/dbraw/zinc/39/60/98/499396098.db2.gz ZHYAMYUUMRQWPL-CQSZACIVSA-N -1 3 364.490 3.294 20 0 FGADHM Cc1cn2c(n1)[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)CCC2 ZINC000372132870 499401823 /nfs/dbraw/zinc/40/18/23/499401823.db2.gz ZEKMDCYDLJWBKC-LLVKDONJSA-N -1 3 374.293 3.354 20 0 FGADHM Cc1nnc(-c2cccc(NC(=O)Cc3ccc([O-])cc3Cl)c2)n1C ZINC000372193000 499407513 /nfs/dbraw/zinc/40/75/13/499407513.db2.gz RTRIQLWNKJIBKG-UHFFFAOYSA-N -1 3 356.813 3.331 20 0 FGADHM Cc1ccccc1/C=C/C(=O)NC1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000369758726 499441039 /nfs/dbraw/zinc/44/10/39/499441039.db2.gz APIDHCVJANASAI-MDZDMXLPSA-N -1 3 364.445 3.135 20 0 FGADHM CSc1ccc(C(=O)N2CCCC[C@H]2c2nnc3n2CCCC3)c([O-])c1 ZINC000373043742 499448629 /nfs/dbraw/zinc/44/86/29/499448629.db2.gz DEQCAWMYTBAUJI-HNNXBMFYSA-N -1 3 372.494 3.409 20 0 FGADHM O=S(=O)(Cc1noc2ccccc21)[N-][C@@H]1COc2c1cccc2Cl ZINC000373377515 499466313 /nfs/dbraw/zinc/46/63/13/499466313.db2.gz KOPXGCZPNHTSHU-CYBMUJFWSA-N -1 3 364.810 3.034 20 0 FGADHM CN1CC[C@@H](CNC(=O)c2cc(F)c([O-])c(F)c2)[C@@H]1c1cccs1 ZINC000373408317 499467979 /nfs/dbraw/zinc/46/79/79/499467979.db2.gz OENRUGPGPFJGMT-ZUZCIYMTSA-N -1 3 352.406 3.155 20 0 FGADHM [O-]c1cc(F)cc(CN2CCCC[C@@H]2c2nc(-c3ncccn3)no2)c1 ZINC000373492597 499473021 /nfs/dbraw/zinc/47/30/21/499473021.db2.gz CYEKBXRMVHKDSU-OAHLLOKOSA-N -1 3 355.373 3.099 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2cc(-c3cnccn3)ccc2C)cc1 ZINC000373508370 499473839 /nfs/dbraw/zinc/47/38/39/499473839.db2.gz GOJAFBHOIAETER-UHFFFAOYSA-N -1 3 355.419 3.261 20 0 FGADHM C[C@@H]1C[C@H](NC(=O)c2ccc(C(=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000379640244 499541869 /nfs/dbraw/zinc/54/18/69/499541869.db2.gz TZUPXHDYJAFWFE-DNVCBOLYSA-N -1 3 352.434 3.168 20 0 FGADHM O=c1cc(CN2CC[C@@H](C3CCOCC3)C2)c2cc(Cl)c([O-])cc2o1 ZINC000375676666 499544344 /nfs/dbraw/zinc/54/43/44/499544344.db2.gz OUFPTRKCQMZOHL-CYBMUJFWSA-N -1 3 363.841 3.401 20 0 FGADHM CO[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Br)C(C)C ZINC000381260527 499544646 /nfs/dbraw/zinc/54/46/46/499544646.db2.gz DTHQUQYRJHPIGS-NSHDSACASA-N -1 3 370.696 3.052 20 0 FGADHM COC[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Br)C(C)C ZINC000381867876 499545315 /nfs/dbraw/zinc/54/53/15/499545315.db2.gz VXUWAPPXTQEZMD-NSHDSACASA-N -1 3 370.696 3.052 20 0 FGADHM O=C(N=c1[nH][n-]cc1Br)c1csc(-c2cccs2)n1 ZINC000388499367 499551244 /nfs/dbraw/zinc/55/12/44/499551244.db2.gz GXRKFNRXNAKFFW-UHFFFAOYSA-N -1 3 355.242 3.031 20 0 FGADHM CC[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(Br)ccc1OC ZINC000388740040 499551625 /nfs/dbraw/zinc/55/16/25/499551625.db2.gz UHERFYIVDMVFFU-JQWIXIFHSA-N -1 3 362.289 3.315 20 0 FGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1c(F)cccc1Br ZINC000389560474 499552931 /nfs/dbraw/zinc/55/29/31/499552931.db2.gz BJOFJDGZOXRYQE-UHFFFAOYSA-N -1 3 362.162 3.021 20 0 FGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1c(F)cccc1Br ZINC000389560474 499552932 /nfs/dbraw/zinc/55/29/32/499552932.db2.gz BJOFJDGZOXRYQE-UHFFFAOYSA-N -1 3 362.162 3.021 20 0 FGADHM CCc1cc2c(CN3CCC[C@@H](c4noc(C)n4)C3)cc(=O)oc2cc1[O-] ZINC000375764081 499553041 /nfs/dbraw/zinc/55/30/41/499553041.db2.gz LSEXCINESIANIN-CQSZACIVSA-N 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ZINC000376421661 499607498 /nfs/dbraw/zinc/60/74/98/499607498.db2.gz QLIWTNWXFADIBN-UHFFFAOYSA-N -1 3 364.453 3.222 20 0 FGADHM [O-]c1ccc(Br)c(CN2CCC(OC[C@@H]3CCOC3)CC2)c1 ZINC000376507826 499613437 /nfs/dbraw/zinc/61/34/37/499613437.db2.gz XUADUNCSEYXDJC-CYBMUJFWSA-N -1 3 370.287 3.172 20 0 FGADHM O=S(=O)([N-]CCc1cccc2[nH]ccc21)c1cc(F)c(F)c(F)c1 ZINC000409928932 499630074 /nfs/dbraw/zinc/63/00/74/499630074.db2.gz YLWDDDXMDDGVBU-UHFFFAOYSA-N -1 3 354.353 3.106 20 0 FGADHM COc1cc([C@@H]2CCCN2C(=O)c2cccc([O-])c2)cc(OC)c1OC ZINC000376847661 499640255 /nfs/dbraw/zinc/64/02/55/499640255.db2.gz XREUGQMIDSOCNJ-INIZCTEOSA-N -1 3 357.406 3.395 20 0 FGADHM O=C(Cc1ccc([O-])cc1Cl)N[C@H](CO)c1cccc(Cl)c1F ZINC000410096065 499641098 /nfs/dbraw/zinc/64/10/98/499641098.db2.gz CFFHOIBESSNFLO-CQSZACIVSA-N -1 3 358.196 3.230 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)c2cccc(CN3CCCC3)c2)c1-c1ccncc1 ZINC000377023480 499654819 /nfs/dbraw/zinc/65/48/19/499654819.db2.gz RXWZTOFXVMKBHE-UHFFFAOYSA-N -1 3 361.449 3.050 20 0 FGADHM Cc1nc(C2CCN(C(=O)c3cc([O-])ccc3C(F)(F)F)CC2)no1 ZINC000377072136 499659276 /nfs/dbraw/zinc/65/92/76/499659276.db2.gz IBEIZXYTHPFZKL-UHFFFAOYSA-N -1 3 355.316 3.122 20 0 FGADHM Cc1ccc(-c2ccnn2C)cc1[N-]S(=O)(=O)c1ccc(N(C)C)cc1 ZINC000410415435 499661362 /nfs/dbraw/zinc/66/13/62/499661362.db2.gz DPEAIZVWVHOTIL-UHFFFAOYSA-N -1 3 370.478 3.262 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@H]2C[C@H]2c2cccc(F)c2F)c1-c1ccncc1 ZINC000377124300 499664309 /nfs/dbraw/zinc/66/43/09/499664309.db2.gz DWDKGHOXWRXGEV-KBPBESRZSA-N -1 3 354.360 3.222 20 0 FGADHM Cc1cc(O[C@@H](C)C(=O)[N-]c2nncn2-c2cccnc2)ccc1Cl ZINC000377192311 499669432 /nfs/dbraw/zinc/66/94/32/499669432.db2.gz JDIMXJFEZMMJBM-LBPRGKRZSA-N -1 3 357.801 3.030 20 0 FGADHM CCCCc1nc(C(=O)OCC)c(NC(=O)c2csc(C(C)=O)c2)[n-]1 ZINC000410752517 499676702 /nfs/dbraw/zinc/67/67/02/499676702.db2.gz GWMZFBLERSPDKH-UHFFFAOYSA-N -1 3 363.439 3.445 20 0 FGADHM CCCCc1nc(NC(=O)c2csc(C(C)=O)c2)c(C(=O)OCC)[n-]1 ZINC000410752517 499676703 /nfs/dbraw/zinc/67/67/03/499676703.db2.gz GWMZFBLERSPDKH-UHFFFAOYSA-N -1 3 363.439 3.445 20 0 FGADHM COc1ccccc1N1C[C@H](c2nc(-c3ccc([O-])cc3)no2)CCC1=O ZINC000377417556 499688535 /nfs/dbraw/zinc/68/85/35/499688535.db2.gz GXNWRHZYVJWJPY-CQSZACIVSA-N -1 3 365.389 3.361 20 0 FGADHM C[C@H]1CCCN(C(=O)C2CCN(C(=O)c3cc([O-])ccc3Cl)CC2)C1 ZINC000377759079 499729864 /nfs/dbraw/zinc/72/98/64/499729864.db2.gz GKGCIQMJJVUKCB-ZDUSSCGKSA-N -1 3 364.873 3.156 20 0 FGADHM CC[C@@H](C)[C@H]1CCCCN1C(=O)C(=O)[N-]c1nccn1-c1ccccc1 ZINC000411407684 499736151 /nfs/dbraw/zinc/73/61/51/499736151.db2.gz JWWZSFNVVNEWMI-NVXWUHKLSA-N -1 3 354.454 3.238 20 0 FGADHM CC(=O)c1ccc(C(=O)N2CCO[C@H](c3ccc(Cl)cc3)C2)cc1[O-] ZINC000411540983 499752776 /nfs/dbraw/zinc/75/27/76/499752776.db2.gz NZZYQXJBWSFATP-SFHVURJKSA-N -1 3 359.809 3.462 20 0 FGADHM Cc1cccc(NC2CCN(C(=O)c3c([O-])cnc4ccccc43)CC2)n1 ZINC000378095252 499758615 /nfs/dbraw/zinc/75/86/15/499758615.db2.gz VPQXBAQVUKYLQO-UHFFFAOYSA-N -1 3 362.433 3.361 20 0 FGADHM CC[C@@H]1CCCC[C@@H]1CNC(=O)C(=O)[N-]c1nccn1-c1ccccc1 ZINC000411568206 499764049 /nfs/dbraw/zinc/76/40/49/499764049.db2.gz JVCRHHHJJFEFHT-HZPDHXFCSA-N -1 3 354.454 3.143 20 0 FGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]CCOCC3CCC3)s2)cs1 ZINC000576442096 506159270 /nfs/dbraw/zinc/15/92/70/506159270.db2.gz JQORWALFIDLCDO-UHFFFAOYSA-N -1 3 372.537 3.275 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]c2ccc(CN(C)C)cc2F)c(F)cc1F ZINC000414394612 499786195 /nfs/dbraw/zinc/78/61/95/499786195.db2.gz KURMMRYZBGBMDB-UHFFFAOYSA-N -1 3 358.385 3.275 20 0 FGADHM CC[C@@H](NC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1)[C@@H](O)C(C)C ZINC000414412654 499788655 /nfs/dbraw/zinc/78/86/55/499788655.db2.gz LAKUYTVWHRRNHS-QAPCUYQASA-N -1 3 358.442 3.075 20 0 FGADHM COC(=O)c1cc([N-]S(=O)(=O)Cc2ccc(C)c(F)c2)c(C)s1 ZINC000414456624 499794464 /nfs/dbraw/zinc/79/44/64/499794464.db2.gz HIPKLSHGAHIWOR-UHFFFAOYSA-N -1 3 357.428 3.233 20 0 FGADHM CCCc1ccc(S(=O)(=O)[N-]c2[nH]nc(C)c2Br)cc1 ZINC000414471460 499796383 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363.439 3.064 20 0 FGADHM CC[C@H](CC(F)F)C(=O)N=c1[nH][n-]c(C)c1-c1ccc2c(c1)OCCO2 ZINC000412204076 499833640 /nfs/dbraw/zinc/83/36/40/499833640.db2.gz WEIDKFHOZOCZCT-LLVKDONJSA-N -1 3 365.380 3.198 20 0 FGADHM CCN(CC)C(=O)CCC1CCN(C(=O)c2ccc(C(C)=O)c([O-])c2)CC1 ZINC000412245520 499837524 /nfs/dbraw/zinc/83/75/24/499837524.db2.gz NVPZPUCCIZNTMV-UHFFFAOYSA-N -1 3 374.481 3.096 20 0 FGADHM CC(=O)c1ccc(C(=O)N[C@H]2CCO[C@H](c3ccc(F)cc3)C2)cc1[O-] ZINC000412243790 499837549 /nfs/dbraw/zinc/83/75/49/499837549.db2.gz BSSKIIUTZBDVRJ-LPHOPBHVSA-N -1 3 357.381 3.384 20 0 FGADHM CC(C)[C@H](CCc1ccccc1)C(=O)N=c1[nH][n-]cc1Br ZINC000412331766 499845622 /nfs/dbraw/zinc/84/56/22/499845622.db2.gz BZJODRLJSFZHEL-ZDUSSCGKSA-N -1 3 350.260 3.438 20 0 FGADHM CC(=O)c1ccc(C(=O)NC(C)(C)c2cc(C(F)(F)F)on2)cc1[O-] ZINC000412412950 499852747 /nfs/dbraw/zinc/85/27/47/499852747.db2.gz DUVIWYJJBYRJBI-UHFFFAOYSA-N -1 3 356.300 3.267 20 0 FGADHM CC(=O)c1ccc(C(=O)N2CCC3(CC2)OCCc2ccccc23)cc1[O-] ZINC000412425981 499853294 /nfs/dbraw/zinc/85/32/94/499853294.db2.gz NKBXQOQVIMSFRD-UHFFFAOYSA-N -1 3 365.429 3.299 20 0 FGADHM CC[C@@H](c1n[n-]c(=NC(=O)N2CCC[C@H](C)[C@@H]2CN)s1)c1ccccc1 ZINC000415166679 499872180 /nfs/dbraw/zinc/87/21/80/499872180.db2.gz NMILHRDKOQZPIC-IMJJTQAJSA-N -1 3 373.526 3.093 20 0 FGADHM COCCn1c2ccccc2nc1SCc1cc(=O)[n-]c(C2CC2)n1 ZINC000412980415 499902109 /nfs/dbraw/zinc/90/21/09/499902109.db2.gz DXABEDYHUNFRKE-UHFFFAOYSA-N -1 3 356.451 3.348 20 0 FGADHM O=c1cc(COc2ccccc2I)nc(C2CC2)[n-]1 ZINC000412993630 499902986 /nfs/dbraw/zinc/90/29/86/499902986.db2.gz OUGGPWKCRKVIOJ-UHFFFAOYSA-N -1 3 368.174 3.243 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C[C@H](C)c3cnn(C)c3)c2)n1 ZINC000413173810 499922297 /nfs/dbraw/zinc/92/22/97/499922297.db2.gz PLZQBBABZKIVPS-ZDUSSCGKSA-N -1 3 365.437 3.277 20 0 FGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C(C)(C)CC(F)F)cc1OC ZINC000413194602 499925356 /nfs/dbraw/zinc/92/53/56/499925356.db2.gz BRACUTMXAVQEBA-UHFFFAOYSA-N -1 3 364.414 3.077 20 0 FGADHM CCOC(=O)c1cc2cc([N-]S(=O)(=O)C[C@@H](CC)OC)ccc2s1 ZINC000421138003 499968294 /nfs/dbraw/zinc/96/82/94/499968294.db2.gz AFQQDYWKTOENLL-CYBMUJFWSA-N -1 3 371.480 3.245 20 0 FGADHM CC[C@@H](CS(=O)(=O)[N-]c1ccc(Cl)c(Br)c1)OC ZINC000421149922 499973009 /nfs/dbraw/zinc/97/30/09/499973009.db2.gz IGOHPAACKGRWNJ-VIFPVBQESA-N -1 3 356.669 3.269 20 0 FGADHM CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1cc(-c2ncco2)ccc1C ZINC000421156162 499974896 /nfs/dbraw/zinc/97/48/96/499974896.db2.gz ORHKUZBBPISIIB-OAHLLOKOSA-N -1 3 352.456 3.453 20 0 FGADHM CC[C@H](CS(=O)(=O)[N-]c1ccc(Sc2ncccn2)cc1C)OC ZINC000421156096 499975134 /nfs/dbraw/zinc/97/51/34/499975134.db2.gz PKAGXTHCTQTSOH-CYBMUJFWSA-N -1 3 367.496 3.103 20 0 FGADHM COc1cc(C(=O)NC[C@@H](CC(C)C)C(=O)OC(C)(C)C)ccc1[O-] ZINC000424956315 499976975 /nfs/dbraw/zinc/97/69/75/499976975.db2.gz QYTMCZRFFANRFJ-CQSZACIVSA-N -1 3 351.443 3.135 20 0 FGADHM CC[C@H](CS(=O)(=O)[N-]c1cccc(CCC(=O)OC(C)(C)C)c1)OC ZINC000421166481 499979311 /nfs/dbraw/zinc/97/93/11/499979311.db2.gz 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CC(C)c1nc(S(=O)(=O)[N-][C@H]2CCSc3ccc(F)cc32)cn1C ZINC000416376400 500031409 /nfs/dbraw/zinc/03/14/09/500031409.db2.gz OVAWXFGLAJEXQH-ZDUSSCGKSA-N -1 3 369.487 3.198 20 0 FGADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)C1CCC(F)(F)CC1 ZINC000425194988 500041520 /nfs/dbraw/zinc/04/15/20/500041520.db2.gz PMTDCAKSHSJWCR-UHFFFAOYSA-N -1 3 357.831 3.074 20 0 FGADHM CC[C@](C)([N-]S(=O)(=O)c1ccc(Cl)c(OC)c1)c1nccs1 ZINC000416458960 500046122 /nfs/dbraw/zinc/04/61/22/500046122.db2.gz JSKVHODUTSANHE-AWEZNQCLSA-N -1 3 360.888 3.409 20 0 FGADHM C[C@@H](CCCC(F)(F)F)[N-]S(=O)(=O)c1cn2c(n1)CCC[C@H]2C ZINC000416473250 500049322 /nfs/dbraw/zinc/04/93/22/500049322.db2.gz VROFRPOBLRKDJL-WDEREUQCSA-N -1 3 353.410 3.180 20 0 FGADHM CC(C)(CO)[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1F)c1ccccc1 ZINC000429315516 500050481 /nfs/dbraw/zinc/05/04/81/500050481.db2.gz GRUVMJXCIXHEQQ-INIZCTEOSA-N -1 3 355.406 3.003 20 0 FGADHM CC1(C)C[C@@H](C[N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)CCO1 ZINC000416499708 500052913 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20 0 FGADHM CCCC(O)(CCC)C[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000443290602 500705085 /nfs/dbraw/zinc/70/50/85/500705085.db2.gz YWXDFESSFKNPBS-UHFFFAOYSA-N -1 3 353.406 3.315 20 0 FGADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]C[C@]1(C)CCCC[C@@H]1O ZINC000443341547 500712920 /nfs/dbraw/zinc/71/29/20/500712920.db2.gz LZUSLGDGAFGQAM-RDJZCZTQSA-N -1 3 355.431 3.100 20 0 FGADHM CCN(Cc1c[nH]c2ccccc12)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000443377809 500716754 /nfs/dbraw/zinc/71/67/54/500716754.db2.gz BOYKYGWRCNTJHM-UHFFFAOYSA-N -1 3 371.462 3.202 20 0 FGADHM COC(=O)[C@@H]([N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1)C(C)C ZINC000433625642 500722943 /nfs/dbraw/zinc/72/29/43/500722943.db2.gz MSQCVOXLKOMEGE-ZDUSSCGKSA-N -1 3 361.872 3.031 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)N[C@H]1C[C@@H]1c1ccccc1OC(F)F ZINC000438014603 500728428 /nfs/dbraw/zinc/72/84/28/500728428.db2.gz CEXROVPYGCUQEF-OCCSQVGLSA-N -1 3 366.339 3.488 20 0 FGADHM Cc1nc(-c2ccc(NC(=O)N[C@@H](CO)CC(C)(C)C)cc2)cc(=O)[n-]1 ZINC000448233537 500736365 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CN(C)CCc1ccccc1[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000438258431 500760470 /nfs/dbraw/zinc/76/04/70/500760470.db2.gz YTQWRHPDNJZUOM-UHFFFAOYSA-N -1 3 356.850 3.384 20 0 FGADHM Cc1ccc(-n2cc(C(=O)[N-]c3cc(-c4ccccc4F)on3)nn2)cc1 ZINC000448492483 500765455 /nfs/dbraw/zinc/76/54/55/500765455.db2.gz NEKWFQGOMCSERL-UHFFFAOYSA-N -1 3 363.352 3.044 20 0 FGADHM CS(=O)(=O)[N-]c1cc(NC(=O)c2cccc3c2CCCC3)ccc1F ZINC000448636603 500791188 /nfs/dbraw/zinc/79/11/88/500791188.db2.gz BNWWBXKYSYBDKI-UHFFFAOYSA-N -1 3 362.426 3.328 20 0 FGADHM CCN(CC)Cc1cccc([N-]S(=O)(=O)c2ccccc2COC)c1 ZINC000444066509 500798724 /nfs/dbraw/zinc/79/87/24/500798724.db2.gz XSHGZLFPZSWHMH-UHFFFAOYSA-N -1 3 362.495 3.476 20 0 FGADHM COC1CCC(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2F)CC1 ZINC000444079428 500800492 /nfs/dbraw/zinc/80/04/92/500800492.db2.gz WALRVJDUHSEDBH-UHFFFAOYSA-N -1 3 369.380 3.328 20 0 FGADHM CCOCc1ccc([N-]S(=O)(=O)CCOc2ccc(OC)cc2)cc1 ZINC000438725788 500815772 /nfs/dbraw/zinc/81/57/72/500815772.db2.gz 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500857453 /nfs/dbraw/zinc/85/74/53/500857453.db2.gz RJOZFAFTHZBRLX-UHFFFAOYSA-N -1 3 353.813 3.482 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)C1(Cc2ccccc2Cl)CC1 ZINC000439108220 500857455 /nfs/dbraw/zinc/85/74/55/500857455.db2.gz RJOZFAFTHZBRLX-UHFFFAOYSA-N -1 3 353.813 3.482 20 0 FGADHM Cc1cc(NC(=O)c2cc(-c3ccc(C)o3)[n-]n2)n(C2CCOCC2)n1 ZINC000434552122 500859672 /nfs/dbraw/zinc/85/96/72/500859672.db2.gz OXOUOPFYADQWAI-UHFFFAOYSA-N -1 3 355.398 3.087 20 0 FGADHM Cc1cc(NC(=O)c2cc(-c3ccc(C)o3)n[n-]2)n(C2CCOCC2)n1 ZINC000434552122 500859675 /nfs/dbraw/zinc/85/96/75/500859675.db2.gz OXOUOPFYADQWAI-UHFFFAOYSA-N -1 3 355.398 3.087 20 0 FGADHM O=C(N=c1cc(-c2ccccc2)[n-][nH]1)c1ccc(OCC(F)(F)F)cn1 ZINC000434622739 500867416 /nfs/dbraw/zinc/86/74/16/500867416.db2.gz HZICCSHRHXXAFF-UHFFFAOYSA-N -1 3 362.311 3.087 20 0 FGADHM O=C(Nc1ccc(Nc2ncccn2)cc1)c1c[n-]c2ccccc2c1=O ZINC000444625005 500869008 /nfs/dbraw/zinc/86/90/08/500869008.db2.gz YMPSSJRGOHKVAK-UHFFFAOYSA-N -1 3 357.373 3.314 20 0 FGADHM O=C(Nc1ccc(Nc2ncccn2)cc1)c1cnc2ccccc2c1[O-] ZINC000444625005 500869010 /nfs/dbraw/zinc/86/90/10/500869010.db2.gz YMPSSJRGOHKVAK-UHFFFAOYSA-N -1 3 357.373 3.314 20 0 FGADHM O=S(=O)([N-]CCCO[C@@H]1CCCCO1)c1cc(Cl)cc(Cl)c1 ZINC000439197346 500869279 /nfs/dbraw/zinc/86/92/79/500869279.db2.gz HQUHPRVVGOFKIJ-CQSZACIVSA-N -1 3 368.282 3.205 20 0 FGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCCN(C(C)C)C2)c1Cl ZINC000435433735 500975599 /nfs/dbraw/zinc/97/55/99/500975599.db2.gz PBPUTCMHXKYSEA-GFCCVEGCSA-N -1 3 365.326 3.453 20 0 FGADHM O=S(=O)([N-][C@H]1CCN2CCCC[C@H]12)c1c(Cl)cc(F)cc1Cl ZINC000435438044 500977476 /nfs/dbraw/zinc/97/74/76/500977476.db2.gz MUISLLSCQRMPKF-QWHCGFSZSA-N -1 3 367.273 3.038 20 0 FGADHM CCOc1cc(-c2noc([C@@H]3CC(=O)N[C@@H](CC(C)C)C3)n2)ccc1[O-] ZINC000445425254 500983809 /nfs/dbraw/zinc/98/38/09/500983809.db2.gz CAJCOZDCDRHAEC-KBPBESRZSA-N -1 3 359.426 3.249 20 0 FGADHM CCN(CC)[C@H](C[N-]S(=O)(=O)c1cc(C)c(F)cc1F)c1ccco1 ZINC000440390546 501003013 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C[C@H](CO)N(CC1CCC1)C(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000435850800 501036807 /nfs/dbraw/zinc/03/68/07/501036807.db2.gz IFCUPBHMHUXWGW-OAHLLOKOSA-N -1 3 367.445 3.246 20 0 FGADHM COCC(=O)Nc1ccc(-c2noc(/C=C/c3cccc([O-])c3)n2)cc1 ZINC000435947231 501049822 /nfs/dbraw/zinc/04/98/22/501049822.db2.gz AYXVAMCYYVXFKC-BJMVGYQFSA-N -1 3 351.362 3.198 20 0 FGADHM Cc1nc(C)c(CC(=O)N[C@H](C)c2cccc(OC(F)(F)F)c2)c(=O)[n-]1 ZINC000440807414 501050991 /nfs/dbraw/zinc/05/09/91/501050991.db2.gz HXTQEWBWXVMHHQ-SECBINFHSA-N -1 3 369.343 3.118 20 0 FGADHM CC(C)NC(=O)Cc1ccc(NC(=O)c2cn[n-]c2-c2ccsc2)cc1 ZINC000436099300 501070540 /nfs/dbraw/zinc/07/05/40/501070540.db2.gz KNQDVOKMOARXDW-UHFFFAOYSA-N -1 3 368.462 3.458 20 0 FGADHM CC(C)NC(=O)Cc1ccc(NC(=O)c2c[n-]nc2-c2ccsc2)cc1 ZINC000436099300 501070544 /nfs/dbraw/zinc/07/05/44/501070544.db2.gz KNQDVOKMOARXDW-UHFFFAOYSA-N -1 3 368.462 3.458 20 0 FGADHM Cc1cc(NC(=O)c2cc(F)c([O-])c(Cl)c2)n(C2CCN(C)CC2)n1 ZINC000446233126 501092104 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C[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)NCc1ccc([O-])c(F)c1 ZINC000449911229 501124139 /nfs/dbraw/zinc/12/41/39/501124139.db2.gz IEKSEPUYNZLMAQ-ZDUSSCGKSA-N -1 3 372.440 3.264 20 0 FGADHM COC(=O)c1ccc([O-])c(NC(=O)C2CCN(Cc3ccccc3)CC2)c1 ZINC000436504907 501142625 /nfs/dbraw/zinc/14/26/25/501142625.db2.gz LDWMKKDEYLNCJV-UHFFFAOYSA-N -1 3 368.433 3.030 20 0 FGADHM COc1cccc(Oc2ccc(CNC(=O)c3ccc(O)cc3[O-])cn2)c1 ZINC000436515479 501145230 /nfs/dbraw/zinc/14/52/30/501145230.db2.gz RLJHBXSZSQQYRF-UHFFFAOYSA-N -1 3 366.373 3.224 20 0 FGADHM Cc1ccc([O-])c(C(=O)N[C@@H](c2nc(-c3ccncc3)no2)C(C)C)c1 ZINC000436519802 501146371 /nfs/dbraw/zinc/14/63/71/501146371.db2.gz YRFBAKDAWWQMND-MRXNPFEDSA-N -1 3 352.394 3.273 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)NCc2ccc(C3CC3)cc2)c([O-])c1 ZINC000436530379 501149050 /nfs/dbraw/zinc/14/90/50/501149050.db2.gz BUILKLYZFSLDHA-UHFFFAOYSA-N -1 3 352.434 3.014 20 0 FGADHM CC(=O)c1ccc(C(=O)N(C)CC(=O)Nc2c(C)cc(C)cc2C)cc1[O-] ZINC000436531818 501149102 /nfs/dbraw/zinc/14/91/02/501149102.db2.gz PTSHULCXWCIZCN-UHFFFAOYSA-N -1 3 368.433 3.231 20 0 FGADHM CC(C)[C@@H]1CN(C)CCN1C(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436534946 501149712 /nfs/dbraw/zinc/14/97/12/501149712.db2.gz JJYICMFXOISDGQ-FQEVSTJZSA-N -1 3 368.477 3.383 20 0 FGADHM Cn1nc2c(c1NC(=O)c1cc(OCc3ccccc3)ccc1[O-])CCC2 ZINC000436544390 501152686 /nfs/dbraw/zinc/15/26/86/501152686.db2.gz JEMQDKJALJJHAQ-UHFFFAOYSA-N -1 3 363.417 3.446 20 0 FGADHM CC[C@@](C)(NC(=O)c1cc(OCc2ccccc2)ccc1[O-])C(=O)OC ZINC000436545193 501152903 /nfs/dbraw/zinc/15/29/03/501152903.db2.gz RIXLAXMMNIHPDB-HXUWFJFHSA-N -1 3 357.406 3.043 20 0 FGADHM C[S@](=O)Cc1cccc(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)c1 ZINC000436547159 501153323 /nfs/dbraw/zinc/15/33/23/501153323.db2.gz NFYHEWCUIBLXFM-VWLOTQADSA-N -1 3 359.447 3.237 20 0 FGADHM CCOC(=O)[C@H](Cc1ccccc1)N(C(=O)c1cccc(C)c1[O-])C1CC1 ZINC000436557300 501156309 /nfs/dbraw/zinc/15/63/09/501156309.db2.gz TVMQESPJGPOXHZ-IBGZPJMESA-N -1 3 367.445 3.480 20 0 FGADHM CC(=O)Nc1cccc(OCCNC(=O)c2cc3c(cc2[O-])CCCC3)c1 ZINC000436564337 501158102 /nfs/dbraw/zinc/15/81/02/501158102.db2.gz GSNWQSZDIFHVQU-UHFFFAOYSA-N -1 3 368.433 3.038 20 0 FGADHM Cc1ccc(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(F)cc2)c([O-])c1C ZINC000436569274 501159716 /nfs/dbraw/zinc/15/97/16/501159716.db2.gz BZKCMKBFKIHXTK-INIZCTEOSA-N -1 3 374.437 3.302 20 0 FGADHM Cc1cccc(OCCN(C)C(=O)c2c[n-]c3c(C)cccc3c2=O)c1 ZINC000607719726 506237502 /nfs/dbraw/zinc/23/75/02/506237502.db2.gz JSROXHJTVBALLG-UHFFFAOYSA-N -1 3 350.418 3.296 20 0 FGADHM Cc1cc(C(=O)[N-]c2nn3cnnc3s2)sc1-c1ccc(F)cc1 ZINC000588214051 506237490 /nfs/dbraw/zinc/23/74/90/506237490.db2.gz SMLZOOVWBLRSDL-UHFFFAOYSA-N -1 3 359.411 3.036 20 0 FGADHM CCc1nc2ccccc2n1Cc1noc(-c2cccc(OC)c2[O-])n1 ZINC000436577014 501161253 /nfs/dbraw/zinc/16/12/53/501161253.db2.gz QOJJVAJEWYMRLV-UHFFFAOYSA-N -1 3 350.378 3.411 20 0 FGADHM CCN(Cc1ccc2c(c1)OCO2)C(=O)c1c[n-]c2c(C)cccc2c1=O ZINC000607715652 506237639 /nfs/dbraw/zinc/23/76/39/506237639.db2.gz MHEJPHLZHLMUDF-UHFFFAOYSA-N -1 3 364.401 3.228 20 0 FGADHM COc1cc(NC(=O)c2cc3c(cc2[O-])CCCC3)ccc1NC(N)=O ZINC000436581305 501162577 /nfs/dbraw/zinc/16/25/77/501162577.db2.gz FFJQOBFRNNHDNJ-UHFFFAOYSA-N -1 3 355.394 3.023 20 0 FGADHM CCOC(=O)c1sc([C@@H](C)NC(=O)c2cc(CC)ccc2[O-])nc1C ZINC000436587339 501163944 /nfs/dbraw/zinc/16/39/44/501163944.db2.gz PJCGZLHODZJGMI-LLVKDONJSA-N -1 3 362.451 3.387 20 0 FGADHM CSc1ccccc1[C@H](C)NC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000441686297 501164942 /nfs/dbraw/zinc/16/49/42/501164942.db2.gz JBTOFWXRIMUBOY-LBPRGKRZSA-N -1 3 364.492 3.271 20 0 FGADHM O=S(=O)(Cc1ccc(Br)cc1)[N-]c1nc2ccccc2[nH]1 ZINC000446788614 501164984 /nfs/dbraw/zinc/16/49/84/501164984.db2.gz YFKMHGVACIMZPT-UHFFFAOYSA-N -1 3 366.240 3.267 20 0 FGADHM COCCN(C(=O)c1ccc(C)c(C)c1[O-])c1ccc(OC)c(OC)c1 ZINC000436592647 501165345 /nfs/dbraw/zinc/16/53/45/501165345.db2.gz XEIBDQLMYRYJFM-UHFFFAOYSA-N -1 3 359.422 3.319 20 0 FGADHM CS[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C[C@H]1N1CCCC1 ZINC000436610078 501169479 /nfs/dbraw/zinc/16/94/79/501169479.db2.gz JELGORVRKOJHCM-UKRRQHHQSA-N -1 3 374.428 3.063 20 0 FGADHM O=C(CNC(=O)c1cc(Cc2ccccc2)ccc1[O-])NC1CCCCC1 ZINC000436612697 501169848 /nfs/dbraw/zinc/16/98/48/501169848.db2.gz NIEODJHOEAUIPN-UHFFFAOYSA-N -1 3 366.461 3.162 20 0 FGADHM CC(=O)c1ccc(C(=O)N2CCO[C@H](c3ccccc3Cl)C2)cc1[O-] ZINC000436629622 501173911 /nfs/dbraw/zinc/17/39/11/501173911.db2.gz LATWENZJHYXFKB-SFHVURJKSA-N -1 3 359.809 3.462 20 0 FGADHM CCOc1cc2c(cc1CNC(=O)c1ccc([O-])c(OC)c1)O[C@H](C)C2 ZINC000436636010 501174424 /nfs/dbraw/zinc/17/44/24/501174424.db2.gz PBVZXYFPDVGRHG-GFCCVEGCSA-N -1 3 357.406 3.053 20 0 FGADHM Cc1sc2ccc(Cl)cc2c1S(=O)(=O)[N-]Cc1ccnc(C)n1 ZINC000441819106 501175489 /nfs/dbraw/zinc/17/54/89/501175489.db2.gz XPXMXFDFLOXHGS-UHFFFAOYSA-N -1 3 367.883 3.440 20 0 FGADHM CN(CCOc1ccc(Br)cc1)C(=O)c1c([O-])cccc1O ZINC000436637421 501175777 /nfs/dbraw/zinc/17/57/77/501175777.db2.gz WDMWJBQMKKODOE-UHFFFAOYSA-N -1 3 366.211 3.011 20 0 FGADHM O=C(CCc1ccc2ccccc2c1[O-])N1CCC[C@@](O)(C(F)(F)F)C1 ZINC000450084121 501175927 /nfs/dbraw/zinc/17/59/27/501175927.db2.gz HPLSDCOBCLUVBR-SFHVURJKSA-N -1 3 367.367 3.394 20 0 FGADHM O=C(NCc1cccc(Cn2cnc3ccccc32)c1)c1c([O-])cccc1O ZINC000436646325 501178006 /nfs/dbraw/zinc/17/80/06/501178006.db2.gz HLBQHKSHGCDBTP-UHFFFAOYSA-N -1 3 373.412 3.426 20 0 FGADHM CC(=O)c1ccc(C(=O)N2CCC[C@H](C(=O)c3ccc(F)cc3)C2)cc1[O-] ZINC000436647454 501178028 /nfs/dbraw/zinc/17/80/28/501178028.db2.gz KWTWZOGGRMPRBH-INIZCTEOSA-N -1 3 369.392 3.469 20 0 FGADHM Cc1ccc(CNC(=O)c2c([O-])cccc2O)c(OCC(F)(F)F)c1 ZINC000436649551 501178916 /nfs/dbraw/zinc/17/89/16/501178916.db2.gz VGMBHDYGLGVQPD-UHFFFAOYSA-N -1 3 355.312 3.277 20 0 FGADHM CCc1ccc(C(=O)N2CCC[C@](CO)(Cc3ccccc3)C2)c([O-])c1 ZINC000436651568 501179948 /nfs/dbraw/zinc/17/99/48/501179948.db2.gz GPDRXZHJTKLUSE-QFIPXVFZSA-N -1 3 353.462 3.412 20 0 FGADHM O=C(NC1(c2ccc3c(c2)OCCO3)CCCC1)c1ccc(O)cc1[O-] ZINC000436665462 501182362 /nfs/dbraw/zinc/18/23/62/501182362.db2.gz OLMWQBZARFBMKM-UHFFFAOYSA-N -1 3 355.390 3.068 20 0 FGADHM COc1ccc(C(=O)N2CCC[C@H](Oc3ccccc3OC)C2)c([O-])c1 ZINC000436672281 501185300 /nfs/dbraw/zinc/18/53/00/501185300.db2.gz BPUFFGGEJINZKH-HNNXBMFYSA-N -1 3 357.406 3.093 20 0 FGADHM CCOc1ccc(CN2CCN(C(=O)c3ccc([O-])c(CC)c3)CC2)cc1 ZINC000436685694 501188163 /nfs/dbraw/zinc/18/81/63/501188163.db2.gz MGGGXPXGXPETAD-UHFFFAOYSA-N -1 3 368.477 3.311 20 0 FGADHM C[C@H]1CCCC[C@H]1CCNC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436686267 501188765 /nfs/dbraw/zinc/18/87/65/501188765.db2.gz NMLDKDDJIYNCOU-IRXDYDNUSA-N -1 3 373.497 3.076 20 0 FGADHM COCCCn1c(=O)[n-]nc1SCc1ccc(C)cc1Br ZINC000450701195 501189092 /nfs/dbraw/zinc/18/90/92/501189092.db2.gz GHYLGMJVLZFTDO-UHFFFAOYSA-N -1 3 372.288 3.383 20 0 FGADHM Cc1coc2ccc(NC(=O)C(=O)N=c3cc(-c4ccccc4C)[n-][nH]3)cc12 ZINC000436692952 501189459 /nfs/dbraw/zinc/18/94/59/501189459.db2.gz PIGPOUPSHJSJRF-UHFFFAOYSA-N -1 3 374.400 3.439 20 0 FGADHM Cc1ccc(-c2nnc(NC(=O)[C@@H](C)[C@@H]3OCCc4sccc43)[n-]2)o1 ZINC000450142821 501192294 /nfs/dbraw/zinc/19/22/94/501192294.db2.gz WFDFGNXESMEGSC-HZMBPMFUSA-N -1 3 358.423 3.323 20 0 FGADHM Cc1ccc(-c2n[n-]c(NC(=O)[C@@H](C)[C@@H]3OCCc4sccc43)n2)o1 ZINC000450142821 501192297 /nfs/dbraw/zinc/19/22/97/501192297.db2.gz WFDFGNXESMEGSC-HZMBPMFUSA-N -1 3 358.423 3.323 20 0 FGADHM Cc1ccc(-c2nc(NC(=O)[C@@H](C)[C@@H]3OCCc4sccc43)n[n-]2)o1 ZINC000450142821 501192299 /nfs/dbraw/zinc/19/22/99/501192299.db2.gz WFDFGNXESMEGSC-HZMBPMFUSA-N -1 3 358.423 3.323 20 0 FGADHM CC[C@H](CNC(=O)CCNC(=O)c1ccc(C)cc1[O-])c1ccccc1 ZINC000436705708 501192563 /nfs/dbraw/zinc/19/25/63/501192563.db2.gz KPWYUQARENBSEB-MRXNPFEDSA-N -1 3 354.450 3.131 20 0 FGADHM CC(C)[C@@H]1CCC[C@@H](NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)C1 ZINC000436708917 501193142 /nfs/dbraw/zinc/19/31/42/501193142.db2.gz ZFMUYELMFPHWTL-QZTJIDSGSA-N -1 3 373.497 3.074 20 0 FGADHM CCN(Cc1cccc(F)c1)C(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC000436707285 501193180 /nfs/dbraw/zinc/19/31/80/501193180.db2.gz OYAIMZQPYAASTF-UHFFFAOYSA-N -1 3 358.413 3.008 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N2CCC[C@H]2Cc2ccccc2)c([O-])c1 ZINC000436710433 501193971 /nfs/dbraw/zinc/19/39/71/501193971.db2.gz UFFNELSHVRLSGM-SFHVURJKSA-N -1 3 366.461 3.054 20 0 FGADHM COc1ccc(C(=O)NCc2ccc(OC)cc2C(F)(F)F)c([O-])c1 ZINC000436711711 501194071 /nfs/dbraw/zinc/19/40/71/501194071.db2.gz KINOMSHGMAREHO-UHFFFAOYSA-N -1 3 355.312 3.358 20 0 FGADHM COC(=O)c1c(CC(C)C)csc1[N-]C(=O)C(=O)N1[C@H](C)CC[C@@H]1C ZINC000442064534 501194824 /nfs/dbraw/zinc/19/48/24/501194824.db2.gz TWLGHSYHIGPMFM-TXEJJXNPSA-N -1 3 366.483 3.071 20 0 FGADHM COc1cccc(C2(NC(=O)c3ccc(C)cc3[O-])CCOCC2)c1F ZINC000436716631 501195349 /nfs/dbraw/zinc/19/53/49/501195349.db2.gz UKDLIRAGPIOPIJ-UHFFFAOYSA-N -1 3 359.397 3.284 20 0 FGADHM Cc1cccc2c1[C@@H](C)C[C@H]2CC(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000436721881 501196878 /nfs/dbraw/zinc/19/68/78/501196878.db2.gz LLFFRBIHSHAVMJ-RDJZCZTQSA-N -1 3 366.461 3.228 20 0 FGADHM CCc1cc(=O)[n-]c(CSCC(=O)NCCc2ccc(C(C)C)cc2)n1 ZINC000447044872 501197134 /nfs/dbraw/zinc/19/71/34/501197134.db2.gz PYUPVCWFBPBTJN-UHFFFAOYSA-N -1 3 373.522 3.460 20 0 FGADHM CC[C@H](C)c1nc([C@@H](C)NC(=O)c2cc(Br)ccc2[O-])n[nH]1 ZINC000436728914 501199060 /nfs/dbraw/zinc/19/90/60/501199060.db2.gz DIXIILRWODCBLP-DTWKUNHWSA-N -1 3 367.247 3.277 20 0 FGADHM Cc1ccc([O-])c(C(=O)N[C@H](C)c2cc(F)ccc2N2CCN(C)CC2)c1 ZINC000436731286 501199379 /nfs/dbraw/zinc/19/93/79/501199379.db2.gz CFFBERYGPOYMMW-OAHLLOKOSA-N -1 3 371.456 3.083 20 0 FGADHM C[C@@H]1CN(C(=O)C(C)(C)C)C[C@H](C)N1C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436740496 501201709 /nfs/dbraw/zinc/20/17/09/501201709.db2.gz RBOAPDORNBSMFU-GASCZTMLSA-N -1 3 372.509 3.379 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C)CCOCc2ccccc2)c1 ZINC000436743687 501202273 /nfs/dbraw/zinc/20/22/73/501202273.db2.gz ZFOHSRZLWAQSGB-AWEZNQCLSA-N -1 3 356.422 3.076 20 0 FGADHM CCC[C@H]1CN(C(=O)c2c([O-])cccc2O)CCN1Cc1ccccc1 ZINC000436743142 501202554 /nfs/dbraw/zinc/20/25/54/501202554.db2.gz WYFIDMDGOOPVSY-KRWDZBQOSA-N -1 3 354.450 3.225 20 0 FGADHM COc1ccccc1[C@H](CNC(=O)c1ccc(F)cc1[O-])N1CCCC1 ZINC000436746876 501203297 /nfs/dbraw/zinc/20/32/97/501203297.db2.gz HZIVTRQIRCBSBJ-KRWDZBQOSA-N -1 3 358.413 3.107 20 0 FGADHM O=C(Nc1ccc(-n2cncn2)nc1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436762949 501206780 /nfs/dbraw/zinc/20/67/80/501206780.db2.gz UURSSBWVMVEZHC-UHFFFAOYSA-N -1 3 371.400 3.211 20 0 FGADHM CC(C)c1ccc(CNC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])cc1 ZINC000436761399 501206992 /nfs/dbraw/zinc/20/69/92/501206992.db2.gz JRTGUPFYIGEJPD-LJQANCHMSA-N -1 3 366.461 3.437 20 0 FGADHM Cn1nncc1C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000436774356 501209461 /nfs/dbraw/zinc/20/94/61/501209461.db2.gz WDFUHKCYZZCFRQ-UHFFFAOYSA-N -1 3 351.391 3.050 20 0 FGADHM COc1cc(-c2noc([C@H]3CCN(c4ccc(F)cc4)C3=O)n2)ccc1[O-] ZINC000436783175 501211032 /nfs/dbraw/zinc/21/10/32/501211032.db2.gz FUYSZOPJYLWNSX-CQSZACIVSA-N -1 3 369.352 3.110 20 0 FGADHM C[C@@H](CCc1cccc(F)c1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436787687 501211744 /nfs/dbraw/zinc/21/17/44/501211744.db2.gz PYABKMXBHLXWHC-INIZCTEOSA-N -1 3 356.441 3.310 20 0 FGADHM CCN(CCNC(=O)c1ccc(C(F)(F)F)cc1[O-])CCC(F)(F)F ZINC000436796023 501212780 /nfs/dbraw/zinc/21/27/80/501212780.db2.gz HSXVPSWHTDGCGO-UHFFFAOYSA-N -1 3 372.309 3.415 20 0 FGADHM CCOC(=O)c1cc(NC(=O)c2cn[n-]c2-c2ccsc2)ccc1O ZINC000436800052 501213126 /nfs/dbraw/zinc/21/31/26/501213126.db2.gz SOGJJASOWVOBJK-UHFFFAOYSA-N -1 3 357.391 3.273 20 0 FGADHM CCOC(=O)c1cc(NC(=O)c2c[n-]nc2-c2ccsc2)ccc1O ZINC000436800052 501213129 /nfs/dbraw/zinc/21/31/29/501213129.db2.gz SOGJJASOWVOBJK-UHFFFAOYSA-N -1 3 357.391 3.273 20 0 FGADHM CC1(C)CN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])CC(C)(C)C1 ZINC000436805010 501213998 /nfs/dbraw/zinc/21/39/98/501213998.db2.gz CMYPUGORZQHCLF-MRXNPFEDSA-N -1 3 358.482 3.282 20 0 FGADHM Cc1cccc(C(=O)Nc2ccnn2Cc2cnn(-c3ccccc3)c2)c1[O-] ZINC000436813032 501215403 /nfs/dbraw/zinc/21/54/03/501215403.db2.gz GONBVKPRIASLHB-UHFFFAOYSA-N -1 3 373.416 3.383 20 0 FGADHM CCOC(=O)[C@H](Cc1ccccc1)N(C)C(=O)c1ccc(CC)cc1[O-] ZINC000436826116 501217319 /nfs/dbraw/zinc/21/73/19/501217319.db2.gz NXTJHQMBSFOUGJ-SFHVURJKSA-N -1 3 355.434 3.201 20 0 FGADHM COCC[C@H]1COCCN1C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436834620 501219126 /nfs/dbraw/zinc/21/91/26/501219126.db2.gz PYJRSNOTGHCYER-HNNXBMFYSA-N -1 3 357.406 3.062 20 0 FGADHM CCOc1ccc(CCNC(=O)c2ccc(C(C)=O)c([O-])c2)cc1OCC ZINC000436850412 501221361 /nfs/dbraw/zinc/22/13/61/501221361.db2.gz HEHLEYGJSAYXBF-UHFFFAOYSA-N -1 3 371.433 3.365 20 0 FGADHM COC(=O)C[C@H](NC(=O)c1ccc(O)cc1[O-])c1ccc2ccccc2c1 ZINC000436857738 501222281 /nfs/dbraw/zinc/22/22/81/501222281.db2.gz WYBXKWMFNAGMGK-SFHVURJKSA-N -1 3 365.385 3.285 20 0 FGADHM COCCOc1ccc(NC(=O)c2cc(OC)ccc2[O-])cc1Cl ZINC000436869281 501224661 /nfs/dbraw/zinc/22/46/61/501224661.db2.gz KDZWNCWOLOOLEI-UHFFFAOYSA-N -1 3 351.786 3.332 20 0 FGADHM COc1ccc(C(=O)NC[C@@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)c([O-])c1 ZINC000436876192 501225544 /nfs/dbraw/zinc/22/55/44/501225544.db2.gz GXELHLXROIJWFP-FPOVZHCZSA-N -1 3 373.424 3.044 20 0 FGADHM CS(=O)(=O)c1ccc(-c2noc(-c3cc4c(cc3[O-])CCCC4)n2)cc1 ZINC000436885602 501226966 /nfs/dbraw/zinc/22/69/66/501226966.db2.gz HNOLIGAUTQYXTA-UHFFFAOYSA-N -1 3 370.430 3.392 20 0 FGADHM COc1ccc(C(=O)CCc2nc(-c3ccc([O-])cc3)no2)cc1OC ZINC000436895405 501228991 /nfs/dbraw/zinc/22/89/91/501228991.db2.gz UVWLXFTUZDSIJX-UHFFFAOYSA-N -1 3 354.362 3.275 20 0 FGADHM O=C(N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)c1c([O-])cccc1O ZINC000436897888 501229569 /nfs/dbraw/zinc/22/95/69/501229569.db2.gz DADMZEXPJLQLJB-JTQLQIEISA-N -1 3 367.232 3.413 20 0 FGADHM Cc1cc(C(=O)NCc2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)ccc1[O-] ZINC000436904369 501230195 /nfs/dbraw/zinc/23/01/95/501230195.db2.gz PPRHMDLVMZTGRL-IAGOWNOFSA-N -1 3 368.477 3.240 20 0 FGADHM Cc1ccc2sc(C(=O)NCCNC(=O)c3ccc([O-])cc3)cc2c1 ZINC000436911080 501231538 /nfs/dbraw/zinc/23/15/38/501231538.db2.gz SAFMRXVVYMEFAK-UHFFFAOYSA-N -1 3 354.431 3.075 20 0 FGADHM COc1cccc(C(=O)N[C@@H]2CCCN(c3ccccc3Cl)C2)c1[O-] ZINC000436913828 501232224 /nfs/dbraw/zinc/23/22/24/501232224.db2.gz HGAKQRXCWJYEPI-CYBMUJFWSA-N -1 3 360.841 3.453 20 0 FGADHM Cc1cc(C)cc(NC(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)c1 ZINC000436919038 501232402 /nfs/dbraw/zinc/23/24/02/501232402.db2.gz LWKOPHXATRPXJT-UHFFFAOYSA-N -1 3 367.449 3.435 20 0 FGADHM O=C(NCc1nnc(C2CC2)o1)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436927003 501233945 /nfs/dbraw/zinc/23/39/45/501233945.db2.gz PZKVIHCVUVAXOL-UHFFFAOYSA-N -1 3 363.417 3.368 20 0 FGADHM CO[C@H](C)CS(=O)(=O)[N-]c1ccc(N2CCCCC2)c2ncccc12 ZINC000451018647 501239365 /nfs/dbraw/zinc/23/93/65/501239365.db2.gz RZMXRXWVQUFXKF-CQSZACIVSA-N -1 3 363.483 3.002 20 0 FGADHM Cc1csc(S(=O)(=O)[N-]Cc2cccnc2OC2CCCC2)c1 ZINC000451050602 501241907 /nfs/dbraw/zinc/24/19/07/501241907.db2.gz RNYURHUBAUZEFH-UHFFFAOYSA-N -1 3 352.481 3.251 20 0 FGADHM CC[C@@H]([N-]S(=O)(=O)c1cnn(-c2ccc(Cl)cc2)c1C)C(F)F ZINC000451082451 501244078 /nfs/dbraw/zinc/24/40/78/501244078.db2.gz NYXNRNYYKAPVKB-GFCCVEGCSA-N -1 3 363.817 3.156 20 0 FGADHM Cc1csc(S(=O)(=O)[N-][C@@H](c2ccc(F)cc2)[C@@H]2CCCO2)c1 ZINC000451095169 501245158 /nfs/dbraw/zinc/24/51/58/501245158.db2.gz HZYJQYRGXNBTNP-HOCLYGCPSA-N -1 3 355.456 3.394 20 0 FGADHM CCOC(=O)C[C@H]([N-]S(=O)(=O)c1sccc1Cl)c1ccccc1 ZINC000451114646 501246700 /nfs/dbraw/zinc/24/67/00/501246700.db2.gz LUNQTAYLOKKVPJ-ZDUSSCGKSA-N -1 3 373.883 3.374 20 0 FGADHM Cc1noc(C)c1C[C@@H](C)[N-]S(=O)(=O)c1ccc2ccccc2c1F ZINC000451214651 501252657 /nfs/dbraw/zinc/25/26/57/501252657.db2.gz DJGWWEHRYYCOFP-LLVKDONJSA-N -1 3 362.426 3.493 20 0 FGADHM CCC[C@@H](CC(C)C)C(=O)N1CCC(c2n[n-]c(C(=O)OCC)n2)CC1 ZINC000451215231 501252951 /nfs/dbraw/zinc/25/29/51/501252951.db2.gz GAZVLOLMXLLOAH-HNNXBMFYSA-N -1 3 364.490 3.150 20 0 FGADHM CCC[C@@H](CC(C)C)C(=O)N1CCC(c2nnc(C(=O)OCC)[n-]2)CC1 ZINC000451215231 501252952 /nfs/dbraw/zinc/25/29/52/501252952.db2.gz GAZVLOLMXLLOAH-HNNXBMFYSA-N -1 3 364.490 3.150 20 0 FGADHM CCc1ccc([C@H](COC)[N-]S(=O)(=O)C[C@@H]2CCCCC2(F)F)o1 ZINC000451240986 501254327 /nfs/dbraw/zinc/25/43/27/501254327.db2.gz JINHBFZXUKLWOZ-JSGCOSHPSA-N -1 3 365.442 3.274 20 0 FGADHM COc1ccc(C[C@@H](C)C[N-]S(=O)(=O)c2cc(C)cs2)cc1OC ZINC000451354200 501273265 /nfs/dbraw/zinc/27/32/65/501273265.db2.gz MKNAFFGRSYNDRH-GFCCVEGCSA-N -1 3 369.508 3.231 20 0 FGADHM COc1ccc([C@H](OC)[C@H](C)[N-]S(=O)(=O)c2cc(C)cs2)cc1 ZINC000451366885 501276167 /nfs/dbraw/zinc/27/61/67/501276167.db2.gz HTDQWJZRXLWYDV-BLLLJJGKSA-N -1 3 355.481 3.120 20 0 FGADHM COc1ccc([C@@H](OC)[C@H](C)[N-]S(=O)(=O)c2cc(C)cs2)cc1 ZINC000451366886 501276559 /nfs/dbraw/zinc/27/65/59/501276559.db2.gz HTDQWJZRXLWYDV-LRDDRELGSA-N -1 3 355.481 3.120 20 0 FGADHM CCOc1nc2cc(C(=O)N3CCC[C@@H]3[C@@H]3C[C@@H](C)CC[C@@H]3O)ccc2[n-]1 ZINC000451430130 501292150 /nfs/dbraw/zinc/29/21/50/501292150.db2.gz MOSPRMJPSKOGCB-JOQQVMPUSA-N -1 3 371.481 3.363 20 0 FGADHM CCOc1nc2ccc(C(=O)N3CCC[C@@H]3[C@@H]3C[C@@H](C)CC[C@@H]3O)cc2[n-]1 ZINC000451430130 501292152 /nfs/dbraw/zinc/29/21/52/501292152.db2.gz MOSPRMJPSKOGCB-JOQQVMPUSA-N -1 3 371.481 3.363 20 0 FGADHM COCCN(C(=O)CCc1ccc2ccccc2c1[O-])[C@H]1CCO[C@H]1C ZINC000451471258 501300508 /nfs/dbraw/zinc/30/05/08/501300508.db2.gz OWUMXUPCDKKVMI-KXBFYZLASA-N -1 3 357.450 3.130 20 0 FGADHM CCOc1ccncc1S(=O)(=O)[N-][C@@H](C)c1ccccc1SC ZINC000451514129 501310457 /nfs/dbraw/zinc/31/04/57/501310457.db2.gz UVYNBOZCFOWTGK-LBPRGKRZSA-N -1 3 352.481 3.242 20 0 FGADHM O=C(Cc1ccc([O-])c(F)c1)N1CC[C@@](F)(c2cc(F)cc(F)c2)C1 ZINC000451557171 501323400 /nfs/dbraw/zinc/32/34/00/501323400.db2.gz BJLWESZRMJMIIK-SFHVURJKSA-N -1 3 353.315 3.449 20 0 FGADHM O=S(=O)([N-]CCCC1CCOCC1)c1ccc(Cl)cc1Cl ZINC000451613449 501336906 /nfs/dbraw/zinc/33/69/06/501336906.db2.gz NGUYBNOZTNYFOE-UHFFFAOYSA-N -1 3 352.283 3.479 20 0 FGADHM CO[C@@H](C[N-]S(=O)(=O)c1ccc(F)cc1Cl)Cc1ccccc1 ZINC000451660677 501346417 /nfs/dbraw/zinc/34/64/17/501346417.db2.gz GVHCEDKVINYYCB-CQSZACIVSA-N -1 3 357.834 3.015 20 0 FGADHM Cc1csc(S(=O)(=O)[N-]Cc2nc(C)c(Br)s2)c1 ZINC000451667805 501347296 /nfs/dbraw/zinc/34/72/96/501347296.db2.gz YZBYMVPSSVWCKP-UHFFFAOYSA-N -1 3 367.315 3.062 20 0 FGADHM CC1(C)OCC[C@H]1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000451694725 501352477 /nfs/dbraw/zinc/35/24/77/501352477.db2.gz LSDQFGOQNKUXCH-LLVKDONJSA-N -1 3 357.781 3.205 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1)[C@@H](O)C(F)F ZINC000451715942 501358853 /nfs/dbraw/zinc/35/88/53/501358853.db2.gz RAECYJKFQOACNS-JOYOIKCWSA-N -1 3 369.842 3.238 20 0 FGADHM CCOC(=O)C(C)(C)c1csc(NC(=O)Cc2ccc([O-])c(F)c2)n1 ZINC000451786994 501372204 /nfs/dbraw/zinc/37/22/04/501372204.db2.gz XPMISGOAQYPQJQ-UHFFFAOYSA-N -1 3 366.414 3.010 20 0 FGADHM CO[C@H]([C@H](C)[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl)C1CC1 ZINC000451982006 501413090 /nfs/dbraw/zinc/41/30/90/501413090.db2.gz FNAOUNIBLLQAAC-TVQRCGJNSA-N -1 3 352.283 3.394 20 0 FGADHM C[C@@H](CN(C)C(=O)CCCc1ccc([O-])c(F)c1)C(=O)OC(C)(C)C ZINC000458394699 501435259 /nfs/dbraw/zinc/43/52/59/501435259.db2.gz PONOWUUTQXQBON-ZDUSSCGKSA-N -1 3 353.434 3.290 20 0 FGADHM COc1ccc2c(c1)CN(C(=O)c1cc([O-])ccc1C(F)(F)F)CCO2 ZINC000456192270 501472128 /nfs/dbraw/zinc/47/21/28/501472128.db2.gz RVDRYAZFSRBGJN-UHFFFAOYSA-N -1 3 367.323 3.454 20 0 FGADHM C[C@H]1CN(Cc2ccccc2)CCN(C(=O)c2cc(F)c([O-])c(F)c2)C1 ZINC000456328997 501499995 /nfs/dbraw/zinc/49/99/95/501499995.db2.gz IJFYJYFVYMYVTC-AWEZNQCLSA-N -1 3 360.404 3.265 20 0 FGADHM COc1ccc([O-])c(C(=O)N[C@H](CCO)c2cccc(C(F)(F)F)c2)c1 ZINC000452532823 501519503 /nfs/dbraw/zinc/51/95/03/501519503.db2.gz QCTWWOMCNNAQHG-OAHLLOKOSA-N -1 3 369.339 3.273 20 0 FGADHM CCSCc1ccc(NC(=O)c2cc(S(=O)(=O)[N-]C)oc2C)cc1 ZINC000456495284 501536821 /nfs/dbraw/zinc/53/68/21/501536821.db2.gz OIKWBUGFZAERAC-UHFFFAOYSA-N -1 3 368.480 3.002 20 0 FGADHM C[C@H](O)CN(CC(F)F)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000456535928 501544007 /nfs/dbraw/zinc/54/40/07/501544007.db2.gz BFKXLLNTKFLPIY-AWEZNQCLSA-N -1 3 363.404 3.266 20 0 FGADHM C[C@H]1CN(CC(F)(F)F)CCN(C(=O)c2cc([O-])ccc2Cl)C1 ZINC000456629015 501561751 /nfs/dbraw/zinc/56/17/51/501561751.db2.gz AUGXYAASXFALJG-JTQLQIEISA-N -1 3 350.768 3.002 20 0 FGADHM C[C@@H](NC(=O)c1cc([O-])ccc1Cl)C(=O)N1c2ccccc2C[C@@H]1C ZINC000456646353 501565950 /nfs/dbraw/zinc/56/59/50/501565950.db2.gz OMXFVBNGJRBOAN-NWDGAFQWSA-N -1 3 358.825 3.142 20 0 FGADHM CCC[C@@H]1CCCC[C@@H]1CNC(=O)c1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000456863659 501612099 /nfs/dbraw/zinc/61/20/99/501612099.db2.gz RMNIXPAVMNOKID-NVAPDCRFSA-N -1 3 371.481 3.078 20 0 FGADHM [O-]c1cccc(CN2CCN(c3ccc(O)cc3)CC2)c1Br ZINC000459285913 501625361 /nfs/dbraw/zinc/62/53/61/501625361.db2.gz CITZXGRXFOSGIJ-UHFFFAOYSA-N -1 3 363.255 3.183 20 0 FGADHM CCS(=O)(=O)Cc1ccc(NC(=O)c2cc3c(cc2[O-])CCCC3)cc1 ZINC000456983153 501630071 /nfs/dbraw/zinc/63/00/71/501630071.db2.gz BSXGDPNUTTTZQE-UHFFFAOYSA-N -1 3 373.474 3.458 20 0 FGADHM Cc1nn(C)c(C)c1C[C@@H](C)NCc1cccc([O-])c1Br ZINC000459410202 501648802 /nfs/dbraw/zinc/64/88/02/501648802.db2.gz CAUKYCHULWTQPQ-SNVBAGLBSA-N -1 3 352.276 3.226 20 0 FGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@H](C)CC(C)(C)C ZINC000457205705 501665166 /nfs/dbraw/zinc/66/51/66/501665166.db2.gz CBWKGFOGTDAEGT-CYBMUJFWSA-N -1 3 356.470 3.014 20 0 FGADHM CCOc1cc(CN(CC(=O)OC)[C@H](C)CC)cc(Br)c1[O-] ZINC000459517897 501668364 /nfs/dbraw/zinc/66/83/64/501668364.db2.gz AYXWVKMFKFERQA-LLVKDONJSA-N -1 3 374.275 3.327 20 0 FGADHM [O-]c1cccc(CN2CCOc3cc(O)ccc3C2)c1Br ZINC000459551878 501675304 /nfs/dbraw/zinc/67/53/04/501675304.db2.gz XOLFNMTTZQOKEX-UHFFFAOYSA-N -1 3 350.212 3.255 20 0 FGADHM CCC1CN(C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000457283641 501675824 /nfs/dbraw/zinc/67/58/24/501675824.db2.gz VCYNNIIUFLCOFB-LJQANCHMSA-N -1 3 352.434 3.122 20 0 FGADHM [O-]c1cccc(CN2CC[C@@](CO)(c3ccccc3)C2)c1Br ZINC000459558050 501676385 /nfs/dbraw/zinc/67/63/85/501676385.db2.gz MZFNMHSMIBTAEV-GOSISDBHSA-N -1 3 362.267 3.291 20 0 FGADHM CCOc1cc(CN(CCO)c2ccccc2OC)cc(Cl)c1[O-] ZINC000459570444 501678417 /nfs/dbraw/zinc/67/84/17/501678417.db2.gz PEGFCOGGIIYYCF-UHFFFAOYSA-N -1 3 351.830 3.452 20 0 FGADHM CCOc1cc(CN2CC[C@@H]([C@@H](O)C(F)(F)F)C2)cc(Cl)c1[O-] ZINC000459575472 501679802 /nfs/dbraw/zinc/67/98/02/501679802.db2.gz UCPHHVFOZSADII-QMTHXVAHSA-N -1 3 353.768 3.189 20 0 FGADHM O=C(Cc1ccc(Br)cc1[O-])N(Cc1ccncc1)C1CC1 ZINC000477602774 501734376 /nfs/dbraw/zinc/73/43/76/501734376.db2.gz ATVKPMUIQVIHII-UHFFFAOYSA-N -1 3 361.239 3.283 20 0 FGADHM CC(C)[C@H]1CCC[C@@H](NC(=O)[C@H](C)[N-]S(=O)(=O)c2cccs2)CC1 ZINC000470593876 501738868 /nfs/dbraw/zinc/73/88/68/501738868.db2.gz BMLAWXVFIANXFN-SOUVJXGZSA-N -1 3 372.556 3.136 20 0 FGADHM CCOc1cc(Br)c(F)cc1[N-]C(=O)c1cc(OC)no1 ZINC000485159895 501743104 /nfs/dbraw/zinc/74/31/04/501743104.db2.gz GIHFHOBSAREHQB-UHFFFAOYSA-N -1 3 359.151 3.236 20 0 FGADHM C[C@H](c1ccccc1)[C@H](C)[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC000474217102 501747708 /nfs/dbraw/zinc/74/77/08/501747708.db2.gz QJTMYPCUERVBQC-RYUDHWBXSA-N -1 3 369.284 3.315 20 0 FGADHM Cc1cccc(CC2(O)CCN(C(=O)Cc3ccc([O-])cc3Cl)CC2)c1 ZINC000477670738 501754760 /nfs/dbraw/zinc/75/47/60/501754760.db2.gz YBPXUYTYLOGDIT-UHFFFAOYSA-N -1 3 373.880 3.493 20 0 FGADHM NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c(F)c1 ZINC000467309517 501768102 /nfs/dbraw/zinc/76/81/02/501768102.db2.gz QIFRIWRTAMDXAE-UHFFFAOYSA-N -1 3 363.197 3.032 20 0 FGADHM CN(C)S(=O)(=O)N=c1[n-]cc(Cc2cccc(Cl)c2Cl)s1 ZINC000481440486 501776649 /nfs/dbraw/zinc/77/66/49/501776649.db2.gz UWIKYTLHAPOZRT-UHFFFAOYSA-N -1 3 366.295 3.259 20 0 FGADHM Cc1ccc(CNc2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)nc1 ZINC000485282454 501776974 /nfs/dbraw/zinc/77/69/74/501776974.db2.gz DMOPIWJUHQWXLD-UHFFFAOYSA-N -1 3 351.447 3.218 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1ncoc1-c1ccccc1Cl ZINC000607818708 506273204 /nfs/dbraw/zinc/27/32/04/506273204.db2.gz LTLVUPRHOISGIM-UHFFFAOYSA-N -1 3 366.768 3.427 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1ncoc1-c1ccccc1Cl ZINC000607818708 506273211 /nfs/dbraw/zinc/27/32/11/506273211.db2.gz LTLVUPRHOISGIM-UHFFFAOYSA-N -1 3 366.768 3.427 20 0 FGADHM CCOC[C@H]([N-]S(=O)(=O)c1csc(-c2ccccc2)n1)C(C)C ZINC000474374168 501810695 /nfs/dbraw/zinc/81/06/95/501810695.db2.gz IXULBYGDSYYFDS-AWEZNQCLSA-N -1 3 354.497 3.150 20 0 FGADHM COCc1nc(S[C@H](C(=O)OC)c2ccc(Cl)cc2Cl)n[n-]1 ZINC000474409527 501826397 /nfs/dbraw/zinc/82/63/97/501826397.db2.gz MEKIMORKWZRNEP-NSHDSACASA-N -1 3 362.238 3.264 20 0 FGADHM C[N-]S(=O)(=O)c1cc(-c2nc(-c3cccc(Cl)c3F)no2)c(C)o1 ZINC000460525135 501849811 /nfs/dbraw/zinc/84/98/11/501849811.db2.gz NTXAJNBGTIFKPQ-UHFFFAOYSA-N -1 3 371.777 3.006 20 0 FGADHM CC[C@H](C)C[C@@H](C)NC(=O)[C@@H]([N-]S(=O)(=O)c1ccccc1F)C(C)C ZINC000463915582 501852590 /nfs/dbraw/zinc/85/25/90/501852590.db2.gz LQIFMFJMBVZKRX-VBQJREDUSA-N -1 3 372.506 3.070 20 0 FGADHM CCc1cc(C(=O)N(C)[C@H](C)c2ccc(-n3cncn3)cc2)ccc1[O-] ZINC000485560553 501861010 /nfs/dbraw/zinc/86/10/10/501861010.db2.gz QDUQXOMVYWJQBV-CQSZACIVSA-N -1 3 350.422 3.369 20 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CCc1cc(C(=O)NCCCc2cc(N)n(-c3ccccc3)n2)ccc1[O-] ZINC000485764691 501928666 /nfs/dbraw/zinc/92/86/66/501928666.db2.gz BSQMPLTYCSRWNI-UHFFFAOYSA-N -1 3 364.449 3.085 20 0 FGADHM C[C@@H](CC(F)(F)F)NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000464389236 501974141 /nfs/dbraw/zinc/97/41/41/501974141.db2.gz UESPAGGDDBUVLR-ZETCQYMHSA-N -1 3 355.154 3.295 20 0 FGADHM CCCOc1cccc(CC[N-]S(=O)(=O)c2cnc(CC)s2)c1 ZINC000460929568 501960593 /nfs/dbraw/zinc/96/05/93/501960593.db2.gz CKFCCOJISWICBV-UHFFFAOYSA-N -1 3 354.497 3.015 20 0 FGADHM CCc1ncc(S(=O)(=O)[N-][C@@H](c2cccc(C)c2)c2ccccn2)s1 ZINC000460937414 501962605 /nfs/dbraw/zinc/96/26/05/501962605.db2.gz UKPPQODHVQAVTL-SFHVURJKSA-N -1 3 373.503 3.477 20 0 FGADHM CCc1ncc(S(=O)(=O)[N-]Cc2ccc3cc(OC)ccc3c2)s1 ZINC000460945964 501966357 /nfs/dbraw/zinc/96/63/57/501966357.db2.gz XFLDVWDTADHFQP-UHFFFAOYSA-N -1 3 362.476 3.346 20 0 FGADHM Cc1ccc(NC(=O)NCc2ncccc2[O-])c(OCC(F)(F)F)c1 ZINC000471250012 501967701 /nfs/dbraw/zinc/96/77/01/501967701.db2.gz 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ZINC000461031798 501994140 /nfs/dbraw/zinc/99/41/40/501994140.db2.gz XXYYTWIWQVUPET-UHFFFAOYSA-N -1 3 361.398 3.239 20 0 FGADHM NC(=O)Nc1cc(NC(=O)c2cc([O-])ccc2C(F)(F)F)ccc1F ZINC000478480330 501996710 /nfs/dbraw/zinc/99/67/10/501996710.db2.gz CXLDEDIYRSVIKU-UHFFFAOYSA-N -1 3 357.263 3.293 20 0 FGADHM CC[C@@H]1C[C@@H](C)CN1C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482189153 502002358 /nfs/dbraw/zinc/00/23/58/502002358.db2.gz VHSPWJASJXRXRP-ZYHUDNBSSA-N -1 3 351.248 3.171 20 0 FGADHM O=C(CNC(=O)c1cccc([O-])c1)N[C@@H]1CCCC[C@H]1Cc1ccccc1 ZINC000471391319 502009154 /nfs/dbraw/zinc/00/91/54/502009154.db2.gz QLUNSRJUSCZCLK-FXAWDEMLSA-N -1 3 366.461 3.040 20 0 FGADHM C[C@@H]1C[C@H]1c1ccc(CN(C(=O)CNC(=O)c2cccc([O-])c2)C2CC2)o1 ZINC000471407427 502015824 /nfs/dbraw/zinc/01/58/24/502015824.db2.gz QAYXJDXJIBRUFB-FZKQIMNGSA-N -1 3 368.433 3.030 20 0 FGADHM CCc1cc(=O)[n-]c(CN(CCCOc2ccccc2)C2CCOCC2)n1 ZINC000464576566 502032696 /nfs/dbraw/zinc/03/26/96/502032696.db2.gz QCGCLTRVEOPBQL-UHFFFAOYSA-N -1 3 371.481 3.195 20 0 FGADHM CCC[C@H](CC)NC(=O)c1sccc1S(=O)(=O)[N-]Cc1ccco1 ZINC000486061825 502033804 /nfs/dbraw/zinc/03/38/04/502033804.db2.gz PCBZRTCKMRXHNL-LBPRGKRZSA-N -1 3 370.496 3.128 20 0 FGADHM O=c1cc(CN2CCc3c(Br)ccc(Cl)c3C2)occ1[O-] ZINC000464589749 502038902 /nfs/dbraw/zinc/03/89/02/502038902.db2.gz WJYRIVVFTPQYPK-UHFFFAOYSA-N -1 3 370.630 3.320 20 0 FGADHM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OC)c1c(C)noc1C ZINC000486088403 502043434 /nfs/dbraw/zinc/04/34/34/502043434.db2.gz IGOLLOASNCYCLV-GFCCVEGCSA-N -1 3 358.847 3.383 20 0 FGADHM Cn1[n-]c(-c2ccccc2Cl)nc1=NC(=O)c1ccc2ncsc2c1 ZINC000461234880 502047085 /nfs/dbraw/zinc/04/70/85/502047085.db2.gz DSDIMDWWUQJOJP-UHFFFAOYSA-N -1 3 369.837 3.419 20 0 FGADHM CN(C)[C@H](CNC(=O)CCCc1ccc([O-])c(F)c1)c1ccsc1 ZINC000468402423 502047388 /nfs/dbraw/zinc/04/73/88/502047388.db2.gz PMEIERFAZAJMCY-MRXNPFEDSA-N -1 3 350.459 3.335 20 0 FGADHM Cn1[n-]c(-c2ccccc2Cl)nc1=NC(=O)[C@@H]1CCCC(F)(F)C1 ZINC000461241214 502049159 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COc1ccc(Cl)cc1S(=O)(=O)[N-]Cc1ccc2ccccc2n1 ZINC000486257748 502101456 /nfs/dbraw/zinc/10/14/56/502101456.db2.gz UZZSKGSMEVQVDY-UHFFFAOYSA-N -1 3 362.838 3.375 20 0 FGADHM CCOC(=O)c1nnsc1[N-]C(=O)[C@@H](CC)Oc1ccccc1Cl ZINC000482552409 502108501 /nfs/dbraw/zinc/10/85/01/502108501.db2.gz HSIPXNDTEFEJBE-SNVBAGLBSA-N -1 3 369.830 3.164 20 0 FGADHM C[C@@H]1[C@@H](C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)C1(F)F ZINC000461449391 502119334 /nfs/dbraw/zinc/11/93/34/502119334.db2.gz XPZIOKAKGQZJAB-OTYXRUKQSA-N -1 3 372.799 3.124 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)C1(CCOCc2ccccc2)CC1 ZINC000471765971 502130622 /nfs/dbraw/zinc/13/06/22/502130622.db2.gz DPWCABLDMQTBAP-UHFFFAOYSA-N -1 3 363.421 3.192 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)C1(CCOCc2ccccc2)CC1 ZINC000471765971 502130625 /nfs/dbraw/zinc/13/06/25/502130625.db2.gz DPWCABLDMQTBAP-UHFFFAOYSA-N -1 3 363.421 3.192 20 0 FGADHM O=C(NCc1ccnc(Oc2ccc(F)cc2)c1)NCc1ncccc1[O-] ZINC000471768991 502132351 /nfs/dbraw/zinc/13/23/51/502132351.db2.gz LYJWEFGJJOQGIU-UHFFFAOYSA-N -1 3 368.368 3.113 20 0 FGADHM CN(C)C(=O)c1ccc(NC(=O)c2c[n-]nc2-c2ccncc2)cc1Cl ZINC000471795192 502138864 /nfs/dbraw/zinc/13/88/64/502138864.db2.gz YDAIBPLFLBMFDW-UHFFFAOYSA-N -1 3 369.812 3.079 20 0 FGADHM CN(C)C(=O)c1ccc(NC(=O)c2cn[n-]c2-c2ccncc2)cc1Cl ZINC000471795192 502138869 /nfs/dbraw/zinc/13/88/69/502138869.db2.gz YDAIBPLFLBMFDW-UHFFFAOYSA-N -1 3 369.812 3.079 20 0 FGADHM CC[C@H]1CCC[C@H]1NC(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000464915630 502144148 /nfs/dbraw/zinc/14/41/48/502144148.db2.gz XXXBLACMIVRMKF-GXTWGEPZSA-N -1 3 369.487 3.157 20 0 FGADHM Cn1c2cc([O-])c(NC(=O)C[C@H]3CCCc4ccccc43)cc2n(C)c1=O ZINC000461604606 502151142 /nfs/dbraw/zinc/15/11/42/502151142.db2.gz BFRXOGKVDHMKMT-CQSZACIVSA-N -1 3 365.433 3.031 20 0 FGADHM CCN(C)CCN=c1[n-]nc(-c2cc(Br)ccc2C)s1 ZINC000468698983 502151882 /nfs/dbraw/zinc/15/18/82/502151882.db2.gz RDRHQZUJYXZDPP-UHFFFAOYSA-N -1 3 355.305 3.062 20 0 FGADHM CO[C@H](C)CN(C(=O)NCc1ccc([O-])c(Br)c1)C(C)C ZINC000486431419 502151896 /nfs/dbraw/zinc/15/18/96/502151896.db2.gz QMUVOJLBVVXMPV-LLVKDONJSA-N -1 3 359.264 3.110 20 0 FGADHM CCc1c(NC(=O)c2cnc3c(cnn3C)c2[O-])cnn1C(CC)CC ZINC000482686846 502152470 /nfs/dbraw/zinc/15/24/70/502152470.db2.gz AECVIERYMAWPSL-UHFFFAOYSA-N -1 3 356.430 3.046 20 0 FGADHM C[C@@H](Cc1ccc(Cl)cc1)C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C ZINC000461622415 502155654 /nfs/dbraw/zinc/15/56/54/502155654.db2.gz CIEWOWZPJKGQJZ-NSHDSACASA-N -1 3 373.840 3.053 20 0 FGADHM CCc1ccc([O-])c(C(=O)N[C@H]2C[C@H](C)S(=O)(=O)c3sccc32)c1 ZINC000461625503 502156733 /nfs/dbraw/zinc/15/67/33/502156733.db2.gz HTHOGFPEXGPHIO-HZMBPMFUSA-N -1 3 365.476 3.053 20 0 FGADHM CCc1ccc([O-])c(C(=O)N(Cc2ccccc2)C[C@]2(O)CCO[C@H]2C)c1 ZINC000468714504 502157014 /nfs/dbraw/zinc/15/70/14/502157014.db2.gz LHDOCIJROLHKSW-KSFYIVLOSA-N -1 3 369.461 3.137 20 0 FGADHM CCCCn1ncc(NC(=O)c2cnc3c(cnn3C)c2[O-])c1C(C)C ZINC000482737579 502164487 /nfs/dbraw/zinc/16/44/87/502164487.db2.gz ABTHZLFKZUNUBO-UHFFFAOYSA-N -1 3 356.430 3.046 20 0 FGADHM Cc1cc2[nH]ncc2cc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000479131529 502172372 /nfs/dbraw/zinc/17/23/72/502172372.db2.gz HMQBBZVEGUIYEU-UHFFFAOYSA-N -1 3 356.329 3.086 20 0 FGADHM COc1ccc([O-])c(C(=O)NCCCOc2ccc(C(F)(F)F)cn2)c1 ZINC000482780959 502179068 /nfs/dbraw/zinc/17/90/68/502179068.db2.gz KFBLGXLWFNZRKV-UHFFFAOYSA-N -1 3 370.327 3.014 20 0 FGADHM C[N-]S(=O)(=O)c1cc(NC(=O)N[C@@H](C)CCC(C)(C)C)ccc1F ZINC000486541608 502185552 /nfs/dbraw/zinc/18/55/52/502185552.db2.gz TYMMSJMUPGFYJS-NSHDSACASA-N -1 3 359.467 3.070 20 0 FGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H](C)C(=O)OC(C)C)c1Cl ZINC000479220530 502196592 /nfs/dbraw/zinc/19/65/92/502196592.db2.gz FEILRKBXTXPBMS-SNVBAGLBSA-N -1 3 368.282 3.168 20 0 FGADHM CCOc1nc2cc(C(=O)N[C@H](C)c3cc(OC)ccc3OC)ccc2[n-]1 ZINC000468830274 502197951 /nfs/dbraw/zinc/19/79/51/502197951.db2.gz DVCFLKKQOFKRLI-GFCCVEGCSA-N -1 3 369.421 3.470 20 0 FGADHM CCOc1nc2ccc(C(=O)N[C@H](C)c3cc(OC)ccc3OC)cc2[n-]1 ZINC000468830274 502197955 /nfs/dbraw/zinc/19/79/55/502197955.db2.gz DVCFLKKQOFKRLI-GFCCVEGCSA-N -1 3 369.421 3.470 20 0 FGADHM C[C@@H]1CCN(C(=O)c2c[nH]c(C(=O)N3CCCC3)c2)c2c([O-])cccc21 ZINC000468835784 502200153 /nfs/dbraw/zinc/20/01/53/502200153.db2.gz DCDYPIUPEPOYNO-CYBMUJFWSA-N -1 3 353.422 3.110 20 0 FGADHM COC(=O)[C@@H](NC(=O)c1cc([O-])c2ccccc2c1)c1ccc(OC)cc1 ZINC000472022733 502201338 /nfs/dbraw/zinc/20/13/38/502201338.db2.gz QXUCUCOTGJTGLN-IBGZPJMESA-N -1 3 365.385 3.198 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CC(C)(C)O3)cc1F ZINC000468872860 502213954 /nfs/dbraw/zinc/21/39/54/502213954.db2.gz HVMZYELXGMGVOX-UHFFFAOYSA-N -1 3 351.399 3.349 20 0 FGADHM Cc1cccc(F)c1S(=O)(=O)[N-]Cc1sccc1Br ZINC000475580430 502219035 /nfs/dbraw/zinc/21/90/35/502219035.db2.gz CBITZQGQEJJYKA-UHFFFAOYSA-N -1 3 364.261 3.437 20 0 FGADHM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1)c1ccc(C)c(C)c1 ZINC000468894405 502221438 /nfs/dbraw/zinc/22/14/38/502221438.db2.gz JGAQCBOEAIXNFR-INIZCTEOSA-N -1 3 367.854 3.149 20 0 FGADHM CCCCNC(=O)C1CCN(C(=O)CCCc2ccc([O-])c(F)c2)CC1 ZINC000468926408 502232522 /nfs/dbraw/zinc/23/25/22/502232522.db2.gz IOXKAAOTYGYDKV-UHFFFAOYSA-N -1 3 364.461 3.009 20 0 FGADHM O=C(CCCc1ccc([O-])c(F)c1)N(C[C@@H]1CCCO1)[C@H]1CCSC1 ZINC000468928567 502233940 /nfs/dbraw/zinc/23/39/40/502233940.db2.gz LTMTYGMGRHCMPY-HOTGVXAUSA-N -1 3 367.486 3.367 20 0 FGADHM CCCC1CCC(N(C)C(=O)[C@@H](C)[N-]S(=O)(=O)c2cccs2)CC1 ZINC000483078564 502265774 /nfs/dbraw/zinc/26/57/74/502265774.db2.gz XSBMNQMGFINNBH-WLYUNCDWSA-N -1 3 372.556 3.232 20 0 FGADHM CCC[C@H](CCc1ccccc1)NC(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000483084583 502266305 /nfs/dbraw/zinc/26/63/05/502266305.db2.gz FFTFCJGDUQCACI-CYBMUJFWSA-N -1 3 369.391 3.424 20 0 FGADHM CCC[C@H](CCc1ccccc1)NC(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000483084583 502266308 /nfs/dbraw/zinc/26/63/08/502266308.db2.gz FFTFCJGDUQCACI-CYBMUJFWSA-N -1 3 369.391 3.424 20 0 FGADHM CCC[C@H](CCc1ccccc1)NC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000483084583 502266315 /nfs/dbraw/zinc/26/63/15/502266315.db2.gz FFTFCJGDUQCACI-CYBMUJFWSA-N -1 3 369.391 3.424 20 0 FGADHM CCc1nc(CC[N-]S(=O)(=O)c2cc(F)c(C)cc2F)sc1C ZINC000475733475 502271226 /nfs/dbraw/zinc/27/12/26/502271226.db2.gz UACNBNIOIYPMSO-UHFFFAOYSA-N -1 3 360.451 3.122 20 0 FGADHM Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCOc3ccc(F)cc32)cc1F ZINC000475736317 502273005 /nfs/dbraw/zinc/27/30/05/502273005.db2.gz YMCJNHSXYASXAP-CQSZACIVSA-N -1 3 357.353 3.214 20 0 FGADHM O=S(=O)([N-][C@H]1[C@@H]2CCC[C@@H]21)c1cccc(Cl)c1Br ZINC000486831102 502277905 /nfs/dbraw/zinc/27/79/05/502277905.db2.gz FJTLLNOMLWQSQU-JDICNCQASA-N -1 3 350.665 3.179 20 0 FGADHM Cc1cccc([C@H](CC(=O)N2CC[C@H](C)c3cccc([O-])c32)NC(N)=O)c1 ZINC000469054015 502279945 /nfs/dbraw/zinc/27/99/45/502279945.db2.gz PBVLYXBKXBVOQO-YOEHRIQHSA-N -1 3 367.449 3.341 20 0 FGADHM CC[C@@H](C)Oc1cc(C)ccc1C[N-]S(=O)(=O)Cc1cc(C)no1 ZINC000465502597 502280953 /nfs/dbraw/zinc/28/09/53/502280953.db2.gz REOABWTZKMKMEO-CQSZACIVSA-N -1 3 352.456 3.088 20 0 FGADHM Cc1cncc(NC(=O)c2cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c2)c1 ZINC000472262326 502288686 /nfs/dbraw/zinc/28/86/86/502288686.db2.gz RJLVBUMBGODKSG-UHFFFAOYSA-N -1 3 373.356 3.033 20 0 FGADHM C[C@@H]1CN(S(=O)(=O)[N-]c2ccccc2Oc2ccccc2)[C@@H](C)CO1 ZINC000462072535 502295226 /nfs/dbraw/zinc/29/52/26/502295226.db2.gz SJJXIORARRKEIX-LSDHHAIUSA-N -1 3 362.451 3.245 20 0 FGADHM COCc1nocc1C(=O)[N-]c1ccc(C(=O)OC(C)(C)C)cc1F ZINC000486900164 502298305 /nfs/dbraw/zinc/29/83/05/502298305.db2.gz HXIDPRPQPXYANY-UHFFFAOYSA-N -1 3 350.346 3.168 20 0 FGADHM CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)[N-]c1nc(C)nn1-c1ccccc1 ZINC000479572525 502301427 /nfs/dbraw/zinc/30/14/27/502301427.db2.gz FJNGRXVOCWDKIC-JLSDUUJJSA-N -1 3 356.470 3.310 20 0 FGADHM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2c(Cl)ccc3ccccc32)CN1C1CC1 ZINC000472310350 502310121 /nfs/dbraw/zinc/31/01/21/502310121.db2.gz LCEJVPRZQZOIKM-GXTWGEPZSA-N -1 3 364.898 3.397 20 0 FGADHM Cc1nccn1CCCC[N-]S(=O)(=O)c1oc2ccc(F)cc2c1C ZINC000472328054 502317262 /nfs/dbraw/zinc/31/72/62/502317262.db2.gz PJFJRKRLNBDSOB-UHFFFAOYSA-N -1 3 365.430 3.144 20 0 FGADHM CCCn1c(=O)[n-]nc1SCC(=O)Cc1cccc(Br)c1 ZINC000475968353 502347123 /nfs/dbraw/zinc/34/71/23/502347123.db2.gz SPIMWQUXNPDISE-UHFFFAOYSA-N -1 3 370.272 3.060 20 0 FGADHM CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000469238832 502347321 /nfs/dbraw/zinc/34/73/21/502347321.db2.gz POTPPGIBNDXVEL-HNNXBMFYSA-N -1 3 360.433 3.220 20 0 FGADHM CCc1[n-][nH]c(=NC(=O)[C@@H]2C[C@]2(C)C(C)C)c1-c1ccc2c(c1)OCO2 ZINC000483331862 502352300 /nfs/dbraw/zinc/35/23/00/502352300.db2.gz AHIGBRMWUDMAGW-RNODOKPDSA-N -1 3 355.438 3.410 20 0 FGADHM COC(=O)c1c(C)nc(=O)[n-]c1SCc1ccc(Cl)cc1OC ZINC000475995524 502352983 /nfs/dbraw/zinc/35/29/83/502352983.db2.gz OJMFDBDGRFREGY-UHFFFAOYSA-N -1 3 354.815 3.232 20 0 FGADHM CC(C)[C@@H]1OCCC[C@H]1C[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000487092627 502356800 /nfs/dbraw/zinc/35/68/00/502356800.db2.gz XTXWVPNNEZEJAD-WFASDCNBSA-N -1 3 365.417 3.435 20 0 FGADHM O=S(=O)([N-]C[C@@H]1SCCc2ccccc21)c1cc(F)c(F)c(F)c1 ZINC000487117601 502364858 /nfs/dbraw/zinc/36/48/58/502364858.db2.gz PSVLFEBBJNYQPC-HNNXBMFYSA-N -1 3 373.421 3.413 20 0 FGADHM COC(=O)C[C@](C)(NC(=O)c1cc([O-])c2ccccc2c1)c1ccccn1 ZINC000472595368 502395659 /nfs/dbraw/zinc/39/56/59/502395659.db2.gz HBVBGCYAFJHBTC-NRFANRHFSA-N -1 3 364.401 3.149 20 0 FGADHM CCCCS(=O)(=O)[N-][C@](C)(C(=O)OC)c1ccc(Cl)c(Cl)c1 ZINC000476173502 502404367 /nfs/dbraw/zinc/40/43/67/502404367.db2.gz SLQBZUVNHWGUPD-AWEZNQCLSA-N -1 3 368.282 3.101 20 0 FGADHM COC(=O)[C@@H]1c2ccccc2CCN1C(=O)CCCc1ccc([O-])c(F)c1 ZINC000469413433 502406890 /nfs/dbraw/zinc/40/68/90/502406890.db2.gz GADSXPYKYYTPFC-FQEVSTJZSA-N -1 3 371.408 3.153 20 0 FGADHM CCc1ncc(S(=O)(=O)[N-][C@@H](COC)c2ccc(Cl)cc2)s1 ZINC000487331859 502419668 /nfs/dbraw/zinc/41/96/68/502419668.db2.gz AMFQUSGVCJSDFH-LBPRGKRZSA-N -1 3 360.888 3.025 20 0 FGADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000483552672 502428880 /nfs/dbraw/zinc/42/88/80/502428880.db2.gz OSHOHLASFHZEQU-SNVBAGLBSA-N -1 3 373.766 3.176 20 0 FGADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000483552672 502428885 /nfs/dbraw/zinc/42/88/85/502428885.db2.gz OSHOHLASFHZEQU-SNVBAGLBSA-N -1 3 373.766 3.176 20 0 FGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000483552672 502428890 /nfs/dbraw/zinc/42/88/90/502428890.db2.gz OSHOHLASFHZEQU-SNVBAGLBSA-N -1 3 373.766 3.176 20 0 FGADHM Cc1ccc(C)c([C@@H](C)N(C)C(=O)NCc2nnc(C(F)(F)F)[n-]2)c1 ZINC000483557323 502430420 /nfs/dbraw/zinc/43/04/20/502430420.db2.gz GHHSKKSAXFGZPC-LLVKDONJSA-N -1 3 355.364 3.343 20 0 FGADHM Cc1ccc(C)c([C@@H](C)N(C)C(=O)NCc2n[n-]c(C(F)(F)F)n2)c1 ZINC000483557323 502430424 /nfs/dbraw/zinc/43/04/24/502430424.db2.gz GHHSKKSAXFGZPC-LLVKDONJSA-N -1 3 355.364 3.343 20 0 FGADHM Cc1ccc(C)c([C@@H](C)N(C)C(=O)NCc2nc(C(F)(F)F)n[n-]2)c1 ZINC000483557323 502430428 /nfs/dbraw/zinc/43/04/28/502430428.db2.gz GHHSKKSAXFGZPC-LLVKDONJSA-N -1 3 355.364 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367.336 3.338 20 0 FGADHM O=C(Cc1ccc(Br)cc1[O-])N1CCC[C@@H]1c1ccncc1 ZINC000477187527 502703284 /nfs/dbraw/zinc/70/32/84/502703284.db2.gz CCEMOACMPQVULI-OAHLLOKOSA-N -1 3 361.239 3.456 20 0 FGADHM CSc1ccc(F)cc1C[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000466867049 502708124 /nfs/dbraw/zinc/70/81/24/502708124.db2.gz VPSGNPUBTSJFPZ-UHFFFAOYSA-N -1 3 365.373 3.443 20 0 FGADHM Cc1ccc(C(=O)Nc2n[n-]c(-c3cc(Cl)ccc3Cl)n2)c(=O)[nH]1 ZINC000463170012 502712153 /nfs/dbraw/zinc/71/21/53/502712153.db2.gz JRTYREIQOMXTFF-UHFFFAOYSA-N -1 3 364.192 3.440 20 0 FGADHM CO[C@H](C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)C(C)(C)C ZINC000466880648 502712694 /nfs/dbraw/zinc/71/26/94/502712694.db2.gz BJLCPXWSGRYACU-GFCCVEGCSA-N -1 3 357.369 3.184 20 0 FGADHM CCCc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc[nH]n3)cc2F)cc1 ZINC000470255149 502717751 /nfs/dbraw/zinc/71/77/51/502717751.db2.gz BJPLRWJJLVIHSY-UHFFFAOYSA-N -1 3 360.414 3.364 20 0 FGADHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)c1cnc(-c2ccccc2F)s1 ZINC000473845276 502720780 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CSc1nc(NC(=O)[C@@H](C)Cc2ccc(Br)cc2)n[n-]1 ZINC000498289699 503151515 /nfs/dbraw/zinc/15/15/15/503151515.db2.gz ZZSFTCGIZRMPIO-QMMMGPOBSA-N -1 3 355.261 3.106 20 0 FGADHM CO[C@@H]1C[C@@H](CC(=O)[O-])N(Cc2cc(-c3ccc(Cl)cc3)no2)C1 ZINC000514678761 503165295 /nfs/dbraw/zinc/16/52/95/503165295.db2.gz TZLPAMDNCCDNAT-UONOGXRCSA-N -1 3 350.802 3.059 20 0 FGADHM CN(CC(=O)Nc1cccc(F)c1)Cc1cc([O-])ccc1Br ZINC000506780352 503170879 /nfs/dbraw/zinc/17/08/79/503170879.db2.gz WJGIOFDVTGWOJA-UHFFFAOYSA-N -1 3 367.218 3.364 20 0 FGADHM O=S(=O)([N-]CC1(c2ccccc2Br)CCC1)c1ccco1 ZINC000490455675 503177499 /nfs/dbraw/zinc/17/74/99/503177499.db2.gz XFVLBADZUZNBBV-UHFFFAOYSA-N -1 3 370.268 3.442 20 0 FGADHM Cc1nc(S(=O)(=O)C[C@H]2Cc3ccccc3O2)[n-]c1-c1ccccc1 ZINC000490463698 503178903 /nfs/dbraw/zinc/17/89/03/503178903.db2.gz GXQVFMQKOXOELN-MRXNPFEDSA-N -1 3 354.431 3.163 20 0 FGADHM Cc1[n-]c(S(=O)(=O)C[C@H]2Cc3ccccc3O2)nc1-c1ccccc1 ZINC000490463698 503178906 /nfs/dbraw/zinc/17/89/06/503178906.db2.gz 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503201930 /nfs/dbraw/zinc/20/19/30/503201930.db2.gz SOAKQENVNQWVNF-KRWDZBQOSA-N -1 3 351.447 3.170 20 0 FGADHM Cc1cc(C(=O)N2CCN(Cc3c(F)cccc3Cl)CC2)ccc1[O-] ZINC000498530408 503202402 /nfs/dbraw/zinc/20/24/02/503202402.db2.gz UULXGPZTIOCICV-UHFFFAOYSA-N -1 3 362.832 3.451 20 0 FGADHM O=S(=O)([N-]C[C@@H]1CCCCO1)c1cc(Cl)ccc1OCCC1CC1 ZINC000490623800 503205777 /nfs/dbraw/zinc/20/57/77/503205777.db2.gz GMTLMTJAHINHGZ-HNNXBMFYSA-N -1 3 373.902 3.366 20 0 FGADHM C[C@H](CF)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000490659208 503210211 /nfs/dbraw/zinc/21/02/11/503210211.db2.gz ZHFUMGBWZDHYPX-LLVKDONJSA-N -1 3 370.833 3.229 20 0 FGADHM O=C(C[N-]S(=O)(=O)CCC1CCCCC1)C1CCC(F)(F)CC1 ZINC000514857861 503211881 /nfs/dbraw/zinc/21/18/81/503211881.db2.gz WRAYFBCMWAEBKR-UHFFFAOYSA-N -1 3 351.459 3.271 20 0 FGADHM COc1nnc(NC(=O)c2ccc(-c3ccc(OC(F)F)cc3)s2)[n-]1 ZINC000490743191 503220597 /nfs/dbraw/zinc/22/05/97/503220597.db2.gz DLPZPKBBWBSXQD-UHFFFAOYSA-N -1 3 366.349 3.396 20 0 FGADHM COc1nc(NC(=O)c2ccc(-c3ccc(OC(F)F)cc3)s2)n[n-]1 ZINC000490743191 503220600 /nfs/dbraw/zinc/22/06/00/503220600.db2.gz DLPZPKBBWBSXQD-UHFFFAOYSA-N -1 3 366.349 3.396 20 0 FGADHM COc1n[n-]c(NC(=O)c2ccc(-c3ccc(OC(F)F)cc3)s2)n1 ZINC000490743191 503220602 /nfs/dbraw/zinc/22/06/02/503220602.db2.gz DLPZPKBBWBSXQD-UHFFFAOYSA-N -1 3 366.349 3.396 20 0 FGADHM O=C1C[C@@H](NCc2c(F)ccc([O-])c2F)CN1c1ccccc1Cl ZINC000510968613 503227341 /nfs/dbraw/zinc/22/73/41/503227341.db2.gz NUHUVYNNLOTZTP-SNVBAGLBSA-N -1 3 352.768 3.219 20 0 FGADHM O=C([N-]c1cnoc1)c1cnn(-c2ncccc2Cl)c1C(F)(F)F ZINC000593050520 506359363 /nfs/dbraw/zinc/35/93/63/506359363.db2.gz NPDBDXLYJAZZEL-UHFFFAOYSA-N -1 3 357.679 3.180 20 0 FGADHM CCc1nnc(-c2ccc(NC(=O)c3[n-]nc4c3cccc4OC)cc2)o1 ZINC000514972617 503239372 /nfs/dbraw/zinc/23/93/72/503239372.db2.gz MGSFCODETRNFSS-UHFFFAOYSA-N -1 3 363.377 3.436 20 0 FGADHM CCc1nnc(-c2ccc(NC(=O)c3n[n-]c4c3cccc4OC)cc2)o1 ZINC000514972617 503239374 /nfs/dbraw/zinc/23/93/74/503239374.db2.gz MGSFCODETRNFSS-UHFFFAOYSA-N -1 3 363.377 3.436 20 0 FGADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)c2ccc3n[nH]cc3c2)c(F)cc1F ZINC000511052779 503242773 /nfs/dbraw/zinc/24/27/73/503242773.db2.gz RAXNSQIDYKVPCE-JTQLQIEISA-N -1 3 351.378 3.189 20 0 FGADHM O=C(NCC1(Cc2ccccc2)CCCC1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000490912112 503244877 /nfs/dbraw/zinc/24/48/77/503244877.db2.gz NZMPHYPUOLCDON-UHFFFAOYSA-N -1 3 362.429 3.103 20 0 FGADHM CC[C@@H](Oc1ccccc1C(C)C)C(=O)N=c1cc(OC(F)F)n(C)[n-]1 ZINC000490934900 503249472 /nfs/dbraw/zinc/24/94/72/503249472.db2.gz GSYJFNBABGILLA-CYBMUJFWSA-N -1 3 367.396 3.363 20 0 FGADHM CCn1c(=O)oc2cc(S(=O)(=O)[N-]c3cccc(F)c3Cl)ccc21 ZINC000515015306 503250691 /nfs/dbraw/zinc/25/06/91/503250691.db2.gz RGZVLNQBBJYGHM-UHFFFAOYSA-N -1 3 370.789 3.208 20 0 FGADHM COc1cc(F)c([C@H](C)NC(=O)c2c[n-]nc2-c2ccccn2)cc1OC ZINC000515021905 503253145 /nfs/dbraw/zinc/25/31/45/503253145.db2.gz RNKOGHHJXANVQX-NSHDSACASA-N -1 3 370.384 3.119 20 0 FGADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)C2CCSCC2)[nH][n-]1 ZINC000602942168 506361062 /nfs/dbraw/zinc/36/10/62/506361062.db2.gz ZBVWTTITISJSKY-UHFFFAOYSA-N -1 3 351.859 3.242 20 0 FGADHM O=S(=O)([N-][C@@H](CO)CC1CCCC1)c1ccc(Cl)c(Cl)c1 ZINC000511175508 503274196 /nfs/dbraw/zinc/27/41/96/503274196.db2.gz XSAQDXIZBRYTDF-LLVKDONJSA-N -1 3 352.283 3.213 20 0 FGADHM COC(=O)CC1([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)CCCC1 ZINC000511213357 503281693 /nfs/dbraw/zinc/28/16/93/503281693.db2.gz KZSJJYOGKOXMBC-UHFFFAOYSA-N -1 3 366.266 3.148 20 0 FGADHM C[C@H](C(=O)N=c1cc2ccc(Br)cn2[n-]1)c1cccc(F)c1 ZINC000511281717 503292550 /nfs/dbraw/zinc/29/25/50/503292550.db2.gz OQZJHRMPFWWKOH-JTQLQIEISA-N -1 3 362.202 3.400 20 0 FGADHM CSc1ccc(C(=O)N=c2cc3ccc(Br)cn3[n-]2)o1 ZINC000511318210 503299701 /nfs/dbraw/zinc/29/97/01/503299701.db2.gz CMWHFTDNZUDSDO-UHFFFAOYSA-N -1 3 352.213 3.086 20 0 FGADHM Cc1ccc(-c2cc(C(=O)[N-]c3ccccc3S(C)(=O)=O)on2)cc1 ZINC000515242954 503300520 /nfs/dbraw/zinc/30/05/20/503300520.db2.gz SWEGEUSRUDYUKK-UHFFFAOYSA-N -1 3 356.403 3.306 20 0 FGADHM CC(=O)c1ccc(C(=O)N=c2cc3ccc(Br)cn3[n-]2)s1 ZINC000511355555 503305526 /nfs/dbraw/zinc/30/55/26/503305526.db2.gz QDKCQRAXMGZQGH-UHFFFAOYSA-N -1 3 364.224 3.035 20 0 FGADHM CC(C)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)C1 ZINC000507502835 503309901 /nfs/dbraw/zinc/30/99/01/503309901.db2.gz DKGIITWBCQZREW-OCCSQVGLSA-N -1 3 368.474 3.204 20 0 FGADHM C[C@]1(C[N-]S(=O)(=O)c2cc(Cl)ccc2OCCC2CC2)CCCO1 ZINC000491534759 503317114 /nfs/dbraw/zinc/31/71/14/503317114.db2.gz WUFJNWZBQQJXSW-QGZVFWFLSA-N -1 3 373.902 3.366 20 0 FGADHM CCCCOc1ccc(C(=O)N=c2cc(-c3ccncc3)[n-][nH]2)cc1OC ZINC000502980092 503318046 /nfs/dbraw/zinc/31/80/46/503318046.db2.gz HGTJJWDWHFNMCU-UHFFFAOYSA-N -1 3 366.421 3.333 20 0 FGADHM CS(=O)(=O)[N-]c1cc(NC(=O)CCc2cccc(Cl)c2)ccc1F ZINC000515358749 503323199 /nfs/dbraw/zinc/32/31/99/503323199.db2.gz PNBGSJAUFCLEMS-UHFFFAOYSA-N -1 3 370.833 3.422 20 0 FGADHM CC[C@H](COC)[N-]S(=O)(=O)c1cc(Cl)ccc1OCCC1CC1 ZINC000491607220 503323844 /nfs/dbraw/zinc/32/38/44/503323844.db2.gz 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ZINC000491857307 503334207 /nfs/dbraw/zinc/33/42/07/503334207.db2.gz SWWPFGBJLGNZSV-UHFFFAOYSA-N -1 3 354.797 3.097 20 0 FGADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C)c(F)cc2Cl)cc1 ZINC000507635512 503336454 /nfs/dbraw/zinc/33/64/54/503336454.db2.gz LZKSTHPBMVZPIU-UHFFFAOYSA-N -1 3 357.790 3.375 20 0 FGADHM C[C@@H]1Oc2ccccc2[C@@H]1[N-]S(=O)(=O)c1ccccc1Br ZINC000582687348 506365353 /nfs/dbraw/zinc/36/53/53/506365353.db2.gz BRUUACLUVKUHHK-ZUZCIYMTSA-N -1 3 368.252 3.250 20 0 FGADHM O=C(Cc1ccc(Br)cc1[O-])N1CC[C@H](CC(F)(F)F)C1 ZINC000507699484 503349926 /nfs/dbraw/zinc/34/99/26/503349926.db2.gz JAWBFRHSIVLNCF-SECBINFHSA-N -1 3 366.177 3.498 20 0 FGADHM C[C@@H]1C[C@@H](CCNC(=O)Cc2ccc(Br)cc2[O-])CCO1 ZINC000499223426 503359063 /nfs/dbraw/zinc/35/90/63/503359063.db2.gz QEJVTYPXVIDLKA-NEPJUHHUSA-N -1 3 356.260 3.019 20 0 FGADHM COc1ccc(-c2nc(C)c(C(=O)[N-]c3nncs3)s2)c(F)c1 ZINC000503168540 503359274 /nfs/dbraw/zinc/35/92/74/503359274.db2.gz BYBRULYIHUNFRO-UHFFFAOYSA-N -1 3 350.400 3.370 20 0 FGADHM CC(C)(C)Oc1cccc(C[N-]S(=O)(=O)Cc2c(F)cccc2F)n1 ZINC000503231549 503373247 /nfs/dbraw/zinc/37/32/47/503373247.db2.gz KIAPAMZVQBJSNE-UHFFFAOYSA-N -1 3 370.421 3.157 20 0 FGADHM O=C(CNC(=O)c1ccc([O-])cc1)N[C@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000515611415 503373594 /nfs/dbraw/zinc/37/35/94/503373594.db2.gz CXKFKEINLKMXOD-WBVHZDCISA-N -1 3 372.852 3.228 20 0 FGADHM CCN=c1[n-]c(C(=O)Nc2cnc(N3CCCC[C@@H]3C)c(C)c2)cs1 ZINC000507831510 503375469 /nfs/dbraw/zinc/37/54/69/503375469.db2.gz XISQAYOTMMCQQF-ZDUSSCGKSA-N -1 3 359.499 3.331 20 0 FGADHM COC(=O)[C@H](CS(=O)(=O)[N-]c1cc(C)ccc1Cl)c1ccccc1 ZINC000507885650 503387521 /nfs/dbraw/zinc/38/75/21/503387521.db2.gz FAAVABYWUSTKEB-CQSZACIVSA-N -1 3 367.854 3.347 20 0 FGADHM COc1cc(C(=O)NCc2ccncc2OCc2ccccc2)ccc1[O-] ZINC000515817303 503407070 /nfs/dbraw/zinc/40/70/70/503407070.db2.gz MBXBVFFZRKRCNM-UHFFFAOYSA-N -1 3 364.401 3.305 20 0 FGADHM CCCC1CCC([N-]S(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)CC1 ZINC000511879808 503407354 /nfs/dbraw/zinc/40/73/54/503407354.db2.gz RKAOVMQPQQWDFL-UHFFFAOYSA-N -1 3 368.474 3.348 20 0 FGADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-]CC1(C)CCC1 ZINC000503439718 503409705 /nfs/dbraw/zinc/40/97/05/503409705.db2.gz WCRGUFJBTLGJAC-UHFFFAOYSA-N -1 3 366.252 3.065 20 0 FGADHM O=C([O-])[C@@H]1CCO[C@H]1C1CCN(Cc2ccc(-c3ncco3)cc2F)CC1 ZINC000515856535 503412673 /nfs/dbraw/zinc/41/26/73/503412673.db2.gz XVWYIOFFQWINFH-AEFFLSMTSA-N -1 3 374.412 3.182 20 0 FGADHM COc1cc(C(=O)Nc2cccc(-c3nnn[n-]3)c2)cc(OC)c1C(C)C ZINC000511932035 503418432 /nfs/dbraw/zinc/41/84/32/503418432.db2.gz MSDPNPWIXORHIB-UHFFFAOYSA-N -1 3 367.409 3.260 20 0 FGADHM COc1cc(C(=O)Nc2cccc(-c3nn[n-]n3)c2)cc(OC)c1C(C)C ZINC000511932035 503418437 /nfs/dbraw/zinc/41/84/37/503418437.db2.gz MSDPNPWIXORHIB-UHFFFAOYSA-N -1 3 367.409 3.260 20 0 FGADHM CCOc1ccc2nc(NC(=O)c3cc(F)cc4[n-]nnc43)sc2c1 ZINC000503491576 503420395 /nfs/dbraw/zinc/42/03/95/503420395.db2.gz HVVNOYPYTQWRJX-UHFFFAOYSA-N -1 3 357.370 3.358 20 0 FGADHM CCOc1ccc2nc(NC(=O)c3cc(F)cc4nn[n-]c43)sc2c1 ZINC000503491576 503420399 /nfs/dbraw/zinc/42/03/99/503420399.db2.gz HVVNOYPYTQWRJX-UHFFFAOYSA-N -1 3 357.370 3.358 20 0 FGADHM CCOc1ccc2nc(NC(=O)c3cc(F)cc4n[n-]nc43)sc2c1 ZINC000503491576 503420403 /nfs/dbraw/zinc/42/04/03/503420403.db2.gz HVVNOYPYTQWRJX-UHFFFAOYSA-N -1 3 357.370 3.358 20 0 FGADHM COC(=O)c1cc(C(=O)Nc2ccc(-c3cn4ccccc4n3)cc2)c[n-]1 ZINC000515999967 503431842 /nfs/dbraw/zinc/43/18/42/503431842.db2.gz DGGFZCQWUDSEBY-UHFFFAOYSA-N -1 3 360.373 3.368 20 0 FGADHM O=C1CCCN1[C@H]1CCC[C@H](NCc2cccc([O-])c2Br)C1 ZINC000516089245 503443603 /nfs/dbraw/zinc/44/36/03/503443603.db2.gz QAOLYYISGWUATP-KBPBESRZSA-N -1 3 367.287 3.178 20 0 FGADHM Cc1[nH]nc(C(F)F)c1NC(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000503668698 503455017 /nfs/dbraw/zinc/45/50/17/503455017.db2.gz XRTAZYXAEMVULV-UHFFFAOYSA-N -1 3 354.263 3.028 20 0 FGADHM Cc1[nH]nc(C(F)F)c1NC(=O)c1cnc2c(F)cc(F)cc2c1[O-] ZINC000503668698 503455019 /nfs/dbraw/zinc/45/50/19/503455019.db2.gz XRTAZYXAEMVULV-UHFFFAOYSA-N -1 3 354.263 3.028 20 0 FGADHM C[C@@H]1OCC[C@@]1(C)NCc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[n-]1 ZINC000516159975 503458790 /nfs/dbraw/zinc/45/87/90/503458790.db2.gz MCRNHWKPYMFGGU-JEOXALJRSA-N -1 3 373.453 3.448 20 0 FGADHM COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CCC[C@H]1C ZINC000499700945 503461144 /nfs/dbraw/zinc/46/11/44/503461144.db2.gz ASYWCCQLTDOTQX-OCCSQVGLSA-N -1 3 361.891 3.222 20 0 FGADHM COc1cc(F)c(S(=O)(=O)[N-]CC[C@@H]2CCCC[C@@H]2C)cc1OC ZINC000512143370 503469119 /nfs/dbraw/zinc/46/91/19/503469119.db2.gz QLMIFRKHEDDREK-STQMWFEESA-N -1 3 359.463 3.338 20 0 FGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H]1CCCC(F)(F)C1 ZINC000499742683 503471519 /nfs/dbraw/zinc/47/15/19/503471519.db2.gz NCXXCSNEJMEVBB-SNVBAGLBSA-N -1 3 353.818 3.452 20 0 FGADHM CC(C)c1ccc(CCC(=O)NCCCNC(=O)c2cccc([O-])c2)cc1 ZINC000508382303 503485530 /nfs/dbraw/zinc/48/55/30/503485530.db2.gz LFNNJOGPODXCBL-UHFFFAOYSA-N -1 3 368.477 3.385 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)[C@H]3C[C@]34CCc3ccccc34)[n-]c21 ZINC000494121895 503491696 /nfs/dbraw/zinc/49/16/96/503491696.db2.gz QXTKSCFWVPZCSA-VFNWGFHPSA-N -1 3 361.401 3.192 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@H]3C[C@]34CCc3ccccc34)nc21 ZINC000494121895 503491702 /nfs/dbraw/zinc/49/17/02/503491702.db2.gz QXTKSCFWVPZCSA-VFNWGFHPSA-N -1 3 361.401 3.192 20 0 FGADHM Cc1cc(C(=O)N2CCCC[C@H]2CNC(=O)c2ccccc2)ccc1[O-] ZINC000499836724 503491882 /nfs/dbraw/zinc/49/18/82/503491882.db2.gz VTWCOYOEBTVSHH-SFHVURJKSA-N -1 3 352.434 3.125 20 0 FGADHM CC(C)[C@@H]1C[C@@H]1C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000499855723 503495546 /nfs/dbraw/zinc/49/55/46/503495546.db2.gz NAQVRURYPCNZMH-STQMWFEESA-N -1 3 356.463 3.133 20 0 FGADHM CCCc1ccc(-c2cc(=NC(=O)[C@H]3CCn4c(C)ncc4C3)[nH][n-]2)cc1 ZINC000516353315 503499113 /nfs/dbraw/zinc/49/91/13/503499113.db2.gz SGVYDWFZUZHTHX-KRWDZBQOSA-N -1 3 363.465 3.157 20 0 FGADHM O=C(c1cc([O-])ccc1Cl)N1CCC[C@H](Oc2ncccc2F)C1 ZINC000508484792 503502976 /nfs/dbraw/zinc/50/29/76/503502976.db2.gz BQBWRVJHTLNFJE-LBPRGKRZSA-N -1 3 350.777 3.263 20 0 FGADHM COc1cc([C@H](C)NC(=O)c2cc(F)cc3nn[n-]c32)ccc1OC(C)C ZINC000504000680 503508525 /nfs/dbraw/zinc/50/85/25/503508525.db2.gz DMLSUZQXEWBDRU-NSHDSACASA-N -1 3 372.400 3.384 20 0 FGADHM COc1cc([C@H](C)NC(=O)c2cc(F)cc3[n-]nnc32)ccc1OC(C)C ZINC000504000680 503508526 /nfs/dbraw/zinc/50/85/26/503508526.db2.gz DMLSUZQXEWBDRU-NSHDSACASA-N -1 3 372.400 3.384 20 0 FGADHM COc1cc([C@H](C)NC(=O)c2cc(F)cc3n[n-]nc32)ccc1OC(C)C ZINC000504000680 503508532 /nfs/dbraw/zinc/50/85/32/503508532.db2.gz DMLSUZQXEWBDRU-NSHDSACASA-N -1 3 372.400 3.384 20 0 FGADHM CC(=O)c1cccc(O[C@@H](C)C(=O)N=c2cc(-c3ccccc3C)[n-][nH]2)c1 ZINC000512324782 503519762 /nfs/dbraw/zinc/51/97/62/503519762.db2.gz IGRNONRKSYELCX-HNNXBMFYSA-N -1 3 363.417 3.416 20 0 FGADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@H]2CCC(C)(C)O2)s1 ZINC000494337100 503527221 /nfs/dbraw/zinc/52/72/21/503527221.db2.gz ZNJGKSWRPIIULL-SECBINFHSA-N -1 3 368.318 3.055 20 0 FGADHM CC1(C)CCC[C@@H]1c1nc(-c2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)no1 ZINC000516601044 503546455 /nfs/dbraw/zinc/54/64/55/503546455.db2.gz QSXDUTYGALSTFQ-YJYMSZOUSA-N -1 3 354.410 3.085 20 0 FGADHM CCOc1ccc(OCCCc2nc(-c3ccc4n[n-]nc4c3)no2)cc1 ZINC000516614066 503550116 /nfs/dbraw/zinc/55/01/16/503550116.db2.gz ZMMKVTZHDTVKRR-UHFFFAOYSA-N -1 3 365.393 3.418 20 0 FGADHM COc1cc(NC(=O)c2cccc([O-])c2)ccc1NC(=O)c1cccnc1 ZINC000508734646 503553849 /nfs/dbraw/zinc/55/38/49/503553849.db2.gz BTFSRGNUNFMZQB-UHFFFAOYSA-N -1 3 363.373 3.300 20 0 FGADHM COc1ccccc1OCC(=O)N=c1cc(-c2cc(C)cc(C)c2)[n-][nH]1 ZINC000512552009 503582232 /nfs/dbraw/zinc/58/22/32/503582232.db2.gz YXUMKEORJZCKMP-UHFFFAOYSA-N -1 3 351.406 3.142 20 0 FGADHM COC(=O)c1c(F)cc([N-]C(=O)c2occc2Br)cc1F ZINC000512574485 503587943 /nfs/dbraw/zinc/58/79/43/503587943.db2.gz RYVQNJGPHDMZIQ-UHFFFAOYSA-N -1 3 360.110 3.359 20 0 FGADHM CCOc1cc(NC2CCN(Cc3cccc([O-])c3Cl)CC2)ncn1 ZINC000512604670 503593871 /nfs/dbraw/zinc/59/38/71/503593871.db2.gz NXQVCMIOSDNTGH-UHFFFAOYSA-N -1 3 362.861 3.311 20 0 FGADHM C[C@@H]1CN(CCC2CCN(Cc3c(F)ccc([O-])c3F)CC2)C[C@@H](C)O1 ZINC000508966614 503609317 /nfs/dbraw/zinc/60/93/17/503609317.db2.gz PPNOWFHLSBAWNA-HUUCEWRRSA-N -1 3 368.468 3.382 20 0 FGADHM Cc1cc(C(=O)N[C@@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)ccc1[O-] ZINC000500418696 503619655 /nfs/dbraw/zinc/61/96/55/503619655.db2.gz GYMFBDMUJPDSGM-GFCCVEGCSA-N -1 3 362.788 3.028 20 0 FGADHM C[C@H](C[C@@H]1CCCO1)[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000500420889 503620950 /nfs/dbraw/zinc/62/09/50/503620950.db2.gz LVQRLGHSYGHJGI-OCCSQVGLSA-N -1 3 352.481 3.046 20 0 FGADHM CN(Cc1cccc([O-])c1Cl)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000512727626 503621318 /nfs/dbraw/zinc/62/13/18/503621318.db2.gz JIOPMWJXDUTREY-HXUWFJFHSA-N -1 3 360.885 3.114 20 0 FGADHM COc1ccc(S(=O)(=O)[N-][C@@]2(C(F)(F)F)CCc3ccccc32)cc1 ZINC000546170915 503654183 /nfs/dbraw/zinc/65/41/83/503654183.db2.gz WHEDUICTSXHUHU-INIZCTEOSA-N -1 3 371.380 3.378 20 0 FGADHM COc1ccc(-c2ncc(C(=O)[N-]c3ncn(C(C)(C)C)n3)s2)cc1 ZINC000543171889 503658151 /nfs/dbraw/zinc/65/81/51/503658151.db2.gz JWMYRXRFZBNKMX-UHFFFAOYSA-N -1 3 357.439 3.418 20 0 FGADHM COc1ccc(CN2CC[C@@H](C(C)(C)C)[C@@H](O)C2)c(Br)c1[O-] ZINC000546197404 503666648 /nfs/dbraw/zinc/66/66/48/503666648.db2.gz NBRZWFBYRJGNSS-OLZOCXBDSA-N -1 3 372.303 3.392 20 0 FGADHM Cc1cc(=NC(=O)c2cc3c(C)nn(C)c3s2)[n-]n1-c1ccccc1 ZINC000540090953 503670176 /nfs/dbraw/zinc/67/01/76/503670176.db2.gz PESQLXYUCITBEH-UHFFFAOYSA-N -1 3 351.435 3.112 20 0 FGADHM CCOC(=O)CN(CCc1ccccc1)C(=O)c1cccc(CC)c1[O-] ZINC000536688495 503681907 /nfs/dbraw/zinc/68/19/07/503681907.db2.gz WXXJYBMZFONQJI-UHFFFAOYSA-N -1 3 355.434 3.203 20 0 FGADHM CCc1cccc(C(=O)N2CCN(C/C=C\c3ccccc3)CC2)c1[O-] ZINC000536688863 503681935 /nfs/dbraw/zinc/68/19/35/503681935.db2.gz IBKPZKLTBGHNDD-YFHOEESVSA-N -1 3 350.462 3.426 20 0 FGADHM CS(=O)(=O)[N-]c1ccc(C(=O)NCc2ccc(C3CCC3)cc2)cc1 ZINC000495159774 503685829 /nfs/dbraw/zinc/68/58/29/503685829.db2.gz UJINGSBDRMKRSA-UHFFFAOYSA-N -1 3 358.463 3.256 20 0 FGADHM COc1cncc(S(=O)(=O)[N-][C@H](C)c2ccccc2C(F)(F)F)c1 ZINC000543243032 503694721 /nfs/dbraw/zinc/69/47/21/503694721.db2.gz FUCOXBZSQYRYPO-SNVBAGLBSA-N -1 3 360.357 3.149 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)[C@@H](C)Cc3ccccc3F)[n-]c21 ZINC000533010630 503696867 /nfs/dbraw/zinc/69/68/67/503696867.db2.gz NFZMQWUPKBGJBY-NSHDSACASA-N -1 3 355.369 3.306 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@@H](C)Cc3ccccc3F)nc21 ZINC000533010630 503696872 /nfs/dbraw/zinc/69/68/72/503696872.db2.gz NFZMQWUPKBGJBY-NSHDSACASA-N -1 3 355.369 3.306 20 0 FGADHM CCCCOCCC[N-]S(=O)(=O)c1cc(Cl)c(OC)cc1Cl ZINC000517285377 503705191 /nfs/dbraw/zinc/70/51/91/503705191.db2.gz WQMVQDZFWZIABB-UHFFFAOYSA-N -1 3 370.298 3.487 20 0 FGADHM Cc1cc(S(=O)(=O)[N-][C@@H](c2ccccc2)[C@@H]2CCOC2)c(F)cc1F ZINC000536755763 503712981 /nfs/dbraw/zinc/71/29/81/503712981.db2.gz HIURSTBNKHALCF-KDOFPFPSSA-N -1 3 367.417 3.329 20 0 FGADHM O=S(=O)([N-][C@@H]1C[C@H]1Cc1ccccc1)c1cnccc1C(F)(F)F ZINC000527192596 503713539 /nfs/dbraw/zinc/71/35/39/503713539.db2.gz DNYWLAWTDLEBNF-TZMCWYRMSA-N -1 3 356.369 3.010 20 0 FGADHM Cc1nc2cc([N-]S(=O)(=O)c3ccc4c(c3)CCCO4)ccc2n1C ZINC000536760786 503715111 /nfs/dbraw/zinc/71/51/11/503715111.db2.gz KWTZRQGBISQUJU-UHFFFAOYSA-N -1 3 357.435 3.008 20 0 FGADHM O=S(=O)([N-][C@@H](c1ccccc1)[C@H]1CCOC1)c1ccc(Cl)s1 ZINC000536763240 503716121 /nfs/dbraw/zinc/71/61/21/503716121.db2.gz TUGPDSFTYCUEPB-WFASDCNBSA-N -1 3 357.884 3.458 20 0 FGADHM Cc1cc(NC(=O)NCc2cnc(C)[n-]c2=O)ccc1OCC(F)(F)F ZINC000543304993 503717134 /nfs/dbraw/zinc/71/71/34/503717134.db2.gz VPEVMXGEQRIYOV-UHFFFAOYSA-N -1 3 370.331 3.062 20 0 FGADHM O=C([N-]c1n[nH]c(-c2ccc(Cl)cc2)n1)c1cc2nccnc2cc1F ZINC000527207030 503719278 /nfs/dbraw/zinc/71/92/78/503719278.db2.gz QEAGJTOYUNAZTF-UHFFFAOYSA-N -1 3 368.759 3.460 20 0 FGADHM Cc1ccc(C(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)cc1Br ZINC000527209406 503720849 /nfs/dbraw/zinc/72/08/49/503720849.db2.gz PMKFQVLLPQDUQF-CYBMUJFWSA-N -1 3 350.216 3.006 20 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/nfs/dbraw/zinc/75/03/37/503750337.db2.gz FUQJOCBNGXIITQ-UHFFFAOYSA-N -1 3 352.481 3.251 20 0 FGADHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CCC[C@]2(CCc3ccccc3O2)C1 ZINC000529905896 503751818 /nfs/dbraw/zinc/75/18/18/503751818.db2.gz VJBMLBSYWPIRRG-NRFANRHFSA-N -1 3 365.433 3.060 20 0 FGADHM O=S(=O)([N-]Cc1nnc(C2CC2)o1)c1c(Cl)ccc2ccccc21 ZINC000527283703 503752417 /nfs/dbraw/zinc/75/24/17/503752417.db2.gz TVEFUBUXZWETJX-UHFFFAOYSA-N -1 3 363.826 3.232 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Br)c1ccon1 ZINC000543395726 503752624 /nfs/dbraw/zinc/75/26/24/503752624.db2.gz SVDSCSAAFCRGPO-ZETCQYMHSA-N -1 3 365.636 3.130 20 0 FGADHM CCCN(CCC)S(=O)(=O)[N-][C@@H](c1ccco1)c1ccccc1OC ZINC000533188617 503754296 /nfs/dbraw/zinc/75/42/96/503754296.db2.gz ZJWIIWQLXLCCKW-GOSISDBHSA-N -1 3 366.483 3.334 20 0 FGADHM Cc1ccc(NC(=O)Cc2nc(CNC3(C(=O)[O-])CCCC3)cs2)cc1 ZINC000533202607 503759855 /nfs/dbraw/zinc/75/98/55/503759855.db2.gz DOABCOKTSRMYNX-UHFFFAOYSA-N -1 3 373.478 3.120 20 0 FGADHM [O-]C(Nc1nc(-c2ccsc2)ns1)=C(c1ccccc1)n1cccn1 ZINC000517553880 503769477 /nfs/dbraw/zinc/76/94/77/503769477.db2.gz FUBUPHXABPGDJI-CQSZACIVSA-N -1 3 367.459 3.113 20 0 FGADHM COc1ccc(-c2noc(-c3ccc([N-]S(C)(=O)=O)cc3)n2)cc1C ZINC000546501708 503770625 /nfs/dbraw/zinc/77/06/25/503770625.db2.gz KAIMBQLBXVXBBH-UHFFFAOYSA-N -1 3 359.407 3.092 20 0 FGADHM CCc1ccc(-c2noc([C@@H](C)NC(=O)c3cccc4nn[n-]c43)n2)cc1 ZINC000527361362 503777784 /nfs/dbraw/zinc/77/77/84/503777784.db2.gz XUZGIVJULBLGBX-LLVKDONJSA-N -1 3 362.393 3.061 20 0 FGADHM CCc1ccc(-c2noc([C@@H](C)NC(=O)c3cccc4[n-]nnc43)n2)cc1 ZINC000527361362 503777789 /nfs/dbraw/zinc/77/77/89/503777789.db2.gz XUZGIVJULBLGBX-LLVKDONJSA-N -1 3 362.393 3.061 20 0 FGADHM CCc1ccc(-c2noc([C@@H](C)NC(=O)c3cccc4n[n-]nc43)n2)cc1 ZINC000527361362 503777795 /nfs/dbraw/zinc/77/77/95/503777795.db2.gz XUZGIVJULBLGBX-LLVKDONJSA-N -1 3 362.393 3.061 20 0 FGADHM CO[C@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000537020037 503778908 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/nfs/dbraw/zinc/08/37/49/504083749.db2.gz DMRBDXLKQAULEP-ZDUSSCGKSA-N -1 3 363.421 3.113 20 0 FGADHM COc1ccc([C@H](OC)[C@H](C)NC(=O)c2cc(=O)c3ccccc3[n-]2)cc1 ZINC000537923472 504083946 /nfs/dbraw/zinc/08/39/46/504083946.db2.gz BIAFAVQVZONIDC-RNODOKPDSA-N -1 3 366.417 3.043 20 0 FGADHM O=S(=O)(CCOCC(F)(F)F)[N-]c1cccc(OC2CCCC2)c1 ZINC000518883607 504084114 /nfs/dbraw/zinc/08/41/14/504084114.db2.gz HVNFMENSLQEMIV-UHFFFAOYSA-N -1 3 367.389 3.329 20 0 FGADHM CC1CCC(c2noc(CC[N-]S(=O)(=O)c3ccccc3F)n2)CC1 ZINC000544319948 504086168 /nfs/dbraw/zinc/08/61/68/504086168.db2.gz OGFPKLOBIPODGR-UHFFFAOYSA-N -1 3 367.446 3.023 20 0 FGADHM Cc1ccc([O-])c(NC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)n1 ZINC000544346944 504097060 /nfs/dbraw/zinc/09/70/60/504097060.db2.gz WMNOPOJFZCCPLI-UHFFFAOYSA-N -1 3 358.785 3.370 20 0 FGADHM Cc1ncc(CNC(=O)NCC(C)(C)Cc2cccc(Cl)c2)c(=O)[n-]1 ZINC000541340909 504098035 /nfs/dbraw/zinc/09/80/35/504098035.db2.gz XVMZDIPIZMKBRQ-UHFFFAOYSA-N -1 3 362.861 3.212 20 0 FGADHM O=S(=O)([N-][C@@H]1C=CCCC1)c1ccc(Cl)cc1Br ZINC000544350956 504098654 /nfs/dbraw/zinc/09/86/54/504098654.db2.gz GKWHNVIUVFSQQG-SNVBAGLBSA-N -1 3 350.665 3.490 20 0 FGADHM O=S(=O)([N-]C[C@H]1CCCCS1)c1cccc(Br)c1F ZINC000544353772 504099666 /nfs/dbraw/zinc/09/96/66/504099666.db2.gz ZBRMXHRYNYRJCB-SECBINFHSA-N -1 3 368.293 3.152 20 0 FGADHM CN(C)[C@H](CNC(=O)c1cc(=O)c2ccccc2[n-]1)c1ccc(Cl)cc1 ZINC000530831201 504100273 /nfs/dbraw/zinc/10/02/73/504100273.db2.gz XCKSJMMNLJDFOC-GOSISDBHSA-N -1 3 369.852 3.214 20 0 FGADHM CCN1CCCC[C@H]1C[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000518973914 504107273 /nfs/dbraw/zinc/10/72/73/504107273.db2.gz MDHZFPVJTSEBFG-LBPRGKRZSA-N -1 3 365.326 3.455 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-][C@@H](c2nccn2C)c2ccc(Cl)cc2)o1 ZINC000538004736 504110084 /nfs/dbraw/zinc/11/00/84/504110084.db2.gz QTHOPXUUKCVFQA-OAHLLOKOSA-N -1 3 365.842 3.043 20 0 FGADHM C[C@]1([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)CCO[C@H]1C1CC1 ZINC000541387160 504112736 /nfs/dbraw/zinc/11/27/36/504112736.db2.gz 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ZINC000547516414 504134008 /nfs/dbraw/zinc/13/40/08/504134008.db2.gz ISATXOGSLHJBLM-UHFFFAOYSA-N -1 3 369.252 3.354 20 0 FGADHM C[C@@H]1CCCN1C(=O)c1ccc(-c2nc3ccc(F)cc3c(=O)[n-]2)cc1 ZINC000530937432 504134837 /nfs/dbraw/zinc/13/48/37/504134837.db2.gz FZZZMNDREGBFFO-GFCCVEGCSA-N -1 3 351.381 3.354 20 0 FGADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CC[C@@H]1C1CC1 ZINC000519083057 504136124 /nfs/dbraw/zinc/13/61/24/504136124.db2.gz UIMQLUPCFXUSST-WOJBJXKFSA-N -1 3 364.445 3.264 20 0 FGADHM CC[C@H](CSC)[N-]S(=O)(=O)c1c2ccccc2sc1C(=O)OC ZINC000538121732 504136146 /nfs/dbraw/zinc/13/61/46/504136146.db2.gz HEHIQXMJVJJUDV-SNVBAGLBSA-N -1 3 373.521 3.108 20 0 FGADHM CC(C)c1c(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)cnn1-c1ccccc1 ZINC000519099494 504139314 /nfs/dbraw/zinc/13/93/14/504139314.db2.gz XAWVFCFSPJXTHH-UHFFFAOYSA-N -1 3 373.420 3.428 20 0 FGADHM CC(C)c1c(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)cnn1-c1ccccc1 ZINC000519099494 504139317 /nfs/dbraw/zinc/13/93/17/504139317.db2.gz XAWVFCFSPJXTHH-UHFFFAOYSA-N -1 3 373.420 3.428 20 0 FGADHM CCc1cccc(C(=O)N2CCCN(C(=O)c3ccc(F)cc3)CC2)c1[O-] ZINC000530955168 504142179 /nfs/dbraw/zinc/14/21/79/504142179.db2.gz KTLOXHINTLVLLP-UHFFFAOYSA-N -1 3 370.424 3.082 20 0 FGADHM COc1cc(CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)ccn1 ZINC000534481674 504154278 /nfs/dbraw/zinc/15/42/78/504154278.db2.gz IXJUJOYWLWZCHO-UHFFFAOYSA-N -1 3 365.418 3.217 20 0 FGADHM CCOc1ccc(NC(=O)c2c[n-]c3cc(OC)ccc3c2=O)cc1OC ZINC000519177460 504158245 /nfs/dbraw/zinc/15/82/45/504158245.db2.gz UMNOEJJQQNDXOV-UHFFFAOYSA-N -1 3 368.389 3.196 20 0 FGADHM CCOc1ccc(NC(=O)c2cnc3cc(OC)ccc3c2[O-])cc1OC ZINC000519177460 504158248 /nfs/dbraw/zinc/15/82/48/504158248.db2.gz UMNOEJJQQNDXOV-UHFFFAOYSA-N -1 3 368.389 3.196 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)NCCCNc3ccccc3F)c[n-]c12 ZINC000541526533 504163013 /nfs/dbraw/zinc/16/30/13/504163013.db2.gz AAKQRJHXNBRYSF-UHFFFAOYSA-N -1 3 371.387 3.347 20 0 FGADHM Cc1ncc(CNC(=O)C[C@H](C)c2ccc(Br)cc2)c(=O)[n-]1 ZINC000541529548 504164449 /nfs/dbraw/zinc/16/44/49/504164449.db2.gz KGMWBYUEMYQFBO-JTQLQIEISA-N -1 3 364.243 3.063 20 0 FGADHM COC[C@H]([N-]S(=O)(=O)c1cccc2c(C)ccnc21)c1ccc(C)o1 ZINC000547642900 504165416 /nfs/dbraw/zinc/16/54/16/504165416.db2.gz HUGUIQJSKFVIBI-HNNXBMFYSA-N -1 3 360.435 3.111 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(OCc3ccncc3)cc2)cc1 ZINC000519217312 504167159 /nfs/dbraw/zinc/16/71/59/504167159.db2.gz AGANHXWQWVBIOL-UHFFFAOYSA-N -1 3 370.430 3.470 20 0 FGADHM Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2ccc(Cl)c3ccccc32)o1 ZINC000519280386 504181371 /nfs/dbraw/zinc/18/13/71/504181371.db2.gz LYBQBGIGNDXSGG-SECBINFHSA-N -1 3 351.815 3.224 20 0 FGADHM O=C(c1cncc([O-])c1)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC000531118796 504195551 /nfs/dbraw/zinc/19/55/51/504195551.db2.gz FUAAZSBIDDZKKG-UHFFFAOYSA-N -1 3 365.477 3.448 20 0 FGADHM COc1ccc(CN(C)C)cc1[N-]S(=O)(=O)c1c(C)cc(C)cc1C ZINC000547712923 504196683 /nfs/dbraw/zinc/19/66/83/504196683.db2.gz TYUMZPFHFOFDDG-UHFFFAOYSA-N -1 3 362.495 3.483 20 0 FGADHM CCc1nccn1C[C@H]1CCCN1C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000541672421 504215540 /nfs/dbraw/zinc/21/55/40/504215540.db2.gz WUBPDMYKFJTXDY-MRXNPFEDSA-N -1 3 353.466 3.335 20 0 FGADHM C[C@H]1CCCC[C@@H]1c1noc(CCn2[n-]c(=O)c3ccccc3c2=O)n1 ZINC000544719455 504234379 /nfs/dbraw/zinc/23/43/79/504234379.db2.gz SFHFGIWDFVWZRV-STQMWFEESA-N -1 3 354.410 3.022 20 0 FGADHM O=C(c1ccc(S(=O)(=O)CC2CC2)cc1)N1CCCc2cccc([O-])c21 ZINC000519523368 504239301 /nfs/dbraw/zinc/23/93/01/504239301.db2.gz IYJXDIHNBMGDOE-UHFFFAOYSA-N -1 3 371.458 3.169 20 0 FGADHM COc1cc(=NC(=O)N2CCc3cc(Cl)cc(Cl)c3[C@@H]2C)[n-]n1C ZINC000547842442 504245184 /nfs/dbraw/zinc/24/51/84/504245184.db2.gz DVIIESIVIFQEEU-VIFPVBQESA-N -1 3 369.252 3.309 20 0 FGADHM Cc1ccccc1-c1cc(=NC(=O)c2cccc(OCC(F)F)n2)[nH][n-]1 ZINC000534815401 504249214 /nfs/dbraw/zinc/24/92/14/504249214.db2.gz ORMAGQSELFSUNI-UHFFFAOYSA-N -1 3 358.348 3.098 20 0 FGADHM Cn1nc(-c2ccncc2)cc1NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000541787545 504255168 /nfs/dbraw/zinc/25/51/68/504255168.db2.gz KCSYKILZBHYWHX-UHFFFAOYSA-N -1 3 364.405 3.154 20 0 FGADHM COc1ccc([O-])c(C(=O)N[C@@H]2CCN(C)[C@H]2c2ccc(Cl)cc2)c1 ZINC000534859983 504261073 /nfs/dbraw/zinc/26/10/73/504261073.db2.gz LIBNTQNGQNOYBF-AEFFLSMTSA-N -1 3 360.841 3.229 20 0 FGADHM COc1ccc([O-])c(C(=O)N[C@H]2CCN(C)[C@H]2c2ccc(Cl)cc2)c1 ZINC000534859989 504261353 /nfs/dbraw/zinc/26/13/53/504261353.db2.gz LIBNTQNGQNOYBF-WMZOPIPTSA-N -1 3 360.841 3.229 20 0 FGADHM O=S(=O)([N-][C@@H]1[C@H]2Cc3c(cccc3Cl)[C@@H]12)c1ccc(F)c(F)c1 ZINC000528550753 504268818 /nfs/dbraw/zinc/26/88/18/504268818.db2.gz DQTXSPZENSLNSF-IUIKQTSFSA-N -1 3 355.793 3.235 20 0 FGADHM Cc1cc(-c2nc(-c3ccc([C@]4(C)NC(=O)[N-]C4=O)cc3)no2)sc1C ZINC000544915747 504298450 /nfs/dbraw/zinc/29/84/50/504298450.db2.gz RHNWXMMEZQMTFD-SFHVURJKSA-N -1 3 368.418 3.137 20 0 FGADHM C[C@@H]1CCC[C@@H](Cc2nc(-c3ccc([C@]4(C)NC(=O)[N-]C4=O)cc3)no2)C1 ZINC000544915717 504298495 /nfs/dbraw/zinc/29/84/95/504298495.db2.gz QHKZXKBQAGLRJZ-IZDJOXEWSA-N -1 3 368.437 3.160 20 0 FGADHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1cc(C2CC2)nc2ccc(Cl)cc21 ZINC000531432442 504304319 /nfs/dbraw/zinc/30/43/19/504304319.db2.gz MMFQHJSPCPKTSV-ZDUSSCGKSA-N -1 3 370.840 3.007 20 0 FGADHM CCc1cccc(C(=O)N2CC[C@@H](CN(CC)CC(F)(F)F)C2)c1[O-] ZINC000531436601 504305835 /nfs/dbraw/zinc/30/58/35/504305835.db2.gz TUPSONCOBWKPIJ-ZDUSSCGKSA-N -1 3 358.404 3.301 20 0 FGADHM C[C@H](C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)N1CCCC1 ZINC000548042656 504307579 /nfs/dbraw/zinc/30/75/79/504307579.db2.gz CITVOVWMZGBTNA-SNVBAGLBSA-N -1 3 370.824 3.121 20 0 FGADHM C[C@H]1C[C@@H](CNC(=O)c2ccc(C(=O)c3cccc([O-])c3)cc2)CCO1 ZINC000548047156 504309901 /nfs/dbraw/zinc/30/99/01/504309901.db2.gz QZINXXWDPDHISU-GJZGRUSLSA-N -1 3 353.418 3.168 20 0 FGADHM C[C@]1(c2ccc(NC(=O)c3ccc4sccc4c3)cc2)NC(=O)[N-]C1=O ZINC000531599034 504358971 /nfs/dbraw/zinc/35/89/71/504358971.db2.gz SFLHCPAGUKYSOM-LJQANCHMSA-N -1 3 365.414 3.208 20 0 FGADHM COc1cc(C(=O)NCC2(Cc3ccc(F)cc3)CC2)cc(OC)c1[O-] ZINC000545134336 504369061 /nfs/dbraw/zinc/36/90/61/504369061.db2.gz PSCURDJRIFVTNP-UHFFFAOYSA-N -1 3 359.397 3.301 20 0 FGADHM [O-]c1ccc(CNc2ncnc3cc(F)c(Br)cc32)cc1F ZINC000545164687 504380908 /nfs/dbraw/zinc/38/09/08/504380908.db2.gz CGPJLTFAYOHJRY-UHFFFAOYSA-N -1 3 366.165 3.410 20 0 FGADHM CCOC(=O)c1c(C(C)C)csc1[N-]C(=O)C(=O)N1CC=C(C)CC1 ZINC000535273775 504389043 /nfs/dbraw/zinc/38/90/43/504389043.db2.gz XQYQXUGGPOBHFU-UHFFFAOYSA-N -1 3 364.467 3.165 20 0 FGADHM C[C@H](c1c(F)cccc1F)N(C)C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000519958580 504389731 /nfs/dbraw/zinc/38/97/31/504389731.db2.gz BXSUVFICOSTOJS-SECBINFHSA-N -1 3 359.332 3.073 20 0 FGADHM CO[C@@H](c1ccc(F)cc1)[C@@H](C)[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000538845241 504391112 /nfs/dbraw/zinc/39/11/12/504391112.db2.gz RFPGJTFANINDTD-QLJPJBMISA-N -1 3 359.369 3.158 20 0 FGADHM O=C(NCCCNC(=O)c1cccc([O-])c1)c1ccc(-c2cccs2)o1 ZINC000542171251 504391303 /nfs/dbraw/zinc/39/13/03/504391303.db2.gz YVDJEJRZPAUEEP-UHFFFAOYSA-N -1 3 370.430 3.264 20 0 FGADHM CCn1cc(S(=O)(=O)[N-]Cc2cc(Cl)sc2Cl)nc1C ZINC000538850834 504392727 /nfs/dbraw/zinc/39/27/27/504392727.db2.gz FAXJJTSLMFDHFS-UHFFFAOYSA-N -1 3 354.284 3.058 20 0 FGADHM O=S(=O)([N-]Cc1cccc(F)c1)c1cccc(Br)c1F ZINC000542175671 504393562 /nfs/dbraw/zinc/39/35/62/504393562.db2.gz HMKZUSHKFSCYNA-UHFFFAOYSA-N -1 3 362.195 3.206 20 0 FGADHM Cc1ncc(CNC(=O)N[C@H]2c3ccccc3CC[C@@H]2C(C)C)c(=O)[n-]1 ZINC000545204828 504395129 /nfs/dbraw/zinc/39/51/29/504395129.db2.gz LFJWUQFVAXQZEK-SJLPKXTDSA-N -1 3 354.454 3.250 20 0 FGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@H]1CCCc2c[nH]nc21 ZINC000531701091 504396670 /nfs/dbraw/zinc/39/66/70/504396670.db2.gz MLZZOPJWQLNKES-ZDUSSCGKSA-N -1 3 365.842 3.474 20 0 FGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@@H]1CCCc2c[nH]nc21 ZINC000531701090 504397121 /nfs/dbraw/zinc/39/71/21/504397121.db2.gz MLZZOPJWQLNKES-CYBMUJFWSA-N -1 3 365.842 3.474 20 0 FGADHM 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COc1cc(Br)c(C=Cc2nc(C)cc(=O)[n-]2)c(OC)c1 ZINC000549629185 504863421 /nfs/dbraw/zinc/86/34/21/504863421.db2.gz VMXOVTSHBFLFOL-PLNGDYQASA-N -1 3 351.200 3.441 20 0 FGADHM COc1cc(Br)c(C=Cc2nc(C)cc(=O)[n-]2)c(OC)c1 ZINC000549629186 504863517 /nfs/dbraw/zinc/86/35/17/504863517.db2.gz VMXOVTSHBFLFOL-SNAWJCMRSA-N -1 3 351.200 3.441 20 0 FGADHM Cc1ccc([C@H]2CSCCN2C(=O)c2cc(F)cc3[n-]nnc32)cc1 ZINC000559478347 504871347 /nfs/dbraw/zinc/87/13/47/504871347.db2.gz IFPXEEMRYDRJEL-MRXNPFEDSA-N -1 3 356.426 3.336 20 0 FGADHM Cc1ccc([C@H]2CSCCN2C(=O)c2cc(F)cc3nn[n-]c32)cc1 ZINC000559478347 504871349 /nfs/dbraw/zinc/87/13/49/504871349.db2.gz IFPXEEMRYDRJEL-MRXNPFEDSA-N -1 3 356.426 3.336 20 0 FGADHM Cc1ccc([C@H]2CSCCN2C(=O)c2cc(F)cc3n[n-]nc32)cc1 ZINC000559478347 504871352 /nfs/dbraw/zinc/87/13/52/504871352.db2.gz IFPXEEMRYDRJEL-MRXNPFEDSA-N -1 3 356.426 3.336 20 0 FGADHM COC(=O)c1nc[n-]c1NC(=O)[C@H](C)Oc1ccc(-c2ccccc2)cc1 ZINC000549693919 504874856 /nfs/dbraw/zinc/87/48/56/504874856.db2.gz 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CCC[C@@H]1CCCC[C@@H]1CNC(=O)c1cccc([C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000556690297 504941895 /nfs/dbraw/zinc/94/18/95/504941895.db2.gz QRFBXKRAKDLCFO-NVAPDCRFSA-N -1 3 371.481 3.078 20 0 FGADHM Cc1ccc(Cl)c2ccc(N3CCC[C@@H]3C[C@]3(C)NC(=O)[N-]C3=O)nc12 ZINC000553636046 504968864 /nfs/dbraw/zinc/96/88/64/504968864.db2.gz VPYHAHMVVYYAMW-BLVKFPJESA-N -1 3 372.856 3.154 20 0 FGADHM Cc1c(S(=O)(=O)[N-]c2cc3[nH]ncc3c(C)c2)c2ccccc2n1C ZINC000560009703 504969663 /nfs/dbraw/zinc/96/96/63/504969663.db2.gz OBKKTXSYHQHQDK-UHFFFAOYSA-N -1 3 354.435 3.472 20 0 FGADHM O=S(=O)([N-]C1CCN(CC2CCCC2)CC1)c1cc(Cl)ccc1F ZINC000560041871 504976896 /nfs/dbraw/zinc/97/68/96/504976896.db2.gz HXKJGKIPLGXBFB-UHFFFAOYSA-N -1 3 374.909 3.412 20 0 FGADHM CN(C)C(=O)c1cc(NC(=O)c2cc(C(F)(F)F)n[n-]2)ccc1Cl ZINC000550150787 504979288 /nfs/dbraw/zinc/97/92/88/504979288.db2.gz ZDNMMSDBDVYWJW-UHFFFAOYSA-N -1 3 360.723 3.036 20 0 FGADHM CN(C)C(=O)c1cc(NC(=O)c2cc(C(F)(F)F)[n-]n2)ccc1Cl ZINC000550150787 504979290 /nfs/dbraw/zinc/97/92/90/504979290.db2.gz ZDNMMSDBDVYWJW-UHFFFAOYSA-N -1 3 360.723 3.036 20 0 FGADHM COc1cccc(-c2nc(CN[C@H](C)[C@H](C)C(=O)[O-])cs2)c1OC ZINC000565837926 505002806 /nfs/dbraw/zinc/00/28/06/505002806.db2.gz IWYGDBPTWDXVIP-WDEREUQCSA-N -1 3 350.440 3.026 20 0 FGADHM COc1ncc(C(=O)N=c2cc(-c3cc(F)cc(F)c3)[n-][nH]2)cc1Cl ZINC000556898459 505010275 /nfs/dbraw/zinc/01/02/75/505010275.db2.gz KZZFWYAZIMIMHJ-UHFFFAOYSA-N -1 3 364.739 3.086 20 0 FGADHM CCO[C@@H](C[N-]S(=O)(=O)c1cccnc1C(F)(F)F)c1ccccc1 ZINC000553882308 505031861 /nfs/dbraw/zinc/03/18/61/505031861.db2.gz SKAVHQNXRPKJKJ-ZDUSSCGKSA-N -1 3 374.384 3.157 20 0 FGADHM C[C@H]1Oc2cc(F)ccc2[C@@H]1[N-]S(=O)(=O)c1ccc2ncccc2c1 ZINC000553908787 505039256 /nfs/dbraw/zinc/03/92/56/505039256.db2.gz CSUUUHZCFLDXGN-ADLMAVQZSA-N -1 3 358.394 3.174 20 0 FGADHM O=C([O-])c1cnn(C2CCN(Cc3ccc(OC(F)F)cc3)CC2)c1 ZINC000566014988 505056204 /nfs/dbraw/zinc/05/62/04/505056204.db2.gz CTIDQQGPNASBRQ-UHFFFAOYSA-N -1 3 351.353 3.020 20 0 FGADHM C[N-]S(=O)(=O)c1cc(NC(=O)c2ccc3ccccc3c2)ccc1F ZINC000557066380 505057609 /nfs/dbraw/zinc/05/76/09/505057609.db2.gz FZJCWERPQCJAKV-UHFFFAOYSA-N -1 3 358.394 3.139 20 0 FGADHM O=C1[N-]C(=O)c2cc(NCc3ccc(OC(F)F)c(Cl)c3)ccc21 ZINC000566024459 505058758 /nfs/dbraw/zinc/05/87/58/505058758.db2.gz WTPGIQQESJNSLP-UHFFFAOYSA-N -1 3 352.724 3.437 20 0 FGADHM C[C@H](NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)c1ccc(F)c2ccccc21 ZINC000566031003 505059160 /nfs/dbraw/zinc/05/91/60/505059160.db2.gz RMADYKQZRYPVNP-NSHDSACASA-N -1 3 362.360 3.354 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)c1nc2c(s1)CCC2 ZINC000557095522 505063921 /nfs/dbraw/zinc/06/39/21/505063921.db2.gz BHCSOWNTLGNPNY-SSDOTTSWSA-N -1 3 362.398 3.089 20 0 FGADHM C[C@@](O)(C1CCN(C(=O)c2cc([O-])ccc2Cl)CC1)C(F)(F)F ZINC000560377059 505064371 /nfs/dbraw/zinc/06/43/71/505064371.db2.gz LHICWPAMEMBZBQ-CQSZACIVSA-N -1 3 351.752 3.211 20 0 FGADHM C[C@@H]1CCCc2nc(S(=O)(=O)[N-]Cc3ccc(C(F)F)cc3)cn21 ZINC000557110834 505068029 /nfs/dbraw/zinc/06/80/29/505068029.db2.gz QABYZNNWTTVOFW-LLVKDONJSA-N -1 3 355.410 3.197 20 0 FGADHM Cc1cc(C)c2ncc(C(=O)[O-])c(NCCCN(C)CC(F)(F)F)c2c1 ZINC000563205280 505075913 /nfs/dbraw/zinc/07/59/13/505075913.db2.gz BUNDRMKVQAFPJS-UHFFFAOYSA-N -1 3 369.387 3.268 20 0 FGADHM O=C(Nc1c([O-])cccc1Cl)c1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000557184285 505087658 /nfs/dbraw/zinc/08/76/58/505087658.db2.gz XUMXFVUTYFVZTE-HNNXBMFYSA-N -1 3 360.797 3.415 20 0 FGADHM CCn1c(CN(C)[C@H](Cc2ccccc2)C(=O)[O-])nc2cc(F)ccc21 ZINC000563282636 505096411 /nfs/dbraw/zinc/09/64/11/505096411.db2.gz JQCOTNFCQZSLQF-GOSISDBHSA-N -1 3 355.413 3.323 20 0 FGADHM Cc1ccc2[n-]cc(C(=O)N3CCC[C@@H]3[C@@H]3CCCCC3=O)c(=O)c2c1 ZINC000557426343 505131757 /nfs/dbraw/zinc/13/17/57/505131757.db2.gz YHEQUMLEWFWXOY-KBXCAEBGSA-N -1 3 352.434 3.200 20 0 FGADHM Cc1nc(C)c(CC(=O)NC2(c3cccc(C(F)(F)F)c3)CC2)c(=O)[n-]1 ZINC000550974589 505134521 /nfs/dbraw/zinc/13/45/21/505134521.db2.gz VEFLTSAAZFGPBG-UHFFFAOYSA-N -1 3 365.355 3.166 20 0 FGADHM CCOc1cc2nccc(N3C[C@H](OC)C[C@@H]3CC(=O)[O-])c2cc1OCC ZINC000566296626 505137529 /nfs/dbraw/zinc/13/75/29/505137529.db2.gz FAFQEVQAJSTZRH-ZIAGYGMSSA-N -1 3 374.437 3.101 20 0 FGADHM Cc1oc(C2CC2)nc1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000560610367 505142456 /nfs/dbraw/zinc/14/24/56/505142456.db2.gz XPPAGCSXLWLKFQ-UHFFFAOYSA-N -1 3 351.200 3.259 20 0 FGADHM CCOC(=O)c1cc([N-]S(=O)(=O)c2cccc(C)c2)c(F)cc1C ZINC000551015149 505143179 /nfs/dbraw/zinc/14/31/79/505143179.db2.gz OXHIVABNGYNOCS-UHFFFAOYSA-N -1 3 351.399 3.420 20 0 FGADHM CC[C@H](C)Oc1cc(C(=O)Nc2n[n-]c(-c3ccccc3F)n2)ccn1 ZINC000554338025 505148817 /nfs/dbraw/zinc/14/88/17/505148817.db2.gz JBBOIUUFHFVQBK-NSHDSACASA-N -1 3 355.373 3.435 20 0 FGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)c2cnc3c(F)cccc3c2)c1 ZINC000551093049 505155732 /nfs/dbraw/zinc/15/57/32/505155732.db2.gz HFURWNIJVYXQEK-UHFFFAOYSA-N -1 3 373.409 3.306 20 0 FGADHM CC[C@@H](C)c1nc([C@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2F)n[nH]1 ZINC000551173388 505170627 /nfs/dbraw/zinc/17/06/27/505170627.db2.gz YDESPNZYVDBUDL-BDAKNGLRSA-N -1 3 360.842 3.150 20 0 FGADHM CC[C@H]1CCCC[C@H]1c1noc(-c2cc(S(=O)(=O)[N-]C)oc2C)n1 ZINC000551183305 505173296 /nfs/dbraw/zinc/17/32/96/505173296.db2.gz IICKQMBDYFEKAI-NWDGAFQWSA-N -1 3 353.444 3.230 20 0 FGADHM COc1ccccc1C[C@H]1CCCN1C(=O)N=c1cc2ccccn2[n-]1 ZINC000554441244 505175420 /nfs/dbraw/zinc/17/54/20/505175420.db2.gz FFTPPRJEWRPMBB-MRXNPFEDSA-N -1 3 350.422 3.004 20 0 FGADHM O=C(N=c1cc2ccccn2[n-]1)N1CC[C@@H](OCCCc2ccccc2)C1 ZINC000554444069 505175986 /nfs/dbraw/zinc/17/59/86/505175986.db2.gz GXIMDTKEXCQIFS-LJQANCHMSA-N -1 3 364.449 3.012 20 0 FGADHM Cc1ccc(C(C)(C)NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)cn1 ZINC000557610436 505181221 /nfs/dbraw/zinc/18/12/21/505181221.db2.gz CDIOLTWDJQFJQM-UHFFFAOYSA-N -1 3 353.397 3.344 20 0 FGADHM Cc1ccc2[n-]cc(C(=O)N3CCC(Cc4cccnc4)CC3)c(=O)c2c1 ZINC000557616158 505183472 /nfs/dbraw/zinc/18/34/72/505183472.db2.gz KKGXRYRCHPJPHW-UHFFFAOYSA-N -1 3 361.445 3.326 20 0 FGADHM Cc1ccccc1-c1nnc(SCc2cc(=O)[n-]c(C3CC3)n2)n1C ZINC000560779384 505184046 /nfs/dbraw/zinc/18/40/46/505184046.db2.gz RRIWSJKASJHKNT-UHFFFAOYSA-N -1 3 353.451 3.456 20 0 FGADHM CCC[C@@H](NC(=O)c1c[n-]c2ccncc2c1=O)c1ccc(F)cc1F ZINC000557650205 505192859 /nfs/dbraw/zinc/19/28/59/505192859.db2.gz QNCQIJWJQURPTD-QGZVFWFLSA-N -1 3 357.360 3.473 20 0 FGADHM CCCCN1CCc2ccc(NC(=O)c3cc(=O)[n-]c(C4CC4)n3)cc21 ZINC000557647468 505192999 /nfs/dbraw/zinc/19/29/99/505192999.db2.gz NABPKCPYBFUHJF-UHFFFAOYSA-N -1 3 352.438 3.475 20 0 FGADHM COc1cccc([C@H]2[C@H](NC(=O)c3ccc([O-])c(C)c3)CCN2C2CC2)c1 ZINC000557717094 505212566 /nfs/dbraw/zinc/21/25/66/505212566.db2.gz KRTSRZPGHMRTQY-CTNGQTDRSA-N -1 3 366.461 3.417 20 0 FGADHM Cc1nn(-c2ccc(Br)cc2)cc1CNC1(C(=O)[O-])CCC1 ZINC000551421190 505222244 /nfs/dbraw/zinc/22/22/44/505222244.db2.gz YUBHUGNDWVVTHS-UHFFFAOYSA-N -1 3 364.243 3.040 20 0 FGADHM CCc1nc2c(s1)[C@@H](N(C)C(=O)c1cc(=O)[n-]c(C3CC3)n1)CCC2 ZINC000563726312 505222675 /nfs/dbraw/zinc/22/26/75/505222675.db2.gz NKIMFSMTLNGVBL-ZDUSSCGKSA-N -1 3 358.467 3.228 20 0 FGADHM COc1ccncc1CSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000557757769 505223341 /nfs/dbraw/zinc/22/33/41/505223341.db2.gz CHESYHNVSGBWLV-UHFFFAOYSA-N -1 3 365.418 3.217 20 0 FGADHM Brc1cccc(-c2nnc(-c3noc(Cc4ccco4)n3)[n-]2)c1 ZINC000551434973 505225822 /nfs/dbraw/zinc/22/58/22/505225822.db2.gz MZWOYPWQQLBFNP-UHFFFAOYSA-N -1 3 372.182 3.468 20 0 FGADHM Brc1cccc(-c2n[n-]c(-c3noc(Cc4ccco4)n3)n2)c1 ZINC000551434973 505225826 /nfs/dbraw/zinc/22/58/26/505225826.db2.gz MZWOYPWQQLBFNP-UHFFFAOYSA-N -1 3 372.182 3.468 20 0 FGADHM Brc1cccc(-c2nc(-c3noc(Cc4ccco4)n3)n[n-]2)c1 ZINC000551434973 505225827 /nfs/dbraw/zinc/22/58/27/505225827.db2.gz MZWOYPWQQLBFNP-UHFFFAOYSA-N -1 3 372.182 3.468 20 0 FGADHM CCOc1cc(C)ccc1C[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000557787170 505231118 /nfs/dbraw/zinc/23/11/18/505231118.db2.gz RCZZERHOYLIHHK-UHFFFAOYSA-N -1 3 374.384 3.286 20 0 FGADHM COc1ccc(N(C)C(=O)c2c[n-]c3ccc(C)cc3c2=O)cc1OC ZINC000561084122 505247057 /nfs/dbraw/zinc/24/70/57/505247057.db2.gz MGLSAGRALPXMCD-UHFFFAOYSA-N -1 3 352.390 3.130 20 0 FGADHM O=C(N=c1cc2ccccn2[n-]1)c1cc(Br)cc2cccnc21 ZINC000561155721 505266469 /nfs/dbraw/zinc/26/64/69/505266469.db2.gz VHWUEBONKRCERB-UHFFFAOYSA-N -1 3 367.206 3.319 20 0 FGADHM O=C(Nc1ccc(C2CCC2)cn1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000557941093 505267984 /nfs/dbraw/zinc/26/79/84/505267984.db2.gz SOGQUKARIAJLOX-QGZVFWFLSA-N -1 3 365.433 3.298 20 0 FGADHM CC[C@H]1CCc2nc(NC(=O)c3c[n-]c4ccncc4c3=O)sc2C1 ZINC000561160624 505268211 /nfs/dbraw/zinc/26/82/11/505268211.db2.gz XEEYACKJKMMXQJ-JTQLQIEISA-N -1 3 354.435 3.147 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)COc3ccsc3Cl)[n-]c21 ZINC000551645396 505273057 /nfs/dbraw/zinc/27/30/57/505273057.db2.gz LNZPOFYZUVEGKJ-UHFFFAOYSA-N -1 3 365.798 3.082 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)COc3ccsc3Cl)nc21 ZINC000551645396 505273060 /nfs/dbraw/zinc/27/30/60/505273060.db2.gz LNZPOFYZUVEGKJ-UHFFFAOYSA-N -1 3 365.798 3.082 20 0 FGADHM O=c1ccc([N-]S(=O)(=O)c2cccc(Cl)c2Br)c[nH]1 ZINC000563924065 505277364 /nfs/dbraw/zinc/27/73/64/505277364.db2.gz SMLFBKVKOASFJZ-UHFFFAOYSA-N -1 3 363.620 3.004 20 0 FGADHM COc1ccc([O-])c(C(=O)NCc2c(Cl)cccc2-n2ccnc2)c1 ZINC000566827128 505282618 /nfs/dbraw/zinc/28/26/18/505282618.db2.gz YAOMRZCPBKHJSG-UHFFFAOYSA-N -1 3 357.797 3.170 20 0 FGADHM Cn1cc(-c2noc(-c3n[n-]c(-c4ccccc4)c3Br)n2)cn1 ZINC000558012264 505284133 /nfs/dbraw/zinc/28/41/33/505284133.db2.gz OOZVOWNLCZXNHP-UHFFFAOYSA-N -1 3 371.198 3.290 20 0 FGADHM Cn1cc(-c2noc(-c3[n-]nc(-c4ccccc4)c3Br)n2)cn1 ZINC000558012264 505284137 /nfs/dbraw/zinc/28/41/37/505284137.db2.gz OOZVOWNLCZXNHP-UHFFFAOYSA-N -1 3 371.198 3.290 20 0 FGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]C1CC(C(C)(C)C)C1 ZINC000566843853 505288805 /nfs/dbraw/zinc/28/88/05/505288805.db2.gz FZGQBVBPBPYIFO-UHFFFAOYSA-N -1 3 359.875 3.230 20 0 FGADHM O=C(CSCc1cc(=O)[n-]c(C2CC2)n1)N[C@@H]1CCCc2ccccc21 ZINC000561245967 505292110 /nfs/dbraw/zinc/29/21/10/505292110.db2.gz OOXZVLOVTBHJLE-QGZVFWFLSA-N -1 3 369.490 3.487 20 0 FGADHM COc1cc(C(=O)N2CCC(n3c(C)ccc3C)CC2)cc(OC)c1[O-] ZINC000551726261 505293566 /nfs/dbraw/zinc/29/35/66/505293566.db2.gz DINNUKFFYQAGPN-UHFFFAOYSA-N -1 3 358.438 3.305 20 0 FGADHM CC(=O)c1cccc(NC(=O)[C@H]2CCO[C@@H]2c2ccnn2C(C)C)c1[O-] ZINC000558065968 505300145 /nfs/dbraw/zinc/30/01/45/505300145.db2.gz PMSYDIDEMOAGSJ-KSSFIOAISA-N -1 3 357.410 3.089 20 0 FGADHM C[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000561317861 505312866 /nfs/dbraw/zinc/31/28/66/505312866.db2.gz WRHBCYRHTMLFIP-JTQLQIEISA-N -1 3 365.355 3.439 20 0 FGADHM CCCN(CC)C[C@@H](C)[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000554963598 505313203 /nfs/dbraw/zinc/31/32/03/505313203.db2.gz GCVTTZGPYWYXPI-SNVBAGLBSA-N -1 3 354.850 3.017 20 0 FGADHM Cc1ccc2c(CN[C@H](C)c3noc(COC(C)C)n3)ccc([O-])c2n1 ZINC000554973468 505316572 /nfs/dbraw/zinc/31/65/72/505316572.db2.gz WBHNIRFBUNEYFH-CYBMUJFWSA-N -1 3 356.426 3.408 20 0 FGADHM Cc1ccc2c(CN[C@@H](C)c3noc(COC(C)C)n3)ccc([O-])c2n1 ZINC000554973469 505316670 /nfs/dbraw/zinc/31/66/70/505316670.db2.gz WBHNIRFBUNEYFH-ZDUSSCGKSA-N -1 3 356.426 3.408 20 0 FGADHM CCN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2c(C)cccc2F)c1 ZINC000558135503 505317357 /nfs/dbraw/zinc/31/73/57/505317357.db2.gz OHNLBPZQHYKZHZ-UHFFFAOYSA-N -1 3 350.415 3.027 20 0 FGADHM Cn1[n-]c(=NC(=O)CCSc2cccc(Cl)c2)cc1OC(F)F ZINC000558159158 505322838 /nfs/dbraw/zinc/32/28/38/505322838.db2.gz LKYMDTBCKWXBMV-UHFFFAOYSA-N -1 3 361.801 3.218 20 0 FGADHM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C(F)F)c2Cl)c[nH]1 ZINC000561398028 505335916 /nfs/dbraw/zinc/33/59/16/505335916.db2.gz MMXHIVIKXHLLBT-UHFFFAOYSA-N -1 3 364.757 3.193 20 0 FGADHM C[C@H]1C[C@H]1c1ccc(C[N-]S(=O)(=O)c2cccnc2C(F)(F)F)o1 ZINC000561495610 505361124 /nfs/dbraw/zinc/36/11/24/505361124.db2.gz GZWFGKTWKFVNNX-GXSJLCMTSA-N -1 3 360.357 3.295 20 0 FGADHM COc1cccc(C(=O)N(Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)c1[O-] ZINC000567098988 505363489 /nfs/dbraw/zinc/36/34/89/505363489.db2.gz KFMYNQVEHXAMBX-UONOGXRCSA-N -1 3 359.447 3.042 20 0 FGADHM O=S(=O)([N-]CCCc1ccccc1F)c1cccnc1C(F)(F)F ZINC000561528930 505369435 /nfs/dbraw/zinc/36/94/35/505369435.db2.gz SRELUAQRNFVZLP-UHFFFAOYSA-N -1 3 362.348 3.151 20 0 FGADHM COCc1nc(Cc2noc(Cc3ccc([O-])cc3Cl)n2)cs1 ZINC000564289648 505372746 /nfs/dbraw/zinc/37/27/46/505372746.db2.gz ATDYPZTYHSQGKK-UHFFFAOYSA-N -1 3 351.815 3.213 20 0 FGADHM COc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2c3ccc(F)cc3O[C@@H]2C)c1 ZINC000561556873 505376796 /nfs/dbraw/zinc/37/67/96/505376796.db2.gz XYEBOQVZDFLERF-ABKXIKBNSA-N -1 3 371.817 3.288 20 0 FGADHM Cc1ccccc1[C@H]([C@@H](C)N=c1[n-]nc(C2CCOCC2)s1)N(C)C ZINC000555208368 505379790 /nfs/dbraw/zinc/37/97/90/505379790.db2.gz HJLRLYJAYLQOTA-PBHICJAKSA-N -1 3 360.527 3.266 20 0 FGADHM Cc1ccc(Cl)cc1N(C)C(=O)CC[N-]S(=O)(=O)c1cccs1 ZINC000561598267 505387302 /nfs/dbraw/zinc/38/73/02/505387302.db2.gz KTFLBPDYCFIULE-UHFFFAOYSA-N -1 3 372.899 3.041 20 0 FGADHM O=C(N[C@H]1CCN(c2cccc(Cl)c2)C1)c1c[n-]nc1-c1ccccn1 ZINC000567215590 505396828 /nfs/dbraw/zinc/39/68/28/505396828.db2.gz RDXLOPKQVWJVDW-AWEZNQCLSA-N -1 3 367.840 3.134 20 0 FGADHM CC[C@@H](C[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1)OC ZINC000558480646 505403554 /nfs/dbraw/zinc/40/35/54/505403554.db2.gz MKQNQDVLRPHDOT-LBPRGKRZSA-N -1 3 360.888 3.167 20 0 FGADHM O=S(=O)([N-][C@@H](CO)C1CCCC1)c1c(Cl)ccc2ccccc21 ZINC000564405934 505410886 /nfs/dbraw/zinc/41/08/86/505410886.db2.gz KORDIRMKQQPTMQ-INIZCTEOSA-N -1 3 353.871 3.323 20 0 FGADHM COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)[N-][C@@H]1CCCC1(C)C ZINC000561717275 505416774 /nfs/dbraw/zinc/41/67/74/505416774.db2.gz XJDKLEPPIIDAFI-OAHLLOKOSA-N -1 3 374.890 3.164 20 0 FGADHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CCc2cc(Br)ccc2C1 ZINC000567287981 505418767 /nfs/dbraw/zinc/41/87/67/505418767.db2.gz ABWZRRTZTYTOFJ-UHFFFAOYSA-N -1 3 374.238 3.021 20 0 FGADHM CCc1noc(C)c1C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000555377680 505421163 /nfs/dbraw/zinc/42/11/63/505421163.db2.gz ZMKKRTCZNVGMAP-UHFFFAOYSA-N -1 3 366.336 3.182 20 0 FGADHM CCc1cc(=O)[n-]c(CSC[C@@H](O)Cn2cnc3cc(C)c(C)cc32)n1 ZINC000561743194 505424414 /nfs/dbraw/zinc/42/44/14/505424414.db2.gz MOPSZQUOUWNLCN-HNNXBMFYSA-N -1 3 372.494 3.005 20 0 FGADHM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-]C(C)(C)c1ccccc1C ZINC000555412576 505426186 /nfs/dbraw/zinc/42/61/86/505426186.db2.gz CJIQSPZXZPNUBF-UHFFFAOYSA-N -1 3 365.426 3.134 20 0 FGADHM CCOC(=O)c1nn(-c2ccccc2)cc1C=Cc1nc(C)cc(=O)[n-]1 ZINC000555464293 505437472 /nfs/dbraw/zinc/43/74/72/505437472.db2.gz VWQJFURPHRULTA-MDZDMXLPSA-N -1 3 350.378 3.023 20 0 FGADHM C[N-]S(=O)(=O)c1cc(NC(=O)c2cccc(C3CCC3)c2)ccc1F ZINC000552261770 505444459 /nfs/dbraw/zinc/44/44/59/505444459.db2.gz PEBWHPCOUXADIM-UHFFFAOYSA-N -1 3 362.426 3.254 20 0 FGADHM CC(=O)c1cccc(NC(=O)C2CCN(C(=O)c3ccccc3)CC2)c1[O-] ZINC000552285946 505451039 /nfs/dbraw/zinc/45/10/39/505451039.db2.gz GWMNJORPXJDHAW-UHFFFAOYSA-N -1 3 366.417 3.086 20 0 FGADHM CSc1ncc(Cl)c(C(=O)[N-]c2cc(-c3ccccc3F)on2)n1 ZINC000567452081 505467494 /nfs/dbraw/zinc/46/74/94/505467494.db2.gz FHNJXIISHXEBFG-UHFFFAOYSA-N -1 3 364.789 3.320 20 0 FGADHM CCN(CC)C(=O)c1cccc(NC(=O)c2[n-]nc3c2cccc3OC)c1 ZINC000567459491 505469987 /nfs/dbraw/zinc/46/99/87/505469987.db2.gz XKYBDUYJLPRWSQ-UHFFFAOYSA-N -1 3 366.421 3.306 20 0 FGADHM CCN(CC)C(=O)c1cccc(NC(=O)c2n[n-]c3c2cccc3OC)c1 ZINC000567459491 505469990 /nfs/dbraw/zinc/46/99/90/505469990.db2.gz XKYBDUYJLPRWSQ-UHFFFAOYSA-N -1 3 366.421 3.306 20 0 FGADHM O=S(=O)([N-][C@@H]([C@@H](CO)C1CC1)C1CC1)c1ccc(Cl)cc1Cl ZINC000564633795 505476825 /nfs/dbraw/zinc/47/68/25/505476825.db2.gz PWHOBGKBJFBBDW-SWLSCSKDSA-N -1 3 364.294 3.069 20 0 FGADHM Cc1ccc2c(CN[C@@]3(CO)CCOc4ccccc43)ccc([O-])c2n1 ZINC000558735138 505478330 /nfs/dbraw/zinc/47/83/30/505478330.db2.gz QIDXAUFEYRMGKQ-OAQYLSRUSA-N -1 3 350.418 3.009 20 0 FGADHM CCCc1nc(=NC(=O)N[C@@H](C)[C@@H](c2ccccc2C)N(C)C)s[n-]1 ZINC000562035748 505497130 /nfs/dbraw/zinc/49/71/30/505497130.db2.gz ONHWEPUYAMQPGB-BBRMVZONSA-N -1 3 361.515 3.034 20 0 FGADHM Cc1ccccc1CS(=O)(=O)[N-]c1cccc2c1OCC[C@H]2N(C)C ZINC000555783859 505513697 /nfs/dbraw/zinc/51/36/97/505513697.db2.gz JKKUTPPOZJMKJF-GOSISDBHSA-N -1 3 360.479 3.322 20 0 FGADHM CC(C)C[C@@H](c1nc(-c2ccc3n[n-]nc3c2)no1)N1CCCCC1=O ZINC000558891831 505522402 /nfs/dbraw/zinc/52/24/02/505522402.db2.gz KOTOVCMQPAGUFD-HNNXBMFYSA-N -1 3 354.414 3.108 20 0 FGADHM O=C(Cc1ccc(Br)cc1[O-])Nc1n[nH]c2ccc(F)cc21 ZINC000555842397 505525210 /nfs/dbraw/zinc/52/52/10/505525210.db2.gz GPXRAOCSZUXWBR-UHFFFAOYSA-N -1 3 364.174 3.351 20 0 FGADHM Cc1nc(C(C)C)ccc1C(=O)Nc1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000558931527 505532814 /nfs/dbraw/zinc/53/28/14/505532814.db2.gz DSFAPOXSSGRMLB-UHFFFAOYSA-N -1 3 365.430 3.276 20 0 FGADHM O=C(NC[C@H](OCC1CC1)c1ccc(Cl)cc1)c1csc(=O)[n-]1 ZINC000552679456 505533035 /nfs/dbraw/zinc/53/30/35/505533035.db2.gz FPQGSWLTEXUPQH-AWEZNQCLSA-N -1 3 352.843 3.400 20 0 FGADHM C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000559016109 505551715 /nfs/dbraw/zinc/55/17/15/505551715.db2.gz SEWGJCJCHMJPMP-RYUDHWBXSA-N -1 3 362.861 3.166 20 0 FGADHM CN(C)c1nc(C(=O)N2CCC[C@@H](CCCc3ccccc3)C2)cc(=O)[n-]1 ZINC000559018656 505552175 /nfs/dbraw/zinc/55/21/75/505552175.db2.gz YXGWJJZRTFRGCV-QGZVFWFLSA-N -1 3 368.481 3.123 20 0 FGADHM Cc1cccc(S(=O)(=O)[N-][C@H]2CCC[C@H](F)C2)c1Br ZINC000564908081 505555315 /nfs/dbraw/zinc/55/53/15/505555315.db2.gz QLVNCDYIQXKINQ-QWRGUYRKSA-N -1 3 350.253 3.317 20 0 FGADHM COc1ccc(Cn2cc(NC(=O)Cc3ccc([O-])cc3Cl)cn2)cc1 ZINC000552803513 505557862 /nfs/dbraw/zinc/55/78/62/505557862.db2.gz HJGLFQNDPVDDQV-UHFFFAOYSA-N -1 3 371.824 3.480 20 0 FGADHM Cn1cc(Br)c(=NC(=O)C2(Cc3ccc(Cl)cc3)CC2)[n-]1 ZINC000565001604 505566886 /nfs/dbraw/zinc/56/68/86/505566886.db2.gz AOUXCWUZBPUXSB-UHFFFAOYSA-N -1 3 368.662 3.219 20 0 FGADHM COc1ccc(C[S@](=O)Cc2cc(=O)[n-]c(C3CC3)n2)cc1Cl ZINC000582772751 506412238 /nfs/dbraw/zinc/41/22/38/506412238.db2.gz QWJBMDZYUHJYQC-QHCPKHFHSA-N -1 3 352.843 3.171 20 0 FGADHM COc1ccc(CNCCCC(=O)OC(C)(C)C)c(Br)c1[O-] ZINC000582816567 506433739 /nfs/dbraw/zinc/43/37/39/506433739.db2.gz RTLYWHBGMRGAOK-UHFFFAOYSA-N -1 3 374.275 3.375 20 0 FGADHM CC(C)[C@H](SCCc1nnn[n-]1)C(=O)Nc1ccccc1C(F)(F)F ZINC000603340935 506488968 /nfs/dbraw/zinc/48/89/68/506488968.db2.gz ZVVFELSQMPOIOM-ZDUSSCGKSA-N -1 3 373.404 3.158 20 0 FGADHM CC(C)[C@H](SCCc1nn[n-]n1)C(=O)Nc1ccccc1C(F)(F)F ZINC000603340935 506488973 /nfs/dbraw/zinc/48/89/73/506488973.db2.gz ZVVFELSQMPOIOM-ZDUSSCGKSA-N -1 3 373.404 3.158 20 0 FGADHM CC(C)N1CCN(c2ccc(C(=O)Nc3c([O-])cccc3F)cc2)CC1 ZINC000608366766 506529455 /nfs/dbraw/zinc/52/94/55/506529455.db2.gz YCMPODIQTINIFB-UHFFFAOYSA-N -1 3 357.429 3.314 20 0 FGADHM COC(=O)c1cc(C)sc1[N-]C(=O)c1cnc([C@H]2CCCO2)s1 ZINC000593327263 506544914 /nfs/dbraw/zinc/54/49/14/506544914.db2.gz IOWXTVKGUXWLQX-SNVBAGLBSA-N -1 3 352.437 3.403 20 0 FGADHM COc1cccc(S(=O)(=O)[N-]c2ccc3nc([C@H]4CCCO4)[nH]c3c2)c1 ZINC000589435552 506548426 /nfs/dbraw/zinc/54/84/26/506548426.db2.gz AULYSYTVYPKZMI-QGZVFWFLSA-N -1 3 373.434 3.224 20 0 FGADHM CC1(C)Cc2ccc(C(=O)NC[C@@H]3OCCc4ccccc43)c([O-])c2O1 ZINC000603550518 506552409 /nfs/dbraw/zinc/55/24/09/506552409.db2.gz LGDYDGZHQZBRRS-KRWDZBQOSA-N -1 3 353.418 3.150 20 0 FGADHM O=C(Nc1n[n-]c(-c2ccccc2F)n1)[C@@H]1COCC[C@@H]1c1ccccc1 ZINC000583074879 506576281 /nfs/dbraw/zinc/57/62/81/506576281.db2.gz RRFYOIBKCNRKNZ-GDBMZVCRSA-N -1 3 366.396 3.370 20 0 FGADHM COC(=O)c1cc([N-]S(=O)(=O)CCC(C)(C)C)cc(Cl)c1F ZINC000589556150 506585693 /nfs/dbraw/zinc/58/56/93/506585693.db2.gz YBVBYVGQUBDWMT-UHFFFAOYSA-N -1 3 351.827 3.444 20 0 FGADHM COC(=O)[C@@H]1CCCC[C@@]1(C)NC(=O)c1cc([O-])cc(Br)c1 ZINC000599731306 506606788 /nfs/dbraw/zinc/60/67/88/506606788.db2.gz BUXAHDKAYQWOSA-XJKSGUPXSA-N -1 3 370.243 3.006 20 0 FGADHM O=S(=O)([N-]CC1(c2cccc(C(F)(F)F)c2)CC1)c1cncc(F)c1 ZINC000589626920 506610093 /nfs/dbraw/zinc/61/00/93/506610093.db2.gz JXRCBENESGIQKB-UHFFFAOYSA-N -1 3 374.359 3.250 20 0 FGADHM Cc1cc(C)c2ncc(C(=O)[O-])c(N3CC[C@H]([C@H](O)C(F)(F)F)C3)c2c1 ZINC000583149081 506616379 /nfs/dbraw/zinc/61/63/79/506616379.db2.gz ZPCBUYLBYJAHKS-ZBEGNZNMSA-N -1 3 368.355 3.299 20 0 FGADHM O=C(CNC(=O)c1ccc([O-])cc1)NCC(c1ccccc1)c1ccccc1 ZINC000589683604 506627477 /nfs/dbraw/zinc/62/74/77/506627477.db2.gz KIRRICABEMTLIZ-UHFFFAOYSA-N -1 3 374.440 3.070 20 0 FGADHM CN(Cc1c(Cl)cccc1Cl)C(=O)CNC(=O)c1ccc([O-])cc1 ZINC000589686451 506628109 /nfs/dbraw/zinc/62/81/09/506628109.db2.gz BQGKTUMVFLQODW-UHFFFAOYSA-N -1 3 367.232 3.087 20 0 FGADHM C[C@@H]1C[C@@H](CC(=O)NCCCNC(=O)c2cccc([O-])c2)CC(C)(C)C1 ZINC000589694274 506632895 /nfs/dbraw/zinc/63/28/95/506632895.db2.gz IGLCTPPYLJAJJR-CVEARBPZSA-N -1 3 360.498 3.481 20 0 FGADHM C[C@H](CC1CCCC1)C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000603901335 506653577 /nfs/dbraw/zinc/65/35/77/506653577.db2.gz IIFTYFZUCFRUQH-OAHLLOKOSA-N -1 3 358.482 3.329 20 0 FGADHM CCOC(=O)[C@@]1(NC(=O)c2ccc([O-])c(CC)c2)CCc2ccccc21 ZINC000589838301 506659433 /nfs/dbraw/zinc/65/94/33/506659433.db2.gz AFRKKDSIROZUMU-OAQYLSRUSA-N -1 3 353.418 3.089 20 0 FGADHM CCOC(=O)c1csc(C2CCN(C(=O)c3c(C)cccc3[O-])CC2)n1 ZINC000599827209 506660804 /nfs/dbraw/zinc/66/08/04/506660804.db2.gz QYCJAUJYVWGJPL-UHFFFAOYSA-N -1 3 374.462 3.354 20 0 FGADHM COC(=O)CCN(Cc1ccccc1)C(=O)c1cc(SC)ccc1[O-] ZINC000596922828 506679343 /nfs/dbraw/zinc/67/93/43/506679343.db2.gz OTCRQLDNQPAAGK-UHFFFAOYSA-N -1 3 359.447 3.320 20 0 FGADHM Cc1nc(-c2ccc(N3C[C@@H](C)O[C@H](C(F)(F)F)C3)nc2)[n-]c(=O)c1C ZINC000608754691 506696294 /nfs/dbraw/zinc/69/62/94/506696294.db2.gz ZWVYOFNSRGUMTA-RNCFNFMXSA-N -1 3 368.359 3.017 20 0 FGADHM COC(=O)c1ccc(C(=O)Nc2cccnc2OCc2ccccc2)[n-]1 ZINC000590072882 506725639 /nfs/dbraw/zinc/72/56/39/506725639.db2.gz NUHXNROWSOWUIE-UHFFFAOYSA-N -1 3 351.362 3.028 20 0 FGADHM Cc1nn(C)cc1[C@H](C)NC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000590079314 506727743 /nfs/dbraw/zinc/72/77/43/506727743.db2.gz PFNNGMZKGVFNOP-NSHDSACASA-N -1 3 366.425 3.082 20 0 FGADHM CCN1CCCC[C@@H]1C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000583399528 506758089 /nfs/dbraw/zinc/75/80/89/506758089.db2.gz VBKZDSJMMJOWKL-GFCCVEGCSA-N -1 3 351.299 3.146 20 0 FGADHM C[C@@H]1C[C@@H]1Cc1nc(-c2nnc(-c3cccc(Br)c3)[n-]2)no1 ZINC000583411351 506762890 /nfs/dbraw/zinc/76/28/90/506762890.db2.gz GWLXZMIHWJRKIV-PSASIEDQSA-N -1 3 360.215 3.483 20 0 FGADHM C[C@@H]1C[C@@H]1Cc1nc(-c2nc(-c3cccc(Br)c3)n[n-]2)no1 ZINC000583411351 506762897 /nfs/dbraw/zinc/76/28/97/506762897.db2.gz GWLXZMIHWJRKIV-PSASIEDQSA-N -1 3 360.215 3.483 20 0 FGADHM C[C@@H]1C[C@@H]1Cc1nc(-c2n[n-]c(-c3cccc(Br)c3)n2)no1 ZINC000583411351 506762902 /nfs/dbraw/zinc/76/29/02/506762902.db2.gz GWLXZMIHWJRKIV-PSASIEDQSA-N -1 3 360.215 3.483 20 0 FGADHM COC(=O)[C@@H]1CN(C(=O)c2c(C)cccc2[O-])C[C@H]1c1ccc(Cl)cc1 ZINC000600082071 506768410 /nfs/dbraw/zinc/76/84/10/506768410.db2.gz TVKVSPFTNMJNFL-JKSUJKDBSA-N -1 3 373.836 3.383 20 0 FGADHM CCCCn1c(=O)[n-]nc1S[C@@H]1CCCN(c2cccc(F)c2)C1=O ZINC000604270823 506770068 /nfs/dbraw/zinc/77/00/68/506770068.db2.gz HTZUDEVCAUEQDC-CQSZACIVSA-N -1 3 364.446 3.211 20 0 FGADHM CCCS(=O)(=O)[N-]c1cc(NC(=O)Cc2ccccc2)c(F)cc1F ZINC000600089753 506770712 /nfs/dbraw/zinc/77/07/12/506770712.db2.gz KIJDMWUOBJNOFA-UHFFFAOYSA-N -1 3 368.405 3.298 20 0 FGADHM COC(=O)c1ccc(C(=O)Nc2nnc(-c3ccc4ccccc4n3)[n-]2)cc1 ZINC000609091924 506771015 /nfs/dbraw/zinc/77/10/15/506771015.db2.gz IHJOAZIRUDQRGW-UHFFFAOYSA-N -1 3 373.372 3.059 20 0 FGADHM COC(=O)c1ccc(C(=O)Nc2nc(-c3ccc4ccccc4n3)n[n-]2)cc1 ZINC000609091924 506771019 /nfs/dbraw/zinc/77/10/19/506771019.db2.gz IHJOAZIRUDQRGW-UHFFFAOYSA-N -1 3 373.372 3.059 20 0 FGADHM COC(=O)c1ccc(C(=O)Nc2n[n-]c(-c3ccc4ccccc4n3)n2)cc1 ZINC000609091924 506771022 /nfs/dbraw/zinc/77/10/22/506771022.db2.gz IHJOAZIRUDQRGW-UHFFFAOYSA-N -1 3 373.372 3.059 20 0 FGADHM Cc1cccc([O-])c1C(=O)Nc1cnn(C(C)(C)C(=O)OC(C)(C)C)c1 ZINC000600094963 506773844 /nfs/dbraw/zinc/77/38/44/506773844.db2.gz KBAQFCOLOOPTBT-UHFFFAOYSA-N -1 3 359.426 3.226 20 0 FGADHM C/C=C/C[C@H]1CCCN(C(=O)C(=O)[N-]c2sccc2C(=O)OCC)C1 ZINC000600102509 506776901 /nfs/dbraw/zinc/77/69/01/506776901.db2.gz MRKVFXALCFUGHY-LQPUYASZSA-N -1 3 364.467 3.068 20 0 FGADHM CCOC(=O)[C@]1(C)CCC[C@H]1NC(=O)c1cc([O-])cc(Br)c1 ZINC000600108663 506779510 /nfs/dbraw/zinc/77/95/10/506779510.db2.gz GEZGUZFNMXDNIW-CZUORRHYSA-N -1 3 370.243 3.006 20 0 FGADHM Cn1[nH]c(-c2ccccc2)c2c([N-]C(=O)c3cc(-c4ccco4)on3)nnc1-2 ZINC000604371059 506805202 /nfs/dbraw/zinc/80/52/02/506805202.db2.gz SAYJLYPQSYFSNQ-UHFFFAOYSA-N -1 3 374.360 3.464 20 0 FGADHM CC[C@H](C(=O)OC(C)(C)C)N(C)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000593886357 506820997 /nfs/dbraw/zinc/82/09/97/506820997.db2.gz KBXHWMVSNWPSQL-OAHLLOKOSA-N -1 3 353.434 3.433 20 0 FGADHM CC(C)c1cc(C(=O)N2[C@@H]3CC[C@H]2CN(C)C(=O)C3)c([O-])c(C(C)C)c1 ZINC000583549011 506841169 /nfs/dbraw/zinc/84/11/69/506841169.db2.gz FNPDYXWHMLEDDN-CVEARBPZSA-N -1 3 358.482 3.474 20 0 FGADHM C[C@@H]1CCC[C@@H](CCNC(=O)N2CCN(C(=O)c3cccc([O-])c3)CC2)C1 ZINC000604598853 506886794 /nfs/dbraw/zinc/88/67/94/506886794.db2.gz NWWFURRMZXIZKC-SJORKVTESA-N -1 3 373.497 3.076 20 0 FGADHM CCOC(=O)CCN(C(=O)CCc1ccc2ccccc2c1[O-])C1CC1 ZINC000590625470 506887658 /nfs/dbraw/zinc/88/76/58/506887658.db2.gz QKKPTSCFXCHQGX-UHFFFAOYSA-N -1 3 355.434 3.422 20 0 FGADHM Cc1c(C(=O)N=c2cc(-c3ccccc3F)o[n-]2)nnn1CC1CCCC1 ZINC000583674006 506907289 /nfs/dbraw/zinc/90/72/89/506907289.db2.gz RIPVYCHKVZTXQL-UHFFFAOYSA-N -1 3 369.400 3.245 20 0 FGADHM CCOC(=O)c1csc(=NC[C@@H]2CCN(c3ccc(Cl)cc3)C2)[n-]1 ZINC000590687007 506908533 /nfs/dbraw/zinc/90/85/33/506908533.db2.gz JRCYBMAYUADTCK-LBPRGKRZSA-N -1 3 365.886 3.334 20 0 FGADHM O=S(=O)([N-][C@@H]1CCCN(c2cccc(F)c2)C1)c1cc(F)cc(F)c1 ZINC000604770473 506936198 /nfs/dbraw/zinc/93/61/98/506936198.db2.gz XXNYPJOUTPWXIU-OAHLLOKOSA-N -1 3 370.396 3.051 20 0 FGADHM COC(=O)c1cc(Cl)cc(NC(=O)[C@@H]2CC23CCSCC3)c1[O-] ZINC000590759589 506941625 /nfs/dbraw/zinc/94/16/25/506941625.db2.gz OTGZEGFRJMIXDY-NSHDSACASA-N -1 3 355.843 3.304 20 0 FGADHM Cc1nc(-c2ccc(NC(=O)N3CC[C@H](O)CC(C)(C)C3)cc2)cc(=O)[n-]1 ZINC000583735573 506943004 /nfs/dbraw/zinc/94/30/04/506943004.db2.gz MVHVONJTBFIDGX-INIZCTEOSA-N -1 3 370.453 3.172 20 0 FGADHM CN1CCc2[nH]c3ccc(C(=O)N4CCCc5cccc([O-])c54)cc3c2C1 ZINC000613162043 506947325 /nfs/dbraw/zinc/94/73/25/506947325.db2.gz YMBWYFBCSNSAKQ-UHFFFAOYSA-N -1 3 361.445 3.454 20 0 FGADHM Cc1c(C(=O)[O-])sc2ncnc(N(C)CCCN(C)Cc3ccco3)c12 ZINC000583755068 506954890 /nfs/dbraw/zinc/95/48/90/506954890.db2.gz BVZWUALSFVIHQR-UHFFFAOYSA-N -1 3 374.466 3.249 20 0 FGADHM Cc1ccc(CC[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)o1 ZINC000590792880 506962543 /nfs/dbraw/zinc/96/25/43/506962543.db2.gz XDAXDIUKQIWHAL-UHFFFAOYSA-N -1 3 351.321 3.267 20 0 FGADHM COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)c2cc(SC)ccc2[O-])C1 ZINC000597465008 506964566 /nfs/dbraw/zinc/96/45/66/506964566.db2.gz AGEJXKQKVPOPNB-GFCCVEGCSA-N -1 3 351.468 3.166 20 0 FGADHM Cc1cc(C)cc(-c2cc(=NC(=O)[C@H]3CCCN3C(=O)C(C)(C)C)[nH][n-]2)c1 ZINC000604901100 506982862 /nfs/dbraw/zinc/98/28/62/506982862.db2.gz CAHBRBRMVSYTHI-QGZVFWFLSA-N -1 3 368.481 3.091 20 0 FGADHM CCc1ccc([O-])c(C(=O)N2CCCN(C(=O)CC3CCCC3)CC2)c1 ZINC000594181321 506993252 /nfs/dbraw/zinc/99/32/52/506993252.db2.gz UGLXMLQVMXPFFJ-UHFFFAOYSA-N -1 3 358.482 3.209 20 0 FGADHM O=C(Nc1ccc(OC(F)(F)F)cc1[O-])c1c[nH]nc1-c1ccccn1 ZINC000583843731 507003222 /nfs/dbraw/zinc/00/32/22/507003222.db2.gz APDRWFGZHYWMPA-UHFFFAOYSA-N -1 3 364.283 3.328 20 0 FGADHM CCC(C)(C)OCC(=O)Nc1cc(I)ccc1[O-] ZINC000590908108 507024834 /nfs/dbraw/zinc/02/48/34/507024834.db2.gz HQIMGLXORZYFHD-UHFFFAOYSA-N -1 3 363.195 3.141 20 0 FGADHM CCc1cc(=O)[n-]c(CSCC(=O)Nc2ccc(Cl)c(F)c2)n1 ZINC000600622371 507035737 /nfs/dbraw/zinc/03/57/37/507035737.db2.gz NAPNDCNYVAYRRW-UHFFFAOYSA-N -1 3 355.822 3.409 20 0 FGADHM COC(=O)C1(CS(=O)(=O)[N-]c2ccc3[nH]cc(C)c3c2)CCCCC1 ZINC000600658689 507052514 /nfs/dbraw/zinc/05/25/14/507052514.db2.gz MMOUXVRAVRTIMG-UHFFFAOYSA-N -1 3 364.467 3.342 20 0 FGADHM CCCN(CC)c1ccc(C(=O)Nc2nc(C)[n-]c2C(=O)OCC)cc1 ZINC000610109214 507102501 /nfs/dbraw/zinc/10/25/01/507102501.db2.gz GPSGGTDLJWXBLI-UHFFFAOYSA-N -1 3 358.442 3.383 20 0 FGADHM CCCN(CC)c1ccc(C(=O)Nc2[n-]c(C)nc2C(=O)OCC)cc1 ZINC000610109214 507102507 /nfs/dbraw/zinc/10/25/07/507102507.db2.gz GPSGGTDLJWXBLI-UHFFFAOYSA-N -1 3 358.442 3.383 20 0 FGADHM CCOC(=O)c1ccc(NC(=O)c2ccc(CN(CC)CC)o2)c([O-])c1 ZINC000610139695 507115108 /nfs/dbraw/zinc/11/51/08/507115108.db2.gz ILXWHLSWXKPAJW-UHFFFAOYSA-N -1 3 360.410 3.256 20 0 FGADHM O=S(=O)(C[C@H]1CCCO1)[N-]c1cc(C(F)(F)F)ccc1-n1cccc1 ZINC000605291691 507131781 /nfs/dbraw/zinc/13/17/81/507131781.db2.gz OKOGDETWCFEMIY-CYBMUJFWSA-N -1 3 374.384 3.417 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1cc(-c2ccccc2Cl)on1 ZINC000591177610 507144664 /nfs/dbraw/zinc/14/46/64/507144664.db2.gz OHCGZUNUKGEOQA-UHFFFAOYSA-N -1 3 366.768 3.427 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cc(-c2ccccc2Cl)on1 ZINC000591177610 507144673 /nfs/dbraw/zinc/14/46/73/507144673.db2.gz OHCGZUNUKGEOQA-UHFFFAOYSA-N -1 3 366.768 3.427 20 0 FGADHM Cc1c(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)sc2nccc(C)c12 ZINC000591177480 507144979 /nfs/dbraw/zinc/14/49/79/507144979.db2.gz FOKJVODPGSVZCC-UHFFFAOYSA-N -1 3 350.407 3.346 20 0 FGADHM Cc1c(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)sc2nccc(C)c12 ZINC000591177480 507144984 /nfs/dbraw/zinc/14/49/84/507144984.db2.gz FOKJVODPGSVZCC-UHFFFAOYSA-N -1 3 350.407 3.346 20 0 FGADHM Cc1oc(-c2ccccc2)nc1C(=O)[N-]c1sccc1S(C)(=O)=O ZINC000605367464 507161682 /nfs/dbraw/zinc/16/16/82/507161682.db2.gz NAYRVCLBCZFJIG-UHFFFAOYSA-N -1 3 362.432 3.367 20 0 FGADHM CC[C@H](C[N-]S(=O)(=O)c1ccc(Br)cn1)c1ccccc1 ZINC000605438335 507192106 /nfs/dbraw/zinc/19/21/06/507192106.db2.gz SJWFXKGCFRLAFQ-GFCCVEGCSA-N -1 3 369.284 3.316 20 0 FGADHM CCCSC[C@@H](NCc1ccc(Br)c(F)c1F)C(=O)[O-] ZINC000600941803 507201852 /nfs/dbraw/zinc/20/18/52/507201852.db2.gz KCLKCJOTMWCZON-SNVBAGLBSA-N -1 3 368.243 3.413 20 0 FGADHM CC(C)(C)OC(=O)C[C@H](NCc1ccccc1CC(F)(F)F)C(=O)[O-] ZINC000600942246 507202718 /nfs/dbraw/zinc/20/27/18/507202718.db2.gz WPHPNXHBAPBSPI-ZDUSSCGKSA-N -1 3 361.360 3.066 20 0 FGADHM CCOC(=O)CCN(Cc1ccc(OC)c([O-])c1Br)C(C)C ZINC000594612602 507210828 /nfs/dbraw/zinc/21/08/28/507210828.db2.gz USIOZSHNRDKOKR-UHFFFAOYSA-N -1 3 374.275 3.327 20 0 FGADHM O=C(Cc1cncc([O-])c1)Nc1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000613684500 507214248 /nfs/dbraw/zinc/21/42/48/507214248.db2.gz JDIOFBBARYXDGJ-LBPRGKRZSA-N -1 3 362.813 3.037 20 0 FGADHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-]CCCCC(C)(C)C)s1 ZINC000591393001 507232366 /nfs/dbraw/zinc/23/23/66/507232366.db2.gz RLIODAPZKOMFNY-LBPRGKRZSA-N -1 3 360.545 3.440 20 0 FGADHM COc1cccc(C[S@](=O)Cc2cc(=O)[n-]c(C3CC3)n2)c1Cl ZINC000594689379 507238923 /nfs/dbraw/zinc/23/89/23/507238923.db2.gz YXZCEOBZVZJBEN-QHCPKHFHSA-N -1 3 352.843 3.171 20 0 FGADHM O=C(c1cc(=O)c2cc(Br)ccc2[n-]1)N1CCCC12CCC2 ZINC000584270996 507249106 /nfs/dbraw/zinc/24/91/06/507249106.db2.gz IUZGMHOUINFOCH-UHFFFAOYSA-N -1 3 361.239 3.449 20 0 FGADHM O=C(Nc1ccc(Oc2ccncc2)cc1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000591450397 507253966 /nfs/dbraw/zinc/25/39/66/507253966.db2.gz UHCODUZOAFRZDN-UHFFFAOYSA-N -1 3 359.341 3.010 20 0 FGADHM O=C(CCCCCc1ccc(O)cc1)N=c1cc(-c2ccncc2)[n-][nH]1 ZINC000591451366 507256121 /nfs/dbraw/zinc/25/61/21/507256121.db2.gz WFEBBXIXKVVQDB-UHFFFAOYSA-N -1 3 350.422 3.341 20 0 FGADHM COC(=O)c1ccc2c(c1)[C@@H](CNC(=O)c1ccc([O-])c(OC)c1)CCC2 ZINC000598106527 507259160 /nfs/dbraw/zinc/25/91/60/507259160.db2.gz QLIMRWWOCGQYTM-MRXNPFEDSA-N -1 3 369.417 3.037 20 0 FGADHM C[S@](=O)c1cccc(C(=O)Nc2cc(Br)ccc2[O-])c1 ZINC000613807405 507264801 /nfs/dbraw/zinc/26/48/01/507264801.db2.gz ZLSGDMYLQIZVET-FQEVSTJZSA-N -1 3 354.225 3.144 20 0 FGADHM CCCc1ccc(-c2cc(=NC(=O)c3cccc([S@@](C)=O)c3)[nH][n-]2)cc1 ZINC000613850851 507280068 /nfs/dbraw/zinc/28/00/68/507280068.db2.gz SANSKHHJJVPJSZ-AREMUKBSSA-N -1 3 367.474 3.441 20 0 FGADHM COC(=O)[C@@H]1CCC[C@H](C(=O)N=c2cc(-c3cccc(Cl)c3)[n-][nH]2)C1 ZINC000610573127 507295825 /nfs/dbraw/zinc/29/58/25/507295825.db2.gz FOWLKLJHSRJFPW-QWHCGFSZSA-N -1 3 361.829 3.070 20 0 FGADHM O=C([O-])CCN(CCOc1ccccc1F)Cc1ccc(F)c(F)c1 ZINC000584415940 507333849 /nfs/dbraw/zinc/33/38/49/507333849.db2.gz FAYCKAUALMKNRA-UHFFFAOYSA-N -1 3 353.340 3.460 20 0 FGADHM Cc1ccc(-c2cc(=NC(=O)c3ccccc3OCCN(C)C)[nH][n-]2)s1 ZINC000591828376 507381585 /nfs/dbraw/zinc/38/15/85/507381585.db2.gz SAWSYFRUBPGKLS-UHFFFAOYSA-N -1 3 370.478 3.061 20 0 FGADHM COC(=O)C(C)(C)n1cc(NC(=O)c2cc3cc(Cl)sc3[n-]2)cn1 ZINC000598372577 507396633 /nfs/dbraw/zinc/39/66/33/507396633.db2.gz XBRXFRFBNLVAIJ-UHFFFAOYSA-N -1 3 366.830 3.240 20 0 FGADHM COc1ccc([O-])c(C(=O)N(CC(=O)OC(C)(C)C)CC(C)(C)C)c1 ZINC000598386863 507400837 /nfs/dbraw/zinc/40/08/37/507400837.db2.gz XVVKGSPOWSMUFJ-UHFFFAOYSA-N -1 3 351.443 3.231 20 0 FGADHM O=S(=O)(C[C@@H]1CCCO1)[N-]c1cccc(OCCc2ccccc2)c1 ZINC000584685193 507448650 /nfs/dbraw/zinc/44/86/50/507448650.db2.gz NLUFDMZGOJWGBR-IBGZPJMESA-N -1 3 361.463 3.229 20 0 FGADHM COc1ccc(F)c2[nH]c(-c3nc(-c4ccc5n[n-]nc5c4)no3)cc21 ZINC000584695558 507454947 /nfs/dbraw/zinc/45/49/47/507454947.db2.gz KIVFNMFOWZMRON-UHFFFAOYSA-N -1 3 350.313 3.304 20 0 FGADHM O=C([O-])CCN(Cc1ccccc1Oc1cccnc1)C[C@H]1CCCO1 ZINC000584725963 507471862 /nfs/dbraw/zinc/47/18/62/507471862.db2.gz UZKMHKRMJCDQNH-GOSISDBHSA-N -1 3 356.422 3.330 20 0 FGADHM C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)NCc1ccc([O-])c(F)c1 ZINC000606661543 507472064 /nfs/dbraw/zinc/47/20/64/507472064.db2.gz XSJBXNKRRJYHNS-GFCCVEGCSA-N -1 3 360.385 3.081 20 0 FGADHM COC(=O)[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccc(C(C)=O)c([O-])c2)cc1 ZINC000601838811 507479518 /nfs/dbraw/zinc/47/95/18/507479518.db2.gz PEGLBIMXLXXPNO-DLBZAZTESA-N -1 3 353.374 3.124 20 0 FGADHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)c(OCCN(C)C)c1 ZINC000606754703 507498517 /nfs/dbraw/zinc/49/85/17/507498517.db2.gz GDZHGPDEKWLDAT-UHFFFAOYSA-N -1 3 374.506 3.225 20 0 FGADHM O=C(Nc1cc(I)ccc1[O-])C(C1CC1)C1CC1 ZINC000611078580 507505944 /nfs/dbraw/zinc/50/59/44/507505944.db2.gz LGAVHLUGWDLYBR-UHFFFAOYSA-N -1 3 357.191 3.372 20 0 FGADHM COC(=O)c1cc(S(=O)(=O)[N-][C@H](C)C(C)(C)c2ccccc2)c(C)o1 ZINC000611105387 507517877 /nfs/dbraw/zinc/51/78/77/507517877.db2.gz HDMWJZZRBHYIFG-CYBMUJFWSA-N -1 3 365.451 3.019 20 0 FGADHM CCCCN(C)S(=O)(=O)[N-]c1cc(Br)ccc1OCC ZINC000606825239 507521338 /nfs/dbraw/zinc/52/13/38/507521338.db2.gz IMPHYPZLMFIVBI-UHFFFAOYSA-N -1 3 365.293 3.236 20 0 FGADHM CS[C@@H](C)CC(=O)Nc1cc(I)ccc1[O-] ZINC000611140843 507532470 /nfs/dbraw/zinc/53/24/70/507532470.db2.gz NWVDFZNUZFXHSZ-ZETCQYMHSA-N -1 3 351.209 3.077 20 0 FGADHM COc1ccc2c(c1)[n-]cc(C(=O)N1CCc3c(Cl)cccc3C1)c2=O ZINC000606931515 507560379 /nfs/dbraw/zinc/56/03/79/507560379.db2.gz FJMJOWJEUWNAFO-UHFFFAOYSA-N -1 3 368.820 3.389 20 0 FGADHM COC(=O)c1ccc(C(=O)[N-]c2nnc(/C=C/c3ccco3)s2)cc1F ZINC000611212340 507563278 /nfs/dbraw/zinc/56/32/78/507563278.db2.gz ICGYJROFNRWHGA-FNORWQNLSA-N -1 3 373.365 3.480 20 0 FGADHM CC(C)(C)OC(=O)c1ccnc([N-]C(=O)c2snnc2C(C)(C)C)c1 ZINC000598747874 507579609 /nfs/dbraw/zinc/57/96/09/507579609.db2.gz PQDQQIUEBSAOFO-UHFFFAOYSA-N -1 3 362.455 3.438 20 0 FGADHM CC(C)C[C@H]1CCCCCN1C(=O)CC[N-]S(=O)(=O)c1cccs1 ZINC000607129382 507624868 /nfs/dbraw/zinc/62/48/68/507624868.db2.gz IFCDTGAFQVATMT-OAHLLOKOSA-N -1 3 372.556 3.234 20 0 FGADHM CCCN(CC)C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000607221181 507657890 /nfs/dbraw/zinc/65/78/90/507657890.db2.gz RCCZTZWRQVEAKW-UHFFFAOYSA-N -1 3 359.467 3.166 20 0 FGADHM C[C@@H](NC(=O)C1CCC(C2CC2)CC1)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000614821045 507665145 /nfs/dbraw/zinc/66/51/45/507665145.db2.gz DYLIJITVYXCJDA-KCNJBTMXSA-N -1 3 359.470 3.083 20 0 FGADHM CC(C)c1ccsc1C(=O)N[C@H](C)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000614821625 507665801 /nfs/dbraw/zinc/66/58/01/507665801.db2.gz IQXRUJAGZCHULX-VXGBXAGGSA-N -1 3 361.467 3.365 20 0 FGADHM C[C@H](CSCCNCc1ccc(N(C)c2ccccc2)nc1)C(=O)[O-] ZINC000592461465 507665851 /nfs/dbraw/zinc/66/58/51/507665851.db2.gz HERPWSAZADHEDX-OAHLLOKOSA-N -1 3 359.495 3.393 20 0 FGADHM C[C@@H](NC(=O)CCCc1ccc(F)cc1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000614820999 507666423 /nfs/dbraw/zinc/66/64/23/507666423.db2.gz DFJFQKOUQBESBH-UONOGXRCSA-N -1 3 373.428 3.029 20 0 FGADHM C[C@@H](NC(=O)c1ccc(C2CC2)cc1)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000614824615 507667377 /nfs/dbraw/zinc/66/73/77/507667377.db2.gz WGGSKNPMMYCFQO-CHWSQXEVSA-N -1 3 353.422 3.058 20 0 FGADHM COC(=O)c1ccc(F)c([N-]C(=O)c2ccc(C(=O)OC(C)(C)C)cn2)c1 ZINC000592576731 507710381 /nfs/dbraw/zinc/71/03/81/507710381.db2.gz CZEKZFWPILKEAN-UHFFFAOYSA-N -1 3 374.368 3.215 20 0 FGADHM CCOC(=O)c1cnc(C)c([N-]C(=O)c2noc(-c3cccc(F)c3)n2)c1 ZINC000611529195 507725175 /nfs/dbraw/zinc/72/51/75/507725175.db2.gz ZRAICTHUSYPWLM-UHFFFAOYSA-N -1 3 370.340 3.008 20 0 FGADHM COC(=O)c1cc(Cl)cc(NC(=O)C(=O)c2ccc(Cl)s2)c1[O-] ZINC000588096390 507759705 /nfs/dbraw/zinc/75/97/05/507759705.db2.gz BECCPJPFYSSDRB-UHFFFAOYSA-N -1 3 374.201 3.369 20 0 FGADHM C[C@@H](CC(=O)Nc1nnc(-c2ccc3ccccc3n2)[n-]1)[C@H]1CCCO1 ZINC000615123949 507760517 /nfs/dbraw/zinc/76/05/17/507760517.db2.gz REBBJFHSWPEUNY-BLLLJJGKSA-N -1 3 351.410 3.164 20 0 FGADHM C[C@@H](CC(=O)Nc1nc(-c2ccc3ccccc3n2)n[n-]1)[C@H]1CCCO1 ZINC000615123949 507760522 /nfs/dbraw/zinc/76/05/22/507760522.db2.gz REBBJFHSWPEUNY-BLLLJJGKSA-N -1 3 351.410 3.164 20 0 FGADHM C[C@@H](CC(=O)Nc1n[n-]c(-c2ccc3ccccc3n2)n1)[C@H]1CCCO1 ZINC000615123949 507760528 /nfs/dbraw/zinc/76/05/28/507760528.db2.gz REBBJFHSWPEUNY-BLLLJJGKSA-N -1 3 351.410 3.164 20 0 FGADHM COC(=O)c1cc(Cl)cc(NC(=O)c2cnc(C3CC3)s2)c1[O-] ZINC000588100235 507763221 /nfs/dbraw/zinc/76/32/21/507763221.db2.gz UNSYRXPAUOZNTN-UHFFFAOYSA-N -1 3 352.799 3.418 20 0 FGADHM CC[C@@H](C)c1nc(C)c(CC(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)c(C)n1 ZINC000615136339 507765406 /nfs/dbraw/zinc/76/54/06/507765406.db2.gz SJKJFNOWHUERNX-SNVBAGLBSA-N -1 3 353.426 3.370 20 0 FGADHM CCc1[n-][nH]c(=NC(=O)[C@@H](OC)[C@@H](C)CC)c1-c1ccc2c(c1)OCO2 ZINC000480203492 514878793 /nfs/dbraw/zinc/87/87/93/514878793.db2.gz WUXGEHIKFMJCFA-GTNSWQLSSA-N -1 3 359.426 3.367 20 0 FGADHM COCc1n[n-]c(=NC[C@H](c2ccccc2OC)N2CCCCC2)s1 ZINC000477021006 515291459 /nfs/dbraw/zinc/29/14/59/515291459.db2.gz KPLPMWYOVKHMJF-OAHLLOKOSA-N -1 3 362.499 3.332 20 0 FGADHM C[C@H](NC(=O)N=c1ccc(C(F)(F)F)n[n-]1)[C@H](c1ccccc1)N(C)C ZINC000481330873 515292258 /nfs/dbraw/zinc/29/22/58/515292258.db2.gz NOSOQZGKYTVJPV-XHDPSFHLSA-N -1 3 367.375 3.308 20 0 FGADHM C[C@@H](Oc1ccc(F)cc1Cl)C(=O)N=c1cc(OC(F)F)n(C)[n-]1 ZINC000490943671 515339156 /nfs/dbraw/zinc/33/91/56/515339156.db2.gz OHHIXKZYQVSGDO-SSDOTTSWSA-N -1 3 363.723 3.220 20 0 FGADHM COCCOc1cc(OC)ccc1C(=O)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000473147292 515517151 /nfs/dbraw/zinc/51/71/51/515517151.db2.gz OTVTXFHHVXQLJH-UHFFFAOYSA-N -1 3 367.405 3.363 20 0 FGADHM COCCC(C)(C)CNC(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482113207 515580163 /nfs/dbraw/zinc/58/01/63/515580163.db2.gz KKQXOLNCYKRCKV-UHFFFAOYSA-N -1 3 369.263 3.281 20 0 FGADHM CC[C@H]1CN(C(=O)N=c2cc3ccc(Br)cn3[n-]2)C[C@@H](C)O1 ZINC000482141946 515586465 /nfs/dbraw/zinc/58/64/65/515586465.db2.gz NXHXWZKMWVUEBV-MFKMUULPSA-N -1 3 367.247 3.128 20 0 FGADHM CO[C@@]1(C)CCCN(C(=O)N=c2cc3ccc(Br)cn3[n-]2)C1 ZINC000482141886 515587088 /nfs/dbraw/zinc/58/70/88/515587088.db2.gz NQMMHSDWRNUWKA-HNNXBMFYSA-N -1 3 367.247 3.130 20 0 FGADHM CSCCCN(C)C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482185440 515600423 /nfs/dbraw/zinc/60/04/23/515600423.db2.gz KNDXBJSUJHANDY-UHFFFAOYSA-N -1 3 357.277 3.314 20 0 FGADHM Cc1cc(C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)nn1-c1ccc(F)cc1 ZINC000473841429 515769915 /nfs/dbraw/zinc/76/99/15/515769915.db2.gz HHPMVNNJTVAUET-INIZCTEOSA-N -1 3 355.373 3.147 20 0 FGADHM Cc1cc(C(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)nn1-c1cccc(F)c1 ZINC000473854035 515777286 /nfs/dbraw/zinc/77/72/86/515777286.db2.gz XXEJKIRNBDNEHM-MRXNPFEDSA-N -1 3 355.373 3.147 20 0 FGADHM COc1ccc(C[C@H](C)C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)cc1OC ZINC000473855987 515778401 /nfs/dbraw/zinc/77/84/01/515778401.db2.gz OIRIHWLRVNGYOE-WFASDCNBSA-N -1 3 359.426 3.096 20 0 FGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)C1(C2CC2)CCOCC1 ZINC000511280049 515850204 /nfs/dbraw/zinc/85/02/04/515850204.db2.gz FWGXJLYWIQIFCR-UHFFFAOYSA-N -1 3 364.243 3.242 20 0 FGADHM CCN=c1[n-]c(C(=O)NCc2ccc(OCc3ccccn3)cc2)cs1 ZINC000478748983 515950992 /nfs/dbraw/zinc/95/09/92/515950992.db2.gz UUAUQJZPICIJLM-UHFFFAOYSA-N -1 3 368.462 3.479 20 0 FGADHM COc1ccc(C(=O)N=c2cc(OC(F)F)n(C)[n-]2)c(OCC(C)C)c1 ZINC000474380142 516021119 /nfs/dbraw/zinc/02/11/19/516021119.db2.gz SJZHGCKEWHDCSP-UHFFFAOYSA-N -1 3 369.368 3.317 20 0 FGADHM O=C(N=c1cc(-c2ccncc2)[n-][nH]1)c1ccc2nc(C(F)(F)F)cn2c1 ZINC000474860488 516215661 /nfs/dbraw/zinc/21/56/61/516215661.db2.gz OLHLDAKLKVFROZ-UHFFFAOYSA-N -1 3 372.310 3.391 20 0 FGADHM CC(C)Cn1ncc2cc(C(=O)N=c3cc(-c4ccncc4)[n-][nH]3)cnc21 ZINC000512298607 516229370 /nfs/dbraw/zinc/22/93/70/516229370.db2.gz KOBIEYGCAVTYHY-UHFFFAOYSA-N -1 3 361.409 3.125 20 0 FGADHM COC[C@H](NC(=O)N=c1cc(OC(F)F)n(C)[n-]1)c1ccc(Cl)cc1 ZINC000488653793 516281546 /nfs/dbraw/zinc/28/15/46/516281546.db2.gz BOMHHNFEMQDYER-NSHDSACASA-N -1 3 374.775 3.184 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)C(=O)c2cnn(C(C)(C)C)c2)c1-c1ccccc1 ZINC000523333278 516440660 /nfs/dbraw/zinc/44/06/60/516440660.db2.gz LLGJHZAQTUXUIU-UHFFFAOYSA-N -1 3 351.410 3.158 20 0 FGADHM Cn1cc(-c2ccc(F)c(C(=O)N=c3cc(-c4ccncc4)[n-][nH]3)c2)cn1 ZINC000543953044 516511272 /nfs/dbraw/zinc/51/12/72/516511272.db2.gz TVZIASMCNIDBHX-UHFFFAOYSA-N -1 3 362.368 3.264 20 0 FGADHM O=C(N=c1ccc(C2CC2)n[n-]1)NC1CCN(Cc2ccccc2)CC1 ZINC000531674776 516592595 /nfs/dbraw/zinc/59/25/95/516592595.db2.gz SCINUYFZZSCLPN-UHFFFAOYSA-N -1 3 351.454 3.140 20 0 FGADHM COc1cc2c(cc1C(=O)N=c1cc(-c3ccccc3C)[n-][nH]1)OCO2 ZINC000544793747 516931742 /nfs/dbraw/zinc/93/17/42/516931742.db2.gz DKHNTWNTWSCLLH-UHFFFAOYSA-N -1 3 351.362 3.375 20 0 FGADHM CCCCN(C)CCNC(=O)N=c1[n-]nc(Cc2ccccc2F)s1 ZINC000525413604 517034431 /nfs/dbraw/zinc/03/44/31/517034431.db2.gz LMYMZXSCCKUXKW-UHFFFAOYSA-N -1 3 365.478 3.121 20 0 FGADHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)c1cccc(COC2CCOCC2)c1 ZINC000525966596 517260763 /nfs/dbraw/zinc/26/07/63/517260763.db2.gz JRKHYIMCLHENCT-GOSISDBHSA-N -1 3 371.437 3.209 20 0 FGADHM CC[C@@H](C)C(=O)N1CSC[C@H]1C(=O)N=c1cc(-c2ccccc2C)[n-][nH]1 ZINC000538220742 517510020 /nfs/dbraw/zinc/51/00/20/517510020.db2.gz SPPKZXBYLABMJF-WBMJQRKESA-N -1 3 372.494 3.271 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)c1-c1ccc2c(c1)OCCO2 ZINC000530266032 517666907 /nfs/dbraw/zinc/66/69/07/517666907.db2.gz MZUQXGRTWJGNPJ-HEKSYOIISA-N -1 3 371.437 3.154 20 0 FGADHM Cc1nccc(NCc2cccc(C(=O)Nc3cc(F)ccc3[O-])c2)n1 ZINC000542651072 517670602 /nfs/dbraw/zinc/67/06/02/517670602.db2.gz XOPCJDVDOSQTRF-UHFFFAOYSA-N -1 3 352.369 3.494 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@@H](C)NC(=O)C2CCCC2)c1-c1ccccc1F ZINC000530275701 517673614 /nfs/dbraw/zinc/67/36/14/517673614.db2.gz MLRMECMCLHJYER-GFCCVEGCSA-N -1 3 358.417 3.158 20 0 FGADHM CN1CC[C@@H](NC(=O)N=c2[n-]nc(-c3ccco3)s2)[C@@H]1c1ccccc1 ZINC000530462775 517789834 /nfs/dbraw/zinc/78/98/34/517789834.db2.gz YZQFEKBBDPKTAD-HIFRSBDPSA-N -1 3 369.450 3.365 20 0 FGADHM COC1(C(=O)N=c2cc(-c3cc(F)cc(Br)c3)[n-][nH]2)CCC1 ZINC000542884741 517799082 /nfs/dbraw/zinc/79/90/82/517799082.db2.gz FIUOVBQXLGMGMH-UHFFFAOYSA-N -1 3 368.206 3.486 20 0 FGADHM COc1ccc(CNC(=O)c2c[n-][nH]c2=NC(=O)[C@H]2CCC(C)(C)C2)cc1 ZINC000542907017 517807397 /nfs/dbraw/zinc/80/73/97/517807397.db2.gz FLANHCIHFNHEIP-AWEZNQCLSA-N -1 3 370.453 3.113 20 0 FGADHM CCN=c1[n-]c(C(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)cs1 ZINC000539370110 518012186 /nfs/dbraw/zinc/01/21/86/518012186.db2.gz FJURHGQDCDWVBV-OCCSQVGLSA-N -1 3 351.859 3.488 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)c1-c1ccccc1 ZINC000522168852 518012735 /nfs/dbraw/zinc/01/27/35/518012735.db2.gz ZKJBNEJVDKFHDO-MRXNPFEDSA-N -1 3 360.417 3.377 20 0 FGADHM CC(=O)N1CCC(CCC(=O)N=c2cc(-c3ccccc3C)[n-][nH]2)CC1 ZINC000608359404 519948182 /nfs/dbraw/zinc/94/81/82/519948182.db2.gz ALKHCELHYMDPCC-UHFFFAOYSA-N -1 3 354.454 3.362 20 0 FGADHM O=C(CC1CC1)N=c1cc(-c2ccc(I)cc2)[n-][nH]1 ZINC000609521189 520340801 /nfs/dbraw/zinc/34/08/01/520340801.db2.gz YNYVJZLCRWNNIF-UHFFFAOYSA-N -1 3 367.190 3.420 20 0 FGADHM COC(=O)c1ccc(C(=O)N=c2cc(-c3ccccc3OC)[n-][nH]2)cc1F ZINC000610877561 520887076 /nfs/dbraw/zinc/88/70/76/520887076.db2.gz ZSTBNCGERLAPPL-UHFFFAOYSA-N -1 3 369.352 3.263 20 0 FGADHM CCc1cc([N-]C(=O)c2cn(-c3cccc(C(F)(F)F)c3)nn2)no1 ZINC000606886370 521194778 /nfs/dbraw/zinc/19/47/78/521194778.db2.gz LIYSVLOZANFMEV-UHFFFAOYSA-N -1 3 351.288 3.089 20 0 FGADHM O=C(NCc1ccc(N2CCCCCC2)nc1)c1csc(=NC2CC2)[n-]1 ZINC000607054369 521246954 /nfs/dbraw/zinc/24/69/54/521246954.db2.gz QUNDJTBXFXWJSJ-UHFFFAOYSA-N -1 3 371.510 3.423 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@@H](C)NC(=O)CC(C)(C)C)c1-c1ccc(F)cc1 ZINC000630028871 522592135 /nfs/dbraw/zinc/59/21/35/522592135.db2.gz XEBGFWAWVWHTHL-GFCCVEGCSA-N -1 3 360.433 3.404 20 0 FGADHM COc1ccc([C@H](CNc2ncc(C(=O)[O-])s2)N2CCCCC2)cc1 ZINC000630455120 522858997 /nfs/dbraw/zinc/85/89/97/522858997.db2.gz ANEOHNZVBZNBQJ-HNNXBMFYSA-N -1 3 361.467 3.489 20 0 FGADHM CCn1ncc(Cl)c1C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000622887710 523530639 /nfs/dbraw/zinc/53/06/39/523530639.db2.gz FWFBOJOUKATTRJ-UHFFFAOYSA-N -1 3 356.135 3.221 20 0 FGADHM Cn1[n-]c(=NC(=O)c2ccc(-c3ccccc3)[nH]c2=O)cc1OC(F)F ZINC000490909884 561440315 /nfs/dbraw/zinc/44/03/15/561440315.db2.gz MHEPMYUDQLIPJU-UHFFFAOYSA-N -1 3 360.320 3.041 20 0 FGADHM COc1cc(=NC(=O)N2CCc3c(cccc3C(F)(F)F)C2)[n-]n1C ZINC000529067845 562358709 /nfs/dbraw/zinc/35/87/09/562358709.db2.gz JHCDPVSMWFRTJO-UHFFFAOYSA-N -1 3 354.332 3.038 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@@H](C)n2nnnc2C(C)(C)C)c1-c1ccc(F)cc1 ZINC000530276336 562405031 /nfs/dbraw/zinc/40/50/31/562405031.db2.gz HGYBCLURBCLJJR-LLVKDONJSA-N -1 3 371.420 3.008 20 0 FGADHM Cc1ccc(F)c(S(=O)(=O)[N-]C[C@H](c2cccs2)N2CCCC2)c1 ZINC000058176208 568363332 /nfs/dbraw/zinc/36/33/32/568363332.db2.gz ONHHLDMROCCFQA-OAHLLOKOSA-N -1 3 368.499 3.311 20 0 FGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)[C@@H]2CCc3cc(F)ccc32)c1 ZINC000669205461 568660536 /nfs/dbraw/zinc/66/05/36/568660536.db2.gz ZDCIFRFIPDHSKO-OAHLLOKOSA-N -1 3 362.426 3.174 20 0 FGADHM O=C(Nc1nc(-c2cccc(F)c2)cs1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738212620 598849651 /nfs/dbraw/zinc/84/96/51/598849651.db2.gz SCBDYALKJLQRKV-UHFFFAOYSA-N -1 3 366.381 3.382 20 0 FGADHM O=C(Nc1nc(-c2cccc(F)c2)cs1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738212620 598849653 /nfs/dbraw/zinc/84/96/53/598849653.db2.gz SCBDYALKJLQRKV-UHFFFAOYSA-N -1 3 366.381 3.382 20 0 FGADHM C[C@@H]1CC[C@H](NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)[C@@H](C)C1 ZINC000736239079 598853781 /nfs/dbraw/zinc/85/37/81/598853781.db2.gz GAERSHHPBRFWCS-GLJUWKHASA-N -1 3 368.485 3.365 20 0 FGADHM C[C@@H]1CC[C@H](NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)[C@@H](C)C1 ZINC000736239079 598853782 /nfs/dbraw/zinc/85/37/82/598853782.db2.gz GAERSHHPBRFWCS-GLJUWKHASA-N -1 3 368.485 3.365 20 0 FGADHM O[C@@H](CNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccsc1 ZINC000738381880 598854540 /nfs/dbraw/zinc/85/45/40/598854540.db2.gz ITDHPNZDIOVRTO-LBPRGKRZSA-N -1 3 355.345 3.093 20 0 FGADHM O[C@@H](CNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccsc1 ZINC000738381880 598854541 /nfs/dbraw/zinc/85/45/41/598854541.db2.gz ITDHPNZDIOVRTO-LBPRGKRZSA-N -1 3 355.345 3.093 20 0 FGADHM COC(=O)[C@@H](Nc1ccc(C(C)C)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736897988 598879032 /nfs/dbraw/zinc/87/90/32/598879032.db2.gz NRYZSAYKMXUGTP-KRWDZBQOSA-N -1 3 351.410 3.316 20 0 FGADHM COC(=O)[C@@H](Nc1ccc(C(C)C)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736897988 598879033 /nfs/dbraw/zinc/87/90/33/598879033.db2.gz NRYZSAYKMXUGTP-KRWDZBQOSA-N -1 3 351.410 3.316 20 0 FGADHM CCSc1cccc(NC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000736668484 598879943 /nfs/dbraw/zinc/87/99/43/598879943.db2.gz YNRSKGQBQSIHSQ-UHFFFAOYSA-N -1 3 372.429 3.440 20 0 FGADHM CCSc1cccc(NC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000736668484 598879945 /nfs/dbraw/zinc/87/99/45/598879945.db2.gz YNRSKGQBQSIHSQ-UHFFFAOYSA-N -1 3 372.429 3.440 20 0 FGADHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)Cc1cccc(Cl)c1 ZINC000736038986 598881563 /nfs/dbraw/zinc/88/15/63/598881563.db2.gz YJDCPXKCRNCICA-GFCCVEGCSA-N -1 3 372.812 3.073 20 0 FGADHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)Cc1cccc(Cl)c1 ZINC000736038986 598881565 /nfs/dbraw/zinc/88/15/65/598881565.db2.gz YJDCPXKCRNCICA-GFCCVEGCSA-N -1 3 372.812 3.073 20 0 FGADHM CC[C@H](C(=O)O[C@H](C)COc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000736313535 598885134 /nfs/dbraw/zinc/88/51/34/598885134.db2.gz MTVDCGLIKNULIV-KDOFPFPSSA-N -1 3 366.421 3.371 20 0 FGADHM CC[C@H](C(=O)O[C@H](C)COc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000736313535 598885136 /nfs/dbraw/zinc/88/51/36/598885136.db2.gz MTVDCGLIKNULIV-KDOFPFPSSA-N -1 3 366.421 3.371 20 0 FGADHM Cc1cc(CC(=O)Nc2sc(-c3ccccc3)cc2-c2nnn[n-]2)no1 ZINC000737261943 598905425 /nfs/dbraw/zinc/90/54/25/598905425.db2.gz ILOPVJATIRXBNQ-UHFFFAOYSA-N -1 3 366.406 3.073 20 0 FGADHM Cc1cc(CC(=O)Nc2sc(-c3ccccc3)cc2-c2nn[n-]n2)no1 ZINC000737261943 598905426 /nfs/dbraw/zinc/90/54/26/598905426.db2.gz ILOPVJATIRXBNQ-UHFFFAOYSA-N -1 3 366.406 3.073 20 0 FGADHM C[C@@H]1CCCC[C@@H]1CCNC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000736258881 598906815 /nfs/dbraw/zinc/90/68/15/598906815.db2.gz CCKAFPIGOSVNNR-GDBMZVCRSA-N -1 3 373.526 3.433 20 0 FGADHM C[C@@H]1CCCC[C@@H]1CCNC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000736258881 598906816 /nfs/dbraw/zinc/90/68/16/598906816.db2.gz CCKAFPIGOSVNNR-GDBMZVCRSA-N -1 3 373.526 3.433 20 0 FGADHM CC[C@H](NC(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)s1 ZINC000736363455 598907359 /nfs/dbraw/zinc/90/73/59/598907359.db2.gz OMCWKWAORUWMHI-LBPRGKRZSA-N -1 3 361.858 3.392 20 0 FGADHM CC[C@H](NC(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)s1 ZINC000736363455 598907360 /nfs/dbraw/zinc/90/73/60/598907360.db2.gz OMCWKWAORUWMHI-LBPRGKRZSA-N -1 3 361.858 3.392 20 0 FGADHM C[C@H]1C[C@H](NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)C[C@@H](C)C1 ZINC000736222608 598908085 /nfs/dbraw/zinc/90/80/85/598908085.db2.gz FDJIRMJVQPPWAM-HALDLXJZSA-N -1 3 368.485 3.365 20 0 FGADHM C[C@H]1C[C@H](NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)C[C@@H](C)C1 ZINC000736222608 598908086 /nfs/dbraw/zinc/90/80/86/598908086.db2.gz FDJIRMJVQPPWAM-HALDLXJZSA-N -1 3 368.485 3.365 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N(C)[C@@H]1CCc2ccccc2C1 ZINC000737292044 598923369 /nfs/dbraw/zinc/92/33/69/598923369.db2.gz QLNIDRQIEFPQGY-QGZVFWFLSA-N -1 3 362.437 3.196 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N(C)[C@@H]1CCc2ccccc2C1 ZINC000737292044 598923371 /nfs/dbraw/zinc/92/33/71/598923371.db2.gz QLNIDRQIEFPQGY-QGZVFWFLSA-N -1 3 362.437 3.196 20 0 FGADHM CC[C@@H](C)N(C)C(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000736322066 598926080 /nfs/dbraw/zinc/92/60/80/598926080.db2.gz HROFDHATJUIVOM-CQSZACIVSA-N -1 3 365.437 3.316 20 0 FGADHM CC[C@@H](C)N(C)C(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000736322066 598926081 /nfs/dbraw/zinc/92/60/81/598926081.db2.gz HROFDHATJUIVOM-CQSZACIVSA-N -1 3 365.437 3.316 20 0 FGADHM Clc1cc(-c2nnn[n-]2)cnc1Sc1nnc(-c2ccccc2)o1 ZINC000737562959 598936335 /nfs/dbraw/zinc/93/63/35/598936335.db2.gz BJONJNGIQQZULL-UHFFFAOYSA-N -1 3 357.786 3.116 20 0 FGADHM Clc1cc(-c2nn[n-]n2)cnc1Sc1nnc(-c2ccccc2)o1 ZINC000737562959 598936337 /nfs/dbraw/zinc/93/63/37/598936337.db2.gz BJONJNGIQQZULL-UHFFFAOYSA-N -1 3 357.786 3.116 20 0 FGADHM CC(C)C[C@@H]1CCCCCN1C(=O)COc1ccccc1-c1nnn[n-]1 ZINC000735794851 598941534 /nfs/dbraw/zinc/94/15/34/598941534.db2.gz GLQZMMQDDQDRAS-HNNXBMFYSA-N -1 3 357.458 3.063 20 0 FGADHM CC(C)C[C@@H]1CCCCCN1C(=O)COc1ccccc1-c1nn[n-]n1 ZINC000735794851 598941536 /nfs/dbraw/zinc/94/15/36/598941536.db2.gz GLQZMMQDDQDRAS-HNNXBMFYSA-N -1 3 357.458 3.063 20 0 FGADHM O=C(OC/C=C/Cl)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000738219767 598965749 /nfs/dbraw/zinc/96/57/49/598965749.db2.gz AVRSVHWMPZGCIC-RUDMXATFSA-N -1 3 370.796 3.355 20 0 FGADHM O=C(OC/C=C/Cl)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000738219767 598965751 /nfs/dbraw/zinc/96/57/51/598965751.db2.gz AVRSVHWMPZGCIC-RUDMXATFSA-N -1 3 370.796 3.355 20 0 FGADHM C/C=C\COC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000736301401 598964000 /nfs/dbraw/zinc/96/40/00/598964000.db2.gz AYEQNJUHURJCKS-IHWYPQMZSA-N -1 3 350.378 3.179 20 0 FGADHM C/C=C\COC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000736301401 598964002 /nfs/dbraw/zinc/96/40/02/598964002.db2.gz AYEQNJUHURJCKS-IHWYPQMZSA-N -1 3 350.378 3.179 20 0 FGADHM Cc1nnc(Nc2cccc(N3CCCCCC3)c2)c(-c2nnn[n-]2)c1C ZINC000737531934 598975491 /nfs/dbraw/zinc/97/54/91/598975491.db2.gz GYQXGXWNIRAQFM-UHFFFAOYSA-N -1 3 364.457 3.398 20 0 FGADHM Cc1nnc(Nc2cccc(N3CCCCCC3)c2)c(-c2nn[n-]n2)c1C ZINC000737531934 598975492 /nfs/dbraw/zinc/97/54/92/598975492.db2.gz GYQXGXWNIRAQFM-UHFFFAOYSA-N -1 3 364.457 3.398 20 0 FGADHM CC(C)CC[C@](C)(O)CNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000735797485 598974485 /nfs/dbraw/zinc/97/44/85/598974485.db2.gz PXWMGYCJZFUOAY-HNNXBMFYSA-N -1 3 357.380 3.485 20 0 FGADHM CC(C)CC[C@](C)(O)CNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000735797485 598974487 /nfs/dbraw/zinc/97/44/87/598974487.db2.gz PXWMGYCJZFUOAY-HNNXBMFYSA-N -1 3 357.380 3.485 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OCCOc1ccc(C(C)C)cc1 ZINC000737031719 598977511 /nfs/dbraw/zinc/97/75/11/598977511.db2.gz FDEMKHVKRCWMDQ-UHFFFAOYSA-N -1 3 354.410 3.457 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OCCOc1ccc(C(C)C)cc1 ZINC000737031719 598977512 /nfs/dbraw/zinc/97/75/12/598977512.db2.gz FDEMKHVKRCWMDQ-UHFFFAOYSA-N -1 3 354.410 3.457 20 0 FGADHM O=C(C[C@@H]1OCCc2ccccc21)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737821135 598982729 /nfs/dbraw/zinc/98/27/29/598982729.db2.gz VMRBYPSDFWCWLO-INIZCTEOSA-N -1 3 369.812 3.163 20 0 FGADHM O=C(C[C@@H]1OCCc2ccccc21)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737821135 598982730 /nfs/dbraw/zinc/98/27/30/598982730.db2.gz VMRBYPSDFWCWLO-INIZCTEOSA-N -1 3 369.812 3.163 20 0 FGADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NC[C@@H](C)C(C)(C)C ZINC000735736299 599006890 /nfs/dbraw/zinc/00/68/90/599006890.db2.gz RQRYOYPOFXFSSU-CJNGLKHVSA-N -1 3 359.474 3.069 20 0 FGADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NC[C@@H](C)C(C)(C)C ZINC000735736299 599006891 /nfs/dbraw/zinc/00/68/91/599006891.db2.gz RQRYOYPOFXFSSU-CJNGLKHVSA-N -1 3 359.474 3.069 20 0 FGADHM C[C@H](S[C@@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1 ZINC000736189790 599012909 /nfs/dbraw/zinc/01/29/09/599012909.db2.gz QYZDECCAYPOPER-ZUZCIYMTSA-N -1 3 357.414 3.027 20 0 FGADHM C[C@H](S[C@@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1 ZINC000736189790 599012911 /nfs/dbraw/zinc/01/29/11/599012911.db2.gz QYZDECCAYPOPER-ZUZCIYMTSA-N -1 3 357.414 3.027 20 0 FGADHM Cc1nn(-c2ccccc2)c(COc2cc(C)ccc2F)c1-c1nnn[n-]1 ZINC000737344855 599033581 /nfs/dbraw/zinc/03/35/81/599033581.db2.gz LEUINMUBGDICCC-UHFFFAOYSA-N -1 3 364.384 3.387 20 0 FGADHM O=C(Nc1sc(-c2ccccc2)cc1-c1nnn[n-]1)c1ccncc1F ZINC000738209636 599035241 /nfs/dbraw/zinc/03/52/41/599035241.db2.gz PYAKKDRSLKRMFA-UHFFFAOYSA-N -1 3 366.381 3.382 20 0 FGADHM O=C(Nc1sc(-c2ccccc2)cc1-c1nn[n-]n1)c1ccncc1F ZINC000738209636 599035244 /nfs/dbraw/zinc/03/52/44/599035244.db2.gz PYAKKDRSLKRMFA-UHFFFAOYSA-N -1 3 366.381 3.382 20 0 FGADHM Cc1ccccc1[C@H]1CN(c2ccc(-c3nnn[n-]3)c(Cl)c2)CCO1 ZINC000822352342 599036670 /nfs/dbraw/zinc/03/66/70/599036670.db2.gz XLXRGCDSHKQJTQ-QGZVFWFLSA-N -1 3 355.829 3.406 20 0 FGADHM Cc1ccccc1[C@H]1CN(c2ccc(-c3nn[n-]n3)c(Cl)c2)CCO1 ZINC000822352342 599036673 /nfs/dbraw/zinc/03/66/73/599036673.db2.gz XLXRGCDSHKQJTQ-QGZVFWFLSA-N -1 3 355.829 3.406 20 0 FGADHM CN(Cc1ccc(F)cc1F)c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000736819710 599040976 /nfs/dbraw/zinc/04/09/76/599040976.db2.gz NLAAEQKYRPSTNG-UHFFFAOYSA-N -1 3 370.285 3.195 20 0 FGADHM CN(Cc1ccc(F)cc1F)c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000736819710 599040977 /nfs/dbraw/zinc/04/09/77/599040977.db2.gz NLAAEQKYRPSTNG-UHFFFAOYSA-N -1 3 370.285 3.195 20 0 FGADHM CC1(C)[C@H](Nc2cc(-c3nnn[n-]3)c3ccccc3n2)[C@@H]2CCCO[C@H]21 ZINC000820585439 599043465 /nfs/dbraw/zinc/04/34/65/599043465.db2.gz NGCXLDQWMLFPHO-JCURWCKSSA-N -1 3 350.426 3.030 20 0 FGADHM CC1(C)[C@H](Nc2cc(-c3nn[n-]n3)c3ccccc3n2)[C@@H]2CCCO[C@H]21 ZINC000820585439 599043468 /nfs/dbraw/zinc/04/34/68/599043468.db2.gz NGCXLDQWMLFPHO-JCURWCKSSA-N -1 3 350.426 3.030 20 0 FGADHM CO[C@@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)c1ccc(Cl)cc1 ZINC000821678448 599046851 /nfs/dbraw/zinc/04/68/51/599046851.db2.gz NUYMMBZLXFFLAR-ZDUSSCGKSA-N -1 3 365.224 3.368 20 0 FGADHM CO[C@@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)c1ccc(Cl)cc1 ZINC000821678448 599046854 /nfs/dbraw/zinc/04/68/54/599046854.db2.gz NUYMMBZLXFFLAR-ZDUSSCGKSA-N -1 3 365.224 3.368 20 0 FGADHM Cc1cc(N2C[C@@H]3[C@H](C2)C3(C)C)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000822206210 599051341 /nfs/dbraw/zinc/05/13/41/599051341.db2.gz YCFQPTGSFNHUQA-BETUJISGSA-N -1 3 359.437 3.068 20 0 FGADHM Cc1cc(N2C[C@@H]3[C@H](C2)C3(C)C)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC000822206210 599051344 /nfs/dbraw/zinc/05/13/44/599051344.db2.gz YCFQPTGSFNHUQA-BETUJISGSA-N -1 3 359.437 3.068 20 0 FGADHM CCn1c(C)cc(C(=O)CSc2ccc(-c3nnn[n-]3)cc2F)c1C ZINC000736720678 599063311 /nfs/dbraw/zinc/06/33/11/599063311.db2.gz WLXZKFKURLQQIP-UHFFFAOYSA-N -1 3 359.430 3.419 20 0 FGADHM CCn1c(C)cc(C(=O)CSc2ccc(-c3nn[n-]n3)cc2F)c1C ZINC000736720678 599063314 /nfs/dbraw/zinc/06/33/14/599063314.db2.gz WLXZKFKURLQQIP-UHFFFAOYSA-N -1 3 359.430 3.419 20 0 FGADHM C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1C(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736236021 599090952 /nfs/dbraw/zinc/09/09/52/599090952.db2.gz QPZAMFULAIDMKE-SPYBWZPUSA-N -1 3 361.449 3.202 20 0 FGADHM C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1C(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736236021 599090956 /nfs/dbraw/zinc/09/09/56/599090956.db2.gz QPZAMFULAIDMKE-SPYBWZPUSA-N -1 3 361.449 3.202 20 0 FGADHM CC1(C)CCN(c2c(-c3nnn[n-]3)cnc3ccc(OC(F)F)cc32)C1 ZINC000820596905 599092607 /nfs/dbraw/zinc/09/26/07/599092607.db2.gz UGEFFSQNNGAZHB-UHFFFAOYSA-N -1 3 360.368 3.253 20 0 FGADHM CC1(C)CCN(c2c(-c3nn[n-]n3)cnc3ccc(OC(F)F)cc32)C1 ZINC000820596905 599092610 /nfs/dbraw/zinc/09/26/10/599092610.db2.gz UGEFFSQNNGAZHB-UHFFFAOYSA-N -1 3 360.368 3.253 20 0 FGADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCCC(C)(C)CC1 ZINC000735735710 599092917 /nfs/dbraw/zinc/09/29/17/599092917.db2.gz UJMMTMVGUCBGHT-KRWDZBQOSA-N -1 3 371.485 3.309 20 0 FGADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCCC(C)(C)CC1 ZINC000735735710 599092921 /nfs/dbraw/zinc/09/29/21/599092921.db2.gz UJMMTMVGUCBGHT-KRWDZBQOSA-N -1 3 371.485 3.309 20 0 FGADHM c1ccc2c(c1)CCO[C@@H]2CSCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000738442945 599100815 /nfs/dbraw/zinc/10/08/15/599100815.db2.gz SLVJBKCOKYGKTB-GOSISDBHSA-N -1 3 368.462 3.293 20 0 FGADHM Fc1ccc(NCCc2nc(C(F)(F)F)cs2)c(-c2nnn[n-]2)c1 ZINC000822782801 599105615 /nfs/dbraw/zinc/10/56/15/599105615.db2.gz HLQHELDIFNEGKQ-UHFFFAOYSA-N -1 3 358.324 3.136 20 0 FGADHM Fc1ccc(NCCc2nc(C(F)(F)F)cs2)c(-c2nn[n-]n2)c1 ZINC000822782801 599105616 /nfs/dbraw/zinc/10/56/16/599105616.db2.gz HLQHELDIFNEGKQ-UHFFFAOYSA-N -1 3 358.324 3.136 20 0 FGADHM O[C@H](C[C@H]1CCCN1c1ccc(F)cc1-c1nnn[n-]1)c1ccccc1 ZINC000823672677 599106486 /nfs/dbraw/zinc/10/64/86/599106486.db2.gz FXTHEULUQSUFAM-CRAIPNDOSA-N -1 3 353.401 3.098 20 0 FGADHM O[C@H](C[C@H]1CCCN1c1ccc(F)cc1-c1nn[n-]n1)c1ccccc1 ZINC000823672677 599106488 /nfs/dbraw/zinc/10/64/88/599106488.db2.gz FXTHEULUQSUFAM-CRAIPNDOSA-N -1 3 353.401 3.098 20 0 FGADHM O=C(CSc1ccccc1-c1nnn[n-]1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000737946145 599111851 /nfs/dbraw/zinc/11/18/51/599111851.db2.gz BFOAYXOPETYNRN-ZFWWWQNUSA-N -1 3 357.483 3.140 20 0 FGADHM O=C(CSc1ccccc1-c1nn[n-]n1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000737946145 599111854 /nfs/dbraw/zinc/11/18/54/599111854.db2.gz BFOAYXOPETYNRN-ZFWWWQNUSA-N -1 3 357.483 3.140 20 0 FGADHM Cc1ccccc1[C@H]1CN(Cc2cn3ccccc3c2-c2nnn[n-]2)CCO1 ZINC000737425185 599143217 /nfs/dbraw/zinc/14/32/17/599143217.db2.gz ZQCASNUQCGKZKC-LJQANCHMSA-N -1 3 374.448 3.001 20 0 FGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)Cc1cc(F)ccc1F ZINC000820151883 599143754 /nfs/dbraw/zinc/14/37/54/599143754.db2.gz PZFHPLJETBTKME-UHFFFAOYSA-N -1 3 373.363 3.113 20 0 FGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)Cc1cc(F)ccc1F ZINC000820151883 599143756 /nfs/dbraw/zinc/14/37/56/599143756.db2.gz PZFHPLJETBTKME-UHFFFAOYSA-N -1 3 373.363 3.113 20 0 FGADHM C[C@H](OC(=O)Cc1c[nH]c2ccc(F)cc12)c1cccc(-c2nnn[n-]2)c1 ZINC000736154933 599153239 /nfs/dbraw/zinc/15/32/39/599153239.db2.gz CWRYINSHLNKKEW-NSHDSACASA-N -1 3 365.368 3.334 20 0 FGADHM C[C@H](OC(=O)Cc1c[nH]c2ccc(F)cc12)c1cccc(-c2nn[n-]n2)c1 ZINC000736154933 599153240 /nfs/dbraw/zinc/15/32/40/599153240.db2.gz CWRYINSHLNKKEW-NSHDSACASA-N -1 3 365.368 3.334 20 0 FGADHM CCCn1c2ccc(F)cc2nc1-c1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000821142998 599155080 /nfs/dbraw/zinc/15/50/80/599155080.db2.gz NRXFGPDTJHGJEJ-UHFFFAOYSA-N -1 3 352.373 3.441 20 0 FGADHM CCCn1c2ccc(F)cc2nc1-c1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000821142998 599155083 /nfs/dbraw/zinc/15/50/83/599155083.db2.gz NRXFGPDTJHGJEJ-UHFFFAOYSA-N -1 3 352.373 3.441 20 0 FGADHM C[C@@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(=O)N(C)c1ccccc1 ZINC000736192198 599168582 /nfs/dbraw/zinc/16/85/82/599168582.db2.gz LKJJXVIBSHUBOO-LLVKDONJSA-N -1 3 357.414 3.149 20 0 FGADHM C[C@@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(=O)N(C)c1ccccc1 ZINC000736192198 599168585 /nfs/dbraw/zinc/16/85/85/599168585.db2.gz LKJJXVIBSHUBOO-LLVKDONJSA-N -1 3 357.414 3.149 20 0 FGADHM Cc1cc(NCCSCc2ccccc2-c2nnn[n-]2)nc(C2CC2)n1 ZINC000737281266 599168897 /nfs/dbraw/zinc/16/88/97/599168897.db2.gz SLXIZRCEPFNJGC-UHFFFAOYSA-N -1 3 367.482 3.188 20 0 FGADHM Cc1cc(NCCSCc2ccccc2-c2nn[n-]n2)nc(C2CC2)n1 ZINC000737281266 599168898 /nfs/dbraw/zinc/16/88/98/599168898.db2.gz SLXIZRCEPFNJGC-UHFFFAOYSA-N -1 3 367.482 3.188 20 0 FGADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(N2CCC[C@H]2c2ccco2)n1 ZINC000737632682 599170239 /nfs/dbraw/zinc/17/02/39/599170239.db2.gz MHGJHXIOIBMNGZ-JTQLQIEISA-N -1 3 350.304 3.215 20 0 FGADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(N2CCC[C@H]2c2ccco2)n1 ZINC000737632682 599170241 /nfs/dbraw/zinc/17/02/41/599170241.db2.gz MHGJHXIOIBMNGZ-JTQLQIEISA-N -1 3 350.304 3.215 20 0 FGADHM CCC[C@@H](C(=O)NCc1cc(-c2nnn[n-]2)ccc1F)c1ccccc1 ZINC000821008687 599179166 /nfs/dbraw/zinc/17/91/66/599179166.db2.gz JYJDSJIFBKTUBP-MRXNPFEDSA-N -1 3 353.401 3.206 20 0 FGADHM CCC[C@@H](C(=O)NCc1cc(-c2nn[n-]n2)ccc1F)c1ccccc1 ZINC000821008687 599179168 /nfs/dbraw/zinc/17/91/68/599179168.db2.gz JYJDSJIFBKTUBP-MRXNPFEDSA-N -1 3 353.401 3.206 20 0 FGADHM Cc1ccc(Br)cc1C(=O)Nc1sccc1-c1nnn[n-]1 ZINC000737306735 599179987 /nfs/dbraw/zinc/17/99/87/599179987.db2.gz REUQOYRDYNXYAV-UHFFFAOYSA-N -1 3 364.228 3.251 20 0 FGADHM Cc1ccc(Br)cc1C(=O)Nc1sccc1-c1nn[n-]n1 ZINC000737306735 599179989 /nfs/dbraw/zinc/17/99/89/599179989.db2.gz REUQOYRDYNXYAV-UHFFFAOYSA-N -1 3 364.228 3.251 20 0 FGADHM Cc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)o1 ZINC000737333151 599189126 /nfs/dbraw/zinc/18/91/26/599189126.db2.gz RRXBGMNXBIZENR-AWEZNQCLSA-N -1 3 356.361 3.276 20 0 FGADHM Cc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)o1 ZINC000737333151 599189128 /nfs/dbraw/zinc/18/91/28/599189128.db2.gz RRXBGMNXBIZENR-AWEZNQCLSA-N -1 3 356.361 3.276 20 0 FGADHM O=C(COc1ccccc1-c1nnn[n-]1)N1CCCC2(C1)CCCCCC2 ZINC000823049355 599202742 /nfs/dbraw/zinc/20/27/42/599202742.db2.gz DBTURLNYKWOWHY-UHFFFAOYSA-N -1 3 369.469 3.209 20 0 FGADHM O=C(COc1ccccc1-c1nn[n-]n1)N1CCCC2(C1)CCCCCC2 ZINC000823049355 599202743 /nfs/dbraw/zinc/20/27/43/599202743.db2.gz DBTURLNYKWOWHY-UHFFFAOYSA-N -1 3 369.469 3.209 20 0 FGADHM CCCCCC[C@@H](C)C(=O)N(CCOC)c1ccc(-c2nnn[n-]2)cc1 ZINC000736443589 599203240 /nfs/dbraw/zinc/20/32/40/599203240.db2.gz AJNYAFXKMRVEGZ-OAHLLOKOSA-N -1 3 359.474 3.453 20 0 FGADHM CCCCCC[C@@H](C)C(=O)N(CCOC)c1ccc(-c2nn[n-]n2)cc1 ZINC000736443589 599203243 /nfs/dbraw/zinc/20/32/43/599203243.db2.gz AJNYAFXKMRVEGZ-OAHLLOKOSA-N -1 3 359.474 3.453 20 0 FGADHM Cc1ccc2[nH]c(C(=O)OCc3cc(-c4nnn[n-]4)ccc3F)cc2c1C ZINC000737372238 599216537 /nfs/dbraw/zinc/21/65/37/599216537.db2.gz BQMGEQVONKRKLQ-UHFFFAOYSA-N -1 3 365.368 3.461 20 0 FGADHM Cc1ccc2[nH]c(C(=O)OCc3cc(-c4nn[n-]n4)ccc3F)cc2c1C ZINC000737372238 599216540 /nfs/dbraw/zinc/21/65/40/599216540.db2.gz BQMGEQVONKRKLQ-UHFFFAOYSA-N -1 3 365.368 3.461 20 0 FGADHM Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000822232995 599221556 /nfs/dbraw/zinc/22/15/56/599221556.db2.gz GDCKRUSIPVPPPC-MLGOLLRUSA-N -1 3 351.410 3.382 20 0 FGADHM Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822232995 599221559 /nfs/dbraw/zinc/22/15/59/599221559.db2.gz GDCKRUSIPVPPPC-MLGOLLRUSA-N -1 3 351.410 3.382 20 0 FGADHM O=C(CSc1cccs1)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000737946152 599223168 /nfs/dbraw/zinc/22/31/68/599223168.db2.gz BIBMPINTCGSHHO-UHFFFAOYSA-N -1 3 351.844 3.312 20 0 FGADHM O=C(CSc1cccs1)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000737946152 599223171 /nfs/dbraw/zinc/22/31/71/599223171.db2.gz BIBMPINTCGSHHO-UHFFFAOYSA-N -1 3 351.844 3.312 20 0 FGADHM CC(C)Oc1ccc(OC(=O)CSc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735913740 599223406 /nfs/dbraw/zinc/22/34/06/599223406.db2.gz POMNGOWFLISJPR-UHFFFAOYSA-N -1 3 370.434 3.352 20 0 FGADHM CC(C)Oc1ccc(OC(=O)CSc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735913740 599223409 /nfs/dbraw/zinc/22/34/09/599223409.db2.gz POMNGOWFLISJPR-UHFFFAOYSA-N -1 3 370.434 3.352 20 0 FGADHM CCC1CCC(N(C(=O)c2ncc(-c3nnn[n-]3)cc2Cl)C2CC2)CC1 ZINC000820972104 607262793 /nfs/dbraw/zinc/26/27/93/607262793.db2.gz KXZPFDNNXNCVBN-UHFFFAOYSA-N -1 3 374.876 3.489 20 0 FGADHM CCC1CCC(N(C(=O)c2ncc(-c3nn[n-]n3)cc2Cl)C2CC2)CC1 ZINC000820972104 607262794 /nfs/dbraw/zinc/26/27/94/607262794.db2.gz KXZPFDNNXNCVBN-UHFFFAOYSA-N -1 3 374.876 3.489 20 0 FGADHM CC[C@@H]1CCCN(C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)CC1 ZINC000736401029 599239991 /nfs/dbraw/zinc/23/99/91/599239991.db2.gz GBEVRGRFRBFUEA-CYBMUJFWSA-N -1 3 359.478 3.467 20 0 FGADHM CC[C@@H]1CCCN(C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)CC1 ZINC000736401029 599239993 /nfs/dbraw/zinc/23/99/93/599239993.db2.gz GBEVRGRFRBFUEA-CYBMUJFWSA-N -1 3 359.478 3.467 20 0 FGADHM Cc1c(NC(=O)C[C@H](C)C(=O)c2cccc(F)c2)cccc1-c1nnn[n-]1 ZINC000822066759 607269575 /nfs/dbraw/zinc/26/95/75/607269575.db2.gz HFQWZJSZLGFKHY-NSHDSACASA-N -1 3 367.384 3.162 20 0 FGADHM Cc1c(NC(=O)C[C@H](C)C(=O)c2cccc(F)c2)cccc1-c1nn[n-]n1 ZINC000822066759 607269576 /nfs/dbraw/zinc/26/95/76/607269576.db2.gz HFQWZJSZLGFKHY-NSHDSACASA-N -1 3 367.384 3.162 20 0 FGADHM Cc1c(NC(=O)C[C@@H](C)C(=O)c2cccc(F)c2)cccc1-c1nnn[n-]1 ZINC000822066734 607269625 /nfs/dbraw/zinc/26/96/25/607269625.db2.gz HFQWZJSZLGFKHY-LLVKDONJSA-N -1 3 367.384 3.162 20 0 FGADHM Cc1c(NC(=O)C[C@@H](C)C(=O)c2cccc(F)c2)cccc1-c1nn[n-]n1 ZINC000822066734 607269626 /nfs/dbraw/zinc/26/96/26/607269626.db2.gz HFQWZJSZLGFKHY-LLVKDONJSA-N -1 3 367.384 3.162 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)C=Cc1ccnc2ccccc12 ZINC000737023145 599246314 /nfs/dbraw/zinc/24/63/14/599246314.db2.gz CGBYMWZGKPFJRI-VQHVLOKHSA-N -1 3 373.372 3.042 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)C=Cc1ccnc2ccccc12 ZINC000737023145 599246316 /nfs/dbraw/zinc/24/63/16/599246316.db2.gz CGBYMWZGKPFJRI-VQHVLOKHSA-N -1 3 373.372 3.042 20 0 FGADHM CCC1(CC)[C@H](N(C)C(=O)Nc2cccc(-c3nnn[n-]3)c2C)C[C@@H]1OC ZINC000820957401 607279355 /nfs/dbraw/zinc/27/93/55/607279355.db2.gz OTIWSKYURCHPLX-CVEARBPZSA-N -1 3 372.473 3.233 20 0 FGADHM CCC1(CC)[C@H](N(C)C(=O)Nc2cccc(-c3nn[n-]n3)c2C)C[C@@H]1OC ZINC000820957401 607279356 /nfs/dbraw/zinc/27/93/56/607279356.db2.gz OTIWSKYURCHPLX-CVEARBPZSA-N -1 3 372.473 3.233 20 0 FGADHM C[C@@H](NC(=O)Nc1nc(C2CC2)cs1)c1cccc(-c2nnn[n-]2)c1 ZINC000820380262 599251235 /nfs/dbraw/zinc/25/12/35/599251235.db2.gz OPRGMMQBDWNELK-SECBINFHSA-N -1 3 355.427 3.083 20 0 FGADHM C[C@@H](NC(=O)Nc1nc(C2CC2)cs1)c1cccc(-c2nn[n-]n2)c1 ZINC000820380262 599251236 /nfs/dbraw/zinc/25/12/36/599251236.db2.gz OPRGMMQBDWNELK-SECBINFHSA-N -1 3 355.427 3.083 20 0 FGADHM Cc1c(NC(=O)N2CC[C@@](C)(c3ccccc3)C2)cccc1-c1nnn[n-]1 ZINC000822084880 607282120 /nfs/dbraw/zinc/28/21/20/607282120.db2.gz RDJDTVUGRCBBFG-HXUWFJFHSA-N -1 3 362.437 3.371 20 0 FGADHM Cc1c(NC(=O)N2CC[C@@](C)(c3ccccc3)C2)cccc1-c1nn[n-]n1 ZINC000822084880 607282121 /nfs/dbraw/zinc/28/21/21/607282121.db2.gz RDJDTVUGRCBBFG-HXUWFJFHSA-N -1 3 362.437 3.371 20 0 FGADHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2NCc1ccc(F)cc1 ZINC000737262527 599253448 /nfs/dbraw/zinc/25/34/48/599253448.db2.gz IVFDKTNFDUACTG-UHFFFAOYSA-N -1 3 352.348 3.036 20 0 FGADHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2NCc1ccc(F)cc1 ZINC000737262527 599253451 /nfs/dbraw/zinc/25/34/51/599253451.db2.gz IVFDKTNFDUACTG-UHFFFAOYSA-N -1 3 352.348 3.036 20 0 FGADHM CN(C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1)C1CCC1 ZINC000821571772 599254820 /nfs/dbraw/zinc/25/48/20/599254820.db2.gz DZDBINDFQGWLRN-UHFFFAOYSA-N -1 3 365.397 3.070 20 0 FGADHM Cc1c(NC(=O)NCCOc2ccc(Cl)cc2)cccc1-c1nnn[n-]1 ZINC000822097017 607283233 /nfs/dbraw/zinc/28/32/33/607283233.db2.gz SAXBZDQXUKZNLC-UHFFFAOYSA-N -1 3 372.816 3.029 20 0 FGADHM Cc1c(NC(=O)NCCOc2ccc(Cl)cc2)cccc1-c1nn[n-]n1 ZINC000822097017 607283234 /nfs/dbraw/zinc/28/32/34/607283234.db2.gz SAXBZDQXUKZNLC-UHFFFAOYSA-N -1 3 372.816 3.029 20 0 FGADHM Cc1c(NC(=O)NC[C@@H](C)c2ccc(F)cc2)cccc1-c1nnn[n-]1 ZINC000822095681 607284829 /nfs/dbraw/zinc/28/48/29/607284829.db2.gz GPPRMONWOUQNEA-LLVKDONJSA-N -1 3 354.389 3.239 20 0 FGADHM Cc1c(NC(=O)NC[C@@H](C)c2ccc(F)cc2)cccc1-c1nn[n-]n1 ZINC000822095681 607284830 /nfs/dbraw/zinc/28/48/30/607284830.db2.gz GPPRMONWOUQNEA-LLVKDONJSA-N -1 3 354.389 3.239 20 0 FGADHM Cc1csc(CCCCNC(=O)Nc2cccc(-c3nnn[n-]3)c2C)n1 ZINC000822409324 607285038 /nfs/dbraw/zinc/28/50/38/607285038.db2.gz PXSZRMKPUPNDAM-UHFFFAOYSA-N -1 3 371.470 3.084 20 0 FGADHM Cc1csc(CCCCNC(=O)Nc2cccc(-c3nn[n-]n3)c2C)n1 ZINC000822409324 607285039 /nfs/dbraw/zinc/28/50/39/607285039.db2.gz PXSZRMKPUPNDAM-UHFFFAOYSA-N -1 3 371.470 3.084 20 0 FGADHM CCc1ncsc1C(=O)N(CC)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825755333 608345863 /nfs/dbraw/zinc/34/58/63/608345863.db2.gz UFURIBYMDARLHZ-UHFFFAOYSA-N -1 3 362.846 3.206 20 0 FGADHM CCc1ncsc1C(=O)N(CC)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825755333 608345864 /nfs/dbraw/zinc/34/58/64/608345864.db2.gz UFURIBYMDARLHZ-UHFFFAOYSA-N -1 3 362.846 3.206 20 0 FGADHM Cc1c(NC(=O)N[C@@H]2CCCOc3ccccc32)cccc1-c1nnn[n-]1 ZINC000822090719 607286670 /nfs/dbraw/zinc/28/66/70/607286670.db2.gz MGOQRWSIEZQOMF-MRXNPFEDSA-N -1 3 364.409 3.211 20 0 FGADHM Cc1c(NC(=O)N[C@@H]2CCCOc3ccccc32)cccc1-c1nn[n-]n1 ZINC000822090719 607286671 /nfs/dbraw/zinc/28/66/71/607286671.db2.gz MGOQRWSIEZQOMF-MRXNPFEDSA-N -1 3 364.409 3.211 20 0 FGADHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2N[C@H](C)CCc1ccco1 ZINC000737262501 599259277 /nfs/dbraw/zinc/25/92/77/599259277.db2.gz IEHLYLQRLLODFC-GFCCVEGCSA-N -1 3 366.400 3.311 20 0 FGADHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2N[C@H](C)CCc1ccco1 ZINC000737262501 599259279 /nfs/dbraw/zinc/25/92/79/599259279.db2.gz IEHLYLQRLLODFC-GFCCVEGCSA-N -1 3 366.400 3.311 20 0 FGADHM CCC(CC)(CNC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)SC ZINC000820887770 599260032 /nfs/dbraw/zinc/26/00/32/599260032.db2.gz PWRVSHQRGFULTE-LBPRGKRZSA-N -1 3 362.503 3.149 20 0 FGADHM CCC(CC)(CNC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)SC ZINC000820887770 599260033 /nfs/dbraw/zinc/26/00/33/599260033.db2.gz PWRVSHQRGFULTE-LBPRGKRZSA-N -1 3 362.503 3.149 20 0 FGADHM CC(C)C1CCC(CNC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)CC1 ZINC000820038793 607296894 /nfs/dbraw/zinc/29/68/94/607296894.db2.gz RSYQKESLSGAGSY-UHFFFAOYSA-N -1 3 363.412 3.337 20 0 FGADHM CC(C)C1CCC(CNC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CC1 ZINC000820038793 607296895 /nfs/dbraw/zinc/29/68/95/607296895.db2.gz RSYQKESLSGAGSY-UHFFFAOYSA-N -1 3 363.412 3.337 20 0 FGADHM COc1ccc(CNc2ccc(N3CCCC3)cc2)cc1-c1nnn[n-]1 ZINC000821821665 607307800 /nfs/dbraw/zinc/30/78/00/607307800.db2.gz QAOYZGSUQCEQBW-UHFFFAOYSA-N -1 3 350.426 3.088 20 0 FGADHM COc1ccc(CNc2ccc(N3CCCC3)cc2)cc1-c1nn[n-]n1 ZINC000821821665 607307801 /nfs/dbraw/zinc/30/78/01/607307801.db2.gz QAOYZGSUQCEQBW-UHFFFAOYSA-N -1 3 350.426 3.088 20 0 FGADHM Cc1ccc(NCc2ccc(-c3nnn[n-]3)s2)c(OC[C@@H]2CCCO2)c1 ZINC000822254146 607309979 /nfs/dbraw/zinc/30/99/79/607309979.db2.gz BDGOLICNYHNHLO-ZDUSSCGKSA-N -1 3 371.466 3.407 20 0 FGADHM C[C@@H]1CN(c2ccc(NCc3cccc(-c4nnn[n-]4)c3)cc2)C[C@H](C)O1 ZINC000820777595 607315031 /nfs/dbraw/zinc/31/50/31/607315031.db2.gz TVPFVYIVRZBCLE-GASCZTMLSA-N -1 3 364.453 3.092 20 0 FGADHM C[C@@H]1CN(c2ccc(NCc3cccc(-c4nn[n-]n4)c3)cc2)C[C@H](C)O1 ZINC000820777595 607315032 /nfs/dbraw/zinc/31/50/32/607315032.db2.gz TVPFVYIVRZBCLE-GASCZTMLSA-N -1 3 364.453 3.092 20 0 FGADHM CCC[C@]1(C)CCCN(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC)C1 ZINC000821028482 599271707 /nfs/dbraw/zinc/27/17/07/599271707.db2.gz XHNOWQAEGUXVCI-GOSISDBHSA-N -1 3 358.446 3.309 20 0 FGADHM CCC[C@]1(C)CCCN(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC)C1 ZINC000821028482 599271709 /nfs/dbraw/zinc/27/17/09/599271709.db2.gz XHNOWQAEGUXVCI-GOSISDBHSA-N -1 3 358.446 3.309 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NC[C@H](C)c1ccc(F)cc1F ZINC000822220223 599273815 /nfs/dbraw/zinc/27/38/15/599273815.db2.gz IZAICZYRZNSMSU-NSHDSACASA-N -1 3 372.379 3.379 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NC[C@H](C)c1ccc(F)cc1F ZINC000822220223 599273817 /nfs/dbraw/zinc/27/38/17/599273817.db2.gz IZAICZYRZNSMSU-NSHDSACASA-N -1 3 372.379 3.379 20 0 FGADHM C[C@@H](CNC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)Sc1ccccc1 ZINC000820270079 599278999 /nfs/dbraw/zinc/27/89/99/599278999.db2.gz URFUORTUHDEEJO-NSHDSACASA-N -1 3 372.429 3.308 20 0 FGADHM C[C@@H](CNC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)Sc1ccccc1 ZINC000820270079 599279002 /nfs/dbraw/zinc/27/90/02/599279002.db2.gz URFUORTUHDEEJO-NSHDSACASA-N -1 3 372.429 3.308 20 0 FGADHM C[C@@H](OC(=O)C[C@H]1CCOc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000736150485 599281878 /nfs/dbraw/zinc/28/18/78/599281878.db2.gz OCAWYBGHGBZMNG-UKRRQHHQSA-N -1 3 364.405 3.427 20 0 FGADHM C[C@@H](OC(=O)C[C@H]1CCOc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000736150485 599281881 /nfs/dbraw/zinc/28/18/81/599281881.db2.gz OCAWYBGHGBZMNG-UKRRQHHQSA-N -1 3 364.405 3.427 20 0 FGADHM Cc1cc2cc(NC(=O)NCc3cc(-c4nnn[n-]4)ccc3F)ccc2[nH]1 ZINC000822212943 599281920 /nfs/dbraw/zinc/28/19/20/599281920.db2.gz NSXNYOHCHQJINI-UHFFFAOYSA-N -1 3 365.372 3.117 20 0 FGADHM Cc1cc2cc(NC(=O)NCc3cc(-c4nn[n-]n4)ccc3F)ccc2[nH]1 ZINC000822212943 599281924 /nfs/dbraw/zinc/28/19/24/599281924.db2.gz NSXNYOHCHQJINI-UHFFFAOYSA-N -1 3 365.372 3.117 20 0 FGADHM C[C@@H](Sc1nnc(-c2ccncc2)o1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736191040 599286977 /nfs/dbraw/zinc/28/69/77/599286977.db2.gz HDVBMBRVWLVPBD-SNVBAGLBSA-N -1 3 351.395 3.165 20 0 FGADHM C[C@@H](Sc1nnc(-c2ccncc2)o1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736191040 599286979 /nfs/dbraw/zinc/28/69/79/599286979.db2.gz HDVBMBRVWLVPBD-SNVBAGLBSA-N -1 3 351.395 3.165 20 0 FGADHM COc1ccc2nc(C)c(C(=O)Nc3cccc(-c4nnn[n-]4)c3C)cc2c1 ZINC000821854442 607321245 /nfs/dbraw/zinc/32/12/45/607321245.db2.gz JWHFZFIENHKVHO-UHFFFAOYSA-N -1 3 374.404 3.293 20 0 FGADHM COc1ccc2nc(C)c(C(=O)Nc3cccc(-c4nn[n-]n4)c3C)cc2c1 ZINC000821854442 607321246 /nfs/dbraw/zinc/32/12/46/607321246.db2.gz JWHFZFIENHKVHO-UHFFFAOYSA-N -1 3 374.404 3.293 20 0 FGADHM CC[C@H]1Oc2cc([C@@H](C)NCc3cccc(C(=O)[O-])c3)ccc2NC1=O ZINC000263421874 598204251 /nfs/dbraw/zinc/20/42/51/598204251.db2.gz PDZVVBDUFIKMAJ-SJKOYZFVSA-N -1 3 354.406 3.345 20 0 FGADHM CS[C@H](C)C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737169617 598232593 /nfs/dbraw/zinc/23/25/93/598232593.db2.gz CBIIGTQDMKHLRD-LLVKDONJSA-N -1 3 355.423 3.349 20 0 FGADHM CS[C@H](C)C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737169617 598232594 /nfs/dbraw/zinc/23/25/94/598232594.db2.gz CBIIGTQDMKHLRD-LLVKDONJSA-N -1 3 355.423 3.349 20 0 FGADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)N[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000737963225 598232667 /nfs/dbraw/zinc/23/26/67/598232667.db2.gz SRUPXYOKDUZLMY-LJQANCHMSA-N -1 3 365.412 3.206 20 0 FGADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)N[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000737963225 598232669 /nfs/dbraw/zinc/23/26/69/598232669.db2.gz SRUPXYOKDUZLMY-LJQANCHMSA-N -1 3 365.412 3.206 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1N1CCC(OCc2ccccc2)CC1 ZINC000737640777 598236374 /nfs/dbraw/zinc/23/63/74/598236374.db2.gz PZPOATXJZVXUSU-UHFFFAOYSA-N -1 3 353.401 3.191 20 0 FGADHM CCCOc1ccc(CNc2ccc(-c3nn[n-]n3)cc2F)cc1OC ZINC000736491219 598236767 /nfs/dbraw/zinc/23/67/67/598236767.db2.gz UYJASITVZISEGN-UHFFFAOYSA-N -1 3 357.389 3.415 20 0 FGADHM Cc1ccccc1C1(CNc2ccc(-c3nn[n-]n3)cc2F)CCOCC1 ZINC000737420500 598241702 /nfs/dbraw/zinc/24/17/02/598241702.db2.gz JJWAQBGZWRWLGX-UHFFFAOYSA-N -1 3 367.428 3.475 20 0 FGADHM C[C@@H](c1c(F)cccc1F)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000736199294 598251440 /nfs/dbraw/zinc/25/14/40/598251440.db2.gz WYJOWIDBMLHVPM-ZDUSSCGKSA-N -1 3 370.407 3.028 20 0 FGADHM C[C@@H](c1c(F)cccc1F)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000736199294 598251442 /nfs/dbraw/zinc/25/14/42/598251442.db2.gz WYJOWIDBMLHVPM-ZDUSSCGKSA-N -1 3 370.407 3.028 20 0 FGADHM C[C@H](c1ccc(F)cc1)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000736197895 598255962 /nfs/dbraw/zinc/25/59/62/598255962.db2.gz CWNWRUKMKZJXCK-CYBMUJFWSA-N -1 3 370.407 3.028 20 0 FGADHM Cc1cccc2c1CC[C@H]2NC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737409506 598256070 /nfs/dbraw/zinc/25/60/70/598256070.db2.gz OUTJAOUOWYYTRF-FZKQIMNGSA-N -1 3 362.437 3.223 20 0 FGADHM Cc1cccc2c1CC[C@H]2NC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737409506 598256071 /nfs/dbraw/zinc/25/60/71/598256071.db2.gz OUTJAOUOWYYTRF-FZKQIMNGSA-N -1 3 362.437 3.223 20 0 FGADHM CCN(CCOc1cccc(-c2nnn[n-]2)c1)Cc1c(F)cccc1F ZINC000736541186 598257555 /nfs/dbraw/zinc/25/75/55/598257555.db2.gz FKLDKOXJCSORGP-UHFFFAOYSA-N -1 3 359.380 3.046 20 0 FGADHM CCN(CCOc1cccc(-c2nn[n-]n2)c1)Cc1c(F)cccc1F ZINC000736541186 598257556 /nfs/dbraw/zinc/25/75/56/598257556.db2.gz FKLDKOXJCSORGP-UHFFFAOYSA-N -1 3 359.380 3.046 20 0 FGADHM O=C(NCc1ccc2ccccc2c1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738113167 598268020 /nfs/dbraw/zinc/26/80/20/598268020.db2.gz VQGPCAUFNVJBGM-UHFFFAOYSA-N -1 3 362.368 3.481 20 0 FGADHM O=C(NCc1ccc2ccccc2c1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738113167 598268021 /nfs/dbraw/zinc/26/80/21/598268021.db2.gz VQGPCAUFNVJBGM-UHFFFAOYSA-N -1 3 362.368 3.481 20 0 FGADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1ccc2ccccc2c1 ZINC000736818685 598271516 /nfs/dbraw/zinc/27/15/16/598271516.db2.gz UTGUDSIGEWLXBO-UHFFFAOYSA-N -1 3 372.432 3.362 20 0 FGADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1ccc2ccccc2c1 ZINC000736818685 598271518 /nfs/dbraw/zinc/27/15/18/598271518.db2.gz UTGUDSIGEWLXBO-UHFFFAOYSA-N -1 3 372.432 3.362 20 0 FGADHM Cc1ccc(CNC(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)cc1F ZINC000737342787 598276974 /nfs/dbraw/zinc/27/69/74/598276974.db2.gz PSXFXVODYOBBCD-UHFFFAOYSA-N -1 3 371.420 3.192 20 0 FGADHM Cc1ccc(CNC(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)cc1F ZINC000737342787 598276976 /nfs/dbraw/zinc/27/69/76/598276976.db2.gz PSXFXVODYOBBCD-UHFFFAOYSA-N -1 3 371.420 3.192 20 0 FGADHM O=C(Cc1ccccc1C(F)(F)F)Nc1sccc1-c1nnn[n-]1 ZINC000737974231 598278416 /nfs/dbraw/zinc/27/84/16/598278416.db2.gz KPFATCJZVHSIHR-UHFFFAOYSA-N -1 3 353.329 3.128 20 0 FGADHM O=C(Cc1ccccc1C(F)(F)F)Nc1sccc1-c1nn[n-]n1 ZINC000737974231 598278418 /nfs/dbraw/zinc/27/84/18/598278418.db2.gz KPFATCJZVHSIHR-UHFFFAOYSA-N -1 3 353.329 3.128 20 0 FGADHM CN(C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000736733471 598278945 /nfs/dbraw/zinc/27/89/45/598278945.db2.gz VTGDIYRCBLVVCK-UONOGXRCSA-N -1 3 371.803 3.426 20 0 FGADHM CN(C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736733471 598278946 /nfs/dbraw/zinc/27/89/46/598278946.db2.gz VTGDIYRCBLVVCK-UONOGXRCSA-N -1 3 371.803 3.426 20 0 FGADHM CC(C)C[C@H]1CCCN1C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000735794921 598280423 /nfs/dbraw/zinc/28/04/23/598280423.db2.gz ICNZCIGJNONOKK-CQSZACIVSA-N -1 3 359.478 3.466 20 0 FGADHM CC(C)C[C@H]1CCCN1C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000735794921 598280424 /nfs/dbraw/zinc/28/04/24/598280424.db2.gz ICNZCIGJNONOKK-CQSZACIVSA-N -1 3 359.478 3.466 20 0 FGADHM CC(C)N(Cc1ccco1)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000735874860 598280587 /nfs/dbraw/zinc/28/05/87/598280587.db2.gz HZAMMEJHYZHMSD-UHFFFAOYSA-N -1 3 371.445 3.459 20 0 FGADHM CC(C)N(Cc1ccco1)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000735874860 598280589 /nfs/dbraw/zinc/28/05/89/598280589.db2.gz HZAMMEJHYZHMSD-UHFFFAOYSA-N -1 3 371.445 3.459 20 0 FGADHM Cc1ccccc1N(C(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC000737428889 598297714 /nfs/dbraw/zinc/29/77/14/598297714.db2.gz XBBBECQSSGYHBA-HNNXBMFYSA-N -1 3 365.437 3.384 20 0 FGADHM Cc1ccccc1N(C(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1)C(C)C ZINC000737428889 598297716 /nfs/dbraw/zinc/29/77/16/598297716.db2.gz XBBBECQSSGYHBA-HNNXBMFYSA-N -1 3 365.437 3.384 20 0 FGADHM Cc1nnc(NCc2cccc(COC(C)(C)C)c2)c(-c2nnn[n-]2)c1C ZINC000737531977 598299192 /nfs/dbraw/zinc/29/91/92/598299192.db2.gz HSHXCUNSVPIRIG-UHFFFAOYSA-N -1 3 367.457 3.201 20 0 FGADHM Cc1nnc(NCc2cccc(COC(C)(C)C)c2)c(-c2nn[n-]n2)c1C ZINC000737531977 598299195 /nfs/dbraw/zinc/29/91/95/598299195.db2.gz HSHXCUNSVPIRIG-UHFFFAOYSA-N -1 3 367.457 3.201 20 0 FGADHM CC(C)Sc1ccccc1C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000735921015 598304622 /nfs/dbraw/zinc/30/46/22/598304622.db2.gz FHRPHQUSPHMVLP-UHFFFAOYSA-N -1 3 371.441 3.436 20 0 FGADHM CC(C)Sc1ccccc1C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000735921015 598304624 /nfs/dbraw/zinc/30/46/24/598304624.db2.gz FHRPHQUSPHMVLP-UHFFFAOYSA-N -1 3 371.441 3.436 20 0 FGADHM Cc1csc(=Nc2ccc(-c3nnn[n-]3)c(Cl)c2)n1CC(F)(F)F ZINC000737447936 598314737 /nfs/dbraw/zinc/31/47/37/598314737.db2.gz HFYUWLNVSIBXTD-UHFFFAOYSA-N -1 3 374.779 3.486 20 0 FGADHM Cc1csc(=Nc2ccc(-c3nn[n-]n3)c(Cl)c2)n1CC(F)(F)F ZINC000737447936 598314738 /nfs/dbraw/zinc/31/47/38/598314738.db2.gz HFYUWLNVSIBXTD-UHFFFAOYSA-N -1 3 374.779 3.486 20 0 FGADHM Cc1c2c(nc(SCc3cn4ccsc4n3)c1-c1nnn[n-]1)CCC2 ZINC000737220601 598315671 /nfs/dbraw/zinc/31/56/71/598315671.db2.gz ZVHMFRQVPFVYPH-UHFFFAOYSA-N -1 3 369.479 3.060 20 0 FGADHM Cc1c2c(nc(SCc3cn4ccsc4n3)c1-c1nn[n-]n1)CCC2 ZINC000737220601 598315673 /nfs/dbraw/zinc/31/56/73/598315673.db2.gz ZVHMFRQVPFVYPH-UHFFFAOYSA-N -1 3 369.479 3.060 20 0 FGADHM C[C@@H]1C[C@H](C)CN(C(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000736226157 598317047 /nfs/dbraw/zinc/31/70/47/598317047.db2.gz VVCTWJHYMMSIOX-AOOOYVTPSA-N -1 3 350.879 3.195 20 0 FGADHM C[C@@H]1C[C@H](C)CN(C(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000736226157 598317048 /nfs/dbraw/zinc/31/70/48/598317048.db2.gz VVCTWJHYMMSIOX-AOOOYVTPSA-N -1 3 350.879 3.195 20 0 FGADHM S=C(NCCC1CCCC1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000738401799 598319718 /nfs/dbraw/zinc/31/97/18/598319718.db2.gz UJXJXRGCYMFYFG-UHFFFAOYSA-N -1 3 350.879 3.387 20 0 FGADHM S=C(NCCC1CCCC1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000738401799 598319720 /nfs/dbraw/zinc/31/97/20/598319720.db2.gz UJXJXRGCYMFYFG-UHFFFAOYSA-N -1 3 350.879 3.387 20 0 FGADHM CN(C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccc(F)cc1 ZINC000736741846 598320746 /nfs/dbraw/zinc/32/07/46/598320746.db2.gz UILKUPWIAHDGHV-UHFFFAOYSA-N -1 3 362.821 3.492 20 0 FGADHM CN(C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc(F)cc1 ZINC000736741846 598320748 /nfs/dbraw/zinc/32/07/48/598320748.db2.gz UILKUPWIAHDGHV-UHFFFAOYSA-N -1 3 362.821 3.492 20 0 FGADHM CC(C)(C)c1nc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCC3)cs1 ZINC000735655994 598324996 /nfs/dbraw/zinc/32/49/96/598324996.db2.gz FDJLURFDKLRIOO-UHFFFAOYSA-N -1 3 374.495 3.423 20 0 FGADHM CC(C)(C)c1nc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)cs1 ZINC000735655994 598324997 /nfs/dbraw/zinc/32/49/97/598324997.db2.gz FDJLURFDKLRIOO-UHFFFAOYSA-N -1 3 374.495 3.423 20 0 FGADHM C[C@H]1CCCCN1C(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000736268266 598325588 /nfs/dbraw/zinc/32/55/88/598325588.db2.gz RTFWQLFBNPKZQW-ZDUSSCGKSA-N -1 3 367.409 3.053 20 0 FGADHM C[C@H]1CCCCN1C(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000736268266 598325589 /nfs/dbraw/zinc/32/55/89/598325589.db2.gz RTFWQLFBNPKZQW-ZDUSSCGKSA-N -1 3 367.409 3.053 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1csc(C(C)(C)C)n1 ZINC000736634517 598327723 /nfs/dbraw/zinc/32/77/23/598327723.db2.gz JOTWCDWIYZUQJV-UHFFFAOYSA-N -1 3 372.454 3.272 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@H]1CCCc2sccc21 ZINC000821388989 607349272 /nfs/dbraw/zinc/34/92/72/607349272.db2.gz DKZOBZDQYMSNKE-ZDUSSCGKSA-N -1 3 370.434 3.352 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@H]1CCCc2sccc21 ZINC000821388989 607349274 /nfs/dbraw/zinc/34/92/74/607349274.db2.gz DKZOBZDQYMSNKE-ZDUSSCGKSA-N -1 3 370.434 3.352 20 0 FGADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)c1ccc(F)cc1C ZINC000821699112 607349308 /nfs/dbraw/zinc/34/93/08/607349308.db2.gz CDOJVAJKUDBCFJ-UHFFFAOYSA-N -1 3 362.748 3.195 20 0 FGADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)c1ccc(F)cc1C ZINC000821699112 607349309 /nfs/dbraw/zinc/34/93/09/607349309.db2.gz CDOJVAJKUDBCFJ-UHFFFAOYSA-N -1 3 362.748 3.195 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C1(c2ccccc2C)CC1 ZINC000736637661 598380221 /nfs/dbraw/zinc/38/02/21/598380221.db2.gz XRWHAMOJHIWOIN-UHFFFAOYSA-N -1 3 363.421 3.244 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C1(c2ccccc2C)CC1 ZINC000736637661 598380222 /nfs/dbraw/zinc/38/02/22/598380222.db2.gz XRWHAMOJHIWOIN-UHFFFAOYSA-N -1 3 363.421 3.244 20 0 FGADHM COc1ccc(Cl)cc1CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC000737100661 598390599 /nfs/dbraw/zinc/39/05/99/598390599.db2.gz ZKNHWIMXTJIOQC-UHFFFAOYSA-N -1 3 351.197 3.189 20 0 FGADHM COc1ccc(Cl)cc1CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC000737100661 598390601 /nfs/dbraw/zinc/39/06/01/598390601.db2.gz ZKNHWIMXTJIOQC-UHFFFAOYSA-N -1 3 351.197 3.189 20 0 FGADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)[C@@H]2C[C@H]2c2cccc(OC)c2)s1 ZINC000736679065 598395636 /nfs/dbraw/zinc/39/56/36/598395636.db2.gz JSXAMZGEEOLDIP-UONOGXRCSA-N -1 3 369.450 3.241 20 0 FGADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)[C@@H]2C[C@H]2c2cccc(OC)c2)s1 ZINC000736679065 598395637 /nfs/dbraw/zinc/39/56/37/598395637.db2.gz JSXAMZGEEOLDIP-UONOGXRCSA-N -1 3 369.450 3.241 20 0 FGADHM CCc1c(C)sc(NC(=O)[C@@](C)(OC)c2ccccc2)c1-c1nnn[n-]1 ZINC000736670763 598396540 /nfs/dbraw/zinc/39/65/40/598396540.db2.gz QQVBXKBJKKJCKI-SFHVURJKSA-N -1 3 371.466 3.299 20 0 FGADHM CCc1c(C)sc(NC(=O)[C@@](C)(OC)c2ccccc2)c1-c1nn[n-]n1 ZINC000736670763 598396542 /nfs/dbraw/zinc/39/65/42/598396542.db2.gz QQVBXKBJKKJCKI-SFHVURJKSA-N -1 3 371.466 3.299 20 0 FGADHM CC(C)CN(Cc1nnc(C(C)C)o1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000735830546 598412296 /nfs/dbraw/zinc/41/22/96/598412296.db2.gz HSQWDKSJZVBTLA-UHFFFAOYSA-N -1 3 355.446 3.031 20 0 FGADHM S=C(Nc1ccccc1-c1nnn[n-]1)N1CCCc2sccc2C1 ZINC000738406065 598418868 /nfs/dbraw/zinc/41/88/68/598418868.db2.gz ACUJJRUEDFOVJE-UHFFFAOYSA-N -1 3 356.480 3.073 20 0 FGADHM S=C(Nc1ccccc1-c1nn[n-]n1)N1CCCc2sccc2C1 ZINC000738406065 598418870 /nfs/dbraw/zinc/41/88/70/598418870.db2.gz ACUJJRUEDFOVJE-UHFFFAOYSA-N -1 3 356.480 3.073 20 0 FGADHM CC(C)C[C@@H](NC(=O)CNc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000735782331 598419220 /nfs/dbraw/zinc/41/92/20/598419220.db2.gz HHZBPWFIBLUTPI-GOSISDBHSA-N -1 3 364.453 3.182 20 0 FGADHM CC(C)C[C@@H](NC(=O)CNc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000735782331 598419221 /nfs/dbraw/zinc/41/92/21/598419221.db2.gz HHZBPWFIBLUTPI-GOSISDBHSA-N -1 3 364.453 3.182 20 0 FGADHM COc1ccccc1C[C@@H](C)CC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000737151245 598421144 /nfs/dbraw/zinc/42/11/44/598421144.db2.gz AHZZJCPVORGKFQ-LLVKDONJSA-N -1 3 357.439 3.144 20 0 FGADHM COc1ccccc1C[C@@H](C)CC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000737151245 598421147 /nfs/dbraw/zinc/42/11/47/598421147.db2.gz AHZZJCPVORGKFQ-LLVKDONJSA-N -1 3 357.439 3.144 20 0 FGADHM Cc1cc(C)c(C)c(OCCC(=O)N(C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000737247701 598421990 /nfs/dbraw/zinc/42/19/90/598421990.db2.gz ZOFCHCGNEANJPO-UHFFFAOYSA-N -1 3 365.437 3.224 20 0 FGADHM Cc1cc(C)c(C)c(OCCC(=O)N(C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737247701 598421993 /nfs/dbraw/zinc/42/19/93/598421993.db2.gz ZOFCHCGNEANJPO-UHFFFAOYSA-N -1 3 365.437 3.224 20 0 FGADHM C[C@@H](Sc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H](C)c1ccccc1 ZINC000736193943 598422346 /nfs/dbraw/zinc/42/23/46/598422346.db2.gz VFMGLNVQIJOLLF-CHWSQXEVSA-N -1 3 353.451 3.225 20 0 FGADHM C[C@@H](Sc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H](C)c1ccccc1 ZINC000736193943 598422348 /nfs/dbraw/zinc/42/23/48/598422348.db2.gz VFMGLNVQIJOLLF-CHWSQXEVSA-N -1 3 353.451 3.225 20 0 FGADHM Cc1cc(C)cc([C@@H](C)NC(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737254393 598423057 /nfs/dbraw/zinc/42/30/57/598423057.db2.gz XCOIBWOAZORFJN-CABCVRRESA-N -1 3 365.437 3.128 20 0 FGADHM Cc1ccc(CNC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)s1 ZINC000737341490 598428435 /nfs/dbraw/zinc/42/84/35/598428435.db2.gz IKILAOBCJBKFEB-UHFFFAOYSA-N -1 3 370.482 3.357 20 0 FGADHM Cc1ccc(CNC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)s1 ZINC000737341490 598428437 /nfs/dbraw/zinc/42/84/37/598428437.db2.gz IKILAOBCJBKFEB-UHFFFAOYSA-N -1 3 370.482 3.357 20 0 FGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000736267717 598428646 /nfs/dbraw/zinc/42/86/46/598428646.db2.gz CFUIHTKJQLYRDG-WMLDXEAASA-N -1 3 356.474 3.365 20 0 FGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000736267717 598428648 /nfs/dbraw/zinc/42/86/48/598428648.db2.gz CFUIHTKJQLYRDG-WMLDXEAASA-N -1 3 356.474 3.365 20 0 FGADHM Cc1cc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc(C)c1OC(F)F ZINC000110786858 598442334 /nfs/dbraw/zinc/44/23/34/598442334.db2.gz NXXAORUKNBVUAI-UHFFFAOYSA-N -1 3 373.363 3.015 20 0 FGADHM Cc1cc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc(C)c1OC(F)F ZINC000110786858 598442336 /nfs/dbraw/zinc/44/23/36/598442336.db2.gz NXXAORUKNBVUAI-UHFFFAOYSA-N -1 3 373.363 3.015 20 0 FGADHM O=C(Nc1ccccc1SC(F)(F)F)c1ccc(-c2nnn[n-]2)cn1 ZINC000738189514 598444644 /nfs/dbraw/zinc/44/46/44/598444644.db2.gz GUHUZJSSRBRCAV-UHFFFAOYSA-N -1 3 366.328 3.126 20 0 FGADHM O=C(Nc1ccccc1SC(F)(F)F)c1ccc(-c2nn[n-]n2)cn1 ZINC000738189514 598444646 /nfs/dbraw/zinc/44/46/46/598444646.db2.gz GUHUZJSSRBRCAV-UHFFFAOYSA-N -1 3 366.328 3.126 20 0 FGADHM Cc1cccc(C2(NC(=O)c3sccc3-c3nnn[n-]3)CCCC2)c1 ZINC000737390693 598447964 /nfs/dbraw/zinc/44/79/64/598447964.db2.gz VISQVALBIZRTDO-UHFFFAOYSA-N -1 3 353.451 3.436 20 0 FGADHM Cc1cccc(C2(NC(=O)c3sccc3-c3nn[n-]n3)CCCC2)c1 ZINC000737390693 598447966 /nfs/dbraw/zinc/44/79/66/598447966.db2.gz VISQVALBIZRTDO-UHFFFAOYSA-N -1 3 353.451 3.436 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H](C)c1ccc(OC)cc1 ZINC000736634307 598448247 /nfs/dbraw/zinc/44/82/47/598448247.db2.gz GJGQQNMXOAZBRR-GFCCVEGCSA-N -1 3 367.409 3.016 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H](C)c1ccc(OC)cc1 ZINC000736634307 598448248 /nfs/dbraw/zinc/44/82/48/598448248.db2.gz GJGQQNMXOAZBRR-GFCCVEGCSA-N -1 3 367.409 3.016 20 0 FGADHM CCCCC[C@H](NC(=O)c1ccc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC000736440285 598452261 /nfs/dbraw/zinc/45/22/61/598452261.db2.gz BYLLAMQMGDJCJD-INIZCTEOSA-N -1 3 350.426 3.313 20 0 FGADHM CCCCC[C@H](NC(=O)c1ccc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC000736440285 598452263 /nfs/dbraw/zinc/45/22/63/598452263.db2.gz BYLLAMQMGDJCJD-INIZCTEOSA-N -1 3 350.426 3.313 20 0 FGADHM CC[C@@](C)(NC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000736313251 598455020 /nfs/dbraw/zinc/45/50/20/598455020.db2.gz GWYWBQWPWUSXMI-VBKZILBWSA-N -1 3 365.437 3.076 20 0 FGADHM O=C(c1sccc1-c1nnn[n-]1)N1CCC[C@@H](c2ccccc2)CC1 ZINC000738289089 598456835 /nfs/dbraw/zinc/45/68/35/598456835.db2.gz GHLALERSTYBOQR-CQSZACIVSA-N -1 3 353.451 3.338 20 0 FGADHM O=C(c1sccc1-c1nn[n-]n1)N1CCC[C@@H](c2ccccc2)CC1 ZINC000738289089 598456836 /nfs/dbraw/zinc/45/68/36/598456836.db2.gz GHLALERSTYBOQR-CQSZACIVSA-N -1 3 353.451 3.338 20 0 FGADHM C[C@@H]1CCC[C@@H](NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)[C@H]1C ZINC000736257156 598475803 /nfs/dbraw/zinc/47/58/03/598475803.db2.gz BWDVBAGRMDSBFB-QWQRMKEZSA-N -1 3 368.485 3.365 20 0 FGADHM C[C@@H]1CCC[C@@H](NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)[C@H]1C ZINC000736257156 598475805 /nfs/dbraw/zinc/47/58/05/598475805.db2.gz BWDVBAGRMDSBFB-QWQRMKEZSA-N -1 3 368.485 3.365 20 0 FGADHM O=C(OCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)C1=COCCC1 ZINC000738236861 598475936 /nfs/dbraw/zinc/47/59/36/598475936.db2.gz SQBZACYSKRGLNL-UHFFFAOYSA-N -1 3 362.389 3.271 20 0 FGADHM O=C(OCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)C1=COCCC1 ZINC000738236861 598475938 /nfs/dbraw/zinc/47/59/38/598475938.db2.gz SQBZACYSKRGLNL-UHFFFAOYSA-N -1 3 362.389 3.271 20 0 FGADHM C[C@@H](OC(=O)[C@H](C)Oc1ccc(F)c(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000736179102 598484595 /nfs/dbraw/zinc/48/45/95/598484595.db2.gz ZALCIAILGLUTQV-MNOVXSKESA-N -1 3 374.347 3.217 20 0 FGADHM C[C@@H](OC(=O)[C@H](C)Oc1ccc(F)c(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000736179102 598484596 /nfs/dbraw/zinc/48/45/96/598484596.db2.gz ZALCIAILGLUTQV-MNOVXSKESA-N -1 3 374.347 3.217 20 0 FGADHM COc1ccc(CN(C)c2ccc(-c3nnn[n-]3)c(Cl)c2)cc1OC ZINC000737091225 598506581 /nfs/dbraw/zinc/50/65/81/598506581.db2.gz RCTDECURUHPIPO-UHFFFAOYSA-N -1 3 359.817 3.174 20 0 FGADHM COc1ccc(CN(C)c2ccc(-c3nn[n-]n3)c(Cl)c2)cc1OC ZINC000737091225 598506583 /nfs/dbraw/zinc/50/65/83/598506583.db2.gz RCTDECURUHPIPO-UHFFFAOYSA-N -1 3 359.817 3.174 20 0 FGADHM COc1ccc(COCCSCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737098327 598511946 /nfs/dbraw/zinc/51/19/46/598511946.db2.gz VBYRUVSMYUUJTM-UHFFFAOYSA-N -1 3 356.451 3.325 20 0 FGADHM COc1ccc(COCCSCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737098327 598511948 /nfs/dbraw/zinc/51/19/48/598511948.db2.gz VBYRUVSMYUUJTM-UHFFFAOYSA-N -1 3 356.451 3.325 20 0 FGADHM CCc1c(C)sc(NC(=O)c2cccc(NC(C)=O)c2)c1-c1nnn[n-]1 ZINC000736675273 598517761 /nfs/dbraw/zinc/51/77/61/598517761.db2.gz JDONTYGKRUMJCK-UHFFFAOYSA-N -1 3 370.438 3.010 20 0 FGADHM CCc1c(C)sc(NC(=O)c2cccc(NC(C)=O)c2)c1-c1nn[n-]n1 ZINC000736675273 598517763 /nfs/dbraw/zinc/51/77/63/598517763.db2.gz JDONTYGKRUMJCK-UHFFFAOYSA-N -1 3 370.438 3.010 20 0 FGADHM CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000735797985 598519788 /nfs/dbraw/zinc/51/97/88/598519788.db2.gz TXCXACJLLOLJRF-ZOBUZTSGSA-N -1 3 371.485 3.355 20 0 FGADHM CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000735797985 598519789 /nfs/dbraw/zinc/51/97/89/598519789.db2.gz TXCXACJLLOLJRF-ZOBUZTSGSA-N -1 3 371.485 3.355 20 0 FGADHM CCCC[C@@H]1CCC[C@H]1NC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000736441766 598519812 /nfs/dbraw/zinc/51/98/12/598519812.db2.gz UHQLQMJEPKYYEE-JJRVBVJISA-N -1 3 357.458 3.109 20 0 FGADHM Cc1csc([C@H](C)NC(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)n1 ZINC000737454686 598527677 /nfs/dbraw/zinc/52/76/77/598527677.db2.gz DRNHFRATFYXISA-JTQLQIEISA-N -1 3 374.474 3.071 20 0 FGADHM Cc1csc([C@H](C)NC(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)n1 ZINC000737454686 598527678 /nfs/dbraw/zinc/52/76/78/598527678.db2.gz DRNHFRATFYXISA-JTQLQIEISA-N -1 3 374.474 3.071 20 0 FGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)NCC1(C)CCCC1 ZINC000735907256 598542849 /nfs/dbraw/zinc/54/28/49/598542849.db2.gz ZNTFLKMPKCPXDU-UHFFFAOYSA-N -1 3 358.446 3.356 20 0 FGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)NCC1(C)CCCC1 ZINC000735907256 598542851 /nfs/dbraw/zinc/54/28/51/598542851.db2.gz ZNTFLKMPKCPXDU-UHFFFAOYSA-N -1 3 358.446 3.356 20 0 FGADHM Cc1ccc(F)c(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)c1 ZINC000737342026 598543938 /nfs/dbraw/zinc/54/39/38/598543938.db2.gz DQOOKDDTAGFNNS-UHFFFAOYSA-N -1 3 363.299 3.168 20 0 FGADHM Cc1ccc(F)c(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)c1 ZINC000737342026 598543940 /nfs/dbraw/zinc/54/39/40/598543940.db2.gz DQOOKDDTAGFNNS-UHFFFAOYSA-N -1 3 363.299 3.168 20 0 FGADHM CCCCS[C@@H](C)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000736464223 598545407 /nfs/dbraw/zinc/54/54/07/598545407.db2.gz VZSMIDJAYBSFKJ-VIFPVBQESA-N -1 3 371.413 3.328 20 0 FGADHM CCCCS[C@@H](C)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000736464223 598545408 /nfs/dbraw/zinc/54/54/08/598545408.db2.gz VZSMIDJAYBSFKJ-VIFPVBQESA-N -1 3 371.413 3.328 20 0 FGADHM O=C(CCC1CCCC1)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000737823846 598546760 /nfs/dbraw/zinc/54/67/60/598546760.db2.gz LLTBSQVHYJXTEK-UHFFFAOYSA-N -1 3 351.357 3.377 20 0 FGADHM O=C(CCC1CCCC1)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000737823846 598546762 /nfs/dbraw/zinc/54/67/62/598546762.db2.gz LLTBSQVHYJXTEK-UHFFFAOYSA-N -1 3 351.357 3.377 20 0 FGADHM O=C(C=Cc1ccsc1)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000737810656 598546940 /nfs/dbraw/zinc/54/69/40/598546940.db2.gz ZYXHBLYAPVMBIO-RJRFIUFISA-N -1 3 363.349 3.182 20 0 FGADHM O=C(C=Cc1ccsc1)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000737810656 598546941 /nfs/dbraw/zinc/54/69/41/598546941.db2.gz ZYXHBLYAPVMBIO-RJRFIUFISA-N -1 3 363.349 3.182 20 0 FGADHM Cc1nc(C)c(-c2nnn[n-]2)c(SC[C@@H]2CCCc3ccccc32)n1 ZINC000737471851 598547159 /nfs/dbraw/zinc/54/71/59/598547159.db2.gz VDQIJTWZEHCVLB-AWEZNQCLSA-N -1 3 352.467 3.486 20 0 FGADHM Cc1nc(C)c(-c2nn[n-]n2)c(SC[C@@H]2CCCc3ccccc32)n1 ZINC000737471851 598547161 /nfs/dbraw/zinc/54/71/61/598547161.db2.gz VDQIJTWZEHCVLB-AWEZNQCLSA-N -1 3 352.467 3.486 20 0 FGADHM CC1(NC(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)CCCC1 ZINC000736222487 598548187 /nfs/dbraw/zinc/54/81/87/598548187.db2.gz HQULKHYWFXDUMJ-UHFFFAOYSA-N -1 3 367.409 3.101 20 0 FGADHM CC(C)Oc1ccc(C(=O)COc2ccc(-c3nnn[n-]3)c(F)c2)cc1 ZINC000735904835 598549839 /nfs/dbraw/zinc/54/98/39/598549839.db2.gz DAYOMAJIMPKGJM-UHFFFAOYSA-N -1 3 356.357 3.055 20 0 FGADHM CC(C)Oc1ccc(C(=O)COc2ccc(-c3nn[n-]n3)c(F)c2)cc1 ZINC000735904835 598549840 /nfs/dbraw/zinc/54/98/40/598549840.db2.gz DAYOMAJIMPKGJM-UHFFFAOYSA-N -1 3 356.357 3.055 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@@H](C)c1ccccc1F ZINC000736626302 598551717 /nfs/dbraw/zinc/55/17/17/598551717.db2.gz FXLSNXWXGZWFLA-NSHDSACASA-N -1 3 356.357 3.114 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@@H](C)c1ccccc1F ZINC000736626302 598551719 /nfs/dbraw/zinc/55/17/19/598551719.db2.gz FXLSNXWXGZWFLA-NSHDSACASA-N -1 3 356.357 3.114 20 0 FGADHM CC(C)COc1ccccc1C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000735845293 598552978 /nfs/dbraw/zinc/55/29/78/598552978.db2.gz VHLZOLIAYOPKPA-UHFFFAOYSA-N -1 3 355.373 3.293 20 0 FGADHM CC(C)COc1ccccc1C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000735845293 598552980 /nfs/dbraw/zinc/55/29/80/598552980.db2.gz VHLZOLIAYOPKPA-UHFFFAOYSA-N -1 3 355.373 3.293 20 0 FGADHM C[C@H](NC(=O)Nc1cccc(-c2nnn[n-]2)c1)C(C)(C)c1ccccc1 ZINC000736115733 598554165 /nfs/dbraw/zinc/55/41/65/598554165.db2.gz IJSNAWYGCNCEQM-ZDUSSCGKSA-N -1 3 350.426 3.355 20 0 FGADHM C[C@H](NC(=O)Nc1cccc(-c2nn[n-]n2)c1)C(C)(C)c1ccccc1 ZINC000736115733 598554167 /nfs/dbraw/zinc/55/41/67/598554167.db2.gz IJSNAWYGCNCEQM-ZDUSSCGKSA-N -1 3 350.426 3.355 20 0 FGADHM Cc1cnc(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)cn1 ZINC000737446665 598555330 /nfs/dbraw/zinc/55/53/30/598555330.db2.gz RXZMROWSYUJQBJ-UHFFFAOYSA-N -1 3 373.376 3.010 20 0 FGADHM Cc1cnc(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)cn1 ZINC000737446665 598555332 /nfs/dbraw/zinc/55/53/32/598555332.db2.gz RXZMROWSYUJQBJ-UHFFFAOYSA-N -1 3 373.376 3.010 20 0 FGADHM Cc1ccc(CNC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)cc1 ZINC000737342831 598560844 /nfs/dbraw/zinc/56/08/44/598560844.db2.gz RNNWBXASBBDBQV-UHFFFAOYSA-N -1 3 374.351 3.098 20 0 FGADHM Cc1ccc(CNC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)cc1 ZINC000737342831 598560846 /nfs/dbraw/zinc/56/08/46/598560846.db2.gz RNNWBXASBBDBQV-UHFFFAOYSA-N -1 3 374.351 3.098 20 0 FGADHM O=C(OC1CCCC1)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000738216376 598566217 /nfs/dbraw/zinc/56/62/17/598566217.db2.gz YQJRTCIDWVOYLA-UHFFFAOYSA-N -1 3 354.366 3.138 20 0 FGADHM O=C(Nc1ccccc1Cl)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738190410 598571140 /nfs/dbraw/zinc/57/11/40/598571140.db2.gz MMSCPZRHZPAOGJ-MRXNPFEDSA-N -1 3 368.828 3.128 20 0 FGADHM FC(F)(F)c1cc(NC[C@H]2CC2(Cl)Cl)ccc1-c1nnn[n-]1 ZINC000737634016 598572190 /nfs/dbraw/zinc/57/21/90/598572190.db2.gz XNBCQUSLTZGEDS-ZCFIWIBFSA-N -1 3 352.147 3.491 20 0 FGADHM FC(F)(F)c1cc(NC[C@H]2CC2(Cl)Cl)ccc1-c1nn[n-]n1 ZINC000737634016 598572191 /nfs/dbraw/zinc/57/21/91/598572191.db2.gz XNBCQUSLTZGEDS-ZCFIWIBFSA-N -1 3 352.147 3.491 20 0 FGADHM CCc1cccc(NC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736700558 598574247 /nfs/dbraw/zinc/57/42/47/598574247.db2.gz UQJWSNBDHPRPME-SFHVURJKSA-N -1 3 362.437 3.037 20 0 FGADHM Cc1cccc(OC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000737400242 598574912 /nfs/dbraw/zinc/57/49/12/598574912.db2.gz QUTWRZXKWJORFT-QGZVFWFLSA-N -1 3 363.421 3.058 20 0 FGADHM Cc1ccc(OC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)c(C)c1 ZINC000737364144 598576384 /nfs/dbraw/zinc/57/63/84/598576384.db2.gz IOFFUVNDMXBTAH-KRWDZBQOSA-N -1 3 363.421 3.058 20 0 FGADHM CCSc1ccccc1C(=O)OCC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825674134 607361864 /nfs/dbraw/zinc/36/18/64/607361864.db2.gz IJRMCDCBKOKYAK-UHFFFAOYSA-N -1 3 368.418 3.018 20 0 FGADHM CCSc1ccccc1C(=O)OCC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825674134 607361866 /nfs/dbraw/zinc/36/18/66/607361866.db2.gz IJRMCDCBKOKYAK-UHFFFAOYSA-N -1 3 368.418 3.018 20 0 FGADHM COCc1c2ccccc2oc1C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737017745 598590263 /nfs/dbraw/zinc/59/02/63/598590263.db2.gz ZZENWCVMKCFVPT-UHFFFAOYSA-N -1 3 367.340 3.151 20 0 FGADHM COCc1c2ccccc2oc1C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737017745 598590265 /nfs/dbraw/zinc/59/02/65/598590265.db2.gz ZZENWCVMKCFVPT-UHFFFAOYSA-N -1 3 367.340 3.151 20 0 FGADHM COc1cc2ccccc2cc1C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737056020 598592338 /nfs/dbraw/zinc/59/23/38/598592338.db2.gz SRSUYJNOAXQPIH-UHFFFAOYSA-N -1 3 363.352 3.420 20 0 FGADHM COc1cc2ccccc2cc1C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737056020 598592339 /nfs/dbraw/zinc/59/23/39/598592339.db2.gz SRSUYJNOAXQPIH-UHFFFAOYSA-N -1 3 363.352 3.420 20 0 FGADHM CN(CCc1ccccc1F)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736807624 598599695 /nfs/dbraw/zinc/59/96/95/598599695.db2.gz WIBCRRTWRJGUGI-UHFFFAOYSA-N -1 3 374.807 3.366 20 0 FGADHM CN(CCc1ccccc1F)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736807624 598599696 /nfs/dbraw/zinc/59/96/96/598599696.db2.gz WIBCRRTWRJGUGI-UHFFFAOYSA-N -1 3 374.807 3.366 20 0 FGADHM S=C(Nc1ccccc1-c1nnn[n-]1)NC1CC(c2ccccc2)C1 ZINC000738408080 598608844 /nfs/dbraw/zinc/60/88/44/598608844.db2.gz JWTOAYMEBCGHGX-UHFFFAOYSA-N -1 3 350.451 3.099 20 0 FGADHM S=C(Nc1ccccc1-c1nn[n-]n1)NC1CC(c2ccccc2)C1 ZINC000738408080 598608845 /nfs/dbraw/zinc/60/88/45/598608845.db2.gz JWTOAYMEBCGHGX-UHFFFAOYSA-N -1 3 350.451 3.099 20 0 FGADHM O=c1c2ccoc2ccn1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000738380153 598614560 /nfs/dbraw/zinc/61/45/60/598614560.db2.gz NUPKBHYJQOYSER-UHFFFAOYSA-N -1 3 369.384 3.490 20 0 FGADHM O=c1c2ccoc2ccn1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000738380153 598614561 /nfs/dbraw/zinc/61/45/61/598614561.db2.gz NUPKBHYJQOYSER-UHFFFAOYSA-N -1 3 369.384 3.490 20 0 FGADHM CCOc1ccc(CN(C)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000736643911 598630538 /nfs/dbraw/zinc/63/05/38/598630538.db2.gz PLHSCHHKBHYJQO-UHFFFAOYSA-N -1 3 370.388 3.068 20 0 FGADHM CCOc1ccc(CN(C)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000736643911 598630540 /nfs/dbraw/zinc/63/05/40/598630540.db2.gz PLHSCHHKBHYJQO-UHFFFAOYSA-N -1 3 370.388 3.068 20 0 FGADHM C[C@H]1CCCC[C@@H]1NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736267042 598646090 /nfs/dbraw/zinc/64/60/90/598646090.db2.gz ADKGNFBAGGQIRZ-YOEHRIQHSA-N -1 3 357.458 3.111 20 0 FGADHM C[C@H]1CCCC[C@@H]1NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736267042 598646092 /nfs/dbraw/zinc/64/60/92/598646092.db2.gz ADKGNFBAGGQIRZ-YOEHRIQHSA-N -1 3 357.458 3.111 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)C=C(C)c1cccc(F)c1 ZINC000736628659 598646718 /nfs/dbraw/zinc/64/67/18/598646718.db2.gz SKLPFAMWZZCBLY-XFXZXTDPSA-N -1 3 368.368 3.413 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)C=C(C)c1cccc(F)c1 ZINC000736628659 598646720 /nfs/dbraw/zinc/64/67/20/598646720.db2.gz SKLPFAMWZZCBLY-XFXZXTDPSA-N -1 3 368.368 3.413 20 0 FGADHM Cc1cccnc1NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000737436090 598648642 /nfs/dbraw/zinc/64/86/42/598648642.db2.gz KTGWGUXTXHPWOS-UHFFFAOYSA-N -1 3 373.376 3.010 20 0 FGADHM Cc1cccnc1NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000737436090 598648643 /nfs/dbraw/zinc/64/86/43/598648643.db2.gz KTGWGUXTXHPWOS-UHFFFAOYSA-N -1 3 373.376 3.010 20 0 FGADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)Nc1ccc(Cl)nc1 ZINC000737832662 598648728 /nfs/dbraw/zinc/64/87/28/598648728.db2.gz JYBAVWSMFJEDHY-UHFFFAOYSA-N -1 3 372.816 3.103 20 0 FGADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)Nc1ccc(Cl)nc1 ZINC000737832662 598648730 /nfs/dbraw/zinc/64/87/30/598648730.db2.gz JYBAVWSMFJEDHY-UHFFFAOYSA-N -1 3 372.816 3.103 20 0 FGADHM C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736244118 598649940 /nfs/dbraw/zinc/64/99/40/598649940.db2.gz DYUQDRUQUAAHSQ-QWHZDKJVSA-N -1 3 371.485 3.357 20 0 FGADHM C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736244118 598649941 /nfs/dbraw/zinc/64/99/41/598649941.db2.gz DYUQDRUQUAAHSQ-QWHZDKJVSA-N -1 3 371.485 3.357 20 0 FGADHM CC(C)CCCNC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000735798010 598650738 /nfs/dbraw/zinc/65/07/38/598650738.db2.gz UJASTMVBNGZZKJ-UHFFFAOYSA-N -1 3 366.425 3.220 20 0 FGADHM CC(C)CCCNC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000735798010 598650740 /nfs/dbraw/zinc/65/07/40/598650740.db2.gz UJASTMVBNGZZKJ-UHFFFAOYSA-N -1 3 366.425 3.220 20 0 FGADHM CC(C)[C@@H](C)N(C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000735700993 598651126 /nfs/dbraw/zinc/65/11/26/598651126.db2.gz ISVULVSDTXJPCC-OAHLLOKOSA-N -1 3 371.485 3.451 20 0 FGADHM CC(C)[C@@H](C)N(C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000735700993 598651127 /nfs/dbraw/zinc/65/11/27/598651127.db2.gz ISVULVSDTXJPCC-OAHLLOKOSA-N -1 3 371.485 3.451 20 0 FGADHM CCCN(CC(C)C)C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736471001 598651764 /nfs/dbraw/zinc/65/17/64/598651764.db2.gz QVZJCIZVMBGNIO-UHFFFAOYSA-N -1 3 359.474 3.310 20 0 FGADHM CCCN(CC(C)C)C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736471001 598651765 /nfs/dbraw/zinc/65/17/65/598651765.db2.gz QVZJCIZVMBGNIO-UHFFFAOYSA-N -1 3 359.474 3.310 20 0 FGADHM O=C(c1cscn1)N(Cc1ccccc1)c1ccccc1-c1nnn[n-]1 ZINC000738293446 598653460 /nfs/dbraw/zinc/65/34/60/598653460.db2.gz WJAGNHCXCLKUEV-UHFFFAOYSA-N -1 3 362.418 3.170 20 0 FGADHM O=C(c1cscn1)N(Cc1ccccc1)c1ccccc1-c1nn[n-]n1 ZINC000738293446 598653462 /nfs/dbraw/zinc/65/34/62/598653462.db2.gz WJAGNHCXCLKUEV-UHFFFAOYSA-N -1 3 362.418 3.170 20 0 FGADHM CC[C@@H](C)[C@H](C)NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000736328697 598654242 /nfs/dbraw/zinc/65/42/42/598654242.db2.gz HWRZHLGWLQBGDI-OLZOCXBDSA-N -1 3 366.425 3.218 20 0 FGADHM CC[C@@H](C)[C@H](C)NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000736328697 598654244 /nfs/dbraw/zinc/65/42/44/598654244.db2.gz HWRZHLGWLQBGDI-OLZOCXBDSA-N -1 3 366.425 3.218 20 0 FGADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)Nc1cccc(F)c1F ZINC000737831692 598656857 /nfs/dbraw/zinc/65/68/57/598656857.db2.gz CUFLPBBVWUXYLV-UHFFFAOYSA-N -1 3 373.363 3.333 20 0 FGADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)Nc1cccc(F)c1F ZINC000737831692 598656859 /nfs/dbraw/zinc/65/68/59/598656859.db2.gz CUFLPBBVWUXYLV-UHFFFAOYSA-N -1 3 373.363 3.333 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(C)(C)c1ccc(C)cc1 ZINC000737058504 598657288 /nfs/dbraw/zinc/65/72/88/598657288.db2.gz MMAPAYDUMCWVTQ-UHFFFAOYSA-N -1 3 351.410 3.100 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(C)(C)c1ccc(C)cc1 ZINC000737058504 598657289 /nfs/dbraw/zinc/65/72/89/598657289.db2.gz MMAPAYDUMCWVTQ-UHFFFAOYSA-N -1 3 351.410 3.100 20 0 FGADHM Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000737316853 598659381 /nfs/dbraw/zinc/65/93/81/598659381.db2.gz HILTYNQJSZDWOB-CYBMUJFWSA-N -1 3 366.425 3.100 20 0 FGADHM Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000737316853 598659382 /nfs/dbraw/zinc/65/93/82/598659382.db2.gz HILTYNQJSZDWOB-CYBMUJFWSA-N -1 3 366.425 3.100 20 0 FGADHM Clc1cc(NCc2ccn(-c3ccccc3)n2)ccc1-c1nnn[n-]1 ZINC000737563042 598665417 /nfs/dbraw/zinc/66/54/17/598665417.db2.gz CYIVCAKJWHNYRH-UHFFFAOYSA-N -1 3 351.801 3.318 20 0 FGADHM Clc1cc(NCc2ccn(-c3ccccc3)n2)ccc1-c1nn[n-]n1 ZINC000737563042 598665418 /nfs/dbraw/zinc/66/54/18/598665418.db2.gz CYIVCAKJWHNYRH-UHFFFAOYSA-N -1 3 351.801 3.318 20 0 FGADHM Cc1ccc(C(C)(C)CNC(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737316936 598697758 /nfs/dbraw/zinc/69/77/58/598697758.db2.gz ILXIDWIRTFFZTJ-UHFFFAOYSA-N -1 3 350.426 3.274 20 0 FGADHM Cc1ccc(C(C)(C)CNC(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737316936 598697760 /nfs/dbraw/zinc/69/77/60/598697760.db2.gz ILXIDWIRTFFZTJ-UHFFFAOYSA-N -1 3 350.426 3.274 20 0 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/nfs/dbraw/zinc/37/17/44/599371744.db2.gz JHXGBIIZJSEEOP-UHFFFAOYSA-N -1 3 356.363 3.292 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)c1cc2occc2s1 ZINC000736627073 599371747 /nfs/dbraw/zinc/37/17/47/599371747.db2.gz JHXGBIIZJSEEOP-UHFFFAOYSA-N -1 3 356.363 3.292 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1CNc1ccc(OC(F)F)c(F)c1 ZINC000821737400 607371806 /nfs/dbraw/zinc/37/18/06/607371806.db2.gz WJUJMZJQFUGGKE-UHFFFAOYSA-N -1 3 365.315 3.228 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1CNc1ccc(OC(F)F)c(F)c1 ZINC000821737400 607371807 /nfs/dbraw/zinc/37/18/07/607371807.db2.gz WJUJMZJQFUGGKE-UHFFFAOYSA-N -1 3 365.315 3.228 20 0 FGADHM CC[C@H](CC(=O)OCC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000825080858 607371817 /nfs/dbraw/zinc/37/18/17/607371817.db2.gz CBVUFPAOKLKKIE-CQSZACIVSA-N -1 3 364.405 3.177 20 0 FGADHM CC[C@H](CC(=O)OCC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000825080858 607371819 /nfs/dbraw/zinc/37/18/19/607371819.db2.gz CBVUFPAOKLKKIE-CQSZACIVSA-N -1 3 364.405 3.177 20 0 FGADHM CSC[C@@H](C)NC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000737175108 599380656 /nfs/dbraw/zinc/38/06/56/599380656.db2.gz AVGVREZUIPYONX-GFCCVEGCSA-N -1 3 353.451 3.015 20 0 FGADHM CSC[C@@H](C)NC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000737175108 599380659 /nfs/dbraw/zinc/38/06/59/599380659.db2.gz AVGVREZUIPYONX-GFCCVEGCSA-N -1 3 353.451 3.015 20 0 FGADHM COc1ccc(COCCOc2c(C)cc(-c3nn[n-]n3)cc2C)cc1 ZINC000821824878 599388451 /nfs/dbraw/zinc/38/84/51/599388451.db2.gz PJEGNBJUZXFDPA-UHFFFAOYSA-N -1 3 354.410 3.088 20 0 FGADHM CCOc1ccccc1OCCOc1c(C)cc(-c2nn[n-]n2)cc1C ZINC000821436584 599388912 /nfs/dbraw/zinc/38/89/12/599388912.db2.gz CJANRWCLWADNIW-UHFFFAOYSA-N -1 3 354.410 3.340 20 0 FGADHM O=C(CNc1cc(Cl)ccc1-c1nnn[n-]1)Nc1ccc(Cl)cc1 ZINC000737896169 599417830 /nfs/dbraw/zinc/41/78/30/599417830.db2.gz XXVZBPMPUNUAEL-UHFFFAOYSA-N -1 3 363.208 3.224 20 0 FGADHM O=C(CNc1cc(Cl)ccc1-c1nn[n-]n1)Nc1ccc(Cl)cc1 ZINC000737896169 599417833 /nfs/dbraw/zinc/41/78/33/599417833.db2.gz XXVZBPMPUNUAEL-UHFFFAOYSA-N -1 3 363.208 3.224 20 0 FGADHM C[C@@H](Nc1cc(-c2nnn[n-]2)c2ccccc2n1)c1nc2ccccc2[nH]1 ZINC000736134313 599418547 /nfs/dbraw/zinc/41/85/47/599418547.db2.gz BKVUFEGPAVSJRQ-LLVKDONJSA-N -1 3 356.393 3.464 20 0 FGADHM C[C@@H](Nc1cc(-c2nn[n-]n2)c2ccccc2n1)c1nc2ccccc2[nH]1 ZINC000736134313 599418550 /nfs/dbraw/zinc/41/85/50/599418550.db2.gz BKVUFEGPAVSJRQ-LLVKDONJSA-N -1 3 356.393 3.464 20 0 FGADHM C[C@@H](NC(=O)N[C@@H]1CCc2cc(F)ccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820356870 599422060 /nfs/dbraw/zinc/42/20/60/599422060.db2.gz BOPYPSIOTNLJBU-PIGZYNQJSA-N -1 3 366.400 3.054 20 0 FGADHM C[C@@H](NC(=O)N[C@@H]1CCc2cc(F)ccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820356870 599422063 /nfs/dbraw/zinc/42/20/63/599422063.db2.gz BOPYPSIOTNLJBU-PIGZYNQJSA-N -1 3 366.400 3.054 20 0 FGADHM COc1ccc2c(c1)CCCN(c1cc(Cl)ccc1-c1nnn[n-]1)C2 ZINC000737119404 599427140 /nfs/dbraw/zinc/42/71/40/599427140.db2.gz QMAUGCCPXQMEPH-UHFFFAOYSA-N -1 3 355.829 3.482 20 0 FGADHM COc1ccc2c(c1)CCCN(c1cc(Cl)ccc1-c1nn[n-]n1)C2 ZINC000737119404 599427142 /nfs/dbraw/zinc/42/71/42/599427142.db2.gz QMAUGCCPXQMEPH-UHFFFAOYSA-N -1 3 355.829 3.482 20 0 FGADHM Fc1ccccc1[C@@H]1CN(c2cc(Cl)ccc2-c2nnn[n-]2)CCO1 ZINC000737668512 599428123 /nfs/dbraw/zinc/42/81/23/599428123.db2.gz GUJBHRXMIYTZBX-INIZCTEOSA-N -1 3 359.792 3.237 20 0 FGADHM Fc1ccccc1[C@@H]1CN(c2cc(Cl)ccc2-c2nn[n-]n2)CCO1 ZINC000737668512 599428125 /nfs/dbraw/zinc/42/81/25/599428125.db2.gz GUJBHRXMIYTZBX-INIZCTEOSA-N -1 3 359.792 3.237 20 0 FGADHM C[C@H](NC(=O)NCc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1Cl ZINC000736119677 599453222 /nfs/dbraw/zinc/45/32/22/599453222.db2.gz UAIVWHWGCKSQQU-JTQLQIEISA-N -1 3 374.807 3.220 20 0 FGADHM C[C@H](NC(=O)NCc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1Cl ZINC000736119677 599453224 /nfs/dbraw/zinc/45/32/24/599453224.db2.gz UAIVWHWGCKSQQU-JTQLQIEISA-N -1 3 374.807 3.220 20 0 FGADHM S=C(Nc1ccccc1-c1nnn[n-]1)N[C@H](Cc1ccccc1)C1CC1 ZINC000738406129 599465071 /nfs/dbraw/zinc/46/50/71/599465071.db2.gz BBTBCUYKIIOTMU-QGZVFWFLSA-N -1 3 364.478 3.174 20 0 FGADHM S=C(Nc1ccccc1-c1nn[n-]n1)N[C@H](Cc1ccccc1)C1CC1 ZINC000738406129 599465073 /nfs/dbraw/zinc/46/50/73/599465073.db2.gz BBTBCUYKIIOTMU-QGZVFWFLSA-N -1 3 364.478 3.174 20 0 FGADHM CN(C(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1)c1ccccn1 ZINC000736740828 599465755 /nfs/dbraw/zinc/46/57/55/599465755.db2.gz GKMKPHHMKZJRFG-UHFFFAOYSA-N -1 3 356.389 3.205 20 0 FGADHM CN(C(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1)c1ccccn1 ZINC000736740828 599465756 /nfs/dbraw/zinc/46/57/56/599465756.db2.gz GKMKPHHMKZJRFG-UHFFFAOYSA-N -1 3 356.389 3.205 20 0 FGADHM COc1cc(CNc2ccc(F)cc2-c2nnn[n-]2)ccc1OC(F)F ZINC000821716639 599465875 /nfs/dbraw/zinc/46/58/75/599465875.db2.gz DEZGGJNRNWNWOT-UHFFFAOYSA-N -1 3 365.315 3.228 20 0 FGADHM COc1cc(CNc2ccc(F)cc2-c2nn[n-]n2)ccc1OC(F)F ZINC000821716639 599465877 /nfs/dbraw/zinc/46/58/77/599465877.db2.gz DEZGGJNRNWNWOT-UHFFFAOYSA-N -1 3 365.315 3.228 20 0 FGADHM O=C(Nc1sccc1-c1nnn[n-]1)c1cccc(Oc2nccs2)c1 ZINC000738212569 599466570 /nfs/dbraw/zinc/46/65/70/599466570.db2.gz XBMCCEIVTXIBKS-UHFFFAOYSA-N -1 3 370.419 3.429 20 0 FGADHM O=C(Nc1sccc1-c1nn[n-]n1)c1cccc(Oc2nccs2)c1 ZINC000738212569 599466572 /nfs/dbraw/zinc/46/65/72/599466572.db2.gz XBMCCEIVTXIBKS-UHFFFAOYSA-N -1 3 370.419 3.429 20 0 FGADHM Cc1cc(C)c(-c2nnn[n-]2)c(N2C[C@@H](c3ccc(F)cc3)C[C@H]2C)n1 ZINC000737247067 599472635 /nfs/dbraw/zinc/47/26/35/599472635.db2.gz YOQSPYMMLVZBSR-HIFRSBDPSA-N -1 3 352.417 3.400 20 0 FGADHM Cc1cc(C)c(-c2nn[n-]n2)c(N2C[C@@H](c3ccc(F)cc3)C[C@H]2C)n1 ZINC000737247067 599472637 /nfs/dbraw/zinc/47/26/37/599472637.db2.gz YOQSPYMMLVZBSR-HIFRSBDPSA-N -1 3 352.417 3.400 20 0 FGADHM C[C@H](NC(=O)N1CCC2(CCCC2)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820340485 599472927 /nfs/dbraw/zinc/47/29/27/599472927.db2.gz LKEAVGKMGHUAGT-AWEZNQCLSA-N -1 3 354.458 3.294 20 0 FGADHM C[C@H](NC(=O)N1CCC2(CCCC2)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820340485 599472929 /nfs/dbraw/zinc/47/29/29/599472929.db2.gz LKEAVGKMGHUAGT-AWEZNQCLSA-N -1 3 354.458 3.294 20 0 FGADHM C[C@@H](NC(=O)N(C)Cc1ccc(Cl)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820339658 599473355 /nfs/dbraw/zinc/47/33/55/599473355.db2.gz FTVZDQYFNIEPJQ-GFCCVEGCSA-N -1 3 370.844 3.423 20 0 FGADHM C[C@@H](NC(=O)N(C)Cc1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820339658 599473357 /nfs/dbraw/zinc/47/33/57/599473357.db2.gz FTVZDQYFNIEPJQ-GFCCVEGCSA-N -1 3 370.844 3.423 20 0 FGADHM Cc1cccc2c1CCN(C(=O)N[C@H](C)c1cccc(-c3nnn[n-]3)c1)C2 ZINC000822340889 599480020 /nfs/dbraw/zinc/48/00/20/599480020.db2.gz LPIFBVGPBAKGPL-CQSZACIVSA-N -1 3 362.437 3.004 20 0 FGADHM Cc1cccc2c1CCN(C(=O)N[C@H](C)c1cccc(-c3nn[n-]n3)c1)C2 ZINC000822340889 599480023 /nfs/dbraw/zinc/48/00/23/599480023.db2.gz LPIFBVGPBAKGPL-CQSZACIVSA-N -1 3 362.437 3.004 20 0 FGADHM CCO[C@H](C)c1noc(CS[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000736617986 599480976 /nfs/dbraw/zinc/48/09/76/599480976.db2.gz SZKJABZSKLRFAA-MNOVXSKESA-N -1 3 360.443 3.342 20 0 FGADHM CCO[C@H](C)c1noc(CS[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000736617986 599480977 /nfs/dbraw/zinc/48/09/77/599480977.db2.gz SZKJABZSKLRFAA-MNOVXSKESA-N -1 3 360.443 3.342 20 0 FGADHM Fc1ccc(NCc2ccc(OC3CCCC3)nc2)c(-c2nnn[n-]2)c1 ZINC000822783147 599483934 /nfs/dbraw/zinc/48/39/34/599483934.db2.gz XIBNNIKQKFNOCY-UHFFFAOYSA-N -1 3 354.389 3.334 20 0 FGADHM Fc1ccc(NCc2ccc(OC3CCCC3)nc2)c(-c2nn[n-]n2)c1 ZINC000822783147 599483936 /nfs/dbraw/zinc/48/39/36/599483936.db2.gz XIBNNIKQKFNOCY-UHFFFAOYSA-N -1 3 354.389 3.334 20 0 FGADHM Cc1ccc([C@@H]2CCCN2C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)o1 ZINC000822233098 599485196 /nfs/dbraw/zinc/48/51/96/599485196.db2.gz HWOZKPIUPOAXIQ-CJNGLKHVSA-N -1 3 366.425 3.376 20 0 FGADHM Cc1ccc([C@@H]2CCCN2C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)o1 ZINC000822233098 599485198 /nfs/dbraw/zinc/48/51/98/599485198.db2.gz HWOZKPIUPOAXIQ-CJNGLKHVSA-N -1 3 366.425 3.376 20 0 FGADHM FC(F)(F)CO[C@H]1CCCN(c2c(Cl)cccc2-c2nnn[n-]2)C1 ZINC000822718660 599486669 /nfs/dbraw/zinc/48/66/69/599486669.db2.gz NWOQAAHJNQVBEJ-VIFPVBQESA-N -1 3 361.755 3.068 20 0 FGADHM FC(F)(F)CO[C@H]1CCCN(c2c(Cl)cccc2-c2nn[n-]n2)C1 ZINC000822718660 599486672 /nfs/dbraw/zinc/48/66/72/599486672.db2.gz NWOQAAHJNQVBEJ-VIFPVBQESA-N -1 3 361.755 3.068 20 0 FGADHM C[C@H](Nc1c(-c2nnn[n-]2)cnc2ccccc21)c1c(F)cccc1F ZINC000820451276 599487272 /nfs/dbraw/zinc/48/72/72/599487272.db2.gz UPKXKXGCGWGRRK-JTQLQIEISA-N -1 3 352.348 3.288 20 0 FGADHM C[C@H](Nc1c(-c2nn[n-]n2)cnc2ccccc21)c1c(F)cccc1F ZINC000820451276 599487274 /nfs/dbraw/zinc/48/72/74/599487274.db2.gz UPKXKXGCGWGRRK-JTQLQIEISA-N -1 3 352.348 3.288 20 0 FGADHM CN(CCCCNc1c(-c2nnn[n-]2)cnc2ccccc21)c1ccccc1 ZINC000821599171 599489576 /nfs/dbraw/zinc/48/95/76/599489576.db2.gz IFAFRGMHUBZUGQ-UHFFFAOYSA-N -1 3 373.464 3.165 20 0 FGADHM CN(CCCCNc1c(-c2nn[n-]n2)cnc2ccccc21)c1ccccc1 ZINC000821599171 599489579 /nfs/dbraw/zinc/48/95/79/599489579.db2.gz IFAFRGMHUBZUGQ-UHFFFAOYSA-N -1 3 373.464 3.165 20 0 FGADHM C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736237276 599492511 /nfs/dbraw/zinc/49/25/11/599492511.db2.gz WOPXDQHFADZISB-DOMZBBRYSA-N -1 3 366.400 3.416 20 0 FGADHM C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736237276 599492513 /nfs/dbraw/zinc/49/25/13/599492513.db2.gz WOPXDQHFADZISB-DOMZBBRYSA-N -1 3 366.400 3.416 20 0 FGADHM O=C(Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1)[C@H]1CCCS1 ZINC000823443455 599495698 /nfs/dbraw/zinc/49/56/98/599495698.db2.gz CWUWUOVRPFAORH-MRXNPFEDSA-N -1 3 352.419 3.335 20 0 FGADHM O=C(Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1)[C@H]1CCCS1 ZINC000823443455 599495700 /nfs/dbraw/zinc/49/57/00/599495700.db2.gz CWUWUOVRPFAORH-MRXNPFEDSA-N -1 3 352.419 3.335 20 0 FGADHM C[C@H](Nc1ccc(F)cc1-c1nnn[n-]1)c1ccc(N2CCOC2=O)cc1 ZINC000820455344 599497118 /nfs/dbraw/zinc/49/71/18/599497118.db2.gz HLDRXQXJWBJXDA-NSHDSACASA-N -1 3 368.372 3.136 20 0 FGADHM C[C@H](Nc1ccc(F)cc1-c1nn[n-]n1)c1ccc(N2CCOC2=O)cc1 ZINC000820455344 599497121 /nfs/dbraw/zinc/49/71/21/599497121.db2.gz HLDRXQXJWBJXDA-NSHDSACASA-N -1 3 368.372 3.136 20 0 FGADHM C[C@@H](NC(=O)CCCOc1ccc(F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820321708 599498915 /nfs/dbraw/zinc/49/89/15/599498915.db2.gz LNKHWAYAEJHOCJ-CYBMUJFWSA-N -1 3 369.400 3.042 20 0 FGADHM C[C@@H](NC(=O)CCCOc1ccc(F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820321708 599498918 /nfs/dbraw/zinc/49/89/18/599498918.db2.gz LNKHWAYAEJHOCJ-CYBMUJFWSA-N -1 3 369.400 3.042 20 0 FGADHM Cc1nc(C(C)(C)NC(=O)Nc2cc(-c3nnn[n-]3)ccc2C)sc1C ZINC000737292067 599503096 /nfs/dbraw/zinc/50/30/96/599503096.db2.gz QYLDYTQDUMPRAP-UHFFFAOYSA-N -1 3 371.470 3.305 20 0 FGADHM Cc1nc(C(C)(C)NC(=O)Nc2cc(-c3nn[n-]n3)ccc2C)sc1C ZINC000737292067 599503097 /nfs/dbraw/zinc/50/30/97/599503097.db2.gz QYLDYTQDUMPRAP-UHFFFAOYSA-N -1 3 371.470 3.305 20 0 FGADHM C[C@H](NC(=O)[C@H]1SCCc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820321000 599503692 /nfs/dbraw/zinc/50/36/92/599503692.db2.gz AQLRJSRDIGYUMO-SJCJKPOMSA-N -1 3 365.462 3.075 20 0 FGADHM C[C@H](NC(=O)[C@H]1SCCc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820321000 599503694 /nfs/dbraw/zinc/50/36/94/599503694.db2.gz AQLRJSRDIGYUMO-SJCJKPOMSA-N -1 3 365.462 3.075 20 0 FGADHM Cc1ccc(SCC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c(C)c1 ZINC000822267446 599504990 /nfs/dbraw/zinc/50/49/90/599504990.db2.gz UCTZYJRTCLHVFA-AWEZNQCLSA-N -1 3 367.478 3.453 20 0 FGADHM Cc1ccc(SCC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c(C)c1 ZINC000822267446 599504991 /nfs/dbraw/zinc/50/49/91/599504991.db2.gz UCTZYJRTCLHVFA-AWEZNQCLSA-N -1 3 367.478 3.453 20 0 FGADHM CC(C)(C)c1cn2c(n1)CC[C@H](Nc1cc(Cl)ccc1-c1nnn[n-]1)C2 ZINC000819959118 599509968 /nfs/dbraw/zinc/50/99/68/599509968.db2.gz YWSMFQRFIQHOLY-LBPRGKRZSA-N -1 3 371.876 3.441 20 0 FGADHM CC(C)(C)c1cn2c(n1)CC[C@H](Nc1cc(Cl)ccc1-c1nn[n-]n1)C2 ZINC000819959118 599509971 /nfs/dbraw/zinc/50/99/71/599509971.db2.gz YWSMFQRFIQHOLY-LBPRGKRZSA-N -1 3 371.876 3.441 20 0 FGADHM C[C@@H](NC(=O)Cc1ccc2c(c1)CCCC2)c1cccc(-c2nnn[n-]2)c1 ZINC000820333419 599511666 /nfs/dbraw/zinc/51/16/66/599511666.db2.gz BAZBBVKWEAWDEO-CQSZACIVSA-N -1 3 361.449 3.165 20 0 FGADHM C[C@@H](NC(=O)Cc1ccc2c(c1)CCCC2)c1cccc(-c2nn[n-]n2)c1 ZINC000820333419 599511667 /nfs/dbraw/zinc/51/16/67/599511667.db2.gz BAZBBVKWEAWDEO-CQSZACIVSA-N -1 3 361.449 3.165 20 0 FGADHM C[C@H](NC(=O)c1cnc(Cl)c(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820403935 599519262 /nfs/dbraw/zinc/51/92/62/599519262.db2.gz NFUYSDJCSJMHNX-QMMMGPOBSA-N -1 3 363.208 3.060 20 0 FGADHM C[C@H](NC(=O)c1cnc(Cl)c(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820403935 599519264 /nfs/dbraw/zinc/51/92/64/599519264.db2.gz NFUYSDJCSJMHNX-QMMMGPOBSA-N -1 3 363.208 3.060 20 0 FGADHM Fc1ccc(N2CCC[C@@H]2c2cccc3c2OCCO3)c(-c2nnn[n-]2)c1 ZINC000822778216 599522653 /nfs/dbraw/zinc/52/26/53/599522653.db2.gz FUULDEXDECMRPI-OAHLLOKOSA-N -1 3 367.384 3.119 20 0 FGADHM Fc1ccc(N2CCC[C@@H]2c2cccc3c2OCCO3)c(-c2nn[n-]n2)c1 ZINC000822778216 599522654 /nfs/dbraw/zinc/52/26/54/599522654.db2.gz FUULDEXDECMRPI-OAHLLOKOSA-N -1 3 367.384 3.119 20 0 FGADHM C[C@H](NC(=O)c1cccc(C(F)(F)F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820397862 599524411 /nfs/dbraw/zinc/52/44/11/599524411.db2.gz VPOKSQMEQHDKFN-JTQLQIEISA-N -1 3 361.327 3.377 20 0 FGADHM C[C@H](NC(=O)c1cccc(C(F)(F)F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820397862 599524413 /nfs/dbraw/zinc/52/44/13/599524413.db2.gz VPOKSQMEQHDKFN-JTQLQIEISA-N -1 3 361.327 3.377 20 0 FGADHM O=C(c1ccc(F)cc1)[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000738267681 599534042 /nfs/dbraw/zinc/53/40/42/599534042.db2.gz OEMLMNWTUCZADU-OAHLLOKOSA-N -1 3 351.385 3.105 20 0 FGADHM C[C@@H](NC(=O)C(C)(C)Oc1ccc(F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820316644 599536120 /nfs/dbraw/zinc/53/61/20/599536120.db2.gz WMADQVUBYCPYQO-GFCCVEGCSA-N -1 3 369.400 3.041 20 0 FGADHM C[C@@H](NC(=O)C(C)(C)Oc1ccc(F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820316644 599536123 /nfs/dbraw/zinc/53/61/23/599536123.db2.gz WMADQVUBYCPYQO-GFCCVEGCSA-N -1 3 369.400 3.041 20 0 FGADHM Fc1ccc(OCCNc2c(Cl)cccc2-c2nnn[n-]2)cc1F ZINC000822783047 599543126 /nfs/dbraw/zinc/54/31/26/599543126.db2.gz SBBVEJITGHBMAB-UHFFFAOYSA-N -1 3 351.744 3.289 20 0 FGADHM Fc1ccc(OCCNc2c(Cl)cccc2-c2nn[n-]n2)cc1F ZINC000822783047 599543127 /nfs/dbraw/zinc/54/31/27/599543127.db2.gz SBBVEJITGHBMAB-UHFFFAOYSA-N -1 3 351.744 3.289 20 0 FGADHM C[C@H](Cc1ccccc1F)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736058076 599544241 /nfs/dbraw/zinc/54/42/41/599544241.db2.gz JKMBVPAQVJQTCH-GFCCVEGCSA-N -1 3 370.432 3.380 20 0 FGADHM C[C@H](Cc1ccccc1F)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736058076 599544243 /nfs/dbraw/zinc/54/42/43/599544243.db2.gz JKMBVPAQVJQTCH-GFCCVEGCSA-N -1 3 370.432 3.380 20 0 FGADHM CC[C@H](C)[C@@H]1CCCCN1C(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000736330282 599548378 /nfs/dbraw/zinc/54/83/78/599548378.db2.gz MEPOFLSSCJOJMJ-VBQJREDUSA-N -1 3 357.458 3.061 20 0 FGADHM Fc1ccc(NCCCOc2cccc3cccnc32)c(-c2nnn[n-]2)c1 ZINC000822779635 599548524 /nfs/dbraw/zinc/54/85/24/599548524.db2.gz ZHBXVQBOUXLHRB-UHFFFAOYSA-N -1 3 364.384 3.435 20 0 FGADHM Fc1ccc(NCCCOc2cccc3cccnc32)c(-c2nn[n-]n2)c1 ZINC000822779635 599548526 /nfs/dbraw/zinc/54/85/26/599548526.db2.gz ZHBXVQBOUXLHRB-UHFFFAOYSA-N -1 3 364.384 3.435 20 0 FGADHM CC[C@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccc(F)cc1F ZINC000736353342 599549779 /nfs/dbraw/zinc/54/97/79/599549779.db2.gz ARFQGPZAXBKLEG-JEJOPICUSA-N -1 3 369.375 3.426 20 0 FGADHM CC[C@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC000736353342 599549781 /nfs/dbraw/zinc/54/97/81/599549781.db2.gz ARFQGPZAXBKLEG-JEJOPICUSA-N -1 3 369.375 3.426 20 0 FGADHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2N1CC[C@@H](c2ccco2)C1 ZINC000822204431 599550019 /nfs/dbraw/zinc/55/00/19/599550019.db2.gz ORKZDEOLGODDMI-GFCCVEGCSA-N -1 3 364.384 3.449 20 0 FGADHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2N1CC[C@@H](c2ccco2)C1 ZINC000822204431 599550022 /nfs/dbraw/zinc/55/00/22/599550022.db2.gz ORKZDEOLGODDMI-GFCCVEGCSA-N -1 3 364.384 3.449 20 0 FGADHM Cc1ccc(-c2cnc(CN(C)Cc3cccc(-c4nn[n-]n4)c3)o2)cc1 ZINC000822214045 599560700 /nfs/dbraw/zinc/56/07/00/599560700.db2.gz MVXVLPQDNWOHDJ-UHFFFAOYSA-N -1 3 360.421 3.462 20 0 FGADHM CC(C)[C@H](C)NC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735709282 599561787 /nfs/dbraw/zinc/56/17/87/599561787.db2.gz QTCNQCKOQIMMSR-ZDUSSCGKSA-N -1 3 350.426 3.385 20 0 FGADHM Cc1ncc(CCNc2ccc(C(F)(F)F)cc2-c2nnn[n-]2)s1 ZINC000822466863 607383919 /nfs/dbraw/zinc/38/39/19/607383919.db2.gz DOVYXAGMFULGDE-UHFFFAOYSA-N -1 3 354.361 3.305 20 0 FGADHM Cc1ncc(CCNc2ccc(C(F)(F)F)cc2-c2nn[n-]n2)s1 ZINC000822466863 607383921 /nfs/dbraw/zinc/38/39/21/607383921.db2.gz DOVYXAGMFULGDE-UHFFFAOYSA-N -1 3 354.361 3.305 20 0 FGADHM CS[C@H]1CCC[C@@H](Nc2c(-c3nnn[n-]3)cnc3c(C)cccc32)C1 ZINC000821949148 599562058 /nfs/dbraw/zinc/56/20/58/599562058.db2.gz FNOBTGDHFYYPTM-OLZOCXBDSA-N -1 3 354.483 3.231 20 0 FGADHM CS[C@H]1CCC[C@@H](Nc2c(-c3nn[n-]n3)cnc3c(C)cccc32)C1 ZINC000821949148 599562060 /nfs/dbraw/zinc/56/20/60/599562060.db2.gz FNOBTGDHFYYPTM-OLZOCXBDSA-N -1 3 354.483 3.231 20 0 FGADHM C[C@@H]1CN(Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)c2ccccc21 ZINC000820768059 599564414 /nfs/dbraw/zinc/56/44/14/599564414.db2.gz LJMMWXMIRMDUBN-GFCCVEGCSA-N -1 3 359.393 3.040 20 0 FGADHM C[C@@H]1CN(Cc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)c2ccccc21 ZINC000820768059 599564416 /nfs/dbraw/zinc/56/44/16/599564416.db2.gz LJMMWXMIRMDUBN-GFCCVEGCSA-N -1 3 359.393 3.040 20 0 FGADHM CC(C)CC[C@@](C)(O)CNc1c(-c2nnn[n-]2)cnc2ccc(Cl)cc21 ZINC000820072325 599570189 /nfs/dbraw/zinc/57/01/89/599570189.db2.gz GEIFYVDMOVYSHD-GOSISDBHSA-N -1 3 374.876 3.089 20 0 FGADHM CC(C)CC[C@@](C)(O)CNc1c(-c2nn[n-]n2)cnc2ccc(Cl)cc21 ZINC000820072325 599570190 /nfs/dbraw/zinc/57/01/90/599570190.db2.gz GEIFYVDMOVYSHD-GOSISDBHSA-N -1 3 374.876 3.089 20 0 FGADHM C[C@@H]1CN(Cc2cn3ccccc3c2-c2nnn[n-]2)[C@H](c2ccccc2)CO1 ZINC000820758650 599594330 /nfs/dbraw/zinc/59/43/30/599594330.db2.gz AUIZJTXLXJHTIM-BEFAXECRSA-N -1 3 374.448 3.081 20 0 FGADHM C[C@@H]1CN(Cc2cn3ccccc3c2-c2nn[n-]n2)[C@H](c2ccccc2)CO1 ZINC000820758650 599594332 /nfs/dbraw/zinc/59/43/32/599594332.db2.gz AUIZJTXLXJHTIM-BEFAXECRSA-N -1 3 374.448 3.081 20 0 FGADHM Cc1cccc(C)c1CSCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000737388125 599598565 /nfs/dbraw/zinc/59/85/65/599598565.db2.gz BEPJCJZMOYBHLX-UHFFFAOYSA-N -1 3 353.451 3.355 20 0 FGADHM Cc1cccc(C)c1CSCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000737388125 599598567 /nfs/dbraw/zinc/59/85/67/599598567.db2.gz BEPJCJZMOYBHLX-UHFFFAOYSA-N -1 3 353.451 3.355 20 0 FGADHM Cc1ccc([C@@H](C)CNC(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737321284 599600838 /nfs/dbraw/zinc/60/08/38/599600838.db2.gz SJHXLSSNAHJELG-LSDHHAIUSA-N -1 3 364.453 3.339 20 0 FGADHM Cc1ccc([C@@H](C)CNC(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737321284 599600840 /nfs/dbraw/zinc/60/08/40/599600840.db2.gz SJHXLSSNAHJELG-LSDHHAIUSA-N -1 3 364.453 3.339 20 0 FGADHM C[C@H]1c2ccc(F)cc2CCN1C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736300763 599611371 /nfs/dbraw/zinc/61/13/71/599611371.db2.gz FOPODCDKFXWTFW-JTQLQIEISA-N -1 3 370.363 3.296 20 0 FGADHM C[C@H]1c2ccc(F)cc2CCN1C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736300763 599611372 /nfs/dbraw/zinc/61/13/72/599611372.db2.gz FOPODCDKFXWTFW-JTQLQIEISA-N -1 3 370.363 3.296 20 0 FGADHM Cc1ccc([C@@H](C)CNC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000737319998 599612165 /nfs/dbraw/zinc/61/21/65/599612165.db2.gz IKNCTODJGNEMEQ-LBPRGKRZSA-N -1 3 354.389 3.239 20 0 FGADHM Cc1ccc([C@@H](C)CNC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000737319998 599612167 /nfs/dbraw/zinc/61/21/67/599612167.db2.gz IKNCTODJGNEMEQ-LBPRGKRZSA-N -1 3 354.389 3.239 20 0 FGADHM Cc1c(Br)cccc1C(=O)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000822015467 599620911 /nfs/dbraw/zinc/62/09/11/599620911.db2.gz JZCYBNMRIQDELN-UHFFFAOYSA-N -1 3 359.183 3.157 20 0 FGADHM Cc1c(Br)cccc1C(=O)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000822015467 599620912 /nfs/dbraw/zinc/62/09/12/599620912.db2.gz JZCYBNMRIQDELN-UHFFFAOYSA-N -1 3 359.183 3.157 20 0 FGADHM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)Oc1ccc(-c2nnn[n-]2)cc1OC ZINC000820939450 599629311 /nfs/dbraw/zinc/62/93/11/599629311.db2.gz URZOOGAXBRTBJA-CFVMTHIKSA-N -1 3 374.441 3.155 20 0 FGADHM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)Oc1ccc(-c2nn[n-]n2)cc1OC ZINC000820939450 599629312 /nfs/dbraw/zinc/62/93/12/599629312.db2.gz URZOOGAXBRTBJA-CFVMTHIKSA-N -1 3 374.441 3.155 20 0 FGADHM C[C@@H]1CCN(Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)c2ccccc21 ZINC000820727363 599635824 /nfs/dbraw/zinc/63/58/24/599635824.db2.gz LJFZAIDDMXDHNR-CYBMUJFWSA-N -1 3 373.420 3.431 20 0 FGADHM C[C@@H]1CCN(Cc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)c2ccccc21 ZINC000820727363 599635825 /nfs/dbraw/zinc/63/58/25/599635825.db2.gz LJFZAIDDMXDHNR-CYBMUJFWSA-N -1 3 373.420 3.431 20 0 FGADHM CCCCN(Cc1ccc(-c2nnn[n-]2)cc1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000821065679 599640169 /nfs/dbraw/zinc/64/01/69/599640169.db2.gz LNULXNJRACEJLS-UHFFFAOYSA-N -1 3 363.425 3.255 20 0 FGADHM CCCCN(Cc1ccc(-c2nn[n-]n2)cc1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000821065679 599640170 /nfs/dbraw/zinc/64/01/70/599640170.db2.gz LNULXNJRACEJLS-UHFFFAOYSA-N -1 3 363.425 3.255 20 0 FGADHM Cc1ncccc1NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000822472402 599657303 /nfs/dbraw/zinc/65/73/03/599657303.db2.gz RNWAHJKNZWPKNW-UHFFFAOYSA-N -1 3 373.376 3.010 20 0 FGADHM Cc1ncccc1NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000822472402 599657304 /nfs/dbraw/zinc/65/73/04/599657304.db2.gz RNWAHJKNZWPKNW-UHFFFAOYSA-N -1 3 373.376 3.010 20 0 FGADHM C[C@@H](NC(=O)NC12CC3CC(CC(C3)C1)C2)c1cccc(-c2nnn[n-]2)c1 ZINC000820358865 599665138 /nfs/dbraw/zinc/66/51/38/599665138.db2.gz PTDHLVVNUHGUOI-JSFDKUKPSA-N -1 3 366.469 3.196 20 0 FGADHM C[C@@H](NC(=O)NC12CC3CC(CC(C3)C1)C2)c1cccc(-c2nn[n-]n2)c1 ZINC000820358865 599665139 /nfs/dbraw/zinc/66/51/39/599665139.db2.gz PTDHLVVNUHGUOI-JSFDKUKPSA-N -1 3 366.469 3.196 20 0 FGADHM CCCCCC[C@@H](C)C(=O)O[C@@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000821051200 599665174 /nfs/dbraw/zinc/66/51/74/599665174.db2.gz ZJWHFPDHQNHANL-KGLIPLIRSA-N -1 3 373.457 3.343 20 0 FGADHM CCCCCC[C@@H](C)C(=O)O[C@@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000821051200 599665175 /nfs/dbraw/zinc/66/51/75/599665175.db2.gz ZJWHFPDHQNHANL-KGLIPLIRSA-N -1 3 373.457 3.343 20 0 FGADHM C[C@H](CCc1ccccc1F)C(=O)OCc1cc(-c2nnn[n-]2)ccc1F ZINC000820254776 599669721 /nfs/dbraw/zinc/66/97/21/599669721.db2.gz WYDXTLISHJEPDQ-GFCCVEGCSA-N -1 3 372.375 3.457 20 0 FGADHM C[C@H](CCc1ccccc1F)C(=O)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000820254776 599669722 /nfs/dbraw/zinc/66/97/22/599669722.db2.gz WYDXTLISHJEPDQ-GFCCVEGCSA-N -1 3 372.375 3.457 20 0 FGADHM Cc1cccc(C(C)(C)NC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)c1 ZINC000822288612 599678981 /nfs/dbraw/zinc/67/89/81/599678981.db2.gz CYSBPZOGTSGRJU-UHFFFAOYSA-N -1 3 368.416 3.049 20 0 FGADHM Cc1cccc(C(C)(C)NC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC000822288612 599678982 /nfs/dbraw/zinc/67/89/82/599678982.db2.gz CYSBPZOGTSGRJU-UHFFFAOYSA-N -1 3 368.416 3.049 20 0 FGADHM COc1ccc(C2CCN(c3ccc(F)cc3-c3nnn[n-]3)CC2)cc1 ZINC000821787330 599686559 /nfs/dbraw/zinc/68/65/59/599686559.db2.gz RMOCYYUQACPGEW-UHFFFAOYSA-N -1 3 353.401 3.398 20 0 FGADHM COc1ccc(C2CCN(c3ccc(F)cc3-c3nn[n-]n3)CC2)cc1 ZINC000821787330 599686560 /nfs/dbraw/zinc/68/65/60/599686560.db2.gz RMOCYYUQACPGEW-UHFFFAOYSA-N -1 3 353.401 3.398 20 0 FGADHM CCC1(CNc2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)CCOCC1 ZINC000820961876 599689005 /nfs/dbraw/zinc/68/90/05/599689005.db2.gz DRWMNOCVAASUAG-UHFFFAOYSA-N -1 3 372.860 3.109 20 0 FGADHM CCC1(CNc2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)CCOCC1 ZINC000820961876 599689006 /nfs/dbraw/zinc/68/90/06/599689006.db2.gz DRWMNOCVAASUAG-UHFFFAOYSA-N -1 3 372.860 3.109 20 0 FGADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2cccc3cnccc32)s1 ZINC000821465430 599689663 /nfs/dbraw/zinc/68/96/63/599689663.db2.gz GRBYGSAINQAKSS-UHFFFAOYSA-N -1 3 350.407 3.291 20 0 FGADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2cccc3cnccc32)s1 ZINC000821465430 599689664 /nfs/dbraw/zinc/68/96/64/599689664.db2.gz GRBYGSAINQAKSS-UHFFFAOYSA-N -1 3 350.407 3.291 20 0 FGADHM COc1ccc(-c2cnc(CNc3ccc(F)c(-c4nnn[n-]4)c3)o2)cc1 ZINC000821732390 599691726 /nfs/dbraw/zinc/69/17/26/599691726.db2.gz NPKZNXUHDWCGEC-UHFFFAOYSA-N -1 3 366.356 3.282 20 0 FGADHM COc1ccc(-c2cnc(CNc3ccc(F)c(-c4nn[n-]n4)c3)o2)cc1 ZINC000821732390 599691727 /nfs/dbraw/zinc/69/17/27/599691727.db2.gz NPKZNXUHDWCGEC-UHFFFAOYSA-N -1 3 366.356 3.282 20 0 FGADHM Cc1ccc(F)cc1NC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826289561 607391288 /nfs/dbraw/zinc/39/12/88/607391288.db2.gz FURIKFIOSDCEAW-UHFFFAOYSA-N -1 3 352.373 3.125 20 0 FGADHM Cc1ccc(F)cc1NC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826289561 607391290 /nfs/dbraw/zinc/39/12/90/607391290.db2.gz FURIKFIOSDCEAW-UHFFFAOYSA-N -1 3 352.373 3.125 20 0 FGADHM COC(=O)c1cccc(CN[C@@H](C(=O)[O-])c2ccccc2C(F)(F)F)c1 ZINC000737709254 599791694 /nfs/dbraw/zinc/79/16/94/599791694.db2.gz PJDCLEIGLVPXBQ-OAHLLOKOSA-N -1 3 367.323 3.408 20 0 FGADHM CCCN(Cc1occc1C(=O)[O-])[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000737020026 599794371 /nfs/dbraw/zinc/79/43/71/599794371.db2.gz DCVXJUDHJWGFTM-CYBMUJFWSA-N -1 3 352.431 3.199 20 0 FGADHM O=C([O-])CCc1ccc(NC(=O)N2CCN(CC3CCCCC3)CC2)cc1 ZINC000739758463 599825176 /nfs/dbraw/zinc/82/51/76/599825176.db2.gz FGBKLJOKAGMICP-UHFFFAOYSA-N -1 3 373.497 3.434 20 0 FGADHM O=C([O-])N1CCC[C@@H](NCc2cc3ccccc3nc2N2CCCCC2)C1 ZINC000739925491 599860188 /nfs/dbraw/zinc/86/01/88/599860188.db2.gz BIYUFKXEEQGKKZ-GOSISDBHSA-N -1 3 368.481 3.457 20 0 FGADHM CC(C)Oc1ccc(NC(=O)CO[C@H]2CCC[C@@H](C)C2)cc1-c1nnn[n-]1 ZINC000820698269 607402434 /nfs/dbraw/zinc/40/24/34/607402434.db2.gz SCPPZLVWKIDDLH-HIFRSBDPSA-N -1 3 373.457 3.188 20 0 FGADHM CC(C)Oc1ccc(NC(=O)CO[C@H]2CCC[C@@H](C)C2)cc1-c1nn[n-]n1 ZINC000820698269 607402436 /nfs/dbraw/zinc/40/24/36/607402436.db2.gz SCPPZLVWKIDDLH-HIFRSBDPSA-N -1 3 373.457 3.188 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)C[C@@H]1CCOc2ccccc21 ZINC000826253454 607403521 /nfs/dbraw/zinc/40/35/21/607403521.db2.gz RCAHIQBXESUYJE-AWEZNQCLSA-N -1 3 364.405 3.175 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)C[C@@H]1CCOc2ccccc21 ZINC000826253454 607403523 /nfs/dbraw/zinc/40/35/23/607403523.db2.gz RCAHIQBXESUYJE-AWEZNQCLSA-N -1 3 364.405 3.175 20 0 FGADHM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)OCc1ccc(-c2nnn[n-]2)cc1C ZINC000826253162 607408115 /nfs/dbraw/zinc/40/81/15/607408115.db2.gz HDJWBOSSGYQQNQ-CABCVRRESA-N -1 3 354.435 3.392 20 0 FGADHM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)OCc1ccc(-c2nn[n-]n2)cc1C ZINC000826253162 607408117 /nfs/dbraw/zinc/40/81/17/607408117.db2.gz HDJWBOSSGYQQNQ-CABCVRRESA-N -1 3 354.435 3.392 20 0 FGADHM Cc1cc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2C)nn1-c1ccccc1 ZINC000826253929 607410167 /nfs/dbraw/zinc/41/01/67/607410167.db2.gz LMDUFDIOQFNXEM-UHFFFAOYSA-N -1 3 374.404 3.026 20 0 FGADHM Cc1cc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2C)nn1-c1ccccc1 ZINC000826253929 607410169 /nfs/dbraw/zinc/41/01/69/607410169.db2.gz LMDUFDIOQFNXEM-UHFFFAOYSA-N -1 3 374.404 3.026 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)COc1ccccc1C(C)C ZINC000826254196 607411982 /nfs/dbraw/zinc/41/19/82/607411982.db2.gz ZKVKZJSRZCUUOJ-UHFFFAOYSA-N -1 3 366.421 3.421 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)COc1ccccc1C(C)C ZINC000826254196 607411983 /nfs/dbraw/zinc/41/19/83/607411983.db2.gz ZKVKZJSRZCUUOJ-UHFFFAOYSA-N -1 3 366.421 3.421 20 0 FGADHM O=C([O-])c1ccc(CCC(=O)N[C@@H](CN2CCCC2)c2ccccc2)cc1 ZINC000739251083 600038273 /nfs/dbraw/zinc/03/82/73/600038273.db2.gz GUFMKVBQSWEEOW-FQEVSTJZSA-N -1 3 366.461 3.271 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)C=C(C)c1ccccc1 ZINC000821742101 607415754 /nfs/dbraw/zinc/41/57/54/607415754.db2.gz ZPNAGHDKPPLCSZ-RAXLEYEMSA-N -1 3 350.378 3.022 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)C=C(C)c1ccccc1 ZINC000821742101 607415755 /nfs/dbraw/zinc/41/57/55/607415755.db2.gz ZPNAGHDKPPLCSZ-RAXLEYEMSA-N -1 3 350.378 3.022 20 0 FGADHM O=C(NC1(c2cccc(-c3nnn[n-]3)c2)CC1)[C@H]1CCCc2sccc21 ZINC000826427903 607416607 /nfs/dbraw/zinc/41/66/07/607416607.db2.gz GNEWIWDNURNXOS-HNNXBMFYSA-N -1 3 365.462 3.154 20 0 FGADHM O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)[C@H]1CCCc2sccc21 ZINC000826427903 607416608 /nfs/dbraw/zinc/41/66/08/607416608.db2.gz GNEWIWDNURNXOS-HNNXBMFYSA-N -1 3 365.462 3.154 20 0 FGADHM O=C(Cc1ccc2ccccc2c1)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826422496 607420410 /nfs/dbraw/zinc/42/04/10/607420410.db2.gz BOQOQUAZEYORAQ-UHFFFAOYSA-N -1 3 369.428 3.368 20 0 FGADHM O=C(Cc1ccc2ccccc2c1)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826422496 607420411 /nfs/dbraw/zinc/42/04/11/607420411.db2.gz BOQOQUAZEYORAQ-UHFFFAOYSA-N -1 3 369.428 3.368 20 0 FGADHM Cc1c2ccccc2oc1C(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826234397 607420780 /nfs/dbraw/zinc/42/07/80/607420780.db2.gz ULQMWVZVJMMYNR-UHFFFAOYSA-N -1 3 359.389 3.340 20 0 FGADHM Cc1c2ccccc2oc1C(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826234397 607420782 /nfs/dbraw/zinc/42/07/82/607420782.db2.gz ULQMWVZVJMMYNR-UHFFFAOYSA-N -1 3 359.389 3.340 20 0 FGADHM CS[C@@H]1CCCCN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC000821956475 607424644 /nfs/dbraw/zinc/42/46/44/607424644.db2.gz PMRYNKUHYPZYCL-LLVKDONJSA-N -1 3 366.878 3.270 20 0 FGADHM CS[C@@H]1CCCCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC000821956475 607424646 /nfs/dbraw/zinc/42/46/46/607424646.db2.gz PMRYNKUHYPZYCL-LLVKDONJSA-N -1 3 366.878 3.270 20 0 FGADHM CN(C(=O)OC(C)(C)C)C1CCN([C@@H](C(=O)[O-])c2ccc(F)cc2)CC1 ZINC000737337242 600168443 /nfs/dbraw/zinc/16/84/43/600168443.db2.gz WGZWCOUDRYHDLL-MRXNPFEDSA-N -1 3 366.433 3.283 20 0 FGADHM Cc1cc(NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)c(C(=O)[O-])[nH]1 ZINC000738422692 600168589 /nfs/dbraw/zinc/16/85/89/600168589.db2.gz OAFBSAXJHRNUHB-AWEZNQCLSA-N -1 3 359.401 3.011 20 0 FGADHM O=C([O-])CCN(Cc1ccc(F)c(F)c1)C[C@@H]1COc2ccccc2O1 ZINC000739720037 600375795 /nfs/dbraw/zinc/37/57/95/600375795.db2.gz GUGOZPLVRYASDV-CQSZACIVSA-N -1 3 363.360 3.082 20 0 FGADHM CC(C)(C)CCN1CCN(C(=O)Nc2ccc(C(=O)[O-])cc2F)CC1 ZINC000736248669 600398400 /nfs/dbraw/zinc/39/84/00/600398400.db2.gz NRAGLKWJZSGSQC-UHFFFAOYSA-N -1 3 351.422 3.110 20 0 FGADHM CCc1ccc([C@H]2CCCN2C[C@H](O)COc2ccc(C(=O)[O-])cc2)o1 ZINC000577499619 600410781 /nfs/dbraw/zinc/41/07/81/600410781.db2.gz DHHMTNOYSQKSJT-MAUKXSAKSA-N -1 3 359.422 3.117 20 0 FGADHM CN(C(=O)c1cc2ccc(F)cc2s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825825810 607442155 /nfs/dbraw/zinc/44/21/55/607442155.db2.gz JSFPHQVZIZYDQM-UHFFFAOYSA-N -1 3 353.382 3.497 20 0 FGADHM CN(C(=O)c1cc2ccc(F)cc2s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825825810 607442158 /nfs/dbraw/zinc/44/21/58/607442158.db2.gz JSFPHQVZIZYDQM-UHFFFAOYSA-N -1 3 353.382 3.497 20 0 FGADHM O=C(NC1(c2cccc(-c3nn[nH]n3)c2)CC1)c1cc2ccccc2cc1[O-] ZINC000826427816 607447215 /nfs/dbraw/zinc/44/72/15/607447215.db2.gz BUDHSNJUQDFCFY-UHFFFAOYSA-N -1 3 371.400 3.145 20 0 FGADHM O=C([O-])Nc1ccccc1C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000740048144 600498605 /nfs/dbraw/zinc/49/86/05/600498605.db2.gz YWOKKGUCYBVIEE-MRXNPFEDSA-N -1 3 353.422 3.171 20 0 FGADHM Cc1cc(C)cc([C@H](C)N[C@@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)c1 ZINC000738364108 600524233 /nfs/dbraw/zinc/52/42/33/600524233.db2.gz SIAXYUJNZBJPEN-HOTGVXAUSA-N -1 3 354.450 3.357 20 0 FGADHM Cc1ccc(-c2[nH]nc(NC(=O)c3ccc(-c4nn[n-]n4)cc3C)c2C)o1 ZINC000826273779 607463134 /nfs/dbraw/zinc/46/31/34/607463134.db2.gz UAZMCMWBAXAICF-UHFFFAOYSA-N -1 3 363.381 3.027 20 0 FGADHM O=C([O-])CCN(Cc1coc(-c2cccc(Cl)c2)n1)C1CCOCC1 ZINC000647366909 600859325 /nfs/dbraw/zinc/85/93/25/600859325.db2.gz YJHAPAFCQSAWLZ-UHFFFAOYSA-N -1 3 364.829 3.451 20 0 FGADHM C[C@@H]1CN([C@@H](C(=O)[O-])c2ccccc2F)CC[C@H]1NC(=O)OC(C)(C)C ZINC000828414457 601015434 /nfs/dbraw/zinc/01/54/34/601015434.db2.gz ZVRKIVUHLQGWHC-DAXOMENPSA-N -1 3 366.433 3.187 20 0 FGADHM C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000828296109 601108719 /nfs/dbraw/zinc/10/87/19/601108719.db2.gz UNZUFTUNEBDQBA-NZSAHSFTSA-N -1 3 358.482 3.000 20 0 FGADHM CC(C)c1cnc(CN(C)[C@@H]2CCN(Cc3ccc(C(=O)[O-])cc3)C2)o1 ZINC000653372083 601114719 /nfs/dbraw/zinc/11/47/19/601114719.db2.gz POMJOPWASUKQGS-QGZVFWFLSA-N -1 3 357.454 3.203 20 0 FGADHM Cn1cc(C[C@H]2CCN([C@H](C(=O)[O-])c3ccc(Cl)cc3Cl)C2)cn1 ZINC000833043759 601118483 /nfs/dbraw/zinc/11/84/83/601118483.db2.gz HGGNIYCJTPFGTD-BZNIZROVSA-N -1 3 368.264 3.417 20 0 FGADHM CSc1cccc(NC(=O)CN[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])c1 ZINC000832785990 601203673 /nfs/dbraw/zinc/20/36/73/601203673.db2.gz UQNULCNUJDFXIA-SCLBCKFNSA-N -1 3 358.463 3.399 20 0 FGADHM C[C@H](C(=O)[O-])[C@@H](NCC(=O)Nc1cc(Cl)ccc1F)c1ccccc1 ZINC000826054555 601204074 /nfs/dbraw/zinc/20/40/74/601204074.db2.gz OHDJPNQOPORFTP-APPDUMDISA-N -1 3 364.804 3.469 20 0 FGADHM CCc1oc(C(=O)[O-])cc1CN1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000830368946 601412437 /nfs/dbraw/zinc/41/24/37/601412437.db2.gz GFGOTMSYDPPAQC-CQSZACIVSA-N -1 3 372.469 3.238 20 0 FGADHM O=C([O-])[C@H](c1ccccc1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000833173889 601458169 /nfs/dbraw/zinc/45/81/69/601458169.db2.gz XPBMZVRXPFZZEC-SFHVURJKSA-N -1 3 351.406 3.205 20 0 FGADHM C[C@H](C(=O)[O-])[C@H](NCC(=O)Nc1nc2ccccc2s1)c1ccccc1 ZINC000826054254 601651414 /nfs/dbraw/zinc/65/14/14/601651414.db2.gz LMYFAAXCFRVHOH-SJCJKPOMSA-N -1 3 369.446 3.286 20 0 FGADHM O=C([O-])[C@@H](NC(=O)c1cccc(CN2CCCC2)c1)c1ccc(Cl)cc1 ZINC000833124435 601698846 /nfs/dbraw/zinc/69/88/46/601698846.db2.gz ANOAQYIZOBRZFH-SFHVURJKSA-N -1 3 372.852 3.492 20 0 FGADHM Cc1nc(-c2ccc(Cl)c(Cl)c2)n(CN2C[C@H](C)[C@H](C(=O)[O-])C2)n1 ZINC000832990783 601813519 /nfs/dbraw/zinc/81/35/19/601813519.db2.gz BQOULVVISQRBID-JOYOIKCWSA-N -1 3 369.252 3.170 20 0 FGADHM O=C([O-])c1sccc1CN1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000833347446 601822548 /nfs/dbraw/zinc/82/25/48/601822548.db2.gz DWZODAANQLDFIK-UHFFFAOYSA-N -1 3 370.434 3.271 20 0 FGADHM Cc1ccc(C(=O)[O-])cc1NC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000397998304 601882155 /nfs/dbraw/zinc/88/21/55/601882155.db2.gz UPHPJZYUIPPNIU-MAUKXSAKSA-N -1 3 367.449 3.478 20 0 FGADHM CN(C)CCN(C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1)C1CCCC1 ZINC000830604541 602199780 /nfs/dbraw/zinc/19/97/80/602199780.db2.gz QDJZPFOWCKCNPM-UHFFFAOYSA-N -1 3 353.850 3.376 20 0 FGADHM COc1cc(OC)cc(N2CCCN([C@H](C)c3ccc(C(=O)[O-])o3)CC2)c1 ZINC000832087847 602241695 /nfs/dbraw/zinc/24/16/95/602241695.db2.gz CZACTJYMXSFQKE-CQSZACIVSA-N -1 3 374.437 3.268 20 0 FGADHM CN(C)[C@@H](CNC(=O)Nc1ccc2c(c1)CCN2C(=O)[O-])c1ccccc1 ZINC000739609731 602279902 /nfs/dbraw/zinc/27/99/02/602279902.db2.gz XRWBSRXUQZJKCI-SFHVURJKSA-N -1 3 368.437 3.152 20 0 FGADHM CN(C(=O)CCc1ccc(C(=O)[O-])cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000830471385 602401168 /nfs/dbraw/zinc/40/11/68/602401168.db2.gz DOMYURPERWXRTF-FQEVSTJZSA-N -1 3 366.461 3.050 20 0 FGADHM CN(C(=O)[O-])C1CCN(Cc2ccc(OCc3ccncc3)cc2)CC1 ZINC000737937951 602537963 /nfs/dbraw/zinc/53/79/63/602537963.db2.gz PIUGQISTRQIFOE-UHFFFAOYSA-N -1 3 355.438 3.235 20 0 FGADHM O=C([O-])Nc1ccc(NC(=O)NCCCN2CCc3ccccc3C2)cc1 ZINC000740710344 602602929 /nfs/dbraw/zinc/60/29/29/602602929.db2.gz ADYZYKWQXSMDLJ-UHFFFAOYSA-N -1 3 368.437 3.346 20 0 FGADHM C[C@@H]1CN(Cc2ccc(C(=O)Nc3ccccc3)cc2)CC[C@H]1NC(=O)[O-] ZINC000739184343 602771776 /nfs/dbraw/zinc/77/17/76/602771776.db2.gz KFMBZNXXHRQLJT-DNVCBOLYSA-N -1 3 367.449 3.417 20 0 FGADHM CCCCCN(C(C)C)S(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000825271939 607592103 /nfs/dbraw/zinc/59/21/03/607592103.db2.gz RGRWXSSKJDJXJU-UHFFFAOYSA-N -1 3 371.894 3.109 20 0 FGADHM COc1ccc(COC(=O)C(C)(C)c2ccccc2C)cc1-c1nnn[n-]1 ZINC000826204400 607604232 /nfs/dbraw/zinc/60/42/32/607604232.db2.gz JJGNZCCDAGLESM-UHFFFAOYSA-N -1 3 366.421 3.205 20 0 FGADHM COc1ccc(COC(=O)C(C)(C)c2ccccc2C)cc1-c1nn[n-]n1 ZINC000826204400 607604234 /nfs/dbraw/zinc/60/42/34/607604234.db2.gz JJGNZCCDAGLESM-UHFFFAOYSA-N -1 3 366.421 3.205 20 0 FGADHM COc1ccc(COC(=O)CC/C=C\c2ccccc2)cc1-c1nnn[n-]1 ZINC000826205267 607609054 /nfs/dbraw/zinc/60/90/54/607609054.db2.gz QNDIZPUCSJMMCZ-UITAMQMPSA-N -1 3 364.405 3.412 20 0 FGADHM COc1ccc(COC(=O)CC/C=C\c2ccccc2)cc1-c1nn[n-]n1 ZINC000826205267 607609056 /nfs/dbraw/zinc/60/90/56/607609056.db2.gz QNDIZPUCSJMMCZ-UITAMQMPSA-N -1 3 364.405 3.412 20 0 FGADHM COc1cc2c(cc1CNC[C@@H](NC(=O)[O-])c1ccccc1)O[C@H](C)C2 ZINC000829224143 603175152 /nfs/dbraw/zinc/17/51/52/603175152.db2.gz HGUATRLTMIXUNP-CXAGYDPISA-N -1 3 356.422 3.117 20 0 FGADHM C[C@H](C(=O)NC[C@@H](c1ccccc1)N(C)C)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823693777 603222749 /nfs/dbraw/zinc/22/27/49/603222749.db2.gz MRYNCZWQPZZTPJ-SNRMKQJTSA-N -1 3 369.465 3.051 20 0 FGADHM CCCc1ccccc1NC(=O)NCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000825348507 607617047 /nfs/dbraw/zinc/61/70/47/607617047.db2.gz NVHVJMKYJSFZKC-UHFFFAOYSA-N -1 3 366.425 3.150 20 0 FGADHM CCCc1ccccc1NC(=O)NCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000825348507 607617048 /nfs/dbraw/zinc/61/70/48/607617048.db2.gz NVHVJMKYJSFZKC-UHFFFAOYSA-N -1 3 366.425 3.150 20 0 FGADHM C[C@H](C(=O)N[C@@H](CN(C)C)c1ccccc1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823677774 603254580 /nfs/dbraw/zinc/25/45/80/603254580.db2.gz NTSFGPUGJRYBSZ-ZYSHUDEJSA-N -1 3 369.465 3.051 20 0 FGADHM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)N[C@@H](C)CN1CCCCC1 ZINC000829173094 603322911 /nfs/dbraw/zinc/32/29/11/603322911.db2.gz DFHYOJHCJMYQJA-NSHDSACASA-N -1 3 369.849 3.043 20 0 FGADHM COc1ccc(CNC(=O)N(CC(C)C)CC(C)(C)C)cc1-c1nnn[n-]1 ZINC000826198291 607626444 /nfs/dbraw/zinc/62/64/44/607626444.db2.gz UDTNNSTWVOQSKB-UHFFFAOYSA-N -1 3 374.489 3.089 20 0 FGADHM COc1ccc(CNC(=O)N(CC(C)C)CC(C)(C)C)cc1-c1nn[n-]n1 ZINC000826198291 607626446 /nfs/dbraw/zinc/62/64/46/607626446.db2.gz UDTNNSTWVOQSKB-UHFFFAOYSA-N -1 3 374.489 3.089 20 0 FGADHM CCN1CCN(c2ccc(NCc3ccc(NC(=O)[O-])nc3)c(C)c2)CC1 ZINC000827226888 603538651 /nfs/dbraw/zinc/53/86/51/603538651.db2.gz ARBDVYJHBUYEAZ-UHFFFAOYSA-N -1 3 369.469 3.234 20 0 FGADHM CN(Cc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)C(=O)OC(C)(C)C ZINC000825992298 607645661 /nfs/dbraw/zinc/64/56/61/607645661.db2.gz UFGTYONIHRKAHB-UHFFFAOYSA-N -1 3 372.454 3.357 20 0 FGADHM CN(Cc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)C(=O)OC(C)(C)C ZINC000825992298 607645663 /nfs/dbraw/zinc/64/56/63/607645663.db2.gz UFGTYONIHRKAHB-UHFFFAOYSA-N -1 3 372.454 3.357 20 0 FGADHM Cc1ccc(C(=O)N(CCN(C)C)Cc2cccs2)cc1NC(=O)[O-] ZINC000830188675 603784256 /nfs/dbraw/zinc/78/42/56/603784256.db2.gz ZJWBBGSGGSEKTL-UHFFFAOYSA-N -1 3 361.467 3.350 20 0 FGADHM CN(C(=O)[O-])[C@H]1CCN(CCC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000827883520 603849423 /nfs/dbraw/zinc/84/94/23/603849423.db2.gz YWTAQFTZMSEEGW-JTQLQIEISA-N -1 3 360.241 3.006 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCCC[C@H]1Cc1ccccc1 ZINC000826245434 607678237 /nfs/dbraw/zinc/67/82/37/607678237.db2.gz XUSLEQWBIFHEMH-SFHVURJKSA-N -1 3 361.449 3.413 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCCC[C@H]1Cc1ccccc1 ZINC000826245434 607678238 /nfs/dbraw/zinc/67/82/38/607678238.db2.gz XUSLEQWBIFHEMH-SFHVURJKSA-N -1 3 361.449 3.413 20 0 FGADHM O=C(NCCC(c1ccccc1)c1ccccc1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826436558 607681796 /nfs/dbraw/zinc/68/17/96/607681796.db2.gz YILMKYOXUXLRHE-UHFFFAOYSA-N -1 3 372.432 3.147 20 0 FGADHM O=C(NCCC(c1ccccc1)c1ccccc1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826436558 607681797 /nfs/dbraw/zinc/68/17/97/607681797.db2.gz YILMKYOXUXLRHE-UHFFFAOYSA-N -1 3 372.432 3.147 20 0 FGADHM COc1cc(F)c([C@@H](C)NCC[C@@H]2CCCN(C(=O)[O-])C2)cc1OC ZINC000829134774 604300005 /nfs/dbraw/zinc/30/00/05/604300005.db2.gz HUTXMSQSNASYAO-OLZOCXBDSA-N -1 3 354.422 3.274 20 0 FGADHM Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000832961678 604378490 /nfs/dbraw/zinc/37/84/90/604378490.db2.gz JIYOTPVDPPSYOL-APWZRJJASA-N -1 3 368.408 3.280 20 0 FGADHM C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000824762481 607693314 /nfs/dbraw/zinc/69/33/14/607693314.db2.gz GJPCKMHULCTVRC-QMMMGPOBSA-N -1 3 365.224 3.335 20 0 FGADHM C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000824762481 607693315 /nfs/dbraw/zinc/69/33/15/607693315.db2.gz GJPCKMHULCTVRC-QMMMGPOBSA-N -1 3 365.224 3.335 20 0 FGADHM Cc1nc(Cl)ccc1C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC000826326559 607705910 /nfs/dbraw/zinc/70/59/10/607705910.db2.gz VGRVAKKANYLPFY-UHFFFAOYSA-N -1 3 372.816 3.263 20 0 FGADHM Cc1nc(Cl)ccc1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC000826326559 607705911 /nfs/dbraw/zinc/70/59/11/607705911.db2.gz VGRVAKKANYLPFY-UHFFFAOYSA-N -1 3 372.816 3.263 20 0 FGADHM CC(C)c1ccccc1OCCC(=O)N(C)c1cccc(-c2nnn[n-]2)c1 ZINC000824353159 607706340 /nfs/dbraw/zinc/70/63/40/607706340.db2.gz ZAOJLRYTBCDZRV-UHFFFAOYSA-N -1 3 365.437 3.422 20 0 FGADHM CC(C)c1ccccc1OCCC(=O)N(C)c1cccc(-c2nn[n-]n2)c1 ZINC000824353159 607706341 /nfs/dbraw/zinc/70/63/41/607706341.db2.gz ZAOJLRYTBCDZRV-UHFFFAOYSA-N -1 3 365.437 3.422 20 0 FGADHM COc1ccccc1[C@@H](CN[C@@H](C)c1ccc2c(c1)OCCO2)NC(=O)[O-] ZINC000829597650 604759858 /nfs/dbraw/zinc/75/98/58/604759858.db2.gz JNZGVPDAABQLIT-XJKSGUPXSA-N -1 3 372.421 3.126 20 0 FGADHM CN(C(=O)c1cccc(NC(=O)[O-])c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000827946139 604899715 /nfs/dbraw/zinc/89/97/15/604899715.db2.gz ZVIAJIVHQWSFOV-GOSISDBHSA-N -1 3 353.422 3.123 20 0 FGADHM C[C@@H](C(=O)Nc1cccc(Cl)c1)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000833410273 604952814 /nfs/dbraw/zinc/95/28/14/604952814.db2.gz WNLDVCACIHHNSM-STQMWFEESA-N -1 3 352.862 3.490 20 0 FGADHM C[C@@H]1[C@@H](c2ccccc2)c2ccccc2CCN1Cn1cc(C(=O)[O-])nn1 ZINC000828151622 604974834 /nfs/dbraw/zinc/97/48/34/604974834.db2.gz XEKNYLLXWSJKQO-QRWLVFNGSA-N -1 3 362.433 3.013 20 0 FGADHM CC[C@H](NCc1cc(C(=O)[O-])cc(C(=O)OC)c1)c1ccc(OC)cc1 ZINC000833644160 605062881 /nfs/dbraw/zinc/06/28/81/605062881.db2.gz LRSHRKABHQLDKT-SFHVURJKSA-N -1 3 357.406 3.421 20 0 FGADHM CC[C@@H](C)OCC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825074081 607733594 /nfs/dbraw/zinc/73/35/94/607733594.db2.gz FIWJZJDXKGZHTN-CYBMUJFWSA-N -1 3 367.409 3.413 20 0 FGADHM CC[C@@H](C)OCC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825074081 607733595 /nfs/dbraw/zinc/73/35/95/607733595.db2.gz FIWJZJDXKGZHTN-CYBMUJFWSA-N -1 3 367.409 3.413 20 0 FGADHM O[C@H](c1ccccc1)C1(CNc2cc(Cl)ccc2-c2nnn[n-]2)CC1 ZINC000826505443 607735338 /nfs/dbraw/zinc/73/53/38/607735338.db2.gz VUFROUHNSKUUEO-MRXNPFEDSA-N -1 3 355.829 3.446 20 0 FGADHM O[C@H](c1ccccc1)C1(CNc2cc(Cl)ccc2-c2nn[n-]n2)CC1 ZINC000826505443 607735339 /nfs/dbraw/zinc/73/53/39/607735339.db2.gz VUFROUHNSKUUEO-MRXNPFEDSA-N -1 3 355.829 3.446 20 0 FGADHM CC(C)(COc1ccc(C(F)(F)F)cn1)NCc1ccc(C(=O)[O-])o1 ZINC000833461718 605119607 /nfs/dbraw/zinc/11/96/07/605119607.db2.gz ICBRNPKXQFHZGD-UHFFFAOYSA-N -1 3 358.316 3.339 20 0 FGADHM CN(C(=O)CN[C@H](CC1CC1)c1ccccc1)c1ccccc1C(=O)[O-] ZINC000833685473 605138271 /nfs/dbraw/zinc/13/82/71/605138271.db2.gz IYWKFLXWIGVXGU-GOSISDBHSA-N -1 3 352.434 3.479 20 0 FGADHM CC(C)(C(=O)[O-])[C@@H](NCC(=O)N1CCc2sccc2C1)c1ccccc1 ZINC000833411882 605175198 /nfs/dbraw/zinc/17/51/98/605175198.db2.gz FDKQAZBKDLVUMB-SFHVURJKSA-N -1 3 372.490 3.075 20 0 FGADHM Cc1c(CSC(C)C)cccc1NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826236477 607742974 /nfs/dbraw/zinc/74/29/74/607742974.db2.gz NXCYAGCZMQFSNQ-UHFFFAOYSA-N -1 3 356.455 3.397 20 0 FGADHM Cc1c(CSC(C)C)cccc1NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826236477 607742975 /nfs/dbraw/zinc/74/29/75/607742975.db2.gz NXCYAGCZMQFSNQ-UHFFFAOYSA-N -1 3 356.455 3.397 20 0 FGADHM C[C@@H]1CN(Cc2ccc(OC(F)F)c(Br)c2)C[C@H]1C(=O)[O-] ZINC000833630881 605247287 /nfs/dbraw/zinc/24/72/87/605247287.db2.gz YIOBFCLRGGTTHE-PSASIEDQSA-N -1 3 364.186 3.203 20 0 FGADHM O=C(c1ccc(-c2nnn[n-]2)[nH]1)N1CCCCC[C@H]1/C=C\c1ccccc1 ZINC000826471886 607750000 /nfs/dbraw/zinc/75/00/00/607750000.db2.gz PSKSSASLCBSYET-SNGWPZLWSA-N -1 3 362.437 3.293 20 0 FGADHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1CCCCC[C@H]1/C=C\c1ccccc1 ZINC000826471886 607750001 /nfs/dbraw/zinc/75/00/01/607750001.db2.gz PSKSSASLCBSYET-SNGWPZLWSA-N -1 3 362.437 3.293 20 0 FGADHM C[C@@H]1CN(C(C)(C)CN[C@H](C(=O)[O-])c2c(F)cccc2Cl)C[C@@H](C)O1 ZINC000833620088 605355690 /nfs/dbraw/zinc/35/56/90/605355690.db2.gz CJAWSDFVXZVSKZ-HSMVNMDESA-N -1 3 372.868 3.082 20 0 FGADHM CCCC1(C(=O)Nc2ccc(NC(=O)OCC)c(-c3nnn[n-]3)c2)CCC1 ZINC000825248235 607760593 /nfs/dbraw/zinc/76/05/93/607760593.db2.gz QPULYTYNFQCMDH-UHFFFAOYSA-N -1 3 372.429 3.344 20 0 FGADHM CCCC1(C(=O)Nc2ccc(NC(=O)OCC)c(-c3nn[n-]n3)c2)CCC1 ZINC000825248235 607760594 /nfs/dbraw/zinc/76/05/94/607760594.db2.gz QPULYTYNFQCMDH-UHFFFAOYSA-N -1 3 372.429 3.344 20 0 FGADHM CC(C)(COc1ncccc1C(F)(F)F)NCc1occc1C(=O)[O-] ZINC000833462063 605556918 /nfs/dbraw/zinc/55/69/18/605556918.db2.gz UMWSGVPLCFUBQG-UHFFFAOYSA-N -1 3 358.316 3.339 20 0 FGADHM C[C@H](NC(=O)[O-])[C@H]1CCCN(C[C@H]2CC(c3ccc(Cl)cc3)=NO2)C1 ZINC000833815872 605651095 /nfs/dbraw/zinc/65/10/95/605651095.db2.gz XNIFUFDJIWCWHH-DUVNUKRYSA-N -1 3 365.861 3.201 20 0 FGADHM CCc1ccc(NC(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1F ZINC000825711721 607768871 /nfs/dbraw/zinc/76/88/71/607768871.db2.gz FPFFODZPRUVZAO-NSHDSACASA-N -1 3 354.389 3.451 20 0 FGADHM CCc1ccc(NC(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000825711721 607768872 /nfs/dbraw/zinc/76/88/72/607768872.db2.gz FPFFODZPRUVZAO-NSHDSACASA-N -1 3 354.389 3.451 20 0 FGADHM O=C([O-])N[C@H]1C[C@H](NCc2ccccc2Cn2cccn2)c2ccccc21 ZINC000834159670 605790015 /nfs/dbraw/zinc/79/00/15/605790015.db2.gz VYDGJGCYLSDAHD-PMACEKPBSA-N -1 3 362.433 3.475 20 0 FGADHM O=C([O-])N[C@@H]1C[C@@H](NCc2ccccc2Cn2ccnc2)c2ccccc21 ZINC000834159786 605790241 /nfs/dbraw/zinc/79/02/41/605790241.db2.gz XJSOYZCVXAJPON-WOJBJXKFSA-N -1 3 362.433 3.475 20 0 FGADHM O=C([O-])N[C@@H]1C[C@H](NCc2ccccc2N2CCOCC2)c2ccccc21 ZINC000834158526 605794415 /nfs/dbraw/zinc/79/44/15/605794415.db2.gz OAGWBJCNYSSWKJ-RBUKOAKNSA-N -1 3 367.449 3.067 20 0 FGADHM CCc1cnc(CCNc2nc3ccccc3cc2-c2nnn[n-]2)s1 ZINC000821497510 606095718 /nfs/dbraw/zinc/09/57/18/606095718.db2.gz UVMFKXIDVBYRNG-UHFFFAOYSA-N -1 3 351.439 3.088 20 0 FGADHM CCc1cnc(CCNc2nc3ccccc3cc2-c2nn[n-]n2)s1 ZINC000821497510 606095722 /nfs/dbraw/zinc/09/57/22/606095722.db2.gz UVMFKXIDVBYRNG-UHFFFAOYSA-N -1 3 351.439 3.088 20 0 FGADHM C[C@@H](NC(=O)c1scnc1C(C)(C)C)c1cccc(-c2nnn[n-]2)c1 ZINC000820404314 606123252 /nfs/dbraw/zinc/12/32/52/606123252.db2.gz RXRPXHQMZNJWCJ-SNVBAGLBSA-N -1 3 356.455 3.112 20 0 FGADHM C[C@@H](NC(=O)c1scnc1C(C)(C)C)c1cccc(-c2nn[n-]n2)c1 ZINC000820404314 606123254 /nfs/dbraw/zinc/12/32/54/606123254.db2.gz RXRPXHQMZNJWCJ-SNVBAGLBSA-N -1 3 356.455 3.112 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)OCc1c(Cl)cccc1Cl ZINC000823111122 606142932 /nfs/dbraw/zinc/14/29/32/606142932.db2.gz AFOISZVSXHDUFH-UHFFFAOYSA-N -1 3 363.204 3.459 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)OCc1c(Cl)cccc1Cl ZINC000823111122 606142934 /nfs/dbraw/zinc/14/29/34/606142934.db2.gz AFOISZVSXHDUFH-UHFFFAOYSA-N -1 3 363.204 3.459 20 0 FGADHM COc1ccc([C@@H](C)CC(=O)OCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821777421 606150434 /nfs/dbraw/zinc/15/04/34/606150434.db2.gz FCHPXBLVPHVVPR-ZDUSSCGKSA-N -1 3 352.394 3.112 20 0 FGADHM COc1ccc([C@@H](C)CC(=O)OCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821777421 606150435 /nfs/dbraw/zinc/15/04/35/606150435.db2.gz FCHPXBLVPHVVPR-ZDUSSCGKSA-N -1 3 352.394 3.112 20 0 FGADHM CN(Cc1ncc(-c2cccc(F)c2)o1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821613524 606158211 /nfs/dbraw/zinc/15/82/11/606158211.db2.gz QYVLONWYKXHJPF-UHFFFAOYSA-N -1 3 364.384 3.293 20 0 FGADHM O=C(OC1CCC1)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000823391874 606170475 /nfs/dbraw/zinc/17/04/75/606170475.db2.gz HTPJJZFNBTUMAL-UHFFFAOYSA-N -1 3 350.378 3.155 20 0 FGADHM O=C(OC1CCC1)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000823391874 606170477 /nfs/dbraw/zinc/17/04/77/606170477.db2.gz HTPJJZFNBTUMAL-UHFFFAOYSA-N -1 3 350.378 3.155 20 0 FGADHM c1cc(-c2nnn[n-]2)cc(-c2nnc(COc3cccc4c3CCCC4)o2)c1 ZINC000823737901 606179156 /nfs/dbraw/zinc/17/91/56/606179156.db2.gz KXAPPXHJGJFQPU-UHFFFAOYSA-N -1 3 374.404 3.375 20 0 FGADHM c1cc(-c2nn[n-]n2)cc(-c2nnc(COc3cccc4c3CCCC4)o2)c1 ZINC000823737901 606179157 /nfs/dbraw/zinc/17/91/57/606179157.db2.gz KXAPPXHJGJFQPU-UHFFFAOYSA-N -1 3 374.404 3.375 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)CCCc1ccc(C)s1 ZINC000821757081 606185035 /nfs/dbraw/zinc/18/50/35/606185035.db2.gz UXBGCLUTIFYVCO-UHFFFAOYSA-N -1 3 357.439 3.207 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)CCCc1ccc(C)s1 ZINC000821757081 606185036 /nfs/dbraw/zinc/18/50/36/606185036.db2.gz UXBGCLUTIFYVCO-UHFFFAOYSA-N -1 3 357.439 3.207 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000823303836 606186708 /nfs/dbraw/zinc/18/67/08/606186708.db2.gz WVGUYIINTRGXKO-IWIIMEHWSA-N -1 3 351.332 3.260 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000823303836 606186710 /nfs/dbraw/zinc/18/67/10/606186710.db2.gz WVGUYIINTRGXKO-IWIIMEHWSA-N -1 3 351.332 3.260 20 0 FGADHM O=C(OCc1ccccc1-c1nnn[n-]1)c1cccc(C(F)(F)F)c1F ZINC000823431764 606194680 /nfs/dbraw/zinc/19/46/80/606194680.db2.gz VXCDOUPYDBNYHL-UHFFFAOYSA-N -1 3 366.274 3.382 20 0 FGADHM O=C(OCc1ccccc1-c1nn[n-]n1)c1cccc(C(F)(F)F)c1F ZINC000823431764 606194683 /nfs/dbraw/zinc/19/46/83/606194683.db2.gz VXCDOUPYDBNYHL-UHFFFAOYSA-N -1 3 366.274 3.382 20 0 FGADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1ccccc1Oc1ccccc1 ZINC000822655400 606209773 /nfs/dbraw/zinc/20/97/73/606209773.db2.gz HNADCXLUNGBLKX-UHFFFAOYSA-N -1 3 360.377 3.250 20 0 FGADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1ccccc1Oc1ccccc1 ZINC000822655400 606209774 /nfs/dbraw/zinc/20/97/74/606209774.db2.gz HNADCXLUNGBLKX-UHFFFAOYSA-N -1 3 360.377 3.250 20 0 FGADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000822645754 606215416 /nfs/dbraw/zinc/21/54/16/606215416.db2.gz NKYOFKBMAYUKAB-UHFFFAOYSA-N -1 3 371.615 3.418 20 0 FGADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000822645754 606215417 /nfs/dbraw/zinc/21/54/17/606215417.db2.gz NKYOFKBMAYUKAB-UHFFFAOYSA-N -1 3 371.615 3.418 20 0 FGADHM Clc1cccc(-c2noc(NCc3ccc(-c4nnn[n-]4)cc3)n2)c1 ZINC000822585485 606223541 /nfs/dbraw/zinc/22/35/41/606223541.db2.gz AMAJQEVUCMNBMK-UHFFFAOYSA-N -1 3 353.773 3.182 20 0 FGADHM Clc1cccc(-c2noc(NCc3ccc(-c4nn[n-]n4)cc3)n2)c1 ZINC000822585485 606223543 /nfs/dbraw/zinc/22/35/43/606223543.db2.gz AMAJQEVUCMNBMK-UHFFFAOYSA-N -1 3 353.773 3.182 20 0 FGADHM CC(C)(C)n1ncc2c1CCC[C@@H]2Nc1ccc(-c2nn[n-]n2)cc1F ZINC000819976047 606224178 /nfs/dbraw/zinc/22/41/78/606224178.db2.gz JHHUEARDYOUHSF-AWEZNQCLSA-N -1 3 355.421 3.447 20 0 FGADHM CC(C)(C)n1ncc2c1CCC[C@H]2Nc1cccc(F)c1-c1nnn[n-]1 ZINC000819976218 606224373 /nfs/dbraw/zinc/22/43/73/606224373.db2.gz QUVRXTORKQFRBZ-CYBMUJFWSA-N -1 3 355.421 3.447 20 0 FGADHM CC(C)(C)n1ncc2c1CCC[C@H]2Nc1cccc(F)c1-c1nn[n-]n1 ZINC000819976218 606224375 /nfs/dbraw/zinc/22/43/75/606224375.db2.gz QUVRXTORKQFRBZ-CYBMUJFWSA-N -1 3 355.421 3.447 20 0 FGADHM O=C(Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1)[C@H]1C[C@H]1C1CC1 ZINC000823350257 606230373 /nfs/dbraw/zinc/23/03/73/606230373.db2.gz GHPDDDCWAPIDLC-HOTGVXAUSA-N -1 3 362.393 3.039 20 0 FGADHM COc1ccc(CNc2ncccc2-c2nnn[n-]2)c(OC2CCCC2)c1 ZINC000821825007 606241830 /nfs/dbraw/zinc/24/18/30/606241830.db2.gz SJLOATDZLKOLFS-UHFFFAOYSA-N -1 3 366.425 3.204 20 0 FGADHM COc1ccc(CNc2ncccc2-c2nn[n-]n2)c(OC2CCCC2)c1 ZINC000821825007 606241832 /nfs/dbraw/zinc/24/18/32/606241832.db2.gz SJLOATDZLKOLFS-UHFFFAOYSA-N -1 3 366.425 3.204 20 0 FGADHM COc1ccc(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)cc1Cc1ccccc1 ZINC000821835277 606249860 /nfs/dbraw/zinc/24/98/60/606249860.db2.gz GUCMDMMHLSWJBK-UHFFFAOYSA-N -1 3 374.404 3.047 20 0 FGADHM COc1ccc(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)cc1Cc1ccccc1 ZINC000821835277 606249861 /nfs/dbraw/zinc/24/98/61/606249861.db2.gz GUCMDMMHLSWJBK-UHFFFAOYSA-N -1 3 374.404 3.047 20 0 FGADHM CCN(C(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@H](C)c1cc2ccccc2o1 ZINC000821154802 606262100 /nfs/dbraw/zinc/26/21/00/606262100.db2.gz RVEJYVCBFCCIDO-LLVKDONJSA-N -1 3 350.382 3.164 20 0 FGADHM CCN(C(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@H](C)c1cc2ccccc2o1 ZINC000821154802 606262102 /nfs/dbraw/zinc/26/21/02/606262102.db2.gz RVEJYVCBFCCIDO-LLVKDONJSA-N -1 3 350.382 3.164 20 0 FGADHM Cc1oc(-c2ccccc2)nc1C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000822535637 606264965 /nfs/dbraw/zinc/26/49/65/606264965.db2.gz YZJOHGCCTWSQGS-UHFFFAOYSA-N -1 3 364.340 3.222 20 0 FGADHM Cc1oc(-c2ccccc2)nc1C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000822535637 606264966 /nfs/dbraw/zinc/26/49/66/606264966.db2.gz YZJOHGCCTWSQGS-UHFFFAOYSA-N -1 3 364.340 3.222 20 0 FGADHM O=C(C=Cc1ccc2ccccc2n1)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000822928090 606268618 /nfs/dbraw/zinc/26/86/18/606268618.db2.gz DINOYOWAMRIJEF-CSKARUKUSA-N -1 3 360.352 3.206 20 0 FGADHM O=C(C=Cc1ccc2ccccc2n1)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000822928090 606268620 /nfs/dbraw/zinc/26/86/20/606268620.db2.gz DINOYOWAMRIJEF-CSKARUKUSA-N -1 3 360.352 3.206 20 0 FGADHM O=C(Nc1c(-c2ccco2)nc2ccccn21)c1ccc(-c2nnn[n-]2)cc1 ZINC000823289959 606274578 /nfs/dbraw/zinc/27/45/78/606274578.db2.gz QSMYDJAPITUDNL-UHFFFAOYSA-N -1 3 371.360 3.027 20 0 FGADHM O=C(Nc1c(-c2ccco2)nc2ccccn21)c1ccc(-c2nn[n-]n2)cc1 ZINC000823289959 606274580 /nfs/dbraw/zinc/27/45/80/606274580.db2.gz QSMYDJAPITUDNL-UHFFFAOYSA-N -1 3 371.360 3.027 20 0 FGADHM O=C(c1sccc1-c1nnn[n-]1)N1CC2(CCCC2)c2ccccc21 ZINC000823498237 606276698 /nfs/dbraw/zinc/27/66/98/606276698.db2.gz IDWWMSXGLAPSEA-UHFFFAOYSA-N -1 3 351.435 3.400 20 0 FGADHM O=C(c1sccc1-c1nn[n-]n1)N1CC2(CCCC2)c2ccccc21 ZINC000823498237 606276699 /nfs/dbraw/zinc/27/66/99/606276699.db2.gz IDWWMSXGLAPSEA-UHFFFAOYSA-N -1 3 351.435 3.400 20 0 FGADHM C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000820642266 606279344 /nfs/dbraw/zinc/27/93/44/606279344.db2.gz HHLXBYGGNUEEFL-KXBFYZLASA-N -1 3 361.449 3.204 20 0 FGADHM C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000820642266 606279346 /nfs/dbraw/zinc/27/93/46/606279346.db2.gz HHLXBYGGNUEEFL-KXBFYZLASA-N -1 3 361.449 3.204 20 0 FGADHM CCc1ccc(C(C)(C)NC(=O)CCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821475897 606280011 /nfs/dbraw/zinc/28/00/11/606280011.db2.gz CBMGOPRQUKZGPS-UHFFFAOYSA-N -1 3 363.465 3.413 20 0 FGADHM CCc1ccc(C(C)(C)NC(=O)CCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821475897 606280013 /nfs/dbraw/zinc/28/00/13/606280013.db2.gz CBMGOPRQUKZGPS-UHFFFAOYSA-N -1 3 363.465 3.413 20 0 FGADHM COc1ccccc1-c1cccc(NC(=O)c2cc(-c3nnn[n-]3)cn2C)c1 ZINC000821877276 606289161 /nfs/dbraw/zinc/28/91/61/606289161.db2.gz GDIGVEFNQGCTHS-UHFFFAOYSA-N -1 3 374.404 3.133 20 0 FGADHM COc1ccccc1-c1cccc(NC(=O)c2cc(-c3nn[n-]n3)cn2C)c1 ZINC000821877276 606289163 /nfs/dbraw/zinc/28/91/63/606289163.db2.gz GDIGVEFNQGCTHS-UHFFFAOYSA-N -1 3 374.404 3.133 20 0 FGADHM COC(=O)[C@H](N[C@@H](C)c1cccc(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000821640792 606298483 /nfs/dbraw/zinc/29/84/83/606298483.db2.gz OUYHFCSYTYOFGI-MEDUHNTESA-N -1 3 371.828 3.085 20 0 FGADHM COC(=O)[C@H](N[C@@H](C)c1cccc(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000821640792 606298484 /nfs/dbraw/zinc/29/84/84/606298484.db2.gz OUYHFCSYTYOFGI-MEDUHNTESA-N -1 3 371.828 3.085 20 0 FGADHM COC(=O)[C@@H](N[C@H](C)c1ccc(C)cc1C)c1cccc(-c2nnn[n-]2)c1 ZINC000821640283 606301238 /nfs/dbraw/zinc/30/12/38/606301238.db2.gz FHUHMSNWZJNVDE-KDOFPFPSSA-N -1 3 365.437 3.048 20 0 FGADHM COC(=O)[C@@H](N[C@H](C)c1ccc(C)cc1C)c1cccc(-c2nn[n-]n2)c1 ZINC000821640283 606301239 /nfs/dbraw/zinc/30/12/39/606301239.db2.gz FHUHMSNWZJNVDE-KDOFPFPSSA-N -1 3 365.437 3.048 20 0 FGADHM Cc1ccccc1CS[C@@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O ZINC000822361688 606310572 /nfs/dbraw/zinc/31/05/72/606310572.db2.gz GFLLORGQWLGHMQ-CQSZACIVSA-N -1 3 371.491 3.275 20 0 FGADHM Cc1ccccc1CS[C@@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O ZINC000822361688 606310574 /nfs/dbraw/zinc/31/05/74/606310574.db2.gz GFLLORGQWLGHMQ-CQSZACIVSA-N -1 3 371.491 3.275 20 0 FGADHM O=C(Nc1cc(F)ccc1Oc1ccccc1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823299073 606320658 /nfs/dbraw/zinc/32/06/58/606320658.db2.gz GEJXLAPSEYYVME-UHFFFAOYSA-N -1 3 364.340 3.379 20 0 FGADHM O=C(Nc1cc(F)ccc1Oc1ccccc1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823299073 606320659 /nfs/dbraw/zinc/32/06/59/606320659.db2.gz GEJXLAPSEYYVME-UHFFFAOYSA-N -1 3 364.340 3.379 20 0 FGADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000823466722 606321307 /nfs/dbraw/zinc/32/13/07/606321307.db2.gz ORHHEQYSOOVNGZ-QGZVFWFLSA-N -1 3 361.409 3.044 20 0 FGADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000823466722 606321308 /nfs/dbraw/zinc/32/13/08/606321308.db2.gz ORHHEQYSOOVNGZ-QGZVFWFLSA-N -1 3 361.409 3.044 20 0 FGADHM CCN(Cc1ccccc1)C(=O)[C@H](C)Sc1cccc(-c2nnn[n-]2)c1 ZINC000821222185 606325443 /nfs/dbraw/zinc/32/54/43/606325443.db2.gz PWTPKZBZNSGGBU-AWEZNQCLSA-N -1 3 367.478 3.396 20 0 FGADHM CCN(Cc1ccccc1)C(=O)[C@H](C)Sc1cccc(-c2nn[n-]n2)c1 ZINC000821222185 606325445 /nfs/dbraw/zinc/32/54/45/606325445.db2.gz PWTPKZBZNSGGBU-AWEZNQCLSA-N -1 3 367.478 3.396 20 0 FGADHM c1ccc(Cc2noc(CSc3cccc(-c4nnn[n-]4)c3)n2)cc1 ZINC000823787432 606328437 /nfs/dbraw/zinc/32/84/37/606328437.db2.gz MTPYIVWYUOCLQS-UHFFFAOYSA-N -1 3 350.407 3.133 20 0 FGADHM c1ccc(Cc2noc(CSc3cccc(-c4nn[n-]n4)c3)n2)cc1 ZINC000823787432 606328439 /nfs/dbraw/zinc/32/84/39/606328439.db2.gz MTPYIVWYUOCLQS-UHFFFAOYSA-N -1 3 350.407 3.133 20 0 FGADHM CCc1ccccc1OCC(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821496622 606344760 /nfs/dbraw/zinc/34/47/60/606344760.db2.gz JCSYLMMTGBEABL-CYBMUJFWSA-N -1 3 352.394 3.112 20 0 FGADHM CCc1ccccc1OCC(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821496622 606344762 /nfs/dbraw/zinc/34/47/62/606344762.db2.gz JCSYLMMTGBEABL-CYBMUJFWSA-N -1 3 352.394 3.112 20 0 FGADHM C[C@H](OC(=O)c1c(F)c(F)cc(F)c1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000820500406 606346099 /nfs/dbraw/zinc/34/60/99/606346099.db2.gz FLIMDLINDXZSMC-ZETCQYMHSA-N -1 3 366.274 3.341 20 0 FGADHM C[C@H](OC(=O)c1c(F)c(F)cc(F)c1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000820500406 606346100 /nfs/dbraw/zinc/34/61/00/606346100.db2.gz FLIMDLINDXZSMC-ZETCQYMHSA-N -1 3 366.274 3.341 20 0 FGADHM CCO[C@H](C)c1ncc(C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000821346607 606348096 /nfs/dbraw/zinc/34/80/96/606348096.db2.gz MVPCVGPORQBPNW-GHMZBOCLSA-N -1 3 373.438 3.339 20 0 FGADHM CCO[C@H](C)c1ncc(C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000821346607 606348098 /nfs/dbraw/zinc/34/80/98/606348098.db2.gz MVPCVGPORQBPNW-GHMZBOCLSA-N -1 3 373.438 3.339 20 0 FGADHM C[C@@H](OC(=O)c1cnc(-c2ccccc2)nc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820518630 606348224 /nfs/dbraw/zinc/34/82/24/606348224.db2.gz HZAKTUXOPWBRQK-CYBMUJFWSA-N -1 3 372.388 3.242 20 0 FGADHM C[C@@H](OC(=O)c1cnc(-c2ccccc2)nc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820518630 606348226 /nfs/dbraw/zinc/34/82/26/606348226.db2.gz HZAKTUXOPWBRQK-CYBMUJFWSA-N -1 3 372.388 3.242 20 0 FGADHM CCSc1cc(C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)ccn1 ZINC000821460811 606348280 /nfs/dbraw/zinc/34/82/80/606348280.db2.gz DWEOEWXCWSELCJ-NSHDSACASA-N -1 3 355.423 3.292 20 0 FGADHM CCSc1cc(C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)ccn1 ZINC000821460811 606348281 /nfs/dbraw/zinc/34/82/81/606348281.db2.gz DWEOEWXCWSELCJ-NSHDSACASA-N -1 3 355.423 3.292 20 0 FGADHM CCOc1ccc(CC(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821418107 606351827 /nfs/dbraw/zinc/35/18/27/606351827.db2.gz WDXMEKKOKFFNEA-ZDUSSCGKSA-N -1 3 352.394 3.112 20 0 FGADHM CCOc1ccc(CC(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821418107 606351829 /nfs/dbraw/zinc/35/18/29/606351829.db2.gz WDXMEKKOKFFNEA-ZDUSSCGKSA-N -1 3 352.394 3.112 20 0 FGADHM CC(C)Oc1cccc(CNC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000820178112 606352022 /nfs/dbraw/zinc/35/20/22/606352022.db2.gz HVERFHAZFPZNAQ-UHFFFAOYSA-N -1 3 370.388 3.115 20 0 FGADHM CC(C)Oc1cccc(CNC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000820178112 606352023 /nfs/dbraw/zinc/35/20/23/606352023.db2.gz HVERFHAZFPZNAQ-UHFFFAOYSA-N -1 3 370.388 3.115 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)N[C@@H]1CCc2c1cccc2Cl ZINC000823343744 606355083 /nfs/dbraw/zinc/35/50/83/606355083.db2.gz FTIRFCIDDSDZEJ-CQSZACIVSA-N -1 3 372.791 3.468 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)N[C@@H]1CCc2c1cccc2Cl ZINC000823343744 606355086 /nfs/dbraw/zinc/35/50/86/606355086.db2.gz FTIRFCIDDSDZEJ-CQSZACIVSA-N -1 3 372.791 3.468 20 0 FGADHM COc1ccccc1C(C)(C)NC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000821883005 606357648 /nfs/dbraw/zinc/35/76/48/606357648.db2.gz PVJBLPKVNUFOIN-UHFFFAOYSA-N -1 3 370.388 3.071 20 0 FGADHM COc1ccccc1C(C)(C)NC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000821883005 606357650 /nfs/dbraw/zinc/35/76/50/606357650.db2.gz PVJBLPKVNUFOIN-UHFFFAOYSA-N -1 3 370.388 3.071 20 0 FGADHM C[C@H](OC(=O)CCOCc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820495348 606359282 /nfs/dbraw/zinc/35/92/82/606359282.db2.gz HICSAAMWPNRJCS-AWEZNQCLSA-N -1 3 352.394 3.078 20 0 FGADHM C[C@H](OC(=O)CCOCc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820495348 606359284 /nfs/dbraw/zinc/35/92/84/606359284.db2.gz HICSAAMWPNRJCS-AWEZNQCLSA-N -1 3 352.394 3.078 20 0 FGADHM Cc1c(C(=O)OCc2cc(-c3nnn[n-]3)ccc2F)cnc2ccccc12 ZINC000822021114 606373583 /nfs/dbraw/zinc/37/35/83/606373583.db2.gz WLBZDRLCNMXMHS-UHFFFAOYSA-N -1 3 363.352 3.219 20 0 FGADHM Cc1c(C(=O)OCc2cc(-c3nn[n-]n3)ccc2F)cnc2ccccc12 ZINC000822021114 606373585 /nfs/dbraw/zinc/37/35/85/606373585.db2.gz WLBZDRLCNMXMHS-UHFFFAOYSA-N -1 3 363.352 3.219 20 0 FGADHM CC[C@@H](CNc1nnc(C)c(C)c1-c1nnn[n-]1)Oc1ccccc1Cl ZINC000820907820 606402304 /nfs/dbraw/zinc/40/23/04/606402304.db2.gz HLTUCHNUUUMKPB-LBPRGKRZSA-N -1 3 373.848 3.196 20 0 FGADHM CC[C@@H](CNc1nnc(C)c(C)c1-c1nn[n-]n1)Oc1ccccc1Cl ZINC000820907820 606402305 /nfs/dbraw/zinc/40/23/05/606402305.db2.gz HLTUCHNUUUMKPB-LBPRGKRZSA-N -1 3 373.848 3.196 20 0 FGADHM C[C@@H](Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1)C1CCCCC1 ZINC000820457104 606428986 /nfs/dbraw/zinc/42/89/86/606428986.db2.gz XVIWJAMXYCRCSK-CQSZACIVSA-N -1 3 370.501 3.209 20 0 FGADHM C[C@@H](Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1)C1CCCCC1 ZINC000820457104 606428988 /nfs/dbraw/zinc/42/89/88/606428988.db2.gz XVIWJAMXYCRCSK-CQSZACIVSA-N -1 3 370.501 3.209 20 0 FGADHM C[C@@H]1CCCN1C(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000820711477 606436241 /nfs/dbraw/zinc/43/62/41/606436241.db2.gz ZUCMYLSLXZRAPF-CQSZACIVSA-N -1 3 363.421 3.070 20 0 FGADHM C[C@@H]1CCCN1C(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000820711477 606436243 /nfs/dbraw/zinc/43/62/43/606436243.db2.gz ZUCMYLSLXZRAPF-CQSZACIVSA-N -1 3 363.421 3.070 20 0 FGADHM O=C(NCC(F)F)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000823167120 606445326 /nfs/dbraw/zinc/44/53/26/606445326.db2.gz XIGCMGWDVKTVNY-UHFFFAOYSA-N -1 3 361.377 3.013 20 0 FGADHM O=C(NCC(F)F)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000823167120 606445328 /nfs/dbraw/zinc/44/53/28/606445328.db2.gz XIGCMGWDVKTVNY-UHFFFAOYSA-N -1 3 361.377 3.013 20 0 FGADHM Cc1cc(C)n(-c2ccc(NCc3cccc(-c4nnn[n-]4)c3)cc2F)n1 ZINC000822197698 606448879 /nfs/dbraw/zinc/44/88/79/606448879.db2.gz LQEGPYPAUJRXQK-UHFFFAOYSA-N -1 3 363.400 3.420 20 0 FGADHM Cc1cc(C)n(-c2ccc(NCc3cccc(-c4nn[n-]n4)c3)cc2F)n1 ZINC000822197698 606448881 /nfs/dbraw/zinc/44/88/81/606448881.db2.gz LQEGPYPAUJRXQK-UHFFFAOYSA-N -1 3 363.400 3.420 20 0 FGADHM CC(C)OCCNc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000820146365 606456937 /nfs/dbraw/zinc/45/69/37/606456937.db2.gz MBFMUWVSHWOIMT-UHFFFAOYSA-N -1 3 371.416 3.422 20 0 FGADHM CC(C)OCCNc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000820146365 606456938 /nfs/dbraw/zinc/45/69/38/606456938.db2.gz MBFMUWVSHWOIMT-UHFFFAOYSA-N -1 3 371.416 3.422 20 0 FGADHM CC(C)OC(=O)NCc1ccc(NCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000820142514 606460057 /nfs/dbraw/zinc/46/00/57/606460057.db2.gz OJPRTZOZHZOOMJ-UHFFFAOYSA-N -1 3 366.425 3.113 20 0 FGADHM CC(C)OC(=O)NCc1ccc(NCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000820142514 606460058 /nfs/dbraw/zinc/46/00/58/606460058.db2.gz OJPRTZOZHZOOMJ-UHFFFAOYSA-N -1 3 366.425 3.113 20 0 FGADHM O=C(OCc1ccccc1C(F)(F)F)c1cc(-c2nnn[n-]2)cs1 ZINC000823429811 606463937 /nfs/dbraw/zinc/46/39/37/606463937.db2.gz CKKPIMXEVVUQHD-UHFFFAOYSA-N -1 3 354.313 3.304 20 0 FGADHM O=C(OCc1ccccc1C(F)(F)F)c1cc(-c2nn[n-]n2)cs1 ZINC000823429811 606463939 /nfs/dbraw/zinc/46/39/39/606463939.db2.gz CKKPIMXEVVUQHD-UHFFFAOYSA-N -1 3 354.313 3.304 20 0 FGADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)O[C@H](C1CCCC1)C(F)(F)F ZINC000823077937 606470697 /nfs/dbraw/zinc/47/06/97/606470697.db2.gz CUELBPKSVJNHEU-CQSZACIVSA-N -1 3 354.332 3.074 20 0 FGADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)O[C@H](C1CCCC1)C(F)(F)F ZINC000823077937 606470698 /nfs/dbraw/zinc/47/06/98/606470698.db2.gz CUELBPKSVJNHEU-CQSZACIVSA-N -1 3 354.332 3.074 20 0 FGADHM Cc1cc(C)c(-c2nnn[n-]2)c(NC[C@H]2SCCc3ccccc32)n1 ZINC000822193496 606477994 /nfs/dbraw/zinc/47/79/94/606477994.db2.gz ZNMPBUNMJLSGCH-OAHLLOKOSA-N -1 3 352.467 3.321 20 0 FGADHM Cc1cc(C)c(-c2nn[n-]n2)c(NC[C@H]2SCCc3ccccc32)n1 ZINC000822193496 606477996 /nfs/dbraw/zinc/47/79/96/606477996.db2.gz ZNMPBUNMJLSGCH-OAHLLOKOSA-N -1 3 352.467 3.321 20 0 FGADHM O=C(Nc1ncc(Cc2ccccc2)s1)c1cc(-c2nnn[n-]2)cs1 ZINC000823383778 606482265 /nfs/dbraw/zinc/48/22/65/606482265.db2.gz ZKDXHZPFUNKVQG-UHFFFAOYSA-N -1 3 368.447 3.228 20 0 FGADHM O=C(Nc1ncc(Cc2ccccc2)s1)c1cc(-c2nn[n-]n2)cs1 ZINC000823383778 606482268 /nfs/dbraw/zinc/48/22/68/606482268.db2.gz ZKDXHZPFUNKVQG-UHFFFAOYSA-N -1 3 368.447 3.228 20 0 FGADHM COc1ccc([C@@H](NC(=O)c2cc(-c3nnn[n-]3)cs2)C(C)C)cc1 ZINC000821778099 606485202 /nfs/dbraw/zinc/48/52/02/606485202.db2.gz UCJZYZXCKYEVDI-HNNXBMFYSA-N -1 3 357.439 3.064 20 0 FGADHM COc1ccc([C@@H](NC(=O)c2cc(-c3nn[n-]n3)cs2)C(C)C)cc1 ZINC000821778099 606485204 /nfs/dbraw/zinc/48/52/04/606485204.db2.gz UCJZYZXCKYEVDI-HNNXBMFYSA-N -1 3 357.439 3.064 20 0 FGADHM CC(C)Oc1ccccc1[C@@H](C)NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820178584 606493456 /nfs/dbraw/zinc/49/34/56/606493456.db2.gz VAIBSLRNZJVGDM-LLVKDONJSA-N -1 3 357.439 3.206 20 0 FGADHM CC(C)Oc1ccccc1[C@@H](C)NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820178584 606493458 /nfs/dbraw/zinc/49/34/58/606493458.db2.gz VAIBSLRNZJVGDM-LLVKDONJSA-N -1 3 357.439 3.206 20 0 FGADHM CCc1ccc([C@@H](NC(=O)Cc2cccc(-c3nnn[n-]3)c2)C(C)C)cc1 ZINC000821481028 606496737 /nfs/dbraw/zinc/49/67/37/606496737.db2.gz HLMYNQXSHWUZKC-FQEVSTJZSA-N -1 3 363.465 3.485 20 0 FGADHM CCc1ccc([C@@H](NC(=O)Cc2cccc(-c3nn[n-]n3)c2)C(C)C)cc1 ZINC000821481028 606496739 /nfs/dbraw/zinc/49/67/39/606496739.db2.gz HLMYNQXSHWUZKC-FQEVSTJZSA-N -1 3 363.465 3.485 20 0 FGADHM FC(F)Oc1cc(-c2nnn[n-]2)ccc1CN1CC[C@H]1c1ccccc1 ZINC000822731940 606499533 /nfs/dbraw/zinc/49/95/33/606499533.db2.gz FOTUMGHTWSUHQH-HNNXBMFYSA-N -1 3 357.364 3.415 20 0 FGADHM FC(F)Oc1cc(-c2nn[n-]n2)ccc1CN1CC[C@H]1c1ccccc1 ZINC000822731940 606499535 /nfs/dbraw/zinc/49/95/35/606499535.db2.gz FOTUMGHTWSUHQH-HNNXBMFYSA-N -1 3 357.364 3.415 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1ccc(Cl)c2cccnc12 ZINC000823103296 606502066 /nfs/dbraw/zinc/50/20/66/606502066.db2.gz DJBCNDGSBPFHDU-UHFFFAOYSA-N -1 3 364.796 3.250 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1ccc(Cl)c2cccnc12 ZINC000823103296 606502069 /nfs/dbraw/zinc/50/20/69/606502069.db2.gz DJBCNDGSBPFHDU-UHFFFAOYSA-N -1 3 364.796 3.250 20 0 FGADHM Cc1cc(C)c(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)CC(C)C)o1 ZINC000822192811 606506122 /nfs/dbraw/zinc/50/61/22/606506122.db2.gz BUYJMIHZNNFKRM-UHFFFAOYSA-N -1 3 353.426 3.375 20 0 FGADHM Cc1cc(C)c(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)CC(C)C)o1 ZINC000822192811 606506124 /nfs/dbraw/zinc/50/61/24/606506124.db2.gz BUYJMIHZNNFKRM-UHFFFAOYSA-N -1 3 353.426 3.375 20 0 FGADHM CCCCN(C)c1ccc(NC(=O)c2cc(-c3nnn[n-]3)cs2)cc1 ZINC000821062579 606508670 /nfs/dbraw/zinc/50/86/70/606508670.db2.gz YMFDIBKCYVMZAM-UHFFFAOYSA-N -1 3 356.455 3.417 20 0 FGADHM CCCCN(C)c1ccc(NC(=O)c2cc(-c3nn[n-]n3)cs2)cc1 ZINC000821062579 606508672 /nfs/dbraw/zinc/50/86/72/606508672.db2.gz YMFDIBKCYVMZAM-UHFFFAOYSA-N -1 3 356.455 3.417 20 0 FGADHM C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820669158 606516940 /nfs/dbraw/zinc/51/69/40/606516940.db2.gz ZDWWENATYBPRAR-XUJVJEKNSA-N -1 3 353.451 3.335 20 0 FGADHM C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820669158 606516941 /nfs/dbraw/zinc/51/69/41/606516941.db2.gz ZDWWENATYBPRAR-XUJVJEKNSA-N -1 3 353.451 3.335 20 0 FGADHM CC[C@@H](C)Oc1ccc(NC(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000820875443 606532371 /nfs/dbraw/zinc/53/23/71/606532371.db2.gz AICZBTFTFFAEGY-CYBMUJFWSA-N -1 3 351.410 3.225 20 0 FGADHM CC[C@@H](C)Oc1ccc(NC(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000820875443 606532372 /nfs/dbraw/zinc/53/23/72/606532372.db2.gz AICZBTFTFFAEGY-CYBMUJFWSA-N -1 3 351.410 3.225 20 0 FGADHM C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)c2cc(-c3nnn[n-]3)cs2)C1 ZINC000820665036 606542499 /nfs/dbraw/zinc/54/24/99/606542499.db2.gz DGKXSSRDQUWAGU-YGRLFVJLSA-N -1 3 357.414 3.291 20 0 FGADHM C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)c2cc(-c3nn[n-]n3)cs2)C1 ZINC000820665036 606542501 /nfs/dbraw/zinc/54/25/01/606542501.db2.gz DGKXSSRDQUWAGU-YGRLFVJLSA-N -1 3 357.414 3.291 20 0 FGADHM C[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)cs2)[C@@H]1c1cccc(F)c1 ZINC000820716046 606545964 /nfs/dbraw/zinc/54/59/64/606545964.db2.gz GTCAUPKYZMENSP-BMIGLBTASA-N -1 3 357.414 3.291 20 0 FGADHM C[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)cs2)[C@@H]1c1cccc(F)c1 ZINC000820716046 606545966 /nfs/dbraw/zinc/54/59/66/606545966.db2.gz GTCAUPKYZMENSP-BMIGLBTASA-N -1 3 357.414 3.291 20 0 FGADHM CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820937999 606548634 /nfs/dbraw/zinc/54/86/34/606548634.db2.gz GJWUZUARMCQJDW-MRXNPFEDSA-N -1 3 355.373 3.110 20 0 FGADHM CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820937999 606548635 /nfs/dbraw/zinc/54/86/35/606548635.db2.gz GJWUZUARMCQJDW-MRXNPFEDSA-N -1 3 355.373 3.110 20 0 FGADHM O=C(NC[C@@H]1CCC[C@H](C(F)(F)F)C1)c1cc(-c2nnn[n-]2)cs1 ZINC000823176381 606553466 /nfs/dbraw/zinc/55/34/66/606553466.db2.gz SJYSOTSNTVCGEX-SCZZXKLOSA-N -1 3 359.377 3.027 20 0 FGADHM O=C(NC[C@@H]1CCC[C@H](C(F)(F)F)C1)c1cc(-c2nn[n-]n2)cs1 ZINC000823176381 606553468 /nfs/dbraw/zinc/55/34/68/606553468.db2.gz SJYSOTSNTVCGEX-SCZZXKLOSA-N -1 3 359.377 3.027 20 0 FGADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1OC(F)F)C1CCCCC1 ZINC000823422385 606558146 /nfs/dbraw/zinc/55/81/46/606558146.db2.gz SSXHIAMCDMTABC-UHFFFAOYSA-N -1 3 352.341 3.092 20 0 FGADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1OC(F)F)C1CCCCC1 ZINC000823422385 606558148 /nfs/dbraw/zinc/55/81/48/606558148.db2.gz SSXHIAMCDMTABC-UHFFFAOYSA-N -1 3 352.341 3.092 20 0 FGADHM CC(C)(NC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1cccc(Cl)c1 ZINC000819987806 606567387 /nfs/dbraw/zinc/56/73/87/606567387.db2.gz MNPLABLTFQSUSC-UHFFFAOYSA-N -1 3 355.829 3.114 20 0 FGADHM CC(C)(NC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1cccc(Cl)c1 ZINC000819987806 606567388 /nfs/dbraw/zinc/56/73/88/606567388.db2.gz MNPLABLTFQSUSC-UHFFFAOYSA-N -1 3 355.829 3.114 20 0 FGADHM CN(C)C(=O)Sc1ccc(CNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821578028 606596568 /nfs/dbraw/zinc/59/65/68/606596568.db2.gz KCXGVWMPMCFCND-UHFFFAOYSA-N -1 3 354.439 3.253 20 0 FGADHM CCNc1ccc(-c2nn[n-]n2)cc1NCc1nc(-c2cccs2)no1 ZINC000821308950 606599943 /nfs/dbraw/zinc/59/99/43/606599943.db2.gz IHHMISFMUCKIHV-UHFFFAOYSA-N -1 3 368.426 3.022 20 0 FGADHM O=C(Nc1cnccc1-c1cccc(F)c1)c1sccc1-c1nnn[n-]1 ZINC000823375835 606607117 /nfs/dbraw/zinc/60/71/17/606607117.db2.gz LPTDGEZJXITDMV-UHFFFAOYSA-N -1 3 366.381 3.382 20 0 FGADHM O=C(Nc1cnccc1-c1cccc(F)c1)c1sccc1-c1nn[n-]n1 ZINC000823375835 606607119 /nfs/dbraw/zinc/60/71/19/606607119.db2.gz LPTDGEZJXITDMV-UHFFFAOYSA-N -1 3 366.381 3.382 20 0 FGADHM C/C=C/CS(=O)(=O)Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000820832411 606621327 /nfs/dbraw/zinc/62/13/27/606621327.db2.gz JUBKXNLDTLHYNK-NSCUHMNNSA-N -1 3 354.435 3.025 20 0 FGADHM C/C=C/CS(=O)(=O)Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000820832411 606621329 /nfs/dbraw/zinc/62/13/29/606621329.db2.gz JUBKXNLDTLHYNK-NSCUHMNNSA-N -1 3 354.435 3.025 20 0 FGADHM C[C@@H](Sc1ccc(Cl)cc1-c1nnn[n-]1)C(=O)NCc1ccccc1 ZINC000820548927 606628085 /nfs/dbraw/zinc/62/80/85/606628085.db2.gz IPXABDSSPLSYOK-LLVKDONJSA-N -1 3 373.869 3.317 20 0 FGADHM C[C@@H](Sc1ccc(Cl)cc1-c1nn[n-]n1)C(=O)NCc1ccccc1 ZINC000820548927 606628086 /nfs/dbraw/zinc/62/80/86/606628086.db2.gz IPXABDSSPLSYOK-LLVKDONJSA-N -1 3 373.869 3.317 20 0 FGADHM Fc1ccc(CN2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)c(F)c1 ZINC000822765957 606632486 /nfs/dbraw/zinc/63/24/86/606632486.db2.gz CIEUFYPBLQCOIJ-UHFFFAOYSA-N -1 3 371.391 3.188 20 0 FGADHM Fc1ccc(CN2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)c(F)c1 ZINC000822765957 606632489 /nfs/dbraw/zinc/63/24/89/606632489.db2.gz CIEUFYPBLQCOIJ-UHFFFAOYSA-N -1 3 371.391 3.188 20 0 FGADHM FC(F)(F)c1cc(NC[C@H]2CSCCS2)ccc1-c1nnn[n-]1 ZINC000822723975 606637649 /nfs/dbraw/zinc/63/76/49/606637649.db2.gz VDKCTYBKBRMDKL-VIFPVBQESA-N -1 3 361.418 3.146 20 0 FGADHM FC(F)(F)c1cc(NC[C@H]2CSCCS2)ccc1-c1nn[n-]n1 ZINC000822723975 606637650 /nfs/dbraw/zinc/63/76/50/606637650.db2.gz VDKCTYBKBRMDKL-VIFPVBQESA-N -1 3 361.418 3.146 20 0 FGADHM Cc1cccc(C(C)C)c1NCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000822288783 606638862 /nfs/dbraw/zinc/63/88/62/606638862.db2.gz JKPKAWVHMDWZIS-UHFFFAOYSA-N -1 3 350.426 3.349 20 0 FGADHM Cc1cccc(C(C)C)c1NCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000822288783 606638863 /nfs/dbraw/zinc/63/88/63/606638863.db2.gz JKPKAWVHMDWZIS-UHFFFAOYSA-N -1 3 350.426 3.349 20 0 FGADHM C[C@@H](NC(=O)N([C@H](C)c1ccco1)C1CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820339840 606657002 /nfs/dbraw/zinc/65/70/02/606657002.db2.gz GWUXUSCPMKBCSI-CHWSQXEVSA-N -1 3 366.425 3.456 20 0 FGADHM C[C@@H](NC(=O)N([C@H](C)c1ccco1)C1CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820339840 606657003 /nfs/dbraw/zinc/65/70/03/606657003.db2.gz GWUXUSCPMKBCSI-CHWSQXEVSA-N -1 3 366.425 3.456 20 0 FGADHM COc1ccc(Br)cc1CNc1cccc(-c2nnn[n-]2)c1 ZINC000393446213 606659597 /nfs/dbraw/zinc/65/95/97/606659597.db2.gz HRRVQQHWUBOKOT-UHFFFAOYSA-N -1 3 360.215 3.250 20 0 FGADHM COc1ccc(Br)cc1CNc1cccc(-c2nn[n-]n2)c1 ZINC000393446213 606659598 /nfs/dbraw/zinc/65/95/98/606659598.db2.gz HRRVQQHWUBOKOT-UHFFFAOYSA-N -1 3 360.215 3.250 20 0 FGADHM Cc1ccc(F)c(NCC(=O)Nc2cc(Cl)ccc2-c2nnn[n-]2)c1 ZINC000822240148 606660801 /nfs/dbraw/zinc/66/08/01/606660801.db2.gz UOPKMBYWKUYLAP-UHFFFAOYSA-N -1 3 360.780 3.018 20 0 FGADHM Cc1ccc(F)c(NCC(=O)Nc2cc(Cl)ccc2-c2nn[n-]n2)c1 ZINC000822240148 606660802 /nfs/dbraw/zinc/66/08/02/606660802.db2.gz UOPKMBYWKUYLAP-UHFFFAOYSA-N -1 3 360.780 3.018 20 0 FGADHM O=C(OCc1cc2ccccc2o1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823417725 606668283 /nfs/dbraw/zinc/66/82/83/606668283.db2.gz GTBDEDOTLAAVBD-UHFFFAOYSA-N -1 3 356.288 3.248 20 0 FGADHM O=C(OCc1cc2ccccc2o1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823417725 606668284 /nfs/dbraw/zinc/66/82/84/606668284.db2.gz GTBDEDOTLAAVBD-UHFFFAOYSA-N -1 3 356.288 3.248 20 0 FGADHM O=C(c1c(F)cc(-c2nnn[n-]2)cc1F)N1CCC[C@H]1c1ccc(F)cc1 ZINC000823455157 606669315 /nfs/dbraw/zinc/66/93/15/606669315.db2.gz XLUPVYMUTQZREL-HNNXBMFYSA-N -1 3 373.338 3.261 20 0 FGADHM O=C(c1c(F)cc(-c2nn[n-]n2)cc1F)N1CCC[C@H]1c1ccc(F)cc1 ZINC000823455157 606669316 /nfs/dbraw/zinc/66/93/16/606669316.db2.gz XLUPVYMUTQZREL-HNNXBMFYSA-N -1 3 373.338 3.261 20 0 FGADHM C[C@@H]1CCN(C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)[C@@H]2CCCC[C@H]12 ZINC000820715691 606671731 /nfs/dbraw/zinc/67/17/31/606671731.db2.gz CILXSMPONYGWRY-IXPVHAAZSA-N -1 3 361.396 3.186 20 0 FGADHM C[C@@H]1CCN(C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)[C@@H]2CCCC[C@H]12 ZINC000820715691 606671732 /nfs/dbraw/zinc/67/17/32/606671732.db2.gz CILXSMPONYGWRY-IXPVHAAZSA-N -1 3 361.396 3.186 20 0 FGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)Cc1ccc(F)cc1F ZINC000820151858 606672457 /nfs/dbraw/zinc/67/24/57/606672457.db2.gz PFUQAYXOZNDSON-UHFFFAOYSA-N -1 3 373.363 3.113 20 0 FGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)Cc1ccc(F)cc1F ZINC000820151858 606672458 /nfs/dbraw/zinc/67/24/58/606672458.db2.gz PFUQAYXOZNDSON-UHFFFAOYSA-N -1 3 373.363 3.113 20 0 FGADHM CCOc1cc(C)ccc1NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821395221 606673742 /nfs/dbraw/zinc/67/37/42/606673742.db2.gz SKKJMDKOFVIJOP-UHFFFAOYSA-N -1 3 359.336 3.104 20 0 FGADHM CCOc1cc(C)ccc1NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821395221 606673743 /nfs/dbraw/zinc/67/37/43/606673743.db2.gz SKKJMDKOFVIJOP-UHFFFAOYSA-N -1 3 359.336 3.104 20 0 FGADHM COC[C@H](C)CC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821681782 606674667 /nfs/dbraw/zinc/67/46/67/606674667.db2.gz RVZFANQGYVIQFX-CYBMUJFWSA-N -1 3 367.409 3.270 20 0 FGADHM COC[C@H](C)CC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821681782 606674668 /nfs/dbraw/zinc/67/46/68/606674668.db2.gz RVZFANQGYVIQFX-CYBMUJFWSA-N -1 3 367.409 3.270 20 0 FGADHM CCCC[C@@H](CCC)CNC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821039181 606686686 /nfs/dbraw/zinc/68/66/86/606686686.db2.gz AWKHXPTZYCAPBJ-LLVKDONJSA-N -1 3 351.401 3.481 20 0 FGADHM CCCC[C@@H](CCC)CNC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821039181 606686687 /nfs/dbraw/zinc/68/66/87/606686687.db2.gz AWKHXPTZYCAPBJ-LLVKDONJSA-N -1 3 351.401 3.481 20 0 FGADHM C[C@H]1CN(C(=O)CCc2ccc(-c3nnn[n-]3)cc2)c2ccccc2S1 ZINC000820735428 606692517 /nfs/dbraw/zinc/69/25/17/606692517.db2.gz SCJOEYJXROOCAY-ZDUSSCGKSA-N -1 3 365.462 3.327 20 0 FGADHM C[C@H]1CN(C(=O)CCc2ccc(-c3nn[n-]n3)cc2)c2ccccc2S1 ZINC000820735428 606692518 /nfs/dbraw/zinc/69/25/18/606692518.db2.gz SCJOEYJXROOCAY-ZDUSSCGKSA-N -1 3 365.462 3.327 20 0 FGADHM Cc1ccc([C@@H](C)NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1F ZINC000822229352 606692940 /nfs/dbraw/zinc/69/29/40/606692940.db2.gz SCBAAZWZYGDZIR-SECBINFHSA-N -1 3 361.327 3.083 20 0 FGADHM Cc1ccc([C@@H](C)NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1F ZINC000822229352 606692941 /nfs/dbraw/zinc/69/29/41/606692941.db2.gz SCBAAZWZYGDZIR-SECBINFHSA-N -1 3 361.327 3.083 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H](C)c1ccc(C)c(F)c1 ZINC000821762450 606696373 /nfs/dbraw/zinc/69/63/73/606696373.db2.gz LSLKGJCMLLXNEC-LLVKDONJSA-N -1 3 370.388 3.206 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H](C)c1ccc(C)c(F)c1 ZINC000821762450 606696374 /nfs/dbraw/zinc/69/63/74/606696374.db2.gz LSLKGJCMLLXNEC-LLVKDONJSA-N -1 3 370.388 3.206 20 0 FGADHM O=C(NCCC1CCC1)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000823182306 606697563 /nfs/dbraw/zinc/69/75/63/606697563.db2.gz KUFSSVRUZMSLPG-UHFFFAOYSA-N -1 3 354.336 3.197 20 0 FGADHM O=C(NCCC1CCC1)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823182306 606697564 /nfs/dbraw/zinc/69/75/64/606697564.db2.gz KUFSSVRUZMSLPG-UHFFFAOYSA-N -1 3 354.336 3.197 20 0 FGADHM O=C1[C@H](Sc2ccc(-c3nnn[n-]3)cc2)CCN1c1c(F)cccc1F ZINC000823513664 606704667 /nfs/dbraw/zinc/70/46/67/606704667.db2.gz WGHKPOTXOGCDDT-CQSZACIVSA-N -1 3 373.388 3.043 20 0 FGADHM O=C1[C@H](Sc2ccc(-c3nn[n-]n3)cc2)CCN1c1c(F)cccc1F ZINC000823513664 606704669 /nfs/dbraw/zinc/70/46/69/606704669.db2.gz WGHKPOTXOGCDDT-CQSZACIVSA-N -1 3 373.388 3.043 20 0 FGADHM CCOCCOc1cc(C)ccc1CNc1ccc(-c2nn[n-]n2)cc1F ZINC000821383602 606724555 /nfs/dbraw/zinc/72/45/55/606724555.db2.gz GGUMFNSCWJHSGY-UHFFFAOYSA-N -1 3 371.416 3.342 20 0 FGADHM Cc1ccc(CNc2ccc(-c3nnn[n-]3)nc2)c(OCC(F)(F)F)c1 ZINC000822238372 606726405 /nfs/dbraw/zinc/72/64/05/606726405.db2.gz FFJPVALBDULBLB-UHFFFAOYSA-N -1 3 364.331 3.123 20 0 FGADHM Cc1ccc(CNc2ccc(-c3nn[n-]n3)nc2)c(OCC(F)(F)F)c1 ZINC000822238372 606726406 /nfs/dbraw/zinc/72/64/06/606726406.db2.gz FFJPVALBDULBLB-UHFFFAOYSA-N -1 3 364.331 3.123 20 0 FGADHM CN(Cc1cccn1C)C(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000821615775 606746067 /nfs/dbraw/zinc/74/60/67/606746067.db2.gz MZXHONZIOWQYPX-UHFFFAOYSA-N -1 3 372.432 3.144 20 0 FGADHM CN(Cc1cccn1C)C(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000821615775 606746068 /nfs/dbraw/zinc/74/60/68/606746068.db2.gz MZXHONZIOWQYPX-UHFFFAOYSA-N -1 3 372.432 3.144 20 0 FGADHM C[C@H](OC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1cc(F)ccc1F ZINC000820499938 606747725 /nfs/dbraw/zinc/74/77/25/606747725.db2.gz ATMQRZZEKCUKDI-ZETCQYMHSA-N -1 3 366.274 3.341 20 0 FGADHM C[C@H](OC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1cc(F)ccc1F ZINC000820499938 606747727 /nfs/dbraw/zinc/74/77/27/606747727.db2.gz ATMQRZZEKCUKDI-ZETCQYMHSA-N -1 3 366.274 3.341 20 0 FGADHM Cc1cc(C(F)(F)F)c(-c2nnn[n-]2)c(SC[C@H]2CCCOC2)n1 ZINC000822190817 606768817 /nfs/dbraw/zinc/76/88/17/606768817.db2.gz BKQBEOSJZVFTTN-VIFPVBQESA-N -1 3 359.377 3.108 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)Nc2ccncc2)cc1 ZINC000822144133 606776035 /nfs/dbraw/zinc/77/60/35/606776035.db2.gz KFWGAXOFMHZKQS-UHFFFAOYSA-N -1 3 372.388 3.037 20 0 FGADHM CC(C)(C)c1cnc(SCCC(=O)Nc2ccccc2-c2nnn[n-]2)o1 ZINC000819966142 606786297 /nfs/dbraw/zinc/78/62/97/606786297.db2.gz XPCAJWADSDFXIN-UHFFFAOYSA-N -1 3 372.454 3.273 20 0 FGADHM CC(C)(C)c1cnc(SCCC(=O)Nc2ccccc2-c2nn[n-]n2)o1 ZINC000819966142 606786299 /nfs/dbraw/zinc/78/62/99/606786299.db2.gz XPCAJWADSDFXIN-UHFFFAOYSA-N -1 3 372.454 3.273 20 0 FGADHM CCN(C(=O)CC1CCSCC1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821147519 606799755 /nfs/dbraw/zinc/79/97/55/606799755.db2.gz HYQGQENTTSWJQS-CYBMUJFWSA-N -1 3 359.499 3.310 20 0 FGADHM CCN(C(=O)CC1CCSCC1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821147519 606799757 /nfs/dbraw/zinc/79/97/57/606799757.db2.gz HYQGQENTTSWJQS-CYBMUJFWSA-N -1 3 359.499 3.310 20 0 FGADHM Cc1ccc(C)c([C@H]2CCCN2C(=O)Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822230680 606807763 /nfs/dbraw/zinc/80/77/63/606807763.db2.gz NJQLDAZJRKXWEY-LJQANCHMSA-N -1 3 361.449 3.390 20 0 FGADHM Cc1ccc(C)c([C@H]2CCCN2C(=O)Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822230680 606807764 /nfs/dbraw/zinc/80/77/64/606807764.db2.gz NJQLDAZJRKXWEY-LJQANCHMSA-N -1 3 361.449 3.390 20 0 FGADHM CC(C)CN(C(=O)c1cc(-c2nnn[n-]2)cn1C)c1ccc(Cl)cc1 ZINC000820081664 606811926 /nfs/dbraw/zinc/81/19/26/606811926.db2.gz PXCMRDBVBHXMHR-UHFFFAOYSA-N -1 3 358.833 3.161 20 0 FGADHM CC(C)CN(C(=O)c1cc(-c2nn[n-]n2)cn1C)c1ccc(Cl)cc1 ZINC000820081664 606811927 /nfs/dbraw/zinc/81/19/27/606811927.db2.gz PXCMRDBVBHXMHR-UHFFFAOYSA-N -1 3 358.833 3.161 20 0 FGADHM O=C(Nc1sc(-c2ccccc2)cc1-c1nnn[n-]1)[C@H]1CCSC1 ZINC000823382643 606812098 /nfs/dbraw/zinc/81/20/98/606812098.db2.gz BPNSBDLIPYAZGG-NSHDSACASA-N -1 3 357.464 3.287 20 0 FGADHM O=C(Nc1sc(-c2ccccc2)cc1-c1nn[n-]n1)[C@H]1CCSC1 ZINC000823382643 606812100 /nfs/dbraw/zinc/81/21/00/606812100.db2.gz BPNSBDLIPYAZGG-NSHDSACASA-N -1 3 357.464 3.287 20 0 FGADHM CCCC[C@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F)C1CCC1 ZINC000821044023 606833014 /nfs/dbraw/zinc/83/30/14/606833014.db2.gz XCUUFUOABFNVFC-INIZCTEOSA-N -1 3 360.437 3.164 20 0 FGADHM CCCC[C@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F)C1CCC1 ZINC000821044023 606833015 /nfs/dbraw/zinc/83/30/15/606833015.db2.gz XCUUFUOABFNVFC-INIZCTEOSA-N -1 3 360.437 3.164 20 0 FGADHM O=C1[C@H](Sc2ccc(-c3nnn[n-]3)cc2Cl)CCN1c1ccccc1 ZINC000823511905 606854560 /nfs/dbraw/zinc/85/45/60/606854560.db2.gz ISYDRYVCMNWCMR-OAHLLOKOSA-N -1 3 371.853 3.418 20 0 FGADHM O=C1[C@H](Sc2ccc(-c3nn[n-]n3)cc2Cl)CCN1c1ccccc1 ZINC000823511905 606854562 /nfs/dbraw/zinc/85/45/62/606854562.db2.gz ISYDRYVCMNWCMR-OAHLLOKOSA-N -1 3 371.853 3.418 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)CC(O)(CCC)CCC ZINC000821100235 606857084 /nfs/dbraw/zinc/85/70/84/606857084.db2.gz WORKKKONQZHPJT-UHFFFAOYSA-N -1 3 373.501 3.327 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)CC(O)(CCC)CCC ZINC000821100235 606857086 /nfs/dbraw/zinc/85/70/86/606857086.db2.gz WORKKKONQZHPJT-UHFFFAOYSA-N -1 3 373.501 3.327 20 0 FGADHM CO[C@H](C)c1cccc(NCCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000821674202 606863922 /nfs/dbraw/zinc/86/39/22/606863922.db2.gz WUAXZKYXSLMNNN-CQSZACIVSA-N -1 3 353.426 3.455 20 0 FGADHM CO[C@H](C)c1cccc(NCCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC000821674202 606863925 /nfs/dbraw/zinc/86/39/25/606863925.db2.gz WUAXZKYXSLMNNN-CQSZACIVSA-N -1 3 353.426 3.455 20 0 FGADHM CCS[C@@H]1CC[C@@H](N(C)C(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000821446873 606864082 /nfs/dbraw/zinc/86/40/82/606864082.db2.gz FAAHXMBICLGBFN-DAXOMENPSA-N -1 3 374.514 3.243 20 0 FGADHM CCS[C@@H]1CC[C@@H](N(C)C(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821446873 606864083 /nfs/dbraw/zinc/86/40/83/606864083.db2.gz FAAHXMBICLGBFN-DAXOMENPSA-N -1 3 374.514 3.243 20 0 FGADHM C[C@H]1CC[C@H](C(=O)Nc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)O1 ZINC000820676853 606871450 /nfs/dbraw/zinc/87/14/50/606871450.db2.gz ONDRKKPSKUNMCL-YVEFUNNKSA-N -1 3 365.393 3.165 20 0 FGADHM C[C@H]1CC[C@H](C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)O1 ZINC000820676853 606871451 /nfs/dbraw/zinc/87/14/51/606871451.db2.gz ONDRKKPSKUNMCL-YVEFUNNKSA-N -1 3 365.393 3.165 20 0 FGADHM Cc1nc(CCNc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)sc1C ZINC000822441373 606875463 /nfs/dbraw/zinc/87/54/63/606875463.db2.gz XHZCYOQQOKFIDJ-UHFFFAOYSA-N -1 3 369.376 3.008 20 0 FGADHM Cc1nc(CCNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)sc1C ZINC000822441373 606875464 /nfs/dbraw/zinc/87/54/64/606875464.db2.gz XHZCYOQQOKFIDJ-UHFFFAOYSA-N -1 3 369.376 3.008 20 0 FGADHM Cc1cc(F)c(C(=O)OCCCOc2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000822203252 606899436 /nfs/dbraw/zinc/89/94/36/606899436.db2.gz KXBUTKJLSNPUDX-UHFFFAOYSA-N -1 3 374.347 3.079 20 0 FGADHM CCS[C@H]1CC[C@H](N(C)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000821446473 606905958 /nfs/dbraw/zinc/90/59/58/606905958.db2.gz AUWGKBBAVRJSGS-RYUDHWBXSA-N -1 3 364.450 3.144 20 0 FGADHM CCS[C@H]1CC[C@H](N(C)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000821446473 606905959 /nfs/dbraw/zinc/90/59/59/606905959.db2.gz AUWGKBBAVRJSGS-RYUDHWBXSA-N -1 3 364.450 3.144 20 0 FGADHM Cc1cccc2nc(CNc3ccc(C(F)(F)F)cc3-c3nnn[n-]3)cn21 ZINC000822341311 606912031 /nfs/dbraw/zinc/91/20/31/606912031.db2.gz VSMMYBLKFADBQS-UHFFFAOYSA-N -1 3 373.342 3.454 20 0 FGADHM Cc1cccc2nc(CNc3ccc(C(F)(F)F)cc3-c3nn[n-]n3)cn21 ZINC000822341311 606912033 /nfs/dbraw/zinc/91/20/33/606912033.db2.gz VSMMYBLKFADBQS-UHFFFAOYSA-N -1 3 373.342 3.454 20 0 FGADHM CCc1nnc(N2C[C@@H](c3ccccc3)C[C@H]2C)c(-c2nnn[n-]2)c1CC ZINC000821520883 606935490 /nfs/dbraw/zinc/93/54/90/606935490.db2.gz BLPSOWNCFAGCJS-HIFRSBDPSA-N -1 3 363.469 3.164 20 0 FGADHM CCc1nnc(N2C[C@@H](c3ccccc3)C[C@H]2C)c(-c2nn[n-]n2)c1CC ZINC000821520883 606935491 /nfs/dbraw/zinc/93/54/91/606935491.db2.gz BLPSOWNCFAGCJS-HIFRSBDPSA-N -1 3 363.469 3.164 20 0 FGADHM OC[C@@H](CNc1ccc(C(F)(F)F)cc1-c1nnn[n-]1)c1ccccc1 ZINC000823707194 606942698 /nfs/dbraw/zinc/94/26/98/606942698.db2.gz WZHIRGCGFRDCLC-GFCCVEGCSA-N -1 3 363.343 3.074 20 0 FGADHM OC[C@@H](CNc1ccc(C(F)(F)F)cc1-c1nn[n-]n1)c1ccccc1 ZINC000823707194 606942700 /nfs/dbraw/zinc/94/27/00/606942700.db2.gz WZHIRGCGFRDCLC-GFCCVEGCSA-N -1 3 363.343 3.074 20 0 FGADHM CC[C@H](OC1CCCC1)C(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000820939288 606958517 /nfs/dbraw/zinc/95/85/17/606958517.db2.gz SPMPZQBNUHYDFA-HNNXBMFYSA-N -1 3 363.849 3.221 20 0 FGADHM CC[C@H](OC1CCCC1)C(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000820939288 606958519 /nfs/dbraw/zinc/95/85/19/606958519.db2.gz SPMPZQBNUHYDFA-HNNXBMFYSA-N -1 3 363.849 3.221 20 0 FGADHM CC(=O)c1csc(C(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)c1 ZINC000819844908 606962113 /nfs/dbraw/zinc/96/21/13/606962113.db2.gz NUEWMHFIGDQSHC-UHFFFAOYSA-N -1 3 361.814 3.061 20 0 FGADHM CC(=O)c1csc(C(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)c1 ZINC000819844908 606962115 /nfs/dbraw/zinc/96/21/15/606962115.db2.gz NUEWMHFIGDQSHC-UHFFFAOYSA-N -1 3 361.814 3.061 20 0 FGADHM CN(C(=O)CSCc1ccc(Cl)cc1)c1ccccc1-c1nnn[n-]1 ZINC000821570975 606971067 /nfs/dbraw/zinc/97/10/67/606971067.db2.gz UGKAJPXZPUHAEC-UHFFFAOYSA-N -1 3 373.869 3.416 20 0 FGADHM CN(C(=O)CSCc1ccc(Cl)cc1)c1ccccc1-c1nn[n-]n1 ZINC000821570975 606971069 /nfs/dbraw/zinc/97/10/69/606971069.db2.gz UGKAJPXZPUHAEC-UHFFFAOYSA-N -1 3 373.869 3.416 20 0 FGADHM C[C@H](SCc1ccccc1)C(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC000820549843 606972423 /nfs/dbraw/zinc/97/24/23/606972423.db2.gz SFXSJARATNVCPW-ZDUSSCGKSA-N -1 3 353.451 3.151 20 0 FGADHM C[C@H](SCc1ccccc1)C(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC000820549843 606972425 /nfs/dbraw/zinc/97/24/25/606972425.db2.gz SFXSJARATNVCPW-ZDUSSCGKSA-N -1 3 353.451 3.151 20 0 FGADHM Cc1ccc(-c2cc(C(=O)N(C)c3ccccc3-c3nnn[n-]3)on2)cc1 ZINC000822213183 606972551 /nfs/dbraw/zinc/97/25/51/606972551.db2.gz YBSFBUCEWWHJJI-UHFFFAOYSA-N -1 3 360.377 3.107 20 0 FGADHM Cc1ccc(-c2cc(C(=O)N(C)c3ccccc3-c3nn[n-]n3)on2)cc1 ZINC000822213183 606972552 /nfs/dbraw/zinc/97/25/52/606972552.db2.gz YBSFBUCEWWHJJI-UHFFFAOYSA-N -1 3 360.377 3.107 20 0 FGADHM CN(C(=O)Cc1c(Cl)cccc1Cl)c1ccccc1-c1nnn[n-]1 ZINC000821571067 606972936 /nfs/dbraw/zinc/97/29/36/606972936.db2.gz YLIQWTMGMLKAEJ-UHFFFAOYSA-N -1 3 362.220 3.379 20 0 FGADHM CN(C(=O)Cc1c(Cl)cccc1Cl)c1ccccc1-c1nn[n-]n1 ZINC000821571067 606972937 /nfs/dbraw/zinc/97/29/37/606972937.db2.gz YLIQWTMGMLKAEJ-UHFFFAOYSA-N -1 3 362.220 3.379 20 0 FGADHM CN(C(=O)c1csc(-c2ccccc2)n1)c1ccccc1-c1nnn[n-]1 ZINC000821574553 606975664 /nfs/dbraw/zinc/97/56/64/606975664.db2.gz LMYZSZJTNRPZJR-UHFFFAOYSA-N -1 3 362.418 3.267 20 0 FGADHM CN(C(=O)c1csc(-c2ccccc2)n1)c1ccccc1-c1nn[n-]n1 ZINC000821574553 606975666 /nfs/dbraw/zinc/97/56/66/606975666.db2.gz LMYZSZJTNRPZJR-UHFFFAOYSA-N -1 3 362.418 3.267 20 0 FGADHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)NC1CCCCCCC1 ZINC000819997187 606978510 /nfs/dbraw/zinc/97/85/10/606978510.db2.gz SSEVTJHSSNGYLY-UHFFFAOYSA-N -1 3 357.458 3.253 20 0 FGADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NC1CCCCCCC1 ZINC000819997187 606978512 /nfs/dbraw/zinc/97/85/12/606978512.db2.gz SSEVTJHSSNGYLY-UHFFFAOYSA-N -1 3 357.458 3.253 20 0 FGADHM CCC[C@@H](NC(=O)c1sccc1-c1nnn[n-]1)c1ccc(F)cc1F ZINC000821020712 606982011 /nfs/dbraw/zinc/98/20/11/606982011.db2.gz GZRICWQKSCLHPX-CYBMUJFWSA-N -1 3 363.393 3.478 20 0 FGADHM CCC[C@@H](NC(=O)c1sccc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC000821020712 606982012 /nfs/dbraw/zinc/98/20/12/606982012.db2.gz GZRICWQKSCLHPX-CYBMUJFWSA-N -1 3 363.393 3.478 20 0 FGADHM C[C@@H]1c2cc(F)cc(F)c2CCN1Cc1cc(-c2nnn[n-]2)ccc1F ZINC000820819358 606982055 /nfs/dbraw/zinc/98/20/55/606982055.db2.gz HYJPAWBRPBGSCX-SNVBAGLBSA-N -1 3 359.355 3.403 20 0 FGADHM C[C@@H]1c2cc(F)cc(F)c2CCN1Cc1cc(-c2nn[n-]n2)ccc1F ZINC000820819358 606982056 /nfs/dbraw/zinc/98/20/56/606982056.db2.gz HYJPAWBRPBGSCX-SNVBAGLBSA-N -1 3 359.355 3.403 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)[C@H]1CCCc2ccccc21 ZINC000823421597 606994553 /nfs/dbraw/zinc/99/45/53/606994553.db2.gz DLRLZHDIYAMRKM-HNNXBMFYSA-N -1 3 352.369 3.169 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)[C@H]1CCCc2ccccc21 ZINC000823421597 606994556 /nfs/dbraw/zinc/99/45/56/606994556.db2.gz DLRLZHDIYAMRKM-HNNXBMFYSA-N -1 3 352.369 3.169 20 0 FGADHM COc1cc(Cl)ccc1C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000821717570 606996605 /nfs/dbraw/zinc/99/66/05/606996605.db2.gz QURQPMZTZZVVKM-UHFFFAOYSA-N -1 3 362.748 3.025 20 0 FGADHM COc1cc(Cl)ccc1C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821717570 606996607 /nfs/dbraw/zinc/99/66/07/606996607.db2.gz QURQPMZTZZVVKM-UHFFFAOYSA-N -1 3 362.748 3.025 20 0 FGADHM C[C@H](CSc1ccccc1)C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820292338 606999538 /nfs/dbraw/zinc/99/95/38/606999538.db2.gz CWVKZCWFOPVLEG-GFCCVEGCSA-N -1 3 372.425 3.477 20 0 FGADHM C[C@H](CSc1ccccc1)C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820292338 606999540 /nfs/dbraw/zinc/99/95/40/606999540.db2.gz CWVKZCWFOPVLEG-GFCCVEGCSA-N -1 3 372.425 3.477 20 0 FGADHM CC(=O)c1cccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(C)C)c1 ZINC000819845634 607000425 /nfs/dbraw/zinc/00/04/25/607000425.db2.gz XAROPVQJMYNLHJ-UHFFFAOYSA-N -1 3 365.393 3.109 20 0 FGADHM CC(C)[C@@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000820649622 607013527 /nfs/dbraw/zinc/01/35/27/607013527.db2.gz NJFVNDQSMJOVDX-CKEIUWERSA-N -1 3 373.526 3.488 20 0 FGADHM CC(C)[C@@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000820649622 607013528 /nfs/dbraw/zinc/01/35/28/607013528.db2.gz NJFVNDQSMJOVDX-CKEIUWERSA-N -1 3 373.526 3.488 20 0 FGADHM C[C@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1c(F)cccc1F ZINC000820556843 607015123 /nfs/dbraw/zinc/01/51/23/607015123.db2.gz VSHQXOKHSXECIG-VIFPVBQESA-N -1 3 361.377 3.264 20 0 FGADHM C[C@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1c(F)cccc1F ZINC000820556843 607015124 /nfs/dbraw/zinc/01/51/24/607015124.db2.gz VSHQXOKHSXECIG-VIFPVBQESA-N -1 3 361.377 3.264 20 0 FGADHM Cc1ccc(CN(C)C(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000822235973 607021379 /nfs/dbraw/zinc/02/13/79/607021379.db2.gz DQMGKTKARSBTOY-UHFFFAOYSA-N -1 3 371.466 3.053 20 0 FGADHM Cc1ccc(CN(C)C(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000822235973 607021380 /nfs/dbraw/zinc/02/13/80/607021380.db2.gz DQMGKTKARSBTOY-UHFFFAOYSA-N -1 3 371.466 3.053 20 0 FGADHM Cc1c2cc(C)ccc2[nH]c1C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000822271329 607023244 /nfs/dbraw/zinc/02/32/44/607023244.db2.gz XHRIWIJNTKMEJC-UHFFFAOYSA-N -1 3 364.384 3.034 20 0 FGADHM Cc1c2cc(C)ccc2[nH]c1C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000822271329 607023245 /nfs/dbraw/zinc/02/32/45/607023245.db2.gz XHRIWIJNTKMEJC-UHFFFAOYSA-N -1 3 364.384 3.034 20 0 FGADHM Fc1ccc(-c2nnn[n-]2)c(CSCCOCCOc2ccccc2)c1 ZINC000822758176 607033758 /nfs/dbraw/zinc/03/37/58/607033758.db2.gz LAHZQQVIVNHLRL-UHFFFAOYSA-N -1 3 374.441 3.335 20 0 FGADHM Fc1ccc(-c2nn[n-]n2)c(CSCCOCCOc2ccccc2)c1 ZINC000822758176 607033760 /nfs/dbraw/zinc/03/37/60/607033760.db2.gz LAHZQQVIVNHLRL-UHFFFAOYSA-N -1 3 374.441 3.335 20 0 FGADHM Fc1ccc(-c2nnn[n-]2)c(CSc2nncn2-c2ccccc2F)c1 ZINC000822758852 607038598 /nfs/dbraw/zinc/03/85/98/607038598.db2.gz ZUDNTJCFVFZNCH-UHFFFAOYSA-N -1 3 371.376 3.018 20 0 FGADHM Fc1ccc(-c2nn[n-]n2)c(CSc2nncn2-c2ccccc2F)c1 ZINC000822758852 607038601 /nfs/dbraw/zinc/03/86/01/607038601.db2.gz ZUDNTJCFVFZNCH-UHFFFAOYSA-N -1 3 371.376 3.018 20 0 FGADHM COc1ccc(C(C)(C)C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821772703 607051495 /nfs/dbraw/zinc/05/14/95/607051495.db2.gz MIHJVEIDWCBKMW-ZDUSSCGKSA-N -1 3 365.437 3.030 20 0 FGADHM COc1ccc(C(C)(C)C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821772703 607051496 /nfs/dbraw/zinc/05/14/96/607051496.db2.gz MIHJVEIDWCBKMW-ZDUSSCGKSA-N -1 3 365.437 3.030 20 0 FGADHM CCC1(CC)[C@H](N(C)C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)C[C@@H]1OC ZINC000820955451 607066277 /nfs/dbraw/zinc/06/62/77/607066277.db2.gz CBXZOMYPGNMYPE-CVEARBPZSA-N -1 3 372.473 3.233 20 0 FGADHM CCC1(CC)[C@H](N(C)C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)C[C@@H]1OC ZINC000820955451 607066279 /nfs/dbraw/zinc/06/62/79/607066279.db2.gz CBXZOMYPGNMYPE-CVEARBPZSA-N -1 3 372.473 3.233 20 0 FGADHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)[C@@H]1CCCc2ccccc21 ZINC000823413193 607077853 /nfs/dbraw/zinc/07/78/53/607077853.db2.gz CCHSTKTVQHEKRQ-QGZVFWFLSA-N -1 3 352.369 3.169 20 0 FGADHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)[C@@H]1CCCc2ccccc21 ZINC000823413193 607077855 /nfs/dbraw/zinc/07/78/55/607077855.db2.gz CCHSTKTVQHEKRQ-QGZVFWFLSA-N -1 3 352.369 3.169 20 0 FGADHM C[C@@H](OC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000820481032 607082496 /nfs/dbraw/zinc/08/24/96/607082496.db2.gz RTTBRNRGZCYIGS-CYBMUJFWSA-N -1 3 352.394 3.329 20 0 FGADHM C[C@@H](OC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000820481032 607082499 /nfs/dbraw/zinc/08/24/99/607082499.db2.gz RTTBRNRGZCYIGS-CYBMUJFWSA-N -1 3 352.394 3.329 20 0 FGADHM CC[C@H](Oc1ccccc1C)C(=O)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000820939290 607085436 /nfs/dbraw/zinc/08/54/36/607085436.db2.gz SQHMEHGKZRBBCO-INIZCTEOSA-N -1 3 370.384 3.215 20 0 FGADHM CC[C@H](Oc1ccccc1C)C(=O)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000820939290 607085438 /nfs/dbraw/zinc/08/54/38/607085438.db2.gz SQHMEHGKZRBBCO-INIZCTEOSA-N -1 3 370.384 3.215 20 0 FGADHM CCCOc1cccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2NCC)c1 ZINC000821134475 607099300 /nfs/dbraw/zinc/09/93/00/607099300.db2.gz WWCOAJQTSAOQEG-UHFFFAOYSA-N -1 3 366.425 3.340 20 0 FGADHM C[C@H](c1ccccc1)N(C)C(=O)CNc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820564283 607125464 /nfs/dbraw/zinc/12/54/64/607125464.db2.gz ZHIYNXWAEUFJNF-GFCCVEGCSA-N -1 3 370.844 3.152 20 0 FGADHM Cc1nc(-c2ccncc2)nc(Oc2ccc(-c3nnn[n-]3)cc2F)c1C ZINC000822422700 607128823 /nfs/dbraw/zinc/12/88/23/607128823.db2.gz BTTDLBOGCJVAPP-UHFFFAOYSA-N -1 3 363.356 3.267 20 0 FGADHM Cc1nc(-c2ccncc2)nc(Oc2ccc(-c3nn[n-]n3)cc2F)c1C ZINC000822422700 607128824 /nfs/dbraw/zinc/12/88/24/607128824.db2.gz BTTDLBOGCJVAPP-UHFFFAOYSA-N -1 3 363.356 3.267 20 0 FGADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(N[C@H]2CCOC3(CCCC3)C2)n1 ZINC000822723645 607130253 /nfs/dbraw/zinc/13/02/53/607130253.db2.gz JFUWZYJIOZZMCV-JTQLQIEISA-N -1 3 368.363 3.184 20 0 FGADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(N[C@H]2CCOC3(CCCC3)C2)n1 ZINC000822723645 607130255 /nfs/dbraw/zinc/13/02/55/607130255.db2.gz JFUWZYJIOZZMCV-JTQLQIEISA-N -1 3 368.363 3.184 20 0 FGADHM Fc1ccc2c(c1F)CN(c1nc3ccccc3cc1-c1nnn[n-]1)CC2 ZINC000822787084 607132095 /nfs/dbraw/zinc/13/20/95/607132095.db2.gz UXWQGKZXHBGCQI-UHFFFAOYSA-N -1 3 364.359 3.256 20 0 FGADHM Fc1ccc2c(c1F)CN(c1nc3ccccc3cc1-c1nn[n-]n1)CC2 ZINC000822787084 607132097 /nfs/dbraw/zinc/13/20/97/607132097.db2.gz UXWQGKZXHBGCQI-UHFFFAOYSA-N -1 3 364.359 3.256 20 0 FGADHM C[C@@H](Oc1ccc(-c2nnn[n-]2)cc1F)c1nc(-c2ccccc2)no1 ZINC000820533577 607139049 /nfs/dbraw/zinc/13/90/49/607139049.db2.gz GCSCICQPOANMBA-SNVBAGLBSA-N -1 3 352.329 3.196 20 0 FGADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1F)c1nc(-c2ccccc2)no1 ZINC000820533577 607139051 /nfs/dbraw/zinc/13/90/51/607139051.db2.gz GCSCICQPOANMBA-SNVBAGLBSA-N -1 3 352.329 3.196 20 0 FGADHM C[C@@H](Oc1ccc(-c2nnn[n-]2)cc1F)c1nc(-c2cccs2)no1 ZINC000820533384 607139182 /nfs/dbraw/zinc/13/91/82/607139182.db2.gz DUWOMQZOVRQODA-MRVPVSSYSA-N -1 3 358.358 3.257 20 0 FGADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1F)c1nc(-c2cccs2)no1 ZINC000820533384 607139183 /nfs/dbraw/zinc/13/91/83/607139183.db2.gz DUWOMQZOVRQODA-MRVPVSSYSA-N -1 3 358.358 3.257 20 0 FGADHM CCC(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)cc1 ZINC000820838630 607152265 /nfs/dbraw/zinc/15/22/65/607152265.db2.gz YMSAAWNPWCQKEX-UHFFFAOYSA-N -1 3 355.785 3.365 20 0 FGADHM CCC(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)cc1 ZINC000820838630 607152266 /nfs/dbraw/zinc/15/22/66/607152266.db2.gz YMSAAWNPWCQKEX-UHFFFAOYSA-N -1 3 355.785 3.365 20 0 FGADHM CCc1oc(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)cc1C ZINC000821558907 607152455 /nfs/dbraw/zinc/15/24/55/607152455.db2.gz KGLNCGHGDSPRDS-UHFFFAOYSA-N -1 3 351.410 3.135 20 0 FGADHM CCc1oc(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)cc1C ZINC000821558907 607152456 /nfs/dbraw/zinc/15/24/56/607152456.db2.gz KGLNCGHGDSPRDS-UHFFFAOYSA-N -1 3 351.410 3.135 20 0 FGADHM CCO[C@H](CC(=O)N(CC)[C@H](C)c1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000821351279 607153592 /nfs/dbraw/zinc/15/35/92/607153592.db2.gz OIIUJLAPIPBIDA-RHSMWYFYSA-N -1 3 359.474 3.227 20 0 FGADHM CCO[C@H](CC(=O)N(CC)[C@H](C)c1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000821351279 607153593 /nfs/dbraw/zinc/15/35/93/607153593.db2.gz OIIUJLAPIPBIDA-RHSMWYFYSA-N -1 3 359.474 3.227 20 0 FGADHM CCC[C@H](C)[C@H]1CCCN1C(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000821014675 607164415 /nfs/dbraw/zinc/16/44/15/607164415.db2.gz JRSGZVZCQHWZHV-SQWLQELKSA-N -1 3 357.458 3.061 20 0 FGADHM CCC[C@H](C)[C@H]1CCCN1C(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000821014675 607164416 /nfs/dbraw/zinc/16/44/16/607164416.db2.gz JRSGZVZCQHWZHV-SQWLQELKSA-N -1 3 357.458 3.061 20 0 FGADHM Clc1cccc(NCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)c1 ZINC000822586058 607164741 /nfs/dbraw/zinc/16/47/41/607164741.db2.gz RNZKKZQJBRLCNC-UHFFFAOYSA-N -1 3 353.773 3.182 20 0 FGADHM Clc1cccc(NCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)c1 ZINC000822586058 607164742 /nfs/dbraw/zinc/16/47/42/607164742.db2.gz RNZKKZQJBRLCNC-UHFFFAOYSA-N -1 3 353.773 3.182 20 0 FGADHM CCCCC[C@@H]1CCCN1C(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000821050736 607165039 /nfs/dbraw/zinc/16/50/39/607165039.db2.gz TXMKHJVUDZWTEC-GDBMZVCRSA-N -1 3 357.458 3.205 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1cccc(OC(F)F)c1 ZINC000823318321 607190339 /nfs/dbraw/zinc/19/03/39/607190339.db2.gz BXIPUSFEROPJHA-UHFFFAOYSA-N -1 3 365.727 3.374 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1cccc(OC(F)F)c1 ZINC000823318321 607190340 /nfs/dbraw/zinc/19/03/40/607190340.db2.gz BXIPUSFEROPJHA-UHFFFAOYSA-N -1 3 365.727 3.374 20 0 FGADHM C[C@@H](Cc1ccccc1F)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820301367 607190770 /nfs/dbraw/zinc/19/07/70/607190770.db2.gz VWZYNXOAMFWLAG-JTQLQIEISA-N -1 3 359.792 3.477 20 0 FGADHM C[C@@H](Cc1ccccc1F)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820301367 607190771 /nfs/dbraw/zinc/19/07/71/607190771.db2.gz VWZYNXOAMFWLAG-JTQLQIEISA-N -1 3 359.792 3.477 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1cc(F)c(F)c(F)c1 ZINC000823318901 607192273 /nfs/dbraw/zinc/19/22/73/607192273.db2.gz NISNURAXJWEAIX-UHFFFAOYSA-N -1 3 353.691 3.190 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1cc(F)c(F)c(F)c1 ZINC000823318901 607192274 /nfs/dbraw/zinc/19/22/74/607192274.db2.gz NISNURAXJWEAIX-UHFFFAOYSA-N -1 3 353.691 3.190 20 0 FGADHM C[C@H](COc1ccccc1)NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820294020 607196530 /nfs/dbraw/zinc/19/65/30/607196530.db2.gz QIDIUUHWKNWHSD-LLVKDONJSA-N -1 3 372.816 3.109 20 0 FGADHM C[C@H](COc1ccccc1)NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820294020 607196531 /nfs/dbraw/zinc/19/65/31/607196531.db2.gz QIDIUUHWKNWHSD-LLVKDONJSA-N -1 3 372.816 3.109 20 0 FGADHM COc1cc(Cl)ccc1C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821717586 607241436 /nfs/dbraw/zinc/24/14/36/607241436.db2.gz QXQDNZPWBNDIPU-UHFFFAOYSA-N -1 3 364.192 3.434 20 0 FGADHM COc1cc(Cl)ccc1C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821717586 607241437 /nfs/dbraw/zinc/24/14/37/607241437.db2.gz QXQDNZPWBNDIPU-UHFFFAOYSA-N -1 3 364.192 3.434 20 0 FGADHM CCO[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)c1ccccc1 ZINC000821346153 607241616 /nfs/dbraw/zinc/24/16/16/607241616.db2.gz DFKFEMWFPAGDIY-HNNXBMFYSA-N -1 3 357.801 3.236 20 0 FGADHM CCO[C@H](C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)c1ccccc1 ZINC000821346153 607241617 /nfs/dbraw/zinc/24/16/17/607241617.db2.gz DFKFEMWFPAGDIY-HNNXBMFYSA-N -1 3 357.801 3.236 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)[C@@H]1C[C@@H]1Cc1ccccc1 ZINC000823314166 607242628 /nfs/dbraw/zinc/24/26/28/607242628.db2.gz NEZAJFWOBCFWTN-UONOGXRCSA-N -1 3 353.813 3.337 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)[C@@H]1C[C@@H]1Cc1ccccc1 ZINC000823314166 607242629 /nfs/dbraw/zinc/24/26/29/607242629.db2.gz NEZAJFWOBCFWTN-UONOGXRCSA-N -1 3 353.813 3.337 20 0 FGADHM CC(C)Cc1nc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cs1 ZINC000820108581 607243483 /nfs/dbraw/zinc/24/34/83/607243483.db2.gz NTNQSVAUCQEDBH-UHFFFAOYSA-N -1 3 362.846 3.427 20 0 FGADHM CC(C)Cc1nc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cs1 ZINC000820108581 607243484 /nfs/dbraw/zinc/24/34/84/607243484.db2.gz NTNQSVAUCQEDBH-UHFFFAOYSA-N -1 3 362.846 3.427 20 0 FGADHM Cc1ccc(OCCCC(=O)Oc2ccc(-c3nnn[n-]3)cc2F)cc1C ZINC000822263554 607244877 /nfs/dbraw/zinc/24/48/77/607244877.db2.gz SMVMTGVUJGQGOP-UHFFFAOYSA-N -1 3 370.384 3.387 20 0 FGADHM Cc1ccc(OCCCC(=O)Oc2ccc(-c3nn[n-]n3)cc2F)cc1C ZINC000822263554 607244878 /nfs/dbraw/zinc/24/48/78/607244878.db2.gz SMVMTGVUJGQGOP-UHFFFAOYSA-N -1 3 370.384 3.387 20 0 FGADHM O=C(Cc1csc2ccccc12)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000823118620 607245722 /nfs/dbraw/zinc/24/57/22/607245722.db2.gz IZRIKZMODCOMLR-UHFFFAOYSA-N -1 3 354.366 3.369 20 0 FGADHM O=C(Cc1csc2ccccc12)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000823118620 607245723 /nfs/dbraw/zinc/24/57/23/607245723.db2.gz IZRIKZMODCOMLR-UHFFFAOYSA-N -1 3 354.366 3.369 20 0 FGADHM C[C@H](C(=O)Oc1ccc(-c2nnn[n-]2)cc1F)c1ccc(Cl)s1 ZINC000819882598 607245890 /nfs/dbraw/zinc/24/58/90/607245890.db2.gz BWMSJMJHTNDDAP-ZETCQYMHSA-N -1 3 352.778 3.430 20 0 FGADHM C[C@H](C(=O)Oc1ccc(-c2nn[n-]n2)cc1F)c1ccc(Cl)s1 ZINC000819882598 607245891 /nfs/dbraw/zinc/24/58/91/607245891.db2.gz BWMSJMJHTNDDAP-ZETCQYMHSA-N -1 3 352.778 3.430 20 0 FGADHM Cc1nc(CC(C)C)c(C(=O)Oc2ccc(-c3nnn[n-]3)cc2F)s1 ZINC000822436586 607248884 /nfs/dbraw/zinc/24/88/84/607248884.db2.gz OIHDLKNQEXREOL-UHFFFAOYSA-N -1 3 361.402 3.188 20 0 FGADHM Cc1nc(CC(C)C)c(C(=O)Oc2ccc(-c3nn[n-]n3)cc2F)s1 ZINC000822436586 607248885 /nfs/dbraw/zinc/24/88/85/607248885.db2.gz OIHDLKNQEXREOL-UHFFFAOYSA-N -1 3 361.402 3.188 20 0 FGADHM CC[C@@H](C)OCC(=O)N(Cc1ccccc1)c1ccccc1-c1nnn[n-]1 ZINC000825066236 607784596 /nfs/dbraw/zinc/78/45/96/607784596.db2.gz AIXNQFZQXZLWRH-OAHLLOKOSA-N -1 3 365.437 3.215 20 0 FGADHM CC[C@@H](C)OCC(=O)N(Cc1ccccc1)c1ccccc1-c1nn[n-]n1 ZINC000825066236 607784597 /nfs/dbraw/zinc/78/45/97/607784597.db2.gz AIXNQFZQXZLWRH-OAHLLOKOSA-N -1 3 365.437 3.215 20 0 FGADHM CN(C(=O)CCCc1c[nH]c2ccccc12)c1ccccc1-c1nnn[n-]1 ZINC000825817147 607786291 /nfs/dbraw/zinc/78/62/91/607786291.db2.gz CLRJUFUPWWIIJH-UHFFFAOYSA-N -1 3 360.421 3.334 20 0 FGADHM CN(C(=O)CCCc1c[nH]c2ccccc12)c1ccccc1-c1nn[n-]n1 ZINC000825817147 607786292 /nfs/dbraw/zinc/78/62/92/607786292.db2.gz CLRJUFUPWWIIJH-UHFFFAOYSA-N -1 3 360.421 3.334 20 0 FGADHM COc1ccc2oc(C)c(C(=O)N(C)c3ccccc3-c3nnn[n-]3)c2c1 ZINC000826213757 607787401 /nfs/dbraw/zinc/78/74/01/607787401.db2.gz LDGNOMHBLMAVBH-UHFFFAOYSA-N -1 3 363.377 3.207 20 0 FGADHM COc1ccc2oc(C)c(C(=O)N(C)c3ccccc3-c3nn[n-]n3)c2c1 ZINC000826213757 607787402 /nfs/dbraw/zinc/78/74/02/607787402.db2.gz LDGNOMHBLMAVBH-UHFFFAOYSA-N -1 3 363.377 3.207 20 0 FGADHM C[C@@H]1CCc2c(C(=O)N(C)c3ccccc3-c3nnn[n-]3)csc2C1 ZINC000824967479 607789654 /nfs/dbraw/zinc/78/96/54/607789654.db2.gz KQAWOAAQCIEBMJ-LLVKDONJSA-N -1 3 353.451 3.330 20 0 FGADHM C[C@@H]1CCc2c(C(=O)N(C)c3ccccc3-c3nn[n-]n3)csc2C1 ZINC000824967479 607789655 /nfs/dbraw/zinc/78/96/55/607789655.db2.gz KQAWOAAQCIEBMJ-LLVKDONJSA-N -1 3 353.451 3.330 20 0 FGADHM CN(C(=O)[C@H]1C[C@H]1c1cccc(Cl)c1)c1ccccc1-c1nnn[n-]1 ZINC000825812878 607789873 /nfs/dbraw/zinc/78/98/73/607789873.db2.gz WPHLSMNRAROADW-GJZGRUSLSA-N -1 3 353.813 3.287 20 0 FGADHM CN(C(=O)[C@H]1C[C@H]1c1cccc(Cl)c1)c1ccccc1-c1nn[n-]n1 ZINC000825812878 607789874 /nfs/dbraw/zinc/78/98/74/607789874.db2.gz WPHLSMNRAROADW-GJZGRUSLSA-N -1 3 353.813 3.287 20 0 FGADHM Cc1cc(Cl)c(NC(=O)c2cc(-c3nnn[n-]3)cn2C)cc1Cl ZINC000826267696 607791604 /nfs/dbraw/zinc/79/16/04/607791604.db2.gz QURDSOKDDGYFEI-UHFFFAOYSA-N -1 3 351.197 3.073 20 0 FGADHM Cc1cc(Cl)c(NC(=O)c2cc(-c3nn[n-]n3)cn2C)cc1Cl ZINC000826267696 607791605 /nfs/dbraw/zinc/79/16/05/607791605.db2.gz QURDSOKDDGYFEI-UHFFFAOYSA-N -1 3 351.197 3.073 20 0 FGADHM C[C@@H](NC(=O)NCC(C)(C)C1CCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824498615 607793047 /nfs/dbraw/zinc/79/30/47/607793047.db2.gz IYHGHWVQMXTFJH-CYBMUJFWSA-N -1 3 356.474 3.443 20 0 FGADHM C[C@@H](NC(=O)NCC(C)(C)C1CCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824498615 607793048 /nfs/dbraw/zinc/79/30/48/607793048.db2.gz IYHGHWVQMXTFJH-CYBMUJFWSA-N -1 3 356.474 3.443 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C(C1CC1)C1CC1 ZINC000826452249 607796276 /nfs/dbraw/zinc/79/62/76/607796276.db2.gz MMYNCYXOHMEDNB-UHFFFAOYSA-N -1 3 351.332 3.260 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C(C1CC1)C1CC1 ZINC000826452249 607796277 /nfs/dbraw/zinc/79/62/77/607796277.db2.gz MMYNCYXOHMEDNB-UHFFFAOYSA-N -1 3 351.332 3.260 20 0 FGADHM CCN(C(=O)[C@@H](C)CCOc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825363155 607796385 /nfs/dbraw/zinc/79/63/85/607796385.db2.gz VDNBSCISZDDXER-HNNXBMFYSA-N -1 3 365.437 3.325 20 0 FGADHM CCN(C(=O)[C@@H](C)CCOc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825363155 607796386 /nfs/dbraw/zinc/79/63/86/607796386.db2.gz VDNBSCISZDDXER-HNNXBMFYSA-N -1 3 365.437 3.325 20 0 FGADHM CCOc1cc(C(=O)N(CC)c2ccc(-c3nnn[n-]3)cc2)ccc1C ZINC000825616017 607796796 /nfs/dbraw/zinc/79/67/96/607796796.db2.gz TUQDWXBZVHYBNP-UHFFFAOYSA-N -1 3 351.410 3.241 20 0 FGADHM CCOc1cc(C(=O)N(CC)c2ccc(-c3nn[n-]n3)cc2)ccc1C ZINC000825616017 607796797 /nfs/dbraw/zinc/79/67/97/607796797.db2.gz TUQDWXBZVHYBNP-UHFFFAOYSA-N -1 3 351.410 3.241 20 0 FGADHM CCN(C(=O)[C@H]1SCCc2sccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000825366852 607797063 /nfs/dbraw/zinc/79/70/63/607797063.db2.gz HABHSMKFAFHTKT-HNNXBMFYSA-N -1 3 371.491 3.312 20 0 FGADHM CCN(C(=O)[C@H]1SCCc2sccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000825366852 607797064 /nfs/dbraw/zinc/79/70/64/607797064.db2.gz HABHSMKFAFHTKT-HNNXBMFYSA-N -1 3 371.491 3.312 20 0 FGADHM CCN(C(=O)CSCc1cccc(C)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825376892 607797373 /nfs/dbraw/zinc/79/73/73/607797373.db2.gz PJGFAPLJANFCLV-UHFFFAOYSA-N -1 3 367.478 3.461 20 0 FGADHM CCN(C(=O)CSCc1cccc(C)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825376892 607797374 /nfs/dbraw/zinc/79/73/74/607797374.db2.gz PJGFAPLJANFCLV-UHFFFAOYSA-N -1 3 367.478 3.461 20 0 FGADHM CC(C)C1CN(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C1 ZINC000824224200 607803765 /nfs/dbraw/zinc/80/37/65/607803765.db2.gz NJORRFGRKISDKB-UHFFFAOYSA-N -1 3 354.336 3.005 20 0 FGADHM CC(C)C1CN(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C1 ZINC000824224200 607803766 /nfs/dbraw/zinc/80/37/66/607803766.db2.gz NJORRFGRKISDKB-UHFFFAOYSA-N -1 3 354.336 3.005 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NCc1cnoc1-c1ccco1 ZINC000825632120 607813995 /nfs/dbraw/zinc/81/39/95/607813995.db2.gz LQGGVZMDDXAKMU-UHFFFAOYSA-N -1 3 352.354 3.126 20 0 FGADHM Cc1ccc(CC(=O)N(Cc2ccco2)c2ccccc2-c2nnn[n-]2)o1 ZINC000826286404 607827517 /nfs/dbraw/zinc/82/75/17/607827517.db2.gz ARENRJRXWUAAJH-UHFFFAOYSA-N -1 3 363.377 3.137 20 0 FGADHM Cc1ccc(CC(=O)N(Cc2ccco2)c2ccccc2-c2nn[n-]n2)o1 ZINC000826286404 607827518 /nfs/dbraw/zinc/82/75/18/607827518.db2.gz ARENRJRXWUAAJH-UHFFFAOYSA-N -1 3 363.377 3.137 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N(CCc1nccs1)C(C)C ZINC000826278335 607835346 /nfs/dbraw/zinc/83/53/46/607835346.db2.gz YJPLEFSDFDOHPZ-UHFFFAOYSA-N -1 3 371.470 3.117 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N(CCc1nccs1)C(C)C ZINC000826278335 607835347 /nfs/dbraw/zinc/83/53/47/607835347.db2.gz YJPLEFSDFDOHPZ-UHFFFAOYSA-N -1 3 371.470 3.117 20 0 FGADHM Cc1noc(C)c1[C@@H](C)CC(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826338185 607837126 /nfs/dbraw/zinc/83/71/26/607837126.db2.gz NJHBGMLKLSSCLL-JQWIXIFHSA-N -1 3 355.398 3.270 20 0 FGADHM Cc1noc(C)c1[C@@H](C)CC(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826338185 607837127 /nfs/dbraw/zinc/83/71/27/607837127.db2.gz NJHBGMLKLSSCLL-JQWIXIFHSA-N -1 3 355.398 3.270 20 0 FGADHM Cc1cc(C)c(CNc2cc(-c3nnn[n-]3)ccc2C(F)(F)F)c(=O)[nH]1 ZINC000826263273 607839047 /nfs/dbraw/zinc/83/90/47/607839047.db2.gz SORPUDNAVGDJLD-UHFFFAOYSA-N -1 3 364.331 3.215 20 0 FGADHM Cc1cc(C)c(CNc2cc(-c3nn[n-]n3)ccc2C(F)(F)F)c(=O)[nH]1 ZINC000826263273 607839048 /nfs/dbraw/zinc/83/90/48/607839048.db2.gz SORPUDNAVGDJLD-UHFFFAOYSA-N -1 3 364.331 3.215 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)c1cccc(C)c1Cl ZINC000825609457 607851679 /nfs/dbraw/zinc/85/16/79/607851679.db2.gz MNWKPDQUXNOOLJ-UHFFFAOYSA-N -1 3 358.785 3.446 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)c1cccc(C)c1Cl ZINC000825609457 607851680 /nfs/dbraw/zinc/85/16/80/607851680.db2.gz MNWKPDQUXNOOLJ-UHFFFAOYSA-N -1 3 358.785 3.446 20 0 FGADHM C[C@H](Cc1cccc(Cl)c1)C(=O)N(C)c1cccc(-c2nnn[n-]2)c1 ZINC000824457820 607886619 /nfs/dbraw/zinc/88/66/19/607886619.db2.gz SPWDUMAGDMTIFB-GFCCVEGCSA-N -1 3 355.829 3.362 20 0 FGADHM C[C@H](Cc1cccc(Cl)c1)C(=O)N(C)c1cccc(-c2nn[n-]n2)c1 ZINC000824457820 607886620 /nfs/dbraw/zinc/88/66/20/607886620.db2.gz SPWDUMAGDMTIFB-GFCCVEGCSA-N -1 3 355.829 3.362 20 0 FGADHM C[C@H](Nc1ccc(Cl)cc1-c1nnn[n-]1)c1ccc([S@](C)=O)cc1 ZINC000824656563 607903094 /nfs/dbraw/zinc/90/30/94/607903094.db2.gz LWCJJCVMGNVDLY-JUZXBQNTSA-N -1 3 361.858 3.431 20 0 FGADHM C[C@H](Nc1ccc(Cl)cc1-c1nn[n-]n1)c1ccc([S@](C)=O)cc1 ZINC000824656563 607903095 /nfs/dbraw/zinc/90/30/95/607903095.db2.gz LWCJJCVMGNVDLY-JUZXBQNTSA-N -1 3 361.858 3.431 20 0 FGADHM C[C@H](Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccc(-n2ccnn2)cc1 ZINC000824648433 607904205 /nfs/dbraw/zinc/90/42/05/607904205.db2.gz GCJPFKPRKKKKFW-NSHDSACASA-N -1 3 366.816 3.274 20 0 FGADHM C[C@H](Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc(-n2ccnn2)cc1 ZINC000824648433 607904206 /nfs/dbraw/zinc/90/42/06/607904206.db2.gz GCJPFKPRKKKKFW-NSHDSACASA-N -1 3 366.816 3.274 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(C)Cc1cccc(OC(C)C)c1 ZINC000826243323 607911980 /nfs/dbraw/zinc/91/19/80/607911980.db2.gz CWPQCKIOLHZJQD-UHFFFAOYSA-N -1 3 365.437 3.235 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(C)Cc1cccc(OC(C)C)c1 ZINC000826243323 607911981 /nfs/dbraw/zinc/91/19/81/607911981.db2.gz CWPQCKIOLHZJQD-UHFFFAOYSA-N -1 3 365.437 3.235 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cccc(C)c1Br ZINC000826278561 607936954 /nfs/dbraw/zinc/93/69/54/607936954.db2.gz JAHGHMIHEFXHBN-UHFFFAOYSA-N -1 3 372.226 3.498 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cccc(C)c1Br ZINC000826278561 607936955 /nfs/dbraw/zinc/93/69/55/607936955.db2.gz JAHGHMIHEFXHBN-UHFFFAOYSA-N -1 3 372.226 3.498 20 0 FGADHM CCC(=O)c1cc(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)ccc1F ZINC000825034195 607940209 /nfs/dbraw/zinc/94/02/09/607940209.db2.gz GHPGRABMURDRKO-NSHDSACASA-N -1 3 367.384 3.090 20 0 FGADHM CCC(=O)c1cc(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)ccc1F ZINC000825034195 607940210 /nfs/dbraw/zinc/94/02/10/607940210.db2.gz GHPGRABMURDRKO-NSHDSACASA-N -1 3 367.384 3.090 20 0 FGADHM CCC(=O)c1cc(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)ccc1F ZINC000825034370 607942040 /nfs/dbraw/zinc/94/20/40/607942040.db2.gz IOSIBBRHUCRZNG-UHFFFAOYSA-N -1 3 353.357 3.159 20 0 FGADHM CCC(=O)c1cc(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)ccc1F ZINC000825034370 607942041 /nfs/dbraw/zinc/94/20/41/607942041.db2.gz IOSIBBRHUCRZNG-UHFFFAOYSA-N -1 3 353.357 3.159 20 0 FGADHM Cc1ccc2c(CC(=O)N3CCc4ccc(-c5nnn[n-]5)cc43)coc2c1C ZINC000826293130 607947412 /nfs/dbraw/zinc/94/74/12/607947412.db2.gz BURSEUMBIIONGN-UHFFFAOYSA-N -1 3 373.416 3.362 20 0 FGADHM Cc1ccc2c(CC(=O)N3CCc4ccc(-c5nn[n-]n5)cc43)coc2c1C ZINC000826293130 607947413 /nfs/dbraw/zinc/94/74/13/607947413.db2.gz BURSEUMBIIONGN-UHFFFAOYSA-N -1 3 373.416 3.362 20 0 FGADHM Cc1onc(-c2ccccc2)c1C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826343179 607948284 /nfs/dbraw/zinc/94/82/84/607948284.db2.gz PRWBEPKRWHLMQV-UHFFFAOYSA-N -1 3 372.388 3.033 20 0 FGADHM Cc1onc(-c2ccccc2)c1C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826343179 607948285 /nfs/dbraw/zinc/94/82/85/607948285.db2.gz PRWBEPKRWHLMQV-UHFFFAOYSA-N -1 3 372.388 3.033 20 0 FGADHM C[C@H](Cc1ccccc1Cl)C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000824457193 607952276 /nfs/dbraw/zinc/95/22/76/607952276.db2.gz HBCGKHSZRJASNR-GFCCVEGCSA-N -1 3 367.840 3.288 20 0 FGADHM C[C@H](Cc1ccccc1Cl)C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000824457193 607952277 /nfs/dbraw/zinc/95/22/77/607952277.db2.gz HBCGKHSZRJASNR-GFCCVEGCSA-N -1 3 367.840 3.288 20 0 FGADHM O=C(c1cc(Cl)cc(Cl)c1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826470325 607954354 /nfs/dbraw/zinc/95/43/54/607954354.db2.gz MGXMUVPISXMFSG-UHFFFAOYSA-N -1 3 360.204 3.376 20 0 FGADHM O=C(c1cc(Cl)cc(Cl)c1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826470325 607954355 /nfs/dbraw/zinc/95/43/55/607954355.db2.gz MGXMUVPISXMFSG-UHFFFAOYSA-N -1 3 360.204 3.376 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CCc2c(F)cccc2C1 ZINC000826452447 607961273 /nfs/dbraw/zinc/96/12/73/607961273.db2.gz UFQKNJJQAFRPGP-UHFFFAOYSA-N -1 3 372.791 3.249 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CCc2c(F)cccc2C1 ZINC000826452447 607961274 /nfs/dbraw/zinc/96/12/74/607961274.db2.gz UFQKNJJQAFRPGP-UHFFFAOYSA-N -1 3 372.791 3.249 20 0 FGADHM OC[C@@H](Nc1ccc(F)cc1-c1nnn[n-]1)c1ccc(C(F)(F)F)cc1 ZINC000826508206 607969170 /nfs/dbraw/zinc/96/91/70/607969170.db2.gz HUDQBOUZSUWWPB-CQSZACIVSA-N -1 3 367.306 3.170 20 0 FGADHM OC[C@@H](Nc1ccc(F)cc1-c1nn[n-]n1)c1ccc(C(F)(F)F)cc1 ZINC000826508206 607969171 /nfs/dbraw/zinc/96/91/71/607969171.db2.gz HUDQBOUZSUWWPB-CQSZACIVSA-N -1 3 367.306 3.170 20 0 FGADHM O=C(C1CCC(F)(F)CC1)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000826398857 607970075 /nfs/dbraw/zinc/97/00/75/607970075.db2.gz HNJLAVDVOJTTOJ-UHFFFAOYSA-N -1 3 361.396 3.183 20 0 FGADHM O=C(C1CCC(F)(F)CC1)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000826398857 607970076 /nfs/dbraw/zinc/97/00/76/607970076.db2.gz HNJLAVDVOJTTOJ-UHFFFAOYSA-N -1 3 361.396 3.183 20 0 FGADHM CCCn1c2ccc(-c3nnn[n-]3)cc2nc1-c1ccc(N2CCCC2)nc1 ZINC000825352443 607974971 /nfs/dbraw/zinc/97/49/71/607974971.db2.gz NKUQRIUAGGHWLI-UHFFFAOYSA-N -1 3 374.452 3.289 20 0 FGADHM CCCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1ccc(N2CCCC2)nc1 ZINC000825352443 607974972 /nfs/dbraw/zinc/97/49/72/607974972.db2.gz NKUQRIUAGGHWLI-UHFFFAOYSA-N -1 3 374.452 3.289 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1cc(C2CCCCC2)[nH]n1 ZINC000826454372 607982213 /nfs/dbraw/zinc/98/22/13/607982213.db2.gz UDIGUXRUQOKWGT-UHFFFAOYSA-N -1 3 355.377 3.029 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1cc(C2CCCCC2)[nH]n1 ZINC000826454372 607982214 /nfs/dbraw/zinc/98/22/14/607982214.db2.gz UDIGUXRUQOKWGT-UHFFFAOYSA-N -1 3 355.377 3.029 20 0 FGADHM CC(=Cc1ccc(Cl)cc1)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000823943991 607984738 /nfs/dbraw/zinc/98/47/38/607984738.db2.gz WOPQQCFMCLMVKU-FLIBITNWSA-N -1 3 371.803 3.379 20 0 FGADHM CC(=Cc1ccc(Cl)cc1)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000823943991 607984739 /nfs/dbraw/zinc/98/47/39/607984739.db2.gz WOPQQCFMCLMVKU-FLIBITNWSA-N -1 3 371.803 3.379 20 0 FGADHM COc1ccc(C[C@H](C)C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826191461 607993214 /nfs/dbraw/zinc/99/32/14/607993214.db2.gz HNXBUZWILLZANM-KBPBESRZSA-N -1 3 366.421 3.358 20 0 FGADHM COc1ccc(C[C@H](C)C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826191461 607993215 /nfs/dbraw/zinc/99/32/15/607993215.db2.gz HNXBUZWILLZANM-KBPBESRZSA-N -1 3 366.421 3.358 20 0 FGADHM COCCCCNc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000826156248 608019050 /nfs/dbraw/zinc/01/90/50/608019050.db2.gz VTEKJUADXLCUCY-UHFFFAOYSA-N -1 3 371.416 3.423 20 0 FGADHM COCCCCNc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000826156248 608019051 /nfs/dbraw/zinc/01/90/51/608019051.db2.gz VTEKJUADXLCUCY-UHFFFAOYSA-N -1 3 371.416 3.423 20 0 FGADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H](C)c1ccc[nH]1 ZINC000824255241 608023845 /nfs/dbraw/zinc/02/38/45/608023845.db2.gz DRWVXPPMMDPFKY-AWEZNQCLSA-N -1 3 367.457 3.124 20 0 FGADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H](C)c1ccc[nH]1 ZINC000824255241 608023846 /nfs/dbraw/zinc/02/38/46/608023846.db2.gz DRWVXPPMMDPFKY-AWEZNQCLSA-N -1 3 367.457 3.124 20 0 FGADHM c1cc2nccc(N3CCO[C@H](c4cccc(-c5nn[n-]n5)c4)C3)c2s1 ZINC000826513598 608052939 /nfs/dbraw/zinc/05/29/39/608052939.db2.gz PVGSHHOKEOKLFO-INIZCTEOSA-N -1 3 364.434 3.054 20 0 FGADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2cccc([C@H]3CCOC3)c2)s1 ZINC000825694640 608061529 /nfs/dbraw/zinc/06/15/29/608061529.db2.gz XPFQGIXKNJMHRO-ZDUSSCGKSA-N -1 3 369.450 3.247 20 0 FGADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2cccc([C@H]3CCOC3)c2)s1 ZINC000825694640 608061530 /nfs/dbraw/zinc/06/15/30/608061530.db2.gz XPFQGIXKNJMHRO-ZDUSSCGKSA-N -1 3 369.450 3.247 20 0 FGADHM CCC(CC)[C@@H](C)C(=O)NC1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000825096899 608072181 /nfs/dbraw/zinc/07/21/81/608072181.db2.gz QXNZDRGCDIIMCD-CQSZACIVSA-N -1 3 370.501 3.024 20 0 FGADHM CCC(CC)[C@@H](C)C(=O)NC1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000825096899 608072182 /nfs/dbraw/zinc/07/21/82/608072182.db2.gz QXNZDRGCDIIMCD-CQSZACIVSA-N -1 3 370.501 3.024 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)NC1CCC(F)(F)CC1 ZINC000826452340 608073038 /nfs/dbraw/zinc/07/30/38/608073038.db2.gz PYGRWQISJATDBQ-UHFFFAOYSA-N -1 3 356.764 3.220 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)NC1CCC(F)(F)CC1 ZINC000826452340 608073039 /nfs/dbraw/zinc/07/30/39/608073039.db2.gz PYGRWQISJATDBQ-UHFFFAOYSA-N -1 3 356.764 3.220 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)N1CCc2ccc(Cl)cc2C1 ZINC000826454449 608073255 /nfs/dbraw/zinc/07/32/55/608073255.db2.gz XCTYHQLBQABKJM-UHFFFAOYSA-N -1 3 372.791 3.249 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)N1CCc2ccc(Cl)cc2C1 ZINC000826454449 608073256 /nfs/dbraw/zinc/07/32/56/608073256.db2.gz XCTYHQLBQABKJM-UHFFFAOYSA-N -1 3 372.791 3.249 20 0 FGADHM CCSCc1ccnc(NC(=O)CCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000825674680 608074028 /nfs/dbraw/zinc/07/40/28/608074028.db2.gz PWYPUTVVRFKFSB-UHFFFAOYSA-N -1 3 368.466 3.086 20 0 FGADHM CCSCc1ccnc(NC(=O)CCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000825674680 608074029 /nfs/dbraw/zinc/07/40/29/608074029.db2.gz PWYPUTVVRFKFSB-UHFFFAOYSA-N -1 3 368.466 3.086 20 0 FGADHM Clc1cc(-c2nnn[n-]2)ccc1OCc1ccc(-n2cccn2)cc1 ZINC000826350950 608089011 /nfs/dbraw/zinc/08/90/11/608089011.db2.gz RFYTWFDLYIXGMT-UHFFFAOYSA-N -1 3 352.785 3.285 20 0 FGADHM Clc1cc(-c2nn[n-]n2)ccc1OCc1ccc(-n2cccn2)cc1 ZINC000826350950 608089012 /nfs/dbraw/zinc/08/90/12/608089012.db2.gz RFYTWFDLYIXGMT-UHFFFAOYSA-N -1 3 352.785 3.285 20 0 FGADHM O=C1[C@@H](Sc2ccc(-c3nnn[n-]3)cc2)CCCN1c1ccccc1F ZINC000826477328 608111333 /nfs/dbraw/zinc/11/13/33/608111333.db2.gz ADDRQKJAJCUQEA-INIZCTEOSA-N -1 3 369.425 3.294 20 0 FGADHM O=C1[C@@H](Sc2ccc(-c3nn[n-]n3)cc2)CCCN1c1ccccc1F ZINC000826477328 608111334 /nfs/dbraw/zinc/11/13/34/608111334.db2.gz ADDRQKJAJCUQEA-INIZCTEOSA-N -1 3 369.425 3.294 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NCC1(c2ccccc2Cl)CC1 ZINC000826247487 608116399 /nfs/dbraw/zinc/11/63/99/608116399.db2.gz FEYQONWFJKBGOT-UHFFFAOYSA-N -1 3 367.840 3.290 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NCC1(c2ccccc2Cl)CC1 ZINC000826247487 608116400 /nfs/dbraw/zinc/11/64/00/608116400.db2.gz FEYQONWFJKBGOT-UHFFFAOYSA-N -1 3 367.840 3.290 20 0 FGADHM CC1CCC(CNc2ccc(N3CCC(O)CC3)c(-c3nnn[n-]3)c2)CC1 ZINC000824906776 608121996 /nfs/dbraw/zinc/12/19/96/608121996.db2.gz FBDHXWLPDQRJEZ-UHFFFAOYSA-N -1 3 370.501 3.066 20 0 FGADHM CC1CCC(CNc2ccc(N3CCC(O)CC3)c(-c3nn[n-]n3)c2)CC1 ZINC000824906776 608121997 /nfs/dbraw/zinc/12/19/97/608121997.db2.gz FBDHXWLPDQRJEZ-UHFFFAOYSA-N -1 3 370.501 3.066 20 0 FGADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)O[C@H]1CCOc2c(Cl)cccc21 ZINC000826422169 608128877 /nfs/dbraw/zinc/12/88/77/608128877.db2.gz OQJPHCUZBGMARB-HNNXBMFYSA-N -1 3 370.796 3.130 20 0 FGADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)O[C@H]1CCOc2c(Cl)cccc21 ZINC000826422169 608128878 /nfs/dbraw/zinc/12/88/78/608128878.db2.gz OQJPHCUZBGMARB-HNNXBMFYSA-N -1 3 370.796 3.130 20 0 FGADHM COCCOc1ccc(-c2nnn[n-]2)cc1NCc1cc(C)sc1C ZINC000826162112 608136595 /nfs/dbraw/zinc/13/65/95/608136595.db2.gz NXMPGKNOBQEXIW-UHFFFAOYSA-N -1 3 359.455 3.182 20 0 FGADHM COCCOc1ccc(-c2nn[n-]n2)cc1NCc1cc(C)sc1C ZINC000826162112 608136596 /nfs/dbraw/zinc/13/65/96/608136596.db2.gz NXMPGKNOBQEXIW-UHFFFAOYSA-N -1 3 359.455 3.182 20 0 FGADHM Cc1ccc(CCCOC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1 ZINC000826287322 608147159 /nfs/dbraw/zinc/14/71/59/608147159.db2.gz KHPJIHODSUJUGQ-UHFFFAOYSA-N -1 3 358.348 3.243 20 0 FGADHM Cc1ccc(CCCOC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1 ZINC000826287322 608147160 /nfs/dbraw/zinc/14/71/60/608147160.db2.gz KHPJIHODSUJUGQ-UHFFFAOYSA-N -1 3 358.348 3.243 20 0 FGADHM C[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825019792 608158246 /nfs/dbraw/zinc/15/82/46/608158246.db2.gz GVEJYNMZHIPXJH-SJCJKPOMSA-N -1 3 365.393 3.023 20 0 FGADHM C[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825019792 608158247 /nfs/dbraw/zinc/15/82/47/608158247.db2.gz GVEJYNMZHIPXJH-SJCJKPOMSA-N -1 3 365.393 3.023 20 0 FGADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)c1cc(C)cc(C)c1 ZINC000825793623 608174362 /nfs/dbraw/zinc/17/43/62/608174362.db2.gz YTWWOODPJMDRAU-UHFFFAOYSA-N -1 3 361.409 3.105 20 0 FGADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)c1cc(C)cc(C)c1 ZINC000825793623 608174363 /nfs/dbraw/zinc/17/43/63/608174363.db2.gz YTWWOODPJMDRAU-UHFFFAOYSA-N -1 3 361.409 3.105 20 0 FGADHM Cc1ccc2ncnc(N(Cc3ccc(-c4nnn[n-]4)cc3)C3CC3)c2c1 ZINC000826295655 608181399 /nfs/dbraw/zinc/18/13/99/608181399.db2.gz RPYYFWHMXMGXSI-UHFFFAOYSA-N -1 3 357.421 3.287 20 0 FGADHM Cc1ccc2ncnc(N(Cc3ccc(-c4nn[n-]n4)cc3)C3CC3)c2c1 ZINC000826295655 608181400 /nfs/dbraw/zinc/18/14/00/608181400.db2.gz RPYYFWHMXMGXSI-UHFFFAOYSA-N -1 3 357.421 3.287 20 0 FGADHM Clc1nsc(NCc2nc3cc(Cl)ccc3[nH]2)c1-c1nnn[n-]1 ZINC000826352622 608184551 /nfs/dbraw/zinc/18/45/51/608184551.db2.gz ICJUTYLLYNRPAW-UHFFFAOYSA-N -1 3 367.225 3.118 20 0 FGADHM CC[C@@H](C)[C@@H](O)C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000825061852 608198344 /nfs/dbraw/zinc/19/83/44/608198344.db2.gz ZHMQGEDTQNTGEL-SJKOYZFVSA-N -1 3 367.409 3.005 20 0 FGADHM CC[C@@H](C)[C@@H](O)C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000825061852 608198345 /nfs/dbraw/zinc/19/83/45/608198345.db2.gz ZHMQGEDTQNTGEL-SJKOYZFVSA-N -1 3 367.409 3.005 20 0 FGADHM O=C(CSc1cccc(Cl)c1-c1nnn[n-]1)c1ccc2c(c1)OCO2 ZINC000826420998 608208108 /nfs/dbraw/zinc/20/81/08/608208108.db2.gz MUTARXFWBSLDHN-UHFFFAOYSA-N -1 3 374.809 3.224 20 0 FGADHM O=C(CSc1cccc(Cl)c1-c1nn[n-]n1)c1ccc2c(c1)OCO2 ZINC000826420998 608208109 /nfs/dbraw/zinc/20/81/09/608208109.db2.gz MUTARXFWBSLDHN-UHFFFAOYSA-N -1 3 374.809 3.224 20 0 FGADHM O=C1[C@@H](Nc2ccc(C3CC3)cc2)CCN1c1sccc1-c1nnn[n-]1 ZINC000826477905 608219567 /nfs/dbraw/zinc/21/95/67/608219567.db2.gz PETNQKZIGMJPDC-HNNXBMFYSA-N -1 3 366.450 3.023 20 0 FGADHM O=C1[C@@H](Nc2ccc(C3CC3)cc2)CCN1c1sccc1-c1nn[n-]n1 ZINC000826477905 608219568 /nfs/dbraw/zinc/21/95/68/608219568.db2.gz PETNQKZIGMJPDC-HNNXBMFYSA-N -1 3 366.450 3.023 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)CCCCCCC(C)=O ZINC000825620758 608220293 /nfs/dbraw/zinc/22/02/93/608220293.db2.gz HHDDAVZUJBHMFB-UHFFFAOYSA-N -1 3 359.430 3.134 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)CCCCCCC(C)=O ZINC000825620758 608220295 /nfs/dbraw/zinc/22/02/95/608220295.db2.gz HHDDAVZUJBHMFB-UHFFFAOYSA-N -1 3 359.430 3.134 20 0 FGADHM C[C@@H](Nc1ccc2cc(-c3nnn[n-]3)ccc2n1)c1nc2ccccc2[nH]1 ZINC000824662307 608225016 /nfs/dbraw/zinc/22/50/16/608225016.db2.gz IEYOGNBOKOGPEL-LLVKDONJSA-N -1 3 356.393 3.464 20 0 FGADHM C[C@@H](Nc1ccc2cc(-c3nn[n-]n3)ccc2n1)c1nc2ccccc2[nH]1 ZINC000824662307 608225017 /nfs/dbraw/zinc/22/50/17/608225017.db2.gz IEYOGNBOKOGPEL-LLVKDONJSA-N -1 3 356.393 3.464 20 0 FGADHM COc1cccc2c1OCC[C@@H]2Nc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000826218264 608225693 /nfs/dbraw/zinc/22/56/93/608225693.db2.gz WJBYUKUIADMRIZ-INIZCTEOSA-N -1 3 374.404 3.359 20 0 FGADHM COc1cccc2c1OCC[C@@H]2Nc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000826218264 608225694 /nfs/dbraw/zinc/22/56/94/608225694.db2.gz WJBYUKUIADMRIZ-INIZCTEOSA-N -1 3 374.404 3.359 20 0 FGADHM CCCO[C@H]1CCCN(c2ccc3cc(-c4nnn[n-]4)ccc3n2)CC1 ZINC000825339403 608226715 /nfs/dbraw/zinc/22/67/15/608226715.db2.gz ZDQVFGJKQITSCO-INIZCTEOSA-N -1 3 352.442 3.200 20 0 FGADHM CCCO[C@H]1CCCN(c2ccc3cc(-c4nn[n-]n4)ccc3n2)CC1 ZINC000825339403 608226717 /nfs/dbraw/zinc/22/67/17/608226717.db2.gz ZDQVFGJKQITSCO-INIZCTEOSA-N -1 3 352.442 3.200 20 0 FGADHM CCCn1ncc(C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)c1C1CC1 ZINC000825363348 608228686 /nfs/dbraw/zinc/22/86/86/608228686.db2.gz YRWGOCKJCVNHLI-UHFFFAOYSA-N -1 3 371.832 3.256 20 0 FGADHM CCCn1ncc(C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)c1C1CC1 ZINC000825363348 608228687 /nfs/dbraw/zinc/22/86/87/608228687.db2.gz YRWGOCKJCVNHLI-UHFFFAOYSA-N -1 3 371.832 3.256 20 0 FGADHM O=C(CNc1ccc(C2CC2)cc1)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000826414520 608236720 /nfs/dbraw/zinc/23/67/20/608236720.db2.gz ZWMHBFQWBYTSEB-UHFFFAOYSA-N -1 3 368.828 3.448 20 0 FGADHM O=C(CNc1ccc(C2CC2)cc1)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000826414520 608236722 /nfs/dbraw/zinc/23/67/22/608236722.db2.gz ZWMHBFQWBYTSEB-UHFFFAOYSA-N -1 3 368.828 3.448 20 0 FGADHM CCC1(O)CCC(Nc2ccc(-c3nn[n-]n3)cc2Br)CC1 ZINC000825176061 608238684 /nfs/dbraw/zinc/23/86/84/608238684.db2.gz DSKJSRNTHGLCCW-UHFFFAOYSA-N -1 3 366.263 3.125 20 0 FGADHM CCc1nc2ccccc2n1C1CCN(c2cnccc2-c2nnn[n-]2)CC1 ZINC000825750687 608240983 /nfs/dbraw/zinc/24/09/83/608240983.db2.gz VOBHHQBZEIDZNJ-UHFFFAOYSA-N -1 3 374.452 3.015 20 0 FGADHM CCc1nc2ccccc2n1C1CCN(c2cnccc2-c2nn[n-]n2)CC1 ZINC000825750687 608240986 /nfs/dbraw/zinc/24/09/86/608240986.db2.gz VOBHHQBZEIDZNJ-UHFFFAOYSA-N -1 3 374.452 3.015 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)C=Cc1ccc2[nH]ccc2c1 ZINC000826253402 608248445 /nfs/dbraw/zinc/24/84/45/608248445.db2.gz OLSSBQITSNMIJJ-CLTKARDFSA-N -1 3 359.389 3.413 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)C=Cc1ccc2[nH]ccc2c1 ZINC000826253402 608248446 /nfs/dbraw/zinc/24/84/46/608248446.db2.gz OLSSBQITSNMIJJ-CLTKARDFSA-N -1 3 359.389 3.413 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C(F)(F)c1ccccc1F ZINC000826452274 608266365 /nfs/dbraw/zinc/26/63/65/608266365.db2.gz NKVUPDFMQIJHMX-UHFFFAOYSA-N -1 3 367.718 3.390 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C(F)(F)c1ccccc1F ZINC000826452274 608266366 /nfs/dbraw/zinc/26/63/66/608266366.db2.gz NKVUPDFMQIJHMX-UHFFFAOYSA-N -1 3 367.718 3.390 20 0 FGADHM CSc1cc(C(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)ccc1F ZINC000826229433 608267359 /nfs/dbraw/zinc/26/73/59/608267359.db2.gz DRSXHGVBQRNLBY-SNVBAGLBSA-N -1 3 357.414 3.219 20 0 FGADHM CSc1cc(C(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)ccc1F ZINC000826229433 608267361 /nfs/dbraw/zinc/26/73/61/608267361.db2.gz DRSXHGVBQRNLBY-SNVBAGLBSA-N -1 3 357.414 3.219 20 0 FGADHM Cc1nn(-c2ccccc2)c(CSC2=N[C@H](C)CS2)c1-c1nnn[n-]1 ZINC000826332773 608267767 /nfs/dbraw/zinc/26/77/67/608267767.db2.gz HEMOQFGCGOCVLU-SNVBAGLBSA-N -1 3 371.495 3.085 20 0 FGADHM CC[C@@H]1CC[C@H](C)N1C(=O)CSc1nc(C)c(C)c(C)c1-c1nnn[n-]1 ZINC000825191361 608270820 /nfs/dbraw/zinc/27/08/20/608270820.db2.gz ARVKSGKOKNTXML-IINYFYTJSA-N -1 3 374.514 3.069 20 0 FGADHM CC[C@@H]1CC[C@H](C)N1C(=O)CSc1nc(C)c(C)c(C)c1-c1nn[n-]n1 ZINC000825191361 608270822 /nfs/dbraw/zinc/27/08/22/608270822.db2.gz ARVKSGKOKNTXML-IINYFYTJSA-N -1 3 374.514 3.069 20 0 FGADHM CC[C@H](OC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1cc(C)ccc1OC ZINC000825153730 608272550 /nfs/dbraw/zinc/27/25/50/608272550.db2.gz IXUXCETTYMERRR-KRWDZBQOSA-N -1 3 366.421 3.421 20 0 FGADHM CC[C@H](OC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1cc(C)ccc1OC ZINC000825153730 608272551 /nfs/dbraw/zinc/27/25/51/608272551.db2.gz IXUXCETTYMERRR-KRWDZBQOSA-N -1 3 366.421 3.421 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)c(N[C@@H]2C[C@H]2c2cccc(Br)c2)n1 ZINC000826274785 608281606 /nfs/dbraw/zinc/28/16/06/608281606.db2.gz FDMRJPDOUNTOPO-UONOGXRCSA-N -1 3 371.242 3.301 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)c(N[C@@H]2C[C@H]2c2cccc(Br)c2)n1 ZINC000826274785 608281608 /nfs/dbraw/zinc/28/16/08/608281608.db2.gz FDMRJPDOUNTOPO-UONOGXRCSA-N -1 3 371.242 3.301 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)c(N2CCC(Cc3ccc(F)cc3)CC2)n1 ZINC000826274076 608281651 /nfs/dbraw/zinc/28/16/51/608281651.db2.gz GFNOTFRPIFKBCI-UHFFFAOYSA-N -1 3 352.417 3.168 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)c(N2CCC(Cc3ccc(F)cc3)CC2)n1 ZINC000826274076 608281653 /nfs/dbraw/zinc/28/16/53/608281653.db2.gz GFNOTFRPIFKBCI-UHFFFAOYSA-N -1 3 352.417 3.168 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)c(NCCOc2ccccc2C(F)(F)F)n1 ZINC000826276511 608285431 /nfs/dbraw/zinc/28/54/31/608285431.db2.gz JPDVFYPCFWSUNQ-UHFFFAOYSA-N -1 3 364.331 3.080 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)c(NCCOc2ccccc2C(F)(F)F)n1 ZINC000826276511 608285432 /nfs/dbraw/zinc/28/54/32/608285432.db2.gz JPDVFYPCFWSUNQ-UHFFFAOYSA-N -1 3 364.331 3.080 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)c(NC[C@H](O)c2cc(Cl)cc(Cl)c2)n1 ZINC000826276201 608290131 /nfs/dbraw/zinc/29/01/31/608290131.db2.gz XKDQJQAQDLHJKQ-ZDUSSCGKSA-N -1 3 365.224 3.022 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)c(NC[C@H](O)c2cc(Cl)cc(Cl)c2)n1 ZINC000826276201 608290133 /nfs/dbraw/zinc/29/01/33/608290133.db2.gz XKDQJQAQDLHJKQ-ZDUSSCGKSA-N -1 3 365.224 3.022 20 0 FGADHM Cc1nn(-c2ccccc2)c(CN2CCC[C@H]3CCC[C@@H]32)c1-c1nnn[n-]1 ZINC000826332482 608315559 /nfs/dbraw/zinc/31/55/59/608315559.db2.gz VTQYJLFIJBOZEZ-WBVHZDCISA-N -1 3 363.469 3.125 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)Nc1ccc(-c2ncco2)cc1 ZINC000826402498 608315827 /nfs/dbraw/zinc/31/58/27/608315827.db2.gz VVJWYVYMKVNPNB-JXMROGBWSA-N -1 3 358.361 3.174 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)Nc1ccc(-c2ncco2)cc1 ZINC000826402498 608315829 /nfs/dbraw/zinc/31/58/29/608315829.db2.gz VVJWYVYMKVNPNB-JXMROGBWSA-N -1 3 358.361 3.174 20 0 FGADHM Cc1cc(C)c(CC(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)c(C)c1 ZINC000826263257 608340633 /nfs/dbraw/zinc/34/06/33/608340633.db2.gz RPUJGUYYGFNOCX-UHFFFAOYSA-N -1 3 353.401 3.137 20 0 FGADHM Cc1cc(C)c(CC(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)c(C)c1 ZINC000826263257 608340635 /nfs/dbraw/zinc/34/06/35/608340635.db2.gz RPUJGUYYGFNOCX-UHFFFAOYSA-N -1 3 353.401 3.137 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)c1ccc(Cl)cc1F ZINC000826172552 608346222 /nfs/dbraw/zinc/34/62/22/608346222.db2.gz MIDQGIXJLXMNLH-UHFFFAOYSA-N -1 3 362.748 3.025 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)c1ccc(Cl)cc1F ZINC000826172552 608346224 /nfs/dbraw/zinc/34/62/24/608346224.db2.gz MIDQGIXJLXMNLH-UHFFFAOYSA-N -1 3 362.748 3.025 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)C=C(C)c1ccccc1 ZINC000826171111 608349317 /nfs/dbraw/zinc/34/93/17/608349317.db2.gz CJWKXLMRSSMFOM-RAXLEYEMSA-N -1 3 350.378 3.022 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)C=C(C)c1ccccc1 ZINC000826171111 608349319 /nfs/dbraw/zinc/34/93/19/608349319.db2.gz CJWKXLMRSSMFOM-RAXLEYEMSA-N -1 3 350.378 3.022 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)C(C)(C)c1ccc(C)cc1 ZINC000826170879 608350924 /nfs/dbraw/zinc/35/09/24/608350924.db2.gz SLTYBBXQIXHZOW-UHFFFAOYSA-N -1 3 366.421 3.205 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)C(C)(C)c1ccc(C)cc1 ZINC000826170879 608350925 /nfs/dbraw/zinc/35/09/25/608350925.db2.gz SLTYBBXQIXHZOW-UHFFFAOYSA-N -1 3 366.421 3.205 20 0 FGADHM CCc1nc(C)c([C@@H](C)N(C)Cc2ccc(-c3nn[n-]n3)cc2OC)s1 ZINC000825746453 608364517 /nfs/dbraw/zinc/36/45/17/608364517.db2.gz UYSGVXSCVANCCD-GFCCVEGCSA-N -1 3 372.498 3.396 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1CN[C@H](c1ccccc1)c1ccccn1 ZINC000826169761 608370909 /nfs/dbraw/zinc/37/09/09/608370909.db2.gz CWUUVJXBMXBHKT-HXUWFJFHSA-N -1 3 372.432 3.150 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1CN[C@H](c1ccccc1)c1ccccn1 ZINC000826169761 608370911 /nfs/dbraw/zinc/37/09/11/608370911.db2.gz CWUUVJXBMXBHKT-HXUWFJFHSA-N -1 3 372.432 3.150 20 0 FGADHM C[C@@H]1CCC[C@H](NC(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)C1 ZINC000824927085 608396788 /nfs/dbraw/zinc/39/67/88/608396788.db2.gz MDOQQLRABZJUKN-KDOFPFPSSA-N -1 3 366.469 3.244 20 0 FGADHM C[C@@H]1CCC[C@H](NC(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC000824927085 608396790 /nfs/dbraw/zinc/39/67/90/608396790.db2.gz MDOQQLRABZJUKN-KDOFPFPSSA-N -1 3 366.469 3.244 20 0 FGADHM Cc1ccc([C@H](C)NCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)cc1 ZINC000826283416 608431272 /nfs/dbraw/zinc/43/12/72/608431272.db2.gz QLVXYUZHYGNUBJ-ZDUSSCGKSA-N -1 3 361.409 3.076 20 0 FGADHM Cc1ccc([C@H](C)NCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)cc1 ZINC000826283416 608431274 /nfs/dbraw/zinc/43/12/74/608431274.db2.gz QLVXYUZHYGNUBJ-ZDUSSCGKSA-N -1 3 361.409 3.076 20 0 FGADHM CCOc1ccc(CCC(=O)OCc2cccc(-c3nnn[n-]3)c2F)cc1 ZINC000825638640 608444864 /nfs/dbraw/zinc/44/48/64/608444864.db2.gz MQHXJUUUZPUJPX-UHFFFAOYSA-N -1 3 370.384 3.081 20 0 FGADHM CCOc1ccc(CCC(=O)OCc2cccc(-c3nn[n-]n3)c2F)cc1 ZINC000825638640 608444866 /nfs/dbraw/zinc/44/48/66/608444866.db2.gz MQHXJUUUZPUJPX-UHFFFAOYSA-N -1 3 370.384 3.081 20 0 FGADHM CC(C)=CCOC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000824177744 608475557 /nfs/dbraw/zinc/47/55/57/608475557.db2.gz JUFBTYUVUZGHPH-UHFFFAOYSA-N -1 3 351.366 3.177 20 0 FGADHM CC(C)=CCOC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000824177744 608475559 /nfs/dbraw/zinc/47/55/59/608475559.db2.gz JUFBTYUVUZGHPH-UHFFFAOYSA-N -1 3 351.366 3.177 20 0 FGADHM O=C(C1CCCCCC1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826399085 608480513 /nfs/dbraw/zinc/48/05/13/608480513.db2.gz MRGZVDSHGPUYJT-UHFFFAOYSA-N -1 3 351.454 3.453 20 0 FGADHM O=C(C1CCCCCC1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826399085 608480514 /nfs/dbraw/zinc/48/05/14/608480514.db2.gz MRGZVDSHGPUYJT-UHFFFAOYSA-N -1 3 351.454 3.453 20 0 FGADHM CCCCSCCC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000825296554 608482996 /nfs/dbraw/zinc/48/29/96/608482996.db2.gz OBKKJRVHTUPWCH-UHFFFAOYSA-N -1 3 371.510 3.406 20 0 FGADHM CCCCSCCC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825296554 608482997 /nfs/dbraw/zinc/48/29/97/608482997.db2.gz OBKKJRVHTUPWCH-UHFFFAOYSA-N -1 3 371.510 3.406 20 0 FGADHM O=C(c1ccc2c(c1)CCC2)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826473896 608487302 /nfs/dbraw/zinc/48/73/02/608487302.db2.gz SGUALHFXFMEFGI-UHFFFAOYSA-N -1 3 371.444 3.285 20 0 FGADHM O=C(c1ccc2c(c1)CCC2)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826473896 608487303 /nfs/dbraw/zinc/48/73/03/608487303.db2.gz SGUALHFXFMEFGI-UHFFFAOYSA-N -1 3 371.444 3.285 20 0 FGADHM CCCN(CC(=O)Nc1ccccc1C)Cc1cc(-c2nnn[n-]2)cs1 ZINC000825307565 608500067 /nfs/dbraw/zinc/50/00/67/608500067.db2.gz FLMZPVXYRPNUGJ-UHFFFAOYSA-N -1 3 370.482 3.087 20 0 FGADHM CCCN(CC(=O)Nc1ccccc1C)Cc1cc(-c2nn[n-]n2)cs1 ZINC000825307565 608500069 /nfs/dbraw/zinc/50/00/69/608500069.db2.gz FLMZPVXYRPNUGJ-UHFFFAOYSA-N -1 3 370.482 3.087 20 0 FGADHM CCc1ccnc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CC[C@H](C)C3)c1 ZINC000825728582 608539735 /nfs/dbraw/zinc/53/97/35/608539735.db2.gz QQPVUZVPKNQTFY-JTQLQIEISA-N -1 3 368.466 3.263 20 0 FGADHM CCc1ccnc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CC[C@H](C)C3)c1 ZINC000825728582 608539736 /nfs/dbraw/zinc/53/97/36/608539736.db2.gz QQPVUZVPKNQTFY-JTQLQIEISA-N -1 3 368.466 3.263 20 0 FGADHM O=C(Nc1nc2c(cc1-c1nnn[n-]1)CCCC2)c1ccccc1Cl ZINC000826460327 608573096 /nfs/dbraw/zinc/57/30/96/608573096.db2.gz XVEHZSKZTFGBTM-UHFFFAOYSA-N -1 3 354.801 3.046 20 0 FGADHM O=C(Nc1nc2c(cc1-c1nn[n-]n1)CCCC2)c1ccccc1Cl ZINC000826460327 608573097 /nfs/dbraw/zinc/57/30/97/608573097.db2.gz XVEHZSKZTFGBTM-UHFFFAOYSA-N -1 3 354.801 3.046 20 0 FGADHM CCN(C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)c1ccc(F)c(F)c1 ZINC000825379913 608574984 /nfs/dbraw/zinc/57/49/84/608574984.db2.gz MCAKWQNLJSJEDR-UHFFFAOYSA-N -1 3 363.755 3.465 20 0 FGADHM CCN(C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)c1ccc(F)c(F)c1 ZINC000825379913 608574986 /nfs/dbraw/zinc/57/49/86/608574986.db2.gz MCAKWQNLJSJEDR-UHFFFAOYSA-N -1 3 363.755 3.465 20 0 FGADHM O=C(NC1(c2nccs2)CCCC1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826428765 608577500 /nfs/dbraw/zinc/57/75/00/608577500.db2.gz KVCXGMNWQADVCR-UHFFFAOYSA-N -1 3 374.857 3.176 20 0 FGADHM O=C(NC1(c2nccs2)CCCC1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826428765 608577501 /nfs/dbraw/zinc/57/75/01/608577501.db2.gz KVCXGMNWQADVCR-UHFFFAOYSA-N -1 3 374.857 3.176 20 0 FGADHM CSc1ccc(C)c(N[C@H](C)C(=O)Nc2ccccc2-c2nnn[n-]2)c1 ZINC000826230217 608581175 /nfs/dbraw/zinc/58/11/75/608581175.db2.gz JXKGUVJNZFDPDT-GFCCVEGCSA-N -1 3 368.466 3.336 20 0 FGADHM CSc1ccc(C)c(N[C@H](C)C(=O)Nc2ccccc2-c2nn[n-]n2)c1 ZINC000826230217 608581178 /nfs/dbraw/zinc/58/11/78/608581178.db2.gz JXKGUVJNZFDPDT-GFCCVEGCSA-N -1 3 368.466 3.336 20 0 FGADHM CCCOc1ccc(NC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC)cc1 ZINC000825339248 608600405 /nfs/dbraw/zinc/60/04/05/608600405.db2.gz TZCWZLXGSXTRNG-UHFFFAOYSA-N -1 3 368.397 3.308 20 0 FGADHM CCCOc1ccc(NC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC)cc1 ZINC000825339248 608600407 /nfs/dbraw/zinc/60/04/07/608600407.db2.gz TZCWZLXGSXTRNG-UHFFFAOYSA-N -1 3 368.397 3.308 20 0 FGADHM Fc1c(CN(Cc2cccs2)C[C@@H]2CCCO2)cccc1-c1nnn[n-]1 ZINC000826370137 608645653 /nfs/dbraw/zinc/64/56/53/608645653.db2.gz FNQZNBQXDQZSTH-AWEZNQCLSA-N -1 3 373.457 3.249 20 0 FGADHM Fc1c(CN(Cc2cccs2)C[C@@H]2CCCO2)cccc1-c1nn[n-]n1 ZINC000826370137 608645656 /nfs/dbraw/zinc/64/56/56/608645656.db2.gz FNQZNBQXDQZSTH-AWEZNQCLSA-N -1 3 373.457 3.249 20 0 FGADHM Fc1c(CN2CCn3cccc3[C@@H]2c2ccccc2)cccc1-c1nnn[n-]1 ZINC000826370789 608651999 /nfs/dbraw/zinc/65/19/99/608651999.db2.gz HJOVLDRCLAHFHK-FQEVSTJZSA-N -1 3 374.423 3.413 20 0 FGADHM Fc1c(CN2CCn3cccc3[C@@H]2c2ccccc2)cccc1-c1nn[n-]n1 ZINC000826370789 608652001 /nfs/dbraw/zinc/65/20/01/608652001.db2.gz HJOVLDRCLAHFHK-FQEVSTJZSA-N -1 3 374.423 3.413 20 0 FGADHM C[C@@H](Nc1cnccc1-c1nnn[n-]1)c1nc2ccccc2n1C(F)F ZINC000824662552 608768187 /nfs/dbraw/zinc/76/81/87/608768187.db2.gz MSSOPIKVPZHIKV-SECBINFHSA-N -1 3 356.340 3.180 20 0 FGADHM C[C@@H](Nc1cnccc1-c1nn[n-]n1)c1nc2ccccc2n1C(F)F ZINC000824662552 608768189 /nfs/dbraw/zinc/76/81/89/608768189.db2.gz MSSOPIKVPZHIKV-SECBINFHSA-N -1 3 356.340 3.180 20 0 FGADHM C[C@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825011934 608825055 /nfs/dbraw/zinc/82/50/55/608825055.db2.gz AMRKTPKLXTUYGM-RYUDHWBXSA-N -1 3 351.385 3.154 20 0 FGADHM C[C@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825011934 608825058 /nfs/dbraw/zinc/82/50/58/608825058.db2.gz AMRKTPKLXTUYGM-RYUDHWBXSA-N -1 3 351.385 3.154 20 0 FGADHM COc1cc(Cl)c(C)cc1NCc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000826180239 608860496 /nfs/dbraw/zinc/86/04/96/608860496.db2.gz YZWGBTJZYMWBSZ-UHFFFAOYSA-N -1 3 369.816 3.097 20 0 FGADHM COc1cc(Cl)c(C)cc1NCc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000826180239 608860500 /nfs/dbraw/zinc/86/05/00/608860500.db2.gz YZWGBTJZYMWBSZ-UHFFFAOYSA-N -1 3 369.816 3.097 20 0 FGADHM Cc1nn(-c2ccc(F)cc2)c(C)c1CNc1cccc(-c2nnn[n-]2)c1 ZINC000826332485 608868851 /nfs/dbraw/zinc/86/88/51/608868851.db2.gz VVLSYWFMNOMIAP-UHFFFAOYSA-N -1 3 363.400 3.420 20 0 FGADHM Cc1nn(-c2ccc(F)cc2)c(C)c1CNc1cccc(-c2nn[n-]n2)c1 ZINC000826332485 608868852 /nfs/dbraw/zinc/86/88/52/608868852.db2.gz VVLSYWFMNOMIAP-UHFFFAOYSA-N -1 3 363.400 3.420 20 0 FGADHM CCCC(=CC(=O)N(CCOC)Cc1ccc(-c2nnn[n-]2)cc1)CCC ZINC000825218562 608887818 /nfs/dbraw/zinc/88/78/18/608887818.db2.gz DMPDJMPDDCYFOC-UHFFFAOYSA-N -1 3 371.485 3.368 20 0 FGADHM CCCC(=CC(=O)N(CCOC)Cc1ccc(-c2nn[n-]n2)cc1)CCC ZINC000825218562 608887819 /nfs/dbraw/zinc/88/78/19/608887819.db2.gz DMPDJMPDDCYFOC-UHFFFAOYSA-N -1 3 371.485 3.368 20 0 FGADHM O=C(c1sccc1-c1nnn[n-]1)N1CCC[C@H]1/C=C\c1ccccc1 ZINC000826475575 609138613 /nfs/dbraw/zinc/13/86/13/609138613.db2.gz KGGMAYMCIZCKSH-CKXPSTMWSA-N -1 3 351.435 3.246 20 0 FGADHM O=C(c1sccc1-c1nn[n-]n1)N1CCC[C@H]1/C=C\c1ccccc1 ZINC000826475575 609138614 /nfs/dbraw/zinc/13/86/14/609138614.db2.gz KGGMAYMCIZCKSH-CKXPSTMWSA-N -1 3 351.435 3.246 20 0 FGADHM O=C(Nc1ccc2cccc(Cl)c2n1)c1cccc(-c2nnn[n-]2)c1 ZINC000826455863 609139963 /nfs/dbraw/zinc/13/99/63/609139963.db2.gz HFNLIYMRFUGMTL-UHFFFAOYSA-N -1 3 350.769 3.321 20 0 FGADHM O=C(Nc1ccc2cccc(Cl)c2n1)c1cccc(-c2nn[n-]n2)c1 ZINC000826455863 609139965 /nfs/dbraw/zinc/13/99/65/609139965.db2.gz HFNLIYMRFUGMTL-UHFFFAOYSA-N -1 3 350.769 3.321 20 0 FGADHM C[C@@H](N[C@@H]1COc2c1cccc2Cl)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824553507 609152793 /nfs/dbraw/zinc/15/27/93/609152793.db2.gz BZXWCEDFCHROMA-RFAUZJTJSA-N -1 3 359.792 3.444 20 0 FGADHM C[C@@H](N[C@@H]1COc2c1cccc2Cl)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824553507 609152795 /nfs/dbraw/zinc/15/27/95/609152795.db2.gz BZXWCEDFCHROMA-RFAUZJTJSA-N -1 3 359.792 3.444 20 0 FGADHM COc1cc(N[C@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)cc(OC)c1OC ZINC000826180809 609161078 /nfs/dbraw/zinc/16/10/78/609161078.db2.gz XVWXCVWHLIATNY-SNVBAGLBSA-N -1 3 373.388 3.205 20 0 FGADHM COc1cc(N[C@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)cc(OC)c1OC ZINC000826180809 609161079 /nfs/dbraw/zinc/16/10/79/609161079.db2.gz XVWXCVWHLIATNY-SNVBAGLBSA-N -1 3 373.388 3.205 20 0 FGADHM Cc1nc(C)c(-c2nnn[n-]2)c(SCc2ncc(Cl)cc2Cl)n1 ZINC000826324569 609175029 /nfs/dbraw/zinc/17/50/29/609175029.db2.gz WTKGBQPRPVBJPN-UHFFFAOYSA-N -1 3 368.253 3.268 20 0 FGADHM Cc1cc(C)cc(CCC(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000826264730 609182383 /nfs/dbraw/zinc/18/23/83/609182383.db2.gz YEHVZKMJXHWRHL-UHFFFAOYSA-N -1 3 353.401 3.218 20 0 FGADHM Cc1cc(C)cc(CCC(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000826264730 609182385 /nfs/dbraw/zinc/18/23/85/609182385.db2.gz YEHVZKMJXHWRHL-UHFFFAOYSA-N -1 3 353.401 3.218 20 0 FGADHM O=C(NCC1(c2ccc(Cl)cc2)CCCC1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826434481 609201613 /nfs/dbraw/zinc/20/16/13/609201613.db2.gz OCBAJHRIOBECSW-UHFFFAOYSA-N -1 3 370.844 3.090 20 0 FGADHM O=C(NCC1(c2ccc(Cl)cc2)CCCC1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826434481 609201614 /nfs/dbraw/zinc/20/16/14/609201614.db2.gz OCBAJHRIOBECSW-UHFFFAOYSA-N -1 3 370.844 3.090 20 0 FGADHM CC(C)CCOc1ccc([C@H](C)NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)cc1 ZINC000824249208 609204836 /nfs/dbraw/zinc/20/48/36/609204836.db2.gz KPQRWWZYKVDSPJ-ZDUSSCGKSA-N -1 3 368.441 3.111 20 0 FGADHM CC(C)CCOc1ccc([C@H](C)NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)cc1 ZINC000824249208 609204838 /nfs/dbraw/zinc/20/48/38/609204838.db2.gz KPQRWWZYKVDSPJ-ZDUSSCGKSA-N -1 3 368.441 3.111 20 0 FGADHM C[C@H](c1ccccc1)N(CC1CCC1)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000824771191 609216975 /nfs/dbraw/zinc/21/69/75/609216975.db2.gz QOCRJGZCKFGBSO-CYBMUJFWSA-N -1 3 350.426 3.198 20 0 FGADHM C[C@H](c1ccccc1)N(CC1CCC1)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000824771191 609216976 /nfs/dbraw/zinc/21/69/76/609216976.db2.gz QOCRJGZCKFGBSO-CYBMUJFWSA-N -1 3 350.426 3.198 20 0 FGADHM CC[C@H](C)Oc1cc(C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)ccn1 ZINC000825075293 609234186 /nfs/dbraw/zinc/23/41/86/609234186.db2.gz OJJWQWHUWWKEGU-QWHCGFSZSA-N -1 3 367.409 3.357 20 0 FGADHM CC[C@H](C)Oc1cc(C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)ccn1 ZINC000825075293 609234187 /nfs/dbraw/zinc/23/41/87/609234187.db2.gz OJJWQWHUWWKEGU-QWHCGFSZSA-N -1 3 367.409 3.357 20 0 FGADHM C[C@@H](Nc1ccc(O[C@H]2CCOC2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824657576 609237141 /nfs/dbraw/zinc/23/71/41/609237141.db2.gz RJVJNCOBOKBLPJ-ACJLOTCBSA-N -1 3 351.410 3.208 20 0 FGADHM C[C@@H](Nc1ccc(O[C@H]2CCOC2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824657576 609237143 /nfs/dbraw/zinc/23/71/43/609237143.db2.gz RJVJNCOBOKBLPJ-ACJLOTCBSA-N -1 3 351.410 3.208 20 0 FGADHM COc1ccc(N[C@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)c(OC)c1OC ZINC000826209782 609247820 /nfs/dbraw/zinc/24/78/20/609247820.db2.gz PZGRAYFLFKZAIJ-SNVBAGLBSA-N -1 3 373.388 3.205 20 0 FGADHM COc1ccc(N[C@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)c(OC)c1OC ZINC000826209782 609247822 /nfs/dbraw/zinc/24/78/22/609247822.db2.gz PZGRAYFLFKZAIJ-SNVBAGLBSA-N -1 3 373.388 3.205 20 0 FGADHM CCN(CC)c1ccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)cn1 ZINC000825418126 609251588 /nfs/dbraw/zinc/25/15/88/609251588.db2.gz XMTYWIBEHDSZLQ-LBPRGKRZSA-N -1 3 355.421 3.420 20 0 FGADHM CCN(CC)c1ccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)cn1 ZINC000825418126 609251591 /nfs/dbraw/zinc/25/15/91/609251591.db2.gz XMTYWIBEHDSZLQ-LBPRGKRZSA-N -1 3 355.421 3.420 20 0 FGADHM C[C@@H](Nc1ccc(OCC(F)(F)F)nc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824656260 609251632 /nfs/dbraw/zinc/25/16/32/609251632.db2.gz JWJADHMHZBZZSB-SNVBAGLBSA-N -1 3 364.331 3.376 20 0 FGADHM C[C@@H](Nc1ccc(OCC(F)(F)F)nc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824656260 609251633 /nfs/dbraw/zinc/25/16/33/609251633.db2.gz JWJADHMHZBZZSB-SNVBAGLBSA-N -1 3 364.331 3.376 20 0 FGADHM C[C@@H](Nc1ccc(N2CCOC[C@@H]2C)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824658584 609279426 /nfs/dbraw/zinc/27/94/26/609279426.db2.gz YNGDRTZVGDYIHP-LSDHHAIUSA-N -1 3 364.453 3.265 20 0 FGADHM C[C@@H](Nc1ccc(N2CCOC[C@@H]2C)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824658584 609279428 /nfs/dbraw/zinc/27/94/28/609279428.db2.gz YNGDRTZVGDYIHP-LSDHHAIUSA-N -1 3 364.453 3.265 20 0 FGADHM COCc1cccc(OCC2(Cn3cc(C)c(-c4nnn[n-]4)c3)CCC2)c1 ZINC000826164784 609280805 /nfs/dbraw/zinc/28/08/05/609280805.db2.gz PZWRIOCDDCKQGZ-UHFFFAOYSA-N -1 3 367.453 3.372 20 0 FGADHM COCc1cccc(OCC2(Cn3cc(C)c(-c4nn[n-]n4)c3)CCC2)c1 ZINC000826164784 609280807 /nfs/dbraw/zinc/28/08/07/609280807.db2.gz PZWRIOCDDCKQGZ-UHFFFAOYSA-N -1 3 367.453 3.372 20 0 FGADHM Cc1cc(Cl)c(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1C ZINC000826267615 609282921 /nfs/dbraw/zinc/28/29/21/609282921.db2.gz NDFOOKXZUHGKRZ-UHFFFAOYSA-N -1 3 359.792 3.206 20 0 FGADHM Cc1cc(Cl)c(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1C ZINC000826267615 609282922 /nfs/dbraw/zinc/28/29/22/609282922.db2.gz NDFOOKXZUHGKRZ-UHFFFAOYSA-N -1 3 359.792 3.206 20 0 FGADHM Cc1ccccc1OCCCSc1nnc(C)c(C)c1-c1nnn[n-]1 ZINC000826307631 609305838 /nfs/dbraw/zinc/30/58/38/609305838.db2.gz QDIIPRJAVRBNMQ-UHFFFAOYSA-N -1 3 356.455 3.143 20 0 FGADHM Cc1ccccc1OCCCSc1nnc(C)c(C)c1-c1nn[n-]n1 ZINC000826307631 609305839 /nfs/dbraw/zinc/30/58/39/609305839.db2.gz QDIIPRJAVRBNMQ-UHFFFAOYSA-N -1 3 356.455 3.143 20 0 FGADHM Cc1c2c(nc(SCc3ccc4c(c3)COC4)c1-c1nnn[n-]1)CCC2 ZINC000826243190 609308108 /nfs/dbraw/zinc/30/81/08/609308108.db2.gz XZVRJRITFZQMOR-UHFFFAOYSA-N -1 3 365.462 3.381 20 0 FGADHM Cc1c2c(nc(SCc3ccc4c(c3)COC4)c1-c1nn[n-]n1)CCC2 ZINC000826243190 609308110 /nfs/dbraw/zinc/30/81/10/609308110.db2.gz XZVRJRITFZQMOR-UHFFFAOYSA-N -1 3 365.462 3.381 20 0 FGADHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(N(C)C[C@@H]3CCCC[C@H]3O)c2c1 ZINC000826263705 609324814 /nfs/dbraw/zinc/32/48/14/609324814.db2.gz MXJHDVABZWUKGA-WMLDXEAASA-N -1 3 366.469 3.019 20 0 FGADHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(N(C)C[C@@H]3CCCC[C@H]3O)c2c1 ZINC000826263705 609324817 /nfs/dbraw/zinc/32/48/17/609324817.db2.gz MXJHDVABZWUKGA-WMLDXEAASA-N -1 3 366.469 3.019 20 0 FGADHM Cc1cc(CSCc2ccc(-c3nnn[n-]3)cc2Br)on1 ZINC000826267742 609329323 /nfs/dbraw/zinc/32/93/23/609329323.db2.gz UEHHJMSWHHDYLH-UHFFFAOYSA-N -1 3 366.244 3.359 20 0 FGADHM Cc1cc(CSCc2ccc(-c3nn[n-]n3)cc2Br)on1 ZINC000826267742 609329324 /nfs/dbraw/zinc/32/93/24/609329324.db2.gz UEHHJMSWHHDYLH-UHFFFAOYSA-N -1 3 366.244 3.359 20 0 FGADHM c1cc(CSCCOc2ccc(-c3nn[n-]n3)cc2)cc2c1COC2 ZINC000826518519 609330259 /nfs/dbraw/zinc/33/02/59/609330259.db2.gz QEEWKTUZWAOAQO-UHFFFAOYSA-N -1 3 354.435 3.209 20 0 FGADHM CCc1cc(NC(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)ccc1C ZINC000825700458 609331101 /nfs/dbraw/zinc/33/11/01/609331101.db2.gz GJCUTNYWGUBJMR-ZDUSSCGKSA-N -1 3 351.410 3.144 20 0 FGADHM COCCOc1cccc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000826163497 609346197 /nfs/dbraw/zinc/34/61/97/609346197.db2.gz XGRWOSSKZGAPIW-GFCCVEGCSA-N -1 3 357.389 3.204 20 0 FGADHM COCCOc1cccc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000826163497 609346198 /nfs/dbraw/zinc/34/61/98/609346198.db2.gz XGRWOSSKZGAPIW-GFCCVEGCSA-N -1 3 357.389 3.204 20 0 FGADHM CCc1c(C)sc(NC(=O)C[C@H]2CCO[C@H](CC)C2)c1-c1nnn[n-]1 ZINC000825686938 609382615 /nfs/dbraw/zinc/38/26/15/609382615.db2.gz CEMFRCIZNWNVKL-NWDGAFQWSA-N -1 3 363.487 3.333 20 0 FGADHM CCc1c(C)sc(NC(=O)C[C@H]2CCO[C@H](CC)C2)c1-c1nn[n-]n1 ZINC000825686938 609382617 /nfs/dbraw/zinc/38/26/17/609382617.db2.gz CEMFRCIZNWNVKL-NWDGAFQWSA-N -1 3 363.487 3.333 20 0 FGADHM CC[C@@H](C)n1nc(C(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1C ZINC000825081976 609385689 /nfs/dbraw/zinc/38/56/89/609385689.db2.gz OTUANHFJZVABFX-DGCLKSJQSA-N -1 3 354.414 3.261 20 0 FGADHM CC[C@@H](C)n1nc(C(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1C ZINC000825081976 609385692 /nfs/dbraw/zinc/38/56/92/609385692.db2.gz OTUANHFJZVABFX-DGCLKSJQSA-N -1 3 354.414 3.261 20 0 FGADHM CC(C)[C@@H](CSc1ccccc1)OC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000824191005 609387560 /nfs/dbraw/zinc/38/75/60/609387560.db2.gz CFVSOHRMUUKHJA-MRXNPFEDSA-N -1 3 371.466 3.179 20 0 FGADHM CC(C)[C@@H](CSc1ccccc1)OC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000824191005 609387562 /nfs/dbraw/zinc/38/75/62/609387562.db2.gz CFVSOHRMUUKHJA-MRXNPFEDSA-N -1 3 371.466 3.179 20 0 FGADHM O=C(NC1CCC(c2ccc(F)cc2)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000826429405 609408990 /nfs/dbraw/zinc/40/89/90/609408990.db2.gz BOKXVMVPYHFBRT-UHFFFAOYSA-N -1 3 365.412 3.462 20 0 FGADHM O=C(NC1CCC(c2ccc(F)cc2)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000826429405 609408992 /nfs/dbraw/zinc/40/89/92/609408992.db2.gz BOKXVMVPYHFBRT-UHFFFAOYSA-N -1 3 365.412 3.462 20 0 FGADHM CCc1csc([C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3F)C2)n1 ZINC000825740343 609425057 /nfs/dbraw/zinc/42/50/57/609425057.db2.gz SEIUSSTVGMABLA-LBPRGKRZSA-N -1 3 358.446 3.409 20 0 FGADHM C[C@H](CSc1cc(-c2nnn[n-]2)ccn1)C(=O)c1ccc(F)c(F)c1 ZINC000824448485 609434248 /nfs/dbraw/zinc/43/42/48/609434248.db2.gz ILVRQIADIPUECG-SECBINFHSA-N -1 3 361.377 3.151 20 0 FGADHM C[C@H](CSc1cc(-c2nn[n-]n2)ccn1)C(=O)c1ccc(F)c(F)c1 ZINC000824448485 609434250 /nfs/dbraw/zinc/43/42/50/609434250.db2.gz ILVRQIADIPUECG-SECBINFHSA-N -1 3 361.377 3.151 20 0 FGADHM Cl/C=C(/Cl)CNc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000826350212 609446468 /nfs/dbraw/zinc/44/64/68/609446468.db2.gz MILZXWQGEVGJPT-RMKNXTFCSA-N -1 3 370.631 3.437 20 0 FGADHM Cl/C=C(/Cl)CNc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000826350212 609446470 /nfs/dbraw/zinc/44/64/70/609446470.db2.gz MILZXWQGEVGJPT-RMKNXTFCSA-N -1 3 370.631 3.437 20 0 FGADHM Cc1nc(CNc2ccn(-c3ccc(-c4nn[n-]n4)cc3Cl)n2)cs1 ZINC000826326329 609446568 /nfs/dbraw/zinc/44/65/68/609446568.db2.gz KRVDFJCCPAEBTP-UHFFFAOYSA-N -1 3 372.845 3.083 20 0 FGADHM CN(Cc1ccccc1C(F)(F)F)c1nc2ccccn2c1-c1nnn[n-]1 ZINC000825980522 609459157 /nfs/dbraw/zinc/45/91/57/609459157.db2.gz CFJJDDOGIGQVPQ-UHFFFAOYSA-N -1 3 373.342 3.170 20 0 FGADHM CN(Cc1ccccc1C(F)(F)F)c1nc2ccccn2c1-c1nn[n-]n1 ZINC000825980522 609459158 /nfs/dbraw/zinc/45/91/58/609459158.db2.gz CFJJDDOGIGQVPQ-UHFFFAOYSA-N -1 3 373.342 3.170 20 0 FGADHM CCCOCc1ccccc1CNc1nc2ccccn2c1-c1nnn[n-]1 ZINC000825339277 609460979 /nfs/dbraw/zinc/46/09/79/609460979.db2.gz VERYMNJGAREBGA-UHFFFAOYSA-N -1 3 363.425 3.053 20 0 FGADHM CCCOCc1ccccc1CNc1nc2ccccn2c1-c1nn[n-]n1 ZINC000825339277 609460981 /nfs/dbraw/zinc/46/09/81/609460981.db2.gz VERYMNJGAREBGA-UHFFFAOYSA-N -1 3 363.425 3.053 20 0 FGADHM CCOc1cccc(CNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)n1 ZINC000825649333 609478450 /nfs/dbraw/zinc/47/84/50/609478450.db2.gz OYQNIMMPCUTFGA-UHFFFAOYSA-N -1 3 364.331 3.291 20 0 FGADHM CCOc1cccc(CNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)n1 ZINC000825649333 609478452 /nfs/dbraw/zinc/47/84/52/609478452.db2.gz OYQNIMMPCUTFGA-UHFFFAOYSA-N -1 3 364.331 3.291 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1c(C)noc1C1CC1 ZINC000825318887 609479803 /nfs/dbraw/zinc/47/98/03/609479803.db2.gz TVLPNCPUMGYMNK-UHFFFAOYSA-N -1 3 366.425 3.093 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1c(C)noc1C1CC1 ZINC000825318887 609479806 /nfs/dbraw/zinc/47/98/06/609479806.db2.gz TVLPNCPUMGYMNK-UHFFFAOYSA-N -1 3 366.425 3.093 20 0 FGADHM Cc1cnn(-c2ccc(C)cc2NCc2cccc(-c3nnn[n-]3)c2F)c1 ZINC000826280768 609482148 /nfs/dbraw/zinc/48/21/48/609482148.db2.gz OSVWSAANXVZSGQ-UHFFFAOYSA-N -1 3 363.400 3.420 20 0 FGADHM Cc1cnn(-c2ccc(C)cc2NCc2cccc(-c3nn[n-]n3)c2F)c1 ZINC000826280768 609482151 /nfs/dbraw/zinc/48/21/51/609482151.db2.gz OSVWSAANXVZSGQ-UHFFFAOYSA-N -1 3 363.400 3.420 20 0 FGADHM COCCOc1ccc(-c2nnn[n-]2)cc1NCCCCC(F)(F)F ZINC000826161882 609485351 /nfs/dbraw/zinc/48/53/51/609485351.db2.gz DCRMADIFPVLQGH-UHFFFAOYSA-N -1 3 359.352 3.036 20 0 FGADHM COCCOc1ccc(-c2nn[n-]n2)cc1NCCCCC(F)(F)F ZINC000826161882 609485352 /nfs/dbraw/zinc/48/53/52/609485352.db2.gz DCRMADIFPVLQGH-UHFFFAOYSA-N -1 3 359.352 3.036 20 0 FGADHM COc1cc(CNc2cccc(-c3nnn[n-]3)c2C)cc(Cl)c1OC ZINC000826179355 609485427 /nfs/dbraw/zinc/48/54/27/609485427.db2.gz LNVMKPMJORYHHH-UHFFFAOYSA-N -1 3 359.817 3.458 20 0 FGADHM COc1cc(CNc2cccc(-c3nn[n-]n3)c2C)cc(Cl)c1OC ZINC000826179355 609485429 /nfs/dbraw/zinc/48/54/29/609485429.db2.gz LNVMKPMJORYHHH-UHFFFAOYSA-N -1 3 359.817 3.458 20 0 FGADHM CCOC(=O)Nc1ccc(NCc2cc(F)ccc2F)cc1-c1nnn[n-]1 ZINC000825553806 609488685 /nfs/dbraw/zinc/48/86/85/609488685.db2.gz XMTNBQSWSCLDQX-UHFFFAOYSA-N -1 3 374.351 3.325 20 0 FGADHM CCOC(=O)Nc1ccc(NCc2cc(F)ccc2F)cc1-c1nn[n-]n1 ZINC000825553806 609488688 /nfs/dbraw/zinc/48/86/88/609488688.db2.gz XMTNBQSWSCLDQX-UHFFFAOYSA-N -1 3 374.351 3.325 20 0 FGADHM COCc1ccc(CNc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)cc1 ZINC000826164946 609493212 /nfs/dbraw/zinc/49/32/12/609493212.db2.gz YHHJYPUQZXERRA-UHFFFAOYSA-N -1 3 353.426 3.412 20 0 FGADHM COCc1ccc(CNc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)cc1 ZINC000826164946 609493215 /nfs/dbraw/zinc/49/32/15/609493215.db2.gz YHHJYPUQZXERRA-UHFFFAOYSA-N -1 3 353.426 3.412 20 0 FGADHM Cc1c(Cl)cnc(N(C)Cc2ccc(F)c(F)c2)c1-c1nnn[n-]1 ZINC000826236905 609528912 /nfs/dbraw/zinc/52/89/12/609528912.db2.gz GWQMLOWMTXCTMW-UHFFFAOYSA-N -1 3 350.760 3.138 20 0 FGADHM Cc1c(Cl)cnc(N(C)Cc2ccc(F)c(F)c2)c1-c1nn[n-]n1 ZINC000826236905 609528915 /nfs/dbraw/zinc/52/89/15/609528915.db2.gz GWQMLOWMTXCTMW-UHFFFAOYSA-N -1 3 350.760 3.138 20 0 FGADHM CCOCc1ccc(CNc2ncc(Cl)c(C)c2-c2nnn[n-]2)cc1 ZINC000825603793 609530264 /nfs/dbraw/zinc/53/02/64/609530264.db2.gz CRFKWNSOXKHOAC-UHFFFAOYSA-N -1 3 358.833 3.372 20 0 FGADHM CCOCc1ccc(CNc2ncc(Cl)c(C)c2-c2nn[n-]n2)cc1 ZINC000825603793 609530266 /nfs/dbraw/zinc/53/02/66/609530266.db2.gz CRFKWNSOXKHOAC-UHFFFAOYSA-N -1 3 358.833 3.372 20 0 FGADHM Cc1ccccc1[C@H]1CN(c2ncc(Cl)c(C)c2-c2nnn[n-]2)CCO1 ZINC000826307189 609559793 /nfs/dbraw/zinc/55/97/93/609559793.db2.gz YKYWEOVYUKFVSV-OAHLLOKOSA-N -1 3 370.844 3.110 20 0 FGADHM Cc1ccccc1[C@H]1CN(c2ncc(Cl)c(C)c2-c2nn[n-]n2)CCO1 ZINC000826307189 609559794 /nfs/dbraw/zinc/55/97/94/609559794.db2.gz YKYWEOVYUKFVSV-OAHLLOKOSA-N -1 3 370.844 3.110 20 0 FGADHM COc1ccc(O[C@H](C)CNc2ncc(Cl)c(C)c2-c2nnn[n-]2)cc1 ZINC000826211160 609561132 /nfs/dbraw/zinc/56/11/32/609561132.db2.gz RSFFZARYIKTBQN-SNVBAGLBSA-N -1 3 374.832 3.112 20 0 FGADHM COc1ccc(O[C@H](C)CNc2ncc(Cl)c(C)c2-c2nn[n-]n2)cc1 ZINC000826211160 609561135 /nfs/dbraw/zinc/56/11/35/609561135.db2.gz RSFFZARYIKTBQN-SNVBAGLBSA-N -1 3 374.832 3.112 20 0 FGADHM Cc1ccnc(NCCc2csc(-c3ccccc3)n2)c1-c1nnn[n-]1 ZINC000826313992 609574570 /nfs/dbraw/zinc/57/45/70/609574570.db2.gz AVXPCOMWUBONBO-UHFFFAOYSA-N -1 3 363.450 3.348 20 0 FGADHM Cc1ccnc(NCCc2csc(-c3ccccc3)n2)c1-c1nn[n-]n1 ZINC000826313992 609574572 /nfs/dbraw/zinc/57/45/72/609574572.db2.gz AVXPCOMWUBONBO-UHFFFAOYSA-N -1 3 363.450 3.348 20 0 FGADHM Cc1c(Cl)cnc(N2CCc3c4ccccc4[nH]c3C2)c1-c1nnn[n-]1 ZINC000826238864 609582901 /nfs/dbraw/zinc/58/29/01/609582901.db2.gz RFPQSPCHRKUDBW-UHFFFAOYSA-N -1 3 365.828 3.268 20 0 FGADHM Cc1c(Cl)cnc(N2CCc3c4ccccc4[nH]c3C2)c1-c1nn[n-]n1 ZINC000826238864 609582902 /nfs/dbraw/zinc/58/29/02/609582902.db2.gz RFPQSPCHRKUDBW-UHFFFAOYSA-N -1 3 365.828 3.268 20 0 FGADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)N1CCC[C@H]1/C=C/c1ccccc1 ZINC000826442263 609593961 /nfs/dbraw/zinc/59/39/61/609593961.db2.gz OXMBQVCNUKRBTP-CVTTXWKISA-N -1 3 374.448 3.254 20 0 FGADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)N1CCC[C@H]1/C=C/c1ccccc1 ZINC000826442263 609593965 /nfs/dbraw/zinc/59/39/65/609593965.db2.gz OXMBQVCNUKRBTP-CVTTXWKISA-N -1 3 374.448 3.254 20 0 FGADHM COc1cccc([C@@H](C)C(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000826214593 609612999 /nfs/dbraw/zinc/61/29/99/609612999.db2.gz QQIHMGZAVUAFAK-LLVKDONJSA-N -1 3 372.812 3.376 20 0 FGADHM COc1cccc([C@@H](C)C(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000826214593 609613001 /nfs/dbraw/zinc/61/30/01/609613001.db2.gz QQIHMGZAVUAFAK-LLVKDONJSA-N -1 3 372.812 3.376 20 0 FGADHM CCCCS[C@@H](C)C(=O)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000825296870 609617003 /nfs/dbraw/zinc/61/70/03/609617003.db2.gz YNUHTXSWFBDPAC-JTQLQIEISA-N -1 3 354.863 3.485 20 0 FGADHM CCCCS[C@@H](C)C(=O)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000825296870 609617005 /nfs/dbraw/zinc/61/70/05/609617005.db2.gz YNUHTXSWFBDPAC-JTQLQIEISA-N -1 3 354.863 3.485 20 0 FGADHM Cc1cc(C)c([C@@H](C)OC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)c(C)c1 ZINC000826263105 609636447 /nfs/dbraw/zinc/63/64/47/609636447.db2.gz LOTZTHULAPMSKX-KDOFPFPSSA-N -1 3 366.421 3.130 20 0 FGADHM Cc1cc(C)c([C@@H](C)OC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)c(C)c1 ZINC000826263105 609636449 /nfs/dbraw/zinc/63/64/49/609636449.db2.gz LOTZTHULAPMSKX-KDOFPFPSSA-N -1 3 366.421 3.130 20 0 FGADHM CC[C@@H](C)[C@@H](C)C(=O)OCc1c(-c2nnn[n-]2)c(C)nn1-c1ccccc1 ZINC000825059773 609640908 /nfs/dbraw/zinc/64/09/08/609640908.db2.gz KIRUMPVPQUPDCX-CHWSQXEVSA-N -1 3 368.441 3.086 20 0 FGADHM O=C(COC(=O)c1ccc([O-])cc1)Nc1ncc(C(F)(F)F)cc1Cl ZINC000006889067 695560535 /nfs/dbraw/zinc/56/05/35/695560535.db2.gz OHIFKSNNQGNKBP-UHFFFAOYSA-N -1 3 374.702 3.255 20 0 FGADHM O=C(OCc1nnc(-c2ccc(Br)o2)o1)c1ccc([O-])cc1 ZINC000011077739 695596553 /nfs/dbraw/zinc/59/65/53/695596553.db2.gz GEJYSAPBELADDL-UHFFFAOYSA-N -1 3 365.139 3.155 20 0 FGADHM C[C@H](OC(=O)c1ccc([O-])cc1)C(=O)Nc1cccc(Br)c1 ZINC000015645243 695620324 /nfs/dbraw/zinc/62/03/24/695620324.db2.gz IXEYGRKPQRXRHG-JTQLQIEISA-N -1 3 364.195 3.339 20 0 FGADHM Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)[N-]c1nncs1 ZINC000021215863 695643705 /nfs/dbraw/zinc/64/37/05/695643705.db2.gz DJNCBBIAUFVLTK-UHFFFAOYSA-N -1 3 351.794 3.136 20 0 FGADHM O=C(NCc1ccc(Cl)cc1Cl)N[N-]C(=O)c1ccccc1F ZINC000042997232 695788120 /nfs/dbraw/zinc/78/81/20/695788120.db2.gz KLUIMMGHUSGSEM-UHFFFAOYSA-N -1 3 356.184 3.277 20 0 FGADHM Cc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)cc1C ZINC000046113813 695832842 /nfs/dbraw/zinc/83/28/42/695832842.db2.gz RJFBTQFCUSGHCD-UHFFFAOYSA-N -1 3 364.442 3.382 20 0 FGADHM Cc1ccc(F)cc1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000046121238 695833248 /nfs/dbraw/zinc/83/32/48/695833248.db2.gz LCWXSASAUWHQHV-UHFFFAOYSA-N -1 3 368.405 3.212 20 0 FGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@H]2CCCC[C@@H]2C)ccc1F ZINC000046199718 695835250 /nfs/dbraw/zinc/83/52/50/695835250.db2.gz QMKHIFADOTWQGR-BBRMVZONSA-N -1 3 370.490 3.163 20 0 FGADHM CS(=O)(=O)[N-]c1ccc(C(=O)OCc2ccc(OC(F)F)cc2)cc1 ZINC000050651416 695904962 /nfs/dbraw/zinc/90/49/62/695904962.db2.gz DDZCAJHPDAMDBW-UHFFFAOYSA-N -1 3 371.361 3.017 20 0 FGADHM Cc1noc(C)c1CSc1ccccc1C(=O)NN=c1cccn[n-]1 ZINC000077032076 700245949 /nfs/dbraw/zinc/24/59/49/700245949.db2.gz JDWOBZNZAQEALP-UHFFFAOYSA-N -1 3 355.423 3.131 20 0 FGADHM Cn1cc(C(=O)[N-]c2nc(-c3ccc(F)cc3)ns2)c(C(F)(F)F)n1 ZINC000112594550 700560982 /nfs/dbraw/zinc/56/09/82/700560982.db2.gz OTXHWEZTNGDBOE-UHFFFAOYSA-N -1 3 371.319 3.349 20 0 FGADHM O=S(=O)(/C=C/c1ccc(Cl)cc1)[N-]c1cnn(Cc2ccncc2)c1 ZINC000116430412 700593515 /nfs/dbraw/zinc/59/35/15/700593515.db2.gz CJZVWLXXWLYWSC-JXMROGBWSA-N -1 3 374.853 3.392 20 0 FGADHM O=C(Nc1cc(C(F)(F)F)ccc1F)c1nnc2ccccc2c1[O-] ZINC000118329692 700609347 /nfs/dbraw/zinc/60/93/47/700609347.db2.gz UZMLLGAKPXCWBI-UHFFFAOYSA-N -1 3 351.259 3.333 20 0 FGADHM O=S(=O)([N-]Cc1cccc2c1OCCCO2)c1ccc(Cl)s1 ZINC000125453631 700736148 /nfs/dbraw/zinc/73/61/48/700736148.db2.gz FOHUIZCZPCQLOR-UHFFFAOYSA-N -1 3 359.856 3.041 20 0 FGADHM CCOCCOc1ccc(Br)cc1C=Cc1nccc(=O)[n-]1 ZINC000131769823 700819659 /nfs/dbraw/zinc/81/96/59/700819659.db2.gz IWJSYTMBHXQNPJ-ZZXKWVIFSA-N -1 3 365.227 3.118 20 0 FGADHM CC(C)CCn1cc(C(=O)[N-]c2nc(-c3ccc(F)cc3)ns2)nn1 ZINC000132157816 700824411 /nfs/dbraw/zinc/82/44/11/700824411.db2.gz PBGMQSVUZBGOGY-UHFFFAOYSA-N -1 3 360.418 3.234 20 0 FGADHM 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CC(=O)N1Cc2ccc(S(=O)(=O)[N-]c3c(C)cc(C)cc3C)cc2C1 ZINC000663251838 720492438 /nfs/dbraw/zinc/49/24/38/720492438.db2.gz SZJLAZXHPRFXGF-UHFFFAOYSA-N -1 3 358.463 3.275 20 0 FGADHM CC[C@H](CS(=O)(=O)[N-]c1c(C)c2ccccc2nc1SC)OC ZINC000663298815 720499047 /nfs/dbraw/zinc/49/90/47/720499047.db2.gz FOJFFTDLSPQSHM-GFCCVEGCSA-N -1 3 354.497 3.432 20 0 FGADHM CCC[C@@H](O)CSc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[n-]1 ZINC000665686033 720802275 /nfs/dbraw/zinc/80/22/75/720802275.db2.gz GNJAZZNXJIKJKT-GFCCVEGCSA-N -1 3 364.858 3.428 20 0 FGADHM CC(C)(C)c1nnc2n1CCN(Cc1cccc([O-])c1Br)C2 ZINC000668767886 721351983 /nfs/dbraw/zinc/35/19/83/721351983.db2.gz LFMAPVUJSNBEFY-UHFFFAOYSA-N -1 3 365.275 3.060 20 0 FGADHM O=C(OCc1noc(-c2ccccc2[O-])n1)c1cc(F)c(F)c(F)c1 ZINC000783459410 724755751 /nfs/dbraw/zinc/75/57/51/724755751.db2.gz ARVOMONZSBPCLV-UHFFFAOYSA-N -1 3 350.252 3.217 20 0 FGADHM COc1cccc(C[C@H](CNCc2nc3c(s2)CCCC3)C(=O)[O-])c1 ZINC000669482017 721457258 /nfs/dbraw/zinc/45/72/58/721457258.db2.gz FLTZRNKEBKZWNJ-CQSZACIVSA-N -1 3 360.479 3.064 20 0 FGADHM Cc1ccc(CC(=O)[N-]OC[C@H](C)NC(=O)OC(C)(C)C)c(Cl)c1 ZINC000783664656 724776643 /nfs/dbraw/zinc/77/66/43/724776643.db2.gz ZAHMCLSBUWMFNM-LBPRGKRZSA-N -1 3 356.850 3.152 20 0 FGADHM C[C@@H](CO[N-]C(=O)CCc1ccccc1Cl)NC(=O)OC(C)(C)C ZINC000783664107 724776774 /nfs/dbraw/zinc/77/67/74/724776774.db2.gz SOQFHQSZYGRRTE-LBPRGKRZSA-N -1 3 356.850 3.234 20 0 FGADHM O=C1[N-]C(=O)C(=CNCCCSc2ccc(F)cc2)c2ccccc21 ZINC000783679646 724778466 /nfs/dbraw/zinc/77/84/66/724778466.db2.gz SXVUPWAYBULYFP-ATVHPVEESA-N -1 3 356.422 3.209 20 0 FGADHM O=S(=O)([N-]CCc1ccc2c[nH]nc2c1)c1cc(Cl)ccc1Cl ZINC000671185367 721572193 /nfs/dbraw/zinc/57/21/93/721572193.db2.gz VTYOGBSFVKAXHS-UHFFFAOYSA-N -1 3 370.261 3.391 20 0 FGADHM O=C(Nc1cc(F)ccc1[O-])c1cnc2ncc(Br)cc2c1 ZINC000672910790 721648845 /nfs/dbraw/zinc/64/88/45/721648845.db2.gz DYOCKWWGYFQRKB-UHFFFAOYSA-N -1 3 362.158 3.489 20 0 FGADHM Cn1nc2c(c1C(=O)Nc1ccc(Br)cc1[O-])CCCC2 ZINC000675741490 721771664 /nfs/dbraw/zinc/77/16/64/721771664.db2.gz WNZYWPRRPZXQCL-UHFFFAOYSA-N -1 3 350.216 3.019 20 0 FGADHM Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2cc3cc(Cl)ccc3s2)o1 ZINC000676235894 721792098 /nfs/dbraw/zinc/79/20/98/721792098.db2.gz QIMMUKVTBLTQJN-SSDOTTSWSA-N -1 3 357.844 3.286 20 0 FGADHM Cc1nnc([C@H](C)[N-]S(=O)(=O)c2cc3cc(Cl)ccc3s2)o1 ZINC000676235895 721792530 /nfs/dbraw/zinc/79/25/30/721792530.db2.gz QIMMUKVTBLTQJN-ZETCQYMHSA-N -1 3 357.844 3.286 20 0 FGADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000677148132 721864571 /nfs/dbraw/zinc/86/45/71/721864571.db2.gz UVBAAOVVSWWWKV-MAZHCROVSA-N -1 3 365.426 3.116 20 0 FGADHM O=C(NCCCc1cccc(Br)c1)c1c([O-])cccc1O ZINC000678344459 721953376 /nfs/dbraw/zinc/95/33/76/721953376.db2.gz PHKOWYRPTGUPBQ-UHFFFAOYSA-N -1 3 350.212 3.223 20 0 FGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]CC1([C@H](O)C(C)C)CC1 ZINC000678841521 721984478 /nfs/dbraw/zinc/98/44/78/721984478.db2.gz WSBZRUXYQRLGLH-OAHLLOKOSA-N -1 3 371.886 3.470 20 0 FGADHM CC[C@H](C)Oc1cc(C[N-]S(=O)(=O)c2ccc(F)c(F)c2F)ccn1 ZINC000679010956 721996028 /nfs/dbraw/zinc/99/60/28/721996028.db2.gz NERJRBPAPXIXFH-JTQLQIEISA-N -1 3 374.384 3.155 20 0 FGADHM C[C@]1([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)CCO[C@H]1C1CC1 ZINC000680108950 722072182 /nfs/dbraw/zinc/07/21/82/722072182.db2.gz NIZNLWWOTUNRDN-KBPBESRZSA-N -1 3 367.364 3.080 20 0 FGADHM CC[C@@]1([N-]S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)CCOC1 ZINC000682938171 722274178 /nfs/dbraw/zinc/27/41/78/722274178.db2.gz REOMUZLCBDHEQN-OAHLLOKOSA-N -1 3 372.899 3.311 20 0 FGADHM Cc1cc(Cl)c(C)c(S(=O)(=O)NCc2ncccc2[O-])c1Cl ZINC000684599859 722348934 /nfs/dbraw/zinc/34/89/34/722348934.db2.gz YNMRFCCVZICZAA-UHFFFAOYSA-N -1 3 361.250 3.189 20 0 FGADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)c2ccns2)sc1Br ZINC000716394461 722416995 /nfs/dbraw/zinc/41/69/95/722416995.db2.gz NYVNSSFLPPLLTI-ZETCQYMHSA-N -1 3 367.315 3.315 20 0 FGADHM C[C@@H](Cc1ccsc1)[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000725826758 722423955 /nfs/dbraw/zinc/42/39/55/722423955.db2.gz 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ZINC000730364662 722467859 /nfs/dbraw/zinc/46/78/59/722467859.db2.gz MAKCGBOMKSIUIX-ZJUUUORDSA-N -1 3 358.232 3.005 20 0 FGADHM O=C(COC(=O)c1cccc(Br)c1[O-])Nc1cccc(F)c1 ZINC000730364402 722467867 /nfs/dbraw/zinc/46/78/67/722467867.db2.gz KVDJLPWJRZERBL-UHFFFAOYSA-N -1 3 368.158 3.089 20 0 FGADHM Cn1c(COC(=O)c2cccc(Br)c2[O-])nc2ccccc21 ZINC000730366925 722467965 /nfs/dbraw/zinc/46/79/65/722467965.db2.gz XZWAPITVFSCAEE-UHFFFAOYSA-N -1 3 361.195 3.398 20 0 FGADHM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)COC3)ccc1N1CCCC1 ZINC000731781533 722478006 /nfs/dbraw/zinc/47/80/06/722478006.db2.gz ATVSZDNGRSDHAO-UHFFFAOYSA-N -1 3 358.463 3.426 20 0 FGADHM O=C(Nc1nc(-c2ccc(F)cc2)ns1)c1cc2c(cc1[O-])OCO2 ZINC000733003060 722491243 /nfs/dbraw/zinc/49/12/43/722491243.db2.gz UFYVSJMEWJFULC-UHFFFAOYSA-N -1 3 359.338 3.031 20 0 FGADHM CC(C)CCS(=O)(=O)[N-][C@@H](CC(C)C)C(=O)OCc1ccccc1 ZINC000733798870 722500931 /nfs/dbraw/zinc/50/09/31/722500931.db2.gz HHDLAGHROORWGU-KRWDZBQOSA-N -1 3 355.500 3.110 20 0 FGADHM O=C(OCc1cc(=O)c([O-])co1)c1cc(Br)ccc1Cl ZINC000735963488 722520743 /nfs/dbraw/zinc/52/07/43/722520743.db2.gz ZOGZNSDIZLNJMV-UHFFFAOYSA-N -1 3 359.559 3.118 20 0 FGADHM O=S(=O)([N-][C@@H]1CCSc2c(F)cccc21)c1cccnc1Cl ZINC000738355519 722529925 /nfs/dbraw/zinc/52/99/25/722529925.db2.gz VYLBZJIEDVGKKB-LLVKDONJSA-N -1 3 358.847 3.390 20 0 FGADHM Cc1cccc(C)c1OC[C@@H](C)[N-]S(=O)(=O)c1cccnc1Cl ZINC000738365252 722530012 /nfs/dbraw/zinc/53/00/12/722530012.db2.gz YEBSDZGVGMDYQL-CYBMUJFWSA-N -1 3 354.859 3.098 20 0 FGADHM O[C@@H](CNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C1CCCCC1 ZINC000738382543 722530193 /nfs/dbraw/zinc/53/01/93/722530193.db2.gz LMHAJMMLJWRWOG-AWEZNQCLSA-N -1 3 355.364 3.239 20 0 FGADHM O[C@@H](CNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C1CCCCC1 ZINC000738382543 722530194 /nfs/dbraw/zinc/53/01/94/722530194.db2.gz LMHAJMMLJWRWOG-AWEZNQCLSA-N -1 3 355.364 3.239 20 0 FGADHM CCCCN(C)S(=O)(=O)[N-]c1cc2ccccc2cc1C(=O)OC ZINC000739671675 722533678 /nfs/dbraw/zinc/53/36/78/722533678.db2.gz 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ZINC000744736482 722580007 /nfs/dbraw/zinc/58/00/07/722580007.db2.gz OKAYRTCVTPXIJS-UHFFFAOYSA-N -1 3 371.220 3.271 20 0 FGADHM CC/C(=C/C(=O)OCC(=O)[N-]C(=O)c1cccs1)c1ccc(C)cc1 ZINC000745126935 722583977 /nfs/dbraw/zinc/58/39/77/722583977.db2.gz SOMNZKAKSVTCJT-KAMYIIQDSA-N -1 3 357.431 3.350 20 0 FGADHM COC(=O)Nc1ccc(C(=O)OCCO[C@@H]2CCCC[C@H]2C)cc1[O-] ZINC000745653642 722589139 /nfs/dbraw/zinc/58/91/39/722589139.db2.gz RXCNKNNQDQWMIT-MLGOLLRUSA-N -1 3 351.399 3.323 20 0 FGADHM CC(C)(C)c1cnc(C[N-]C(=O)C(F)(F)Oc2ccc(C=O)cc2)o1 ZINC000746626703 722611224 /nfs/dbraw/zinc/61/12/24/722611224.db2.gz LSPPYTQDQTUMIG-UHFFFAOYSA-N -1 3 352.337 3.073 20 0 FGADHM Cc1ccc(-c2cc(C(=O)OC3CCN(CC(F)(F)F)CC3)n[n-]2)o1 ZINC000747186184 722635735 /nfs/dbraw/zinc/63/57/35/722635735.db2.gz WYKFOLOOGCSZHC-UHFFFAOYSA-N -1 3 357.332 3.162 20 0 FGADHM Cc1ccc(-c2cc(C(=O)OC3CCN(CC(F)(F)F)CC3)[n-]n2)o1 ZINC000747186184 722635738 /nfs/dbraw/zinc/63/57/38/722635738.db2.gz WYKFOLOOGCSZHC-UHFFFAOYSA-N -1 3 357.332 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3.283 20 0 FGADHM O=C([N-]c1cc(-c2ccccc2F)no1)c1cnc(C2OCCO2)s1 ZINC000806785368 725143553 /nfs/dbraw/zinc/14/35/53/725143553.db2.gz KDLYLWQJIXIQGC-UHFFFAOYSA-N -1 3 361.354 3.235 20 0 FGADHM COc1ccc(Cl)cc1NC(=O)[C@H](C)SCc1nc(C)cc(=O)[n-]1 ZINC000808360943 725196589 /nfs/dbraw/zinc/19/65/89/725196589.db2.gz AAPDREOZBUYKJZ-JTQLQIEISA-N -1 3 367.858 3.413 20 0 FGADHM CC(C)(C)CCCS(=O)(=O)[N-]C[C@](O)(c1ccccc1)C(F)(F)F ZINC000809819807 725270756 /nfs/dbraw/zinc/27/07/56/725270756.db2.gz YZKUYOSSXDSKCU-HNNXBMFYSA-N -1 3 367.433 3.182 20 0 FGADHM Cc1[n-]ncc1S(=O)(=O)Oc1c(Cl)cc(Cl)c2cccnc21 ZINC000809852907 725273556 /nfs/dbraw/zinc/27/35/56/725273556.db2.gz QGFNUSNGOYZVSP-UHFFFAOYSA-N -1 3 358.206 3.341 20 0 FGADHM O=C([N-]C[C@@H]1CCCN(CCOc2ccccc2Cl)C1)C(F)(F)F ZINC000810065425 725285954 /nfs/dbraw/zinc/28/59/54/725285954.db2.gz BHDVRIOTSKGINW-LBPRGKRZSA-N -1 3 364.795 3.109 20 0 FGADHM COc1ccc(Cl)c(CN2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)c1 ZINC000810072295 725286651 /nfs/dbraw/zinc/28/66/51/725286651.db2.gz SOXZNJMYQYTLAL-NSHDSACASA-N -1 3 364.795 3.239 20 0 FGADHM CC1N=NC(=S)N1c1cccc(NC(=O)c2cc([O-])ccc2Cl)c1 ZINC000810784749 725327505 /nfs/dbraw/zinc/32/75/05/725327505.db2.gz COWUTDDTQFNZFD-UHFFFAOYSA-N -1 3 360.826 3.476 20 0 FGADHM CC(C)(C)OC(=O)N[C@@H](CNC(=O)c1cc([O-])ccc1Cl)C1CC1 ZINC000810817022 725329274 /nfs/dbraw/zinc/32/92/74/725329274.db2.gz VCCKTYYQRCYITB-AWEZNQCLSA-N -1 3 354.834 3.079 20 0 FGADHM O=C([N-][C@H]1COc2ccccc2[C@@H]1O)C(F)(F)c1cccc(Cl)c1 ZINC000811577718 725373968 /nfs/dbraw/zinc/37/39/68/725373968.db2.gz CWHCIIPFJLRWCO-ZFWWWQNUSA-N -1 3 353.752 3.043 20 0 FGADHM O=S(=O)(CCOCC(F)(F)F)[N-]c1cccc(SC(F)F)c1 ZINC000811683514 725376694 /nfs/dbraw/zinc/37/66/94/725376694.db2.gz WLFCPBJGOZHONZ-UHFFFAOYSA-N -1 3 365.345 3.322 20 0 FGADHM Cc1ccc(C)c(NC(=S)Nc2cc3c(cc2[O-])n(C)c(=O)n3C)c1 ZINC000811720770 725378216 /nfs/dbraw/zinc/37/82/16/725378216.db2.gz BSZWZFWYIZDUIN-UHFFFAOYSA-N -1 3 356.451 3.008 20 0 FGADHM CCCCC[C@@H](C)NC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000811853635 725383035 /nfs/dbraw/zinc/38/30/35/725383035.db2.gz HKIYSWSZHGOKIB-CHWSQXEVSA-N -1 3 351.413 3.055 20 0 FGADHM O=C([N-]C[C@@H]1CCCN(C(=O)NCCC2CCCCC2)C1)C(F)(F)F ZINC000811863049 725383359 /nfs/dbraw/zinc/38/33/59/725383359.db2.gz NXUVQSJBTVIDJU-AWEZNQCLSA-N -1 3 363.424 3.057 20 0 FGADHM C[C@@H](CC(=O)[N-]OC[C@@H]1CCOC1)c1ccc(F)c(Br)c1 ZINC000812545389 725399827 /nfs/dbraw/zinc/39/98/27/725399827.db2.gz OFWWTCXQPGAOAF-WDEREUQCSA-N -1 3 360.223 3.166 20 0 FGADHM COC(=O)c1cc(C(=O)OCc2ccc(OCC(F)(F)F)cc2)c[n-]1 ZINC000814529568 726978432 /nfs/dbraw/zinc/97/84/32/726978432.db2.gz JHCRRQBWXIGEBU-UHFFFAOYSA-N -1 3 357.284 3.099 20 0 FGADHM CC(C)(C)OC(=O)NCC1CCN(Cc2c(F)ccc([O-])c2F)CC1 ZINC000816487069 727167290 /nfs/dbraw/zinc/16/72/90/727167290.db2.gz CDWBEAKXKBYLGY-UHFFFAOYSA-N -1 3 356.413 3.407 20 0 FGADHM C[C@@H]1CN(Cc2c(F)ccc([O-])c2F)CC[C@H]1NC(=O)OC(C)(C)C ZINC000816510904 727169859 /nfs/dbraw/zinc/16/98/59/727169859.db2.gz JGNFGEKOEFOZQM-BXUZGUMPSA-N -1 3 356.413 3.406 20 0 FGADHM CCCNC(=O)OC[C@H]1CCCCN1C(=O)c1cc([O-])ccc1Cl ZINC000816663318 727187326 /nfs/dbraw/zinc/18/73/26/727187326.db2.gz QVTLPNZHHSFGAT-GFCCVEGCSA-N -1 3 354.834 3.177 20 0 FGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2CC(C)(C)[C@H]2C(C)C)ccc1F ZINC000817218675 727230392 /nfs/dbraw/zinc/23/03/92/727230392.db2.gz IDWBSNPMHUIVKU-MRXNPFEDSA-N -1 3 370.490 3.019 20 0 FGADHM CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1ccc(SC(F)F)nc1 ZINC000817391188 727246247 /nfs/dbraw/zinc/24/62/47/727246247.db2.gz ALKWVSOCKMUXGJ-NSHDSACASA-N -1 3 354.444 3.199 20 0 FGADHM CC[C@@H](CS(=O)(=O)[N-]c1cccc(-c2cn3c(n2)CCCC3)c1)OC ZINC000817390759 727246361 /nfs/dbraw/zinc/24/63/61/727246361.db2.gz SZSVTVCEIKDPPL-INIZCTEOSA-N -1 3 363.483 3.053 20 0 FGADHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)Oc1ccccc1Cl ZINC000820005604 728960729 /nfs/dbraw/zinc/96/07/29/728960729.db2.gz TYSYJEXBWVAYPO-UHFFFAOYSA-N -1 3 358.785 3.283 20 0 FGADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Oc1ccccc1Cl ZINC000820005604 728960730 /nfs/dbraw/zinc/96/07/30/728960730.db2.gz TYSYJEXBWVAYPO-UHFFFAOYSA-N -1 3 358.785 3.283 20 0 FGADHM Cc1ncc2c(n1)CCC[C@H]2[N-]C(=O)C(F)(F)c1cc(F)cc(F)c1 ZINC000820049515 728963861 /nfs/dbraw/zinc/96/38/61/728963861.db2.gz CSZFLNILNIHNCY-OAHLLOKOSA-N -1 3 353.319 3.349 20 0 FGADHM C[C@@H](OC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1ccc(C(F)(F)F)cc1 ZINC000820502363 728999723 /nfs/dbraw/zinc/99/97/23/728999723.db2.gz QELKLOMEZYSCRS-MRVPVSSYSA-N -1 3 351.288 3.132 20 0 FGADHM C[C@@H](OC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1ccc(C(F)(F)F)cc1 ZINC000820502363 728999724 /nfs/dbraw/zinc/99/97/24/728999724.db2.gz QELKLOMEZYSCRS-MRVPVSSYSA-N -1 3 351.288 3.132 20 0 FGADHM CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2c([O-])cccc2Cl)c1 ZINC000820510277 729000725 /nfs/dbraw/zinc/00/07/25/729000725.db2.gz NJFYAVNJCLWYMT-UHFFFAOYSA-N -1 3 357.790 3.231 20 0 FGADHM CCc1ccccc1NC(=O)CNc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821497575 729093673 /nfs/dbraw/zinc/09/36/73/729093673.db2.gz WHBDAZFZWKYUTL-UHFFFAOYSA-N -1 3 356.817 3.133 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)OCCSc1ccc(Cl)cc1 ZINC000823112328 729253470 /nfs/dbraw/zinc/25/34/70/729253470.db2.gz XPEYNJOKMRJILB-UHFFFAOYSA-N -1 3 374.853 3.398 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)OCCSc1ccc(Cl)cc1 ZINC000823112328 729253472 /nfs/dbraw/zinc/25/34/72/729253472.db2.gz XPEYNJOKMRJILB-UHFFFAOYSA-N -1 3 374.853 3.398 20 0 FGADHM O=C(OCc1cc(-c2nnn[n-]2)ccc1F)c1cccc(F)c1Cl ZINC000823414016 729278293 /nfs/dbraw/zinc/27/82/93/729278293.db2.gz QAXPPJFJPCGPKY-UHFFFAOYSA-N -1 3 350.712 3.155 20 0 FGADHM O=C(OCc1cc(-c2nn[n-]n2)ccc1F)c1cccc(F)c1Cl ZINC000823414016 729278296 /nfs/dbraw/zinc/27/82/96/729278296.db2.gz QAXPPJFJPCGPKY-UHFFFAOYSA-N -1 3 350.712 3.155 20 0 FGADHM O=C(c1cc(-c2nnn[n-]2)cs1)N1CCCCC[C@@H]1c1ccncc1 ZINC000823472548 729283903 /nfs/dbraw/zinc/28/39/03/729283903.db2.gz QIEXUDOOVBVXQP-CQSZACIVSA-N -1 3 354.439 3.081 20 0 FGADHM O=C(c1cc(-c2nn[n-]n2)cs1)N1CCCCC[C@@H]1c1ccncc1 ZINC000823472548 729283904 /nfs/dbraw/zinc/28/39/04/729283904.db2.gz QIEXUDOOVBVXQP-CQSZACIVSA-N -1 3 354.439 3.081 20 0 FGADHM O=C(c1cccc(-c2nnn[n-]2)c1)N1CCc2cc(Cl)cc(Cl)c2C1 ZINC000823493176 729285228 /nfs/dbraw/zinc/28/52/28/729285228.db2.gz GYCQKMSVOAYHNW-UHFFFAOYSA-N -1 3 374.231 3.372 20 0 FGADHM O=C(c1cccc(-c2nn[n-]n2)c1)N1CCc2cc(Cl)cc(Cl)c2C1 ZINC000823493176 729285231 /nfs/dbraw/zinc/28/52/31/729285231.db2.gz GYCQKMSVOAYHNW-UHFFFAOYSA-N -1 3 374.231 3.372 20 0 FGADHM CC(C)c1cnc(COC(=O)C=Cc2ccccc2-c2nnn[n-]2)s1 ZINC000824352736 729332462 /nfs/dbraw/zinc/33/24/62/729332462.db2.gz LCPKRVCDWHWSJY-BQYQJAHWSA-N -1 3 355.423 3.203 20 0 FGADHM CC(C)c1cnc(COC(=O)C=Cc2ccccc2-c2nn[n-]n2)s1 ZINC000824352736 729332464 /nfs/dbraw/zinc/33/24/64/729332464.db2.gz LCPKRVCDWHWSJY-BQYQJAHWSA-N -1 3 355.423 3.203 20 0 FGADHM CCCCC[C@H](CC)C(=O)OCC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000825268656 729376319 /nfs/dbraw/zinc/37/63/19/729376319.db2.gz XHNWALDQTOFWBG-NSHDSACASA-N -1 3 365.459 3.016 20 0 FGADHM CCCCC[C@H](CC)C(=O)OCC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000825268656 729376321 /nfs/dbraw/zinc/37/63/21/729376321.db2.gz XHNWALDQTOFWBG-NSHDSACASA-N -1 3 365.459 3.016 20 0 FGADHM C[C@@H]([N-]C(=O)C(F)(F)c1cccc(Br)c1)c1nccn1C ZINC000825544376 729387096 /nfs/dbraw/zinc/38/70/96/729387096.db2.gz IVZLIUBSKZZTIY-SECBINFHSA-N -1 3 358.186 3.152 20 0 FGADHM CCSCC[C@H](C)N(C)C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000825668270 729390936 /nfs/dbraw/zinc/39/09/36/729390936.db2.gz DDEMWNDSLFWLAF-JTQLQIEISA-N -1 3 353.879 3.124 20 0 FGADHM CCSCC[C@H](C)N(C)C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000825668270 729390937 /nfs/dbraw/zinc/39/09/37/729390937.db2.gz DDEMWNDSLFWLAF-JTQLQIEISA-N -1 3 353.879 3.124 20 0 FGADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)[C@H](C)c1ccccc1 ZINC000826167973 729406077 /nfs/dbraw/zinc/40/60/77/729406077.db2.gz XXXALEQXGLGOTB-SNVBAGLBSA-N -1 3 358.785 3.238 20 0 FGADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)[C@H](C)c1ccccc1 ZINC000826167973 729406078 /nfs/dbraw/zinc/40/60/78/729406078.db2.gz XXXALEQXGLGOTB-SNVBAGLBSA-N -1 3 358.785 3.238 20 0 FGADHM C[S@@](=O)Cc1cc(NCc2cc(-c3nnn[n-]3)cs2)ccc1Cl ZINC000826225277 729406393 /nfs/dbraw/zinc/40/63/93/729406393.db2.gz XPXHPXVMKNZGJX-HSZRJFAPSA-N -1 3 367.887 3.072 20 0 FGADHM C[S@@](=O)Cc1cc(NCc2cc(-c3nn[n-]n3)cs2)ccc1Cl ZINC000826225277 729406394 /nfs/dbraw/zinc/40/63/94/729406394.db2.gz XPXHPXVMKNZGJX-HSZRJFAPSA-N -1 3 367.887 3.072 20 0 FGADHM Cc1c(Cl)cnc(NC[C@@H](O)c2ccccc2Cl)c1-c1nnn[n-]1 ZINC000826239805 729406552 /nfs/dbraw/zinc/40/65/52/729406552.db2.gz QLFDIQBYKXXUKB-GFCCVEGCSA-N -1 3 365.224 3.022 20 0 FGADHM Cc1c(Cl)cnc(NC[C@@H](O)c2ccccc2Cl)c1-c1nn[n-]n1 ZINC000826239805 729406554 /nfs/dbraw/zinc/40/65/54/729406554.db2.gz QLFDIQBYKXXUKB-GFCCVEGCSA-N -1 3 365.224 3.022 20 0 FGADHM Cc1ccc([C@H](O)CNc2ccc(Br)cc2-c2nnn[n-]2)cc1 ZINC000826284579 729406952 /nfs/dbraw/zinc/40/69/52/729406952.db2.gz YEBMAYYGOIAOLB-OAHLLOKOSA-N -1 3 374.242 3.083 20 0 FGADHM Cc1ccc([C@H](O)CNc2ccc(Br)cc2-c2nn[n-]n2)cc1 ZINC000826284579 729406953 /nfs/dbraw/zinc/40/69/53/729406953.db2.gz YEBMAYYGOIAOLB-OAHLLOKOSA-N -1 3 374.242 3.083 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NCc1ncc(Br)s1 ZINC000826278650 729407014 /nfs/dbraw/zinc/40/70/14/729407014.db2.gz MZDGSGVUMXKGLM-UHFFFAOYSA-N -1 3 351.233 3.006 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NCc1ncc(Br)s1 ZINC000826278650 729407015 /nfs/dbraw/zinc/40/70/15/729407015.db2.gz MZDGSGVUMXKGLM-UHFFFAOYSA-N -1 3 351.233 3.006 20 0 FGADHM Cc1nc(C(C)C)sc1[C@H](C)OC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000826323617 729407066 /nfs/dbraw/zinc/40/70/66/729407066.db2.gz LBJCUGQQRFVWGP-JTQLQIEISA-N -1 3 360.443 3.012 20 0 FGADHM Cc1nc(C(C)C)sc1[C@H](C)OC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000826323617 729407067 /nfs/dbraw/zinc/40/70/67/729407067.db2.gz LBJCUGQQRFVWGP-JTQLQIEISA-N -1 3 360.443 3.012 20 0 FGADHM Clc1cc(Cl)cc(NCc2cnc3ccc(-c4nnn[n-]4)cn23)c1 ZINC000826351071 729407426 /nfs/dbraw/zinc/40/74/26/729407426.db2.gz WGHQHCUWFGHQLM-UHFFFAOYSA-N -1 3 360.208 3.433 20 0 FGADHM Clc1cc(Cl)cc(NCc2cnc3ccc(-c4nn[n-]n4)cn23)c1 ZINC000826351071 729407428 /nfs/dbraw/zinc/40/74/28/729407428.db2.gz WGHQHCUWFGHQLM-UHFFFAOYSA-N -1 3 360.208 3.433 20 0 FGADHM Cc1ncsc1CNc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000826331243 729407457 /nfs/dbraw/zinc/40/74/57/729407457.db2.gz ABDXLHKDFNAZEW-UHFFFAOYSA-N -1 3 372.845 3.083 20 0 FGADHM Cc1ncsc1CNc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000826331243 729407458 /nfs/dbraw/zinc/40/74/58/729407458.db2.gz ABDXLHKDFNAZEW-UHFFFAOYSA-N -1 3 372.845 3.083 20 0 FGADHM O=c1[nH]c(CSc2cccc(Cl)c2-c2nnn[n-]2)nc2ccccc12 ZINC000826500523 729408362 /nfs/dbraw/zinc/40/83/62/729408362.db2.gz AXXDYTRQBOBQOF-UHFFFAOYSA-N -1 3 370.825 3.461 20 0 FGADHM O=c1[nH]c(CSc2cccc(Cl)c2-c2nn[n-]n2)nc2ccccc12 ZINC000826500523 729408364 /nfs/dbraw/zinc/40/83/64/729408364.db2.gz AXXDYTRQBOBQOF-UHFFFAOYSA-N -1 3 370.825 3.461 20 0 FGADHM CCc1nnc([C@H](C)[N-]C(=O)C(F)(F)c2ccccc2Br)[nH]1 ZINC000827530781 729431388 /nfs/dbraw/zinc/43/13/88/729431388.db2.gz OFCDTKJNKJRFJH-QMMMGPOBSA-N -1 3 373.201 3.099 20 0 FGADHM O=C(COC(=O)c1cc(Cl)c(Cl)[n-]1)NC1C2CC3CC(C2)CC1C3 ZINC000828612972 729445786 /nfs/dbraw/zinc/44/57/86/729445786.db2.gz DVAZQSLCPWCAMW-UHFFFAOYSA-N -1 3 371.264 3.419 20 0 FGADHM CC(=O)c1cc(F)c([O-])c(NC(=O)C(C[C@H]2CCCO2)C(F)(F)F)c1 ZINC000830331563 729550773 /nfs/dbraw/zinc/55/07/73/729550773.db2.gz GKTWDNSJVJHBCK-MNOVXSKESA-N -1 3 363.307 3.420 20 0 FGADHM CC[C@H]([N-]C(=O)C(F)(F)c1ccccc1Br)[C@H](O)C(F)F ZINC000833669544 729749669 /nfs/dbraw/zinc/74/96/69/729749669.db2.gz IGUNPIDAAVYGOD-UWVGGRQHSA-N -1 3 372.156 3.062 20 0 FGADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1ccc(C)c(OCC(F)F)c1 ZINC000836363927 729953181 /nfs/dbraw/zinc/95/31/81/729953181.db2.gz NNTNNSJUOZAGLV-UHFFFAOYSA-N -1 3 360.357 3.034 20 0 FGADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1ccc(C)c(OCC(F)F)c1 ZINC000836363927 729953183 /nfs/dbraw/zinc/95/31/83/729953183.db2.gz NNTNNSJUOZAGLV-UHFFFAOYSA-N -1 3 360.357 3.034 20 0 FGADHM O=C(COC(=O)[C@H]1CCC[C@@H]1c1ccccc1)[N-]C(=O)c1cccs1 ZINC000837860403 730070013 /nfs/dbraw/zinc/07/00/13/730070013.db2.gz GJFJJAUGCUUZCD-CABCVRRESA-N -1 3 357.431 3.132 20 0 FGADHM C[C@H]([N-]C(=O)C(F)(F)c1ccccc1Br)c1ccn(C)n1 ZINC000838243406 730102775 /nfs/dbraw/zinc/10/27/75/730102775.db2.gz VZMURXQRMAXLDL-VIFPVBQESA-N -1 3 358.186 3.152 20 0 FGADHM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H](C)CC(F)(F)F)c1 ZINC000841563496 730257025 /nfs/dbraw/zinc/25/70/25/730257025.db2.gz OLYPXOPEEWIXPH-QMMMGPOBSA-N -1 3 357.781 3.409 20 0 FGADHM O=c1cc(C[S@](=O)CCOc2cccc(Cl)c2)nc(C2CC2)[n-]1 ZINC000841717227 730266337 /nfs/dbraw/zinc/26/63/37/730266337.db2.gz IOYCQEITSUXEPU-HSZRJFAPSA-N -1 3 352.843 3.041 20 0 FGADHM Cc1cc(C[S@@](=O)Cc2nc(C(F)(F)F)cc(=O)[n-]2)cc(Cl)n1 ZINC000841722617 730267070 /nfs/dbraw/zinc/26/70/70/730267070.db2.gz JFSQUHHDNOXZSS-HSZRJFAPSA-N -1 3 365.764 3.007 20 0 FGADHM CC[C@H]([N-]C(=O)C(F)(F)c1ccccc1F)C(=O)NCc1cccs1 ZINC000843309853 730607306 /nfs/dbraw/zinc/60/73/06/730607306.db2.gz IOMIBGZWSVPLJZ-AWEZNQCLSA-N -1 3 370.396 3.190 20 0 FGADHM CC(C)(C)OC(=O)N1[C@H](CCC(=O)[N-]OC2CCCC2)COC1(C)C ZINC000843846066 730660175 /nfs/dbraw/zinc/66/01/75/730660175.db2.gz FPVUHGMIXZMOBG-CYBMUJFWSA-N -1 3 356.463 3.129 20 0 FGADHM C[C@H](OC(=O)c1ccc(N)c(Cl)c1[O-])C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000845193590 730818183 /nfs/dbraw/zinc/81/81/83/730818183.db2.gz KOQMQJXPRUVVGR-NJBDSQKTSA-N -1 3 368.861 3.114 20 0 FGADHM CCn1ccc(CC(=O)O[C@@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)n1 ZINC000845296726 730828572 /nfs/dbraw/zinc/82/85/72/730828572.db2.gz ZVZTYBQGZWGXHF-JTQLQIEISA-N -1 3 360.439 3.077 20 0 FGADHM CS[C@@H]1CC[C@H]([N-]S(=O)(=O)c2sc(Br)cc2C)C1 ZINC000845883186 730906051 /nfs/dbraw/zinc/90/60/51/730906051.db2.gz MCHJJVMQDHSJJI-DTWKUNHWSA-N -1 3 370.359 3.381 20 0 FGADHM O=C(/C=C/C1CCCCCC1)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000846063808 730924836 /nfs/dbraw/zinc/92/48/36/730924836.db2.gz DOXUVKRFBOSEKH-BQYQJAHWSA-N -1 3 360.420 3.430 20 0 FGADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H](c1ccccc1F)C(C)C ZINC000849439748 731259380 /nfs/dbraw/zinc/25/93/80/731259380.db2.gz HVNPUPMXSMHRTD-CYBMUJFWSA-N -1 3 359.854 3.197 20 0 FGADHM C[C@@]1(C[N-]S(=O)(=O)c2cc3ccc(Cl)nc3cc2F)CC1(F)F ZINC000849460812 731262447 /nfs/dbraw/zinc/26/24/47/731262447.db2.gz QBARAVPFYVKLHY-ZDUSSCGKSA-N -1 3 364.776 3.351 20 0 FGADHM CC[C@@H](COC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])CC(F)F ZINC000849684424 731272285 /nfs/dbraw/zinc/27/22/85/731272285.db2.gz CFZOWMMBZCLYJD-OCCSQVGLSA-N -1 3 355.381 3.221 20 0 FGADHM O=C([O-])C1=CC[C@@H](NCc2cc(OC(F)F)ccc2Br)C1 ZINC000853038108 731653558 /nfs/dbraw/zinc/65/35/58/731653558.db2.gz PKDXFHBQAPSMIN-SNVBAGLBSA-N -1 3 362.170 3.314 20 0 FGADHM CC(=Cc1c(Cl)cccc1Cl)C(=O)NCCCc1cc(=O)[nH][n-]1 ZINC000854486453 731834112 /nfs/dbraw/zinc/83/41/12/731834112.db2.gz ZANUJHDWURPHTN-NTMALXAHSA-N -1 3 354.237 3.169 20 0 FGADHM CSc1ccc([O-])c(C(=O)N2CCC[C@@H]3CC4(CC[C@@H]32)OCCO4)c1 ZINC000854845938 731866967 /nfs/dbraw/zinc/86/69/67/731866967.db2.gz GXLRGBTWTXVESJ-CJNGLKHVSA-N -1 3 363.479 3.262 20 0 FGADHM Cn1c(=O)ccc2c1CCC[C@@H]2NC(=O)c1cc2sccc2c([O-])c1 ZINC000855030123 731888702 /nfs/dbraw/zinc/88/87/02/731888702.db2.gz FSOVFSGZBQGRKL-AWEZNQCLSA-N -1 3 354.431 3.113 20 0 FGADHM CC(C)(C)OC(=O)N1CC[C@](C)(NC(=O)c2cc([O-])ccc2Cl)C1 ZINC000856503825 732034725 /nfs/dbraw/zinc/03/47/25/732034725.db2.gz HSDSALFILNTOCZ-KRWDZBQOSA-N -1 3 354.834 3.175 20 0 FGADHM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]CC[C@@H]2CC2(Cl)Cl)c1 ZINC000856753313 732054808 /nfs/dbraw/zinc/05/48/08/732054808.db2.gz XKFIMLPTZWMVQV-SNVBAGLBSA-N -1 3 370.685 3.405 20 0 FGADHM Cc1ncc2c(n1)CCC[C@H]2NC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000857131803 732105085 /nfs/dbraw/zinc/10/50/85/732105085.db2.gz JWWBJFIPCVQLLD-OAHLLOKOSA-N -1 3 351.328 3.317 20 0 FGADHM CCCC[C@@H](C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)C(C)C ZINC000857211835 732112433 /nfs/dbraw/zinc/11/24/33/732112433.db2.gz ONXJSIGVXJXRNL-CQSZACIVSA-N -1 3 350.425 3.366 20 0 FGADHM CN(CC(F)(F)Br)C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000857260875 732116341 /nfs/dbraw/zinc/11/63/41/732116341.db2.gz AOISEJUHLDNIQN-UHFFFAOYSA-N -1 3 362.092 3.471 20 0 FGADHM O=S(=O)([N-]C1(c2c(F)cccc2F)CCC1)c1cccnc1Cl ZINC000859432746 732327540 /nfs/dbraw/zinc/32/75/40/732327540.db2.gz BCNLCTMJZUXYET-UHFFFAOYSA-N -1 3 358.797 3.371 20 0 FGADHM O=C(OCc1cc(=O)[n-]c(C2CC2)n1)c1ccc(SC(F)(F)F)nc1 ZINC000859933602 732418632 /nfs/dbraw/zinc/41/86/32/732418632.db2.gz ZGKPVYJAGGTPSY-UHFFFAOYSA-N -1 3 371.340 3.424 20 0 FGADHM O=C(c1cc2sccc2c([O-])c1)N1CCc2nc(C3CC3)ncc2C1 ZINC000862966432 732897539 /nfs/dbraw/zinc/89/75/39/732897539.db2.gz XTZOZYILGQXUND-UHFFFAOYSA-N -1 3 351.431 3.473 20 0 FGADHM C[C@@H](CC(C)(C)C)CS(=O)(=O)Cc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000864497850 733065998 /nfs/dbraw/zinc/06/59/98/733065998.db2.gz VXCLFIJBZJZWFK-VIFPVBQESA-N -1 3 354.394 3.188 20 0 FGADHM Cc1cc2c(cc1C)[C@@H](NCc1nc3c(c(=O)[n-]1)COCC3)CCS2 ZINC000866629799 733377726 /nfs/dbraw/zinc/37/77/26/733377726.db2.gz RGFKRIJYKXHUMF-HNNXBMFYSA-N -1 3 357.479 3.198 20 0 FGADHM O=c1cc(-c2noc([C@@H]3[C@@H]4Cc5ccc(Br)cc5[C@@H]43)n2)nc[n-]1 ZINC000867039099 733428134 /nfs/dbraw/zinc/42/81/34/733428134.db2.gz UGBZFLWRVWRUEE-DDTOSNHZSA-N -1 3 371.194 3.048 20 0 FGADHM CC(F)(F)C(C)(C)C[N-]S(=O)(=O)c1cscc1Br ZINC000867786048 733517316 /nfs/dbraw/zinc/51/73/16/733517316.db2.gz GJUZANXRLURLDQ-UHFFFAOYSA-N -1 3 362.261 3.470 20 0 FGADHM CC(C)(C)[C@@H](NCc1cccc(F)c1I)C(=O)[O-] ZINC000871877349 735559314 /nfs/dbraw/zinc/55/93/14/735559314.db2.gz GMBHORVLKJOXDB-NSHDSACASA-N -1 3 365.186 3.019 20 0 FGADHM Cc1ccc(Br)c(F)c1CNCCSC[C@@H](C)C(=O)[O-] ZINC000871874422 735558649 /nfs/dbraw/zinc/55/86/49/735558649.db2.gz NPHZGSKBIZSTEL-SNVBAGLBSA-N -1 3 364.280 3.440 20 0 FGADHM CC(C)(C)[C@H](NCc1cccc(F)c1I)C(=O)[O-] ZINC000871877348 735559062 /nfs/dbraw/zinc/55/90/62/735559062.db2.gz GMBHORVLKJOXDB-LLVKDONJSA-N -1 3 365.186 3.019 20 0 FGADHM CCS(=O)(CC)=NS(=O)(=O)[N-]c1cccc(C(F)F)c1Cl ZINC000872362050 735619864 /nfs/dbraw/zinc/61/98/64/735619864.db2.gz BRHNVFZNRDBGGE-UHFFFAOYSA-N -1 3 360.835 3.442 20 0 FGADHM C[C@H](c1ccc(F)c(Cl)c1)N1C[C@H](C(=O)[O-])C[C@@H](c2cnn(C)c2)C1 ZINC000873644268 735791181 /nfs/dbraw/zinc/79/11/81/735791181.db2.gz OGJATPUSRJPEGF-MRVWCRGKSA-N -1 3 365.836 3.464 20 0 FGADHM CCS(=O)(=O)c1ccc(Cl)c(C(=O)[N-]c2nc(C(C)C)ns2)c1 ZINC000874696664 735921379 /nfs/dbraw/zinc/92/13/79/735921379.db2.gz JQQSJZRKYDBAAC-UHFFFAOYSA-N -1 3 373.887 3.361 20 0 FGADHM CO[C@H]1C[C@@H](CN2C[C@@H](CC[N-]C(=O)C(F)(F)F)c3ccccc32)C1 ZINC000879467797 736995012 /nfs/dbraw/zinc/99/50/12/736995012.db2.gz MFDUIFRXULLFHM-MCIONIFRSA-N -1 3 356.388 3.084 20 0 FGADHM C[C@@H](CC(=O)NCc1cc(=O)[n-]c(=S)[nH]1)c1cccc(C(F)(F)F)c1 ZINC000880516511 737182926 /nfs/dbraw/zinc/18/29/26/737182926.db2.gz RPZGIVBTVCMIED-VIFPVBQESA-N -1 3 371.384 3.300 20 0 FGADHM Cc1cnc(Cl)c(S(=O)(=O)[N-][C@H](c2ccccc2)[C@H]2CCOC2)c1 ZINC000885082541 737729632 /nfs/dbraw/zinc/72/96/32/737729632.db2.gz PQDRSSNUAWCROS-GOEBONIOSA-N -1 3 366.870 3.100 20 0 FGADHM CC(C)(C)Oc1cc(F)ccc1NC(=O)NCc1cc(=O)[n-]c(=S)[nH]1 ZINC000887931122 739447348 /nfs/dbraw/zinc/44/73/48/739447348.db2.gz JUMMVBYAPZRURR-UHFFFAOYSA-N -1 3 366.418 3.109 20 0 FGADHM CCOC(=O)c1ccnc([N-]C(=O)c2coc3c2C(=O)CCC3)c1Cl ZINC000892804800 740045341 /nfs/dbraw/zinc/04/53/41/740045341.db2.gz ZVIKBBGJAUICLZ-UHFFFAOYSA-N -1 3 362.769 3.276 20 0 FGADHM CC1CC(C(=O)N2CCCc3c(=O)[n-]cnc32)(c2cccc(Cl)c2)C1 ZINC000893205831 742124224 /nfs/dbraw/zinc/12/42/24/742124224.db2.gz YVANYWUXGKWMIX-UHFFFAOYSA-N -1 3 357.841 3.483 20 0 FGADHM C[C@@H](Sc1nc2ccccc2s1)C(=O)N1CCCc2c(=O)[n-]cnc21 ZINC000893212166 742125286 /nfs/dbraw/zinc/12/52/86/742125286.db2.gz XCFIIZQIRYWWTD-SNVBAGLBSA-N -1 3 372.475 3.252 20 0 FGADHM CC(C)(C)c1nsc(NC(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)n1 ZINC000894161785 742246638 /nfs/dbraw/zinc/24/66/38/742246638.db2.gz JRTJOYZCDMXRLP-UHFFFAOYSA-N -1 3 364.377 3.208 20 0 FGADHM CCOC(=O)c1nnc([C@@H](C)NCc2ccc(C(F)(F)F)cc2C)[n-]1 ZINC000895237435 742390429 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Cc1nc(-c2cccc([N-]S(=O)(=O)C[C@@H]3CCCC(C)(C)O3)c2)no1 ZINC000901608888 743600615 /nfs/dbraw/zinc/60/06/15/743600615.db2.gz AMDTUPSDHVOXBZ-HNNXBMFYSA-N -1 3 365.455 3.134 20 0 FGADHM CC(C)n1cc(Cl)c([N-]S(=O)(=O)CC2Cc3ccccc3C2)n1 ZINC000901715629 743626350 /nfs/dbraw/zinc/62/63/50/743626350.db2.gz UUGBKGKCHXENFP-UHFFFAOYSA-N -1 3 353.875 3.274 20 0 FGADHM CCOc1cc(CN2CCC[C@](COC)(C(=O)[O-])C2)cc(Cl)c1OC ZINC000901864083 743662118 /nfs/dbraw/zinc/66/21/18/743662118.db2.gz CYUMZVGLWZYEDJ-SFHVURJKSA-N -1 3 371.861 3.061 20 0 FGADHM O=C([O-])c1cnn(C2CCN(CCc3ccc(F)cc3Cl)CC2)c1 ZINC000901879396 743665283 /nfs/dbraw/zinc/66/52/83/743665283.db2.gz PBCBJZJVLUWUMZ-UHFFFAOYSA-N -1 3 351.809 3.253 20 0 FGADHM O=C([O-])[C@H]1CSCCN(Cc2cnc(-c3ccccc3F)s2)C1 ZINC000901892641 743669407 /nfs/dbraw/zinc/66/94/07/743669407.db2.gz ZGJHVGAVTNFPPS-LLVKDONJSA-N -1 3 352.456 3.199 20 0 FGADHM Cc1csc(C)c1S(=O)(=O)[N-]c1cc2c(cc1F)NC(=O)CC2 ZINC000901916543 743677151 /nfs/dbraw/zinc/67/71/51/743677151.db2.gz 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C[C@@H]1CCc2ccccc2N1Cc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000060381379 493928482 /nfs/dbraw/zinc/92/84/82/493928482.db2.gz NLFYWJKZJNPTNC-OAHLLOKOSA-N -1 3 371.444 3.450 20 0 FGADHM C[C@@H](COc1cccc(F)c1)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000060509699 493940260 /nfs/dbraw/zinc/94/02/60/493940260.db2.gz NAWOLNBPKSWQGZ-JTQLQIEISA-N -1 3 361.797 3.364 20 0 FGADHM Cc1ccc(NC(=O)c2nn(-c3ccc(F)cc3)cc2[O-])c(CN(C)C)c1 ZINC000081959453 493972774 /nfs/dbraw/zinc/97/27/74/493972774.db2.gz XGAXWNBVYCTWAZ-UHFFFAOYSA-N -1 3 368.412 3.339 20 0 FGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(NC(=O)C2(C)CCCC2)ccc1F ZINC000076921341 493988914 /nfs/dbraw/zinc/98/89/14/493988914.db2.gz IBWTXOKLMBDGSH-UHFFFAOYSA-N -1 3 356.463 3.421 20 0 FGADHM CC(=O)Nc1cccc(C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)c1 ZINC000032468672 493992138 /nfs/dbraw/zinc/99/21/38/493992138.db2.gz PLFSSZYTMXKMAD-UHFFFAOYSA-N -1 3 373.261 3.430 20 0 FGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)[C@H]1C[C@H]1c1c(F)cccc1Cl ZINC000076955921 493996328 /nfs/dbraw/zinc/99/63/28/493996328.db2.gz WOUGHCADHVMXGN-NEPJUHHUSA-N -1 3 357.776 3.401 20 0 FGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)[C@H]1C[C@H]1c1c(F)cccc1Cl ZINC000076955921 493996334 /nfs/dbraw/zinc/99/63/34/493996334.db2.gz WOUGHCADHVMXGN-NEPJUHHUSA-N -1 3 357.776 3.401 20 0 FGADHM Cc1ccccc1Cc1nc(CSc2n[n-]c(-c3ccccn3)n2)no1 ZINC000083092385 493997959 /nfs/dbraw/zinc/99/79/59/493997959.db2.gz LWSOMDNCMWOPSC-UHFFFAOYSA-N -1 3 364.434 3.441 20 0 FGADHM CCn1cnnc1-c1cccc([N-]S(=O)(=O)c2ccc(OC)c(C)c2)c1 ZINC000032594964 493999092 /nfs/dbraw/zinc/99/90/92/493999092.db2.gz LEJYHNMUJSEZFN-UHFFFAOYSA-N -1 3 372.450 3.083 20 0 FGADHM O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)Nc1ncccc1[O-] ZINC000069741729 494005898 /nfs/dbraw/zinc/00/58/98/494005898.db2.gz WHLHWZIPJGPMBE-QGZVFWFLSA-N -1 3 361.401 3.287 20 0 FGADHM O=C(NCc1ccc(Oc2cccnc2)c(F)c1)c1ccc2n[n-]nc2c1 ZINC000062512311 494014627 /nfs/dbraw/zinc/01/46/27/494014627.db2.gz YHRGMHFHXGDXDS-UHFFFAOYSA-N -1 3 363.352 3.214 20 0 FGADHM Cc1ccc(C(=O)N2CCC(NC(=O)Nc3ccc(F)cc3)CC2)c([O-])c1 ZINC000077183724 494028062 /nfs/dbraw/zinc/02/80/62/494028062.db2.gz RYCFDGYTALNNQR-UHFFFAOYSA-N -1 3 371.412 3.266 20 0 FGADHM Cc1ccc([C@H](C)NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])cc1 ZINC000052473340 494029066 /nfs/dbraw/zinc/02/90/66/494029066.db2.gz YNLQGSYVEUQVMN-YJBOKZPZSA-N -1 3 352.434 3.183 20 0 FGADHM Cc1cc(C)c(CNC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])c(C)c1 ZINC000052492693 494030950 /nfs/dbraw/zinc/03/09/50/494030950.db2.gz MXMLBQLHPUOPNT-LJQANCHMSA-N -1 3 366.461 3.238 20 0 FGADHM C[C@@H]1CCCC[C@H]1NC(=O)Cc1nc(=O)c2c3ccccc3sc2[n-]1 ZINC000077251854 494043025 /nfs/dbraw/zinc/04/30/25/494043025.db2.gz JIEAGGBNGTVTJV-DGCLKSJQSA-N -1 3 355.463 3.375 20 0 FGADHM Cc1nn(-c2ccccc2)c(C)c1C[N-]S(=O)(=O)c1ccccc1F ZINC000008059919 494064442 /nfs/dbraw/zinc/06/44/42/494064442.db2.gz QDIAXEYMLGCJML-UHFFFAOYSA-N -1 3 359.426 3.107 20 0 FGADHM CCC[C@@H](C)N(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000052902297 494074281 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FGADHM C[C@@H](N1CCN(Cc2cc([O-])cc(C(F)(F)F)c2)CC1)C(F)(F)F ZINC000577360481 505712716 /nfs/dbraw/zinc/71/27/16/505712716.db2.gz FIWGZPOIALYBMY-SNVBAGLBSA-N -1 3 356.310 3.479 20 0 FGADHM CC(=O)NCc1ccc(S(=O)(=O)[N-][C@@H]2C[C@H](C)CC[C@@H]2C(C)C)s1 ZINC000055245424 494318468 /nfs/dbraw/zinc/31/84/68/494318468.db2.gz PYEWLYFOKHTCKD-DAXOMENPSA-N -1 3 372.556 3.123 20 0 FGADHM CN(C)[C@@H](C[N-]S(=O)(=O)c1ccc(F)cc1Cl)c1ccc(F)cc1 ZINC000055277841 494320998 /nfs/dbraw/zinc/32/09/98/494320998.db2.gz WRZIGIHNHHLLLD-HNNXBMFYSA-N -1 3 374.840 3.199 20 0 FGADHM CCOC(=O)c1ccc(NC(=O)c2ccccc2-n2cccn2)c([O-])c1 ZINC000089543853 494323211 /nfs/dbraw/zinc/32/32/11/494323211.db2.gz UYWXFGQHVNDQQS-UHFFFAOYSA-N -1 3 351.362 3.007 20 0 FGADHM CCS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2Cl)cc1 ZINC000055549441 494358565 /nfs/dbraw/zinc/35/85/65/494358565.db2.gz DIYAZZLJEOCWCZ-UHFFFAOYSA-N -1 3 373.883 3.243 20 0 FGADHM COc1ccc([C@H](C)NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)cc1F ZINC000078776957 494359862 /nfs/dbraw/zinc/35/98/62/494359862.db2.gz VDWCKHLHOQYIDJ-JTQLQIEISA-N -1 3 361.417 3.015 20 0 FGADHM Cc1nc(C)c(CS(=O)(=O)c2nc(C)c(Cc3ccccc3)[n-]2)s1 ZINC000078807867 494365340 /nfs/dbraw/zinc/36/53/40/494365340.db2.gz JITIURVZOUTWLQ-UHFFFAOYSA-N -1 3 361.492 3.356 20 0 FGADHM Cc1nc(C)c(CS(=O)(=O)c2nc(Cc3ccccc3)c(C)[n-]2)s1 ZINC000078807867 494365345 /nfs/dbraw/zinc/36/53/45/494365345.db2.gz JITIURVZOUTWLQ-UHFFFAOYSA-N -1 3 361.492 3.356 20 0 FGADHM COc1ccc(Br)cc1S(=O)(=O)[N-]C[C@@H]1CC=CCC1 ZINC000044572853 494366328 /nfs/dbraw/zinc/36/63/28/494366328.db2.gz ZWFIULYEJUJMBD-LLVKDONJSA-N -1 3 360.273 3.092 20 0 FGADHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(NC(=O)C3CC3)c2)cc1C ZINC000055583267 494366872 /nfs/dbraw/zinc/36/68/72/494366872.db2.gz VFZCIIFQNBUESF-UHFFFAOYSA-N -1 3 374.462 3.461 20 0 FGADHM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cc(C(=O)N(C)C)ccc1Cl ZINC000055585769 494366911 /nfs/dbraw/zinc/36/69/11/494366911.db2.gz BIFPWGQCVYMLHR-UHFFFAOYSA-N -1 3 370.833 3.290 20 0 FGADHM CC(C)Cc1ccc(S(=O)(=O)[N-]c2ccc(CC(=O)N(C)C)cc2)cc1 ZINC000055618304 494373881 /nfs/dbraw/zinc/37/38/81/494373881.db2.gz NEZYUIANHHDTLN-UHFFFAOYSA-N -1 3 374.506 3.317 20 0 FGADHM O=C([O-])[C@H]1CC12CCN(Cc1cncc(OCc3ccccc3)c1)CC2 ZINC000577380518 505717161 /nfs/dbraw/zinc/71/71/61/505717161.db2.gz ASUSCOMHJIHXOM-LJQANCHMSA-N -1 3 352.434 3.347 20 0 FGADHM CC[C@H](C)n1ncc(C(=O)Nc2cc(-c3nccn3C)[n-]n2)c1C1CC1 ZINC000089864854 494384503 /nfs/dbraw/zinc/38/45/03/494384503.db2.gz IOOGTLMGZBAMKR-NSHDSACASA-N -1 3 353.430 3.107 20 0 FGADHM CC[C@H](C)n1ncc(C(=O)Nc2cc(-c3nccn3C)n[n-]2)c1C1CC1 ZINC000089864854 494384505 /nfs/dbraw/zinc/38/45/05/494384505.db2.gz IOOGTLMGZBAMKR-NSHDSACASA-N -1 3 353.430 3.107 20 0 FGADHM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)OC)ccc2C)c(C)c1 ZINC000055663380 494385247 /nfs/dbraw/zinc/38/52/47/494385247.db2.gz RKMAPZPTRMDOLZ-UHFFFAOYSA-N -1 3 363.435 3.290 20 0 FGADHM CC(C)c1ccc(S(=O)(=O)[N-]c2cc(S(C)(=O)=O)ccc2F)cc1 ZINC000044894994 494387249 /nfs/dbraw/zinc/38/72/49/494387249.db2.gz ZMHGMJGLGGIULN-UHFFFAOYSA-N -1 3 371.455 3.153 20 0 FGADHM CCN(Cc1cccc(F)c1)C(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000044915969 494387878 /nfs/dbraw/zinc/38/78/78/494387878.db2.gz WZPWVSHJZNZSHG-GOSISDBHSA-N -1 3 370.424 3.185 20 0 FGADHM COc1cccc(C(=O)NCc2ccc(OCc3ccccn3)cc2)c1[O-] ZINC000078997619 494390769 /nfs/dbraw/zinc/39/07/69/494390769.db2.gz UUXHAYLKPJSXEN-UHFFFAOYSA-N -1 3 364.401 3.305 20 0 FGADHM CC(C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000017301162 494411827 /nfs/dbraw/zinc/41/18/27/494411827.db2.gz IMVOTEKEQIXIOY-UHFFFAOYSA-N -1 3 352.843 3.279 20 0 FGADHM COc1ccc2ncc(C(=O)[O-])c(N3CCC4(CCC(O)CC4)CC3)c2c1 ZINC000574210375 505720856 /nfs/dbraw/zinc/72/08/56/505720856.db2.gz RUCQZIFFKRIQFJ-UHFFFAOYSA-N -1 3 370.449 3.463 20 0 FGADHM Cc1nc(C)c(CCC(=O)Nc2ccccc2OC2CCCC2)c(=O)[n-]1 ZINC000079368538 494441124 /nfs/dbraw/zinc/44/11/24/494441124.db2.gz MZQPOUDYRPIKCK-UHFFFAOYSA-N -1 3 355.438 3.279 20 0 FGADHM CC(C)c1ccc(C(=O)N2CCN(C(=O)C3CCCCC3)CC2)c([O-])c1 ZINC000066941692 494442297 /nfs/dbraw/zinc/44/22/97/494442297.db2.gz RBMYJKFZTGRHDN-UHFFFAOYSA-N -1 3 358.482 3.380 20 0 FGADHM O=S(=O)([N-]Cc1cccc(OCC(F)(F)F)c1)c1cccs1 ZINC000056064119 494449370 /nfs/dbraw/zinc/44/93/70/494449370.db2.gz TUHLYWAMAWOMTF-UHFFFAOYSA-N -1 3 351.371 3.168 20 0 FGADHM Cc1nc(C[N-]S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)cs1 ZINC000056090208 494452456 /nfs/dbraw/zinc/45/24/56/494452456.db2.gz OXAYHMRZGVMZHI-UHFFFAOYSA-N -1 3 368.814 3.185 20 0 FGADHM CCN(Cc1ccc(CN(C)C)cc1)C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000067014960 494456832 /nfs/dbraw/zinc/45/68/32/494456832.db2.gz USYSOYQGXADFRT-UHFFFAOYSA-N -1 3 364.449 3.059 20 0 FGADHM O=S(=O)([N-][C@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1ccc(F)cc1F ZINC000056138143 494460641 /nfs/dbraw/zinc/46/06/41/494460641.db2.gz STIVYLDSBZICOA-DOTOQJQBSA-N -1 3 371.380 3.303 20 0 FGADHM O=C(N[C@@H]1CCC[C@@H](F)C1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000574208192 505720301 /nfs/dbraw/zinc/72/03/01/505720301.db2.gz IXRUBEOFXANIGH-GHMZBOCLSA-N -1 3 367.218 3.301 20 0 FGADHM Cc1cc(O[C@H](C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)ccc1Cl ZINC000020499152 494475210 /nfs/dbraw/zinc/47/52/10/494475210.db2.gz PCNVXALFTNNOTM-LLVKDONJSA-N -1 3 357.801 3.235 20 0 FGADHM Cc1cc(O[C@H](C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)ccc1Cl ZINC000020499152 494475211 /nfs/dbraw/zinc/47/52/11/494475211.db2.gz PCNVXALFTNNOTM-LLVKDONJSA-N -1 3 357.801 3.235 20 0 FGADHM O=C(CCC(=O)N1CCc2sccc2C1)Nc1cc(Cl)ccc1[O-] ZINC000067139011 494482452 /nfs/dbraw/zinc/48/24/52/494482452.db2.gz ROHAMAXQWYYQHB-UHFFFAOYSA-N -1 3 364.854 3.411 20 0 FGADHM CCCS(=O)(=O)Nc1cccc(C(=O)Nc2cc(Cl)ccc2[O-])c1 ZINC000067145611 494483788 /nfs/dbraw/zinc/48/37/88/494483788.db2.gz POAMNZXLEWTXRS-UHFFFAOYSA-N -1 3 368.842 3.450 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(Cl)nc3)c2)n1 ZINC000046065372 494492546 /nfs/dbraw/zinc/49/25/46/494492546.db2.gz YDCVLNDJNLRWLI-UHFFFAOYSA-N -1 3 354.797 3.300 20 0 FGADHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-][C@H](C)c1cccc(C)c1C ZINC000568567898 505723945 /nfs/dbraw/zinc/72/39/45/505723945.db2.gz ZTQZNPYMUVWQIJ-GFCCVEGCSA-N -1 3 365.451 3.339 20 0 FGADHM CO[C@@H](CS(=O)(=O)[N-]c1cccc2c1CN(CCC(C)C)C2)C1CC1 ZINC000571404272 505726012 /nfs/dbraw/zinc/72/60/12/505726012.db2.gz VZPAAJKQMBCMLV-IBGZPJMESA-N -1 3 366.527 3.215 20 0 FGADHM Cc1ccc(-c2csc3[n-]c(CC(=O)N4CCCC4)nc(=O)c23)cc1 ZINC000046438586 494528287 /nfs/dbraw/zinc/52/82/87/494528287.db2.gz GBNAUMKTPMRTHL-UHFFFAOYSA-N -1 3 353.447 3.125 20 0 FGADHM COc1ccc([O-])c(C(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000091154389 494541714 /nfs/dbraw/zinc/54/17/14/494541714.db2.gz ZIEPRWQJDKQRJW-WBVHZDCISA-N -1 3 365.788 3.453 20 0 FGADHM CCCCNS(=O)(=O)c1cccc(NC(=O)c2cc(C)ccc2[O-])c1 ZINC000023308195 494560993 /nfs/dbraw/zinc/56/09/93/494560993.db2.gz PVFZZAUSPBTXLE-UHFFFAOYSA-N -1 3 362.451 3.031 20 0 FGADHM COC(=O)c1cncc(C(=O)Nc2cc(Cc3ccccc3)ccc2[O-])c1 ZINC000091247095 494573010 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CC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3cccc(C)c3Cl)cc21 ZINC000075082007 494684760 /nfs/dbraw/zinc/68/47/60/494684760.db2.gz KTIOCUDPXOAQGP-UHFFFAOYSA-N -1 3 364.854 3.358 20 0 FGADHM O=C(Nc1nnc(-c2ccccn2)[n-]1)c1ccc(Br)cc1F ZINC000047342855 494685572 /nfs/dbraw/zinc/68/55/72/494685572.db2.gz MJBGHSRJRMROGU-UHFFFAOYSA-N -1 3 362.162 3.021 20 0 FGADHM O=C(Nc1nc(-c2ccccn2)n[n-]1)c1ccc(Br)cc1F ZINC000047342855 494685576 /nfs/dbraw/zinc/68/55/76/494685576.db2.gz MJBGHSRJRMROGU-UHFFFAOYSA-N -1 3 362.162 3.021 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)NC[C@@H](C)Oc2ccccc2Cl)c1 ZINC000075161749 494699971 /nfs/dbraw/zinc/69/99/71/494699971.db2.gz MNZJLQPJNOLRFT-LLVKDONJSA-N -1 3 362.813 3.201 20 0 FGADHM CS(=O)(=O)[N-]c1ccc(C(=O)N(CC2CCCCC2)C2CC2)cc1 ZINC000080446687 494705325 /nfs/dbraw/zinc/70/53/25/494705325.db2.gz UDAOAANLOYOXEG-UHFFFAOYSA-N -1 3 350.484 3.243 20 0 FGADHM CC(C)CO[C@@H]1CCN(C(=O)NCc2ccc([O-])c(Br)c2)C1 ZINC000126329090 494711961 /nfs/dbraw/zinc/71/19/61/494711961.db2.gz 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/nfs/dbraw/zinc/74/94/22/494749422.db2.gz LXHCTCDSZOWIFQ-LBPRGKRZSA-N -1 3 353.378 3.250 20 0 FGADHM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3cccc(-c4nccn4C)c3)ccc2O1 ZINC000108638773 494752836 /nfs/dbraw/zinc/75/28/36/494752836.db2.gz GKJRLHNVIUTZCH-CYBMUJFWSA-N -1 3 369.446 3.211 20 0 FGADHM Cc1nc(C)c(CCC(=O)N2CC=C(c3ccccc3Cl)CC2)c(=O)[n-]1 ZINC000092030293 494760928 /nfs/dbraw/zinc/76/09/28/494760928.db2.gz RRYMQPSXZCRIRD-UHFFFAOYSA-N -1 3 371.868 3.289 20 0 FGADHM O=C([O-])CCN(Cc1cnc(-c2cccs2)s1)C1CCOCC1 ZINC000568628531 505740356 /nfs/dbraw/zinc/74/03/56/505740356.db2.gz UDXVPWAWKVNJGF-UHFFFAOYSA-N -1 3 352.481 3.327 20 0 FGADHM Cc1ccc(C(=O)NCCc2nc(-c3ccc(C)c(F)c3)no2)c([O-])c1 ZINC000131907011 494770380 /nfs/dbraw/zinc/77/03/80/494770380.db2.gz NTSXRYFWXJVVJO-UHFFFAOYSA-N -1 3 355.369 3.171 20 0 FGADHM COc1ccc(C(=O)N2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)c([O-])c1 ZINC000092929439 494790552 /nfs/dbraw/zinc/79/05/52/494790552.db2.gz KIAOYOQTHVOLBJ-CRAIPNDOSA-N -1 3 359.397 3.268 20 0 FGADHM O=C([O-])c1cnn(C2CCN(Cc3cccc(OC(F)F)c3)CC2)c1 ZINC000568640058 505742564 /nfs/dbraw/zinc/74/25/64/505742564.db2.gz OJEPIDWHSZOHSR-UHFFFAOYSA-N -1 3 351.353 3.020 20 0 FGADHM CC(C)n1cnc(S(=O)(=O)[N-][C@@H](c2cccc(F)c2)c2ccccn2)c1 ZINC000132074888 494813105 /nfs/dbraw/zinc/81/31/05/494813105.db2.gz CNWAIMCSFLMOLU-SFHVURJKSA-N -1 3 374.441 3.066 20 0 FGADHM Cc1ccc(C[C@H](C)NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])s1 ZINC000132149339 494829113 /nfs/dbraw/zinc/82/91/13/494829113.db2.gz SRCLGYZNHYCBKO-SUMWQHHRSA-N -1 3 372.490 3.114 20 0 FGADHM COCCOc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1 ZINC000026528869 494830372 /nfs/dbraw/zinc/83/03/72/494830372.db2.gz DNFGDPMAHIMZRA-UHFFFAOYSA-N -1 3 359.806 3.305 20 0 FGADHM Cn1ncc2c1CCC[C@@H]2[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000026850426 494841644 /nfs/dbraw/zinc/84/16/44/494841644.db2.gz QRUGTBHTPOQIHD-LBPRGKRZSA-N -1 3 360.266 3.083 20 0 FGADHM Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2ccc(C)cc2[O-])c(C)c1 ZINC000109213034 494847013 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CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)Cc1ccc([O-])cc1Cl ZINC000132399004 494867568 /nfs/dbraw/zinc/86/75/68/494867568.db2.gz ZCZABQZXTJKWGY-UHFFFAOYSA-N -1 3 374.868 3.339 20 0 FGADHM COc1cccc(-c2nc(C(=O)[N-]c3cc4c(cn3)CCCC4)no2)c1 ZINC000580392809 505748412 /nfs/dbraw/zinc/74/84/12/505748412.db2.gz QRSMETSZVQMSOM-UHFFFAOYSA-N -1 3 350.378 3.271 20 0 FGADHM Cc1cc(Cl)cc(NC(=O)c2ccc(CS(C)(=O)=O)cc2)c1[O-] ZINC000116978768 494878717 /nfs/dbraw/zinc/87/87/17/494878717.db2.gz ZBVVVCQGADETNL-UHFFFAOYSA-N -1 3 353.827 3.151 20 0 FGADHM Cc1cc(Cl)cc(NC(=O)c2cccc(CS(C)(=O)=O)c2)c1[O-] ZINC000116979863 494878756 /nfs/dbraw/zinc/87/87/56/494878756.db2.gz SKNXAQGONGGCDI-UHFFFAOYSA-N -1 3 353.827 3.151 20 0 FGADHM C[C@H](CC(=O)[O-])N(C)Cc1cc(Br)ccc1OC(F)F ZINC000568663918 505747788 /nfs/dbraw/zinc/74/77/88/505747788.db2.gz GDGQZUCTMHQAHO-MRVPVSSYSA-N -1 3 352.175 3.346 20 0 FGADHM CC(C)[C@H](Sc1n[n-]c(-c2ccccn2)n1)C(=O)N1CCCC[C@H]1C ZINC000117114015 494891549 /nfs/dbraw/zinc/89/15/49/494891549.db2.gz 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494933912 /nfs/dbraw/zinc/93/39/12/494933912.db2.gz ZIILNOKAYGRFKW-UHFFFAOYSA-N -1 3 367.449 3.381 20 0 FGADHM C[C@H](NC(=O)c1cc(Cc2ccccc2)ccc1[O-])c1nnc2n1CCC2 ZINC000094037444 494941871 /nfs/dbraw/zinc/94/18/71/494941871.db2.gz AFNUJRMDVRQMRT-AWEZNQCLSA-N -1 3 362.433 3.012 20 0 FGADHM Cc1nc(C)c(CCC(=O)NC[C@@H]2CCC(C)(C)c3ccccc32)c(=O)[n-]1 ZINC000094101967 494949563 /nfs/dbraw/zinc/94/95/63/494949563.db2.gz CRPRRHHHFIQHCM-INIZCTEOSA-N -1 3 367.493 3.291 20 0 FGADHM CN(C)S(=O)(=O)c1ccsc1C(=O)[N-]c1ccc(F)cc1Cl ZINC000110160188 494954325 /nfs/dbraw/zinc/95/43/25/494954325.db2.gz SNAHWKRFTKKHBK-UHFFFAOYSA-N -1 3 362.835 3.043 20 0 FGADHM C[C@H]1CN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])c2ccccc21 ZINC000095357423 494962186 /nfs/dbraw/zinc/96/21/86/494962186.db2.gz FDMGGLOHOWEZMK-KBXCAEBGSA-N -1 3 350.418 3.147 20 0 FGADHM O=C(Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)c1ccc2c(c1)CCC2 ZINC000133102684 494969758 /nfs/dbraw/zinc/96/97/58/494969758.db2.gz SRAXYDUOAQHCJD-UHFFFAOYSA-N -1 3 374.437 3.007 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)c(F)c2)cc1C ZINC000118161381 494979176 /nfs/dbraw/zinc/97/91/76/494979176.db2.gz LHROXKNOOJNWIT-UHFFFAOYSA-N -1 3 361.398 3.129 20 0 FGADHM O=S(=O)([N-]CCC[C@H]1CCCC[C@H]1O)c1ccccc1C(F)(F)F ZINC000127702499 494984228 /nfs/dbraw/zinc/98/42/28/494984228.db2.gz RBXCVKRENHEECK-TZMCWYRMSA-N -1 3 365.417 3.315 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H]2COc2ccccc2)c1 ZINC000122499608 494985363 /nfs/dbraw/zinc/98/53/63/494985363.db2.gz GSLSCDJLQZVMPO-INIZCTEOSA-N -1 3 354.406 3.034 20 0 FGADHM Cc1ccc([O-])c(C(=O)NCc2cccc(COC3CCOCC3)c2)c1 ZINC000110562194 494988564 /nfs/dbraw/zinc/98/85/64/494988564.db2.gz GUHZYRBYEMPJLN-UHFFFAOYSA-N -1 3 355.434 3.326 20 0 FGADHM Cc1ccc(NC(=O)[C@@H](C(C)C)S(=O)(=O)C2CCCCC2)c([O-])c1 ZINC000122553205 494993219 /nfs/dbraw/zinc/99/32/19/494993219.db2.gz QPZCZILOSLUTEO-QGZVFWFLSA-N -1 3 353.484 3.411 20 0 FGADHM CC(C)(C(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1Cl ZINC000110786346 495009587 /nfs/dbraw/zinc/00/95/87/495009587.db2.gz TXMRCNCQSNIIHJ-UHFFFAOYSA-N -1 3 355.829 3.114 20 0 FGADHM CC(C)(C(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1Cl ZINC000110786346 495009590 /nfs/dbraw/zinc/00/95/90/495009590.db2.gz TXMRCNCQSNIIHJ-UHFFFAOYSA-N -1 3 355.829 3.114 20 0 FGADHM Cc1csc([C@H](C)[N-]S(=O)(=O)c2cc3c(c(Cl)c2)O[C@H](C)C3)n1 ZINC000128107644 495045738 /nfs/dbraw/zinc/04/57/38/495045738.db2.gz HGVFWSVBFNHJSY-ZJUUUORDSA-N -1 3 372.899 3.468 20 0 FGADHM CCCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)Cc2ccc([O-])cc2Cl)C1 ZINC000122977841 495062189 /nfs/dbraw/zinc/06/21/89/495062189.db2.gz NIYUGCDWUUXIAN-DZGCQCFKSA-N -1 3 366.889 3.132 20 0 FGADHM COc1ccccc1OC[C@@H](C)CNC(=O)NCc1ccc([O-])c(F)c1 ZINC000133841222 495068988 /nfs/dbraw/zinc/06/89/88/495068988.db2.gz JXVLIEQRMPOOAO-ZDUSSCGKSA-N -1 3 362.401 3.054 20 0 FGADHM Cc1cc(C)n2nc(C(=O)[N-]c3nc(-c4ccccc4F)cs3)nc2n1 ZINC000133875197 495073298 /nfs/dbraw/zinc/07/32/98/495073298.db2.gz UTACTHRWDGJUTP-UHFFFAOYSA-N -1 3 368.397 3.256 20 0 FGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCCc3occc32)c(Cl)c1 ZINC000101570650 495079569 /nfs/dbraw/zinc/07/95/69/495079569.db2.gz SYBRXGWLRRSSOE-CYBMUJFWSA-N -1 3 369.826 3.076 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1ccc2c(c1)CCC2)c1noc(-c2ccccc2)n1 ZINC000128325255 495079633 /nfs/dbraw/zinc/07/96/33/495079633.db2.gz TXMHZHGPDNQVSE-CYBMUJFWSA-N -1 3 369.446 3.265 20 0 FGADHM COc1cccc(C(=O)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)c1[O-] ZINC000101841474 495102266 /nfs/dbraw/zinc/10/22/66/495102266.db2.gz FFWNFBUFWBKDCN-UHFFFAOYSA-N -1 3 372.396 3.031 20 0 FGADHM COc1cccc(C(=O)Nc2ccc(-c3n[nH]c(C4CC4)n3)cc2)c1[O-] ZINC000101843360 495102963 /nfs/dbraw/zinc/10/29/63/495102963.db2.gz ZOGCONCTLXRITI-UHFFFAOYSA-N -1 3 350.378 3.316 20 0 FGADHM COC(=O)c1c(C)nc(=O)[n-]c1SCCCc1ccc(Cl)cc1 ZINC000119196306 495115542 /nfs/dbraw/zinc/11/55/42/495115542.db2.gz GOKIXLGYEDEBQM-UHFFFAOYSA-N -1 3 352.843 3.243 20 0 FGADHM Cc1cn(-c2ccccc2Cl)nc1C(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000119204034 495117394 /nfs/dbraw/zinc/11/73/94/495117394.db2.gz HHSFRHOCOFWLKK-UHFFFAOYSA-N -1 3 368.784 3.465 20 0 FGADHM Cc1cn(-c2ccccc2Cl)nc1C(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000119204034 495117396 /nfs/dbraw/zinc/11/73/96/495117396.db2.gz HHSFRHOCOFWLKK-UHFFFAOYSA-N -1 3 368.784 3.465 20 0 FGADHM Cc1cn(-c2ccccc2Cl)nc1C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000119204034 495117399 /nfs/dbraw/zinc/11/73/99/495117399.db2.gz HHSFRHOCOFWLKK-UHFFFAOYSA-N -1 3 368.784 3.465 20 0 FGADHM CCOC(=O)c1cc(NC(=O)c2cc(C)cc(C)c2Br)n[n-]1 ZINC000128629641 495126964 /nfs/dbraw/zinc/12/69/64/495126964.db2.gz OCCLWIKNDDOKNV-UHFFFAOYSA-N -1 3 366.215 3.218 20 0 FGADHM CCOC(=O)c1cc(NC(=O)c2cc(C)cc(C)c2Br)[n-]n1 ZINC000128629641 495126970 /nfs/dbraw/zinc/12/69/70/495126970.db2.gz OCCLWIKNDDOKNV-UHFFFAOYSA-N -1 3 366.215 3.218 20 0 FGADHM COc1ccc([O-])c(C(=O)Nc2cccc(CN3CCCCC3=O)c2)c1 ZINC000123482938 495139013 /nfs/dbraw/zinc/13/90/13/495139013.db2.gz VGMDNEAGZXQNAU-UHFFFAOYSA-N -1 3 354.406 3.166 20 0 FGADHM Cn1ccnc1-c1cc(NC(=O)CCc2ccccc2Br)n[n-]1 ZINC000119315137 495140709 /nfs/dbraw/zinc/14/07/09/495140709.db2.gz HNIHGHSESOHYLH-UHFFFAOYSA-N -1 3 374.242 3.144 20 0 FGADHM Cn1ccnc1-c1cc(NC(=O)CCc2ccccc2Br)[n-]n1 ZINC000119315137 495140711 /nfs/dbraw/zinc/14/07/11/495140711.db2.gz HNIHGHSESOHYLH-UHFFFAOYSA-N -1 3 374.242 3.144 20 0 FGADHM O=C(Nc1nnc(C=Cc2ccco2)s1)c1c[n-]c2ccccc2c1=O ZINC000134460674 495152947 /nfs/dbraw/zinc/15/29/47/495152947.db2.gz KOFCOLWYGCVJQN-BQYQJAHWSA-N -1 3 364.386 3.395 20 0 FGADHM O=C(Nc1nnc(C=Cc2ccco2)s1)c1cnc2ccccc2c1[O-] ZINC000134460674 495152948 /nfs/dbraw/zinc/15/29/48/495152948.db2.gz KOFCOLWYGCVJQN-BQYQJAHWSA-N -1 3 364.386 3.395 20 0 FGADHM CCCCn1nccc1NC(=O)c1ccc([N-]S(=O)(=O)CCC)cc1 ZINC000102753435 495159208 /nfs/dbraw/zinc/15/92/08/495159208.db2.gz JOUXEXWGRSQUFW-UHFFFAOYSA-N -1 3 364.471 3.087 20 0 FGADHM CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(F)F)cc2)c(Cl)c1 ZINC000577612925 505764664 /nfs/dbraw/zinc/76/46/64/505764664.db2.gz ZFCVFVHOFHUFBM-UHFFFAOYSA-N 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495199125 /nfs/dbraw/zinc/19/91/25/495199125.db2.gz XPCBACUSYGRDOD-WBMJQRKESA-N -1 3 371.861 3.058 20 0 FGADHM CCC(CC)(NC(=O)Cc1c(C)nc(C)[n-]c1=O)c1ccc(Cl)cc1 ZINC000103251566 495208779 /nfs/dbraw/zinc/20/87/79/495208779.db2.gz BVNYTWKBOCHIOL-UHFFFAOYSA-N -1 3 361.873 3.414 20 0 FGADHM CCC[C@H](NC(=O)CCc1c(C)nc(C)[n-]c1=O)c1ccc(F)cc1F ZINC000123946649 495210419 /nfs/dbraw/zinc/21/04/19/495210419.db2.gz VWZXFZJRGNBWQS-KRWDZBQOSA-N -1 3 363.408 3.255 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)[C@H](O)Cc1ccccc1 ZINC000129255354 495218496 /nfs/dbraw/zinc/21/84/96/495218496.db2.gz MKZNRFWUIXWNAH-BXUZGUMPSA-N -1 3 374.289 3.264 20 0 FGADHM COc1ccccc1[C@H](NC(=O)c1ccc(O)cc1[O-])c1ccccn1 ZINC000129255071 495218994 /nfs/dbraw/zinc/21/89/94/495218994.db2.gz OJGYDRYOJGXPRV-IBGZPJMESA-N -1 3 350.374 3.021 20 0 FGADHM Cn1ccnc1-c1cc(NC(=O)c2ccc(F)cc2C(F)(F)F)n[n-]1 ZINC000119690320 495220012 /nfs/dbraw/zinc/22/00/12/495220012.db2.gz LSJIOOYFXPXCCK-UHFFFAOYSA-N -1 3 353.279 3.220 20 0 FGADHM Cn1ccnc1-c1cc(NC(=O)c2ccc(F)cc2C(F)(F)F)[n-]n1 ZINC000119690320 495220013 /nfs/dbraw/zinc/22/00/13/495220013.db2.gz LSJIOOYFXPXCCK-UHFFFAOYSA-N -1 3 353.279 3.220 20 0 FGADHM Cc1cnc([C@@H](C)[N-]S(=O)(=O)c2sccc2Br)s1 ZINC000134940300 495227969 /nfs/dbraw/zinc/22/79/69/495227969.db2.gz RRNJHLKYZRODDM-SSDOTTSWSA-N -1 3 367.315 3.315 20 0 FGADHM O=C(Nc1cccc([O-])c1F)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000129328230 495230175 /nfs/dbraw/zinc/23/01/75/495230175.db2.gz JYVTXRSWZQCUKV-UHFFFAOYSA-N -1 3 363.410 3.500 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-]Cc1ccc(C)cc1OC(C)C ZINC000124184638 495247356 /nfs/dbraw/zinc/24/73/56/495247356.db2.gz NSSOJFBSEMZWEY-UHFFFAOYSA-N -1 3 355.481 3.331 20 0 FGADHM O=C(N[C@@H](C[C@@H]1CCOC1)c1ccccc1)c1c[n-]c2ccccc2c1=O ZINC000119824838 495249941 /nfs/dbraw/zinc/24/99/41/495249941.db2.gz QIMXPTFYRNKHCB-YWZLYKJASA-N -1 3 362.429 3.426 20 0 FGADHM C[C@@H](Oc1ccc(F)cc1Cl)C(=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000112877646 495251539 /nfs/dbraw/zinc/25/15/39/495251539.db2.gz BGVUWINJTJKDLE-SECBINFHSA-N -1 3 361.764 3.065 20 0 FGADHM C[C@@H](Oc1ccc(F)cc1Cl)C(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000112877646 495251542 /nfs/dbraw/zinc/25/15/42/495251542.db2.gz BGVUWINJTJKDLE-SECBINFHSA-N -1 3 361.764 3.065 20 0 FGADHM C[C@@H](Oc1ccc(F)cc1Cl)C(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000112877646 495251547 /nfs/dbraw/zinc/25/15/47/495251547.db2.gz BGVUWINJTJKDLE-SECBINFHSA-N -1 3 361.764 3.065 20 0 FGADHM CC1(C)Cc2ccc(C(=O)N3CCC(C4CCOCC4)CC3)c([O-])c2O1 ZINC000124247756 495257433 /nfs/dbraw/zinc/25/74/33/495257433.db2.gz ORBDVMDIBNXBDL-UHFFFAOYSA-N -1 3 359.466 3.385 20 0 FGADHM COc1ccc(C(F)(F)C(=O)[N-][C@@H](c2nnc(C)[nH]2)c2ccccc2)cc1 ZINC000129524421 495257438 /nfs/dbraw/zinc/25/74/38/495257438.db2.gz UFSQQASMMASGIN-MRXNPFEDSA-N -1 3 372.375 3.119 20 0 FGADHM CCOc1ccccc1[C@@H](CC(=O)Nc1cccc([O-])c1F)NC(C)=O ZINC000129550576 495260950 /nfs/dbraw/zinc/26/09/50/495260950.db2.gz ZAOZYBXNMBSNBB-OAHLLOKOSA-N -1 3 360.385 3.136 20 0 FGADHM Cn1ccnc1-c1cc(NC(=O)Cc2ccc(Cl)c(Cl)c2)n[n-]1 ZINC000119899962 495265708 /nfs/dbraw/zinc/26/57/08/495265708.db2.gz XYWIEVGSDONHBW-UHFFFAOYSA-N -1 3 350.209 3.298 20 0 FGADHM Cn1ccnc1-c1cc(NC(=O)Cc2ccc(Cl)c(Cl)c2)[n-]n1 ZINC000119899962 495265713 /nfs/dbraw/zinc/26/57/13/495265713.db2.gz XYWIEVGSDONHBW-UHFFFAOYSA-N -1 3 350.209 3.298 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-]CC1(Cc2ccccc2)CCC1 ZINC000124304855 495266195 /nfs/dbraw/zinc/26/61/95/495266195.db2.gz KHPCMEXNFDSDPV-UHFFFAOYSA-N -1 3 351.493 3.448 20 0 FGADHM CSc1ccc(N2C[C@@H](C(=O)Nc3ccc([O-])cc3F)CC2=O)cc1 ZINC000124320653 495269259 /nfs/dbraw/zinc/26/92/59/495269259.db2.gz NABSFUOBOZJXQT-NSHDSACASA-N -1 3 360.410 3.245 20 0 FGADHM CC(C)(C)c1ccc([O-])c(NC(=O)C(=O)NCCCc2ccccc2)c1 ZINC000104137951 495269354 /nfs/dbraw/zinc/26/93/54/495269354.db2.gz XRQYTBRSSDSSPA-UHFFFAOYSA-N -1 3 354.450 3.377 20 0 FGADHM CC[C@H](NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)c1ccccc1OC(F)F ZINC000104144049 495270179 /nfs/dbraw/zinc/27/01/79/495270179.db2.gz 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COc1ccc([O-])c(C(=O)N2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)c1 ZINC000171207421 495770410 /nfs/dbraw/zinc/77/04/10/495770410.db2.gz MFKPTWKROBMWAL-QGZVFWFLSA-N -1 3 365.788 3.407 20 0 FGADHM CSCc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])cc1 ZINC000171213341 495772594 /nfs/dbraw/zinc/77/25/94/495772594.db2.gz BQORBFWMWAMRSO-QGZVFWFLSA-N -1 3 370.474 3.499 20 0 FGADHM COc1cccc([C@H]2C[C@@H]2C(=O)Nc2cc(C)ccc2[N-]S(C)(=O)=O)c1 ZINC000173977785 495773216 /nfs/dbraw/zinc/77/32/16/495773216.db2.gz DUTQYKXDEFOOBU-CVEARBPZSA-N -1 3 374.462 3.117 20 0 FGADHM CO[C@@H](C[N-]S(=O)(=O)Cc1ccccc1F)c1cccc(Cl)c1 ZINC000173986445 495777631 /nfs/dbraw/zinc/77/76/31/495777631.db2.gz IMKCLGKSSQENKJ-INIZCTEOSA-N -1 3 357.834 3.286 20 0 FGADHM C[C@@H](NC(=O)c1ccc(O)cc1[O-])c1noc(-c2ccc(Cl)cc2)n1 ZINC000176773423 495778854 /nfs/dbraw/zinc/77/88/54/495778854.db2.gz UXDGESOIAOELMZ-SECBINFHSA-N -1 3 359.769 3.292 20 0 FGADHM CN(C)C(=O)CC(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000179933255 495789971 /nfs/dbraw/zinc/78/99/71/495789971.db2.gz FDUGHMRYSHPEOR-UHFFFAOYSA-N -1 3 355.419 3.086 20 0 FGADHM CC[C@@H](C)CN(CC)C(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000183025884 495803412 /nfs/dbraw/zinc/80/34/12/495803412.db2.gz ITVRCFIVOSFYHV-GFCCVEGCSA-N -1 3 359.426 3.449 20 0 FGADHM COc1c(C)cc(S(=O)(=O)[N-]c2cccc(N(C)C(C)=O)c2)cc1C ZINC000174055107 495803867 /nfs/dbraw/zinc/80/38/67/495803867.db2.gz LFZHAXXFTLOMIL-UHFFFAOYSA-N -1 3 362.451 3.096 20 0 FGADHM Cc1nc(C)c(S(=O)(=O)[N-][C@@H]2CCCOc3c(F)cccc32)s1 ZINC000179978532 495809172 /nfs/dbraw/zinc/80/91/72/495809172.db2.gz KWHWLVQMTUUJAE-CYBMUJFWSA-N -1 3 356.444 3.091 20 0 FGADHM CN(Cc1nccn1Cc1ccccc1)C(=O)Cc1ccc([O-])cc1Cl ZINC000155072558 495825501 /nfs/dbraw/zinc/82/55/01/495825501.db2.gz WVOLZZPAWRRBMT-UHFFFAOYSA-N -1 3 369.852 3.492 20 0 FGADHM COc1cc(OC)cc([C@H](C(=O)[O-])N2CCC(OC3CCCC3)CC2)c1 ZINC000577856598 505806361 /nfs/dbraw/zinc/80/63/61/505806361.db2.gz CQRYARAFTCEPPX-LJQANCHMSA-N -1 3 363.454 3.253 20 0 FGADHM Cc1ccc(OCCCC(=O)Nc2ccc(-c3nnn[n-]3)cc2)c(C)c1 ZINC000160086397 495880771 /nfs/dbraw/zinc/88/07/71/495880771.db2.gz JIIDVGZXIYUYPV-UHFFFAOYSA-N -1 3 351.410 3.281 20 0 FGADHM Cc1ccc(OCCCC(=O)Nc2ccc(-c3nn[n-]n3)cc2)c(C)c1 ZINC000160086397 495880774 /nfs/dbraw/zinc/88/07/74/495880774.db2.gz JIIDVGZXIYUYPV-UHFFFAOYSA-N -1 3 351.410 3.281 20 0 FGADHM Cc1cc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)nn1-c1cc(C)cc(C)c1 ZINC000180152381 495881723 /nfs/dbraw/zinc/88/17/23/495881723.db2.gz FRVRUTZGNFCRRF-UHFFFAOYSA-N -1 3 364.331 3.187 20 0 FGADHM Cc1cc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)nn1-c1cc(C)cc(C)c1 ZINC000180152381 495881728 /nfs/dbraw/zinc/88/17/28/495881728.db2.gz FRVRUTZGNFCRRF-UHFFFAOYSA-N -1 3 364.331 3.187 20 0 FGADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCC1CCC1 ZINC000183237883 495892831 /nfs/dbraw/zinc/89/28/31/495892831.db2.gz QLTLOQIMYDFOEA-IBGZPJMESA-N -1 3 352.434 3.170 20 0 FGADHM COc1cccc(OC)c1S(=O)(=O)[N-][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000186231742 495907084 /nfs/dbraw/zinc/90/70/84/495907084.db2.gz YIAYCPKQVGMVLN-GHMZBOCLSA-N -1 3 367.389 3.103 20 0 FGADHM O=C(Nc1ccc([O-])cc1F)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000183280761 495914918 /nfs/dbraw/zinc/91/49/18/495914918.db2.gz ACOZCKIBCOLUAR-CYBMUJFWSA-N -1 3 360.360 3.161 20 0 FGADHM CCO[C@@H]1C[C@@H](NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)C12CCCC2 ZINC000155324228 495919479 /nfs/dbraw/zinc/91/94/79/495919479.db2.gz TUWUSDKUACJUSD-IAGOWNOFSA-N -1 3 372.440 3.443 20 0 FGADHM CN(Cc1cc([O-])cc(F)c1)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000186271278 495922249 /nfs/dbraw/zinc/92/22/49/495922249.db2.gz DISOARWEARTHGY-OAHLLOKOSA-N -1 3 355.818 3.145 20 0 FGADHM C[C@@H]1CCN(C(=O)c2csc(-c3cnccn3)n2)c2c([O-])cccc21 ZINC000186282340 495927281 /nfs/dbraw/zinc/92/72/81/495927281.db2.gz FRZPVFXJRKJFKD-LLVKDONJSA-N -1 3 352.419 3.460 20 0 FGADHM C[C@@H]1CCN(C(=O)CCCNC(=O)c2ccccc2)c2c([O-])cccc21 ZINC000186299876 495935509 /nfs/dbraw/zinc/93/55/09/495935509.db2.gz FACUSVBIJATMJS-OAHLLOKOSA-N -1 3 352.434 3.443 20 0 FGADHM COCCCCS(=O)(=O)[N-]c1ccccc1OCCc1ccccc1 ZINC000580683076 505812804 /nfs/dbraw/zinc/81/28/04/505812804.db2.gz NXVXCSOHZPOHLW-UHFFFAOYSA-N -1 3 363.479 3.476 20 0 FGADHM Cc1ccc(C(=O)N2CC[C@@H](C)c3cccc([O-])c32)cc1S(C)(=O)=O ZINC000186338274 495954243 /nfs/dbraw/zinc/95/42/43/495954243.db2.gz SOJALDAGWMWFDT-GFCCVEGCSA-N -1 3 359.447 3.258 20 0 FGADHM O=C([N-]c1nnc(-c2cccc(Cl)c2)s1)c1cnn2ncccc12 ZINC000568949298 505815069 /nfs/dbraw/zinc/81/50/69/505815069.db2.gz WLOZELXKMFHKGD-UHFFFAOYSA-N -1 3 356.798 3.154 20 0 FGADHM Cc1cccc(C)c1OCCNC(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000155567922 495998412 /nfs/dbraw/zinc/99/84/12/495998412.db2.gz FBKUKXXSVZGKHJ-UHFFFAOYSA-N -1 3 368.408 3.401 20 0 FGADHM C[C@H]1CCCCN(C(=O)Cc2csc(NC(=O)c3cccc([O-])c3)n2)C1 ZINC000186454170 496004226 /nfs/dbraw/zinc/00/42/26/496004226.db2.gz AOXDGSVUENIILP-ZDUSSCGKSA-N -1 3 373.478 3.292 20 0 FGADHM CC(C)(C)O[C@@H](C(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000151963604 496006667 /nfs/dbraw/zinc/00/66/67/496006667.db2.gz WGRADNNQJOGELF-MRXNPFEDSA-N -1 3 351.410 3.362 20 0 FGADHM CC(C)(C)O[C@@H](C(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000151963604 496006670 /nfs/dbraw/zinc/00/66/70/496006670.db2.gz WGRADNNQJOGELF-MRXNPFEDSA-N -1 3 351.410 3.362 20 0 FGADHM Cc1nc(-c2cnn(C)c2)sc1C(=O)N1CCCc2cccc([O-])c21 ZINC000155643273 496022586 /nfs/dbraw/zinc/02/25/86/496022586.db2.gz PHTSRDRTIIKZGC-UHFFFAOYSA-N -1 3 354.435 3.151 20 0 FGADHM CC(=O)N(C)c1cccc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)c1 ZINC000155721174 496046217 /nfs/dbraw/zinc/04/62/17/496046217.db2.gz NKWMJKFVPBNLHS-UHFFFAOYSA-N -1 3 367.380 3.211 20 0 FGADHM O=S(=O)([N-]C[C@@H]1CCCOC1)c1cc(Cl)ccc1OCCC1CC1 ZINC000186576244 496053709 /nfs/dbraw/zinc/05/37/09/496053709.db2.gz JKMQFVVKDYPIGW-AWEZNQCLSA-N -1 3 373.902 3.224 20 0 FGADHM O=S(=O)([N-][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)c1cc(Cl)ccc1Cl ZINC000155823373 496079247 /nfs/dbraw/zinc/07/92/47/496079247.db2.gz CJJFYGOCUIWASS-HONMWMINSA-N -1 3 362.278 3.229 20 0 FGADHM Cc1ccc(CN2CC[C@H](CN(C)C(=O)c3c([O-])cccc3F)C2)s1 ZINC000580719822 505822557 /nfs/dbraw/zinc/82/25/57/505822557.db2.gz QJXHUXADVUCXPK-CQSZACIVSA-N -1 3 362.470 3.495 20 0 FGADHM O=C(NCc1nc(COc2ccccc2)n[nH]1)c1ccc2ccccc2c1[O-] ZINC000186660077 496095160 /nfs/dbraw/zinc/09/51/60/496095160.db2.gz ILIFBSZDUCLUMX-UHFFFAOYSA-N -1 3 374.400 3.173 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]c2cccc(N3CCOC3=O)c2C)c(C)c1 ZINC000174773673 496100554 /nfs/dbraw/zinc/10/05/54/496100554.db2.gz MGHAWWWYWUFJTO-UHFFFAOYSA-N -1 3 360.435 3.369 20 0 FGADHM CCc1nn(C)c(Cl)c1C(=O)[N-]c1nnc(-c2ccsc2)s1 ZINC000155909198 496103912 /nfs/dbraw/zinc/10/39/12/496103912.db2.gz JIQQTHUEIROFCP-UHFFFAOYSA-N -1 3 353.860 3.468 20 0 FGADHM CN(C(=O)c1ccccc1[O-])[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000186678578 496104289 /nfs/dbraw/zinc/10/42/89/496104289.db2.gz YOODTBKNOYPTAV-HZPDHXFCSA-N -1 3 352.217 3.429 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)NCc2ccccc2OCC2CC2)c1 ZINC000156043970 496141562 /nfs/dbraw/zinc/14/15/62/496141562.db2.gz QGLAAPLEFBAYKQ-UHFFFAOYSA-N -1 3 354.406 3.069 20 0 FGADHM O=C(NCc1cccc(OCC(F)(F)F)c1)NCc1ccc([O-])c(F)c1 ZINC000156074338 496150371 /nfs/dbraw/zinc/15/03/71/496150371.db2.gz TWTOYUZOFSHWIQ-UHFFFAOYSA-N -1 3 372.318 3.472 20 0 FGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc3c4c(cccc42)CC3)c(C)o1 ZINC000177732267 496176032 /nfs/dbraw/zinc/17/60/32/496176032.db2.gz LMKOFFDVAHEZMX-UHFFFAOYSA-N -1 3 370.430 3.000 20 0 FGADHM Cn1cc([C@H](NC(=O)Cc2ccc([O-])cc2Cl)c2ccc(F)cc2)cn1 ZINC000186852247 496180960 /nfs/dbraw/zinc/18/09/60/496180960.db2.gz VMHZXLGEYCDQAK-LJQANCHMSA-N -1 3 373.815 3.367 20 0 FGADHM Cc1nc(S(=O)(=O)CCC(=O)Nc2ccccc2)[n-]c1-c1ccccc1 ZINC000186854156 496182310 /nfs/dbraw/zinc/18/23/10/496182310.db2.gz KBEGHVJGLBIDLC-UHFFFAOYSA-N -1 3 369.446 3.188 20 0 FGADHM Cc1[n-]c(S(=O)(=O)CCC(=O)Nc2ccccc2)nc1-c1ccccc1 ZINC000186854156 496182313 /nfs/dbraw/zinc/18/23/13/496182313.db2.gz KBEGHVJGLBIDLC-UHFFFAOYSA-N -1 3 369.446 3.188 20 0 FGADHM CN(Cc1nc(C(F)(F)F)cs1)Cc1nc2ccsc2c(=O)[n-]1 ZINC000174970001 496187508 /nfs/dbraw/zinc/18/75/08/496187508.db2.gz RSNFQVPLFDVSNS-UHFFFAOYSA-N -1 3 360.386 3.092 20 0 FGADHM O=C(CS(=O)(=O)c1cccc([O-])c1)N[C@@H](c1ccccc1)C1CCCC1 ZINC000183982840 496187676 /nfs/dbraw/zinc/18/76/76/496187676.db2.gz RYUMOBVPQUVMEU-FQEVSTJZSA-N -1 3 373.474 3.214 20 0 FGADHM C[C@@H](NC(=O)Cc1ccc([O-])cc1Cl)c1ccc(-n2ccnn2)cc1 ZINC000152578734 496193337 /nfs/dbraw/zinc/19/33/37/496193337.db2.gz SARAIMBXRKXSEC-GFCCVEGCSA-N -1 3 356.813 3.046 20 0 FGADHM Cc1cc(-c2ncccc2NC(=O)CCc2c(C)nc(C)[n-]c2=O)cs1 ZINC000186886935 496196172 /nfs/dbraw/zinc/19/61/72/496196172.db2.gz AJIQFKPBBBAMFD-UHFFFAOYSA-N -1 3 368.462 3.390 20 0 FGADHM CCOCc1ccc(C[N-]S(=O)(=O)c2ccccc2SC)cc1 ZINC000186932562 496217288 /nfs/dbraw/zinc/21/72/88/496217288.db2.gz DSEXLXUCJKFXSB-UHFFFAOYSA-N -1 3 351.493 3.424 20 0 FGADHM CCSc1cccc(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)c1 ZINC000156378357 496228361 /nfs/dbraw/zinc/22/83/61/496228361.db2.gz IJPRJVQPJYKMHA-UHFFFAOYSA-N -1 3 350.465 3.422 20 0 FGADHM C[C@H]1CCCN1C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000184091814 496233361 /nfs/dbraw/zinc/23/33/61/496233361.db2.gz UNNPFEGHABAGKQ-KXBFYZLASA-N -1 3 352.434 3.264 20 0 FGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(-c2nc(C)cs2)cc1 ZINC000175097088 496245674 /nfs/dbraw/zinc/24/56/74/496245674.db2.gz CJIVIOHIDWVPGG-UHFFFAOYSA-N -1 3 372.475 3.484 20 0 FGADHM COc1ccc([O-])c(C(=O)N[C@H](C)c2c(C)nn(CC(F)(F)F)c2C)c1 ZINC000181024982 496245861 /nfs/dbraw/zinc/24/58/61/496245861.db2.gz HQRPTRGRSHFSKI-SECBINFHSA-N -1 3 371.359 3.267 20 0 FGADHM CC(C)(C)OC(=O)Cc1ccccc1NC(=O)c1ccc2n[n-]nc2c1 ZINC000175151138 496267241 /nfs/dbraw/zinc/26/72/41/496267241.db2.gz MXZBXCPVZQOLIJ-UHFFFAOYSA-N -1 3 352.394 3.094 20 0 FGADHM CCc1cccc(Oc2ccc([N-]S(=O)(=O)C[C@H]3CCCO3)cn2)c1 ZINC000172366141 496269808 /nfs/dbraw/zinc/26/98/08/496269808.db2.gz LTHIAEYKJDUDII-QGZVFWFLSA-N -1 3 362.451 3.357 20 0 FGADHM O=S(=O)(C[C@H]1CCCO1)[N-]c1cccc(COc2cccc(F)c2)c1 ZINC000172365653 496270009 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353.426 3.341 20 0 FGADHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]c1c(F)cccc1Cl ZINC000181367055 496369708 /nfs/dbraw/zinc/36/97/08/496369708.db2.gz CKXWRXVHPRYVHY-UHFFFAOYSA-N -1 3 361.778 3.276 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)[C@@H]3CCCc4sccc43)[n-]c21 ZINC000162535703 496369772 /nfs/dbraw/zinc/36/97/72/496369772.db2.gz BZBDXZMGFIEPKW-LLVKDONJSA-N -1 3 355.419 3.470 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@@H]3CCCc4sccc43)nc21 ZINC000162535703 496369776 /nfs/dbraw/zinc/36/97/76/496369776.db2.gz BZBDXZMGFIEPKW-LLVKDONJSA-N -1 3 355.419 3.470 20 0 FGADHM COc1ccc([O-])c(C(=O)Nc2cccn(Cc3ccc(C)cc3)c2=O)c1 ZINC000162559062 496373046 /nfs/dbraw/zinc/37/30/46/496373046.db2.gz REWBBVOECXFTHK-UHFFFAOYSA-N -1 3 364.401 3.172 20 0 FGADHM Cc1cc(C(=O)N2CCCC2)ccc1NC([O-])=NOCCC(F)(F)F ZINC000156969075 496375525 /nfs/dbraw/zinc/37/55/25/496375525.db2.gz AQQHLIDUBUYECP-UHFFFAOYSA-N -1 3 359.348 3.237 20 0 FGADHM Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)[N-]OCCC(F)(F)F ZINC000156969075 496375528 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RMNDXVDOMONMPU-UHFFFAOYSA-N -1 3 357.373 3.463 20 0 FGADHM O=C(Nc1ccccc1)c1ccc(NC(=O)c2cccc3n[n-]nc32)cc1 ZINC000187605825 496507470 /nfs/dbraw/zinc/50/74/70/496507470.db2.gz RMNDXVDOMONMPU-UHFFFAOYSA-N -1 3 357.373 3.463 20 0 FGADHM CCN(CC)C(=O)c1ccc(CNC(=O)Cc2ccc([O-])cc2Cl)cc1 ZINC000163388132 496508783 /nfs/dbraw/zinc/50/87/83/496508783.db2.gz JHOKHBBUIINJFH-UHFFFAOYSA-N -1 3 374.868 3.387 20 0 FGADHM CCOC(=O)c1cc(NC(=O)[C@H](Oc2ccccc2)c2ccccc2)n[n-]1 ZINC000181747691 496526828 /nfs/dbraw/zinc/52/68/28/496526828.db2.gz SQSOBJFDDDUXKQ-GOSISDBHSA-N -1 3 365.389 3.345 20 0 FGADHM CCOC(=O)c1cc(NC(=O)[C@H](Oc2ccccc2)c2ccccc2)[n-]n1 ZINC000181747691 496526834 /nfs/dbraw/zinc/52/68/34/496526834.db2.gz SQSOBJFDDDUXKQ-GOSISDBHSA-N -1 3 365.389 3.345 20 0 FGADHM CCOC(=O)c1ccsc1[N-]C(=O)C(=O)Nc1cccc2c1CCCC2 ZINC000163521537 496527304 /nfs/dbraw/zinc/52/73/04/496527304.db2.gz ASDNNTFAUXZNMR-UHFFFAOYSA-N -1 3 372.446 3.381 20 0 FGADHM CCOC(=O)c1cc(NC(=O)CCc2nc(C)c(-c3ccccc3)o2)n[n-]1 ZINC000181750918 496528297 /nfs/dbraw/zinc/52/82/97/496528297.db2.gz ZSJKVOOKYSWLGE-UHFFFAOYSA-N -1 3 368.393 3.121 20 0 FGADHM CCOC(=O)c1cc(NC(=O)CCc2nc(C)c(-c3ccccc3)o2)[n-]n1 ZINC000181750918 496528303 /nfs/dbraw/zinc/52/83/03/496528303.db2.gz ZSJKVOOKYSWLGE-UHFFFAOYSA-N -1 3 368.393 3.121 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)NC[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000157738973 496542457 /nfs/dbraw/zinc/54/24/57/496542457.db2.gz BYLJMLYSGVENEC-LPHOPBHVSA-N -1 3 358.413 3.498 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)N1CCC([C@@H](O)c2ccccc2)CC1 ZINC000163672668 496544001 /nfs/dbraw/zinc/54/40/01/496544001.db2.gz WDVKNDCDFBIRMW-IBGZPJMESA-N -1 3 358.413 3.187 20 0 FGADHM O=C(CCCc1nc2ccccc2c(=O)[nH]1)Nc1ccc(Cl)cc1[O-] ZINC000153691855 496546520 /nfs/dbraw/zinc/54/65/20/496546520.db2.gz HQIHBYXUWBSUHH-UHFFFAOYSA-N -1 3 357.797 3.244 20 0 FGADHM CN(Cc1ccccc1)C(=O)NCCC(=O)Nc1ccc(Cl)cc1[O-] ZINC000153705166 496551627 /nfs/dbraw/zinc/55/16/27/496551627.db2.gz QNSXVRWBJCXERH-UHFFFAOYSA-N -1 3 361.829 3.216 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)N1CCC(Oc2ccc(F)cc2)CC1 ZINC000163743724 496553385 /nfs/dbraw/zinc/55/33/85/496553385.db2.gz CAGQTOYMKYAUKG-UHFFFAOYSA-N -1 3 362.376 3.423 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)c1nc(C)cs1 ZINC000173121319 496558578 /nfs/dbraw/zinc/55/85/78/496558578.db2.gz QFFDVSRRDWNIQF-NSHDSACASA-N -1 3 350.387 3.298 20 0 FGADHM CC(C)c1ccc(-n2cc([O-])c(C(=O)N(C)CC3CCN(C)CC3)n2)cc1 ZINC000173133432 496562192 /nfs/dbraw/zinc/56/21/92/496562192.db2.gz WQQJGQDYGVMERS-UHFFFAOYSA-N -1 3 370.497 3.115 20 0 FGADHM CC[C@H](C)c1cc(C(=O)[N-]c2cc(-n3nnnc3C3CC3)ccc2F)on1 ZINC000173152801 496572366 /nfs/dbraw/zinc/57/23/66/496572366.db2.gz QEHXFPOXTGJIBA-JTQLQIEISA-N -1 3 370.388 3.433 20 0 FGADHM Cc1cccnc1[C@H]([N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)C(C)C ZINC000173155460 496573156 /nfs/dbraw/zinc/57/31/56/496573156.db2.gz UOOVDYMDZYZJOW-OAHLLOKOSA-N -1 3 358.385 3.483 20 0 FGADHM CN(CCc1ccc(Br)cc1)C(=O)c1cccc2[n-]nnc21 ZINC000187803320 496578636 /nfs/dbraw/zinc/57/86/36/496578636.db2.gz ZFXNQUYKXJBCOH-UHFFFAOYSA-N -1 3 359.227 3.035 20 0 FGADHM CN(CCc1ccc(Br)cc1)C(=O)c1cccc2nn[n-]c21 ZINC000187803320 496578643 /nfs/dbraw/zinc/57/86/43/496578643.db2.gz ZFXNQUYKXJBCOH-UHFFFAOYSA-N -1 3 359.227 3.035 20 0 FGADHM CN(CCc1ccc(Br)cc1)C(=O)c1cccc2n[n-]nc21 ZINC000187803320 496578650 /nfs/dbraw/zinc/57/86/50/496578650.db2.gz ZFXNQUYKXJBCOH-UHFFFAOYSA-N -1 3 359.227 3.035 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)CCC(C)(C)C)c1noc(Cc2ccccc2)n1 ZINC000175878499 496585115 /nfs/dbraw/zinc/58/51/15/496585115.db2.gz RMVXSWXZBKJYFS-CYBMUJFWSA-N -1 3 351.472 3.077 20 0 FGADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@H](C)[C@@H](C)c1ccccc1 ZINC000178834484 496588124 /nfs/dbraw/zinc/58/81/24/496588124.db2.gz XWLNJISILILQAZ-CHWSQXEVSA-N -1 3 365.426 3.083 20 0 FGADHM CC[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1F)c1ccncc1 ZINC000173221660 496598886 /nfs/dbraw/zinc/59/88/86/496598886.db2.gz JFQUPGKEMSFQFC-CYBMUJFWSA-N -1 3 373.247 3.413 20 0 FGADHM Cc1nc(C[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)sc1C ZINC000173227596 496602260 /nfs/dbraw/zinc/60/22/60/496602260.db2.gz DRFQLFGPGZRSAI-UHFFFAOYSA-N -1 3 368.377 3.396 20 0 FGADHM CC[C@](C)(COc1ncccc1Cl)[N-]S(=O)(=O)c1cccs1 ZINC000158014781 496608512 /nfs/dbraw/zinc/60/85/12/496608512.db2.gz GLVCWJHGVBYSCT-CQSZACIVSA-N -1 3 360.888 3.323 20 0 FGADHM Cc1cc(C)n(-c2ccc([C@@H](C)NC(=O)c3ccc4n[n-]nc4c3)cc2)n1 ZINC000175941481 496610372 /nfs/dbraw/zinc/61/03/72/496610372.db2.gz VCFPAZVUOPGGSV-CQSZACIVSA-N -1 3 360.421 3.251 20 0 FGADHM CCC(CC)CC(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000164502168 496615198 /nfs/dbraw/zinc/61/51/98/496615198.db2.gz ZLXOTSZBDIXHAS-UHFFFAOYSA-N -1 3 366.405 3.292 20 0 FGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(C)c(Br)c1 ZINC000175975069 496625963 /nfs/dbraw/zinc/62/59/63/496625963.db2.gz SDLDGGMWLBMYQG-UHFFFAOYSA-N -1 3 368.256 3.123 20 0 FGADHM CN1CC[C@H]([N-]S(=O)(=O)c2ccc(Cl)s2)[C@@H]1c1ccccc1 ZINC000178948672 496626058 /nfs/dbraw/zinc/62/60/58/496626058.db2.gz MQLGHHFFHHUMCE-WFASDCNBSA-N -1 3 356.900 3.125 20 0 FGADHM C[C@@H]1C[C@H](CC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)CCO1 ZINC000574788879 505856052 /nfs/dbraw/zinc/85/60/52/505856052.db2.gz LRUMOIIGVYELPA-GHMZBOCLSA-N -1 3 352.283 3.477 20 0 FGADHM O=S(=O)([N-]C1(c2nccs2)CCCC1)C1=Cc2ccccc2OC1 ZINC000187964832 496634480 /nfs/dbraw/zinc/63/44/80/496634480.db2.gz HKBPAEIAYKZBOY-UHFFFAOYSA-N -1 3 362.476 3.265 20 0 FGADHM Cc1nccn1CCCC[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000173308093 496636634 /nfs/dbraw/zinc/63/66/34/496636634.db2.gz NHFSJBIQVMMYPD-UHFFFAOYSA-N -1 3 362.282 3.257 20 0 FGADHM CCOCCC1(CNC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)CCC1 ZINC000165058168 496645891 /nfs/dbraw/zinc/64/58/91/496645891.db2.gz CQSNLTMFMYSTCH-UHFFFAOYSA-N -1 3 360.429 3.302 20 0 FGADHM CS(=O)(=O)[N-]c1cc(NC(=O)CCc2ccc(F)cc2F)ccc1F ZINC000179047235 496656406 /nfs/dbraw/zinc/65/64/06/496656406.db2.gz LSKMYFIVASLNQB-UHFFFAOYSA-N -1 3 372.368 3.047 20 0 FGADHM Cc1cc(S(=O)(=O)[N-][C@H]2CCCC[C@@H]2n2cccn2)sc1Cl ZINC000188073615 496672238 /nfs/dbraw/zinc/67/22/38/496672238.db2.gz GBOPDIUGAPMPOQ-RYUDHWBXSA-N -1 3 359.904 3.369 20 0 FGADHM Cc1cccc(F)c1S(=O)(=O)[N-][C@H](C)c1noc(-c2ccccc2)n1 ZINC000185191426 496698471 /nfs/dbraw/zinc/69/84/71/496698471.db2.gz FMWRIAKASODCCK-GFCCVEGCSA-N -1 3 361.398 3.224 20 0 FGADHM O=C(Nc1nnc(Cc2cccc(Cl)c2)s1)c1cccc2nn[n-]c21 ZINC000188202288 496715174 /nfs/dbraw/zinc/71/51/74/496715174.db2.gz NFCRGRJMAIPLRD-UHFFFAOYSA-N -1 3 370.825 3.306 20 0 FGADHM O=C(Nc1nnc(Cc2cccc(Cl)c2)s1)c1cccc2[n-]nnc21 ZINC000188202288 496715178 /nfs/dbraw/zinc/71/51/78/496715178.db2.gz NFCRGRJMAIPLRD-UHFFFAOYSA-N -1 3 370.825 3.306 20 0 FGADHM O=C(Nc1nnc(Cc2cccc(Cl)c2)s1)c1cccc2n[n-]nc21 ZINC000188202288 496715182 /nfs/dbraw/zinc/71/51/82/496715182.db2.gz NFCRGRJMAIPLRD-UHFFFAOYSA-N -1 3 370.825 3.306 20 0 FGADHM O=C(NCCCOCC(F)(F)F)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000188205694 496716444 /nfs/dbraw/zinc/71/64/44/496716444.db2.gz XYJANVNESDUZID-UHFFFAOYSA-N -1 3 367.780 3.490 20 0 FGADHM CCc1ccc([O-])c(C(=O)N(CC)CC(=O)Nc2ccccc2OC)c1 ZINC000179225984 496717385 /nfs/dbraw/zinc/71/73/85/496717385.db2.gz ZLFGSKWEMKADIL-UHFFFAOYSA-N -1 3 356.422 3.064 20 0 FGADHM CC(C)(C)c1nnsc1C(=O)[N-]c1cc(S(C)(=O)=O)ccc1Cl ZINC000191352210 496734271 /nfs/dbraw/zinc/73/42/71/496734271.db2.gz MAFKWOGXYUBEGU-UHFFFAOYSA-N -1 3 373.887 3.145 20 0 FGADHM Cc1[nH]c2ccccc2c1C1CCN(C(=O)c2cc(C)nc(=O)[n-]2)CC1 ZINC000268591662 496742585 /nfs/dbraw/zinc/74/25/85/496742585.db2.gz GCYLBEQUDGRMAD-UHFFFAOYSA-N -1 3 350.422 3.300 20 0 FGADHM COc1ccc(C(=O)CCC(=O)Nc2c(C)cccc2[O-])c(OC)c1OC ZINC000273305156 496769396 /nfs/dbraw/zinc/76/93/96/496769396.db2.gz WXFHNUBZNYKZIL-UHFFFAOYSA-N -1 3 373.405 3.328 20 0 FGADHM CCc1ccc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c([O-])c1 ZINC000188379900 496769989 /nfs/dbraw/zinc/76/99/89/496769989.db2.gz ZJIQEYLEUQJPFE-UHFFFAOYSA-N -1 3 351.406 3.005 20 0 FGADHM COC(=O)c1sc([N-]C(=O)c2snnc2C(C)(C)C)nc1C1CC1 ZINC000191465236 496772489 /nfs/dbraw/zinc/77/24/89/496772489.db2.gz PBUPYXLTBJLNRP-UHFFFAOYSA-N -1 3 366.468 3.208 20 0 FGADHM Cc1cccc2c1OCC[C@H]2[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000188408919 496780228 /nfs/dbraw/zinc/78/02/28/496780228.db2.gz HJNVQMCDLQVWCQ-CQSZACIVSA-N -1 3 357.353 3.214 20 0 FGADHM Cc1nc(CN2CCN(C(=O)c3ccc(C(C)C)cc3[O-])CC2)oc1C ZINC000264095807 496810590 /nfs/dbraw/zinc/81/05/90/496810590.db2.gz GVGJXPUYMKYLHK-UHFFFAOYSA-N -1 3 357.454 3.078 20 0 FGADHM CCOc1cccc(NC(=O)[N-]OC[C@H](C)NC(=O)OC(C)(C)C)c1 ZINC000273460838 496812411 /nfs/dbraw/zinc/81/24/11/496812411.db2.gz FWABSDYRUKUFGS-LBPRGKRZSA-N -1 3 353.419 3.052 20 0 FGADHM CCOc1cccc(NC([O-])=NOC[C@H](C)NC(=O)OC(C)(C)C)c1 ZINC000273460838 496812409 /nfs/dbraw/zinc/81/24/09/496812409.db2.gz FWABSDYRUKUFGS-LBPRGKRZSA-N -1 3 353.419 3.052 20 0 FGADHM COc1ccccc1[C@H](C)CC(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000264240370 496847811 /nfs/dbraw/zinc/84/78/11/496847811.db2.gz ZHCNEJYPFRGVQB-CYBMUJFWSA-N -1 3 362.451 3.199 20 0 FGADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CC[C@H](OCc2ccccn2)C1 ZINC000269022454 496851003 /nfs/dbraw/zinc/85/10/03/496851003.db2.gz KAIPULYIPHELDD-SFHVURJKSA-N -1 3 352.434 3.097 20 0 FGADHM CC[C@H](C)[C@H]([N-]S(=O)(=O)c1ccc2[nH]c(=O)ccc2c1)C(F)(F)F ZINC000277688713 496853687 /nfs/dbraw/zinc/85/36/87/496853687.db2.gz KCQLAHDOWCRMJR-XPTSAGLGSA-N -1 3 362.373 3.196 20 0 FGADHM CC(C)c1cc(C(=O)N2CC[S@@](=O)C[C@H](C)C2)c([O-])c(C(C)C)c1 ZINC000277691805 496855037 /nfs/dbraw/zinc/85/50/37/496855037.db2.gz VRBKTNGZFUHRNU-JBEBIEQOSA-N -1 3 351.512 3.480 20 0 FGADHM COc1cc(C(=O)NC[C@H](c2ccccc2)C(F)(F)F)cc(OC)c1[O-] ZINC000188630244 496858443 /nfs/dbraw/zinc/85/84/43/496858443.db2.gz XIFNNGNJWIZIRO-CYBMUJFWSA-N -1 3 369.339 3.485 20 0 FGADHM COC[C@@H](C)Oc1ccc(Cl)cc1N[C@@H](C)C(=O)[N-]c1cc(C)no1 ZINC000188702451 496882441 /nfs/dbraw/zinc/88/24/41/496882441.db2.gz XUKAZARULOZHLN-NEPJUHHUSA-N -1 3 367.833 3.489 20 0 FGADHM CCOc1cc(-c2noc([C@@H](C)Sc3nnnn3C3CC3)n2)ccc1[O-] ZINC000277790625 496887290 /nfs/dbraw/zinc/88/72/90/496887290.db2.gz FBDXDRIDHVBWIA-SECBINFHSA-N -1 3 374.426 3.016 20 0 FGADHM CC1(C)CO[C@@H](c2ccccc2)CN1C(=O)c1cc(F)cc2[n-]nnc21 ZINC000277814440 496897669 /nfs/dbraw/zinc/89/76/69/496897669.db2.gz WNTCXJHLUYBWRW-MRXNPFEDSA-N -1 3 354.385 3.089 20 0 FGADHM CC1(C)CO[C@@H](c2ccccc2)CN1C(=O)c1cc(F)cc2nn[n-]c21 ZINC000277814440 496897675 /nfs/dbraw/zinc/89/76/75/496897675.db2.gz WNTCXJHLUYBWRW-MRXNPFEDSA-N -1 3 354.385 3.089 20 0 FGADHM CC1(C)CO[C@@H](c2ccccc2)CN1C(=O)c1cc(F)cc2n[n-]nc21 ZINC000277814440 496897677 /nfs/dbraw/zinc/89/76/77/496897677.db2.gz WNTCXJHLUYBWRW-MRXNPFEDSA-N -1 3 354.385 3.089 20 0 FGADHM CC(C)c1cc(C(=O)N2CCN(c3cccnn3)CC2)c([O-])c(C(C)C)c1 ZINC000195379270 496906247 /nfs/dbraw/zinc/90/62/47/496906247.db2.gz NOCQPHIDGRMBHP-UHFFFAOYSA-N -1 3 368.481 3.391 20 0 FGADHM C[C@@H](Oc1cccc2ccccc21)C(=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000195446779 496924422 /nfs/dbraw/zinc/92/44/22/496924422.db2.gz FWEWBUNQCJPCPA-CYBMUJFWSA-N -1 3 359.389 3.426 20 0 FGADHM C[C@@H](Oc1cccc2ccccc21)C(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000195446779 496924426 /nfs/dbraw/zinc/92/44/26/496924426.db2.gz FWEWBUNQCJPCPA-CYBMUJFWSA-N -1 3 359.389 3.426 20 0 FGADHM C[C@@H](Oc1cccc2ccccc21)C(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000195446779 496924431 /nfs/dbraw/zinc/92/44/31/496924431.db2.gz FWEWBUNQCJPCPA-CYBMUJFWSA-N -1 3 359.389 3.426 20 0 FGADHM C[N-]S(=O)(=O)c1ccc(CNC(=O)CCCC2CCCCC2)s1 ZINC000247955024 496932405 /nfs/dbraw/zinc/93/24/05/496932405.db2.gz NVYAAKDMMWQWBE-UHFFFAOYSA-N -1 3 358.529 3.023 20 0 FGADHM COC[C@@H](NCc1ccc(OC)c([O-])c1Br)c1ccco1 ZINC000273889298 496947199 /nfs/dbraw/zinc/94/71/99/496947199.db2.gz YQUXDPUAMYOWQM-LLVKDONJSA-N -1 3 356.216 3.234 20 0 FGADHM CC[C@@H](C)C(=O)N1CCC[C@@H](c2nc(-c3ccc([O-])c(OC)c3)no2)C1 ZINC000264629481 496948409 /nfs/dbraw/zinc/94/84/09/496948409.db2.gz SMRFJYBUOHJFOX-TZMCWYRMSA-N -1 3 359.426 3.203 20 0 FGADHM C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)c1cccc2[n-]nnc21 ZINC000188921186 496948458 /nfs/dbraw/zinc/94/84/58/496948458.db2.gz SOWVARCRJONKTM-ZBEGNZNMSA-N -1 3 356.813 3.214 20 0 FGADHM C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)c1cccc2nn[n-]c21 ZINC000188921186 496948460 /nfs/dbraw/zinc/94/84/60/496948460.db2.gz SOWVARCRJONKTM-ZBEGNZNMSA-N -1 3 356.813 3.214 20 0 FGADHM C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)c1cccc2n[n-]nc21 ZINC000188921186 496948462 /nfs/dbraw/zinc/94/84/62/496948462.db2.gz SOWVARCRJONKTM-ZBEGNZNMSA-N -1 3 356.813 3.214 20 0 FGADHM O=S(=O)([N-][C@@H]1CCC[C@@H]1CCO)c1cc(C(F)(F)F)ccc1Cl ZINC000188928713 496950882 /nfs/dbraw/zinc/95/08/82/496950882.db2.gz ZZOJBLZXXLQWEI-BXKDBHETSA-N -1 3 371.808 3.188 20 0 FGADHM O=C1CCc2cc(OCCCc3nc(-c4ccc([O-])cc4)no3)ccc2N1 ZINC000264675872 496960679 /nfs/dbraw/zinc/96/06/79/496960679.db2.gz XXZAJXKFTSPELE-UHFFFAOYSA-N -1 3 365.389 3.339 20 0 FGADHM O=C(c1ccc(C(=O)N2CCOC3(CCC3)C2)cc1)c1cccc([O-])c1 ZINC000188966869 496962611 /nfs/dbraw/zinc/96/26/11/496962611.db2.gz SLPBHVDMQBFZEF-UHFFFAOYSA-N -1 3 351.402 3.018 20 0 FGADHM O=c1[nH]c(CC(F)(F)F)c([O-])n1-c1ccc2c(c1)OC1(CCCC1)O2 ZINC000278044516 496983674 /nfs/dbraw/zinc/98/36/74/496983674.db2.gz LJIRRCZVXIFURX-SNVBAGLBSA-N -1 3 356.300 3.105 20 0 FGADHM Cc1ccc(-n2c([O-])c(CC(F)(F)F)[nH]c2=O)cc1NC(=O)C(C)(C)C ZINC000278048971 496984611 /nfs/dbraw/zinc/98/46/11/496984611.db2.gz IFRWCGLZZKVELY-GFCCVEGCSA-N -1 3 371.359 3.357 20 0 FGADHM CN(C[C@@H]1CCCC[C@@H]1O)C(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000189034699 496986189 /nfs/dbraw/zinc/98/61/89/496986189.db2.gz IKBORMBZSQLJKU-ICSRJNTNSA-N -1 3 367.445 3.246 20 0 FGADHM O=C([N-]c1cnns1)C(=O)Nc1ccc(CCCc2ccccc2)cc1 ZINC000192086831 496991297 /nfs/dbraw/zinc/99/12/97/496991297.db2.gz ZTTSDGIPRWDBAJ-UHFFFAOYSA-N -1 3 366.446 3.291 20 0 FGADHM CN(C)c1cccc([C@@H]2CCCN2C(=O)c2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000580961478 505878102 /nfs/dbraw/zinc/87/81/02/505878102.db2.gz UEBYKDUHRVIRDD-KRWDZBQOSA-N -1 3 352.438 3.103 20 0 FGADHM COCCOc1ccc(Cc2noc(-c3cccc(OC)c3[O-])n2)cc1 ZINC000274101990 497016202 /nfs/dbraw/zinc/01/62/02/497016202.db2.gz UZYSIVHQALZMOJ-UHFFFAOYSA-N -1 3 356.378 3.067 20 0 FGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)NCCC2=CCCC2)cc1OC ZINC000269884244 497017370 /nfs/dbraw/zinc/01/73/70/497017370.db2.gz ZIFRWWHGASFOIL-UHFFFAOYSA-N -1 3 367.471 3.079 20 0 FGADHM Cc1cc(-n2c([O-])c(CC(F)(F)F)[nH]c2=O)cc(C)c1Br ZINC000278147729 497020018 /nfs/dbraw/zinc/02/00/18/497020018.db2.gz OAWROKCSVLQXDJ-SECBINFHSA-N -1 3 365.149 3.443 20 0 FGADHM COc1ccc([C@H](C)CCNC(=O)c2cc(OC)c([O-])c(OC)c2)cc1 ZINC000269913867 497022742 /nfs/dbraw/zinc/02/27/42/497022742.db2.gz HJIKNPXZJDMTMM-CYBMUJFWSA-N -1 3 359.422 3.342 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CC[C@@H](C)[C@@H](C)C2)c1 ZINC000248492696 497025514 /nfs/dbraw/zinc/02/55/14/497025514.db2.gz JMNXXEBEIRXKIL-MBNYWOFBSA-N -1 3 371.437 3.495 20 0 FGADHM CCC(CC)c1nnc(NC(=O)c2cc(OC)c([O-])c(OC)c2)s1 ZINC000269944702 497028886 /nfs/dbraw/zinc/02/88/86/497028886.db2.gz OKDVOPMHGKTDMI-UHFFFAOYSA-N -1 3 351.428 3.417 20 0 FGADHM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1cn(-c2ccc(Cl)cc2)nn1 ZINC000248535480 497033629 /nfs/dbraw/zinc/03/36/29/497033629.db2.gz KFMSAWUIDYTXDQ-VUCTXSBTSA-N -1 3 360.845 3.138 20 0 FGADHM COc1ccc(OC)c([C@@H]2C[C@@H]2c2nc(-c3ccc4n[n-]nc4c3)no2)c1 ZINC000572068995 505881212 /nfs/dbraw/zinc/88/12/12/505881212.db2.gz AQXFDAANHWQLBD-JSGCOSHPSA-N -1 3 363.377 3.296 20 0 FGADHM CCc1ccc(C(=O)N2CCN(C(=O)CCC3CCCC3)CC2)c([O-])c1 ZINC000189236090 497053965 /nfs/dbraw/zinc/05/39/65/497053965.db2.gz UPBQEFXYUCMFCZ-UHFFFAOYSA-N -1 3 358.482 3.209 20 0 FGADHM CC(C)CC(=O)N1CCC(NC(=O)c2cc([O-])ccc2C(F)(F)F)CC1 ZINC000189258798 497061202 /nfs/dbraw/zinc/06/12/02/497061202.db2.gz ABVGFXBGLDKEHQ-UHFFFAOYSA-N -1 3 372.387 3.178 20 0 FGADHM COc1ccccc1CN(CCO)C(=O)c1cc([O-])ccc1C(F)(F)F ZINC000189325340 497082243 /nfs/dbraw/zinc/08/22/43/497082243.db2.gz QIULUYQYJISEFL-UHFFFAOYSA-N -1 3 369.339 3.054 20 0 FGADHM C[C@@H]1CCN(C(=O)c2cc3c([nH]c2=O)CCCC3=O)c2c([O-])cccc21 ZINC000274395845 497087945 /nfs/dbraw/zinc/08/79/45/497087945.db2.gz QVMYQYWDFKURSG-LLVKDONJSA-N -1 3 352.390 3.166 20 0 FGADHM CCOc1cc(CN2CCC[C@H](COC)C2)cc(Br)c1[O-] ZINC000233814782 497111571 /nfs/dbraw/zinc/11/15/71/497111571.db2.gz ZOYOYPAZBCXIOR-LBPRGKRZSA-N -1 3 358.276 3.412 20 0 FGADHM C[C@@H](NC(=O)c1cc([O-])ccc1Cl)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000574931183 505885907 /nfs/dbraw/zinc/88/59/07/505885907.db2.gz FSSVUCYQIAGCBU-AUUYWEPGSA-N -1 3 374.868 3.065 20 0 FGADHM O=C([N-]OC[C@@H]1CCOC1)Nc1cccc(OCc2cccc(F)c2)c1 ZINC000189512668 497145584 /nfs/dbraw/zinc/14/55/84/497145584.db2.gz MLDICHPXVXMQIS-OAHLLOKOSA-N -1 3 360.385 3.494 20 0 FGADHM CC1(C)[C@H](NC(=O)c2ccc(C(=O)c3cccc([O-])c3)cc2)[C@@H]2CCO[C@H]21 ZINC000249077871 497160672 /nfs/dbraw/zinc/16/06/72/497160672.db2.gz OYEHPIMMWNCKFB-DFQSSKMNSA-N -1 3 365.429 3.167 20 0 FGADHM CC[C@@H]1[C@H](C)CCN1C(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000274791820 497166328 /nfs/dbraw/zinc/16/63/28/497166328.db2.gz MNZHCTALNUEOSA-CXAGYDPISA-N -1 3 354.454 3.132 20 0 FGADHM CC(C)COC[C@@H]([N-]S(=O)(=O)CCc1cccs1)c1ccco1 ZINC000189573155 497168054 /nfs/dbraw/zinc/16/80/54/497168054.db2.gz FXTKRJRFUCLUFE-OAHLLOKOSA-N -1 3 357.497 3.217 20 0 FGADHM Cc1cccnc1C(F)(F)C(=O)[N-]CCc1nc(C(F)(F)F)cs1 ZINC000192637639 497171455 /nfs/dbraw/zinc/17/14/55/497171455.db2.gz MOUSTRHEGJQWEO-UHFFFAOYSA-N -1 3 365.327 3.316 20 0 FGADHM O=C(N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2)c1cc([O-])ccc1C(F)(F)F ZINC000249161543 497177477 /nfs/dbraw/zinc/17/74/77/497177477.db2.gz ZCNSEXCFIVDERM-KCPJHIHWSA-N -1 3 355.356 3.489 20 0 FGADHM COc1ccc([C@H]2CCN(C(=O)c3cc(OC)c([O-])c(OC)c3)C2)cc1 ZINC000270693152 497181185 /nfs/dbraw/zinc/18/11/85/497181185.db2.gz KGFOOCYAIBKJKE-AWEZNQCLSA-N -1 3 357.406 3.048 20 0 FGADHM CCOC(=O)CC1CCN(C(=O)c2c[n-]c3c(C)cccc3c2=O)CC1 ZINC000274865929 497185868 /nfs/dbraw/zinc/18/58/68/497185868.db2.gz RCUGUIXTPXNUIG-UHFFFAOYSA-N -1 3 356.422 3.054 20 0 FGADHM O=S(=O)([N-][C@H]1CCC[C@H](F)C1)c1ccc(F)c(Br)c1 ZINC000581009316 505890018 /nfs/dbraw/zinc/89/00/18/505890018.db2.gz UDWLIONOTVQHSY-IUCAKERBSA-N -1 3 354.216 3.147 20 0 FGADHM COc1ccc(Cn2ccc(NC(=O)c3cc(C)cc(OC)c3[O-])n2)cc1 ZINC000189652751 497197170 /nfs/dbraw/zinc/19/71/70/497197170.db2.gz PRMJTWMSAPXOEG-UHFFFAOYSA-N -1 3 367.405 3.215 20 0 FGADHM CC[C@@H]([N-]C(=O)C(F)(F)c1ncccc1C)c1nnc2n1CCCCC2 ZINC000278721279 497200997 /nfs/dbraw/zinc/20/09/97/497200997.db2.gz QNYIENCBDMVDPM-CYBMUJFWSA-N -1 3 363.412 3.067 20 0 FGADHM Cc1ccc(CS(=O)(=O)[N-]Cc2csc(-c3ccco3)n2)c(F)c1 ZINC000192792099 497215059 /nfs/dbraw/zinc/21/50/59/497215059.db2.gz GVJLBMFMXOQNIJ-UHFFFAOYSA-N -1 3 366.439 3.470 20 0 FGADHM Cc1ccc(C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C2)c([O-])c1C ZINC000265947911 497215582 /nfs/dbraw/zinc/21/55/82/497215582.db2.gz SLYYGEOPTJDVDW-CZUORRHYSA-N -1 3 362.470 3.384 20 0 FGADHM CC(C)(C)OCc1cc(C[N-]S(=O)(=O)Cc2ccccc2Cl)no1 ZINC000275080625 497233828 /nfs/dbraw/zinc/23/38/28/497233828.db2.gz IPORWSGQNNAVEM-UHFFFAOYSA-N -1 3 372.874 3.263 20 0 FGADHM O=C([N-]OC[C@@H]1CCOC1)Nc1ccc(-n2ncc3ccccc32)cc1 ZINC000189763474 497236412 /nfs/dbraw/zinc/23/64/12/497236412.db2.gz ZKHOBBJKOYAEOL-CQSZACIVSA-N -1 3 352.394 3.115 20 0 FGADHM O=S(=O)([N-][C@@H]1C[C@H]2OCCC[C@@H]12)c1cc2cc(Cl)ccc2s1 ZINC000249768880 497245553 /nfs/dbraw/zinc/24/55/53/497245553.db2.gz JBTRYXLUMYRHKJ-YNEHKIRRSA-N -1 3 357.884 3.401 20 0 FGADHM CCc1nn(C)c(CC)c1CC(=O)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000189799754 497248372 /nfs/dbraw/zinc/24/83/72/497248372.db2.gz KLARFRGWCGLIIP-UHFFFAOYSA-N -1 3 355.360 3.451 20 0 FGADHM CC(C)(C)CC(=O)Nc1ccc(Cl)c(C(=O)[N-]N2CCCCC2=O)c1 ZINC000266101808 497256054 /nfs/dbraw/zinc/25/60/54/497256054.db2.gz LCSNPSNSPZDUMB-UHFFFAOYSA-N -1 3 365.861 3.372 20 0 FGADHM Cc1ccc(NC(=O)C2(N)CCCC2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000237588983 497260586 /nfs/dbraw/zinc/26/05/86/497260586.db2.gz AEIYQJSGIOLFBN-UHFFFAOYSA-N -1 3 373.478 3.006 20 0 FGADHM CCc1ccc(C(=O)NCc2ccc(-n3nc(C)cc3C)nc2)c([O-])c1 ZINC000189837003 497262617 /nfs/dbraw/zinc/26/26/17/497262617.db2.gz BTLDYKKJYFALIX-UHFFFAOYSA-N -1 3 350.422 3.082 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)c3c[nH]c4cc(F)ccc34)[n-]c21 ZINC000192982609 497265718 /nfs/dbraw/zinc/26/57/18/497265718.db2.gz JWSCSOMHTUPWCV-UHFFFAOYSA-N -1 3 352.325 3.222 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3c[nH]c4cc(F)ccc34)nc21 ZINC000192982609 497265723 /nfs/dbraw/zinc/26/57/23/497265723.db2.gz JWSCSOMHTUPWCV-UHFFFAOYSA-N -1 3 352.325 3.222 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)[C@@H]1CCOC1 ZINC000266199482 497278734 /nfs/dbraw/zinc/27/87/34/497278734.db2.gz ODVBLFDOEVFBDT-RKDXNWHRSA-N -1 3 357.781 3.062 20 0 FGADHM Cc1c(Br)cccc1CC(=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000189923889 497294457 /nfs/dbraw/zinc/29/44/57/497294457.db2.gz SKSFYWJVNPHHSE-UHFFFAOYSA-N -1 3 372.226 3.119 20 0 FGADHM Cc1c(Br)cccc1CC(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000189923889 497294461 /nfs/dbraw/zinc/29/44/61/497294461.db2.gz SKSFYWJVNPHHSE-UHFFFAOYSA-N -1 3 372.226 3.119 20 0 FGADHM Cc1c(Br)cccc1CC(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000189923889 497294467 /nfs/dbraw/zinc/29/44/67/497294467.db2.gz SKSFYWJVNPHHSE-UHFFFAOYSA-N -1 3 372.226 3.119 20 0 FGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@@H]3CCO[C@H](C)C3)s2)cs1 ZINC000271254110 497303607 /nfs/dbraw/zinc/30/36/07/497303607.db2.gz LEUKSTMSHJVADM-MWLCHTKSSA-N -1 3 358.510 3.026 20 0 FGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]C[C@H]3CCO[C@@H](C)C3)s2)cs1 ZINC000271265955 497307415 /nfs/dbraw/zinc/30/74/15/497307415.db2.gz MDAXDRWSADLTIR-JQWIXIFHSA-N -1 3 372.537 3.273 20 0 FGADHM Cn1nc(-c2cccs2)nc1[N-]C(=O)c1cnc([C@H]2CCCO2)s1 ZINC000193203690 497322763 /nfs/dbraw/zinc/32/27/63/497322763.db2.gz QDLRHVBWOSOLRB-SECBINFHSA-N -1 3 361.452 3.104 20 0 FGADHM Cc1cc(C)cc(-c2nnc([N-]C(=O)c3cnn4ccncc34)s2)c1 ZINC000193277536 497339642 /nfs/dbraw/zinc/33/96/42/497339642.db2.gz QHSMTLGMORZFSP-UHFFFAOYSA-N -1 3 350.407 3.117 20 0 FGADHM Cc1noc2ncc(C(=O)[N-]c3nnc(/C=C\c4ccco4)s3)cc12 ZINC000255032588 497356397 /nfs/dbraw/zinc/35/63/97/497356397.db2.gz WBLNUDWBQJBVEF-PLNGDYQASA-N -1 3 353.363 3.398 20 0 FGADHM COc1ccc([C@@H](OC)[C@@H](C)NC(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000271472280 497357274 /nfs/dbraw/zinc/35/72/74/497357274.db2.gz HFQSRJRCTUHCRL-XIKOKIGWSA-N -1 3 362.401 3.115 20 0 FGADHM Cc1ccc2c(c1)CCN2C(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000271518186 497370453 /nfs/dbraw/zinc/37/04/53/497370453.db2.gz PDVSTRFGJQHGHR-UHFFFAOYSA-N -1 3 374.444 3.383 20 0 FGADHM COC[C@H](NC(=O)c1cc(OC)c([O-])c(OC)c1)c1ccc(Cl)cc1 ZINC000279223089 497373321 /nfs/dbraw/zinc/37/33/21/497373321.db2.gz PTKNMAMAQHCFEZ-AWEZNQCLSA-N -1 3 365.813 3.180 20 0 FGADHM CC[S@@](=O)[C@@H]1CCC[C@H](NC(=O)c2cc([O-])ccc2C(F)(F)F)C1 ZINC000193457932 497384796 /nfs/dbraw/zinc/38/47/96/497384796.db2.gz JHQIZDDCFLGFEB-PAKXUUGISA-N -1 3 363.401 3.221 20 0 FGADHM C[C@@H]1CCN(C(=O)c2cc([O-])ccc2C(F)(F)F)C[C@H]1n1ccnc1 ZINC000193529180 497403396 /nfs/dbraw/zinc/40/33/96/497403396.db2.gz VLBAHWBLYMNNLC-IAQYHMDHSA-N -1 3 353.344 3.331 20 0 FGADHM COC(=O)c1cnc(SCC(=O)N(C)[C@@H](C)c2cc3ccccc3o2)[n-]1 ZINC000193540212 497407212 /nfs/dbraw/zinc/40/72/12/497407212.db2.gz INNGREKZDDHPJU-NSHDSACASA-N -1 3 373.434 3.254 20 0 FGADHM CCCOc1ccc(S(=O)(=O)[N-]c2cccc(N(C)C(C)=O)c2)cc1 ZINC000266753585 497413457 /nfs/dbraw/zinc/41/34/57/497413457.db2.gz TZTOQRSAZFCKQR-UHFFFAOYSA-N -1 3 362.451 3.259 20 0 FGADHM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1CC(=O)Nc1ccc(F)cc1Cl ZINC000261603349 497417507 /nfs/dbraw/zinc/41/75/07/497417507.db2.gz CBJMPLKFKFULOJ-VQISRLSMSA-N -1 3 354.809 3.135 20 0 FGADHM Cc1nc(C)c(CCC(=O)N2CC[C@@H](Cc3ccccc3)[C@@H]2C)c(=O)[n-]1 ZINC000266889089 497439105 /nfs/dbraw/zinc/43/91/05/497439105.db2.gz RPBFJUYKQSHFIX-YJBOKZPZSA-N -1 3 353.466 3.211 20 0 FGADHM COc1cccc(OC)c1OC1CCN([C@@H](C)c2nc(C)cc(=O)[n-]2)CC1 ZINC000279452753 497442959 /nfs/dbraw/zinc/44/29/59/497442959.db2.gz MFNRLNVMZCEJNW-AWEZNQCLSA-N -1 3 373.453 3.112 20 0 FGADHM O=C(CCC[S@@](=O)c1ccc(Br)cc1)[N-]OC1CCCC1 ZINC000271804399 497455231 /nfs/dbraw/zinc/45/52/31/497455231.db2.gz NCYSZULVVHQPNQ-OAQYLSRUSA-N -1 3 374.300 3.327 20 0 FGADHM CN(C(=O)c1cccc([O-])c1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000190432501 497478346 /nfs/dbraw/zinc/47/83/46/497478346.db2.gz KFCXCQHKWNMKIO-HOTGVXAUSA-N -1 3 352.217 3.429 20 0 FGADHM Cc1cncc(C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)c1 ZINC000267148169 497492132 /nfs/dbraw/zinc/49/21/32/497492132.db2.gz IHAYPENRJFFCEU-UHFFFAOYSA-N -1 3 373.840 3.240 20 0 FGADHM Cc1cccc(S(=O)(=O)[N-]CCC2(F)CCC2)c1Br ZINC000572187815 505910295 /nfs/dbraw/zinc/91/02/95/505910295.db2.gz JAKQXSJXNFKYIS-UHFFFAOYSA-N -1 3 350.253 3.318 20 0 FGADHM CC[C@@H](C)Oc1cc(CNC(=O)c2cc(=O)c3ccccc3[n-]2)ccn1 ZINC000271949113 497494970 /nfs/dbraw/zinc/49/49/70/497494970.db2.gz BAHPJXFVSPRFLQ-CYBMUJFWSA-N -1 3 351.406 3.443 20 0 FGADHM Cc1cc(-c2noc([C@H](C)N3C[C@@H]4CCC[C@@]4(C(=O)[O-])C3)n2)ccc1F ZINC000262052980 497500683 /nfs/dbraw/zinc/50/06/83/497500683.db2.gz ANUOKPMPRYRKFV-PTAUBWNISA-N -1 3 359.401 3.432 20 0 FGADHM CC(C)Cc1ccc([C@@H](C)NC(=O)CN2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)cc1 ZINC000262099347 497508809 /nfs/dbraw/zinc/50/88/09/497508809.db2.gz HIGANAKEYJCBMB-GTCCEBARSA-N -1 3 372.509 3.249 20 0 FGADHM Cc1nn2c(C[N-]c3nnc([C@H]4Cc5ccccc5O4)o3)c(C)nc2s1 ZINC000272004827 497509084 /nfs/dbraw/zinc/50/90/84/497509084.db2.gz XIGICAKOAOKGRT-CQSZACIVSA-N -1 3 368.422 3.079 20 0 FGADHM COc1ccccc1-c1nc(NC(=O)c2ccc(C)c(C(C)=O)c2)n[n-]1 ZINC000193895579 497513355 /nfs/dbraw/zinc/51/33/55/497513355.db2.gz XDAXKOUAZQKVRJ-UHFFFAOYSA-N -1 3 350.378 3.244 20 0 FGADHM CCOc1cc(CNC(=O)c2ccc([O-])c(OC)c2)ccc1OC(F)F ZINC000276192860 497518384 /nfs/dbraw/zinc/51/83/84/497518384.db2.gz MBQWMCZARUCFQA-UHFFFAOYSA-N -1 3 367.348 3.331 20 0 FGADHM O=S(=O)([N-][C@@H]1C[C@H]1c1cccc(Br)c1)c1ccccc1F ZINC000572196333 505912146 /nfs/dbraw/zinc/91/21/46/505912146.db2.gz UAXLUDDBSNYMIP-GXTWGEPZSA-N -1 3 370.243 3.423 20 0 FGADHM CCc1ccc([C@H]2CNCCN2Cc2nc(=O)c3sccc3[n-]2)cc1 ZINC000262218962 497526243 /nfs/dbraw/zinc/52/62/43/497526243.db2.gz MKPXFAUPMZVBBA-MRXNPFEDSA-N -1 3 354.479 3.106 20 0 FGADHM CSC1(C[N-]S(=O)(=O)c2ccc(F)cc2Br)CCC1 ZINC000194007345 497546536 /nfs/dbraw/zinc/54/65/36/497546536.db2.gz QDEFEYOOKHTYSU-UHFFFAOYSA-N -1 3 368.293 3.152 20 0 FGADHM O=C(Nc1cn(Cc2ccccc2)nn1)c1cc([O-])ccc1C(F)(F)F ZINC000194031420 497553194 /nfs/dbraw/zinc/55/31/94/497553194.db2.gz RAXGHJRKNYWUAW-UHFFFAOYSA-N -1 3 362.311 3.303 20 0 FGADHM O=S(=O)([N-]C1CC1)c1cc(-c2nc(CC3CCCC3)no2)ccc1F ZINC000581122084 505915313 /nfs/dbraw/zinc/91/53/13/505915313.db2.gz PWNTUHADPVTZBN-UHFFFAOYSA-N -1 3 365.430 3.049 20 0 FGADHM COc1cc(C(=O)N[C@@H]2CCCOc3cc(F)ccc32)cc(OC)c1[O-] ZINC000272251287 497577829 /nfs/dbraw/zinc/57/78/29/497577829.db2.gz PCSVRTKJGVGNLN-CQSZACIVSA-N -1 3 361.369 3.192 20 0 FGADHM O=C(c1ccccc1[O-])N1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)CC1 ZINC000245961048 497584180 /nfs/dbraw/zinc/58/41/80/497584180.db2.gz XNOHQWJBLOFKHO-OKZBNKHCSA-N -1 3 370.493 3.283 20 0 FGADHM CO[C@@H](C)c1nc(C[N-]S(=O)(=O)c2ccc(F)cc2Cl)cs1 ZINC000267620143 497588668 /nfs/dbraw/zinc/58/86/68/497588668.db2.gz KTXHRYXLHPNMMB-QMMMGPOBSA-N -1 3 364.851 3.122 20 0 FGADHM CO[C@H](C)c1nc(C[N-]S(=O)(=O)c2ccc(Cl)s2)cs1 ZINC000267633551 497591664 /nfs/dbraw/zinc/59/16/64/497591664.db2.gz OSFVUSUAQGPTGE-SSDOTTSWSA-N -1 3 352.890 3.044 20 0 FGADHM O=C(Nc1ccc(-c2n[nH]c(C3CC3)n2)cc1)c1n[n-]nc1-c1ccccc1 ZINC000194178154 497595413 /nfs/dbraw/zinc/59/54/13/497595413.db2.gz LIVUSMACZRDRDW-UHFFFAOYSA-N -1 3 371.404 3.387 20 0 FGADHM C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)N1CCC(C(=O)[O-])CC1 ZINC000262677920 497598571 /nfs/dbraw/zinc/59/85/71/497598571.db2.gz UUWZLMRIBXTDQM-LSDHHAIUSA-N -1 3 354.450 3.202 20 0 FGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2CCC(C)=C(C)C2)cc1OC ZINC000279947992 497598909 /nfs/dbraw/zinc/59/89/09/497598909.db2.gz HQHGYOJPEOSRED-UHFFFAOYSA-N -1 3 367.471 3.031 20 0 FGADHM CCN(CC)Cc1nc(C2(NC(=O)c3ccc([O-])c(C)c3)CCCC2)no1 ZINC000272388539 497615429 /nfs/dbraw/zinc/61/54/29/497615429.db2.gz GQBYCQWAHKMGSY-UHFFFAOYSA-N -1 3 372.469 3.125 20 0 FGADHM Cc1ccc(CN[C@H](CC(=O)[O-])c2ccncc2)c(-c2cnn(C)c2)c1 ZINC000575073128 505914322 /nfs/dbraw/zinc/91/43/22/505914322.db2.gz SEPYGFNNAFBJOJ-LJQANCHMSA-N -1 3 350.422 3.096 20 0 FGADHM Cc1cc(C(=O)N2CCCC[C@H]2c2nnc(C3CCOCC3)o2)ccc1[O-] ZINC000276783801 497652602 /nfs/dbraw/zinc/65/26/02/497652602.db2.gz DOLWBYIKKFCVHN-INIZCTEOSA-N -1 3 371.437 3.345 20 0 FGADHM CSc1nnc(CCCNC(=O)c2ccc([O-])c(C)c2)n1C1CCCC1 ZINC000272597668 497675547 /nfs/dbraw/zinc/67/55/47/497675547.db2.gz PBKUZKXPKJJEBE-UHFFFAOYSA-N -1 3 374.510 3.492 20 0 FGADHM C[C@H](c1nc(C(F)(F)F)cs1)N1C(=O)[N-][C@@H](CC(F)(F)F)C1=O ZINC000280196081 497678186 /nfs/dbraw/zinc/67/81/86/497678186.db2.gz SMSMPBDNKGFMHR-UHNVWZDZSA-N -1 3 361.267 3.096 20 0 FGADHM CCOc1cccc(CNC(=O)c2ccc([O-])c(OC)c2)c1OC(F)F ZINC000276909415 497684171 /nfs/dbraw/zinc/68/41/71/497684171.db2.gz KHHVHUMCCFOPOP-UHFFFAOYSA-N -1 3 367.348 3.331 20 0 FGADHM CC[C@H]1Oc2cc([C@@H](C)NC(=O)c3ccc([O-])c(OC)c3)ccc2NC1=O ZINC000276922701 497688566 /nfs/dbraw/zinc/68/85/66/497688566.db2.gz MVOJZEDPNWZSRF-BDJLRTHQSA-N -1 3 370.405 3.001 20 0 FGADHM C[C@H](NC(=O)CN1CCC[C@@H](CCC(=O)[O-])C1)c1ccc2c(c1)CCCC2 ZINC000263066693 497697827 /nfs/dbraw/zinc/69/78/27/497697827.db2.gz GFHQHOANLSCNRW-IRXDYDNUSA-N -1 3 372.509 3.319 20 0 FGADHM C[C@@H]1CCCC[C@H]1NC(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000194537601 497698697 /nfs/dbraw/zinc/69/86/97/497698697.db2.gz UAUJSVWVDDIBLQ-GDBMZVCRSA-N -1 3 359.470 3.331 20 0 FGADHM Cc1nc(CCCNCc2ccccc2OC(F)F)sc1C(=O)[O-] ZINC000276975355 497704981 /nfs/dbraw/zinc/70/49/81/497704981.db2.gz HLNCIXDHPXBAHX-UHFFFAOYSA-N -1 3 356.394 3.474 20 0 FGADHM C[C@@H]1C[C@@H](C(=O)[O-])CN(Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)C1 ZINC000263099106 497705437 /nfs/dbraw/zinc/70/54/37/497705437.db2.gz WCSSHGCBTHQPRI-TZMCWYRMSA-N -1 3 367.371 3.434 20 0 FGADHM COc1cc(C(=O)N2CCC(C(=O)Nc3cccc(F)c3)CC2)ccc1[O-] ZINC000277000176 497711770 /nfs/dbraw/zinc/71/17/70/497711770.db2.gz YZYZAQJHHTZPFF-UHFFFAOYSA-N -1 3 372.396 3.031 20 0 FGADHM C[C@@H](NC(=O)CN1C[C@H](C)C[C@@H](C(=O)[O-])C1)c1cccc2ccccc21 ZINC000263136233 497714387 /nfs/dbraw/zinc/71/43/87/497714387.db2.gz DGDRZBGAZPDKCY-BFYDXBDKSA-N -1 3 354.450 3.060 20 0 FGADHM O=C([O-])CCCCCNCc1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC000277053185 497727676 /nfs/dbraw/zinc/72/76/76/497727676.db2.gz SLJCTWMCCXMUKM-UHFFFAOYSA-N -1 3 357.241 3.309 20 0 FGADHM Cc1nc2ccccc2n1C[C@H]1CCCN1C(=O)c1ccc(O)cc1[O-] ZINC000272793422 497732277 /nfs/dbraw/zinc/73/22/77/497732277.db2.gz XFGNSFVMQVLWAV-CQSZACIVSA-N -1 3 351.406 3.061 20 0 FGADHM CCC[C@H](C)S(=O)(=O)[N-][C@H](c1noc(C)n1)c1ccc(Cl)cc1 ZINC000575129554 505927126 /nfs/dbraw/zinc/92/71/26/505927126.db2.gz UDQWJRUMBWGFSM-HZMBPMFUSA-N -1 3 357.863 3.229 20 0 FGADHM O=C([O-])[C@@H]1C[C@@H](C2CCCCC2)CN1Cc1ccn(CC(F)(F)F)n1 ZINC000572257928 505927287 /nfs/dbraw/zinc/92/72/87/505927287.db2.gz FAIOFLNELOSFGF-HIFRSBDPSA-N -1 3 359.392 3.301 20 0 FGADHM C[C@H](CN(C)[C@H](C)C(=O)Nc1ccc(OCc2ccccc2)cc1)C(=O)[O-] ZINC000263314404 497755868 /nfs/dbraw/zinc/75/58/68/497755868.db2.gz IMOAGADMBUDOGG-HZPDHXFCSA-N -1 3 370.449 3.245 20 0 FGADHM COc1cc(CN2C[C@H](C(=O)[O-])CC[C@@H]2C)ccc1OCc1ccncc1 ZINC000263319035 497756691 /nfs/dbraw/zinc/75/66/91/497756691.db2.gz JFUFDUMJMBRXGQ-MAUKXSAKSA-N -1 3 370.449 3.354 20 0 FGADHM COCc1nc(S[C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)n[n-]1 ZINC000268475523 497760258 /nfs/dbraw/zinc/76/02/58/497760258.db2.gz HNRQKIGUUNKOGO-QMMMGPOBSA-N -1 3 360.361 3.089 20 0 FGADHM C[C@@H](NC(=O)CN1C[C@H](C)C[C@@H](C(=O)[O-])C1)c1ccc(Cl)cc1Cl ZINC000263339165 497761830 /nfs/dbraw/zinc/76/18/30/497761830.db2.gz NBBNCEAWXQNBQZ-IJLUTSLNSA-N -1 3 373.280 3.213 20 0 FGADHM COCc1nc(S[C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)n[n-]1 ZINC000268503897 497768122 /nfs/dbraw/zinc/76/81/22/497768122.db2.gz TXLYUXODJLQWGI-MRVPVSSYSA-N -1 3 360.361 3.089 20 0 FGADHM C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000263388999 497774039 /nfs/dbraw/zinc/77/40/39/497774039.db2.gz YJYMPZLJEIVKRC-ASKKUZCQSA-N -1 3 368.477 3.448 20 0 FGADHM COC(=O)COc1ccc(NC(=O)c2cc(-c3ccc(C)o3)[n-]n2)c(C)c1 ZINC000194837203 497786521 /nfs/dbraw/zinc/78/65/21/497786521.db2.gz ZELJRFKSYDEAJO-UHFFFAOYSA-N -1 3 369.377 3.091 20 0 FGADHM COC(=O)COc1ccc(NC(=O)c2cc(-c3ccc(C)o3)n[n-]2)c(C)c1 ZINC000194837203 497786526 /nfs/dbraw/zinc/78/65/26/497786526.db2.gz ZELJRFKSYDEAJO-UHFFFAOYSA-N -1 3 369.377 3.091 20 0 FGADHM C[C@@H](CN(C)Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1)C(=O)[O-] ZINC000263516602 497794497 /nfs/dbraw/zinc/79/44/97/497794497.db2.gz OXMVGGXFBXMAHL-LBPRGKRZSA-N -1 3 355.360 3.103 20 0 FGADHM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1cc([O-])ccc1Br ZINC000263517734 497794785 /nfs/dbraw/zinc/79/47/85/497794785.db2.gz PLEDJDYQAHGMAJ-LKTVYLICSA-N -1 3 354.244 3.372 20 0 FGADHM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1cc([O-])ccc1Br ZINC000263517734 497794787 /nfs/dbraw/zinc/79/47/87/497794787.db2.gz PLEDJDYQAHGMAJ-LKTVYLICSA-N -1 3 354.244 3.372 20 0 FGADHM O=C([O-])[C@@]12CCC[C@H]1CN(CCOc1ccccc1Br)C2 ZINC000263575572 497802191 /nfs/dbraw/zinc/80/21/91/497802191.db2.gz PFWIAWDFBIWEKI-BLLLJJGKSA-N -1 3 354.244 3.015 20 0 FGADHM Cn1c(CN2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)nnc1-c1ccc(Cl)cc1 ZINC000263579082 497803117 /nfs/dbraw/zinc/80/31/17/497803117.db2.gz UCRMJJZWMOTGEP-BPUTZDHNSA-N -1 3 374.872 3.353 20 0 FGADHM Cn1c(CN2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])nnc1-c1ccc(Cl)cc1 ZINC000263579081 497803201 /nfs/dbraw/zinc/80/32/01/497803201.db2.gz UCRMJJZWMOTGEP-BMFZPTHFSA-N -1 3 374.872 3.353 20 0 FGADHM Cc1c(C(C)(C)C)nn(-c2ccccc2)c1NC(=O)[N-]OCC(C)(C)O ZINC000284575061 497832227 /nfs/dbraw/zinc/83/22/27/497832227.db2.gz KTSHSLFAXJUESN-UHFFFAOYSA-N -1 3 360.458 3.302 20 0 FGADHM Cc1c(C(C)(C)C)nn(-c2ccccc2)c1NC([O-])=NOCC(C)(C)O ZINC000284575061 497832223 /nfs/dbraw/zinc/83/22/23/497832223.db2.gz KTSHSLFAXJUESN-UHFFFAOYSA-N -1 3 360.458 3.302 20 0 FGADHM Cc1ccc(C[C@@H]2CCCN(C(=O)c3c[n-]c4ccncc4c3=O)C2)cc1 ZINC000569434656 505933694 /nfs/dbraw/zinc/93/36/94/505933694.db2.gz WWZMPRNWLWWDEG-KRWDZBQOSA-N -1 3 361.445 3.326 20 0 FGADHM Cc1cc(C)c2[n-]cc(C(=O)N3CC[C@@H](O)[C@H](C4CCCC4)C3)c(=O)c2c1 ZINC000333992985 497840903 /nfs/dbraw/zinc/84/09/03/497840903.db2.gz LLBZVNJYVPVLLO-RBUKOAKNSA-N -1 3 368.477 3.158 20 0 FGADHM Cc1ccc(CS(=O)(=O)[N-]C2(c3nccs3)CCCC2)c(F)c1 ZINC000280668364 497850467 /nfs/dbraw/zinc/85/04/67/497850467.db2.gz HHJDJVSHJRXDRD-UHFFFAOYSA-N -1 3 354.472 3.480 20 0 FGADHM C[C@H]1CCN(C(=O)CCc2nnc(-c3ccccn3)o2)c2c([O-])cccc21 ZINC000364239597 497855195 /nfs/dbraw/zinc/85/51/95/497855195.db2.gz ISDBVJPDJSNQJX-ZDUSSCGKSA-N -1 3 364.405 3.310 20 0 FGADHM C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000334081841 497867348 /nfs/dbraw/zinc/86/73/48/497867348.db2.gz MYZXIQZVYZDKSW-FZMZJTMJSA-N -1 3 356.463 3.142 20 0 FGADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCO[C@@H](c3cccnc3)C2)sc1Cl ZINC000295984176 497880018 /nfs/dbraw/zinc/88/00/18/497880018.db2.gz JLSDGVCFDQNGAQ-CHWSQXEVSA-N -1 3 372.899 3.304 20 0 FGADHM C[C@H](c1ccco1)N(C(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)C1CC1 ZINC000299697874 497899566 /nfs/dbraw/zinc/89/95/66/497899566.db2.gz ZAVUDHQAGUDHDC-LLVKDONJSA-N -1 3 366.414 3.156 20 0 FGADHM CC1(C)CN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)[C@@H]1[C@H]1CCCO1 ZINC000329792359 497902788 /nfs/dbraw/zinc/90/27/88/497902788.db2.gz VCCWZVQUTNFNNT-RDTXWAMCSA-N -1 3 353.422 3.471 20 0 FGADHM COc1cc(C(=O)N[C@H]2c3ccccc3CC23CCOCC3)ccc1[O-] ZINC000292162251 497904683 /nfs/dbraw/zinc/90/46/83/497904683.db2.gz WKKPFVYDOUKFLT-IBGZPJMESA-N -1 3 353.418 3.225 20 0 FGADHM CN(Cc1nc(=O)c2cc(-c3ccccc3)sc2[n-]1)C1(CO)CCC1 ZINC000292164595 497906392 /nfs/dbraw/zinc/90/63/92/497906392.db2.gz OYVRJFKPEXUVGL-UHFFFAOYSA-N -1 3 355.463 3.411 20 0 FGADHM CCOC(=O)[C@H]([N-]S(=O)(=O)Cc1cccc(Cl)c1)c1ccccc1 ZINC000578464808 505946030 /nfs/dbraw/zinc/94/60/30/505946030.db2.gz IZLAHTWYICIHGW-MRXNPFEDSA-N -1 3 367.854 3.064 20 0 FGADHM Cc1ccccc1-c1nc(C[N-]S(=O)(=O)[C@@H]2C[C@H]2c2ccccc2)no1 ZINC000575235154 505948021 /nfs/dbraw/zinc/94/80/21/505948021.db2.gz IOIGNUUQSSUUGW-DLBZAZTESA-N -1 3 369.446 3.021 20 0 FGADHM Cc1oc(C(C)C)nc1-c1nc(-c2ccc([N-]S(C)(=O)=O)cc2)no1 ZINC000288861146 497924137 /nfs/dbraw/zinc/92/41/37/497924137.db2.gz BWENDLYBKXKVGY-UHFFFAOYSA-N -1 3 362.411 3.195 20 0 FGADHM O=S(=O)([N-]Cc1nnc(C2CC2)s1)c1c(Cl)cccc1Cl ZINC000572379151 505955259 /nfs/dbraw/zinc/95/52/59/505955259.db2.gz QTZVJEHGSWKPEY-UHFFFAOYSA-N -1 3 364.279 3.201 20 0 FGADHM CCc1ccc(C(=O)N2CCn3c(C4CCCC4)nnc3[C@H]2C)c([O-])c1 ZINC000292389302 497996757 /nfs/dbraw/zinc/99/67/57/497996757.db2.gz TYTDPAHPRYEYFS-CYBMUJFWSA-N -1 3 354.454 3.421 20 0 FGADHM CCc1ccc(C(=O)N2CCn3c(C4CCCC4)nnc3[C@@H]2C)c([O-])c1 ZINC000292389307 497996823 /nfs/dbraw/zinc/99/68/23/497996823.db2.gz TYTDPAHPRYEYFS-ZDUSSCGKSA-N -1 3 354.454 3.421 20 0 FGADHM COC(=O)[C@@H](CC(F)(F)F)NC(=O)CCc1ccc2ccccc2c1[O-] ZINC000296333439 498001604 /nfs/dbraw/zinc/00/16/04/498001604.db2.gz PMWMYSQMFYBELM-CQSZACIVSA-N -1 3 369.339 3.088 20 0 FGADHM O=S(=O)(CCc1cccc(Cl)c1)[N-]c1cnn(CC(F)(F)F)c1 ZINC000285149547 498007569 /nfs/dbraw/zinc/00/75/69/498007569.db2.gz PFUNECMQPIKGID-UHFFFAOYSA-N -1 3 367.780 3.083 20 0 FGADHM CC[C@](C)([N-]S(=O)(=O)c1ccc2c(c1)CCCC2=O)c1nccs1 ZINC000292455942 498022811 /nfs/dbraw/zinc/02/28/11/498022811.db2.gz AYXXNYKOPCPQMT-KRWDZBQOSA-N -1 3 364.492 3.266 20 0 FGADHM C[C@@]1(CCCO)CCCN1Cc1cc(=O)oc2cc([O-])c(Cl)cc12 ZINC000285241652 498030406 /nfs/dbraw/zinc/03/04/06/498030406.db2.gz YPCGNDIOMZEMKR-SFHVURJKSA-N -1 3 351.830 3.279 20 0 FGADHM CCN(CC)S(=O)(=O)c1ccc(Cl)c([N-]C(=O)c2cncs2)c1 ZINC000289220344 498066002 /nfs/dbraw/zinc/06/60/02/498066002.db2.gz CLUVTWHTXIJHRR-UHFFFAOYSA-N -1 3 373.887 3.079 20 0 FGADHM COC(=O)c1c(C)nc(=O)[n-]c1S[C@H](C(=O)C1CC1)c1ccccc1 ZINC000569603030 505973765 /nfs/dbraw/zinc/97/37/65/505973765.db2.gz CGLGWITXNVAXSW-HNNXBMFYSA-N -1 3 358.419 3.090 20 0 FGADHM COc1cc(-c2nc(-c3ccc(NC(C)=O)cc3)no2)cc(OC)c1[O-] ZINC000350569729 498117144 /nfs/dbraw/zinc/11/71/44/498117144.db2.gz ANIHXQOQUZVYOT-UHFFFAOYSA-N -1 3 355.350 3.085 20 0 FGADHM COc1cc(-c2noc(-c3csc(-c4cnccn4)n3)n2)ccc1[O-] ZINC000350577117 498119247 /nfs/dbraw/zinc/11/92/47/498119247.db2.gz KMJWQOAVROPWJH-UHFFFAOYSA-N -1 3 353.363 3.031 20 0 FGADHM O=C(Nc1ccsc1Cl)N1CC(S(=O)(=O)[N-]c2ccccc2)C1 ZINC000364732767 498119898 /nfs/dbraw/zinc/11/98/98/498119898.db2.gz HJFLCXGQGIRKOW-UHFFFAOYSA-N -1 3 371.871 3.060 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CC[C@@](F)(c3ccccc3C)C2)c1 ZINC000330394078 498123375 /nfs/dbraw/zinc/12/33/75/498123375.db2.gz ILWJZNSOJJFRSJ-FQEVSTJZSA-N -1 3 356.397 3.370 20 0 FGADHM CCC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccncc2C)c1 ZINC000281387579 498132041 /nfs/dbraw/zinc/13/20/41/498132041.db2.gz GCDNMLFIILUMFC-UHFFFAOYSA-N -1 3 352.843 3.115 20 0 FGADHM COc1cccc([C@@H]2[C@H](N[C@@H](C)c3nc(C)cc(=O)[n-]3)CCN2C2CC2)c1 ZINC000572500825 505984079 /nfs/dbraw/zinc/98/40/79/505984079.db2.gz PILWJXXLLMCPPD-BOUXLOLZSA-N -1 3 368.481 3.128 20 0 FGADHM CCc1noc(C)c1C[N-]S(=O)(=O)c1cc(C)ccc1Br ZINC000292797957 498151283 /nfs/dbraw/zinc/15/12/83/498151283.db2.gz MDCXWEXVEJAWLC-UHFFFAOYSA-N -1 3 373.272 3.095 20 0 FGADHM CC[C@H](C)c1ccc(S(=O)(=O)[N-][C@@]2(C(F)(F)F)CCOC2)cc1 ZINC000330571966 498153753 /nfs/dbraw/zinc/15/37/53/498153753.db2.gz DIKUGQQFEUQQSG-FZMZJTMJSA-N -1 3 351.390 3.200 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N(C)CCCOCc2ccccc2)c1 ZINC000281477875 498164508 /nfs/dbraw/zinc/16/45/08/498164508.db2.gz GPFBRCIPSLYPNI-UHFFFAOYSA-N -1 3 356.422 3.030 20 0 FGADHM Cn1cc(Br)c(=NC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)[n-]1 ZINC000572525161 505989279 /nfs/dbraw/zinc/98/92/79/505989279.db2.gz GTIWNRCIAIHHCL-WDEREUQCSA-N -1 3 354.635 3.000 20 0 FGADHM Cc1cc(-c2noc(-c3ccc(F)c([N-]S(C)(=O)=O)c3)n2)c(C)o1 ZINC000351041746 498168575 /nfs/dbraw/zinc/16/85/75/498168575.db2.gz AOGWSTUCJJPCRV-UHFFFAOYSA-N -1 3 351.359 3.124 20 0 FGADHM CS[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cccnc2C(F)(F)F)C1 ZINC000330662856 498169232 /nfs/dbraw/zinc/16/92/32/498169232.db2.gz DPQLQOOVQQZSSH-NXEZZACHSA-N -1 3 354.419 3.053 20 0 FGADHM FC(F)(F)c1ccc(CN2CC[C@H](N=c3[n-]nc(C4CC4)o3)C2)cc1 ZINC000578656848 505990872 /nfs/dbraw/zinc/99/08/72/505990872.db2.gz PDOCXVTVWSHURW-AWEZNQCLSA-N -1 3 352.360 3.074 20 0 FGADHM O=C([O-])c1ccc(-c2nc(CN3CCC[C@H]3[C@H]3CCCOC3)co2)cc1 ZINC000572532871 505990993 /nfs/dbraw/zinc/99/09/93/505990993.db2.gz HNYWGXUEVNMESK-WMZOPIPTSA-N -1 3 356.422 3.431 20 0 FGADHM Cc1ncc(S(=O)(=O)[N-][C@H](c2ccc(Cl)cc2)[C@H]2CCOC2)s1 ZINC000364858476 498177414 /nfs/dbraw/zinc/17/74/14/498177414.db2.gz GRGMEFLCUMYOBJ-SWLSCSKDSA-N -1 3 372.899 3.161 20 0 FGADHM O=C(Cc1cncc([O-])c1)N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000572541888 505993046 /nfs/dbraw/zinc/99/30/46/505993046.db2.gz MOTXNYFMLIUOHH-CTYIDZIISA-N -1 3 350.340 3.411 20 0 FGADHM O=c1cc(C[S@@](=O)Cc2coc(-c3cccc(F)c3)n2)nc(C2CC2)[n-]1 ZINC000569694705 505995177 /nfs/dbraw/zinc/99/51/77/505995177.db2.gz DGBVVILFVGOFBB-AREMUKBSSA-N -1 3 373.409 3.303 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCO[C@@H](c4cccs4)C3)nc2)n1 ZINC000301638489 498201086 /nfs/dbraw/zinc/20/10/86/498201086.db2.gz FTDBSCHCDWXFNE-OAHLLOKOSA-N -1 3 368.462 3.446 20 0 FGADHM O=C([O-])c1cnc2ccccc2c1N1CCCN(c2nccs2)CC1 ZINC000575751538 505996539 /nfs/dbraw/zinc/99/65/39/505996539.db2.gz BPZBGQVQCJPBON-UHFFFAOYSA-N -1 3 354.435 3.106 20 0 FGADHM COC(=O)Cc1occ(C)c1C(=O)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000289592415 498209734 /nfs/dbraw/zinc/20/97/34/498209734.db2.gz FNDDEBLNVPUFLV-UHFFFAOYSA-N -1 3 357.284 3.280 20 0 FGADHM CSc1ccccc1S(=O)(=O)[N-][C@H](c1nccs1)C(F)(F)F ZINC000581476809 505997350 /nfs/dbraw/zinc/99/73/50/505997350.db2.gz VFWBGAPOWFJBLR-SNVBAGLBSA-N -1 3 368.427 3.447 20 0 FGADHM CC(C)(C)OC(=O)C1(C(=O)Nc2ccc(Br)cc2[O-])CC1 ZINC000569728468 506003250 /nfs/dbraw/zinc/00/32/50/506003250.db2.gz WFSGGJHSQHNGMQ-UHFFFAOYSA-N -1 3 356.216 3.215 20 0 FGADHM COc1cccc(C(=O)N2CCN(Cc3ccc(C(C)C)cc3)CC2)c1[O-] ZINC000301752594 498251836 /nfs/dbraw/zinc/25/18/36/498251836.db2.gz XASXGUPJLKGMJP-UHFFFAOYSA-N -1 3 368.477 3.482 20 0 FGADHM CC(C)(CO)[C@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)c1ccccc1 ZINC000575789122 506004809 /nfs/dbraw/zinc/00/48/09/506004809.db2.gz UJZZUVUBYQDAJW-MRXNPFEDSA-N -1 3 373.396 3.142 20 0 FGADHM CCn1nc(C)c(S(=O)(=O)[N-]C[C@@H]2CCCC[C@H]2C(F)(F)F)c1C ZINC000331144144 498260682 /nfs/dbraw/zinc/26/06/82/498260682.db2.gz GCEHQWCONWBWBV-QWHCGFSZSA-N -1 3 367.437 3.167 20 0 FGADHM C[C@H](CC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)c1ccccc1F ZINC000281766002 498262447 /nfs/dbraw/zinc/26/24/47/498262447.db2.gz QPIHVUJDYSBEHM-GFCCVEGCSA-N -1 3 374.378 3.236 20 0 FGADHM CCOc1nc2cc(C(=O)N3CCC[C@H]3c3c(C)n[nH]c3C)ccc2[n-]1 ZINC000581522912 506006897 /nfs/dbraw/zinc/00/68/97/506006897.db2.gz FYRRCUJMOGIJOI-INIZCTEOSA-N -1 3 353.426 3.279 20 0 FGADHM CCOc1nc2ccc(C(=O)N3CCC[C@H]3c3c(C)n[nH]c3C)cc2[n-]1 ZINC000581522912 506006898 /nfs/dbraw/zinc/00/68/98/506006898.db2.gz FYRRCUJMOGIJOI-INIZCTEOSA-N -1 3 353.426 3.279 20 0 FGADHM CCc1nc2sccc2c(NCCCNC(=O)c2cccc([O-])c2)n1 ZINC000301833710 498285262 /nfs/dbraw/zinc/28/52/62/498285262.db2.gz SHYNHBOCRRDCBJ-UHFFFAOYSA-N -1 3 356.451 3.191 20 0 FGADHM COc1ccc([C@H]2C[C@H]([N-]S(=O)(=O)c3ccc(F)c(F)c3)C2)cc1F ZINC000575815962 506011864 /nfs/dbraw/zinc/01/18/64/506011864.db2.gz SFMSWPAYXPMVLS-HAQNSBGRSA-N -1 3 371.380 3.337 20 0 FGADHM CCC[C@H](C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)c1ccccc1 ZINC000281875770 498300897 /nfs/dbraw/zinc/30/08/97/498300897.db2.gz ZUUXWEPCEJHHST-INIZCTEOSA-N -1 3 370.415 3.487 20 0 FGADHM CCc1cc(=O)[n-]c(CN[C@H]2CCOc3c(Br)cccc32)n1 ZINC000281883054 498304212 /nfs/dbraw/zinc/30/42/12/498304212.db2.gz AJXUMNLKZLXQFM-ZDUSSCGKSA-N -1 3 364.243 3.121 20 0 FGADHM C[C@H]1CCCc2nc(S(=O)(=O)[N-]C(C)(C)c3ccccc3F)cn21 ZINC000572616638 506013148 /nfs/dbraw/zinc/01/31/48/506013148.db2.gz QTQMKQFQYFKBRQ-LBPRGKRZSA-N -1 3 351.447 3.133 20 0 FGADHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)c2nccn21 ZINC000569781736 506014661 /nfs/dbraw/zinc/01/46/61/506014661.db2.gz IBRDQQGORWBWDH-KCJUWKMLSA-N -1 3 363.336 3.025 20 0 FGADHM O=S(=O)([N-]CCOC1CCCCCC1)c1cccnc1C(F)(F)F ZINC000331438558 498331479 /nfs/dbraw/zinc/33/14/79/498331479.db2.gz JZUNRVZNRWDSTA-UHFFFAOYSA-N -1 3 366.405 3.118 20 0 FGADHM CC(=O)N(c1ccc(NC(=O)[N-]OCCC(F)(F)F)cc1)[C@H]1C[C@@H]1C ZINC000297168867 498341400 /nfs/dbraw/zinc/34/14/00/498341400.db2.gz TUMYOTDOTDQTDF-HZMBPMFUSA-N -1 3 359.348 3.453 20 0 FGADHM C[C@]1(c2ccccc2)CCCN(C(=O)c2ccc([N-]S(C)(=O)=O)cc2)C1 ZINC000331511838 498355788 /nfs/dbraw/zinc/35/57/88/498355788.db2.gz IKKVFWPFZZTOGA-FQEVSTJZSA-N -1 3 372.490 3.252 20 0 FGADHM Cc1c(C(=O)[N-]c2nnc(Cc3cccc(F)c3)s2)nnn1C(C)C ZINC000293387834 498366961 /nfs/dbraw/zinc/36/69/61/498366961.db2.gz LOOZWEORLUOKNG-UHFFFAOYSA-N -1 3 360.418 3.001 20 0 FGADHM Cc1cc(Br)ccc1NC(=O)C[N-]c1noc(C(C)(C)C)n1 ZINC000302029120 498374633 /nfs/dbraw/zinc/37/46/33/498374633.db2.gz BCMSEXYFGRMYBY-UHFFFAOYSA-N -1 3 367.247 3.489 20 0 FGADHM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1cccc(C[S@](C)=O)c1C ZINC000282067419 498375905 /nfs/dbraw/zinc/37/59/05/498375905.db2.gz VDNMQCSBARPIGD-QHCPKHFHSA-N -1 3 369.483 3.430 20 0 FGADHM CCOc1cc(CN[C@@H](CCO)c2ccco2)cc(Br)c1[O-] ZINC000297305724 498398754 /nfs/dbraw/zinc/39/87/54/498398754.db2.gz BIQTZMTUPYGLRZ-ZDUSSCGKSA-N -1 3 370.243 3.360 20 0 FGADHM CCOc1cc(CN2CC[C@H](n3cccn3)C2)cc(Br)c1[O-] ZINC000297365992 498422572 /nfs/dbraw/zinc/42/25/72/498422572.db2.gz HGBKETASYDLQKQ-ZDUSSCGKSA-N -1 3 366.259 3.197 20 0 FGADHM Cc1c(-c2ccncc2)[n-][nH]c1=NC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000365370856 498429307 /nfs/dbraw/zinc/42/93/07/498429307.db2.gz DOGBRPWAXVQUOG-QWHCGFSZSA-N -1 3 354.360 3.222 20 0 FGADHM Cc1nc(-c2ccc(N(C)Cc3cn4c(n3)CCCC4)nc2)[n-]c(=O)c1C ZINC000365403090 498449385 /nfs/dbraw/zinc/44/93/85/498449385.db2.gz DZZITPYTJGZAFE-UHFFFAOYSA-N -1 3 364.453 3.030 20 0 FGADHM CNC(=O)c1cc(Oc2cccc(NC([O-])=NOC3CCCC3)c2)ccn1 ZINC000297457070 498455599 /nfs/dbraw/zinc/45/55/99/498455599.db2.gz RBCHPYAYEYASOM-UHFFFAOYSA-N -1 3 370.409 3.229 20 0 FGADHM CNC(=O)c1cc(Oc2cccc(NC(=O)[N-]OC3CCCC3)c2)ccn1 ZINC000297457070 498455605 /nfs/dbraw/zinc/45/56/05/498455605.db2.gz RBCHPYAYEYASOM-UHFFFAOYSA-N -1 3 370.409 3.229 20 0 FGADHM CCCCCC[C@@H](C)C(=O)N1CCC(c2n[n-]c(C(=O)OCC)n2)CC1 ZINC000365462361 498479662 /nfs/dbraw/zinc/47/96/62/498479662.db2.gz NSXJJXOXXPEKCW-CQSZACIVSA-N -1 3 364.490 3.294 20 0 FGADHM CCCCCC[C@@H](C)C(=O)N1CCC(c2nnc(C(=O)OCC)[n-]2)CC1 ZINC000365462361 498479668 /nfs/dbraw/zinc/47/96/68/498479668.db2.gz NSXJJXOXXPEKCW-CQSZACIVSA-N -1 3 364.490 3.294 20 0 FGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)c2coc(C3CCCC3)n2)c1 ZINC000331874060 498484209 /nfs/dbraw/zinc/48/42/09/498484209.db2.gz BRRKXAYUGXETBY-UHFFFAOYSA-N -1 3 363.439 3.264 20 0 FGADHM CN(CC1CCN(C(=O)Nc2ccccc2)CC1)C(=O)c1ccccc1[O-] ZINC000362278430 498485510 /nfs/dbraw/zinc/48/55/10/498485510.db2.gz JYXACLVVUMJMBE-UHFFFAOYSA-N -1 3 367.449 3.408 20 0 FGADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)NCC(C)(C)C1=CCCC1 ZINC000569904005 506043295 /nfs/dbraw/zinc/04/32/95/506043295.db2.gz VNTRUZHZKWDTSD-UHFFFAOYSA-N -1 3 354.454 3.418 20 0 FGADHM Cc1ccc(SCC(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)cc1 ZINC000290293345 498498288 /nfs/dbraw/zinc/49/82/88/498498288.db2.gz FKDKEDPNZMVOCD-ZDUSSCGKSA-N -1 3 374.428 3.004 20 0 FGADHM CSc1ccc(C(=O)N2CCC[C@H]2c2nncn2CC(C)C)c([O-])c1 ZINC000365516693 498507120 /nfs/dbraw/zinc/50/71/20/498507120.db2.gz YGTCOXYSBQWNBX-HNNXBMFYSA-N -1 3 360.483 3.339 20 0 FGADHM CCC[C@@H](C(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1)c1ccccc1 ZINC000290329256 498510721 /nfs/dbraw/zinc/51/07/21/498510721.db2.gz JHYWVKCTWBNMMJ-GDBMZVCRSA-N -1 3 370.415 3.487 20 0 FGADHM Cc1ccc2[n-]cc(C(=O)N3CCC[C@@H]([C@@H](O)C(F)(F)F)C3)c(=O)c2c1 ZINC000286815400 498518130 /nfs/dbraw/zinc/51/81/30/498518130.db2.gz LKQWOYLOXGBYBR-BDJLRTHQSA-N -1 3 368.355 3.024 20 0 FGADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(c2ncncc2Cl)CC1 ZINC000302652818 498524154 /nfs/dbraw/zinc/52/41/54/498524154.db2.gz NKYNPNOZIJBHNI-UHFFFAOYSA-N -1 3 367.236 3.344 20 0 FGADHM CC(C)[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1cc([O-])c2ccccc2c1 ZINC000331996589 498527411 /nfs/dbraw/zinc/52/74/11/498527411.db2.gz PGAGRKUFUQBENE-GUYCJALGSA-N -1 3 372.490 3.221 20 0 FGADHM C[C@@H](c1ccccc1)N1CC[C@@H](Nc2cc(C(C)(C)C)nc(C(=O)[O-])n2)C1 ZINC000572768914 506048119 /nfs/dbraw/zinc/04/81/19/506048119.db2.gz KTBIEGYIWZUSFA-GOEBONIOSA-N -1 3 368.481 3.142 20 0 FGADHM CC(C)n1cnc(S(=O)(=O)[N-][C@H]2CC(C)(C)Oc3cc(F)ccc32)c1 ZINC000331999624 498528388 /nfs/dbraw/zinc/52/83/88/498528388.db2.gz VZVHJFHSLKVHMP-AWEZNQCLSA-N -1 3 367.446 3.184 20 0 FGADHM C[C@@H](CC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1)c1ccccc1 ZINC000290392185 498535197 /nfs/dbraw/zinc/53/51/97/498535197.db2.gz PAOTYMKGFXAXAV-UONOGXRCSA-N -1 3 356.388 3.097 20 0 FGADHM COc1ccc(C(=O)N2CCC(N3CCc4ccccc43)CC2)c([O-])c1 ZINC000282497212 498535954 /nfs/dbraw/zinc/53/59/54/498535954.db2.gz YSWLYOZOTSLFFT-UHFFFAOYSA-N -1 3 352.434 3.068 20 0 FGADHM Cc1nnc([C@@H]([N-]C(=O)C(F)(F)c2ccccc2F)c2ccccc2)[nH]1 ZINC000362670469 498536028 /nfs/dbraw/zinc/53/60/28/498536028.db2.gz UAUKWLQCUQFGKI-HNNXBMFYSA-N -1 3 360.339 3.250 20 0 FGADHM Cc1nc([C@@H]([N-]C(=O)C(F)(F)c2ccccc2F)c2ccccc2)n[nH]1 ZINC000362670469 498536034 /nfs/dbraw/zinc/53/60/34/498536034.db2.gz UAUKWLQCUQFGKI-HNNXBMFYSA-N -1 3 360.339 3.250 20 0 FGADHM CC(C)OCc1cc(NC(=O)Nc2cnn(CC(F)F)c2)ccc1[O-] ZINC000290399951 498537502 /nfs/dbraw/zinc/53/75/02/498537502.db2.gz OHQDIYKQWDLDOJ-UHFFFAOYSA-N -1 3 354.357 3.423 20 0 FGADHM CO[C@@H](CS(=O)(=O)[N-]c1cccc(Nc2nc(C)cs2)c1)C1CC1 ZINC000575988699 506049776 /nfs/dbraw/zinc/04/97/76/506049776.db2.gz WCLQMGDIMCLZKP-HNNXBMFYSA-N -1 3 367.496 3.362 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CC[C@@H](Oc3ccc(Cl)cc3)C2)c1 ZINC000294171450 498609963 /nfs/dbraw/zinc/60/99/63/498609963.db2.gz SQQUGCCXCDXTRN-MRXNPFEDSA-N -1 3 374.824 3.298 20 0 FGADHM COCCCO[N-]C(=O)Nc1ccnc(Oc2ccc(F)cc2F)c1 ZINC000287124665 498638310 /nfs/dbraw/zinc/63/83/10/498638310.db2.gz KPBDJTMISRESSL-UHFFFAOYSA-N -1 3 353.325 3.242 20 0 FGADHM C[C@@H](c1ccc(Br)cc1)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000332299090 498639819 /nfs/dbraw/zinc/63/98/19/498639819.db2.gz KKSVDPNMADJDHR-JQWIXIFHSA-N -1 3 352.232 3.478 20 0 FGADHM Cc1cccc(C(=O)N[C@@H](C)c2cc(F)ccc2N2CCN(C)CC2)c1[O-] ZINC000303104253 498647557 /nfs/dbraw/zinc/64/75/57/498647557.db2.gz DIMFZDLPUGWYJC-HNNXBMFYSA-N -1 3 371.456 3.083 20 0 FGADHM Cc1ncc(S(=O)(=O)[N-]CCCCc2ccc(Cl)s2)s1 ZINC000572862086 506069892 /nfs/dbraw/zinc/06/98/92/506069892.db2.gz NKGDONRAPSBTAP-UHFFFAOYSA-N -1 3 350.918 3.468 20 0 FGADHM CC(C)OCc1nc([C@H](C)[N-]C(=O)C(F)(F)c2ccccc2F)no1 ZINC000290783187 498677604 /nfs/dbraw/zinc/67/76/04/498677604.db2.gz NGKKCQFWQVZOMI-JTQLQIEISA-N -1 3 357.332 3.103 20 0 FGADHM Cc1cc(C)c2ncc(C(=O)[O-])c(N3C[C@H](C)OC4(CCOCC4)C3)c2c1 ZINC000579010947 506073900 /nfs/dbraw/zinc/07/39/00/506073900.db2.gz SXKATFKNPVGFIE-HNNXBMFYSA-N -1 3 370.449 3.324 20 0 FGADHM CC(C)(C)OC(=O)[C@@H]1CSCCN1C(=O)c1cc([O-])c2ccccc2c1 ZINC000332530538 498714983 /nfs/dbraw/zinc/71/49/83/498714983.db2.gz RGCMNTOXRUBNGI-INIZCTEOSA-N -1 3 373.474 3.445 20 0 FGADHM CSC[C@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000304327844 498732914 /nfs/dbraw/zinc/73/29/14/498732914.db2.gz TZJCUZLZUFZTND-ZETCQYMHSA-N -1 3 358.710 3.132 20 0 FGADHM O=C(c1c([O-])cccc1O)N1CCC(c2noc3cc(F)ccc32)CC1 ZINC000290950440 498734741 /nfs/dbraw/zinc/73/47/41/498734741.db2.gz PEHOMVUPXWZSEU-UHFFFAOYSA-N -1 3 356.353 3.398 20 0 FGADHM C[C@H](NC(=O)c1cc([O-])ccc1Cl)c1ccc(N2CCCNC2=O)cc1 ZINC000291031885 498764817 /nfs/dbraw/zinc/76/48/17/498764817.db2.gz JBJSPIVIMJNGKQ-LBPRGKRZSA-N -1 3 373.840 3.456 20 0 FGADHM CCOc1cc(CNCc2ccnc(OC)c2)cc(Br)c1[O-] ZINC000298435291 498771296 /nfs/dbraw/zinc/77/12/96/498771296.db2.gz XMFRAUGMGAKNOT-UHFFFAOYSA-N -1 3 367.243 3.247 20 0 FGADHM Cc1nc(S(=O)(=O)Cc2cnoc2C2CC2)[n-]c1Cc1ccccc1 ZINC000287517382 498783554 /nfs/dbraw/zinc/78/35/54/498783554.db2.gz MFGIRHOBUSMNEC-UHFFFAOYSA-N -1 3 357.435 3.148 20 0 FGADHM Cc1[n-]c(S(=O)(=O)Cc2cnoc2C2CC2)nc1Cc1ccccc1 ZINC000287517382 498783561 /nfs/dbraw/zinc/78/35/61/498783561.db2.gz MFGIRHOBUSMNEC-UHFFFAOYSA-N -1 3 357.435 3.148 20 0 FGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1cccc(Br)c1F ZINC000318775150 498798398 /nfs/dbraw/zinc/79/83/98/498798398.db2.gz WUKQNVDTQPQOFY-UHFFFAOYSA-N -1 3 362.162 3.021 20 0 FGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1cccc(Br)c1F ZINC000318775150 498798400 /nfs/dbraw/zinc/79/84/00/498798400.db2.gz WUKQNVDTQPQOFY-UHFFFAOYSA-N -1 3 362.162 3.021 20 0 FGADHM CC[C@@]1(CNC(=O)c2cc(OC)c([O-])c(OC)c2)OCCc2ccccc21 ZINC000291143504 498813544 /nfs/dbraw/zinc/81/35/44/498813544.db2.gz GHUPEZPGNXSFKB-NRFANRHFSA-N -1 3 371.433 3.017 20 0 FGADHM CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cc([O-])ccc1Cl ZINC000581936585 506094854 /nfs/dbraw/zinc/09/48/54/506094854.db2.gz XQXIOJADMBMMFJ-UHFFFAOYSA-N -1 3 357.797 3.357 20 0 FGADHM Cc1cccc(C(=O)N2CCC(C(=O)N(C)c3ccccc3)CC2)c1[O-] ZINC000363443158 498824487 /nfs/dbraw/zinc/82/44/87/498824487.db2.gz YHZYUSSWGSAHCV-UHFFFAOYSA-N -1 3 352.434 3.216 20 0 FGADHM CC(C)(C)[C@@H](CCO)[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000323899548 498824651 /nfs/dbraw/zinc/82/46/51/498824651.db2.gz YFSNHLSGVCLNQZ-GFCCVEGCSA-N -1 3 373.824 3.434 20 0 FGADHM Cc1cccc2c(=O)c(C(=O)N3CC4(CCC4)[C@H]3[C@@H]3CCCO3)c[n-]c12 ZINC000332888827 498825664 /nfs/dbraw/zinc/82/56/64/498825664.db2.gz HWPXYPAEADSWGG-QFBILLFUSA-N -1 3 352.434 3.010 20 0 FGADHM O=C([N-]C[C@H]1CCCN(C(=O)[C@H]2CCCc3ccccc32)C1)C(F)(F)F ZINC000291171122 498827551 /nfs/dbraw/zinc/82/75/51/498827551.db2.gz RTEYVTKMDOTBTA-CJNGLKHVSA-N -1 3 368.399 3.024 20 0 FGADHM CC(=O)N1CCc2cc([N-]S(=O)(=O)c3c(C)cc(F)cc3C)ccc21 ZINC000327581200 498860081 /nfs/dbraw/zinc/86/00/81/498860081.db2.gz AQSYKQRUQFHKSA-UHFFFAOYSA-N -1 3 362.426 3.152 20 0 FGADHM Cc1cc([C@@H]2CCCN(C(=O)c3ccc(C(F)(F)F)cc3[O-])C2)n[nH]1 ZINC000283363877 498864058 /nfs/dbraw/zinc/86/40/58/498864058.db2.gz BVFOJDGTDRCECK-LLVKDONJSA-N -1 3 353.344 3.462 20 0 FGADHM CN(C)C(=O)C1(CNC(=O)CCc2ccc3ccccc3c2[O-])CCCC1 ZINC000294987664 498872320 /nfs/dbraw/zinc/87/23/20/498872320.db2.gz TXAGFDLYLOZUDM-UHFFFAOYSA-N -1 3 368.477 3.243 20 0 FGADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1cccc(-c2ncc3n2CCCC3)c1 ZINC000291275272 498872502 /nfs/dbraw/zinc/87/25/02/498872502.db2.gz HOLCUUIQZGSSHC-QGZVFWFLSA-N -1 3 356.426 3.466 20 0 FGADHM O=C([N-]O[C@@H]1CCCCO1)Nc1cccc(-c2ncc3n2CCCC3)c1 ZINC000291275272 498872510 /nfs/dbraw/zinc/87/25/10/498872510.db2.gz HOLCUUIQZGSSHC-QGZVFWFLSA-N -1 3 356.426 3.466 20 0 FGADHM CCN(CC)C(=O)Nc1ccc([C@@H](C)NC(=O)c2ccc(O)cc2[O-])cc1 ZINC000298771736 498874526 /nfs/dbraw/zinc/87/45/26/498874526.db2.gz UOTOPUCWZMNJTE-CYBMUJFWSA-N -1 3 371.437 3.463 20 0 FGADHM C[C@@H](NC(=O)c1c[n-]c2ccccc2c1=O)c1ccc(-c2cncnc2)cc1 ZINC000363563491 498880602 /nfs/dbraw/zinc/88/06/02/498880602.db2.gz LWFPQEDDNYRFSI-CQSZACIVSA-N -1 3 370.412 3.476 20 0 FGADHM CC(C)c1nccn1C[C@@H]1CCCN1Cc1nc(=O)c2sccc2[n-]1 ZINC000363567506 498882581 /nfs/dbraw/zinc/88/25/81/498882581.db2.gz FYKFMBUSKKCGJG-ZDUSSCGKSA-N -1 3 357.483 3.381 20 0 FGADHM CC(C)(C)c1cccc(C(=O)N2CCN(C(=O)c3cccc([O-])c3)CC2)c1 ZINC000570174406 506108418 /nfs/dbraw/zinc/10/84/18/506108418.db2.gz ZCHIMNUNITYWED-UHFFFAOYSA-N -1 3 366.461 3.288 20 0 FGADHM Cn1nc([C@@H]2CCCOC2)cc1NC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000333104912 498901161 /nfs/dbraw/zinc/90/11/61/498901161.db2.gz WBDGJTHIIDQTSR-OAHLLOKOSA-N -1 3 355.438 3.151 20 0 FGADHM CN(CC(=O)N1CCC[C@H]2CCCC[C@H]21)Cc1nc2ccsc2c(=O)[n-]1 ZINC000333105453 498901426 /nfs/dbraw/zinc/90/14/26/498901426.db2.gz FNZAEZNCNODKFX-UKRRQHHQSA-N -1 3 374.510 3.010 20 0 FGADHM C[C@@H]1CCC[C@@H](OCC(=O)N=c2nc(-c3ccccc3Cl)[n-]n2C)C1 ZINC000579183174 506111213 /nfs/dbraw/zinc/11/12/13/506111213.db2.gz FWEQUIGYAFELMV-CHWSQXEVSA-N -1 3 362.861 3.091 20 0 FGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C2(c3ccccc3)CC2)cc1OC ZINC000298944772 498922958 /nfs/dbraw/zinc/92/29/58/498922958.db2.gz GTRGPITWYSOHJU-UHFFFAOYSA-N -1 3 374.462 3.127 20 0 FGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2cccc(C)c2C)cc1OC ZINC000298953981 498925993 /nfs/dbraw/zinc/92/59/93/498925993.db2.gz LAXHTGRUSCWZMI-UHFFFAOYSA-N -1 3 362.451 3.326 20 0 FGADHM COc1ccc([O-])c(C(=O)N2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)c1 ZINC000288036393 498930427 /nfs/dbraw/zinc/93/04/27/498930427.db2.gz TYUZKLXFOROYBD-QRVBRYPASA-N -1 3 353.418 3.046 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N3Cc4ccccc4OC[C@@H]3C)c[n-]c12 ZINC000363677138 498940090 /nfs/dbraw/zinc/94/00/90/498940090.db2.gz YABACWGXCOCHPQ-ZDUSSCGKSA-N -1 3 366.392 3.399 20 0 FGADHM CCC(CC)c1cc(C[N-]S(=O)(=O)CCc2scnc2C)on1 ZINC000295250354 498955664 /nfs/dbraw/zinc/95/56/64/498955664.db2.gz QLKYLIZJIUVBNV-UHFFFAOYSA-N -1 3 357.501 3.005 20 0 FGADHM Cc1cccc(C2(C(=O)Nc3ccc(F)c([N-]S(C)(=O)=O)c3)CC2)c1 ZINC000299071812 498957097 /nfs/dbraw/zinc/95/70/97/498957097.db2.gz SJTYNGINAKVIMB-UHFFFAOYSA-N -1 3 362.426 3.176 20 0 FGADHM Oc1[n-]c(N2CCC(c3c[nH]c4ccc(F)cc43)CC2)nc2nncc1-2 ZINC000288165360 498958996 /nfs/dbraw/zinc/95/89/96/498958996.db2.gz IABWRJZJZUELRL-UHFFFAOYSA-N -1 3 352.373 3.063 20 0 FGADHM CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)CNC(=O)c1ccc([O-])cc1 ZINC000570235553 506120865 /nfs/dbraw/zinc/12/08/65/506120865.db2.gz QWQULDKLFBKWQW-IBGZPJMESA-N -1 3 368.477 3.300 20 0 FGADHM Cn1ccnc1[C@@H](NC(=O)Cc1ccc([O-])cc1Cl)c1ccccc1F ZINC000363763589 498981262 /nfs/dbraw/zinc/98/12/62/498981262.db2.gz ZQYVYEAPRABTJB-SFHVURJKSA-N -1 3 373.815 3.367 20 0 FGADHM CC(C)(C[C@H]1CCCN(C(=O)c2cc([O-])ccc2C(F)(F)F)C1)C(N)=O ZINC000295369568 498994697 /nfs/dbraw/zinc/99/46/97/498994697.db2.gz DFHBWHMXPZXEPQ-LLVKDONJSA-N -1 3 372.387 3.165 20 0 FGADHM COc1cc2c(c(OC)c1OC)CCN(Cc1ccccc1C(=O)[O-])CC2 ZINC000573126997 506124826 /nfs/dbraw/zinc/12/48/26/506124826.db2.gz QZQFSYHIANBKSK-UHFFFAOYSA-N -1 3 371.433 3.011 20 0 FGADHM CCN(C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1)C1CCCC1 ZINC000299262401 499008733 /nfs/dbraw/zinc/00/87/33/499008733.db2.gz HKRJNBFCNJKLGP-UHFFFAOYSA-N -1 3 369.487 3.253 20 0 FGADHM Cc1ccc(CS(=O)(=O)[N-]Cc2nc(C(F)(F)F)cs2)cc1 ZINC000288502108 499042160 /nfs/dbraw/zinc/04/21/60/499042160.db2.gz ZLAWZGMHZLTEST-UHFFFAOYSA-N -1 3 350.387 3.090 20 0 FGADHM O=C([N-]c1c2nsnc2ccc1Cl)c1cnc(OCC2CC2)cn1 ZINC000284120907 499051993 /nfs/dbraw/zinc/05/19/93/499051993.db2.gz XMDMHIMWUDHAMA-UHFFFAOYSA-N -1 3 361.814 3.176 20 0 FGADHM CCOc1nc2ccc(C(=O)N3CCCCC[C@H]3c3noc(C)n3)cc2[n-]1 ZINC000333690972 499058846 /nfs/dbraw/zinc/05/88/46/499058846.db2.gz MNANAQUABOFLDL-INIZCTEOSA-N -1 3 369.425 3.411 20 0 FGADHM CCOc1nc2cc(C(=O)N3CCCCC[C@H]3c3noc(C)n3)ccc2[n-]1 ZINC000333690972 499058849 /nfs/dbraw/zinc/05/88/49/499058849.db2.gz MNANAQUABOFLDL-INIZCTEOSA-N -1 3 369.425 3.411 20 0 FGADHM C[C@]1(C[C@@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)NC(=O)[N-]C1=O ZINC000329187582 499066215 /nfs/dbraw/zinc/06/62/15/499066215.db2.gz GXIMQGXAYGCYAN-BUKGGLNISA-N -1 3 359.470 3.227 20 0 FGADHM CCC1CCN(C(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)CC1 ZINC000299482311 499072231 /nfs/dbraw/zinc/07/22/31/499072231.db2.gz GANKCSLXUURCIX-UHFFFAOYSA-N -1 3 354.454 3.134 20 0 FGADHM CC(C)(C)c1ccc([O-])c(NC(=O)c2ccn(CCn3cccn3)n2)c1 ZINC000295655375 499072959 /nfs/dbraw/zinc/07/29/59/499072959.db2.gz JAHCIBWRLYCYOV-UHFFFAOYSA-N -1 3 353.426 3.035 20 0 FGADHM CO[C@@H]1CCCN(C(=O)c2ccc(C(=O)c3cccc([O-])c3)cc2)CC1 ZINC000364010910 499085134 /nfs/dbraw/zinc/08/51/34/499085134.db2.gz ARGACHUIKBYRCH-LJQANCHMSA-N -1 3 353.418 3.264 20 0 FGADHM O=C(N[C@@H](c1cncc(Br)c1)C1CC1)c1ccc(O)cc1[O-] ZINC000573152504 506130859 /nfs/dbraw/zinc/13/08/59/506130859.db2.gz IKGCXXLIMLJOJM-OAHLLOKOSA-N -1 3 363.211 3.136 20 0 FGADHM Cn1cc(C2CCN(Cc3nc4c5ccccc5oc4c(=O)[n-]3)CC2)cn1 ZINC000329265932 499087454 /nfs/dbraw/zinc/08/74/54/499087454.db2.gz COJQMXYDQAYPEG-UHFFFAOYSA-N -1 3 363.421 3.195 20 0 FGADHM O=C(c1ccccc1[O-])N1CCN(c2nc(C3CCCCC3)ns2)CC1 ZINC000333852982 499088136 /nfs/dbraw/zinc/08/81/36/499088136.db2.gz NZMWPTFGRVHUBE-UHFFFAOYSA-N -1 3 372.494 3.254 20 0 FGADHM Cn1nccc1C1CCN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)CC1 ZINC000329333414 499101738 /nfs/dbraw/zinc/10/17/38/499101738.db2.gz KDFDRUXAWIFWKU-UHFFFAOYSA-N -1 3 363.421 3.195 20 0 FGADHM CCOC(=O)C(=Cc1conc1C)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000295812467 499106454 /nfs/dbraw/zinc/10/64/54/499106454.db2.gz FWHXGGKPHYLVKT-WUXMJOGZSA-N -1 3 359.407 3.414 20 0 FGADHM O=S(=O)(C[C@@H]1CCCCO1)[N-]c1ccc2c(c1)OC1(CCCCC1)O2 ZINC000329490135 499127736 /nfs/dbraw/zinc/12/77/36/499127736.db2.gz SKCRPXYTBHARDP-HNNXBMFYSA-N -1 3 367.467 3.429 20 0 FGADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCN[C@H](c2ccncc2)C1 ZINC000367083773 499146075 /nfs/dbraw/zinc/14/60/75/499146075.db2.gz IVAKAMDYAGUKOP-NRFANRHFSA-N -1 3 373.456 3.165 20 0 FGADHM O=S(=O)([N-]c1c2c(ccc1Cl)OCC2)c1cccc2c1OCC2 ZINC000576336909 506133847 /nfs/dbraw/zinc/13/38/47/506133847.db2.gz JFRLTSZLYNJKFW-UHFFFAOYSA-N -1 3 351.811 3.011 20 0 FGADHM O=C(NC1CC1)c1ccc(C=Cc2nc(-c3ccc4n[n-]nc4c3)no2)cc1 ZINC000573180661 506136920 /nfs/dbraw/zinc/13/69/20/506136920.db2.gz ZJAHKPPQTAIRAF-XCVCLJGOSA-N -1 3 372.388 3.071 20 0 FGADHM CCc1cc(=O)[n-]c(CSCC(=O)N2CCC[C@@H]2c2ccsc2)n1 ZINC000370567154 499232369 /nfs/dbraw/zinc/23/23/69/499232369.db2.gz AGFOZNJEUZTPLS-CQSZACIVSA-N -1 3 363.508 3.403 20 0 FGADHM C[C@H]1CCC[C@H](N(C)C(=O)NC2CCN(C(=O)c3cccc([O-])c3)CC2)C1 ZINC000370740782 499250087 /nfs/dbraw/zinc/25/00/87/499250087.db2.gz OWNOAISYGCXMFT-YJBOKZPZSA-N -1 3 373.497 3.217 20 0 FGADHM Cn1ncc2c1ncc(C(=O)N1CC[C@@H](Cc3cccc(Cl)c3)C1)c2[O-] ZINC000367980835 499252055 /nfs/dbraw/zinc/25/20/55/499252055.db2.gz FZOKCUYGWYNDNX-ZDUSSCGKSA-N -1 3 370.840 3.032 20 0 FGADHM O=C(/C=C/c1cncc([O-])c1)Nc1ccc(-c2noc(C(F)F)n2)cc1 ZINC000368020460 499255874 /nfs/dbraw/zinc/25/58/74/499255874.db2.gz PEPDPTMAUZDFKA-LZCJLJQNSA-N -1 3 358.304 3.427 20 0 FGADHM Cc1onc(-c2ccccc2)c1C(=O)N=c1[nH][n-]c(-c2ccncc2)c1C ZINC000368315279 499284688 /nfs/dbraw/zinc/28/46/88/499284688.db2.gz IZJJTNBZMAKCFB-UHFFFAOYSA-N -1 3 359.389 3.418 20 0 FGADHM CCOc1cc(C(=O)N2CCCC[C@H]2c2n[nH]c(C)n2)cc(Cl)c1[O-] ZINC000368337775 499286675 /nfs/dbraw/zinc/28/66/75/499286675.db2.gz CVAVMMZSXJSLQW-ZDUSSCGKSA-N -1 3 364.833 3.238 20 0 FGADHM O=C(CSCc1ccncc1)Nc1nnc(-c2c(F)cccc2F)[n-]1 ZINC000371082353 499287063 /nfs/dbraw/zinc/28/70/63/499287063.db2.gz WAUSCFDGIJJABL-UHFFFAOYSA-N -1 3 361.377 3.017 20 0 FGADHM O=C(CSCc1ccncc1)Nc1nc(-c2c(F)cccc2F)n[n-]1 ZINC000371082353 499287064 /nfs/dbraw/zinc/28/70/64/499287064.db2.gz WAUSCFDGIJJABL-UHFFFAOYSA-N -1 3 361.377 3.017 20 0 FGADHM O=C(CSCc1ccncc1)Nc1n[n-]c(-c2c(F)cccc2F)n1 ZINC000371082353 499287066 /nfs/dbraw/zinc/28/70/66/499287066.db2.gz WAUSCFDGIJJABL-UHFFFAOYSA-N -1 3 361.377 3.017 20 0 FGADHM COc1cc(C(=O)Nc2cccc(-c3ccnc(C)n3)c2)cc(OC)c1[O-] ZINC000371240806 499301394 /nfs/dbraw/zinc/30/13/94/499301394.db2.gz FWJVQOSYYGVTRD-UHFFFAOYSA-N -1 3 365.389 3.427 20 0 FGADHM C[C@H]1CCC[C@@H](CC(=O)NC2CCN(C(=O)c3cccc([O-])c3)CC2)C1 ZINC000371252621 499302859 /nfs/dbraw/zinc/30/28/59/499302859.db2.gz DNQCXVIMJYFDIZ-JKSUJKDBSA-N -1 3 358.482 3.329 20 0 FGADHM C[C@H]1CCN(C(=O)C2CCN(C(=O)c3ccoc3)CC2)c2c([O-])cccc21 ZINC000368638232 499316383 /nfs/dbraw/zinc/31/63/83/499316383.db2.gz YEVGVOIGWIXENQ-AWEZNQCLSA-N -1 3 368.433 3.378 20 0 FGADHM NC(=O)[N-]C(=O)OCCCN1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000371393367 499319920 /nfs/dbraw/zinc/31/99/20/499319920.db2.gz OEIQUIGYIGMXFF-CYBMUJFWSA-N -1 3 359.348 3.037 20 0 FGADHM O=C([N-]c1ncn(-c2ccccn2)n1)c1ccc(-c2ccccc2Cl)o1 ZINC000371463290 499330019 /nfs/dbraw/zinc/33/00/19/499330019.db2.gz HYPSVXNYGGQGAB-UHFFFAOYSA-N -1 3 365.780 3.250 20 0 FGADHM CCC[C@H](C)CS(=O)(=O)[N-][C@H](c1nc(-c2ccncc2)no1)C(C)C ZINC000369293315 499388395 /nfs/dbraw/zinc/38/83/95/499388395.db2.gz LMMABHDNQIONGW-ZFWWWQNUSA-N -1 3 366.487 3.184 20 0 FGADHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CCC(Cc2ccc(F)c(F)c2)CC1 ZINC000570342388 506145783 /nfs/dbraw/zinc/14/57/83/506145783.db2.gz IMNYSBPHGNTNFK-UHFFFAOYSA-N -1 3 373.403 3.433 20 0 FGADHM Cc1cccc(C(=O)N2CCC(c3nc(C(F)(F)F)c[nH]3)CC2)c1[O-] ZINC000369742718 499440008 /nfs/dbraw/zinc/44/00/08/499440008.db2.gz UGVRDZAMUWKKTB-UHFFFAOYSA-N -1 3 353.344 3.462 20 0 FGADHM CSc1ccc(C(=O)N2CCC[C@@H]2c2nnc3n2CCCCC3)c([O-])c1 ZINC000373047206 499448851 /nfs/dbraw/zinc/44/88/51/499448851.db2.gz CNIIRXFTHATTNN-OAHLLOKOSA-N -1 3 372.494 3.409 20 0 FGADHM CSc1ccc(C(=O)N2CCC(c3nncn3C(C)C)CC2)c([O-])c1 ZINC000373057160 499449303 /nfs/dbraw/zinc/44/93/03/499449303.db2.gz MDNODUZHINUNQU-UHFFFAOYSA-N -1 3 360.483 3.306 20 0 FGADHM O=C([O-])c1ccccc1OCCN1CCC[C@H](n2cnc3ccccc32)C1 ZINC000373235891 499459214 /nfs/dbraw/zinc/45/92/14/499459214.db2.gz WTPUOEYNFQIWCK-INIZCTEOSA-N -1 3 365.433 3.450 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)c2ccccc2Br)c1-c1ccncc1 ZINC000373419819 499468810 /nfs/dbraw/zinc/46/88/10/499468810.db2.gz WQENYYUBRCGXQP-UHFFFAOYSA-N -1 3 357.211 3.217 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@H](C)Oc2ccccc2Cl)c1-c1ccncc1 ZINC000373426929 499469133 /nfs/dbraw/zinc/46/91/33/499469133.db2.gz OIOOTRKWANVNOI-LBPRGKRZSA-N -1 3 356.813 3.261 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)c1-c1ccncc1 ZINC000373428354 499469140 /nfs/dbraw/zinc/46/91/40/499469140.db2.gz UKBOTTQACYOEER-KGLIPLIRSA-N -1 3 354.360 3.222 20 0 FGADHM CC(=O)N1CCC[C@H]1[C@H]1CCCN1C(=O)c1cc([O-])c2ccccc2c1 ZINC000373461088 499471294 /nfs/dbraw/zinc/47/12/94/499471294.db2.gz PUBPPWZXEULBIL-RBUKOAKNSA-N -1 3 352.434 3.161 20 0 FGADHM Cc1nc(C)c(CCC(=O)Nc2nc(-c3c(F)cccc3F)co2)c(=O)[n-]1 ZINC000378196301 499489137 /nfs/dbraw/zinc/48/91/37/499489137.db2.gz KJOYFBQKRIKLKA-UHFFFAOYSA-N -1 3 374.347 3.304 20 0 FGADHM O=c1nc(CN2C[C@H](O)C3(CC3)C2)[n-]c2scc(-c3ccccc3)c21 ZINC000375307536 499505673 /nfs/dbraw/zinc/50/56/73/499505673.db2.gz HNYKVMPUPABERO-AWEZNQCLSA-N -1 3 353.447 3.021 20 0 FGADHM O=c1nc(CN2CCC[C@@]23CCOC3)[n-]c2scc(-c3ccco3)c21 ZINC000375328206 499507777 /nfs/dbraw/zinc/50/77/77/499507777.db2.gz SVIMVBSOQDTDEF-SFHVURJKSA-N -1 3 357.435 3.412 20 0 FGADHM O=C(N[C@@H]1CCN(c2ccc(Cl)cc2)C1)c1cc(=O)c2ccccc2[n-]1 ZINC000378470757 499521143 /nfs/dbraw/zinc/52/11/43/499521143.db2.gz KKIWOCKPEFKYIS-CQSZACIVSA-N -1 3 367.836 3.190 20 0 FGADHM COc1ccc([C@H](NC(=O)/C=C/c2cncc([O-])c2)C2CCOCC2)cc1 ZINC000378605575 499537056 /nfs/dbraw/zinc/53/70/56/499537056.db2.gz JYIDSDDYURRQIC-ZIISPWIQSA-N -1 3 368.433 3.093 20 0 FGADHM COC(=O)c1ccc(F)c([N-]S(=O)(=O)c2c(C)cc(F)cc2C)c1 ZINC000392229827 499558269 /nfs/dbraw/zinc/55/82/69/499558269.db2.gz OIVGNKWXQWKTOP-UHFFFAOYSA-N -1 3 355.362 3.169 20 0 FGADHM Cc1nc(C)n(C[C@H]2CCCN2C(=O)c2cc([O-])c3ccccc3c2)n1 ZINC000375822042 499559058 /nfs/dbraw/zinc/55/90/58/499559058.db2.gz FEXIBQHAJOQCPB-QGZVFWFLSA-N -1 3 350.422 3.059 20 0 FGADHM COCCC(C)(C)[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000398272887 499567305 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363.347 3.384 20 0 FGADHM CCN(c1ccccc1)c1cc(NCc2n[n-]c(C(F)(F)F)n2)ncn1 ZINC000432163364 500478688 /nfs/dbraw/zinc/47/86/88/500478688.db2.gz AWPHLWLNSAHAPT-UHFFFAOYSA-N -1 3 363.347 3.384 20 0 FGADHM CCN(c1ccccc1)c1cc(NCc2nc(C(F)(F)F)n[n-]2)ncn1 ZINC000432163364 500478689 /nfs/dbraw/zinc/47/86/89/500478689.db2.gz AWPHLWLNSAHAPT-UHFFFAOYSA-N -1 3 363.347 3.384 20 0 FGADHM CC(C)(C)OCc1cc(C[N-]S(=O)(=O)CC23CCC(CC2)CC3)no1 ZINC000432200347 500482933 /nfs/dbraw/zinc/48/29/33/500482933.db2.gz GKUXNQCUXLKZCJ-UHFFFAOYSA-N -1 3 370.515 3.380 20 0 FGADHM CC[C@@H](CS(=O)(=O)[N-][C@H](C)c1nc(-c2ccccc2)cs1)OC ZINC000420677740 500487219 /nfs/dbraw/zinc/48/72/19/500487219.db2.gz NEDZTZGVGCURGO-OCCSQVGLSA-N -1 3 354.497 3.216 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F)[C@H]1CCCO1 ZINC000420695291 500489237 /nfs/dbraw/zinc/48/92/37/500489237.db2.gz NCGHBPVAADCOQX-WDEREUQCSA-N -1 3 369.817 3.177 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]CCC2CC(OC(C)(C)C)C2)c(F)c1 ZINC000432331925 500500005 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CC(C)C1CCC(NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)CC1 ZINC000436959162 500579561 /nfs/dbraw/zinc/57/95/61/500579561.db2.gz GLPQZVIGSHYSDH-UHFFFAOYSA-N -1 3 373.497 3.074 20 0 FGADHM COC(=O)c1cc(C(=O)Nc2ccccc2OC[C@@H]2CCCCO2)c[n-]1 ZINC000432872378 500581783 /nfs/dbraw/zinc/58/17/83/500581783.db2.gz PNUWFTVUYQTDAF-AWEZNQCLSA-N -1 3 358.394 3.002 20 0 FGADHM CC1(C)CN(CC(F)(F)F)CCN1C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000436976674 500584303 /nfs/dbraw/zinc/58/43/03/500584303.db2.gz COHCUMWUMFSPGE-UHFFFAOYSA-N -1 3 370.415 3.370 20 0 FGADHM CCCCOc1ccc(C(=O)NCCc2cnc(C3CC3)nc2)c([O-])c1 ZINC000436982807 500586162 /nfs/dbraw/zinc/58/61/62/500586162.db2.gz VBGYNPIDODTODL-UHFFFAOYSA-N -1 3 355.438 3.211 20 0 FGADHM CCCCOc1ccc(C(=O)N2CCC[C@@H]2[C@H](O)C(F)(F)F)c([O-])c1 ZINC000436991491 500587886 /nfs/dbraw/zinc/58/78/86/500587886.db2.gz YHUIJPYZGWMRFG-HIFRSBDPSA-N -1 3 361.360 3.099 20 0 FGADHM COCCNc1ccccc1CNC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436989951 500588112 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Cc1ccc(C(=O)NCCC(=O)N[C@H]2C[C@H](c3ccccc3C)C2)c([O-])c1 ZINC000436494399 501138702 /nfs/dbraw/zinc/13/87/02/501138702.db2.gz LZNOAHRMKYVJCY-QAQDUYKDSA-N -1 3 366.461 3.191 20 0 FGADHM O=C(NCC[C@@H](O)C(F)(F)F)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436498433 501140179 /nfs/dbraw/zinc/14/01/79/501140179.db2.gz WAEMYIUKYRYUPI-OAHLLOKOSA-N -1 3 355.312 3.228 20 0 FGADHM C[C@H]1CCC[C@@]1(C)C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000449979363 501143901 /nfs/dbraw/zinc/14/39/01/501143901.db2.gz QFWSQBUISFIKER-APPDUMDISA-N -1 3 354.447 3.031 20 0 FGADHM COC(=O)c1ccc([O-])c(NC(=O)[C@H]2CCCCN2Cc2ccccc2)c1 ZINC000436515299 501145509 /nfs/dbraw/zinc/14/55/09/501145509.db2.gz SAYITVWIGOWVQS-GOSISDBHSA-N -1 3 368.433 3.172 20 0 FGADHM CCc1ccc(C(=O)N[C@H](Cn2ccccc2=O)c2ccccc2)c([O-])c1 ZINC000436515873 501145694 /nfs/dbraw/zinc/14/56/94/501145694.db2.gz RYJTWFJBCLVZAK-LJQANCHMSA-N -1 3 362.429 3.288 20 0 FGADHM COc1ccccc1[C@H]1CN(C(=O)c2cc3c(cc2[O-])CCCC3)CCN1 ZINC000436519989 501146192 /nfs/dbraw/zinc/14/61/92/501146192.db2.gz SUHVXZFPBPDDIP-LJQANCHMSA-N -1 3 366.461 3.066 20 0 FGADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CCN(c2ccc(Cl)cn2)CC1 ZINC000436539053 501150952 /nfs/dbraw/zinc/15/09/52/501150952.db2.gz MVZPOUCXTQHRCS-UHFFFAOYSA-N -1 3 371.868 3.282 20 0 FGADHM COc1ccc(CN2CCC(CNC(=O)c3cc(F)ccc3[O-])CC2)cc1 ZINC000436541033 501151640 /nfs/dbraw/zinc/15/16/40/501151640.db2.gz RVWXPOHHLLVOLF-UHFFFAOYSA-N -1 3 372.440 3.182 20 0 FGADHM CC(=O)c1ccc(C(=O)Nc2cccc(N3CCCCC3=O)c2)cc1[O-] ZINC000436553574 501155102 /nfs/dbraw/zinc/15/51/02/501155102.db2.gz CZIJCNVSKLOBNF-UHFFFAOYSA-N -1 3 352.390 3.364 20 0 FGADHM CN(C(=O)c1cc(Cc2ccccc2)ccc1[O-])[C@@H]1CN2CCC1CC2 ZINC000436558855 501157135 /nfs/dbraw/zinc/15/71/35/501157135.db2.gz RCTVLPVYYHVGTI-HXUWFJFHSA-N -1 3 350.462 3.149 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3ccc4c(c3)OCCCO4)c[n-]c12 ZINC000607716868 506237281 /nfs/dbraw/zinc/23/72/81/506237281.db2.gz HCYJUESNDSBODP-UHFFFAOYSA-N -1 3 368.364 3.389 20 0 FGADHM CN1CCN(C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)C2(CCCCC2)C1 ZINC000436572077 501159641 /nfs/dbraw/zinc/15/96/41/501159641.db2.gz FFKBVIMUNLRBPM-UHFFFAOYSA-N -1 3 358.482 3.196 20 0 FGADHM COc1ccc(C(=O)N[C@@H](C)c2ccc(-n3ccnc3C)cc2)c([O-])c1 ZINC000436582208 501162208 /nfs/dbraw/zinc/16/22/08/501162208.db2.gz HOXQHYRJJDHBNY-ZDUSSCGKSA-N -1 3 351.406 3.386 20 0 FGADHM C[C@H](O)C[C@H](CNC(=O)c1ccc2c(c1[O-])OC(C)(C)C2)c1ccccc1 ZINC000436583458 501162718 /nfs/dbraw/zinc/16/27/18/501162718.db2.gz HBLOVYRSRDVBAK-WMLDXEAASA-N -1 3 369.461 3.390 20 0 FGADHM Cc1ccc(CNC(=O)c2ccc(C)c(C)c2[O-])c(N2CCOCC2)c1 ZINC000436589198 501164298 /nfs/dbraw/zinc/16/42/98/501164298.db2.gz PBKCGDVDUFYSSX-UHFFFAOYSA-N -1 3 354.450 3.084 20 0 FGADHM CC[C@@H](C)NC(=O)c1cc(CN2C(=O)c3ccccc3C2=O)cc(C)c1[O-] ZINC000436593430 501165694 /nfs/dbraw/zinc/16/56/94/501165694.db2.gz BRUQOKKPMVYKBR-CYBMUJFWSA-N -1 3 366.417 3.025 20 0 FGADHM O=C(NCCc1csc(=O)[nH]1)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436595497 501165796 /nfs/dbraw/zinc/16/57/96/501165796.db2.gz LVKWYPCARGARDH-UHFFFAOYSA-N -1 3 368.458 3.312 20 0 FGADHM CN(C)c1cccc(CN(C)C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)c1 ZINC000436593355 501165930 /nfs/dbraw/zinc/16/59/30/501165930.db2.gz DKXONLUOSSIXKJ-UHFFFAOYSA-N -1 3 354.450 3.444 20 0 FGADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCN2CCC1CC2 ZINC000436595623 501166034 /nfs/dbraw/zinc/16/60/34/501166034.db2.gz MZSHSTZAOPLUDH-UHFFFAOYSA-N -1 3 350.462 3.098 20 0 FGADHM O=C(N[C@H](C(=O)Nc1ccccc1)c1ccccc1)c1ccc(O)cc1[O-] ZINC000436596239 501166093 /nfs/dbraw/zinc/16/60/93/501166093.db2.gz PNIKQUIPKICTAH-IBGZPJMESA-N -1 3 362.385 3.208 20 0 FGADHM CCOc1ccc(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)cc1CO ZINC000436598900 501166726 /nfs/dbraw/zinc/16/67/26/501166726.db2.gz CCSJYPZJUYGFAX-UHFFFAOYSA-N -1 3 357.406 3.249 20 0 FGADHM Cc1cc(NC(=O)c2cc(CCc3ccccc3)ccc2[O-])cn(C)c1=O ZINC000436600762 501167644 /nfs/dbraw/zinc/16/76/44/501167644.db2.gz ICKJZELAAGVTSY-UHFFFAOYSA-N -1 3 362.429 3.437 20 0 FGADHM COC(=O)c1ccsc1[N-]C(=O)C(=O)N(C)[C@@H](C)c1ccccc1C ZINC000441729651 501167888 /nfs/dbraw/zinc/16/78/88/501167888.db2.gz PPLVVUJCZGCCRS-LBPRGKRZSA-N -1 3 360.435 3.001 20 0 FGADHM CN1C(=O)c2ccc(-c3nc(-c4ccc([O-])c5ccccc45)no3)cc2C1=O ZINC000436610154 501169431 /nfs/dbraw/zinc/16/94/31/501169431.db2.gz JLQLFDMFOSJMOI-UHFFFAOYSA-N -1 3 371.352 3.488 20 0 FGADHM CS[C@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C[C@H]1N1CCCC1 ZINC000436610075 501169451 /nfs/dbraw/zinc/16/94/51/501169451.db2.gz JELGORVRKOJHCM-HIFRSBDPSA-N -1 3 374.428 3.063 20 0 FGADHM C[C@H](NC(=O)c1cc(CCc2ccccc2)ccc1[O-])C(=O)NC(C)(C)C ZINC000436613301 501170274 /nfs/dbraw/zinc/17/02/74/501170274.db2.gz UPWPEAPOCXYJRZ-HNNXBMFYSA-N -1 3 368.477 3.210 20 0 FGADHM CC(C)c1ccc(-n2cc([O-])c(C(=O)N[C@H]3C[C@H](C)N(C4CC4)C3)n2)cc1 ZINC000441773037 501170563 /nfs/dbraw/zinc/17/05/63/501170563.db2.gz DQSVATHNPMTGGW-HOCLYGCPSA-N -1 3 368.481 3.056 20 0 FGADHM O=C(c1ccc([O-])cc1)N1CCN(CCCSCc2ccccc2)CC1 ZINC000436617219 501171309 /nfs/dbraw/zinc/17/13/09/501171309.db2.gz MPFMWKQVGMZLTA-UHFFFAOYSA-N -1 3 370.518 3.474 20 0 FGADHM CC(C)c1ccc(C(=O)NC[C@H](c2cccs2)N2CCOCC2)c([O-])c1 ZINC000436627479 501173223 /nfs/dbraw/zinc/17/32/23/501173223.db2.gz TYRYBAWZKVWBOH-QGZVFWFLSA-N -1 3 374.506 3.380 20 0 FGADHM Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)NCc1cnc(C)[n-]c1=O ZINC000446856919 501174063 /nfs/dbraw/zinc/17/40/63/501174063.db2.gz RKHRNHCCUJYCNV-AWEZNQCLSA-N -1 3 368.359 3.292 20 0 FGADHM COc1ccc(C(=O)N(C)CCc2cccc(Br)c2)c([O-])c1 ZINC000436639847 501176528 /nfs/dbraw/zinc/17/65/28/501176528.db2.gz FFXWQJTYANSXLC-UHFFFAOYSA-N -1 3 364.239 3.478 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](C)[C@H](c2ccccc2C)N(C)C)c1 ZINC000436641228 501176722 /nfs/dbraw/zinc/17/67/22/501176722.db2.gz MHHVLGDPZJOBTP-JLTOFOAXSA-N -1 3 369.465 3.080 20 0 FGADHM CCCC[C@H](NC(=O)c1cc(OC)c([O-])c(OC)c1)C(=O)OC(C)(C)C ZINC000436652579 501179461 /nfs/dbraw/zinc/17/94/61/501179461.db2.gz OOXIHOKMHYYFTM-ZDUSSCGKSA-N -1 3 367.442 3.040 20 0 FGADHM CC[C@@H](NC(=O)CCNC(=O)c1ccc(C)cc1[O-])c1ccc(OC)cc1 ZINC000436664882 501182207 /nfs/dbraw/zinc/18/22/07/501182207.db2.gz MIIDFLXRPNJPAZ-GOSISDBHSA-N -1 3 370.449 3.097 20 0 FGADHM CC(=O)c1ccc(C(=O)N[C@@H]2CCCN(c3ccccc3F)C2)cc1[O-] ZINC000436663669 501182354 /nfs/dbraw/zinc/18/23/54/501182354.db2.gz ICUQOTNUSXYCSC-OAHLLOKOSA-N -1 3 356.397 3.133 20 0 FGADHM O=C(NC[C@H](c1cccc(Cl)c1)N1CCCC1)c1c([O-])cccc1O ZINC000436674604 501185167 /nfs/dbraw/zinc/18/51/67/501185167.db2.gz VRSKTZCXXIIGNS-OAHLLOKOSA-N -1 3 360.841 3.318 20 0 FGADHM Cc1ccc(S[C@H](C)C(=O)NCCCNC(=O)c2cccc([O-])c2)cc1 ZINC000588218751 506239248 /nfs/dbraw/zinc/23/92/48/506239248.db2.gz BPXCARBIJCAGSG-OAHLLOKOSA-N -1 3 372.490 3.118 20 0 FGADHM Cc1nc(CN(C)C(=O)c2cc(CCc3ccccc3)ccc2[O-])no1 ZINC000436678822 501186019 /nfs/dbraw/zinc/18/60/19/501186019.db2.gz IGGSADVJJUXWGE-UHFFFAOYSA-N -1 3 351.406 3.141 20 0 FGADHM Cc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)c1C ZINC000446969959 501188783 /nfs/dbraw/zinc/18/87/83/501188783.db2.gz SZRFJKDHFOGXEG-UHFFFAOYSA-N -1 3 373.883 3.161 20 0 FGADHM Cc1ccccc1-c1cc(=NC(=O)C(=O)Nc2cccc(Cl)c2F)[nH][n-]1 ZINC000436693453 501189701 /nfs/dbraw/zinc/18/97/01/501189701.db2.gz UPZNXTBFEPSLDM-UHFFFAOYSA-N -1 3 372.787 3.177 20 0 FGADHM COc1cc(-c2nc(-c3ccnc(OC4CCC4)c3)no2)cc(OC)c1[O-] ZINC000436690932 501189844 /nfs/dbraw/zinc/18/98/44/501189844.db2.gz SDNODSYWNUFOOF-UHFFFAOYSA-N -1 3 369.377 3.453 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N(Cc2ccccc2)C2CC2)c([O-])c1 ZINC000436706682 501193131 /nfs/dbraw/zinc/19/31/31/501193131.db2.gz MXSNSIVQLWOYIR-UHFFFAOYSA-N -1 3 352.434 3.012 20 0 FGADHM CCc1cc(C(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)oc1CC ZINC000436708226 501193372 /nfs/dbraw/zinc/19/33/72/501193372.db2.gz IQPCQOHPMDLFQC-UHFFFAOYSA-N -1 3 370.449 3.145 20 0 FGADHM CC(=O)N1CC[C@H](NC(=O)c2cc3c(cc2[O-])CCCC3)c2ccccc21 ZINC000436714239 501194804 /nfs/dbraw/zinc/19/48/04/501194804.db2.gz HQNLWBJQONTLFX-IBGZPJMESA-N -1 3 364.445 3.499 20 0 FGADHM COC(=O)c1c(CC(C)C)csc1[N-]C(=O)C(=O)N1[C@@H](C)CC[C@@H]1C ZINC000442064533 501194886 /nfs/dbraw/zinc/19/48/86/501194886.db2.gz TWLGHSYHIGPMFM-RYUDHWBXSA-N -1 3 366.483 3.071 20 0 FGADHM Cc1cccc(C(=O)N2CCOc3ccc(Br)cc3C2)c1[O-] ZINC000436714499 501194941 /nfs/dbraw/zinc/19/49/41/501194941.db2.gz IFOIPRLQBFCNJT-UHFFFAOYSA-N -1 3 362.223 3.498 20 0 FGADHM C[C@H](CNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])c1ccc(F)cc1 ZINC000436722450 501197295 /nfs/dbraw/zinc/19/72/95/501197295.db2.gz NMRFXAMRTVUPOJ-KDOFPFPSSA-N -1 3 370.424 3.056 20 0 FGADHM Cc1ccccc1C[C@H](C)N(C)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000447055783 501198245 /nfs/dbraw/zinc/19/82/45/501198245.db2.gz ILQSRDAUYXPAMD-HNNXBMFYSA-N -1 3 360.479 3.070 20 0 FGADHM COc1ccc(C(=O)NCCc2csc(-c3ccccc3)n2)c([O-])c1 ZINC000436733002 501199791 /nfs/dbraw/zinc/19/97/91/501199791.db2.gz VUCMDWSXBHIRBX-UHFFFAOYSA-N -1 3 354.431 3.497 20 0 FGADHM Cc1cc(F)ccc1CN(C)C(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436736476 501201014 /nfs/dbraw/zinc/20/10/14/501201014.db2.gz INSDSPBDUBRKQC-GOSISDBHSA-N -1 3 370.424 3.103 20 0 FGADHM O=C(CCNC(=O)c1cc(Oc2ccccc2)ccc1[O-])N1CCCCC1 ZINC000436738519 501201396 /nfs/dbraw/zinc/20/13/96/501201396.db2.gz OETNWRBREBBEBI-UHFFFAOYSA-N -1 3 368.433 3.317 20 0 FGADHM CC[C@H](C)c1nnc([C@@H](C)NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)[nH]1 ZINC000436742545 501202027 /nfs/dbraw/zinc/20/20/27/501202027.db2.gz XRKRTJWDYALXFZ-WDEREUQCSA-N -1 3 358.442 3.228 20 0 FGADHM O=C(CCc1ccc2ccccc2c1[O-])N1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000450182441 501203089 /nfs/dbraw/zinc/20/30/89/501203089.db2.gz CLHZSJHHSYHRAB-CRAIPNDOSA-N -1 3 367.367 3.392 20 0 FGADHM CCCc1csc(CNC2CCN(C(=O)c3ccccc3[O-])CC2)n1 ZINC000436749543 501204057 /nfs/dbraw/zinc/20/40/57/501204057.db2.gz KCIAXRLUQKBSRM-UHFFFAOYSA-N -1 3 359.495 3.196 20 0 FGADHM Cc1nc2ccccc2n1CCNC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436777988 501209865 /nfs/dbraw/zinc/20/98/65/501209865.db2.gz OWSJYSSXXZUSTJ-UHFFFAOYSA-N -1 3 365.433 3.194 20 0 FGADHM CCc1cccc2c1OCC[C@@H]2NC(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000436778610 501209965 /nfs/dbraw/zinc/20/99/65/501209965.db2.gz RTZSXJLVXYSNGB-HNNXBMFYSA-N -1 3 357.406 3.225 20 0 FGADHM Cc1nc(S(=O)(=O)[N-][C@H](c2ccccc2F)C2CCCC2)cn1C ZINC000447158880 501210191 /nfs/dbraw/zinc/21/01/91/501210191.db2.gz ROPAXXDKTYBWPI-KRWDZBQOSA-N -1 3 351.447 3.077 20 0 FGADHM CCOC(=O)[C@H](Cc1cccc(Cl)c1)NC(=O)c1ccc([O-])c(C)c1 ZINC000436778162 501210385 /nfs/dbraw/zinc/21/03/85/501210385.db2.gz FYXKRMDCTFSLSD-INIZCTEOSA-N -1 3 361.825 3.258 20 0 FGADHM COc1cn(-c2ccccc2)nc1-c1nc(-c2ccc([O-])c(OC)c2)no1 ZINC000436786588 501211568 /nfs/dbraw/zinc/21/15/68/501211568.db2.gz STEVSEGEKCLBJL-UHFFFAOYSA-N -1 3 364.361 3.312 20 0 FGADHM COc1cc(-c2noc(-c3cnc(-c4ncccn4)s3)n2)ccc1[O-] ZINC000436791653 501212100 /nfs/dbraw/zinc/21/21/00/501212100.db2.gz SNMARIATMRSVBC-UHFFFAOYSA-N -1 3 353.363 3.031 20 0 FGADHM Cc1ccc(C(=O)N2CCC(NC(=O)c3ccc(C)c(C)c3[O-])CC2)cc1 ZINC000436796066 501212868 /nfs/dbraw/zinc/21/28/68/501212868.db2.gz TUDIXAHIXIEEPE-UHFFFAOYSA-N -1 3 366.461 3.352 20 0 FGADHM CCc1ccc(C(=O)N(Cc2ccccc2)C[C@]2(O)CCO[C@H]2C)c([O-])c1 ZINC000436809021 501215005 /nfs/dbraw/zinc/21/50/05/501215005.db2.gz RAUUTIPBDVPQDF-KSFYIVLOSA-N -1 3 369.461 3.137 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)NCC(C)(C)c2ccc(F)cc2)c([O-])c1 ZINC000436810911 501215037 /nfs/dbraw/zinc/21/50/37/501215037.db2.gz SNMRJNGHVPQQQS-UHFFFAOYSA-N -1 3 372.440 3.054 20 0 FGADHM CC[C@H]1Cc2ccccc2CN1C(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC000436818313 501215712 /nfs/dbraw/zinc/21/57/12/501215712.db2.gz KGLMCAPWEIWXJM-SFHVURJKSA-N -1 3 366.461 3.184 20 0 FGADHM COc1ccc(-c2cnc(NC(=O)c3cc(C)cc(OC)c3[O-])n2C)cc1 ZINC000436821387 501216481 /nfs/dbraw/zinc/21/64/81/501216481.db2.gz PJSPKRAQWWTWAV-UHFFFAOYSA-N -1 3 367.405 3.371 20 0 FGADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCC(O)(C(F)F)CC1 ZINC000436840547 501219641 /nfs/dbraw/zinc/21/96/41/501219641.db2.gz XIHGHLQYLIDLAB-UHFFFAOYSA-N -1 3 363.360 3.417 20 0 FGADHM CCOCCOCCN(C)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436843178 501220041 /nfs/dbraw/zinc/22/00/41/501220041.db2.gz YJRLZMPTSUDYIQ-UHFFFAOYSA-N -1 3 359.422 3.310 20 0 FGADHM COCCCOc1ccc(NC(=O)c2cc(OC)ccc2[O-])cc1OC ZINC000436857706 501222350 /nfs/dbraw/zinc/22/23/50/501222350.db2.gz BWPRTJAPZCYMAL-UHFFFAOYSA-N -1 3 361.394 3.077 20 0 FGADHM COC(=O)[C@@H]1CCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])[C@@H]1C ZINC000436864355 501223337 /nfs/dbraw/zinc/22/33/37/501223337.db2.gz YOEVWCVGTAUJNR-CRAIPNDOSA-N -1 3 367.445 3.201 20 0 FGADHM CC(=O)c1ccc(C(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)cc1[O-] ZINC000436867918 501224589 /nfs/dbraw/zinc/22/45/89/501224589.db2.gz FZDFJHPWFQCUSW-UHFFFAOYSA-N -1 3 361.401 3.401 20 0 FGADHM Cc1nc(COc2ccccc2-c2nc(-c3ccc([O-])cc3)no2)no1 ZINC000436869932 501224719 /nfs/dbraw/zinc/22/47/19/501224719.db2.gz MAAFRJRTUKRHAM-UHFFFAOYSA-N -1 3 350.334 3.380 20 0 FGADHM COC(=O)[C@H](NC(=O)c1ccc(C)cc1[O-])c1ccc(OC)c(Cl)c1 ZINC000436879748 501226147 /nfs/dbraw/zinc/22/61/47/501226147.db2.gz NTEBXYYPZZGTMO-MRXNPFEDSA-N -1 3 363.797 3.007 20 0 FGADHM CC(C)(C)OC(=O)c1cccc(CN2CCC[C@H](c3n[n-]c(=O)o3)C2)c1 ZINC000450902764 501226664 /nfs/dbraw/zinc/22/66/64/501226664.db2.gz KKVJYYBDQWQQJU-HNNXBMFYSA-N -1 3 359.426 3.110 20 0 FGADHM Cc1cccc([C@H](C)C(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)c1 ZINC000436899211 501229592 /nfs/dbraw/zinc/22/95/92/501229592.db2.gz CFTJRTSLQMDLGW-INIZCTEOSA-N -1 3 366.461 3.225 20 0 FGADHM Cc1cc(C(=O)N[C@H](c2nc(-c3cccnc3)no2)C(C)C)ccc1[O-] ZINC000436902905 501230093 /nfs/dbraw/zinc/23/00/93/501230093.db2.gz LDBWNWDOMDFFFI-INIZCTEOSA-N -1 3 352.394 3.273 20 0 FGADHM COc1ccc(C(=O)NCc2c(Cl)cccc2-n2ccnc2)c([O-])c1 ZINC000436906879 501230814 /nfs/dbraw/zinc/23/08/14/501230814.db2.gz FIBDMZJMDDLPOC-UHFFFAOYSA-N -1 3 357.797 3.170 20 0 FGADHM Cc1cc(Br)ccc1CN(C)C(=O)c1c([O-])cccc1O ZINC000436910462 501231252 /nfs/dbraw/zinc/23/12/52/501231252.db2.gz OEJSUZXHNSFGNO-UHFFFAOYSA-N -1 3 350.212 3.441 20 0 FGADHM CN(CCN(C)C(=O)c1cc(Cc2ccccc2)ccc1[O-])CC(F)F ZINC000436913465 501231904 /nfs/dbraw/zinc/23/19/04/501231904.db2.gz GUTHRRZVVAYTGM-UHFFFAOYSA-N -1 3 362.420 3.252 20 0 FGADHM Cc1ccc(NC(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)cc1C ZINC000436922393 501233249 /nfs/dbraw/zinc/23/32/49/501233249.db2.gz XRXIHUAOLGQOKK-UHFFFAOYSA-N -1 3 367.449 3.435 20 0 FGADHM CCOc1ccc(S(=O)(=O)[N-]C(C)(C)C(F)(F)F)cc1OCC ZINC000451033284 501240704 /nfs/dbraw/zinc/24/07/04/501240704.db2.gz SVZGEKDCGNDBJE-UHFFFAOYSA-N -1 3 355.378 3.103 20 0 FGADHM CC(=O)Nc1ccc(S(=O)(=O)[N-][C@@H](C)C(C)(F)F)c2ccccc12 ZINC000451070911 501243177 /nfs/dbraw/zinc/24/31/77/501243177.db2.gz PTYDNOBAJZLSAW-JTQLQIEISA-N -1 3 356.394 3.120 20 0 FGADHM Cc1csc(S(=O)(=O)[N-]CCCCOCCc2ccccc2)c1 ZINC000451081275 501243934 /nfs/dbraw/zinc/24/39/34/501243934.db2.gz DJQAQSWPIAVQMJ-UHFFFAOYSA-N -1 3 353.509 3.374 20 0 FGADHM CCOc1ccncc1S(=O)(=O)[N-][C@H](C)c1nc(C(C)(C)C)cs1 ZINC000451172804 501249978 /nfs/dbraw/zinc/24/99/78/501249978.db2.gz SPKQWLMSRXBPFB-LLVKDONJSA-N -1 3 369.512 3.274 20 0 FGADHM Cc1cccc(N2CCC([N-]S(=O)(=O)c3sccc3Cl)CC2)n1 ZINC000451206564 501252068 /nfs/dbraw/zinc/25/20/68/501252068.db2.gz GDSSYMQYWHEZNN-UHFFFAOYSA-N -1 3 371.915 3.052 20 0 FGADHM CC(C)CC[C@](C)(O)C[N-]S(=O)(=O)Cc1c(F)cccc1Cl ZINC000451229743 501253755 /nfs/dbraw/zinc/25/37/55/501253755.db2.gz ADFYGZYQQBQXJH-HNNXBMFYSA-N -1 3 351.871 3.086 20 0 FGADHM CO[C@@H](C[N-]S(=O)(=O)C[C@H]1CCCCC1(F)F)c1ccc(F)cc1 ZINC000451264185 501256204 /nfs/dbraw/zinc/25/62/04/501256204.db2.gz SFTCZTJSZWCKFD-HIFRSBDPSA-N -1 3 365.417 3.258 20 0 FGADHM CCOc1nc2cc(C(=O)N3CCC(c4ccnn4CC)CC3)ccc2[n-]1 ZINC000451299687 501259633 /nfs/dbraw/zinc/25/96/33/501259633.db2.gz KNIBNIFHPKJSIT-UHFFFAOYSA-N -1 3 367.453 3.198 20 0 FGADHM CCOc1nc2ccc(C(=O)N3CCC(c4ccnn4CC)CC3)cc2[n-]1 ZINC000451299687 501259636 /nfs/dbraw/zinc/25/96/36/501259636.db2.gz KNIBNIFHPKJSIT-UHFFFAOYSA-N -1 3 367.453 3.198 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1sccc1Cl)[C@@H]1CCCN(C2CCC2)C1 ZINC000451384265 501280629 /nfs/dbraw/zinc/28/06/29/501280629.db2.gz NDQOKWCSPUJAPW-NWDGAFQWSA-N -1 3 362.948 3.333 20 0 FGADHM CC[C@@H](NC(=O)Cc1noc(Cc2ccc([O-])c(F)c2)n1)c1ccccc1 ZINC000453176824 501286071 /nfs/dbraw/zinc/28/60/71/501286071.db2.gz PTNWHLKNXCSGJT-MRXNPFEDSA-N -1 3 369.396 3.315 20 0 FGADHM CCc1nc(C(C)(C)[N-]S(=O)(=O)c2ccc3ccccc3c2F)no1 ZINC000451503416 501308115 /nfs/dbraw/zinc/30/81/15/501308115.db2.gz QVEBUVCAIIHQDO-UHFFFAOYSA-N -1 3 363.414 3.138 20 0 FGADHM CCOc1ccncc1S(=O)(=O)[N-][C@H](C)c1ccc(SC)cc1 ZINC000451506946 501308796 /nfs/dbraw/zinc/30/87/96/501308796.db2.gz LMHABJLGHPGSPT-GFCCVEGCSA-N -1 3 352.481 3.242 20 0 FGADHM Cc1n[nH]cc1CCC[N-]S(=O)(=O)c1oc2ccc(Cl)cc2c1C ZINC000451543197 501318284 /nfs/dbraw/zinc/31/82/84/501318284.db2.gz BGJWOUMHYYFLIQ-UHFFFAOYSA-N -1 3 367.858 3.337 20 0 FGADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@H](C)Cc1cnn(C)c1 ZINC000457840513 501320133 /nfs/dbraw/zinc/32/01/33/501320133.db2.gz HIAGIFCAXVWAIQ-SECBINFHSA-N -1 3 352.232 3.014 20 0 FGADHM O=S(=O)(C[C@H]1CCCC1(F)F)[N-][C@H]1COc2cccc(Cl)c21 ZINC000451560570 501324730 /nfs/dbraw/zinc/32/47/30/501324730.db2.gz WLNFIWSFADYDNP-KOLCDFICSA-N -1 3 351.802 3.128 20 0 FGADHM CSc1ccc([C@H](C[N-]S(=O)(=O)c2cc(C)cs2)N(C)C)cc1 ZINC000451600383 501334072 /nfs/dbraw/zinc/33/40/72/501334072.db2.gz YKVGQNBCAKQMSA-HNNXBMFYSA-N -1 3 370.565 3.360 20 0 FGADHM O=S(=O)([N-]C[C@H]1CSc2ccccc21)c1cnccc1C(F)(F)F ZINC000451613109 501336937 /nfs/dbraw/zinc/33/69/37/501336937.db2.gz MLKRWCSBZCTCJY-JTQLQIEISA-N -1 3 374.409 3.268 20 0 FGADHM CCC[C@H](C[N-]S(=O)(=O)c1cc(Cl)c(OC)cc1Cl)OC ZINC000451640318 501342233 /nfs/dbraw/zinc/34/22/33/501342233.db2.gz OXUNGDHQIZPVKF-SECBINFHSA-N -1 3 356.271 3.095 20 0 FGADHM Cc1ccc(Br)c(S(=O)(=O)[N-]C[C@H]2CCCC2(F)F)c1 ZINC000451824161 501380071 /nfs/dbraw/zinc/38/00/71/501380071.db2.gz ONSUBKYFVNJJRP-SNVBAGLBSA-N -1 3 368.243 3.471 20 0 FGADHM CC[C@@H]1C[C@H]1C[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000451822428 501380165 /nfs/dbraw/zinc/38/01/65/501380165.db2.gz HGDZQNQBRWAGDM-MJBXVCDLSA-N -1 3 373.902 3.080 20 0 FGADHM CCn1ccnc1[C@@H](C)[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000451935202 501403720 /nfs/dbraw/zinc/40/37/20/501403720.db2.gz RDOCQGLMDDUOAT-GFCCVEGCSA-N -1 3 362.480 3.066 20 0 FGADHM CCCc1ncc(C[N-]S(=O)(=O)c2cc(C)ccc2Br)o1 ZINC000451963534 501409629 /nfs/dbraw/zinc/40/96/29/501409629.db2.gz ZMXZZRHAMVDXJV-UHFFFAOYSA-N -1 3 373.272 3.177 20 0 FGADHM Cc1cccc(F)c1S(=O)(=O)[N-][C@@H](c1cccs1)C1(CO)CCC1 ZINC000452092906 501433570 /nfs/dbraw/zinc/43/35/70/501433570.db2.gz UEWRBVSASQHIIO-INIZCTEOSA-N -1 3 369.483 3.378 20 0 FGADHM O=c1nc(CN2CC[C@H](CCCO)C2)[n-]c2scc(-c3ccco3)c21 ZINC000452114171 501438371 /nfs/dbraw/zinc/43/83/71/501438371.db2.gz AIDWSDJCUOPGMB-LBPRGKRZSA-N -1 3 359.451 3.251 20 0 FGADHM CCOc1nc2cc(C(=O)N3CCOc4ccc(OC)cc4C3)ccc2[n-]1 ZINC000456183735 501470997 /nfs/dbraw/zinc/47/09/97/501470997.db2.gz IXDXPVNQBCOTQM-UHFFFAOYSA-N -1 3 367.405 3.005 20 0 FGADHM CCOc1nc2ccc(C(=O)N3CCOc4ccc(OC)cc4C3)cc2[n-]1 ZINC000456183735 501470999 /nfs/dbraw/zinc/47/09/99/501470999.db2.gz IXDXPVNQBCOTQM-UHFFFAOYSA-N -1 3 367.405 3.005 20 0 FGADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@H]1CCO[C@@H](c2ccncc2)C1 ZINC000456296452 501491115 /nfs/dbraw/zinc/49/11/15/501491115.db2.gz CVAKGCARWBZLPC-QFBILLFUSA-N -1 3 358.413 3.286 20 0 FGADHM O=C(c1cc2c(cc1[O-])CCCC2)N1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC000452505741 501515985 /nfs/dbraw/zinc/51/59/85/501515985.db2.gz SHMNHYPCIJLYKL-SIKLNZKXSA-N -1 3 369.436 3.211 20 0 FGADHM CC[C@H](C)n1c2ccc(NC(=O)c3nc[n-]n3)cc2nc1C(F)(F)F ZINC000452578684 501526062 /nfs/dbraw/zinc/52/60/62/501526062.db2.gz PWDGZEGUQGZVQV-QMMMGPOBSA-N -1 3 352.320 3.397 20 0 FGADHM CC(C)c1ncsc1NC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000456455224 501528985 /nfs/dbraw/zinc/52/89/85/501528985.db2.gz MWIKSOJKWUWFHF-UHFFFAOYSA-N -1 3 357.432 3.029 20 0 FGADHM CCc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])cc1OC ZINC000456583231 501552493 /nfs/dbraw/zinc/55/24/93/501552493.db2.gz NXEKRIPQEQDFOY-KRWDZBQOSA-N -1 3 368.433 3.207 20 0 FGADHM C[C@@H](NC(=O)Cc1ccc([O-])cc1Cl)C(=O)N1c2ccccc2C[C@H]1C ZINC000456651389 501567228 /nfs/dbraw/zinc/56/72/28/501567228.db2.gz PKKJRIDKQNIOOL-CHWSQXEVSA-N -1 3 372.852 3.071 20 0 FGADHM O=c1cc(CN2CCN(Cc3cccc(Cl)c3)CC2)nc(C2CC2)[n-]1 ZINC000459274972 501623717 /nfs/dbraw/zinc/62/37/17/501623717.db2.gz CRQNYDIPKJBNPJ-UHFFFAOYSA-N -1 3 358.873 3.031 20 0 FGADHM CCC[C@H](NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)C1CCCC1 ZINC000459280657 501624375 /nfs/dbraw/zinc/62/43/75/501624375.db2.gz KTJLMSXDPWJVQJ-IBGZPJMESA-N -1 3 373.497 3.219 20 0 FGADHM O=c1cc(CN2CCC[C@@H]2c2cccc3c2OCCO3)nc(C2CC2)[n-]1 ZINC000459331586 501632648 /nfs/dbraw/zinc/63/26/48/501632648.db2.gz WCDAVSUDFNDTQM-MRXNPFEDSA-N -1 3 353.422 3.168 20 0 FGADHM CC(C)(C)OC(=O)C1CCN(Cc2cc(=O)[n-]c(-c3ccccc3)n2)CC1 ZINC000459333057 501632700 /nfs/dbraw/zinc/63/27/00/501632700.db2.gz ZCLBSXGDGGYWQS-UHFFFAOYSA-N -1 3 369.465 3.403 20 0 FGADHM COc1cccc2c1n[n-]c2C(=O)Nc1cc(OC)c(OC)c(C)c1OC ZINC000582511432 506264752 /nfs/dbraw/zinc/26/47/52/506264752.db2.gz PELZIXFJLGBXBQ-UHFFFAOYSA-N -1 3 371.393 3.158 20 0 FGADHM COc1cccc2c(C(=O)Nc3cc(OC)c(OC)c(C)c3OC)n[n-]c21 ZINC000582511432 506264755 /nfs/dbraw/zinc/26/47/55/506264755.db2.gz PELZIXFJLGBXBQ-UHFFFAOYSA-N -1 3 371.393 3.158 20 0 FGADHM CCOc1cc(CN2CC[C@H]([C@H]3CCOC3)C2)cc(Br)c1[O-] ZINC000459336530 501633753 /nfs/dbraw/zinc/63/37/53/501633753.db2.gz HZCQWROVZNZONL-KBPBESRZSA-N -1 3 370.287 3.412 20 0 FGADHM CCN(CC(=O)Nc1c(C)cccc1C)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000459383832 501643945 /nfs/dbraw/zinc/64/39/45/501643945.db2.gz VLYKFVBVDZOZJY-UHFFFAOYSA-N -1 3 354.454 3.137 20 0 FGADHM CC(C)NC(=O)[C@H]1CCC[C@@H](NCc2cccc([O-])c2Br)C1 ZINC000459405908 501648121 /nfs/dbraw/zinc/64/81/21/501648121.db2.gz FNAXGSCYEIZYIZ-GXTWGEPZSA-N -1 3 369.303 3.328 20 0 FGADHM CC(C)c1[nH]nc(C(N)=O)c1NC(=O)CCc1ccc2ccccc2c1[O-] ZINC000457108260 501651326 /nfs/dbraw/zinc/65/13/26/501651326.db2.gz CISBLBVPLZLPRQ-UHFFFAOYSA-N -1 3 366.421 3.062 20 0 FGADHM [O-]c1cccc(CNc2cc(CSCCO)ccn2)c1Br ZINC000459463259 501658492 /nfs/dbraw/zinc/65/84/92/501658492.db2.gz LNLFBAVODUNOLI-UHFFFAOYSA-N -1 3 369.284 3.387 20 0 FGADHM CC(C)(CNC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)C1=CCCC1 ZINC000457189010 501663352 /nfs/dbraw/zinc/66/33/52/501663352.db2.gz WFSZGHIBYLALIC-UHFFFAOYSA-N -1 3 354.447 3.064 20 0 FGADHM [O-]c1cccc(CN2CC[C@H](C(F)(F)F)[C@H](CO)C2)c1Br ZINC000459552001 501675125 /nfs/dbraw/zinc/67/51/25/501675125.db2.gz YCTVONPMIVEBFZ-QWRGUYRKSA-N -1 3 368.193 3.147 20 0 FGADHM Cc1ccc(C[C@H](CO)NC(=O)CCCc2ccc([O-])c(F)c2)cc1C ZINC000457281852 501675587 /nfs/dbraw/zinc/67/55/87/501675587.db2.gz KBQQNSDHZRRPND-GOSISDBHSA-N -1 3 359.441 3.191 20 0 FGADHM [O-]c1cccc(CN[C@@H]2COc3ccc(F)cc3C2)c1Br ZINC000459565206 501677680 /nfs/dbraw/zinc/67/76/80/501677680.db2.gz GINOKQOWKSUQAP-ZDUSSCGKSA-N -1 3 352.203 3.387 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N(Cc3cnn(C)c3)CC(C)C)c[n-]c12 ZINC000457340432 501684676 /nfs/dbraw/zinc/68/46/76/501684676.db2.gz HYFNIQLMRBTPGW-UHFFFAOYSA-N -1 3 370.428 3.008 20 0 FGADHM Cc1ccc(C(C)(C)CNC(=O)N=c2cc(OC(F)F)n(C)[n-]2)c(C)c1 ZINC000455201938 501706852 /nfs/dbraw/zinc/70/68/52/501706852.db2.gz FKSRNQFUKYWACU-UHFFFAOYSA-N -1 3 366.412 3.160 20 0 FGADHM O=C(Nc1nnc(-c2cc3ccccc3o2)[n-]1)c1ccc2c(c1)CCC(=O)N2 ZINC000485129606 501731369 /nfs/dbraw/zinc/73/13/69/501731369.db2.gz FPVKOOVUARNCGE-UHFFFAOYSA-N -1 3 373.372 3.355 20 0 FGADHM O=C(Nc1nc(-c2cc3ccccc3o2)n[n-]1)c1ccc2c(c1)CCC(=O)N2 ZINC000485129606 501731375 /nfs/dbraw/zinc/73/13/75/501731375.db2.gz FPVKOOVUARNCGE-UHFFFAOYSA-N -1 3 373.372 3.355 20 0 FGADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)c1ccc2c(c1)CCC(=O)N2 ZINC000485129606 501731380 /nfs/dbraw/zinc/73/13/80/501731380.db2.gz FPVKOOVUARNCGE-UHFFFAOYSA-N -1 3 373.372 3.355 20 0 FGADHM CCn1cnc(S(=O)(=O)[N-][C@@H](C)c2ccc(-c3cccnc3)cc2)c1 ZINC000474208332 501743792 /nfs/dbraw/zinc/74/37/92/501743792.db2.gz HBPJAGSNMXEEML-AWEZNQCLSA-N -1 3 356.451 3.005 20 0 FGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@H](C)C(=O)OC(C)(C)C ZINC000470615086 501744466 /nfs/dbraw/zinc/74/44/66/501744466.db2.gz YNWWIKLUBHXGNS-SNVBAGLBSA-N -1 3 373.858 3.403 20 0 FGADHM CC(C)c1nn(-c2ccccc2)cc1C[N-]S(=O)(=O)c1cncc(F)c1 ZINC000470626586 501748078 /nfs/dbraw/zinc/74/80/78/501748078.db2.gz NIVLPKYYKKMAEB-UHFFFAOYSA-N -1 3 374.441 3.008 20 0 FGADHM Cc1ccc(-c2nnc(NC(=O)CCC(=O)c3ccc(Cl)cn3)[n-]2)o1 ZINC000470643019 501753237 /nfs/dbraw/zinc/75/32/37/501753237.db2.gz GESMHBDBQMUTOJ-UHFFFAOYSA-N -1 3 359.773 3.023 20 0 FGADHM Cc1ccc(-c2n[n-]c(NC(=O)CCC(=O)c3ccc(Cl)cn3)n2)o1 ZINC000470643019 501753241 /nfs/dbraw/zinc/75/32/41/501753241.db2.gz GESMHBDBQMUTOJ-UHFFFAOYSA-N -1 3 359.773 3.023 20 0 FGADHM Cc1ccc(-c2nc(NC(=O)CCC(=O)c3ccc(Cl)cn3)n[n-]2)o1 ZINC000470643019 501753245 /nfs/dbraw/zinc/75/32/45/501753245.db2.gz GESMHBDBQMUTOJ-UHFFFAOYSA-N -1 3 359.773 3.023 20 0 FGADHM CCOc1cc(CN2CC[C@]3(CCOC3)C2)cc(Br)c1[O-] ZINC000485228455 501761949 /nfs/dbraw/zinc/76/19/49/501761949.db2.gz QPFMRTDDYOEIDC-INIZCTEOSA-N -1 3 356.260 3.166 20 0 FGADHM O=C(N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1c[n-]nn1 ZINC000474267914 501767383 /nfs/dbraw/zinc/76/73/83/501767383.db2.gz VGNSKZLCSDHRCO-SECBINFHSA-N -1 3 352.238 3.247 20 0 FGADHM O=C(N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1cnn[n-]1 ZINC000474267914 501767389 /nfs/dbraw/zinc/76/73/89/501767389.db2.gz VGNSKZLCSDHRCO-SECBINFHSA-N -1 3 352.238 3.247 20 0 FGADHM O=C(N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1cn[n-]n1 ZINC000474267914 501767392 /nfs/dbraw/zinc/76/73/92/501767392.db2.gz VGNSKZLCSDHRCO-SECBINFHSA-N -1 3 352.238 3.247 20 0 FGADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cccc4c3CC(=O)CC4)cc2)n1 ZINC000463580158 501767501 /nfs/dbraw/zinc/76/75/01/501767501.db2.gz VWHJILQPONNEKD-UHFFFAOYSA-N -1 3 373.412 3.055 20 0 FGADHM CCSCc1cc(C(=O)N=c2cc(-c3cc(F)cc(F)c3)[n-][nH]2)no1 ZINC000474277916 501772030 /nfs/dbraw/zinc/77/20/30/501772030.db2.gz RWOHNWKKTARQLW-UHFFFAOYSA-N -1 3 364.377 3.270 20 0 FGADHM CCCCCc1n[n-]c(=NC(=O)N(CCN(C)C)C2CCCC2)s1 ZINC000467433877 501793740 /nfs/dbraw/zinc/79/37/40/501793740.db2.gz SPVFMAVZRUQFFZ-UHFFFAOYSA-N -1 3 353.536 3.031 20 0 FGADHM COC(=O)C(C)(C)c1csc(NC(=O)Cc2ccc([O-])cc2Cl)n1 ZINC000485351378 501795485 /nfs/dbraw/zinc/79/54/85/501795485.db2.gz UYXUNFMYURWWGF-UHFFFAOYSA-N -1 3 368.842 3.134 20 0 FGADHM Cc1ccc([C@H](C[N-]S(=O)(=O)c2c(F)cccc2Cl)N(C)C)cc1 ZINC000463699222 501796786 /nfs/dbraw/zinc/79/67/86/501796786.db2.gz DUJKYCRFCISAJC-INIZCTEOSA-N -1 3 370.877 3.369 20 0 FGADHM CC(C)CCC[C@@H](C)NS(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000470771450 501797637 /nfs/dbraw/zinc/79/76/37/501797637.db2.gz FMXTWDUTMGVUKP-LLVKDONJSA-N -1 3 371.894 3.013 20 0 FGADHM CC(C)CCC[C@@H](C)NS(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000470771450 501797640 /nfs/dbraw/zinc/79/76/40/501797640.db2.gz FMXTWDUTMGVUKP-LLVKDONJSA-N -1 3 371.894 3.013 20 0 FGADHM O=S(=O)([N-][C@H]1CCN(c2ccc(Cl)cc2Cl)C1)c1ccco1 ZINC000474370403 501809572 /nfs/dbraw/zinc/80/95/72/501809572.db2.gz ANLZATNFYOWREN-NSHDSACASA-N -1 3 361.250 3.144 20 0 FGADHM Cc1cc([N-]S(=O)(=O)c2c(Cl)ccc3ccccc32)c(=O)n(C)c1 ZINC000481575677 501820271 /nfs/dbraw/zinc/82/02/71/501820271.db2.gz WVKMRLSLPSMQRX-UHFFFAOYSA-N -1 3 362.838 3.301 20 0 FGADHM CCOC1CC(CC[N-]S(=O)(=O)c2csc(-c3ccccc3)n2)C1 ZINC000474397014 501821257 /nfs/dbraw/zinc/82/12/57/501821257.db2.gz ZTDAZQHIGQVEEM-UHFFFAOYSA-N -1 3 366.508 3.294 20 0 FGADHM O=S(=O)([N-][C@@H]1CC[C@@H](c2ccccc2F)C1)c1cncc(Cl)c1 ZINC000481591387 501825127 /nfs/dbraw/zinc/82/51/27/501825127.db2.gz HKAPECYXJQKBST-DGCLKSJQSA-N -1 3 354.834 3.489 20 0 FGADHM O=C(Nc1ccccc1[O-])C1CCN(C(=O)c2cc[nH]c2C2CCC2)CC1 ZINC000485534665 501850197 /nfs/dbraw/zinc/85/01/97/501850197.db2.gz ZUPIKWIDBPSTGK-UHFFFAOYSA-N -1 3 367.449 3.479 20 0 FGADHM O=C(N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1)c1c[nH]nc1-c1ccccc1 ZINC000467715030 501852043 /nfs/dbraw/zinc/85/20/43/501852043.db2.gz KUXOLTNVUQBYNA-UHFFFAOYSA-N -1 3 365.343 3.419 20 0 FGADHM CC[C@@H](C)C[C@H](C)NC(=O)[C@@H]([N-]S(=O)(=O)c1ccccc1F)C(C)C ZINC000463915581 501852652 /nfs/dbraw/zinc/85/26/52/501852652.db2.gz LQIFMFJMBVZKRX-KEYYUXOJSA-N -1 3 372.506 3.070 20 0 FGADHM O=C(NCCc1ccccc1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000602736227 506278722 /nfs/dbraw/zinc/27/87/22/506278722.db2.gz NKAGBXOGZJGEKB-UHFFFAOYSA-N -1 3 371.234 3.263 20 0 FGADHM C[C@H]1CC[C@@H](CNC(=O)Cc2csc(NC(=O)c3cccc([O-])c3)n2)C1 ZINC000478131893 501888747 /nfs/dbraw/zinc/88/87/47/501888747.db2.gz IGOPEQNHLOHEHT-QWHCGFSZSA-N -1 3 373.478 3.196 20 0 FGADHM CCc1cc(C(=O)Nc2ccc(Sc3nncn3C)cc2)ccc1[O-] ZINC000485687112 501901699 /nfs/dbraw/zinc/90/16/99/501901699.db2.gz LTGCXTKURFYUFG-UHFFFAOYSA-N -1 3 354.435 3.487 20 0 FGADHM CCCCc1nc(C(=O)OCC)c(NC(=O)Cc2ccc(C)c(OC)c2)[n-]1 ZINC000485710138 501910341 /nfs/dbraw/zinc/91/03/41/501910341.db2.gz MBRYSFXHDMZCLY-UHFFFAOYSA-N -1 3 373.453 3.427 20 0 FGADHM CCCCc1nc(NC(=O)Cc2ccc(C)c(OC)c2)c(C(=O)OCC)[n-]1 ZINC000485710138 501910342 /nfs/dbraw/zinc/91/03/42/501910342.db2.gz MBRYSFXHDMZCLY-UHFFFAOYSA-N -1 3 373.453 3.427 20 0 FGADHM CCCOc1ccc(C(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000464185368 501916289 /nfs/dbraw/zinc/91/62/89/501916289.db2.gz HLCDUJJJJBQKFE-UHFFFAOYSA-N -1 3 373.883 3.352 20 0 FGADHM C[C@H](CC(=O)NCc1nc(C(F)(F)F)n[n-]1)C(=O)c1ccc(Cl)cc1 ZINC000481931032 501922598 /nfs/dbraw/zinc/92/25/98/501922598.db2.gz HURTUTKCXBRTGK-MRVPVSSYSA-N -1 3 374.750 3.002 20 0 FGADHM C[C@@H](CC(=O)NCc1nnc(C(F)(F)F)[n-]1)C(=O)c1ccc(Cl)cc1 ZINC000481931033 501922559 /nfs/dbraw/zinc/92/25/59/501922559.db2.gz HURTUTKCXBRTGK-QMMMGPOBSA-N -1 3 374.750 3.002 20 0 FGADHM C[C@@H](CC(=O)NCc1n[n-]c(C(F)(F)F)n1)C(=O)c1ccc(Cl)cc1 ZINC000481931033 501922562 /nfs/dbraw/zinc/92/25/62/501922562.db2.gz HURTUTKCXBRTGK-QMMMGPOBSA-N -1 3 374.750 3.002 20 0 FGADHM C[C@@H](CC(=O)NCc1nc(C(F)(F)F)n[n-]1)C(=O)c1ccc(Cl)cc1 ZINC000481931033 501922566 /nfs/dbraw/zinc/92/25/66/501922566.db2.gz HURTUTKCXBRTGK-QMMMGPOBSA-N -1 3 374.750 3.002 20 0 FGADHM C[C@H](CC(=O)NCc1nnc(C(F)(F)F)[n-]1)C(=O)c1ccc(Cl)cc1 ZINC000481931032 501922593 /nfs/dbraw/zinc/92/25/93/501922593.db2.gz HURTUTKCXBRTGK-MRVPVSSYSA-N -1 3 374.750 3.002 20 0 FGADHM C[C@H](CC(=O)NCc1n[n-]c(C(F)(F)F)n1)C(=O)c1ccc(Cl)cc1 ZINC000481931032 501922596 /nfs/dbraw/zinc/92/25/96/501922596.db2.gz HURTUTKCXBRTGK-MRVPVSSYSA-N -1 3 374.750 3.002 20 0 FGADHM O=C(NCc1ncccc1[O-])N[C@@H](c1cccc(F)c1F)C(F)(F)F ZINC000468008803 501928632 /nfs/dbraw/zinc/92/86/32/501928632.db2.gz FBEJUMAZBQDIMN-ZDUSSCGKSA-N -1 3 361.270 3.168 20 0 FGADHM O=C(Nc1ccc([O-])cc1F)[C@@H]1CCCN1c1ncnc2ccccc21 ZINC000478292377 501933861 /nfs/dbraw/zinc/93/38/61/501933861.db2.gz UHKLILDWCMVPGG-KRWDZBQOSA-N -1 3 352.369 3.082 20 0 FGADHM COc1ccc(CCC(=O)Nc2nnc(-c3c(F)cccc3F)[n-]2)cc1 ZINC000478304925 501937665 /nfs/dbraw/zinc/93/76/65/501937665.db2.gz ACKLNJKYBLEMIQ-UHFFFAOYSA-N -1 3 358.348 3.330 20 0 FGADHM COc1ccc(CCC(=O)Nc2nc(-c3c(F)cccc3F)n[n-]2)cc1 ZINC000478304925 501937669 /nfs/dbraw/zinc/93/76/69/501937669.db2.gz ACKLNJKYBLEMIQ-UHFFFAOYSA-N -1 3 358.348 3.330 20 0 FGADHM COc1ccc(CCC(=O)Nc2n[n-]c(-c3c(F)cccc3F)n2)cc1 ZINC000478304925 501937672 /nfs/dbraw/zinc/93/76/72/501937672.db2.gz ACKLNJKYBLEMIQ-UHFFFAOYSA-N -1 3 358.348 3.330 20 0 FGADHM Cc1ccc([C@@H]2CCCCN2C(=O)CNC(=O)c2cccc([O-])c2)cc1 ZINC000474737550 501937974 /nfs/dbraw/zinc/93/79/74/501937974.db2.gz JHMKFMPUMIYUKD-IBGZPJMESA-N -1 3 352.434 3.184 20 0 FGADHM O=C(NCc1ncccc1[O-])Nc1ccc(Oc2ccc(F)cc2)nc1 ZINC000471192046 501950270 /nfs/dbraw/zinc/95/02/70/501950270.db2.gz WFZCLNTZZLBJAA-UHFFFAOYSA-N -1 3 354.341 3.435 20 0 FGADHM CN(CCc1ccccc1)C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482055814 501959313 /nfs/dbraw/zinc/95/93/13/501959313.db2.gz ZOSODMWTTRFCAN-UHFFFAOYSA-N -1 3 373.254 3.225 20 0 FGADHM CCc1ncc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2OCc2ccccc2)s1 ZINC000460933854 501961907 /nfs/dbraw/zinc/96/19/07/501961907.db2.gz NVCCJTDTOORQIX-CABCVRRESA-N -1 3 366.508 3.122 20 0 FGADHM CCOCCOc1c(Cl)cccc1NC(=O)NCc1ncccc1[O-] ZINC000471255383 501968458 /nfs/dbraw/zinc/96/84/58/501968458.db2.gz UBFIKLUSLPNHPA-UHFFFAOYSA-N -1 3 365.817 3.178 20 0 FGADHM Cc1nc(C)c(CC(=O)N[C@@H](C)c2ccc(-c3cccnc3)cc2)c(=O)[n-]1 ZINC000474866010 501975358 /nfs/dbraw/zinc/97/53/58/501975358.db2.gz BNFSTXMDGAOOSF-ZDUSSCGKSA-N -1 3 362.433 3.281 20 0 FGADHM Cc1ccc(F)c(C(=O)[N-]c2nc3ccc(F)cn3n2)c1Br ZINC000485917629 501987005 /nfs/dbraw/zinc/98/70/05/501987005.db2.gz VCBDBFXSBWVJKO-UHFFFAOYSA-N -1 3 367.153 3.331 20 0 FGADHM CC[C@H](C)[C@H](C)NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000602753806 506286407 /nfs/dbraw/zinc/28/64/07/506286407.db2.gz BAEUNMMAUQMNIZ-UWVGGRQHSA-N -1 3 351.244 3.455 20 0 FGADHM C[C@@H](NC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)c1ccccc1Cl ZINC000485945416 501996011 /nfs/dbraw/zinc/99/60/11/501996011.db2.gz YWDPOCKNYMWLTE-SNVBAGLBSA-N -1 3 370.833 3.342 20 0 FGADHM CO[C@H](CNC(=O)c1c[n-]c2ccccc2c1=O)c1ccc(Cl)cc1 ZINC000461039360 501996828 /nfs/dbraw/zinc/99/68/28/501996828.db2.gz ZEARFWQGHQAKOT-QGZVFWFLSA-N -1 3 356.809 3.299 20 0 FGADHM O=C(CCc1cccc(C(F)(F)F)c1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000464473135 501998772 /nfs/dbraw/zinc/99/87/72/501998772.db2.gz SHIIHVXVLQOUAJ-UHFFFAOYSA-N -1 3 361.327 3.457 20 0 FGADHM O=C(CCc1cccc(C(F)(F)F)c1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000464473135 501998778 /nfs/dbraw/zinc/99/87/78/501998778.db2.gz SHIIHVXVLQOUAJ-UHFFFAOYSA-N -1 3 361.327 3.457 20 0 FGADHM CCC[C@@H]1CCc2nc(NC(=O)CNC(=O)c3cccc([O-])c3)sc2C1 ZINC000471372909 502002795 /nfs/dbraw/zinc/00/27/95/502002795.db2.gz JJMVZXSIYUFDTE-GFCCVEGCSA-N -1 3 373.478 3.122 20 0 FGADHM C[C@H](c1cccnc1)N(C)C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482199055 502005196 /nfs/dbraw/zinc/00/51/96/502005196.db2.gz JKIRRCXCFPNAKV-LLVKDONJSA-N -1 3 374.242 3.139 20 0 FGADHM Cc1cccc(-c2cccc(CNC(=O)CNC(=O)c3cccc([O-])c3)c2)c1 ZINC000471382785 502006365 /nfs/dbraw/zinc/00/63/65/502006365.db2.gz IEIBLNHNZGKVSZ-UHFFFAOYSA-N -1 3 374.440 3.414 20 0 FGADHM O=C(CNC(=O)c1cccc([O-])c1)N1CCC[C@@H]1Cc1ccccc1Cl ZINC000471383181 502006374 /nfs/dbraw/zinc/00/63/74/502006374.db2.gz BTSGJMCUXIDHFC-MRXNPFEDSA-N -1 3 372.852 3.009 20 0 FGADHM CCCn1c(=O)[n-]nc1SCc1ccn(-c2ccc(F)cc2F)n1 ZINC000485999779 502014265 /nfs/dbraw/zinc/01/42/65/502014265.db2.gz CLVCRPPTGJYAAT-UHFFFAOYSA-N -1 3 351.382 3.150 20 0 FGADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)c1cc(-c2cccc(Cl)c2)no1 ZINC000482244593 502018710 /nfs/dbraw/zinc/01/87/10/502018710.db2.gz OXPDOKPCVAUTCO-UHFFFAOYSA-N -1 3 371.706 3.062 20 0 FGADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)c1cc(-c2cccc(Cl)c2)no1 ZINC000482244593 502018713 /nfs/dbraw/zinc/01/87/13/502018713.db2.gz OXPDOKPCVAUTCO-UHFFFAOYSA-N -1 3 371.706 3.062 20 0 FGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1cc(-c2cccc(Cl)c2)no1 ZINC000482244593 502018715 /nfs/dbraw/zinc/01/87/15/502018715.db2.gz OXPDOKPCVAUTCO-UHFFFAOYSA-N -1 3 371.706 3.062 20 0 FGADHM COCCOc1ccccc1S(=O)(=O)[N-]c1c(C)cccc1Cl ZINC000461126895 502021112 /nfs/dbraw/zinc/02/11/12/502021112.db2.gz FTGXIWUBHGUWQH-UHFFFAOYSA-N -1 3 355.843 3.474 20 0 FGADHM Cn1cnnc1-c1cccc(NC(=O)CCCc2ccc([O-])c(F)c2)c1 ZINC000468323493 502024632 /nfs/dbraw/zinc/02/46/32/502024632.db2.gz MMVCRCLNGPISAI-UHFFFAOYSA-N -1 3 354.385 3.288 20 0 FGADHM CCOCCC1(C[N-]S(=O)(=O)c2cc(Cl)ccc2OC)CCC1 ZINC000486095964 502045486 /nfs/dbraw/zinc/04/54/86/502045486.db2.gz PIMSTEUFUIPTSM-UHFFFAOYSA-N -1 3 361.891 3.224 20 0 FGADHM C[C@@H](Oc1cccc(F)c1)C(=O)N=c1nc(-c2ccccc2Cl)[n-]n1C ZINC000461234306 502046697 /nfs/dbraw/zinc/04/66/97/502046697.db2.gz CBDGGCGOVLXWMT-LLVKDONJSA-N -1 3 374.803 3.103 20 0 FGADHM CCOc1cccc(C(=O)N=c2nc(-c3ccccc3Cl)[n-]n2C)c1 ZINC000461233943 502046782 /nfs/dbraw/zinc/04/67/82/502046782.db2.gz IPKCPWIVHGECBV-UHFFFAOYSA-N -1 3 356.813 3.208 20 0 FGADHM COC(=O)c1ccc(Cl)c(C=Cc2cc(=O)[n-]c(-c3ccncc3)n2)c1 ZINC000486103066 502047481 /nfs/dbraw/zinc/04/74/81/502047481.db2.gz LPARWMPWPNWVCW-RQOWECAXSA-N -1 3 367.792 3.442 20 0 FGADHM Cn1[n-]c(-c2ccccc2Cl)nc1=NC(=O)c1ccc2ccccc2n1 ZINC000461237780 502048146 /nfs/dbraw/zinc/04/81/46/502048146.db2.gz 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502429779 /nfs/dbraw/zinc/42/97/79/502429779.db2.gz BXAOAAQGLZYJHE-CQSZACIVSA-N -1 3 357.353 3.296 20 0 FGADHM CCOC(=O)[C@H]([N-]S(=O)(=O)CC1CCCC1)c1cccc(C)c1C ZINC000472757586 502432971 /nfs/dbraw/zinc/43/29/71/502432971.db2.gz XGMXJQABZGMWNN-QGZVFWFLSA-N -1 3 353.484 3.017 20 0 FGADHM C[C@H](c1cccc(Cl)c1)N(C)C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000483564334 502433303 /nfs/dbraw/zinc/43/33/03/502433303.db2.gz RYBNNDMLPQBFOX-MRVPVSSYSA-N -1 3 361.755 3.380 20 0 FGADHM C[C@H](c1cccc(Cl)c1)N(C)C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000483564334 502433304 /nfs/dbraw/zinc/43/33/04/502433304.db2.gz RYBNNDMLPQBFOX-MRVPVSSYSA-N -1 3 361.755 3.380 20 0 FGADHM C[C@H](c1cccc(Cl)c1)N(C)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000483564334 502433310 /nfs/dbraw/zinc/43/33/10/502433310.db2.gz RYBNNDMLPQBFOX-MRVPVSSYSA-N -1 3 361.755 3.380 20 0 FGADHM CC(C)[C@@H]1CCC[C@@H](NC(=O)c2ccc([N-]S(C)(=O)=O)cc2)CC1 ZINC000469501254 502442441 /nfs/dbraw/zinc/44/24/41/502442441.db2.gz ICOIFJJDSAJFIU-GDBMZVCRSA-N -1 3 352.500 3.393 20 0 FGADHM CCOC(=O)c1ccc(NC(=O)[C@H]2CCCc3c(O)cccc32)c([O-])c1 ZINC000476314984 502454172 /nfs/dbraw/zinc/45/41/72/502454172.db2.gz OOBMLHPEASFFPO-HNNXBMFYSA-N -1 3 355.390 3.333 20 0 FGADHM COCC[C@@H]([N-]S(=O)(=O)c1cc(OC)ccc1Cl)c1ccc(C)o1 ZINC000480042556 502455953 /nfs/dbraw/zinc/45/59/53/502455953.db2.gz GTPARGGAUWTFQC-CQSZACIVSA-N -1 3 373.858 3.306 20 0 FGADHM COc1ccc(S(=O)(=O)[N-][C@H](C)c2ccccn2)c(Cl)c1Cl ZINC000462480880 502457253 /nfs/dbraw/zinc/45/72/53/502457253.db2.gz OXYKEABIHBVERJ-SECBINFHSA-N -1 3 361.250 3.437 20 0 FGADHM CCOc1nc2ccc(C(=O)Nc3cc(OC)ccc3NC(C)=O)cc2[n-]1 ZINC000469566174 502465124 /nfs/dbraw/zinc/46/51/24/502465124.db2.gz AEHAXFMVCPYXPW-UHFFFAOYSA-N -1 3 368.393 3.181 20 0 FGADHM CCOc1nc2cc(C(=O)Nc3cc(OC)ccc3NC(C)=O)ccc2[n-]1 ZINC000469566174 502465127 /nfs/dbraw/zinc/46/51/27/502465127.db2.gz AEHAXFMVCPYXPW-UHFFFAOYSA-N -1 3 368.393 3.181 20 0 FGADHM O=c1cc(CS(=O)(=O)c2ccccc2C(F)(F)F)nc(C2CC2)[n-]1 ZINC000582592783 506315178 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COc1ccc(S(=O)(=O)[N-]c2ccccc2Br)c(F)c1 ZINC000480210547 502503410 /nfs/dbraw/zinc/50/34/10/502503410.db2.gz SJHOVRMJXNTIIJ-UHFFFAOYSA-N -1 3 360.204 3.398 20 0 FGADHM CO[C@@H](c1ccccc1F)[C@H](C)[N-]S(=O)(=O)c1c(C)cccc1F ZINC000476501363 502506254 /nfs/dbraw/zinc/50/62/54/502506254.db2.gz YAOIAIDRLYMWNE-BLLLJJGKSA-N -1 3 355.406 3.328 20 0 FGADHM CC(C)(C[N-]S(=O)(=O)c1cncc(F)c1)c1c(F)cccc1Cl ZINC000462632444 502514165 /nfs/dbraw/zinc/51/41/65/502514165.db2.gz RHQLWGWPSKHOFO-UHFFFAOYSA-N -1 3 360.813 3.269 20 0 FGADHM C[C@H]1CCN(C(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)C1 ZINC000469718982 502515489 /nfs/dbraw/zinc/51/54/89/502515489.db2.gz WZINGEMWEJZSAE-QMMMGPOBSA-N -1 3 369.646 3.426 20 0 FGADHM C[C@H]1CCN(C(=O)c2cnc3c(Cl)cc(Br)cc3c2[O-])C1 ZINC000469718982 502515493 /nfs/dbraw/zinc/51/54/93/502515493.db2.gz WZINGEMWEJZSAE-QMMMGPOBSA-N -1 3 369.646 3.426 20 0 FGADHM Cn1cc([C@@H]([N-]C(=O)c2cc(F)c(F)cc2Cl)C(F)(F)F)cn1 ZINC000487748376 502520942 /nfs/dbraw/zinc/52/09/42/502520942.db2.gz LDKMYZLUOWVIMU-LLVKDONJSA-N -1 3 353.678 3.385 20 0 FGADHM C[C@@H](C[N-]S(=O)(=O)c1ccccc1OC(F)(F)F)C(F)(F)F ZINC000476581713 502534152 /nfs/dbraw/zinc/53/41/52/502534152.db2.gz ZPYGPWKKWNFMND-ZETCQYMHSA-N -1 3 351.268 3.062 20 0 FGADHM CCC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)OC(C)(C)C ZINC000462689571 502534395 /nfs/dbraw/zinc/53/43/95/502534395.db2.gz YPRMTMIIYIUDHJ-SECBINFHSA-N -1 3 353.893 3.190 20 0 FGADHM C[C@H](C[N-]S(=O)(=O)c1cc(F)ccc1Cl)Oc1ccc(F)cc1 ZINC000462704022 502541330 /nfs/dbraw/zinc/54/13/30/502541330.db2.gz LRWDNDUCYHWAON-SNVBAGLBSA-N -1 3 361.797 3.364 20 0 FGADHM C[C@@H](C[N-]S(=O)(=O)c1ccc(F)cc1F)Oc1ccccc1Cl ZINC000462716975 502547347 /nfs/dbraw/zinc/54/73/47/502547347.db2.gz GJWFONNDHABHAO-JTQLQIEISA-N -1 3 361.797 3.364 20 0 FGADHM COc1cccc(O[C@H](C)C[N-]S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000462725004 502550754 /nfs/dbraw/zinc/55/07/54/502550754.db2.gz YTOOSLICPARPPZ-SNVBAGLBSA-N -1 3 361.872 3.156 20 0 FGADHM O=C([N-]c1n[nH]c(-c2ccccc2Cl)n1)c1n[nH]nc1-c1ccccc1 ZINC000473343245 502568657 /nfs/dbraw/zinc/56/86/57/502568657.db2.gz IWCQONBQHVSPJJ-UHFFFAOYSA-N -1 3 365.784 3.163 20 0 FGADHM CCCN(C[C@H]1CCCCO1)C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000484139159 502580231 /nfs/dbraw/zinc/58/02/31/502580231.db2.gz XNXMRBSGAKHLHR-CYBMUJFWSA-N -1 3 364.392 3.228 20 0 FGADHM CC(C)CC[C@H]1CCCCN1C(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000473402292 502585624 /nfs/dbraw/zinc/58/56/24/502585624.db2.gz QRUQMGOGLVUNTI-LSDHHAIUSA-N -1 3 372.556 3.232 20 0 FGADHM COCCC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(C)ccc1F ZINC000480599688 502616925 /nfs/dbraw/zinc/61/69/25/502616925.db2.gz CIOLGVHTDGJMDK-QGZVFWFLSA-N -1 3 365.470 3.450 20 0 FGADHM COc1cc(C(=O)N[C@@H](C)COc2c(C)cccc2C)cc(OC)c1[O-] ZINC000484311255 502621820 /nfs/dbraw/zinc/62/18/20/502621820.db2.gz USUFFQCDWUBEOI-AWEZNQCLSA-N -1 3 359.422 3.224 20 0 FGADHM COc1ccc(S(=O)(=O)[N-][C@H](C)c2cn(C(C)(C)C)nc2C)c(F)c1 ZINC000480682902 502641925 /nfs/dbraw/zinc/64/19/25/502641925.db2.gz PQZVVEUVNBNYRU-GFCCVEGCSA-N -1 3 369.462 3.134 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccc(Br)c(F)c2)o1 ZINC000480733440 502655674 /nfs/dbraw/zinc/65/56/74/502655674.db2.gz UGGDMCQUPUDQDO-GXFFZTMASA-N -1 3 374.231 3.324 20 0 FGADHM COC(=O)[C@@H](Cc1ccc(C)cc1)SCC(=O)Nc1ccccc1[O-] ZINC000477039702 502655915 /nfs/dbraw/zinc/65/59/15/502655915.db2.gz KWOXAFNOISJBFF-QGZVFWFLSA-N -1 3 359.447 3.157 20 0 FGADHM C[C@@H](Oc1ccccc1Cc1ccccc1)C(=O)NCc1ncccc1[O-] ZINC000473634950 502661610 /nfs/dbraw/zinc/66/16/10/502661610.db2.gz BRGJRZBJLCMWFH-MRXNPFEDSA-N -1 3 362.429 3.462 20 0 FGADHM Cc1nc(-c2ccc(C)cc2)c(CC(=O)NCc2ncccc2[O-])s1 ZINC000473637085 502662154 /nfs/dbraw/zinc/66/21/54/502662154.db2.gz AMKUCRWORJGIAO-UHFFFAOYSA-N -1 3 353.447 3.386 20 0 FGADHM COc1cc(-n2cccc2)c(Cl)cc1C(=O)NCc1ncccc1[O-] ZINC000473636503 502662440 /nfs/dbraw/zinc/66/24/40/502662440.db2.gz QOIYLJBNCRLFIP-UHFFFAOYSA-N -1 3 357.797 3.170 20 0 FGADHM COCCCCc1cccnc1NC(=O)c1c[n-]c2ccc(C)cc2c1=O ZINC000463022937 502663601 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Cc1ccccc1O[C@H]1CCCC[C@@H]1NC(=O)c1cccc2[n-]nnc21 ZINC000527111572 503683540 /nfs/dbraw/zinc/68/35/40/503683540.db2.gz BIXWRFZTZJZWTK-YJBOKZPZSA-N -1 3 350.422 3.386 20 0 FGADHM Cc1ccccc1O[C@H]1CCCC[C@@H]1NC(=O)c1cccc2n[n-]nc21 ZINC000527111572 503683543 /nfs/dbraw/zinc/68/35/43/503683543.db2.gz BIXWRFZTZJZWTK-YJBOKZPZSA-N -1 3 350.422 3.386 20 0 FGADHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1C[C@@H](C)CC(C)(C)C1 ZINC000543214899 503683639 /nfs/dbraw/zinc/68/36/39/503683639.db2.gz NZQAAUYDHGBCQX-NSHDSACASA-N -1 3 366.483 3.066 20 0 FGADHM O=c1nc(Cc2noc(CC[C@@H]3CCOC3)n2)[n-]c2scc(C3CC3)c21 ZINC000546276620 503695992 /nfs/dbraw/zinc/69/59/92/503695992.db2.gz LFNAHWOGAITQOD-SNVBAGLBSA-N -1 3 372.450 3.217 20 0 FGADHM CC(C)c1nnc([N-]C(=O)c2cnn(-c3ccncc3)c2C(F)F)s1 ZINC000517272089 503702084 /nfs/dbraw/zinc/70/20/84/503702084.db2.gz MNHAMBTYUDWISB-UHFFFAOYSA-N -1 3 364.381 3.432 20 0 FGADHM COC(=O)COc1cccc(CNC(=O)c2cc([O-])c3ccccc3c2)c1 ZINC000527163924 503703072 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504354244 /nfs/dbraw/zinc/35/42/44/504354244.db2.gz NOIHFTGVDFCQTP-SNVBAGLBSA-N -1 3 356.348 3.094 20 0 FGADHM COc1cc(=NC(=O)N2CCC[C@H]2c2cccc3ccccc32)[n-]n1C ZINC000548167479 504355717 /nfs/dbraw/zinc/35/57/17/504355717.db2.gz DSBKXOUBTDSKHA-KRWDZBQOSA-N -1 3 350.422 3.373 20 0 FGADHM COc1cc(=NC(=O)N(C)[C@H](C)c2cccc(C(F)(F)F)c2)[n-]n1C ZINC000548167409 504356035 /nfs/dbraw/zinc/35/60/35/504356035.db2.gz JETCYEOVBHYRRT-SNVBAGLBSA-N -1 3 356.348 3.094 20 0 FGADHM COc1cc(C)cc(C(=O)Nc2ccc(Br)cc2[O-])c1O ZINC000538756611 504359961 /nfs/dbraw/zinc/35/99/61/504359961.db2.gz OJFZPFZTLJBSJY-UHFFFAOYSA-N -1 3 352.184 3.430 20 0 FGADHM FC(F)COc1ccnc(-c2noc(-c3cc(-c4ccco4)n[n-]3)n2)c1 ZINC000545133732 504368726 /nfs/dbraw/zinc/36/87/26/504368726.db2.gz ALHOJXSQIKFNAM-UHFFFAOYSA-N -1 3 359.292 3.426 20 0 FGADHM FC(F)COc1ccnc(-c2noc(-c3cc(-c4ccco4)[n-]n3)n2)c1 ZINC000545133732 504368730 /nfs/dbraw/zinc/36/87/30/504368730.db2.gz ALHOJXSQIKFNAM-UHFFFAOYSA-N -1 3 359.292 3.426 20 0 FGADHM 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O=S(=O)([N-][C@H]1CC12CCOCC2)c1c(Cl)ccc2ccccc21 ZINC000562551098 504856296 /nfs/dbraw/zinc/85/62/96/504856296.db2.gz BQJRISJQENXFOA-HNNXBMFYSA-N -1 3 351.855 3.341 20 0 FGADHM CCOc1nc2cc(C(=O)NCC3(c4ccccn4)CCC3)ccc2[n-]1 ZINC000553234069 504858763 /nfs/dbraw/zinc/85/87/63/504858763.db2.gz UYUSTUUNBFYWRI-UHFFFAOYSA-N -1 3 350.422 3.208 20 0 FGADHM CCOc1nc2ccc(C(=O)NCC3(c4ccccn4)CCC3)cc2[n-]1 ZINC000553234069 504858768 /nfs/dbraw/zinc/85/87/68/504858768.db2.gz UYUSTUUNBFYWRI-UHFFFAOYSA-N -1 3 350.422 3.208 20 0 FGADHM CN1CC[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2F)[C@H]1c1ccccc1 ZINC000556399319 504863729 /nfs/dbraw/zinc/86/37/29/504863729.db2.gz OPFAIQPBACEXBH-NVXWUHKLSA-N -1 3 368.861 3.203 20 0 FGADHM COC(=O)[C@H](C)Cc1ccc(NC(=O)c2cc(C(F)(F)F)n[n-]2)cc1 ZINC000549808333 504903793 /nfs/dbraw/zinc/90/37/93/504903793.db2.gz XUEUZTKNKBLMGN-SECBINFHSA-N -1 3 355.316 3.032 20 0 FGADHM COC(=O)[C@H](C)Cc1ccc(NC(=O)c2cc(C(F)(F)F)[n-]n2)cc1 ZINC000549808333 504903795 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/nfs/dbraw/zinc/98/57/83/504985783.db2.gz OLCCZYIQVNIUDE-KRWDZBQOSA-N -1 3 360.841 3.281 20 0 FGADHM COc1cc(F)c([N-]S(=O)(=O)[C@@H]2C[C@H]2c2ccccc2)cc1OC ZINC000556881991 505004699 /nfs/dbraw/zinc/00/46/99/505004699.db2.gz YUSYJSRZVLHWKU-YVEFUNNKSA-N -1 3 351.399 3.141 20 0 FGADHM O=C(NCC1CCN(CC(F)F)CC1)c1cc([O-])ccc1C(F)(F)F ZINC000556941745 505025305 /nfs/dbraw/zinc/02/53/05/505025305.db2.gz GHGLAUQHZFMMDU-UHFFFAOYSA-N -1 3 366.330 3.118 20 0 FGADHM O=C(CCCCN1C(=O)c2ccccc2C1=O)Nc1ccc(Cl)cc1[O-] ZINC000556951040 505028839 /nfs/dbraw/zinc/02/88/39/505028839.db2.gz DKZZKBBCUOEOBJ-UHFFFAOYSA-N -1 3 372.808 3.451 20 0 FGADHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)c2nccn21 ZINC000560316131 505043894 /nfs/dbraw/zinc/04/38/94/505043894.db2.gz ZMYKKIGHABJSHL-RDDDGLTNSA-N -1 3 364.229 3.313 20 0 FGADHM O=S(=O)([N-]C1CCc2ccccc2CC1)c1cnccc1C(F)(F)F ZINC000560315773 505043924 /nfs/dbraw/zinc/04/39/24/505043924.db2.gz IXTUHJBYFYJMLO-UHFFFAOYSA-N -1 3 370.396 3.326 20 0 FGADHM C[C@H](NC(=O)Cc1ccc([O-])cc1Cl)[C@@H]1OCCc2sccc21 ZINC000557072168 505059196 /nfs/dbraw/zinc/05/91/96/505059196.db2.gz CXCVSVCVXYAYJI-BTDLBPIBSA-N -1 3 351.855 3.468 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)NC[C@H]3CC34CCSCC4)c[n-]c12 ZINC000566082500 505075075 /nfs/dbraw/zinc/07/50/75/505075075.db2.gz WCIIWUAXHHPUHS-GFCCVEGCSA-N -1 3 360.454 3.239 20 0 FGADHM O=C([O-])C1CCN(C(=O)CN2CCC[C@@H]2c2cccc3ccccc32)CC1 ZINC000563279078 505094264 /nfs/dbraw/zinc/09/42/64/505094264.db2.gz WRLRLDILERFKOU-HXUWFJFHSA-N -1 3 366.461 3.300 20 0 FGADHM O=C([O-])[C@]1(c2ccccc2)CCN(Cc2nccn2Cc2ccccc2)C1 ZINC000563289849 505097496 /nfs/dbraw/zinc/09/74/96/505097496.db2.gz XYIRIBBKDJHCKI-JOCHJYFZSA-N -1 3 361.445 3.160 20 0 FGADHM COC(=O)C1([N-]S(=O)(=O)Cc2cccc(Cl)c2)CCCCCC1 ZINC000550827874 505110100 /nfs/dbraw/zinc/11/01/00/505110100.db2.gz YRBYPTOEPXDKEP-UHFFFAOYSA-N -1 3 359.875 3.025 20 0 FGADHM CC(C)c1cc(C(=O)N=c2[nH][n-]cc2Br)nn1-c1ccccc1 ZINC000560549275 505122622 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CC1(C)Cc2ccc(C(=O)N3CCC=C(c4ccncc4)C3)c([O-])c2O1 ZINC000560606407 505141690 /nfs/dbraw/zinc/14/16/90/505141690.db2.gz QDYHAPHNQCOIMX-UHFFFAOYSA-N -1 3 350.418 3.430 20 0 FGADHM O=C(Nc1ccc(F)c(N2C(=O)CCC2=O)c1)c1cc([O-])ccc1Cl ZINC000560611583 505143308 /nfs/dbraw/zinc/14/33/08/505143308.db2.gz TWBORNFLNWLVFH-UHFFFAOYSA-N -1 3 362.744 3.090 20 0 FGADHM COc1cccc([C@@H](CN=c2[n-]nc(C(F)(F)F)s2)N2CCCC2)c1 ZINC000566326485 505144755 /nfs/dbraw/zinc/14/47/55/505144755.db2.gz SOTCLNBDWKPEPI-CYBMUJFWSA-N -1 3 372.416 3.236 20 0 FGADHM Cc1c(-c2cc(CN(Cc3ccccc3)C[C@@H](C)C(=O)[O-])on2)cnn1C ZINC000566361623 505152735 /nfs/dbraw/zinc/15/27/35/505152735.db2.gz LOPDTHMKFLTNGJ-CQSZACIVSA-N -1 3 368.437 3.106 20 0 FGADHM CCn1c(CN(C)[C@H](Cc2ccccc2)C(=O)[O-])nc2c1cccc2F ZINC000566363235 505153713 /nfs/dbraw/zinc/15/37/13/505153713.db2.gz YTXANEVIATVWDU-QGZVFWFLSA-N -1 3 355.413 3.323 20 0 FGADHM Cc1c2ccccc2nc(CN2CCOC[C@@H](C3CCC3)C2)c1C(=O)[O-] ZINC000566362061 505153877 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C[C@@H](Cc1cccs1)Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000736065351 599042864 /nfs/dbraw/zinc/04/28/64/599042864.db2.gz CUDISWWADDABBU-QMMMGPOBSA-N -1 3 354.361 3.385 20 0 FGADHM C[C@@H](Cc1cccs1)Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000736065351 599042867 /nfs/dbraw/zinc/04/28/67/599042867.db2.gz CUDISWWADDABBU-QMMMGPOBSA-N -1 3 354.361 3.385 20 0 FGADHM Fc1ccc(CCNc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)c(F)c1 ZINC000737650521 599057679 /nfs/dbraw/zinc/05/76/79/599057679.db2.gz PLHRVHKUFPTXDM-UHFFFAOYSA-N -1 3 370.285 3.213 20 0 FGADHM Fc1ccc(CCNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)c(F)c1 ZINC000737650521 599057682 /nfs/dbraw/zinc/05/76/82/599057682.db2.gz PLHRVHKUFPTXDM-UHFFFAOYSA-N -1 3 370.285 3.213 20 0 FGADHM Cc1ccnc(-c2cccc(Nc3ncc(-c4nnn[n-]4)cc3Cl)c2)n1 ZINC000737435808 599061822 /nfs/dbraw/zinc/06/18/22/599061822.db2.gz CZXWIDDXEDVUCF-UHFFFAOYSA-N -1 3 364.800 3.424 20 0 FGADHM Cc1ccnc(-c2cccc(Nc3ncc(-c4nn[n-]n4)cc3Cl)c2)n1 ZINC000737435808 599061825 /nfs/dbraw/zinc/06/18/25/599061825.db2.gz CZXWIDDXEDVUCF-UHFFFAOYSA-N -1 3 364.800 3.424 20 0 FGADHM CS[C@@H]1CC[C@H](Nc2c(-c3nnn[n-]3)cnc3c(C)cc(C)cc32)C1 ZINC000821950328 599073076 /nfs/dbraw/zinc/07/30/76/599073076.db2.gz MNIBQKADMJCBQC-QWHCGFSZSA-N -1 3 354.483 3.150 20 0 FGADHM CS[C@@H]1CC[C@H](Nc2c(-c3nn[n-]n3)cnc3c(C)cc(C)cc32)C1 ZINC000821950328 599073078 /nfs/dbraw/zinc/07/30/78/599073078.db2.gz MNIBQKADMJCBQC-QWHCGFSZSA-N -1 3 354.483 3.150 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000738161542 599076357 /nfs/dbraw/zinc/07/63/57/599076357.db2.gz FIHXVYKBNSSGHR-ZYHUDNBSSA-N -1 3 359.311 3.026 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000738161542 599076360 /nfs/dbraw/zinc/07/63/60/599076360.db2.gz FIHXVYKBNSSGHR-ZYHUDNBSSA-N -1 3 359.311 3.026 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000738161498 599076390 /nfs/dbraw/zinc/07/63/90/599076390.db2.gz FAEWWDGHSYIFPC-GHMZBOCLSA-N -1 3 359.311 3.026 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000738161498 599076394 /nfs/dbraw/zinc/07/63/94/599076394.db2.gz FAEWWDGHSYIFPC-GHMZBOCLSA-N -1 3 359.311 3.026 20 0 FGADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)Nc1ccc(CC(F)(F)F)cc1 ZINC000737963046 599083488 /nfs/dbraw/zinc/08/34/88/599083488.db2.gz QVTIOENRMFUALC-UHFFFAOYSA-N -1 3 361.327 3.153 20 0 FGADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)Nc1ccc(CC(F)(F)F)cc1 ZINC000737963046 599083490 /nfs/dbraw/zinc/08/34/90/599083490.db2.gz QVTIOENRMFUALC-UHFFFAOYSA-N -1 3 361.327 3.153 20 0 FGADHM CC[C@](C)(NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1nc(C)cs1 ZINC000736313750 599088876 /nfs/dbraw/zinc/08/88/76/599088876.db2.gz JLJYWACRFCJHNO-BBVFFXRHSA-N -1 3 368.466 3.086 20 0 FGADHM CC[C@](C)(NC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1nc(C)cs1 ZINC000736313750 599088879 /nfs/dbraw/zinc/08/88/79/599088879.db2.gz JLJYWACRFCJHNO-BBVFFXRHSA-N -1 3 368.466 3.086 20 0 FGADHM CCS[C@@H]1CC[C@@H](N(C)c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)C1 ZINC000821448857 599098172 /nfs/dbraw/zinc/09/81/72/599098172.db2.gz OTRHQBUGBQMIME-NXEZZACHSA-N -1 3 372.420 3.391 20 0 FGADHM CCS[C@@H]1CC[C@@H](N(C)c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)C1 ZINC000821448857 599098175 /nfs/dbraw/zinc/09/81/75/599098175.db2.gz OTRHQBUGBQMIME-NXEZZACHSA-N -1 3 372.420 3.391 20 0 FGADHM C[C@@H](Sc1ccccc1-c1nnn[n-]1)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000736193685 599108253 /nfs/dbraw/zinc/10/82/53/599108253.db2.gz RREAUVSHPAHXDS-NWDGAFQWSA-N -1 3 371.441 3.364 20 0 FGADHM C[C@@H](Sc1ccccc1-c1nn[n-]n1)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000736193685 599108255 /nfs/dbraw/zinc/10/82/55/599108255.db2.gz RREAUVSHPAHXDS-NWDGAFQWSA-N -1 3 371.441 3.364 20 0 FGADHM CCO[C@@H]1C[C@@H](Nc2cc(-c3nnn[n-]3)c3ccccc3n2)C12CCC2 ZINC000736612473 599119946 /nfs/dbraw/zinc/11/99/46/599119946.db2.gz PBTURKYKQARMQX-HZPDHXFCSA-N -1 3 350.426 3.175 20 0 FGADHM CCO[C@@H]1C[C@@H](Nc2cc(-c3nn[n-]n3)c3ccccc3n2)C12CCC2 ZINC000736612473 599119949 /nfs/dbraw/zinc/11/99/49/599119949.db2.gz PBTURKYKQARMQX-HZPDHXFCSA-N -1 3 350.426 3.175 20 0 FGADHM O=S(=O)(Cc1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)c(Cl)c1 ZINC000823566509 599122312 /nfs/dbraw/zinc/12/23/12/599122312.db2.gz IKEMLZPJYRSXAK-UHFFFAOYSA-N -1 3 369.233 3.147 20 0 FGADHM O=S(=O)(Cc1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)c(Cl)c1 ZINC000823566509 599122315 /nfs/dbraw/zinc/12/23/15/599122315.db2.gz IKEMLZPJYRSXAK-UHFFFAOYSA-N -1 3 369.233 3.147 20 0 FGADHM COC[C@H](C)Sc1nc2c(c(-c3ccco3)c1-c1nnn[n-]1)CCC2 ZINC000821682307 599123362 /nfs/dbraw/zinc/12/33/62/599123362.db2.gz AYMJILFFWYEREN-JTQLQIEISA-N -1 3 357.439 3.137 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@@H](C)CCc1cccc(F)c1 ZINC000821699501 599134919 /nfs/dbraw/zinc/13/49/19/599134919.db2.gz SMTBOIYSVWICRA-LBPRGKRZSA-N -1 3 370.384 3.189 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@@H](C)CCc1cccc(F)c1 ZINC000821699501 599134921 /nfs/dbraw/zinc/13/49/21/599134921.db2.gz SMTBOIYSVWICRA-LBPRGKRZSA-N -1 3 370.384 3.189 20 0 FGADHM O=C(C[C@H]1CCc2ccccc21)OCc1ccc(-c2nnn[n-]2)cc1F ZINC000737821898 599146148 /nfs/dbraw/zinc/14/61/48/599146148.db2.gz WWQLLOZJOMVYDT-CYBMUJFWSA-N -1 3 352.369 3.169 20 0 FGADHM O=C(C[C@H]1CCc2ccccc21)OCc1ccc(-c2nn[n-]n2)cc1F ZINC000737821898 599146149 /nfs/dbraw/zinc/14/61/49/599146149.db2.gz WWQLLOZJOMVYDT-CYBMUJFWSA-N -1 3 352.369 3.169 20 0 FGADHM CC(C)[C@H](C(=O)NCc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000820015822 599152259 /nfs/dbraw/zinc/15/22/59/599152259.db2.gz GPPQYYDLDHCAFF-KRWDZBQOSA-N -1 3 353.401 3.062 20 0 FGADHM CC(C)[C@H](C(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000820015822 599152260 /nfs/dbraw/zinc/15/22/60/599152260.db2.gz GPPQYYDLDHCAFF-KRWDZBQOSA-N -1 3 353.401 3.062 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=S)NC(C1CC1)C1CC1 ZINC000736481597 599157702 /nfs/dbraw/zinc/15/77/02/599157702.db2.gz RIOXKXGBMPRZAS-UHFFFAOYSA-N -1 3 370.526 3.142 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=S)NC(C1CC1)C1CC1 ZINC000736481597 599157703 /nfs/dbraw/zinc/15/77/03/599157703.db2.gz RIOXKXGBMPRZAS-UHFFFAOYSA-N -1 3 370.526 3.142 20 0 FGADHM Fc1ccccc1SCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000737669848 599158566 /nfs/dbraw/zinc/15/85/66/599158566.db2.gz QAAIHJGIPNZAGN-UHFFFAOYSA-N -1 3 354.370 3.348 20 0 FGADHM Fc1ccccc1SCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000737669848 599158569 /nfs/dbraw/zinc/15/85/69/599158569.db2.gz QAAIHJGIPNZAGN-UHFFFAOYSA-N -1 3 354.370 3.348 20 0 FGADHM Clc1cccnc1SCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000737585020 599162028 /nfs/dbraw/zinc/16/20/28/599162028.db2.gz WRQXAPZQRSEOHM-UHFFFAOYSA-N -1 3 371.813 3.257 20 0 FGADHM Clc1cccnc1SCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000737585020 599162030 /nfs/dbraw/zinc/16/20/30/599162030.db2.gz WRQXAPZQRSEOHM-UHFFFAOYSA-N -1 3 371.813 3.257 20 0 FGADHM Cc1ccccc1CNC(=O)[C@H](C)Sc1ccc(-c2nnn[n-]2)cc1F ZINC000737427820 599173525 /nfs/dbraw/zinc/17/35/25/599173525.db2.gz FUWFZHUGZSEDCQ-LBPRGKRZSA-N -1 3 371.441 3.111 20 0 FGADHM Cc1ccccc1CNC(=O)[C@H](C)Sc1ccc(-c2nn[n-]n2)cc1F ZINC000737427820 599173527 /nfs/dbraw/zinc/17/35/27/599173527.db2.gz FUWFZHUGZSEDCQ-LBPRGKRZSA-N -1 3 371.441 3.111 20 0 FGADHM C[C@@H]1CCc2c(C(=O)NCc3cc(-c4nnn[n-]4)ccc3F)csc2C1 ZINC000820728369 599176048 /nfs/dbraw/zinc/17/60/48/599176048.db2.gz VFNILVDAMCGVAV-SNVBAGLBSA-N -1 3 371.441 3.122 20 0 FGADHM C[C@@H]1CCc2c(C(=O)NCc3cc(-c4nn[n-]n4)ccc3F)csc2C1 ZINC000820728369 599176049 /nfs/dbraw/zinc/17/60/49/599176049.db2.gz VFNILVDAMCGVAV-SNVBAGLBSA-N -1 3 371.441 3.122 20 0 FGADHM Cc1cc(C)cc(C[C@@H](C)NC(=S)Nc2ccccc2-c2nnn[n-]2)c1 ZINC000737253940 599176405 /nfs/dbraw/zinc/17/64/05/599176405.db2.gz VFDDWMFGCDDHSX-CQSZACIVSA-N -1 3 366.494 3.401 20 0 FGADHM Cc1cc(C)cc(C[C@@H](C)NC(=S)Nc2ccccc2-c2nn[n-]n2)c1 ZINC000737253940 599176408 /nfs/dbraw/zinc/17/64/08/599176408.db2.gz VFDDWMFGCDDHSX-CQSZACIVSA-N -1 3 366.494 3.401 20 0 FGADHM Cn1c(C(=O)Nc2sccc2-c2nnn[n-]2)ccc1-c1ccccc1 ZINC000737590057 599181338 /nfs/dbraw/zinc/18/13/38/599181338.db2.gz FWVOOOOIJWBBRM-UHFFFAOYSA-N -1 3 350.407 3.186 20 0 FGADHM Cn1c(C(=O)Nc2sccc2-c2nn[n-]n2)ccc1-c1ccccc1 ZINC000737590057 599181339 /nfs/dbraw/zinc/18/13/39/599181339.db2.gz FWVOOOOIJWBBRM-UHFFFAOYSA-N -1 3 350.407 3.186 20 0 FGADHM CC(C)=CCOc1cccc(C(=O)N(C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000735679745 599183602 /nfs/dbraw/zinc/18/36/02/599183602.db2.gz NCHUKGDDWGOEHM-UHFFFAOYSA-N -1 3 363.421 3.488 20 0 FGADHM CC(C)=CCOc1cccc(C(=O)N(C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000735679745 599183605 /nfs/dbraw/zinc/18/36/05/599183605.db2.gz NCHUKGDDWGOEHM-UHFFFAOYSA-N -1 3 363.421 3.488 20 0 FGADHM CCN(C(=O)c1ccc(OC)cc1C)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736507128 599183066 /nfs/dbraw/zinc/18/30/66/599183066.db2.gz AMLFXJYFQCEXBG-AWEZNQCLSA-N -1 3 365.437 3.407 20 0 FGADHM CCN(C(=O)c1ccc(OC)cc1C)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736507128 599183068 /nfs/dbraw/zinc/18/30/68/599183068.db2.gz AMLFXJYFQCEXBG-AWEZNQCLSA-N -1 3 365.437 3.407 20 0 FGADHM CC(C)(C)[C@H]1CCCN(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000735598371 599188876 /nfs/dbraw/zinc/18/88/76/599188876.db2.gz YYZMVRWYBUYICV-HNNXBMFYSA-N -1 3 374.464 3.364 20 0 FGADHM CC(C)(C)[C@H]1CCCN(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000735598371 599188878 /nfs/dbraw/zinc/18/88/78/599188878.db2.gz YYZMVRWYBUYICV-HNNXBMFYSA-N -1 3 374.464 3.364 20 0 FGADHM CC(C)c1ccc(CCCNC(=O)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735924355 599196598 /nfs/dbraw/zinc/19/65/98/599196598.db2.gz RNYLNADAMUJOIJ-UHFFFAOYSA-N -1 3 363.465 3.282 20 0 FGADHM CC(C)c1ccc(CCCNC(=O)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735924355 599196599 /nfs/dbraw/zinc/19/65/99/599196599.db2.gz RNYLNADAMUJOIJ-UHFFFAOYSA-N -1 3 363.465 3.282 20 0 FGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)C[C@@H](C)n1cccc1 ZINC000735904402 599199060 /nfs/dbraw/zinc/19/90/60/599199060.db2.gz OFTIVZJQLJCQJE-CYBMUJFWSA-N -1 3 354.414 3.045 20 0 FGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)C[C@@H](C)n1cccc1 ZINC000735904402 599199062 /nfs/dbraw/zinc/19/90/62/599199062.db2.gz OFTIVZJQLJCQJE-CYBMUJFWSA-N -1 3 354.414 3.045 20 0 FGADHM O=C(NCCc1cccs1)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000826440137 607833573 /nfs/dbraw/zinc/83/35/73/607833573.db2.gz ZTJHLINQITUWJF-UHFFFAOYSA-N -1 3 368.249 3.208 20 0 FGADHM O=C(NCCc1cccs1)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000826440137 607833574 /nfs/dbraw/zinc/83/35/74/607833574.db2.gz ZTJHLINQITUWJF-UHFFFAOYSA-N -1 3 368.249 3.208 20 0 FGADHM CCC[C@H](CC1CCCC1)C(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000736422712 599211867 /nfs/dbraw/zinc/21/18/67/599211867.db2.gz OETWHCOTRZUHBC-QGZVFWFLSA-N -1 3 371.485 3.358 20 0 FGADHM COCCOC(=O)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000737005551 599216688 /nfs/dbraw/zinc/21/66/88/599216688.db2.gz IIMXRMRSHVDUHC-UHFFFAOYSA-N -1 3 374.784 3.116 20 0 FGADHM CC[C@@H](C)N(Cc1ccccc1)C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000736328319 599218103 /nfs/dbraw/zinc/21/81/03/599218103.db2.gz WEPXYFPKROXHKJ-OAHLLOKOSA-N -1 3 364.453 3.377 20 0 FGADHM CC[C@@H](C)N(Cc1ccccc1)C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000736328319 599218106 /nfs/dbraw/zinc/21/81/06/599218106.db2.gz WEPXYFPKROXHKJ-OAHLLOKOSA-N -1 3 364.453 3.377 20 0 FGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N1CCC2(C1)CCCCC2 ZINC000737942333 599223571 /nfs/dbraw/zinc/22/35/71/599223571.db2.gz IXUXBGICPWPXCH-UHFFFAOYSA-N -1 3 357.483 3.142 20 0 FGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N1CCC2(C1)CCCCC2 ZINC000737942333 599223574 /nfs/dbraw/zinc/22/35/74/599223574.db2.gz IXUXBGICPWPXCH-UHFFFAOYSA-N -1 3 357.483 3.142 20 0 FGADHM CC(C)(CNC(=O)CCc1ccc(-c2nnn[n-]2)cc1)Cc1ccccc1 ZINC000735666689 599226278 /nfs/dbraw/zinc/22/62/78/599226278.db2.gz RKNCRVISGFGDGW-UHFFFAOYSA-N -1 3 363.465 3.184 20 0 FGADHM CC(C)(CNC(=O)CCc1ccc(-c2nn[n-]n2)cc1)Cc1ccccc1 ZINC000735666689 599226279 /nfs/dbraw/zinc/22/62/79/599226279.db2.gz RKNCRVISGFGDGW-UHFFFAOYSA-N -1 3 363.465 3.184 20 0 FGADHM Cc1cc(F)ccc1N1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737269337 599231477 /nfs/dbraw/zinc/23/14/77/599231477.db2.gz DKLVISAPEJWNIT-QGZVFWFLSA-N -1 3 352.417 3.395 20 0 FGADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)Nc1ccccc1CC(F)(F)F ZINC000737955304 599227798 /nfs/dbraw/zinc/22/77/98/599227798.db2.gz DRSCJQUKWWWZHB-UHFFFAOYSA-N -1 3 361.327 3.153 20 0 FGADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)Nc1ccccc1CC(F)(F)F ZINC000737955304 599227801 /nfs/dbraw/zinc/22/78/01/599227801.db2.gz DRSCJQUKWWWZHB-UHFFFAOYSA-N -1 3 361.327 3.153 20 0 FGADHM CCc1cccc(C)c1NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000821492171 599235678 /nfs/dbraw/zinc/23/56/78/599235678.db2.gz JFSXMDOOFDHJHP-UHFFFAOYSA-N -1 3 354.389 3.198 20 0 FGADHM CCc1cccc(C)c1NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000821492171 599235681 /nfs/dbraw/zinc/23/56/81/599235681.db2.gz JFSXMDOOFDHJHP-UHFFFAOYSA-N -1 3 354.389 3.198 20 0 FGADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)Nc1cccc2ccccc21 ZINC000823238937 599236693 /nfs/dbraw/zinc/23/66/93/599236693.db2.gz ULIIPYXHKIIFGY-UHFFFAOYSA-N -1 3 362.368 3.481 20 0 FGADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)Nc1cccc2ccccc21 ZINC000823238937 599236695 /nfs/dbraw/zinc/23/66/95/599236695.db2.gz ULIIPYXHKIIFGY-UHFFFAOYSA-N -1 3 362.368 3.481 20 0 FGADHM Cc1c(NC(=O)COc2ccc(C(C)C)cc2)cccc1-c1nnn[n-]1 ZINC000822075322 607268135 /nfs/dbraw/zinc/26/81/35/607268135.db2.gz BTUKDWWRNNGERU-UHFFFAOYSA-N -1 3 351.410 3.316 20 0 FGADHM Cc1c(NC(=O)COc2ccc(C(C)C)cc2)cccc1-c1nn[n-]n1 ZINC000822075322 607268136 /nfs/dbraw/zinc/26/81/36/607268136.db2.gz BTUKDWWRNNGERU-UHFFFAOYSA-N -1 3 351.410 3.316 20 0 FGADHM O=C(C[C@@H]1CCOc2ccccc21)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000737819111 599246750 /nfs/dbraw/zinc/24/67/50/599246750.db2.gz MHMAVJPYBDSECH-NSHDSACASA-N -1 3 369.812 3.415 20 0 FGADHM O=C(C[C@@H]1CCOc2ccccc21)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000737819111 599246752 /nfs/dbraw/zinc/24/67/52/599246752.db2.gz MHMAVJPYBDSECH-NSHDSACASA-N -1 3 369.812 3.415 20 0 FGADHM O=C(C[C@H]1CCOc2ccccc21)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737817859 599246993 /nfs/dbraw/zinc/24/69/93/599246993.db2.gz FBAKQYYYMOFMGC-LLVKDONJSA-N -1 3 369.812 3.415 20 0 FGADHM O=C(C[C@H]1CCOc2ccccc21)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737817859 599246996 /nfs/dbraw/zinc/24/69/96/599246996.db2.gz FBAKQYYYMOFMGC-LLVKDONJSA-N -1 3 369.812 3.415 20 0 FGADHM O=C([O-])Cc1cccc(NC(=O)NC[C@H](c2cccs2)N2CCCC2)c1 ZINC000738626871 597184158 /nfs/dbraw/zinc/18/41/58/597184158.db2.gz XOTMMSIGCOXOTH-MRXNPFEDSA-N -1 3 373.478 3.334 20 0 FGADHM CC(C)c1csc(NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000820197964 599249112 /nfs/dbraw/zinc/24/91/12/599249112.db2.gz PVLVQDAISHWYEY-JTQLQIEISA-N -1 3 357.443 3.329 20 0 FGADHM CC(C)c1csc(NC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000820197964 599249115 /nfs/dbraw/zinc/24/91/15/599249115.db2.gz PVLVQDAISHWYEY-JTQLQIEISA-N -1 3 357.443 3.329 20 0 FGADHM Cc1c(NC(=O)N[C@H]2CCc3c2cccc3F)cccc1-c1nnn[n-]1 ZINC000822089749 607281530 /nfs/dbraw/zinc/28/15/30/607281530.db2.gz GMZHBRCKFDSTBI-INIZCTEOSA-N -1 3 352.373 3.123 20 0 FGADHM Cc1c(NC(=O)N[C@H]2CCc3c2cccc3F)cccc1-c1nn[n-]n1 ZINC000822089749 607281531 /nfs/dbraw/zinc/28/15/31/607281531.db2.gz GMZHBRCKFDSTBI-INIZCTEOSA-N -1 3 352.373 3.123 20 0 FGADHM Cc1c(NC(=O)NCC(C)(C)c2cccs2)cccc1-c1nnn[n-]1 ZINC000822096463 607282447 /nfs/dbraw/zinc/28/24/47/607282447.db2.gz NTHRBMLKMUBASF-UHFFFAOYSA-N -1 3 356.455 3.336 20 0 FGADHM Cc1c(NC(=O)NCC(C)(C)c2cccs2)cccc1-c1nn[n-]n1 ZINC000822096463 607282448 /nfs/dbraw/zinc/28/24/48/607282448.db2.gz NTHRBMLKMUBASF-UHFFFAOYSA-N -1 3 356.455 3.336 20 0 FGADHM Cc1c(NC(=O)N2CC3C[C@@H]4CC2C[C@H](C3)C4)cccc1-c1nnn[n-]1 ZINC000822084976 607284841 /nfs/dbraw/zinc/28/48/41/607284841.db2.gz URVPWRXCPHCXOU-DGKWVBSXSA-N -1 3 352.442 3.218 20 0 FGADHM Cc1c(NC(=O)N2CC3C[C@@H]4CC2C[C@H](C3)C4)cccc1-c1nn[n-]n1 ZINC000822084976 607284842 /nfs/dbraw/zinc/28/48/42/607284842.db2.gz URVPWRXCPHCXOU-DGKWVBSXSA-N -1 3 352.442 3.218 20 0 FGADHM Cc1cccc(OCCN(C)c2c(-c3nnn[n-]3)cnc3ccccc32)c1 ZINC000737409181 599262371 /nfs/dbraw/zinc/26/23/71/599262371.db2.gz BOSVOKGTCKTDHE-UHFFFAOYSA-N -1 3 360.421 3.239 20 0 FGADHM Cc1cccc(OCCN(C)c2c(-c3nn[n-]n3)cnc3ccccc32)c1 ZINC000737409181 599262373 /nfs/dbraw/zinc/26/23/73/599262373.db2.gz BOSVOKGTCKTDHE-UHFFFAOYSA-N -1 3 360.421 3.239 20 0 FGADHM Cc1c(NC(=O)N(C)[C@H]2CCc3ccccc3C2)cccc1-c1nnn[n-]1 ZINC000822075247 607292165 /nfs/dbraw/zinc/29/21/65/607292165.db2.gz AKBDOEIUVBATNE-INIZCTEOSA-N -1 3 362.437 3.196 20 0 FGADHM Cc1c(NC(=O)N(C)[C@H]2CCc3ccccc3C2)cccc1-c1nn[n-]n1 ZINC000822075247 607292166 /nfs/dbraw/zinc/29/21/66/607292166.db2.gz AKBDOEIUVBATNE-INIZCTEOSA-N -1 3 362.437 3.196 20 0 FGADHM Cc1c(NC(=O)N[C@@H](C)c2c(F)cccc2F)cccc1-c1nnn[n-]1 ZINC000822088953 607292389 /nfs/dbraw/zinc/29/23/89/607292389.db2.gz BPDPIOFPACLYIQ-JTQLQIEISA-N -1 3 358.352 3.336 20 0 FGADHM Cc1c(NC(=O)N[C@@H](C)c2c(F)cccc2F)cccc1-c1nn[n-]n1 ZINC000822088953 607292390 /nfs/dbraw/zinc/29/23/90/607292390.db2.gz BPDPIOFPACLYIQ-JTQLQIEISA-N -1 3 358.352 3.336 20 0 FGADHM Cc1cc(Cl)cc2c1N(C(=O)c1cccc(-c3nnn[n-]3)c1)CCC2 ZINC000737265775 599259466 /nfs/dbraw/zinc/25/94/66/599259466.db2.gz YRRXQFGLQNTFHU-UHFFFAOYSA-N -1 3 353.813 3.422 20 0 FGADHM Cc1cc(Cl)cc2c1N(C(=O)c1cccc(-c3nn[n-]n3)c1)CCC2 ZINC000737265775 599259468 /nfs/dbraw/zinc/25/94/68/599259468.db2.gz YRRXQFGLQNTFHU-UHFFFAOYSA-N -1 3 353.813 3.422 20 0 FGADHM FC(F)Oc1ccc(CNc2c(-c3nnn[n-]3)cnc3ccccc32)cc1 ZINC000737638092 599260165 /nfs/dbraw/zinc/26/01/65/599260165.db2.gz CQUGMOJVIJVYBY-UHFFFAOYSA-N -1 3 368.347 3.050 20 0 FGADHM FC(F)Oc1ccc(CNc2c(-c3nn[n-]n3)cnc3ccccc32)cc1 ZINC000737638092 599260167 /nfs/dbraw/zinc/26/01/67/599260167.db2.gz CQUGMOJVIJVYBY-UHFFFAOYSA-N -1 3 368.347 3.050 20 0 FGADHM Cc1c(NC(=O)c2cc(C3CC3)n(C(C)(C)C)n2)cccc1-c1nnn[n-]1 ZINC000822107859 607297521 /nfs/dbraw/zinc/29/75/21/607297521.db2.gz FNSRRNJSXRPABI-UHFFFAOYSA-N -1 3 365.441 3.256 20 0 FGADHM Cc1c(NC(=O)c2cc(C3CC3)n(C(C)(C)C)n2)cccc1-c1nn[n-]n1 ZINC000822107859 607297522 /nfs/dbraw/zinc/29/75/22/607297522.db2.gz FNSRRNJSXRPABI-UHFFFAOYSA-N -1 3 365.441 3.256 20 0 FGADHM Cc1cccc([C@H]2CCCN2C(=O)c2ncc(-c3nnn[n-]3)cc2Cl)c1 ZINC000822299871 607299847 /nfs/dbraw/zinc/29/98/47/607299847.db2.gz XNFANUHBWUFIRQ-OAHLLOKOSA-N -1 3 368.828 3.201 20 0 FGADHM Cc1cccc([C@H]2CCCN2C(=O)c2ncc(-c3nn[n-]n3)cc2Cl)c1 ZINC000822299871 607299848 /nfs/dbraw/zinc/29/98/48/607299848.db2.gz XNFANUHBWUFIRQ-OAHLLOKOSA-N -1 3 368.828 3.201 20 0 FGADHM CN(C)c1cccc(CN(C)c2c(-c3nnn[n-]3)cnc3ccccc32)c1 ZINC000821590942 607307070 /nfs/dbraw/zinc/30/70/70/607307070.db2.gz NBQLLDDEAOKIHM-UHFFFAOYSA-N -1 3 359.437 3.117 20 0 FGADHM CN(C)c1cccc(CN(C)c2c(-c3nn[n-]n3)cnc3ccccc32)c1 ZINC000821590942 607307071 /nfs/dbraw/zinc/30/70/71/607307071.db2.gz NBQLLDDEAOKIHM-UHFFFAOYSA-N -1 3 359.437 3.117 20 0 FGADHM FC(F)(F)COc1ccccc1NCc1ccc(-c2nnn[n-]2)s1 ZINC000822718283 607310850 /nfs/dbraw/zinc/31/08/50/607310850.db2.gz GOKNDASJJLBBIP-UHFFFAOYSA-N -1 3 355.345 3.481 20 0 FGADHM Cc1cc(NCc2cc(-c3nnn[n-]3)cs2)ccc1N1CCSCC1 ZINC000822209472 607315367 /nfs/dbraw/zinc/31/53/67/607315367.db2.gz KGMWSFOOTDIDTN-UHFFFAOYSA-N -1 3 372.523 3.402 20 0 FGADHM Cc1cc(NCc2cc(-c3nn[n-]n3)cs2)ccc1N1CCSCC1 ZINC000822209472 607315368 /nfs/dbraw/zinc/31/53/68/607315368.db2.gz KGMWSFOOTDIDTN-UHFFFAOYSA-N -1 3 372.523 3.402 20 0 FGADHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)NC(C1CCCC1)C1CCCC1 ZINC000737895152 599266012 /nfs/dbraw/zinc/26/60/12/599266012.db2.gz MWSKJSABVGXXRD-UHFFFAOYSA-N -1 3 368.485 3.144 20 0 FGADHM CN(C)c1cccc([C@H]2CCCN2c2ncc(-c3nnn[n-]3)cc2Cl)c1 ZINC000736781357 599266918 /nfs/dbraw/zinc/26/69/18/599266918.db2.gz YMTUIBWCWFHONJ-MRXNPFEDSA-N -1 3 369.860 3.323 20 0 FGADHM CN(C)c1cccc([C@H]2CCCN2c2ncc(-c3nn[n-]n3)cc2Cl)c1 ZINC000736781357 599266919 /nfs/dbraw/zinc/26/69/19/599266919.db2.gz YMTUIBWCWFHONJ-MRXNPFEDSA-N -1 3 369.860 3.323 20 0 FGADHM Fc1cc(-c2nnn[n-]2)cc(F)c1N1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000737639401 599267887 /nfs/dbraw/zinc/26/78/87/599267887.db2.gz QMVTULGFCIHBBA-CQSZACIVSA-N -1 3 371.347 3.215 20 0 FGADHM Fc1cc(-c2nn[n-]n2)cc(F)c1N1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000737639401 599267889 /nfs/dbraw/zinc/26/78/89/599267889.db2.gz QMVTULGFCIHBBA-CQSZACIVSA-N -1 3 371.347 3.215 20 0 FGADHM CCOC(=O)CCCCCSCc1ccc(F)cc1-c1nnn[n-]1 ZINC000736593224 599275764 /nfs/dbraw/zinc/27/57/64/599275764.db2.gz ZVCCIQRKXFWYDZ-UHFFFAOYSA-N -1 3 352.435 3.363 20 0 FGADHM CCOC(=O)CCCCCSCc1ccc(F)cc1-c1nn[n-]n1 ZINC000736593224 599275765 /nfs/dbraw/zinc/27/57/65/599275765.db2.gz ZVCCIQRKXFWYDZ-UHFFFAOYSA-N -1 3 352.435 3.363 20 0 FGADHM CCOC(=O)CCCCCSCc1ccc(-c2nnn[n-]2)cc1F ZINC000736591344 599276185 /nfs/dbraw/zinc/27/61/85/599276185.db2.gz ARCJRWDEFMQYPU-UHFFFAOYSA-N -1 3 352.435 3.363 20 0 FGADHM CCOC(=O)CCCCCSCc1ccc(-c2nn[n-]n2)cc1F ZINC000736591344 599276188 /nfs/dbraw/zinc/27/61/88/599276188.db2.gz ARCJRWDEFMQYPU-UHFFFAOYSA-N -1 3 352.435 3.363 20 0 FGADHM CC(C)(Cc1ccccc1)C(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000735671295 599277629 /nfs/dbraw/zinc/27/76/29/599277629.db2.gz RUXRTAVKWWWJLD-UHFFFAOYSA-N -1 3 354.385 3.318 20 0 FGADHM CC(C)(Cc1ccccc1)C(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000735671295 599277630 /nfs/dbraw/zinc/27/76/30/599277630.db2.gz RUXRTAVKWWWJLD-UHFFFAOYSA-N -1 3 354.385 3.318 20 0 FGADHM Cc1ccc([C@H](C)OC(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000822270860 607320508 /nfs/dbraw/zinc/32/05/08/607320508.db2.gz ASMIVFCMHWZWJV-KBPBESRZSA-N -1 3 352.394 3.247 20 0 FGADHM Cc1ccc([C@H](C)OC(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000822270860 607320509 /nfs/dbraw/zinc/32/05/09/607320509.db2.gz ASMIVFCMHWZWJV-KBPBESRZSA-N -1 3 352.394 3.247 20 0 FGADHM Cc1cc(-c2nn[n-]n2)cc(C)c1OCC(=O)Nc1cccc(Cl)c1 ZINC000737221803 599283652 /nfs/dbraw/zinc/28/36/52/599283652.db2.gz PAUFEYUJGIYXAZ-UHFFFAOYSA-N -1 3 357.801 3.154 20 0 FGADHM C[C@H]1C[C@H](C)N(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C1 ZINC000820648595 599288130 /nfs/dbraw/zinc/28/81/30/599288130.db2.gz CLFAZMOBJWRGMP-IUCAKERBSA-N -1 3 354.336 3.148 20 0 FGADHM C[C@H]1C[C@H](C)N(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C1 ZINC000820648595 599288132 /nfs/dbraw/zinc/28/81/32/599288132.db2.gz CLFAZMOBJWRGMP-IUCAKERBSA-N -1 3 354.336 3.148 20 0 FGADHM Cc1cccc(-n2nnnc2S[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737381759 599288598 /nfs/dbraw/zinc/28/85/98/599288598.db2.gz NJULSBWAOJIEHQ-LBPRGKRZSA-N -1 3 364.438 3.004 20 0 FGADHM Cc1cccc(-n2nnnc2S[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737381759 599288600 /nfs/dbraw/zinc/28/86/00/599288600.db2.gz NJULSBWAOJIEHQ-LBPRGKRZSA-N -1 3 364.438 3.004 20 0 FGADHM C[C@H]1CCCCN1C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820706321 599289335 /nfs/dbraw/zinc/28/93/35/599289335.db2.gz YTWLIRMBROGYLY-VIFPVBQESA-N -1 3 354.336 3.292 20 0 FGADHM C[C@H]1CCCCN1C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820706321 599289337 /nfs/dbraw/zinc/28/93/37/599289337.db2.gz YTWLIRMBROGYLY-VIFPVBQESA-N -1 3 354.336 3.292 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)N1C2CCC1CC2 ZINC000823303563 599289948 /nfs/dbraw/zinc/28/99/48/599289948.db2.gz MZNMBUMGWFNCLN-UHFFFAOYSA-N -1 3 352.320 3.044 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)N1C2CCC1CC2 ZINC000823303563 599289951 /nfs/dbraw/zinc/28/99/51/599289951.db2.gz MZNMBUMGWFNCLN-UHFFFAOYSA-N -1 3 352.320 3.044 20 0 FGADHM Cc1nc(-c2ccccc2)oc1C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000822419038 607321402 /nfs/dbraw/zinc/32/14/02/607321402.db2.gz LLHKVMCLXIYIBL-UHFFFAOYSA-N -1 3 360.377 3.391 20 0 FGADHM Cc1nc(-c2ccccc2)oc1C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000822419038 607321403 /nfs/dbraw/zinc/32/14/03/607321403.db2.gz LLHKVMCLXIYIBL-UHFFFAOYSA-N -1 3 360.377 3.391 20 0 FGADHM C[C@@H](NC(=O)c1ccccc1OC1CCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736121549 599290805 /nfs/dbraw/zinc/29/08/05/599290805.db2.gz DCNQNQVCAHTPMA-CYBMUJFWSA-N -1 3 363.421 3.289 20 0 FGADHM C[C@@H](NC(=O)c1ccccc1OC1CCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736121549 599290808 /nfs/dbraw/zinc/29/08/08/599290808.db2.gz DCNQNQVCAHTPMA-CYBMUJFWSA-N -1 3 363.421 3.289 20 0 FGADHM Cc1nccn1CCCCSc1nc2c(c(C)c1-c1nnn[n-]1)CCC2 ZINC000826242995 608393541 /nfs/dbraw/zinc/39/35/41/608393541.db2.gz PDHVRHOPXKFKHR-UHFFFAOYSA-N -1 3 369.498 3.136 20 0 FGADHM O=C([O-])CCCCNCc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000635315031 598166065 /nfs/dbraw/zinc/16/60/65/598166065.db2.gz FXRAISVSZQZXBD-UHFFFAOYSA-N -1 3 352.232 3.184 20 0 FGADHM O=C([O-])c1cccc(CNCc2ccc(COC3CCOCC3)cc2)c1 ZINC000263410451 598204914 /nfs/dbraw/zinc/20/49/14/598204914.db2.gz LGKLTLKQEKJWGL-UHFFFAOYSA-N -1 3 355.434 3.370 20 0 FGADHM O=C(Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)c1cccnc1 ZINC000738182329 598231005 /nfs/dbraw/zinc/23/10/05/598231005.db2.gz DGGDUEQACMDPHP-UHFFFAOYSA-N -1 3 358.361 3.306 20 0 FGADHM O=C(Cc1ccccc1C(F)(F)F)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737974225 598231184 /nfs/dbraw/zinc/23/11/84/598231184.db2.gz KOULLENWURDWFM-UHFFFAOYSA-N -1 3 365.290 3.206 20 0 FGADHM O=C(Cc1ccccc1C(F)(F)F)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737974225 598231186 /nfs/dbraw/zinc/23/11/86/598231186.db2.gz KOULLENWURDWFM-UHFFFAOYSA-N -1 3 365.290 3.206 20 0 FGADHM CCO[C@@H](CC)C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736615670 598231979 /nfs/dbraw/zinc/23/19/79/598231979.db2.gz KONHSAOBRGLOLQ-KRWDZBQOSA-N -1 3 367.409 3.413 20 0 FGADHM CCO[C@@H](CC)C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736615670 598231981 /nfs/dbraw/zinc/23/19/81/598231981.db2.gz KONHSAOBRGLOLQ-KRWDZBQOSA-N -1 3 367.409 3.413 20 0 FGADHM Cc1cc(F)ccc1C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000822204403 607347989 /nfs/dbraw/zinc/34/79/89/607347989.db2.gz NWXBJPRRPGXCQH-UHFFFAOYSA-N -1 3 351.385 3.119 20 0 FGADHM Cc1cc(F)ccc1C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000822204403 607347990 /nfs/dbraw/zinc/34/79/90/607347990.db2.gz NWXBJPRRPGXCQH-UHFFFAOYSA-N -1 3 351.385 3.119 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)CCc1cc(C)cc(C)c1 ZINC000821699504 607348135 /nfs/dbraw/zinc/34/81/35/607348135.db2.gz SNWXYNIBJABWFS-UHFFFAOYSA-N -1 3 352.394 3.030 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)CCc1cc(C)cc(C)c1 ZINC000821699504 607348136 /nfs/dbraw/zinc/34/81/36/607348136.db2.gz SNWXYNIBJABWFS-UHFFFAOYSA-N -1 3 352.394 3.030 20 0 FGADHM Fc1ccc2[nH]c3c(c2c1)CN(Cc1ccc(-c2nnn[n-]2)cc1F)CC3 ZINC000737656992 598251028 /nfs/dbraw/zinc/25/10/28/598251028.db2.gz RXOUHHFHABNSAG-UHFFFAOYSA-N -1 3 366.375 3.185 20 0 FGADHM Fc1ccc2[nH]c3c(c2c1)CN(Cc1ccc(-c2nn[n-]n2)cc1F)CC3 ZINC000737656992 598251030 /nfs/dbraw/zinc/25/10/30/598251030.db2.gz RXOUHHFHABNSAG-UHFFFAOYSA-N -1 3 366.375 3.185 20 0 FGADHM Cc1cccc2c1CC[C@H]2NC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000737411361 598273119 /nfs/dbraw/zinc/27/31/19/598273119.db2.gz WXJOXDWUPNHTOG-GOSISDBHSA-N -1 3 362.437 3.004 20 0 FGADHM Cc1cccc2c1CC[C@H]2NC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000737411361 598273120 /nfs/dbraw/zinc/27/31/20/598273120.db2.gz WXJOXDWUPNHTOG-GOSISDBHSA-N -1 3 362.437 3.004 20 0 FGADHM CN(C(=O)CCc1ccc(Cl)s1)c1ccc(-c2nnn[n-]2)cc1F ZINC000736732066 598280074 /nfs/dbraw/zinc/28/00/74/598280074.db2.gz JMOJBCGJFUGEGL-UHFFFAOYSA-N -1 3 365.821 3.316 20 0 FGADHM CN(C(=O)CCc1ccc(Cl)s1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736732066 598280076 /nfs/dbraw/zinc/28/00/76/598280076.db2.gz JMOJBCGJFUGEGL-UHFFFAOYSA-N -1 3 365.821 3.316 20 0 FGADHM CN(C(=O)Cc1csc2ccccc12)c1ccc(-c2nnn[n-]2)cc1F ZINC000736738638 598280087 /nfs/dbraw/zinc/28/00/87/598280087.db2.gz DXKVIIVNJLKABS-UHFFFAOYSA-N -1 3 367.409 3.426 20 0 FGADHM CN(C(=O)Cc1csc2ccccc12)c1ccc(-c2nn[n-]n2)cc1F ZINC000736738638 598280090 /nfs/dbraw/zinc/28/00/90/598280090.db2.gz DXKVIIVNJLKABS-UHFFFAOYSA-N -1 3 367.409 3.426 20 0 FGADHM Cc1cc(C)cc(-c2cc(NC(=O)Cc3ccc(-c4nnn[n-]4)cc3)n[nH]2)c1 ZINC000737248712 598286665 /nfs/dbraw/zinc/28/66/65/598286665.db2.gz LSRDUMLZJKOHCR-UHFFFAOYSA-N -1 3 373.420 3.055 20 0 FGADHM Cc1cc(C)cc(-c2cc(NC(=O)Cc3ccc(-c4nn[n-]n4)cc3)n[nH]2)c1 ZINC000737248712 598286667 /nfs/dbraw/zinc/28/66/67/598286667.db2.gz LSRDUMLZJKOHCR-UHFFFAOYSA-N -1 3 373.420 3.055 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)c1sccc1OC(F)F ZINC000738235573 598289449 /nfs/dbraw/zinc/28/94/49/598289449.db2.gz NSCHNWRGYBQNGO-UHFFFAOYSA-N -1 3 370.312 3.026 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)c1sccc1OC(F)F ZINC000738235573 598289450 /nfs/dbraw/zinc/28/94/50/598289450.db2.gz NSCHNWRGYBQNGO-UHFFFAOYSA-N -1 3 370.312 3.026 20 0 FGADHM O=C1[C@@H](Sc2cccc(Cl)c2)CCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000738297649 598294648 /nfs/dbraw/zinc/29/46/48/598294648.db2.gz SXQMPSWBMKAKBC-HNNXBMFYSA-N -1 3 371.853 3.418 20 0 FGADHM O=C1[C@@H](Sc2cccc(Cl)c2)CCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738297649 598294649 /nfs/dbraw/zinc/29/46/49/598294649.db2.gz SXQMPSWBMKAKBC-HNNXBMFYSA-N -1 3 371.853 3.418 20 0 FGADHM CCCC[C@H](CC)CNC(=S)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000736437715 598295707 /nfs/dbraw/zinc/29/57/07/598295707.db2.gz KIINIVYMZQSOEF-LBPRGKRZSA-N -1 3 364.494 3.186 20 0 FGADHM CCCC[C@H](CC)CNC(=S)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000736437715 598295708 /nfs/dbraw/zinc/29/57/08/598295708.db2.gz KIINIVYMZQSOEF-LBPRGKRZSA-N -1 3 364.494 3.186 20 0 FGADHM O=C(Cc1ccc2ccccc2c1)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737966971 598305565 /nfs/dbraw/zinc/30/55/65/598305565.db2.gz OIDATDXJOBGWAS-UHFFFAOYSA-N -1 3 361.380 3.018 20 0 FGADHM O=C(Cc1ccc2ccccc2c1)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737966971 598305568 /nfs/dbraw/zinc/30/55/68/598305568.db2.gz OIDATDXJOBGWAS-UHFFFAOYSA-N -1 3 361.380 3.018 20 0 FGADHM CCCCC[C@H](C)NC(=O)CSCc1ccc(F)cc1-c1nnn[n-]1 ZINC000736441497 598314601 /nfs/dbraw/zinc/31/46/01/598314601.db2.gz QXZXEJZPGHBYGS-LBPRGKRZSA-N -1 3 365.478 3.324 20 0 FGADHM CCCCC[C@H](C)NC(=O)CSCc1ccc(F)cc1-c1nn[n-]n1 ZINC000736441497 598314602 /nfs/dbraw/zinc/31/46/02/598314602.db2.gz QXZXEJZPGHBYGS-LBPRGKRZSA-N -1 3 365.478 3.324 20 0 FGADHM Fc1cc(-c2nnn[n-]2)ccc1CNCc1csc(-c2ccsc2)n1 ZINC000737640466 598315705 /nfs/dbraw/zinc/31/57/05/598315705.db2.gz YGCZJFWADXOSBH-UHFFFAOYSA-N -1 3 372.454 3.481 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1CNCc1csc(-c2ccsc2)n1 ZINC000737640466 598315707 /nfs/dbraw/zinc/31/57/07/598315707.db2.gz YGCZJFWADXOSBH-UHFFFAOYSA-N -1 3 372.454 3.481 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=S)N[C@@H](C)c1cccs1 ZINC000736635811 598321737 /nfs/dbraw/zinc/32/17/37/598321737.db2.gz ZRXBSIGPOSCRSS-JTQLQIEISA-N -1 3 374.495 3.375 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=S)N[C@@H](C)c1cccs1 ZINC000736635811 598321739 /nfs/dbraw/zinc/32/17/39/598321739.db2.gz ZRXBSIGPOSCRSS-JTQLQIEISA-N -1 3 374.495 3.375 20 0 FGADHM CCN(Cc1ccoc1)C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736555063 598323598 /nfs/dbraw/zinc/32/35/98/598323598.db2.gz CWEUPJJDUSOPJC-UHFFFAOYSA-N -1 3 362.846 3.332 20 0 FGADHM CCN(Cc1ccoc1)C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736555063 598323600 /nfs/dbraw/zinc/32/36/00/598323600.db2.gz CWEUPJJDUSOPJC-UHFFFAOYSA-N -1 3 362.846 3.332 20 0 FGADHM C[C@@H](c1ccccn1)N(C)C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736204532 598323761 /nfs/dbraw/zinc/32/37/61/598323761.db2.gz RGDNJICCJPTPAL-JTQLQIEISA-N -1 3 373.873 3.305 20 0 FGADHM C[C@@H](c1ccccn1)N(C)C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736204532 598323763 /nfs/dbraw/zinc/32/37/63/598323763.db2.gz RGDNJICCJPTPAL-JTQLQIEISA-N -1 3 373.873 3.305 20 0 FGADHM O=C(OCCc1ccccc1C(F)(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000738223636 598332436 /nfs/dbraw/zinc/33/24/36/598332436.db2.gz UYYDBPQQTLISDQ-UHFFFAOYSA-N -1 3 362.311 3.285 20 0 FGADHM O=C(OCCc1ccccc1C(F)(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000738223636 598332437 /nfs/dbraw/zinc/33/24/37/598332437.db2.gz UYYDBPQQTLISDQ-UHFFFAOYSA-N -1 3 362.311 3.285 20 0 FGADHM CC(C)Oc1ccccc1C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000735912419 598358655 /nfs/dbraw/zinc/35/86/55/598358655.db2.gz CDLWVAKAXNEETP-CYBMUJFWSA-N -1 3 351.410 3.145 20 0 FGADHM CC(C)Oc1ccccc1C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000735912419 598358657 /nfs/dbraw/zinc/35/86/57/598358657.db2.gz CDLWVAKAXNEETP-CYBMUJFWSA-N -1 3 351.410 3.145 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cn(C)nc1C1CCCCC1 ZINC000737295666 598365120 /nfs/dbraw/zinc/36/51/20/598365120.db2.gz YQFLMJWORZBWLR-UHFFFAOYSA-N -1 3 365.441 3.209 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cn(C)nc1C1CCCCC1 ZINC000737295666 598365122 /nfs/dbraw/zinc/36/51/22/598365122.db2.gz YQFLMJWORZBWLR-UHFFFAOYSA-N -1 3 365.441 3.209 20 0 FGADHM Clc1ccccc1C1(CNc2ccc(-c3nnn[n-]3)cn2)CCOCC1 ZINC000737583404 598365432 /nfs/dbraw/zinc/36/54/32/598365432.db2.gz KKUASRYVAQIKMY-UHFFFAOYSA-N -1 3 370.844 3.075 20 0 FGADHM Clc1ccccc1C1(CNc2ccc(-c3nn[n-]n3)cn2)CCOCC1 ZINC000737583404 598365434 /nfs/dbraw/zinc/36/54/34/598365434.db2.gz KKUASRYVAQIKMY-UHFFFAOYSA-N -1 3 370.844 3.075 20 0 FGADHM Cc1ccccc1C1(C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)CC1 ZINC000737421462 598380895 /nfs/dbraw/zinc/38/08/95/598380895.db2.gz NHTOPQHYHNVNQV-UHFFFAOYSA-N -1 3 353.813 3.499 20 0 FGADHM Cc1ccccc1C1(C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)CC1 ZINC000737421462 598380897 /nfs/dbraw/zinc/38/08/97/598380897.db2.gz NHTOPQHYHNVNQV-UHFFFAOYSA-N -1 3 353.813 3.499 20 0 FGADHM FC(F)(F)Oc1ccc(CNc2ncc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000737628038 598388629 /nfs/dbraw/zinc/38/86/29/598388629.db2.gz USSUXMJBJOKBIR-UHFFFAOYSA-N -1 3 370.722 3.426 20 0 FGADHM FC(F)(F)Oc1ccc(CNc2ncc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000737628038 598388630 /nfs/dbraw/zinc/38/86/30/598388630.db2.gz USSUXMJBJOKBIR-UHFFFAOYSA-N -1 3 370.722 3.426 20 0 FGADHM COc1cc(C)c([C@@H](C)Nc2ncc(-c3nnn[n-]3)cc2Cl)cc1OC ZINC000737041546 598389879 /nfs/dbraw/zinc/38/98/79/598389879.db2.gz WIRMJLQIEGXCRZ-SNVBAGLBSA-N -1 3 374.832 3.414 20 0 FGADHM COc1cc(C)c([C@@H](C)Nc2ncc(-c3nn[n-]n3)cc2Cl)cc1OC ZINC000737041546 598389881 /nfs/dbraw/zinc/38/98/81/598389881.db2.gz WIRMJLQIEGXCRZ-SNVBAGLBSA-N -1 3 374.832 3.414 20 0 FGADHM Cc1nc(C)c([C@H](C)N(C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)s1 ZINC000737470382 598391548 /nfs/dbraw/zinc/39/15/48/598391548.db2.gz IHILONJPHAQUAB-JTQLQIEISA-N -1 3 357.443 3.165 20 0 FGADHM Cc1nc(C)c([C@H](C)N(C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)s1 ZINC000737470382 598391550 /nfs/dbraw/zinc/39/15/50/598391550.db2.gz IHILONJPHAQUAB-JTQLQIEISA-N -1 3 357.443 3.165 20 0 FGADHM CC(C)(CNc1ncc(-c2nnn[n-]2)cc1Cl)c1ccc2c(c1)OCO2 ZINC000735671299 598392239 /nfs/dbraw/zinc/39/22/39/598392239.db2.gz SCGKOWWNZLVWPA-UHFFFAOYSA-N -1 3 372.816 3.034 20 0 FGADHM CC(C)(CNc1ncc(-c2nn[n-]n2)cc1Cl)c1ccc2c(c1)OCO2 ZINC000735671299 598392240 /nfs/dbraw/zinc/39/22/40/598392240.db2.gz SCGKOWWNZLVWPA-UHFFFAOYSA-N -1 3 372.816 3.034 20 0 FGADHM Cc1ccc(C)c(CSC[C@H](O)COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737322783 598393201 /nfs/dbraw/zinc/39/32/01/598393201.db2.gz NOLVBTRHIJGOFI-QGZVFWFLSA-N -1 3 370.478 3.157 20 0 FGADHM CO[C@@](C)(C(=O)Nc1sc(C)c(C)c1-c1nnn[n-]1)c1ccccc1 ZINC000736957404 598394108 /nfs/dbraw/zinc/39/41/08/598394108.db2.gz RLIBERXMPWRGEY-QGZVFWFLSA-N -1 3 357.439 3.045 20 0 FGADHM CO[C@@](C)(C(=O)Nc1sc(C)c(C)c1-c1nn[n-]n1)c1ccccc1 ZINC000736957404 598394111 /nfs/dbraw/zinc/39/41/11/598394111.db2.gz RLIBERXMPWRGEY-QGZVFWFLSA-N -1 3 357.439 3.045 20 0 FGADHM Cc1nnc(NCC2(c3ccc(Cl)cc3)CCC2)c(-c2nnn[n-]2)c1C ZINC000737520244 598395208 /nfs/dbraw/zinc/39/52/08/598395208.db2.gz IFQBUOFZRDPAAP-UHFFFAOYSA-N -1 3 369.860 3.461 20 0 FGADHM Cc1nnc(NCC2(c3ccc(Cl)cc3)CCC2)c(-c2nn[n-]n2)c1C ZINC000737520244 598395209 /nfs/dbraw/zinc/39/52/09/598395209.db2.gz IFQBUOFZRDPAAP-UHFFFAOYSA-N -1 3 369.860 3.461 20 0 FGADHM Cc1nc(C)c([C@@H](C)N(C)C(=O)CCc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000737470580 598400783 /nfs/dbraw/zinc/40/07/83/598400783.db2.gz JDIPQDIDRCHOGF-GFCCVEGCSA-N -1 3 370.482 3.092 20 0 FGADHM Cc1nc(C)c([C@@H](C)N(C)C(=O)CCc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000737470580 598400785 /nfs/dbraw/zinc/40/07/85/598400785.db2.gz JDIPQDIDRCHOGF-GFCCVEGCSA-N -1 3 370.482 3.092 20 0 FGADHM C[C@@H](Sc1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1ccc(Cl)cc1 ZINC000736192042 598414270 /nfs/dbraw/zinc/41/42/70/598414270.db2.gz KJVURNPDIBMBSR-LLVKDONJSA-N -1 3 373.869 3.317 20 0 FGADHM C[C@@H](Sc1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1ccc(Cl)cc1 ZINC000736192042 598414273 /nfs/dbraw/zinc/41/42/73/598414273.db2.gz KJVURNPDIBMBSR-LLVKDONJSA-N -1 3 373.869 3.317 20 0 FGADHM Cc1ccccc1CCNC(=O)[C@H](C)Sc1ccc(-c2nnn[n-]2)cc1 ZINC000737425893 598417332 /nfs/dbraw/zinc/41/73/32/598417332.db2.gz GGCHTLCNBJZCOT-AWEZNQCLSA-N -1 3 367.478 3.015 20 0 FGADHM Cc1ccccc1CCNC(=O)[C@H](C)Sc1ccc(-c2nn[n-]n2)cc1 ZINC000737425893 598417333 /nfs/dbraw/zinc/41/73/33/598417333.db2.gz GGCHTLCNBJZCOT-AWEZNQCLSA-N -1 3 367.478 3.015 20 0 FGADHM CN(CCOc1ccccc1-c1nnn[n-]1)Cc1ccc(F)cc1Cl ZINC000736804076 598417471 /nfs/dbraw/zinc/41/74/71/598417471.db2.gz HEEPXEYIVOJATI-UHFFFAOYSA-N -1 3 361.808 3.170 20 0 FGADHM CN(CCOc1ccccc1-c1nn[n-]n1)Cc1ccc(F)cc1Cl ZINC000736804076 598417472 /nfs/dbraw/zinc/41/74/72/598417472.db2.gz HEEPXEYIVOJATI-UHFFFAOYSA-N -1 3 361.808 3.170 20 0 FGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)c1sccc1SC(F)F ZINC000110786643 598420348 /nfs/dbraw/zinc/42/03/48/598420348.db2.gz DEOXFDSMZWNBGV-UHFFFAOYSA-N -1 3 367.406 3.173 20 0 FGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)c1sccc1SC(F)F ZINC000110786643 598420349 /nfs/dbraw/zinc/42/03/49/598420349.db2.gz DEOXFDSMZWNBGV-UHFFFAOYSA-N -1 3 367.406 3.173 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1sccc1SC ZINC000736635540 598420804 /nfs/dbraw/zinc/42/08/04/598420804.db2.gz WSWUPPFKAOFJNY-UHFFFAOYSA-N -1 3 361.452 3.301 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1sccc1SC ZINC000736635540 598420806 /nfs/dbraw/zinc/42/08/06/598420806.db2.gz WSWUPPFKAOFJNY-UHFFFAOYSA-N -1 3 361.452 3.301 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1NCCCc1nc2c(s1)CCCC2 ZINC000737639784 598422237 /nfs/dbraw/zinc/42/22/37/598422237.db2.gz FVVMQYNBQLTHDN-UHFFFAOYSA-N -1 3 358.446 3.386 20 0 FGADHM CN(Cc1ccc(F)cc1Cl)C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000736819805 598422631 /nfs/dbraw/zinc/42/26/31/598422631.db2.gz PDUTYFALPMYSPZ-VQHVLOKHSA-N -1 3 371.803 3.331 20 0 FGADHM CN(Cc1ccc(F)cc1Cl)C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000736819805 598422632 /nfs/dbraw/zinc/42/26/32/598422632.db2.gz PDUTYFALPMYSPZ-VQHVLOKHSA-N -1 3 371.803 3.331 20 0 FGADHM Cc1cc(C)cc([C@H](C)NC(=O)NCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737253023 598430334 /nfs/dbraw/zinc/43/03/34/598430334.db2.gz NSIKLQAQNWYPGC-AWEZNQCLSA-N -1 3 350.426 3.044 20 0 FGADHM Cc1cc(C)cc([C@H](C)NC(=O)NCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737253023 598430335 /nfs/dbraw/zinc/43/03/35/598430335.db2.gz NSIKLQAQNWYPGC-AWEZNQCLSA-N -1 3 350.426 3.044 20 0 FGADHM CC[C@](C)(NC(=S)Nc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000736314561 598434601 /nfs/dbraw/zinc/43/46/01/598434601.db2.gz DWELFFOSELXQRY-SFHVURJKSA-N -1 3 352.467 3.479 20 0 FGADHM CC[C@](C)(NC(=S)Nc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000736314561 598434603 /nfs/dbraw/zinc/43/46/03/598434603.db2.gz DWELFFOSELXQRY-SFHVURJKSA-N -1 3 352.467 3.479 20 0 FGADHM O=C(Nc1ccccc1Cc1ccccc1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738192120 598435629 /nfs/dbraw/zinc/43/56/29/598435629.db2.gz WYNFAOZFJYTVMU-UHFFFAOYSA-N -1 3 356.389 3.105 20 0 FGADHM O=C(Nc1ccccc1Cc1ccccc1)c1ccc(-c2nnn[n-]2)cn1 ZINC000738192120 598435626 /nfs/dbraw/zinc/43/56/26/598435626.db2.gz WYNFAOZFJYTVMU-UHFFFAOYSA-N -1 3 356.389 3.105 20 0 FGADHM C[C@H]1CCC[C@@H](NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)C1 ZINC000736257125 598477845 /nfs/dbraw/zinc/47/78/45/598477845.db2.gz BTCSOHQFICZOOA-XJKSGUPXSA-N -1 3 354.458 3.119 20 0 FGADHM C[C@H]1CCC[C@@H](NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)C1 ZINC000736257125 598477846 /nfs/dbraw/zinc/47/78/46/598477846.db2.gz BTCSOHQFICZOOA-XJKSGUPXSA-N -1 3 354.458 3.119 20 0 FGADHM CC(C)(C)c1ncc(C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)s1 ZINC000735655445 598487637 /nfs/dbraw/zinc/48/76/37/598487637.db2.gz PEOZICAFAIJGEX-UHFFFAOYSA-N -1 3 373.486 3.430 20 0 FGADHM CC(C)(C)c1ncc(C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)s1 ZINC000735655445 598487639 /nfs/dbraw/zinc/48/76/39/598487639.db2.gz PEOZICAFAIJGEX-UHFFFAOYSA-N -1 3 373.486 3.430 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)Cc1cccc(Cl)c1 ZINC000736637543 598495805 /nfs/dbraw/zinc/49/58/05/598495805.db2.gz RTPRVQMCXYZWAQ-UHFFFAOYSA-N -1 3 357.801 3.100 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)Cc1cccc(Cl)c1 ZINC000736637543 598495806 /nfs/dbraw/zinc/49/58/06/598495806.db2.gz RTPRVQMCXYZWAQ-UHFFFAOYSA-N -1 3 357.801 3.100 20 0 FGADHM Cc1cccc(N2CCN(c3ccc(-c4nnn[n-]4)c(Cl)c3)CC2)c1 ZINC000737400058 598508291 /nfs/dbraw/zinc/50/82/91/598508291.db2.gz PVBOJDZOHGRWNX-UHFFFAOYSA-N -1 3 354.845 3.155 20 0 FGADHM Cc1cccc(N2CCN(c3ccc(-c4nn[n-]n4)c(Cl)c3)CC2)c1 ZINC000737400058 598508293 /nfs/dbraw/zinc/50/82/93/598508293.db2.gz PVBOJDZOHGRWNX-UHFFFAOYSA-N -1 3 354.845 3.155 20 0 FGADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1F)c1c[nH]nc1C1CCCCC1 ZINC000738232544 598532237 /nfs/dbraw/zinc/53/22/37/598532237.db2.gz RZAKNPUEUSZNHM-UHFFFAOYSA-N -1 3 370.388 3.134 20 0 FGADHM O=C(Cc1cccc(Cl)c1)OCc1cn2ccccc2c1-c1nnn[n-]1 ZINC000737970873 598532265 /nfs/dbraw/zinc/53/22/65/598532265.db2.gz ZLDZBBVCYFTADB-UHFFFAOYSA-N -1 3 367.796 3.059 20 0 FGADHM O=C(Cc1cccc(Cl)c1)OCc1cn2ccccc2c1-c1nn[n-]n1 ZINC000737970873 598532267 /nfs/dbraw/zinc/53/22/67/598532267.db2.gz ZLDZBBVCYFTADB-UHFFFAOYSA-N -1 3 367.796 3.059 20 0 FGADHM O=C(COc1cccc(-c2nnn[n-]2)c1)O[C@@H]1CCc2ccc(Cl)cc21 ZINC000737924792 598537872 /nfs/dbraw/zinc/53/78/72/598537872.db2.gz LIZBUFBBGMVZNV-MRXNPFEDSA-N -1 3 370.796 3.130 20 0 FGADHM O=C(COc1cccc(-c2nn[n-]n2)c1)O[C@@H]1CCc2ccc(Cl)cc21 ZINC000737924792 598537874 /nfs/dbraw/zinc/53/78/74/598537874.db2.gz LIZBUFBBGMVZNV-MRXNPFEDSA-N -1 3 370.796 3.130 20 0 FGADHM CCCC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000736415651 598541619 /nfs/dbraw/zinc/54/16/19/598541619.db2.gz IBYKPAXVIMOQPL-UHFFFAOYSA-N -1 3 351.410 3.493 20 0 FGADHM CCCC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000736415651 598541621 /nfs/dbraw/zinc/54/16/21/598541621.db2.gz IBYKPAXVIMOQPL-UHFFFAOYSA-N -1 3 351.410 3.493 20 0 FGADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)Nc1cc(C(F)(F)F)ccc1F ZINC000737963112 598542992 /nfs/dbraw/zinc/54/29/92/598542992.db2.gz ROTQNIOJFWCNCL-UHFFFAOYSA-N -1 3 365.290 3.206 20 0 FGADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)Nc1cc(C(F)(F)F)ccc1F ZINC000737963112 598542993 /nfs/dbraw/zinc/54/29/93/598542993.db2.gz ROTQNIOJFWCNCL-UHFFFAOYSA-N -1 3 365.290 3.206 20 0 FGADHM Cc1ccc(F)c2c1N(C(=O)C=Cc1ccccc1-c1nnn[n-]1)CCC2 ZINC000737344556 598554296 /nfs/dbraw/zinc/55/42/96/598554296.db2.gz HEXZWSQICRAVBW-LUAWRHEFSA-N -1 3 363.396 3.307 20 0 FGADHM Cc1ccc(F)c2c1N(C(=O)C=Cc1ccccc1-c1nn[n-]n1)CCC2 ZINC000737344556 598554297 /nfs/dbraw/zinc/55/42/97/598554297.db2.gz HEXZWSQICRAVBW-LUAWRHEFSA-N -1 3 363.396 3.307 20 0 FGADHM O=C(Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)c1cscn1 ZINC000738173507 598555784 /nfs/dbraw/zinc/55/57/84/598555784.db2.gz SAUGUSCWSUEOHP-UHFFFAOYSA-N -1 3 364.390 3.368 20 0 FGADHM O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)c1cscn1 ZINC000738173507 598555785 /nfs/dbraw/zinc/55/57/85/598555785.db2.gz SAUGUSCWSUEOHP-UHFFFAOYSA-N -1 3 364.390 3.368 20 0 FGADHM CCCCN(CC)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000736456900 598560588 /nfs/dbraw/zinc/56/05/88/598560588.db2.gz MMPNDEOMOPSONF-UHFFFAOYSA-N -1 3 354.361 3.122 20 0 FGADHM CCCCN(CC)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000736456900 598560589 /nfs/dbraw/zinc/56/05/89/598560589.db2.gz MMPNDEOMOPSONF-UHFFFAOYSA-N -1 3 354.361 3.122 20 0 FGADHM CC(C)CNC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735836221 598563420 /nfs/dbraw/zinc/56/34/20/598563420.db2.gz VZTWFXVUNPOQEK-UHFFFAOYSA-N -1 3 352.398 3.437 20 0 FGADHM CC(C)CNC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735836221 598563422 /nfs/dbraw/zinc/56/34/22/598563422.db2.gz VZTWFXVUNPOQEK-UHFFFAOYSA-N -1 3 352.398 3.437 20 0 FGADHM Cc1ccc(C)c(OC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737326533 598570709 /nfs/dbraw/zinc/57/07/09/598570709.db2.gz PSEUBJHEHZLWCB-KRWDZBQOSA-N -1 3 363.421 3.058 20 0 FGADHM CCCCN(C)c1ccc(C(=O)Nc2ccccc2-c2nnn[n-]2)cc1 ZINC000736453544 598572000 /nfs/dbraw/zinc/57/20/00/598572000.db2.gz QEOTZVAHLYEIFS-UHFFFAOYSA-N -1 3 350.426 3.355 20 0 FGADHM CCCCN(C)c1ccc(C(=O)Nc2ccccc2-c2nn[n-]n2)cc1 ZINC000736453544 598572001 /nfs/dbraw/zinc/57/20/01/598572001.db2.gz QEOTZVAHLYEIFS-UHFFFAOYSA-N -1 3 350.426 3.355 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1Oc1ccc(Nc2ncccn2)cc1 ZINC000737033529 598581594 /nfs/dbraw/zinc/58/15/94/598581594.db2.gz YYBHSCCGLQBURS-UHFFFAOYSA-N -1 3 361.365 3.201 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1Oc1ccc(Nc2ncccn2)cc1 ZINC000737033529 598581596 /nfs/dbraw/zinc/58/15/96/598581596.db2.gz YYBHSCCGLQBURS-UHFFFAOYSA-N -1 3 361.365 3.201 20 0 FGADHM Cc1ccccc1CC(C)(C)NC(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000737425683 598582880 /nfs/dbraw/zinc/58/28/80/598582880.db2.gz DBQMUMBETZQFQE-UHFFFAOYSA-N -1 3 366.494 3.483 20 0 FGADHM Cc1ccccc1CC(C)(C)NC(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000737425683 598582882 /nfs/dbraw/zinc/58/28/82/598582882.db2.gz DBQMUMBETZQFQE-UHFFFAOYSA-N -1 3 366.494 3.483 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1cc(-c2cccc(F)c2)no1 ZINC000738166708 598586773 /nfs/dbraw/zinc/58/67/73/598586773.db2.gz LWMFKJQZSMVICB-UHFFFAOYSA-N -1 3 368.303 3.052 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1cc(-c2cccc(F)c2)no1 ZINC000738166708 598586775 /nfs/dbraw/zinc/58/67/75/598586775.db2.gz LWMFKJQZSMVICB-UHFFFAOYSA-N -1 3 368.303 3.052 20 0 FGADHM O=C(N[C@@H]1CCCC[C@@H]1Cc1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000738026687 598609779 /nfs/dbraw/zinc/60/97/79/598609779.db2.gz UJBRYVXFOYDFEZ-VQIMIIECSA-N -1 3 361.449 3.398 20 0 FGADHM O=C(N[C@@H]1CCCC[C@@H]1Cc1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000738026687 598609781 /nfs/dbraw/zinc/60/97/81/598609781.db2.gz UJBRYVXFOYDFEZ-VQIMIIECSA-N -1 3 361.449 3.398 20 0 FGADHM Clc1ccccc1Cc1noc(Cc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000737584968 598610125 /nfs/dbraw/zinc/61/01/25/598610125.db2.gz VBXQWRWAXAYLKY-UHFFFAOYSA-N -1 3 352.785 3.085 20 0 FGADHM Clc1ccccc1Cc1noc(Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737584968 598610127 /nfs/dbraw/zinc/61/01/27/598610127.db2.gz VBXQWRWAXAYLKY-UHFFFAOYSA-N -1 3 352.785 3.085 20 0 FGADHM CC(C)Cc1noc(-c2ccc(COc3ccccc3-c3nnn[n-]3)o2)n1 ZINC000735850338 598610711 /nfs/dbraw/zinc/61/07/11/598610711.db2.gz BZTQUMLIWWSUGW-UHFFFAOYSA-N -1 3 366.381 3.287 20 0 FGADHM CC(C)Cc1noc(-c2ccc(COc3ccccc3-c3nn[n-]n3)o2)n1 ZINC000735850338 598610713 /nfs/dbraw/zinc/61/07/13/598610713.db2.gz BZTQUMLIWWSUGW-UHFFFAOYSA-N -1 3 366.381 3.287 20 0 FGADHM C[C@@H](NC(=O)c1ccc(-c2ccccc2)[nH]1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736117850 598616418 /nfs/dbraw/zinc/61/64/18/598616418.db2.gz HEJHQHPPXIFNLP-CYBMUJFWSA-N -1 3 358.405 3.353 20 0 FGADHM C[C@@H](NC(=O)c1ccc(-c2ccccc2)[nH]1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736117850 598616420 /nfs/dbraw/zinc/61/64/20/598616420.db2.gz HEJHQHPPXIFNLP-CYBMUJFWSA-N -1 3 358.405 3.353 20 0 FGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@@H]1C1CCC1 ZINC000735659522 598616884 /nfs/dbraw/zinc/61/68/84/598616884.db2.gz BPPLDNHWFUEBAB-CQSZACIVSA-N -1 3 357.462 3.220 20 0 FGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@@H]1C1CCC1 ZINC000735659522 598616885 /nfs/dbraw/zinc/61/68/85/598616885.db2.gz BPPLDNHWFUEBAB-CQSZACIVSA-N -1 3 357.462 3.220 20 0 FGADHM CCC[C@@H]1CCCC[C@@H]1NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC000736437712 598622553 /nfs/dbraw/zinc/62/25/53/598622553.db2.gz WUGQUMBTPPIMGN-OCCSQVGLSA-N -1 3 358.446 3.356 20 0 FGADHM CCC[C@@H]1CCCC[C@@H]1NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC000736437712 598622554 /nfs/dbraw/zinc/62/25/54/598622554.db2.gz WUGQUMBTPPIMGN-OCCSQVGLSA-N -1 3 358.446 3.356 20 0 FGADHM Cc1ccc2c(c1C)OC[C@@H]2NC(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000737293295 598623786 /nfs/dbraw/zinc/62/37/86/598623786.db2.gz ALMVPYHDMFNDAT-INIZCTEOSA-N -1 3 364.409 3.047 20 0 FGADHM Cc1ccc2c(c1C)OC[C@@H]2NC(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000737293295 598623788 /nfs/dbraw/zinc/62/37/88/598623788.db2.gz ALMVPYHDMFNDAT-INIZCTEOSA-N -1 3 364.409 3.047 20 0 FGADHM COc1ccc(F)cc1[C@H](C)NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737100232 598629568 /nfs/dbraw/zinc/62/95/68/598629568.db2.gz SXXPVCDAZIQTRQ-VIFPVBQESA-N -1 3 374.351 3.036 20 0 FGADHM COc1ccc(F)cc1[C@H](C)NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737100232 598629570 /nfs/dbraw/zinc/62/95/70/598629570.db2.gz SXXPVCDAZIQTRQ-VIFPVBQESA-N -1 3 374.351 3.036 20 0 FGADHM Clc1ccc(-c2nnn[n-]2)c(NCc2ccc(Cn3cccn3)cc2)c1 ZINC000737571009 598633807 /nfs/dbraw/zinc/63/38/07/598633807.db2.gz POMOVIUPJLDNGH-UHFFFAOYSA-N -1 3 365.828 3.377 20 0 FGADHM Clc1ccc(-c2nn[n-]n2)c(NCc2ccc(Cn3cccn3)cc2)c1 ZINC000737571009 598633809 /nfs/dbraw/zinc/63/38/09/598633809.db2.gz POMOVIUPJLDNGH-UHFFFAOYSA-N -1 3 365.828 3.377 20 0 FGADHM COc1ccc(C[C@@H](C)OC(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000737087359 598641963 /nfs/dbraw/zinc/64/19/63/598641963.db2.gz MYWCZCULCYQHTN-FWLQQBITSA-N -1 3 364.405 3.063 20 0 FGADHM COc1ccc(C[C@@H](C)OC(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000737087359 598641964 /nfs/dbraw/zinc/64/19/64/598641964.db2.gz MYWCZCULCYQHTN-FWLQQBITSA-N -1 3 364.405 3.063 20 0 FGADHM O=C(O[C@@H](c1ccccc1)c1cccnc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738214451 598642390 /nfs/dbraw/zinc/64/23/90/598642390.db2.gz MXJRVZQSFVEQMP-SFHVURJKSA-N -1 3 357.373 3.208 20 0 FGADHM O=C(O[C@@H](c1ccccc1)c1cccnc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738214451 598642393 /nfs/dbraw/zinc/64/23/93/598642393.db2.gz MXJRVZQSFVEQMP-SFHVURJKSA-N -1 3 357.373 3.208 20 0 FGADHM Cc1ccc(C(C)(C)CNC(=S)Nc2ccccc2-c2nnn[n-]2)cc1 ZINC000737316444 598646107 /nfs/dbraw/zinc/64/61/07/598646107.db2.gz BXPURUKGDGQHCH-UHFFFAOYSA-N -1 3 366.494 3.439 20 0 FGADHM Cc1ccc(C(C)(C)CNC(=S)Nc2ccccc2-c2nn[n-]n2)cc1 ZINC000737316444 598646109 /nfs/dbraw/zinc/64/61/09/598646109.db2.gz BXPURUKGDGQHCH-UHFFFAOYSA-N -1 3 366.494 3.439 20 0 FGADHM CCc1ccc(CN(C)C(=O)CSc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736693077 598648486 /nfs/dbraw/zinc/64/84/86/598648486.db2.gz WMBVRAWCPPAGIM-UHFFFAOYSA-N -1 3 367.478 3.180 20 0 FGADHM CCc1ccc(CN(C)C(=O)CSc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736693077 598648487 /nfs/dbraw/zinc/64/84/87/598648487.db2.gz WMBVRAWCPPAGIM-UHFFFAOYSA-N -1 3 367.478 3.180 20 0 FGADHM C[C@@H]1CN(C(=O)CSc2ccc(-c3nnn[n-]3)cc2)Cc2ccccc21 ZINC000736279326 598648617 /nfs/dbraw/zinc/64/86/17/598648617.db2.gz JGPVXVSDZKRHLO-CYBMUJFWSA-N -1 3 365.462 3.105 20 0 FGADHM C[C@@H]1CN(C(=O)CSc2ccc(-c3nn[n-]n3)cc2)Cc2ccccc21 ZINC000736279326 598648619 /nfs/dbraw/zinc/64/86/19/598648619.db2.gz JGPVXVSDZKRHLO-CYBMUJFWSA-N -1 3 365.462 3.105 20 0 FGADHM C[C@H]1CCC[C@@H](N(C)C(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)C1 ZINC000736250813 598649980 /nfs/dbraw/zinc/64/99/80/598649980.db2.gz MZTWMZLALHMCOU-DOTOQJQBSA-N -1 3 371.485 3.453 20 0 FGADHM C[C@H]1CCC[C@@H](N(C)C(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)C1 ZINC000736250813 598649981 /nfs/dbraw/zinc/64/99/81/598649981.db2.gz MZTWMZLALHMCOU-DOTOQJQBSA-N -1 3 371.485 3.453 20 0 FGADHM C[C@H](c1ccco1)N(C)C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736200812 598649999 /nfs/dbraw/zinc/64/99/99/598649999.db2.gz CJCFFCWJRLENDJ-CQSZACIVSA-N -1 3 369.425 3.228 20 0 FGADHM C[C@H](c1ccco1)N(C)C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736200812 598650000 /nfs/dbraw/zinc/65/00/00/598650000.db2.gz CJCFFCWJRLENDJ-CQSZACIVSA-N -1 3 369.425 3.228 20 0 FGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N1CCCc2ccc(F)cc21 ZINC000737942698 598654491 /nfs/dbraw/zinc/65/44/91/598654491.db2.gz OBNFORILICKKLS-UHFFFAOYSA-N -1 3 369.425 3.077 20 0 FGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N1CCCc2ccc(F)cc21 ZINC000737942698 598654492 /nfs/dbraw/zinc/65/44/92/598654492.db2.gz OBNFORILICKKLS-UHFFFAOYSA-N -1 3 369.425 3.077 20 0 FGADHM CC[C@H](NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1)C(C)C ZINC000736363894 598654493 /nfs/dbraw/zinc/65/44/93/598654493.db2.gz OXCAGBYUQRUWOI-INIZCTEOSA-N -1 3 366.425 3.218 20 0 FGADHM CC[C@H](NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1)C(C)C ZINC000736363894 598654495 /nfs/dbraw/zinc/65/44/95/598654495.db2.gz OXCAGBYUQRUWOI-INIZCTEOSA-N -1 3 366.425 3.218 20 0 FGADHM CC[C@@H](Cc1ccccc1)NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736352638 598657794 /nfs/dbraw/zinc/65/77/94/598657794.db2.gz UJICYVLFKAKANU-INIZCTEOSA-N -1 3 367.478 3.096 20 0 FGADHM CC[C@@H](Cc1ccccc1)NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736352638 598657796 /nfs/dbraw/zinc/65/77/96/598657796.db2.gz UJICYVLFKAKANU-INIZCTEOSA-N -1 3 367.478 3.096 20 0 FGADHM CCC[C@H]1CCCC[C@@H]1NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736437603 598659848 /nfs/dbraw/zinc/65/98/48/598659848.db2.gz VUEBVJNUYYMBSE-BBRMVZONSA-N -1 3 359.499 3.434 20 0 FGADHM CCC[C@H]1CCCC[C@@H]1NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736437603 598659849 /nfs/dbraw/zinc/65/98/49/598659849.db2.gz VUEBVJNUYYMBSE-BBRMVZONSA-N -1 3 359.499 3.434 20 0 FGADHM Clc1cc(NCc2ccc3c(c2)OCCCO3)ccc1-c1nnn[n-]1 ZINC000737566532 598671057 /nfs/dbraw/zinc/67/10/57/598671057.db2.gz UQTJDFQZZYLIOJ-UHFFFAOYSA-N -1 3 357.801 3.294 20 0 FGADHM Clc1cc(NCc2ccc3c(c2)OCCCO3)ccc1-c1nn[n-]n1 ZINC000737566532 598671060 /nfs/dbraw/zinc/67/10/60/598671060.db2.gz UQTJDFQZZYLIOJ-UHFFFAOYSA-N -1 3 357.801 3.294 20 0 FGADHM O=C(C1CCC1)N(CCCNc1ccc(-c2nnn[n-]2)c(Cl)c1)C1CC1 ZINC000737786930 598674426 /nfs/dbraw/zinc/67/44/26/598674426.db2.gz VSYNHHJDVPPIJZ-UHFFFAOYSA-N -1 3 374.876 3.113 20 0 FGADHM O=C(C1CCC1)N(CCCNc1ccc(-c2nn[n-]n2)c(Cl)c1)C1CC1 ZINC000737786930 598674427 /nfs/dbraw/zinc/67/44/27/598674427.db2.gz VSYNHHJDVPPIJZ-UHFFFAOYSA-N -1 3 374.876 3.113 20 0 FGADHM CC(C)[C@H]1CCCN1C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000735747674 598684498 /nfs/dbraw/zinc/68/44/98/598684498.db2.gz FRFUFCGXZAVAOU-QGZVFWFLSA-N -1 3 357.458 3.063 20 0 FGADHM CC(C)[C@H]1CCCN1C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000735747674 598684499 /nfs/dbraw/zinc/68/44/99/598684499.db2.gz FRFUFCGXZAVAOU-QGZVFWFLSA-N -1 3 357.458 3.063 20 0 FGADHM Cc1cc(N[C@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)ccc1F ZINC000737273628 598695013 /nfs/dbraw/zinc/69/50/13/598695013.db2.gz HKGQZCZSDFMLLC-SNVBAGLBSA-N -1 3 374.807 3.407 20 0 FGADHM Cc1cc(N[C@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)ccc1F ZINC000737273628 598695015 /nfs/dbraw/zinc/69/50/15/598695015.db2.gz HKGQZCZSDFMLLC-SNVBAGLBSA-N -1 3 374.807 3.407 20 0 FGADHM O=C(/C=C/Sc1ccccc1)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737794177 598704962 /nfs/dbraw/zinc/70/49/62/598704962.db2.gz BUKFJPVZOWGVEJ-CMDGGOBGSA-N -1 3 356.382 3.355 20 0 FGADHM O=C(/C=C/Sc1ccccc1)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737794177 598704963 /nfs/dbraw/zinc/70/49/63/598704963.db2.gz BUKFJPVZOWGVEJ-CMDGGOBGSA-N -1 3 356.382 3.355 20 0 FGADHM C[C@H](NC(=O)N[C@H]1c2ccccc2C[C@@H]1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736115088 598716247 /nfs/dbraw/zinc/71/62/47/598716247.db2.gz WQMBKXPLLCERHQ-ZJNRKIDTSA-N -1 3 362.437 3.160 20 0 FGADHM C[C@H](NC(=O)N[C@H]1c2ccccc2C[C@@H]1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736115088 598716250 /nfs/dbraw/zinc/71/62/50/598716250.db2.gz WQMBKXPLLCERHQ-ZJNRKIDTSA-N -1 3 362.437 3.160 20 0 FGADHM COc1cccc(-c2nnc(SCc3cccc(-c4nnn[n-]4)c3)o2)c1 ZINC000737120442 598729270 /nfs/dbraw/zinc/72/92/70/598729270.db2.gz AJLZWXZJJZOMNJ-UHFFFAOYSA-N -1 3 366.406 3.218 20 0 FGADHM COc1cccc(-c2nnc(SCc3cccc(-c4nn[n-]n4)c3)o2)c1 ZINC000737120442 598729271 /nfs/dbraw/zinc/72/92/71/598729271.db2.gz AJLZWXZJJZOMNJ-UHFFFAOYSA-N -1 3 366.406 3.218 20 0 FGADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)CCc1ccccc1C ZINC000737025823 598735069 /nfs/dbraw/zinc/73/50/69/598735069.db2.gz NUYOJNZTIRGFBJ-UHFFFAOYSA-N -1 3 372.812 3.375 20 0 FGADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)CCc1ccccc1C ZINC000737025823 598735070 /nfs/dbraw/zinc/73/50/70/598735070.db2.gz NUYOJNZTIRGFBJ-UHFFFAOYSA-N -1 3 372.812 3.375 20 0 FGADHM Cn1ncc2c1CCC[C@@H]2Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000737626399 598744695 /nfs/dbraw/zinc/74/46/95/598744695.db2.gz BOWJHWIKWGOCSB-ZDUSSCGKSA-N -1 3 363.347 3.109 20 0 FGADHM Cn1ncc2c1CCC[C@@H]2Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000737626399 598744697 /nfs/dbraw/zinc/74/46/97/598744697.db2.gz BOWJHWIKWGOCSB-ZDUSSCGKSA-N -1 3 363.347 3.109 20 0 FGADHM Clc1cc(-c2nnn[n-]2)cnc1NCc1ccccc1N1CCCC1 ZINC000737557985 598744729 /nfs/dbraw/zinc/74/47/29/598744729.db2.gz ICJDBGPVCCKRNP-UHFFFAOYSA-N -1 3 355.833 3.127 20 0 FGADHM Clc1cc(-c2nn[n-]n2)cnc1NCc1ccccc1N1CCCC1 ZINC000737557985 598744731 /nfs/dbraw/zinc/74/47/31/598744731.db2.gz ICJDBGPVCCKRNP-UHFFFAOYSA-N -1 3 355.833 3.127 20 0 FGADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OC[C@H](C)C(F)(F)F ZINC000824207078 607366108 /nfs/dbraw/zinc/36/61/08/607366108.db2.gz PHGHYCLIWLYMBJ-GWCFXTLKSA-N -1 3 372.347 3.012 20 0 FGADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)OC[C@H](C)C(F)(F)F ZINC000824207078 607366110 /nfs/dbraw/zinc/36/61/10/607366110.db2.gz PHGHYCLIWLYMBJ-GWCFXTLKSA-N -1 3 372.347 3.012 20 0 FGADHM Cc1ccccc1[C@H](NC(=O)CCc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000737424730 598764699 /nfs/dbraw/zinc/76/46/99/598764699.db2.gz WZHOISOLTNSXBH-HXUWFJFHSA-N -1 3 361.449 3.375 20 0 FGADHM Cc1ccccc1[C@H](NC(=O)CCc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000737424730 598764701 /nfs/dbraw/zinc/76/47/01/598764701.db2.gz WZHOISOLTNSXBH-HXUWFJFHSA-N -1 3 361.449 3.375 20 0 FGADHM Fc1cc(F)c2ncc(-c3nnn[n-]3)c(NCCc3ccccc3F)c2c1 ZINC000737654291 598771181 /nfs/dbraw/zinc/77/11/81/598771181.db2.gz ZEBMGPSTWJLGAS-UHFFFAOYSA-N -1 3 370.338 3.487 20 0 FGADHM Fc1cc(F)c2ncc(-c3nn[n-]n3)c(NCCc3ccccc3F)c2c1 ZINC000737654291 598771183 /nfs/dbraw/zinc/77/11/83/598771183.db2.gz ZEBMGPSTWJLGAS-UHFFFAOYSA-N -1 3 370.338 3.487 20 0 FGADHM CC[C@H](C)OC(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000736327174 598785119 /nfs/dbraw/zinc/78/51/19/598785119.db2.gz PDDYPWIMTFIVBO-ZDUSSCGKSA-N -1 3 352.394 3.401 20 0 FGADHM CC[C@H](C)OC(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000736327174 598785120 /nfs/dbraw/zinc/78/51/20/598785120.db2.gz PDDYPWIMTFIVBO-ZDUSSCGKSA-N -1 3 352.394 3.401 20 0 FGADHM CCN(C(=O)CO[C@@H]1CCC[C@H](C)C1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736505001 598790398 /nfs/dbraw/zinc/79/03/98/598790398.db2.gz KAWQCVPZZQAMIN-RLFYNMQTSA-N -1 3 371.485 3.372 20 0 FGADHM CCN(C(=O)CO[C@@H]1CCC[C@H](C)C1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736505001 598790399 /nfs/dbraw/zinc/79/03/99/598790399.db2.gz KAWQCVPZZQAMIN-RLFYNMQTSA-N -1 3 371.485 3.372 20 0 FGADHM O[C@@H](CNc1ccc(Cl)cc1-c1nnn[n-]1)c1cccc(Cl)c1 ZINC000738380974 598793640 /nfs/dbraw/zinc/79/36/40/598793640.db2.gz FEVDZWFNHOIATL-AWEZNQCLSA-N -1 3 350.209 3.319 20 0 FGADHM O[C@@H](CNc1ccc(Cl)cc1-c1nn[n-]n1)c1cccc(Cl)c1 ZINC000738380974 598793643 /nfs/dbraw/zinc/79/36/43/598793643.db2.gz FEVDZWFNHOIATL-AWEZNQCLSA-N -1 3 350.209 3.319 20 0 FGADHM CN(Cc1ccn(-c2ccccc2)n1)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000736830332 598794474 /nfs/dbraw/zinc/79/44/74/598794474.db2.gz VMWVPEZDZZEFEF-UHFFFAOYSA-N -1 3 365.828 3.342 20 0 FGADHM CN(Cc1ccn(-c2ccccc2)n1)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000736830332 598794476 /nfs/dbraw/zinc/79/44/76/598794476.db2.gz VMWVPEZDZZEFEF-UHFFFAOYSA-N -1 3 365.828 3.342 20 0 FGADHM Cc1nc2c(s1)[C@@H](OC(=O)CCc1ccc(-c3nnn[n-]3)cc1)CCC2 ZINC000737487879 598802013 /nfs/dbraw/zinc/80/20/13/598802013.db2.gz LBHJTPPYFUEDEZ-HNNXBMFYSA-N -1 3 369.450 3.185 20 0 FGADHM Cc1nc2c(s1)[C@@H](OC(=O)CCc1ccc(-c3nn[n-]n3)cc1)CCC2 ZINC000737487879 598802014 /nfs/dbraw/zinc/80/20/14/598802014.db2.gz LBHJTPPYFUEDEZ-HNNXBMFYSA-N -1 3 369.450 3.185 20 0 FGADHM CC(C)[C@@H](C)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000735701725 598803718 /nfs/dbraw/zinc/80/37/18/598803718.db2.gz KTFAXMOCEQPUCW-GFCCVEGCSA-N -1 3 352.398 3.285 20 0 FGADHM CC(C)[C@@H](C)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000735701725 598803719 /nfs/dbraw/zinc/80/37/19/598803719.db2.gz KTFAXMOCEQPUCW-GFCCVEGCSA-N -1 3 352.398 3.285 20 0 FGADHM CCc1c(C)sc(NC(=O)CO[C@@H]2CCCC[C@H]2C)c1-c1nnn[n-]1 ZINC000736670407 598805453 /nfs/dbraw/zinc/80/54/53/598805453.db2.gz OXLGDOUTFWZADB-ZWNOBZJWSA-N -1 3 363.487 3.333 20 0 FGADHM CCc1c(C)sc(NC(=O)CO[C@@H]2CCCC[C@H]2C)c1-c1nn[n-]n1 ZINC000736670407 598805454 /nfs/dbraw/zinc/80/54/54/598805454.db2.gz OXLGDOUTFWZADB-ZWNOBZJWSA-N -1 3 363.487 3.333 20 0 FGADHM CCN(C(=O)C[C@H](C)n1cccc1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736501184 598808443 /nfs/dbraw/zinc/80/84/43/598808443.db2.gz AFHQOWNMKSLSBY-GJZGRUSLSA-N -1 3 352.442 3.229 20 0 FGADHM CCN(C(=O)C[C@H](C)n1cccc1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736501184 598808444 /nfs/dbraw/zinc/80/84/44/598808444.db2.gz AFHQOWNMKSLSBY-GJZGRUSLSA-N -1 3 352.442 3.229 20 0 FGADHM CC[C@@H](C)[C@H](C)NC(=O)c1cc(C2CC2)nc(SC)c1-c1nnn[n-]1 ZINC000736326097 598810225 /nfs/dbraw/zinc/81/02/25/598810225.db2.gz BIYIFZPYBCPBLL-ZJUUUORDSA-N -1 3 360.487 3.025 20 0 FGADHM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)Nc1ccc2[nH]ccc2c1 ZINC000737931597 598811231 /nfs/dbraw/zinc/81/12/31/598811231.db2.gz IEVQGAIZBYUSIG-UHFFFAOYSA-N -1 3 364.434 3.220 20 0 FGADHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)Nc1ccc2[nH]ccc2c1 ZINC000737931597 598811233 /nfs/dbraw/zinc/81/12/33/598811233.db2.gz IEVQGAIZBYUSIG-UHFFFAOYSA-N -1 3 364.434 3.220 20 0 FGADHM CC[C@@H](CC(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1)C(C)C ZINC000736331084 598821141 /nfs/dbraw/zinc/82/11/41/598821141.db2.gz HWJVOANCGYQZQV-HNNXBMFYSA-N -1 3 371.485 3.309 20 0 FGADHM CC(C)(C)[C@H]1OCCC[C@H]1CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC000735597168 599305006 /nfs/dbraw/zinc/30/50/06/599305006.db2.gz MVCPUXASBJCJDO-GWCFXTLKSA-N -1 3 350.854 3.168 20 0 FGADHM CC(C)(C)[C@H]1OCCC[C@H]1CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC000735597168 599305009 /nfs/dbraw/zinc/30/50/09/599305009.db2.gz MVCPUXASBJCJDO-GWCFXTLKSA-N -1 3 350.854 3.168 20 0 FGADHM Cc1ccc(C)c(SCC(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737325661 599306056 /nfs/dbraw/zinc/30/60/56/599306056.db2.gz GFFDXCAQCRQTGN-UHFFFAOYSA-N -1 3 353.451 3.239 20 0 FGADHM Cc1ccc(C)c(SCC(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737325661 599306058 /nfs/dbraw/zinc/30/60/58/599306058.db2.gz GFFDXCAQCRQTGN-UHFFFAOYSA-N -1 3 353.451 3.239 20 0 FGADHM CC(C)CO[C@H](C)c1noc(CSc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000820096709 599307856 /nfs/dbraw/zinc/30/78/56/599307856.db2.gz GGGZQDMBNUPRPH-LLVKDONJSA-N -1 3 360.443 3.276 20 0 FGADHM CC(C)CO[C@H](C)c1noc(CSc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000820096709 599307859 /nfs/dbraw/zinc/30/78/59/599307859.db2.gz GGGZQDMBNUPRPH-LLVKDONJSA-N -1 3 360.443 3.276 20 0 FGADHM C[C@H](NC(=O)[C@H]1C[C@]12CCCc1ccccc12)c1ccc(-c2nnn[n-]2)cc1 ZINC000820321608 599310713 /nfs/dbraw/zinc/31/07/13/599310713.db2.gz JLDUOEVHVDSQRL-BANJIEJESA-N -1 3 373.460 3.338 20 0 FGADHM C[C@H](NC(=O)[C@H]1C[C@]12CCCc1ccccc12)c1ccc(-c2nn[n-]n2)cc1 ZINC000820321608 599310716 /nfs/dbraw/zinc/31/07/16/599310716.db2.gz JLDUOEVHVDSQRL-BANJIEJESA-N -1 3 373.460 3.338 20 0 FGADHM CN(C(=O)c1cc2ccccc2c(Cl)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736750142 599311105 /nfs/dbraw/zinc/31/11/05/599311105.db2.gz TYQPRFPVXHEWIJ-UHFFFAOYSA-N -1 3 364.796 3.345 20 0 FGADHM CN(C(=O)c1cc2ccccc2c(Cl)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736750142 599311107 /nfs/dbraw/zinc/31/11/07/599311107.db2.gz TYQPRFPVXHEWIJ-UHFFFAOYSA-N -1 3 364.796 3.345 20 0 FGADHM C[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCO[C@@H](c2ccccc2F)C1 ZINC000736200016 599314531 /nfs/dbraw/zinc/31/45/31/599314531.db2.gz QSSIMHDICHYIDA-SCLBCKFNSA-N -1 3 353.401 3.140 20 0 FGADHM C[C@H](S[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCCCCC1 ZINC000736187918 599329143 /nfs/dbraw/zinc/32/91/43/599329143.db2.gz DERVYXPHJRVGIP-KBPBESRZSA-N -1 3 359.499 3.452 20 0 FGADHM C[C@H](S[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCCCCC1 ZINC000736187918 599329146 /nfs/dbraw/zinc/32/91/46/599329146.db2.gz DERVYXPHJRVGIP-KBPBESRZSA-N -1 3 359.499 3.452 20 0 FGADHM Cc1sc(NC(=O)CNc2cc(-c3nnn[n-]3)ccc2C)c(C)c1C ZINC000737297038 599329279 /nfs/dbraw/zinc/32/92/79/599329279.db2.gz RAOYNAYYJAJZTN-UHFFFAOYSA-N -1 3 356.455 3.212 20 0 FGADHM Cc1sc(NC(=O)CNc2cc(-c3nn[n-]n3)ccc2C)c(C)c1C ZINC000737297038 599329282 /nfs/dbraw/zinc/32/92/82/599329282.db2.gz RAOYNAYYJAJZTN-UHFFFAOYSA-N -1 3 356.455 3.212 20 0 FGADHM FC(F)(F)c1cc(NCc2noc3c2CCCC3)ccc1-c1nnn[n-]1 ZINC000737634131 599331383 /nfs/dbraw/zinc/33/13/83/599331383.db2.gz YKPODUPJWDZZFV-UHFFFAOYSA-N -1 3 364.331 3.364 20 0 FGADHM FC(F)(F)c1cc(NCc2noc3c2CCCC3)ccc1-c1nn[n-]n1 ZINC000737634131 599331386 /nfs/dbraw/zinc/33/13/86/599331386.db2.gz YKPODUPJWDZZFV-UHFFFAOYSA-N -1 3 364.331 3.364 20 0 FGADHM Cc1ccc(CNC(=O)CS[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737340803 599332388 /nfs/dbraw/zinc/33/23/88/599332388.db2.gz DBMKOHQBZLYJKA-AWEZNQCLSA-N -1 3 367.478 3.286 20 0 FGADHM Cc1ccc(CNC(=O)CS[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737340803 599332391 /nfs/dbraw/zinc/33/23/91/599332391.db2.gz DBMKOHQBZLYJKA-AWEZNQCLSA-N -1 3 367.478 3.286 20 0 FGADHM Cc1ccc(N2CC[C@@H](Sc3ccccc3-c3nnn[n-]3)C2=O)cc1 ZINC000822241229 599347821 /nfs/dbraw/zinc/34/78/21/599347821.db2.gz OYAGUYWKQWFSFG-MRXNPFEDSA-N -1 3 351.435 3.073 20 0 FGADHM Cc1ccc(N2CC[C@@H](Sc3ccccc3-c3nn[n-]n3)C2=O)cc1 ZINC000822241229 599347822 /nfs/dbraw/zinc/34/78/22/599347822.db2.gz OYAGUYWKQWFSFG-MRXNPFEDSA-N -1 3 351.435 3.073 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N[C@H]1CCc2c1cccc2O ZINC000738152487 599353399 /nfs/dbraw/zinc/35/33/99/599353399.db2.gz WEELYFZQCLSHJK-AWEZNQCLSA-N -1 3 370.800 3.035 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N[C@H]1CCc2c1cccc2O ZINC000738152487 599353403 /nfs/dbraw/zinc/35/34/03/599353403.db2.gz WEELYFZQCLSHJK-AWEZNQCLSA-N -1 3 370.800 3.035 20 0 FGADHM Fc1ccccc1CCNc1ccc(Br)cc1-c1nnn[n-]1 ZINC000737667640 599361930 /nfs/dbraw/zinc/36/19/30/599361930.db2.gz AYLQLXQDQJIHNF-UHFFFAOYSA-N -1 3 362.206 3.423 20 0 FGADHM Fc1ccccc1CCNc1ccc(Br)cc1-c1nn[n-]n1 ZINC000737667640 599361933 /nfs/dbraw/zinc/36/19/33/599361933.db2.gz AYLQLXQDQJIHNF-UHFFFAOYSA-N -1 3 362.206 3.423 20 0 FGADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCCC2)c1ccc(Cl)cn1 ZINC000738207864 599370701 /nfs/dbraw/zinc/37/07/01/599370701.db2.gz JGXSFNKNUAMUIL-UHFFFAOYSA-N -1 3 374.857 3.498 20 0 FGADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCCC2)c1ccc(Cl)cn1 ZINC000738207864 599370703 /nfs/dbraw/zinc/37/07/03/599370703.db2.gz JGXSFNKNUAMUIL-UHFFFAOYSA-N -1 3 374.857 3.498 20 0 FGADHM C[C@@H](NC(=O)CCc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1Cl ZINC000736104901 599377635 /nfs/dbraw/zinc/37/76/35/599377635.db2.gz JLJMBCUVUYROPW-LLVKDONJSA-N -1 3 373.819 3.469 20 0 FGADHM C[C@@H](NC(=O)CCc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1Cl ZINC000736104901 599377637 /nfs/dbraw/zinc/37/76/37/599377637.db2.gz JLJMBCUVUYROPW-LLVKDONJSA-N -1 3 373.819 3.469 20 0 FGADHM C[C@@H](NC(=O)c1sccc1-c1nnn[n-]1)c1ccc(F)cc1Cl ZINC000736125384 599377908 /nfs/dbraw/zinc/37/79/08/599377908.db2.gz JVNBKRPIZSBCIX-SSDOTTSWSA-N -1 3 351.794 3.212 20 0 FGADHM C[C@@H](NC(=O)c1sccc1-c1nn[n-]n1)c1ccc(F)cc1Cl ZINC000736125384 599377911 /nfs/dbraw/zinc/37/79/11/599377911.db2.gz JVNBKRPIZSBCIX-SSDOTTSWSA-N -1 3 351.794 3.212 20 0 FGADHM C[C@@H](Nc1ccc(O[C@H]2CCOC2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820454965 599377924 /nfs/dbraw/zinc/37/79/24/599377924.db2.gz AAOADZPNZZEBHQ-ACJLOTCBSA-N -1 3 351.410 3.208 20 0 FGADHM C[C@@H](Nc1ccc(O[C@H]2CCOC2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820454965 599377927 /nfs/dbraw/zinc/37/79/27/599377927.db2.gz AAOADZPNZZEBHQ-ACJLOTCBSA-N -1 3 351.410 3.208 20 0 FGADHM COc1ccc(OC)c(CNc2cc(-c3nnn[n-]3)c3ccccc3n2)c1 ZINC000737109265 599401748 /nfs/dbraw/zinc/40/17/48/599401748.db2.gz ICFHVWBFCRFZGV-UHFFFAOYSA-N -1 3 362.393 3.044 20 0 FGADHM COc1ccc(OC)c(CNc2cc(-c3nn[n-]n3)c3ccccc3n2)c1 ZINC000737109265 599401752 /nfs/dbraw/zinc/40/17/52/599401752.db2.gz ICFHVWBFCRFZGV-UHFFFAOYSA-N -1 3 362.393 3.044 20 0 FGADHM COCCOc1ccc(CNc2cc(Cl)ccc2-c2nnn[n-]2)cc1 ZINC000737013588 599406726 /nfs/dbraw/zinc/40/67/26/599406726.db2.gz AMQKCWRDMFGDPA-UHFFFAOYSA-N -1 3 359.817 3.157 20 0 FGADHM COCCOc1ccc(CNc2cc(Cl)ccc2-c2nn[n-]n2)cc1 ZINC000737013588 599406729 /nfs/dbraw/zinc/40/67/29/599406729.db2.gz AMQKCWRDMFGDPA-UHFFFAOYSA-N -1 3 359.817 3.157 20 0 FGADHM Cc1ccccc1NC(=O)CNc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000822361847 607375542 /nfs/dbraw/zinc/37/55/42/607375542.db2.gz IQPCEWWNXBEYAZ-UHFFFAOYSA-N -1 3 366.425 3.013 20 0 FGADHM Cc1ccccc1NC(=O)CNc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000822361847 607375544 /nfs/dbraw/zinc/37/55/44/607375544.db2.gz IQPCEWWNXBEYAZ-UHFFFAOYSA-N -1 3 366.425 3.013 20 0 FGADHM CCc1nc(CN(C)c2cc(-c3nnn[n-]3)c3ccccc3n2)cs1 ZINC000736704440 599418754 /nfs/dbraw/zinc/41/87/54/599418754.db2.gz NFGVBFZKVFPNML-UHFFFAOYSA-N -1 3 351.439 3.070 20 0 FGADHM CCc1nc(CN(C)c2cc(-c3nn[n-]n3)c3ccccc3n2)cs1 ZINC000736704440 599418757 /nfs/dbraw/zinc/41/87/57/599418757.db2.gz NFGVBFZKVFPNML-UHFFFAOYSA-N -1 3 351.439 3.070 20 0 FGADHM C[C@H](CCNC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000820240494 599427436 /nfs/dbraw/zinc/42/74/36/599427436.db2.gz BZCGKTYCMMGBNF-CABCVRRESA-N -1 3 364.453 3.421 20 0 FGADHM C[C@H](CCNC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000820240494 599427440 /nfs/dbraw/zinc/42/74/40/599427440.db2.gz BZCGKTYCMMGBNF-CABCVRRESA-N -1 3 364.453 3.421 20 0 FGADHM Cc1ccc(CC[C@@H](C)NC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)o1 ZINC000822235212 599457243 /nfs/dbraw/zinc/45/72/43/599457243.db2.gz XNKGPBHHRLRUBJ-TZMCWYRMSA-N -1 3 368.441 3.150 20 0 FGADHM Cc1ccc(CC[C@@H](C)NC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)o1 ZINC000822235212 599457246 /nfs/dbraw/zinc/45/72/46/599457246.db2.gz XNKGPBHHRLRUBJ-TZMCWYRMSA-N -1 3 368.441 3.150 20 0 FGADHM C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736056243 599467678 /nfs/dbraw/zinc/46/76/78/599467678.db2.gz MEMBNALVOZAVDC-GFCCVEGCSA-N -1 3 355.829 3.223 20 0 FGADHM C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736056243 599467679 /nfs/dbraw/zinc/46/76/79/599467679.db2.gz MEMBNALVOZAVDC-GFCCVEGCSA-N -1 3 355.829 3.223 20 0 FGADHM C[C@H](NC(=O)N1CCC[C@@H]1c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820348149 599470407 /nfs/dbraw/zinc/47/04/07/599470407.db2.gz AHCUIWPJHYFFDD-KBXCAEBGSA-N -1 3 362.437 3.474 20 0 FGADHM C[C@H](NC(=O)N1CCC[C@@H]1c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820348149 599470408 /nfs/dbraw/zinc/47/04/08/599470408.db2.gz AHCUIWPJHYFFDD-KBXCAEBGSA-N -1 3 362.437 3.474 20 0 FGADHM C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736234171 599470455 /nfs/dbraw/zinc/47/04/55/599470455.db2.gz IJFMLMRPFCNONN-WBMJQRKESA-N -1 3 351.385 3.024 20 0 FGADHM C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736234171 599470458 /nfs/dbraw/zinc/47/04/58/599470458.db2.gz IJFMLMRPFCNONN-WBMJQRKESA-N -1 3 351.385 3.024 20 0 FGADHM Fc1ccc(NCc2csc(Br)c2)c(-c2nnn[n-]2)c1 ZINC000822783134 599475573 /nfs/dbraw/zinc/47/55/73/599475573.db2.gz WQKKCROEZCDBLY-UHFFFAOYSA-N -1 3 354.208 3.442 20 0 FGADHM Fc1ccc(NCc2csc(Br)c2)c(-c2nn[n-]n2)c1 ZINC000822783134 599475574 /nfs/dbraw/zinc/47/55/74/599475574.db2.gz WQKKCROEZCDBLY-UHFFFAOYSA-N -1 3 354.208 3.442 20 0 FGADHM C[C@@H](Nc1ccc(F)cc1-c1nnn[n-]1)c1ccc2c(c1)CCC(=O)N2 ZINC000820457188 599479884 /nfs/dbraw/zinc/47/98/84/599479884.db2.gz YQNPLZHBLMBAKX-SNVBAGLBSA-N -1 3 352.373 3.064 20 0 FGADHM C[C@@H](Nc1ccc(F)cc1-c1nn[n-]n1)c1ccc2c(c1)CCC(=O)N2 ZINC000820457188 599479887 /nfs/dbraw/zinc/47/98/87/599479887.db2.gz YQNPLZHBLMBAKX-SNVBAGLBSA-N -1 3 352.373 3.064 20 0 FGADHM CCc1ccc(CN(C)C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821486283 599479877 /nfs/dbraw/zinc/47/98/77/599479877.db2.gz BHPYMFWCHBBQOU-CQSZACIVSA-N -1 3 364.453 3.332 20 0 FGADHM CCc1ccc(CN(C)C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821486283 599479880 /nfs/dbraw/zinc/47/98/80/599479880.db2.gz BHPYMFWCHBBQOU-CQSZACIVSA-N -1 3 364.453 3.332 20 0 FGADHM CCC(=O)Nc1cccc(CNc2c(Cl)cccc2-c2nnn[n-]2)c1 ZINC000820838654 599481486 /nfs/dbraw/zinc/48/14/86/599481486.db2.gz YYOVNMGHLYJZSD-UHFFFAOYSA-N -1 3 356.817 3.481 20 0 FGADHM CCC(=O)Nc1cccc(CNc2c(Cl)cccc2-c2nn[n-]n2)c1 ZINC000820838654 599481488 /nfs/dbraw/zinc/48/14/88/599481488.db2.gz YYOVNMGHLYJZSD-UHFFFAOYSA-N -1 3 356.817 3.481 20 0 FGADHM c1ccc(N2CCCN(c3c(-c4nnn[n-]4)cnc4ccccc43)CC2)cc1 ZINC000823788330 599489057 /nfs/dbraw/zinc/48/90/57/599489057.db2.gz ZHVFOOVVUXAYRF-UHFFFAOYSA-N -1 3 371.448 3.132 20 0 FGADHM c1ccc(N2CCCN(c3c(-c4nn[n-]n4)cnc4ccccc43)CC2)cc1 ZINC000823788330 599489058 /nfs/dbraw/zinc/48/90/58/599489058.db2.gz ZHVFOOVVUXAYRF-UHFFFAOYSA-N -1 3 371.448 3.132 20 0 FGADHM Cc1ccccc1C1(CNc2ccc(F)cc2-c2nnn[n-]2)CCOCC1 ZINC000822352022 599493507 /nfs/dbraw/zinc/49/35/07/599493507.db2.gz UHENTBYPLASYMZ-UHFFFAOYSA-N -1 3 367.428 3.475 20 0 FGADHM Cc1ccccc1C1(CNc2ccc(F)cc2-c2nn[n-]n2)CCOCC1 ZINC000822352022 599493509 /nfs/dbraw/zinc/49/35/09/599493509.db2.gz UHENTBYPLASYMZ-UHFFFAOYSA-N -1 3 367.428 3.475 20 0 FGADHM CCc1nc(CN(C)c2c(-c3nnn[n-]3)cnc3ccccc32)cs1 ZINC000821509729 599495155 /nfs/dbraw/zinc/49/51/55/599495155.db2.gz MHOFPVOCDNKEAL-UHFFFAOYSA-N -1 3 351.439 3.070 20 0 FGADHM CCc1nc(CN(C)c2c(-c3nn[n-]n3)cnc3ccccc32)cs1 ZINC000821509729 599495157 /nfs/dbraw/zinc/49/51/57/599495157.db2.gz MHOFPVOCDNKEAL-UHFFFAOYSA-N -1 3 351.439 3.070 20 0 FGADHM Cc1ccsc1CNc1c(-c2nnn[n-]2)cnc2c(C)cc(F)cc21 ZINC000822379612 599496298 /nfs/dbraw/zinc/49/62/98/599496298.db2.gz QYRIEKSOQHXIKL-UHFFFAOYSA-N -1 3 354.414 3.266 20 0 FGADHM Cc1ccsc1CNc1c(-c2nn[n-]n2)cnc2c(C)cc(F)cc21 ZINC000822379612 599496301 /nfs/dbraw/zinc/49/63/01/599496301.db2.gz QYRIEKSOQHXIKL-UHFFFAOYSA-N -1 3 354.414 3.266 20 0 FGADHM C[C@H](CCc1cccc(F)c1)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820254207 599498045 /nfs/dbraw/zinc/49/80/45/599498045.db2.gz NQRLTYYPAMIEQZ-ZIAGYGMSSA-N -1 3 367.428 3.452 20 0 FGADHM C[C@H](CCc1cccc(F)c1)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820254207 599498048 /nfs/dbraw/zinc/49/80/48/599498048.db2.gz NQRLTYYPAMIEQZ-ZIAGYGMSSA-N -1 3 367.428 3.452 20 0 FGADHM C[C@H](Oc1ccccc1Cl)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820549450 599500119 /nfs/dbraw/zinc/50/01/19/599500119.db2.gz MUPYQAOZSALEKN-RYUDHWBXSA-N -1 3 371.828 3.165 20 0 FGADHM C[C@H](Oc1ccccc1Cl)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820549450 599500123 /nfs/dbraw/zinc/50/01/23/599500123.db2.gz MUPYQAOZSALEKN-RYUDHWBXSA-N -1 3 371.828 3.165 20 0 FGADHM CCc1nc2ccccc2n1CCNc1ccc(F)cc1-c1nnn[n-]1 ZINC000821510322 599510951 /nfs/dbraw/zinc/51/09/51/599510951.db2.gz ZIKUIIIMNAYPRH-UHFFFAOYSA-N -1 3 351.389 3.030 20 0 FGADHM CCc1nc2ccccc2n1CCNc1ccc(F)cc1-c1nn[n-]n1 ZINC000821510322 599510953 /nfs/dbraw/zinc/51/09/53/599510953.db2.gz ZIKUIIIMNAYPRH-UHFFFAOYSA-N -1 3 351.389 3.030 20 0 FGADHM Fc1ccc(NCCCc2nc3c(s2)CCCC3)c(-c2nnn[n-]2)c1 ZINC000822778946 599520187 /nfs/dbraw/zinc/52/01/87/599520187.db2.gz PDZSGBRWRQNARK-UHFFFAOYSA-N -1 3 358.446 3.386 20 0 FGADHM Fc1ccc(NCCCc2nc3c(s2)CCCC3)c(-c2nn[n-]n2)c1 ZINC000822778946 599520190 /nfs/dbraw/zinc/52/01/90/599520190.db2.gz PDZSGBRWRQNARK-UHFFFAOYSA-N -1 3 358.446 3.386 20 0 FGADHM C[C@H](NC(=O)c1ccc(OC2CCC2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820396959 599522186 /nfs/dbraw/zinc/52/21/86/599522186.db2.gz KCOHTRLTOBKFIZ-ZDUSSCGKSA-N -1 3 363.421 3.289 20 0 FGADHM C[C@H](NC(=O)c1ccc(OC2CCC2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820396959 599522187 /nfs/dbraw/zinc/52/21/87/599522187.db2.gz KCOHTRLTOBKFIZ-ZDUSSCGKSA-N -1 3 363.421 3.289 20 0 FGADHM C[C@@H](CCc1ccccc1F)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820254197 599525639 /nfs/dbraw/zinc/52/56/39/599525639.db2.gz NPYPBZWBLUEMHT-KBPBESRZSA-N -1 3 367.428 3.452 20 0 FGADHM C[C@@H](CCc1ccccc1F)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820254197 599525641 /nfs/dbraw/zinc/52/56/41/599525641.db2.gz NPYPBZWBLUEMHT-KBPBESRZSA-N -1 3 367.428 3.452 20 0 FGADHM Cc1ccc(SCC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822267087 599532314 /nfs/dbraw/zinc/53/23/14/599532314.db2.gz OCLXNJDKTBMHBW-ZDUSSCGKSA-N -1 3 353.451 3.145 20 0 FGADHM Cc1ccc(SCC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822267087 599532316 /nfs/dbraw/zinc/53/23/16/599532316.db2.gz OCLXNJDKTBMHBW-ZDUSSCGKSA-N -1 3 353.451 3.145 20 0 FGADHM CCc1cccc2c(CC(=O)N[C@@H](C)c3cccc(-c4nnn[n-]4)c3)c[nH]c21 ZINC000821492532 599537344 /nfs/dbraw/zinc/53/73/44/599537344.db2.gz PUWQKZZKVVKQCR-ZDUSSCGKSA-N -1 3 374.448 3.330 20 0 FGADHM CCc1cccc2c(CC(=O)N[C@@H](C)c3cccc(-c4nn[n-]n4)c3)c[nH]c21 ZINC000821492532 599537347 /nfs/dbraw/zinc/53/73/47/599537347.db2.gz PUWQKZZKVVKQCR-ZDUSSCGKSA-N -1 3 374.448 3.330 20 0 FGADHM COc1ccc(CCCC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821790233 599545530 /nfs/dbraw/zinc/54/55/30/599545530.db2.gz KMKFGBOELQERTH-AWEZNQCLSA-N -1 3 365.437 3.075 20 0 FGADHM COc1ccc(CCCC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821790233 599545532 /nfs/dbraw/zinc/54/55/32/599545532.db2.gz KMKFGBOELQERTH-AWEZNQCLSA-N -1 3 365.437 3.075 20 0 FGADHM CCc1ccc([C@@H](C)CC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000736691891 599545757 /nfs/dbraw/zinc/54/57/57/599545757.db2.gz ZFBIHGKHOYJQDD-ZDUSSCGKSA-N -1 3 367.428 3.378 20 0 FGADHM CCc1ccc([C@@H](C)CC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000736691891 599545759 /nfs/dbraw/zinc/54/57/59/599545759.db2.gz ZFBIHGKHOYJQDD-ZDUSSCGKSA-N -1 3 367.428 3.378 20 0 FGADHM CCCO[C@H]1CCCN(c2c(-c3nnn[n-]3)cnc3ccccc32)CC1 ZINC000821127250 599546540 /nfs/dbraw/zinc/54/65/40/599546540.db2.gz DQFYSQMFHBSNCP-AWEZNQCLSA-N -1 3 352.442 3.200 20 0 FGADHM CCCO[C@H]1CCCN(c2c(-c3nn[n-]n3)cnc3ccccc32)CC1 ZINC000821127250 599546543 /nfs/dbraw/zinc/54/65/43/599546543.db2.gz DQFYSQMFHBSNCP-AWEZNQCLSA-N -1 3 352.442 3.200 20 0 FGADHM CC[C@H](C)[C@@H]1CCCCN1C(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000736330610 599548417 /nfs/dbraw/zinc/54/84/17/599548417.db2.gz MTRYZDHIUPFJHJ-DZKIICNBSA-N -1 3 357.458 3.061 20 0 FGADHM CC[C@H](C)[C@@H]1CCCCN1C(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000736330610 599548418 /nfs/dbraw/zinc/54/84/18/599548418.db2.gz MTRYZDHIUPFJHJ-DZKIICNBSA-N -1 3 357.458 3.061 20 0 FGADHM Cc1ccc([C@H](C)CNC(=O)CSc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737320529 599551189 /nfs/dbraw/zinc/55/11/89/599551189.db2.gz MGAJZBXZDUYCFV-CQSZACIVSA-N -1 3 367.478 3.187 20 0 FGADHM Cc1ccc([C@H](C)CNC(=O)CSc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737320529 599551191 /nfs/dbraw/zinc/55/11/91/599551191.db2.gz MGAJZBXZDUYCFV-CQSZACIVSA-N -1 3 367.478 3.187 20 0 FGADHM C[C@@H]1c2c(F)cccc2CCN1C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000736303161 599555346 /nfs/dbraw/zinc/55/53/46/599555346.db2.gz RZNRLIDZJLOPJS-WTNCMQEWSA-N -1 3 363.396 3.165 20 0 FGADHM C[C@@H]1c2c(F)cccc2CCN1C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000736303161 599555347 /nfs/dbraw/zinc/55/53/47/599555347.db2.gz RZNRLIDZJLOPJS-WTNCMQEWSA-N -1 3 363.396 3.165 20 0 FGADHM CCSCC[C@H](C)NC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000821461897 599555382 /nfs/dbraw/zinc/55/53/82/599555382.db2.gz VFMFLEHUXYBAKR-NSHDSACASA-N -1 3 365.507 3.076 20 0 FGADHM CCSCC[C@H](C)NC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000821461897 599555383 /nfs/dbraw/zinc/55/53/83/599555383.db2.gz VFMFLEHUXYBAKR-NSHDSACASA-N -1 3 365.507 3.076 20 0 FGADHM CCOC[C@@H]1CCCN(c2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)C1 ZINC000821367022 599557734 /nfs/dbraw/zinc/55/77/34/599557734.db2.gz ALGHLESLHCUBKQ-GFCCVEGCSA-N -1 3 372.860 3.321 20 0 FGADHM CCOC[C@@H]1CCCN(c2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)C1 ZINC000821367022 599557737 /nfs/dbraw/zinc/55/77/37/599557737.db2.gz ALGHLESLHCUBKQ-GFCCVEGCSA-N -1 3 372.860 3.321 20 0 FGADHM C[C@H](CNC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1)C1CC1 ZINC000736025306 599564045 /nfs/dbraw/zinc/56/40/45/599564045.db2.gz DWTNFHCMQBCCDY-CYBMUJFWSA-N -1 3 362.437 3.386 20 0 FGADHM c1ccc(OCC2CC2)c(CNc2c(-c3nnn[n-]3)cnc3ccccc32)c1 ZINC000823791647 599568749 /nfs/dbraw/zinc/56/87/49/599568749.db2.gz GYAMHSPHEZUYTP-UHFFFAOYSA-N -1 3 372.432 3.238 20 0 FGADHM c1ccc(OCC2CC2)c(CNc2c(-c3nn[n-]n3)cnc3ccccc32)c1 ZINC000823791647 599568752 /nfs/dbraw/zinc/56/87/52/599568752.db2.gz GYAMHSPHEZUYTP-UHFFFAOYSA-N -1 3 372.432 3.238 20 0 FGADHM O[C@@H](CNc1c(Cl)cccc1-c1nnn[n-]1)c1ccccc1Cl ZINC000823690415 599570310 /nfs/dbraw/zinc/57/03/10/599570310.db2.gz OJVFDPPTRYDURY-ZDUSSCGKSA-N -1 3 350.209 3.319 20 0 FGADHM O[C@@H](CNc1c(Cl)cccc1-c1nn[n-]n1)c1ccccc1Cl ZINC000823690415 599570312 /nfs/dbraw/zinc/57/03/12/599570312.db2.gz OJVFDPPTRYDURY-ZDUSSCGKSA-N -1 3 350.209 3.319 20 0 FGADHM Cc1cccc2c1CCCN2Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000822341092 599577273 /nfs/dbraw/zinc/57/72/73/599577273.db2.gz UMHVKDZPACAUDQ-UHFFFAOYSA-N -1 3 373.420 3.178 20 0 FGADHM Cc1cccc2c1CCCN2Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000822341092 599577276 /nfs/dbraw/zinc/57/72/76/599577276.db2.gz UMHVKDZPACAUDQ-UHFFFAOYSA-N -1 3 373.420 3.178 20 0 FGADHM Cc1cccc(C)c1CSCC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000737390821 599598708 /nfs/dbraw/zinc/59/87/08/599598708.db2.gz RYWOAHDGJCUIRN-UHFFFAOYSA-N -1 3 367.478 3.033 20 0 FGADHM Cc1cccc(C)c1CSCC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000737390821 599598709 /nfs/dbraw/zinc/59/87/09/599598709.db2.gz RYWOAHDGJCUIRN-UHFFFAOYSA-N -1 3 367.478 3.033 20 0 FGADHM Cc1ccc(C[C@H](C)N(C)C(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737334668 599600110 /nfs/dbraw/zinc/60/01/10/599600110.db2.gz LAFMUHGHZHKINH-AWEZNQCLSA-N -1 3 350.426 3.270 20 0 FGADHM Cc1ccc(C[C@H](C)N(C)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737334668 599600113 /nfs/dbraw/zinc/60/01/13/599600113.db2.gz LAFMUHGHZHKINH-AWEZNQCLSA-N -1 3 350.426 3.270 20 0 FGADHM Cc1ccc(C[C@@H](C)NC(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000737334372 599601733 /nfs/dbraw/zinc/60/17/33/599601733.db2.gz GQYYWNFOXIRAAM-DGCLKSJQSA-N -1 3 370.482 3.228 20 0 FGADHM Cc1ccc(C[C@@H](C)NC(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000737334372 599601735 /nfs/dbraw/zinc/60/17/35/599601735.db2.gz GQYYWNFOXIRAAM-DGCLKSJQSA-N -1 3 370.482 3.228 20 0 FGADHM C[C@@H](OC(=O)c1cnc2ccsc2c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820518845 599621634 /nfs/dbraw/zinc/62/16/34/599621634.db2.gz LVYPRBRFYFIBKK-SNVBAGLBSA-N -1 3 351.391 3.394 20 0 FGADHM C[C@@H](OC(=O)c1cnc2ccsc2c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820518845 599621635 /nfs/dbraw/zinc/62/16/35/599621635.db2.gz LVYPRBRFYFIBKK-SNVBAGLBSA-N -1 3 351.391 3.394 20 0 FGADHM CN(C(=O)c1ccc(OC2CCC2)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000821574707 599630727 /nfs/dbraw/zinc/63/07/27/599630727.db2.gz SVKOULNFOKFLCW-UHFFFAOYSA-N -1 3 367.384 3.214 20 0 FGADHM CN(C(=O)c1ccc(OC2CCC2)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000821574707 599630728 /nfs/dbraw/zinc/63/07/28/599630728.db2.gz SVKOULNFOKFLCW-UHFFFAOYSA-N -1 3 367.384 3.214 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1scnc1Cl ZINC000823303695 599633481 /nfs/dbraw/zinc/63/34/81/599633481.db2.gz RHDLRCXSGVCKPJ-UHFFFAOYSA-N -1 3 374.735 3.248 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1scnc1Cl ZINC000823303695 599633482 /nfs/dbraw/zinc/63/34/82/599633482.db2.gz RHDLRCXSGVCKPJ-UHFFFAOYSA-N -1 3 374.735 3.248 20 0 FGADHM CC(C)N(Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)c1ccccc1 ZINC000820120794 599636320 /nfs/dbraw/zinc/63/63/20/599636320.db2.gz JMNXTSZOPRNYJE-UHFFFAOYSA-N -1 3 361.409 3.332 20 0 FGADHM CC(C)N(Cc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)c1ccccc1 ZINC000820120794 599636321 /nfs/dbraw/zinc/63/63/21/599636321.db2.gz JMNXTSZOPRNYJE-UHFFFAOYSA-N -1 3 361.409 3.332 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCC(=O)c1ccc(C(C)C)cc1 ZINC000826252223 607386760 /nfs/dbraw/zinc/38/67/60/607386760.db2.gz UXRWHPURSZUEDI-UHFFFAOYSA-N -1 3 364.405 3.338 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCC(=O)c1ccc(C(C)C)cc1 ZINC000826252223 607386762 /nfs/dbraw/zinc/38/67/62/607386762.db2.gz UXRWHPURSZUEDI-UHFFFAOYSA-N -1 3 364.405 3.338 20 0 FGADHM COc1ccc(C2CCN(c3cccc(F)c3-c3nnn[n-]3)CC2)cc1 ZINC000821786311 599685855 /nfs/dbraw/zinc/68/58/55/599685855.db2.gz CVLYCCLDQZLQDA-UHFFFAOYSA-N -1 3 353.401 3.398 20 0 FGADHM COc1ccc(C2CCN(c3cccc(F)c3-c3nn[n-]n3)CC2)cc1 ZINC000821786311 599685856 /nfs/dbraw/zinc/68/58/56/599685856.db2.gz CVLYCCLDQZLQDA-UHFFFAOYSA-N -1 3 353.401 3.398 20 0 FGADHM Cc1ccccc1-c1noc([C@@H](C)Sc2cc(-c3nnn[n-]3)ccn2)n1 ZINC000822345750 599689962 /nfs/dbraw/zinc/68/99/62/599689962.db2.gz QMUXXUZMMDAIBH-LLVKDONJSA-N -1 3 365.422 3.473 20 0 FGADHM Cc1ccccc1-c1noc([C@@H](C)Sc2cc(-c3nn[n-]n3)ccn2)n1 ZINC000822345750 599689963 /nfs/dbraw/zinc/68/99/63/599689963.db2.gz QMUXXUZMMDAIBH-LLVKDONJSA-N -1 3 365.422 3.473 20 0 FGADHM CC(C)CN(C(=O)[C@@H](C)c1cccnc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820081300 599698125 /nfs/dbraw/zinc/69/81/25/599698125.db2.gz AWGBWFBNKFXEGZ-AWEZNQCLSA-N -1 3 350.426 3.054 20 0 FGADHM CC(C)CN(C(=O)[C@@H](C)c1cccnc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820081300 599698126 /nfs/dbraw/zinc/69/81/26/599698126.db2.gz AWGBWFBNKFXEGZ-AWEZNQCLSA-N -1 3 350.426 3.054 20 0 FGADHM Cc1ccc(NC(=O)NC[C@H]2CCCN(Cc3ccc(C(=O)[O-])o3)C2)cc1 ZINC000738624017 599772190 /nfs/dbraw/zinc/77/21/90/599772190.db2.gz BKNDLVAQMJZOFD-OAHLLOKOSA-N -1 3 371.437 3.320 20 0 FGADHM O=C(Nc1cccc2[nH]ccc21)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826457151 607393583 /nfs/dbraw/zinc/39/35/83/607393583.db2.gz NULVVZYYYKCRJN-UHFFFAOYSA-N -1 3 359.393 3.159 20 0 FGADHM O=C(Nc1cccc2[nH]ccc21)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826457151 607393585 /nfs/dbraw/zinc/39/35/85/607393585.db2.gz NULVVZYYYKCRJN-UHFFFAOYSA-N -1 3 359.393 3.159 20 0 FGADHM CC(C)Oc1ccc(NC(=O)[C@@H](C)c2cccs2)cc1-c1nnn[n-]1 ZINC000820161687 607396759 /nfs/dbraw/zinc/39/67/59/607396759.db2.gz ZRKANIUYWCQLTB-NSHDSACASA-N -1 3 357.439 3.458 20 0 FGADHM CC(C)Oc1ccc(NC(=O)[C@@H](C)c2cccs2)cc1-c1nn[n-]n1 ZINC000820161687 607396761 /nfs/dbraw/zinc/39/67/61/607396761.db2.gz ZRKANIUYWCQLTB-NSHDSACASA-N -1 3 357.439 3.458 20 0 FGADHM COc1ccc(C(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)cc1F ZINC000821772821 607397598 /nfs/dbraw/zinc/39/75/98/607397598.db2.gz REQYVUAOUASHAP-UHFFFAOYSA-N -1 3 371.372 3.054 20 0 FGADHM COc1ccc(C(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)cc1F ZINC000821772821 607397600 /nfs/dbraw/zinc/39/76/00/607397600.db2.gz REQYVUAOUASHAP-UHFFFAOYSA-N -1 3 371.372 3.054 20 0 FGADHM CC(C)Oc1ccc(NC(=O)Cc2c(F)cccc2F)cc1-c1nnn[n-]1 ZINC000820164059 607400342 /nfs/dbraw/zinc/40/03/42/607400342.db2.gz BRMIQJWGJDKKPX-UHFFFAOYSA-N -1 3 373.363 3.113 20 0 FGADHM CC(C)Oc1ccc(NC(=O)Cc2c(F)cccc2F)cc1-c1nn[n-]n1 ZINC000820164059 607400343 /nfs/dbraw/zinc/40/03/43/607400343.db2.gz BRMIQJWGJDKKPX-UHFFFAOYSA-N -1 3 373.363 3.113 20 0 FGADHM CCn1c(C)cc(C(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)c1C ZINC000821564172 607400874 /nfs/dbraw/zinc/40/08/74/607400874.db2.gz VYLHTAZUUHONIM-UHFFFAOYSA-N -1 3 368.441 3.344 20 0 FGADHM CCn1c(C)cc(C(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)c1C ZINC000821564172 607400875 /nfs/dbraw/zinc/40/08/75/607400875.db2.gz VYLHTAZUUHONIM-UHFFFAOYSA-N -1 3 368.441 3.344 20 0 FGADHM COc1ccc([C@H](NCc2cc(=O)oc3c(C)c(C)ccc23)C(=O)[O-])cc1 ZINC000737973683 599857054 /nfs/dbraw/zinc/85/70/54/599857054.db2.gz RPOPFIJRNAYTTN-IBGZPJMESA-N -1 3 367.401 3.334 20 0 FGADHM COc1ccc([C@@H](NCc2cc(=O)oc3cc(C)ccc23)C(=O)[O-])cc1 ZINC000737973551 599859636 /nfs/dbraw/zinc/85/96/36/599859636.db2.gz QRPXIJOBVRGDMS-LJQANCHMSA-N -1 3 353.374 3.026 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000826253216 607403037 /nfs/dbraw/zinc/40/30/37/607403037.db2.gz IJXYJNNLBBGPRB-ZIAGYGMSSA-N -1 3 370.359 3.300 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000826253216 607403038 /nfs/dbraw/zinc/40/30/38/607403038.db2.gz IJXYJNNLBBGPRB-ZIAGYGMSSA-N -1 3 370.359 3.300 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)[C@H]1C[C@]12CCc1ccccc12 ZINC000826253602 607403596 /nfs/dbraw/zinc/40/35/96/607403596.db2.gz WTSBSCNUNKBKJI-NQIIRXRSSA-N -1 3 360.417 3.122 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)[C@H]1C[C@]12CCc1ccccc12 ZINC000826253602 607403597 /nfs/dbraw/zinc/40/35/97/607403597.db2.gz WTSBSCNUNKBKJI-NQIIRXRSSA-N -1 3 360.417 3.122 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)C(C)(C)c1ccc(F)cc1 ZINC000826252525 607406540 /nfs/dbraw/zinc/40/65/40/607406540.db2.gz GMDCQCZKCJSGOI-UHFFFAOYSA-N -1 3 354.385 3.335 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)C(C)(C)c1ccc(F)cc1 ZINC000826252525 607406541 /nfs/dbraw/zinc/40/65/41/607406541.db2.gz GMDCQCZKCJSGOI-UHFFFAOYSA-N -1 3 354.385 3.335 20 0 FGADHM CC[C@@H](NCC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-])c1ccc(C)cc1 ZINC000736919491 600045445 /nfs/dbraw/zinc/04/54/45/600045445.db2.gz ZXBAPGHQHYZPQF-UXHICEINSA-N -1 3 366.461 3.074 20 0 FGADHM C[C@@H](CC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1ccc(F)cc1 ZINC000824385325 607417379 /nfs/dbraw/zinc/41/73/79/607417379.db2.gz QOUCRGMYJCHKNZ-ZDUSSCGKSA-N -1 3 365.412 3.305 20 0 FGADHM C[C@@H](CC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1ccc(F)cc1 ZINC000824385325 607417381 /nfs/dbraw/zinc/41/73/81/607417381.db2.gz QOUCRGMYJCHKNZ-ZDUSSCGKSA-N -1 3 365.412 3.305 20 0 FGADHM O=C([O-])c1occc1CN1CCC(c2nc(-c3ccccc3)no2)CC1 ZINC000652410037 600104513 /nfs/dbraw/zinc/10/45/13/600104513.db2.gz UGHBGTQPTVTLSY-UHFFFAOYSA-N -1 3 353.378 3.407 20 0 FGADHM Cc1ccc([C@@H](CNC(=O)c2cccc(CN3CCCC3)c2)C(=O)[O-])cc1 ZINC000738567677 600156529 /nfs/dbraw/zinc/15/65/29/600156529.db2.gz UGHTVAQSTJZYQN-HXUWFJFHSA-N -1 3 366.461 3.189 20 0 FGADHM CC(C)Oc1ccc(NC(=O)N2CCC[C@@H]2C(C)C)cc1-c1nnn[n-]1 ZINC000820166356 607427748 /nfs/dbraw/zinc/42/77/48/607427748.db2.gz WOGCWWZBPBNJNQ-OAHLLOKOSA-N -1 3 358.446 3.306 20 0 FGADHM CC(C)Oc1ccc(NC(=O)N2CCC[C@@H]2C(C)C)cc1-c1nn[n-]n1 ZINC000820166356 607427750 /nfs/dbraw/zinc/42/77/50/607427750.db2.gz WOGCWWZBPBNJNQ-OAHLLOKOSA-N -1 3 358.446 3.306 20 0 FGADHM Cc1ccc(CNC(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)s1 ZINC000822237160 607428574 /nfs/dbraw/zinc/42/85/74/607428574.db2.gz HQZMRYJAPDXNOU-UHFFFAOYSA-N -1 3 372.454 3.346 20 0 FGADHM Cc1ccc(CNC(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)s1 ZINC000822237160 607428575 /nfs/dbraw/zinc/42/85/75/607428575.db2.gz HQZMRYJAPDXNOU-UHFFFAOYSA-N -1 3 372.454 3.346 20 0 FGADHM CN(C(=O)Cc1cc(Cl)ccc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000825820784 607435531 /nfs/dbraw/zinc/43/55/31/607435531.db2.gz SRSQCFFVKIVLJT-UHFFFAOYSA-N -1 3 362.220 3.379 20 0 FGADHM CN(C(=O)Cc1cc(Cl)ccc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000825820784 607435532 /nfs/dbraw/zinc/43/55/32/607435532.db2.gz SRSQCFFVKIVLJT-UHFFFAOYSA-N -1 3 362.220 3.379 20 0 FGADHM COc1cccc([C@@H](C)CC(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826214507 607435667 /nfs/dbraw/zinc/43/56/67/607435667.db2.gz NTAVINXUGUHXNS-ZDUSSCGKSA-N -1 3 351.410 3.032 20 0 FGADHM COc1cccc([C@@H](C)CC(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826214507 607435669 /nfs/dbraw/zinc/43/56/69/607435669.db2.gz NTAVINXUGUHXNS-ZDUSSCGKSA-N -1 3 351.410 3.032 20 0 FGADHM O=C([O-])CCN(Cc1ccc(F)c(F)c1)C[C@H](O)c1ccccc1F ZINC000739720248 600329305 /nfs/dbraw/zinc/32/93/05/600329305.db2.gz NYQZWDDUHPKQGU-KRWDZBQOSA-N -1 3 353.340 3.114 20 0 FGADHM COc1ccc2oc(C(=O)N(C)c3ccc(-c4nnn[n-]4)cc3)c(C)c2c1 ZINC000826213601 607439049 /nfs/dbraw/zinc/43/90/49/607439049.db2.gz DITGISNULNAGKV-UHFFFAOYSA-N -1 3 363.377 3.207 20 0 FGADHM COc1ccc2oc(C(=O)N(C)c3ccc(-c4nn[n-]n4)cc3)c(C)c2c1 ZINC000826213601 607439050 /nfs/dbraw/zinc/43/90/50/607439050.db2.gz DITGISNULNAGKV-UHFFFAOYSA-N -1 3 363.377 3.207 20 0 FGADHM Cc1cccc(CN(CCN(C)C)C(=O)Nc2ccc(F)c(C(=O)[O-])c2)c1 ZINC000738709862 600391619 /nfs/dbraw/zinc/39/16/19/600391619.db2.gz YNJQJCAYPTZFKU-UHFFFAOYSA-N -1 3 373.428 3.428 20 0 FGADHM O=C([O-])[C@H](NCc1ccc(C(=O)N2CCCC2)cc1)c1cccc(Cl)c1 ZINC000739499378 600420944 /nfs/dbraw/zinc/42/09/44/600420944.db2.gz JHEQJTIPQGULCK-GOSISDBHSA-N -1 3 372.852 3.492 20 0 FGADHM COc1ccc(CN[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1OC(F)F ZINC000738008462 600422664 /nfs/dbraw/zinc/42/26/64/600422664.db2.gz KOLVBWOQHTWTBB-OAHLLOKOSA-N -1 3 355.312 3.351 20 0 FGADHM CCSc1cc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2C)ccn1 ZINC000825673770 607444660 /nfs/dbraw/zinc/44/46/60/607444660.db2.gz BNBRMIDQWJNSCE-UHFFFAOYSA-N -1 3 355.423 3.039 20 0 FGADHM CCSc1cc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2C)ccn1 ZINC000825673770 607444661 /nfs/dbraw/zinc/44/46/61/607444661.db2.gz BNBRMIDQWJNSCE-UHFFFAOYSA-N -1 3 355.423 3.039 20 0 FGADHM CCCC1(CNC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)CCC1 ZINC000825247222 607459980 /nfs/dbraw/zinc/45/99/80/607459980.db2.gz CKKVMYBKBSHCPY-UHFFFAOYSA-N -1 3 354.458 3.125 20 0 FGADHM CCCC1(CNC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)CCC1 ZINC000825247222 607459981 /nfs/dbraw/zinc/45/99/81/607459981.db2.gz CKKVMYBKBSHCPY-UHFFFAOYSA-N -1 3 354.458 3.125 20 0 FGADHM Cc1ccccc1-c1cc(NC(=O)c2ccc(-c3nnn[n-]3)cc2C)n[nH]1 ZINC000826249704 607461894 /nfs/dbraw/zinc/46/18/94/607461894.db2.gz PMFORJSPLDIIAP-UHFFFAOYSA-N -1 3 359.393 3.126 20 0 FGADHM Cc1ccccc1-c1cc(NC(=O)c2ccc(-c3nn[n-]n3)cc2C)n[nH]1 ZINC000826249704 607461895 /nfs/dbraw/zinc/46/18/95/607461895.db2.gz PMFORJSPLDIIAP-UHFFFAOYSA-N -1 3 359.393 3.126 20 0 FGADHM CCCC(O)(CCC)CC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000825242132 607458795 /nfs/dbraw/zinc/45/87/95/607458795.db2.gz IWKDDPLMSJTYKW-UHFFFAOYSA-N -1 3 371.485 3.079 20 0 FGADHM CCCC(O)(CCC)CC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000825242132 607458797 /nfs/dbraw/zinc/45/87/97/607458797.db2.gz IWKDDPLMSJTYKW-UHFFFAOYSA-N -1 3 371.485 3.079 20 0 FGADHM C[C@H](c1ccc(C(=O)[O-])o1)N1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000736806062 600714981 /nfs/dbraw/zinc/71/49/81/600714981.db2.gz HHANNDSCGCHBFA-JHJVBQTASA-N -1 3 352.431 3.274 20 0 FGADHM O=C([O-])[C@@H](NCCOc1ccc(Br)cc1)c1ccccc1F ZINC000833166290 600744869 /nfs/dbraw/zinc/74/48/69/600744869.db2.gz ORBQSYMXBHFJHA-HNNXBMFYSA-N -1 3 368.202 3.383 20 0 FGADHM O=C([O-])[C@H](N[C@@H]1CCN(CC(F)(F)F)C1)c1ccc(Cl)cc1Cl ZINC000833167235 600745854 /nfs/dbraw/zinc/74/58/54/600745854.db2.gz LCJYCCJJKSEQJU-BXKDBHETSA-N -1 3 371.186 3.345 20 0 FGADHM CCC[C@@H](C(=O)Nc1ncc2cc(-c3nnn[n-]3)ccc2n1)c1ccccc1 ZINC000825225437 607465791 /nfs/dbraw/zinc/46/57/91/607465791.db2.gz SPPXCLNWONCFQY-MRXNPFEDSA-N -1 3 373.420 3.332 20 0 FGADHM CCC[C@@H](C(=O)Nc1ncc2cc(-c3nn[n-]n3)ccc2n1)c1ccccc1 ZINC000825225437 607465792 /nfs/dbraw/zinc/46/57/92/607465792.db2.gz SPPXCLNWONCFQY-MRXNPFEDSA-N -1 3 373.420 3.332 20 0 FGADHM C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1Cc1ccccc1N(C)C ZINC000828493518 600821851 /nfs/dbraw/zinc/82/18/51/600821851.db2.gz GRNQKXVRHHLSGE-MRXNPFEDSA-N -1 3 353.466 3.162 20 0 FGADHM FC(F)(F)c1ccc(-n2cc(Nc3ncccc3-c3nnn[n-]3)cn2)cc1 ZINC000822723803 607470437 /nfs/dbraw/zinc/47/04/37/607470437.db2.gz PEGGVNWPZRSLIT-UHFFFAOYSA-N -1 3 372.314 3.210 20 0 FGADHM FC(F)(F)c1ccc(-n2cc(Nc3ncccc3-c3nn[n-]n3)cn2)cc1 ZINC000822723803 607470438 /nfs/dbraw/zinc/47/04/38/607470438.db2.gz PEGGVNWPZRSLIT-UHFFFAOYSA-N -1 3 372.314 3.210 20 0 FGADHM CC[C@H](C)[C@H](NC(=O)CN(C)[C@H]1CCC[C@@H]1c1ccc(C)cc1)C(=O)[O-] ZINC000828707254 600839299 /nfs/dbraw/zinc/83/92/99/600839299.db2.gz FBTKMXHUAYWJDC-NFBUACBFSA-N -1 3 360.498 3.178 20 0 FGADHM COc1ccc(CN(C)[C@H](C)c2cc(F)ccc2F)cc1-c1nnn[n-]1 ZINC000826192716 607486603 /nfs/dbraw/zinc/48/66/03/607486603.db2.gz YAXNNVVMGKNHIR-LLVKDONJSA-N -1 3 359.380 3.347 20 0 FGADHM COc1ccc(CN(C)[C@H](C)c2cc(F)ccc2F)cc1-c1nn[n-]n1 ZINC000826192716 607486604 /nfs/dbraw/zinc/48/66/04/607486604.db2.gz YAXNNVVMGKNHIR-LLVKDONJSA-N -1 3 359.380 3.347 20 0 FGADHM C[C@H](c1ccccc1)n1ccc(NCc2ccc(-c3nnn[n-]3)cc2F)n1 ZINC000820570876 607488421 /nfs/dbraw/zinc/48/84/21/607488421.db2.gz SOIWHXBCMQNEHT-CYBMUJFWSA-N -1 3 363.400 3.424 20 0 FGADHM C[C@H](c1ccccc1)n1ccc(NCc2ccc(-c3nn[n-]n3)cc2F)n1 ZINC000820570876 607488422 /nfs/dbraw/zinc/48/84/22/607488422.db2.gz SOIWHXBCMQNEHT-CYBMUJFWSA-N -1 3 363.400 3.424 20 0 FGADHM C[C@H](C(=O)[O-])[C@@H](NCC(=O)Nc1ccc(F)c(Cl)c1)c1ccccc1 ZINC000826054791 601201517 /nfs/dbraw/zinc/20/15/17/601201517.db2.gz QPWJKIDROAYGOQ-APPDUMDISA-N -1 3 364.804 3.469 20 0 FGADHM CC(C)N(Cc1ccccc1)C(=O)CN[C@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000826044275 601202248 /nfs/dbraw/zinc/20/22/48/601202248.db2.gz CZXMWWJBIIYVPY-UWJYYQICSA-N -1 3 368.477 3.475 20 0 FGADHM C[C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)N1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000828421563 601521046 /nfs/dbraw/zinc/52/10/46/601521046.db2.gz HHNVTKFPJKGNGW-VCBZYWHSSA-N -1 3 368.433 3.458 20 0 FGADHM Cc1sc(C(=O)[O-])cc1CN1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000833033161 601649720 /nfs/dbraw/zinc/64/97/20/601649720.db2.gz XALDWEALRZFXKC-HNNXBMFYSA-N -1 3 372.490 3.397 20 0 FGADHM C[C@H](C(=O)[O-])[C@@H](NCC(=O)N1c2ccccc2C[C@H]1C)c1ccccc1 ZINC000826045018 601656395 /nfs/dbraw/zinc/65/63/95/601656395.db2.gz OPWVOMDCWNPNAZ-QEEYODRMSA-N -1 3 352.434 3.016 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1CN1CCCC[C@@H]1c1nccs1 ZINC000826183091 607525001 /nfs/dbraw/zinc/52/50/01/607525001.db2.gz CYYCWDPDZNFHOL-CQSZACIVSA-N -1 3 356.455 3.059 20 0 FGADHM CCN(C(=O)CCCn1cccc1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825371002 607526127 /nfs/dbraw/zinc/52/61/27/607526127.db2.gz AIECVYRCEDNVKS-OAHLLOKOSA-N -1 3 352.442 3.058 20 0 FGADHM CCN(C(=O)CCCn1cccc1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825371002 607526129 /nfs/dbraw/zinc/52/61/29/607526129.db2.gz AIECVYRCEDNVKS-OAHLLOKOSA-N -1 3 352.442 3.058 20 0 FGADHM Cc1cccc(NC(=O)[C@H]2CCCN(Cc3ccsc3C(=O)[O-])C2)n1 ZINC000832970935 601808171 /nfs/dbraw/zinc/80/81/71/601808171.db2.gz OIWACGNLUCTEIE-AWEZNQCLSA-N -1 3 359.451 3.000 20 0 FGADHM O=C([O-])c1sccc1CN1CCC(C(=O)NC2CCCCC2)CC1 ZINC000833347848 601811201 /nfs/dbraw/zinc/81/12/01/601811201.db2.gz VSWMMISSWSTRHH-UHFFFAOYSA-N -1 3 350.484 3.107 20 0 FGADHM CC(C)N(Cc1ccccc1)C(=O)[C@H](C)N1CCC(CCC(=O)[O-])CC1 ZINC000825977851 601841879 /nfs/dbraw/zinc/84/18/79/601841879.db2.gz PUCMBYBTUDNPNZ-KRWDZBQOSA-N -1 3 360.498 3.389 20 0 FGADHM CCc1ncsc1C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000825755324 607530636 /nfs/dbraw/zinc/53/06/36/607530636.db2.gz TWQHKBVNHRENDG-UHFFFAOYSA-N -1 3 360.468 3.078 20 0 FGADHM CCc1ncsc1C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000825755324 607530637 /nfs/dbraw/zinc/53/06/37/607530637.db2.gz TWQHKBVNHRENDG-UHFFFAOYSA-N -1 3 360.468 3.078 20 0 FGADHM COc1ccc(OCCSCc2ccc(OC)c(-c3nnn[n-]3)c2)cc1 ZINC000826211473 607532576 /nfs/dbraw/zinc/53/25/76/607532576.db2.gz FYZZCIBCFHFYPP-UHFFFAOYSA-N -1 3 372.450 3.196 20 0 FGADHM COc1ccc(OCCSCc2ccc(OC)c(-c3nn[n-]n3)c2)cc1 ZINC000826211473 607532578 /nfs/dbraw/zinc/53/25/78/607532578.db2.gz FYZZCIBCFHFYPP-UHFFFAOYSA-N -1 3 372.450 3.196 20 0 FGADHM CCCCc1noc(CSCc2ccc(OC)c(-c3nnn[n-]3)c2)n1 ZINC000825296369 607534137 /nfs/dbraw/zinc/53/41/37/607534137.db2.gz GIKLHGGKDMKAAY-UHFFFAOYSA-N -1 3 360.443 3.034 20 0 FGADHM CCCCc1noc(CSCc2ccc(OC)c(-c3nn[n-]n3)c2)n1 ZINC000825296369 607534138 /nfs/dbraw/zinc/53/41/38/607534138.db2.gz GIKLHGGKDMKAAY-UHFFFAOYSA-N -1 3 360.443 3.034 20 0 FGADHM O=C([O-])c1ccc(CN2CCC(c3nc(-c4ccccn4)no3)CC2)s1 ZINC000833312912 601950934 /nfs/dbraw/zinc/95/09/34/601950934.db2.gz KEDWKQAORHMLSP-UHFFFAOYSA-N -1 3 370.434 3.271 20 0 FGADHM C[C@H]1CCCN(CCNC(=O)c2cc(NC(=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000828266351 601980224 /nfs/dbraw/zinc/98/02/24/601980224.db2.gz UGYDUMOLXGAGAP-NSHDSACASA-N -1 3 373.375 3.257 20 0 FGADHM O=C([O-])Nc1cc(C(=O)NCCN2CCCCC2)cc(C(F)(F)F)c1 ZINC000833280986 601981004 /nfs/dbraw/zinc/98/10/04/601981004.db2.gz DVTJHFSRUIOSSN-UHFFFAOYSA-N -1 3 359.348 3.011 20 0 FGADHM CCC(C)(C)[C@@H]1CCCN1C(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000825039387 607548366 /nfs/dbraw/zinc/54/83/66/607548366.db2.gz RGQMUMJMDHXFJU-BBRMVZONSA-N -1 3 357.458 3.061 20 0 FGADHM CCC(C)(C)[C@@H]1CCCN1C(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000825039387 607548367 /nfs/dbraw/zinc/54/83/67/607548367.db2.gz RGQMUMJMDHXFJU-BBRMVZONSA-N -1 3 357.458 3.061 20 0 FGADHM COc1ccc(CNc2ccc(OC(C)C)cc2F)cc1-c1nnn[n-]1 ZINC000826203810 607548939 /nfs/dbraw/zinc/54/89/39/607548939.db2.gz HCDWZVSBVLWKSV-UHFFFAOYSA-N -1 3 357.389 3.414 20 0 FGADHM COc1ccc(CNc2ccc(OC(C)C)cc2F)cc1-c1nn[n-]n1 ZINC000826203810 607548941 /nfs/dbraw/zinc/54/89/41/607548941.db2.gz HCDWZVSBVLWKSV-UHFFFAOYSA-N -1 3 357.389 3.414 20 0 FGADHM CC[C@@](C)(CC(=O)[O-])NCc1csc(-c2ccc(C(=O)OC)cc2)n1 ZINC000828665354 602215592 /nfs/dbraw/zinc/21/55/92/602215592.db2.gz RHCCXWXDPKKPAC-SFHVURJKSA-N -1 3 362.451 3.330 20 0 FGADHM CCc1ccc(-c2nc(CNC3(CC(=O)[O-])CCOCC3)cs2)cc1 ZINC000662212217 602255860 /nfs/dbraw/zinc/25/58/60/602255860.db2.gz LKOIDJWQSWXVQO-UHFFFAOYSA-N -1 3 360.479 3.486 20 0 FGADHM C[C@H](NC(=O)[O-])[C@H]1CCCCN1C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000739012517 602261467 /nfs/dbraw/zinc/26/14/67/602261467.db2.gz UWLAAEMAORATIO-NILFDRSVSA-N -1 3 360.376 3.249 20 0 FGADHM CCC[C@H](O)CC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000825248028 607556441 /nfs/dbraw/zinc/55/64/41/607556441.db2.gz LJOUXDWVLQEZKL-AWEZNQCLSA-N -1 3 367.409 3.149 20 0 FGADHM CCC[C@H](O)CC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000825248028 607556443 /nfs/dbraw/zinc/55/64/43/607556443.db2.gz LJOUXDWVLQEZKL-AWEZNQCLSA-N -1 3 367.409 3.149 20 0 FGADHM Cc1ccc(C(=O)[O-])cc1NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000312826916 602309317 /nfs/dbraw/zinc/30/93/17/602309317.db2.gz NLBNCCOWLUZHJU-GOSISDBHSA-N -1 3 367.449 3.431 20 0 FGADHM O=C([O-])c1ccc(NC(=O)N[C@H](CN2CCCC2)c2ccccc2)cc1F ZINC000833154938 602376315 /nfs/dbraw/zinc/37/63/15/602376315.db2.gz SMXGUEMVTLLQBJ-GOSISDBHSA-N -1 3 371.412 3.483 20 0 FGADHM C[C@@H]1C[C@@H](NC(=O)Nc2ccc(C(=O)[O-])c(F)c2)CN1Cc1ccccc1 ZINC000398182783 602385156 /nfs/dbraw/zinc/38/51/56/602385156.db2.gz KOYDPQQLXZNEMF-CZUORRHYSA-N -1 3 371.412 3.308 20 0 FGADHM CCC(CC)[C@@H](CCNC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)OC ZINC000825095116 607565551 /nfs/dbraw/zinc/56/55/51/607565551.db2.gz DGSUVVGVVJYGNU-SUMWQHHRSA-N -1 3 374.489 3.068 20 0 FGADHM CCC(CC)[C@@H](CCNC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)OC ZINC000825095116 607565553 /nfs/dbraw/zinc/56/55/53/607565553.db2.gz DGSUVVGVVJYGNU-SUMWQHHRSA-N -1 3 374.489 3.068 20 0 FGADHM O=C([O-])NCc1cccc(OC(=O)[C@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000740679032 602730197 /nfs/dbraw/zinc/73/01/97/602730197.db2.gz HYNSRDSSHUXQPJ-SFHVURJKSA-N -1 3 368.433 3.272 20 0 FGADHM Cc1ccc([C@H](CNC(=O)CCC(C)(C)NC(=O)[O-])N2CCCC2)cc1 ZINC000740117809 602828541 /nfs/dbraw/zinc/82/85/41/602828541.db2.gz MRQJAHDJPGHBRU-KRWDZBQOSA-N -1 3 361.486 3.075 20 0 FGADHM CN(C(=O)c1cc(F)c(F)cc1F)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000825825439 607589047 /nfs/dbraw/zinc/58/90/47/607589047.db2.gz BOYHMGLEINYFEI-UHFFFAOYSA-N -1 3 367.718 3.214 20 0 FGADHM CN(C(=O)c1cc(F)c(F)cc1F)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000825825439 607589048 /nfs/dbraw/zinc/58/90/48/607589048.db2.gz BOYHMGLEINYFEI-UHFFFAOYSA-N -1 3 367.718 3.214 20 0 FGADHM CCC(CC)[C@H](CCNC(=O)Nc1cc(-c2nnn[n-]2)ccc1C)OC ZINC000825095469 607618096 /nfs/dbraw/zinc/61/80/96/607618096.db2.gz GWSBEQKFKIFADH-INIZCTEOSA-N -1 3 360.462 3.138 20 0 FGADHM CCC(CC)[C@H](CCNC(=O)Nc1cc(-c2nn[n-]n2)ccc1C)OC ZINC000825095469 607618098 /nfs/dbraw/zinc/61/80/98/607618098.db2.gz GWSBEQKFKIFADH-INIZCTEOSA-N -1 3 360.462 3.138 20 0 FGADHM C[C@H](c1ccc(F)cc1)N(C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[O-] ZINC000825629837 603397595 /nfs/dbraw/zinc/39/75/95/603397595.db2.gz IZAKKLCIOFPYCM-CCKFTAQKSA-N -1 3 360.429 3.058 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1CN1CCc2cccc(F)c2[C@@H]1C ZINC000826184381 607630626 /nfs/dbraw/zinc/63/06/26/607630626.db2.gz UYWCBHNVZGGACR-LBPRGKRZSA-N -1 3 353.401 3.134 20 0 FGADHM CN(Cc1ccc(C(=O)Nc2ccccc2)cc1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000828354915 603492097 /nfs/dbraw/zinc/49/20/97/603492097.db2.gz FDVFNXWZXIIOER-GOSISDBHSA-N -1 3 353.422 3.123 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NCc1cccc(C(F)(F)F)c1 ZINC000826249155 607648438 /nfs/dbraw/zinc/64/84/38/607648438.db2.gz OKEMCOXWRYGPOG-UHFFFAOYSA-N -1 3 361.327 3.124 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NCc1cccc(C(F)(F)F)c1 ZINC000826249155 607648440 /nfs/dbraw/zinc/64/84/40/607648440.db2.gz OKEMCOXWRYGPOG-UHFFFAOYSA-N -1 3 361.327 3.124 20 0 FGADHM C[C@@H](CNC(=O)[O-])N(C)Cc1cc(Br)cc2cccnc21 ZINC000824966260 603751843 /nfs/dbraw/zinc/75/18/43/603751843.db2.gz CHUIGVFNILMBOJ-JTQLQIEISA-N -1 3 352.232 3.085 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)CCCc1sccc1C ZINC000826174483 607651385 /nfs/dbraw/zinc/65/13/85/607651385.db2.gz YSQQMOXECIDATI-UHFFFAOYSA-N -1 3 358.423 3.174 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)CCCc1sccc1C ZINC000826174483 607651387 /nfs/dbraw/zinc/65/13/87/607651387.db2.gz YSQQMOXECIDATI-UHFFFAOYSA-N -1 3 358.423 3.174 20 0 FGADHM CC(C)Oc1cccc([C@H](O)CNCc2cccc3c2N(C(=O)[O-])CC3)c1 ZINC000824418375 603862035 /nfs/dbraw/zinc/86/20/35/603862035.db2.gz LYUXGALELPXOIZ-LJQANCHMSA-N -1 3 370.449 3.338 20 0 FGADHM CCN(Cc1cccc(Cl)c1)C(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000825435065 607659853 /nfs/dbraw/zinc/65/98/53/607659853.db2.gz LBUIDWMBHWXTAN-UHFFFAOYSA-N -1 3 355.829 3.491 20 0 FGADHM CCN(Cc1cccc(Cl)c1)C(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000825435065 607659854 /nfs/dbraw/zinc/65/98/54/607659854.db2.gz LBUIDWMBHWXTAN-UHFFFAOYSA-N -1 3 355.829 3.491 20 0 FGADHM CCOc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)cc2C)cc1Cl ZINC000825643100 607665900 /nfs/dbraw/zinc/66/59/00/607665900.db2.gz ISMMQLCIQFUDPO-UHFFFAOYSA-N -1 3 357.801 3.480 20 0 FGADHM CCOc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)cc2C)cc1Cl ZINC000825643100 607665902 /nfs/dbraw/zinc/66/59/02/607665902.db2.gz ISMMQLCIQFUDPO-UHFFFAOYSA-N -1 3 357.801 3.480 20 0 FGADHM CN(C)CCN(C(=O)Nc1cccc(CN(C)C(=O)[O-])c1)C1CCCC1 ZINC000828024944 604089031 /nfs/dbraw/zinc/08/90/31/604089031.db2.gz YAEIQNPWTDWZJV-UHFFFAOYSA-N -1 3 362.474 3.135 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NC1(C(F)(F)F)CCCCC1 ZINC000826247201 607687699 /nfs/dbraw/zinc/68/76/99/607687699.db2.gz WPBKQOIEVRMFEO-UHFFFAOYSA-N -1 3 353.348 3.170 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NC1(C(F)(F)F)CCCCC1 ZINC000826247201 607687701 /nfs/dbraw/zinc/68/77/01/607687701.db2.gz WPBKQOIEVRMFEO-UHFFFAOYSA-N -1 3 353.348 3.170 20 0 FGADHM Cc1ccccc1CN1CCCN(C(=O)Nc2cc(C(=O)[O-])cs2)CC1 ZINC000832980222 604495455 /nfs/dbraw/zinc/49/54/55/604495455.db2.gz YYSNYEAOMWPKPP-UHFFFAOYSA-N -1 3 373.478 3.495 20 0 FGADHM Cc1ccsc1[C@@H]1C[C@H]1C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826316490 607699673 /nfs/dbraw/zinc/69/96/73/607699673.db2.gz PVOBRZVIZAJNFP-KCPJHIHWSA-N -1 3 353.451 3.218 20 0 FGADHM Cc1ccsc1[C@@H]1C[C@H]1C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826316490 607699674 /nfs/dbraw/zinc/69/96/74/607699674.db2.gz PVOBRZVIZAJNFP-KCPJHIHWSA-N -1 3 353.451 3.218 20 0 FGADHM C[C@H]1C[C@H](NC(=O)Nc2cc(C(=O)[O-])cs2)CN1Cc1ccccc1 ZINC000828177187 604509260 /nfs/dbraw/zinc/50/92/60/604509260.db2.gz OWBQYWGSFRPGCE-WFASDCNBSA-N -1 3 359.451 3.231 20 0 FGADHM Cc1cc(C)n(-c2ccccc2CNCc2ccc(NC(=O)[O-])nc2)n1 ZINC000830010247 604524376 /nfs/dbraw/zinc/52/43/76/604524376.db2.gz MNQGXBWBAJANFF-UHFFFAOYSA-N -1 3 351.410 3.264 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCC(c2cccc(F)c2)CC1 ZINC000826244842 607701606 /nfs/dbraw/zinc/70/16/06/607701606.db2.gz FGEZKKSGARSQBN-UHFFFAOYSA-N -1 3 365.412 3.334 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCC(c2cccc(F)c2)CC1 ZINC000826244842 607701608 /nfs/dbraw/zinc/70/16/08/607701608.db2.gz FGEZKKSGARSQBN-UHFFFAOYSA-N -1 3 365.412 3.334 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NC[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000826247407 607702599 /nfs/dbraw/zinc/70/25/99/607702599.db2.gz BTRNISSAYJPYBR-YPMHNXCESA-N -1 3 367.375 3.274 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NC[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000826247407 607702601 /nfs/dbraw/zinc/70/26/01/607702601.db2.gz BTRNISSAYJPYBR-YPMHNXCESA-N -1 3 367.375 3.274 20 0 FGADHM CC[C@@H](CC(=O)N(C)c1cccc(-c2nnn[n-]2)c1)c1ccc(OC)cc1 ZINC000825081231 607706812 /nfs/dbraw/zinc/70/68/12/607706812.db2.gz HSDKOVWIZVEVNR-AWEZNQCLSA-N -1 3 365.437 3.422 20 0 FGADHM CC[C@@H](CC(=O)N(C)c1cccc(-c2nn[n-]n2)c1)c1ccc(OC)cc1 ZINC000825081231 607706813 /nfs/dbraw/zinc/70/68/13/607706813.db2.gz HSDKOVWIZVEVNR-AWEZNQCLSA-N -1 3 365.437 3.422 20 0 FGADHM O=C([O-])c1ccccc1CCC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000079708647 604677954 /nfs/dbraw/zinc/67/79/54/604677954.db2.gz IIQDOISZYREUSP-FQEVSTJZSA-N -1 3 366.461 3.271 20 0 FGADHM O=C([O-])[C@H](O)C1CCN(Cc2cccc(OCc3ccccc3F)c2)CC1 ZINC000833770407 604762197 /nfs/dbraw/zinc/76/21/97/604762197.db2.gz FTKMQPCBYGUPIK-HXUWFJFHSA-N -1 3 373.424 3.062 20 0 FGADHM CC(C)(C)OC(=O)N1CC[C@H](N(Cc2ccsc2C(=O)[O-])C2CC2)C1 ZINC000833435963 604971885 /nfs/dbraw/zinc/97/18/85/604971885.db2.gz BDANOJMEOBYJAQ-AWEZNQCLSA-N -1 3 366.483 3.420 20 0 FGADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000833417537 604994677 /nfs/dbraw/zinc/99/46/77/604994677.db2.gz UPLZEEZGWLTAFK-GOSISDBHSA-N -1 3 358.482 3.245 20 0 FGADHM C[C@H](Oc1ccc(CNC2(c3ccc(F)cc3)CCOCC2)cc1)C(=O)[O-] ZINC000833538294 605093603 /nfs/dbraw/zinc/09/36/03/605093603.db2.gz CJEYLWBXOXOREH-HNNXBMFYSA-N -1 3 373.424 3.473 20 0 FGADHM CCc1ccc(CNC(=O)CN[C@H](c2ccccc2)C(C)(C)C(=O)[O-])s1 ZINC000833669918 605179445 /nfs/dbraw/zinc/17/94/45/605179445.db2.gz IGKRRFYBZGHIQT-GOSISDBHSA-N -1 3 374.506 3.368 20 0 FGADHM Cn1ccnc1[C@H]1CCN([C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)C1 ZINC000833760110 605220339 /nfs/dbraw/zinc/22/03/39/605220339.db2.gz LYUCZKOEAAKYIA-IINYFYTJSA-N -1 3 354.237 3.342 20 0 FGADHM CC(C)(C)OC(=O)[C@H]1CCN([C@@H](C(=O)[O-])c2ccccc2C(F)(F)F)C1 ZINC000833432367 605266023 /nfs/dbraw/zinc/26/60/23/605266023.db2.gz MDEYKHBIHPJEBC-SMDDNHRTSA-N -1 3 373.371 3.495 20 0 FGADHM C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000824763203 607746332 /nfs/dbraw/zinc/74/63/32/607746332.db2.gz LAYQURCSJSRLES-MNOVXSKESA-N -1 3 358.833 3.112 20 0 FGADHM C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000824763203 607746333 /nfs/dbraw/zinc/74/63/33/607746333.db2.gz LAYQURCSJSRLES-MNOVXSKESA-N -1 3 358.833 3.112 20 0 FGADHM Cc1cccc(C(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)c2cccc(C)c2)c1 ZINC000826297161 607748837 /nfs/dbraw/zinc/74/88/37/607748837.db2.gz XPXWBSQRFGSFRP-UHFFFAOYSA-N -1 3 372.432 3.331 20 0 FGADHM Cc1cccc(C(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)c2cccc(C)c2)c1 ZINC000826297161 607748838 /nfs/dbraw/zinc/74/88/38/607748838.db2.gz XPXWBSQRFGSFRP-UHFFFAOYSA-N -1 3 372.432 3.331 20 0 FGADHM CCOc1cc(CN2CC[C@@H](NC(=O)[O-])[C@H](C)C2)ccc1OC(F)F ZINC000833861035 605598630 /nfs/dbraw/zinc/59/86/30/605598630.db2.gz FHHXPNDDQZNOLH-DGCLKSJQSA-N -1 3 358.385 3.165 20 0 FGADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CCCC[C@@H]1CCCc1ccccc1 ZINC000826470406 607771671 /nfs/dbraw/zinc/77/16/71/607771671.db2.gz OVUKPVYXNQWNGX-QGZVFWFLSA-N -1 3 364.453 3.212 20 0 FGADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CCCC[C@@H]1CCCc1ccccc1 ZINC000826470406 607771672 /nfs/dbraw/zinc/77/16/72/607771672.db2.gz OVUKPVYXNQWNGX-QGZVFWFLSA-N -1 3 364.453 3.212 20 0 FGADHM O=C(Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)[C@H]1CC12CCC2 ZINC000826459303 607771701 /nfs/dbraw/zinc/77/17/01/607771701.db2.gz FBFDUIPZENNGBM-GFCCVEGCSA-N -1 3 352.423 3.119 20 0 FGADHM O=C(Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)[C@H]1CC12CCC2 ZINC000826459303 607771702 /nfs/dbraw/zinc/77/17/02/607771702.db2.gz FBFDUIPZENNGBM-GFCCVEGCSA-N -1 3 352.423 3.119 20 0 FGADHM O=C([O-])N1CCCc2cc(NC(=O)[C@@H]3CCCN3C3CCCC3)ccc21 ZINC000834053724 605757924 /nfs/dbraw/zinc/75/79/24/605757924.db2.gz AUIWGYBRKZZVDE-SFHVURJKSA-N -1 3 357.454 3.463 20 0 FGADHM CC(C)(C)OC(=O)NC[C@@](C)(NCc1cc(C(=O)[O-])ccc1F)C1CC1 ZINC000833438560 605839593 /nfs/dbraw/zinc/83/95/93/605839593.db2.gz KDHZOYFOVOIQHG-LJQANCHMSA-N -1 3 366.433 3.307 20 0 FGADHM CCc1oc(C(=O)OC)cc1COc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821563890 606018342 /nfs/dbraw/zinc/01/83/42/606018342.db2.gz KRKHZNFKBOAYOZ-UHFFFAOYSA-N -1 3 362.773 3.041 20 0 FGADHM CCc1oc(C(=O)OC)cc1COc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821563890 606018349 /nfs/dbraw/zinc/01/83/49/606018349.db2.gz KRKHZNFKBOAYOZ-UHFFFAOYSA-N -1 3 362.773 3.041 20 0 FGADHM Cc1ccc2[nH]cc(CCC(=O)N[C@@H](C)c3cccc(-c4nnn[n-]4)c3)c2c1 ZINC000822275374 606027333 /nfs/dbraw/zinc/02/73/33/606027333.db2.gz SEJQLWDZUWLOIX-AWEZNQCLSA-N -1 3 374.448 3.466 20 0 FGADHM Cc1ccc2[nH]cc(CCC(=O)N[C@@H](C)c3cccc(-c4nn[n-]n4)c3)c2c1 ZINC000822275374 606027341 /nfs/dbraw/zinc/02/73/41/606027341.db2.gz SEJQLWDZUWLOIX-AWEZNQCLSA-N -1 3 374.448 3.466 20 0 FGADHM c1ccc2sc(C3CCN(c4ccc(-c5nnn[n-]5)nc4)CC3)nc2c1 ZINC000823802429 606028516 /nfs/dbraw/zinc/02/85/16/606028516.db2.gz NLIOVMAMMFPPEN-UHFFFAOYSA-N -1 3 363.450 3.255 20 0 FGADHM c1ccc2sc(C3CCN(c4ccc(-c5nn[n-]n5)nc4)CC3)nc2c1 ZINC000823802429 606028519 /nfs/dbraw/zinc/02/85/19/606028519.db2.gz NLIOVMAMMFPPEN-UHFFFAOYSA-N -1 3 363.450 3.255 20 0 FGADHM c1ccc2nc(NC[C@@H]3COc4ccccc4C3)c(-c3nnn[n-]3)cc2c1 ZINC000823796758 606032011 /nfs/dbraw/zinc/03/20/11/606032011.db2.gz GBYXSYRKTQAZRV-CYBMUJFWSA-N -1 3 358.405 3.078 20 0 FGADHM c1ccc2nc(NC[C@@H]3COc4ccccc4C3)c(-c3nn[n-]n3)cc2c1 ZINC000823796758 606032014 /nfs/dbraw/zinc/03/20/14/606032014.db2.gz GBYXSYRKTQAZRV-CYBMUJFWSA-N -1 3 358.405 3.078 20 0 FGADHM O=C([O-])Nc1ccccc1CC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000834273344 606043506 /nfs/dbraw/zinc/04/35/06/606043506.db2.gz PPLIPXCEAVGBLN-MRXNPFEDSA-N -1 3 373.478 3.334 20 0 FGADHM CN(Cc1nc(C(F)(F)F)cs1)c1cccc(F)c1-c1nnn[n-]1 ZINC000821616836 606044749 /nfs/dbraw/zinc/04/47/49/606044749.db2.gz KFSLOOQSTKSIHZ-UHFFFAOYSA-N -1 3 358.324 3.118 20 0 FGADHM CN(Cc1nc(C(F)(F)F)cs1)c1cccc(F)c1-c1nn[n-]n1 ZINC000821616836 606044754 /nfs/dbraw/zinc/04/47/54/606044754.db2.gz KFSLOOQSTKSIHZ-UHFFFAOYSA-N -1 3 358.324 3.118 20 0 FGADHM C[C@@H]1CCN(C(=O)c2sccc2-c2nnn[n-]2)[C@@H]1c1cccc(F)c1 ZINC000820717881 606110126 /nfs/dbraw/zinc/11/01/26/606110126.db2.gz YAIFYKRESMZCNQ-YGRLFVJLSA-N -1 3 357.414 3.291 20 0 FGADHM C[C@@H]1CCN(C(=O)c2sccc2-c2nn[n-]n2)[C@@H]1c1cccc(F)c1 ZINC000820717881 606110128 /nfs/dbraw/zinc/11/01/28/606110128.db2.gz YAIFYKRESMZCNQ-YGRLFVJLSA-N -1 3 357.414 3.291 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)Nc1ccc2c(c1)C(=O)CCC2 ZINC000822937136 606119137 /nfs/dbraw/zinc/11/91/37/606119137.db2.gz ZYPLGJQMHAUGSH-PKNBQFBNSA-N -1 3 359.389 3.038 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)Nc1ccc2c(c1)C(=O)CCC2 ZINC000822937136 606119138 /nfs/dbraw/zinc/11/91/38/606119138.db2.gz ZYPLGJQMHAUGSH-PKNBQFBNSA-N -1 3 359.389 3.038 20 0 FGADHM C[C@@H](C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F)c1ccc(Cl)s1 ZINC000819857963 606126209 /nfs/dbraw/zinc/12/62/09/606126209.db2.gz WTKGHNATXQCNLO-MRVPVSSYSA-N -1 3 365.821 3.487 20 0 FGADHM C[C@@H](C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F)c1ccc(Cl)s1 ZINC000819857963 606126210 /nfs/dbraw/zinc/12/62/10/606126210.db2.gz WTKGHNATXQCNLO-MRVPVSSYSA-N -1 3 365.821 3.487 20 0 FGADHM CCCC[C@@H](Cc1ccccn1)OC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821042644 606134959 /nfs/dbraw/zinc/13/49/59/606134959.db2.gz GQBHTZWBRBNPSA-KRWDZBQOSA-N -1 3 351.410 3.220 20 0 FGADHM CCCC[C@@H](Cc1ccccn1)OC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821042644 606134961 /nfs/dbraw/zinc/13/49/61/606134961.db2.gz GQBHTZWBRBNPSA-KRWDZBQOSA-N -1 3 351.410 3.220 20 0 FGADHM Cc1ccccc1[C@H](CO)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000822350609 606139201 /nfs/dbraw/zinc/13/92/01/606139201.db2.gz FCJDQENHXBYLCI-HNNXBMFYSA-N -1 3 363.343 3.339 20 0 FGADHM Cc1ccccc1[C@H](CO)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000822350609 606139202 /nfs/dbraw/zinc/13/92/02/606139202.db2.gz FCJDQENHXBYLCI-HNNXBMFYSA-N -1 3 363.343 3.339 20 0 FGADHM CC[C@@H](Oc1cccc(C)c1)C(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000820938313 606140137 /nfs/dbraw/zinc/14/01/37/606140137.db2.gz IJXOSVQONYSBHY-QGZVFWFLSA-N -1 3 370.384 3.215 20 0 FGADHM CC[C@@H](Oc1cccc(C)c1)C(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000820938313 606140138 /nfs/dbraw/zinc/14/01/38/606140138.db2.gz IJXOSVQONYSBHY-QGZVFWFLSA-N -1 3 370.384 3.215 20 0 FGADHM Cc1ncoc1C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000822481806 606150959 /nfs/dbraw/zinc/15/09/59/606150959.db2.gz FTHKNJAVULSVDO-UHFFFAOYSA-N -1 3 362.349 3.208 20 0 FGADHM Cc1ncoc1C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000822481806 606150960 /nfs/dbraw/zinc/15/09/60/606150960.db2.gz FTHKNJAVULSVDO-UHFFFAOYSA-N -1 3 362.349 3.208 20 0 FGADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1c(Cl)cccc1Cl ZINC000821613577 606151173 /nfs/dbraw/zinc/15/11/73/606151173.db2.gz SNHADZMQUIHBGB-UHFFFAOYSA-N -1 3 362.220 3.446 20 0 FGADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1c(Cl)cccc1Cl ZINC000821613577 606151175 /nfs/dbraw/zinc/15/11/75/606151175.db2.gz SNHADZMQUIHBGB-UHFFFAOYSA-N -1 3 362.220 3.446 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N[C@@H]1CCCc2[nH]ccc21 ZINC000823308735 606151215 /nfs/dbraw/zinc/15/12/15/606151215.db2.gz IVHFNROIJNEMCV-CQSZACIVSA-N -1 3 357.805 3.047 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N[C@@H]1CCCc2[nH]ccc21 ZINC000823308735 606151217 /nfs/dbraw/zinc/15/12/17/606151217.db2.gz IVHFNROIJNEMCV-CQSZACIVSA-N -1 3 357.805 3.047 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C/C=C\c1ccc(F)cc1 ZINC000821756314 606152221 /nfs/dbraw/zinc/15/22/21/606152221.db2.gz NOFNHFBJBKVCHX-IHWYPQMZSA-N -1 3 353.357 3.056 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C/C=C\c1ccc(F)cc1 ZINC000821756314 606152222 /nfs/dbraw/zinc/15/22/22/606152222.db2.gz NOFNHFBJBKVCHX-IHWYPQMZSA-N -1 3 353.357 3.056 20 0 FGADHM C[C@@H](NC(=O)C/C=C\c1ccc(F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820321749 606153303 /nfs/dbraw/zinc/15/33/03/606153303.db2.gz MCOAZRHGVOIEFG-QDOCKXBDSA-N -1 3 351.385 3.287 20 0 FGADHM C[C@@H](NC(=O)C/C=C\c1ccc(F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820321749 606153304 /nfs/dbraw/zinc/15/33/04/606153304.db2.gz MCOAZRHGVOIEFG-QDOCKXBDSA-N -1 3 351.385 3.287 20 0 FGADHM O=C(Oc1ccc(Oc2nccs2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000823454761 606182528 /nfs/dbraw/zinc/18/25/28/606182528.db2.gz TVQTWCLCVJEBSH-UHFFFAOYSA-N -1 3 365.374 3.335 20 0 FGADHM O=C(Oc1ccc(Oc2nccs2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000823454761 606182530 /nfs/dbraw/zinc/18/25/30/606182530.db2.gz TVQTWCLCVJEBSH-UHFFFAOYSA-N -1 3 365.374 3.335 20 0 FGADHM Cc1cccc(NC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)n1 ZINC000822324039 606191740 /nfs/dbraw/zinc/19/17/40/606191740.db2.gz SVRGINXXRWSNDO-UHFFFAOYSA-N -1 3 356.389 3.489 20 0 FGADHM Cc1cccc(NC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)n1 ZINC000822324039 606191741 /nfs/dbraw/zinc/19/17/41/606191741.db2.gz SVRGINXXRWSNDO-UHFFFAOYSA-N -1 3 356.389 3.489 20 0 FGADHM c1sc(-c2ccccc2)nc1CNCc1cc(-c2nnn[n-]2)cs1 ZINC000823766387 606215036 /nfs/dbraw/zinc/21/50/36/606215036.db2.gz CAOXGZYEOQPGIS-UHFFFAOYSA-N -1 3 354.464 3.342 20 0 FGADHM c1sc(-c2ccccc2)nc1CNCc1cc(-c2nn[n-]n2)cs1 ZINC000823766387 606215037 /nfs/dbraw/zinc/21/50/37/606215037.db2.gz CAOXGZYEOQPGIS-UHFFFAOYSA-N -1 3 354.464 3.342 20 0 FGADHM Fc1cc(-c2nnn[n-]2)cc(F)c1NCCCc1nc2ccccc2[nH]1 ZINC000822737231 606215320 /nfs/dbraw/zinc/21/53/20/606215320.db2.gz RJPGKHZDUTZWLP-UHFFFAOYSA-N -1 3 355.352 3.066 20 0 FGADHM Fc1cc(-c2nn[n-]n2)cc(F)c1NCCCc1nc2ccccc2[nH]1 ZINC000822737231 606215322 /nfs/dbraw/zinc/21/53/22/606215322.db2.gz RJPGKHZDUTZWLP-UHFFFAOYSA-N -1 3 355.352 3.066 20 0 FGADHM Fc1ccc(OC2CCN(c3ccc(-c4nn[n-]n4)cc3F)CC2)cc1 ZINC000822782833 606220711 /nfs/dbraw/zinc/22/07/11/606220711.db2.gz ISORJCCKEHJSAV-UHFFFAOYSA-N -1 3 357.364 3.193 20 0 FGADHM C[C@H](NCc1cc(-c2nnn[n-]2)cs1)c1nc(C2CCCCC2)no1 ZINC000820427209 606223038 /nfs/dbraw/zinc/22/30/38/606223038.db2.gz QDYCCEYEGYMTMM-JTQLQIEISA-N -1 3 359.459 3.210 20 0 FGADHM C[C@H](NCc1cc(-c2nn[n-]n2)cs1)c1nc(C2CCCCC2)no1 ZINC000820427209 606223040 /nfs/dbraw/zinc/22/30/40/606223040.db2.gz QDYCCEYEGYMTMM-JTQLQIEISA-N -1 3 359.459 3.210 20 0 FGADHM O[C@H](C[C@H]1CCCCCN1c1ccc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC000823673722 606241643 /nfs/dbraw/zinc/24/16/43/606241643.db2.gz MWNUVRWZWBRBTP-QZTJIDSGSA-N -1 3 364.453 3.134 20 0 FGADHM O[C@H](C[C@H]1CCCCCN1c1ccc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC000823673722 606241644 /nfs/dbraw/zinc/24/16/44/606241644.db2.gz MWNUVRWZWBRBTP-QZTJIDSGSA-N -1 3 364.453 3.134 20 0 FGADHM C[C@]1(CNc2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)CCCC[C@H]1O ZINC000820618370 606242472 /nfs/dbraw/zinc/24/24/72/606242472.db2.gz AZPHPSXPKXEXEY-RDTXWAMCSA-N -1 3 374.395 3.046 20 0 FGADHM C[C@]1(CNc2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)CCCC[C@H]1O ZINC000820618370 606242473 /nfs/dbraw/zinc/24/24/73/606242473.db2.gz AZPHPSXPKXEXEY-RDTXWAMCSA-N -1 3 374.395 3.046 20 0 FGADHM C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1ccc(-c2ccccc2)cc1 ZINC000820384839 606244769 /nfs/dbraw/zinc/24/47/69/606244769.db2.gz LWNMTADHDLWTIF-CYBMUJFWSA-N -1 3 358.405 3.353 20 0 FGADHM C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1ccc(-c2ccccc2)cc1 ZINC000820384839 606244770 /nfs/dbraw/zinc/24/47/70/606244770.db2.gz LWNMTADHDLWTIF-CYBMUJFWSA-N -1 3 358.405 3.353 20 0 FGADHM CC(C)CNC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000820097307 606246134 /nfs/dbraw/zinc/24/61/34/606246134.db2.gz MGFDUBMEIAIWHF-UHFFFAOYSA-N -1 3 353.451 3.404 20 0 FGADHM CC(C)CNC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000820097307 606246137 /nfs/dbraw/zinc/24/61/37/606246137.db2.gz MGFDUBMEIAIWHF-UHFFFAOYSA-N -1 3 353.451 3.404 20 0 FGADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N[C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000822632362 606249045 /nfs/dbraw/zinc/24/90/45/606249045.db2.gz VZDWBXMRSXHTJB-MRXNPFEDSA-N -1 3 370.844 3.130 20 0 FGADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N[C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000822632362 606249047 /nfs/dbraw/zinc/24/90/47/606249047.db2.gz VZDWBXMRSXHTJB-MRXNPFEDSA-N -1 3 370.844 3.130 20 0 FGADHM CC[C@@H](c1ccccc1)N(CC(C)C)C(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000820937835 606252343 /nfs/dbraw/zinc/25/23/43/606252343.db2.gz DROWWNJIPXHOQY-KRWDZBQOSA-N -1 3 366.469 3.455 20 0 FGADHM CC[C@@H](c1ccccc1)N(CC(C)C)C(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000820937835 606252345 /nfs/dbraw/zinc/25/23/45/606252345.db2.gz DROWWNJIPXHOQY-KRWDZBQOSA-N -1 3 366.469 3.455 20 0 FGADHM C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000820562531 606254057 /nfs/dbraw/zinc/25/40/57/606254057.db2.gz GLMKPIHXGJHDOE-VIFPVBQESA-N -1 3 364.331 3.047 20 0 FGADHM C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000820562531 606254058 /nfs/dbraw/zinc/25/40/58/606254058.db2.gz GLMKPIHXGJHDOE-VIFPVBQESA-N -1 3 364.331 3.047 20 0 FGADHM CC[C@H](Oc1ccccc1F)C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820938453 606254504 /nfs/dbraw/zinc/25/45/04/606254504.db2.gz JALJJTDFAFFHQX-LRDDRELGSA-N -1 3 369.400 3.041 20 0 FGADHM CC[C@H](Oc1ccccc1F)C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820938453 606254505 /nfs/dbraw/zinc/25/45/05/606254505.db2.gz JALJJTDFAFFHQX-LRDDRELGSA-N -1 3 369.400 3.041 20 0 FGADHM CC[C@@H](Oc1ccccc1F)C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820938454 606254564 /nfs/dbraw/zinc/25/45/64/606254564.db2.gz JALJJTDFAFFHQX-MLGOLLRUSA-N -1 3 369.400 3.041 20 0 FGADHM CC[C@@H](Oc1ccccc1F)C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820938454 606254566 /nfs/dbraw/zinc/25/45/66/606254566.db2.gz JALJJTDFAFFHQX-MLGOLLRUSA-N -1 3 369.400 3.041 20 0 FGADHM C[C@H]1C[C@H]1CNC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000820668589 606256443 /nfs/dbraw/zinc/25/64/43/606256443.db2.gz VCRVIAOXWKFSIM-JSGCOSHPSA-N -1 3 365.462 3.404 20 0 FGADHM C[C@H]1C[C@H]1CNC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000820668589 606256444 /nfs/dbraw/zinc/25/64/44/606256444.db2.gz VCRVIAOXWKFSIM-JSGCOSHPSA-N -1 3 365.462 3.404 20 0 FGADHM C[C@@H](OC(=O)c1occc1Br)c1ccc(-c2nnn[n-]2)cc1 ZINC000820519779 606259909 /nfs/dbraw/zinc/25/99/09/606259909.db2.gz WSBFATZQTCAYNM-MRVPVSSYSA-N -1 3 363.171 3.140 20 0 FGADHM C[C@@H](OC(=O)c1occc1Br)c1ccc(-c2nn[n-]n2)cc1 ZINC000820519779 606259910 /nfs/dbraw/zinc/25/99/10/606259910.db2.gz WSBFATZQTCAYNM-MRVPVSSYSA-N -1 3 363.171 3.140 20 0 FGADHM COCc1c2ccccc2oc1C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000821695432 606269881 /nfs/dbraw/zinc/26/98/81/606269881.db2.gz ZEDJRWFYOIFVQX-UHFFFAOYSA-N -1 3 367.340 3.151 20 0 FGADHM COCc1c2ccccc2oc1C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000821695432 606269883 /nfs/dbraw/zinc/26/98/83/606269883.db2.gz ZEDJRWFYOIFVQX-UHFFFAOYSA-N -1 3 367.340 3.151 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(C(C)=O)s1 ZINC000821123066 606281807 /nfs/dbraw/zinc/28/18/07/606281807.db2.gz JPITXOULDNZORM-UHFFFAOYSA-N -1 3 370.438 3.205 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(OC)cc1C ZINC000821123745 606282043 /nfs/dbraw/zinc/28/20/43/606282043.db2.gz XDWLHOKLRIBDMS-UHFFFAOYSA-N -1 3 366.425 3.258 20 0 FGADHM CC(=O)Nc1ccc(C(=O)[C@@H](C)Sc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000819817477 606328431 /nfs/dbraw/zinc/32/84/31/606328431.db2.gz IIRZOOUWGOWAJX-LLVKDONJSA-N -1 3 367.434 3.189 20 0 FGADHM CC(=O)Nc1ccc(C(=O)[C@@H](C)Sc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000819817477 606328433 /nfs/dbraw/zinc/32/84/33/606328433.db2.gz IIRZOOUWGOWAJX-LLVKDONJSA-N -1 3 367.434 3.189 20 0 FGADHM CC(C)N(C)C(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000820111644 606335514 /nfs/dbraw/zinc/33/55/14/606335514.db2.gz DYASNDIMABCIBV-UHFFFAOYSA-N -1 3 353.451 3.498 20 0 FGADHM CC(C)N(C)C(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000820111644 606335516 /nfs/dbraw/zinc/33/55/16/606335516.db2.gz DYASNDIMABCIBV-UHFFFAOYSA-N -1 3 353.451 3.498 20 0 FGADHM C[C@@H]1C[C@H]1c1ccc(CNC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)o1 ZINC000820678668 606346971 /nfs/dbraw/zinc/34/69/71/606346971.db2.gz XALSXTBMXXWIKJ-BXKDBHETSA-N -1 3 356.361 3.044 20 0 FGADHM C[C@@H]1C[C@H]1c1ccc(CNC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)o1 ZINC000820678668 606346973 /nfs/dbraw/zinc/34/69/73/606346973.db2.gz XALSXTBMXXWIKJ-BXKDBHETSA-N -1 3 356.361 3.044 20 0 FGADHM C[C@H](CN(C)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1)c1ccccc1 ZINC000820253426 606348966 /nfs/dbraw/zinc/34/89/66/606348966.db2.gz IDJXANWAUBCAQN-GFCCVEGCSA-N -1 3 354.389 3.273 20 0 FGADHM C[C@H](CN(C)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1)c1ccccc1 ZINC000820253426 606348969 /nfs/dbraw/zinc/34/89/69/606348969.db2.gz IDJXANWAUBCAQN-GFCCVEGCSA-N -1 3 354.389 3.273 20 0 FGADHM C[C@H](OC(=O)C=Cc1cnc2ccccc2n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820488538 606352245 /nfs/dbraw/zinc/35/22/45/606352245.db2.gz PCHNTWIQKYWVNZ-NHAQELONSA-N -1 3 372.388 3.128 20 0 FGADHM C[C@H](OC(=O)C=Cc1cnc2ccccc2n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820488538 606352247 /nfs/dbraw/zinc/35/22/47/606352247.db2.gz PCHNTWIQKYWVNZ-NHAQELONSA-N -1 3 372.388 3.128 20 0 FGADHM O=C(NCc1ccc(F)c(Cl)c1)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000823252967 606358247 /nfs/dbraw/zinc/35/82/47/606358247.db2.gz BVLXVRWJWWQUOO-UHFFFAOYSA-N -1 3 364.743 3.120 20 0 FGADHM O=C(NCc1ccc(F)c(Cl)c1)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000823252967 606358249 /nfs/dbraw/zinc/35/82/49/606358249.db2.gz BVLXVRWJWWQUOO-UHFFFAOYSA-N -1 3 364.743 3.120 20 0 FGADHM COc1ccc(CCC(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1F ZINC000821790215 606358430 /nfs/dbraw/zinc/35/84/30/606358430.db2.gz JSTRXNLEKUUPAK-GFCCVEGCSA-N -1 3 370.384 3.251 20 0 FGADHM COc1ccc(CCC(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000821790215 606358432 /nfs/dbraw/zinc/35/84/32/606358432.db2.gz JSTRXNLEKUUPAK-GFCCVEGCSA-N -1 3 370.384 3.251 20 0 FGADHM C[C@H](OC(=O)C1(c2ccccc2F)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820488602 606359345 /nfs/dbraw/zinc/35/93/45/606359345.db2.gz QIPMJCUGWNIGJJ-LBPRGKRZSA-N -1 3 352.369 3.342 20 0 FGADHM C[C@H](OC(=O)C1(c2ccccc2F)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820488602 606359347 /nfs/dbraw/zinc/35/93/47/606359347.db2.gz QIPMJCUGWNIGJJ-LBPRGKRZSA-N -1 3 352.369 3.342 20 0 FGADHM O=C(Oc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1)[C@@H]1CCCS1 ZINC000823453826 606361802 /nfs/dbraw/zinc/36/18/02/606361802.db2.gz AWNNSGSYYSQQIB-INIZCTEOSA-N -1 3 368.418 3.460 20 0 FGADHM O=C(Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)[C@@H]1CCCS1 ZINC000823453826 606361804 /nfs/dbraw/zinc/36/18/04/606361804.db2.gz AWNNSGSYYSQQIB-INIZCTEOSA-N -1 3 368.418 3.460 20 0 FGADHM CC[C@H](Oc1ccccc1Cl)C(=O)N(C)c1cccc(-c2nnn[n-]2)c1 ZINC000820939080 606371768 /nfs/dbraw/zinc/37/17/68/606371768.db2.gz QCOCSYPCANIIOK-HNNXBMFYSA-N -1 3 371.828 3.341 20 0 FGADHM CC[C@H](Oc1ccccc1Cl)C(=O)N(C)c1cccc(-c2nn[n-]n2)c1 ZINC000820939080 606371769 /nfs/dbraw/zinc/37/17/69/606371769.db2.gz QCOCSYPCANIIOK-HNNXBMFYSA-N -1 3 371.828 3.341 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)Nc1ccc(OCC(F)F)cc1 ZINC000822220443 606383392 /nfs/dbraw/zinc/38/33/92/606383392.db2.gz RIIRKWLACGYMMQ-UHFFFAOYSA-N -1 3 374.351 3.463 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)Nc1ccc(OCC(F)F)cc1 ZINC000822220443 606383394 /nfs/dbraw/zinc/38/33/94/606383394.db2.gz RIIRKWLACGYMMQ-UHFFFAOYSA-N -1 3 374.351 3.463 20 0 FGADHM CCN1C(=O)c2cc(Cl)ccc2N[C@H]1c1ccc(-c2nnn[n-]2)s1 ZINC000821240487 606393601 /nfs/dbraw/zinc/39/36/01/606393601.db2.gz HCNNEOHVQNIRQZ-CQSZACIVSA-N -1 3 360.830 3.168 20 0 FGADHM COc1cccc(CCC(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821863924 606396973 /nfs/dbraw/zinc/39/69/73/606396973.db2.gz RAPIKRXHPWUAMM-ZDUSSCGKSA-N -1 3 352.394 3.112 20 0 FGADHM COc1cccc(CCC(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821863924 606396974 /nfs/dbraw/zinc/39/69/74/606396974.db2.gz RAPIKRXHPWUAMM-ZDUSSCGKSA-N -1 3 352.394 3.112 20 0 FGADHM COc1cccc(C[C@H]2CCCN2c2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000821863747 606401034 /nfs/dbraw/zinc/40/10/34/606401034.db2.gz OKLLGCABLSKYGN-OAHLLOKOSA-N -1 3 353.401 3.226 20 0 FGADHM COc1cccc(C[C@H]2CCCN2c2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000821863747 606401035 /nfs/dbraw/zinc/40/10/35/606401035.db2.gz OKLLGCABLSKYGN-OAHLLOKOSA-N -1 3 353.401 3.226 20 0 FGADHM CN(C(=O)[C@H]1CCOc2ccccc21)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821569514 606414254 /nfs/dbraw/zinc/41/42/54/606414254.db2.gz MSELNJCFDIQGRQ-ZDUSSCGKSA-N -1 3 369.812 3.049 20 0 FGADHM CN(C(=O)[C@H]1CCOc2ccccc21)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821569514 606414257 /nfs/dbraw/zinc/41/42/57/606414257.db2.gz MSELNJCFDIQGRQ-ZDUSSCGKSA-N -1 3 369.812 3.049 20 0 FGADHM C[C@H](Nc1cccc(F)c1-c1nnn[n-]1)c1noc(Cc2ccccc2)n1 ZINC000820460725 606429626 /nfs/dbraw/zinc/42/96/26/606429626.db2.gz AMFIGOLWFXPUOP-NSHDSACASA-N -1 3 365.372 3.153 20 0 FGADHM C[C@H](Nc1cccc(F)c1-c1nn[n-]n1)c1noc(Cc2ccccc2)n1 ZINC000820460725 606429628 /nfs/dbraw/zinc/42/96/28/606429628.db2.gz AMFIGOLWFXPUOP-NSHDSACASA-N -1 3 365.372 3.153 20 0 FGADHM Cc1cc([C@@H](C)NC(=O)CCc2ccc(-c3nnn[n-]3)cc2)ccc1F ZINC000822191190 606449958 /nfs/dbraw/zinc/44/99/58/606449958.db2.gz GTQBHPKCQATBQR-CYBMUJFWSA-N -1 3 353.401 3.124 20 0 FGADHM Cc1cc([C@@H](C)NC(=O)CCc2ccc(-c3nn[n-]n3)cc2)ccc1F ZINC000822191190 606449960 /nfs/dbraw/zinc/44/99/60/606449960.db2.gz GTQBHPKCQATBQR-CYBMUJFWSA-N -1 3 353.401 3.124 20 0 FGADHM O=C(c1cccc(-c2nnn[n-]2)c1)N1CCC(c2ccc(F)cc2)CC1 ZINC000823487490 606450482 /nfs/dbraw/zinc/45/04/82/606450482.db2.gz CZQLWPKBEOZTTJ-UHFFFAOYSA-N -1 3 351.385 3.026 20 0 FGADHM O=C(c1cccc(-c2nn[n-]n2)c1)N1CCC(c2ccc(F)cc2)CC1 ZINC000823487490 606450484 /nfs/dbraw/zinc/45/04/84/606450484.db2.gz CZQLWPKBEOZTTJ-UHFFFAOYSA-N -1 3 351.385 3.026 20 0 FGADHM CCc1ccc(CC)c(NC(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821481514 606459714 /nfs/dbraw/zinc/45/97/14/606459714.db2.gz KSWIITQDHAUWSN-CYBMUJFWSA-N -1 3 365.437 3.398 20 0 FGADHM O=C(Oc1ccccc1Oc1ccccn1)c1cc(-c2nnn[n-]2)cs1 ZINC000823454035 606466063 /nfs/dbraw/zinc/46/60/63/606466063.db2.gz JJLFXJOGWYMTCX-UHFFFAOYSA-N -1 3 365.374 3.335 20 0 FGADHM O=C(Oc1ccccc1Oc1ccccn1)c1cc(-c2nn[n-]n2)cs1 ZINC000823454035 606466065 /nfs/dbraw/zinc/46/60/65/606466065.db2.gz JJLFXJOGWYMTCX-UHFFFAOYSA-N -1 3 365.374 3.335 20 0 FGADHM CCOc1ccc([C@H]2CCCN2C(=O)c2cc(-c3nnn[n-]3)cs2)cc1 ZINC000821418024 606485157 /nfs/dbraw/zinc/48/51/57/606485157.db2.gz UWROOHKIZCAWLT-OAHLLOKOSA-N -1 3 369.450 3.304 20 0 FGADHM CCOc1ccc([C@H]2CCCN2C(=O)c2cc(-c3nn[n-]n3)cs2)cc1 ZINC000821418024 606485159 /nfs/dbraw/zinc/48/51/59/606485159.db2.gz UWROOHKIZCAWLT-OAHLLOKOSA-N -1 3 369.450 3.304 20 0 FGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N1CC(Cc2ccccc2Cl)C1 ZINC000823359201 606486668 /nfs/dbraw/zinc/48/66/68/606486668.db2.gz JZOFCNQGWVENBE-UHFFFAOYSA-N -1 3 368.828 3.227 20 0 FGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N1CC(Cc2ccccc2Cl)C1 ZINC000823359201 606486669 /nfs/dbraw/zinc/48/66/69/606486669.db2.gz JZOFCNQGWVENBE-UHFFFAOYSA-N -1 3 368.828 3.227 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1ccc(N2CCCCC2)cc1 ZINC000823104109 606487996 /nfs/dbraw/zinc/48/79/96/606487996.db2.gz RFAIVFDLCPPLDM-UHFFFAOYSA-N -1 3 362.437 3.038 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1ccc(N2CCCCC2)cc1 ZINC000823104109 606487997 /nfs/dbraw/zinc/48/79/97/606487997.db2.gz RFAIVFDLCPPLDM-UHFFFAOYSA-N -1 3 362.437 3.038 20 0 FGADHM C[C@H](NC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1ccc2c(c1)CCCC2 ZINC000820333458 606494879 /nfs/dbraw/zinc/49/48/79/606494879.db2.gz CJXYHEAZKSPJQQ-AWEZNQCLSA-N -1 3 361.449 3.165 20 0 FGADHM C[C@H](NC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1ccc2c(c1)CCCC2 ZINC000820333458 606494881 /nfs/dbraw/zinc/49/48/81/606494881.db2.gz CJXYHEAZKSPJQQ-AWEZNQCLSA-N -1 3 361.449 3.165 20 0 FGADHM CC(C)[C@@H](NC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC000820025936 606496750 /nfs/dbraw/zinc/49/67/50/606496750.db2.gz FQKPVSDZIKQJKX-GOSISDBHSA-N -1 3 353.401 3.062 20 0 FGADHM CC(C)[C@@H](NC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC000820025936 606496752 /nfs/dbraw/zinc/49/67/52/606496752.db2.gz FQKPVSDZIKQJKX-GOSISDBHSA-N -1 3 353.401 3.062 20 0 FGADHM O=C(N[C@H]1CCCC[C@H]1c1ccccc1)c1cc(-c2nnn[n-]2)cs1 ZINC000823150596 606497823 /nfs/dbraw/zinc/49/78/23/606497823.db2.gz QRSTYDLECKROHY-GJZGRUSLSA-N -1 3 353.451 3.384 20 0 FGADHM O=C(N[C@H]1CCCC[C@H]1c1ccccc1)c1cc(-c2nn[n-]n2)cs1 ZINC000823150596 606497825 /nfs/dbraw/zinc/49/78/25/606497825.db2.gz QRSTYDLECKROHY-GJZGRUSLSA-N -1 3 353.451 3.384 20 0 FGADHM CN(C(=O)c1ccc2ccc(Cl)cc2n1)c1cccc(-c2nnn[n-]2)c1 ZINC000821574316 606499116 /nfs/dbraw/zinc/49/91/16/606499116.db2.gz AVEWJUVRRLFYHV-UHFFFAOYSA-N -1 3 364.796 3.345 20 0 FGADHM CN(C(=O)c1ccc2ccc(Cl)cc2n1)c1cccc(-c2nn[n-]n2)c1 ZINC000821574316 606499117 /nfs/dbraw/zinc/49/91/17/606499117.db2.gz AVEWJUVRRLFYHV-UHFFFAOYSA-N -1 3 364.796 3.345 20 0 FGADHM C[C@H](c1ccccc1Cl)N(C)C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820571273 606504534 /nfs/dbraw/zinc/50/45/34/606504534.db2.gz XEKNMRFFVBXFNK-GFCCVEGCSA-N -1 3 355.829 3.282 20 0 FGADHM C[C@H](c1ccccc1Cl)N(C)C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820571273 606504535 /nfs/dbraw/zinc/50/45/35/606504535.db2.gz XEKNMRFFVBXFNK-GFCCVEGCSA-N -1 3 355.829 3.282 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N(C1CC1)[C@@H]1CCCc2ccccc21 ZINC000823088665 606505680 /nfs/dbraw/zinc/50/56/80/606505680.db2.gz ZSYBGPFQYSIJNH-HXUWFJFHSA-N -1 3 373.460 3.478 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N(C1CC1)[C@@H]1CCCc2ccccc21 ZINC000823088665 606505681 /nfs/dbraw/zinc/50/56/81/606505681.db2.gz ZSYBGPFQYSIJNH-HXUWFJFHSA-N -1 3 373.460 3.478 20 0 FGADHM O=C(N[C@@H]1CCCC[C@@H]1Cc1ccccc1)c1cc(-c2nnn[n-]2)cs1 ZINC000823150299 606508075 /nfs/dbraw/zinc/50/80/75/606508075.db2.gz NTDDTQWEJXROIJ-GDBMZVCRSA-N -1 3 367.478 3.460 20 0 FGADHM O=C(N[C@@H]1CCCC[C@@H]1Cc1ccccc1)c1cc(-c2nn[n-]n2)cs1 ZINC000823150299 606508076 /nfs/dbraw/zinc/50/80/76/606508076.db2.gz NTDDTQWEJXROIJ-GDBMZVCRSA-N -1 3 367.478 3.460 20 0 FGADHM O=C(Nc1cccc(CC(F)(F)F)c1)c1cc(-c2nnn[n-]2)cs1 ZINC000823364098 606519812 /nfs/dbraw/zinc/51/98/12/606519812.db2.gz ZLBTUFCGPIMXCO-UHFFFAOYSA-N -1 3 353.329 3.285 20 0 FGADHM O=C(Nc1cccc(CC(F)(F)F)c1)c1cc(-c2nn[n-]n2)cs1 ZINC000823364098 606519814 /nfs/dbraw/zinc/51/98/14/606519814.db2.gz ZLBTUFCGPIMXCO-UHFFFAOYSA-N -1 3 353.329 3.285 20 0 FGADHM O=C(COc1cccc(-c2nnn[n-]2)c1)N(CC1CCC1)c1ccccc1 ZINC000823040525 606552001 /nfs/dbraw/zinc/55/20/01/606552001.db2.gz MOROWHSHUGJQLM-UHFFFAOYSA-N -1 3 363.421 3.079 20 0 FGADHM O=C(COc1cccc(-c2nn[n-]n2)c1)N(CC1CCC1)c1ccccc1 ZINC000823040525 606552004 /nfs/dbraw/zinc/55/20/04/606552004.db2.gz MOROWHSHUGJQLM-UHFFFAOYSA-N -1 3 363.421 3.079 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H](C)c1ccc(F)cc1F ZINC000822220616 606575385 /nfs/dbraw/zinc/57/53/85/606575385.db2.gz YVPGVWNXAKDLOM-SNVBAGLBSA-N -1 3 358.352 3.336 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H](C)c1ccc(F)cc1F ZINC000822220616 606575387 /nfs/dbraw/zinc/57/53/87/606575387.db2.gz YVPGVWNXAKDLOM-SNVBAGLBSA-N -1 3 358.352 3.336 20 0 FGADHM C[C@H](NC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1)c1cccnc1 ZINC000737196589 606576930 /nfs/dbraw/zinc/57/69/30/606576930.db2.gz SERLEWVCKZHFCW-AWEZNQCLSA-N -1 3 370.416 3.420 20 0 FGADHM C[C@H](NC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1)c1cccnc1 ZINC000737196589 606576932 /nfs/dbraw/zinc/57/69/32/606576932.db2.gz SERLEWVCKZHFCW-AWEZNQCLSA-N -1 3 370.416 3.420 20 0 FGADHM CCc1ccc(CC)c(NC(=O)NCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000821480406 606577805 /nfs/dbraw/zinc/57/78/05/606577805.db2.gz BXVPWTFJLAABKW-UHFFFAOYSA-N -1 3 350.426 3.313 20 0 FGADHM CCc1ccc(CC)c(NC(=O)NCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000821480406 606577807 /nfs/dbraw/zinc/57/78/07/606577807.db2.gz BXVPWTFJLAABKW-UHFFFAOYSA-N -1 3 350.426 3.313 20 0 FGADHM CCCCCC(C)(C)C(=O)O[C@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000821043643 606615297 /nfs/dbraw/zinc/61/52/97/606615297.db2.gz RGNRHKORTCQGSE-CYBMUJFWSA-N -1 3 373.457 3.343 20 0 FGADHM CCCCCC(C)(C)C(=O)O[C@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000821043643 606615299 /nfs/dbraw/zinc/61/52/99/606615299.db2.gz RGNRHKORTCQGSE-CYBMUJFWSA-N -1 3 373.457 3.343 20 0 FGADHM O=C(C1CC(F)(F)C1)N(Cc1ccco1)c1ccccc1-c1nnn[n-]1 ZINC000822912256 606622348 /nfs/dbraw/zinc/62/23/48/606622348.db2.gz SXFDCXNWIWEBLT-UHFFFAOYSA-N -1 3 359.336 3.038 20 0 FGADHM O=C(C1CC(F)(F)C1)N(Cc1ccco1)c1ccccc1-c1nn[n-]n1 ZINC000822912256 606622349 /nfs/dbraw/zinc/62/23/49/606622349.db2.gz SXFDCXNWIWEBLT-UHFFFAOYSA-N -1 3 359.336 3.038 20 0 FGADHM Cc1ccnc(Oc2ccc(NC(=O)c3cccc(-c4nnn[n-]4)c3)cc2)n1 ZINC000822379340 606625842 /nfs/dbraw/zinc/62/58/42/606625842.db2.gz NNIVEOXGSRXFNC-UHFFFAOYSA-N -1 3 373.376 3.010 20 0 FGADHM Cc1ccnc(Oc2ccc(NC(=O)c3cccc(-c4nn[n-]n4)c3)cc2)n1 ZINC000822379340 606625844 /nfs/dbraw/zinc/62/58/44/606625844.db2.gz NNIVEOXGSRXFNC-UHFFFAOYSA-N -1 3 373.376 3.010 20 0 FGADHM O=C(c1ccc(-c2nnn[n-]2)cn1)N1CCCCC[C@@H]1/C=C\c1ccccc1 ZINC000823478744 606626451 /nfs/dbraw/zinc/62/64/51/606626451.db2.gz QQKIAPHSYJEKFV-SIKDUDHDSA-N -1 3 374.448 3.360 20 0 FGADHM O=C(c1ccc(-c2nn[n-]n2)cn1)N1CCCCC[C@@H]1/C=C\c1ccccc1 ZINC000823478744 606626453 /nfs/dbraw/zinc/62/64/53/606626453.db2.gz QQKIAPHSYJEKFV-SIKDUDHDSA-N -1 3 374.448 3.360 20 0 FGADHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)CC1CCCCCC1 ZINC000821689981 606626800 /nfs/dbraw/zinc/62/68/00/606626800.db2.gz UQVNDVFKDVMHQJ-UHFFFAOYSA-N -1 3 371.485 3.202 20 0 FGADHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)CC1CCCCCC1 ZINC000821689981 606626802 /nfs/dbraw/zinc/62/68/02/606626802.db2.gz UQVNDVFKDVMHQJ-UHFFFAOYSA-N -1 3 371.485 3.202 20 0 FGADHM Cc1ccc(CNC(=O)CSc2ccc(Cl)cc2-c2nnn[n-]2)cc1 ZINC000822237547 606629103 /nfs/dbraw/zinc/62/91/03/606629103.db2.gz YWCDMTBJYGCFAS-UHFFFAOYSA-N -1 3 373.869 3.237 20 0 FGADHM Cc1ccc(CNC(=O)CSc2ccc(Cl)cc2-c2nn[n-]n2)cc1 ZINC000822237547 606629105 /nfs/dbraw/zinc/62/91/05/606629105.db2.gz YWCDMTBJYGCFAS-UHFFFAOYSA-N -1 3 373.869 3.237 20 0 FGADHM CN(C)C(=O)[C@@H](Sc1ccc(Cl)cc1-c1nnn[n-]1)c1ccccc1 ZINC000821574747 606630167 /nfs/dbraw/zinc/63/01/67/606630167.db2.gz VQTPHPMSMONBTQ-HNNXBMFYSA-N -1 3 373.869 3.442 20 0 FGADHM CN(C)C(=O)[C@@H](Sc1ccc(Cl)cc1-c1nn[n-]n1)c1ccccc1 ZINC000821574747 606630168 /nfs/dbraw/zinc/63/01/68/606630168.db2.gz VQTPHPMSMONBTQ-HNNXBMFYSA-N -1 3 373.869 3.442 20 0 FGADHM C[C@@H](C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(Cl)s1 ZINC000819865465 606631033 /nfs/dbraw/zinc/63/10/33/606631033.db2.gz GDHFARRJWOVEBU-SSDOTTSWSA-N -1 3 351.794 3.463 20 0 FGADHM C[C@@H](C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(Cl)s1 ZINC000819865465 606631034 /nfs/dbraw/zinc/63/10/34/606631034.db2.gz GDHFARRJWOVEBU-SSDOTTSWSA-N -1 3 351.794 3.463 20 0 FGADHM Cc1ccc(F)c(NCC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000822239908 606660656 /nfs/dbraw/zinc/66/06/56/606660656.db2.gz KBCUTEMHDNZMAO-UHFFFAOYSA-N -1 3 360.780 3.018 20 0 FGADHM Cc1ccc(F)c(NCC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000822239908 606660657 /nfs/dbraw/zinc/66/06/57/606660657.db2.gz KBCUTEMHDNZMAO-UHFFFAOYSA-N -1 3 360.780 3.018 20 0 FGADHM Cc1sc(NC(=O)[C@H]2C[C@@H]2Cc2ccccc2)c(-c2nnn[n-]2)c1C ZINC000822556201 606664802 /nfs/dbraw/zinc/66/48/02/606664802.db2.gz ANKVZYKSCQURHA-KBPBESRZSA-N -1 3 353.451 3.362 20 0 FGADHM Cc1sc(NC(=O)[C@H]2C[C@@H]2Cc2ccccc2)c(-c2nn[n-]n2)c1C ZINC000822556201 606664803 /nfs/dbraw/zinc/66/48/03/606664803.db2.gz ANKVZYKSCQURHA-KBPBESRZSA-N -1 3 353.451 3.362 20 0 FGADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCC2)[C@H]1C[C@H]1Cc1ccccc1 ZINC000823382651 606664944 /nfs/dbraw/zinc/66/49/44/606664944.db2.gz BWQFMUZVFBFOGK-OCCSQVGLSA-N -1 3 365.462 3.234 20 0 FGADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCC2)[C@H]1C[C@H]1Cc1ccccc1 ZINC000823382651 606664945 /nfs/dbraw/zinc/66/49/45/606664945.db2.gz BWQFMUZVFBFOGK-OCCSQVGLSA-N -1 3 365.462 3.234 20 0 FGADHM Cc1nc(CC(C)C)c(C(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000822437060 606667004 /nfs/dbraw/zinc/66/70/04/606667004.db2.gz VFDMVXDNOQUTDN-NSHDSACASA-N -1 3 370.482 3.321 20 0 FGADHM Cc1nc(CC(C)C)c(C(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000822437060 606667005 /nfs/dbraw/zinc/66/70/05/606667005.db2.gz VFDMVXDNOQUTDN-NSHDSACASA-N -1 3 370.482 3.321 20 0 FGADHM CN(CCCCc1ccccc1)C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821599420 606671256 /nfs/dbraw/zinc/67/12/56/606671256.db2.gz SPABOEDPHJFGMC-UHFFFAOYSA-N -1 3 371.391 3.240 20 0 FGADHM CN(CCCCc1ccccc1)C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821599420 606671257 /nfs/dbraw/zinc/67/12/57/606671257.db2.gz SPABOEDPHJFGMC-UHFFFAOYSA-N -1 3 371.391 3.240 20 0 FGADHM CCc1nc2cc(NC(=O)c3c(F)cc(-c4nnn[n-]4)cc3F)ccc2o1 ZINC000821510010 606671734 /nfs/dbraw/zinc/67/17/34/606671734.db2.gz SHIZVUXAZIAMFQ-UHFFFAOYSA-N -1 3 370.319 3.101 20 0 FGADHM CCc1nc2cc(NC(=O)c3c(F)cc(-c4nn[n-]n4)cc3F)ccc2o1 ZINC000821510010 606671735 /nfs/dbraw/zinc/67/17/35/606671735.db2.gz SHIZVUXAZIAMFQ-UHFFFAOYSA-N -1 3 370.319 3.101 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1cc(F)cc(C(F)(F)F)c1 ZINC000823338090 606677949 /nfs/dbraw/zinc/67/79/49/606677949.db2.gz YARNXXAPGWEJCY-UHFFFAOYSA-N -1 3 369.253 3.416 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1cc(F)cc(C(F)(F)F)c1 ZINC000823338090 606677950 /nfs/dbraw/zinc/67/79/50/606677950.db2.gz YARNXXAPGWEJCY-UHFFFAOYSA-N -1 3 369.253 3.416 20 0 FGADHM CSc1ccc(N(C)C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1 ZINC000821985053 606679347 /nfs/dbraw/zinc/67/93/47/606679347.db2.gz XURYSDAEHKHTPX-UHFFFAOYSA-N -1 3 361.377 3.143 20 0 FGADHM CSc1ccc(N(C)C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1 ZINC000821985053 606679348 /nfs/dbraw/zinc/67/93/48/606679348.db2.gz XURYSDAEHKHTPX-UHFFFAOYSA-N -1 3 361.377 3.143 20 0 FGADHM O=C(N[C@H](CC1CC1)c1ccccc1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823139684 606683114 /nfs/dbraw/zinc/68/31/14/606683114.db2.gz JLORPVYELRULSP-MRXNPFEDSA-N -1 3 369.375 3.416 20 0 FGADHM O=C(N[C@H](CC1CC1)c1ccccc1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823139684 606683115 /nfs/dbraw/zinc/68/31/15/606683115.db2.gz JLORPVYELRULSP-MRXNPFEDSA-N -1 3 369.375 3.416 20 0 FGADHM C[C@@]1(c2ccccc2)CCN(C(=S)Nc2ccccc2-c2nnn[n-]2)C1 ZINC000820635208 606694700 /nfs/dbraw/zinc/69/47/00/606694700.db2.gz KGLFEQVSWZKCBG-LJQANCHMSA-N -1 3 364.478 3.227 20 0 FGADHM C[C@@]1(c2ccccc2)CCN(C(=S)Nc2ccccc2-c2nn[n-]n2)C1 ZINC000820635208 606694701 /nfs/dbraw/zinc/69/47/01/606694701.db2.gz KGLFEQVSWZKCBG-LJQANCHMSA-N -1 3 364.478 3.227 20 0 FGADHM Fc1ccc([C@@H]2CCN(C(=S)Nc3ccccc3-c3nnn[n-]3)C2)cc1 ZINC000822767086 606695302 /nfs/dbraw/zinc/69/53/02/606695302.db2.gz WJJYMIQKEXZWCX-CYBMUJFWSA-N -1 3 368.441 3.192 20 0 FGADHM Fc1ccc([C@@H]2CCN(C(=S)Nc3ccccc3-c3nn[n-]n3)C2)cc1 ZINC000822767086 606695303 /nfs/dbraw/zinc/69/53/03/606695303.db2.gz WJJYMIQKEXZWCX-CYBMUJFWSA-N -1 3 368.441 3.192 20 0 FGADHM CCOC(=O)/C=C\CSc1nc(-c2ccccc2)ccc1-c1nnn[n-]1 ZINC000821325343 606706046 /nfs/dbraw/zinc/70/60/46/606706046.db2.gz DRTBCWWUZZPFFE-TWGQIWQCSA-N -1 3 367.434 3.140 20 0 FGADHM CCOC(=O)/C=C\CSc1nc(-c2ccccc2)ccc1-c1nn[n-]n1 ZINC000821325343 606706048 /nfs/dbraw/zinc/70/60/48/606706048.db2.gz DRTBCWWUZZPFFE-TWGQIWQCSA-N -1 3 367.434 3.140 20 0 FGADHM CSCCNC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000821970202 606776110 /nfs/dbraw/zinc/77/61/10/606776110.db2.gz LDZHCMRVKULFNC-UHFFFAOYSA-N -1 3 369.450 3.060 20 0 FGADHM CSCCNC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000821970202 606776112 /nfs/dbraw/zinc/77/61/12/606776112.db2.gz LDZHCMRVKULFNC-UHFFFAOYSA-N -1 3 369.450 3.060 20 0 FGADHM CC(C)n1ncc2cc(COc3cc(Cl)ccc3-c3nnn[n-]3)cnc21 ZINC000820214650 606784616 /nfs/dbraw/zinc/78/46/16/606784616.db2.gz LLKNAMVYDUJTOX-UHFFFAOYSA-N -1 3 369.816 3.425 20 0 FGADHM CC(C)n1ncc2cc(COc3cc(Cl)ccc3-c3nn[n-]n3)cnc21 ZINC000820214650 606784617 /nfs/dbraw/zinc/78/46/17/606784617.db2.gz LLKNAMVYDUJTOX-UHFFFAOYSA-N -1 3 369.816 3.425 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)NC[C@@H]2C[C@@H]2C)cc1 ZINC000822144765 606786123 /nfs/dbraw/zinc/78/61/23/606786123.db2.gz NPBSBTAYBIQGSK-LRDDRELGSA-N -1 3 363.421 3.353 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)NC[C@@H]2C[C@@H]2C)cc1 ZINC000822144765 606786124 /nfs/dbraw/zinc/78/61/24/606786124.db2.gz NPBSBTAYBIQGSK-LRDDRELGSA-N -1 3 363.421 3.353 20 0 FGADHM Cc1ccc(CC(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c(Cl)c1 ZINC000822232771 606787340 /nfs/dbraw/zinc/78/73/40/606787340.db2.gz ASKMVGOZOPZAJR-GFCCVEGCSA-N -1 3 355.829 3.248 20 0 FGADHM Cc1ccc(CC(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC000822232771 606787341 /nfs/dbraw/zinc/78/73/41/606787341.db2.gz ASKMVGOZOPZAJR-GFCCVEGCSA-N -1 3 355.829 3.248 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)NCc2ccc[nH]2)cc1 ZINC000822145733 606796774 /nfs/dbraw/zinc/79/67/74/606796774.db2.gz SVPQXEOXTUFVNI-UHFFFAOYSA-N -1 3 374.404 3.226 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)NCc2ccc[nH]2)cc1 ZINC000822145733 606796775 /nfs/dbraw/zinc/79/67/75/606796775.db2.gz SVPQXEOXTUFVNI-UHFFFAOYSA-N -1 3 374.404 3.226 20 0 FGADHM O=C(CC1CCSCC1)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000822945434 606809942 /nfs/dbraw/zinc/80/99/42/606809942.db2.gz FCUXTVCHEJFEGQ-UHFFFAOYSA-N -1 3 363.512 3.279 20 0 FGADHM O=C(CC1CCSCC1)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000822945434 606809943 /nfs/dbraw/zinc/80/99/43/606809943.db2.gz FCUXTVCHEJFEGQ-UHFFFAOYSA-N -1 3 363.512 3.279 20 0 FGADHM CC[C@@H]1CCC[C@H]1NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000820972958 606837719 /nfs/dbraw/zinc/83/77/19/606837719.db2.gz SHHFDGJMROPJQA-NVXWUHKLSA-N -1 3 356.474 3.365 20 0 FGADHM CC[C@@H]1CCC[C@H]1NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000820972958 606837721 /nfs/dbraw/zinc/83/77/21/606837721.db2.gz SHHFDGJMROPJQA-NVXWUHKLSA-N -1 3 356.474 3.365 20 0 FGADHM C[C@@H]1CC[C@H](C(=O)Oc2ccc(-c3ccc(-c4nnn[n-]4)cc3)cc2)O1 ZINC000820674666 606838508 /nfs/dbraw/zinc/83/85/08/606838508.db2.gz FNJMMGQOPURRSF-SJKOYZFVSA-N -1 3 350.378 3.007 20 0 FGADHM C[C@@H]1CC[C@H](C(=O)Oc2ccc(-c3ccc(-c4nn[n-]n4)cc3)cc2)O1 ZINC000820674666 606838510 /nfs/dbraw/zinc/83/85/10/606838510.db2.gz FNJMMGQOPURRSF-SJKOYZFVSA-N -1 3 350.378 3.007 20 0 FGADHM CC[C@H]1CC[C@H](C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCC3)O1 ZINC000820972632 606842125 /nfs/dbraw/zinc/84/21/25/606842125.db2.gz PWOWBFMNIMVYKW-CMPLNLGQSA-N -1 3 361.471 3.093 20 0 FGADHM CC[C@H]1CC[C@H](C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCC3)O1 ZINC000820972632 606842127 /nfs/dbraw/zinc/84/21/27/606842127.db2.gz PWOWBFMNIMVYKW-CMPLNLGQSA-N -1 3 361.471 3.093 20 0 FGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)c1ccc(F)c(F)c1F ZINC000819975901 606847331 /nfs/dbraw/zinc/84/73/31/606847331.db2.gz FFRJBFYDYASUKB-UHFFFAOYSA-N -1 3 364.331 3.093 20 0 FGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)c1ccc(F)c(F)c1F ZINC000819975901 606847332 /nfs/dbraw/zinc/84/73/32/606847332.db2.gz FFRJBFYDYASUKB-UHFFFAOYSA-N -1 3 364.331 3.093 20 0 FGADHM c1ccc(-c2nnn[n-]2)c(COc2cccc(CNc3cccnc3)c2)c1 ZINC000823816736 606859516 /nfs/dbraw/zinc/85/95/16/606859516.db2.gz WYKNJNIWZYRJRZ-UHFFFAOYSA-N -1 3 358.405 3.453 20 0 FGADHM c1ccc(-c2nn[n-]n2)c(COc2cccc(CNc3cccnc3)c2)c1 ZINC000823816736 606859517 /nfs/dbraw/zinc/85/95/17/606859517.db2.gz WYKNJNIWZYRJRZ-UHFFFAOYSA-N -1 3 358.405 3.453 20 0 FGADHM Cc1nc(COC(=O)c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)cs1 ZINC000822444605 606861963 /nfs/dbraw/zinc/86/19/63/606861963.db2.gz VBEDAPFOTMPLPR-UHFFFAOYSA-N -1 3 369.328 3.007 20 0 FGADHM Cc1nc(COC(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)cs1 ZINC000822444605 606861964 /nfs/dbraw/zinc/86/19/64/606861964.db2.gz VBEDAPFOTMPLPR-UHFFFAOYSA-N -1 3 369.328 3.007 20 0 FGADHM C[C@H]1CC[C@@H](C(=O)Nc2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)O1 ZINC000820675809 606874480 /nfs/dbraw/zinc/87/44/80/606874480.db2.gz KXTVLLYFNWVICB-SJCJKPOMSA-N -1 3 365.393 3.165 20 0 FGADHM C[C@H]1CC[C@@H](C(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)O1 ZINC000820675809 606874481 /nfs/dbraw/zinc/87/44/81/606874481.db2.gz KXTVLLYFNWVICB-SJCJKPOMSA-N -1 3 365.393 3.165 20 0 FGADHM CC(C)CCOCCOC(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000820076853 606887542 /nfs/dbraw/zinc/88/75/42/606887542.db2.gz UZJHSSLBPSJQTF-UHFFFAOYSA-N -1 3 372.347 3.105 20 0 FGADHM CC(C)CCOCCOC(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000820076853 606887545 /nfs/dbraw/zinc/88/75/45/606887545.db2.gz UZJHSSLBPSJQTF-UHFFFAOYSA-N -1 3 372.347 3.105 20 0 FGADHM C[C@H]1CC[C@@H](C(=O)Oc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)O1 ZINC000820684792 606924583 /nfs/dbraw/zinc/92/45/83/606924583.db2.gz SDXKUSNDSHRCGV-SJCJKPOMSA-N -1 3 366.377 3.132 20 0 FGADHM C[C@H]1CC[C@@H](C(=O)Oc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)O1 ZINC000820684792 606924585 /nfs/dbraw/zinc/92/45/85/606924585.db2.gz SDXKUSNDSHRCGV-SJCJKPOMSA-N -1 3 366.377 3.132 20 0 FGADHM CC(C)[C@H](C)OC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000820015857 606926067 /nfs/dbraw/zinc/92/60/67/606926067.db2.gz HDTLBAFMCQGCCI-LBPRGKRZSA-N -1 3 353.382 3.255 20 0 FGADHM CC(C)[C@H](C)OC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000820015857 606926068 /nfs/dbraw/zinc/92/60/68/606926068.db2.gz HDTLBAFMCQGCCI-LBPRGKRZSA-N -1 3 353.382 3.255 20 0 FGADHM CCc1nnc(NCc2ccc(F)c(Cl)c2)c(-c2nnn[n-]2)c1CC ZINC000821541920 606929383 /nfs/dbraw/zinc/92/93/83/606929383.db2.gz CXOMCZBOLVYERF-UHFFFAOYSA-N -1 3 361.812 3.186 20 0 FGADHM CCc1nnc(NCc2ccc(F)c(Cl)c2)c(-c2nn[n-]n2)c1CC ZINC000821541920 606929385 /nfs/dbraw/zinc/92/93/85/606929385.db2.gz CXOMCZBOLVYERF-UHFFFAOYSA-N -1 3 361.812 3.186 20 0 FGADHM CC(C)C1CCC(NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000820356963 606931541 /nfs/dbraw/zinc/93/15/41/606931541.db2.gz DMQCVWZHWIIVAI-CBCUQQMYSA-N -1 3 356.474 3.442 20 0 FGADHM CC(C)C1CCC(NC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000820356963 606931543 /nfs/dbraw/zinc/93/15/43/606931543.db2.gz DMQCVWZHWIIVAI-CBCUQQMYSA-N -1 3 356.474 3.442 20 0 FGADHM CC(C)OC1CCN(c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)CC1 ZINC000820141771 606933482 /nfs/dbraw/zinc/93/34/82/606933482.db2.gz AEDQWAULDLBWLS-UHFFFAOYSA-N -1 3 355.364 3.279 20 0 FGADHM CC(C)OC1CCN(c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)CC1 ZINC000820141771 606933483 /nfs/dbraw/zinc/93/34/83/606933483.db2.gz AEDQWAULDLBWLS-UHFFFAOYSA-N -1 3 355.364 3.279 20 0 FGADHM CCc1nnc(N2CCSC3(CCCCC3)C2)c(-c2nnn[n-]2)c1CC ZINC000821528614 606943219 /nfs/dbraw/zinc/94/32/19/606943219.db2.gz QCRRNODBMKWOEF-UHFFFAOYSA-N -1 3 373.530 3.038 20 0 FGADHM CCc1nnc(N2CCSC3(CCCCC3)C2)c(-c2nn[n-]n2)c1CC ZINC000821528614 606943220 /nfs/dbraw/zinc/94/32/20/606943220.db2.gz QCRRNODBMKWOEF-UHFFFAOYSA-N -1 3 373.530 3.038 20 0 FGADHM CC(C)(C)c1nnc(CNc2cc(-c3nnn[n-]3)c3ccccc3n2)s1 ZINC000819971292 606945821 /nfs/dbraw/zinc/94/58/21/606945821.db2.gz HVAJVWWPTVVINM-UHFFFAOYSA-N -1 3 366.454 3.176 20 0 FGADHM CC(C)(C)c1nnc(CNc2cc(-c3nn[n-]n3)c3ccccc3n2)s1 ZINC000819971292 606945823 /nfs/dbraw/zinc/94/58/23/606945823.db2.gz HVAJVWWPTVVINM-UHFFFAOYSA-N -1 3 366.454 3.176 20 0 FGADHM C[C@H]1CC[C@H](C(=O)Nc2sc(-c3ccccc3)cc2-c2nnn[n-]2)O1 ZINC000820678649 606957430 /nfs/dbraw/zinc/95/74/30/606957430.db2.gz WTPARTVHAWLSCP-GXFFZTMASA-N -1 3 355.423 3.101 20 0 FGADHM C[C@H]1CC[C@H](C(=O)Nc2sc(-c3ccccc3)cc2-c2nn[n-]n2)O1 ZINC000820678649 606957432 /nfs/dbraw/zinc/95/74/32/606957432.db2.gz WTPARTVHAWLSCP-GXFFZTMASA-N -1 3 355.423 3.101 20 0 FGADHM CC[C@]1(C)CCN(C(=O)c2cc(C3CC3)nc(SC)c2-c2nnn[n-]2)C1 ZINC000820950370 606957734 /nfs/dbraw/zinc/95/77/34/606957734.db2.gz NDNYGMYCWSXDQE-GOSISDBHSA-N -1 3 372.498 3.123 20 0 FGADHM CCc1ccc(CC(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)cc1 ZINC000821481755 606960252 /nfs/dbraw/zinc/96/02/52/606960252.db2.gz NBXBXNSRRILLQM-UHFFFAOYSA-N -1 3 355.829 3.288 20 0 FGADHM CCc1ccc(CC(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)cc1 ZINC000821481755 606960254 /nfs/dbraw/zinc/96/02/54/606960254.db2.gz NBXBXNSRRILLQM-UHFFFAOYSA-N -1 3 355.829 3.288 20 0 FGADHM C[C@H]1CCCC[C@@H]1OCC(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000820703960 606962043 /nfs/dbraw/zinc/96/20/43/606962043.db2.gz KRMMZUYRHPVOTK-NHYWBVRUSA-N -1 3 363.849 3.078 20 0 FGADHM C[C@H]1CCCC[C@@H]1OCC(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000820703960 606962044 /nfs/dbraw/zinc/96/20/44/606962044.db2.gz KRMMZUYRHPVOTK-NHYWBVRUSA-N -1 3 363.849 3.078 20 0 FGADHM CCC[C@H](NC(=O)c1cc(-c2nnn[n-]2)cs1)c1ccc(F)cc1F ZINC000821023091 606982585 /nfs/dbraw/zinc/98/25/85/606982585.db2.gz WAGFQZDCHJTCPF-ZDUSSCGKSA-N -1 3 363.393 3.478 20 0 FGADHM CCC[C@H](NC(=O)c1cc(-c2nn[n-]n2)cs1)c1ccc(F)cc1F ZINC000821023091 606982586 /nfs/dbraw/zinc/98/25/86/606982586.db2.gz WAGFQZDCHJTCPF-ZDUSSCGKSA-N -1 3 363.393 3.478 20 0 FGADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccc(-c2ccco2)s1 ZINC000821609566 606994228 /nfs/dbraw/zinc/99/42/28/606994228.db2.gz CMOVWAUFAJPGDQ-UHFFFAOYSA-N -1 3 365.418 3.460 20 0 FGADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccc(-c2ccco2)s1 ZINC000821609566 606994229 /nfs/dbraw/zinc/99/42/29/606994229.db2.gz CMOVWAUFAJPGDQ-UHFFFAOYSA-N -1 3 365.418 3.460 20 0 FGADHM CCN(C(=O)Cc1nc(C)sc1C)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821153832 607000844 /nfs/dbraw/zinc/00/08/44/607000844.db2.gz DUDHEWAGBSKQEQ-NSHDSACASA-N -1 3 370.482 3.092 20 0 FGADHM CCN(C(=O)Cc1nc(C)sc1C)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821153832 607000845 /nfs/dbraw/zinc/00/08/45/607000845.db2.gz DUDHEWAGBSKQEQ-NSHDSACASA-N -1 3 370.482 3.092 20 0 FGADHM Cc1nc(NC(=O)[C@@H](C)Sc2cccc(-c3nnn[n-]3)c2)sc1C ZINC000822449980 607012319 /nfs/dbraw/zinc/01/23/19/607012319.db2.gz XNVSMPFQENCRCE-SNVBAGLBSA-N -1 3 360.468 3.059 20 0 FGADHM Cc1nc(NC(=O)[C@@H](C)Sc2cccc(-c3nn[n-]n3)c2)sc1C ZINC000822449980 607012320 /nfs/dbraw/zinc/01/23/20/607012320.db2.gz XNVSMPFQENCRCE-SNVBAGLBSA-N -1 3 360.468 3.059 20 0 FGADHM Cc1c([C@@H](C)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)nnn1-c1ccccc1 ZINC000822020822 607016130 /nfs/dbraw/zinc/01/61/30/607016130.db2.gz KHVACAFANIMLPV-UONOGXRCSA-N -1 3 374.452 3.168 20 0 FGADHM CC(C)CO[C@@H](C)c1noc(CSc2cccc(-c3nnn[n-]3)c2)n1 ZINC000820096614 607016381 /nfs/dbraw/zinc/01/63/81/607016381.db2.gz CXOABMGKNVDQNR-NSHDSACASA-N -1 3 360.443 3.276 20 0 FGADHM CC(C)CO[C@@H](C)c1noc(CSc2cccc(-c3nn[n-]n3)c2)n1 ZINC000820096614 607016383 /nfs/dbraw/zinc/01/63/83/607016383.db2.gz CXOABMGKNVDQNR-NSHDSACASA-N -1 3 360.443 3.276 20 0 FGADHM O=C(CSc1cccc(-c2nnn[n-]2)c1)Nc1ccc2c(c1)CCC2 ZINC000823071010 607016560 /nfs/dbraw/zinc/01/65/60/607016560.db2.gz XJSPKJOYJPUVRE-UHFFFAOYSA-N -1 3 351.435 3.086 20 0 FGADHM O=C(CSc1cccc(-c2nn[n-]n2)c1)Nc1ccc2c(c1)CCC2 ZINC000823071010 607016562 /nfs/dbraw/zinc/01/65/62/607016562.db2.gz XJSPKJOYJPUVRE-UHFFFAOYSA-N -1 3 351.435 3.086 20 0 FGADHM Fc1ccc(-c2nnn[n-]2)c(CSc2nnc(-c3cccs3)o2)c1 ZINC000822757639 607038224 /nfs/dbraw/zinc/03/82/24/607038224.db2.gz AVACXBBFIHFCJY-UHFFFAOYSA-N -1 3 360.399 3.410 20 0 FGADHM Fc1ccc(-c2nn[n-]n2)c(CSc2nnc(-c3cccs3)o2)c1 ZINC000822757639 607038226 /nfs/dbraw/zinc/03/82/26/607038226.db2.gz AVACXBBFIHFCJY-UHFFFAOYSA-N -1 3 360.399 3.410 20 0 FGADHM c1ccc2nc(NCC[C@H]3COc4ccccc4O3)c(-c3nnn[n-]3)cc2c1 ZINC000823802657 607039763 /nfs/dbraw/zinc/03/97/63/607039763.db2.gz WVSYOILJGVGGCL-AWEZNQCLSA-N -1 3 374.404 3.057 20 0 FGADHM c1ccc2nc(NCC[C@H]3COc4ccccc4O3)c(-c3nn[n-]n3)cc2c1 ZINC000823802657 607039765 /nfs/dbraw/zinc/03/97/65/607039765.db2.gz WVSYOILJGVGGCL-AWEZNQCLSA-N -1 3 374.404 3.057 20 0 FGADHM COc1ccc2c(c1)[C@H](NCc1ccc(-c3nn[n-]n3)cc1F)CCCO2 ZINC000821849410 607056264 /nfs/dbraw/zinc/05/62/64/607056264.db2.gz HOESORNCJCRHPL-QGZVFWFLSA-N -1 3 369.400 3.018 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NCCc1c(C)cccc1C ZINC000822220117 607067541 /nfs/dbraw/zinc/06/75/41/607067541.db2.gz DQMVPFURDRYDPD-UHFFFAOYSA-N -1 3 350.426 3.156 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NCCc1c(C)cccc1C ZINC000822220117 607067542 /nfs/dbraw/zinc/06/75/42/607067542.db2.gz DQMVPFURDRYDPD-UHFFFAOYSA-N -1 3 350.426 3.156 20 0 FGADHM CC1(C)Cc2cc(NC(=O)C=Cc3ccccc3-c3nnn[n-]3)ccc2O1 ZINC000820606725 607091778 /nfs/dbraw/zinc/09/17/78/607091778.db2.gz AUKFQXAXGJRDKL-YFHOEESVSA-N -1 3 361.405 3.232 20 0 FGADHM CC1(C)Cc2cc(NC(=O)C=Cc3ccccc3-c3nn[n-]n3)ccc2O1 ZINC000820606725 607091779 /nfs/dbraw/zinc/09/17/79/607091779.db2.gz AUKFQXAXGJRDKL-YFHOEESVSA-N -1 3 361.405 3.232 20 0 FGADHM FC1(F)CCC[C@H](NC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000822736977 607121221 /nfs/dbraw/zinc/12/12/21/607121221.db2.gz NDCIOJKWOFKDCG-VIFPVBQESA-N -1 3 372.832 3.384 20 0 FGADHM FC1(F)CCC[C@H](NC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000822736977 607121223 /nfs/dbraw/zinc/12/12/23/607121223.db2.gz NDCIOJKWOFKDCG-VIFPVBQESA-N -1 3 372.832 3.384 20 0 FGADHM C[C@@H]1CN(Cc2cc(F)ccc2-c2nnn[n-]2)C[C@H](c2ccsc2)O1 ZINC000820758798 607122826 /nfs/dbraw/zinc/12/28/26/607122826.db2.gz DEEJNNPBIITMEG-BDJLRTHQSA-N -1 3 359.430 3.029 20 0 FGADHM C[C@@H]1CN(Cc2cc(F)ccc2-c2nn[n-]n2)C[C@H](c2ccsc2)O1 ZINC000820758798 607122828 /nfs/dbraw/zinc/12/28/28/607122828.db2.gz DEEJNNPBIITMEG-BDJLRTHQSA-N -1 3 359.430 3.029 20 0 FGADHM Cc1cc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)c(Cl)cc1F ZINC000822176622 607125696 /nfs/dbraw/zinc/12/56/96/607125696.db2.gz NDIXTBAWYVRJAI-UHFFFAOYSA-N -1 3 363.755 3.037 20 0 FGADHM Cc1cc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)c(Cl)cc1F ZINC000822176622 607125697 /nfs/dbraw/zinc/12/56/97/607125697.db2.gz NDIXTBAWYVRJAI-UHFFFAOYSA-N -1 3 363.755 3.037 20 0 FGADHM Cc1ccc(NC(=O)[C@H](C)Oc2ccc(-c3nnn[n-]3)cc2F)cc1C ZINC000822242698 607136683 /nfs/dbraw/zinc/13/66/83/607136683.db2.gz UVOKTBZQDCEBQH-LBPRGKRZSA-N -1 3 355.373 3.029 20 0 FGADHM Cc1ccc(NC(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2F)cc1C ZINC000822242698 607136685 /nfs/dbraw/zinc/13/66/85/607136685.db2.gz UVOKTBZQDCEBQH-LBPRGKRZSA-N -1 3 355.373 3.029 20 0 FGADHM CN(C(=O)/C=C/SCc1ccco1)c1ccc(-c2nnn[n-]2)cc1F ZINC000821569832 607143935 /nfs/dbraw/zinc/14/39/35/607143935.db2.gz XMFIHAJLXSDZED-SOFGYWHQSA-N -1 3 359.386 3.009 20 0 FGADHM CN(C(=O)/C=C/SCc1ccco1)c1ccc(-c2nn[n-]n2)cc1F ZINC000821569832 607143937 /nfs/dbraw/zinc/14/39/37/607143937.db2.gz XMFIHAJLXSDZED-SOFGYWHQSA-N -1 3 359.386 3.009 20 0 FGADHM Cc1ccccc1NC(=O)CCSc1ccc(-c2nnn[n-]2)cc1F ZINC000822362495 607168872 /nfs/dbraw/zinc/16/88/72/607168872.db2.gz WOQAUYOBJICULJ-UHFFFAOYSA-N -1 3 357.414 3.435 20 0 FGADHM Cc1ccccc1NC(=O)CCSc1ccc(-c2nn[n-]n2)cc1F ZINC000822362495 607168873 /nfs/dbraw/zinc/16/88/73/607168873.db2.gz WOQAUYOBJICULJ-UHFFFAOYSA-N -1 3 357.414 3.435 20 0 FGADHM Cc1c(F)cccc1NC(=O)CCSc1cccc(-c2nnn[n-]2)c1 ZINC000822035574 607169950 /nfs/dbraw/zinc/16/99/50/607169950.db2.gz WVLSOFXYFRUZMX-UHFFFAOYSA-N -1 3 357.414 3.435 20 0 FGADHM Cc1c(F)cccc1NC(=O)CCSc1cccc(-c2nn[n-]n2)c1 ZINC000822035574 607169951 /nfs/dbraw/zinc/16/99/51/607169951.db2.gz WVLSOFXYFRUZMX-UHFFFAOYSA-N -1 3 357.414 3.435 20 0 FGADHM O=C1NCCC[C@H]1SCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000823547288 607172706 /nfs/dbraw/zinc/17/27/06/607172706.db2.gz HRSSDRZAXQNOLW-QGZVFWFLSA-N -1 3 365.462 3.046 20 0 FGADHM O=C1NCCC[C@H]1SCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000823547288 607172707 /nfs/dbraw/zinc/17/27/07/607172707.db2.gz HRSSDRZAXQNOLW-QGZVFWFLSA-N -1 3 365.462 3.046 20 0 FGADHM Cc1c(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)oc2c1C(=O)CCC2 ZINC000822020612 607189159 /nfs/dbraw/zinc/18/91/59/607189159.db2.gz FRKRNMRLWZJLGR-UHFFFAOYSA-N -1 3 371.784 3.193 20 0 FGADHM Cc1c(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)oc2c1C(=O)CCC2 ZINC000822020612 607189160 /nfs/dbraw/zinc/18/91/60/607189160.db2.gz FRKRNMRLWZJLGR-UHFFFAOYSA-N -1 3 371.784 3.193 20 0 FGADHM O=C(CCCOCc1ccccc1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000822958691 607189580 /nfs/dbraw/zinc/18/95/80/607189580.db2.gz BQLAOLMTOWKNNQ-UHFFFAOYSA-N -1 3 371.828 3.456 20 0 FGADHM O=C(CCCOCc1ccccc1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822958691 607189581 /nfs/dbraw/zinc/18/95/81/607189581.db2.gz BQLAOLMTOWKNNQ-UHFFFAOYSA-N -1 3 371.828 3.456 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1cc(=O)[nH]c2ccccc21 ZINC000823319023 607191381 /nfs/dbraw/zinc/19/13/81/607191381.db2.gz OWJMIGNJJGQQNE-UHFFFAOYSA-N -1 3 366.768 3.026 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1cc(=O)[nH]c2ccccc21 ZINC000823319023 607191382 /nfs/dbraw/zinc/19/13/82/607191382.db2.gz OWJMIGNJJGQQNE-UHFFFAOYSA-N -1 3 366.768 3.026 20 0 FGADHM CS[C@H]1CCC[C@H](NC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC000821950516 607194883 /nfs/dbraw/zinc/19/48/83/607194883.db2.gz OJZPGDVNNYYWFF-QWRGUYRKSA-N -1 3 366.878 3.316 20 0 FGADHM CS[C@H]1CCC[C@H](NC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC000821950516 607194884 /nfs/dbraw/zinc/19/48/84/607194884.db2.gz OJZPGDVNNYYWFF-QWRGUYRKSA-N -1 3 366.878 3.316 20 0 FGADHM O=C(NCCCF)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000823187238 607195123 /nfs/dbraw/zinc/19/51/23/607195123.db2.gz HJNKKLVOEQWMTR-UHFFFAOYSA-N -1 3 356.361 3.140 20 0 FGADHM O=C(NCCCF)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000823187238 607195124 /nfs/dbraw/zinc/19/51/24/607195124.db2.gz HJNKKLVOEQWMTR-UHFFFAOYSA-N -1 3 356.361 3.140 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC000823319625 607196184 /nfs/dbraw/zinc/19/61/84/607196184.db2.gz WGOBQFRGTRZFHU-IUODEOHRSA-N -1 3 372.791 3.337 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC000823319625 607196185 /nfs/dbraw/zinc/19/61/85/607196185.db2.gz WGOBQFRGTRZFHU-IUODEOHRSA-N -1 3 372.791 3.337 20 0 FGADHM C[C@@H](CCc1cccn1C)NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820253262 607198014 /nfs/dbraw/zinc/19/80/14/607198014.db2.gz HNLAUOPJVBAVMY-NSHDSACASA-N -1 3 373.848 3.001 20 0 FGADHM C[C@@H](CCc1cccn1C)NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820253262 607198015 /nfs/dbraw/zinc/19/80/15/607198015.db2.gz HNLAUOPJVBAVMY-NSHDSACASA-N -1 3 373.848 3.001 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N1CCC[C@H](C(F)(F)F)C1 ZINC000823313458 607204040 /nfs/dbraw/zinc/20/40/40/607204040.db2.gz BQJAAKVAJRVGSI-VIFPVBQESA-N -1 3 374.754 3.326 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N1CCC[C@H](C(F)(F)F)C1 ZINC000823313458 607204041 /nfs/dbraw/zinc/20/40/41/607204041.db2.gz BQJAAKVAJRVGSI-VIFPVBQESA-N -1 3 374.754 3.326 20 0 FGADHM COc1ccccc1[C@H](NCc1cc(-c2nnn[n-]2)cs1)c1ccco1 ZINC000821882730 607229882 /nfs/dbraw/zinc/22/98/82/607229882.db2.gz JFPASFBQMZQQRB-KRWDZBQOSA-N -1 3 367.434 3.409 20 0 FGADHM COc1ccccc1[C@H](NCc1cc(-c2nn[n-]n2)cs1)c1ccco1 ZINC000821882730 607229883 /nfs/dbraw/zinc/22/98/83/607229883.db2.gz JFPASFBQMZQQRB-KRWDZBQOSA-N -1 3 367.434 3.409 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccnn1C1CCCC1 ZINC000823309298 607235942 /nfs/dbraw/zinc/23/59/42/607235942.db2.gz WJFVFAVVIYLRQP-UHFFFAOYSA-N -1 3 357.805 3.084 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccnn1C1CCCC1 ZINC000823309298 607235943 /nfs/dbraw/zinc/23/59/43/607235943.db2.gz WJFVFAVVIYLRQP-UHFFFAOYSA-N -1 3 357.805 3.084 20 0 FGADHM O=C(Cc1cc(F)c(F)cc1F)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000823073768 607236223 /nfs/dbraw/zinc/23/62/23/607236223.db2.gz BJHBTWDBMMLZQN-UHFFFAOYSA-N -1 3 367.718 3.119 20 0 FGADHM O=C(Cc1cc(F)c(F)cc1F)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000823073768 607236224 /nfs/dbraw/zinc/23/62/24/607236224.db2.gz BJHBTWDBMMLZQN-UHFFFAOYSA-N -1 3 367.718 3.119 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1cnc(-c2ccco2)s1 ZINC000823319407 607243287 /nfs/dbraw/zinc/24/32/87/607243287.db2.gz UIQQTYDYPFGQSQ-UHFFFAOYSA-N -1 3 372.797 3.489 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1cnc(-c2ccco2)s1 ZINC000823319407 607243288 /nfs/dbraw/zinc/24/32/88/607243288.db2.gz UIQQTYDYPFGQSQ-UHFFFAOYSA-N -1 3 372.797 3.489 20 0 FGADHM C[C@@H](SCc1ccccc1)C(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000820549565 607246805 /nfs/dbraw/zinc/24/68/05/607246805.db2.gz OZHBODUOGISRTF-LLVKDONJSA-N -1 3 358.398 3.233 20 0 FGADHM C[C@@H](SCc1ccccc1)C(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000820549565 607246806 /nfs/dbraw/zinc/24/68/06/607246806.db2.gz OZHBODUOGISRTF-LLVKDONJSA-N -1 3 358.398 3.233 20 0 FGADHM CC[C@H](Oc1ccccc1C)C(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000820939487 607250324 /nfs/dbraw/zinc/25/03/24/607250324.db2.gz VTCUBNRWWCGHHW-AWEZNQCLSA-N -1 3 356.357 3.077 20 0 FGADHM CC[C@H](Oc1ccccc1C)C(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000820939487 607250325 /nfs/dbraw/zinc/25/03/25/607250325.db2.gz VTCUBNRWWCGHHW-AWEZNQCLSA-N -1 3 356.357 3.077 20 0 FGADHM COCC[C@H](OC(=O)CCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000826154933 607780361 /nfs/dbraw/zinc/78/03/61/607780361.db2.gz AVISGWDQJXDNMR-SFHVURJKSA-N -1 3 366.421 3.120 20 0 FGADHM COCC[C@H](OC(=O)CCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000826154933 607780362 /nfs/dbraw/zinc/78/03/62/607780362.db2.gz AVISGWDQJXDNMR-SFHVURJKSA-N -1 3 366.421 3.120 20 0 FGADHM Cc1nnccc1C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826338069 607794871 /nfs/dbraw/zinc/79/48/71/607794871.db2.gz JVWUWYAFXVKUKK-UHFFFAOYSA-N -1 3 373.376 3.010 20 0 FGADHM Cc1nnccc1C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826338069 607794872 /nfs/dbraw/zinc/79/48/72/607794872.db2.gz JVWUWYAFXVKUKK-UHFFFAOYSA-N -1 3 373.376 3.010 20 0 FGADHM CCN(C(=O)CSc1ccc(F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825375948 607799367 /nfs/dbraw/zinc/79/93/67/607799367.db2.gz AJKOSELCMRNYPS-UHFFFAOYSA-N -1 3 357.414 3.151 20 0 FGADHM CCN(C(=O)CSc1ccc(F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825375948 607799368 /nfs/dbraw/zinc/79/93/68/607799368.db2.gz AJKOSELCMRNYPS-UHFFFAOYSA-N -1 3 357.414 3.151 20 0 FGADHM Clc1ccc(-c2nnn[n-]2)c(N2CCO[C@@]3(CCc4ccccc43)C2)c1 ZINC000826351747 607811197 /nfs/dbraw/zinc/81/11/97/607811197.db2.gz YUORFXQFSUSQST-IBGZPJMESA-N -1 3 367.840 3.198 20 0 FGADHM Clc1ccc(-c2nn[n-]n2)c(N2CCO[C@@]3(CCc4ccccc43)C2)c1 ZINC000826351747 607811198 /nfs/dbraw/zinc/81/11/98/607811198.db2.gz YUORFXQFSUSQST-IBGZPJMESA-N -1 3 367.840 3.198 20 0 FGADHM Clc1cc(N2CCO[C@]3(CCc4ccccc43)C2)ccc1-c1nnn[n-]1 ZINC000826350674 607811259 /nfs/dbraw/zinc/81/12/59/607811259.db2.gz GPXBMXQLXKSAFB-LJQANCHMSA-N -1 3 367.840 3.198 20 0 FGADHM Clc1cc(N2CCO[C@]3(CCc4ccccc43)C2)ccc1-c1nn[n-]n1 ZINC000826350674 607811260 /nfs/dbraw/zinc/81/12/60/607811260.db2.gz GPXBMXQLXKSAFB-LJQANCHMSA-N -1 3 367.840 3.198 20 0 FGADHM C[C@@H](Cc1ccccc1Cl)C(=O)N(C)c1cccc(-c2nnn[n-]2)c1 ZINC000824456902 607816840 /nfs/dbraw/zinc/81/68/40/607816840.db2.gz AHTXMOVAHWKABM-LBPRGKRZSA-N -1 3 355.829 3.362 20 0 FGADHM C[C@@H](Cc1ccccc1Cl)C(=O)N(C)c1cccc(-c2nn[n-]n2)c1 ZINC000824456902 607816841 /nfs/dbraw/zinc/81/68/41/607816841.db2.gz AHTXMOVAHWKABM-LBPRGKRZSA-N -1 3 355.829 3.362 20 0 FGADHM Cc1noc(C)c1[C@H](C)CC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826338106 607826486 /nfs/dbraw/zinc/82/64/86/607826486.db2.gz LFKIMXNMEFCIKB-MRVPVSSYSA-N -1 3 360.805 3.257 20 0 FGADHM Cc1noc(C)c1[C@H](C)CC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826338106 607826487 /nfs/dbraw/zinc/82/64/87/607826487.db2.gz LFKIMXNMEFCIKB-MRVPVSSYSA-N -1 3 360.805 3.257 20 0 FGADHM C[C@@H]1CSc2ccccc2N(C(=O)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000825012204 607831733 /nfs/dbraw/zinc/83/17/33/607831733.db2.gz FBFREGCYUDKXJS-ZDUSSCGKSA-N -1 3 365.462 3.184 20 0 FGADHM C[C@@H]1CSc2ccccc2N(C(=O)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000825012204 607831734 /nfs/dbraw/zinc/83/17/34/607831734.db2.gz FBFREGCYUDKXJS-ZDUSSCGKSA-N -1 3 365.462 3.184 20 0 FGADHM CC1(NC(=O)c2cccc(COc3cccc(-c4nnn[n-]4)c3)c2)CCC1 ZINC000824838843 607855048 /nfs/dbraw/zinc/85/50/48/607855048.db2.gz UWCUSDNYUCLIGJ-UHFFFAOYSA-N -1 3 363.421 3.118 20 0 FGADHM CC1(NC(=O)c2cccc(COc3cccc(-c4nn[n-]n4)c3)c2)CCC1 ZINC000824838843 607855049 /nfs/dbraw/zinc/85/50/49/607855049.db2.gz UWCUSDNYUCLIGJ-UHFFFAOYSA-N -1 3 363.421 3.118 20 0 FGADHM CC1(NC(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)nc2)CCC1 ZINC000824832038 607856384 /nfs/dbraw/zinc/85/63/84/607856384.db2.gz QQNRBKWDKGIOAE-UHFFFAOYSA-N -1 3 365.397 3.118 20 0 FGADHM CC1(NC(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)nc2)CCC1 ZINC000824832038 607856385 /nfs/dbraw/zinc/85/63/85/607856385.db2.gz QQNRBKWDKGIOAE-UHFFFAOYSA-N -1 3 365.397 3.118 20 0 FGADHM CCN(C(=O)c1ccc(F)cc1F)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825385554 607877832 /nfs/dbraw/zinc/87/78/32/607877832.db2.gz KMMPCFRXBMLVCU-UHFFFAOYSA-N -1 3 363.755 3.465 20 0 FGADHM CCN(C(=O)c1ccc(F)cc1F)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825385554 607877833 /nfs/dbraw/zinc/87/78/33/607877833.db2.gz KMMPCFRXBMLVCU-UHFFFAOYSA-N -1 3 363.755 3.465 20 0 FGADHM CCN(C(=O)Cc1ccccc1F)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825376642 607877907 /nfs/dbraw/zinc/87/79/07/607877907.db2.gz KMPNMRUKGFJTLT-UHFFFAOYSA-N -1 3 359.792 3.255 20 0 FGADHM CCN(C(=O)Cc1ccccc1F)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825376642 607877908 /nfs/dbraw/zinc/87/79/08/607877908.db2.gz KMPNMRUKGFJTLT-UHFFFAOYSA-N -1 3 359.792 3.255 20 0 FGADHM CCc1ncc(C(=O)N(CC)c2ccc(-c3nnn[n-]3)c(Cl)c2)s1 ZINC000825750584 607879294 /nfs/dbraw/zinc/87/92/94/607879294.db2.gz TYFGDTOMOMCAGU-UHFFFAOYSA-N -1 3 362.846 3.206 20 0 FGADHM CCc1ncc(C(=O)N(CC)c2ccc(-c3nn[n-]n3)c(Cl)c2)s1 ZINC000825750584 607879295 /nfs/dbraw/zinc/87/92/95/607879295.db2.gz TYFGDTOMOMCAGU-UHFFFAOYSA-N -1 3 362.846 3.206 20 0 FGADHM O=C(Cn1ccc(-c2nnn[n-]2)c1)Nc1ccc(Oc2ccccc2)cc1 ZINC000826424468 607891331 /nfs/dbraw/zinc/89/13/31/607891331.db2.gz NJIVZNFFPWMQNJ-UHFFFAOYSA-N -1 3 360.377 3.099 20 0 FGADHM O=C(Cn1ccc(-c2nn[n-]n2)c1)Nc1ccc(Oc2ccccc2)cc1 ZINC000826424468 607891332 /nfs/dbraw/zinc/89/13/32/607891332.db2.gz NJIVZNFFPWMQNJ-UHFFFAOYSA-N -1 3 360.377 3.099 20 0 FGADHM COCc1ccc(SCc2cccc(C(=O)OC)c2-c2nnn[n-]2)cc1 ZINC000826164731 607893264 /nfs/dbraw/zinc/89/32/64/607893264.db2.gz NGRDHYVZNANTLS-UHFFFAOYSA-N -1 3 370.434 3.092 20 0 FGADHM COCc1ccc(SCc2cccc(C(=O)OC)c2-c2nn[n-]n2)cc1 ZINC000826164731 607893265 /nfs/dbraw/zinc/89/32/65/607893265.db2.gz NGRDHYVZNANTLS-UHFFFAOYSA-N -1 3 370.434 3.092 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1OCC(=O)Nc1c(C)cccc1Cl ZINC000826278493 607931167 /nfs/dbraw/zinc/93/11/67/607931167.db2.gz FZBCOUGYYNUUIP-UHFFFAOYSA-N -1 3 357.801 3.154 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1OCC(=O)Nc1c(C)cccc1Cl ZINC000826278493 607931168 /nfs/dbraw/zinc/93/11/68/607931168.db2.gz FZBCOUGYYNUUIP-UHFFFAOYSA-N -1 3 357.801 3.154 20 0 FGADHM CCC(=O)c1cc(C(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)ccc1F ZINC000825034141 607931449 /nfs/dbraw/zinc/93/14/49/607931449.db2.gz DTCJWHCSNJTLCE-LLVKDONJSA-N -1 3 367.384 3.090 20 0 FGADHM CCC(=O)c1cc(C(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)ccc1F ZINC000825034141 607931450 /nfs/dbraw/zinc/93/14/50/607931450.db2.gz DTCJWHCSNJTLCE-LLVKDONJSA-N -1 3 367.384 3.090 20 0 FGADHM Cc1cccc(C(=O)N(C)c2cccc(-c3nnn[n-]3)c2)c1Br ZINC000826296423 607934088 /nfs/dbraw/zinc/93/40/88/607934088.db2.gz VZBMGBUJMDXKPS-UHFFFAOYSA-N -1 3 372.226 3.214 20 0 FGADHM Cc1cccc(C(=O)N(C)c2cccc(-c3nn[n-]n3)c2)c1Br ZINC000826296423 607934089 /nfs/dbraw/zinc/93/40/89/607934089.db2.gz VZBMGBUJMDXKPS-UHFFFAOYSA-N -1 3 372.226 3.214 20 0 FGADHM C[C@@H](CC(=O)N1CCc2ccc(-c3nnn[n-]3)cc21)c1cccc(F)c1 ZINC000824385319 607945980 /nfs/dbraw/zinc/94/59/80/607945980.db2.gz QEZPZVOKGFDMIH-LBPRGKRZSA-N -1 3 351.385 3.089 20 0 FGADHM C[C@@H](CC(=O)N1CCc2ccc(-c3nn[n-]n3)cc21)c1cccc(F)c1 ZINC000824385319 607945981 /nfs/dbraw/zinc/94/59/81/607945981.db2.gz QEZPZVOKGFDMIH-LBPRGKRZSA-N -1 3 351.385 3.089 20 0 FGADHM CC(C)(C)c1ccc(CC(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)cc1 ZINC000824136612 607946167 /nfs/dbraw/zinc/94/61/67/607946167.db2.gz RHEWQEVSMRLZOM-UHFFFAOYSA-N -1 3 361.449 3.296 20 0 FGADHM CC(C)(C)c1ccc(CC(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)cc1 ZINC000824136612 607946168 /nfs/dbraw/zinc/94/61/68/607946168.db2.gz RHEWQEVSMRLZOM-UHFFFAOYSA-N -1 3 361.449 3.296 20 0 FGADHM C[C@@H](CC(=O)N1CCc2ccc(-c3nnn[n-]3)cc21)c1ccc(F)cc1 ZINC000824385335 607946970 /nfs/dbraw/zinc/94/69/70/607946970.db2.gz QQOVXFKLJSKAIE-LBPRGKRZSA-N -1 3 351.385 3.089 20 0 FGADHM C[C@@H](CC(=O)N1CCc2ccc(-c3nn[n-]n3)cc21)c1ccc(F)cc1 ZINC000824385335 607946971 /nfs/dbraw/zinc/94/69/71/607946971.db2.gz QQOVXFKLJSKAIE-LBPRGKRZSA-N -1 3 351.385 3.089 20 0 FGADHM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000825152881 607948782 /nfs/dbraw/zinc/94/87/82/607948782.db2.gz DXCPAGVUSZBMEV-XCRHUMRWSA-N -1 3 369.469 3.130 20 0 FGADHM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000825152881 607948783 /nfs/dbraw/zinc/94/87/83/607948783.db2.gz DXCPAGVUSZBMEV-XCRHUMRWSA-N -1 3 369.469 3.130 20 0 FGADHM Cc1[nH]c2c(cccc2C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)c1C ZINC000826233155 607949289 /nfs/dbraw/zinc/94/92/89/607949289.db2.gz VWULXOBPELGEKJ-UHFFFAOYSA-N -1 3 358.405 3.168 20 0 FGADHM Cc1[nH]c2c(cccc2C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)c1C ZINC000826233155 607949290 /nfs/dbraw/zinc/94/92/90/607949290.db2.gz VWULXOBPELGEKJ-UHFFFAOYSA-N -1 3 358.405 3.168 20 0 FGADHM C[C@H]1CCc2c(C(=O)N3CCc4ccc(-c5nnn[n-]5)cc43)csc2C1 ZINC000824969351 607951695 /nfs/dbraw/zinc/95/16/95/607951695.db2.gz SQKJRTRPDYCLHN-NSHDSACASA-N -1 3 365.462 3.256 20 0 FGADHM C[C@H]1CCc2c(C(=O)N3CCc4ccc(-c5nn[n-]n5)cc43)csc2C1 ZINC000824969351 607951696 /nfs/dbraw/zinc/95/16/96/607951696.db2.gz SQKJRTRPDYCLHN-NSHDSACASA-N -1 3 365.462 3.256 20 0 FGADHM O=C(c1cc2cc(Cl)ccc2o1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826470211 607952056 /nfs/dbraw/zinc/95/20/56/607952056.db2.gz HXEQYFNPGLHKNU-UHFFFAOYSA-N -1 3 365.780 3.469 20 0 FGADHM O=C(c1cc2cc(Cl)ccc2o1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826470211 607952057 /nfs/dbraw/zinc/95/20/57/607952057.db2.gz HXEQYFNPGLHKNU-UHFFFAOYSA-N -1 3 365.780 3.469 20 0 FGADHM O=C(C=Cc1ccc2ccccc2n1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826401245 607952719 /nfs/dbraw/zinc/95/27/19/607952719.db2.gz SZZVNPYZNDLVBB-MDZDMXLPSA-N -1 3 368.400 3.017 20 0 FGADHM O=C(C=Cc1ccc2ccccc2n1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826401245 607952720 /nfs/dbraw/zinc/95/27/20/607952720.db2.gz SZZVNPYZNDLVBB-MDZDMXLPSA-N -1 3 368.400 3.017 20 0 FGADHM Cc1sc(NC(=O)C=Cc2ccnc(Cl)c2)c(-c2nnn[n-]2)c1C ZINC000826349356 607962632 /nfs/dbraw/zinc/96/26/32/607962632.db2.gz FNZQALVWLRXAGA-ONEGZZNKSA-N -1 3 360.830 3.245 20 0 FGADHM Cc1sc(NC(=O)C=Cc2ccnc(Cl)c2)c(-c2nn[n-]n2)c1C ZINC000826349356 607962633 /nfs/dbraw/zinc/96/26/33/607962633.db2.gz FNZQALVWLRXAGA-ONEGZZNKSA-N -1 3 360.830 3.245 20 0 FGADHM CC(C)c1ccc([C@@H]2CCCN2C(=O)c2cc(-c3nnn[n-]3)cn2C)cc1 ZINC000824347719 607976936 /nfs/dbraw/zinc/97/69/36/607976936.db2.gz LMXHBRBRZGWREE-KRWDZBQOSA-N -1 3 364.453 3.306 20 0 FGADHM CC(C)c1ccc([C@@H]2CCCN2C(=O)c2cc(-c3nn[n-]n3)cn2C)cc1 ZINC000824347719 607976937 /nfs/dbraw/zinc/97/69/37/607976937.db2.gz LMXHBRBRZGWREE-KRWDZBQOSA-N -1 3 364.453 3.306 20 0 FGADHM Cc1sc(NC(=O)C=Cc2ccc(Cl)nc2)c(-c2nnn[n-]2)c1C ZINC000826349726 608000519 /nfs/dbraw/zinc/00/05/19/608000519.db2.gz SEJJFDAUQREPQO-GQCTYLIASA-N -1 3 360.830 3.245 20 0 FGADHM Cc1sc(NC(=O)C=Cc2ccc(Cl)nc2)c(-c2nn[n-]n2)c1C ZINC000826349726 608000520 /nfs/dbraw/zinc/00/05/20/608000520.db2.gz SEJJFDAUQREPQO-GQCTYLIASA-N -1 3 360.830 3.245 20 0 FGADHM Cc1cncc(CNc2cc(C)c(-c3nnn[n-]3)c3nc4ccccc4n32)c1 ZINC000826319831 608017540 /nfs/dbraw/zinc/01/75/40/608017540.db2.gz VAYQOQBCRJZJNF-UHFFFAOYSA-N -1 3 370.420 3.292 20 0 FGADHM Cc1cncc(CNc2cc(C)c(-c3nn[n-]n3)c3nc4ccccc4n32)c1 ZINC000826319831 608017541 /nfs/dbraw/zinc/01/75/41/608017541.db2.gz VAYQOQBCRJZJNF-UHFFFAOYSA-N -1 3 370.420 3.292 20 0 FGADHM Cn1c2ccc(Nc3ncc(-c4nnn[n-]4)cc3Cl)cc2nc1C1CC1 ZINC000826355092 608018597 /nfs/dbraw/zinc/01/85/97/608018597.db2.gz JWYPWFZRZBGEHQ-UHFFFAOYSA-N -1 3 366.816 3.423 20 0 FGADHM Cn1c2ccc(Nc3ncc(-c4nn[n-]n4)cc3Cl)cc2nc1C1CC1 ZINC000826355092 608018598 /nfs/dbraw/zinc/01/85/98/608018598.db2.gz JWYPWFZRZBGEHQ-UHFFFAOYSA-N -1 3 366.816 3.423 20 0 FGADHM O=C(COc1ccc(Br)cc1-c1nnn[n-]1)C1CCCCC1 ZINC000826418158 608023779 /nfs/dbraw/zinc/02/37/79/608023779.db2.gz SQGPBUXGIADGKS-UHFFFAOYSA-N -1 3 365.231 3.157 20 0 FGADHM O=C(COc1ccc(Br)cc1-c1nn[n-]n1)C1CCCCC1 ZINC000826418158 608023780 /nfs/dbraw/zinc/02/37/80/608023780.db2.gz SQGPBUXGIADGKS-UHFFFAOYSA-N -1 3 365.231 3.157 20 0 FGADHM Cc1ncc(-c2ccccc2)cc1NC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000826329702 608027184 /nfs/dbraw/zinc/02/71/84/608027184.db2.gz OHXAYGDMRDCYLR-UHFFFAOYSA-N -1 3 370.416 3.418 20 0 FGADHM Cc1ncc(-c2ccccc2)cc1NC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000826329702 608027185 /nfs/dbraw/zinc/02/71/85/608027185.db2.gz OHXAYGDMRDCYLR-UHFFFAOYSA-N -1 3 370.416 3.418 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccc(Oc2cccnc2)nc1 ZINC000826250211 608027373 /nfs/dbraw/zinc/02/73/73/608027373.db2.gz PNUSPVYQFHRYQR-UHFFFAOYSA-N -1 3 373.376 3.010 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccc(Oc2cccnc2)nc1 ZINC000826250211 608027374 /nfs/dbraw/zinc/02/73/74/608027374.db2.gz PNUSPVYQFHRYQR-UHFFFAOYSA-N -1 3 373.376 3.010 20 0 FGADHM CN(Cc1ccc(-c2nnn[n-]2)cc1OC(F)F)OCc1ccccc1 ZINC000825962024 608063556 /nfs/dbraw/zinc/06/35/56/608063556.db2.gz QKIGBIKCVHAANJ-UHFFFAOYSA-N -1 3 361.352 3.032 20 0 FGADHM CN(Cc1ccc(-c2nn[n-]n2)cc1OC(F)F)OCc1ccccc1 ZINC000825962024 608063557 /nfs/dbraw/zinc/06/35/57/608063557.db2.gz QKIGBIKCVHAANJ-UHFFFAOYSA-N -1 3 361.352 3.032 20 0 FGADHM OCCCCCNc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826510037 608095568 /nfs/dbraw/zinc/09/55/68/608095568.db2.gz VEBLYQCNSLAVRP-UHFFFAOYSA-N -1 3 353.426 3.020 20 0 FGADHM OCCCCCNc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826510037 608095569 /nfs/dbraw/zinc/09/55/69/608095569.db2.gz VEBLYQCNSLAVRP-UHFFFAOYSA-N -1 3 353.426 3.020 20 0 FGADHM Fc1ccccc1N1CCC[C@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC000826378469 608098710 /nfs/dbraw/zinc/09/87/10/608098710.db2.gz LMSVBTWJXWJXIF-LBPRGKRZSA-N -1 3 373.823 3.135 20 0 FGADHM Fc1ccccc1N1CCC[C@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC000826378469 608098711 /nfs/dbraw/zinc/09/87/11/608098711.db2.gz LMSVBTWJXWJXIF-LBPRGKRZSA-N -1 3 373.823 3.135 20 0 FGADHM O=C1[C@@H](Sc2cccc(-c3nnn[n-]3)c2)CCCN1c1ccccc1F ZINC000826477810 608111451 /nfs/dbraw/zinc/11/14/51/608111451.db2.gz MFLYWSGZIYUNPW-INIZCTEOSA-N -1 3 369.425 3.294 20 0 FGADHM O=C1[C@@H](Sc2cccc(-c3nn[n-]n3)c2)CCCN1c1ccccc1F ZINC000826477810 608111452 /nfs/dbraw/zinc/11/14/52/608111452.db2.gz MFLYWSGZIYUNPW-INIZCTEOSA-N -1 3 369.425 3.294 20 0 FGADHM C[C@@H](NC(=O)c1cc(F)c(Cl)cc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000824514976 608115227 /nfs/dbraw/zinc/11/52/27/608115227.db2.gz QTUWGIIGYKEMGQ-MRVPVSSYSA-N -1 3 363.755 3.289 20 0 FGADHM C[C@@H](NC(=O)c1cc(F)c(Cl)cc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000824514976 608115228 /nfs/dbraw/zinc/11/52/28/608115228.db2.gz QTUWGIIGYKEMGQ-MRVPVSSYSA-N -1 3 363.755 3.289 20 0 FGADHM Cc1nn(C(C)(C)C)cc1C(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826332769 608142955 /nfs/dbraw/zinc/14/29/55/608142955.db2.gz HDFIVNZRZFBLPH-LBPRGKRZSA-N -1 3 354.414 3.045 20 0 FGADHM Cc1nn(C(C)(C)C)cc1C(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826332769 608142956 /nfs/dbraw/zinc/14/29/56/608142956.db2.gz HDFIVNZRZFBLPH-LBPRGKRZSA-N -1 3 354.414 3.045 20 0 FGADHM FC(F)COc1ncccc1CNc1c(Cl)cccc1-c1nnn[n-]1 ZINC000826369780 608150497 /nfs/dbraw/zinc/15/04/97/608150497.db2.gz QDGPKLCDVYVURB-UHFFFAOYSA-N -1 3 366.759 3.171 20 0 FGADHM FC(F)COc1ncccc1CNc1c(Cl)cccc1-c1nn[n-]n1 ZINC000826369780 608150498 /nfs/dbraw/zinc/15/04/98/608150498.db2.gz QDGPKLCDVYVURB-UHFFFAOYSA-N -1 3 366.759 3.171 20 0 FGADHM CCN(C(=O)c1cc(C(C)C)on1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825380550 608151315 /nfs/dbraw/zinc/15/13/15/608151315.db2.gz QONDKNBMUJUZGG-GFCCVEGCSA-N -1 3 354.414 3.201 20 0 FGADHM CCN(C(=O)c1cc(C(C)C)on1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825380550 608151316 /nfs/dbraw/zinc/15/13/16/608151316.db2.gz QONDKNBMUJUZGG-GFCCVEGCSA-N -1 3 354.414 3.201 20 0 FGADHM C[C@H](SCc1ncn(-c2ccccc2)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824757420 608153568 /nfs/dbraw/zinc/15/35/68/608153568.db2.gz WIDJTJPNPMAICT-ZDUSSCGKSA-N -1 3 363.450 3.442 20 0 FGADHM C[C@H](SCc1ncn(-c2ccccc2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824757420 608153569 /nfs/dbraw/zinc/15/35/69/608153569.db2.gz WIDJTJPNPMAICT-ZDUSSCGKSA-N -1 3 363.450 3.442 20 0 FGADHM C[C@H](OC(=O)c1ncccc1C(F)(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000824727519 608159615 /nfs/dbraw/zinc/15/96/15/608159615.db2.gz AFTDSWQPRHNYQN-VIFPVBQESA-N -1 3 363.299 3.199 20 0 FGADHM C[C@H](OC(=O)c1ncccc1C(F)(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000824727519 608159616 /nfs/dbraw/zinc/15/96/16/608159616.db2.gz AFTDSWQPRHNYQN-VIFPVBQESA-N -1 3 363.299 3.199 20 0 FGADHM C[C@@H]1CCN(c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)CC12CCC2 ZINC000824962507 608196598 /nfs/dbraw/zinc/19/65/98/608196598.db2.gz URJRSFFWOAMXME-SNVBAGLBSA-N -1 3 352.364 3.297 20 0 FGADHM C[C@@H]1CCN(c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)CC12CCC2 ZINC000824962507 608196599 /nfs/dbraw/zinc/19/65/99/608196599.db2.gz URJRSFFWOAMXME-SNVBAGLBSA-N -1 3 352.364 3.297 20 0 FGADHM CC(C)(C)[C@H](O)C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000824072705 608197889 /nfs/dbraw/zinc/19/78/89/608197889.db2.gz YHULVKPLTULQED-MRXNPFEDSA-N -1 3 367.409 3.005 20 0 FGADHM CC(C)(C)[C@H](O)C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000824072705 608197891 /nfs/dbraw/zinc/19/78/91/608197891.db2.gz YHULVKPLTULQED-MRXNPFEDSA-N -1 3 367.409 3.005 20 0 FGADHM c1ccc2c(c1)C[C@H](CNc1ccc3cc(-c4nnn[n-]4)ccc3n1)CO2 ZINC000826523134 608222646 /nfs/dbraw/zinc/22/26/46/608222646.db2.gz BLPZQBJYXBZOFV-CYBMUJFWSA-N -1 3 358.405 3.078 20 0 FGADHM c1ccc2c(c1)C[C@H](CNc1ccc3cc(-c4nn[n-]n4)ccc3n1)CO2 ZINC000826523134 608222647 /nfs/dbraw/zinc/22/26/47/608222647.db2.gz BLPZQBJYXBZOFV-CYBMUJFWSA-N -1 3 358.405 3.078 20 0 FGADHM CN(C[C@H]1OCCc2ccccc21)c1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000825914754 608225191 /nfs/dbraw/zinc/22/51/91/608225191.db2.gz MWDNGDLHPQRECC-LJQANCHMSA-N -1 3 372.432 3.165 20 0 FGADHM CN(C[C@H]1OCCc2ccccc21)c1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000825914754 608225193 /nfs/dbraw/zinc/22/51/93/608225193.db2.gz MWDNGDLHPQRECC-LJQANCHMSA-N -1 3 372.432 3.165 20 0 FGADHM CCCOc1ccc(CNc2ccc3cc(-c4nnn[n-]4)ccc3n2)cn1 ZINC000825338917 608226810 /nfs/dbraw/zinc/22/68/10/608226810.db2.gz JWPXRNORFHCTEW-UHFFFAOYSA-N -1 3 361.409 3.211 20 0 FGADHM CCCOc1ccc(CNc2ccc3cc(-c4nn[n-]n4)ccc3n2)cn1 ZINC000825338917 608226811 /nfs/dbraw/zinc/22/68/11/608226811.db2.gz JWPXRNORFHCTEW-UHFFFAOYSA-N -1 3 361.409 3.211 20 0 FGADHM Cc1cccc([C@@H](Nc2nnc(C)c(C)c2-c2nnn[n-]2)c2ccccn2)c1 ZINC000826297117 608230552 /nfs/dbraw/zinc/23/05/52/608230552.db2.gz VXWBOYFZJSZYDH-GOSISDBHSA-N -1 3 372.436 3.178 20 0 FGADHM Cc1cccc([C@@H](Nc2nnc(C)c(C)c2-c2nn[n-]n2)c2ccccn2)c1 ZINC000826297117 608230554 /nfs/dbraw/zinc/23/05/54/608230554.db2.gz VXWBOYFZJSZYDH-GOSISDBHSA-N -1 3 372.436 3.178 20 0 FGADHM c1ccc2c(c1)[nH]c1c2CCN(c2ccc3cc(-c4nnn[n-]4)ccc3n2)C1 ZINC000826524200 608235826 /nfs/dbraw/zinc/23/58/26/608235826.db2.gz MESRQVUPTXHMOG-UHFFFAOYSA-N -1 3 367.416 3.459 20 0 FGADHM c1ccc2c(c1)[nH]c1c2CCN(c2ccc3cc(-c4nn[n-]n4)ccc3n2)C1 ZINC000826524200 608235828 /nfs/dbraw/zinc/23/58/28/608235828.db2.gz MESRQVUPTXHMOG-UHFFFAOYSA-N -1 3 367.416 3.459 20 0 FGADHM O=C(NC1(c2ccc(F)cc2F)CCCCC1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826427064 608250956 /nfs/dbraw/zinc/25/09/56/608250956.db2.gz FCUSWJPWJWWDPX-UHFFFAOYSA-N -1 3 372.379 3.062 20 0 FGADHM O=C(NC1(c2ccc(F)cc2F)CCCCC1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826427064 608250958 /nfs/dbraw/zinc/25/09/58/608250958.db2.gz FCUSWJPWJWWDPX-UHFFFAOYSA-N -1 3 372.379 3.062 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)[C@@H](c1ccccc1)C1CC1 ZINC000826466126 608254672 /nfs/dbraw/zinc/25/46/72/608254672.db2.gz PQDREYIJOAEPCE-KRWDZBQOSA-N -1 3 352.369 3.243 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)[C@@H](c1ccccc1)C1CC1 ZINC000826466126 608254673 /nfs/dbraw/zinc/25/46/73/608254673.db2.gz PQDREYIJOAEPCE-KRWDZBQOSA-N -1 3 352.369 3.243 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)c(NCCCC(=O)Nc2ccc(Cl)cc2)n1 ZINC000826275492 608277157 /nfs/dbraw/zinc/27/71/57/608277157.db2.gz BDGGPGOXSLTEAO-UHFFFAOYSA-N -1 3 371.832 3.054 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)c(NCCCC(=O)Nc2ccc(Cl)cc2)n1 ZINC000826275492 608277158 /nfs/dbraw/zinc/27/71/58/608277158.db2.gz BDGGPGOXSLTEAO-UHFFFAOYSA-N -1 3 371.832 3.054 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)c(N[C@H]2CCc3cc(Br)ccc32)n1 ZINC000826275979 608277170 /nfs/dbraw/zinc/27/71/70/608277170.db2.gz QGFBXFGQVVLBKC-AWEZNQCLSA-N -1 3 371.242 3.432 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)c(N[C@H]2CCc3cc(Br)ccc32)n1 ZINC000826275979 608277172 /nfs/dbraw/zinc/27/71/72/608277172.db2.gz QGFBXFGQVVLBKC-AWEZNQCLSA-N -1 3 371.242 3.432 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)c(NCCCO[C@@H]2CCCc3ccccc32)n1 ZINC000826276525 608288327 /nfs/dbraw/zinc/28/83/27/608288327.db2.gz KDOMBCNBAFURKP-GOSISDBHSA-N -1 3 364.453 3.466 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)c(NCCCO[C@@H]2CCCc3ccccc32)n1 ZINC000826276525 608288328 /nfs/dbraw/zinc/28/83/28/608288328.db2.gz KDOMBCNBAFURKP-GOSISDBHSA-N -1 3 364.453 3.466 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)c(N(C)Cc2cccc(OC(F)(F)F)c2)n1 ZINC000826274155 608296441 /nfs/dbraw/zinc/29/64/41/608296441.db2.gz IILDVNWKNIQXBC-UHFFFAOYSA-N -1 3 364.331 3.105 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)c(N(C)Cc2cccc(OC(F)(F)F)c2)n1 ZINC000826274155 608296443 /nfs/dbraw/zinc/29/64/43/608296443.db2.gz IILDVNWKNIQXBC-UHFFFAOYSA-N -1 3 364.331 3.105 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)c(NCc2cn(-c3ccccc3)nc2C(C)C)n1 ZINC000826277046 608297535 /nfs/dbraw/zinc/29/75/35/608297535.db2.gz GWWAQRKISUHUGI-UHFFFAOYSA-N -1 3 374.452 3.491 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)c(NCc2cn(-c3ccccc3)nc2C(C)C)n1 ZINC000826277046 608297537 /nfs/dbraw/zinc/29/75/37/608297537.db2.gz GWWAQRKISUHUGI-UHFFFAOYSA-N -1 3 374.452 3.491 20 0 FGADHM O=C(NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)[C@@H]1CC12CCC2 ZINC000826440377 608305968 /nfs/dbraw/zinc/30/59/68/608305968.db2.gz KPKZEJNZFINFLW-SFHVURJKSA-N -1 3 359.433 3.340 20 0 FGADHM O=C(NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)[C@@H]1CC12CCC2 ZINC000826440377 608305969 /nfs/dbraw/zinc/30/59/69/608305969.db2.gz KPKZEJNZFINFLW-SFHVURJKSA-N -1 3 359.433 3.340 20 0 FGADHM Cc1nn(-c2ccccc2)c(CN(C)[C@H](C)c2ccco2)c1-c1nnn[n-]1 ZINC000826331930 608310594 /nfs/dbraw/zinc/31/05/94/608310594.db2.gz DLKXVGCXZKGRIS-CQSZACIVSA-N -1 3 363.425 3.147 20 0 FGADHM Cc1nn(-c2ccccc2)c(CN(C)[C@H](C)c2ccco2)c1-c1nn[n-]n1 ZINC000826331930 608310595 /nfs/dbraw/zinc/31/05/95/608310595.db2.gz DLKXVGCXZKGRIS-CQSZACIVSA-N -1 3 363.425 3.147 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N[C@H]1CCCc2cc(F)ccc21 ZINC000826401505 608315636 /nfs/dbraw/zinc/31/56/36/608315636.db2.gz AMOOOUOKRDIGEU-YFWYWMRJSA-N -1 3 363.396 3.213 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N[C@H]1CCCc2cc(F)ccc21 ZINC000826401505 608315639 /nfs/dbraw/zinc/31/56/39/608315639.db2.gz AMOOOUOKRDIGEU-YFWYWMRJSA-N -1 3 363.396 3.213 20 0 FGADHM CCN(C(=O)[C@H]1Cc2ccccc21)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825367175 608343505 /nfs/dbraw/zinc/34/35/05/608343505.db2.gz KJIJYODFKDQTMO-HNNXBMFYSA-N -1 3 353.813 3.213 20 0 FGADHM CCN(C(=O)[C@H]1Cc2ccccc21)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825367175 608343506 /nfs/dbraw/zinc/34/35/06/608343506.db2.gz KJIJYODFKDQTMO-HNNXBMFYSA-N -1 3 353.813 3.213 20 0 FGADHM Cc1ccc(F)c(C(=O)OCCCOc2ccc(-c3nn[n-]n3)cc2)c1F ZINC000826289074 608378316 /nfs/dbraw/zinc/37/83/16/608378316.db2.gz JMFVFAJVAMLXHI-UHFFFAOYSA-N -1 3 374.347 3.079 20 0 FGADHM CCc1ccc(NCC(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1CC ZINC000825716878 608388316 /nfs/dbraw/zinc/38/83/16/608388316.db2.gz CEDJAQDNSGCSJA-UHFFFAOYSA-N -1 3 350.426 3.042 20 0 FGADHM CCc1ccc(NCC(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1CC ZINC000825716878 608388318 /nfs/dbraw/zinc/38/83/18/608388318.db2.gz CEDJAQDNSGCSJA-UHFFFAOYSA-N -1 3 350.426 3.042 20 0 FGADHM CCc1ccc(N[C@@H](C(=O)OC)c2ccc(-c3nnn[n-]3)cc2)cc1CC ZINC000825717948 608390136 /nfs/dbraw/zinc/39/01/36/608390136.db2.gz RPGPQYWOOUJENU-GOSISDBHSA-N -1 3 365.437 3.318 20 0 FGADHM CCc1ccc(N[C@@H](C(=O)OC)c2ccc(-c3nn[n-]n3)cc2)cc1CC ZINC000825717948 608390138 /nfs/dbraw/zinc/39/01/38/608390138.db2.gz RPGPQYWOOUJENU-GOSISDBHSA-N -1 3 365.437 3.318 20 0 FGADHM Cc1ccc(C(=O)CCC(=O)OCc2cccc(-c3nnn[n-]3)c2F)cc1 ZINC000826281236 608435302 /nfs/dbraw/zinc/43/53/02/608435302.db2.gz KGTQEBHCSISGCS-UHFFFAOYSA-N -1 3 368.368 3.021 20 0 FGADHM Cc1ccc(C(=O)CCC(=O)OCc2cccc(-c3nn[n-]n3)c2F)cc1 ZINC000826281236 608435304 /nfs/dbraw/zinc/43/53/04/608435304.db2.gz KGTQEBHCSISGCS-UHFFFAOYSA-N -1 3 368.368 3.021 20 0 FGADHM Cc1[nH]c2ccccc2c1C(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826233858 608438609 /nfs/dbraw/zinc/43/86/09/608438609.db2.gz YDOJDBVMNJHSIX-UHFFFAOYSA-N -1 3 351.341 3.153 20 0 FGADHM Cc1[nH]c2ccccc2c1C(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826233858 608438610 /nfs/dbraw/zinc/43/86/10/608438610.db2.gz YDOJDBVMNJHSIX-UHFFFAOYSA-N -1 3 351.341 3.153 20 0 FGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)c1ccc2cc(O)ccc2c1 ZINC000826466536 608440618 /nfs/dbraw/zinc/44/06/18/608440618.db2.gz HVNLKQKPPUQGMQ-UHFFFAOYSA-N -1 3 364.336 3.222 20 0 FGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)c1ccc2cc(O)ccc2c1 ZINC000826466536 608440619 /nfs/dbraw/zinc/44/06/19/608440619.db2.gz HVNLKQKPPUQGMQ-UHFFFAOYSA-N -1 3 364.336 3.222 20 0 FGADHM FC(F)Oc1cc(-c2nn[n-]n2)ccc1CN1CCC[C@H]1c1ccncc1 ZINC000826369512 608457702 /nfs/dbraw/zinc/45/77/02/608457702.db2.gz GCLKHTHXXILNFN-HNNXBMFYSA-N -1 3 372.379 3.200 20 0 FGADHM C[C@@H](NCc1ccn(-c2cccc(F)c2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824627300 608465647 /nfs/dbraw/zinc/46/56/47/608465647.db2.gz WOHKJKPRHWXLNR-CYBMUJFWSA-N -1 3 363.400 3.042 20 0 FGADHM C[C@@H](NCc1ncc(-c2cccs2)o1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824635046 608468114 /nfs/dbraw/zinc/46/81/14/608468114.db2.gz YCMNHWBQMJCFHH-LLVKDONJSA-N -1 3 352.423 3.434 20 0 FGADHM C[C@@H](NCc1ncc(-c2cccs2)o1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824635046 608468115 /nfs/dbraw/zinc/46/81/15/608468115.db2.gz YCMNHWBQMJCFHH-LLVKDONJSA-N -1 3 352.423 3.434 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1OC(F)(F)F ZINC000826454525 608469617 /nfs/dbraw/zinc/46/96/17/608469617.db2.gz ZTNJELHKSNAZSA-UHFFFAOYSA-N -1 3 367.262 3.157 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1OC(F)(F)F ZINC000826454525 608469618 /nfs/dbraw/zinc/46/96/18/608469618.db2.gz ZTNJELHKSNAZSA-UHFFFAOYSA-N -1 3 367.262 3.157 20 0 FGADHM C[C@H]1CC[C@H](CC(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)C1 ZINC000824909433 608484101 /nfs/dbraw/zinc/48/41/01/608484101.db2.gz TWZWDDSQRBQGKD-GJZGRUSLSA-N -1 3 351.454 3.309 20 0 FGADHM C[C@H]1CC[C@H](CC(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC000824909433 608484103 /nfs/dbraw/zinc/48/41/03/608484103.db2.gz TWZWDDSQRBQGKD-GJZGRUSLSA-N -1 3 351.454 3.309 20 0 FGADHM O=C(C(F)=C1CCCC1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826396915 608485513 /nfs/dbraw/zinc/48/55/13/608485513.db2.gz OKBGZSARIWDSBZ-UHFFFAOYSA-N -1 3 353.401 3.280 20 0 FGADHM O=C(C(F)=C1CCCC1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826396915 608485514 /nfs/dbraw/zinc/48/55/14/608485514.db2.gz OKBGZSARIWDSBZ-UHFFFAOYSA-N -1 3 353.401 3.280 20 0 FGADHM Cc1ccc(CC(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000826286992 608488710 /nfs/dbraw/zinc/48/87/10/608488710.db2.gz YHMAMSKGLBKXBI-UHFFFAOYSA-N -1 3 359.433 3.034 20 0 FGADHM Cc1ccc(CC(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000826286992 608488712 /nfs/dbraw/zinc/48/87/12/608488712.db2.gz YHMAMSKGLBKXBI-UHFFFAOYSA-N -1 3 359.433 3.034 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cc(F)cc2cccnc21 ZINC000826452516 608494793 /nfs/dbraw/zinc/49/47/93/608494793.db2.gz WKYDHZIAXJXWKP-UHFFFAOYSA-N -1 3 368.759 3.460 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cc(F)cc2cccnc21 ZINC000826452516 608494795 /nfs/dbraw/zinc/49/47/95/608494795.db2.gz WKYDHZIAXJXWKP-UHFFFAOYSA-N -1 3 368.759 3.460 20 0 FGADHM CC[C@@H](OC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1ccc(OC)cc1 ZINC000825152805 608499642 /nfs/dbraw/zinc/49/96/42/608499642.db2.gz CIDYDPCEWFCTIG-QGZVFWFLSA-N -1 3 352.394 3.112 20 0 FGADHM CC[C@@H](OC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1ccc(OC)cc1 ZINC000825152805 608499646 /nfs/dbraw/zinc/49/96/46/608499646.db2.gz CIDYDPCEWFCTIG-QGZVFWFLSA-N -1 3 352.394 3.112 20 0 FGADHM CN(Cc1ccc(Br)s1)Cc1ccc(-c2nnn[n-]2)s1 ZINC000825965665 608504969 /nfs/dbraw/zinc/50/49/69/608504969.db2.gz ATZXGOSBGCIJBR-UHFFFAOYSA-N -1 3 370.301 3.384 20 0 FGADHM CN(Cc1ccc(Br)s1)Cc1ccc(-c2nn[n-]n2)s1 ZINC000825965665 608504971 /nfs/dbraw/zinc/50/49/71/608504971.db2.gz ATZXGOSBGCIJBR-UHFFFAOYSA-N -1 3 370.301 3.384 20 0 FGADHM CCc1ccnc(C(=O)N(CC)[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000825728692 608540000 /nfs/dbraw/zinc/54/00/00/608540000.db2.gz WGSSLCBXVYPZTD-ZDUSSCGKSA-N -1 3 350.426 3.047 20 0 FGADHM CCc1ccnc(C(=O)N(CC)[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000825728692 608540002 /nfs/dbraw/zinc/54/00/02/608540002.db2.gz WGSSLCBXVYPZTD-ZDUSSCGKSA-N -1 3 350.426 3.047 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OCCOc1c(F)cccc1Cl ZINC000826176519 608546289 /nfs/dbraw/zinc/54/62/89/608546289.db2.gz SPIDZZJSFFYVCQ-UHFFFAOYSA-N -1 3 364.764 3.126 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OCCOc1c(F)cccc1Cl ZINC000826176519 608546291 /nfs/dbraw/zinc/54/62/91/608546291.db2.gz SPIDZZJSFFYVCQ-UHFFFAOYSA-N -1 3 364.764 3.126 20 0 FGADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)Nc1c(F)cc(Cl)cc1F ZINC000826408663 608548064 /nfs/dbraw/zinc/54/80/64/608548064.db2.gz QCPFKUVPQJXGFJ-UHFFFAOYSA-N -1 3 363.755 3.370 20 0 FGADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)Nc1c(F)cc(Cl)cc1F ZINC000826408663 608548065 /nfs/dbraw/zinc/54/80/65/608548065.db2.gz QCPFKUVPQJXGFJ-UHFFFAOYSA-N -1 3 363.755 3.370 20 0 FGADHM CN(C(=O)[C@H]1CCc2c1cccc2Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000825811966 608582886 /nfs/dbraw/zinc/58/28/86/608582886.db2.gz DQWSJNCIUFBLRW-HNNXBMFYSA-N -1 3 353.813 3.213 20 0 FGADHM CN(C(=O)[C@H]1CCc2c1cccc2Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000825811966 608582887 /nfs/dbraw/zinc/58/28/87/608582887.db2.gz DQWSJNCIUFBLRW-HNNXBMFYSA-N -1 3 353.813 3.213 20 0 FGADHM Cc1ccccc1C1=CCN(c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)C1 ZINC000826306698 608585707 /nfs/dbraw/zinc/58/57/07/608585707.db2.gz IEPNPLGCKGBZOP-UHFFFAOYSA-N -1 3 372.354 3.493 20 0 FGADHM Cc1ccccc1C1=CCN(c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)C1 ZINC000826306698 608585708 /nfs/dbraw/zinc/58/57/08/608585708.db2.gz IEPNPLGCKGBZOP-UHFFFAOYSA-N -1 3 372.354 3.493 20 0 FGADHM CCOc1cccc([C@@H]2C[C@H]2Nc2ncc(-c3nnn[n-]3)cc2Cl)c1 ZINC000825649496 608589158 /nfs/dbraw/zinc/58/91/58/608589158.db2.gz QSONCLUAUOKVIC-DZGCQCFKSA-N -1 3 356.817 3.282 20 0 FGADHM CCOc1cccc([C@@H]2C[C@H]2Nc2ncc(-c3nn[n-]n3)cc2Cl)c1 ZINC000825649496 608589160 /nfs/dbraw/zinc/58/91/60/608589160.db2.gz QSONCLUAUOKVIC-DZGCQCFKSA-N -1 3 356.817 3.282 20 0 FGADHM Cc1ccccc1[C@H]1CN(Cc2ccc(-c3nnn[n-]3)s2)[C@H](C)CO1 ZINC000826306872 608721745 /nfs/dbraw/zinc/72/17/45/608721745.db2.gz OGKFJELKNNKAEK-CZUORRHYSA-N -1 3 355.467 3.199 20 0 FGADHM Cc1ccccc1[C@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)[C@H](C)CO1 ZINC000826306872 608721746 /nfs/dbraw/zinc/72/17/46/608721746.db2.gz OGKFJELKNNKAEK-CZUORRHYSA-N -1 3 355.467 3.199 20 0 FGADHM CCc1ccc(NC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1C ZINC000825711884 608820053 /nfs/dbraw/zinc/82/00/53/608820053.db2.gz IFIXWODATLUPGM-UHFFFAOYSA-N -1 3 354.389 3.198 20 0 FGADHM CCc1ccc(NC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1C ZINC000825711884 608820055 /nfs/dbraw/zinc/82/00/55/608820055.db2.gz IFIXWODATLUPGM-UHFFFAOYSA-N -1 3 354.389 3.198 20 0 FGADHM CCc1ccc(NC(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000825712604 608820147 /nfs/dbraw/zinc/82/01/47/608820147.db2.gz SGQIMSMXBHAMKY-UHFFFAOYSA-N -1 3 350.426 3.401 20 0 FGADHM CCc1ccc(NC(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000825712604 608820150 /nfs/dbraw/zinc/82/01/50/608820150.db2.gz SGQIMSMXBHAMKY-UHFFFAOYSA-N -1 3 350.426 3.401 20 0 FGADHM Clc1ccc(-n2cc(CNc3cccc(-c4nnn[n-]4)c3)cn2)cc1 ZINC000826351744 608871739 /nfs/dbraw/zinc/87/17/39/608871739.db2.gz YRBQRYIGFOESOQ-UHFFFAOYSA-N -1 3 351.801 3.318 20 0 FGADHM Clc1ccc(-n2cc(CNc3cccc(-c4nn[n-]n4)c3)cn2)cc1 ZINC000826351744 608871743 /nfs/dbraw/zinc/87/17/43/608871743.db2.gz YRBQRYIGFOESOQ-UHFFFAOYSA-N -1 3 351.801 3.318 20 0 FGADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1)c1ccc([C@H]2CCCOC2)cc1 ZINC000826464627 609136784 /nfs/dbraw/zinc/13/67/84/609136784.db2.gz FRWVZYCOVZBGHW-SFHVURJKSA-N -1 3 364.405 3.118 20 0 FGADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1)c1ccc([C@H]2CCCOC2)cc1 ZINC000826464627 609136786 /nfs/dbraw/zinc/13/67/86/609136786.db2.gz FRWVZYCOVZBGHW-SFHVURJKSA-N -1 3 364.405 3.118 20 0 FGADHM CC(=O)c1ccc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCC3)c(F)c1 ZINC000824019692 609141943 /nfs/dbraw/zinc/14/19/43/609141943.db2.gz LGQIXYVBDLBIJN-UHFFFAOYSA-N -1 3 371.397 3.011 20 0 FGADHM CC(=O)c1ccc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)c(F)c1 ZINC000824019692 609141944 /nfs/dbraw/zinc/14/19/44/609141944.db2.gz LGQIXYVBDLBIJN-UHFFFAOYSA-N -1 3 371.397 3.011 20 0 FGADHM CCN(C)[C@H](C(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000825391195 609144459 /nfs/dbraw/zinc/14/44/59/609144459.db2.gz WJWQXUUXLOIYSJ-KDOFPFPSSA-N -1 3 365.437 3.164 20 0 FGADHM CCN(C)[C@H](C(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000825391195 609144460 /nfs/dbraw/zinc/14/44/60/609144460.db2.gz WJWQXUUXLOIYSJ-KDOFPFPSSA-N -1 3 365.437 3.164 20 0 FGADHM COCCOc1cccc(N[C@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC000826163273 609176131 /nfs/dbraw/zinc/17/61/31/609176131.db2.gz MTDMJLLXXFHJBZ-GFCCVEGCSA-N -1 3 357.389 3.204 20 0 FGADHM COCCOc1cccc(N[C@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC000826163273 609176133 /nfs/dbraw/zinc/17/61/33/609176133.db2.gz MTDMJLLXXFHJBZ-GFCCVEGCSA-N -1 3 357.389 3.204 20 0 FGADHM CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000825435152 609199746 /nfs/dbraw/zinc/19/97/46/609199746.db2.gz NNMCACLKJLSHGN-UHFFFAOYSA-N -1 3 365.224 3.164 20 0 FGADHM CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000825435152 609199747 /nfs/dbraw/zinc/19/97/47/609199747.db2.gz NNMCACLKJLSHGN-UHFFFAOYSA-N -1 3 365.224 3.164 20 0 FGADHM Cc1cc(C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)nn1[C@@H](C)C1CC1 ZINC000826260778 609233995 /nfs/dbraw/zinc/23/39/95/609233995.db2.gz DNJSMBLUFCWQJR-QWHCGFSZSA-N -1 3 366.425 3.261 20 0 FGADHM Cc1cc(C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)nn1[C@@H](C)C1CC1 ZINC000826260778 609233997 /nfs/dbraw/zinc/23/39/97/609233997.db2.gz DNJSMBLUFCWQJR-QWHCGFSZSA-N -1 3 366.425 3.261 20 0 FGADHM COc1ccc(N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c(OC)c1OC ZINC000826210393 609247611 /nfs/dbraw/zinc/24/76/11/609247611.db2.gz PPBBWHWPCGLLOM-LLVKDONJSA-N -1 3 355.398 3.066 20 0 FGADHM COc1ccc(N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c(OC)c1OC ZINC000826210393 609247613 /nfs/dbraw/zinc/24/76/13/609247613.db2.gz PPBBWHWPCGLLOM-LLVKDONJSA-N -1 3 355.398 3.066 20 0 FGADHM c1cc(N2CCCC2)ncc1N[C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000826517232 609252534 /nfs/dbraw/zinc/25/25/34/609252534.db2.gz VTVZGKLJWJCMBT-SFHVURJKSA-N -1 3 361.453 3.351 20 0 FGADHM CC(C)[C@@H](N[C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21)C(=O)OC(C)(C)C ZINC000824337564 609254297 /nfs/dbraw/zinc/25/42/97/609254297.db2.gz AXAJINLGWQXXFX-IAGOWNOFSA-N -1 3 371.485 3.200 20 0 FGADHM CC(C)[C@@H](N[C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21)C(=O)OC(C)(C)C ZINC000824337564 609254299 /nfs/dbraw/zinc/25/42/99/609254299.db2.gz AXAJINLGWQXXFX-IAGOWNOFSA-N -1 3 371.485 3.200 20 0 FGADHM C[C@H](Nc1cccc(-c2nnnn2C2CC2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824662066 609273215 /nfs/dbraw/zinc/27/32/15/609273215.db2.gz BLCMHDWLHQIEIG-LBPRGKRZSA-N -1 3 373.424 3.028 20 0 FGADHM C[C@H](Nc1cccc(-c2nnnn2C2CC2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824662066 609273217 /nfs/dbraw/zinc/27/32/17/609273217.db2.gz BLCMHDWLHQIEIG-LBPRGKRZSA-N -1 3 373.424 3.028 20 0 FGADHM Cc1cc(Cl)c(C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)cc1C ZINC000826267370 609282327 /nfs/dbraw/zinc/28/23/27/609282327.db2.gz CIEPCFUODRSHBC-UHFFFAOYSA-N -1 3 353.813 3.340 20 0 FGADHM Cc1cc(Cl)c(C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)cc1C ZINC000826267370 609282329 /nfs/dbraw/zinc/28/23/29/609282329.db2.gz CIEPCFUODRSHBC-UHFFFAOYSA-N -1 3 353.813 3.340 20 0 FGADHM O=C(Nc1cccc(OC(F)F)c1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826456960 609289078 /nfs/dbraw/zinc/28/90/78/609289078.db2.gz GKQYJMLGNYVOLV-UHFFFAOYSA-N -1 3 365.727 3.374 20 0 FGADHM O=C(Nc1cccc(OC(F)F)c1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826456960 609289079 /nfs/dbraw/zinc/28/90/79/609289079.db2.gz GKQYJMLGNYVOLV-UHFFFAOYSA-N -1 3 365.727 3.374 20 0 FGADHM CC(C)(CNC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)c1ccccc1F ZINC000824157787 609289507 /nfs/dbraw/zinc/28/95/07/609289507.db2.gz MKFLVJKKMKQVCT-UHFFFAOYSA-N -1 3 373.819 3.367 20 0 FGADHM CC(C)(CNC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)c1ccccc1F ZINC000824157787 609289509 /nfs/dbraw/zinc/28/95/09/609289509.db2.gz MKFLVJKKMKQVCT-UHFFFAOYSA-N -1 3 373.819 3.367 20 0 FGADHM C[C@@H](c1ccco1)N(C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)C1CC1 ZINC000824773218 609297505 /nfs/dbraw/zinc/29/75/05/609297505.db2.gz ZXXHGASQIJMNDU-JTQLQIEISA-N -1 3 357.801 3.479 20 0 FGADHM C[C@@H](c1ccco1)N(C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)C1CC1 ZINC000824773218 609297506 /nfs/dbraw/zinc/29/75/06/609297506.db2.gz ZXXHGASQIJMNDU-JTQLQIEISA-N -1 3 357.801 3.479 20 0 FGADHM O=C(NC1(c2ccccc2F)CC1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826429007 609300821 /nfs/dbraw/zinc/30/08/21/609300821.db2.gz REIRZMKVAGTZID-UHFFFAOYSA-N -1 3 357.776 3.078 20 0 FGADHM O=C(NC1(c2ccccc2F)CC1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826429007 609300823 /nfs/dbraw/zinc/30/08/23/609300823.db2.gz REIRZMKVAGTZID-UHFFFAOYSA-N -1 3 357.776 3.078 20 0 FGADHM CC[C@@H](C)n1nc(C(=O)Nc2sc(C)c(C)c2-c2nnn[n-]2)cc1C ZINC000825082158 609303894 /nfs/dbraw/zinc/30/38/94/609303894.db2.gz QUNHYUITDAQTBG-MRVPVSSYSA-N -1 3 359.459 3.273 20 0 FGADHM CC[C@@H](C)n1nc(C(=O)Nc2sc(C)c(C)c2-c2nn[n-]n2)cc1C ZINC000825082158 609303896 /nfs/dbraw/zinc/30/38/96/609303896.db2.gz QUNHYUITDAQTBG-MRVPVSSYSA-N -1 3 359.459 3.273 20 0 FGADHM FC(F)O[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C1 ZINC000826369720 609317221 /nfs/dbraw/zinc/31/72/21/609317221.db2.gz OFIDJDCQLHFJKR-SECBINFHSA-N -1 3 363.290 3.094 20 0 FGADHM FC(F)O[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C1 ZINC000826369720 609317224 /nfs/dbraw/zinc/31/72/24/609317224.db2.gz OFIDJDCQLHFJKR-SECBINFHSA-N -1 3 363.290 3.094 20 0 FGADHM CCC(CC)[C@@H]1C[C@@H](Nc2nc3c(cc2-c2nnn[n-]2)CCC3)CCO1 ZINC000825106605 609322242 /nfs/dbraw/zinc/32/22/42/609322242.db2.gz GLXXOVIKOGVPNH-YOEHRIQHSA-N -1 3 356.474 3.146 20 0 FGADHM CCC(CC)[C@@H]1C[C@@H](Nc2nc3c(cc2-c2nn[n-]n2)CCC3)CCO1 ZINC000825106605 609322244 /nfs/dbraw/zinc/32/22/44/609322244.db2.gz GLXXOVIKOGVPNH-YOEHRIQHSA-N -1 3 356.474 3.146 20 0 FGADHM CC[C@H](C)n1nc(C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000825081131 609327278 /nfs/dbraw/zinc/32/72/78/609327278.db2.gz GPQQJTIYXBZVKV-WCQYABFASA-N -1 3 354.414 3.261 20 0 FGADHM CC[C@H](C)n1nc(C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000825081131 609327279 /nfs/dbraw/zinc/32/72/79/609327279.db2.gz GPQQJTIYXBZVKV-WCQYABFASA-N -1 3 354.414 3.261 20 0 FGADHM Brc1cc(-c2nnn[n-]2)ccc1CSC[C@H]1CCCOC1 ZINC000823821735 609328527 /nfs/dbraw/zinc/32/85/27/609328527.db2.gz YWFVEMNLJXDYLK-JTQLQIEISA-N -1 3 369.288 3.289 20 0 FGADHM Brc1cc(-c2nn[n-]n2)ccc1CSC[C@H]1CCCOC1 ZINC000823821735 609328528 /nfs/dbraw/zinc/32/85/28/609328528.db2.gz YWFVEMNLJXDYLK-JTQLQIEISA-N -1 3 369.288 3.289 20 0 FGADHM COCC[C@H](C)SCc1ccc(-c2nnn[n-]2)cc1Br ZINC000826154551 609329390 /nfs/dbraw/zinc/32/93/90/609329390.db2.gz RJUAVMACFWJQJS-VIFPVBQESA-N -1 3 357.277 3.287 20 0 FGADHM COCC[C@H](C)SCc1ccc(-c2nn[n-]n2)cc1Br ZINC000826154551 609329392 /nfs/dbraw/zinc/32/93/92/609329392.db2.gz RJUAVMACFWJQJS-VIFPVBQESA-N -1 3 357.277 3.287 20 0 FGADHM C[C@@H](NCc1ccc(OCC2CC2)nc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824617118 609331875 /nfs/dbraw/zinc/33/18/75/609331875.db2.gz DLKSKBMVWNOYDQ-GFCCVEGCSA-N -1 3 368.416 3.040 20 0 FGADHM CCc1ccc([C@@H](COC)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2F)o1 ZINC000825704401 609337957 /nfs/dbraw/zinc/33/79/57/609337957.db2.gz GUFPVPHPKMPSTD-MEDUHNTESA-N -1 3 359.405 3.200 20 0 FGADHM CCc1ccc([C@@H](COC)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2F)o1 ZINC000825704401 609337958 /nfs/dbraw/zinc/33/79/58/609337958.db2.gz GUFPVPHPKMPSTD-MEDUHNTESA-N -1 3 359.405 3.200 20 0 FGADHM Cc1ccc(NCc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)c(F)c1 ZINC000826291666 609343122 /nfs/dbraw/zinc/34/31/22/609343122.db2.gz QASQJGAEOFSKRK-UHFFFAOYSA-N -1 3 363.400 3.327 20 0 FGADHM Cc1ccc(NCc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)c(F)c1 ZINC000826291666 609343123 /nfs/dbraw/zinc/34/31/23/609343123.db2.gz QASQJGAEOFSKRK-UHFFFAOYSA-N -1 3 363.400 3.327 20 0 FGADHM COCCOCc1cccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000826161136 609346247 /nfs/dbraw/zinc/34/62/47/609346247.db2.gz VKGXEYQURZCLCM-ZDUSSCGKSA-N -1 3 371.416 3.342 20 0 FGADHM COCCOCc1cccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000826161136 609346249 /nfs/dbraw/zinc/34/62/49/609346249.db2.gz VKGXEYQURZCLCM-ZDUSSCGKSA-N -1 3 371.416 3.342 20 0 FGADHM C[C@H](Nc1ccc2c(c1)N(C)CCO2)c1ccc(-c2nnn[n-]2)cc1F ZINC000824656571 609349097 /nfs/dbraw/zinc/34/90/97/609349097.db2.gz MACDAHMLUVXVAJ-NSHDSACASA-N -1 3 354.389 3.008 20 0 FGADHM C[C@H](Nc1ccc2c(c1)N(C)CCO2)c1ccc(-c2nn[n-]n2)cc1F ZINC000824656571 609349098 /nfs/dbraw/zinc/34/90/98/609349098.db2.gz MACDAHMLUVXVAJ-NSHDSACASA-N -1 3 354.389 3.008 20 0 FGADHM CN(Cc1ccccc1)Cc1ccc(-c2nnn[n-]2)cc1Br ZINC000825981835 609356178 /nfs/dbraw/zinc/35/61/78/609356178.db2.gz YWGKFGDTOCDBIF-UHFFFAOYSA-N -1 3 358.243 3.261 20 0 FGADHM CN(Cc1ccccc1)Cc1ccc(-c2nn[n-]n2)cc1Br ZINC000825981835 609356180 /nfs/dbraw/zinc/35/61/80/609356180.db2.gz YWGKFGDTOCDBIF-UHFFFAOYSA-N -1 3 358.243 3.261 20 0 FGADHM C[C@@H](NCc1ccc(-c2nn[n-]n2)cc1Br)c1cccc(O)c1 ZINC000824612107 609368103 /nfs/dbraw/zinc/36/81/03/609368103.db2.gz IZSAZCJSIADWKK-SNVBAGLBSA-N -1 3 374.242 3.186 20 0 FGADHM CCc1c(C)sc(NC(=O)C[C@H]2CCO[C@@H](CC)C2)c1-c1nnn[n-]1 ZINC000825686939 609382572 /nfs/dbraw/zinc/38/25/72/609382572.db2.gz CEMFRCIZNWNVKL-RYUDHWBXSA-N -1 3 363.487 3.333 20 0 FGADHM CCc1c(C)sc(NC(=O)C[C@H]2CCO[C@@H](CC)C2)c1-c1nn[n-]n1 ZINC000825686939 609382574 /nfs/dbraw/zinc/38/25/74/609382574.db2.gz CEMFRCIZNWNVKL-RYUDHWBXSA-N -1 3 363.487 3.333 20 0 FGADHM O=C(CCCCNc1ccc(F)cc1-c1nnn[n-]1)OCc1ccccc1 ZINC000826406264 609390645 /nfs/dbraw/zinc/39/06/45/609390645.db2.gz OWRPZYPTHBPYAY-UHFFFAOYSA-N -1 3 369.400 3.331 20 0 FGADHM O=C(CCCCNc1ccc(F)cc1-c1nn[n-]n1)OCc1ccccc1 ZINC000826406264 609390647 /nfs/dbraw/zinc/39/06/47/609390647.db2.gz OWRPZYPTHBPYAY-UHFFFAOYSA-N -1 3 369.400 3.331 20 0 FGADHM O=C(CCCCNc1ccc(-c2nn[n-]n2)cc1)OCc1ccccc1 ZINC000826406471 609390906 /nfs/dbraw/zinc/39/09/06/609390906.db2.gz YOVMFVDTRALAAG-UHFFFAOYSA-N -1 3 351.410 3.192 20 0 FGADHM CC[C@@H]1C[C@@H](CC(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)CCO1 ZINC000825181106 609394247 /nfs/dbraw/zinc/39/42/47/609394247.db2.gz CBSGZNYJHLJLIH-DZGCQCFKSA-N -1 3 373.457 3.188 20 0 FGADHM CC[C@@H]1C[C@@H](CC(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)CCO1 ZINC000825181106 609394249 /nfs/dbraw/zinc/39/42/49/609394249.db2.gz CBSGZNYJHLJLIH-DZGCQCFKSA-N -1 3 373.457 3.188 20 0 FGADHM COc1ccc2c(c1)C[C@@H](C)N(C(=O)c1cccc(-c3nnn[n-]3)c1)[C@H]2C ZINC000826212519 609408439 /nfs/dbraw/zinc/40/84/39/609408439.db2.gz TYIVNKLLBKZXPV-OLZOCXBDSA-N -1 3 363.421 3.023 20 0 FGADHM COc1ccc2c(c1)C[C@@H](C)N(C(=O)c1cccc(-c3nn[n-]n3)c1)[C@H]2C ZINC000826212519 609408440 /nfs/dbraw/zinc/40/84/40/609408440.db2.gz TYIVNKLLBKZXPV-OLZOCXBDSA-N -1 3 363.421 3.023 20 0 FGADHM CC(C)Nc1cc(F)ccc1NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000824304599 609438498 /nfs/dbraw/zinc/43/84/98/609438498.db2.gz CHQKRTKJIZHCOU-UHFFFAOYSA-N -1 3 356.405 3.317 20 0 FGADHM Cc1nc2c(c(N3CC=C(c4ccc(-c5nnn[n-]5)cc4)CC3)n1)CCCC2 ZINC000826328323 609440242 /nfs/dbraw/zinc/44/02/42/609440242.db2.gz NIJITPHRSFAIEZ-UHFFFAOYSA-N -1 3 373.464 3.138 20 0 FGADHM Cc1nc2c(c(N3CC=C(c4ccc(-c5nn[n-]n5)cc4)CC3)n1)CCCC2 ZINC000826328323 609440245 /nfs/dbraw/zinc/44/02/45/609440245.db2.gz NIJITPHRSFAIEZ-UHFFFAOYSA-N -1 3 373.464 3.138 20 0 FGADHM CC(C)NC(=O)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824305158 609441141 /nfs/dbraw/zinc/44/11/41/609441141.db2.gz MHAOULPQKKLHGE-CYBMUJFWSA-N -1 3 350.426 3.302 20 0 FGADHM CC(C)NC(=O)N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824305158 609441143 /nfs/dbraw/zinc/44/11/43/609441143.db2.gz MHAOULPQKKLHGE-CYBMUJFWSA-N -1 3 350.426 3.302 20 0 FGADHM Cc1nn2c(CNc3cccc(-c4nnn[n-]4)c3)c(C(C)C)nc2s1 ZINC000826334744 609475161 /nfs/dbraw/zinc/47/51/61/609475161.db2.gz HYQDVKUVMCQPQC-UHFFFAOYSA-N -1 3 354.443 3.015 20 0 FGADHM Cc1nn2c(CNc3cccc(-c4nn[n-]n4)c3)c(C(C)C)nc2s1 ZINC000826334744 609475163 /nfs/dbraw/zinc/47/51/63/609475163.db2.gz HYQDVKUVMCQPQC-UHFFFAOYSA-N -1 3 354.443 3.015 20 0 FGADHM COc1cc2c(c(CNc3cc(-c4nnn[n-]4)ccc3C)c1)O[C@@H](C)C2 ZINC000826179607 609478625 /nfs/dbraw/zinc/47/86/25/609478625.db2.gz WCAVJWFEOFPGCI-LBPRGKRZSA-N -1 3 351.410 3.119 20 0 FGADHM COc1cc2c(c(CNc3cc(-c4nn[n-]n4)ccc3C)c1)O[C@@H](C)C2 ZINC000826179607 609478626 /nfs/dbraw/zinc/47/86/26/609478626.db2.gz WCAVJWFEOFPGCI-LBPRGKRZSA-N -1 3 351.410 3.119 20 0 FGADHM Cc1cc(NCc2cccc(-c3nnn[n-]3)c2F)ccc1C(=O)NC(C)C ZINC000826271450 609479272 /nfs/dbraw/zinc/47/92/72/609479272.db2.gz RQORVNFEWDULEI-UHFFFAOYSA-N -1 3 368.416 3.065 20 0 FGADHM Cc1cc(NCc2cccc(-c3nn[n-]n3)c2F)ccc1C(=O)NC(C)C ZINC000826271450 609479274 /nfs/dbraw/zinc/47/92/74/609479274.db2.gz RQORVNFEWDULEI-UHFFFAOYSA-N -1 3 368.416 3.065 20 0 FGADHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CCCc1ccc(C)cc1 ZINC000826287285 609488391 /nfs/dbraw/zinc/48/83/91/609488391.db2.gz JMJVLIHNHNBSQR-UHFFFAOYSA-N -1 3 359.437 3.375 20 0 FGADHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CCCc1ccc(C)cc1 ZINC000826287285 609488393 /nfs/dbraw/zinc/48/83/93/609488393.db2.gz JMJVLIHNHNBSQR-UHFFFAOYSA-N -1 3 359.437 3.375 20 0 FGADHM Cc1cc(C(=O)Nc2cc(C)cc(C)c2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826264242 609506985 /nfs/dbraw/zinc/50/69/85/609506985.db2.gz HERSUDACAHWKIA-UHFFFAOYSA-N -1 3 373.420 3.230 20 0 FGADHM Cc1cc(C(=O)Nc2cc(C)cc(C)c2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826264242 609506986 /nfs/dbraw/zinc/50/69/86/609506986.db2.gz HERSUDACAHWKIA-UHFFFAOYSA-N -1 3 373.420 3.230 20 0 FGADHM CC[C@H]1C[C@@H](C(=O)N(CC(C)C)c2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000825176353 609523557 /nfs/dbraw/zinc/52/35/57/609523557.db2.gz QKMNEBINOHPMRW-RDJZCZTQSA-N -1 3 357.458 3.061 20 0 FGADHM CC[C@H]1C[C@@H](C(=O)N(CC(C)C)c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000825176353 609523559 /nfs/dbraw/zinc/52/35/59/609523559.db2.gz QKMNEBINOHPMRW-RDJZCZTQSA-N -1 3 357.458 3.061 20 0 FGADHM Cc1ccnc(NCc2ccc(Br)s2)c1-c1nn[n-]n1 ZINC000826314332 609531944 /nfs/dbraw/zinc/53/19/44/609531944.db2.gz RMXGFBLPQCVAHF-UHFFFAOYSA-N -1 3 351.233 3.006 20 0 FGADHM Cc1ccnc(NCc2ccc(Br)s2)c1-c1nnn[n-]1 ZINC000826314332 609531941 /nfs/dbraw/zinc/53/19/41/609531941.db2.gz RMXGFBLPQCVAHF-UHFFFAOYSA-N -1 3 351.233 3.006 20 0 FGADHM Cc1c(Cl)cnc(NCc2ccccc2-n2cccn2)c1-c1nnn[n-]1 ZINC000826240335 609541554 /nfs/dbraw/zinc/54/15/54/609541554.db2.gz NRSFVCQDSAEEJW-UHFFFAOYSA-N -1 3 366.816 3.021 20 0 FGADHM Cc1c(Cl)cnc(NCc2ccccc2-n2cccn2)c1-c1nn[n-]n1 ZINC000826240335 609541556 /nfs/dbraw/zinc/54/15/56/609541556.db2.gz NRSFVCQDSAEEJW-UHFFFAOYSA-N -1 3 366.816 3.021 20 0 FGADHM Cc1c(Cl)cnc(N2CCCC[C@@H]2c2nccs2)c1-c1nnn[n-]1 ZINC000826237871 609543955 /nfs/dbraw/zinc/54/39/55/609543955.db2.gz OEQWMFXIGKPGIW-LLVKDONJSA-N -1 3 361.862 3.412 20 0 FGADHM Cc1c(Cl)cnc(N2CCCC[C@@H]2c2nccs2)c1-c1nn[n-]n1 ZINC000826237871 609543956 /nfs/dbraw/zinc/54/39/56/609543956.db2.gz OEQWMFXIGKPGIW-LLVKDONJSA-N -1 3 361.862 3.412 20 0 FGADHM COc1ccc(CCNc2ncc(Cl)c(C)c2-c2nnn[n-]2)cc1F ZINC000826192368 609546043 /nfs/dbraw/zinc/54/60/43/609546043.db2.gz KSNXVQGOSGPKNB-UHFFFAOYSA-N -1 3 362.796 3.026 20 0 FGADHM COc1ccc(CCNc2ncc(Cl)c(C)c2-c2nn[n-]n2)cc1F ZINC000826192368 609546045 /nfs/dbraw/zinc/54/60/45/609546045.db2.gz KSNXVQGOSGPKNB-UHFFFAOYSA-N -1 3 362.796 3.026 20 0 FGADHM Cc1ccnc(NC[C@H](O)c2cc(Cl)cc(Cl)c2)c1-c1nnn[n-]1 ZINC000826312298 609557799 /nfs/dbraw/zinc/55/77/99/609557799.db2.gz AYJNBDQBDFZIPK-LBPRGKRZSA-N -1 3 365.224 3.022 20 0 FGADHM Cc1ccnc(NC[C@H](O)c2cc(Cl)cc(Cl)c2)c1-c1nn[n-]n1 ZINC000826312298 609557801 /nfs/dbraw/zinc/55/78/01/609557801.db2.gz AYJNBDQBDFZIPK-LBPRGKRZSA-N -1 3 365.224 3.022 20 0 FGADHM Cc1c(Cl)cnc(N[C@@H](C(=O)OC(C)(C)C)C(C)C)c1-c1nnn[n-]1 ZINC000826240545 609587415 /nfs/dbraw/zinc/58/74/15/609587415.db2.gz ZAVAPLFMHXBRCM-GFCCVEGCSA-N -1 3 366.853 3.002 20 0 FGADHM Cc1c(Cl)cnc(N[C@@H](C(=O)OC(C)(C)C)C(C)C)c1-c1nn[n-]n1 ZINC000826240545 609587417 /nfs/dbraw/zinc/58/74/17/609587417.db2.gz ZAVAPLFMHXBRCM-GFCCVEGCSA-N -1 3 366.853 3.002 20 0 FGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)N1CCC[C@H]1/C=C/c1ccccc1 ZINC000826441280 609593885 /nfs/dbraw/zinc/59/38/85/609593885.db2.gz XDEZKSGAWGELNF-QHSLDKKCSA-N -1 3 374.448 3.254 20 0 FGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)N1CCC[C@H]1/C=C/c1ccccc1 ZINC000826441280 609593889 /nfs/dbraw/zinc/59/38/89/609593889.db2.gz XDEZKSGAWGELNF-QHSLDKKCSA-N -1 3 374.448 3.254 20 0 FGADHM Cc1ccc2c(c1)[C@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)[C@@H](C)C2 ZINC000826294693 609603680 /nfs/dbraw/zinc/60/36/80/609603680.db2.gz ZBBMJGGHAFETTD-WLQQGUILSA-N -1 3 359.433 3.238 20 0 FGADHM Cc1ccc2c(c1)[C@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)[C@@H](C)C2 ZINC000826294693 609603682 /nfs/dbraw/zinc/60/36/82/609603682.db2.gz ZBBMJGGHAFETTD-WLQQGUILSA-N -1 3 359.433 3.238 20 0 FGADHM O=C(OCc1ccc(Cl)cc1-c1nnn[n-]1)C1=Cc2ccccc2OC1 ZINC000826465374 609613949 /nfs/dbraw/zinc/61/39/49/609613949.db2.gz KBASVLSAPLFGPM-UHFFFAOYSA-N -1 3 368.780 3.039 20 0 FGADHM O=C(OCc1ccc(Cl)cc1-c1nn[n-]n1)C1=Cc2ccccc2OC1 ZINC000826465374 609613950 /nfs/dbraw/zinc/61/39/50/609613950.db2.gz KBASVLSAPLFGPM-UHFFFAOYSA-N -1 3 368.780 3.039 20 0 FGADHM O=C(OCc1ccc(Cl)cc1-c1nnn[n-]1)c1cccc2cnccc21 ZINC000826465649 609615172 /nfs/dbraw/zinc/61/51/72/609615172.db2.gz WHEXYULXLSNHHC-UHFFFAOYSA-N -1 3 365.780 3.425 20 0 FGADHM O=C(OCc1ccc(Cl)cc1-c1nn[n-]n1)c1cccc2cnccc21 ZINC000826465649 609615173 /nfs/dbraw/zinc/61/51/73/609615173.db2.gz WHEXYULXLSNHHC-UHFFFAOYSA-N -1 3 365.780 3.425 20 0 FGADHM O=C(OCc1ccc(Cl)cc1-c1nnn[n-]1)[C@H]1CCc2ccccc21 ZINC000826465245 609616342 /nfs/dbraw/zinc/61/63/42/609616342.db2.gz FKTBBFMPBOJXFD-HNNXBMFYSA-N -1 3 354.797 3.293 20 0 FGADHM O=C(OCc1ccc(Cl)cc1-c1nn[n-]n1)[C@H]1CCc2ccccc21 ZINC000826465245 609616343 /nfs/dbraw/zinc/61/63/43/609616343.db2.gz FKTBBFMPBOJXFD-HNNXBMFYSA-N -1 3 354.797 3.293 20 0 FGADHM O=C(OCc1ccc(Cl)cc1-c1nnn[n-]1)c1ccc2ncsc2c1 ZINC000826465493 609616860 /nfs/dbraw/zinc/61/68/60/609616860.db2.gz PNOSRNYJURFJGV-UHFFFAOYSA-N -1 3 371.809 3.487 20 0 FGADHM O=C(OCc1ccc(Cl)cc1-c1nn[n-]n1)c1ccc2ncsc2c1 ZINC000826465493 609616861 /nfs/dbraw/zinc/61/68/61/609616861.db2.gz PNOSRNYJURFJGV-UHFFFAOYSA-N -1 3 371.809 3.487 20 0 FGADHM Cc1sc2[n-]c([C@H](C)OC(=O)Cc3ccc(O)cc3)nc(=O)c2c1C ZINC000007140356 695563662 /nfs/dbraw/zinc/56/36/62/695563662.db2.gz DMGSAHNDJRVNEV-JTQLQIEISA-N -1 3 358.419 3.154 20 0 FGADHM CC(=O)Nc1cccc(C(=O)N[N-]C(=O)c2ccc(Cl)cc2Cl)c1 ZINC000015621684 695620099 /nfs/dbraw/zinc/62/00/99/695620099.db2.gz HDSOXQHGQSJZPP-UHFFFAOYSA-N -1 3 366.204 3.027 20 0 FGADHM CCc1ccccc1OCC(=O)N[N-]C(=O)c1cccc(Cl)c1Cl ZINC000016516716 695630149 /nfs/dbraw/zinc/63/01/49/695630149.db2.gz QHIJEBGLBVXKGE-UHFFFAOYSA-N -1 3 367.232 3.396 20 0 FGADHM CC[C@H]1CCCCN1C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000029736311 695715942 /nfs/dbraw/zinc/71/59/42/695715942.db2.gz CPHJJCGEXYFQKN-AWEZNQCLSA-N -1 3 370.490 3.307 20 0 FGADHM Cc1cc(C)[n-]c(=NNC(=O)NCCc2ccc(Cl)cc2Cl)n1 ZINC000043002811 695788499 /nfs/dbraw/zinc/78/84/99/695788499.db2.gz CBINQQYRWBOBBW-UHFFFAOYSA-N -1 3 354.241 3.269 20 0 FGADHM CN(C)C(=O)c1cccc(C/N=C/c2cc(Br)ccc2[O-])c1 ZINC000046102163 695832061 /nfs/dbraw/zinc/83/20/61/695832061.db2.gz RKIPAEZAFLSDDN-YBFXNURJSA-N -1 3 361.239 3.476 20 0 FGADHM CCc1ccsc1C(=O)N[N-]C(=O)c1ccccc1Br ZINC000048910277 695891094 /nfs/dbraw/zinc/89/10/94/695891094.db2.gz NNZVVDRUWWFBMM-UHFFFAOYSA-N -1 3 353.241 3.148 20 0 FGADHM CCCC(C)(C)NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000050497655 695903545 /nfs/dbraw/zinc/90/35/45/695903545.db2.gz YZHPXQSHIKHJKR-UHFFFAOYSA-N -1 3 358.479 3.211 20 0 FGADHM O=C(OC[C@@H]1CCCO1)c1n[n-]c(-c2ccccc2)c1Br ZINC000069581819 695950974 /nfs/dbraw/zinc/95/09/74/695950974.db2.gz XPYLRULWJCNKBG-NSHDSACASA-N -1 3 351.200 3.175 20 0 FGADHM C[C@@](O)(C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)c1ccccc1 ZINC000070961621 695956683 /nfs/dbraw/zinc/95/66/83/695956683.db2.gz NRJIDGRPWSNHED-OAHLLOKOSA-N -1 3 360.262 3.179 20 0 FGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc3ccccc32)ccc1F ZINC000084258511 700354955 /nfs/dbraw/zinc/35/49/55/700354955.db2.gz LWHQVQQLQYEILD-UHFFFAOYSA-N -1 3 358.394 3.139 20 0 FGADHM CCN(CC)C(=O)C1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000092592770 700438046 /nfs/dbraw/zinc/43/80/46/700438046.db2.gz CODSFANDACFCOX-UHFFFAOYSA-N -1 3 369.849 3.034 20 0 FGADHM Cn1cc(C(=O)[N-]c2nc(Cc3ccccc3)ns2)c(C(F)(F)F)n1 ZINC000107198297 700514806 /nfs/dbraw/zinc/51/48/06/700514806.db2.gz GYSQBRNTKZTIEL-UHFFFAOYSA-N -1 3 367.356 3.134 20 0 FGADHM O=C([N-][C@@H]1CCN(c2ccccc2Cl)C1=O)C(F)(F)c1ccccc1 ZINC000110335096 700540824 /nfs/dbraw/zinc/54/08/24/700540824.db2.gz DQBVDMCMFOZAGM-CQSZACIVSA-N -1 3 364.779 3.354 20 0 FGADHM O=S(=O)([N-]CC[C@@H](O)c1ccccc1)c1cccc(Cl)c1Cl ZINC000123200840 700701853 /nfs/dbraw/zinc/70/18/53/700701853.db2.gz UXQHQNBKFJOZNM-CYBMUJFWSA-N -1 3 360.262 3.395 20 0 FGADHM O=C(COc1ccc(Cl)c(Cl)c1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000123602462 700707272 /nfs/dbraw/zinc/70/72/72/700707272.db2.gz CKFNBIVAKKYMJP-UHFFFAOYSA-N -1 3 364.192 3.191 20 0 FGADHM O=C(COc1ccc(Cl)c(Cl)c1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000123602462 700707275 /nfs/dbraw/zinc/70/72/75/700707275.db2.gz CKFNBIVAKKYMJP-UHFFFAOYSA-N -1 3 364.192 3.191 20 0 FGADHM Cc1cc(F)c(S(=O)(=O)[N-][C@H](C)C[C@H](O)c2ccc(F)cc2)cc1F ZINC000123906424 700712018 /nfs/dbraw/zinc/71/20/18/700712018.db2.gz DQNSSFPLKQRYHH-BZNIZROVSA-N -1 3 373.396 3.203 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]Cc2csc(C)n2)sc1Br ZINC000123972496 700712900 /nfs/dbraw/zinc/71/29/00/700712900.db2.gz ANOHAILSSOTTMR-UHFFFAOYSA-N -1 3 367.315 3.062 20 0 FGADHM COC(=O)C[C@H]([N-]S(=O)(=O)c1cc2ccccc2o1)c1cccs1 ZINC000133936515 704808731 /nfs/dbraw/zinc/80/87/31/704808731.db2.gz BIDPPQJASFQQSZ-LBPRGKRZSA-N -1 3 365.432 3.077 20 0 FGADHM CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000153480357 705000671 /nfs/dbraw/zinc/00/06/71/705000671.db2.gz FYPGNLFUSSHXEG-JTMRULEUSA-N -1 3 354.859 3.242 20 0 FGADHM Cc1cnc(C[N-]S(=O)(=O)c2cccc(C)c2Br)s1 ZINC000156405369 705114716 /nfs/dbraw/zinc/11/47/16/705114716.db2.gz PSMLKHHQDLKXGM-UHFFFAOYSA-N -1 3 361.286 3.001 20 0 FGADHM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(C)ccc2F)ccc1Cl ZINC000156744954 705130167 /nfs/dbraw/zinc/13/01/67/705130167.db2.gz FMLVLMAHNGHOSH-UHFFFAOYSA-N -1 3 357.790 3.375 20 0 FGADHM CCc1nn(C)c(OC)c1C/N=C/c1cc(Br)ccc1[O-] ZINC000156830940 705133564 /nfs/dbraw/zinc/13/35/64/705133564.db2.gz BZYWQTASVKPMCB-CAOOACKPSA-N -1 3 352.232 3.078 20 0 FGADHM Cc1ccc(N(C)C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)cc1 ZINC000156968642 705139222 /nfs/dbraw/zinc/13/92/22/705139222.db2.gz KJTXCVYHSDVMCY-UHFFFAOYSA-N -1 3 364.442 3.097 20 0 FGADHM Cc1ccc(OCC(=O)N[N-]C(=O)c2cc(C)c(F)cc2Cl)cc1C ZINC000161306955 705273207 /nfs/dbraw/zinc/27/32/07/705273207.db2.gz NTRYCYJBBQXINI-UHFFFAOYSA-N -1 3 364.804 3.244 20 0 FGADHM O=S(=O)([N-]C[C@]1(O)CCc2ccccc21)c1c(Cl)cccc1Cl ZINC000162233780 705291766 /nfs/dbraw/zinc/29/17/66/705291766.db2.gz VKRLXMNPHZKVEA-MRXNPFEDSA-N -1 3 372.273 3.106 20 0 FGADHM 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/nfs/dbraw/zinc/71/84/39/717718439.db2.gz CUEKQVAMXXIKHI-SECBINFHSA-N -1 3 356.751 3.124 20 0 FGADHM CC(C)[C@@H]1CCCN(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)C1 ZINC000640303413 717719212 /nfs/dbraw/zinc/71/92/12/717719212.db2.gz ZVLQRRWURKWBIQ-SNVBAGLBSA-N -1 3 352.788 3.421 20 0 FGADHM CCN(C(=O)N=c1[n-]n(C)cc1Br)[C@H](C)Cc1ccsc1 ZINC000640313499 717721143 /nfs/dbraw/zinc/72/11/43/717721143.db2.gz MODRNAMUPMLLRV-SNVBAGLBSA-N -1 3 371.304 3.151 20 0 FGADHM CC(=O)c1c(Cl)cccc1N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000641282902 717882792 /nfs/dbraw/zinc/88/27/92/717882792.db2.gz IZGMZKVCUONRNF-UHFFFAOYSA-N -1 3 358.825 3.211 20 0 FGADHM CC1(C)[C@H](CS(=O)(=O)[N-][C@@H](c2nccs2)c2ccccc2)C1(F)F ZINC000641318907 717888273 /nfs/dbraw/zinc/88/82/73/717888273.db2.gz NPUYDKSKOVVYBR-QWHCGFSZSA-N -1 3 372.462 3.443 20 0 FGADHM CCc1cc(=O)[n-]c(CN[C@@H](C)c2ccc(F)c(Br)c2)n1 ZINC000645194432 718192017 /nfs/dbraw/zinc/19/20/17/718192017.db2.gz WGRFCUVAYDJAAV-VIFPVBQESA-N -1 3 354.223 3.497 20 0 FGADHM CCC[C@@H]([N-]S(=O)(=O)c1coc(C(=O)N(C)C)c1C)c1ccccc1 ZINC000645438163 718211053 /nfs/dbraw/zinc/21/10/53/718211053.db2.gz XLSIZVFYKKAYKT-OAHLLOKOSA-N -1 3 364.467 3.110 20 0 FGADHM CCc1cc(C[N-]S(=O)(=O)c2cc(C(C)(C)C)ccc2OC)on1 ZINC000645560601 718223081 /nfs/dbraw/zinc/22/30/81/718223081.db2.gz ADDSNROBBBQSSK-UHFFFAOYSA-N -1 3 352.456 3.022 20 0 FGADHM COc1ccc(F)cc1S(=O)(=O)[N-]C[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000645583159 718225829 /nfs/dbraw/zinc/22/58/29/718225829.db2.gz ZOBPEVQEVLGUPU-JQWIXIFHSA-N -1 3 369.380 3.481 20 0 FGADHM Cc1noc(C(C)(C)[N-]S(=O)(=O)c2cc3cccc(C)c3s2)n1 ZINC000645697891 718233906 /nfs/dbraw/zinc/23/39/06/718233906.db2.gz JODMJPVXXYNSRP-UHFFFAOYSA-N -1 3 351.453 3.115 20 0 FGADHM O=C(c1cc([O-])ccc1Cl)N1CCN[C@@H](c2ccccc2Cl)C1 ZINC000646172019 718268566 /nfs/dbraw/zinc/26/85/66/718268566.db2.gz FBGWUFWSIWTATL-MRXNPFEDSA-N -1 3 351.233 3.486 20 0 FGADHM CS(=O)(=O)Cc1cccc(NC(=O)c2cc([O-])cc(C(F)(F)F)c2)c1 ZINC000646782572 718314083 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FGADHM CSc1ccc([O-])c(C(=O)N2CCC(c3nncn3C3CC3)CC2)c1 ZINC000668449610 721292361 /nfs/dbraw/zinc/29/23/61/721292361.db2.gz WRGFAZQNIYPOSW-UHFFFAOYSA-N -1 3 358.467 3.060 20 0 FGADHM CCOc1cc(CN2CCn3c(nnc3C(C)(C)C)C2)cc(Cl)c1[O-] ZINC000668770232 721353784 /nfs/dbraw/zinc/35/37/84/721353784.db2.gz WUBKLOFCLSZRPU-UHFFFAOYSA-N -1 3 364.877 3.349 20 0 FGADHM Cc1nc(NC(=O)NCc2ncccc2[O-])sc1Cc1ccccc1 ZINC000669468324 721454937 /nfs/dbraw/zinc/45/49/37/721454937.db2.gz FGILLTIWPJZGPC-UHFFFAOYSA-N -1 3 354.435 3.465 20 0 FGADHM Cc1cc(C)cc(CCC(=O)[N-]OC[C@@H](C)NC(=O)OC(C)(C)C)c1 ZINC000783660328 724775883 /nfs/dbraw/zinc/77/58/83/724775883.db2.gz CSVFLSLHWXKNKE-OAHLLOKOSA-N -1 3 350.459 3.197 20 0 FGADHM CN(C)[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1F)c1cccc(F)c1 ZINC000671167854 721570323 /nfs/dbraw/zinc/57/03/23/721570323.db2.gz IHKBVSAXXPLEOL-OAHLLOKOSA-N -1 3 374.840 3.199 20 0 FGADHM CN(C)[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1F)c1cccc(F)c1 ZINC000671167851 721570373 /nfs/dbraw/zinc/57/03/73/721570373.db2.gz IHKBVSAXXPLEOL-HNNXBMFYSA-N -1 3 374.840 3.199 20 0 FGADHM Cc1cc(C)n2nc(C(=O)[N-]c3csc(-c4ccccc4)n3)nc2n1 ZINC000672333839 721630496 /nfs/dbraw/zinc/63/04/96/721630496.db2.gz OSKPVEHNAIDQHI-UHFFFAOYSA-N -1 3 350.407 3.117 20 0 FGADHM O=S(=O)([N-]C1(C(F)F)CCCC1)c1ccccc1OC(F)(F)F ZINC000673586913 721667219 /nfs/dbraw/zinc/66/72/19/721667219.db2.gz IYCPRHYYIZDDKE-UHFFFAOYSA-N -1 3 359.316 3.441 20 0 FGADHM COC[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1F)c1cccc(Cl)c1 ZINC000673589524 721667369 /nfs/dbraw/zinc/66/73/69/721667369.db2.gz RYFQTRCBRQFFMC-CQSZACIVSA-N -1 3 361.797 3.284 20 0 FGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@@H](C)C2CCCC2)cc1OC ZINC000674083666 721682133 /nfs/dbraw/zinc/68/21/33/721682133.db2.gz BKASKMLPOBYBEO-LBPRGKRZSA-N -1 3 354.472 3.222 20 0 FGADHM CCN(CC)Cc1ccc(C(=O)Nc2nc(Br)ccc2[O-])o1 ZINC000783901125 724801230 /nfs/dbraw/zinc/80/12/30/724801230.db2.gz QPFHMIRWYTYSGZ-UHFFFAOYSA-N -1 3 368.231 3.237 20 0 FGADHM 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CCN(C(=O)c1cccc(Cl)n1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825385434 729381255 /nfs/dbraw/zinc/38/12/55/729381255.db2.gz FQLZUVUQRPWGIK-UHFFFAOYSA-N -1 3 363.208 3.235 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)[C@@H]1CC[C@H](C)C1 ZINC000825603757 729389162 /nfs/dbraw/zinc/38/91/62/729389162.db2.gz BASFMDIHFXFPFS-VHSXEESVSA-N -1 3 350.806 3.260 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)[C@@H]1CC[C@H](C)C1 ZINC000825603757 729389163 /nfs/dbraw/zinc/38/91/63/729389163.db2.gz BASFMDIHFXFPFS-VHSXEESVSA-N -1 3 350.806 3.260 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)[C@H]1CC[C@@H](C)C1 ZINC000825603758 729389233 /nfs/dbraw/zinc/38/92/33/729389233.db2.gz BASFMDIHFXFPFS-ZJUUUORDSA-N -1 3 350.806 3.260 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)[C@H]1CC[C@@H](C)C1 ZINC000825603758 729389235 /nfs/dbraw/zinc/38/92/35/729389235.db2.gz BASFMDIHFXFPFS-ZJUUUORDSA-N -1 3 350.806 3.260 20 0 FGADHM [O-]C(=NO[C@H]1CCCCO1)Nc1ccc(F)c(Br)c1F ZINC000825652064 729390363 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O=C(CSc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)NC1CCCC1 ZINC000826420208 729407822 /nfs/dbraw/zinc/40/78/22/729407822.db2.gz CUCLJZNRIDAFIF-UHFFFAOYSA-N -1 3 371.388 3.036 20 0 FGADHM O=C(CSc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)NC1CCCC1 ZINC000826420208 729407824 /nfs/dbraw/zinc/40/78/24/729407824.db2.gz CUCLJZNRIDAFIF-UHFFFAOYSA-N -1 3 371.388 3.036 20 0 FGADHM Nc1nc(Cl)cc(Sc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)n1 ZINC000826396123 729407847 /nfs/dbraw/zinc/40/78/47/729407847.db2.gz HWPHEFOKSIWFSJ-UHFFFAOYSA-N -1 3 373.751 3.062 20 0 FGADHM Nc1nc(Cl)cc(Sc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)n1 ZINC000826396123 729407849 /nfs/dbraw/zinc/40/78/49/729407849.db2.gz HWPHEFOKSIWFSJ-UHFFFAOYSA-N -1 3 373.751 3.062 20 0 FGADHM O=C(N[C@@H]1CCSc2ccc(Cl)cc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000826432179 729407940 /nfs/dbraw/zinc/40/79/40/729407940.db2.gz UFDXYZLZXRRBDQ-CQSZACIVSA-N -1 3 371.853 3.487 20 0 FGADHM O=C(N[C@@H]1CCSc2ccc(Cl)cc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000826432179 729407941 /nfs/dbraw/zinc/40/79/41/729407941.db2.gz UFDXYZLZXRRBDQ-CQSZACIVSA-N -1 3 371.853 3.487 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)Nc1cncc(Cl)c1Cl ZINC000826402005 729407978 /nfs/dbraw/zinc/40/79/78/729407978.db2.gz KXCQYDWMULOQEM-WAYWQWQTSA-N -1 3 361.192 3.220 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)Nc1cncc(Cl)c1Cl ZINC000826402005 729407979 /nfs/dbraw/zinc/40/79/79/729407979.db2.gz KXCQYDWMULOQEM-WAYWQWQTSA-N -1 3 361.192 3.220 20 0 FGADHM O=C(CCCc1ccc([O-])c(F)c1)NCc1ccc(Br)cn1 ZINC000826814077 729416080 /nfs/dbraw/zinc/41/60/80/729416080.db2.gz OZZKUNHBZZRURJ-UHFFFAOYSA-N -1 3 367.218 3.328 20 0 FGADHM C[C@@H]1CN(C(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)C[C@@H](C)C1(F)F ZINC000827016889 729421690 /nfs/dbraw/zinc/42/16/90/729421690.db2.gz WFTSZPKGBZDVNP-RKDXNWHRSA-N -1 3 356.319 3.170 20 0 FGADHM CSc1ccc([O-])c(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C)c1 ZINC000827072962 729423354 /nfs/dbraw/zinc/42/33/54/729423354.db2.gz NFVGIIGRMORTNC-GFCCVEGCSA-N -1 3 366.483 3.196 20 0 FGADHM O=C(NCC[C@@H]1CCCC1(F)F)c1c[n-]c2cc(F)c(F)cc2c1=O 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20 0 FGADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1cc(C(C)(C)C)ccc1OC ZINC000836203699 729947070 /nfs/dbraw/zinc/94/70/70/729947070.db2.gz COFFRYCVZQJCIX-UHFFFAOYSA-N -1 3 352.431 3.388 20 0 FGADHM O=C([N-]C1(CF)CCOCC1)C(F)(F)c1ccccc1Br ZINC000836794543 729970266 /nfs/dbraw/zinc/97/02/66/729970266.db2.gz CRDRBWAXELTHSZ-UHFFFAOYSA-N -1 3 366.177 3.176 20 0 FGADHM C[C@@H]([N-]C(=O)C(F)(F)c1ccccc1Br)c1ccn(C)n1 ZINC000838243405 730102785 /nfs/dbraw/zinc/10/27/85/730102785.db2.gz VZMURXQRMAXLDL-SECBINFHSA-N -1 3 358.186 3.152 20 0 FGADHM C=Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCO[C@H](C)C3)cc2)cc1 ZINC000840912343 730190244 /nfs/dbraw/zinc/19/02/44/730190244.db2.gz DRKFCCXZXXGIHD-OAHLLOKOSA-N -1 3 358.463 3.356 20 0 FGADHM C=Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCOC[C@H]3C)cc2)cc1 ZINC000840912236 730190332 /nfs/dbraw/zinc/19/03/32/730190332.db2.gz CSKQQOATPCYBHK-OAHLLOKOSA-N -1 3 358.463 3.356 20 0 FGADHM COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCC[C@H]1C(C)(C)C ZINC000841566118 730257509 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CC(C)(C)OC(=O)N1CC[C@](F)(C(=O)Nc2c([O-])cccc2Cl)C1 ZINC000848140935 731134508 /nfs/dbraw/zinc/13/45/08/731134508.db2.gz XEPRKDVPAFUSHP-MRXNPFEDSA-N -1 3 358.797 3.333 20 0 FGADHM COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-][C@@H](C)c2cccs2)c1 ZINC000848424658 731163544 /nfs/dbraw/zinc/16/35/44/731163544.db2.gz FQGKWYXPUDFBQZ-JTQLQIEISA-N -1 3 357.428 3.022 20 0 FGADHM O=S(=O)([N-][C@@H](C[C@H]1CCCO1)C(F)(F)F)c1cnc2ccccc2c1 ZINC000848509982 731173015 /nfs/dbraw/zinc/17/30/15/731173015.db2.gz NKMACEWKPILHOA-DOMZBBRYSA-N -1 3 374.384 3.013 20 0 FGADHM CC[C@H](C)Oc1cccc(S(=O)(=O)[N-][C@](C)(COC)C(F)(F)F)c1 ZINC000849335377 731248867 /nfs/dbraw/zinc/24/88/67/731248867.db2.gz QTGSGWNPKFJNIN-SMDDNHRTSA-N -1 3 369.405 3.110 20 0 FGADHM CC[C@@H](C)Oc1cccc(S(=O)(=O)[N-][C@@](C)(COC)C(F)(F)F)c1 ZINC000849335375 731248880 /nfs/dbraw/zinc/24/88/80/731248880.db2.gz QTGSGWNPKFJNIN-RISCZKNCSA-N -1 3 369.405 3.110 20 0 FGADHM COc1ccccc1[C@@H]1C[C@H]1[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000849472147 731263141 /nfs/dbraw/zinc/26/31/41/731263141.db2.gz AELGOGKMJMMGHC-WDEREUQCSA-N -1 3 373.261 3.231 20 0 FGADHM O=C(OCc1ccsc1Cl)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000849684604 731272389 /nfs/dbraw/zinc/27/23/89/731272389.db2.gz GFJYSVNNUMDDIW-ZDUSSCGKSA-N -1 3 365.838 3.455 20 0 FGADHM C[C@@H](OC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C)c1coc2ccccc21 ZINC000851478345 731463795 /nfs/dbraw/zinc/46/37/95/731463795.db2.gz VOVDJFFMBNWUEY-ABAIWWIYSA-N -1 3 353.440 3.001 20 0 FGADHM O=S(=O)([N-]CCC1SCCS1)c1cc(Cl)ccc1Cl ZINC000851846329 731508270 /nfs/dbraw/zinc/50/82/70/731508270.db2.gz TURVTJNFNDUQKT-UHFFFAOYSA-N -1 3 358.337 3.468 20 0 FGADHM CC(C)(C)CN(CC(=O)[O-])Cc1ccccc1I ZINC000854244260 731807690 /nfs/dbraw/zinc/80/76/90/731807690.db2.gz XACIMXLXPLCEHB-UHFFFAOYSA-N -1 3 361.223 3.224 20 0 FGADHM CCOC(=O)c1cc(NC(=O)c2[n-]cnc2C(F)(F)F)c(F)cc1C ZINC000854391346 731823662 /nfs/dbraw/zinc/82/36/62/731823662.db2.gz FXJVVIGZEAKQPO-UHFFFAOYSA-N -1 3 359.279 3.305 20 0 FGADHM 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/nfs/dbraw/zinc/11/57/47/732115747.db2.gz BIFFHYNIHLOAAK-UHFFFAOYSA-N -1 3 369.393 3.145 20 0 FGADHM C/C(=C/C(=O)N[C@H](C)[C@@H](C)C(=O)Nc1ncccc1[O-])c1cccs1 ZINC000857721063 732157177 /nfs/dbraw/zinc/15/71/77/732157177.db2.gz YFCWWKCARIOBDO-QVDRPMGRSA-N -1 3 359.451 3.032 20 0 FGADHM Cc1c(Br)ccc([O-])c1NC(=O)c1cn2c(n1)CC[C@@H](C)C2 ZINC000857955739 732171951 /nfs/dbraw/zinc/17/19/51/732171951.db2.gz QTTMUIABKPWGON-SECBINFHSA-N -1 3 364.243 3.494 20 0 FGADHM CC[C@@H](CCc1ccccc1)[N-]S(=O)(=O)c1c(C)nn(C)c1Cl ZINC000859293020 732305312 /nfs/dbraw/zinc/30/53/12/732305312.db2.gz RWEDXVRFLKPIAL-AWEZNQCLSA-N -1 3 355.891 3.072 20 0 FGADHM CCC[C@H](C)NC(=O)[C@@H](C)OC(=O)c1cc([O-])cc(Br)c1 ZINC000860200382 732467794 /nfs/dbraw/zinc/46/77/94/732467794.db2.gz ARZQRSRUUPHXDY-VHSXEESVSA-N -1 3 358.232 3.005 20 0 FGADHM CCOCCO[N-]C(=O)c1c(F)ccc(C(F)(F)F)c1Br ZINC000860935545 732595826 /nfs/dbraw/zinc/59/58/26/732595826.db2.gz AHUUOCGYUCPQPE-UHFFFAOYSA-N -1 3 374.128 3.305 20 0 FGADHM Cc1c(CNC(C)(C)c2nc(C)cc(=O)[n-]2)sc2nc(C)nc(C)c12 ZINC000862432507 732834787 /nfs/dbraw/zinc/83/47/87/732834787.db2.gz GKLLKMHRTUALPJ-UHFFFAOYSA-N -1 3 357.483 3.445 20 0 FGADHM CCCc1ccc(S(=O)(=O)[N-]c2cc(C(=O)OC)cnc2Cl)cc1 ZINC000863449717 732964553 /nfs/dbraw/zinc/96/45/53/732964553.db2.gz VSDJYMOUJCETSP-UHFFFAOYSA-N -1 3 368.842 3.275 20 0 FGADHM O=c1cc(C[S@](=O)Cc2coc(C3CC3)n2)nc(-c2ccccc2)[n-]1 ZINC000864486049 733062505 /nfs/dbraw/zinc/06/25/05/733062505.db2.gz XPCQKOIPGHQQRD-VWLOTQADSA-N -1 3 355.419 3.164 20 0 FGADHM O=C([O-])[C@H](CCNCc1cccnc1Br)Cc1ccccc1 ZINC000864505326 733067798 /nfs/dbraw/zinc/06/77/98/733067798.db2.gz HWUFHHSRZDUQOI-CQSZACIVSA-N -1 3 363.255 3.267 20 0 FGADHM C[C@@H](Cc1ccccc1C(F)(F)F)N(C)Cc1cn(C)nc1C(=O)[O-] ZINC000864786333 733101445 /nfs/dbraw/zinc/10/14/45/733101445.db2.gz RQYPSUQOIPXLSS-NSHDSACASA-N -1 3 355.360 3.200 20 0 FGADHM CCO[C@@H]1COCC[C@@H]1CC(=O)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000866863230 733402136 /nfs/dbraw/zinc/40/21/36/733402136.db2.gz 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O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N1CC[C@H]1c1ccc(Cl)cc1 ZINC000075503969 494779310 /nfs/dbraw/zinc/77/93/10/494779310.db2.gz CYGDDQNGXNMWNL-HNNXBMFYSA-N -1 3 355.781 3.203 20 0 FGADHM CCCC[C@H](CC)CNC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000116462452 494791564 /nfs/dbraw/zinc/79/15/64/494791564.db2.gz LGGXTZAVIVLYJA-NSHDSACASA-N -1 3 366.936 3.012 20 0 FGADHM O=C(c1cccc([O-])c1)N1CCN(Cc2cc3cc(F)ccc3o2)CC1 ZINC000092937587 494791960 /nfs/dbraw/zinc/79/19/60/494791960.db2.gz PAZJCKVWVWLRAN-UHFFFAOYSA-N -1 3 354.381 3.236 20 0 FGADHM O=S(=O)([N-]C[C@H]1CCOc2ccccc21)c1ccc(F)cc1Cl ZINC000108874979 494798318 /nfs/dbraw/zinc/79/83/18/494798318.db2.gz CUCSIJUKVBCWTO-LLVKDONJSA-N -1 3 355.818 3.324 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]Cc2nc(C(F)(F)F)cs2)c(F)c1 ZINC000121556658 494802267 /nfs/dbraw/zinc/80/22/67/494802267.db2.gz KICHBMYSXMQPDZ-UHFFFAOYSA-N -1 3 354.350 3.088 20 0 FGADHM CC[C@@H]1CN(Cc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)CCO1 ZINC000026130276 494802695 /nfs/dbraw/zinc/80/26/95/494802695.db2.gz AEZMSYGGISGBMY-CQSZACIVSA-N -1 3 355.463 3.262 20 0 FGADHM CC(C)n1cnc(S(=O)(=O)[N-][C@H](c2cccc(F)c2)c2ccccn2)c1 ZINC000132075057 494813719 /nfs/dbraw/zinc/81/37/19/494813719.db2.gz CNWAIMCSFLMOLU-GOSISDBHSA-N -1 3 374.441 3.066 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CC[C@H](Oc3ccccc3Cl)C2)c1 ZINC000121605314 494817716 /nfs/dbraw/zinc/81/77/16/494817716.db2.gz FZHRPVFAVPXWLZ-AWEZNQCLSA-N -1 3 374.824 3.298 20 0 FGADHM CC(=O)c1cccc(OCC(=O)Nc2cc(Br)ccc2[O-])c1 ZINC000126684437 494819765 /nfs/dbraw/zinc/81/97/65/494819765.db2.gz XFEVSUDHQZNTPO-UHFFFAOYSA-N -1 3 364.195 3.375 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(F)c(OC)c3)c2)n1 ZINC000132168102 494832752 /nfs/dbraw/zinc/83/27/52/494832752.db2.gz DFSGKEIZQMOYPI-UHFFFAOYSA-N -1 3 367.380 3.399 20 0 FGADHM CCn1cc(C(=O)C(=O)[N-]c2nc3ccccc3n2-c2ccccc2)cn1 ZINC000126773651 494836130 /nfs/dbraw/zinc/83/61/30/494836130.db2.gz RRFJCCIGJCDHIS-UHFFFAOYSA-N -1 3 359.389 3.063 20 0 FGADHM CCN(Cc1ccc(Cl)s1)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000026864651 494842256 /nfs/dbraw/zinc/84/22/56/494842256.db2.gz LILWWIUJBKODCO-UHFFFAOYSA-N -1 3 372.899 3.435 20 0 FGADHM Cc1cnc([N-]C(=O)c2nnn(-c3cccc(F)c3)c2C(F)(F)F)s1 ZINC000121713156 494843648 /nfs/dbraw/zinc/84/36/48/494843648.db2.gz DKRYBSXHGXZOEV-UHFFFAOYSA-N -1 3 371.319 3.442 20 0 FGADHM O=C([N-]c1n[nH]c(Cc2cccc(F)c2)n1)c1noc2c1CCCCC2 ZINC000121725810 494846174 /nfs/dbraw/zinc/84/61/74/494846174.db2.gz FZVMIPPKHJQSHY-UHFFFAOYSA-N -1 3 355.373 3.044 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)Cc3ccc(F)cc3F)c2)n1 ZINC000121730444 494847555 /nfs/dbraw/zinc/84/75/55/494847555.db2.gz VEZWKIFTGJSTGY-UHFFFAOYSA-N -1 3 369.371 3.459 20 0 FGADHM CC(C)c1c(C(=O)[N-]N2CCCCC2=O)cnn1-c1cccc(Cl)c1 ZINC000121737698 494849115 /nfs/dbraw/zinc/84/91/15/494849115.db2.gz INZHZWCRMXXXQF-UHFFFAOYSA-N -1 3 360.845 3.306 20 0 FGADHM O=C(Nc1ccc(-c2ccccn2)cc1)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000580384892 505746229 /nfs/dbraw/zinc/74/62/29/505746229.db2.gz NXJQFTNIMKCADN-UHFFFAOYSA-N -1 3 358.357 3.276 20 0 FGADHM COc1ccc([O-])c(C(=O)Nc2ccccc2CN2C[C@H](C)O[C@@H](C)C2)c1 ZINC000126923322 494863289 /nfs/dbraw/zinc/86/32/89/494863289.db2.gz VNYTVDWVYQNNLP-GJZGRUSLSA-N -1 3 370.449 3.262 20 0 FGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)[C@H]1C[C@@H]1c1cccc(OC)c1 ZINC000093315607 494867417 /nfs/dbraw/zinc/86/74/17/494867417.db2.gz KXYUPLLUUYKMBG-KGLIPLIRSA-N -1 3 358.394 3.165 20 0 FGADHM Cc1cc(Cl)cc(NC(=O)c2ccc(=O)n(Cc3ccccc3)n2)c1[O-] ZINC000116980686 494879767 /nfs/dbraw/zinc/87/97/67/494879767.db2.gz FTESSOFSIJHZEM-UHFFFAOYSA-N -1 3 369.808 3.211 20 0 FGADHM CN(C)[C@@H](CNC(=O)c1cc(Br)ccc1[O-])c1cccs1 ZINC000027676395 494881015 /nfs/dbraw/zinc/88/10/15/494881015.db2.gz UUGMPSOMDGDIMH-LBPRGKRZSA-N -1 3 369.284 3.249 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)Cc3cnc4ccccc4c3)[n-]c21 ZINC000132545735 494890780 /nfs/dbraw/zinc/89/07/80/494890780.db2.gz IZYFWSDXBYSJDQ-UHFFFAOYSA-N -1 3 360.373 3.079 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)Cc3cnc4ccccc4c3)nc21 ZINC000132545735 494890785 /nfs/dbraw/zinc/89/07/85/494890785.db2.gz IZYFWSDXBYSJDQ-UHFFFAOYSA-N -1 3 360.373 3.079 20 0 FGADHM Cc1ccccc1C[C@H](C)NC(=O)CSc1n[n-]c(-c2ccccn2)n1 ZINC000117114426 494891926 /nfs/dbraw/zinc/89/19/26/494891926.db2.gz VDJWDSXOJJYROA-AWEZNQCLSA-N -1 3 367.478 3.015 20 0 FGADHM O=C(CSc1n[n-]c(-c2ccccn2)n1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000117113630 494892089 /nfs/dbraw/zinc/89/20/89/494892089.db2.gz KCTXMQWLTWGNMX-ZFWWWQNUSA-N -1 3 357.483 3.140 20 0 FGADHM C[C@H](Oc1cccc(CO)c1)C(=O)Nc1cc(Br)ccc1[O-] ZINC000132588846 494896451 /nfs/dbraw/zinc/89/64/51/494896451.db2.gz SLHOEAVXVONCPY-JTQLQIEISA-N -1 3 366.211 3.053 20 0 FGADHM COc1ccc(SCC(=O)Nc2n[n-]c(-c3ccccc3F)n2)cc1 ZINC000109624848 494898088 /nfs/dbraw/zinc/89/80/88/494898088.db2.gz FIWDTRFVLTWJCL-UHFFFAOYSA-N -1 3 358.398 3.350 20 0 FGADHM COc1cccc(C(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)c1[O-] ZINC000117205373 494900126 /nfs/dbraw/zinc/90/01/26/494900126.db2.gz ZNKBCEXMPDADKW-UHFFFAOYSA-N -1 3 357.250 3.358 20 0 FGADHM COc1ccc2cccc(CC(=O)Nc3nnc(-c4ccccn4)[n-]3)c2c1 ZINC000132615917 494900379 /nfs/dbraw/zinc/90/03/79/494900379.db2.gz HEJCUBOAMOYOSH-UHFFFAOYSA-N -1 3 359.389 3.210 20 0 FGADHM COc1ccc2cccc(CC(=O)Nc3nc(-c4ccccn4)n[n-]3)c2c1 ZINC000132615917 494900382 /nfs/dbraw/zinc/90/03/82/494900382.db2.gz HEJCUBOAMOYOSH-UHFFFAOYSA-N -1 3 359.389 3.210 20 0 FGADHM COc1ccc2cccc(CC(=O)Nc3n[n-]c(-c4ccccn4)n3)c2c1 ZINC000132615917 494900384 /nfs/dbraw/zinc/90/03/84/494900384.db2.gz HEJCUBOAMOYOSH-UHFFFAOYSA-N -1 3 359.389 3.210 20 0 FGADHM O=S(=O)([N-]CC1CC1)c1csc(-c2ccc(Br)cc2)n1 ZINC000109694030 494908336 /nfs/dbraw/zinc/90/83/36/494908336.db2.gz KIKGGIJFACWBMN-UHFFFAOYSA-N -1 3 373.297 3.261 20 0 FGADHM CSCc1cccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])c1 ZINC000109700648 494909778 /nfs/dbraw/zinc/90/97/78/494909778.db2.gz KZFWDKRYEIZZFS-KRWDZBQOSA-N -1 3 370.474 3.499 20 0 FGADHM CN(Cc1nc(=O)c2c([n-]1)sc1c2CCCS1)C(=O)c1ccccc1 ZINC000117428329 494918622 /nfs/dbraw/zinc/91/86/22/494918622.db2.gz HXNPGACZGHBGBL-UHFFFAOYSA-N -1 3 371.487 3.295 20 0 FGADHM CCc1cc2c(CN3CCC(n4ccnc4)CC3)cc(=O)oc2cc1[O-] ZINC000109794445 494919351 /nfs/dbraw/zinc/91/93/51/494919351.db2.gz AKUCGBNXVOKYMV-UHFFFAOYSA-N -1 3 353.422 3.095 20 0 FGADHM CC(C)c1csc(C[N-]S(=O)(=O)c2c[nH]c3nccc(Cl)c23)n1 ZINC000093925680 494935908 /nfs/dbraw/zinc/93/59/08/494935908.db2.gz FMPNCXWNBFRAPP-UHFFFAOYSA-N -1 3 370.887 3.275 20 0 FGADHM CC(C)(C)OC(=O)c1cccc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)c1 ZINC000094036967 494942169 /nfs/dbraw/zinc/94/21/69/494942169.db2.gz BLGGMUVVZYYGOP-UHFFFAOYSA-N -1 3 356.304 3.031 20 0 FGADHM CC(C)(C)OC(=O)c1cccc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)c1 ZINC000094036967 494942173 /nfs/dbraw/zinc/94/21/73/494942173.db2.gz BLGGMUVVZYYGOP-UHFFFAOYSA-N -1 3 356.304 3.031 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)c1ccc(I)cc1 ZINC000132938075 494945981 /nfs/dbraw/zinc/94/59/81/494945981.db2.gz YNDATULCOALLBP-UHFFFAOYSA-N -1 3 371.149 3.066 20 0 FGADHM O=C(c1ccc(Br)cc1[O-])N1CCC[C@@H]1CN1CCCCC1 ZINC000094101289 494948970 /nfs/dbraw/zinc/94/89/70/494948970.db2.gz PFTJOGOZAGTEGL-CQSZACIVSA-N -1 3 367.287 3.245 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](c2nccs2)c2ccccc2)c1 ZINC000122282048 494951623 /nfs/dbraw/zinc/95/16/23/494951623.db2.gz AMXQDXYKKKDWKF-QGZVFWFLSA-N -1 3 367.430 3.327 20 0 FGADHM CCc1cccc(C(=O)N(CC(=O)OC)Cc2ccc(F)c(F)c2)c1[O-] ZINC000094125164 494952417 /nfs/dbraw/zinc/95/24/17/494952417.db2.gz BIQULGQXXVAFHL-UHFFFAOYSA-N -1 3 363.360 3.048 20 0 FGADHM CCc1cccc(C(=O)N[C@H](c2noc(C)n2)c2ccccc2OC)c1[O-] ZINC000094149317 494953827 /nfs/dbraw/zinc/95/38/27/494953827.db2.gz BVFFYJUHFWVJKP-KRWDZBQOSA-N -1 3 367.405 3.174 20 0 FGADHM Cc1noc(C)c1[C@H](C)CC(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000133067484 494963935 /nfs/dbraw/zinc/96/39/35/494963935.db2.gz ZMGOAKUPEQWXDI-LLVKDONJSA-N -1 3 366.421 3.482 20 0 FGADHM Cc1c(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)cccc1-c1ccccn1 ZINC000122372229 494965159 /nfs/dbraw/zinc/96/51/59/494965159.db2.gz WVOSBUBPBJQUSD-UHFFFAOYSA-N -1 3 370.416 3.167 20 0 FGADHM Cc1c(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)cccc1-c1ccccn1 ZINC000122372229 494965161 /nfs/dbraw/zinc/96/51/61/494965161.db2.gz WVOSBUBPBJQUSD-UHFFFAOYSA-N -1 3 370.416 3.167 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N(C)[C@@H]2CCCc3nc(C)sc32)c1 ZINC000122437204 494975142 /nfs/dbraw/zinc/97/51/42/494975142.db2.gz KHADAGMKIRNBEF-OAHLLOKOSA-N -1 3 359.451 3.265 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-][C@@H](Cc1ccc(F)cc1)C(C)C ZINC000122460754 494979365 /nfs/dbraw/zinc/97/93/65/494979365.db2.gz LPMJSEJNISBXAW-AWEZNQCLSA-N -1 3 357.472 3.441 20 0 FGADHM C[C@@H](C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)N(C)C1CC1 ZINC000110727713 495004152 /nfs/dbraw/zinc/00/41/52/495004152.db2.gz PJADDLTVWCLJME-QMMMGPOBSA-N -1 3 371.717 3.408 20 0 FGADHM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]C[C@H](C)N(C)C2CC2)c1Cl ZINC000110729832 495004912 /nfs/dbraw/zinc/00/49/12/495004912.db2.gz WZPQMTDQDXCPCE-JTQLQIEISA-N -1 3 365.326 3.371 20 0 FGADHM Cc1noc(C)c1[C@@H](C)[N-]S(=O)(=O)c1sccc1Br ZINC000096554740 495011784 /nfs/dbraw/zinc/01/17/84/495011784.db2.gz DMBDMXRRAIWOOD-SSDOTTSWSA-N -1 3 365.274 3.155 20 0 FGADHM CCC[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)Nc1ccccc1[O-] ZINC000122679492 495014866 /nfs/dbraw/zinc/01/48/66/495014866.db2.gz HTBYAXMKESIEMK-MRXNPFEDSA-N -1 3 359.401 3.138 20 0 FGADHM O=S(=O)([N-][C@H]1C[C@H](c2ccccc2F)C1)c1cnccc1C(F)(F)F ZINC000577579032 505757208 /nfs/dbraw/zinc/75/72/08/505757208.db2.gz YIYOMRCKCQYNHD-XYPYZODXSA-N -1 3 374.359 3.464 20 0 FGADHM CC[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1)OC ZINC000574369019 505756244 /nfs/dbraw/zinc/75/62/44/505756244.db2.gz YZORFEPOQKBODV-CQSZACIVSA-N -1 3 361.891 3.222 20 0 FGADHM Cc1cc(C(=O)NCCCNC(=O)c2cccc([O-])c2)c(Cl)cc1F ZINC000133529808 495025081 /nfs/dbraw/zinc/02/50/81/495025081.db2.gz ZKZFYNGTTOBDDA-UHFFFAOYSA-N -1 3 364.804 3.043 20 0 FGADHM CCCN(CCC)C(=O)Cc1csc(NC(=O)c2cccc([O-])c2)n1 ZINC000118765120 495033108 /nfs/dbraw/zinc/03/31/08/495033108.db2.gz RWKCFKMNDCYTBV-UHFFFAOYSA-N -1 3 361.467 3.292 20 0 FGADHM COCCCCS(=O)(=O)[N-]c1cnn(-c2ccc(C)cc2)c1C(C)C ZINC000577580347 505757956 /nfs/dbraw/zinc/75/79/56/505757956.db2.gz SWNJTUMOTXKZBX-UHFFFAOYSA-N -1 3 365.499 3.472 20 0 FGADHM CC[C@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3C)cc1 ZINC000098052394 495051454 /nfs/dbraw/zinc/05/14/54/495051454.db2.gz XCVIKFDHYMOWSQ-ZDUSSCGKSA-N -1 3 374.462 3.184 20 0 FGADHM C[C@@H](O)C1CCN(Cc2nc(=O)c3cc(-c4ccccc4)sc3[n-]2)CC1 ZINC000111285577 495057986 /nfs/dbraw/zinc/05/79/86/495057986.db2.gz YHVHUEZEUVGNNC-CYBMUJFWSA-N -1 3 369.490 3.244 20 0 FGADHM CCN(C(=O)c1cc(NC(C)=O)ccc1[O-])[C@@H](COC)Cc1ccccc1 ZINC000123006520 495066049 /nfs/dbraw/zinc/06/60/49/495066049.db2.gz LWUMCKVQLFBJTJ-GOSISDBHSA-N -1 3 370.449 3.070 20 0 FGADHM Cc1cccc(CS(=O)(=O)[N-][C@@H](C)c2noc(-c3ccccc3)n2)c1 ZINC000128249913 495067248 /nfs/dbraw/zinc/06/72/48/495067248.db2.gz YPQKGWJHKZLJAM-AWEZNQCLSA-N -1 3 357.435 3.226 20 0 FGADHM O=C(Nc1cccc([O-])c1F)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000128257125 495068487 /nfs/dbraw/zinc/06/84/87/495068487.db2.gz NPKHMOOGCDRTSB-ZDUSSCGKSA-N -1 3 357.385 3.414 20 0 FGADHM COc1cccc([C@@H]2C[C@@H](C)CN2C(=O)c2c[n-]c3ccncc3c2=O)c1 ZINC000574380116 505759674 /nfs/dbraw/zinc/75/96/74/505759674.db2.gz NCTBTAYROVTMGC-YJYMSZOUSA-N -1 3 363.417 3.155 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)NCCOc2ccccc2C(C)C)c1 ZINC000111656727 495091557 /nfs/dbraw/zinc/09/15/57/495091557.db2.gz YAQIDMKHXRVEOO-UHFFFAOYSA-N -1 3 356.422 3.283 20 0 FGADHM Cc1nc(C)c(CC(=O)NC[C@@H](C)c2c(Cl)cccc2Cl)c(=O)[n-]1 ZINC000101899879 495105953 /nfs/dbraw/zinc/10/59/53/495105953.db2.gz DMKCMBDDNGDVJX-SECBINFHSA-N -1 3 368.264 3.156 20 0 FGADHM Cc1ccc(-c2nc(C(=O)[N-]c3nc4ccc(Cl)cn4n3)cs2)n1C ZINC000128586943 495120535 /nfs/dbraw/zinc/12/05/35/495120535.db2.gz PZUYQLWUAVDFOD-UHFFFAOYSA-N -1 3 372.841 3.405 20 0 FGADHM O=C1[N-][C@@](c2ccccc2)(C(F)(F)F)C(=O)N1Cc1cccc(F)c1F ZINC000102147340 495122472 /nfs/dbraw/zinc/12/24/72/495122472.db2.gz KYQOYZULGUBWSW-MRXNPFEDSA-N -1 3 370.277 3.474 20 0 FGADHM COc1ccc(Br)cc1CC(=O)Nc1cccc([O-])c1F ZINC000128679062 495134041 /nfs/dbraw/zinc/13/40/41/495134041.db2.gz VCENCYMIEKSPPZ-UHFFFAOYSA-N -1 3 354.175 3.484 20 0 FGADHM CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)c1cnc2c(cnn2C)c1[O-] ZINC000119292382 495135366 /nfs/dbraw/zinc/13/53/66/495135366.db2.gz YUVYSPMEIRGUPU-HNNXBMFYSA-N -1 3 352.438 3.076 20 0 FGADHM C[C@@H]1CC[C@H](C)N1C(=O)Cc1csc(NC(=O)c2cccc([O-])c2)n1 ZINC000119297405 495136924 /nfs/dbraw/zinc/13/69/24/495136924.db2.gz ILCKPCXKDAAHQK-TXEJJXNPSA-N -1 3 359.451 3.043 20 0 FGADHM CC(C)c1c(C(=O)[N-]N2CCCCC2=O)cnn1-c1ccc(Cl)cc1 ZINC000102641814 495149503 /nfs/dbraw/zinc/14/95/03/495149503.db2.gz GCPXOOZDFNDKBR-UHFFFAOYSA-N -1 3 360.845 3.306 20 0 FGADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(NC(C)=O)c2)c(C)c1 ZINC000134453532 495151481 /nfs/dbraw/zinc/15/14/81/495151481.db2.gz CLUFINNXNZXYNE-UHFFFAOYSA-N -1 3 362.451 3.461 20 0 FGADHM Cc1cc(F)ccc1CN1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000123627283 495162532 /nfs/dbraw/zinc/16/25/32/495162532.db2.gz RKCHZKCXWOXBHR-UHFFFAOYSA-N -1 3 368.499 3.139 20 0 FGADHM Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1cc(-c2nccn2C)[n-]n1 ZINC000119427068 495164959 /nfs/dbraw/zinc/16/49/59/495164959.db2.gz CVDVUBUUWRIMQK-LLVKDONJSA-N -1 3 359.817 3.178 20 0 FGADHM Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1cc(-c2nccn2C)n[n-]1 ZINC000119427068 495164963 /nfs/dbraw/zinc/16/49/63/495164963.db2.gz CVDVUBUUWRIMQK-LLVKDONJSA-N -1 3 359.817 3.178 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H](C)C[C@H](O)c3cccs3)nc2)n1 ZINC000128940831 495171522 /nfs/dbraw/zinc/17/15/22/495171522.db2.gz UXBLZZRTKYQMCS-WFASDCNBSA-N -1 3 370.478 3.380 20 0 FGADHM Cc1nc(C)c(CCC(=O)N[C@H]2CCCC[C@H]2Cc2ccccc2)c(=O)[n-]1 ZINC000102911647 495172158 /nfs/dbraw/zinc/17/21/58/495172158.db2.gz GJHRLCOQJJDYBB-ICSRJNTNSA-N -1 3 367.493 3.237 20 0 FGADHM CCCN(CC)c1ccc(C(=O)Nc2cc(-c3nccn3C)[n-]n2)cc1 ZINC000119467798 495172853 /nfs/dbraw/zinc/17/28/53/495172853.db2.gz OVVVDRSTESTQAU-UHFFFAOYSA-N -1 3 352.442 3.299 20 0 FGADHM CCCN(CC)c1ccc(C(=O)Nc2cc(-c3nccn3C)n[n-]2)cc1 ZINC000119467798 495172858 /nfs/dbraw/zinc/17/28/58/495172858.db2.gz OVVVDRSTESTQAU-UHFFFAOYSA-N -1 3 352.442 3.299 20 0 FGADHM CCC[C@@H](NC(=O)Cc1ccc([O-])cc1Cl)c1nnc2ccccn21 ZINC000128989785 495178771 /nfs/dbraw/zinc/17/87/71/495178771.db2.gz NHGCKIBCQSXMRD-OAHLLOKOSA-N -1 3 358.829 3.288 20 0 FGADHM Cc1conc1[N-]C(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000123777790 495184349 /nfs/dbraw/zinc/18/43/49/495184349.db2.gz XQOQBPCLAYMDTF-UHFFFAOYSA-N -1 3 365.162 3.323 20 0 FGADHM CC(=O)N1CCCc2cc(S(=O)(=O)[N-]c3ccc(F)c(C)c3)ccc21 ZINC000103060707 495188072 /nfs/dbraw/zinc/18/80/72/495188072.db2.gz LDNUIDDVIDVCLV-UHFFFAOYSA-N -1 3 362.426 3.234 20 0 FGADHM Cn1ccnc1-c1cc(NC(=O)CCCc2nc3ccccc3s2)n[n-]1 ZINC000119587273 495196782 /nfs/dbraw/zinc/19/67/82/495196782.db2.gz LWBIRXRVNZSWRK-UHFFFAOYSA-N -1 3 366.450 3.381 20 0 FGADHM Cn1ccnc1-c1cc(NC(=O)CCCc2nc3ccccc3s2)[n-]n1 ZINC000119587273 495196786 /nfs/dbraw/zinc/19/67/86/495196786.db2.gz LWBIRXRVNZSWRK-UHFFFAOYSA-N -1 3 366.450 3.381 20 0 FGADHM Cn1ccnc1-c1cc(NC(=O)Cc2csc(-c3ccccc3)n2)n[n-]1 ZINC000119692246 495219928 /nfs/dbraw/zinc/21/99/28/495219928.db2.gz PDKDJYDFCMGFEP-UHFFFAOYSA-N -1 3 364.434 3.115 20 0 FGADHM Cn1ccnc1-c1cc(NC(=O)Cc2csc(-c3ccccc3)n2)[n-]n1 ZINC000119692246 495219932 /nfs/dbraw/zinc/21/99/32/495219932.db2.gz PDKDJYDFCMGFEP-UHFFFAOYSA-N -1 3 364.434 3.115 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)OC(C)(C)C ZINC000129310281 495226865 /nfs/dbraw/zinc/22/68/65/495226865.db2.gz UDSRIRHNYLSQFN-QMMMGPOBSA-N -1 3 354.255 3.002 20 0 FGADHM Cc1c(C(=O)Nc2cccc([O-])c2F)nnn1-c1ccc(OC(C)C)cc1 ZINC000129350073 495232126 /nfs/dbraw/zinc/23/21/26/495232126.db2.gz NPITURRSRZTMBG-UHFFFAOYSA-N -1 3 370.384 3.460 20 0 FGADHM O=S(=O)(Cc1ccc(Cl)cc1Cl)[N-][C@H]1c2ccccc2C[C@H]1O ZINC000129360252 495233948 /nfs/dbraw/zinc/23/39/48/495233948.db2.gz DNJLQCSERCKBOM-CVEARBPZSA-N -1 3 372.273 3.071 20 0 FGADHM CCCn1c(=O)[n-]nc1SCc1nc(-c2cc(F)c(F)c(F)c2)no1 ZINC000129449143 495246279 /nfs/dbraw/zinc/24/62/79/495246279.db2.gz GGGPRCNVHSTXHO-UHFFFAOYSA-N -1 3 371.344 3.153 20 0 FGADHM Cc1sc2[nH]c(CCC(=O)Nc3cccc([O-])c3F)nc(=O)c2c1C ZINC000129530550 495258313 /nfs/dbraw/zinc/25/83/13/495258313.db2.gz FZWZRLGWWACLET-UHFFFAOYSA-N -1 3 361.398 3.017 20 0 FGADHM COC[C@H]1CCCN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)C1 ZINC000112987475 495263539 /nfs/dbraw/zinc/26/35/39/495263539.db2.gz MTIAPYFMMLUZKC-LBPRGKRZSA-N -1 3 359.451 3.103 20 0 FGADHM CSc1ccc(N2C[C@H](C(=O)Nc3ccc([O-])cc3F)CC2=O)cc1 ZINC000124320441 495268987 /nfs/dbraw/zinc/26/89/87/495268987.db2.gz NABSFUOBOZJXQT-LLVKDONJSA-N -1 3 360.410 3.245 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)s1)c1cn(-c2ccccc2)nn1 ZINC000129643866 495274559 /nfs/dbraw/zinc/27/45/59/495274559.db2.gz WIPMLHVZESPMKQ-JTQLQIEISA-N -1 3 368.871 3.022 20 0 FGADHM O=C(CCc1cccc(Br)c1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000104365408 495280572 /nfs/dbraw/zinc/28/05/72/495280572.db2.gz IYQAIASXLQJFIX-UHFFFAOYSA-N -1 3 372.226 3.201 20 0 FGADHM O=C(CCc1cccc(Br)c1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000104365408 495280576 /nfs/dbraw/zinc/28/05/76/495280576.db2.gz IYQAIASXLQJFIX-UHFFFAOYSA-N -1 3 372.226 3.201 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1ccc(Br)c(F)c1 ZINC000104367414 495280599 /nfs/dbraw/zinc/28/05/99/495280599.db2.gz GJOGCBBAEAUQNE-UHFFFAOYSA-N -1 3 362.162 3.021 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1ccc(Br)c(F)c1 ZINC000104367414 495280601 /nfs/dbraw/zinc/28/06/01/495280601.db2.gz GJOGCBBAEAUQNE-UHFFFAOYSA-N -1 3 362.162 3.021 20 0 FGADHM Cc1nc(C)c(CC(=O)N[C@@H]2CCc3c2ccc(Cl)c3Cl)c(=O)[n-]1 ZINC000113200239 495282436 /nfs/dbraw/zinc/28/24/36/495282436.db2.gz KXLJVNJMNNSSDH-CQSZACIVSA-N -1 3 366.248 3.040 20 0 FGADHM O=S(=O)([N-]Cc1cc(-c2ccccc2)on1)c1ccc(F)cc1F ZINC000129779909 495294425 /nfs/dbraw/zinc/29/44/25/495294425.db2.gz NRHLQGUBEARHOY-UHFFFAOYSA-N -1 3 350.346 3.098 20 0 FGADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2C)cc1Cl ZINC000104732397 495302004 /nfs/dbraw/zinc/30/20/04/495302004.db2.gz DIJYIVLKFMTMTA-TVQRCGJNSA-N -1 3 362.854 3.295 20 0 FGADHM Cc1ncsc1C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000104745336 495302946 /nfs/dbraw/zinc/30/29/46/495302946.db2.gz CPLXDSFUUITCAX-UHFFFAOYSA-N -1 3 354.350 3.088 20 0 FGADHM Cc1c(C(=O)Nc2ccc([O-])cc2F)nnn1-c1ccc2ncccc2c1 ZINC000124548610 495304954 /nfs/dbraw/zinc/30/49/54/495304954.db2.gz HVSVETADRIVKDD-UHFFFAOYSA-N -1 3 363.352 3.221 20 0 FGADHM CCCCCN(CCO)Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000120112279 495309152 /nfs/dbraw/zinc/30/91/52/495309152.db2.gz XECGEGUHWOHHFP-UHFFFAOYSA-N -1 3 361.467 3.229 20 0 FGADHM Cc1nc2cc(F)ccc2cc1C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000135545458 495309894 /nfs/dbraw/zinc/30/98/94/495309894.db2.gz WLMQCEXPQBJGPU-UHFFFAOYSA-N -1 3 362.368 3.039 20 0 FGADHM Cc1nc2cc(F)ccc2cc1C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000135545458 495309900 /nfs/dbraw/zinc/30/99/00/495309900.db2.gz WLMQCEXPQBJGPU-UHFFFAOYSA-N -1 3 362.368 3.039 20 0 FGADHM CC[C@@H](C)OCC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000124577113 495310683 /nfs/dbraw/zinc/31/06/83/495310683.db2.gz YGBLJJCBIIURAE-GFCCVEGCSA-N -1 3 368.861 3.038 20 0 FGADHM COc1ccc([C@H]2[C@@H](C(=O)Nc3ccc([O-])cc3F)CCC(=O)N2C)cc1 ZINC000124648059 495321557 /nfs/dbraw/zinc/32/15/57/495321557.db2.gz CBZPNUCFXHANBB-KXBFYZLASA-N -1 3 372.396 3.088 20 0 FGADHM Cc1nc(C)c(CCC(=O)Nc2cc(C3CCCCCC3)[nH]n2)c(=O)[n-]1 ZINC000135715034 495327805 /nfs/dbraw/zinc/32/78/05/495327805.db2.gz YSRAKPKVVOILBQ-UHFFFAOYSA-N -1 3 357.458 3.119 20 0 FGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]c1cccc(C)c1Cl ZINC000130137904 495347123 /nfs/dbraw/zinc/34/71/23/495347123.db2.gz BLFCKMVZKCRHAO-UHFFFAOYSA-N -1 3 357.790 3.375 20 0 FGADHM O=C(Nc1ccn(CC(F)F)n1)c1c[n-]nc1-c1cccc(Cl)c1 ZINC000130196760 495355241 /nfs/dbraw/zinc/35/52/41/495355241.db2.gz PZGCIZROXJFKFN-UHFFFAOYSA-N -1 3 351.744 3.444 20 0 FGADHM O=C(Nc1ccn(CC(F)F)n1)c1cn[n-]c1-c1cccc(Cl)c1 ZINC000130196760 495355243 /nfs/dbraw/zinc/35/52/43/495355243.db2.gz PZGCIZROXJFKFN-UHFFFAOYSA-N -1 3 351.744 3.444 20 0 FGADHM CSCCCCCCNC(=O)N(C)Cc1nc2ccsc2c(=O)[n-]1 ZINC000130205192 495355811 /nfs/dbraw/zinc/35/58/11/495355811.db2.gz SRMCIKGBIIZFJZ-UHFFFAOYSA-N -1 3 368.528 3.049 20 0 FGADHM CCOC(=O)c1nnsc1[N-]C(=O)c1csc(-c2cccs2)n1 ZINC000120357040 495359545 /nfs/dbraw/zinc/35/95/45/495359545.db2.gz PSABRSXJVMJNPK-UHFFFAOYSA-N -1 3 366.449 3.152 20 0 FGADHM O=S(=O)([N-]c1cc(F)c(F)cc1F)c1ccc2c(c1)OCCCO2 ZINC000105389962 495361258 /nfs/dbraw/zinc/36/12/58/495361258.db2.gz WOOZDWFGQDLLTC-UHFFFAOYSA-N -1 3 359.325 3.066 20 0 FGADHM O=C(Cc1ccc([O-])cc1Cl)Nc1ccc(CCN2CCOCC2)cc1 ZINC000136197085 495363426 /nfs/dbraw/zinc/36/34/26/495363426.db2.gz ABZHKFALAUTGPL-UHFFFAOYSA-N -1 3 374.868 3.102 20 0 FGADHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(CN3CCOCC3)cc2)c(C)c1 ZINC000120382930 495365622 /nfs/dbraw/zinc/36/56/22/495365622.db2.gz DLSKMEQBWIZLOW-UHFFFAOYSA-N -1 3 374.506 3.245 20 0 FGADHM CCCCn1c(=O)[n-]nc1S(=O)(=O)Cc1ccc(C(C)(C)C)cc1 ZINC000105525337 495367959 /nfs/dbraw/zinc/36/79/59/495367959.db2.gz 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C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N=c1cc2ccccn2[n-]1 ZINC000568911173 505806015 /nfs/dbraw/zinc/80/60/15/505806015.db2.gz BHGSJDZAHRAJCH-JTQLQIEISA-N -1 3 350.205 3.469 20 0 FGADHM COc1ccc(-n2nc(C(=O)[N-]c3nnc(C(F)F)s3)cc2C)cc1 ZINC000180014619 495824025 /nfs/dbraw/zinc/82/40/25/495824025.db2.gz PWTIDJYCVJPOMN-UHFFFAOYSA-N -1 3 365.365 3.231 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-][C@H](C)c1cccc(OC(F)F)c1 ZINC000155072364 495824591 /nfs/dbraw/zinc/82/45/91/495824591.db2.gz LPEPNBDYBNQINZ-SECBINFHSA-N -1 3 363.407 3.398 20 0 FGADHM COC(=O)[C@@H](NC(=O)Cc1ccc([O-])cc1Cl)c1ccc(F)c(C)c1 ZINC000186030096 495828782 /nfs/dbraw/zinc/82/87/82/495828782.db2.gz ZRLXZLHOSBETNR-KRWDZBQOSA-N -1 3 365.788 3.066 20 0 FGADHM Cc1cccc2c(=O)c(C(=O)N3CCC[C@H](CC(=O)OC(C)C)C3)c[n-]c12 ZINC000186054625 495838514 /nfs/dbraw/zinc/83/85/14/495838514.db2.gz PFTSBJFKAADJNK-OAHLLOKOSA-N -1 3 370.449 3.443 20 0 FGADHM Cc1nc(C)c(S(=O)(=O)[N-][C@@H](C)c2nc(C3CCCCC3)no2)s1 ZINC000176957804 495856673 /nfs/dbraw/zinc/85/66/73/495856673.db2.gz XUXGJMBJSJXRAH-VIFPVBQESA-N -1 3 370.500 3.230 20 0 FGADHM C[C@H](C(=O)NCc1ccc([O-])c(Br)c1)n1cnc2ccccc21 ZINC000151535056 495870346 /nfs/dbraw/zinc/87/03/46/495870346.db2.gz BMTHNXDIUZIRIH-LLVKDONJSA-N -1 3 374.238 3.382 20 0 FGADHM O=C(NCc1ccc([O-])c(Br)c1)C1=Cc2ccccc2OC1 ZINC000151548210 495874731 /nfs/dbraw/zinc/87/47/31/495874731.db2.gz QVLGOSOVRORMTB-UHFFFAOYSA-N -1 3 360.207 3.247 20 0 FGADHM CCOCCCN(Cc1ccccc1Br)C[C@H](C)C(=O)[O-] ZINC000577878295 505810499 /nfs/dbraw/zinc/81/04/99/505810499.db2.gz BSEDGMCRIZZOBI-ZDUSSCGKSA-N -1 3 358.276 3.398 20 0 FGADHM O=C(CSCc1cccnc1)NCc1ccc([O-])c(Br)c1 ZINC000151622825 495897518 /nfs/dbraw/zinc/89/75/18/495897518.db2.gz AOAJENQAVUQZIA-UHFFFAOYSA-N -1 3 367.268 3.099 20 0 FGADHM Cc1ccc([O-])c(CN2CCC[C@H](NC(=O)CCCc3ccccc3)C2)n1 ZINC000568933495 505811209 /nfs/dbraw/zinc/81/12/09/505811209.db2.gz NFLRIRWHYKSTJO-IBGZPJMESA-N -1 3 367.493 3.199 20 0 FGADHM CCOC(=O)c1cc(NC(=O)[C@H]2C[C@@H]2c2c(F)cccc2Cl)n[n-]1 ZINC000183284141 495914208 /nfs/dbraw/zinc/91/42/08/495914208.db2.gz GBGXPSKCRGJNTP-IUCAKERBSA-N -1 3 351.765 3.121 20 0 FGADHM CCOC(=O)c1cc(NC(=O)[C@H]2C[C@@H]2c2c(F)cccc2Cl)[n-]n1 ZINC000183284141 495914211 /nfs/dbraw/zinc/91/42/11/495914211.db2.gz GBGXPSKCRGJNTP-IUCAKERBSA-N -1 3 351.765 3.121 20 0 FGADHM CCOC(=O)c1ccc(NC(=O)c2nn(-c3ccccc3)cc2C)c([O-])c1 ZINC000186263674 495919738 /nfs/dbraw/zinc/91/97/38/495919738.db2.gz BPNXWNUTVAXQSM-UHFFFAOYSA-N -1 3 365.389 3.315 20 0 FGADHM Cc1nc(C)c(S(=O)(=O)[N-]C[C@H](c2ccccc2)C(F)(F)F)s1 ZINC000186273466 495922671 /nfs/dbraw/zinc/92/26/71/495922671.db2.gz YDHCBQFFNPYZGM-GFCCVEGCSA-N -1 3 364.414 3.384 20 0 FGADHM C[C@@H]1CCN(C(=O)CCCc2ccc3[nH]c(=O)[nH]c3c2)c2c([O-])cccc21 ZINC000186282736 495927961 /nfs/dbraw/zinc/92/79/61/495927961.db2.gz BYSXXKHYHBODAL-CYBMUJFWSA-N -1 3 365.433 3.425 20 0 FGADHM C[C@@H]1CCN(C(=O)c2ccc(=O)n(-c3ccccc3)n2)c2c([O-])cccc21 ZINC000186290722 495930258 /nfs/dbraw/zinc/93/02/58/495930258.db2.gz WNPIGWKOQZALFE-CQSZACIVSA-N -1 3 361.401 3.092 20 0 FGADHM O=C(c1cccc([O-])c1)N1CCN([C@@H]2CCCc3ccc(F)cc32)CC1 ZINC000151742744 495933550 /nfs/dbraw/zinc/93/35/50/495933550.db2.gz YOKHHPGFGYICEJ-HXUWFJFHSA-N -1 3 354.425 3.367 20 0 FGADHM O=C(c1ccc(O)cc1[O-])N1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000186316792 495944795 /nfs/dbraw/zinc/94/47/95/495944795.db2.gz BSXWDXSKRNEERM-MRXNPFEDSA-N -1 3 351.761 3.104 20 0 FGADHM Cc1ccc(C(=O)N2CC[C@H](C)c3cccc([O-])c32)cc1S(C)(=O)=O ZINC000186338259 495954733 /nfs/dbraw/zinc/95/47/33/495954733.db2.gz SOJALDAGWMWFDT-LBPRGKRZSA-N -1 3 359.447 3.258 20 0 FGADHM CC(C)n1cnc(S(=O)(=O)[N-][C@H]2CCSc3c(F)cccc32)c1 ZINC000151819554 495959476 /nfs/dbraw/zinc/95/94/76/495959476.db2.gz DDZFINOQEOBTFO-ZDUSSCGKSA-N -1 3 355.460 3.119 20 0 FGADHM CN(CCOCc1ccccc1)C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000155454405 495960803 /nfs/dbraw/zinc/96/08/03/495960803.db2.gz JASJCSADRAMLSG-UHFFFAOYSA-N -1 3 355.434 3.395 20 0 FGADHM Cn1ccnc1CC1CCN(C(=O)c2ccc3c(c2[O-])CCCC3)CC1 ZINC000183391960 495961099 /nfs/dbraw/zinc/96/10/99/495961099.db2.gz SLWORJKDXHHYQK-UHFFFAOYSA-N -1 3 353.466 3.099 20 0 FGADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N(C)[C@@H](C)C3CC3)cs2)c1 ZINC000183395297 495963044 /nfs/dbraw/zinc/96/30/44/495963044.db2.gz WLOFGKVXGDSARC-LBPRGKRZSA-N -1 3 373.478 3.209 20 0 FGADHM Cc1cccc(F)c1S(=O)(=O)[N-]C[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000186415849 495989575 /nfs/dbraw/zinc/98/95/75/495989575.db2.gz SJBMTOWKPVKEPB-AWEZNQCLSA-N -1 3 366.433 3.078 20 0 FGADHM COc1ccc2c(c1)CCC[C@H]2CNC(=O)c1c[n-]nc1-c1ccccn1 ZINC000580696994 505816695 /nfs/dbraw/zinc/81/66/95/505816695.db2.gz UMLALDSCPGWJAI-HNNXBMFYSA-N -1 3 362.433 3.330 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCC2(C3CC3)CCC2)c1 ZINC000183465133 495995642 /nfs/dbraw/zinc/99/56/42/495995642.db2.gz KFPBAQPCUGRMST-UHFFFAOYSA-N -1 3 369.421 3.251 20 0 FGADHM CC(C)C[C@@H]1CCCN(C(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)C1 ZINC000151934199 495997753 /nfs/dbraw/zinc/99/77/53/495997753.db2.gz VOAHAQZTQUBLIQ-ZDUSSCGKSA-N -1 3 356.463 3.096 20 0 FGADHM CCN1CCN(c2ccccc2NC(=O)c2cc(F)c([O-])c(F)c2)CC1 ZINC000186442982 496000029 /nfs/dbraw/zinc/00/00/29/496000029.db2.gz LYADPBKPSLZNQT-UHFFFAOYSA-N -1 3 361.392 3.065 20 0 FGADHM O=C(Cc1csc(-c2cccnc2)n1)N1CCCc2cccc([O-])c21 ZINC000155592040 496005296 /nfs/dbraw/zinc/00/52/96/496005296.db2.gz JYRQBSREDUTRPL-UHFFFAOYSA-N -1 3 351.431 3.433 20 0 FGADHM O=C([O-])c1cnccc1N1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000571804081 505817416 /nfs/dbraw/zinc/81/74/16/505817416.db2.gz GKLNJXMOPZSVID-UHFFFAOYSA-N -1 3 365.355 3.121 20 0 FGADHM Cc1c(CN2CCSCC2)cccc1NC(=O)c1cccc2nn[n-]c21 ZINC000183513529 496016882 /nfs/dbraw/zinc/01/68/82/496016882.db2.gz RXGNIYJTRBZZNR-UHFFFAOYSA-N -1 3 367.478 3.067 20 0 FGADHM Cc1c(CN2CCSCC2)cccc1NC(=O)c1cccc2[n-]nnc21 ZINC000183513529 496016888 /nfs/dbraw/zinc/01/68/88/496016888.db2.gz RXGNIYJTRBZZNR-UHFFFAOYSA-N -1 3 367.478 3.067 20 0 FGADHM CCCCN(C)C(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000183546004 496025647 /nfs/dbraw/zinc/02/56/47/496025647.db2.gz JEDRGZFZZYMUIK-UHFFFAOYSA-N -1 3 361.467 3.210 20 0 FGADHM Cc1cnn(-c2ccc(S(=O)(=O)[N-]c3ccc4c(c3)CCO4)cc2F)c1 ZINC000177346350 496027161 /nfs/dbraw/zinc/02/71/61/496027161.db2.gz UDMBLXPANBROPL-UHFFFAOYSA-N -1 3 373.409 3.056 20 0 FGADHM O=S(=O)(C[C@H]1CCCO1)[N-]c1cccc(OCc2ccc(F)cc2)c1 ZINC000171806728 496043650 /nfs/dbraw/zinc/04/36/50/496043650.db2.gz PZBFQDYYXUUNPV-GOSISDBHSA-N -1 3 365.426 3.325 20 0 FGADHM CCC[C@@H](CC)NC(=O)Cc1csc(NC(=O)c2cccc([O-])c2)n1 ZINC000177402561 496049435 /nfs/dbraw/zinc/04/94/35/496049435.db2.gz LLITVVZDRKIMJW-CYBMUJFWSA-N -1 3 361.467 3.338 20 0 FGADHM O=S(=O)([N-]Cc1nc2ccccc2n1C1CC1)c1ccc(F)cc1F ZINC000183642314 496059091 /nfs/dbraw/zinc/05/90/91/496059091.db2.gz GVKXAOUIQXMRCA-UHFFFAOYSA-N -1 3 363.389 3.128 20 0 FGADHM COc1ccc(-c2nc(Sc3ncnc4c3CCCC4)n[n-]2)c(OC)c1 ZINC000152157805 496063929 /nfs/dbraw/zinc/06/39/29/496063929.db2.gz IHCLABMWQSJEQB-UHFFFAOYSA-N -1 3 369.450 3.309 20 0 FGADHM NC[C@@H]1CCCCN1Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[n-]1 ZINC000574637843 505821385 /nfs/dbraw/zinc/82/13/85/505821385.db2.gz ICAFIJBYFCNKKO-AWEZNQCLSA-N -1 3 372.469 3.104 20 0 FGADHM O=S(=O)([N-][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)c1c(Cl)cccc1Cl ZINC000155817860 496077420 /nfs/dbraw/zinc/07/74/20/496077420.db2.gz JBHZAUQINCZPHB-FZQKWOKYSA-N -1 3 362.278 3.229 20 0 FGADHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N(CCC(C)C)C1CC1 ZINC000174742544 496085866 /nfs/dbraw/zinc/08/58/66/496085866.db2.gz GGVAVBRITYIGLC-UHFFFAOYSA-N -1 3 366.483 3.209 20 0 FGADHM COc1cc(F)c(S(=O)(=O)[N-]c2c(F)cc(F)cc2F)cc1OC ZINC000174755931 496092454 /nfs/dbraw/zinc/09/24/54/496092454.db2.gz RFDVVSDBEMZZEU-UHFFFAOYSA-N -1 3 365.304 3.061 20 0 FGADHM CCOc1cc(C(=O)N[C@H](C)CN2CCC[C@H](C)C2)cc(Cl)c1[O-] ZINC000186686006 496108134 /nfs/dbraw/zinc/10/81/34/496108134.db2.gz FCSNXKXFTBBIKZ-QWHCGFSZSA-N -1 3 354.878 3.295 20 0 FGADHM CCc1cccc(C(=O)N[C@@H](C)c2noc(Cc3ccccc3)n2)c1[O-] ZINC000152301009 496109528 /nfs/dbraw/zinc/10/95/28/496109528.db2.gz PYJFMSQWCCHVOS-ZDUSSCGKSA-N -1 3 351.406 3.419 20 0 FGADHM C[C@@H](C[N-]S(=O)(=O)c1ccccc1C(F)(F)F)c1nccs1 ZINC000186694100 496110534 /nfs/dbraw/zinc/11/05/34/496110534.db2.gz LVSVXBNXGPMOJR-VIFPVBQESA-N -1 3 350.387 3.244 20 0 FGADHM Cc1noc(C)c1CCNC(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000186716138 496119250 /nfs/dbraw/zinc/11/92/50/496119250.db2.gz HYGFVGXNDDTDMS-UHFFFAOYSA-N -1 3 364.401 3.201 20 0 FGADHM O=S(=O)(Cc1ccccc1F)[N-][C@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000180735271 496123212 /nfs/dbraw/zinc/12/32/12/496123212.db2.gz ROSDHRQHVQWAOG-IRXDYDNUSA-N -1 3 371.380 3.054 20 0 FGADHM CCCN(C(=O)C(=O)[N-]c1scc(CC(C)C)c1C(=O)OC)C1CC1 ZINC000174837421 496127451 /nfs/dbraw/zinc/12/74/51/496127451.db2.gz SCACWDJJKCJDBO-UHFFFAOYSA-N -1 3 366.483 3.073 20 0 FGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H](C)c2ncc(C)s2)c1 ZINC000186736367 496128847 /nfs/dbraw/zinc/12/88/47/496128847.db2.gz CGBFRKCEXGZMFC-SECBINFHSA-N -1 3 360.888 3.196 20 0 FGADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H]1CCCOc2cc(Cl)ccc21 ZINC000180786533 496145202 /nfs/dbraw/zinc/14/52/02/496145202.db2.gz IAARKVHBZDEDMH-CYBMUJFWSA-N -1 3 356.831 3.137 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)NCCOC3CCCCCC3)c[n-]c12 ZINC000152427414 496148428 /nfs/dbraw/zinc/14/84/28/496148428.db2.gz WNXRLGBENWFVOO-UHFFFAOYSA-N -1 3 360.429 3.445 20 0 FGADHM C[C@]1(CNC(=O)NCc2ccc([O-])c(Br)c2)CCCS1 ZINC000152480625 496164107 /nfs/dbraw/zinc/16/41/07/496164107.db2.gz BTSAIEGZBFVFED-CQSZACIVSA-N -1 3 359.289 3.240 20 0 FGADHM COc1ccc([C@H](C)NC(=O)c2c([O-])cccc2O)cc1Br ZINC000180838853 496165790 /nfs/dbraw/zinc/16/57/90/496165790.db2.gz HLBFFPIWBVVDCQ-VIFPVBQESA-N -1 3 366.211 3.360 20 0 FGADHM CC[C@H](C(=O)Nc1ccc(F)c([N-]S(C)(=O)=O)c1)c1ccc(F)cc1 ZINC000183982708 496187444 /nfs/dbraw/zinc/18/74/44/496187444.db2.gz CNKIHDDGAGBQHL-AWEZNQCLSA-N -1 3 368.405 3.469 20 0 FGADHM Cc1cc(C)c(NC(=O)CS(=O)(=O)c2cccc([O-])c2)c(Cl)c1 ZINC000183984720 496187779 /nfs/dbraw/zinc/18/77/79/496187779.db2.gz RUYPERRCIWCVQJ-UHFFFAOYSA-N -1 3 353.827 3.075 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N3CCC[C@@H]3c3ccncc3)c[n-]c12 ZINC000161521814 496191504 /nfs/dbraw/zinc/19/15/04/496191504.db2.gz CMLWVJVPLPAMGD-QGZVFWFLSA-N -1 3 351.381 3.348 20 0 FGADHM O=S(=O)(Cc1coc(-c2ccc(F)c(F)c2)n1)c1cccc([O-])c1 ZINC000183996475 496192496 /nfs/dbraw/zinc/19/24/96/496192496.db2.gz WCOXNPQBMCLXEJ-UHFFFAOYSA-N -1 3 351.330 3.299 20 0 FGADHM Cc1c(C[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)cnn1C ZINC000152583360 496194332 /nfs/dbraw/zinc/19/43/32/496194332.db2.gz ZMTMQTGWGSFKTB-UHFFFAOYSA-N -1 3 368.673 3.167 20 0 FGADHM CC1(CC(=O)Nc2cc(N3CCCS3(=O)=O)ccc2[O-])CCCCC1 ZINC000156274449 496203458 /nfs/dbraw/zinc/20/34/58/496203458.db2.gz ZQPIDVAZUWRUES-UHFFFAOYSA-N -1 3 366.483 3.231 20 0 FGADHM C[C@@H](c1ccncc1)N1CCC(NC(=O)c2cc(F)c([O-])c(F)c2)CC1 ZINC000186911330 496207035 /nfs/dbraw/zinc/20/70/35/496207035.db2.gz FEFXNTARMWVYNK-LBPRGKRZSA-N -1 3 361.392 3.021 20 0 FGADHM CCOC(=O)c1cc(NC(=O)C[C@@H](c2ccccc2)C(F)(F)F)n[n-]1 ZINC000180940952 496210488 /nfs/dbraw/zinc/21/04/88/496210488.db2.gz HPLNAYVOJVKXGQ-NSHDSACASA-N -1 3 355.316 3.261 20 0 FGADHM CCOC(=O)c1cc(NC(=O)C[C@@H](c2ccccc2)C(F)(F)F)[n-]n1 ZINC000180940952 496210490 /nfs/dbraw/zinc/21/04/90/496210490.db2.gz HPLNAYVOJVKXGQ-NSHDSACASA-N -1 3 355.316 3.261 20 0 FGADHM CC1(CO)CCN(Cc2nc(=O)c3cc(-c4ccccc4)sc3[n-]2)CC1 ZINC000186952423 496225893 /nfs/dbraw/zinc/22/58/93/496225893.db2.gz GZJDUCGKNTZMAV-UHFFFAOYSA-N -1 3 369.490 3.246 20 0 FGADHM Cc1ccsc1CCCC(=O)Nc1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000161723035 496227479 /nfs/dbraw/zinc/22/74/79/496227479.db2.gz HBANMPVFXHSUGB-LJQANCHMSA-N -1 3 371.462 3.073 20 0 FGADHM CCOC(=O)c1sc2[n-]c([C@H](C)N3CC[C@H](C)[C@@H]3C)nc(=O)c2c1C ZINC000177891153 496241335 /nfs/dbraw/zinc/24/13/35/496241335.db2.gz YBASZPRELUBQQM-DLOVCJGASA-N -1 3 363.483 3.261 20 0 FGADHM C[C@H](Cc1ccccc1F)C(=O)Nc1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000172330860 496256672 /nfs/dbraw/zinc/25/66/72/496256672.db2.gz WTEFLVIIJNSKIK-LLVKDONJSA-N -1 3 368.405 3.154 20 0 FGADHM C[C@H](NC(=O)[C@H](C)N1CC[C@H](C)[C@H](C(=O)[O-])C1)c1cccc2ccccc21 ZINC000574691196 505833045 /nfs/dbraw/zinc/83/30/45/505833045.db2.gz RRLKNEZGAFKFLM-ZKNHNOBHSA-N -1 3 368.477 3.448 20 0 FGADHM CC(=O)N(c1ccc(NC(=O)c2cc(-c3ccco3)[n-]n2)cc1)C1CC1 ZINC000569026767 505833192 /nfs/dbraw/zinc/83/31/92/505833192.db2.gz DXJBLWNHZZFEET-UHFFFAOYSA-N -1 3 350.378 3.437 20 0 FGADHM CC(=O)N(c1ccc(NC(=O)c2cc(-c3ccco3)n[n-]2)cc1)C1CC1 ZINC000569026767 505833197 /nfs/dbraw/zinc/83/31/97/505833197.db2.gz DXJBLWNHZZFEET-UHFFFAOYSA-N -1 3 350.378 3.437 20 0 FGADHM CC(=O)N1CC[C@H](NC(=O)c2cccc(C)c2[O-])c2ccc(F)cc2C1 ZINC000184163660 496266140 /nfs/dbraw/zinc/26/61/40/496266140.db2.gz SFYOVYIWLABHKG-SFHVURJKSA-N -1 3 356.397 3.063 20 0 FGADHM Cc1cnc([C@@H]([N-]S(=O)(=O)Cc2ccc(C)c(F)c2)C2CC2)s1 ZINC000184170032 496268457 /nfs/dbraw/zinc/26/84/57/496268457.db2.gz OZSDLBTZFRLPRB-HNNXBMFYSA-N -1 3 354.472 3.470 20 0 FGADHM CCc1ccc([C@H](CO)[N-]S(=O)(=O)c2ccccc2C(F)(F)F)cc1 ZINC000156530656 496270532 /nfs/dbraw/zinc/27/05/32/496270532.db2.gz BLIIEOWUQGUAIR-HNNXBMFYSA-N -1 3 373.396 3.280 20 0 FGADHM O=c1[nH]c2ccc(-c3noc(CCCc4ccc([O-])c(F)c4)n3)cc2[nH]1 ZINC000577984178 505834036 /nfs/dbraw/zinc/83/40/36/505834036.db2.gz CQKBHILHXMJUKA-UHFFFAOYSA-N -1 3 354.341 3.339 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@@H]2CCCC[C@H]2C)c1-c1ccc2c(c1)OCCO2 ZINC000580770013 505834499 /nfs/dbraw/zinc/83/44/99/505834499.db2.gz LBRBHJHMWJKPNG-IUODEOHRSA-N -1 3 355.438 3.343 20 0 FGADHM O=C([N-]OCc1ccc(F)cc1)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000184231376 496297107 /nfs/dbraw/zinc/29/71/07/496297107.db2.gz ZXKQCDFLYLAOKG-MRXNPFEDSA-N -1 3 371.412 3.318 20 0 FGADHM C[C@H]1CN(c2ccccc2NC([O-])=NOCCC(F)(F)F)C[C@H](C)O1 ZINC000156628327 496297804 /nfs/dbraw/zinc/29/78/04/496297804.db2.gz SROWRBDRIFANIN-RYUDHWBXSA-N -1 3 361.364 3.306 20 0 FGADHM C[C@H]1CN(c2ccccc2NC(=O)[N-]OCCC(F)(F)F)C[C@H](C)O1 ZINC000156628327 496297806 /nfs/dbraw/zinc/29/78/06/496297806.db2.gz SROWRBDRIFANIN-RYUDHWBXSA-N -1 3 361.364 3.306 20 0 FGADHM CCCCOc1ccc(CNC(=O)c2cccc3nn[n-]c32)cc1OC ZINC000187141071 496310267 /nfs/dbraw/zinc/31/02/67/496310267.db2.gz WZUUGATWOUXOCN-UHFFFAOYSA-N -1 3 354.410 3.075 20 0 FGADHM CCCCOc1ccc(CNC(=O)c2cccc3[n-]nnc32)cc1OC ZINC000187141071 496310270 /nfs/dbraw/zinc/31/02/70/496310270.db2.gz WZUUGATWOUXOCN-UHFFFAOYSA-N -1 3 354.410 3.075 20 0 FGADHM CCCCOc1ccc(CNC(=O)c2cccc3n[n-]nc32)cc1OC ZINC000187141071 496310276 /nfs/dbraw/zinc/31/02/76/496310276.db2.gz WZUUGATWOUXOCN-UHFFFAOYSA-N -1 3 354.410 3.075 20 0 FGADHM COc1cc(C(=O)N2CC[C@H](Cc3ccc(F)cc3)C2)cc(OC)c1[O-] ZINC000162198556 496312845 /nfs/dbraw/zinc/31/28/45/496312845.db2.gz SCPSKLSEOWHXDF-CQSZACIVSA-N -1 3 359.397 3.253 20 0 FGADHM Cc1ccc2cc(CN3CCN(C(=O)c4cccc([O-])c4)CC3)ccc2n1 ZINC000187145029 496312909 /nfs/dbraw/zinc/31/29/09/496312909.db2.gz UKQVHSBZOROLKW-UHFFFAOYSA-N -1 3 361.445 3.207 20 0 FGADHM Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000153001000 496321438 /nfs/dbraw/zinc/32/14/38/496321438.db2.gz RZTINOHAOUQDOD-GFCCVEGCSA-N -1 3 362.499 3.037 20 0 FGADHM CCn1c2ccccc2nc1CC[N-]S(=O)(=O)c1cccc(C)c1F ZINC000181247261 496326934 /nfs/dbraw/zinc/32/69/34/496326934.db2.gz RNFDUHPTILHHJD-UHFFFAOYSA-N -1 3 361.442 3.025 20 0 FGADHM COc1ccc(C[C@@H](C)[N-]S(=O)(=O)c2cccc(C)c2F)cc1OC ZINC000181274841 496335174 /nfs/dbraw/zinc/33/51/74/496335174.db2.gz HIOPJUKDQQNXBP-CYBMUJFWSA-N -1 3 367.442 3.061 20 0 FGADHM CN(C)CCN(Cc1ccccc1)C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000184335549 496340546 /nfs/dbraw/zinc/34/05/46/496340546.db2.gz YYBPQQGCOHAPMJ-UHFFFAOYSA-N -1 3 350.821 3.389 20 0 FGADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CC[C@](O)(C(F)(F)F)C1 ZINC000156832029 496343031 /nfs/dbraw/zinc/34/30/31/496343031.db2.gz VMFGRZCGYCZSMQ-GOSISDBHSA-N -1 3 365.351 3.122 20 0 FGADHM CCC(CC)n1ncc(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)c1C ZINC000156838022 496345401 /nfs/dbraw/zinc/34/54/01/496345401.db2.gz RIVJEAOUSOCQQP-UHFFFAOYSA-N -1 3 364.471 3.176 20 0 FGADHM Cc1ccc(C(=O)NCc2ccc(COC3CCOCC3)cc2)c([O-])c1 ZINC000162588490 496378482 /nfs/dbraw/zinc/37/84/82/496378482.db2.gz CBRZOORHUNSZSY-UHFFFAOYSA-N -1 3 355.434 3.326 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3cccc(-c4ncon4)c3)c[n-]c12 ZINC000178234104 496380999 /nfs/dbraw/zinc/38/09/99/496380999.db2.gz YOHFEJYQSZQVAH-UHFFFAOYSA-N -1 3 364.336 3.278 20 0 FGADHM Cc1cccc(C)c1NC(=O)CN(C)C(=O)Cc1ccc([O-])cc1Cl ZINC000178238271 496382130 /nfs/dbraw/zinc/38/21/30/496382130.db2.gz HXUMEFLNKMRKIS-UHFFFAOYSA-N -1 3 360.841 3.302 20 0 FGADHM CC(C)C[C@@H](C)NC(=O)Cc1csc(NC(=O)c2cccc([O-])c2)n1 ZINC000162635901 496386909 /nfs/dbraw/zinc/38/69/09/496386909.db2.gz XTBOHWIAGJICEH-GFCCVEGCSA-N -1 3 361.467 3.194 20 0 FGADHM CCC[C@@H](C)[C@@H](CO)[N-]S(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000578018675 505842615 /nfs/dbraw/zinc/84/26/15/505842615.db2.gz XMADNLLZWNFOCV-NXEZZACHSA-N -1 3 370.298 3.077 20 0 FGADHM CCC[C@H](C)[C@@H](CO)[N-]S(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000578018677 505842803 /nfs/dbraw/zinc/84/28/03/505842803.db2.gz XMADNLLZWNFOCV-VHSXEESVSA-N -1 3 370.298 3.077 20 0 FGADHM COC(=O)c1ccc(C(=O)[N-]c2nc(-c3ccccc3OC)cs2)o1 ZINC000157180570 496422957 /nfs/dbraw/zinc/42/29/57/496422957.db2.gz HERIXSHAHIAUKA-UHFFFAOYSA-N -1 3 358.375 3.451 20 0 FGADHM C[C@@H]1CC([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)C[C@@H](C)O1 ZINC000162919527 496434413 /nfs/dbraw/zinc/43/44/13/496434413.db2.gz UDKXQMJZHYFDPG-RKDXNWHRSA-N -1 3 355.353 3.079 20 0 FGADHM CN(Cc1ccccc1Br)C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000578024138 505844006 /nfs/dbraw/zinc/84/40/06/505844006.db2.gz OMVJOZLDIFNAPO-UHFFFAOYSA-N -1 3 362.227 3.094 20 0 FGADHM COc1cc(C(=O)NCc2nc(C(C)(C)C)cs2)cc(OC)c1[O-] ZINC000162960761 496441982 /nfs/dbraw/zinc/44/19/82/496441982.db2.gz TWNPSMCORSVSHA-UHFFFAOYSA-N -1 3 350.440 3.093 20 0 FGADHM O=C(NCc1nnc2n1CCCC2)c1cc(Oc2ccccc2)ccc1[O-] ZINC000157318619 496453445 /nfs/dbraw/zinc/45/34/45/496453445.db2.gz HTWGDCYMEUPHLG-UHFFFAOYSA-N -1 3 364.405 3.042 20 0 FGADHM COC[C@@H]([N-]S(=O)(=O)c1sc(C)nc1C)c1cccc(Cl)c1 ZINC000571919081 505845500 /nfs/dbraw/zinc/84/55/00/505845500.db2.gz ZOVCCFDWHFAKFC-CYBMUJFWSA-N -1 3 360.888 3.079 20 0 FGADHM Cc1nc(C)c(S(=O)(=O)[N-][C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)s1 ZINC000181590524 496459948 /nfs/dbraw/zinc/45/99/48/496459948.db2.gz FDNRWFQTZVHISR-ZIAGYGMSSA-N -1 3 372.899 3.222 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N3CCOC4(CCCCC4)C3)c[n-]c12 ZINC000178453910 496461981 /nfs/dbraw/zinc/46/19/81/496461981.db2.gz CRUDDAJVQIMGMW-UHFFFAOYSA-N -1 3 358.413 3.151 20 0 FGADHM CS(=O)(=O)[N-]c1cc(NC(=O)Cc2ccc(F)cc2Cl)ccc1F ZINC000178469473 496467101 /nfs/dbraw/zinc/46/71/01/496467101.db2.gz XDPOERWSBWICKQ-UHFFFAOYSA-N -1 3 374.796 3.171 20 0 FGADHM O=C(CNC(=O)c1cc2c(s1)CCCC2)Nc1ccc(Cl)cc1[O-] ZINC000153484669 496471950 /nfs/dbraw/zinc/47/19/50/496471950.db2.gz NVWRXDOFSRSPGL-UHFFFAOYSA-N -1 3 364.854 3.354 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N3CC[C@@H](OCCC(C)C)C3)c[n-]c12 ZINC000157426689 496475123 /nfs/dbraw/zinc/47/51/23/496475123.db2.gz KXWIGLIYIKJVIH-OAHLLOKOSA-N -1 3 360.429 3.253 20 0 FGADHM CNC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cc(C)c(F)c(C)c2)c1 ZINC000172886282 496477033 /nfs/dbraw/zinc/47/70/33/496477033.db2.gz UGSDQJIDFKXPBI-UHFFFAOYSA-N -1 3 370.833 3.256 20 0 FGADHM COc1cc(C(=O)N2CCN(C3CC3)c3ccccc32)cc(OC)c1[O-] ZINC000187546038 496485578 /nfs/dbraw/zinc/48/55/78/496485578.db2.gz LLNAMVNYOUDBRM-UHFFFAOYSA-N -1 3 354.406 3.039 20 0 FGADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@@H](C)c1cccc(C)c1C ZINC000178545969 496495417 /nfs/dbraw/zinc/49/54/17/496495417.db2.gz WDXATXFJYFHGOL-ZDUSSCGKSA-N -1 3 365.426 3.269 20 0 FGADHM CCSc1ccc(Cl)cc1[N-]C(=O)c1cn(CC2(C)COC2)nn1 ZINC000184706196 496500085 /nfs/dbraw/zinc/50/00/85/496500085.db2.gz VWLWZNSLUFRPEC-UHFFFAOYSA-N -1 3 366.874 3.332 20 0 FGADHM CC[C@H](NC(=O)CSc1ncc(C(=O)OC)[n-]1)c1ccc(Cl)cc1 ZINC000187589058 496502139 /nfs/dbraw/zinc/50/21/39/496502139.db2.gz MFNLOOOMUQWPNN-LBPRGKRZSA-N -1 3 367.858 3.209 20 0 FGADHM COc1cccc(C(=O)N2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)c1[O-] ZINC000157577320 496508127 /nfs/dbraw/zinc/50/81/27/496508127.db2.gz CJWBRALSRUQJAC-WBVHZDCISA-N -1 3 359.397 3.268 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)CC1CCCCC1)c1nc(Cc2ccccc2)no1 ZINC000175705983 496508183 /nfs/dbraw/zinc/50/81/83/496508183.db2.gz QMGDMMHXBGEEAH-CQSZACIVSA-N -1 3 363.483 3.221 20 0 FGADHM O=S(=O)([N-][C@H]1CCO[C@H](c2ccccc2)C1)c1ccc(F)cc1F ZINC000163410720 496513248 /nfs/dbraw/zinc/51/32/48/496513248.db2.gz FQVHQFYWUJSCPX-HOCLYGCPSA-N -1 3 353.390 3.163 20 0 FGADHM Cc1nc(C)c(S(=O)(=O)[N-][C@@H]2CCSc3ccc(F)cc32)s1 ZINC000175731040 496519027 /nfs/dbraw/zinc/51/90/27/496519027.db2.gz IDEQPSSRDDOHMK-GFCCVEGCSA-N -1 3 358.485 3.414 20 0 FGADHM COc1ccc(Cl)cc1NC(=O)CCNC(=O)c1cccc(C)c1[O-] ZINC000175734106 496521805 /nfs/dbraw/zinc/52/18/05/496521805.db2.gz VFWAANGSHYIOMF-UHFFFAOYSA-N -1 3 362.813 3.121 20 0 FGADHM CC[C@@H]([N-]S(=O)(=O)c1ccc(OC)c(F)c1C)c1c(C)noc1C ZINC000181738455 496524720 /nfs/dbraw/zinc/52/47/20/496524720.db2.gz YNZNBWZDFVVSLS-GFCCVEGCSA-N -1 3 356.419 3.177 20 0 FGADHM COc1nc2ccc([N-]S(=O)(=O)CCc3cccs3)cc2s1 ZINC000571936322 505849612 /nfs/dbraw/zinc/84/96/12/505849612.db2.gz VGAIEGMJXFMBQD-UHFFFAOYSA-N -1 3 354.478 3.351 20 0 FGADHM CCOC(=O)c1cc(NC(=O)c2cccc(-c3nc(C)cs3)c2)n[n-]1 ZINC000181754601 496530494 /nfs/dbraw/zinc/53/04/94/496530494.db2.gz RVHRGXDAWAHRNN-UHFFFAOYSA-N -1 3 356.407 3.271 20 0 FGADHM CCOC(=O)c1cc(NC(=O)c2cccc(-c3nc(C)cs3)c2)[n-]n1 ZINC000181754601 496530501 /nfs/dbraw/zinc/53/05/01/496530501.db2.gz RVHRGXDAWAHRNN-UHFFFAOYSA-N -1 3 356.407 3.271 20 0 FGADHM O=S(=O)([N-]CCCCOCc1ccccc1)c1cc(F)c(F)c(F)c1 ZINC000173081942 496541894 /nfs/dbraw/zinc/54/18/94/496541894.db2.gz POWAOSNXODEJHP-UHFFFAOYSA-N -1 3 373.396 3.379 20 0 FGADHM C[C@@H](NC(=O)c1cccc2nn[n-]c21)c1ccc(OCC2CC2)c(F)c1 ZINC000163663338 496542921 /nfs/dbraw/zinc/54/29/21/496542921.db2.gz GYZLKZXEBIVYNR-LLVKDONJSA-N -1 3 354.385 3.377 20 0 FGADHM C[C@@H](NC(=O)c1cccc2[n-]nnc21)c1ccc(OCC2CC2)c(F)c1 ZINC000163663338 496542929 /nfs/dbraw/zinc/54/29/29/496542929.db2.gz GYZLKZXEBIVYNR-LLVKDONJSA-N -1 3 354.385 3.377 20 0 FGADHM C[C@@H](NC(=O)c1cccc2n[n-]nc21)c1ccc(OCC2CC2)c(F)c1 ZINC000163663338 496542932 /nfs/dbraw/zinc/54/29/32/496542932.db2.gz GYZLKZXEBIVYNR-LLVKDONJSA-N -1 3 354.385 3.377 20 0 FGADHM O=S(=O)(Cc1c(F)cccc1F)[N-]Cc1coc(-c2ccccc2)n1 ZINC000163657489 496543779 /nfs/dbraw/zinc/54/37/79/496543779.db2.gz WSTNKZBVOOHKLK-UHFFFAOYSA-N -1 3 364.373 3.239 20 0 FGADHM CCOc1cccc2[nH]cc(CC(=O)Nc3nnc(-c4ccco4)[n-]3)c21 ZINC000187735213 496551694 /nfs/dbraw/zinc/55/16/94/496551694.db2.gz CAUFGYBAPKITLX-UHFFFAOYSA-N -1 3 351.366 3.126 20 0 FGADHM CCOc1cccc2[nH]cc(CC(=O)Nc3nc(-c4ccco4)n[n-]3)c21 ZINC000187735213 496551698 /nfs/dbraw/zinc/55/16/98/496551698.db2.gz CAUFGYBAPKITLX-UHFFFAOYSA-N -1 3 351.366 3.126 20 0 FGADHM CCOc1cccc2[nH]cc(CC(=O)Nc3n[n-]c(-c4ccco4)n3)c21 ZINC000187735213 496551703 /nfs/dbraw/zinc/55/17/03/496551703.db2.gz CAUFGYBAPKITLX-UHFFFAOYSA-N -1 3 351.366 3.126 20 0 FGADHM O=C(CNC(=O)c1cc(F)cc(F)c1)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000175818813 496557027 /nfs/dbraw/zinc/55/70/27/496557027.db2.gz KFXUCYDXFNBUTI-UHFFFAOYSA-N -1 3 374.265 3.058 20 0 FGADHM CN(Cc1nc(=O)c2c(-c3ccccc3)csc2[n-]1)C[C@H]1CCOC1 ZINC000178772222 496565057 /nfs/dbraw/zinc/56/50/57/496565057.db2.gz GQSGWEOFZCVWHI-CYBMUJFWSA-N -1 3 355.463 3.120 20 0 FGADHM CC(=O)NC(C)(C)c1noc(-c2cc(OCc3ccccc3)ccc2[O-])n1 ZINC000184868059 496565412 /nfs/dbraw/zinc/56/54/12/496565412.db2.gz NIIWBUOMSQRMNG-UHFFFAOYSA-N -1 3 367.405 3.392 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)c1ccc(-c2csc(C)n2)s1)[C@@H]1CCCO1 ZINC000157847425 496569061 /nfs/dbraw/zinc/56/90/61/496569061.db2.gz XWVXOIHWYCLAPX-AAEUAGOBSA-N -1 3 372.537 3.416 20 0 FGADHM O=C(CNC(=O)Cc1ccccc1)Nc1cc(Cc2ccccc2)ccc1[O-] ZINC000175844653 496569819 /nfs/dbraw/zinc/56/98/19/496569819.db2.gz KIBJRPMHDJOMEI-UHFFFAOYSA-N -1 3 374.440 3.280 20 0 FGADHM Cc1cc(C)n2nc(C(=O)Nc3cc(Cc4ccccc4)ccc3[O-])nc2n1 ZINC000175849029 496572040 /nfs/dbraw/zinc/57/20/40/496572040.db2.gz ARCSQNKCPPAVTM-UHFFFAOYSA-N -1 3 373.416 3.290 20 0 FGADHM CO[C@@H](CNC(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1)C(C)(C)C ZINC000187807786 496579721 /nfs/dbraw/zinc/57/97/21/496579721.db2.gz SHSKQHDLVIJWTB-SFHVURJKSA-N -1 3 355.434 3.414 20 0 FGADHM COCc1cc(C(=O)[N-]c2nc(-c3sc(C)nc3C)cs2)no1 ZINC000173252192 496612222 /nfs/dbraw/zinc/61/22/22/496612222.db2.gz RLIRODAWSIDMNB-UHFFFAOYSA-N -1 3 350.425 3.270 20 0 FGADHM O=S(=O)([N-][C@H]1CCCC[C@H]1CO)c1ccc(Cl)cc1C(F)(F)F ZINC000178919216 496616110 /nfs/dbraw/zinc/61/61/10/496616110.db2.gz QKNMRASJJDPTPN-CABZTGNLSA-N -1 3 371.808 3.188 20 0 FGADHM Cc1cccc(F)c1S(=O)(=O)[N-][C@@H](C)c1cccc(-n2cccn2)c1 ZINC000185005408 496618869 /nfs/dbraw/zinc/61/88/69/496618869.db2.gz GMFVFVYADFHQOE-AWEZNQCLSA-N -1 3 359.426 3.359 20 0 FGADHM COCCCOc1cccc(C(=O)Nc2n[n-]c(-c3ccccc3F)n2)c1 ZINC000175972509 496624883 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C[C@H](NC(=O)[C@H](C)N1CCC(C(=O)[O-])CC1)c1ccc2ccccc2c1 ZINC000262677918 497598353 /nfs/dbraw/zinc/59/83/53/497598353.db2.gz UUWZLMRIBXTDQM-GJZGRUSLSA-N -1 3 354.450 3.202 20 0 FGADHM CCc1ccc(C(=O)N2CSC[C@H]2C(=O)Nc2ccccc2C)c([O-])c1 ZINC000190845693 497620366 /nfs/dbraw/zinc/62/03/66/497620366.db2.gz RDQZYWTXHXRHGG-KRWDZBQOSA-N -1 3 370.474 3.417 20 0 FGADHM CC(=O)c1cccc(NC(=O)[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)c1[O-] ZINC000578346403 505919387 /nfs/dbraw/zinc/91/93/87/505919387.db2.gz DLRLXGBVZZERSX-HNNXBMFYSA-N -1 3 372.808 3.240 20 0 FGADHM CO[C@H](C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1)C1CC1 ZINC000280074088 497640471 /nfs/dbraw/zinc/64/04/71/497640471.db2.gz VJGAZOJWXWCGGB-SFHVURJKSA-N -1 3 374.462 3.159 20 0 FGADHM CCOC(=O)c1ccsc1[N-]C(=O)C(=O)N([C@@H](C)[C@H](C)CC)C1CC1 ZINC000190909195 497642181 /nfs/dbraw/zinc/64/21/81/497642181.db2.gz FPFCPSPIXZZMAV-NEPJUHHUSA-N -1 3 366.483 3.289 20 0 FGADHM Cc1cc(C(=O)N2CCCC[C@@H]2c2nnc(C3CCOCC3)o2)ccc1[O-] ZINC000276783804 497652512 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COc1ccc(-n2c(CN3CC[C@](C)(C(=O)[O-])C3)nc3ccccc32)cc1 ZINC000263037830 497687666 /nfs/dbraw/zinc/68/76/66/497687666.db2.gz DJPDQITXXVILQO-NRFANRHFSA-N -1 3 365.433 3.331 20 0 FGADHM CCC(CC)(CNCc1cn(-c2ccc(F)cc2Cl)nn1)C(=O)[O-] ZINC000263081704 497700563 /nfs/dbraw/zinc/70/05/63/497700563.db2.gz RTXICOXCOBFCTQ-UHFFFAOYSA-N -1 3 354.813 3.040 20 0 FGADHM C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000263093696 497703090 /nfs/dbraw/zinc/70/30/90/497703090.db2.gz JBQGBKKFRCOTDM-JMHGQTNQSA-N -1 3 362.514 3.037 20 0 FGADHM CCOc1cc(C[NH2+]CCC(C)(C)C(=O)[O-])cc(Br)c1[O-] ZINC000263116230 497708417 /nfs/dbraw/zinc/70/84/17/497708417.db2.gz ZQHLVXYWPNELOF-UHFFFAOYSA-N -1 3 360.248 3.144 20 0 FGADHM Oc1[n-]c(N[C@H]2CCN(c3ccc(Cl)cc3Cl)C2)nc2nncc1-2 ZINC000277013293 497716084 /nfs/dbraw/zinc/71/60/84/497716084.db2.gz YEJJRQSPJVORNL-VIFPVBQESA-N -1 3 365.224 3.056 20 0 FGADHM COC(=O)c1ccc(F)c([N-]S(=O)(=O)Cc2ccc(C)cc2F)c1 ZINC000194642883 497727336 /nfs/dbraw/zinc/72/73/36/497727336.db2.gz HRABLKQUBFHNAF-UHFFFAOYSA-N -1 3 355.362 3.002 20 0 FGADHM CC[C@H]1CCC[C@@H]1NC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000268338064 497728975 /nfs/dbraw/zinc/72/89/75/497728975.db2.gz GIRZPGHGXQXLLT-YOEHRIQHSA-N -1 3 354.454 3.180 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2cc(OC)c(OC)cc2F)c(C)c1F ZINC000272815543 497736885 /nfs/dbraw/zinc/73/68/85/497736885.db2.gz IWDIBTNPYAQEJI-UHFFFAOYSA-N -1 3 373.377 3.100 20 0 FGADHM O=C(NCCCCOCCc1ccccc1)c1c[n-]c2ccccc2c1=O ZINC000194690001 497740790 /nfs/dbraw/zinc/74/07/90/497740790.db2.gz FKRRFEOQYZWIDT-UHFFFAOYSA-N -1 3 364.445 3.297 20 0 FGADHM Cc1nc(C)c(CCC(=O)N2CC3(CCCC3)c3c2cccc3F)c(=O)[n-]1 ZINC000194722909 497749205 /nfs/dbraw/zinc/74/92/05/497749205.db2.gz OKPUPENOQBORCH-UHFFFAOYSA-N -1 3 369.440 3.317 20 0 FGADHM C[C@@H]1C[C@@H](C(=O)[O-])CN(CC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000263310674 497755483 /nfs/dbraw/zinc/75/54/83/497755483.db2.gz HYPOVJOWPGBZQP-NVXWUHKLSA-N -1 3 352.434 3.335 20 0 FGADHM CCOC(=O)N1CCc2c(sc3[n-]c(-c4ncccc4C)nc(=O)c23)C1 ZINC000272932362 497764252 /nfs/dbraw/zinc/76/42/52/497764252.db2.gz NAEQGJICGVWWIM-UHFFFAOYSA-N -1 3 370.434 3.282 20 0 FGADHM C[C@H]1C[C@H](C(=O)[O-])CN(CC(=O)N(Cc2ccccc2)c2ccccc2)C1 ZINC000263371019 497769712 /nfs/dbraw/zinc/76/97/12/497769712.db2.gz VIKBPJVUZLXHSN-HKUYNNGSSA-N -1 3 366.461 3.262 20 0 FGADHM C[C@H]1C[C@H](C(=O)[O-])CN(Cc2cccc(C(=O)Nc3ccccc3)c2)C1 ZINC000263380746 497772161 /nfs/dbraw/zinc/77/21/61/497772161.db2.gz XGMGZTIUHXXJMD-YJBOKZPZSA-N -1 3 352.434 3.482 20 0 FGADHM O=C([O-])[C@@H]1CCCCC[C@@H]1NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000263454682 497785033 /nfs/dbraw/zinc/78/50/33/497785033.db2.gz OVJDJVCBQLGFLG-MOPGFXCFSA-N -1 3 358.482 3.048 20 0 FGADHM COc1ccc([C@@H](CNc2cccc(C(=O)[O-])n2)N2CCCCC2)cc1 ZINC000263473655 497787931 /nfs/dbraw/zinc/78/79/31/497787931.db2.gz DYDHWWQOJKPKHW-GOSISDBHSA-N -1 3 355.438 3.428 20 0 FGADHM COc1ccc(C(=O)CCC(=O)Nc2ccc(C)cc2[O-])c(OC)c1OC ZINC000273054111 497791686 /nfs/dbraw/zinc/79/16/86/497791686.db2.gz KWVKSAGETCPDOE-UHFFFAOYSA-N -1 3 373.405 3.328 20 0 FGADHM CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(Cc2cccc(C(=O)[O-])c2)C1 ZINC000263502412 497792385 /nfs/dbraw/zinc/79/23/85/497792385.db2.gz VXXFDWRCZLWABW-HNNXBMFYSA-N -1 3 372.387 3.008 20 0 FGADHM CCOc1cc(CN2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)cc(Cl)c1OC ZINC000263508293 497793671 /nfs/dbraw/zinc/79/36/71/497793671.db2.gz MPUBGZDMZCLDBP-SCLBCKFNSA-N -1 3 353.846 3.434 20 0 FGADHM COCc1nsc([N-]C(=O)c2sc(Cc3ccccc3)nc2C)n1 ZINC000273123176 497801331 /nfs/dbraw/zinc/80/13/31/497801331.db2.gz RRLNWYJJVVXNNX-UHFFFAOYSA-N -1 3 360.464 3.293 20 0 FGADHM CC1(C)[C@H]([N-]S(=O)(=O)c2cccc(Cl)c2Cl)[C@H]2CCO[C@H]21 ZINC000246867034 497817581 /nfs/dbraw/zinc/81/75/81/497817581.db2.gz KWUYTYKZRYEYQK-BZHVJNSISA-N -1 3 350.267 3.085 20 0 FGADHM C[C@H]1C[C@@H](CO)CCN1C(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000291987194 497828060 /nfs/dbraw/zinc/82/80/60/497828060.db2.gz WFWOMGIHBBBJBA-RDJZCZTQSA-N -1 3 355.434 3.204 20 0 FGADHM Cc1nc(C)c(CCC(=O)NCc2ccc(OC3CCCC3)cc2)c(=O)[n-]1 ZINC000299544542 497841807 /nfs/dbraw/zinc/84/18/07/497841807.db2.gz FUSDHDQINUWOSV-UHFFFAOYSA-N -1 3 369.465 3.369 20 0 FGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)CO[C@H]1CCCc2ccccc21 ZINC000280669694 497850308 /nfs/dbraw/zinc/85/03/08/497850308.db2.gz GDDOIDNXNXCZHW-SFHVURJKSA-N -1 3 374.462 3.091 20 0 FGADHM COC(=O)CCCO[N-]C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000288687870 497868645 /nfs/dbraw/zinc/86/86/45/497868645.db2.gz DAABHQJVXLSAQR-UHFFFAOYSA-N -1 3 354.712 3.365 20 0 FGADHM CC(C)C(=O)NC[C@@H]1CCCN(C(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000280745287 497881472 /nfs/dbraw/zinc/88/14/72/497881472.db2.gz BTJJCMFAZPQWAL-HNNXBMFYSA-N -1 3 354.450 3.170 20 0 FGADHM Cc1nc(-c2cnn(C)c2)oc1C(=O)[N-]c1csc(-c2ccncc2)n1 ZINC000364290689 497882900 /nfs/dbraw/zinc/88/29/00/497882900.db2.gz MUYHKTCVQJSSQX-UHFFFAOYSA-N -1 3 366.406 3.154 20 0 FGADHM O=S(=O)([N-][C@@H]1CCC[C@@H]2OCC[C@@H]21)c1ccc(C(F)(F)F)s1 ZINC000329752186 497889186 /nfs/dbraw/zinc/88/91/86/497889186.db2.gz WCCAJLBPGGRDQX-BBBLOLIVSA-N -1 3 355.403 3.003 20 0 FGADHM CC(C)n1ccc(NC(=O)NCc2ccc([O-])c(Br)c2)n1 ZINC000280828198 497913390 /nfs/dbraw/zinc/91/33/90/497913390.db2.gz UTJROMQDOBSJNS-UHFFFAOYSA-N -1 3 353.220 3.254 20 0 FGADHM O=C(NC1CCN(CCc2ccccc2)CC1)c1c(F)ccc([O-])c1F ZINC000280879642 497933819 /nfs/dbraw/zinc/93/38/19/497933819.db2.gz YNQPKWPHRCYDLK-UHFFFAOYSA-N -1 3 360.404 3.107 20 0 FGADHM O=c1[nH]c(CC(F)(F)F)c([O-])n1-c1ccc(Oc2cccnc2)cc1 ZINC000348974964 497933803 /nfs/dbraw/zinc/93/38/03/497933803.db2.gz SECXMBAMAKKZKD-CYBMUJFWSA-N -1 3 351.284 3.251 20 0 FGADHM Cc1noc(C(C)(C)[N-]S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)n1 ZINC000572384992 505955714 /nfs/dbraw/zinc/95/57/14/505955714.db2.gz YKUUGGCJASVQJG-UHFFFAOYSA-N -1 3 364.254 3.040 20 0 FGADHM Cc1nc(C)c(CCC(=O)NCCn2ccc3cc(Cl)ccc32)c(=O)[n-]1 ZINC000288988389 497971329 /nfs/dbraw/zinc/97/13/29/497971329.db2.gz HCGJGHAEUSYNRX-UHFFFAOYSA-N -1 3 372.856 3.156 20 0 FGADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@H](C)NC(=O)C1CCCC1 ZINC000296273081 497980129 /nfs/dbraw/zinc/98/01/29/497980129.db2.gz YOGLOIKARIRKSL-JTQLQIEISA-N -1 3 369.259 3.097 20 0 FGADHM CCOc1cc(-c2noc(CCCCc3cn[nH]n3)n2)cc(Cl)c1[O-] ZINC000289041248 497990485 /nfs/dbraw/zinc/99/04/85/497990485.db2.gz GQZLOCABRMGYTF-UHFFFAOYSA-N -1 3 363.805 3.178 20 0 FGADHM O=C(NCc1ccc([O-])c(Br)c1)NC[C@H]1CCC(F)(F)C1 ZINC000281090189 498016094 /nfs/dbraw/zinc/01/60/94/498016094.db2.gz LWSAOAIGJHRZAE-JTQLQIEISA-N -1 3 363.202 3.389 20 0 FGADHM CS(=O)(=O)[N-]c1cc(C(=O)N2CC[C@@H](CC3CCCC3)C2)ccc1F ZINC000364577431 498033270 /nfs/dbraw/zinc/03/32/70/498033270.db2.gz JBWAQWMBZFLKCY-AWEZNQCLSA-N -1 3 368.474 3.240 20 0 FGADHM CC[C@@H]1CN(c2c(C(=O)[O-])cnc3ccc(C)cc32)C[C@@]2(CCOC2)O1 ZINC000569578892 505969649 /nfs/dbraw/zinc/96/96/49/505969649.db2.gz BHJLIBJQJZQLIV-JLTOFOAXSA-N -1 3 356.422 3.016 20 0 FGADHM O=S(=O)([N-][C@@H]1CCOC2(CCCCC2)C1)c1cc(F)c(F)c(F)c1 ZINC000330173950 498048956 /nfs/dbraw/zinc/04/89/56/498048956.db2.gz HVRSGYQOLQQNHV-LLVKDONJSA-N -1 3 363.401 3.264 20 0 FGADHM Cc1nc([C@@H](C)[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)n[nH]1 ZINC000285339004 498056152 /nfs/dbraw/zinc/05/61/52/498056152.db2.gz KKENVLGDNKHELO-RXMQYKEDSA-N -1 3 369.661 3.113 20 0 FGADHM C[C@H]1C[C@H](C(=O)NC2CCN(C(=O)c3cccc([O-])c3)CC2)C[C@@H](C)C1 ZINC000364696810 498095541 /nfs/dbraw/zinc/09/55/41/498095541.db2.gz CNZWAGUZIPJRLI-QLPKVWCKSA-N -1 3 358.482 3.185 20 0 FGADHM COc1ccc2c(c1)OC[C@@H](NC(=O)c1cc([O-])ccc1C(F)(F)F)C2 ZINC000281306295 498097908 /nfs/dbraw/zinc/09/79/08/498097908.db2.gz UDTZNSLEXZUGHK-NSHDSACASA-N -1 3 367.323 3.153 20 0 FGADHM NC(=O)c1cnc(Sc2n[n-]c(-c3cc(F)cc(F)c3)n2)c(Cl)c1 ZINC000301428002 498105243 /nfs/dbraw/zinc/10/52/43/498105243.db2.gz FBLQYJBPMVILRU-UHFFFAOYSA-N -1 3 367.768 3.048 20 0 FGADHM COc1ccc([O-])c(-c2nc(COc3c(OC)cccc3OC)no2)c1 ZINC000350562954 498116247 /nfs/dbraw/zinc/11/62/47/498116247.db2.gz APSRNQPMFYYVMR-UHFFFAOYSA-N -1 3 358.350 3.047 20 0 FGADHM Cc1nc([C@H](C)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)no1 ZINC000289353707 498116378 /nfs/dbraw/zinc/11/63/78/498116378.db2.gz LOAYVTHJDAOIKY-JTQLQIEISA-N -1 3 364.833 3.149 20 0 FGADHM COc1cc(-c2noc([C@H]3CC(=O)N(c4ccccc4F)C3)n2)ccc1[O-] ZINC000350581107 498119002 /nfs/dbraw/zinc/11/90/02/498119002.db2.gz PPCJRSSJAWXTLN-LBPRGKRZSA-N -1 3 369.352 3.110 20 0 FGADHM CCc1cnc(CN(C)c2ccc(-c3nc(CC)cc(=O)[n-]3)cn2)s1 ZINC000301470622 498123667 /nfs/dbraw/zinc/12/36/67/498123667.db2.gz JCPKZRKSJGZPMZ-UHFFFAOYSA-N -1 3 355.467 3.462 20 0 FGADHM O=S(=O)([N-][C@@H]1CCO[C@@H](C2CC2)C1)c1ccc(Cl)cc1Cl ZINC000281387393 498131406 /nfs/dbraw/zinc/13/14/06/498131406.db2.gz GZBGCFKWQCYQQZ-DGCLKSJQSA-N -1 3 350.267 3.229 20 0 FGADHM Cc1c([O-])ccc2c(CN3CCC[C@@](O)(C(F)(F)F)CC3)cc(=O)oc12 ZINC000285624292 498150974 /nfs/dbraw/zinc/15/09/74/498150974.db2.gz QVDSPGPXWJPQFN-KRWDZBQOSA-N -1 3 371.355 3.086 20 0 FGADHM C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000281438643 498151197 /nfs/dbraw/zinc/15/11/97/498151197.db2.gz BSHIBBQPBZYJRK-VIFPVBQESA-N -1 3 362.348 3.054 20 0 FGADHM O=C(c1c[n-]c2ccncc2c1=O)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000575642057 505987571 /nfs/dbraw/zinc/98/75/71/505987571.db2.gz NJDNUVWMIZGDIQ-CVAIRZPRSA-N -1 3 359.429 3.331 20 0 FGADHM COC(=O)c1sc2[n-]c(CSc3ccncc3C)nc(=O)c2c1C ZINC000292815727 498157011 /nfs/dbraw/zinc/15/70/11/498157011.db2.gz PHJKUIHSIHFUBU-UHFFFAOYSA-N -1 3 361.448 3.488 20 0 FGADHM COCCCON=C([O-])Nc1ncc(Cc2ccc(C)c(F)c2)s1 ZINC000285651464 498160604 /nfs/dbraw/zinc/16/06/04/498160604.db2.gz MIHQQOUNFLCVNI-UHFFFAOYSA-N -1 3 353.419 3.271 20 0 FGADHM COCCCO[N-]C(=O)Nc1ncc(Cc2ccc(C)c(F)c2)s1 ZINC000285651464 498160610 /nfs/dbraw/zinc/16/06/10/498160610.db2.gz MIHQQOUNFLCVNI-UHFFFAOYSA-N -1 3 353.419 3.271 20 0 FGADHM CC(C)[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)CCO1 ZINC000330627762 498163206 /nfs/dbraw/zinc/16/32/06/498163206.db2.gz KOQCSIIJAZUQOL-AAEUAGOBSA-N -1 3 369.380 3.326 20 0 FGADHM CCOCc1nc([C@@H](C)[N-]S(=O)(=O)c2ccc([C@@H](C)CC)cc2)no1 ZINC000289507931 498174032 /nfs/dbraw/zinc/17/40/32/498174032.db2.gz KOTQONIXNNTQNP-QWHCGFSZSA-N -1 3 367.471 3.159 20 0 FGADHM O=c1nc(Cc2noc(-c3cncs3)n2)[n-]c2scc(C3CC3)c21 ZINC000351207318 498196692 /nfs/dbraw/zinc/19/66/92/498196692.db2.gz XNFKLJHMBOZZKM-UHFFFAOYSA-N -1 3 357.420 3.372 20 0 FGADHM C[C@@H](CCCc1ccccc1)C(=O)N=c1[n-]n(C)cc1Br ZINC000569695514 505996060 /nfs/dbraw/zinc/99/60/60/505996060.db2.gz BRKFVLOVQBXDQM-LBPRGKRZSA-N -1 3 350.260 3.202 20 0 FGADHM Cc1ccc2cc(C(=O)N3CCC(C[N-]C(=O)C(F)(F)F)CC3)[nH]c2c1 ZINC000281587562 498203244 /nfs/dbraw/zinc/20/32/44/498203244.db2.gz BZBQZJDYUWXXNH-UHFFFAOYSA-N -1 3 367.371 3.007 20 0 FGADHM COC(=O)c1ncc([N-]S(=O)(=O)Cc2ccc(C)c(C)c2)cc1Cl ZINC000572558772 505996494 /nfs/dbraw/zinc/99/64/94/505996494.db2.gz NDOLPDCPCINNHI-UHFFFAOYSA-N -1 3 368.842 3.080 20 0 FGADHM Cc1ccsc1[C@H]1C[C@H]1C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000281619218 498215737 /nfs/dbraw/zinc/21/57/37/498215737.db2.gz FRMZVMARMGJZNQ-QWHCGFSZSA-N -1 3 374.428 3.077 20 0 FGADHM COC[C@H](C)Nc1ccccc1NC(=O)c1[n-]nc2c1cccc2OC ZINC000293003141 498230907 /nfs/dbraw/zinc/23/09/07/498230907.db2.gz SXYVYOOZCOSLAK-LBPRGKRZSA-N -1 3 354.410 3.271 20 0 FGADHM COC[C@H](C)Nc1ccccc1NC(=O)c1n[n-]c2c1cccc2OC ZINC000293003141 498230912 /nfs/dbraw/zinc/23/09/12/498230912.db2.gz SXYVYOOZCOSLAK-LBPRGKRZSA-N -1 3 354.410 3.271 20 0 FGADHM Cn1ccnc1-c1nnc([N-]C(=O)c2scnc2C2CCCC2)s1 ZINC000359960770 498231442 /nfs/dbraw/zinc/23/14/42/498231442.db2.gz PVMSZRVMSCXGPX-UHFFFAOYSA-N -1 3 360.468 3.305 20 0 FGADHM COc1ccc(S(=O)(=O)[N-][C@H]2CCC[C@@H](C(F)(F)F)C2)c(F)c1 ZINC000331091266 498251082 /nfs/dbraw/zinc/25/10/82/498251082.db2.gz WJCGRHQMMLSLAW-ZJUUUORDSA-N -1 3 355.353 3.234 20 0 FGADHM COc1cccc2c(C(=O)Nc3ccc(N4CCCCC4)cn3)[n-]nc21 ZINC000575786297 506004416 /nfs/dbraw/zinc/00/44/16/506004416.db2.gz HSMCEOVVYVTRQK-UHFFFAOYSA-N -1 3 351.410 3.209 20 0 FGADHM COc1cccc2c(C(=O)Nc3ccc(N4CCCCC4)cn3)n[n-]c21 ZINC000575786297 506004419 /nfs/dbraw/zinc/00/44/19/506004419.db2.gz HSMCEOVVYVTRQK-UHFFFAOYSA-N -1 3 351.410 3.209 20 0 FGADHM O=c1[n-]cnc2c1CN(c1nc(-c3cccs3)nc3ccccc31)CC2 ZINC000301770265 498257402 /nfs/dbraw/zinc/25/74/02/498257402.db2.gz FKSQVUSQJXABNE-UHFFFAOYSA-N -1 3 361.430 3.417 20 0 FGADHM O=C([N-]CC1CCN(C(=O)[C@@H]2CCCc3ccccc32)CC1)C(F)(F)F ZINC000281779587 498266158 /nfs/dbraw/zinc/26/61/58/498266158.db2.gz RNPDTURXTOQZMC-MRXNPFEDSA-N -1 3 368.399 3.024 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H]3[C@@H]4CCO[C@H]4C34CCC4)nc2)n1 ZINC000301801971 498270524 /nfs/dbraw/zinc/27/05/24/498270524.db2.gz COHLAWYQKFHGGD-BMGDILEWSA-N -1 3 352.438 3.176 20 0 FGADHM COC(=O)[C@H]1C[C@@H](OC)CN1C(=O)c1cc(C(C)C)cc(C(C)C)c1[O-] ZINC000331241096 498282529 /nfs/dbraw/zinc/28/25/29/498282529.db2.gz PTIRQBBTUHYSHH-RHSMWYFYSA-N -1 3 363.454 3.042 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@@](C)(O)c3ccc(F)cc3)nc2)n1 ZINC000301831314 498283837 /nfs/dbraw/zinc/28/38/37/498283837.db2.gz IHFIZJNXMPMFRX-HXUWFJFHSA-N -1 3 368.412 3.265 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(N3CC[C@H](Cc4ccncc4)C3)nc2)n1 ZINC000360690679 498298723 /nfs/dbraw/zinc/29/87/23/498298723.db2.gz KCTUUTWXYFNMBM-MRXNPFEDSA-N -1 3 361.449 3.271 20 0 FGADHM O=S(=O)([N-]Cc1cn2c(n1)CCCC2)c1ccc(Cl)cc1Cl ZINC000281946375 498329178 /nfs/dbraw/zinc/32/91/78/498329178.db2.gz JGBDEUPLADZZPI-UHFFFAOYSA-N -1 3 360.266 3.005 20 0 FGADHM Cc1cc(C)c2[n-]cc(C(=O)Nc3ccc(Cn4ccnc4)cn3)c(=O)c2c1 ZINC000572634443 506016813 /nfs/dbraw/zinc/01/68/13/506016813.db2.gz SEHDEYAFQFDURA-UHFFFAOYSA-N -1 3 373.416 3.037 20 0 FGADHM CC(C)c1nc(Sc2nnc(-c3ccccc3F)[n-]2)nc(N(C)C)n1 ZINC000301937865 498336469 /nfs/dbraw/zinc/33/64/69/498336469.db2.gz SCVNYJLSKFLSLT-UHFFFAOYSA-N -1 3 359.434 3.136 20 0 FGADHM CC(C)c1nc(Sc2nc(-c3ccccc3F)n[n-]2)nc(N(C)C)n1 ZINC000301937865 498336474 /nfs/dbraw/zinc/33/64/74/498336474.db2.gz SCVNYJLSKFLSLT-UHFFFAOYSA-N -1 3 359.434 3.136 20 0 FGADHM CC(C)c1nc(Sc2n[n-]c(-c3ccccc3F)n2)nc(N(C)C)n1 ZINC000301937865 498336478 /nfs/dbraw/zinc/33/64/78/498336478.db2.gz SCVNYJLSKFLSLT-UHFFFAOYSA-N -1 3 359.434 3.136 20 0 FGADHM CC(C)(C)c1ccc([C@H]2CCCN2CC(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC000581613009 506027717 /nfs/dbraw/zinc/02/77/17/506027717.db2.gz OFJYOMDAQPUKSW-LJQANCHMSA-N -1 3 372.509 3.444 20 0 FGADHM O=C(CNC(=O)c1ccc([O-])cc1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000569795085 506018444 /nfs/dbraw/zinc/01/84/44/506018444.db2.gz DCEALDNMOWSDKE-UHFFFAOYSA-N -1 3 372.730 3.433 20 0 FGADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)N1CCC[C@H]1c1ccc(F)cc1 ZINC000331495161 498350362 /nfs/dbraw/zinc/35/03/62/498350362.db2.gz JEYZQHRIJMOCMR-NSHDSACASA-N -1 3 357.311 3.009 20 0 FGADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)N1CCC[C@H]1c1ccc(F)cc1 ZINC000331495161 498350369 /nfs/dbraw/zinc/35/03/69/498350369.db2.gz JEYZQHRIJMOCMR-NSHDSACASA-N -1 3 357.311 3.009 20 0 FGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N1CCC[C@H]1c1ccc(F)cc1 ZINC000331495161 498350375 /nfs/dbraw/zinc/35/03/75/498350375.db2.gz JEYZQHRIJMOCMR-NSHDSACASA-N -1 3 357.311 3.009 20 0 FGADHM CNC(=O)c1sc2[n-]c(CC(=O)c3ccc(C)c(C)c3)nc(=O)c2c1C ZINC000289970114 498376238 /nfs/dbraw/zinc/37/62/38/498376238.db2.gz QVMNBLBBTWBFGP-UHFFFAOYSA-N -1 3 369.446 3.107 20 0 FGADHM CO[C@@H]1[C@H]2C[C@H]3CN(Cc4cc(=O)oc5cc([O-])c(Cl)cc45)[C@H]1[C@H]3C2 ZINC000286366877 498377589 /nfs/dbraw/zinc/37/75/89/498377589.db2.gz GEAMFXYJJUBCAJ-FQRCSCPHSA-N -1 3 361.825 3.007 20 0 FGADHM O=C1C[C@H](c2noc(-c3cc([O-])ccc3C(F)(F)F)n2)CN1CC1CC1 ZINC000289974358 498377804 /nfs/dbraw/zinc/37/78/04/498377804.db2.gz CWLWYVWTIGSFHH-JTQLQIEISA-N -1 3 367.327 3.187 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)o1 ZINC000331599589 498388391 /nfs/dbraw/zinc/38/83/91/498388391.db2.gz VEBICGHXPXUZFR-GDBMZVCRSA-N -1 3 372.849 3.104 20 0 FGADHM CCOc1cc(CN2CCC[C@](C)(O)CC2)cc(Br)c1[O-] ZINC000297296687 498394998 /nfs/dbraw/zinc/39/49/98/498394998.db2.gz AGCDWSLSQIMGFK-INIZCTEOSA-N -1 3 358.276 3.290 20 0 FGADHM CO[C@@H](C)CS(=O)(=O)[N-]c1c(C)cc(Br)cc1Cl ZINC000282178373 498412909 /nfs/dbraw/zinc/41/29/09/498412909.db2.gz IZIRLVKMNRCHCX-QMMMGPOBSA-N -1 3 356.669 3.188 20 0 FGADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCSC[C@@H]1c1ccccc1 ZINC000361683981 498418416 /nfs/dbraw/zinc/41/84/16/498418416.db2.gz FQFXQJJKIALANH-GOSISDBHSA-N -1 3 350.443 3.458 20 0 FGADHM COc1cc(Cl)c(NC(=O)c2c(C)[n-]c(=O)nc2SC)cc1C ZINC000293607106 498427386 /nfs/dbraw/zinc/42/73/86/498427386.db2.gz JCHRVCHVYXJAGQ-UHFFFAOYSA-N -1 3 353.831 3.435 20 0 FGADHM C[C@H]1CC[S@](=O)CCN1C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000365380107 498435305 /nfs/dbraw/zinc/43/53/05/498435305.db2.gz KNSVJZLABUUXJW-SXBQZSJRSA-N -1 3 359.447 3.168 20 0 FGADHM CN(Cc1nc(=O)c2cc(-c3ccccc3)sc2[n-]1)[C@@H]1CCC[C@H]1O ZINC000286566952 498437043 /nfs/dbraw/zinc/43/70/43/498437043.db2.gz PIPRZYKHQOBVHV-HUUCEWRRSA-N -1 3 355.463 3.409 20 0 FGADHM Cc1cn2c(n1)[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)CCC2 ZINC000331761767 498445460 /nfs/dbraw/zinc/44/54/60/498445460.db2.gz FCGUUYXOZCAMLM-LLVKDONJSA-N -1 3 374.293 3.354 20 0 FGADHM CC(C)[C@@H]1CN(C(=O)NCc2ccc([O-])c(Br)c2)CCCO1 ZINC000297426595 498445577 /nfs/dbraw/zinc/44/55/77/498445577.db2.gz TXKCPWBXXIIXCE-HNNXBMFYSA-N -1 3 371.275 3.111 20 0 FGADHM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)CCO1 ZINC000286600279 498448935 /nfs/dbraw/zinc/44/89/35/498448935.db2.gz XSSRDRVZZXHCAY-WPRPVWTQSA-N -1 3 357.781 3.205 20 0 FGADHM C[C@H]1CCCc2nc(S(=O)(=O)[N-]Cc3ccc(F)c(Cl)c3)cn21 ZINC000578848140 506035684 /nfs/dbraw/zinc/03/56/84/506035684.db2.gz KHZFEVLLESLBED-JTQLQIEISA-N -1 3 357.838 3.051 20 0 FGADHM O=c1cc(CN2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)nc(C2CC2)[n-]1 ZINC000581652851 506037661 /nfs/dbraw/zinc/03/76/61/506037661.db2.gz QOYPSFPWOXAKIP-ZDUSSCGKSA-N -1 3 367.375 3.112 20 0 FGADHM CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)c2cc([O-])ccc2Cl)C1 ZINC000290204721 498464550 /nfs/dbraw/zinc/46/45/50/498464550.db2.gz IDPNWWCDKMTTDC-LBPRGKRZSA-N -1 3 368.861 3.423 20 0 FGADHM Cc1ccc(NC(=O)CN2C[C@H](C(=O)[O-])[C@@H](c3ccccc3)C2)cc1C ZINC000578866959 506040107 /nfs/dbraw/zinc/04/01/07/506040107.db2.gz DLVCJJZXHNYJHJ-MOPGFXCFSA-N -1 3 352.434 3.042 20 0 FGADHM O=C(c1ccc([O-])cc1)N1CCN(c2ccnc3cc(F)ccc32)CC1 ZINC000302691266 498534194 /nfs/dbraw/zinc/53/41/94/498534194.db2.gz ZLOUHPXXCULVFK-UHFFFAOYSA-N -1 3 351.381 3.042 20 0 FGADHM C[C@H](CC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1)c1cccc(F)c1 ZINC000290391602 498535235 /nfs/dbraw/zinc/53/52/35/498535235.db2.gz OYSXEKBTTLHBHH-CHWSQXEVSA-N -1 3 374.378 3.236 20 0 FGADHM C/C(=C\C(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1)c1cccc(F)c1 ZINC000290407361 498541579 /nfs/dbraw/zinc/54/15/79/498541579.db2.gz QLBRSLFNMZVZBU-YQCJOKCJSA-N -1 3 372.362 3.146 20 0 FGADHM O=C(c1cc([O-])ccc1Cl)N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000290444871 498556302 /nfs/dbraw/zinc/55/63/02/498556302.db2.gz SDRAACMSCDRAHH-HNNXBMFYSA-N -1 3 353.846 3.236 20 0 FGADHM COc1ccc(C(=O)N(C)[C@H](c2ccc(F)cc2)c2ncccn2)c([O-])c1 ZINC000362846244 498564191 /nfs/dbraw/zinc/56/41/91/498564191.db2.gz GXHJLPSNAXPRQW-GOSISDBHSA-N -1 3 367.380 3.192 20 0 FGADHM Cc1ccc(-c2nnc([N-]C(=O)c3conc3C(C)(C)N)s2)c(C)c1 ZINC000581735861 506056848 /nfs/dbraw/zinc/05/68/48/506056848.db2.gz DSQUCEPZFSDPJP-UHFFFAOYSA-N -1 3 357.439 3.256 20 0 FGADHM CN(C(=O)c1cccc2[n-]nnc21)[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000578950952 506057984 /nfs/dbraw/zinc/05/79/84/506057984.db2.gz YNONLECFRKWCAW-IRXDYDNUSA-N -1 3 350.422 3.276 20 0 FGADHM CN(C(=O)c1cccc2nn[n-]c21)[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000578950952 506057989 /nfs/dbraw/zinc/05/79/89/506057989.db2.gz YNONLECFRKWCAW-IRXDYDNUSA-N -1 3 350.422 3.276 20 0 FGADHM CN(C(=O)c1cccc2n[n-]nc21)[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000578950952 506057992 /nfs/dbraw/zinc/05/79/92/506057992.db2.gz YNONLECFRKWCAW-IRXDYDNUSA-N -1 3 350.422 3.276 20 0 FGADHM CCSc1cccc(Br)c1[N-]C(=O)c1cnn(CC)n1 ZINC000297851695 498587465 /nfs/dbraw/zinc/58/74/65/498587465.db2.gz RZINVYALFUKBAD-UHFFFAOYSA-N -1 3 355.261 3.425 20 0 FGADHM COC(=O)C1(CS(=O)(=O)[N-]c2ccccc2CSC)CCCC1 ZINC000290533081 498588012 /nfs/dbraw/zinc/58/80/12/498588012.db2.gz OKVSRLBQXDUMID-UHFFFAOYSA-N -1 3 357.497 3.025 20 0 FGADHM C[C@H](c1ccc(F)cc1)N1CCC[C@H](NC(=O)c2cccc([O-])c2)C1=O ZINC000294186677 498614219 /nfs/dbraw/zinc/61/42/19/498614219.db2.gz NFIBZFDWFCQBLX-ACJLOTCBSA-N -1 3 356.397 3.013 20 0 FGADHM C[C@H]1Cc2ccccc2[C@H]1[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000332247970 498618043 /nfs/dbraw/zinc/61/80/43/498618043.db2.gz BDQVJMYQVVVSNK-BONVTDFDSA-N -1 3 356.369 3.312 20 0 FGADHM C[C@H]1CC[C@H](NC(=O)c2ccc([N-]S(C)(=O)=O)cc2)c2ccccc21 ZINC000332322806 498649179 /nfs/dbraw/zinc/64/91/79/498649179.db2.gz JSXZFHNKBMFFOC-UGSOOPFHSA-N -1 3 358.463 3.427 20 0 FGADHM CCCCOCCC[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000303134344 498649909 /nfs/dbraw/zinc/64/99/09/498649909.db2.gz BVLLPQYUQWYOPT-UHFFFAOYSA-N -1 3 357.369 3.330 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)c1ccc(F)cc1F ZINC000303239400 498657160 /nfs/dbraw/zinc/65/71/60/498657160.db2.gz AFCWECQHCSRARR-SSDOTTSWSA-N -1 3 351.296 3.422 20 0 FGADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@@H]1CCC1(C)C ZINC000581841958 506071310 /nfs/dbraw/zinc/07/13/10/506071310.db2.gz LUXCHMVTDGHUHC-GFCCVEGCSA-N -1 3 353.465 3.155 20 0 FGADHM C[C@@H]1CN(C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)[C@@H]1C ZINC000294389943 498679100 /nfs/dbraw/zinc/67/91/00/498679100.db2.gz YEILHKWJBDCFSY-SPYBWZPUSA-N -1 3 352.434 3.120 20 0 FGADHM CCc1cc(C(=O)N2CCC(NC(=O)C3CCCCC3)CC2)ccc1[O-] ZINC000365873380 498681575 /nfs/dbraw/zinc/68/15/75/498681575.db2.gz DOQXEIXINZLSGO-UHFFFAOYSA-N -1 3 358.482 3.256 20 0 FGADHM O=C(NC1CCN(C(=O)c2cccc([O-])c2)CC1)NC1CCCCCCC1 ZINC000363164321 498681631 /nfs/dbraw/zinc/68/16/31/498681631.db2.gz LRKRSQWJKUKTIQ-UHFFFAOYSA-N -1 3 373.497 3.409 20 0 FGADHM O=C([N-]c1nnc(C2CCOCC2)s1)c1cnc(Cl)c(Cl)c1 ZINC000294404117 498684009 /nfs/dbraw/zinc/68/40/09/498684009.db2.gz TXJIILHARCXBLE-UHFFFAOYSA-N -1 3 359.238 3.386 20 0 FGADHM CCC1(CC)Oc2ccc([N-]S(=O)(=O)C[C@@H](OC)C3CC3)cc2O1 ZINC000579009140 506073951 /nfs/dbraw/zinc/07/39/51/506073951.db2.gz MHPXZSJJANWMII-MRXNPFEDSA-N -1 3 355.456 3.141 20 0 FGADHM O=C(c1cc([O-])ccc1Cl)N1CCOC[C@@H]1C[C@H](O)c1ccccc1 ZINC000290885564 498711323 /nfs/dbraw/zinc/71/13/23/498711323.db2.gz BSULQEYIRBNRRN-KSSFIOAISA-N -1 3 361.825 3.010 20 0 FGADHM CS[C@H](C)C[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000304310062 498733685 /nfs/dbraw/zinc/73/36/85/498733685.db2.gz QJSQZOXULNSXSO-SSDOTTSWSA-N -1 3 358.710 3.132 20 0 FGADHM CCC[C@@H](C)CS(=O)(=O)[N-][C@H](C)c1nc(-c2ccccc2OC)no1 ZINC000363264752 498735737 /nfs/dbraw/zinc/73/57/37/498735737.db2.gz RDASQNVUDQOGTR-CHWSQXEVSA-N -1 3 367.471 3.162 20 0 FGADHM O=C(Nc1cc(Cc2ccccc2)ccc1[O-])c1cnc2[nH]c(=O)[nH]c2c1 ZINC000579057980 506083697 /nfs/dbraw/zinc/08/36/97/506083697.db2.gz VNJYDQIRQLPEDJ-UHFFFAOYSA-N -1 3 360.373 3.212 20 0 FGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1ccn(C2CCCCC2)n1 ZINC000332652604 498753860 /nfs/dbraw/zinc/75/38/60/498753860.db2.gz LWFZTRCBGTYNHT-UHFFFAOYSA-N -1 3 362.455 3.012 20 0 FGADHM COc1ccc2c(c1)[n-]cc(C(=O)N1CCCC[C@@H]1c1ncc[nH]1)c2=O ZINC000298410991 498762288 /nfs/dbraw/zinc/76/22/88/498762288.db2.gz PDLDEGAMKDLWQG-MRXNPFEDSA-N -1 3 352.394 3.040 20 0 FGADHM CCC(O)(CC)C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000315843773 498785200 /nfs/dbraw/zinc/78/52/00/498785200.db2.gz CTSQBDHKPSIFFB-UHFFFAOYSA-N -1 3 359.797 3.188 20 0 FGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1cccc(F)c1Br ZINC000316959508 498790921 /nfs/dbraw/zinc/79/09/21/498790921.db2.gz IUOLRWLVHBBFML-UHFFFAOYSA-N -1 3 362.162 3.021 20 0 FGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1cccc(F)c1Br ZINC000316959508 498790929 /nfs/dbraw/zinc/79/09/29/498790929.db2.gz IUOLRWLVHBBFML-UHFFFAOYSA-N -1 3 362.162 3.021 20 0 FGADHM C[C@@H]1CC[C@H](NC(=O)NC2CCN(C(=O)c3cccc([O-])c3)CC2)[C@@H](C)C1 ZINC000363407161 498804567 /nfs/dbraw/zinc/80/45/67/498804567.db2.gz SSXGOOGYFANCDH-VCBZYWHSSA-N -1 3 373.497 3.121 20 0 FGADHM CN(C)C[C@@H]1CN(C(=O)c2ccc3[n-]c(=S)oc3c2)c2ccccc2O1 ZINC000366169321 498806375 /nfs/dbraw/zinc/80/63/75/498806375.db2.gz JLPSKWAQQKDTGR-CYBMUJFWSA-N -1 3 369.446 3.086 20 0 FGADHM CN(C)C(=O)[C@H]1CCC[C@@H](NC(=O)CCc2ccc3ccccc3c2[O-])C1 ZINC000294791304 498806747 /nfs/dbraw/zinc/80/67/47/498806747.db2.gz DJHLDEGIJNSLLV-ZWKOTPCHSA-N -1 3 368.477 3.241 20 0 FGADHM Cc1nc(-c2ccc(NC(=O)N[C@@H]3[C@H]4CCO[C@H]4C3(C)C)cc2)cc(=O)[n-]1 ZINC000332860985 498816399 /nfs/dbraw/zinc/81/63/99/498816399.db2.gz WJQPZZQYBXVPMI-ZTFGCOKTSA-N -1 3 368.437 3.093 20 0 FGADHM C[C@@H]1CCN([C@H](C(=O)Nc2ccccc2)c2ccccc2)C[C@@H]1C(=O)[O-] ZINC000573000799 506096773 /nfs/dbraw/zinc/09/67/73/506096773.db2.gz RTYXWGYDYSUKLT-MNEFBYGVSA-N -1 3 352.434 3.409 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)N1CC(=O)Nc2cccc3c2[C@H]1CCC3 ZINC000366227357 498831428 /nfs/dbraw/zinc/83/14/28/498831428.db2.gz UHWUEFVECSYYGC-MRXNPFEDSA-N -1 3 369.396 3.073 20 0 FGADHM CC[C@H](C)Oc1cc(C(=O)N=c2[nH][n-]c(C)c2-c2ccncc2)ccn1 ZINC000366262363 498847687 /nfs/dbraw/zinc/84/76/87/498847687.db2.gz WNDDRODHAUBRGF-LBPRGKRZSA-N -1 3 351.410 3.027 20 0 FGADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@H]1CCCCC12CCCC2 ZINC000327840056 498864320 /nfs/dbraw/zinc/86/43/20/498864320.db2.gz PAXRPQKYAKWWDZ-INIZCTEOSA-N -1 3 369.458 3.394 20 0 FGADHM O=C(c1cc(F)cc2[n-]nnc21)N1CCC(Cc2cccc(F)c2)CC1 ZINC000328646315 498888205 /nfs/dbraw/zinc/88/82/05/498888205.db2.gz GVUZAWAIMUDHBI-UHFFFAOYSA-N -1 3 356.376 3.331 20 0 FGADHM O=C(c1cc(F)cc2nn[n-]c21)N1CCC(Cc2cccc(F)c2)CC1 ZINC000328646315 498888208 /nfs/dbraw/zinc/88/82/08/498888208.db2.gz GVUZAWAIMUDHBI-UHFFFAOYSA-N -1 3 356.376 3.331 20 0 FGADHM O=C(c1cc(F)cc2n[n-]nc21)N1CCC(Cc2cccc(F)c2)CC1 ZINC000328646315 498888213 /nfs/dbraw/zinc/88/82/13/498888213.db2.gz GVUZAWAIMUDHBI-UHFFFAOYSA-N -1 3 356.376 3.331 20 0 FGADHM O=C(NC1CCN(C(=O)c2cc([O-])c3ccccc3c2)CC1)C1CCC1 ZINC000366391790 498906435 /nfs/dbraw/zinc/90/64/35/498906435.db2.gz OQXHOJVHVWJKMD-UHFFFAOYSA-N -1 3 352.434 3.066 20 0 FGADHM CCOc1nc2cc(C(=O)N3CCO[C@H](c4ccccc4)C3)ccc2[n-]1 ZINC000576245091 506111807 /nfs/dbraw/zinc/11/18/07/506111807.db2.gz MPYWJRAZIOCWOZ-SFHVURJKSA-N -1 3 351.406 3.175 20 0 FGADHM CCOc1nc2ccc(C(=O)N3CCO[C@H](c4ccccc4)C3)cc2[n-]1 ZINC000576245091 506111810 /nfs/dbraw/zinc/11/18/10/506111810.db2.gz MPYWJRAZIOCWOZ-SFHVURJKSA-N -1 3 351.406 3.175 20 0 FGADHM CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)[N-]OCc1cccnc1)O[C@@H](C)C2 ZINC000366432086 498925066 /nfs/dbraw/zinc/92/50/66/498925066.db2.gz APVCAPNAUVEWAP-QANKJYHBSA-N -1 3 368.433 3.155 20 0 FGADHM CCC(CC)(CC(=O)OC)NC(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000288153882 498955106 /nfs/dbraw/zinc/95/51/06/498955106.db2.gz ZIJUQIXAPRZUFV-UHFFFAOYSA-N -1 3 362.401 3.240 20 0 FGADHM O=S(=O)(C[C@@H]1CCCC1(F)F)[N-]Cc1nc(C(F)(F)F)cs1 ZINC000295270236 498960765 /nfs/dbraw/zinc/96/07/65/498960765.db2.gz RZCBUELAMPCVSI-ZETCQYMHSA-N -1 3 364.361 3.017 20 0 FGADHM CC(C)(C)OC(=O)NC1CCN(C(=O)c2c[n-]c3ccccc3c2=O)CC1 ZINC000299093115 498963235 /nfs/dbraw/zinc/96/32/35/498963235.db2.gz UDISXRGULQNAGF-UHFFFAOYSA-N -1 3 371.437 3.070 20 0 FGADHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3=O)c(CN(C)C)c1 ZINC000295303088 498973538 /nfs/dbraw/zinc/97/35/38/498973538.db2.gz MLAMPDPLUZDNIU-UHFFFAOYSA-N -1 3 372.490 3.376 20 0 FGADHM CC(C)n1cnc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000333303153 498973577 /nfs/dbraw/zinc/97/35/77/498973577.db2.gz TYXJXVYKPRBNCT-SMDDNHRTSA-N -1 3 357.838 3.091 20 0 FGADHM O=C(C/C=C/c1ccc(F)cc1)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000291518495 498974159 /nfs/dbraw/zinc/97/41/59/498974159.db2.gz XSVSMOHYKRYEAQ-YOUVMVQBSA-N -1 3 372.362 3.146 20 0 FGADHM CCOC(=O)/C(=C/c1cc(Cl)c([O-])c(OCC)c1)c1nccn1C ZINC000299149687 498979253 /nfs/dbraw/zinc/97/92/53/498979253.db2.gz XTEVETJUGMXZRW-XYOKQWHBSA-N -1 3 350.802 3.282 20 0 FGADHM CC(C)(C)OC(=O)N1CC[C@]2(C[C@H]2C(=O)Nc2cccc([O-])c2F)C1 ZINC000363766399 498982759 /nfs/dbraw/zinc/98/27/59/498982759.db2.gz HEKALQMDTJMHBC-VOJFVSQTSA-N -1 3 350.390 3.117 20 0 FGADHM CC(C)C[C@@H]1C[C@H]1NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000570258287 506126852 /nfs/dbraw/zinc/12/68/52/506126852.db2.gz CQECLAGMEGMIFZ-QMTHXVAHSA-N -1 3 363.255 3.455 20 0 FGADHM COc1ccc(CNCc2noc3c2CCCC3)c(Br)c1[O-] ZINC000288461137 499031327 /nfs/dbraw/zinc/03/13/27/499031327.db2.gz NZQSXSDSEXYMLP-UHFFFAOYSA-N -1 3 367.243 3.320 20 0 FGADHM CC1(C)CCc2nc(NC(=O)c3c[n-]c4ccncc4c3=O)sc2C1 ZINC000570266216 506128717 /nfs/dbraw/zinc/12/87/17/506128717.db2.gz NSRBUNWNUSYCPF-UHFFFAOYSA-N -1 3 354.435 3.147 20 0 FGADHM CCCCCC(=O)NC1CCN(C(=O)c2c[n-]c3ccccc3c2=O)CC1 ZINC000299457090 499065089 /nfs/dbraw/zinc/06/50/89/499065089.db2.gz BOSMNFKOYBTAHJ-UHFFFAOYSA-N -1 3 369.465 3.242 20 0 FGADHM O=S(=O)([N-][C@@H]1CCOC2(CCC2)C1)c1ccc(C(F)(F)F)s1 ZINC000291796039 499070833 /nfs/dbraw/zinc/07/08/33/499070833.db2.gz YFEWRVUGQNBZGB-SECBINFHSA-N -1 3 355.403 3.147 20 0 FGADHM COc1ccc([C@@H](NCc2n[n-]c(=O)s2)c2ccc3c(c2)CCO3)cc1 ZINC000366964472 499123403 /nfs/dbraw/zinc/12/34/03/499123403.db2.gz ULSYARYOOKGJKM-GOSISDBHSA-N -1 3 369.446 3.066 20 0 FGADHM C[C@H]1CC[C@@](C)(C(=O)Nc2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)C1(C)C ZINC000582106884 506135542 /nfs/dbraw/zinc/13/55/42/506135542.db2.gz XYDSSDXSHCCUBC-OUWQEXSBSA-N -1 3 357.454 3.142 20 0 FGADHM Cc1nc(-c2ccc(NC(=O)N3CCOC[C@@H]3CC(C)C)cc2)cc(=O)[n-]1 ZINC000329481892 499127082 /nfs/dbraw/zinc/12/70/82/499127082.db2.gz DMYBISPFPADZEF-KRWDZBQOSA-N -1 3 370.453 3.436 20 0 FGADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCN[C@@H](c2ccncc2)C1 ZINC000367083774 499146206 /nfs/dbraw/zinc/14/62/06/499146206.db2.gz IVAKAMDYAGUKOP-OAQYLSRUSA-N -1 3 373.456 3.165 20 0 FGADHM CCCCOc1ccc(C(=O)N2CCC[C@@H](c3ccncn3)C2)c([O-])c1 ZINC000367292682 499174713 /nfs/dbraw/zinc/17/47/13/499174713.db2.gz UKSJZQFBPLUPHL-OAHLLOKOSA-N -1 3 355.438 3.381 20 0 FGADHM CCN(C(=O)CCc1c(C)nc(C)[n-]c1=O)[C@H]1CCCc2cccnc21 ZINC000372795094 499176283 /nfs/dbraw/zinc/17/62/83/499176283.db2.gz YNPLQHJTIYAOEO-KRWDZBQOSA-N -1 3 354.454 3.053 20 0 FGADHM Cc1c(-c2ccncc2)[n-][nH]c1=NC(=O)c1ccc(-c2cncnc2)cc1F ZINC000372923172 499194938 /nfs/dbraw/zinc/19/49/38/499194938.db2.gz KNXQXYGDUSCENY-UHFFFAOYSA-N -1 3 374.379 3.050 20 0 FGADHM O=C(C[C@H]1CCCN1C(=O)c1cc(=O)c2ccccc2[n-]1)c1ccccc1 ZINC000370309691 499208330 /nfs/dbraw/zinc/20/83/30/499208330.db2.gz NIZVJORFCJUEQI-MRXNPFEDSA-N -1 3 360.413 3.406 20 0 FGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1cccc(-c2nc(C)co2)c1 ZINC000370434218 499220284 /nfs/dbraw/zinc/22/02/84/499220284.db2.gz SDVLAFXVYAJRCX-UHFFFAOYSA-N -1 3 356.407 3.428 20 0 FGADHM C[C@H](NCC(=O)[N-]OCc1ccccc1)c1ccc(-c2cncnc2)cc1 ZINC000367646163 499220930 /nfs/dbraw/zinc/22/09/30/499220930.db2.gz POHDHBWFOFTFEX-INIZCTEOSA-N -1 3 362.433 3.042 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)NC[C@H]3OCCc4ccccc43)c[n-]c12 ZINC000370694796 499245090 /nfs/dbraw/zinc/24/50/90/499245090.db2.gz RLSNJELCFKODEF-GOSISDBHSA-N -1 3 366.392 3.019 20 0 FGADHM O=C(NC1CCN(C(=O)c2cccc([O-])c2)CC1)c1ccc(Cl)s1 ZINC000370726820 499248750 /nfs/dbraw/zinc/24/87/50/499248750.db2.gz LSOGGTWJDUHQDA-UHFFFAOYSA-N -1 3 364.854 3.142 20 0 FGADHM Cc1ccc([O-])c(NC(=O)CCc2nnc(-c3ccc(Cl)cc3)o2)n1 ZINC000368272778 499280362 /nfs/dbraw/zinc/28/03/62/499280362.db2.gz OABZZCVURSWPAV-UHFFFAOYSA-N -1 3 358.785 3.370 20 0 FGADHM CCc1cc(C(=O)N[C@H]2CCN(C(C)=O)Cc3cc(F)ccc32)ccc1[O-] ZINC000368276023 499280592 /nfs/dbraw/zinc/28/05/92/499280592.db2.gz FRSWXAROUOXIGA-IBGZPJMESA-N -1 3 370.424 3.317 20 0 FGADHM O=S(=O)([N-][C@@H](c1ccccc1)c1ccncc1)c1cncc(Cl)c1 ZINC000371107191 499289281 /nfs/dbraw/zinc/28/92/81/499289281.db2.gz DAUVRTYGYOXTCG-KRWDZBQOSA-N -1 3 359.838 3.198 20 0 FGADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)C(C)(C)C3CCOCC3)cc2)n1 ZINC000368447758 499296948 /nfs/dbraw/zinc/29/69/48/499296948.db2.gz VEFFHUQNBONPRS-UHFFFAOYSA-N -1 3 355.438 3.137 20 0 FGADHM Cc1ncc(S(=O)(=O)[N-][C@H](c2cccc(F)c2)c2ccccn2)s1 ZINC000371370102 499316257 /nfs/dbraw/zinc/31/62/57/499316257.db2.gz SRSSTANRLJDTBX-MRXNPFEDSA-N -1 3 363.439 3.054 20 0 FGADHM O=C(NC1CCN(C(=O)c2cccc([O-])c2)CC1)NC1CCCCCC1 ZINC000368751437 499328143 /nfs/dbraw/zinc/32/81/43/499328143.db2.gz AGGLJQWNMZQEGC-UHFFFAOYSA-N -1 3 359.470 3.019 20 0 FGADHM CSc1ccc(C(=O)N2CCC[C@@H](c3nncn3C3CC3)C2)c([O-])c1 ZINC000368935120 499348242 /nfs/dbraw/zinc/34/82/42/499348242.db2.gz ZZTUQVYYWFKQQC-GFCCVEGCSA-N -1 3 358.467 3.060 20 0 FGADHM CC(C)(C)OC(=O)N1CCC(N(C(=O)c2cccc([O-])c2)C2CC2)CC1 ZINC000371665804 499352687 /nfs/dbraw/zinc/35/26/87/499352687.db2.gz PHDABSNVWOUMEG-UHFFFAOYSA-N -1 3 360.454 3.396 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2C[C@H]3CCCCC[C@@H]32)c1 ZINC000371828908 499369273 /nfs/dbraw/zinc/36/92/73/499369273.db2.gz NWADTWBGMGPOAK-DYVFJYSZSA-N -1 3 369.421 3.346 20 0 FGADHM O=C(c1csc(=O)[n-]1)N1CCC[C@H](COc2ccccc2Cl)C1 ZINC000369142684 499370374 /nfs/dbraw/zinc/37/03/74/499370374.db2.gz JPKOFZYPDJFXAO-NSHDSACASA-N -1 3 352.843 3.433 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)Cc1ccccc1)c1nc(-c2cccc(F)c2)no1 ZINC000369144008 499370407 /nfs/dbraw/zinc/37/04/07/499370407.db2.gz PGMDQCCVSCZTNN-GFCCVEGCSA-N -1 3 361.398 3.056 20 0 FGADHM Cc1ccc(-c2cc(C(=O)N3CCC(c4n[n-]c(=S)o4)CC3)n[nH]2)cc1 ZINC000369175850 499374802 /nfs/dbraw/zinc/37/48/02/499374802.db2.gz FRXNIAHYLMFOQY-UHFFFAOYSA-N -1 3 369.450 3.077 20 0 FGADHM CC(=O)N1CCC(c2nc(-c3ccc([O-])cc3)no2)(c2ccccc2)CC1 ZINC000371886168 499375726 /nfs/dbraw/zinc/37/57/26/499375726.db2.gz PNWROVKLIJDPPF-UHFFFAOYSA-N -1 3 363.417 3.371 20 0 FGADHM C[C@H]1c2ccccc2O[C@H]1c1nc(-c2ccc([N-]S(C)(=O)=O)cc2)no1 ZINC000371908883 499378212 /nfs/dbraw/zinc/37/82/12/499378212.db2.gz IDUAGODYUQXACP-MEDUHNTESA-N -1 3 371.418 3.345 20 0 FGADHM Cc1nn(C)cc1[C@@H]1CCCN1Cc1cc(=O)oc2c(C)c([O-])ccc12 ZINC000371943207 499382648 /nfs/dbraw/zinc/38/26/48/499382648.db2.gz KXYWLJJIBLYQLC-KRWDZBQOSA-N -1 3 353.422 3.186 20 0 FGADHM CCCCC[C@H](CC)C(=O)N1CCC(c2n[n-]c(C(=O)OCC)n2)CC1 ZINC000369357055 499394970 /nfs/dbraw/zinc/39/49/70/499394970.db2.gz FNFPFOZWTJZIKY-AWEZNQCLSA-N -1 3 364.490 3.294 20 0 FGADHM CCCCC[C@H](CC)C(=O)N1CCC(c2nnc(C(=O)OCC)[n-]2)CC1 ZINC000369357055 499394972 /nfs/dbraw/zinc/39/49/72/499394972.db2.gz FNFPFOZWTJZIKY-AWEZNQCLSA-N -1 3 364.490 3.294 20 0 FGADHM CC(C)c1cc(C(=O)N2CCO[C@H](c3ncon3)C2)c([O-])c(C(C)C)c1 ZINC000372145970 499403013 /nfs/dbraw/zinc/40/30/13/499403013.db2.gz GUTDWPZBABQTRV-INIZCTEOSA-N -1 3 359.426 3.236 20 0 FGADHM CCc1cc(=O)[n-]c(CN[C@H](c2cccc(OC)c2)c2ccccn2)n1 ZINC000372166654 499404888 /nfs/dbraw/zinc/40/48/88/499404888.db2.gz JXIFBNULFRSQTJ-HXUWFJFHSA-N -1 3 350.422 3.027 20 0 FGADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000369486981 499407903 /nfs/dbraw/zinc/40/79/03/499407903.db2.gz VQBKKZMXLBPBQY-HNNXBMFYSA-N -1 3 350.393 3.372 20 0 FGADHM CC(=O)N1CCC(C(=O)Nc2cccc([O-])c2F)(c2ccccc2)CC1 ZINC000372365461 499425234 /nfs/dbraw/zinc/42/52/34/499425234.db2.gz KEWHLYLQEROQCA-UHFFFAOYSA-N -1 3 356.397 3.050 20 0 FGADHM Cc1nc2c(s1)CCC[C@H]2CNC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000372395721 499428583 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CC(=O)c1ccc(C(=O)Nc2cccc3c2OCC[C@@H]3N(C)C)cc1[O-] ZINC000412300892 499842680 /nfs/dbraw/zinc/84/26/80/499842680.db2.gz JQZQSOMUVUBDIE-KRWDZBQOSA-N -1 3 354.406 3.232 20 0 FGADHM COCCCOc1ccc(NC(=O)c2ccc(C(C)=O)c([O-])c2)cc1OC ZINC000412335768 499846015 /nfs/dbraw/zinc/84/60/15/499846015.db2.gz NRYFLHMPEGPPFM-UHFFFAOYSA-N -1 3 373.405 3.271 20 0 FGADHM COc1cc2c(cc1Cl)CN(C(=O)c1ccc(C(C)=O)c([O-])c1)CC2 ZINC000412357753 499848274 /nfs/dbraw/zinc/84/82/74/499848274.db2.gz ALHQXSJIRCIBCN-UHFFFAOYSA-N -1 3 359.809 3.455 20 0 FGADHM CC(C)(C)c1n[n-]c(=NC(=O)N[C@@H](CN)c2ccc3ccccc3c2)s1 ZINC000414975460 499850713 /nfs/dbraw/zinc/85/07/13/499850713.db2.gz ONTKOUIBOKRJSI-HNNXBMFYSA-N -1 3 369.494 3.232 20 0 FGADHM CC[C@@H](c1n[n-]c(=NC(=O)N2CCC[C@H](C)[C@H]2CN)s1)c1ccccc1 ZINC000415166680 499872278 /nfs/dbraw/zinc/87/22/78/499872278.db2.gz NMILHRDKOQZPIC-NUEKZKHPSA-N -1 3 373.526 3.093 20 0 FGADHM COc1cccc(C(=O)N2CCC[C@@H](CCC(=O)OC(C)(C)C)C2)c1[O-] ZINC000412901688 499895080 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CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1ccc2c(c1)C(=O)CC(C)(C)O2 ZINC000421166472 499979407 /nfs/dbraw/zinc/97/94/07/499979407.db2.gz PWUNXPNFZRRKAD-AWEZNQCLSA-N -1 3 369.483 3.233 20 0 FGADHM CC[C@@H](CS(=O)(=O)[N-]c1c(F)ccc(C)c1Br)OC ZINC000421167891 499980431 /nfs/dbraw/zinc/98/04/31/499980431.db2.gz WBNLOGKFAIMRPH-VIFPVBQESA-N -1 3 354.241 3.063 20 0 FGADHM CC[C@@H](CS(=O)(=O)[N-]c1ccc(-c2nc3ccccc3n2C)cc1)OC ZINC000421231679 499997986 /nfs/dbraw/zinc/99/79/86/499997986.db2.gz XLIPTROLUPRFTE-INIZCTEOSA-N -1 3 373.478 3.407 20 0 FGADHM Cn1[n-]c(-c2ccccc2Cl)nc1=NC(=O)c1coc(C2CCCC2)n1 ZINC000579420935 506169506 /nfs/dbraw/zinc/16/95/06/506169506.db2.gz WKNJSDWQWANKCJ-UHFFFAOYSA-N -1 3 371.828 3.455 20 0 FGADHM COC(=O)CC[C@@H](CC1CCCCC1)NC(=O)c1ccc([O-])c(OC)c1 ZINC000416276850 500005035 /nfs/dbraw/zinc/00/50/35/500005035.db2.gz NNNCFGNTSMIHQL-INIZCTEOSA-N -1 3 363.454 3.423 20 0 FGADHM CN(C(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000416283306 500006917 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CC(C)(CO)[C@H]([N-]S(=O)(=O)c1cccc(F)c1F)c1ccccc1 ZINC000429324567 500052432 /nfs/dbraw/zinc/05/24/32/500052432.db2.gz AODOXVJTJBYEAD-MRXNPFEDSA-N -1 3 355.406 3.003 20 0 FGADHM Cc1ccc(C[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)nc1C ZINC000416551018 500060926 /nfs/dbraw/zinc/06/09/26/500060926.db2.gz TVZRTASTHGCGSA-UHFFFAOYSA-N -1 3 362.348 3.335 20 0 FGADHM CO[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)C12CCC2 ZINC000416553082 500061243 /nfs/dbraw/zinc/06/12/43/500061243.db2.gz CIHPWMZLBFWKCN-BDAKNGLRSA-N -1 3 355.403 3.003 20 0 FGADHM COc1ccc(S(=O)(=O)[N-][C@@H](C)c2nccs2)c(Cl)c1Cl ZINC000416575151 500065235 /nfs/dbraw/zinc/06/52/35/500065235.db2.gz AJGCPLLRQHFPCO-ZETCQYMHSA-N -1 3 367.279 3.498 20 0 FGADHM COCC[C@H](C)C[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000416577840 500065633 /nfs/dbraw/zinc/06/56/33/500065633.db2.gz GFZXOHFXRYNIBZ-VIFPVBQESA-N -1 3 370.696 3.053 20 0 FGADHM CO[C@@](C)([C@@H](C)[N-]S(=O)(=O)c1ccccc1C(F)(F)F)C1CC1 ZINC000416607050 500071822 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COc1ccc([O-])c(-c2nc(-c3ccc(N4CCOCC4)c(F)c3)no2)c1 ZINC000436938271 500575207 /nfs/dbraw/zinc/57/52/07/500575207.db2.gz IZWUQOWHXOXNRH-UHFFFAOYSA-N -1 3 371.368 3.094 20 0 FGADHM CO[C@H](CS(=O)(=O)[N-]c1cccc(CCC(F)(F)F)c1)C1CC1 ZINC000573491009 506203780 /nfs/dbraw/zinc/20/37/80/506203780.db2.gz TZXQXPWMPZLNTM-CQSZACIVSA-N -1 3 351.390 3.348 20 0 FGADHM COc1cc(C)cc(-c2nc(-c3ccc4c(c3)CCC(=O)N4)no2)c1[O-] ZINC000436939292 500575490 /nfs/dbraw/zinc/57/54/90/500575490.db2.gz YDRVZGRNTOLWMM-UHFFFAOYSA-N -1 3 351.362 3.311 20 0 FGADHM COc1cccc(N2CCN(C(=O)c3ccc4c(c3[O-])CCCC4)CC2)c1 ZINC000436945912 500575618 /nfs/dbraw/zinc/57/56/18/500575618.db2.gz HFOAIUFRMADREG-UHFFFAOYSA-N -1 3 366.461 3.242 20 0 FGADHM C[C@H]1CN(Cc2ccccc2CNC(=O)c2c([O-])cccc2F)C[C@H](C)O1 ZINC000436947195 500576679 /nfs/dbraw/zinc/57/66/79/500576679.db2.gz UFDFZOPTLVAQAS-GJZGRUSLSA-N -1 3 372.440 3.071 20 0 FGADHM COc1cccc(C(=O)NCCc2ccccc2Br)c1[O-] ZINC000436951282 500577489 /nfs/dbraw/zinc/57/74/89/500577489.db2.gz YMEDJOHFKLPOTD-UHFFFAOYSA-N -1 3 350.212 3.136 20 0 FGADHM CC[C@H]1CC[C@@H](C)N1C(=O)C(=O)[N-]c1scc(C2CC2)c1C(=O)OC ZINC000442272135 500577520 /nfs/dbraw/zinc/57/75/20/500577520.db2.gz NHLFJRABGLHDLV-PWSUYJOCSA-N -1 3 364.467 3.140 20 0 FGADHM COc1cc(C)c(C(=O)Nc2nnc(-c3c(F)cccc3F)[n-]2)cc1OC ZINC000447231611 500579163 /nfs/dbraw/zinc/57/91/63/500579163.db2.gz OIUQALYPVBNCSA-UHFFFAOYSA-N -1 3 374.347 3.328 20 0 FGADHM COc1cc(C)c(C(=O)Nc2nc(-c3c(F)cccc3F)n[n-]2)cc1OC ZINC000447231611 500579165 /nfs/dbraw/zinc/57/91/65/500579165.db2.gz OIUQALYPVBNCSA-UHFFFAOYSA-N -1 3 374.347 3.328 20 0 FGADHM COc1cc(C)c(C(=O)Nc2n[n-]c(-c3c(F)cccc3F)n2)cc1OC ZINC000447231611 500579168 /nfs/dbraw/zinc/57/91/68/500579168.db2.gz OIUQALYPVBNCSA-UHFFFAOYSA-N -1 3 374.347 3.328 20 0 FGADHM O=C(Nc1nnc(-c2ccccn2)[n-]1)c1cn2cc(Cl)cc(Cl)c2n1 ZINC000442295675 500580112 /nfs/dbraw/zinc/58/01/12/500580112.db2.gz ANKYLIDQUGTGGS-UHFFFAOYSA-N -1 3 374.191 3.074 20 0 FGADHM O=C(Nc1nc(-c2ccccn2)n[n-]1)c1cn2cc(Cl)cc(Cl)c2n1 ZINC000442295675 500580114 /nfs/dbraw/zinc/58/01/14/500580114.db2.gz ANKYLIDQUGTGGS-UHFFFAOYSA-N -1 3 374.191 3.074 20 0 FGADHM O=C(Nc1n[n-]c(-c2ccccn2)n1)c1cn2cc(Cl)cc(Cl)c2n1 ZINC000442295675 500580117 /nfs/dbraw/zinc/58/01/17/500580117.db2.gz ANKYLIDQUGTGGS-UHFFFAOYSA-N -1 3 374.191 3.074 20 0 FGADHM CCCCOc1ccc(C(=O)NCc2ccc(C(=O)NCC)cc2)c([O-])c1 ZINC000436971266 500582538 /nfs/dbraw/zinc/58/25/38/500582538.db2.gz JGKSSFKSCQOHSA-UHFFFAOYSA-N -1 3 370.449 3.251 20 0 FGADHM C[C@@H]1CN(Cc2ccc(CNC(=O)c3c([O-])cccc3F)cc2)C[C@H](C)O1 ZINC000436972158 500583791 /nfs/dbraw/zinc/58/37/91/500583791.db2.gz MYUCXVFFEZZYCA-GASCZTMLSA-N -1 3 372.440 3.071 20 0 FGADHM C[C@H](Cc1nc2ccccc2s1)NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000573502461 506205227 /nfs/dbraw/zinc/20/52/27/506205227.db2.gz AOQRGJLTYWVFOS-SNVBAGLBSA-N -1 3 354.435 3.030 20 0 FGADHM CCCCOc1ccc(C(=O)NCc2ccnc(N3CCCC3)c2)c([O-])c1 ZINC000436971272 500583825 /nfs/dbraw/zinc/58/38/25/500583825.db2.gz JIAMSMJAQIYSNR-UHFFFAOYSA-N -1 3 369.465 3.496 20 0 FGADHM CC[C@@H]1CCC[C@H]1NC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000436975389 500584577 /nfs/dbraw/zinc/58/45/77/500584577.db2.gz KBWRTJZFNIJFAN-MLGOLLRUSA-N -1 3 357.410 3.249 20 0 FGADHM CC[C@@H]1CCC[C@@H]1NC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000436975390 500584888 /nfs/dbraw/zinc/58/48/88/500584888.db2.gz KBWRTJZFNIJFAN-WBMJQRKESA-N -1 3 357.410 3.249 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2C[C@@H](C)CC(C)(C)C2)c1 ZINC000436977432 500585554 /nfs/dbraw/zinc/58/55/54/500585554.db2.gz DICBIGDNHCDQDX-LBPRGKRZSA-N -1 3 371.437 3.449 20 0 FGADHM O=C(Nc1ccc(N2CCCC2=O)cn1)c1ccc2c(c1[O-])CCCC2 ZINC000436986492 500587483 /nfs/dbraw/zinc/58/74/83/500587483.db2.gz JUXJTNBUUXPXRZ-UHFFFAOYSA-N -1 3 351.406 3.045 20 0 FGADHM O=C(c1ccccc1[O-])N1CCN(Cc2cc(-c3ccccc3)on2)CC1 ZINC000437003306 500591476 /nfs/dbraw/zinc/59/14/76/500591476.db2.gz UTTLLDRUOUNMLB-UHFFFAOYSA-N -1 3 363.417 3.005 20 0 FGADHM O=C(c1ccc2c(c1[O-])CCCC2)N1CCC(CO)(c2ccccc2)CC1 ZINC000437007547 500592070 /nfs/dbraw/zinc/59/20/70/500592070.db2.gz ZTPVMDLTJDXSNZ-UHFFFAOYSA-N -1 3 365.473 3.437 20 0 FGADHM Cc1nccn1C[C@@H](C)C[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000576646191 506204978 /nfs/dbraw/zinc/20/49/78/506204978.db2.gz ULJCJVSOEBKTTG-JTQLQIEISA-N -1 3 362.282 3.113 20 0 FGADHM CCc1cc(=O)[n-]c(CN2CCN(c3cccc4cnccc43)C[C@H]2C)n1 ZINC000447386178 500598828 /nfs/dbraw/zinc/59/88/28/500598828.db2.gz QBPGEWGYWTVGBC-OAHLLOKOSA-N -1 3 363.465 3.004 20 0 FGADHM Cc1nc(C)c(CC(=O)N(C)[C@@H](Cc2ccc(F)cc2)C(C)C)c(=O)[n-]1 ZINC000437122323 500604702 /nfs/dbraw/zinc/60/47/02/500604702.db2.gz IPOJFTJNKMTGNA-SFHVURJKSA-N -1 3 359.445 3.206 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)c1cn2cc(Cl)cc(Cl)c2n1 ZINC000442649608 500608836 /nfs/dbraw/zinc/60/88/36/500608836.db2.gz NDNUNFQHXSDWAI-UHFFFAOYSA-N -1 3 354.168 3.416 20 0 FGADHM O=S(=O)([N-][C@H](Cc1ccccc1)C1CC1)c1cnccc1C(F)(F)F ZINC000442735579 500617145 /nfs/dbraw/zinc/61/71/45/500617145.db2.gz JORBAAUYKIDSAS-OAHLLOKOSA-N -1 3 370.396 3.400 20 0 FGADHM CC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000442752005 500619477 /nfs/dbraw/zinc/61/94/77/500619477.db2.gz QZRDKYXGQUENFS-ZDUSSCGKSA-N -1 3 358.385 3.400 20 0 FGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@H]1c2ccccc2C[C@@H]1C ZINC000442754859 500620266 /nfs/dbraw/zinc/62/02/66/500620266.db2.gz WWIZLISNYXFWFK-IINYFYTJSA-N -1 3 365.476 3.055 20 0 FGADHM C[C@H](C[N-]S(=O)(=O)c1cnccc1C(F)(F)F)Cc1cccs1 ZINC000442758117 500621174 /nfs/dbraw/zinc/62/11/74/500621174.db2.gz NXVUMFZSBVVPHL-JTQLQIEISA-N -1 3 364.414 3.319 20 0 FGADHM CC(=O)NCc1ccc(S(=O)(=O)[N-]CC[C@H](C)CC(C)(C)C)s1 ZINC000442761019 500621392 /nfs/dbraw/zinc/62/13/92/500621392.db2.gz BDANPTKZYJUOAF-LBPRGKRZSA-N -1 3 360.545 3.125 20 0 FGADHM Cc1nc(C)c(S(=O)(=O)[N-]C[C@@H]2CCC[C@H](C(F)(F)F)C2)s1 ZINC000437312458 500628163 /nfs/dbraw/zinc/62/81/63/500628163.db2.gz YPLJGCIEOJIMKF-MNOVXSKESA-N -1 3 356.435 3.407 20 0 FGADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)C[C@H](C)CC(C)C)c2)[n-]1 ZINC000447680170 500644551 /nfs/dbraw/zinc/64/45/51/500644551.db2.gz NCOBDPIUDLKIFU-CQSZACIVSA-N -1 3 372.469 3.337 20 0 FGADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)C[C@H](C)CC(C)C)c2)n[n-]1 ZINC000447680170 500644553 /nfs/dbraw/zinc/64/45/53/500644553.db2.gz NCOBDPIUDLKIFU-CQSZACIVSA-N -1 3 372.469 3.337 20 0 FGADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)[C@@H](C)C(CC)CC)c2)[n-]1 ZINC000447684487 500645446 /nfs/dbraw/zinc/64/54/46/500645446.db2.gz ZOWVMAUGAWUZJB-ZDUSSCGKSA-N -1 3 372.469 3.337 20 0 FGADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)[C@@H](C)C(CC)CC)c2)n[n-]1 ZINC000447684487 500645447 /nfs/dbraw/zinc/64/54/47/500645447.db2.gz ZOWVMAUGAWUZJB-ZDUSSCGKSA-N -1 3 372.469 3.337 20 0 FGADHM O=C(Nc1ccc(OC(F)(F)F)cc1[O-])c1cc(-n2ccnc2)ccn1 ZINC000442926354 500648497 /nfs/dbraw/zinc/64/84/97/500648497.db2.gz VRHASXMHYZJAJK-UHFFFAOYSA-N -1 3 364.283 3.124 20 0 FGADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]C[C@@H]1CC=CCC1 ZINC000443025038 500665016 /nfs/dbraw/zinc/66/50/16/500665016.db2.gz MAUCIEZLXYJHRM-GFCCVEGCSA-N -1 3 365.476 3.323 20 0 FGADHM COc1cc(C(=O)N[C@H](c2ccccn2)c2ccccc2OC)ccc1[O-] ZINC000443076480 500675088 /nfs/dbraw/zinc/67/50/88/500675088.db2.gz SIEDBGYASBUSSM-FQEVSTJZSA-N -1 3 364.401 3.324 20 0 FGADHM COc1cc(C(=O)N[C@H](c2cccc(F)c2)c2ccccn2)ccc1[O-] ZINC000443075869 500675448 /nfs/dbraw/zinc/67/54/48/500675448.db2.gz RNMRKJQXLOSIKU-LJQANCHMSA-N -1 3 352.365 3.454 20 0 FGADHM COc1cc(C(=O)N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2)ccc1[O-] ZINC000443075891 500675490 /nfs/dbraw/zinc/67/54/90/500675490.db2.gz RRGWUJBFZCCVFY-LBPRGKRZSA-N -1 3 364.804 3.202 20 0 FGADHM Cn1cnc(S(=O)(=O)[N-][C@H](c2cccc(Cl)c2)C2CCCC2)c1 ZINC000433440997 500693959 /nfs/dbraw/zinc/69/39/59/500693959.db2.gz VNWWYUCQFBNKEI-INIZCTEOSA-N -1 3 353.875 3.283 20 0 FGADHM Cc1cc(NC(=O)c2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)cc(C)c1Cl ZINC000443192654 500694699 /nfs/dbraw/zinc/69/46/99/500694699.db2.gz SWRULBKGIZUGBV-LJQANCHMSA-N -1 3 371.824 3.264 20 0 FGADHM CC1(CS(=O)(=O)[N-]Cc2noc(-c3ccccc3F)n2)CCCCC1 ZINC000433448773 500696319 /nfs/dbraw/zinc/69/63/19/500696319.db2.gz CANQCJXDIWZETO-UHFFFAOYSA-N -1 3 367.446 3.266 20 0 FGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]2CCC[C@H](O)C2)c1Cl ZINC000443229930 500699044 /nfs/dbraw/zinc/69/90/44/500699044.db2.gz CLBHUPMEPAVDOB-MNOVXSKESA-N -1 3 352.283 3.131 20 0 FGADHM O=S(=O)([N-][C@@H](CO)c1cccc(F)c1)c1cc(Cl)cc(Cl)c1 ZINC000443264252 500701741 /nfs/dbraw/zinc/70/17/41/500701741.db2.gz QGSOQUNGDCAYRF-AWEZNQCLSA-N -1 3 364.225 3.144 20 0 FGADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]CCCc1ccc(O)cc1 ZINC000443269334 500702199 /nfs/dbraw/zinc/70/21/99/500702199.db2.gz LOPFNKIQSUMUQR-UHFFFAOYSA-N -1 3 363.410 3.497 20 0 FGADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H](CO)c1ccc(F)cc1 ZINC000443279586 500703218 /nfs/dbraw/zinc/70/32/18/500703218.db2.gz GKZGIZAVJRWNDK-OAHLLOKOSA-N -1 3 367.373 3.031 20 0 FGADHM O=C(Nc1n[n-]c(-c2ccccc2F)n1)C1(Oc2ccccc2F)CC1 ZINC000443305312 500707015 /nfs/dbraw/zinc/70/70/15/500707015.db2.gz LEYRTYSKCNGOCX-UHFFFAOYSA-N -1 3 356.332 3.300 20 0 FGADHM CC[C@H](C)[C@](C)(O)C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000443305778 500707033 /nfs/dbraw/zinc/70/70/33/500707033.db2.gz WPGSAERUCSCUTJ-TVQRCGJNSA-N -1 3 373.824 3.434 20 0 FGADHM CC[C@H](C[C@@H](C)CO)[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000443316550 500708796 /nfs/dbraw/zinc/70/87/96/500708796.db2.gz WFZMOJACOWYVPL-MWLCHTKSSA-N -1 3 354.299 3.377 20 0 FGADHM CC1=CCCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)C1 ZINC000437940137 500719576 /nfs/dbraw/zinc/71/95/76/500719576.db2.gz LKRVNKGAXVXKLH-UHFFFAOYSA-N -1 3 374.437 3.419 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)N[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000437945542 500719785 /nfs/dbraw/zinc/71/97/85/500719785.db2.gz FKLIAGWFRPYSAU-IINYFYTJSA-N -1 3 354.303 3.304 20 0 FGADHM Cc1nc(C)c(CC(=O)N[C@H](C)c2ccc(Br)s2)c(=O)[n-]1 ZINC000443407782 500720173 /nfs/dbraw/zinc/72/01/73/500720173.db2.gz QVHDLNHDUFRRHM-MRVPVSSYSA-N -1 3 370.272 3.043 20 0 FGADHM Cc1ncc(CNC(=O)NC[C@H](C)c2ccc(C(F)(F)F)cc2)c(=O)[n-]1 ZINC000443472828 500728484 /nfs/dbraw/zinc/72/84/84/500728484.db2.gz DZBFUTMFRTXYGR-JTQLQIEISA-N -1 3 368.359 3.112 20 0 FGADHM CO[C@H](C[N-]S(=O)(=O)c1sc(C)nc1C)c1cccc(Cl)c1 ZINC000433687041 500729701 /nfs/dbraw/zinc/72/97/01/500729701.db2.gz WTKWMDCEBDBKOW-CYBMUJFWSA-N -1 3 360.888 3.079 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)[C@@H](O)Cc1ccccc1 ZINC000443492704 500730206 /nfs/dbraw/zinc/73/02/06/500730206.db2.gz UWZWHAUKMBNVPM-ZBEGNZNMSA-N -1 3 374.289 3.264 20 0 FGADHM CCN(CC)C(=O)CCCC(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000443558102 500737768 /nfs/dbraw/zinc/73/77/68/500737768.db2.gz KNFZHWJHODFGGT-UHFFFAOYSA-N -1 3 362.348 3.268 20 0 FGADHM C[S@](=O)Cc1cccc(C(=O)Nc2ccc(OC(F)(F)F)cc2[O-])c1 ZINC000443561103 500738392 /nfs/dbraw/zinc/73/83/92/500738392.db2.gz RSVUJANNPQEAHO-VWLOTQADSA-N -1 3 373.352 3.422 20 0 FGADHM COc1ccc([C@H](C)CC[N-]S(=O)(=O)c2sc(C)nc2C)cc1 ZINC000433836234 500752538 /nfs/dbraw/zinc/75/25/38/500752538.db2.gz MVUCUUMMFBHNMF-LLVKDONJSA-N -1 3 354.497 3.241 20 0 FGADHM CCN=c1[n-]c(C(=O)N[C@H](C)c2ccc(Br)s2)cs1 ZINC000443797592 500764908 /nfs/dbraw/zinc/76/49/08/500764908.db2.gz LMSSZSAOZYDHTR-SSDOTTSWSA-N -1 3 360.302 3.312 20 0 FGADHM COc1cc(F)c(C(=O)[N-]c2cc(-c3ccccc3F)on2)cc1OC ZINC000448493536 500765399 /nfs/dbraw/zinc/76/53/99/500765399.db2.gz XCLKKUMBQRQQSA-UHFFFAOYSA-N -1 3 360.316 3.311 20 0 FGADHM CC[C@H](C)[C@@H]([N-]S(=O)(=O)c1ccc2c(c1)C[C@H](C)O2)C(F)(F)F ZINC000443936059 500780580 /nfs/dbraw/zinc/78/05/80/500780580.db2.gz NQDYEIDVJWXKEI-PKFCDNJMSA-N -1 3 351.390 3.265 20 0 FGADHM CCCCOc1ncccc1C[N-]S(=O)(=O)c1ccccc1SC ZINC000444063921 500798742 /nfs/dbraw/zinc/79/87/42/500798742.db2.gz IHNCZMQBXUEPPR-UHFFFAOYSA-N -1 3 366.508 3.461 20 0 FGADHM COC(C)(C)C[C@H](C)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC000444077764 500799857 /nfs/dbraw/zinc/79/98/57/500799857.db2.gz XRJTVTIINOSEIF-VIFPVBQESA-N -1 3 357.369 3.326 20 0 FGADHM CSc1nnc(NC(=O)c2ccc(Br)c(Cl)c2F)[n-]1 ZINC000444145935 500810207 /nfs/dbraw/zinc/81/02/07/500810207.db2.gz XGEJWTMYZVQWMX-UHFFFAOYSA-N -1 3 365.615 3.334 20 0 FGADHM CSc1n[n-]c(NC(=O)c2ccc(Br)c(Cl)c2F)n1 ZINC000444145935 500810210 /nfs/dbraw/zinc/81/02/10/500810210.db2.gz XGEJWTMYZVQWMX-UHFFFAOYSA-N -1 3 365.615 3.334 20 0 FGADHM COCCC(C)(C)C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC000444212917 500818330 /nfs/dbraw/zinc/81/83/30/500818330.db2.gz ODGRTJQSUVJBRW-UHFFFAOYSA-N -1 3 357.369 3.186 20 0 FGADHM COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CC[C@H](C)C1 ZINC000444223414 500819316 /nfs/dbraw/zinc/81/93/16/500819316.db2.gz NAJGUDUYJARKQU-JSGCOSHPSA-N -1 3 361.891 3.222 20 0 FGADHM CCOC(=O)c1cc(C(=O)[N-]c2ccccc2-c2n[nH]c(C(C)C)n2)on1 ZINC000448771769 500829740 /nfs/dbraw/zinc/82/97/40/500829740.db2.gz OSLQMSRVTLRVGN-UHFFFAOYSA-N -1 3 369.381 3.012 20 0 FGADHM CC(C)(C)c1ccc(C(=O)C[N-]S(=O)(=O)c2cncc(Cl)c2)cc1 ZINC000444291770 500829970 /nfs/dbraw/zinc/82/99/70/500829970.db2.gz VXVPFTSDYFQGRM-UHFFFAOYSA-N -1 3 366.870 3.194 20 0 FGADHM C[C@]1(CCCO)CCCN1C(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000444298908 500831298 /nfs/dbraw/zinc/83/12/98/500831298.db2.gz QNMJFJRJBOWBJB-JOCHJYFZSA-N -1 3 367.445 3.390 20 0 FGADHM CCOC(=O)CC[C@H](C)NC(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000444299026 500831905 /nfs/dbraw/zinc/83/19/05/500831905.db2.gz QYKHUBGNVSGQGV-AWEZNQCLSA-N -1 3 369.417 3.085 20 0 FGADHM CC(C)N(CC(F)F)C(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000444344419 500836972 /nfs/dbraw/zinc/83/69/72/500836972.db2.gz SJGHCNXXXGQGHC-UHFFFAOYSA-N -1 3 373.197 3.406 20 0 FGADHM CC(C)N(CC(F)F)C(=O)c1cnc2ccc(Br)cc2c1[O-] ZINC000444344419 500836974 /nfs/dbraw/zinc/83/69/74/500836974.db2.gz SJGHCNXXXGQGHC-UHFFFAOYSA-N -1 3 373.197 3.406 20 0 FGADHM CCc1nc(-c2ccc(Cl)cc2)[nH]c1C(=O)NCc1cnc(C)[n-]c1=O ZINC000444359579 500839322 /nfs/dbraw/zinc/83/93/22/500839322.db2.gz CEHNGZYEIXGUQO-UHFFFAOYSA-N -1 3 371.828 3.027 20 0 FGADHM CCOC(=O)[C@H]1CCCCN1C(=O)CCc1ccc2ccccc2c1[O-] ZINC000448832207 500846847 /nfs/dbraw/zinc/84/68/47/500846847.db2.gz VOPYIXYRDQABMU-GOSISDBHSA-N -1 3 355.434 3.422 20 0 FGADHM Cc1ccc(C(=O)N[C@H](CC(C)C)C(=O)Nc2nccs2)c([O-])c1C ZINC000439055733 500851587 /nfs/dbraw/zinc/85/15/87/500851587.db2.gz IBCCYPFNYZVWIO-CQSZACIVSA-N -1 3 361.467 3.249 20 0 FGADHM COc1ccc2c(c1)[n-]cc(C(=O)N(C)Cc1cc(F)cc(F)c1)c2=O ZINC000434514563 500855279 /nfs/dbraw/zinc/85/52/79/500855279.db2.gz RKUYSFBBONRGFW-UHFFFAOYSA-N -1 3 358.344 3.087 20 0 FGADHM COC(=O)[C@@H](C)CN(C(=O)CCc1ccc2ccccc2c1[O-])C1CC1 ZINC000448869507 500856702 /nfs/dbraw/zinc/85/67/02/500856702.db2.gz AMYJMZCLGGQLQV-AWEZNQCLSA-N -1 3 355.434 3.278 20 0 FGADHM COc1ccc(Cl)c(S(=O)(=O)[N-][C@H](C)c2ccc(Cl)cn2)c1 ZINC000439189376 500867953 /nfs/dbraw/zinc/86/79/53/500867953.db2.gz OEVCGCMUJOJHFT-SECBINFHSA-N -1 3 361.250 3.437 20 0 FGADHM COc1cc(C)c(NC(=O)CCNC(=O)c2ccc(C)cc2[O-])cc1C ZINC000444619828 500868257 /nfs/dbraw/zinc/86/82/57/500868257.db2.gz ZVKKPFNVZIMSQN-UHFFFAOYSA-N -1 3 356.422 3.085 20 0 FGADHM COc1cc(C)cc(C(=O)Nc2ccc(Nc3ncccn3)cc2)c1[O-] ZINC000444631853 500870112 /nfs/dbraw/zinc/87/01/12/500870112.db2.gz XAIHVQZUVJMPBO-UHFFFAOYSA-N -1 3 350.378 3.495 20 0 FGADHM O=S(=O)([N-][C@H]1C[C@H]1c1cccc(Br)c1)c1ccccc1F ZINC000588175545 506221477 /nfs/dbraw/zinc/22/14/77/506221477.db2.gz UAXLUDDBSNYMIP-JSGCOSHPSA-N -1 3 370.243 3.423 20 0 FGADHM Cc1nc(C[N-]S(=O)(=O)c2ccc(C(=O)C(C)C)cc2)sc1C ZINC000439223776 500871818 /nfs/dbraw/zinc/87/18/18/500871818.db2.gz IXROYOJWBMSZMS-UHFFFAOYSA-N -1 3 352.481 3.077 20 0 FGADHM COc1ccc(Cl)cc1CS(=O)(=O)[N-]Cc1nc(C)c(C)s1 ZINC000439239543 500873431 /nfs/dbraw/zinc/87/34/31/500873431.db2.gz ZRSVUUCJEAWQCV-UHFFFAOYSA-N -1 3 360.888 3.042 20 0 FGADHM CCOC(=O)c1sc2[n-]c([C@H](C)S[C@H](C)C(C)=O)nc(=O)c2c1C ZINC000434839184 500900105 /nfs/dbraw/zinc/90/01/05/500900105.db2.gz NSGBXRCIWZAHEI-ZJUUUORDSA-N -1 3 368.480 3.241 20 0 FGADHM CCC1(C[N-]S(=O)(=O)c2cc(F)ccc2Br)CCC1 ZINC000435210468 500944019 /nfs/dbraw/zinc/94/40/19/500944019.db2.gz IZHURGPZUPJRGV-UHFFFAOYSA-N -1 3 350.253 3.447 20 0 FGADHM CC(C)Cn1cnc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2cccc(Cl)c2)c1 ZINC000435420241 500971010 /nfs/dbraw/zinc/97/10/10/500971010.db2.gz BLCKXLRDVSEJHV-LSDHHAIUSA-N -1 3 353.875 3.027 20 0 FGADHM CC(C)N1CCC[C@H]([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)C1 ZINC000435424953 500971641 /nfs/dbraw/zinc/97/16/41/500971641.db2.gz XNMJZMQFSAPJQN-NSHDSACASA-N -1 3 369.289 3.284 20 0 FGADHM Cc1nc([N-]C(=O)COc2ccc3ccccc3c2)n(-c2ccccc2)n1 ZINC000440133538 500979168 /nfs/dbraw/zinc/97/91/68/500979168.db2.gz KYNVLFSJCBCJQI-UHFFFAOYSA-N -1 3 358.401 3.168 20 0 FGADHM CCc1ncc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccc(Cl)c(F)c2)s1 ZINC000435585401 500996204 /nfs/dbraw/zinc/99/62/04/500996204.db2.gz UEAXLVUDZPUGIH-JOYOIKCWSA-N -1 3 360.863 3.332 20 0 FGADHM Cc1cc(S(=O)(=O)[N-][C@H](C)c2ccc3c(c2)OCO3)c(F)cc1F ZINC000440383528 501002545 /nfs/dbraw/zinc/00/25/45/501002545.db2.gz PCKDFUCOJZJLRB-SNVBAGLBSA-N -1 3 355.362 3.041 20 0 FGADHM CCCS(=O)(=O)[N-]c1cc(NC(=O)c2[nH]ccc2C)c(F)cc1F ZINC000435688673 501011986 /nfs/dbraw/zinc/01/19/86/501011986.db2.gz RPFCDKLZGSLARL-UHFFFAOYSA-N -1 3 357.382 3.005 20 0 FGADHM CCOC(=O)c1cc(NC(=O)c2c[n-]nc2-c2ccc(Cl)cc2)cn1C ZINC000440488868 501014557 /nfs/dbraw/zinc/01/45/57/501014557.db2.gz OQSSKJWWMGMJLA-UHFFFAOYSA-N -1 3 372.812 3.498 20 0 FGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]CC1(N(C)C)CCC1 ZINC000445743922 501027056 /nfs/dbraw/zinc/02/70/56/501027056.db2.gz NUMSWZFAWFARQR-UHFFFAOYSA-N -1 3 356.875 3.157 20 0 FGADHM COc1ccc(CN(C)[C@H](CO)CC(C)(C)C)c(Br)c1[O-] ZINC000449592507 501039731 /nfs/dbraw/zinc/03/97/31/501039731.db2.gz YPBPEIRYWHOHMP-LBPRGKRZSA-N -1 3 360.292 3.392 20 0 FGADHM Cn1nc(-c2ccccc2)nc1Cc1noc(/C=C/c2cccc([O-])c2)n1 ZINC000435956177 501051179 /nfs/dbraw/zinc/05/11/79/501051179.db2.gz GHXQTRGKZCXQGZ-ZHACJKMWSA-N -1 3 359.389 3.332 20 0 FGADHM CC(C)(C)O[C@@H]1C[C@H](NCc2c(F)ccc([O-])c2F)[C@@H]1n1cccn1 ZINC000449656756 501051818 /nfs/dbraw/zinc/05/18/18/501051818.db2.gz MESQUENYPIRVQV-LXZKKBNFSA-N -1 3 351.397 3.154 20 0 FGADHM CO[C@@H]1CCN(C(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)[C@@H](C)C1 ZINC000440931056 501065301 /nfs/dbraw/zinc/06/53/01/501065301.db2.gz IUQVIRGHMVLZBS-BLLLJJGKSA-N -1 3 356.426 3.189 20 0 FGADHM CCOc1ccc(S(=O)(=O)[N-]c2c(F)cccc2C(=O)OC)c(C)c1 ZINC000436158605 501080362 /nfs/dbraw/zinc/08/03/62/501080362.db2.gz WQTJKMCTBIPRQI-UHFFFAOYSA-N -1 3 367.398 3.120 20 0 FGADHM CCCOc1ccc(S(=O)(=O)[N-]c2c(F)cccc2C(=O)OC)cc1 ZINC000436161420 501081632 /nfs/dbraw/zinc/08/16/32/501081632.db2.gz ORHVIQOPCPBWDE-UHFFFAOYSA-N -1 3 367.398 3.202 20 0 FGADHM CCOc1nc2cc(C(=O)N(C)Cc3cc(OC)cc(OC)c3)ccc2[n-]1 ZINC000449801891 501090511 /nfs/dbraw/zinc/09/05/11/501090511.db2.gz JBBICWUJERSBLT-UHFFFAOYSA-N -1 3 369.421 3.251 20 0 FGADHM CCOc1nc2ccc(C(=O)N(C)Cc3cc(OC)cc(OC)c3)cc2[n-]1 ZINC000449801891 501090514 /nfs/dbraw/zinc/09/05/14/501090514.db2.gz JBBICWUJERSBLT-UHFFFAOYSA-N -1 3 369.421 3.251 20 0 FGADHM CCOC(=O)c1csc(=NC[C@H]2CCCN(C)[C@H]2c2cccs2)[n-]1 ZINC000450349277 501097331 /nfs/dbraw/zinc/09/73/31/501097331.db2.gz NWMCLLBLFFRBGL-IUODEOHRSA-N -1 3 365.524 3.298 20 0 FGADHM CC[C@H](c1nnc([N-]C(=O)c2cn(CC3CC3)nn2)s1)c1ccccc1 ZINC000449850072 501106782 /nfs/dbraw/zinc/10/67/82/501106782.db2.gz QFXRACQVROGGPK-AWEZNQCLSA-N -1 3 368.466 3.334 20 0 FGADHM COc1cc(F)c([C@@H](C)NC(=O)Cc2ccc([O-])c(F)c2)cc1OC ZINC000449866502 501111835 /nfs/dbraw/zinc/11/18/35/501111835.db2.gz YILUDPPOTANKAI-SNVBAGLBSA-N -1 3 351.349 3.108 20 0 FGADHM O=S(=O)([N-]CCNC/C=C\c1ccccc1)c1ccc(Cl)cc1F ZINC000441352274 501125996 /nfs/dbraw/zinc/12/59/96/501125996.db2.gz KPFHKXWUHAJSSN-DAXSKMNVSA-N -1 3 368.861 3.060 20 0 FGADHM O=C(N[C@@H]1CCOc2c(Br)cccc21)c1ccc(O)cc1[O-] ZINC000436482419 501136382 /nfs/dbraw/zinc/13/63/82/501136382.db2.gz ABROYPCJQOOJLG-CYBMUJFWSA-N -1 3 364.195 3.114 20 0 FGADHM O=C(NCC[C@H](O)C(F)(F)F)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436495702 501139425 /nfs/dbraw/zinc/13/94/25/501139425.db2.gz OIMMQWCBTCUJQC-INIZCTEOSA-N -1 3 369.339 3.014 20 0 FGADHM COC(=O)c1ccc(C(=O)[N-]c2sc3c(c2C(=O)C2CC2)CCC3)o1 ZINC000446613910 501141871 /nfs/dbraw/zinc/14/18/71/501141871.db2.gz XNOHQQDVQVSJQH-UHFFFAOYSA-N -1 3 359.403 3.461 20 0 FGADHM CCOc1nc2ccc(C(=O)N=c3cc(C)n([C@H](C)C4CC4)[nH]3)cc2[n-]1 ZINC000450543257 501150169 /nfs/dbraw/zinc/15/01/69/501150169.db2.gz JMXGTSXVFYZAKF-GFCCVEGCSA-N -1 3 353.426 3.112 20 0 FGADHM CCOc1nc2cc(C(=O)N=c3cc(C)n([C@H](C)C4CC4)[nH]3)ccc2[n-]1 ZINC000450543257 501150173 /nfs/dbraw/zinc/15/01/73/501150173.db2.gz JMXGTSXVFYZAKF-GFCCVEGCSA-N -1 3 353.426 3.112 20 0 FGADHM COc1ccccc1N1CC[C@@H](CNC(=O)c2ccc(C)c(C)c2[O-])C1 ZINC000436542012 501151549 /nfs/dbraw/zinc/15/15/49/501151549.db2.gz BQJHATCABVJPNF-INIZCTEOSA-N -1 3 354.450 3.274 20 0 FGADHM CC(C)NC(=O)[C@@H]1CCC[C@H](NC(=O)c2cc3c(cc2[O-])CCCC3)C1 ZINC000436544820 501152710 /nfs/dbraw/zinc/15/27/10/501152710.db2.gz KWSLCHWXTRYOKG-SJORKVTESA-N -1 3 358.482 3.084 20 0 FGADHM CCc1ccc2c(c1)[C@H](CCNC(=O)c1ccc(C)c(C)c1[O-])C(=O)N2 ZINC000436548096 501153655 /nfs/dbraw/zinc/15/36/55/501153655.db2.gz RURCERWRNCJXEZ-HNNXBMFYSA-N -1 3 352.434 3.427 20 0 FGADHM CCOC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)c1ccc(C)c(C)c1[O-] ZINC000436553115 501155385 /nfs/dbraw/zinc/15/53/85/501155385.db2.gz GPJMKGGGWJTZIG-GOSISDBHSA-N -1 3 355.434 3.255 20 0 FGADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCN(CC2CC2)CC1 ZINC000436567237 501158571 /nfs/dbraw/zinc/15/85/71/501158571.db2.gz ZMVZXVITHBRPIG-UHFFFAOYSA-N -1 3 352.434 3.352 20 0 FGADHM Cc1ccc(C(=O)NCc2ccccc2CN2C[C@@H](C)O[C@@H](C)C2)c([O-])c1 ZINC000436571543 501159778 /nfs/dbraw/zinc/15/97/78/501159778.db2.gz WBDAJRKOETZNCN-CALCHBBNSA-N -1 3 368.477 3.240 20 0 FGADHM Cc1ccc(NS(C)(=O)=O)c(NC(=O)c2cc3c(cc2[O-])CCCC3)c1 ZINC000436587023 501163750 /nfs/dbraw/zinc/16/37/50/501163750.db2.gz DANSXUOOQNGSBA-UHFFFAOYSA-N -1 3 374.462 3.203 20 0 FGADHM Cc1cc(NC(=O)c2cc3c(cc2[O-])CCCC3)n(Cc2ccccn2)n1 ZINC000436590856 501164628 /nfs/dbraw/zinc/16/46/28/501164628.db2.gz ZWYTXXBONXRHPV-UHFFFAOYSA-N -1 3 362.433 3.472 20 0 FGADHM Cc1ccc(NC(=O)N2CCN(C(=O)c3ccc(C)c(C)c3[O-])CC2)cc1 ZINC000436592066 501164771 /nfs/dbraw/zinc/16/47/71/501164771.db2.gz ZHJMYYHSRIXQOT-UHFFFAOYSA-N -1 3 367.449 3.307 20 0 FGADHM O=S(=O)(Cc1ccc(Cl)cc1Cl)[N-]c1ccnc2ccncc12 ZINC000446795274 501165903 /nfs/dbraw/zinc/16/59/03/501165903.db2.gz WAHWRULBXULHJF-UHFFFAOYSA-N -1 3 368.245 3.300 20 0 FGADHM CN(C)c1ccc(CNC(=O)c2cc(Cc3ccccc3)ccc2[O-])cn1 ZINC000436605971 501168101 /nfs/dbraw/zinc/16/81/01/501168101.db2.gz CRSDQRFFZVDRNI-UHFFFAOYSA-N -1 3 361.445 3.374 20 0 FGADHM O=C(NCCCCC1CCCC1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436619066 501170610 /nfs/dbraw/zinc/17/06/10/501170610.db2.gz NWKVYUIRLXETBY-GOSISDBHSA-N -1 3 358.482 3.474 20 0 FGADHM C[C@@H](CNC(=O)c1ccc(O)cc1[O-])Oc1ccc(Br)cc1 ZINC000436619078 501171243 /nfs/dbraw/zinc/17/12/43/501171243.db2.gz NXLOPVCEXWMZSL-JTQLQIEISA-N -1 3 366.211 3.058 20 0 FGADHM Cc1cccc([C@@H](C)NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])c1C ZINC000436626216 501172650 /nfs/dbraw/zinc/17/26/50/501172650.db2.gz ONLCXKYNZWEWLI-VQIMIIECSA-N -1 3 366.461 3.491 20 0 FGADHM CCOc1nc2cc(C(=O)NCc3csc([C@H](C)OC)n3)ccc2[n-]1 ZINC000450076507 501173498 /nfs/dbraw/zinc/17/34/98/501173498.db2.gz KNKGENPBTTUGKI-JTQLQIEISA-N -1 3 360.439 3.056 20 0 FGADHM CCOc1nc2ccc(C(=O)NCc3csc([C@H](C)OC)n3)cc2[n-]1 ZINC000450076507 501173501 /nfs/dbraw/zinc/17/35/01/501173501.db2.gz KNKGENPBTTUGKI-JTQLQIEISA-N -1 3 360.439 3.056 20 0 FGADHM O=C(N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1)c1ccccc1[O-] ZINC000436643800 501177461 /nfs/dbraw/zinc/17/74/61/501177461.db2.gz GJYIWPLVIXAKDQ-GFCCVEGCSA-N -1 3 366.339 3.300 20 0 FGADHM CCCOc1ccc(CNC(=O)c2c([O-])cccc2O)c(OC(F)F)c1 ZINC000436649699 501178699 /nfs/dbraw/zinc/17/86/99/501178699.db2.gz WQMGLCMAHFDLEH-UHFFFAOYSA-N -1 3 367.348 3.418 20 0 FGADHM CC(C)[C@H](NC(=O)c1cc(Cc2ccccc2)ccc1[O-])c1ncon1 ZINC000436650948 501180086 /nfs/dbraw/zinc/18/00/86/501180086.db2.gz SUDKSQLACQVBJL-SFHVURJKSA-N -1 3 351.406 3.493 20 0 FGADHM C[C@@H]1CCCC[C@@H]1CCNC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436670455 501183897 /nfs/dbraw/zinc/18/38/97/501183897.db2.gz FZHMYTZZQPTRPZ-IAGOWNOFSA-N -1 3 373.497 3.076 20 0 FGADHM CCOC(=O)c1cc(S(=O)(=O)[N-]c2c(Cl)ccc(C)c2C)cn1C ZINC000446946158 501185067 /nfs/dbraw/zinc/18/50/67/501185067.db2.gz NYTWOWWLMQKUBY-UHFFFAOYSA-N -1 3 370.858 3.273 20 0 FGADHM CCOc1nc2cc(C(=O)N[C@H](c3cnn(C)c3)C(C)(C)C)ccc2[n-]1 ZINC000450116500 501185389 /nfs/dbraw/zinc/18/53/89/501185389.db2.gz GVDIQNYHBBRWKS-MRXNPFEDSA-N -1 3 355.442 3.212 20 0 FGADHM CCOc1nc2ccc(C(=O)N[C@H](c3cnn(C)c3)C(C)(C)C)cc2[n-]1 ZINC000450116500 501185393 /nfs/dbraw/zinc/18/53/93/501185393.db2.gz GVDIQNYHBBRWKS-MRXNPFEDSA-N -1 3 355.442 3.212 20 0 FGADHM O=C(c1cc2sccc2s1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436677980 501185956 /nfs/dbraw/zinc/18/59/56/501185956.db2.gz ABRUPHPQDPEAAZ-UHFFFAOYSA-N -1 3 372.471 3.267 20 0 FGADHM CN(C[C@H]1OCCc2ccccc21)C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436682462 501186840 /nfs/dbraw/zinc/18/68/40/501186840.db2.gz QESWLDBLZUTQDD-GOSISDBHSA-N -1 3 367.445 3.492 20 0 FGADHM Cc1ccccc1C1(C(=O)NCCNC(=O)c2ccc([O-])cc2)CCCC1 ZINC000436706034 501193389 /nfs/dbraw/zinc/19/33/89/501193389.db2.gz QONCMASYSVWCNR-UHFFFAOYSA-N -1 3 366.461 3.059 20 0 FGADHM NC(=O)c1cccc(CCNC(=O)c2cc(Cc3ccccc3)ccc2[O-])c1 ZINC000436722965 501197188 /nfs/dbraw/zinc/19/71/88/501197188.db2.gz KLVWFRQOQOYVSF-UHFFFAOYSA-N -1 3 374.440 3.054 20 0 FGADHM O=C(N[C@@H](CCO)c1ccccc1Br)c1ccccc1[O-] ZINC000436726488 501198223 /nfs/dbraw/zinc/19/82/23/501198223.db2.gz YEXBTNOPWWLZBZ-AWEZNQCLSA-N -1 3 350.212 3.008 20 0 FGADHM Cc1ccsc1CNC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000436729839 501198989 /nfs/dbraw/zinc/19/89/89/501198989.db2.gz TWNVWOGENPOGIV-UHFFFAOYSA-N -1 3 371.418 3.241 20 0 FGADHM CCc1ccc(C(=O)N[C@@H](C)c2ccc(S(=O)(=O)CC)cc2)c([O-])c1 ZINC000436737815 501201685 /nfs/dbraw/zinc/20/16/85/501201685.db2.gz RLGFBVNKZUILPB-ZDUSSCGKSA-N -1 3 361.463 3.239 20 0 FGADHM CCN(CC)C(=O)c1cccc(NC(=O)c2cc(OC)c([O-])c(OC)c2)c1 ZINC000436749325 501204328 /nfs/dbraw/zinc/20/43/28/501204328.db2.gz JOHDTUAZUBSWPF-UHFFFAOYSA-N -1 3 372.421 3.144 20 0 FGADHM COCCN(Cc1ccccc1)C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436756070 501204842 /nfs/dbraw/zinc/20/48/42/501204842.db2.gz OTKYLEAUDXSMIK-UHFFFAOYSA-N -1 3 355.434 3.395 20 0 FGADHM CSCC[C@@H](NC(=O)c1ccc(C)c(C)c1[O-])c1nnc2ccccn21 ZINC000436758472 501205910 /nfs/dbraw/zinc/20/59/10/501205910.db2.gz YHJXOMDWMZIJBZ-OAHLLOKOSA-N -1 3 370.478 3.276 20 0 FGADHM O=C(CCc1nc(-c2ccc([O-])cc2)no1)N1CCC(c2ccccc2)=N1 ZINC000436767087 501207547 /nfs/dbraw/zinc/20/75/47/501207547.db2.gz FBHLJCOXUNGCAV-UHFFFAOYSA-N -1 3 362.389 3.011 20 0 FGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]CCc2ccc(F)cc2C)c1 ZINC000447141069 501209059 /nfs/dbraw/zinc/20/90/59/501209059.db2.gz YTHDBTQBFYYPQF-UHFFFAOYSA-N -1 3 357.834 3.317 20 0 FGADHM CCOC(=O)[C@@H](CCOC)NC(=O)c1cc(C(C)C)cc(C(C)C)c1[O-] ZINC000436783671 501210612 /nfs/dbraw/zinc/21/06/12/501210612.db2.gz STPFMONJVPHXRZ-QGZVFWFLSA-N -1 3 365.470 3.337 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCc3c(F)cc(F)cc3[C@H]2C)c1 ZINC000436787672 501211251 /nfs/dbraw/zinc/21/12/51/501211251.db2.gz PRFSUKUZTJIZOY-SNVBAGLBSA-N -1 3 360.360 3.388 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](C)[C@H]2Oc3ccccc3[C@H]2C)c1 ZINC000436786087 501211728 /nfs/dbraw/zinc/21/17/28/501211728.db2.gz BRCFDBDDPXKZLP-CLUVUEOHSA-N -1 3 354.406 3.034 20 0 FGADHM Cc1ccc(C(=O)NCc2ccnc(OCC(F)(F)F)c2)c([O-])c1C ZINC000436792664 501212690 /nfs/dbraw/zinc/21/26/90/501212690.db2.gz OPSDFYZTJRPNIF-UHFFFAOYSA-N -1 3 354.328 3.275 20 0 FGADHM CCc1ccc(C(=O)NCC2(c3ccc(OC)cc3)CCOCC2)c([O-])c1 ZINC000436804908 501214031 /nfs/dbraw/zinc/21/40/31/501214031.db2.gz BVMCRNIGNWMSPJ-UHFFFAOYSA-N -1 3 369.461 3.441 20 0 FGADHM Cc1c(C(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)ccn1C(C)C ZINC000436806565 501214384 /nfs/dbraw/zinc/21/43/84/501214384.db2.gz GMENGSOKELBCIZ-UHFFFAOYSA-N -1 3 369.465 3.118 20 0 FGADHM CCc1ccc(C(=O)NCc2ccc(Cn3ccccc3=O)cc2)c([O-])c1 ZINC000436811284 501215070 /nfs/dbraw/zinc/21/50/70/501215070.db2.gz IZEFMMLICQSNHB-UHFFFAOYSA-N -1 3 362.429 3.095 20 0 FGADHM Cc1cscc1CNC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000436818674 501216239 /nfs/dbraw/zinc/21/62/39/501216239.db2.gz LNVIRCYCIYZHJL-UHFFFAOYSA-N -1 3 371.418 3.241 20 0 FGADHM CC1(C)Cc2ccc(C(=O)N3CCOc4ccc(F)cc4C3)c([O-])c2O1 ZINC000436834112 501218500 /nfs/dbraw/zinc/21/85/00/501218500.db2.gz YFMWQZJQZCONII-UHFFFAOYSA-N -1 3 357.381 3.280 20 0 FGADHM CC(C)[C@@H](NC(=O)c1cc(Cc2ccccc2)ccc1[O-])c1nncn1C ZINC000436848263 501220416 /nfs/dbraw/zinc/22/04/16/501220416.db2.gz NXAXXHNQOFQJOS-LJQANCHMSA-N -1 3 364.449 3.239 20 0 FGADHM CCOc1cc(-c2noc(-c3cnnn3Cc3ccccc3)n2)ccc1[O-] ZINC000436872234 501224816 /nfs/dbraw/zinc/22/48/16/501224816.db2.gz LVSFPRMICWPYRI-UHFFFAOYSA-N -1 3 363.377 3.148 20 0 FGADHM COc1ccnc(CNC(=O)c2cc(OCc3ccccc3)ccc2[O-])c1 ZINC000436891853 501228391 /nfs/dbraw/zinc/22/83/91/501228391.db2.gz HPAIAAJXKHCYGW-UHFFFAOYSA-N -1 3 364.401 3.305 20 0 FGADHM COCCOc1ccc([C@H](C)NC(=O)c2ccc([O-])c(C)c2)cc1OC ZINC000436925689 501234017 /nfs/dbraw/zinc/23/40/17/501234017.db2.gz KLUQTLJVIRVTMX-AWEZNQCLSA-N -1 3 359.422 3.225 20 0 FGADHM CCO[C@@H]1C[C@](O)(CNC(=O)CCc2ccc3ccccc3c2[O-])C1(C)C ZINC000451115131 501246708 /nfs/dbraw/zinc/24/67/08/501246708.db2.gz NJHUETVBCRLIJK-GCJKJVERSA-N -1 3 371.477 3.160 20 0 FGADHM CCOc1ccncc1S(=O)(=O)[N-][C@H](C)c1ccc(F)cc1Cl ZINC000451214126 501252802 /nfs/dbraw/zinc/25/28/02/501252802.db2.gz GVSISKZYMFMFKL-SNVBAGLBSA-N -1 3 358.822 3.312 20 0 FGADHM CCOc1ccncc1S(=O)(=O)[N-]C[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000451302664 501260442 /nfs/dbraw/zinc/26/04/42/501260442.db2.gz KYULWKSFRCZRJW-NEPJUHHUSA-N -1 3 366.405 3.127 20 0 FGADHM CC[C@@H]([N-]S(=O)(=O)C[C@@H]1CCCCC1(F)F)c1c(C)noc1C ZINC000451349453 501272440 /nfs/dbraw/zinc/27/24/40/501272440.db2.gz XMCKIXRNDVOEAP-QWHCGFSZSA-N -1 3 350.431 3.487 20 0 FGADHM [O-]c1ccc(Cc2nc(-c3ccc(N4CCOCC4)c(F)c3)no2)cc1F ZINC000453138372 501277014 /nfs/dbraw/zinc/27/70/14/501277014.db2.gz JGOUVHLNLRXCLQ-UHFFFAOYSA-N -1 3 373.359 3.148 20 0 FGADHM CC1(C)CCC[C@@](O)(C[N-]S(=O)(=O)C[C@@H]2CCCCC2(F)F)C1 ZINC000451434265 501292487 /nfs/dbraw/zinc/29/24/87/501292487.db2.gz HJCDJDQPTLPPLT-ZFWWWQNUSA-N -1 3 353.475 3.063 20 0 FGADHM CO[C@@H](CC[N-]S(=O)(=O)c1ccc2ccccc2c1F)C(F)(F)F ZINC000451445455 501294179 /nfs/dbraw/zinc/29/41/79/501294179.db2.gz LXNNSSLNSGVITF-ZDUSSCGKSA-N -1 3 365.348 3.225 20 0 FGADHM CC(C)(CO)[C@H]([N-]S(=O)(=O)c1sccc1Cl)c1ccccc1 ZINC000451462323 501297479 /nfs/dbraw/zinc/29/74/79/501297479.db2.gz VMZQBWLLANWTNC-CYBMUJFWSA-N -1 3 359.900 3.440 20 0 FGADHM O=S(=O)([N-]CCCO[C@H]1CCCCO1)c1ccc2ccccc2c1F ZINC000451486545 501304103 /nfs/dbraw/zinc/30/41/03/501304103.db2.gz JXNCZGWGAGKRLN-KRWDZBQOSA-N -1 3 367.442 3.191 20 0 FGADHM CCc1nc(C(C)(C)[N-]S(=O)(=O)c2ccc3cc(C)ccc3c2)no1 ZINC000451501176 501307539 /nfs/dbraw/zinc/30/75/39/501307539.db2.gz OINLWZWWXCZCKN-UHFFFAOYSA-N -1 3 359.451 3.307 20 0 FGADHM O=S(=O)(C[C@@H]1CCCC1(F)F)[N-][C@@H]1COc2cccc(Cl)c21 ZINC000451560569 501324517 /nfs/dbraw/zinc/32/45/17/501324517.db2.gz WLNFIWSFADYDNP-GXSJLCMTSA-N -1 3 351.802 3.128 20 0 FGADHM CC[C@H](COCC(F)(F)F)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000451656584 501345865 /nfs/dbraw/zinc/34/58/65/501345865.db2.gz UJYLHGAQNWTMIL-SECBINFHSA-N -1 3 363.760 3.115 20 0 FGADHM CO[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1Cl)Cc1ccccc1 ZINC000451660676 501346448 /nfs/dbraw/zinc/34/64/48/501346448.db2.gz GVHCEDKVINYYCB-AWEZNQCLSA-N -1 3 357.834 3.015 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)c1csc2ccc(Cl)cc21)[C@@H](O)C(F)F ZINC000451706357 501357089 /nfs/dbraw/zinc/35/70/89/501357089.db2.gz GDTVXZBHOLQJBI-JOYOIKCWSA-N -1 3 369.842 3.238 20 0 FGADHM CC[C@@H]([N-]S(=O)(=O)c1c(Cl)ccc2ccccc21)[C@H](O)C(F)F ZINC000451713279 501358326 /nfs/dbraw/zinc/35/83/26/501358326.db2.gz OGFLKIOVKOMMCO-OLZOCXBDSA-N -1 3 363.813 3.176 20 0 FGADHM Cc1ncsc1CC[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC000451790114 501372556 /nfs/dbraw/zinc/37/25/56/501372556.db2.gz SVKGMCRYRCJSOS-UHFFFAOYSA-N -1 3 368.377 3.130 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]C[C@H]2CCO[C@H](C(C)C)C2)sc1Cl ZINC000451819518 501379249 /nfs/dbraw/zinc/37/92/49/501379249.db2.gz VTHPSYSKNCQPOD-RYUDHWBXSA-N -1 3 351.921 3.439 20 0 FGADHM CO[C@](C)(C[N-]S(=O)(=O)Cc1ccc(C)cc1F)c1ccccc1 ZINC000451824334 501380335 /nfs/dbraw/zinc/38/03/35/501380335.db2.gz LWYMENJYKOLEMX-GOSISDBHSA-N -1 3 351.443 3.115 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCc3c2ccc(F)c3Br)o1 ZINC000451911865 501399132 /nfs/dbraw/zinc/39/91/32/501399132.db2.gz QZSVWNTVKXUEKR-LBPRGKRZSA-N -1 3 374.231 3.455 20 0 FGADHM CCc1ncc(C[N-]S(=O)(=O)c2cc(C)c(Br)cc2C)o1 ZINC000451956288 501407797 /nfs/dbraw/zinc/40/77/97/501407797.db2.gz GZUYDXSQLTXWBL-UHFFFAOYSA-N -1 3 373.272 3.095 20 0 FGADHM CO[C@@H]([C@H](C)[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl)C1CC1 ZINC000451982009 501412868 /nfs/dbraw/zinc/41/28/68/501412868.db2.gz FNAOUNIBLLQAAC-ZANVPECISA-N -1 3 352.283 3.394 20 0 FGADHM CC(C)CCc1ccc(NC(=O)NCc2n[n-]c(C(F)(F)F)n2)nc1 ZINC000455957750 501425802 /nfs/dbraw/zinc/42/58/02/501425802.db2.gz IRBZIDVOOYJGNF-UHFFFAOYSA-N -1 3 356.352 3.129 20 0 FGADHM CC(C)CCc1ccc(NC(=O)NCc2nnc(C(F)(F)F)[n-]2)nc1 ZINC000455957750 501425804 /nfs/dbraw/zinc/42/58/04/501425804.db2.gz IRBZIDVOOYJGNF-UHFFFAOYSA-N -1 3 356.352 3.129 20 0 FGADHM CC(C)CCc1ccc(NC(=O)NCc2nc(C(F)(F)F)n[n-]2)nc1 ZINC000455957750 501425806 /nfs/dbraw/zinc/42/58/06/501425806.db2.gz IRBZIDVOOYJGNF-UHFFFAOYSA-N -1 3 356.352 3.129 20 0 FGADHM COc1cc2c(cc1F)[n-]cc(C(=O)N1CCC3(CCCC3)CC1)c2=O ZINC000456090262 501452304 /nfs/dbraw/zinc/45/23/04/501452304.db2.gz FQPVBJBSIKJGGQ-UHFFFAOYSA-N -1 3 358.413 3.472 20 0 FGADHM COC[C@H]1CCCN(C(=O)NCc2ccc([O-])c(Br)c2)CC1 ZINC000458545064 501470821 /nfs/dbraw/zinc/47/08/21/501470821.db2.gz FMUXOHQTUUGKHR-LBPRGKRZSA-N -1 3 371.275 3.113 20 0 FGADHM CC[C@@H](COCC(F)(F)F)NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000452334913 501480080 /nfs/dbraw/zinc/48/00/80/501480080.db2.gz JVDUSQFDDMLBNE-LBPRGKRZSA-N -1 3 351.340 3.328 20 0 FGADHM COc1cc2c(cc1F)[n-]cc(C(=O)N1C[C@@H](C(C)C)[C@@H]1C(C)C)c2=O ZINC000456294538 501490574 /nfs/dbraw/zinc/49/05/74/501490574.db2.gz AZRGBNNQMXNOMM-KSSFIOAISA-N -1 3 360.429 3.428 20 0 FGADHM CC[C@@H](C)[C@@H](CNC(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1)OC ZINC000452415468 501495545 /nfs/dbraw/zinc/49/55/45/501495545.db2.gz PUYQIWXZHLRLKY-AUUYWEPGSA-N -1 3 355.434 3.414 20 0 FGADHM CCCCN(C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)[C@@H]1CCCC[C@H]1OC ZINC000454321585 501513244 /nfs/dbraw/zinc/51/32/44/501513244.db2.gz NPNFPNSPOKLKKK-IAGOWNOFSA-N -1 3 373.453 3.162 20 0 FGADHM CC[C@@H]1CCC[C@@H]1CNC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000452517732 501517373 /nfs/dbraw/zinc/51/73/73/501517373.db2.gz DIWKOTOCXPFPLS-NVXWUHKLSA-N -1 3 368.481 3.015 20 0 FGADHM CO[C@@H]([C@@H](C)NC(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1)C1CC1 ZINC000456563789 501548776 /nfs/dbraw/zinc/54/87/76/501548776.db2.gz MULIUGARFUCPOE-XCLFUZPHSA-N -1 3 353.418 3.167 20 0 FGADHM C[C@@H](O)CN(CC(F)F)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000456590566 501553221 /nfs/dbraw/zinc/55/32/21/501553221.db2.gz OVZAQXIVACOWBV-GFCCVEGCSA-N -1 3 351.349 3.273 20 0 FGADHM CCc1cc(C(=O)N[C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)ccc1[O-] ZINC000456604252 501556546 /nfs/dbraw/zinc/55/65/46/501556546.db2.gz CPMJVFCKJBERSM-UONOGXRCSA-N -1 3 352.434 3.051 20 0 FGADHM O=C(NCC1(CF)CCOCC1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000452793270 501563020 /nfs/dbraw/zinc/56/30/20/501563020.db2.gz LQYCMKYPEZHYIA-UHFFFAOYSA-N -1 3 357.425 3.479 20 0 FGADHM CC/C=C\CNC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000458967586 501567331 /nfs/dbraw/zinc/56/73/31/501567331.db2.gz HQTXTOBLYRIENW-ARJAWSKDSA-N -1 3 365.861 3.372 20 0 FGADHM Cc1csc([C@H]2CN(Cc3cccc([O-])c3Br)CCO2)n1 ZINC000459331423 501632211 /nfs/dbraw/zinc/63/22/11/501632211.db2.gz VDOBYCGGGPZKKH-CYBMUJFWSA-N -1 3 369.284 3.493 20 0 FGADHM CCOc1cc(CN(C)[C@H](C)C(=O)OC(C)C)cc(Br)c1[O-] ZINC000459334060 501633359 /nfs/dbraw/zinc/63/33/59/501633359.db2.gz CXYBKLWIUQLANS-LLVKDONJSA-N -1 3 374.275 3.325 20 0 FGADHM CCOc1cc(CN2CCC[C@@H]2[C@@H](O)C(F)(F)F)cc(Cl)c1[O-] ZINC000459337594 501634266 /nfs/dbraw/zinc/63/42/66/501634266.db2.gz RDBAVPVYLQXUGL-BXUZGUMPSA-N -1 3 353.768 3.332 20 0 FGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@@]2(C)CC=CCC2)cc1OC ZINC000459349277 501636307 /nfs/dbraw/zinc/63/63/07/501636307.db2.gz IZRFYFUTGWNKIY-KRWDZBQOSA-N -1 3 367.471 3.077 20 0 FGADHM COc1ccc(OCCNCc2cccc([O-])c2Br)cc1 ZINC000459375837 501642391 /nfs/dbraw/zinc/64/23/91/501642391.db2.gz KKYUYJHGKJJYAC-UHFFFAOYSA-N -1 3 352.228 3.332 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@H](C)CC(C)(C)C)c1 ZINC000457196417 501663928 /nfs/dbraw/zinc/66/39/28/501663928.db2.gz RPLVOPKVPFGEAE-LLVKDONJSA-N -1 3 359.426 3.495 20 0 FGADHM CCOc1cc(CN2CCOC[C@@H]2[C@H]2CCCC2=O)cc(Cl)c1[O-] ZINC000459499414 501664572 /nfs/dbraw/zinc/66/45/72/501664572.db2.gz AMBBVIZJAHLIPZ-UKRRQHHQSA-N -1 3 353.846 3.014 20 0 FGADHM [O-]c1cccc(CN2CC[C@@H](C(F)(F)F)[C@H](CO)C2)c1Br ZINC000459552003 501675190 /nfs/dbraw/zinc/67/51/90/501675190.db2.gz YCTVONPMIVEBFZ-WDEREUQCSA-N -1 3 368.193 3.147 20 0 FGADHM Cc1ccc(C[C@@H](CO)NC(=O)CCCc2ccc([O-])c(F)c2)cc1C ZINC000457281853 501675507 /nfs/dbraw/zinc/67/55/07/501675507.db2.gz KBQQNSDHZRRPND-SFHVURJKSA-N -1 3 359.441 3.191 20 0 FGADHM CCOc1cc(CNCc2nn(C)cc2Cl)cc(Br)c1[O-] ZINC000459571114 501679032 /nfs/dbraw/zinc/67/90/32/501679032.db2.gz FSJOSRNPLRAFSE-UHFFFAOYSA-N -1 3 374.666 3.230 20 0 FGADHM COc1ccc([C@@H](CO)CNCc2cccc([O-])c2Br)cc1 ZINC000459728719 501705275 /nfs/dbraw/zinc/70/52/75/501705275.db2.gz AEYNNHHULPMOGF-CQSZACIVSA-N -1 3 366.255 3.029 20 0 FGADHM CCc1ccc([C@H]2CCN(C(=O)N=c3cc(OC(F)F)n(C)[n-]3)C2)cc1 ZINC000455196563 501705749 /nfs/dbraw/zinc/70/57/49/501705749.db2.gz AMJYOHNMEXQNEB-AWEZNQCLSA-N -1 3 364.396 3.027 20 0 FGADHM CCOCc1nc(C)c(C(=O)[N-]c2cc(C(=O)OC)c(F)cc2F)s1 ZINC000459953595 501723122 /nfs/dbraw/zinc/72/31/22/501723122.db2.gz VKKVIHOADJDIDV-UHFFFAOYSA-N -1 3 370.377 3.305 20 0 FGADHM COC[C@H]([N-]S(=O)(=O)c1ccc(C(=O)C(C)C)cc1)c1ccc(C)o1 ZINC000474171325 501730193 /nfs/dbraw/zinc/73/01/93/501730193.db2.gz DDIRDMYBQYUJPO-INIZCTEOSA-N -1 3 365.451 3.093 20 0 FGADHM O=C(CCc1cncc(F)c1)Nc1nnc(-c2cc3ccccc3o2)[n-]1 ZINC000485128099 501730668 /nfs/dbraw/zinc/73/06/68/501730668.db2.gz WPFJPAQCMDMOIZ-UHFFFAOYSA-N -1 3 351.341 3.323 20 0 FGADHM O=C(CCc1cncc(F)c1)Nc1nc(-c2cc3ccccc3o2)n[n-]1 ZINC000485128099 501730673 /nfs/dbraw/zinc/73/06/73/501730673.db2.gz WPFJPAQCMDMOIZ-UHFFFAOYSA-N -1 3 351.341 3.323 20 0 FGADHM O=C(CCc1cncc(F)c1)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000485128099 501730678 /nfs/dbraw/zinc/73/06/78/501730678.db2.gz WPFJPAQCMDMOIZ-UHFFFAOYSA-N -1 3 351.341 3.323 20 0 FGADHM COc1c(=O)[n-]c(=O)[nH]c1C(=O)Nc1ccccc1Oc1cccc(F)c1 ZINC000477607937 501736107 /nfs/dbraw/zinc/73/61/07/501736107.db2.gz QTDHHRKWTZEXGO-UHFFFAOYSA-N -1 3 371.324 3.080 20 0 FGADHM CS(=O)(=O)Cc1ccc(NC(=O)c2cc([O-])ccc2C(F)(F)F)cc1 ZINC000477611698 501737430 /nfs/dbraw/zinc/73/74/30/501737430.db2.gz SRBPJPOODDKJOP-UHFFFAOYSA-N -1 3 373.352 3.208 20 0 FGADHM Cc1ccccc1-c1cc(=NC(=O)c2ccn(Cc3ccccc3)n2)[nH][n-]1 ZINC000477618106 501739187 /nfs/dbraw/zinc/73/91/87/501739187.db2.gz OAEOMPZUYVQCDC-UHFFFAOYSA-N -1 3 357.417 3.304 20 0 FGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@H]1CCN(C)[C@H](C)C1 ZINC000470604203 501741069 /nfs/dbraw/zinc/74/10/69/501741069.db2.gz AGBWLXDBKUYSOL-MFKMUULPSA-N -1 3 356.875 3.156 20 0 FGADHM COC(=O)c1sc2[n-]c(-c3cnc4ccsc4c3)nc(=O)c2c1C ZINC000477626277 501742689 /nfs/dbraw/zinc/74/26/89/501742689.db2.gz MEZYJTZGJHPEOO-UHFFFAOYSA-N -1 3 357.416 3.356 20 0 FGADHM C[C@H](Cc1ccccc1Br)[N-]S(=O)(=O)c1cccs1 ZINC000470616975 501745448 /nfs/dbraw/zinc/74/54/48/501745448.db2.gz FFOUDKKCJLMXHH-SNVBAGLBSA-N -1 3 360.298 3.420 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]c2ccc(OCC(C)(C)O)cc2)ccc1F ZINC000485264449 501773521 /nfs/dbraw/zinc/77/35/21/501773521.db2.gz HZKHBIUKBJCBJN-UHFFFAOYSA-N -1 3 353.415 3.085 20 0 FGADHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1Cc2ccc(C)cc2C1 ZINC000485333710 501790936 /nfs/dbraw/zinc/79/09/36/501790936.db2.gz WTNRNNQEIIXBPJ-UHFFFAOYSA-N -1 3 372.446 3.023 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1nc2ccccc2cc1Cl ZINC000463723424 501802206 /nfs/dbraw/zinc/80/22/06/501802206.db2.gz PPVAIDUZLVXVKD-UHFFFAOYSA-N -1 3 350.769 3.321 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1nc2ccccc2cc1Cl ZINC000463723424 501802208 /nfs/dbraw/zinc/80/22/08/501802208.db2.gz PPVAIDUZLVXVKD-UHFFFAOYSA-N -1 3 350.769 3.321 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1c(F)cc(C(F)(F)F)cc1F ZINC000463721402 501802276 /nfs/dbraw/zinc/80/22/76/501802276.db2.gz IZNJIESZGUIYDL-UHFFFAOYSA-N -1 3 369.253 3.416 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1c(F)cc(C(F)(F)F)cc1F ZINC000463721402 501802282 /nfs/dbraw/zinc/80/22/82/501802282.db2.gz IZNJIESZGUIYDL-UHFFFAOYSA-N -1 3 369.253 3.416 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000463723923 501803545 /nfs/dbraw/zinc/80/35/45/501803545.db2.gz GTCQHEMXYQLGJP-VXGBXAGGSA-N -1 3 359.311 3.026 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000463723923 501803552 /nfs/dbraw/zinc/80/35/52/501803552.db2.gz GTCQHEMXYQLGJP-VXGBXAGGSA-N -1 3 359.311 3.026 20 0 FGADHM COC(=O)CCc1ccc([N-]S(=O)(=O)c2c(C)cc(F)cc2C)cc1 ZINC000485411756 501814308 /nfs/dbraw/zinc/81/43/08/501814308.db2.gz IXGKUEGTKZNIEG-UHFFFAOYSA-N -1 3 365.426 3.349 20 0 FGADHM Cn1c(=O)[n-]nc1SCc1cc(Br)cc2cccnc21 ZINC000470823536 501819226 /nfs/dbraw/zinc/81/92/26/501819226.db2.gz VLGAGEPFIPUQFU-UHFFFAOYSA-N -1 3 351.229 3.124 20 0 FGADHM O=S(=O)([N-][C@H]1CC[C@H](c2ccccc2F)C1)c1cncc(Cl)c1 ZINC000481591386 501824836 /nfs/dbraw/zinc/82/48/36/501824836.db2.gz HKAPECYXJQKBST-AAEUAGOBSA-N -1 3 354.834 3.489 20 0 FGADHM O=C(N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1)c1cncn1-c1ccccc1 ZINC000467715698 501852213 /nfs/dbraw/zinc/85/22/13/501852213.db2.gz WQUSXRNCPYZZRV-UHFFFAOYSA-N -1 3 365.343 3.215 20 0 FGADHM Cc1nc(-c2ccc(NC(=O)NC[C@]3(C)CCCC[C@H]3O)cc2)cc(=O)[n-]1 ZINC000481735643 501868430 /nfs/dbraw/zinc/86/84/30/501868430.db2.gz MREMWUFCMMUYQQ-XLIONFOSSA-N -1 3 370.453 3.220 20 0 FGADHM CCc1cc(C(=O)N[C@@H](C)c2ccc(OCCOC)c(OC)c2)ccc1[O-] ZINC000485598215 501873383 /nfs/dbraw/zinc/87/33/83/501873383.db2.gz JRMODKRWCQRBQY-AWEZNQCLSA-N -1 3 373.449 3.479 20 0 FGADHM CN(CCCOCc1ccccc1)C(=O)c1c[n-]c2ccccc2c1=O ZINC000467805298 501880016 /nfs/dbraw/zinc/88/00/16/501880016.db2.gz LORIHIHQBMBICE-UHFFFAOYSA-N -1 3 350.418 3.207 20 0 FGADHM Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)c2ccc3c(c2)C(=O)[N-]C3=O)cc1 ZINC000464050486 501884742 /nfs/dbraw/zinc/88/47/42/501884742.db2.gz DMDIGLRFTCVULL-LPHOPBHVSA-N -1 3 362.429 3.287 20 0 FGADHM Cc1nc(C)c(CC(=O)NC2CC(c3ccc(F)c(Cl)c3)C2)c(=O)[n-]1 ZINC000467857090 501891579 /nfs/dbraw/zinc/89/15/79/501891579.db2.gz VELBWSPHEUOTRS-UHFFFAOYSA-N -1 3 363.820 3.196 20 0 FGADHM COc1ccc(S(=O)(=O)[N-][C@@H](C)c2ccc(OC)c(F)c2)c(F)c1 ZINC000478147322 501893251 /nfs/dbraw/zinc/89/32/51/501893251.db2.gz JJXBCJQGOVHJJS-JTQLQIEISA-N -1 3 357.378 3.022 20 0 FGADHM C[C@@H](C(=O)Nc1ccc(F)c([N-]S(C)(=O)=O)c1)c1ccc(F)c(F)c1 ZINC000460681042 501895457 /nfs/dbraw/zinc/89/54/57/501895457.db2.gz ULHGIJHOQVXYTR-SECBINFHSA-N -1 3 372.368 3.218 20 0 FGADHM Cc1cccc(S(=O)(=O)[N-]c2ccncc2Br)c1Cl ZINC000481919360 501917676 /nfs/dbraw/zinc/91/76/76/501917676.db2.gz IBOHYGGKIYXWPY-UHFFFAOYSA-N -1 3 361.648 3.029 20 0 FGADHM CC1(C)[C@@H](NC(=O)c2ccc3n[n-]nc3c2)C[C@@H]1OCc1ccccc1 ZINC000474689328 501921646 /nfs/dbraw/zinc/92/16/46/501921646.db2.gz WWFYKLLHMVGHHV-ROUUACIJSA-N -1 3 350.422 3.072 20 0 FGADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)C1(c2cccc(F)c2)CCCC1 ZINC000481932897 501922181 /nfs/dbraw/zinc/92/21/81/501922181.db2.gz NRHVEWPMTXMXNJ-UHFFFAOYSA-N -1 3 356.323 3.091 20 0 FGADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)C1(c2cccc(F)c2)CCCC1 ZINC000481932897 501922187 /nfs/dbraw/zinc/92/21/87/501922187.db2.gz NRHVEWPMTXMXNJ-UHFFFAOYSA-N -1 3 356.323 3.091 20 0 FGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)C1(c2cccc(F)c2)CCCC1 ZINC000481932897 501922193 /nfs/dbraw/zinc/92/21/93/501922193.db2.gz NRHVEWPMTXMXNJ-UHFFFAOYSA-N -1 3 356.323 3.091 20 0 FGADHM CCCCN(CC)c1ccc(C(=O)NCc2n[n-]c(C(F)(F)F)n2)cc1 ZINC000481932055 501922319 /nfs/dbraw/zinc/92/23/19/501922319.db2.gz LHYWSMCOXURTEE-UHFFFAOYSA-N -1 3 369.391 3.380 20 0 FGADHM CCCCN(CC)c1ccc(C(=O)NCc2nnc(C(F)(F)F)[n-]2)cc1 ZINC000481932055 501922326 /nfs/dbraw/zinc/92/23/26/501922326.db2.gz LHYWSMCOXURTEE-UHFFFAOYSA-N -1 3 369.391 3.380 20 0 FGADHM CCCCN(CC)c1ccc(C(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000481932055 501922330 /nfs/dbraw/zinc/92/23/30/501922330.db2.gz LHYWSMCOXURTEE-UHFFFAOYSA-N -1 3 369.391 3.380 20 0 FGADHM COc1cc(F)c(S(=O)(=O)[N-]CCC2=CCCCCC2)cc1OC ZINC000464216863 501924729 /nfs/dbraw/zinc/92/47/29/501924729.db2.gz WROSBYXCDOTGIJ-UHFFFAOYSA-N -1 3 357.447 3.402 20 0 FGADHM O=C(CNC(=O)c1cccc([O-])c1)N1CCC(c2cccc(Cl)c2)CC1 ZINC000478269387 501927920 /nfs/dbraw/zinc/92/79/20/501927920.db2.gz UKCOBZRRIGRVKM-UHFFFAOYSA-N -1 3 372.852 3.182 20 0 FGADHM COc1cc2nc(C)sc2cc1[N-]S(=O)(=O)N1CCC[C@H](C)C1 ZINC000460822725 501929404 /nfs/dbraw/zinc/92/94/04/501929404.db2.gz GJTYWTSFSJEITK-JTQLQIEISA-N -1 3 355.485 3.002 20 0 FGADHM CCc1cc(C(=O)N2CCC(C(=O)OC)(c3ccccc3)CC2)ccc1[O-] ZINC000485779504 501932427 /nfs/dbraw/zinc/93/24/27/501932427.db2.gz XUWNIJXSEMERPF-UHFFFAOYSA-N -1 3 367.445 3.302 20 0 FGADHM CCN=c1[n-]c(C(=O)N[C@H](CC)c2nc(-c3ccccc3)c[nH]2)cs1 ZINC000478287404 501933087 /nfs/dbraw/zinc/93/30/87/501933087.db2.gz UCNZCEJJPHMTRR-CYBMUJFWSA-N -1 3 355.467 3.268 20 0 FGADHM CC1CCN(C(=O)C(=O)Nc2cc(Cc3ccccc3)ccc2[O-])CC1 ZINC000474731188 501936316 /nfs/dbraw/zinc/93/63/16/501936316.db2.gz RJPIFZDBHXZUMA-UHFFFAOYSA-N -1 3 352.434 3.180 20 0 FGADHM COc1cccc(CCC(=O)Nc2nnc(-c3c(F)cccc3F)[n-]2)c1 ZINC000478311585 501938291 /nfs/dbraw/zinc/93/82/91/501938291.db2.gz HYFHVFPVYXYOIU-UHFFFAOYSA-N -1 3 358.348 3.330 20 0 FGADHM COc1cccc(CCC(=O)Nc2nc(-c3c(F)cccc3F)n[n-]2)c1 ZINC000478311585 501938298 /nfs/dbraw/zinc/93/82/98/501938298.db2.gz HYFHVFPVYXYOIU-UHFFFAOYSA-N -1 3 358.348 3.330 20 0 FGADHM COc1cccc(CCC(=O)Nc2n[n-]c(-c3c(F)cccc3F)n2)c1 ZINC000478311585 501938302 /nfs/dbraw/zinc/93/83/02/501938302.db2.gz HYFHVFPVYXYOIU-UHFFFAOYSA-N -1 3 358.348 3.330 20 0 FGADHM CN(C)S(=O)(=O)c1ccc(F)c([N-]C(=O)c2cc3occc3s2)c1 ZINC000607838514 506282965 /nfs/dbraw/zinc/28/29/65/506282965.db2.gz KIILJZJGMUYEAC-UHFFFAOYSA-N -1 3 368.411 3.136 20 0 FGADHM CCc1ncc(S(=O)(=O)[N-]Cc2ccc(F)cc2CSC)s1 ZINC000460889040 501951927 /nfs/dbraw/zinc/95/19/27/501951927.db2.gz IEJNVNXEPZKXJV-UHFFFAOYSA-N -1 3 360.501 3.186 20 0 FGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)N[C@@H]1C[C@@H]1c1ccccc1 ZINC000482047249 501956851 /nfs/dbraw/zinc/95/68/51/501956851.db2.gz JVLPGOADVZKVPD-HUUCEWRRSA-N -1 3 371.238 3.196 20 0 FGADHM CN(C[C@H]1CC=CCC1)C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482049772 501958011 /nfs/dbraw/zinc/95/80/11/501958011.db2.gz NWWSOGNAKCPYQD-LBPRGKRZSA-N -1 3 363.259 3.339 20 0 FGADHM C[C@@H](NC(=O)N=c1cc(OC(F)F)n(C)[n-]1)c1cc2cccc(F)c2o1 ZINC000474827014 501965077 /nfs/dbraw/zinc/96/50/77/501965077.db2.gz YRRYNVRVMUPUNB-MRVPVSSYSA-N -1 3 368.315 3.211 20 0 FGADHM O=C(Cc1cncc([O-])c1)Nc1cc(Br)ccc1NC1CC1 ZINC000611750234 506285063 /nfs/dbraw/zinc/28/50/63/506285063.db2.gz HXBKQTLNFSWQGS-UHFFFAOYSA-N -1 3 362.227 3.305 20 0 FGADHM O=C(NCc1ncccc1[O-])Nc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000471255223 501968284 /nfs/dbraw/zinc/96/82/84/501968284.db2.gz RETAKCYXGJLGEO-UHFFFAOYSA-N -1 3 362.389 3.361 20 0 FGADHM CCc1ncc(S(=O)(=O)[N-]CC[C@@H](C)c2ccc(OC)cc2)s1 ZINC000460956926 501970787 /nfs/dbraw/zinc/97/07/87/501970787.db2.gz JPFJSFRRQWTSBL-GFCCVEGCSA-N -1 3 354.497 3.186 20 0 FGADHM C[C@@H](c1ccccn1)N(C)C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482111222 501977373 /nfs/dbraw/zinc/97/73/73/501977373.db2.gz CJKHJRKOQPXVKB-NSHDSACASA-N -1 3 374.242 3.139 20 0 FGADHM COc1cccc(CC[N-]S(=O)(=O)c2oc3ccc(F)cc3c2C)c1 ZINC000471303197 501984014 /nfs/dbraw/zinc/98/40/14/501984014.db2.gz DXLISYINCITYLS-UHFFFAOYSA-N -1 3 363.410 3.410 20 0 FGADHM O=S(=O)([N-][C@H]1CCN(CC2CCCC2)C1)c1c(F)cccc1Cl ZINC000464429393 501986932 /nfs/dbraw/zinc/98/69/32/501986932.db2.gz VJMRREFVYPKOEC-ZDUSSCGKSA-N -1 3 360.882 3.022 20 0 FGADHM CO[C@H](CNC(=O)c1cc(=O)c2ccccc2[n-]1)c1ccc(Cl)cc1 ZINC000461025577 501992386 /nfs/dbraw/zinc/99/23/86/501992386.db2.gz DXUZPBIIBWDMJQ-GOSISDBHSA-N -1 3 356.809 3.299 20 0 FGADHM Cc1cccc([C@@H]2CCCCN2C(=O)CNC(=O)c2cccc([O-])c2)c1C ZINC000471380298 502004775 /nfs/dbraw/zinc/00/47/75/502004775.db2.gz PKVRRCOYWTWMQM-FQEVSTJZSA-N -1 3 366.461 3.493 20 0 FGADHM C[C@H]1CCCN(C(=O)C(=O)[N-]c2nc3ccccc3n2-c2ccccc2)C1 ZINC000471383505 502006403 /nfs/dbraw/zinc/00/64/03/502006403.db2.gz DCAVDVDVISBJCF-HNNXBMFYSA-N -1 3 362.433 3.223 20 0 FGADHM Cc1ccncc1C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000461112803 502016888 /nfs/dbraw/zinc/01/68/88/502016888.db2.gz VEJZZQUIQCRQFV-UHFFFAOYSA-N -1 3 373.356 3.033 20 0 FGADHM CCN=c1[n-]c(C(=O)N(C)Cc2cc(Br)cs2)cs1 ZINC000478758265 502077508 /nfs/dbraw/zinc/07/75/08/502077508.db2.gz ZUDWQODSDGPFNN-UHFFFAOYSA-N -1 3 360.302 3.093 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(N(CCO)CC3CCCCC3)nc2)n1 ZINC000486034582 502026007 /nfs/dbraw/zinc/02/60/07/502026007.db2.gz GAQIWIROUBTCCZ-UHFFFAOYSA-N -1 3 356.470 3.186 20 0 FGADHM C[C@H]1CC[C@H](CN(C)Cc2cccc([N-]S(=O)(=O)c3ccccc3)c2)O1 ZINC000475058148 502040217 /nfs/dbraw/zinc/04/02/17/502040217.db2.gz PJONSUBNNPKPKG-QFBILLFUSA-N -1 3 374.506 3.487 20 0 FGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H](SC)C(C)(C)C ZINC000486098742 502046362 /nfs/dbraw/zinc/04/63/62/502046362.db2.gz SBFGQQZVDLBKAV-ZDUSSCGKSA-N -1 3 351.921 3.405 20 0 FGADHM Cc1ccnc2nc(C(=O)[N-]c3ncc(-c4ccc(Cl)cc4)s3)nn21 ZINC000464712572 502071158 /nfs/dbraw/zinc/07/11/58/502071158.db2.gz POQBFDYVBSFXHA-UHFFFAOYSA-N -1 3 370.825 3.462 20 0 FGADHM Cn1cc([N-]S(=O)(=O)N2CCC3(CCCCC3)CC2)c(C2CC2)n1 ZINC000461345293 502077363 /nfs/dbraw/zinc/07/73/63/502077363.db2.gz APDPNAPFCYVGIJ-UHFFFAOYSA-N -1 3 352.504 3.001 20 0 FGADHM C[C@@H](CNC(=O)c1cc(=O)c2ccccc2[n-]1)Oc1ccccc1Cl ZINC000461357423 502080892 /nfs/dbraw/zinc/08/08/92/502080892.db2.gz ASCSAHWWWIOLTP-LBPRGKRZSA-N -1 3 356.809 3.379 20 0 FGADHM CN(Cc1ccccc1)[C@@H](C[N-]S(=O)(=O)c1ccccc1F)C1CC1 ZINC000478787599 502085742 /nfs/dbraw/zinc/08/57/42/502085742.db2.gz ICDCBAYYJCUKTL-SFHVURJKSA-N -1 3 362.470 3.015 20 0 FGADHM COC(=O)c1cc(CN(C)C(=O)CCCc2ccc([O-])c(F)c2)oc1C ZINC000468521696 502089982 /nfs/dbraw/zinc/08/99/82/502089982.db2.gz GYJCQSNYEASZOT-UHFFFAOYSA-N -1 3 363.385 3.201 20 0 FGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]CCO[C@@H]1CCCC[C@@H]1C ZINC000486254850 502101951 /nfs/dbraw/zinc/10/19/51/502101951.db2.gz TXSJHGLFJQNUEO-GXTWGEPZSA-N -1 3 361.891 3.222 20 0 FGADHM CCc1nc(CC[N-]S(=O)(=O)c2cc(Cl)ccc2OC)sc1C ZINC000486255427 502102077 /nfs/dbraw/zinc/10/20/77/502102077.db2.gz FDMVDSIBSWZSBE-UHFFFAOYSA-N -1 3 374.915 3.197 20 0 FGADHM COc1cccc(N2CCN(C(=O)CCCc3ccc([O-])c(F)c3)CC2)c1 ZINC000468553932 502103810 /nfs/dbraw/zinc/10/38/10/502103810.db2.gz MDPWXARTCXAYBW-UHFFFAOYSA-N -1 3 372.440 3.211 20 0 FGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H](C)N(C)c1ccccc1 ZINC000486274508 502108218 /nfs/dbraw/zinc/10/82/18/502108218.db2.gz MGFOHLYKPUBZDH-ZDUSSCGKSA-N -1 3 368.886 3.152 20 0 FGADHM CCc1cc(C(=O)N(C)[C@@H]2CCN(c3ccccc3Cl)C2=O)ccc1[O-] ZINC000486279898 502109213 /nfs/dbraw/zinc/10/92/13/502109213.db2.gz CVTIGLDAOXJEGJ-QGZVFWFLSA-N -1 3 372.852 3.486 20 0 FGADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]C[C@@H](c1ccco1)N(C)C ZINC000471707192 502114202 /nfs/dbraw/zinc/11/42/02/502114202.db2.gz VEMAOGUASNRIMK-AWEZNQCLSA-N -1 3 366.414 3.055 20 0 FGADHM CC[C@@H](C(=O)NCCCNC(=O)c1cccc([O-])c1)C1CCC(C)CC1 ZINC000461439944 502115520 /nfs/dbraw/zinc/11/55/20/502115520.db2.gz ADMBDEFRBJPFJI-LADRWXRNSA-N -1 3 360.498 3.481 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-]CC1(N2CCCCC2)CCCCC1 ZINC000471715767 502116719 /nfs/dbraw/zinc/11/67/19/502116719.db2.gz MWPGUSFMRZQCAL-UHFFFAOYSA-N -1 3 372.556 3.224 20 0 FGADHM COc1ccc2c(c1)CN(C(=O)c1c[n-]c3c(F)cc(F)cc3c1=O)CC2 ZINC000486330288 502124223 /nfs/dbraw/zinc/12/42/23/502124223.db2.gz DDEJSPXKOQBXTG-UHFFFAOYSA-N -1 3 370.355 3.013 20 0 FGADHM CCC[C@@H](C)N(C)C(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000471748874 502126027 /nfs/dbraw/zinc/12/60/27/502126027.db2.gz JHSJXHIUZISOIQ-SNVBAGLBSA-N -1 3 366.405 3.338 20 0 FGADHM O=C(CCCc1ccc([O-])c(F)c1)Nc1ccccc1Cn1cncn1 ZINC000468629283 502130637 /nfs/dbraw/zinc/13/06/37/502130637.db2.gz UHRHDOBWZIJCHO-UHFFFAOYSA-N -1 3 354.385 3.133 20 0 FGADHM CCOC(=O)Cc1csc(NC(=O)c2cc([O-])c3ccccc3c2)n1 ZINC000471786651 502136882 /nfs/dbraw/zinc/13/68/82/502136882.db2.gz JDUIKXLDDUTNHD-UHFFFAOYSA-N -1 3 356.403 3.360 20 0 FGADHM COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cc([O-])c2ccccc2c1 ZINC000471793649 502138710 /nfs/dbraw/zinc/13/87/10/502138710.db2.gz PBOLPXCABXMOPC-WBAXXEDZSA-N -1 3 353.418 3.492 20 0 FGADHM [O-]c1cccnc1CNCc1cc(Br)c2c(c1)OCCCO2 ZINC000475334647 502139132 /nfs/dbraw/zinc/13/91/32/502139132.db2.gz OQSQWSIYDAUISF-UHFFFAOYSA-N -1 3 365.227 3.001 20 0 FGADHM COc1ccccc1[C@H](NC(=O)N=c1cc2ccccn2[n-]1)c1ccccn1 ZINC000582564655 506296964 /nfs/dbraw/zinc/29/69/64/506296964.db2.gz ZYUONPSKLPDIBC-FQEVSTJZSA-N -1 3 373.416 3.071 20 0 FGADHM CC[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000464915634 502144562 /nfs/dbraw/zinc/14/45/62/502144562.db2.gz XXXBLACMIVRMKF-OCCSQVGLSA-N -1 3 369.487 3.157 20 0 FGADHM COC[C@@H]1CCCCN(Cc2ccc(OC)c([O-])c2Br)C1 ZINC000468698504 502151217 /nfs/dbraw/zinc/15/12/17/502151217.db2.gz MDBXACLOBVKLSI-GFCCVEGCSA-N -1 3 358.276 3.412 20 0 FGADHM C[C@H](Cc1ccc(Cl)cc1)C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C ZINC000461622414 502155341 /nfs/dbraw/zinc/15/53/41/502155341.db2.gz CIEWOWZPJKGQJZ-LLVKDONJSA-N -1 3 373.840 3.053 20 0 FGADHM CCCCNc1ccccc1C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C ZINC000461622766 502155978 /nfs/dbraw/zinc/15/59/78/502155978.db2.gz FSLKNOKDNFIBFW-UHFFFAOYSA-N -1 3 368.437 3.047 20 0 FGADHM C[N-]S(=O)(=O)c1cc(NC(=O)N2CCC(C)(C(C)C)CC2)ccc1F ZINC000486457887 502159568 /nfs/dbraw/zinc/15/95/68/502159568.db2.gz HLWDURUESZGPRT-UHFFFAOYSA-N -1 3 371.478 3.024 20 0 FGADHM CC[C@H](C)[C@@H]([N-]S(C)(=O)=O)C(=O)Nc1ccc(C(C)(C)CC)cc1 ZINC000468744289 502168377 /nfs/dbraw/zinc/16/83/77/502168377.db2.gz PXYZDBZCLKVDQR-XJKSGUPXSA-N -1 3 354.516 3.277 20 0 FGADHM CCC[C@@H](CC)NC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000471915399 502171070 /nfs/dbraw/zinc/17/10/70/502171070.db2.gz PMROGKVMLJFDBD-GFCCVEGCSA-N -1 3 366.405 3.385 20 0 FGADHM CSc1nnc(NC(=O)c2cc(F)c(Br)cc2Cl)[n-]1 ZINC000475439910 502171339 /nfs/dbraw/zinc/17/13/39/502171339.db2.gz GYLFJKZFYXOWDQ-UHFFFAOYSA-N -1 3 365.615 3.334 20 0 FGADHM CSc1n[n-]c(NC(=O)c2cc(F)c(Br)cc2Cl)n1 ZINC000475439910 502171341 /nfs/dbraw/zinc/17/13/41/502171341.db2.gz GYLFJKZFYXOWDQ-UHFFFAOYSA-N -1 3 365.615 3.334 20 0 FGADHM COc1ccc(S(=O)(=O)[N-][C@](C)(C2CC2)C(F)(F)F)c(C)c1F ZINC000479159882 502179648 /nfs/dbraw/zinc/17/96/48/502179648.db2.gz 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C[C@@H](c1c(F)cccc1F)N(C)C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000483544857 502426775 /nfs/dbraw/zinc/42/67/75/502426775.db2.gz PSEVEDQOTUXZIL-ZETCQYMHSA-N -1 3 363.290 3.004 20 0 FGADHM C[C@@H](c1c(F)cccc1F)N(C)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000483544857 502426777 /nfs/dbraw/zinc/42/67/77/502426777.db2.gz PSEVEDQOTUXZIL-ZETCQYMHSA-N -1 3 363.290 3.004 20 0 FGADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)Nc1ccc(-c2nccs2)cc1 ZINC000479952349 502428796 /nfs/dbraw/zinc/42/87/96/502428796.db2.gz DOSJHDZCGFKTLQ-UHFFFAOYSA-N -1 3 368.344 3.269 20 0 FGADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)Nc1ccc(-c2nccs2)cc1 ZINC000479952349 502428799 /nfs/dbraw/zinc/42/87/99/502428799.db2.gz DOSJHDZCGFKTLQ-UHFFFAOYSA-N -1 3 368.344 3.269 20 0 FGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)Nc1ccc(-c2nccs2)cc1 ZINC000479952349 502428803 /nfs/dbraw/zinc/42/88/03/502428803.db2.gz DOSJHDZCGFKTLQ-UHFFFAOYSA-N -1 3 368.344 3.269 20 0 FGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCOc2c(C)cccc21 ZINC000487404896 502435371 /nfs/dbraw/zinc/43/53/71/502435371.db2.gz VGYDYMPLMNMFFQ-CQSZACIVSA-N -1 3 367.854 3.459 20 0 FGADHM CC(C)(C[N-]S(=O)(=O)c1ccc(Br)cn1)c1ccccc1 ZINC000462436984 502438791 /nfs/dbraw/zinc/43/87/91/502438791.db2.gz NASGUYRHANSIHD-UHFFFAOYSA-N -1 3 369.284 3.100 20 0 FGADHM CCc1cc(C(=O)NCc2ccc(C)nc2-n2cc(Cl)cn2)ccc1[O-] ZINC000487435712 502444328 /nfs/dbraw/zinc/44/43/28/502444328.db2.gz FQXNVRDIJMJTFS-UHFFFAOYSA-N -1 3 370.840 3.427 20 0 FGADHM CCOC(=O)c1ccc(NC(=O)[C@H]2CCN(c3ccccc3)[C@@H]2C)c([O-])c1 ZINC000476317658 502455300 /nfs/dbraw/zinc/45/53/00/502455300.db2.gz YQHZQUOROVDRSK-PBHICJAKSA-N -1 3 368.433 3.422 20 0 FGADHM COc1ccc(Cl)cc1C[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000462521566 502473479 /nfs/dbraw/zinc/47/34/79/502473479.db2.gz PSGBGLYBQFTFHX-UHFFFAOYSA-N -1 3 365.760 3.244 20 0 FGADHM Cn1nc(CCNC(=O)CCCc2ccc([O-])c(F)c2)c2ccccc21 ZINC000469620144 502482567 /nfs/dbraw/zinc/48/25/67/502482567.db2.gz HZKKARKVEXRZDG-UHFFFAOYSA-N -1 3 355.413 3.100 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)c3coc4cc(F)ccc34)[n-]c21 ZINC000476417177 502484637 /nfs/dbraw/zinc/48/46/37/502484637.db2.gz TUWWUWFUFMKFGU-UHFFFAOYSA-N -1 3 353.309 3.487 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3coc4cc(F)ccc34)nc21 ZINC000476417177 502484638 /nfs/dbraw/zinc/48/46/38/502484638.db2.gz TUWWUWFUFMKFGU-UHFFFAOYSA-N -1 3 353.309 3.487 20 0 FGADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2F)c(=O)[nH]1 ZINC000480218137 502505538 /nfs/dbraw/zinc/50/55/38/502505538.db2.gz NSVBIZXLGXRFLK-UHFFFAOYSA-N -1 3 350.293 3.054 20 0 FGADHM CCOC(=O)[C@@H](CC)N(Cc1nc2c3ccccc3oc2c(=O)[n-]1)C1CC1 ZINC000469699667 502506207 /nfs/dbraw/zinc/50/62/07/502506207.db2.gz GYOZLBKCFADOQV-CQSZACIVSA-N -1 3 369.421 3.388 20 0 FGADHM COc1ccc([C@H](OC)[C@@H](C)[N-]S(=O)(=O)c2c(C)cccc2F)cc1 ZINC000476532177 502516629 /nfs/dbraw/zinc/51/66/29/502516629.db2.gz IMAVSKWWEVMUBU-CXAGYDPISA-N -1 3 367.442 3.197 20 0 FGADHM CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2cccc(Cl)c2F)C12CCCC2 ZINC000462663442 502526841 /nfs/dbraw/zinc/52/68/41/502526841.db2.gz MXYNIFBUEMAIEY-KGLIPLIRSA-N -1 3 361.866 3.495 20 0 FGADHM CCC[C@H]([N-]S(=O)(=O)C[C@H](C)c1ccccc1)C(=O)OC(C)(C)C ZINC000462692802 502535545 /nfs/dbraw/zinc/53/55/45/502535545.db2.gz YKSUNQAGHJHTMH-HOCLYGCPSA-N -1 3 355.500 3.220 20 0 FGADHM CC(C)c1nc([C@H](C)NCc2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)cs1 ZINC000469779437 502542638 /nfs/dbraw/zinc/54/26/38/502542638.db2.gz JOBODCYIWCVKQP-BUXKBTBVSA-N -1 3 372.494 3.172 20 0 FGADHM Cc1cccc(NC(=O)c2ccccc2[N-]S(=O)(=O)N2CC[C@H](C)C2)c1 ZINC000476626839 502544076 /nfs/dbraw/zinc/54/40/76/502544076.db2.gz LFZUDRNTABHPHT-HNNXBMFYSA-N -1 3 373.478 3.246 20 0 FGADHM O=C(N[C@@H]1CSc2ccc(Br)cc21)c1csc(=O)[n-]1 ZINC000473227347 502547171 /nfs/dbraw/zinc/54/71/71/502547171.db2.gz YKWNPSNQWPFMCS-MRVPVSSYSA-N -1 3 357.254 3.188 20 0 FGADHM CCc1nn(-c2ccccc2)c(CC)c1CNC(=O)c1csc(=O)[n-]1 ZINC000473256607 502552763 /nfs/dbraw/zinc/55/27/63/502552763.db2.gz RQWTWLZMTPIJSS-UHFFFAOYSA-N -1 3 356.451 3.089 20 0 FGADHM CCCCc1nc(C(=O)OCC)c(NC(=O)C[C@H]2CCC[C@@H](OC)C2)[n-]1 ZINC000484075749 502562482 /nfs/dbraw/zinc/56/24/82/502562482.db2.gz SACDWMXIWAEHQE-UONOGXRCSA-N -1 3 365.474 3.463 20 0 FGADHM CCCCc1nc(NC(=O)C[C@H]2CCC[C@@H](OC)C2)c(C(=O)OCC)[n-]1 ZINC000484075749 502562486 /nfs/dbraw/zinc/56/24/86/502562486.db2.gz SACDWMXIWAEHQE-UONOGXRCSA-N -1 3 365.474 3.463 20 0 FGADHM CO[C@@H]1CN(C(=O)c2ccc(C(=O)c3cccc([O-])c3)cc2)CC[C@@H]1C ZINC000469877579 502580122 /nfs/dbraw/zinc/58/01/22/502580122.db2.gz AVJPGMVOOGWLSG-IFXJQAMLSA-N -1 3 353.418 3.120 20 0 FGADHM CCOc1nc2ccc(C(=O)Nc3ccccc3C[S@@](C)=O)cc2[n-]1 ZINC000469883369 502583693 /nfs/dbraw/zinc/58/36/93/502583693.db2.gz XQEBCJVUNMXMDM-RUZDIDTESA-N -1 3 357.435 3.092 20 0 FGADHM CCOc1nc2cc(C(=O)Nc3ccccc3C[S@@](C)=O)ccc2[n-]1 ZINC000469883369 502583698 /nfs/dbraw/zinc/58/36/98/502583698.db2.gz XQEBCJVUNMXMDM-RUZDIDTESA-N -1 3 357.435 3.092 20 0 FGADHM CC(C)c1cc(C(=O)N2CCN(C[C@H](C)O)C[C@@H]2C)c([O-])c(C(C)C)c1 ZINC000476841091 502599153 /nfs/dbraw/zinc/59/91/53/502599153.db2.gz FVLLZANEQQWLCY-HOTGVXAUSA-N -1 3 362.514 3.166 20 0 FGADHM CCn1c(NC(=O)c2c[n-]nc2-c2ccc(OC)cc2)nc2cccnc21 ZINC000476856719 502603851 /nfs/dbraw/zinc/60/38/51/502603851.db2.gz VKCREOCAKMFLGC-UHFFFAOYSA-N -1 3 362.393 3.102 20 0 FGADHM COCCC[C@H](Cc1ccccc1)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000473510494 502616773 /nfs/dbraw/zinc/61/67/73/502616773.db2.gz FSPWBZYQSCVJQT-QGZVFWFLSA-N -1 3 364.445 3.296 20 0 FGADHM Cc1ccc([N-]S(=O)(=O)c2ccc3ncccc3c2)c(CN(C)C)c1 ZINC000476911845 502618558 /nfs/dbraw/zinc/61/85/58/502618558.db2.gz XEQRCOIFVCCOCW-UHFFFAOYSA-N -1 3 355.463 3.406 20 0 FGADHM COc1ncnc(OC)c1C(=O)[N-]c1nc(-c2ccc(F)c(C)c2)cs1 ZINC000476929762 502624229 /nfs/dbraw/zinc/62/42/29/502624229.db2.gz VCGPZNXLVRJKQU-UHFFFAOYSA-N -1 3 374.397 3.317 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)[C@@H]3CCc4cccc(OC)c43)[n-]c21 ZINC000484415206 502640407 /nfs/dbraw/zinc/64/04/07/502640407.db2.gz LNWSMQIHSXWXDO-GFCCVEGCSA-N -1 3 365.389 3.027 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@@H]3CCc4cccc(OC)c43)nc21 ZINC000484415206 502640412 /nfs/dbraw/zinc/64/04/12/502640412.db2.gz LNWSMQIHSXWXDO-GFCCVEGCSA-N -1 3 365.389 3.027 20 0 FGADHM C[C@@H]1CCC[C@@H](C)N1CCNC(=O)c1ccc(Br)c([O-])c1 ZINC000488268723 502674747 /nfs/dbraw/zinc/67/47/47/502674747.db2.gz OVMBZQWNTNMKQQ-VXGBXAGGSA-N -1 3 355.276 3.147 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]Cc2ccccc2N(C)C)c(Cl)cc1F ZINC000477119627 502683346 /nfs/dbraw/zinc/68/33/46/502683346.db2.gz MNFLLMPJKMCFIY-UHFFFAOYSA-N -1 3 356.850 3.332 20 0 FGADHM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)[C@H]1CCCN1Cc1ccccc1 ZINC000477129395 502686523 /nfs/dbraw/zinc/68/65/23/502686523.db2.gz YYBPOLVCKRESRH-LJQANCHMSA-N -1 3 362.433 3.385 20 0 FGADHM CCc1cc(C(=O)N[C@H](C)[C@@H](Cc2ccccc2)C(=O)OC)ccc1[O-] ZINC000488355091 502691299 /nfs/dbraw/zinc/69/12/99/502691299.db2.gz RFRZCRVUHHDXRC-RDTXWAMCSA-N -1 3 355.434 3.105 20 0 FGADHM Cc1nc(-c2ccc(C[N-]S(=O)(=O)c3ccc(F)c(F)c3)o2)cs1 ZINC000477152993 502692612 /nfs/dbraw/zinc/69/26/12/502692612.db2.gz WJHCTRWMMPYPRC-UHFFFAOYSA-N -1 3 370.402 3.468 20 0 FGADHM O=S(=O)([N-][C@@H]1[C@@H]2Cc3ccccc3[C@@H]21)c1cc(C(F)(F)F)ccc1F ZINC000477159219 502694562 /nfs/dbraw/zinc/69/45/62/502694562.db2.gz VNXFAIQXRVIHQY-UHOFOFEASA-N -1 3 371.355 3.461 20 0 FGADHM C[C@@H](C(=O)[N-]Cc1nnc2c(Cl)cc(C(F)(F)F)cn12)C(F)(F)F ZINC000463135533 502703722 /nfs/dbraw/zinc/70/37/22/502703722.db2.gz CFHUOHIXARYJRX-YFKPBYRVSA-N -1 3 374.672 3.216 20 0 FGADHM Cc1ccc(CS(=O)(=O)[N-]CC(=O)c2ccccc2Cl)c(F)c1 ZINC000480929907 502707338 /nfs/dbraw/zinc/70/73/38/502707338.db2.gz RBYQTXJKEKBNEB-UHFFFAOYSA-N -1 3 355.818 3.090 20 0 FGADHM COc1c(=O)[n-]c(=O)[nH]c1C(=O)Nc1ccccc1SC1CCCC1 ZINC000477215840 502709141 /nfs/dbraw/zinc/70/91/41/502709141.db2.gz BOJOXGNERDFZSL-UHFFFAOYSA-N -1 3 361.423 3.183 20 0 FGADHM CC(C)c1cc(C(=O)NCC2(S(C)(=O)=O)CCC2)c([O-])c(C(C)C)c1 ZINC000477240783 502716473 /nfs/dbraw/zinc/71/64/73/502716473.db2.gz SKXWWGMDHJLIKQ-UHFFFAOYSA-N -1 3 367.511 3.336 20 0 FGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CCCc3ccc(F)cc32)s1 ZINC000480980608 502718735 /nfs/dbraw/zinc/71/87/35/502718735.db2.gz NAOXCQNOCZEAKO-ZDUSSCGKSA-N -1 3 369.439 3.030 20 0 FGADHM Cc1ccc([C@H]2OCCC[C@@H]2NC(=O)c2cc(=O)c3ccccc3[n-]2)cc1 ZINC000470271938 502720772 /nfs/dbraw/zinc/72/07/72/502720772.db2.gz XNVDEHUZNAEDAS-GHTZIAJQSA-N -1 3 362.429 3.487 20 0 FGADHM COC(=O)c1ccc(C(=O)Nc2ccc(Br)c(Cl)c2)[n-]1 ZINC000484721412 502720797 /nfs/dbraw/zinc/72/07/97/502720797.db2.gz RHGFPCXKSOZACJ-UHFFFAOYSA-N -1 3 357.591 3.470 20 0 FGADHM CCS[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC000480994125 502722991 /nfs/dbraw/zinc/72/29/91/502722991.db2.gz WPTGYKPWSYEBAD-MNOVXSKESA-N -1 3 354.419 3.053 20 0 FGADHM CCS[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)cn2)C1 ZINC000480993354 502723115 /nfs/dbraw/zinc/72/31/15/502723115.db2.gz WZOFYKQSNPKXKI-NEPJUHHUSA-N -1 3 368.446 3.443 20 0 FGADHM O=C(C[C@@H](c1ccccc1)C(F)(F)F)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000473855737 502727602 /nfs/dbraw/zinc/72/76/02/502727602.db2.gz JPBKRGVOSVSQTC-GXTWGEPZSA-N -1 3 353.344 3.358 20 0 FGADHM C/C=C\C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)OCC ZINC000463231503 502729178 /nfs/dbraw/zinc/72/91/78/502729178.db2.gz UYINPPDOBGQARE-FHMRSRPSSA-N -1 3 366.266 3.170 20 0 FGADHM COC(=O)c1sc2[n-]c(Cc3c[nH]c4cc(F)ccc34)nc(=O)c2c1C ZINC000463237541 502732246 /nfs/dbraw/zinc/73/22/46/502732246.db2.gz WIGZEKISXRORLV-UHFFFAOYSA-N -1 3 371.393 3.291 20 0 FGADHM C[C@H](C1CC1)n1nccc1NC(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000484758536 502732651 /nfs/dbraw/zinc/73/26/51/502732651.db2.gz OEJFXVMELFVJLS-SECBINFHSA-N -1 3 358.348 3.226 20 0 FGADHM C[C@H](C1CC1)n1nccc1NC(=O)c1cnc2c(F)cc(F)cc2c1[O-] ZINC000484758536 502732655 /nfs/dbraw/zinc/73/26/55/502732655.db2.gz OEJFXVMELFVJLS-SECBINFHSA-N -1 3 358.348 3.226 20 0 FGADHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@H](C)CCCC(C)C)s1 ZINC000484773685 502736850 /nfs/dbraw/zinc/73/68/50/502736850.db2.gz AETXAWSQJFDQQZ-LLVKDONJSA-N -1 3 363.501 3.036 20 0 FGADHM COc1ccc(CC[C@@H](C)[N-]S(=O)(=O)c2ccc(OC)cc2F)cc1 ZINC000481055046 502742001 /nfs/dbraw/zinc/74/20/01/502742001.db2.gz HLJFRWXIDKSHNW-CYBMUJFWSA-N -1 3 367.442 3.143 20 0 FGADHM CCCC[C@@H](CCC)[N-]S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC000484797876 502742215 /nfs/dbraw/zinc/74/22/15/502742215.db2.gz PRFKIASQGVXXPP-CYBMUJFWSA-N -1 3 356.463 3.348 20 0 FGADHM COc1ccc(S(=O)(=O)[N-][C@@H](C)c2c(F)cccc2OC)c(F)c1 ZINC000481061228 502744293 /nfs/dbraw/zinc/74/42/93/502744293.db2.gz OYXIAUXZOWHLAF-JTQLQIEISA-N -1 3 357.378 3.022 20 0 FGADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCN(Cc3ccccc3)C2)sc1Cl ZINC000473910017 502746080 /nfs/dbraw/zinc/74/60/80/502746080.db2.gz DWJDCHRHCMSMLF-CQSZACIVSA-N -1 3 370.927 3.263 20 0 FGADHM C[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl)CN1CCCC1 ZINC000473910187 502746283 /nfs/dbraw/zinc/74/62/83/502746283.db2.gz KLWHAXMIOVBCCR-JTQLQIEISA-N -1 3 369.289 3.143 20 0 FGADHM CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000463330904 502759658 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CC(=O)Nc1ncc(S(=O)(=O)[N-][C@H](CCC(C)C)C(C)(C)C)s1 ZINC000553837194 505022465 /nfs/dbraw/zinc/02/24/65/505022465.db2.gz ZIVAVLUHDZYNHC-GFCCVEGCSA-N -1 3 361.533 3.231 20 0 FGADHM Cc1ccc(Cl)c(O[C@@H](C)C(=O)[N-]c2ncnn2-c2ccccc2)c1 ZINC000565915601 505025536 /nfs/dbraw/zinc/02/55/36/505025536.db2.gz DTGZKDHMVOPEEN-ZDUSSCGKSA-N -1 3 356.813 3.057 20 0 FGADHM O=C(NC[C@@H](CO)Cc1c(F)cccc1Cl)c1cc([O-])ccc1Cl ZINC000560250494 505029371 /nfs/dbraw/zinc/02/93/71/505029371.db2.gz FLTWCMLCNMAJOG-JTQLQIEISA-N -1 3 372.223 3.419 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)CCC1CCCC1)c1nc(-c2cccc(F)c2)no1 ZINC000560266468 505034235 /nfs/dbraw/zinc/03/42/35/505034235.db2.gz SFRORVHUKQHYMI-GFCCVEGCSA-N -1 3 367.446 3.436 20 0 FGADHM C[C@H]1CC[C@H](C(=O)[O-])CN1CC(=O)N(Cc1cccc(F)c1)C(C)(C)C ZINC000563123078 505054392 /nfs/dbraw/zinc/05/43/92/505054392.db2.gz CBXMAYARXGRIIW-HOCLYGCPSA-N -1 3 364.461 3.138 20 0 FGADHM CC[C@@H](C)[C@@H](C(=O)N=c1[n-]n(C)cc1Br)c1ccccc1 ZINC000563174216 505066302 /nfs/dbraw/zinc/06/63/02/505066302.db2.gz DQHJKJXATCCXSB-BXUZGUMPSA-N -1 3 350.260 3.373 20 0 FGADHM Cn1cc(Br)c(=NC(=O)c2ccc(OC(C)(C)C)cc2)[n-]1 ZINC000563176996 505067927 /nfs/dbraw/zinc/06/79/27/505067927.db2.gz WURLNSZXFUHPKW-UHFFFAOYSA-N -1 3 352.232 3.034 20 0 FGADHM Cc1nc(-c2ccc(NC(=O)NC[C@@H]3CCOC(C)(C)C3)cc2)cc(=O)[n-]1 ZINC000560395510 505070639 /nfs/dbraw/zinc/07/06/39/505070639.db2.gz DNCUQQCXGZEQSF-CQSZACIVSA-N -1 3 370.453 3.484 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)NC[C@@H]3CC34CCSCC4)c[n-]c12 ZINC000566082501 505074923 /nfs/dbraw/zinc/07/49/23/505074923.db2.gz WCIIWUAXHHPUHS-LBPRGKRZSA-N -1 3 360.454 3.239 20 0 FGADHM Cc1sc(NC[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)nc1C(=O)[O-] ZINC000563207789 505076721 /nfs/dbraw/zinc/07/67/21/505076721.db2.gz XBTNPPZATUPCME-LBPRGKRZSA-N -1 3 373.400 3.305 20 0 FGADHM CCc1ccc([C@@H]2CCCN(C(=O)CNC(=O)c3ccc([O-])cc3)C2)cc1 ZINC000557142227 505077320 /nfs/dbraw/zinc/07/73/20/505077320.db2.gz ABEWKFACTYURJQ-LJQANCHMSA-N -1 3 366.461 3.091 20 0 FGADHM Cn1[n-]c(=NC(=O)NC[C@H]2CCC[C@H]2c2ccccc2)cc1OC(F)F ZINC000560420997 505078762 /nfs/dbraw/zinc/07/87/62/505078762.db2.gz WPJQWBDEDYELFB-KGLIPLIRSA-N -1 3 364.396 3.149 20 0 FGADHM COc1ccc(CN2C[C@@H](C(=O)Nc3c([O-])cccc3Cl)CC2=O)cc1 ZINC000557182103 505086766 /nfs/dbraw/zinc/08/67/66/505086766.db2.gz JYFFSQNIUDOICK-ZDUSSCGKSA-N -1 3 374.824 3.041 20 0 FGADHM CC(C)[C@H](CCc1ccccc1)C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000550830305 505111308 /nfs/dbraw/zinc/11/13/08/505111308.db2.gz IDMRQVKCENNQMV-IBGZPJMESA-N -1 3 363.465 3.388 20 0 FGADHM CC(C)[C@H](CCc1ccccc1)C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000550830305 505111317 /nfs/dbraw/zinc/11/13/17/505111317.db2.gz IDMRQVKCENNQMV-IBGZPJMESA-N -1 3 363.465 3.388 20 0 FGADHM Cc1ccc(-c2nc(C(=O)N=c3[nH][n-]cc3Br)cs2)cc1 ZINC000560552924 505124738 /nfs/dbraw/zinc/12/47/38/505124738.db2.gz ZCQISSYHFQMPRX-UHFFFAOYSA-N -1 3 363.240 3.278 20 0 FGADHM Cc1ccc2[n-]cc(C(=O)N[C@@H](c3nccn3C)c3ccccc3)c(=O)c2c1 ZINC000557397522 505125103 /nfs/dbraw/zinc/12/51/03/505125103.db2.gz SQHSVUSEEFIWQP-LJQANCHMSA-N -1 3 372.428 3.089 20 0 FGADHM Cc1ccc2[n-]cc(C(=O)N3CCC[C@H]3[C@@H]3CCCCC3=O)c(=O)c2c1 ZINC000557426347 505131814 /nfs/dbraw/zinc/13/18/14/505131814.db2.gz YHEQUMLEWFWXOY-KSSFIOAISA-N -1 3 352.434 3.200 20 0 FGADHM O=S(=O)([N-]CCCc1cccs1)c1cccnc1C(F)(F)F ZINC000557432707 505134090 /nfs/dbraw/zinc/13/40/90/505134090.db2.gz OCJASMOUIOZYOW-UHFFFAOYSA-N -1 3 350.387 3.073 20 0 FGADHM CN(C)Cc1ccc(S(=O)(=O)[N-]c2cc(C3CCCCC3)[nH]n2)cc1 ZINC000551018862 505143610 /nfs/dbraw/zinc/14/36/10/505143610.db2.gz RWUNLNHXPBQOQQ-UHFFFAOYSA-N -1 3 362.499 3.320 20 0 FGADHM C[C@H](O)[C@@H]([N-]S(=O)(=O)Cc1ccccc1Cl)c1ccccc1F ZINC000566338509 505147942 /nfs/dbraw/zinc/14/79/42/505147942.db2.gz QMZRLQDDVZKLTI-MEDUHNTESA-N -1 3 357.834 3.021 20 0 FGADHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]Cc1cccc(C(C)C)c1 ZINC000566344163 505149802 /nfs/dbraw/zinc/14/98/02/505149802.db2.gz OVTRWYNTVKAODB-UHFFFAOYSA-N -1 3 365.451 3.285 20 0 FGADHM O=C([O-])c1ccc(Br)cc1CN1CCC[C@H]2COCC[C@@H]21 ZINC000566363597 505153863 /nfs/dbraw/zinc/15/38/63/505153863.db2.gz PNLCVFCFOLJLDW-NHYWBVRUSA-N -1 3 354.244 3.148 20 0 FGADHM O=C([O-])[C@@H]1CCO[C@H]1C1CCN(Cc2cc(-c3ccccc3)no2)CC1 ZINC000566366478 505154279 /nfs/dbraw/zinc/15/42/79/505154279.db2.gz CKHAKKSZEBTDSZ-MJGOQNOKSA-N -1 3 356.422 3.043 20 0 FGADHM FC(F)(F)c1nc(=Nc2ccc(CCN3CCSCC3)cc2)s[n-]1 ZINC000557533722 505159292 /nfs/dbraw/zinc/15/92/92/505159292.db2.gz FIKCUFROAQUDOI-UHFFFAOYSA-N -1 3 374.457 3.314 20 0 FGADHM O=C(N=c1cc2ccccn2[n-]1)N[C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000554411205 505168786 /nfs/dbraw/zinc/16/87/86/505168786.db2.gz VALFEKPUIBZCKP-CABCVRRESA-N -1 3 371.238 3.196 20 0 FGADHM CCO[C@H](C)c1ncc(C(=O)[N-]c2ncc(C(=O)OC)cc2Cl)s1 ZINC000566422776 505170994 /nfs/dbraw/zinc/17/09/94/505170994.db2.gz RSHYZRKMIVRCJT-MRVPVSSYSA-N -1 3 369.830 3.328 20 0 FGADHM CCc1nc([C@H](C)[N-]S(=O)(=O)c2cc(C(C)C)ccc2Cl)n[nH]1 ZINC000551209823 505178448 /nfs/dbraw/zinc/17/84/48/505178448.db2.gz ZMQBKLBKZADASG-JTQLQIEISA-N -1 3 356.879 3.183 20 0 FGADHM CCOc1ccncc1S(=O)(=O)[N-]C1CCC(c2ccccc2)CC1 ZINC000563568693 505179286 /nfs/dbraw/zinc/17/92/86/505179286.db2.gz UGLDLPQVHCCKDQ-UHFFFAOYSA-N -1 3 360.479 3.485 20 0 FGADHM O=C(NC[C@@H](Cc1ccccc1)C(F)(F)F)c1cc(=O)[n-]c(C2CC2)n1 ZINC000566451543 505180249 /nfs/dbraw/zinc/18/02/49/505180249.db2.gz DCRFSEDOCYTJFD-CYBMUJFWSA-N -1 3 365.355 3.211 20 0 FGADHM COc1ccc(C(=O)N=c2[nH][n-]c(C)c2-c2ccccc2)c(C)c1OC ZINC000554472155 505181243 /nfs/dbraw/zinc/18/12/43/505181243.db2.gz BHJNWUUERIROKZ-UHFFFAOYSA-N -1 3 351.406 3.385 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@@H](C)n2ccc3ccccc3c2=O)c1-c1ccccc1 ZINC000554472195 505181358 /nfs/dbraw/zinc/18/13/58/505181358.db2.gz HWTQUYFEDMTWOY-OAHLLOKOSA-N -1 3 372.428 3.322 20 0 FGADHM CC1(NC(=O)Cc2csc(NC(=O)c3cccc([O-])c3)n2)CCCC1 ZINC000557624612 505184980 /nfs/dbraw/zinc/18/49/80/505184980.db2.gz FUUSKTYRACTRFT-UHFFFAOYSA-N -1 3 359.451 3.092 20 0 FGADHM CO[C@H](C)c1noc(CCc2nc(-c3ccc([O-])c4ccccc34)no2)n1 ZINC000551256558 505185997 /nfs/dbraw/zinc/18/59/97/505185997.db2.gz NWNGQTLUJIRSGG-LLVKDONJSA-N -1 3 366.377 3.471 20 0 FGADHM O=S(=O)([N-]CCNc1ccnc2c(Cl)cccc12)c1cccs1 ZINC000557633097 505188581 /nfs/dbraw/zinc/18/85/81/505188581.db2.gz OPQTWADZTIJMIZ-UHFFFAOYSA-N -1 3 367.883 3.340 20 0 FGADHM O=c1cc(C[S@](=O)c2cccc(Br)c2)nc(C2CC2)[n-]1 ZINC000563607542 505191487 /nfs/dbraw/zinc/19/14/87/505191487.db2.gz CXFJJPUAQDFHPC-FQEVSTJZSA-N -1 3 353.241 3.130 20 0 FGADHM Cn1[n-]c(=NC(=O)N[C@@H]2CC[C@H](c3cccc(F)c3)C2)cc1OC(F)F ZINC000563631689 505197328 /nfs/dbraw/zinc/19/73/28/505197328.db2.gz PMNNXADYDAPSQX-WCQYABFASA-N -1 3 368.359 3.040 20 0 FGADHM O=C(Nc1nnc(-c2cc3ccccc3o2)[n-]1)C1(c2ccccc2)CC(=O)C1 ZINC000563658966 505203631 /nfs/dbraw/zinc/20/36/31/505203631.db2.gz YOTPCGQAHROGOJ-UHFFFAOYSA-N -1 3 372.384 3.457 20 0 FGADHM O=C(Nc1nc(-c2cc3ccccc3o2)n[n-]1)C1(c2ccccc2)CC(=O)C1 ZINC000563658966 505203634 /nfs/dbraw/zinc/20/36/34/505203634.db2.gz YOTPCGQAHROGOJ-UHFFFAOYSA-N -1 3 372.384 3.457 20 0 FGADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)C1(c2ccccc2)CC(=O)C1 ZINC000563658966 505203639 /nfs/dbraw/zinc/20/36/39/505203639.db2.gz YOTPCGQAHROGOJ-UHFFFAOYSA-N -1 3 372.384 3.457 20 0 FGADHM CCOc1ccncc1S(=O)(=O)[N-][C@H]1CC[C@H](c2cccc(F)c2)C1 ZINC000566602481 505218965 /nfs/dbraw/zinc/21/89/65/505218965.db2.gz XWNQBQBJWRQOKD-HOCLYGCPSA-N -1 3 364.442 3.234 20 0 FGADHM O=C(c1c[n-]c2c(F)cc(F)cc2c1=O)N1CCC=C(c2ccncc2)C1 ZINC000557745254 505220013 /nfs/dbraw/zinc/22/00/13/505220013.db2.gz PKWNPCGCAPWVRW-UHFFFAOYSA-N -1 3 367.355 3.131 20 0 FGADHM CC(C)c1ccccc1N(C)C(=O)CCn1[n-]c(=O)c2ccccc2c1=O ZINC000566612760 505221913 /nfs/dbraw/zinc/22/19/13/505221913.db2.gz QNBVGVVANHYHAS-UHFFFAOYSA-N -1 3 365.433 3.279 20 0 FGADHM Cc1n[n-]c(=NCc2cc(Cl)ccc2OC[C@@H]2CCCO2)n1C1CC1 ZINC000551452637 505229933 /nfs/dbraw/zinc/22/99/33/505229933.db2.gz VIRQCMMQMKZLAG-INIZCTEOSA-N -1 3 362.861 3.167 20 0 FGADHM Cc1cc(C[N-]S(=O)(=O)c2cc(C(C)C)ccc2Cl)nc(C)n1 ZINC000551481880 505235059 /nfs/dbraw/zinc/23/50/59/505235059.db2.gz AESCEBRAWRGLLU-UHFFFAOYSA-N -1 3 353.875 3.349 20 0 FGADHM COc1ccc(S(=O)(=O)[N-][C@@H](C)CCOCc2ccccc2)c(F)c1 ZINC000557863110 505249190 /nfs/dbraw/zinc/24/91/90/505249190.db2.gz JPNJWTRRFMHNLD-AWEZNQCLSA-N -1 3 367.442 3.108 20 0 FGADHM CC(C)n1cc(C(=O)N=c2cc(-c3cc(Cl)cc(Cl)c3)[n-][nH]2)nn1 ZINC000551546852 505249567 /nfs/dbraw/zinc/24/95/67/505249567.db2.gz USYVRZUGYPFLTR-UHFFFAOYSA-N -1 3 365.224 3.230 20 0 FGADHM CCOc1cc(CN2CC[C@H](O)CC23CCC3)cc(Br)c1[O-] ZINC000563880771 505265584 /nfs/dbraw/zinc/26/55/84/505265584.db2.gz GWQMCZZYPDPPGF-ZDUSSCGKSA-N -1 3 370.287 3.433 20 0 FGADHM Cc1c(C(=O)N=c2cc3ccccn3[n-]2)cnn1-c1ccccc1Cl ZINC000561155202 505266292 /nfs/dbraw/zinc/26/62/92/505266292.db2.gz XDMOQHQQVWBVFR-UHFFFAOYSA-N -1 3 351.797 3.156 20 0 FGADHM CN(C)c1nc(-c2nc(Cc3cc(Cl)ccc3Cl)no2)cc(=O)[n-]1 ZINC000554804053 505268489 /nfs/dbraw/zinc/26/84/89/505268489.db2.gz COEFSAMEBLEOME-UHFFFAOYSA-N -1 3 366.208 3.196 20 0 FGADHM O=C1C[C@H](c2noc(CCCc3ccc([O-])c(F)c3)n2)CN1CC1CCC1 ZINC000554815924 505272064 /nfs/dbraw/zinc/27/20/64/505272064.db2.gz DSUDHSLTZYAYEG-HNNXBMFYSA-N -1 3 373.428 3.206 20 0 FGADHM O=C(NCCc1cn2c(n1)CCCC2)c1c([O-])cnc2ccc(Cl)cc21 ZINC000554834166 505275477 /nfs/dbraw/zinc/27/54/77/505275477.db2.gz CXYQSFKLZIXVNQ-UHFFFAOYSA-N -1 3 370.840 3.099 20 0 FGADHM Cc1ccc2c(CN[C@H](c3cnn(C)c3)C(F)(F)F)ccc([O-])c2n1 ZINC000554838828 505276586 /nfs/dbraw/zinc/27/65/86/505276586.db2.gz ABDSKHSCTBNCLU-MRXNPFEDSA-N -1 3 350.344 3.376 20 0 FGADHM Cc1ccc2[n-]cc(C(=O)N3CCc4ccc(F)c(F)c4C3)c(=O)c2c1 ZINC000561227505 505286648 /nfs/dbraw/zinc/28/66/48/505286648.db2.gz FOWLDUXUYDSVAP-UHFFFAOYSA-N -1 3 354.356 3.313 20 0 FGADHM CCN(C)C(=O)c1cccc(NC(=O)c2cc(-c3ccc(C)o3)[n-]n2)c1 ZINC000558046730 505295877 /nfs/dbraw/zinc/29/58/77/505295877.db2.gz IJPFALZCRLNKBC-UHFFFAOYSA-N -1 3 352.394 3.322 20 0 FGADHM CCN(C)C(=O)c1cccc(NC(=O)c2cc(-c3ccc(C)o3)n[n-]2)c1 ZINC000558046730 505295881 /nfs/dbraw/zinc/29/58/81/505295881.db2.gz IJPFALZCRLNKBC-UHFFFAOYSA-N -1 3 352.394 3.322 20 0 FGADHM O=S(=O)([N-]Cc1ccccc1OC1CCC1)c1ccc(F)cc1F ZINC000558249307 505344170 /nfs/dbraw/zinc/34/41/70/505344170.db2.gz APCFZULCYYDFOZ-UHFFFAOYSA-N -1 3 353.390 3.375 20 0 FGADHM C[C@@H](CNC(=O)C(=O)[N-]c1nccn1-c1ccccc1)C1CCCCC1 ZINC000564230555 505358672 /nfs/dbraw/zinc/35/86/72/505358672.db2.gz STKMKOWWOPWLTJ-HNNXBMFYSA-N -1 3 354.454 3.143 20 0 FGADHM CC1(C)CCC[C@@H]1c1nc(-c2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)no1 ZINC000567082849 505358694 /nfs/dbraw/zinc/35/86/94/505358694.db2.gz XDFPNFCPHFUACX-YJYMSZOUSA-N -1 3 354.410 3.085 20 0 FGADHM O=S(=O)([N-]Cc1ccoc1)c1cc(Br)cc2cccnc21 ZINC000561496251 505361298 /nfs/dbraw/zinc/36/12/98/505361298.db2.gz NFDFNHKTHUVNME-UHFFFAOYSA-N -1 3 367.224 3.069 20 0 FGADHM C[C@H]1Oc2ccccc2[C@@H]1[N-]S(=O)(=O)c1ccccc1OC(F)(F)F ZINC000564246076 505361633 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CC[C@H](CSC)[N-]S(=O)(=O)c1c(OC)cccc1OC(F)(F)F ZINC000599270911 506392402 /nfs/dbraw/zinc/39/24/02/506392402.db2.gz AQQLPKZZDXQLJJ-SECBINFHSA-N -1 3 373.418 3.014 20 0 FGADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]CCCCC2CCCC2)c(F)c1 ZINC000608048196 506395790 /nfs/dbraw/zinc/39/57/90/506395790.db2.gz SLXBFLZEMIDSCM-UHFFFAOYSA-N -1 3 356.463 3.423 20 0 FGADHM O=C(C[C@H]1CCCN1C(=O)c1ccc2[nH][n-]c(=O)c2c1)c1cccs1 ZINC000612043354 506406546 /nfs/dbraw/zinc/40/65/46/506406546.db2.gz GIWIEUJDRPXFFB-GFCCVEGCSA-N -1 3 355.419 3.208 20 0 FGADHM CCC(F)(F)C(C)(C)C[N-]S(=O)(=O)c1c(C)csc1C(=O)OC ZINC000599445247 506459714 /nfs/dbraw/zinc/45/97/14/506459714.db2.gz NBUUVAKGVUVKQQ-UHFFFAOYSA-N -1 3 369.455 3.193 20 0 FGADHM Cc1nc(S(=O)(=O)[N-]CC2(c3ccc(Cl)cc3)CCCC2)cn1C ZINC000589168268 506468353 /nfs/dbraw/zinc/46/83/53/506468353.db2.gz WIFNPNWPEAUASZ-UHFFFAOYSA-N -1 3 367.902 3.172 20 0 FGADHM O=C(Nc1cccc(C[S@@](=O)C2CCCCC2)c1)c1cc(=O)[n-]cn1 ZINC000599525648 506485808 /nfs/dbraw/zinc/48/58/08/506485808.db2.gz 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ZINC000589436387 506548548 /nfs/dbraw/zinc/54/85/48/506548548.db2.gz JRXDMXMOCOEXII-UHFFFAOYSA-N -1 3 360.435 3.387 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)c1-c1cccc(Cl)c1 ZINC000608469436 506578164 /nfs/dbraw/zinc/57/81/64/506578164.db2.gz DMDLWUKVQMCCDM-ZDUSSCGKSA-N -1 3 374.872 3.046 20 0 FGADHM CCc1[n-][nH]c(=NC(=O)[C@@H](C)c2ccco2)c1-c1ccc2c(c1)OCO2 ZINC000608482523 506583692 /nfs/dbraw/zinc/58/36/92/506583692.db2.gz FTYYWTSXBCUPTF-NSHDSACASA-N -1 3 353.378 3.125 20 0 FGADHM CCC[C@@H](OCC)C(=O)Nc1cc(I)ccc1[O-] ZINC000599712078 506597292 /nfs/dbraw/zinc/59/72/92/506597292.db2.gz NFYNSJGVIDTAJX-GFCCVEGCSA-N -1 3 363.195 3.141 20 0 FGADHM COc1ccc2c(c1)[n-]cc(C(=O)Nc1cccc(-c3cnco3)c1)c2=O ZINC000589688672 506630205 /nfs/dbraw/zinc/63/02/05/506630205.db2.gz UJZIKLSGZJOBES-UHFFFAOYSA-N -1 3 361.357 3.444 20 0 FGADHM COc1ccc2c(c1)ncc(C(=O)Nc1cccc(-c3cnco3)c1)c2[O-] ZINC000589688672 506630209 /nfs/dbraw/zinc/63/02/09/506630209.db2.gz UJZIKLSGZJOBES-UHFFFAOYSA-N -1 3 361.357 3.444 20 0 FGADHM O=C(CNC(=O)c1ccc([O-])cc1)N1CCC[C@@H]1c1ccccc1Cl ZINC000589688799 506630244 /nfs/dbraw/zinc/63/02/44/506630244.db2.gz ZJFXLYGOOAYDIU-QGZVFWFLSA-N -1 3 358.825 3.139 20 0 FGADHM Cc1nc(-c2ccc(NC[C@H]3CCCC[N@@H+]3C3CC3)nc2)[n-]c(=O)c1C ZINC000583181607 506632278 /nfs/dbraw/zinc/63/22/78/506632278.db2.gz VCWQBUNPTPCNBE-QGZVFWFLSA-N -1 3 353.470 3.290 20 0 FGADHM Cc1nc(-c2ccc(NC[C@H]3CCCCN3C3CC3)nc2)[n-]c(=O)c1C ZINC000583181607 506632294 /nfs/dbraw/zinc/63/22/94/506632294.db2.gz VCWQBUNPTPCNBE-QGZVFWFLSA-N -1 3 353.470 3.290 20 0 FGADHM CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)CNC(=O)c1ccc([O-])cc1 ZINC000589692745 506633032 /nfs/dbraw/zinc/63/30/32/506633032.db2.gz IJFQQDMCLZRBTJ-VQTJNVASSA-N -1 3 366.461 3.307 20 0 FGADHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1ccc(CSc2ccccc2)cc1 ZINC000603889390 506649691 /nfs/dbraw/zinc/64/96/91/506649691.db2.gz OZFKXSBPYFIQLL-SFHVURJKSA-N -1 3 367.474 3.221 20 0 FGADHM Cn1cnc(S(=O)(=O)[N-][C@H](CCc2ccccc2)c2ccccc2)c1 ZINC000590066190 506723107 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Cn1cc(OCC(=O)N=c2cc(-c3cc(Cl)cc(Cl)c3)[n-][nH]2)cn1 ZINC000503683615 515116099 /nfs/dbraw/zinc/11/60/99/515116099.db2.gz WGWSINJZJVJFJD-UHFFFAOYSA-N -1 3 366.208 3.135 20 0 FGADHM Cc1n[n-]c(=NC(=O)N[C@@H]2CCN(Cc3ccccc3)CC2(C)C)s1 ZINC000509357314 515139494 /nfs/dbraw/zinc/13/94/94/515139494.db2.gz CHUZEOZXCBHYCF-OAHLLOKOSA-N -1 3 359.499 3.269 20 0 FGADHM O=C([N-]c1cc(-c2ccccc2F)on1)c1cnc(OCC2CC2)cn1 ZINC000509503928 515208350 /nfs/dbraw/zinc/20/83/50/515208350.db2.gz GWFJBTWPJPTODB-UHFFFAOYSA-N -1 3 354.341 3.312 20 0 FGADHM Cc1ccc([C@H]2OCCC[C@H]2C(=O)N=c2cc(OC(F)F)n(C)[n-]2)cc1 ZINC000490945856 515339199 /nfs/dbraw/zinc/33/91/99/515339199.db2.gz YUDRUOXJVSOTEN-CZUORRHYSA-N -1 3 365.380 3.436 20 0 FGADHM Cn1[n-]c(=NC(=O)c2cnc3onc(C(C)(C)C)c3c2)cc1OC(F)F ZINC000491074423 515371846 /nfs/dbraw/zinc/37/18/46/515371846.db2.gz AEMHYZNMFGZODK-UHFFFAOYSA-N -1 3 365.340 3.108 20 0 FGADHM Cc1cc(C(=O)N=c2cc(OC(F)F)n(C)[n-]2)c2c(n1)onc2C(C)C ZINC000491079914 515374445 /nfs/dbraw/zinc/37/44/45/515374445.db2.gz KINNIWOYGFRRRK-UHFFFAOYSA-N -1 3 365.340 3.242 20 0 FGADHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000472988384 515469800 /nfs/dbraw/zinc/46/98/00/515469800.db2.gz KKPJNRXNTLEPIN-GFCCVEGCSA-N -1 3 369.208 3.145 20 0 FGADHM Cc1nc([C@@H]2CCCO2)sc1C(=O)N=c1cc(-c2ccncc2)[n-][nH]1 ZINC000491891776 515480438 /nfs/dbraw/zinc/48/04/38/515480438.db2.gz PADLWBSBFQMNCD-ZDUSSCGKSA-N -1 3 355.423 3.340 20 0 FGADHM O=C(C[C@H](O)Cc1ccccc1)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1 ZINC000486634766 515573128 /nfs/dbraw/zinc/57/31/28/515573128.db2.gz ILZAXAGPPNMPIC-MRXNPFEDSA-N -1 3 357.360 3.287 20 0 FGADHM Cc1ccncc1CN(C)C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482097874 515575157 /nfs/dbraw/zinc/57/51/57/515575157.db2.gz DEGFUHQKXZJZIF-UHFFFAOYSA-N -1 3 374.242 3.464 20 0 FGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)NCc1ccsc1 ZINC000482136131 515584602 /nfs/dbraw/zinc/58/46/02/515584602.db2.gz AGKIQNHRSJKIPE-UHFFFAOYSA-N -1 3 351.229 3.480 20 0 FGADHM CCN(C[C@@H]1CCCO1)C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482138174 515585242 /nfs/dbraw/zinc/58/52/42/515585242.db2.gz FOZFEZANBKVSLJ-ZDUSSCGKSA-N -1 3 367.247 3.130 20 0 FGADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)COCc2cccnc2)[nH][n-]1 ZINC000493781992 515663943 /nfs/dbraw/zinc/66/39/43/515663943.db2.gz DXGGJFKILHXCPV-UHFFFAOYSA-N -1 3 372.812 3.289 20 0 FGADHM CCN=c1[n-]c(C(=O)N[C@H](c2ccc3c(c2)OCCO3)C2CC2)cs1 ZINC000478270997 515759736 /nfs/dbraw/zinc/75/97/36/515759736.db2.gz XYCNTHJCELWWFO-INIZCTEOSA-N -1 3 359.451 3.227 20 0 FGADHM Cc1nn(CC(C)C)c(C)c1CCC(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000473845115 515771230 /nfs/dbraw/zinc/77/12/30/515771230.db2.gz VBRTWHUOIXUJMK-KRWDZBQOSA-N -1 3 359.474 3.302 20 0 FGADHM COc1ccc(CCCC(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)c(OC)c1 ZINC000473847086 515774442 /nfs/dbraw/zinc/77/44/42/515774442.db2.gz LTAQSYLTHHTBTA-MRXNPFEDSA-N -1 3 359.426 3.240 20 0 FGADHM CCO[C@H](CC(=O)N=c1cc2ccc(Br)cn2[n-]1)C(C)C ZINC000511283337 515851785 /nfs/dbraw/zinc/85/17/85/515851785.db2.gz GFBGLGMRIJQYBV-CYBMUJFWSA-N -1 3 354.248 3.487 20 0 FGADHM O=C(Nc1n[nH]c(-c2ccccc2Cl)n1)c1csc(=NC2CC2)[n-]1 ZINC000495165715 516086622 /nfs/dbraw/zinc/08/66/22/516086622.db2.gz FWSDJVNPNBOSPJ-UHFFFAOYSA-N -1 3 360.830 3.408 20 0 FGADHM CC(C)OCC(=O)N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1 ZINC000512349452 516248797 /nfs/dbraw/zinc/24/87/97/516248797.db2.gz WQCRYWCIINYVLR-UHFFFAOYSA-N -1 3 356.195 3.342 20 0 FGADHM Cc1cccc(OCCCNC(=O)N=c2cc(OC(F)F)n(C)[n-]2)c1C ZINC000488683167 516286513 /nfs/dbraw/zinc/28/65/13/516286513.db2.gz HQTVGZIUDBYKKA-UHFFFAOYSA-N -1 3 368.384 3.229 20 0 FGADHM Cn1[n-]c(=NC(=O)N2CC[C@H](c3cccc(F)c3)C2)cc1OC(F)F ZINC000488683160 516286803 /nfs/dbraw/zinc/28/68/03/516286803.db2.gz HMPXWJPBHUDUKN-NSHDSACASA-N -1 3 354.332 3.182 20 0 FGADHM Cc1cc(C)cc(-c2cc(=NC(=O)CNC(=O)CC3CCCC3)[nH][n-]2)c1 ZINC000512540556 516302133 /nfs/dbraw/zinc/30/21/33/516302133.db2.gz NTIPAFRFCAJXNP-UHFFFAOYSA-N -1 3 354.454 3.329 20 0 FGADHM Cc1cc(C)cc(-c2cc(=NC(=O)[C@H]3CC(=O)N(CC(C)C)C3)[nH][n-]2)c1 ZINC000523775701 516575094 /nfs/dbraw/zinc/57/50/94/516575094.db2.gz CBKNKBSPFQHEHH-INIZCTEOSA-N -1 3 354.454 3.137 20 0 FGADHM Cc1cc(=NC(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)[n-]nc1C ZINC000531813522 516654655 /nfs/dbraw/zinc/65/46/55/516654655.db2.gz KARCCOUCRKKVNZ-GOSISDBHSA-N -1 3 353.470 3.222 20 0 FGADHM O=C(N=c1cc(-c2cc(Br)ccc2Cl)[n-][nH]1)c1c[nH]cn1 ZINC000524418767 516715863 /nfs/dbraw/zinc/71/58/63/516715863.db2.gz DHIWVHXFFIPBHS-UHFFFAOYSA-N -1 3 366.606 3.468 20 0 FGADHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000525966879 517261747 /nfs/dbraw/zinc/26/17/47/517261747.db2.gz BGJPWVGCOAQCMN-SJLPKXTDSA-N -1 3 354.454 3.112 20 0 FGADHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)c1cc(F)cc(Br)c1 ZINC000526960297 517411065 /nfs/dbraw/zinc/41/10/65/517411065.db2.gz WLYYFWDLDQMDGT-GFCCVEGCSA-N -1 3 354.179 3.415 20 0 FGADHM C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)c1 ZINC000527209242 517563138 /nfs/dbraw/zinc/56/31/38/517563138.db2.gz SNYZVLOMLGXFNO-WPGHFRTFSA-N -1 3 354.410 3.108 20 0 FGADHM CCN(CC)[C@H](CNC(=O)N=c1ncn(C(C)(C)C)[n-]1)c1ccccc1 ZINC000542439238 517563732 /nfs/dbraw/zinc/56/37/32/517563732.db2.gz WPFYQLCMMGHYHH-MRXNPFEDSA-N -1 3 358.490 3.238 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)C2CN(CC(F)(F)F)C2)c1-c1ccc(C)cc1 ZINC000530272486 517671294 /nfs/dbraw/zinc/67/12/94/517671294.db2.gz KSFZZEKBGPKBBY-UHFFFAOYSA-N -1 3 352.360 3.126 20 0 FGADHM C[C@@H](Oc1ccc(F)cc1Cl)C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000527499923 517712353 /nfs/dbraw/zinc/71/23/53/517712353.db2.gz IQACBZGLAXUDHK-YMTOWFKASA-N -1 3 353.781 3.460 20 0 FGADHM Cc1cnn(Cc2cc(C(=O)N=c3cc(-c4ccccc4C)[n-][nH]3)no2)c1 ZINC000534482283 517910055 /nfs/dbraw/zinc/91/00/55/517910055.db2.gz WTUWDGRSANMSLI-UHFFFAOYSA-N -1 3 362.393 3.179 20 0 FGADHM Cn1cc(Br)c(=NC(=O)c2ccc3c(c2)C(C)(C)CO3)[n-]1 ZINC000522003592 517943890 /nfs/dbraw/zinc/94/38/90/517943890.db2.gz GWKNATSXRFIQGZ-UHFFFAOYSA-N -1 3 350.216 3.105 20 0 FGADHM Cc1ccccc1-c1cc(=NC(=O)c2cccc3c2O[C@H](C)C(=O)N3)[nH][n-]1 ZINC000517097048 518024699 /nfs/dbraw/zinc/02/46/99/518024699.db2.gz MEGVAIAOOSMSAF-GFCCVEGCSA-N -1 3 362.389 3.357 20 0 FGADHM CSC[C@@H]1CCCN1C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000603043737 520043180 /nfs/dbraw/zinc/04/31/80/520043180.db2.gz OGXYSEPBAIHJHB-QMMMGPOBSA-N -1 3 356.801 3.458 20 0 FGADHM COc1cccc(OC(F)(F)F)c1C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000616825497 520164803 /nfs/dbraw/zinc/16/48/03/520164803.db2.gz YLNYESNBQCDMJA-JTQLQIEISA-N -1 3 371.315 3.421 20 0 FGADHM CCN=c1[n-]c(C(=O)N2CCC[C@@H]2c2nccc(C(F)(F)F)n2)cs1 ZINC000618072534 520865858 /nfs/dbraw/zinc/86/58/58/520865858.db2.gz JOICJARSWSOOKY-SNVBAGLBSA-N -1 3 371.388 3.361 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)c2csc(-c3cnn(C)c3)n2)c1-c1ccccc1 ZINC000623490109 522062665 /nfs/dbraw/zinc/06/26/65/522062665.db2.gz NRVTZVWHHYCRAT-UHFFFAOYSA-N -1 3 364.434 3.494 20 0 FGADHM CC(C)Oc1ccc(=NC(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)[n-]n1 ZINC000499497732 561552336 /nfs/dbraw/zinc/55/23/36/561552336.db2.gz LGCYQKAWMFQDBI-QGZVFWFLSA-N -1 3 369.469 3.002 20 0 FGADHM COCCOc1cncc(C(=O)N=c2cc(-c3ccccc3C)[n-][nH]2)c1 ZINC000513626714 561945061 /nfs/dbraw/zinc/94/50/61/561945061.db2.gz BUQINICZNDNXMZ-UHFFFAOYSA-N -1 3 352.394 3.058 20 0 FGADHM COc1ccc(O)cc1C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000513759163 561949089 /nfs/dbraw/zinc/94/90/89/561949089.db2.gz ABBJUSOGGKNSCE-UHFFFAOYSA-N -1 3 362.183 3.063 20 0 FGADHM CNC(=O)c1ccc(=NC[C@@H](CC(C)C)N[C@@H](C)c2ccccc2)[n-]n1 ZINC000470859084 560992023 /nfs/dbraw/zinc/99/20/23/560992023.db2.gz IRAJCWFIYRGLOX-DOTOQJQBSA-N -1 3 355.486 3.014 20 0 FGADHM CN(C)CCN(Cc1ccc(F)cc1)C(=O)c1csc(=NC2CC2)[n-]1 ZINC000476818146 561129188 /nfs/dbraw/zinc/12/91/88/561129188.db2.gz PFEUDQNXJFJRQI-UHFFFAOYSA-N -1 3 362.474 3.061 20 0 FGADHM Fc1cccc(C2(CNC(=S)Nc3ccccc3-c3nnn[n-]3)CC2)c1 ZINC000737664905 598828607 /nfs/dbraw/zinc/82/86/07/598828607.db2.gz GKRNIYDWMRTJBQ-UHFFFAOYSA-N -1 3 368.441 3.024 20 0 FGADHM Fc1cccc(C2(CNC(=S)Nc3ccccc3-c3nn[n-]n3)CC2)c1 ZINC000737664905 598828609 /nfs/dbraw/zinc/82/86/09/598828609.db2.gz GKRNIYDWMRTJBQ-UHFFFAOYSA-N -1 3 368.441 3.024 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)CCCCSC ZINC000736626310 598829518 /nfs/dbraw/zinc/82/95/18/598829518.db2.gz GCABMFCIQPGHQH-UHFFFAOYSA-N -1 3 370.862 3.358 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)CCCCSC ZINC000736626310 598829520 /nfs/dbraw/zinc/82/95/20/598829520.db2.gz GCABMFCIQPGHQH-UHFFFAOYSA-N -1 3 370.862 3.358 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)c1nccc2ccccc21 ZINC000736625926 598855942 /nfs/dbraw/zinc/85/59/42/598855942.db2.gz GWRMVPWQQZARNX-UHFFFAOYSA-N -1 3 361.361 3.033 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)c1nccc2ccccc21 ZINC000736625926 598855944 /nfs/dbraw/zinc/85/59/44/598855944.db2.gz GWRMVPWQQZARNX-UHFFFAOYSA-N -1 3 361.361 3.033 20 0 FGADHM COC(=O)[C@H](N[C@H](c1ccccc1)C(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736898624 598858822 /nfs/dbraw/zinc/85/88/22/598858822.db2.gz VONFXASUYCJBQL-ZWKOTPCHSA-N -1 3 365.437 3.068 20 0 FGADHM COC(=O)[C@H](N[C@H](c1ccccc1)C(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736898624 598858824 /nfs/dbraw/zinc/85/88/24/598858824.db2.gz VONFXASUYCJBQL-ZWKOTPCHSA-N -1 3 365.437 3.068 20 0 FGADHM C[C@H](NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1)C1CCCC1 ZINC000736111662 598879205 /nfs/dbraw/zinc/87/92/05/598879205.db2.gz NGCJFRLRCRABDH-ZDUSSCGKSA-N -1 3 354.458 3.119 20 0 FGADHM C[C@H](NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1)C1CCCC1 ZINC000736111662 598879207 /nfs/dbraw/zinc/87/92/07/598879207.db2.gz NGCJFRLRCRABDH-ZDUSSCGKSA-N -1 3 354.458 3.119 20 0 FGADHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)c1cc2c(s1)CCC2 ZINC000736036885 598884406 /nfs/dbraw/zinc/88/44/06/598884406.db2.gz BGSWUFJQCMUFEJ-LLVKDONJSA-N -1 3 370.434 3.041 20 0 FGADHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)c1cc2c(s1)CCC2 ZINC000736036885 598884407 /nfs/dbraw/zinc/88/44/07/598884407.db2.gz BGSWUFJQCMUFEJ-LLVKDONJSA-N -1 3 370.434 3.041 20 0 FGADHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)CCCc1ccccc1 ZINC000736037718 598887965 /nfs/dbraw/zinc/88/79/65/598887965.db2.gz OMCOPWCURXJDLS-OAHLLOKOSA-N -1 3 366.421 3.200 20 0 FGADHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)CCCc1ccccc1 ZINC000736037718 598887966 /nfs/dbraw/zinc/88/79/66/598887966.db2.gz OMCOPWCURXJDLS-OAHLLOKOSA-N -1 3 366.421 3.200 20 0 FGADHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)C[C@H](C)c1ccccc1 ZINC000736038685 598889079 /nfs/dbraw/zinc/88/90/79/598889079.db2.gz WOKGPSVAVNJGKM-LSDHHAIUSA-N -1 3 366.421 3.371 20 0 FGADHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)C[C@H](C)c1ccccc1 ZINC000736038685 598889081 /nfs/dbraw/zinc/88/90/81/598889081.db2.gz WOKGPSVAVNJGKM-LSDHHAIUSA-N -1 3 366.421 3.371 20 0 FGADHM c1ccc2c(c1)ccnc2-c1noc(COc2ccccc2-c2nnn[n-]2)n1 ZINC000738427526 598891395 /nfs/dbraw/zinc/89/13/95/598891395.db2.gz XBRJGYCWCBVESF-UHFFFAOYSA-N -1 3 371.360 3.044 20 0 FGADHM c1ccc2c(c1)ccnc2-c1noc(COc2ccccc2-c2nn[n-]n2)n1 ZINC000738427526 598891397 /nfs/dbraw/zinc/89/13/97/598891397.db2.gz XBRJGYCWCBVESF-UHFFFAOYSA-N -1 3 371.360 3.044 20 0 FGADHM Cc1cc(OC(F)F)c(C(=O)Oc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000737280436 598902103 /nfs/dbraw/zinc/90/21/03/598902103.db2.gz VTKRRNFLALIBIS-UHFFFAOYSA-N -1 3 352.322 3.057 20 0 FGADHM Cc1cc(OC(F)F)c(C(=O)Oc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000737280436 598902105 /nfs/dbraw/zinc/90/21/05/598902105.db2.gz VTKRRNFLALIBIS-UHFFFAOYSA-N -1 3 352.322 3.057 20 0 FGADHM CCc1nc(CSc2nc(-c3ccccc3)ccc2-c2nnn[n-]2)no1 ZINC000736704482 598902375 /nfs/dbraw/zinc/90/23/75/598902375.db2.gz PBQZXPSKRKLGSA-UHFFFAOYSA-N -1 3 365.422 3.166 20 0 FGADHM CCc1nc(CSc2nc(-c3ccccc3)ccc2-c2nn[n-]n2)no1 ZINC000736704482 598902377 /nfs/dbraw/zinc/90/23/77/598902377.db2.gz PBQZXPSKRKLGSA-UHFFFAOYSA-N -1 3 365.422 3.166 20 0 FGADHM CC[C@@H](c1ccncc1)N(CC)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736397823 598904842 /nfs/dbraw/zinc/90/48/42/598904842.db2.gz VZJZDYDYZUVAOE-INIZCTEOSA-N -1 3 369.404 3.406 20 0 FGADHM CC[C@@H](c1ccncc1)N(CC)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736397823 598904844 /nfs/dbraw/zinc/90/48/44/598904844.db2.gz VZJZDYDYZUVAOE-INIZCTEOSA-N -1 3 369.404 3.406 20 0 FGADHM CC[C@@H](NC(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)s1 ZINC000736363453 598907314 /nfs/dbraw/zinc/90/73/14/598907314.db2.gz OMCWKWAORUWMHI-GFCCVEGCSA-N -1 3 361.858 3.392 20 0 FGADHM CC[C@@H](NC(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)s1 ZINC000736363453 598907316 /nfs/dbraw/zinc/90/73/16/598907316.db2.gz OMCWKWAORUWMHI-GFCCVEGCSA-N -1 3 361.858 3.392 20 0 FGADHM CSc1ccc(O[C@@H](C)C(=O)Nc2sccc2-c2nnn[n-]2)cc1 ZINC000737193142 598911791 /nfs/dbraw/zinc/91/17/91/598911791.db2.gz XQYAMKGSYTZWDL-VIFPVBQESA-N -1 3 361.452 3.056 20 0 FGADHM CSc1ccc(O[C@@H](C)C(=O)Nc2sccc2-c2nn[n-]n2)cc1 ZINC000737193142 598911792 /nfs/dbraw/zinc/91/17/92/598911792.db2.gz XQYAMKGSYTZWDL-VIFPVBQESA-N -1 3 361.452 3.056 20 0 FGADHM C[C@H]1CCCC[C@@H]1CCNC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736261630 598922052 /nfs/dbraw/zinc/92/20/52/598922052.db2.gz LDGBPWKFECBBTF-GOEBONIOSA-N -1 3 356.474 3.225 20 0 FGADHM C[C@H]1CCCC[C@@H]1CCNC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736261630 598922054 /nfs/dbraw/zinc/92/20/54/598922054.db2.gz LDGBPWKFECBBTF-GOEBONIOSA-N -1 3 356.474 3.225 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OCCOc1cc(C)ccc1Cl ZINC000737033270 598936055 /nfs/dbraw/zinc/93/60/55/598936055.db2.gz URXTXUKCYNHPHB-UHFFFAOYSA-N -1 3 360.801 3.295 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OCCOc1cc(C)ccc1Cl ZINC000737033270 598936057 /nfs/dbraw/zinc/93/60/57/598936057.db2.gz URXTXUKCYNHPHB-UHFFFAOYSA-N -1 3 360.801 3.295 20 0 FGADHM O=C1CCCCN1c1cccc(Nc2ncc(-c3nnn[n-]3)cc2Cl)c1 ZINC000738301963 598937893 /nfs/dbraw/zinc/93/78/93/598937893.db2.gz HJIMSOZOBXCFBJ-UHFFFAOYSA-N -1 3 369.816 3.176 20 0 FGADHM O=C1CCCCN1c1cccc(Nc2ncc(-c3nn[n-]n3)cc2Cl)c1 ZINC000738301963 598937894 /nfs/dbraw/zinc/93/78/94/598937894.db2.gz HJIMSOZOBXCFBJ-UHFFFAOYSA-N -1 3 369.816 3.176 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OCCOc1ccc(Cl)c(C)c1 ZINC000737032477 598938428 /nfs/dbraw/zinc/93/84/28/598938428.db2.gz MCPVKWNWZSBBCN-UHFFFAOYSA-N -1 3 360.801 3.295 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OCCOc1ccc(Cl)c(C)c1 ZINC000737032477 598938429 /nfs/dbraw/zinc/93/84/29/598938429.db2.gz MCPVKWNWZSBBCN-UHFFFAOYSA-N -1 3 360.801 3.295 20 0 FGADHM CN(c1ccccc1)C1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)CC1 ZINC000736844949 598942509 /nfs/dbraw/zinc/94/25/09/598942509.db2.gz ZWDHNKPEGOASOU-UHFFFAOYSA-N -1 3 369.860 3.020 20 0 FGADHM CN(c1ccccc1)C1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000736844949 598942510 /nfs/dbraw/zinc/94/25/10/598942510.db2.gz ZWDHNKPEGOASOU-UHFFFAOYSA-N -1 3 369.860 3.020 20 0 FGADHM CCOC(=O)[C@@H](C)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736587432 598960733 /nfs/dbraw/zinc/96/07/33/598960733.db2.gz VRKNABNNKBRYSI-GFCCVEGCSA-N -1 3 353.382 3.023 20 0 FGADHM CCOC(=O)[C@@H](C)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736587432 598960734 /nfs/dbraw/zinc/96/07/34/598960734.db2.gz VRKNABNNKBRYSI-GFCCVEGCSA-N -1 3 353.382 3.023 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OCCN(C)c1cc(C)cc(C)c1 ZINC000737033290 598983687 /nfs/dbraw/zinc/98/36/87/598983687.db2.gz TWPIHVKBCSZRJW-UHFFFAOYSA-N -1 3 353.426 3.007 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OCCN(C)c1cc(C)cc(C)c1 ZINC000737033290 598983688 /nfs/dbraw/zinc/98/36/88/598983688.db2.gz TWPIHVKBCSZRJW-UHFFFAOYSA-N -1 3 353.426 3.007 20 0 FGADHM O=C(Nc1cccnc1)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000738196048 598986971 /nfs/dbraw/zinc/98/69/71/598986971.db2.gz LODZPULXHAVJRE-UHFFFAOYSA-N -1 3 372.388 3.093 20 0 FGADHM O=C(Nc1cccnc1)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000738196048 598986973 /nfs/dbraw/zinc/98/69/73/598986973.db2.gz LODZPULXHAVJRE-UHFFFAOYSA-N -1 3 372.388 3.093 20 0 FGADHM Cc1c(NCc2cn(-c3ccc(Cl)cc3)nn2)cccc1-c1nnn[n-]1 ZINC000822122517 607256631 /nfs/dbraw/zinc/25/66/31/607256631.db2.gz NOIBXLWCTHJBPX-UHFFFAOYSA-N -1 3 366.816 3.021 20 0 FGADHM Cc1c(NCc2cn(-c3ccc(Cl)cc3)nn2)cccc1-c1nn[n-]n1 ZINC000822122517 607256632 /nfs/dbraw/zinc/25/66/32/607256632.db2.gz NOIBXLWCTHJBPX-UHFFFAOYSA-N -1 3 366.816 3.021 20 0 FGADHM Cc1cccc(N(C(C)C)S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)c1 ZINC000737397317 599006451 /nfs/dbraw/zinc/00/64/51/599006451.db2.gz VDBGPVNUPBQJMR-UHFFFAOYSA-N -1 3 371.466 3.087 20 0 FGADHM Cc1cccc(N(C(C)C)S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)c1 ZINC000737397317 599006453 /nfs/dbraw/zinc/00/64/53/599006453.db2.gz VDBGPVNUPBQJMR-UHFFFAOYSA-N -1 3 371.466 3.087 20 0 FGADHM CCCCC[C@H](NC(=O)COc1ccc(-c2nn[n-]n2)cc1)C(C)(C)C ZINC000736442621 599008450 /nfs/dbraw/zinc/00/84/50/599008450.db2.gz XSMYNYNFTXFXFI-INIZCTEOSA-N -1 3 359.474 3.357 20 0 FGADHM C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000736237487 599008506 /nfs/dbraw/zinc/00/85/06/599008506.db2.gz WQMRRNHXBNMYMR-WFXOGFMASA-N -1 3 359.433 3.285 20 0 FGADHM C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000736237487 599008508 /nfs/dbraw/zinc/00/85/08/599008508.db2.gz WQMRRNHXBNMYMR-WFXOGFMASA-N -1 3 359.433 3.285 20 0 FGADHM CCO[C@H]1C[C@@H](N(C)C(=O)Nc2ccc(-c3nnn[n-]3)cc2)C12CCCC2 ZINC000736617136 599012342 /nfs/dbraw/zinc/01/23/42/599012342.db2.gz QATZHPVAVIJAGV-CVEARBPZSA-N -1 3 370.457 3.068 20 0 FGADHM CCO[C@H]1C[C@@H](N(C)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)C12CCCC2 ZINC000736617136 599012345 /nfs/dbraw/zinc/01/23/45/599012345.db2.gz QATZHPVAVIJAGV-CVEARBPZSA-N -1 3 370.457 3.068 20 0 FGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)Nc1ccccc1OCC1CC1 ZINC000738178279 599013054 /nfs/dbraw/zinc/01/30/54/599013054.db2.gz ISSOWLNLWFJCEO-UHFFFAOYSA-N -1 3 350.382 3.300 20 0 FGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)Nc1ccccc1OCC1CC1 ZINC000738178279 599013056 /nfs/dbraw/zinc/01/30/56/599013056.db2.gz ISSOWLNLWFJCEO-UHFFFAOYSA-N -1 3 350.382 3.300 20 0 FGADHM C[C@@H]1CCC[C@@H](CCNC(=O)CSc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736247708 599016831 /nfs/dbraw/zinc/01/68/31/599016831.db2.gz GUFVIWMQZKQHRE-KGLIPLIRSA-N -1 3 359.499 3.291 20 0 FGADHM C[C@@H]1CCC[C@@H](CCNC(=O)CSc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736247708 599016834 /nfs/dbraw/zinc/01/68/34/599016834.db2.gz GUFVIWMQZKQHRE-KGLIPLIRSA-N -1 3 359.499 3.291 20 0 FGADHM C[C@]1(c2ccccc2)C[C@H]1Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000820633680 599039031 /nfs/dbraw/zinc/03/90/31/599039031.db2.gz CSXMSXOFWZYSJB-CZUORRHYSA-N -1 3 360.343 3.423 20 0 FGADHM C[C@]1(c2ccccc2)C[C@H]1Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000820633680 599039034 /nfs/dbraw/zinc/03/90/34/599039034.db2.gz CSXMSXOFWZYSJB-CZUORRHYSA-N -1 3 360.343 3.423 20 0 FGADHM CO[C@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)c1ccc(Cl)cc1 ZINC000821678447 599046923 /nfs/dbraw/zinc/04/69/23/599046923.db2.gz NUYMMBZLXFFLAR-CYBMUJFWSA-N -1 3 365.224 3.368 20 0 FGADHM CO[C@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)c1ccc(Cl)cc1 ZINC000821678447 599046926 /nfs/dbraw/zinc/04/69/26/599046926.db2.gz NUYMMBZLXFFLAR-CYBMUJFWSA-N -1 3 365.224 3.368 20 0 FGADHM c1ccc2c(c1)oc1c2ncnc1NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000823801759 599050143 /nfs/dbraw/zinc/05/01/43/599050143.db2.gz AHXFVPJZRRNHCV-UHFFFAOYSA-N -1 3 373.376 3.047 20 0 FGADHM Cc1csc([C@H](C)Nc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)n1 ZINC000737455821 599051983 /nfs/dbraw/zinc/05/19/83/599051983.db2.gz XVQDEPNBNQVWOH-ZETCQYMHSA-N -1 3 355.349 3.219 20 0 FGADHM Cc1csc([C@H](C)Nc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)n1 ZINC000737455821 599051987 /nfs/dbraw/zinc/05/19/87/599051987.db2.gz XVQDEPNBNQVWOH-ZETCQYMHSA-N -1 3 355.349 3.219 20 0 FGADHM COC1CCC(N(C)c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CC1 ZINC000736960777 599061668 /nfs/dbraw/zinc/06/16/68/599061668.db2.gz HGWVCHSRDQQMCU-UHFFFAOYSA-N -1 3 355.364 3.279 20 0 FGADHM COC1CCC(N(C)c2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CC1 ZINC000736960777 599061671 /nfs/dbraw/zinc/06/16/71/599061671.db2.gz HGWVCHSRDQQMCU-UHFFFAOYSA-N -1 3 355.364 3.279 20 0 FGADHM C[C@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)Oc1ccccc1Cl ZINC000820281957 599065006 /nfs/dbraw/zinc/06/50/06/599065006.db2.gz ZTHJGOFJWMSXPL-SECBINFHSA-N -1 3 365.224 3.448 20 0 FGADHM C[C@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)Oc1ccccc1Cl ZINC000820281957 599065009 /nfs/dbraw/zinc/06/50/09/599065009.db2.gz ZTHJGOFJWMSXPL-SECBINFHSA-N -1 3 365.224 3.448 20 0 FGADHM COc1ccc(O[C@H](C)CNc2ccc(Cl)cc2-c2nnn[n-]2)cc1 ZINC000821838799 599074907 /nfs/dbraw/zinc/07/49/07/599074907.db2.gz PLVRRNKICJVVKH-LLVKDONJSA-N -1 3 359.817 3.408 20 0 FGADHM COc1ccc(O[C@H](C)CNc2ccc(Cl)cc2-c2nn[n-]n2)cc1 ZINC000821838799 599074908 /nfs/dbraw/zinc/07/49/08/599074908.db2.gz PLVRRNKICJVVKH-LLVKDONJSA-N -1 3 359.817 3.408 20 0 FGADHM CCCCCc1ccc(N[C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736451014 599086866 /nfs/dbraw/zinc/08/68/66/599086866.db2.gz FGSIOSWRSVQFDR-SFHVURJKSA-N -1 3 364.453 3.238 20 0 FGADHM CCCCCc1ccc(N[C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736451014 599086869 /nfs/dbraw/zinc/08/68/69/599086869.db2.gz FGSIOSWRSVQFDR-SFHVURJKSA-N -1 3 364.453 3.238 20 0 FGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N[C@H]1C[C@@H]1C1CCCCC1 ZINC000737943686 599096803 /nfs/dbraw/zinc/09/68/03/599096803.db2.gz UWYRMFHVHPNCJY-CVEARBPZSA-N -1 3 357.483 3.044 20 0 FGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N[C@H]1C[C@@H]1C1CCCCC1 ZINC000737943686 599096805 /nfs/dbraw/zinc/09/68/05/599096805.db2.gz UWYRMFHVHPNCJY-CVEARBPZSA-N -1 3 357.483 3.044 20 0 FGADHM Cc1cccc([C@H](C)NC(=O)NCc2cccc(-c3nnn[n-]3)c2)c1C ZINC000737386089 599104805 /nfs/dbraw/zinc/10/48/05/599104805.db2.gz ARNWHHMNXSMSRP-AWEZNQCLSA-N -1 3 350.426 3.044 20 0 FGADHM Cc1cccc([C@H](C)NC(=O)NCc2cccc(-c3nn[n-]n3)c2)c1C ZINC000737386089 599104807 /nfs/dbraw/zinc/10/48/07/599104807.db2.gz ARNWHHMNXSMSRP-AWEZNQCLSA-N -1 3 350.426 3.044 20 0 FGADHM O[C@H](C[C@H]1CCCN1c1ncc(-c2nnn[n-]2)cc1Cl)c1ccccc1 ZINC000823674578 599106335 /nfs/dbraw/zinc/10/63/35/599106335.db2.gz ROKUPMDRWPTMBZ-GDBMZVCRSA-N -1 3 370.844 3.008 20 0 FGADHM O[C@H](C[C@H]1CCCN1c1ncc(-c2nn[n-]n2)cc1Cl)c1ccccc1 ZINC000823674578 599106338 /nfs/dbraw/zinc/10/63/38/599106338.db2.gz ROKUPMDRWPTMBZ-GDBMZVCRSA-N -1 3 370.844 3.008 20 0 FGADHM C[C@@H](Sc1ccccc1-c1nnn[n-]1)C(=O)Nc1cc(F)ccc1F ZINC000736191350 599108133 /nfs/dbraw/zinc/10/81/33/599108133.db2.gz IGJUJHCUSWPTGB-SECBINFHSA-N -1 3 361.377 3.264 20 0 FGADHM C[C@@H](Sc1ccccc1-c1nn[n-]n1)C(=O)Nc1cc(F)ccc1F ZINC000736191350 599108135 /nfs/dbraw/zinc/10/81/35/599108135.db2.gz IGJUJHCUSWPTGB-SECBINFHSA-N -1 3 361.377 3.264 20 0 FGADHM C[C@H]1CCN(C)c2ccccc2N1C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000736276724 599112989 /nfs/dbraw/zinc/11/29/89/599112989.db2.gz OTFIQKIXJCUMQB-RUMSDORHSA-N -1 3 374.448 3.142 20 0 FGADHM C[C@H]1CCN(C)c2ccccc2N1C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000736276724 599112990 /nfs/dbraw/zinc/11/29/90/599112990.db2.gz OTFIQKIXJCUMQB-RUMSDORHSA-N -1 3 374.448 3.142 20 0 FGADHM COCCN(C(=O)[C@H]1[C@@H](C=C(C)C)C1(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736988810 599116358 /nfs/dbraw/zinc/11/63/58/599116358.db2.gz OSBXYNLOVRRVLI-IAGOWNOFSA-N -1 3 369.469 3.085 20 0 FGADHM COCCN(C(=O)[C@H]1[C@@H](C=C(C)C)C1(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736988810 599116360 /nfs/dbraw/zinc/11/63/60/599116360.db2.gz OSBXYNLOVRRVLI-IAGOWNOFSA-N -1 3 369.469 3.085 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)c1ccc(OC2CCC2)cc1 ZINC000821699111 599134903 /nfs/dbraw/zinc/13/49/03/599134903.db2.gz CDGRXTQYTZNDDP-UHFFFAOYSA-N -1 3 366.377 3.026 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)c1ccc(OC2CCC2)cc1 ZINC000821699111 599134905 /nfs/dbraw/zinc/13/49/05/599134905.db2.gz CDGRXTQYTZNDDP-UHFFFAOYSA-N -1 3 366.377 3.026 20 0 FGADHM C[C@@H](NC(=O)[C@@H](C)CCc1cccc(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820254698 599136800 /nfs/dbraw/zinc/13/68/00/599136800.db2.gz VCMAKIOCVHPWEF-UONOGXRCSA-N -1 3 367.428 3.452 20 0 FGADHM C[C@@H](NC(=O)[C@@H](C)CCc1cccc(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820254698 599136803 /nfs/dbraw/zinc/13/68/03/599136803.db2.gz VCMAKIOCVHPWEF-UONOGXRCSA-N -1 3 367.428 3.452 20 0 FGADHM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000820938005 599139169 /nfs/dbraw/zinc/13/91/69/599139169.db2.gz GLLACIYEXPJORM-OLMNPRSZSA-N -1 3 371.485 3.199 20 0 FGADHM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000820938005 599139172 /nfs/dbraw/zinc/13/91/72/599139172.db2.gz GLLACIYEXPJORM-OLMNPRSZSA-N -1 3 371.485 3.199 20 0 FGADHM COc1ccc(SCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)cc1 ZINC000737114070 599159321 /nfs/dbraw/zinc/15/93/21/599159321.db2.gz CMZIFNUUKLNUOQ-UHFFFAOYSA-N -1 3 366.406 3.218 20 0 FGADHM COc1ccc(SCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)cc1 ZINC000737114070 599159323 /nfs/dbraw/zinc/15/93/23/599159323.db2.gz CMZIFNUUKLNUOQ-UHFFFAOYSA-N -1 3 366.406 3.218 20 0 FGADHM CC(C)Cc1ccc(C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000820108566 599161156 /nfs/dbraw/zinc/16/11/56/599161156.db2.gz NGHRHHLWINLCOG-UHFFFAOYSA-N -1 3 353.401 3.134 20 0 FGADHM CC(C)Cc1ccc(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000820108566 599161157 /nfs/dbraw/zinc/16/11/57/599161157.db2.gz NGHRHHLWINLCOG-UHFFFAOYSA-N -1 3 353.401 3.134 20 0 FGADHM CCSc1ccccc1OC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000736668408 599164552 /nfs/dbraw/zinc/16/45/52/599164552.db2.gz XDHDFFIUHWSPHR-GFCCVEGCSA-N -1 3 370.434 3.352 20 0 FGADHM CCSc1ccccc1OC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000736668408 599164555 /nfs/dbraw/zinc/16/45/55/599164555.db2.gz XDHDFFIUHWSPHR-GFCCVEGCSA-N -1 3 370.434 3.352 20 0 FGADHM CCSc1ccccc1OC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000736665758 599165200 /nfs/dbraw/zinc/16/52/00/599165200.db2.gz HTUNQEMYZUHJJR-LBPRGKRZSA-N -1 3 370.434 3.352 20 0 FGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N1CCCC[C@@H]1c1ccco1 ZINC000737943172 599165946 /nfs/dbraw/zinc/16/59/46/599165946.db2.gz PVNFQOAHNIWIFP-OAHLLOKOSA-N -1 3 369.450 3.306 20 0 FGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N1CCCC[C@@H]1c1ccco1 ZINC000737943172 599165949 /nfs/dbraw/zinc/16/59/49/599165949.db2.gz PVNFQOAHNIWIFP-OAHLLOKOSA-N -1 3 369.450 3.306 20 0 FGADHM COc1ccccc1NC(=O)[C@H](C)Sc1ccc(-c2nnn[n-]2)cc1F ZINC000737152384 599166626 /nfs/dbraw/zinc/16/66/26/599166626.db2.gz KWGXYVYVRUCCBJ-JTQLQIEISA-N -1 3 373.413 3.134 20 0 FGADHM COc1ccccc1NC(=O)[C@H](C)Sc1ccc(-c2nn[n-]n2)cc1F ZINC000737152384 599166629 /nfs/dbraw/zinc/16/66/29/599166629.db2.gz KWGXYVYVRUCCBJ-JTQLQIEISA-N -1 3 373.413 3.134 20 0 FGADHM C[C@H](C(=O)NCc1cc(-c2nnn[n-]2)ccc1F)c1cccc(Cl)c1 ZINC000819868549 599170575 /nfs/dbraw/zinc/17/05/75/599170575.db2.gz ZQNZZNRITJJOSV-JTQLQIEISA-N -1 3 359.792 3.079 20 0 FGADHM C[C@H](C(=O)NCc1cc(-c2nn[n-]n2)ccc1F)c1cccc(Cl)c1 ZINC000819868549 599170576 /nfs/dbraw/zinc/17/05/76/599170576.db2.gz ZQNZZNRITJJOSV-JTQLQIEISA-N -1 3 359.792 3.079 20 0 FGADHM CC(C)[C@@H](Cc1ccccc1)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000820021366 599172425 /nfs/dbraw/zinc/17/24/25/599172425.db2.gz SSRGXKLHBDGQAO-QGZVFWFLSA-N -1 3 367.428 3.137 20 0 FGADHM CC(C)[C@@H](Cc1ccccc1)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000820021366 599172427 /nfs/dbraw/zinc/17/24/27/599172427.db2.gz SSRGXKLHBDGQAO-QGZVFWFLSA-N -1 3 367.428 3.137 20 0 FGADHM C[C@H](C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1)c1cccc(F)c1 ZINC000735510352 599179352 /nfs/dbraw/zinc/17/93/52/599179352.db2.gz ATHBVJHUVAAYFM-ZDUSSCGKSA-N -1 3 365.412 3.301 20 0 FGADHM C[C@H](C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1)c1cccc(F)c1 ZINC000735510352 599179354 /nfs/dbraw/zinc/17/93/54/599179354.db2.gz ATHBVJHUVAAYFM-ZDUSSCGKSA-N -1 3 365.412 3.301 20 0 FGADHM C[C@@H](NC(=O)c1ccc(-c2ccccc2)n1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736118445 599182021 /nfs/dbraw/zinc/18/20/21/599182021.db2.gz JWAGKNRKPLQBBR-CQSZACIVSA-N -1 3 372.432 3.363 20 0 FGADHM C[C@@H](NC(=O)c1ccc(-c2ccccc2)n1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736118445 599182024 /nfs/dbraw/zinc/18/20/24/599182024.db2.gz JWAGKNRKPLQBBR-CQSZACIVSA-N -1 3 372.432 3.363 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CCC[C@@H]1c1ccco1 ZINC000738151197 599189207 /nfs/dbraw/zinc/18/92/07/599189207.db2.gz GXYMHWAQUPKFQB-CYBMUJFWSA-N -1 3 358.789 3.482 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CCC[C@@H]1c1ccco1 ZINC000738151197 599189209 /nfs/dbraw/zinc/18/92/09/599189209.db2.gz GXYMHWAQUPKFQB-CYBMUJFWSA-N -1 3 358.789 3.482 20 0 FGADHM C[C@@H](C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F)c1cccc(Cl)c1 ZINC000735514799 599186761 /nfs/dbraw/zinc/18/67/61/599186761.db2.gz WKIGQPVCGBRPAY-SNVBAGLBSA-N -1 3 359.792 3.426 20 0 FGADHM C[C@@H](C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F)c1cccc(Cl)c1 ZINC000735514799 599186764 /nfs/dbraw/zinc/18/67/64/599186764.db2.gz WKIGQPVCGBRPAY-SNVBAGLBSA-N -1 3 359.792 3.426 20 0 FGADHM CC(C)(NC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1nccs1 ZINC000735671896 599187664 /nfs/dbraw/zinc/18/76/64/599187664.db2.gz RLBWBCHIOFLWIE-UHFFFAOYSA-N -1 3 363.834 3.033 20 0 FGADHM CC(C)(NC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1nccs1 ZINC000735671896 599187667 /nfs/dbraw/zinc/18/76/67/599187667.db2.gz RLBWBCHIOFLWIE-UHFFFAOYSA-N -1 3 363.834 3.033 20 0 FGADHM CC(C)COc1ccc(NC(=S)Nc2ccccc2-c2nnn[n-]2)cn1 ZINC000735845213 599191851 /nfs/dbraw/zinc/19/18/51/599191851.db2.gz SMIYJOVCOLOEBF-UHFFFAOYSA-N -1 3 369.454 3.105 20 0 FGADHM CC(C)COc1ccc(NC(=S)Nc2ccccc2-c2nn[n-]n2)cn1 ZINC000735845213 599191854 /nfs/dbraw/zinc/19/18/54/599191854.db2.gz SMIYJOVCOLOEBF-UHFFFAOYSA-N -1 3 369.454 3.105 20 0 FGADHM C[C@@H](CNC(=O)C=Cc1ccccc1-c1nnn[n-]1)Sc1ccccc1 ZINC000820259941 599191892 /nfs/dbraw/zinc/19/18/92/599191892.db2.gz DKLURCYITPZGKQ-NYHXXUGCSA-N -1 3 365.462 3.177 20 0 FGADHM C[C@@H](CNC(=O)C=Cc1ccccc1-c1nn[n-]n1)Sc1ccccc1 ZINC000820259941 599191896 /nfs/dbraw/zinc/19/18/96/599191896.db2.gz DKLURCYITPZGKQ-NYHXXUGCSA-N -1 3 365.462 3.177 20 0 FGADHM COCCN(C(=O)C[C@@H](C)C1CCCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736989058 599204730 /nfs/dbraw/zinc/20/47/30/599204730.db2.gz QBWHFHRHDUPZOH-OAHLLOKOSA-N -1 3 371.485 3.453 20 0 FGADHM COCCN(C(=O)C[C@@H](C)C1CCCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736989058 599204732 /nfs/dbraw/zinc/20/47/32/599204732.db2.gz QBWHFHRHDUPZOH-OAHLLOKOSA-N -1 3 371.485 3.453 20 0 FGADHM CC(C)Oc1cccc([C@@H](O)CNc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000735914703 599205740 /nfs/dbraw/zinc/20/57/40/599205740.db2.gz YSJXYNZRGRTLJG-KRWDZBQOSA-N -1 3 373.844 3.453 20 0 FGADHM CC(C)Oc1cccc([C@@H](O)CNc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000735914703 599205743 /nfs/dbraw/zinc/20/57/43/599205743.db2.gz YSJXYNZRGRTLJG-KRWDZBQOSA-N -1 3 373.844 3.453 20 0 FGADHM COCCN(C(=O)[C@H]1C[C@@H]1C1CCCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736988369 599205790 /nfs/dbraw/zinc/20/57/90/599205790.db2.gz LAZPOQXFVWEXMD-MSOLQXFVSA-N -1 3 369.469 3.063 20 0 FGADHM COCCN(C(=O)[C@H]1C[C@@H]1C1CCCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736988369 599205791 /nfs/dbraw/zinc/20/57/91/599205791.db2.gz LAZPOQXFVWEXMD-MSOLQXFVSA-N -1 3 369.469 3.063 20 0 FGADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCCCC1CCCC1 ZINC000820525590 599206510 /nfs/dbraw/zinc/20/65/10/599206510.db2.gz GNFOFXLPNOEQMD-CQSZACIVSA-N -1 3 357.458 3.111 20 0 FGADHM COCCN(C(=O)C[C@@H](C)CC(C)(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736987724 599203202 /nfs/dbraw/zinc/20/32/02/599203202.db2.gz FSVQPBTULQRSKP-CQSZACIVSA-N -1 3 359.474 3.309 20 0 FGADHM COCCN(C(=O)C[C@@H](C)CC(C)(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736987724 599203204 /nfs/dbraw/zinc/20/32/04/599203204.db2.gz FSVQPBTULQRSKP-CQSZACIVSA-N -1 3 359.474 3.309 20 0 FGADHM COCCC(=O)N(Cc1ccc(Cl)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000736976448 599210556 /nfs/dbraw/zinc/21/05/56/599210556.db2.gz LOLYZNWXRQRQAG-UHFFFAOYSA-N -1 3 371.828 3.090 20 0 FGADHM COCCC(=O)N(Cc1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000736976448 599210558 /nfs/dbraw/zinc/21/05/58/599210558.db2.gz LOLYZNWXRQRQAG-UHFFFAOYSA-N -1 3 371.828 3.090 20 0 FGADHM CCOC(=O)c1ccc(-c2nnn[n-]2)c(SCc2ccc(CC)cc2)n1 ZINC000736603451 599221190 /nfs/dbraw/zinc/22/11/90/599221190.db2.gz PGPWJNYUAQZTQY-UHFFFAOYSA-N -1 3 369.450 3.293 20 0 FGADHM CCOC(=O)c1ccc(-c2nn[n-]n2)c(SCc2ccc(CC)cc2)n1 ZINC000736603451 599221192 /nfs/dbraw/zinc/22/11/92/599221192.db2.gz PGPWJNYUAQZTQY-UHFFFAOYSA-N -1 3 369.450 3.293 20 0 FGADHM O=C(Nc1cc(Cl)cc(Cl)c1)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000823299029 607262353 /nfs/dbraw/zinc/26/23/53/607262353.db2.gz DIUZGMNIEORWBU-UHFFFAOYSA-N -1 3 369.599 3.474 20 0 FGADHM O=C(Nc1cc(Cl)cc(Cl)c1)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000823299029 607262354 /nfs/dbraw/zinc/26/23/54/607262354.db2.gz DIUZGMNIEORWBU-UHFFFAOYSA-N -1 3 369.599 3.474 20 0 FGADHM CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736354950 599232636 /nfs/dbraw/zinc/23/26/36/599232636.db2.gz WLPZJNIECRCXSH-IBGZPJMESA-N -1 3 363.465 3.197 20 0 FGADHM CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736354950 599232638 /nfs/dbraw/zinc/23/26/38/599232638.db2.gz WLPZJNIECRCXSH-IBGZPJMESA-N -1 3 363.465 3.197 20 0 FGADHM Cc1c(NC(=O)[C@H]2C[C@H]2c2cc(F)ccc2F)cccc1-c1nnn[n-]1 ZINC000822060722 607266878 /nfs/dbraw/zinc/26/68/78/607266878.db2.gz IGHDHDYQUILLTL-JSGCOSHPSA-N -1 3 355.348 3.196 20 0 FGADHM Cc1c(NC(=O)[C@H]2C[C@H]2c2cc(F)ccc2F)cccc1-c1nn[n-]n1 ZINC000822060722 607266879 /nfs/dbraw/zinc/26/68/79/607266879.db2.gz IGHDHDYQUILLTL-JSGCOSHPSA-N -1 3 355.348 3.196 20 0 FGADHM CC(=O)c1ccc(NC(=S)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000819833636 599237876 /nfs/dbraw/zinc/23/78/76/599237876.db2.gz JCMQZPOIHNSEHD-LLVKDONJSA-N -1 3 366.450 3.117 20 0 FGADHM CC(=O)c1ccc(NC(=S)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000819833636 599237878 /nfs/dbraw/zinc/23/78/78/599237878.db2.gz JCMQZPOIHNSEHD-LLVKDONJSA-N -1 3 366.450 3.117 20 0 FGADHM Cc1c(NC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)cccc1-c1nnn[n-]1 ZINC000822061543 607267934 /nfs/dbraw/zinc/26/79/34/607267934.db2.gz PTZIFQHOYZEGBI-GHMZBOCLSA-N -1 3 353.348 3.482 20 0 FGADHM Cc1c(NC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)cccc1-c1nn[n-]n1 ZINC000822061543 607267935 /nfs/dbraw/zinc/26/79/35/607267935.db2.gz PTZIFQHOYZEGBI-GHMZBOCLSA-N -1 3 353.348 3.482 20 0 FGADHM COc1ccc(CCC(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1Cl ZINC000821789990 607270122 /nfs/dbraw/zinc/27/01/22/607270122.db2.gz DEVNXOWMUOMWRF-UHFFFAOYSA-N -1 3 371.828 3.408 20 0 FGADHM COc1ccc(CCC(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1Cl ZINC000821789990 607270123 /nfs/dbraw/zinc/27/01/23/607270123.db2.gz DEVNXOWMUOMWRF-UHFFFAOYSA-N -1 3 371.828 3.408 20 0 FGADHM O=C(NC1CC(c2cccc(Cl)c2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738019937 599244564 /nfs/dbraw/zinc/24/45/64/599244564.db2.gz MKRXYBJNTVJSAS-UHFFFAOYSA-N -1 3 353.813 3.196 20 0 FGADHM O=C(NC1CC(c2cccc(Cl)c2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738019937 599244567 /nfs/dbraw/zinc/24/45/67/599244567.db2.gz MKRXYBJNTVJSAS-UHFFFAOYSA-N -1 3 353.813 3.196 20 0 FGADHM C[C@H](NC(=O)C[C@@H]1CCOc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000736102705 599245848 /nfs/dbraw/zinc/24/58/48/599245848.db2.gz UGUBFTOFBGHDPK-BBRMVZONSA-N -1 3 363.421 3.000 20 0 FGADHM C[C@H](NC(=O)C[C@@H]1CCOc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000736102705 599245850 /nfs/dbraw/zinc/24/58/50/599245850.db2.gz UGUBFTOFBGHDPK-BBRMVZONSA-N -1 3 363.421 3.000 20 0 FGADHM C[C@@H](NC(=O)C[C@@H]1CCOc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000736102708 599246443 /nfs/dbraw/zinc/24/64/43/599246443.db2.gz UGUBFTOFBGHDPK-CJNGLKHVSA-N -1 3 363.421 3.000 20 0 FGADHM C[C@@H](NC(=O)C[C@@H]1CCOc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000736102708 599246446 /nfs/dbraw/zinc/24/64/46/599246446.db2.gz UGUBFTOFBGHDPK-CJNGLKHVSA-N -1 3 363.421 3.000 20 0 FGADHM C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000736233663 599248348 /nfs/dbraw/zinc/24/83/48/599248348.db2.gz GEQUYAHMEKJKBX-PXAZEXFGSA-N -1 3 351.385 3.229 20 0 FGADHM C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000736233663 599248351 /nfs/dbraw/zinc/24/83/51/599248351.db2.gz GEQUYAHMEKJKBX-PXAZEXFGSA-N -1 3 351.385 3.229 20 0 FGADHM O=C([O-])c1ccc(CNC(=O)N[C@H](CN2CCCC2)c2ccccc2)cc1 ZINC000263138551 597213363 /nfs/dbraw/zinc/21/33/63/597213363.db2.gz ZMQWXINZOZTSKH-LJQANCHMSA-N -1 3 367.449 3.021 20 0 FGADHM O=C(C=Cc1ccnc2ccccc12)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737804692 599249842 /nfs/dbraw/zinc/24/98/42/599249842.db2.gz DTVRWBVNHZDZQS-VMPITWQZSA-N -1 3 360.352 3.206 20 0 FGADHM O=C(C=Cc1ccnc2ccccc12)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737804692 599249844 /nfs/dbraw/zinc/24/98/44/599249844.db2.gz DTVRWBVNHZDZQS-VMPITWQZSA-N -1 3 360.352 3.206 20 0 FGADHM Cc1c(NC(=O)N(CCC(F)(F)F)CC2CC2)cccc1-c1nnn[n-]1 ZINC000822076611 607288185 /nfs/dbraw/zinc/28/81/85/607288185.db2.gz OSUAMAXBYUDLQW-UHFFFAOYSA-N -1 3 368.363 3.371 20 0 FGADHM Cc1c(NC(=O)N(CCC(F)(F)F)CC2CC2)cccc1-c1nn[n-]n1 ZINC000822076611 607288186 /nfs/dbraw/zinc/28/81/86/607288186.db2.gz OSUAMAXBYUDLQW-UHFFFAOYSA-N -1 3 368.363 3.371 20 0 FGADHM Cc1ccc(O[C@@H](C)CNC(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1 ZINC000822259128 607284324 /nfs/dbraw/zinc/28/43/24/607284324.db2.gz NJISUXWVAYAILK-ZDUSSCGKSA-N -1 3 366.425 3.073 20 0 FGADHM Cc1ccc(O[C@@H](C)CNC(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1 ZINC000822259128 607284325 /nfs/dbraw/zinc/28/43/25/607284325.db2.gz NJISUXWVAYAILK-ZDUSSCGKSA-N -1 3 366.425 3.073 20 0 FGADHM Cc1c(NC(=O)N[C@H](C)c2ccc(F)cc2F)cccc1-c1nnn[n-]1 ZINC000822089849 607285669 /nfs/dbraw/zinc/28/56/69/607285669.db2.gz HGWGELXNRNBZOF-SNVBAGLBSA-N -1 3 358.352 3.336 20 0 FGADHM Cc1c(NC(=O)N[C@H](C)c2ccc(F)cc2F)cccc1-c1nn[n-]n1 ZINC000822089849 607285670 /nfs/dbraw/zinc/28/56/70/607285670.db2.gz HGWGELXNRNBZOF-SNVBAGLBSA-N -1 3 358.352 3.336 20 0 FGADHM Cc1c(NC(=O)N(C)Cc2ccc(F)cc2F)cccc1-c1nnn[n-]1 ZINC000822075810 607287163 /nfs/dbraw/zinc/28/71/63/607287163.db2.gz JBERAVPODCPQBJ-UHFFFAOYSA-N -1 3 358.352 3.117 20 0 FGADHM Cc1c(NC(=O)N(C)Cc2ccc(F)cc2F)cccc1-c1nn[n-]n1 ZINC000822075810 607287164 /nfs/dbraw/zinc/28/71/64/607287164.db2.gz JBERAVPODCPQBJ-UHFFFAOYSA-N -1 3 358.352 3.117 20 0 FGADHM Cc1c(NC(=O)N(Cc2cccs2)C2CC2)cccc1-c1nnn[n-]1 ZINC000822083379 607287223 /nfs/dbraw/zinc/28/72/23/607287223.db2.gz AECCQJCIYWBSRZ-UHFFFAOYSA-N -1 3 354.439 3.433 20 0 FGADHM Cc1c(NC(=O)N(Cc2cccs2)C2CC2)cccc1-c1nn[n-]n1 ZINC000822083379 607287224 /nfs/dbraw/zinc/28/72/24/607287224.db2.gz AECCQJCIYWBSRZ-UHFFFAOYSA-N -1 3 354.439 3.433 20 0 FGADHM CCS[C@@H]1CCCC[C@H]1NC(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821454480 607291296 /nfs/dbraw/zinc/29/12/96/607291296.db2.gz GEDCPOORBNZJMS-HUUCEWRRSA-N -1 3 360.487 3.361 20 0 FGADHM CCS[C@@H]1CCCC[C@H]1NC(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821454480 607291297 /nfs/dbraw/zinc/29/12/97/607291297.db2.gz GEDCPOORBNZJMS-HUUCEWRRSA-N -1 3 360.487 3.361 20 0 FGADHM Cc1c(NC(=O)NC[C@@H](C)Sc2ccccc2)cccc1-c1nnn[n-]1 ZINC000822095226 607291856 /nfs/dbraw/zinc/29/18/56/607291856.db2.gz BHAYJPHHWMYUQM-GFCCVEGCSA-N -1 3 368.466 3.477 20 0 FGADHM Cc1c(NC(=O)NC[C@@H](C)Sc2ccccc2)cccc1-c1nn[n-]n1 ZINC000822095226 607291857 /nfs/dbraw/zinc/29/18/57/607291857.db2.gz BHAYJPHHWMYUQM-GFCCVEGCSA-N -1 3 368.466 3.477 20 0 FGADHM Cc1c(NC(=O)CCc2ccc([C@@H]3C[C@H]3C)o2)cccc1-c1nnn[n-]1 ZINC000822066699 607296683 /nfs/dbraw/zinc/29/66/83/607296683.db2.gz HDVNQEIROGIQEI-IAQYHMDHSA-N -1 3 351.410 3.463 20 0 FGADHM Cc1c(NC(=O)CCc2ccc([C@@H]3C[C@H]3C)o2)cccc1-c1nn[n-]n1 ZINC000822066699 607296684 /nfs/dbraw/zinc/29/66/84/607296684.db2.gz HDVNQEIROGIQEI-IAQYHMDHSA-N -1 3 351.410 3.463 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NC(C(C)C)C(C)C ZINC000821104812 607300634 /nfs/dbraw/zinc/30/06/34/607300634.db2.gz RRNBJCCWLYMASC-UHFFFAOYSA-N -1 3 358.490 3.469 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NC(C(C)C)C(C)C ZINC000821104812 607300635 /nfs/dbraw/zinc/30/06/35/607300635.db2.gz RRNBJCCWLYMASC-UHFFFAOYSA-N -1 3 358.490 3.469 20 0 FGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC2(CCCC2)C1 ZINC000820151816 599263850 /nfs/dbraw/zinc/26/38/50/599263850.db2.gz NHGIHIQOKCDRIZ-UHFFFAOYSA-N -1 3 370.457 3.452 20 0 FGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC2(CCCC2)C1 ZINC000820151816 599263851 /nfs/dbraw/zinc/26/38/51/599263851.db2.gz NHGIHIQOKCDRIZ-UHFFFAOYSA-N -1 3 370.457 3.452 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N1C[C@H](C)CCC[C@H]1C ZINC000821406216 599264699 /nfs/dbraw/zinc/26/46/99/599264699.db2.gz CTCUNLHONTXFFA-CHWSQXEVSA-N -1 3 358.446 3.308 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N1C[C@H](C)CCC[C@H]1C ZINC000821406216 599264700 /nfs/dbraw/zinc/26/47/00/599264700.db2.gz CTCUNLHONTXFFA-CHWSQXEVSA-N -1 3 358.446 3.308 20 0 FGADHM CCCOc1cccc(CC(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000821134095 607313139 /nfs/dbraw/zinc/31/31/39/607313139.db2.gz NRGJTNJMUNRPBR-UHFFFAOYSA-N -1 3 369.400 3.000 20 0 FGADHM CCCOc1cccc(CC(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000821134095 607313140 /nfs/dbraw/zinc/31/31/40/607313140.db2.gz NRGJTNJMUNRPBR-UHFFFAOYSA-N -1 3 369.400 3.000 20 0 FGADHM COc1ccc(CNc2ccc(CCSC)cc2)cc1-c1nnn[n-]1 ZINC000821821331 607316038 /nfs/dbraw/zinc/31/60/38/607316038.db2.gz FKUIVGHCYDKUSW-UHFFFAOYSA-N -1 3 355.467 3.393 20 0 FGADHM COc1ccc(CNc2ccc(CCSC)cc2)cc1-c1nn[n-]n1 ZINC000821821331 607316039 /nfs/dbraw/zinc/31/60/39/607316039.db2.gz FKUIVGHCYDKUSW-UHFFFAOYSA-N -1 3 355.467 3.393 20 0 FGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N1CCS[C@@H](c2ccccc2)C1 ZINC000738179700 599276937 /nfs/dbraw/zinc/27/69/37/599276937.db2.gz ZRSBHEUSOTVQDF-MRXNPFEDSA-N -1 3 366.450 3.189 20 0 FGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N1CCS[C@@H](c2ccccc2)C1 ZINC000738179700 599276940 /nfs/dbraw/zinc/27/69/40/599276940.db2.gz ZRSBHEUSOTVQDF-MRXNPFEDSA-N -1 3 366.450 3.189 20 0 FGADHM CSCc1ccc(NC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000821969685 599278104 /nfs/dbraw/zinc/27/81/04/599278104.db2.gz DBZBOEFKCAVSGX-UHFFFAOYSA-N -1 3 372.429 3.191 20 0 FGADHM CSCc1ccc(NC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000821969685 599278106 /nfs/dbraw/zinc/27/81/06/599278106.db2.gz DBZBOEFKCAVSGX-UHFFFAOYSA-N -1 3 372.429 3.191 20 0 FGADHM C[C@H](Sc1nnc(-c2ccncc2)o1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736191037 599286519 /nfs/dbraw/zinc/28/65/19/599286519.db2.gz HDVBMBRVWLVPBD-JTQLQIEISA-N -1 3 351.395 3.165 20 0 FGADHM C[C@H](Sc1nnc(-c2ccncc2)o1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736191037 599286522 /nfs/dbraw/zinc/28/65/22/599286522.db2.gz HDVBMBRVWLVPBD-JTQLQIEISA-N -1 3 351.395 3.165 20 0 FGADHM CC(C)c1nc(C2(NCc3cc(-c4nnn[n-]4)ccc3F)CCCC2)no1 ZINC000735939953 599291657 /nfs/dbraw/zinc/29/16/57/599291657.db2.gz MMBWQBZVXAPHDT-UHFFFAOYSA-N -1 3 371.420 3.071 20 0 FGADHM CC(C)c1nc(C2(NCc3cc(-c4nn[n-]n4)ccc3F)CCCC2)no1 ZINC000735939953 599291658 /nfs/dbraw/zinc/29/16/58/599291658.db2.gz MMBWQBZVXAPHDT-UHFFFAOYSA-N -1 3 371.420 3.071 20 0 FGADHM O=C(Nc1ccc(SC(F)F)nc1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000823357675 607326103 /nfs/dbraw/zinc/32/61/03/607326103.db2.gz XZOOPTGURMVQNK-UHFFFAOYSA-N -1 3 363.353 3.220 20 0 FGADHM O=C(Nc1ccc(SC(F)F)nc1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000823357675 607326104 /nfs/dbraw/zinc/32/61/04/607326104.db2.gz XZOOPTGURMVQNK-UHFFFAOYSA-N -1 3 363.353 3.220 20 0 FGADHM COC[C@H](Nc1ccc(-c2nnn[n-]2)nc1)c1cccc(C(F)(F)F)c1 ZINC000821684376 607326249 /nfs/dbraw/zinc/32/62/49/607326249.db2.gz ZYIHWNOZOPSGBX-AWEZNQCLSA-N -1 3 364.331 3.080 20 0 FGADHM COC[C@H](Nc1ccc(-c2nn[n-]n2)nc1)c1cccc(C(F)(F)F)c1 ZINC000821684376 607326250 /nfs/dbraw/zinc/32/62/50/607326250.db2.gz ZYIHWNOZOPSGBX-AWEZNQCLSA-N -1 3 364.331 3.080 20 0 FGADHM Cc1cccc(-c2c[nH]c([C@@H]3CCCN3c3ccc(-c4nnn[n-]4)nc3)n2)c1 ZINC000822284729 607328762 /nfs/dbraw/zinc/32/87/62/607328762.db2.gz XYMWZJGGTXANIE-SFHVURJKSA-N -1 3 372.436 3.302 20 0 FGADHM Cc1cccc(-c2c[nH]c([C@@H]3CCCN3c3ccc(-c4nn[n-]n4)nc3)n2)c1 ZINC000822284729 607328763 /nfs/dbraw/zinc/32/87/63/607328763.db2.gz XYMWZJGGTXANIE-SFHVURJKSA-N -1 3 372.436 3.302 20 0 FGADHM Cc1cn(Cc2ccc(C(=O)Nc3ccccc3)cc2)cc1-c1nnn[n-]1 ZINC000822384923 607331006 /nfs/dbraw/zinc/33/10/06/607331006.db2.gz VEHRJHXRNHCHCZ-UHFFFAOYSA-N -1 3 358.405 3.277 20 0 FGADHM Cc1cn(Cc2ccc(C(=O)Nc3ccccc3)cc2)cc1-c1nn[n-]n1 ZINC000822384923 607331007 /nfs/dbraw/zinc/33/10/07/607331007.db2.gz VEHRJHXRNHCHCZ-UHFFFAOYSA-N -1 3 358.405 3.277 20 0 FGADHM Cc1cn(Cc2csc(CCc3ccccc3)n2)cc1-c1nnn[n-]1 ZINC000822389389 607331171 /nfs/dbraw/zinc/33/11/71/607331171.db2.gz UVXGODGEOYSOIV-UHFFFAOYSA-N -1 3 350.451 3.267 20 0 FGADHM Cc1cn(Cc2csc(CCc3ccccc3)n2)cc1-c1nn[n-]n1 ZINC000822389389 607331172 /nfs/dbraw/zinc/33/11/72/607331172.db2.gz UVXGODGEOYSOIV-UHFFFAOYSA-N -1 3 350.451 3.267 20 0 FGADHM O=C(C[C@H]1CCCO1)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737818104 598232329 /nfs/dbraw/zinc/23/23/29/598232329.db2.gz AFJTZLMRHRRGSL-MRXNPFEDSA-N -1 3 365.393 3.167 20 0 FGADHM O=C(C[C@H]1CCCO1)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737818104 598232330 /nfs/dbraw/zinc/23/23/30/598232330.db2.gz AFJTZLMRHRRGSL-MRXNPFEDSA-N -1 3 365.393 3.167 20 0 FGADHM O=C1CCCCN1c1cccc(Nc2cccc(F)c2-c2nnn[n-]2)c1 ZINC000738304314 598237863 /nfs/dbraw/zinc/23/78/63/598237863.db2.gz WXZMDAMNWTWIEB-UHFFFAOYSA-N -1 3 352.373 3.266 20 0 FGADHM O=C1CCCCN1c1cccc(Nc2cccc(F)c2-c2nn[n-]n2)c1 ZINC000738304314 598237865 /nfs/dbraw/zinc/23/78/65/598237865.db2.gz WXZMDAMNWTWIEB-UHFFFAOYSA-N -1 3 352.373 3.266 20 0 FGADHM CCN(CCCNc1cccc(F)c1-c1nnn[n-]1)C(=O)OC(C)(C)C ZINC000736536332 598238350 /nfs/dbraw/zinc/23/83/50/598238350.db2.gz ABATYNCXTPCORN-UHFFFAOYSA-N -1 3 364.425 3.065 20 0 FGADHM CCN(CCCNc1cccc(F)c1-c1nn[n-]n1)C(=O)OC(C)(C)C ZINC000736536332 598238352 /nfs/dbraw/zinc/23/83/52/598238352.db2.gz ABATYNCXTPCORN-UHFFFAOYSA-N -1 3 364.425 3.065 20 0 FGADHM CCC(CC)CNC(=O)c1cc(C2CC2)nc(SC)c1-c1nnn[n-]1 ZINC000736343164 598239794 /nfs/dbraw/zinc/23/97/94/598239794.db2.gz YWIXAVYDUIHKOE-UHFFFAOYSA-N -1 3 360.487 3.027 20 0 FGADHM COCCN(CCCc1ccccc1)c1cccc(F)c1-c1nnn[n-]1 ZINC000736994780 598242956 /nfs/dbraw/zinc/24/29/56/598242956.db2.gz MBNUOZKNDYIKKN-UHFFFAOYSA-N -1 3 355.417 3.091 20 0 FGADHM COCCN(CCCc1ccccc1)c1cccc(F)c1-c1nn[n-]n1 ZINC000736994780 598242958 /nfs/dbraw/zinc/24/29/58/598242958.db2.gz MBNUOZKNDYIKKN-UHFFFAOYSA-N -1 3 355.417 3.091 20 0 FGADHM Cc1cccnc1CNc1cc(C)c(-c2nnn[n-]2)c2nc3ccccc3n21 ZINC000737433267 598243670 /nfs/dbraw/zinc/24/36/70/598243670.db2.gz DPSDHAFGBUAIAF-UHFFFAOYSA-N -1 3 370.420 3.292 20 0 FGADHM Cc1cccnc1CNc1cc(C)c(-c2nn[n-]n2)c2nc3ccccc3n21 ZINC000737433267 598243672 /nfs/dbraw/zinc/24/36/72/598243672.db2.gz DPSDHAFGBUAIAF-UHFFFAOYSA-N -1 3 370.420 3.292 20 0 FGADHM C[C@H](c1ccccc1F)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000736204534 598256390 /nfs/dbraw/zinc/25/63/90/598256390.db2.gz RGNCLJVJZOKEDF-CYBMUJFWSA-N -1 3 370.407 3.028 20 0 FGADHM CC[C@@H](NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1nc(C)cs1 ZINC000736360899 598265386 /nfs/dbraw/zinc/26/53/86/598265386.db2.gz CIOWKJGDUQFTJV-GFCCVEGCSA-N -1 3 361.406 3.044 20 0 FGADHM CC[C@@H](NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1nc(C)cs1 ZINC000736360899 598265387 /nfs/dbraw/zinc/26/53/87/598265387.db2.gz CIOWKJGDUQFTJV-GFCCVEGCSA-N -1 3 361.406 3.044 20 0 FGADHM Cc1ccccc1CN(C)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000737427351 598275070 /nfs/dbraw/zinc/27/50/70/598275070.db2.gz DGKMSUMNWDKMDF-UHFFFAOYSA-N -1 3 367.457 3.396 20 0 FGADHM Cc1ccccc1CN(C)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000737427351 598275072 /nfs/dbraw/zinc/27/50/72/598275072.db2.gz DGKMSUMNWDKMDF-UHFFFAOYSA-N -1 3 367.457 3.396 20 0 FGADHM Fc1ccc([C@H]2CN(c3ccc(-c4nnn[n-]4)c(Cl)c3)CCO2)cc1 ZINC000737652315 598275696 /nfs/dbraw/zinc/27/56/96/598275696.db2.gz WORQYUNOFYTQBX-MRXNPFEDSA-N -1 3 359.792 3.237 20 0 FGADHM Fc1ccc([C@H]2CN(c3ccc(-c4nn[n-]n4)c(Cl)c3)CCO2)cc1 ZINC000737652315 598275698 /nfs/dbraw/zinc/27/56/98/598275698.db2.gz WORQYUNOFYTQBX-MRXNPFEDSA-N -1 3 359.792 3.237 20 0 FGADHM C[C@@H]1CCCC[C@@H]1N(C)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736268775 598278420 /nfs/dbraw/zinc/27/84/20/598278420.db2.gz FOCDYDVZARIVKH-OCCSQVGLSA-N -1 3 359.478 3.466 20 0 FGADHM C[C@@H]1CCCC[C@@H]1N(C)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736268775 598278421 /nfs/dbraw/zinc/27/84/21/598278421.db2.gz FOCDYDVZARIVKH-OCCSQVGLSA-N -1 3 359.478 3.466 20 0 FGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N[C@H]1C[C@@H]1c1ccccc1 ZINC000735660784 598278744 /nfs/dbraw/zinc/27/87/44/598278744.db2.gz PDFPXBXSWIWEIQ-CABCVRRESA-N -1 3 365.441 3.101 20 0 FGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N[C@H]1C[C@@H]1c1ccccc1 ZINC000735660784 598278746 /nfs/dbraw/zinc/27/87/46/598278746.db2.gz PDFPXBXSWIWEIQ-CABCVRRESA-N -1 3 365.441 3.101 20 0 FGADHM COc1cccc2cc(C(=O)N(C)c3ccc(-c4nnn[n-]4)cc3F)oc21 ZINC000737141814 598280800 /nfs/dbraw/zinc/28/08/00/598280800.db2.gz CZWFNFWESFBNOC-UHFFFAOYSA-N -1 3 367.340 3.037 20 0 FGADHM COc1cccc2cc(C(=O)N(C)c3ccc(-c4nn[n-]n4)cc3F)oc21 ZINC000737141814 598280801 /nfs/dbraw/zinc/28/08/01/598280801.db2.gz CZWFNFWESFBNOC-UHFFFAOYSA-N -1 3 367.340 3.037 20 0 FGADHM C[C@@H](c1ccncc1)N(C)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736201451 598281310 /nfs/dbraw/zinc/28/13/10/598281310.db2.gz FLEVVLSMHJQHHO-LBPRGKRZSA-N -1 3 368.445 3.043 20 0 FGADHM C[C@@H](c1ccncc1)N(C)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736201451 598281311 /nfs/dbraw/zinc/28/13/11/598281311.db2.gz FLEVVLSMHJQHHO-LBPRGKRZSA-N -1 3 368.445 3.043 20 0 FGADHM Cc1nc(-c2ccco2)ccc1C(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000737464216 598296363 /nfs/dbraw/zinc/29/63/63/598296363.db2.gz FQJVYSCKUYVMCR-UHFFFAOYSA-N -1 3 374.404 3.102 20 0 FGADHM Cc1nc(-c2ccco2)ccc1C(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000737464216 598296365 /nfs/dbraw/zinc/29/63/65/598296365.db2.gz FQJVYSCKUYVMCR-UHFFFAOYSA-N -1 3 374.404 3.102 20 0 FGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)c1cc2ccc(F)cc2s1 ZINC000738101046 598304046 /nfs/dbraw/zinc/30/40/46/598304046.db2.gz DOFFYANKOAMNCX-UHFFFAOYSA-N -1 3 371.372 3.290 20 0 FGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)c1cc2ccc(F)cc2s1 ZINC000738101046 598304048 /nfs/dbraw/zinc/30/40/48/598304048.db2.gz DOFFYANKOAMNCX-UHFFFAOYSA-N -1 3 371.372 3.290 20 0 FGADHM CCC/C(C)=C/C(=O)OCCOc1c(-c2nnn[n-]2)cnc2ccccc21 ZINC000736418400 598307179 /nfs/dbraw/zinc/30/71/79/598307179.db2.gz DNVBEGCRJBQXCW-ACCUITESSA-N -1 3 367.409 3.083 20 0 FGADHM CCC/C(C)=C/C(=O)OCCOc1c(-c2nn[n-]n2)cnc2ccccc21 ZINC000736418400 598307180 /nfs/dbraw/zinc/30/71/80/598307180.db2.gz DNVBEGCRJBQXCW-ACCUITESSA-N -1 3 367.409 3.083 20 0 FGADHM Cc1ccc(CCC(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)c(C)c1 ZINC000737334335 598310557 /nfs/dbraw/zinc/31/05/57/598310557.db2.gz FSSAHXAGUTVIOQ-UHFFFAOYSA-N -1 3 353.401 3.218 20 0 FGADHM Cc1ccc(CCC(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)c(C)c1 ZINC000737334335 598310559 /nfs/dbraw/zinc/31/05/59/598310559.db2.gz FSSAHXAGUTVIOQ-UHFFFAOYSA-N -1 3 353.401 3.218 20 0 FGADHM Fc1cc(-c2nnn[n-]2)ccc1CNc1ncnc2cc(Cl)ccc21 ZINC000737640770 598310920 /nfs/dbraw/zinc/31/09/20/598310920.db2.gz PVGLETAOZSWJTJ-UHFFFAOYSA-N -1 3 355.764 3.215 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1CNc1ncnc2cc(Cl)ccc21 ZINC000737640770 598310921 /nfs/dbraw/zinc/31/09/21/598310921.db2.gz PVGLETAOZSWJTJ-UHFFFAOYSA-N -1 3 355.764 3.215 20 0 FGADHM Cc1ccccc1N(CC(=O)Nc1sccc1-c1nnn[n-]1)C(C)C ZINC000737434259 598312329 /nfs/dbraw/zinc/31/23/29/598312329.db2.gz DJJZOWVMEGSDDO-UHFFFAOYSA-N -1 3 356.455 3.090 20 0 FGADHM Cc1ccccc1N(CC(=O)Nc1sccc1-c1nn[n-]n1)C(C)C ZINC000737434259 598312330 /nfs/dbraw/zinc/31/23/30/598312330.db2.gz DJJZOWVMEGSDDO-UHFFFAOYSA-N -1 3 356.455 3.090 20 0 FGADHM Fc1cc(-c2nnn[n-]2)ccc1CNCc1ccccc1Br ZINC000737638299 598314988 /nfs/dbraw/zinc/31/49/88/598314988.db2.gz GCELXABMNRAOEO-UHFFFAOYSA-N -1 3 362.206 3.058 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1CNCc1ccccc1Br ZINC000737638299 598314990 /nfs/dbraw/zinc/31/49/90/598314990.db2.gz GCELXABMNRAOEO-UHFFFAOYSA-N -1 3 362.206 3.058 20 0 FGADHM COc1cccc(NC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000737141817 598315889 /nfs/dbraw/zinc/31/58/89/598315889.db2.gz ZCVKVTROSUCBQL-UHFFFAOYSA-N -1 3 360.830 3.338 20 0 FGADHM COc1cccc(NC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000737141817 598315891 /nfs/dbraw/zinc/31/58/91/598315891.db2.gz ZCVKVTROSUCBQL-UHFFFAOYSA-N -1 3 360.830 3.338 20 0 FGADHM CCCCOCCCNC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736459303 598317018 /nfs/dbraw/zinc/31/70/18/598317018.db2.gz AHFDCOQUNOCMMM-UHFFFAOYSA-N -1 3 368.894 3.013 20 0 FGADHM CCCCOCCCNC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736459303 598317020 /nfs/dbraw/zinc/31/70/20/598317020.db2.gz AHFDCOQUNOCMMM-UHFFFAOYSA-N -1 3 368.894 3.013 20 0 FGADHM C[C@@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1Cl ZINC000736116230 598317145 /nfs/dbraw/zinc/31/71/45/598317145.db2.gz FCXNNUWRVDREAG-SNVBAGLBSA-N -1 3 374.807 3.220 20 0 FGADHM C[C@@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1Cl ZINC000736116230 598317147 /nfs/dbraw/zinc/31/71/47/598317147.db2.gz FCXNNUWRVDREAG-SNVBAGLBSA-N -1 3 374.807 3.220 20 0 FGADHM CC(C)(C)[C@H]1CCCC[C@@H]1NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000735595505 598325260 /nfs/dbraw/zinc/32/52/60/598325260.db2.gz GDHSWIOZHGRLLQ-HOCLYGCPSA-N -1 3 374.464 3.410 20 0 FGADHM CC(C)(C)[C@H]1CCCC[C@@H]1NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000735595505 598325262 /nfs/dbraw/zinc/32/52/62/598325262.db2.gz GDHSWIOZHGRLLQ-HOCLYGCPSA-N -1 3 374.464 3.410 20 0 FGADHM CN(C(=O)NCc1ccc(-c2nnn[n-]2)cc1F)C1CCCCCCC1 ZINC000736738662 598328280 /nfs/dbraw/zinc/32/82/80/598328280.db2.gz GBHXEMQEVVBDKN-UHFFFAOYSA-N -1 3 360.437 3.260 20 0 FGADHM CN(C(=O)NCc1ccc(-c2nn[n-]n2)cc1F)C1CCCCCCC1 ZINC000736738662 598328282 /nfs/dbraw/zinc/32/82/82/598328282.db2.gz GBHXEMQEVVBDKN-UHFFFAOYSA-N -1 3 360.437 3.260 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cccc2c1ccn2C ZINC000736479466 598382755 /nfs/dbraw/zinc/38/27/55/598382755.db2.gz HUUNEOCFEVPCSH-UHFFFAOYSA-N -1 3 374.448 3.411 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cccc2c1ccn2C ZINC000736479466 598382756 /nfs/dbraw/zinc/38/27/56/598382756.db2.gz HUUNEOCFEVPCSH-UHFFFAOYSA-N -1 3 374.448 3.411 20 0 FGADHM COc1ccc(C[C@H](C)Nc2ccc(-c3nn[n-]n3)cc2F)cc1OC ZINC000737085840 598387485 /nfs/dbraw/zinc/38/74/85/598387485.db2.gz BXESERWNNKNJOT-NSHDSACASA-N -1 3 357.389 3.066 20 0 FGADHM Cc1nc(C)c([C@@H](C)N(C)C(=S)Nc2ccccc2-c2nnn[n-]2)s1 ZINC000737471724 598394260 /nfs/dbraw/zinc/39/42/60/598394260.db2.gz SJVVVAWLUBDDSU-SNVBAGLBSA-N -1 3 373.511 3.330 20 0 FGADHM Cc1nc(C)c([C@@H](C)N(C)C(=S)Nc2ccccc2-c2nn[n-]n2)s1 ZINC000737471724 598394261 /nfs/dbraw/zinc/39/42/61/598394261.db2.gz SJVVVAWLUBDDSU-SNVBAGLBSA-N -1 3 373.511 3.330 20 0 FGADHM Cc1ccc2c(c1)[C@@H](NC(=S)Nc1ccccc1-c1nnn[n-]1)CC2 ZINC000737372020 598394328 /nfs/dbraw/zinc/39/43/28/598394328.db2.gz UHMGRTYMDZAZIK-INIZCTEOSA-N -1 3 350.451 3.149 20 0 FGADHM Cc1ccc2c(c1)[C@@H](NC(=S)Nc1ccccc1-c1nn[n-]n1)CC2 ZINC000737372020 598394330 /nfs/dbraw/zinc/39/43/30/598394330.db2.gz UHMGRTYMDZAZIK-INIZCTEOSA-N -1 3 350.451 3.149 20 0 FGADHM COc1ccc(-c2nc(COc3ccc(-c4nn[n-]n4)cc3C)co2)cc1 ZINC000737056474 598394776 /nfs/dbraw/zinc/39/47/76/598394776.db2.gz LKHNGFHFTCVEQE-UHFFFAOYSA-N -1 3 363.377 3.418 20 0 FGADHM O=C(CC1=CCCCC1)NCCSCc1ccccc1-c1nnn[n-]1 ZINC000737805877 598395106 /nfs/dbraw/zinc/39/51/06/598395106.db2.gz DKMHMZYTDXKNDP-UHFFFAOYSA-N -1 3 357.483 3.107 20 0 FGADHM O=C(CC1=CCCCC1)NCCSCc1ccccc1-c1nn[n-]n1 ZINC000737805877 598395107 /nfs/dbraw/zinc/39/51/07/598395107.db2.gz DKMHMZYTDXKNDP-UHFFFAOYSA-N -1 3 357.483 3.107 20 0 FGADHM Cc1nc(C)c([C@H](C)N(C)C(=O)CCc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000737470582 598400584 /nfs/dbraw/zinc/40/05/84/598400584.db2.gz JDIPQDIDRCHOGF-LBPRGKRZSA-N -1 3 370.482 3.092 20 0 FGADHM Cc1nc(C)c([C@H](C)N(C)C(=O)CCc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000737470582 598400586 /nfs/dbraw/zinc/40/05/86/598400586.db2.gz JDIPQDIDRCHOGF-LBPRGKRZSA-N -1 3 370.482 3.092 20 0 FGADHM C[C@H]1c2ccccc2CCN1C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736304038 598413092 /nfs/dbraw/zinc/41/30/92/598413092.db2.gz NNDQASWXKZFVDA-NSHDSACASA-N -1 3 352.373 3.157 20 0 FGADHM C[C@H]1c2ccccc2CCN1C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736304038 598413094 /nfs/dbraw/zinc/41/30/94/598413094.db2.gz NNDQASWXKZFVDA-NSHDSACASA-N -1 3 352.373 3.157 20 0 FGADHM CC/C=C\COC(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000736411812 598414189 /nfs/dbraw/zinc/41/41/89/598414189.db2.gz OYRSJIIQDHQHSF-UTCJRWHESA-N -1 3 354.366 3.162 20 0 FGADHM CC/C=C\COC(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000736411812 598414190 /nfs/dbraw/zinc/41/41/90/598414190.db2.gz OYRSJIIQDHQHSF-UTCJRWHESA-N -1 3 354.366 3.162 20 0 FGADHM COc1ccccc1C[C@@H](C)CC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737154171 598421584 /nfs/dbraw/zinc/42/15/84/598421584.db2.gz YEBKYHUIAPOLCD-GFCCVEGCSA-N -1 3 369.400 3.222 20 0 FGADHM COc1ccccc1C[C@@H](C)CC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737154171 598421586 /nfs/dbraw/zinc/42/15/86/598421586.db2.gz YEBKYHUIAPOLCD-GFCCVEGCSA-N -1 3 369.400 3.222 20 0 FGADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@H](C)c1ccccc1 ZINC000735734260 598421807 /nfs/dbraw/zinc/42/18/07/598421807.db2.gz GDDZDHOECNNNKK-RDTXWAMCSA-N -1 3 365.437 3.148 20 0 FGADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@H](C)c1ccccc1 ZINC000735734260 598421808 /nfs/dbraw/zinc/42/18/08/598421808.db2.gz GDDZDHOECNNNKK-RDTXWAMCSA-N -1 3 365.437 3.148 20 0 FGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NC[C@H]1CC=CCC1 ZINC000735874057 598429232 /nfs/dbraw/zinc/42/92/32/598429232.db2.gz HEKBKKINUFOJKF-HNNXBMFYSA-N -1 3 354.458 3.143 20 0 FGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@H]1CC=CCC1 ZINC000735874057 598429234 /nfs/dbraw/zinc/42/92/34/598429234.db2.gz HEKBKKINUFOJKF-HNNXBMFYSA-N -1 3 354.458 3.143 20 0 FGADHM COc1ccccc1C[C@H](C)CC(=O)OCc1ccccc1-c1nnn[n-]1 ZINC000737151892 598431521 /nfs/dbraw/zinc/43/15/21/598431521.db2.gz GXGYVWCLYCJMSV-AWEZNQCLSA-N -1 3 366.421 3.187 20 0 FGADHM COc1ccccc1C[C@H](C)CC(=O)OCc1ccccc1-c1nn[n-]n1 ZINC000737151892 598431523 /nfs/dbraw/zinc/43/15/23/598431523.db2.gz GXGYVWCLYCJMSV-AWEZNQCLSA-N -1 3 366.421 3.187 20 0 FGADHM Cc1ccc(-c2csc(NC(=O)c3ccc(-c4nnn[n-]4)cn3)n2)s1 ZINC000737289694 598439950 /nfs/dbraw/zinc/43/99/50/598439950.db2.gz XEGQLGONWWOHKO-UHFFFAOYSA-N -1 3 369.435 3.007 20 0 FGADHM Cc1ccc(-c2csc(NC(=O)c3ccc(-c4nn[n-]n4)cn3)n2)s1 ZINC000737289694 598439952 /nfs/dbraw/zinc/43/99/52/598439952.db2.gz XEGQLGONWWOHKO-UHFFFAOYSA-N -1 3 369.435 3.007 20 0 FGADHM O=C(c1ccc(-c2nnn[n-]2)cn1)N(Cc1ccccc1)C1CCCCC1 ZINC000738262000 598446792 /nfs/dbraw/zinc/44/67/92/598446792.db2.gz YJFIZDCYZGUHRJ-UHFFFAOYSA-N -1 3 362.437 3.237 20 0 FGADHM O=C(c1ccc(-c2nn[n-]n2)cn1)N(Cc1ccccc1)C1CCCCC1 ZINC000738262000 598446793 /nfs/dbraw/zinc/44/67/93/598446793.db2.gz YJFIZDCYZGUHRJ-UHFFFAOYSA-N -1 3 362.437 3.237 20 0 FGADHM CCCCCCOCC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000736447917 598452786 /nfs/dbraw/zinc/45/27/86/598452786.db2.gz UMGZISAQBAGTBQ-UHFFFAOYSA-N -1 3 369.372 3.004 20 0 FGADHM CCCCCCOCC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000736447917 598452787 /nfs/dbraw/zinc/45/27/87/598452787.db2.gz UMGZISAQBAGTBQ-UHFFFAOYSA-N -1 3 369.372 3.004 20 0 FGADHM C[C@@H](CN(C)C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000735993263 598468864 /nfs/dbraw/zinc/46/88/64/598468864.db2.gz CJQOZZXXTQGCFW-GJZGRUSLSA-N -1 3 364.453 3.373 20 0 FGADHM C[C@@H](CN(C)C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000735993263 598468865 /nfs/dbraw/zinc/46/88/65/598468865.db2.gz CJQOZZXXTQGCFW-GJZGRUSLSA-N -1 3 364.453 3.373 20 0 FGADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OCc1cc(-c2ccco2)on1 ZINC000737024483 598471576 /nfs/dbraw/zinc/47/15/76/598471576.db2.gz INYUDEHGXALCLE-UHFFFAOYSA-N -1 3 373.756 3.356 20 0 FGADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OCc1cc(-c2ccco2)on1 ZINC000737024483 598471577 /nfs/dbraw/zinc/47/15/77/598471577.db2.gz INYUDEHGXALCLE-UHFFFAOYSA-N -1 3 373.756 3.356 20 0 FGADHM O=C(N[C@H]1CCc2ccccc21)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000738035486 598479056 /nfs/dbraw/zinc/47/90/56/598479056.db2.gz LNTUEHDFYYGDCQ-IBGZPJMESA-N -1 3 374.448 3.228 20 0 FGADHM O=C(N[C@H]1CCc2ccccc21)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000738035486 598479057 /nfs/dbraw/zinc/47/90/57/598479057.db2.gz LNTUEHDFYYGDCQ-IBGZPJMESA-N -1 3 374.448 3.228 20 0 FGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)c1ccc2ncsc2c1 ZINC000735662628 598488497 /nfs/dbraw/zinc/48/84/97/598488497.db2.gz VJSPNFYXFNWJAB-UHFFFAOYSA-N -1 3 367.438 3.285 20 0 FGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)c1ccc2ncsc2c1 ZINC000735662628 598488499 /nfs/dbraw/zinc/48/84/99/598488499.db2.gz VJSPNFYXFNWJAB-UHFFFAOYSA-N -1 3 367.438 3.285 20 0 FGADHM Cc1ccc(C)c(CC(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)c1 ZINC000737321512 598490416 /nfs/dbraw/zinc/49/04/16/598490416.db2.gz FVVHVMGIZYHJRA-UHFFFAOYSA-N -1 3 352.442 3.221 20 0 FGADHM Cc1ccc(C)c(CC(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)c1 ZINC000737321512 598490417 /nfs/dbraw/zinc/49/04/17/598490417.db2.gz FVVHVMGIZYHJRA-UHFFFAOYSA-N -1 3 352.442 3.221 20 0 FGADHM Cc1nc2ccc(C(=O)O[C@H](C)c3cccc(-c4nnn[n-]4)c3)cc2nc1C ZINC000737489169 598491487 /nfs/dbraw/zinc/49/14/87/598491487.db2.gz WSEMOVLDVPFDRV-CYBMUJFWSA-N -1 3 374.404 3.345 20 0 FGADHM Cc1nc2ccc(C(=O)O[C@H](C)c3cccc(-c4nn[n-]n4)c3)cc2nc1C ZINC000737489169 598491488 /nfs/dbraw/zinc/49/14/88/598491488.db2.gz WSEMOVLDVPFDRV-CYBMUJFWSA-N -1 3 374.404 3.345 20 0 FGADHM C[C@@H](OC(=O)c1cc(-c2ccccc2)[nH]n1)c1cccc(-c2nn[n-]n2)c1 ZINC000736161626 598491806 /nfs/dbraw/zinc/49/18/06/598491806.db2.gz WXCSBDCDHGGLTA-GFCCVEGCSA-N -1 3 360.377 3.175 20 0 FGADHM Cc1ncccc1C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000737503071 598493491 /nfs/dbraw/zinc/49/34/91/598493491.db2.gz RIPCGSKSWPAZFZ-UHFFFAOYSA-N -1 3 373.376 3.010 20 0 FGADHM Cc1ncccc1C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000737503071 598493492 /nfs/dbraw/zinc/49/34/92/598493492.db2.gz RIPCGSKSWPAZFZ-UHFFFAOYSA-N -1 3 373.376 3.010 20 0 FGADHM CN(C(=O)C[C@@H]1CCCc2ccccc21)c1ccc(-c2nnn[n-]2)cc1F ZINC000736732728 598494350 /nfs/dbraw/zinc/49/43/50/598494350.db2.gz NTRFPOOMZXAIES-AWEZNQCLSA-N -1 3 365.412 3.479 20 0 FGADHM CN(C(=O)C[C@@H]1CCCc2ccccc21)c1ccc(-c2nn[n-]n2)cc1F ZINC000736732728 598494351 /nfs/dbraw/zinc/49/43/51/598494351.db2.gz NTRFPOOMZXAIES-AWEZNQCLSA-N -1 3 365.412 3.479 20 0 FGADHM COc1cccc(C2(CNc3ncccc3-c3nnn[n-]3)CCCC2)c1 ZINC000737127559 598503777 /nfs/dbraw/zinc/50/37/77/598503777.db2.gz LGIIHMHHWWGNNU-UHFFFAOYSA-N -1 3 350.426 3.194 20 0 FGADHM COc1cccc(C2(CNc3ncccc3-c3nn[n-]n3)CCCC2)c1 ZINC000737127559 598503778 /nfs/dbraw/zinc/50/37/78/598503778.db2.gz LGIIHMHHWWGNNU-UHFFFAOYSA-N -1 3 350.426 3.194 20 0 FGADHM CCc1c(C)sc(NC(=O)[C@@H](OC)c2ccccc2)c1-c1nnn[n-]1 ZINC000736670304 598514962 /nfs/dbraw/zinc/51/49/62/598514962.db2.gz MMTASWRFSWQYDM-AWEZNQCLSA-N -1 3 357.439 3.125 20 0 FGADHM CCc1c(C)sc(NC(=O)[C@@H](OC)c2ccccc2)c1-c1nn[n-]n1 ZINC000736670304 598514963 /nfs/dbraw/zinc/51/49/63/598514963.db2.gz MMTASWRFSWQYDM-AWEZNQCLSA-N -1 3 357.439 3.125 20 0 FGADHM CCc1c(C)sc(NC(=O)COc2ccc(C)cc2)c1-c1nnn[n-]1 ZINC000736677104 598519264 /nfs/dbraw/zinc/51/92/64/598519264.db2.gz ZJDQPUQXIGEUFT-UHFFFAOYSA-N -1 3 357.439 3.125 20 0 FGADHM CCc1c(C)sc(NC(=O)COc2ccc(C)cc2)c1-c1nn[n-]n1 ZINC000736677104 598519265 /nfs/dbraw/zinc/51/92/65/598519265.db2.gz ZJDQPUQXIGEUFT-UHFFFAOYSA-N -1 3 357.439 3.125 20 0 FGADHM CCCC[C@@H]1CCC[C@H]1NC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000736441762 598519779 /nfs/dbraw/zinc/51/97/79/598519779.db2.gz UHQLQMJEPKYYEE-CKEIUWERSA-N -1 3 357.458 3.109 20 0 FGADHM O=C(Nc1ccccc1-c1nnn[n-]1)c1ccc(Br)cc1F ZINC000738192002 598532317 /nfs/dbraw/zinc/53/23/17/598532317.db2.gz PFXHKOJTDOQHMQ-UHFFFAOYSA-N -1 3 362.162 3.021 20 0 FGADHM O=C(Nc1ccccc1-c1nn[n-]n1)c1ccc(Br)cc1F ZINC000738192002 598532319 /nfs/dbraw/zinc/53/23/19/598532319.db2.gz PFXHKOJTDOQHMQ-UHFFFAOYSA-N -1 3 362.162 3.021 20 0 FGADHM C[C@H]1C[C@H]1NC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000736235882 598532712 /nfs/dbraw/zinc/53/27/12/598532712.db2.gz HRMYLZJRFYENOF-XHDPSFHLSA-N -1 3 350.382 3.189 20 0 FGADHM C[C@H]1C[C@H]1NC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000736235882 598532714 /nfs/dbraw/zinc/53/27/14/598532714.db2.gz HRMYLZJRFYENOF-XHDPSFHLSA-N -1 3 350.382 3.189 20 0 FGADHM CCc1ccc([C@H](C)C(=O)OCCOc2ccccc2-c2nnn[n-]2)cc1 ZINC000736689705 598533042 /nfs/dbraw/zinc/53/30/42/598533042.db2.gz SDKHNPGYGAVJCN-AWEZNQCLSA-N -1 3 366.421 3.155 20 0 FGADHM CCc1ccc([C@H](C)C(=O)OCCOc2ccccc2-c2nn[n-]n2)cc1 ZINC000736689705 598533044 /nfs/dbraw/zinc/53/30/44/598533044.db2.gz SDKHNPGYGAVJCN-AWEZNQCLSA-N -1 3 366.421 3.155 20 0 FGADHM O=C(OCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)[C@H]1CCCOC1 ZINC000738235827 598533877 /nfs/dbraw/zinc/53/38/77/598533877.db2.gz AVFKJUYWLJUYCU-INIZCTEOSA-N -1 3 364.405 3.004 20 0 FGADHM O=C(OCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)[C@H]1CCCOC1 ZINC000738235827 598533879 /nfs/dbraw/zinc/53/38/79/598533879.db2.gz AVFKJUYWLJUYCU-INIZCTEOSA-N -1 3 364.405 3.004 20 0 FGADHM O=C(C=Cc1cccs1)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000737804924 598546974 /nfs/dbraw/zinc/54/69/74/598546974.db2.gz FAWGCANFUYJFJE-XQRVVYSFSA-N -1 3 363.349 3.182 20 0 FGADHM O=C(C=Cc1cccs1)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000737804924 598546976 /nfs/dbraw/zinc/54/69/76/598546976.db2.gz FAWGCANFUYJFJE-XQRVVYSFSA-N -1 3 363.349 3.182 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ncnc2sc3c(c21)CCC3 ZINC000737221514 598551240 /nfs/dbraw/zinc/55/12/40/598551240.db2.gz NGIXALTVSMERAL-UHFFFAOYSA-N -1 3 350.407 3.461 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ncnc2sc3c(c21)CCC3 ZINC000737221514 598551241 /nfs/dbraw/zinc/55/12/41/598551241.db2.gz NGIXALTVSMERAL-UHFFFAOYSA-N -1 3 350.407 3.461 20 0 FGADHM CC(C)OCC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735895138 598552890 /nfs/dbraw/zinc/55/28/90/598552890.db2.gz PVXDLLUDIMKZPE-UHFFFAOYSA-N -1 3 353.382 3.023 20 0 FGADHM CC(C)OCC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735895138 598552891 /nfs/dbraw/zinc/55/28/91/598552891.db2.gz PVXDLLUDIMKZPE-UHFFFAOYSA-N -1 3 353.382 3.023 20 0 FGADHM C[C@@H]1CCC[C@@H](NC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)C1 ZINC000736261294 598561770 /nfs/dbraw/zinc/56/17/70/598561770.db2.gz NIKVUQPYPKANCL-MWLCHTKSSA-N -1 3 366.372 3.168 20 0 FGADHM C[C@@H]1CCC[C@@H](NC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)C1 ZINC000736261294 598561771 /nfs/dbraw/zinc/56/17/71/598561771.db2.gz NIKVUQPYPKANCL-MWLCHTKSSA-N -1 3 366.372 3.168 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000737290804 598568517 /nfs/dbraw/zinc/56/85/17/598568517.db2.gz GHABLWHSHSEUQD-STQMWFEESA-N -1 3 355.348 3.196 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000737290804 598568519 /nfs/dbraw/zinc/56/85/19/598568519.db2.gz GHABLWHSHSEUQD-STQMWFEESA-N -1 3 355.348 3.196 20 0 FGADHM Cc1cccc(NC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000737400151 598570519 /nfs/dbraw/zinc/57/05/19/598570519.db2.gz QSGKOMOPVYZKIR-SFHVURJKSA-N -1 3 362.437 3.091 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)O[C@H]1CCCc2ccccc2C1=O ZINC000737801191 598584050 /nfs/dbraw/zinc/58/40/50/598584050.db2.gz MQGPXVPCMGRWLQ-HHNLSAEISA-N -1 3 374.400 3.011 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)O[C@H]1CCCc2ccccc2C1=O ZINC000737801191 598584052 /nfs/dbraw/zinc/58/40/52/598584052.db2.gz MQGPXVPCMGRWLQ-HHNLSAEISA-N -1 3 374.400 3.011 20 0 FGADHM COc1ccc(S[C@@H](C)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000737115822 598584919 /nfs/dbraw/zinc/58/49/19/598584919.db2.gz PBLGHCBYVQTFQJ-JTQLQIEISA-N -1 3 373.413 3.134 20 0 FGADHM COc1ccc(S[C@@H](C)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000737115822 598584921 /nfs/dbraw/zinc/58/49/21/598584921.db2.gz PBLGHCBYVQTFQJ-JTQLQIEISA-N -1 3 373.413 3.134 20 0 FGADHM Cc1ccccc1OCCCC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737431583 598588103 /nfs/dbraw/zinc/58/81/03/598588103.db2.gz KMZDVVNCDMVYKN-UHFFFAOYSA-N -1 3 355.373 3.112 20 0 FGADHM Cc1ccccc1OCCCC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737431583 598588105 /nfs/dbraw/zinc/58/81/05/598588105.db2.gz KMZDVVNCDMVYKN-UHFFFAOYSA-N -1 3 355.373 3.112 20 0 FGADHM C[C@H]1CCc2sc(C(=O)Nc3ccc(F)c(-c4nnn[n-]4)c3)cc2C1 ZINC000736281347 598590198 /nfs/dbraw/zinc/59/01/98/598590198.db2.gz VFIUOFRJZZWCPE-VIFPVBQESA-N -1 3 357.414 3.444 20 0 FGADHM C[C@H]1CCc2sc(C(=O)Nc3ccc(F)c(-c4nn[n-]n4)c3)cc2C1 ZINC000736281347 598590200 /nfs/dbraw/zinc/59/02/00/598590200.db2.gz VFIUOFRJZZWCPE-VIFPVBQESA-N -1 3 357.414 3.444 20 0 FGADHM CC(C)(C)c1ccc(OCC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000735652891 598590534 /nfs/dbraw/zinc/59/05/34/598590534.db2.gz XFEVONWCPQMRKU-UHFFFAOYSA-N -1 3 369.400 3.321 20 0 FGADHM CC(C)(C)c1ccc(OCC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000735652891 598590536 /nfs/dbraw/zinc/59/05/36/598590536.db2.gz XFEVONWCPQMRKU-UHFFFAOYSA-N -1 3 369.400 3.321 20 0 FGADHM O=C(C=Cc1nc2ccccc2s1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737805940 598590734 /nfs/dbraw/zinc/59/07/34/598590734.db2.gz JMENSIFAUDAADW-BQYQJAHWSA-N -1 3 366.381 3.267 20 0 FGADHM O=C(C=Cc1nc2ccccc2s1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737805940 598590736 /nfs/dbraw/zinc/59/07/36/598590736.db2.gz JMENSIFAUDAADW-BQYQJAHWSA-N -1 3 366.381 3.267 20 0 FGADHM Cc1nc2ccccc2n1CCCNc1ncc(-c2nnn[n-]2)cc1Cl ZINC000737489558 598592501 /nfs/dbraw/zinc/59/25/01/598592501.db2.gz JVSIDXBMTGLSCU-UHFFFAOYSA-N -1 3 368.832 3.075 20 0 FGADHM Cc1nc2ccccc2n1CCCNc1ncc(-c2nn[n-]n2)cc1Cl ZINC000737489558 598592503 /nfs/dbraw/zinc/59/25/03/598592503.db2.gz JVSIDXBMTGLSCU-UHFFFAOYSA-N -1 3 368.832 3.075 20 0 FGADHM CCC[C@H](NC(=O)COc1ccccc1-c1nnn[n-]1)C1CCCCC1 ZINC000736430477 598593170 /nfs/dbraw/zinc/59/31/70/598593170.db2.gz LCVUJNHQOTXVSJ-INIZCTEOSA-N -1 3 357.458 3.111 20 0 FGADHM CCC[C@H](NC(=O)COc1ccccc1-c1nn[n-]n1)C1CCCCC1 ZINC000736430477 598593171 /nfs/dbraw/zinc/59/31/71/598593171.db2.gz LCVUJNHQOTXVSJ-INIZCTEOSA-N -1 3 357.458 3.111 20 0 FGADHM Fc1ccc(NCc2c(F)c(F)c(F)c(F)c2F)cc1-c1nnn[n-]1 ZINC000737656543 598603467 /nfs/dbraw/zinc/60/34/67/598603467.db2.gz OFDCFHHKIJTBGJ-UHFFFAOYSA-N -1 3 359.233 3.313 20 0 FGADHM Fc1ccc(NCc2c(F)c(F)c(F)c(F)c2F)cc1-c1nn[n-]n1 ZINC000737656543 598603468 /nfs/dbraw/zinc/60/34/68/598603468.db2.gz OFDCFHHKIJTBGJ-UHFFFAOYSA-N -1 3 359.233 3.313 20 0 FGADHM Cc1cc(C)c(NC(=O)CNc2ccc(F)c(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000737246148 598603911 /nfs/dbraw/zinc/60/39/11/598603911.db2.gz KFSKAKGLOGKASN-UHFFFAOYSA-N -1 3 374.807 3.327 20 0 FGADHM Cc1cc(C)c(NC(=O)CNc2ccc(F)c(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000737246148 598603913 /nfs/dbraw/zinc/60/39/13/598603913.db2.gz KFSKAKGLOGKASN-UHFFFAOYSA-N -1 3 374.807 3.327 20 0 FGADHM Clc1ccccc1Cc1noc(COc2cccc(-c3nnn[n-]3)c2)n1 ZINC000737585134 598610403 /nfs/dbraw/zinc/61/04/03/598610403.db2.gz ZVNBNFICTYJJHF-UHFFFAOYSA-N -1 3 368.784 3.073 20 0 FGADHM Clc1ccccc1Cc1noc(COc2cccc(-c3nn[n-]n3)c2)n1 ZINC000737585134 598610404 /nfs/dbraw/zinc/61/04/04/598610404.db2.gz ZVNBNFICTYJJHF-UHFFFAOYSA-N -1 3 368.784 3.073 20 0 FGADHM CC1(C)CCCN1C(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000736210879 598613014 /nfs/dbraw/zinc/61/30/14/598613014.db2.gz HWHYPHRUHXQWQO-UHFFFAOYSA-N -1 3 367.409 3.053 20 0 FGADHM C[C@H]1C[C@@H]1c1ccc(CNC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)o1 ZINC000736235260 598628511 /nfs/dbraw/zinc/62/85/11/598628511.db2.gz FHMJADWOPGJQAX-CABZTGNLSA-N -1 3 356.361 3.044 20 0 FGADHM C[C@H]1C[C@@H]1c1ccc(CNC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)o1 ZINC000736235260 598628512 /nfs/dbraw/zinc/62/85/12/598628512.db2.gz FHMJADWOPGJQAX-CABZTGNLSA-N -1 3 356.361 3.044 20 0 FGADHM C[C@@H](Nc1cc(Cl)ccc1-c1nnn[n-]1)c1ccc(-n2cncn2)cc1 ZINC000736140002 598630073 /nfs/dbraw/zinc/63/00/73/598630073.db2.gz SQTIAANTDFVDDQ-LLVKDONJSA-N -1 3 366.816 3.274 20 0 FGADHM C[C@@H](Nc1cc(Cl)ccc1-c1nn[n-]n1)c1ccc(-n2cncn2)cc1 ZINC000736140002 598630074 /nfs/dbraw/zinc/63/00/74/598630074.db2.gz SQTIAANTDFVDDQ-LLVKDONJSA-N -1 3 366.816 3.274 20 0 FGADHM CCCN(Cc1ccccc1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736479231 598630912 /nfs/dbraw/zinc/63/09/12/598630912.db2.gz FDDIUTDHBKDIAG-UHFFFAOYSA-N -1 3 354.389 3.450 20 0 FGADHM CCCN(Cc1ccccc1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736479231 598630913 /nfs/dbraw/zinc/63/09/13/598630913.db2.gz FDDIUTDHBKDIAG-UHFFFAOYSA-N -1 3 354.389 3.450 20 0 FGADHM Cc1cc(C)c(NC(=O)CNc2cc(Cl)ccc2-c2nnn[n-]2)c(C)c1 ZINC000737246114 598631647 /nfs/dbraw/zinc/63/16/47/598631647.db2.gz JRSDVULLBRMADS-UHFFFAOYSA-N -1 3 370.844 3.496 20 0 FGADHM Cc1cc(C)c(NC(=O)CNc2cc(Cl)ccc2-c2nn[n-]n2)c(C)c1 ZINC000737246114 598631648 /nfs/dbraw/zinc/63/16/48/598631648.db2.gz JRSDVULLBRMADS-UHFFFAOYSA-N -1 3 370.844 3.496 20 0 FGADHM C[C@H]1CN(c2cc(Cl)ccc2-c2nnn[n-]2)C[C@H](c2ccccc2)O1 ZINC000736290215 598634488 /nfs/dbraw/zinc/63/44/88/598634488.db2.gz QDQNCPVWDDCEAE-YVEFUNNKSA-N -1 3 355.829 3.487 20 0 FGADHM C[C@H]1CN(c2cc(Cl)ccc2-c2nn[n-]n2)C[C@H](c2ccccc2)O1 ZINC000736290215 598634490 /nfs/dbraw/zinc/63/44/90/598634490.db2.gz QDQNCPVWDDCEAE-YVEFUNNKSA-N -1 3 355.829 3.487 20 0 FGADHM CC[C@H]1CCCCN1C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736400524 598643272 /nfs/dbraw/zinc/64/32/72/598643272.db2.gz PGLPJNZEKRXWLC-INIZCTEOSA-N -1 3 357.458 3.207 20 0 FGADHM CC[C@H]1CCCCN1C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736400524 598643274 /nfs/dbraw/zinc/64/32/74/598643274.db2.gz PGLPJNZEKRXWLC-INIZCTEOSA-N -1 3 357.458 3.207 20 0 FGADHM Fc1ccc(-c2nc(COc3ccc(-c4nn[n-]n4)cc3)co2)cc1F ZINC000737650439 598643574 /nfs/dbraw/zinc/64/35/74/598643574.db2.gz IEWYZWICAGUJIC-UHFFFAOYSA-N -1 3 355.304 3.379 20 0 FGADHM CCN(C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)C1CCCC1 ZINC000736501893 598651755 /nfs/dbraw/zinc/65/17/55/598651755.db2.gz HVKFBUVUKHZSIW-UHFFFAOYSA-N -1 3 357.458 3.207 20 0 FGADHM CCN(C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)C1CCCC1 ZINC000736501893 598651756 /nfs/dbraw/zinc/65/17/56/598651756.db2.gz HVKFBUVUKHZSIW-UHFFFAOYSA-N -1 3 357.458 3.207 20 0 FGADHM C[C@H](NC(=O)C(C)(C)c1ccc(F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736096491 598651979 /nfs/dbraw/zinc/65/19/79/598651979.db2.gz MRJRBIGKEYWLLI-LBPRGKRZSA-N -1 3 353.401 3.161 20 0 FGADHM C[C@H](NC(=O)C(C)(C)c1ccc(F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736096491 598651982 /nfs/dbraw/zinc/65/19/82/598651982.db2.gz MRJRBIGKEYWLLI-LBPRGKRZSA-N -1 3 353.401 3.161 20 0 FGADHM CCN(CCc1cccs1)C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736541755 598652150 /nfs/dbraw/zinc/65/21/50/598652150.db2.gz JNKBISZOWCROCO-UHFFFAOYSA-N -1 3 373.507 3.112 20 0 FGADHM CCN(CCc1cccs1)C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736541755 598652151 /nfs/dbraw/zinc/65/21/51/598652151.db2.gz JNKBISZOWCROCO-UHFFFAOYSA-N -1 3 373.507 3.112 20 0 FGADHM C[C@H](CSc1ccccc1)C(=O)N(C)c1cccc(-c2nnn[n-]2)c1 ZINC000736047556 598654289 /nfs/dbraw/zinc/65/42/89/598654289.db2.gz RPYZBISDZCEWSE-CYBMUJFWSA-N -1 3 353.451 3.258 20 0 FGADHM C[C@H](CSc1ccccc1)C(=O)N(C)c1cccc(-c2nn[n-]n2)c1 ZINC000736047556 598654291 /nfs/dbraw/zinc/65/42/91/598654291.db2.gz RPYZBISDZCEWSE-CYBMUJFWSA-N -1 3 353.451 3.258 20 0 FGADHM CCN(C(=O)CSc1ccc(-c2nnn[n-]2)cc1)[C@@H]1CCCC[C@@H]1C ZINC000736506213 598657782 /nfs/dbraw/zinc/65/77/82/598657782.db2.gz YOJKMMIRDYKGCL-XJKSGUPXSA-N -1 3 359.499 3.386 20 0 FGADHM CCN(C(=O)CSc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCCC[C@@H]1C ZINC000736506213 598657784 /nfs/dbraw/zinc/65/77/84/598657784.db2.gz YOJKMMIRDYKGCL-XJKSGUPXSA-N -1 3 359.499 3.386 20 0 FGADHM CCCC[C@H]1CCC[C@H]1NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736441308 598657956 /nfs/dbraw/zinc/65/79/56/598657956.db2.gz PGIHAYHULHOSPF-XJKSGUPXSA-N -1 3 359.499 3.434 20 0 FGADHM CCCC[C@H]1CCC[C@H]1NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736441308 598657958 /nfs/dbraw/zinc/65/79/58/598657958.db2.gz PGIHAYHULHOSPF-XJKSGUPXSA-N -1 3 359.499 3.434 20 0 FGADHM CC1(CNC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)CCCC1 ZINC000736217365 598665020 /nfs/dbraw/zinc/66/50/20/598665020.db2.gz UFXMTSVAGIHEOX-UHFFFAOYSA-N -1 3 357.458 3.112 20 0 FGADHM CC1(CNC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)CCCC1 ZINC000736217365 598665022 /nfs/dbraw/zinc/66/50/22/598665022.db2.gz UFXMTSVAGIHEOX-UHFFFAOYSA-N -1 3 357.458 3.112 20 0 FGADHM CN(C[C@@H]1OCCc2ccccc21)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736791320 598669681 /nfs/dbraw/zinc/66/96/81/598669681.db2.gz LHBQARRHDDWRIZ-KRWDZBQOSA-N -1 3 355.829 3.270 20 0 FGADHM CN(C[C@@H]1OCCc2ccccc21)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736791320 598669682 /nfs/dbraw/zinc/66/96/82/598669682.db2.gz LHBQARRHDDWRIZ-KRWDZBQOSA-N -1 3 355.829 3.270 20 0 FGADHM O=C(c1cccc(-c2nnn[n-]2)c1)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000738270724 598670356 /nfs/dbraw/zinc/67/03/56/598670356.db2.gz WBQDODIGXAPMIX-HNNXBMFYSA-N -1 3 353.813 3.150 20 0 FGADHM O=C(c1cccc(-c2nn[n-]n2)c1)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000738270724 598670358 /nfs/dbraw/zinc/67/03/58/598670358.db2.gz WBQDODIGXAPMIX-HNNXBMFYSA-N -1 3 353.813 3.150 20 0 FGADHM Fc1ccc(CN[C@@H](c2nccs2)c2ccccc2)c(-c2nnn[n-]2)c1 ZINC000737651996 598684654 /nfs/dbraw/zinc/68/46/54/598684654.db2.gz ZXUZHMLIFBNKDK-MRXNPFEDSA-N -1 3 366.425 3.342 20 0 FGADHM Fc1ccc(CN[C@@H](c2nccs2)c2ccccc2)c(-c2nn[n-]n2)c1 ZINC000737651996 598684656 /nfs/dbraw/zinc/68/46/56/598684656.db2.gz ZXUZHMLIFBNKDK-MRXNPFEDSA-N -1 3 366.425 3.342 20 0 FGADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C(C)(C)c1ccccc1Cl ZINC000736821003 598736353 /nfs/dbraw/zinc/73/63/53/598736353.db2.gz TWLLZOZHAFCWBF-UHFFFAOYSA-N -1 3 369.856 3.456 20 0 FGADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C(C)(C)c1ccccc1Cl ZINC000736821003 598736355 /nfs/dbraw/zinc/73/63/55/598736355.db2.gz TWLLZOZHAFCWBF-UHFFFAOYSA-N -1 3 369.856 3.456 20 0 FGADHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)CCCC(C)(C)C ZINC000737002618 598736941 /nfs/dbraw/zinc/73/69/41/598736941.db2.gz PTJPRBMZCHWNRU-UHFFFAOYSA-N -1 3 359.474 3.058 20 0 FGADHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)CCCC(C)(C)C ZINC000737002618 598736942 /nfs/dbraw/zinc/73/69/42/598736942.db2.gz PTJPRBMZCHWNRU-UHFFFAOYSA-N -1 3 359.474 3.058 20 0 FGADHM C[C@H](CCCOCc1ccccc1)OC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000735986325 598739667 /nfs/dbraw/zinc/73/96/67/598739667.db2.gz RGJHORNAHPOUOP-OAHLLOKOSA-N -1 3 366.421 3.409 20 0 FGADHM C[C@H](CCCOCc1ccccc1)OC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000735986325 598739668 /nfs/dbraw/zinc/73/96/68/598739668.db2.gz RGJHORNAHPOUOP-OAHLLOKOSA-N -1 3 366.421 3.409 20 0 FGADHM C[C@@H](Cc1ccccc1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000736059118 598741169 /nfs/dbraw/zinc/74/11/69/598741169.db2.gz QMUIAMOSSMXQKO-NSHDSACASA-N -1 3 373.363 3.285 20 0 FGADHM C[C@@H](Cc1ccccc1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000736059118 598741170 /nfs/dbraw/zinc/74/11/70/598741170.db2.gz QMUIAMOSSMXQKO-NSHDSACASA-N -1 3 373.363 3.285 20 0 FGADHM CN(Cc1ccccn1)c1c(-c2nnn[n-]2)cnc2c(F)ccc(Cl)c21 ZINC000736827917 598746029 /nfs/dbraw/zinc/74/60/29/598746029.db2.gz DCEGPWVUMDZEHH-UHFFFAOYSA-N -1 3 369.791 3.239 20 0 FGADHM CN(Cc1ccccn1)c1c(-c2nn[n-]n2)cnc2c(F)ccc(Cl)c21 ZINC000736827917 598746030 /nfs/dbraw/zinc/74/60/30/598746030.db2.gz DCEGPWVUMDZEHH-UHFFFAOYSA-N -1 3 369.791 3.239 20 0 FGADHM Cc1ncsc1CN(C)c1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21 ZINC000737504183 598773569 /nfs/dbraw/zinc/77/35/69/598773569.db2.gz VIBWJEUHOGOUEJ-UHFFFAOYSA-N -1 3 373.392 3.094 20 0 FGADHM Cc1ncsc1CN(C)c1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21 ZINC000737504183 598773571 /nfs/dbraw/zinc/77/35/71/598773571.db2.gz VIBWJEUHOGOUEJ-UHFFFAOYSA-N -1 3 373.392 3.094 20 0 FGADHM C[C@@H](NC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cccc(O)c1 ZINC000736114847 598780928 /nfs/dbraw/zinc/78/09/28/598780928.db2.gz CXEALHJUAYLZDS-SECBINFHSA-N -1 3 358.789 3.108 20 0 FGADHM C[C@@H](NC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cccc(O)c1 ZINC000736114847 598780930 /nfs/dbraw/zinc/78/09/30/598780930.db2.gz CXEALHJUAYLZDS-SECBINFHSA-N -1 3 358.789 3.108 20 0 FGADHM CC(C)[C@@H]1CCC[C@H](NC(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000735747214 598783030 /nfs/dbraw/zinc/78/30/30/598783030.db2.gz QIHXUOSFVBFWPR-SJORKVTESA-N -1 3 356.474 3.223 20 0 FGADHM CC(C)[C@@H]1CCC[C@H](NC(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000735747214 598783031 /nfs/dbraw/zinc/78/30/31/598783031.db2.gz QIHXUOSFVBFWPR-SJORKVTESA-N -1 3 356.474 3.223 20 0 FGADHM CCOc1ncc(C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1Cl ZINC000736654627 598784991 /nfs/dbraw/zinc/78/49/91/598784991.db2.gz HZCWCILEKJOOKQ-JTQLQIEISA-N -1 3 373.800 3.232 20 0 FGADHM CCOc1ncc(C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1Cl ZINC000736654627 598784993 /nfs/dbraw/zinc/78/49/93/598784993.db2.gz HZCWCILEKJOOKQ-JTQLQIEISA-N -1 3 373.800 3.232 20 0 FGADHM CC(C)(C)[C@H](COc1ccccc1F)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000735589870 598788193 /nfs/dbraw/zinc/78/81/93/598788193.db2.gz QAPGYUPSQMUAJB-HNNXBMFYSA-N -1 3 356.405 3.306 20 0 FGADHM CC(C)(C)[C@H](COc1ccccc1F)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000735589870 598788194 /nfs/dbraw/zinc/78/81/94/598788194.db2.gz QAPGYUPSQMUAJB-HNNXBMFYSA-N -1 3 356.405 3.306 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)CO[C@H]1CCC[C@H](C)C1 ZINC000736480015 598789756 /nfs/dbraw/zinc/78/97/56/598789756.db2.gz PFBYVLSUVXVJJA-YJBOKZPZSA-N -1 3 371.485 3.201 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)CO[C@H]1CCC[C@H](C)C1 ZINC000736480015 598789757 /nfs/dbraw/zinc/78/97/57/598789757.db2.gz PFBYVLSUVXVJJA-YJBOKZPZSA-N -1 3 371.485 3.201 20 0 FGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H]1CCc2ccccc21 ZINC000735875645 598789995 /nfs/dbraw/zinc/78/99/95/598789995.db2.gz XXGLRPCKFHITDD-IBGZPJMESA-N -1 3 361.449 3.334 20 0 FGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H]1CCc2ccccc21 ZINC000735875645 598789996 /nfs/dbraw/zinc/78/99/96/598789996.db2.gz XXGLRPCKFHITDD-IBGZPJMESA-N -1 3 361.449 3.334 20 0 FGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCCC(C)(C)C1 ZINC000735905466 598799680 /nfs/dbraw/zinc/79/96/80/598799680.db2.gz JJKONHCVWLLLLB-UHFFFAOYSA-N -1 3 358.446 3.308 20 0 FGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCCC(C)(C)C1 ZINC000735905466 598799682 /nfs/dbraw/zinc/79/96/82/598799682.db2.gz JJKONHCVWLLLLB-UHFFFAOYSA-N -1 3 358.446 3.308 20 0 FGADHM CCC[C@@H]1CCc2c(sc(=O)n2Cc2ccccc2-c2nnn[n-]2)C1 ZINC000736437736 598818463 /nfs/dbraw/zinc/81/84/63/598818463.db2.gz XDKBFRYCVALBCC-GFCCVEGCSA-N -1 3 355.467 3.043 20 0 FGADHM CCC[C@@H]1CCc2c(sc(=O)n2Cc2ccccc2-c2nn[n-]n2)C1 ZINC000736437736 598818464 /nfs/dbraw/zinc/81/84/64/598818464.db2.gz XDKBFRYCVALBCC-GFCCVEGCSA-N -1 3 355.467 3.043 20 0 FGADHM COC(=O)c1cccc(CSCc2cc(-c3nnn[n-]3)ccc2OC)c1 ZINC000821670159 607367711 /nfs/dbraw/zinc/36/77/11/607367711.db2.gz PLBGTSZYNHGMET-UHFFFAOYSA-N -1 3 370.434 3.095 20 0 FGADHM COC(=O)c1cccc(CSCc2cc(-c3nn[n-]n3)ccc2OC)c1 ZINC000821670159 607367713 /nfs/dbraw/zinc/36/77/13/607367713.db2.gz PLBGTSZYNHGMET-UHFFFAOYSA-N -1 3 370.434 3.095 20 0 FGADHM CN(C(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736733462 599307602 /nfs/dbraw/zinc/30/76/02/599307602.db2.gz VMOATFISWLARCQ-VXGBXAGGSA-N -1 3 353.348 3.198 20 0 FGADHM CN(C(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736733462 599307605 /nfs/dbraw/zinc/30/76/05/599307605.db2.gz VMOATFISWLARCQ-VXGBXAGGSA-N -1 3 353.348 3.198 20 0 FGADHM CCN(C(=O)Cc1c[nH]c2cc(F)ccc12)c1ccc(-c2nnn[n-]2)cc1 ZINC000736505618 599311978 /nfs/dbraw/zinc/31/19/78/599311978.db2.gz PEMSVJCOAKRIQS-UHFFFAOYSA-N -1 3 364.384 3.083 20 0 FGADHM CCN(C(=O)Cc1c[nH]c2cc(F)ccc12)c1ccc(-c2nn[n-]n2)cc1 ZINC000736505618 599311981 /nfs/dbraw/zinc/31/19/81/599311981.db2.gz PEMSVJCOAKRIQS-UHFFFAOYSA-N -1 3 364.384 3.083 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NCc1ccc(OC(F)F)cc1 ZINC000736634076 599327781 /nfs/dbraw/zinc/32/77/81/599327781.db2.gz FRIMJZBMTTUDEK-UHFFFAOYSA-N -1 3 361.352 3.479 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NCc1ccc(OC(F)F)cc1 ZINC000736634076 599327783 /nfs/dbraw/zinc/32/77/83/599327783.db2.gz FRIMJZBMTTUDEK-UHFFFAOYSA-N -1 3 361.352 3.479 20 0 FGADHM CC(C)(C)c1nc(CNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)no1 ZINC000735657055 599332031 /nfs/dbraw/zinc/33/20/31/599332031.db2.gz NTVLSKFWCIHVCG-UHFFFAOYSA-N -1 3 367.335 3.178 20 0 FGADHM CC(C)(C)c1nc(CNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)no1 ZINC000735657055 599332033 /nfs/dbraw/zinc/33/20/33/599332033.db2.gz NTVLSKFWCIHVCG-UHFFFAOYSA-N -1 3 367.335 3.178 20 0 FGADHM C[C@@H](SCC(=O)N(C)C1CCCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736187559 599332433 /nfs/dbraw/zinc/33/24/33/599332433.db2.gz BSUXYFVMMJNUBZ-CYBMUJFWSA-N -1 3 359.499 3.452 20 0 FGADHM C[C@@H](SCC(=O)N(C)C1CCCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736187559 599332437 /nfs/dbraw/zinc/33/24/37/599332437.db2.gz BSUXYFVMMJNUBZ-CYBMUJFWSA-N -1 3 359.499 3.452 20 0 FGADHM C[C@@H](SC1=Nc2ccccc2C1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736187944 599340043 /nfs/dbraw/zinc/34/00/43/599340043.db2.gz DTDJDTZQPPUEIZ-LLVKDONJSA-N -1 3 364.434 3.213 20 0 FGADHM C[C@@H](SC1=Nc2ccccc2C1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736187944 599340046 /nfs/dbraw/zinc/34/00/46/599340046.db2.gz DTDJDTZQPPUEIZ-LLVKDONJSA-N -1 3 364.434 3.213 20 0 FGADHM C[C@@H](Sc1ccccc1-c1nnn[n-]1)C(=O)Nc1cccnc1Cl ZINC000820555622 599347073 /nfs/dbraw/zinc/34/70/73/599347073.db2.gz OEKQUNQWYWSZOR-SECBINFHSA-N -1 3 360.830 3.034 20 0 FGADHM C[C@@H](Sc1ccccc1-c1nn[n-]n1)C(=O)Nc1cccnc1Cl ZINC000820555622 599347076 /nfs/dbraw/zinc/34/70/76/599347076.db2.gz OEKQUNQWYWSZOR-SECBINFHSA-N -1 3 360.830 3.034 20 0 FGADHM Cc1cc(N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)nc(-c2ccccn2)n1 ZINC000822209790 599353083 /nfs/dbraw/zinc/35/30/83/599353083.db2.gz XGNLVGJRDFQDRG-ZDUSSCGKSA-N -1 3 358.409 3.200 20 0 FGADHM Cc1cc(N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)nc(-c2ccccn2)n1 ZINC000822209790 599353085 /nfs/dbraw/zinc/35/30/85/599353085.db2.gz XGNLVGJRDFQDRG-ZDUSSCGKSA-N -1 3 358.409 3.200 20 0 FGADHM Cc1c(Cl)ccc2c1N(C(=O)c1cccc(-c3nnn[n-]3)c1)CCC2 ZINC000737215000 599383221 /nfs/dbraw/zinc/38/32/21/599383221.db2.gz DFHWNZRTLGCMCI-UHFFFAOYSA-N -1 3 353.813 3.422 20 0 FGADHM Cc1c(Cl)ccc2c1N(C(=O)c1cccc(-c3nn[n-]n3)c1)CCC2 ZINC000737215000 599383224 /nfs/dbraw/zinc/38/32/24/599383224.db2.gz DFHWNZRTLGCMCI-UHFFFAOYSA-N -1 3 353.813 3.422 20 0 FGADHM CCOC(=O)[C@@H](C)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000821313842 599386541 /nfs/dbraw/zinc/38/65/41/599386541.db2.gz IVKYRLBOOUBUCM-LLVKDONJSA-N -1 3 371.372 3.162 20 0 FGADHM CCOC(=O)[C@@H](C)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000821313842 599386544 /nfs/dbraw/zinc/38/65/44/599386544.db2.gz IVKYRLBOOUBUCM-LLVKDONJSA-N -1 3 371.372 3.162 20 0 FGADHM O=C(Nc1ccsc1)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000738198291 599388392 /nfs/dbraw/zinc/38/83/92/599388392.db2.gz PPUVIOGPCVITAB-UHFFFAOYSA-N -1 3 364.390 3.368 20 0 FGADHM O=C(Nc1ccsc1)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000738198291 599388393 /nfs/dbraw/zinc/38/83/93/599388393.db2.gz PPUVIOGPCVITAB-UHFFFAOYSA-N -1 3 364.390 3.368 20 0 FGADHM COc1cc([C@@H](C)NCc2ccc(-c3nnn[n-]3)o2)ccc1OCC(C)C ZINC000821708546 599399050 /nfs/dbraw/zinc/39/90/50/599399050.db2.gz SCPHUHBMOTZWIE-CYBMUJFWSA-N -1 3 371.441 3.354 20 0 FGADHM CCc1ccc(CNC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)s1 ZINC000821487903 599409535 /nfs/dbraw/zinc/40/95/35/599409535.db2.gz ZXNPAUAQDGHZQL-NSHDSACASA-N -1 3 356.455 3.051 20 0 FGADHM CCc1ccc(CNC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)s1 ZINC000821487903 599409538 /nfs/dbraw/zinc/40/95/38/599409538.db2.gz ZXNPAUAQDGHZQL-NSHDSACASA-N -1 3 356.455 3.051 20 0 FGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)N[C@H](CC1CC1)c1ccccc1 ZINC000823246120 599410118 /nfs/dbraw/zinc/41/01/18/599410118.db2.gz CIHXSNFOCAAILA-GOSISDBHSA-N -1 3 362.437 3.207 20 0 FGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)N[C@H](CC1CC1)c1ccccc1 ZINC000823246120 599410119 /nfs/dbraw/zinc/41/01/19/599410119.db2.gz CIHXSNFOCAAILA-GOSISDBHSA-N -1 3 362.437 3.207 20 0 FGADHM COc1ccc(CNc2cccc(COC(C)C)c2)cc1-c1nnn[n-]1 ZINC000821821454 599415918 /nfs/dbraw/zinc/41/59/18/599415918.db2.gz GRYAXCYLHNCWLK-UHFFFAOYSA-N -1 3 353.426 3.412 20 0 FGADHM COc1ccc(CNc2cccc(COC(C)C)c2)cc1-c1nn[n-]n1 ZINC000821821454 599415920 /nfs/dbraw/zinc/41/59/20/599415920.db2.gz GRYAXCYLHNCWLK-UHFFFAOYSA-N -1 3 353.426 3.412 20 0 FGADHM Cc1ccc2c(c1)CC[C@H]2NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822275168 599423311 /nfs/dbraw/zinc/42/33/11/599423311.db2.gz OUDIMFTYNFJWJH-SCLBCKFNSA-N -1 3 362.437 3.223 20 0 FGADHM Cc1ccc2c(c1)CC[C@H]2NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822275168 599423313 /nfs/dbraw/zinc/42/33/13/599423313.db2.gz OUDIMFTYNFJWJH-SCLBCKFNSA-N -1 3 362.437 3.223 20 0 FGADHM CCc1nccn1[C@H]1CCCN(c2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000736706623 599431856 /nfs/dbraw/zinc/43/18/56/599431856.db2.gz YCUXROBFQQXKGY-ZDUSSCGKSA-N -1 3 357.849 3.121 20 0 FGADHM Fc1ccc(OCCNc2cc(Cl)ccc2-c2nnn[n-]2)cc1F ZINC000737656388 599432677 /nfs/dbraw/zinc/43/26/77/599432677.db2.gz LVOOGPKOWKAPIZ-UHFFFAOYSA-N -1 3 351.744 3.289 20 0 FGADHM Fc1ccc(OCCNc2cc(Cl)ccc2-c2nn[n-]n2)cc1F ZINC000737656388 599432681 /nfs/dbraw/zinc/43/26/81/599432681.db2.gz LVOOGPKOWKAPIZ-UHFFFAOYSA-N -1 3 351.744 3.289 20 0 FGADHM C[C@@H](NC(=O)NCC[C@H]1CCC[C@@H](C)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820697830 599442003 /nfs/dbraw/zinc/44/20/03/599442003.db2.gz MUPTVSNGQMNMKK-RBSFLKMASA-N -1 3 356.474 3.443 20 0 FGADHM C[C@@H](NC(=O)NCC[C@H]1CCC[C@@H](C)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820697830 599442004 /nfs/dbraw/zinc/44/20/04/599442004.db2.gz MUPTVSNGQMNMKK-RBSFLKMASA-N -1 3 356.474 3.443 20 0 FGADHM CCCCc1noc([C@H](C)SCCOc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000736467174 599451607 /nfs/dbraw/zinc/45/16/07/599451607.db2.gz XDIACDPDUVZJCS-LBPRGKRZSA-N -1 3 374.470 3.466 20 0 FGADHM Cc1ccccc1N1CCN(c2c(Cl)cccc2-c2nnn[n-]2)CC1 ZINC000822361658 599465432 /nfs/dbraw/zinc/46/54/32/599465432.db2.gz FAUCXUZCJOENNB-UHFFFAOYSA-N -1 3 354.845 3.155 20 0 FGADHM Cc1ccccc1N1CCN(c2c(Cl)cccc2-c2nn[n-]n2)CC1 ZINC000822361658 599465434 /nfs/dbraw/zinc/46/54/34/599465434.db2.gz FAUCXUZCJOENNB-UHFFFAOYSA-N -1 3 354.845 3.155 20 0 FGADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C(C)(C)c1cccc(Cl)c1 ZINC000736815080 599466036 /nfs/dbraw/zinc/46/60/36/599466036.db2.gz VITWINPTZYWZBX-UHFFFAOYSA-N -1 3 369.856 3.456 20 0 FGADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C(C)(C)c1cccc(Cl)c1 ZINC000736815080 599466037 /nfs/dbraw/zinc/46/60/37/599466037.db2.gz VITWINPTZYWZBX-UHFFFAOYSA-N -1 3 369.856 3.456 20 0 FGADHM C[C@H](NC(=O)N(C)[C@@H](C)c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820342035 599470364 /nfs/dbraw/zinc/47/03/64/599470364.db2.gz SFBAQZKWIFETTN-KBPBESRZSA-N -1 3 350.426 3.330 20 0 FGADHM C[C@H](NC(=O)N(C)[C@@H](C)c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820342035 599470365 /nfs/dbraw/zinc/47/03/65/599470365.db2.gz SFBAQZKWIFETTN-KBPBESRZSA-N -1 3 350.426 3.330 20 0 FGADHM O=C(CN1CCCCC[C@@H]1c1ccco1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000737873084 599478814 /nfs/dbraw/zinc/47/88/14/599478814.db2.gz KOGFJVIUROYOBX-MRXNPFEDSA-N -1 3 366.425 3.016 20 0 FGADHM CCO[C@H](C)c1noc(CS[C@H](C)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000736617984 599481023 /nfs/dbraw/zinc/48/10/23/599481023.db2.gz SZKJABZSKLRFAA-GHMZBOCLSA-N -1 3 360.443 3.342 20 0 FGADHM CCO[C@H](C)c1noc(CS[C@H](C)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000736617984 599481025 /nfs/dbraw/zinc/48/10/25/599481025.db2.gz SZKJABZSKLRFAA-GHMZBOCLSA-N -1 3 360.443 3.342 20 0 FGADHM CC[C@@H](NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000820919967 599486081 /nfs/dbraw/zinc/48/60/81/599486081.db2.gz IKNHOXNUJANRFG-SUMWQHHRSA-N -1 3 350.426 3.378 20 0 FGADHM CC[C@@H](NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000820919967 599486083 /nfs/dbraw/zinc/48/60/83/599486083.db2.gz IKNHOXNUJANRFG-SUMWQHHRSA-N -1 3 350.426 3.378 20 0 FGADHM Cc1nc(-c2ccccc2)[nH]c1C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822005992 599505140 /nfs/dbraw/zinc/50/51/40/599505140.db2.gz WIELAKKCNZNEQV-GFCCVEGCSA-N -1 3 373.420 3.056 20 0 FGADHM Cc1nc(-c2ccccc2)[nH]c1C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822005992 599505142 /nfs/dbraw/zinc/50/51/42/599505142.db2.gz WIELAKKCNZNEQV-GFCCVEGCSA-N -1 3 373.420 3.056 20 0 FGADHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(NCCCOC3CCCC3)c2c1 ZINC000822195242 599505981 /nfs/dbraw/zinc/50/59/81/599505981.db2.gz LLFSEHHXUMIFKH-UHFFFAOYSA-N -1 3 366.469 3.215 20 0 FGADHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(NCCCOC3CCCC3)c2c1 ZINC000822195242 599505983 /nfs/dbraw/zinc/50/59/83/599505983.db2.gz LLFSEHHXUMIFKH-UHFFFAOYSA-N -1 3 366.469 3.215 20 0 FGADHM Cc1nc(CC(C)C)sc1C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822436002 599507703 /nfs/dbraw/zinc/50/77/03/599507703.db2.gz FDHXMIJMWKZXQC-NSHDSACASA-N -1 3 370.482 3.321 20 0 FGADHM Cc1nc(CC(C)C)sc1C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822436002 599507705 /nfs/dbraw/zinc/50/77/05/599507705.db2.gz FDHXMIJMWKZXQC-NSHDSACASA-N -1 3 370.482 3.321 20 0 FGADHM Cc1nc([C@@H]2CCCN(c3ccc(F)cc3-c3nnn[n-]3)C2)sc1C ZINC000822436265 599508938 /nfs/dbraw/zinc/50/89/38/599508938.db2.gz KEUQCOHJCHPHKA-GFCCVEGCSA-N -1 3 358.446 3.463 20 0 FGADHM Cc1nc([C@@H]2CCCN(c3ccc(F)cc3-c3nn[n-]n3)C2)sc1C ZINC000822436265 599508941 /nfs/dbraw/zinc/50/89/41/599508941.db2.gz KEUQCOHJCHPHKA-GFCCVEGCSA-N -1 3 358.446 3.463 20 0 FGADHM CC(C)(C)c1cn2c(n1)CC[C@H](Nc1c(Cl)cccc1-c1nnn[n-]1)C2 ZINC000819957750 599509999 /nfs/dbraw/zinc/50/99/99/599509999.db2.gz CYOZSLORHJLHCG-NSHDSACASA-N -1 3 371.876 3.441 20 0 FGADHM CC(C)(C)c1cn2c(n1)CC[C@H](Nc1c(Cl)cccc1-c1nn[n-]n1)C2 ZINC000819957750 599510002 /nfs/dbraw/zinc/51/00/02/599510002.db2.gz CYOZSLORHJLHCG-NSHDSACASA-N -1 3 371.876 3.441 20 0 FGADHM C[C@H](NC(=O)c1csc(C(C)(C)C)n1)c1cccc(-c2nnn[n-]2)c1 ZINC000820403797 599512663 /nfs/dbraw/zinc/51/26/63/599512663.db2.gz MUAASHDNZLCPKD-JTQLQIEISA-N -1 3 356.455 3.112 20 0 FGADHM C[C@H](NC(=O)c1csc(C(C)(C)C)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000820403797 599512664 /nfs/dbraw/zinc/51/26/64/599512664.db2.gz MUAASHDNZLCPKD-JTQLQIEISA-N -1 3 356.455 3.112 20 0 FGADHM C[C@H](NC(=O)C1(c2ccc(F)cc2)CCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820321176 599513318 /nfs/dbraw/zinc/51/33/18/599513318.db2.gz BYYSOFKUDMFAOH-ZDUSSCGKSA-N -1 3 365.412 3.305 20 0 FGADHM C[C@H](NC(=O)C1(c2ccc(F)cc2)CCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820321176 599513320 /nfs/dbraw/zinc/51/33/20/599513320.db2.gz BYYSOFKUDMFAOH-ZDUSSCGKSA-N -1 3 365.412 3.305 20 0 FGADHM CN(C[C@H]1OCCc2ccccc21)c1c(Cl)cccc1-c1nnn[n-]1 ZINC000821598012 599514098 /nfs/dbraw/zinc/51/40/98/599514098.db2.gz NUYKEJNEWMLGGC-MRXNPFEDSA-N -1 3 355.829 3.270 20 0 FGADHM CN(C[C@H]1OCCc2ccccc21)c1c(Cl)cccc1-c1nn[n-]n1 ZINC000821598012 599514099 /nfs/dbraw/zinc/51/40/99/599514099.db2.gz NUYKEJNEWMLGGC-MRXNPFEDSA-N -1 3 355.829 3.270 20 0 FGADHM C[C@H](NC(=O)c1c[nH]cc1-c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820384612 599516500 /nfs/dbraw/zinc/51/65/00/599516500.db2.gz JBWAQGGRLAANBH-ZDUSSCGKSA-N -1 3 358.405 3.353 20 0 FGADHM C[C@H](NC(=O)c1c[nH]cc1-c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820384612 599516505 /nfs/dbraw/zinc/51/65/05/599516505.db2.gz JBWAQGGRLAANBH-ZDUSSCGKSA-N -1 3 358.405 3.353 20 0 FGADHM C[C@@H](NC(=O)CCOc1ccccc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000820329658 599516814 /nfs/dbraw/zinc/51/68/14/599516814.db2.gz YFFUUYHRXDNKCO-GFCCVEGCSA-N -1 3 371.828 3.166 20 0 FGADHM C[C@@H](NC(=O)CCOc1ccccc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000820329658 599516816 /nfs/dbraw/zinc/51/68/16/599516816.db2.gz YFFUUYHRXDNKCO-GFCCVEGCSA-N -1 3 371.828 3.166 20 0 FGADHM C[C@@H](NC(=O)[C@@H]1CCSc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820322754 599516967 /nfs/dbraw/zinc/51/69/67/599516967.db2.gz VGJNQJTZOGARIX-MLGOLLRUSA-N -1 3 365.462 3.324 20 0 FGADHM C[C@@H](NC(=O)[C@@H]1CCSc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820322754 599516969 /nfs/dbraw/zinc/51/69/69/599516969.db2.gz VGJNQJTZOGARIX-MLGOLLRUSA-N -1 3 365.462 3.324 20 0 FGADHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2N[C@H](C)c1cccc(O)c1 ZINC000822204507 599517209 /nfs/dbraw/zinc/51/72/09/599517209.db2.gz RGKRKJPIDSEXSO-LLVKDONJSA-N -1 3 364.384 3.163 20 0 FGADHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2N[C@H](C)c1cccc(O)c1 ZINC000822204507 599517210 /nfs/dbraw/zinc/51/72/10/599517210.db2.gz RGKRKJPIDSEXSO-LLVKDONJSA-N -1 3 364.384 3.163 20 0 FGADHM Fc1cccc([C@H]2CN(c3c(Cl)cccc3-c3nnn[n-]3)CCO2)c1 ZINC000822787296 599522403 /nfs/dbraw/zinc/52/24/03/599522403.db2.gz XKPSELKWQUEVFP-OAHLLOKOSA-N -1 3 359.792 3.237 20 0 FGADHM Fc1cccc([C@H]2CN(c3c(Cl)cccc3-c3nn[n-]n3)CCO2)c1 ZINC000822787296 599522405 /nfs/dbraw/zinc/52/24/05/599522405.db2.gz XKPSELKWQUEVFP-OAHLLOKOSA-N -1 3 359.792 3.237 20 0 FGADHM CSCc1ccc(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821970357 599524333 /nfs/dbraw/zinc/52/43/33/599524333.db2.gz MSPVKGBOKMPIHH-LBPRGKRZSA-N -1 3 353.451 3.221 20 0 FGADHM CSCc1ccc(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821970357 599524336 /nfs/dbraw/zinc/52/43/36/599524336.db2.gz MSPVKGBOKMPIHH-LBPRGKRZSA-N -1 3 353.451 3.221 20 0 FGADHM C[C@@](O)(CNc1ccc(-c2nn[n-]n2)cc1C(F)(F)F)c1ccccc1 ZINC000736142896 599526133 /nfs/dbraw/zinc/52/61/33/599526133.db2.gz PVLHKLFMZIALAB-MRXNPFEDSA-N -1 3 363.343 3.205 20 0 FGADHM C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820397587 599526494 /nfs/dbraw/zinc/52/64/94/599526494.db2.gz QTNUWHMHEYTLJP-JTQLQIEISA-N -1 3 361.327 3.377 20 0 FGADHM C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820397587 599526495 /nfs/dbraw/zinc/52/64/95/599526495.db2.gz QTNUWHMHEYTLJP-JTQLQIEISA-N -1 3 361.327 3.377 20 0 FGADHM COC(=O)Nc1ccc(CCNc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000736938343 599526941 /nfs/dbraw/zinc/52/69/41/599526941.db2.gz COMSDGXXQFNCBR-UHFFFAOYSA-N -1 3 372.816 3.353 20 0 FGADHM COC(=O)Nc1ccc(CCNc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000736938343 599526944 /nfs/dbraw/zinc/52/69/44/599526944.db2.gz COMSDGXXQFNCBR-UHFFFAOYSA-N -1 3 372.816 3.353 20 0 FGADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N[C@@H](C)C[C@@H](O)c1ccccc1 ZINC000822336932 607382332 /nfs/dbraw/zinc/38/23/32/607382332.db2.gz URZMJGFIVXPRGF-KBXCAEBGSA-N -1 3 374.448 3.069 20 0 FGADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N[C@@H](C)C[C@@H](O)c1ccccc1 ZINC000822336932 607382334 /nfs/dbraw/zinc/38/23/34/607382334.db2.gz URZMJGFIVXPRGF-KBXCAEBGSA-N -1 3 374.448 3.069 20 0 FGADHM C[C@H](NC(=O)C1(c2ccc(Cl)cc2)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820321405 599539095 /nfs/dbraw/zinc/53/90/95/599539095.db2.gz FJXHTXRPWOTBMO-LBPRGKRZSA-N -1 3 367.840 3.429 20 0 FGADHM C[C@H](NC(=O)C1(c2ccc(Cl)cc2)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820321405 599539098 /nfs/dbraw/zinc/53/90/98/599539098.db2.gz FJXHTXRPWOTBMO-LBPRGKRZSA-N -1 3 367.840 3.429 20 0 FGADHM Cc1nc(C(C)C)sc1C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822424221 599540608 /nfs/dbraw/zinc/54/06/08/599540608.db2.gz UOLTYPKZEHBMBL-SNVBAGLBSA-N -1 3 356.455 3.246 20 0 FGADHM Cc1nc(C(C)C)sc1C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822424221 599540609 /nfs/dbraw/zinc/54/06/09/599540609.db2.gz UOLTYPKZEHBMBL-SNVBAGLBSA-N -1 3 356.455 3.246 20 0 FGADHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(NCC3CCSCC3)c2c1 ZINC000822194913 599555675 /nfs/dbraw/zinc/55/56/75/599555675.db2.gz AJFOWAPARKTGRM-UHFFFAOYSA-N -1 3 354.483 3.009 20 0 FGADHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(NCC3CCSCC3)c2c1 ZINC000822194913 599555678 /nfs/dbraw/zinc/55/56/78/599555678.db2.gz AJFOWAPARKTGRM-UHFFFAOYSA-N -1 3 354.483 3.009 20 0 FGADHM C[C@@H]1CCN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)[C@H](c2ccco2)C1 ZINC000820715708 599557716 /nfs/dbraw/zinc/55/77/16/599557716.db2.gz DKKUBYDBURLDGO-DOMZBBRYSA-N -1 3 352.398 3.465 20 0 FGADHM C[C@@H]1CCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)[C@H](c2ccco2)C1 ZINC000820715708 599557719 /nfs/dbraw/zinc/55/77/19/599557719.db2.gz DKKUBYDBURLDGO-DOMZBBRYSA-N -1 3 352.398 3.465 20 0 FGADHM Fc1cccc(N2CCC[C@H](Nc3ccc(F)cc3-c3nnn[n-]3)C2)c1 ZINC000822791281 599563224 /nfs/dbraw/zinc/56/32/24/599563224.db2.gz GPDIKQGEDKCLIT-AWEZNQCLSA-N -1 3 356.380 3.226 20 0 FGADHM Fc1cccc(N2CCC[C@H](Nc3ccc(F)cc3-c3nn[n-]n3)C2)c1 ZINC000822791281 599563226 /nfs/dbraw/zinc/56/32/26/599563226.db2.gz GPDIKQGEDKCLIT-AWEZNQCLSA-N -1 3 356.380 3.226 20 0 FGADHM Cc1ccc(N(C)Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)c(C)c1 ZINC000822241513 599565109 /nfs/dbraw/zinc/56/51/09/599565109.db2.gz YFSXZWVPPKUCKH-UHFFFAOYSA-N -1 3 361.409 3.170 20 0 FGADHM Cc1ccc(N(C)Cc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)c(C)c1 ZINC000822241513 599565112 /nfs/dbraw/zinc/56/51/12/599565112.db2.gz YFSXZWVPPKUCKH-UHFFFAOYSA-N -1 3 361.409 3.170 20 0 FGADHM Cc1ccc(N(C)Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)c(C)c1 ZINC000822241016 599565135 /nfs/dbraw/zinc/56/51/35/599565135.db2.gz IWZAWBFWXBZMMC-UHFFFAOYSA-N -1 3 361.409 3.170 20 0 FGADHM Cc1ccc(N(C)Cc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)c(C)c1 ZINC000822241016 599565137 /nfs/dbraw/zinc/56/51/37/599565137.db2.gz IWZAWBFWXBZMMC-UHFFFAOYSA-N -1 3 361.409 3.170 20 0 FGADHM Cc1[nH]nc(NC(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)c1C ZINC000737452373 599568095 /nfs/dbraw/zinc/56/80/95/599568095.db2.gz HFNBHVGDRHDKQS-UHFFFAOYSA-N -1 3 374.408 3.203 20 0 FGADHM CC(C)CC[C@](C)(O)CNc1c(-c2nnn[n-]2)cnc2ccc(Cl)cc21 ZINC000820072326 599570058 /nfs/dbraw/zinc/57/00/58/599570058.db2.gz GEIFYVDMOVYSHD-SFHVURJKSA-N -1 3 374.876 3.089 20 0 FGADHM CC(C)CC[C@](C)(O)CNc1c(-c2nn[n-]n2)cnc2ccc(Cl)cc21 ZINC000820072326 599570060 /nfs/dbraw/zinc/57/00/60/599570060.db2.gz GEIFYVDMOVYSHD-SFHVURJKSA-N -1 3 374.876 3.089 20 0 FGADHM CC(C)(C)OC(=O)CCNc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000819927942 599573094 /nfs/dbraw/zinc/57/30/94/599573094.db2.gz CAEOTGMYFWTDEO-UHFFFAOYSA-N -1 3 357.336 3.029 20 0 FGADHM Fc1cccc(Nc2ccc(N3CCSCC3)cc2)c1-c1nnn[n-]1 ZINC000822792476 599573653 /nfs/dbraw/zinc/57/36/53/599573653.db2.gz YCJMPRVLRFWYRE-UHFFFAOYSA-N -1 3 356.430 3.303 20 0 FGADHM Fc1cccc(Nc2ccc(N3CCSCC3)cc2)c1-c1nn[n-]n1 ZINC000822792476 599573654 /nfs/dbraw/zinc/57/36/54/599573654.db2.gz YCJMPRVLRFWYRE-UHFFFAOYSA-N -1 3 356.430 3.303 20 0 FGADHM CCCOc1ccc2c(c1)CCN(c1ncc(-c3nnn[n-]3)cc1Cl)C2 ZINC000821133592 607385054 /nfs/dbraw/zinc/38/50/54/607385054.db2.gz BNAJEUIAKFBEJU-UHFFFAOYSA-N -1 3 370.844 3.267 20 0 FGADHM CCCOc1ccc2c(c1)CCN(c1ncc(-c3nn[n-]n3)cc1Cl)C2 ZINC000821133592 607385056 /nfs/dbraw/zinc/38/50/56/607385056.db2.gz BNAJEUIAKFBEJU-UHFFFAOYSA-N -1 3 370.844 3.267 20 0 FGADHM COc1ccc(Br)cc1Sc1ccc(-c2nnn[n-]2)cn1 ZINC000821768961 599583299 /nfs/dbraw/zinc/58/32/99/599583299.db2.gz BWQSGJVAOAEUHN-UHFFFAOYSA-N -1 3 364.228 3.184 20 0 FGADHM COc1ccc(Br)cc1Sc1ccc(-c2nn[n-]n2)cn1 ZINC000821768961 599583301 /nfs/dbraw/zinc/58/33/01/599583301.db2.gz BWQSGJVAOAEUHN-UHFFFAOYSA-N -1 3 364.228 3.184 20 0 FGADHM CC[C@@H](c1ccncc1)N(C)C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736396322 599601291 /nfs/dbraw/zinc/60/12/91/599601291.db2.gz LCJCBRWNMLADQZ-DYVFJYSZSA-N -1 3 365.441 3.115 20 0 FGADHM CC[C@@H](c1ccncc1)N(C)C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736396322 599601292 /nfs/dbraw/zinc/60/12/92/599601292.db2.gz LCJCBRWNMLADQZ-DYVFJYSZSA-N -1 3 365.441 3.115 20 0 FGADHM CC[C@H](OC(=O)CCc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccccc1 ZINC000736381544 599605313 /nfs/dbraw/zinc/60/53/13/599605313.db2.gz IUVISCOEXRFIFY-KRWDZBQOSA-N -1 3 364.405 3.004 20 0 FGADHM CC[C@H](OC(=O)CCc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccccc1 ZINC000736381544 599605315 /nfs/dbraw/zinc/60/53/15/599605315.db2.gz IUVISCOEXRFIFY-KRWDZBQOSA-N -1 3 364.405 3.004 20 0 FGADHM CC(=O)CCCOC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735457881 599606208 /nfs/dbraw/zinc/60/62/08/599606208.db2.gz GALWNVKNLZEXAW-UHFFFAOYSA-N -1 3 365.393 3.136 20 0 FGADHM O=C(CC/C=C\c1ccccc1)OCCOc1cccc(-c2nnn[n-]2)c1 ZINC000737824334 599606223 /nfs/dbraw/zinc/60/62/23/599606223.db2.gz GMWNENCBWMHKTC-WTKPLQERSA-N -1 3 364.405 3.282 20 0 FGADHM O=C(CC/C=C\c1ccccc1)OCCOc1cccc(-c2nn[n-]n2)c1 ZINC000737824334 599606225 /nfs/dbraw/zinc/60/62/25/599606225.db2.gz GMWNENCBWMHKTC-WTKPLQERSA-N -1 3 364.405 3.282 20 0 FGADHM C[C@H](Cc1ccccc1F)C(=O)OCc1ccc(-c2nnn[n-]2)cc1F ZINC000736066061 599607192 /nfs/dbraw/zinc/60/71/92/599607192.db2.gz JCSQWUIAYREXQX-LLVKDONJSA-N -1 3 358.348 3.067 20 0 FGADHM C[C@H](Cc1ccccc1F)C(=O)OCc1ccc(-c2nn[n-]n2)cc1F ZINC000736066061 599607193 /nfs/dbraw/zinc/60/71/93/599607193.db2.gz JCSQWUIAYREXQX-LLVKDONJSA-N -1 3 358.348 3.067 20 0 FGADHM CC[C@H](C)[C@H]1CCCCN1C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000736333781 599613302 /nfs/dbraw/zinc/61/33/02/599613302.db2.gz VCSJEZFISCCPBU-BLLLJJGKSA-N -1 3 360.437 3.116 20 0 FGADHM CC[C@H](C)[C@H]1CCCCN1C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000736333781 599613304 /nfs/dbraw/zinc/61/33/04/599613304.db2.gz VCSJEZFISCCPBU-BLLLJJGKSA-N -1 3 360.437 3.116 20 0 FGADHM Cc1cc(COC(=O)CCc2ccc(-c3nnn[n-]3)cc2)c2ccccc2n1 ZINC000822200891 599623989 /nfs/dbraw/zinc/62/39/89/599623989.db2.gz HIMBJXVHZNHDDH-UHFFFAOYSA-N -1 3 373.416 3.399 20 0 FGADHM Cc1cc(COC(=O)CCc2ccc(-c3nn[n-]n3)cc2)c2ccccc2n1 ZINC000822200891 599623990 /nfs/dbraw/zinc/62/39/90/599623990.db2.gz HIMBJXVHZNHDDH-UHFFFAOYSA-N -1 3 373.416 3.399 20 0 FGADHM CC[C@@H](Cc1ccccc1)OC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000820916148 599625701 /nfs/dbraw/zinc/62/57/01/599625701.db2.gz ZMKLPYNFFJZKPZ-YOEHRIQHSA-N -1 3 366.421 3.199 20 0 FGADHM Cc1ccc([C@H]2OCCC[C@@H]2C(=O)Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822233199 599628102 /nfs/dbraw/zinc/62/81/02/599628102.db2.gz JZUKLFLMSPCHIP-ZWKOTPCHSA-N -1 3 364.405 3.248 20 0 FGADHM Cc1ccc([C@H]2OCCC[C@@H]2C(=O)Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822233199 599628103 /nfs/dbraw/zinc/62/81/03/599628103.db2.gz JZUKLFLMSPCHIP-ZWKOTPCHSA-N -1 3 364.405 3.248 20 0 FGADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)c1cc(C)cc(F)c1 ZINC000821699483 599629548 /nfs/dbraw/zinc/62/95/48/599629548.db2.gz RKSQUPGREKACPI-UHFFFAOYSA-N -1 3 362.748 3.195 20 0 FGADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)c1cc(C)cc(F)c1 ZINC000821699483 599629549 /nfs/dbraw/zinc/62/95/49/599629549.db2.gz RKSQUPGREKACPI-UHFFFAOYSA-N -1 3 362.748 3.195 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)[C@H](C)C(F)(F)F ZINC000821388960 599629695 /nfs/dbraw/zinc/62/96/95/599629695.db2.gz CMJBIOZCOZVCKQ-LURJTMIESA-N -1 3 364.711 3.023 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)[C@H](C)C(F)(F)F ZINC000821388960 599629696 /nfs/dbraw/zinc/62/96/96/599629696.db2.gz CMJBIOZCOZVCKQ-LURJTMIESA-N -1 3 364.711 3.023 20 0 FGADHM CCCCO[C@@H](C)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000821071525 599632940 /nfs/dbraw/zinc/63/29/40/599632940.db2.gz HHOFDRLLTQEDNX-VIFPVBQESA-N -1 3 357.336 3.029 20 0 FGADHM CCCCO[C@@H](C)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821071525 599632941 /nfs/dbraw/zinc/63/29/41/599632941.db2.gz HHOFDRLLTQEDNX-VIFPVBQESA-N -1 3 357.336 3.029 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)Nc1cc(Cl)c(Cl)cn1 ZINC000822929739 599634790 /nfs/dbraw/zinc/63/47/90/599634790.db2.gz XMVHOCFWMNUTLB-WAYWQWQTSA-N -1 3 361.192 3.220 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)Nc1cc(Cl)c(Cl)cn1 ZINC000822929739 599634791 /nfs/dbraw/zinc/63/47/91/599634791.db2.gz XMVHOCFWMNUTLB-WAYWQWQTSA-N -1 3 361.192 3.220 20 0 FGADHM C[C@H]1CCN(Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)c2ccccc21 ZINC000820727365 599635828 /nfs/dbraw/zinc/63/58/28/599635828.db2.gz LJFZAIDDMXDHNR-ZDUSSCGKSA-N -1 3 373.420 3.431 20 0 FGADHM C[C@H]1CCN(Cc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)c2ccccc21 ZINC000820727365 599635829 /nfs/dbraw/zinc/63/58/29/599635829.db2.gz LJFZAIDDMXDHNR-ZDUSSCGKSA-N -1 3 373.420 3.431 20 0 FGADHM C[C@@H](OC(=O)C1CCCCCCC1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000820488343 599663153 /nfs/dbraw/zinc/66/31/53/599663153.db2.gz MWVLVIFBVBOVNQ-CYBMUJFWSA-N -1 3 371.441 3.097 20 0 FGADHM C[C@@H](OC(=O)C1CCCCCCC1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000820488343 599663154 /nfs/dbraw/zinc/66/31/54/599663154.db2.gz MWVLVIFBVBOVNQ-CYBMUJFWSA-N -1 3 371.441 3.097 20 0 FGADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1F)c1cc2cccc(F)c2o1 ZINC000823421741 599665725 /nfs/dbraw/zinc/66/57/25/599665725.db2.gz HLKPRTWXFIIFRW-UHFFFAOYSA-N -1 3 356.288 3.248 20 0 FGADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1F)c1cc2cccc(F)c2o1 ZINC000823421741 599665726 /nfs/dbraw/zinc/66/57/26/599665726.db2.gz HLKPRTWXFIIFRW-UHFFFAOYSA-N -1 3 356.288 3.248 20 0 FGADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1F)[C@H]1CCSc2ccccc21 ZINC000823418868 599667624 /nfs/dbraw/zinc/66/76/24/599667624.db2.gz YAVFJZGVQLJTIJ-AWEZNQCLSA-N -1 3 370.409 3.329 20 0 FGADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1F)[C@H]1CCSc2ccccc21 ZINC000823418868 599667625 /nfs/dbraw/zinc/66/76/25/599667625.db2.gz YAVFJZGVQLJTIJ-AWEZNQCLSA-N -1 3 370.409 3.329 20 0 FGADHM C[C@@H]1CCN(C(=O)NCc2cccc(-c3nnn[n-]3)c2)[C@H](c2ccco2)C1 ZINC000820717294 599667950 /nfs/dbraw/zinc/66/79/50/599667950.db2.gz PAXIRGPPQMDHSW-CJNGLKHVSA-N -1 3 366.425 3.143 20 0 FGADHM C[C@@H]1CCN(C(=O)NCc2cccc(-c3nn[n-]n3)c2)[C@H](c2ccco2)C1 ZINC000820717294 599667951 /nfs/dbraw/zinc/66/79/51/599667951.db2.gz PAXIRGPPQMDHSW-CJNGLKHVSA-N -1 3 366.425 3.143 20 0 FGADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCC2)c1cccc2cnccc21 ZINC000823387164 599690214 /nfs/dbraw/zinc/69/02/14/599690214.db2.gz FGEIOPNQYBJASQ-UHFFFAOYSA-N -1 3 362.418 3.217 20 0 FGADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCC2)c1cccc2cnccc21 ZINC000823387164 599690215 /nfs/dbraw/zinc/69/02/15/599690215.db2.gz FGEIOPNQYBJASQ-UHFFFAOYSA-N -1 3 362.418 3.217 20 0 FGADHM CC[C@@H]1C[C@H](C)CN1C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000820967197 599692511 /nfs/dbraw/zinc/69/25/11/599692511.db2.gz LMGHSEJSKOGQMP-GXSJLCMTSA-N -1 3 366.372 3.120 20 0 FGADHM CC[C@@H]1C[C@H](C)CN1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000820967197 599692512 /nfs/dbraw/zinc/69/25/12/599692512.db2.gz LMGHSEJSKOGQMP-GXSJLCMTSA-N -1 3 366.372 3.120 20 0 FGADHM CC[C@H](CNC(=O)c1ccccc1NC(=O)[O-])N1CCc2ccccc2C1 ZINC000736906003 599707934 /nfs/dbraw/zinc/70/79/34/599707934.db2.gz WMVMDIBFJGNZTL-QGZVFWFLSA-N -1 3 367.449 3.343 20 0 FGADHM COc1ccc(COC(=O)CCCc2sccc2C)cc1-c1nnn[n-]1 ZINC000826205350 607390880 /nfs/dbraw/zinc/39/08/80/607390880.db2.gz SNBYXFHWMXKUTH-UHFFFAOYSA-N -1 3 372.450 3.311 20 0 FGADHM COc1ccc(COC(=O)CCCc2sccc2C)cc1-c1nn[n-]n1 ZINC000826205350 607390881 /nfs/dbraw/zinc/39/08/81/607390881.db2.gz SNBYXFHWMXKUTH-UHFFFAOYSA-N -1 3 372.450 3.311 20 0 FGADHM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)OCc1ccc(-c2nnn[n-]2)cc1F ZINC000826316794 607392023 /nfs/dbraw/zinc/39/20/23/607392023.db2.gz YUMSRHHNCHCNIU-OLZOCXBDSA-N -1 3 358.398 3.223 20 0 FGADHM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)OCc1ccc(-c2nn[n-]n2)cc1F ZINC000826316794 607392025 /nfs/dbraw/zinc/39/20/25/607392025.db2.gz YUMSRHHNCHCNIU-OLZOCXBDSA-N -1 3 358.398 3.223 20 0 FGADHM O=C([O-])[C@H](NCc1cccc(C(=O)N2CCCCC2)c1)c1ccccc1 ZINC000738525445 599787545 /nfs/dbraw/zinc/78/75/45/599787545.db2.gz LYQSHXSEBMVBPK-LJQANCHMSA-N -1 3 352.434 3.228 20 0 FGADHM O=C(Nc1ccc2[nH]ccc2c1)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826455480 607393810 /nfs/dbraw/zinc/39/38/10/607393810.db2.gz PVNYKSBYRBCPIL-UHFFFAOYSA-N -1 3 359.393 3.159 20 0 FGADHM O=C(Nc1ccc2[nH]ccc2c1)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826455480 607393811 /nfs/dbraw/zinc/39/38/11/607393811.db2.gz PVNYKSBYRBCPIL-UHFFFAOYSA-N -1 3 359.393 3.159 20 0 FGADHM COc1cc(C(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)ccc1C ZINC000821703209 607400651 /nfs/dbraw/zinc/40/06/51/607400651.db2.gz UROABXBWCFGYGR-UHFFFAOYSA-N -1 3 367.409 3.223 20 0 FGADHM COc1cc(C(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)ccc1C ZINC000821703209 607400653 /nfs/dbraw/zinc/40/06/53/607400653.db2.gz UROABXBWCFGYGR-UHFFFAOYSA-N -1 3 367.409 3.223 20 0 FGADHM Cc1ccc(CC(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)cc1 ZINC000822235226 607404311 /nfs/dbraw/zinc/40/43/11/607404311.db2.gz XVLUTGKBEVTOPI-UHFFFAOYSA-N -1 3 351.410 3.144 20 0 FGADHM Cc1ccc(CC(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)cc1 ZINC000822235226 607404312 /nfs/dbraw/zinc/40/43/12/607404312.db2.gz XVLUTGKBEVTOPI-UHFFFAOYSA-N -1 3 351.410 3.144 20 0 FGADHM O=C(Oc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1)[C@@H]1CCCCO1 ZINC000823453851 607404608 /nfs/dbraw/zinc/40/46/08/607404608.db2.gz BUDBINVMECSNNY-KRWDZBQOSA-N -1 3 366.377 3.134 20 0 FGADHM O=C(Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)[C@@H]1CCCCO1 ZINC000823453851 607404609 /nfs/dbraw/zinc/40/46/09/607404609.db2.gz BUDBINVMECSNNY-KRWDZBQOSA-N -1 3 366.377 3.134 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)[C@H](C)Cc1ccccc1F ZINC000826252620 607407550 /nfs/dbraw/zinc/40/75/50/607407550.db2.gz KWBBTABOSNMHRI-CYBMUJFWSA-N -1 3 354.385 3.236 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)[C@H](C)Cc1ccccc1F ZINC000826252620 607407552 /nfs/dbraw/zinc/40/75/52/607407552.db2.gz KWBBTABOSNMHRI-CYBMUJFWSA-N -1 3 354.385 3.236 20 0 FGADHM CN(C)CCN(Cc1cccc(F)c1)C(=O)c1cccc(NC(=O)[O-])c1 ZINC000737369472 599934206 /nfs/dbraw/zinc/93/42/06/599934206.db2.gz JDUWUARZGNNPCX-UHFFFAOYSA-N -1 3 359.401 3.120 20 0 FGADHM CCOC(=O)N1CCCN(Cc2c3ccccc3sc2C(=O)[O-])CC1 ZINC000737146786 599937562 /nfs/dbraw/zinc/93/75/62/599937562.db2.gz SNRFTUXFQXEHGW-UHFFFAOYSA-N -1 3 362.451 3.264 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)Cc1csc(C(C)(C)C)n1 ZINC000826253736 607409790 /nfs/dbraw/zinc/40/97/90/607409790.db2.gz AZTCIMOBKXKFMH-UHFFFAOYSA-N -1 3 371.466 3.215 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)Cc1csc(C(C)(C)C)n1 ZINC000826253736 607409793 /nfs/dbraw/zinc/40/97/93/607409793.db2.gz AZTCIMOBKXKFMH-UHFFFAOYSA-N -1 3 371.466 3.215 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)C1(c2ccccc2)CCC1 ZINC000821736248 607409804 /nfs/dbraw/zinc/40/98/04/607409804.db2.gz IADYNRPKWWMRAD-UHFFFAOYSA-N -1 3 364.405 3.040 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)C1(c2ccccc2)CCC1 ZINC000821736248 607409806 /nfs/dbraw/zinc/40/98/06/607409806.db2.gz IADYNRPKWWMRAD-UHFFFAOYSA-N -1 3 364.405 3.040 20 0 FGADHM CC(C)c1nn(C)c(N(C)C)c1CN[C@H](CCC(=O)[O-])c1ccccc1 ZINC000736533536 599982060 /nfs/dbraw/zinc/98/20/60/599982060.db2.gz YADUTAIZTLYHLC-QGZVFWFLSA-N -1 3 358.486 3.305 20 0 FGADHM CC(=O)N1CCCCC[C@@H]1C1CCN(Cc2cc(C)c(C(=O)[O-])o2)CC1 ZINC000736135719 599994608 /nfs/dbraw/zinc/99/46/08/599994608.db2.gz SSTFPOZZJAYTFI-GOSISDBHSA-N -1 3 362.470 3.289 20 0 FGADHM O=C([O-])Cc1ccc(OC(=O)C2CCN(Cc3ccccc3)CC2)cc1 ZINC000739885460 600060109 /nfs/dbraw/zinc/06/01/09/600060109.db2.gz STOLBRJNCVQGJA-UHFFFAOYSA-N -1 3 353.418 3.131 20 0 FGADHM CC(C)CNC(=O)c1cccc(CN2Cc3ccccc3C[C@H]2C(=O)[O-])c1 ZINC000736440810 600128358 /nfs/dbraw/zinc/12/83/58/600128358.db2.gz WNKFXBVEDLRGOD-FQEVSTJZSA-N -1 3 366.461 3.084 20 0 FGADHM Cc1ccsc1[C@H]1C[C@@H]1C(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826316352 607424068 /nfs/dbraw/zinc/42/40/68/607424068.db2.gz KYEXGOORTQHDPL-GJZGRUSLSA-N -1 3 365.462 3.146 20 0 FGADHM Cc1ccsc1[C@H]1C[C@@H]1C(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826316352 607424070 /nfs/dbraw/zinc/42/40/70/607424070.db2.gz KYEXGOORTQHDPL-GJZGRUSLSA-N -1 3 365.462 3.146 20 0 FGADHM CC(C)N(CCC(=O)[O-])CC(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000736641908 600223863 /nfs/dbraw/zinc/22/38/63/600223863.db2.gz VCKSLQKVBVWPKK-LLVKDONJSA-N -1 3 361.269 3.356 20 0 FGADHM COc1ccc(CN(C)C)cc1NC(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000737994494 600226775 /nfs/dbraw/zinc/22/67/75/600226775.db2.gz HLXYYDHSDMHZBO-UHFFFAOYSA-N -1 3 358.398 3.491 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccnn1[C@@H](C)CC(C)C ZINC000826250787 607431194 /nfs/dbraw/zinc/43/11/94/607431194.db2.gz SGIKPMLOKOUZQV-ZDUSSCGKSA-N -1 3 353.430 3.231 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccnn1[C@@H](C)CC(C)C ZINC000826250787 607431195 /nfs/dbraw/zinc/43/11/95/607431195.db2.gz SGIKPMLOKOUZQV-ZDUSSCGKSA-N -1 3 353.430 3.231 20 0 FGADHM C[C@@H](CN(C(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1)C1CC1)C(=O)[O-] ZINC000736561749 600249806 /nfs/dbraw/zinc/24/98/06/600249806.db2.gz MCBAFXYLNPMPCJ-IRXDYDNUSA-N -1 3 372.509 3.041 20 0 FGADHM O=C([O-])c1ccc(CCC(=O)O[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000739260707 600273230 /nfs/dbraw/zinc/27/32/30/600273230.db2.gz VQMGWETUKPVCDI-LJQANCHMSA-N -1 3 353.418 3.135 20 0 FGADHM Cc1nc(C(C)(C)C)sc1C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826323959 607434644 /nfs/dbraw/zinc/43/46/44/607434644.db2.gz ZDPUNCVTQFKXIR-UHFFFAOYSA-N -1 3 356.455 3.206 20 0 FGADHM Cc1nc(C(C)(C)C)sc1C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826323959 607434646 /nfs/dbraw/zinc/43/46/46/607434646.db2.gz ZDPUNCVTQFKXIR-UHFFFAOYSA-N -1 3 356.455 3.206 20 0 FGADHM CCc1ccc([C@H](C)NC(=O)[C@@H](C)N2CCC3(C[C@H]3C(=O)[O-])CC2)cc1 ZINC000737257908 600293176 /nfs/dbraw/zinc/29/31/76/600293176.db2.gz SJXRTHGXOHNGFC-DAYGRLMNSA-N -1 3 358.482 3.001 20 0 FGADHM C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000736632175 600303229 /nfs/dbraw/zinc/30/32/29/600303229.db2.gz CRKACYWKDPDJSJ-WOSRLPQWSA-N -1 3 364.873 3.092 20 0 FGADHM CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000824910744 607436151 /nfs/dbraw/zinc/43/61/51/607436151.db2.gz YMBLSVIXROFEOL-ZTFGCOKTSA-N -1 3 371.485 3.307 20 0 FGADHM CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000824910744 607436153 /nfs/dbraw/zinc/43/61/53/607436153.db2.gz YMBLSVIXROFEOL-ZTFGCOKTSA-N -1 3 371.485 3.307 20 0 FGADHM O=C([O-])NCc1ccc(NC(=O)N2CCN(CC3CCCCC3)CC2)cc1 ZINC000739987863 600353997 /nfs/dbraw/zinc/35/39/97/600353997.db2.gz FKISLYQQFGZYMX-UHFFFAOYSA-N -1 3 374.485 3.184 20 0 FGADHM COc1ccc(S[C@@H](C)C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826211439 607439159 /nfs/dbraw/zinc/43/91/59/607439159.db2.gz CYORHYFSJYSQJT-LBPRGKRZSA-N -1 3 369.450 3.019 20 0 FGADHM COc1ccc(S[C@@H](C)C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826211439 607439160 /nfs/dbraw/zinc/43/91/60/607439160.db2.gz CYORHYFSJYSQJT-LBPRGKRZSA-N -1 3 369.450 3.019 20 0 FGADHM CN(C)CCN(CCc1ccccc1)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000737370819 600385668 /nfs/dbraw/zinc/38/56/68/600385668.db2.gz WBQCSQVCBLIYFY-UHFFFAOYSA-N -1 3 373.428 3.162 20 0 FGADHM C[C@@H](N[C@@H](C(=O)[O-])c1cccc(Cl)c1)c1ccc2c(c1)CC(=O)N2C ZINC000736663409 600434285 /nfs/dbraw/zinc/43/42/85/600434285.db2.gz YQJOISZJVSSVLN-ADLMAVQZSA-N -1 3 358.825 3.335 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)C/C=C\c1cccc(F)c1 ZINC000826252976 607444996 /nfs/dbraw/zinc/44/49/96/607444996.db2.gz AYUNISYCXFPOTK-HYXAFXHYSA-N -1 3 352.369 3.461 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)C/C=C\c1cccc(F)c1 ZINC000826252976 607444998 /nfs/dbraw/zinc/44/49/98/607444998.db2.gz AYUNISYCXFPOTK-HYXAFXHYSA-N -1 3 352.369 3.461 20 0 FGADHM C[C@H](CN(CC[S@](=O)c1cc(Cl)ccc1Cl)C1CC1)C(=O)[O-] ZINC000736579992 600459187 /nfs/dbraw/zinc/45/91/87/600459187.db2.gz WCCJWFXVXNJPLE-STFLBKPXSA-N -1 3 364.294 3.286 20 0 FGADHM C[C@H](CCC(C)(C)C)NC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000824402492 607456762 /nfs/dbraw/zinc/45/67/62/607456762.db2.gz WXOXPZAVZFVMBO-CYBMUJFWSA-N -1 3 356.474 3.370 20 0 FGADHM C[C@H](CCC(C)(C)C)NC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000824402492 607456763 /nfs/dbraw/zinc/45/67/63/607456763.db2.gz WXOXPZAVZFVMBO-CYBMUJFWSA-N -1 3 356.474 3.370 20 0 FGADHM CCCN(CC(=O)Nc1cc(C(=O)[O-])ccc1C)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000737007319 600716298 /nfs/dbraw/zinc/71/62/98/600716298.db2.gz FAJNNAHLHIBECL-ATZDWAIDSA-N -1 3 374.481 3.157 20 0 FGADHM Cc1cc(CNCc2ccc(C3OCCO3)cc2)cc(C)c1OCC(=O)[O-] ZINC000738391367 600728769 /nfs/dbraw/zinc/72/87/69/600728769.db2.gz ARRMQYXYKJTZND-UHFFFAOYSA-N -1 3 371.433 3.102 20 0 FGADHM CCN(CC1CCN(Cc2ccoc2C(=O)[O-])CC1)C(=O)OC(C)(C)C ZINC000829692727 600800883 /nfs/dbraw/zinc/80/08/83/600800883.db2.gz NVBVFUGNVSYOAB-UHFFFAOYSA-N -1 3 366.458 3.447 20 0 FGADHM Cc1cc(C[C@@H](C)Nc2ccc(-c3nn[n-]n3)cc2)n(-c2ccccc2)n1 ZINC000822199667 607470212 /nfs/dbraw/zinc/47/02/12/607470212.db2.gz COHGQEMSJYYJGY-CQSZACIVSA-N -1 3 359.437 3.404 20 0 FGADHM COC(=O)c1cc2cc(CN[C@@H](C(=O)[O-])c3ccc(OC)cc3)ccc2o1 ZINC000737679299 600953139 /nfs/dbraw/zinc/95/31/39/600953139.db2.gz WPFKQOGZMRJMSQ-GOSISDBHSA-N -1 3 369.373 3.144 20 0 FGADHM C[C@@H]1CCN(C(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)CCN1Cc1ccccc1 ZINC000382555037 600977532 /nfs/dbraw/zinc/97/75/32/600977532.db2.gz HXGVNIBYMQHTPU-NZSAHSFTSA-N -1 3 358.482 3.000 20 0 FGADHM CCN(C(=O)CN(CCC(=O)[O-])CC(C)C)c1nc2ccccc2s1 ZINC000829591080 600992115 /nfs/dbraw/zinc/99/21/15/600992115.db2.gz NEAXWABLEYGHIB-UHFFFAOYSA-N -1 3 363.483 3.082 20 0 FGADHM Cc1cc(NCc2ccc(-c3nnn[n-]3)cc2F)n(Cc2ccccc2)n1 ZINC000822209810 607479790 /nfs/dbraw/zinc/47/97/90/607479790.db2.gz YGAYKXKOTJYYSV-UHFFFAOYSA-N -1 3 363.400 3.171 20 0 FGADHM Cc1cc(NCc2ccc(-c3nn[n-]n3)cc2F)n(Cc2ccccc2)n1 ZINC000822209810 607479792 /nfs/dbraw/zinc/47/97/92/607479792.db2.gz YGAYKXKOTJYYSV-UHFFFAOYSA-N -1 3 363.400 3.171 20 0 FGADHM CCC[C@](C)(NCc1csc(CC(=O)Nc2ccccc2)n1)C(=O)[O-] ZINC000829202733 601007473 /nfs/dbraw/zinc/00/74/73/601007473.db2.gz RBJORFRXLPDWAR-SFHVURJKSA-N -1 3 361.467 3.057 20 0 FGADHM O=C([O-])C[C@H]1CSCCN1Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000833220810 601014961 /nfs/dbraw/zinc/01/49/61/601014961.db2.gz AEETULNQPWXJNT-SFHVURJKSA-N -1 3 370.474 3.331 20 0 FGADHM Fc1cc(-c2nnn[n-]2)ccc1CNc1ccc(OC[C@H]2CCCO2)cc1 ZINC000822744677 607483224 /nfs/dbraw/zinc/48/32/24/607483224.db2.gz ZNGJGMPVBDGEAM-QGZVFWFLSA-N -1 3 369.400 3.176 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1CNc1ccc(OC[C@H]2CCCO2)cc1 ZINC000822744677 607483226 /nfs/dbraw/zinc/48/32/26/607483226.db2.gz ZNGJGMPVBDGEAM-QGZVFWFLSA-N -1 3 369.400 3.176 20 0 FGADHM CC(C)(C(=O)[O-])c1ccc(NC(=O)N2CCN(C3CCCC3)CC2)cc1 ZINC000826118581 601092016 /nfs/dbraw/zinc/09/20/16/601092016.db2.gz OBXYJXDZLJDVQF-UHFFFAOYSA-N -1 3 359.470 3.141 20 0 FGADHM Cc1cc(CN2CCC[C@@H](c3cc(C(F)(F)F)n[nH]3)C2)oc1C(=O)[O-] ZINC000738383481 601119226 /nfs/dbraw/zinc/11/92/26/601119226.db2.gz ULMKSHCFKCNTPF-SNVBAGLBSA-N -1 3 357.332 3.408 20 0 FGADHM C/C=C/c1ccc(OCc2cc(-c3nnn[n-]3)ccc2OC)c(OC)c1 ZINC000820832219 607490535 /nfs/dbraw/zinc/49/05/35/607490535.db2.gz IFOJCVNRQQTMSC-SNAWJCMRSA-N -1 3 352.394 3.496 20 0 FGADHM C/C=C/c1ccc(OCc2cc(-c3nn[n-]n3)ccc2OC)c(OC)c1 ZINC000820832219 607490537 /nfs/dbraw/zinc/49/05/37/607490537.db2.gz IFOJCVNRQQTMSC-SNAWJCMRSA-N -1 3 352.394 3.496 20 0 FGADHM CCN(Cc1ccnc(-c2nnn[n-]2)c1)Cc1ccccc1Br ZINC000825440009 607490707 /nfs/dbraw/zinc/49/07/07/607490707.db2.gz YETNBFLUODKMCK-UHFFFAOYSA-N -1 3 373.258 3.046 20 0 FGADHM C[C@H](CSCc1ccccc1)C(=O)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000820294047 607494412 /nfs/dbraw/zinc/49/44/12/607494412.db2.gz QLLGBAGWEQBKRV-CYBMUJFWSA-N -1 3 354.435 3.342 20 0 FGADHM C[C@H](CSCc1ccccc1)C(=O)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000820294047 607494414 /nfs/dbraw/zinc/49/44/14/607494414.db2.gz QLLGBAGWEQBKRV-CYBMUJFWSA-N -1 3 354.435 3.342 20 0 FGADHM C[C@H](C(=O)[O-])[C@@H](NCC(=O)NC1(c2ccccc2)CCC1)c1ccccc1 ZINC000826044321 601201226 /nfs/dbraw/zinc/20/12/26/601201226.db2.gz FGLLNBUUPJJEKP-OXJNMPFZSA-N -1 3 366.461 3.234 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)c1cnc(C(C)C)s1 ZINC000821395483 607496240 /nfs/dbraw/zinc/49/62/40/607496240.db2.gz YGXLAXCODZUGHG-UHFFFAOYSA-N -1 3 359.411 3.065 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)c1cnc(C(C)C)s1 ZINC000821395483 607496241 /nfs/dbraw/zinc/49/62/41/607496241.db2.gz YGXLAXCODZUGHG-UHFFFAOYSA-N -1 3 359.411 3.065 20 0 FGADHM COc1ccc(NC(=O)[C@H](c2ccccc2)N2C[C@H](C)[C@@H](C(=O)[O-])C2)cc1 ZINC000832394541 601534620 /nfs/dbraw/zinc/53/46/20/601534620.db2.gz SILHXCKVPUBGBL-JVPBZIDWSA-N -1 3 368.433 3.028 20 0 FGADHM O=C([O-])[C@@]1(F)CCN(CCC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000833099479 601556274 /nfs/dbraw/zinc/55/62/74/601556274.db2.gz BJKQGPKMVUJZQX-HXUWFJFHSA-N -1 3 356.397 3.181 20 0 FGADHM O=C([O-])c1ccc(CN[C@H]2CCN(c3cccc(Br)c3)C2)o1 ZINC000833315154 601560667 /nfs/dbraw/zinc/56/06/67/601560667.db2.gz UUZAMAHADXWORD-LBPRGKRZSA-N -1 3 365.227 3.109 20 0 FGADHM O=C([O-])c1ccc(CN2CCCN(Cc3ccc(F)cc3)CC2)cc1F ZINC000833313464 601616655 /nfs/dbraw/zinc/61/66/55/601616655.db2.gz WDOCPNJFKSNRIS-UHFFFAOYSA-N -1 3 360.404 3.371 20 0 FGADHM COC(=O)[C@H](C)CN(Cc1ccccc1)Cc1ccc(C(=O)[O-])c(F)c1 ZINC000831059714 601625285 /nfs/dbraw/zinc/62/52/85/601625285.db2.gz KFXAYJFOOFPHOE-CQSZACIVSA-N -1 3 359.397 3.335 20 0 FGADHM Cc1ccccc1C[C@H](C)NC(=O)CN[C@@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000832980763 601652911 /nfs/dbraw/zinc/65/29/11/601652911.db2.gz KWBVAEMFRCSIFD-CSODHUTKSA-N -1 3 368.477 3.094 20 0 FGADHM C[C@H](C(=O)[O-])[C@@H](NCC(=O)NC12CC3CC(CC(C3)C1)C2)c1ccccc1 ZINC000826043965 601654185 /nfs/dbraw/zinc/65/41/85/601654185.db2.gz ADBWUJSNDUEUJE-WYXFVCGQSA-N -1 3 370.493 3.123 20 0 FGADHM O=C([O-])[C@]1(NC(=O)c2ccc(Cl)cc2)CCCN(Cc2ccccc2)C1 ZINC000833128369 601733643 /nfs/dbraw/zinc/73/36/43/601733643.db2.gz DLNJBZFLHMEULA-FQEVSTJZSA-N -1 3 372.852 3.189 20 0 FGADHM O=C([O-])c1sccc1CN1CCC(NC(=O)NC2CCCCC2)CC1 ZINC000833131916 601810194 /nfs/dbraw/zinc/81/01/94/601810194.db2.gz KQXCWZDLDBQKNH-UHFFFAOYSA-N -1 3 365.499 3.043 20 0 FGADHM C[C@@H](CN1CCOCC1)N(Cc1ccsc1C(=O)[O-])Cc1ccccc1 ZINC000827461085 601821272 /nfs/dbraw/zinc/82/12/72/601821272.db2.gz LZFFXSPCLWLFLG-INIZCTEOSA-N -1 3 374.506 3.169 20 0 FGADHM O=C([O-])c1sccc1CN1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000833347428 601822403 /nfs/dbraw/zinc/82/24/03/601822403.db2.gz DJWSTGNOCZNBCQ-UHFFFAOYSA-N -1 3 362.426 3.436 20 0 FGADHM C[C@@H](C(=O)Nc1ccccc1Cc1ccccc1)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000826021012 601929746 /nfs/dbraw/zinc/92/97/46/601929746.db2.gz KKZRNGDEMZCUBW-KSFYIVLOSA-N -1 3 366.461 3.401 20 0 FGADHM Cc1cc2oc(=O)cc(CN3CC[C@@H](CNC(=O)[O-])C3)c2cc1C(C)C ZINC000740097310 601960509 /nfs/dbraw/zinc/96/05/09/601960509.db2.gz RTBRPZPWOVDELJ-AWEZNQCLSA-N -1 3 358.438 3.314 20 0 FGADHM C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000828431327 602043882 /nfs/dbraw/zinc/04/38/82/602043882.db2.gz HRWBUGSSRYLJKZ-YMTOWFKASA-N -1 3 371.359 3.008 20 0 FGADHM CCC(C)(C)[C@H]1CCCN1C(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000825039890 607548083 /nfs/dbraw/zinc/54/80/83/607548083.db2.gz YEALWEJCADSKFG-CZUORRHYSA-N -1 3 357.458 3.061 20 0 FGADHM CN(C)CCN(C(=O)Nc1cc(C(=O)[O-])c(F)cc1F)C1CCCC1 ZINC000830604260 602199613 /nfs/dbraw/zinc/19/96/13/602199613.db2.gz KRXSCVRQLNPOLA-UHFFFAOYSA-N -1 3 355.385 3.001 20 0 FGADHM COC(=O)c1cccc(-c2nc(CN[C@H](C(=O)[O-])C(C)(C)C)cs2)c1 ZINC000831449558 602227170 /nfs/dbraw/zinc/22/71/70/602227170.db2.gz UWHJWOJCDDXJGQ-CQSZACIVSA-N -1 3 362.451 3.186 20 0 FGADHM Cc1c(C(=O)[O-])sc2[n-]c(C[N@@H+](CC(C)C)CC(C)(C)C)nc(=O)c12 ZINC000832852754 602342365 /nfs/dbraw/zinc/34/23/65/602342365.db2.gz JITYBIIYPUGGQT-UHFFFAOYSA-N -1 3 365.499 3.495 20 0 FGADHM Cc1c(C(=O)[O-])sc2[n-]c(C[N@H+](CC(C)C)CC(C)(C)C)nc(=O)c12 ZINC000832852754 602342367 /nfs/dbraw/zinc/34/23/67/602342367.db2.gz JITYBIIYPUGGQT-UHFFFAOYSA-N -1 3 365.499 3.495 20 0 FGADHM Cc1c(C(=O)[O-])sc2[nH]c(CN(CC(C)C)CC(C)(C)C)nc(=O)c12 ZINC000832852754 602342369 /nfs/dbraw/zinc/34/23/69/602342369.db2.gz JITYBIIYPUGGQT-UHFFFAOYSA-N -1 3 365.499 3.495 20 0 FGADHM O=C([O-])N[C@@H](C(=O)NC[C@H](c1cccs1)N1CCCC1)c1ccccc1 ZINC000740686770 602351801 /nfs/dbraw/zinc/35/18/01/602351801.db2.gz GKZPVETVBRQAJU-NVXWUHKLSA-N -1 3 373.478 3.010 20 0 FGADHM CN(CC1CCN(Cc2cc(=O)oc3cc4c(cc23)CCC4)CC1)C(=O)[O-] ZINC000739665912 602387022 /nfs/dbraw/zinc/38/70/22/602387022.db2.gz OGGDJBDOSMCWSB-UHFFFAOYSA-N -1 3 370.449 3.104 20 0 FGADHM CCN(CC)[C@H](CNC(=O)C1CCC(NC(=O)[O-])CC1)c1ccsc1 ZINC000739405779 602394609 /nfs/dbraw/zinc/39/46/09/602394609.db2.gz DADSBTBEPLCYGS-AVVWSFFYSA-N -1 3 367.515 3.074 20 0 FGADHM O=C([O-])NC1(c2noc([C@H]3CCCN(Cc4cccc(F)c4)C3)n2)CCC1 ZINC000740550062 602416262 /nfs/dbraw/zinc/41/62/62/602416262.db2.gz NRLPKYBYARSHIJ-AWEZNQCLSA-N -1 3 374.416 3.235 20 0 FGADHM CCCN(Cc1cccc(C(=O)N2CCCCC2)c1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739359669 602547840 /nfs/dbraw/zinc/54/78/40/602547840.db2.gz ONYHMGGKADWTCP-LJQANCHMSA-N -1 3 373.497 3.277 20 0 FGADHM O=C([O-])Nc1ccc(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000740710312 602603012 /nfs/dbraw/zinc/60/30/12/602603012.db2.gz NZZNQZFOKZUJPD-QGZVFWFLSA-N -1 3 354.410 3.173 20 0 FGADHM Cc1nn(-c2ccc(F)cc2F)c(C)c1CNC[C@H](NC(=O)[O-])C(C)C ZINC000740247517 602791936 /nfs/dbraw/zinc/79/19/36/602791936.db2.gz VLFZCAADGGAXTM-INIZCTEOSA-N -1 3 366.412 3.149 20 0 FGADHM CC(C)(CCC(=O)N[C@H](CN1CCCCC1)c1ccccc1)NC(=O)[O-] ZINC000738741154 602831889 /nfs/dbraw/zinc/83/18/89/602831889.db2.gz CUKUNFJSVXHJNV-QGZVFWFLSA-N -1 3 361.486 3.156 20 0 FGADHM O=C([O-])NC[C@H](NCc1ccc(Br)cn1)C1CCCCC1 ZINC000740615147 603037157 /nfs/dbraw/zinc/03/71/57/603037157.db2.gz VUBIBSHPDMRUIR-AWEZNQCLSA-N -1 3 356.264 3.150 20 0 FGADHM COc1cc2c(cc1CNC[C@H](NC(=O)[O-])c1ccccc1)O[C@H](C)C2 ZINC000829224146 603175294 /nfs/dbraw/zinc/17/52/94/603175294.db2.gz HGUATRLTMIXUNP-DYVFJYSZSA-N -1 3 356.422 3.117 20 0 FGADHM CCC(CC)[C@@H](CCNC(=O)Nc1cccc(-c2nnn[n-]2)c1C)OC ZINC000825097160 607620038 /nfs/dbraw/zinc/62/00/38/607620038.db2.gz UIRGCDIRPRDGKU-MRXNPFEDSA-N -1 3 360.462 3.138 20 0 FGADHM CCC(CC)[C@@H](CCNC(=O)Nc1cccc(-c2nn[n-]n2)c1C)OC ZINC000825097160 607620039 /nfs/dbraw/zinc/62/00/39/607620039.db2.gz UIRGCDIRPRDGKU-MRXNPFEDSA-N -1 3 360.462 3.138 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1scnc1CC ZINC000825317818 607621304 /nfs/dbraw/zinc/62/13/04/607621304.db2.gz CVUCJEMKDIREQC-UHFFFAOYSA-N -1 3 371.470 3.330 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1scnc1CC ZINC000825317818 607621306 /nfs/dbraw/zinc/62/13/06/607621306.db2.gz CVUCJEMKDIREQC-UHFFFAOYSA-N -1 3 371.470 3.330 20 0 FGADHM CC(C)[C@@H](NCc1ccc(NC(=O)[O-])nc1)c1ccc2c(c1)OCCO2 ZINC000824143745 603532192 /nfs/dbraw/zinc/53/21/92/603532192.db2.gz PJEHNGSXGWHHNZ-GOSISDBHSA-N -1 3 357.410 3.430 20 0 FGADHM CN(Cc1cccc(C(=O)N2CCCCC2)c1)CC(C)(C)CNC(=O)[O-] ZINC000828365790 603549474 /nfs/dbraw/zinc/54/94/74/603549474.db2.gz GUXUMVDVQCCLLO-UHFFFAOYSA-N -1 3 361.486 3.038 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NCCOc1ccc2ccccc2c1 ZINC000826248238 607653248 /nfs/dbraw/zinc/65/32/48/607653248.db2.gz AFZOBISRVVPHOB-UHFFFAOYSA-N -1 3 373.416 3.137 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NCCOc1ccc2ccccc2c1 ZINC000826248238 607653250 /nfs/dbraw/zinc/65/32/50/607653250.db2.gz AFZOBISRVVPHOB-UHFFFAOYSA-N -1 3 373.416 3.137 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NCCCSc1ccc(F)cc1 ZINC000826248420 607650305 /nfs/dbraw/zinc/65/03/05/607650305.db2.gz ITFROFXMKDNNHQ-UHFFFAOYSA-N -1 3 371.441 3.226 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NCCCSc1ccc(F)cc1 ZINC000826248420 607650307 /nfs/dbraw/zinc/65/03/07/607650307.db2.gz ITFROFXMKDNNHQ-UHFFFAOYSA-N -1 3 371.441 3.226 20 0 FGADHM C[C@H](NCc1cccc2c1N(C(=O)[O-])CC2)c1ccc(NC(N)=O)cc1 ZINC000825502679 603861557 /nfs/dbraw/zinc/86/15/57/603861557.db2.gz JXUWJJQOCSKKCV-LBPRGKRZSA-N -1 3 354.410 3.069 20 0 FGADHM CC(C)c1csc(NC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)n1 ZINC000824353041 607673079 /nfs/dbraw/zinc/67/30/79/607673079.db2.gz VTPSKUXZTQZARD-UHFFFAOYSA-N -1 3 369.454 3.257 20 0 FGADHM CC(C)c1csc(NC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)n1 ZINC000824353041 607673081 /nfs/dbraw/zinc/67/30/81/607673081.db2.gz VTPSKUXZTQZARD-UHFFFAOYSA-N -1 3 369.454 3.257 20 0 FGADHM Cc1cc2oc(=O)cc(CN3CCC[C@H]([C@@H](C)NC(=O)[O-])C3)c2cc1C ZINC000830143060 604259523 /nfs/dbraw/zinc/25/95/23/604259523.db2.gz DDOJBEVSZHDXKB-CABCVRRESA-N -1 3 358.438 3.278 20 0 FGADHM FC(F)(F)c1cc(N2CCC[C@@H]([C@@H]3CCOC3)C2)ccc1-c1nnn[n-]1 ZINC000826368344 607682014 /nfs/dbraw/zinc/68/20/14/607682014.db2.gz MBMLRGAZBIEYJN-VXGBXAGGSA-N -1 3 367.375 3.138 20 0 FGADHM FC(F)(F)c1cc(N2CCC[C@@H]([C@@H]3CCOC3)C2)ccc1-c1nn[n-]n1 ZINC000826368344 607682016 /nfs/dbraw/zinc/68/20/16/607682016.db2.gz MBMLRGAZBIEYJN-VXGBXAGGSA-N -1 3 367.375 3.138 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@@H](c1ccccc1)c1ccncc1 ZINC000826247008 607683797 /nfs/dbraw/zinc/68/37/97/607683797.db2.gz RHMUKCSMKSZNDQ-IBGZPJMESA-N -1 3 370.416 3.090 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@@H](c1ccccc1)c1ccncc1 ZINC000826247008 607683799 /nfs/dbraw/zinc/68/37/99/607683799.db2.gz RHMUKCSMKSZNDQ-IBGZPJMESA-N -1 3 370.416 3.090 20 0 FGADHM c1cc(-c2nc(-c3ccc(Oc4ccccc4)nc3)no2)[nH]c1-c1nnn[n-]1 ZINC000826522848 607685196 /nfs/dbraw/zinc/68/51/96/607685196.db2.gz RAVKLHRVRQDLFN-UHFFFAOYSA-N -1 3 372.348 3.099 20 0 FGADHM c1cc(-c2nc(-c3ccc(Oc4ccccc4)nc3)no2)[nH]c1-c1nn[n-]n1 ZINC000826522848 607685198 /nfs/dbraw/zinc/68/51/98/607685198.db2.gz RAVKLHRVRQDLFN-UHFFFAOYSA-N -1 3 372.348 3.099 20 0 FGADHM Cc1cc([C@@H](C)N(C)CCN2CCN(c3ccccc3)CC2)oc1C(=O)[O-] ZINC000832871203 604384519 /nfs/dbraw/zinc/38/45/19/604384519.db2.gz RBCUERDOOINWEA-QGZVFWFLSA-N -1 3 371.481 3.101 20 0 FGADHM O=C([O-])[C@H](NCc1ccc2c(c1)COC2)c1ccc(Br)cc1 ZINC000833170536 604401317 /nfs/dbraw/zinc/40/13/17/604401317.db2.gz XHEKBSMVKNTRLC-MRXNPFEDSA-N -1 3 362.223 3.395 20 0 FGADHM Cc1ccccc1C[C@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000826306762 607691403 /nfs/dbraw/zinc/69/14/03/607691403.db2.gz KTXBNVYSIXVIEH-GOSISDBHSA-N -1 3 361.449 3.331 20 0 FGADHM Cc1ccccc1C[C@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000826306762 607691405 /nfs/dbraw/zinc/69/14/05/607691405.db2.gz KTXBNVYSIXVIEH-GOSISDBHSA-N -1 3 361.449 3.331 20 0 FGADHM Cc1ccsc1CCCC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826316687 607699519 /nfs/dbraw/zinc/69/95/19/607699519.db2.gz VQPZXBLSZZJDNO-ZDUSSCGKSA-N -1 3 355.467 3.437 20 0 FGADHM Cc1ccsc1CCCC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826316687 607699521 /nfs/dbraw/zinc/69/95/21/607699521.db2.gz VQPZXBLSZZJDNO-ZDUSSCGKSA-N -1 3 355.467 3.437 20 0 FGADHM O=C([O-])[C@H]1CC12CCN(Cc1ccccc1OCc1ccccn1)CC2 ZINC000833771704 604651008 /nfs/dbraw/zinc/65/10/08/604651008.db2.gz NIRIWNZCKSPUCT-GOSISDBHSA-N -1 3 352.434 3.347 20 0 FGADHM CN(C)Cc1c2ccccc2oc1C(=O)Nc1nc(CCC(=O)[O-])cs1 ZINC000830620019 604730381 /nfs/dbraw/zinc/73/03/81/604730381.db2.gz NIHVOLLIGKRAFT-UHFFFAOYSA-N -1 3 373.434 3.220 20 0 FGADHM Fc1cccc(F)c1-n1ccc(CSc2ccc(-c3nnn[n-]3)cn2)n1 ZINC000826377207 607712376 /nfs/dbraw/zinc/71/23/76/607712376.db2.gz IUVNJCKOKHMNEG-UHFFFAOYSA-N -1 3 371.376 3.018 20 0 FGADHM Fc1cccc(F)c1-n1ccc(CSc2ccc(-c3nn[n-]n3)cn2)n1 ZINC000826377207 607712377 /nfs/dbraw/zinc/71/23/77/607712377.db2.gz IUVNJCKOKHMNEG-UHFFFAOYSA-N -1 3 371.376 3.018 20 0 FGADHM COc1ccccc1[C@H](CN[C@@H](C)c1cccc(NC(C)=O)c1)NC(=O)[O-] ZINC000829597102 604759964 /nfs/dbraw/zinc/75/99/64/604759964.db2.gz FIGFLKJMTVMSJI-UGSOOPFHSA-N -1 3 371.437 3.313 20 0 FGADHM O=C(NC1(c2ccc(Cl)cc2)CCCC1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826427123 607719418 /nfs/dbraw/zinc/71/94/18/607719418.db2.gz GTNOVDFMYFLQDU-UHFFFAOYSA-N -1 3 356.817 3.048 20 0 FGADHM O=C(NC1(c2ccc(Cl)cc2)CCCC1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826427123 607719420 /nfs/dbraw/zinc/71/94/20/607719420.db2.gz GTNOVDFMYFLQDU-UHFFFAOYSA-N -1 3 356.817 3.048 20 0 FGADHM CC(C)Cc1ccc([C@H](C)N[C@H](C)C(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC000833495185 604915539 /nfs/dbraw/zinc/91/55/39/604915539.db2.gz WJRGXGBTHGGVEO-JKSUJKDBSA-N -1 3 360.498 3.247 20 0 FGADHM C[C@H](CC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(F)cc1F ZINC000824384512 607722903 /nfs/dbraw/zinc/72/29/03/607722903.db2.gz CQWCJMCQOPQMJI-SECBINFHSA-N -1 3 361.327 3.416 20 0 FGADHM C[C@H](CC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(F)cc1F ZINC000824384512 607722905 /nfs/dbraw/zinc/72/29/05/607722905.db2.gz CQWCJMCQOPQMJI-SECBINFHSA-N -1 3 361.327 3.416 20 0 FGADHM CC(C)(C(=O)[O-])[C@H]1CCCN(CC(=O)N[C@@H]2CCCc3ccccc32)C1 ZINC000833421420 604935191 /nfs/dbraw/zinc/93/51/91/604935191.db2.gz NKMRVXYOIGHUBI-FUHWJXTLSA-N -1 3 358.482 3.003 20 0 FGADHM CC(C)(C(=O)[O-])[C@H]1CCCN([C@@H]2CCCN(c3ccccc3F)C2=O)C1 ZINC000833417292 604945868 /nfs/dbraw/zinc/94/58/68/604945868.db2.gz OMMDRAVFMSLZNW-WMLDXEAASA-N -1 3 362.445 3.144 20 0 FGADHM C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1Cc1ccc(C(=O)[O-])s1 ZINC000833599669 604970257 /nfs/dbraw/zinc/97/02/57/604970257.db2.gz GKSHDHXSMZXKSR-VXGBXAGGSA-N -1 3 354.472 3.324 20 0 FGADHM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCC2(C[C@@H]2C(=O)N2CCCCC2)CC1 ZINC000833546674 605058258 /nfs/dbraw/zinc/05/82/58/605058258.db2.gz KJJPURRSDRBUPT-LSDHHAIUSA-N -1 3 360.454 3.153 20 0 FGADHM CCC(CC)[C@@H](NCC(=O)N1CCC(C(=O)[O-])CC1)c1cccs1 ZINC000833642803 605098124 /nfs/dbraw/zinc/09/81/24/605098124.db2.gz TZZQJPYSTCXZKB-QGZVFWFLSA-N -1 3 352.500 3.138 20 0 FGADHM C[C@@H](C1CC1)N(C(=O)CN[C@H](c1ccccc1)C(C)(C)C(=O)[O-])C1CC1 ZINC000833513366 605175873 /nfs/dbraw/zinc/17/58/73/605175873.db2.gz DDFSZYYWPFJROX-IFXJQAMLSA-N -1 3 358.482 3.218 20 0 FGADHM CC(C)N(Cc1nc(C2CCCC2)no1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000824293817 607738644 /nfs/dbraw/zinc/73/86/44/607738644.db2.gz YKCGDSKIFFMZDH-UHFFFAOYSA-N -1 3 367.457 3.318 20 0 FGADHM CC(C)N(Cc1nc(C2CCCC2)no1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000824293817 607738645 /nfs/dbraw/zinc/73/86/45/607738645.db2.gz YKCGDSKIFFMZDH-UHFFFAOYSA-N -1 3 367.457 3.318 20 0 FGADHM C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000824763205 607746470 /nfs/dbraw/zinc/74/64/70/607746470.db2.gz LAYQURCSJSRLES-WDEREUQCSA-N -1 3 358.833 3.112 20 0 FGADHM C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000824763205 607746471 /nfs/dbraw/zinc/74/64/71/607746471.db2.gz LAYQURCSJSRLES-WDEREUQCSA-N -1 3 358.833 3.112 20 0 FGADHM CC(C)C[C@@H](C)NC(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000824229833 607762307 /nfs/dbraw/zinc/76/23/07/607762307.db2.gz VPKXDMCTRATYRN-CYBMUJFWSA-N -1 3 369.425 3.203 20 0 FGADHM CC(C)C[C@@H](C)NC(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000824229833 607762308 /nfs/dbraw/zinc/76/23/08/607762308.db2.gz VPKXDMCTRATYRN-CYBMUJFWSA-N -1 3 369.425 3.203 20 0 FGADHM Cc1cc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)ccc1NC(=O)[O-] ZINC000829939643 605577666 /nfs/dbraw/zinc/57/76/66/605577666.db2.gz FXIDOCZQUWPUGU-QGZVFWFLSA-N -1 3 353.422 3.089 20 0 FGADHM Cc1nn(Cc2ccccc2)c(C)c1CN1CC[C@@H](NC(=O)[O-])[C@@H](C)C1 ZINC000833922093 605593060 /nfs/dbraw/zinc/59/30/60/605593060.db2.gz YLHTVZQRFCLZLP-IFXJQAMLSA-N -1 3 356.470 3.026 20 0 FGADHM O=C(C=C1CCCC1)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000826400169 607771294 /nfs/dbraw/zinc/77/12/94/607771294.db2.gz QZYYMKVVUJGPHS-UHFFFAOYSA-N -1 3 352.423 3.429 20 0 FGADHM O=C(C=C1CCCC1)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826400169 607771295 /nfs/dbraw/zinc/77/12/95/607771295.db2.gz QZYYMKVVUJGPHS-UHFFFAOYSA-N -1 3 352.423 3.429 20 0 FGADHM C[C@@H]1CC[C@@H](NC(=O)COc2ccc(-c3nn[n-]n3)cc2)c2ccccc21 ZINC000824919540 607772088 /nfs/dbraw/zinc/77/20/88/607772088.db2.gz WGSPXCDFEGFLQV-FZKQIMNGSA-N -1 3 363.421 3.000 20 0 FGADHM O=C([O-])Nc1cccc(CC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000834264959 605759376 /nfs/dbraw/zinc/75/93/76/605759376.db2.gz IYHYCFDHWAGXFI-IBGZPJMESA-N -1 3 367.449 3.100 20 0 FGADHM C[C@@H]1CN(C[C@H]2CCCN2Cc2cc(C(=O)[O-])ccc2Cl)C[C@@H](C)O1 ZINC000833626662 605832059 /nfs/dbraw/zinc/83/20/59/605832059.db2.gz ORLWAGIYOPXKBJ-CKEIUWERSA-N -1 3 366.889 3.112 20 0 FGADHM CN(Cc1cc(C(=O)[O-])ccc1F)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000833694198 605838565 /nfs/dbraw/zinc/83/85/65/605838565.db2.gz DGZUTUCWSRCRAU-UHFFFAOYSA-N -1 3 366.433 3.355 20 0 FGADHM CC(C)c1nsc(NCCSCc2ccccc2-c2nnn[n-]2)n1 ZINC000820211051 606025976 /nfs/dbraw/zinc/02/59/76/606025976.db2.gz ATJKOXGVIVCYTM-UHFFFAOYSA-N -1 3 361.500 3.187 20 0 FGADHM CC(C)c1nsc(NCCSCc2ccccc2-c2nn[n-]n2)n1 ZINC000820211051 606025983 /nfs/dbraw/zinc/02/59/83/606025983.db2.gz ATJKOXGVIVCYTM-UHFFFAOYSA-N -1 3 361.500 3.187 20 0 FGADHM CCO[C@H]1C[C@@H](Nc2nc3ccccc3cc2-c2nnn[n-]2)C12CCC2 ZINC000821357840 606092969 /nfs/dbraw/zinc/09/29/69/606092969.db2.gz FZGLMNQCTUQBPH-CVEARBPZSA-N -1 3 350.426 3.175 20 0 FGADHM CCO[C@H]1C[C@@H](Nc2nc3ccccc3cc2-c2nn[n-]n2)C12CCC2 ZINC000821357840 606092974 /nfs/dbraw/zinc/09/29/74/606092974.db2.gz FZGLMNQCTUQBPH-CVEARBPZSA-N -1 3 350.426 3.175 20 0 FGADHM CC(C)CN(C(=O)c1cc(C(C)C)n(C)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820081636 606102573 /nfs/dbraw/zinc/10/25/73/606102573.db2.gz OULATRIKSIPGKS-UHFFFAOYSA-N -1 3 367.457 3.026 20 0 FGADHM CC(C)CN(C(=O)c1cc(C(C)C)n(C)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820081636 606102574 /nfs/dbraw/zinc/10/25/74/606102574.db2.gz OULATRIKSIPGKS-UHFFFAOYSA-N -1 3 367.457 3.026 20 0 FGADHM C[C@H]1CCN(C(=O)c2sccc2-c2nnn[n-]2)[C@H]1c1cccc(F)c1 ZINC000820717879 606109541 /nfs/dbraw/zinc/10/95/41/606109541.db2.gz YAIFYKRESMZCNQ-IINYFYTJSA-N -1 3 357.414 3.291 20 0 FGADHM C[C@H]1CCN(C(=O)c2sccc2-c2nn[n-]n2)[C@H]1c1cccc(F)c1 ZINC000820717879 606109543 /nfs/dbraw/zinc/10/95/43/606109543.db2.gz YAIFYKRESMZCNQ-IINYFYTJSA-N -1 3 357.414 3.291 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1scnc1C(C)(C)C ZINC000821412519 606147447 /nfs/dbraw/zinc/14/74/47/606147447.db2.gz NLYNZPZGKWHOFN-UHFFFAOYSA-N -1 3 372.454 3.272 20 0 FGADHM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(-c2cccnc2)cc1 ZINC000820392695 606149446 /nfs/dbraw/zinc/14/94/46/606149446.db2.gz YXOORMUIOURDFD-AWEZNQCLSA-N -1 3 370.416 3.420 20 0 FGADHM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(-c2cccnc2)cc1 ZINC000820392695 606149448 /nfs/dbraw/zinc/14/94/48/606149448.db2.gz YXOORMUIOURDFD-AWEZNQCLSA-N -1 3 370.416 3.420 20 0 FGADHM O=C(OC1CCC1)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000823393511 606170190 /nfs/dbraw/zinc/17/01/90/606170190.db2.gz YOUOJSSDIBAFIH-UHFFFAOYSA-N -1 3 350.378 3.155 20 0 FGADHM O=C(OC1CCC1)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000823393511 606170191 /nfs/dbraw/zinc/17/01/91/606170191.db2.gz YOUOJSSDIBAFIH-UHFFFAOYSA-N -1 3 350.378 3.155 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1nc(-c2cccnc2)nc2c1CCC2 ZINC000822146192 606175539 /nfs/dbraw/zinc/17/55/39/606175539.db2.gz VVMYHPXHHZKCTO-UHFFFAOYSA-N -1 3 371.404 3.308 20 0 FGADHM CO[C@H](C)c1nc(C)c(C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000821675241 606180418 /nfs/dbraw/zinc/18/04/18/606180418.db2.gz HBLVYJAQUKCEKB-GHMZBOCLSA-N -1 3 373.438 3.257 20 0 FGADHM CO[C@H](C)c1nc(C)c(C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000821675241 606180419 /nfs/dbraw/zinc/18/04/19/606180419.db2.gz HBLVYJAQUKCEKB-GHMZBOCLSA-N -1 3 373.438 3.257 20 0 FGADHM CO[C@H](C)c1nc(C)c(C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000821675244 606180476 /nfs/dbraw/zinc/18/04/76/606180476.db2.gz HBLVYJAQUKCEKB-WDEREUQCSA-N -1 3 373.438 3.257 20 0 FGADHM CO[C@H](C)c1nc(C)c(C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000821675244 606180477 /nfs/dbraw/zinc/18/04/77/606180477.db2.gz HBLVYJAQUKCEKB-WDEREUQCSA-N -1 3 373.438 3.257 20 0 FGADHM Cc1ccc(CCCC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)s1 ZINC000822236042 606185862 /nfs/dbraw/zinc/18/58/62/606185862.db2.gz HOXTUXYFIPSGFT-UHFFFAOYSA-N -1 3 359.430 3.015 20 0 FGADHM Cc1ccc(CCCC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)s1 ZINC000822236042 606185864 /nfs/dbraw/zinc/18/58/64/606185864.db2.gz HOXTUXYFIPSGFT-UHFFFAOYSA-N -1 3 359.430 3.015 20 0 FGADHM C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820727318 606188365 /nfs/dbraw/zinc/18/83/65/606188365.db2.gz KSXRQDHJGHUZDW-DIFFPNOSSA-N -1 3 351.385 3.059 20 0 FGADHM C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820727318 606188366 /nfs/dbraw/zinc/18/83/66/606188366.db2.gz KSXRQDHJGHUZDW-DIFFPNOSSA-N -1 3 351.385 3.059 20 0 FGADHM C[C@H]1Sc2ccccc2N(C(=O)c2ccc(-c3nnn[n-]3)cc2)[C@@H]1C ZINC000820821648 606189900 /nfs/dbraw/zinc/18/99/00/606189900.db2.gz UEEMDIVTHKGEPV-VXGBXAGGSA-N -1 3 351.435 3.396 20 0 FGADHM C[C@H]1Sc2ccccc2N(C(=O)c2ccc(-c3nn[n-]n3)cc2)[C@@H]1C ZINC000820821648 606189901 /nfs/dbraw/zinc/18/99/01/606189901.db2.gz UEEMDIVTHKGEPV-VXGBXAGGSA-N -1 3 351.435 3.396 20 0 FGADHM COCc1nc2cc(N[C@@H](C)c3ccc(-c4nnn[n-]4)cc3)ccc2o1 ZINC000821696404 606202060 /nfs/dbraw/zinc/20/20/60/606202060.db2.gz BZVQCUSYSIVRKF-NSHDSACASA-N -1 3 350.382 3.327 20 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COc1cccc(C(C)=CC(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000821859373 606242222 /nfs/dbraw/zinc/24/22/22/606242222.db2.gz NOPQYOSAWWVMMO-FMIVXFBMSA-N -1 3 367.384 3.081 20 0 FGADHM COc1cccc(C(C)=CC(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000821859373 606242223 /nfs/dbraw/zinc/24/22/23/606242223.db2.gz NOPQYOSAWWVMMO-FMIVXFBMSA-N -1 3 367.384 3.081 20 0 FGADHM CC(C)CN1C(=O)c2ccccc2N[C@@H]1c1cc(-c2nnn[n-]2)cs1 ZINC000820092847 606243903 /nfs/dbraw/zinc/24/39/03/606243903.db2.gz QIYNMWNKIAEZIT-INIZCTEOSA-N -1 3 354.439 3.151 20 0 FGADHM CC(C)CN1C(=O)c2ccccc2N[C@@H]1c1cc(-c2nn[n-]n2)cs1 ZINC000820092847 606243905 /nfs/dbraw/zinc/24/39/05/606243905.db2.gz QIYNMWNKIAEZIT-INIZCTEOSA-N -1 3 354.439 3.151 20 0 FGADHM C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1cc(F)c(Cl)cc1Cl ZINC000820384519 606246159 /nfs/dbraw/zinc/24/61/59/606246159.db2.gz HBWSSPURUBBJOT-ZCFIWIBFSA-N -1 3 369.187 3.132 20 0 FGADHM C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1cc(F)c(Cl)cc1Cl ZINC000820384519 606246161 /nfs/dbraw/zinc/24/61/61/606246161.db2.gz HBWSSPURUBBJOT-ZCFIWIBFSA-N -1 3 369.187 3.132 20 0 FGADHM CCCC1CCC(N(C(=O)c2cc(-c3nnn[n-]3)cn2C)C(C)C)CC1 ZINC000821039202 606246818 /nfs/dbraw/zinc/24/68/18/606246818.db2.gz BBCZCVVUQAMSNA-UHFFFAOYSA-N -1 3 358.490 3.415 20 0 FGADHM CCCC1CCC(N(C(=O)c2cc(-c3nn[n-]n3)cn2C)C(C)C)CC1 ZINC000821039202 606246819 /nfs/dbraw/zinc/24/68/19/606246819.db2.gz BBCZCVVUQAMSNA-UHFFFAOYSA-N -1 3 358.490 3.415 20 0 FGADHM CN(C(=O)c1cc(-c2nnn[n-]2)cn1C)C1c2ccccc2-c2ccccc21 ZINC000821573345 606260363 /nfs/dbraw/zinc/26/03/63/606260363.db2.gz LYSYKZAAZMYQRH-UHFFFAOYSA-N -1 3 370.416 3.047 20 0 FGADHM CN(C(=O)c1cc(-c2nn[n-]n2)cn1C)C1c2ccccc2-c2ccccc21 ZINC000821573345 606260365 /nfs/dbraw/zinc/26/03/65/606260365.db2.gz LYSYKZAAZMYQRH-UHFFFAOYSA-N -1 3 370.416 3.047 20 0 FGADHM O=C(Nc1cccc(COc2ccccc2)c1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823363889 606261695 /nfs/dbraw/zinc/26/16/95/606261695.db2.gz QJXNGPLJEJMGTL-UHFFFAOYSA-N -1 3 360.377 3.026 20 0 FGADHM O=C(Nc1cccc(COc2ccccc2)c1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823363889 606261698 /nfs/dbraw/zinc/26/16/98/606261698.db2.gz QJXNGPLJEJMGTL-UHFFFAOYSA-N -1 3 360.377 3.026 20 0 FGADHM O=C(CCc1c[nH]c2ccccc12)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000822974340 606263563 /nfs/dbraw/zinc/26/35/63/606263563.db2.gz HXZVNNUBXJKDJU-UHFFFAOYSA-N -1 3 350.357 3.058 20 0 FGADHM O=C(CCc1c[nH]c2ccccc12)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000822974340 606263564 /nfs/dbraw/zinc/26/35/64/606263564.db2.gz HXZVNNUBXJKDJU-UHFFFAOYSA-N -1 3 350.357 3.058 20 0 FGADHM CCCN(C)c1ccc(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000821087369 606266086 /nfs/dbraw/zinc/26/60/86/606266086.db2.gz ATIZQXROLUUUBU-UHFFFAOYSA-N -1 3 354.389 3.104 20 0 FGADHM CCCN(C)c1ccc(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000821087369 606266088 /nfs/dbraw/zinc/26/60/88/606266088.db2.gz ATIZQXROLUUUBU-UHFFFAOYSA-N -1 3 354.389 3.104 20 0 FGADHM C[C@@H](CCc1ccccc1F)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820254815 606267835 /nfs/dbraw/zinc/26/78/35/606267835.db2.gz XSPLGJKUYDESNB-NSHDSACASA-N -1 3 357.364 3.352 20 0 FGADHM C[C@@H](CCc1ccccc1F)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820254815 606267837 /nfs/dbraw/zinc/26/78/37/606267837.db2.gz XSPLGJKUYDESNB-NSHDSACASA-N -1 3 357.364 3.352 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)c1cccc(-c2cscn2)c1 ZINC000823346476 606269191 /nfs/dbraw/zinc/26/91/91/606269191.db2.gz NUDZVVPVKBUNLK-UHFFFAOYSA-N -1 3 366.381 3.382 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)c1cccc(-c2cscn2)c1 ZINC000823346476 606269192 /nfs/dbraw/zinc/26/91/92/606269192.db2.gz NUDZVVPVKBUNLK-UHFFFAOYSA-N -1 3 366.381 3.382 20 0 FGADHM CCCN(CC)c1ccc(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000821094781 606271565 /nfs/dbraw/zinc/27/15/65/606271565.db2.gz QLYSHZGQMNEFQD-UHFFFAOYSA-N -1 3 368.416 3.494 20 0 FGADHM CCCN(CC)c1ccc(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000821094781 606271567 /nfs/dbraw/zinc/27/15/67/606271567.db2.gz QLYSHZGQMNEFQD-UHFFFAOYSA-N -1 3 368.416 3.494 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)c1ccccc1Br ZINC000823347441 606273490 /nfs/dbraw/zinc/27/34/90/606273490.db2.gz YGCNPTIWKIMPQS-UHFFFAOYSA-N -1 3 362.162 3.021 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)c1ccccc1Br ZINC000823347441 606273492 /nfs/dbraw/zinc/27/34/92/606273492.db2.gz YGCNPTIWKIMPQS-UHFFFAOYSA-N -1 3 362.162 3.021 20 0 FGADHM CCOc1ccccc1[C@H](CC(C)C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000821431430 606290210 /nfs/dbraw/zinc/29/02/10/606290210.db2.gz UOTDOMNWIKJPQD-HNNXBMFYSA-N -1 3 368.441 3.111 20 0 FGADHM CCOc1ccccc1[C@H](CC(C)C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000821431430 606290212 /nfs/dbraw/zinc/29/02/12/606290212.db2.gz UOTDOMNWIKJPQD-HNNXBMFYSA-N -1 3 368.441 3.111 20 0 FGADHM COC(=O)[C@@H](N[C@H](C)c1cccc(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000821640791 606298305 /nfs/dbraw/zinc/29/83/05/606298305.db2.gz OUYHFCSYTYOFGI-BZNIZROVSA-N -1 3 371.828 3.085 20 0 FGADHM COC(=O)[C@@H](N[C@H](C)c1cccc(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000821640791 606298306 /nfs/dbraw/zinc/29/83/06/606298306.db2.gz OUYHFCSYTYOFGI-BZNIZROVSA-N -1 3 371.828 3.085 20 0 FGADHM CC(C)N(Cc1ccccc1)C(=O)CSc1cccc(-c2nnn[n-]2)c1 ZINC000820120320 606328478 /nfs/dbraw/zinc/32/84/78/606328478.db2.gz BVEUBHWCNAVPGR-UHFFFAOYSA-N -1 3 367.478 3.396 20 0 FGADHM CC(C)N(Cc1ccccc1)C(=O)CSc1cccc(-c2nn[n-]n2)c1 ZINC000820120320 606328480 /nfs/dbraw/zinc/32/84/80/606328480.db2.gz BVEUBHWCNAVPGR-UHFFFAOYSA-N -1 3 367.478 3.396 20 0 FGADHM COc1ccc(C(=O)[C@H](C)Sc2cccc(-c3nnn[n-]3)c2)cc1OC ZINC000821770126 606329274 /nfs/dbraw/zinc/32/92/74/606329274.db2.gz PQQYDHRMGKTDDX-NSHDSACASA-N -1 3 370.434 3.247 20 0 FGADHM COc1ccc(C(=O)[C@H](C)Sc2cccc(-c3nn[n-]n3)c2)cc1OC ZINC000821770126 606329275 /nfs/dbraw/zinc/32/92/75/606329275.db2.gz PQQYDHRMGKTDDX-NSHDSACASA-N -1 3 370.434 3.247 20 0 FGADHM CC[C@H](Oc1ccccc1F)C(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820937858 606346398 /nfs/dbraw/zinc/34/63/98/606346398.db2.gz FAJBTTHPNSGKSX-WBMJQRKESA-N -1 3 370.384 3.468 20 0 FGADHM CC[C@H](Oc1ccccc1F)C(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820937858 606346400 /nfs/dbraw/zinc/34/64/00/606346400.db2.gz FAJBTTHPNSGKSX-WBMJQRKESA-N -1 3 370.384 3.468 20 0 FGADHM CC[C@H](Oc1ccccc1F)C(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820937854 606346584 /nfs/dbraw/zinc/34/65/84/606346584.db2.gz FAJBTTHPNSGKSX-LRDDRELGSA-N -1 3 370.384 3.468 20 0 FGADHM CC[C@H](Oc1ccccc1F)C(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820937854 606346586 /nfs/dbraw/zinc/34/65/86/606346586.db2.gz FAJBTTHPNSGKSX-LRDDRELGSA-N -1 3 370.384 3.468 20 0 FGADHM C[C@H](OC(=O)CCc1cc(F)ccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000820494605 606347771 /nfs/dbraw/zinc/34/77/71/606347771.db2.gz BMRAKHWDEDIVOV-NSHDSACASA-N -1 3 358.348 3.382 20 0 FGADHM C[C@H](OC(=O)CCc1cc(F)ccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000820494605 606347773 /nfs/dbraw/zinc/34/77/73/606347773.db2.gz BMRAKHWDEDIVOV-NSHDSACASA-N -1 3 358.348 3.382 20 0 FGADHM CCO[C@@H](C)c1ncc(C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000821346608 606348057 /nfs/dbraw/zinc/34/80/57/606348057.db2.gz MVPCVGPORQBPNW-MNOVXSKESA-N -1 3 373.438 3.339 20 0 FGADHM CCO[C@@H](C)c1ncc(C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000821346608 606348058 /nfs/dbraw/zinc/34/80/58/606348058.db2.gz MVPCVGPORQBPNW-MNOVXSKESA-N -1 3 373.438 3.339 20 0 FGADHM C[C@@H](OC(=O)[C@H]1Cc2cc(Cl)ccc2O1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820488093 606348536 /nfs/dbraw/zinc/34/85/36/606348536.db2.gz KXDXZNHKXPHHAM-QLJPJBMISA-N -1 3 370.796 3.128 20 0 FGADHM C[C@@H](OC(=O)[C@H]1Cc2cc(Cl)ccc2O1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820488093 606348538 /nfs/dbraw/zinc/34/85/38/606348538.db2.gz KXDXZNHKXPHHAM-QLJPJBMISA-N -1 3 370.796 3.128 20 0 FGADHM C[C@H](OC(=O)C(C)(C)Oc1ccc(F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820479676 606348698 /nfs/dbraw/zinc/34/86/98/606348698.db2.gz ATDOKEJQXGESAA-LBPRGKRZSA-N -1 3 370.384 3.468 20 0 FGADHM C[C@H](OC(=O)C(C)(C)Oc1ccc(F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820479676 606348699 /nfs/dbraw/zinc/34/86/99/606348699.db2.gz ATDOKEJQXGESAA-LBPRGKRZSA-N -1 3 370.384 3.468 20 0 FGADHM CC[C@@H](c1ccncc1)N(C)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820945360 606349237 /nfs/dbraw/zinc/34/92/37/606349237.db2.gz RQDCGFLLXOQPMG-HNNXBMFYSA-N -1 3 355.377 3.016 20 0 FGADHM CC[C@@H](c1ccncc1)N(C)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820945360 606349239 /nfs/dbraw/zinc/34/92/39/606349239.db2.gz RQDCGFLLXOQPMG-HNNXBMFYSA-N -1 3 355.377 3.016 20 0 FGADHM Cc1nn(C)c2sc(C(=O)O[C@H](C)c3ccc(-c4nnn[n-]4)cc3)cc12 ZINC000822496799 606353564 /nfs/dbraw/zinc/35/35/64/606353564.db2.gz UUSSGPSBICHGNR-SNVBAGLBSA-N -1 3 368.422 3.041 20 0 FGADHM Cc1nn(C)c2sc(C(=O)O[C@H](C)c3ccc(-c4nn[n-]n4)cc3)cc12 ZINC000822496799 606353565 /nfs/dbraw/zinc/35/35/65/606353565.db2.gz UUSSGPSBICHGNR-SNVBAGLBSA-N -1 3 368.422 3.041 20 0 FGADHM C[C@H](CNC(=O)Nc1ccc(F)cc1-c1nnn[n-]1)Cc1cccs1 ZINC000820270280 606359022 /nfs/dbraw/zinc/35/90/22/606359022.db2.gz ZDIDKVXNQGFRFI-JTQLQIEISA-N -1 3 360.418 3.068 20 0 FGADHM C[C@H](CNC(=O)Nc1ccc(F)cc1-c1nn[n-]n1)Cc1cccs1 ZINC000820270280 606359024 /nfs/dbraw/zinc/35/90/24/606359024.db2.gz ZDIDKVXNQGFRFI-JTQLQIEISA-N -1 3 360.418 3.068 20 0 FGADHM CCO[C@H](CC)C(=O)Oc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821350951 606361144 /nfs/dbraw/zinc/36/11/44/606361144.db2.gz HFQFWGRMCSMAPL-QGZVFWFLSA-N -1 3 368.393 3.380 20 0 FGADHM CCO[C@H](CC)C(=O)Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821350951 606361145 /nfs/dbraw/zinc/36/11/45/606361145.db2.gz HFQFWGRMCSMAPL-QGZVFWFLSA-N -1 3 368.393 3.380 20 0 FGADHM Cc1cc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(C)C)c(F)cc1F ZINC000822176227 606363456 /nfs/dbraw/zinc/36/34/56/606363456.db2.gz HNOFAZCGIOXDGM-UHFFFAOYSA-N -1 3 373.363 3.493 20 0 FGADHM Cc1cc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(C)C)c(F)cc1F ZINC000822176227 606363459 /nfs/dbraw/zinc/36/34/59/606363459.db2.gz HNOFAZCGIOXDGM-UHFFFAOYSA-N -1 3 373.363 3.493 20 0 FGADHM C[C@@H]1CN(Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)[C@H]1c1ccccc1 ZINC000820761275 606375161 /nfs/dbraw/zinc/37/51/61/606375161.db2.gz WQHNYZHRVQMCRR-FZKQIMNGSA-N -1 3 373.420 3.110 20 0 FGADHM C[C@@H]1CN(Cc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)[C@H]1c1ccccc1 ZINC000820761275 606375163 /nfs/dbraw/zinc/37/51/63/606375163.db2.gz WQHNYZHRVQMCRR-FZKQIMNGSA-N -1 3 373.420 3.110 20 0 FGADHM CCS[C@H]1CCC[C@H](NC(=S)Nc2ccccc2-c2nnn[n-]2)C1 ZINC000821456392 606392076 /nfs/dbraw/zinc/39/20/76/606392076.db2.gz PJJIOXHSIJVSOW-RYUDHWBXSA-N -1 3 362.528 3.217 20 0 FGADHM CCS[C@H]1CCC[C@H](NC(=S)Nc2ccccc2-c2nn[n-]n2)C1 ZINC000821456392 606392078 /nfs/dbraw/zinc/39/20/78/606392078.db2.gz PJJIOXHSIJVSOW-RYUDHWBXSA-N -1 3 362.528 3.217 20 0 FGADHM Cc1cc(C(=O)COc2ccc(-c3nnn[n-]3)cc2Cl)c(F)cc1F ZINC000822168859 606399918 /nfs/dbraw/zinc/39/99/18/606399918.db2.gz TZTMEQLCLSMGFY-UHFFFAOYSA-N -1 3 364.739 3.368 20 0 FGADHM Cc1cc(C(=O)COc2ccc(-c3nn[n-]n3)cc2Cl)c(F)cc1F ZINC000822168859 606399920 /nfs/dbraw/zinc/39/99/20/606399920.db2.gz TZTMEQLCLSMGFY-UHFFFAOYSA-N -1 3 364.739 3.368 20 0 FGADHM COc1ccccc1C[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1F ZINC000821889962 606400936 /nfs/dbraw/zinc/40/09/36/606400936.db2.gz ICQLQSYTADVRGJ-HNNXBMFYSA-N -1 3 353.401 3.226 20 0 FGADHM CC[C@H](CNc1nnc(C)c(C)c1-c1nnn[n-]1)Oc1ccccc1Cl ZINC000820907816 606402117 /nfs/dbraw/zinc/40/21/17/606402117.db2.gz HLTUCHNUUUMKPB-GFCCVEGCSA-N -1 3 373.848 3.196 20 0 FGADHM CC[C@H](CNc1nnc(C)c(C)c1-c1nn[n-]n1)Oc1ccccc1Cl ZINC000820907816 606402119 /nfs/dbraw/zinc/40/21/19/606402119.db2.gz HLTUCHNUUUMKPB-GFCCVEGCSA-N -1 3 373.848 3.196 20 0 FGADHM CC(C)[C@H](CCc1ccccc1)OC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000820021230 606407161 /nfs/dbraw/zinc/40/71/61/606407161.db2.gz RANIXOVBECFESK-KRWDZBQOSA-N -1 3 353.426 3.019 20 0 FGADHM CC(C)[C@H](CCc1ccccc1)OC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000820021230 606407162 /nfs/dbraw/zinc/40/71/62/606407162.db2.gz RANIXOVBECFESK-KRWDZBQOSA-N -1 3 353.426 3.019 20 0 FGADHM C[C@H](OC(=O)c1occc1Br)c1cccc(-c2nnn[n-]2)c1 ZINC000820518783 606408471 /nfs/dbraw/zinc/40/84/71/606408471.db2.gz KTKVQWDBJKUOBP-QMMMGPOBSA-N -1 3 363.171 3.140 20 0 FGADHM C[C@H](OC(=O)c1occc1Br)c1cccc(-c2nn[n-]n2)c1 ZINC000820518783 606408473 /nfs/dbraw/zinc/40/84/73/606408473.db2.gz KTKVQWDBJKUOBP-QMMMGPOBSA-N -1 3 363.171 3.140 20 0 FGADHM CN(C(=O)CCc1ccc(F)cc1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821569718 606412149 /nfs/dbraw/zinc/41/21/49/606412149.db2.gz SUOKFPWHIFWZDV-UHFFFAOYSA-N -1 3 359.792 3.255 20 0 FGADHM CN(C(=O)CCc1ccc(F)cc1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821569718 606412150 /nfs/dbraw/zinc/41/21/50/606412150.db2.gz SUOKFPWHIFWZDV-UHFFFAOYSA-N -1 3 359.792 3.255 20 0 FGADHM Cc1ccc(OCC(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)cc1C ZINC000822262994 606415426 /nfs/dbraw/zinc/41/54/26/606415426.db2.gz HHYJYNVRMYQPQG-UHFFFAOYSA-N -1 3 371.828 3.179 20 0 FGADHM Cc1ccc(OCC(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)cc1C ZINC000822262994 606415428 /nfs/dbraw/zinc/41/54/28/606415428.db2.gz HHYJYNVRMYQPQG-UHFFFAOYSA-N -1 3 371.828 3.179 20 0 FGADHM C[C@@H]1[C@@H](C)CCN1c1c(-c2nnn[n-]2)cnc2ccc(OC(F)F)cc21 ZINC000820728257 606424476 /nfs/dbraw/zinc/42/44/76/606424476.db2.gz UKAPNPTUTQIENT-VHSXEESVSA-N -1 3 360.368 3.251 20 0 FGADHM C[C@@H]1[C@@H](C)CCN1c1c(-c2nn[n-]n2)cnc2ccc(OC(F)F)cc21 ZINC000820728257 606424478 /nfs/dbraw/zinc/42/44/78/606424478.db2.gz UKAPNPTUTQIENT-VHSXEESVSA-N -1 3 360.368 3.251 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N(CC(F)(F)F)C1CCCC1 ZINC000822927975 606430748 /nfs/dbraw/zinc/43/07/48/606430748.db2.gz BYQFLEWCPIZOPC-KTKRTIGZSA-N -1 3 365.359 3.213 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N(CC(F)(F)F)C1CCCC1 ZINC000822927975 606430749 /nfs/dbraw/zinc/43/07/49/606430749.db2.gz BYQFLEWCPIZOPC-KTKRTIGZSA-N -1 3 365.359 3.213 20 0 FGADHM NC(=O)c1ccc(NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)cc1 ZINC000822885951 606442224 /nfs/dbraw/zinc/44/22/24/606442224.db2.gz VZKKXRGPFHUMAL-UHFFFAOYSA-N -1 3 370.416 3.245 20 0 FGADHM NC(=O)c1ccc(NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)cc1 ZINC000822885951 606442225 /nfs/dbraw/zinc/44/22/25/606442225.db2.gz VZKKXRGPFHUMAL-UHFFFAOYSA-N -1 3 370.416 3.245 20 0 FGADHM COc1ccc(OC)c([C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000821841330 606443387 /nfs/dbraw/zinc/44/33/87/606443387.db2.gz HIMGHPOKYHUEQI-INIZCTEOSA-N -1 3 369.400 3.365 20 0 FGADHM Cc1cccc(C)c1NC(=O)CN(C)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000822294406 606448731 /nfs/dbraw/zinc/44/87/31/606448731.db2.gz ZQKPXMHHZDASAP-UHFFFAOYSA-N -1 3 370.844 3.212 20 0 FGADHM Cc1cccc(C)c1NC(=O)CN(C)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000822294406 606448733 /nfs/dbraw/zinc/44/87/33/606448733.db2.gz ZQKPXMHHZDASAP-UHFFFAOYSA-N -1 3 370.844 3.212 20 0 FGADHM CCCNC(=O)c1ccc(NCc2cccc(-c3nnn[n-]3)c2)cc1Cl ZINC000821118102 606450350 /nfs/dbraw/zinc/45/03/50/606450350.db2.gz HAZVDJGQJJCFOY-UHFFFAOYSA-N -1 3 370.844 3.272 20 0 FGADHM CCCNC(=O)c1ccc(NCc2cccc(-c3nn[n-]n3)c2)cc1Cl ZINC000821118102 606450352 /nfs/dbraw/zinc/45/03/52/606450352.db2.gz HAZVDJGQJJCFOY-UHFFFAOYSA-N -1 3 370.844 3.272 20 0 FGADHM C[C@@H](Nc1ccc(Cl)cc1-c1nnn[n-]1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000820456512 606455045 /nfs/dbraw/zinc/45/50/45/606455045.db2.gz UUSRRZVKNATSMI-MRVPVSSYSA-N -1 3 355.789 3.275 20 0 FGADHM C[C@@H](Nc1ccc(Cl)cc1-c1nn[n-]n1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000820456512 606455046 /nfs/dbraw/zinc/45/50/46/606455046.db2.gz UUSRRZVKNATSMI-MRVPVSSYSA-N -1 3 355.789 3.275 20 0 FGADHM CCC(=O)Nc1ccc(Cl)c(NCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000820838231 606458132 /nfs/dbraw/zinc/45/81/32/606458132.db2.gz QRKUUOPFBZUWFN-UHFFFAOYSA-N -1 3 356.817 3.481 20 0 FGADHM CCC(=O)Nc1ccc(Cl)c(NCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000820838231 606458133 /nfs/dbraw/zinc/45/81/33/606458133.db2.gz QRKUUOPFBZUWFN-UHFFFAOYSA-N -1 3 356.817 3.481 20 0 FGADHM O=C(OCc1csc(Br)c1)c1cc(-c2nnn[n-]2)cs1 ZINC000823440426 606464020 /nfs/dbraw/zinc/46/40/20/606464020.db2.gz SWQSRWATRLJBFN-UHFFFAOYSA-N -1 3 371.241 3.109 20 0 FGADHM O=C(OCc1csc(Br)c1)c1cc(-c2nn[n-]n2)cs1 ZINC000823440426 606464021 /nfs/dbraw/zinc/46/40/21/606464021.db2.gz SWQSRWATRLJBFN-UHFFFAOYSA-N -1 3 371.241 3.109 20 0 FGADHM C[C@@H](CNc1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21)c1ccncc1 ZINC000820274913 606476710 /nfs/dbraw/zinc/47/67/10/606476710.db2.gz MADZQBMQTNLUJS-JTQLQIEISA-N -1 3 367.363 3.304 20 0 FGADHM C[C@@H](CNc1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21)c1ccncc1 ZINC000820274913 606476712 /nfs/dbraw/zinc/47/67/12/606476712.db2.gz MADZQBMQTNLUJS-JTQLQIEISA-N -1 3 367.363 3.304 20 0 FGADHM O=C(N[C@H](c1ccco1)c1ccccc1)c1cc(-c2nnn[n-]2)cs1 ZINC000823140740 606486034 /nfs/dbraw/zinc/48/60/34/606486034.db2.gz ZAIFDMUUSZBYLY-HNNXBMFYSA-N -1 3 351.391 3.041 20 0 FGADHM O=C(N[C@H](c1ccco1)c1ccccc1)c1cc(-c2nn[n-]n2)cs1 ZINC000823140740 606486035 /nfs/dbraw/zinc/48/60/35/606486035.db2.gz ZAIFDMUUSZBYLY-HNNXBMFYSA-N -1 3 351.391 3.041 20 0 FGADHM O=C(c1cc(-c2nnn[n-]2)cs1)N(Cc1ccccc1)c1ccccn1 ZINC000823465936 606488362 /nfs/dbraw/zinc/48/83/62/606488362.db2.gz CMMKKXWCNYMPBX-UHFFFAOYSA-N -1 3 362.418 3.170 20 0 FGADHM O=C(c1cc(-c2nn[n-]n2)cs1)N(Cc1ccccc1)c1ccccn1 ZINC000823465936 606488363 /nfs/dbraw/zinc/48/83/63/606488363.db2.gz CMMKKXWCNYMPBX-UHFFFAOYSA-N -1 3 362.418 3.170 20 0 FGADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)C2(Cc3ccccc3)CC2)s1 ZINC000821466320 606497165 /nfs/dbraw/zinc/49/71/65/606497165.db2.gz VTERYPSXZJWQMZ-UHFFFAOYSA-N -1 3 353.451 3.452 20 0 FGADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)C2(Cc3ccccc3)CC2)s1 ZINC000821466320 606497167 /nfs/dbraw/zinc/49/71/67/606497167.db2.gz VTERYPSXZJWQMZ-UHFFFAOYSA-N -1 3 353.451 3.452 20 0 FGADHM C[C@H](c1cc2ccccc2o1)N(C)C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820554947 606500830 /nfs/dbraw/zinc/50/08/30/606500830.db2.gz CEPFJPZMBCMUOU-CYBMUJFWSA-N -1 3 361.405 3.375 20 0 FGADHM C[C@H](c1cc2ccccc2o1)N(C)C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820554947 606500832 /nfs/dbraw/zinc/50/08/32/606500832.db2.gz CEPFJPZMBCMUOU-CYBMUJFWSA-N -1 3 361.405 3.375 20 0 FGADHM Cc1ccc(NC(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1Br ZINC000822248777 606501478 /nfs/dbraw/zinc/50/14/78/606501478.db2.gz NCCCLRXNESGWIG-UHFFFAOYSA-N -1 3 372.226 3.119 20 0 FGADHM Cc1ccc(NC(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1Br ZINC000822248777 606501479 /nfs/dbraw/zinc/50/14/79/606501479.db2.gz NCCCLRXNESGWIG-UHFFFAOYSA-N -1 3 372.226 3.119 20 0 FGADHM Cc1nc(-c2ccc(NC(=O)Cc3cccc(-c4nnn[n-]4)c3)cc2)co1 ZINC000822419272 606502106 /nfs/dbraw/zinc/50/21/06/606502106.db2.gz OTFITVJGIZZTKO-UHFFFAOYSA-N -1 3 360.377 3.011 20 0 FGADHM Cc1nc(-c2ccc(NC(=O)Cc3cccc(-c4nn[n-]n4)c3)cc2)co1 ZINC000822419272 606502108 /nfs/dbraw/zinc/50/21/08/606502108.db2.gz OTFITVJGIZZTKO-UHFFFAOYSA-N -1 3 360.377 3.011 20 0 FGADHM CC(C)Oc1ccc([C@H](C)NC(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000820155766 606504635 /nfs/dbraw/zinc/50/46/35/606504635.db2.gz WTFKUSZRGQONHJ-AWEZNQCLSA-N -1 3 365.437 3.074 20 0 FGADHM CC(C)Oc1ccc([C@H](C)NC(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000820155766 606504637 /nfs/dbraw/zinc/50/46/37/606504637.db2.gz WTFKUSZRGQONHJ-AWEZNQCLSA-N -1 3 365.437 3.074 20 0 FGADHM O=C(N[C@@H]1CCCC[C@H]1Cc1ccccc1)c1cc(-c2nnn[n-]2)cs1 ZINC000823150301 606508348 /nfs/dbraw/zinc/50/83/48/606508348.db2.gz NTDDTQWEJXROIJ-GOEBONIOSA-N -1 3 367.478 3.460 20 0 FGADHM O=C(N[C@@H]1CCCC[C@H]1Cc1ccccc1)c1cc(-c2nn[n-]n2)cs1 ZINC000823150301 606508350 /nfs/dbraw/zinc/50/83/50/606508350.db2.gz NTDDTQWEJXROIJ-GOEBONIOSA-N -1 3 367.478 3.460 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1ccc2oc(C3CC3)nc2c1 ZINC000823109006 606509158 /nfs/dbraw/zinc/50/91/58/606509158.db2.gz UZCOQYXSTFPNQY-UHFFFAOYSA-N -1 3 360.377 3.067 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1ccc2oc(C3CC3)nc2c1 ZINC000823109006 606509159 /nfs/dbraw/zinc/50/91/59/606509159.db2.gz UZCOQYXSTFPNQY-UHFFFAOYSA-N -1 3 360.377 3.067 20 0 FGADHM CC(C)(C)c1ccc(CCNC(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000819958454 606509361 /nfs/dbraw/zinc/50/93/61/606509361.db2.gz LRXFKBKRDGSJSC-UHFFFAOYSA-N -1 3 363.465 3.066 20 0 FGADHM CC(C)(C)c1ccc(CCNC(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000819958454 606509363 /nfs/dbraw/zinc/50/93/63/606509363.db2.gz LRXFKBKRDGSJSC-UHFFFAOYSA-N -1 3 363.465 3.066 20 0 FGADHM CC(=Cc1ccc(F)cc1)C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000819765382 606522901 /nfs/dbraw/zinc/52/29/01/606522901.db2.gz PDNSWJCZPPHQEL-YLSINNKHSA-N -1 3 351.385 3.287 20 0 FGADHM CC(=Cc1ccc(F)cc1)C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000819765382 606522903 /nfs/dbraw/zinc/52/29/03/606522903.db2.gz PDNSWJCZPPHQEL-YLSINNKHSA-N -1 3 351.385 3.287 20 0 FGADHM CC[C@H](Oc1ccccc1C)C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820939806 606522958 /nfs/dbraw/zinc/52/29/58/606522958.db2.gz YSVKWLBPYCEAJR-PBHICJAKSA-N -1 3 365.437 3.210 20 0 FGADHM CC[C@H](Oc1ccccc1C)C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820939806 606522960 /nfs/dbraw/zinc/52/29/60/606522960.db2.gz YSVKWLBPYCEAJR-PBHICJAKSA-N -1 3 365.437 3.210 20 0 FGADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C/C=C\c1cccc(F)c1 ZINC000821612104 606523413 /nfs/dbraw/zinc/52/34/13/606523413.db2.gz IXCYSVBBMLCTAQ-XQRVVYSFSA-N -1 3 351.385 3.068 20 0 FGADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C/C=C\c1cccc(F)c1 ZINC000821612104 606523415 /nfs/dbraw/zinc/52/34/15/606523415.db2.gz IXCYSVBBMLCTAQ-XQRVVYSFSA-N -1 3 351.385 3.068 20 0 FGADHM C[C@@H](NC(=O)c1sccc1-c1nnn[n-]1)c1c(F)cccc1Cl ZINC000820404389 606529022 /nfs/dbraw/zinc/52/90/22/606529022.db2.gz UMFMAHQCLKAGTN-SSDOTTSWSA-N -1 3 351.794 3.212 20 0 FGADHM C[C@@H](NC(=O)c1sccc1-c1nn[n-]n1)c1c(F)cccc1Cl ZINC000820404389 606529024 /nfs/dbraw/zinc/52/90/24/606529024.db2.gz UMFMAHQCLKAGTN-SSDOTTSWSA-N -1 3 351.794 3.212 20 0 FGADHM O=C(c1cc(-c2nnn[n-]2)cs1)N1CCC[C@@H]1CCc1ccccc1 ZINC000823472622 606537678 /nfs/dbraw/zinc/53/76/78/606537678.db2.gz SWHXXQXMEFPKBD-OAHLLOKOSA-N -1 3 353.451 3.166 20 0 FGADHM O=C(c1cc(-c2nn[n-]n2)cs1)N1CCC[C@@H]1CCc1ccccc1 ZINC000823472622 606537680 /nfs/dbraw/zinc/53/76/80/606537680.db2.gz SWHXXQXMEFPKBD-OAHLLOKOSA-N -1 3 353.451 3.166 20 0 FGADHM O=C(c1sccc1-c1nnn[n-]1)N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000823498497 606538299 /nfs/dbraw/zinc/53/82/99/606538299.db2.gz RTWUUVLCSUSLQR-CQSZACIVSA-N -1 3 357.414 3.435 20 0 FGADHM O=C(c1sccc1-c1nn[n-]n1)N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000823498497 606538300 /nfs/dbraw/zinc/53/83/00/606538300.db2.gz RTWUUVLCSUSLQR-CQSZACIVSA-N -1 3 357.414 3.435 20 0 FGADHM C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)c2cc(-c3nnn[n-]3)cs2)C1 ZINC000820667138 606542153 /nfs/dbraw/zinc/54/21/53/606542153.db2.gz LFXOLZLPQHWUIY-QMTHXVAHSA-N -1 3 357.414 3.291 20 0 FGADHM C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)c2cc(-c3nn[n-]n3)cs2)C1 ZINC000820667138 606542155 /nfs/dbraw/zinc/54/21/55/606542155.db2.gz LFXOLZLPQHWUIY-QMTHXVAHSA-N -1 3 357.414 3.291 20 0 FGADHM Cc1nc([C@H]2CCCN(C(=O)c3cc(-c4nnn[n-]4)cs3)C2)sc1C ZINC000822436589 606543943 /nfs/dbraw/zinc/54/39/43/606543943.db2.gz OKZPFFRISYYLKD-NSHDSACASA-N -1 3 374.495 3.021 20 0 FGADHM Cc1nc([C@H]2CCCN(C(=O)c3cc(-c4nn[n-]n4)cs3)C2)sc1C ZINC000822436589 606543946 /nfs/dbraw/zinc/54/39/46/606543946.db2.gz OKZPFFRISYYLKD-NSHDSACASA-N -1 3 374.495 3.021 20 0 FGADHM CC1(C(=O)OCc2ccc(-c3nnn[n-]3)cc2OC(F)F)CCCC1 ZINC000820577404 606557104 /nfs/dbraw/zinc/55/71/04/606557104.db2.gz PSBXFNIAOJYBPV-UHFFFAOYSA-N -1 3 352.341 3.092 20 0 FGADHM CC1(C(=O)OCc2ccc(-c3nn[n-]n3)cc2OC(F)F)CCCC1 ZINC000820577404 606557105 /nfs/dbraw/zinc/55/71/05/606557105.db2.gz PSBXFNIAOJYBPV-UHFFFAOYSA-N -1 3 352.341 3.092 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H](C)c1ccc(F)cc1F ZINC000821766082 606576696 /nfs/dbraw/zinc/57/66/96/606576696.db2.gz QWGHGNBWWJOSMI-SECBINFHSA-N -1 3 374.351 3.036 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H](C)c1ccc(F)cc1F ZINC000821766082 606576697 /nfs/dbraw/zinc/57/66/97/606576697.db2.gz QWGHGNBWWJOSMI-SECBINFHSA-N -1 3 374.351 3.036 20 0 FGADHM C[C@@H](NC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1)c1cccnc1 ZINC000820397747 606576859 /nfs/dbraw/zinc/57/68/59/606576859.db2.gz SERLEWVCKZHFCW-CQSZACIVSA-N -1 3 370.416 3.420 20 0 FGADHM C[C@@H](NC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1)c1cccnc1 ZINC000820397747 606576860 /nfs/dbraw/zinc/57/68/60/606576860.db2.gz SERLEWVCKZHFCW-CQSZACIVSA-N -1 3 370.416 3.420 20 0 FGADHM Oc1ccc(SCc2ccc(-c3nnn[n-]3)cc2OC(F)F)cc1 ZINC000823732199 606592334 /nfs/dbraw/zinc/59/23/34/606592334.db2.gz JJIBNUUIUPAMFP-UHFFFAOYSA-N -1 3 350.350 3.466 20 0 FGADHM Oc1ccc(SCc2ccc(-c3nn[n-]n3)cc2OC(F)F)cc1 ZINC000823732199 606592336 /nfs/dbraw/zinc/59/23/36/606592336.db2.gz JJIBNUUIUPAMFP-UHFFFAOYSA-N -1 3 350.350 3.466 20 0 FGADHM C[C@@H](C(=O)NCc1cccc(-c2nnn[n-]2)c1)c1ccc2ccccc2c1 ZINC000819864971 606602271 /nfs/dbraw/zinc/60/22/71/606602271.db2.gz ASUGDUSHJHSVRD-CQSZACIVSA-N -1 3 357.417 3.440 20 0 FGADHM C[C@@H](C(=O)NCc1cccc(-c2nn[n-]n2)c1)c1ccc2ccccc2c1 ZINC000819864971 606602272 /nfs/dbraw/zinc/60/22/72/606602272.db2.gz ASUGDUSHJHSVRD-CQSZACIVSA-N -1 3 357.417 3.440 20 0 FGADHM COc1cccc([C@@H](C)CC(=O)OCc2cc(-c3nnn[n-]3)ccc2F)c1 ZINC000821858333 606604081 /nfs/dbraw/zinc/60/40/81/606604081.db2.gz FGBVZVSGPPXYIQ-LBPRGKRZSA-N -1 3 370.384 3.251 20 0 FGADHM COc1cccc([C@@H](C)CC(=O)OCc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC000821858333 606604082 /nfs/dbraw/zinc/60/40/82/606604082.db2.gz FGBVZVSGPPXYIQ-LBPRGKRZSA-N -1 3 370.384 3.251 20 0 FGADHM OCCC1(CNc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)CCCCC1 ZINC000823717257 606610409 /nfs/dbraw/zinc/61/04/09/606610409.db2.gz BWOXCCSRJDQYFD-UHFFFAOYSA-N -1 3 370.379 3.025 20 0 FGADHM OCCC1(CNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)CCCCC1 ZINC000823717257 606610410 /nfs/dbraw/zinc/61/04/10/606610410.db2.gz BWOXCCSRJDQYFD-UHFFFAOYSA-N -1 3 370.379 3.025 20 0 FGADHM CC(=CC(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1cccc(Cl)c1 ZINC000749984547 606626179 /nfs/dbraw/zinc/62/61/79/606626179.db2.gz YJHNIHRAXPEJNY-FMIVXFBMSA-N -1 3 353.813 3.240 20 0 FGADHM CC(=CC(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1cccc(Cl)c1 ZINC000749984547 606626181 /nfs/dbraw/zinc/62/61/81/606626181.db2.gz YJHNIHRAXPEJNY-FMIVXFBMSA-N -1 3 353.813 3.240 20 0 FGADHM CCC1(COC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)COC1 ZINC000820966995 606628899 /nfs/dbraw/zinc/62/88/99/606628899.db2.gz KABVFWSKCYXARD-UHFFFAOYSA-N -1 3 364.405 3.117 20 0 FGADHM CCC1(COC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)COC1 ZINC000820966995 606628901 /nfs/dbraw/zinc/62/89/01/606628901.db2.gz KABVFWSKCYXARD-UHFFFAOYSA-N -1 3 364.405 3.117 20 0 FGADHM CC(C)N(C(=O)CSc1ccc(Cl)cc1-c1nnn[n-]1)C(C)C ZINC000820112414 606630517 /nfs/dbraw/zinc/63/05/17/606630517.db2.gz TVJFKDFSPYKRHD-UHFFFAOYSA-N -1 3 353.879 3.258 20 0 FGADHM CCO[C@H](C)c1noc(CSc2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000821351910 606630507 /nfs/dbraw/zinc/63/05/07/606630507.db2.gz XCQXIQYSMHIGBG-MRVPVSSYSA-N -1 3 366.834 3.293 20 0 FGADHM CCO[C@H](C)c1noc(CSc2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000821351910 606630508 /nfs/dbraw/zinc/63/05/08/606630508.db2.gz XCQXIQYSMHIGBG-MRVPVSSYSA-N -1 3 366.834 3.293 20 0 FGADHM CC(C)N(C(=O)CSc1ccc(Cl)cc1-c1nn[n-]n1)C(C)C ZINC000820112414 606630518 /nfs/dbraw/zinc/63/05/18/606630518.db2.gz TVJFKDFSPYKRHD-UHFFFAOYSA-N -1 3 353.879 3.258 20 0 FGADHM Cc1nc(CNc2ccc(Oc3ccccc3-c3nnn[n-]3)c(F)c2)no1 ZINC000822444220 606656692 /nfs/dbraw/zinc/65/66/92/606656692.db2.gz HGFZEJUAUWLOAB-UHFFFAOYSA-N -1 3 367.344 3.102 20 0 FGADHM Cc1nc(CNc2ccc(Oc3ccccc3-c3nn[n-]n3)c(F)c2)no1 ZINC000822444220 606656693 /nfs/dbraw/zinc/65/66/93/606656693.db2.gz HGFZEJUAUWLOAB-UHFFFAOYSA-N -1 3 367.344 3.102 20 0 FGADHM Cc1cc(OC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)ccc1Cl ZINC000822210908 606663823 /nfs/dbraw/zinc/66/38/23/606663823.db2.gz WDXLNVBKICFEJS-UHFFFAOYSA-N -1 3 350.712 3.326 20 0 FGADHM Cc1cc(OC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)ccc1Cl ZINC000822210908 606663824 /nfs/dbraw/zinc/66/38/24/606663824.db2.gz WDXLNVBKICFEJS-UHFFFAOYSA-N -1 3 350.712 3.326 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@@H]1C[C@@H]1Cc1ccccc1 ZINC000821389320 606666380 /nfs/dbraw/zinc/66/63/80/606666380.db2.gz IWKJZZBPBZRYMF-JKSUJKDBSA-N -1 3 364.405 3.050 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@@H]1C[C@@H]1Cc1ccccc1 ZINC000821389320 606666381 /nfs/dbraw/zinc/66/63/81/606666381.db2.gz IWKJZZBPBZRYMF-JKSUJKDBSA-N -1 3 364.405 3.050 20 0 FGADHM Cc1ccc2c(c1)CCCN2C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000822280811 606666475 /nfs/dbraw/zinc/66/64/75/606666475.db2.gz XPQSSRMNWRGILB-UHFFFAOYSA-N -1 3 355.348 3.046 20 0 FGADHM Cc1ccc2c(c1)CCCN2C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000822280811 606666476 /nfs/dbraw/zinc/66/64/76/606666476.db2.gz XPQSSRMNWRGILB-UHFFFAOYSA-N -1 3 355.348 3.046 20 0 FGADHM CCN(C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1ccc(F)c(F)c1 ZINC000821154841 606670950 /nfs/dbraw/zinc/67/09/50/606670950.db2.gz SVIDDOLWBFPCQV-UHFFFAOYSA-N -1 3 365.290 3.090 20 0 FGADHM CCN(C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccc(F)c(F)c1 ZINC000821154841 606670951 /nfs/dbraw/zinc/67/09/51/606670951.db2.gz SVIDDOLWBFPCQV-UHFFFAOYSA-N -1 3 365.290 3.090 20 0 FGADHM Cc1ccc([C@@H](C)NC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1F ZINC000822228817 606671198 /nfs/dbraw/zinc/67/11/98/606671198.db2.gz GGJUONSNTZRFLW-CHWSQXEVSA-N -1 3 368.416 3.436 20 0 FGADHM Cc1ccc([C@@H](C)NC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1F ZINC000822228817 606671199 /nfs/dbraw/zinc/67/11/99/606671199.db2.gz GGJUONSNTZRFLW-CHWSQXEVSA-N -1 3 368.416 3.436 20 0 FGADHM C[C@@]1(c2ccccc2)CCN(C(=O)C=Cc2ccccc2-c2nnn[n-]2)C1 ZINC000820637107 606690887 /nfs/dbraw/zinc/69/08/87/606690887.db2.gz WWNBREDVJYEMOP-AXUYNXDZSA-N -1 3 359.433 3.070 20 0 FGADHM C[C@@]1(c2ccccc2)CCN(C(=O)C=Cc2ccccc2-c2nn[n-]n2)C1 ZINC000820637107 606690888 /nfs/dbraw/zinc/69/08/88/606690888.db2.gz WWNBREDVJYEMOP-AXUYNXDZSA-N -1 3 359.433 3.070 20 0 FGADHM Cc1cc(O)c(C(C)C)cc1NC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000822210933 606703360 /nfs/dbraw/zinc/70/33/60/606703360.db2.gz XJFQIRBOXXQFTO-UHFFFAOYSA-N -1 3 351.410 3.185 20 0 FGADHM Cc1cc(O)c(C(C)C)cc1NC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000822210933 606703362 /nfs/dbraw/zinc/70/33/62/606703362.db2.gz XJFQIRBOXXQFTO-UHFFFAOYSA-N -1 3 351.410 3.185 20 0 FGADHM CC1(C)C[C@@H](NC(=O)Nc2cccc(-c3nnn[n-]3)c2)c2ccccc2O1 ZINC000820590506 606722247 /nfs/dbraw/zinc/72/22/47/606722247.db2.gz VEWQHDCNTUEWOF-OAHLLOKOSA-N -1 3 364.409 3.291 20 0 FGADHM CC1(C)C[C@@H](NC(=O)Nc2cccc(-c3nn[n-]n3)c2)c2ccccc2O1 ZINC000820590506 606722248 /nfs/dbraw/zinc/72/22/48/606722248.db2.gz VEWQHDCNTUEWOF-OAHLLOKOSA-N -1 3 364.409 3.291 20 0 FGADHM CCOCCOc1cc(C)ccc1CNc1ccc(-c2nn[n-]n2)cc1 ZINC000821383959 606726470 /nfs/dbraw/zinc/72/64/70/606726470.db2.gz NBXSITHJPOLVMN-UHFFFAOYSA-N -1 3 353.426 3.203 20 0 FGADHM CSc1ccc(COC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1 ZINC000821984799 606757399 /nfs/dbraw/zinc/75/73/99/606757399.db2.gz TYAPHJZOTACXLV-UHFFFAOYSA-N -1 3 362.361 3.224 20 0 FGADHM CSc1ccc(COC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1 ZINC000821984799 606757400 /nfs/dbraw/zinc/75/74/00/606757400.db2.gz TYAPHJZOTACXLV-UHFFFAOYSA-N -1 3 362.361 3.224 20 0 FGADHM CC(C)(C)c1ccccc1OCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000819958116 606760991 /nfs/dbraw/zinc/76/09/91/606760991.db2.gz IVERRZOGFPDGOK-UHFFFAOYSA-N -1 3 351.410 3.182 20 0 FGADHM CC(C)(C)c1ccccc1OCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000819958116 606760993 /nfs/dbraw/zinc/76/09/93/606760993.db2.gz IVERRZOGFPDGOK-UHFFFAOYSA-N -1 3 351.410 3.182 20 0 FGADHM CCCCNC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000821072404 606773219 /nfs/dbraw/zinc/77/32/19/606773219.db2.gz SGPAYSKQNWECAZ-UHFFFAOYSA-N -1 3 351.410 3.497 20 0 FGADHM CCCCNC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000821072404 606773221 /nfs/dbraw/zinc/77/32/21/606773221.db2.gz SGPAYSKQNWECAZ-UHFFFAOYSA-N -1 3 351.410 3.497 20 0 FGADHM Cc1ccc(CC(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000822233201 606788401 /nfs/dbraw/zinc/78/84/01/606788401.db2.gz KADBADIVQSLBBD-UHFFFAOYSA-N -1 3 355.829 3.030 20 0 FGADHM Cc1ccc(CC(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000822233201 606788403 /nfs/dbraw/zinc/78/84/03/606788403.db2.gz KADBADIVQSLBBD-UHFFFAOYSA-N -1 3 355.829 3.030 20 0 FGADHM CN(CCOCc1ccccc1)c1nc2ccccc2cc1-c1nnn[n-]1 ZINC000821603696 606806764 /nfs/dbraw/zinc/80/67/64/606806764.db2.gz KKEPNIKBHRMIJL-UHFFFAOYSA-N -1 3 360.421 3.068 20 0 FGADHM CN(CCOCc1ccccc1)c1nc2ccccc2cc1-c1nn[n-]n1 ZINC000821603696 606806765 /nfs/dbraw/zinc/80/67/65/606806765.db2.gz KKEPNIKBHRMIJL-UHFFFAOYSA-N -1 3 360.421 3.068 20 0 FGADHM CC[C@@H](C)Oc1cc(C)ccc1CNC(=O)c1sccc1-c1nnn[n-]1 ZINC000820877046 606812299 /nfs/dbraw/zinc/81/22/99/606812299.db2.gz YSFGJYPVALDDRK-GFCCVEGCSA-N -1 3 371.466 3.344 20 0 FGADHM CC[C@@H](C)Oc1cc(C)ccc1CNC(=O)c1sccc1-c1nn[n-]n1 ZINC000820877046 606812301 /nfs/dbraw/zinc/81/23/01/606812301.db2.gz YSFGJYPVALDDRK-GFCCVEGCSA-N -1 3 371.466 3.344 20 0 FGADHM CC(C)C[C@H]1CCCCN1C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000820061917 606869475 /nfs/dbraw/zinc/86/94/75/606869475.db2.gz HGVMAALHAJJTEE-OAHLLOKOSA-N -1 3 360.437 3.116 20 0 FGADHM CC(C)C[C@H]1CCCCN1C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000820061917 606869477 /nfs/dbraw/zinc/86/94/77/606869477.db2.gz HGVMAALHAJJTEE-OAHLLOKOSA-N -1 3 360.437 3.116 20 0 FGADHM O=C(OCc1cccc(F)c1)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000823429757 606888950 /nfs/dbraw/zinc/88/89/50/606888950.db2.gz AIPLYXSNNCJAGJ-UHFFFAOYSA-N -1 3 366.274 3.382 20 0 FGADHM O=C(OCc1cccc(F)c1)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000823429757 606888952 /nfs/dbraw/zinc/88/89/52/606888952.db2.gz AIPLYXSNNCJAGJ-UHFFFAOYSA-N -1 3 366.274 3.382 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCCC[C@H]1CC(C)C ZINC000821762719 606906799 /nfs/dbraw/zinc/90/67/99/606906799.db2.gz PMKSJKNUUWLHNX-AWEZNQCLSA-N -1 3 358.446 3.308 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCCC[C@H]1CC(C)C ZINC000821762719 606906800 /nfs/dbraw/zinc/90/68/00/606906800.db2.gz PMKSJKNUUWLHNX-AWEZNQCLSA-N -1 3 358.446 3.308 20 0 FGADHM C[C@@](O)(CNc1ccc(C(F)(F)F)cc1-c1nnn[n-]1)c1ccsc1 ZINC000820467253 606912556 /nfs/dbraw/zinc/91/25/56/606912556.db2.gz CLLOINNUVVRFKK-CQSZACIVSA-N -1 3 369.372 3.267 20 0 FGADHM C[C@@](O)(CNc1ccc(C(F)(F)F)cc1-c1nn[n-]n1)c1ccsc1 ZINC000820467253 606912558 /nfs/dbraw/zinc/91/25/58/606912558.db2.gz CLLOINNUVVRFKK-CQSZACIVSA-N -1 3 369.372 3.267 20 0 FGADHM FC(F)(F)c1ccc(N2CCOc3ccccc3C2)c(-c2nnn[n-]2)c1 ZINC000822723781 606923007 /nfs/dbraw/zinc/92/30/07/606923007.db2.gz OITLIRUCFHQYRM-UHFFFAOYSA-N -1 3 361.327 3.285 20 0 FGADHM FC(F)(F)c1ccc(N2CCOc3ccccc3C2)c(-c2nn[n-]n2)c1 ZINC000822723781 606923009 /nfs/dbraw/zinc/92/30/09/606923009.db2.gz OITLIRUCFHQYRM-UHFFFAOYSA-N -1 3 361.327 3.285 20 0 FGADHM O[C@H](CN1CC2(CCCC2)c2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000823675759 606930755 /nfs/dbraw/zinc/93/07/55/606930755.db2.gz ZIIVUDIRKZPUSD-LJQANCHMSA-N -1 3 361.449 3.232 20 0 FGADHM O[C@H](CN1CC2(CCCC2)c2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000823675759 606930757 /nfs/dbraw/zinc/93/07/57/606930757.db2.gz ZIIVUDIRKZPUSD-LJQANCHMSA-N -1 3 361.449 3.232 20 0 FGADHM O[C@@H](CN1CC2(CCCC2)c2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000823675758 606931042 /nfs/dbraw/zinc/93/10/42/606931042.db2.gz ZIIVUDIRKZPUSD-IBGZPJMESA-N -1 3 361.449 3.232 20 0 FGADHM O[C@@H](CN1CC2(CCCC2)c2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000823675758 606931043 /nfs/dbraw/zinc/93/10/43/606931043.db2.gz ZIIVUDIRKZPUSD-IBGZPJMESA-N -1 3 361.449 3.232 20 0 FGADHM CCc1cc(Br)ccc1NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821471297 606936745 /nfs/dbraw/zinc/93/67/45/606936745.db2.gz YWBYNDHNUREYON-UHFFFAOYSA-N -1 3 372.226 3.444 20 0 FGADHM CCc1cc(Br)ccc1NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821471297 606936746 /nfs/dbraw/zinc/93/67/46/606936746.db2.gz YWBYNDHNUREYON-UHFFFAOYSA-N -1 3 372.226 3.444 20 0 FGADHM CCc1nc2c(s1)[C@H](N(C)C(=O)c1cc(-c3nnn[n-]3)cs1)CCC2 ZINC000821510136 606938540 /nfs/dbraw/zinc/93/85/40/606938540.db2.gz XNQXENDAUPKMFY-LLVKDONJSA-N -1 3 374.495 3.097 20 0 FGADHM CCc1nc2c(s1)[C@H](N(C)C(=O)c1cc(-c3nn[n-]n3)cs1)CCC2 ZINC000821510136 606938541 /nfs/dbraw/zinc/93/85/41/606938541.db2.gz XNQXENDAUPKMFY-LLVKDONJSA-N -1 3 374.495 3.097 20 0 FGADHM CCc1nc2c(s1)[C@@H](N(C)C(=O)c1cc(-c3nnn[n-]3)cs1)CCC2 ZINC000821510137 606938834 /nfs/dbraw/zinc/93/88/34/606938834.db2.gz XNQXENDAUPKMFY-NSHDSACASA-N -1 3 374.495 3.097 20 0 FGADHM CCc1nc2c(s1)[C@@H](N(C)C(=O)c1cc(-c3nn[n-]n3)cs1)CCC2 ZINC000821510137 606938836 /nfs/dbraw/zinc/93/88/36/606938836.db2.gz XNQXENDAUPKMFY-NSHDSACASA-N -1 3 374.495 3.097 20 0 FGADHM CN(CCC1CCOCC1)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000821599451 606944376 /nfs/dbraw/zinc/94/43/76/606944376.db2.gz VHJGJSGZRQCZGI-UHFFFAOYSA-N -1 3 355.364 3.138 20 0 FGADHM CN(CCC1CCOCC1)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000821599451 606944377 /nfs/dbraw/zinc/94/43/77/606944377.db2.gz VHJGJSGZRQCZGI-UHFFFAOYSA-N -1 3 355.364 3.138 20 0 FGADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)COC/C=C\c2ccccc2)s1 ZINC000821466018 606957153 /nfs/dbraw/zinc/95/71/53/606957153.db2.gz UMDFOORXYHJBBI-TWGQIWQCSA-N -1 3 369.450 3.159 20 0 FGADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)COC/C=C\c2ccccc2)s1 ZINC000821466018 606957155 /nfs/dbraw/zinc/95/71/55/606957155.db2.gz UMDFOORXYHJBBI-TWGQIWQCSA-N -1 3 369.450 3.159 20 0 FGADHM CN(Cc1nc2ccccc2s1)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000821611253 606959574 /nfs/dbraw/zinc/95/95/74/606959574.db2.gz XVXAWKMINZNMBG-UHFFFAOYSA-N -1 3 354.414 3.248 20 0 FGADHM CN(Cc1nc2ccccc2s1)Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821611253 606959576 /nfs/dbraw/zinc/95/95/76/606959576.db2.gz XVXAWKMINZNMBG-UHFFFAOYSA-N -1 3 354.414 3.248 20 0 FGADHM CN(C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821569171 606964167 /nfs/dbraw/zinc/96/41/67/606964167.db2.gz AYCICDLGWRIMHV-LSDHHAIUSA-N -1 3 371.803 3.426 20 0 FGADHM CN(C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821569171 606964169 /nfs/dbraw/zinc/96/41/69/606964169.db2.gz AYCICDLGWRIMHV-LSDHHAIUSA-N -1 3 371.803 3.426 20 0 FGADHM CN(C(=O)c1ccc(OC(F)(F)F)cc1)c1ccccc1-c1nnn[n-]1 ZINC000821574817 606974032 /nfs/dbraw/zinc/97/40/32/606974032.db2.gz YPOHREGCXNJEDP-UHFFFAOYSA-N -1 3 363.299 3.042 20 0 FGADHM CN(C(=O)c1ccc(OC(F)(F)F)cc1)c1ccccc1-c1nn[n-]n1 ZINC000821574817 606974033 /nfs/dbraw/zinc/97/40/33/606974033.db2.gz YPOHREGCXNJEDP-UHFFFAOYSA-N -1 3 363.299 3.042 20 0 FGADHM Cc1csc(C2(NCc3ccc(F)c(-c4nnn[n-]4)c3)CCCC2)n1 ZINC000822409147 606978131 /nfs/dbraw/zinc/97/81/31/606978131.db2.gz NBMMBSLINYSGDD-UHFFFAOYSA-N -1 3 358.446 3.330 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)c1ccc(-c2ccco2)s1 ZINC000821699521 606985684 /nfs/dbraw/zinc/98/56/84/606985684.db2.gz SWJTUBJTYGLYTL-UHFFFAOYSA-N -1 3 368.374 3.416 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)c1ccc(-c2ccco2)s1 ZINC000821699521 606985686 /nfs/dbraw/zinc/98/56/86/606985686.db2.gz SWJTUBJTYGLYTL-UHFFFAOYSA-N -1 3 368.374 3.416 20 0 FGADHM Cc1ccc(C(=O)CCC(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)s1 ZINC000822225115 606991938 /nfs/dbraw/zinc/99/19/38/606991938.db2.gz OXALHAONRAIUFC-UHFFFAOYSA-N -1 3 374.397 3.082 20 0 FGADHM Cc1ccc(C(=O)CCC(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)s1 ZINC000822225115 606991940 /nfs/dbraw/zinc/99/19/40/606991940.db2.gz OXALHAONRAIUFC-UHFFFAOYSA-N -1 3 374.397 3.082 20 0 FGADHM CC(=CC(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1)c1cccc(F)c1 ZINC000819763747 606999694 /nfs/dbraw/zinc/99/96/94/606999694.db2.gz CEZHMPBTAWMQNQ-XFFZJAGNSA-N -1 3 356.332 3.292 20 0 FGADHM CC(=CC(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1)c1cccc(F)c1 ZINC000819763747 606999696 /nfs/dbraw/zinc/99/96/96/606999696.db2.gz CEZHMPBTAWMQNQ-XFFZJAGNSA-N -1 3 356.332 3.292 20 0 FGADHM C[C@H](Cc1ccccc1F)C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820300037 606999901 /nfs/dbraw/zinc/99/99/01/606999901.db2.gz NDRWEIGNFBFSNN-LLVKDONJSA-N -1 3 358.348 3.067 20 0 FGADHM C[C@H](Cc1ccccc1F)C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820300037 606999903 /nfs/dbraw/zinc/99/99/03/606999903.db2.gz NDRWEIGNFBFSNN-LLVKDONJSA-N -1 3 358.348 3.067 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)c1ncoc1-c1ccccc1 ZINC000823427147 607001347 /nfs/dbraw/zinc/00/13/47/607001347.db2.gz YKCQHGSTHSJCGH-UHFFFAOYSA-N -1 3 365.324 3.018 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)c1ncoc1-c1ccccc1 ZINC000823427147 607001349 /nfs/dbraw/zinc/00/13/49/607001349.db2.gz YKCQHGSTHSJCGH-UHFFFAOYSA-N -1 3 365.324 3.018 20 0 FGADHM Fc1ccccc1-c1nnc(SCc2ccc(F)c(-c3nnn[n-]3)c2)o1 ZINC000822775370 607007288 /nfs/dbraw/zinc/00/72/88/607007288.db2.gz WRURFQIPGGNZAP-UHFFFAOYSA-N -1 3 372.360 3.487 20 0 FGADHM Fc1ccccc1-c1nnc(SCc2ccc(F)c(-c3nn[n-]n3)c2)o1 ZINC000822775370 607007289 /nfs/dbraw/zinc/00/72/89/607007289.db2.gz WRURFQIPGGNZAP-UHFFFAOYSA-N -1 3 372.360 3.487 20 0 FGADHM CC=C(C=CC(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1)CC ZINC000820825931 607022832 /nfs/dbraw/zinc/02/28/32/607022832.db2.gz HNGNAVHKLWCHRP-XUBVAWOGSA-N -1 3 367.453 3.149 20 0 FGADHM CC=C(C=CC(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1)CC ZINC000820825931 607022833 /nfs/dbraw/zinc/02/28/33/607022833.db2.gz HNGNAVHKLWCHRP-XUBVAWOGSA-N -1 3 367.453 3.149 20 0 FGADHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(N3CCOC4(CCCC4)C3)c2c1 ZINC000822195122 607030951 /nfs/dbraw/zinc/03/09/51/607030951.db2.gz HWVYOUSSZIGSEP-UHFFFAOYSA-N -1 3 364.453 3.181 20 0 FGADHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(N3CCOC4(CCCC4)C3)c2c1 ZINC000822195122 607030952 /nfs/dbraw/zinc/03/09/52/607030952.db2.gz HWVYOUSSZIGSEP-UHFFFAOYSA-N -1 3 364.453 3.181 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1OCC(=O)N[C@H](C)c1ccccc1Cl ZINC000822221451 607031404 /nfs/dbraw/zinc/03/14/04/607031404.db2.gz PEYPAWMFEBOXIR-GFCCVEGCSA-N -1 3 371.828 3.085 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1OCC(=O)N[C@H](C)c1ccccc1Cl ZINC000822221451 607031406 /nfs/dbraw/zinc/03/14/06/607031406.db2.gz PEYPAWMFEBOXIR-GFCCVEGCSA-N -1 3 371.828 3.085 20 0 FGADHM Fc1ccc(-c2nnn[n-]2)c(CSCCCOCC(F)(F)F)c1 ZINC000822758684 607035563 /nfs/dbraw/zinc/03/55/63/607035563.db2.gz WCOZISDGSLENJF-UHFFFAOYSA-N -1 3 350.341 3.208 20 0 FGADHM Fc1ccc(-c2nn[n-]n2)c(CSCCCOCC(F)(F)F)c1 ZINC000822758684 607035564 /nfs/dbraw/zinc/03/55/64/607035564.db2.gz WCOZISDGSLENJF-UHFFFAOYSA-N -1 3 350.341 3.208 20 0 FGADHM CC(C)CNc1nnc(SCc2cc(F)ccc2-c2nnn[n-]2)s1 ZINC000820097642 607037534 /nfs/dbraw/zinc/03/75/34/607037534.db2.gz QAAUAVPOZDVFQR-UHFFFAOYSA-N -1 3 365.463 3.218 20 0 FGADHM CC(C)CNc1nnc(SCc2cc(F)ccc2-c2nn[n-]n2)s1 ZINC000820097642 607037535 /nfs/dbraw/zinc/03/75/35/607037535.db2.gz QAAUAVPOZDVFQR-UHFFFAOYSA-N -1 3 365.463 3.218 20 0 FGADHM C[C@@H](Nc1ncccc1-c1nnn[n-]1)c1ccc(OCC2CC2)c(F)c1 ZINC000820462084 607045496 /nfs/dbraw/zinc/04/54/96/607045496.db2.gz URGWGDZDPLQBAE-LLVKDONJSA-N -1 3 354.389 3.363 20 0 FGADHM C[C@@H](Nc1ncccc1-c1nn[n-]n1)c1ccc(OCC2CC2)c(F)c1 ZINC000820462084 607045499 /nfs/dbraw/zinc/04/54/99/607045499.db2.gz URGWGDZDPLQBAE-LLVKDONJSA-N -1 3 354.389 3.363 20 0 FGADHM CC(C)C[C@@H]1CCCN(C(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820068154 607053156 /nfs/dbraw/zinc/05/31/56/607053156.db2.gz OKLUCTWQZSDDCW-GJZGRUSLSA-N -1 3 356.474 3.395 20 0 FGADHM CC(C)C[C@@H]1CCCN(C(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820068154 607053158 /nfs/dbraw/zinc/05/31/58/607053158.db2.gz OKLUCTWQZSDDCW-GJZGRUSLSA-N -1 3 356.474 3.395 20 0 FGADHM CCC1(CNC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)CCCC1 ZINC000820956968 607063331 /nfs/dbraw/zinc/06/33/31/607063331.db2.gz LIMHHLHYICAFDL-UHFFFAOYSA-N -1 3 357.458 3.111 20 0 FGADHM CCC1(CNC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC000820956968 607063333 /nfs/dbraw/zinc/06/33/33/607063333.db2.gz LIMHHLHYICAFDL-UHFFFAOYSA-N -1 3 357.458 3.111 20 0 FGADHM O=C(CCc1ccccc1Cl)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000822983911 607074154 /nfs/dbraw/zinc/07/41/54/607074154.db2.gz XLFVMOXLEJSSDZ-UHFFFAOYSA-N -1 3 360.776 3.335 20 0 FGADHM O=C(CCc1ccccc1Cl)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000822983911 607074155 /nfs/dbraw/zinc/07/41/55/607074155.db2.gz XLFVMOXLEJSSDZ-UHFFFAOYSA-N -1 3 360.776 3.335 20 0 FGADHM O=C(Cc1c(F)cccc1Cl)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000823073737 607077890 /nfs/dbraw/zinc/07/78/90/607077890.db2.gz AFAGJUSNYJVLQP-UHFFFAOYSA-N -1 3 364.739 3.084 20 0 FGADHM O=C(Cc1c(F)cccc1Cl)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000823073737 607077892 /nfs/dbraw/zinc/07/78/92/607077892.db2.gz AFAGJUSNYJVLQP-UHFFFAOYSA-N -1 3 364.739 3.084 20 0 FGADHM CCc1cccc(OC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821492299 607079691 /nfs/dbraw/zinc/07/96/91/607079691.db2.gz KUWLQDTYCRSIGQ-UHFFFAOYSA-N -1 3 352.394 3.192 20 0 FGADHM CCc1cccc(OC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821492299 607079693 /nfs/dbraw/zinc/07/96/93/607079693.db2.gz KUWLQDTYCRSIGQ-UHFFFAOYSA-N -1 3 352.394 3.192 20 0 FGADHM CC(C)(C(=O)OCc1cc(F)ccc1-c1nnn[n-]1)c1ccccc1F ZINC000819892087 607080103 /nfs/dbraw/zinc/08/01/03/607080103.db2.gz UCAQLAMIIONTMB-UHFFFAOYSA-N -1 3 358.348 3.166 20 0 FGADHM CC(C)(C(=O)OCc1cc(F)ccc1-c1nn[n-]n1)c1ccccc1F ZINC000819892087 607080105 /nfs/dbraw/zinc/08/01/05/607080105.db2.gz UCAQLAMIIONTMB-UHFFFAOYSA-N -1 3 358.348 3.166 20 0 FGADHM C[C@@H](Cc1cccc(F)c1)C(=O)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000820300968 607080292 /nfs/dbraw/zinc/08/02/92/607080292.db2.gz UAIITBWJPDYVSM-NSHDSACASA-N -1 3 358.348 3.067 20 0 FGADHM C[C@@H](Cc1cccc(F)c1)C(=O)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000820300968 607080293 /nfs/dbraw/zinc/08/02/93/607080293.db2.gz UAIITBWJPDYVSM-NSHDSACASA-N -1 3 358.348 3.067 20 0 FGADHM CC[C@H](Cc1ccccc1)N(CC)C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820913699 607087250 /nfs/dbraw/zinc/08/72/50/607087250.db2.gz JMPDOUQAPOQDTO-OAHLLOKOSA-N -1 3 355.467 3.412 20 0 FGADHM CC[C@H](Cc1ccccc1)N(CC)C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820913699 607087252 /nfs/dbraw/zinc/08/72/52/607087252.db2.gz JMPDOUQAPOQDTO-OAHLLOKOSA-N -1 3 355.467 3.412 20 0 FGADHM C[C@H](Nc1ccccc1O[C@@H]1CCOC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820461871 607110598 /nfs/dbraw/zinc/11/05/98/607110598.db2.gz RTBWVWDVXMGUJY-XJKSGUPXSA-N -1 3 351.410 3.208 20 0 FGADHM C[C@H](Nc1ccccc1O[C@@H]1CCOC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820461871 607110599 /nfs/dbraw/zinc/11/05/99/607110599.db2.gz RTBWVWDVXMGUJY-XJKSGUPXSA-N -1 3 351.410 3.208 20 0 FGADHM CS/C=C/C(=O)OCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000821956633 607119990 /nfs/dbraw/zinc/11/99/90/607119990.db2.gz UDKGNVZDHDWEFY-ZHACJKMWSA-N -1 3 352.419 3.454 20 0 FGADHM CS/C=C/C(=O)OCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000821956633 607119991 /nfs/dbraw/zinc/11/99/91/607119991.db2.gz UDKGNVZDHDWEFY-ZHACJKMWSA-N -1 3 352.419 3.454 20 0 FGADHM C[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)cc2F)C[C@@H](c2ccsc2)O1 ZINC000820759353 607122811 /nfs/dbraw/zinc/12/28/11/607122811.db2.gz JSSDIOYQUIYFFS-BZNIZROVSA-N -1 3 359.430 3.029 20 0 FGADHM C[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)cc2F)C[C@@H](c2ccsc2)O1 ZINC000820759353 607122813 /nfs/dbraw/zinc/12/28/13/607122813.db2.gz JSSDIOYQUIYFFS-BZNIZROVSA-N -1 3 359.430 3.029 20 0 FGADHM c1ccc2nc(N[C@H]3CCOC4(CCCC4)C3)c(-c3nnn[n-]3)cc2c1 ZINC000823802181 607131632 /nfs/dbraw/zinc/13/16/32/607131632.db2.gz ITEPNLPPHBDZPT-AWEZNQCLSA-N -1 3 350.426 3.319 20 0 FGADHM c1ccc2nc(N[C@H]3CCOC4(CCCC4)C3)c(-c3nn[n-]n3)cc2c1 ZINC000823802181 607131633 /nfs/dbraw/zinc/13/16/33/607131633.db2.gz ITEPNLPPHBDZPT-AWEZNQCLSA-N -1 3 350.426 3.319 20 0 FGADHM FC(F)(F)c1cc(N[C@H]2CCOC3(CCC3)C2)ccc1-c1nnn[n-]1 ZINC000822723417 607132783 /nfs/dbraw/zinc/13/27/83/607132783.db2.gz DHISHWKCZCBQOD-NSHDSACASA-N -1 3 353.348 3.399 20 0 FGADHM FC(F)(F)c1cc(N[C@H]2CCOC3(CCC3)C2)ccc1-c1nn[n-]n1 ZINC000822723417 607132784 /nfs/dbraw/zinc/13/27/84/607132784.db2.gz DHISHWKCZCBQOD-NSHDSACASA-N -1 3 353.348 3.399 20 0 FGADHM COC(=O)c1cc2cc(COc3ccc(-c4nnn[n-]4)cc3F)ccc2o1 ZINC000821669088 607136065 /nfs/dbraw/zinc/13/60/65/607136065.db2.gz XKWJBFSCCFAVHD-UHFFFAOYSA-N -1 3 368.324 3.118 20 0 FGADHM COC(=O)c1cc2cc(COc3ccc(-c4nn[n-]n4)cc3F)ccc2o1 ZINC000821669088 607136067 /nfs/dbraw/zinc/13/60/67/607136067.db2.gz XKWJBFSCCFAVHD-UHFFFAOYSA-N -1 3 368.324 3.118 20 0 FGADHM Cc1coc(-c2ccc(C)c(NC(=O)c3cc(-c4nnn[n-]4)cs3)c2)n1 ZINC000822402836 607137042 /nfs/dbraw/zinc/13/70/42/607137042.db2.gz IUVITKWLYGPFDV-UHFFFAOYSA-N -1 3 366.406 3.452 20 0 FGADHM Cc1coc(-c2ccc(C)c(NC(=O)c3cc(-c4nn[n-]n4)cs3)c2)n1 ZINC000822402836 607137044 /nfs/dbraw/zinc/13/70/44/607137044.db2.gz IUVITKWLYGPFDV-UHFFFAOYSA-N -1 3 366.406 3.452 20 0 FGADHM Fc1ccc(-c2cnc(COc3ccc(-c4nnn[n-]4)cc3F)o2)cc1 ZINC000822753201 607139122 /nfs/dbraw/zinc/13/91/22/607139122.db2.gz ITHLOFXQPSTIRC-UHFFFAOYSA-N -1 3 355.304 3.379 20 0 FGADHM Fc1ccc(-c2cnc(COc3ccc(-c4nn[n-]n4)cc3F)o2)cc1 ZINC000822753201 607139124 /nfs/dbraw/zinc/13/91/24/607139124.db2.gz ITHLOFXQPSTIRC-UHFFFAOYSA-N -1 3 355.304 3.379 20 0 FGADHM CSc1cccc(NC(=O)[C@H](C)Oc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000821984017 607139383 /nfs/dbraw/zinc/13/93/83/607139383.db2.gz LHPITRBPWZUBPI-JTQLQIEISA-N -1 3 373.413 3.134 20 0 FGADHM CSc1cccc(NC(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000821984017 607139384 /nfs/dbraw/zinc/13/93/84/607139384.db2.gz LHPITRBPWZUBPI-JTQLQIEISA-N -1 3 373.413 3.134 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(F)c(Cl)c1 ZINC000823427037 607155521 /nfs/dbraw/zinc/15/55/21/607155521.db2.gz SFLXTCXHPFRKBG-UHFFFAOYSA-N -1 3 350.712 3.155 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(F)c(Cl)c1 ZINC000823427037 607155523 /nfs/dbraw/zinc/15/55/23/607155523.db2.gz SFLXTCXHPFRKBG-UHFFFAOYSA-N -1 3 350.712 3.155 20 0 FGADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1C(F)(F)F ZINC000823418572 607155698 /nfs/dbraw/zinc/15/56/98/607155698.db2.gz RZMUMIXXYOXANO-UHFFFAOYSA-N -1 3 366.274 3.382 20 0 FGADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1C(F)(F)F ZINC000823418572 607155701 /nfs/dbraw/zinc/15/57/01/607155701.db2.gz RZMUMIXXYOXANO-UHFFFAOYSA-N -1 3 366.274 3.382 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H](C)OC1CCCCCC1 ZINC000821401580 607156839 /nfs/dbraw/zinc/15/68/39/607156839.db2.gz XPXQUJKWEXNZJP-CYBMUJFWSA-N -1 3 373.457 3.332 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H](C)OC1CCCCCC1 ZINC000821401580 607156841 /nfs/dbraw/zinc/15/68/41/607156841.db2.gz XPXQUJKWEXNZJP-CYBMUJFWSA-N -1 3 373.457 3.332 20 0 FGADHM CSc1ccccc1NCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000821988506 607165979 /nfs/dbraw/zinc/16/59/79/607165979.db2.gz DTIRALXSBUPNLI-UHFFFAOYSA-N -1 3 365.422 3.251 20 0 FGADHM CSc1ccccc1NCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000821988506 607165980 /nfs/dbraw/zinc/16/59/80/607165980.db2.gz DTIRALXSBUPNLI-UHFFFAOYSA-N -1 3 365.422 3.251 20 0 FGADHM Fc1ccc(Cl)cc1NCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000822774871 607167827 /nfs/dbraw/zinc/16/78/27/607167827.db2.gz QDEBQBAJLCUBIE-UHFFFAOYSA-N -1 3 371.763 3.321 20 0 FGADHM Fc1ccc(Cl)cc1NCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000822774871 607167829 /nfs/dbraw/zinc/16/78/29/607167829.db2.gz QDEBQBAJLCUBIE-UHFFFAOYSA-N -1 3 371.763 3.321 20 0 FGADHM c1cncc(-c2nc3c(c(Sc4ccc(-c5nnn[n-]5)cc4)n2)CCC3)c1 ZINC000823815845 607173436 /nfs/dbraw/zinc/17/34/36/607173436.db2.gz KNGGSOLFVWHNKG-UHFFFAOYSA-N -1 3 373.445 3.359 20 0 FGADHM c1cncc(-c2nc3c(c(Sc4ccc(-c5nn[n-]n5)cc4)n2)CCC3)c1 ZINC000823815845 607173437 /nfs/dbraw/zinc/17/34/37/607173437.db2.gz KNGGSOLFVWHNKG-UHFFFAOYSA-N -1 3 373.445 3.359 20 0 FGADHM O=C(Nc1cccc2oc(C(F)(F)F)nc21)c1cccc(-c2nnn[n-]2)c1 ZINC000823367292 607187276 /nfs/dbraw/zinc/18/72/76/607187276.db2.gz IFEAGZXOAWWAST-UHFFFAOYSA-N -1 3 374.282 3.279 20 0 FGADHM O=C(Nc1cccc2oc(C(F)(F)F)nc21)c1cccc(-c2nn[n-]n2)c1 ZINC000823367292 607187277 /nfs/dbraw/zinc/18/72/77/607187277.db2.gz IFEAGZXOAWWAST-UHFFFAOYSA-N -1 3 374.282 3.279 20 0 FGADHM CN(CCc1ccccc1F)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821604688 607195700 /nfs/dbraw/zinc/19/57/00/607195700.db2.gz AWMPDIDTGPFBED-UHFFFAOYSA-N -1 3 374.807 3.366 20 0 FGADHM CN(CCc1ccccc1F)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821604688 607195701 /nfs/dbraw/zinc/19/57/01/607195701.db2.gz AWMPDIDTGPFBED-UHFFFAOYSA-N -1 3 374.807 3.366 20 0 FGADHM CC(C)(NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)c1nccs1 ZINC000819988392 607196017 /nfs/dbraw/zinc/19/60/17/607196017.db2.gz ZKJRUOUTYORGAR-UHFFFAOYSA-N -1 3 363.834 3.033 20 0 FGADHM CC(C)(NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)c1nccs1 ZINC000819988392 607196018 /nfs/dbraw/zinc/19/60/18/607196018.db2.gz ZKJRUOUTYORGAR-UHFFFAOYSA-N -1 3 363.834 3.033 20 0 FGADHM CC(C)[C@@H]1CN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)CCS1 ZINC000820044330 607199699 /nfs/dbraw/zinc/19/96/99/607199699.db2.gz FQGBIIZKQIOULK-ZDUSSCGKSA-N -1 3 366.878 3.125 20 0 FGADHM CC(C)[C@@H]1CN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)CCS1 ZINC000820044330 607199700 /nfs/dbraw/zinc/19/97/00/607199700.db2.gz FQGBIIZKQIOULK-ZDUSSCGKSA-N -1 3 366.878 3.125 20 0 FGADHM O=C(NC[C@H]1CCc2ccccc21)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823182827 607204462 /nfs/dbraw/zinc/20/44/62/607204462.db2.gz ORPBDOIMMCDQFZ-CYBMUJFWSA-N -1 3 368.828 3.372 20 0 FGADHM O=C(NC[C@H]1CCc2ccccc21)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823182827 607204463 /nfs/dbraw/zinc/20/44/63/607204463.db2.gz ORPBDOIMMCDQFZ-CYBMUJFWSA-N -1 3 368.828 3.372 20 0 FGADHM O=C(NC/C=C\c1ccccc1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823182887 607204665 /nfs/dbraw/zinc/20/46/65/607204665.db2.gz PNHREXUAUHUQPZ-DAXSKMNVSA-N -1 3 354.801 3.355 20 0 FGADHM O=C(NC/C=C\c1ccccc1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823182887 607204666 /nfs/dbraw/zinc/20/46/66/607204666.db2.gz PNHREXUAUHUQPZ-DAXSKMNVSA-N -1 3 354.801 3.355 20 0 FGADHM COc1ccccc1[C@@H](NCc1cccc(-c2nnn[n-]2)c1)c1ccco1 ZINC000821882470 607229990 /nfs/dbraw/zinc/22/99/90/607229990.db2.gz BWIJXHWPTDPVOI-LJQANCHMSA-N -1 3 361.405 3.348 20 0 FGADHM COc1ccccc1[C@@H](NCc1cccc(-c2nn[n-]n2)c1)c1ccco1 ZINC000821882470 607229991 /nfs/dbraw/zinc/22/99/91/607229991.db2.gz BWIJXHWPTDPVOI-LJQANCHMSA-N -1 3 361.405 3.348 20 0 FGADHM Cc1ccc(OCCCC(=O)Nc2sccc2-c2nnn[n-]2)c(C)c1 ZINC000822262698 607235743 /nfs/dbraw/zinc/23/57/43/607235743.db2.gz DBINZYHLPMWMOA-UHFFFAOYSA-N -1 3 357.439 3.343 20 0 FGADHM Cc1ccc(OCCCC(=O)Nc2sccc2-c2nn[n-]n2)c(C)c1 ZINC000822262698 607235744 /nfs/dbraw/zinc/23/57/44/607235744.db2.gz DBINZYHLPMWMOA-UHFFFAOYSA-N -1 3 357.439 3.343 20 0 FGADHM O=C(Cc1ccc(F)cc1Cl)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000823082137 607236128 /nfs/dbraw/zinc/23/61/28/607236128.db2.gz BGGPWUQZIHJYSX-UHFFFAOYSA-N -1 3 366.183 3.494 20 0 FGADHM O=C(Cc1ccc(F)cc1Cl)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000823082137 607236129 /nfs/dbraw/zinc/23/61/29/607236129.db2.gz BGGPWUQZIHJYSX-UHFFFAOYSA-N -1 3 366.183 3.494 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)[C@@H]1C[C@H]1Cc1ccccc1 ZINC000823314167 607242778 /nfs/dbraw/zinc/24/27/78/607242778.db2.gz NEZAJFWOBCFWTN-ZIAGYGMSSA-N -1 3 353.813 3.337 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)[C@@H]1C[C@H]1Cc1ccccc1 ZINC000823314167 607242779 /nfs/dbraw/zinc/24/27/79/607242779.db2.gz NEZAJFWOBCFWTN-ZIAGYGMSSA-N -1 3 353.813 3.337 20 0 FGADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)c1cc2ccccc2c(Cl)n1 ZINC000823450348 607245731 /nfs/dbraw/zinc/24/57/31/607245731.db2.gz PBUFSWRKILZNDK-UHFFFAOYSA-N -1 3 369.743 3.427 20 0 FGADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)c1cc2ccccc2c(Cl)n1 ZINC000823450348 607245732 /nfs/dbraw/zinc/24/57/32/607245732.db2.gz PBUFSWRKILZNDK-UHFFFAOYSA-N -1 3 369.743 3.427 20 0 FGADHM O=C(CCc1ccc(Cl)s1)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000822977899 607245740 /nfs/dbraw/zinc/24/57/40/607245740.db2.gz BHZRWYMMVVARQY-UHFFFAOYSA-N -1 3 352.778 3.259 20 0 FGADHM O=C(CCc1ccc(Cl)s1)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000822977899 607245741 /nfs/dbraw/zinc/24/57/41/607245741.db2.gz BHZRWYMMVVARQY-UHFFFAOYSA-N -1 3 352.778 3.259 20 0 FGADHM Cc1nc2cc(F)ccc2cc1C(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000822459865 607249708 /nfs/dbraw/zinc/24/97/08/607249708.db2.gz ZMDLEYOJVUASAE-UHFFFAOYSA-N -1 3 367.315 3.221 20 0 FGADHM Cc1nc2cc(F)ccc2cc1C(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000822459865 607249709 /nfs/dbraw/zinc/24/97/09/607249709.db2.gz ZMDLEYOJVUASAE-UHFFFAOYSA-N -1 3 367.315 3.221 20 0 FGADHM CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC000825154191 607787766 /nfs/dbraw/zinc/78/77/66/607787766.db2.gz MMTKGPHAVRMRPK-KEYYUXOJSA-N -1 3 357.458 3.203 20 0 FGADHM CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC000825154191 607787767 /nfs/dbraw/zinc/78/77/67/607787767.db2.gz MMTKGPHAVRMRPK-KEYYUXOJSA-N -1 3 357.458 3.203 20 0 FGADHM CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC000825154196 607787862 /nfs/dbraw/zinc/78/78/62/607787862.db2.gz MMTKGPHAVRMRPK-ZQIUZPCESA-N -1 3 357.458 3.203 20 0 FGADHM CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC000825154196 607787863 /nfs/dbraw/zinc/78/78/63/607787863.db2.gz MMTKGPHAVRMRPK-ZQIUZPCESA-N -1 3 357.458 3.203 20 0 FGADHM Cc1oc(-c2ccccc2)nc1C(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC000826340365 607787958 /nfs/dbraw/zinc/78/79/58/607787958.db2.gz VKBVAJXCQZNZST-UHFFFAOYSA-N -1 3 360.377 3.107 20 0 FGADHM Cc1oc(-c2ccccc2)nc1C(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC000826340365 607787959 /nfs/dbraw/zinc/78/79/59/607787959.db2.gz VKBVAJXCQZNZST-UHFFFAOYSA-N -1 3 360.377 3.107 20 0 FGADHM CCC(=CC(=O)N(C)c1ccccc1-c1nnn[n-]1)c1ccc(OC)cc1 ZINC000825029155 607788831 /nfs/dbraw/zinc/78/88/31/607788831.db2.gz NUVMAZXTYYZBHT-YPKPFQOOSA-N -1 3 363.421 3.332 20 0 FGADHM CCC(=CC(=O)N(C)c1ccccc1-c1nn[n-]n1)c1ccc(OC)cc1 ZINC000825029155 607788832 /nfs/dbraw/zinc/78/88/32/607788832.db2.gz NUVMAZXTYYZBHT-YPKPFQOOSA-N -1 3 363.421 3.332 20 0 FGADHM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC000824908157 607790512 /nfs/dbraw/zinc/79/05/12/607790512.db2.gz MVIYFHFAHDIBSN-RVKKMQEKSA-N -1 3 371.485 3.307 20 0 FGADHM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC000824908157 607790513 /nfs/dbraw/zinc/79/05/13/607790513.db2.gz MVIYFHFAHDIBSN-RVKKMQEKSA-N -1 3 371.485 3.307 20 0 FGADHM CN(C(=O)CSc1ccc2c(c1)CCC2)c1ccccc1-c1nnn[n-]1 ZINC000825820953 607790752 /nfs/dbraw/zinc/79/07/52/607790752.db2.gz YZDMRCOJJHNZTE-UHFFFAOYSA-N -1 3 365.462 3.111 20 0 FGADHM CN(C(=O)CSc1ccc2c(c1)CCC2)c1ccccc1-c1nn[n-]n1 ZINC000825820953 607790753 /nfs/dbraw/zinc/79/07/53/607790753.db2.gz YZDMRCOJJHNZTE-UHFFFAOYSA-N -1 3 365.462 3.111 20 0 FGADHM CC1(C)C[C@@H]1C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000824796185 607793838 /nfs/dbraw/zinc/79/38/38/607793838.db2.gz MZKROQOJCLSHBJ-CQSZACIVSA-N -1 3 350.382 3.039 20 0 FGADHM CC1(C)C[C@@H]1C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000824796185 607793839 /nfs/dbraw/zinc/79/38/39/607793839.db2.gz MZKROQOJCLSHBJ-CQSZACIVSA-N -1 3 350.382 3.039 20 0 FGADHM CC(C)[C@H]1CC[C@H](C(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)CC1 ZINC000824343096 607794332 /nfs/dbraw/zinc/79/43/32/607794332.db2.gz WDUCQJFPMZXZKL-SHTZXODSSA-N -1 3 353.470 3.434 20 0 FGADHM CC(C)[C@H]1CC[C@H](C(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)CC1 ZINC000824343096 607794333 /nfs/dbraw/zinc/79/43/33/607794333.db2.gz WDUCQJFPMZXZKL-SHTZXODSSA-N -1 3 353.470 3.434 20 0 FGADHM CCN(C(=O)c1cc(C)n(-c2ccccc2)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825379259 607796502 /nfs/dbraw/zinc/79/65/02/607796502.db2.gz DZSVVRGHCPONDT-UHFFFAOYSA-N -1 3 373.420 3.028 20 0 FGADHM CCN(C(=O)c1cc(C)n(-c2ccccc2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825379259 607796503 /nfs/dbraw/zinc/79/65/03/607796503.db2.gz DZSVVRGHCPONDT-UHFFFAOYSA-N -1 3 373.420 3.028 20 0 FGADHM CCN(C(=O)c1cc(-c2ccc(C)cc2)no1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825376282 607798237 /nfs/dbraw/zinc/79/82/37/607798237.db2.gz FHLFFCUXMZWBDW-UHFFFAOYSA-N -1 3 374.404 3.497 20 0 FGADHM CCN(C(=O)c1cc(-c2ccc(C)cc2)no1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825376282 607798238 /nfs/dbraw/zinc/79/82/38/607798238.db2.gz FHLFFCUXMZWBDW-UHFFFAOYSA-N -1 3 374.404 3.497 20 0 FGADHM CC(C)Oc1ccc(NC(=O)NCCC2=CCCC2)cc1-c1nnn[n-]1 ZINC000824329226 607803783 /nfs/dbraw/zinc/80/37/83/607803783.db2.gz MCUQELYSOUBNLV-UHFFFAOYSA-N -1 3 356.430 3.276 20 0 FGADHM CC(C)Oc1ccc(NC(=O)NCCC2=CCCC2)cc1-c1nn[n-]n1 ZINC000824329226 607803784 /nfs/dbraw/zinc/80/37/84/607803784.db2.gz MCUQELYSOUBNLV-UHFFFAOYSA-N -1 3 356.430 3.276 20 0 FGADHM C[C@H](OC(=O)CC1(C)CCCCC1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000824715461 607806142 /nfs/dbraw/zinc/80/61/42/607806142.db2.gz SHQCUZRWYLVQBV-ZDUSSCGKSA-N -1 3 371.441 3.097 20 0 FGADHM C[C@H](OC(=O)CC1(C)CCCCC1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000824715461 607806143 /nfs/dbraw/zinc/80/61/43/607806143.db2.gz SHQCUZRWYLVQBV-ZDUSSCGKSA-N -1 3 371.441 3.097 20 0 FGADHM Clc1ccccc1OC[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000826354331 607820499 /nfs/dbraw/zinc/82/04/99/607820499.db2.gz YFAMFTRQYVEUMS-ZDUSSCGKSA-N -1 3 370.844 3.211 20 0 FGADHM Clc1ccccc1OC[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000826354331 607820500 /nfs/dbraw/zinc/82/05/00/607820500.db2.gz YFAMFTRQYVEUMS-ZDUSSCGKSA-N -1 3 370.844 3.211 20 0 FGADHM CCN(C(=O)[C@@H](OC)c1ccccc1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367927 607833968 /nfs/dbraw/zinc/83/39/68/607833968.db2.gz XRJSAFBCAOIZHM-KSSFIOAISA-N -1 3 365.437 3.164 20 0 FGADHM CCN(C(=O)[C@@H](OC)c1ccccc1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367927 607833969 /nfs/dbraw/zinc/83/39/69/607833969.db2.gz XRJSAFBCAOIZHM-KSSFIOAISA-N -1 3 365.437 3.164 20 0 FGADHM CC(C)n1cc(NC(=O)c2c(Cl)cc(-c3nnn[n-]3)cc2Cl)cn1 ZINC000824371832 607834122 /nfs/dbraw/zinc/83/41/22/607834122.db2.gz VBAMBFZGSZKZLJ-UHFFFAOYSA-N -1 3 366.212 3.203 20 0 FGADHM CC(C)n1cc(NC(=O)c2c(Cl)cc(-c3nn[n-]n3)cc2Cl)cn1 ZINC000824371832 607834123 /nfs/dbraw/zinc/83/41/23/607834123.db2.gz VBAMBFZGSZKZLJ-UHFFFAOYSA-N -1 3 366.212 3.203 20 0 FGADHM O[C@@H](CNc1ccc2cc(-c3nnn[n-]3)ccc2n1)c1ccc(Cl)cc1 ZINC000826504270 607839809 /nfs/dbraw/zinc/83/98/09/607839809.db2.gz RRQLBMZTKFQJNO-INIZCTEOSA-N -1 3 366.812 3.214 20 0 FGADHM O[C@@H](CNc1ccc2cc(-c3nn[n-]n3)ccc2n1)c1ccc(Cl)cc1 ZINC000826504270 607839810 /nfs/dbraw/zinc/83/98/10/607839810.db2.gz RRQLBMZTKFQJNO-INIZCTEOSA-N -1 3 366.812 3.214 20 0 FGADHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1N1CC[C@H](C2CCOCC2)C1 ZINC000826368502 607851469 /nfs/dbraw/zinc/85/14/69/607851469.db2.gz RNUHTKRDAVJFQH-ZDUSSCGKSA-N -1 3 367.375 3.138 20 0 FGADHM Cc1ccc(C(=O)Oc2ccc(-c3nnn[n-]3)cc2)c(Br)c1 ZINC000826282288 607861551 /nfs/dbraw/zinc/86/15/51/607861551.db2.gz HGASQVOSWGFVTJ-UHFFFAOYSA-N -1 3 359.183 3.157 20 0 FGADHM Cc1ccc(C(=O)Oc2ccc(-c3nn[n-]n3)cc2)c(Br)c1 ZINC000826282288 607861552 /nfs/dbraw/zinc/86/15/52/607861552.db2.gz HGASQVOSWGFVTJ-UHFFFAOYSA-N -1 3 359.183 3.157 20 0 FGADHM Clc1ccc(Br)cc1Oc1ncccc1-c1nnn[n-]1 ZINC000826351348 607867221 /nfs/dbraw/zinc/86/72/21/607867221.db2.gz JBSQWIWBAZRZHE-UHFFFAOYSA-N -1 3 352.579 3.470 20 0 FGADHM O[C@@H](COc1ccc(-c2nnn[n-]2)cc1F)c1cccc(C(F)(F)F)c1 ZINC000826505056 607875906 /nfs/dbraw/zinc/87/59/06/607875906.db2.gz LBKSTGXJACTXAP-ZDUSSCGKSA-N -1 3 368.290 3.137 20 0 FGADHM O[C@@H](COc1ccc(-c2nn[n-]n2)cc1F)c1cccc(C(F)(F)F)c1 ZINC000826505056 607875907 /nfs/dbraw/zinc/87/59/07/607875907.db2.gz LBKSTGXJACTXAP-ZDUSSCGKSA-N -1 3 368.290 3.137 20 0 FGADHM CC(=O)N1CC[C@@H](Nc2c(F)cc(-c3nnn[n-]3)cc2F)c2ccccc21 ZINC000823973994 607937301 /nfs/dbraw/zinc/93/73/01/607937301.db2.gz NOXNOMVMFGZCNH-OAHLLOKOSA-N -1 3 370.363 3.055 20 0 FGADHM CC(=O)N1CC[C@@H](Nc2c(F)cc(-c3nn[n-]n3)cc2F)c2ccccc21 ZINC000823973994 607937302 /nfs/dbraw/zinc/93/73/02/607937302.db2.gz NOXNOMVMFGZCNH-OAHLLOKOSA-N -1 3 370.363 3.055 20 0 FGADHM O=C([C@@H]1CC[C@H]2CCCC[C@@H]2C1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826398748 607950150 /nfs/dbraw/zinc/95/01/50/607950150.db2.gz FBYXIWOAIVKUCW-FRFSOERESA-N -1 3 351.454 3.362 20 0 FGADHM O=C([C@@H]1CC[C@H]2CCCC[C@@H]2C1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826398748 607950151 /nfs/dbraw/zinc/95/01/51/607950151.db2.gz FBYXIWOAIVKUCW-FRFSOERESA-N -1 3 351.454 3.362 20 0 FGADHM O=C(c1ccccc1N1CCCCC1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826474364 607950412 /nfs/dbraw/zinc/95/04/12/607950412.db2.gz NBJHLVPQBWPLCT-UHFFFAOYSA-N -1 3 374.448 3.060 20 0 FGADHM O=C(c1ccccc1N1CCCCC1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826474364 607950413 /nfs/dbraw/zinc/95/04/13/607950413.db2.gz NBJHLVPQBWPLCT-UHFFFAOYSA-N -1 3 374.448 3.060 20 0 FGADHM C[C@H](C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21)c1ccc(Cl)s1 ZINC000824040693 607951491 /nfs/dbraw/zinc/95/14/91/607951491.db2.gz TUUSYDDLWYZDRP-VIFPVBQESA-N -1 3 359.842 3.274 20 0 FGADHM C[C@H](C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21)c1ccc(Cl)s1 ZINC000824040693 607951492 /nfs/dbraw/zinc/95/14/92/607951492.db2.gz TUUSYDDLWYZDRP-VIFPVBQESA-N -1 3 359.842 3.274 20 0 FGADHM CCC(=O)c1cc(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)ccc1F ZINC000825034047 607962037 /nfs/dbraw/zinc/96/20/37/607962037.db2.gz DFFVHXFUCVLTFD-UHFFFAOYSA-N -1 3 371.347 3.014 20 0 FGADHM CCC(=O)c1cc(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)ccc1F ZINC000825034047 607962038 /nfs/dbraw/zinc/96/20/38/607962038.db2.gz DFFVHXFUCVLTFD-UHFFFAOYSA-N -1 3 371.347 3.014 20 0 FGADHM Cc1cc(C(=O)N(C)c2ccccc2-c2nnn[n-]2)ccc1Br ZINC000826257965 607963319 /nfs/dbraw/zinc/96/33/19/607963319.db2.gz VGFFTBROPVKDQL-UHFFFAOYSA-N -1 3 372.226 3.214 20 0 FGADHM Cc1cc(C(=O)N(C)c2ccccc2-c2nn[n-]n2)ccc1Br ZINC000826257965 607963320 /nfs/dbraw/zinc/96/33/20/607963320.db2.gz VGFFTBROPVKDQL-UHFFFAOYSA-N -1 3 372.226 3.214 20 0 FGADHM Cc1cccc(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)c1Br ZINC000826295587 607963425 /nfs/dbraw/zinc/96/34/25/607963425.db2.gz OFZHFNYWGCQJIZ-UHFFFAOYSA-N -1 3 372.226 3.214 20 0 FGADHM Cc1cccc(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)c1Br ZINC000826295587 607963426 /nfs/dbraw/zinc/96/34/26/607963426.db2.gz OFZHFNYWGCQJIZ-UHFFFAOYSA-N -1 3 372.226 3.214 20 0 FGADHM c1ccc2c(c1)[nH]c1c2CCN(c2cc(-c3nnn[n-]3)c3ccccc3n2)C1 ZINC000826522626 607969445 /nfs/dbraw/zinc/96/94/45/607969445.db2.gz IGLJMOQNQDPJEP-UHFFFAOYSA-N -1 3 367.416 3.459 20 0 FGADHM c1ccc2c(c1)[nH]c1c2CCN(c2cc(-c3nn[n-]n3)c3ccccc3n2)C1 ZINC000826522626 607969446 /nfs/dbraw/zinc/96/94/46/607969446.db2.gz IGLJMOQNQDPJEP-UHFFFAOYSA-N -1 3 367.416 3.459 20 0 FGADHM C[C@H](NC(=O)c1cc(C2CCCCC2)n[nH]1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824516964 607970337 /nfs/dbraw/zinc/97/03/37/607970337.db2.gz ZCDPZCUCKLUPSO-LBPRGKRZSA-N -1 3 365.441 3.129 20 0 FGADHM C[C@H](NC(=O)c1cc(C2CCCCC2)n[nH]1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824516964 607970338 /nfs/dbraw/zinc/97/03/38/607970338.db2.gz ZCDPZCUCKLUPSO-LBPRGKRZSA-N -1 3 365.441 3.129 20 0 FGADHM c1ccc(-c2nnn[n-]2)c(COc2cccc(-c3nc4cc[nH]cc-4n3)c2)c1 ZINC000826517844 607974620 /nfs/dbraw/zinc/97/46/20/607974620.db2.gz QMJSKWQXLYIJNX-UHFFFAOYSA-N -1 3 369.388 3.384 20 0 FGADHM c1ccc(-c2nn[n-]n2)c(COc2cccc(-c3nc4cc[nH]cc-4n3)c2)c1 ZINC000826517844 607974621 /nfs/dbraw/zinc/97/46/21/607974621.db2.gz QMJSKWQXLYIJNX-UHFFFAOYSA-N -1 3 369.388 3.384 20 0 FGADHM O[C@@H](COc1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)cc1Cl ZINC000826505158 607982362 /nfs/dbraw/zinc/98/23/62/607982362.db2.gz OELRGIBNTQZJFG-AWEZNQCLSA-N -1 3 351.193 3.286 20 0 FGADHM O[C@@H](COc1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)cc1Cl ZINC000826505158 607982363 /nfs/dbraw/zinc/98/23/63/607982363.db2.gz OELRGIBNTQZJFG-AWEZNQCLSA-N -1 3 351.193 3.286 20 0 FGADHM COc1ccc(C[C@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000826191208 608006575 /nfs/dbraw/zinc/00/65/75/608006575.db2.gz ZXOSIULSCUSTFT-NSHDSACASA-N -1 3 371.828 3.346 20 0 FGADHM COc1ccc(C[C@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000826191208 608006576 /nfs/dbraw/zinc/00/65/76/608006576.db2.gz ZXOSIULSCUSTFT-NSHDSACASA-N -1 3 371.828 3.346 20 0 FGADHM C[C@H](Nc1nccc(OCc2ccccc2)n1)c1cccc(-c2nnn[n-]2)c1 ZINC000824669218 608015509 /nfs/dbraw/zinc/01/55/09/608015509.db2.gz BEKOYRMXTRYPFJ-AWEZNQCLSA-N -1 3 373.420 3.409 20 0 FGADHM C[C@H](Nc1nccc(OCc2ccccc2)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000824669218 608015510 /nfs/dbraw/zinc/01/55/10/608015510.db2.gz BEKOYRMXTRYPFJ-AWEZNQCLSA-N -1 3 373.420 3.409 20 0 FGADHM C[C@@H](Nc1nccc(OCc2ccccc2)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824670610 608015535 /nfs/dbraw/zinc/01/55/35/608015535.db2.gz SFZWBCPAVIDFPT-CQSZACIVSA-N -1 3 373.420 3.409 20 0 FGADHM C[C@@H](Nc1nccc(OCc2ccccc2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824670610 608015536 /nfs/dbraw/zinc/01/55/36/608015536.db2.gz SFZWBCPAVIDFPT-CQSZACIVSA-N -1 3 373.420 3.409 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1nccc(OCc2ccccc2)n1 ZINC000826255323 608015651 /nfs/dbraw/zinc/01/56/51/608015651.db2.gz TYHQYEWNVDUZLX-UHFFFAOYSA-N -1 3 360.377 3.336 20 0 FGADHM O=C(c1cccc(-c2ccoc2)c1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826473892 608026040 /nfs/dbraw/zinc/02/60/40/608026040.db2.gz SFJWISQODXVAIU-UHFFFAOYSA-N -1 3 357.373 3.330 20 0 FGADHM O=C(c1cccc(-c2ccoc2)c1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826473892 608026041 /nfs/dbraw/zinc/02/60/41/608026041.db2.gz SFJWISQODXVAIU-UHFFFAOYSA-N -1 3 357.373 3.330 20 0 FGADHM CC[C@H](C)n1ncc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2)c1C1CC1 ZINC000825083289 608029656 /nfs/dbraw/zinc/02/96/56/608029656.db2.gz ZILPRZVNIGBPBB-LBPRGKRZSA-N -1 3 366.425 3.269 20 0 FGADHM CC[C@H](C)n1ncc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2)c1C1CC1 ZINC000825083289 608029657 /nfs/dbraw/zinc/02/96/57/608029657.db2.gz ZILPRZVNIGBPBB-LBPRGKRZSA-N -1 3 366.425 3.269 20 0 FGADHM Cc1cc2c(ncnc2N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)s1 ZINC000826273088 608049032 /nfs/dbraw/zinc/04/90/32/608049032.db2.gz OUYMWGYOPJTLBS-UHFFFAOYSA-N -1 3 363.450 3.349 20 0 FGADHM Cc1cc2c(ncnc2N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)s1 ZINC000826273088 608049033 /nfs/dbraw/zinc/04/90/33/608049033.db2.gz OUYMWGYOPJTLBS-UHFFFAOYSA-N -1 3 363.450 3.349 20 0 FGADHM CS[C@@H]1CC[C@H](Nc2ccc(-c3nn[n-]n3)cc2Br)C1 ZINC000826227532 608050892 /nfs/dbraw/zinc/05/08/92/608050892.db2.gz SPLUIDGIGUSWBU-VHSXEESVSA-N -1 3 354.277 3.325 20 0 FGADHM Cc1cc(C)n(-c2ccccc2NCc2cc(-c3nnn[n-]3)cs2)n1 ZINC000826265304 608055867 /nfs/dbraw/zinc/05/58/67/608055867.db2.gz UCMYAPXLZMWWTQ-UHFFFAOYSA-N -1 3 351.439 3.343 20 0 FGADHM Cc1cc(C)n(-c2ccccc2NCc2cc(-c3nn[n-]n3)cs2)n1 ZINC000826265304 608055868 /nfs/dbraw/zinc/05/58/68/608055868.db2.gz UCMYAPXLZMWWTQ-UHFFFAOYSA-N -1 3 351.439 3.343 20 0 FGADHM CN(C(=O)CCCc1cc(F)ccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000825817752 608066431 /nfs/dbraw/zinc/06/64/31/608066431.db2.gz OOKXPPDLNNSKGW-UHFFFAOYSA-N -1 3 357.364 3.131 20 0 FGADHM CN(C(=O)CCCc1cc(F)ccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000825817752 608066432 /nfs/dbraw/zinc/06/64/32/608066432.db2.gz OOKXPPDLNNSKGW-UHFFFAOYSA-N -1 3 357.364 3.131 20 0 FGADHM Clc1ccc(CN2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)cc1 ZINC000826352271 608066770 /nfs/dbraw/zinc/06/67/70/608066770.db2.gz VFVYIFNHYWNYKR-KRWDZBQOSA-N -1 3 355.829 3.094 20 0 FGADHM Clc1ccc(CN2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)cc1 ZINC000826352271 608066771 /nfs/dbraw/zinc/06/67/71/608066771.db2.gz VFVYIFNHYWNYKR-KRWDZBQOSA-N -1 3 355.829 3.094 20 0 FGADHM CCSCc1ccnc(NC(=O)c2ccc(-c3nnn[n-]3)cc2C)c1 ZINC000825674709 608073883 /nfs/dbraw/zinc/07/38/83/608073883.db2.gz QYZFUWPXIMTDJJ-UHFFFAOYSA-N -1 3 354.439 3.076 20 0 FGADHM CCSCc1ccnc(NC(=O)c2ccc(-c3nn[n-]n3)cc2C)c1 ZINC000825674709 608073884 /nfs/dbraw/zinc/07/38/84/608073884.db2.gz QYZFUWPXIMTDJJ-UHFFFAOYSA-N -1 3 354.439 3.076 20 0 FGADHM C[C@H](C(=O)OCc1ccc(F)cc1-c1nnn[n-]1)c1c(F)cccc1F ZINC000824051768 608117224 /nfs/dbraw/zinc/11/72/24/608117224.db2.gz DKBICHRNOYHYRX-VIFPVBQESA-N -1 3 362.311 3.131 20 0 FGADHM C[C@H](C(=O)OCc1ccc(F)cc1-c1nn[n-]n1)c1c(F)cccc1F ZINC000824051768 608117225 /nfs/dbraw/zinc/11/72/25/608117225.db2.gz DKBICHRNOYHYRX-VIFPVBQESA-N -1 3 362.311 3.131 20 0 FGADHM COc1ccccc1OC[C@@H](C)CNc1ccc(-c2nn[n-]n2)cc1F ZINC000826220458 608124275 /nfs/dbraw/zinc/12/42/75/608124275.db2.gz OMXUQLULUXUSTB-LBPRGKRZSA-N -1 3 357.389 3.141 20 0 FGADHM COc1ccccc1OC[C@@H](C)CNc1nc(C)cc(C)c1-c1nnn[n-]1 ZINC000826220254 608124374 /nfs/dbraw/zinc/12/43/74/608124374.db2.gz HOKGZMNXNWUWQP-LBPRGKRZSA-N -1 3 368.441 3.014 20 0 FGADHM COc1ccccc1OC[C@@H](C)CNc1nc(C)cc(C)c1-c1nn[n-]n1 ZINC000826220254 608124375 /nfs/dbraw/zinc/12/43/75/608124375.db2.gz HOKGZMNXNWUWQP-LBPRGKRZSA-N -1 3 368.441 3.014 20 0 FGADHM COCCOc1ccc(-c2nnn[n-]2)cc1NCc1coc2ccccc12 ZINC000826162597 608136416 /nfs/dbraw/zinc/13/64/16/608136416.db2.gz JPKKXQHUDVWDCZ-UHFFFAOYSA-N -1 3 365.393 3.250 20 0 FGADHM COCCOc1ccc(-c2nn[n-]n2)cc1NCc1coc2ccccc12 ZINC000826162597 608136417 /nfs/dbraw/zinc/13/64/17/608136417.db2.gz JPKKXQHUDVWDCZ-UHFFFAOYSA-N -1 3 365.393 3.250 20 0 FGADHM CC(C)(C)[C@H]1C[C@H](Nc2nc3ccccc3cc2-c2nnn[n-]2)CCO1 ZINC000824077987 608149277 /nfs/dbraw/zinc/14/92/77/608149277.db2.gz GVAGXNUMYXKTSS-CZUORRHYSA-N -1 3 352.442 3.421 20 0 FGADHM CC(C)(C)[C@H]1C[C@H](Nc2nc3ccccc3cc2-c2nn[n-]n2)CCO1 ZINC000824077987 608149278 /nfs/dbraw/zinc/14/92/78/608149278.db2.gz GVAGXNUMYXKTSS-CZUORRHYSA-N -1 3 352.442 3.421 20 0 FGADHM C[C@@H]1CCC[C@@H](CSCC(=O)NCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000824930012 608155484 /nfs/dbraw/zinc/15/54/84/608155484.db2.gz ZGYGASSUPQTOFQ-UKRRQHHQSA-N -1 3 359.499 3.042 20 0 FGADHM C[C@@H]1CCC[C@@H](CSCC(=O)NCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000824930012 608155485 /nfs/dbraw/zinc/15/54/85/608155485.db2.gz ZGYGASSUPQTOFQ-UKRRQHHQSA-N -1 3 359.499 3.042 20 0 FGADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)c1cc(C)c(C)s1 ZINC000825793013 608174508 /nfs/dbraw/zinc/17/45/08/608174508.db2.gz IZVGUZVCYDAYQZ-UHFFFAOYSA-N -1 3 367.438 3.167 20 0 FGADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)c1cc(C)c(C)s1 ZINC000825793013 608174510 /nfs/dbraw/zinc/17/45/10/608174510.db2.gz IZVGUZVCYDAYQZ-UHFFFAOYSA-N -1 3 367.438 3.167 20 0 FGADHM C[C@@H](OC(=O)c1cc(=O)[nH]c2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000824721635 608183466 /nfs/dbraw/zinc/18/34/66/608183466.db2.gz CKWLGWPRQRYZER-LLVKDONJSA-N -1 3 361.361 3.039 20 0 FGADHM C[C@@H](OC(=O)c1cc(=O)[nH]c2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000824721635 608183468 /nfs/dbraw/zinc/18/34/68/608183468.db2.gz CKWLGWPRQRYZER-LLVKDONJSA-N -1 3 361.361 3.039 20 0 FGADHM C[C@H](OC(=O)C=Cc1ccnc(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824714527 608196781 /nfs/dbraw/zinc/19/67/81/608196781.db2.gz NSWKKLWURZCLER-QRGHLMKCSA-N -1 3 355.785 3.233 20 0 FGADHM C[C@H](OC(=O)C=Cc1ccnc(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824714527 608196782 /nfs/dbraw/zinc/19/67/82/608196782.db2.gz NSWKKLWURZCLER-QRGHLMKCSA-N -1 3 355.785 3.233 20 0 FGADHM CC[C@H](C)[C@@H](O)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825060010 608200014 /nfs/dbraw/zinc/20/00/14/608200014.db2.gz NFOAISKEMGVLAR-YVEFUNNKSA-N -1 3 367.409 3.005 20 0 FGADHM CC[C@H](C)[C@@H](O)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825060010 608200016 /nfs/dbraw/zinc/20/00/16/608200016.db2.gz NFOAISKEMGVLAR-YVEFUNNKSA-N -1 3 367.409 3.005 20 0 FGADHM O[C@H](CNc1ccc2cc(-c3nnn[n-]3)ccc2n1)c1cccc(Cl)c1 ZINC000826504535 608224077 /nfs/dbraw/zinc/22/40/77/608224077.db2.gz YBMURITWKJWPBI-MRXNPFEDSA-N -1 3 366.812 3.214 20 0 FGADHM O[C@H](CNc1ccc2cc(-c3nn[n-]n3)ccc2n1)c1cccc(Cl)c1 ZINC000826504535 608224079 /nfs/dbraw/zinc/22/40/79/608224079.db2.gz YBMURITWKJWPBI-MRXNPFEDSA-N -1 3 366.812 3.214 20 0 FGADHM Fc1ccc(OCCNc2ccc3cc(-c4nnn[n-]4)ccc3n2)c(F)c1 ZINC000826376005 608227235 /nfs/dbraw/zinc/22/72/35/608227235.db2.gz KNFAQLRGEQNOHO-UHFFFAOYSA-N -1 3 368.347 3.184 20 0 FGADHM Fc1ccc(OCCNc2ccc3cc(-c4nn[n-]n4)ccc3n2)c(F)c1 ZINC000826376005 608227237 /nfs/dbraw/zinc/22/72/37/608227237.db2.gz KNFAQLRGEQNOHO-UHFFFAOYSA-N -1 3 368.347 3.184 20 0 FGADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)C(F)(F)c1ccccc1F ZINC000826453760 608229536 /nfs/dbraw/zinc/22/95/36/608229536.db2.gz YNDOIYNGKXREPL-UHFFFAOYSA-N -1 3 367.718 3.390 20 0 FGADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)C(F)(F)c1ccccc1F ZINC000826453760 608229537 /nfs/dbraw/zinc/22/95/37/608229537.db2.gz YNDOIYNGKXREPL-UHFFFAOYSA-N -1 3 367.718 3.390 20 0 FGADHM C[C@H](COCc1ccccc1)Nc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000824440500 608229600 /nfs/dbraw/zinc/22/96/00/608229600.db2.gz DGGORJSQQAVSQI-CQSZACIVSA-N -1 3 360.421 3.432 20 0 FGADHM C[C@H](COCc1ccccc1)Nc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000824440500 608229601 /nfs/dbraw/zinc/22/96/01/608229601.db2.gz DGGORJSQQAVSQI-CQSZACIVSA-N -1 3 360.421 3.432 20 0 FGADHM CC(C)(C)[C@@H]1C[C@@H](Nc2ccc3cc(-c4nnn[n-]4)ccc3n2)CCO1 ZINC000824079631 608234063 /nfs/dbraw/zinc/23/40/63/608234063.db2.gz QMXJYXZEBLQCLW-HOCLYGCPSA-N -1 3 352.442 3.421 20 0 FGADHM CC(C)(C)[C@@H]1C[C@@H](Nc2ccc3cc(-c4nn[n-]n4)ccc3n2)CCO1 ZINC000824079631 608234065 /nfs/dbraw/zinc/23/40/65/608234065.db2.gz QMXJYXZEBLQCLW-HOCLYGCPSA-N -1 3 352.442 3.421 20 0 FGADHM FC(F)Oc1ccc([C@@H]2CN(c3ccc(-c4nn[n-]n4)cc3)CCO2)cc1 ZINC000826369384 608235708 /nfs/dbraw/zinc/23/57/08/608235708.db2.gz AIBJEKZKYITVOL-INIZCTEOSA-N -1 3 373.363 3.046 20 0 FGADHM O=C(CNc1ccc(C2CC2)cc1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826414242 608236758 /nfs/dbraw/zinc/23/67/58/608236758.db2.gz LYOVMPJKZOATER-UHFFFAOYSA-N -1 3 368.828 3.448 20 0 FGADHM O=C(CNc1ccc(C2CC2)cc1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826414242 608236760 /nfs/dbraw/zinc/23/67/60/608236760.db2.gz LYOVMPJKZOATER-UHFFFAOYSA-N -1 3 368.828 3.448 20 0 FGADHM CCc1nc2ccccc2n1C1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000825750094 608240935 /nfs/dbraw/zinc/24/09/35/608240935.db2.gz MDPAJSJEIMQVCJ-UHFFFAOYSA-N -1 3 374.452 3.015 20 0 FGADHM CCc1nc2ccccc2n1C1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000825750094 608240937 /nfs/dbraw/zinc/24/09/37/608240937.db2.gz MDPAJSJEIMQVCJ-UHFFFAOYSA-N -1 3 374.452 3.015 20 0 FGADHM OC[C@H](Nc1ccc2cc(-c3nnn[n-]3)ccc2n1)c1ccc(Cl)cc1 ZINC000826508664 608242172 /nfs/dbraw/zinc/24/21/72/608242172.db2.gz XXNJOLWQRURWQP-INIZCTEOSA-N -1 3 366.812 3.214 20 0 FGADHM OC[C@H](Nc1ccc2cc(-c3nn[n-]n3)ccc2n1)c1ccc(Cl)cc1 ZINC000826508664 608242174 /nfs/dbraw/zinc/24/21/74/608242174.db2.gz XXNJOLWQRURWQP-INIZCTEOSA-N -1 3 366.812 3.214 20 0 FGADHM CC(C)(C)Oc1cc(F)ccc1NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824119437 608251050 /nfs/dbraw/zinc/25/10/50/608251050.db2.gz IVUKRZYRXKBWDW-UHFFFAOYSA-N -1 3 355.373 3.435 20 0 FGADHM CC(C)(C)Oc1cc(F)ccc1NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824119437 608251051 /nfs/dbraw/zinc/25/10/51/608251051.db2.gz IVUKRZYRXKBWDW-UHFFFAOYSA-N -1 3 355.373 3.435 20 0 FGADHM CC(C)(C)Oc1cc(F)ccc1NC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000824119368 608251131 /nfs/dbraw/zinc/25/11/31/608251131.db2.gz GUJNWVJNJRFZDS-UHFFFAOYSA-N -1 3 369.400 3.364 20 0 FGADHM CC(C)(C)Oc1cc(F)ccc1NC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000824119368 608251133 /nfs/dbraw/zinc/25/11/33/608251133.db2.gz GUJNWVJNJRFZDS-UHFFFAOYSA-N -1 3 369.400 3.364 20 0 FGADHM C[C@H](c1cccnc1)N(C)Cc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000824771139 608260072 /nfs/dbraw/zinc/26/00/72/608260072.db2.gz PQNFWCCPCNRTDH-LLVKDONJSA-N -1 3 360.368 3.056 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)c(N2CCC(Cc3cccc(F)c3)CC2)n1 ZINC000826274247 608275759 /nfs/dbraw/zinc/27/57/59/608275759.db2.gz LCGRMJUUUNBPGD-UHFFFAOYSA-N -1 3 352.417 3.168 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)c(N2CCC(Cc3cccc(F)c3)CC2)n1 ZINC000826274247 608275760 /nfs/dbraw/zinc/27/57/60/608275760.db2.gz LCGRMJUUUNBPGD-UHFFFAOYSA-N -1 3 352.417 3.168 20 0 FGADHM CSc1ccc(CNc2nc3c(cc2-c2nnn[n-]2)CCCC3)cc1 ZINC000826230858 608276275 /nfs/dbraw/zinc/27/62/75/608276275.db2.gz MKYZQNQQVGXXAR-UHFFFAOYSA-N -1 3 352.467 3.475 20 0 FGADHM CSc1ccc(CNc2nc3c(cc2-c2nn[n-]n2)CCCC3)cc1 ZINC000826230858 608276277 /nfs/dbraw/zinc/27/62/77/608276277.db2.gz MKYZQNQQVGXXAR-UHFFFAOYSA-N -1 3 352.467 3.475 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)c(NCc2ccnc(OC3CCCCC3)c2)n1 ZINC000826277198 608280892 /nfs/dbraw/zinc/28/08/92/608280892.db2.gz MUUNCLNDANDICA-UHFFFAOYSA-N -1 3 365.441 3.289 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)c(NCc2ccnc(OC3CCCCC3)c2)n1 ZINC000826277198 608280893 /nfs/dbraw/zinc/28/08/93/608280893.db2.gz MUUNCLNDANDICA-UHFFFAOYSA-N -1 3 365.441 3.289 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cccc([C@@H]2CCCOC2)c1 ZINC000826278909 608293780 /nfs/dbraw/zinc/29/37/80/608293780.db2.gz YAOQFMDMFOPKIE-QGZVFWFLSA-N -1 3 363.421 3.321 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cccc([C@@H]2CCCOC2)c1 ZINC000826278909 608293782 /nfs/dbraw/zinc/29/37/82/608293782.db2.gz YAOQFMDMFOPKIE-QGZVFWFLSA-N -1 3 363.421 3.321 20 0 FGADHM CC(C)(C)OC(=O)CCCCNc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000824100480 608295379 /nfs/dbraw/zinc/29/53/79/608295379.db2.gz QWJFEPHZGRVJLL-UHFFFAOYSA-N -1 3 351.838 3.444 20 0 FGADHM CC(C)(C)OC(=O)CCCCNc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000824100480 608295381 /nfs/dbraw/zinc/29/53/81/608295381.db2.gz QWJFEPHZGRVJLL-UHFFFAOYSA-N -1 3 351.838 3.444 20 0 FGADHM c1ccc2c(c1)nc(N1CCC[C@H](C[C@@H]3CCOC3)C1)cc2-c1nnn[n-]1 ZINC000826522787 608297036 /nfs/dbraw/zinc/29/70/36/608297036.db2.gz OHNLHZCPBMSUOQ-CABCVRRESA-N -1 3 364.453 3.058 20 0 FGADHM c1ccc2c(c1)nc(N1CCC[C@H](C[C@@H]3CCOC3)C1)cc2-c1nn[n-]n1 ZINC000826522787 608297039 /nfs/dbraw/zinc/29/70/39/608297039.db2.gz OHNLHZCPBMSUOQ-CABCVRRESA-N -1 3 364.453 3.058 20 0 FGADHM c1c2c(nc(N[C@@H]3CCOC4(CCCCC4)C3)c1-c1nnn[n-]1)CCCC2 ZINC000826511922 608299179 /nfs/dbraw/zinc/29/91/79/608299179.db2.gz JMPGKMNUBCEXAC-OAHLLOKOSA-N -1 3 368.485 3.434 20 0 FGADHM c1c2c(nc(N[C@@H]3CCOC4(CCCCC4)C3)c1-c1nn[n-]n1)CCCC2 ZINC000826511922 608299180 /nfs/dbraw/zinc/29/91/80/608299180.db2.gz JMPGKMNUBCEXAC-OAHLLOKOSA-N -1 3 368.485 3.434 20 0 FGADHM O=C(C=Cc1ccco1)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000826403394 608305383 /nfs/dbraw/zinc/30/53/83/608305383.db2.gz QTBROOGGLRJVDY-VAWYXSNFSA-N -1 3 371.400 3.456 20 0 FGADHM O=C(C=Cc1ccco1)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000826403394 608305385 /nfs/dbraw/zinc/30/53/85/608305385.db2.gz QTBROOGGLRJVDY-VAWYXSNFSA-N -1 3 371.400 3.456 20 0 FGADHM Cc1cccnc1C(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000826307893 608305762 /nfs/dbraw/zinc/30/57/62/608305762.db2.gz AEQCEXIXPJZOKK-UHFFFAOYSA-N -1 3 370.416 3.167 20 0 FGADHM Cc1cccnc1C(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000826307893 608305765 /nfs/dbraw/zinc/30/57/65/608305765.db2.gz AEQCEXIXPJZOKK-UHFFFAOYSA-N -1 3 370.416 3.167 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1CSC[C@H]1OCCc2ccccc21 ZINC000826173660 608322381 /nfs/dbraw/zinc/32/23/81/608322381.db2.gz OUKGALUNUWEZJP-GOSISDBHSA-N -1 3 368.462 3.423 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1CSC[C@H]1OCCc2ccccc21 ZINC000826173660 608322383 /nfs/dbraw/zinc/32/23/83/608322383.db2.gz OUKGALUNUWEZJP-GOSISDBHSA-N -1 3 368.462 3.423 20 0 FGADHM CCN(C(=O)c1cc(C)c(OC)c(C)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825381133 608341931 /nfs/dbraw/zinc/34/19/31/608341931.db2.gz ZXMNXSKUVPITMH-UHFFFAOYSA-N -1 3 351.410 3.159 20 0 FGADHM CCN(C(=O)c1cc(C)c(OC)c(C)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825381133 608341933 /nfs/dbraw/zinc/34/19/33/608341933.db2.gz ZXMNXSKUVPITMH-UHFFFAOYSA-N -1 3 351.410 3.159 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)CCSc1ccccc1 ZINC000826171247 608343820 /nfs/dbraw/zinc/34/38/20/608343820.db2.gz HZPVQQIYGSAYFA-UHFFFAOYSA-N -1 3 370.434 3.101 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)CCSc1ccccc1 ZINC000826171247 608343822 /nfs/dbraw/zinc/34/38/22/608343822.db2.gz HZPVQQIYGSAYFA-UHFFFAOYSA-N -1 3 370.434 3.101 20 0 FGADHM CCN(C(=O)CCCCSC)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825371447 608346724 /nfs/dbraw/zinc/34/67/24/608346724.db2.gz GRXCYQRJKPIKES-UHFFFAOYSA-N -1 3 353.879 3.406 20 0 FGADHM CCN(C(=O)CCCCSC)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825371447 608346725 /nfs/dbraw/zinc/34/67/25/608346725.db2.gz GRXCYQRJKPIKES-UHFFFAOYSA-N -1 3 353.879 3.406 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1CN(C)[C@@H](C)c1cc(F)ccc1F ZINC000826167365 608354436 /nfs/dbraw/zinc/35/44/36/608354436.db2.gz ABWXCWQPDXOQCE-NSHDSACASA-N -1 3 359.380 3.347 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1CN(C)[C@@H](C)c1cc(F)ccc1F ZINC000826167365 608354437 /nfs/dbraw/zinc/35/44/37/608354437.db2.gz ABWXCWQPDXOQCE-NSHDSACASA-N -1 3 359.380 3.347 20 0 FGADHM CCCN(C)C(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000825301910 608356764 /nfs/dbraw/zinc/35/67/64/608356764.db2.gz SHMOXDNOXQMUGG-UHFFFAOYSA-N -1 3 350.426 3.085 20 0 FGADHM CCCN(C)C(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000825301910 608356765 /nfs/dbraw/zinc/35/67/65/608356765.db2.gz SHMOXDNOXQMUGG-UHFFFAOYSA-N -1 3 350.426 3.085 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1CN(C)[C@H](C)c1sc(C)nc1C ZINC000826167496 608360919 /nfs/dbraw/zinc/36/09/19/608360919.db2.gz GUYWNGZMBPSBLE-LLVKDONJSA-N -1 3 358.471 3.142 20 0 FGADHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(N[C@@H]3CCc4c3cccc4O)c2c1 ZINC000826264012 608381453 /nfs/dbraw/zinc/38/14/53/608381453.db2.gz ZKJQEVDPWUYEDT-QGZVFWFLSA-N -1 3 372.432 3.259 20 0 FGADHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(N[C@@H]3CCc4c3cccc4O)c2c1 ZINC000826264012 608381455 /nfs/dbraw/zinc/38/14/55/608381455.db2.gz ZKJQEVDPWUYEDT-QGZVFWFLSA-N -1 3 372.432 3.259 20 0 FGADHM C[C@@H]1CCCC[C@@H]1NC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824938159 608389452 /nfs/dbraw/zinc/38/94/52/608389452.db2.gz UCQSQUOZOQHFHZ-KDOFPFPSSA-N -1 3 366.469 3.244 20 0 FGADHM C[C@@H]1CCCC[C@@H]1NC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824938159 608389454 /nfs/dbraw/zinc/38/94/54/608389454.db2.gz UCQSQUOZOQHFHZ-KDOFPFPSSA-N -1 3 366.469 3.244 20 0 FGADHM COc1ccccc1OCCSCc1cccc(-c2nnn[n-]2)c1F ZINC000826220919 608403919 /nfs/dbraw/zinc/40/39/19/608403919.db2.gz GTBKBLIJNYWKGE-UHFFFAOYSA-N -1 3 360.414 3.327 20 0 FGADHM COc1ccccc1OCCSCc1cccc(-c2nn[n-]n2)c1F ZINC000826220919 608403921 /nfs/dbraw/zinc/40/39/21/608403921.db2.gz GTBKBLIJNYWKGE-UHFFFAOYSA-N -1 3 360.414 3.327 20 0 FGADHM Cc1cc2ccccc2n1CC(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826273263 608439876 /nfs/dbraw/zinc/43/98/76/608439876.db2.gz WEZLALPTSHQZGE-UHFFFAOYSA-N -1 3 365.368 3.012 20 0 FGADHM Cc1cc2ccccc2n1CC(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826273263 608439878 /nfs/dbraw/zinc/43/98/78/608439878.db2.gz WEZLALPTSHQZGE-UHFFFAOYSA-N -1 3 365.368 3.012 20 0 FGADHM Cc1[nH]c2ccccc2c1CC(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826233465 608441390 /nfs/dbraw/zinc/44/13/90/608441390.db2.gz IGLBWWIQPIABQD-UHFFFAOYSA-N -1 3 365.368 3.081 20 0 FGADHM Cc1[nH]c2ccccc2c1CC(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826233465 608441392 /nfs/dbraw/zinc/44/13/92/608441392.db2.gz IGLBWWIQPIABQD-UHFFFAOYSA-N -1 3 365.368 3.081 20 0 FGADHM O=C(CCCOc1ccc(F)cc1)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826406137 608441649 /nfs/dbraw/zinc/44/16/49/608441649.db2.gz JRSQRLVKEHZDKP-UHFFFAOYSA-N -1 3 374.347 3.047 20 0 FGADHM O=C(CCCOc1ccc(F)cc1)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826406137 608441651 /nfs/dbraw/zinc/44/16/51/608441651.db2.gz JRSQRLVKEHZDKP-UHFFFAOYSA-N -1 3 374.347 3.047 20 0 FGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000826466356 608448964 /nfs/dbraw/zinc/44/89/64/608448964.db2.gz YNEGXEWAUHLNLH-NWDGAFQWSA-N -1 3 374.322 3.131 20 0 FGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000826466356 608448966 /nfs/dbraw/zinc/44/89/66/608448966.db2.gz YNEGXEWAUHLNLH-NWDGAFQWSA-N -1 3 374.322 3.131 20 0 FGADHM c1sc(C2CC2)nc1CN1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000823867716 608460917 /nfs/dbraw/zinc/46/09/17/608460917.db2.gz DNINDJWOIYXBML-UHFFFAOYSA-N -1 3 364.478 3.490 20 0 FGADHM c1sc(C2CC2)nc1CN1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000823867716 608460919 /nfs/dbraw/zinc/46/09/19/608460919.db2.gz DNINDJWOIYXBML-UHFFFAOYSA-N -1 3 364.478 3.490 20 0 FGADHM CCO[C@H](C)c1nc(CN[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000825575937 608488897 /nfs/dbraw/zinc/48/88/97/608488897.db2.gz AJDMOWXNRXQAFU-NWDGAFQWSA-N -1 3 358.471 3.272 20 0 FGADHM CC(C)(C)c1nnc(CN[C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)s1 ZINC000824141969 608522644 /nfs/dbraw/zinc/52/26/44/608522644.db2.gz PNUHZMNCKRAKGG-CQSZACIVSA-N -1 3 369.498 3.183 20 0 FGADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)Nc1ccc(-c2ccc[nH]2)cc1 ZINC000826442937 608547781 /nfs/dbraw/zinc/54/77/81/608547781.db2.gz RDOUTZLUSLXSJW-UHFFFAOYSA-N -1 3 359.393 3.184 20 0 FGADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)Nc1ccc(-c2ccc[nH]2)cc1 ZINC000826442937 608547783 /nfs/dbraw/zinc/54/77/83/608547783.db2.gz RDOUTZLUSLXSJW-UHFFFAOYSA-N -1 3 359.393 3.184 20 0 FGADHM CCc1csc(NC2CCC(Oc3ccc(-c4nnn[n-]4)cn3)CC2)n1 ZINC000825739721 608558141 /nfs/dbraw/zinc/55/81/41/608558141.db2.gz IOUJJVBPXRHSKJ-UHFFFAOYSA-N -1 3 371.470 3.083 20 0 FGADHM CCc1csc(NC2CCC(Oc3ccc(-c4nn[n-]n4)cn3)CC2)n1 ZINC000825739721 608558143 /nfs/dbraw/zinc/55/81/43/608558143.db2.gz IOUJJVBPXRHSKJ-UHFFFAOYSA-N -1 3 371.470 3.083 20 0 FGADHM O=C(c1ccc(Cl)c(-c2nnn[n-]2)c1)N(Cc1ccc(F)cc1)C1CC1 ZINC000826472265 608574832 /nfs/dbraw/zinc/57/48/32/608574832.db2.gz FDEVMYWTPCMUKP-UHFFFAOYSA-N -1 3 371.803 3.464 20 0 FGADHM O=C(c1ccc(Cl)c(-c2nn[n-]n2)c1)N(Cc1ccc(F)cc1)C1CC1 ZINC000826472265 608574834 /nfs/dbraw/zinc/57/48/34/608574834.db2.gz FDEVMYWTPCMUKP-UHFFFAOYSA-N -1 3 371.803 3.464 20 0 FGADHM CSc1ccc(C)c(N[C@@H](C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826230135 608581477 /nfs/dbraw/zinc/58/14/77/608581477.db2.gz FWDRSQXPTQHNNQ-LBPRGKRZSA-N -1 3 368.466 3.336 20 0 FGADHM CSc1ccc(C)c(N[C@@H](C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826230135 608581479 /nfs/dbraw/zinc/58/14/79/608581479.db2.gz FWDRSQXPTQHNNQ-LBPRGKRZSA-N -1 3 368.466 3.336 20 0 FGADHM Clc1ccc(CN2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)o1 ZINC000826351896 608603279 /nfs/dbraw/zinc/60/32/79/608603279.db2.gz GBMQMRILPCZRID-UHFFFAOYSA-N -1 3 359.817 3.157 20 0 FGADHM Clc1ccc(CN2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)o1 ZINC000826351896 608603281 /nfs/dbraw/zinc/60/32/81/608603281.db2.gz GBMQMRILPCZRID-UHFFFAOYSA-N -1 3 359.817 3.157 20 0 FGADHM CC(C)(CNC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)c1ccncc1 ZINC000824157525 608608060 /nfs/dbraw/zinc/60/80/60/608608060.db2.gz IRVAWUKKIBZCSE-UHFFFAOYSA-N -1 3 371.832 3.014 20 0 FGADHM CC(C)(CNC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)c1ccncc1 ZINC000824157525 608608062 /nfs/dbraw/zinc/60/80/62/608608062.db2.gz IRVAWUKKIBZCSE-UHFFFAOYSA-N -1 3 371.832 3.014 20 0 FGADHM CC(C)Oc1ccc(NC(=O)N2CCC[C@@H](C)[C@H]2C)cc1-c1nnn[n-]1 ZINC000824329238 608608250 /nfs/dbraw/zinc/60/82/50/608608250.db2.gz MROVOTFWHIECCE-CHWSQXEVSA-N -1 3 358.446 3.306 20 0 FGADHM CC(C)Oc1ccc(NC(=O)N2CCC[C@@H](C)[C@H]2C)cc1-c1nn[n-]n1 ZINC000824329238 608608251 /nfs/dbraw/zinc/60/82/51/608608251.db2.gz MROVOTFWHIECCE-CHWSQXEVSA-N -1 3 358.446 3.306 20 0 FGADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Oc1c(F)cccc1Cl ZINC000824753583 608671443 /nfs/dbraw/zinc/67/14/43/608671443.db2.gz FHDKZSQUOOTHPG-SECBINFHSA-N -1 3 362.748 3.032 20 0 FGADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Oc1c(F)cccc1Cl ZINC000824753583 608671445 /nfs/dbraw/zinc/67/14/45/608671445.db2.gz FHDKZSQUOOTHPG-SECBINFHSA-N -1 3 362.748 3.032 20 0 FGADHM Cc1ccccc1[C@@H]1CN(Cc2cc(-c3nnn[n-]3)cs2)[C@@H](C)CO1 ZINC000826307239 608720923 /nfs/dbraw/zinc/72/09/23/608720923.db2.gz ZPWYLLZWABQHOZ-GUYCJALGSA-N -1 3 355.467 3.199 20 0 FGADHM Cc1ccccc1[C@@H]1CN(Cc2cc(-c3nn[n-]n3)cs2)[C@@H](C)CO1 ZINC000826307239 608720925 /nfs/dbraw/zinc/72/09/25/608720925.db2.gz ZPWYLLZWABQHOZ-GUYCJALGSA-N -1 3 355.467 3.199 20 0 FGADHM CCc1ccc(NCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)cc1C ZINC000825718293 608751654 /nfs/dbraw/zinc/75/16/54/608751654.db2.gz YYRALHQCJZLKNF-UHFFFAOYSA-N -1 3 361.409 3.400 20 0 FGADHM CCc1ccc(NCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)cc1C ZINC000825718293 608751659 /nfs/dbraw/zinc/75/16/59/608751659.db2.gz YYRALHQCJZLKNF-UHFFFAOYSA-N -1 3 361.409 3.400 20 0 FGADHM CCc1ccc(N[C@@H](C(=O)OC)c2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000825717778 608753538 /nfs/dbraw/zinc/75/35/38/608753538.db2.gz PQRMCCITHPRQJT-QGZVFWFLSA-N -1 3 351.410 3.064 20 0 FGADHM CCc1ccc(N[C@@H](C(=O)OC)c2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000825717778 608753540 /nfs/dbraw/zinc/75/35/40/608753540.db2.gz PQRMCCITHPRQJT-QGZVFWFLSA-N -1 3 351.410 3.064 20 0 FGADHM COc1ccc(Br)c(CNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000393381689 608867596 /nfs/dbraw/zinc/86/75/96/608867596.db2.gz HJHFKZUWEIIQDK-UHFFFAOYSA-N -1 3 360.215 3.250 20 0 FGADHM COc1ccc(Br)c(CNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000393381689 608867597 /nfs/dbraw/zinc/86/75/97/608867597.db2.gz HJHFKZUWEIIQDK-UHFFFAOYSA-N -1 3 360.215 3.250 20 0 FGADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)N1CCC[C@@H]1/C=C/c1ccccc1 ZINC000826422181 609138274 /nfs/dbraw/zinc/13/82/74/609138274.db2.gz PDFUSBWGVFSRTB-YFPIXMDGSA-N -1 3 359.433 3.114 20 0 FGADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)N1CCC[C@@H]1/C=C/c1ccccc1 ZINC000826422181 609138275 /nfs/dbraw/zinc/13/82/75/609138275.db2.gz PDFUSBWGVFSRTB-YFPIXMDGSA-N -1 3 359.433 3.114 20 0 FGADHM CC[C@@H](C)Oc1cc(C(=O)Nc2sc(C)c(C)c2-c2nnn[n-]2)ccn1 ZINC000825076676 609144618 /nfs/dbraw/zinc/14/46/18/609144618.db2.gz XMJWWVVKRLFWTB-SECBINFHSA-N -1 3 372.454 3.370 20 0 FGADHM CC[C@@H](C)Oc1cc(C(=O)Nc2sc(C)c(C)c2-c2nn[n-]n2)ccn1 ZINC000825076676 609144620 /nfs/dbraw/zinc/14/46/20/609144620.db2.gz XMJWWVVKRLFWTB-SECBINFHSA-N -1 3 372.454 3.370 20 0 FGADHM CSc1ccccc1CC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826230655 609148993 /nfs/dbraw/zinc/14/89/93/609148993.db2.gz DFSQVADGOWTCSI-UHFFFAOYSA-N -1 3 359.842 3.423 20 0 FGADHM CSc1ccccc1CC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826230655 609148995 /nfs/dbraw/zinc/14/89/95/609148995.db2.gz DFSQVADGOWTCSI-UHFFFAOYSA-N -1 3 359.842 3.423 20 0 FGADHM c1c2c(nn1C1CCCC1)[C@H](Nc1ccc(-c3nnn[n-]3)cn1)CCC2 ZINC000826517111 609150366 /nfs/dbraw/zinc/15/03/66/609150366.db2.gz QQNCTJFDMGKKQD-OAHLLOKOSA-N -1 3 350.430 3.063 20 0 FGADHM c1c2c(nn1C1CCCC1)[C@H](Nc1ccc(-c3nn[n-]n3)cn1)CCC2 ZINC000826517111 609150368 /nfs/dbraw/zinc/15/03/68/609150368.db2.gz QQNCTJFDMGKKQD-OAHLLOKOSA-N -1 3 350.430 3.063 20 0 FGADHM C[C@@H](NCc1nnc(C(C)(C)C)s1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824635205 609153475 /nfs/dbraw/zinc/15/34/75/609153475.db2.gz ZOLXSGKMNGDBNZ-SECBINFHSA-N -1 3 361.450 3.006 20 0 FGADHM C[C@@H](NCc1nnc(C(C)(C)C)s1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824635205 609153476 /nfs/dbraw/zinc/15/34/76/609153476.db2.gz ZOLXSGKMNGDBNZ-SECBINFHSA-N -1 3 361.450 3.006 20 0 FGADHM CCNc1ccc(-c2nn[n-]n2)cc1NCc1csc([C@H](C)OC)n1 ZINC000825481338 609178152 /nfs/dbraw/zinc/17/81/52/609178152.db2.gz XFXUJARREISZON-JTQLQIEISA-N -1 3 359.459 3.075 20 0 FGADHM CCCCCN(CCCOC)C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825271040 609180372 /nfs/dbraw/zinc/18/03/72/609180372.db2.gz FVRNAXDCFKWCIH-OAHLLOKOSA-N -1 3 374.489 3.166 20 0 FGADHM CCCCCN(CCCOC)C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825271040 609180374 /nfs/dbraw/zinc/18/03/74/609180374.db2.gz FVRNAXDCFKWCIH-OAHLLOKOSA-N -1 3 374.489 3.166 20 0 FGADHM O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1)c1cccc(O)c1 ZINC000826455584 609198783 /nfs/dbraw/zinc/19/87/83/609198783.db2.gz VFPQMZTVMJXMRV-UHFFFAOYSA-N -1 3 374.360 3.012 20 0 FGADHM CC1(C)CC(NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)CC(C)(C)C1 ZINC000824791301 609246968 /nfs/dbraw/zinc/24/69/68/609246968.db2.gz YKLALPIKXBIUPA-UHFFFAOYSA-N -1 3 363.412 3.480 20 0 FGADHM CC1(C)CC(NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CC(C)(C)C1 ZINC000824791301 609246969 /nfs/dbraw/zinc/24/69/69/609246969.db2.gz YKLALPIKXBIUPA-UHFFFAOYSA-N -1 3 363.412 3.480 20 0 FGADHM Cc1cc(C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)nn1[C@@H](C)C1CC1 ZINC000826260938 609256121 /nfs/dbraw/zinc/25/61/21/609256121.db2.gz KKNLDYKWKXXVSV-STQMWFEESA-N -1 3 366.425 3.261 20 0 FGADHM Cc1cc(C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)nn1[C@@H](C)C1CC1 ZINC000826260938 609256123 /nfs/dbraw/zinc/25/61/23/609256123.db2.gz KKNLDYKWKXXVSV-STQMWFEESA-N -1 3 366.425 3.261 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C=Cc1ccc(O)cc1 ZINC000825313422 609267808 /nfs/dbraw/zinc/26/78/08/609267808.db2.gz FHMMPYSHHOKENJ-KPKJPENVSA-N -1 3 363.421 3.024 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C=Cc1ccc(O)cc1 ZINC000825313422 609267809 /nfs/dbraw/zinc/26/78/09/609267809.db2.gz FHMMPYSHHOKENJ-KPKJPENVSA-N -1 3 363.421 3.024 20 0 FGADHM Cc1ccc(N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1N1CCOC1=O ZINC000826291485 609270840 /nfs/dbraw/zinc/27/08/40/609270840.db2.gz IUFZQLUJZQDPSU-CYBMUJFWSA-N -1 3 364.409 3.305 20 0 FGADHM Cc1ccc(N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1N1CCOC1=O ZINC000826291485 609270841 /nfs/dbraw/zinc/27/08/41/609270841.db2.gz IUFZQLUJZQDPSU-CYBMUJFWSA-N -1 3 364.409 3.305 20 0 FGADHM Cc1cc(C)cc(CNc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)c1 ZINC000826264326 609277850 /nfs/dbraw/zinc/27/78/50/609277850.db2.gz KAXHBSARGDMBAX-UHFFFAOYSA-N -1 3 363.400 3.420 20 0 FGADHM COc1ccc(CNC(=O)c2cc(C)c(C)cc2Cl)cc1-c1nnn[n-]1 ZINC000826200995 609282558 /nfs/dbraw/zinc/28/25/58/609282558.db2.gz SNGNRYONMPUGFT-UHFFFAOYSA-N -1 3 371.828 3.076 20 0 FGADHM COc1ccc(CNC(=O)c2cc(C)c(C)cc2Cl)cc1-c1nn[n-]n1 ZINC000826200995 609282560 /nfs/dbraw/zinc/28/25/60/609282560.db2.gz SNGNRYONMPUGFT-UHFFFAOYSA-N -1 3 371.828 3.076 20 0 FGADHM Cc1c(C(=O)N(C)c2ccccc2-c2nnn[n-]2)cnn1C1CCCCC1 ZINC000826234010 609284362 /nfs/dbraw/zinc/28/43/62/609284362.db2.gz DJVOUAWHHWPCEO-UHFFFAOYSA-N -1 3 365.441 3.153 20 0 FGADHM Cc1c(C(=O)N(C)c2ccccc2-c2nn[n-]n2)cnn1C1CCCCC1 ZINC000826234010 609284363 /nfs/dbraw/zinc/28/43/63/609284363.db2.gz DJVOUAWHHWPCEO-UHFFFAOYSA-N -1 3 365.441 3.153 20 0 FGADHM C[C@H](OC(=O)CCc1ccc(-c2nnn[n-]2)cc1)c1nc(C2CC2)cs1 ZINC000824716263 609285744 /nfs/dbraw/zinc/28/57/44/609285744.db2.gz XMPYGUNARUVKKC-NSHDSACASA-N -1 3 369.450 3.438 20 0 FGADHM C[C@H](OC(=O)CCc1ccc(-c2nn[n-]n2)cc1)c1nc(C2CC2)cs1 ZINC000824716263 609285746 /nfs/dbraw/zinc/28/57/46/609285746.db2.gz XMPYGUNARUVKKC-NSHDSACASA-N -1 3 369.450 3.438 20 0 FGADHM CCC(CC)[C@@H]1C[C@@H](NC(=S)Nc2ccccc2-c2nnn[n-]2)CCO1 ZINC000825106801 609310891 /nfs/dbraw/zinc/31/08/91/609310891.db2.gz IRZIPGMEESWOOP-BBRMVZONSA-N -1 3 374.514 3.137 20 0 FGADHM CCC(CC)[C@@H]1C[C@@H](NC(=S)Nc2ccccc2-c2nn[n-]n2)CCO1 ZINC000825106801 609310893 /nfs/dbraw/zinc/31/08/93/609310893.db2.gz IRZIPGMEESWOOP-BBRMVZONSA-N -1 3 374.514 3.137 20 0 FGADHM Cc1nccc(NC(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)n1 ZINC000826329996 609321094 /nfs/dbraw/zinc/32/10/94/609321094.db2.gz ARGNQSUKOBGETG-UHFFFAOYSA-N -1 3 373.376 3.010 20 0 FGADHM Cc1nccc(NC(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)n1 ZINC000826329996 609321095 /nfs/dbraw/zinc/32/10/95/609321095.db2.gz ARGNQSUKOBGETG-UHFFFAOYSA-N -1 3 373.376 3.010 20 0 FGADHM CN(C[C@H]1CCCC[C@H]1O)c1c(-c2nnn[n-]2)cnc2ccc(Cl)cc21 ZINC000825908355 609323785 /nfs/dbraw/zinc/32/37/85/609323785.db2.gz GVSSAAIQRJQSEW-BDJLRTHQSA-N -1 3 372.860 3.056 20 0 FGADHM CN(C[C@H]1CCCC[C@H]1O)c1c(-c2nn[n-]n2)cnc2ccc(Cl)cc21 ZINC000825908355 609323786 /nfs/dbraw/zinc/32/37/86/609323786.db2.gz GVSSAAIQRJQSEW-BDJLRTHQSA-N -1 3 372.860 3.056 20 0 FGADHM CCC(=O)Nc1cccc(CN[C@H](C)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000825034386 609328100 /nfs/dbraw/zinc/32/81/00/609328100.db2.gz JHMTWAKOZPTBCC-GFCCVEGCSA-N -1 3 368.416 3.205 20 0 FGADHM COc1cccc2c1OCC[C@H]2N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1F ZINC000826217944 609342082 /nfs/dbraw/zinc/34/20/82/609342082.db2.gz JATNRXZMWRXNNY-MEDUHNTESA-N -1 3 369.400 3.189 20 0 FGADHM C[C@@H](NCc1nnc(C(C)(C)C)s1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824634239 609343907 /nfs/dbraw/zinc/34/39/07/609343907.db2.gz UDZFHWUTSZPLBB-SECBINFHSA-N -1 3 361.450 3.006 20 0 FGADHM C[C@@H](NCc1nnc(C(C)(C)C)s1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824634239 609343908 /nfs/dbraw/zinc/34/39/08/609343908.db2.gz UDZFHWUTSZPLBB-SECBINFHSA-N -1 3 361.450 3.006 20 0 FGADHM CC(=O)Nc1ccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2F)cc1C ZINC000823999474 609348297 /nfs/dbraw/zinc/34/82/97/609348297.db2.gz BSRVGPDHTDVZRK-NSHDSACASA-N -1 3 354.389 3.446 20 0 FGADHM CC(=O)Nc1ccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2F)cc1C ZINC000823999474 609348299 /nfs/dbraw/zinc/34/82/99/609348299.db2.gz BSRVGPDHTDVZRK-NSHDSACASA-N -1 3 354.389 3.446 20 0 FGADHM C[C@@H](c1cccnc1)N(C)Cc1ccc(-c2nnn[n-]2)cc1Br ZINC000824770391 609366381 /nfs/dbraw/zinc/36/63/81/609366381.db2.gz JVXADKKEMRULBN-NSHDSACASA-N -1 3 373.258 3.217 20 0 FGADHM C[C@@H](c1cccnc1)N(C)Cc1ccc(-c2nn[n-]n2)cc1Br ZINC000824770391 609366384 /nfs/dbraw/zinc/36/63/84/609366384.db2.gz JVXADKKEMRULBN-NSHDSACASA-N -1 3 373.258 3.217 20 0 FGADHM CC(C)[C@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1ccc(Cl)cc1F ZINC000824192924 609374659 /nfs/dbraw/zinc/37/46/59/609374659.db2.gz OWPVRJZKCXIPKN-AWEZNQCLSA-N -1 3 362.796 3.114 20 0 FGADHM CC(C)[C@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1ccc(Cl)cc1F ZINC000824192924 609374662 /nfs/dbraw/zinc/37/46/62/609374662.db2.gz OWPVRJZKCXIPKN-AWEZNQCLSA-N -1 3 362.796 3.114 20 0 FGADHM CCC(CC)[C@H]1C[C@@H](NC(=O)Nc2cccc(-c3nnn[n-]3)c2C)CCO1 ZINC000825107486 609382914 /nfs/dbraw/zinc/38/29/14/609382914.db2.gz PGVMGIMSZCLPGE-WMLDXEAASA-N -1 3 372.473 3.280 20 0 FGADHM CCC(CC)[C@H]1C[C@@H](NC(=O)Nc2cccc(-c3nn[n-]n3)c2C)CCO1 ZINC000825107486 609382916 /nfs/dbraw/zinc/38/29/16/609382916.db2.gz PGVMGIMSZCLPGE-WMLDXEAASA-N -1 3 372.473 3.280 20 0 FGADHM CCC(CC)[C@@H]1C[C@@H](NC(=O)Nc2cccc(-c3nnn[n-]3)c2C)CCO1 ZINC000825107488 609383262 /nfs/dbraw/zinc/38/32/62/609383262.db2.gz PGVMGIMSZCLPGE-YOEHRIQHSA-N -1 3 372.473 3.280 20 0 FGADHM CCC(CC)[C@@H]1C[C@@H](NC(=O)Nc2cccc(-c3nn[n-]n3)c2C)CCO1 ZINC000825107488 609383264 /nfs/dbraw/zinc/38/32/64/609383264.db2.gz PGVMGIMSZCLPGE-YOEHRIQHSA-N -1 3 372.473 3.280 20 0 FGADHM CC(C)(C)C[C@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1)C(F)(F)F ZINC000824087262 609436803 /nfs/dbraw/zinc/43/68/03/609436803.db2.gz RUSKJCYVGLHOGD-LBPRGKRZSA-N -1 3 370.379 3.033 20 0 FGADHM CC(C)(C)C[C@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1)C(F)(F)F ZINC000824087262 609436806 /nfs/dbraw/zinc/43/68/06/609436806.db2.gz RUSKJCYVGLHOGD-LBPRGKRZSA-N -1 3 370.379 3.033 20 0 FGADHM Cc1cc(Cl)ccc1O[C@@H](C)C(=O)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000826267423 609450727 /nfs/dbraw/zinc/45/07/27/609450727.db2.gz FDWREYSPLXIOCO-LBPRGKRZSA-N -1 3 372.812 3.339 20 0 FGADHM Cc1cc(Cl)ccc1O[C@@H](C)C(=O)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000826267423 609450730 /nfs/dbraw/zinc/45/07/30/609450730.db2.gz FDWREYSPLXIOCO-LBPRGKRZSA-N -1 3 372.812 3.339 20 0 FGADHM CCOC(=O)/C=C/CSc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000825499777 609452309 /nfs/dbraw/zinc/45/23/09/609452309.db2.gz UCIGXSROIISRIO-ONEGZZNKSA-N -1 3 358.345 3.097 20 0 FGADHM CCOC(=O)/C=C/CSc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000825499777 609452312 /nfs/dbraw/zinc/45/23/12/609452312.db2.gz UCIGXSROIISRIO-ONEGZZNKSA-N -1 3 358.345 3.097 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)N2CC=CCC2)cc1 ZINC000826255237 609454489 /nfs/dbraw/zinc/45/44/89/609454489.db2.gz PZGROKBCFQAFHO-UHFFFAOYSA-N -1 3 361.405 3.370 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)N2CC=CCC2)cc1 ZINC000826255237 609454492 /nfs/dbraw/zinc/45/44/92/609454492.db2.gz PZGROKBCFQAFHO-UHFFFAOYSA-N -1 3 361.405 3.370 20 0 FGADHM CCc1ccc(-c2csc(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)n2)s1 ZINC000825700816 609458514 /nfs/dbraw/zinc/45/85/14/609458514.db2.gz UGLBKCMIAANFHH-UHFFFAOYSA-N -1 3 371.451 3.195 20 0 FGADHM CCc1ccc(-c2csc(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)n2)s1 ZINC000825700816 609458516 /nfs/dbraw/zinc/45/85/16/609458516.db2.gz UGLBKCMIAANFHH-UHFFFAOYSA-N -1 3 371.451 3.195 20 0 FGADHM COc1ccc2ccccc2c1CNc1nc2ccccn2c1-c1nnn[n-]1 ZINC000826214045 609459492 /nfs/dbraw/zinc/45/94/92/609459492.db2.gz XUTMLCRCMBCJAC-UHFFFAOYSA-N -1 3 371.404 3.288 20 0 FGADHM COc1ccc2ccccc2c1CNc1nc2ccccn2c1-c1nn[n-]n1 ZINC000826214045 609459495 /nfs/dbraw/zinc/45/94/95/609459495.db2.gz XUTMLCRCMBCJAC-UHFFFAOYSA-N -1 3 371.404 3.288 20 0 FGADHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N(Cc1ccco1)c1cccc(Cl)c1 ZINC000826468780 609460346 /nfs/dbraw/zinc/46/03/46/609460346.db2.gz HOABBHUDGMPPMN-UHFFFAOYSA-N -1 3 368.784 3.288 20 0 FGADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N(Cc1ccco1)c1cccc(Cl)c1 ZINC000826468780 609460348 /nfs/dbraw/zinc/46/03/48/609460348.db2.gz HOABBHUDGMPPMN-UHFFFAOYSA-N -1 3 368.784 3.288 20 0 FGADHM Cc1ccncc1C=CC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000826315377 609479352 /nfs/dbraw/zinc/47/93/52/609479352.db2.gz HVUPYQQCNBBRNL-HJWRWDBZSA-N -1 3 362.437 3.021 20 0 FGADHM Cc1ccncc1C=CC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000826315377 609479355 /nfs/dbraw/zinc/47/93/55/609479355.db2.gz HVUPYQQCNBBRNL-HJWRWDBZSA-N -1 3 362.437 3.021 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NCc1nc2cc(Cl)ccc2n1C ZINC000826278490 609479724 /nfs/dbraw/zinc/47/97/24/609479724.db2.gz FWVRGAPUGIQVHD-UHFFFAOYSA-N -1 3 353.817 3.327 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NCc1nc2cc(Cl)ccc2n1C ZINC000826278490 609479725 /nfs/dbraw/zinc/47/97/25/609479725.db2.gz FWVRGAPUGIQVHD-UHFFFAOYSA-N -1 3 353.817 3.327 20 0 FGADHM CCOC(=O)Nc1ccc(NCc2ccc(C)s2)cc1-c1nnn[n-]1 ZINC000825552723 609487500 /nfs/dbraw/zinc/48/75/00/609487500.db2.gz DCNJADHQBNYPDM-UHFFFAOYSA-N -1 3 358.427 3.417 20 0 FGADHM CCOC(=O)Nc1ccc(NCc2ccc(C)s2)cc1-c1nn[n-]n1 ZINC000825552723 609487502 /nfs/dbraw/zinc/48/75/02/609487502.db2.gz DCNJADHQBNYPDM-UHFFFAOYSA-N -1 3 358.427 3.417 20 0 FGADHM CCOC(=O)Nc1ccc(NCc2ccccc2C)cc1-c1nnn[n-]1 ZINC000825553549 609488360 /nfs/dbraw/zinc/48/83/60/609488360.db2.gz UALHFZAQBJBQST-UHFFFAOYSA-N -1 3 352.398 3.356 20 0 FGADHM CCOC(=O)Nc1ccc(NCc2ccccc2C)cc1-c1nn[n-]n1 ZINC000825553549 609488362 /nfs/dbraw/zinc/48/83/62/609488362.db2.gz UALHFZAQBJBQST-UHFFFAOYSA-N -1 3 352.398 3.356 20 0 FGADHM CC(C)Oc1ccc(NCc2cn(C)nc2C(C)(C)C)cc1-c1nnn[n-]1 ZINC000824328799 609491566 /nfs/dbraw/zinc/49/15/66/609491566.db2.gz AVKGTTRQRVPOJH-UHFFFAOYSA-N -1 3 369.473 3.297 20 0 FGADHM CC(C)Oc1ccc(NCc2cn(C)nc2C(C)(C)C)cc1-c1nn[n-]n1 ZINC000824328799 609491568 /nfs/dbraw/zinc/49/15/68/609491568.db2.gz AVKGTTRQRVPOJH-UHFFFAOYSA-N -1 3 369.473 3.297 20 0 FGADHM CO[C@@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2)c1ccccc1 ZINC000826166598 609506540 /nfs/dbraw/zinc/50/65/40/609506540.db2.gz SEBVJZMJSNDCDM-OAHLLOKOSA-N -1 3 369.450 3.133 20 0 FGADHM CO[C@@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2)c1ccccc1 ZINC000826166598 609506541 /nfs/dbraw/zinc/50/65/41/609506541.db2.gz SEBVJZMJSNDCDM-OAHLLOKOSA-N -1 3 369.450 3.133 20 0 FGADHM C[C@H]1CCC[C@H]1C(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000824925458 609509576 /nfs/dbraw/zinc/50/95/76/609509576.db2.gz CWKIRBKZICKPOF-GXFFZTMASA-N -1 3 354.439 3.365 20 0 FGADHM C[C@H]1CCC[C@H]1C(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000824925458 609509577 /nfs/dbraw/zinc/50/95/77/609509577.db2.gz CWKIRBKZICKPOF-GXFFZTMASA-N -1 3 354.439 3.365 20 0 FGADHM C[C@@H]1CCC[C@@H]1C(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000824929156 609512126 /nfs/dbraw/zinc/51/21/26/609512126.db2.gz WSCCDXCRJKGEJX-PWSUYJOCSA-N -1 3 371.832 3.081 20 0 FGADHM C[C@@H]1CCC[C@@H]1C(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000824929156 609512128 /nfs/dbraw/zinc/51/21/28/609512128.db2.gz WSCCDXCRJKGEJX-PWSUYJOCSA-N -1 3 371.832 3.081 20 0 FGADHM C[C@@H]1CC(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)C[C@@H](C)C1 ZINC000824875350 609518519 /nfs/dbraw/zinc/51/85/19/609518519.db2.gz LXLVHSCWQXSAJJ-KBPBESRZSA-N -1 3 353.470 3.430 20 0 FGADHM C[C@@H]1CC(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)C[C@@H](C)C1 ZINC000824875350 609518522 /nfs/dbraw/zinc/51/85/22/609518522.db2.gz LXLVHSCWQXSAJJ-KBPBESRZSA-N -1 3 353.470 3.430 20 0 FGADHM Cc1c(Cl)cnc(N[C@@H]2COc3c2cccc3Cl)c1-c1nnn[n-]1 ZINC000826239225 609575946 /nfs/dbraw/zinc/57/59/46/609575946.db2.gz ABINISKMMAXCRZ-LLVKDONJSA-N -1 3 363.208 3.423 20 0 FGADHM Cc1c(Cl)cnc(N[C@@H]2COc3c2cccc3Cl)c1-c1nn[n-]n1 ZINC000826239225 609575947 /nfs/dbraw/zinc/57/59/47/609575947.db2.gz ABINISKMMAXCRZ-LLVKDONJSA-N -1 3 363.208 3.423 20 0 FGADHM COc1cccc(C=C2CCN(c3nccc(C)c3-c3nnn[n-]3)CC2)c1 ZINC000826215564 609576584 /nfs/dbraw/zinc/57/65/84/609576584.db2.gz SLEIJGJRJUUUCX-UHFFFAOYSA-N -1 3 362.437 3.263 20 0 FGADHM COc1cccc(C=C2CCN(c3nccc(C)c3-c3nn[n-]n3)CC2)c1 ZINC000826215564 609576587 /nfs/dbraw/zinc/57/65/87/609576587.db2.gz SLEIJGJRJUUUCX-UHFFFAOYSA-N -1 3 362.437 3.263 20 0 FGADHM C[C@H]1C[C@H](C(=O)Nc2ccnn2-c2ccc(-c3nn[n-]n3)cc2)C[C@@H](C)C1 ZINC000824875721 609578784 /nfs/dbraw/zinc/57/87/84/609578784.db2.gz NZXYDTJZUVOPLA-NHAGDIPZSA-N -1 3 365.441 3.063 20 0 FGADHM CS[C@H](CNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)C(C)(C)C ZINC000826225570 609590806 /nfs/dbraw/zinc/59/08/06/609590806.db2.gz FHFSVIZCBUQTDG-SNVBAGLBSA-N -1 3 360.409 3.470 20 0 FGADHM CS[C@H](CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)C(C)(C)C ZINC000826225570 609590809 /nfs/dbraw/zinc/59/08/09/609590809.db2.gz FHFSVIZCBUQTDG-SNVBAGLBSA-N -1 3 360.409 3.470 20 0 FGADHM Cc1cc(NCc2ccc(-c3nnn[n-]3)o2)cnc1N1CCCC[C@@H]1C ZINC000826271061 609596488 /nfs/dbraw/zinc/59/64/88/609596488.db2.gz ANUKPZPUOWKVEX-ZDUSSCGKSA-N -1 3 353.430 3.154 20 0 FGADHM Cc1cc(NCc2ccc(-c3nn[n-]n3)o2)cnc1N1CCCC[C@@H]1C ZINC000826271061 609596490 /nfs/dbraw/zinc/59/64/90/609596490.db2.gz ANUKPZPUOWKVEX-ZDUSSCGKSA-N -1 3 353.430 3.154 20 0 FGADHM CCOCCC1(C(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)CCC1 ZINC000825590436 609617104 /nfs/dbraw/zinc/61/71/04/609617104.db2.gz UVJQYTFUBCWTFE-UHFFFAOYSA-N -1 3 364.833 3.160 20 0 FGADHM CCOCCC1(C(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)CCC1 ZINC000825590436 609617106 /nfs/dbraw/zinc/61/71/06/609617106.db2.gz UVJQYTFUBCWTFE-UHFFFAOYSA-N -1 3 364.833 3.160 20 0 FGADHM COc1ccccc1CCC(=O)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826219792 609618665 /nfs/dbraw/zinc/61/86/65/609618665.db2.gz QOEATAMKFOCBPM-UHFFFAOYSA-N -1 3 372.812 3.205 20 0 FGADHM COc1ccccc1CCC(=O)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826219792 609618666 /nfs/dbraw/zinc/61/86/66/609618666.db2.gz QOEATAMKFOCBPM-UHFFFAOYSA-N -1 3 372.812 3.205 20 0 FGADHM CC(C)c1ncc(C(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)s1 ZINC000824364912 609619578 /nfs/dbraw/zinc/61/95/78/609619578.db2.gz VPYKGOGQLVNSMW-UHFFFAOYSA-N -1 3 363.830 3.457 20 0 FGADHM CC(C)c1ncc(C(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)s1 ZINC000824364912 609619580 /nfs/dbraw/zinc/61/95/80/609619580.db2.gz VPYKGOGQLVNSMW-UHFFFAOYSA-N -1 3 363.830 3.457 20 0 FGADHM CC[C@@H](C)n1nc(C(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)cc1C ZINC000825083041 609620319 /nfs/dbraw/zinc/62/03/19/609620319.db2.gz WUDRWLQQEQPBPJ-SNVBAGLBSA-N -1 3 374.832 3.353 20 0 FGADHM CC[C@@H](C)n1nc(C(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)cc1C ZINC000825083041 609620320 /nfs/dbraw/zinc/62/03/20/609620320.db2.gz WUDRWLQQEQPBPJ-SNVBAGLBSA-N -1 3 374.832 3.353 20 0 FGADHM CC[C@@H](C)[C@@H](C(=O)OCC(=O)[N-]C(=O)c1cccs1)c1ccccc1 ZINC000007089802 695562871 /nfs/dbraw/zinc/56/28/71/695562871.db2.gz BUXYNARUBVEFEC-CXAGYDPISA-N -1 3 359.447 3.378 20 0 FGADHM O=S(=O)([N-]Cc1cnn(-c2ccccc2)c1)c1ccc(Cl)cc1F ZINC000014812869 695615131 /nfs/dbraw/zinc/61/51/31/695615131.db2.gz FRLKHGJPBADTCN-UHFFFAOYSA-N -1 3 365.817 3.143 20 0 FGADHM O=C(CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)Nc1ccccc1 ZINC000024811996 695670317 /nfs/dbraw/zinc/67/03/17/695670317.db2.gz XGCOZBGWWCJQJI-UHFFFAOYSA-N -1 3 373.261 3.301 20 0 FGADHM COC(=O)c1cc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)ccc1F ZINC000026235643 695682023 /nfs/dbraw/zinc/68/20/23/695682023.db2.gz RMLRFXNRARWKHF-UHFFFAOYSA-N -1 3 351.399 3.338 20 0 FGADHM CC[C@H]1CCCN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)C1 ZINC000027154489 695691519 /nfs/dbraw/zinc/69/15/19/695691519.db2.gz AZEDWRSQGYMOMP-ZDUSSCGKSA-N -1 3 370.490 3.165 20 0 FGADHM Cc1c([O-])ccc2c(Cn3cccc(C(F)(F)F)c3=O)cc(=O)oc12 ZINC000031813953 695739638 /nfs/dbraw/zinc/73/96/38/695739638.db2.gz GSSSTQRQVXDWMN-UHFFFAOYSA-N -1 3 351.280 3.036 20 0 FGADHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(NC(C)=O)c2C)cc1C ZINC000032590771 695746559 /nfs/dbraw/zinc/74/65/59/695746559.db2.gz CHVANGGQJCBGCF-UHFFFAOYSA-N -1 3 362.451 3.461 20 0 FGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)CCOc1cccc(Cl)c1 ZINC000032965543 695749147 /nfs/dbraw/zinc/74/91/47/695749147.db2.gz YFMFCXIUUKSMAZ-UHFFFAOYSA-N -1 3 368.842 3.119 20 0 FGADHM C[C@@H](NC(=S)N[N-]C(=O)c1ccc2ccccc2n1)c1ccccc1 ZINC000044050892 695800350 /nfs/dbraw/zinc/80/03/50/695800350.db2.gz FUAWEYQFDWWEHF-CYBMUJFWSA-N -1 3 350.447 3.105 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=S)NCCCSC)c2)n1 ZINC000044197299 695805578 /nfs/dbraw/zinc/80/55/78/695805578.db2.gz HARGXJSLYPJYMD-UHFFFAOYSA-N -1 3 362.524 3.039 20 0 FGADHM O=S(=O)([N-]C[C@H]1CCN(c2ccccc2)C1)c1ccc(Cl)cc1F ZINC000045743711 695826156 /nfs/dbraw/zinc/82/61/56/695826156.db2.gz BUCLFNFQMOTBNO-CYBMUJFWSA-N -1 3 368.861 3.284 20 0 FGADHM O=C(CCCOc1ccccc1Cl)N[N-]C(=O)c1ccccc1F ZINC000050257525 695901274 /nfs/dbraw/zinc/90/12/74/695901274.db2.gz SLZKBYKZHRPJAK-UHFFFAOYSA-N -1 3 350.777 3.099 20 0 FGADHM C/C=C/COC(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000053920010 695935182 /nfs/dbraw/zinc/93/51/82/695935182.db2.gz HGUAEUGLTRAVCY-NSCUHMNNSA-N -1 3 364.250 3.167 20 0 FGADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H](C)C(C)(C)c1ccccc1 ZINC000076387816 700231630 /nfs/dbraw/zinc/23/16/30/700231630.db2.gz XQVDGEKOJIYBFR-GFCCVEGCSA-N -1 3 355.891 3.027 20 0 FGADHM O=S(=O)(Cc1ccc(Cl)nc1)[N-]Cc1ncc(-c2ccccc2)o1 ZINC000101571788 700468322 /nfs/dbraw/zinc/46/83/22/700468322.db2.gz PZINSGGWNHMBQW-UHFFFAOYSA-N -1 3 363.826 3.010 20 0 FGADHM CCOC(=O)c1cc(S(=O)(=O)[N-]c2cc(C)ccc2F)ccc1F ZINC000103057894 700481048 /nfs/dbraw/zinc/48/10/48/700481048.db2.gz BEWYXQSFPUUXIF-UHFFFAOYSA-N -1 3 355.362 3.251 20 0 FGADHM O=C(N[C@@H]1CCSc2c(F)cccc21)c1nnc2ccccc2c1[O-] ZINC000109947951 700537765 /nfs/dbraw/zinc/53/77/65/700537765.db2.gz COFLQTHTPWDOJQ-CYBMUJFWSA-N -1 3 355.394 3.029 20 0 FGADHM O=C(c1c[n-]c2ccccc2c1=O)N1CCc2ccc(Br)cc21 ZINC000112331128 700558709 /nfs/dbraw/zinc/55/87/09/700558709.db2.gz YRWNLXPPWFAJTK-UHFFFAOYSA-N -1 3 369.218 3.494 20 0 FGADHM Cc1ccccc1[C@H](O)C[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000119489150 700630587 /nfs/dbraw/zinc/63/05/87/700630587.db2.gz FWOFDUMFZYPMIW-CYBMUJFWSA-N -1 3 360.262 3.314 20 0 FGADHM Cc1cc(F)c(S(=O)(=O)[N-][C@@H](C)C[C@H](O)c2ccc(F)cc2)cc1F ZINC000123906184 700711987 /nfs/dbraw/zinc/71/19/87/700711987.db2.gz DQNSSFPLKQRYHH-ZBEGNZNMSA-N -1 3 373.396 3.203 20 0 FGADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)C1(c2ccc(Cl)cc2)CC1 ZINC000135572784 704849724 /nfs/dbraw/zinc/84/97/24/704849724.db2.gz PJXXMRXSDPEQHX-UHFFFAOYSA-N -1 3 353.813 3.114 20 0 FGADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)C1(c2ccc(Cl)cc2)CC1 ZINC000135572784 704849730 /nfs/dbraw/zinc/84/97/30/704849730.db2.gz PJXXMRXSDPEQHX-UHFFFAOYSA-N -1 3 353.813 3.114 20 0 FGADHM Cc1sc2[n-]c([C@H](C)OC(=O)[C@H](C)OCC3CC3)nc(=O)c2c1C ZINC000142375945 704883699 /nfs/dbraw/zinc/88/36/99/704883699.db2.gz GTAKBWTWSUZQIV-UWVGGRQHSA-N -1 3 350.440 3.021 20 0 FGADHM Cc1cc(C(=O)[N-]n2c(C)nc3sccc3c2=O)c(Cl)cc1F ZINC000150918215 704904680 /nfs/dbraw/zinc/90/46/80/704904680.db2.gz MREIUYGIHYZJCP-UHFFFAOYSA-N -1 3 351.790 3.251 20 0 FGADHM COc1cc(Cl)c(C)cc1NC(=O)C(C#N)=C([O-])c1cncc(F)c1 ZINC000151600697 704930037 /nfs/dbraw/zinc/93/00/37/704930037.db2.gz WZUFJPDELSSZJB-GFCCVEGCSA-N -1 3 361.760 3.152 20 0 FGADHM O=S(=O)([N-][C@H]1CC[C@H](CO)CC1)c1ccc(Cl)cc1C(F)(F)F ZINC000152274412 704957370 /nfs/dbraw/zinc/95/73/70/704957370.db2.gz JEKIUSHMDFQQRG-JGZJWPJOSA-N -1 3 371.808 3.188 20 0 FGADHM CCOc1ccc(Br)cc1NC([O-])=NO[C@@H]1CCCCO1 ZINC000155992213 705097600 /nfs/dbraw/zinc/09/76/00/705097600.db2.gz QOBMNHNVUFGHBS-CYBMUJFWSA-N -1 3 359.220 3.428 20 0 FGADHM CCOc1ccc(Br)cc1NC(=O)[N-]O[C@@H]1CCCCO1 ZINC000155992213 705097605 /nfs/dbraw/zinc/09/76/05/705097605.db2.gz QOBMNHNVUFGHBS-CYBMUJFWSA-N -1 3 359.220 3.428 20 0 FGADHM C[C@@H](C[C@H](O)c1cccs1)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000158110756 705172785 /nfs/dbraw/zinc/17/27/85/705172785.db2.gz 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/nfs/dbraw/zinc/71/92/52/705719252.db2.gz OSTHGQSSEATIKO-NSHDSACASA-N -1 3 363.204 3.361 20 0 FGADHM CSCCN1CC[C@H](c2ccc(F)cc2)[C@H]([N-]C(=O)C(F)(F)F)C1 ZINC000181394284 705792171 /nfs/dbraw/zinc/79/21/71/705792171.db2.gz JHVRADUAAGNUIJ-ZIAGYGMSSA-N -1 3 364.408 3.025 20 0 FGADHM O=C(Nc1cc(Cl)ccc1[O-])[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000183300200 705887158 /nfs/dbraw/zinc/88/71/58/705887158.db2.gz PVNVGCRLPMZUAC-HNNXBMFYSA-N -1 3 361.741 3.086 20 0 FGADHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@H](C)CCCC(F)(F)F ZINC000185274529 712690587 /nfs/dbraw/zinc/69/05/87/712690587.db2.gz BPJPNLKEBKOOJU-SNVBAGLBSA-N -1 3 358.360 3.460 20 0 FGADHM C[S@](=O)Cc1cc(NC(=O)/C(C#N)=C\c2ccc([O-])cc2)ccc1Cl ZINC000185667324 712699364 /nfs/dbraw/zinc/69/93/64/712699364.db2.gz ITGZCXFYIMZKAR-SXUJQFLNSA-N -1 3 374.849 3.470 20 0 FGADHM N#Cc1ccc(C2(C(=O)N[N-]C(=O)c3ccc(Cl)cc3Cl)CC2)cc1 ZINC000187201975 712735620 /nfs/dbraw/zinc/73/56/20/712735620.db2.gz SKCOHHSRTBSCGN-UHFFFAOYSA-N -1 3 374.227 3.358 20 0 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O=C(C[C@H]1CC[C@H](C2CC2)O1)NCc1ccc([O-])c(Br)c1 ZINC000934942873 761754104 /nfs/dbraw/zinc/75/41/04/761754104.db2.gz AQYBTXHFLGSJOE-IUODEOHRSA-N -1 3 354.244 3.119 20 0 FGADHM Cc1cc(C)n(CCCC(=O)NCc2ccc([O-])c(Br)c2)n1 ZINC000934944159 761754401 /nfs/dbraw/zinc/75/44/01/761754401.db2.gz FVPLSQSHIJGBTR-UHFFFAOYSA-N -1 3 366.259 3.065 20 0 FGADHM O=C([N-][C@@H]1CCCC[C@H]1NC(=O)c1cc(F)c(Cl)cc1F)C(F)F ZINC000976127233 763265017 /nfs/dbraw/zinc/26/50/17/763265017.db2.gz DXGRQONORRGMQI-VXGBXAGGSA-N -1 3 366.742 3.041 20 0 FGADHM Cc1csc(C(=O)NC[C@H]2CC[C@@H](NC(=O)c3ccccc3[O-])C2)c1 ZINC000981292100 763474243 /nfs/dbraw/zinc/47/42/43/763474243.db2.gz VKHLLYKMNJNCGD-UONOGXRCSA-N -1 3 358.463 3.091 20 0 FGADHM C[C@@H]1[C@@H](NC(=O)c2csc(Cl)c2)CCN1C(=O)c1ccccc1[O-] ZINC000987956410 764217983 /nfs/dbraw/zinc/21/79/83/764217983.db2.gz UVWDUWLHAYDLCK-MFKMUULPSA-N -1 3 364.854 3.140 20 0 FGADHM CCCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000014683241 220129534 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COc1cccc(C(=O)NCc2cc(Br)ccc2F)c1[O-] ZINC000041064970 494147378 /nfs/dbraw/zinc/14/73/78/494147378.db2.gz QOCWIKCUJJDHIE-UHFFFAOYSA-N -1 3 354.175 3.232 20 0 FGADHM CC(C)(C)CNC(=O)C(C)(C)NCc1cc([O-])ccc1Br ZINC000121165963 494628054 /nfs/dbraw/zinc/62/80/54/494628054.db2.gz YCGGDSIVAIMSGH-UHFFFAOYSA-N -1 3 357.292 3.185 20 0 FGADHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CCc2c1cccc2Br ZINC000567913267 505573323 /nfs/dbraw/zinc/57/33/23/505573323.db2.gz AHXOCTKKQLPVHX-UHFFFAOYSA-N -1 3 360.211 3.025 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]Cc2cccc(NC(=O)C3CCCC3)c2)o1 ZINC000540207999 503709872 /nfs/dbraw/zinc/70/98/72/503709872.db2.gz NDWHIRQXDXLEBG-UHFFFAOYSA-N -1 3 362.451 3.195 20 0 FGADHM O=C(NCc1ccc([O-])c(Br)c1)N1C[C@@H](C2CC2)[C@H]1C1CC1 ZINC000570778026 505578081 /nfs/dbraw/zinc/57/80/81/505578081.db2.gz PSGWJNNAXQYSIZ-XJKSGUPXSA-N -1 3 365.271 3.485 20 0 FGADHM COc1ccc(CN[C@H](CC(=O)[O-])c2cccc(C(F)(F)F)c2)cn1 ZINC000567926223 505576518 /nfs/dbraw/zinc/57/65/18/505576518.db2.gz FDQITEOVNBFGJH-CQSZACIVSA-N -1 3 354.328 3.415 20 0 FGADHM Cn1cc(Br)c(=NC(=O)c2cc3c(s2)CCCCC3)[n-]1 ZINC000567929558 505577482 /nfs/dbraw/zinc/57/74/82/505577482.db2.gz DDBOXTDFPRZZID-UHFFFAOYSA-N -1 3 354.273 3.187 20 0 FGADHM O=C([O-])[C@@H]1Cc2c(Br)cccc2CN1CC[C@@H]1CCCCO1 ZINC000579603267 505584835 /nfs/dbraw/zinc/58/48/35/505584835.db2.gz NNTLPMAOIPYMGV-BBRMVZONSA-N -1 3 368.271 3.220 20 0 FGADHM Cc1cc(N2CCN(c3ncc(C(=O)[O-])s3)CC2)c2ccccc2n1 ZINC000567984364 505589822 /nfs/dbraw/zinc/58/98/22/505589822.db2.gz KDNSOFBYLHWHMC-UHFFFAOYSA-N -1 3 354.435 3.025 20 0 FGADHM C[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)N(C)C1CC1 ZINC000069129443 493925691 /nfs/dbraw/zinc/92/56/91/493925691.db2.gz MTLFTBMXOLLBJU-VIFPVBQESA-N -1 3 370.824 3.120 20 0 FGADHM O=C(NCc1ncccc1[O-])c1c(F)ccc(SCC2CC2)c1F ZINC000579675189 505599341 /nfs/dbraw/zinc/59/93/41/505599341.db2.gz XRTVRLGHSODWNW-UHFFFAOYSA-N -1 3 350.390 3.498 20 0 FGADHM COC(=O)[C@@H](CC1CCCCC1)[N-]S(=O)(=O)C[C@@H](C)CC(F)(F)F 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DNXMHHXRPJLLLQ-UHFFFAOYSA-N -1 3 351.381 3.042 20 0 FGADHM COC(=O)c1c(C)nc(=O)[n-]c1S[C@H](C)c1ccc(OC(F)F)cc1 ZINC000066409352 494329281 /nfs/dbraw/zinc/32/92/81/494329281.db2.gz YTHGGNMRVXRBAB-SECBINFHSA-N -1 3 370.377 3.320 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)NCCCOc2c(C)cccc2C)c1 ZINC000055400408 494338265 /nfs/dbraw/zinc/33/82/65/494338265.db2.gz ZCGNHKIMVVYWJJ-UHFFFAOYSA-N -1 3 356.422 3.166 20 0 FGADHM COc1ccccc1NC(=O)C1CCN(C(=O)c2cccc(C)c2[O-])CC1 ZINC000078688162 494343890 /nfs/dbraw/zinc/34/38/90/494343890.db2.gz WVECQXKYZZERGS-UHFFFAOYSA-N -1 3 368.433 3.200 20 0 FGADHM CCN(C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)C1CC1 ZINC000044545170 494365546 /nfs/dbraw/zinc/36/55/46/494365546.db2.gz ZEPJAVZGOAGJID-UHFFFAOYSA-N -1 3 362.426 3.251 20 0 FGADHM CC(C)(C)c1csc(C2CCN(C(=O)Cc3cncc([O-])c3)CC2)n1 ZINC000568531633 505716485 /nfs/dbraw/zinc/71/64/85/505716485.db2.gz JJQOJHJUWGEVDA-UHFFFAOYSA-N -1 3 359.495 3.490 20 0 FGADHM O=C(Nc1ccccc1[N-]S(=O)(=O)CCc1ccccc1)N1CCCC1 ZINC000055621320 494374829 /nfs/dbraw/zinc/37/48/29/494374829.db2.gz LOFDKKZMMZCOCD-UHFFFAOYSA-N -1 3 373.478 3.299 20 0 FGADHM CC(C)CCC[C@H](C)NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000079082601 494401480 /nfs/dbraw/zinc/40/14/80/494401480.db2.gz NRRMRGTZSWTOLZ-INIZCTEOSA-N -1 3 361.486 3.074 20 0 FGADHM Cc1ccc(NC(=O)CCC(=O)c2ccc3c(c2)OCCCO3)c([O-])c1 ZINC000017410627 494414669 /nfs/dbraw/zinc/41/46/69/494414669.db2.gz ZZSXCDKAPGITLJ-UHFFFAOYSA-N -1 3 355.390 3.464 20 0 FGADHM O=C(Nc1ccccc1[O-])C1CCN(C(=O)Nc2ccc(F)cc2)CC1 ZINC000017743371 494416102 /nfs/dbraw/zinc/41/61/02/494416102.db2.gz DSDPIGLAHDQKGJ-UHFFFAOYSA-N -1 3 357.385 3.414 20 0 FGADHM CCN(Cc1ccccc1Cl)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000045396892 494423990 /nfs/dbraw/zinc/42/39/90/494423990.db2.gz HGMWLKZUFCIDRP-UHFFFAOYSA-N -1 3 366.870 3.374 20 0 FGADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N1CCC[C@@H](c2ccccc2)CC1 ZINC000067033179 494459217 /nfs/dbraw/zinc/45/92/17/494459217.db2.gz DIORPQLPUPWTIA-OAHLLOKOSA-N -1 3 363.417 3.372 20 0 FGADHM O=S(=O)([N-][C@@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1ccc(F)cc1F ZINC000056138141 494460530 /nfs/dbraw/zinc/46/05/30/494460530.db2.gz STIVYLDSBZICOA-RDJZCZTQSA-N -1 3 371.380 3.303 20 0 FGADHM COc1ccc([C@H]2CCCCCN2C(=O)Cc2c(C)nc(C)[n-]c2=O)cc1 ZINC000056271161 494479456 /nfs/dbraw/zinc/47/94/56/494479456.db2.gz NJKMQEFXCRLORY-LJQANCHMSA-N -1 3 369.465 3.082 20 0 FGADHM O=C(NC[C@H](c1ccccc1)N1CCCC1)c1c[n-]c2ccccc2c1=O ZINC000046024730 494487255 /nfs/dbraw/zinc/48/72/55/494487255.db2.gz RJILYZRKCXIXSK-HXUWFJFHSA-N -1 3 361.445 3.095 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)c1ccsc1C(=O)OC)c1ccc(C)cc1 ZINC000022411674 494522872 /nfs/dbraw/zinc/52/28/72/494522872.db2.gz VNRYYVZRQJYFIB-ZDUSSCGKSA-N -1 3 353.465 3.273 20 0 FGADHM Cc1ccc([C@@H]2CSCCN2C(=O)NCc2ccc([O-])c(F)c2)o1 ZINC000074375539 494527315 /nfs/dbraw/zinc/52/73/15/494527315.db2.gz OGHMGEISBWNZIA-AWEZNQCLSA-N -1 3 350.415 3.432 20 0 FGADHM Cc1sc(-c2ccco2)nc1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000074418469 494531842 /nfs/dbraw/zinc/53/18/42/494531842.db2.gz IARHLZQPRPCIQY-UHFFFAOYSA-N -1 3 352.379 3.144 20 0 FGADHM Cc1sc(-c2ccco2)nc1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000074418469 494531847 /nfs/dbraw/zinc/53/18/47/494531847.db2.gz IARHLZQPRPCIQY-UHFFFAOYSA-N -1 3 352.379 3.144 20 0 FGADHM Cc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3ccc(C)cc3[O-])C2)cc1 ZINC000046642742 494547174 /nfs/dbraw/zinc/54/71/74/494547174.db2.gz UJQFRSNLBNUVKB-KRWDZBQOSA-N -1 3 352.434 3.500 20 0 FGADHM O=c1[n-]c(=O)n(C2CC2)c2nc(C3CC3)nc(SCc3ccccc3)c12 ZINC000023559686 494570921 /nfs/dbraw/zinc/57/09/21/494570921.db2.gz IZMLBZSHFZCNAH-UHFFFAOYSA-N -1 3 366.446 3.397 20 0 FGADHM Cc1ccc(CNC(=O)C2CCN(C(=O)c3ccc(C)cc3[O-])CC2)cc1 ZINC000080100602 494594552 /nfs/dbraw/zinc/59/45/52/494594552.db2.gz ZBJGWVIPWZVUNG-UHFFFAOYSA-N -1 3 366.461 3.178 20 0 FGADHM Cc1nc([C@H]([N-]S(=O)(=O)CC2CCCC2)c2ccc(Cl)cc2)no1 ZINC000092335926 494598470 /nfs/dbraw/zinc/59/84/70/494598470.db2.gz PPTMNYVWFJAENX-OAHLLOKOSA-N -1 3 369.874 3.230 20 0 FGADHM COc1ccccc1-c1nc(NC(=O)C2(c3cccc(F)c3)CC2)n[n-]1 ZINC000115709507 494603090 /nfs/dbraw/zinc/60/30/90/494603090.db2.gz HSZXAXIKPVNWLV-UHFFFAOYSA-N -1 3 352.369 3.290 20 0 FGADHM C[C@H](CC(=O)Nc1cc(N2CCCS2(=O)=O)ccc1[O-])c1ccccc1 ZINC000056965258 494605884 /nfs/dbraw/zinc/60/58/84/494605884.db2.gz VXDUHLKIXSPTCA-CQSZACIVSA-N -1 3 374.462 3.064 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)N[C@@H]1CCN(c2cccc(Cl)c2)C1 ZINC000080147964 494612950 /nfs/dbraw/zinc/61/29/50/494612950.db2.gz SAEBUQAZSOZOML-CQSZACIVSA-N -1 3 363.820 3.263 20 0 FGADHM C[C@@H](C(=O)Nc1ccccc1Br)[S@](=O)c1ccc([O-])cc1 ZINC000108084309 494643318 /nfs/dbraw/zinc/64/33/18/494643318.db2.gz GLUBEBVTBQAVST-CHNSCGDPSA-N -1 3 368.252 3.290 20 0 FGADHM O=[S@@](Cc1cc2c(cc1Br)OCCO2)c1ccc([O-])cc1 ZINC000108084744 494645538 /nfs/dbraw/zinc/64/55/38/494645538.db2.gz IBQGQCSKDCFICB-OAQYLSRUSA-N -1 3 369.236 3.234 20 0 FGADHM Cc1nnc([N-]C(=O)c2cnn(-c3ccc(F)cc3)c2C(F)(F)F)s1 ZINC000024620789 494648239 /nfs/dbraw/zinc/64/82/39/494648239.db2.gz CNSBZEYDKOUCOH-UHFFFAOYSA-N -1 3 371.319 3.442 20 0 FGADHM CSCC[C@@H](C)N(C)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000126201452 494669109 /nfs/dbraw/zinc/66/91/09/494669109.db2.gz DTQMICFIIOBZKB-SNVBAGLBSA-N -1 3 361.305 3.438 20 0 FGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1ccc(OC(F)(F)F)cc1 ZINC000024882054 494675288 /nfs/dbraw/zinc/67/52/88/494675288.db2.gz WGMOVLXHEXWQRN-UHFFFAOYSA-N -1 3 374.340 3.209 20 0 FGADHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)Cc3c[nH]c4ccccc34)c2)n1 ZINC000047318233 494679272 /nfs/dbraw/zinc/67/92/72/494679272.db2.gz AKVPUCCOSYPZGX-UHFFFAOYSA-N -1 3 358.401 3.408 20 0 FGADHM CCc1cccc(C(=O)N2CCOC[C@@H]2CC(=O)c2ccccc2)c1[O-] ZINC000092599863 494682821 /nfs/dbraw/zinc/68/28/21/494682821.db2.gz HJHLRTBGDTXBAU-KRWDZBQOSA-N -1 3 353.418 3.069 20 0 FGADHM Cc1cc2cccnc2c(NC(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)c1 ZINC000091792613 494683029 /nfs/dbraw/zinc/68/30/29/494683029.db2.gz PPDWSTKMOVXKFV-UHFFFAOYSA-N -1 3 373.409 3.306 20 0 FGADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2cccc(-c3ccncc3)c2)CC1 ZINC000091811113 494686322 /nfs/dbraw/zinc/68/63/22/494686322.db2.gz LLQCGKOTACUNLE-UHFFFAOYSA-N -1 3 373.456 3.412 20 0 FGADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2cccc(-c3ccccn3)c2)CC1 ZINC000091811145 494688804 /nfs/dbraw/zinc/68/88/04/494688804.db2.gz SQVJLHVMNOCZHK-UHFFFAOYSA-N -1 3 373.456 3.412 20 0 FGADHM Cn1[n-]c([C@H]2CCCN2C(=O)CCCc2ccc(C(C)(C)C)cc2)nc1=N ZINC000571453429 505736354 /nfs/dbraw/zinc/73/63/54/505736354.db2.gz RPSNLRVJAIMJEL-QGZVFWFLSA-N -1 3 369.513 3.212 20 0 FGADHM Cc1cc(NC(=O)c2ccc3n[n-]nc3c2)ccc1OCC(F)(F)F ZINC000121318105 494699094 /nfs/dbraw/zinc/69/90/94/494699094.db2.gz LPCFRZLQVGFVGV-UHFFFAOYSA-N -1 3 350.300 3.460 20 0 FGADHM Cc1cccc(Cl)c1CS(=O)(=O)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000577481485 505737239 /nfs/dbraw/zinc/73/72/39/505737239.db2.gz WJOLUHJRKXUOQM-UHFFFAOYSA-N -1 3 352.843 3.136 20 0 FGADHM CN(C)CCOc1ccc([N-]S(=O)(=O)c2c(F)cccc2Cl)cc1 ZINC000126366813 494726831 /nfs/dbraw/zinc/72/68/31/494726831.db2.gz HPRDMCFLYPGQQJ-UHFFFAOYSA-N -1 3 372.849 3.220 20 0 FGADHM O=C(Nc1cccc(CN2CCSCC2)c1)c1cc(-c2ccco2)[n-]n1 ZINC000116191329 494727191 /nfs/dbraw/zinc/72/71/91/494727191.db2.gz FUALOULLJNSIET-UHFFFAOYSA-N -1 3 368.462 3.471 20 0 FGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1ccc(Oc2cccnc2)cc1 ZINC000068017665 494731636 /nfs/dbraw/zinc/73/16/36/494731636.db2.gz MORADLBYDNPKSQ-UHFFFAOYSA-N -1 3 358.361 3.306 20 0 FGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1ccc(Oc2cccnc2)cc1 ZINC000068017665 494731646 /nfs/dbraw/zinc/73/16/46/494731646.db2.gz MORADLBYDNPKSQ-UHFFFAOYSA-N -1 3 358.361 3.306 20 0 FGADHM O=S(=O)([N-][C@@H](CCCO)c1ccccc1)c1cccc(Cl)c1F ZINC000121431707 494752421 /nfs/dbraw/zinc/75/24/21/494752421.db2.gz JMGLUXKWJFBXNL-AWEZNQCLSA-N -1 3 357.834 3.271 20 0 FGADHM CC(=O)Nc1ccc(-c2csc([N-]C(=O)c3csnn3)n2)c(F)c1 ZINC000121432229 494752753 /nfs/dbraw/zinc/75/27/53/494752753.db2.gz MSGXKLKNJUCODD-UHFFFAOYSA-N -1 3 363.399 3.011 20 0 FGADHM Cc1ccc([O-])c(CN2CCC(NC(=O)Nc3ccc(F)cc3)CC2)n1 ZINC000092030878 494760912 /nfs/dbraw/zinc/76/09/12/494760912.db2.gz OVOALQYGBZNBHA-UHFFFAOYSA-N -1 3 358.417 3.021 20 0 FGADHM [O-]C(=NO[C@H]1CCCCO1)Nc1cnn(-c2ccccc2)c1C(F)(F)F ZINC000121467462 494769825 /nfs/dbraw/zinc/76/98/25/494769825.db2.gz ZYMRGUNGMAZIHC-ZDUSSCGKSA-N -1 3 370.331 3.471 20 0 FGADHM O=C([N-]O[C@H]1CCCCO1)Nc1cnn(-c2ccccc2)c1C(F)(F)F ZINC000121467462 494769831 /nfs/dbraw/zinc/76/98/31/494769831.db2.gz ZYMRGUNGMAZIHC-ZDUSSCGKSA-N -1 3 370.331 3.471 20 0 FGADHM Cc1ccc(C(=O)NCCc2nc(-c3ccc(F)c(F)c3)no2)c([O-])c1 ZINC000131919001 494773858 /nfs/dbraw/zinc/77/38/58/494773858.db2.gz RMADLDYCLKLEIY-UHFFFAOYSA-N -1 3 359.332 3.001 20 0 FGADHM O=S(=O)([N-][C@@H]1CCc2ccccc2C1)c1ccc(Br)s1 ZINC000047826589 494780018 /nfs/dbraw/zinc/78/00/18/494780018.db2.gz NARYHFGKAKLXPQ-GFCCVEGCSA-N -1 3 372.309 3.346 20 0 FGADHM COc1ccc2ncc(C(=O)[O-])c(N3CCC[C@@H]([C@@H]4CCOC4)C3)c2c1 ZINC000568637082 505741746 /nfs/dbraw/zinc/74/17/46/505741746.db2.gz GZTZBYJDPNOULL-ZIAGYGMSSA-N -1 3 356.422 3.195 20 0 FGADHM C[C@H]1C[C@H](c2ccccc2F)N(C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)C1 ZINC000075534426 494788447 /nfs/dbraw/zinc/78/84/47/494788447.db2.gz LAWDDPOSYXSKAP-APPDUMDISA-N -1 3 367.380 3.324 20 0 FGADHM C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)C1 ZINC000075534428 494788661 /nfs/dbraw/zinc/78/86/61/494788661.db2.gz LAWDDPOSYXSKAP-DIFFPNOSSA-N -1 3 367.380 3.324 20 0 FGADHM O=C(c1ccc(Cl)cc1)C1CCN(C(=O)c2c([O-])cccc2O)CC1 ZINC000092119764 494796459 /nfs/dbraw/zinc/79/64/59/494796459.db2.gz POTJJKBCVKDTBA-UHFFFAOYSA-N -1 3 359.809 3.486 20 0 FGADHM COC(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)c1 ZINC000026238396 494812272 /nfs/dbraw/zinc/81/22/72/494812272.db2.gz MGZMRQRMGRYCPM-UHFFFAOYSA-N -1 3 361.753 3.206 20 0 FGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)c2cccnc12 ZINC000075697416 494817630 /nfs/dbraw/zinc/81/76/30/494817630.db2.gz OBKPNTCPWBGQSY-UHFFFAOYSA-N -1 3 350.769 3.321 20 0 FGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)c2cccnc12 ZINC000075697416 494817632 /nfs/dbraw/zinc/81/76/32/494817632.db2.gz OBKPNTCPWBGQSY-UHFFFAOYSA-N -1 3 350.769 3.321 20 0 FGADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2)cc1OC ZINC000026529955 494830682 /nfs/dbraw/zinc/83/06/82/494830682.db2.gz CVSDOXMHLBLWCQ-UHFFFAOYSA-N -1 3 373.377 3.414 20 0 FGADHM CC(C)(CO)CCC[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000121703474 494842489 /nfs/dbraw/zinc/84/24/89/494842489.db2.gz DFVASSSWXBSWLI-UHFFFAOYSA-N -1 3 373.824 3.436 20 0 FGADHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cccc(-n4cccn4)c3)c2)n1 ZINC000116728405 494844409 /nfs/dbraw/zinc/84/44/09/494844409.db2.gz NTCULFIXMADFFF-UHFFFAOYSA-N -1 3 371.400 3.183 20 0 FGADHM Cc1c(C(=O)[N-]c2ccncc2F)sc2nc3n(c(=O)c12)CCCCC3 ZINC000132286598 494851643 /nfs/dbraw/zinc/85/16/43/494851643.db2.gz JEXIARSXUOKLKK-UHFFFAOYSA-N -1 3 372.425 3.279 20 0 FGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)[C@@H](CC)Oc1ccccc1F ZINC000093317937 494867315 /nfs/dbraw/zinc/86/73/15/494867315.db2.gz PKOWFIWHTAWRIR-GFCCVEGCSA-N -1 3 364.373 3.349 20 0 FGADHM CCCCc1nc(C(=O)OCC)c(NC(=O)c2ccc(N(C)C)cc2)[n-]1 ZINC000580386673 505747008 /nfs/dbraw/zinc/74/70/08/505747008.db2.gz NLIJPXCGKCDTNU-UHFFFAOYSA-N -1 3 358.442 3.247 20 0 FGADHM CCCCc1nc(NC(=O)c2ccc(N(C)C)cc2)c(C(=O)OCC)[n-]1 ZINC000580386673 505747013 /nfs/dbraw/zinc/74/70/13/505747013.db2.gz NLIJPXCGKCDTNU-UHFFFAOYSA-N -1 3 358.442 3.247 20 0 FGADHM COc1cccc(C(=O)N[C@@H](c2cccc(F)c2)c2ccccn2)c1[O-] ZINC000132430243 494873003 /nfs/dbraw/zinc/87/30/03/494873003.db2.gz MEWAPUBCCZVVJX-SFHVURJKSA-N -1 3 352.365 3.454 20 0 FGADHM CC(C)[N-]S(=O)(=O)c1cc(-c2nc(-c3cccs3)no2)ccc1F ZINC000109460608 494878436 /nfs/dbraw/zinc/87/84/36/494878436.db2.gz RAUHGWIOGVJZHY-UHFFFAOYSA-N -1 3 367.427 3.291 20 0 FGADHM Cc1cc(Cl)cc(NC(=O)c2ccc(=O)n(-c3ccc(F)cc3)n2)c1[O-] ZINC000116978960 494878833 /nfs/dbraw/zinc/87/88/33/494878833.db2.gz QYFYHVBRMWUHGF-UHFFFAOYSA-N -1 3 373.771 3.291 20 0 FGADHM COCC[S@](=O)Cc1cccc(NC(=O)c2ccc(C)c(C)c2[O-])c1 ZINC000116987091 494880295 /nfs/dbraw/zinc/88/02/95/494880295.db2.gz QWEXCYCNBGIETN-RUZDIDTESA-N -1 3 361.463 3.156 20 0 FGADHM C[C@H](c1ccc(F)cc1)N(C)C(=O)CSc1n[n-]c(-c2ccccn2)n1 ZINC000117112933 494892218 /nfs/dbraw/zinc/89/22/18/494892218.db2.gz TYUVZKMGMRPVLS-GFCCVEGCSA-N -1 3 371.441 3.318 20 0 FGADHM Cc1ccccc1CCNC(=O)[C@H](C)Sc1n[n-]c(-c2ccccn2)n1 ZINC000117115766 494892841 /nfs/dbraw/zinc/89/28/41/494892841.db2.gz HKGUJPWGBWKFBX-AWEZNQCLSA-N -1 3 367.478 3.015 20 0 FGADHM CCOc1ccc(NC(=O)[C@@H](C)Sc2n[n-]c(-c3ccccn3)n2)cc1 ZINC000117115203 494892954 /nfs/dbraw/zinc/89/29/54/494892954.db2.gz JPDAOIWEGLOEOK-GFCCVEGCSA-N -1 3 369.450 3.385 20 0 FGADHM Cc1ccc(CN(C(=O)CCc2c(C)nc(C)[n-]c2=O)C2CC2)cc1C ZINC000127114044 494895304 /nfs/dbraw/zinc/89/53/04/494895304.db2.gz DRHPISGFAYJENV-UHFFFAOYSA-N -1 3 353.466 3.127 20 0 FGADHM Cc1c(C(=O)Nc2nnc(-c3ccccn3)[n-]2)cccc1-c1ccccn1 ZINC000121947860 494897010 /nfs/dbraw/zinc/89/70/10/494897010.db2.gz ZOYHKLXDANRVIO-UHFFFAOYSA-N -1 3 356.389 3.489 20 0 FGADHM Cc1c(C(=O)Nc2nc(-c3ccccn3)n[n-]2)cccc1-c1ccccn1 ZINC000121947860 494897012 /nfs/dbraw/zinc/89/70/12/494897012.db2.gz ZOYHKLXDANRVIO-UHFFFAOYSA-N -1 3 356.389 3.489 20 0 FGADHM Cc1c(C(=O)Nc2n[n-]c(-c3ccccn3)n2)cccc1-c1ccccn1 ZINC000121947860 494897014 /nfs/dbraw/zinc/89/70/14/494897014.db2.gz ZOYHKLXDANRVIO-UHFFFAOYSA-N -1 3 356.389 3.489 20 0 FGADHM CSc1ccc(O[C@@H](C)C(=O)[N-]c2nncn2Cc2ccccc2)cc1 ZINC000132598689 494897477 /nfs/dbraw/zinc/89/74/77/494897477.db2.gz WDUIBYDLCRGQAU-AWEZNQCLSA-N -1 3 368.462 3.454 20 0 FGADHM O=C([N-]c1n[nH]c(-c2ccccc2F)n1)c1cnc(-c2ccccn2)s1 ZINC000109625321 494897851 /nfs/dbraw/zinc/89/78/51/494897851.db2.gz CWLBOBMNGXXICF-UHFFFAOYSA-N -1 3 366.381 3.382 20 0 FGADHM CCC(=O)N1CC[C@@H](C(=O)Nc2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000127142770 494900051 /nfs/dbraw/zinc/90/00/51/494900051.db2.gz PYXKVLXJRMRSTP-QGZVFWFLSA-N -1 3 352.434 3.180 20 0 FGADHM COc1ccccc1C[C@H]1CCCN1C(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000122042057 494914294 /nfs/dbraw/zinc/91/42/94/494914294.db2.gz KDXHOQZGJJHUEM-QGZVFWFLSA-N -1 3 368.433 3.207 20 0 FGADHM C[C@H](C[N-]S(=O)(=O)c1ccc(Br)cc1Cl)C1CC1 ZINC000132778283 494923072 /nfs/dbraw/zinc/92/30/72/494923072.db2.gz QLGLFJRCQZDQIO-MRVPVSSYSA-N -1 3 352.681 3.427 20 0 FGADHM Cc1ccc([O-])c(CN(C)[C@H](CO)c2cccc(Br)c2)n1 ZINC000093815478 494924686 /nfs/dbraw/zinc/92/46/86/494924686.db2.gz XICHDHHXDOPFPL-OAHLLOKOSA-N -1 3 351.244 3.024 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](COCC(C)C)c2ccco2)c1 ZINC000122118937 494926755 /nfs/dbraw/zinc/92/67/55/494926755.db2.gz VLUJBZAQTOTZPU-MRXNPFEDSA-N -1 3 360.410 3.087 20 0 FGADHM O=S(=O)([N-]CCNCc1cccc(Cl)c1Cl)c1cccs1 ZINC000122229756 494943857 /nfs/dbraw/zinc/94/38/57/494943857.db2.gz LTOPHIXQGYQKQT-UHFFFAOYSA-N -1 3 365.307 3.123 20 0 FGADHM O=S(=O)(C[C@H]1CCCCO1)[N-]c1cccc(OCc2cscn2)c1 ZINC000110097738 494949038 /nfs/dbraw/zinc/94/90/38/494949038.db2.gz NBGICQFHRLGZJD-MRXNPFEDSA-N -1 3 368.480 3.033 20 0 FGADHM CC1(C)Cc2ccc(C(=O)Nc3ccc(C(N)=O)c(Cl)c3)c([O-])c2O1 ZINC000094127435 494952742 /nfs/dbraw/zinc/95/27/42/494952742.db2.gz FDHKXNCAJGQRSC-UHFFFAOYSA-N -1 3 360.797 3.110 20 0 FGADHM O=C(CN(Cc1cccnc1)c1ccccc1)NCc1ccc([O-])c(F)c1 ZINC000133017120 494957077 /nfs/dbraw/zinc/95/70/77/494957077.db2.gz MJXARHAAMPCIPY-UHFFFAOYSA-N -1 3 365.408 3.249 20 0 FGADHM CC(=O)CCc1ccc(OCCC(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000133034723 494959266 /nfs/dbraw/zinc/95/92/66/494959266.db2.gz FDLVHECJCFSFTO-UHFFFAOYSA-N -1 3 359.397 3.138 20 0 FGADHM O=C(Nc1ccc(Cl)cc1)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000110246863 494961179 /nfs/dbraw/zinc/96/11/79/494961179.db2.gz DYSZPSMOXHNAJX-UHFFFAOYSA-N -1 3 359.813 3.036 20 0 FGADHM Cc1ccc(C(=O)Nc2ccc(C(=O)N3CCOCC3)c(Cl)c2)c([O-])c1 ZINC000122558534 494993998 /nfs/dbraw/zinc/99/39/98/494993998.db2.gz UUIOLZWYAXEXSS-UHFFFAOYSA-N -1 3 374.824 3.079 20 0 FGADHM CC(C)[C@H](CCO)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000122558177 494994208 /nfs/dbraw/zinc/99/42/08/494994208.db2.gz XGFMTSZPVRHGKV-NSHDSACASA-N -1 3 359.797 3.044 20 0 FGADHM CC(C)C[C@H](C)S(=O)(=O)[N-][C@@H](c1nc(-c2cccnc2)no1)C(C)C ZINC000118430398 495001926 /nfs/dbraw/zinc/00/19/26/495001926.db2.gz PIOSWMVOURJCRQ-DZGCQCFKSA-N -1 3 366.487 3.183 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)[C@@H]1CCCN(C2CCC2)C1 ZINC000133357349 495005167 /nfs/dbraw/zinc/00/51/67/495005167.db2.gz XSYLUOQTQPMRQO-QWHCGFSZSA-N -1 3 374.909 3.410 20 0 FGADHM CCC[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)Nc1ccc(C)cc1[O-] ZINC000122651926 495009780 /nfs/dbraw/zinc/00/97/80/495009780.db2.gz JSRZIDGJNQEMCK-QGZVFWFLSA-N -1 3 373.428 3.446 20 0 FGADHM COC[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1C)c1ccco1 ZINC000133405655 495010356 /nfs/dbraw/zinc/01/03/56/495010356.db2.gz SFNGZVVDCMLMSM-LBPRGKRZSA-N -1 3 374.256 3.017 20 0 FGADHM CCCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)CCOC(C)C)c1 ZINC000122663339 495011938 /nfs/dbraw/zinc/01/19/38/495011938.db2.gz PQLSDZJTBIFBPL-UHFFFAOYSA-N -1 3 362.879 3.245 20 0 FGADHM COC[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1Cl)C(C)C ZINC000096876614 495015338 /nfs/dbraw/zinc/01/53/38/495015338.db2.gz HQNAPJAULODIFU-NSHDSACASA-N -1 3 370.696 3.052 20 0 FGADHM COC(=O)c1cc(C)nc2nc(SC[C@H](C)c3ccccc3)[n-]c(=O)c12 ZINC000128088086 495042823 /nfs/dbraw/zinc/04/28/23/495042823.db2.gz PDRPHZNDYIOJTR-NSHDSACASA-N -1 3 369.446 3.309 20 0 FGADHM Cc1csc(C(C)(C)NCc2nc3c4ccccc4oc3c(=O)[n-]2)n1 ZINC000118848738 495048396 /nfs/dbraw/zinc/04/83/96/495048396.db2.gz XAYGZNDVRIGQEQ-UHFFFAOYSA-N -1 3 354.435 3.459 20 0 FGADHM Cc1cc([N-]C(=O)[C@@H](C)Nc2ccccc2OC[C@H]2CCCCO2)on1 ZINC000122906982 495050282 /nfs/dbraw/zinc/05/02/82/495050282.db2.gz IKPMUTXCIURVKE-HUUCEWRRSA-N -1 3 359.426 3.370 20 0 FGADHM O=C([N-]c1nnc(C(F)(F)F)s1)c1cc(N2CCCC2=O)ccc1F ZINC000133849180 495070177 /nfs/dbraw/zinc/07/01/77/495070177.db2.gz JXSSSLDEZZRVPR-UHFFFAOYSA-N -1 3 374.319 3.075 20 0 FGADHM CCCOCc1ccccc1C[N-]S(=O)(=O)c1cccc(F)c1F ZINC000101572872 495080324 /nfs/dbraw/zinc/08/03/24/495080324.db2.gz LWUDLDDZMMULIT-UHFFFAOYSA-N -1 3 355.406 3.370 20 0 FGADHM Cc1oc(C(=O)[O-])cc1CN1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000580441018 505760200 /nfs/dbraw/zinc/76/02/00/505760200.db2.gz ZLWCRKKVJGHESY-FOIQADDNSA-N -1 3 371.437 3.175 20 0 FGADHM COc1ccc([O-])c(C(=O)Nc2ccc([C@@H](C)N3CCOCC3)cc2)c1 ZINC000111612110 495089828 /nfs/dbraw/zinc/08/98/28/495089828.db2.gz UDMFXUQCYMRZSW-CQSZACIVSA-N -1 3 356.422 3.046 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H]2CC(=O)c2ccccc2)c1 ZINC000123169826 495090791 /nfs/dbraw/zinc/09/07/91/495090791.db2.gz UWSLZRIGQFAOOZ-KRWDZBQOSA-N -1 3 366.417 3.228 20 0 FGADHM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2sccc2OC)C12CCCCC2 ZINC000123307847 495112203 /nfs/dbraw/zinc/11/22/03/495112203.db2.gz JMJISASLHGZMQC-KBPBESRZSA-N -1 3 359.513 3.163 20 0 FGADHM Cn1ncc2c1ncc(C(=O)N1CC(C)(C)c3c1cccc3Cl)c2[O-] ZINC000119189962 495114239 /nfs/dbraw/zinc/11/42/39/495114239.db2.gz PKRMNRUZFQGCTG-UHFFFAOYSA-N -1 3 356.813 3.265 20 0 FGADHM Cn1ncc2c1ncc(C(=O)N(CCc1ccccc1)C1CCCC1)c2[O-] ZINC000119188765 495114451 /nfs/dbraw/zinc/11/44/51/495114451.db2.gz FHTCZRQUNZFNFS-UHFFFAOYSA-N -1 3 364.449 3.301 20 0 FGADHM Cn1ncc2c1ncc(C(=O)Nc1ccc(Oc3ccncc3)cc1)c2[O-] ZINC000119193686 495114828 /nfs/dbraw/zinc/11/48/28/495114828.db2.gz SUGFBSBKTGSBSM-UHFFFAOYSA-N -1 3 361.361 3.114 20 0 FGADHM CCCO[C@@H]1CCCN(C(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)CC1 ZINC000134179509 495117939 /nfs/dbraw/zinc/11/79/39/495117939.db2.gz KOUJTKODSJBAOQ-OAHLLOKOSA-N -1 3 360.429 3.397 20 0 FGADHM CC(C)(NC(=O)c1cc([O-])c2ccccc2c1)c1nnc2n1CCCC2 ZINC000568724846 505762368 /nfs/dbraw/zinc/76/23/68/505762368.db2.gz SFCWRVHHRXANAV-UHFFFAOYSA-N -1 3 350.422 3.138 20 0 FGADHM C[C@@H](c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)N1CCOCC1 ZINC000111994773 495134909 /nfs/dbraw/zinc/13/49/09/495134909.db2.gz XUYOGVWLDNDSKX-AWEZNQCLSA-N -1 3 364.442 3.020 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc([C@@H](C)N3CCOCC3)cc2)c(C)c1 ZINC000111994953 495135020 /nfs/dbraw/zinc/13/50/20/495135020.db2.gz YDLPHEDZOOYIHV-QGZVFWFLSA-N -1 3 374.506 3.497 20 0 FGADHM CCCc1cc(C(=O)NCCCNC(=O)c2cccc([O-])c2)sc1C ZINC000102471597 495137790 /nfs/dbraw/zinc/13/77/90/495137790.db2.gz TWEHTUSHGIUOMQ-UHFFFAOYSA-N -1 3 360.479 3.265 20 0 FGADHM Cn1ncc2c1ncc(C(=O)N1CCC[C@H]1CCCc1ccccc1)c2[O-] ZINC000119379061 495154421 /nfs/dbraw/zinc/15/44/21/495154421.db2.gz PZZRBYTYLJPIOZ-MRXNPFEDSA-N -1 3 364.449 3.301 20 0 FGADHM CCCS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc(OC)cc2C)cc1 ZINC000102754717 495159114 /nfs/dbraw/zinc/15/91/14/495159114.db2.gz PERLOYLSMYHBCA-UHFFFAOYSA-N -1 3 362.451 3.408 20 0 FGADHM O=C(N[C@@H](CC(=O)N1CCC[C@H](F)C1)c1ccccc1)c1ccc([O-])cc1 ZINC000571575531 505764689 /nfs/dbraw/zinc/76/46/89/505764689.db2.gz UPESECIKOTVBIX-HKUYNNGSSA-N -1 3 370.424 3.214 20 0 FGADHM CC(C)S(=O)(=O)Cc1cccc(NC(=O)c2cc(-c3ccco3)[n-]n2)c1 ZINC000112324455 495175235 /nfs/dbraw/zinc/17/52/35/495175235.db2.gz CTNSWPZCWDEVTL-UHFFFAOYSA-N -1 3 373.434 3.245 20 0 FGADHM CC(C)S(=O)(=O)Cc1cccc(NC(=O)c2cc(-c3ccco3)n[n-]2)c1 ZINC000112324455 495175239 /nfs/dbraw/zinc/17/52/39/495175239.db2.gz CTNSWPZCWDEVTL-UHFFFAOYSA-N -1 3 373.434 3.245 20 0 FGADHM O=C(Nc1nccc2sccc21)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000129015302 495182431 /nfs/dbraw/zinc/18/24/31/495182431.db2.gz VOYHDCGMAJRYOP-AWEZNQCLSA-N -1 3 367.430 3.245 20 0 FGADHM O=C(Nc1nccc2sccc21)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000129015067 495182598 /nfs/dbraw/zinc/18/25/98/495182598.db2.gz VOYHDCGMAJRYOP-CQSZACIVSA-N -1 3 367.430 3.245 20 0 FGADHM O=c1cc(C(F)(F)F)nc(C[S@@](=O)Cc2cccc3cccnc32)[n-]1 ZINC000134655330 495182747 /nfs/dbraw/zinc/18/27/47/495182747.db2.gz LBKGAEDXNNZILC-RUZDIDTESA-N -1 3 367.352 3.198 20 0 FGADHM Cc1cc(O[C@@H](C)C(=O)Nc2cc(-c3nccn3C)[n-]n2)ccc1Cl ZINC000119553970 495190079 /nfs/dbraw/zinc/19/00/79/495190079.db2.gz RYHFEDVQXXXTKV-NSHDSACASA-N -1 3 359.817 3.178 20 0 FGADHM Cc1cc(O[C@@H](C)C(=O)Nc2cc(-c3nccn3C)n[n-]2)ccc1Cl ZINC000119553970 495190080 /nfs/dbraw/zinc/19/00/80/495190080.db2.gz RYHFEDVQXXXTKV-NSHDSACASA-N -1 3 359.817 3.178 20 0 FGADHM CCc1c(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)cnn1-c1ccc(C)cc1 ZINC000129226286 495213658 /nfs/dbraw/zinc/21/36/58/495213658.db2.gz BHNKBMLCMHGUTQ-UHFFFAOYSA-N -1 3 373.420 3.176 20 0 FGADHM CCc1c(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)cnn1-c1ccc(C)cc1 ZINC000129226286 495213661 /nfs/dbraw/zinc/21/36/61/495213661.db2.gz BHNKBMLCMHGUTQ-UHFFFAOYSA-N -1 3 373.420 3.176 20 0 FGADHM CC(C)[C@@H](c1ccccc1)N(C)C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000112712676 495227157 /nfs/dbraw/zinc/22/71/57/495227157.db2.gz NYDRVPVSLCASGF-KRWDZBQOSA-N -1 3 351.406 3.431 20 0 FGADHM O=S(=O)([N-][C@@H]1CCC[C@H]2OCC[C@@H]21)c1cccc(Cl)c1Cl ZINC000129323251 495228143 /nfs/dbraw/zinc/22/81/43/495228143.db2.gz UAIYJMJMBRPSFP-YUSALJHKSA-N -1 3 350.267 3.229 20 0 FGADHM C[C@H](NCc1nc2c3ccccc3oc2c(=O)[n-]1)c1ccc2c(c1)OCO2 ZINC000119763682 495235731 /nfs/dbraw/zinc/23/57/31/495235731.db2.gz CYLOWHPNMAQWJY-NSHDSACASA-N -1 3 363.373 3.249 20 0 FGADHM [O-]c1ccccc1-c1nc(CSc2nccn2Cc2ccccn2)no1 ZINC000112772810 495238749 /nfs/dbraw/zinc/23/87/49/495238749.db2.gz DEMOPUTZXOIQLM-UHFFFAOYSA-N -1 3 365.418 3.374 20 0 FGADHM Cc1cc(NC(=O)c2c[n-]nc2-c2ccc(Cl)cc2)ccc1C(N)=O ZINC000103527330 495246880 /nfs/dbraw/zinc/24/68/80/495246880.db2.gz RACOFRMFBOPCSW-UHFFFAOYSA-N -1 3 354.797 3.390 20 0 FGADHM CN1CCC2(CC1)C[C@@H](NC(=O)c1c([O-])cccc1F)c1ccccc1O2 ZINC000129469365 495249459 /nfs/dbraw/zinc/24/94/59/495249459.db2.gz UJBOXABBAVRHKF-MRXNPFEDSA-N -1 3 370.424 3.249 20 0 FGADHM Cc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3cccc([O-])c3F)C2)cc1 ZINC000129493628 495252690 /nfs/dbraw/zinc/25/26/90/495252690.db2.gz DRZAIVHVDPYGNP-OAHLLOKOSA-N -1 3 356.397 3.331 20 0 FGADHM O=C(Nc1ccc2c(c1)OCC(=O)N2)c1c[n-]nc1-c1cccc(Cl)c1 ZINC000124262124 495259482 /nfs/dbraw/zinc/25/94/82/495259482.db2.gz JJQDMKOVJVCUGX-UHFFFAOYSA-N -1 3 368.780 3.313 20 0 FGADHM O=C(Nc1nc(-c2cc(Br)cs2)cs1)c1cnn[n-]1 ZINC000112957460 495260148 /nfs/dbraw/zinc/26/01/48/495260148.db2.gz QTEIUSFUKBXAKD-UHFFFAOYSA-N -1 3 356.230 3.005 20 0 FGADHM O=C(Nc1nc(-c2cc(Br)cs2)cs1)c1c[n-]nn1 ZINC000112957460 495260152 /nfs/dbraw/zinc/26/01/52/495260152.db2.gz QTEIUSFUKBXAKD-UHFFFAOYSA-N -1 3 356.230 3.005 20 0 FGADHM O=C(Nc1nc(-c2cc(Br)cs2)cs1)c1cn[n-]n1 ZINC000112957460 495260155 /nfs/dbraw/zinc/26/01/55/495260155.db2.gz QTEIUSFUKBXAKD-UHFFFAOYSA-N -1 3 356.230 3.005 20 0 FGADHM Cc1ccc(-c2csc(NC(=O)c3ccc4c(c3)C(=O)[N-]C4=O)n2)cc1 ZINC000104138379 495269007 /nfs/dbraw/zinc/26/90/07/495269007.db2.gz JXYFTJNBRIJWGJ-UHFFFAOYSA-N -1 3 363.398 3.254 20 0 FGADHM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2F)ccc1F ZINC000135294032 495274266 /nfs/dbraw/zinc/27/42/66/495274266.db2.gz VWVFLDHQTMLIHO-UHFFFAOYSA-N -1 3 360.769 3.377 20 0 FGADHM Cc1noc2nc(C(C)C)cc(C(=O)Nc3ccc(-c4nnn[n-]4)cc3)c12 ZINC000104365656 495280540 /nfs/dbraw/zinc/28/05/40/495280540.db2.gz JVARAQZWMBNJRC-UHFFFAOYSA-N -1 3 363.381 3.087 20 0 FGADHM Cc1noc2nc(C(C)C)cc(C(=O)Nc3ccc(-c4nn[n-]n4)cc3)c12 ZINC000104365656 495280543 /nfs/dbraw/zinc/28/05/43/495280543.db2.gz 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ZINC000135562550 495311302 /nfs/dbraw/zinc/31/13/02/495311302.db2.gz NFMDLNBYLUQBNM-UHFFFAOYSA-N -1 3 366.406 3.068 20 0 FGADHM Cc1ccc(-c2nc(C(=O)Nc3ccc(Cc4nn[n-]n4)cc3)cs2)o1 ZINC000135562550 495311307 /nfs/dbraw/zinc/31/13/07/495311307.db2.gz NFMDLNBYLUQBNM-UHFFFAOYSA-N -1 3 366.406 3.068 20 0 FGADHM C[C@@H](NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)c1ccccc1C(F)(F)F ZINC000104863665 495311317 /nfs/dbraw/zinc/31/13/17/495311317.db2.gz XWVTWVHNELTGIR-SECBINFHSA-N -1 3 362.307 3.080 20 0 FGADHM Cc1ccccc1-c1noc(-c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)n1 ZINC000113728770 495327790 /nfs/dbraw/zinc/32/77/90/495327790.db2.gz OIBOIHGLXWGUKC-UHFFFAOYSA-N -1 3 373.409 3.292 20 0 FGADHM O=C1[N-][C@](c2ccccc2)(C(F)(F)F)C(=O)N1Cc1ccc(Cl)cn1 ZINC000120284114 495343718 /nfs/dbraw/zinc/34/37/18/495343718.db2.gz NFUPZTIWYHPNGQ-HNNXBMFYSA-N -1 3 369.730 3.245 20 0 FGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2ccoc2)cc1C(F)(F)F ZINC000130143159 495347885 /nfs/dbraw/zinc/34/78/85/495347885.db2.gz IEGLGVHYHHOELO-UHFFFAOYSA-N -1 3 362.329 3.312 20 0 FGADHM COc1ccccc1[C@H](CNC(=O)Cc1ccc([O-])cc1Cl)N(C)C ZINC000136058969 495352956 /nfs/dbraw/zinc/35/29/56/495352956.db2.gz KLRRLEZFVLELPC-KRWDZBQOSA-N -1 3 362.857 3.016 20 0 FGADHM COc1ccccc1[C@@H](CNC(=O)Cc1ccc([O-])cc1Cl)N(C)C ZINC000136058998 495353206 /nfs/dbraw/zinc/35/32/06/495353206.db2.gz KLRRLEZFVLELPC-QGZVFWFLSA-N -1 3 362.857 3.016 20 0 FGADHM Cc1ccc2c(c1)[C@H]([N-]S(=O)(=O)Cc1cc(Cl)ccc1F)CO2 ZINC000124877671 495358241 /nfs/dbraw/zinc/35/82/41/495358241.db2.gz OSLBNWDOEJQILT-OAHLLOKOSA-N -1 3 355.818 3.341 20 0 FGADHM COc1ccccc1-n1ncc(-c2nc(-c3ccc4n[n-]nc4c3)no2)c1C ZINC000571630913 505777432 /nfs/dbraw/zinc/77/74/32/505777432.db2.gz MDDNWJDOQKNCCY-UHFFFAOYSA-N -1 3 373.376 3.178 20 0 FGADHM O=C(Cc1ccc([O-])cc1Cl)NCCc1nc(C(F)(F)F)cs1 ZINC000136312442 495371064 /nfs/dbraw/zinc/37/10/64/495371064.db2.gz UNQLCTIYBFNOIC-UHFFFAOYSA-N -1 3 364.776 3.422 20 0 FGADHM CN(C)[C@H]1CCOc2c([N-]S(=O)(=O)CCC3CCCC3)cccc21 ZINC000577706570 505779627 /nfs/dbraw/zinc/77/96/27/505779627.db2.gz HARHBOSOVXPXPK-KRWDZBQOSA-N -1 3 352.500 3.394 20 0 FGADHM CC(C)(C)c1csc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])n1 ZINC000120557076 495405230 /nfs/dbraw/zinc/40/52/30/495405230.db2.gz YUILLRMORLFJQV-ZDUSSCGKSA-N -1 3 373.478 3.390 20 0 FGADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1ccc(Cl)c2cccnc12 ZINC000136980472 495414997 /nfs/dbraw/zinc/41/49/97/495414997.db2.gz RLMPDSNNMWKFON-UHFFFAOYSA-N -1 3 364.796 3.244 20 0 FGADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1ccc(Cl)c2cccnc12 ZINC000136980472 495414999 /nfs/dbraw/zinc/41/49/99/495414999.db2.gz RLMPDSNNMWKFON-UHFFFAOYSA-N -1 3 364.796 3.244 20 0 FGADHM COc1cc(F)c(CN[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc1OC ZINC000571645264 505781520 /nfs/dbraw/zinc/78/15/20/505781520.db2.gz CAWIHQZWKOEONU-KRWDZBQOSA-N -1 3 372.396 3.110 20 0 FGADHM CCc1cc2c(C[N@@H+](C)CCCn3ccnc3C)cc(=O)oc2cc1[O-] ZINC000130684394 495429310 /nfs/dbraw/zinc/42/93/10/495429310.db2.gz QSIFGTAEHQIZGY-UHFFFAOYSA-N -1 3 355.438 3.088 20 0 FGADHM CCc1cc2c(CN(C)CCCn3ccnc3C)cc(=O)oc2cc1[O-] ZINC000130684394 495429312 /nfs/dbraw/zinc/42/93/12/495429312.db2.gz QSIFGTAEHQIZGY-UHFFFAOYSA-N -1 3 355.438 3.088 20 0 FGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2ccc(F)cc2C)cc1OC ZINC000137349528 495437902 /nfs/dbraw/zinc/43/79/02/495437902.db2.gz LNDKUTFQVRVWSA-UHFFFAOYSA-N -1 3 366.414 3.157 20 0 FGADHM Cc1ccc(CS(=O)(=O)[N-][C@@H](COCC(C)C)c2ccco2)cc1 ZINC000574480171 505782794 /nfs/dbraw/zinc/78/27/94/505782794.db2.gz LQRCNSOMJKPFHT-KRWDZBQOSA-N -1 3 351.468 3.421 20 0 FGADHM O=S(=O)([N-]C[C@@H](CO)c1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000125481417 495450855 /nfs/dbraw/zinc/45/08/55/495450855.db2.gz NVLWMLPRJSJKKJ-LBPRGKRZSA-N -1 3 360.262 3.048 20 0 FGADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N[C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000120756522 495450958 /nfs/dbraw/zinc/45/09/58/495450958.db2.gz WLRAPDGUTOGAEL-KBXCAEBGSA-N -1 3 363.417 3.103 20 0 FGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)[C@@H](C)COc2ccccc2)c1 ZINC000131037244 495483230 /nfs/dbraw/zinc/48/32/30/495483230.db2.gz APRJGOWFXYWECC-AWEZNQCLSA-N -1 3 362.451 3.020 20 0 FGADHM CCc1cnc(S(=O)(=O)Cc2ncc(-c3ccccc3Cl)o2)[n-]1 ZINC000125744568 495491413 /nfs/dbraw/zinc/49/14/13/495491413.db2.gz VKPQKYJUEAKUAT-UHFFFAOYSA-N -1 3 351.815 3.254 20 0 FGADHM CCc1c[n-]c(S(=O)(=O)Cc2ncc(-c3ccccc3Cl)o2)n1 ZINC000125744568 495491415 /nfs/dbraw/zinc/49/14/15/495491415.db2.gz VKPQKYJUEAKUAT-UHFFFAOYSA-N -1 3 351.815 3.254 20 0 FGADHM C[C@H]([N-]S(=O)(=O)CCC1CC1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000120981105 495496555 /nfs/dbraw/zinc/49/65/55/495496555.db2.gz CLNRJMWPNDHAFB-JTQLQIEISA-N -1 3 355.847 3.171 20 0 FGADHM COc1c(C(=O)[N-]c2nnc(-c3cc(C)cc(C)c3)s2)c(C)nn1C ZINC000115458567 495507148 /nfs/dbraw/zinc/50/71/48/495507148.db2.gz GPMNEMKTXNCEJU-UHFFFAOYSA-N -1 3 357.439 3.125 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)OC(C)(C)C ZINC000125863535 495510203 /nfs/dbraw/zinc/51/02/03/495510203.db2.gz UDSRIRHNYLSQFN-MRVPVSSYSA-N -1 3 354.255 3.002 20 0 FGADHM CC(C)N(Cc1nc(=O)c2cc(-c3ccccc3)sc2[n-]1)C[C@H](C)O ZINC000107042126 495521087 /nfs/dbraw/zinc/52/10/87/495521087.db2.gz GHGOAERJXWSSDU-ZDUSSCGKSA-N -1 3 357.479 3.243 20 0 FGADHM Cc1nc(C)c(CC(=O)Nc2c(F)cccc2Oc2ccccc2)c(=O)[n-]1 ZINC000107269978 495524555 /nfs/dbraw/zinc/52/45/55/495524555.db2.gz VWOQZNATVZPVLL-UHFFFAOYSA-N -1 3 367.380 3.499 20 0 FGADHM C[C@H](c1ccc([S@](C)=O)cc1)N(C)Cc1cc(=O)oc2cc([O-])ccc12 ZINC000182387639 495542873 /nfs/dbraw/zinc/54/28/73/495542873.db2.gz SFIITSIXZWYEQJ-SRGMZFCMSA-N -1 3 371.458 3.429 20 0 FGADHM O=C([N-]c1nnc(C(F)F)s1)c1nn(-c2ccccc2)c2c1CCC2 ZINC000144550106 495546344 /nfs/dbraw/zinc/54/63/44/495546344.db2.gz ZBKKSWJLQQOIBH-UHFFFAOYSA-N -1 3 361.377 3.402 20 0 FGADHM Cc1cnc([C@@H]([N-]S(=O)(=O)c2ccccc2OC(F)F)C2CC2)s1 ZINC000173485813 495552402 /nfs/dbraw/zinc/55/24/02/495552402.db2.gz RFAYTZGOELUMRQ-ZDUSSCGKSA-N -1 3 374.434 3.483 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)[C@H]1COc2ccc(Br)cc21 ZINC000179361296 495560487 /nfs/dbraw/zinc/56/04/87/495560487.db2.gz MJVUQYNWSZVSRZ-LBPRGKRZSA-N -1 3 366.186 3.086 20 0 FGADHM O=C(NCc1ccc([O-])c(F)c1)[C@@H]1COc2ccc(Br)cc21 ZINC000179361286 495560825 /nfs/dbraw/zinc/56/08/25/495560825.db2.gz MJVUQYNWSZVSRZ-GFCCVEGCSA-N -1 3 366.186 3.086 20 0 FGADHM COc1cc(C)cc(C(=O)Nc2ccccc2C(=O)N2CCCC2)c1[O-] ZINC000179364427 495561652 /nfs/dbraw/zinc/56/16/52/495561652.db2.gz LFQJNSWMXONHPK-UHFFFAOYSA-N -1 3 354.406 3.198 20 0 FGADHM Cc1cc(C)c2[n-]cc(C(=O)Nc3nc4c(s3)COCC4)c(=O)c2c1 ZINC000185400651 495563472 /nfs/dbraw/zinc/56/34/72/495563472.db2.gz HRYVUTMZAJKDKC-UHFFFAOYSA-N -1 3 355.419 3.339 20 0 FGADHM O=c1cc(CN2CCC[C@@H]2C[C@@H](O)c2ccco2)c2ccc([O-])cc2o1 ZINC000182457738 495570472 /nfs/dbraw/zinc/57/04/72/495570472.db2.gz SRKWZWSBUYXLJT-RHSMWYFYSA-N -1 3 355.390 3.180 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NC[C@H]2CCC[C@H](C)C2)c1 ZINC000185433985 495576073 /nfs/dbraw/zinc/57/60/73/495576073.db2.gz TVVRAAGYECXICK-JSGCOSHPSA-N -1 3 371.437 3.497 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N(C)[C@@H](C)c2ccco2)c1 ZINC000179419519 495583873 /nfs/dbraw/zinc/58/38/73/495583873.db2.gz MOZOUJQPFBCOOM-NSHDSACASA-N -1 3 369.377 3.367 20 0 FGADHM CCOC[C@@H]1CCN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)C1 ZINC000176323099 495599679 /nfs/dbraw/zinc/59/96/79/495599679.db2.gz WBZNMHDZCDGEOT-GFCCVEGCSA-N -1 3 359.451 3.103 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2c(F)cccc2NC(C)C)cc1OC ZINC000158871531 495606502 /nfs/dbraw/zinc/60/65/02/495606502.db2.gz JKIPYDAHGUWIDE-UHFFFAOYSA-N -1 3 368.430 3.464 20 0 FGADHM CO[C@H]1CCCN(Cc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)C1 ZINC000170820890 495614159 /nfs/dbraw/zinc/61/41/59/495614159.db2.gz GCPFFHBMGPCFLD-AWEZNQCLSA-N -1 3 355.463 3.262 20 0 FGADHM Cc1ccccc1CCc1cc([N-]S(=O)(=O)Cc2ccccc2)n[nH]1 ZINC000182572195 495621332 /nfs/dbraw/zinc/62/13/32/495621332.db2.gz RYGJNUGFMIQJTI-UHFFFAOYSA-N -1 3 355.463 3.445 20 0 FGADHM CCN(C(=O)C(=O)[N-]c1scc(C2CC2)c1C(=O)OC)C1CCCC1 ZINC000176382105 495629459 /nfs/dbraw/zinc/62/94/59/495629459.db2.gz RWLKQDOXFSVLPI-UHFFFAOYSA-N -1 3 364.467 3.142 20 0 FGADHM Cn1cc([N-]S(=O)(=O)c2cc3cc(Cl)ccc3s2)ccc1=O ZINC000176460257 495657429 /nfs/dbraw/zinc/65/74/29/495657429.db2.gz KFQHJFBLVJRKCH-UHFFFAOYSA-N -1 3 354.840 3.054 20 0 FGADHM C[C@H](CC(=O)Nc1ccc(Cl)cc1[O-])S(=O)(=O)c1ccc(F)cc1 ZINC000179642378 495673274 /nfs/dbraw/zinc/67/32/74/495673274.db2.gz BMNMSLHBMODQJH-SNVBAGLBSA-N -1 3 371.817 3.376 20 0 FGADHM O=C(NCc1ccccc1)NC1(C(=O)Nc2cc(F)ccc2[O-])CCCC1 ZINC000179647396 495675806 /nfs/dbraw/zinc/67/58/06/495675806.db2.gz JGYRJQQNAIHJBV-UHFFFAOYSA-N -1 3 371.412 3.282 20 0 FGADHM O=C(N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)c1c[n-]c2ccccc2c1=O ZINC000182721024 495676861 /nfs/dbraw/zinc/67/68/61/495676861.db2.gz TVEIRSKRIRNLJC-MJGOQNOKSA-N -1 3 370.355 3.066 20 0 FGADHM CSc1cc(C(=O)Nc2ccc(F)c([N-]S(C)(=O)=O)c2)ccc1F ZINC000179669752 495684200 /nfs/dbraw/zinc/68/42/00/495684200.db2.gz KWVZNUJXWCKBPI-UHFFFAOYSA-N -1 3 372.418 3.311 20 0 FGADHM CN1C(=O)c2cc(Br)ccc2N[C@@H]1c1ccc([O-])c(F)c1 ZINC000159222412 495686443 /nfs/dbraw/zinc/68/64/43/495686443.db2.gz LMROQUWMPKXKLA-AWEZNQCLSA-N -1 3 351.175 3.490 20 0 FGADHM O=C(c1ccc2c(c1[O-])CCCC2)N(Cc1ccncc1)C[C@H]1CCCO1 ZINC000185728361 495700089 /nfs/dbraw/zinc/70/00/89/495700089.db2.gz HQOLFEMONIQEGK-GOSISDBHSA-N -1 3 366.461 3.487 20 0 FGADHM CC1C[C@@H](C(=O)Nc2ccccc2[O-])[C@H](C(=O)Nc2ccccc2O)C1 ZINC000185732118 495700917 /nfs/dbraw/zinc/70/09/17/495700917.db2.gz GYECIHDZCFRYBL-ZIAGYGMSSA-N -1 3 354.406 3.337 20 0 FGADHM CCCCOc1ccc(NC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C)c(C)c1 ZINC000159291176 495702727 /nfs/dbraw/zinc/70/27/27/495702727.db2.gz GXDVNYVMNARJEH-INIZCTEOSA-N -1 3 370.515 3.076 20 0 FGADHM CCc1cnc(C[N-]S(=O)(=O)c2cc3c(c(Cl)c2)O[C@@H](C)C3)s1 ZINC000173816212 495705042 /nfs/dbraw/zinc/70/50/42/495705042.db2.gz MPARFWWMEMCFRG-VIFPVBQESA-N -1 3 372.899 3.161 20 0 FGADHM Cc1nn2c(nnc2S[C@@H](C)C(=O)c2ccc(C(C)C)cc2)[n-]c1=O ZINC000151018820 495713494 /nfs/dbraw/zinc/71/34/94/495713494.db2.gz ODEHYCADFPKUSX-NSHDSACASA-N -1 3 357.439 3.020 20 0 FGADHM C[C@@H](C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)c1ccccc1 ZINC000182817285 495714891 /nfs/dbraw/zinc/71/48/91/495714891.db2.gz WHMLOLFTGWDVPN-GFCCVEGCSA-N -1 3 362.426 3.009 20 0 FGADHM COc1ccc([O-])c(C(=O)NCCc2coc(-c3ccc(C)cc3)n2)c1 ZINC000171119288 495732319 /nfs/dbraw/zinc/73/23/19/495732319.db2.gz SAZYSNRWBFMMQE-UHFFFAOYSA-N -1 3 352.390 3.337 20 0 FGADHM COc1ccc(C(=O)N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c([O-])c1 ZINC000182877200 495738001 /nfs/dbraw/zinc/73/80/01/495738001.db2.gz KGHLZZCXDBSAQD-NSHDSACASA-N -1 3 369.343 3.093 20 0 FGADHM CC(=O)N[C@H](CC(=O)N1CCCc2cccc([O-])c21)c1ccc(C)cc1 ZINC000182917954 495756511 /nfs/dbraw/zinc/75/65/11/495756511.db2.gz RNRKDRUBIJVQDB-GOSISDBHSA-N -1 3 352.434 3.247 20 0 FGADHM CC(=O)NCCc1ccc(S(=O)(=O)[N-]CCCCC2CCCC2)s1 ZINC000173947531 495757911 /nfs/dbraw/zinc/75/79/11/495757911.db2.gz IAOJPMDTFMOMHJ-UHFFFAOYSA-N -1 3 372.556 3.066 20 0 FGADHM CCOc1ccccc1N1CCN(C(=O)c2cc([O-])ccc2Cl)CC1 ZINC000568894656 505802557 /nfs/dbraw/zinc/80/25/57/505802557.db2.gz UPADHRHQRXZVSZ-UHFFFAOYSA-N -1 3 360.841 3.407 20 0 FGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)c2cccc(-n3cccc3)c2)c1 ZINC000173982741 495775413 /nfs/dbraw/zinc/77/54/13/495775413.db2.gz KJEHUCVBCGGGLB-UHFFFAOYSA-N -1 3 369.446 3.410 20 0 FGADHM O=C(Nc1nnc(-c2ccccn2)[n-]1)[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000151290553 495796619 /nfs/dbraw/zinc/79/66/19/495796619.db2.gz KMYXSHMPLVISGT-NXEZZACHSA-N -1 3 357.776 3.401 20 0 FGADHM O=C(Nc1nc(-c2ccccn2)n[n-]1)[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000151290553 495796621 /nfs/dbraw/zinc/79/66/21/495796621.db2.gz KMYXSHMPLVISGT-NXEZZACHSA-N -1 3 357.776 3.401 20 0 FGADHM O=C(Nc1n[n-]c(-c2ccccn2)n1)[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000151290553 495796627 /nfs/dbraw/zinc/79/66/27/495796627.db2.gz KMYXSHMPLVISGT-NXEZZACHSA-N -1 3 357.776 3.401 20 0 FGADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCC(=O)N3)c(C)c1 ZINC000171267530 495796981 /nfs/dbraw/zinc/79/69/81/495796981.db2.gz LFXVPEWKKXACQW-UHFFFAOYSA-N -1 3 374.462 3.469 20 0 FGADHM Cc1ccc(C(=O)Nc2ccc(F)c([N-]S(C)(=O)=O)c2)cc1Cl ZINC000171273815 495800055 /nfs/dbraw/zinc/80/00/55/495800055.db2.gz YUGSVBVVEYBMAQ-UHFFFAOYSA-N -1 3 356.806 3.411 20 0 FGADHM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)C)c2)c1Cl ZINC000174052480 495802725 /nfs/dbraw/zinc/80/27/25/495802725.db2.gz WEJCDABBJLMMFS-UHFFFAOYSA-N -1 3 352.843 3.151 20 0 FGADHM Cc1nc(C)c(S(=O)(=O)[N-]Cc2sccc2Br)s1 ZINC000176854633 495813030 /nfs/dbraw/zinc/81/30/30/495813030.db2.gz MHSBWYLUJDTMNR-UHFFFAOYSA-N -1 3 367.315 3.062 20 0 FGADHM CCc1nc(COc2ccc(C(=O)Nc3c(C)cccc3[O-])cc2)no1 ZINC000183057214 495817026 /nfs/dbraw/zinc/81/70/26/495817026.db2.gz GTCHEWUCJOHIRE-UHFFFAOYSA-N -1 3 353.378 3.477 20 0 FGADHM Cc1nc(C)c(S(=O)(=O)[N-][C@@H](c2ccccc2)c2cccnc2)s1 ZINC000176913773 495839087 /nfs/dbraw/zinc/83/90/87/495839087.db2.gz ZZYLWSSFHYRWON-INIZCTEOSA-N -1 3 359.476 3.223 20 0 FGADHM O=C(NCc1cc2cc(Br)ccc2[nH]1)c1ccc2n[n-]nc2c1 ZINC000186055839 495839304 /nfs/dbraw/zinc/83/93/04/495839304.db2.gz NVKMGJDHHXZMKY-UHFFFAOYSA-N -1 3 370.210 3.132 20 0 FGADHM C[C@H]1C[C@H](NC(=O)c2cc(F)c(F)c([O-])c2F)CN1Cc1ccccc1 ZINC000183140668 495851934 /nfs/dbraw/zinc/85/19/34/495851934.db2.gz FQJJRCIOOMTKTK-AAEUAGOBSA-N -1 3 364.367 3.202 20 0 FGADHM O=S(=O)(C[C@H]1CCCCO1)[N-]c1ccc(Cl)c(OC(F)F)c1 ZINC000183146223 495853929 /nfs/dbraw/zinc/85/39/29/495853929.db2.gz ZLSKUVLRDHQNNA-SNVBAGLBSA-N -1 3 355.790 3.252 20 0 FGADHM Cc1c([O-])ccc2c(CN[C@H](C[S@@](C)=O)c3ccccc3)cc(=O)oc12 ZINC000183147405 495854498 /nfs/dbraw/zinc/85/44/98/495854498.db2.gz VKTCQZNYMKTKHF-WGDIFIGCSA-N -1 3 371.458 3.016 20 0 FGADHM O=S(=O)(CCc1cccs1)[N-]c1ccc(OC(F)(F)F)cc1[O-] ZINC000568925246 505808911 /nfs/dbraw/zinc/80/89/11/505808911.db2.gz DWWBNBSBGHWOAD-UHFFFAOYSA-N -1 3 367.370 3.337 20 0 FGADHM O=S(=O)(CCc1cccs1)[N-]c1ccc(OC(F)(F)F)cc1O ZINC000568925246 505808914 /nfs/dbraw/zinc/80/89/14/505808914.db2.gz DWWBNBSBGHWOAD-UHFFFAOYSA-N -1 3 367.370 3.337 20 0 FGADHM C[C@@H]1C[C@@H](NC(=O)c2cc(F)c([O-])c(F)c2)CCN1Cc1ccccc1 ZINC000180132229 495871980 /nfs/dbraw/zinc/87/19/80/495871980.db2.gz JTYCLICQMKOONU-CJNGLKHVSA-N -1 3 360.404 3.453 20 0 FGADHM CC(C)Oc1ccc(S(=O)(=O)[N-]c2cccc(-n3ccnc3)c2)cc1 ZINC000180136248 495873852 /nfs/dbraw/zinc/87/38/52/495873852.db2.gz UINRHZFWSNQLLA-UHFFFAOYSA-N -1 3 357.435 3.460 20 0 FGADHM CC(C)C[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000186181411 495887379 /nfs/dbraw/zinc/88/73/79/495887379.db2.gz QSBGHJSAKMNBJI-CQSZACIVSA-N -1 3 361.891 3.222 20 0 FGADHM Cc1cccc(F)c1S(=O)(=O)[N-]Cc1coc(-c2cccs2)n1 ZINC000186208260 495896702 /nfs/dbraw/zinc/89/67/02/495896702.db2.gz OPOMBACJVGCMDO-UHFFFAOYSA-N -1 3 352.412 3.329 20 0 FGADHM CC(C)(C)OCc1cc(C[N-]S(=O)(=O)c2ccccc2Cl)no1 ZINC000186215378 495899005 /nfs/dbraw/zinc/89/90/05/495899005.db2.gz UKVUGOLKEQBSID-UHFFFAOYSA-N -1 3 358.847 3.122 20 0 FGADHM CS(=O)(=O)[N-]c1cc(NC(=O)c2cccn2C2CCCC2)ccc1F ZINC000180197414 495901676 /nfs/dbraw/zinc/90/16/76/495901676.db2.gz GCFCTRBPMLVIOL-UHFFFAOYSA-N -1 3 365.430 3.366 20 0 FGADHM CC(C)Cn1nc(C(=O)Nc2ccc([O-])cc2F)c2ccccc2c1=O ZINC000183256951 495903555 /nfs/dbraw/zinc/90/35/55/495903555.db2.gz BZDUTFGMNMDNFD-UHFFFAOYSA-N -1 3 355.369 3.150 20 0 FGADHM C[C@@H]1CCCC[C@H]1OCC(=O)NCc1ccc([O-])c(Br)c1 ZINC000151647619 495905748 /nfs/dbraw/zinc/90/57/48/495905748.db2.gz FBBWMXWBQOEYGL-IAQYHMDHSA-N -1 3 356.260 3.366 20 0 FGADHM COc1ccc(-c2noc(CCC(=O)Nc3ccc([O-])cc3F)n2)cc1 ZINC000183281022 495914377 /nfs/dbraw/zinc/91/43/77/495914377.db2.gz OFRYXRJVANPGBN-UHFFFAOYSA-N -1 3 357.341 3.161 20 0 FGADHM CCOC(=O)c1cc(NC(=O)[C@H]2C[C@H]2c2c(F)cccc2Cl)n[n-]1 ZINC000183284183 495914635 /nfs/dbraw/zinc/91/46/35/495914635.db2.gz GBGXPSKCRGJNTP-BDAKNGLRSA-N -1 3 351.765 3.121 20 0 FGADHM CCOC(=O)c1cc(NC(=O)[C@H]2C[C@H]2c2c(F)cccc2Cl)[n-]n1 ZINC000183284183 495914637 /nfs/dbraw/zinc/91/46/37/495914637.db2.gz GBGXPSKCRGJNTP-BDAKNGLRSA-N -1 3 351.765 3.121 20 0 FGADHM Cn1ccnc1C[C@@H]1CCCN(C(=O)c2ccc3c(c2[O-])CCCC3)C1 ZINC000183298129 495919563 /nfs/dbraw/zinc/91/95/63/495919563.db2.gz QWMDPRFYOGYWDQ-HNNXBMFYSA-N -1 3 353.466 3.099 20 0 FGADHM Cc1nc([N-]C(=O)c2cc3c(C)nn(Cc4ccccc4)c3s2)n[nH]1 ZINC000171547089 495921779 /nfs/dbraw/zinc/92/17/79/495921779.db2.gz CZLBHOUGCLDTJP-UHFFFAOYSA-N -1 3 352.423 3.133 20 0 FGADHM O=C(c1ccccc1[O-])N1CCN([C@H]2CCCc3ccc(F)cc32)CC1 ZINC000151739046 495933144 /nfs/dbraw/zinc/93/31/44/495933144.db2.gz YCWPWXRFCDYUOO-IBGZPJMESA-N -1 3 354.425 3.367 20 0 FGADHM Cc1nc2ccccc2n1CCCNC(=O)NCc1ccc([O-])c(F)c1 ZINC000155390927 495942179 /nfs/dbraw/zinc/94/21/79/495942179.db2.gz IJPHZKFQMCIVBT-UHFFFAOYSA-N -1 3 356.401 3.079 20 0 FGADHM O=C(c1cc(F)c([O-])c(F)c1)N1CCCN(CCCc2ccccc2)CC1 ZINC000177138821 495944457 /nfs/dbraw/zinc/94/44/57/495944457.db2.gz YEBHHEHBWZZXCS-UHFFFAOYSA-N -1 3 374.431 3.451 20 0 FGADHM COc1ccc([O-])c(C(=O)N2CCO[C@H](c3ccc(F)cc3Cl)C2)c1 ZINC000186321337 495947358 /nfs/dbraw/zinc/94/73/58/495947358.db2.gz AASCPRUKRKZHCZ-KRWDZBQOSA-N -1 3 365.788 3.407 20 0 FGADHM O=C(Cc1ccc(Br)cc1[O-])N[C@@H](C1CC1)C(F)(F)F ZINC000580665631 505809499 /nfs/dbraw/zinc/80/94/99/505809499.db2.gz GXBQAXWDNRWPKA-LBPRGKRZSA-N -1 3 352.150 3.154 20 0 FGADHM Cc1noc(-c2ccccc2)c1[N-]C(=O)c1ccc2c(c1)C(=O)N(C)C2=O ZINC000183369624 495951064 /nfs/dbraw/zinc/95/10/64/495951064.db2.gz RMYWIAFRSOJTDV-UHFFFAOYSA-N -1 3 361.357 3.128 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]Cc2ccc(NC(=O)C(C)C)cc2)c(F)c1 ZINC000171629072 495955285 /nfs/dbraw/zinc/95/52/85/495955285.db2.gz CWNMMTHFTGKVQP-UHFFFAOYSA-N -1 3 364.442 3.207 20 0 FGADHM CCN(CC)C(=O)c1ccc(NC(=O)c2cccc3nn[n-]c32)cc1Cl ZINC000183394521 495962183 /nfs/dbraw/zinc/96/21/83/495962183.db2.gz LGDMNDIXAUCHKU-UHFFFAOYSA-N -1 3 371.828 3.346 20 0 FGADHM CCN(CC)C(=O)c1ccc(NC(=O)c2cccc3[n-]nnc32)cc1Cl ZINC000183394521 495962188 /nfs/dbraw/zinc/96/21/88/495962188.db2.gz LGDMNDIXAUCHKU-UHFFFAOYSA-N -1 3 371.828 3.346 20 0 FGADHM CCN(CC)C(=O)c1ccc(NC(=O)c2cccc3n[n-]nc32)cc1Cl 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COc1ccc([C@H]2[C@H](C(=O)Nc3ccc(Cl)cc3[O-])CC(=O)N2C)cc1 ZINC000153552751 496495774 /nfs/dbraw/zinc/49/57/74/496495774.db2.gz ALGVEXMTBJXBAP-KDOFPFPSSA-N -1 3 374.824 3.212 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)c1ccc(OC)c(F)c1C)c1nc(C)cs1 ZINC000181676148 496497981 /nfs/dbraw/zinc/49/79/81/496497981.db2.gz SWYIGOSMAJDLHG-NSHDSACASA-N -1 3 358.460 3.337 20 0 FGADHM Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCO[C@@H](c3ccccc3)C2)cc1F ZINC000163321290 496499364 /nfs/dbraw/zinc/49/93/64/496499364.db2.gz YUZRZKXWXWAYAU-RHSMWYFYSA-N -1 3 367.417 3.472 20 0 FGADHM COC(=O)c1cnc(SCC(=O)N[C@@H](CC(C)C)c2ccccc2)[n-]1 ZINC000187587736 496500090 /nfs/dbraw/zinc/50/00/90/496500090.db2.gz RWIWMANAXBXYOS-AWEZNQCLSA-N -1 3 361.467 3.192 20 0 FGADHM COC(=O)c1cnc(SCC(=O)Nc2cccc(Cl)c2Cl)[n-]1 ZINC000187591114 496502960 /nfs/dbraw/zinc/50/29/60/496502960.db2.gz SPDIOXHRTTYSCH-UHFFFAOYSA-N -1 3 360.222 3.234 20 0 FGADHM COC(=O)c1cnc(SCc2cccc(C(=O)N3CCCCC3)c2)[n-]1 ZINC000187593350 496503184 /nfs/dbraw/zinc/50/31/84/496503184.db2.gz NKQARVZEMVMNRJ-UHFFFAOYSA-N -1 3 359.451 3.115 20 0 FGADHM COC(=O)[C@@H](C)[C@@H]([N-]S(=O)(=O)c1ccccc1Cl)c1ccccc1 ZINC000175706178 496508095 /nfs/dbraw/zinc/50/80/95/496508095.db2.gz NELMMRNFXHSCCZ-BLLLJJGKSA-N -1 3 367.854 3.169 20 0 FGADHM Cc1ccc(-c2cc(C(=O)Nc3cccc(N4CCCNC4=O)c3)n[n-]2)o1 ZINC000172984153 496509622 /nfs/dbraw/zinc/50/96/22/496509622.db2.gz QUPFGLYHEPXGJL-UHFFFAOYSA-N -1 3 365.393 3.150 20 0 FGADHM Cc1ccc(-c2cc(C(=O)Nc3cccc(N4CCCNC4=O)c3)[n-]n2)o1 ZINC000172984153 496509625 /nfs/dbraw/zinc/50/96/25/496509625.db2.gz QUPFGLYHEPXGJL-UHFFFAOYSA-N -1 3 365.393 3.150 20 0 FGADHM O=S(=O)([N-][C@@H]1CCO[C@@H](c2ccccc2)C1)c1ccc(F)cc1F ZINC000163410611 496512627 /nfs/dbraw/zinc/51/26/27/496512627.db2.gz FQVHQFYWUJSCPX-GDBMZVCRSA-N -1 3 353.390 3.163 20 0 FGADHM O=C(Nc1cccc(NC(=O)c2cccc3nn[n-]c32)c1)c1ccccc1 ZINC000163544204 496530326 /nfs/dbraw/zinc/53/03/26/496530326.db2.gz QWXHYJBDGRKCGW-UHFFFAOYSA-N -1 3 357.373 3.463 20 0 FGADHM O=C(Nc1cccc(NC(=O)c2cccc3[n-]nnc32)c1)c1ccccc1 ZINC000163544204 496530330 /nfs/dbraw/zinc/53/03/30/496530330.db2.gz QWXHYJBDGRKCGW-UHFFFAOYSA-N -1 3 357.373 3.463 20 0 FGADHM O=C(Nc1cccc(NC(=O)c2cccc3n[n-]nc32)c1)c1ccccc1 ZINC000163544204 496530337 /nfs/dbraw/zinc/53/03/37/496530337.db2.gz QWXHYJBDGRKCGW-UHFFFAOYSA-N -1 3 357.373 3.463 20 0 FGADHM C[C@H](NC(=O)c1cccc2nn[n-]c21)c1cccc(OCc2ccccn2)c1 ZINC000163554993 496531580 /nfs/dbraw/zinc/53/15/80/496531580.db2.gz QSMOPUCCRAIODX-AWEZNQCLSA-N -1 3 373.416 3.423 20 0 FGADHM C[C@H](NC(=O)c1cccc2[n-]nnc21)c1cccc(OCc2ccccn2)c1 ZINC000163554993 496531583 /nfs/dbraw/zinc/53/15/83/496531583.db2.gz QSMOPUCCRAIODX-AWEZNQCLSA-N -1 3 373.416 3.423 20 0 FGADHM C[C@H](NC(=O)c1cccc2n[n-]nc21)c1cccc(OCc2ccccn2)c1 ZINC000163554993 496531591 /nfs/dbraw/zinc/53/15/91/496531591.db2.gz QSMOPUCCRAIODX-AWEZNQCLSA-N -1 3 373.416 3.423 20 0 FGADHM CCCCS(=O)(=O)[N-]C1(c2noc([C@@H]3CCCO3)n2)CCCCCC1 ZINC000163588655 496535232 /nfs/dbraw/zinc/53/52/32/496535232.db2.gz BXPIMECBQYSLRZ-AWEZNQCLSA-N -1 3 371.503 3.190 20 0 FGADHM CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1ncccc1[O-] ZINC000153688148 496546099 /nfs/dbraw/zinc/54/60/99/496546099.db2.gz CPQVQMOJNVANFH-UHFFFAOYSA-N -1 3 367.371 3.010 20 0 FGADHM COC(=O)c1[nH]c(C)c(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)c1C ZINC000153698450 496548894 /nfs/dbraw/zinc/54/88/94/496548894.db2.gz ZBBJWYAUGKAPKI-UHFFFAOYSA-N -1 3 356.300 3.395 20 0 FGADHM O=C(c1cccc2[n-]nnc21)N(Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC000187736664 496551587 /nfs/dbraw/zinc/55/15/87/496551587.db2.gz BQTCDKTXZHGUDG-UHFFFAOYSA-N -1 3 362.433 3.478 20 0 FGADHM O=C(c1cccc2nn[n-]c21)N(Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC000187736664 496551591 /nfs/dbraw/zinc/55/15/91/496551591.db2.gz BQTCDKTXZHGUDG-UHFFFAOYSA-N -1 3 362.433 3.478 20 0 FGADHM O=C(c1cccc2n[n-]nc21)N(Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC000187736664 496551594 /nfs/dbraw/zinc/55/15/94/496551594.db2.gz BQTCDKTXZHGUDG-UHFFFAOYSA-N -1 3 362.433 3.478 20 0 FGADHM COc1cc(C)cc(-c2nc(-c3cnn4c3nc(C)cc4C)no2)c1[O-] ZINC000184847611 496555488 /nfs/dbraw/zinc/55/54/88/496555488.db2.gz XYNIQZVURDGBHL-UHFFFAOYSA-N -1 3 351.366 3.086 20 0 FGADHM C[C@H]1Oc2c(cccc2C(=O)Nc2cc(C(F)(F)F)ccc2[O-])NC1=O ZINC000175822341 496560313 /nfs/dbraw/zinc/56/03/13/496560313.db2.gz KEAWVTUYVHHFJH-MRVPVSSYSA-N -1 3 366.295 3.383 20 0 FGADHM COc1ccccc1-c1nc(NC(=O)[C@@H]2COc3cc(C)c(C)cc32)n[n-]1 ZINC000184862470 496562652 /nfs/dbraw/zinc/56/26/52/496562652.db2.gz NWKLQZQCSWEEHL-OAHLLOKOSA-N -1 3 364.405 3.212 20 0 FGADHM CC(C)(C)C[C@@H](O)C[N-]S(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000178773540 496565012 /nfs/dbraw/zinc/56/50/12/496565012.db2.gz ASGORCHQIZVHSI-SNVBAGLBSA-N -1 3 354.299 3.210 20 0 FGADHM O=C(N[C@H](c1ccccc1)c1ccc2[nH]cnc2c1)c1ccc(O)cc1[O-] ZINC000181833320 496565265 /nfs/dbraw/zinc/56/52/65/496565265.db2.gz NDBZTPFDPGJSLK-HXUWFJFHSA-N -1 3 359.385 3.494 20 0 FGADHM O=C(N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1)c1ccc(O)cc1[O-] ZINC000181833320 496565270 /nfs/dbraw/zinc/56/52/70/496565270.db2.gz NDBZTPFDPGJSLK-HXUWFJFHSA-N -1 3 359.385 3.494 20 0 FGADHM C/C=C/C[C@H](CO)[N-]S(=O)(=O)c1cc(Cl)ccc1OCCC1CC1 ZINC000187799226 496577190 /nfs/dbraw/zinc/57/71/90/496577190.db2.gz SNISIFVINHOEFL-XYBNCVKDSA-N -1 3 373.902 3.124 20 0 FGADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]Cc1ccc2cnn(C)c2c1 ZINC000578061039 505853050 /nfs/dbraw/zinc/85/30/50/505853050.db2.gz GUQDMJXUFMXYHK-UHFFFAOYSA-N -1 3 373.409 3.246 20 0 FGADHM COC(C)(C)C[C@@H](C)[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000184933955 496591330 /nfs/dbraw/zinc/59/13/30/496591330.db2.gz HPWPCBYGTJZLNY-SECBINFHSA-N -1 3 368.268 3.070 20 0 FGADHM CCS(=O)(=O)c1cccc(C(=O)Nc2cc(Cl)cc(C)c2[O-])c1 ZINC000153826965 496593379 /nfs/dbraw/zinc/59/33/79/496593379.db2.gz LUFHTYBWRVDETA-UHFFFAOYSA-N -1 3 353.827 3.400 20 0 FGADHM CN1CC[C@@H]([N-]S(=O)(=O)c2ccc(Cl)s2)[C@@H]1c1ccccc1 ZINC000178948683 496626037 /nfs/dbraw/zinc/62/60/37/496626037.db2.gz MQLGHHFFHHUMCE-DOMZBBRYSA-N -1 3 356.900 3.125 20 0 FGADHM O=C([N-]c1nnc(-c2ccsc2)s1)c1cn(Cc2cccs2)nn1 ZINC000175982394 496630570 /nfs/dbraw/zinc/63/05/70/496630570.db2.gz HRJCHXNBBNUTKL-UHFFFAOYSA-N -1 3 374.476 3.220 20 0 FGADHM CCc1onc(C)c1[N-]C(=O)c1cn(-c2cccc(C(F)(F)F)c2)nn1 ZINC000153963705 496637730 /nfs/dbraw/zinc/63/77/30/496637730.db2.gz RNHFCCRTTMMCRU-UHFFFAOYSA-N -1 3 365.315 3.397 20 0 FGADHM Cc1nccn1CCCC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000173312926 496638300 /nfs/dbraw/zinc/63/83/00/496638300.db2.gz WELFCAUCHCGHPI-UHFFFAOYSA-N -1 3 362.282 3.257 20 0 FGADHM Cc1nc(C)c(CC(=O)N[C@@H](c2cccc(F)c2)C2CCCC2)c(=O)[n-]1 ZINC000165146924 496650205 /nfs/dbraw/zinc/65/02/05/496650205.db2.gz JMDRXOHHBPSDTL-LJQANCHMSA-N -1 3 357.429 3.116 20 0 FGADHM CCOC(=O)CC[C@@H]1CCCN(C(=O)c2c[n-]c3c(C)cccc3c2=O)C1 ZINC000165277807 496654084 /nfs/dbraw/zinc/65/40/84/496654084.db2.gz QIEBRVCVUXEMJD-HNNXBMFYSA-N -1 3 370.449 3.444 20 0 FGADHM O=C(Nc1cc(F)ccc1NC(=O)c1ccccn1)c1cccc([O-])c1 ZINC000182080920 496662118 /nfs/dbraw/zinc/66/21/18/496662118.db2.gz OIOWLYCCSWZHND-UHFFFAOYSA-N -1 3 351.337 3.431 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2cc(CN(C)C)ccc2C)cc1F ZINC000154037977 496663633 /nfs/dbraw/zinc/66/36/33/496663633.db2.gz UZQLMALGGBUSOF-UHFFFAOYSA-N -1 3 352.431 3.005 20 0 FGADHM O=C([O-])c1ccc(CN2CCC[C@@H]3COCC[C@@H]32)c(Br)c1 ZINC000569130776 505859685 /nfs/dbraw/zinc/85/96/85/505859685.db2.gz YIZGHMFRFPYZSY-HIFRSBDPSA-N -1 3 354.244 3.148 20 0 FGADHM Cc1nc([C@H](NC(=O)/C=C/c2cncc([O-])c2)c2ccc(Cl)cc2)no1 ZINC000182179621 496698552 /nfs/dbraw/zinc/69/85/52/496698552.db2.gz LPMASNACBDTYDA-WJCMJQHKSA-N -1 3 370.796 3.051 20 0 FGADHM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)cc2)c1 ZINC000158444366 496702939 /nfs/dbraw/zinc/70/29/39/496702939.db2.gz RVMUGKAKAWYHQH-UHFFFAOYSA-N -1 3 355.419 3.266 20 0 FGADHM C[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2cccc3[n-]nnc32)CC1 ZINC000188181377 496710150 /nfs/dbraw/zinc/71/01/50/496710150.db2.gz NDKNMHXHCJKTMG-ZDUSSCGKSA-N -1 3 369.856 3.130 20 0 FGADHM C[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2cccc3nn[n-]c32)CC1 ZINC000188181377 496710152 /nfs/dbraw/zinc/71/01/52/496710152.db2.gz NDKNMHXHCJKTMG-ZDUSSCGKSA-N -1 3 369.856 3.130 20 0 FGADHM C[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2cccc3n[n-]nc32)CC1 ZINC000188181377 496710159 /nfs/dbraw/zinc/71/01/59/496710159.db2.gz NDKNMHXHCJKTMG-ZDUSSCGKSA-N -1 3 369.856 3.130 20 0 FGADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)Cc3ccc(O)cc3Cl)cc2)n1 ZINC000182231080 496715341 /nfs/dbraw/zinc/71/53/41/496715341.db2.gz GITSTHNCDYOEMD-UHFFFAOYSA-N -1 3 369.808 3.286 20 0 FGADHM O=S(=O)(Cc1cccc(F)c1)[N-]c1ccc2nnc(C3CCC3)n2c1 ZINC000188236910 496721252 /nfs/dbraw/zinc/72/12/52/496721252.db2.gz KHOKFMDTEWZJFZ-UHFFFAOYSA-N -1 3 360.414 3.078 20 0 FGADHM CCc1ccc(NC(=O)c2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)cc1CC ZINC000182286005 496726547 /nfs/dbraw/zinc/72/65/47/496726547.db2.gz GRAIDUVQULBDIA-NRFANRHFSA-N -1 3 365.433 3.118 20 0 FGADHM Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)NCc1ccc([O-])c(F)c1 ZINC000182346013 496730594 /nfs/dbraw/zinc/73/05/94/496730594.db2.gz GRLSNWUEDYGOQL-VIFPVBQESA-N -1 3 373.350 3.327 20 0 FGADHM CN(CCOCC1CC1)C(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000188351390 496759857 /nfs/dbraw/zinc/75/98/57/496759857.db2.gz DNHNUAGETGTCDI-UHFFFAOYSA-N -1 3 353.418 3.122 20 0 FGADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000277418139 496766461 /nfs/dbraw/zinc/76/64/61/496766461.db2.gz HERQVRXYKOEMPQ-XJKSGUPXSA-N -1 3 357.372 3.046 20 0 FGADHM CSc1cc2c(cc1CN[C@@H](CC(=O)[O-])c1ccccc1)OCCO2 ZINC000277431016 496770819 /nfs/dbraw/zinc/77/08/19/496770819.db2.gz UAOWTLUDTDKBFU-HNNXBMFYSA-N -1 3 359.447 3.485 20 0 FGADHM COc1cc(Br)c(CNCCC[C@@H](C)C(=O)[O-])c(OC)c1 ZINC000277434807 496772107 /nfs/dbraw/zinc/77/21/07/496772107.db2.gz UDSNYXITLOJOEX-SNVBAGLBSA-N -1 3 360.248 3.057 20 0 FGADHM CCc1cc(=O)[n-]c(CN[C@@H](C)c2nc(-c3ccc(F)c(C)c3)no2)n1 ZINC000273353072 496781701 /nfs/dbraw/zinc/78/17/01/496781701.db2.gz YNIARNZKOGBASP-NSHDSACASA-N -1 3 357.389 3.093 20 0 FGADHM Cc1nccn1C[C@H](C)CNC(=O)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000188464140 496797826 /nfs/dbraw/zinc/79/78/26/496797826.db2.gz DRXGWXFKGQNVDE-SNVBAGLBSA-N -1 3 363.874 3.363 20 0 FGADHM O=C(NCC[C@@H]1C(=O)Nc2ccccc21)c1cc([O-])ccc1C(F)(F)F ZINC000195069278 496811857 /nfs/dbraw/zinc/81/18/57/496811857.db2.gz GTHNUDOCJYFFQA-LBPRGKRZSA-N -1 3 364.323 3.267 20 0 FGADHM COc1cc(CN[C@H]2CCCc3c[nH]nc32)cc(Br)c1[O-] ZINC000268889014 496815058 /nfs/dbraw/zinc/81/50/58/496815058.db2.gz ZMFQPKITLPVSHI-LBPRGKRZSA-N -1 3 352.232 3.054 20 0 FGADHM CCN1CCc2nc(NC(=O)c3cc([O-])ccc3C(F)(F)F)sc2C1 ZINC000195084217 496816890 /nfs/dbraw/zinc/81/68/90/496816890.db2.gz RFNHOJKHHAPPEZ-UHFFFAOYSA-N -1 3 371.384 3.498 20 0 FGADHM CC(C)c1ccc(-c2nc(CC(=O)NCc3ccccc3)no2)c([O-])c1 ZINC000273502261 496824012 /nfs/dbraw/zinc/82/40/12/496824012.db2.gz YQHLIDNTATYGEW-UHFFFAOYSA-N -1 3 351.406 3.425 20 0 FGADHM CCOc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])c(C)c1 ZINC000195130050 496828941 /nfs/dbraw/zinc/82/89/41/496828941.db2.gz CLZNZHMLXPEMDV-GOSISDBHSA-N -1 3 368.433 3.343 20 0 FGADHM C[C@H](C(=O)[O-])N(C(=O)NCCN1CCC2(CCCCC2)CC1)C1CCC1 ZINC000574854521 505869071 /nfs/dbraw/zinc/86/90/71/505869071.db2.gz LZYYJWSARHPPRJ-MRXNPFEDSA-N -1 3 365.518 3.070 20 0 FGADHM CC(=O)c1c(C)cc(C)c(CS(=O)(=O)c2nnc(C(C)(C)C)[n-]2)c1C ZINC000195176521 496842799 /nfs/dbraw/zinc/84/27/99/496842799.db2.gz CTZQWWRYDBPPIM-UHFFFAOYSA-N -1 3 363.483 3.204 20 0 FGADHM CC(=O)c1c(C)cc(C)c(CS(=O)(=O)c2nc(C(C)(C)C)n[n-]2)c1C ZINC000195176521 496842804 /nfs/dbraw/zinc/84/28/04/496842804.db2.gz CTZQWWRYDBPPIM-UHFFFAOYSA-N -1 3 363.483 3.204 20 0 FGADHM CCC1(CC)CCN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])CC1 ZINC000188599606 496847611 /nfs/dbraw/zinc/84/76/11/496847611.db2.gz IYYSYZQPEONCOK-QGZVFWFLSA-N -1 3 358.482 3.426 20 0 FGADHM CCc1cccc(CN2CCC([N-]S(=O)(=O)c3cccs3)CC2)c1 ZINC000188605508 496849092 /nfs/dbraw/zinc/84/90/92/496849092.db2.gz QRKNTPFQJZTLCS-UHFFFAOYSA-N -1 3 364.536 3.253 20 0 FGADHM COc1ccc(NC(=O)c2c(C)[n-]c(=O)nc2SC)cc1OC(C)C ZINC000273630325 496857747 /nfs/dbraw/zinc/85/77/47/496857747.db2.gz BDJGUDFOICBYCN-UHFFFAOYSA-N -1 3 363.439 3.261 20 0 FGADHM CC(C)=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000191749723 496877302 /nfs/dbraw/zinc/87/73/02/496877302.db2.gz XWEDJYBGQUEGOP-UHFFFAOYSA-N -1 3 362.426 3.323 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N2CCC(c3ccsc3)CC2)c([O-])c1 ZINC000188713770 496885696 /nfs/dbraw/zinc/88/56/96/496885696.db2.gz LICNEFWWYQBGGF-UHFFFAOYSA-N -1 3 372.490 3.288 20 0 FGADHM Cc1cc(C[C@@H](C)NC(=O)c2ccc(C(=O)c3cccc([O-])c3)cc2)[nH]n1 ZINC000188767380 496903152 /nfs/dbraw/zinc/90/31/52/496903152.db2.gz XZONPCKJVFLBLC-CYBMUJFWSA-N -1 3 363.417 3.016 20 0 FGADHM COCCCN(Cc1ccncc1)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000264463543 496905599 /nfs/dbraw/zinc/90/55/99/496905599.db2.gz SDFDSIPAELROQU-UHFFFAOYSA-N -1 3 351.406 3.014 20 0 FGADHM COc1cc(C(=O)Nc2ccc(C(=O)NC(C)(C)C)cc2)cc(OC)c1[O-] ZINC000273811949 496915950 /nfs/dbraw/zinc/91/59/50/496915950.db2.gz BCZKMOHWPJFXPI-UHFFFAOYSA-N -1 3 372.421 3.190 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]C2CCN(c3ccccn3)CC2)sc1Cl ZINC000191890049 496922339 /nfs/dbraw/zinc/92/23/39/496922339.db2.gz SRHUCWIUOAVIDM-UHFFFAOYSA-N -1 3 371.915 3.052 20 0 FGADHM C[C@H](Oc1cccc2ccccc21)C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000195446168 496924452 /nfs/dbraw/zinc/92/44/52/496924452.db2.gz SHOIIOYOOWOJPY-VIFPVBQESA-N -1 3 350.300 3.383 20 0 FGADHM C[C@H](Oc1cccc2ccccc21)C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000195446168 496924454 /nfs/dbraw/zinc/92/44/54/496924454.db2.gz SHOIIOYOOWOJPY-VIFPVBQESA-N -1 3 350.300 3.383 20 0 FGADHM CC(C)c1nc([C@@H](C)[N-]S(=O)(=O)c2ccc3ccccc3c2F)n[nH]1 ZINC000569195766 505874098 /nfs/dbraw/zinc/87/40/98/505874098.db2.gz OASMZUGRAVTAJK-LLVKDONJSA-N -1 3 362.430 3.260 20 0 FGADHM Cc1cccc(C(=O)NCc2ccccc2CN2C[C@@H](C)O[C@@H](C)C2)c1[O-] ZINC000195625796 496956004 /nfs/dbraw/zinc/95/60/04/496956004.db2.gz LATIRLNGAZXQFI-CALCHBBNSA-N -1 3 368.477 3.240 20 0 FGADHM COc1cccc(CNC(=O)c2cc([O-])ccc2C(F)(F)F)c1OC ZINC000189032572 496984817 /nfs/dbraw/zinc/98/48/17/496984817.db2.gz KFTGRTWZDCDFDM-UHFFFAOYSA-N -1 3 355.312 3.358 20 0 FGADHM O=C1C[C@@H](c2noc(-c3ccc4c(c3[O-])CCCC4)n2)CN1CC1CCC1 ZINC000274030480 496997696 /nfs/dbraw/zinc/99/76/96/496997696.db2.gz UBRCRYCHEVMVAM-OAHLLOKOSA-N -1 3 367.449 3.437 20 0 FGADHM O=S(=O)([N-]CC(F)(F)C(F)F)c1ccc(OC(F)F)c(Cl)c1 ZINC000192135070 497006478 /nfs/dbraw/zinc/00/64/78/497006478.db2.gz YEIYKPUHMUXZAD-UHFFFAOYSA-N -1 3 371.686 3.120 20 0 FGADHM CO[C@H](C)c1nc(Cc2noc(-c3cc(-c4ccco4)[n-]n3)n2)cs1 ZINC000274082499 497011421 /nfs/dbraw/zinc/01/14/21/497011421.db2.gz RMTWESGJOAOFQS-SECBINFHSA-N -1 3 357.395 3.474 20 0 FGADHM CO[C@H](C)c1nc(Cc2noc(-c3cc(-c4ccco4)n[n-]3)n2)cs1 ZINC000274082499 497011425 /nfs/dbraw/zinc/01/14/25/497011425.db2.gz RMTWESGJOAOFQS-SECBINFHSA-N -1 3 357.395 3.474 20 0 FGADHM Cc1ccc(C(N)=O)cc1NC(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000189111800 497011824 /nfs/dbraw/zinc/01/18/24/497011824.db2.gz GOSNRJZYGBODRF-UHFFFAOYSA-N -1 3 374.396 3.283 20 0 FGADHM [O-]c1cc2c(cc1-c1nc([C@H]3CN4CCCC[C@@H]4CO3)no1)CCCC2 ZINC000278131560 497015726 /nfs/dbraw/zinc/01/57/26/497015726.db2.gz REEOIUXAQFRFFC-CRAIPNDOSA-N -1 3 355.438 3.247 20 0 FGADHM COc1cc(C(=O)N[C@H]2CCOc3c(Cl)cccc32)cc(OC)c1[O-] ZINC000269897473 497020765 /nfs/dbraw/zinc/02/07/65/497020765.db2.gz CVRSKMJYNOQOMQ-ZDUSSCGKSA-N -1 3 363.797 3.316 20 0 FGADHM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000248513560 497028759 /nfs/dbraw/zinc/02/87/59/497028759.db2.gz DIJOMGRUFWTKLV-YRPNKDGESA-N -1 3 370.493 3.143 20 0 FGADHM COc1cc(-c2noc(CC[C@H]3Cc4ccccc4NC3=O)n2)ccc1[O-] ZINC000265046232 497037654 /nfs/dbraw/zinc/03/76/54/497037654.db2.gz RVCREUOPEUKYMZ-AWEZNQCLSA-N -1 3 365.389 3.194 20 0 FGADHM Cc1cc(-n2c([O-])c(CC(F)(F)F)[nH]c2=O)ccc1OCC(F)(F)F ZINC000278205871 497038061 /nfs/dbraw/zinc/03/80/61/497038061.db2.gz QSHDIENQCJVFCA-VIFPVBQESA-N -1 3 370.249 3.313 20 0 FGADHM C[C@@H]1CN(c2ccc(NC([O-])=NO[C@@H]3CCCCO3)cc2F)C[C@@H](C)O1 ZINC000274216907 497044164 /nfs/dbraw/zinc/04/41/64/497044164.db2.gz PRKVHARGOQHFJR-PBFPGSCMSA-N -1 3 367.421 3.019 20 0 FGADHM C[C@@H]1CN(c2ccc(NC(=O)[N-]O[C@@H]3CCCCO3)cc2F)C[C@@H](C)O1 ZINC000274216907 497044169 /nfs/dbraw/zinc/04/41/69/497044169.db2.gz PRKVHARGOQHFJR-PBFPGSCMSA-N -1 3 367.421 3.019 20 0 FGADHM Cc1cc([N-]C(=O)[C@@H](C)N2CCO[C@@H](c3ccc(F)cc3Cl)C2)on1 ZINC000248573860 497044748 /nfs/dbraw/zinc/04/47/48/497044748.db2.gz SHWPDONTTYWSCN-IAQYHMDHSA-N -1 3 367.808 3.176 20 0 FGADHM O=c1nc(CN2CCO[C@@H]3CCC[C@@H]32)[n-]c2scc(-c3ccco3)c21 ZINC000265093525 497046017 /nfs/dbraw/zinc/04/60/17/497046017.db2.gz BHSWRYKBIOHJIS-GXTWGEPZSA-N -1 3 357.435 3.410 20 0 FGADHM Cc1ccc(NC([O-])=NO[C@@H]2CCCCO2)c(OC[C@@H]2CCCO2)c1 ZINC000274264746 497055983 /nfs/dbraw/zinc/05/59/83/497055983.db2.gz ZISBSLUHQAEQFM-WMLDXEAASA-N -1 3 350.415 3.133 20 0 FGADHM Cc1ccc(NC(=O)[N-]O[C@@H]2CCCCO2)c(OC[C@@H]2CCCO2)c1 ZINC000274264746 497055987 /nfs/dbraw/zinc/05/59/87/497055987.db2.gz ZISBSLUHQAEQFM-WMLDXEAASA-N -1 3 350.415 3.133 20 0 FGADHM Cc1csc([C@@H]2COCCN2Cc2cc(=O)oc3c(C)c([O-])ccc23)n1 ZINC000189284432 497069427 /nfs/dbraw/zinc/06/94/27/497069427.db2.gz GCWZLMIXFQWPPY-HNNXBMFYSA-N -1 3 372.446 3.145 20 0 FGADHM COc1cc(-c2noc(-c3ccc4nnc(C(C)(C)C)n4c3)n2)ccc1[O-] ZINC000274345679 497075272 /nfs/dbraw/zinc/07/52/72/497075272.db2.gz CJKTUCCPJWOLGM-UHFFFAOYSA-N -1 3 365.393 3.458 20 0 FGADHM CO[C@](C)(C(=O)Nc1n[n-]c(-c2ccccc2F)n1)c1ccccc1F ZINC000192345289 497081317 /nfs/dbraw/zinc/08/13/17/497081317.db2.gz KMUULRAOXIZENT-SFHVURJKSA-N -1 3 358.348 3.250 20 0 FGADHM CCN1CCN(c2ccc(NC(=O)c3cccc(C(=O)[O-])c3)c(C)c2)CC1 ZINC000578191771 505883497 /nfs/dbraw/zinc/88/34/97/505883497.db2.gz HFOIXNCUWDAKGJ-UHFFFAOYSA-N -1 3 367.449 3.087 20 0 FGADHM C[C@H]1CN(c2ccnc(C(=O)Nc3cc(Cl)ccc3[O-])c2)C[C@H](C)O1 ZINC000189332464 497084285 /nfs/dbraw/zinc/08/42/85/497084285.db2.gz BCAAWVIUJMYPIG-RYUDHWBXSA-N -1 3 361.829 3.307 20 0 FGADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)n1 ZINC000248755520 497098400 /nfs/dbraw/zinc/09/84/00/497098400.db2.gz PJKHHNLXKFDHSF-GDBMZVCRSA-N -1 3 364.453 3.216 20 0 FGADHM CCCS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc(SC)cn2)cc1 ZINC000265335126 497101804 /nfs/dbraw/zinc/10/18/04/497101804.db2.gz HIOLBIUVQHZXAJ-UHFFFAOYSA-N -1 3 365.480 3.208 20 0 FGADHM O=S(=O)([N-][C@@H]1C[C@@H]1c1ccccc1)c1ccc(Br)c(F)c1 ZINC000230603709 497105536 /nfs/dbraw/zinc/10/55/36/497105536.db2.gz VDXQNNCMYNBBEP-IUODEOHRSA-N -1 3 370.243 3.423 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]C2Cc3ccccc3C2)sc1Br ZINC000231030111 497107627 /nfs/dbraw/zinc/10/76/27/497107627.db2.gz XMSMALDDLRUCHZ-UHFFFAOYSA-N -1 3 372.309 3.265 20 0 FGADHM O=S(=O)([N-]CCc1ccco1)c1ccc(Cl)c(Br)c1 ZINC000236053858 497115650 /nfs/dbraw/zinc/11/56/50/497115650.db2.gz USWGXOMTYKFSKE-UHFFFAOYSA-N -1 3 364.648 3.217 20 0 FGADHM Cc1cccc([C@H]2CCCN2C(=O)CNC(=O)c2cccc([O-])c2)c1C ZINC000274540106 497120822 /nfs/dbraw/zinc/12/08/22/497120822.db2.gz TYVXMKRBOYVYDO-LJQANCHMSA-N -1 3 352.434 3.103 20 0 FGADHM O=C(c1c([O-])cccc1F)N1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000278474392 497127862 /nfs/dbraw/zinc/12/78/62/497127862.db2.gz UJUPCFQMGGIGQT-VIFPVBQESA-N -1 3 357.307 3.293 20 0 FGADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)Nc1ccsc1Cl ZINC000189496808 497137994 /nfs/dbraw/zinc/13/79/94/497137994.db2.gz NKRGLSUKBRNABH-UHFFFAOYSA-N -1 3 371.292 3.033 20 0 FGADHM COc1ccc(Br)cc1S(=O)(=O)[N-]C(C)(C)C(C)C ZINC000578212073 505887786 /nfs/dbraw/zinc/88/77/86/505887786.db2.gz UHBCEQSHPDJAGG-UHFFFAOYSA-N -1 3 350.278 3.171 20 0 FGADHM COc1ccccc1-n1ncc(C(=O)N2CCCc3cccc([O-])c32)c1C ZINC000192568793 497152442 /nfs/dbraw/zinc/15/24/42/497152442.db2.gz IPMSYQZETMGSAH-UHFFFAOYSA-N -1 3 363.417 3.488 20 0 FGADHM Cc1cc(=O)[n-]c([C@H](C)N2CCN([C@@H](C)c3ccc(F)cc3F)CC2)n1 ZINC000192573151 497153018 /nfs/dbraw/zinc/15/30/18/497153018.db2.gz MCRDLCSTABIZNN-KBPBESRZSA-N -1 3 362.424 3.209 20 0 FGADHM Cc1cc(=O)[n-]c([C@H](C)N2CCC([C@H](C)NC(=O)OC(C)(C)C)CC2)n1 ZINC000192580495 497155440 /nfs/dbraw/zinc/15/54/40/497155440.db2.gz RXRCPJIJPOYWFK-KBPBESRZSA-N -1 3 364.490 3.177 20 0 FGADHM CC[C@@H](C)[C@H]1CCCCN1C(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000265682893 497161057 /nfs/dbraw/zinc/16/10/57/497161057.db2.gz KFZKNDNQYGBTID-MLGOLLRUSA-N -1 3 356.463 3.238 20 0 FGADHM C[C@H]1CCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])CC[S@]1=O ZINC000572096456 505888328 /nfs/dbraw/zinc/88/83/28/505888328.db2.gz IGWFUQALYPTLGB-YHAMSUFESA-N -1 3 371.502 3.161 20 0 FGADHM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)[C@H]1CCCN1Cc1ccccc1 ZINC000237046625 497183780 /nfs/dbraw/zinc/18/37/80/497183780.db2.gz GAYDQVDOYKPHQX-LJQANCHMSA-N -1 3 352.434 3.008 20 0 FGADHM COc1ccc(Cl)cc1NC(=O)CN1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC000237121258 497193634 /nfs/dbraw/zinc/19/36/34/497193634.db2.gz VTOIGVBKGIAKKT-CQDKDKBSSA-N -1 3 366.845 3.005 20 0 FGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@@H](C)c1ccc(C)cc1 ZINC000189669494 497204241 /nfs/dbraw/zinc/20/42/41/497204241.db2.gz BJUUKLMMVBQZJJ-LBPRGKRZSA-N -1 3 353.465 3.191 20 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CCn1c(CN2CCC[C@H]2[C@@H]2CCCOC2)nc2cc(C(=O)[O-])ccc21 ZINC000578369292 505924450 /nfs/dbraw/zinc/92/44/50/505924450.db2.gz DSZZEGUJCZXOTB-WBVHZDCISA-N -1 3 357.454 3.145 20 0 FGADHM CCOC(=O)c1cc(NC(=O)c2cc([O-])ccc2C(F)(F)F)cn1C ZINC000280319361 497718717 /nfs/dbraw/zinc/71/87/17/497718717.db2.gz ZASRITXOGXZKMJ-UHFFFAOYSA-N -1 3 356.300 3.179 20 0 FGADHM COc1ccc(CN2C[C@H](C(=O)[O-])CC[C@@H]2C)cc1OCc1cccnc1 ZINC000263155027 497720031 /nfs/dbraw/zinc/72/00/31/497720031.db2.gz FSAMGOQCYKCMPT-MAUKXSAKSA-N -1 3 370.449 3.354 20 0 FGADHM CCCN(Cc1ccc(C)cc1)C(=O)CN1CCC[C@@H](CCC(=O)[O-])C1 ZINC000263192301 497728847 /nfs/dbraw/zinc/72/88/47/497728847.db2.gz VXUZAVZVICACPQ-SFHVURJKSA-N -1 3 360.498 3.310 20 0 FGADHM Cc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C(=O)N(C)C)cc2)c1 ZINC000194647586 497729185 /nfs/dbraw/zinc/72/91/85/497729185.db2.gz ROVMOJZMRVDIAJ-UHFFFAOYSA-N -1 3 352.843 3.151 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2cc(C(C)=O)ccc2Cl)cc1F ZINC000191179727 497735990 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CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H](c3nc(C)cs3)C2)c1 ZINC000332328523 498650918 /nfs/dbraw/zinc/65/09/18/498650918.db2.gz OWSYAECNCMXILX-ZDUSSCGKSA-N -1 3 359.451 3.135 20 0 FGADHM O=C(CCNC(=O)N1CCc2ccccc2C1)Nc1c([O-])cccc1Cl ZINC000572854585 506068463 /nfs/dbraw/zinc/06/84/63/506068463.db2.gz HOTMODLPRBWZKY-UHFFFAOYSA-N -1 3 373.840 3.142 20 0 FGADHM CC1(c2ccccc2)CCN(C(=O)c2ccc([N-]S(C)(=O)=O)cc2)CC1 ZINC000332389219 498671882 /nfs/dbraw/zinc/67/18/82/498671882.db2.gz KZTYPUXVWDJHJF-UHFFFAOYSA-N -1 3 372.490 3.252 20 0 FGADHM CCc1cc(C(=O)NCC2CCN(Cc3csc(C)n3)CC2)ccc1[O-] ZINC000365858230 498674259 /nfs/dbraw/zinc/67/42/59/498674259.db2.gz VCTQPCRYRZNHES-UHFFFAOYSA-N -1 3 373.522 3.362 20 0 FGADHM COC[C@@]1(C(=O)[O-])CCCN(Cc2cccc(Br)c2C)C1 ZINC000572889594 506076139 /nfs/dbraw/zinc/07/61/39/506076139.db2.gz SYNXEBJXOOGTNA-MRXNPFEDSA-N -1 3 356.260 3.071 20 0 FGADHM Cc1ccc(C(C)(C)C(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)cc1 ZINC000290858073 498702877 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SOGAFBDKJYFGCU-UHFFFAOYSA-N -1 3 363.439 3.346 20 0 FGADHM CC[C@H](O)[C@H](CC)[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000313101876 498765343 /nfs/dbraw/zinc/76/53/43/498765343.db2.gz UYGAQXZPVAVESF-QWRGUYRKSA-N -1 3 359.797 3.187 20 0 FGADHM O=C(Cc1ccccc1OC1CCCC1)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000572939409 506087954 /nfs/dbraw/zinc/08/79/54/506087954.db2.gz PMWXGKVBSQOMLY-SFHVURJKSA-N -1 3 355.438 3.186 20 0 FGADHM CC(C)C[C@@H](CO)[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000316679292 498788604 /nfs/dbraw/zinc/78/86/04/498788604.db2.gz VEDKCNVNNDEGAN-JTQLQIEISA-N -1 3 359.797 3.044 20 0 FGADHM C[C@@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)[C@H]1OCCc2sccc21 ZINC000294744828 498791428 /nfs/dbraw/zinc/79/14/28/498791428.db2.gz VLYQWECDXWKSDN-ADLMAVQZSA-N -1 3 354.431 3.434 20 0 FGADHM Cc1c(-c2ccncc2)[n-][nH]c1=NC(=O)c1cc(-c2ccc(F)cc2)on1 ZINC000366139249 498793749 /nfs/dbraw/zinc/79/37/49/498793749.db2.gz CIBHKVVKTMIATH-UHFFFAOYSA-N -1 3 363.352 3.248 20 0 FGADHM C[C@H](CO)CCC[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000318876765 498800173 /nfs/dbraw/zinc/80/01/73/498800173.db2.gz DFOAQYAUJGEXLO-VIFPVBQESA-N -1 3 359.797 3.046 20 0 FGADHM CC[C@@H](C(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1)c1ccccc1 ZINC000291126869 498807819 /nfs/dbraw/zinc/80/78/19/498807819.db2.gz NWDPUBFBZYNGEH-UKRRQHHQSA-N -1 3 356.388 3.097 20 0 FGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@@H]3CCC[C@@H](CO)C3)s2)cs1 ZINC000581932609 506093961 /nfs/dbraw/zinc/09/39/61/506093961.db2.gz JWKKBWUIEXMXRB-VXGBXAGGSA-N -1 3 372.537 3.009 20 0 FGADHM CC[C@@H](NC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1)c1ccccc1 ZINC000291147400 498816993 /nfs/dbraw/zinc/81/69/93/498816993.db2.gz DVDVLKNJWCCCKG-DZGCQCFKSA-N -1 3 371.403 3.238 20 0 FGADHM CO[C@@H](C)c1noc(CN(C)C(=O)CCc2ccc3ccccc3c2[O-])n1 ZINC000294832829 498819755 /nfs/dbraw/zinc/81/97/55/498819755.db2.gz DLPHPCVIVAXSIC-ZDUSSCGKSA-N -1 3 369.421 3.227 20 0 FGADHM CCC(=O)c1cccc(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCO3)c1 ZINC000324679995 498830732 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COCCCCS(=O)(=O)[N-]c1cnn(-c2cccc(C)c2)c1C(C)C ZINC000378024147 499755221 /nfs/dbraw/zinc/75/52/21/499755221.db2.gz IXPUGDXGYPFPAB-UHFFFAOYSA-N -1 3 365.499 3.472 20 0 FGADHM CC(C)[C@@H]1N(C(=O)C(=O)[N-]c2nccn2-c2ccccc2)CC12CCCC2 ZINC000411589963 499766551 /nfs/dbraw/zinc/76/65/51/499766551.db2.gz IWKZCGCSJRMXLQ-KRWDZBQOSA-N -1 3 366.465 3.238 20 0 FGADHM C[C@H]1Oc2ccccc2[C@@H]1NC(=O)Cc1ccc(Br)cc1[O-] ZINC000573273601 506159172 /nfs/dbraw/zinc/15/91/72/506159172.db2.gz OQEIIEILTUIVTH-BMLIUANNSA-N -1 3 362.223 3.336 20 0 FGADHM CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCO3)c(F)c1 ZINC000414419103 499789394 /nfs/dbraw/zinc/78/93/94/499789394.db2.gz ZQWBLRYSGULCHV-UHFFFAOYSA-N -1 3 351.399 3.350 20 0 FGADHM CCNC(=O)C(C)(C)NCc1nc(=O)c2cc(-c3ccccc3)sc2[n-]1 ZINC000411817215 499794088 /nfs/dbraw/zinc/79/40/88/499794088.db2.gz MXDBNHRMDNMACV-UHFFFAOYSA-N -1 3 370.478 3.068 20 0 FGADHM COc1c(C)cc(C)cc1S(=O)(=O)[N-]c1ccc(CN(C)C)cc1C ZINC000414458733 499794667 /nfs/dbraw/zinc/79/46/67/499794667.db2.gz KUXJGQZDWBPMHF-UHFFFAOYSA-N -1 3 362.495 3.483 20 0 FGADHM COc1cc(S(=O)(=O)[N-]c2ccccc2CCN(C)C)ccc1Cl ZINC000414457674 499794711 /nfs/dbraw/zinc/79/47/11/499794711.db2.gz SVGGPKAVIZJECD-UHFFFAOYSA-N -1 3 368.886 3.254 20 0 FGADHM CC(=O)c1ccc(C[N-]S(=O)(=O)c2cc(C)c(Cl)s2)nc1C ZINC000414467619 499795751 /nfs/dbraw/zinc/79/57/51/499795751.db2.gz WPTHOKBMUGXEHY-UHFFFAOYSA-N -1 3 358.872 3.094 20 0 FGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]Cc1nncn1C(C)C ZINC000414472585 499796529 /nfs/dbraw/zinc/79/65/29/499796529.db2.gz SRSCOHRKJJFBST-UHFFFAOYSA-N -1 3 368.846 3.046 20 0 FGADHM COc1ccc(CNCC(C)(C)OCC2CC2)c(Br)c1[O-] ZINC000414501490 499799702 /nfs/dbraw/zinc/79/97/02/499799702.db2.gz HLLVXEFECZNSJQ-UHFFFAOYSA-N -1 3 358.276 3.458 20 0 FGADHM CCCN(C)[C@H](CNC(=O)N(C)CCCC(=O)[O-])c1ccc(Cl)cc1 ZINC000414609734 499813625 /nfs/dbraw/zinc/81/36/25/499813625.db2.gz MPAURPBQDUFJTO-MRXNPFEDSA-N -1 3 369.893 3.229 20 0 FGADHM CCN1CCN(c2ccc(NCc3cccc(C(=O)[O-])c3)c(C)c2)CC1 ZINC000414643543 499816392 /nfs/dbraw/zinc/81/63/92/499816392.db2.gz XROCEXQQTAYPPQ-UHFFFAOYSA-N -1 3 353.466 3.447 20 0 FGADHM COc1ccc2c(c1)[n-]cc(C(=O)N(CC(F)F)CC1CCC1)c2=O ZINC000412222536 499835522 /nfs/dbraw/zinc/83/55/22/499835522.db2.gz SGKWOYUPAWABKP-UHFFFAOYSA-N -1 3 350.365 3.044 20 0 FGADHM COc1ccc2c(c1)[n-]cc(C(=O)N1C[C@@H](C)C[C@H]1c1cccnc1)c2=O ZINC000412245682 499837659 /nfs/dbraw/zinc/83/76/59/499837659.db2.gz DWDJYSVBVZCRPW-DJJJIMSYSA-N -1 3 363.417 3.155 20 0 FGADHM CCN(C(=O)c1ccc(C(C)=O)c([O-])c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000412258571 499838906 /nfs/dbraw/zinc/83/89/06/499838906.db2.gz YTWHNBQSPVXDCW-IBGZPJMESA-N -1 3 366.461 3.331 20 0 FGADHM CC(=O)c1ccc(C(=O)NC[C@H](C2CC2)N(C)Cc2ccccc2)cc1[O-] ZINC000412264646 499839399 /nfs/dbraw/zinc/83/93/99/499839399.db2.gz VIISNOUTNKVWLP-HXUWFJFHSA-N -1 3 366.461 3.235 20 0 FGADHM CC(=O)c1ccc(C(=O)Nc2cccc3c2OCC[C@H]3N(C)C)cc1[O-] ZINC000412300895 499842793 /nfs/dbraw/zinc/84/27/93/499842793.db2.gz JQZQSOMUVUBDIE-QGZVFWFLSA-N -1 3 354.406 3.232 20 0 FGADHM CC(=O)c1ccc(C(=O)N[C@H](CN(C)C)c2ccc(Cl)cc2)cc1[O-] ZINC000412331495 499845612 /nfs/dbraw/zinc/84/56/12/499845612.db2.gz OCJZHTMPEYVRHC-QGZVFWFLSA-N -1 3 360.841 3.281 20 0 FGADHM COc1ccc([C@H](C)NC(=O)c2ccc(C(C)=O)c([O-])c2)c(C)c1OC ZINC000412340097 499846522 /nfs/dbraw/zinc/84/65/22/499846522.db2.gz QEYAWOYJFLZGKZ-LBPRGKRZSA-N -1 3 357.406 3.411 20 0 FGADHM CC(=O)c1ccc(C(=O)N[C@H](c2nc(C)cs2)C(F)(F)F)cc1[O-] ZINC000412367752 499849359 /nfs/dbraw/zinc/84/93/59/499849359.db2.gz MTGRZWGHXRJPLW-GFCCVEGCSA-N -1 3 358.341 3.393 20 0 FGADHM CC(=O)c1ccc(C(=O)NC(C)(C)c2nc3ccccc3n2C)cc1[O-] ZINC000412415977 499852982 /nfs/dbraw/zinc/85/29/82/499852982.db2.gz KHMJNQLFGIMACP-UHFFFAOYSA-N -1 3 351.406 3.147 20 0 FGADHM CC[C@@H](c1n[n-]c(=NC(=O)N2CC[C@H](C)C[C@H]2CN)s1)c1ccccc1 ZINC000415161853 499871911 /nfs/dbraw/zinc/87/19/11/499871911.db2.gz JFHGGEKSQCVJRO-CWRNSKLLSA-N -1 3 373.526 3.093 20 0 FGADHM COc1ccc(Br)c(OCc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000413007428 499904003 /nfs/dbraw/zinc/90/40/03/499904003.db2.gz SVFRBYVDLAMMGJ-UHFFFAOYSA-N -1 3 351.200 3.410 20 0 FGADHM Cc1oc(Br)cc1C(=O)[N-]c1nnc(C2CCOCC2)s1 ZINC000424844817 499953415 /nfs/dbraw/zinc/95/34/15/499953415.db2.gz DOJVCAWOAJJKLY-UHFFFAOYSA-N -1 3 372.244 3.348 20 0 FGADHM NC(=O)c1csc([N-]C(=O)c2c(F)ccc(SCC3CC3)c2F)n1 ZINC000576473719 506167148 /nfs/dbraw/zinc/16/71/48/506167148.db2.gz RESAILUHMHKDJV-UHFFFAOYSA-N -1 3 369.418 3.275 20 0 FGADHM CC[C@H](CS(=O)(=O)[N-]c1ccc2c(c1)OC1(CCCCC1)O2)OC ZINC000421152991 499974562 /nfs/dbraw/zinc/97/45/62/499974562.db2.gz KQSQRMWMBNJJKU-CQSZACIVSA-N -1 3 355.456 3.285 20 0 FGADHM CO[C@H](Cc1ccccc1)CS(=O)(=O)[N-]c1c(F)cc(F)cc1F ZINC000421158910 499976164 /nfs/dbraw/zinc/97/61/64/499976164.db2.gz SPISBOYQIODWCF-CYBMUJFWSA-N -1 3 359.369 3.103 20 0 FGADHM CC[C@@H](CS(=O)(=O)[N-]c1cc(-c2ccc(OC)nc2)ccc1C)OC ZINC000421165216 499979770 /nfs/dbraw/zinc/97/97/70/499979770.db2.gz LUMQMNMXUJHKGX-INIZCTEOSA-N -1 3 364.467 3.232 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@H](CO)c3ccc(F)cc3)nc2)n1 ZINC000413549901 499987680 /nfs/dbraw/zinc/98/76/80/499987680.db2.gz SRCWBSDEGFFMFF-OAHLLOKOSA-N -1 3 368.412 3.134 20 0 FGADHM Cc1ccc(-c2[n-][nH]c(=NC(=O)c3c(C)nc(C(C)(C)C)nc3O)c2C)o1 ZINC000416251788 499995546 /nfs/dbraw/zinc/99/55/46/499995546.db2.gz LMDZQBXIIHELDP-UHFFFAOYSA-N -1 3 369.425 3.062 20 0 FGADHM CC[C@H](CS(=O)(=O)[N-]c1cccc(Cn2ccnc2C(C)C)c1)OC ZINC000421226557 499996244 /nfs/dbraw/zinc/99/62/44/499996244.db2.gz MQIHCIHFUFBALV-QGZVFWFLSA-N -1 3 365.499 3.222 20 0 FGADHM CO[C@H](Cc1ccccc1)CS(=O)(=O)[N-]c1c(F)cccc1Cl ZINC000421231095 499997465 /nfs/dbraw/zinc/99/74/65/499997465.db2.gz IZIUWVOQFIYFIQ-CYBMUJFWSA-N -1 3 357.834 3.479 20 0 FGADHM C[C@@H]1[C@@H](C)[C@H](C)CN1C(=O)Cc1csc(NC(=O)c2cccc([O-])c2)n1 ZINC000416317339 500012983 /nfs/dbraw/zinc/01/29/83/500012983.db2.gz CZMDVBVWXBQJHE-FRRDWIJNSA-N -1 3 373.478 3.146 20 0 FGADHM CC(C)c1nc(S(=O)(=O)[N-][C@@H](c2ccccc2)c2cccnc2)cn1C ZINC000416394239 500035752 /nfs/dbraw/zinc/03/57/52/500035752.db2.gz WRJSIJJFVAYMKM-SFHVURJKSA-N -1 3 370.478 3.006 20 0 FGADHM CC(C)c1nc(S(=O)(=O)[N-]C[C@H]2CCC[C@@H](C(F)(F)F)C2)cn1C ZINC000416417077 500040500 /nfs/dbraw/zinc/04/05/00/500040500.db2.gz MTQSGJPUZKRMRL-NWDGAFQWSA-N -1 3 367.437 3.191 20 0 FGADHM C[C@@H]1CC[C@H](C[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)O1 ZINC000416535842 500058230 /nfs/dbraw/zinc/05/82/30/500058230.db2.gz NQGIHGKNIOQTOK-PSASIEDQSA-N -1 3 357.781 3.205 20 0 FGADHM CCn1ccc(C[N-]S(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)n1 ZINC000416577867 500065678 /nfs/dbraw/zinc/06/56/78/500065678.db2.gz GGRQNDQKJDLNIR-UHFFFAOYSA-N -1 3 367.780 3.054 20 0 FGADHM C[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)[C@H](C)O1 ZINC000416608180 500071730 /nfs/dbraw/zinc/07/17/30/500071730.db2.gz QZMJLPSMNMPMNM-UTLUCORTSA-N -1 3 371.808 3.451 20 0 FGADHM O=S(=O)([N-]C[C@@H]1CC12CC2)c1cc(Cl)ccc1Br ZINC000416646147 500078097 /nfs/dbraw/zinc/07/80/97/500078097.db2.gz KUJVLFBYFQFSGU-QMMMGPOBSA-N -1 3 350.665 3.181 20 0 FGADHM O=S(=O)([N-][C@@H]1CCN(c2ccc(F)cc2)C1)c1ccc(Cl)s1 ZINC000416648336 500078525 /nfs/dbraw/zinc/07/85/25/500078525.db2.gz IKXSXVOBHBKANJ-LLVKDONJSA-N -1 3 360.863 3.098 20 0 FGADHM COC(=O)c1cc(CN[C@H](CC(=O)[O-])c2cccc(Cl)c2)n(C)c1C ZINC000417552788 500106197 /nfs/dbraw/zinc/10/61/97/500106197.db2.gz FFCKRCMVXDAJFW-MRXNPFEDSA-N -1 3 364.829 3.079 20 0 FGADHM CCc1nc(CNCc2ccc(C)cc2-c2cnn(C)c2)ccc1C(=O)[O-] ZINC000417554690 500107403 /nfs/dbraw/zinc/10/74/03/500107403.db2.gz CXHKITCJTNPRGS-UHFFFAOYSA-N -1 3 364.449 3.341 20 0 FGADHM CCCC[C@@H](NCc1ccc(F)cc1I)C(=O)[O-] ZINC000417556047 500107519 /nfs/dbraw/zinc/10/75/19/500107519.db2.gz NCKRUDLVITUWMU-GFCCVEGCSA-N -1 3 365.186 3.163 20 0 FGADHM CCCn1cc(CN[C@@H](Cc2cc(Cl)cc(Cl)c2)C(=O)[O-])cn1 ZINC000417562487 500110465 /nfs/dbraw/zinc/11/04/65/500110465.db2.gz MNRVAOAMPJSOQZ-HNNXBMFYSA-N -1 3 356.253 3.385 20 0 FGADHM CC(C)(CCNCc1cc2c(cc1OC(F)F)OCO2)CCC(=O)[O-] ZINC000417571878 500112785 /nfs/dbraw/zinc/11/27/85/500112785.db2.gz UCAAAABMQQHJOH-UHFFFAOYSA-N -1 3 359.369 3.387 20 0 FGADHM CSCc1cnc(CNC[C@@H](Cc2ccc(C)cc2)C(=O)[O-])s1 ZINC000417573996 500113581 /nfs/dbraw/zinc/11/35/81/500113581.db2.gz WBYKCXFYPRSZFO-CQSZACIVSA-N -1 3 350.509 3.348 20 0 FGADHM O=C([O-])C[C@@H](NCc1ccc(F)c(Cl)c1Cl)C1CCOCC1 ZINC000417577094 500114246 /nfs/dbraw/zinc/11/42/46/500114246.db2.gz IMMWPUWKPOJUIY-GFCCVEGCSA-N -1 3 350.217 3.492 20 0 FGADHM Cn1[n-]c(=NC(=O)N[C@@H](c2ccc(F)cc2)C2CCC2)cc1OC(F)F ZINC000429624746 500114800 /nfs/dbraw/zinc/11/48/00/500114800.db2.gz BRWDQVSMRYVDIL-OAHLLOKOSA-N -1 3 368.359 3.245 20 0 FGADHM CC(C)c1ccc([C@H](C)NC(=O)N=c2cc(OC(F)F)n(C)[n-]2)cc1 ZINC000429633798 500115566 /nfs/dbraw/zinc/11/55/66/500115566.db2.gz JGNRWQHVKDHORE-NSHDSACASA-N -1 3 352.385 3.450 20 0 FGADHM Cn1[n-]c(=NC(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)cc1OC(F)F ZINC000429641306 500117004 /nfs/dbraw/zinc/11/70/04/500117004.db2.gz TVJNENWIOFLCCB-CQSZACIVSA-N -1 3 370.787 3.370 20 0 FGADHM COC(=O)c1cc(CN[C@]2(C(=O)[O-])C[C@@H](C(C)C)c3ccccc32)cn1C ZINC000417586647 500117841 /nfs/dbraw/zinc/11/78/41/500117841.db2.gz NDCAXGRAINXXGC-HRAATJIYSA-N -1 3 370.449 3.025 20 0 FGADHM O=C([O-])c1ccc(CCNCc2cc3c(cc2OC(F)F)OCO3)cc1 ZINC000417591618 500119246 /nfs/dbraw/zinc/11/92/46/500119246.db2.gz XFTDGVSJUQUOFL-UHFFFAOYSA-N -1 3 365.332 3.047 20 0 FGADHM CCCOc1ccc(Br)cc1CNCCSCC(=O)[O-] ZINC000417612531 500125127 /nfs/dbraw/zinc/12/51/27/500125127.db2.gz BYJGFNGPBYHAKG-UHFFFAOYSA-N -1 3 362.289 3.145 20 0 FGADHM CO[C@@H](CNCc1ccc(-c2ccc(Br)cc2)s1)C(=O)[O-] ZINC000417622008 500127177 /nfs/dbraw/zinc/12/71/77/500127177.db2.gz HVYQQNWWKKOWEJ-ZDUSSCGKSA-N -1 3 370.268 3.367 20 0 FGADHM CC(C)=CCSC[C@H](NCc1cnc(C(F)(F)F)s1)C(=O)[O-] ZINC000417625461 500128158 /nfs/dbraw/zinc/12/81/58/500128158.db2.gz MHYOYUSWUKIPAO-JTQLQIEISA-N -1 3 354.419 3.404 20 0 FGADHM Cc1nn(-c2ccc(F)cc2)c(C)c1CNC[C@@H](CC(=O)[O-])C(F)(F)F ZINC000417628531 500129538 /nfs/dbraw/zinc/12/95/38/500129538.db2.gz PJLQMDKKERQXMU-GFCCVEGCSA-N -1 3 373.350 3.371 20 0 FGADHM O=C([O-])[C@@H]1C=C[C@@H](NCc2cnn(-c3ccc(C(F)(F)F)cc3)c2)C1 ZINC000417629308 500130067 /nfs/dbraw/zinc/13/00/67/500130067.db2.gz WWYKFHINAQCZSI-TZMCWYRMSA-N -1 3 351.328 3.010 20 0 FGADHM Cc1nn(C)cc1CN[C@H](c1ccc(Br)cc1)[C@H](C)C(=O)[O-] ZINC000417635875 500132007 /nfs/dbraw/zinc/13/20/07/500132007.db2.gz FXLPHCLRCLTKLL-BONVTDFDSA-N -1 3 366.259 3.043 20 0 FGADHM CN(C(=O)CCc1ccc2ccccc2c1[O-])C(C)(C)CN1CCOCC1 ZINC000414039233 500134097 /nfs/dbraw/zinc/13/40/97/500134097.db2.gz IUPYDZHEWFJOIL-UHFFFAOYSA-N -1 3 370.493 3.047 20 0 FGADHM O=S(=O)([N-][C@@H](CO)c1cccc(F)c1)c1ccc(Cl)cc1Cl ZINC000429812290 500148894 /nfs/dbraw/zinc/14/88/94/500148894.db2.gz GOURKDWOTDGGCV-ZDUSSCGKSA-N -1 3 364.225 3.144 20 0 FGADHM Cc1ccc(F)c(S(=O)(=O)[N-]Cc2c(F)cc(F)c(F)c2F)c1 ZINC000429884196 500161490 /nfs/dbraw/zinc/16/14/90/500161490.db2.gz FCRWWZBELKPFQP-UHFFFAOYSA-N -1 3 351.296 3.169 20 0 FGADHM C[C@H](CN1CCCCC1)[N-]S(=O)(=O)c1ccc(Cl)cc1Cl 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CCOc1cc(-c2noc(Cc3ccc4c(c3)OCCO4)n2)ccc1[O-] ZINC000445431610 500984640 /nfs/dbraw/zinc/98/46/40/500984640.db2.gz OZYVXOPMWLFOFU-UHFFFAOYSA-N -1 3 354.362 3.203 20 0 FGADHM CCOc1cc(-c2noc(C[C@@H](NC(C)=O)c3cccs3)n2)ccc1[O-] ZINC000445432463 500984648 /nfs/dbraw/zinc/98/46/48/500984648.db2.gz SNRXLTBOBJAJNJ-CYBMUJFWSA-N -1 3 373.434 3.322 20 0 FGADHM CN(Cc1nc(=O)c2sccc2[n-]1)C1CCN(c2ccccc2)CC1 ZINC000445496899 500994400 /nfs/dbraw/zinc/99/44/00/500994400.db2.gz YNRPNAUWCPSNAI-UHFFFAOYSA-N -1 3 354.479 3.498 20 0 FGADHM Cc1ccc(C(=O)NCCc2nc(-c3ccc(C(C)C)nc3)no2)c([O-])c1 ZINC000445502631 500995093 /nfs/dbraw/zinc/99/50/93/500995093.db2.gz LGVHOUVUCWSXFG-UHFFFAOYSA-N -1 3 366.421 3.242 20 0 FGADHM O=S(=O)([N-]CCc1nccs1)c1c(Cl)ccc2ccccc21 ZINC000440401435 501005718 /nfs/dbraw/zinc/00/57/18/501005718.db2.gz OYOLUBQCQPJOQU-UHFFFAOYSA-N -1 3 352.868 3.471 20 0 FGADHM O=S(=O)([N-]C[C@@H]1CCCN1C1CCCCC1)c1cc(F)ccc1F ZINC000435640718 501006065 /nfs/dbraw/zinc/00/60/65/501006065.db2.gz CFRPAUCCQWIRPO-HNNXBMFYSA-N -1 3 358.454 3.040 20 0 FGADHM CC[C@](C)([N-]S(=O)(=O)c1c(Cl)ccc2ccccc21)C(=O)OC ZINC000440410010 501006301 /nfs/dbraw/zinc/00/63/01/501006301.db2.gz BUBYKXSEMDMHCL-INIZCTEOSA-N -1 3 355.843 3.113 20 0 FGADHM C[C@@H]1C[C@@]2(CCO1)CN(C(=O)CCCc1ccc([O-])c(F)c1)C[C@@H](C)O2 ZINC000435994393 501054976 /nfs/dbraw/zinc/05/49/76/501054976.db2.gz LIMSUOHCEYRXRD-SXGZJXTBSA-N -1 3 365.445 3.039 20 0 FGADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(OC)ccc2F)cc1Cl ZINC000440835929 501055260 /nfs/dbraw/zinc/05/52/60/501055260.db2.gz DQMKITDCMVZKEE-UHFFFAOYSA-N -1 3 373.789 3.075 20 0 FGADHM Nc1ccc2c(c1)CCC[C@@H]2[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000440841160 501055956 /nfs/dbraw/zinc/05/59/56/501055956.db2.gz BZMHGGMIWKFVCF-AWEZNQCLSA-N -1 3 371.384 3.039 20 0 FGADHM COc1ccccc1-c1nc(NC(=O)c2cc(OC)c(OC)cc2C)n[n-]1 ZINC000446012030 501062655 /nfs/dbraw/zinc/06/26/55/501062655.db2.gz PDDCJXKSYGTYAU-UHFFFAOYSA-N -1 3 368.393 3.058 20 0 FGADHM C[S@](=O)c1ccc(CC(=O)Nc2ccc([O-])c(C(F)(F)F)c2)cc1 ZINC000436144272 501077806 /nfs/dbraw/zinc/07/78/06/501077806.db2.gz AVJFUHYVXJJNIK-DEOSSOPVSA-N -1 3 357.353 3.330 20 0 FGADHM COc1cc(-n2c([O-])c(CC(F)(F)F)[nH]c2=O)cc(OC)c1C(C)C ZINC000446164951 501085125 /nfs/dbraw/zinc/08/51/25/501085125.db2.gz ANFRBXBHXSREJK-SNVBAGLBSA-N -1 3 360.332 3.204 20 0 FGADHM COC[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)c1ccc(F)cc1 ZINC000436194929 501087518 /nfs/dbraw/zinc/08/75/18/501087518.db2.gz FKPCUDACILWSKQ-CQSZACIVSA-N -1 3 361.797 3.284 20 0 FGADHM Cc1c(C(=O)N=c2cc(-c3cc(C)c(C)cc3C)[n-][nH]2)nnn1C(C)C ZINC000449812513 501094537 /nfs/dbraw/zinc/09/45/37/501094537.db2.gz CWPWNRQALKIUBB-UHFFFAOYSA-N -1 3 352.442 3.157 20 0 FGADHM CCC[C@@H]1CCC[C@@H]1C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1[O-] ZINC000449811742 501094960 /nfs/dbraw/zinc/09/49/60/501094960.db2.gz SGXDBFHEFYLSAR-HIFRSBDPSA-N -1 3 366.483 3.087 20 0 FGADHM CCc1nc(C(C)(C)NCc2ccc(OC)c([O-])c2Br)no1 ZINC000441219185 501104692 /nfs/dbraw/zinc/10/46/92/501104692.db2.gz WBSGHJRWNOPXTO-UHFFFAOYSA-N -1 3 370.247 3.134 20 0 FGADHM CC(C)CCOCCNC(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000436306167 501104784 /nfs/dbraw/zinc/10/47/84/501104784.db2.gz JSDOJNHRCZOEQC-UHFFFAOYSA-N -1 3 355.434 3.416 20 0 FGADHM COc1cccc(C(=O)N[C@]2(Cc3ccc(Cl)cc3)CCOC2)c1[O-] ZINC000436512397 501144497 /nfs/dbraw/zinc/14/44/97/501144497.db2.gz KLYXBIKOBBWMME-IBGZPJMESA-N -1 3 361.825 3.186 20 0 FGADHM COC(=O)c1ccc([O-])c(NC(=O)c2oc3ccccc3c2CN(C)C)c1 ZINC000436513936 501144713 /nfs/dbraw/zinc/14/47/13/501144713.db2.gz NVBNQWIILCCQQZ-UHFFFAOYSA-N -1 3 368.389 3.239 20 0 FGADHM CCOc1nc2cc(C(=O)N[C@H](CC)c3c(C)nn(C)c3C)ccc2[n-]1 ZINC000449980949 501144851 /nfs/dbraw/zinc/14/48/51/501144851.db2.gz LQCJSWLLPHXDCG-CQSZACIVSA-N -1 3 355.442 3.193 20 0 FGADHM CCOc1nc2ccc(C(=O)N[C@H](CC)c3c(C)nn(C)c3C)cc2[n-]1 ZINC000449980949 501144856 /nfs/dbraw/zinc/14/48/56/501144856.db2.gz LQCJSWLLPHXDCG-CQSZACIVSA-N -1 3 355.442 3.193 20 0 FGADHM COC(=O)[C@H](c1ccccc1)N(C)C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436526810 501148144 /nfs/dbraw/zinc/14/81/44/501148144.db2.gz FIABWIAECNCRMU-INIZCTEOSA-N -1 3 369.417 3.092 20 0 FGADHM COCCN(CC(F)F)C(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436535520 501149692 /nfs/dbraw/zinc/14/96/92/501149692.db2.gz NHNFDGZAUNCZIE-UHFFFAOYSA-N -1 3 365.376 3.325 20 0 FGADHM CC(C)(C(N)=O)c1ccc(NC(=O)c2cc3c(cc2[O-])CCCC3)cc1 ZINC000436537245 501151235 /nfs/dbraw/zinc/15/12/35/501151235.db2.gz OEJQEWQQYJEOGM-UHFFFAOYSA-N -1 3 352.434 3.286 20 0 FGADHM Cc1cccc(-c2nnc3n2C[C@H](C(=O)Nc2c(C)cccc2[O-])CC3)c1 ZINC000450554737 501153014 /nfs/dbraw/zinc/15/30/14/501153014.db2.gz FCEPWGWTKUCKDA-MRXNPFEDSA-N -1 3 362.433 3.469 20 0 FGADHM C[C@@H]1CCN(C)CCN1C(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436555402 501156037 /nfs/dbraw/zinc/15/60/37/501156037.db2.gz NTTOPQNFUFLEKA-MRXNPFEDSA-N -1 3 354.450 3.137 20 0 FGADHM Cc1cccc(C(=O)N(C)Cc2cc3c(cc2OC(F)F)OCO3)c1[O-] ZINC000436561105 501156835 /nfs/dbraw/zinc/15/68/35/501156835.db2.gz HYZIFHJJICPHMH-UHFFFAOYSA-N -1 3 365.332 3.303 20 0 FGADHM Cc1ccc(C(=O)N2CSC[C@@H]2C(=O)Nc2cccc(F)c2)c([O-])c1C ZINC000436568721 501158489 /nfs/dbraw/zinc/15/84/89/501158489.db2.gz VWVRZWIOLRWDGR-MRXNPFEDSA-N -1 3 374.437 3.302 20 0 FGADHM COc1cccc(C(=O)N[C@H]2CCN(C)[C@@H]2c2ccc(Cl)cc2)c1[O-] ZINC000436585641 501162867 /nfs/dbraw/zinc/16/28/67/501162867.db2.gz SWXJRMGTUXXTJJ-DOTOQJQBSA-N -1 3 360.841 3.229 20 0 FGADHM CC[C@H]1Oc2cc([C@@H](C)NC(=O)c3ccc(C)cc3[O-])ccc2NC1=O ZINC000436584629 501163349 /nfs/dbraw/zinc/16/33/49/501163349.db2.gz JLVQNMGQJUPWOK-SJKOYZFVSA-N -1 3 354.406 3.301 20 0 FGADHM Cc1ccc(C(=O)NC[C@@H](O)COc2cccc(Cl)c2Cl)c([O-])c1 ZINC000436587209 501163709 /nfs/dbraw/zinc/16/37/09/501163709.db2.gz WKERWQYFPFYIAY-LLVKDONJSA-N -1 3 370.232 3.177 20 0 FGADHM CN(C)C(=O)Nc1cccc(CNC(=O)c2cc3c(cc2[O-])CCCC3)c1 ZINC000436589297 501163819 /nfs/dbraw/zinc/16/38/19/501163819.db2.gz PQWACHWWSOGCLJ-UHFFFAOYSA-N -1 3 367.449 3.295 20 0 FGADHM CC(C)n1cc2c(n1)C[C@H](NC(=O)c1ccc3c(c1[O-])OC(C)(C)C3)CC2 ZINC000436596263 501165844 /nfs/dbraw/zinc/16/58/44/501165844.db2.gz LOHVQGCLJGQJLK-OAHLLOKOSA-N -1 3 369.465 3.170 20 0 FGADHM COc1ccc2c(c1)C=C(C(=O)Nc1n[n-]c(-c3ccccc3F)n1)CO2 ZINC000446816040 501167202 /nfs/dbraw/zinc/16/72/02/501167202.db2.gz BPZNDJTZQLEZEH-UHFFFAOYSA-N -1 3 366.352 3.034 20 0 FGADHM CCNC(=O)C(C)(C)CNC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436605659 501168319 /nfs/dbraw/zinc/16/83/19/501168319.db2.gz PQVFDXNUNMTWPV-UHFFFAOYSA-N -1 3 356.422 3.077 20 0 FGADHM Cc1nc2n(n1)CCC[C@H]2NC(=O)CCc1ccc2ccccc2c1[O-] ZINC000450062340 501169326 /nfs/dbraw/zinc/16/93/26/501169326.db2.gz PAKLANFKVFGGKR-QGZVFWFLSA-N -1 3 350.422 3.029 20 0 FGADHM CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436612196 501170214 /nfs/dbraw/zinc/17/02/14/501170214.db2.gz LYELBFKIYPPWNJ-HZPDHXFCSA-N -1 3 368.477 3.210 20 0 FGADHM Cc1cccc([C@H](C)CNC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])c1 ZINC000436619344 501171234 /nfs/dbraw/zinc/17/12/34/501171234.db2.gz OWOCIOISGHUAQU-VQIMIIECSA-N -1 3 366.461 3.225 20 0 FGADHM CC(C)c1ccc2occ(C(=O)NCCNC(=O)c3ccc([O-])cc3)c2c1 ZINC000436631270 501173673 /nfs/dbraw/zinc/17/36/73/501173673.db2.gz REHBAFPLHPSXNB-UHFFFAOYSA-N -1 3 366.417 3.422 20 0 FGADHM Cc1cc(CN2C(=O)c3ccccc3C2=O)cc(C(=O)NC(C)(C)C)c1[O-] ZINC000436640492 501176223 /nfs/dbraw/zinc/17/62/23/501176223.db2.gz IKGACUYOLYGZPI-UHFFFAOYSA-N -1 3 366.417 3.025 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N[C@H](C)[C@H](C)c2ccccc2)c([O-])c1 ZINC000436640022 501176243 /nfs/dbraw/zinc/17/62/43/501176243.db2.gz SPTTUAAGFMPTFV-JKSUJKDBSA-N -1 3 354.450 3.129 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C)[C@@H](c2ccccc2C)N(C)C)c1 ZINC000436641231 501176439 /nfs/dbraw/zinc/17/64/39/501176439.db2.gz MHHVLGDPZJOBTP-XOBRGWDASA-N -1 3 369.465 3.080 20 0 FGADHM COc1ccc(CNC(=O)c2c([O-])cccc2O)c(OC2CCCC2)c1 ZINC000436647114 501178284 /nfs/dbraw/zinc/17/82/84/501178284.db2.gz KITKYRURQRITDL-UHFFFAOYSA-N -1 3 357.406 3.358 20 0 FGADHM O=C(NCCc1nc(-c2ccccc2)n[nH]1)c1cc2ccccc2cc1[O-] ZINC000436675744 501185709 /nfs/dbraw/zinc/18/57/09/501185709.db2.gz WXNPKXDZDGUTLC-UHFFFAOYSA-N -1 3 358.401 3.303 20 0 FGADHM O=C(NCCc1nnc(-c2ccccc2)[nH]1)c1cc2ccccc2cc1[O-] ZINC000436675744 501185712 /nfs/dbraw/zinc/18/57/12/501185712.db2.gz WXNPKXDZDGUTLC-UHFFFAOYSA-N -1 3 358.401 3.303 20 0 FGADHM COc1cccc(OC(F)(F)F)c1CNC(=O)c1ccc([O-])c(OC)c1 ZINC000436684303 501187510 /nfs/dbraw/zinc/18/75/10/501187510.db2.gz YJMDEKDCXHGDOG-UHFFFAOYSA-N -1 3 371.311 3.238 20 0 FGADHM CCC(=O)Nc1cccc(-c2noc(-c3cc(OC)c([O-])c(OC)c3)n2)c1 ZINC000436687784 501189027 /nfs/dbraw/zinc/18/90/27/501189027.db2.gz JLHJXAWLIMELFU-UHFFFAOYSA-N -1 3 369.377 3.475 20 0 FGADHM COc1ccc(C)cc1Cc1noc(-c2cc(OC)c([O-])c(OC)c2)n1 ZINC000436692040 501189984 /nfs/dbraw/zinc/18/99/84/501189984.db2.gz WIYOXZUZSGXPJU-UHFFFAOYSA-N -1 3 356.378 3.367 20 0 FGADHM Cc1ccccc1-c1cc(=NC(=O)C(=O)Nc2cc(Cl)ccc2F)[nH][n-]1 ZINC000436693024 501190089 /nfs/dbraw/zinc/19/00/89/501190089.db2.gz PKYJQYPFSSOXRM-UHFFFAOYSA-N -1 3 372.787 3.177 20 0 FGADHM Cc1ccc(C(=O)Nc2c(-c3cnn(C)c3)nc3ccccn32)c([O-])c1C ZINC000436705239 501192370 /nfs/dbraw/zinc/19/23/70/501192370.db2.gz REOCBBGDIFCNDR-UHFFFAOYSA-N -1 3 361.405 3.310 20 0 FGADHM Cc1ccc(-c2nnc(NC(=O)c3sc([C@H]4CCCOC4)nc3C)[n-]2)o1 ZINC000450144494 501192759 /nfs/dbraw/zinc/19/27/59/501192759.db2.gz ZUVSMKRIELOPPX-NSHDSACASA-N -1 3 373.438 3.284 20 0 FGADHM Cc1ccc(-c2n[n-]c(NC(=O)c3sc([C@H]4CCCOC4)nc3C)n2)o1 ZINC000450144494 501192763 /nfs/dbraw/zinc/19/27/63/501192763.db2.gz ZUVSMKRIELOPPX-NSHDSACASA-N -1 3 373.438 3.284 20 0 FGADHM Cc1ccc(-c2nc(NC(=O)c3sc([C@H]4CCCOC4)nc3C)n[n-]2)o1 ZINC000450144494 501192766 /nfs/dbraw/zinc/19/27/66/501192766.db2.gz ZUVSMKRIELOPPX-NSHDSACASA-N -1 3 373.438 3.284 20 0 FGADHM CC(=O)N[C@H](C)C1CCN(C(=O)CCc2ccc3ccccc3c2[O-])CC1 ZINC000450717694 501192793 /nfs/dbraw/zinc/19/27/93/501192793.db2.gz QWABOLKLXKDMGY-OAHLLOKOSA-N -1 3 368.477 3.241 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N(C)Cc2ccc(Cl)s2)c([O-])c1 ZINC000436706361 501192935 /nfs/dbraw/zinc/19/29/35/501192935.db2.gz MHCFEGHMKYKOTO-UHFFFAOYSA-N -1 3 366.870 3.194 20 0 FGADHM CC[C@H](CNC(=O)c1cc(NC(C)=O)ccc1[O-])Oc1cccc(C)c1 ZINC000436728570 501198484 /nfs/dbraw/zinc/19/84/84/501198484.db2.gz BFTGMJZBNBVIIL-MRXNPFEDSA-N -1 3 356.422 3.246 20 0 FGADHM CCOc1cccc([C@H]2C[C@H]2NC(=O)c2cc(OC)c([O-])c(OC)c2)c1 ZINC000436734149 501199997 /nfs/dbraw/zinc/19/99/97/501199997.db2.gz AAJSVCAGJDNMTC-HZPDHXFCSA-N -1 3 357.406 3.094 20 0 FGADHM CC1(C)Cc2ccc(C(=O)NCc3cccc(-n4ccnc4)c3)c([O-])c2O1 ZINC000436734157 501200156 /nfs/dbraw/zinc/20/01/56/501200156.db2.gz ACEGGEHGENAMED-UHFFFAOYSA-N -1 3 363.417 3.221 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N2C[C@@H](c3ccccc3)C[C@H]2C)c([O-])c1 ZINC000436737319 501200632 /nfs/dbraw/zinc/20/06/32/501200632.db2.gz IOJPJQHVCOSKJP-AEFFLSMTSA-N -1 3 366.461 3.225 20 0 FGADHM CC1CCC(N2CCN(C(=O)c3ccc4c(c3[O-])OC(C)(C)C4)CC2)CC1 ZINC000436736295 501201026 /nfs/dbraw/zinc/20/10/26/501201026.db2.gz GGMNORVVZOZPPN-UHFFFAOYSA-N -1 3 372.509 3.442 20 0 FGADHM COc1ccc([C@@H](CN(C)C)NC(=O)c2cc(F)c([O-])c(Cl)c2)cc1 ZINC000436738329 501201496 /nfs/dbraw/zinc/20/14/96/501201496.db2.gz SUZGBSVGJDYATJ-MRXNPFEDSA-N -1 3 366.820 3.226 20 0 FGADHM C[C@H]1CCC[C@H](CCNC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)C1 ZINC000436739000 501201619 /nfs/dbraw/zinc/20/16/19/501201619.db2.gz NDDLFTSSQJDSGH-DLBZAZTESA-N -1 3 373.497 3.076 20 0 FGADHM C[C@H]1Oc2ccc(NC(=O)c3cc4c(cc3[O-])CCCC4)cc2NC1=O ZINC000436757090 501205790 /nfs/dbraw/zinc/20/57/90/501205790.db2.gz TYJFNOVFDAZMAY-LLVKDONJSA-N -1 3 352.390 3.243 20 0 FGADHM CCNC(=O)COc1ccc(NC(=O)c2cc3c(cc2[O-])CCCC3)cc1 ZINC000436756603 501205875 /nfs/dbraw/zinc/20/58/75/501205875.db2.gz QTGQCBPKAMDCQD-UHFFFAOYSA-N -1 3 368.433 3.038 20 0 FGADHM O=C(NCC[C@@H]1C(=O)Nc2ccccc21)c1cc2c(cc1[O-])CCCC2 ZINC000436757470 501206136 /nfs/dbraw/zinc/20/61/36/501206136.db2.gz WACCAZCURTWWRP-INIZCTEOSA-N -1 3 350.418 3.127 20 0 FGADHM CCOC(=O)c1ccsc1[N-]C(=O)C(=O)N1CCC[C@@H]1CC(C)(C)C ZINC000442193634 501206216 /nfs/dbraw/zinc/20/62/16/501206216.db2.gz YLPHMSZBNWXSMB-GFCCVEGCSA-N -1 3 366.483 3.291 20 0 FGADHM COc1cccc([C@@H](CNC(=O)c2ccc(F)cc2[O-])N2CCCC2)c1 ZINC000436759249 501206211 /nfs/dbraw/zinc/20/62/11/501206211.db2.gz VMEJHNXKZDEHMV-GOSISDBHSA-N -1 3 358.413 3.107 20 0 FGADHM COCCN(CCc1ccccc1)C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436762107 501206720 /nfs/dbraw/zinc/20/67/20/501206720.db2.gz QKPVOYMCBCZLHR-UHFFFAOYSA-N -1 3 369.461 3.437 20 0 FGADHM CC(C)n1ncc2cc(C=Cc3nc(-c4ccc([O-])cc4)no3)c(=O)[nH]c21 ZINC000436770111 501208711 /nfs/dbraw/zinc/20/87/11/501208711.db2.gz QCLZIMNIFUFIMD-YVMONPNESA-N -1 3 363.377 3.232 20 0 FGADHM C[C@@H](NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2)c1nc2ccccc2[nH]1 ZINC000436772384 501209552 /nfs/dbraw/zinc/20/95/52/501209552.db2.gz NOXINEVIKRGDBT-LLVKDONJSA-N -1 3 351.406 3.473 20 0 FGADHM CC1CCN(Cc2ccc(CNC(=O)C(=O)c3ccc([O-])cc3)cc2)CC1 ZINC000436777754 501210193 /nfs/dbraw/zinc/21/01/93/501210193.db2.gz DLULXFKLDMJIMR-UHFFFAOYSA-N -1 3 366.461 3.123 20 0 FGADHM C[C@H](CN(C)C(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])c1ccccc1 ZINC000436784359 501210566 /nfs/dbraw/zinc/21/05/66/501210566.db2.gz PMJMBUCHIJYBSQ-APWZRJJASA-N -1 3 366.461 3.259 20 0 FGADHM Cc1cccc([C@H](CNC(=O)c2ccc(C)c(C)c2[O-])N2CCOCC2)c1 ZINC000436780950 501210716 /nfs/dbraw/zinc/21/07/16/501210716.db2.gz RFJRRUBYGGNXQT-FQEVSTJZSA-N -1 3 368.477 3.121 20 0 FGADHM C[C@H](CN(C)C(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])c1ccccc1 ZINC000436784365 501211076 /nfs/dbraw/zinc/21/10/76/501211076.db2.gz PMJMBUCHIJYBSQ-VQIMIIECSA-N -1 3 366.461 3.259 20 0 FGADHM COc1cc(-c2noc(-c3cccc(N4CCCC4=O)c3)n2)ccc1[O-] ZINC000436786043 501211315 /nfs/dbraw/zinc/21/13/15/501211315.db2.gz RDFQCCGFDFGMRW-UHFFFAOYSA-N -1 3 351.362 3.245 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)Nc2cccc(N(C)C(C)C)c2)c([O-])c1 ZINC000436791630 501212329 /nfs/dbraw/zinc/21/23/29/501212329.db2.gz LAQNUWMWZWYUII-UHFFFAOYSA-N -1 3 369.465 3.304 20 0 FGADHM CCOc1c(Cl)cc(CNC(=O)c2ccc(O)cc2[O-])cc1OC ZINC000436799765 501213046 /nfs/dbraw/zinc/21/30/46/501213046.db2.gz ZNUFPAWHYXXNEX-UHFFFAOYSA-N -1 3 351.786 3.089 20 0 FGADHM O=C1[N-][C@@](c2ccccc2)(C(F)(F)F)C(=O)N1C[C@@H]1CCC(F)(F)C1 ZINC000450818515 501213348 /nfs/dbraw/zinc/21/33/48/501213348.db2.gz IBUMGOSWGCKDFC-MEBBXXQBSA-N -1 3 362.298 3.431 20 0 FGADHM Cc1ccc(C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)c(Cl)c1C ZINC000436805241 501214087 /nfs/dbraw/zinc/21/40/87/501214087.db2.gz XKDZDYUOTDLQJH-UHFFFAOYSA-N -1 3 372.852 3.261 20 0 FGADHM Cc1ccc(C(=O)N(CCO)Cc2cc(Br)cs2)c([O-])c1 ZINC000436809783 501214991 /nfs/dbraw/zinc/21/49/91/501214991.db2.gz UYTNSWYDNUORTO-UHFFFAOYSA-N -1 3 370.268 3.159 20 0 FGADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCc2cc[nH]c(=O)c2C1 ZINC000436814254 501215471 /nfs/dbraw/zinc/21/54/71/501215471.db2.gz HTTZULWQXHSXAD-UHFFFAOYSA-N -1 3 374.440 3.477 20 0 FGADHM COc1cccc(C(=O)NCc2cc(F)cc(Br)c2)c1[O-] ZINC000436825171 501217350 /nfs/dbraw/zinc/21/73/50/501217350.db2.gz JSBCXHZDQPXGOJ-UHFFFAOYSA-N -1 3 354.175 3.232 20 0 FGADHM CCOC(=O)C[C@@H](C)N(C)C(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436827089 501217617 /nfs/dbraw/zinc/21/76/17/501217617.db2.gz MQMDBWUFMPOMAL-OAHLLOKOSA-N -1 3 371.433 3.385 20 0 FGADHM O=C(NC1(C(=O)Nc2ccccc2)CC1)c1cc2c(cc1[O-])CCCC2 ZINC000436836900 501219156 /nfs/dbraw/zinc/21/91/56/501219156.db2.gz GGBBWRHEPGBRIF-UHFFFAOYSA-N -1 3 350.418 3.172 20 0 FGADHM COc1ccc(Br)c(CN(C)C(=O)c2ccccc2[O-])c1 ZINC000436843915 501220109 /nfs/dbraw/zinc/22/01/09/501220109.db2.gz KYVFPMCUNHAXAN-UHFFFAOYSA-N -1 3 350.212 3.436 20 0 FGADHM CCc1cc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])ccc1F ZINC000436845704 501220144 /nfs/dbraw/zinc/22/01/44/501220144.db2.gz UHFFFVLUCZYIOA-KRWDZBQOSA-N -1 3 356.397 3.337 20 0 FGADHM CCOC(=O)c1csc(=NC[C@@H](c2ccsc2)N(CC)CC)[n-]1 ZINC000450255108 501220469 /nfs/dbraw/zinc/22/04/69/501220469.db2.gz APTKDBGFNXXOEO-AWEZNQCLSA-N -1 3 353.513 3.298 20 0 FGADHM CCOC(=O)c1csc(=NC2CCN(Cc3ccccc3C)CC2)[n-]1 ZINC000450258867 501220927 /nfs/dbraw/zinc/22/09/27/501220927.db2.gz CEHBQFIOQGSBJP-UHFFFAOYSA-N -1 3 359.495 3.127 20 0 FGADHM COc1ccccc1C[C@@H](NC(=O)c1cc(OC)c([O-])c(OC)c1)C(C)C ZINC000436870319 501224649 /nfs/dbraw/zinc/22/46/49/501224649.db2.gz LPLOSMAKUUOSMA-MRXNPFEDSA-N -1 3 373.449 3.415 20 0 FGADHM CCCN1CCN(C(=O)c2cc(OC)c([O-])c(OC)c2)c2ccc(F)cc21 ZINC000436889804 501227963 /nfs/dbraw/zinc/22/79/63/501227963.db2.gz YCOWMBOXRNMLJN-UHFFFAOYSA-N -1 3 374.412 3.425 20 0 FGADHM O=C(Cc1noc(-c2cc3ccccc3cc2[O-])n1)NCc1ccccc1 ZINC000436894371 501228599 /nfs/dbraw/zinc/22/85/99/501228599.db2.gz SGRIRXRUPRCLOE-UHFFFAOYSA-N -1 3 359.385 3.454 20 0 FGADHM CN(C[C@H](O)C(F)(F)F)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436895548 501229016 /nfs/dbraw/zinc/22/90/16/501229016.db2.gz JKAAJIXAYGNNEI-KRWDZBQOSA-N -1 3 367.367 3.173 20 0 FGADHM COc1cc(C)cc(-c2nc(-c3ccnc(N4CCCC4)c3)no2)c1[O-] ZINC000436895571 501229112 /nfs/dbraw/zinc/22/91/12/501229112.db2.gz VOZDVTREHNNGHB-UHFFFAOYSA-N -1 3 352.394 3.421 20 0 FGADHM Cc1cc(C(=O)Nc2cccc(NC(=O)[C@H](C)n3cccn3)c2)ccc1[O-] ZINC000436899754 501229523 /nfs/dbraw/zinc/22/95/23/501229523.db2.gz FSRINCIGDXHABD-AWEZNQCLSA-N -1 3 364.405 3.349 20 0 FGADHM CC1CCN(Cc2ccccc2CNC(=O)C(=O)c2ccc([O-])cc2)CC1 ZINC000436899801 501229662 /nfs/dbraw/zinc/22/96/62/501229662.db2.gz FXDLFZPVAXBCRX-UHFFFAOYSA-N -1 3 366.461 3.123 20 0 FGADHM O=C(NCCc1csc(=O)[nH]1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436907501 501230691 /nfs/dbraw/zinc/23/06/91/501230691.db2.gz KNKJEVDNRKJCRI-UHFFFAOYSA-N -1 3 354.431 3.118 20 0 FGADHM COc1cc(C)cc(C(=O)Nc2cccc(-n3cc(C)[nH]c3=O)c2)c1[O-] ZINC000436908684 501230719 /nfs/dbraw/zinc/23/07/19/501230719.db2.gz WOXBRZXFGNMYTA-UHFFFAOYSA-N -1 3 353.378 3.161 20 0 FGADHM Cc1ccc([O-])c(C(=O)N[C@@H]2CCCN([C@H](C)c3ccccc3F)C2=O)c1 ZINC000436907371 501230826 /nfs/dbraw/zinc/23/08/26/501230826.db2.gz YEOBVBXPOKJJBA-RDTXWAMCSA-N -1 3 370.424 3.322 20 0 FGADHM CCOC(=O)c1ccn(-c2ccccc2NC(=O)c2ccc([O-])c(C)c2)n1 ZINC000436923136 501233686 /nfs/dbraw/zinc/23/36/86/501233686.db2.gz AXPNGLWDQOSLOZ-UHFFFAOYSA-N -1 3 365.389 3.315 20 0 FGADHM CCOC(=O)c1cnc(C)c([N-]S(=O)(=O)Cc2c(C)cccc2C)c1 ZINC000450989461 501237304 /nfs/dbraw/zinc/23/73/04/501237304.db2.gz FRTGSAPDLJMZIF-UHFFFAOYSA-N -1 3 362.451 3.125 20 0 FGADHM CC(C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCO3)cc1 ZINC000450994776 501237630 /nfs/dbraw/zinc/23/76/30/501237630.db2.gz DCZVTDZNCQQREV-UHFFFAOYSA-N -1 3 374.462 3.407 20 0 FGADHM Cc1csc(S(=O)(=O)[N-][C@H](CC(=O)OC(C)C)c2ccccc2)c1 ZINC000451008829 501238727 /nfs/dbraw/zinc/23/87/27/501238727.db2.gz YKMLQRQSAOPELN-OAHLLOKOSA-N -1 3 367.492 3.418 20 0 FGADHM COc1ccc(OCCS(=O)(=O)[N-]c2cccc(OC(C)C)c2)cc1 ZINC000451093555 501245011 /nfs/dbraw/zinc/24/50/11/501245011.db2.gz WHPXNARZCDLSEI-UHFFFAOYSA-N -1 3 365.451 3.303 20 0 FGADHM CCN(CC)[C@@H](C[N-]S(=O)(=O)C[C@H]1CCCC1(F)F)c1ccco1 ZINC000451131749 501247347 /nfs/dbraw/zinc/24/73/47/501247347.db2.gz SRFAOVBVMPHWAM-KGLIPLIRSA-N -1 3 364.458 3.017 20 0 FGADHM CCOc1ccncc1S(=O)(=O)[N-][C@H](CC)c1ccc(F)cc1F ZINC000451217206 501252939 /nfs/dbraw/zinc/25/29/39/501252939.db2.gz OUSOOIBIKPYHTE-CQSZACIVSA-N -1 3 356.394 3.188 20 0 FGADHM CO[C@@H](C[N-]S(=O)(=O)C[C@@H]1CCCCC1(F)F)c1ccc(F)cc1 ZINC000451264187 501256234 /nfs/dbraw/zinc/25/62/34/501256234.db2.gz SFTCZTJSZWCKFD-ZFWWWQNUSA-N -1 3 365.417 3.258 20 0 FGADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)[C@@H]3CCC[C@@H]3CC)c2)[n-]1 ZINC000451283034 501257362 /nfs/dbraw/zinc/25/73/62/501257362.db2.gz FDAXSLKSYPCDEL-GOEBONIOSA-N -1 3 370.453 3.091 20 0 FGADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)[C@@H]3CCC[C@@H]3CC)c2)n[n-]1 ZINC000451283034 501257363 /nfs/dbraw/zinc/25/73/63/501257363.db2.gz FDAXSLKSYPCDEL-GOEBONIOSA-N -1 3 370.453 3.091 20 0 FGADHM C[C@H]([N-]S(=O)(=O)CCC1CCCC1)c1noc(Cc2ccccc2)n1 ZINC000451291467 501258015 /nfs/dbraw/zinc/25/80/15/501258015.db2.gz OYJOEBFFAHDRPP-AWEZNQCLSA-N -1 3 363.483 3.221 20 0 FGADHM C[N-]S(=O)(=O)c1cc(NC(=O)N2CCC[C@]2(C)CC(C)C)ccc1F ZINC000455407760 501294530 /nfs/dbraw/zinc/29/45/30/501294530.db2.gz VRYZUNLVZGSEBF-QGZVFWFLSA-N -1 3 371.478 3.166 20 0 FGADHM Cc1csc(S(=O)(=O)[N-]C[C@@H]2CCCN(c3ccccc3)C2)c1 ZINC000451480031 501301935 /nfs/dbraw/zinc/30/19/35/501301935.db2.gz NZRWIYPCLOHTBY-HNNXBMFYSA-N -1 3 350.509 3.251 20 0 FGADHM COCCC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(C)cs1 ZINC000451485373 501303699 /nfs/dbraw/zinc/30/36/99/501303699.db2.gz CQQMGWVPASPAEN-INIZCTEOSA-N -1 3 353.509 3.373 20 0 FGADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@@H](C)Cc1cnn(C)c1 ZINC000457840518 501319989 /nfs/dbraw/zinc/31/99/89/501319989.db2.gz HIAGIFCAXVWAIQ-VIFPVBQESA-N -1 3 352.232 3.014 20 0 FGADHM O=S(=O)(C[C@@H]1CCCCC1(F)F)[N-]Cc1c(F)cc(F)cc1F ZINC000451603312 501334509 /nfs/dbraw/zinc/33/45/09/501334509.db2.gz JLGTTZZRTCOLEO-VIFPVBQESA-N -1 3 357.344 3.349 20 0 FGADHM COc1ccc(Br)c(S(=O)(=O)[N-]CCCC(C)(F)F)c1 ZINC000451610219 501336503 /nfs/dbraw/zinc/33/65/03/501336503.db2.gz SKKIOUBYEDMPLQ-UHFFFAOYSA-N -1 3 372.231 3.171 20 0 FGADHM CC1(F)CC([N-]S(=O)(=O)c2cccc(Br)c2Cl)C1 ZINC000451630194 501340546 /nfs/dbraw/zinc/34/05/46/501340546.db2.gz GEQFJKZDZPCAQL-UHFFFAOYSA-N -1 3 356.644 3.271 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-]CC1(c2ccc(C)cc2C)CC1 ZINC000451644727 501342631 /nfs/dbraw/zinc/34/26/31/501342631.db2.gz ZHCSKKNMTFDVMG-UHFFFAOYSA-N -1 3 351.493 3.384 20 0 FGADHM CC[C@@H](COCC(F)(F)F)[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000451656894 501345828 /nfs/dbraw/zinc/34/58/28/501345828.db2.gz VDNOVMAXVCVTNF-VIFPVBQESA-N -1 3 363.760 3.115 20 0 FGADHM CC(C)[C@]1(C)C[C@@H]1NC(=O)Cc1csc(NC(=O)c2cccc([O-])c2)n1 ZINC000458101835 501372886 /nfs/dbraw/zinc/37/28/86/501372886.db2.gz BZRCYWRQJRWGHV-KXBFYZLASA-N -1 3 373.478 3.194 20 0 FGADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]CCCc1ncccc1C ZINC000451808580 501376826 /nfs/dbraw/zinc/37/68/26/501376826.db2.gz KFSWKWHTRNEPCE-UHFFFAOYSA-N -1 3 362.426 3.495 20 0 FGADHM CCCc1ncc(C[N-]S(=O)(=O)c2ccc(SC)c(Cl)c2)o1 ZINC000451955101 501407743 /nfs/dbraw/zinc/40/77/43/501407743.db2.gz CPABJKQJXQVTTD-UHFFFAOYSA-N -1 3 360.888 3.481 20 0 FGADHM CCCc1ncc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)o1 ZINC000451961057 501408881 /nfs/dbraw/zinc/40/88/81/501408881.db2.gz REPRHDOAQHEKET-UHFFFAOYSA-N -1 3 366.336 3.264 20 0 FGADHM CCCc1ncc(C[N-]S(=O)(=O)c2cc(Br)ccc2C)o1 ZINC000451961107 501409295 /nfs/dbraw/zinc/40/92/95/501409295.db2.gz RLQNOIVKVSEZNO-UHFFFAOYSA-N -1 3 373.272 3.177 20 0 FGADHM Cc1nc(C)c(S(=O)(=O)[N-][C@@H]2CCc3cc(F)c(F)c(F)c32)s1 ZINC000451968252 501410563 /nfs/dbraw/zinc/41/05/63/501410563.db2.gz OXBFTQOXKJGSGZ-SNVBAGLBSA-N -1 3 362.398 3.143 20 0 FGADHM CCc1nc([N-]C(=O)c2ccc(S(C)(=O)=O)o2)sc1C(C)(C)C ZINC000458285072 501411703 /nfs/dbraw/zinc/41/17/03/501411703.db2.gz ZMAYUAFCCIOEDK-UHFFFAOYSA-N -1 3 356.469 3.252 20 0 FGADHM CC1(C)COC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000451986015 501413595 /nfs/dbraw/zinc/41/35/95/501413595.db2.gz XDBSUBDYAYGSRR-NSHDSACASA-N -1 3 357.781 3.062 20 0 FGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@@H](C)[C@@H](OC)C2CC2)cc1Cl ZINC000451996413 501415164 /nfs/dbraw/zinc/41/51/64/501415164.db2.gz SAOFHYCWXFXYSE-RMLUDKJBSA-N -1 3 368.282 3.094 20 0 FGADHM COc1ccc(S(=O)(=O)[N-][C@@H](C)[C@@H](OC)C2CC2)c(Cl)c1Cl ZINC000451998924 501416118 /nfs/dbraw/zinc/41/61/18/501416118.db2.gz VGOTXDQNYUVUCL-RMLUDKJBSA-N -1 3 368.282 3.094 20 0 FGADHM COc1ccsc1S(=O)(=O)[N-][C@](C)(Cc1ccccc1)C1CC1 ZINC000452076446 501430249 /nfs/dbraw/zinc/43/02/49/501430249.db2.gz BUHUJVQOKDCHND-QGZVFWFLSA-N -1 3 351.493 3.446 20 0 FGADHM O=C(Cc1ccc([O-])c(F)c1)N1CCC(Cc2ccccc2CO)CC1 ZINC000452128093 501441739 /nfs/dbraw/zinc/44/17/39/501441739.db2.gz LVKSHPNGUDRZKJ-UHFFFAOYSA-N -1 3 357.425 3.047 20 0 FGADHM Cc1o[n-]c(=NC(=O)c2nn(-c3ccccc3)cc2OCC(C)C)c1C ZINC000452157947 501448439 /nfs/dbraw/zinc/44/84/39/501448439.db2.gz BORHKDFXXHYVFI-UHFFFAOYSA-N -1 3 354.410 3.186 20 0 FGADHM CC[C@H]1CN(CC)CCN1C(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000456340028 501503476 /nfs/dbraw/zinc/50/34/76/501503476.db2.gz ACZFAPWXYYMHJA-IBGZPJMESA-N -1 3 366.461 3.180 20 0 FGADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@H]1CCCc2nn(C)cc21 ZINC000452749448 501555788 /nfs/dbraw/zinc/55/57/88/501555788.db2.gz MEHBYNWCUSMMEC-JTQLQIEISA-N -1 3 364.243 3.255 20 0 FGADHM Cc1nc(C)n(CCCC(=O)Nc2c([O-])ccc(Br)c2C)n1 ZINC000452757542 501557822 /nfs/dbraw/zinc/55/78/22/501557822.db2.gz QFFMJEYOQLWKHM-UHFFFAOYSA-N -1 3 367.247 3.090 20 0 FGADHM COC(=O)C1CCC(C(=O)Nc2c([O-])ccc(Br)c2C)CC1 ZINC000452761767 501558501 /nfs/dbraw/zinc/55/85/01/501558501.db2.gz XQVQSBHKXGQRRE-UHFFFAOYSA-N -1 3 370.243 3.381 20 0 FGADHM C[C@](Cc1ccccc1)(NC(=O)c1ccc([N-]S(C)(=O)=O)cc1)C1CC1 ZINC000457050790 501640968 /nfs/dbraw/zinc/64/09/68/501640968.db2.gz RQMYIRRZCNDXLL-HXUWFJFHSA-N -1 3 372.490 3.199 20 0 FGADHM COCCOc1ccc(CNCc2cccc([O-])c2Br)cc1 ZINC000459381433 501643353 /nfs/dbraw/zinc/64/33/53/501643353.db2.gz VJFNVCFJVDOPMY-UHFFFAOYSA-N -1 3 366.255 3.470 20 0 FGADHM C[C@H](NCc1cc(=O)[n-]c(-c2ccccc2)n1)c1nc(C(C)(C)C)no1 ZINC000459405138 501647860 /nfs/dbraw/zinc/64/78/60/501647860.db2.gz MWXCKCYAJREYJZ-LBPRGKRZSA-N -1 3 353.426 3.381 20 0 FGADHM O=C(NCCCNCc1cccc([O-])c1Br)c1cccs1 ZINC000459423593 501651232 /nfs/dbraw/zinc/65/12/32/501651232.db2.gz ZWUCIVFRWBUEDN-UHFFFAOYSA-N -1 3 369.284 3.126 20 0 FGADHM O=c1cc(CN2CCC[C@@H](c3nc(C(F)(F)F)c[nH]3)C2)nc(C2CC2)[n-]1 ZINC000459430419 501652333 /nfs/dbraw/zinc/65/23/33/501652333.db2.gz QONMVTLKXAZGAC-LLVKDONJSA-N -1 3 367.375 3.181 20 0 FGADHM [O-]c1cccc(CNC[C@@H](CO)Cc2ccc(F)cc2)c1Br ZINC000459475320 501660114 /nfs/dbraw/zinc/66/01/14/501660114.db2.gz QAGSTRBZWNFUKK-ZDUSSCGKSA-N -1 3 368.246 3.235 20 0 FGADHM COCCN(Cc1cccc([O-])c1Br)[C@H]1CCCSC1 ZINC000459502136 501665036 /nfs/dbraw/zinc/66/50/36/501665036.db2.gz JPMBWICAYCZWKY-ZDUSSCGKSA-N -1 3 360.317 3.499 20 0 FGADHM COCCN(Cc1cncs1)Cc1cccc([O-])c1Br ZINC000459507249 501665800 /nfs/dbraw/zinc/66/58/00/501665800.db2.gz QPJOAOFUYCFJHI-UHFFFAOYSA-N -1 3 357.273 3.260 20 0 FGADHM CON1CCC(N(C)C(=O)c2cc(Oc3ccccc3)ccc2[O-])CC1 ZINC000457309731 501679722 /nfs/dbraw/zinc/67/97/22/501679722.db2.gz LXSIWBXQQSZCBK-UHFFFAOYSA-N -1 3 356.422 3.282 20 0 FGADHM CCOc1cc(CN2CC3(C2)CCOCC3)cc(Br)c1[O-] ZINC000459613199 501687073 /nfs/dbraw/zinc/68/70/73/501687073.db2.gz FZGMACQHPIEPKQ-UHFFFAOYSA-N -1 3 356.260 3.166 20 0 FGADHM COc1ccc(C(=O)Nc2nnc(-c3cc4ccccc4o3)[n-]2)c(OC)c1 ZINC000485126894 501730627 /nfs/dbraw/zinc/73/06/27/501730627.db2.gz SUMPGXMMKPPKSO-UHFFFAOYSA-N -1 3 364.361 3.487 20 0 FGADHM COc1ccc(C(=O)Nc2nc(-c3cc4ccccc4o3)n[n-]2)c(OC)c1 ZINC000485126894 501730635 /nfs/dbraw/zinc/73/06/35/501730635.db2.gz SUMPGXMMKPPKSO-UHFFFAOYSA-N -1 3 364.361 3.487 20 0 FGADHM COc1ccc(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)c(OC)c1 ZINC000485126894 501730640 /nfs/dbraw/zinc/73/06/40/501730640.db2.gz SUMPGXMMKPPKSO-UHFFFAOYSA-N -1 3 364.361 3.487 20 0 FGADHM COC(=O)c1c(F)ccc([N-]C(=O)c2cnc([C@H]3CCCO3)s2)c1F ZINC000485157646 501741379 /nfs/dbraw/zinc/74/13/79/501741379.db2.gz BZKFHHMGNYASHQ-SNVBAGLBSA-N -1 3 368.361 3.312 20 0 FGADHM CCOC(=O)[C@H](C)N(C)Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000474284878 501775657 /nfs/dbraw/zinc/77/56/57/501775657.db2.gz PPAOMPHJIWZOSG-JTQLQIEISA-N -1 3 361.423 3.040 20 0 FGADHM O=C(NCc1ccc([O-])c(Br)c1)c1c[nH]c(C(F)(F)F)c1 ZINC000481477890 501786752 /nfs/dbraw/zinc/78/67/52/501786752.db2.gz XATKXNUJVHSMPF-UHFFFAOYSA-N -1 3 363.133 3.432 20 0 FGADHM CCC[C@@H](C)CS(=O)(=O)[N-][C@@H](CO)c1c(Cl)cccc1Cl ZINC000481487898 501788729 /nfs/dbraw/zinc/78/87/29/501788729.db2.gz DIWZXUGKTHCUHL-MFKMUULPSA-N -1 3 354.299 3.382 20 0 FGADHM Cc1nc(C)c(CC(=O)NC2(c3c(Cl)cccc3Cl)CC2)c(=O)[n-]1 ZINC000470754194 501792032 /nfs/dbraw/zinc/79/20/32/501792032.db2.gz FHFCFXHIJODJIF-UHFFFAOYSA-N -1 3 366.248 3.454 20 0 FGADHM C[C@@H](NC(=O)NCc1ccc([O-])c(F)c1)c1ccc(Br)cn1 ZINC000474380617 501814014 /nfs/dbraw/zinc/81/40/14/501814014.db2.gz JQWDCCOCDVCJEV-SECBINFHSA-N -1 3 368.206 3.249 20 0 FGADHM CCOC(=O)[C@@H](Cc1cccc(Cl)c1)NCc1cc([O-])cc(F)c1 ZINC000467515930 501814158 /nfs/dbraw/zinc/81/41/58/501814158.db2.gz CDEDCSOIABIZJB-QGZVFWFLSA-N -1 3 351.805 3.449 20 0 FGADHM COc1c2ccccc2oc1C[N-]S(=O)(=O)c1cccc(C(C)=O)c1 ZINC000474385019 501816105 /nfs/dbraw/zinc/81/61/05/501816105.db2.gz SLGLLFFRIHGWBH-UHFFFAOYSA-N -1 3 359.403 3.123 20 0 FGADHM CCc1cc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)ccc1[O-] ZINC000485434675 501819465 /nfs/dbraw/zinc/81/94/65/501819465.db2.gz FNYOHGCOFQMIBY-RMKNXTFCSA-N -1 3 350.462 3.426 20 0 FGADHM CC[C@H](C)N(C)CCNC(=O)N=c1[n-]nc(-c2cccc(Cl)c2)s1 ZINC000481576046 501819943 /nfs/dbraw/zinc/81/99/43/501819943.db2.gz QWKZYQRIDIAGOI-NSHDSACASA-N -1 3 367.906 3.132 20 0 FGADHM CSc1ccc(S(=O)(=O)[N-]c2ccc(C(N)=O)cc2F)cc1Cl ZINC000463792677 501823063 /nfs/dbraw/zinc/82/30/63/501823063.db2.gz ZQECNIRIEJIUGS-UHFFFAOYSA-N -1 3 374.846 3.101 20 0 FGADHM COCc1nc(S[C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)n[n-]1 ZINC000474413762 501827613 /nfs/dbraw/zinc/82/76/13/501827613.db2.gz RRPVOTOJXBZLLY-MRVPVSSYSA-N -1 3 360.361 3.089 20 0 FGADHM COc1ccc([O-])c(C(=O)Nc2ccc(NC(=O)c3ccccc3)cn2)c1 ZINC000477916433 501827893 /nfs/dbraw/zinc/82/78/93/501827893.db2.gz FEFFRQQPJGJQPO-UHFFFAOYSA-N -1 3 363.373 3.300 20 0 FGADHM Cc1cc(CNC(=O)c2cccc([O-])c2)ccc1I ZINC000467637685 501837010 /nfs/dbraw/zinc/83/70/10/501837010.db2.gz UYIDNHBDNHKGNX-UHFFFAOYSA-N -1 3 367.186 3.235 20 0 FGADHM CCOC(=O)c1c(C(C)C)csc1[N-]C(=O)C(=O)N1C[C@@H](C)C[C@@H]1C ZINC000467679767 501844304 /nfs/dbraw/zinc/84/43/04/501844304.db2.gz CACXNMLSASWRCT-RYUDHWBXSA-N -1 3 366.483 3.244 20 0 FGADHM C[C@H](Oc1ccccc1F)C(=O)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1 ZINC000467709557 501849982 /nfs/dbraw/zinc/84/99/82/501849982.db2.gz XHBKRCSMOQWBRO-JTQLQIEISA-N -1 3 361.323 3.322 20 0 FGADHM Cc1noc(-c2ccccc2)c1[N-]C(=O)c1cnc2c(c1)NC(=O)CS2 ZINC000478086841 501876961 /nfs/dbraw/zinc/87/69/61/501876961.db2.gz OUGZOJDFJDVGOZ-UHFFFAOYSA-N -1 3 366.402 3.342 20 0 FGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)[C@H]1CCSc2ccccc21 ZINC000460691040 501897397 /nfs/dbraw/zinc/89/73/97/501897397.db2.gz PZXWPCVGARSFAS-ZDUSSCGKSA-N -1 3 362.476 3.276 20 0 FGADHM CN(C)Cc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1Cl ZINC000481859989 501901652 /nfs/dbraw/zinc/90/16/52/501901652.db2.gz AJWOIMNRKODTRQ-UHFFFAOYSA-N -1 3 360.813 3.481 20 0 FGADHM CCc1cc(C(=O)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)ccc1[O-] ZINC000485701224 501906619 /nfs/dbraw/zinc/90/66/19/501906619.db2.gz MKPIELOUCGODFE-QGZVFWFLSA-N -1 3 352.434 3.446 20 0 FGADHM COCc1cccc(S(=O)(=O)[N-]c2ccc(CN(C)C)c(Cl)c2)c1 ZINC000481894580 501911114 /nfs/dbraw/zinc/91/11/14/501911114.db2.gz VSPGBCBPDOJSIK-UHFFFAOYSA-N -1 3 368.886 3.349 20 0 FGADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)C1(c2ccc(F)cc2)CCCCC1 ZINC000481903950 501914021 /nfs/dbraw/zinc/91/40/21/501914021.db2.gz JBXGGTXWDYKJPH-UHFFFAOYSA-N -1 3 370.350 3.481 20 0 FGADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)C1(c2ccc(F)cc2)CCCCC1 ZINC000481903950 501914024 /nfs/dbraw/zinc/91/40/24/501914024.db2.gz JBXGGTXWDYKJPH-UHFFFAOYSA-N -1 3 370.350 3.481 20 0 FGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)C1(c2ccc(F)cc2)CCCCC1 ZINC000481903950 501914027 /nfs/dbraw/zinc/91/40/27/501914027.db2.gz JBXGGTXWDYKJPH-UHFFFAOYSA-N -1 3 370.350 3.481 20 0 FGADHM O=C(CSc1ccc2ccccc2c1)NCc1nnc(C(F)(F)F)[n-]1 ZINC000481919066 501917459 /nfs/dbraw/zinc/91/74/59/501917459.db2.gz HUORVVGDIGIKPZ-UHFFFAOYSA-N -1 3 366.368 3.385 20 0 FGADHM O=C(CSc1ccc2ccccc2c1)NCc1n[n-]c(C(F)(F)F)n1 ZINC000481919066 501917460 /nfs/dbraw/zinc/91/74/60/501917460.db2.gz HUORVVGDIGIKPZ-UHFFFAOYSA-N -1 3 366.368 3.385 20 0 FGADHM O=C(CSc1ccc2ccccc2c1)NCc1nc(C(F)(F)F)n[n-]1 ZINC000481919066 501917463 /nfs/dbraw/zinc/91/74/63/501917463.db2.gz HUORVVGDIGIKPZ-UHFFFAOYSA-N -1 3 366.368 3.385 20 0 FGADHM COc1ccc(C(=O)N(C)C)cc1[N-]C(=O)c1scnc1C(F)(F)F ZINC000485735757 501920195 /nfs/dbraw/zinc/92/01/95/501920195.db2.gz SLPZBZZLKYBYFJ-UHFFFAOYSA-N -1 3 373.356 3.125 20 0 FGADHM O=C(Nc1nnc(-c2c(F)cccc2F)[n-]1)[C@H]1Cc2ccccc2S1 ZINC000478313062 501940029 /nfs/dbraw/zinc/94/00/29/501940029.db2.gz JXFKIGGXBRRBIK-CYBMUJFWSA-N -1 3 358.373 3.405 20 0 FGADHM O=C(Nc1nc(-c2c(F)cccc2F)n[n-]1)[C@H]1Cc2ccccc2S1 ZINC000478313062 501940033 /nfs/dbraw/zinc/94/00/33/501940033.db2.gz JXFKIGGXBRRBIK-CYBMUJFWSA-N -1 3 358.373 3.405 20 0 FGADHM O=C(Nc1n[n-]c(-c2c(F)cccc2F)n1)[C@H]1Cc2ccccc2S1 ZINC000478313062 501940036 /nfs/dbraw/zinc/94/00/36/501940036.db2.gz JXFKIGGXBRRBIK-CYBMUJFWSA-N -1 3 358.373 3.405 20 0 FGADHM COCCOc1ccccc1C(=O)Nc1nnc(-c2c(F)cccc2F)[n-]1 ZINC000478319331 501942579 /nfs/dbraw/zinc/94/25/79/501942579.db2.gz ZRCZWXJGONYBNN-UHFFFAOYSA-N -1 3 374.347 3.027 20 0 FGADHM COCCOc1ccccc1C(=O)Nc1nc(-c2c(F)cccc2F)n[n-]1 ZINC000478319331 501942584 /nfs/dbraw/zinc/94/25/84/501942584.db2.gz ZRCZWXJGONYBNN-UHFFFAOYSA-N -1 3 374.347 3.027 20 0 FGADHM COCCOc1ccccc1C(=O)Nc1n[n-]c(-c2c(F)cccc2F)n1 ZINC000478319331 501942586 /nfs/dbraw/zinc/94/25/86/501942586.db2.gz ZRCZWXJGONYBNN-UHFFFAOYSA-N -1 3 374.347 3.027 20 0 FGADHM CCc1cc(C(=O)N2CCC[C@@H](C(=O)Nc3ccc(C)cn3)C2)ccc1[O-] ZINC000485803166 501943778 /nfs/dbraw/zinc/94/37/78/501943778.db2.gz NOQMBNXOKWRVHJ-QGZVFWFLSA-N -1 3 367.449 3.149 20 0 FGADHM CCCC1(C(=O)Nc2ccc(S(=O)(=O)[N-]CC(F)(F)F)cc2)CC1 ZINC000471173664 501946189 /nfs/dbraw/zinc/94/61/89/501946189.db2.gz SWTRCGYSLQYBBU-UHFFFAOYSA-N -1 3 364.389 3.046 20 0 FGADHM COC(=O)c1sc2[n-]c(CN3CC[C@H]3c3ccccc3)nc(=O)c2c1C ZINC000471183390 501948340 /nfs/dbraw/zinc/94/83/40/501948340.db2.gz XMVPHBRCNGYJNV-ZDUSSCGKSA-N -1 3 369.446 3.027 20 0 FGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)N[C@H]1C[C@@H]1c1ccccc1 ZINC000482047247 501957094 /nfs/dbraw/zinc/95/70/94/501957094.db2.gz JVLPGOADVZKVPD-CABCVRRESA-N -1 3 371.238 3.196 20 0 FGADHM CN(C[C@@H]1CC=CCC1)C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482049771 501958073 /nfs/dbraw/zinc/95/80/73/501958073.db2.gz NWWSOGNAKCPYQD-GFCCVEGCSA-N -1 3 363.259 3.339 20 0 FGADHM C[C@]1(c2cccc(NC(=O)c3ccc4sccc4c3)c2)NC(=O)[N-]C1=O ZINC000471234013 501963037 /nfs/dbraw/zinc/96/30/37/501963037.db2.gz MCVGUOZHVZBONV-LJQANCHMSA-N -1 3 365.414 3.208 20 0 FGADHM CCc1ncc(S(=O)(=O)[N-]Cc2ccc(-c3ccncc3)cc2)s1 ZINC000460940345 501963910 /nfs/dbraw/zinc/96/39/10/501963910.db2.gz VIQZXGZESBZCIO-UHFFFAOYSA-N -1 3 359.476 3.246 20 0 FGADHM O=C([N-]c1nccn1Cc1ccccc1)C(=O)Nc1ccc(Cl)c(F)c1 ZINC000485859768 501964495 /nfs/dbraw/zinc/96/44/95/501964495.db2.gz CWCZYTATKMZKSL-UHFFFAOYSA-N -1 3 372.787 3.301 20 0 FGADHM COc1cc(Br)cc(C)c1NC(=O)NCc1ncccc1[O-] ZINC000471241548 501965390 /nfs/dbraw/zinc/96/53/90/501965390.db2.gz QYGIBVXSBOJDNJ-UHFFFAOYSA-N -1 3 366.215 3.188 20 0 FGADHM CCc1ncc(S(=O)(=O)[N-][C@@H](C)c2nc(C3CCCCC3)no2)s1 ZINC000460965757 501972880 /nfs/dbraw/zinc/97/28/80/501972880.db2.gz FWJXLFCHRVHAQM-JTQLQIEISA-N -1 3 370.500 3.176 20 0 FGADHM C[C@H](c1ccccn1)N(C)C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482111221 501977494 /nfs/dbraw/zinc/97/74/94/501977494.db2.gz CJKHJRKOQPXVKB-LLVKDONJSA-N -1 3 374.242 3.139 20 0 FGADHM CC(C)OC(=O)c1ccc(Cl)c(NC(=O)NCc2ncccc2[O-])c1 ZINC000471284883 501978256 /nfs/dbraw/zinc/97/82/56/501978256.db2.gz AFJQGLFYODGUND-UHFFFAOYSA-N -1 3 363.801 3.328 20 0 FGADHM CCc1cc(C(=O)N[C@H](CN2CCCC2=O)c2ccccc2)ccc1[O-] ZINC000485933791 501992402 /nfs/dbraw/zinc/99/24/02/501992402.db2.gz OXIBLFYWNHOQRR-GOSISDBHSA-N -1 3 352.434 3.048 20 0 FGADHM CC[C@H]1CCC[C@@H]1NC(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482164286 501994306 /nfs/dbraw/zinc/99/43/06/501994306.db2.gz ABISKUFDYWUXMS-GWCFXTLKSA-N -1 3 351.248 3.219 20 0 FGADHM Cc1cccc(CCNC(=O)N=c2cc3ccc(Br)cn3[n-]2)c1 ZINC000482180813 502000388 /nfs/dbraw/zinc/00/03/88/502000388.db2.gz CVYBDKJIYNLUBV-UHFFFAOYSA-N -1 3 373.254 3.191 20 0 FGADHM Cc1cccc(CN(C)C(=O)N=c2cc3ccc(Br)cn3[n-]2)c1 ZINC000482201152 502006303 /nfs/dbraw/zinc/00/63/03/502006303.db2.gz RBRPRMRLMSVQJG-UHFFFAOYSA-N -1 3 373.254 3.491 20 0 FGADHM Cc1nc(-c2cccs2)sc1C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000482214802 502009364 /nfs/dbraw/zinc/00/93/64/502009364.db2.gz AGSXWFOTZDODTQ-UHFFFAOYSA-N -1 3 373.385 3.247 20 0 FGADHM Cc1nc(-c2cccs2)sc1C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000482214802 502009369 /nfs/dbraw/zinc/00/93/69/502009369.db2.gz AGSXWFOTZDODTQ-UHFFFAOYSA-N -1 3 373.385 3.247 20 0 FGADHM Cc1nc(-c2cccs2)sc1C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000482214802 502009374 /nfs/dbraw/zinc/00/93/74/502009374.db2.gz AGSXWFOTZDODTQ-UHFFFAOYSA-N -1 3 373.385 3.247 20 0 FGADHM C[C@@H]1CC[C@H](N(C)C(=O)N=c2cc3ccc(Br)cn3[n-]2)C1 ZINC000482212802 502009396 /nfs/dbraw/zinc/00/93/96/502009396.db2.gz PYLGJTSEOOFUSQ-PWSUYJOCSA-N -1 3 351.248 3.171 20 0 FGADHM CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@H](CC)c2cccs2)c1 ZINC000485982185 502010465 /nfs/dbraw/zinc/01/04/65/502010465.db2.gz VBEMGSZCUBYGME-CQSZACIVSA-N -1 3 371.455 3.494 20 0 FGADHM CCCn1c(=O)[n-]nc1S[C@@H](C(=O)OCC)c1cccc(Cl)c1 ZINC000478549871 502015580 /nfs/dbraw/zinc/01/55/80/502015580.db2.gz AZTDTULYZVZVKN-GFCCVEGCSA-N -1 3 355.847 3.444 20 0 FGADHM CCCn1c(=O)[n-]nc1S[C@H](C(=O)OCC)c1cccc(Cl)c1 ZINC000478549872 502015748 /nfs/dbraw/zinc/01/57/48/502015748.db2.gz 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20 0 FGADHM COc1nc(NC(=O)c2sc3ccc(Br)cc3c2C)n[n-]1 ZINC000496198703 502878086 /nfs/dbraw/zinc/87/80/86/502878086.db2.gz VJUXBIFULVASLO-UHFFFAOYSA-N -1 3 367.228 3.351 20 0 FGADHM COc1n[n-]c(NC(=O)c2sc3ccc(Br)cc3c2C)n1 ZINC000496198703 502878092 /nfs/dbraw/zinc/87/80/92/502878092.db2.gz VJUXBIFULVASLO-UHFFFAOYSA-N -1 3 367.228 3.351 20 0 FGADHM Cc1nc(-c2ccc(NC(=O)N[C@H](CO)CC3CCCC3)cc2)cc(=O)[n-]1 ZINC000509359176 502883242 /nfs/dbraw/zinc/88/32/42/502883242.db2.gz WZNWECRIJUECFY-KRWDZBQOSA-N -1 3 370.453 3.220 20 0 FGADHM Cc1ccc([O-])c(CN(C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)n1 ZINC000509360423 502884055 /nfs/dbraw/zinc/88/40/55/502884055.db2.gz WIGJEIBBLSZPLU-SJORKVTESA-N -1 3 353.249 3.493 20 0 FGADHM COCCc1nnc(-c2cccc(C(=O)Nc3cc(F)ccc3[O-])c2)o1 ZINC000489161118 502890510 /nfs/dbraw/zinc/89/05/10/502890510.db2.gz IHQCZYICBUNCNL-UHFFFAOYSA-N -1 3 357.341 3.023 20 0 FGADHM CC[C@@H](C)[C@@H](O)C[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000509428661 502899914 /nfs/dbraw/zinc/89/99/14/502899914.db2.gz DRLOUFXRJLYNSA-KCJUWKMLSA-N -1 3 359.797 3.044 20 0 FGADHM COC(=O)C[C@@H]([N-]S(=O)(=O)c1ccoc1)c1ccc(C(C)(C)C)cc1 ZINC000509432175 502900741 /nfs/dbraw/zinc/90/07/41/502900741.db2.gz PZTNCPKCPNOBPV-MRXNPFEDSA-N -1 3 365.451 3.160 20 0 FGADHM CCc1ccc([C@H](COC)[N-]S(=O)(=O)CCc2cccc(Cl)c2)o1 ZINC000509456852 502907721 /nfs/dbraw/zinc/90/77/21/502907721.db2.gz ZGOYFKZZSFDUKV-INIZCTEOSA-N -1 3 371.886 3.345 20 0 FGADHM Cc1nc2ccccc2n1CCC(=O)Nc1n[n-]c(-c2ccccc2F)n1 ZINC000497075830 502919396 /nfs/dbraw/zinc/91/93/96/502919396.db2.gz BJVAVVCTHUKVSN-UHFFFAOYSA-N -1 3 364.384 3.298 20 0 FGADHM COC(=O)c1cc(C(=O)Nc2ccc(Cc3nc(C(C)C)no3)cc2)c[n-]1 ZINC000513424791 502934883 /nfs/dbraw/zinc/93/48/83/502934883.db2.gz KNLIUOAYTZBDOJ-UHFFFAOYSA-N -1 3 368.393 3.151 20 0 FGADHM COCCC[C@H](C[N-]S(=O)(=O)c1ccco1)c1ccc(Cl)cc1 ZINC000509568390 502937349 /nfs/dbraw/zinc/93/73/49/502937349.db2.gz DBCZXGSEBCCLRI-CQSZACIVSA-N -1 3 357.859 3.422 20 0 FGADHM O=S(=O)([N-]C[C@@H](OCC1CC1)c1ccc(Cl)cc1)c1ccccn1 ZINC000509710125 502973098 /nfs/dbraw/zinc/97/30/98/502973098.db2.gz GGHNVCKIQGPHGH-MRXNPFEDSA-N -1 3 366.870 3.181 20 0 FGADHM COC(=O)c1cc(C(=O)Nc2cc(F)cc(NCC(F)(F)F)c2)c[n-]1 ZINC000509718141 502974340 /nfs/dbraw/zinc/97/43/40/502974340.db2.gz FYQYGAXOILWAIZ-UHFFFAOYSA-N -1 3 359.279 3.167 20 0 FGADHM O=c1[n-]c(CN2CCC[C@H]2c2ccc[nH]2)nc2c1cnn2-c1ccccc1 ZINC000505847619 502998684 /nfs/dbraw/zinc/99/86/84/502998684.db2.gz COCKLFDIDNBTLH-KRWDZBQOSA-N -1 3 360.421 3.186 20 0 FGADHM O=S(=O)([N-][C@@H]1C[C@H]2OCCC[C@H]12)c1cc(Cl)ccc1C(F)(F)F ZINC000509939369 503015159 /nfs/dbraw/zinc/01/51/59/503015159.db2.gz LZZFWGDJZHEMSY-YUSALJHKSA-N -1 3 369.792 3.205 20 0 FGADHM CC(C)n1cnc(S(=O)(=O)[N-][C@H]2C[C@H]2c2ccccc2C(F)(F)F)c1 ZINC000513791120 503023833 /nfs/dbraw/zinc/02/38/33/503023833.db2.gz JUCDOACTEQDPHJ-JSGCOSHPSA-N -1 3 373.400 3.317 20 0 FGADHM CCOc1ccc(NC(=O)c2ccc(C(=O)OC)[n-]2)cc1Br ZINC000501576436 503042526 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C[C@H](Sc1nnnn1C1CC1)C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000506243193 503076594 /nfs/dbraw/zinc/07/65/94/503076594.db2.gz JDIQSLWXQAZAQZ-JTQLQIEISA-N -1 3 361.471 3.130 20 0 FGADHM CC(C)(C)c1ccc(NC(=O)CCOc2cccc(C(N)=O)c2)c([O-])c1 ZINC000506244644 503076796 /nfs/dbraw/zinc/07/67/96/503076796.db2.gz YUXYOYZCOKHDTQ-UHFFFAOYSA-N -1 3 356.422 3.196 20 0 FGADHM CC=Cc1ccc(NC(=O)c2cnc3c(c2)c(=O)[n-]c(=O)n3CCC)cc1 ZINC000489970741 503078585 /nfs/dbraw/zinc/07/85/85/503078585.db2.gz GZRIYAUZSQXVNB-HWKANZROSA-N -1 3 364.405 3.193 20 0 FGADHM CS(=O)(=O)[N-]c1cc(NC(=O)c2c[nH]cc2-c2ccccc2)ccc1F ZINC000514082688 503082840 /nfs/dbraw/zinc/08/28/40/503082840.db2.gz IXPHJBFHXKDCDT-UHFFFAOYSA-N -1 3 373.409 3.445 20 0 FGADHM C[C@@](O)(CNC(=O)Cc1ccc(Br)cc1[O-])C1CCCCC1 ZINC000506281801 503085208 /nfs/dbraw/zinc/08/52/08/503085208.db2.gz SSFHWUKRFMEFRW-QGZVFWFLSA-N -1 3 370.287 3.145 20 0 FGADHM CC[C@H](C)[C@@H]([N-]S(C)(=O)=O)C(=O)Nc1ccc2c(c1)oc1ccccc12 ZINC000510314380 503090242 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Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](c2nccn2C)C2CC2)c1Cl ZINC000510449856 503117570 /nfs/dbraw/zinc/11/75/70/503117570.db2.gz PJYGBGRTOGCALU-CYBMUJFWSA-N -1 3 374.293 3.465 20 0 FGADHM Cc1oc(C(C)C)cc1C(=O)Nc1cccc([C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000506496532 503126415 /nfs/dbraw/zinc/12/64/15/503126415.db2.gz RCVZMXSIUFFVTB-IBGZPJMESA-N -1 3 355.394 3.018 20 0 FGADHM COC(=O)c1ccc([N-]S(=O)(=O)CCc2cccc(Cl)c2)cc1 ZINC000506544381 503134806 /nfs/dbraw/zinc/13/48/06/503134806.db2.gz BVSQGERJDSGXRZ-UHFFFAOYSA-N -1 3 353.827 3.111 20 0 FGADHM C[C@H]1CSC[C@@H]1[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000510537135 503137192 /nfs/dbraw/zinc/13/71/92/503137192.db2.gz GQACOQJZAIDDLZ-XVKPBYJWSA-N -1 3 370.721 3.132 20 0 FGADHM O=C(c1ccc(C(=O)N2C[C@H](CO)c3ccccc32)cc1)c1cccc([O-])c1 ZINC000498305434 503154973 /nfs/dbraw/zinc/15/49/73/503154973.db2.gz JGWARCPQBMRUHM-GOSISDBHSA-N -1 3 373.408 3.360 20 0 FGADHM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]Cc1occc1C ZINC000490335227 503156771 /nfs/dbraw/zinc/15/67/71/503156771.db2.gz KDOWBXKJZNCEDV-GFCCVEGCSA-N -1 3 373.858 3.134 20 0 FGADHM COC(=O)C[C@@H](NC(=O)c1csc(=O)[n-]1)c1cccc2ccccc21 ZINC000490486892 503181537 /nfs/dbraw/zinc/18/15/37/503181537.db2.gz SCJXDCJSBFBKNN-CQSZACIVSA-N -1 3 356.403 3.036 20 0 FGADHM CC[C@@H](C)CS(=O)(=O)[N-][C@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000502439491 503200212 /nfs/dbraw/zinc/20/02/12/503200212.db2.gz WYCGXNZDUPJZBJ-QAPCUYQASA-N -1 3 360.479 3.332 20 0 FGADHM CCn1cc(S(=O)(=O)[N-][C@@H](c2ccc(F)cc2)C2CCC2)nc1C ZINC000502452226 503202049 /nfs/dbraw/zinc/20/20/49/503202049.db2.gz SOAKQENVNQWVNF-QGZVFWFLSA-N -1 3 351.447 3.170 20 0 FGADHM CCn1cc(S(=O)(=O)[N-]Cc2cccc(COC(C)(C)C)c2)nc1C ZINC000502459516 503203213 /nfs/dbraw/zinc/20/32/13/503203213.db2.gz XMIDPEPYYNIDKU-UHFFFAOYSA-N -1 3 365.499 3.005 20 0 FGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1C[C@H](C)c2ccccc21 ZINC000510896995 503213233 /nfs/dbraw/zinc/21/32/33/503213233.db2.gz WMBKLUFQEJMJOJ-AWEZNQCLSA-N -1 3 374.444 3.223 20 0 FGADHM C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N(C)C[C@@H](C)c1ccccc1 ZINC000514866518 503214856 /nfs/dbraw/zinc/21/48/56/503214856.db2.gz LGRXLQDSBNFGBL-HZPDHXFCSA-N -1 3 354.450 3.125 20 0 FGADHM COc1cc(F)cc2sc(NC(=O)c3cc(=O)[n-]c(C4CC4)n3)nc21 ZINC000514871600 503215445 /nfs/dbraw/zinc/21/54/45/503215445.db2.gz RAWFWQURNVCIIS-UHFFFAOYSA-N -1 3 360.370 3.069 20 0 FGADHM O=C1C[C@H](NCc2c(F)ccc([O-])c2F)CN1c1ccccc1Cl ZINC000510968612 503227157 /nfs/dbraw/zinc/22/71/57/503227157.db2.gz NUHUVYNNLOTZTP-JTQLQIEISA-N -1 3 352.768 3.219 20 0 FGADHM COC(=O)c1cc(C(=O)Nc2cnc(N3CCCC[C@H]3C)c(C)c2)c[n-]1 ZINC000498645518 503231703 /nfs/dbraw/zinc/23/17/03/503231703.db2.gz YEAQUORRADSLJK-CYBMUJFWSA-N -1 3 356.426 3.136 20 0 FGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)c1ccc2n[nH]cc2c1 ZINC000510997880 503233216 /nfs/dbraw/zinc/23/32/16/503233216.db2.gz DGGYOIAVTITDMV-SNVBAGLBSA-N -1 3 365.842 3.264 20 0 FGADHM COCC[C@H](NC(=O)Cc1ccc(Br)cc1[O-])c1ccco1 ZINC000498677942 503237361 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C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)N=c1cc(OC(F)F)n(C)[n-]1 ZINC000490984233 503255901 /nfs/dbraw/zinc/25/59/01/503255901.db2.gz CKBHKOHMPXQAHY-NSHDSACASA-N -1 3 367.396 3.147 20 0 FGADHM O=C(c1c[n-]c2c(F)cc(F)cc2c1=O)N1CC[C@H](c2ccccc2)C1 ZINC000490999145 503258225 /nfs/dbraw/zinc/25/82/25/503258225.db2.gz KLVZBKKPECSPLR-ZDUSSCGKSA-N -1 3 354.356 3.436 20 0 FGADHM COC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1CCC[C@H](C(C)C)CC1 ZINC000498776011 503261428 /nfs/dbraw/zinc/26/14/28/503261428.db2.gz WOAUMTMQEFQZAL-ZDUSSCGKSA-N -1 3 366.483 3.066 20 0 FGADHM O=S(=O)([N-][C@@H](CO)CC1CCCC1)c1cc(Cl)ccc1Cl ZINC000511143531 503268295 /nfs/dbraw/zinc/26/82/95/503268295.db2.gz DSDGXFDEOVBMTD-GFCCVEGCSA-N -1 3 352.283 3.213 20 0 FGADHM C[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1F)COCc1ccccc1 ZINC000507293834 503271424 /nfs/dbraw/zinc/27/14/24/503271424.db2.gz CDUZVAARNSHEEM-CYBMUJFWSA-N -1 3 355.406 3.096 20 0 FGADHM CC(C)C[C@@H](NC(=O)c1cncc([N-]S(C)(=O)=O)c1)c1cccs1 ZINC000502835551 503284528 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O=C(Nc1cccc(OCc2ccccn2)c1)c1cc(F)cc2nn[n-]c21 ZINC000503021250 503327816 /nfs/dbraw/zinc/32/78/16/503327816.db2.gz IMQCVBNXPFEFID-UHFFFAOYSA-N -1 3 363.352 3.323 20 0 FGADHM O=C(Nc1cccc(OCc2ccccn2)c1)c1cc(F)cc2n[n-]nc21 ZINC000503021250 503327819 /nfs/dbraw/zinc/32/78/19/503327819.db2.gz IMQCVBNXPFEFID-UHFFFAOYSA-N -1 3 363.352 3.323 20 0 FGADHM CC(C)OCCS(=O)(=O)[N-]c1cc(F)c(F)cc1N1CCCCC1 ZINC000515445801 503339229 /nfs/dbraw/zinc/33/92/29/503339229.db2.gz ZWDGMKDHABXCPZ-UHFFFAOYSA-N -1 3 362.442 3.122 20 0 FGADHM CCc1ccccc1Cc1nc(-c2ccc([N-]S(C)(=O)=O)cc2)no1 ZINC000515478190 503346281 /nfs/dbraw/zinc/34/62/81/503346281.db2.gz NYIVREBRDREUJN-UHFFFAOYSA-N -1 3 357.435 3.261 20 0 FGADHM Cc1nnc([N-]C(=O)c2cnn(-c3ncccc3Cl)c2C(F)F)s1 ZINC000503137035 503353361 /nfs/dbraw/zinc/35/33/61/503353361.db2.gz JYSQEXFNNBBCAL-UHFFFAOYSA-N -1 3 370.772 3.271 20 0 FGADHM CN(C)c1ccc(NC(=O)c2cc(F)cc3[n-]nnc32)c(C(F)(F)F)c1 ZINC000503171217 503359843 /nfs/dbraw/zinc/35/98/43/503359843.db2.gz 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503405947 /nfs/dbraw/zinc/40/59/47/503405947.db2.gz LPDVYRLXLWAJBW-UHFFFAOYSA-N -1 3 350.426 3.355 20 0 FGADHM CCCN(CC)c1ccc(C(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000503420668 503405950 /nfs/dbraw/zinc/40/59/50/503405950.db2.gz LPDVYRLXLWAJBW-UHFFFAOYSA-N -1 3 350.426 3.355 20 0 FGADHM CCCN(C(=O)c1cnc2c(cnn2C)c1[O-])[C@@H]1CCc2ccccc21 ZINC000511916931 503414682 /nfs/dbraw/zinc/41/46/82/503414682.db2.gz QPAPBOOZSURZBH-QGZVFWFLSA-N -1 3 350.422 3.214 20 0 FGADHM Cc1ccc(F)c(S(=O)(=O)[N-][C@@H](COCC(C)C)c2ccco2)c1 ZINC000508025313 503415388 /nfs/dbraw/zinc/41/53/88/503415388.db2.gz RJLUKDQCIUMFEX-HNNXBMFYSA-N -1 3 355.431 3.419 20 0 FGADHM Cc1cc(C(=O)NC(c2ccc(F)cc2)c2ccc(F)cc2)[n-]c(=O)n1 ZINC000508037764 503417321 /nfs/dbraw/zinc/41/73/21/503417321.db2.gz AKSUHOWZLIWQMF-UHFFFAOYSA-N -1 3 355.344 3.288 20 0 FGADHM CCN=c1[n-]c(C(=O)N(C)Cc2cccc(Br)c2)cs1 ZINC000493503529 503430159 /nfs/dbraw/zinc/43/01/59/503430159.db2.gz NRFABNRQHFXUBJ-UHFFFAOYSA-N -1 3 354.273 3.032 20 0 FGADHM O=C(c1cc2sccc2s1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000515996077 503430489 /nfs/dbraw/zinc/43/04/89/503430489.db2.gz JHMXPLHQWASOOP-UHFFFAOYSA-N -1 3 372.471 3.267 20 0 FGADHM CS(=O)(=O)[N-]c1ccc(-c2nc([C@@H]3C[C@H]3c3ccccc3)no2)cc1 ZINC000511996093 503430902 /nfs/dbraw/zinc/43/09/02/503430902.db2.gz XMIDGZQGXWQLSV-JKSUJKDBSA-N -1 3 355.419 3.379 20 0 FGADHM C[C@@]1(C(=O)[O-])CCCN(Cc2nn(-c3ccc(F)cc3)c3c2CCC3)C1 ZINC000516076342 503441116 /nfs/dbraw/zinc/44/11/16/503441116.db2.gz OWCPIGBWPUAFOM-HXUWFJFHSA-N -1 3 357.429 3.187 20 0 FGADHM COC[C@@]1(C(=O)[O-])CCCN(Cc2ccc(Br)c(C)c2)C1 ZINC000516077193 503442096 /nfs/dbraw/zinc/44/20/96/503442096.db2.gz ZKORTMBXZRTCSF-MRXNPFEDSA-N -1 3 356.260 3.071 20 0 FGADHM Cc1cc(C(=O)N(C)[C@@H](C)c2ccccc2Br)[n-]c(=O)n1 ZINC000503605457 503445646 /nfs/dbraw/zinc/44/56/46/503445646.db2.gz XXAVKJYGGJTRGU-JTQLQIEISA-N -1 3 350.216 3.086 20 0 FGADHM CC[C@H](C)[C@H]([N-]S(=O)(=O)c1cc(COC)ccc1OC)C(F)(F)F ZINC000508182224 503446983 /nfs/dbraw/zinc/44/69/83/503446983.db2.gz SMRCCHJXDXBQOI-HZMBPMFUSA-N -1 3 369.405 3.097 20 0 FGADHM C[C@@H]1SCCN(C(=O)c2cc(F)cc3[n-]nnc32)[C@@H]1c1ccccc1 ZINC000503634372 503449514 /nfs/dbraw/zinc/44/95/14/503449514.db2.gz HZDOKADUHDDHGX-GTNSWQLSSA-N -1 3 356.426 3.416 20 0 FGADHM C[C@@H]1SCCN(C(=O)c2cc(F)cc3nn[n-]c32)[C@@H]1c1ccccc1 ZINC000503634372 503449517 /nfs/dbraw/zinc/44/95/17/503449517.db2.gz HZDOKADUHDDHGX-GTNSWQLSSA-N -1 3 356.426 3.416 20 0 FGADHM C[C@@H]1SCCN(C(=O)c2cc(F)cc3n[n-]nc32)[C@@H]1c1ccccc1 ZINC000503634372 503449519 /nfs/dbraw/zinc/44/95/19/503449519.db2.gz HZDOKADUHDDHGX-GTNSWQLSSA-N -1 3 356.426 3.416 20 0 FGADHM CC[C@H](NC(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)C(C)(C)C ZINC000493972024 503468173 /nfs/dbraw/zinc/46/81/73/503468173.db2.gz QJABXJKQOTZWTB-HNNXBMFYSA-N -1 3 371.478 3.213 20 0 FGADHM COc1ccc(S(=O)(=O)[N-][C@@H](C)[C@H]2CCCOC2)c(Cl)c1Cl ZINC000503763810 503468492 /nfs/dbraw/zinc/46/84/92/503468492.db2.gz JDGQOXUBGKUOTE-UWVGGRQHSA-N -1 3 368.282 3.095 20 0 FGADHM CC(C)(C)[C@@H]1C[C@H](NC(=O)Cc2ccc(Br)cc2[O-])CCO1 ZINC000494089246 503486043 /nfs/dbraw/zinc/48/60/43/503486043.db2.gz LJACZVRBQDOPGG-HIFRSBDPSA-N -1 3 370.287 3.407 20 0 FGADHM CO[C@H](CS(=O)(=O)[N-]c1ccc(-c2csc(C)n2)cc1)C1CC1 ZINC000516288528 503489305 /nfs/dbraw/zinc/48/93/05/503489305.db2.gz JRPQGZGUUMQGQW-MRXNPFEDSA-N -1 3 352.481 3.285 20 0 FGADHM CCC(CC)n1ccc(C(=O)Nc2nc3cccc(C(=O)OC)c3[n-]2)n1 ZINC000494129868 503492555 /nfs/dbraw/zinc/49/25/55/503492555.db2.gz CBFSUERPTNZGII-UHFFFAOYSA-N -1 3 355.398 3.159 20 0 FGADHM CCC(CC)n1ccc(C(=O)Nc2nc3c(cccc3C(=O)OC)[n-]2)n1 ZINC000494129868 503492559 /nfs/dbraw/zinc/49/25/59/503492559.db2.gz CBFSUERPTNZGII-UHFFFAOYSA-N -1 3 355.398 3.159 20 0 FGADHM Cc1cc(C(=O)NC[C@H](c2cccc(Cl)c2)N2CCOCC2)ccc1[O-] ZINC000499847116 503494052 /nfs/dbraw/zinc/49/40/52/503494052.db2.gz LDBBBCPQPGWZDA-GOSISDBHSA-N -1 3 374.868 3.157 20 0 FGADHM C[C@H](NC(=O)c1cc(F)cc2nn[n-]c21)c1ccc(OC(F)(F)F)cc1 ZINC000503991338 503505888 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CCc1noc(CC)c1C[N-]S(=O)(=O)c1cc(Cl)cc(COC)c1 ZINC000518010675 503888027 /nfs/dbraw/zinc/88/80/27/503888027.db2.gz HFZNKUZZIFQQEQ-UHFFFAOYSA-N -1 3 372.874 3.078 20 0 FGADHM C[C@H](CN1CCC[C@H](C)C1)NC(=O)c1cccc(Br)c1[O-] ZINC000518032099 503895722 /nfs/dbraw/zinc/89/57/22/503895722.db2.gz SMWLOPYORCVAQZ-NWDGAFQWSA-N -1 3 355.276 3.005 20 0 FGADHM COC(=O)[C@@H](C)Cc1ccc(NC(=O)c2cc(-c3ccco3)[n-]n2)cc1 ZINC000546841992 503898136 /nfs/dbraw/zinc/89/81/36/503898136.db2.gz UPPISQFYIHLXNJ-LBPRGKRZSA-N -1 3 353.378 3.274 20 0 FGADHM COC(=O)[C@@H](C)Cc1ccc(NC(=O)c2cc(-c3ccco3)n[n-]2)cc1 ZINC000546841992 503898142 /nfs/dbraw/zinc/89/81/42/503898142.db2.gz UPPISQFYIHLXNJ-LBPRGKRZSA-N -1 3 353.378 3.274 20 0 FGADHM Cc1nc(C)c(CCC(=O)NCC2CCc3ccccc3CC2)c(=O)[n-]1 ZINC000530263824 503901207 /nfs/dbraw/zinc/90/12/07/503901207.db2.gz FCVHZRUOCVMPQE-UHFFFAOYSA-N -1 3 353.466 3.043 20 0 FGADHM Cc1[n-][nH]c(=NC(=O)[C@@H]2CCCc3cccnc32)c1-c1ccc(F)cc1 ZINC000530275861 503905129 /nfs/dbraw/zinc/90/51/29/503905129.db2.gz CYFMGTSYTVVSHX-MRXNPFEDSA-N -1 3 350.397 3.400 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1)[C@@H]1CCOC1 ZINC000546903181 503922164 /nfs/dbraw/zinc/92/21/64/503922164.db2.gz BQHMDIPQSBNBOJ-ZYHUDNBSSA-N -1 3 372.899 3.167 20 0 FGADHM Cc1ocnc1C[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000530328219 503926970 /nfs/dbraw/zinc/92/69/70/503926970.db2.gz PCPMWAUXJPKVEN-UHFFFAOYSA-N -1 3 370.858 3.294 20 0 FGADHM CCc1ccc([C@H](CO)NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)cc1 ZINC000540900813 503930287 /nfs/dbraw/zinc/93/02/87/503930287.db2.gz PDKWJSGGVYTVLB-SFHVURJKSA-N -1 3 368.408 3.001 20 0 FGADHM O=C(Cc1ccc(Br)cc1[O-])NCCc1ccc(F)c(F)c1 ZINC000530351593 503933580 /nfs/dbraw/zinc/93/35/80/503933580.db2.gz OGTHRALHZHMGDA-UHFFFAOYSA-N -1 3 370.193 3.334 20 0 FGADHM CS(=O)(=O)[N-]c1cc(NC(=O)CC2(c3ccccc3)CC2)ccc1F ZINC000527789132 503944103 /nfs/dbraw/zinc/94/41/03/503944103.db2.gz XRQTZNZYVZWTKQ-UHFFFAOYSA-N -1 3 362.426 3.258 20 0 FGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(NC(=O)[C@@H]2CCCCS2)ccc1F ZINC000544005372 503969154 /nfs/dbraw/zinc/96/91/54/503969154.db2.gz FINPQSPQRRRYOZ-ZDUSSCGKSA-N -1 3 374.503 3.127 20 0 FGADHM Cc1cccc(S(=O)(=O)[N-]C[C@H](c2cccs2)N2CCCC2)c1F ZINC000541015954 503975224 /nfs/dbraw/zinc/97/52/24/503975224.db2.gz UGDISXCCLSCPJT-CQSZACIVSA-N -1 3 368.499 3.311 20 0 FGADHM Cc1cccc(S(=O)(=O)[N-]CCCCOCCc2ccccc2)c1F ZINC000541015213 503975356 /nfs/dbraw/zinc/97/53/56/503975356.db2.gz AFKXIFKZUYPMEW-UHFFFAOYSA-N -1 3 365.470 3.452 20 0 FGADHM Cc1cccc(-c2nc(-c3cccc(OCC(=O)NC4CC4)c3)no2)c1[O-] ZINC000547100054 503983279 /nfs/dbraw/zinc/98/32/79/503983279.db2.gz GOFOVKAKSPFXFJ-UHFFFAOYSA-N -1 3 365.389 3.075 20 0 FGADHM CCc1ccc([O-])c(C(=O)N2CCN(Cc3ccc(Cl)cc3)C(=O)C2)c1 ZINC000537656093 503993651 /nfs/dbraw/zinc/99/36/51/503993651.db2.gz ATLLWXJBYIXRCC-UHFFFAOYSA-N -1 3 372.852 3.093 20 0 FGADHM Cc1nc(-c2ccc(NC(=O)N[C@@]3(C)CCO[C@H]3C3CC3)cc2)cc(=O)[n-]1 ZINC000544077883 503998587 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Cc1cc(N(C)C)ccc1-c1noc(-c2ccc([N-]S(C)(=O)=O)cc2)n1 ZINC000545725351 504575398 /nfs/dbraw/zinc/57/53/98/504575398.db2.gz MXGXIHURSWBVSF-UHFFFAOYSA-N -1 3 372.450 3.150 20 0 FGADHM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]CC(C)(C)C(F)(F)F ZINC000548866051 504597426 /nfs/dbraw/zinc/59/74/26/504597426.db2.gz LYVSQTBBRYOGRY-UHFFFAOYSA-N -1 3 355.426 3.023 20 0 FGADHM O=C([N-]c1cc(F)c(N2CCOCC2)cc1F)c1c(F)ccc(F)c1F ZINC000520860038 504598702 /nfs/dbraw/zinc/59/87/02/504598702.db2.gz NULVZEDOXZRONC-UHFFFAOYSA-N -1 3 372.293 3.471 20 0 FGADHM C[C@@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)c1cc(F)cc2[n-]nnc21 ZINC000548870544 504598995 /nfs/dbraw/zinc/59/89/95/504598995.db2.gz SYFCGCQBTFYPFC-HWPZZCPQSA-N -1 3 374.803 3.353 20 0 FGADHM C[C@@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)c1cc(F)cc2nn[n-]c21 ZINC000548870544 504598999 /nfs/dbraw/zinc/59/89/99/504598999.db2.gz SYFCGCQBTFYPFC-HWPZZCPQSA-N -1 3 374.803 3.353 20 0 FGADHM C[C@@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)c1cc(F)cc2n[n-]nc21 ZINC000548870544 504599002 /nfs/dbraw/zinc/59/90/02/504599002.db2.gz SYFCGCQBTFYPFC-HWPZZCPQSA-N -1 3 374.803 3.353 20 0 FGADHM O=C(N[C@@H](CO)CC1CCCC1)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000548911884 504615686 /nfs/dbraw/zinc/61/56/86/504615686.db2.gz AUIYYPDNXCJKTJ-LLVKDONJSA-N -1 3 353.875 3.463 20 0 FGADHM CN1C(=O)COc2ccc(C(=O)Nc3ccc(C(C)(C)C)cc3[O-])cc21 ZINC000529279395 504617163 /nfs/dbraw/zinc/61/71/63/504617163.db2.gz YMPSAAPIYUWEJA-UHFFFAOYSA-N -1 3 354.406 3.297 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)c1 ZINC000539588443 504617766 /nfs/dbraw/zinc/61/77/66/504617766.db2.gz OVAKYOMNHBSQAV-HNNXBMFYSA-N -1 3 373.840 3.013 20 0 FGADHM C[C@@H](COc1ccccc1C(F)(F)F)NC(=O)c1cccc2nn[n-]c21 ZINC000542821141 504624456 /nfs/dbraw/zinc/62/44/56/504624456.db2.gz YSMPJEIRSGFKFV-JTQLQIEISA-N -1 3 364.327 3.174 20 0 FGADHM C[C@@H](COc1ccccc1C(F)(F)F)NC(=O)c1cccc2[n-]nnc21 ZINC000542821141 504624462 /nfs/dbraw/zinc/62/44/62/504624462.db2.gz YSMPJEIRSGFKFV-JTQLQIEISA-N -1 3 364.327 3.174 20 0 FGADHM C[C@@H](COc1ccccc1C(F)(F)F)NC(=O)c1cccc2n[n-]nc21 ZINC000542821141 504624463 /nfs/dbraw/zinc/62/44/63/504624463.db2.gz YSMPJEIRSGFKFV-JTQLQIEISA-N -1 3 364.327 3.174 20 0 FGADHM O=S(=O)([N-][C@@H]1CCC[C@H]2OCC[C@H]21)c1csc(-c2ccccc2)n1 ZINC000532366960 504624651 /nfs/dbraw/zinc/62/46/51/504624651.db2.gz BTUVNRIHXBNVQQ-RRFJBIMHSA-N -1 3 364.492 3.046 20 0 FGADHM COc1cc2c(cc1F)CC[C@@H]2NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000548935764 504628511 /nfs/dbraw/zinc/62/85/11/504628511.db2.gz WXXDNFHMRANSCZ-INIZCTEOSA-N -1 3 352.365 3.093 20 0 FGADHM COc1ccccc1OC[C@H](C)C[N-]S(=O)(=O)c1cccc(C)c1F ZINC000542847160 504633876 /nfs/dbraw/zinc/63/38/76/504633876.db2.gz BHSPPDXTYQNXBU-CYBMUJFWSA-N -1 3 367.442 3.136 20 0 FGADHM Cc1nc(-c2ccc(NC(=O)N3CCOC(C)(C)[C@H]3C)cc2)cc(=O)[n-]1 ZINC000532422989 504645472 /nfs/dbraw/zinc/64/54/72/504645472.db2.gz HJMAIBNCYSVSEJ-GFCCVEGCSA-N -1 3 356.426 3.189 20 0 FGADHM O=C(Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)[C@H]1CC12CCCCC2 ZINC000532423010 504645584 /nfs/dbraw/zinc/64/55/84/504645584.db2.gz OOKUQUTVCYHGRK-CQSZACIVSA-N -1 3 366.458 3.175 20 0 FGADHM Cn1cc(-c2ccc(F)c(C(=O)[N-]c3nnc(C(F)F)s3)c2)cn1 ZINC000542935621 504665120 /nfs/dbraw/zinc/66/51/20/504665120.db2.gz DGPPTZBCGQYXBO-UHFFFAOYSA-N -1 3 353.329 3.268 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1)c1c(F)cccc1F ZINC000542969129 504677816 /nfs/dbraw/zinc/67/78/16/504677816.db2.gz LDKMPTYECNPXJG-QMMMGPOBSA-N -1 3 366.311 3.418 20 0 FGADHM Cc1ccc(-c2n[nH]c(SCC(=O)Nc3ccc(F)cc3[O-])n2)cc1 ZINC000532622201 504713320 /nfs/dbraw/zinc/71/33/20/504713320.db2.gz KDANXSLLHLLSNQ-UHFFFAOYSA-N -1 3 358.398 3.356 20 0 FGADHM Cc1ccc(C(=O)Nc2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)c(Cl)c1C ZINC000543103164 504726226 /nfs/dbraw/zinc/72/62/26/504726226.db2.gz CMLFGYRXGFHZOY-LJQANCHMSA-N -1 3 371.824 3.264 20 0 FGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1Cc2ccccc2[C@@H]1C ZINC000543112331 504730403 /nfs/dbraw/zinc/73/04/03/504730403.db2.gz PQAHMDOCTOOZGX-HNNXBMFYSA-N -1 3 374.444 3.176 20 0 FGADHM COC(=O)c1ccc2c(c1)nc(-c1cnc(Oc3ccccc3)cn1)[n-]c2=O ZINC000543117087 504732383 /nfs/dbraw/zinc/73/23/83/504732383.db2.gz AVAZVVPSQXPILI-UHFFFAOYSA-N -1 3 374.356 3.371 20 0 FGADHM C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000549236617 504734348 /nfs/dbraw/zinc/73/43/48/504734348.db2.gz LIOYRWPUJLEHRI-JTQLQIEISA-N -1 3 368.359 3.100 20 0 FGADHM O=C(NCC(C1CCC1)C1CCC1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000529612871 504742008 /nfs/dbraw/zinc/74/20/08/504742008.db2.gz BLFRSXRDLLMNKJ-LJQANCHMSA-N -1 3 370.493 3.329 20 0 FGADHM Cc1ccccc1[C@H](CO)[N-]S(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000532774947 504756229 /nfs/dbraw/zinc/75/62/29/504756229.db2.gz OTUBSBDCUAFTLN-INIZCTEOSA-N -1 3 374.289 3.455 20 0 FGADHM [O-]c1cccc(CN2CCc3nc(C4CC4)ncc3C2)c1Br ZINC000529667638 504756346 /nfs/dbraw/zinc/75/63/46/504756346.db2.gz AOQLPYCLDXPQRH-UHFFFAOYSA-N -1 3 360.255 3.380 20 0 FGADHM COC(=O)c1cc(S(=O)(=O)[N-][C@H](c2ccccc2C)C2CC2)c(C)o1 ZINC000532855152 504768058 /nfs/dbraw/zinc/76/80/58/504768058.db2.gz PWRHEKNTORZKAF-KRWDZBQOSA-N -1 3 363.435 3.113 20 0 FGADHM COC(=O)c1cc(S(=O)(=O)[N-]C2(c3ccccc3)CCCC2)c(C)o1 ZINC000532855162 504768116 /nfs/dbraw/zinc/76/81/16/504768116.db2.gz QHWZJYKPQDXZAT-UHFFFAOYSA-N -1 3 363.435 3.122 20 0 FGADHM O=C(N=c1cc2ccccn2[n-]1)NCC1(c2ccc(F)cc2Cl)CC1 ZINC000562296234 504776242 /nfs/dbraw/zinc/77/62/42/504776242.db2.gz IVWJJOAWWFKAMY-UHFFFAOYSA-N -1 3 358.804 3.402 20 0 FGADHM Cc1c(C(=O)[O-])sc2ncnc(NC[C@@H](c3cccs3)N(C)C)c12 ZINC000565038968 504778177 /nfs/dbraw/zinc/77/81/77/504778177.db2.gz XQCDBWUKAQIPQF-JTQLQIEISA-N -1 3 362.480 3.474 20 0 FGADHM FC(F)(F)c1nsc(=NC2CCN(CCc3ccccc3)CC2)[n-]1 ZINC000552937796 504791032 /nfs/dbraw/zinc/79/10/32/504791032.db2.gz PEIPDYRIRREZHU-UHFFFAOYSA-N -1 3 356.417 3.098 20 0 FGADHM O=C(Nc1ccccc1[O-])C1CCN(C(=O)N[C@H]2CC3CCC2CC3)CC1 ZINC000556078607 504791589 /nfs/dbraw/zinc/79/15/89/504791589.db2.gz XKJUCAKHMJJFLO-JMLCCBQJSA-N -1 3 371.481 3.331 20 0 FGADHM O=C([O-])CCN(Cc1cc(F)cc(Br)c1)C[C@H]1CCCO1 ZINC000565100917 504792938 /nfs/dbraw/zinc/79/29/38/504792938.db2.gz KGNSAOGTYVDFAY-CQSZACIVSA-N -1 3 360.223 3.044 20 0 FGADHM CC(C)(CNC(=O)Cc1cncc([O-])c1)c1ccc(Br)cc1 ZINC000552998234 504801496 /nfs/dbraw/zinc/80/14/96/504801496.db2.gz XZTIKNRZHVCPDL-UHFFFAOYSA-N -1 3 363.255 3.186 20 0 FGADHM COC[C@H]([N-]S(=O)(=O)Cc1ccc(C(F)F)cc1)c1ccc(C)o1 ZINC000549380634 504805492 /nfs/dbraw/zinc/80/54/92/504805492.db2.gz ZISMTCNOTLJOQE-AWEZNQCLSA-N -1 3 359.394 3.333 20 0 FGADHM CCc1ccc([C@@H]2COCCN2C(=O)c2c[n-]c3ccc(C)cc3c2=O)o1 ZINC000553029357 504808530 /nfs/dbraw/zinc/80/85/30/504808530.db2.gz SHDVYKOLQKVBCE-SFHVURJKSA-N -1 3 366.417 3.206 20 0 FGADHM CN(C)[C@@H]1CCOc2c([N-]S(=O)(=O)CCc3ccccc3)cccc21 ZINC000562404873 504809179 /nfs/dbraw/zinc/80/91/79/504809179.db2.gz XPSMHJZLLNYEFW-GOSISDBHSA-N -1 3 360.479 3.056 20 0 FGADHM C[C@H](NC(=O)c1cc(=O)[n-]c(C2CC2)n1)c1nc(-c2ccncc2)cs1 ZINC000565183061 504820279 /nfs/dbraw/zinc/82/02/79/504820279.db2.gz VSEBRBXDAIIBQA-JTQLQIEISA-N -1 3 367.434 3.069 20 0 FGADHM O=C(Nc1cccc(-n2cc(C(F)(F)F)cn2)c1)c1cccc2nn[n-]c21 ZINC000562449620 504824453 /nfs/dbraw/zinc/82/44/53/504824453.db2.gz QOMDPGSZCJQZIZ-UHFFFAOYSA-N -1 3 372.310 3.415 20 0 FGADHM O=C(Nc1cccc(-n2cc(C(F)(F)F)cn2)c1)c1cccc2[n-]nnc21 ZINC000562449620 504824455 /nfs/dbraw/zinc/82/44/55/504824455.db2.gz QOMDPGSZCJQZIZ-UHFFFAOYSA-N -1 3 372.310 3.415 20 0 FGADHM O=C(Nc1cccc(-n2cc(C(F)(F)F)cn2)c1)c1cccc2n[n-]nc21 ZINC000562449620 504824459 /nfs/dbraw/zinc/82/44/59/504824459.db2.gz QOMDPGSZCJQZIZ-UHFFFAOYSA-N -1 3 372.310 3.415 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N[C@@]3(CO)C[C@H](C)CC(C)(C)C3)c[n-]c12 ZINC000553125447 504833202 /nfs/dbraw/zinc/83/32/02/504833202.db2.gz LTCGDYPEWGNESN-GTJPDFRWSA-N -1 3 374.456 3.283 20 0 FGADHM CC1(C)CCC[C@@]1(O)C[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000549479685 504833574 /nfs/dbraw/zinc/83/35/74/504833574.db2.gz SMMYQYGRNDYILO-CQSZACIVSA-N -1 3 352.283 3.213 20 0 FGADHM C[C@@H](c1ccccc1)N1CC[C@H](N=c2[n-]nc(C3CCOCC3)s2)C1 ZINC000549498750 504837149 /nfs/dbraw/zinc/83/71/49/504837149.db2.gz HRQWHGMMICAWOB-YOEHRIQHSA-N -1 3 358.511 3.101 20 0 FGADHM CCCOc1c(Cl)cc(CN[C@]2(C(=O)[O-])CCSC2)cc1OC ZINC000556320709 504844048 /nfs/dbraw/zinc/84/40/48/504844048.db2.gz ASAAXRCJOLZQTA-MRXNPFEDSA-N -1 3 359.875 3.187 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F)c1cccc(C2CC2)c1 ZINC000556325913 504845202 /nfs/dbraw/zinc/84/52/02/504845202.db2.gz MVEMMMYEBMUFKG-SNVBAGLBSA-N -1 3 373.400 3.356 20 0 FGADHM CC(C)(F)c1nc(-c2nnc(-c3cccc(Br)c3)[n-]2)no1 ZINC000556329914 504846454 /nfs/dbraw/zinc/84/64/54/504846454.db2.gz GAYAMUIUONCUKN-UHFFFAOYSA-N -1 3 352.167 3.489 20 0 FGADHM CC(C)(F)c1nc(-c2nc(-c3cccc(Br)c3)n[n-]2)no1 ZINC000556329914 504846455 /nfs/dbraw/zinc/84/64/55/504846455.db2.gz GAYAMUIUONCUKN-UHFFFAOYSA-N -1 3 352.167 3.489 20 0 FGADHM CC(C)(F)c1nc(-c2n[n-]c(-c3cccc(Br)c3)n2)no1 ZINC000556329914 504846457 /nfs/dbraw/zinc/84/64/57/504846457.db2.gz GAYAMUIUONCUKN-UHFFFAOYSA-N -1 3 352.167 3.489 20 0 FGADHM Cn1c([N-]S(=O)(=O)Cc2ccc(Cl)cc2Cl)nc2cccnc21 ZINC000562577859 504866181 /nfs/dbraw/zinc/86/61/81/504866181.db2.gz OAUGGLVXVFVAIK-UHFFFAOYSA-N -1 3 371.249 3.217 20 0 FGADHM C[C@]1(c2cccc(-c3noc(C4(C5CCC5)CCC4)n3)c2)NC(=O)[N-]C1=O ZINC000556419573 504869249 /nfs/dbraw/zinc/86/92/49/504869249.db2.gz GKUTZADOTXYQKH-LJQANCHMSA-N -1 3 366.421 3.013 20 0 FGADHM COc1ccccc1-c1cccc(NC(=O)c2cc(=O)[n-]c(N(C)C)n2)c1 ZINC000549715187 504879166 /nfs/dbraw/zinc/87/91/66/504879166.db2.gz BXWPEGOMRWJMAX-UHFFFAOYSA-N -1 3 364.405 3.176 20 0 FGADHM Cc1cc(CCC(=O)N=c2cc3ccccn3[n-]2)ccc1Br ZINC000553320769 504882183 /nfs/dbraw/zinc/88/21/83/504882183.db2.gz QKACSQLONKNJNB-UHFFFAOYSA-N -1 3 358.239 3.398 20 0 FGADHM CCCOc1c(Cl)cc(C(=O)N=c2cc3ccccn3[n-]2)cc1OC ZINC000553320349 504882287 /nfs/dbraw/zinc/88/22/87/504882287.db2.gz BHPJSQJIRSXBQF-UHFFFAOYSA-N -1 3 359.813 3.459 20 0 FGADHM Cc1ccc2[n-]cc(C(=O)N3CCC(C(=O)OC(C)(C)C)CC3)c(=O)c2c1 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SEEPDRBBQXQKDM-NVXWUHKLSA-N -1 3 369.469 3.002 20 0 FGADHM C[C@](O)(Cc1ccccc1)C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000513737336 561948340 /nfs/dbraw/zinc/94/83/40/561948340.db2.gz AMFCVWTZASJJTP-KRWDZBQOSA-N -1 3 374.238 3.029 20 0 FGADHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)c1cccc(OC[C@@H]2CCCO2)c1 ZINC000525967168 562261596 /nfs/dbraw/zinc/26/15/96/562261596.db2.gz UDGPTGYRNQRVCZ-DOTOQJQBSA-N -1 3 357.410 3.071 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H](SC)c1ccccc1 ZINC000736633964 598830479 /nfs/dbraw/zinc/83/04/79/598830479.db2.gz FXBOARFNWQPRDL-INIZCTEOSA-N -1 3 369.450 3.308 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H](SC)c1ccccc1 ZINC000736633964 598830480 /nfs/dbraw/zinc/83/04/80/598830480.db2.gz FXBOARFNWQPRDL-INIZCTEOSA-N -1 3 369.450 3.308 20 0 FGADHM O=C(C[C@@H]1CCOC1)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000737819590 598832013 /nfs/dbraw/zinc/83/20/13/598832013.db2.gz HYLQLTYYCUELPQ-ZDUSSCGKSA-N -1 3 365.393 3.024 20 0 FGADHM O=C(C[C@@H]1CCOC1)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000737819590 598832014 /nfs/dbraw/zinc/83/20/14/598832014.db2.gz HYLQLTYYCUELPQ-ZDUSSCGKSA-N -1 3 365.393 3.024 20 0 FGADHM O=C(C[C@@H]1CCOC1)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737818822 598832996 /nfs/dbraw/zinc/83/29/96/598832996.db2.gz DZGPIMRWGXUVBW-ZDUSSCGKSA-N -1 3 365.393 3.024 20 0 FGADHM O=C(C[C@@H]1CCOC1)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737818822 598832999 /nfs/dbraw/zinc/83/29/99/598832999.db2.gz DZGPIMRWGXUVBW-ZDUSSCGKSA-N -1 3 365.393 3.024 20 0 FGADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCCCC(C)(C)C ZINC000735736597 598847907 /nfs/dbraw/zinc/84/79/07/598847907.db2.gz UKUJSBHMZIGYDM-MRXNPFEDSA-N -1 3 359.474 3.213 20 0 FGADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCCCC(C)(C)C ZINC000735736597 598847909 /nfs/dbraw/zinc/84/79/09/598847909.db2.gz UKUJSBHMZIGYDM-MRXNPFEDSA-N -1 3 359.474 3.213 20 0 FGADHM CCOc1cc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2F)ccc1C ZINC000736627330 598848976 /nfs/dbraw/zinc/84/89/76/598848976.db2.gz YXAKUIAVJQTBTI-UHFFFAOYSA-N -1 3 356.357 3.070 20 0 FGADHM CCOc1cc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2F)ccc1C ZINC000736627330 598848977 /nfs/dbraw/zinc/84/89/77/598848977.db2.gz YXAKUIAVJQTBTI-UHFFFAOYSA-N -1 3 356.357 3.070 20 0 FGADHM O=C(Nc1nc(-c2cccc(F)c2)cs1)c1cccc(-c2nnn[n-]2)c1 ZINC000738208790 598849505 /nfs/dbraw/zinc/84/95/05/598849505.db2.gz HFQCBCKYMZHFBT-UHFFFAOYSA-N -1 3 366.381 3.382 20 0 FGADHM O=C(Nc1nc(-c2cccc(F)c2)cs1)c1cccc(-c2nn[n-]n2)c1 ZINC000738208790 598849506 /nfs/dbraw/zinc/84/95/06/598849506.db2.gz HFQCBCKYMZHFBT-UHFFFAOYSA-N -1 3 366.381 3.382 20 0 FGADHM COC(=O)[C@@H](N[C@H](C)c1ccccc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000736898712 598857662 /nfs/dbraw/zinc/85/76/62/598857662.db2.gz WJUWMVUZDKZSDA-BZNIZROVSA-N -1 3 371.828 3.085 20 0 FGADHM COC(=O)[C@@H](N[C@H](C)c1ccccc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000736898712 598857664 /nfs/dbraw/zinc/85/76/64/598857664.db2.gz WJUWMVUZDKZSDA-BZNIZROVSA-N -1 3 371.828 3.085 20 0 FGADHM c1ccc2c(c1)CCC[C@@H]2OCCCNc1ncccc1-c1nnn[n-]1 ZINC000738441435 598870298 /nfs/dbraw/zinc/87/02/98/598870298.db2.gz JSEDZISAGIURSL-KRWDZBQOSA-N -1 3 350.426 3.158 20 0 FGADHM c1ccc2c(c1)CCC[C@@H]2OCCCNc1ncccc1-c1nn[n-]n1 ZINC000738441435 598870300 /nfs/dbraw/zinc/87/03/00/598870300.db2.gz JSEDZISAGIURSL-KRWDZBQOSA-N -1 3 350.426 3.158 20 0 FGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N(CCc1cccc(F)c1)C1CC1 ZINC000738178941 598877677 /nfs/dbraw/zinc/87/76/77/598877677.db2.gz NWYWMSDPXNDINJ-UHFFFAOYSA-N -1 3 366.400 3.245 20 0 FGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N(CCc1cccc(F)c1)C1CC1 ZINC000738178941 598877679 /nfs/dbraw/zinc/87/76/79/598877679.db2.gz NWYWMSDPXNDINJ-UHFFFAOYSA-N -1 3 366.400 3.245 20 0 FGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H](C)C1CCCC1 ZINC000736113325 598879312 /nfs/dbraw/zinc/87/93/12/598879312.db2.gz YEYJADVWVNCKOX-CQSZACIVSA-N -1 3 356.474 3.365 20 0 FGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H](C)C1CCCC1 ZINC000736113325 598879314 /nfs/dbraw/zinc/87/93/14/598879314.db2.gz YEYJADVWVNCKOX-CQSZACIVSA-N -1 3 356.474 3.365 20 0 FGADHM O=C(NCC1(c2cccc(Cl)c2)CC1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000738040886 598889129 /nfs/dbraw/zinc/88/91/29/598889129.db2.gz UIFXZXBTQCDMBO-UHFFFAOYSA-N -1 3 368.828 3.373 20 0 FGADHM O=C(NCC1(c2cccc(Cl)c2)CC1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000738040886 598889131 /nfs/dbraw/zinc/88/91/31/598889131.db2.gz UIFXZXBTQCDMBO-UHFFFAOYSA-N -1 3 368.828 3.373 20 0 FGADHM C[C@H](CC(=O)O[C@@H](C)COc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000736038682 598889260 /nfs/dbraw/zinc/88/92/60/598889260.db2.gz WOKGPSVAVNJGKM-CABCVRRESA-N -1 3 366.421 3.371 20 0 FGADHM C[C@H](CC(=O)O[C@@H](C)COc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000736038682 598889262 /nfs/dbraw/zinc/88/92/62/598889262.db2.gz WOKGPSVAVNJGKM-CABCVRRESA-N -1 3 366.421 3.371 20 0 FGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N1CCc2c(Cl)cccc2C1 ZINC000738179331 598889759 /nfs/dbraw/zinc/88/97/59/598889759.db2.gz QVZUKYGDTZPZME-UHFFFAOYSA-N -1 3 354.801 3.110 20 0 FGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N1CCc2c(Cl)cccc2C1 ZINC000738179331 598889761 /nfs/dbraw/zinc/88/97/61/598889761.db2.gz QVZUKYGDTZPZME-UHFFFAOYSA-N -1 3 354.801 3.110 20 0 FGADHM Cc1ccc(C(=O)O[C@@H](C)COc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000737315131 598890419 /nfs/dbraw/zinc/89/04/19/598890419.db2.gz JYTJSHXZJVQYHQ-AWEZNQCLSA-N -1 3 352.394 3.108 20 0 FGADHM Cc1ccc(C(=O)O[C@@H](C)COc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000737315131 598890421 /nfs/dbraw/zinc/89/04/21/598890421.db2.gz JYTJSHXZJVQYHQ-AWEZNQCLSA-N -1 3 352.394 3.108 20 0 FGADHM Cc1cc(CC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCCC3)no1 ZINC000737263216 598905440 /nfs/dbraw/zinc/90/54/40/598905440.db2.gz QHWRGAHIZVOMSE-UHFFFAOYSA-N -1 3 372.454 3.065 20 0 FGADHM Cc1cc(CC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCCC3)no1 ZINC000737263216 598905441 /nfs/dbraw/zinc/90/54/41/598905441.db2.gz QHWRGAHIZVOMSE-UHFFFAOYSA-N -1 3 372.454 3.065 20 0 FGADHM Cc1nc(SCC(=O)N2CCCCC[C@H]2C)c(-c2nnn[n-]2)c(C)c1C ZINC000737481856 598907942 /nfs/dbraw/zinc/90/79/42/598907942.db2.gz BVXPPMGJOZLDGI-LLVKDONJSA-N -1 3 374.514 3.070 20 0 FGADHM Cc1nc(SCC(=O)N2CCCCC[C@H]2C)c(-c2nn[n-]n2)c(C)c1C ZINC000737481856 598907944 /nfs/dbraw/zinc/90/79/44/598907944.db2.gz BVXPPMGJOZLDGI-LLVKDONJSA-N -1 3 374.514 3.070 20 0 FGADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)N1CCC[C@]2(CC=CCC2)C1 ZINC000737854359 598913792 /nfs/dbraw/zinc/91/37/92/598913792.db2.gz YMUJJVCKNLANJF-HXUWFJFHSA-N -1 3 351.454 3.148 20 0 FGADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)N1CCC[C@]2(CC=CCC2)C1 ZINC000737854359 598913793 /nfs/dbraw/zinc/91/37/93/598913793.db2.gz YMUJJVCKNLANJF-HXUWFJFHSA-N -1 3 351.454 3.148 20 0 FGADHM CCCCN(C)C(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000736454429 598925637 /nfs/dbraw/zinc/92/56/37/598925637.db2.gz YUSUIYMPSOXSGD-UHFFFAOYSA-N -1 3 365.437 3.318 20 0 FGADHM CCCCN(C)C(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000736454429 598925639 /nfs/dbraw/zinc/92/56/39/598925639.db2.gz YUSUIYMPSOXSGD-UHFFFAOYSA-N -1 3 365.437 3.318 20 0 FGADHM Cc1cc(=O)oc2cc(Oc3ncc(-c4nnn[n-]4)cc3Cl)ccc12 ZINC000737232217 598934714 /nfs/dbraw/zinc/93/47/14/598934714.db2.gz ZHUFLMPKEFNJSD-UHFFFAOYSA-N -1 3 355.741 3.122 20 0 FGADHM Cc1cc(=O)oc2cc(Oc3ncc(-c4nn[n-]n4)cc3Cl)ccc12 ZINC000737232217 598934716 /nfs/dbraw/zinc/93/47/16/598934716.db2.gz ZHUFLMPKEFNJSD-UHFFFAOYSA-N -1 3 355.741 3.122 20 0 FGADHM CC(C)C[C@@H]1CCCCCN1C(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000735794939 598943623 /nfs/dbraw/zinc/94/36/23/598943623.db2.gz IRAIVEWEERRVAX-WBVHZDCISA-N -1 3 371.485 3.451 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)Oc1ccc(C(C)C)c(C)c1 ZINC000737279318 598946874 /nfs/dbraw/zinc/94/68/74/598946874.db2.gz JMKLAXCZMSREPW-UHFFFAOYSA-N -1 3 372.450 3.375 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)Oc1ccc(C(C)C)c(C)c1 ZINC000737279318 598946875 /nfs/dbraw/zinc/94/68/75/598946875.db2.gz JMKLAXCZMSREPW-UHFFFAOYSA-N -1 3 372.450 3.375 20 0 FGADHM CCOC(=O)[C@@H](C)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000736586972 598960626 /nfs/dbraw/zinc/96/06/26/598960626.db2.gz SFBGSTDQAQGTLV-GFCCVEGCSA-N -1 3 353.382 3.023 20 0 FGADHM CCOC(=O)[C@@H](C)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000736586972 598960628 /nfs/dbraw/zinc/96/06/28/598960628.db2.gz SFBGSTDQAQGTLV-GFCCVEGCSA-N -1 3 353.382 3.023 20 0 FGADHM C[C@@H](NC(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1nc2ccccc2s1 ZINC000736116265 598962599 /nfs/dbraw/zinc/96/25/99/598962599.db2.gz MEEGXLFMIPATPL-SNVBAGLBSA-N -1 3 365.422 3.359 20 0 FGADHM C[C@@H](NC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1nc2ccccc2s1 ZINC000736116265 598962600 /nfs/dbraw/zinc/96/26/00/598962600.db2.gz MEEGXLFMIPATPL-SNVBAGLBSA-N -1 3 365.422 3.359 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@@H](C(C)C)CC1 ZINC000737064801 598967108 /nfs/dbraw/zinc/96/71/08/598967108.db2.gz ZPKHDQPXZSQJCN-CYBMUJFWSA-N -1 3 358.446 3.165 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@@H](C(C)C)CC1 ZINC000737064801 598967109 /nfs/dbraw/zinc/96/71/09/598967109.db2.gz ZPKHDQPXZSQJCN-CYBMUJFWSA-N -1 3 358.446 3.165 20 0 FGADHM O[C@H](CNc1ccc(Cl)cc1-c1nnn[n-]1)c1ccccc1Cl ZINC000738383123 598974589 /nfs/dbraw/zinc/97/45/89/598974589.db2.gz OQUAPONVDRBKJB-CQSZACIVSA-N -1 3 350.209 3.319 20 0 FGADHM O[C@H](CNc1ccc(Cl)cc1-c1nn[n-]n1)c1ccccc1Cl ZINC000738383123 598974590 /nfs/dbraw/zinc/97/45/90/598974590.db2.gz OQUAPONVDRBKJB-CQSZACIVSA-N -1 3 350.209 3.319 20 0 FGADHM Cc1ccc([C@H](C)NC(=O)CNc2cccc(-c3nnn[n-]3)c2C)cc1C ZINC000822229332 607256154 /nfs/dbraw/zinc/25/61/54/607256154.db2.gz RWMSBCDIOWHCCG-HNNXBMFYSA-N -1 3 364.453 3.081 20 0 FGADHM Cc1ccc([C@H](C)NC(=O)CNc2cccc(-c3nn[n-]n3)c2C)cc1C ZINC000822229332 607256155 /nfs/dbraw/zinc/25/61/55/607256155.db2.gz RWMSBCDIOWHCCG-HNNXBMFYSA-N -1 3 364.453 3.081 20 0 FGADHM CCN(C(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1)C(C)C ZINC000736507582 598995103 /nfs/dbraw/zinc/99/51/03/598995103.db2.gz GFTACBKDZWPUJD-UHFFFAOYSA-N -1 3 365.437 3.316 20 0 FGADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)C[C@@H]2OCCc3ccccc32)s1 ZINC000736678681 598996296 /nfs/dbraw/zinc/99/62/96/598996296.db2.gz DTXAVRBVAUOBPY-HNNXBMFYSA-N -1 3 369.450 3.133 20 0 FGADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)C[C@@H]2OCCc3ccccc32)s1 ZINC000736678681 598996299 /nfs/dbraw/zinc/99/62/99/598996299.db2.gz DTXAVRBVAUOBPY-HNNXBMFYSA-N -1 3 369.450 3.133 20 0 FGADHM Brc1ccccc1NCCOc1cccc(-c2nnn[n-]2)c1 ZINC000735375745 599324802 /nfs/dbraw/zinc/32/48/02/599324802.db2.gz QTPSSBAHIIDMJF-UHFFFAOYSA-N -1 3 360.215 3.120 20 0 FGADHM Brc1ccccc1NCCOc1cccc(-c2nn[n-]n2)c1 ZINC000735375745 599324805 /nfs/dbraw/zinc/32/48/05/599324805.db2.gz QTPSSBAHIIDMJF-UHFFFAOYSA-N -1 3 360.215 3.120 20 0 FGADHM C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000736230911 599008623 /nfs/dbraw/zinc/00/86/23/599008623.db2.gz AIJXSBSGZMIECD-DNVCBOLYSA-N -1 3 361.449 3.204 20 0 FGADHM C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000736230911 599008625 /nfs/dbraw/zinc/00/86/25/599008625.db2.gz AIJXSBSGZMIECD-DNVCBOLYSA-N -1 3 361.449 3.204 20 0 FGADHM CC[C@H](NC(=S)N(C)c1cccc(-c2nnn[n-]2)c1)c1cccs1 ZINC000736372040 599014087 /nfs/dbraw/zinc/01/40/87/599014087.db2.gz UYDSAWJLRIRSSA-ZDUSSCGKSA-N -1 3 358.496 3.390 20 0 FGADHM CC[C@H](NC(=S)N(C)c1cccc(-c2nn[n-]n2)c1)c1cccs1 ZINC000736372040 599014089 /nfs/dbraw/zinc/01/40/89/599014089.db2.gz UYDSAWJLRIRSSA-ZDUSSCGKSA-N -1 3 358.496 3.390 20 0 FGADHM CC(C)(C)Oc1ccccc1NC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000735639685 599017896 /nfs/dbraw/zinc/01/78/96/599017896.db2.gz NCOFAVQVMWGZKN-UHFFFAOYSA-N -1 3 367.409 3.062 20 0 FGADHM CC(C)(C)Oc1ccccc1NC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000735639685 599017898 /nfs/dbraw/zinc/01/78/98/599017898.db2.gz NCOFAVQVMWGZKN-UHFFFAOYSA-N -1 3 367.409 3.062 20 0 FGADHM Cc1c(NCC(=O)Nc2ccc3ccccc3c2)cccc1-c1nnn[n-]1 ZINC000822123239 607257049 /nfs/dbraw/zinc/25/70/49/607257049.db2.gz XCYHKIVQWXSEAY-UHFFFAOYSA-N -1 3 358.405 3.379 20 0 FGADHM Cc1c(NCC(=O)Nc2ccc3ccccc3c2)cccc1-c1nn[n-]n1 ZINC000822123239 607257050 /nfs/dbraw/zinc/25/70/50/607257050.db2.gz XCYHKIVQWXSEAY-UHFFFAOYSA-N -1 3 358.405 3.379 20 0 FGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)C[C@H](C)c1cccnc1 ZINC000735903996 599024858 /nfs/dbraw/zinc/02/48/58/599024858.db2.gz JWIAHCYCETZQCQ-ZDUSSCGKSA-N -1 3 366.425 3.181 20 0 FGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)Nc1cc(F)c(F)c(F)c1 ZINC000737941190 599038355 /nfs/dbraw/zinc/03/83/55/599038355.db2.gz JEEKKYVMVDMDHN-UHFFFAOYSA-N -1 3 365.340 3.015 20 0 FGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)Nc1cc(F)c(F)c(F)c1 ZINC000737941190 599038356 /nfs/dbraw/zinc/03/83/56/599038356.db2.gz JEEKKYVMVDMDHN-UHFFFAOYSA-N -1 3 365.340 3.015 20 0 FGADHM CN(Cc1cccc(F)c1)c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000736827380 599039494 /nfs/dbraw/zinc/03/94/94/599039494.db2.gz CESODESDIAJRPG-UHFFFAOYSA-N -1 3 352.295 3.056 20 0 FGADHM CN(Cc1cccc(F)c1)c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000736827380 599039498 /nfs/dbraw/zinc/03/94/98/599039498.db2.gz CESODESDIAJRPG-UHFFFAOYSA-N -1 3 352.295 3.056 20 0 FGADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(NCC2(c3ccccc3)CC2)n1 ZINC000737633712 599041900 /nfs/dbraw/zinc/04/19/00/599041900.db2.gz VDMDIWKQHSJCHG-UHFFFAOYSA-N -1 3 360.343 3.424 20 0 FGADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(NCC2(c3ccccc3)CC2)n1 ZINC000737633712 599041902 /nfs/dbraw/zinc/04/19/02/599041902.db2.gz VDMDIWKQHSJCHG-UHFFFAOYSA-N -1 3 360.343 3.424 20 0 FGADHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1N1CCOC2(CCCCC2)C1 ZINC000822718257 599055289 /nfs/dbraw/zinc/05/52/89/599055289.db2.gz FLAMADQWENJCAC-UHFFFAOYSA-N -1 3 367.375 3.425 20 0 FGADHM Cc1ccc(N2CCC[C@H](Nc3ccc(F)cc3-c3nnn[n-]3)C2)cc1 ZINC000822242160 599065216 /nfs/dbraw/zinc/06/52/16/599065216.db2.gz CFPALQQDOJUWOH-HNNXBMFYSA-N -1 3 352.417 3.395 20 0 FGADHM Cc1ccc(N2CCC[C@H](Nc3ccc(F)cc3-c3nn[n-]n3)C2)cc1 ZINC000822242160 599065219 /nfs/dbraw/zinc/06/52/19/599065219.db2.gz CFPALQQDOJUWOH-HNNXBMFYSA-N -1 3 352.417 3.395 20 0 FGADHM Cc1ccccc1NC(=O)[C@H](C)Sc1ccc(-c2nnn[n-]2)cc1F ZINC000737437622 599065973 /nfs/dbraw/zinc/06/59/73/599065973.db2.gz XXNHVVAAJWJQIJ-NSHDSACASA-N -1 3 357.414 3.434 20 0 FGADHM Cc1ccccc1NC(=O)[C@H](C)Sc1ccc(-c2nn[n-]n2)cc1F ZINC000737437622 599065976 /nfs/dbraw/zinc/06/59/76/599065976.db2.gz XXNHVVAAJWJQIJ-NSHDSACASA-N -1 3 357.414 3.434 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000736633479 599072293 /nfs/dbraw/zinc/07/22/93/599072293.db2.gz BRSSZHSGWGDQSL-HUUCEWRRSA-N -1 3 355.442 3.420 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000736633479 599072296 /nfs/dbraw/zinc/07/22/96/599072296.db2.gz BRSSZHSGWGDQSL-HUUCEWRRSA-N -1 3 355.442 3.420 20 0 FGADHM CCO[C@H](C)c1nc(CN(C)c2ccc(F)cc2-c2nnn[n-]2)cs1 ZINC000821347496 599072366 /nfs/dbraw/zinc/07/23/66/599072366.db2.gz WARWESFWHSHTJA-SNVBAGLBSA-N -1 3 362.434 3.196 20 0 FGADHM CCO[C@H](C)c1nc(CN(C)c2ccc(F)cc2-c2nn[n-]n2)cs1 ZINC000821347496 599072368 /nfs/dbraw/zinc/07/23/68/599072368.db2.gz WARWESFWHSHTJA-SNVBAGLBSA-N -1 3 362.434 3.196 20 0 FGADHM CCC[C@H](CCc1ccccc1)NC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736427636 599083973 /nfs/dbraw/zinc/08/39/73/599083973.db2.gz YQUHUXIUZGPIQE-LJQANCHMSA-N -1 3 363.465 3.327 20 0 FGADHM CCC[C@H](CCc1ccccc1)NC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736427636 599083976 /nfs/dbraw/zinc/08/39/76/599083976.db2.gz YQUHUXIUZGPIQE-LJQANCHMSA-N -1 3 363.465 3.327 20 0 FGADHM CCSCc1cccc(NC(=O)Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736666129 599084176 /nfs/dbraw/zinc/08/41/76/599084176.db2.gz LNEQCOWDUGZWIK-UHFFFAOYSA-N -1 3 353.451 3.301 20 0 FGADHM CCSCc1cccc(NC(=O)Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736666129 599084179 /nfs/dbraw/zinc/08/41/79/599084179.db2.gz LNEQCOWDUGZWIK-UHFFFAOYSA-N -1 3 353.451 3.301 20 0 FGADHM CN(CCc1cccs1)c1c(-c2nnn[n-]2)cnc2c(F)ccc(F)c21 ZINC000821607607 599087539 /nfs/dbraw/zinc/08/75/39/599087539.db2.gz WLPIYFFLMWGXAN-UHFFFAOYSA-N -1 3 372.404 3.434 20 0 FGADHM CN(CCc1cccs1)c1c(-c2nn[n-]n2)cnc2c(F)ccc(F)c21 ZINC000821607607 599087542 /nfs/dbraw/zinc/08/75/42/599087542.db2.gz WLPIYFFLMWGXAN-UHFFFAOYSA-N -1 3 372.404 3.434 20 0 FGADHM C[C@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)c1cccc(-n2ccnc2)c1 ZINC000820461934 599095015 /nfs/dbraw/zinc/09/50/15/599095015.db2.gz SXUSGEZXQHBAFT-NSHDSACASA-N -1 3 366.816 3.274 20 0 FGADHM C[C@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)c1cccc(-n2ccnc2)c1 ZINC000820461934 599095018 /nfs/dbraw/zinc/09/50/18/599095018.db2.gz SXUSGEZXQHBAFT-NSHDSACASA-N -1 3 366.816 3.274 20 0 FGADHM CCSCc1cccc(NC(=O)CNc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736664793 599102896 /nfs/dbraw/zinc/10/28/96/599102896.db2.gz FEXNZPCFCRRHOL-UHFFFAOYSA-N -1 3 368.466 3.170 20 0 FGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N1CCSC[C@@H]1c1ccccc1 ZINC000738177687 599104881 /nfs/dbraw/zinc/10/48/81/599104881.db2.gz COCRBLFDOPOKDY-MRXNPFEDSA-N -1 3 366.450 3.189 20 0 FGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N1CCSC[C@@H]1c1ccccc1 ZINC000738177687 599104883 /nfs/dbraw/zinc/10/48/83/599104883.db2.gz COCRBLFDOPOKDY-MRXNPFEDSA-N -1 3 366.450 3.189 20 0 FGADHM C[C@@H]1CCC[C@@H](CCNC(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000736253761 599105677 /nfs/dbraw/zinc/10/56/77/599105677.db2.gz WCYSUJNFVPPBOP-CABCVRRESA-N -1 3 356.474 3.225 20 0 FGADHM C[C@@H]1CCC[C@@H](CCNC(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000736253761 599105678 /nfs/dbraw/zinc/10/56/78/599105678.db2.gz WCYSUJNFVPPBOP-CABCVRRESA-N -1 3 356.474 3.225 20 0 FGADHM CC(=O)c1ccc(NC(=O)[C@H](C)Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000735495963 599107324 /nfs/dbraw/zinc/10/73/24/599107324.db2.gz QWPUVICIPKEDFR-LBPRGKRZSA-N -1 3 367.434 3.189 20 0 FGADHM CC(=O)c1ccc(NC(=O)[C@H](C)Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000735495963 599107325 /nfs/dbraw/zinc/10/73/25/599107325.db2.gz QWPUVICIPKEDFR-LBPRGKRZSA-N -1 3 367.434 3.189 20 0 FGADHM O=C(CSc1ccccc1-c1nnn[n-]1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000737946136 599111622 /nfs/dbraw/zinc/11/16/22/599111622.db2.gz BFOAYXOPETYNRN-HIFRSBDPSA-N -1 3 357.483 3.140 20 0 FGADHM O=C(CSc1ccccc1-c1nn[n-]n1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000737946136 599111625 /nfs/dbraw/zinc/11/16/25/599111625.db2.gz BFOAYXOPETYNRN-HIFRSBDPSA-N -1 3 357.483 3.140 20 0 FGADHM CC[C@@](C)(NC(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1nc(C)cs1 ZINC000736316665 599116764 /nfs/dbraw/zinc/11/67/64/599116764.db2.gz YRAASJYBXSXZDL-MRXNPFEDSA-N -1 3 357.443 3.079 20 0 FGADHM CC[C@@](C)(NC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1nc(C)cs1 ZINC000736316665 599116767 /nfs/dbraw/zinc/11/67/67/599116767.db2.gz YRAASJYBXSXZDL-MRXNPFEDSA-N -1 3 357.443 3.079 20 0 FGADHM CCO[C@H]1C[C@H](Nc2cc(-c3nnn[n-]3)c3ccccc3n2)C12CCC2 ZINC000736612471 599119895 /nfs/dbraw/zinc/11/98/95/599119895.db2.gz PBTURKYKQARMQX-HOTGVXAUSA-N -1 3 350.426 3.175 20 0 FGADHM CCO[C@H]1C[C@H](Nc2cc(-c3nn[n-]n3)c3ccccc3n2)C12CCC2 ZINC000736612471 599119898 /nfs/dbraw/zinc/11/98/98/599119898.db2.gz PBTURKYKQARMQX-HOTGVXAUSA-N -1 3 350.426 3.175 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H](c1ncccc1C)C(C)C ZINC000737291085 599145823 /nfs/dbraw/zinc/14/58/23/599145823.db2.gz HQWABWARBRESLK-MRXNPFEDSA-N -1 3 365.441 3.397 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@H](c1ncccc1C)C(C)C ZINC000737291085 599145825 /nfs/dbraw/zinc/14/58/25/599145825.db2.gz HQWABWARBRESLK-MRXNPFEDSA-N -1 3 365.441 3.397 20 0 FGADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)CCC(F)(F)F ZINC000820086611 599145906 /nfs/dbraw/zinc/14/59/06/599145906.db2.gz BZFQLLHYNIBIKU-UHFFFAOYSA-N -1 3 355.364 3.194 20 0 FGADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)CCC(F)(F)F ZINC000820086611 599145908 /nfs/dbraw/zinc/14/59/08/599145908.db2.gz BZFQLLHYNIBIKU-UHFFFAOYSA-N -1 3 355.364 3.194 20 0 FGADHM C[C@H](CCc1ccccc1F)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820254867 599150964 /nfs/dbraw/zinc/15/09/64/599150964.db2.gz YSBYAXVJINLFHG-LLVKDONJSA-N -1 3 357.364 3.352 20 0 FGADHM C[C@H](CCc1ccccc1F)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820254867 599150967 /nfs/dbraw/zinc/15/09/67/599150967.db2.gz YSBYAXVJINLFHG-LLVKDONJSA-N -1 3 357.364 3.352 20 0 FGADHM Fc1ccc(SCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)cc1 ZINC000737656126 599158147 /nfs/dbraw/zinc/15/81/47/599158147.db2.gz JJBLSAKVIFUHPI-UHFFFAOYSA-N -1 3 354.370 3.348 20 0 FGADHM Fc1ccc(SCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)cc1 ZINC000737656126 599158148 /nfs/dbraw/zinc/15/81/48/599158148.db2.gz JJBLSAKVIFUHPI-UHFFFAOYSA-N -1 3 354.370 3.348 20 0 FGADHM COc1cccc(SCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)c1 ZINC000737140126 599164290 /nfs/dbraw/zinc/16/42/90/599164290.db2.gz CZVJJBIQVVQPJL-UHFFFAOYSA-N -1 3 366.406 3.218 20 0 FGADHM COc1cccc(SCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)c1 ZINC000737140126 599164292 /nfs/dbraw/zinc/16/42/92/599164292.db2.gz CZVJJBIQVVQPJL-UHFFFAOYSA-N -1 3 366.406 3.218 20 0 FGADHM C[C@@H]1C[C@@H](CC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)CC(C)(C)C1 ZINC000820659442 599165674 /nfs/dbraw/zinc/16/56/74/599165674.db2.gz XHCODQVTTVUPEC-OLZOCXBDSA-N -1 3 359.449 3.475 20 0 FGADHM C[C@@H]1C[C@@H](CC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)CC(C)(C)C1 ZINC000820659442 599165677 /nfs/dbraw/zinc/16/56/77/599165677.db2.gz XHCODQVTTVUPEC-OLZOCXBDSA-N -1 3 359.449 3.475 20 0 FGADHM CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736351310 599166888 /nfs/dbraw/zinc/16/68/88/599166888.db2.gz FIWRSNULEVAVCI-KRWDZBQOSA-N -1 3 369.856 3.200 20 0 FGADHM CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736351310 599166890 /nfs/dbraw/zinc/16/68/90/599166890.db2.gz FIWRSNULEVAVCI-KRWDZBQOSA-N -1 3 369.856 3.200 20 0 FGADHM O=C(CCSc1ccc(-c2nnn[n-]2)cc1F)Nc1cccc(F)c1 ZINC000737850308 599172036 /nfs/dbraw/zinc/17/20/36/599172036.db2.gz RACUMDBHLZOCOE-UHFFFAOYSA-N -1 3 361.377 3.266 20 0 FGADHM O=C(CCSc1ccc(-c2nn[n-]n2)cc1F)Nc1cccc(F)c1 ZINC000737850308 599172039 /nfs/dbraw/zinc/17/20/39/599172039.db2.gz RACUMDBHLZOCOE-UHFFFAOYSA-N -1 3 361.377 3.266 20 0 FGADHM Cc1nc(S[C@@H](C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)sc1C ZINC000737483923 599173730 /nfs/dbraw/zinc/17/37/30/599173730.db2.gz QKZWLTCIPGUILW-JTQLQIEISA-N -1 3 360.468 3.059 20 0 FGADHM Cc1nc(S[C@@H](C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)sc1C ZINC000737483923 599173732 /nfs/dbraw/zinc/17/37/32/599173732.db2.gz QKZWLTCIPGUILW-JTQLQIEISA-N -1 3 360.468 3.059 20 0 FGADHM C[C@H](CCc1ccccc1F)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000820252753 599178028 /nfs/dbraw/zinc/17/80/28/599178028.db2.gz DDGYNTFSZGCZQU-GFCCVEGCSA-N -1 3 371.391 3.030 20 0 FGADHM C[C@H](CCc1ccccc1F)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000820252753 599178030 /nfs/dbraw/zinc/17/80/30/599178030.db2.gz DDGYNTFSZGCZQU-GFCCVEGCSA-N -1 3 371.391 3.030 20 0 FGADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)c1cc2cc(Cl)ccc2o1 ZINC000823242152 599179801 /nfs/dbraw/zinc/17/98/01/599179801.db2.gz QLNHVXJUZUXBCQ-UHFFFAOYSA-N -1 3 371.759 3.335 20 0 FGADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)c1cc2cc(Cl)ccc2o1 ZINC000823242152 599179803 /nfs/dbraw/zinc/17/98/03/599179803.db2.gz QLNHVXJUZUXBCQ-UHFFFAOYSA-N -1 3 371.759 3.335 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@H](C)c1cccc(Cl)c1 ZINC000737024367 599180243 /nfs/dbraw/zinc/18/02/43/599180243.db2.gz HGKFDTSAOLLMDG-SNVBAGLBSA-N -1 3 358.785 3.238 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@H](C)c1cccc(Cl)c1 ZINC000737024367 599180245 /nfs/dbraw/zinc/18/02/45/599180245.db2.gz HGKFDTSAOLLMDG-SNVBAGLBSA-N -1 3 358.785 3.238 20 0 FGADHM Cc1ccc(-c2ocnc2C(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737303042 599182943 /nfs/dbraw/zinc/18/29/43/599182943.db2.gz GONFPISAPWTFIU-ZDUSSCGKSA-N -1 3 374.404 3.321 20 0 FGADHM Cc1ccc(-c2ocnc2C(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737303042 599182945 /nfs/dbraw/zinc/18/29/45/599182945.db2.gz GONFPISAPWTFIU-ZDUSSCGKSA-N -1 3 374.404 3.321 20 0 FGADHM C[C@H]1C[C@H](c2ccccc2F)N(C(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000820664524 599190010 /nfs/dbraw/zinc/19/00/10/599190010.db2.gz BESNGYJCTLQVIO-YVEFUNNKSA-N -1 3 351.385 3.229 20 0 FGADHM C[C@H]1C[C@H](c2ccccc2F)N(C(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000820664524 599190012 /nfs/dbraw/zinc/19/00/12/599190012.db2.gz BESNGYJCTLQVIO-YVEFUNNKSA-N -1 3 351.385 3.229 20 0 FGADHM O=C(OCc1cc(-c2nnn[n-]2)ccc1F)[C@H]1C[C@H]1c1c(F)cccc1F ZINC000738236893 599187637 /nfs/dbraw/zinc/18/76/37/599187637.db2.gz UJGRKRZKXJFWPS-NEPJUHHUSA-N -1 3 374.322 3.131 20 0 FGADHM O=C(OCc1cc(-c2nn[n-]n2)ccc1F)[C@H]1C[C@H]1c1c(F)cccc1F ZINC000738236893 599187639 /nfs/dbraw/zinc/18/76/39/599187639.db2.gz UJGRKRZKXJFWPS-NEPJUHHUSA-N -1 3 374.322 3.131 20 0 FGADHM CO[C@@H](C)C(=O)N(Cc1ccc(Cl)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000736957481 599210648 /nfs/dbraw/zinc/21/06/48/599210648.db2.gz HSEGQZCMOBAHNP-LBPRGKRZSA-N -1 3 371.828 3.088 20 0 FGADHM CO[C@@H](C)C(=O)N(Cc1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000736957481 599210650 /nfs/dbraw/zinc/21/06/50/599210650.db2.gz HSEGQZCMOBAHNP-LBPRGKRZSA-N -1 3 371.828 3.088 20 0 FGADHM CCC[C@@]1(C)CCCN(C(=O)CSc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000821027011 599219711 /nfs/dbraw/zinc/21/97/11/599219711.db2.gz JRMBBXMPUDZEBR-SFHVURJKSA-N -1 3 359.499 3.388 20 0 FGADHM CCC[C@@]1(C)CCCN(C(=O)CSc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821027011 599219713 /nfs/dbraw/zinc/21/97/13/599219713.db2.gz JRMBBXMPUDZEBR-SFHVURJKSA-N -1 3 359.499 3.388 20 0 FGADHM O=C(Nc1cccc(Oc2ccccn2)c1)c1sccc1-c1nnn[n-]1 ZINC000823367342 599222633 /nfs/dbraw/zinc/22/26/33/599222633.db2.gz JXPACNLWDCLMTM-UHFFFAOYSA-N -1 3 364.390 3.368 20 0 FGADHM O=C(Nc1cccc(Oc2ccccn2)c1)c1sccc1-c1nn[n-]n1 ZINC000823367342 599222635 /nfs/dbraw/zinc/22/26/35/599222635.db2.gz JXPACNLWDCLMTM-UHFFFAOYSA-N -1 3 364.390 3.368 20 0 FGADHM Cc1cc(C)cc(C[C@@H](C)NC(=O)C=Cc2ccccc2-c2nnn[n-]2)c1 ZINC000737253016 599231172 /nfs/dbraw/zinc/23/11/72/599231172.db2.gz NPEHFCRXJGBVCA-ROJDOSBLSA-N -1 3 361.449 3.244 20 0 FGADHM Cc1cc(C)cc(C[C@@H](C)NC(=O)C=Cc2ccccc2-c2nn[n-]n2)c1 ZINC000737253016 599231175 /nfs/dbraw/zinc/23/11/75/599231175.db2.gz NPEHFCRXJGBVCA-ROJDOSBLSA-N -1 3 361.449 3.244 20 0 FGADHM C[S@@](=O)Cc1ccc(Cl)c(NCc2ccccc2-c2nnn[n-]2)c1 ZINC000737171912 599233030 /nfs/dbraw/zinc/23/30/30/599233030.db2.gz GCXVDRYXDTVFGH-XMMPIXPASA-N -1 3 361.858 3.011 20 0 FGADHM C[S@@](=O)Cc1ccc(Cl)c(NCc2ccccc2-c2nn[n-]n2)c1 ZINC000737171912 599233033 /nfs/dbraw/zinc/23/30/33/599233033.db2.gz GCXVDRYXDTVFGH-XMMPIXPASA-N -1 3 361.858 3.011 20 0 FGADHM O=C(C=Cc1ccnc(Cl)c1)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000822935695 607263264 /nfs/dbraw/zinc/26/32/64/607263264.db2.gz MFIFHTIPLZQSMT-RJRFIUFISA-N -1 3 361.192 3.220 20 0 FGADHM O=C(C=Cc1ccnc(Cl)c1)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000822935695 607263265 /nfs/dbraw/zinc/26/32/65/607263265.db2.gz MFIFHTIPLZQSMT-RJRFIUFISA-N -1 3 361.192 3.220 20 0 FGADHM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)N1C2CCCC1CCC2 ZINC000737931021 599227536 /nfs/dbraw/zinc/22/75/36/599227536.db2.gz FFPLEPQCFXKLNI-UHFFFAOYSA-N -1 3 357.483 3.034 20 0 FGADHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)N1C2CCCC1CCC2 ZINC000737931021 599227537 /nfs/dbraw/zinc/22/75/37/599227537.db2.gz FFPLEPQCFXKLNI-UHFFFAOYSA-N -1 3 357.483 3.034 20 0 FGADHM COc1ccc(SCCC(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1 ZINC000821846601 607270282 /nfs/dbraw/zinc/27/02/82/607270282.db2.gz VNFJLQDGEMTPCY-UHFFFAOYSA-N -1 3 369.450 3.305 20 0 FGADHM COc1ccc(SCCC(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1 ZINC000821846601 607270283 /nfs/dbraw/zinc/27/02/83/607270283.db2.gz VNFJLQDGEMTPCY-UHFFFAOYSA-N -1 3 369.450 3.305 20 0 FGADHM Cc1c(NC(=O)C=Cc2ccc(Br)o2)cccc1-c1nnn[n-]1 ZINC000822068417 607271845 /nfs/dbraw/zinc/27/18/45/607271845.db2.gz RNPRKBGEOLLKRJ-VURMDHGXSA-N -1 3 374.198 3.183 20 0 FGADHM Cc1c(NC(=O)C=Cc2ccc(Br)o2)cccc1-c1nn[n-]n1 ZINC000822068417 607271846 /nfs/dbraw/zinc/27/18/46/607271846.db2.gz RNPRKBGEOLLKRJ-VURMDHGXSA-N -1 3 374.198 3.183 20 0 FGADHM Cc1ccc([C@@H](CNC(=O)Nc2cccc(CC(=O)[O-])c2)N(C)C)cc1 ZINC000738262461 597192740 /nfs/dbraw/zinc/19/27/40/597192740.db2.gz ZAWUYZAVNDTBRJ-GOSISDBHSA-N -1 3 355.438 3.047 20 0 FGADHM C[C@@H](NC(=O)Nc1cccc2cccnc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820379789 599248679 /nfs/dbraw/zinc/24/86/79/599248679.db2.gz HGFHFGVOTZRFQF-GFCCVEGCSA-N -1 3 359.393 3.298 20 0 FGADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cc2cc(F)ccc2o1 ZINC000736821357 599248690 /nfs/dbraw/zinc/24/86/90/599248690.db2.gz DOACUWIWJNQHPZ-UHFFFAOYSA-N -1 3 351.341 3.024 20 0 FGADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cc2cc(F)ccc2o1 ZINC000736821357 599248692 /nfs/dbraw/zinc/24/86/92/599248692.db2.gz DOACUWIWJNQHPZ-UHFFFAOYSA-N -1 3 351.341 3.024 20 0 FGADHM C[C@@H](NC(=O)Nc1cccc2cccnc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820379789 599248681 /nfs/dbraw/zinc/24/86/81/599248681.db2.gz HGFHFGVOTZRFQF-GFCCVEGCSA-N -1 3 359.393 3.298 20 0 FGADHM Cc1c(NC(=O)N[C@@H]2CCc3cc(F)ccc32)cccc1-c1nnn[n-]1 ZINC000822091028 607281693 /nfs/dbraw/zinc/28/16/93/607281693.db2.gz NAAWTBMNQOHWKP-MRXNPFEDSA-N -1 3 352.373 3.123 20 0 FGADHM Cc1c(NC(=O)N[C@@H]2CCc3cc(F)ccc32)cccc1-c1nn[n-]n1 ZINC000822091028 607281694 /nfs/dbraw/zinc/28/16/94/607281694.db2.gz NAAWTBMNQOHWKP-MRXNPFEDSA-N -1 3 352.373 3.123 20 0 FGADHM COc1ccccc1CN(C)c1c(-c2nnn[n-]2)cnc2c(C)cccc21 ZINC000737149323 599255393 /nfs/dbraw/zinc/25/53/93/599255393.db2.gz FREVODLAOYOPGE-UHFFFAOYSA-N -1 3 360.421 3.368 20 0 FGADHM COc1ccccc1CN(C)c1c(-c2nn[n-]n2)cnc2c(C)cccc21 ZINC000737149323 599255395 /nfs/dbraw/zinc/25/53/95/599255395.db2.gz FREVODLAOYOPGE-UHFFFAOYSA-N -1 3 360.421 3.368 20 0 FGADHM Cc1ccccc1C[C@@H](C)NC(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000822356790 607283519 /nfs/dbraw/zinc/28/35/19/607283519.db2.gz YWJNORMJDUPYBZ-CYBMUJFWSA-N -1 3 350.426 3.236 20 0 FGADHM Cc1ccccc1C[C@@H](C)NC(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000822356790 607283520 /nfs/dbraw/zinc/28/35/20/607283520.db2.gz YWJNORMJDUPYBZ-CYBMUJFWSA-N -1 3 350.426 3.236 20 0 FGADHM COc1c(F)cc(NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1F ZINC000821698352 599258088 /nfs/dbraw/zinc/25/80/88/599258088.db2.gz GFYZTDHJSFREDV-VIFPVBQESA-N -1 3 374.351 3.036 20 0 FGADHM COc1c(F)cc(NC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1F ZINC000821698352 599258092 /nfs/dbraw/zinc/25/80/92/599258092.db2.gz GFYZTDHJSFREDV-VIFPVBQESA-N -1 3 374.351 3.036 20 0 FGADHM C[C@H](NC(=O)N[C@@H]1CC[C@H]2CCC[C@H]2C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820357704 599261715 /nfs/dbraw/zinc/26/17/15/599261715.db2.gz IURWIEDMOVVILZ-JSQNDZKTSA-N -1 3 354.458 3.196 20 0 FGADHM C[C@H](NC(=O)N[C@@H]1CC[C@H]2CCC[C@H]2C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820357704 599261718 /nfs/dbraw/zinc/26/17/18/599261718.db2.gz IURWIEDMOVVILZ-JSQNDZKTSA-N -1 3 354.458 3.196 20 0 FGADHM C[C@H](NC(=O)N[C@@H]1CC[C@H]2CCC[C@@H]2C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820357705 599261945 /nfs/dbraw/zinc/26/19/45/599261945.db2.gz IURWIEDMOVVILZ-LBRJOISOSA-N -1 3 354.458 3.196 20 0 FGADHM C[C@H](NC(=O)N[C@@H]1CC[C@H]2CCC[C@@H]2C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820357705 599261946 /nfs/dbraw/zinc/26/19/46/599261946.db2.gz IURWIEDMOVVILZ-LBRJOISOSA-N -1 3 354.458 3.196 20 0 FGADHM Cc1c(NC(=O)N2CC[C@@H](Cc3ccccc3)C2)cccc1-c1nnn[n-]1 ZINC000822084748 607291535 /nfs/dbraw/zinc/29/15/35/607291535.db2.gz OOGFZRMUXHDFGN-INIZCTEOSA-N -1 3 362.437 3.272 20 0 FGADHM Cc1c(NC(=O)N2CC[C@@H](Cc3ccccc3)C2)cccc1-c1nn[n-]n1 ZINC000822084748 607291536 /nfs/dbraw/zinc/29/15/36/607291536.db2.gz OOGFZRMUXHDFGN-INIZCTEOSA-N -1 3 362.437 3.272 20 0 FGADHM Cc1c(NC(=O)N[C@H](C)[C@H](C)c2ccccc2)cccc1-c1nnn[n-]1 ZINC000822091823 607293232 /nfs/dbraw/zinc/29/32/32/607293232.db2.gz SUZPQQMSILNCFY-GXTWGEPZSA-N -1 3 350.426 3.489 20 0 FGADHM Cc1c(NC(=O)N[C@H](C)[C@H](C)c2ccccc2)cccc1-c1nn[n-]n1 ZINC000822091823 607293233 /nfs/dbraw/zinc/29/32/33/607293233.db2.gz SUZPQQMSILNCFY-GXTWGEPZSA-N -1 3 350.426 3.489 20 0 FGADHM CC[C@H](Oc1cccc(C)c1)C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000820938910 607293970 /nfs/dbraw/zinc/29/39/70/607293970.db2.gz ONATWMSUOHYLEQ-KRWDZBQOSA-N -1 3 351.410 3.280 20 0 FGADHM CC[C@H](Oc1cccc(C)c1)C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000820938910 607293971 /nfs/dbraw/zinc/29/39/71/607293971.db2.gz ONATWMSUOHYLEQ-KRWDZBQOSA-N -1 3 351.410 3.280 20 0 FGADHM CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000819906752 607298670 /nfs/dbraw/zinc/29/86/70/607298670.db2.gz JXAVFQWQDZPDEM-DGCLKSJQSA-N -1 3 362.865 3.250 20 0 FGADHM CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000819906752 607298671 /nfs/dbraw/zinc/29/86/71/607298671.db2.gz JXAVFQWQDZPDEM-DGCLKSJQSA-N -1 3 362.865 3.250 20 0 FGADHM CC(C)(C)[C@H]1CCCC[C@@H]1NC(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000819906751 607298688 /nfs/dbraw/zinc/29/86/88/607298688.db2.gz JXAVFQWQDZPDEM-AAEUAGOBSA-N -1 3 362.865 3.250 20 0 FGADHM CC(C)(C)[C@H]1CCCC[C@@H]1NC(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000819906751 607298689 /nfs/dbraw/zinc/29/86/89/607298689.db2.gz JXAVFQWQDZPDEM-AAEUAGOBSA-N -1 3 362.865 3.250 20 0 FGADHM CC(C)N(C)c1cccc(NC(=O)c2ncc(-c3nnn[n-]3)cc2Cl)c1 ZINC000820111583 607300369 /nfs/dbraw/zinc/30/03/69/607300369.db2.gz AQOKCVVQADMSRW-UHFFFAOYSA-N -1 3 371.832 3.012 20 0 FGADHM CC(C)N(C)c1cccc(NC(=O)c2ncc(-c3nn[n-]n3)cc2Cl)c1 ZINC000820111583 607300370 /nfs/dbraw/zinc/30/03/70/607300370.db2.gz AQOKCVVQADMSRW-UHFFFAOYSA-N -1 3 371.832 3.012 20 0 FGADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)Nc1nc2ccsc2s1 ZINC000737853035 599263219 /nfs/dbraw/zinc/26/32/19/599263219.db2.gz JNSSLFFVWPYPES-UHFFFAOYSA-N -1 3 356.436 3.109 20 0 FGADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)Nc1nc2ccsc2s1 ZINC000737853035 599263222 /nfs/dbraw/zinc/26/32/22/599263222.db2.gz JNSSLFFVWPYPES-UHFFFAOYSA-N -1 3 356.436 3.109 20 0 FGADHM Clc1ccc(NCc2cccc3c2OCCCO3)c(-c2nnn[n-]2)c1 ZINC000822579268 607307219 /nfs/dbraw/zinc/30/72/19/607307219.db2.gz ZVJQWQXRZWBMOS-UHFFFAOYSA-N -1 3 357.801 3.294 20 0 FGADHM Clc1ccc(NCc2cccc3c2OCCCO3)c(-c2nn[n-]n2)c1 ZINC000822579268 607307220 /nfs/dbraw/zinc/30/72/20/607307220.db2.gz ZVJQWQXRZWBMOS-UHFFFAOYSA-N -1 3 357.801 3.294 20 0 FGADHM CC(C)c1nccn1Cc1cccc(NCc2ccc(-c3nnn[n-]3)o2)c1 ZINC000820206735 607309583 /nfs/dbraw/zinc/30/95/83/607309583.db2.gz YCMJXMMPTNRLEM-UHFFFAOYSA-N -1 3 363.425 3.440 20 0 FGADHM CC(C)c1nccn1Cc1cccc(NCc2ccc(-c3nn[n-]n3)o2)c1 ZINC000820206735 607309584 /nfs/dbraw/zinc/30/95/84/607309584.db2.gz YCMJXMMPTNRLEM-UHFFFAOYSA-N -1 3 363.425 3.440 20 0 FGADHM COc1ccc(CNc2cccc(N3CCCCC3)c2)cc1-c1nnn[n-]1 ZINC000821821837 607309927 /nfs/dbraw/zinc/30/99/27/607309927.db2.gz ZHNRNJVSOHJFRD-UHFFFAOYSA-N -1 3 364.453 3.478 20 0 FGADHM COc1ccc(CNc2cccc(N3CCCCC3)c2)cc1-c1nn[n-]n1 ZINC000821821837 607309928 /nfs/dbraw/zinc/30/99/28/607309928.db2.gz ZHNRNJVSOHJFRD-UHFFFAOYSA-N -1 3 364.453 3.478 20 0 FGADHM Fc1cc(NCc2ccc(-c3nnn[n-]3)s2)cc(F)c1N1CCCC1 ZINC000822753216 607310056 /nfs/dbraw/zinc/31/00/56/607310056.db2.gz JGQNJXZXQYJJRZ-UHFFFAOYSA-N -1 3 362.409 3.419 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N(C)CCc1cccs1 ZINC000821406225 599264737 /nfs/dbraw/zinc/26/47/37/599264737.db2.gz CYJIROXQDNEPDP-UHFFFAOYSA-N -1 3 372.454 3.033 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N(C)CCc1cccs1 ZINC000821406225 599264739 /nfs/dbraw/zinc/26/47/39/599264739.db2.gz CYJIROXQDNEPDP-UHFFFAOYSA-N -1 3 372.454 3.033 20 0 FGADHM FC(F)(F)c1ccc(N(Cc2ccccn2)C2CC2)c(-c2nnn[n-]2)c1 ZINC000822723930 607303814 /nfs/dbraw/zinc/30/38/14/607303814.db2.gz TWWNGOXWXXMAJE-UHFFFAOYSA-N -1 3 360.343 3.450 20 0 FGADHM FC(F)(F)c1ccc(N(Cc2ccccn2)C2CC2)c(-c2nn[n-]n2)c1 ZINC000822723930 607303815 /nfs/dbraw/zinc/30/38/15/607303815.db2.gz TWWNGOXWXXMAJE-UHFFFAOYSA-N -1 3 360.343 3.450 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@@](C)(CC)C1 ZINC000821406145 599266397 /nfs/dbraw/zinc/26/63/97/599266397.db2.gz AKJUNQMEFLSPIE-GOSISDBHSA-N -1 3 358.446 3.309 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@@](C)(CC)C1 ZINC000821406145 599266400 /nfs/dbraw/zinc/26/64/00/599266400.db2.gz AKJUNQMEFLSPIE-GOSISDBHSA-N -1 3 358.446 3.309 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H](C)C1CCCCC1 ZINC000821406435 599267108 /nfs/dbraw/zinc/26/71/08/599267108.db2.gz DSICBLQLEBXDKH-GFCCVEGCSA-N -1 3 358.446 3.356 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H](C)C1CCCCC1 ZINC000821406435 599267111 /nfs/dbraw/zinc/26/71/11/599267111.db2.gz DSICBLQLEBXDKH-GFCCVEGCSA-N -1 3 358.446 3.356 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC2(CCCC2)C1 ZINC000821407961 599267250 /nfs/dbraw/zinc/26/72/50/599267250.db2.gz ZARGQOWTFBXDJH-UHFFFAOYSA-N -1 3 356.430 3.063 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC2(CCCC2)C1 ZINC000821407961 599267251 /nfs/dbraw/zinc/26/72/51/599267251.db2.gz ZARGQOWTFBXDJH-UHFFFAOYSA-N -1 3 356.430 3.063 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H]1C[C@@H]1C1CCCCC1 ZINC000821406891 599267260 /nfs/dbraw/zinc/26/72/60/599267260.db2.gz LMQAAJDOAKPAHQ-HUUCEWRRSA-N -1 3 370.457 3.356 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@H]1C[C@@H]1C1CCCCC1 ZINC000821406891 599267262 /nfs/dbraw/zinc/26/72/62/599267262.db2.gz LMQAAJDOAKPAHQ-HUUCEWRRSA-N -1 3 370.457 3.356 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)NCCCCC1CCCC1 ZINC000821762401 599271817 /nfs/dbraw/zinc/27/18/17/599271817.db2.gz KJZPMWBENOONBL-UHFFFAOYSA-N -1 3 358.446 3.357 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)NCCCCC1CCCC1 ZINC000821762401 599271818 /nfs/dbraw/zinc/27/18/18/599271818.db2.gz KJZPMWBENOONBL-UHFFFAOYSA-N -1 3 358.446 3.357 20 0 FGADHM COC(=O)[C@@H](N[C@H](C)c1ccc(-c2nnn[n-]2)cc1)c1cccc(Cl)c1 ZINC000736893474 599273320 /nfs/dbraw/zinc/27/33/20/599273320.db2.gz DJBWZYSBYQQSQB-BZNIZROVSA-N -1 3 371.828 3.085 20 0 FGADHM COC(=O)[C@@H](N[C@H](C)c1ccc(-c2nn[n-]n2)cc1)c1cccc(Cl)c1 ZINC000736893474 599273323 /nfs/dbraw/zinc/27/33/23/599273323.db2.gz DJBWZYSBYQQSQB-BZNIZROVSA-N -1 3 371.828 3.085 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CCc1ccc(F)cc1 ZINC000736488906 599277592 /nfs/dbraw/zinc/27/75/92/599277592.db2.gz TYPNCLYUUUKRTM-UHFFFAOYSA-N -1 3 368.416 3.399 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CCc1cccs1 ZINC000736487112 599279096 /nfs/dbraw/zinc/27/90/96/599279096.db2.gz CTZXDBXDDFJCQT-UHFFFAOYSA-N -1 3 356.455 3.321 20 0 FGADHM Cc1cc(C)cc(C[C@H](C)NC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000822196642 599279322 /nfs/dbraw/zinc/27/93/22/599279322.db2.gz QZSCXXRVJHCMMX-ZDUSSCGKSA-N -1 3 368.416 3.375 20 0 FGADHM Cc1cc(C)cc(C[C@H](C)NC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000822196642 599279324 /nfs/dbraw/zinc/27/93/24/599279324.db2.gz QZSCXXRVJHCMMX-ZDUSSCGKSA-N -1 3 368.416 3.375 20 0 FGADHM CC(C)(C)[C@H](NC(=O)CSc1ccc(-c2nnn[n-]2)cc1)C(F)(F)F ZINC000735588718 599282031 /nfs/dbraw/zinc/28/20/31/599282031.db2.gz GEUAABCEJJKJOK-ZDUSSCGKSA-N -1 3 373.404 3.052 20 0 FGADHM CC(C)(C)[C@H](NC(=O)CSc1ccc(-c2nn[n-]n2)cc1)C(F)(F)F ZINC000735588718 599282033 /nfs/dbraw/zinc/28/20/33/599282033.db2.gz GEUAABCEJJKJOK-ZDUSSCGKSA-N -1 3 373.404 3.052 20 0 FGADHM COc1ccc(OCCN(C)c2cccc(Cl)c2-c2nnn[n-]2)cc1 ZINC000821843063 599284465 /nfs/dbraw/zinc/28/44/65/599284465.db2.gz YGZKBMGKNKLYBP-UHFFFAOYSA-N -1 3 359.817 3.044 20 0 FGADHM COc1ccc(OCCN(C)c2cccc(Cl)c2-c2nn[n-]n2)cc1 ZINC000821843063 599284467 /nfs/dbraw/zinc/28/44/67/599284467.db2.gz YGZKBMGKNKLYBP-UHFFFAOYSA-N -1 3 359.817 3.044 20 0 FGADHM C[C@@H](NC(=O)Nc1ccc2ccn(C)c2c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820380570 599285553 /nfs/dbraw/zinc/28/55/53/599285553.db2.gz WMASCADYRICHFR-GFCCVEGCSA-N -1 3 361.409 3.241 20 0 FGADHM C[C@@H](NC(=O)Nc1ccc2ccn(C)c2c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820380570 599285555 /nfs/dbraw/zinc/28/55/55/599285555.db2.gz WMASCADYRICHFR-GFCCVEGCSA-N -1 3 361.409 3.241 20 0 FGADHM CC[C@@H](NC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C(C)C ZINC000820920463 599289217 /nfs/dbraw/zinc/28/92/17/599289217.db2.gz QCWONGXMFICTME-GFCCVEGCSA-N -1 3 356.352 3.442 20 0 FGADHM CC[C@@H](NC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C(C)C ZINC000820920463 599289219 /nfs/dbraw/zinc/28/92/19/599289219.db2.gz QCWONGXMFICTME-GFCCVEGCSA-N -1 3 356.352 3.442 20 0 FGADHM CC(C)(CNC(=S)Nc1ccccc1-c1nnn[n-]1)c1cccc(F)c1 ZINC000735670162 599289675 /nfs/dbraw/zinc/28/96/75/599289675.db2.gz GRHYXXGMFCYPME-UHFFFAOYSA-N -1 3 370.457 3.270 20 0 FGADHM CC(C)(CNC(=S)Nc1ccccc1-c1nn[n-]n1)c1cccc(F)c1 ZINC000735670162 599289677 /nfs/dbraw/zinc/28/96/77/599289677.db2.gz GRHYXXGMFCYPME-UHFFFAOYSA-N -1 3 370.457 3.270 20 0 FGADHM O=C(NCc1ccsc1)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000823266106 599290021 /nfs/dbraw/zinc/29/00/21/599290021.db2.gz MAAVJNUSXJPVLF-UHFFFAOYSA-N -1 3 368.344 3.269 20 0 FGADHM O=C(NCc1ccsc1)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823266106 599290023 /nfs/dbraw/zinc/29/00/23/599290023.db2.gz MAAVJNUSXJPVLF-UHFFFAOYSA-N -1 3 368.344 3.269 20 0 FGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)[C@H]1CSc2ccccc21 ZINC000735654519 599291352 /nfs/dbraw/zinc/29/13/52/599291352.db2.gz DXSAYPTYVBNRRS-ZDUSSCGKSA-N -1 3 368.466 3.251 20 0 FGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)[C@H]1CSc2ccccc21 ZINC000735654519 599291353 /nfs/dbraw/zinc/29/13/53/599291353.db2.gz DXSAYPTYVBNRRS-ZDUSSCGKSA-N -1 3 368.466 3.251 20 0 FGADHM CC(C)Cn1ccnc1CNc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000820108995 607326808 /nfs/dbraw/zinc/32/68/08/607326808.db2.gz YISACQOIUXMPKD-UHFFFAOYSA-N -1 3 365.363 3.350 20 0 FGADHM O=C([O-])CCCCNCc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000635315179 598165943 /nfs/dbraw/zinc/16/59/43/598165943.db2.gz HSLSWARZXVAOME-UHFFFAOYSA-N -1 3 352.232 3.184 20 0 FGADHM CC[C@H](C)[C@H](C)N(C(=O)CSc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000736329172 598240992 /nfs/dbraw/zinc/24/09/92/598240992.db2.gz IOYKDDWMQNDWCL-STQMWFEESA-N -1 3 359.499 3.384 20 0 FGADHM CC[C@H](C)[C@H](C)N(C(=O)CSc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000736329172 598240993 /nfs/dbraw/zinc/24/09/93/598240993.db2.gz IOYKDDWMQNDWCL-STQMWFEESA-N -1 3 359.499 3.384 20 0 FGADHM Cc1nnc(NCc2ccccc2OCCC(C)C)c(-c2nnn[n-]2)c1C ZINC000737531921 598247075 /nfs/dbraw/zinc/24/70/75/598247075.db2.gz GTHLPLRUQSTYJP-UHFFFAOYSA-N -1 3 367.457 3.311 20 0 FGADHM Cc1nnc(NCc2ccccc2OCCC(C)C)c(-c2nn[n-]n2)c1C ZINC000737531921 598247076 /nfs/dbraw/zinc/24/70/76/598247076.db2.gz GTHLPLRUQSTYJP-UHFFFAOYSA-N -1 3 367.457 3.311 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC(C)(CC)CC1 ZINC000736637166 598263635 /nfs/dbraw/zinc/26/36/35/598263635.db2.gz PLGSDLSCKNKFIE-UHFFFAOYSA-N -1 3 358.446 3.309 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC(C)(CC)CC1 ZINC000736637166 598263637 /nfs/dbraw/zinc/26/36/37/598263637.db2.gz PLGSDLSCKNKFIE-UHFFFAOYSA-N -1 3 358.446 3.309 20 0 FGADHM Cc1cc(C)c(-c2nnn[n-]2)c(S[C@H](C)C(=O)Nc2cccc(F)c2)n1 ZINC000737240721 598271081 /nfs/dbraw/zinc/27/10/81/598271081.db2.gz MHSPSLOPOUTVRP-LLVKDONJSA-N -1 3 372.429 3.137 20 0 FGADHM Cc1cc(C)c(-c2nn[n-]n2)c(S[C@H](C)C(=O)Nc2cccc(F)c2)n1 ZINC000737240721 598271082 /nfs/dbraw/zinc/27/10/82/598271082.db2.gz MHSPSLOPOUTVRP-LLVKDONJSA-N -1 3 372.429 3.137 20 0 FGADHM Cc1cc(C)c(-c2nnn[n-]2)c(S[C@@H](C)C(=O)N(C(C)C)C(C)C)n1 ZINC000737239587 598271441 /nfs/dbraw/zinc/27/14/41/598271441.db2.gz DOQIHGYTMKCTRS-ZDUSSCGKSA-N -1 3 362.503 3.005 20 0 FGADHM Cc1cc(C)c(-c2nn[n-]n2)c(S[C@@H](C)C(=O)N(C(C)C)C(C)C)n1 ZINC000737239587 598271443 /nfs/dbraw/zinc/27/14/43/598271443.db2.gz DOQIHGYTMKCTRS-ZDUSSCGKSA-N -1 3 362.503 3.005 20 0 FGADHM Cc1ccc(CN(C)C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)cc1 ZINC000737336485 598275110 /nfs/dbraw/zinc/27/51/10/598275110.db2.gz FSMYLLOAIFQENS-UHFFFAOYSA-N -1 3 367.457 3.396 20 0 FGADHM Cc1ccc(CN(C)C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)cc1 ZINC000737336485 598275111 /nfs/dbraw/zinc/27/51/11/598275111.db2.gz FSMYLLOAIFQENS-UHFFFAOYSA-N -1 3 367.457 3.396 20 0 FGADHM C[C@@H](CC(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F)c1ccc(F)cc1 ZINC000735976639 598279614 /nfs/dbraw/zinc/27/96/14/598279614.db2.gz SRPNKALXYMTVRX-NSHDSACASA-N -1 3 357.364 3.302 20 0 FGADHM C[C@@H](CC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F)c1ccc(F)cc1 ZINC000735976639 598279615 /nfs/dbraw/zinc/27/96/15/598279615.db2.gz SRPNKALXYMTVRX-NSHDSACASA-N -1 3 357.364 3.302 20 0 FGADHM CN(C(=O)[C@H]1CCC[C@H](C(F)(F)F)C1)c1ccc(-c2nnn[n-]2)cc1F ZINC000736733743 598280164 /nfs/dbraw/zinc/28/01/64/598280164.db2.gz XSJFADBKLMRVPC-QWRGUYRKSA-N -1 3 371.338 3.337 20 0 FGADHM CN(C(=O)[C@H]1CCC[C@H](C(F)(F)F)C1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736733743 598280166 /nfs/dbraw/zinc/28/01/66/598280166.db2.gz XSJFADBKLMRVPC-QWRGUYRKSA-N -1 3 371.338 3.337 20 0 FGADHM CCN(CCC(F)(F)F)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736536837 598281227 /nfs/dbraw/zinc/28/12/27/598281227.db2.gz IGVAYWCWUAXGGH-UHFFFAOYSA-N -1 3 373.383 3.229 20 0 FGADHM CCN(CCC(F)(F)F)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736536837 598281229 /nfs/dbraw/zinc/28/12/29/598281229.db2.gz IGVAYWCWUAXGGH-UHFFFAOYSA-N -1 3 373.383 3.229 20 0 FGADHM CCOc1cc2c(cc1NCc1ccc(-c3nnn[n-]3)cc1F)O[C@@H](C)C2 ZINC000736636751 598282983 /nfs/dbraw/zinc/28/29/83/598282983.db2.gz RQIIUOURNOXLHP-NSHDSACASA-N -1 3 369.400 3.340 20 0 FGADHM CCOc1cc2c(cc1NCc1ccc(-c3nn[n-]n3)cc1F)O[C@@H](C)C2 ZINC000736636751 598282985 /nfs/dbraw/zinc/28/29/85/598282985.db2.gz RQIIUOURNOXLHP-NSHDSACASA-N -1 3 369.400 3.340 20 0 FGADHM O=C(Oc1cccc(OCC(F)(F)F)c1)c1sccc1-c1nnn[n-]1 ZINC000738247978 598283776 /nfs/dbraw/zinc/28/37/76/598283776.db2.gz URQJCRXSWXDMET-UHFFFAOYSA-N -1 3 370.312 3.089 20 0 FGADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)Cc2c[nH]c3cc(C)ccc23)s1 ZINC000736678979 598295459 /nfs/dbraw/zinc/29/54/59/598295459.db2.gz IGLYJKUGSUGYCW-UHFFFAOYSA-N -1 3 366.450 3.462 20 0 FGADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)Cc2c[nH]c3cc(C)ccc23)s1 ZINC000736678979 598295461 /nfs/dbraw/zinc/29/54/61/598295461.db2.gz IGLYJKUGSUGYCW-UHFFFAOYSA-N -1 3 366.450 3.462 20 0 FGADHM CCc1cc2c(ncnc2NCc2ccc(-c3nnn[n-]3)cc2F)s1 ZINC000736677846 598310438 /nfs/dbraw/zinc/31/04/38/598310438.db2.gz PENTZHHIGNJTCF-UHFFFAOYSA-N -1 3 355.402 3.185 20 0 FGADHM CCc1cc2c(ncnc2NCc2ccc(-c3nn[n-]n3)cc2F)s1 ZINC000736677846 598310440 /nfs/dbraw/zinc/31/04/40/598310440.db2.gz PENTZHHIGNJTCF-UHFFFAOYSA-N -1 3 355.402 3.185 20 0 FGADHM Fc1ccccc1CNC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737667643 598317900 /nfs/dbraw/zinc/31/79/00/598317900.db2.gz AYVGXVPZGDVDAH-UHFFFAOYSA-N -1 3 362.821 3.146 20 0 FGADHM Fc1ccccc1CNC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737667643 598317903 /nfs/dbraw/zinc/31/79/03/598317903.db2.gz AYVGXVPZGDVDAH-UHFFFAOYSA-N -1 3 362.821 3.146 20 0 FGADHM CCc1cccc(C)c1NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000736696824 598322171 /nfs/dbraw/zinc/32/21/71/598322171.db2.gz BGLBWIYUEALYAK-UHFFFAOYSA-N -1 3 354.389 3.198 20 0 FGADHM CCc1cccc(C)c1NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000736696824 598322173 /nfs/dbraw/zinc/32/21/73/598322173.db2.gz BGLBWIYUEALYAK-UHFFFAOYSA-N -1 3 354.389 3.198 20 0 FGADHM CO[C@H](C)c1cccc(NC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000736964510 598324155 /nfs/dbraw/zinc/32/41/55/598324155.db2.gz XPKQQXULOUJGNE-LLVKDONJSA-N -1 3 370.388 3.035 20 0 FGADHM CO[C@H](C)c1cccc(NC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000736964510 598324156 /nfs/dbraw/zinc/32/41/56/598324156.db2.gz XPKQQXULOUJGNE-LLVKDONJSA-N -1 3 370.388 3.035 20 0 FGADHM C[C@@H](NC(=O)Nc1ccc(-c2cc[nH]n2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736116285 598332362 /nfs/dbraw/zinc/33/23/62/598332362.db2.gz MNNAUANXZNOXPD-GFCCVEGCSA-N -1 3 374.408 3.140 20 0 FGADHM C[C@@H](NC(=O)Nc1ccc(-c2cc[nH]n2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736116285 598332364 /nfs/dbraw/zinc/33/23/64/598332364.db2.gz MNNAUANXZNOXPD-GFCCVEGCSA-N -1 3 374.408 3.140 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N1CCC[C@@H](Cc2ccccc2)C1 ZINC000737801361 598362643 /nfs/dbraw/zinc/36/26/43/598362643.db2.gz SZTBKMJZYVGKRJ-SQVRQVGWSA-N -1 3 373.460 3.361 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N1CCC[C@@H](Cc2ccccc2)C1 ZINC000737801361 598362645 /nfs/dbraw/zinc/36/26/45/598362645.db2.gz SZTBKMJZYVGKRJ-SQVRQVGWSA-N -1 3 373.460 3.361 20 0 FGADHM Cc1ccc(NC(=O)c2sccc2-c2nnn[n-]2)cc1OCC(F)F ZINC000737359492 598367045 /nfs/dbraw/zinc/36/70/45/598367045.db2.gz HNJXXDCYXOPGMC-UHFFFAOYSA-N -1 3 365.365 3.133 20 0 FGADHM Cc1ccc(NC(=O)c2sccc2-c2nn[n-]n2)cc1OCC(F)F ZINC000737359492 598367046 /nfs/dbraw/zinc/36/70/46/598367046.db2.gz HNJXXDCYXOPGMC-UHFFFAOYSA-N -1 3 365.365 3.133 20 0 FGADHM COc1ccc(NC(=S)NCc2ccc(-c3nnn[n-]3)cc2)cc1Cl ZINC000737104537 598378706 /nfs/dbraw/zinc/37/87/06/598378706.db2.gz RRFPWUMLWPZOTM-UHFFFAOYSA-N -1 3 374.857 3.015 20 0 FGADHM COc1ccc(NC(=S)NCc2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC000737104537 598378707 /nfs/dbraw/zinc/37/87/07/598378707.db2.gz RRFPWUMLWPZOTM-UHFFFAOYSA-N -1 3 374.857 3.015 20 0 FGADHM Cc1[nH]c2ccccc2c1C=C1N=C(c2ccc(-c3nnn[n-]3)cc2)OC1=O ZINC000737197680 598380030 /nfs/dbraw/zinc/38/00/30/598380030.db2.gz BXCRTAHKJIAMPH-LICLKQGHSA-N -1 3 370.372 3.001 20 0 FGADHM Cc1[nH]c2ccccc2c1C=C1N=C(c2ccc(-c3nn[n-]n3)cc2)OC1=O ZINC000737197680 598380032 /nfs/dbraw/zinc/38/00/32/598380032.db2.gz BXCRTAHKJIAMPH-LICLKQGHSA-N -1 3 370.372 3.001 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)[C@@H]1CCCc2sccc21 ZINC000823426230 607355477 /nfs/dbraw/zinc/35/54/77/607355477.db2.gz DUTCYHNLXFHHDB-CYBMUJFWSA-N -1 3 358.398 3.231 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)[C@@H]1CCCc2sccc21 ZINC000823426230 607355479 /nfs/dbraw/zinc/35/54/79/607355479.db2.gz DUTCYHNLXFHHDB-CYBMUJFWSA-N -1 3 358.398 3.231 20 0 FGADHM C[C@@H](c1ccccc1)N(C(=O)CNc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000736204914 598383617 /nfs/dbraw/zinc/38/36/17/598383617.db2.gz SYFWVUWWUNJRJS-AWEZNQCLSA-N -1 3 362.437 3.031 20 0 FGADHM CN(CCOc1ccccc1Cl)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000736804850 598387802 /nfs/dbraw/zinc/38/78/02/598387802.db2.gz YSPFQSPAYVPABV-UHFFFAOYSA-N -1 3 365.224 3.084 20 0 FGADHM CN(CCOc1ccccc1Cl)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000736804850 598387804 /nfs/dbraw/zinc/38/78/04/598387804.db2.gz YSPFQSPAYVPABV-UHFFFAOYSA-N -1 3 365.224 3.084 20 0 FGADHM COc1ccc(OC(C)C)c(NC(=O)Nc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737109840 598389862 /nfs/dbraw/zinc/38/98/62/598389862.db2.gz UTFQQSMMFFFNJM-UHFFFAOYSA-N -1 3 368.397 3.307 20 0 FGADHM COc1ccc(OC(C)C)c(NC(=O)Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737109840 598389864 /nfs/dbraw/zinc/38/98/64/598389864.db2.gz UTFQQSMMFFFNJM-UHFFFAOYSA-N -1 3 368.397 3.307 20 0 FGADHM Cc1cn(-c2ccccc2)nc1NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000737443041 598400140 /nfs/dbraw/zinc/40/01/40/598400140.db2.gz SYBNHVIKLHFSGP-VAWYXSNFSA-N -1 3 371.404 3.013 20 0 FGADHM Cc1cn(-c2ccccc2)nc1NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000737443041 598400141 /nfs/dbraw/zinc/40/01/41/598400141.db2.gz SYBNHVIKLHFSGP-VAWYXSNFSA-N -1 3 371.404 3.013 20 0 FGADHM Cc1ccccc1C1(C(=O)OCc2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000737420141 598411526 /nfs/dbraw/zinc/41/15/26/598411526.db2.gz IPEQRLSIZHECBK-UHFFFAOYSA-N -1 3 352.369 3.089 20 0 FGADHM Cc1ccccc1C1(C(=O)OCc2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000737420141 598411527 /nfs/dbraw/zinc/41/15/27/598411527.db2.gz IPEQRLSIZHECBK-UHFFFAOYSA-N -1 3 352.369 3.089 20 0 FGADHM COc1ccccc1C/C(C)=C\C(=O)OCc1cccc(-c2nnn[n-]2)c1 ZINC000737153090 598412423 /nfs/dbraw/zinc/41/24/23/598412423.db2.gz PUSDGNJAYHMREU-KAMYIIQDSA-N -1 3 364.405 3.108 20 0 FGADHM COc1ccccc1C/C(C)=C\C(=O)OCc1cccc(-c2nn[n-]n2)c1 ZINC000737153090 598412425 /nfs/dbraw/zinc/41/24/25/598412425.db2.gz PUSDGNJAYHMREU-KAMYIIQDSA-N -1 3 364.405 3.108 20 0 FGADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1cccc2c1ccn2C ZINC000736819616 598412669 /nfs/dbraw/zinc/41/26/69/598412669.db2.gz FXUJOLHTFMAMIK-UHFFFAOYSA-N -1 3 361.409 3.022 20 0 FGADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1cccc2c1ccn2C ZINC000736819616 598412671 /nfs/dbraw/zinc/41/26/71/598412671.db2.gz FXUJOLHTFMAMIK-UHFFFAOYSA-N -1 3 361.409 3.022 20 0 FGADHM C[C@@H](Sc1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1ccccc1Cl ZINC000736191283 598414365 /nfs/dbraw/zinc/41/43/65/598414365.db2.gz HXAGGNHGPHMAFJ-LLVKDONJSA-N -1 3 373.869 3.317 20 0 FGADHM C[C@@H](Sc1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1ccccc1Cl ZINC000736191283 598414367 /nfs/dbraw/zinc/41/43/67/598414367.db2.gz HXAGGNHGPHMAFJ-LLVKDONJSA-N -1 3 373.869 3.317 20 0 FGADHM CCN(Cc1c(C)nn(C)c1Cl)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736555636 598426240 /nfs/dbraw/zinc/42/62/40/598426240.db2.gz OGAXXHHVGNAIJW-GFCCVEGCSA-N -1 3 359.865 3.145 20 0 FGADHM O=C(Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1)NC1CCC1 ZINC000738173150 598432298 /nfs/dbraw/zinc/43/22/98/598432298.db2.gz COMCIFRDPYMTPY-UHFFFAOYSA-N -1 3 350.382 3.333 20 0 FGADHM O=C(Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1)NC1CCC1 ZINC000738173150 598432299 /nfs/dbraw/zinc/43/22/99/598432299.db2.gz COMCIFRDPYMTPY-UHFFFAOYSA-N -1 3 350.382 3.333 20 0 FGADHM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)cn1)c1ccc(Cl)cc1Cl ZINC000736116722 598437409 /nfs/dbraw/zinc/43/74/09/598437409.db2.gz COWYSAVVXRJMHG-MRVPVSSYSA-N -1 3 363.208 3.060 20 0 FGADHM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)cn1)c1ccc(Cl)cc1Cl ZINC000736116722 598437411 /nfs/dbraw/zinc/43/74/11/598437411.db2.gz COWYSAVVXRJMHG-MRVPVSSYSA-N -1 3 363.208 3.060 20 0 FGADHM CC(C)c1ccc(CN(C(=O)c2ccc(-c3nnn[n-]3)cn2)C2CC2)cc1 ZINC000735924405 598439041 /nfs/dbraw/zinc/43/90/41/598439041.db2.gz SJSSILQQZNQSIC-UHFFFAOYSA-N -1 3 362.437 3.190 20 0 FGADHM CC(C)c1ccc(CN(C(=O)c2ccc(-c3nn[n-]n3)cn2)C2CC2)cc1 ZINC000735924405 598439043 /nfs/dbraw/zinc/43/90/43/598439043.db2.gz SJSSILQQZNQSIC-UHFFFAOYSA-N -1 3 362.437 3.190 20 0 FGADHM CCCN(C(=O)c1ccc(-c2nnn[n-]2)cn1)c1cccc2ccccc21 ZINC000736473195 598449795 /nfs/dbraw/zinc/44/97/95/598449795.db2.gz ZDMQWBREOCZJGW-UHFFFAOYSA-N -1 3 358.405 3.472 20 0 FGADHM CCCN(C(=O)c1ccc(-c2nn[n-]n2)cn1)c1cccc2ccccc21 ZINC000736473195 598449797 /nfs/dbraw/zinc/44/97/97/598449797.db2.gz ZDMQWBREOCZJGW-UHFFFAOYSA-N -1 3 358.405 3.472 20 0 FGADHM CSCc1ccc(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000737182423 598449937 /nfs/dbraw/zinc/44/99/37/598449937.db2.gz QXCXPSJPYVKFQY-DHZHZOJOSA-N -1 3 351.435 3.382 20 0 FGADHM CSCc1ccc(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000737182423 598449939 /nfs/dbraw/zinc/44/99/39/598449939.db2.gz QXCXPSJPYVKFQY-DHZHZOJOSA-N -1 3 351.435 3.382 20 0 FGADHM O=C(Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1)C1=COCCC1 ZINC000738173913 598450905 /nfs/dbraw/zinc/45/09/05/598450905.db2.gz VNCDJIMHDROGQK-UHFFFAOYSA-N -1 3 363.377 3.292 20 0 FGADHM O=C(Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)C1=COCCC1 ZINC000738173913 598450907 /nfs/dbraw/zinc/45/09/07/598450907.db2.gz VNCDJIMHDROGQK-UHFFFAOYSA-N -1 3 363.377 3.292 20 0 FGADHM c1cc(-c2nc(CNCc3cccc(-c4nn[n-]n4)c3)cs2)cs1 ZINC000738413102 598466310 /nfs/dbraw/zinc/46/63/10/598466310.db2.gz NHPBOYLZSURYAT-UHFFFAOYSA-N -1 3 354.464 3.342 20 0 FGADHM C[C@@H]1CCC[C@H](NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)[C@H]1C ZINC000736257147 598475974 /nfs/dbraw/zinc/47/59/74/598475974.db2.gz BWDVBAGRMDSBFB-GLJUWKHASA-N -1 3 368.485 3.365 20 0 FGADHM C[C@@H]1CCC[C@H](NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)[C@H]1C ZINC000736257147 598475976 /nfs/dbraw/zinc/47/59/76/598475976.db2.gz BWDVBAGRMDSBFB-GLJUWKHASA-N -1 3 368.485 3.365 20 0 FGADHM C[C@@H]1CCCC[C@@H]1NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000736271047 598476231 /nfs/dbraw/zinc/47/62/31/598476231.db2.gz MGJTWWSQHKWZRQ-DYVFJYSZSA-N -1 3 354.458 3.119 20 0 FGADHM C[C@@H]1CCCC[C@@H]1NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000736271047 598476232 /nfs/dbraw/zinc/47/62/32/598476232.db2.gz MGJTWWSQHKWZRQ-DYVFJYSZSA-N -1 3 354.458 3.119 20 0 FGADHM Cc1ccccc1CN(C(=O)NCc1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000737428317 598477997 /nfs/dbraw/zinc/47/79/97/598477997.db2.gz WOLBOUPEACSOSC-UHFFFAOYSA-N -1 3 362.437 3.049 20 0 FGADHM Cc1ccccc1CN(C(=O)NCc1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000737428317 598477998 /nfs/dbraw/zinc/47/79/98/598477998.db2.gz WOLBOUPEACSOSC-UHFFFAOYSA-N -1 3 362.437 3.049 20 0 FGADHM CC(C)Cc1nc(C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000735851373 598483422 /nfs/dbraw/zinc/48/34/22/598483422.db2.gz RQKRKVPCUNJNNG-NSHDSACASA-N -1 3 357.439 3.440 20 0 FGADHM CC(C)Cc1nc(C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000735851373 598483423 /nfs/dbraw/zinc/48/34/23/598483423.db2.gz RQKRKVPCUNJNNG-NSHDSACASA-N -1 3 357.439 3.440 20 0 FGADHM C[C@H](OC(=O)CCOc1cccc(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000736147568 598485857 /nfs/dbraw/zinc/48/58/57/598485857.db2.gz CEMYDCONWAKPFY-LBPRGKRZSA-N -1 3 356.357 3.079 20 0 FGADHM C[C@H](OC(=O)CCOc1cccc(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000736147568 598485858 /nfs/dbraw/zinc/48/58/58/598485858.db2.gz CEMYDCONWAKPFY-LBPRGKRZSA-N -1 3 356.357 3.079 20 0 FGADHM C[C@H](OC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000736148501 598487091 /nfs/dbraw/zinc/48/70/91/598487091.db2.gz DGPCGDBKDVXDRG-JECHBYEQSA-N -1 3 352.369 3.414 20 0 FGADHM C[C@H](OC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000736148501 598487093 /nfs/dbraw/zinc/48/70/93/598487093.db2.gz DGPCGDBKDVXDRG-JECHBYEQSA-N -1 3 352.369 3.414 20 0 FGADHM Cc1cccc(O[C@@H](C)C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)c1 ZINC000737401286 598488785 /nfs/dbraw/zinc/48/87/85/598488785.db2.gz MXOATYRVSLUGJJ-ZDUSSCGKSA-N -1 3 368.441 3.138 20 0 FGADHM Cc1cccc(O[C@@H](C)C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)c1 ZINC000737401286 598488787 /nfs/dbraw/zinc/48/87/87/598488787.db2.gz MXOATYRVSLUGJJ-ZDUSSCGKSA-N -1 3 368.441 3.138 20 0 FGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC000735655297 598489102 /nfs/dbraw/zinc/48/91/02/598489102.db2.gz MPWKFATXYULCBX-HUUCEWRRSA-N -1 3 368.416 3.305 20 0 FGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC000735655297 598489103 /nfs/dbraw/zinc/48/91/03/598489103.db2.gz MPWKFATXYULCBX-HUUCEWRRSA-N -1 3 368.416 3.305 20 0 FGADHM C[C@@H](OC(=O)[C@H]1Cc2ccccc2S1)c1cccc(-c2nnn[n-]2)c1 ZINC000736152459 598490339 /nfs/dbraw/zinc/49/03/39/598490339.db2.gz OMDAYWRPNADBOY-BDJLRTHQSA-N -1 3 352.419 3.188 20 0 FGADHM C[C@@H](OC(=O)[C@H]1Cc2ccccc2S1)c1cccc(-c2nn[n-]n2)c1 ZINC000736152459 598490340 /nfs/dbraw/zinc/49/03/40/598490340.db2.gz OMDAYWRPNADBOY-BDJLRTHQSA-N -1 3 352.419 3.188 20 0 FGADHM COc1ccc(CCC(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737086740 598490523 /nfs/dbraw/zinc/49/05/23/598490523.db2.gz IZTCLAXVLFXQKT-ZDUSSCGKSA-N -1 3 352.394 3.112 20 0 FGADHM COc1ccc(CCC(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737086740 598490525 /nfs/dbraw/zinc/49/05/25/598490525.db2.gz IZTCLAXVLFXQKT-ZDUSSCGKSA-N -1 3 352.394 3.112 20 0 FGADHM Cc1ccnn1-c1ccc(C(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737444539 598491410 /nfs/dbraw/zinc/49/14/10/598491410.db2.gz NCQCPOYPSIGJMA-CQSZACIVSA-N -1 3 374.404 3.279 20 0 FGADHM Cc1ccnn1-c1ccc(C(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737444539 598491412 /nfs/dbraw/zinc/49/14/12/598491412.db2.gz NCQCPOYPSIGJMA-CQSZACIVSA-N -1 3 374.404 3.279 20 0 FGADHM Fc1cccc(Cc2nnc(SCc3ccc(-c4nnn[n-]4)cc3)o2)c1 ZINC000737660591 598495393 /nfs/dbraw/zinc/49/53/93/598495393.db2.gz KMWZCWHFINLWKU-UHFFFAOYSA-N -1 3 368.397 3.272 20 0 FGADHM Fc1cccc(Cc2nnc(SCc3ccc(-c4nn[n-]n4)cc3)o2)c1 ZINC000737660591 598495395 /nfs/dbraw/zinc/49/53/95/598495395.db2.gz KMWZCWHFINLWKU-UHFFFAOYSA-N -1 3 368.397 3.272 20 0 FGADHM O=C(C[C@H]1CCCc2ccccc21)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737824052 598495707 /nfs/dbraw/zinc/49/57/07/598495707.db2.gz TVXSLXVLPDUBTM-CQSZACIVSA-N -1 3 365.412 3.132 20 0 FGADHM O=C(C[C@H]1CCCc2ccccc21)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737824052 598495709 /nfs/dbraw/zinc/49/57/09/598495709.db2.gz TVXSLXVLPDUBTM-CQSZACIVSA-N -1 3 365.412 3.132 20 0 FGADHM CCc1c(C)sc(NC(=O)c2ccc(C)c(OC)c2)c1-c1nnn[n-]1 ZINC000736677116 598518224 /nfs/dbraw/zinc/51/82/24/598518224.db2.gz ZPNNAJVMBYJUIC-UHFFFAOYSA-N -1 3 357.439 3.368 20 0 FGADHM CCc1c(C)sc(NC(=O)c2ccc(C)c(OC)c2)c1-c1nn[n-]n1 ZINC000736677116 598518226 /nfs/dbraw/zinc/51/82/26/598518226.db2.gz ZPNNAJVMBYJUIC-UHFFFAOYSA-N -1 3 357.439 3.368 20 0 FGADHM CCCCOc1ccccc1NCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736462727 598522638 /nfs/dbraw/zinc/52/26/38/598522638.db2.gz GXJAYMFXCCHJGA-UHFFFAOYSA-N -1 3 366.425 3.096 20 0 FGADHM CCCCOc1ccccc1NCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736462727 598522640 /nfs/dbraw/zinc/52/26/40/598522640.db2.gz GXJAYMFXCCHJGA-UHFFFAOYSA-N -1 3 366.425 3.096 20 0 FGADHM O=C(Cc1cccc(Cl)c1)OCCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000737967942 598531905 /nfs/dbraw/zinc/53/19/05/598531905.db2.gz BJOVRKQXQWKXBT-UHFFFAOYSA-N -1 3 372.812 3.075 20 0 FGADHM O=C(Oc1ccccc1)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000738247517 598538477 /nfs/dbraw/zinc/53/84/77/598538477.db2.gz QVAWQIJNSOVGDP-UHFFFAOYSA-N -1 3 362.345 3.258 20 0 FGADHM c1cc(-c2nn[n-]n2)ccc1OCCCSCc1noc2c1CCCC2 ZINC000738413288 598541514 /nfs/dbraw/zinc/54/15/14/598541514.db2.gz SIQVHHWCWBKCDJ-UHFFFAOYSA-N -1 3 371.466 3.436 20 0 FGADHM CC[C@H](C)C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736318941 598543606 /nfs/dbraw/zinc/54/36/06/598543606.db2.gz GMWJCXZGRFLWBQ-ZDUSSCGKSA-N -1 3 351.410 3.430 20 0 FGADHM CC[C@H](C)C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736318941 598543607 /nfs/dbraw/zinc/54/36/07/598543607.db2.gz GMWJCXZGRFLWBQ-ZDUSSCGKSA-N -1 3 351.410 3.430 20 0 FGADHM Cc1ccsc1C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000737442192 598547129 /nfs/dbraw/zinc/54/71/29/598547129.db2.gz NDIAVKBLCSFDHR-UHFFFAOYSA-N -1 3 351.338 3.090 20 0 FGADHM Cc1ccsc1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000737442192 598547132 /nfs/dbraw/zinc/54/71/32/598547132.db2.gz NDIAVKBLCSFDHR-UHFFFAOYSA-N -1 3 351.338 3.090 20 0 FGADHM CCc1cccc(CC)c1NC(=O)COc1ccc(-c2nnn[n-]2)c(F)c1 ZINC000736696823 598549295 /nfs/dbraw/zinc/54/92/95/598549295.db2.gz BAWXNQSXUTUXKG-UHFFFAOYSA-N -1 3 369.400 3.148 20 0 FGADHM CCc1cccc(CC)c1NC(=O)COc1ccc(-c2nn[n-]n2)c(F)c1 ZINC000736696823 598549297 /nfs/dbraw/zinc/54/92/97/598549297.db2.gz BAWXNQSXUTUXKG-UHFFFAOYSA-N -1 3 369.400 3.148 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccccc1OCC(C)C ZINC000737062195 598553259 /nfs/dbraw/zinc/55/32/59/598553259.db2.gz JBJNVMMJYWCNHU-UHFFFAOYSA-N -1 3 367.409 3.162 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccccc1OCC(C)C ZINC000737062195 598553261 /nfs/dbraw/zinc/55/32/61/598553261.db2.gz JBJNVMMJYWCNHU-UHFFFAOYSA-N -1 3 367.409 3.162 20 0 FGADHM CCC[C@H](C(=O)OCC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000825224652 607360435 /nfs/dbraw/zinc/36/04/35/607360435.db2.gz AGLVRCNRKSSIBS-KRWDZBQOSA-N -1 3 364.405 3.177 20 0 FGADHM CCC[C@H](C(=O)OCC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000825224652 607360437 /nfs/dbraw/zinc/36/04/37/607360437.db2.gz AGLVRCNRKSSIBS-KRWDZBQOSA-N -1 3 364.405 3.177 20 0 FGADHM Cc1cc(F)cc2c1N(C(=O)C=Cc1ccccc1-c1nnn[n-]1)CCC2 ZINC000737261896 598554332 /nfs/dbraw/zinc/55/43/32/598554332.db2.gz CGQLUNJBUASMQU-HJWRWDBZSA-N -1 3 363.396 3.307 20 0 FGADHM Cc1cc(F)cc2c1N(C(=O)C=Cc1ccccc1-c1nn[n-]n1)CCC2 ZINC000737261896 598554333 /nfs/dbraw/zinc/55/43/33/598554333.db2.gz CGQLUNJBUASMQU-HJWRWDBZSA-N -1 3 363.396 3.307 20 0 FGADHM Cc1ccccc1CNC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000737428138 598561136 /nfs/dbraw/zinc/56/11/36/598561136.db2.gz KTFAKUFDEODVKA-UHFFFAOYSA-N -1 3 374.351 3.098 20 0 FGADHM Cc1ccccc1CNC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000737428138 598561137 /nfs/dbraw/zinc/56/11/37/598561137.db2.gz KTFAKUFDEODVKA-UHFFFAOYSA-N -1 3 374.351 3.098 20 0 FGADHM CCCCN(C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)C1CC1 ZINC000736451874 598562360 /nfs/dbraw/zinc/56/23/60/598562360.db2.gz QNINIJVWILUPJH-UHFFFAOYSA-N -1 3 366.372 3.265 20 0 FGADHM CCCCN(C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)C1CC1 ZINC000736451874 598562361 /nfs/dbraw/zinc/56/23/61/598562361.db2.gz QNINIJVWILUPJH-UHFFFAOYSA-N -1 3 366.372 3.265 20 0 FGADHM C[C@H]1C[C@@H]1CNC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736235865 598563541 /nfs/dbraw/zinc/56/35/41/598563541.db2.gz HPFLVKSOFFMHRU-GXTWGEPZSA-N -1 3 364.409 3.437 20 0 FGADHM C[C@H]1C[C@@H]1CNC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736235865 598563543 /nfs/dbraw/zinc/56/35/43/598563543.db2.gz HPFLVKSOFFMHRU-GXTWGEPZSA-N -1 3 364.409 3.437 20 0 FGADHM Cc1cc(C)cc(OC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737250413 598570670 /nfs/dbraw/zinc/57/06/70/598570670.db2.gz LYRRKXDWEKZVFF-GOSISDBHSA-N -1 3 363.421 3.058 20 0 FGADHM O=C(c1cccc(-c2nnn[n-]2)c1)N1CCCc2c(Cl)ccc(F)c21 ZINC000738267612 598570963 /nfs/dbraw/zinc/57/09/63/598570963.db2.gz KTCGODGZQBMYQE-UHFFFAOYSA-N -1 3 357.776 3.252 20 0 FGADHM O=C(c1cccc(-c2nn[n-]n2)c1)N1CCCc2c(Cl)ccc(F)c21 ZINC000738267612 598570964 /nfs/dbraw/zinc/57/09/64/598570964.db2.gz KTCGODGZQBMYQE-UHFFFAOYSA-N -1 3 357.776 3.252 20 0 FGADHM Cc1csc(CCNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)n1 ZINC000737451964 598573603 /nfs/dbraw/zinc/57/36/03/598573603.db2.gz HZVVBMMHALMLJQ-UHFFFAOYSA-N -1 3 354.361 3.305 20 0 FGADHM Cc1csc(CCNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)n1 ZINC000737451964 598573605 /nfs/dbraw/zinc/57/36/05/598573605.db2.gz HZVVBMMHALMLJQ-UHFFFAOYSA-N -1 3 354.361 3.305 20 0 FGADHM O[C@@H](CNc1c(F)cc(-c2nnn[n-]2)cc1F)c1ccc2ccccc2c1 ZINC000738383829 598581175 /nfs/dbraw/zinc/58/11/75/598581175.db2.gz QVEYHTDTGCQFEZ-KRWDZBQOSA-N -1 3 367.359 3.444 20 0 FGADHM O[C@@H](CNc1c(F)cc(-c2nn[n-]n2)cc1F)c1ccc2ccccc2c1 ZINC000738383829 598581177 /nfs/dbraw/zinc/58/11/77/598581177.db2.gz QVEYHTDTGCQFEZ-KRWDZBQOSA-N -1 3 367.359 3.444 20 0 FGADHM O=C(Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1)c1cc[nH]c1 ZINC000738174377 598589570 /nfs/dbraw/zinc/58/95/70/598589570.db2.gz YMSGSDKQWNFBRQ-UHFFFAOYSA-N -1 3 360.377 3.026 20 0 FGADHM O=C(Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1)c1cc[nH]c1 ZINC000738174377 598589571 /nfs/dbraw/zinc/58/95/71/598589571.db2.gz YMSGSDKQWNFBRQ-UHFFFAOYSA-N -1 3 360.377 3.026 20 0 FGADHM Cc1ccc(SCCC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000737367899 598591120 /nfs/dbraw/zinc/59/11/20/598591120.db2.gz CNEMOZOITQGEIQ-UHFFFAOYSA-N -1 3 357.414 3.435 20 0 FGADHM Cc1ccc(SCCC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000737367899 598591122 /nfs/dbraw/zinc/59/11/22/598591122.db2.gz CNEMOZOITQGEIQ-UHFFFAOYSA-N -1 3 357.414 3.435 20 0 FGADHM O=C(Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1)C1CCC1 ZINC000738174406 598594211 /nfs/dbraw/zinc/59/42/11/598594211.db2.gz YXBUJVOJCUNPEF-UHFFFAOYSA-N -1 3 367.384 3.323 20 0 FGADHM O=C(Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1)C1CCC1 ZINC000738174406 598594212 /nfs/dbraw/zinc/59/42/12/598594212.db2.gz YXBUJVOJCUNPEF-UHFFFAOYSA-N -1 3 367.384 3.323 20 0 FGADHM c1ccc(CCCc2noc(COc3ccc(-c4nn[n-]n4)cc3)n2)cc1 ZINC000738427579 598611725 /nfs/dbraw/zinc/61/17/25/598611725.db2.gz JIBDCTKHDUVSGP-UHFFFAOYSA-N -1 3 362.393 3.004 20 0 FGADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)c1nc(-c2cccc(F)c2)no1 ZINC000736189962 598612493 /nfs/dbraw/zinc/61/24/93/598612493.db2.gz VBWZJUBFBIVBHM-SNVBAGLBSA-N -1 3 352.329 3.196 20 0 FGADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)c1nc(-c2cccc(F)c2)no1 ZINC000736189962 598612495 /nfs/dbraw/zinc/61/24/95/598612495.db2.gz VBWZJUBFBIVBHM-SNVBAGLBSA-N -1 3 352.329 3.196 20 0 FGADHM C[C@H](NC(=O)NC1CC(c2ccccc2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736114012 598617191 /nfs/dbraw/zinc/61/71/91/598617191.db2.gz UDJYEUOPLJUUIM-TZYSRNFLSA-N -1 3 362.437 3.173 20 0 FGADHM C[C@H](NC(=O)NC1CC(c2ccccc2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736114012 598617193 /nfs/dbraw/zinc/61/71/93/598617193.db2.gz UDJYEUOPLJUUIM-TZYSRNFLSA-N -1 3 362.437 3.173 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N[C@@H](c1cccs1)C1CC1 ZINC000738166698 598632869 /nfs/dbraw/zinc/63/28/69/598632869.db2.gz LQPFCYMYUMALRH-CQSZACIVSA-N -1 3 358.402 3.340 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N[C@@H](c1cccs1)C1CC1 ZINC000738166698 598632872 /nfs/dbraw/zinc/63/28/72/598632872.db2.gz LQPFCYMYUMALRH-CQSZACIVSA-N -1 3 358.402 3.340 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N(Cc1ccc(F)cc1)C1CC1 ZINC000738162052 598633025 /nfs/dbraw/zinc/63/30/25/598633025.db2.gz IPPPAIKAMLJPEQ-UHFFFAOYSA-N -1 3 370.363 3.341 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N(Cc1ccc(F)cc1)C1CC1 ZINC000738162052 598633028 /nfs/dbraw/zinc/63/30/28/598633028.db2.gz IPPPAIKAMLJPEQ-UHFFFAOYSA-N -1 3 370.363 3.341 20 0 FGADHM CC(C)c1nccc(NCCSCc2ccccc2-c2nnn[n-]2)n1 ZINC000735942296 598637147 /nfs/dbraw/zinc/63/71/47/598637147.db2.gz HUXKKOIQMAXSEK-UHFFFAOYSA-N -1 3 355.471 3.125 20 0 FGADHM CC(C)c1nccc(NCCSCc2ccccc2-c2nn[n-]n2)n1 ZINC000735942296 598637149 /nfs/dbraw/zinc/63/71/49/598637149.db2.gz HUXKKOIQMAXSEK-UHFFFAOYSA-N -1 3 355.471 3.125 20 0 FGADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)O[C@@H](c1ccccc1)c1cccnc1 ZINC000737955193 598642044 /nfs/dbraw/zinc/64/20/44/598642044.db2.gz AMXGCEBTZKLVLQ-FQEVSTJZSA-N -1 3 371.400 3.137 20 0 FGADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)O[C@@H](c1ccccc1)c1cccnc1 ZINC000737955193 598642046 /nfs/dbraw/zinc/64/20/46/598642046.db2.gz AMXGCEBTZKLVLQ-FQEVSTJZSA-N -1 3 371.400 3.137 20 0 FGADHM Fc1ccc(CSc2nnc(-c3cccs3)o2)c(-c2nnn[n-]2)c1 ZINC000737648169 598643403 /nfs/dbraw/zinc/64/34/03/598643403.db2.gz GRMPMYQZTLVLKF-UHFFFAOYSA-N -1 3 360.399 3.410 20 0 FGADHM Fc1ccc(CSc2nnc(-c3cccs3)o2)c(-c2nn[n-]n2)c1 ZINC000737648169 598643405 /nfs/dbraw/zinc/64/34/05/598643405.db2.gz GRMPMYQZTLVLKF-UHFFFAOYSA-N -1 3 360.399 3.410 20 0 FGADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)Nc1ccc(F)cc1 ZINC000737832762 598644047 /nfs/dbraw/zinc/64/40/47/598644047.db2.gz LLEXKOKDKZPHOL-UHFFFAOYSA-N -1 3 355.373 3.194 20 0 FGADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)Nc1ccc(F)cc1 ZINC000737832762 598644049 /nfs/dbraw/zinc/64/40/49/598644049.db2.gz LLEXKOKDKZPHOL-UHFFFAOYSA-N -1 3 355.373 3.194 20 0 FGADHM CC(C)CC[C@@H](C)NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000735797340 598644223 /nfs/dbraw/zinc/64/42/23/598644223.db2.gz NRAJAEULXZUMPO-OAHLLOKOSA-N -1 3 359.474 3.357 20 0 FGADHM CC(C)CC[C@@H](C)NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000735797340 598644224 /nfs/dbraw/zinc/64/42/24/598644224.db2.gz NRAJAEULXZUMPO-OAHLLOKOSA-N -1 3 359.474 3.357 20 0 FGADHM S=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CC[C@H](c2ccco2)C1 ZINC000738400257 598644492 /nfs/dbraw/zinc/64/44/92/598644492.db2.gz CGNCWBICSBREGP-JTQLQIEISA-N -1 3 374.857 3.299 20 0 FGADHM S=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CC[C@H](c2ccco2)C1 ZINC000738400257 598644494 /nfs/dbraw/zinc/64/44/94/598644494.db2.gz CGNCWBICSBREGP-JTQLQIEISA-N -1 3 374.857 3.299 20 0 FGADHM Fc1ccc(COc2c(F)c(F)c(F)c(F)c2F)c(-c2nnn[n-]2)c1 ZINC000737648235 598644674 /nfs/dbraw/zinc/64/46/74/598644674.db2.gz HRSALOWTXTYOJY-UHFFFAOYSA-N -1 3 360.217 3.280 20 0 FGADHM Fc1ccc(COc2c(F)c(F)c(F)c(F)c2F)c(-c2nn[n-]n2)c1 ZINC000737648235 598644675 /nfs/dbraw/zinc/64/46/75/598644675.db2.gz HRSALOWTXTYOJY-UHFFFAOYSA-N -1 3 360.217 3.280 20 0 FGADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)N1CCCCCCC1 ZINC000737831651 598647584 /nfs/dbraw/zinc/64/75/84/598647584.db2.gz CFDMNJGFSZBHBD-UHFFFAOYSA-N -1 3 357.458 3.209 20 0 FGADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)N1CCCCCCC1 ZINC000737831651 598647585 /nfs/dbraw/zinc/64/75/85/598647585.db2.gz CFDMNJGFSZBHBD-UHFFFAOYSA-N -1 3 357.458 3.209 20 0 FGADHM C[C@@H]1CCC[C@@H](C)C1NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736244116 598649786 /nfs/dbraw/zinc/64/97/86/598649786.db2.gz DYUQDRUQUAAHSQ-HUUCEWRRSA-N -1 3 371.485 3.357 20 0 FGADHM C[C@@H]1CCC[C@@H](C)C1NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736244116 598649788 /nfs/dbraw/zinc/64/97/88/598649788.db2.gz DYUQDRUQUAAHSQ-HUUCEWRRSA-N -1 3 371.485 3.357 20 0 FGADHM CCCCN(C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000736450979 598651758 /nfs/dbraw/zinc/65/17/58/598651758.db2.gz DLEUBUDVTIVXGL-UHFFFAOYSA-N -1 3 357.458 3.207 20 0 FGADHM CCCCN(C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000736450979 598651759 /nfs/dbraw/zinc/65/17/59/598651759.db2.gz DLEUBUDVTIVXGL-UHFFFAOYSA-N -1 3 357.458 3.207 20 0 FGADHM C[C@H]1CN(C(=O)CSc2ccc(-c3nnn[n-]3)cc2)c2ccccc21 ZINC000736281520 598653454 /nfs/dbraw/zinc/65/34/54/598653454.db2.gz SYOADGSSQKXBRD-LBPRGKRZSA-N -1 3 351.435 3.109 20 0 FGADHM C[C@H]1CN(C(=O)CSc2ccc(-c3nn[n-]n3)cc2)c2ccccc21 ZINC000736281520 598653456 /nfs/dbraw/zinc/65/34/56/598653456.db2.gz SYOADGSSQKXBRD-LBPRGKRZSA-N -1 3 351.435 3.109 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C=C(C)c1cccc(F)c1 ZINC000736634823 598654545 /nfs/dbraw/zinc/65/45/45/598654545.db2.gz JMABUWZHDZGDAG-XFXZXTDPSA-N -1 3 367.384 3.447 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C=C(C)c1cccc(F)c1 ZINC000736634823 598654547 /nfs/dbraw/zinc/65/45/47/598654547.db2.gz JMABUWZHDZGDAG-XFXZXTDPSA-N -1 3 367.384 3.447 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C=C(C)c1cccc(F)c1 ZINC000737057060 598656473 /nfs/dbraw/zinc/65/64/73/598656473.db2.gz GHKFAYIUXRKOBL-FLIBITNWSA-N -1 3 353.357 3.056 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C=C(C)c1cccc(F)c1 ZINC000737057060 598656474 /nfs/dbraw/zinc/65/64/74/598656474.db2.gz GHKFAYIUXRKOBL-FLIBITNWSA-N -1 3 353.357 3.056 20 0 FGADHM CC(C)(Cc1ccccc1Cl)NC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000735670532 598659695 /nfs/dbraw/zinc/65/96/95/598659695.db2.gz AOSXXXDFBQEAPB-UHFFFAOYSA-N -1 3 369.856 3.200 20 0 FGADHM CC(C)(Cc1ccccc1Cl)NC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000735670532 598659696 /nfs/dbraw/zinc/65/96/96/598659696.db2.gz AOSXXXDFBQEAPB-UHFFFAOYSA-N -1 3 369.856 3.200 20 0 FGADHM O=C(Nc1ccc(OCc2cccnc2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738171114 598662972 /nfs/dbraw/zinc/66/29/72/598662972.db2.gz BMSIPITVJHCBME-UHFFFAOYSA-N -1 3 372.388 3.093 20 0 FGADHM O=C(Nc1ccc(OCc2cccnc2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738171114 598662973 /nfs/dbraw/zinc/66/29/73/598662973.db2.gz BMSIPITVJHCBME-UHFFFAOYSA-N -1 3 372.388 3.093 20 0 FGADHM C[C@@H](CSc1ccccc1)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000736049289 598664356 /nfs/dbraw/zinc/66/43/56/598664356.db2.gz ZPNYZBOVFDOMDM-LBPRGKRZSA-N -1 3 371.441 3.050 20 0 FGADHM C[C@@H](CSc1ccccc1)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000736049289 598664358 /nfs/dbraw/zinc/66/43/58/598664358.db2.gz ZPNYZBOVFDOMDM-LBPRGKRZSA-N -1 3 371.441 3.050 20 0 FGADHM CC[C@H](C)CN(C)C(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000736323756 598666602 /nfs/dbraw/zinc/66/66/02/598666602.db2.gz YMVXUBOBFQSHLD-ZDUSSCGKSA-N -1 3 369.425 3.157 20 0 FGADHM CC[C@H](C)CN(C)C(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000736323756 598666604 /nfs/dbraw/zinc/66/66/04/598666604.db2.gz YMVXUBOBFQSHLD-ZDUSSCGKSA-N -1 3 369.425 3.157 20 0 FGADHM Clc1cc(NCc2ccccc2-n2cccn2)ccc1-c1nnn[n-]1 ZINC000737564970 598666685 /nfs/dbraw/zinc/66/66/85/598666685.db2.gz LPQSPYHGQFHEEH-UHFFFAOYSA-N -1 3 351.801 3.318 20 0 FGADHM Clc1cc(NCc2ccccc2-n2cccn2)ccc1-c1nn[n-]n1 ZINC000737564970 598666687 /nfs/dbraw/zinc/66/66/87/598666687.db2.gz LPQSPYHGQFHEEH-UHFFFAOYSA-N -1 3 351.801 3.318 20 0 FGADHM CC[C@@H](C)CN(C)C(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000736322633 598666774 /nfs/dbraw/zinc/66/67/74/598666774.db2.gz MSEPJACWDRUPAD-CYBMUJFWSA-N -1 3 369.425 3.157 20 0 FGADHM CC[C@@H](C)CN(C)C(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000736322633 598666775 /nfs/dbraw/zinc/66/67/75/598666775.db2.gz MSEPJACWDRUPAD-CYBMUJFWSA-N -1 3 369.425 3.157 20 0 FGADHM Cc1nc(CNc2ccc(-c3nnn[n-]3)c(Cl)c2)nc2ccccc12 ZINC000737477523 598669658 /nfs/dbraw/zinc/66/96/58/598669658.db2.gz NRBKHVQMYJRUAC-UHFFFAOYSA-N -1 3 351.801 3.384 20 0 FGADHM Cc1nc(CNc2ccc(-c3nn[n-]n3)c(Cl)c2)nc2ccccc12 ZINC000737477523 598669660 /nfs/dbraw/zinc/66/96/60/598669660.db2.gz NRBKHVQMYJRUAC-UHFFFAOYSA-N -1 3 351.801 3.384 20 0 FGADHM O=C(Nc1ccc(Oc2ccccc2)cn1)c1cccc(-c2nnn[n-]2)c1 ZINC000738175612 598672666 /nfs/dbraw/zinc/67/26/66/598672666.db2.gz PWUXTFRJIFOZEC-UHFFFAOYSA-N -1 3 358.361 3.306 20 0 FGADHM O=C(Nc1ccc(Oc2ccccc2)cn1)c1cccc(-c2nn[n-]n2)c1 ZINC000738175612 598672667 /nfs/dbraw/zinc/67/26/67/598672667.db2.gz PWUXTFRJIFOZEC-UHFFFAOYSA-N -1 3 358.361 3.306 20 0 FGADHM COc1cccc(N2CC[C@H](Nc3ccc(-c4nnn[n-]4)c(Cl)c3)C2)c1 ZINC000737138308 598672742 /nfs/dbraw/zinc/67/27/42/598672742.db2.gz GKDCYYUZCWEANC-ZDUSSCGKSA-N -1 3 370.844 3.220 20 0 FGADHM COc1cccc(N2CC[C@H](Nc3ccc(-c4nn[n-]n4)c(Cl)c3)C2)c1 ZINC000737138308 598672744 /nfs/dbraw/zinc/67/27/44/598672744.db2.gz GKDCYYUZCWEANC-ZDUSSCGKSA-N -1 3 370.844 3.220 20 0 FGADHM CC1(C)CC(=O)c2ccc(OCc3ccc(F)cc3-c3nnn[n-]3)cc2O1 ZINC000736211557 598675900 /nfs/dbraw/zinc/67/59/00/598675900.db2.gz ORDQRLBDNSIUNC-UHFFFAOYSA-N -1 3 368.368 3.329 20 0 FGADHM CC1(C)CC(=O)c2ccc(OCc3ccc(F)cc3-c3nn[n-]n3)cc2O1 ZINC000736211557 598675901 /nfs/dbraw/zinc/67/59/01/598675901.db2.gz ORDQRLBDNSIUNC-UHFFFAOYSA-N -1 3 368.368 3.329 20 0 FGADHM Fc1ccc(CSCc2cn(-c3ccccc3)nn2)c(-c2nnn[n-]2)c1 ZINC000737649493 598696889 /nfs/dbraw/zinc/69/68/89/598696889.db2.gz OPAOHXMZQXOOPR-UHFFFAOYSA-N -1 3 367.413 3.020 20 0 FGADHM Fc1ccc(CSCc2cn(-c3ccccc3)nn2)c(-c2nn[n-]n2)c1 ZINC000737649493 598696892 /nfs/dbraw/zinc/69/68/92/598696892.db2.gz OPAOHXMZQXOOPR-UHFFFAOYSA-N -1 3 367.413 3.020 20 0 FGADHM O=C(Cc1cccc2ccccc21)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737970568 598703399 /nfs/dbraw/zinc/70/33/99/598703399.db2.gz XBUSNZQBOXTKJS-UHFFFAOYSA-N -1 3 362.364 3.445 20 0 FGADHM O=C(Cc1cccc2ccccc21)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737970568 598703401 /nfs/dbraw/zinc/70/34/01/598703401.db2.gz XBUSNZQBOXTKJS-UHFFFAOYSA-N -1 3 362.364 3.445 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)c1cnc(Cl)c(Cl)c1 ZINC000738236039 598707590 /nfs/dbraw/zinc/70/75/90/598707590.db2.gz QDMNKQKZROASLP-UHFFFAOYSA-N -1 3 368.155 3.065 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)c1cnc(Cl)c(Cl)c1 ZINC000738236039 598707591 /nfs/dbraw/zinc/70/75/91/598707591.db2.gz QDMNKQKZROASLP-UHFFFAOYSA-N -1 3 368.155 3.065 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000738233041 598708570 /nfs/dbraw/zinc/70/85/70/598708570.db2.gz ZSTLWAAWSQDBKN-ONGXEEELSA-N -1 3 372.322 3.418 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000738233041 598708571 /nfs/dbraw/zinc/70/85/71/598708571.db2.gz ZSTLWAAWSQDBKN-ONGXEEELSA-N -1 3 372.322 3.418 20 0 FGADHM CCCc1nc(Cn2ccc(-c3ccc(-c4nnn[n-]4)cc3)n2)cs1 ZINC000736496032 598722717 /nfs/dbraw/zinc/72/27/17/598722717.db2.gz YALXXPXWJJYVJX-UHFFFAOYSA-N -1 3 351.439 3.188 20 0 FGADHM CCCc1nc(Cn2ccc(-c3ccc(-c4nn[n-]n4)cc3)n2)cs1 ZINC000736496032 598722718 /nfs/dbraw/zinc/72/27/18/598722718.db2.gz YALXXPXWJJYVJX-UHFFFAOYSA-N -1 3 351.439 3.188 20 0 FGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)N1CCCC2(CCCCC2)C1 ZINC000738101040 598733017 /nfs/dbraw/zinc/73/30/17/598733017.db2.gz WPWHJBGBHIPZMH-UHFFFAOYSA-N -1 3 372.448 3.262 20 0 FGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)N1CCCC2(CCCCC2)C1 ZINC000738101040 598733018 /nfs/dbraw/zinc/73/30/18/598733018.db2.gz WPWHJBGBHIPZMH-UHFFFAOYSA-N -1 3 372.448 3.262 20 0 FGADHM Cc1cccc2[nH]cc(CC(=O)Nc3ccc(-c4nnn[n-]4)c(Cl)c3)c21 ZINC000737407768 598735164 /nfs/dbraw/zinc/73/51/64/598735164.db2.gz GDWCLSJOMOTUOC-UHFFFAOYSA-N -1 3 366.812 3.491 20 0 FGADHM Cc1cccc2[nH]cc(CC(=O)Nc3ccc(-c4nn[n-]n4)c(Cl)c3)c21 ZINC000737407768 598735166 /nfs/dbraw/zinc/73/51/66/598735166.db2.gz GDWCLSJOMOTUOC-UHFFFAOYSA-N -1 3 366.812 3.491 20 0 FGADHM O=C(C1CCCCCC1)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737783932 598746284 /nfs/dbraw/zinc/74/62/84/598746284.db2.gz KVAFMQVSJRANGO-UHFFFAOYSA-N -1 3 369.469 3.207 20 0 FGADHM CC(C)c1ccsc1C(=O)OCC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824352852 607366425 /nfs/dbraw/zinc/36/64/25/607366425.db2.gz PWHPHSUQIQREAZ-UHFFFAOYSA-N -1 3 356.407 3.091 20 0 FGADHM CC(C)c1ccsc1C(=O)OCC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824352852 607366427 /nfs/dbraw/zinc/36/64/27/607366427.db2.gz PWHPHSUQIQREAZ-UHFFFAOYSA-N -1 3 356.407 3.091 20 0 FGADHM CCC(=CC(=O)OCCOc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000736304839 598780137 /nfs/dbraw/zinc/78/01/37/598780137.db2.gz REUIZIHWOUDXOV-CCEZHUSRSA-N -1 3 364.405 3.282 20 0 FGADHM CCC(=CC(=O)OCCOc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000736304839 598780138 /nfs/dbraw/zinc/78/01/38/598780138.db2.gz REUIZIHWOUDXOV-CCEZHUSRSA-N -1 3 364.405 3.282 20 0 FGADHM CC(C)N(Cc1ccccc1F)C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000735874190 598783039 /nfs/dbraw/zinc/78/30/39/598783039.db2.gz OGRQKNYMYDTBFK-UHFFFAOYSA-N -1 3 368.416 3.126 20 0 FGADHM CC(C)N(Cc1ccccc1F)C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000735874190 598783040 /nfs/dbraw/zinc/78/30/40/598783040.db2.gz OGRQKNYMYDTBFK-UHFFFAOYSA-N -1 3 368.416 3.126 20 0 FGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)CO[C@@H]1CCC[C@@H](C)C1 ZINC000736263778 598789876 /nfs/dbraw/zinc/78/98/76/598789876.db2.gz SDZPATSSMQRJAA-CRAIPNDOSA-N -1 3 371.485 3.199 20 0 FGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)CO[C@@H]1CCC[C@@H](C)C1 ZINC000736263778 598789877 /nfs/dbraw/zinc/78/98/77/598789877.db2.gz SDZPATSSMQRJAA-CRAIPNDOSA-N -1 3 371.485 3.199 20 0 FGADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)N1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000737963848 598794540 /nfs/dbraw/zinc/79/45/40/598794540.db2.gz UIAYTXSLRJHGMV-QGZVFWFLSA-N -1 3 369.375 3.051 20 0 FGADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)N1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000737963848 598794541 /nfs/dbraw/zinc/79/45/41/598794541.db2.gz UIAYTXSLRJHGMV-QGZVFWFLSA-N -1 3 369.375 3.051 20 0 FGADHM CC(C)[C@H](c1ccccc1)N(C)C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000735736957 598801065 /nfs/dbraw/zinc/80/10/65/598801065.db2.gz XLTZORBGXQHNMW-GOSISDBHSA-N -1 3 364.453 3.405 20 0 FGADHM CC(C)[C@H](c1ccccc1)N(C)C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000735736957 598801066 /nfs/dbraw/zinc/80/10/66/598801066.db2.gz XLTZORBGXQHNMW-GOSISDBHSA-N -1 3 364.453 3.405 20 0 FGADHM CC[C@H](CC(=O)Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000736332420 598807327 /nfs/dbraw/zinc/80/73/27/598807327.db2.gz MVEIHWXFROKTIZ-CYBMUJFWSA-N -1 3 353.430 3.063 20 0 FGADHM CCN(C(=O)C[C@@H](C)n1cccc1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736501186 598808156 /nfs/dbraw/zinc/80/81/56/598808156.db2.gz AFHQOWNMKSLSBY-HUUCEWRRSA-N -1 3 352.442 3.229 20 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/nfs/dbraw/zinc/81/82/88/598818288.db2.gz NYKOXHWUQHJNNM-UHFFFAOYSA-N -1 3 370.438 3.240 20 0 FGADHM CC(C)CN(C(=O)[C@H]1COc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000735819565 598822287 /nfs/dbraw/zinc/82/22/87/598822287.db2.gz XXYFYHBUMDKCDG-KRWDZBQOSA-N -1 3 363.421 3.032 20 0 FGADHM CC(C)CN(C(=O)[C@H]1COc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000735819565 598822288 /nfs/dbraw/zinc/82/22/88/598822288.db2.gz XXYFYHBUMDKCDG-KRWDZBQOSA-N -1 3 363.421 3.032 20 0 FGADHM Cc1ccc(N(C)C(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC000737348443 598822806 /nfs/dbraw/zinc/82/28/06/598822806.db2.gz ZOAHWZHZEWVYTF-LBPRGKRZSA-N -1 3 371.828 3.259 20 0 FGADHM CC(C)(CNC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1cccc(F)c1 ZINC000735666617 599300249 /nfs/dbraw/zinc/30/02/49/599300249.db2.gz QCHRJTWGBUCXFW-KHPPLWFESA-N -1 3 365.412 3.113 20 0 FGADHM CC(C)(CNC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1cccc(F)c1 ZINC000735666617 599300252 /nfs/dbraw/zinc/30/02/52/599300252.db2.gz QCHRJTWGBUCXFW-KHPPLWFESA-N -1 3 365.412 3.113 20 0 FGADHM C[C@@H]1C[C@H]2CCCC[C@@H]2N1c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000736239147 599322087 /nfs/dbraw/zinc/32/20/87/599322087.db2.gz SVIZLGZTQMZUOC-FOGDFJRCSA-N -1 3 352.364 3.438 20 0 FGADHM C[C@@H]1C[C@H]2CCCC[C@@H]2N1c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000736239147 599322090 /nfs/dbraw/zinc/32/20/90/599322090.db2.gz SVIZLGZTQMZUOC-FOGDFJRCSA-N -1 3 352.364 3.438 20 0 FGADHM CC(C)c1cccc(S(=O)(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000820198164 599323874 /nfs/dbraw/zinc/32/38/74/599323874.db2.gz RGDYAIVZNLXDLY-CYBMUJFWSA-N -1 3 371.466 3.030 20 0 FGADHM CC(C)c1cccc(S(=O)(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000820198164 599323877 /nfs/dbraw/zinc/32/38/77/599323877.db2.gz RGDYAIVZNLXDLY-CYBMUJFWSA-N -1 3 371.466 3.030 20 0 FGADHM CC(=O)Nc1nc(CS[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000735489227 599327483 /nfs/dbraw/zinc/32/74/83/599327483.db2.gz XJOKMHWKRFPZLH-VIFPVBQESA-N -1 3 360.468 3.276 20 0 FGADHM CC(=O)Nc1nc(CS[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000735489227 599327486 /nfs/dbraw/zinc/32/74/86/599327486.db2.gz XJOKMHWKRFPZLH-VIFPVBQESA-N -1 3 360.468 3.276 20 0 FGADHM FC(F)(F)Cc1cccc(NCCOc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737626047 599332853 /nfs/dbraw/zinc/33/28/53/599332853.db2.gz GXKSURXAHNVWIM-UHFFFAOYSA-N -1 3 363.343 3.462 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1CNc1ccccc1OC(F)(F)F ZINC000821736706 607369518 /nfs/dbraw/zinc/36/95/18/607369518.db2.gz MSVMZAGQYLIMJS-UHFFFAOYSA-N -1 3 365.315 3.386 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1CNc1ccccc1OC(F)(F)F ZINC000821736706 607369520 /nfs/dbraw/zinc/36/95/20/607369520.db2.gz MSVMZAGQYLIMJS-UHFFFAOYSA-N -1 3 365.315 3.386 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NC[C@H]1CCCO[C@H]1C(C)(C)C ZINC000737294018 599339051 /nfs/dbraw/zinc/33/90/51/599339051.db2.gz JPLQSPANWCMDNE-GDBMZVCRSA-N -1 3 372.473 3.138 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NC[C@H]1CCCO[C@H]1C(C)(C)C ZINC000737294018 599339053 /nfs/dbraw/zinc/33/90/53/599339053.db2.gz JPLQSPANWCMDNE-GDBMZVCRSA-N -1 3 372.473 3.138 20 0 FGADHM Cc1ccccc1C[C@H](C)NC(=O)CSc1ccccc1-c1nnn[n-]1 ZINC000822356178 599343027 /nfs/dbraw/zinc/34/30/27/599343027.db2.gz LQFDXAFNKLRQPI-AWEZNQCLSA-N -1 3 367.478 3.015 20 0 FGADHM Cc1ccccc1C[C@H](C)NC(=O)CSc1ccccc1-c1nn[n-]n1 ZINC000822356178 599343030 /nfs/dbraw/zinc/34/30/30/599343030.db2.gz LQFDXAFNKLRQPI-AWEZNQCLSA-N -1 3 367.478 3.015 20 0 FGADHM C[C@@H]1CCc2ccccc2N1C(=O)CSc1ccccc1-c1nnn[n-]1 ZINC000820733672 599349652 /nfs/dbraw/zinc/34/96/52/599349652.db2.gz IAKKISILQPFRJF-CYBMUJFWSA-N -1 3 365.462 3.327 20 0 FGADHM C[C@@H]1CCc2ccccc2N1C(=O)CSc1ccccc1-c1nn[n-]n1 ZINC000820733672 599349654 /nfs/dbraw/zinc/34/96/54/599349654.db2.gz IAKKISILQPFRJF-CYBMUJFWSA-N -1 3 365.462 3.327 20 0 FGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)Nc1cnn(C(C)C)c1 ZINC000735905166 599351386 /nfs/dbraw/zinc/35/13/86/599351386.db2.gz GCNZFIKAWSYCPI-UHFFFAOYSA-N -1 3 370.417 3.075 20 0 FGADHM OCC[C@@H](Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)C1CCCCC1 ZINC000738395087 599351443 /nfs/dbraw/zinc/35/14/43/599351443.db2.gz VVCDNMTZDGZSLN-GFCCVEGCSA-N -1 3 370.379 3.024 20 0 FGADHM OCC[C@@H](Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)C1CCCCC1 ZINC000738395087 599351445 /nfs/dbraw/zinc/35/14/45/599351445.db2.gz VVCDNMTZDGZSLN-GFCCVEGCSA-N -1 3 370.379 3.024 20 0 FGADHM COC(=O)N(C)Cc1ccc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821663515 599378689 /nfs/dbraw/zinc/37/86/89/599378689.db2.gz AZWHQYLXVANTFS-CYBMUJFWSA-N -1 3 366.425 3.238 20 0 FGADHM COC(=O)N(C)Cc1ccc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821663515 599378693 /nfs/dbraw/zinc/37/86/93/599378693.db2.gz AZWHQYLXVANTFS-CYBMUJFWSA-N -1 3 366.425 3.238 20 0 FGADHM COC(=O)[C@@H](N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1cccc(Cl)c1 ZINC000821640947 599390639 /nfs/dbraw/zinc/39/06/39/599390639.db2.gz SJIGCPANNZXOAR-ZBEGNZNMSA-N -1 3 371.828 3.085 20 0 FGADHM COC(=O)[C@@H](N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1cccc(Cl)c1 ZINC000821640947 599390642 /nfs/dbraw/zinc/39/06/42/599390642.db2.gz SJIGCPANNZXOAR-ZBEGNZNMSA-N -1 3 371.828 3.085 20 0 FGADHM CCOc1cccc2cc([C@@H](C)NCc3ccc(-c4nnn[n-]4)o3)oc21 ZINC000821430994 599395878 /nfs/dbraw/zinc/39/58/78/599395878.db2.gz JQOWYLCXNOIYGW-LLVKDONJSA-N -1 3 353.382 3.455 20 0 FGADHM CCOc1cccc2cc([C@@H](C)NCc3ccc(-c4nn[n-]n4)o3)oc21 ZINC000821430994 599395880 /nfs/dbraw/zinc/39/58/80/599395880.db2.gz JQOWYLCXNOIYGW-LLVKDONJSA-N -1 3 353.382 3.455 20 0 FGADHM Fc1ccc(Oc2ccc(CNCc3ccc(-c4nnn[n-]4)o3)cn2)cc1 ZINC000822783139 599407499 /nfs/dbraw/zinc/40/74/99/599407499.db2.gz XCKDCZXMFGYHRJ-UHFFFAOYSA-N -1 3 366.356 3.076 20 0 FGADHM Fc1ccc(Oc2ccc(CNCc3ccc(-c4nn[n-]n4)o3)cn2)cc1 ZINC000822783139 599407500 /nfs/dbraw/zinc/40/75/00/599407500.db2.gz XCKDCZXMFGYHRJ-UHFFFAOYSA-N -1 3 366.356 3.076 20 0 FGADHM C[C@H](NC(=O)N1C[C@@H](C)[C@H]1c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820341320 599419734 /nfs/dbraw/zinc/41/97/34/599419734.db2.gz PZJGLJFSEBVVOR-GLJUWKHASA-N -1 3 362.437 3.330 20 0 FGADHM C[C@H](NC(=O)N1C[C@@H](C)[C@H]1c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820341320 599419737 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/nfs/dbraw/zinc/43/65/64/599436564.db2.gz XKUAENHGTAQHTR-CYBMUJFWSA-N -1 3 358.405 3.393 20 0 FGADHM c1ccc2c(c1)nc(NC[C@H]1CCOc3ccccc31)cc2-c1nn[n-]n1 ZINC000738443532 599436567 /nfs/dbraw/zinc/43/65/67/599436567.db2.gz XKUAENHGTAQHTR-CYBMUJFWSA-N -1 3 358.405 3.393 20 0 FGADHM C[C@H](NC(=O)NCC[C@@H]1CCCC[C@H]1C)c1cccc(-c2nnn[n-]2)c1 ZINC000820366325 599441997 /nfs/dbraw/zinc/44/19/97/599441997.db2.gz NBKGOHBFRAMURT-ILXRZTDVSA-N -1 3 356.474 3.443 20 0 FGADHM C[C@H](NC(=O)NCC[C@@H]1CCCC[C@H]1C)c1cccc(-c2nn[n-]n2)c1 ZINC000820366325 599441998 /nfs/dbraw/zinc/44/19/98/599441998.db2.gz NBKGOHBFRAMURT-ILXRZTDVSA-N -1 3 356.474 3.443 20 0 FGADHM C[C@H]1CCCC[C@@H]1CCNC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000820696865 599442137 /nfs/dbraw/zinc/44/21/37/599442137.db2.gz COHPDMCHNFIDSE-QWHCGFSZSA-N -1 3 360.437 3.021 20 0 FGADHM C[C@H]1CCCC[C@@H]1CCNC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000820696865 599442141 /nfs/dbraw/zinc/44/21/41/599442141.db2.gz COHPDMCHNFIDSE-QWHCGFSZSA-N -1 3 360.437 3.021 20 0 FGADHM C[C@@H]1CCCC[C@H]1CCNC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000820696864 599442296 /nfs/dbraw/zinc/44/22/96/599442296.db2.gz COHPDMCHNFIDSE-OLZOCXBDSA-N -1 3 360.437 3.021 20 0 FGADHM C[C@@H]1CCCC[C@H]1CCNC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000820696864 599442298 /nfs/dbraw/zinc/44/22/98/599442298.db2.gz COHPDMCHNFIDSE-OLZOCXBDSA-N -1 3 360.437 3.021 20 0 FGADHM C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736055562 599467756 /nfs/dbraw/zinc/46/77/56/599467756.db2.gz HBZXFXDXUIGLNH-CYBMUJFWSA-N -1 3 369.856 3.152 20 0 FGADHM C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736055562 599467757 /nfs/dbraw/zinc/46/77/57/599467757.db2.gz HBZXFXDXUIGLNH-CYBMUJFWSA-N -1 3 369.856 3.152 20 0 FGADHM COc1ccc(CNc2ccc(F)cc2-c2nnn[n-]2)cc1OC(F)F ZINC000821821135 599471771 /nfs/dbraw/zinc/47/17/71/599471771.db2.gz AAYCIQQPDIPFKI-UHFFFAOYSA-N -1 3 365.315 3.228 20 0 FGADHM COc1ccc(CNc2ccc(F)cc2-c2nn[n-]n2)cc1OC(F)F ZINC000821821135 599471772 /nfs/dbraw/zinc/47/17/72/599471772.db2.gz AAYCIQQPDIPFKI-UHFFFAOYSA-N -1 3 365.315 3.228 20 0 FGADHM CC[C@@H](CNC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000820908277 599476639 /nfs/dbraw/zinc/47/66/39/599476639.db2.gz JXNNOOOZGMKBCM-CABCVRRESA-N -1 3 364.453 3.421 20 0 FGADHM CC[C@@H](CNC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000820908277 599476641 /nfs/dbraw/zinc/47/66/41/599476641.db2.gz JXNNOOOZGMKBCM-CABCVRRESA-N -1 3 364.453 3.421 20 0 FGADHM C[C@@H](NC(=O)N1CCC[C@H]1c1ccco1)c1cccc(-c2nnn[n-]2)c1 ZINC000820353032 599478501 /nfs/dbraw/zinc/47/85/01/599478501.db2.gz XHKNDUIKYFKDPK-DOMZBBRYSA-N -1 3 352.398 3.067 20 0 FGADHM C[C@@H](NC(=O)N1CCC[C@H]1c1ccco1)c1cccc(-c2nn[n-]n2)c1 ZINC000820353032 599478504 /nfs/dbraw/zinc/47/85/04/599478504.db2.gz XHKNDUIKYFKDPK-DOMZBBRYSA-N -1 3 352.398 3.067 20 0 FGADHM Fc1ccc(C2(CNc3c(-c4nnn[n-]4)cnc4ccccc43)CC2)cc1 ZINC000822767174 599481975 /nfs/dbraw/zinc/48/19/75/599481975.db2.gz YVEQDISGYPPLMM-UHFFFAOYSA-N -1 3 360.396 3.120 20 0 FGADHM Fc1ccc(C2(CNc3c(-c4nn[n-]n4)cnc4ccccc43)CC2)cc1 ZINC000822767174 599481976 /nfs/dbraw/zinc/48/19/76/599481976.db2.gz YVEQDISGYPPLMM-UHFFFAOYSA-N -1 3 360.396 3.120 20 0 FGADHM CN(C[C@@H]1CCCCO1)c1c(-c2nnn[n-]2)cnc2ccc(Cl)cc21 ZINC000821596525 599489744 /nfs/dbraw/zinc/48/97/44/599489744.db2.gz MQUKYJXAISFARG-LBPRGKRZSA-N -1 3 358.833 3.074 20 0 FGADHM CN(C[C@@H]1CCCCO1)c1c(-c2nn[n-]n2)cnc2ccc(Cl)cc21 ZINC000821596525 599489747 /nfs/dbraw/zinc/48/97/47/599489747.db2.gz MQUKYJXAISFARG-LBPRGKRZSA-N -1 3 358.833 3.074 20 0 FGADHM C[C@H](CNc1c(-c2nnn[n-]2)cnc2ccccc21)COCc1ccccc1 ZINC000820275048 599489837 /nfs/dbraw/zinc/48/98/37/599489837.db2.gz MVMHLDFJXZWNCQ-OAHLLOKOSA-N -1 3 374.448 3.102 20 0 FGADHM C[C@H](CNc1c(-c2nn[n-]n2)cnc2ccccc21)COCc1ccccc1 ZINC000820275048 599489840 /nfs/dbraw/zinc/48/98/40/599489840.db2.gz MVMHLDFJXZWNCQ-OAHLLOKOSA-N -1 3 374.448 3.102 20 0 FGADHM FC(F)n1ccnc1CNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000822736609 599501624 /nfs/dbraw/zinc/50/16/24/599501624.db2.gz ILJUESXFGGMGJG-UHFFFAOYSA-N -1 3 359.262 3.089 20 0 FGADHM FC(F)n1ccnc1CNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000822736609 599501625 /nfs/dbraw/zinc/50/16/25/599501625.db2.gz ILJUESXFGGMGJG-UHFFFAOYSA-N -1 3 359.262 3.089 20 0 FGADHM C[C@H](NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1cccc(-c2nnn[n-]2)c1 ZINC000820389938 599504764 /nfs/dbraw/zinc/50/47/64/599504764.db2.gz CFMMKIFUSWLDFD-JTQLQIEISA-N -1 3 366.812 3.492 20 0 FGADHM C[C@H](NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1cccc(-c2nn[n-]n2)c1 ZINC000820389938 599504767 /nfs/dbraw/zinc/50/47/67/599504767.db2.gz CFMMKIFUSWLDFD-JTQLQIEISA-N -1 3 366.812 3.492 20 0 FGADHM C[C@@H](NC(=O)C=Cc1ccccc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000820321601 599506312 /nfs/dbraw/zinc/50/63/12/599506312.db2.gz JGNFXHYIPPZKED-ZWLSGLHFSA-N -1 3 353.813 3.411 20 0 FGADHM C[C@@H](NC(=O)C=Cc1ccccc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000820321601 599506315 /nfs/dbraw/zinc/50/63/15/599506315.db2.gz JGNFXHYIPPZKED-ZWLSGLHFSA-N -1 3 353.813 3.411 20 0 FGADHM CC(C)(C)c1cn2c(n1)CC[C@H](Nc1c(F)cc(-c3nn[n-]n3)cc1F)C2 ZINC000819957510 599510338 /nfs/dbraw/zinc/51/03/38/599510338.db2.gz AMZYZMVTMAVBCD-NSHDSACASA-N -1 3 373.411 3.066 20 0 FGADHM C[C@H](NC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820321189 599516157 /nfs/dbraw/zinc/51/61/57/599516157.db2.gz CHWMHMDPNDILKZ-BPNCWPANSA-N -1 3 367.375 3.413 20 0 FGADHM C[C@H](NC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820321189 599516159 /nfs/dbraw/zinc/51/61/59/599516159.db2.gz CHWMHMDPNDILKZ-BPNCWPANSA-N -1 3 367.375 3.413 20 0 FGADHM C[C@H](NC(=O)c1cc(Cl)nc(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820390011 599517062 /nfs/dbraw/zinc/51/70/62/599517062.db2.gz CYPZWXIQBYDCSZ-QMMMGPOBSA-N -1 3 363.208 3.060 20 0 FGADHM C[C@H](NC(=O)c1cc(Cl)nc(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820390011 599517065 /nfs/dbraw/zinc/51/70/65/599517065.db2.gz CYPZWXIQBYDCSZ-QMMMGPOBSA-N -1 3 363.208 3.060 20 0 FGADHM Cc1ncsc1CCSc1nc2c(c(C)c1-c1nnn[n-]1)CCC2 ZINC000737503566 599520937 /nfs/dbraw/zinc/52/09/37/599520937.db2.gz OHJZRUXZZHRPMZ-UHFFFAOYSA-N -1 3 358.496 3.159 20 0 FGADHM Cc1ncsc1CCSc1nc2c(c(C)c1-c1nn[n-]n1)CCC2 ZINC000737503566 599520939 /nfs/dbraw/zinc/52/09/39/599520939.db2.gz OHJZRUXZZHRPMZ-UHFFFAOYSA-N -1 3 358.496 3.159 20 0 FGADHM CC[C@@H](Sc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc(OC)cc1 ZINC000736392869 599522828 /nfs/dbraw/zinc/52/28/28/599522828.db2.gz UELRLSSUCHOCKQ-MRXNPFEDSA-N -1 3 369.450 3.385 20 0 FGADHM CC[C@@H](Sc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc(OC)cc1 ZINC000736392869 599522831 /nfs/dbraw/zinc/52/28/31/599522831.db2.gz UELRLSSUCHOCKQ-MRXNPFEDSA-N -1 3 369.450 3.385 20 0 FGADHM C[C@@H](NC(=O)CCCOc1ccccc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000820322446 599523362 /nfs/dbraw/zinc/52/33/62/599523362.db2.gz STDVPJZCGSGYAB-CYBMUJFWSA-N -1 3 369.400 3.042 20 0 FGADHM C[C@@H](NC(=O)CCCOc1ccccc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000820322446 599523364 /nfs/dbraw/zinc/52/33/64/599523364.db2.gz STDVPJZCGSGYAB-CYBMUJFWSA-N -1 3 369.400 3.042 20 0 FGADHM CC(C)OC1CCN(c2ccc(-c3nn[n-]n3)cc2C(F)(F)F)CC1 ZINC000735895295 599524528 /nfs/dbraw/zinc/52/45/28/599524528.db2.gz TWFUANNQBXGCCM-UHFFFAOYSA-N -1 3 355.364 3.279 20 0 FGADHM CN1CCN(c2ccc(-c3nn[n-]n3)cc2C(F)(F)F)Cc2ccccc21 ZINC000736868513 599525189 /nfs/dbraw/zinc/52/51/89/599525189.db2.gz SGCCPDXJFLBGHL-UHFFFAOYSA-N -1 3 374.370 3.342 20 0 FGADHM CC(=CC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1)c1cccc(F)c1 ZINC000819765954 599525466 /nfs/dbraw/zinc/52/54/66/599525466.db2.gz TURLWBKHFHWNSV-KIWPFMIBSA-N -1 3 351.385 3.287 20 0 FGADHM CC(=CC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1)c1cccc(F)c1 ZINC000819765954 599525469 /nfs/dbraw/zinc/52/54/69/599525469.db2.gz TURLWBKHFHWNSV-KIWPFMIBSA-N -1 3 351.385 3.287 20 0 FGADHM C[C@@H](NC(=O)[C@@]1(C)CCCc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820321929 599527558 /nfs/dbraw/zinc/52/75/58/599527558.db2.gz ODGYVFSBOJDSQN-SZNDQCEHSA-N -1 3 361.449 3.338 20 0 FGADHM C[C@@H](NC(=O)[C@@]1(C)CCCc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820321929 599527561 /nfs/dbraw/zinc/52/75/61/599527561.db2.gz ODGYVFSBOJDSQN-SZNDQCEHSA-N -1 3 361.449 3.338 20 0 FGADHM C[C@H](NC(=O)[C@]1(C)CCCc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820321926 599528010 /nfs/dbraw/zinc/52/80/10/599528010.db2.gz ODGYVFSBOJDSQN-LHSJRXKWSA-N -1 3 361.449 3.338 20 0 FGADHM C[C@H](NC(=O)[C@]1(C)CCCc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820321926 599528012 /nfs/dbraw/zinc/52/80/12/599528012.db2.gz ODGYVFSBOJDSQN-LHSJRXKWSA-N -1 3 361.449 3.338 20 0 FGADHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2NCc1cc(F)ccc1F ZINC000822204456 599529052 /nfs/dbraw/zinc/52/90/52/599529052.db2.gz PGFXITFJQSBECZ-UHFFFAOYSA-N -1 3 370.338 3.175 20 0 FGADHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2NCc1cc(F)ccc1F ZINC000822204456 599529055 /nfs/dbraw/zinc/52/90/55/599529055.db2.gz PGFXITFJQSBECZ-UHFFFAOYSA-N -1 3 370.338 3.175 20 0 FGADHM Cc1cc(C)n([C@H]2CCCN(c3ccc(-c4nnn[n-]4)c(Cl)c3)C2)n1 ZINC000822197517 599539048 /nfs/dbraw/zinc/53/90/48/599539048.db2.gz DLATYYGFOVZJGM-AWEZNQCLSA-N -1 3 357.849 3.175 20 0 FGADHM Cc1cc(C)n([C@H]2CCCN(c3ccc(-c4nn[n-]n4)c(Cl)c3)C2)n1 ZINC000822197517 599539051 /nfs/dbraw/zinc/53/90/51/599539051.db2.gz DLATYYGFOVZJGM-AWEZNQCLSA-N -1 3 357.849 3.175 20 0 FGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H](C)c1ccsc1 ZINC000735515034 599541519 /nfs/dbraw/zinc/54/15/19/599541519.db2.gz YEMREJNECFOBGE-CYBMUJFWSA-N -1 3 355.467 3.469 20 0 FGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H](C)c1ccsc1 ZINC000735515034 599541520 /nfs/dbraw/zinc/54/15/20/599541520.db2.gz YEMREJNECFOBGE-CYBMUJFWSA-N -1 3 355.467 3.469 20 0 FGADHM Cc1cccc(C2(C(=O)N[C@@H](C)c3cccc(-c4nnn[n-]4)c3)CCC2)c1 ZINC000822299859 599545128 /nfs/dbraw/zinc/54/51/28/599545128.db2.gz XFVMYHCLLDZOEX-HNNXBMFYSA-N -1 3 361.449 3.474 20 0 FGADHM Cc1cccc(C2(C(=O)N[C@@H](C)c3cccc(-c4nn[n-]n4)c3)CCC2)c1 ZINC000822299859 599545131 /nfs/dbraw/zinc/54/51/31/599545131.db2.gz XFVMYHCLLDZOEX-HNNXBMFYSA-N -1 3 361.449 3.474 20 0 FGADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1CCC(OC(C)C)CC1 ZINC000822333176 599545516 /nfs/dbraw/zinc/54/55/16/599545516.db2.gz ZNXPVTIHSVNQQI-UHFFFAOYSA-N -1 3 352.442 3.117 20 0 FGADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N1CCC(OC(C)C)CC1 ZINC000822333176 599545518 /nfs/dbraw/zinc/54/55/18/599545518.db2.gz ZNXPVTIHSVNQQI-UHFFFAOYSA-N -1 3 352.442 3.117 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N[C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000737802046 599546704 /nfs/dbraw/zinc/54/67/04/599546704.db2.gz OLHUXMAXMHNKOR-HSDOYDEGSA-N -1 3 373.460 3.408 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N[C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000737802046 599546706 /nfs/dbraw/zinc/54/67/06/599546706.db2.gz OLHUXMAXMHNKOR-HSDOYDEGSA-N -1 3 373.460 3.408 20 0 FGADHM CCN(C(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1)C1CCC1 ZINC000736507527 599548316 /nfs/dbraw/zinc/54/83/16/599548316.db2.gz DXDVMWCIDXMIQY-UHFFFAOYSA-N -1 3 367.409 3.053 20 0 FGADHM C[C@H](NC(=O)c1cc2ccccc2cc1[O-])c1cccc(-c2nn[nH]n2)c1 ZINC000820391136 599552418 /nfs/dbraw/zinc/55/24/18/599552418.db2.gz NLZGMEBQJIDJKG-LBPRGKRZSA-N -1 3 359.389 3.217 20 0 FGADHM Cc1ccc(C[C@H](C)N(C)C(=O)CCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737335477 599553601 /nfs/dbraw/zinc/55/36/01/599553601.db2.gz UVMXDHNEAIKIOX-INIZCTEOSA-N -1 3 363.465 3.197 20 0 FGADHM Cc1ccc(C[C@H](C)N(C)C(=O)CCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737335477 599553604 /nfs/dbraw/zinc/55/36/04/599553604.db2.gz UVMXDHNEAIKIOX-INIZCTEOSA-N -1 3 363.465 3.197 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N1CC[C@H]1c1ccc(Cl)cc1 ZINC000823308680 599554251 /nfs/dbraw/zinc/55/42/51/599554251.db2.gz HYSPVGZQSAKGTA-HNNXBMFYSA-N -1 3 354.801 3.499 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N1CC[C@H]1c1ccc(Cl)cc1 ZINC000823308680 599554254 /nfs/dbraw/zinc/55/42/54/599554254.db2.gz HYSPVGZQSAKGTA-HNNXBMFYSA-N -1 3 354.801 3.499 20 0 FGADHM C[C@H]1CCN(C(=O)Nc2cccc(-c3nnn[n-]3)c2)[C@@H](c2ccco2)C1 ZINC000820716742 599557672 /nfs/dbraw/zinc/55/76/72/599557672.db2.gz KTWPMLWVOBYNPO-SWLSCSKDSA-N -1 3 352.398 3.465 20 0 FGADHM C[C@H]1CCN(C(=O)Nc2cccc(-c3nn[n-]n3)c2)[C@@H](c2ccco2)C1 ZINC000820716742 599557674 /nfs/dbraw/zinc/55/76/74/599557674.db2.gz KTWPMLWVOBYNPO-SWLSCSKDSA-N -1 3 352.398 3.465 20 0 FGADHM Cc1cc2c(cc1C)O[C@@H](C(=O)Nc1ccc(Cl)c(-c3nnn[n-]3)c1)C2 ZINC000822212757 599558303 /nfs/dbraw/zinc/55/83/03/599558303.db2.gz GHWGSTQOSACAHX-MRXNPFEDSA-N -1 3 369.812 3.079 20 0 FGADHM Cc1cc2c(cc1C)O[C@@H](C(=O)Nc1ccc(Cl)c(-c3nn[n-]n3)c1)C2 ZINC000822212757 599558306 /nfs/dbraw/zinc/55/83/06/599558306.db2.gz GHWGSTQOSACAHX-MRXNPFEDSA-N -1 3 369.812 3.079 20 0 FGADHM Cc1ccccc1-c1cnc(CN(C)Cc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000822341002 599560134 /nfs/dbraw/zinc/56/01/34/599560134.db2.gz QEDGWGVRNNYSLD-UHFFFAOYSA-N -1 3 360.421 3.462 20 0 FGADHM Cc1ccccc1-c1cnc(CN(C)Cc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822341002 599560136 /nfs/dbraw/zinc/56/01/36/599560136.db2.gz QEDGWGVRNNYSLD-UHFFFAOYSA-N -1 3 360.421 3.462 20 0 FGADHM CS[C@@H]1CCC[C@H](Nc2c(-c3nnn[n-]3)cnc3c(C)cccc32)C1 ZINC000821949149 599562403 /nfs/dbraw/zinc/56/24/03/599562403.db2.gz FNOBTGDHFYYPTM-QWHCGFSZSA-N -1 3 354.483 3.231 20 0 FGADHM CS[C@@H]1CCC[C@H](Nc2c(-c3nn[n-]n3)cnc3c(C)cccc32)C1 ZINC000821949149 599562405 /nfs/dbraw/zinc/56/24/05/599562405.db2.gz FNOBTGDHFYYPTM-QWHCGFSZSA-N -1 3 354.483 3.231 20 0 FGADHM O=C(c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)N1C[C@@H]2CCC[C@@H]21 ZINC000738274332 599574932 /nfs/dbraw/zinc/57/49/32/599574932.db2.gz RNWVKVSNFUMGSA-YJBOKZPZSA-N -1 3 361.405 3.284 20 0 FGADHM O=C(c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)N1C[C@@H]2CCC[C@@H]21 ZINC000738274332 599574934 /nfs/dbraw/zinc/57/49/34/599574934.db2.gz RNWVKVSNFUMGSA-YJBOKZPZSA-N -1 3 361.405 3.284 20 0 FGADHM C[C@@H]1c2ccc(F)cc2CCN1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000736303012 599599491 /nfs/dbraw/zinc/59/94/91/599599491.db2.gz RJUFZRAYZFHUSK-LLVKDONJSA-N -1 3 352.373 3.157 20 0 FGADHM C[C@@H]1c2ccc(F)cc2CCN1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000736303012 599599493 /nfs/dbraw/zinc/59/94/93/599599493.db2.gz RJUFZRAYZFHUSK-LLVKDONJSA-N -1 3 352.373 3.157 20 0 FGADHM CC[C@H](NC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C)c1nccs1 ZINC000736363100 599599798 /nfs/dbraw/zinc/59/97/98/599599798.db2.gz MFAIJJCRJBPVRY-NSHDSACASA-N -1 3 374.474 3.153 20 0 FGADHM CC[C@H](NC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C)c1nccs1 ZINC000736363100 599599800 /nfs/dbraw/zinc/59/98/00/599599800.db2.gz MFAIJJCRJBPVRY-NSHDSACASA-N -1 3 374.474 3.153 20 0 FGADHM CC(C)CO[C@@H]1C[C@@H](OC(=O)CCc2ccc(-c3nnn[n-]3)cc2)C1(C)C ZINC000735839576 599618998 /nfs/dbraw/zinc/61/89/98/599618998.db2.gz YZJVGGBCZKLHSW-IAGOWNOFSA-N -1 3 372.469 3.182 20 0 FGADHM CC(C)CO[C@@H]1C[C@@H](OC(=O)CCc2ccc(-c3nn[n-]n3)cc2)C1(C)C ZINC000735839576 599618999 /nfs/dbraw/zinc/61/89/99/599618999.db2.gz YZJVGGBCZKLHSW-IAGOWNOFSA-N -1 3 372.469 3.182 20 0 FGADHM CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)OCc1ccccc1-c1nnn[n-]1 ZINC000820938702 599620413 /nfs/dbraw/zinc/62/04/13/599620413.db2.gz MEEGOTNWQVLXSU-QRTARXTBSA-N -1 3 358.442 3.284 20 0 FGADHM CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)OCc1ccccc1-c1nn[n-]n1 ZINC000820938702 599620414 /nfs/dbraw/zinc/62/04/14/599620414.db2.gz MEEGOTNWQVLXSU-QRTARXTBSA-N -1 3 358.442 3.284 20 0 FGADHM O=C(COc1cc(Cl)cc(Cl)c1)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000823032467 599621175 /nfs/dbraw/zinc/62/11/75/599621175.db2.gz VPKZYFGQFVLYKR-UHFFFAOYSA-N -1 3 365.176 3.158 20 0 FGADHM O=C(COc1cc(Cl)cc(Cl)c1)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000823032467 599621176 /nfs/dbraw/zinc/62/11/76/599621176.db2.gz VPKZYFGQFVLYKR-UHFFFAOYSA-N -1 3 365.176 3.158 20 0 FGADHM Cc1cc(COC(=O)C=Cc2ccccc2-c2nnn[n-]2)c2ccccc2n1 ZINC000822201085 599623959 /nfs/dbraw/zinc/62/39/59/599623959.db2.gz QAVLELCYLCXARC-KHPPLWFESA-N -1 3 371.400 3.480 20 0 FGADHM Cc1cc(COC(=O)C=Cc2ccccc2-c2nn[n-]n2)c2ccccc2n1 ZINC000822201085 599623960 /nfs/dbraw/zinc/62/39/60/599623960.db2.gz QAVLELCYLCXARC-KHPPLWFESA-N -1 3 371.400 3.480 20 0 FGADHM CC[C@H](Cc1ccccc1)OC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000820915665 599625518 /nfs/dbraw/zinc/62/55/18/599625518.db2.gz WGEXPJZJQQFCCN-GDBMZVCRSA-N -1 3 366.421 3.199 20 0 FGADHM CC[C@H](Cc1ccccc1)OC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000820915665 599625519 /nfs/dbraw/zinc/62/55/19/599625519.db2.gz WGEXPJZJQQFCCN-GDBMZVCRSA-N -1 3 366.421 3.199 20 0 FGADHM O=C(Cc1cccs1)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000823115384 599633186 /nfs/dbraw/zinc/63/31/86/599633186.db2.gz NARFETOTNQBHRP-UHFFFAOYSA-N -1 3 353.329 3.128 20 0 FGADHM O=C(Cc1cccs1)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823115384 599633187 /nfs/dbraw/zinc/63/31/87/599633187.db2.gz NARFETOTNQBHRP-UHFFFAOYSA-N -1 3 353.329 3.128 20 0 FGADHM C[C@H](CCOc1ccccc1)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820249638 599651922 /nfs/dbraw/zinc/65/19/22/599651922.db2.gz XXCXVGHLWRURLM-HUUCEWRRSA-N -1 3 365.437 3.149 20 0 FGADHM C[C@H](CCOc1ccccc1)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820249638 599651923 /nfs/dbraw/zinc/65/19/23/599651923.db2.gz XXCXVGHLWRURLM-HUUCEWRRSA-N -1 3 365.437 3.149 20 0 FGADHM CSc1ccc(F)cc1CNC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000821982956 599653994 /nfs/dbraw/zinc/65/39/94/599653994.db2.gz BYTRGBRWFXJYBY-TWGQIWQCSA-N -1 3 369.425 3.057 20 0 FGADHM CSc1ccc(F)cc1CNC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000821982956 599653995 /nfs/dbraw/zinc/65/39/95/599653995.db2.gz BYTRGBRWFXJYBY-TWGQIWQCSA-N -1 3 369.425 3.057 20 0 FGADHM CC[C@H](CC(=O)OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)C(C)C ZINC000820882300 599660549 /nfs/dbraw/zinc/66/05/49/599660549.db2.gz ORTIXOAZKVJFPC-GFCCVEGCSA-N -1 3 370.413 3.032 20 0 FGADHM CC[C@H](CC(=O)OCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)C(C)C ZINC000820882300 599660550 /nfs/dbraw/zinc/66/05/50/599660550.db2.gz ORTIXOAZKVJFPC-GFCCVEGCSA-N -1 3 370.413 3.032 20 0 FGADHM CCCCCC[C@H](C)C(=O)O[C@@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000821048670 599665080 /nfs/dbraw/zinc/66/50/80/599665080.db2.gz FNOZNXQDKBCHQC-KBPBESRZSA-N -1 3 373.457 3.343 20 0 FGADHM CCCCCC[C@H](C)C(=O)O[C@@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000821048670 599665081 /nfs/dbraw/zinc/66/50/81/599665081.db2.gz FNOZNXQDKBCHQC-KBPBESRZSA-N -1 3 373.457 3.343 20 0 FGADHM CC(C)[C@@H](C(=O)OCCOc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000820017524 599669536 /nfs/dbraw/zinc/66/95/36/599669536.db2.gz ZDJQWRXYHZEGOY-GOSISDBHSA-N -1 3 366.421 3.229 20 0 FGADHM CC(C)[C@@H](C(=O)OCCOc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000820017524 599669537 /nfs/dbraw/zinc/66/95/37/599669537.db2.gz ZDJQWRXYHZEGOY-GOSISDBHSA-N -1 3 366.421 3.229 20 0 FGADHM CC(C)[C@H]1CCCC[C@H]1NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820359748 599674027 /nfs/dbraw/zinc/67/40/27/599674027.db2.gz VFGVTWDSKQCJKS-IAOVAPTHSA-N -1 3 356.474 3.442 20 0 FGADHM CC(C)[C@H]1CCCC[C@H]1NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820359748 599674028 /nfs/dbraw/zinc/67/40/28/599674028.db2.gz VFGVTWDSKQCJKS-IAOVAPTHSA-N -1 3 356.474 3.442 20 0 FGADHM Cc1ccccc1CN1CCCN(C(=O)c2ccccc2NC(=O)[O-])CC1 ZINC000738771043 599708607 /nfs/dbraw/zinc/70/86/07/599708607.db2.gz LWBLZBXMGXXFHL-UHFFFAOYSA-N -1 3 367.449 3.433 20 0 FGADHM C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N(C)CCc1cccc2ccccc21 ZINC000736198912 599716557 /nfs/dbraw/zinc/71/65/57/599716557.db2.gz DSROXSAETOFICS-MRXNPFEDSA-N -1 3 368.477 3.026 20 0 FGADHM Cc1[nH]c(C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)c(C)c1C(=O)[O-] ZINC000738156099 599742280 /nfs/dbraw/zinc/74/22/80/599742280.db2.gz PAKVTMHNMBAYQV-KRWDZBQOSA-N -1 3 369.465 3.287 20 0 FGADHM O=C(Nc1ccc(Cl)cc1F)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826453564 607392093 /nfs/dbraw/zinc/39/20/93/607392093.db2.gz PEQUDXPYMVFWBW-UHFFFAOYSA-N -1 3 372.791 3.470 20 0 FGADHM O=C(Nc1ccc(Cl)cc1F)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826453564 607392094 /nfs/dbraw/zinc/39/20/94/607392094.db2.gz PEQUDXPYMVFWBW-UHFFFAOYSA-N -1 3 372.791 3.470 20 0 FGADHM CC(C)Oc1ccc(NC(=O)CO[C@H]2CCCC[C@H]2C)cc1-c1nnn[n-]1 ZINC000820160052 607401352 /nfs/dbraw/zinc/40/13/52/607401352.db2.gz FHSHHAAFRDXCSR-CJNGLKHVSA-N -1 3 373.457 3.188 20 0 FGADHM CC(C)Oc1ccc(NC(=O)CO[C@H]2CCCC[C@H]2C)cc1-c1nn[n-]n1 ZINC000820160052 607401354 /nfs/dbraw/zinc/40/13/54/607401354.db2.gz FHSHHAAFRDXCSR-CJNGLKHVSA-N -1 3 373.457 3.188 20 0 FGADHM O=C([O-])Nc1ccc(CNC(=O)CN2CCC3(CCCCC3)CC2)cc1 ZINC000740025734 599853287 /nfs/dbraw/zinc/85/32/87/599853287.db2.gz VSNRHZYSFXYJFA-UHFFFAOYSA-N -1 3 359.470 3.439 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)CCc1cc(F)ccc1F ZINC000826252973 607407245 /nfs/dbraw/zinc/40/72/45/607407245.db2.gz AYISVMGTIURCNZ-UHFFFAOYSA-N -1 3 358.348 3.129 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)CCc1cc(F)ccc1F ZINC000826252973 607407247 /nfs/dbraw/zinc/40/72/47/607407247.db2.gz AYISVMGTIURCNZ-UHFFFAOYSA-N -1 3 358.348 3.129 20 0 FGADHM O=C([O-])Nc1cccc(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)c1 ZINC000740028875 599928913 /nfs/dbraw/zinc/92/89/13/599928913.db2.gz JOGQWLMLIOBOMR-SFHVURJKSA-N -1 3 353.422 3.343 20 0 FGADHM CCOCCC1(C(=O)OCc2ccc(-c3nnn[n-]3)cc2C)CCCC1 ZINC000825590053 607409003 /nfs/dbraw/zinc/40/90/03/607409003.db2.gz NXKOAPRNBFCLQO-UHFFFAOYSA-N -1 3 358.442 3.205 20 0 FGADHM CCOCCC1(C(=O)OCc2ccc(-c3nn[n-]n3)cc2C)CCCC1 ZINC000825590053 607409006 /nfs/dbraw/zinc/40/90/06/607409006.db2.gz NXKOAPRNBFCLQO-UHFFFAOYSA-N -1 3 358.442 3.205 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)c1ccc2nc(C)c(C)nc2c1 ZINC000826254477 607410316 /nfs/dbraw/zinc/41/03/16/607410316.db2.gz NFXNIDHBJSTKTF-UHFFFAOYSA-N -1 3 374.404 3.092 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)c1ccc2nc(C)c(C)nc2c1 ZINC000826254477 607410317 /nfs/dbraw/zinc/41/03/17/607410317.db2.gz NFXNIDHBJSTKTF-UHFFFAOYSA-N -1 3 374.404 3.092 20 0 FGADHM Cc1cc(NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)ccc1C(=O)[O-] ZINC000312139353 600017509 /nfs/dbraw/zinc/01/75/09/600017509.db2.gz TXFIQDLCNIEQPV-SFHVURJKSA-N -1 3 367.449 3.479 20 0 FGADHM Cc1ccccc1SCC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826308155 607415885 /nfs/dbraw/zinc/41/58/85/607415885.db2.gz LYMBVYZAKIJQFW-UHFFFAOYSA-N -1 3 365.462 3.073 20 0 FGADHM Cc1ccccc1SCC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826308155 607415886 /nfs/dbraw/zinc/41/58/86/607415886.db2.gz LYMBVYZAKIJQFW-UHFFFAOYSA-N -1 3 365.462 3.073 20 0 FGADHM COc1ccc([C@@H](NCC(=O)Nc2cccc(C(=O)[O-])c2)C(C)C)cc1 ZINC000737972124 600048445 /nfs/dbraw/zinc/04/84/45/600048445.db2.gz MULBEWQEGAAAKU-IBGZPJMESA-N -1 3 356.422 3.319 20 0 FGADHM C[C@H](c1ccc(C(=O)[O-])o1)N1CCC(n2cc(Br)cn2)CC1 ZINC000736716583 600080366 /nfs/dbraw/zinc/08/03/66/600080366.db2.gz HNBRIJXIOMUNHL-SNVBAGLBSA-N -1 3 368.231 3.335 20 0 FGADHM CC(C)c1ccc(C(=O)OCCCOc2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000820192386 607422393 /nfs/dbraw/zinc/42/23/93/607422393.db2.gz LYTMHFPAJRFOCO-UHFFFAOYSA-N -1 3 367.409 3.011 20 0 FGADHM O=C(CC/C=C/c1ccccc1)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826405550 607424922 /nfs/dbraw/zinc/42/49/22/607424922.db2.gz JZFHYYRCOXTLAN-RUDMXATFSA-N -1 3 359.433 3.466 20 0 FGADHM O=C(CC/C=C/c1ccccc1)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826405550 607424924 /nfs/dbraw/zinc/42/49/24/607424924.db2.gz JZFHYYRCOXTLAN-RUDMXATFSA-N -1 3 359.433 3.466 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccnn1[C@H](C)CC(C)C ZINC000826250786 607431171 /nfs/dbraw/zinc/43/11/71/607431171.db2.gz SGIKPMLOKOUZQV-CYBMUJFWSA-N -1 3 353.430 3.231 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccnn1[C@H](C)CC(C)C ZINC000826250786 607431172 /nfs/dbraw/zinc/43/11/72/607431172.db2.gz SGIKPMLOKOUZQV-CYBMUJFWSA-N -1 3 353.430 3.231 20 0 FGADHM Cc1cc(OCC(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)ccc1C(C)C ZINC000826271952 607432269 /nfs/dbraw/zinc/43/22/69/607432269.db2.gz OMTIKTKBNMBAAS-UHFFFAOYSA-N -1 3 365.437 3.340 20 0 FGADHM Cc1cc(OCC(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)ccc1C(C)C ZINC000826271952 607432270 /nfs/dbraw/zinc/43/22/70/607432270.db2.gz OMTIKTKBNMBAAS-UHFFFAOYSA-N -1 3 365.437 3.340 20 0 FGADHM CN(C(=O)CCSc1ccc(F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825817535 607433607 /nfs/dbraw/zinc/43/36/07/607433607.db2.gz KJHIERHVMCPDKU-UHFFFAOYSA-N -1 3 357.414 3.151 20 0 FGADHM CN(C(=O)CCSc1ccc(F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825817535 607433609 /nfs/dbraw/zinc/43/36/09/607433609.db2.gz KJHIERHVMCPDKU-UHFFFAOYSA-N -1 3 357.414 3.151 20 0 FGADHM C[C@H](CCc1ccccc1F)C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000824413903 607438265 /nfs/dbraw/zinc/43/82/65/607438265.db2.gz SABXLWQNSZEVPR-CYBMUJFWSA-N -1 3 353.401 3.238 20 0 FGADHM C[C@H](CCc1ccccc1F)C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000824413903 607438267 /nfs/dbraw/zinc/43/82/67/607438267.db2.gz SABXLWQNSZEVPR-CYBMUJFWSA-N -1 3 353.401 3.238 20 0 FGADHM CCOC(=O)c1sc2cccc(F)c2c1CN(C)C[C@@H](C)C(=O)[O-] ZINC000737156527 600372708 /nfs/dbraw/zinc/37/27/08/600372708.db2.gz KMEUHWMIFLTYRL-SNVBAGLBSA-N -1 3 353.415 3.370 20 0 FGADHM O=C([O-])[C@H](c1ccccc1)N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000738525279 600401715 /nfs/dbraw/zinc/40/17/15/600401715.db2.gz JKQYONPHVXTXPL-SFHVURJKSA-N -1 3 372.852 3.314 20 0 FGADHM CN(C(=O)COc1ccc(C(C)(C)C)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825817095 607441824 /nfs/dbraw/zinc/44/18/24/607441824.db2.gz ACJKELUIUMEOCC-UHFFFAOYSA-N -1 3 365.437 3.206 20 0 FGADHM CN(C(=O)COc1ccc(C(C)(C)C)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825817095 607441825 /nfs/dbraw/zinc/44/18/25/607441825.db2.gz ACJKELUIUMEOCC-UHFFFAOYSA-N -1 3 365.437 3.206 20 0 FGADHM O=C([O-])[C@@H](NCc1ccc(CN2CCOCC2)cc1)c1cccc(Cl)c1 ZINC000739501217 600418936 /nfs/dbraw/zinc/41/89/36/600418936.db2.gz UPPDEVMKOPKNRM-IBGZPJMESA-N -1 3 374.868 3.088 20 0 FGADHM O=C([O-])[C@H](NCc1ccc(C(=O)N2CCCCC2)cc1)c1ccc(F)cc1 ZINC000739499395 600420019 /nfs/dbraw/zinc/42/00/19/600420019.db2.gz JHNBLMOIIGUTAG-LJQANCHMSA-N -1 3 370.424 3.367 20 0 FGADHM CN(C(=O)c1ccc(OC(C)(C)C)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825829690 607443552 /nfs/dbraw/zinc/44/35/52/607443552.db2.gz JAHYXMNOXZHYTN-UHFFFAOYSA-N -1 3 351.410 3.321 20 0 FGADHM CN(C(=O)c1ccc(OC(C)(C)C)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825829690 607443553 /nfs/dbraw/zinc/44/35/53/607443553.db2.gz JAHYXMNOXZHYTN-UHFFFAOYSA-N -1 3 351.410 3.321 20 0 FGADHM O=C([O-])Cc1csc(NC(=O)CN[C@H](c2ccccc2)C2CCCC2)n1 ZINC000738632430 600432876 /nfs/dbraw/zinc/43/28/76/600432876.db2.gz UAMBLASUVSCDOK-GOSISDBHSA-N -1 3 373.478 3.230 20 0 FGADHM Cc1ccc2cc(C(=O)OCc3ccc(-c4nnn[n-]4)cc3C)ccc2n1 ZINC000826294805 607446205 /nfs/dbraw/zinc/44/62/05/607446205.db2.gz DGRPPKGHYIDADH-UHFFFAOYSA-N -1 3 359.389 3.389 20 0 FGADHM Cc1ccc2cc(C(=O)OCc3ccc(-c4nn[n-]n4)cc3C)ccc2n1 ZINC000826294805 607446207 /nfs/dbraw/zinc/44/62/07/607446207.db2.gz DGRPPKGHYIDADH-UHFFFAOYSA-N -1 3 359.389 3.389 20 0 FGADHM CN(C)C[C@@H](NC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1)c1ccccc1 ZINC000737362254 600516866 /nfs/dbraw/zinc/51/68/66/600516866.db2.gz YWCFHMYLYDKVBR-MRXNPFEDSA-N -1 3 361.829 3.463 20 0 FGADHM O=C([O-])c1cccc(NC(=O)NC[C@@H]2CCCN2Cc2ccccc2)c1 ZINC000390605615 600525564 /nfs/dbraw/zinc/52/55/64/600525564.db2.gz CNJMXRRPYFFCSG-SFHVURJKSA-N -1 3 353.422 3.171 20 0 FGADHM CCOc1ccc(-c2nc(COc3ccccc3-c3nnn[n-]3)co2)cc1 ZINC000821401694 607461184 /nfs/dbraw/zinc/46/11/84/607461184.db2.gz ZFLUJIJQTVZJMA-UHFFFAOYSA-N -1 3 363.377 3.499 20 0 FGADHM CCOc1ccc(-c2nc(COc3ccccc3-c3nn[n-]n3)co2)cc1 ZINC000821401694 607461186 /nfs/dbraw/zinc/46/11/86/607461186.db2.gz ZFLUJIJQTVZJMA-UHFFFAOYSA-N -1 3 363.377 3.499 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccc2cn(C(C)C)nc2c1 ZINC000826250009 607462062 /nfs/dbraw/zinc/46/20/62/607462062.db2.gz FZLGMSJGBARVAW-UHFFFAOYSA-N -1 3 361.409 3.358 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccc2cn(C(C)C)nc2c1 ZINC000826250009 607462064 /nfs/dbraw/zinc/46/20/64/607462064.db2.gz FZLGMSJGBARVAW-UHFFFAOYSA-N -1 3 361.409 3.358 20 0 FGADHM Cc1cc(C)cc(-c2cc(NC(=O)c3ccc(-c4nnn[n-]4)cc3C)n[nH]2)c1 ZINC000826263837 607462178 /nfs/dbraw/zinc/46/21/78/607462178.db2.gz SGWXCYSEQINRFU-UHFFFAOYSA-N -1 3 373.420 3.434 20 0 FGADHM Cc1cc(C)cc(-c2cc(NC(=O)c3ccc(-c4nn[n-]n4)cc3C)n[nH]2)c1 ZINC000826263837 607462180 /nfs/dbraw/zinc/46/21/80/607462180.db2.gz SGWXCYSEQINRFU-UHFFFAOYSA-N -1 3 373.420 3.434 20 0 FGADHM O=C([O-])[C@@H](N[C@H]1CCN(c2ccc(F)cc2F)C1)c1ccccc1F ZINC000833167638 600748029 /nfs/dbraw/zinc/74/80/29/600748029.db2.gz OPQDHDHUVISQRV-SJCJKPOMSA-N -1 3 350.340 3.098 20 0 FGADHM O=C([O-])[C@H](N[C@H]1CCN(c2ccc(F)cc2F)C1)c1ccccc1F ZINC000833167640 600748179 /nfs/dbraw/zinc/74/81/79/600748179.db2.gz OPQDHDHUVISQRV-YVEFUNNKSA-N -1 3 350.340 3.098 20 0 FGADHM O[C@@H](C[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1F)c1ccc(F)cc1 ZINC000823675094 607468668 /nfs/dbraw/zinc/46/86/68/607468668.db2.gz UNZGVRRSCULJLR-YJBOKZPZSA-N -1 3 371.391 3.237 20 0 FGADHM Fc1cc(-c2nnn[n-]2)ccc1CNc1cc(F)c(N2CCCC2)c(F)c1 ZINC000822744561 607475390 /nfs/dbraw/zinc/47/53/90/607475390.db2.gz WIJPYHFXXNCWLB-UHFFFAOYSA-N -1 3 374.370 3.496 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1CNc1cc(F)c(N2CCCC2)c(F)c1 ZINC000822744561 607475392 /nfs/dbraw/zinc/47/53/92/607475392.db2.gz WIJPYHFXXNCWLB-UHFFFAOYSA-N -1 3 374.370 3.496 20 0 FGADHM Fc1cc(-c2nnn[n-]2)ccc1CNc1ccc(N2CCCC2)c(F)c1 ZINC000822743879 607475587 /nfs/dbraw/zinc/47/55/87/607475587.db2.gz HTGOOLZPYOGZNN-UHFFFAOYSA-N -1 3 356.380 3.357 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1CNc1ccc(N2CCCC2)c(F)c1 ZINC000822743879 607475589 /nfs/dbraw/zinc/47/55/89/607475589.db2.gz HTGOOLZPYOGZNN-UHFFFAOYSA-N -1 3 356.380 3.357 20 0 FGADHM O=C([O-])CN(Cc1ccc(Cl)cc1)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000739797401 600950638 /nfs/dbraw/zinc/95/06/38/600950638.db2.gz WSWOZSCVHZXVAS-KRWDZBQOSA-N -1 3 374.824 3.252 20 0 FGADHM c1ccc2sc([C@@H]3CCCN3Cc3ccnc(-c4nnn[n-]4)c3)nc2c1 ZINC000826524136 607483090 /nfs/dbraw/zinc/48/30/90/607483090.db2.gz KUDWUZIHQOFIGA-HNNXBMFYSA-N -1 3 363.450 3.209 20 0 FGADHM c1ccc2sc([C@@H]3CCCN3Cc3ccnc(-c4nn[n-]n4)c3)nc2c1 ZINC000826524136 607483091 /nfs/dbraw/zinc/48/30/91/607483091.db2.gz KUDWUZIHQOFIGA-HNNXBMFYSA-N -1 3 363.450 3.209 20 0 FGADHM Fc1cc(-c2nnn[n-]2)ccc1CNc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000822744675 607483242 /nfs/dbraw/zinc/48/32/42/607483242.db2.gz ZNGJGMPVBDGEAM-KRWDZBQOSA-N -1 3 369.400 3.176 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1CNc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000822744675 607483243 /nfs/dbraw/zinc/48/32/43/607483243.db2.gz ZNGJGMPVBDGEAM-KRWDZBQOSA-N -1 3 369.400 3.176 20 0 FGADHM CCN(C(=O)[C@H]1CCCN(Cc2ccccc2)C1)c1ncc(C(=O)[O-])s1 ZINC000737052964 601125245 /nfs/dbraw/zinc/12/52/45/601125245.db2.gz OHDFVGBJDHXGJH-HNNXBMFYSA-N -1 3 373.478 3.106 20 0 FGADHM C/C(=C\CN1CCC(N(CC2CC2)C(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC000825736466 601155955 /nfs/dbraw/zinc/15/59/55/601155955.db2.gz ZSZLXCDHRFCCLN-VGOFMYFVSA-N -1 3 352.475 3.129 20 0 FGADHM Cc1ccc(NC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3C(=O)[O-])C2)nc1 ZINC000832941600 601169838 /nfs/dbraw/zinc/16/98/38/601169838.db2.gz LNKYGMVBMSSJLQ-OAHLLOKOSA-N -1 3 371.412 3.078 20 0 FGADHM C[C@H](CSCc1ccccc1)C(=O)OCc1ccccc1-c1nnn[n-]1 ZINC000820292812 607495385 /nfs/dbraw/zinc/49/53/85/607495385.db2.gz HLRRXYPUEXAYJA-CQSZACIVSA-N -1 3 368.462 3.479 20 0 FGADHM C[C@H](CSCc1ccccc1)C(=O)OCc1ccccc1-c1nn[n-]n1 ZINC000820292812 607495386 /nfs/dbraw/zinc/49/53/86/607495386.db2.gz HLRRXYPUEXAYJA-CQSZACIVSA-N -1 3 368.462 3.479 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1CN(C)Cc1c(F)cccc1Cl ZINC000821731802 607504226 /nfs/dbraw/zinc/50/42/26/607504226.db2.gz GSJFASUNNMDIAY-UHFFFAOYSA-N -1 3 361.808 3.300 20 0 FGADHM COc1ccc(CN2CC[C@H]2c2ccc(Cl)cc2)cc1-c1nnn[n-]1 ZINC000826194430 607511964 /nfs/dbraw/zinc/51/19/64/607511964.db2.gz LQQBFMYZKKQRIX-INIZCTEOSA-N -1 3 355.829 3.476 20 0 FGADHM COc1ccc(CN2CC[C@H]2c2ccc(Cl)cc2)cc1-c1nn[n-]n1 ZINC000826194430 607511967 /nfs/dbraw/zinc/51/19/67/607511967.db2.gz LQQBFMYZKKQRIX-INIZCTEOSA-N -1 3 355.829 3.476 20 0 FGADHM C[C@H](C(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1)N1CCCCCC1 ZINC000826009264 601622537 /nfs/dbraw/zinc/62/25/37/601622537.db2.gz VCWZCFGUYSZPDJ-CJNGLKHVSA-N -1 3 352.862 3.237 20 0 FGADHM C[C@H](C(=O)[O-])[C@H](NCC(=O)NC12CC3CC(CC(C3)C1)C2)c1ccccc1 ZINC000826043964 601654048 /nfs/dbraw/zinc/65/40/48/601654048.db2.gz ADBWUJSNDUEUJE-TZUCJYLESA-N -1 3 370.493 3.123 20 0 FGADHM CN(C)CCN(Cc1cccs1)C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000830608590 601692356 /nfs/dbraw/zinc/69/23/56/601692356.db2.gz DYVNDEXWUWRRJF-UHFFFAOYSA-N -1 3 365.430 3.181 20 0 FGADHM C[C@@H]1CCC[C@H](C(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)C1 ZINC000828232149 601728644 /nfs/dbraw/zinc/72/86/44/601728644.db2.gz BKLOJYPKSZETTG-MMOPVJDHSA-N -1 3 358.482 3.048 20 0 FGADHM C/C(=C/C(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1)C(C)(C)C ZINC000825716348 601730700 /nfs/dbraw/zinc/73/07/00/601730700.db2.gz CUHZZUOGIKYBPX-XHVGKJTDSA-N -1 3 358.482 3.214 20 0 FGADHM CN(C)CCN(Cc1ccco1)C(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000830609130 601791100 /nfs/dbraw/zinc/79/11/00/601791100.db2.gz VIGRHAIQBQTUAP-UHFFFAOYSA-N -1 3 364.377 3.104 20 0 FGADHM C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)N2CCC(CCC(=O)[O-])CC2)C1 ZINC000659395358 601825342 /nfs/dbraw/zinc/82/53/42/601825342.db2.gz MGMHAKQCHSGQDK-LPHOPBHVSA-N -1 3 373.497 3.108 20 0 FGADHM C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N1CCC(CCC(=O)[O-])CC1 ZINC000662219310 601845436 /nfs/dbraw/zinc/84/54/36/601845436.db2.gz RODFWVDKMJTQJG-RWLLOJOVSA-N -1 3 362.514 3.037 20 0 FGADHM COc1ccc(CSCc2ccc3c(c2)OCCO3)cc1-c1nnn[n-]1 ZINC000826208115 607534598 /nfs/dbraw/zinc/53/45/98/607534598.db2.gz UDHHQTPWTABDAQ-UHFFFAOYSA-N -1 3 370.434 3.080 20 0 FGADHM COc1ccc(CSCc2ccc3c(c2)OCCO3)cc1-c1nn[n-]n1 ZINC000826208115 607534599 /nfs/dbraw/zinc/53/45/99/607534599.db2.gz UDHHQTPWTABDAQ-UHFFFAOYSA-N -1 3 370.434 3.080 20 0 FGADHM Cc1ccc(CNC(=O)C2CCN(Cc3ccc(C(=O)[O-])s3)CC2)cc1 ZINC000832932172 601962136 /nfs/dbraw/zinc/96/21/36/601962136.db2.gz CJFRCYJJRNPISQ-UHFFFAOYSA-N -1 3 372.490 3.283 20 0 FGADHM CN(C(=O)[O-])[C@@H]1CCCN(Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000739585815 601966433 /nfs/dbraw/zinc/96/64/33/601966433.db2.gz PVPKLFQTQXKNNE-GOSISDBHSA-N -1 3 355.438 3.235 20 0 FGADHM C[C@H](CNC(=O)OC(C)(C)C)CNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000824421761 607542370 /nfs/dbraw/zinc/54/23/70/607542370.db2.gz UYMVEZBMHLWMGI-JTQLQIEISA-N -1 3 366.853 3.093 20 0 FGADHM C[C@H](CNC(=O)OC(C)(C)C)CNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000824421761 607542372 /nfs/dbraw/zinc/54/23/72/607542372.db2.gz UYMVEZBMHLWMGI-JTQLQIEISA-N -1 3 366.853 3.093 20 0 FGADHM Cc1nn(C)c(Oc2ccccc2)c1CNC[C@H]1CCCCN1C(=O)[O-] ZINC000740247053 602097241 /nfs/dbraw/zinc/09/72/41/602097241.db2.gz UDABGGAUODMDRC-OAHLLOKOSA-N -1 3 358.442 3.143 20 0 FGADHM CCN(CCC(=O)[O-])Cn1ccc(-c2ccc(Br)cc2)n1 ZINC000829704910 602194531 /nfs/dbraw/zinc/19/45/31/602194531.db2.gz IYSZYGZDNKHLFB-UHFFFAOYSA-N -1 3 352.232 3.067 20 0 FGADHM CC(C)CONC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000824271955 607559104 /nfs/dbraw/zinc/55/91/04/607559104.db2.gz SALURNPLEADQDQ-UHFFFAOYSA-N -1 3 368.397 3.368 20 0 FGADHM C[C@@](NCc1cnc2ccccn12)(C(=O)[O-])c1cccc(Br)c1 ZINC000827741999 602326731 /nfs/dbraw/zinc/32/67/31/602326731.db2.gz ZEZPUHBDSNZNHG-KRWDZBQOSA-N -1 3 374.238 3.186 20 0 FGADHM O=C(OCC1CC=CC1)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000826462977 607562627 /nfs/dbraw/zinc/56/26/27/607562627.db2.gz PBFYINDNUQMDPC-UHFFFAOYSA-N -1 3 366.377 3.162 20 0 FGADHM O=C(OCC1CC=CC1)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000826462977 607562629 /nfs/dbraw/zinc/56/26/29/607562629.db2.gz PBFYINDNUQMDPC-UHFFFAOYSA-N -1 3 366.377 3.162 20 0 FGADHM O=C([O-])c1ccc(NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)cc1F ZINC000312184253 602378418 /nfs/dbraw/zinc/37/84/18/602378418.db2.gz YMZNELDMFOJGSB-MRXNPFEDSA-N -1 3 371.412 3.310 20 0 FGADHM CN(CC1CCN(Cc2cccc(OCC(F)(F)F)c2)CC1)C(=O)[O-] ZINC000739665047 602381634 /nfs/dbraw/zinc/38/16/34/602381634.db2.gz ISEIKVWCVXQQLB-UHFFFAOYSA-N -1 3 360.376 3.450 20 0 FGADHM C[C@H]1C[C@H](NC(=O)Nc2ccc(C(=O)[O-])c(F)c2)CN1Cc1ccccc1 ZINC000398182775 602385118 /nfs/dbraw/zinc/38/51/18/602385118.db2.gz KOYDPQQLXZNEMF-BBRMVZONSA-N -1 3 371.412 3.308 20 0 FGADHM C[C@H](CNC(=O)c1ccc(F)c(NC(=O)[O-])c1)N(C)Cc1ccccc1 ZINC000738939351 602462720 /nfs/dbraw/zinc/46/27/20/602462720.db2.gz KMLBWKNWRVKUIS-CYBMUJFWSA-N -1 3 359.401 3.166 20 0 FGADHM CCCCC[C@H]1CCCN1C(=O)NCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000825268336 607572327 /nfs/dbraw/zinc/57/23/27/607572327.db2.gz SOYJNDWXCGAKDQ-HNNXBMFYSA-N -1 3 372.473 3.130 20 0 FGADHM CCCCC[C@H]1CCCN1C(=O)NCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000825268336 607572328 /nfs/dbraw/zinc/57/23/28/607572328.db2.gz SOYJNDWXCGAKDQ-HNNXBMFYSA-N -1 3 372.473 3.130 20 0 FGADHM COc1ccc(COC(=O)c2cccc(F)c2Cl)cc1-c1nnn[n-]1 ZINC000826206054 607610978 /nfs/dbraw/zinc/61/09/78/607610978.db2.gz AMBHIGDPHMULOU-UHFFFAOYSA-N -1 3 362.748 3.025 20 0 FGADHM COc1ccc(COC(=O)c2cccc(F)c2Cl)cc1-c1nn[n-]n1 ZINC000826206054 607610980 /nfs/dbraw/zinc/61/09/80/607610980.db2.gz AMBHIGDPHMULOU-UHFFFAOYSA-N -1 3 362.748 3.025 20 0 FGADHM COc1ccc(CNC[C@H](NC(=O)[O-])c2ccccc2OC)cc1Cl ZINC000829389690 603160506 /nfs/dbraw/zinc/16/05/06/603160506.db2.gz NJGQVNYBNNVVOF-HNNXBMFYSA-N -1 3 364.829 3.456 20 0 FGADHM CCc1ncc(NC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)cn1 ZINC000825749383 607614898 /nfs/dbraw/zinc/61/48/98/607614898.db2.gz CTXMIXHEVUFLMS-UHFFFAOYSA-N -1 3 371.404 3.138 20 0 FGADHM CCc1ncc(NC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)cn1 ZINC000825749383 607614901 /nfs/dbraw/zinc/61/49/01/607614901.db2.gz CTXMIXHEVUFLMS-UHFFFAOYSA-N -1 3 371.404 3.138 20 0 FGADHM COc1ccc(CNC(=O)Nc2cccc(C)c2Cl)cc1-c1nnn[n-]1 ZINC000826200363 607620537 /nfs/dbraw/zinc/62/05/37/607620537.db2.gz LVNUEDUNNVCBSF-UHFFFAOYSA-N -1 3 372.816 3.159 20 0 FGADHM COc1ccc(CNC(=O)Nc2cccc(C)c2Cl)cc1-c1nn[n-]n1 ZINC000826200363 607620538 /nfs/dbraw/zinc/62/05/38/607620538.db2.gz LVNUEDUNNVCBSF-UHFFFAOYSA-N -1 3 372.816 3.159 20 0 FGADHM CCN(CC1CCN(C[C@@H](O)c2cccc(C(F)(F)F)c2)CC1)C(=O)[O-] ZINC000827092948 603502990 /nfs/dbraw/zinc/50/29/90/603502990.db2.gz KDJFHJPZOCGSCS-MRXNPFEDSA-N -1 3 374.403 3.451 20 0 FGADHM C[C@H](NCc1ccc(NC(=O)[O-])nc1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000825502824 603538093 /nfs/dbraw/zinc/53/80/93/603538093.db2.gz LANGQMHWNIDWPY-LBPRGKRZSA-N -1 3 369.425 3.306 20 0 FGADHM CN(C)Cc1ccc(-c2noc(Cc3ccc(NC(=O)[O-])cc3)n2)cc1 ZINC000828042667 603637110 /nfs/dbraw/zinc/63/71/10/603637110.db2.gz LNDCEEQJHVXAHG-UHFFFAOYSA-N -1 3 352.394 3.479 20 0 FGADHM c1sc(-c2ccc3c(c2)OCCO3)nc1-c1cccc(-c2nnn[n-]2)c1 ZINC000826512837 607644819 /nfs/dbraw/zinc/64/48/19/607644819.db2.gz QLFMAQJJJBKLRT-UHFFFAOYSA-N -1 3 363.402 3.428 20 0 FGADHM c1sc(-c2ccc3c(c2)OCCO3)nc1-c1cccc(-c2nn[n-]n2)c1 ZINC000826512837 607644821 /nfs/dbraw/zinc/64/48/21/607644821.db2.gz QLFMAQJJJBKLRT-UHFFFAOYSA-N -1 3 363.402 3.428 20 0 FGADHM CCc1ccc(N(CC)CC(=O)Nc2oc(C)c(C)c2-c2nnn[n-]2)cc1 ZINC000825711444 607644581 /nfs/dbraw/zinc/64/45/81/607644581.db2.gz BDUKEQWOJZGFJQ-UHFFFAOYSA-N -1 3 368.441 3.104 20 0 FGADHM C[C@@H](NCc1cccc2c1N(C(=O)[O-])CC2)c1ccc(NC(N)=O)cc1 ZINC000825502676 603861669 /nfs/dbraw/zinc/86/16/69/603861669.db2.gz JXUWJJQOCSKKCV-GFCCVEGCSA-N -1 3 354.410 3.069 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@@H](c1ccccc1)c1ccccn1 ZINC000826246991 607656489 /nfs/dbraw/zinc/65/64/89/607656489.db2.gz QSOPCSAWXUBVGL-IBGZPJMESA-N -1 3 370.416 3.090 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@@H](c1ccccc1)c1ccccn1 ZINC000826246991 607656491 /nfs/dbraw/zinc/65/64/91/607656491.db2.gz QSOPCSAWXUBVGL-IBGZPJMESA-N -1 3 370.416 3.090 20 0 FGADHM COc1ccc([C@H](C)N(C)C(=O)c2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000826188348 607656565 /nfs/dbraw/zinc/65/65/65/607656565.db2.gz UPJDJXCMKNIYOB-ZDUSSCGKSA-N -1 3 351.410 3.017 20 0 FGADHM COc1ccc([C@H](C)N(C)C(=O)c2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000826188348 607656566 /nfs/dbraw/zinc/65/65/66/607656566.db2.gz UPJDJXCMKNIYOB-ZDUSSCGKSA-N -1 3 351.410 3.017 20 0 FGADHM COc1ccc([C@H](NC(=O)c2ccc(-c3nnn[n-]3)cc2C)C2CC2)cc1 ZINC000826189593 607658132 /nfs/dbraw/zinc/65/81/32/607658132.db2.gz YYZOSUKWIJVUGI-GOSISDBHSA-N -1 3 363.421 3.065 20 0 FGADHM COc1ccc([C@H](NC(=O)c2ccc(-c3nn[n-]n3)cc2C)C2CC2)cc1 ZINC000826189593 607658134 /nfs/dbraw/zinc/65/81/34/607658134.db2.gz YYZOSUKWIJVUGI-GOSISDBHSA-N -1 3 363.421 3.065 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@H](C)c1ccccc1OC(F)F ZINC000826246657 607662090 /nfs/dbraw/zinc/66/20/90/607662090.db2.gz IOWBIMXYRWEIIH-LLVKDONJSA-N -1 3 373.363 3.268 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@H](C)c1ccccc1OC(F)F ZINC000826246657 607662092 /nfs/dbraw/zinc/66/20/92/607662092.db2.gz IOWBIMXYRWEIIH-LLVKDONJSA-N -1 3 373.363 3.268 20 0 FGADHM O=C([O-])NC[C@@H]1CCCN1Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000832572881 604079541 /nfs/dbraw/zinc/07/95/41/604079541.db2.gz IYRSKJGMSHHTJC-SFHVURJKSA-N -1 3 353.422 3.171 20 0 FGADHM CCCn1c2ccccc2nc1NC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000825356648 607679554 /nfs/dbraw/zinc/67/95/54/607679554.db2.gz CDTYEJAASRAZMI-UHFFFAOYSA-N -1 3 361.409 3.187 20 0 FGADHM CCCn1c2ccccc2nc1NC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000825356648 607679556 /nfs/dbraw/zinc/67/95/56/607679556.db2.gz CDTYEJAASRAZMI-UHFFFAOYSA-N -1 3 361.409 3.187 20 0 FGADHM O=C([O-])N1CCC[C@@H](N[C@H]2CCCOc3ccc(Br)cc32)C1 ZINC000833279273 604286759 /nfs/dbraw/zinc/28/67/59/604286759.db2.gz ZLLVYUBKEHQXRH-OCCSQVGLSA-N -1 3 369.259 3.395 20 0 FGADHM COc1ccccc1[C@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000826219106 607683000 /nfs/dbraw/zinc/68/30/00/607683000.db2.gz TUBFRVHMYPKYQD-QGZVFWFLSA-N -1 3 363.421 3.161 20 0 FGADHM COc1ccccc1[C@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000826219106 607683002 /nfs/dbraw/zinc/68/30/02/607683002.db2.gz TUBFRVHMYPKYQD-QGZVFWFLSA-N -1 3 363.421 3.161 20 0 FGADHM C/C=C(/C=C\C(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1)CC ZINC000828543481 604308929 /nfs/dbraw/zinc/30/89/29/604308929.db2.gz UYGCNZDWXLTRQC-WCNOAQCMSA-N -1 3 356.466 3.135 20 0 FGADHM O=C([O-])c1ccc(C(=O)N(CCN2CCCC2)c2ccccc2)cc1F ZINC000833309905 604320808 /nfs/dbraw/zinc/32/08/08/604320808.db2.gz IOTHLYNWCAEUQC-UHFFFAOYSA-N -1 3 356.397 3.267 20 0 FGADHM O=[S@@](Cc1ccc(-c2nnn[n-]2)cc1)[C@H]1CCc2c1cccc2Cl ZINC000826496468 607689694 /nfs/dbraw/zinc/68/96/94/607689694.db2.gz XEXBMZXHQODCGT-FYSMJZIKSA-N -1 3 358.854 3.456 20 0 FGADHM O=[S@@](Cc1ccc(-c2nn[n-]n2)cc1)[C@H]1CCc2c1cccc2Cl ZINC000826496468 607689695 /nfs/dbraw/zinc/68/96/95/607689695.db2.gz XEXBMZXHQODCGT-FYSMJZIKSA-N -1 3 358.854 3.456 20 0 FGADHM CCCCCN(Cc1ccc(F)cc1)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000825275858 607691498 /nfs/dbraw/zinc/69/14/98/607691498.db2.gz FBVKMGWKDUHAKC-UHFFFAOYSA-N -1 3 356.405 3.167 20 0 FGADHM CCCCCN(Cc1ccc(F)cc1)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000825275858 607691499 /nfs/dbraw/zinc/69/14/99/607691499.db2.gz FBVKMGWKDUHAKC-UHFFFAOYSA-N -1 3 356.405 3.167 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1C[C@H](c2ccc(F)cc2)C[C@@H]1C ZINC000826243921 607693386 /nfs/dbraw/zinc/69/33/86/607693386.db2.gz ARUZYTCVIFVFSI-XJKSGUPXSA-N -1 3 365.412 3.332 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1C[C@H](c2ccc(F)cc2)C[C@@H]1C ZINC000826243921 607693387 /nfs/dbraw/zinc/69/33/87/607693387.db2.gz ARUZYTCVIFVFSI-XJKSGUPXSA-N -1 3 365.412 3.332 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NC(C)(C)c1cccc(Cl)c1 ZINC000826245726 607694210 /nfs/dbraw/zinc/69/42/10/607694210.db2.gz GESWZWNKEPAUIA-UHFFFAOYSA-N -1 3 355.829 3.494 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NC(C)(C)c1cccc(Cl)c1 ZINC000826245726 607694212 /nfs/dbraw/zinc/69/42/12/607694212.db2.gz GESWZWNKEPAUIA-UHFFFAOYSA-N -1 3 355.829 3.494 20 0 FGADHM CCCN(Cc1c(F)cccc1Cl)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000825314221 607694793 /nfs/dbraw/zinc/69/47/93/607694793.db2.gz YQQDQZYOQTUEOG-UHFFFAOYSA-N -1 3 362.796 3.040 20 0 FGADHM CCCN(Cc1c(F)cccc1Cl)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000825314221 607694795 /nfs/dbraw/zinc/69/47/95/607694795.db2.gz YQQDQZYOQTUEOG-UHFFFAOYSA-N -1 3 362.796 3.040 20 0 FGADHM CC1CCN([C@@H](CNC(=O)N2CCC[C@@H]2CC(=O)[O-])c2ccccc2)CC1 ZINC000828285305 604498197 /nfs/dbraw/zinc/49/81/97/604498197.db2.gz MDBFLDFZJRHBEA-MOPGFXCFSA-N -1 3 373.497 3.108 20 0 FGADHM CCc1ccc([C@H](CNC(=O)Nc2cc(C(=O)[O-])cs2)N(C)C)cc1 ZINC000830236968 604500247 /nfs/dbraw/zinc/50/02/47/604500247.db2.gz FIHHJPPTYQEAMV-HNNXBMFYSA-N -1 3 361.467 3.433 20 0 FGADHM CC[C@H](CNC(=O)Nc1cc(C(=O)[O-])cs1)N1CCc2ccccc2C1 ZINC000828883786 604506526 /nfs/dbraw/zinc/50/65/26/604506526.db2.gz KTNUQUSBOXDICL-MRXNPFEDSA-N -1 3 373.478 3.405 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NC[C@@H](C)Oc1cccc(Cl)c1 ZINC000826247690 607696459 /nfs/dbraw/zinc/69/64/59/607696459.db2.gz LFQZTYJRLQOUKI-GFCCVEGCSA-N -1 3 371.828 3.026 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NC[C@@H](C)Oc1cccc(Cl)c1 ZINC000826247690 607696460 /nfs/dbraw/zinc/69/64/60/607696460.db2.gz LFQZTYJRLQOUKI-GFCCVEGCSA-N -1 3 371.828 3.026 20 0 FGADHM CC[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)cc1C)Oc1ccccc1C ZINC000825122450 607701260 /nfs/dbraw/zinc/70/12/60/607701260.db2.gz ZWFLJZCBCKONAN-MRXNPFEDSA-N -1 3 365.437 3.071 20 0 FGADHM CC[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)cc1C)Oc1ccccc1C ZINC000825122450 607701270 /nfs/dbraw/zinc/70/12/70/607701270.db2.gz ZWFLJZCBCKONAN-MRXNPFEDSA-N -1 3 365.437 3.071 20 0 FGADHM C[C@H](Oc1ccc(CN(C)C[C@H]2OCCc3ccccc32)cc1)C(=O)[O-] ZINC000833539213 604607420 /nfs/dbraw/zinc/60/74/20/604607420.db2.gz XRRRYDDIOKLWDQ-MGPUTAFESA-N -1 3 355.434 3.284 20 0 FGADHM CC(=O)Nc1ccc(CN(CCC(=O)[O-])Cc2ccc(F)c(F)c2)cc1 ZINC000833399921 604638356 /nfs/dbraw/zinc/63/83/56/604638356.db2.gz QPVZJTGLHDXOKQ-UHFFFAOYSA-N -1 3 362.376 3.400 20 0 FGADHM CC(C)(C)OC(=O)Nc1ccc(CN2CCC3(C[C@@H]3C(=O)[O-])CC2)cn1 ZINC000833444560 604652703 /nfs/dbraw/zinc/65/27/03/604652703.db2.gz FLRPGKABBDBSAU-CQSZACIVSA-N -1 3 361.442 3.115 20 0 FGADHM C[C@@H]1CN(Cc2cc(Cl)ccc2OC[C@H]2CCCO2)C[C@H]1C(=O)[O-] ZINC000833629197 604665561 /nfs/dbraw/zinc/66/55/61/604665561.db2.gz GLGLFVVBJSNWOY-DAXOMENPSA-N -1 3 353.846 3.050 20 0 FGADHM O=C([O-])c1ccccc1CCC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000079708644 604678044 /nfs/dbraw/zinc/67/80/44/604678044.db2.gz IIQDOISZYREUSP-HXUWFJFHSA-N -1 3 366.461 3.271 20 0 FGADHM O=C(OCCCCC(F)(F)F)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000826462559 607709358 /nfs/dbraw/zinc/70/93/58/607709358.db2.gz BAQJPIAWUAOOHV-UHFFFAOYSA-N -1 3 350.247 3.034 20 0 FGADHM O=C(OCCCCC(F)(F)F)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826462559 607709360 /nfs/dbraw/zinc/70/93/60/607709360.db2.gz BAQJPIAWUAOOHV-UHFFFAOYSA-N -1 3 350.247 3.034 20 0 FGADHM CC1CCC(N2CCN(C(=O)CCc3ccccc3C(=O)[O-])CC2)CC1 ZINC000833603970 604750334 /nfs/dbraw/zinc/75/03/34/604750334.db2.gz OXJRBCOCGYRZEI-UHFFFAOYSA-N -1 3 358.482 3.040 20 0 FGADHM CCn1nc(C)c([C@@H](C)NC[C@H](NC(=O)[O-])c2ccccc2OC)c1C ZINC000827716571 604759119 /nfs/dbraw/zinc/75/91/19/604759119.db2.gz BPRHSALIWLYSJU-WBMJQRKESA-N -1 3 360.458 3.188 20 0 FGADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)[C@H]2CCCN2Cc2ccccc2)C1 ZINC000679102946 604882546 /nfs/dbraw/zinc/88/25/46/604882546.db2.gz LIOXODSUHKWKJN-QZTJIDSGSA-N -1 3 358.482 3.000 20 0 FGADHM CN(C)Cc1ccc(C(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)cc1 ZINC000830620283 604903802 /nfs/dbraw/zinc/90/38/02/604903802.db2.gz SYRMVWNPLVVAMQ-UHFFFAOYSA-N -1 3 362.813 3.117 20 0 FGADHM CCN(CCN[C@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1)C(=O)[O-] ZINC000827151353 604957896 /nfs/dbraw/zinc/95/78/96/604957896.db2.gz YLSSNMKIUATZOG-CQSZACIVSA-N -1 3 368.499 3.053 20 0 FGADHM C[C@H]1[C@@H](c2ccccc2)c2ccccc2CCN1Cn1cnc(C(=O)[O-])n1 ZINC000828149640 604974496 /nfs/dbraw/zinc/97/44/96/604974496.db2.gz LTHPMCOHRBDVKV-KXBFYZLASA-N -1 3 362.433 3.013 20 0 FGADHM CCc1ccc(-c2csc(NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)n2)s1 ZINC000825700607 607731340 /nfs/dbraw/zinc/73/13/40/607731340.db2.gz MFTXWWFPTXICIC-UHFFFAOYSA-N -1 3 371.451 3.195 20 0 FGADHM CCc1ccc(-c2csc(NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)n2)s1 ZINC000825700607 607731342 /nfs/dbraw/zinc/73/13/42/607731342.db2.gz MFTXWWFPTXICIC-UHFFFAOYSA-N -1 3 371.451 3.195 20 0 FGADHM Cc1cc(C)c(-c2nnn[n-]2)c(N2CC[C@@H](Oc3ccccc3Cl)C2)n1 ZINC000826262006 607736750 /nfs/dbraw/zinc/73/67/50/607736750.db2.gz BGWLNDMMSXCZQQ-CYBMUJFWSA-N -1 3 370.844 3.190 20 0 FGADHM Cc1cc(C)c(-c2nn[n-]n2)c(N2CC[C@@H](Oc3ccccc3Cl)C2)n1 ZINC000826262006 607736751 /nfs/dbraw/zinc/73/67/51/607736751.db2.gz BGWLNDMMSXCZQQ-CYBMUJFWSA-N -1 3 370.844 3.190 20 0 FGADHM CC(C)(C(=O)[O-])[C@H](NCC(=O)Nc1c(F)cccc1F)c1ccccc1 ZINC000833411960 605182342 /nfs/dbraw/zinc/18/23/42/605182342.db2.gz GBHPXEHGGCEQJZ-QGZVFWFLSA-N -1 3 362.376 3.345 20 0 FGADHM C[C@H]1CN2CCCC[C@H]2CN1Cc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000833635773 605211958 /nfs/dbraw/zinc/21/19/58/605211958.db2.gz XZULCOSRNQSAMN-KSSFIOAISA-N -1 3 355.438 3.098 20 0 FGADHM CCc1oc(C(=O)[O-])cc1CN1CC[C@@](O)(Cc2cccc(Cl)c2)C1 ZINC000833679240 605215685 /nfs/dbraw/zinc/21/56/85/605215685.db2.gz WXZDNRZEWMBEHP-LJQANCHMSA-N -1 3 363.841 3.373 20 0 FGADHM CC1=C(C(=O)[O-])C[C@H](CN(C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)O1 ZINC000833578668 605322981 /nfs/dbraw/zinc/32/29/81/605322981.db2.gz VSFQDOZVGYBEIA-HPEXNQPKSA-N -1 3 372.248 3.031 20 0 FGADHM O=C([O-])N[C@@H]1CCC[C@H]2CN(Cc3ccc(Oc4ccccc4)nn3)C[C@@H]21 ZINC000834181468 605444432 /nfs/dbraw/zinc/44/44/32/605444432.db2.gz MIEGBVGXVQCZBA-JCGIZDLHSA-N -1 3 368.437 3.137 20 0 FGADHM Cc1c(NC(=O)N2CC[C@H]2c2cccc(F)c2)cccc1-c1nnn[n-]1 ZINC000826241401 607764882 /nfs/dbraw/zinc/76/48/82/607764882.db2.gz CDYHALYJNLKFOH-INIZCTEOSA-N -1 3 352.373 3.293 20 0 FGADHM Cc1c(NC(=O)N2CC[C@H]2c2cccc(F)c2)cccc1-c1nn[n-]n1 ZINC000826241401 607764883 /nfs/dbraw/zinc/76/48/83/607764883.db2.gz CDYHALYJNLKFOH-INIZCTEOSA-N -1 3 352.373 3.293 20 0 FGADHM Cc1c(NC(=O)NCCOc2ccccc2Cl)cccc1-c1nnn[n-]1 ZINC000826241786 607765013 /nfs/dbraw/zinc/76/50/13/607765013.db2.gz ORNXOXYOWSKTNW-UHFFFAOYSA-N -1 3 372.816 3.029 20 0 FGADHM Cc1c(NC(=O)NCCOc2ccccc2Cl)cccc1-c1nn[n-]n1 ZINC000826241786 607765014 /nfs/dbraw/zinc/76/50/14/607765014.db2.gz ORNXOXYOWSKTNW-UHFFFAOYSA-N -1 3 372.816 3.029 20 0 FGADHM O=C([O-])Nc1cccc(CN2CCC(NC(=O)CC3CCCC3)CC2)c1 ZINC000834269504 605788011 /nfs/dbraw/zinc/78/80/11/605788011.db2.gz WHMCKHLFTSHZOC-UHFFFAOYSA-N -1 3 359.470 3.437 20 0 FGADHM CCOc1ccccc1Oc1ccc(CN[C@@H]2CCN(C(=O)[O-])C2)cn1 ZINC000827466144 605837828 /nfs/dbraw/zinc/83/78/28/605837828.db2.gz XKEBMEDINGLGCG-OAHLLOKOSA-N -1 3 357.410 3.115 20 0 FGADHM Cc1ccc(C(F)(F)F)cc1NC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000822230782 606031781 /nfs/dbraw/zinc/03/17/81/606031781.db2.gz QHOQTOOQSYZPQR-UHFFFAOYSA-N -1 3 361.327 3.375 20 0 FGADHM Cc1ccc(C(F)(F)F)cc1NC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000822230782 606031787 /nfs/dbraw/zinc/03/17/87/606031787.db2.gz QHOQTOOQSYZPQR-UHFFFAOYSA-N -1 3 361.327 3.375 20 0 FGADHM CC[C@@H]1CN(c2nnc(C)c(C)c2-c2nnn[n-]2)CC[C@@H]1c1ccccc1 ZINC000820994113 606038639 /nfs/dbraw/zinc/03/86/39/606038639.db2.gz DTKUVUNVHDBQJB-WBVHZDCISA-N -1 3 363.469 3.294 20 0 FGADHM CC[C@@H]1CN(c2nnc(C)c(C)c2-c2nn[n-]n2)CC[C@@H]1c1ccccc1 ZINC000820994113 606038644 /nfs/dbraw/zinc/03/86/44/606038644.db2.gz DTKUVUNVHDBQJB-WBVHZDCISA-N -1 3 363.469 3.294 20 0 FGADHM CCO[C@@H](CCNc1c(-c2nnn[n-]2)cnc2c(C)cc(F)cc21)C(C)C ZINC000821351434 606041732 /nfs/dbraw/zinc/04/17/32/606041732.db2.gz PTCZIXDEFIGRIF-INIZCTEOSA-N -1 3 372.448 3.147 20 0 FGADHM CCO[C@@H](CCNc1c(-c2nn[n-]n2)cnc2c(C)cc(F)cc21)C(C)C ZINC000821351434 606041738 /nfs/dbraw/zinc/04/17/38/606041738.db2.gz PTCZIXDEFIGRIF-INIZCTEOSA-N -1 3 372.448 3.147 20 0 FGADHM c1ccc([C@@H]2CN(c3ccc(-c4nnn[n-]4)nc3)Cc3ccccc32)cc1 ZINC000823780418 606044513 /nfs/dbraw/zinc/04/45/13/606044513.db2.gz SQSGFZWKFNEKSZ-IBGZPJMESA-N -1 3 354.417 3.414 20 0 FGADHM c1ccc([C@@H]2CN(c3ccc(-c4nn[n-]n4)nc3)Cc3ccccc32)cc1 ZINC000823780418 606044517 /nfs/dbraw/zinc/04/45/17/606044517.db2.gz SQSGFZWKFNEKSZ-IBGZPJMESA-N -1 3 354.417 3.414 20 0 FGADHM Brc1ccc2c(c1)CC[C@H]2Nc1ccc(-c2nnn[n-]2)nc1 ZINC000819688096 606052912 /nfs/dbraw/zinc/05/29/12/606052912.db2.gz DBCSLGCMXIVZIU-CYBMUJFWSA-N -1 3 357.215 3.124 20 0 FGADHM Brc1ccc2c(c1)CC[C@H]2Nc1ccc(-c2nn[n-]n2)nc1 ZINC000819688096 606052915 /nfs/dbraw/zinc/05/29/15/606052915.db2.gz DBCSLGCMXIVZIU-CYBMUJFWSA-N -1 3 357.215 3.124 20 0 FGADHM Cc1ccc(OCCCC(=O)Oc2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000822263522 606101736 /nfs/dbraw/zinc/10/17/36/606101736.db2.gz QYMLMXWHPLRWTH-UHFFFAOYSA-N -1 3 352.394 3.248 20 0 FGADHM Cc1ccc(OCCCC(=O)Oc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000822263522 606101739 /nfs/dbraw/zinc/10/17/39/606101739.db2.gz QYMLMXWHPLRWTH-UHFFFAOYSA-N -1 3 352.394 3.248 20 0 FGADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000820529316 606104334 /nfs/dbraw/zinc/10/43/34/606104334.db2.gz QKGHZVOBVTYIQE-NXNVCVFFSA-N -1 3 369.469 3.109 20 0 FGADHM O=C(OCc1cccc(OC(F)(F)F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823431258 606107546 /nfs/dbraw/zinc/10/75/46/606107546.db2.gz OCSKTPUQQVCEEL-UHFFFAOYSA-N -1 3 364.283 3.122 20 0 FGADHM O=C(OCc1cccc(OC(F)(F)F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823431258 606107549 /nfs/dbraw/zinc/10/75/49/606107549.db2.gz OCSKTPUQQVCEEL-UHFFFAOYSA-N -1 3 364.283 3.122 20 0 FGADHM Cc1cccnc1C(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@H](C)C2 ZINC000822369393 606122376 /nfs/dbraw/zinc/12/23/76/606122376.db2.gz IHZYIMYPAMPRDF-VIFPVBQESA-N -1 3 354.439 3.009 20 0 FGADHM Cc1cccnc1C(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@H](C)C2 ZINC000822369393 606122377 /nfs/dbraw/zinc/12/23/77/606122377.db2.gz IHZYIMYPAMPRDF-VIFPVBQESA-N -1 3 354.439 3.009 20 0 FGADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)[C@@H](C)C1CCCC1 ZINC000821699609 606123579 /nfs/dbraw/zinc/12/35/79/606123579.db2.gz WLVFLGPBPNDIOG-VIFPVBQESA-N -1 3 350.806 3.260 20 0 FGADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)[C@@H](C)C1CCCC1 ZINC000821699609 606123581 /nfs/dbraw/zinc/12/35/81/606123581.db2.gz WLVFLGPBPNDIOG-VIFPVBQESA-N -1 3 350.806 3.260 20 0 FGADHM CC(=Cc1ccc(F)cc1)C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000819764716 606125911 /nfs/dbraw/zinc/12/59/11/606125911.db2.gz KLAKRFSTKJQDBC-LUAWRHEFSA-N -1 3 355.348 3.211 20 0 FGADHM CC(=Cc1ccc(F)cc1)C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000819764716 606125912 /nfs/dbraw/zinc/12/59/12/606125912.db2.gz KLAKRFSTKJQDBC-LUAWRHEFSA-N -1 3 355.348 3.211 20 0 FGADHM O=C(Nc1sc(-c2ccccc2)cc1-c1nnn[n-]1)C(F)(F)C(F)F ZINC000823383493 606126536 /nfs/dbraw/zinc/12/65/36/606126536.db2.gz SNRYNDFVZVBNRZ-UHFFFAOYSA-N -1 3 371.319 3.434 20 0 FGADHM O=C(Nc1sc(-c2ccccc2)cc1-c1nn[n-]n1)C(F)(F)C(F)F ZINC000823383493 606126537 /nfs/dbraw/zinc/12/65/37/606126537.db2.gz SNRYNDFVZVBNRZ-UHFFFAOYSA-N -1 3 371.319 3.434 20 0 FGADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1CCC[C@@]2(CCCOC2)C1 ZINC000822331315 606142550 /nfs/dbraw/zinc/14/25/50/606142550.db2.gz DAPLCUNNNVZINM-HXUWFJFHSA-N -1 3 364.453 3.120 20 0 FGADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N1CCC[C@@]2(CCCOC2)C1 ZINC000822331315 606142551 /nfs/dbraw/zinc/14/25/51/606142551.db2.gz DAPLCUNNNVZINM-HXUWFJFHSA-N -1 3 364.453 3.120 20 0 FGADHM CC[C@@H](Oc1ccccc1C)C(=O)OCc1ccccc1-c1nnn[n-]1 ZINC000820939780 606148240 /nfs/dbraw/zinc/14/82/40/606148240.db2.gz YAWSIPLJWDYEHV-MRXNPFEDSA-N -1 3 352.394 3.076 20 0 FGADHM CC[C@@H](Oc1ccccc1C)C(=O)OCc1ccccc1-c1nn[n-]n1 ZINC000820939780 606148242 /nfs/dbraw/zinc/14/82/42/606148242.db2.gz YAWSIPLJWDYEHV-MRXNPFEDSA-N -1 3 352.394 3.076 20 0 FGADHM CC1(C)CCN1C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000820602038 606162778 /nfs/dbraw/zinc/16/27/78/606162778.db2.gz ZNAFZRXLMZKJSZ-UHFFFAOYSA-N -1 3 368.466 3.289 20 0 FGADHM C[C@H](OC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ncc(C(C)(C)C)o1 ZINC000820488411 606167254 /nfs/dbraw/zinc/16/72/54/606167254.db2.gz NTVJOBZSFXXONZ-VMPCVLLUSA-N -1 3 367.409 3.470 20 0 FGADHM C[C@H](OC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ncc(C(C)(C)C)o1 ZINC000820488411 606167255 /nfs/dbraw/zinc/16/72/55/606167255.db2.gz NTVJOBZSFXXONZ-VMPCVLLUSA-N -1 3 367.409 3.470 20 0 FGADHM Fc1cccc(-c2cnc(CSc3ccc(-c4nnn[n-]4)cn3)o2)c1 ZINC000822787105 606172141 /nfs/dbraw/zinc/17/21/41/606172141.db2.gz VPODMSKTGXZPIW-UHFFFAOYSA-N -1 3 354.370 3.348 20 0 FGADHM Fc1cccc(-c2cnc(CSc3ccc(-c4nn[n-]n4)cn3)o2)c1 ZINC000822787105 606172142 /nfs/dbraw/zinc/17/21/42/606172142.db2.gz VPODMSKTGXZPIW-UHFFFAOYSA-N -1 3 354.370 3.348 20 0 FGADHM CCCCc1nc(C[S@@](=O)Cc2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000821077687 606179703 /nfs/dbraw/zinc/17/97/03/606179703.db2.gz QDFZRDZFKRUGDP-DEOSSOPVSA-N -1 3 361.496 3.115 20 0 FGADHM CCCCc1nc(C[S@@](=O)Cc2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000821077687 606179704 /nfs/dbraw/zinc/17/97/04/606179704.db2.gz QDFZRDZFKRUGDP-DEOSSOPVSA-N -1 3 361.496 3.115 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N1CCSC2(CCCCC2)C1 ZINC000822927981 606188568 /nfs/dbraw/zinc/18/85/68/606188568.db2.gz CBLXTOTXWVHUGW-CMDGGOBGSA-N -1 3 369.494 3.158 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N1CCSC2(CCCCC2)C1 ZINC000822927981 606188569 /nfs/dbraw/zinc/18/85/69/606188569.db2.gz CBLXTOTXWVHUGW-CMDGGOBGSA-N -1 3 369.494 3.158 20 0 FGADHM O[C@H](C[C@@H]1CCCN1c1cccc(F)c1-c1nnn[n-]1)c1cccs1 ZINC000823672192 606200944 /nfs/dbraw/zinc/20/09/44/606200944.db2.gz CEDDIGPDVXLJEJ-SMDDNHRTSA-N -1 3 359.430 3.160 20 0 FGADHM O[C@H](C[C@@H]1CCCN1c1cccc(F)c1-c1nn[n-]n1)c1cccs1 ZINC000823672192 606200946 /nfs/dbraw/zinc/20/09/46/606200946.db2.gz CEDDIGPDVXLJEJ-SMDDNHRTSA-N -1 3 359.430 3.160 20 0 FGADHM O=C(Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1)[C@H]1C[C@@H]1C1CC1 ZINC000823355504 606227514 /nfs/dbraw/zinc/22/75/14/606227514.db2.gz DNRAFGBEDJXCDU-CVEARBPZSA-N -1 3 362.393 3.039 20 0 FGADHM O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1)[C@H]1C[C@@H]1C1CC1 ZINC000823355504 606227515 /nfs/dbraw/zinc/22/75/15/606227515.db2.gz DNRAFGBEDJXCDU-CVEARBPZSA-N -1 3 362.393 3.039 20 0 FGADHM O=C(Nc1ccncc1)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000823372401 606248935 /nfs/dbraw/zinc/24/89/35/606248935.db2.gz BINQVIFNFMVFOS-UHFFFAOYSA-N -1 3 374.429 3.087 20 0 FGADHM O=C(Nc1ccncc1)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000823372401 606248937 /nfs/dbraw/zinc/24/89/37/606248937.db2.gz BINQVIFNFMVFOS-UHFFFAOYSA-N -1 3 374.429 3.087 20 0 FGADHM CCc1ccc(-c2csc(NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)n2)s1 ZINC000821476898 606249383 /nfs/dbraw/zinc/24/93/83/606249383.db2.gz TWQSPKOPIPDULY-UHFFFAOYSA-N -1 3 371.451 3.195 20 0 FGADHM CCc1ccc(-c2csc(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)n2)s1 ZINC000821476898 606249385 /nfs/dbraw/zinc/24/93/85/606249385.db2.gz TWQSPKOPIPDULY-UHFFFAOYSA-N -1 3 371.451 3.195 20 0 FGADHM O=C(NCC1CC1)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000823175323 606251556 /nfs/dbraw/zinc/25/15/56/606251556.db2.gz FQUZCHTZLLIXEJ-UHFFFAOYSA-N -1 3 351.435 3.158 20 0 FGADHM O=C(NCC1CC1)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000823175323 606251557 /nfs/dbraw/zinc/25/15/57/606251557.db2.gz FQUZCHTZLLIXEJ-UHFFFAOYSA-N -1 3 351.435 3.158 20 0 FGADHM Cc1sc(-c2ccco2)nc1C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000822552461 606270675 /nfs/dbraw/zinc/27/06/75/606270675.db2.gz ASNYPQYRDZORMU-UHFFFAOYSA-N -1 3 370.369 3.283 20 0 FGADHM Cc1sc(-c2ccco2)nc1C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000822552461 606270677 /nfs/dbraw/zinc/27/06/77/606270677.db2.gz ASNYPQYRDZORMU-UHFFFAOYSA-N -1 3 370.369 3.283 20 0 FGADHM C[C@@]1(CCc2ccccc2)CCN(C(=O)c2sccc2-c2nnn[n-]2)C1 ZINC000820613315 606281383 /nfs/dbraw/zinc/28/13/83/606281383.db2.gz ZQMYPRWXSCPTPI-LJQANCHMSA-N -1 3 367.478 3.413 20 0 FGADHM C[C@@]1(CCc2ccccc2)CCN(C(=O)c2sccc2-c2nn[n-]n2)C1 ZINC000820613315 606281386 /nfs/dbraw/zinc/28/13/86/606281386.db2.gz ZQMYPRWXSCPTPI-LJQANCHMSA-N -1 3 367.478 3.413 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cccc2cc[nH]c21 ZINC000821122898 606281827 /nfs/dbraw/zinc/28/18/27/606281827.db2.gz BJKVPVGHABTGFR-UHFFFAOYSA-N -1 3 361.409 3.422 20 0 FGADHM C/C=C(/C)C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000820827815 606285757 /nfs/dbraw/zinc/28/57/57/606285757.db2.gz YGXFIIXWVJNCGK-BASWHVEKSA-N -1 3 367.384 3.490 20 0 FGADHM C/C=C(/C)C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000820827815 606285758 /nfs/dbraw/zinc/28/57/58/606285758.db2.gz YGXFIIXWVJNCGK-BASWHVEKSA-N -1 3 367.384 3.490 20 0 FGADHM Cc1ccccc1CN(Cc1ccccc1)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000822356458 606318655 /nfs/dbraw/zinc/31/86/55/606318655.db2.gz TXPSTVIOHNKJEV-UHFFFAOYSA-N -1 3 372.432 3.346 20 0 FGADHM Cc1ccccc1CN(Cc1ccccc1)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000822356458 606318656 /nfs/dbraw/zinc/31/86/56/606318656.db2.gz TXPSTVIOHNKJEV-UHFFFAOYSA-N -1 3 372.432 3.346 20 0 FGADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1Cc2ccccc2C[C@@H]1c1ccccc1 ZINC000823466657 606324629 /nfs/dbraw/zinc/32/46/29/606324629.db2.gz NRBPOTKFHOUUHF-LJQANCHMSA-N -1 3 370.416 3.135 20 0 FGADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1Cc2ccccc2C[C@@H]1c1ccccc1 ZINC000823466657 606324630 /nfs/dbraw/zinc/32/46/30/606324630.db2.gz NRBPOTKFHOUUHF-LJQANCHMSA-N -1 3 370.416 3.135 20 0 FGADHM CC[C@H](C)CN(CC)C(=O)c1cc(C2CC2)nc(SC)c1-c1nnn[n-]1 ZINC000820869526 606324670 /nfs/dbraw/zinc/32/46/70/606324670.db2.gz HJXQMOSSSPMXAD-NSHDSACASA-N -1 3 374.514 3.369 20 0 FGADHM O=C(CSc1cccc(-c2nnn[n-]2)c1)N1CCC[C@H]2CCCC[C@H]21 ZINC000823070601 606325021 /nfs/dbraw/zinc/32/50/21/606325021.db2.gz GWNQMZOEQFAXLX-CZUORRHYSA-N -1 3 357.483 3.140 20 0 FGADHM O=C(CSc1cccc(-c2nn[n-]n2)c1)N1CCC[C@H]2CCCC[C@H]21 ZINC000823070601 606325023 /nfs/dbraw/zinc/32/50/23/606325023.db2.gz GWNQMZOEQFAXLX-CZUORRHYSA-N -1 3 357.483 3.140 20 0 FGADHM O=C(CSc1cccc(-c2nnn[n-]2)c1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000823070599 606325097 /nfs/dbraw/zinc/32/50/97/606325097.db2.gz GWNQMZOEQFAXLX-BBRMVZONSA-N -1 3 357.483 3.140 20 0 FGADHM O=C(CSc1cccc(-c2nn[n-]n2)c1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000823070599 606325098 /nfs/dbraw/zinc/32/50/98/606325098.db2.gz GWNQMZOEQFAXLX-BBRMVZONSA-N -1 3 357.483 3.140 20 0 FGADHM C[C@@H](OCc1ccccc1)C(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820518612 606340902 /nfs/dbraw/zinc/34/09/02/606340902.db2.gz HPJONXJXISTGHZ-UONOGXRCSA-N -1 3 352.394 3.076 20 0 FGADHM C[C@@H](OCc1ccccc1)C(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820518612 606340904 /nfs/dbraw/zinc/34/09/04/606340904.db2.gz HPJONXJXISTGHZ-UONOGXRCSA-N -1 3 352.394 3.076 20 0 FGADHM COc1ccc(SCC(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821846734 606341771 /nfs/dbraw/zinc/34/17/71/606341771.db2.gz ZBBYSLMXKZJOID-GFCCVEGCSA-N -1 3 370.434 3.272 20 0 FGADHM COc1ccc(SCC(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821846734 606341773 /nfs/dbraw/zinc/34/17/73/606341773.db2.gz ZBBYSLMXKZJOID-GFCCVEGCSA-N -1 3 370.434 3.272 20 0 FGADHM Cc1ccc(O[C@H](C)C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822258777 606349873 /nfs/dbraw/zinc/34/98/73/606349873.db2.gz CHZHLTJHFHUHGL-UONOGXRCSA-N -1 3 352.394 3.247 20 0 FGADHM Cc1ccc(O[C@H](C)C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822258777 606349874 /nfs/dbraw/zinc/34/98/74/606349874.db2.gz CHZHLTJHFHUHGL-UONOGXRCSA-N -1 3 352.394 3.247 20 0 FGADHM COc1ccc(F)cc1[C@H](C)NC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000821828078 606356370 /nfs/dbraw/zinc/35/63/70/606356370.db2.gz PKZZMSFUDXXAPL-VIFPVBQESA-N -1 3 374.351 3.036 20 0 FGADHM COc1ccc(F)cc1[C@H](C)NC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000821828078 606356372 /nfs/dbraw/zinc/35/63/72/606356372.db2.gz PKZZMSFUDXXAPL-VIFPVBQESA-N -1 3 374.351 3.036 20 0 FGADHM CC(=O)Nc1cc(C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)ccc1C ZINC000819810204 606356804 /nfs/dbraw/zinc/35/68/04/606356804.db2.gz BJDPGAQZBLIVSU-LBPRGKRZSA-N -1 3 365.393 3.052 20 0 FGADHM CC(=O)Nc1cc(C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)ccc1C ZINC000819810204 606356805 /nfs/dbraw/zinc/35/68/05/606356805.db2.gz BJDPGAQZBLIVSU-LBPRGKRZSA-N -1 3 365.393 3.052 20 0 FGADHM C[C@H](OC(=O)c1cnc2ccsc2c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820519137 606358106 /nfs/dbraw/zinc/35/81/06/606358106.db2.gz PTPZOTWOAVZWMT-JTQLQIEISA-N -1 3 351.391 3.394 20 0 FGADHM C[C@H](OC(=O)c1cnc2ccsc2c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820519137 606358108 /nfs/dbraw/zinc/35/81/08/606358108.db2.gz PTPZOTWOAVZWMT-JTQLQIEISA-N -1 3 351.391 3.394 20 0 FGADHM C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820813196 606358964 /nfs/dbraw/zinc/35/89/64/606358964.db2.gz ANAFGOTZZHRIGQ-QLJPJBMISA-N -1 3 352.373 3.061 20 0 FGADHM C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820813196 606358966 /nfs/dbraw/zinc/35/89/66/606358966.db2.gz ANAFGOTZZHRIGQ-QLJPJBMISA-N -1 3 352.373 3.061 20 0 FGADHM Cc1csc([C@H](NC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)C2CC2)n1 ZINC000822409678 606359539 /nfs/dbraw/zinc/35/95/39/606359539.db2.gz UJPFYIIFUIBSDP-CYBMUJFWSA-N -1 3 373.417 3.044 20 0 FGADHM Cc1csc([C@H](NC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C2CC2)n1 ZINC000822409678 606359541 /nfs/dbraw/zinc/35/95/41/606359541.db2.gz UJPFYIIFUIBSDP-CYBMUJFWSA-N -1 3 373.417 3.044 20 0 FGADHM Cc1c(C(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cnc2ccccc12 ZINC000822015653 606363164 /nfs/dbraw/zinc/36/31/64/606363164.db2.gz MSZMXPWKDXOSBS-CYBMUJFWSA-N -1 3 358.405 3.214 20 0 FGADHM Cc1c(C(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cnc2ccccc12 ZINC000822015653 606363166 /nfs/dbraw/zinc/36/31/66/606363166.db2.gz MSZMXPWKDXOSBS-CYBMUJFWSA-N -1 3 358.405 3.214 20 0 FGADHM C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000820649106 606363977 /nfs/dbraw/zinc/36/39/77/606363977.db2.gz IMKJBBBPDXEIQC-WFASDCNBSA-N -1 3 359.499 3.290 20 0 FGADHM C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000820649106 606363979 /nfs/dbraw/zinc/36/39/79/606363979.db2.gz IMKJBBBPDXEIQC-WFASDCNBSA-N -1 3 359.499 3.290 20 0 FGADHM CC[C@H](Oc1ccccc1Cl)C(=O)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000820939448 606371960 /nfs/dbraw/zinc/37/19/60/606371960.db2.gz URUNOWPTDRNBOX-AWEZNQCLSA-N -1 3 358.785 3.283 20 0 FGADHM CC[C@H](Oc1ccccc1Cl)C(=O)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000820939448 606371962 /nfs/dbraw/zinc/37/19/62/606371962.db2.gz URUNOWPTDRNBOX-AWEZNQCLSA-N -1 3 358.785 3.283 20 0 FGADHM COc1cccc(C(C)=CC(=O)OCc2ccccc2-c2nnn[n-]2)c1 ZINC000821860268 606392003 /nfs/dbraw/zinc/39/20/03/606392003.db2.gz ZYJXAUOFWFYGOD-JLHYYAGUSA-N -1 3 350.378 3.022 20 0 FGADHM COc1cccc(C(C)=CC(=O)OCc2ccccc2-c2nn[n-]n2)c1 ZINC000821860268 606392005 /nfs/dbraw/zinc/39/20/05/606392005.db2.gz ZYJXAUOFWFYGOD-JLHYYAGUSA-N -1 3 350.378 3.022 20 0 FGADHM C[C@H](OC(=O)c1cc2ccccc2[nH]c1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820506597 606398090 /nfs/dbraw/zinc/39/80/90/606398090.db2.gz BWEWGQPAFIIPST-NSHDSACASA-N -1 3 361.361 3.039 20 0 FGADHM C[C@H](OC(=O)c1cc2ccccc2[nH]c1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820506597 606398092 /nfs/dbraw/zinc/39/80/92/606398092.db2.gz BWEWGQPAFIIPST-NSHDSACASA-N -1 3 361.361 3.039 20 0 FGADHM CCOc1ccc(CC(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)cc1 ZINC000821418051 606412024 /nfs/dbraw/zinc/41/20/24/606412024.db2.gz VJLCNIDQCVHNIC-UHFFFAOYSA-N -1 3 371.828 3.124 20 0 FGADHM CCOc1ccc(CC(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)cc1 ZINC000821418051 606412026 /nfs/dbraw/zinc/41/20/26/606412026.db2.gz VJLCNIDQCVHNIC-UHFFFAOYSA-N -1 3 371.828 3.124 20 0 FGADHM CCc1ccc(OCC(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)cc1 ZINC000821486747 606413760 /nfs/dbraw/zinc/41/37/60/606413760.db2.gz KRLIEVGKQPQOPS-UHFFFAOYSA-N -1 3 371.828 3.124 20 0 FGADHM CCc1ccc(OCC(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)cc1 ZINC000821486747 606413764 /nfs/dbraw/zinc/41/37/64/606413764.db2.gz KRLIEVGKQPQOPS-UHFFFAOYSA-N -1 3 371.828 3.124 20 0 FGADHM CC(C)(C)OC(=O)Cc1cccc(NCc2ccc(-c3nnn[n-]3)s2)c1 ZINC000819928621 606423105 /nfs/dbraw/zinc/42/31/05/606423105.db2.gz SACCVHPZTBLWPF-UHFFFAOYSA-N -1 3 371.466 3.425 20 0 FGADHM Cc1ccc(-c2nc(CNCc3ccc(-c4nnn[n-]4)s3)co2)cc1 ZINC000822214202 606426348 /nfs/dbraw/zinc/42/63/48/606426348.db2.gz UGBNOZNHDKVSIV-UHFFFAOYSA-N -1 3 352.423 3.181 20 0 FGADHM Cc1ccc(-c2nc(CNCc3ccc(-c4nn[n-]n4)s3)co2)cc1 ZINC000822214202 606426350 /nfs/dbraw/zinc/42/63/50/606426350.db2.gz UGBNOZNHDKVSIV-UHFFFAOYSA-N -1 3 352.423 3.181 20 0 FGADHM Fc1cc(F)c(F)c(CNc2ncc(-c3nnn[n-]3)cc2Cl)c1F ZINC000822753086 606431534 /nfs/dbraw/zinc/43/15/34/606431534.db2.gz COTMJQYDXJOGLW-UHFFFAOYSA-N -1 3 358.686 3.084 20 0 FGADHM Fc1cc(F)c(F)c(CNc2ncc(-c3nn[n-]n3)cc2Cl)c1F ZINC000822753086 606431536 /nfs/dbraw/zinc/43/15/36/606431536.db2.gz COTMJQYDXJOGLW-UHFFFAOYSA-N -1 3 358.686 3.084 20 0 FGADHM Cc1ccc(NC(=O)C2CC2)cc1NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822242828 606449100 /nfs/dbraw/zinc/44/91/00/606449100.db2.gz YWTKSMLQORJPTB-UHFFFAOYSA-N -1 3 366.400 3.275 20 0 FGADHM Cc1ccc(NC(=O)C2CC2)cc1NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822242828 606449103 /nfs/dbraw/zinc/44/91/03/606449103.db2.gz YWTKSMLQORJPTB-UHFFFAOYSA-N -1 3 366.400 3.275 20 0 FGADHM O=C(c1ccc(-c2nnn[n-]2)cc1)N1CCC(c2ccc(F)cc2)CC1 ZINC000823478579 606450587 /nfs/dbraw/zinc/45/05/87/606450587.db2.gz MMEFJEKLGRHQRS-UHFFFAOYSA-N -1 3 351.385 3.026 20 0 FGADHM O=C(c1ccc(-c2nn[n-]n2)cc1)N1CCC(c2ccc(F)cc2)CC1 ZINC000823478579 606450589 /nfs/dbraw/zinc/45/05/89/606450589.db2.gz MMEFJEKLGRHQRS-UHFFFAOYSA-N -1 3 351.385 3.026 20 0 FGADHM O=C(OCc1nc(-c2ccccc2)cs1)c1cc(-c2nnn[n-]2)cs1 ZINC000823440242 606464220 /nfs/dbraw/zinc/46/42/20/606464220.db2.gz JNVWQQHRPUUYIY-UHFFFAOYSA-N -1 3 369.431 3.409 20 0 FGADHM O=C(OCc1nc(-c2ccccc2)cs1)c1cc(-c2nn[n-]n2)cs1 ZINC000823440242 606464222 /nfs/dbraw/zinc/46/42/22/606464222.db2.gz JNVWQQHRPUUYIY-UHFFFAOYSA-N -1 3 369.431 3.409 20 0 FGADHM COc1cc(F)c([C@H](C)OC(=O)c2cc(-c3nnn[n-]3)cs2)c(F)c1 ZINC000821719899 606470507 /nfs/dbraw/zinc/47/05/07/606470507.db2.gz JDIRDRGHHWCPKA-ZETCQYMHSA-N -1 3 366.349 3.133 20 0 FGADHM COc1cc(F)c([C@H](C)OC(=O)c2cc(-c3nn[n-]n3)cs2)c(F)c1 ZINC000821719899 606470509 /nfs/dbraw/zinc/47/05/09/606470509.db2.gz JDIRDRGHHWCPKA-ZETCQYMHSA-N -1 3 366.349 3.133 20 0 FGADHM COc1ccc(C(C)(C)C)cc1NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000821773087 606478648 /nfs/dbraw/zinc/47/86/48/606478648.db2.gz ZTUIWCGYIMDLCY-UHFFFAOYSA-N -1 3 357.439 3.487 20 0 FGADHM COc1ccc(C(C)(C)C)cc1NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000821773087 606478650 /nfs/dbraw/zinc/47/86/50/606478650.db2.gz ZTUIWCGYIMDLCY-UHFFFAOYSA-N -1 3 357.439 3.487 20 0 FGADHM C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820220359 606488406 /nfs/dbraw/zinc/48/84/06/606488406.db2.gz RUKKKSFHLGTMBH-LBPRGKRZSA-N -1 3 353.451 3.369 20 0 FGADHM C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820220359 606488407 /nfs/dbraw/zinc/48/84/07/606488407.db2.gz RUKKKSFHLGTMBH-LBPRGKRZSA-N -1 3 353.451 3.369 20 0 FGADHM C[C@H]1C[C@H]1c1ccc(CN(C(=O)c2cc(-c3nnn[n-]3)cs2)C2CC2)o1 ZINC000820674714 606493264 /nfs/dbraw/zinc/49/32/64/606493264.db2.gz GIHCSMZJLXAOHB-IINYFYTJSA-N -1 3 369.450 3.449 20 0 FGADHM C[C@H]1C[C@H]1c1ccc(CN(C(=O)c2cc(-c3nn[n-]n3)cs2)C2CC2)o1 ZINC000820674714 606493265 /nfs/dbraw/zinc/49/32/65/606493265.db2.gz GIHCSMZJLXAOHB-IINYFYTJSA-N -1 3 369.450 3.449 20 0 FGADHM CC(C)N(C)c1ccc(NC(=O)c2cc(-c3nnn[n-]3)cs2)cc1F ZINC000820112573 606493820 /nfs/dbraw/zinc/49/38/20/606493820.db2.gz ZDOAFSGWECEUOB-UHFFFAOYSA-N -1 3 360.418 3.164 20 0 FGADHM CC(C)N(C)c1ccc(NC(=O)c2cc(-c3nn[n-]n3)cs2)cc1F ZINC000820112573 606493821 /nfs/dbraw/zinc/49/38/21/606493821.db2.gz ZDOAFSGWECEUOB-UHFFFAOYSA-N -1 3 360.418 3.164 20 0 FGADHM CC(C)(C)Oc1ccc(CNC(=O)c2cc(-c3nnn[n-]3)cs2)cc1 ZINC000819949859 606498636 /nfs/dbraw/zinc/49/86/36/606498636.db2.gz ACWTZFHKPMIVQE-UHFFFAOYSA-N -1 3 357.439 3.036 20 0 FGADHM CC(C)(C)Oc1ccc(CNC(=O)c2cc(-c3nn[n-]n3)cs2)cc1 ZINC000819949859 606498638 /nfs/dbraw/zinc/49/86/38/606498638.db2.gz ACWTZFHKPMIVQE-UHFFFAOYSA-N -1 3 357.439 3.036 20 0 FGADHM O=C(Nc1cccc(Oc2ccncc2)c1)c1cc(-c2nnn[n-]2)cs1 ZINC000823367190 606512103 /nfs/dbraw/zinc/51/21/03/606512103.db2.gz FMFGXMCSZVWTDR-UHFFFAOYSA-N -1 3 364.390 3.368 20 0 FGADHM O=C(Nc1cccc(Oc2ccncc2)c1)c1cc(-c2nn[n-]n2)cs1 ZINC000823367190 606512104 /nfs/dbraw/zinc/51/21/04/606512104.db2.gz FMFGXMCSZVWTDR-UHFFFAOYSA-N -1 3 364.390 3.368 20 0 FGADHM C[C@@H](NC(=O)C/C=C\c1cccc(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820323843 606523060 /nfs/dbraw/zinc/52/30/60/606523060.db2.gz ZOYHJJWLEMMWKL-HSBHDXMMSA-N -1 3 351.385 3.287 20 0 FGADHM C[C@@H](NC(=O)C/C=C\c1cccc(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820323843 606523062 /nfs/dbraw/zinc/52/30/62/606523062.db2.gz ZOYHJJWLEMMWKL-HSBHDXMMSA-N -1 3 351.385 3.287 20 0 FGADHM CC[C@@H](Oc1ccccc1C)C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820939808 606523066 /nfs/dbraw/zinc/52/30/66/606523066.db2.gz YSVKWLBPYCEAJR-WMLDXEAASA-N -1 3 365.437 3.210 20 0 FGADHM CC[C@@H](Oc1ccccc1C)C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820939808 606523068 /nfs/dbraw/zinc/52/30/68/606523068.db2.gz YSVKWLBPYCEAJR-WMLDXEAASA-N -1 3 365.437 3.210 20 0 FGADHM CCCOc1ccc(NC(=O)Cc2cccc(-c3nnn[n-]3)c2)c(C)c1 ZINC000821134420 606528881 /nfs/dbraw/zinc/52/88/81/606528881.db2.gz UATVGZOTVDFXDB-UHFFFAOYSA-N -1 3 351.410 3.145 20 0 FGADHM CCCOc1ccc(NC(=O)Cc2cccc(-c3nn[n-]n3)c2)c(C)c1 ZINC000821134420 606528882 /nfs/dbraw/zinc/52/88/82/606528882.db2.gz UATVGZOTVDFXDB-UHFFFAOYSA-N -1 3 351.410 3.145 20 0 FGADHM O=C(c1cc(-c2nnn[n-]2)cs1)N1CCCC[C@H]1c1ccc(F)cc1 ZINC000823472401 606536269 /nfs/dbraw/zinc/53/62/69/606536269.db2.gz KWBUYLSLKAEPKW-AWEZNQCLSA-N -1 3 357.414 3.435 20 0 FGADHM O=C(c1cc(-c2nn[n-]n2)cs1)N1CCCC[C@H]1c1ccc(F)cc1 ZINC000823472401 606536271 /nfs/dbraw/zinc/53/62/71/606536271.db2.gz KWBUYLSLKAEPKW-AWEZNQCLSA-N -1 3 357.414 3.435 20 0 FGADHM CC1(C)CC[C@@H](NC(=O)Cc2cccc(-c3nnn[n-]3)c2)c2ccccc21 ZINC000820590516 606539162 /nfs/dbraw/zinc/53/91/62/606539162.db2.gz VLXYPWWBGLLBBU-GOSISDBHSA-N -1 3 361.449 3.338 20 0 FGADHM CC1(C)CC[C@@H](NC(=O)Cc2cccc(-c3nn[n-]n3)c2)c2ccccc21 ZINC000820590516 606539163 /nfs/dbraw/zinc/53/91/63/606539163.db2.gz VLXYPWWBGLLBBU-GOSISDBHSA-N -1 3 361.449 3.338 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000823088604 606559050 /nfs/dbraw/zinc/55/90/50/606559050.db2.gz YXCZLLUQIMBBRC-MRXNPFEDSA-N -1 3 367.840 3.079 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000823088604 606559051 /nfs/dbraw/zinc/55/90/51/606559051.db2.gz YXCZLLUQIMBBRC-MRXNPFEDSA-N -1 3 367.840 3.079 20 0 FGADHM Cc1cc(C)c(C(=O)COC(=O)c2cc(-c3nnn[n-]3)cs2)c(C)c1C ZINC000822192871 606568971 /nfs/dbraw/zinc/56/89/71/606568971.db2.gz DLQGTXFIDXICOB-UHFFFAOYSA-N -1 3 370.434 3.202 20 0 FGADHM Cc1cc(C)c(C(=O)COC(=O)c2cc(-c3nn[n-]n3)cs2)c(C)c1C ZINC000822192871 606568972 /nfs/dbraw/zinc/56/89/72/606568972.db2.gz DLQGTXFIDXICOB-UHFFFAOYSA-N -1 3 370.434 3.202 20 0 FGADHM CCCCc1ccc(C(=O)COC(=O)c2cc(-c3nnn[n-]3)cs2)cc1 ZINC000821077496 606570021 /nfs/dbraw/zinc/57/00/21/606570021.db2.gz IHFXYHUIBYEVMP-UHFFFAOYSA-N -1 3 370.434 3.311 20 0 FGADHM CCCCc1ccc(C(=O)COC(=O)c2cc(-c3nn[n-]n3)cs2)cc1 ZINC000821077496 606570023 /nfs/dbraw/zinc/57/00/23/606570023.db2.gz IHFXYHUIBYEVMP-UHFFFAOYSA-N -1 3 370.434 3.311 20 0 FGADHM CC(C)C[C@@H](C)CC(=O)NC1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000820057335 606592539 /nfs/dbraw/zinc/59/25/39/606592539.db2.gz YMRMNVAGKJCQDA-OAHLLOKOSA-N -1 3 370.501 3.024 20 0 FGADHM CC(C)C[C@@H](C)CC(=O)NC1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000820057335 606592541 /nfs/dbraw/zinc/59/25/41/606592541.db2.gz YMRMNVAGKJCQDA-OAHLLOKOSA-N -1 3 370.501 3.024 20 0 FGADHM CO[C@H](C)c1nc(CNc2nc3ccccc3cc2-c2nnn[n-]2)cs1 ZINC000821675564 606593518 /nfs/dbraw/zinc/59/35/18/606593518.db2.gz OJBFSCLFTSQUEP-SNVBAGLBSA-N -1 3 367.438 3.191 20 0 FGADHM CO[C@H](C)c1nc(CNc2nc3ccccc3cc2-c2nn[n-]n2)cs1 ZINC000821675564 606593519 /nfs/dbraw/zinc/59/35/19/606593519.db2.gz OJBFSCLFTSQUEP-SNVBAGLBSA-N -1 3 367.438 3.191 20 0 FGADHM COc1cccc([C@H](C)CC(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821857739 606602830 /nfs/dbraw/zinc/60/28/30/606602830.db2.gz ABZINDKAMMGUPF-CQSZACIVSA-N -1 3 365.437 3.028 20 0 FGADHM COc1cccc([C@H](C)CC(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821857739 606602831 /nfs/dbraw/zinc/60/28/31/606602831.db2.gz ABZINDKAMMGUPF-CQSZACIVSA-N -1 3 365.437 3.028 20 0 FGADHM CC(C)(Cc1cccc(Cl)c1)C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000819988199 606618586 /nfs/dbraw/zinc/61/85/86/606618586.db2.gz UHPZEGAPNKAEIQ-UHFFFAOYSA-N -1 3 369.856 3.405 20 0 FGADHM CC(C)(Cc1cccc(Cl)c1)C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000819988199 606618589 /nfs/dbraw/zinc/61/85/89/606618589.db2.gz UHPZEGAPNKAEIQ-UHFFFAOYSA-N -1 3 369.856 3.405 20 0 FGADHM c1ccc2c(c1)CCCCN2Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000823798778 606623292 /nfs/dbraw/zinc/62/32/92/606623292.db2.gz YGBDAULQCXYIFK-UHFFFAOYSA-N -1 3 373.420 3.260 20 0 FGADHM c1ccc2c(c1)CCCCN2Cc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000823798778 606623294 /nfs/dbraw/zinc/62/32/94/606623294.db2.gz YGBDAULQCXYIFK-UHFFFAOYSA-N -1 3 373.420 3.260 20 0 FGADHM C[C@@H]1CCC[C@H](C)N1C(=O)CSc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000820697512 606628108 /nfs/dbraw/zinc/62/81/08/606628108.db2.gz IDQRNGDJNSTHOF-PHIMTYICSA-N -1 3 365.890 3.402 20 0 FGADHM C[C@@H]1CCC[C@H](C)N1C(=O)CSc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000820697512 606628110 /nfs/dbraw/zinc/62/81/10/606628110.db2.gz IDQRNGDJNSTHOF-PHIMTYICSA-N -1 3 365.890 3.402 20 0 FGADHM FC(F)(F)c1cc(N2CCO[C@H](c3ccco3)C2)ccc1-c1nnn[n-]1 ZINC000822723477 606633759 /nfs/dbraw/zinc/63/37/59/606633759.db2.gz GFGIOTVGWYUAKD-AWEZNQCLSA-N -1 3 365.315 3.056 20 0 FGADHM FC(F)(F)c1cc(N2CCO[C@H](c3ccco3)C2)ccc1-c1nn[n-]n1 ZINC000822723477 606633760 /nfs/dbraw/zinc/63/37/60/606633760.db2.gz GFGIOTVGWYUAKD-AWEZNQCLSA-N -1 3 365.315 3.056 20 0 FGADHM Cc1cccc(C(C)C)c1NCC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000822288874 606638871 /nfs/dbraw/zinc/63/88/71/606638871.db2.gz LRURUSIZAMNBPV-UHFFFAOYSA-N -1 3 364.453 3.027 20 0 FGADHM Cc1cccc(C(C)C)c1NCC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000822288874 606638872 /nfs/dbraw/zinc/63/88/72/606638872.db2.gz LRURUSIZAMNBPV-UHFFFAOYSA-N -1 3 364.453 3.027 20 0 FGADHM C[C@H](NC(=O)N([C@@H](C)c1ccco1)C1CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820339843 606657111 /nfs/dbraw/zinc/65/71/11/606657111.db2.gz GWUXUSCPMKBCSI-STQMWFEESA-N -1 3 366.425 3.456 20 0 FGADHM C[C@H](NC(=O)N([C@@H](C)c1ccco1)C1CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820339843 606657112 /nfs/dbraw/zinc/65/71/12/606657112.db2.gz GWUXUSCPMKBCSI-STQMWFEESA-N -1 3 366.425 3.456 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@H]2CCC[C@@H]21 ZINC000821406983 606657484 /nfs/dbraw/zinc/65/74/84/606657484.db2.gz MXLDODIPXYDLAF-DOMZBBRYSA-N -1 3 356.430 3.062 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@H]2CCC[C@@H]21 ZINC000821406983 606657485 /nfs/dbraw/zinc/65/74/85/606657485.db2.gz MXLDODIPXYDLAF-DOMZBBRYSA-N -1 3 356.430 3.062 20 0 FGADHM O=C(C[C@@H]1CCCCO1)Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822940998 606662990 /nfs/dbraw/zinc/66/29/90/606662990.db2.gz MMZVOWKYUNTKFW-SFHVURJKSA-N -1 3 364.405 3.398 20 0 FGADHM O=C(C[C@@H]1CCCCO1)Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822940998 606662991 /nfs/dbraw/zinc/66/29/91/606662991.db2.gz MMZVOWKYUNTKFW-SFHVURJKSA-N -1 3 364.405 3.398 20 0 FGADHM O=C(Nc1ccc(C(F)(F)F)cc1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823323282 606664295 /nfs/dbraw/zinc/66/42/95/606664295.db2.gz JLPGNCKXGFJWST-UHFFFAOYSA-N -1 3 369.253 3.416 20 0 FGADHM O=C(Nc1ccc(C(F)(F)F)cc1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823323282 606664296 /nfs/dbraw/zinc/66/42/96/606664296.db2.gz JLPGNCKXGFJWST-UHFFFAOYSA-N -1 3 369.253 3.416 20 0 FGADHM Cc1cc(C)c(CNC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c(C)c1 ZINC000822194486 606667063 /nfs/dbraw/zinc/66/70/63/606667063.db2.gz ZSXCWJRUKCKXSC-UHFFFAOYSA-N -1 3 357.364 3.000 20 0 FGADHM Cc1cc(C)c(CNC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c(C)c1 ZINC000822194486 606667064 /nfs/dbraw/zinc/66/70/64/606667064.db2.gz ZSXCWJRUKCKXSC-UHFFFAOYSA-N -1 3 357.364 3.000 20 0 FGADHM Cc1ccc([C@H](C)NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1C ZINC000822228860 606667911 /nfs/dbraw/zinc/66/79/11/606667911.db2.gz HEQUJLRMHVHUDF-NSHDSACASA-N -1 3 357.364 3.253 20 0 FGADHM Cc1ccc([C@H](C)NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1C ZINC000822228860 606667912 /nfs/dbraw/zinc/66/79/12/606667912.db2.gz HEQUJLRMHVHUDF-NSHDSACASA-N -1 3 357.364 3.253 20 0 FGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)Cc1ccc(F)c(F)c1 ZINC000820151663 606672418 /nfs/dbraw/zinc/67/24/18/606672418.db2.gz LXPGKSJBNPVVHY-UHFFFAOYSA-N -1 3 373.363 3.113 20 0 FGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)Cc1ccc(F)c(F)c1 ZINC000820151663 606672419 /nfs/dbraw/zinc/67/24/19/606672419.db2.gz LXPGKSJBNPVVHY-UHFFFAOYSA-N -1 3 373.363 3.113 20 0 FGADHM CC[C@@H]1c2ccccc2CCN1C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821001349 606680077 /nfs/dbraw/zinc/68/00/77/606680077.db2.gz QNJBKZJCDHPELW-MRXNPFEDSA-N -1 3 369.375 3.295 20 0 FGADHM CC[C@@H]1c2ccccc2CCN1C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821001349 606680078 /nfs/dbraw/zinc/68/00/78/606680078.db2.gz QNJBKZJCDHPELW-MRXNPFEDSA-N -1 3 369.375 3.295 20 0 FGADHM Cc1cccc(C(C)(C)NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c1 ZINC000822289179 606680798 /nfs/dbraw/zinc/68/07/98/606680798.db2.gz UDDGWMCYYOSZQQ-UHFFFAOYSA-N -1 3 357.364 3.118 20 0 FGADHM Cc1cccc(C(C)(C)NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c1 ZINC000822289179 606680799 /nfs/dbraw/zinc/68/07/99/606680799.db2.gz UDDGWMCYYOSZQQ-UHFFFAOYSA-N -1 3 357.364 3.118 20 0 FGADHM CC[C@H](c1ccncc1)N(CC)C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820944693 606681655 /nfs/dbraw/zinc/68/16/55/606681655.db2.gz NAVHCIJRRYXRSX-OAHLLOKOSA-N -1 3 372.379 3.153 20 0 FGADHM CC[C@H](c1ccncc1)N(CC)C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820944693 606681656 /nfs/dbraw/zinc/68/16/56/606681656.db2.gz NAVHCIJRRYXRSX-OAHLLOKOSA-N -1 3 372.379 3.153 20 0 FGADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N(C)C1CCC(C)(C)CC1 ZINC000820536506 606690811 /nfs/dbraw/zinc/69/08/11/606690811.db2.gz VJCGMNOZRMVDHN-ZDUSSCGKSA-N -1 3 357.458 3.061 20 0 FGADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N(C)C1CCC(C)(C)CC1 ZINC000820536506 606690812 /nfs/dbraw/zinc/69/08/12/606690812.db2.gz VJCGMNOZRMVDHN-ZDUSSCGKSA-N -1 3 357.458 3.061 20 0 FGADHM CC[C@@H]1CCN(C(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)C1 ZINC000820988316 606693415 /nfs/dbraw/zinc/69/34/15/606693415.db2.gz FKVQZPWQLYMSBY-CQSZACIVSA-N -1 3 362.437 3.482 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC(CC)(CC)C1 ZINC000821406426 606696520 /nfs/dbraw/zinc/69/65/20/606696520.db2.gz DOPPRPVBCDUYKY-UHFFFAOYSA-N -1 3 358.446 3.309 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC(CC)(CC)C1 ZINC000821406426 606696521 /nfs/dbraw/zinc/69/65/21/606696521.db2.gz DOPPRPVBCDUYKY-UHFFFAOYSA-N -1 3 358.446 3.309 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N1CC[C@H](c2ccc(F)cc2)C1 ZINC000823332945 606696835 /nfs/dbraw/zinc/69/68/35/606696835.db2.gz VGKPUWZCSCODHX-LBPRGKRZSA-N -1 3 370.363 3.166 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N1CC[C@H](c2ccc(F)cc2)C1 ZINC000823332945 606696836 /nfs/dbraw/zinc/69/68/36/606696836.db2.gz VGKPUWZCSCODHX-LBPRGKRZSA-N -1 3 370.363 3.166 20 0 FGADHM Cc1cc(O)c(C(C)C)cc1NC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000822210978 606703272 /nfs/dbraw/zinc/70/32/72/606703272.db2.gz ZGEJLHHIHPSZRE-UHFFFAOYSA-N -1 3 367.409 3.022 20 0 FGADHM Cc1cc(O)c(C(C)C)cc1NC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000822210978 606703274 /nfs/dbraw/zinc/70/32/74/606703274.db2.gz ZGEJLHHIHPSZRE-UHFFFAOYSA-N -1 3 367.409 3.022 20 0 FGADHM COc1cccc(Br)c1OCc1ccccc1-c1nnn[n-]1 ZINC000821854855 606707914 /nfs/dbraw/zinc/70/79/14/606707914.db2.gz YCCJMCPAXMHVLJ-UHFFFAOYSA-N -1 3 361.199 3.217 20 0 FGADHM COc1cccc(Br)c1OCc1ccccc1-c1nn[n-]n1 ZINC000821854855 606707916 /nfs/dbraw/zinc/70/79/16/606707916.db2.gz YCCJMCPAXMHVLJ-UHFFFAOYSA-N -1 3 361.199 3.217 20 0 FGADHM FC(F)(F)c1cc(N[C@@H]2CCC[C@@H]3OCC[C@H]32)ccc1-c1nnn[n-]1 ZINC000822723638 606729695 /nfs/dbraw/zinc/72/96/95/606729695.db2.gz IXERQOSHIHQSLN-YUTCNCBUSA-N -1 3 353.348 3.255 20 0 FGADHM FC(F)(F)c1cc(N[C@@H]2CCC[C@@H]3OCC[C@H]32)ccc1-c1nn[n-]n1 ZINC000822723638 606729696 /nfs/dbraw/zinc/72/96/96/606729696.db2.gz IXERQOSHIHQSLN-YUTCNCBUSA-N -1 3 353.348 3.255 20 0 FGADHM O=C(Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)c1cc[nH]c(=O)c1 ZINC000823350135 606733682 /nfs/dbraw/zinc/73/36/82/606733682.db2.gz AHNGBHHIKVWJHZ-UHFFFAOYSA-N -1 3 374.360 3.012 20 0 FGADHM O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)c1cc[nH]c(=O)c1 ZINC000823350135 606733683 /nfs/dbraw/zinc/73/36/83/606733683.db2.gz AHNGBHHIKVWJHZ-UHFFFAOYSA-N -1 3 374.360 3.012 20 0 FGADHM O=C(OCc1cnc2ccccc2c1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823440068 606750056 /nfs/dbraw/zinc/75/00/56/606750056.db2.gz AZTCCIUJCGSESA-UHFFFAOYSA-N -1 3 367.315 3.050 20 0 FGADHM O=C(OCc1cnc2ccccc2c1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823440068 606750058 /nfs/dbraw/zinc/75/00/58/606750058.db2.gz AZTCCIUJCGSESA-UHFFFAOYSA-N -1 3 367.315 3.050 20 0 FGADHM O=C(Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1)[C@H]1CCSC1 ZINC000823444928 606779392 /nfs/dbraw/zinc/77/93/92/606779392.db2.gz QUMPMJSVISKJOR-HNNXBMFYSA-N -1 3 352.419 3.192 20 0 FGADHM O=C(Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1)[C@H]1CCSC1 ZINC000823444928 606779394 /nfs/dbraw/zinc/77/93/94/606779394.db2.gz QUMPMJSVISKJOR-HNNXBMFYSA-N -1 3 352.419 3.192 20 0 FGADHM O=C(COc1cc(Cl)ccc1-c1nnn[n-]1)NC1CCCCCCC1 ZINC000823031952 606781814 /nfs/dbraw/zinc/78/18/14/606781814.db2.gz KVBCJDRVENEZGI-UHFFFAOYSA-N -1 3 363.849 3.128 20 0 FGADHM O=C(COc1cc(Cl)ccc1-c1nn[n-]n1)NC1CCCCCCC1 ZINC000823031952 606781815 /nfs/dbraw/zinc/78/18/15/606781815.db2.gz KVBCJDRVENEZGI-UHFFFAOYSA-N -1 3 363.849 3.128 20 0 FGADHM CSc1cc(C)ccc1CNc1nc2c(cc1-c1nnn[n-]1)CCC2 ZINC000821978181 606800790 /nfs/dbraw/zinc/80/07/90/606800790.db2.gz KIEXLTZPBTVBPK-UHFFFAOYSA-N -1 3 352.467 3.393 20 0 FGADHM CSc1cc(C)ccc1CNc1nc2c(cc1-c1nn[n-]n1)CCC2 ZINC000821978181 606800791 /nfs/dbraw/zinc/80/07/91/606800791.db2.gz KIEXLTZPBTVBPK-UHFFFAOYSA-N -1 3 352.467 3.393 20 0 FGADHM CC(C)c1cccc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)n1 ZINC000820192195 606804188 /nfs/dbraw/zinc/80/41/88/606804188.db2.gz GFKNTMJOJNQLJC-UHFFFAOYSA-N -1 3 374.351 3.239 20 0 FGADHM CC(C)c1cccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)n1 ZINC000820192195 606804189 /nfs/dbraw/zinc/80/41/89/606804189.db2.gz GFKNTMJOJNQLJC-UHFFFAOYSA-N -1 3 374.351 3.239 20 0 FGADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)c1cccc(C(C)C)n1 ZINC000821699600 606809703 /nfs/dbraw/zinc/80/97/03/606809703.db2.gz WCNIDCMVQIARLI-UHFFFAOYSA-N -1 3 373.800 3.266 20 0 FGADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)c1cccc(C(C)C)n1 ZINC000821699600 606809704 /nfs/dbraw/zinc/80/97/04/606809704.db2.gz WCNIDCMVQIARLI-UHFFFAOYSA-N -1 3 373.800 3.266 20 0 FGADHM CC(C)CC1(CNC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000820062150 606810503 /nfs/dbraw/zinc/81/05/03/606810503.db2.gz IBFZWNPTXAOMRN-UHFFFAOYSA-N -1 3 371.485 3.358 20 0 FGADHM CC(C)CC1(CNC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000820062150 606810504 /nfs/dbraw/zinc/81/05/04/606810504.db2.gz IBFZWNPTXAOMRN-UHFFFAOYSA-N -1 3 371.485 3.358 20 0 FGADHM CC(C)CN(CC(C)(C)C)C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820086556 606813679 /nfs/dbraw/zinc/81/36/79/606813679.db2.gz AIAVAAAWEIMVPF-UHFFFAOYSA-N -1 3 351.401 3.289 20 0 FGADHM CC(C)CN(CC(C)(C)C)C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820086556 606813681 /nfs/dbraw/zinc/81/36/81/606813681.db2.gz AIAVAAAWEIMVPF-UHFFFAOYSA-N -1 3 351.401 3.289 20 0 FGADHM CC[C@@H]1CCC[C@H]1NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000820972018 606837331 /nfs/dbraw/zinc/83/73/31/606837331.db2.gz JLEGOSVXUPYCII-RHSMWYFYSA-N -1 3 354.458 3.119 20 0 FGADHM CC[C@@H]1CCC[C@H]1NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000820972018 606837332 /nfs/dbraw/zinc/83/73/32/606837332.db2.gz JLEGOSVXUPYCII-RHSMWYFYSA-N -1 3 354.458 3.119 20 0 FGADHM CCN(C(=O)C[C@@H](C)c1ccncc1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821147863 606856822 /nfs/dbraw/zinc/85/68/22/606856822.db2.gz KGRXLHVLOWXOLR-HUUCEWRRSA-N -1 3 364.453 3.365 20 0 FGADHM CCN(C(=O)C[C@@H](C)c1ccncc1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821147863 606856825 /nfs/dbraw/zinc/85/68/25/606856825.db2.gz KGRXLHVLOWXOLR-HUUCEWRRSA-N -1 3 364.453 3.365 20 0 FGADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C1(Cc2ccccc2)CCC1 ZINC000821612029 606861256 /nfs/dbraw/zinc/86/12/56/606861256.db2.gz FQWMHURUDRXVIJ-UHFFFAOYSA-N -1 3 361.449 3.238 20 0 FGADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C1(Cc2ccccc2)CCC1 ZINC000821612029 606861258 /nfs/dbraw/zinc/86/12/58/606861258.db2.gz FQWMHURUDRXVIJ-UHFFFAOYSA-N -1 3 361.449 3.238 20 0 FGADHM O=C(c1cccc(Cl)c1F)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000823493203 606865903 /nfs/dbraw/zinc/86/59/03/606865903.db2.gz IBVRVDCEKXYBKF-UHFFFAOYSA-N -1 3 371.803 3.464 20 0 FGADHM O=C(c1cccc(Cl)c1F)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000823493203 606865905 /nfs/dbraw/zinc/86/59/05/606865905.db2.gz IBVRVDCEKXYBKF-UHFFFAOYSA-N -1 3 371.803 3.464 20 0 FGADHM CO[C@@H](CNC(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccccc1Cl ZINC000821676627 606870251 /nfs/dbraw/zinc/87/02/51/606870251.db2.gz CIXQYPXIFOSNBK-HNNXBMFYSA-N -1 3 372.816 3.029 20 0 FGADHM CO[C@@H](CNC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccccc1Cl ZINC000821676627 606870253 /nfs/dbraw/zinc/87/02/53/606870253.db2.gz CIXQYPXIFOSNBK-HNNXBMFYSA-N -1 3 372.816 3.029 20 0 FGADHM C[C@H](NC(=O)N1CC(C)(C)c2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820340702 606870503 /nfs/dbraw/zinc/87/05/03/606870503.db2.gz MXZSFJNGWCNSML-ZDUSSCGKSA-N -1 3 362.437 3.435 20 0 FGADHM C[C@H](NC(=O)N1CC(C)(C)c2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820340702 606870505 /nfs/dbraw/zinc/87/05/05/606870505.db2.gz MXZSFJNGWCNSML-ZDUSSCGKSA-N -1 3 362.437 3.435 20 0 FGADHM CC(C)C[C@H]1CCCCN1C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000820061433 606880402 /nfs/dbraw/zinc/88/04/02/606880402.db2.gz ALDVEUGMUQREQZ-OAHLLOKOSA-N -1 3 359.499 3.386 20 0 FGADHM CC(C)C[C@H]1CCCCN1C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000820061433 606880403 /nfs/dbraw/zinc/88/04/03/606880403.db2.gz ALDVEUGMUQREQZ-OAHLLOKOSA-N -1 3 359.499 3.386 20 0 FGADHM COC(=O)c1cc(Cl)cc(NCc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000821667967 606929272 /nfs/dbraw/zinc/92/92/72/606929272.db2.gz JAPRJXHMPJZTDB-UHFFFAOYSA-N -1 3 361.764 3.058 20 0 FGADHM COC(=O)c1cc(Cl)cc(NCc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000821667967 606929273 /nfs/dbraw/zinc/92/92/73/606929273.db2.gz JAPRJXHMPJZTDB-UHFFFAOYSA-N -1 3 361.764 3.058 20 0 FGADHM CCc1nnc(N[C@H](C)c2ccc(F)cc2F)c(-c2nnn[n-]2)c1CC ZINC000821528147 606942982 /nfs/dbraw/zinc/94/29/82/606942982.db2.gz JZRWJANIQGGUBR-SECBINFHSA-N -1 3 359.384 3.233 20 0 FGADHM CCc1nnc(N[C@H](C)c2ccc(F)cc2F)c(-c2nn[n-]n2)c1CC ZINC000821528147 606942983 /nfs/dbraw/zinc/94/29/83/606942983.db2.gz JZRWJANIQGGUBR-SECBINFHSA-N -1 3 359.384 3.233 20 0 FGADHM C[C@@H](C(=O)OCCCOc1cccc(-c2nnn[n-]2)c1)c1cccc(F)c1 ZINC000819883663 606949320 /nfs/dbraw/zinc/94/93/20/606949320.db2.gz KECXVRYRSUMOPB-CYBMUJFWSA-N -1 3 370.384 3.122 20 0 FGADHM C[C@@H](C(=O)OCCCOc1cccc(-c2nn[n-]n2)c1)c1cccc(F)c1 ZINC000819883663 606949322 /nfs/dbraw/zinc/94/93/22/606949322.db2.gz KECXVRYRSUMOPB-CYBMUJFWSA-N -1 3 370.384 3.122 20 0 FGADHM CC(C)c1cccc(C(=O)OCCCOc2cccc(-c3nnn[n-]3)c2)n1 ZINC000820192316 606950915 /nfs/dbraw/zinc/95/09/15/606950915.db2.gz JEDIKVGCUHVLFL-UHFFFAOYSA-N -1 3 367.409 3.011 20 0 FGADHM CC(C)c1cccc(C(=O)OCCCOc2cccc(-c3nn[n-]n3)c2)n1 ZINC000820192316 606950917 /nfs/dbraw/zinc/95/09/17/606950917.db2.gz JEDIKVGCUHVLFL-UHFFFAOYSA-N -1 3 367.409 3.011 20 0 FGADHM COc1cc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)ccc1F ZINC000821702795 606955538 /nfs/dbraw/zinc/95/55/38/606955538.db2.gz AKYIJBLEQTUDGA-UHFFFAOYSA-N -1 3 373.413 3.207 20 0 FGADHM COc1cc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)ccc1F ZINC000821702795 606955540 /nfs/dbraw/zinc/95/55/40/606955540.db2.gz AKYIJBLEQTUDGA-UHFFFAOYSA-N -1 3 373.413 3.207 20 0 FGADHM COc1ccc(C=CC(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)cc1 ZINC000821787226 606959885 /nfs/dbraw/zinc/95/98/85/606959885.db2.gz QHTKVUKAWLVGBE-BJMVGYQFSA-N -1 3 369.812 3.205 20 0 FGADHM COc1ccc(C=CC(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)cc1 ZINC000821787226 606959886 /nfs/dbraw/zinc/95/98/86/606959886.db2.gz QHTKVUKAWLVGBE-BJMVGYQFSA-N -1 3 369.812 3.205 20 0 FGADHM CCS[C@@H](C)c1noc(CNc2ccc(Cl)c(-c3nnn[n-]3)c2)n1 ZINC000821449776 606984305 /nfs/dbraw/zinc/98/43/05/606984305.db2.gz XMNNEKFIJXRUCP-QMMMGPOBSA-N -1 3 365.850 3.329 20 0 FGADHM CCS[C@@H](C)c1noc(CNc2ccc(Cl)c(-c3nn[n-]n3)c2)n1 ZINC000821449776 606984306 /nfs/dbraw/zinc/98/43/06/606984306.db2.gz XMNNEKFIJXRUCP-QMMMGPOBSA-N -1 3 365.850 3.329 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)C1(c2ccc(Cl)cc2)CC1 ZINC000823421557 606989666 /nfs/dbraw/zinc/98/96/66/606989666.db2.gz CGLSKZRCHBUDJX-UHFFFAOYSA-N -1 3 372.787 3.434 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)C1(c2ccc(Cl)cc2)CC1 ZINC000823421557 606989667 /nfs/dbraw/zinc/98/96/67/606989667.db2.gz CGLSKZRCHBUDJX-UHFFFAOYSA-N -1 3 372.787 3.434 20 0 FGADHM O=C(C=Cc1ccc(Cl)s1)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822928087 606992205 /nfs/dbraw/zinc/99/22/05/606992205.db2.gz DIMMIPGUQTUQHE-UTCJRWHESA-N -1 3 364.789 3.477 20 0 FGADHM O=C(C=Cc1ccc(Cl)s1)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822928087 606992206 /nfs/dbraw/zinc/99/22/06/606992206.db2.gz DIMMIPGUQTUQHE-UTCJRWHESA-N -1 3 364.789 3.477 20 0 FGADHM CCC1CCC(NC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000820971736 606992332 /nfs/dbraw/zinc/99/23/32/606992332.db2.gz FJNVXOQDBGMXRY-UHFFFAOYSA-N -1 3 357.458 3.109 20 0 FGADHM CCC1CCC(NC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000820971736 606992333 /nfs/dbraw/zinc/99/23/33/606992333.db2.gz FJNVXOQDBGMXRY-UHFFFAOYSA-N -1 3 357.458 3.109 20 0 FGADHM Cc1ccc([C@@H](C)NC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822229433 606992378 /nfs/dbraw/zinc/99/23/78/606992378.db2.gz UQVPAQODFIIQCV-CQSZACIVSA-N -1 3 365.437 3.210 20 0 FGADHM Cc1ccc([C@@H](C)NC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822229433 606992379 /nfs/dbraw/zinc/99/23/79/606992379.db2.gz UQVPAQODFIIQCV-CQSZACIVSA-N -1 3 365.437 3.210 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc(Cl)cc1C ZINC000821412689 607000735 /nfs/dbraw/zinc/00/07/35/607000735.db2.gz REWQDLOOYYVVTN-UHFFFAOYSA-N -1 3 357.801 3.480 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(Cl)cc1C ZINC000821412689 607000738 /nfs/dbraw/zinc/00/07/38/607000738.db2.gz REWQDLOOYYVVTN-UHFFFAOYSA-N -1 3 357.801 3.480 20 0 FGADHM C[C@H](CC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2)c1ccncc1 ZINC000820225190 607006270 /nfs/dbraw/zinc/00/62/70/607006270.db2.gz CTEJXRIFTYOEFZ-LLVKDONJSA-N -1 3 368.466 3.334 20 0 FGADHM C[C@H](CC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2)c1ccncc1 ZINC000820225190 607006271 /nfs/dbraw/zinc/00/62/71/607006271.db2.gz CTEJXRIFTYOEFZ-LLVKDONJSA-N -1 3 368.466 3.334 20 0 FGADHM O=c1[nH]c(CSc2cccc(-c3nnn[n-]3)c2)nc2cc(Cl)ccc12 ZINC000823656814 607012714 /nfs/dbraw/zinc/01/27/14/607012714.db2.gz JKKZVWJEHLLWKU-UHFFFAOYSA-N -1 3 370.825 3.461 20 0 FGADHM O=c1[nH]c(CSc2cccc(-c3nn[n-]n3)c2)nc2cc(Cl)ccc12 ZINC000823656814 607012715 /nfs/dbraw/zinc/01/27/15/607012715.db2.gz JKKZVWJEHLLWKU-UHFFFAOYSA-N -1 3 370.825 3.461 20 0 FGADHM CC(=O)c1ccccc1NC(=O)[C@@H](C)Sc1cccc(-c2nnn[n-]2)c1 ZINC000819845848 607014537 /nfs/dbraw/zinc/01/45/37/607014537.db2.gz XKSAECWDMMTPAJ-GFCCVEGCSA-N -1 3 367.434 3.189 20 0 FGADHM CC(=O)c1ccccc1NC(=O)[C@@H](C)Sc1cccc(-c2nn[n-]n2)c1 ZINC000819845848 607014539 /nfs/dbraw/zinc/01/45/39/607014539.db2.gz XKSAECWDMMTPAJ-GFCCVEGCSA-N -1 3 367.434 3.189 20 0 FGADHM CCc1c(C)sc(NC(=O)C[C@@H](C)c2ccncc2)c1-c1nnn[n-]1 ZINC000821465554 607018967 /nfs/dbraw/zinc/01/89/67/607018967.db2.gz JGNWADPJHBQRHY-SNVBAGLBSA-N -1 3 356.455 3.326 20 0 FGADHM CCc1c(C)sc(NC(=O)C[C@@H](C)c2ccncc2)c1-c1nn[n-]n1 ZINC000821465554 607018968 /nfs/dbraw/zinc/01/89/68/607018968.db2.gz JGNWADPJHBQRHY-SNVBAGLBSA-N -1 3 356.455 3.326 20 0 FGADHM CCC(=O)c1ccc(Oc2nnc(CC)c(CC)c2-c2nnn[n-]2)c(F)c1 ZINC000820843355 607034950 /nfs/dbraw/zinc/03/49/50/607034950.db2.gz XCHQFAZQTZHYHR-UHFFFAOYSA-N -1 3 370.388 3.306 20 0 FGADHM CCC(CC)CC(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000820893294 607036268 /nfs/dbraw/zinc/03/62/68/607036268.db2.gz MMHQDLPOITULAN-UHFFFAOYSA-N -1 3 357.458 3.063 20 0 FGADHM CCC(CC)CC(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000820893294 607036270 /nfs/dbraw/zinc/03/62/70/607036270.db2.gz MMHQDLPOITULAN-UHFFFAOYSA-N -1 3 357.458 3.063 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)C[C@H](C)c1ccncc1 ZINC000821119073 607040890 /nfs/dbraw/zinc/04/08/90/607040890.db2.gz ULCODEFHKDOFQX-ZDUSSCGKSA-N -1 3 365.441 3.216 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc2ccccn2c1 ZINC000821123799 607043005 /nfs/dbraw/zinc/04/30/05/607043005.db2.gz ZQLXOHQRVKQXBQ-UHFFFAOYSA-N -1 3 361.409 3.194 20 0 FGADHM O=C(c1cccc(-c2nnn[n-]2)c1)N1CCc2c(Cl)cc(Cl)cc2C1 ZINC000823493335 607056798 /nfs/dbraw/zinc/05/67/98/607056798.db2.gz LHWPGYLBZKSJNE-UHFFFAOYSA-N -1 3 374.231 3.372 20 0 FGADHM O=C(c1cccc(-c2nn[n-]n2)c1)N1CCc2c(Cl)cc(Cl)cc2C1 ZINC000823493335 607056800 /nfs/dbraw/zinc/05/68/00/607056800.db2.gz LHWPGYLBZKSJNE-UHFFFAOYSA-N -1 3 374.231 3.372 20 0 FGADHM CC(C)(C)c1ncc(C(=O)OCc2cc(F)ccc2-c2nnn[n-]2)s1 ZINC000819965676 607080383 /nfs/dbraw/zinc/08/03/83/607080383.db2.gz MMWRXGHSADAMAQ-UHFFFAOYSA-N -1 3 361.402 3.117 20 0 FGADHM CC(C)(C)c1ncc(C(=O)OCc2cc(F)ccc2-c2nn[n-]n2)s1 ZINC000819965676 607080384 /nfs/dbraw/zinc/08/03/84/607080384.db2.gz MMWRXGHSADAMAQ-UHFFFAOYSA-N -1 3 361.402 3.117 20 0 FGADHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000823413888 607084908 /nfs/dbraw/zinc/08/49/08/607084908.db2.gz OXNKPPODZIMZRL-UKRRQHHQSA-N -1 3 374.322 3.131 20 0 FGADHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000823413888 607084910 /nfs/dbraw/zinc/08/49/10/607084910.db2.gz OXNKPPODZIMZRL-UKRRQHHQSA-N -1 3 374.322 3.131 20 0 FGADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CSc1ccccc1C ZINC000821304211 607100676 /nfs/dbraw/zinc/10/06/76/607100676.db2.gz BGPXTAQWNQCPCK-UHFFFAOYSA-N -1 3 368.466 3.338 20 0 FGADHM COc1ccc(C(C)(C)C(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000821773063 607116839 /nfs/dbraw/zinc/11/68/39/607116839.db2.gz YSBSNFLXYPJTEQ-UHFFFAOYSA-N -1 3 370.384 3.035 20 0 FGADHM COc1ccc(C(C)(C)C(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000821773063 607116840 /nfs/dbraw/zinc/11/68/40/607116840.db2.gz YSBSNFLXYPJTEQ-UHFFFAOYSA-N -1 3 370.384 3.035 20 0 FGADHM CCCOc1cc(F)ccc1NC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000821128601 607118000 /nfs/dbraw/zinc/11/80/00/607118000.db2.gz XGZCPLDBXRFGMG-UHFFFAOYSA-N -1 3 356.361 3.439 20 0 FGADHM CCCOc1cc(F)ccc1NC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000821128601 607118002 /nfs/dbraw/zinc/11/80/02/607118002.db2.gz XGZCPLDBXRFGMG-UHFFFAOYSA-N -1 3 356.361 3.439 20 0 FGADHM O=C(CNc1ccc(-c2nn[n-]n2)cc1Cl)Nc1ccc2c(c1)CCC2 ZINC000823014330 607125116 /nfs/dbraw/zinc/12/51/16/607125116.db2.gz KXPZMLUHBANMKO-UHFFFAOYSA-N -1 3 368.828 3.059 20 0 FGADHM O=C(CNc1ccc(-c2nn[n-]n2)cc1Cl)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000823014124 607125255 /nfs/dbraw/zinc/12/52/55/607125255.db2.gz GVANTAHKASNAOX-LRDDRELGSA-N -1 3 374.876 3.113 20 0 FGADHM Cc1ccc(NC(=O)CNc2ccc(-c3nn[n-]n3)cc2Cl)c(F)c1 ZINC000822242728 607125898 /nfs/dbraw/zinc/12/58/98/607125898.db2.gz VUUYETLNZRZHEO-UHFFFAOYSA-N -1 3 360.780 3.018 20 0 FGADHM Cc1ccccc1-c1noc(CNc2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000822345782 607126131 /nfs/dbraw/zinc/12/61/31/607126131.db2.gz RJIIUXNRNLHEMW-UHFFFAOYSA-N -1 3 367.800 3.491 20 0 FGADHM Cc1nc(-c2cccnc2)nc(Oc2ccc(-c3nnn[n-]3)cc2F)c1C ZINC000822424675 607129123 /nfs/dbraw/zinc/12/91/23/607129123.db2.gz YUKBMQIMECZMFI-UHFFFAOYSA-N -1 3 363.356 3.267 20 0 FGADHM Cc1nc(-c2cccnc2)nc(Oc2ccc(-c3nn[n-]n3)cc2F)c1C ZINC000822424675 607129125 /nfs/dbraw/zinc/12/91/25/607129125.db2.gz YUKBMQIMECZMFI-UHFFFAOYSA-N -1 3 363.356 3.267 20 0 FGADHM Fc1ccc2c(c1F)CN(c1c(-c3nnn[n-]3)cnc3ccccc31)CC2 ZINC000822786035 607131449 /nfs/dbraw/zinc/13/14/49/607131449.db2.gz BOHBLSSUUQPWSH-UHFFFAOYSA-N -1 3 364.359 3.256 20 0 FGADHM Fc1ccc2c(c1F)CN(c1c(-c3nn[n-]n3)cnc3ccccc31)CC2 ZINC000822786035 607131452 /nfs/dbraw/zinc/13/14/52/607131452.db2.gz BOHBLSSUUQPWSH-UHFFFAOYSA-N -1 3 364.359 3.256 20 0 FGADHM CCC(=O)c1ccc(C(=O)Nc2sc(C)c(C)c2-c2nnn[n-]2)cc1 ZINC000820843047 607150368 /nfs/dbraw/zinc/15/03/68/607150368.db2.gz STUIAFVXUYSNPH-UHFFFAOYSA-N -1 3 355.423 3.390 20 0 FGADHM CCC(=O)c1ccc(C(=O)Nc2sc(C)c(C)c2-c2nn[n-]n2)cc1 ZINC000820843047 607150370 /nfs/dbraw/zinc/15/03/70/607150370.db2.gz STUIAFVXUYSNPH-UHFFFAOYSA-N -1 3 355.423 3.390 20 0 FGADHM C[C@@H](COc1ccccc1)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000820293787 607151624 /nfs/dbraw/zinc/15/16/24/607151624.db2.gz NVPRCEIDVGSZFW-NSHDSACASA-N -1 3 357.801 3.174 20 0 FGADHM C[C@@H](COc1ccccc1)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000820293787 607151626 /nfs/dbraw/zinc/15/16/26/607151626.db2.gz NVPRCEIDVGSZFW-NSHDSACASA-N -1 3 357.801 3.174 20 0 FGADHM O=C(NCCCF)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000823187110 607163862 /nfs/dbraw/zinc/16/38/62/607163862.db2.gz BHWLIAMIBOBXDQ-UHFFFAOYSA-N -1 3 357.414 3.107 20 0 FGADHM O=C(NCCCF)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000823187110 607163864 /nfs/dbraw/zinc/16/38/64/607163864.db2.gz BHWLIAMIBOBXDQ-UHFFFAOYSA-N -1 3 357.414 3.107 20 0 FGADHM Cc1ccc(NCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)c(Cl)c1 ZINC000822259253 607165068 /nfs/dbraw/zinc/16/50/68/607165068.db2.gz QYKIDGRNOAMDNQ-UHFFFAOYSA-N -1 3 367.800 3.491 20 0 FGADHM Cc1ccc(NCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)c(Cl)c1 ZINC000822259253 607165070 /nfs/dbraw/zinc/16/50/70/607165070.db2.gz QYKIDGRNOAMDNQ-UHFFFAOYSA-N -1 3 367.800 3.491 20 0 FGADHM c1cncc(-c2cccc(CN(c3ccc(-c4nnn[n-]4)nc3)C3CC3)c2)c1 ZINC000823816258 607176396 /nfs/dbraw/zinc/17/63/96/607176396.db2.gz QZZOYHPAGPLTCE-UHFFFAOYSA-N -1 3 369.432 3.493 20 0 FGADHM c1cncc(-c2cccc(CN(c3ccc(-c4nn[n-]n4)nc3)C3CC3)c2)c1 ZINC000823816258 607176397 /nfs/dbraw/zinc/17/63/97/607176397.db2.gz QZZOYHPAGPLTCE-UHFFFAOYSA-N -1 3 369.432 3.493 20 0 FGADHM Cc1ccc(OCC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc1C ZINC000822262579 607191024 /nfs/dbraw/zinc/19/10/24/607191024.db2.gz BOZIKGCKPNEUPI-UHFFFAOYSA-N -1 3 357.801 3.154 20 0 FGADHM Cc1ccc(OCC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc1C ZINC000822262579 607191025 /nfs/dbraw/zinc/19/10/25/607191025.db2.gz BOZIKGCKPNEUPI-UHFFFAOYSA-N -1 3 357.801 3.154 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc(F)c(Cl)c1 ZINC000821412335 607192418 /nfs/dbraw/zinc/19/24/18/607192418.db2.gz KCZGNRCFZZDZRM-UHFFFAOYSA-N -1 3 361.764 3.310 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(F)c(Cl)c1 ZINC000821412335 607192419 /nfs/dbraw/zinc/19/24/19/607192419.db2.gz KCZGNRCFZZDZRM-UHFFFAOYSA-N -1 3 361.764 3.310 20 0 FGADHM Cc1cc(CNC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)ccc1F ZINC000822199836 607202888 /nfs/dbraw/zinc/20/28/88/607202888.db2.gz JMSNKDKNHSLMNY-UHFFFAOYSA-N -1 3 360.780 3.289 20 0 FGADHM Cc1cc(CNC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)ccc1F ZINC000822199836 607202889 /nfs/dbraw/zinc/20/28/89/607202889.db2.gz JMSNKDKNHSLMNY-UHFFFAOYSA-N -1 3 360.780 3.289 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)Nc1ccc(F)cc1NC1CC1 ZINC000822934924 607223229 /nfs/dbraw/zinc/22/32/29/607223229.db2.gz DZWNEAVWXPHYIV-BJMVGYQFSA-N -1 3 364.384 3.232 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)Nc1ccc(F)cc1NC1CC1 ZINC000822934924 607223230 /nfs/dbraw/zinc/22/32/30/607223230.db2.gz DZWNEAVWXPHYIV-BJMVGYQFSA-N -1 3 364.384 3.232 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)c(N2CCC[C@H](c3nc4ccccc4o3)C2)n1 ZINC000822214993 607227279 /nfs/dbraw/zinc/22/72/79/607227279.db2.gz HLYQMPQWDQOAKJ-ZDUSSCGKSA-N -1 3 361.409 3.095 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)c(N2CCC[C@H](c3nc4ccccc4o3)C2)n1 ZINC000822214993 607227280 /nfs/dbraw/zinc/22/72/80/607227280.db2.gz HLYQMPQWDQOAKJ-ZDUSSCGKSA-N -1 3 361.409 3.095 20 0 FGADHM O[C@H](CNc1cc(-c2nnn[n-]2)ccc1C(F)(F)F)c1ccccc1F ZINC000823690834 607227989 /nfs/dbraw/zinc/22/79/89/607227989.db2.gz VWSCBYQDIYGTSR-CQSZACIVSA-N -1 3 367.306 3.170 20 0 FGADHM O[C@H](CNc1cc(-c2nn[n-]n2)ccc1C(F)(F)F)c1ccccc1F ZINC000823690834 607227990 /nfs/dbraw/zinc/22/79/90/607227990.db2.gz VWSCBYQDIYGTSR-CQSZACIVSA-N -1 3 367.306 3.170 20 0 FGADHM CC(C)(C)c1ccc(CC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000819959069 607238646 /nfs/dbraw/zinc/23/86/46/607238646.db2.gz XJOQBIHGLAVDDU-UHFFFAOYSA-N -1 3 353.401 3.485 20 0 FGADHM CC(C)(C)c1ccc(CC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000819959069 607238647 /nfs/dbraw/zinc/23/86/47/607238647.db2.gz XJOQBIHGLAVDDU-UHFFFAOYSA-N -1 3 353.401 3.485 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1cc(Cl)nc(Cl)c1 ZINC000823319812 607242583 /nfs/dbraw/zinc/24/25/83/607242583.db2.gz YRIRFUHWHVGXMC-UHFFFAOYSA-N -1 3 369.599 3.474 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1cc(Cl)nc(Cl)c1 ZINC000823319812 607242584 /nfs/dbraw/zinc/24/25/84/607242584.db2.gz YRIRFUHWHVGXMC-UHFFFAOYSA-N -1 3 369.599 3.474 20 0 FGADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)C1(c2ccc(F)cc2)CCC1 ZINC000823451008 607251059 /nfs/dbraw/zinc/25/10/59/607251059.db2.gz SBGUVIDBMILUFB-UHFFFAOYSA-N -1 3 356.332 3.172 20 0 FGADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)C1(c2ccc(F)cc2)CCC1 ZINC000823451008 607251060 /nfs/dbraw/zinc/25/10/60/607251060.db2.gz SBGUVIDBMILUFB-UHFFFAOYSA-N -1 3 356.332 3.172 20 0 FGADHM CC[C@@H](CC(=O)Nc1sccc1-c1nnn[n-]1)c1ccc(OC)cc1 ZINC000825082963 607782825 /nfs/dbraw/zinc/78/28/25/607782825.db2.gz WDHMULZZPRGWJP-NSHDSACASA-N -1 3 357.439 3.459 20 0 FGADHM CC[C@@H](CC(=O)Nc1sccc1-c1nn[n-]n1)c1ccc(OC)cc1 ZINC000825082963 607782826 /nfs/dbraw/zinc/78/28/26/607782826.db2.gz WDHMULZZPRGWJP-NSHDSACASA-N -1 3 357.439 3.459 20 0 FGADHM COc1cccc(OCCSCc2ccc(OC)c(-c3nn[n-]n3)c2)c1 ZINC000826217393 607784729 /nfs/dbraw/zinc/78/47/29/607784729.db2.gz KPGSLRLIQGSPLS-UHFFFAOYSA-N -1 3 372.450 3.196 20 0 FGADHM COc1cccc(OCCSCc2ccc(OC)c(-c3nnn[n-]3)c2)c1 ZINC000826217393 607784728 /nfs/dbraw/zinc/78/47/28/607784728.db2.gz KPGSLRLIQGSPLS-UHFFFAOYSA-N -1 3 372.450 3.196 20 0 FGADHM Fc1ccc(-c2nnn[n-]2)c(CSCc2nc(C3CCCC3)no2)c1 ZINC000826373292 607786114 /nfs/dbraw/zinc/78/61/14/607786114.db2.gz HGYAAYGOICLBQG-UHFFFAOYSA-N -1 3 360.418 3.480 20 0 FGADHM Fc1ccc(-c2nn[n-]n2)c(CSCc2nc(C3CCCC3)no2)c1 ZINC000826373292 607786115 /nfs/dbraw/zinc/78/61/15/607786115.db2.gz HGYAAYGOICLBQG-UHFFFAOYSA-N -1 3 360.418 3.480 20 0 FGADHM Fc1cc(-c2nnn[n-]2)ccc1CSCc1nc(C2CCCC2)no1 ZINC000826372483 607786150 /nfs/dbraw/zinc/78/61/50/607786150.db2.gz YNOPUYNEMRJZKV-UHFFFAOYSA-N -1 3 360.418 3.480 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1CSCc1nc(C2CCCC2)no1 ZINC000826372483 607786151 /nfs/dbraw/zinc/78/61/51/607786151.db2.gz YNOPUYNEMRJZKV-UHFFFAOYSA-N -1 3 360.418 3.480 20 0 FGADHM CN(C(=O)c1ccc(Oc2ccccc2)nc1)c1ccccc1-c1nnn[n-]1 ZINC000825829368 607788370 /nfs/dbraw/zinc/78/83/70/607788370.db2.gz CZYUGSBJKLQOGQ-UHFFFAOYSA-N -1 3 372.388 3.331 20 0 FGADHM CN(C(=O)c1ccc(Oc2ccccc2)nc1)c1ccccc1-c1nn[n-]n1 ZINC000825829368 607788371 /nfs/dbraw/zinc/78/83/71/607788371.db2.gz CZYUGSBJKLQOGQ-UHFFFAOYSA-N -1 3 372.388 3.331 20 0 FGADHM Cc1ccc(OCCCC(=O)N(C)c2ccccc2-c2nnn[n-]2)cc1C ZINC000826292289 607788562 /nfs/dbraw/zinc/78/85/62/607788562.db2.gz OVJMAWLWGPAMGN-UHFFFAOYSA-N -1 3 365.437 3.306 20 0 FGADHM Cc1ccc(OCCCC(=O)N(C)c2ccccc2-c2nn[n-]n2)cc1C ZINC000826292289 607788563 /nfs/dbraw/zinc/78/85/63/607788563.db2.gz OVJMAWLWGPAMGN-UHFFFAOYSA-N -1 3 365.437 3.306 20 0 FGADHM Cc1oc(-c2cccs2)nc1C(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC000826340965 607788633 /nfs/dbraw/zinc/78/86/33/607788633.db2.gz QGTIQASHRPNSNQ-UHFFFAOYSA-N -1 3 366.406 3.168 20 0 FGADHM Cc1oc(-c2cccs2)nc1C(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC000826340965 607788634 /nfs/dbraw/zinc/78/86/34/607788634.db2.gz QGTIQASHRPNSNQ-UHFFFAOYSA-N -1 3 366.406 3.168 20 0 FGADHM C[C@H](CSc1ccccc1)C(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC000824449939 607789588 /nfs/dbraw/zinc/78/95/88/607789588.db2.gz RAPHKWAEUGYHPR-CYBMUJFWSA-N -1 3 353.451 3.258 20 0 FGADHM C[C@H](CSc1ccccc1)C(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC000824449939 607789589 /nfs/dbraw/zinc/78/95/89/607789589.db2.gz RAPHKWAEUGYHPR-CYBMUJFWSA-N -1 3 353.451 3.258 20 0 FGADHM CC1(C)C[C@@H]1C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000824795877 607793705 /nfs/dbraw/zinc/79/37/05/607793705.db2.gz HOQGYCIFYJWLOW-CQSZACIVSA-N -1 3 350.382 3.039 20 0 FGADHM CCN(C(=O)CCc1cc(F)ccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000825371811 607796595 /nfs/dbraw/zinc/79/65/95/607796595.db2.gz MJQJHADBYDFZCZ-UHFFFAOYSA-N -1 3 357.364 3.131 20 0 FGADHM CCN(C(=O)CCc1cc(F)ccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000825371811 607796596 /nfs/dbraw/zinc/79/65/96/607796596.db2.gz MJQJHADBYDFZCZ-UHFFFAOYSA-N -1 3 357.364 3.131 20 0 FGADHM CCN(C(=O)[C@@H]1SCCc2sccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000825366853 607797153 /nfs/dbraw/zinc/79/71/53/607797153.db2.gz HABHSMKFAFHTKT-OAHLLOKOSA-N -1 3 371.491 3.312 20 0 FGADHM CCN(C(=O)[C@@H]1SCCc2sccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000825366853 607797154 /nfs/dbraw/zinc/79/71/54/607797154.db2.gz HABHSMKFAFHTKT-OAHLLOKOSA-N -1 3 371.491 3.312 20 0 FGADHM CCN(C(=O)[C@H]1C[C@H]1c1c(F)cccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367136 607797298 /nfs/dbraw/zinc/79/72/98/607797298.db2.gz JPQYSUXEQLYTOU-KGLIPLIRSA-N -1 3 369.375 3.302 20 0 FGADHM CCN(C(=O)[C@H]1C[C@H]1c1c(F)cccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367136 607797299 /nfs/dbraw/zinc/79/72/99/607797299.db2.gz JPQYSUXEQLYTOU-KGLIPLIRSA-N -1 3 369.375 3.302 20 0 FGADHM CC1(c2ccccc2)CCN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824843145 607803012 /nfs/dbraw/zinc/80/30/12/607803012.db2.gz AMSRXSXYDFRWEI-UHFFFAOYSA-N -1 3 362.437 3.452 20 0 FGADHM CC1(c2ccccc2)CCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824843145 607803013 /nfs/dbraw/zinc/80/30/13/607803013.db2.gz AMSRXSXYDFRWEI-UHFFFAOYSA-N -1 3 362.437 3.452 20 0 FGADHM CC(=O)c1c(C)[nH]c(C(=O)OCc2ccccc2-c2nnn[n-]2)c1C(C)C ZINC000824010656 607805279 /nfs/dbraw/zinc/80/52/79/607805279.db2.gz OTQUGSIWSWPYHY-UHFFFAOYSA-N -1 3 367.409 3.186 20 0 FGADHM CC(=O)c1c(C)[nH]c(C(=O)OCc2ccccc2-c2nn[n-]n2)c1C(C)C ZINC000824010656 607805280 /nfs/dbraw/zinc/80/52/80/607805280.db2.gz OTQUGSIWSWPYHY-UHFFFAOYSA-N -1 3 367.409 3.186 20 0 FGADHM C[C@H](Cc1ccccc1Cl)C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000824456957 607829419 /nfs/dbraw/zinc/82/94/19/607829419.db2.gz BRHFSRDAXWHZGV-GFCCVEGCSA-N -1 3 355.829 3.362 20 0 FGADHM C[C@H](Cc1ccccc1Cl)C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000824456957 607829420 /nfs/dbraw/zinc/82/94/20/607829420.db2.gz BRHFSRDAXWHZGV-GFCCVEGCSA-N -1 3 355.829 3.362 20 0 FGADHM O=C(Nc1ccc(Cl)nc1)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000826453368 607833855 /nfs/dbraw/zinc/83/38/55/607833855.db2.gz INUHCWZBRACGQL-UHFFFAOYSA-N -1 3 369.599 3.474 20 0 FGADHM O=C(Nc1ccc(Cl)nc1)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000826453368 607833856 /nfs/dbraw/zinc/83/38/56/607833856.db2.gz INUHCWZBRACGQL-UHFFFAOYSA-N -1 3 369.599 3.474 20 0 FGADHM CCN(C(=O)c1ccnc(Cl)c1F)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825385348 607833954 /nfs/dbraw/zinc/83/39/54/607833954.db2.gz CWOZYBSXMKMXTC-JTQLQIEISA-N -1 3 374.807 3.278 20 0 FGADHM CCN(C(=O)c1ccnc(Cl)c1F)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825385348 607833955 /nfs/dbraw/zinc/83/39/55/607833955.db2.gz CWOZYBSXMKMXTC-JTQLQIEISA-N -1 3 374.807 3.278 20 0 FGADHM C[C@H]1CN(c2ccc3cc(-c4nnn[n-]4)ccc3n2)C[C@H](c2ccccc2)O1 ZINC000824999122 607840318 /nfs/dbraw/zinc/84/03/18/607840318.db2.gz CNTYPGRJNDMMMM-IFXJQAMLSA-N -1 3 372.432 3.381 20 0 FGADHM C[C@H]1CN(c2ccc3cc(-c4nn[n-]n4)ccc3n2)C[C@H](c2ccccc2)O1 ZINC000824999122 607840319 /nfs/dbraw/zinc/84/03/19/607840319.db2.gz CNTYPGRJNDMMMM-IFXJQAMLSA-N -1 3 372.432 3.381 20 0 FGADHM CCC(=O)c1cc(Cl)ccc1OC[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825033933 607871539 /nfs/dbraw/zinc/87/15/39/607871539.db2.gz AEOCGCAMGLYBRL-MRXNPFEDSA-N -1 3 372.812 3.225 20 0 FGADHM CCC(=O)c1cc(Cl)ccc1OC[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825033933 607871540 /nfs/dbraw/zinc/87/15/40/607871540.db2.gz AEOCGCAMGLYBRL-MRXNPFEDSA-N -1 3 372.812 3.225 20 0 FGADHM CCc1ccc([C@@H]2CCCN2C(=O)c2ncc(-c3nnn[n-]3)cc2Cl)o1 ZINC000825705101 607879282 /nfs/dbraw/zinc/87/92/82/607879282.db2.gz WBOZJPMIIFIMFM-ZDUSSCGKSA-N -1 3 372.816 3.048 20 0 FGADHM CCc1ccc([C@@H]2CCCN2C(=O)c2ncc(-c3nn[n-]n3)cc2Cl)o1 ZINC000825705101 607879283 /nfs/dbraw/zinc/87/92/83/607879283.db2.gz WBOZJPMIIFIMFM-ZDUSSCGKSA-N -1 3 372.816 3.048 20 0 FGADHM CC(C)[C@@H](C(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1 ZINC000824185408 607881015 /nfs/dbraw/zinc/88/10/15/607881015.db2.gz YSIALJLWUMNTBD-GOSISDBHSA-N -1 3 367.428 3.404 20 0 FGADHM CC(C)[C@@H](C(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1 ZINC000824185408 607881016 /nfs/dbraw/zinc/88/10/16/607881016.db2.gz YSIALJLWUMNTBD-GOSISDBHSA-N -1 3 367.428 3.404 20 0 FGADHM Cc1cc(C(=O)Cn2ccc(-c3nnn[n-]3)c2)c(C)n1Cc1cccs1 ZINC000826256930 607891480 /nfs/dbraw/zinc/89/14/80/607891480.db2.gz GSNMQIFFYVOTFU-UHFFFAOYSA-N -1 3 366.450 3.079 20 0 FGADHM Cc1cc(C(=O)Cn2ccc(-c3nn[n-]n3)c2)c(C)n1Cc1cccs1 ZINC000826256930 607891481 /nfs/dbraw/zinc/89/14/81/607891481.db2.gz GSNMQIFFYVOTFU-UHFFFAOYSA-N -1 3 366.450 3.079 20 0 FGADHM CCOc1ccc(SCc2cccc(C(=O)OC)c2-c2nnn[n-]2)cc1 ZINC000825643928 607892973 /nfs/dbraw/zinc/89/29/73/607892973.db2.gz WVGQBEJHLROEGO-UHFFFAOYSA-N -1 3 370.434 3.344 20 0 FGADHM CCOc1ccc(SCc2cccc(C(=O)OC)c2-c2nn[n-]n2)cc1 ZINC000825643928 607892974 /nfs/dbraw/zinc/89/29/74/607892974.db2.gz WVGQBEJHLROEGO-UHFFFAOYSA-N -1 3 370.434 3.344 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1N1CCC[C@H]1Cn1cnc2ccccc21 ZINC000826372330 607905695 /nfs/dbraw/zinc/90/56/95/607905695.db2.gz RTIYSPCELUDJHT-AWEZNQCLSA-N -1 3 363.400 3.025 20 0 FGADHM CC(C)CSCCCNC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000824274512 607911586 /nfs/dbraw/zinc/91/15/86/607911586.db2.gz JBEPHUBNOWSAKX-ZDUSSCGKSA-N -1 3 362.503 3.006 20 0 FGADHM CC(C)CSCCCNC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000824274512 607911587 /nfs/dbraw/zinc/91/15/87/607911587.db2.gz JBEPHUBNOWSAKX-ZDUSSCGKSA-N -1 3 362.503 3.006 20 0 FGADHM CN(C(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1)[C@H]1CCSC1 ZINC000825830831 607918873 /nfs/dbraw/zinc/91/88/73/607918873.db2.gz ZFHUZQRZMWDVOV-ZDUSSCGKSA-N -1 3 365.462 3.111 20 0 FGADHM CN(C(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1)[C@H]1CCSC1 ZINC000825830831 607918874 /nfs/dbraw/zinc/91/88/74/607918874.db2.gz ZFHUZQRZMWDVOV-ZDUSSCGKSA-N -1 3 365.462 3.111 20 0 FGADHM Cc1cccc(NC(=S)N2CCc3ccc(-c4nnn[n-]4)cc32)c1C ZINC000826299456 607930530 /nfs/dbraw/zinc/93/05/30/607930530.db2.gz GFUSNYGZYYYZBT-UHFFFAOYSA-N -1 3 350.451 3.243 20 0 FGADHM Cc1cccc(NC(=S)N2CCc3ccc(-c4nn[n-]n4)cc32)c1C ZINC000826299456 607930531 /nfs/dbraw/zinc/93/05/31/607930531.db2.gz GFUSNYGZYYYZBT-UHFFFAOYSA-N -1 3 350.451 3.243 20 0 FGADHM Cc1cc2nc(N3CCc4ccc(-c5nnn[n-]5)cc43)c3ccccc3n2n1 ZINC000826272777 607935545 /nfs/dbraw/zinc/93/55/45/607935545.db2.gz ALLJMZZJSZFNQY-UHFFFAOYSA-N -1 3 368.404 3.065 20 0 FGADHM Cc1cc2nc(N3CCc4ccc(-c5nn[n-]n5)cc43)c3ccccc3n2n1 ZINC000826272777 607935546 /nfs/dbraw/zinc/93/55/46/607935546.db2.gz ALLJMZZJSZFNQY-UHFFFAOYSA-N -1 3 368.404 3.065 20 0 FGADHM c1ccc(N2Cc3cccc(NCc4cccc(-c5nnn[n-]5)c4)c3C2)nc1 ZINC000826521927 607939521 /nfs/dbraw/zinc/93/95/21/607939521.db2.gz DIYJRGFUNCIOQI-UHFFFAOYSA-N -1 3 369.432 3.394 20 0 FGADHM c1ccc(N2Cc3cccc(NCc4cccc(-c5nn[n-]n5)c4)c3C2)nc1 ZINC000826521927 607939522 /nfs/dbraw/zinc/93/95/22/607939522.db2.gz DIYJRGFUNCIOQI-UHFFFAOYSA-N -1 3 369.432 3.394 20 0 FGADHM O=C(CCSc1ccccc1F)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826408241 607950327 /nfs/dbraw/zinc/95/03/27/607950327.db2.gz WUZFPGSSEPJNQL-UHFFFAOYSA-N -1 3 369.425 3.077 20 0 FGADHM O=C(CCSc1ccccc1F)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826408241 607950328 /nfs/dbraw/zinc/95/03/28/607950328.db2.gz WUZFPGSSEPJNQL-UHFFFAOYSA-N -1 3 369.425 3.077 20 0 FGADHM Cc1nc(CC(C)C)sc1C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826324763 607952540 /nfs/dbraw/zinc/95/25/40/607952540.db2.gz DGDHSHMGGPPHFG-UHFFFAOYSA-N -1 3 368.466 3.033 20 0 FGADHM Cc1nc(CC(C)C)sc1C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826324763 607952541 /nfs/dbraw/zinc/95/25/41/607952541.db2.gz DGDHSHMGGPPHFG-UHFFFAOYSA-N -1 3 368.466 3.033 20 0 FGADHM O=C(Cc1ccccc1C(F)(F)F)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826423248 607952877 /nfs/dbraw/zinc/95/28/77/607952877.db2.gz FUULDBUCQDLCJE-UHFFFAOYSA-N -1 3 373.338 3.017 20 0 FGADHM O=C(Cc1ccccc1C(F)(F)F)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826423248 607952878 /nfs/dbraw/zinc/95/28/78/607952878.db2.gz FUULDBUCQDLCJE-UHFFFAOYSA-N -1 3 373.338 3.017 20 0 FGADHM O=C(c1cc(Cl)ccc1Cl)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826470486 607953012 /nfs/dbraw/zinc/95/30/12/607953012.db2.gz RMSSEXCOBMZHOY-UHFFFAOYSA-N -1 3 360.204 3.376 20 0 FGADHM O=C(c1cc(Cl)ccc1Cl)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826470486 607953013 /nfs/dbraw/zinc/95/30/13/607953013.db2.gz RMSSEXCOBMZHOY-UHFFFAOYSA-N -1 3 360.204 3.376 20 0 FGADHM O=C([C@H]1CCC[C@H](C(F)(F)F)C1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826398968 607953351 /nfs/dbraw/zinc/95/33/51/607953351.db2.gz JKIGRDVZWUIJOM-STQMWFEESA-N -1 3 365.359 3.125 20 0 FGADHM O=C([C@H]1CCC[C@H](C(F)(F)F)C1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826398968 607953352 /nfs/dbraw/zinc/95/33/52/607953352.db2.gz JKIGRDVZWUIJOM-STQMWFEESA-N -1 3 365.359 3.125 20 0 FGADHM C[C@H]1C[C@@H]1c1ccc(CCC(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)o1 ZINC000824900011 607954137 /nfs/dbraw/zinc/95/41/37/607954137.db2.gz RJVWIGAQCQVWCJ-LRDDRELGSA-N -1 3 363.421 3.105 20 0 FGADHM C[C@H]1C[C@@H]1c1ccc(CCC(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)o1 ZINC000824900011 607954138 /nfs/dbraw/zinc/95/41/38/607954138.db2.gz RJVWIGAQCQVWCJ-LRDDRELGSA-N -1 3 363.421 3.105 20 0 FGADHM O=C(N[C@H]1C[C@H]1c1ccccc1)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000826429064 607964331 /nfs/dbraw/zinc/96/43/31/607964331.db2.gz TVDVOPUMPMQLMA-FZMZJTMJSA-N -1 3 374.231 3.459 20 0 FGADHM O=C(N[C@H]1C[C@H]1c1ccccc1)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000826429064 607964332 /nfs/dbraw/zinc/96/43/32/607964332.db2.gz TVDVOPUMPMQLMA-FZMZJTMJSA-N -1 3 374.231 3.459 20 0 FGADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1-c1cccc(-n2cccn2)c1 ZINC000825782710 607975160 /nfs/dbraw/zinc/97/51/60/607975160.db2.gz MOHRQGIOJVVJCE-UHFFFAOYSA-N -1 3 356.393 3.089 20 0 FGADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1cccc(-n2cccn2)c1 ZINC000825782710 607975161 /nfs/dbraw/zinc/97/51/61/607975161.db2.gz MOHRQGIOJVVJCE-UHFFFAOYSA-N -1 3 356.393 3.089 20 0 FGADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1-c1cnn(-c2ccc(F)cc2)c1 ZINC000825782785 607975225 /nfs/dbraw/zinc/97/52/25/607975225.db2.gz PEYNQUMKWYWTQD-UHFFFAOYSA-N -1 3 374.383 3.228 20 0 FGADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1cnn(-c2ccc(F)cc2)c1 ZINC000825782785 607975226 /nfs/dbraw/zinc/97/52/26/607975226.db2.gz PEYNQUMKWYWTQD-UHFFFAOYSA-N -1 3 374.383 3.228 20 0 FGADHM Cc1ccc(-c2ncco2)cc1NC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000826273395 607976806 /nfs/dbraw/zinc/97/68/06/607976806.db2.gz BSTHZHHWMAMOTJ-UHFFFAOYSA-N -1 3 361.365 3.474 20 0 FGADHM Cc1ccc(-c2ncco2)cc1NC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000826273395 607976807 /nfs/dbraw/zinc/97/68/07/607976807.db2.gz BSTHZHHWMAMOTJ-UHFFFAOYSA-N -1 3 361.365 3.474 20 0 FGADHM CC(=Cc1ccc(Cl)cc1)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000823943176 607981580 /nfs/dbraw/zinc/98/15/80/607981580.db2.gz OTVAHLJWMFBFHK-DHZHZOJOSA-N -1 3 371.803 3.379 20 0 FGADHM CC(=Cc1ccc(Cl)cc1)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000823943176 607981581 /nfs/dbraw/zinc/98/15/81/607981581.db2.gz OTVAHLJWMFBFHK-DHZHZOJOSA-N -1 3 371.803 3.379 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)C1CCC(F)(F)CC1 ZINC000825333445 607985397 /nfs/dbraw/zinc/98/53/97/607985397.db2.gz YOUSTECPDYWCMT-UHFFFAOYSA-N -1 3 364.400 3.453 20 0 FGADHM C[C@@H](OC(=O)c1cnc2ccc(F)cc2c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824721734 607992485 /nfs/dbraw/zinc/99/24/85/607992485.db2.gz DAMIRJWKUNOSPP-LLVKDONJSA-N -1 3 363.352 3.472 20 0 FGADHM C[C@@H](OC(=O)c1cnc2ccc(F)cc2c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824721734 607992486 /nfs/dbraw/zinc/99/24/86/607992486.db2.gz DAMIRJWKUNOSPP-LLVKDONJSA-N -1 3 363.352 3.472 20 0 FGADHM COc1cc(C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)ccc1Cl ZINC000826177763 607993129 /nfs/dbraw/zinc/99/31/29/607993129.db2.gz UPAYDEJQDMNQDS-SNVBAGLBSA-N -1 3 358.785 3.447 20 0 FGADHM COc1cc(C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)ccc1Cl ZINC000826177763 607993130 /nfs/dbraw/zinc/99/31/30/607993130.db2.gz UPAYDEJQDMNQDS-SNVBAGLBSA-N -1 3 358.785 3.447 20 0 FGADHM CCN(C(=O)c1ccc(Cl)c(OC)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825385476 608005782 /nfs/dbraw/zinc/00/57/82/608005782.db2.gz HGBFOBLNBASQRF-UHFFFAOYSA-N -1 3 357.801 3.195 20 0 FGADHM CCN(C(=O)c1ccc(Cl)c(OC)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825385476 608005783 /nfs/dbraw/zinc/00/57/83/608005783.db2.gz HGBFOBLNBASQRF-UHFFFAOYSA-N -1 3 357.801 3.195 20 0 FGADHM Cn1c2ccc(NCc3ccc(-c4nnn[n-]4)o3)cc2nc1C(C)(C)C ZINC000826355117 608028354 /nfs/dbraw/zinc/02/83/54/608028354.db2.gz KOCXTKOACUJXGC-UHFFFAOYSA-N -1 3 351.414 3.256 20 0 FGADHM Cn1c2ccc(NCc3ccc(-c4nn[n-]n4)o3)cc2nc1C(C)(C)C ZINC000826355117 608028355 /nfs/dbraw/zinc/02/83/55/608028355.db2.gz KOCXTKOACUJXGC-UHFFFAOYSA-N -1 3 351.414 3.256 20 0 FGADHM C[C@@H](OC(=O)c1cnc([C@@H]2CCCO2)s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824722600 608028669 /nfs/dbraw/zinc/02/86/69/608028669.db2.gz JPMAMYSBCRZDIQ-MFKMUULPSA-N -1 3 371.422 3.093 20 0 FGADHM C[C@@H](OC(=O)c1cnc([C@@H]2CCCO2)s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824722600 608028670 /nfs/dbraw/zinc/02/86/70/608028670.db2.gz JPMAMYSBCRZDIQ-MFKMUULPSA-N -1 3 371.422 3.093 20 0 FGADHM Cc1cc(C)n(C[C@H]2CCCCN2c2ccc(-c3nnn[n-]3)c(Cl)c2)n1 ZINC000826265158 608049406 /nfs/dbraw/zinc/04/94/06/608049406.db2.gz NVMSILYXPGNIAL-OAHLLOKOSA-N -1 3 371.876 3.393 20 0 FGADHM Cc1cc(C)n(C[C@H]2CCCCN2c2ccc(-c3nn[n-]n3)c(Cl)c2)n1 ZINC000826265158 608049407 /nfs/dbraw/zinc/04/94/07/608049407.db2.gz NVMSILYXPGNIAL-OAHLLOKOSA-N -1 3 371.876 3.393 20 0 FGADHM Cc1ccccc1[C@H](O)CNc1ccc(-c2nn[n-]n2)cc1Br ZINC000826306451 608050343 /nfs/dbraw/zinc/05/03/43/608050343.db2.gz ZEUJBMATSRHRRE-OAHLLOKOSA-N -1 3 374.242 3.083 20 0 FGADHM CS[C@H]1CCCCN(c2ccc(-c3nn[n-]n3)cc2Br)C1 ZINC000826226932 608051422 /nfs/dbraw/zinc/05/14/22/608051422.db2.gz ITNNSJSFWKDSJY-NSHDSACASA-N -1 3 368.304 3.351 20 0 FGADHM CCC(CC)[C@@H](C)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000825097117 608061893 /nfs/dbraw/zinc/06/18/93/608061893.db2.gz UBTSYHHRUSEOJP-SECBINFHSA-N -1 3 353.373 3.479 20 0 FGADHM CCC(CC)[C@@H](C)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000825097117 608061894 /nfs/dbraw/zinc/06/18/94/608061894.db2.gz UBTSYHHRUSEOJP-SECBINFHSA-N -1 3 353.373 3.479 20 0 FGADHM C[C@@H](OC(=O)c1cccc([C@@H]2CCOC2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824722940 608067069 /nfs/dbraw/zinc/06/70/69/608067069.db2.gz KNEHOOMKHRIMHL-FZKQIMNGSA-N -1 3 364.405 3.289 20 0 FGADHM C[C@@H](OC(=O)c1cccc([C@@H]2CCOC2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824722940 608067070 /nfs/dbraw/zinc/06/70/70/608067070.db2.gz KNEHOOMKHRIMHL-FZKQIMNGSA-N -1 3 364.405 3.289 20 0 FGADHM C[C@@H](OC(=O)c1cccc([C@@H]2CCOC2)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824721950 608075349 /nfs/dbraw/zinc/07/53/49/608075349.db2.gz FSZNGKBDDOZCCS-FZKQIMNGSA-N -1 3 364.405 3.289 20 0 FGADHM C[C@@H](OC(=O)c1cccc([C@@H]2CCOC2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824721950 608075350 /nfs/dbraw/zinc/07/53/50/608075350.db2.gz FSZNGKBDDOZCCS-FZKQIMNGSA-N -1 3 364.405 3.289 20 0 FGADHM CCCCC[C@@H](C)CC(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000825266339 608084544 /nfs/dbraw/zinc/08/45/44/608084544.db2.gz FFMCOLZWCQKDKB-CRAIPNDOSA-N -1 3 371.485 3.373 20 0 FGADHM CCCCC[C@@H](C)CC(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000825266339 608084545 /nfs/dbraw/zinc/08/45/45/608084545.db2.gz FFMCOLZWCQKDKB-CRAIPNDOSA-N -1 3 371.485 3.373 20 0 FGADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)c1ccccc1NCc1ccco1 ZINC000826443000 608115785 /nfs/dbraw/zinc/11/57/85/608115785.db2.gz VVCOZARIVQFNBX-UHFFFAOYSA-N -1 3 374.404 3.002 20 0 FGADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)c1ccccc1NCc1ccco1 ZINC000826443000 608115786 /nfs/dbraw/zinc/11/57/86/608115786.db2.gz VVCOZARIVQFNBX-UHFFFAOYSA-N -1 3 374.404 3.002 20 0 FGADHM C[C@@H](C[C@H](O)c1ccco1)Nc1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000824393849 608123372 /nfs/dbraw/zinc/12/33/72/608123372.db2.gz URCSFWYGQRUKJX-ZANVPECISA-N -1 3 367.331 3.403 20 0 FGADHM C[C@@H](C[C@H](O)c1ccco1)Nc1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000824393849 608123373 /nfs/dbraw/zinc/12/33/73/608123373.db2.gz URCSFWYGQRUKJX-ZANVPECISA-N -1 3 367.331 3.403 20 0 FGADHM CC(C)(C)OC(=O)c1ccc(C(=O)Nc2sccc2-c2nnn[n-]2)cc1 ZINC000824114487 608147935 /nfs/dbraw/zinc/14/79/35/608147935.db2.gz UEIMWPCOTJIFRZ-UHFFFAOYSA-N -1 3 371.422 3.136 20 0 FGADHM CC(C)(C)OC(=O)c1ccc(C(=O)Nc2sccc2-c2nn[n-]n2)cc1 ZINC000824114487 608147936 /nfs/dbraw/zinc/14/79/36/608147936.db2.gz UEIMWPCOTJIFRZ-UHFFFAOYSA-N -1 3 371.422 3.136 20 0 FGADHM C[C@H]1CCC[C@H](CSCC(=O)NCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000824930013 608155201 /nfs/dbraw/zinc/15/52/01/608155201.db2.gz ZGYGASSUPQTOFQ-ZFWWWQNUSA-N -1 3 359.499 3.042 20 0 FGADHM C[C@H]1CCC[C@H](CSCC(=O)NCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000824930013 608155202 /nfs/dbraw/zinc/15/52/02/608155202.db2.gz ZGYGASSUPQTOFQ-ZFWWWQNUSA-N -1 3 359.499 3.042 20 0 FGADHM Cc1ccc(F)c([C@@H](C)OC(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)c1 ZINC000826289107 608165355 /nfs/dbraw/zinc/16/53/55/608165355.db2.gz KSJCMLPZCMBXCN-OLZOCXBDSA-N -1 3 370.384 3.386 20 0 FGADHM Cc1ccc(F)c([C@@H](C)OC(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)c1 ZINC000826289107 608165356 /nfs/dbraw/zinc/16/53/56/608165356.db2.gz KSJCMLPZCMBXCN-OLZOCXBDSA-N -1 3 370.384 3.386 20 0 FGADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)[C@@H](C)c1ccsc1 ZINC000825788371 608177176 /nfs/dbraw/zinc/17/71/76/608177176.db2.gz OWPYSDRBTQEUDM-JTQLQIEISA-N -1 3 367.438 3.040 20 0 FGADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)[C@@H](C)c1ccsc1 ZINC000825788371 608177177 /nfs/dbraw/zinc/17/71/77/608177177.db2.gz OWPYSDRBTQEUDM-JTQLQIEISA-N -1 3 367.438 3.040 20 0 FGADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)C=C(C)c1ccccc1 ZINC000825789367 608177186 /nfs/dbraw/zinc/17/71/86/608177186.db2.gz ZWFIJJOIQYVKLF-ACCUITESSA-N -1 3 373.420 3.278 20 0 FGADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)C=C(C)c1ccccc1 ZINC000825789367 608177187 /nfs/dbraw/zinc/17/71/87/608177187.db2.gz ZWFIJJOIQYVKLF-ACCUITESSA-N -1 3 373.420 3.278 20 0 FGADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)c1nc(C2CC2)ns1 ZINC000824261252 608179799 /nfs/dbraw/zinc/17/97/99/608179799.db2.gz GLRDSLBVFSHCLH-UHFFFAOYSA-N -1 3 355.471 3.258 20 0 FGADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)c1nc(C2CC2)ns1 ZINC000824261252 608179802 /nfs/dbraw/zinc/17/98/02/608179802.db2.gz GLRDSLBVFSHCLH-UHFFFAOYSA-N -1 3 355.471 3.258 20 0 FGADHM O=C(OCc1ccccc1N1CCCCC1)c1cc(-c2nnn[n-]2)cs1 ZINC000826467320 608200377 /nfs/dbraw/zinc/20/03/77/608200377.db2.gz QQZKJNLHQAWDNE-UHFFFAOYSA-N -1 3 369.450 3.276 20 0 FGADHM O=C(OCc1ccccc1N1CCCCC1)c1cc(-c2nn[n-]n2)cs1 ZINC000826467320 608200379 /nfs/dbraw/zinc/20/03/79/608200379.db2.gz QQZKJNLHQAWDNE-UHFFFAOYSA-N -1 3 369.450 3.276 20 0 FGADHM C[C@H](OC(=O)c1cccnc1C(F)(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000824723988 608201296 /nfs/dbraw/zinc/20/12/96/608201296.db2.gz WPHJSIZTMMSNRH-VIFPVBQESA-N -1 3 363.299 3.199 20 0 FGADHM C[C@H](OC(=O)c1cccnc1C(F)(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000824723988 608201297 /nfs/dbraw/zinc/20/12/97/608201297.db2.gz WPHJSIZTMMSNRH-VIFPVBQESA-N -1 3 363.299 3.199 20 0 FGADHM Cc1cccc(OCCCC(=O)OCc2ccccc2-c2nnn[n-]2)c1 ZINC000826299935 608244772 /nfs/dbraw/zinc/24/47/72/608244772.db2.gz BNJOICSVQTWFBU-UHFFFAOYSA-N -1 3 352.394 3.078 20 0 FGADHM Cc1cccc(OCCCC(=O)OCc2ccccc2-c2nn[n-]n2)c1 ZINC000826299935 608244774 /nfs/dbraw/zinc/24/47/74/608244774.db2.gz BNJOICSVQTWFBU-UHFFFAOYSA-N -1 3 352.394 3.078 20 0 FGADHM CCCn1ncc(C(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1C1CC1 ZINC000825363160 608246501 /nfs/dbraw/zinc/24/65/01/608246501.db2.gz VEPWYDDGLIRBJU-GFCCVEGCSA-N -1 3 366.425 3.269 20 0 FGADHM CCCn1ncc(C(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1C1CC1 ZINC000825363160 608246503 /nfs/dbraw/zinc/24/65/03/608246503.db2.gz VEPWYDDGLIRBJU-GFCCVEGCSA-N -1 3 366.425 3.269 20 0 FGADHM CCCn1ncc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2C)c1C1CC1 ZINC000825363251 608248410 /nfs/dbraw/zinc/24/84/10/608248410.db2.gz WGKINSHZBDVHNF-UHFFFAOYSA-N -1 3 366.425 3.016 20 0 FGADHM CCCn1ncc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2C)c1C1CC1 ZINC000825363251 608248411 /nfs/dbraw/zinc/24/84/11/608248411.db2.gz WGKINSHZBDVHNF-UHFFFAOYSA-N -1 3 366.425 3.016 20 0 FGADHM COc1ccc(COC(=O)c2ccc(Cl)c(F)c2)cc1-c1nnn[n-]1 ZINC000826206120 608254120 /nfs/dbraw/zinc/25/41/20/608254120.db2.gz DVSKRFOCRNSLLE-UHFFFAOYSA-N -1 3 362.748 3.025 20 0 FGADHM COc1ccc(COC(=O)c2ccc(Cl)c(F)c2)cc1-c1nn[n-]n1 ZINC000826206120 608254121 /nfs/dbraw/zinc/25/41/21/608254121.db2.gz DVSKRFOCRNSLLE-UHFFFAOYSA-N -1 3 362.748 3.025 20 0 FGADHM Cc1sc(NC(=O)Cc2ccc(Cl)nc2C)c(-c2nnn[n-]2)c1C ZINC000826326739 608265222 /nfs/dbraw/zinc/26/52/22/608265222.db2.gz BXMDXTYMPVRSAE-UHFFFAOYSA-N -1 3 362.846 3.083 20 0 FGADHM Cc1sc(NC(=O)Cc2ccc(Cl)nc2C)c(-c2nn[n-]n2)c1C ZINC000826326739 608265225 /nfs/dbraw/zinc/26/52/25/608265225.db2.gz BXMDXTYMPVRSAE-UHFFFAOYSA-N -1 3 362.846 3.083 20 0 FGADHM Cc1ccc(F)c(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCC3)c1F ZINC000826288935 608265326 /nfs/dbraw/zinc/26/53/26/608265326.db2.gz CIYVLZWNLMGTKC-UHFFFAOYSA-N -1 3 361.377 3.256 20 0 FGADHM Cc1ccc(F)c(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)c1F ZINC000826288935 608265328 /nfs/dbraw/zinc/26/53/28/608265328.db2.gz CIYVLZWNLMGTKC-UHFFFAOYSA-N -1 3 361.377 3.256 20 0 FGADHM CCOc1cccc(CNc2nc3c(cc2-c2nnn[n-]2)CCCC3)c1 ZINC000825649639 608275359 /nfs/dbraw/zinc/27/53/59/608275359.db2.gz TXMCFZZTRMAWOU-UHFFFAOYSA-N -1 3 350.426 3.151 20 0 FGADHM CCOc1cccc(CNc2nc3c(cc2-c2nn[n-]n2)CCCC3)c1 ZINC000825649639 608275361 /nfs/dbraw/zinc/27/53/61/608275361.db2.gz TXMCFZZTRMAWOU-UHFFFAOYSA-N -1 3 350.426 3.151 20 0 FGADHM CC(C)(C)OCc1ccccc1C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000824119748 608292417 /nfs/dbraw/zinc/29/24/17/608292417.db2.gz PLPQVCOCWAJKAF-UHFFFAOYSA-N -1 3 365.437 3.112 20 0 FGADHM CC(C)(C)OCc1ccccc1C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000824119748 608292420 /nfs/dbraw/zinc/29/24/20/608292420.db2.gz PLPQVCOCWAJKAF-UHFFFAOYSA-N -1 3 365.437 3.112 20 0 FGADHM Cc1nnc(CSCc2ccc(-c3nnn[n-]3)cc2OC(F)F)s1 ZINC000826336133 608300093 /nfs/dbraw/zinc/30/00/93/608300093.db2.gz OGLZMPIOGFGONR-UHFFFAOYSA-N -1 3 370.410 3.061 20 0 FGADHM Cc1nnc(CSCc2ccc(-c3nn[n-]n3)cc2OC(F)F)s1 ZINC000826336133 608300095 /nfs/dbraw/zinc/30/00/95/608300095.db2.gz OGLZMPIOGFGONR-UHFFFAOYSA-N -1 3 370.410 3.061 20 0 FGADHM Fc1ccc2c(c1)CCC[C@@H]2Nc1nc2c(cc1-c1nnn[n-]1)CCC2 ZINC000826375889 608306776 /nfs/dbraw/zinc/30/67/76/608306776.db2.gz GBOTWUHELRNNDZ-KRWDZBQOSA-N -1 3 350.401 3.379 20 0 FGADHM Fc1ccc2c(c1)CCC[C@@H]2Nc1nc2c(cc1-c1nn[n-]n1)CCC2 ZINC000826375889 608306778 /nfs/dbraw/zinc/30/67/78/608306778.db2.gz GBOTWUHELRNNDZ-KRWDZBQOSA-N -1 3 350.401 3.379 20 0 FGADHM C[C@H](NC(=O)N[C@@H](C)c1cccc(F)c1F)c1cccc(-c2nnn[n-]2)c1 ZINC000824492051 608312656 /nfs/dbraw/zinc/31/26/56/608312656.db2.gz XEKSITZXKIWXAQ-QWRGUYRKSA-N -1 3 372.379 3.266 20 0 FGADHM C[C@H](NC(=O)N[C@@H](C)c1cccc(F)c1F)c1cccc(-c2nn[n-]n2)c1 ZINC000824492051 608312659 /nfs/dbraw/zinc/31/26/59/608312659.db2.gz XEKSITZXKIWXAQ-QWRGUYRKSA-N -1 3 372.379 3.266 20 0 FGADHM CCN(C(=O)c1scnc1Cl)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825390954 608344410 /nfs/dbraw/zinc/34/44/10/608344410.db2.gz QKCYXZOWDLXMLV-UHFFFAOYSA-N -1 3 369.237 3.297 20 0 FGADHM CCN(C(=O)c1scnc1Cl)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825390954 608344412 /nfs/dbraw/zinc/34/44/12/608344412.db2.gz QKCYXZOWDLXMLV-UHFFFAOYSA-N -1 3 369.237 3.297 20 0 FGADHM CCN(C(=O)c1cc(C(C)C)nn1C)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825380154 608345743 /nfs/dbraw/zinc/34/57/43/608345743.db2.gz OMQDYQOSLPDVAA-UHFFFAOYSA-N -1 3 373.848 3.044 20 0 FGADHM CCN(C(=O)c1cc(C(C)C)nn1C)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825380154 608345745 /nfs/dbraw/zinc/34/57/45/608345745.db2.gz OMQDYQOSLPDVAA-UHFFFAOYSA-N -1 3 373.848 3.044 20 0 FGADHM CSc1cccc(N[C@@H](C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)c1C ZINC000826230941 608384833 /nfs/dbraw/zinc/38/48/33/608384833.db2.gz PZDFJDCEKDNSLN-LBPRGKRZSA-N -1 3 368.466 3.336 20 0 FGADHM CSc1cccc(N[C@@H](C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)c1C ZINC000826230941 608384835 /nfs/dbraw/zinc/38/48/35/608384835.db2.gz PZDFJDCEKDNSLN-LBPRGKRZSA-N -1 3 368.466 3.336 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1CNc1c(F)cc(Cl)cc1F ZINC000826184041 608389056 /nfs/dbraw/zinc/38/90/56/608389056.db2.gz IZABNSIUIRNNBH-UHFFFAOYSA-N -1 3 351.744 3.419 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1CNc1c(F)cc(Cl)cc1F ZINC000826184041 608389058 /nfs/dbraw/zinc/38/90/58/608389058.db2.gz IZABNSIUIRNNBH-UHFFFAOYSA-N -1 3 351.744 3.419 20 0 FGADHM Cc1cccc(CNC(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000826298102 608391689 /nfs/dbraw/zinc/39/16/89/608391689.db2.gz DKMBRYCLAQPJDR-UHFFFAOYSA-N -1 3 374.448 3.174 20 0 FGADHM Cc1cccc(CNC(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000826298102 608391691 /nfs/dbraw/zinc/39/16/91/608391691.db2.gz DKMBRYCLAQPJDR-UHFFFAOYSA-N -1 3 374.448 3.174 20 0 FGADHM Cc1nccn1CCSc1nc(-c2ccccc2)ccc1-c1nnn[n-]1 ZINC000826331794 608398747 /nfs/dbraw/zinc/39/87/47/608398747.db2.gz XXSJNFPNVBCLAI-UHFFFAOYSA-N -1 3 363.450 3.226 20 0 FGADHM C[C@@H]1C[C@@H](Nc2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)C[C@H](C)O1 ZINC000824894025 608444872 /nfs/dbraw/zinc/44/48/72/608444872.db2.gz WRIMWKPUWGVCEC-DOFRTFSJSA-N -1 3 360.368 3.061 20 0 FGADHM C[C@@H]1C[C@@H](Nc2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)C[C@H](C)O1 ZINC000824894025 608444873 /nfs/dbraw/zinc/44/48/73/608444873.db2.gz WRIMWKPUWGVCEC-DOFRTFSJSA-N -1 3 360.368 3.061 20 0 FGADHM CC(C)(C(=O)OCc1cccc(-c2nnn[n-]2)c1F)c1ccccc1F ZINC000824064178 608445743 /nfs/dbraw/zinc/44/57/43/608445743.db2.gz AHTRGGKQMQVIRQ-UHFFFAOYSA-N -1 3 358.348 3.166 20 0 FGADHM CC(C)(C(=O)OCc1cccc(-c2nn[n-]n2)c1F)c1ccccc1F ZINC000824064178 608445744 /nfs/dbraw/zinc/44/57/44/608445744.db2.gz AHTRGGKQMQVIRQ-UHFFFAOYSA-N -1 3 358.348 3.166 20 0 FGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)c1cnc(-c2ccco2)s1 ZINC000826466905 608447264 /nfs/dbraw/zinc/44/72/64/608447264.db2.gz YICSGNVTMGYIAE-UHFFFAOYSA-N -1 3 371.353 3.079 20 0 FGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)c1cnc(-c2ccco2)s1 ZINC000826466905 608447265 /nfs/dbraw/zinc/44/72/65/608447265.db2.gz YICSGNVTMGYIAE-UHFFFAOYSA-N -1 3 371.353 3.079 20 0 FGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)c1ccccc1OC1CCC1 ZINC000826466566 608448890 /nfs/dbraw/zinc/44/88/90/608448890.db2.gz JGWRMHVMTYAGSS-UHFFFAOYSA-N -1 3 368.368 3.294 20 0 FGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)c1ccccc1OC1CCC1 ZINC000826466566 608448892 /nfs/dbraw/zinc/44/88/92/608448892.db2.gz JGWRMHVMTYAGSS-UHFFFAOYSA-N -1 3 368.368 3.294 20 0 FGADHM C[C@H](CCc1cccc(F)c1)C(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000824407532 608449390 /nfs/dbraw/zinc/44/93/90/608449390.db2.gz XNCVEKRKGQRXRT-GFCCVEGCSA-N -1 3 372.375 3.457 20 0 FGADHM C[C@H](CCc1cccc(F)c1)C(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000824407532 608449391 /nfs/dbraw/zinc/44/93/91/608449391.db2.gz XNCVEKRKGQRXRT-GFCCVEGCSA-N -1 3 372.375 3.457 20 0 FGADHM COc1cccc([C@@H](C)CC(=O)OCc2cccc(-c3nnn[n-]3)c2F)c1 ZINC000826214839 608451245 /nfs/dbraw/zinc/45/12/45/608451245.db2.gz YLEMKAJUSORISU-LBPRGKRZSA-N -1 3 370.384 3.251 20 0 FGADHM COc1cccc([C@@H](C)CC(=O)OCc2cccc(-c3nn[n-]n3)c2F)c1 ZINC000826214839 608451248 /nfs/dbraw/zinc/45/12/48/608451248.db2.gz YLEMKAJUSORISU-LBPRGKRZSA-N -1 3 370.384 3.251 20 0 FGADHM C[C@@H](NCc1c(F)c(F)c(F)c(F)c1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000824604277 608465134 /nfs/dbraw/zinc/46/51/34/608465134.db2.gz AUYYNRADRYDVGD-SSDOTTSWSA-N -1 3 369.297 3.413 20 0 FGADHM C[C@@H](NCc1c(F)c(F)c(F)c(F)c1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000824604277 608465136 /nfs/dbraw/zinc/46/51/36/608465136.db2.gz AUYYNRADRYDVGD-SSDOTTSWSA-N -1 3 369.297 3.413 20 0 FGADHM Cc1cscc1C(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826321297 608478531 /nfs/dbraw/zinc/47/85/31/608478531.db2.gz ZPAQXVMIFYJSJO-UHFFFAOYSA-N -1 3 351.435 3.166 20 0 FGADHM Cc1cscc1C(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826321297 608478532 /nfs/dbraw/zinc/47/85/32/608478532.db2.gz ZPAQXVMIFYJSJO-UHFFFAOYSA-N -1 3 351.435 3.166 20 0 FGADHM c1csc(CN(Cc2ccc(-c3nnn[n-]3)s2)C[C@H]2CCCO2)c1 ZINC000826526184 608506186 /nfs/dbraw/zinc/50/61/86/608506186.db2.gz OGYLEDRVGUSDID-GFCCVEGCSA-N -1 3 361.496 3.171 20 0 FGADHM CC(C)(F)C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824162821 608541698 /nfs/dbraw/zinc/54/16/98/608541698.db2.gz PLWQEYAJHJEMTO-UHFFFAOYSA-N -1 3 355.373 3.132 20 0 FGADHM CC(C)(F)C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824162821 608541701 /nfs/dbraw/zinc/54/17/01/608541701.db2.gz PLWQEYAJHJEMTO-UHFFFAOYSA-N -1 3 355.373 3.132 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)nc1N1CCC(c2c[nH]c3ccccc23)CC1 ZINC000826279904 608542285 /nfs/dbraw/zinc/54/22/85/608542285.db2.gz GUOLSXBMHIFRJT-UHFFFAOYSA-N -1 3 359.437 3.435 20 0 FGADHM Clc1cccc(Cl)c1C1(NCc2ccnc(-c3nnn[n-]3)c2)CC1 ZINC000826353263 608555796 /nfs/dbraw/zinc/55/57/96/608555796.db2.gz IKIDBCYJJPZMDH-UHFFFAOYSA-N -1 3 361.236 3.347 20 0 FGADHM Fc1ccc(COC2CCN(c3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000826374814 608560293 /nfs/dbraw/zinc/56/02/93/608560293.db2.gz NDOJUMPHVIYXNY-UHFFFAOYSA-N -1 3 353.401 3.191 20 0 FGADHM Fc1ccc(COC2CCN(c3cccc(F)c3-c3nnn[n-]3)CC2)cc1 ZINC000826374702 608560334 /nfs/dbraw/zinc/56/03/34/608560334.db2.gz KABLGOPTKUFVSO-UHFFFAOYSA-N -1 3 371.391 3.331 20 0 FGADHM Fc1ccc(COC2CCN(c3cccc(F)c3-c3nn[n-]n3)CC2)cc1 ZINC000826374702 608560336 /nfs/dbraw/zinc/56/03/36/608560336.db2.gz KABLGOPTKUFVSO-UHFFFAOYSA-N -1 3 371.391 3.331 20 0 FGADHM CCCOc1ccc(NC(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000825339233 608562611 /nfs/dbraw/zinc/56/26/11/608562611.db2.gz SLCPBVITCOQWNI-ZDUSSCGKSA-N -1 3 367.409 3.062 20 0 FGADHM CCCOc1ccc(NC(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000825339233 608562612 /nfs/dbraw/zinc/56/26/12/608562612.db2.gz SLCPBVITCOQWNI-ZDUSSCGKSA-N -1 3 367.409 3.062 20 0 FGADHM Clc1ccccc1-n1cc(NCc2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000826353267 608568781 /nfs/dbraw/zinc/56/87/81/608568781.db2.gz IQFJTPKDOKNCBB-UHFFFAOYSA-N -1 3 351.801 3.318 20 0 FGADHM Clc1ccccc1-n1cc(NCc2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000826353267 608568783 /nfs/dbraw/zinc/56/87/83/608568783.db2.gz IQFJTPKDOKNCBB-UHFFFAOYSA-N -1 3 351.801 3.318 20 0 FGADHM Cc1csc(N(C(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)C2CC2)n1 ZINC000826321030 608577362 /nfs/dbraw/zinc/57/73/62/608577362.db2.gz OAQMNVQTJGZCPP-UHFFFAOYSA-N -1 3 360.830 3.094 20 0 FGADHM Cc1csc(N(C(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)C2CC2)n1 ZINC000826321030 608577364 /nfs/dbraw/zinc/57/73/64/608577364.db2.gz OAQMNVQTJGZCPP-UHFFFAOYSA-N -1 3 360.830 3.094 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H]1CCc2c1cccc2Cl ZINC000826277315 608584159 /nfs/dbraw/zinc/58/41/59/608584159.db2.gz QNUDDOIMWMQJRV-AWEZNQCLSA-N -1 3 353.813 3.497 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H]1CCc2c1cccc2Cl ZINC000826277315 608584160 /nfs/dbraw/zinc/58/41/60/608584160.db2.gz QNUDDOIMWMQJRV-AWEZNQCLSA-N -1 3 353.813 3.497 20 0 FGADHM COc1ccc([C@H](C)COC(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000826188439 608592948 /nfs/dbraw/zinc/59/29/48/608592948.db2.gz XGUARWHGDYUJGZ-BRADTZPFSA-N -1 3 364.405 3.235 20 0 FGADHM COc1ccc([C@H](C)COC(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000826188439 608592951 /nfs/dbraw/zinc/59/29/51/608592951.db2.gz XGUARWHGDYUJGZ-BRADTZPFSA-N -1 3 364.405 3.235 20 0 FGADHM O=C(N[C@@H]1CCCOc2cc(Cl)ccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000826431245 608593000 /nfs/dbraw/zinc/59/30/00/608593000.db2.gz WFJHNSOFZZELMV-OAHLLOKOSA-N -1 3 369.812 3.164 20 0 FGADHM O=C(N[C@@H]1CCCOc2cc(Cl)ccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000826431245 608593004 /nfs/dbraw/zinc/59/30/04/608593004.db2.gz WFJHNSOFZZELMV-OAHLLOKOSA-N -1 3 369.812 3.164 20 0 FGADHM CC(C)[C@H](OC(=O)c1cc(-c2nnn[n-]2)cn1C)c1ccc(F)c(F)c1 ZINC000824207136 608596414 /nfs/dbraw/zinc/59/64/14/608596414.db2.gz QIJXWGKRLYZRHK-HNNXBMFYSA-N -1 3 361.352 3.038 20 0 FGADHM CC(C)[C@H](OC(=O)c1cc(-c2nn[n-]n2)cn1C)c1ccc(F)c(F)c1 ZINC000824207136 608596415 /nfs/dbraw/zinc/59/64/15/608596415.db2.gz QIJXWGKRLYZRHK-HNNXBMFYSA-N -1 3 361.352 3.038 20 0 FGADHM C[C@@H]1[C@@H](C)CCCN1C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000824938638 608600711 /nfs/dbraw/zinc/60/07/11/608600711.db2.gz WBXYSTWIIQLOJR-VHSXEESVSA-N -1 3 366.372 3.120 20 0 FGADHM C[C@@H]1[C@@H](C)CCCN1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000824938638 608600712 /nfs/dbraw/zinc/60/07/12/608600712.db2.gz WBXYSTWIIQLOJR-VHSXEESVSA-N -1 3 366.372 3.120 20 0 FGADHM Clc1ccc2sc(CCNc3cnccc3-c3nnn[n-]3)nc2c1 ZINC000826352519 608769511 /nfs/dbraw/zinc/76/95/11/608769511.db2.gz DTUUJICSVVIIOG-UHFFFAOYSA-N -1 3 357.830 3.179 20 0 FGADHM Clc1ccc2sc(CCNc3cnccc3-c3nn[n-]n3)nc2c1 ZINC000826352519 608769512 /nfs/dbraw/zinc/76/95/12/608769512.db2.gz DTUUJICSVVIIOG-UHFFFAOYSA-N -1 3 357.830 3.179 20 0 FGADHM CC(C)c1nn(-c2ccccc2)cc1CNc1cnccc1-c1nnn[n-]1 ZINC000824364968 608790612 /nfs/dbraw/zinc/79/06/12/608790612.db2.gz XIAMPJHMMOHOJI-UHFFFAOYSA-N -1 3 360.425 3.183 20 0 FGADHM CC(C)c1nn(-c2ccccc2)cc1CNc1cnccc1-c1nn[n-]n1 ZINC000824364968 608790615 /nfs/dbraw/zinc/79/06/15/608790615.db2.gz XIAMPJHMMOHOJI-UHFFFAOYSA-N -1 3 360.425 3.183 20 0 FGADHM COc1ccc(CNc2nccc3ccc(F)cc32)cc1-c1nnn[n-]1 ZINC000826204703 608793926 /nfs/dbraw/zinc/79/39/26/608793926.db2.gz WJASHGVBZSDZTN-UHFFFAOYSA-N -1 3 350.357 3.175 20 0 FGADHM COc1ccc(CNc2nccc3ccc(F)cc32)cc1-c1nn[n-]n1 ZINC000826204703 608793927 /nfs/dbraw/zinc/79/39/27/608793927.db2.gz WJASHGVBZSDZTN-UHFFFAOYSA-N -1 3 350.357 3.175 20 0 FGADHM O=C(NCCCc1cccs1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000826437330 608817677 /nfs/dbraw/zinc/81/76/77/608817677.db2.gz HDJWROYOMXUVPD-UHFFFAOYSA-N -1 3 362.846 3.336 20 0 FGADHM O=C(NCCCc1cccs1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000826437330 608817679 /nfs/dbraw/zinc/81/76/79/608817679.db2.gz HDJWROYOMXUVPD-UHFFFAOYSA-N -1 3 362.846 3.336 20 0 FGADHM Fc1ccc(/C=C/CN2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)cc1 ZINC000826374005 608854819 /nfs/dbraw/zinc/85/48/19/608854819.db2.gz HUGDYLYEQHAKLT-PHXNAMCJSA-N -1 3 365.412 3.093 20 0 FGADHM Fc1ccc(/C=C/CN2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)cc1 ZINC000826374005 608854821 /nfs/dbraw/zinc/85/48/21/608854821.db2.gz HUGDYLYEQHAKLT-PHXNAMCJSA-N -1 3 365.412 3.093 20 0 FGADHM Cc1c(NCc2cnc3ccc(-c4nnn[n-]4)cn23)cccc1C(F)(F)F ZINC000826242490 608860250 /nfs/dbraw/zinc/86/02/50/608860250.db2.gz RHCJIFFXXDLPRE-UHFFFAOYSA-N -1 3 373.342 3.454 20 0 FGADHM Cc1c(NCc2cnc3ccc(-c4nn[n-]n4)cn23)cccc1C(F)(F)F ZINC000826242490 608860251 /nfs/dbraw/zinc/86/02/51/608860251.db2.gz RHCJIFFXXDLPRE-UHFFFAOYSA-N -1 3 373.342 3.454 20 0 FGADHM C[C@@H](Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1)c1cccs1 ZINC000824657607 608871006 /nfs/dbraw/zinc/87/10/06/608871006.db2.gz RPURKMZNVGUHLU-GFCCVEGCSA-N -1 3 370.482 3.062 20 0 FGADHM C[C@@H](Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1)c1cccs1 ZINC000824657607 608871009 /nfs/dbraw/zinc/87/10/09/608871009.db2.gz RPURKMZNVGUHLU-GFCCVEGCSA-N -1 3 370.482 3.062 20 0 FGADHM CSC[C@@H](C)C(=O)Nc1c(-c2nnn[n-]2)c(C)c(C)n1-c1ccccc1 ZINC000826227037 609167464 /nfs/dbraw/zinc/16/74/64/609167464.db2.gz KPKOXOIBXMRFKR-LLVKDONJSA-N -1 3 370.482 3.212 20 0 FGADHM CSC[C@@H](C)C(=O)Nc1c(-c2nn[n-]n2)c(C)c(C)n1-c1ccccc1 ZINC000826227037 609167467 /nfs/dbraw/zinc/16/74/67/609167467.db2.gz KPKOXOIBXMRFKR-LLVKDONJSA-N -1 3 370.482 3.212 20 0 FGADHM CC(C)C[C@@H]1C[C@H](Nc2nc3c(cc2-c2nnn[n-]2)CCCC3)CCO1 ZINC000824243545 609170832 /nfs/dbraw/zinc/17/08/32/609170832.db2.gz IUYGJZIXASRDBE-HUUCEWRRSA-N -1 3 356.474 3.146 20 0 FGADHM CC(C)C[C@@H]1C[C@H](Nc2nc3c(cc2-c2nn[n-]n2)CCCC3)CCO1 ZINC000824243545 609170834 /nfs/dbraw/zinc/17/08/34/609170834.db2.gz IUYGJZIXASRDBE-HUUCEWRRSA-N -1 3 356.474 3.146 20 0 FGADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)Cc2ccccc2SC)s1 ZINC000825694575 609176291 /nfs/dbraw/zinc/17/62/91/609176291.db2.gz UUQGQSLTSDEFDO-UHFFFAOYSA-N -1 3 359.480 3.394 20 0 FGADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)Cc2ccccc2SC)s1 ZINC000825694575 609176293 /nfs/dbraw/zinc/17/62/93/609176293.db2.gz UUQGQSLTSDEFDO-UHFFFAOYSA-N -1 3 359.480 3.394 20 0 FGADHM Cc1cccc(C2(CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)CCCCC2)c1 ZINC000826296810 609198515 /nfs/dbraw/zinc/19/85/15/609198515.db2.gz JRJQKIUFRTZYGD-UHFFFAOYSA-N -1 3 364.453 3.135 20 0 FGADHM Cc1cccc(C2(CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)CCCCC2)c1 ZINC000826296810 609198516 /nfs/dbraw/zinc/19/85/16/609198516.db2.gz JRJQKIUFRTZYGD-UHFFFAOYSA-N -1 3 364.453 3.135 20 0 FGADHM O=C(NC1(c2cccc(Cl)c2)CCCC1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826429177 609227033 /nfs/dbraw/zinc/22/70/33/609227033.db2.gz WBRAFAHBPPZIAI-UHFFFAOYSA-N -1 3 356.817 3.048 20 0 FGADHM O=C(NC1(c2cccc(Cl)c2)CCCC1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826429177 609227035 /nfs/dbraw/zinc/22/70/35/609227035.db2.gz WBRAFAHBPPZIAI-UHFFFAOYSA-N -1 3 356.817 3.048 20 0 FGADHM C[C@H](Nc1ccccc1O[C@H]1CCOC1)c1cccc(-c2nnn[n-]2)c1 ZINC000824662512 609245125 /nfs/dbraw/zinc/24/51/25/609245125.db2.gz MAHBGGPXTQUYNG-BBRMVZONSA-N -1 3 351.410 3.208 20 0 FGADHM C[C@H](Nc1ccccc1O[C@H]1CCOC1)c1cccc(-c2nn[n-]n2)c1 ZINC000824662512 609245128 /nfs/dbraw/zinc/24/51/28/609245128.db2.gz MAHBGGPXTQUYNG-BBRMVZONSA-N -1 3 351.410 3.208 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C=Cc1cccc(O)c1 ZINC000825313485 609268286 /nfs/dbraw/zinc/26/82/86/609268286.db2.gz HCJDKDXWOMCGSW-DHZHZOJOSA-N -1 3 363.421 3.024 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C=Cc1cccc(O)c1 ZINC000825313485 609268287 /nfs/dbraw/zinc/26/82/87/609268287.db2.gz HCJDKDXWOMCGSW-DHZHZOJOSA-N -1 3 363.421 3.024 20 0 FGADHM C[C@@H](Nc1cccc(-c2nnnn2C2CC2)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824662261 609273480 /nfs/dbraw/zinc/27/34/80/609273480.db2.gz GXNNYZHTWUCHAJ-GFCCVEGCSA-N -1 3 373.424 3.028 20 0 FGADHM C[C@@H](Nc1cccc(-c2nnnn2C2CC2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824662261 609273482 /nfs/dbraw/zinc/27/34/82/609273482.db2.gz GXNNYZHTWUCHAJ-GFCCVEGCSA-N -1 3 373.424 3.028 20 0 FGADHM CN(C)C(=O)c1cccc(N[C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)c1 ZINC000825851729 609273683 /nfs/dbraw/zinc/27/36/83/609273683.db2.gz XPPDHTDPKVCOBC-GOSISDBHSA-N -1 3 362.437 3.058 20 0 FGADHM CN(C)C(=O)c1cccc(N[C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)c1 ZINC000825851729 609273685 /nfs/dbraw/zinc/27/36/85/609273685.db2.gz XPPDHTDPKVCOBC-GOSISDBHSA-N -1 3 362.437 3.058 20 0 FGADHM Cc1nn(-c2ccccc2)c(CN(C)Cc2ccsc2)c1-c1nnn[n-]1 ZINC000826332218 609276672 /nfs/dbraw/zinc/27/66/72/609276672.db2.gz NDFDKUULOLTQCH-UHFFFAOYSA-N -1 3 365.466 3.054 20 0 FGADHM Cc1nn(-c2ccccc2)c(CN(C)Cc2ccsc2)c1-c1nn[n-]n1 ZINC000826332218 609276673 /nfs/dbraw/zinc/27/66/73/609276673.db2.gz NDFDKUULOLTQCH-UHFFFAOYSA-N -1 3 365.466 3.054 20 0 FGADHM Cc1nn(-c2ccccc2)cc1NC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000826332892 609283274 /nfs/dbraw/zinc/28/32/74/609283274.db2.gz LRMKSDHLQZBPRP-UHFFFAOYSA-N -1 3 360.381 3.005 20 0 FGADHM Cc1nn(-c2ccccc2)cc1NC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000826332892 609283276 /nfs/dbraw/zinc/28/32/76/609283276.db2.gz LRMKSDHLQZBPRP-UHFFFAOYSA-N -1 3 360.381 3.005 20 0 FGADHM CCC[C@@H](C(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1)C(C)C ZINC000825224681 609290607 /nfs/dbraw/zinc/29/06/07/609290607.db2.gz BESGDBNQTFZOQR-GFCCVEGCSA-N -1 3 371.420 3.202 20 0 FGADHM O=C(Nc1ccc2ncccc2c1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826456013 609291108 /nfs/dbraw/zinc/29/11/08/609291108.db2.gz MTHLRVNSZVLZDK-UHFFFAOYSA-N -1 3 350.769 3.321 20 0 FGADHM O=C(Nc1ccc2ncccc2c1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826456013 609291110 /nfs/dbraw/zinc/29/11/10/609291110.db2.gz MTHLRVNSZVLZDK-UHFFFAOYSA-N -1 3 350.769 3.321 20 0 FGADHM Fc1cccc(F)c1OCc1ccc(-c2nnn[n-]2)cc1Br ZINC000826377477 609308504 /nfs/dbraw/zinc/30/85/04/609308504.db2.gz TZFAVGVNEIQHJQ-UHFFFAOYSA-N -1 3 367.153 3.486 20 0 FGADHM Fc1cccc(F)c1OCc1ccc(-c2nn[n-]n2)cc1Br ZINC000826377477 609308506 /nfs/dbraw/zinc/30/85/06/609308506.db2.gz TZFAVGVNEIQHJQ-UHFFFAOYSA-N -1 3 367.153 3.486 20 0 FGADHM Cc1nnc(SCc2cc(Cl)nc(Cl)c2)c(-c2nnn[n-]2)c1C ZINC000826337262 609308632 /nfs/dbraw/zinc/30/86/32/609308632.db2.gz IOBAHGDTPMJJQU-UHFFFAOYSA-N -1 3 368.253 3.268 20 0 FGADHM Cc1nnc(SCc2cc(Cl)nc(Cl)c2)c(-c2nn[n-]n2)c1C ZINC000826337262 609308634 /nfs/dbraw/zinc/30/86/34/609308634.db2.gz IOBAHGDTPMJJQU-UHFFFAOYSA-N -1 3 368.253 3.268 20 0 FGADHM CC=C(C=CC(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1)CC ZINC000825028041 609312329 /nfs/dbraw/zinc/31/23/29/609312329.db2.gz DLCOBEFAEWAWPK-FNAOXXECSA-N -1 3 367.388 3.043 20 0 FGADHM CC(C)(C)C[C@H](NC(=O)CCc1ccc(-c2nnn[n-]2)cc1)C(F)(F)F ZINC000824085920 609321890 /nfs/dbraw/zinc/32/18/90/609321890.db2.gz HXJQEEPLGAFTRE-ZDUSSCGKSA-N -1 3 369.391 3.283 20 0 FGADHM CC(C)(C)C[C@H](NC(=O)CCc1ccc(-c2nn[n-]n2)cc1)C(F)(F)F ZINC000824085920 609321892 /nfs/dbraw/zinc/32/18/92/609321892.db2.gz HXJQEEPLGAFTRE-ZDUSSCGKSA-N -1 3 369.391 3.283 20 0 FGADHM C[C@H](CSCC(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000824447741 609329940 /nfs/dbraw/zinc/32/99/40/609329940.db2.gz BZZDUFNSHASANG-CYBMUJFWSA-N -1 3 353.451 3.342 20 0 FGADHM C[C@H](CSCC(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000824447741 609329942 /nfs/dbraw/zinc/32/99/42/609329942.db2.gz BZZDUFNSHASANG-CYBMUJFWSA-N -1 3 353.451 3.342 20 0 FGADHM Cc1cc(C)cc(NCc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826264678 609337075 /nfs/dbraw/zinc/33/70/75/609337075.db2.gz WLHLKNBDQDLGSK-UHFFFAOYSA-N -1 3 359.437 3.496 20 0 FGADHM Cc1cc(C)cc(NCc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826264678 609337077 /nfs/dbraw/zinc/33/70/77/609337077.db2.gz WLHLKNBDQDLGSK-UHFFFAOYSA-N -1 3 359.437 3.496 20 0 FGADHM O=C(CC1CCCC1)OCc1ccc(-c2nnn[n-]2)cc1Br ZINC000826404267 609337552 /nfs/dbraw/zinc/33/75/52/609337552.db2.gz UPXHYXWNBQUAOJ-UHFFFAOYSA-N -1 3 365.231 3.253 20 0 FGADHM O=C(CC1CCCC1)OCc1ccc(-c2nn[n-]n2)cc1Br ZINC000826404267 609337553 /nfs/dbraw/zinc/33/75/53/609337553.db2.gz UPXHYXWNBQUAOJ-UHFFFAOYSA-N -1 3 365.231 3.253 20 0 FGADHM C[C@H](Nc1cccc(N2CCCC2=O)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824662180 609346462 /nfs/dbraw/zinc/34/64/62/609346462.db2.gz FDZHZVWZCOGSIA-LBPRGKRZSA-N -1 3 366.400 3.306 20 0 FGADHM C[C@H](Nc1cccc(N2CCCC2=O)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824662180 609346464 /nfs/dbraw/zinc/34/64/64/609346464.db2.gz FDZHZVWZCOGSIA-LBPRGKRZSA-N -1 3 366.400 3.306 20 0 FGADHM COc1cc(F)c(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2F)cc1OC ZINC000826180084 609347692 /nfs/dbraw/zinc/34/76/92/609347692.db2.gz RMLWVXZYTVIKGE-SECBINFHSA-N -1 3 361.352 3.335 20 0 FGADHM COc1cc(F)c(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2F)cc1OC ZINC000826180084 609347694 /nfs/dbraw/zinc/34/76/94/609347694.db2.gz RMLWVXZYTVIKGE-SECBINFHSA-N -1 3 361.352 3.335 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@H](CC(C)(C)C)C(F)(F)F ZINC000826246635 609348240 /nfs/dbraw/zinc/34/82/40/609348240.db2.gz IGHGJHCIFMEKQR-GFCCVEGCSA-N -1 3 355.364 3.272 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@H](CC(C)(C)C)C(F)(F)F ZINC000826246635 609348242 /nfs/dbraw/zinc/34/82/42/609348242.db2.gz IGHGJHCIFMEKQR-GFCCVEGCSA-N -1 3 355.364 3.272 20 0 FGADHM CC(=O)Nc1ccc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2F)cc1C ZINC000823999473 609348243 /nfs/dbraw/zinc/34/82/43/609348243.db2.gz BSRVGPDHTDVZRK-LLVKDONJSA-N -1 3 354.389 3.446 20 0 FGADHM CC(=O)Nc1ccc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2F)cc1C ZINC000823999473 609348245 /nfs/dbraw/zinc/34/82/45/609348245.db2.gz BSRVGPDHTDVZRK-LLVKDONJSA-N -1 3 354.389 3.446 20 0 FGADHM O=C(OCc1ccon1)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826467030 609353207 /nfs/dbraw/zinc/35/32/07/609353207.db2.gz DNWWETBEVFACKP-UHFFFAOYSA-N -1 3 363.333 3.004 20 0 FGADHM O=C(OCc1ccon1)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826467030 609353208 /nfs/dbraw/zinc/35/32/08/609353208.db2.gz DNWWETBEVFACKP-UHFFFAOYSA-N -1 3 363.333 3.004 20 0 FGADHM Cc1ccc(-c2ccc(C(=O)NCc3cccc(-c4nnn[n-]4)c3)s2)o1 ZINC000826273919 609373906 /nfs/dbraw/zinc/37/39/06/609373906.db2.gz ZYJMBUZJCIPLIX-UHFFFAOYSA-N -1 3 365.418 3.427 20 0 FGADHM Cc1ccc(-c2ccc(C(=O)NCc3cccc(-c4nn[n-]n4)c3)s2)o1 ZINC000826273919 609373908 /nfs/dbraw/zinc/37/39/08/609373908.db2.gz ZYJMBUZJCIPLIX-UHFFFAOYSA-N -1 3 365.418 3.427 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C[C@@H]1CCO[C@H](CC)C1 ZINC000825318098 609375560 /nfs/dbraw/zinc/37/55/60/609375560.db2.gz IPESZQRTGRVNAI-SJLPKXTDSA-N -1 3 371.485 3.201 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C[C@@H]1CCO[C@H](CC)C1 ZINC000825318098 609375562 /nfs/dbraw/zinc/37/55/62/609375562.db2.gz IPESZQRTGRVNAI-SJLPKXTDSA-N -1 3 371.485 3.201 20 0 FGADHM COCC[C@H](C)OC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826154473 609388268 /nfs/dbraw/zinc/38/82/68/609388268.db2.gz QDEKDJLQXJVSKF-ZDUSSCGKSA-N -1 3 368.393 3.241 20 0 FGADHM COCC[C@H](C)OC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826154473 609388271 /nfs/dbraw/zinc/38/82/71/609388271.db2.gz QDEKDJLQXJVSKF-ZDUSSCGKSA-N -1 3 368.393 3.241 20 0 FGADHM CC[C@H]1C[C@H](CC(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)CCO1 ZINC000825181110 609394504 /nfs/dbraw/zinc/39/45/04/609394504.db2.gz CBSGZNYJHLJLIH-HIFRSBDPSA-N -1 3 373.457 3.188 20 0 FGADHM CC[C@H]1C[C@H](CC(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)CCO1 ZINC000825181110 609394506 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Cc1ccnc(NCCCCOCCc2ccccc2)c1-c1nn[n-]n1 ZINC000826313747 609538349 /nfs/dbraw/zinc/53/83/49/609538349.db2.gz RYFWMHNULWIQHP-UHFFFAOYSA-N -1 3 352.442 3.022 20 0 FGADHM Cc1c(Cl)cnc(N2CC[C@@H](Cc3ccccc3)C2)c1-c1nnn[n-]1 ZINC000826238126 609559518 /nfs/dbraw/zinc/55/95/18/609559518.db2.gz XBAGJBBUEKJELA-AWEZNQCLSA-N -1 3 354.845 3.293 20 0 FGADHM Cc1c(Cl)cnc(N2CC[C@@H](Cc3ccccc3)C2)c1-c1nn[n-]n1 ZINC000826238126 609559521 /nfs/dbraw/zinc/55/95/21/609559521.db2.gz XBAGJBBUEKJELA-AWEZNQCLSA-N -1 3 354.845 3.293 20 0 FGADHM CC[C@@H]1C[C@@H](C(=O)N(CC)c2ccc(-c3nnn[n-]3)c(Cl)c2)CCO1 ZINC000825176390 609599253 /nfs/dbraw/zinc/59/92/53/609599253.db2.gz RQBWIQADGNFKNX-WCQYABFASA-N -1 3 363.849 3.078 20 0 FGADHM CC[C@@H]1C[C@@H](C(=O)N(CC)c2ccc(-c3nn[n-]n3)c(Cl)c2)CCO1 ZINC000825176390 609599255 /nfs/dbraw/zinc/59/92/55/609599255.db2.gz RQBWIQADGNFKNX-WCQYABFASA-N -1 3 363.849 3.078 20 0 FGADHM C[C@H]1C[C@H](C(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)CC(C)(C)C1 ZINC000824865735 609599484 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O=C(OCc1ccc(Cl)cc1-c1nnn[n-]1)[C@H]1CCOc2ccccc21 ZINC000826465475 609619814 /nfs/dbraw/zinc/61/98/14/609619814.db2.gz OQBMONCGFTWVOF-AWEZNQCLSA-N -1 3 370.796 3.130 20 0 FGADHM O=C(OCc1ccc(Cl)cc1-c1nn[n-]n1)[C@H]1CCOc2ccccc21 ZINC000826465475 609619816 /nfs/dbraw/zinc/61/98/16/609619816.db2.gz OQBMONCGFTWVOF-AWEZNQCLSA-N -1 3 370.796 3.130 20 0 FGADHM C[C@@H](OC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)c1cccc2ccccc21 ZINC000824715680 609634617 /nfs/dbraw/zinc/63/46/17/609634617.db2.gz UGHLMLWJWWAPEK-BFUOFWGJSA-N -1 3 374.400 3.358 20 0 FGADHM C[C@@H](OC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)c1cccc2ccccc21 ZINC000824715680 609634619 /nfs/dbraw/zinc/63/46/19/609634619.db2.gz UGHLMLWJWWAPEK-BFUOFWGJSA-N -1 3 374.400 3.358 20 0 FGADHM C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000011808839 695602299 /nfs/dbraw/zinc/60/22/99/695602299.db2.gz KKZWJGMGWXFHNW-SECBINFHSA-N -1 3 353.205 3.456 20 0 FGADHM O=C(OCCCn1c(=O)[nH]c2ccccc21)c1cc(Cl)c(Cl)[n-]1 ZINC000011809865 695602771 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/nfs/dbraw/zinc/20/70/39/725207039.db2.gz ZHJNKTLDRIJLQF-UHFFFAOYSA-N -1 3 359.234 3.433 20 0 FGADHM COc1cccc2c(C(=O)OCC(=O)Nc3ccccc3Cl)n[n-]c21 ZINC000808672812 725212699 /nfs/dbraw/zinc/21/26/99/725212699.db2.gz GQWJOAIAURJSKM-UHFFFAOYSA-N -1 3 359.769 3.020 20 0 FGADHM COc1cccc2c1n[n-]c2C(=O)OCC(=O)Nc1ccccc1Cl ZINC000808672812 725212702 /nfs/dbraw/zinc/21/27/02/725212702.db2.gz GQWJOAIAURJSKM-UHFFFAOYSA-N -1 3 359.769 3.020 20 0 FGADHM COC[C@@H](NC(=O)c1nnc2ccccc2c1[O-])c1cccc(Cl)c1 ZINC000809233624 725235506 /nfs/dbraw/zinc/23/55/06/725235506.db2.gz PSCMLKTXHZUBHO-OAHLLOKOSA-N -1 3 357.797 3.106 20 0 FGADHM CN(CC(=O)Nc1ccccc1Cl)C(=O)c1cc([O-])ccc1Cl ZINC000809939197 725277277 /nfs/dbraw/zinc/27/72/77/725277277.db2.gz RHQCFMSUTHXPLH-UHFFFAOYSA-N -1 3 353.205 3.410 20 0 FGADHM CN(C(=O)c1cc([O-])ccc1Cl)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000810463905 725309220 /nfs/dbraw/zinc/30/92/20/725309220.db2.gz KNJSRAYGWMCBPM-NSHDSACASA-N -1 3 354.834 3.127 20 0 FGADHM CS(=O)(=O)CC1(COC(=O)c2cc3cc(Cl)sc3[n-]2)CCC1 ZINC000811395049 725361643 /nfs/dbraw/zinc/36/16/43/725361643.db2.gz SKZIKNRBBHTGHP-UHFFFAOYSA-N -1 3 361.872 3.255 20 0 FGADHM COC(=O)CCCO[N-]C(=O)C12C[C@H]3C[C@@H](C1)CC(C(F)(F)F)(C3)C2 ZINC000811562766 725373494 /nfs/dbraw/zinc/37/34/94/725373494.db2.gz WVWHCRAMACQAQT-RJAIZQQDSA-N -1 3 363.376 3.136 20 0 FGADHM C[C@@H](NC(=S)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1)c1ccccc1 ZINC000811711985 725377659 /nfs/dbraw/zinc/37/76/59/725377659.db2.gz CUYMZWRIPSLICJ-CHWSQXEVSA-N -1 3 373.444 3.013 20 0 FGADHM CC1(CNC(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)CCCCC1 ZINC000811894079 725384261 /nfs/dbraw/zinc/38/42/61/725384261.db2.gz OMDLPZUJAUXALF-ZDUSSCGKSA-N -1 3 363.424 3.057 20 0 FGADHM CC(C)OCc1nc([C@@H](C)[N-]C(=O)C(F)(F)c2ccc(F)cc2)no1 ZINC000812378182 725395377 /nfs/dbraw/zinc/39/53/77/725395377.db2.gz ZOXOUEYMVFXGGY-SNVBAGLBSA-N -1 3 357.332 3.103 20 0 FGADHM O=C(CC1CCN(Cc2c(F)ccc([O-])c2F)CC1)NC1CCCC1 ZINC000816496594 727167967 /nfs/dbraw/zinc/16/79/67/727167967.db2.gz PJLBYVLLQQDHGG-UHFFFAOYSA-N -1 3 352.425 3.331 20 0 FGADHM O=C(N1CCc2nc[n-]c(=O)c2C1)C(F)(F)c1cc(Cl)ccc1Cl ZINC000817439540 727252093 /nfs/dbraw/zinc/25/20/93/727252093.db2.gz OOMXQJUTMBDLGB-UHFFFAOYSA-N -1 3 374.174 3.166 20 0 FGADHM COc1cc(C[NH2+][C@@H]2C[C@@H](C(=O)[O-])CC[C@H]2C)cc(Br)c1[O-] ZINC000871875812 735558523 /nfs/dbraw/zinc/55/85/23/735558523.db2.gz PAXPZCXFAFGBBY-SUZMYJTESA-N -1 3 372.259 3.142 20 0 FGADHM O=C(Nc1nc(CC(F)(F)F)cs1)c1nnc2ccccc2c1[O-] ZINC000819296353 727365397 /nfs/dbraw/zinc/36/53/97/727365397.db2.gz PVURSSHSNLQDAV-UHFFFAOYSA-N -1 3 354.313 3.149 20 0 FGADHM CCN(C(=O)c1cc(-c2nnn[n-]2)cs1)[C@H](C)c1cccc(OC)c1 ZINC000821154255 729064275 /nfs/dbraw/zinc/06/42/75/729064275.db2.gz KYRMTJGMMYSXCO-LLVKDONJSA-N -1 3 357.439 3.160 20 0 FGADHM CCN(C(=O)c1cc(-c2nn[n-]n2)cs1)[C@H](C)c1cccc(OC)c1 ZINC000821154255 729064278 /nfs/dbraw/zinc/06/42/78/729064278.db2.gz KYRMTJGMMYSXCO-LLVKDONJSA-N -1 3 357.439 3.160 20 0 FGADHM C[C@@]1(CCOC(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)C[C@]1(F)Cl ZINC000822049142 729141912 /nfs/dbraw/zinc/14/19/12/729141912.db2.gz NKMYXRYBUIVFTB-ZIAGYGMSSA-N -1 3 367.801 3.059 20 0 FGADHM O=C(Nc1ccc(OC[C@@H]2CCCO2)cc1)c1[n-]cnc1C(F)(F)F ZINC000822549622 729193260 /nfs/dbraw/zinc/19/32/60/729193260.db2.gz VPRVWYABIOWVNC-LBPRGKRZSA-N -1 3 355.316 3.239 20 0 FGADHM O=C(Nc1ccc(OC[C@@H]2CCCO2)cc1)c1nc[n-]c1C(F)(F)F ZINC000822549622 729193264 /nfs/dbraw/zinc/19/32/64/729193264.db2.gz VPRVWYABIOWVNC-LBPRGKRZSA-N -1 3 355.316 3.239 20 0 FGADHM CCC(F)(F)C(=O)[N-][C@H](CC(=O)OC)c1ccc(OC(F)(F)F)cc1 ZINC000822594740 729198369 /nfs/dbraw/zinc/19/83/69/729198369.db2.gz TVSXQJWVFNCYLB-LLVKDONJSA-N -1 3 369.286 3.351 20 0 FGADHM COc1cc(-c2noc([C@@H]3C[C@@H](C)CCN3)n2)cc(Br)c1[O-] ZINC000823074662 729249875 /nfs/dbraw/zinc/24/98/75/729249875.db2.gz FTYXQLMMEODNHJ-KWQFWETISA-N -1 3 368.231 3.274 20 0 FGADHM O=C([N-]c1nc2c(s1)CC1(CCOCC1)CC2)c1cc(Cl)no1 ZINC000823404659 729276936 /nfs/dbraw/zinc/27/69/36/729276936.db2.gz IAMBACCEUAWJDN-UHFFFAOYSA-N -1 3 353.831 3.322 20 0 FGADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)c2ncc(C(F)(F)F)cc2Cl)n1 ZINC000823776988 729304076 /nfs/dbraw/zinc/30/40/76/729304076.db2.gz MRBCVOATMZBEPW-UHFFFAOYSA-N -1 3 374.750 3.223 20 0 FGADHM Brc1ccc(N2CCC[C@@H]2c2ccccn2)c(-c2nnn[n-]2)c1 ZINC000823826281 729307039 /nfs/dbraw/zinc/30/70/39/729307039.db2.gz GCYIUDUTOMKATJ-OAHLLOKOSA-N -1 3 371.242 3.366 20 0 FGADHM Brc1ccc(N2CCC[C@@H]2c2ccccn2)c(-c2nn[n-]n2)c1 ZINC000823826281 729307042 /nfs/dbraw/zinc/30/70/42/729307042.db2.gz GCYIUDUTOMKATJ-OAHLLOKOSA-N -1 3 371.242 3.366 20 0 FGADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)c2cc3c(ccnc3Cl)s2)n1 ZINC000824151465 729321650 /nfs/dbraw/zinc/32/16/50/729321650.db2.gz YBLSEGCBOKGRIQ-UHFFFAOYSA-N -1 3 362.842 3.419 20 0 FGADHM CC(C)CCc1nnc([N-]C(=O)c2ccnc(-c3ccccn3)n2)s1 ZINC000824684372 729355292 /nfs/dbraw/zinc/35/52/92/729355292.db2.gz QAFIBHYVOQWIOH-UHFFFAOYSA-N -1 3 354.439 3.231 20 0 FGADHM O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)c1cc(C2CC2)cnc1Cl ZINC000825304778 729377886 /nfs/dbraw/zinc/37/78/86/729377886.db2.gz JMIMRVCXIVCRPR-UHFFFAOYSA-N -1 3 358.829 3.306 20 0 FGADHM CCN(C(=O)c1cc(C(C)C)on1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825379152 729380959 /nfs/dbraw/zinc/38/09/59/729380959.db2.gz BADNTPZEDIPJDM-UHFFFAOYSA-N -1 3 360.805 3.298 20 0 FGADHM CCN(C(=O)c1cc(C(C)C)on1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825379152 729380961 /nfs/dbraw/zinc/38/09/61/729380961.db2.gz BADNTPZEDIPJDM-UHFFFAOYSA-N -1 3 360.805 3.298 20 0 FGADHM CCS[C@H]1CCC[C@@H](NC(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)C1 ZINC000825669348 729390946 /nfs/dbraw/zinc/39/09/46/729390946.db2.gz VUMFYFXEFKQEBS-NEPJUHHUSA-N -1 3 365.890 3.314 20 0 FGADHM CCS[C@H]1CCC[C@@H](NC(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)C1 ZINC000825669348 729390947 /nfs/dbraw/zinc/39/09/47/729390947.db2.gz VUMFYFXEFKQEBS-NEPJUHHUSA-N -1 3 365.890 3.314 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1CNc1ccc(C(C)=O)c(Cl)c1 ZINC000826184316 729406147 /nfs/dbraw/zinc/40/61/47/729406147.db2.gz SHMPYBCUDWFJJM-UHFFFAOYSA-N -1 3 357.801 3.343 20 0 FGADHM CS[C@@H]1CC[C@H](NC(=O)c2c(Cl)cc(-c3nnn[n-]3)cc2Cl)C1 ZINC000826227677 729406426 /nfs/dbraw/zinc/40/64/26/729406426.db2.gz VOASYIDTKIHWSR-DTWKUNHWSA-N -1 3 372.281 3.187 20 0 FGADHM CS[C@@H]1CC[C@H](NC(=O)c2c(Cl)cc(-c3nn[n-]n3)cc2Cl)C1 ZINC000826227677 729406427 /nfs/dbraw/zinc/40/64/27/729406427.db2.gz VOASYIDTKIHWSR-DTWKUNHWSA-N -1 3 372.281 3.187 20 0 FGADHM CS[C@H]1CC[C@@H](Nc2ccc(Br)cc2-c2nnn[n-]2)C1 ZINC000826226736 729406499 /nfs/dbraw/zinc/40/64/99/729406499.db2.gz FMWUECDTLYLJQQ-ZJUUUORDSA-N -1 3 354.277 3.325 20 0 FGADHM CS[C@H]1CC[C@@H](Nc2ccc(Br)cc2-c2nn[n-]n2)C1 ZINC000826226736 729406500 /nfs/dbraw/zinc/40/65/00/729406500.db2.gz FMWUECDTLYLJQQ-ZJUUUORDSA-N -1 3 354.277 3.325 20 0 FGADHM Cc1c(Cl)cnc(N[C@@H]2COc3cc(F)cc(F)c32)c1-c1nnn[n-]1 ZINC000826239485 729406696 /nfs/dbraw/zinc/40/66/96/729406696.db2.gz IUXVQSDCNATTKR-SNVBAGLBSA-N -1 3 364.743 3.047 20 0 FGADHM Cc1c(Cl)cnc(N[C@@H]2COc3cc(F)cc(F)c32)c1-c1nn[n-]n1 ZINC000826239485 729406697 /nfs/dbraw/zinc/40/66/97/729406697.db2.gz IUXVQSDCNATTKR-SNVBAGLBSA-N -1 3 364.743 3.047 20 0 FGADHM Clc1ccc(-c2nnn[n-]2)c(N2CC[C@H](COc3ccccc3)C2)c1 ZINC000826351188 729407320 /nfs/dbraw/zinc/40/73/20/729407320.db2.gz BFYNKAUJHYLQCJ-ZDUSSCGKSA-N -1 3 355.829 3.425 20 0 FGADHM Clc1ccc(-c2nn[n-]n2)c(N2CC[C@H](COc3ccccc3)C2)c1 ZINC000826351188 729407321 /nfs/dbraw/zinc/40/73/21/729407321.db2.gz BFYNKAUJHYLQCJ-ZDUSSCGKSA-N -1 3 355.829 3.425 20 0 FGADHM Clc1cccc(-c2nnn[n-]2)c1N1CC[C@H](COc2ccccc2)C1 ZINC000826352737 729407474 /nfs/dbraw/zinc/40/74/74/729407474.db2.gz MFHZTLKKBIITRN-ZDUSSCGKSA-N -1 3 355.829 3.425 20 0 FGADHM Clc1cccc(-c2nn[n-]n2)c1N1CC[C@H](COc2ccccc2)C1 ZINC000826352737 729407475 /nfs/dbraw/zinc/40/74/75/729407475.db2.gz MFHZTLKKBIITRN-ZDUSSCGKSA-N -1 3 355.829 3.425 20 0 FGADHM FC(F)(F)c1cc(SCc2noc(C3CC3)n2)ccc1-c1nnn[n-]1 ZINC000826368064 729407599 /nfs/dbraw/zinc/40/75/99/729407599.db2.gz AHZGJQFLVQVNLS-UHFFFAOYSA-N -1 3 368.344 3.438 20 0 FGADHM FC(F)(F)c1cc(SCc2noc(C3CC3)n2)ccc1-c1nn[n-]n1 ZINC000826368064 729407600 /nfs/dbraw/zinc/40/76/00/729407600.db2.gz AHZGJQFLVQVNLS-UHFFFAOYSA-N -1 3 368.344 3.438 20 0 FGADHM Fc1cc(-c2nnn[n-]2)ccc1SCc1nnc(C2CC2)n1C1CC1 ZINC000826372358 729407683 /nfs/dbraw/zinc/40/76/83/729407683.db2.gz SPENCPLGXUAFQL-UHFFFAOYSA-N -1 3 357.418 3.102 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1SCc1nnc(C2CC2)n1C1CC1 ZINC000826372358 729407684 /nfs/dbraw/zinc/40/76/84/729407684.db2.gz SPENCPLGXUAFQL-UHFFFAOYSA-N -1 3 357.418 3.102 20 0 FGADHM O=C1Nc2c(cccc2Br)C1=Cc1ccc(-c2nnn[n-]2)s1 ZINC000826482853 729408462 /nfs/dbraw/zinc/40/84/62/729408462.db2.gz SKUPFOCRJLPOKV-RMKNXTFCSA-N -1 3 374.223 3.183 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1cscn1)c1ccc(C(F)(F)F)nc1Cl ZINC000827643460 729432745 /nfs/dbraw/zinc/43/27/45/729432745.db2.gz MGQPGMJJILDNCE-LURJTMIESA-N -1 3 371.793 3.250 20 0 FGADHM COc1ccc2c(c1)CCC(S(=O)(=O)[N-]c1cnn(C(F)F)c1)=C2 ZINC000829915230 729522629 /nfs/dbraw/zinc/52/26/29/729522629.db2.gz CUSDKMJZGCYQIQ-UHFFFAOYSA-N -1 3 355.366 3.016 20 0 FGADHM CC(C)[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2ccc(Cl)nc2Cl)CCO1 ZINC000832179828 729695035 /nfs/dbraw/zinc/69/50/35/729695035.db2.gz GEGUWKXJVAIJNQ-QWRGUYRKSA-N -1 3 367.298 3.118 20 0 FGADHM CC(C)[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)CCO1 ZINC000832180985 729695199 /nfs/dbraw/zinc/69/51/99/729695199.db2.gz YVGNSUVTCYKHPU-GWCFXTLKSA-N -1 3 367.298 3.118 20 0 FGADHM C[C@@]1(COC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])CC1(Cl)Cl ZINC000837425533 730028500 /nfs/dbraw/zinc/02/85/00/730028500.db2.gz RCBGTRFWBMEDHW-WBMJQRKESA-N -1 3 372.248 3.124 20 0 FGADHM O=C(CC[C@H]1CCCCO1)COC(=O)CCCc1ccc([O-])c(F)c1 ZINC000837663021 730051832 /nfs/dbraw/zinc/05/18/32/730051832.db2.gz YHDFTBSPLSBOQH-MRXNPFEDSA-N -1 3 352.402 3.316 20 0 FGADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3cnn4c3CCC4)nc(=O)c2c1C ZINC000838085333 730088962 /nfs/dbraw/zinc/08/89/62/730088962.db2.gz OQUYOSIXJKZXGW-SECBINFHSA-N -1 3 358.423 3.074 20 0 FGADHM C[C@H](C[N-]S(=O)(=O)c1cc2c(cc1Cl)CCC2=O)CC(F)(F)F ZINC000841562777 730256778 /nfs/dbraw/zinc/25/67/78/730256778.db2.gz CHZWIKLICHFOFB-QMMMGPOBSA-N -1 3 369.792 3.336 20 0 FGADHM CN(CCCOC(=O)c1ccc(N)c(Cl)c1[O-])C(=O)OC(C)(C)C ZINC000845191197 730817819 /nfs/dbraw/zinc/81/78/19/730817819.db2.gz FTFZVSYXKLLLIY-UHFFFAOYSA-N -1 3 358.822 3.042 20 0 FGADHM O=C([O-])[C@@]1(c2ccccc2)CCN(Cc2ncccc2C(F)(F)F)C1 ZINC000846279517 730942902 /nfs/dbraw/zinc/94/29/02/730942902.db2.gz BWRWLYFRSWIKPP-KRWDZBQOSA-N -1 3 350.340 3.329 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1cnc(Cl)c(F)c1)C1CCC(F)(F)CC1 ZINC000848509076 731172663 /nfs/dbraw/zinc/17/26/63/731172663.db2.gz KMFMRTJYPJFZBT-MRVPVSSYSA-N -1 3 356.797 3.366 20 0 FGADHM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]CC[C@]2(C)CC2(F)F)c1 ZINC000849461043 731262365 /nfs/dbraw/zinc/26/23/65/731262365.db2.gz MBXNPSANNCCQMV-CYBMUJFWSA-N -1 3 351.802 3.256 20 0 FGADHM CC[C@H](COC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])CC(F)F ZINC000849684421 731272396 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ZINC000129241366 495216433 /nfs/dbraw/zinc/21/64/33/495216433.db2.gz CWUGWCXPXBDBDS-UHFFFAOYSA-N -1 3 366.768 3.427 20 0 FGADHM O=C(Nc1cccc([O-])c1F)c1ccc(I)cc1 ZINC000129411067 495242114 /nfs/dbraw/zinc/24/21/14/495242114.db2.gz UQOZTJBYXWLQDU-UHFFFAOYSA-N -1 3 357.122 3.388 20 0 FGADHM Cn1[n-]c(-c2ccccc2Cl)nc1=NC(=O)c1noc2c1CCCCC2 ZINC000577671767 505772049 /nfs/dbraw/zinc/77/20/49/505772049.db2.gz HJOLGDVWZHOPNK-UHFFFAOYSA-N -1 3 371.828 3.067 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Br)c2)cc1 ZINC000135355976 495281639 /nfs/dbraw/zinc/28/16/39/495281639.db2.gz MZQKFICARXNVEB-UHFFFAOYSA-N -1 3 360.204 3.398 20 0 FGADHM COc1cccc(CNC(=O)c2ccc3n[n-]nc3c2)c1OC1CCCC1 ZINC000113216891 495285100 /nfs/dbraw/zinc/28/51/00/495285100.db2.gz CMMIUAHGIHBOCB-UHFFFAOYSA-N -1 3 366.421 3.218 20 0 FGADHM Cc1nc2sc3c(c2c(N2CCc4c(nc[n-]c4=O)C2)n1)CC[C@H](C)C3 ZINC000577676528 505772858 /nfs/dbraw/zinc/77/28/58/505772858.db2.gz ILRLHZULBUXERQ-JTQLQIEISA-N -1 3 367.478 3.183 20 0 FGADHM Cc1ccc(-c2nc(SCC(=O)Nc3ccc([O-])cc3F)n[nH]2)cc1 ZINC000124487888 495295777 /nfs/dbraw/zinc/29/57/77/495295777.db2.gz PXRQXWNLDIZEGC-UHFFFAOYSA-N -1 3 358.398 3.356 20 0 FGADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H](C)c2ccccc2)cc1Cl ZINC000104731893 495302125 /nfs/dbraw/zinc/30/21/25/495302125.db2.gz CGANSXUHKPKVBH-JTQLQIEISA-N -1 3 370.833 3.477 20 0 FGADHM Cc1nc([C@H]([N-]C(=O)CC(F)(F)F)c2ccc(Cl)c(F)c2)no1 ZINC000124564609 495308435 /nfs/dbraw/zinc/30/84/35/495308435.db2.gz LFRJUIPXCUJELO-LLVKDONJSA-N -1 3 351.687 3.329 20 0 FGADHM C[C@@H](NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)c1cccc(C(F)(F)F)c1 ZINC000104823464 495308700 /nfs/dbraw/zinc/30/87/00/495308700.db2.gz HHBRMPJYPALBAC-SECBINFHSA-N -1 3 362.307 3.080 20 0 FGADHM CC[C@@H](C)N(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000120153286 495317180 /nfs/dbraw/zinc/31/71/80/495317180.db2.gz MGZCYXBLWZEYBG-CYBMUJFWSA-N -1 3 364.442 3.497 20 0 FGADHM C[C@H](C[S@@](C)=O)N(C)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000135611391 495317960 /nfs/dbraw/zinc/31/79/60/495317960.db2.gz UAWRRKOWMWZKRD-BZQUYTCOSA-N -1 3 359.491 3.016 20 0 FGADHM CC[C@@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)c1csc(=O)[n-]1 ZINC000571622183 505775358 /nfs/dbraw/zinc/77/53/58/505775358.db2.gz OHPRTLDHRAKTRA-GFCCVEGCSA-N -1 3 361.467 3.345 20 0 FGADHM Cc1ccc([O-])c(CN[C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)n1 ZINC000113960602 495340342 /nfs/dbraw/zinc/34/03/42/495340342.db2.gz OSTLBKXXVLBYPB-CQSZACIVSA-N -1 3 365.355 3.010 20 0 FGADHM CCN(CC)c1ccc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)cn1 ZINC000120270232 495340629 /nfs/dbraw/zinc/34/06/29/495340629.db2.gz WHOIHULCQKVAEB-UHFFFAOYSA-N -1 3 368.412 3.469 20 0 FGADHM CCC[C@H](CCc1ccccc1)NC(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000130196503 495355380 /nfs/dbraw/zinc/35/53/80/495355380.db2.gz QDQHSPMUQJVUQW-GOSISDBHSA-N -1 3 355.482 3.237 20 0 FGADHM CCCn1ncc(C(=O)Nc2n[n-]c(-c3ccccc3F)n2)c1C1CC1 ZINC000130212169 495357384 /nfs/dbraw/zinc/35/73/84/495357384.db2.gz KWYZAHRSVBUYOA-UHFFFAOYSA-N -1 3 354.389 3.347 20 0 FGADHM COc1ccc(C(=O)N2CCCC2)cc1NC(=O)c1cccc(C)c1[O-] ZINC000130226746 495359718 /nfs/dbraw/zinc/35/97/18/495359718.db2.gz QWSCPXYHBFJKSR-UHFFFAOYSA-N -1 3 354.406 3.198 20 0 FGADHM O=C(Cc1ccc([O-])cc1Cl)Nc1ccn(CCc2ccncc2)n1 ZINC000136240037 495366745 /nfs/dbraw/zinc/36/67/45/495366745.db2.gz BWLSFXBBWBYFCR-UHFFFAOYSA-N -1 3 356.813 3.061 20 0 FGADHM COC(=O)c1ccc(C(=O)Nc2ccc(OCC(F)(F)F)c(C)c2)[n-]1 ZINC000574469701 505779907 /nfs/dbraw/zinc/77/99/07/505779907.db2.gz PYNRVTOTJDRVPQ-UHFFFAOYSA-N -1 3 356.300 3.303 20 0 FGADHM O=C(c1c[n-]c2ccccc2c1=O)N1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000120562807 495406150 /nfs/dbraw/zinc/40/61/50/495406150.db2.gz JZPAIPFQBILPLA-CYBMUJFWSA-N -1 3 368.820 3.475 20 0 FGADHM Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(Cc3nnn[n-]3)cc2)c1 ZINC000136994614 495416694 /nfs/dbraw/zinc/41/66/94/495416694.db2.gz UOUWZXVFHJIGFS-UHFFFAOYSA-N -1 3 365.437 3.240 20 0 FGADHM Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(Cc3nn[n-]n3)cc2)c1 ZINC000136994614 495416697 /nfs/dbraw/zinc/41/66/97/495416697.db2.gz 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COC[C@H](NC(=O)c1c[n-]c2c(C)cc(F)cc2c1=O)c1ccccc1 ZINC000130906150 495464944 /nfs/dbraw/zinc/46/49/44/495464944.db2.gz RMACTRDEBADWDY-KRWDZBQOSA-N -1 3 354.381 3.093 20 0 FGADHM CCc1cc(=O)[n-]c(CSCC(=O)N(CC(C)C)CC(F)(F)F)n1 ZINC000125648325 495476657 /nfs/dbraw/zinc/47/66/57/495476657.db2.gz HFDYXSQRAJGDNW-UHFFFAOYSA-N -1 3 365.421 3.025 20 0 FGADHM COc1ccc(C(=O)N(C)CCc2ccc(Br)cc2)c([O-])c1 ZINC000106666731 495483857 /nfs/dbraw/zinc/48/38/57/495483857.db2.gz QRFBAAMCSWJIQU-UHFFFAOYSA-N -1 3 364.239 3.478 20 0 FGADHM CCc1cc(=O)[n-]c(CS[C@@H]2CCN(c3ccccc3Cl)C2=O)n1 ZINC000125740132 495490408 /nfs/dbraw/zinc/49/04/08/495490408.db2.gz MSKOADIQSAEARP-CQSZACIVSA-N -1 3 363.870 3.437 20 0 FGADHM Cc1cccc2cc(C(=O)Nc3ccc([C@]4(C)NC(=O)[N-]C4=O)cc3)oc21 ZINC000140305589 495492853 /nfs/dbraw/zinc/49/28/53/495492853.db2.gz QTBJWORFSFXMAO-FQEVSTJZSA-N -1 3 363.373 3.048 20 0 FGADHM O=C(NC[C@H]1CCCO[C@@H]1c1ccccc1)c1cc(=O)c2ccccc2[n-]1 ZINC000140297077 495492914 /nfs/dbraw/zinc/49/29/14/495492914.db2.gz IBZKIAGYSNNXBL-IIBYNOLFSA-N -1 3 362.429 3.426 20 0 FGADHM CCc1[nH]n(C)c2nnc([N-]C(=O)c3cc(-c4ccc(C)cc4)no3)c1-2 ZINC000115496394 495511251 /nfs/dbraw/zinc/51/12/51/495511251.db2.gz OCGURMIGQCFJMV-UHFFFAOYSA-N -1 3 350.382 3.075 20 0 FGADHM CC(C)Oc1ccc(C[N-]S(=O)(=O)c2c(F)cccc2Cl)cn1 ZINC000131260968 495513192 /nfs/dbraw/zinc/51/31/92/495513192.db2.gz ICRGYQHQAZDOIC-UHFFFAOYSA-N -1 3 358.822 3.140 20 0 FGADHM CC(=O)NCc1ccc(S(=O)(=O)[N-][C@H](C)CCC2CCCCC2)s1 ZINC000115586769 495520228 /nfs/dbraw/zinc/52/02/28/495520228.db2.gz BCWKHDQWFUBKJI-CYBMUJFWSA-N -1 3 372.556 3.412 20 0 FGADHM Cc1nc(C)c(CC(=O)NC(C)(C)c2ccc(OCC(C)C)cc2)c(=O)[n-]1 ZINC000107271819 495524560 /nfs/dbraw/zinc/52/45/60/495524560.db2.gz CVYGOWIYSFKPHA-UHFFFAOYSA-N -1 3 371.481 3.016 20 0 FGADHM COc1ccc(Br)cc1S(=O)(=O)[N-][C@H](C)C(C)(C)C ZINC000107482204 495528096 /nfs/dbraw/zinc/52/80/96/495528096.db2.gz GFVXVAUMSHIOFM-SECBINFHSA-N -1 3 350.278 3.171 20 0 FGADHM O=S(=O)([N-]c1cc(Br)ccc1F)c1ccc2c(c1)OCO2 ZINC000182373312 495537453 /nfs/dbraw/zinc/53/74/53/495537453.db2.gz ZNJWVSYDGNZILX-UHFFFAOYSA-N -1 3 374.187 3.118 20 0 FGADHM O=C(Nc1cccc(OCc2cscn2)c1)c1ccc2n[n-]nc2c1 ZINC000170631038 495539768 /nfs/dbraw/zinc/53/97/68/495539768.db2.gz ZNWSWQJYADOWEJ-UHFFFAOYSA-N -1 3 351.391 3.246 20 0 FGADHM O=S(=O)([N-]C[C@@H]1CCCO[C@H]1c1ccccc1)c1ccc(F)cc1F ZINC000146316030 495564738 /nfs/dbraw/zinc/56/47/38/495564738.db2.gz ZWKIUCJGFWKMPI-KSSFIOAISA-N -1 3 367.417 3.411 20 0 FGADHM COc1ccc([C@@H]2CCCN2C(=O)/C=C/c2cncc([O-])c2)cc1OC ZINC000179405389 495579221 /nfs/dbraw/zinc/57/92/21/495579221.db2.gz RZRPGXDYSMMVRC-JZLODUJNSA-N -1 3 354.406 3.181 20 0 FGADHM O=S(=O)([N-][C@H]1CCCC[C@H]1n1cccn1)c1ccc(F)cc1Cl ZINC000173539033 495579894 /nfs/dbraw/zinc/57/98/94/495579894.db2.gz IFTCHOCNSDRBLN-UONOGXRCSA-N -1 3 357.838 3.138 20 0 FGADHM C[C@H](Oc1ccccc1C(F)(F)F)C(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000170725375 495581499 /nfs/dbraw/zinc/58/14/99/495581499.db2.gz 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COc1cc(OC)cc([C@H](NCc2cc([O-])cc(F)c2)c2nccn2C)c1 ZINC000185460752 495585254 /nfs/dbraw/zinc/58/52/54/495585254.db2.gz LLIIKOSMLUTAOU-IBGZPJMESA-N -1 3 371.412 3.161 20 0 FGADHM CC(C)[C@@H]1N(C(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)CC12CCCC2 ZINC000568844714 505790578 /nfs/dbraw/zinc/79/05/78/505790578.db2.gz XHAYTQJMALWVJN-INIZCTEOSA-N -1 3 368.474 3.238 20 0 FGADHM [O-]c1cc(F)cc(CNCc2cc3c(c(Br)c2)OCO3)c1 ZINC000185491424 495596629 /nfs/dbraw/zinc/59/66/29/495596629.db2.gz FFUSHBBAGLRWJY-UHFFFAOYSA-N -1 3 354.175 3.312 20 0 FGADHM CCOC(=O)c1ccc(NC(=O)c2cc3c(C)nn(C)c3s2)c([O-])c1 ZINC000173631323 495622018 /nfs/dbraw/zinc/62/20/18/495622018.db2.gz USMFDJDLZLLCPY-UHFFFAOYSA-N -1 3 359.407 3.078 20 0 FGADHM Cc1cccc(C(=O)N2CCCC[C@H]2CNC(=O)c2ccccc2)c1[O-] ZINC000173638365 495627185 /nfs/dbraw/zinc/62/71/85/495627185.db2.gz GNEDFOLWSSDROS-KRWDZBQOSA-N -1 3 352.434 3.125 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CC[C@H](CC(C)C)C2)c1 ZINC000179530692 495630336 /nfs/dbraw/zinc/63/03/36/495630336.db2.gz HHYNEGGZPSLMRJ-CQSZACIVSA-N -1 3 371.437 3.449 20 0 FGADHM CC(=O)N1CCCc2cc(NC(=O)c3c[n-]c4ccccc4c3=O)ccc21 ZINC000158982316 495630738 /nfs/dbraw/zinc/63/07/38/495630738.db2.gz FBHVTKICXNXBTN-UHFFFAOYSA-N -1 3 361.401 3.080 20 0 FGADHM CC(=O)N1CCCc2cc(NC(=O)c3cnc4ccccc4c3[O-])ccc21 ZINC000158982316 495630743 /nfs/dbraw/zinc/63/07/43/495630743.db2.gz FBHVTKICXNXBTN-UHFFFAOYSA-N -1 3 361.401 3.080 20 0 FGADHM C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)NCc1ccc([O-])c(F)c1 ZINC000176389716 495633334 /nfs/dbraw/zinc/63/33/34/495633334.db2.gz RKMSNLDJERFMCY-UOXLDJKESA-N -1 3 364.442 3.171 20 0 FGADHM CCc1noc2ncc(S(=O)(=O)[N-]c3cc(OC)ccc3Cl)cc12 ZINC000185590664 495635133 /nfs/dbraw/zinc/63/51/33/495635133.db2.gz DPODXVPKRFEPLJ-UHFFFAOYSA-N -1 3 367.814 3.248 20 0 FGADHM COc1cccc2c(C(=O)Nc3cccc(Nc4cnn(C)c4)c3)[n-]nc21 ZINC000580603069 505794607 /nfs/dbraw/zinc/79/46/07/505794607.db2.gz ULUWJRGUQNDZOM-UHFFFAOYSA-N -1 3 362.393 3.301 20 0 FGADHM COc1cccc2c(C(=O)Nc3cccc(Nc4cnn(C)c4)c3)n[n-]c21 ZINC000580603069 505794608 /nfs/dbraw/zinc/79/46/08/505794608.db2.gz ULUWJRGUQNDZOM-UHFFFAOYSA-N -1 3 362.393 3.301 20 0 FGADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]CCC2=CCCC2)cc1Cl ZINC000159117895 495663125 /nfs/dbraw/zinc/66/31/25/495663125.db2.gz PFOFUQLMJAKHHS-UHFFFAOYSA-N -1 3 360.838 3.216 20 0 FGADHM O=C(N=c1cc2ccccn2[n-]1)N1CC[C@H](CSc2ccccc2)C1 ZINC000568861387 505795903 /nfs/dbraw/zinc/79/59/03/505795903.db2.gz BLMCMTAHXPQMRI-HNNXBMFYSA-N -1 3 352.463 3.402 20 0 FGADHM COc1cc(C(=O)N[C@@H](C)Cc2nc3ccccc3s2)cc(OC)c1[O-] ZINC000150896464 495672550 /nfs/dbraw/zinc/67/25/50/495672550.db2.gz UCKUBUGLZRTOJH-NSHDSACASA-N -1 3 372.446 3.380 20 0 FGADHM COc1ccc(N[C@@H]2CCc3cc(F)ccc32)cc1[N-]S(C)(=O)=O ZINC000182735716 495681403 /nfs/dbraw/zinc/68/14/03/495681403.db2.gz LOAIANKPEAVUCV-OAHLLOKOSA-N -1 3 350.415 3.305 20 0 FGADHM Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)c2ccc3n[n-]nc3c2)C1 ZINC000171011908 495688948 /nfs/dbraw/zinc/68/89/48/495688948.db2.gz MFVLJQREFXIRCO-ZDUSSCGKSA-N -1 3 369.856 3.176 20 0 FGADHM O=C(NCc1ccc(Oc2cccc(F)c2)nc1)c1cccc2nn[n-]c21 ZINC000182754451 495690175 /nfs/dbraw/zinc/69/01/75/495690175.db2.gz WQXMIAQNXMBTQM-UHFFFAOYSA-N -1 3 363.352 3.214 20 0 FGADHM O=C(NCc1ccc(Oc2cccc(F)c2)nc1)c1cccc2[n-]nnc21 ZINC000182754451 495690183 /nfs/dbraw/zinc/69/01/83/495690183.db2.gz WQXMIAQNXMBTQM-UHFFFAOYSA-N -1 3 363.352 3.214 20 0 FGADHM O=C(NCc1ccc(Oc2cccc(F)c2)nc1)c1cccc2n[n-]nc21 ZINC000182754451 495690188 /nfs/dbraw/zinc/69/01/88/495690188.db2.gz WQXMIAQNXMBTQM-UHFFFAOYSA-N -1 3 363.352 3.214 20 0 FGADHM Cc1cccc(F)c1S(=O)(=O)[N-]Cc1nccn1CCc1ccccc1 ZINC000185716788 495694378 /nfs/dbraw/zinc/69/43/78/495694378.db2.gz GOXIFVQJOHJLHO-UHFFFAOYSA-N -1 3 373.453 3.052 20 0 FGADHM CC(C)[C@@H](C)NC(=O)C1CCN(C(=O)c2ccc3c(c2[O-])CCCC3)CC1 ZINC000185715939 495694424 /nfs/dbraw/zinc/69/44/24/495694424.db2.gz BEVJERIJOAJGSZ-OAHLLOKOSA-N -1 3 372.509 3.284 20 0 FGADHM CC[C@@H]([N-]S(=O)(=O)c1c(C)nn(CC(C)C)c1C)c1c(C)noc1C ZINC000182778203 495699364 /nfs/dbraw/zinc/69/93/64/495699364.db2.gz PSUJMPDCUSMMMA-OAHLLOKOSA-N -1 3 368.503 3.190 20 0 FGADHM CCc1cnc(C[N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2)s1 ZINC000173812506 495703555 /nfs/dbraw/zinc/70/35/55/495703555.db2.gz STAQAAVGUDWYML-UHFFFAOYSA-N -1 3 366.386 3.083 20 0 FGADHM CC[C@@H]([N-]S(=O)(=O)C[C@@H]1CCCCO1)c1nc(C(F)(F)F)cs1 ZINC000173838019 495713627 /nfs/dbraw/zinc/71/36/27/495713627.db2.gz SPODCPBKDIUOPB-VHSXEESVSA-N -1 3 372.434 3.102 20 0 FGADHM Cc1ccc(-c2nnc(NC(=O)c3ccc(-c4cncnc4)cc3F)[n-]2)o1 ZINC000185764411 495716499 /nfs/dbraw/zinc/71/64/99/495716499.db2.gz PRCTVSJQTYXGRS-UHFFFAOYSA-N -1 3 364.340 3.222 20 0 FGADHM Cc1ccc(-c2n[n-]c(NC(=O)c3ccc(-c4cncnc4)cc3F)n2)o1 ZINC000185764411 495716502 /nfs/dbraw/zinc/71/65/02/495716502.db2.gz PRCTVSJQTYXGRS-UHFFFAOYSA-N -1 3 364.340 3.222 20 0 FGADHM Cc1ccc(-c2nc(NC(=O)c3ccc(-c4cncnc4)cc3F)n[n-]2)o1 ZINC000185764411 495716508 /nfs/dbraw/zinc/71/65/08/495716508.db2.gz PRCTVSJQTYXGRS-UHFFFAOYSA-N -1 3 364.340 3.222 20 0 FGADHM COc1cc(=NC(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C2CC2)[n-]n1C ZINC000577829019 505799341 /nfs/dbraw/zinc/79/93/41/505799341.db2.gz HTXUETNBJBKIQA-OAHLLOKOSA-N -1 3 368.359 3.142 20 0 FGADHM CCCS(=O)(=O)[N-]c1ccc(C(=O)N2CCc3cc(OC)ccc32)cc1 ZINC000171100104 495724147 /nfs/dbraw/zinc/72/41/47/495724147.db2.gz UPSAPFJERFUYEH-UHFFFAOYSA-N -1 3 374.462 3.050 20 0 FGADHM Cc1nnnn1[C@@H](Cc1ccccc1)C(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000179802369 495738553 /nfs/dbraw/zinc/73/85/53/495738553.db2.gz PEEUHQQSVZOVOT-INIZCTEOSA-N -1 3 371.828 3.071 20 0 FGADHM CCC(=O)N1CSC[C@@H]1C(=O)Nc1cc(Cc2ccccc2)ccc1[O-] ZINC000179809970 495744238 /nfs/dbraw/zinc/74/42/38/495744238.db2.gz WPUJNXHBCWNJSP-QGZVFWFLSA-N -1 3 370.474 3.233 20 0 FGADHM Cc1cccc(CN(CCN(C)C)C(=O)c2cc(F)c(F)c([O-])c2F)c1 ZINC000185848872 495749189 /nfs/dbraw/zinc/74/91/89/495749189.db2.gz LGTFLGPUJFTIQJ-UHFFFAOYSA-N -1 3 366.383 3.322 20 0 FGADHM C[C@H](NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C1CC1 ZINC000182906947 495752071 /nfs/dbraw/zinc/75/20/71/495752071.db2.gz JGZYIUSOANQRBZ-LIRRHRJNSA-N -1 3 352.434 3.168 20 0 FGADHM C[C@]1(c2cccc(C(=O)Nc3cccc4ccccc43)c2)NC(=O)[N-]C1=O ZINC000151177303 495763502 /nfs/dbraw/zinc/76/35/02/495763502.db2.gz SOICSFXRTDNLKK-OAQYLSRUSA-N -1 3 359.385 3.147 20 0 FGADHM CC(=O)[C@@H](C)CCCCC(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000151187096 495765352 /nfs/dbraw/zinc/76/53/52/495765352.db2.gz PBCQCXNQSSAWPB-HNNXBMFYSA-N -1 3 374.481 3.355 20 0 FGADHM O=C(Cc1ccc([O-])cc1Cl)Nc1ccccc1CN1CCC(O)CC1 ZINC000182951553 495771633 /nfs/dbraw/zinc/77/16/33/495771633.db2.gz DNNZTHZRIAKSBC-UHFFFAOYSA-N -1 3 374.868 3.184 20 0 FGADHM COc1cccc([C@H]2C[C@H]2C(=O)Nc2cc(C)ccc2[N-]S(C)(=O)=O)c1 ZINC000173977771 495773165 /nfs/dbraw/zinc/77/31/65/495773165.db2.gz DUTQYKXDEFOOBU-HZPDHXFCSA-N -1 3 374.462 3.117 20 0 FGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)Cc2ccc(Cl)cc2)c1 ZINC000173981528 495774382 /nfs/dbraw/zinc/77/43/82/495774382.db2.gz PREHFYWHOFTUDF-UHFFFAOYSA-N -1 3 352.843 3.201 20 0 FGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)c2cc3nc(C)ccc3o2)c1 ZINC000173983609 495775349 /nfs/dbraw/zinc/77/53/49/495775349.db2.gz SEAAXRIMLLAZBY-UHFFFAOYSA-N -1 3 359.407 3.068 20 0 FGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)c2ccc(OC(F)F)cc2)c1 ZINC000173982846 495775710 /nfs/dbraw/zinc/77/57/10/495775710.db2.gz GCLQSWBQYWVBMM-UHFFFAOYSA-N -1 3 370.377 3.220 20 0 FGADHM COc1ccc(CN(C)C(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)cc1 ZINC000154978248 495791235 /nfs/dbraw/zinc/79/12/35/495791235.db2.gz JSXNWLJOTCNWGL-UHFFFAOYSA-N -1 3 354.381 3.256 20 0 FGADHM Cc1nc(C)c(S(=O)(=O)[N-]Cc2csc(-c3ccccc3)n2)s1 ZINC000176825117 495802066 /nfs/dbraw/zinc/80/20/66/495802066.db2.gz GXQRBHZQEHICCF-UHFFFAOYSA-N -1 3 365.505 3.362 20 0 FGADHM Cc1cccc([O-])c1NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000183024931 495803192 /nfs/dbraw/zinc/80/31/92/495803192.db2.gz YMNCZUQQOUECDE-UHFFFAOYSA-N -1 3 356.397 3.331 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N(C)CCOc3ccc(F)cc3)c[n-]c12 ZINC000155048198 495816761 /nfs/dbraw/zinc/81/67/61/495816761.db2.gz NXUXXUBYFNVSCR-UHFFFAOYSA-N -1 3 372.371 3.266 20 0 FGADHM CC[C@H]1Oc2cc([C@@H](C)NC(=O)c3cccc(C)c3[O-])ccc2NC1=O ZINC000174099741 495820207 /nfs/dbraw/zinc/82/02/07/495820207.db2.gz VAVWQVCBPLYSHB-MLGOLLRUSA-N -1 3 354.406 3.301 20 0 FGADHM CCOc1ccccc1C(=O)NCCCC(=O)Nc1c(C)cccc1[O-] ZINC000183075140 495824384 /nfs/dbraw/zinc/82/43/84/495824384.db2.gz RKCBXKGKYKPDPO-UHFFFAOYSA-N -1 3 356.422 3.248 20 0 FGADHM O=C([O-])[C@H](c1cccc(Br)c1)N1CCOC[C@H](C2CCC2)C1 ZINC000577856611 505806149 /nfs/dbraw/zinc/80/61/49/505806149.db2.gz DCNZMWOFSYCMMG-ZBFHGGJFSA-N -1 3 368.271 3.323 20 0 FGADHM Cc1cccc([N-]S(=O)(=O)c2cc3c(cc2Cl)NC(=O)C3)c1F ZINC000180021059 495826046 /nfs/dbraw/zinc/82/60/46/495826046.db2.gz ANBVLCYNXUHEEW-UHFFFAOYSA-N -1 3 354.790 3.083 20 0 FGADHM Cc1nc(CC(=O)NCc2ccc([O-])c(Br)c2)c(C)s1 ZINC000151563101 495879725 /nfs/dbraw/zinc/87/97/25/495879725.db2.gz UVIWYMBNBVHVSI-UHFFFAOYSA-N -1 3 355.257 3.087 20 0 FGADHM CC[C@@H]1CN(c2c(C(=O)[O-])cnc3c(C)c(C)ccc32)C[C@@]2(CCOC2)O1 ZINC000571764369 505809917 /nfs/dbraw/zinc/80/99/17/505809917.db2.gz WFCDHLZGLFXQJU-QVKFZJNVSA-N -1 3 370.449 3.324 20 0 FGADHM C[C@@H]1CCC[C@@H](OCC(=O)NCc2ccc([O-])c(Br)c2)C1 ZINC000151628103 495898703 /nfs/dbraw/zinc/89/87/03/495898703.db2.gz FADRZMBFFHINEZ-DGCLKSJQSA-N -1 3 356.260 3.366 20 0 FGADHM CC(=O)N[C@H](CC(=O)Nc1ccc([O-])cc1F)c1ccc(Cl)cc1 ZINC000183257357 495904086 /nfs/dbraw/zinc/90/40/86/495904086.db2.gz DQMQQPXRTXZSQM-MRXNPFEDSA-N -1 3 350.777 3.391 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3ccn(-c4ccccc4)n3)c[n-]c12 ZINC000155283729 495904139 /nfs/dbraw/zinc/90/41/39/495904139.db2.gz PBENKRRBYNZELH-UHFFFAOYSA-N -1 3 362.364 3.414 20 0 FGADHM CC(C)Oc1ccccc1C[S@@](=O)Cc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000155346145 495928183 /nfs/dbraw/zinc/92/81/83/495928183.db2.gz UMHOLJVTJJLKRZ-VWLOTQADSA-N -1 3 374.384 3.437 20 0 FGADHM C[C@@H]1CCN(C(=O)[C@@H]2CN(Cc3ccccc3)CCO2)c2c([O-])cccc21 ZINC000186294493 495933121 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COc1cc(C(=O)[N-]c2cccc(C(=O)N3CCc4ccccc43)c2)on1 ZINC000153101384 496354211 /nfs/dbraw/zinc/35/42/11/496354211.db2.gz JOQZAPIAUMIYCW-UHFFFAOYSA-N -1 3 363.373 3.138 20 0 FGADHM Cc1noc(C2CCN(C(=O)c3c[n-]c4c(C)cc(C)cc4c3=O)CC2)n1 ZINC000162457261 496355563 /nfs/dbraw/zinc/35/55/63/496355563.db2.gz KXXUVJFIJYBVPQ-UHFFFAOYSA-N -1 3 366.421 3.268 20 0 FGADHM O=C(Nc1ccc(CN2CCOCC2)cc1)c1cn[n-]c1-c1ccsc1 ZINC000187250781 496360255 /nfs/dbraw/zinc/36/02/55/496360255.db2.gz FISIZJUKMBVURC-UHFFFAOYSA-N -1 3 368.462 3.223 20 0 FGADHM O=C(Nc1ccc(CN2CCOCC2)cc1)c1c[n-]nc1-c1ccsc1 ZINC000187250781 496360263 /nfs/dbraw/zinc/36/02/63/496360263.db2.gz FISIZJUKMBVURC-UHFFFAOYSA-N -1 3 368.462 3.223 20 0 FGADHM O=C(Nc1ccc(Sc2nncs2)cc1)c1cccc2nn[n-]c21 ZINC000187257751 496364014 /nfs/dbraw/zinc/36/40/14/496364014.db2.gz VFXIGDMDBBFVIW-UHFFFAOYSA-N -1 3 354.420 3.213 20 0 FGADHM O=C(Nc1ccc(Sc2nncs2)cc1)c1cccc2[n-]nnc21 ZINC000187257751 496364021 /nfs/dbraw/zinc/36/40/21/496364021.db2.gz 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Cc1cc(C)cc(-c2nnc(NC(=O)c3cc(=O)[n-]c(C4CC4)n3)s2)c1 ZINC000580842548 505851684 /nfs/dbraw/zinc/85/16/84/505851684.db2.gz KUQLLRVFVZBINI-UHFFFAOYSA-N -1 3 367.434 3.447 20 0 FGADHM CCCc1c(C(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)[nH]c(C)c1C(C)=O ZINC000181874009 496580336 /nfs/dbraw/zinc/58/03/36/496580336.db2.gz YALBEBYIJOXOPJ-UHFFFAOYSA-N -1 3 355.398 3.417 20 0 FGADHM CCCc1c(C(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)[nH]c(C)c1C(C)=O ZINC000181874009 496580343 /nfs/dbraw/zinc/58/03/43/496580343.db2.gz YALBEBYIJOXOPJ-UHFFFAOYSA-N -1 3 355.398 3.417 20 0 FGADHM CCCc1c(C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)[nH]c(C)c1C(C)=O ZINC000181874009 496580351 /nfs/dbraw/zinc/58/03/51/496580351.db2.gz YALBEBYIJOXOPJ-UHFFFAOYSA-N -1 3 355.398 3.417 20 0 FGADHM COc1ccc([O-])c(C(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)c1 ZINC000173206307 496592762 /nfs/dbraw/zinc/59/27/62/496592762.db2.gz ZILVJIMCYVDLPF-INIZCTEOSA-N -1 3 354.450 3.137 20 0 FGADHM CO[C@H](CS(=O)(=O)[N-]c1cccc(-c2nc(C)c(C)o2)c1)C1CC1 ZINC000569103281 505853959 /nfs/dbraw/zinc/85/39/59/505853959.db2.gz AIRKXDRAPGOBEY-MRXNPFEDSA-N -1 3 350.440 3.125 20 0 FGADHM CC(C)c1ccc(-n2cc([O-])c(C(=O)N3CC[C@H](N4CCCC4)C3)n2)cc1 ZINC000175920158 496602924 /nfs/dbraw/zinc/60/29/24/496602924.db2.gz XXSPESBDINXXDX-SFHVURJKSA-N -1 3 368.481 3.012 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]CCc2sc(C)nc2C)sc1Cl ZINC000187880308 496606233 /nfs/dbraw/zinc/60/62/33/496606233.db2.gz OSRWBYOULUMROT-UHFFFAOYSA-N -1 3 350.918 3.304 20 0 FGADHM CCOc1cc(CN2CCN(CC(F)(F)F)CC2)cc(Cl)c1[O-] ZINC000574784544 505854945 /nfs/dbraw/zinc/85/49/45/505854945.db2.gz PHGLIFVUFXOVMG-UHFFFAOYSA-N -1 3 352.784 3.124 20 0 FGADHM C[C@H](CC(=O)c1ccccc1)[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000178921877 496618236 /nfs/dbraw/zinc/61/82/36/496618236.db2.gz BFEOQDMHVPKSRN-LLVKDONJSA-N -1 3 355.818 3.419 20 0 FGADHM COc1cccc(Cc2nnc(S[C@@H](C)c3nc(C)cc(=O)[n-]3)o2)c1 ZINC000158067348 496619834 /nfs/dbraw/zinc/61/98/34/496619834.db2.gz XBKPYRJXLDCQMM-NSHDSACASA-N -1 3 358.423 3.326 20 0 FGADHM CCc1cc(NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)ccc1C ZINC000181987569 496624364 /nfs/dbraw/zinc/62/43/64/496624364.db2.gz XVLJSWFHDPJDTJ-UHFFFAOYSA-N -1 3 367.449 3.253 20 0 FGADHM C[C@@H](O)[C@@H]1CCCN(C(=O)c2cc(OCc3ccccc3)ccc2[O-])C1 ZINC000153932194 496628391 /nfs/dbraw/zinc/62/83/91/496628391.db2.gz FRDWIEJSICTKCS-NVXWUHKLSA-N -1 3 355.434 3.204 20 0 FGADHM CCC[C@H](C)c1cc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])n[nH]1 ZINC000173333949 496647098 /nfs/dbraw/zinc/64/70/98/496647098.db2.gz WWVNLICESWZYDS-BBRMVZONSA-N -1 3 370.453 3.262 20 0 FGADHM CCOC(=O)CCN(C(=O)c1c[n-]c2c(C)cc(C)cc2c1=O)C1CC1 ZINC000165121628 496648251 /nfs/dbraw/zinc/64/82/51/496648251.db2.gz UKYAEOPEDHKJMS-UHFFFAOYSA-N -1 3 356.422 3.115 20 0 FGADHM Cc1cccc2c(=O)c(C(=O)Nc3ccn(CC(F)(F)F)n3)c[n-]c12 ZINC000165188085 496651066 /nfs/dbraw/zinc/65/10/66/496651066.db2.gz BXRNKPJPSVHMEH-UHFFFAOYSA-N -1 3 350.300 3.260 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]c2cccc(CN3C[C@@H](C)O[C@H](C)C3)c2)cc1 ZINC000154007038 496651341 /nfs/dbraw/zinc/65/13/41/496651341.db2.gz VQKCXEILNRPEMA-IAGOWNOFSA-N -1 3 374.506 3.405 20 0 FGADHM O=C([N-]OC[C@@H]1CCOC1)[C@@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000188018199 496652676 /nfs/dbraw/zinc/65/26/76/496652676.db2.gz HIOCUEWUUQMTJU-JRGCBEDISA-N -1 3 367.445 3.453 20 0 FGADHM O=C(Cc1ccc([O-])cc1Cl)NCCOc1ncccc1C(F)(F)F ZINC000154034680 496662080 /nfs/dbraw/zinc/66/20/80/496662080.db2.gz WZKRWPSOLDFCPP-UHFFFAOYSA-N -1 3 374.746 3.197 20 0 FGADHM CC[C@@](C)([N-]S(=O)(=O)c1cc(F)c(F)cc1F)c1nc(C)cs1 ZINC000173371267 496662803 /nfs/dbraw/zinc/66/28/03/496662803.db2.gz IOJQTKHZWDGRIO-CQSZACIVSA-N -1 3 364.414 3.473 20 0 FGADHM CC(C)c1csc(C[N-]S(=O)(=O)c2ccccc2OC(F)F)n1 ZINC000154087302 496679414 /nfs/dbraw/zinc/67/94/14/496679414.db2.gz ROEZVJZKCBGUJS-UHFFFAOYSA-N -1 3 362.423 3.346 20 0 FGADHM Cc1[nH]c2ccccc2c1CC[N-]S(=O)(=O)c1cn2c(n1)CCC[C@@H]2C ZINC000580881698 505859609 /nfs/dbraw/zinc/85/96/09/505859609.db2.gz LCAJEXPASIAYOF-ZDUSSCGKSA-N -1 3 372.494 3.091 20 0 FGADHM Cc1cccc(F)c1S(=O)(=O)[N-]Cc1csc(-c2ccco2)n1 ZINC000185211759 496704722 /nfs/dbraw/zinc/70/47/22/496704722.db2.gz QNDUKWYWNZDWCE-UHFFFAOYSA-N -1 3 352.412 3.329 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)[C@H]3C[C@@H]3c3cccc(OC)c3)[n-]c21 ZINC000158450035 496705373 /nfs/dbraw/zinc/70/53/73/496705373.db2.gz CUNWWUIKJRNYMC-CABCVRRESA-N -1 3 365.389 3.100 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@H]3C[C@@H]3c3cccc(OC)c3)nc21 ZINC000158450035 496705376 /nfs/dbraw/zinc/70/53/76/496705376.db2.gz CUNWWUIKJRNYMC-CABCVRRESA-N -1 3 365.389 3.100 20 0 FGADHM C[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2cccc3[n-]nnc32)CC1 ZINC000188181401 496710515 /nfs/dbraw/zinc/71/05/15/496710515.db2.gz NDKNMHXHCJKTMG-CYBMUJFWSA-N -1 3 369.856 3.130 20 0 FGADHM C[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2cccc3nn[n-]c32)CC1 ZINC000188181401 496710520 /nfs/dbraw/zinc/71/05/20/496710520.db2.gz NDKNMHXHCJKTMG-CYBMUJFWSA-N -1 3 369.856 3.130 20 0 FGADHM C[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2cccc3n[n-]nc32)CC1 ZINC000188181401 496710522 /nfs/dbraw/zinc/71/05/22/496710522.db2.gz NDKNMHXHCJKTMG-CYBMUJFWSA-N -1 3 369.856 3.130 20 0 FGADHM C[C@H](C(=O)Nc1ccccc1[N-]S(C)(=O)=O)c1cn(C)c2ccccc12 ZINC000185262868 496720447 /nfs/dbraw/zinc/72/04/47/496720447.db2.gz LEDJCDSSKBKAIX-ZDUSSCGKSA-N -1 3 371.462 3.292 20 0 FGADHM O=C(N[C@H]1CCO[C@@H](C2CC2)C1)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000188243602 496722189 /nfs/dbraw/zinc/72/21/89/496722189.db2.gz LFHQZRDZUXWKDB-CMPLNLGQSA-N -1 3 351.859 3.479 20 0 FGADHM Cc1sc2[n-]c(COc3nnc(-c4ccccc4)o3)nc(=O)c2c1C ZINC000182287667 496726662 /nfs/dbraw/zinc/72/66/62/496726662.db2.gz RKSONDRAJFZOTO-UHFFFAOYSA-N -1 3 354.391 3.230 20 0 FGADHM CCCCNC(=O)C1(NC(=O)Cc2ccc([O-])cc2Cl)CCCCC1 ZINC000182292327 496726879 /nfs/dbraw/zinc/72/68/79/496726879.db2.gz WJZINJRKQFCURD-UHFFFAOYSA-N -1 3 366.889 3.324 20 0 FGADHM Cc1cccc(S(=O)(=O)[N-]Cc2cn(C)nc2-c2ccccc2)c1F ZINC000182324573 496729738 /nfs/dbraw/zinc/72/97/38/496729738.db2.gz AHVVMDOMVSTNNX-UHFFFAOYSA-N -1 3 359.426 3.013 20 0 FGADHM Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2cccc([O-])c2)c(C)c1 ZINC000182337352 496730300 /nfs/dbraw/zinc/73/03/00/496730300.db2.gz DUOYWVDBIGMQQD-QGZVFWFLSA-N -1 3 356.447 3.163 20 0 FGADHM O=C(CCCSc1ccc(Cl)cc1)N1CCc2c(=O)[n-]cnc2C1 ZINC000273215350 496743378 /nfs/dbraw/zinc/74/33/78/496743378.db2.gz KIAMKGAJDJDPOF-UHFFFAOYSA-N -1 3 363.870 3.293 20 0 FGADHM Cc1ccc([C@@H](CNC(=O)c2cc(=O)c3ccccc3[n-]2)N2CCCC2)o1 ZINC000263853692 496744545 /nfs/dbraw/zinc/74/45/45/496744545.db2.gz ZIJXITJEGSQEPK-GOSISDBHSA-N -1 3 365.433 3.409 20 0 FGADHM O=C(N=c1cc2ccccn2[n-]1)NCCn1ccc2cc(Cl)ccc21 ZINC000569154349 505864192 /nfs/dbraw/zinc/86/41/92/505864192.db2.gz GBODDFBAGJUJJV-UHFFFAOYSA-N -1 3 353.813 3.186 20 0 FGADHM Cc1cc2occ(CC(=O)N3CCc4c(=O)[n-]cnc4C3)c2cc1C(C)C ZINC000273294461 496765740 /nfs/dbraw/zinc/76/57/40/496765740.db2.gz VEPFQLPXFVQAEW-UHFFFAOYSA-N -1 3 365.433 3.488 20 0 FGADHM COc1cccc(C(=O)N2CCC(OCCc3ccccc3)CC2)c1[O-] ZINC000194942951 496768979 /nfs/dbraw/zinc/76/89/79/496768979.db2.gz ZTCGBRPQWARCCV-UHFFFAOYSA-N -1 3 355.434 3.265 20 0 FGADHM Cc1cccc(C[C@@H](CO)[N-]S(=O)(=O)c2c(Cl)cccc2Cl)c1 ZINC000188385203 496772090 /nfs/dbraw/zinc/77/20/90/496772090.db2.gz QCCUWAIVZPTGPH-ZDUSSCGKSA-N -1 3 374.289 3.184 20 0 FGADHM CCn1nc(CN[C@@H](Cc2cc(C)cc(C)c2)C(=O)[O-])c2ccccc21 ZINC000277438000 496773156 /nfs/dbraw/zinc/77/31/56/496773156.db2.gz UITFAJOTISEGBO-SFHVURJKSA-N -1 3 351.450 3.459 20 0 FGADHM O=c1[n-]c(CN2CC[C@H](n3cc(Cl)cn3)C2)nc2c3ccccc3oc21 ZINC000569157752 505865249 /nfs/dbraw/zinc/86/52/49/505865249.db2.gz FVPSRZLBYDNICL-LBPRGKRZSA-N -1 3 369.812 3.379 20 0 FGADHM CC(=O)c1ccc(NC([O-])=NOC[C@H](C)NC(=O)OC(C)(C)C)cc1C ZINC000273406015 496797026 /nfs/dbraw/zinc/79/70/26/496797026.db2.gz HESFSFZWDHXADL-LBPRGKRZSA-N -1 3 365.430 3.164 20 0 FGADHM CC(=O)c1ccc(NC(=O)[N-]OC[C@H](C)NC(=O)OC(C)(C)C)cc1C ZINC000273406015 496797031 /nfs/dbraw/zinc/79/70/31/496797031.db2.gz HESFSFZWDHXADL-LBPRGKRZSA-N -1 3 365.430 3.164 20 0 FGADHM CN(C(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1)C1CCC(CO)CC1 ZINC000188460637 496797203 /nfs/dbraw/zinc/79/72/03/496797203.db2.gz XMROGMLNYHEUIQ-UHFFFAOYSA-N -1 3 367.445 3.246 20 0 FGADHM CCOc1cccc(NC([O-])=NOC[C@@H](C)NC(=O)OC(C)(C)C)c1 ZINC000273460836 496813001 /nfs/dbraw/zinc/81/30/01/496813001.db2.gz FWABSDYRUKUFGS-GFCCVEGCSA-N -1 3 353.419 3.052 20 0 FGADHM CCOc1cccc(NC(=O)[N-]OC[C@@H](C)NC(=O)OC(C)(C)C)c1 ZINC000273460836 496813007 /nfs/dbraw/zinc/81/30/07/496813007.db2.gz FWABSDYRUKUFGS-GFCCVEGCSA-N -1 3 353.419 3.052 20 0 FGADHM COc1ccc(C(=O)NC[C@H]2CCCN(C)[C@@H]2c2cccs2)c([O-])c1 ZINC000247298983 496827788 /nfs/dbraw/zinc/82/77/88/496827788.db2.gz GVTCXGAXWKHQRW-ACJLOTCBSA-N -1 3 360.479 3.275 20 0 FGADHM O=C(c1cccc2[n-]nnc21)N1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000188557053 496830729 /nfs/dbraw/zinc/83/07/29/496830729.db2.gz CLMOIIYQUPVREC-LBPRGKRZSA-N -1 3 367.478 3.313 20 0 FGADHM O=C(c1cccc2nn[n-]c21)N1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000188557053 496830735 /nfs/dbraw/zinc/83/07/35/496830735.db2.gz CLMOIIYQUPVREC-LBPRGKRZSA-N -1 3 367.478 3.313 20 0 FGADHM O=C(c1cccc2n[n-]nc21)N1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000188557053 496830737 /nfs/dbraw/zinc/83/07/37/496830737.db2.gz CLMOIIYQUPVREC-LBPRGKRZSA-N -1 3 367.478 3.313 20 0 FGADHM Cc1nc(C)c(S(=O)(=O)[N-][C@@H]2CCO[C@H](c3ccc(F)cc3)C2)s1 ZINC000273538006 496833496 /nfs/dbraw/zinc/83/34/96/496833496.db2.gz SLXLFSKBWOOSFL-CABCVRRESA-N -1 3 370.471 3.098 20 0 FGADHM CC(C)c1c(C(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)cnn1-c1ccccc1 ZINC000580926965 505869987 /nfs/dbraw/zinc/86/99/87/505869987.db2.gz NKLYVACXLRXQIZ-QGZVFWFLSA-N -1 3 365.437 3.245 20 0 FGADHM COCCC1(c2nc(Cc3nc(=O)c4c(C5CC5)csc4[n-]3)no2)CC1 ZINC000273701677 496879443 /nfs/dbraw/zinc/87/94/43/496879443.db2.gz GODPCAUYKKRNLQ-UHFFFAOYSA-N -1 3 372.450 3.316 20 0 FGADHM COc1ccc(CNC[C@@H](O)c2ccc(F)cc2)c(Br)c1[O-] ZINC000277771557 496881343 /nfs/dbraw/zinc/88/13/43/496881343.db2.gz TZEMYWQQLBXUGT-CYBMUJFWSA-N -1 3 370.218 3.126 20 0 FGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]C[C@H]3CCC(C)(C)O3)s2)cs1 ZINC000188749862 496896257 /nfs/dbraw/zinc/89/62/57/496896257.db2.gz OWUMYYIWAUPOOD-LLVKDONJSA-N -1 3 372.537 3.416 20 0 FGADHM C[C@@H]1COCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000277839596 496905446 /nfs/dbraw/zinc/90/54/46/496905446.db2.gz LUVOAJGTRWBCEF-KCJUWKMLSA-N -1 3 357.781 3.062 20 0 FGADHM C[C@H]1COCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000277839597 496905718 /nfs/dbraw/zinc/90/57/18/496905718.db2.gz LUVOAJGTRWBCEF-KWQFWETISA-N -1 3 357.781 3.062 20 0 FGADHM CCOC[C@H]1CCCN(Cc2ccc(OC)c([O-])c2Br)C1 ZINC000273789841 496908931 /nfs/dbraw/zinc/90/89/31/496908931.db2.gz VAVUDZBLOWOSLV-LBPRGKRZSA-N -1 3 358.276 3.412 20 0 FGADHM CCc1ccc(C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)c([O-])c1 ZINC000188787104 496909207 /nfs/dbraw/zinc/90/92/07/496909207.db2.gz UAZQBUZDUKMEPV-UHFFFAOYSA-N -1 3 365.433 3.075 20 0 FGADHM CC(C)(C)c1ccc([O-])c(NC(=O)c2cc(N3CCOCC3)ccn2)c1 ZINC000191867404 496914420 /nfs/dbraw/zinc/91/44/20/496914420.db2.gz AHQPFLGRELJXNZ-UHFFFAOYSA-N -1 3 355.438 3.174 20 0 FGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]c1c(F)cccc1F ZINC000195438682 496922244 /nfs/dbraw/zinc/92/22/44/496922244.db2.gz KLSBKXKATYJFJN-UHFFFAOYSA-N -1 3 361.753 3.206 20 0 FGADHM COc1ccc(CN[C@]2(C)CCO[C@@H]2C2CC2)c(Br)c1[O-] ZINC000273829675 496922707 /nfs/dbraw/zinc/92/27/07/496922707.db2.gz PQAVLYWAFLDCOU-HZPDHXFCSA-N -1 3 356.260 3.211 20 0 FGADHM FC(F)(F)c1[n-]c(=NCCCCn2ccnc2)sc1Br ZINC000580942112 505873923 /nfs/dbraw/zinc/87/39/23/505873923.db2.gz JUVHIXPPFURJLK-UHFFFAOYSA-N -1 3 369.210 3.435 20 0 FGADHM CC[C@H](NC(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1)[C@@H]1CCCO1 ZINC000188914917 496945982 /nfs/dbraw/zinc/94/59/82/496945982.db2.gz JZIVEPVBFCLYJX-OALUTQOASA-N -1 3 353.418 3.311 20 0 FGADHM CCCCc1nc(C(=O)OCC)c(NC(=O)c2cccc(OC)c2F)[n-]1 ZINC000191965257 496946809 /nfs/dbraw/zinc/94/68/09/496946809.db2.gz BGMONFFOMKKYLW-UHFFFAOYSA-N -1 3 363.389 3.329 20 0 FGADHM CCCCc1nc(NC(=O)c2cccc(OC)c2F)c(C(=O)OCC)[n-]1 ZINC000191965257 496946812 /nfs/dbraw/zinc/94/68/12/496946812.db2.gz BGMONFFOMKKYLW-UHFFFAOYSA-N -1 3 363.389 3.329 20 0 FGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@H]3CCC[C@H]3CCO)s2)cs1 ZINC000188919390 496947984 /nfs/dbraw/zinc/94/79/84/496947984.db2.gz RGBXBUBRKYAHIU-RYUDHWBXSA-N -1 3 372.537 3.009 20 0 FGADHM COc1cc(C(=O)NC(C)(C)CCC(=O)OC(C)(C)C)cc(OC)c1[O-] ZINC000273896904 496949118 /nfs/dbraw/zinc/94/91/18/496949118.db2.gz WOCNOWQIFQNKES-UHFFFAOYSA-N -1 3 367.442 3.040 20 0 FGADHM O=S(=O)(C[C@H]1CCCCO1)[N-]c1ccc(Sc2nncs2)cc1 ZINC000264649964 496954031 /nfs/dbraw/zinc/95/40/31/496954031.db2.gz OSNNFMDAJRUUBT-GFCCVEGCSA-N -1 3 371.509 3.000 20 0 FGADHM C[C@H](NC(=O)c1ccc(O)cc1[O-])[C@H](OC1CCOCC1)c1ccccc1 ZINC000269518037 496963176 /nfs/dbraw/zinc/96/31/76/496963176.db2.gz KXLYRSOTAMBNAZ-XOBRGWDASA-N -1 3 371.433 3.153 20 0 FGADHM O=C(NCc1ccnc(N2CCCC2)c1)c1cc([O-])ccc1C(F)(F)F ZINC000188970604 496963517 /nfs/dbraw/zinc/96/35/17/496963517.db2.gz BSTGLUFBXPPBDM-UHFFFAOYSA-N -1 3 365.355 3.336 20 0 FGADHM CCc1ccc(C(=O)N2CCC[C@H](c3nnc4ccccn43)C2)c([O-])c1 ZINC000188979447 496967674 /nfs/dbraw/zinc/96/76/74/496967674.db2.gz FTXAZANZNLJHCQ-HNNXBMFYSA-N -1 3 350.422 3.017 20 0 FGADHM C[C@@H](NC(=O)c1cc([O-])ccc1C(F)(F)F)C(=O)Nc1ccccc1 ZINC000188993519 496971975 /nfs/dbraw/zinc/97/19/75/496971975.db2.gz CHDBFPAXYRPRGO-SNVBAGLBSA-N -1 3 352.312 3.168 20 0 FGADHM Cc1c(COc2ccccc2)cccc1NC(=O)C(=O)[N-]c1cnns1 ZINC000192094518 496993317 /nfs/dbraw/zinc/99/33/17/496993317.db2.gz KKNQCDGOYJHFEO-UHFFFAOYSA-N -1 3 368.418 3.003 20 0 FGADHM O=C(c1ccc(F)cc1[O-])N1CCC(N2CCc3ccccc3C2)CC1 ZINC000269724369 496994908 /nfs/dbraw/zinc/99/49/08/496994908.db2.gz TUYOGXSBDIPGPW-UHFFFAOYSA-N -1 3 354.425 3.194 20 0 FGADHM COc1cc(C(=O)N2C[C@H](c3ccccc3C)OC[C@@H]2C)cc(OC)c1[O-] ZINC000269902182 497021027 /nfs/dbraw/zinc/02/10/27/497021027.db2.gz DTOYAHHJDPQFCT-IFXJQAMLSA-N -1 3 371.433 3.320 20 0 FGADHM COc1ccccc1C[C@@H]1CCCN1C(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000269943177 497029114 /nfs/dbraw/zinc/02/91/14/497029114.db2.gz NZNPWBQAHJZASS-INIZCTEOSA-N -1 3 371.433 3.265 20 0 FGADHM CC(C)CNC(=O)c1ccc(NC([O-])=NO[C@@H]2CCCCO2)cc1Cl ZINC000274194474 497037225 /nfs/dbraw/zinc/03/72/25/497037225.db2.gz MHOHQRXGCDSQND-OAHLLOKOSA-N -1 3 369.849 3.306 20 0 FGADHM CC(C)CNC(=O)c1ccc(NC(=O)[N-]O[C@@H]2CCCCO2)cc1Cl ZINC000274194474 497037230 /nfs/dbraw/zinc/03/72/30/497037230.db2.gz MHOHQRXGCDSQND-OAHLLOKOSA-N -1 3 369.849 3.306 20 0 FGADHM O=S(=O)(Cc1ccc(F)c(Cl)c1)[N-]c1nc(C(F)(F)F)c[nH]1 ZINC000578183795 505880793 /nfs/dbraw/zinc/88/07/93/505880793.db2.gz LKXARSIBXSDLBM-UHFFFAOYSA-N -1 3 357.716 3.163 20 0 FGADHM CCCc1c(NC(=O)c2cccc3nn[n-]c32)cnn1-c1ccc(F)cc1 ZINC000192233954 497043266 /nfs/dbraw/zinc/04/32/66/497043266.db2.gz PCGSLTWSXQBQTE-UHFFFAOYSA-N -1 3 364.384 3.488 20 0 FGADHM CCCc1c(NC(=O)c2cccc3[n-]nnc32)cnn1-c1ccc(F)cc1 ZINC000192233954 497043268 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/nfs/dbraw/zinc/48/43/08/498484308.db2.gz AHYWVTHLIQZDBP-CYBMUJFWSA-N -1 3 368.399 3.096 20 0 FGADHM Cc1ccc(SCC(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)cc1 ZINC000290293343 498498176 /nfs/dbraw/zinc/49/81/76/498498176.db2.gz FKDKEDPNZMVOCD-CYBMUJFWSA-N -1 3 374.428 3.004 20 0 FGADHM COc1ccc(CN(C)CCCn2ccnc2C)c(Br)c1[O-] ZINC000290302634 498502320 /nfs/dbraw/zinc/50/23/20/498502320.db2.gz BLCWKXPUDYVOEG-UHFFFAOYSA-N -1 3 368.275 3.190 20 0 FGADHM CCOc1cc(CN[C@H](C)c2nnc(CC)[nH]2)cc(Br)c1[O-] ZINC000297596569 498505997 /nfs/dbraw/zinc/50/59/97/498505997.db2.gz JQYHKTIPRPNMKB-SECBINFHSA-N -1 3 369.263 3.085 20 0 FGADHM CSc1ccc(C(=O)NC2CCN(C(=O)c3ccccc3)CC2)c([O-])c1 ZINC000365538411 498520248 /nfs/dbraw/zinc/52/02/48/498520248.db2.gz YLLYPYXLUVBDKS-UHFFFAOYSA-N -1 3 370.474 3.149 20 0 FGADHM Cc1ccc(NC(=O)OC(C)(C)C)cc1NC([O-])=NOC(C)(C)CO ZINC000297661234 498527964 /nfs/dbraw/zinc/52/79/64/498527964.db2.gz FHFKDLHWJZUWNP-UHFFFAOYSA-N -1 3 353.419 3.166 20 0 FGADHM Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)[N-]OC(C)(C)CO ZINC000297661234 498527972 /nfs/dbraw/zinc/52/79/72/498527972.db2.gz FHFKDLHWJZUWNP-UHFFFAOYSA-N -1 3 353.419 3.166 20 0 FGADHM Cc1cc(CNC(=O)c2cc([O-])c3ccccc3c2)nc(N2CCCC2)n1 ZINC000293910629 498530690 /nfs/dbraw/zinc/53/06/90/498530690.db2.gz HXPVGFSCHWCJMA-UHFFFAOYSA-N -1 3 362.433 3.174 20 0 FGADHM CCOc1cc(C(=O)[N-]c2ccccc2S(=O)(=O)C2CCCC2)on1 ZINC000297669078 498531123 /nfs/dbraw/zinc/53/11/23/498531123.db2.gz GFCBWEDBCFWDFS-UHFFFAOYSA-N -1 3 364.423 3.042 20 0 FGADHM C[C@@H](CC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1)c1cccc(F)c1 ZINC000290391645 498534733 /nfs/dbraw/zinc/53/47/33/498534733.db2.gz OYSXEKBTTLHBHH-STQMWFEESA-N -1 3 374.378 3.236 20 0 FGADHM O=C(C[C@H]1CCCN1C(=O)c1cc(F)cc2[n-]nnc21)c1ccc(F)cc1 ZINC000282508964 498539264 /nfs/dbraw/zinc/53/92/64/498539264.db2.gz OOYGDIXWLRTMMC-CQSZACIVSA-N -1 3 370.359 3.114 20 0 FGADHM O=C(C[C@H]1CCCN1C(=O)c1cc(F)cc2nn[n-]c21)c1ccc(F)cc1 ZINC000282508964 498539272 /nfs/dbraw/zinc/53/92/72/498539272.db2.gz OOYGDIXWLRTMMC-CQSZACIVSA-N -1 3 370.359 3.114 20 0 FGADHM O=C(C[C@H]1CCCN1C(=O)c1cc(F)cc2n[n-]nc21)c1ccc(F)cc1 ZINC000282508964 498539276 /nfs/dbraw/zinc/53/92/76/498539276.db2.gz OOYGDIXWLRTMMC-CQSZACIVSA-N -1 3 370.359 3.114 20 0 FGADHM O=C(C[C@@H]1CCCN1C(=O)c1cc(F)cc2[n-]nnc21)c1ccc(F)cc1 ZINC000282508960 498539371 /nfs/dbraw/zinc/53/93/71/498539371.db2.gz OOYGDIXWLRTMMC-AWEZNQCLSA-N -1 3 370.359 3.114 20 0 FGADHM O=C(C[C@@H]1CCCN1C(=O)c1cc(F)cc2nn[n-]c21)c1ccc(F)cc1 ZINC000282508960 498539376 /nfs/dbraw/zinc/53/93/76/498539376.db2.gz OOYGDIXWLRTMMC-AWEZNQCLSA-N -1 3 370.359 3.114 20 0 FGADHM O=C(C[C@@H]1CCCN1C(=O)c1cc(F)cc2n[n-]nc21)c1ccc(F)cc1 ZINC000282508960 498539384 /nfs/dbraw/zinc/53/93/84/498539384.db2.gz OOYGDIXWLRTMMC-AWEZNQCLSA-N -1 3 370.359 3.114 20 0 FGADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N(C)CCF)c2)cc1 ZINC000293948598 498542551 /nfs/dbraw/zinc/54/25/51/498542551.db2.gz RQHVBNJGNATJIX-UHFFFAOYSA-N -1 3 364.442 3.146 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H](CO)Cc3ccc(C)cc3)nc2)n1 ZINC000302726989 498548147 /nfs/dbraw/zinc/54/81/47/498548147.db2.gz SMLFEBPBKBTDFV-SFHVURJKSA-N -1 3 364.449 3.131 20 0 FGADHM COCCCO[N-]C(=O)Nc1cc(C(=O)Nc2ccccc2)ccc1C ZINC000286911109 498550905 /nfs/dbraw/zinc/55/09/05/498550905.db2.gz GOCBBMDIAVEFHD-UHFFFAOYSA-N -1 3 357.410 3.337 20 0 FGADHM CC(C)c1ccc(C(=O)N2CCN([C@@H](C)c3cccnc3)CC2)c([O-])c1 ZINC000332122199 498569266 /nfs/dbraw/zinc/56/92/66/498569266.db2.gz LQDOYYNFEAUNSV-INIZCTEOSA-N -1 3 353.466 3.430 20 0 FGADHM OC1CCN(Cc2ccccc2CN=c2nc(C3CCCC3)[n-]s2)CC1 ZINC000569955066 506055882 /nfs/dbraw/zinc/05/58/82/506055882.db2.gz HKNCUZMICXMZLG-UHFFFAOYSA-N -1 3 372.538 3.186 20 0 FGADHM O=C1CCCCN1C1CCN(Cc2cc([O-])cc(C(F)(F)F)c2)CC1 ZINC000290500919 498575857 /nfs/dbraw/zinc/57/58/57/498575857.db2.gz SLFPXYFPHLKDFU-UHFFFAOYSA-N -1 3 356.388 3.388 20 0 FGADHM C[C@H](NC(=O)c1c[n-]c2ccccc2c1=O)[C@@H]1OCCc2sccc21 ZINC000294062638 498577790 /nfs/dbraw/zinc/57/77/90/498577790.db2.gz HAVFLNADXZGHBZ-VOJFVSQTSA-N -1 3 354.431 3.434 20 0 FGADHM CC(C)(C)c1cc(CS(=O)(=O)[N-]c2ccc3c(c2)OC(C)(C)O3)no1 ZINC000332143625 498578473 /nfs/dbraw/zinc/57/84/73/498578473.db2.gz LRXYQJOCILONHK-UHFFFAOYSA-N -1 3 366.439 3.421 20 0 FGADHM Cc1ccc([O-])c(C(=O)N2CCC[C@H](c3nc(C(F)(F)F)cn3C)C2)c1 ZINC000332301560 498641551 /nfs/dbraw/zinc/64/15/51/498641551.db2.gz HWNYWCYDJMIAPP-LBPRGKRZSA-N -1 3 367.371 3.473 20 0 FGADHM CC(=O)c1ccc(C(=O)N2CCC[C@H](c3noc(C(C)C)n3)C2)cc1[O-] ZINC000332304934 498642650 /nfs/dbraw/zinc/64/26/50/498642650.db2.gz LECCFYHZZQPOQR-AWEZNQCLSA-N -1 3 357.410 3.121 20 0 FGADHM C[C@@H]1CN(C(=O)c2ccc([N-]S(C)(=O)=O)cc2)CC[C@H]1c1ccccc1 ZINC000332355018 498660711 /nfs/dbraw/zinc/66/07/11/498660711.db2.gz HZOYJBMRBUKHMT-DNVCBOLYSA-N -1 3 372.490 3.324 20 0 FGADHM CCOc1cc(CN[C@]2(CO)CCOc3ccccc32)cc(Cl)c1[O-] ZINC000298126602 498672210 /nfs/dbraw/zinc/67/22/10/498672210.db2.gz PSICXBKHUKHEHZ-IBGZPJMESA-N -1 3 363.841 3.204 20 0 FGADHM CCc1cc(C(=O)N2CCC(O)(Cc3cccc(F)c3)CC2)ccc1[O-] ZINC000365864995 498678021 /nfs/dbraw/zinc/67/80/21/498678021.db2.gz FQGVGBLOEPJIDX-UHFFFAOYSA-N -1 3 357.425 3.304 20 0 FGADHM C[C@H]1CCc2ccccc2[C@@H]1NC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000332404558 498678818 /nfs/dbraw/zinc/67/88/18/498678818.db2.gz ZGLOREWIYAXKCU-SCLBCKFNSA-N -1 3 358.463 3.112 20 0 FGADHM O=C([O-])[C@H](c1cccc(Br)c1)N1CC[C@H](COC(F)F)C1 ZINC000579025424 506077021 /nfs/dbraw/zinc/07/70/21/506077021.db2.gz CJKDFKLXRBYYLK-CABZTGNLSA-N -1 3 364.186 3.136 20 0 FGADHM Cc1ccc2ncc(C(=O)[O-])c(N3CC[C@H](c4nc(C5CC5)no4)C3)c2c1 ZINC000576111059 506079790 /nfs/dbraw/zinc/07/97/90/506079790.db2.gz JEPYBRJVPIVIGU-ZDUSSCGKSA-N -1 3 364.405 3.496 20 0 FGADHM C[C@@H](C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)c1cccc(Cl)c1 ZINC000332563249 498727089 /nfs/dbraw/zinc/72/70/89/498727089.db2.gz XSYPBPMKFJVONR-CQSZACIVSA-N -1 3 372.852 3.134 20 0 FGADHM NC(=O)c1ccc(NC(=O)c2cc([O-])ccc2Cl)cc1N1CCCCC1 ZINC000294604722 498745097 /nfs/dbraw/zinc/74/50/97/498745097.db2.gz DLNIHNRZOPRVIX-UHFFFAOYSA-N -1 3 373.840 3.387 20 0 FGADHM O=C(Nc1nnc(-c2c(F)cccc2F)[n-]1)C1C[C@H]2CCC[C@@H](C1)C2=O ZINC000363309027 498754910 /nfs/dbraw/zinc/75/49/10/498754910.db2.gz MHKNSKLXYOUQSE-ZACCUICWSA-N -1 3 360.364 3.084 20 0 FGADHM O=C(Nc1nc(-c2c(F)cccc2F)n[n-]1)C1C[C@H]2CCC[C@@H](C1)C2=O ZINC000363309027 498754914 /nfs/dbraw/zinc/75/49/14/498754914.db2.gz MHKNSKLXYOUQSE-ZACCUICWSA-N -1 3 360.364 3.084 20 0 FGADHM O=C(Nc1n[n-]c(-c2c(F)cccc2F)n1)C1C[C@H]2CCC[C@@H](C1)C2=O ZINC000363309027 498754919 /nfs/dbraw/zinc/75/49/19/498754919.db2.gz MHKNSKLXYOUQSE-ZACCUICWSA-N -1 3 360.364 3.084 20 0 FGADHM CCOc1cc(C(=O)[N-]c2ccc(C(=O)N(CC)CC)c(Cl)c2)on1 ZINC000294653921 498763000 /nfs/dbraw/zinc/76/30/00/498763000.db2.gz YQJNRJMJAWAJAX-UHFFFAOYSA-N -1 3 365.817 3.461 20 0 FGADHM CN(C(=O)c1ccc2n[n-]nc2c1)[C@@H](c1ccc(F)cc1)c1cccnc1 ZINC000363335265 498766916 /nfs/dbraw/zinc/76/69/16/498766916.db2.gz NLQWYIUNVADEPM-IBGZPJMESA-N -1 3 361.380 3.354 20 0 FGADHM Cc1cccc(S(=O)(=O)[N-]Cc2ccsc2Br)c1F ZINC000313237196 498768272 /nfs/dbraw/zinc/76/82/72/498768272.db2.gz MIASSVVTSMMLSJ-UHFFFAOYSA-N -1 3 364.261 3.437 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC[C@H]3c3cn(C)nc3C)nc2)n1 ZINC000366091087 498770522 /nfs/dbraw/zinc/77/05/22/498770522.db2.gz FJYUIMXZPSJZOK-KRWDZBQOSA-N -1 3 364.453 3.190 20 0 FGADHM CCN(Cc1nc(=O)c2sc(-c3ccc(OC)cc3)cc2[n-]1)[C@H](C)CO ZINC000298465228 498779656 /nfs/dbraw/zinc/77/96/56/498779656.db2.gz RYZOATLEQWESLC-GFCCVEGCSA-N -1 3 373.478 3.275 20 0 FGADHM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1nc(Cc2cccc(F)c2)no1 ZINC000570100340 506090847 /nfs/dbraw/zinc/09/08/47/506090847.db2.gz MKLLEGUHQVELRG-IMJJTQAJSA-N -1 3 359.401 3.017 20 0 FGADHM Cc1cc(C)c2[n-]cc(C(=O)N3CC(C)(C)[C@@H]3[C@@H]3CCCO3)c(=O)c2c1 ZINC000332847847 498813067 /nfs/dbraw/zinc/81/30/67/498813067.db2.gz ITEFIIUXDOBZRY-LPHOPBHVSA-N -1 3 354.450 3.175 20 0 FGADHM CCc1nc(C)c(CNC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)o1 ZINC000576174366 506094185 /nfs/dbraw/zinc/09/41/85/506094185.db2.gz IYIYVNFTYVOJFN-UHFFFAOYSA-N -1 3 367.409 3.338 20 0 FGADHM CC(C)c1cccc(O[C@@H](C)C(=O)[N-]c2nncn2-c2cccnc2)c1 ZINC000570120156 506094786 /nfs/dbraw/zinc/09/47/86/506094786.db2.gz NYZWDWFOAUUUIN-AWEZNQCLSA-N -1 3 351.410 3.192 20 0 FGADHM CC(C)(C)OC(=O)[C@H]([N-]S(=O)(=O)C1CCCCC1)c1ccccc1 ZINC000325486418 498837667 /nfs/dbraw/zinc/83/76/67/498837667.db2.gz JIOACMIVFCGAGC-MRXNPFEDSA-N -1 3 353.484 3.322 20 0 FGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]Cc1ccc(C(C)C)cc1 ZINC000325923210 498839822 /nfs/dbraw/zinc/83/98/22/498839822.db2.gz RFFIAWAUTSEBMO-UHFFFAOYSA-N -1 3 367.492 3.445 20 0 FGADHM C[C@H](NC(=O)c1cc(=O)[n-]c(C2CC2)n1)c1ccc(Br)cc1 ZINC000579123931 506099688 /nfs/dbraw/zinc/09/96/88/506099688.db2.gz ADXOXFLXFRRMHV-VIFPVBQESA-N -1 3 362.227 3.313 20 0 FGADHM CCn1c(SCc2cc(=O)[n-]c(C3CC3)n2)nnc1-c1ccncc1 ZINC000576207727 506102114 /nfs/dbraw/zinc/10/21/14/506102114.db2.gz ITANKPAGYKKQFS-UHFFFAOYSA-N -1 3 354.439 3.025 20 0 FGADHM O=C(Cc1cc[nH]c(=O)c1Br)Nc1cc(Cl)ccc1[O-] ZINC000581982740 506104969 /nfs/dbraw/zinc/10/49/69/506104969.db2.gz GFXRTOKTZHRFHS-UHFFFAOYSA-N -1 3 357.591 3.090 20 0 FGADHM O=C(Nc1ccc2[n-]c(=S)oc2c1)c1cnn(CCN2CCCCC2)c1 ZINC000366337879 498879661 /nfs/dbraw/zinc/87/96/61/498879661.db2.gz LKQCGODFINMLDD-UHFFFAOYSA-N -1 3 371.466 3.051 20 0 FGADHM O=c1[nH]cccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1Cl ZINC000573055675 506106076 /nfs/dbraw/zinc/10/60/76/506106076.db2.gz DMFVIDHOUVQZPB-UHFFFAOYSA-N -1 3 352.721 3.260 20 0 FGADHM COCCC1(C)CN(C(=O)c2cc(OCc3ccccc3)ccc2[O-])C1 ZINC000291306392 498887035 /nfs/dbraw/zinc/88/70/35/498887035.db2.gz SSFFCOYNVAGOJN-UHFFFAOYSA-N -1 3 355.434 3.470 20 0 FGADHM O=C(NC1CCCCC1)c1ccc(NC(=O)[C@@H]2CCCN2C2CC2)cc1[O-] ZINC000333101515 498900253 /nfs/dbraw/zinc/90/02/53/498900253.db2.gz VJBQNRDYRIOVAG-SFHVURJKSA-N -1 3 371.481 3.020 20 0 FGADHM CN(CC(=O)N1CCC[C@@H]2CCCC[C@H]21)Cc1nc2ccsc2c(=O)[n-]1 ZINC000333105449 498900895 /nfs/dbraw/zinc/90/08/95/498900895.db2.gz FNZAEZNCNODKFX-DZGCQCFKSA-N -1 3 374.510 3.010 20 0 FGADHM CC(C)(C)C(=O)N1CCCN(C(=O)c2cc([O-])c3ccccc3c2)CC1 ZINC000366380744 498902162 /nfs/dbraw/zinc/90/21/62/498902162.db2.gz GWGKYMRNAMGZQT-UHFFFAOYSA-N -1 3 354.450 3.266 20 0 FGADHM C[C@H](Cc1ccc(Br)cc1)C(=O)N=c1cc2ccccn2[n-]1 ZINC000581994325 506108949 /nfs/dbraw/zinc/10/89/49/506108949.db2.gz OWDBIUUZXBRDFR-GFCCVEGCSA-N -1 3 358.239 3.336 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)[C@@H]1C[C@@H]2CC[C@H]1C2)c1nc(C2CCCCC2)no1 ZINC000333114483 498904160 /nfs/dbraw/zinc/90/41/60/498904160.db2.gz FOHSTUNRYIJCMD-RJZRQDKASA-N -1 3 353.488 3.286 20 0 FGADHM COc1ccc(CN2CC[C@@H](OC)C(C)(C)C2)c(Br)c1[O-] ZINC000295119623 498915411 /nfs/dbraw/zinc/91/54/11/498915411.db2.gz XEUDLDHCHKZQGM-CYBMUJFWSA-N -1 3 358.276 3.410 20 0 FGADHM CC[C@@H]1CN(c2c(C(=O)[O-])cnc3c(C)cc(C)cc32)C[C@]2(CCOC2)O1 ZINC000582005629 506110978 /nfs/dbraw/zinc/11/09/78/506110978.db2.gz CZAGZKJIBDORPN-VFNWGFHPSA-N -1 3 370.449 3.324 20 0 FGADHM CCCCc1nc(C(=O)OCC)c(NC(=O)[C@H]2C[C@@H](C(C)=O)C2(C)C)[n-]1 ZINC000579185021 506111894 /nfs/dbraw/zinc/11/18/94/506111894.db2.gz YNQTUAIXMCBIFR-QWHCGFSZSA-N -1 3 363.458 3.119 20 0 FGADHM CCCCc1nc(NC(=O)[C@H]2C[C@@H](C(C)=O)C2(C)C)c(C(=O)OCC)[n-]1 ZINC000579185021 506111898 /nfs/dbraw/zinc/11/18/98/506111898.db2.gz YNQTUAIXMCBIFR-QWHCGFSZSA-N -1 3 363.458 3.119 20 0 FGADHM CS(=O)(=O)[N-]c1cc(C(=O)N2CCC3(CCCCC3)CC2)ccc1F ZINC000363649883 498924554 /nfs/dbraw/zinc/92/45/54/498924554.db2.gz BCCGZPCUZFVAHM-UHFFFAOYSA-N -1 3 368.474 3.384 20 0 FGADHM CCOc1cc(CN2CCNC(=O)[C@@H]2c2cccc(C)c2)cc(Cl)c1[O-] ZINC000582013180 506112969 /nfs/dbraw/zinc/11/29/69/506112969.db2.gz CTSAVEFSWVNLCF-SFHVURJKSA-N -1 3 374.868 3.426 20 0 FGADHM C[C@@H]1CCCc2nc(S(=O)(=O)[N-][C@@H]3CCSc4ccccc43)cn21 ZINC000333192581 498930575 /nfs/dbraw/zinc/93/05/75/498930575.db2.gz SMHGSWUPXBDTAY-TZMCWYRMSA-N -1 3 363.508 3.296 20 0 FGADHM CO[C@@H](CS(=O)(=O)[N-]c1ccc([C@H]2CCOC2)cc1)c1ccccc1 ZINC000295200276 498940665 /nfs/dbraw/zinc/94/06/65/498940665.db2.gz NBIISSIBOLCCCL-HKUYNNGSSA-N -1 3 361.463 3.320 20 0 FGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2nnc(C(C)C)[nH]2)c1Cl ZINC000295204998 498942585 /nfs/dbraw/zinc/94/25/85/498942585.db2.gz FRPRMJZSNNWRHG-UHFFFAOYSA-N -1 3 363.270 3.022 20 0 FGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2n[nH]c(C(C)C)n2)c1Cl ZINC000295204998 498942588 /nfs/dbraw/zinc/94/25/88/498942588.db2.gz FRPRMJZSNNWRHG-UHFFFAOYSA-N -1 3 363.270 3.022 20 0 FGADHM Cc1nc(C2([N-]S(=O)(=O)Cc3cccc(Cl)c3)CCCCC2)no1 ZINC000283665732 498950720 /nfs/dbraw/zinc/95/07/20/498950720.db2.gz ZOJTXISSKSUICS-UHFFFAOYSA-N -1 3 369.874 3.310 20 0 FGADHM CCc1noc(C)c1C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC000573096752 506118139 /nfs/dbraw/zinc/11/81/39/506118139.db2.gz DXACQEZHMGTSRA-UHFFFAOYSA-N -1 3 366.336 3.182 20 0 FGADHM O=S(=O)([N-]c1ccc(OC2COC2)cc1)c1ccc(C(F)F)cc1 ZINC000288171727 498959966 /nfs/dbraw/zinc/95/99/66/498959966.db2.gz INKRCAAFGGWIIG-UHFFFAOYSA-N -1 3 355.362 3.203 20 0 FGADHM COC(=O)c1c(C)csc1[N-]C(=O)C(=O)N(C)C[C@@H](C)c1ccccc1 ZINC000288179559 498961260 /nfs/dbraw/zinc/96/12/60/498961260.db2.gz XCRWZWGEHKFKDI-GFCCVEGCSA-N -1 3 374.462 3.044 20 0 FGADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)COC3)cc1Cl ZINC000570235362 506120996 /nfs/dbraw/zinc/12/09/96/506120996.db2.gz WCZBPRPZHJSTBF-UHFFFAOYSA-N -1 3 353.827 3.488 20 0 FGADHM Cc1cccnc1C(C)(C)C[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000570246915 506122839 /nfs/dbraw/zinc/12/28/39/506122839.db2.gz CRLXGAJJXAGVQL-UHFFFAOYSA-N -1 3 356.850 3.439 20 0 FGADHM Cc1sc(-c2ccco2)nc1C(=O)[N-]c1n[nH]c(-c2ccncc2)n1 ZINC000366591704 498993461 /nfs/dbraw/zinc/99/34/61/498993461.db2.gz LHKHSXSYQVCZKC-UHFFFAOYSA-N -1 3 352.379 3.144 20 0 FGADHM C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)CN1C[C@H](C(=O)[O-])CC[C@H]1C ZINC000582062648 506124465 /nfs/dbraw/zinc/12/44/65/506124465.db2.gz SQWSNNTTZWSLKZ-VNHYZAJKSA-N -1 3 352.862 3.045 20 0 FGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000291593343 499004775 /nfs/dbraw/zinc/00/47/75/499004775.db2.gz DRQXYQABXTZXCZ-WMLDXEAASA-N -1 3 370.497 3.209 20 0 FGADHM CNC(=O)OC[C@H]1CCCCN1C(=O)CCc1ccc2ccccc2c1[O-] ZINC000295418620 499012040 /nfs/dbraw/zinc/01/20/40/499012040.db2.gz UXMITDUOXSWBMP-QGZVFWFLSA-N -1 3 370.449 3.215 20 0 FGADHM CC(C)(C)OC(=O)c1cccc(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000579240930 506127689 /nfs/dbraw/zinc/12/76/89/506127689.db2.gz BUDYSLGPDLFTOX-UHFFFAOYSA-N -1 3 355.394 3.267 20 0 FGADHM COCc1ncsc1C(=O)[N-]c1nc2c(s1)C(=O)CC(C)(C)C2 ZINC000283945856 499018780 /nfs/dbraw/zinc/01/87/80/499018780.db2.gz KFPJWTLHUYMZSX-UHFFFAOYSA-N -1 3 351.453 3.153 20 0 FGADHM O=S(=O)(C[C@@H]1CCCC1(F)F)[N-]C[C@@H](O)c1ccc2ccccc2c1 ZINC000295518414 499040068 /nfs/dbraw/zinc/04/00/68/499040068.db2.gz IGVSIRYSOIEJDM-DLBZAZTESA-N -1 3 369.433 3.228 20 0 FGADHM Cc1ccc(C[N-]S(=O)(=O)c2nc(C)c(Br)s2)s1 ZINC000329149389 499056274 /nfs/dbraw/zinc/05/62/74/499056274.db2.gz QNMCVKSLYFNMLM-UHFFFAOYSA-N -1 3 367.315 3.062 20 0 FGADHM CC(C)Cn1ncc(C(=O)Nc2nnc(-c3ccco3)[n-]2)c1C(F)F ZINC000299436240 499058182 /nfs/dbraw/zinc/05/81/82/499058182.db2.gz XZJNIMLBEXLTJG-UHFFFAOYSA-N -1 3 350.329 3.107 20 0 FGADHM CC(C)Cn1ncc(C(=O)Nc2nc(-c3ccco3)n[n-]2)c1C(F)F ZINC000299436240 499058187 /nfs/dbraw/zinc/05/81/87/499058187.db2.gz XZJNIMLBEXLTJG-UHFFFAOYSA-N -1 3 350.329 3.107 20 0 FGADHM CC(C)Cn1ncc(C(=O)Nc2n[n-]c(-c3ccco3)n2)c1C(F)F ZINC000299436240 499058191 /nfs/dbraw/zinc/05/81/91/499058191.db2.gz XZJNIMLBEXLTJG-UHFFFAOYSA-N -1 3 350.329 3.107 20 0 FGADHM O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@H]1[N-]C(=O)C[C@@H]1C(F)(F)F ZINC000366773692 499069116 /nfs/dbraw/zinc/06/91/16/499069116.db2.gz HZHCRTSLEXAYGT-XVKPBYJWSA-N -1 3 374.668 3.364 20 0 FGADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(CCc2cscn2)CC1 ZINC000295693835 499082826 /nfs/dbraw/zinc/08/28/26/499082826.db2.gz OXIIKJDXYGPUBV-UHFFFAOYSA-N -1 3 365.886 3.395 20 0 FGADHM CCOC[C@@H](C)CS(=O)(=O)[N-]C(c1cccs1)c1cccs1 ZINC000295705154 499085035 /nfs/dbraw/zinc/08/50/35/499085035.db2.gz UFRXZAQUTWPJQC-GFCCVEGCSA-N -1 3 359.538 3.491 20 0 FGADHM Cc1cc(=O)[n-]c([C@@H](C)N2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)n1 ZINC000333839318 499085750 /nfs/dbraw/zinc/08/57/50/499085750.db2.gz NDVHTQILOYPYEO-CHWSQXEVSA-N -1 3 359.392 3.233 20 0 FGADHM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C[C@@]2(C)CCO[C@H]2C2CC2)c1 ZINC000364127066 499120568 /nfs/dbraw/zinc/12/05/68/499120568.db2.gz NBHLLRQBOFFVSF-DLBZAZTESA-N -1 3 371.886 3.026 20 0 FGADHM COc1cc(C(=O)N2CC(Cc3ccc(F)cc3F)C2)cc(OC)c1[O-] ZINC000367021909 499135300 /nfs/dbraw/zinc/13/53/00/499135300.db2.gz RPJXVPZHKKSSMT-UHFFFAOYSA-N -1 3 363.360 3.002 20 0 FGADHM O=S(=O)([N-][C@@H](c1cccnc1)c1ccc(F)c(F)c1)c1ccco1 ZINC000372595867 499150947 /nfs/dbraw/zinc/15/09/47/499150947.db2.gz BEKKTVZALRJOQO-MRXNPFEDSA-N -1 3 350.346 3.021 20 0 FGADHM Cc1c([O-])ccc2c(CN[C@H]3c4ccccc4CC[C@H]3CO)cc(=O)oc12 ZINC000372828644 499181418 /nfs/dbraw/zinc/18/14/18/499181418.db2.gz CBDRBINUOQLQBX-YCRPNKLZSA-N -1 3 365.429 3.193 20 0 FGADHM O=C(c1cc([O-])c2ccccc2c1)N1CCC(OC[C@@H]2CCCO2)CC1 ZINC000370118300 499183462 /nfs/dbraw/zinc/18/34/62/499183462.db2.gz BFIWRMSGHNRFAD-SFHVURJKSA-N -1 3 355.434 3.346 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N3CCOc4c(F)cccc4C3)c[n-]c12 ZINC000370140085 499186927 /nfs/dbraw/zinc/18/69/27/499186927.db2.gz JHXIWUIGWZDNIS-UHFFFAOYSA-N -1 3 370.355 3.150 20 0 FGADHM CC1(C(=O)Nc2cccc([O-])c2F)CCN(C(=O)c2ccccc2)CC1 ZINC000370266761 499203928 /nfs/dbraw/zinc/20/39/28/499203928.db2.gz POAIZPCWQSZKAZ-UHFFFAOYSA-N -1 3 356.397 3.412 20 0 FGADHM O=C(c1c[n-]c2ccccc2c1=O)N1CC(Cc2ccc(F)cc2F)C1 ZINC000370300134 499207105 /nfs/dbraw/zinc/20/71/05/499207105.db2.gz NLCTXOXVHSEYGA-UHFFFAOYSA-N -1 3 354.356 3.121 20 0 FGADHM O=C(Nc1cccc([O-])c1F)[C@@H]1C[C@H]2CCCC[C@@H]2N1c1ncccn1 ZINC000370378833 499215004 /nfs/dbraw/zinc/21/50/04/499215004.db2.gz JMGJLEUBAWNYPD-SNPRPXQTSA-N -1 3 356.401 3.098 20 0 FGADHM C[C@]1(C(=O)Nc2ccc(F)c([N-]S(C)(=O)=O)c2)[C@@H]2Cc3ccccc3[C@@H]21 ZINC000367816678 499235596 /nfs/dbraw/zinc/23/55/96/499235596.db2.gz ULOVBNVODIPMLB-LJHODMEESA-N -1 3 374.437 3.112 20 0 FGADHM C[C@H](Oc1cccc2ccccc21)C(=O)[N-]c1nncn1-c1cccnc1 ZINC000367940131 499247771 /nfs/dbraw/zinc/24/77/71/499247771.db2.gz YPIOVVNTYVAVSB-AWEZNQCLSA-N -1 3 359.389 3.222 20 0 FGADHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H](C)[C@@H]([NH3+])c3ccccc3)c2)n1 ZINC000370798093 499255294 /nfs/dbraw/zinc/25/52/94/499255294.db2.gz IEYHWAPKQRAPCE-IFXJQAMLSA-N -1 3 362.433 3.432 20 0 FGADHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H](C)[C@@H](N)c3ccccc3)c2)n1 ZINC000370798093 499255296 /nfs/dbraw/zinc/25/52/96/499255296.db2.gz IEYHWAPKQRAPCE-IFXJQAMLSA-N -1 3 362.433 3.432 20 0 FGADHM Cc1ccc([C@H]2CCCN(C(=O)CCc3c(C)nc(C)[n-]c3=O)C2)cc1 ZINC000370800933 499255488 /nfs/dbraw/zinc/25/54/88/499255488.db2.gz IWKFLXSTDRXDIR-SFHVURJKSA-N -1 3 353.466 3.446 20 0 FGADHM COc1ccc(C(=O)N(C)[C@@H](c2ccc(F)cc2)c2cnccn2)c([O-])c1 ZINC000370994705 499278638 /nfs/dbraw/zinc/27/86/38/499278638.db2.gz VXCFQVKNVBVJCP-IBGZPJMESA-N -1 3 367.380 3.192 20 0 FGADHM COc1ccc(C(F)(F)C(=O)[N-][C@H](c2nc(C)no2)c2ccccc2)cc1 ZINC000371057419 499284469 /nfs/dbraw/zinc/28/44/69/499284469.db2.gz WXERCHSIYZVJHC-INIZCTEOSA-N -1 3 373.359 3.384 20 0 FGADHM C[C@@H](NC(=O)c1ccc(O)cc1[O-])c1nnc(-c2cccc(F)c2)s1 ZINC000369016194 499357356 /nfs/dbraw/zinc/35/73/56/499357356.db2.gz IMVBQWNWNGVHOY-SECBINFHSA-N -1 3 359.382 3.246 20 0 FGADHM CCC[C@H]1CCCN(C(=O)NC2CCN(C(=O)c3cccc([O-])c3)CC2)C1 ZINC000371966701 499384880 /nfs/dbraw/zinc/38/48/80/499384880.db2.gz NFBDVROSGFPLDT-INIZCTEOSA-N -1 3 373.497 3.219 20 0 FGADHM Cc1noc(C)c1CO[C@H]1CCN(C(=O)Cc2ccc([O-])cc2Cl)C1 ZINC000372000204 499388414 /nfs/dbraw/zinc/38/84/14/499388414.db2.gz UDSHRSBWSNXGPO-HNNXBMFYSA-N -1 3 364.829 3.011 20 0 FGADHM CCC[C@H](C)CS(=O)(=O)[N-][C@@H](c1nc(-c2cccnc2)no1)C(C)C ZINC000369292396 499388569 /nfs/dbraw/zinc/38/85/69/499388569.db2.gz GYZIIENZEDYGMO-DZGCQCFKSA-N -1 3 366.487 3.184 20 0 FGADHM CCCc1nc([C@H]([N-]S(=O)(=O)C[C@@H](C)CC)c2ccccc2)no1 ZINC000369488669 499408228 /nfs/dbraw/zinc/40/82/28/499408228.db2.gz WJQHBSMULHSNNO-XJKSGUPXSA-N -1 3 351.472 3.077 20 0 FGADHM COc1cc(C(=O)N2CCO[C@H](c3ccc(C)cc3C)C2)cc(OC)c1[O-] ZINC000372334989 499421784 /nfs/dbraw/zinc/42/17/84/499421784.db2.gz UBZGNCIHWVIEFA-IBGZPJMESA-N -1 3 371.433 3.240 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)[C@@H]2CCOC2)c(Cl)n1 ZINC000369632965 499428855 /nfs/dbraw/zinc/42/88/55/499428855.db2.gz ZKKLDWWLPXUQTN-GDBMZVCRSA-N -1 3 366.870 3.100 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(CO)c(F)c3)c2)n1 ZINC000373376986 499466256 /nfs/dbraw/zinc/46/62/56/499466256.db2.gz LPQDCLBGJGSZIA-UHFFFAOYSA-N -1 3 367.380 3.295 20 0 FGADHM O=C(CSCc1noc(-c2ccccc2[O-])n1)OCc1ccccc1 ZINC000373563688 499477195 /nfs/dbraw/zinc/47/71/95/499477195.db2.gz VHAIXUYPYMZWCD-UHFFFAOYSA-N -1 3 356.403 3.419 20 0 FGADHM CC1(C)CN(C(=O)c2cc([O-])c3ccccc3c2)C[C@@]2(CCCOC2)O1 ZINC000373777462 499487541 /nfs/dbraw/zinc/48/75/41/499487541.db2.gz LYKJHQPQOQYKGS-OAQYLSRUSA-N -1 3 355.434 3.346 20 0 FGADHM COc1cccc([C@H]([N-]S(=O)(=O)CCC(F)(F)F)c2ccccn2)c1 ZINC000375146850 499489441 /nfs/dbraw/zinc/48/94/41/499489441.db2.gz YZWZNQBQHIDHCS-HNNXBMFYSA-N -1 3 374.384 3.051 20 0 FGADHM Cc1cc([N-]C(=O)[C@H](C)N2CCC(c3ccnc(C(C)C)n3)CC2)on1 ZINC000378249294 499494595 /nfs/dbraw/zinc/49/45/95/499494595.db2.gz FVPOOOPDAMPJCE-AWEZNQCLSA-N -1 3 357.458 3.103 20 0 FGADHM c1cc(CN2CCC(N=c3[n-]nc(-c4ccccn4)s3)CC2)cs1 ZINC000375199371 499494810 /nfs/dbraw/zinc/49/48/10/499494810.db2.gz BDIAEIQQBHXXJN-UHFFFAOYSA-N -1 3 357.508 3.160 20 0 FGADHM CC(C)c1noc(-c2cc(Cl)ccc2NC([O-])=NOCC(C)(C)O)n1 ZINC000375502669 499526188 /nfs/dbraw/zinc/52/61/88/499526188.db2.gz NCWWTQYTQCZDER-UHFFFAOYSA-N -1 3 368.821 3.337 20 0 FGADHM CC(C)c1noc(-c2cc(Cl)ccc2NC(=O)[N-]OCC(C)(C)O)n1 ZINC000375502669 499526190 /nfs/dbraw/zinc/52/61/90/499526190.db2.gz NCWWTQYTQCZDER-UHFFFAOYSA-N -1 3 368.821 3.337 20 0 FGADHM CC[C@H](c1cccc(OC)c1)N(C)C(=O)N=c1cc(OC(F)F)n(C)[n-]1 ZINC000573243511 506151307 /nfs/dbraw/zinc/15/13/07/506151307.db2.gz PYCXRLVXKDNDOP-CYBMUJFWSA-N -1 3 368.384 3.067 20 0 FGADHM COC[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Br)C(C)C ZINC000381867870 499545121 /nfs/dbraw/zinc/54/51/21/499545121.db2.gz VXUWAPPXTQEZMD-LLVKDONJSA-N -1 3 370.696 3.052 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2CCCSC2)sc1Br ZINC000384091375 499547517 /nfs/dbraw/zinc/54/75/17/499547517.db2.gz BZSMQXLIQZRBSJ-VIFPVBQESA-N -1 3 370.359 3.241 20 0 FGADHM CC(C)(C)C[C@H](CO)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000393498949 499560527 /nfs/dbraw/zinc/56/05/27/499560527.db2.gz JHANGVPJBFWSAM-SNVBAGLBSA-N -1 3 373.824 3.434 20 0 FGADHM CC(C)(C)[C@H](CO)[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000393927701 499560795 /nfs/dbraw/zinc/56/07/95/499560795.db2.gz PGTMZOXFXMHXEP-NSHDSACASA-N -1 3 359.797 3.044 20 0 FGADHM C[C@@H]1CN(Cc2ccccc2)CCN1c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000394523204 499561691 /nfs/dbraw/zinc/56/16/91/499561691.db2.gz JFRBENTXIRNIIY-CQSZACIVSA-N -1 3 355.394 3.004 20 0 FGADHM CN(CCNC(=O)c1ccc(Br)cc1[O-])Cc1ccccc1 ZINC000395337161 499562646 /nfs/dbraw/zinc/56/26/46/499562646.db2.gz XFNHIYGNXIVINP-UHFFFAOYSA-N -1 3 363.255 3.017 20 0 FGADHM C[C@]1(CNC(=O)CC2(C(=O)[O-])CCCC2)CCCN1Cc1ccccc1 ZINC000397887360 499565218 /nfs/dbraw/zinc/56/52/18/499565218.db2.gz PQULAKQUHFNHHK-HXUWFJFHSA-N -1 3 358.482 3.192 20 0 FGADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCC(F)(c2cccnc2)CC1 ZINC000375895942 499565987 /nfs/dbraw/zinc/56/59/87/499565987.db2.gz REUVDPBXEPQAPU-UHFFFAOYSA-N -1 3 351.381 3.024 20 0 FGADHM C[C@@H]1CCCc2nc(S(=O)(=O)[N-][C@H]3CCCN(C)c4ccccc43)cn21 ZINC000582170578 506150443 /nfs/dbraw/zinc/15/04/43/506150443.db2.gz ZNFBMINIYMEIPF-ZBFHGGJFSA-N -1 3 374.510 3.030 20 0 FGADHM Cc1cccnc1C(F)(F)C(=O)[N-][C@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000376112422 499583963 /nfs/dbraw/zinc/58/39/63/499583963.db2.gz JETCKFCRNKUDTP-INIZCTEOSA-N -1 3 374.366 3.260 20 0 FGADHM O=C(c1ccc(C(=O)N2CCC[C@@H]2c2cc[nH]n2)cc1)c1cccc([O-])c1 ZINC000376154268 499587046 /nfs/dbraw/zinc/58/70/46/499587046.db2.gz FAARRSBLRVACPB-LJQANCHMSA-N -1 3 361.401 3.324 20 0 FGADHM CC1(C)CCC(C(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)CC1 ZINC000408410801 499587425 /nfs/dbraw/zinc/58/74/25/499587425.db2.gz ZIEDOSQJUWSWFG-UHFFFAOYSA-N -1 3 358.482 3.329 20 0 FGADHM COC(=O)c1nc[n-]c1NC(=O)c1oc2ccc(CCC(C)=O)cc2c1C ZINC000576408768 506151257 /nfs/dbraw/zinc/15/12/57/506151257.db2.gz MZFGCFJXBCLLRV-UHFFFAOYSA-N -1 3 369.377 3.025 20 0 FGADHM COC(=O)c1[n-]cnc1NC(=O)c1oc2ccc(CCC(C)=O)cc2c1C ZINC000576408768 506151261 /nfs/dbraw/zinc/15/12/61/506151261.db2.gz MZFGCFJXBCLLRV-UHFFFAOYSA-N -1 3 369.377 3.025 20 0 FGADHM C[C@@H](CS(=O)(=O)[N-]c1cccc2c1ccn(C)c2=O)c1ccccc1 ZINC000409478599 499599957 /nfs/dbraw/zinc/59/99/57/499599957.db2.gz GDVRFAVVENKKLV-AWEZNQCLSA-N -1 3 356.447 3.084 20 0 FGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2OC(F)F)c1 ZINC000410166310 499646491 /nfs/dbraw/zinc/64/64/91/499646491.db2.gz CBQDMCKJOWHLKB-VXGBXAGGSA-N -1 3 353.818 3.477 20 0 FGADHM CCOC(=O)c1nnsc1[N-]C(=O)[C@H](C)Oc1cccc(C(C)C)c1 ZINC000410328109 499655072 /nfs/dbraw/zinc/65/50/72/499655072.db2.gz MUJGTCATPXOHNT-NSHDSACASA-N -1 3 363.439 3.244 20 0 FGADHM O=C([N-]c1nc(-c2ccccc2F)co1)c1cnc(C2OCCO2)s1 ZINC000377238695 499672936 /nfs/dbraw/zinc/67/29/36/499672936.db2.gz PDDZUJDFSPNMHC-UHFFFAOYSA-N -1 3 361.354 3.235 20 0 FGADHM CCCCc1nc(C(=O)OCC)c(NC(=O)[C@@H]2CCC[C@@H](OC)C2)[n-]1 ZINC000410752593 499676738 /nfs/dbraw/zinc/67/67/38/499676738.db2.gz HMPPZJSJNSVYSL-CHWSQXEVSA-N -1 3 351.447 3.073 20 0 FGADHM CCCCc1nc(NC(=O)[C@@H]2CCC[C@@H](OC)C2)c(C(=O)OCC)[n-]1 ZINC000410752593 499676739 /nfs/dbraw/zinc/67/67/39/499676739.db2.gz HMPPZJSJNSVYSL-CHWSQXEVSA-N -1 3 351.447 3.073 20 0 FGADHM Cc1nc(-c2ccc(NC(=O)NCCCc3nccs3)cc2)cc(=O)[n-]1 ZINC000576424110 506155068 /nfs/dbraw/zinc/15/50/68/506155068.db2.gz YNJPXMMKOXNWHL-UHFFFAOYSA-N -1 3 369.450 3.368 20 0 FGADHM C[C@@H]1Oc2ccccc2[C@H]1[N-]S(=O)(=O)Cc1cccc2cccnc21 ZINC000377391524 499686058 /nfs/dbraw/zinc/68/60/58/499686058.db2.gz SVXUCPJQVKWKBY-UGSOOPFHSA-N -1 3 354.431 3.176 20 0 FGADHM Cc1ccc(CS(=O)(=O)[N-]Cc2nnc(-c3ccccc3)s2)cc1C ZINC000377397644 499686598 /nfs/dbraw/zinc/68/65/98/499686598.db2.gz KIBNKZFMVNLGBO-UHFFFAOYSA-N -1 3 373.503 3.442 20 0 FGADHM CCOC(=O)CCN(C)Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000411219943 499713008 /nfs/dbraw/zinc/71/30/08/499713008.db2.gz AXYIFHNMFVSKLH-UHFFFAOYSA-N -1 3 361.423 3.042 20 0 FGADHM O=C(CC1CCCC1)N1CCCN(C(=O)c2cc([O-])ccc2Cl)CC1 ZINC000377684130 499719538 /nfs/dbraw/zinc/71/95/38/499719538.db2.gz VSPAPVBTYALWHR-UHFFFAOYSA-N -1 3 364.873 3.300 20 0 FGADHM O=C(NC[C@H]1CCCN(Cc2ccccc2)C1)c1c(F)ccc([O-])c1F ZINC000377698138 499721465 /nfs/dbraw/zinc/72/14/65/499721465.db2.gz LIBJDHRZZOBJTA-OAHLLOKOSA-N -1 3 360.404 3.312 20 0 FGADHM CC(=O)c1ccc(C(=O)N2CCC(N(C)c3ccccc3)CC2)cc1[O-] ZINC000411490200 499747096 /nfs/dbraw/zinc/74/70/96/499747096.db2.gz MCXGQRAUVPWMNG-UHFFFAOYSA-N -1 3 352.434 3.336 20 0 FGADHM CC(C)CCOc1ccccc1CNC(=O)c1c[n-]c2ccncc2c1=O ZINC000411839641 499796241 /nfs/dbraw/zinc/79/62/41/499796241.db2.gz JFXZOVPAGGOSOL-UHFFFAOYSA-N -1 3 365.433 3.278 20 0 FGADHM Cc1cc(=O)c(-c2noc(Cc3ccc([O-])cc3Cl)n2)c2n1CCC2 ZINC000582216603 506160135 /nfs/dbraw/zinc/16/01/35/506160135.db2.gz WKWRCCIYNGBIKV-UHFFFAOYSA-N -1 3 357.797 3.103 20 0 FGADHM O=C([O-])[C@@H](c1ccccc1)N1CC[C@@H](NCc2ccc(C3CC3)cc2)C1=O ZINC000414664171 499818410 /nfs/dbraw/zinc/81/84/10/499818410.db2.gz SOQPWOWSUPJHFN-WOJBJXKFSA-N -1 3 364.445 3.080 20 0 FGADHM O=C(NC[C@H]1CCC[C@@H](C(F)(F)F)C1)c1c[n-]c2ccncc2c1=O ZINC000412168423 499829883 /nfs/dbraw/zinc/82/98/83/499829883.db2.gz HMZOSYWXWWWTMY-WDEREUQCSA-N -1 3 353.344 3.022 20 0 FGADHM CC(=O)c1ccc(C(=O)N[C@H](C[C@@H]2CCOC2)c2ccccc2)cc1[O-] ZINC000412201923 499833261 /nfs/dbraw/zinc/83/32/61/499833261.db2.gz CWFJBRVDNIJITC-HNAYVOBHSA-N -1 3 353.418 3.493 20 0 FGADHM CC(=O)c1ccc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)cc1[O-] ZINC000412229305 499836465 /nfs/dbraw/zinc/83/64/65/499836465.db2.gz HJGRXOYMYDUJQI-OAHLLOKOSA-N -1 3 358.825 3.257 20 0 FGADHM COc1ccc2c(c1)[n-]cc(C(=O)N1CCC[C@@H](C(F)(F)F)[C@H]1C)c2=O ZINC000412266116 499839464 /nfs/dbraw/zinc/83/94/64/499839464.db2.gz YIKCXIHTEFOPLY-QMTHXVAHSA-N -1 3 368.355 3.340 20 0 FGADHM CC(=O)c1ccc(C(=O)N2CC(C)(C)O[C@@](C)(C(F)(F)F)C2)cc1[O-] ZINC000412357168 499848552 /nfs/dbraw/zinc/84/85/52/499848552.db2.gz DKXQKSOJHSKWOU-MRXNPFEDSA-N -1 3 359.344 3.167 20 0 FGADHM CC[C@](NC(=O)Cc1ccc([O-])cc1Cl)(C(=O)OC)c1ccccc1 ZINC000579388163 506162320 /nfs/dbraw/zinc/16/23/20/506162320.db2.gz FMGAGMHEUNGLIJ-LJQANCHMSA-N -1 3 361.825 3.183 20 0 FGADHM COc1ccc(CN(C)C(=O)c2cc(OC)c([O-])c(OC)c2)cc1Cl ZINC000412791019 499885037 /nfs/dbraw/zinc/88/50/37/499885037.db2.gz AVXSJKMBBXNBPE-UHFFFAOYSA-N -1 3 365.813 3.344 20 0 FGADHM CCCC[C@H](CN)NC(=O)N=c1[n-]nc(-c2c(F)cccc2Cl)s1 ZINC000415512246 499897751 /nfs/dbraw/zinc/89/77/51/499897751.db2.gz SRDKVNVERBBSIG-SECBINFHSA-N -1 3 371.869 3.059 20 0 FGADHM C[C@@H](Cc1cn(C)c2ccc(F)cc12)NC(=O)Cc1ccc([O-])c(F)c1 ZINC000412955825 499899858 /nfs/dbraw/zinc/89/98/58/499899858.db2.gz YCDOTIGXSOGDIW-LBPRGKRZSA-N -1 3 358.388 3.452 20 0 FGADHM CN1CCC[C@H](CNC(=O)c2ccc(C(=O)[O-])cc2)[C@H]1c1cccs1 ZINC000582241215 506167159 /nfs/dbraw/zinc/16/71/59/506167159.db2.gz HFDAMXVLTBLQFI-WBVHZDCISA-N -1 3 358.463 3.259 20 0 FGADHM CCOC(=O)c1cnc([N-]C(=O)Nc2ccccc2OCC2CC2)n1C ZINC000417106697 499973972 /nfs/dbraw/zinc/97/39/72/499973972.db2.gz SNECJJFEWVKCGP-UHFFFAOYSA-N -1 3 358.398 3.030 20 0 FGADHM CC[C@H](CS(=O)(=O)[N-]c1ccc(Cl)cc1Br)OC ZINC000421157719 499975934 /nfs/dbraw/zinc/97/59/34/499975934.db2.gz RADOJWOUWUSTEI-SECBINFHSA-N -1 3 356.669 3.269 20 0 FGADHM CCOC(=O)c1cnc([N-]C(=O)N(CC)c2ccc(OCC)cc2)n1C ZINC000417121178 499977643 /nfs/dbraw/zinc/97/76/43/499977643.db2.gz ICJUXWRYNLYWSB-UHFFFAOYSA-N -1 3 360.414 3.054 20 0 FGADHM CCC(=O)Nc1ccc(C)c([N-]S(=O)(=O)C[C@@H](CC(C)C)OC)c1 ZINC000421160547 499978077 /nfs/dbraw/zinc/97/80/77/499978077.db2.gz YPUWVKPXWMKHAK-OAHLLOKOSA-N -1 3 356.488 3.146 20 0 FGADHM COC(=O)c1ccc(C(C)C)c([N-]S(=O)(=O)C[C@@H](CC(C)C)OC)c1 ZINC000421162535 499978364 /nfs/dbraw/zinc/97/83/64/499978364.db2.gz ZJQNUYFAQYBTDK-OAHLLOKOSA-N -1 3 371.499 3.399 20 0 FGADHM COC(=O)c1cnc([C@H](C)NC(=O)c2ccc3c(c2[O-])CCCC3)s1 ZINC000424984594 499983173 /nfs/dbraw/zinc/98/31/73/499983173.db2.gz UVZQRWJIYWFWFG-JTQLQIEISA-N -1 3 360.435 3.005 20 0 FGADHM CO[C@@H](Cc1ccccc1)CS(=O)(=O)[N-]c1cccc(N2CCCC2)c1 ZINC000421228334 499996712 /nfs/dbraw/zinc/99/67/12/499996712.db2.gz QJXFSAXLMMWLEU-FQEVSTJZSA-N -1 3 374.506 3.286 20 0 FGADHM COC1(C(F)(F)F)CCN(C(=O)Cc2ccc([O-])cc2Cl)CC1 ZINC000416268193 500001863 /nfs/dbraw/zinc/00/18/63/500001863.db2.gz GLWXQWDKGCHILA-UHFFFAOYSA-N -1 3 351.752 3.158 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC[C@H](O)C(F)(F)F)cc2)cc1 ZINC000573317323 506169560 /nfs/dbraw/zinc/16/95/60/506169560.db2.gz FLGJILOHHSMRFG-HNNXBMFYSA-N -1 3 374.384 3.131 20 0 FGADHM CC[C@@H](CS(=O)(=O)[N-]c1cccc(Br)c1Cl)OC ZINC000421252972 500002854 /nfs/dbraw/zinc/00/28/54/500002854.db2.gz VSNYAAPXTAFYOK-QMMMGPOBSA-N -1 3 356.669 3.269 20 0 FGADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)c2c[nH]c(C3CC3)n2)[nH][n-]1 ZINC000429110807 500005119 /nfs/dbraw/zinc/00/51/19/500005119.db2.gz FEWTTYQMQYFSGB-UHFFFAOYSA-N -1 3 357.801 3.013 20 0 FGADHM CN(C(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)[C@H]1CCC[C@H]1C(C)(C)C ZINC000416283307 500006549 /nfs/dbraw/zinc/00/65/49/500006549.db2.gz FIBSAASHXLGNCA-CJNGLKHVSA-N -1 3 370.490 3.484 20 0 FGADHM COC(=O)[C@H](CC(C)C)N(C)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000429150993 500014572 /nfs/dbraw/zinc/01/45/72/500014572.db2.gz MBFMRJYCYBKHJH-ZDUSSCGKSA-N -1 3 357.410 3.101 20 0 FGADHM COc1cc(NC(=O)c2ccc(Cl)cc2[O-])ccc1OCCN(C)C ZINC000416345055 500022453 /nfs/dbraw/zinc/02/24/53/500022453.db2.gz WJNSFAZLCPZYHZ-UHFFFAOYSA-N -1 3 364.829 3.247 20 0 FGADHM CCOc1cc(CN2C[C@H](C)C[C@@H](CO)C2)cc(Br)c1[O-] ZINC000421365086 500028591 /nfs/dbraw/zinc/02/85/91/500028591.db2.gz UCJBJJIBKTVIAC-DGCLKSJQSA-N -1 3 358.276 3.004 20 0 FGADHM CC(C)c1nc(S(=O)(=O)[N-]Cc2ccc(C(F)(F)F)cc2)cn1C ZINC000416370162 500030328 /nfs/dbraw/zinc/03/03/28/500030328.db2.gz GWRLVBYOOAJEJG-UHFFFAOYSA-N -1 3 361.389 3.041 20 0 FGADHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cccc(Cl)c2Br)CS1 ZINC000416603832 500071325 /nfs/dbraw/zinc/07/13/25/500071325.db2.gz YKMFOBKCRFMKCI-HTQZYQBOSA-N -1 3 370.721 3.275 20 0 FGADHM O=C([O-])[C@H]1CCO[C@H]1C1CCN(Cc2cc(-c3ccc(F)cc3)no2)CC1 ZINC000570457011 506171977 /nfs/dbraw/zinc/17/19/77/506171977.db2.gz VKYDEIPEUSLXNN-HKUYNNGSSA-N -1 3 374.412 3.182 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]CC(=O)C2CCC(F)(F)CC2)sc1Cl ZINC000425189014 500039362 /nfs/dbraw/zinc/03/93/62/500039362.db2.gz BYAPJIFNCVRPEL-UHFFFAOYSA-N -1 3 371.858 3.383 20 0 FGADHM COc1ccc(CN2CCC[C@H](CCO)CC2)c(Br)c1[O-] ZINC000421402380 500039434 /nfs/dbraw/zinc/03/94/34/500039434.db2.gz VSFDENRRORHICQ-LBPRGKRZSA-N -1 3 358.276 3.148 20 0 FGADHM C[C@H](CCCC(F)(F)F)[N-]S(=O)(=O)c1cn2c(n1)CCC[C@@H]2C ZINC000416473248 500048955 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O=C([N-]c1cc(-c2ccc(Br)o2)no1)c1ccc[nH]c1=O ZINC000427675128 500419978 /nfs/dbraw/zinc/41/99/78/500419978.db2.gz VKOCHPYOXGEFOZ-UHFFFAOYSA-N -1 3 350.128 3.050 20 0 FGADHM CCOc1cc(C(=O)NC[C@@H](N)c2ccccc2CC)cc(Cl)c1[O-] ZINC000423940286 500421915 /nfs/dbraw/zinc/42/19/15/500421915.db2.gz NNOTWWLNINPSEA-MRXNPFEDSA-N -1 3 362.857 3.437 20 0 FGADHM CC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)OC)c(C)o1)c1ccc(F)cc1F ZINC000431824093 500430101 /nfs/dbraw/zinc/43/01/01/500430101.db2.gz NLPBDDWRAKHBOL-CQSZACIVSA-N -1 3 373.377 3.082 20 0 FGADHM Cc1c(NC(=O)CNC(=O)c2cccc([O-])c2)cccc1C(F)(F)F ZINC000427771118 500430438 /nfs/dbraw/zinc/43/04/38/500430438.db2.gz NTZLIODNVJPLNW-UHFFFAOYSA-N -1 3 352.312 3.088 20 0 FGADHM Cc1cc(C)c(-c2cc(=NC(=O)c3snnc3C3CC3)[nH][n-]2)cc1C ZINC000570555969 506195398 /nfs/dbraw/zinc/19/53/98/506195398.db2.gz ZIUFLNMNFLGSOR-UHFFFAOYSA-N -1 3 353.451 3.405 20 0 FGADHM Cc1cc(C)n(-c2cccc(NC(=O)c3cc(F)cc4[n-]nnc43)c2)n1 ZINC000431907896 500441971 /nfs/dbraw/zinc/44/19/71/500441971.db2.gz VHAKGQSXIGPDIL-UHFFFAOYSA-N -1 3 350.357 3.152 20 0 FGADHM Cc1cc(C)n(-c2cccc(NC(=O)c3cc(F)cc4nn[n-]c43)c2)n1 ZINC000431907896 500441973 /nfs/dbraw/zinc/44/19/73/500441973.db2.gz VHAKGQSXIGPDIL-UHFFFAOYSA-N -1 3 350.357 3.152 20 0 FGADHM Cc1cc(C)n(-c2cccc(NC(=O)c3cc(F)cc4n[n-]nc43)c2)n1 ZINC000431907896 500441977 /nfs/dbraw/zinc/44/19/77/500441977.db2.gz VHAKGQSXIGPDIL-UHFFFAOYSA-N -1 3 350.357 3.152 20 0 FGADHM O=C(CCC1CCCC1)N1CCN(C(=O)c2cc([O-])ccc2Cl)CC1 ZINC000431914881 500442586 /nfs/dbraw/zinc/44/25/86/500442586.db2.gz WFLLQEGIFOZKNJ-UHFFFAOYSA-N -1 3 364.873 3.300 20 0 FGADHM O=C(CNC(=O)c1cccc([O-])c1)NC1CCC(c2ccc(F)cc2)CC1 ZINC000427924197 500446073 /nfs/dbraw/zinc/44/60/73/500446073.db2.gz IUSMTNYVSANCSE-UHFFFAOYSA-N -1 3 370.424 3.104 20 0 FGADHM CC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)OC)c(C)o1)c1ccc(Cl)cc1 ZINC000431993261 500452683 /nfs/dbraw/zinc/45/26/83/500452683.db2.gz QHDBBNIBYSDFOG-CQSZACIVSA-N -1 3 371.842 3.458 20 0 FGADHM COC(=O)c1ccc(C(=O)Nc2ccc(Oc3ccc(F)cc3)nc2)[n-]1 ZINC000432001520 500453379 /nfs/dbraw/zinc/45/33/79/500453379.db2.gz QXDWZNWONRQYIC-UHFFFAOYSA-N -1 3 355.325 3.380 20 0 FGADHM CCOC(=O)CN(Cc1nc2c3ccccc3oc2c(=O)[n-]1)C(C)(C)C ZINC000432007178 500454562 /nfs/dbraw/zinc/45/45/62/500454562.db2.gz OMCDQPXJCYQVJZ-UHFFFAOYSA-N -1 3 357.410 3.245 20 0 FGADHM CC1(C)CC[C@@H](CNC(=O)CNC(=O)c2cccc([O-])c2)c2ccccc21 ZINC000428029532 500459788 /nfs/dbraw/zinc/45/97/88/500459788.db2.gz ZJXRHXAYRLMCND-INIZCTEOSA-N -1 3 366.461 3.093 20 0 FGADHM CCCc1c([N-]S(=O)(=O)N(CC)CC)cnn1-c1ccccc1C ZINC000432052368 500461036 /nfs/dbraw/zinc/46/10/36/500461036.db2.gz KMDOTJGREWRXCV-UHFFFAOYSA-N -1 3 350.488 3.132 20 0 FGADHM CCN(Cc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccccc2)cc1)C1CC1 ZINC000428072098 500465079 /nfs/dbraw/zinc/46/50/79/500465079.db2.gz IFLVKEIBMQFQPK-LJQANCHMSA-N -1 3 352.434 3.227 20 0 FGADHM Cc1ccc([N-]S(=O)(=O)c2c(F)cc(C)cc2F)c(CN(C)C)c1 ZINC000424209305 500468985 /nfs/dbraw/zinc/46/89/85/500468985.db2.gz RPFOVWYEULVURK-UHFFFAOYSA-N -1 3 354.422 3.444 20 0 FGADHM CN(C(=O)CN1CCCC[C@H]1CCC(=O)[O-])[C@H]1CCCc2ccccc21 ZINC000424254891 500475837 /nfs/dbraw/zinc/47/58/37/500475837.db2.gz HICANRBFCOHJLK-HKUYNNGSSA-N -1 3 358.482 3.242 20 0 FGADHM Cc1ccc(CN(C(=O)CN2CCCC[C@H]2CCC(=O)[O-])C2CC2)cc1 ZINC000424255312 500476040 /nfs/dbraw/zinc/47/60/40/500476040.db2.gz HNBIEKYEYRHNKD-SFHVURJKSA-N -1 3 358.482 3.205 20 0 FGADHM CO[C@H](CC(C)C)CS(=O)(=O)[N-][C@@H](c1ccco1)c1ccccc1 ZINC000420654013 500483957 /nfs/dbraw/zinc/48/39/57/500483957.db2.gz XPNAJRUKZPSWGG-SJLPKXTDSA-N -1 3 351.468 3.350 20 0 FGADHM CO[C@H](CC(C)C)CS(=O)(=O)[N-][C@H](c1ccco1)c1ccccc1 ZINC000420654011 500484058 /nfs/dbraw/zinc/48/40/58/500484058.db2.gz XPNAJRUKZPSWGG-AEFFLSMTSA-N -1 3 351.468 3.350 20 0 FGADHM CCS[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(F)ccc1OC(F)F ZINC000420665770 500485565 /nfs/dbraw/zinc/48/55/65/500485565.db2.gz GSFUWJQKVIXOAK-CMPLNLGQSA-N -1 3 369.430 3.380 20 0 FGADHM CC[C@H](C[C@H](C)CO)[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000420667552 500485741 /nfs/dbraw/zinc/48/57/41/500485741.db2.gz IXHYFSVYDMJRDO-GXSJLCMTSA-N -1 3 371.833 3.017 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F)[C@@H](O)C(C)C ZINC000420704437 500490131 /nfs/dbraw/zinc/49/01/31/500490131.db2.gz WMQISNLYKNLUNU-GWCFXTLKSA-N -1 3 371.833 3.015 20 0 FGADHM CC[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(C)c(Br)s2)CCO1 ZINC000420724671 500491998 /nfs/dbraw/zinc/49/19/98/500491998.db2.gz KXPVTSQPJBZCNG-UWVGGRQHSA-N -1 3 368.318 3.055 20 0 FGADHM O=S(=O)([N-][C@@H](c1ccccc1)C1(CO)CCC1)c1ccc(F)c(F)c1 ZINC000432286904 500493884 /nfs/dbraw/zinc/49/38/84/500493884.db2.gz SHZUOXQXGMKJCY-KRWDZBQOSA-N -1 3 367.417 3.147 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]c2cccc3c2OCC[C@@H]3N(C)C)ccc1F ZINC000432476992 500520464 /nfs/dbraw/zinc/52/04/64/500520464.db2.gz LNPSQPLKORYUIQ-KRWDZBQOSA-N -1 3 364.442 3.320 20 0 FGADHM CCc1ccc(S(=O)(=O)[N-]c2cccc3c2OCC[C@H]3N(C)C)cc1 ZINC000432498475 500523692 /nfs/dbraw/zinc/52/36/92/500523692.db2.gz XZCCHZRZLWAFQC-GOSISDBHSA-N -1 3 360.479 3.435 20 0 FGADHM C[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000424678763 500541155 /nfs/dbraw/zinc/54/11/55/500541155.db2.gz ISCGAPDAXBWYJK-BXUZGUMPSA-N -1 3 354.447 3.031 20 0 FGADHM CCOc1cc(CCCNC(=O)c2cccc(OC)c2[O-])ccc1OC ZINC000436929171 500572476 /nfs/dbraw/zinc/57/24/76/500572476.db2.gz YJBYHVUBNPQZNM-UHFFFAOYSA-N -1 3 359.422 3.171 20 0 FGADHM COc1cccc(-c2nc(CN(C(=O)c3ccccc3)C3CC3)no2)c1[O-] ZINC000436931573 500573257 /nfs/dbraw/zinc/57/32/57/500573257.db2.gz LHBREBLJHWJBLA-UHFFFAOYSA-N -1 3 365.389 3.256 20 0 FGADHM Cc1nc(NC(=O)c2nc[n-]n2)sc1Cc1cccc(Cl)c1F ZINC000447193446 500574972 /nfs/dbraw/zinc/57/49/72/500574972.db2.gz QOSVTRAVKWLOLP-UHFFFAOYSA-N -1 3 351.794 3.205 20 0 FGADHM COc1ccc([C@H](CNC(=O)c2c([O-])cccc2F)N2CCCCC2)cc1 ZINC000436945661 500576049 /nfs/dbraw/zinc/57/60/49/500576049.db2.gz UTYPTANAUQUUPY-SFHVURJKSA-N -1 3 372.440 3.497 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N2CCCSc3ccccc32)c([O-])c1 ZINC000436944174 500576236 /nfs/dbraw/zinc/57/62/36/500576236.db2.gz AAMTVZRVFYIIFX-UHFFFAOYSA-N -1 3 370.474 3.350 20 0 FGADHM O=C(NCc1ccc(-n2cnc3ccccc32)cc1)c1ccc(O)cc1[O-] ZINC000436948692 500576586 /nfs/dbraw/zinc/57/65/86/500576586.db2.gz PKNVAKCOEWPOPU-UHFFFAOYSA-N -1 3 359.385 3.367 20 0 FGADHM COc1ccc(-c2cc(C(=O)Nc3c(C)cccc3[O-])n[nH]2)cc1OC ZINC000436949517 500576868 /nfs/dbraw/zinc/57/68/68/500576868.db2.gz KTPLULFVJYCJBB-UHFFFAOYSA-N -1 3 353.378 3.360 20 0 FGADHM CC[C@@H]1CC[C@@H](C)N1C(=O)C(=O)[N-]c1scc(C2CC2)c1C(=O)OC ZINC000442272137 500577779 /nfs/dbraw/zinc/57/77/79/500577779.db2.gz NHLFJRABGLHDLV-ZYHUDNBSSA-N -1 3 364.467 3.140 20 0 FGADHM C[C@H](NC(=O)c1ccc2c(c1[O-])CCCC2)c1ccc(NC(N)=O)cc1 ZINC000436953038 500578498 /nfs/dbraw/zinc/57/84/98/500578498.db2.gz ZMPQZMACSLYVLB-LBPRGKRZSA-N -1 3 353.422 3.253 20 0 FGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C2(CC(C)C)CC2)cc1OC ZINC000442293735 500580240 /nfs/dbraw/zinc/58/02/40/500580240.db2.gz OKBCDLXHLQDROV-UHFFFAOYSA-N -1 3 354.472 3.222 20 0 FGADHM COC(=O)[C@@H](c1ccccc1)N(C)C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000436972578 500583800 /nfs/dbraw/zinc/58/38/00/500583800.db2.gz UDWGKMMOPKEDQX-GOSISDBHSA-N -1 3 353.418 3.257 20 0 FGADHM O=C(NCCNc1ccccn1)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436977026 500584276 /nfs/dbraw/zinc/58/42/76/500584276.db2.gz CQIPHZJRBKVLEX-UHFFFAOYSA-N -1 3 363.417 3.208 20 0 FGADHM CC[C@]1(C)CCN(C(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])C1 ZINC000436975596 500584760 /nfs/dbraw/zinc/58/47/60/500584760.db2.gz LLOFOGXBYRJLKX-LJQANCHMSA-N -1 3 357.410 3.203 20 0 FGADHM COC(=O)c1ccc2c(c1)CN(C(=O)c1ccc3c(c1[O-])CCCC3)CC2 ZINC000436982795 500586146 /nfs/dbraw/zinc/58/61/46/500586146.db2.gz YSJWYNGOAVRBOE-UHFFFAOYSA-N -1 3 365.429 3.256 20 0 FGADHM CCCCOc1ccc(C(=O)NC[C@H](CCO)c2ccccc2)c([O-])c1 ZINC000436985609 500586839 /nfs/dbraw/zinc/58/68/39/500586839.db2.gz IAPHODKYDXATFI-KRWDZBQOSA-N -1 3 357.450 3.467 20 0 FGADHM CCCCOc1ccc(C(=O)N[C@@H]2CCO[C@@]3(CCSC3)C2)c([O-])c1 ZINC000436988911 500588349 /nfs/dbraw/zinc/58/83/49/500588349.db2.gz QICJCXVQCRASHK-KUHUBIRLSA-N -1 3 365.495 3.356 20 0 FGADHM COc1nn(C)cc1NC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436992754 500588824 /nfs/dbraw/zinc/58/88/24/500588824.db2.gz YAPKGFPHFSZNNB-UHFFFAOYSA-N -1 3 351.406 3.172 20 0 FGADHM CC(C)Cn1cnc(S(=O)(=O)[N-]C[C@@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000437306474 500627366 /nfs/dbraw/zinc/62/73/66/500627366.db2.gz LZWYUVOWSWCDGR-CHWSQXEVSA-N -1 3 367.437 3.186 20 0 FGADHM CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1nc(C)ccc1[O-] ZINC000447629222 500636794 /nfs/dbraw/zinc/63/67/94/500636794.db2.gz KCDISHIKFHAGIL-SUMWQHHRSA-N -1 3 367.449 3.034 20 0 FGADHM O=S(=O)([N-]c1ccncc1)c1ccc(OCC(F)F)c2ccccc21 ZINC000437421554 500643302 /nfs/dbraw/zinc/64/33/02/500643302.db2.gz OAHYSLWUEIXXRE-UHFFFAOYSA-N -1 3 364.373 3.101 20 0 FGADHM CC(C)(C[N-]S(=O)(=O)c1cnccc1C(F)(F)F)c1ccccc1 ZINC000442911180 500645775 /nfs/dbraw/zinc/64/57/75/500645775.db2.gz DYZXADAENROZKL-UHFFFAOYSA-N -1 3 358.385 3.357 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1cnccc1C(F)(F)F)c1c(F)cccc1F ZINC000442917497 500646732 /nfs/dbraw/zinc/64/67/32/500646732.db2.gz HDHSZTFAHJOKFN-MRVPVSSYSA-N -1 3 366.311 3.418 20 0 FGADHM CCCC(=O)N1CCCC[C@H]1C(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000442934881 500649300 /nfs/dbraw/zinc/64/93/00/500649300.db2.gz QRYKWYGWNXTMDQ-ZDUSSCGKSA-N -1 3 374.359 3.411 20 0 FGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](CCO)C(C)(C)C)c1Cl ZINC000443114025 500681589 /nfs/dbraw/zinc/68/15/89/500681589.db2.gz JTBRPXHOWUNBLU-NSHDSACASA-N -1 3 354.299 3.377 20 0 FGADHM COC(=O)c1sccc1S(=O)(=O)[N-]CCCCCc1ccccc1 ZINC000443072676 500673987 /nfs/dbraw/zinc/67/39/87/500673987.db2.gz VRVYAHTVFQAAIR-UHFFFAOYSA-N -1 3 367.492 3.226 20 0 FGADHM COc1cc(C(=O)N[C@@H](c2cccc(F)c2)c2ccccn2)ccc1[O-] ZINC000443075868 500674909 /nfs/dbraw/zinc/67/49/09/500674909.db2.gz RNMRKJQXLOSIKU-IBGZPJMESA-N -1 3 352.365 3.454 20 0 FGADHM COc1cc(C(=O)N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2)ccc1[O-] ZINC000443075890 500675514 /nfs/dbraw/zinc/67/55/14/500675514.db2.gz RRGWUJBFZCCVFY-GFCCVEGCSA-N -1 3 364.804 3.202 20 0 FGADHM COC(=O)c1cc(F)c(C)c(S(=O)(=O)[N-]c2ccsc2Cl)c1 ZINC000437666867 500679325 /nfs/dbraw/zinc/67/93/25/500679325.db2.gz LMLRTZJBDNRUAJ-UHFFFAOYSA-N -1 3 363.819 3.436 20 0 FGADHM O=S(=O)([N-]CC1(c2c(Cl)cccc2Cl)CCC1)c1c[nH]cn1 ZINC000447853887 500679326 /nfs/dbraw/zinc/67/93/26/500679326.db2.gz IVFCQUXBCAOOGJ-UHFFFAOYSA-N -1 3 360.266 3.117 20 0 FGADHM Cc1cnn(-c2ccc(C)cc2NC(=O)c2cc(F)cc3[n-]nnc32)c1 ZINC000433370514 500682648 /nfs/dbraw/zinc/68/26/48/500682648.db2.gz HHTDNNNHLGKXKT-UHFFFAOYSA-N -1 3 350.357 3.152 20 0 FGADHM Cc1cnn(-c2ccc(C)cc2NC(=O)c2cc(F)cc3nn[n-]c32)c1 ZINC000433370514 500682651 /nfs/dbraw/zinc/68/26/51/500682651.db2.gz HHTDNNNHLGKXKT-UHFFFAOYSA-N -1 3 350.357 3.152 20 0 FGADHM Cc1cnn(-c2ccc(C)cc2NC(=O)c2cc(F)cc3n[n-]nc32)c1 ZINC000433370514 500682653 /nfs/dbraw/zinc/68/26/53/500682653.db2.gz HHTDNNNHLGKXKT-UHFFFAOYSA-N -1 3 350.357 3.152 20 0 FGADHM CC(C)c1n[n-]c(=NC2CCN(CCOc3ccc(F)cc3)CC2)s1 ZINC000433438744 500693521 /nfs/dbraw/zinc/69/35/21/500693521.db2.gz DEEAUSSQTLUKBY-UHFFFAOYSA-N -1 3 364.490 3.178 20 0 FGADHM CC[C@H](C[C@H](C)CO)[N-]S(=O)(=O)c1cc(Cl)c(OC)cc1Cl ZINC000443339336 500712353 /nfs/dbraw/zinc/71/23/53/500712353.db2.gz XXZZTAQPXOLQKC-VHSXEESVSA-N -1 3 370.298 3.077 20 0 FGADHM C[C@@]1(C[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)CCCC[C@@H]1O ZINC000443360748 500714604 /nfs/dbraw/zinc/71/46/04/500714604.db2.gz SQLHPJNJCITQRI-KBPBESRZSA-N -1 3 352.283 3.213 20 0 FGADHM O=S(=O)([N-]C[C@@H](O)C1CCCCC1)c1cccc(Cl)c1Cl ZINC000443387546 500717908 /nfs/dbraw/zinc/71/79/08/500717908.db2.gz ORHYZSLUHJNHOX-GFCCVEGCSA-N -1 3 352.283 3.213 20 0 FGADHM C[S@@](=O)Cc1cccc(C(=O)Nc2ccc(OC(F)(F)F)cc2[O-])c1 ZINC000443561100 500738366 /nfs/dbraw/zinc/73/83/66/500738366.db2.gz RSVUJANNPQEAHO-RUZDIDTESA-N -1 3 373.352 3.422 20 0 FGADHM C[S@@](=O)C1(CNC(=O)c2cc(CCc3ccccc3)ccc2[O-])CCC1 ZINC000438130323 500742051 /nfs/dbraw/zinc/74/20/51/500742051.db2.gz UHLLQNOJJYRQDF-AREMUKBSSA-N -1 3 371.502 3.208 20 0 FGADHM COC(=O)c1cccc2nc(NC(=O)C3(Cc4ccc(F)cc4)CC3)[n-]c21 ZINC000438175887 500750458 /nfs/dbraw/zinc/75/04/58/500750458.db2.gz PTTKLAGTCRALDP-UHFFFAOYSA-N -1 3 367.380 3.450 20 0 FGADHM COC(=O)c1cccc2[n-]c(NC(=O)C3(Cc4ccc(F)cc4)CC3)nc21 ZINC000438175887 500750459 /nfs/dbraw/zinc/75/04/59/500750459.db2.gz PTTKLAGTCRALDP-UHFFFAOYSA-N -1 3 367.380 3.450 20 0 FGADHM Cc1ccccc1O[C@@H]1CCCC[C@H]1NC(=O)c1ccc2n[n-]nc2c1 ZINC000448445761 500760729 /nfs/dbraw/zinc/76/07/29/500760729.db2.gz IPMVKOWANBZYPW-VQIMIIECSA-N -1 3 350.422 3.386 20 0 FGADHM O=C([N-]c1cc(C(F)(F)F)[nH]n1)c1cc(-c2ccc3c(c2)CCO3)no1 ZINC000448516633 500766749 /nfs/dbraw/zinc/76/67/49/500766749.db2.gz XVZFVMXQKNOQQB-UHFFFAOYSA-N -1 3 364.283 3.271 20 0 FGADHM C[C@@H](NC(=O)c1c[n-]c2ccc(Br)cc2c1=O)c1ccccn1 ZINC000443922084 500778536 /nfs/dbraw/zinc/77/85/36/500778536.db2.gz VOJIXCNQYTUUFP-SNVBAGLBSA-N -1 3 372.222 3.177 20 0 FGADHM CCC(=O)Nc1ccc(S(=O)(=O)[N-][C@H]([C@H](C)CC)C(F)(F)F)cc1 ZINC000443937036 500780295 /nfs/dbraw/zinc/78/02/95/500780295.db2.gz AYZNXUOFPYFLJE-QMTHXVAHSA-N -1 3 366.405 3.290 20 0 FGADHM CC(C)CCCC(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000448599136 500781472 /nfs/dbraw/zinc/78/14/72/500781472.db2.gz XSOFAROHLAOYFL-UHFFFAOYSA-N -1 3 366.405 3.292 20 0 FGADHM O=C(Nc1n[n-]c(-c2ccc(Br)cc2F)n1)[C@H]1C[C@H]1C1CC1 ZINC000434071074 500790853 /nfs/dbraw/zinc/79/08/53/500790853.db2.gz IFFZUSRIAOYHIN-QWRGUYRKSA-N -1 3 365.206 3.358 20 0 FGADHM Cc1nc(CC[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2F)cs1 ZINC000444062180 500798167 /nfs/dbraw/zinc/79/81/67/500798167.db2.gz IXNPKRSJLBVJIA-UHFFFAOYSA-N -1 3 368.377 3.130 20 0 FGADHM CN(C)c1nc(C(=O)Nc2c(F)cccc2Oc2ccccc2)cc(=O)[n-]1 ZINC000434116997 500798447 /nfs/dbraw/zinc/79/84/47/500798447.db2.gz ZJVJWOIITQYHMU-UHFFFAOYSA-N -1 3 368.368 3.432 20 0 FGADHM CC[C@@H]([N-]S(=O)(=O)c1ccccc1SC)c1c(C)nn(C)c1C ZINC000444074375 500799777 /nfs/dbraw/zinc/79/97/77/500799777.db2.gz HXIAJEMTQYOSMQ-CYBMUJFWSA-N -1 3 353.513 3.188 20 0 FGADHM C[C@H](Cc1ccncc1)NC(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000444190273 500815568 /nfs/dbraw/zinc/81/55/68/500815568.db2.gz WJOYONASHCSDAF-OAHLLOKOSA-N -1 3 360.413 3.379 20 0 FGADHM C[C@@H]1CN(Cc2ccccc2NC(=O)Cc2ccc([O-])c(F)c2)C[C@H](C)O1 ZINC000448727995 500816346 /nfs/dbraw/zinc/81/63/46/500816346.db2.gz BOPIKSLVEQFCDL-GASCZTMLSA-N -1 3 372.440 3.322 20 0 FGADHM Cc1cc(Br)cc(S(=O)(=O)[N-]C[C@H](C)C(F)(F)F)c1 ZINC000444203908 500817038 /nfs/dbraw/zinc/81/70/38/500817038.db2.gz HRTFZGYLFXFGFW-QMMMGPOBSA-N -1 3 360.195 3.234 20 0 FGADHM CC[C@@]1(C)COCCN1C(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000444293973 500830644 /nfs/dbraw/zinc/83/06/44/500830644.db2.gz PMQXMFOCQLPNSI-NRFANRHFSA-N -1 3 353.418 3.264 20 0 FGADHM Cc1ncc(CNC(=O)C2(Cc3ccc(C(F)(F)F)cc3)CC2)c(=O)[n-]1 ZINC000444300142 500831917 /nfs/dbraw/zinc/83/19/17/500831917.db2.gz FMYARAGLGDBQKM-UHFFFAOYSA-N -1 3 365.355 3.149 20 0 FGADHM 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RREQRPDWSMZRHL-CQSZACIVSA-N -1 3 363.255 3.230 20 0 FGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]C1CCC2(CC2)CC1 ZINC000434779460 500893485 /nfs/dbraw/zinc/89/34/85/500893485.db2.gz VREQEJFZMFCJMT-UHFFFAOYSA-N -1 3 357.859 3.128 20 0 FGADHM CCOC(=O)c1nc(C2CCN(Cc3ccc(Cl)c(F)c3)CC2)n[n-]1 ZINC000444814621 500905819 /nfs/dbraw/zinc/90/58/19/500905819.db2.gz TVQGCFXVKUDSCY-UHFFFAOYSA-N -1 3 366.824 3.154 20 0 FGADHM CCOC(=O)c1nnc(C2CCN(Cc3ccc(Cl)c(F)c3)CC2)[n-]1 ZINC000444814621 500905822 /nfs/dbraw/zinc/90/58/22/500905822.db2.gz TVQGCFXVKUDSCY-UHFFFAOYSA-N -1 3 366.824 3.154 20 0 FGADHM COc1ccc(-c2n[nH]cc2C(=O)N=c2cc(-c3ccccc3)[n-][nH]2)cc1 ZINC000444845354 500910794 /nfs/dbraw/zinc/91/07/94/500910794.db2.gz DYVCUMJCIXPDMT-UHFFFAOYSA-N -1 3 359.389 3.150 20 0 FGADHM CCOc1ccc(OCC(=O)Nc2n[n-]c(-c3ccccc3F)n2)cc1 ZINC000598915079 506223982 /nfs/dbraw/zinc/22/39/82/506223982.db2.gz WBGYYQGEJFOSGE-UHFFFAOYSA-N -1 3 356.357 3.027 20 0 FGADHM COC(=O)c1cc(C(=O)[N-]c2n[nH]c(C)c2-c2cccc(Cl)c2)on1 ZINC000611588028 506224413 /nfs/dbraw/zinc/22/44/13/506224413.db2.gz BVMZGRCDDDDNLV-UHFFFAOYSA-N -1 3 360.757 3.065 20 0 FGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CCCc3sccc32)cc1F ZINC000445040061 500936017 /nfs/dbraw/zinc/93/60/17/500936017.db2.gz UWFSUVIPYWVGCM-AWEZNQCLSA-N -1 3 369.439 3.030 20 0 FGADHM Cc1cccc(S(=O)(=O)[N-]CCCC(F)(F)F)c1Br ZINC000435220778 500945298 /nfs/dbraw/zinc/94/52/98/500945298.db2.gz SGCRXHHFINDLIF-UHFFFAOYSA-N -1 3 360.195 3.378 20 0 FGADHM COC[C@H]1CN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])C[C@@H](C)O1 ZINC000439934918 500957275 /nfs/dbraw/zinc/95/72/75/500957275.db2.gz LPMPEQLHVGPVAI-VQIMIIECSA-N -1 3 369.461 3.053 20 0 FGADHM C[C@@H](C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)CN1CCCC1 ZINC000435421483 500971033 /nfs/dbraw/zinc/97/10/33/500971033.db2.gz JKSYTWOWWOIBFA-JTQLQIEISA-N -1 3 369.289 3.143 20 0 FGADHM CC(C)C[C@@H](CN(C)C)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000440088351 500973919 /nfs/dbraw/zinc/97/39/19/500973919.db2.gz NUAHFAXYTIKZLV-NSHDSACASA-N -1 3 353.315 3.248 20 0 FGADHM CCOc1ccccc1NC(=O)Cc1noc(-c2cc(OC)ccc2[O-])n1 ZINC000445346569 500975954 /nfs/dbraw/zinc/97/59/54/500975954.db2.gz VDFKPLADRWSPTE-UHFFFAOYSA-N -1 3 369.377 3.031 20 0 FGADHM CCOc1cc(-c2noc(-c3ccnc(O[C@H]4CCOC4)c3)n2)ccc1[O-] ZINC000445419715 500983470 /nfs/dbraw/zinc/98/34/70/500983470.db2.gz RXPYXVMQDIIJIZ-AWEZNQCLSA-N -1 3 369.377 3.071 20 0 FGADHM CCOc1cc(-c2noc(-c3cnc4cc(C)nn4c3C)n2)ccc1[O-] ZINC000445431901 500984479 /nfs/dbraw/zinc/98/44/79/500984479.db2.gz QLSQNDMFKRSURT-UHFFFAOYSA-N -1 3 351.366 3.167 20 0 FGADHM Cc1cc(C)cc(-c2cc(=NC(=O)c3cccc(C(=O)NC4CC4)c3)[nH][n-]2)c1 ZINC000440257919 500991742 /nfs/dbraw/zinc/99/17/42/500991742.db2.gz GWRSSBCOGPJAQV-UHFFFAOYSA-N -1 3 374.444 3.260 20 0 FGADHM C[N-]S(=O)(=O)c1cc(-c2nc(C(C)(C)C3CCCCC3)no2)c(C)o1 ZINC000445511393 500995443 /nfs/dbraw/zinc/99/54/43/500995443.db2.gz ITTPRNAMYHMCRX-UHFFFAOYSA-N -1 3 367.471 3.404 20 0 FGADHM CCN1CCC[C@H]([N-]S(=O)(=O)c2c(Cl)ccc3ccccc32)C1 ZINC000440384192 501002302 /nfs/dbraw/zinc/00/23/02/501002302.db2.gz BVVDFYOKTBNYFR-AWEZNQCLSA-N -1 3 352.887 3.256 20 0 FGADHM Cn1cc(CCC[N-]S(=O)(=O)c2c(Cl)ccc3ccccc32)cn1 ZINC000440397117 501004128 /nfs/dbraw/zinc/00/41/28/501004128.db2.gz HLMIESGJRDEJON-UHFFFAOYSA-N -1 3 363.870 3.138 20 0 FGADHM CCc1ccnc(C[N-]S(=O)(=O)c2cc(Br)ccc2F)c1 ZINC000435628852 501004376 /nfs/dbraw/zinc/00/43/76/501004376.db2.gz VWDXGOQIDQFIEA-UHFFFAOYSA-N -1 3 373.247 3.024 20 0 FGADHM Cc1cc(C)c(-c2cc(=NC(=O)COc3ccc(O)cc3)[nH][n-]2)cc1C ZINC000435674532 501009529 /nfs/dbraw/zinc/00/95/29/501009529.db2.gz GXXVWFGHGGEYMW-UHFFFAOYSA-N -1 3 351.406 3.147 20 0 FGADHM Cc1cccc(O[C@@H]2CCCC[C@H]2NC(=O)c2ccc3n[n-]nc3c2)c1 ZINC000435724206 501017785 /nfs/dbraw/zinc/01/77/85/501017785.db2.gz WSWVUGYUIHYXSW-IEBWSBKVSA-N -1 3 350.422 3.386 20 0 FGADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1 ZINC000435731032 501019817 /nfs/dbraw/zinc/01/98/17/501019817.db2.gz HOYKOBVSGWSCGS-XHDPSFHLSA-N -1 3 373.771 3.040 20 0 FGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]CC2(N(C)C)CCC2)c1Cl ZINC000445744765 501027262 /nfs/dbraw/zinc/02/72/62/501027262.db2.gz WSRDSPIFSBLTKB-UHFFFAOYSA-N -1 3 351.299 3.064 20 0 FGADHM CCCc1ncc(CNCc2cc(Br)c([O-])c(OC)c2)o1 ZINC000449612627 501044027 /nfs/dbraw/zinc/04/40/27/501044027.db2.gz NNFGVEDATWLPOU-UHFFFAOYSA-N -1 3 355.232 3.394 20 0 FGADHM O=c1[nH]c(CC(F)(F)F)c([O-])n1-c1ccc(Oc2ccccn2)cc1 ZINC000445982626 501058803 /nfs/dbraw/zinc/05/88/03/501058803.db2.gz VUCRHJDKHDAFFS-LBPRGKRZSA-N -1 3 351.284 3.251 20 0 FGADHM O=C(c1ccc(C(=O)N2CCCC[C@H]2CCO)cc1)c1cccc([O-])c1 ZINC000436094949 501069299 /nfs/dbraw/zinc/06/92/99/501069299.db2.gz YFTYOPXTVFOWMY-SFHVURJKSA-N -1 3 353.418 3.000 20 0 FGADHM CC(C)[C@@H](C(=O)Nc1ccc([O-])c(C(F)(F)F)c1)N1C[C@@H](C)O[C@H](C)C1 ZINC000440990544 501072488 /nfs/dbraw/zinc/07/24/88/501072488.db2.gz WEFAPJRPRFNLQH-HSMVNMDESA-N -1 3 374.403 3.483 20 0 FGADHM COC(=O)c1cccc(F)c1[N-]C(=O)c1cnc([C@H]2CCCO2)s1 ZINC000446107636 501075514 /nfs/dbraw/zinc/07/55/14/501075514.db2.gz IGSFFCNDFMLGNW-LLVKDONJSA-N -1 3 350.371 3.173 20 0 FGADHM Cc1ccc(-n2cnnc2)c(C(=O)Nc2cc(Br)ccc2[O-])c1 ZINC000436153343 501079773 /nfs/dbraw/zinc/07/97/73/501079773.db2.gz XUWDPSUGOLMMLO-UHFFFAOYSA-N -1 3 373.210 3.296 20 0 FGADHM C[C@@H](C(=O)N=c1cc(-c2ccccc2)[n-][nH]1)[C@@H]1OCCc2sccc21 ZINC000449811370 501093701 /nfs/dbraw/zinc/09/37/01/501093701.db2.gz QIXGQRLFKCBRLV-XIKOKIGWSA-N -1 3 353.447 3.449 20 0 FGADHM CCOC(=O)c1cc(C(=O)[N-]c2nc3cc(Cl)ccc3n2CC)on1 ZINC000450373996 501103667 /nfs/dbraw/zinc/10/36/67/501103667.db2.gz DPFMLEQMIMXVDA-UHFFFAOYSA-N -1 3 362.773 3.127 20 0 FGADHM CCOc1nc2cc(C(=O)N(C)CCc3ccccc3OC)ccc2[n-]1 ZINC000449846425 501105629 /nfs/dbraw/zinc/10/56/29/501105629.db2.gz YHDWMQAARVTIOD-UHFFFAOYSA-N -1 3 353.422 3.285 20 0 FGADHM CCOc1nc2ccc(C(=O)N(C)CCc3ccccc3OC)cc2[n-]1 ZINC000449846425 501105632 /nfs/dbraw/zinc/10/56/32/501105632.db2.gz YHDWMQAARVTIOD-UHFFFAOYSA-N -1 3 353.422 3.285 20 0 FGADHM CCOC(=O)c1ccsc1[N-]C(=O)C(=O)Nc1cccc(SC)c1 ZINC000446350901 501109021 /nfs/dbraw/zinc/10/90/21/501109021.db2.gz JBDHBGYLGIGNTH-UHFFFAOYSA-N -1 3 364.448 3.224 20 0 FGADHM Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NC(=O)Cc1ccc([O-])c(F)c1 ZINC000450472009 501129252 /nfs/dbraw/zinc/12/92/52/501129252.db2.gz WBPUIXXYEMOEAP-VIFPVBQESA-N -1 3 373.350 3.327 20 0 FGADHM O=C(c1cc2ccccc2cc1[O-])N1CCN[C@@H](c2cccc(F)c2)C1 ZINC000436501426 501141053 /nfs/dbraw/zinc/14/10/53/501141053.db2.gz FQDALUSIWSQJGU-LJQANCHMSA-N -1 3 350.393 3.471 20 0 FGADHM COC(=O)c1ccc([O-])c(NC(=O)c2ccc(CN3CCCCC3)cc2)c1 ZINC000436504250 501141468 /nfs/dbraw/zinc/14/14/68/501141468.db2.gz KJMZJBHCDTXTIT-UHFFFAOYSA-N -1 3 368.433 3.417 20 0 FGADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2F)cc1F ZINC000446625701 501144052 /nfs/dbraw/zinc/14/40/52/501144052.db2.gz SNAUNTWJRNNWDC-UHFFFAOYSA-N -1 3 361.753 3.206 20 0 FGADHM COc1ccc(C(=O)NCCOc2cccc(C(F)(F)F)c2)c([O-])c1 ZINC000436521873 501147016 /nfs/dbraw/zinc/14/70/16/501147016.db2.gz PJSNUYMNGBJEAR-UHFFFAOYSA-N -1 3 355.312 3.228 20 0 FGADHM C[C@H](CNC(=O)c1cc(Oc2ccccc2)ccc1[O-])Cn1ccnc1 ZINC000436535434 501149806 /nfs/dbraw/zinc/14/98/06/501149806.db2.gz KNBNEFCNCHTSRS-OAHLLOKOSA-N -1 3 351.406 3.447 20 0 FGADHM CS[C@H]1CN(C(=O)c2cc3ccccc3cc2[O-])C[C@@H]1N1CCCC1 ZINC000436535858 501149884 /nfs/dbraw/zinc/14/98/84/501149884.db2.gz PCBYDHNYVMEOOJ-HKUYNNGSSA-N -1 3 356.491 3.197 20 0 FGADHM C[C@@H](NC(=O)c1cc(OCc2ccccc2)ccc1[O-])C(=O)NC(C)(C)C ZINC000436538198 501150982 /nfs/dbraw/zinc/15/09/82/501150982.db2.gz HEXHQZXPQJMMLW-CQSZACIVSA-N -1 3 370.449 3.004 20 0 FGADHM CCOC(=O)CN(C(=O)c1cc(CCc2ccccc2)ccc1[O-])C1CC1 ZINC000436546056 501153400 /nfs/dbraw/zinc/15/34/00/501153400.db2.gz FFVFDNMILMFBAI-UHFFFAOYSA-N -1 3 367.445 3.345 20 0 FGADHM COC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436548019 501153679 /nfs/dbraw/zinc/15/36/79/501153679.db2.gz LDPBCLXQTMXFMD-LJQANCHMSA-N -1 3 365.429 3.011 20 0 FGADHM CCCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)c2cc3c(cc2[O-])CCCC3)C1 ZINC000436547810 501153763 /nfs/dbraw/zinc/15/37/63/501153763.db2.gz BAKXFLUMSVYQOE-CRAIPNDOSA-N -1 3 372.509 3.428 20 0 FGADHM O=C(NCCc1csc(N2CCCC2)n1)c1cc2c(cc1[O-])CCCC2 ZINC000436550760 501155336 /nfs/dbraw/zinc/15/53/36/501155336.db2.gz UJHYWAPTAGRKMQ-UHFFFAOYSA-N -1 3 371.506 3.300 20 0 FGADHM CCOCCOCc1cccc(CNC(=O)c2ccc(C(C)=O)c([O-])c2)c1 ZINC000436566820 501158406 /nfs/dbraw/zinc/15/84/06/501158406.db2.gz MXDDYAFEABZETG-UHFFFAOYSA-N -1 3 371.433 3.078 20 0 FGADHM CC(C)c1ccc(C(=O)N[C@@](C)(C(N)=O)c2cccc(Cl)c2)c([O-])c1 ZINC000436571119 501159630 /nfs/dbraw/zinc/15/96/30/501159630.db2.gz ABQQWHSLJANDOI-LJQANCHMSA-N -1 3 360.841 3.300 20 0 FGADHM COc1ccc(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)cc2)c([O-])c1 ZINC000436578659 501161276 /nfs/dbraw/zinc/16/12/76/501161276.db2.gz ASNCJQIQEOFFPG-SJLPKXTDSA-N -1 3 360.841 3.229 20 0 FGADHM O=C(NCCCO[C@H]1CCOC1)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436582424 501162480 /nfs/dbraw/zinc/16/24/80/501162480.db2.gz IDAOJFXTISDHKM-IBGZPJMESA-N -1 3 369.461 3.103 20 0 FGADHM Cc1nn(C)c(C)c1[C@H](NC(=O)c1ccc(C)c(C)c1[O-])C(F)(F)F ZINC000436586527 501164044 /nfs/dbraw/zinc/16/40/44/501164044.db2.gz MNZXHVBNAXZWSR-HNNXBMFYSA-N -1 3 355.360 3.393 20 0 FGADHM COc1ccc(C(=O)N[C@H](C(=O)OC(C)(C)C)c2ccccc2)c([O-])c1 ZINC000436593220 501165564 /nfs/dbraw/zinc/16/55/64/501165564.db2.gz CVEQXGAMNIPCMG-KRWDZBQOSA-N -1 3 357.406 3.214 20 0 FGADHM CC[C@@H](C)n1ncc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])c1C ZINC000436596691 501166631 /nfs/dbraw/zinc/16/66/31/501166631.db2.gz ROBYFDCABYQXNV-CXAGYDPISA-N -1 3 370.453 3.111 20 0 FGADHM O=C(N[C@@H]1CCO[C@H]1C1CC1)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436609739 501169069 /nfs/dbraw/zinc/16/90/69/501169069.db2.gz WCXSXEMWNJOTKB-QUCCMNQESA-N -1 3 353.418 3.269 20 0 FGADHM CCc1ccc(C(=O)N2CC[C@@H](C(=O)N(C)c3ccccc3)C2)c([O-])c1 ZINC000436614721 501169796 /nfs/dbraw/zinc/16/97/96/501169796.db2.gz APGMRFIOVAQXPY-MRXNPFEDSA-N -1 3 352.434 3.080 20 0 FGADHM CCCS(=O)(=O)Nc1ccc(NC(=O)c2ccc([O-])c(CC)c2)cc1 ZINC000436616415 501170939 /nfs/dbraw/zinc/17/09/39/501170939.db2.gz JWGLGVATJTWWEW-UHFFFAOYSA-N -1 3 362.451 3.359 20 0 FGADHM [O-]c1ccc(-c2noc(-c3ccnc(-n4cncn4)c3)n2)c2ccccc12 ZINC000436620611 501171081 /nfs/dbraw/zinc/17/10/81/501171081.db2.gz WECMSENKEMVNHX-UHFFFAOYSA-N -1 3 356.345 3.238 20 0 FGADHM C[C@H]1C[C@H](NC(=O)c2cc(Br)cc(Cl)c2[O-])CN1C1CC1 ZINC000441786542 501171475 /nfs/dbraw/zinc/17/14/75/501171475.db2.gz JUMMSNDQSHMMAU-WPRPVWTQSA-N -1 3 373.678 3.163 20 0 FGADHM CC(=O)c1ccc(C(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)cc1[O-] ZINC000436624095 501171890 /nfs/dbraw/zinc/17/18/90/501171890.db2.gz KEHYCOAYJRQJFN-HXUWFJFHSA-N -1 3 366.461 3.470 20 0 FGADHM CC(=O)c1ccc(C(=O)Nc2cccc(CN3CCSCC3)c2)cc1[O-] ZINC000436624602 501171971 /nfs/dbraw/zinc/17/19/71/501171971.db2.gz LYPZFWSHUSARSM-UHFFFAOYSA-N -1 3 370.474 3.396 20 0 FGADHM CC[C@@H]1CN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C[C@@H](C)[S@]1=O ZINC000436621335 501172073 /nfs/dbraw/zinc/17/20/73/501172073.db2.gz BFMKRCIEQVIDGA-FDJUKIRMSA-N -1 3 371.502 3.355 20 0 FGADHM CC(C)c1nn(-c2ccccc2)cc1CNC(=O)c1ccc(O)cc1[O-] ZINC000436630035 501173995 /nfs/dbraw/zinc/17/39/95/501173995.db2.gz LNEADYWSLJTWFK-UHFFFAOYSA-N -1 3 351.406 3.337 20 0 FGADHM O=C(N[C@H]1CCN(c2ccccn2)C1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436636232 501175292 /nfs/dbraw/zinc/17/52/92/501175292.db2.gz QGHZYOMKBHOKAA-IBGZPJMESA-N -1 3 373.456 3.387 20 0 FGADHM CCc1ccc(-c2noc([C@@H](C)NC(=O)c3c([O-])cccc3O)n2)cc1 ZINC000436645123 501176942 /nfs/dbraw/zinc/17/69/42/501176942.db2.gz ATZAOQTXWCCWDL-LLVKDONJSA-N -1 3 353.378 3.201 20 0 FGADHM C[C@@H](Cc1ccccc1Br)NC(=O)c1c([O-])cccc1O ZINC000436647886 501178224 /nfs/dbraw/zinc/17/82/24/501178224.db2.gz NLWQKXXUEFQSJC-JTQLQIEISA-N -1 3 350.212 3.221 20 0 FGADHM CC[C@@H](NC(=O)c1ccccc1[O-])[C@H](c1ccc(C)cc1)n1cncn1 ZINC000436646157 501178243 /nfs/dbraw/zinc/17/82/43/501178243.db2.gz GEALPQIXGPHGAF-MJGOQNOKSA-N -1 3 350.422 3.090 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N(Cc2ccc(F)cc2)C2CC2)c([O-])c1 ZINC000436669020 501183577 /nfs/dbraw/zinc/18/35/77/501183577.db2.gz ZBAQRYVBBIMSKV-UHFFFAOYSA-N -1 3 370.424 3.151 20 0 FGADHM O=C(NCC1CCN(Cc2ccccc2Cl)CC1)c1ccc(O)cc1[O-] ZINC000436667561 501183583 /nfs/dbraw/zinc/18/35/83/501183583.db2.gz ZEFXAQTVZXIMTB-UHFFFAOYSA-N -1 3 374.868 3.393 20 0 FGADHM CC(=O)c1ccc(C(=O)N[C@@H](C)c2ccc(Br)cn2)cc1[O-] ZINC000436682164 501186846 /nfs/dbraw/zinc/18/68/46/501186846.db2.gz PKHLKFUQPXBHMD-VIFPVBQESA-N -1 3 363.211 3.243 20 0 FGADHM COC(=O)CCc1ccc(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)cc1 ZINC000436682391 501186959 /nfs/dbraw/zinc/18/69/59/501186959.db2.gz VGUFDZLOUCDWAE-UHFFFAOYSA-N -1 3 369.417 3.464 20 0 FGADHM O=C(NCCNC(=O)c1ccc([O-])cc1)Nc1cccc(C2CCC2)c1 ZINC000436683723 501187522 /nfs/dbraw/zinc/18/75/22/501187522.db2.gz VEEQJMFSMNTIEA-UHFFFAOYSA-N -1 3 353.422 3.211 20 0 FGADHM COc1ccc(CN(C)C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)c(OC)c1 ZINC000436684313 501187812 /nfs/dbraw/zinc/18/78/12/501187812.db2.gz YLLSXJHUHMMYFN-UHFFFAOYSA-N -1 3 371.433 3.395 20 0 FGADHM [O-]c1ccc(-c2noc(-c3cncc(I)c3)n2)cc1 ZINC000436688693 501188461 /nfs/dbraw/zinc/18/84/61/501188461.db2.gz UZMCZPKQMIUCLF-UHFFFAOYSA-N -1 3 365.130 3.109 20 0 FGADHM Cc1ccc(C(=O)NCCc2nc(-c3cc(F)cc(F)c3)no2)c([O-])c1 ZINC000436688057 501188857 /nfs/dbraw/zinc/18/88/57/501188857.db2.gz KHDMLLZHESIFTG-UHFFFAOYSA-N -1 3 359.332 3.001 20 0 FGADHM C[C@@H]1CCCC[C@@H]1CCNC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436686266 501188964 /nfs/dbraw/zinc/18/89/64/501188964.db2.gz NMLDKDDJIYNCOU-IAGOWNOFSA-N -1 3 373.497 3.076 20 0 FGADHM CCOC(=O)CN(Cc1ccc(F)cc1)C(=O)c1ccc([O-])c(CC)c1 ZINC000436691366 501189567 /nfs/dbraw/zinc/18/95/67/501189567.db2.gz UFFWPBXVYIOPOB-UHFFFAOYSA-N -1 3 359.397 3.299 20 0 FGADHM O=C(NCc1cc(F)cc2c1OCOC2)c1cc2c(cc1[O-])CCCC2 ZINC000436726103 501198161 /nfs/dbraw/zinc/19/81/61/501198161.db2.gz SVTKFFHIJUYYGN-UHFFFAOYSA-N -1 3 357.381 3.207 20 0 FGADHM C[C@H](NCC[N-]S(=O)(=O)c1ccc(F)cc1F)c1cccc(Cl)c1 ZINC000442120770 501198591 /nfs/dbraw/zinc/19/85/91/501198591.db2.gz HPGTWBMJVYXQPB-NSHDSACASA-N -1 3 374.840 3.247 20 0 FGADHM CC(C)c1ccc(C(=O)NCc2ccncc2OC[C@H]2CCOC2)c([O-])c1 ZINC000436737126 501200343 /nfs/dbraw/zinc/20/03/43/501200343.db2.gz IJAWKDZMVONDPK-HNNXBMFYSA-N -1 3 370.449 3.256 20 0 FGADHM O=C(NCCCCC1CCCC1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436740570 501201745 /nfs/dbraw/zinc/20/17/45/501201745.db2.gz QUZRGRHAFLNBKN-UHFFFAOYSA-N -1 3 373.497 3.220 20 0 FGADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](C)CCOCc2ccccc2)c1 ZINC000436743688 501202509 /nfs/dbraw/zinc/20/25/09/501202509.db2.gz ZFOHSRZLWAQSGB-CQSZACIVSA-N -1 3 356.422 3.076 20 0 FGADHM CCOc1ccccc1N1CCN(C(=O)c2cc(CC)ccc2[O-])CC1 ZINC000436754426 501204803 /nfs/dbraw/zinc/20/48/03/501204803.db2.gz HHPNECWZCZALAA-UHFFFAOYSA-N -1 3 354.450 3.316 20 0 FGADHM COc1ccc([C@@H](CNC(=O)c2cc(F)ccc2[O-])N2CCCC2)cc1 ZINC000436754160 501205366 /nfs/dbraw/zinc/20/53/66/501205366.db2.gz HQAUEURPQDAHTK-GOSISDBHSA-N -1 3 358.413 3.107 20 0 FGADHM C[C@H](CNC(=O)c1cc(Br)ccc1[O-])N1CCC[C@@H](C)C1 ZINC000436764048 501207428 /nfs/dbraw/zinc/20/74/28/501207428.db2.gz JNFDEDRZDXDAIM-VXGBXAGGSA-N -1 3 355.276 3.005 20 0 FGADHM C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc(Br)cc(Cl)c1[O-] ZINC000436768782 501208691 /nfs/dbraw/zinc/20/86/91/501208691.db2.gz GOHGCGOHVUIOLO-OQPBUACISA-N -1 3 373.678 3.021 20 0 FGADHM COC(=O)[C@H](NC(=O)c1ccc(OC)cc1[O-])c1ccc2ccccc2c1 ZINC000436789142 501212078 /nfs/dbraw/zinc/21/20/78/501212078.db2.gz CQCDPFOJVYUUFI-LJQANCHMSA-N -1 3 365.385 3.198 20 0 FGADHM CCOc1c(Cl)cc(CNC(=O)c2cccc(OC)c2[O-])cc1OC ZINC000436799736 501213181 /nfs/dbraw/zinc/21/31/81/501213181.db2.gz ZHHJFRUYPVBBHO-UHFFFAOYSA-N -1 3 365.813 3.392 20 0 FGADHM O=C1[N-][C@](c2ccccc2)(C(F)(F)F)C(=O)N1C[C@@H]1CCCC1(F)F ZINC000450816825 501213294 /nfs/dbraw/zinc/21/32/94/501213294.db2.gz BYRNUKQAWYMJMD-NHYWBVRUSA-N -1 3 362.298 3.431 20 0 FGADHM C[C@H]1CN(CCCCNC(=O)c2ccc(C(F)(F)F)cc2[O-])C[C@H](C)O1 ZINC000436810772 501214733 /nfs/dbraw/zinc/21/47/33/501214733.db2.gz YCQKWMDFWZZULV-STQMWFEESA-N -1 3 374.403 3.030 20 0 FGADHM CCN(C)C(=O)c1cccc(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)c1 ZINC000436810517 501214969 /nfs/dbraw/zinc/21/49/69/501214969.db2.gz SBOYXMKRVHXFLR-UHFFFAOYSA-N -1 3 368.433 3.450 20 0 FGADHM CCOC(=O)CN(Cc1ccc(F)cc1)C(=O)c1ccc(CC)cc1[O-] ZINC000436823887 501216680 /nfs/dbraw/zinc/21/66/80/501216680.db2.gz DOCVSDDHXHFKGI-UHFFFAOYSA-N -1 3 359.397 3.299 20 0 FGADHM COCCN(C(=O)c1cc(Cc2ccccc2)ccc1[O-])[C@@H]1CCO[C@@H]1C ZINC000436823988 501217009 /nfs/dbraw/zinc/21/70/09/501217009.db2.gz YDOLQSAVPVZCTI-OXQOHEQNSA-N -1 3 369.461 3.249 20 0 FGADHM CCc1ccc(C(=O)N(Cc2ccccc2)C[C@@H](C)C(=O)OC)c([O-])c1 ZINC000436825158 501217429 /nfs/dbraw/zinc/21/74/29/501217429.db2.gz JPJGDKCJVGTIBZ-OAHLLOKOSA-N -1 3 355.434 3.406 20 0 FGADHM COCCN(C(=O)c1cc(Oc2ccccc2)ccc1[O-])[C@H]1CCOC1 ZINC000436831813 501218620 /nfs/dbraw/zinc/21/86/20/501218620.db2.gz GOFSCBDTTLADES-HNNXBMFYSA-N -1 3 357.406 3.062 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)NC[C@H](c2ccccc2)C2CC2)c([O-])c1 ZINC000436835955 501219074 /nfs/dbraw/zinc/21/90/74/501219074.db2.gz BYWLGPPGRWPGIB-LJQANCHMSA-N -1 3 366.461 3.131 20 0 FGADHM Cc1cc(C(=O)Nc2ccc(-n3nnnc3C(C)C)c(C)c2)ccc1[O-] ZINC000436837555 501219099 /nfs/dbraw/zinc/21/90/99/501219099.db2.gz PHOILVULXCICSS-UHFFFAOYSA-N -1 3 351.410 3.360 20 0 FGADHM CC(=O)c1ccc(C(=O)NC[C@H](c2cccs2)N2CCCC2)cc1[O-] ZINC000436850577 501221337 /nfs/dbraw/zinc/22/13/37/501221337.db2.gz IGEHRUOYOLJVCZ-MRXNPFEDSA-N -1 3 358.463 3.223 20 0 FGADHM CC(C)c1ccc(C(=O)NC[C@H](Cc2ccccc2Cl)C(N)=O)c([O-])c1 ZINC000436873766 501225580 /nfs/dbraw/zinc/22/55/80/501225580.db2.gz XQINBBFVQZGIQN-HNNXBMFYSA-N -1 3 374.868 3.243 20 0 FGADHM O=c1[n-]nc([C@H]2CCCN(CCOc3ccccc3C(F)(F)F)C2)o1 ZINC000450897305 501225689 /nfs/dbraw/zinc/22/56/89/501225689.db2.gz QYEQEQVORQRGFT-NSHDSACASA-N -1 3 357.332 3.052 20 0 FGADHM COc1cc(-c2noc(-c3cn(-c4cc(C)cc(F)c4)nn3)n2)ccc1[O-] ZINC000436875134 501225701 /nfs/dbraw/zinc/22/57/01/501225701.db2.gz WOIPSRABUOJJMO-UHFFFAOYSA-N -1 3 367.340 3.146 20 0 FGADHM COc1cc(-c2noc(-c3ccc(OCC(F)(F)F)cn3)n2)ccc1[O-] ZINC000436874782 501225757 /nfs/dbraw/zinc/22/57/57/501225757.db2.gz VOINPZJWVXEVCZ-UHFFFAOYSA-N -1 3 367.283 3.454 20 0 FGADHM COC(=O)[C@@H](NC(=O)c1cc(C)ccc1[O-])c1ccc(OC)c(Cl)c1 ZINC000436880988 501226597 /nfs/dbraw/zinc/22/65/97/501226597.db2.gz UWICSDXGHJTGLX-INIZCTEOSA-N -1 3 363.797 3.007 20 0 FGADHM Cc1ccc(Br)cc1CN1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000450901218 501227009 /nfs/dbraw/zinc/22/70/09/501227009.db2.gz HVDCDAMIWMCCRN-NSHDSACASA-N -1 3 352.232 3.226 20 0 FGADHM O=C(Cc1noc(-c2cc3c(cc2[O-])CCCC3)n1)NCc1ccccc1 ZINC000436890396 501227710 /nfs/dbraw/zinc/22/77/10/501227710.db2.gz ZZLRNTXPGWSDGX-UHFFFAOYSA-N -1 3 363.417 3.180 20 0 FGADHM CCOC(=O)c1csc(=NCCCc2nc3c(s2)CCCC3)[n-]1 ZINC000450299209 501228607 /nfs/dbraw/zinc/22/86/07/501228607.db2.gz APBDVYGXEDYDRD-UHFFFAOYSA-N -1 3 351.497 3.122 20 0 FGADHM NC(=O)Nc1ccc(-c2noc(-c3ccc4c(c3[O-])CCCC4)n2)cc1 ZINC000436893983 501228621 /nfs/dbraw/zinc/22/86/21/501228621.db2.gz PXOJHHDXSQBRIO-UHFFFAOYSA-N -1 3 350.378 3.479 20 0 FGADHM Cc1cc(C(=O)N[C@@H](c2nc(-c3cccnc3)no2)C(C)C)ccc1[O-] ZINC000436902907 501230290 /nfs/dbraw/zinc/23/02/90/501230290.db2.gz LDBWNWDOMDFFFI-MRXNPFEDSA-N -1 3 352.394 3.273 20 0 FGADHM COc1cccc(C(=O)N[C@H](C)c2ccc(-n3cccn3)c(F)c2)c1[O-] ZINC000436910114 501231582 /nfs/dbraw/zinc/23/15/82/501231582.db2.gz QEMCQTBENJWLAE-GFCCVEGCSA-N -1 3 355.369 3.217 20 0 FGADHM Cc1ccc(-c2nc(-c3ccc(Cn4cncn4)c(F)c3)no2)c([O-])c1 ZINC000436916672 501232212 /nfs/dbraw/zinc/23/22/12/501232212.db2.gz ARUDDZPCGVMJEP-UHFFFAOYSA-N -1 3 351.341 3.197 20 0 FGADHM CCOc1cc([N-]S(=O)(=O)C[C@H](OC)c2ccccc2)ccc1OC ZINC000450987771 501237165 /nfs/dbraw/zinc/23/71/65/501237165.db2.gz MMWUCGMSSBZBAK-SFHVURJKSA-N -1 3 365.451 3.223 20 0 FGADHM COC(=O)[C@H]1C[C@H](C)CCN1C(=O)CCc1ccc2ccccc2c1[O-] ZINC000451005481 501238541 /nfs/dbraw/zinc/23/85/41/501238541.db2.gz XLIBOVVXXQDWMI-RDTXWAMCSA-N -1 3 355.434 3.278 20 0 FGADHM CO[C@@H](C)CS(=O)(=O)[N-]c1ccc(N2CCCCC2)c2ncccc12 ZINC000451018646 501239352 /nfs/dbraw/zinc/23/93/52/501239352.db2.gz RZMXRXWVQUFXKF-AWEZNQCLSA-N -1 3 363.483 3.002 20 0 FGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)C1(C(F)(F)F)CCC1 ZINC000451123102 501246968 /nfs/dbraw/zinc/24/69/68/501246968.db2.gz CAPSGOZBPPRSPS-UHFFFAOYSA-N -1 3 362.149 3.190 20 0 FGADHM CCOc1ccncc1S(=O)(=O)[N-][C@@H](C)c1nc(C(C)(C)C)cs1 ZINC000451172805 501249991 /nfs/dbraw/zinc/24/99/91/501249991.db2.gz SPKQWLMSRXBPFB-NSHDSACASA-N -1 3 369.512 3.274 20 0 FGADHM COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)CCc1ccc2ccccc2c1[O-] ZINC000451262881 501255995 /nfs/dbraw/zinc/25/59/95/501255995.db2.gz PSIBFMOBNUXDDX-QKLQHJQFSA-N -1 3 367.445 3.278 20 0 FGADHM CC[C@@H]([N-]S(=O)(=O)c1ccc2ccccc2c1F)C1CCOCC1 ZINC000451268431 501256632 /nfs/dbraw/zinc/25/66/32/501256632.db2.gz DSYHKDDTVMEOLR-MRXNPFEDSA-N -1 3 351.443 3.462 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)c1ccc2ccccc2c1F)C1CCOCC1 ZINC000451268430 501256650 /nfs/dbraw/zinc/25/66/50/501256650.db2.gz DSYHKDDTVMEOLR-INIZCTEOSA-N -1 3 351.443 3.462 20 0 FGADHM Cc1csc(S(=O)(=O)[N-]C[C@@H]2C[C@H](F)CN2Cc2cccs2)c1 ZINC000451526412 501313121 /nfs/dbraw/zinc/31/31/21/501313121.db2.gz CJJJSQBWUWKIGD-STQMWFEESA-N -1 3 374.528 3.009 20 0 FGADHM CC(C)[C@@H]([N-]S(=O)(=O)c1cc(Cl)sc1Cl)c1ncc[nH]1 ZINC000451549185 501320174 /nfs/dbraw/zinc/32/01/74/501320174.db2.gz PCJHBQDPDBCAJH-SECBINFHSA-N -1 3 354.284 3.454 20 0 FGADHM CCCc1nc(C)c(C[N-]S(=O)(=O)Cc2c(F)cccc2Cl)o1 ZINC000451577095 501329023 /nfs/dbraw/zinc/32/90/23/501329023.db2.gz ZMBWLQLKWJDXGJ-UHFFFAOYSA-N -1 3 360.838 3.348 20 0 FGADHM CCOc1nc2cc(C(=O)N[C@H](C)CCCc3cccnc3)ccc2[n-]1 ZINC000457957714 501344355 /nfs/dbraw/zinc/34/43/55/501344355.db2.gz ZCEQUPVULZRTEV-CQSZACIVSA-N -1 3 352.438 3.498 20 0 FGADHM CCOc1nc2ccc(C(=O)N[C@H](C)CCCc3cccnc3)cc2[n-]1 ZINC000457957714 501344356 /nfs/dbraw/zinc/34/43/56/501344356.db2.gz ZCEQUPVULZRTEV-CQSZACIVSA-N -1 3 352.438 3.498 20 0 FGADHM O=c1[n-]c(CN2CC[C@@H]3C[C@H](O)CC[C@H]3C2)nc2c3ccccc3oc21 ZINC000451695968 501353227 /nfs/dbraw/zinc/35/32/27/501353227.db2.gz OKFQGIJWDWFKNF-HZSPNIEDSA-N -1 3 353.422 3.065 20 0 FGADHM CC[C@H](C)N(CC(=O)[O-])Cc1cc2c(cc1Br)OCCCO2 ZINC000455642088 501354439 /nfs/dbraw/zinc/35/44/39/501354439.db2.gz LULIEDDNFQAKKH-NSHDSACASA-N -1 3 372.259 3.296 20 0 FGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]2CCO[C@@H](C(C)C)C2)c1 ZINC000451813514 501377893 /nfs/dbraw/zinc/37/78/93/501377893.db2.gz DZPWAZQVOZJNKT-IUODEOHRSA-N -1 3 361.891 3.078 20 0 FGADHM CCCc1ncc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C)o1 ZINC000451957232 501407750 /nfs/dbraw/zinc/40/77/50/501407750.db2.gz JLIUHYMAALNKAP-UHFFFAOYSA-N -1 3 362.373 3.433 20 0 FGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@@]2(C)CC=CCC2)c1 ZINC000458336439 501422594 /nfs/dbraw/zinc/42/25/94/501422594.db2.gz MAPQUCWTBXVHSJ-IBGZPJMESA-N -1 3 355.394 3.170 20 0 FGADHM Cc1ccccc1CCN(C)C(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000452338047 501481187 /nfs/dbraw/zinc/48/11/87/501481187.db2.gz ZBTUDHUEOQNXDN-LJQANCHMSA-N -1 3 366.461 3.006 20 0 FGADHM O=C(c1c[n-]c2ccc(Br)cc2c1=O)N1CCC(CF)CC1 ZINC000452596502 501529942 /nfs/dbraw/zinc/52/99/42/501529942.db2.gz YHNOLTOKDUIGQV-UHFFFAOYSA-N -1 3 367.218 3.112 20 0 FGADHM COC(=O)[C@@H]1CN(C(=O)c2cc([O-])ccc2Cl)C[C@H]1c1ccccc1 ZINC000456948092 501624431 /nfs/dbraw/zinc/62/44/31/501624431.db2.gz MNGHEINLDWQPJK-JKSUJKDBSA-N -1 3 359.809 3.074 20 0 FGADHM COc1ccc([C@@H]2CCCN2Cc2cc(=O)[n-]c(C3CC3)n2)cc1OC ZINC000459287035 501625435 /nfs/dbraw/zinc/62/54/35/501625435.db2.gz DMNMQDVPQHZUSK-INIZCTEOSA-N -1 3 355.438 3.414 20 0 FGADHM O=c1cc(CN(Cc2cccc(F)c2)C[C@H]2CCCO2)nc(C2CC2)[n-]1 ZINC000459327758 501631801 /nfs/dbraw/zinc/63/18/01/501631801.db2.gz PHWDMLZQZXKRFC-GOSISDBHSA-N -1 3 357.429 3.380 20 0 FGADHM C[C@H](NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])[C@@H]1CCC[C@@H](C)C1 ZINC000457004361 501633631 /nfs/dbraw/zinc/63/36/31/501633631.db2.gz OFDJYPTUQUREIE-KYHPRHEASA-N -1 3 358.482 3.328 20 0 FGADHM C[C@@H]1CN(Cc2cccc([O-])c2Br)CCN1CC(F)(F)F ZINC000459371724 501641553 /nfs/dbraw/zinc/64/15/53/501641553.db2.gz YRGQAGMTSYLPLM-SNVBAGLBSA-N -1 3 367.209 3.223 20 0 FGADHM CC[C@H](c1ccccc1)N(CC(=O)OC)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000459373712 501641987 /nfs/dbraw/zinc/64/19/87/501641987.db2.gz WIHDYTUQNNSKSE-QGZVFWFLSA-N -1 3 355.438 3.186 20 0 FGADHM CCOc1cc(CN[C@H]2CCN(Cc3ccccc3)C2=O)cc(Cl)c1[O-] ZINC000459391858 501645346 /nfs/dbraw/zinc/64/53/46/501645346.db2.gz RYTXCUHTKUPCIP-KRWDZBQOSA-N -1 3 374.868 3.335 20 0 FGADHM CCOc1cc(CN[C@@H](C)c2nnnn2-c2ccccc2)cc(Cl)c1[O-] ZINC000459410827 501649124 /nfs/dbraw/zinc/64/91/24/501649124.db2.gz LDVGEFSOFLFUHH-LBPRGKRZSA-N -1 3 373.844 3.271 20 0 FGADHM CC(C)(C)OC(=O)[C@@]12CCC[C@H]1CN(Cc1cc(=O)[n-]c(C3CC3)n1)C2 ZINC000459438482 501654210 /nfs/dbraw/zinc/65/42/10/501654210.db2.gz UCUFRHZDEUKEGF-VBKZILBWSA-N -1 3 359.470 3.003 20 0 FGADHM CCOc1cc(CN2CCC[C@@H](CCNC(C)=O)C2)cc(Cl)c1[O-] ZINC000459554780 501675462 /nfs/dbraw/zinc/67/54/62/501675462.db2.gz AWJKIVNBWRMPTG-AWEZNQCLSA-N -1 3 354.878 3.183 20 0 FGADHM CCOc1cc(CNCc2cnc(CC)o2)cc(Br)c1[O-] ZINC000459566121 501678187 /nfs/dbraw/zinc/67/81/87/501678187.db2.gz HDYVDZNGNYHVPU-UHFFFAOYSA-N -1 3 355.232 3.394 20 0 FGADHM CCOc1cc(CNc2ccc(CCO)nc2)cc(Br)c1[O-] ZINC000459569269 501678588 /nfs/dbraw/zinc/67/85/88/501678588.db2.gz MNEDHTMBNLKHBD-UHFFFAOYSA-N -1 3 367.243 3.095 20 0 FGADHM COC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000474161989 501727465 /nfs/dbraw/zinc/72/74/65/501727465.db2.gz ZYAKENPFGLQVQO-ZDUSSCGKSA-N -1 3 357.834 3.015 20 0 FGADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)[C@H](C)c2cccnc2)[nH][n-]1 ZINC000470562466 501727966 /nfs/dbraw/zinc/72/79/66/501727966.db2.gz IHIFJOJAALOYJJ-LLVKDONJSA-N -1 3 356.813 3.298 20 0 FGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]CCc1cscn1 ZINC000470602675 501739479 /nfs/dbraw/zinc/73/94/79/501739479.db2.gz QHIMVAXSQKUCLF-UHFFFAOYSA-N -1 3 356.856 3.372 20 0 FGADHM CCN1CCC[C@H]([N-]S(=O)(=O)c2oc3ccc(Cl)cc3c2C)C1 ZINC000470600821 501739614 /nfs/dbraw/zinc/73/96/14/501739614.db2.gz JKBHLRSZKKNWTF-ZDUSSCGKSA-N -1 3 356.875 3.157 20 0 FGADHM O=C(Cc1ccc(Br)cc1[O-])NCc1cc(F)ccc1F ZINC000477620968 501740035 /nfs/dbraw/zinc/74/00/35/501740035.db2.gz JOUUJLUDXIUMQQ-UHFFFAOYSA-N -1 3 356.166 3.292 20 0 FGADHM Cc1nc(C)c(CC(=O)NCC(C)(C)c2cccc(Cl)c2F)c(=O)[n-]1 ZINC000470604563 501741197 /nfs/dbraw/zinc/74/11/97/501741197.db2.gz DUUWCURRSSFJFZ-UHFFFAOYSA-N -1 3 365.836 3.228 20 0 FGADHM CCCS(=O)(=O)[N-]c1cc(NC(=O)CCC(F)(F)F)c(F)cc1F ZINC000463537251 501755134 /nfs/dbraw/zinc/75/51/34/501755134.db2.gz TXUBANQFMKZJLA-UHFFFAOYSA-N -1 3 374.331 3.398 20 0 FGADHM Cc1nc(-c2ccccc2NC(=O)c2cnc3c(cnn3C)c2[O-])cs1 ZINC000477687384 501758592 /nfs/dbraw/zinc/75/85/92/501758592.db2.gz CCAMNQKAZRVHBM-UHFFFAOYSA-N -1 3 365.418 3.358 20 0 FGADHM CC(C)(O)COc1ccc([N-]S(=O)(=O)c2ccc3ncccc3c2)cc1 ZINC000485262742 501772758 /nfs/dbraw/zinc/77/27/58/501772758.db2.gz CKUKRAKUSKLBSR-UHFFFAOYSA-N -1 3 372.446 3.185 20 0 FGADHM O=S(=O)([N-]CCc1cccc(OCC(F)(F)F)c1)c1cccs1 ZINC000481471545 501784560 /nfs/dbraw/zinc/78/45/60/501784560.db2.gz AQKQQOLDDNSJKU-UHFFFAOYSA-N -1 3 365.398 3.210 20 0 FGADHM CCC(CC)CS(=O)(=O)[N-][C@H](CO)c1c(Cl)cccc1Cl ZINC000481489066 501789814 /nfs/dbraw/zinc/78/98/14/501789814.db2.gz CQGCQBXPDKQWSW-CYBMUJFWSA-N -1 3 354.299 3.382 20 0 FGADHM COCCC1(NC(=O)c2ccc(C(=O)c3cccc([O-])c3)cc2)CCC1 ZINC000477800955 501790711 /nfs/dbraw/zinc/79/07/11/501790711.db2.gz POAWZZZQXAMEDK-UHFFFAOYSA-N -1 3 353.418 3.312 20 0 FGADHM O=C(Nc1cccc(CO)c1)c1c[n-]c2ccc(Br)cc2c1=O ZINC000485393246 501807023 /nfs/dbraw/zinc/80/70/23/501807023.db2.gz LCMOMSQNPBRXJP-UHFFFAOYSA-N -1 3 373.206 3.035 20 0 FGADHM O=C(Nc1cccc(CO)c1)c1cnc2ccc(Br)cc2c1[O-] ZINC000485393246 501807028 /nfs/dbraw/zinc/80/70/28/501807028.db2.gz LCMOMSQNPBRXJP-UHFFFAOYSA-N -1 3 373.206 3.035 20 0 FGADHM O=S(=O)([N-]C[C@@H]1COc2ccccc2O1)c1ccc(Cl)cc1Cl ZINC000485431714 501819349 /nfs/dbraw/zinc/81/93/49/501819349.db2.gz DCVMORJCOKERLP-LLVKDONJSA-N -1 3 374.245 3.112 20 0 FGADHM COCc1nc(SCC(=O)Nc2ccccc2Oc2ccccc2)n[n-]1 ZINC000474404105 501824366 /nfs/dbraw/zinc/82/43/66/501824366.db2.gz UJNIQTVGTMKLFE-UHFFFAOYSA-N -1 3 370.434 3.474 20 0 FGADHM CC(C)(CC1CCCCCC1)NC(=O)c1cncc([N-]S(C)(=O)=O)c1 ZINC000474412227 501826505 /nfs/dbraw/zinc/82/65/05/501826505.db2.gz MIKLEUNLHXBLEB-UHFFFAOYSA-N -1 3 367.515 3.322 20 0 FGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1ccc(COC(F)(F)F)cc1 ZINC000474413629 501827339 /nfs/dbraw/zinc/82/73/39/501827339.db2.gz JRHBVTLGZKFYBD-UHFFFAOYSA-N -1 3 363.299 3.155 20 0 FGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1ccc(COC(F)(F)F)cc1 ZINC000474413629 501827341 /nfs/dbraw/zinc/82/73/41/501827341.db2.gz JRHBVTLGZKFYBD-UHFFFAOYSA-N -1 3 363.299 3.155 20 0 FGADHM Cc1ccc(-c2ncc[nH]2)cc1NC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000477978560 501844920 /nfs/dbraw/zinc/84/49/20/501844920.db2.gz 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CCCc1cc(C(=O)N=c2nc(-c3ccccc3Cl)[n-]n2C)ccn1 ZINC000461236229 502048319 /nfs/dbraw/zinc/04/83/19/502048319.db2.gz HOAHFGSYHFBIAY-UHFFFAOYSA-N -1 3 355.829 3.157 20 0 FGADHM CSc1ccccc1CC(=O)N=c1nc(-c2ccccc2Cl)[n-]n1C ZINC000461237242 502048337 /nfs/dbraw/zinc/04/83/37/502048337.db2.gz XWTVJXCRIQHAQF-UHFFFAOYSA-N -1 3 372.881 3.461 20 0 FGADHM NC(=O)c1cc(NC(=O)CCCc2ccc([O-])c(F)c2)ccc1Cl ZINC000468422201 502055090 /nfs/dbraw/zinc/05/50/90/502055090.db2.gz XKZLUFHVMVBLOV-UHFFFAOYSA-N -1 3 350.777 3.245 20 0 FGADHM O=C([N-]c1nc2cc(Cl)ccn2n1)c1csc(-c2ncccc2F)n1 ZINC000464653681 502055940 /nfs/dbraw/zinc/05/59/40/502055940.db2.gz VEJRBAMOEDFYCI-UHFFFAOYSA-N -1 3 374.788 3.293 20 0 FGADHM COc1ccc(OC)c([N-]C(=O)c2nc(-c3ccc(C)c(F)c3)no2)c1 ZINC000478713213 502066472 /nfs/dbraw/zinc/06/64/72/502066472.db2.gz KZFDAKDTDVVVMR-UHFFFAOYSA-N -1 3 357.341 3.454 20 0 FGADHM COc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCCO[C@@H]2CC(C)C)c1 ZINC000478764167 502078813 /nfs/dbraw/zinc/07/88/13/502078813.db2.gz 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502110605 /nfs/dbraw/zinc/11/06/05/502110605.db2.gz PRYINQOYNYVVJA-HNAYVOBHSA-N -1 3 367.445 3.389 20 0 FGADHM C[C@@H]1[C@H](C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)C1(F)F ZINC000461449393 502119503 /nfs/dbraw/zinc/11/95/03/502119503.db2.gz XPZIOKAKGQZJAB-YMTOWFKASA-N -1 3 372.799 3.124 20 0 FGADHM C[C@@H]1C[C@H]1[C@@H](NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)c1ccc(Cl)cc1 ZINC000461450487 502119921 /nfs/dbraw/zinc/11/99/21/502119921.db2.gz SSQJDVOKRPBPMZ-FNDUUJAJSA-N -1 3 368.820 3.351 20 0 FGADHM COc1ccc(OCCCNC(=O)CCCc2ccc([O-])c(F)c2)cc1 ZINC000468606309 502122234 /nfs/dbraw/zinc/12/22/34/502122234.db2.gz NXPPUMFBPOVWIT-UHFFFAOYSA-N -1 3 361.413 3.448 20 0 FGADHM Cc1c2cc(F)ccc2oc1C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C ZINC000461605187 502151824 /nfs/dbraw/zinc/15/18/24/502151824.db2.gz BYSCZHVPMWELGB-UHFFFAOYSA-N -1 3 369.352 3.029 20 0 FGADHM COc1cccc(C2(CNC(=O)NCc3ncccc3[O-])CCCC2)c1 ZINC000471854095 502154444 /nfs/dbraw/zinc/15/44/44/502154444.db2.gz YAZWYBYDAOLURD-UHFFFAOYSA-N -1 3 355.438 3.107 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COCc1ncc(C(=O)N=c2cc(-c3cc(C)c(C)cc3C)[n-][nH]2)s1 ZINC000487568452 502481852 /nfs/dbraw/zinc/48/18/52/502481852.db2.gz GDFNTFBKJHMCCY-UHFFFAOYSA-N -1 3 356.451 3.279 20 0 FGADHM CCCCOc1ncccc1C[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000462547379 502482139 /nfs/dbraw/zinc/48/21/39/502482139.db2.gz GJAWKFKQGQQXOH-UHFFFAOYSA-N -1 3 374.384 3.156 20 0 FGADHM C[C@@H](C[N-]S(=O)(=O)c1ccc(F)cc1F)Oc1ccc(Cl)cc1 ZINC000462581041 502495308 /nfs/dbraw/zinc/49/53/08/502495308.db2.gz OMNRCSXUQPLVIB-JTQLQIEISA-N -1 3 361.797 3.364 20 0 FGADHM COc1ccccc1C(=O)CNC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000476503845 502507513 /nfs/dbraw/zinc/50/75/13/502507513.db2.gz DETGHOGDSHVJHC-UHFFFAOYSA-N -1 3 353.296 3.032 20 0 FGADHM O=C(NCc1ncccc1[O-])C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000473048821 502509189 /nfs/dbraw/zinc/50/91/89/502509189.db2.gz JUMYIQVKVJXBBE-UHFFFAOYSA-N -1 3 374.611 3.002 20 0 FGADHM CC1(C)CC(C)(C)c2cc(NC(=O)C(=O)NCc3ncccc3[O-])ccc21 ZINC000473046501 502509342 /nfs/dbraw/zinc/50/93/42/502509342.db2.gz 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ZINC000487741540 502519537 /nfs/dbraw/zinc/51/95/37/502519537.db2.gz RELYGRWWGXLCFS-LLVKDONJSA-N -1 3 353.678 3.385 20 0 FGADHM Cc1nc(-c2ccc(NC(=O)N[C@H](C)Cc3ccncc3)cc2)cc(=O)[n-]1 ZINC000487754446 502522992 /nfs/dbraw/zinc/52/29/92/502522992.db2.gz LYWRKUBMNZBMLH-CYBMUJFWSA-N -1 3 363.421 3.305 20 0 FGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)c2ccc(OC(C)C)cc2)c1 ZINC000607915202 506318920 /nfs/dbraw/zinc/31/89/20/506318920.db2.gz HPONWFVPDHMMAS-UHFFFAOYSA-N -1 3 362.451 3.406 20 0 FGADHM Cc1ccccc1-c1cc(=NC(=O)c2ncccc2Br)[nH][n-]1 ZINC000476572604 502530583 /nfs/dbraw/zinc/53/05/83/502530583.db2.gz MVDWUQVJEKWIHV-UHFFFAOYSA-N -1 3 357.211 3.217 20 0 FGADHM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)C12CCCC2 ZINC000462687406 502534198 /nfs/dbraw/zinc/53/41/98/502534198.db2.gz ZCFKEKVPIKFMQM-KBPBESRZSA-N -1 3 363.401 3.120 20 0 FGADHM CCOc1ccc(NC(=O)CCSCc2nc(CC)cc(=O)[n-]2)cc1 ZINC000480371634 502550526 /nfs/dbraw/zinc/55/05/26/502550526.db2.gz TXDWLZAQXLFUJS-UHFFFAOYSA-N -1 3 361.467 3.405 20 0 FGADHM CC1(CC[N-]S(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCOC2)CC1 ZINC000480394028 502556819 /nfs/dbraw/zinc/55/68/19/502556819.db2.gz NIMKOVIQTZTLHR-CYBMUJFWSA-N -1 3 373.902 3.224 20 0 FGADHM COC1(C)CCN(C(=O)c2ccc(C(=O)c3cccc([O-])c3)cc2)CC1 ZINC000462767571 502562379 /nfs/dbraw/zinc/56/23/79/502562379.db2.gz WVIYYKKXNJMMDR-UHFFFAOYSA-N -1 3 353.418 3.264 20 0 FGADHM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]CCC1(C)CC1 ZINC000480431533 502568365 /nfs/dbraw/zinc/56/83/65/502568365.db2.gz ZVMVQCQVUXIYOH-GFCCVEGCSA-N -1 3 361.891 3.222 20 0 FGADHM C[C@H](Oc1ccc2ccccc2c1)C(=O)N=c1cc(-c2cccnc2)[n-][nH]1 ZINC000473399533 502584541 /nfs/dbraw/zinc/58/45/41/502584541.db2.gz RQZWJXWPSXLCEQ-AWEZNQCLSA-N -1 3 358.401 3.453 20 0 FGADHM CCc1cc(C(=O)NC[C@@H]2OCCN(CC)[C@H]2c2ccccc2)ccc1[O-] ZINC000487970754 502585505 /nfs/dbraw/zinc/58/55/05/502585505.db2.gz LRMORSXSWAKVNK-SFTDATJTSA-N -1 3 368.477 3.146 20 0 FGADHM O=C(Nc1n[nH]c2cc(F)ccc12)c1c[n-]nc1-c1cccc(Cl)c1 ZINC000476789514 502586197 /nfs/dbraw/zinc/58/61/97/502586197.db2.gz DUEKJYLOBGLDTR-UHFFFAOYSA-N -1 3 355.760 3.420 20 0 FGADHM O=C(Nc1n[nH]c2cc(F)ccc12)c1cn[n-]c1-c1cccc(Cl)c1 ZINC000476789514 502586200 /nfs/dbraw/zinc/58/62/00/502586200.db2.gz DUEKJYLOBGLDTR-UHFFFAOYSA-N -1 3 355.760 3.420 20 0 FGADHM Cc1[nH]nc2ncc(C(=O)[N-]c3nnc(-c4cc(F)ccc4C)s3)cc12 ZINC000473403612 502587050 /nfs/dbraw/zinc/58/70/50/502587050.db2.gz DHIXHCZYRYEFIN-UHFFFAOYSA-N -1 3 368.397 3.485 20 0 FGADHM CCOc1nc2cc(C(=O)N[C@@H](C)CC(=O)c3cccs3)ccc2[n-]1 ZINC000469897684 502589338 /nfs/dbraw/zinc/58/93/38/502589338.db2.gz FMKMNSZJCDUXNU-NSHDSACASA-N -1 3 357.435 3.414 20 0 FGADHM CCOc1nc2ccc(C(=O)N[C@@H](C)CC(=O)c3cccs3)cc2[n-]1 ZINC000469897684 502589342 /nfs/dbraw/zinc/58/93/42/502589342.db2.gz FMKMNSZJCDUXNU-NSHDSACASA-N -1 3 357.435 3.414 20 0 FGADHM Cc1ncc(CNC(=O)c2cc3c(cc(Cl)cc3Cl)[nH]2)c(=O)[n-]1 ZINC000480537188 502596418 /nfs/dbraw/zinc/59/64/18/502596418.db2.gz NFQJLXZUFIHMRF-UHFFFAOYSA-N -1 3 351.193 3.209 20 0 FGADHM CN(CCOCc1ccccc1)C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000484205900 502599690 /nfs/dbraw/zinc/59/96/90/502599690.db2.gz UWBOZALHSVKGLW-UHFFFAOYSA-N -1 3 372.371 3.095 20 0 FGADHM CCOC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc3[nH]ncc3c(C)c2)c1 ZINC000473494490 502609421 /nfs/dbraw/zinc/60/94/21/502609421.db2.gz YSLSIAOFPNGEQM-UHFFFAOYSA-N -1 3 373.434 3.157 20 0 FGADHM O=C(c1c[n-]c2c(F)cc(F)cc2c1=O)N1CC[C@@H](Nc2ccccc2)C1 ZINC000484281139 502613583 /nfs/dbraw/zinc/61/35/83/502613583.db2.gz ZQTZCUVZQAHWFB-CQSZACIVSA-N -1 3 369.371 3.133 20 0 FGADHM Cn1nc2ccccc2c1C(=O)Nc1n[n-]c(-c2ccccc2Cl)n1 ZINC000477023113 502651946 /nfs/dbraw/zinc/65/19/46/502651946.db2.gz WQHNPRJYMXEZJV-UHFFFAOYSA-N -1 3 352.785 3.264 20 0 FGADHM CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-]c1cc(C)ccc1Cl ZINC000484513363 502659019 /nfs/dbraw/zinc/65/90/19/502659019.db2.gz JINGSMOAFGXYPX-UHFFFAOYSA-N -1 3 357.815 3.391 20 0 FGADHM O=C(CN(Cc1ccco1)c1cccc(Cl)c1)NCc1ncccc1[O-] ZINC000473631509 502660370 /nfs/dbraw/zinc/66/03/70/502660370.db2.gz SLGDNRWHXGTICF-UHFFFAOYSA-N -1 3 371.824 3.357 20 0 FGADHM O=C(CCCc1nc(-c2ccc(Cl)cc2)no1)NCc1ncccc1[O-] ZINC000473638758 502663593 /nfs/dbraw/zinc/66/35/93/502663593.db2.gz MYGLKWFEBKWAFC-UHFFFAOYSA-N -1 3 372.812 3.130 20 0 FGADHM C[C@H](Cc1ccc(F)c(Br)c1)C(=O)NCc1ncccc1[O-] ZINC000473642915 502665990 /nfs/dbraw/zinc/66/59/90/502665990.db2.gz YMAGWCOUCPHZLT-SNVBAGLBSA-N -1 3 367.218 3.184 20 0 FGADHM CCN(CCN1CCCCCC1)C(=O)N=c1ccc(-c2ccccc2)n[n-]1 ZINC000477066526 502668400 /nfs/dbraw/zinc/66/84/00/502668400.db2.gz ZDPIZNDPJSFNGZ-UHFFFAOYSA-N -1 3 367.497 3.295 20 0 FGADHM Cc1ccc(CS(=O)(=O)[N-][C@@H]2COc3ccc(Cl)cc32)c(F)c1 ZINC000480798797 502674077 /nfs/dbraw/zinc/67/40/77/502674077.db2.gz XSXDASKYZONANC-OAHLLOKOSA-N -1 3 355.818 3.341 20 0 FGADHM CC(C)n1cc2c(n1)C[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1Cl)CC2 ZINC000480822191 502679382 /nfs/dbraw/zinc/67/93/82/502679382.db2.gz HHNLCQMFSWTGJE-ZDUSSCGKSA-N -1 3 371.865 3.092 20 0 FGADHM CCSc1cccc(NC(=O)c2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)c1 ZINC000480848954 502687392 /nfs/dbraw/zinc/68/73/92/502687392.db2.gz YENSZNGGZPCNSV-IBGZPJMESA-N -1 3 369.446 3.106 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]c2cc(-c3n[nH]c(C)n3)ccc2C)cc1C ZINC000484637163 502691144 /nfs/dbraw/zinc/69/11/44/502691144.db2.gz IPMHNVUJJZIJOG-UHFFFAOYSA-N -1 3 372.450 3.206 20 0 FGADHM O=S(=O)([N-]Cc1csc(-c2ccco2)n1)c1cc(F)c(F)c(F)c1 ZINC000477155658 502693504 /nfs/dbraw/zinc/69/35/04/502693504.db2.gz ZLSSAQLHCINPRF-UHFFFAOYSA-N -1 3 374.365 3.299 20 0 FGADHM COCc1cc(C(=O)[N-]c2ncc(Cc3ccc(F)c(F)c3)s2)no1 ZINC000463132462 502703687 /nfs/dbraw/zinc/70/36/87/502703687.db2.gz OZADAXIKBOXVFJ-UHFFFAOYSA-N -1 3 365.361 3.399 20 0 FGADHM CO[C@]1(C)C[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)C1(C)C ZINC000466877094 502711353 /nfs/dbraw/zinc/71/13/53/502711353.db2.gz KQANOBFWCLBMOZ-TZMCWYRMSA-N -1 3 352.283 3.475 20 0 FGADHM O=S(=O)([N-]c1ccc(F)c(-c2nc[nH]n2)c1)c1ccc(Cl)cc1 ZINC000470241303 502714208 /nfs/dbraw/zinc/71/42/08/502714208.db2.gz HSRZLVADKJPWRX-UHFFFAOYSA-N -1 3 352.778 3.065 20 0 FGADHM CCCc1ccc(S(=O)(=O)[N-]c2cc(-c3nc[nH]n3)ccc2F)cc1 ZINC000470262720 502718278 /nfs/dbraw/zinc/71/82/78/502718278.db2.gz GUWIVWMZXHJPBM-UHFFFAOYSA-N -1 3 360.414 3.364 20 0 FGADHM CCc1cc(C(=O)Nc2cc(F)c(N3CCOCC3)cc2F)ccc1[O-] ZINC000488463480 502722137 /nfs/dbraw/zinc/72/21/37/502722137.db2.gz IRCZHQSBFLKPFM-UHFFFAOYSA-N -1 3 362.376 3.322 20 0 FGADHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1csc(-c2ccccc2F)n1 ZINC000473852905 502725021 /nfs/dbraw/zinc/72/50/21/502725021.db2.gz GSLHJZAMEOBWBR-AWEZNQCLSA-N -1 3 358.398 3.198 20 0 FGADHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1ccc(Br)c(Cl)c1 ZINC000473853082 502725159 /nfs/dbraw/zinc/72/51/59/502725159.db2.gz VRDFJTIVYAGLOG-LBPRGKRZSA-N -1 3 370.634 3.351 20 0 FGADHM Cc1c(C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)cnn1-c1ccccc1Cl ZINC000473853782 502726690 /nfs/dbraw/zinc/72/66/90/502726690.db2.gz IOWRUTFZDCOXFN-INIZCTEOSA-N -1 3 371.828 3.083 20 0 FGADHM CC(=O)Nc1ccc(C)cc1NC(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000484740821 502726770 /nfs/dbraw/zinc/72/67/70/502726770.db2.gz XQMSPZSWQVFVNW-UHFFFAOYSA-N -1 3 371.343 3.325 20 0 FGADHM CC(=O)Nc1ccc(C)cc1NC(=O)c1cnc2c(F)cc(F)cc2c1[O-] ZINC000484740821 502726776 /nfs/dbraw/zinc/72/67/76/502726776.db2.gz XQMSPZSWQVFVNW-UHFFFAOYSA-N -1 3 371.343 3.325 20 0 FGADHM CCOc1ncccc1NC(=O)Cc1ccc(Br)cc1[O-] ZINC000477281361 502727911 /nfs/dbraw/zinc/72/79/11/502727911.db2.gz LWEPEBLVCUHMKZ-UHFFFAOYSA-N -1 3 351.200 3.130 20 0 FGADHM C[C@H]1CCCC[C@H]1OCCNC(=O)Cc1ccc(Br)cc1[O-] ZINC000477280298 502728681 /nfs/dbraw/zinc/72/86/81/502728681.db2.gz MCUPIMSJRCZTHQ-BLLLJJGKSA-N -1 3 370.287 3.409 20 0 FGADHM COc1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)c2cccnc2)c(F)c1 ZINC000481028950 502732564 /nfs/dbraw/zinc/73/25/64/502732564.db2.gz VTBHWJRKZYVYNG-LJQANCHMSA-N -1 3 372.421 3.297 20 0 FGADHM COc1ccc(S(=O)(=O)[N-][C@H](c2ncc(C)s2)C2CC2)c(F)c1 ZINC000481029467 502733421 /nfs/dbraw/zinc/73/34/21/502733421.db2.gz YVCAKZZFLLUIRS-AWEZNQCLSA-N -1 3 356.444 3.029 20 0 FGADHM COc1ccccc1-c1nc(NC(=O)[C@@H]2COc3ccc(Cl)cc32)n[n-]1 ZINC000488507275 502734936 /nfs/dbraw/zinc/73/49/36/502734936.db2.gz WIGGBOHEJAMNNO-CYBMUJFWSA-N -1 3 370.796 3.248 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]CCCCOc2ccc(C)cc2)c(F)c1 ZINC000481049288 502740434 /nfs/dbraw/zinc/74/04/34/502740434.db2.gz VNGQSUNJMCSNPS-UHFFFAOYSA-N -1 3 367.442 3.280 20 0 FGADHM CCc1cc(=O)[n-]c(CS[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)n1 ZINC000477364537 502755714 /nfs/dbraw/zinc/75/57/14/502755714.db2.gz MNYGBQIPGOLXCE-CQSZACIVSA-N -1 3 363.870 3.437 20 0 FGADHM COC(=O)[C@H]1CCCC[C@]1(C)[N-]S(=O)(=O)c1cc(C)c(Cl)s1 ZINC000473943726 502757898 /nfs/dbraw/zinc/75/78/98/502757898.db2.gz VJYVBAWZUOACBS-YGRLFVJLSA-N -1 3 365.904 3.110 20 0 FGADHM Cc1ccccc1[C@@H]([C@H](C)[N-]S(=O)(=O)c1ccccc1F)N(C)C ZINC000473948423 502758722 /nfs/dbraw/zinc/75/87/22/502758722.db2.gz DCVMDQITQRKOMM-KBXCAEBGSA-N -1 3 350.459 3.104 20 0 FGADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H](C)CN1CCCCC1 ZINC000473949954 502759884 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ZINC000590610453 506879778 /nfs/dbraw/zinc/87/97/78/506879778.db2.gz RRGKDGGJGXFMMN-UHFFFAOYSA-N -1 3 362.426 3.009 20 0 FGADHM CC(=O)c1ccc(C(=O)N[C@@H]2CC(C)(C)Oc3ccc(N)cc32)cc1[O-] ZINC000583629777 506885548 /nfs/dbraw/zinc/88/55/48/506885548.db2.gz FTDYRJHZWOVCSH-MRXNPFEDSA-N -1 3 354.406 3.209 20 0 FGADHM COc1ccc([O-])c(C(=O)NCc2nc(-c3ccc(Cl)cc3)no2)c1 ZINC000604604523 506888453 /nfs/dbraw/zinc/88/84/53/506888453.db2.gz RRLBFFQSNLMOGN-UHFFFAOYSA-N -1 3 359.769 3.034 20 0 FGADHM CCOC(=O)CC[C@H]1CCCN(C(=O)c2ccc3[n-]c(OCC)nc3c2)C1 ZINC000590683752 506907335 /nfs/dbraw/zinc/90/73/35/506907335.db2.gz KJIHJFCNLBXZRX-CQSZACIVSA-N -1 3 373.453 3.157 20 0 FGADHM CCOC(=O)CC[C@H]1CCCN(C(=O)c2ccc3nc(OCC)[n-]c3c2)C1 ZINC000590683752 506907340 /nfs/dbraw/zinc/90/73/40/506907340.db2.gz KJIHJFCNLBXZRX-CQSZACIVSA-N -1 3 373.453 3.157 20 0 FGADHM CC(C)(C)n1cc(Br)c(C(=O)Nc2cccc([O-])c2F)n1 ZINC000613110854 506920434 /nfs/dbraw/zinc/92/04/34/506920434.db2.gz UCFDNKRZAHLSCX-UHFFFAOYSA-N -1 3 356.195 3.498 20 0 FGADHM O=C(Nc1ccc(OCC(F)(F)F)c(F)c1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000583822259 506992880 /nfs/dbraw/zinc/99/28/80/506992880.db2.gz GULZNRUWERSLGB-UHFFFAOYSA-N -1 3 371.290 3.392 20 0 FGADHM Cc1cc(F)ccc1N1CCC[C@@H]([N-]S(=O)(=O)c2cccs2)C1 ZINC000605005763 507032650 /nfs/dbraw/zinc/03/26/50/507032650.db2.gz PRSVKPMXAVDXGX-CQSZACIVSA-N -1 3 354.472 3.143 20 0 FGADHM CCOC(=O)CC1(S(=O)(=O)[N-]c2ccc(C(F)(F)F)c(F)c2)CC1 ZINC000600661477 507053004 /nfs/dbraw/zinc/05/30/04/507053004.db2.gz YVOKBSNHQQJBRZ-UHFFFAOYSA-N -1 3 369.336 3.072 20 0 FGADHM CCOC(=O)c1ccc(NC(=O)c2ccc(OCC(F)(F)F)o2)c([O-])c1 ZINC000594331394 507081774 /nfs/dbraw/zinc/08/17/74/507081774.db2.gz CRXNFCFXGOIXIJ-UHFFFAOYSA-N -1 3 373.283 3.355 20 0 FGADHM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(-c4cncnc4)cc3)ccc2O1 ZINC000605118866 507083237 /nfs/dbraw/zinc/08/32/37/507083237.db2.gz KRRNSPFBTQOKON-CYBMUJFWSA-N -1 3 367.430 3.268 20 0 FGADHM CCOC[C@@H]1CCCN([C@H](C(=O)[O-])c2cccc(Br)c2)C1 ZINC000584058194 507128918 /nfs/dbraw/zinc/12/89/18/507128918.db2.gz LRWMCNMGRMOXQU-DOMZBBRYSA-N -1 3 356.260 3.323 20 0 FGADHM CCOC[C@H]1CCCN([C@@H](C(=O)[O-])c2cccc(Br)c2)C1 ZINC000584058196 507129052 /nfs/dbraw/zinc/12/90/52/507129052.db2.gz LRWMCNMGRMOXQU-SWLSCSKDSA-N -1 3 356.260 3.323 20 0 FGADHM CC(C)CN(C)c1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000591175182 507142718 /nfs/dbraw/zinc/14/27/18/507142718.db2.gz JSWCUZRPWDTSSJ-UHFFFAOYSA-N -1 3 350.426 3.211 20 0 FGADHM CC(C)CN(C)c1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000591175182 507142724 /nfs/dbraw/zinc/14/27/24/507142724.db2.gz JSWCUZRPWDTSSJ-UHFFFAOYSA-N -1 3 350.426 3.211 20 0 FGADHM CC(=O)Nc1cccc(CN[C@@H](CSCCc2ccccc2)C(=O)[O-])c1 ZINC000600941655 507200317 /nfs/dbraw/zinc/20/03/17/507200317.db2.gz GMZXDBCICGOHGS-IBGZPJMESA-N -1 3 372.490 3.164 20 0 FGADHM CSCC[C@H](NCc1ccc(Br)c(F)c1F)C(=O)[O-] ZINC000600941630 507201024 /nfs/dbraw/zinc/20/10/24/507201024.db2.gz FWTYFOANXUBYSB-VIFPVBQESA-N -1 3 354.216 3.023 20 0 FGADHM 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3.155 20 0 FGADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CC[C@H](N2CCC2)[C@H](F)C1 ZINC000614093295 507360826 /nfs/dbraw/zinc/36/08/26/507360826.db2.gz ORHCOPAEZSMUIX-MOPGFXCFSA-N -1 3 370.424 3.443 20 0 FGADHM O=C([O-])[C@@H]1CC12CCN(Cc1ccc(OCc3cccnc3)cc1)CC2 ZINC000584474847 507365663 /nfs/dbraw/zinc/36/56/63/507365663.db2.gz JMNQOWBGVXXASY-IBGZPJMESA-N -1 3 352.434 3.347 20 0 FGADHM C[C@]1(c2ccc(NC(=O)CC/C=C/c3ccccc3)cc2)NC(=O)[N-]C1=O ZINC000606352869 507371211 /nfs/dbraw/zinc/37/12/11/507371211.db2.gz SHTPXKOLSVVFAS-AEVNEEFTSA-N -1 3 363.417 3.173 20 0 FGADHM O=C(Cc1csc(-c2ccoc2)n1)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000606530765 507436101 /nfs/dbraw/zinc/43/61/01/507436101.db2.gz VPOBOIMERCZAKR-UHFFFAOYSA-N -1 3 350.403 3.396 20 0 FGADHM Cc1cc(=O)[n-]c([C@H](C)N2CCN(Cc3c(F)cccc3Cl)CC2)n1 ZINC000584700570 507457835 /nfs/dbraw/zinc/45/78/35/507457835.db2.gz ZNTOWTUSGFQCNX-ZDUSSCGKSA-N -1 3 364.852 3.162 20 0 FGADHM CCOC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]C[C@H](C)CC(F)F)c1 ZINC000592067059 507472853 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CCCCc1nc(C(=O)OCC)c(NC(=O)C[C@@H](C)[C@H]2CCCO2)[n-]1 ZINC000598831311 507626497 /nfs/dbraw/zinc/62/64/97/507626497.db2.gz HRTOINQHOCSAJQ-CHWSQXEVSA-N -1 3 351.447 3.073 20 0 FGADHM CCCCc1nc(NC(=O)C[C@@H](C)[C@H]2CCCO2)c(C(=O)OCC)[n-]1 ZINC000598831311 507626501 /nfs/dbraw/zinc/62/65/01/507626501.db2.gz HRTOINQHOCSAJQ-CHWSQXEVSA-N -1 3 351.447 3.073 20 0 FGADHM COc1cccc2c1OCC[C@@H]2[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000585805856 507640222 /nfs/dbraw/zinc/64/02/22/507640222.db2.gz MJIIGCVLTOMUGM-LBPRGKRZSA-N -1 3 371.817 3.290 20 0 FGADHM Cc1cccc2c(C(=O)N[C@H](C)[C@H](C)C(=O)Nc3ncccc3[O-])coc21 ZINC000614818640 507663357 /nfs/dbraw/zinc/66/33/57/507663357.db2.gz UQHCKXFRZNPXBR-QWHCGFSZSA-N -1 3 367.405 3.235 20 0 FGADHM C[C@H](NC(=O)C1CC2(C1)CCCCC2)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000614821057 507666377 /nfs/dbraw/zinc/66/63/77/507666377.db2.gz DYOABUAHUPHWOA-KBPBESRZSA-N -1 3 359.470 3.227 20 0 FGADHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)C/C=C/c1cccc(F)c1 ZINC000614825446 507667780 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Cc1ccc([O-])c(C(=O)N(C)Cc2cc3c(cc2OC(F)F)OCO3)c1 ZINC000607514266 507754757 /nfs/dbraw/zinc/75/47/57/507754757.db2.gz QEMCCHZWELOZCP-UHFFFAOYSA-N -1 3 365.332 3.303 20 0 FGADHM COC(=O)c1cc(Cl)cc(NC(=O)[C@H](C)n2cnc3ccccc32)c1[O-] ZINC000588095357 507759963 /nfs/dbraw/zinc/75/99/63/507759963.db2.gz PEMIBLXAKWCPLC-JTQLQIEISA-N -1 3 373.796 3.382 20 0 FGADHM COC(=O)c1cc(Cl)cc([N-]C(=O)c2nnc(C(C)C)s2)c1O ZINC000588098410 507761238 /nfs/dbraw/zinc/76/12/38/507761238.db2.gz SLMJBZWGLLGDHH-UHFFFAOYSA-N -1 3 355.803 3.059 20 0 FGADHM COC(=O)c1cc(Cl)cc(NC(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)c1[O-] ZINC000588098053 507761776 /nfs/dbraw/zinc/76/17/76/507761776.db2.gz BEXODNHLFMPURT-ZACCUICWSA-N -1 3 365.813 3.166 20 0 FGADHM COC(=O)c1cc(Cl)cc(NC(=O)c2ccc(C(C)=O)cc2F)c1[O-] ZINC000588100910 507762805 /nfs/dbraw/zinc/76/28/05/507762805.db2.gz OZESJOOYZNRONG-UHFFFAOYSA-N -1 3 365.744 3.426 20 0 FGADHM COC(=O)c1cc(Cl)cc(NC(=O)[C@H]2CCCN2c2ccccc2)c1[O-] ZINC000588099324 507763208 /nfs/dbraw/zinc/76/32/08/507763208.db2.gz POOAWRWHQXKGJJ-MRXNPFEDSA-N -1 3 374.824 3.440 20 0 FGADHM CCCS(=O)(=O)[N-]c1cc(NC(=O)[C@H](C)c2ccco2)c(F)cc1F ZINC000607641256 507781824 /nfs/dbraw/zinc/78/18/24/507781824.db2.gz VYLNDIANRDAOCL-SNVBAGLBSA-N -1 3 372.393 3.452 20 0 FGADHM Cc1ccccc1[C@H]([C@H](C)NC(=O)N=c1ncn(C(C)(C)C)[n-]1)N(C)C ZINC000480318045 514918536 /nfs/dbraw/zinc/91/85/36/514918536.db2.gz IULLECRFQXXCJH-HOCLYGCPSA-N -1 3 358.490 3.154 20 0 FGADHM O=C(N[C@H]1CCCN(Cc2ccccc2)C1)c1csc(=NC2CC2)[n-]1 ZINC000476813127 515202370 /nfs/dbraw/zinc/20/23/70/515202370.db2.gz HQCTZCXHWICIHS-INIZCTEOSA-N -1 3 356.495 3.112 20 0 FGADHM C[C@H]1CCN(C)CCN1C(=O)N=c1[n-]nc(-c2cccc(Cl)c2)s1 ZINC000499177766 515228680 /nfs/dbraw/zinc/22/86/80/515228680.db2.gz UAGVFSUIHGVMIG-NSHDSACASA-N -1 3 365.890 3.416 20 0 FGADHM Cc1cc(C)cc(-c2n[n-]c(=NC(=O)N3CCN(C)CC[C@@H]3C)s2)c1 ZINC000499305498 515277255 /nfs/dbraw/zinc/27/72/55/515277255.db2.gz HCFKFVZYJXBYTH-AWEZNQCLSA-N -1 3 359.499 3.380 20 0 FGADHM Cn1[n-]c(=NC(=O)Cc2coc3cc4c(cc23)CCC4)cc1OC(F)F ZINC000490925419 515334272 /nfs/dbraw/zinc/33/42/72/515334272.db2.gz JQICQCFWLHYYNW-UHFFFAOYSA-N -1 3 361.348 3.438 20 0 FGADHM C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@@H]2C(=O)N=c2cc(OC(F)F)n(C)[n-]2)o1 ZINC000490941908 515337607 /nfs/dbraw/zinc/33/76/07/515337607.db2.gz PTQJFUWTNTVYBY-YTWAJWBKSA-N -1 3 351.353 3.480 20 0 FGADHM C[C@@H](Cc1ccncc1)NC(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482166824 515595340 /nfs/dbraw/zinc/59/53/40/515595340.db2.gz GFRMVGUXIDWOLE-NSHDSACASA-N -1 3 374.242 3.245 20 0 FGADHM C[C@@H](CNC(=O)N=c1cc2ccc(Br)cn2[n-]1)C(F)(F)F ZINC000482180018 515598327 /nfs/dbraw/zinc/59/83/27/515598327.db2.gz BDERRGHKOMWPCS-ZETCQYMHSA-N -1 3 365.153 3.417 20 0 FGADHM CC(=O)CCc1ccc(O[C@@H](C)C(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)cc1 ZINC000473846404 515771537 /nfs/dbraw/zinc/77/15/37/515771537.db2.gz ITBAPVBXMHAZGC-KBXCAEBGSA-N -1 3 371.437 3.189 20 0 FGADHM COc1ccc(C[C@H](C)C(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)cc1OC ZINC000473855985 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/nfs/dbraw/zinc/22/89/91/517228991.db2.gz NBQWAWDJQNCVIF-GFCCVEGCSA-N -1 3 363.462 3.116 20 0 FGADHM Cc1cc(C)n(-c2ccc(C(=O)N=c3cc([C@H]4CCCO4)[n-][nH]3)cc2F)n1 ZINC000525966951 517261767 /nfs/dbraw/zinc/26/17/67/517261767.db2.gz GQQJMXJOLWFVAX-QGZVFWFLSA-N -1 3 369.400 3.455 20 0 FGADHM Cc1cc(C)c(-c2cc(=NC(=O)CNC(=O)c3ccccc3)[nH][n-]2)cc1C ZINC000515984112 517528866 /nfs/dbraw/zinc/52/88/66/517528866.db2.gz RLTOKZBANSLANT-UHFFFAOYSA-N -1 3 362.433 3.370 20 0 FGADHM CC1CCC(N2C[C@@H](C(=O)N=c3cc(-c4ccccc4)[n-][nH]3)CC2=O)CC1 ZINC000520919656 517552466 /nfs/dbraw/zinc/55/24/66/517552466.db2.gz WMBWVSLQOWGNDZ-WIHSUSGWSA-N -1 3 366.465 3.442 20 0 FGADHM O=C(N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1)[C@@H](O)C1CCOCC1 ZINC000530798567 517982802 /nfs/dbraw/zinc/98/28/02/517982802.db2.gz WFUFIDRNJISYDI-HNNXBMFYSA-N -1 3 370.236 3.110 20 0 FGADHM Cc1c(C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)cnn1-c1ccc(F)cc1F ZINC000616826733 520164925 /nfs/dbraw/zinc/16/49/25/520164925.db2.gz QMNSRSBWUAORPA-INIZCTEOSA-N -1 3 373.363 3.286 20 0 FGADHM Cc1cc(C)c(-c2cc(=NC(=O)[C@@H](C)NC(=O)c3ccoc3)[nH][n-]2)cc1C ZINC000617358607 520453704 /nfs/dbraw/zinc/45/37/04/520453704.db2.gz YNBUPPRROAAVSZ-CQSZACIVSA-N -1 3 366.421 3.352 20 0 FGADHM CC(C)Cc1n[n-]c(=NC(=O)NC[C@H](C)N(C)Cc2ccccc2)s1 ZINC000601085696 520630024 /nfs/dbraw/zinc/63/00/24/520630024.db2.gz FDYKGVRDXYWEGC-AWEZNQCLSA-N -1 3 361.515 3.379 20 0 FGADHM COc1ccccc1-c1cc(=NC(=O)CNC(=O)CC2CCCCC2)[nH][n-]1 ZINC000623487400 522060489 /nfs/dbraw/zinc/06/04/89/522060489.db2.gz ZFMPLSGFWUBVEG-UHFFFAOYSA-N -1 3 370.453 3.110 20 0 FGADHM CCO[C@H](C(=O)N=c1[nH][n-]c(CC)c1-c1ccc2c(c1)OCO2)C1CC1 ZINC000629966343 522551478 /nfs/dbraw/zinc/55/14/78/522551478.db2.gz NNRDVLYLUNZQIP-KRWDZBQOSA-N -1 3 357.410 3.121 20 0 FGADHM Cc1sc(CC(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)nc1-c1ccco1 ZINC000636144679 522769079 /nfs/dbraw/zinc/76/90/79/522769079.db2.gz TXVOGWKDSOWSEC-GFCCVEGCSA-N -1 3 358.423 3.467 20 0 FGADHM CCC(=O)N1CCC[C@H](C(=O)N=c2cc(-c3cccc(Cl)c3)[n-][nH]2)C1 ZINC000622891446 523532323 /nfs/dbraw/zinc/53/23/23/523532323.db2.gz ZIQJOKBDTDQDES-ZDUSSCGKSA-N -1 3 360.845 3.317 20 0 FGADHM CCS(=O)(=O)c1ccc(CC(=O)N=c2cc(-c3ccccc3)[n-][nH]2)cc1 ZINC000478039842 561158818 /nfs/dbraw/zinc/15/88/18/561158818.db2.gz IGTQPJGTZWIFCA-UHFFFAOYSA-N -1 3 369.446 3.052 20 0 FGADHM CC[C@H](C[C@@H](C)CO)NC(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482188531 561249928 /nfs/dbraw/zinc/24/99/28/561249928.db2.gz RKFMZOPUONKDGK-ZYHUDNBSSA-N -1 3 369.263 3.015 20 0 FGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)N1CCCSCC1 ZINC000482216586 561250468 /nfs/dbraw/zinc/25/04/68/561250468.db2.gz WBSVFMFHWJPSAH-UHFFFAOYSA-N -1 3 355.261 3.068 20 0 FGADHM Cn1[n-]c(=NC(=O)c2ccc(OC(F)F)c(F)c2)cc1OC(F)F ZINC000501531289 561599658 /nfs/dbraw/zinc/59/96/58/561599658.db2.gz ZCXGWVFUYWHCPF-UHFFFAOYSA-N -1 3 351.231 3.014 20 0 FGADHM CCCCOc1ccccc1NC(=O)C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000472966979 561038922 /nfs/dbraw/zinc/03/89/22/561038922.db2.gz KNPGIKONVVPBSL-INIZCTEOSA-N -1 3 372.425 3.017 20 0 FGADHM CN(C)CCN(Cc1ccccc1F)C(=O)c1csc(=NC2CC2)[n-]1 ZINC000476952873 561132740 /nfs/dbraw/zinc/13/27/40/561132740.db2.gz PDBNWCJGRDUWDN-UHFFFAOYSA-N -1 3 362.474 3.061 20 0 FGADHM COCCOc1cccc(CCC(=O)N=c2cc(-c3ccncc3)[n-][nH]2)c1 ZINC000476962051 561132934 /nfs/dbraw/zinc/13/29/34/561132934.db2.gz JUPOCHWRCRUEJJ-UHFFFAOYSA-N -1 3 366.421 3.068 20 0 FGADHM O=C(c1ccc(C(=O)N2CCC(C3(O)CC3)CC2)cc1)c1cccc([O-])c1 ZINC000652661503 568322468 /nfs/dbraw/zinc/32/24/68/568322468.db2.gz QPGFLRDWNSQVHK-UHFFFAOYSA-N -1 3 365.429 3.000 20 0 FGADHM COc1cccc(S(=O)(=O)[N-]C[C@@H]2CCC[C@@H](C(F)(F)F)C2)c1F ZINC000655532749 568393617 /nfs/dbraw/zinc/39/36/17/568393617.db2.gz ISGCRGKUWYFFEO-GHMZBOCLSA-N -1 3 369.380 3.481 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)NCCc1ccc(F)cc1Cl ZINC000737800081 598823182 /nfs/dbraw/zinc/82/31/82/598823182.db2.gz KFHARQSCGDFHPY-VURMDHGXSA-N -1 3 371.803 3.031 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)NCCc1ccc(F)cc1Cl ZINC000737800081 598823183 /nfs/dbraw/zinc/82/31/83/598823183.db2.gz KFHARQSCGDFHPY-VURMDHGXSA-N -1 3 371.803 3.031 20 0 FGADHM CN(C(=O)Cc1c[nH]c2ccc(Cl)cc12)c1cccc(-c2nnn[n-]2)c1 ZINC000736739399 598830915 /nfs/dbraw/zinc/83/09/15/598830915.db2.gz OEYFDHNIJWEYLD-UHFFFAOYSA-N -1 3 366.812 3.207 20 0 FGADHM CN(C(=O)Cc1c[nH]c2ccc(Cl)cc12)c1cccc(-c2nn[n-]n2)c1 ZINC000736739399 598830917 /nfs/dbraw/zinc/83/09/17/598830917.db2.gz OEYFDHNIJWEYLD-UHFFFAOYSA-N -1 3 366.812 3.207 20 0 FGADHM CCc1ocnc1C(=O)Nc1sc(-c2ccccc2)cc1-c1nnn[n-]1 ZINC000736712691 598831377 /nfs/dbraw/zinc/83/13/77/598831377.db2.gz IIFBVZMMZXCTAQ-UHFFFAOYSA-N -1 3 366.406 3.398 20 0 FGADHM CCc1ocnc1C(=O)Nc1sc(-c2ccccc2)cc1-c1nn[n-]n1 ZINC000736712691 598831378 /nfs/dbraw/zinc/83/13/78/598831378.db2.gz IIFBVZMMZXCTAQ-UHFFFAOYSA-N -1 3 366.406 3.398 20 0 FGADHM CC=CC=CC(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000736306489 598833435 /nfs/dbraw/zinc/83/34/35/598833435.db2.gz XMIGGEYCXIAQSG-CRBCFSCISA-N -1 3 351.435 3.344 20 0 FGADHM CC[C@@H](c1ccncc1)N(CC)C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000736397799 598839032 /nfs/dbraw/zinc/83/90/32/598839032.db2.gz VUUBQHHSCALXSI-BBVFFXRHSA-N -1 3 362.437 3.275 20 0 FGADHM CC[C@@H](c1ccncc1)N(CC)C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000736397799 598839034 /nfs/dbraw/zinc/83/90/34/598839034.db2.gz VUUBQHHSCALXSI-BBVFFXRHSA-N -1 3 362.437 3.275 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H]1CC[C@@H](C)C[C@H]1C ZINC000736637920 598850822 /nfs/dbraw/zinc/85/08/22/598850822.db2.gz UWSBKTLFRLLWES-YRGRVCCFSA-N -1 3 358.446 3.212 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@H]1CC[C@@H](C)C[C@H]1C ZINC000736637920 598850823 /nfs/dbraw/zinc/85/08/23/598850823.db2.gz UWSBKTLFRLLWES-YRGRVCCFSA-N -1 3 358.446 3.212 20 0 FGADHM CC(C)[C@@H](OC(=O)CCc1ccc(-c2nnn[n-]2)cc1)c1ccccn1 ZINC000735736691 598855313 /nfs/dbraw/zinc/85/53/13/598855313.db2.gz YQLFQWDXIGHPTC-GOSISDBHSA-N -1 3 351.410 3.135 20 0 FGADHM CC(C)[C@@H](OC(=O)CCc1ccc(-c2nn[n-]n2)cc1)c1ccccn1 ZINC000735736691 598855315 /nfs/dbraw/zinc/85/53/15/598855315.db2.gz YQLFQWDXIGHPTC-GOSISDBHSA-N -1 3 351.410 3.135 20 0 FGADHM CC(C)(C)OC(=O)NC1CCC(Nc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735632684 598856381 /nfs/dbraw/zinc/85/63/81/598856381.db2.gz FMMMQWCBVHWSBT-UHFFFAOYSA-N -1 3 358.446 3.115 20 0 FGADHM Clc1ccc(Cc2noc(CNc3ccc(-c4nn[n-]n4)cc3)n2)cc1 ZINC000737575480 598859882 /nfs/dbraw/zinc/85/98/82/598859882.db2.gz KSTSUIQCWMQGQD-UHFFFAOYSA-N -1 3 367.800 3.106 20 0 FGADHM Fc1cc(-c2nnn[n-]2)cc(F)c1N[C@@H](c1ccccc1)[C@@H]1CCCO1 ZINC000737640468 598870481 /nfs/dbraw/zinc/87/04/81/598870481.db2.gz YHDFIIQOGOFCIS-HOTGVXAUSA-N -1 3 357.364 3.477 20 0 FGADHM Fc1cc(-c2nn[n-]n2)cc(F)c1N[C@@H](c1ccccc1)[C@@H]1CCCO1 ZINC000737640468 598870482 /nfs/dbraw/zinc/87/04/82/598870482.db2.gz YHDFIIQOGOFCIS-HOTGVXAUSA-N -1 3 357.364 3.477 20 0 FGADHM COC(=O)[C@H](N[C@H](C)c1ccc(C)c(C)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736896517 598883288 /nfs/dbraw/zinc/88/32/88/598883288.db2.gz OEYRNIUNZCECOS-RDTXWAMCSA-N -1 3 365.437 3.048 20 0 FGADHM COC(=O)[C@H](N[C@H](C)c1ccc(C)c(C)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736896517 598883290 /nfs/dbraw/zinc/88/32/90/598883290.db2.gz OEYRNIUNZCECOS-RDTXWAMCSA-N -1 3 365.437 3.048 20 0 FGADHM Cc1ccc(CCC(=O)O[C@H](C)COc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737338203 598890271 /nfs/dbraw/zinc/89/02/71/598890271.db2.gz PFKWLESBXZNDQN-OAHLLOKOSA-N -1 3 366.421 3.118 20 0 FGADHM Cc1ccc(CCC(=O)O[C@H](C)COc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737338203 598890273 /nfs/dbraw/zinc/89/02/73/598890273.db2.gz PFKWLESBXZNDQN-OAHLLOKOSA-N -1 3 366.421 3.118 20 0 FGADHM CN(C(=S)Nc1ccccc1-c1nnn[n-]1)[C@H]1CCc2ccccc2C1 ZINC000736740615 598902542 /nfs/dbraw/zinc/90/25/42/598902542.db2.gz CJTJWUFVMJQQOT-HNNXBMFYSA-N -1 3 364.478 3.053 20 0 FGADHM CN(C(=S)Nc1ccccc1-c1nn[n-]n1)[C@H]1CCc2ccccc2C1 ZINC000736740615 598902543 /nfs/dbraw/zinc/90/25/43/598902543.db2.gz CJTJWUFVMJQQOT-HNNXBMFYSA-N -1 3 364.478 3.053 20 0 FGADHM O=C(c1ccc(F)nc1)N(Cc1ccccc1)c1ccccc1-c1nnn[n-]1 ZINC000738269798 598904967 /nfs/dbraw/zinc/90/49/67/598904967.db2.gz YCWPVZNXGYRFCP-UHFFFAOYSA-N -1 3 374.379 3.248 20 0 FGADHM O=C(c1ccc(F)nc1)N(Cc1ccccc1)c1ccccc1-c1nn[n-]n1 ZINC000738269798 598904969 /nfs/dbraw/zinc/90/49/69/598904969.db2.gz YCWPVZNXGYRFCP-UHFFFAOYSA-N -1 3 374.379 3.248 20 0 FGADHM C[C@@H]1CCN(C(=O)NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)C1 ZINC000736277384 598906324 /nfs/dbraw/zinc/90/63/24/598906324.db2.gz NGJDIHCEDSFQBO-GFCCVEGCSA-N -1 3 368.466 3.147 20 0 FGADHM C[C@H]1CCCCCN1C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000736267076 598922726 /nfs/dbraw/zinc/92/27/26/598922726.db2.gz LOUKEJUZMJVCCN-JTQLQIEISA-N -1 3 366.372 3.265 20 0 FGADHM C[C@H]1CCCCCN1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000736267076 598922727 /nfs/dbraw/zinc/92/27/27/598922727.db2.gz LOUKEJUZMJVCCN-JTQLQIEISA-N -1 3 366.372 3.265 20 0 FGADHM CC(C)C[C@@H]1CCCCCN1C(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000735795131 598943752 /nfs/dbraw/zinc/94/37/52/598943752.db2.gz LFUMNEAYWUQIKX-CVEARBPZSA-N -1 3 371.485 3.451 20 0 FGADHM CC(C)C[C@@H]1CCCCCN1C(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000735795131 598943754 /nfs/dbraw/zinc/94/37/54/598943754.db2.gz LFUMNEAYWUQIKX-CVEARBPZSA-N -1 3 371.485 3.451 20 0 FGADHM C[C@H](c1nc(-c2ccccc2)no1)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736202237 598944961 /nfs/dbraw/zinc/94/49/61/598944961.db2.gz HTRXMQLXXPVAHS-CYBMUJFWSA-N -1 3 361.409 3.110 20 0 FGADHM c1cc(CNc2ccc(OC[C@@H]3CCCO3)cc2)cc(-c2nnn[n-]2)c1 ZINC000738413472 598963669 /nfs/dbraw/zinc/96/36/69/598963669.db2.gz RNUMAKMIWONMKI-SFHVURJKSA-N -1 3 351.410 3.037 20 0 FGADHM c1cc(CNc2ccc(OC[C@@H]3CCCO3)cc2)cc(-c2nn[n-]n2)c1 ZINC000738413472 598963671 /nfs/dbraw/zinc/96/36/71/598963671.db2.gz RNUMAKMIWONMKI-SFHVURJKSA-N -1 3 351.410 3.037 20 0 FGADHM C[C@](O)(CNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccsc1 ZINC000736144424 598976267 /nfs/dbraw/zinc/97/62/67/598976267.db2.gz ZJZNQEXKUCAICG-AWEZNQCLSA-N -1 3 369.372 3.267 20 0 FGADHM C[C@](O)(CNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccsc1 ZINC000736144424 598976270 /nfs/dbraw/zinc/97/62/70/598976270.db2.gz ZJZNQEXKUCAICG-AWEZNQCLSA-N -1 3 369.372 3.267 20 0 FGADHM Cc1c(NCC(=O)N[C@H](C)c2ccccc2Cl)cccc1-c1nnn[n-]1 ZINC000822116693 607256801 /nfs/dbraw/zinc/25/68/01/607256801.db2.gz WIVGBDYQBYAMMN-GFCCVEGCSA-N -1 3 370.844 3.118 20 0 FGADHM Cc1c(NCC(=O)N[C@H](C)c2ccccc2Cl)cccc1-c1nn[n-]n1 ZINC000822116693 607256802 /nfs/dbraw/zinc/25/68/02/607256802.db2.gz WIVGBDYQBYAMMN-GFCCVEGCSA-N -1 3 370.844 3.118 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C1(c2cccc(F)c2)CC1 ZINC000736634760 598997252 /nfs/dbraw/zinc/99/72/52/598997252.db2.gz IILCBKZPFQCJNO-UHFFFAOYSA-N -1 3 367.384 3.075 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C1(c2cccc(F)c2)CC1 ZINC000736634760 598997253 /nfs/dbraw/zinc/99/72/53/598997253.db2.gz IILCBKZPFQCJNO-UHFFFAOYSA-N -1 3 367.384 3.075 20 0 FGADHM C[C@H](CCC1CCCCC1)NC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000735985780 599007910 /nfs/dbraw/zinc/00/79/10/599007910.db2.gz MQGJPJMZTYWDKM-CABCVRRESA-N -1 3 371.485 3.499 20 0 FGADHM NC(=O)[C@H](Sc1ccc2ccccc2c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737740531 599012104 /nfs/dbraw/zinc/01/21/04/599012104.db2.gz NOTMSUIWDZPGJQ-QGZVFWFLSA-N -1 3 361.430 3.339 20 0 FGADHM NC(=O)[C@H](Sc1ccc2ccccc2c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737740531 599012106 /nfs/dbraw/zinc/01/21/06/599012106.db2.gz NOTMSUIWDZPGJQ-QGZVFWFLSA-N -1 3 361.430 3.339 20 0 FGADHM CC[C@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1cc(F)ccc1F ZINC000736366348 599012810 /nfs/dbraw/zinc/01/28/10/599012810.db2.gz ZMDXBINVMFNCAP-INIZCTEOSA-N -1 3 372.379 3.095 20 0 FGADHM CC[C@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1cc(F)ccc1F ZINC000736366348 599012812 /nfs/dbraw/zinc/01/28/12/599012812.db2.gz ZMDXBINVMFNCAP-INIZCTEOSA-N -1 3 372.379 3.095 20 0 FGADHM CCO[C@H]1C[C@H](N(C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)C12CCCC2 ZINC000736619061 599012833 /nfs/dbraw/zinc/01/28/33/599012833.db2.gz XDVKTNPFVNFRRD-HOTGVXAUSA-N -1 3 370.457 3.068 20 0 FGADHM CCO[C@H]1C[C@H](N(C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)C12CCCC2 ZINC000736619061 599012835 /nfs/dbraw/zinc/01/28/35/599012835.db2.gz XDVKTNPFVNFRRD-HOTGVXAUSA-N -1 3 370.457 3.068 20 0 FGADHM CC(C)CC[C@H](NC(=O)COc1cccc(-c2nnn[n-]2)c1)C(C)(C)C ZINC000735798352 599016843 /nfs/dbraw/zinc/01/68/43/599016843.db2.gz WADMOPDBZBGXEP-INIZCTEOSA-N -1 3 359.474 3.213 20 0 FGADHM CC(C)CC[C@H](NC(=O)COc1cccc(-c2nn[n-]n2)c1)C(C)(C)C ZINC000735798352 599016845 /nfs/dbraw/zinc/01/68/45/599016845.db2.gz WADMOPDBZBGXEP-INIZCTEOSA-N -1 3 359.474 3.213 20 0 FGADHM Cc1cccc([C@H](C)NC(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)c1C ZINC000737390775 599018990 /nfs/dbraw/zinc/01/89/90/599018990.db2.gz VIBPAVAEHDSBNH-LSDHHAIUSA-N -1 3 365.437 3.128 20 0 FGADHM Cc1cccc([C@H](C)NC(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)c1C ZINC000737390775 599018992 /nfs/dbraw/zinc/01/89/92/599018992.db2.gz VIBPAVAEHDSBNH-LSDHHAIUSA-N -1 3 365.437 3.128 20 0 FGADHM C[C@@H](OC(=O)c1sccc1-c1nnn[n-]1)c1cnc2ccccc2c1 ZINC000736164474 599026965 /nfs/dbraw/zinc/02/69/65/599026965.db2.gz OTZGKRJLLIBZHD-SNVBAGLBSA-N -1 3 351.391 3.394 20 0 FGADHM Cc1c(NCC(=O)N[C@H](c2ccccc2)C(C)C)cccc1-c1nnn[n-]1 ZINC000822116852 607257708 /nfs/dbraw/zinc/25/77/08/607257708.db2.gz ZFGJPQGPAQFWGP-IBGZPJMESA-N -1 3 364.453 3.101 20 0 FGADHM Cc1c(NCC(=O)N[C@H](c2ccccc2)C(C)C)cccc1-c1nn[n-]n1 ZINC000822116852 607257709 /nfs/dbraw/zinc/25/77/09/607257709.db2.gz ZFGJPQGPAQFWGP-IBGZPJMESA-N -1 3 364.453 3.101 20 0 FGADHM CC1(C)[C@H](Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)[C@H]2CCO[C@@H]21 ZINC000736204686 599045544 /nfs/dbraw/zinc/04/55/44/599045544.db2.gz FSJDZLPWEJGBJU-RTXFEEFZSA-N -1 3 353.348 3.111 20 0 FGADHM CC1(C)[C@H](Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)[C@H]2CCO[C@@H]21 ZINC000736204686 599045547 /nfs/dbraw/zinc/04/55/47/599045547.db2.gz FSJDZLPWEJGBJU-RTXFEEFZSA-N -1 3 353.348 3.111 20 0 FGADHM CO[C@@H](CNc1nc2c(cc1-c1nnn[n-]1)CCC2)c1ccc(Cl)cc1 ZINC000821678651 599046332 /nfs/dbraw/zinc/04/63/32/599046332.db2.gz QPKKTMUPQREMJT-INIZCTEOSA-N -1 3 370.844 3.203 20 0 FGADHM CO[C@@H](CNc1nc2c(cc1-c1nn[n-]n1)CCC2)c1ccc(Cl)cc1 ZINC000821678651 599046333 /nfs/dbraw/zinc/04/63/33/599046333.db2.gz QPKKTMUPQREMJT-INIZCTEOSA-N -1 3 370.844 3.203 20 0 FGADHM CCOc1ccccc1CNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000736654759 599047217 /nfs/dbraw/zinc/04/72/17/599047217.db2.gz XNBVHGQRZNWDMB-UHFFFAOYSA-N -1 3 364.331 3.291 20 0 FGADHM CCOc1ccccc1CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000736654759 599047218 /nfs/dbraw/zinc/04/72/18/599047218.db2.gz XNBVHGQRZNWDMB-UHFFFAOYSA-N -1 3 364.331 3.291 20 0 FGADHM CCN(C(=O)CSc1ccc(-c2nnn[n-]2)cc1F)C1CCCCC1 ZINC000736505984 599063638 /nfs/dbraw/zinc/06/36/38/599063638.db2.gz WGOSQFRHEYQKKX-UHFFFAOYSA-N -1 3 363.462 3.279 20 0 FGADHM CCN(C(=O)CSc1ccc(-c2nn[n-]n2)cc1F)C1CCCCC1 ZINC000736505984 599063640 /nfs/dbraw/zinc/06/36/40/599063640.db2.gz WGOSQFRHEYQKKX-UHFFFAOYSA-N -1 3 363.462 3.279 20 0 FGADHM Cc1ccc(C[C@H](Nc2ccc(-c3nnn[n-]3)cn2)c2ccccn2)cc1 ZINC000737335822 599064047 /nfs/dbraw/zinc/06/40/47/599064047.db2.gz XDHFDQZTLTXOHR-SFHVURJKSA-N -1 3 357.421 3.361 20 0 FGADHM Cc1ccc(C[C@H](Nc2ccc(-c3nn[n-]n3)cn2)c2ccccn2)cc1 ZINC000737335822 599064048 /nfs/dbraw/zinc/06/40/48/599064048.db2.gz XDHFDQZTLTXOHR-SFHVURJKSA-N -1 3 357.421 3.361 20 0 FGADHM Cc1ccc(N2CCC[C@@H](Nc3ccc(F)cc3-c3nnn[n-]3)C2)cc1 ZINC000822242161 599064788 /nfs/dbraw/zinc/06/47/88/599064788.db2.gz CFPALQQDOJUWOH-OAHLLOKOSA-N -1 3 352.417 3.395 20 0 FGADHM Cc1ccc(N2CCC[C@@H](Nc3ccc(F)cc3-c3nn[n-]n3)C2)cc1 ZINC000822242161 599064790 /nfs/dbraw/zinc/06/47/90/599064790.db2.gz CFPALQQDOJUWOH-OAHLLOKOSA-N -1 3 352.417 3.395 20 0 FGADHM CCCCN(CCCC)S(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000821066651 599337779 /nfs/dbraw/zinc/33/77/79/599337779.db2.gz VQQPQXJKSHJOEW-UHFFFAOYSA-N -1 3 371.894 3.111 20 0 FGADHM CCC[C@@H](CCc1ccccc1)NC(=O)c1sccc1-c1nnn[n-]1 ZINC000736425913 599084540 /nfs/dbraw/zinc/08/45/40/599084540.db2.gz LEEBAYINHQSJOT-AWEZNQCLSA-N -1 3 355.467 3.460 20 0 FGADHM CCC[C@@H](CCc1ccccc1)NC(=O)c1sccc1-c1nn[n-]n1 ZINC000736425913 599084542 /nfs/dbraw/zinc/08/45/42/599084542.db2.gz LEEBAYINHQSJOT-AWEZNQCLSA-N -1 3 355.467 3.460 20 0 FGADHM O[C@H](CCNc1ccc(-c2nn[n-]n2)cc1C(F)(F)F)c1ccccc1 ZINC000823672384 599086496 /nfs/dbraw/zinc/08/64/96/599086496.db2.gz DMGZDBQTOUBFNR-OAHLLOKOSA-N -1 3 363.343 3.421 20 0 FGADHM C[C@@H](CNc1nc2c(cc1-c1nnn[n-]1)CCC2)Oc1ccc(Cl)cc1 ZINC000820281885 599092358 /nfs/dbraw/zinc/09/23/58/599092358.db2.gz YSRMULGMVXSWRI-NSHDSACASA-N -1 3 370.844 3.283 20 0 FGADHM C[C@@H](CNc1nc2c(cc1-c1nn[n-]n1)CCC2)Oc1ccc(Cl)cc1 ZINC000820281885 599092361 /nfs/dbraw/zinc/09/23/61/599092361.db2.gz YSRMULGMVXSWRI-NSHDSACASA-N -1 3 370.844 3.283 20 0 FGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N[C@H]1C[C@H]1C1CCCCC1 ZINC000737943687 599096382 /nfs/dbraw/zinc/09/63/82/599096382.db2.gz UWYRMFHVHPNCJY-HOTGVXAUSA-N -1 3 357.483 3.044 20 0 FGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N[C@H]1C[C@H]1C1CCCCC1 ZINC000737943687 599096384 /nfs/dbraw/zinc/09/63/84/599096384.db2.gz UWYRMFHVHPNCJY-HOTGVXAUSA-N -1 3 357.483 3.044 20 0 FGADHM CC(=O)c1cccc(NC(=O)[C@H](C)Sc2ccccc2-c2nnn[n-]2)c1 ZINC000735500075 599107048 /nfs/dbraw/zinc/10/70/48/599107048.db2.gz XIURTEYREUHOLA-LBPRGKRZSA-N -1 3 367.434 3.189 20 0 FGADHM CC(=O)c1cccc(NC(=O)[C@H](C)Sc2ccccc2-c2nn[n-]n2)c1 ZINC000735500075 599107049 /nfs/dbraw/zinc/10/70/49/599107049.db2.gz XIURTEYREUHOLA-LBPRGKRZSA-N -1 3 367.434 3.189 20 0 FGADHM C[C@@H](Sc1ccccc1-c1nnn[n-]1)C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000736193687 599107890 /nfs/dbraw/zinc/10/78/90/599107890.db2.gz RREAUVSHPAHXDS-VXGBXAGGSA-N -1 3 371.441 3.364 20 0 FGADHM C[C@@H](Sc1ccccc1-c1nn[n-]n1)C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000736193687 599107893 /nfs/dbraw/zinc/10/78/93/599107893.db2.gz RREAUVSHPAHXDS-VXGBXAGGSA-N -1 3 371.441 3.364 20 0 FGADHM CCO[C@H]1C[C@@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)C12CCCCC2 ZINC000736612542 599119490 /nfs/dbraw/zinc/11/94/90/599119490.db2.gz QAHCRKLWFGVFJU-KGLIPLIRSA-N -1 3 362.865 3.455 20 0 FGADHM CCO[C@H]1C[C@@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)C12CCCCC2 ZINC000736612542 599119491 /nfs/dbraw/zinc/11/94/91/599119491.db2.gz QAHCRKLWFGVFJU-KGLIPLIRSA-N -1 3 362.865 3.455 20 0 FGADHM O=C([O-])[C@@H](NCc1ccnc(Cl)c1)c1ccc(Br)cc1 ZINC000739506151 599791203 /nfs/dbraw/zinc/79/12/03/599791203.db2.gz URSKNOLUIDJELL-ZDUSSCGKSA-N -1 3 355.619 3.413 20 0 FGADHM CC(C)(C)c1ncc(C=CC(=O)Nc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000742611791 599133901 /nfs/dbraw/zinc/13/39/01/599133901.db2.gz USVNOAJVHKIWLM-HJWRWDBZSA-N -1 3 354.439 3.273 20 0 FGADHM CC(C)(C)c1ncc(C=CC(=O)Nc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000742611791 599133902 /nfs/dbraw/zinc/13/39/02/599133902.db2.gz USVNOAJVHKIWLM-HJWRWDBZSA-N -1 3 354.439 3.273 20 0 FGADHM C[C@@H](NC(=O)[C@]1(C)CCc2ccccc2C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820321446 599136451 /nfs/dbraw/zinc/13/64/51/599136451.db2.gz GJQIVZSQAUEDIK-SPLOXXLWSA-N -1 3 361.449 3.239 20 0 FGADHM C[C@@H](NC(=O)[C@]1(C)CCc2ccccc2C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820321446 599136453 /nfs/dbraw/zinc/13/64/53/599136453.db2.gz GJQIVZSQAUEDIK-SPLOXXLWSA-N -1 3 361.449 3.239 20 0 FGADHM C[C@]1(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CCc2ccccc2C1 ZINC000820577641 599150931 /nfs/dbraw/zinc/15/09/31/599150931.db2.gz SMXNSXAYSPVNLW-IBGZPJMESA-N -1 3 351.385 3.140 20 0 FGADHM C[C@]1(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)CCc2ccccc2C1 ZINC000820577641 599150933 /nfs/dbraw/zinc/15/09/33/599150933.db2.gz SMXNSXAYSPVNLW-IBGZPJMESA-N -1 3 351.385 3.140 20 0 FGADHM C[C@H](OC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1)C1CC1 ZINC000736164516 599151392 /nfs/dbraw/zinc/15/13/92/599151392.db2.gz XWWKXCZEMWIYPE-ZDUSSCGKSA-N -1 3 364.405 3.401 20 0 FGADHM Cc1cc(OCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)ccc1Cl ZINC000737279634 599159549 /nfs/dbraw/zinc/15/95/49/599159549.db2.gz KSPJFRRHMMVBRN-UHFFFAOYSA-N -1 3 368.784 3.458 20 0 FGADHM Cc1cc(OCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)ccc1Cl ZINC000737279634 599159552 /nfs/dbraw/zinc/15/95/52/599159552.db2.gz KSPJFRRHMMVBRN-UHFFFAOYSA-N -1 3 368.784 3.458 20 0 FGADHM CC[C@@H](C)C[C@@H](C)NC(=O)c1cc(C2CC2)nc(SC)c1-c1nnn[n-]1 ZINC000820870074 599160044 /nfs/dbraw/zinc/16/00/44/599160044.db2.gz MOLJGTZZRNBPEM-GHMZBOCLSA-N -1 3 374.514 3.416 20 0 FGADHM CN(C(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F)c1ccc(-c2nnn[n-]2)cc1F ZINC000736730641 599160182 /nfs/dbraw/zinc/16/01/82/599160182.db2.gz BMEBKOUSQCNHNE-WDEREUQCSA-N -1 3 373.338 3.051 20 0 FGADHM CN(C(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F)c1ccc(-c2nn[n-]n2)cc1F ZINC000736730641 599160185 /nfs/dbraw/zinc/16/01/85/599160185.db2.gz BMEBKOUSQCNHNE-WDEREUQCSA-N -1 3 373.338 3.051 20 0 FGADHM CN(C(=O)[C@H]1C[C@@H]1c1c(F)cccc1F)c1ccc(-c2nnn[n-]2)cc1F ZINC000736730638 599160212 /nfs/dbraw/zinc/16/02/12/599160212.db2.gz BMEBKOUSQCNHNE-QWRGUYRKSA-N -1 3 373.338 3.051 20 0 FGADHM CN(C(=O)[C@H]1C[C@@H]1c1c(F)cccc1F)c1ccc(-c2nn[n-]n2)cc1F ZINC000736730638 599160215 /nfs/dbraw/zinc/16/02/15/599160215.db2.gz BMEBKOUSQCNHNE-QWRGUYRKSA-N -1 3 373.338 3.051 20 0 FGADHM COc1ccccc1SCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000737155972 599163626 /nfs/dbraw/zinc/16/36/26/599163626.db2.gz PUCFJJNOFYJSLS-UHFFFAOYSA-N -1 3 366.406 3.218 20 0 FGADHM COc1ccccc1SCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000737155972 599163629 /nfs/dbraw/zinc/16/36/29/599163629.db2.gz PUCFJJNOFYJSLS-UHFFFAOYSA-N -1 3 366.406 3.218 20 0 FGADHM Cc1ccc([C@H]2CSCCN2C(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737329400 599167411 /nfs/dbraw/zinc/16/74/11/599167411.db2.gz GLBWOZCCKFTUPP-QGZVFWFLSA-N -1 3 365.462 3.105 20 0 FGADHM Cc1ccc([C@H]2CSCCN2C(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737329400 599167413 /nfs/dbraw/zinc/16/74/13/599167413.db2.gz GLBWOZCCKFTUPP-QGZVFWFLSA-N -1 3 365.462 3.105 20 0 FGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1F)Nc1ccc(F)cc1F ZINC000737946376 599170341 /nfs/dbraw/zinc/17/03/41/599170341.db2.gz CWJGHTFZQADXTP-UHFFFAOYSA-N -1 3 365.340 3.015 20 0 FGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1F)Nc1ccc(F)cc1F ZINC000737946376 599170343 /nfs/dbraw/zinc/17/03/43/599170343.db2.gz CWJGHTFZQADXTP-UHFFFAOYSA-N -1 3 365.340 3.015 20 0 FGADHM CC(C)(C)c1ccc([C@@H](O)CNc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000735650621 599171004 /nfs/dbraw/zinc/17/10/04/599171004.db2.gz QKMGPHXQNHBTCH-KRWDZBQOSA-N -1 3 355.417 3.449 20 0 FGADHM Cc1cnc([C@@H](NC(=S)Nc2ccccc2-c2nnn[n-]2)C2CC2)s1 ZINC000737445963 599174110 /nfs/dbraw/zinc/17/41/10/599174110.db2.gz MLDNDCRDQMTKJW-ZDUSSCGKSA-N -1 3 371.495 3.069 20 0 FGADHM Cc1cnc([C@@H](NC(=S)Nc2ccccc2-c2nn[n-]n2)C2CC2)s1 ZINC000737445963 599174112 /nfs/dbraw/zinc/17/41/12/599174112.db2.gz MLDNDCRDQMTKJW-ZDUSSCGKSA-N -1 3 371.495 3.069 20 0 FGADHM Cc1ccc([C@H]2CCCN2C(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000737329649 599184227 /nfs/dbraw/zinc/18/42/27/599184227.db2.gz HGCBOGGBAGPDBN-CZUORRHYSA-N -1 3 366.425 3.376 20 0 FGADHM Cc1ccc([C@H]2CCCN2C(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000737329649 599184229 /nfs/dbraw/zinc/18/42/29/599184229.db2.gz HGCBOGGBAGPDBN-CZUORRHYSA-N -1 3 366.425 3.376 20 0 FGADHM C[C@@H](CC(=O)OCCOc1ccc(-c2nn[n-]n2)cc1)c1cccc(F)c1 ZINC000735975484 599184756 /nfs/dbraw/zinc/18/47/56/599184756.db2.gz HIZPRBZIPMDOBX-ZDUSSCGKSA-N -1 3 370.384 3.122 20 0 FGADHM Cc1cc(NC(=O)COc2cccc(-c3nnn[n-]3)c2)c2cccnc2c1C ZINC000822208434 599197636 /nfs/dbraw/zinc/19/76/36/599197636.db2.gz RFZDOUSVPTVHIM-UHFFFAOYSA-N -1 3 374.404 3.049 20 0 FGADHM Cc1cc(NC(=O)COc2cccc(-c3nn[n-]n3)c2)c2cccnc2c1C ZINC000822208434 599197637 /nfs/dbraw/zinc/19/76/37/599197637.db2.gz RFZDOUSVPTVHIM-UHFFFAOYSA-N -1 3 374.404 3.049 20 0 FGADHM C[C@H]1C[C@@H]1NC(=O)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000736234872 599198979 /nfs/dbraw/zinc/19/89/79/599198979.db2.gz CLZSXLSKYRWPQC-HZMBPMFUSA-N -1 3 369.812 3.451 20 0 FGADHM O=C(c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1)N1CCC1 ZINC000738277220 599200656 /nfs/dbraw/zinc/20/06/56/599200656.db2.gz AKLBWQKYCXWMCW-UHFFFAOYSA-N -1 3 355.785 3.158 20 0 FGADHM CC[C@@]1(C)CCCN(C(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)C1 ZINC000820949577 599201347 /nfs/dbraw/zinc/20/13/47/599201347.db2.gz CQWQMYLHTCYKLN-FQEVSTJZSA-N -1 3 371.485 3.455 20 0 FGADHM CC[C@@]1(C)CCCN(C(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)C1 ZINC000820949577 599201349 /nfs/dbraw/zinc/20/13/49/599201349.db2.gz CQWQMYLHTCYKLN-FQEVSTJZSA-N -1 3 371.485 3.455 20 0 FGADHM CC[C@]1(C)CCCN(C(=O)[C@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)C1 ZINC000820950520 599201892 /nfs/dbraw/zinc/20/18/92/599201892.db2.gz OTKULAYCKPPWLH-YLJYHZDGSA-N -1 3 371.485 3.309 20 0 FGADHM CC[C@]1(C)CCCN(C(=O)[C@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)C1 ZINC000820950520 599201895 /nfs/dbraw/zinc/20/18/95/599201895.db2.gz OTKULAYCKPPWLH-YLJYHZDGSA-N -1 3 371.485 3.309 20 0 FGADHM CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820020659 599215481 /nfs/dbraw/zinc/21/54/81/599215481.db2.gz JLNBAKLVCSYVKV-KRWDZBQOSA-N -1 3 353.401 3.003 20 0 FGADHM CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820020659 599215483 /nfs/dbraw/zinc/21/54/83/599215483.db2.gz JLNBAKLVCSYVKV-KRWDZBQOSA-N -1 3 353.401 3.003 20 0 FGADHM C[C@@H](COC(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000736038489 599216207 /nfs/dbraw/zinc/21/62/07/599216207.db2.gz VNKQEDHZTKSODB-ZDUSSCGKSA-N -1 3 354.435 3.306 20 0 FGADHM C[C@@H](COC(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000736038489 599216209 /nfs/dbraw/zinc/21/62/09/599216209.db2.gz VNKQEDHZTKSODB-ZDUSSCGKSA-N -1 3 354.435 3.306 20 0 FGADHM COC(=O)c1ccc2nc(SCc3ccccc3-c3nnn[n-]3)oc2c1 ZINC000736947442 599222241 /nfs/dbraw/zinc/22/22/41/599222241.db2.gz FLPIYIOTNWDPJI-UHFFFAOYSA-N -1 3 367.390 3.087 20 0 FGADHM COC(=O)c1ccc2nc(SCc3ccccc3-c3nn[n-]n3)oc2c1 ZINC000736947442 599222244 /nfs/dbraw/zinc/22/22/44/599222244.db2.gz FLPIYIOTNWDPJI-UHFFFAOYSA-N -1 3 367.390 3.087 20 0 FGADHM CC[C@@H]1CCCN(C(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736398417 599224133 /nfs/dbraw/zinc/22/41/33/599224133.db2.gz ABXCKPWDFMLFAF-MRXNPFEDSA-N -1 3 371.485 3.455 20 0 FGADHM CC[C@@H]1CCCN(C(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736398417 599224135 /nfs/dbraw/zinc/22/41/35/599224135.db2.gz ABXCKPWDFMLFAF-MRXNPFEDSA-N -1 3 371.485 3.455 20 0 FGADHM CCCC[C@H](CC)CC(=O)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000736437473 599224221 /nfs/dbraw/zinc/22/42/21/599224221.db2.gz FQTINOYTYIKUDG-INIZCTEOSA-N -1 3 370.501 3.122 20 0 FGADHM CCCC[C@H](CC)CC(=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000736437473 599224224 /nfs/dbraw/zinc/22/42/24/599224224.db2.gz FQTINOYTYIKUDG-INIZCTEOSA-N -1 3 370.501 3.122 20 0 FGADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(NCC2Cc3ccccc3C2)n1 ZINC000737635876 599232307 /nfs/dbraw/zinc/23/23/07/599232307.db2.gz OJUJPIYPYRYNKL-UHFFFAOYSA-N -1 3 360.343 3.107 20 0 FGADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(NCC2Cc3ccccc3C2)n1 ZINC000737635876 599232310 /nfs/dbraw/zinc/23/23/10/599232310.db2.gz OJUJPIYPYRYNKL-UHFFFAOYSA-N -1 3 360.343 3.107 20 0 FGADHM O=C(c1ncc(-c2nnn[n-]2)cc1Cl)N1CCCCC[C@@H]1c1ccco1 ZINC000823497909 607264217 /nfs/dbraw/zinc/26/42/17/607264217.db2.gz AHFCGNIAJRIVGV-CYBMUJFWSA-N -1 3 372.816 3.266 20 0 FGADHM O=C(c1ncc(-c2nn[n-]n2)cc1Cl)N1CCCCC[C@@H]1c1ccco1 ZINC000823497909 607264218 /nfs/dbraw/zinc/26/42/18/607264218.db2.gz AHFCGNIAJRIVGV-CYBMUJFWSA-N -1 3 372.816 3.266 20 0 FGADHM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000737932840 599227855 /nfs/dbraw/zinc/22/78/55/599227855.db2.gz RBXNEXGIEVRDOZ-BHYGNILZSA-N -1 3 371.510 3.185 20 0 FGADHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000737932840 599227858 /nfs/dbraw/zinc/22/78/58/599227858.db2.gz RBXNEXGIEVRDOZ-BHYGNILZSA-N -1 3 371.510 3.185 20 0 FGADHM Cc1c(NC(=O)c2cnc(-c3ccco3)s2)cccc1-c1nnn[n-]1 ZINC000822115592 607268201 /nfs/dbraw/zinc/26/82/01/607268201.db2.gz GIFFCICITMUCPK-UHFFFAOYSA-N -1 3 352.379 3.144 20 0 FGADHM Cc1c(NC(=O)c2cnc(-c3ccco3)s2)cccc1-c1nn[n-]n1 ZINC000822115592 607268202 /nfs/dbraw/zinc/26/82/02/607268202.db2.gz GIFFCICITMUCPK-UHFFFAOYSA-N -1 3 352.379 3.144 20 0 FGADHM Cc1ccc(OCCC(=O)Nc2cccc(-c3nnn[n-]3)c2C)c(C)c1 ZINC000822262597 607268383 /nfs/dbraw/zinc/26/83/83/607268383.db2.gz BURPLNBGSGHRMK-UHFFFAOYSA-N -1 3 351.410 3.200 20 0 FGADHM Cc1ccc(OCCC(=O)Nc2cccc(-c3nn[n-]n3)c2C)c(C)c1 ZINC000822262597 607268384 /nfs/dbraw/zinc/26/83/84/607268384.db2.gz BURPLNBGSGHRMK-UHFFFAOYSA-N -1 3 351.410 3.200 20 0 FGADHM COc1ccccc1C[C@@H](C)CC(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821890933 607268686 /nfs/dbraw/zinc/26/86/86/607268686.db2.gz SAQZGXBTRCFWGA-CYBMUJFWSA-N -1 3 365.437 3.391 20 0 FGADHM COc1ccccc1C[C@@H](C)CC(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821890933 607268687 /nfs/dbraw/zinc/26/86/87/607268687.db2.gz SAQZGXBTRCFWGA-CYBMUJFWSA-N -1 3 365.437 3.391 20 0 FGADHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)Nc1ccc2ccccc2c1 ZINC000823215684 599237045 /nfs/dbraw/zinc/23/70/45/599237045.db2.gz PMMVFMFVWWCTNT-UHFFFAOYSA-N -1 3 374.404 3.220 20 0 FGADHM C[C@H](NC(=S)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000820403405 599237812 /nfs/dbraw/zinc/23/78/12/599237812.db2.gz JOVQBJXEKLPANL-STQMWFEESA-N -1 3 352.467 3.153 20 0 FGADHM C[C@H](NC(=S)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000820403405 599237814 /nfs/dbraw/zinc/23/78/14/599237814.db2.gz JOVQBJXEKLPANL-STQMWFEESA-N -1 3 352.467 3.153 20 0 FGADHM Cc1c(NC(=O)[C@H](C)CCOc2ccccc2)cccc1-c1nnn[n-]1 ZINC000822061534 607268000 /nfs/dbraw/zinc/26/80/00/607268000.db2.gz PJWOYSLJPDZXDT-CYBMUJFWSA-N -1 3 351.410 3.219 20 0 FGADHM Cc1c(NC(=O)[C@H](C)CCOc2ccccc2)cccc1-c1nn[n-]n1 ZINC000822061534 607268001 /nfs/dbraw/zinc/26/80/01/607268001.db2.gz PJWOYSLJPDZXDT-CYBMUJFWSA-N -1 3 351.410 3.219 20 0 FGADHM CCCC[C@H](CC)CC(=O)O[C@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736436560 599240644 /nfs/dbraw/zinc/24/06/44/599240644.db2.gz DLTVJRYPCVVAFC-KGLIPLIRSA-N -1 3 373.457 3.343 20 0 FGADHM CCCC[C@H](CC)CC(=O)O[C@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736436560 599240646 /nfs/dbraw/zinc/24/06/46/599240646.db2.gz DLTVJRYPCVVAFC-KGLIPLIRSA-N -1 3 373.457 3.343 20 0 FGADHM O=C(NC1CC(c2cccc(Cl)c2)C1)c1sccc1-c1nnn[n-]1 ZINC000738023188 599244472 /nfs/dbraw/zinc/24/44/72/599244472.db2.gz WRDRMIKHMAEEEP-UHFFFAOYSA-N -1 3 359.842 3.258 20 0 FGADHM O=C(NC1CC(c2cccc(Cl)c2)C1)c1sccc1-c1nn[n-]n1 ZINC000738023188 599244475 /nfs/dbraw/zinc/24/44/75/599244475.db2.gz WRDRMIKHMAEEEP-UHFFFAOYSA-N -1 3 359.842 3.258 20 0 FGADHM c1ccc(-c2ccc(-c3nnn[n-]3)c(SCC3CCOCC3)n2)cc1 ZINC000738420247 599247069 /nfs/dbraw/zinc/24/70/69/599247069.db2.gz AKBFYSRTTDXRLN-UHFFFAOYSA-N -1 3 353.451 3.447 20 0 FGADHM c1ccc(-c2ccc(-c3nn[n-]n3)c(SCC3CCOCC3)n2)cc1 ZINC000738420247 599247073 /nfs/dbraw/zinc/24/70/73/599247073.db2.gz AKBFYSRTTDXRLN-UHFFFAOYSA-N -1 3 353.451 3.447 20 0 FGADHM O=C(NCc1ccc(-c2cccnc2)cc1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000823246633 599248923 /nfs/dbraw/zinc/24/89/23/599248923.db2.gz YBYNTGPAFSJWJP-UHFFFAOYSA-N -1 3 371.404 3.250 20 0 FGADHM O=C(NCc1ccc(-c2cccnc2)cc1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000823246633 599248925 /nfs/dbraw/zinc/24/89/25/599248925.db2.gz YBYNTGPAFSJWJP-UHFFFAOYSA-N -1 3 371.404 3.250 20 0 FGADHM C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)c2sccc2-c2nnn[n-]2)C1 ZINC000736235921 599249505 /nfs/dbraw/zinc/24/95/05/599249505.db2.gz PWNVNZWQQYECDY-YGRLFVJLSA-N -1 3 357.414 3.291 20 0 FGADHM C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)c2sccc2-c2nn[n-]n2)C1 ZINC000736235921 599249508 /nfs/dbraw/zinc/24/95/08/599249508.db2.gz PWNVNZWQQYECDY-YGRLFVJLSA-N -1 3 357.414 3.291 20 0 FGADHM C[C@@H](NC(=O)Nc1ccc2ncsc2c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820379366 599254055 /nfs/dbraw/zinc/25/40/55/599254055.db2.gz BLAANYYISRCNFL-SNVBAGLBSA-N -1 3 365.422 3.359 20 0 FGADHM C[C@@H](NC(=O)Nc1ccc2ncsc2c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820379366 599254057 /nfs/dbraw/zinc/25/40/57/599254057.db2.gz BLAANYYISRCNFL-SNVBAGLBSA-N -1 3 365.422 3.359 20 0 FGADHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2NCCc1cccs1 ZINC000737264396 599256880 /nfs/dbraw/zinc/25/68/80/599256880.db2.gz QSKFGOQHEQSOBQ-UHFFFAOYSA-N -1 3 354.414 3.000 20 0 FGADHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2NCCc1cccs1 ZINC000737264396 599256882 /nfs/dbraw/zinc/25/68/82/599256882.db2.gz QSKFGOQHEQSOBQ-UHFFFAOYSA-N -1 3 354.414 3.000 20 0 FGADHM COc1ccccc1[C@@H](C)NC(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821882674 607287388 /nfs/dbraw/zinc/28/73/88/607287388.db2.gz HWJJHWGLZXBJOJ-GFCCVEGCSA-N -1 3 352.398 3.066 20 0 FGADHM COc1ccccc1[C@@H](C)NC(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821882674 607287389 /nfs/dbraw/zinc/28/73/89/607287389.db2.gz HWJJHWGLZXBJOJ-GFCCVEGCSA-N -1 3 352.398 3.066 20 0 FGADHM Cc1c(NC(=O)N(Cc2ccccc2)CC(F)F)cccc1-c1nnn[n-]1 ZINC000822084497 607291577 /nfs/dbraw/zinc/29/15/77/607291577.db2.gz LFKCXEDYIKQEMA-UHFFFAOYSA-N -1 3 372.379 3.474 20 0 FGADHM Cc1c(NC(=O)N(Cc2ccccc2)CC(F)F)cccc1-c1nn[n-]n1 ZINC000822084497 607291578 /nfs/dbraw/zinc/29/15/78/607291578.db2.gz LFKCXEDYIKQEMA-UHFFFAOYSA-N -1 3 372.379 3.474 20 0 FGADHM Cc1c(NC(=O)[C@H](C)Oc2cccc(Cl)c2)cccc1-c1nnn[n-]1 ZINC000822060839 607296461 /nfs/dbraw/zinc/29/64/61/607296461.db2.gz JLEKIXXERFPTPN-NSHDSACASA-N -1 3 357.801 3.235 20 0 FGADHM Cc1c(NC(=O)[C@H](C)Oc2cccc(Cl)c2)cccc1-c1nn[n-]n1 ZINC000822060839 607296462 /nfs/dbraw/zinc/29/64/62/607296462.db2.gz JLEKIXXERFPTPN-NSHDSACASA-N -1 3 357.801 3.235 20 0 FGADHM c1ccc2nc(NCc3cccc4c3OCCCO4)c(-c3nnn[n-]3)cc2c1 ZINC000823751376 607306600 /nfs/dbraw/zinc/30/66/00/607306600.db2.gz IBCQSVLQXKRUSL-UHFFFAOYSA-N -1 3 374.404 3.188 20 0 FGADHM c1ccc2nc(NCc3cccc4c3OCCCO4)c(-c3nn[n-]n3)cc2c1 ZINC000823751376 607306601 /nfs/dbraw/zinc/30/66/01/607306601.db2.gz IBCQSVLQXKRUSL-UHFFFAOYSA-N -1 3 374.404 3.188 20 0 FGADHM COc1cc(OC)c(NCc2ccc(-c3nnn[n-]3)s2)cc1Cl ZINC000821724355 607307983 /nfs/dbraw/zinc/30/79/83/607307983.db2.gz TXHKHDTVSPVTAN-UHFFFAOYSA-N -1 3 351.819 3.211 20 0 FGADHM Cc1ccc(NC(=O)C(C)C)cc1NCc1ccc(-c2nnn[n-]2)s1 ZINC000822242295 607308235 /nfs/dbraw/zinc/30/82/35/607308235.db2.gz HGDDLHLSICLWBI-UHFFFAOYSA-N -1 3 356.455 3.443 20 0 FGADHM Cc1ccc(CC[C@H](C)NC(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000822234983 599263975 /nfs/dbraw/zinc/26/39/75/599263975.db2.gz NSQAIKOTHRFPDV-JSGCOSHPSA-N -1 3 368.441 3.150 20 0 FGADHM Cc1ccc(CC[C@H](C)NC(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822234983 599263977 /nfs/dbraw/zinc/26/39/77/599263977.db2.gz NSQAIKOTHRFPDV-JSGCOSHPSA-N -1 3 368.441 3.150 20 0 FGADHM CCOC(=O)N(C)c1ccc(NCc2cc(-c3nnn[n-]3)cs2)cc1 ZINC000821334618 607309567 /nfs/dbraw/zinc/30/95/67/607309567.db2.gz PGMJBVWRDCBKNA-UHFFFAOYSA-N -1 3 358.427 3.133 20 0 FGADHM CCOC(=O)N(C)c1ccc(NCc2cc(-c3nn[n-]n3)cs2)cc1 ZINC000821334618 607309568 /nfs/dbraw/zinc/30/95/68/607309568.db2.gz PGMJBVWRDCBKNA-UHFFFAOYSA-N -1 3 358.427 3.133 20 0 FGADHM Clc1cc(NCc2ccc(-c3nnn[n-]3)s2)ccc1-n1cccn1 ZINC000822568808 607316367 /nfs/dbraw/zinc/31/63/67/607316367.db2.gz XHXSXDRRFNSYAX-UHFFFAOYSA-N -1 3 357.830 3.379 20 0 FGADHM Cc1cnc(-c2cccc(NCc3cnc4ccc(-c5nnn[n-]5)cn34)c2)o1 ZINC000822389147 607317267 /nfs/dbraw/zinc/31/72/67/607317267.db2.gz MTWSXJZBEASTEQ-UHFFFAOYSA-N -1 3 372.392 3.090 20 0 FGADHM Cc1cnc(-c2cccc(NCc3cnc4ccc(-c5nn[n-]n5)cn34)c2)o1 ZINC000822389147 607317268 /nfs/dbraw/zinc/31/72/68/607317268.db2.gz MTWSXJZBEASTEQ-UHFFFAOYSA-N -1 3 372.392 3.090 20 0 FGADHM FC(F)(F)c1cc(NCCCc2nccs2)ccc1-c1nnn[n-]1 ZINC000737633723 599267685 /nfs/dbraw/zinc/26/76/85/599267685.db2.gz VJOTXXJMKDQVEA-UHFFFAOYSA-N -1 3 354.361 3.387 20 0 FGADHM FC(F)(F)c1cc(NCCCc2nccs2)ccc1-c1nn[n-]n1 ZINC000737633723 599267687 /nfs/dbraw/zinc/26/76/87/599267687.db2.gz VJOTXXJMKDQVEA-UHFFFAOYSA-N -1 3 354.361 3.387 20 0 FGADHM C[C@@H](NC(=O)Nc1c(F)cc(F)cc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000820372846 599296501 /nfs/dbraw/zinc/29/65/01/599296501.db2.gz CILRKGAHSZPGTF-MRVPVSSYSA-N -1 3 362.315 3.167 20 0 FGADHM C[C@@H](NC(=O)Nc1c(F)cc(F)cc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000820372846 599296503 /nfs/dbraw/zinc/29/65/03/599296503.db2.gz CILRKGAHSZPGTF-MRVPVSSYSA-N -1 3 362.315 3.167 20 0 FGADHM C[C@H](NC(=O)Nc1cccc2c1ccn2C)c1cccc(-c2nnn[n-]2)c1 ZINC000820379612 599273916 /nfs/dbraw/zinc/27/39/16/599273916.db2.gz FDNHBZMOAPPCNG-LBPRGKRZSA-N -1 3 361.409 3.241 20 0 FGADHM C[C@H](NC(=O)Nc1cccc2c1ccn2C)c1cccc(-c2nn[n-]n2)c1 ZINC000820379612 599273920 /nfs/dbraw/zinc/27/39/20/599273920.db2.gz FDNHBZMOAPPCNG-LBPRGKRZSA-N -1 3 361.409 3.241 20 0 FGADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)NC(C1CCCC1)C1CCCC1 ZINC000738116609 599276540 /nfs/dbraw/zinc/27/65/40/599276540.db2.gz JPQPPYJJOSPPCM-UHFFFAOYSA-N -1 3 368.485 3.415 20 0 FGADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)NC(C1CCCC1)C1CCCC1 ZINC000738116609 599276542 /nfs/dbraw/zinc/27/65/42/599276542.db2.gz JPQPPYJJOSPPCM-UHFFFAOYSA-N -1 3 368.485 3.415 20 0 FGADHM O=C(C=Cc1ccnc2ccccc12)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000737808401 599278414 /nfs/dbraw/zinc/27/84/14/599278414.db2.gz SBQKCZSJIZDFSI-KTKRTIGZSA-N -1 3 357.373 3.172 20 0 FGADHM O=C(C=Cc1ccnc2ccccc12)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000737808401 599278416 /nfs/dbraw/zinc/27/84/16/599278416.db2.gz SBQKCZSJIZDFSI-KTKRTIGZSA-N -1 3 357.373 3.172 20 0 FGADHM Cc1c(NC(=O)c2c3c(nc4ccccc42)CCC3)cccc1-c1nnn[n-]1 ZINC000822102793 607320971 /nfs/dbraw/zinc/32/09/71/607320971.db2.gz CXLZBLQOWDSLMY-UHFFFAOYSA-N -1 3 370.416 3.464 20 0 FGADHM Cc1c(NC(=O)c2c3c(nc4ccccc42)CCC3)cccc1-c1nn[n-]n1 ZINC000822102793 607320972 /nfs/dbraw/zinc/32/09/72/607320972.db2.gz CXLZBLQOWDSLMY-UHFFFAOYSA-N -1 3 370.416 3.464 20 0 FGADHM Cc1c(NC(=O)c2ccccc2N2CCCCC2)cccc1-c1nnn[n-]1 ZINC000822116057 607321975 /nfs/dbraw/zinc/32/19/75/607321975.db2.gz LRARZLIALLJBKN-UHFFFAOYSA-N -1 3 362.437 3.418 20 0 FGADHM Cc1c(NC(=O)c2ccccc2N2CCCCC2)cccc1-c1nn[n-]n1 ZINC000822116057 607321976 /nfs/dbraw/zinc/32/19/76/607321976.db2.gz LRARZLIALLJBKN-UHFFFAOYSA-N -1 3 362.437 3.418 20 0 FGADHM CCC[C@](C)(O)C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821007930 607323362 /nfs/dbraw/zinc/32/33/62/607323362.db2.gz DTOFPGPQGZAEOZ-IBGZPJMESA-N -1 3 367.409 3.149 20 0 FGADHM CCC[C@](C)(O)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821007930 607323363 /nfs/dbraw/zinc/32/33/63/607323363.db2.gz DTOFPGPQGZAEOZ-IBGZPJMESA-N -1 3 367.409 3.149 20 0 FGADHM Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)c1ccc(C(=O)[O-])cc1 ZINC000821103846 598154787 /nfs/dbraw/zinc/15/47/87/598154787.db2.gz RZYDQVKDPKJWEM-HKUYNNGSSA-N -1 3 350.418 3.141 20 0 FGADHM CC[C@@H]1Oc2cc([C@@H](C)NCc3ccc(C(=O)[O-])cc3)ccc2NC1=O ZINC000263376290 598180249 /nfs/dbraw/zinc/18/02/49/598180249.db2.gz AQBFPBGSRBUWAF-PXAZEXFGSA-N -1 3 354.406 3.345 20 0 FGADHM C[C@H](NCc1cccc(C(=O)[O-])c1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000263448102 598203237 /nfs/dbraw/zinc/20/32/37/598203237.db2.gz YOOUFRFMYVMVAM-HNNXBMFYSA-N -1 3 371.456 3.127 20 0 FGADHM CC(C)Cn1ccnc1CNc1cc(-c2nnn[n-]2)ccc1C(F)(F)F ZINC000820108579 607345802 /nfs/dbraw/zinc/34/58/02/607345802.db2.gz NRHWMUPNBOCDSR-UHFFFAOYSA-N -1 3 365.363 3.350 20 0 FGADHM CC(C)Cn1ccnc1CNc1cc(-c2nn[n-]n2)ccc1C(F)(F)F ZINC000820108579 607345805 /nfs/dbraw/zinc/34/58/05/607345805.db2.gz NRHWMUPNBOCDSR-UHFFFAOYSA-N -1 3 365.363 3.350 20 0 FGADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)N[C@H](c1ccccc1)C1CCC1 ZINC000737854343 598232393 /nfs/dbraw/zinc/23/23/93/598232393.db2.gz XZKSTZLQCQBIPO-HXUWFJFHSA-N -1 3 361.449 3.457 20 0 FGADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)N[C@H](c1ccccc1)C1CCC1 ZINC000737854343 598232396 /nfs/dbraw/zinc/23/23/96/598232396.db2.gz XZKSTZLQCQBIPO-HXUWFJFHSA-N -1 3 361.449 3.457 20 0 FGADHM COCCOc1ccc(Nc2cccc(F)c2-c2nnn[n-]2)cc1Cl ZINC000737015343 598240656 /nfs/dbraw/zinc/24/06/56/598240656.db2.gz OERKQHPRERNVNT-UHFFFAOYSA-N -1 3 363.780 3.428 20 0 FGADHM COCCOc1ccc(Nc2cccc(F)c2-c2nn[n-]n2)cc1Cl ZINC000737015343 598240657 /nfs/dbraw/zinc/24/06/57/598240657.db2.gz OERKQHPRERNVNT-UHFFFAOYSA-N -1 3 363.780 3.428 20 0 FGADHM CC[C@H](C)[C@H](C)N(C(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1)C1CC1 ZINC000736328235 598240694 /nfs/dbraw/zinc/24/06/94/598240694.db2.gz GQURTMOLGSEZEF-IHRRRGAJSA-N -1 3 357.458 3.060 20 0 FGADHM CC[C@H](C)[C@H](C)N(C(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1)C1CC1 ZINC000736328235 598240696 /nfs/dbraw/zinc/24/06/96/598240696.db2.gz GQURTMOLGSEZEF-IHRRRGAJSA-N -1 3 357.458 3.060 20 0 FGADHM CN(Cc1cccc(Br)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736823312 598240722 /nfs/dbraw/zinc/24/07/22/598240722.db2.gz WBDOQUNIOFFGRI-UHFFFAOYSA-N -1 3 362.206 3.405 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1NCc1sccc1Br ZINC000737643231 598243410 /nfs/dbraw/zinc/24/34/10/598243410.db2.gz DHCBSWRECYJZQG-UHFFFAOYSA-N -1 3 354.208 3.442 20 0 FGADHM COc1c(C)cc(CN(C)c2nc3c(cc2-c2nnn[n-]2)CCC3)cc1C ZINC000737023368 598248327 /nfs/dbraw/zinc/24/83/27/598248327.db2.gz MEHJJFFEOQJFHW-UHFFFAOYSA-N -1 3 364.453 3.012 20 0 FGADHM COc1c(C)cc(CN(C)c2nc3c(cc2-c2nn[n-]n2)CCC3)cc1C ZINC000737023368 598248328 /nfs/dbraw/zinc/24/83/28/598248328.db2.gz MEHJJFFEOQJFHW-UHFFFAOYSA-N -1 3 364.453 3.012 20 0 FGADHM Fc1ccc2[nH]c3c(c2c1)CN(Cc1cc(-c2nnn[n-]2)ccc1F)CC3 ZINC000737656482 598251133 /nfs/dbraw/zinc/25/11/33/598251133.db2.gz NDGHCXIFIFPXEV-UHFFFAOYSA-N -1 3 366.375 3.185 20 0 FGADHM Fc1ccc2[nH]c3c(c2c1)CN(Cc1cc(-c2nn[n-]n2)ccc1F)CC3 ZINC000737656482 598251134 /nfs/dbraw/zinc/25/11/34/598251134.db2.gz NDGHCXIFIFPXEV-UHFFFAOYSA-N -1 3 366.375 3.185 20 0 FGADHM O=C(Nc1cn[nH]c1)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000738199259 598254906 /nfs/dbraw/zinc/25/49/06/598254906.db2.gz VQNNHWWGSVOOEE-UHFFFAOYSA-N -1 3 362.353 3.026 20 0 FGADHM O=C(Nc1cn[nH]c1)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738199259 598254907 /nfs/dbraw/zinc/25/49/07/598254907.db2.gz VQNNHWWGSVOOEE-UHFFFAOYSA-N -1 3 362.353 3.026 20 0 FGADHM CC[C@H](NC(=O)Nc1cc(-c2nnn[n-]2)ccc1C)c1nc(C)cs1 ZINC000736360277 598265426 /nfs/dbraw/zinc/26/54/26/598265426.db2.gz AZANKXWQZHNEOO-LBPRGKRZSA-N -1 3 357.443 3.213 20 0 FGADHM CC[C@H](NC(=O)Nc1cc(-c2nn[n-]n2)ccc1C)c1nc(C)cs1 ZINC000736360277 598265427 /nfs/dbraw/zinc/26/54/27/598265427.db2.gz AZANKXWQZHNEOO-LBPRGKRZSA-N -1 3 357.443 3.213 20 0 FGADHM O[C@H](c1ccccc1)C1CCN(c2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000738388561 598275877 /nfs/dbraw/zinc/27/58/77/598275877.db2.gz UDAODWDQIMYLMH-GOSISDBHSA-N -1 3 369.856 3.470 20 0 FGADHM O[C@H](c1ccccc1)C1CCN(c2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000738388561 598275879 /nfs/dbraw/zinc/27/58/79/598275879.db2.gz UDAODWDQIMYLMH-GOSISDBHSA-N -1 3 369.856 3.470 20 0 FGADHM C[C@@H](Cc1cccs1)NC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736067785 598278107 /nfs/dbraw/zinc/27/81/07/598278107.db2.gz ZXDOZVZFNXRIMU-NSHDSACASA-N -1 3 373.486 3.237 20 0 FGADHM C[C@@H](Cc1cccs1)NC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736067785 598278108 /nfs/dbraw/zinc/27/81/08/598278108.db2.gz ZXDOZVZFNXRIMU-NSHDSACASA-N -1 3 373.486 3.237 20 0 FGADHM C[C@@H]1CCCC[C@H]1N(C)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736268776 598278353 /nfs/dbraw/zinc/27/83/53/598278353.db2.gz FOCDYDVZARIVKH-TZMCWYRMSA-N -1 3 359.478 3.466 20 0 FGADHM C[C@@H]1CCCC[C@H]1N(C)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736268776 598278354 /nfs/dbraw/zinc/27/83/54/598278354.db2.gz FOCDYDVZARIVKH-TZMCWYRMSA-N -1 3 359.478 3.466 20 0 FGADHM CCC(=CC(=O)NCc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000736304191 598296479 /nfs/dbraw/zinc/29/64/79/598296479.db2.gz LXYAVIKJEOKKON-ACCUITESSA-N -1 3 351.385 3.116 20 0 FGADHM CCC(=CC(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000736304191 598296480 /nfs/dbraw/zinc/29/64/80/598296480.db2.gz LXYAVIKJEOKKON-ACCUITESSA-N -1 3 351.385 3.116 20 0 FGADHM Fc1cc(-c2nnn[n-]2)ccc1CNC(=S)Nc1ccc(Cl)cc1 ZINC000737637801 598297726 /nfs/dbraw/zinc/29/77/26/598297726.db2.gz CXSOBUSTZNSYAO-UHFFFAOYSA-N -1 3 362.821 3.146 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1CNC(=S)Nc1ccc(Cl)cc1 ZINC000737637801 598297728 /nfs/dbraw/zinc/29/77/28/598297728.db2.gz CXSOBUSTZNSYAO-UHFFFAOYSA-N -1 3 362.821 3.146 20 0 FGADHM Cc1nc(C)c(-c2nnn[n-]2)c(SCc2ccc(OC(C)C)cc2)n1 ZINC000737471127 598315931 /nfs/dbraw/zinc/31/59/31/598315931.db2.gz OXADJLZAKXUOBE-UHFFFAOYSA-N -1 3 356.455 3.353 20 0 FGADHM Cc1nc(C)c(-c2nn[n-]n2)c(SCc2ccc(OC(C)C)cc2)n1 ZINC000737471127 598315932 /nfs/dbraw/zinc/31/59/32/598315932.db2.gz OXADJLZAKXUOBE-UHFFFAOYSA-N -1 3 356.455 3.353 20 0 FGADHM CN(C)c1ccccc1NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736780567 598320867 /nfs/dbraw/zinc/32/08/67/598320867.db2.gz XKMCJEWJUXAJAJ-UHFFFAOYSA-N -1 3 373.873 3.395 20 0 FGADHM CN(C)c1ccccc1NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736780567 598320869 /nfs/dbraw/zinc/32/08/69/598320869.db2.gz XKMCJEWJUXAJAJ-UHFFFAOYSA-N -1 3 373.873 3.395 20 0 FGADHM CCCc1ccccc1NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000736495865 598321523 /nfs/dbraw/zinc/32/15/23/598321523.db2.gz UDVQJSYQKCKCLC-UHFFFAOYSA-N -1 3 354.389 3.280 20 0 FGADHM CCCc1ccccc1NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000736495865 598321525 /nfs/dbraw/zinc/32/15/25/598321525.db2.gz UDVQJSYQKCKCLC-UHFFFAOYSA-N -1 3 354.389 3.280 20 0 FGADHM CC(C)c1nc(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)cs1 ZINC000735938917 598326827 /nfs/dbraw/zinc/32/68/27/598326827.db2.gz IGSPRBDFPMOGLO-UHFFFAOYSA-N -1 3 370.482 3.497 20 0 FGADHM CC(C)c1nc(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)cs1 ZINC000735938917 598326829 /nfs/dbraw/zinc/32/68/29/598326829.db2.gz IGSPRBDFPMOGLO-UHFFFAOYSA-N -1 3 370.482 3.497 20 0 FGADHM CCN(CC(C)C)C(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000736511547 598327268 /nfs/dbraw/zinc/32/72/68/598327268.db2.gz CIQRUHZLQKFCAL-UHFFFAOYSA-N -1 3 369.425 3.157 20 0 FGADHM CCN(CC(C)C)C(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000736511547 598327270 /nfs/dbraw/zinc/32/72/70/598327270.db2.gz CIQRUHZLQKFCAL-UHFFFAOYSA-N -1 3 369.425 3.157 20 0 FGADHM CCC[C@H](C)N(C)C(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000736424288 598327475 /nfs/dbraw/zinc/32/74/75/598327475.db2.gz PXLUHAGFJLNQRZ-ZDUSSCGKSA-N -1 3 369.425 3.299 20 0 FGADHM CCC[C@H](C)N(C)C(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000736424288 598327477 /nfs/dbraw/zinc/32/74/77/598327477.db2.gz PXLUHAGFJLNQRZ-ZDUSSCGKSA-N -1 3 369.425 3.299 20 0 FGADHM C[C@H](NC(=O)Cc1csc(C(C)(C)C)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736110300 598364866 /nfs/dbraw/zinc/36/48/66/598364866.db2.gz HYVPZTWMLWIYQW-NSHDSACASA-N -1 3 370.482 3.041 20 0 FGADHM C[C@H](NC(=O)Cc1csc(C(C)(C)C)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736110300 598364868 /nfs/dbraw/zinc/36/48/68/598364868.db2.gz HYVPZTWMLWIYQW-NSHDSACASA-N -1 3 370.482 3.041 20 0 FGADHM Clc1cccc(-c2nnc(COc3cccc(-c4nnn[n-]4)c3)o2)c1 ZINC000737576130 598383637 /nfs/dbraw/zinc/38/36/37/598383637.db2.gz WJLVANVEVDSTQO-UHFFFAOYSA-N -1 3 354.757 3.149 20 0 FGADHM Clc1cccc(-c2nnc(COc3cccc(-c4nn[n-]n4)c3)o2)c1 ZINC000737576130 598383639 /nfs/dbraw/zinc/38/36/39/598383639.db2.gz WJLVANVEVDSTQO-UHFFFAOYSA-N -1 3 354.757 3.149 20 0 FGADHM Cc1ccc2c(c1)[C@@H](NC(=O)N(C)Cc1cccc(-c3nnn[n-]3)c1)CC2 ZINC000737371939 598393331 /nfs/dbraw/zinc/39/33/31/598393331.db2.gz QUCBDOCDSFECJL-SFHVURJKSA-N -1 3 362.437 3.004 20 0 FGADHM Cc1ccc2c(c1)[C@@H](NC(=O)N(C)Cc1cccc(-c3nn[n-]n3)c1)CC2 ZINC000737371939 598393333 /nfs/dbraw/zinc/39/33/33/598393333.db2.gz QUCBDOCDSFECJL-SFHVURJKSA-N -1 3 362.437 3.004 20 0 FGADHM CC(=O)c1csc(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)c1 ZINC000735503887 598394805 /nfs/dbraw/zinc/39/48/05/598394805.db2.gz KSLPFAXVDVNNAW-UHFFFAOYSA-N -1 3 369.450 3.182 20 0 FGADHM CC(=O)c1csc(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)c1 ZINC000735503887 598394807 /nfs/dbraw/zinc/39/48/07/598394807.db2.gz KSLPFAXVDVNNAW-UHFFFAOYSA-N -1 3 369.450 3.182 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1OCC(=O)Nc1ccc2ccccc2c1 ZINC000737220615 598395717 /nfs/dbraw/zinc/39/57/17/598395717.db2.gz COTWHIVTNLKCPO-UHFFFAOYSA-N -1 3 359.389 3.346 20 0 FGADHM Cc1cc(Cl)ccc1NC(=O)COc1ccc(-c2nn[n-]n2)cc1C ZINC000737265651 598396584 /nfs/dbraw/zinc/39/65/84/598396584.db2.gz YCFMMCNOSFALFM-UHFFFAOYSA-N -1 3 357.801 3.154 20 0 FGADHM C[C@H](Sc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1cccnc1Cl ZINC000736193984 598419565 /nfs/dbraw/zinc/41/95/65/598419565.db2.gz WFQAPBJVPLFFTR-VIFPVBQESA-N -1 3 360.830 3.034 20 0 FGADHM C[C@H](Sc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cccnc1Cl ZINC000736193984 598419567 /nfs/dbraw/zinc/41/95/67/598419567.db2.gz WFQAPBJVPLFFTR-VIFPVBQESA-N -1 3 360.830 3.034 20 0 FGADHM O=C(Oc1c(Cl)cc(Cl)cc1Cl)c1ccc(-c2nnn[n-]2)cn1 ZINC000738251374 598435333 /nfs/dbraw/zinc/43/53/33/598435333.db2.gz NCJHDTVDIXHIOS-UHFFFAOYSA-N -1 3 370.583 3.441 20 0 FGADHM O=C(Oc1c(Cl)cc(Cl)cc1Cl)c1ccc(-c2nn[n-]n2)cn1 ZINC000738251374 598435336 /nfs/dbraw/zinc/43/53/36/598435336.db2.gz NCJHDTVDIXHIOS-UHFFFAOYSA-N -1 3 370.583 3.441 20 0 FGADHM COc1ccc([C@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000737070668 598437034 /nfs/dbraw/zinc/43/70/34/598437034.db2.gz AEIKLOSREQYSGK-JTQLQIEISA-N -1 3 357.801 3.271 20 0 FGADHM COc1ccc([C@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000737070668 598437035 /nfs/dbraw/zinc/43/70/35/598437035.db2.gz AEIKLOSREQYSGK-JTQLQIEISA-N -1 3 357.801 3.271 20 0 FGADHM Fc1ccc(OC[C@H]2CCCO2)c(NCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737657532 598470524 /nfs/dbraw/zinc/47/05/24/598470524.db2.gz WTQAOXVXOOZGKS-MRXNPFEDSA-N -1 3 369.400 3.176 20 0 FGADHM Fc1ccc(OC[C@H]2CCCO2)c(NCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737657532 598470525 /nfs/dbraw/zinc/47/05/25/598470525.db2.gz WTQAOXVXOOZGKS-MRXNPFEDSA-N -1 3 369.400 3.176 20 0 FGADHM O=C(Nc1ccc(F)c(F)c1)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000738165221 598475865 /nfs/dbraw/zinc/47/58/65/598475865.db2.gz HACSNERSCKDGSD-UHFFFAOYSA-N -1 3 370.363 3.341 20 0 FGADHM O=C(Nc1ccc(F)c(F)c1)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000738165221 598475867 /nfs/dbraw/zinc/47/58/67/598475867.db2.gz HACSNERSCKDGSD-UHFFFAOYSA-N -1 3 370.363 3.341 20 0 FGADHM Cc1ccsc1CNC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000737441315 598478120 /nfs/dbraw/zinc/47/81/20/598478120.db2.gz DLURAPBSBWPGKB-UHFFFAOYSA-N -1 3 368.466 3.111 20 0 FGADHM Cc1ccsc1CNC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000737441315 598478122 /nfs/dbraw/zinc/47/81/22/598478122.db2.gz DLURAPBSBWPGKB-UHFFFAOYSA-N -1 3 368.466 3.111 20 0 FGADHM O=C(OCc1ccccc1Oc1ccccc1)c1ccc(-c2nnn[n-]2)cn1 ZINC000738235645 598478930 /nfs/dbraw/zinc/47/89/30/598478930.db2.gz UCJSDKOCFGIVOY-UHFFFAOYSA-N -1 3 373.372 3.411 20 0 FGADHM O=C(OCc1ccccc1Oc1ccccc1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738235645 598478932 /nfs/dbraw/zinc/47/89/32/598478932.db2.gz UCJSDKOCFGIVOY-UHFFFAOYSA-N -1 3 373.372 3.411 20 0 FGADHM Cc1c(C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)oc2c1C(=O)CCC2 ZINC000737208449 598485207 /nfs/dbraw/zinc/48/52/07/598485207.db2.gz BWDPZASXRABZOK-NSHDSACASA-N -1 3 366.377 3.205 20 0 FGADHM Cc1c(C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)oc2c1C(=O)CCC2 ZINC000737208449 598485209 /nfs/dbraw/zinc/48/52/09/598485209.db2.gz BWDPZASXRABZOK-NSHDSACASA-N -1 3 366.377 3.205 20 0 FGADHM Cc1nc2ccc(C(=O)O[C@@H](C)c3cccc(-c4nnn[n-]4)c3)cc2nc1C ZINC000737489170 598491438 /nfs/dbraw/zinc/49/14/38/598491438.db2.gz WSEMOVLDVPFDRV-ZDUSSCGKSA-N -1 3 374.404 3.345 20 0 FGADHM Cc1nc2ccc(C(=O)O[C@@H](C)c3cccc(-c4nn[n-]n4)c3)cc2nc1C ZINC000737489170 598491439 /nfs/dbraw/zinc/49/14/39/598491439.db2.gz WSEMOVLDVPFDRV-ZDUSSCGKSA-N -1 3 374.404 3.345 20 0 FGADHM CCOc1c(C)cc(COC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000736628604 598492619 /nfs/dbraw/zinc/49/26/19/598492619.db2.gz RGBFIFLFFVEUCT-UHFFFAOYSA-N -1 3 352.394 3.239 20 0 FGADHM CCOc1c(C)cc(COC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000736628604 598492621 /nfs/dbraw/zinc/49/26/21/598492621.db2.gz RGBFIFLFFVEUCT-UHFFFAOYSA-N -1 3 352.394 3.239 20 0 FGADHM Cc1nc(CC(C)C)sc1C(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000737473788 598498472 /nfs/dbraw/zinc/49/84/72/598498472.db2.gz GYVBGAAZFXBBPE-UHFFFAOYSA-N -1 3 370.482 3.102 20 0 FGADHM Cc1nc(CC(C)C)sc1C(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000737473788 598498474 /nfs/dbraw/zinc/49/84/74/598498474.db2.gz GYVBGAAZFXBBPE-UHFFFAOYSA-N -1 3 370.482 3.102 20 0 FGADHM COc1ccc(CCNc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1OC ZINC000737090320 598506587 /nfs/dbraw/zinc/50/65/87/598506587.db2.gz MSXWBKJOPLHDTJ-UHFFFAOYSA-N -1 3 359.817 3.192 20 0 FGADHM COc1ccc(CCNc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1OC ZINC000737090320 598506589 /nfs/dbraw/zinc/50/65/89/598506589.db2.gz MSXWBKJOPLHDTJ-UHFFFAOYSA-N -1 3 359.817 3.192 20 0 FGADHM Clc1cc(NCc2ccc(N3CCCC3)nc2)ccc1-c1nnn[n-]1 ZINC000737563750 598508542 /nfs/dbraw/zinc/50/85/42/598508542.db2.gz FNJFEATWXFYCRD-UHFFFAOYSA-N -1 3 355.833 3.127 20 0 FGADHM Clc1cc(NCc2ccc(N3CCCC3)nc2)ccc1-c1nn[n-]n1 ZINC000737563750 598508544 /nfs/dbraw/zinc/50/85/44/598508544.db2.gz FNJFEATWXFYCRD-UHFFFAOYSA-N -1 3 355.833 3.127 20 0 FGADHM CCc1c(C)sc(NC(=O)c2cnn(C(C)(C)C)c2C)c1-c1nnn[n-]1 ZINC000736675110 598515643 /nfs/dbraw/zinc/51/56/43/598515643.db2.gz FFOXEAOYIULRBM-UHFFFAOYSA-N -1 3 373.486 3.311 20 0 FGADHM CCc1c(C)sc(NC(=O)c2cnn(C(C)(C)C)c2C)c1-c1nn[n-]n1 ZINC000736675110 598515645 /nfs/dbraw/zinc/51/56/45/598515645.db2.gz FFOXEAOYIULRBM-UHFFFAOYSA-N -1 3 373.486 3.311 20 0 FGADHM CCc1c(C)sc(NC(=O)c2csc(C3CC3)n2)c1-c1nnn[n-]1 ZINC000736679217 598516105 /nfs/dbraw/zinc/51/61/05/598516105.db2.gz OPMJNNQDVBWTNM-UHFFFAOYSA-N -1 3 360.468 3.385 20 0 FGADHM CCc1c(C)sc(NC(=O)c2csc(C3CC3)n2)c1-c1nn[n-]n1 ZINC000736679217 598516106 /nfs/dbraw/zinc/51/61/06/598516106.db2.gz OPMJNNQDVBWTNM-UHFFFAOYSA-N -1 3 360.468 3.385 20 0 FGADHM CCc1c(C)sc(NC(=O)c2ccc(OC)c(F)c2)c1-c1nnn[n-]1 ZINC000736677109 598517923 /nfs/dbraw/zinc/51/79/23/598517923.db2.gz ZKQUXPWAIIOBIF-UHFFFAOYSA-N -1 3 361.402 3.199 20 0 FGADHM CCc1c(C)sc(NC(=O)c2ccc(OC)c(F)c2)c1-c1nn[n-]n1 ZINC000736677109 598517924 /nfs/dbraw/zinc/51/79/24/598517924.db2.gz ZKQUXPWAIIOBIF-UHFFFAOYSA-N -1 3 361.402 3.199 20 0 FGADHM Cc1ccc(F)cc1C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000737345447 598545184 /nfs/dbraw/zinc/54/51/84/598545184.db2.gz RHEUHZVYMRJPDN-UHFFFAOYSA-N -1 3 363.299 3.168 20 0 FGADHM Cc1ccc(F)cc1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000737345447 598545186 /nfs/dbraw/zinc/54/51/86/598545186.db2.gz RHEUHZVYMRJPDN-UHFFFAOYSA-N -1 3 363.299 3.168 20 0 FGADHM O=C(C=Cc1ccccc1)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000737796014 598546823 /nfs/dbraw/zinc/54/68/23/598546823.db2.gz DRJQWBXJOYPPSL-TWGQIWQCSA-N -1 3 357.320 3.120 20 0 FGADHM O=C(C=Cc1ccccc1)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000737796014 598546825 /nfs/dbraw/zinc/54/68/25/598546825.db2.gz DRJQWBXJOYPPSL-TWGQIWQCSA-N -1 3 357.320 3.120 20 0 FGADHM CCCCCCNC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000736448425 598560522 /nfs/dbraw/zinc/56/05/22/598560522.db2.gz YAQGDYCYYHSKNP-UHFFFAOYSA-N -1 3 354.361 3.170 20 0 FGADHM CCCCCCNC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000736448425 598560523 /nfs/dbraw/zinc/56/05/23/598560523.db2.gz YAQGDYCYYHSKNP-UHFFFAOYSA-N -1 3 354.361 3.170 20 0 FGADHM CC(C)CCC[C@H](C)NC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000735796972 598570429 /nfs/dbraw/zinc/57/04/29/598570429.db2.gz KYSRCAISSBFPQG-MAUKXSAKSA-N -1 3 370.501 3.167 20 0 FGADHM O=C(Oc1cccc(Cl)c1)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738247262 598571326 /nfs/dbraw/zinc/57/13/26/598571326.db2.gz PITVBVJWIBGABQ-MRXNPFEDSA-N -1 3 369.812 3.095 20 0 FGADHM CCc1ccc(OC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736690999 598574612 /nfs/dbraw/zinc/57/46/12/598574612.db2.gz MMULILOGQPPUSJ-SFHVURJKSA-N -1 3 363.421 3.004 20 0 FGADHM Cc1ccc(OC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)c(C)c1 ZINC000737364145 598576512 /nfs/dbraw/zinc/57/65/12/598576512.db2.gz IOFFUVNDMXBTAH-QGZVFWFLSA-N -1 3 363.421 3.058 20 0 FGADHM CCOCCC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000736612009 598582128 /nfs/dbraw/zinc/58/21/28/598582128.db2.gz ZPZLUTHBEDKITJ-UHFFFAOYSA-N -1 3 353.382 3.024 20 0 FGADHM CCOCCC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000736612009 598582129 /nfs/dbraw/zinc/58/21/29/598582129.db2.gz ZPZLUTHBEDKITJ-UHFFFAOYSA-N -1 3 353.382 3.024 20 0 FGADHM Fc1ccc(NC(=S)NC23CC4CC(CC(C4)C2)C3)cc1-c1nnn[n-]1 ZINC000737657941 598582505 /nfs/dbraw/zinc/58/25/05/598582505.db2.gz AHXFSORYCGIMMG-UHFFFAOYSA-N -1 3 372.473 3.261 20 0 FGADHM Fc1ccc(NC(=S)NC23CC4CC(CC(C4)C2)C3)cc1-c1nn[n-]n1 ZINC000737657941 598582507 /nfs/dbraw/zinc/58/25/07/598582507.db2.gz AHXFSORYCGIMMG-UHFFFAOYSA-N -1 3 372.473 3.261 20 0 FGADHM Cc1ccc(F)c2c1CCCN2C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000737344710 598588108 /nfs/dbraw/zinc/58/81/08/598588108.db2.gz JRALMEGUHNJJEZ-PKNBQFBNSA-N -1 3 363.396 3.307 20 0 FGADHM Cc1ccc(F)c2c1CCCN2C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000737344710 598588109 /nfs/dbraw/zinc/58/81/09/598588109.db2.gz JRALMEGUHNJJEZ-PKNBQFBNSA-N -1 3 363.396 3.307 20 0 FGADHM CC(C)(C)c1ccccc1OCC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000735652595 598588511 /nfs/dbraw/zinc/58/85/11/598588511.db2.gz NINUDIYJHVUDAB-UHFFFAOYSA-N -1 3 369.400 3.321 20 0 FGADHM CC(C)(C)c1ccccc1OCC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000735652595 598588513 /nfs/dbraw/zinc/58/85/13/598588513.db2.gz NINUDIYJHVUDAB-UHFFFAOYSA-N -1 3 369.400 3.321 20 0 FGADHM CCC[C@H](NC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1)C1CCCCC1 ZINC000736426029 598593373 /nfs/dbraw/zinc/59/33/73/598593373.db2.gz NIBGWZUZMAJLRI-PBHICJAKSA-N -1 3 371.485 3.499 20 0 FGADHM CCC[C@H](NC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1)C1CCCCC1 ZINC000736426029 598593375 /nfs/dbraw/zinc/59/33/75/598593375.db2.gz NIBGWZUZMAJLRI-PBHICJAKSA-N -1 3 371.485 3.499 20 0 FGADHM CC(C)C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000735690054 598593398 /nfs/dbraw/zinc/59/33/98/598593398.db2.gz FRNXOYIHQAZSDQ-UHFFFAOYSA-N -1 3 355.373 3.179 20 0 FGADHM CC(C)C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000735690054 598593399 /nfs/dbraw/zinc/59/33/99/598593399.db2.gz FRNXOYIHQAZSDQ-UHFFFAOYSA-N -1 3 355.373 3.179 20 0 FGADHM O=C(CNc1ccc(F)c(-c2nnn[n-]2)c1)Nc1cccc2ccccc21 ZINC000737899473 598604335 /nfs/dbraw/zinc/60/43/35/598604335.db2.gz QHQWOTUABQNGOQ-UHFFFAOYSA-N -1 3 362.368 3.210 20 0 FGADHM O=C(CNc1ccc(F)c(-c2nn[n-]n2)c1)Nc1cccc2ccccc21 ZINC000737899473 598604337 /nfs/dbraw/zinc/60/43/37/598604337.db2.gz QHQWOTUABQNGOQ-UHFFFAOYSA-N -1 3 362.368 3.210 20 0 FGADHM O=C(N[C@@H]1CCCC[C@@H]1Cc1ccccc1)c1sccc1-c1nnn[n-]1 ZINC000738026376 598609539 /nfs/dbraw/zinc/60/95/39/598609539.db2.gz QTLKABVKYYDSHW-GDBMZVCRSA-N -1 3 367.478 3.460 20 0 FGADHM O=C(N[C@@H]1CCCC[C@@H]1Cc1ccccc1)c1sccc1-c1nn[n-]n1 ZINC000738026376 598609541 /nfs/dbraw/zinc/60/95/41/598609541.db2.gz QTLKABVKYYDSHW-GDBMZVCRSA-N -1 3 367.478 3.460 20 0 FGADHM Cc1ccc(C)c(N(C(C)C)S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737321469 598622281 /nfs/dbraw/zinc/62/22/81/598622281.db2.gz FPYSSSMAUTWMCN-UHFFFAOYSA-N -1 3 371.466 3.087 20 0 FGADHM Cc1ccc(C)c(N(C(C)C)S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737321469 598622283 /nfs/dbraw/zinc/62/22/83/598622283.db2.gz FPYSSSMAUTWMCN-UHFFFAOYSA-N -1 3 371.466 3.087 20 0 FGADHM C[C@H](CCNC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000735985574 598625863 /nfs/dbraw/zinc/62/58/63/598625863.db2.gz HCJTXMNIKPAGMC-GFCCVEGCSA-N -1 3 354.389 3.321 20 0 FGADHM C[C@H](CCNC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000735985574 598625865 /nfs/dbraw/zinc/62/58/65/598625865.db2.gz HCJTXMNIKPAGMC-GFCCVEGCSA-N -1 3 354.389 3.321 20 0 FGADHM O=C(NCc1cc2c(s1)CCCC2)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738102544 598627989 /nfs/dbraw/zinc/62/79/89/598627989.db2.gz UUJVFSBHOXHWOA-UHFFFAOYSA-N -1 3 372.429 3.268 20 0 FGADHM O=C(NCc1cc2c(s1)CCCC2)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738102544 598627991 /nfs/dbraw/zinc/62/79/91/598627991.db2.gz UUJVFSBHOXHWOA-UHFFFAOYSA-N -1 3 372.429 3.268 20 0 FGADHM CN(Cc1cnn(-c2ccccc2)c1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000736830293 598632062 /nfs/dbraw/zinc/63/20/62/598632062.db2.gz SYWKXIFSBUJTKM-UHFFFAOYSA-N -1 3 365.828 3.342 20 0 FGADHM CN(Cc1cnn(-c2ccccc2)c1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000736830293 598632063 /nfs/dbraw/zinc/63/20/63/598632063.db2.gz SYWKXIFSBUJTKM-UHFFFAOYSA-N -1 3 365.828 3.342 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N[C@H](c1cccs1)C1CC1 ZINC000738166695 598633265 /nfs/dbraw/zinc/63/32/65/598633265.db2.gz LQPFCYMYUMALRH-AWEZNQCLSA-N -1 3 358.402 3.340 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N[C@H](c1cccs1)C1CC1 ZINC000738166695 598633267 /nfs/dbraw/zinc/63/32/67/598633267.db2.gz LQPFCYMYUMALRH-AWEZNQCLSA-N -1 3 358.402 3.340 20 0 FGADHM C[C@@H]1Cc2ccccc2[C@@H]1NC(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000736300187 598643045 /nfs/dbraw/zinc/64/30/45/598643045.db2.gz VEHOJJVMGACLQT-BDJLRTHQSA-N -1 3 350.451 3.087 20 0 FGADHM C[C@@H]1Cc2ccccc2[C@@H]1NC(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000736300187 598643047 /nfs/dbraw/zinc/64/30/47/598643047.db2.gz VEHOJJVMGACLQT-BDJLRTHQSA-N -1 3 350.451 3.087 20 0 FGADHM C[C@@H]1CC(=O)c2c1c(F)ccc2OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000736222262 598643642 /nfs/dbraw/zinc/64/36/42/598643642.db2.gz CCJRFKQFLHNERK-SECBINFHSA-N -1 3 356.332 3.414 20 0 FGADHM C[C@@H]1CC(=O)c2c1c(F)ccc2OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000736222262 598643643 /nfs/dbraw/zinc/64/36/43/598643643.db2.gz CCJRFKQFLHNERK-SECBINFHSA-N -1 3 356.332 3.414 20 0 FGADHM Cc1ccccc1NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000737435119 598643859 /nfs/dbraw/zinc/64/38/59/598643859.db2.gz HIQIQLYGZCRCKZ-UHFFFAOYSA-N -1 3 351.410 3.363 20 0 FGADHM Cc1ccccc1NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000737435119 598643860 /nfs/dbraw/zinc/64/38/60/598643860.db2.gz HIQIQLYGZCRCKZ-UHFFFAOYSA-N -1 3 351.410 3.363 20 0 FGADHM CC(C)CNc1nnc(SCc2ccc(F)cc2-c2nnn[n-]2)s1 ZINC000735839357 598643937 /nfs/dbraw/zinc/64/39/37/598643937.db2.gz QMAOQRLUFSEQCA-UHFFFAOYSA-N -1 3 365.463 3.218 20 0 FGADHM CC(C)CNc1nnc(SCc2ccc(F)cc2-c2nn[n-]n2)s1 ZINC000735839357 598643938 /nfs/dbraw/zinc/64/39/38/598643938.db2.gz QMAOQRLUFSEQCA-UHFFFAOYSA-N -1 3 365.463 3.218 20 0 FGADHM CC(C)CC[C@H](C)NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000735797339 598644216 /nfs/dbraw/zinc/64/42/16/598644216.db2.gz NRAJAEULXZUMPO-HNNXBMFYSA-N -1 3 359.474 3.357 20 0 FGADHM CC(C)CC[C@H](C)NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000735797339 598644218 /nfs/dbraw/zinc/64/42/18/598644218.db2.gz NRAJAEULXZUMPO-HNNXBMFYSA-N -1 3 359.474 3.357 20 0 FGADHM Fc1ccc(CSc2nccn2-c2ccccc2)c(-c2nnn[n-]2)c1 ZINC000737651841 598645151 /nfs/dbraw/zinc/64/51/51/598645151.db2.gz YTWKVPAKVIYWNF-UHFFFAOYSA-N -1 3 352.398 3.484 20 0 FGADHM Fc1ccc(CSc2nccn2-c2ccccc2)c(-c2nn[n-]n2)c1 ZINC000737651841 598645153 /nfs/dbraw/zinc/64/51/53/598645153.db2.gz YTWKVPAKVIYWNF-UHFFFAOYSA-N -1 3 352.398 3.484 20 0 FGADHM C[C@@H]1CCCC[C@@H]1N(C)C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736272486 598649986 /nfs/dbraw/zinc/64/99/86/598649986.db2.gz PSFZQTCMEKUEDD-QAPCUYQASA-N -1 3 371.485 3.453 20 0 FGADHM C[C@@H]1CCCC[C@@H]1N(C)C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736272486 598649987 /nfs/dbraw/zinc/64/99/87/598649987.db2.gz PSFZQTCMEKUEDD-QAPCUYQASA-N -1 3 371.485 3.453 20 0 FGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N[C@H](c1ccccc1)C1CC1 ZINC000737941445 598650637 /nfs/dbraw/zinc/65/06/37/598650637.db2.gz AXHVIBUOURFEFH-GOSISDBHSA-N -1 3 365.462 3.226 20 0 FGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N[C@H](c1ccccc1)C1CC1 ZINC000737941445 598650638 /nfs/dbraw/zinc/65/06/38/598650638.db2.gz AXHVIBUOURFEFH-GOSISDBHSA-N -1 3 365.462 3.226 20 0 FGADHM CC(C)CN(C(=O)CC[C@H]1CCCCO1)c1ccc(-c2nnn[n-]2)cc1 ZINC000735819446 598650874 /nfs/dbraw/zinc/65/08/74/598650874.db2.gz VRCSQYNNJLIBLP-QGZVFWFLSA-N -1 3 357.458 3.205 20 0 FGADHM CC(C)CN(C(=O)CC[C@H]1CCCCO1)c1ccc(-c2nn[n-]n2)cc1 ZINC000735819446 598650876 /nfs/dbraw/zinc/65/08/76/598650876.db2.gz VRCSQYNNJLIBLP-QGZVFWFLSA-N -1 3 357.458 3.205 20 0 FGADHM CCN(C(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1cccc(OC)c1 ZINC000736506230 598652088 /nfs/dbraw/zinc/65/20/88/598652088.db2.gz YVJQQIFLTSZOIH-UHFFFAOYSA-N -1 3 369.450 3.021 20 0 FGADHM CCN(C(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1cccc(OC)c1 ZINC000736506230 598652089 /nfs/dbraw/zinc/65/20/89/598652089.db2.gz YVJQQIFLTSZOIH-UHFFFAOYSA-N -1 3 369.450 3.021 20 0 FGADHM C[C@@H]1CCC[C@@H](CNC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)C1 ZINC000736254091 598654645 /nfs/dbraw/zinc/65/46/45/598654645.db2.gz XSVVLAXEZATAOK-HZPDHXFCSA-N -1 3 371.485 3.358 20 0 FGADHM C[C@@H]1CCC[C@@H](CNC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)C1 ZINC000736254091 598654647 /nfs/dbraw/zinc/65/46/47/598654647.db2.gz XSVVLAXEZATAOK-HZPDHXFCSA-N -1 3 371.485 3.358 20 0 FGADHM C[C@@H](CNC(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1 ZINC000736014730 598656097 /nfs/dbraw/zinc/65/60/97/598656097.db2.gz PXBIMIKRMWMSPS-LBPRGKRZSA-N -1 3 371.441 3.018 20 0 FGADHM C[C@@H](CNC(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1 ZINC000736014730 598656099 /nfs/dbraw/zinc/65/60/99/598656099.db2.gz PXBIMIKRMWMSPS-LBPRGKRZSA-N -1 3 371.441 3.018 20 0 FGADHM COc1ccc(OC)c(CCNc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000737110462 598656162 /nfs/dbraw/zinc/65/61/62/598656162.db2.gz ZPINKWCEOOOAON-UHFFFAOYSA-N -1 3 359.817 3.192 20 0 FGADHM COc1ccc(OC)c(CCNc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000737110462 598656164 /nfs/dbraw/zinc/65/61/64/598656164.db2.gz ZPINKWCEOOOAON-UHFFFAOYSA-N -1 3 359.817 3.192 20 0 FGADHM Cc1ccc(N(C)C(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737347896 598656887 /nfs/dbraw/zinc/65/68/87/598656887.db2.gz TVXWRONKLPZYEE-UHFFFAOYSA-N -1 3 365.437 3.387 20 0 FGADHM Cc1ccc(N(C)C(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737347896 598656889 /nfs/dbraw/zinc/65/68/89/598656889.db2.gz TVXWRONKLPZYEE-UHFFFAOYSA-N -1 3 365.437 3.387 20 0 FGADHM C[C@H]1CN(c2ccc(-c3nnn[n-]3)c(Cl)c2)C[C@@H](c2ccccc2)O1 ZINC000736289474 598657274 /nfs/dbraw/zinc/65/72/74/598657274.db2.gz MCDFUNXAVYDHOT-SJCJKPOMSA-N -1 3 355.829 3.487 20 0 FGADHM C[C@H]1CN(c2ccc(-c3nn[n-]n3)c(Cl)c2)C[C@@H](c2ccccc2)O1 ZINC000736289474 598657276 /nfs/dbraw/zinc/65/72/76/598657276.db2.gz MCDFUNXAVYDHOT-SJCJKPOMSA-N -1 3 355.829 3.487 20 0 FGADHM CC(C)C(C)(C)NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000735695425 598657575 /nfs/dbraw/zinc/65/75/75/598657575.db2.gz QNESULNFMCBHCO-UHFFFAOYSA-N -1 3 366.425 3.218 20 0 FGADHM CC(C)C(C)(C)NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000735695425 598657577 /nfs/dbraw/zinc/65/75/77/598657577.db2.gz QNESULNFMCBHCO-UHFFFAOYSA-N -1 3 366.425 3.218 20 0 FGADHM COc1ccc2cc(C=CC(=O)Nc3ccc(-c4nnn[n-]4)cn3)ccc2c1 ZINC000737118903 598659326 /nfs/dbraw/zinc/65/93/26/598659326.db2.gz JGERJYMOYRQIBN-YCRREMRBSA-N -1 3 372.388 3.075 20 0 FGADHM COc1ccc2cc(C=CC(=O)Nc3ccc(-c4nn[n-]n4)cn3)ccc2c1 ZINC000737118903 598659329 /nfs/dbraw/zinc/65/93/29/598659329.db2.gz JGERJYMOYRQIBN-YCRREMRBSA-N -1 3 372.388 3.075 20 0 FGADHM CC(C)N(C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1)C(C)C ZINC000735856469 598664575 /nfs/dbraw/zinc/66/45/75/598664575.db2.gz HLUDCLJEJNAILO-UHFFFAOYSA-N -1 3 366.425 3.313 20 0 FGADHM CC(C)N(C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1)C(C)C ZINC000735856469 598664577 /nfs/dbraw/zinc/66/45/77/598664577.db2.gz HLUDCLJEJNAILO-UHFFFAOYSA-N -1 3 366.425 3.313 20 0 FGADHM CC[C@@H](C)CN(C)C(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000736321859 598666585 /nfs/dbraw/zinc/66/65/85/598666585.db2.gz GDZQNLOVALJXBL-CYBMUJFWSA-N -1 3 369.425 3.157 20 0 FGADHM O[C@@H](CNc1cccc(F)c1-c1nnn[n-]1)c1ccc(Cl)cc1Cl ZINC000738384509 598678848 /nfs/dbraw/zinc/67/88/48/598678848.db2.gz RLMHFHKPAUNXFY-ZDUSSCGKSA-N -1 3 368.199 3.458 20 0 FGADHM O[C@@H](CNc1cccc(F)c1-c1nn[n-]n1)c1ccc(Cl)cc1Cl ZINC000738384509 598678850 /nfs/dbraw/zinc/67/88/50/598678850.db2.gz RLMHFHKPAUNXFY-ZDUSSCGKSA-N -1 3 368.199 3.458 20 0 FGADHM Cc1ccc(OCCCC(=O)OCc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000737364516 598702258 /nfs/dbraw/zinc/70/22/58/598702258.db2.gz FEDNQUVAAHVMJE-UHFFFAOYSA-N -1 3 370.384 3.217 20 0 FGADHM Cc1ccc(OCCCC(=O)OCc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000737364516 598702259 /nfs/dbraw/zinc/70/22/59/598702259.db2.gz FEDNQUVAAHVMJE-UHFFFAOYSA-N -1 3 370.384 3.217 20 0 FGADHM Cc1ccc(C(=O)CCC(=O)OCc2ccc(F)cc2-c2nnn[n-]2)s1 ZINC000737307784 598704959 /nfs/dbraw/zinc/70/49/59/598704959.db2.gz HJICHZWXCOGXRE-UHFFFAOYSA-N -1 3 374.397 3.082 20 0 FGADHM Cc1ccc(C(=O)CCC(=O)OCc2ccc(F)cc2-c2nn[n-]n2)s1 ZINC000737307784 598704960 /nfs/dbraw/zinc/70/49/60/598704960.db2.gz HJICHZWXCOGXRE-UHFFFAOYSA-N -1 3 374.397 3.082 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)C1(c2cccc(F)c2)CCC1 ZINC000738230041 598705411 /nfs/dbraw/zinc/70/54/11/598705411.db2.gz DLOZKNOBGVCKCX-UHFFFAOYSA-N -1 3 370.359 3.310 20 0 FGADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)C1(c2cccc(F)c2)CCC1 ZINC000738230041 598705414 /nfs/dbraw/zinc/70/54/14/598705414.db2.gz DLOZKNOBGVCKCX-UHFFFAOYSA-N -1 3 370.359 3.310 20 0 FGADHM C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)N1Cc1ccc(F)cc1-c1nn[n-]n1 ZINC000736290842 598706002 /nfs/dbraw/zinc/70/60/02/598706002.db2.gz CLUGLUGCOIDFJU-LPMFXHHGSA-N -1 3 367.428 3.356 20 0 FGADHM CCCOc1cccc(C(=O)OCc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000736492711 598707206 /nfs/dbraw/zinc/70/72/06/598707206.db2.gz MPZIOKJNFVGDJD-UHFFFAOYSA-N -1 3 356.357 3.152 20 0 FGADHM CCCOc1cccc(C(=O)OCc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000736492711 598707208 /nfs/dbraw/zinc/70/72/08/598707208.db2.gz MPZIOKJNFVGDJD-UHFFFAOYSA-N -1 3 356.357 3.152 20 0 FGADHM C[C@@H](CC(=O)OCc1ccc(F)cc1-c1nnn[n-]1)c1ccccc1F ZINC000735974217 598710227 /nfs/dbraw/zinc/71/02/27/598710227.db2.gz AXNIHKNYHCGHJZ-NSHDSACASA-N -1 3 358.348 3.382 20 0 FGADHM C[C@@H](CC(=O)OCc1ccc(F)cc1-c1nn[n-]n1)c1ccccc1F ZINC000735974217 598710228 /nfs/dbraw/zinc/71/02/28/598710228.db2.gz AXNIHKNYHCGHJZ-NSHDSACASA-N -1 3 358.348 3.382 20 0 FGADHM C[C@H](OC(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1 ZINC000736155185 598713324 /nfs/dbraw/zinc/71/33/24/598713324.db2.gz JFGCWVKDAZLKAO-NSHDSACASA-N -1 3 358.398 3.402 20 0 FGADHM C[C@H](OC(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1 ZINC000736155185 598713326 /nfs/dbraw/zinc/71/33/26/598713326.db2.gz JFGCWVKDAZLKAO-NSHDSACASA-N -1 3 358.398 3.402 20 0 FGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)OCc1ccc(Cl)s1 ZINC000737949625 598714472 /nfs/dbraw/zinc/71/44/72/598714472.db2.gz ZPFQRZHQDYWCLP-UHFFFAOYSA-N -1 3 366.855 3.417 20 0 FGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)OCc1ccc(Cl)s1 ZINC000737949625 598714474 /nfs/dbraw/zinc/71/44/74/598714474.db2.gz ZPFQRZHQDYWCLP-UHFFFAOYSA-N -1 3 366.855 3.417 20 0 FGADHM Cc1ccc(C)c(COC(=O)CSc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737323728 598715529 /nfs/dbraw/zinc/71/55/29/598715529.db2.gz VVBMCOBKHJVYSZ-UHFFFAOYSA-N -1 3 354.435 3.319 20 0 FGADHM Cc1ccc(C)c(COC(=O)CSc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737323728 598715531 /nfs/dbraw/zinc/71/55/31/598715531.db2.gz VVBMCOBKHJVYSZ-UHFFFAOYSA-N -1 3 354.435 3.319 20 0 FGADHM C[C@H](CSc1ccccc1)C(=O)OCc1ccccc1-c1nnn[n-]1 ZINC000736047006 598724805 /nfs/dbraw/zinc/72/48/05/598724805.db2.gz OMUJXIOCJZWFIM-CYBMUJFWSA-N -1 3 354.435 3.338 20 0 FGADHM C[C@H](CSc1ccccc1)C(=O)OCc1ccccc1-c1nn[n-]n1 ZINC000736047006 598724806 /nfs/dbraw/zinc/72/48/06/598724806.db2.gz OMUJXIOCJZWFIM-CYBMUJFWSA-N -1 3 354.435 3.338 20 0 FGADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1F)c1ccc(-c2ccccc2)[nH]1 ZINC000738231214 598725402 /nfs/dbraw/zinc/72/54/02/598725402.db2.gz JVEOBEZZLOEBEL-UHFFFAOYSA-N -1 3 363.352 3.358 20 0 FGADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1F)c1ccc(-c2ccccc2)[nH]1 ZINC000738231214 598725403 /nfs/dbraw/zinc/72/54/03/598725403.db2.gz JVEOBEZZLOEBEL-UHFFFAOYSA-N -1 3 363.352 3.358 20 0 FGADHM CC(C)[C@H]1CCCC[C@H]1NC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000735749043 598726987 /nfs/dbraw/zinc/72/69/87/598726987.db2.gz LJHFJZJSEDWBID-IAGOWNOFSA-N -1 3 356.474 3.223 20 0 FGADHM CC(C)[C@H]1CCCC[C@H]1NC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000735749043 598726990 /nfs/dbraw/zinc/72/69/90/598726990.db2.gz LJHFJZJSEDWBID-IAGOWNOFSA-N -1 3 356.474 3.223 20 0 FGADHM COC(=O)c1cc(F)ccc1CSc1nc(C)cc(C)c1-c1nnn[n-]1 ZINC000736949886 598733234 /nfs/dbraw/zinc/73/32/34/598733234.db2.gz IDANZJSNVCNGDO-UHFFFAOYSA-N -1 3 373.413 3.097 20 0 FGADHM COC(=O)c1cc(F)ccc1CSc1nc(C)cc(C)c1-c1nn[n-]n1 ZINC000736949886 598733235 /nfs/dbraw/zinc/73/32/35/598733235.db2.gz IDANZJSNVCNGDO-UHFFFAOYSA-N -1 3 373.413 3.097 20 0 FGADHM O=C(OCc1ccoc1)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000738235733 598734662 /nfs/dbraw/zinc/73/46/62/598734662.db2.gz WHQALYSUNCHJNG-UHFFFAOYSA-N -1 3 363.333 3.004 20 0 FGADHM O=C(OCc1ccoc1)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000738235733 598734664 /nfs/dbraw/zinc/73/46/64/598734664.db2.gz WHQALYSUNCHJNG-UHFFFAOYSA-N -1 3 363.333 3.004 20 0 FGADHM CC[C@@H](Sc1ccccc1)C(=O)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000736393377 598740109 /nfs/dbraw/zinc/74/01/09/598740109.db2.gz XRWBFTVRJZYQCG-MRXNPFEDSA-N -1 3 354.435 3.481 20 0 FGADHM CC[C@@H](Sc1ccccc1)C(=O)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000736393377 598740111 /nfs/dbraw/zinc/74/01/11/598740111.db2.gz XRWBFTVRJZYQCG-MRXNPFEDSA-N -1 3 354.435 3.481 20 0 FGADHM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)OCCc1ccc(F)cc1 ZINC000737936929 598740465 /nfs/dbraw/zinc/74/04/65/598740465.db2.gz XSNJYSVNQOZKQZ-UHFFFAOYSA-N -1 3 372.425 3.025 20 0 FGADHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)OCCc1ccc(F)cc1 ZINC000737936929 598740467 /nfs/dbraw/zinc/74/04/67/598740467.db2.gz XSNJYSVNQOZKQZ-UHFFFAOYSA-N -1 3 372.425 3.025 20 0 FGADHM O=C1OCCN1c1cccc(CNc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000738319962 598745487 /nfs/dbraw/zinc/74/54/87/598745487.db2.gz QIOQIMOGGYKFQE-UHFFFAOYSA-N -1 3 370.800 3.089 20 0 FGADHM O=C1OCCN1c1cccc(CNc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000738319962 598745489 /nfs/dbraw/zinc/74/54/89/598745489.db2.gz QIOQIMOGGYKFQE-UHFFFAOYSA-N -1 3 370.800 3.089 20 0 FGADHM O=C(C[C@H]1CCc2ccccc2C1)OCc1cc(-c2nnn[n-]2)ccc1F ZINC000737820429 598750912 /nfs/dbraw/zinc/75/09/12/598750912.db2.gz RLVYQAMDOWVUDQ-ZDUSSCGKSA-N -1 3 366.396 3.244 20 0 FGADHM O=C(C[C@H]1CCc2ccccc2C1)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000737820429 598750913 /nfs/dbraw/zinc/75/09/13/598750913.db2.gz RLVYQAMDOWVUDQ-ZDUSSCGKSA-N -1 3 366.396 3.244 20 0 FGADHM O=C(C=CC1CCOCC1)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000737795714 598752612 /nfs/dbraw/zinc/75/26/12/598752612.db2.gz LCJJOAGOYNPAIW-SREVYHEPSA-N -1 3 373.482 3.118 20 0 FGADHM O=C(/C=C\C1CCOCC1)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000737795714 598752613 /nfs/dbraw/zinc/75/26/13/598752613.db2.gz LCJJOAGOYNPAIW-SREVYHEPSA-N -1 3 373.482 3.118 20 0 FGADHM Cc1ccccc1-n1cc(C(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)cn1 ZINC000737416070 598761984 /nfs/dbraw/zinc/76/19/84/598761984.db2.gz WRWTWKCFIAWBAE-CQSZACIVSA-N -1 3 374.404 3.279 20 0 FGADHM Cc1ccccc1-n1cc(C(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)cn1 ZINC000737416070 598761985 /nfs/dbraw/zinc/76/19/85/598761985.db2.gz WRWTWKCFIAWBAE-CQSZACIVSA-N -1 3 374.404 3.279 20 0 FGADHM CCN(C(=O)C=Cc1cnc(C)s1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736503694 598762980 /nfs/dbraw/zinc/76/29/80/598762980.db2.gz ZTJWWJRRYWLKDL-BZYZDCJZSA-N -1 3 368.466 3.255 20 0 FGADHM CCN(C(=O)C=Cc1cnc(C)s1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736503694 598762982 /nfs/dbraw/zinc/76/29/82/598762982.db2.gz ZTJWWJRRYWLKDL-BZYZDCJZSA-N -1 3 368.466 3.255 20 0 FGADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCC2)[C@@H]1CCc2ccccc21 ZINC000738206920 598791175 /nfs/dbraw/zinc/79/11/75/598791175.db2.gz ICIFHMRRTFPPEE-GFCCVEGCSA-N -1 3 351.435 3.085 20 0 FGADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCC2)[C@@H]1CCc2ccccc21 ZINC000738206920 598791176 /nfs/dbraw/zinc/79/11/76/598791176.db2.gz ICIFHMRRTFPPEE-GFCCVEGCSA-N -1 3 351.435 3.085 20 0 FGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)CO[C@H]1CCC[C@@H](C)C1 ZINC000736264741 598791310 /nfs/dbraw/zinc/79/13/10/598791310.db2.gz XSSAOAGSKDILEG-HIFRSBDPSA-N -1 3 373.457 3.188 20 0 FGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)CO[C@H]1CCC[C@@H](C)C1 ZINC000736264741 598791311 /nfs/dbraw/zinc/79/13/11/598791311.db2.gz XSSAOAGSKDILEG-HIFRSBDPSA-N -1 3 373.457 3.188 20 0 FGADHM Clc1ccc(NCCCn2cnc3ccccc32)c(-c2nnn[n-]2)c1 ZINC000737574671 598791713 /nfs/dbraw/zinc/79/17/13/598791713.db2.gz NVWFZLRBQXISAG-UHFFFAOYSA-N -1 3 353.817 3.372 20 0 FGADHM Clc1ccc(NCCCn2cnc3ccccc32)c(-c2nn[n-]n2)c1 ZINC000737574671 598791714 /nfs/dbraw/zinc/79/17/14/598791714.db2.gz NVWFZLRBQXISAG-UHFFFAOYSA-N -1 3 353.817 3.372 20 0 FGADHM CC[C@H](OC1CCCC1)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736375594 598804198 /nfs/dbraw/zinc/80/41/98/598804198.db2.gz IKUQGBLEEGDHHC-AWEZNQCLSA-N -1 3 360.462 3.100 20 0 FGADHM CC[C@H](OC1CCCC1)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736375594 598804199 /nfs/dbraw/zinc/80/41/99/598804199.db2.gz IKUQGBLEEGDHHC-AWEZNQCLSA-N -1 3 360.462 3.100 20 0 FGADHM CC(=CC(=O)Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000735446601 598806995 /nfs/dbraw/zinc/80/69/95/598806995.db2.gz BLRJUWCNVPFNAH-YPKPFQOOSA-N -1 3 371.404 3.094 20 0 FGADHM CC(C)CN(C(=O)[C@@H]1COc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000735819566 598822384 /nfs/dbraw/zinc/82/23/84/598822384.db2.gz XXYFYHBUMDKCDG-QGZVFWFLSA-N -1 3 363.421 3.032 20 0 FGADHM CC(C)CN(C(=O)[C@@H]1COc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000735819566 598822385 /nfs/dbraw/zinc/82/23/85/598822385.db2.gz XXYFYHBUMDKCDG-QGZVFWFLSA-N -1 3 363.421 3.032 20 0 FGADHM O=C(Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1)N1CCCC1 ZINC000823357439 599301067 /nfs/dbraw/zinc/30/10/67/599301067.db2.gz VOGNBCBDIRYCGA-UHFFFAOYSA-N -1 3 368.372 3.426 20 0 FGADHM O=C(Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1)N1CCCC1 ZINC000823357439 599301069 /nfs/dbraw/zinc/30/10/69/599301069.db2.gz VOGNBCBDIRYCGA-UHFFFAOYSA-N -1 3 368.372 3.426 20 0 FGADHM CN(C(=O)CCc1ncc(-c2ccccc2)o1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736733294 599304174 /nfs/dbraw/zinc/30/41/74/599304174.db2.gz RYRJADUPXXKGLD-UHFFFAOYSA-N -1 3 374.404 3.117 20 0 FGADHM CN(C(=O)CCc1ncc(-c2ccccc2)o1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736733294 599304177 /nfs/dbraw/zinc/30/41/77/599304177.db2.gz RYRJADUPXXKGLD-UHFFFAOYSA-N -1 3 374.404 3.117 20 0 FGADHM CC(C)(CNc1nc2c(cc1-c1nnn[n-]1)CCC2)c1cccc(F)c1 ZINC000735670941 599305708 /nfs/dbraw/zinc/30/57/08/599305708.db2.gz HPTSYKDZTWMGDS-UHFFFAOYSA-N -1 3 352.417 3.279 20 0 FGADHM CC(C)(CNc1nc2c(cc1-c1nn[n-]n1)CCC2)c1cccc(F)c1 ZINC000735670941 599305710 /nfs/dbraw/zinc/30/57/10/599305710.db2.gz HPTSYKDZTWMGDS-UHFFFAOYSA-N -1 3 352.417 3.279 20 0 FGADHM Cc1sc(-c2ccco2)nc1C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737563732 599306364 /nfs/dbraw/zinc/30/63/64/599306364.db2.gz SQVMXQMMGHGDPF-UHFFFAOYSA-N -1 3 366.406 3.168 20 0 FGADHM Cc1sc(-c2ccco2)nc1C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737563732 599306367 /nfs/dbraw/zinc/30/63/67/599306367.db2.gz SQVMXQMMGHGDPF-UHFFFAOYSA-N -1 3 366.406 3.168 20 0 FGADHM c1ccc(-c2nnn[n-]2)c(OCc2cccc(-c3nc(CC4CC4)no3)c2)c1 ZINC000823751615 599310509 /nfs/dbraw/zinc/31/05/09/599310509.db2.gz MYHWJWLTULQTAK-UHFFFAOYSA-N -1 3 374.404 3.448 20 0 FGADHM c1ccc(-c2nn[n-]n2)c(OCc2cccc(-c3nc(CC4CC4)no3)c2)c1 ZINC000823751615 599310510 /nfs/dbraw/zinc/31/05/10/599310510.db2.gz MYHWJWLTULQTAK-UHFFFAOYSA-N -1 3 374.404 3.448 20 0 FGADHM c1cc(-c2nc(CC3CC3)no2)ccc1Oc1ccc(-c2nnn[n-]2)cn1 ZINC000823738342 599310539 /nfs/dbraw/zinc/31/05/39/599310539.db2.gz RNWTXLGYKFIILO-UHFFFAOYSA-N -1 3 361.365 3.057 20 0 FGADHM c1cc(-c2nc(CC3CC3)no2)ccc1Oc1ccc(-c2nn[n-]n2)cn1 ZINC000823738342 599310542 /nfs/dbraw/zinc/31/05/42/599310542.db2.gz RNWTXLGYKFIILO-UHFFFAOYSA-N -1 3 361.365 3.057 20 0 FGADHM C[C@@H](SCc1cn(-c2ccccc2)nn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736192830 599325514 /nfs/dbraw/zinc/32/55/14/599325514.db2.gz MPVHJECYHBRLDI-CYBMUJFWSA-N -1 3 363.450 3.442 20 0 FGADHM C[C@@H](SCc1cn(-c2ccccc2)nn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736192830 599325515 /nfs/dbraw/zinc/32/55/15/599325515.db2.gz MPVHJECYHBRLDI-CYBMUJFWSA-N -1 3 363.450 3.442 20 0 FGADHM C[C@@H](S[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736188036 599327344 /nfs/dbraw/zinc/32/73/44/599327344.db2.gz HILJKYVMUVPMBW-CXAGYDPISA-N -1 3 365.462 3.466 20 0 FGADHM C[C@@H](S[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736188036 599327346 /nfs/dbraw/zinc/32/73/46/599327346.db2.gz HILJKYVMUVPMBW-CXAGYDPISA-N -1 3 365.462 3.466 20 0 FGADHM Cc1ccc(Br)cc1NCCOc1cccc(-c2nnn[n-]2)c1 ZINC000737306301 599329339 /nfs/dbraw/zinc/32/93/39/599329339.db2.gz QIZVSHJAKQHXSC-UHFFFAOYSA-N -1 3 374.242 3.429 20 0 FGADHM Cc1ccc(Br)cc1NCCOc1cccc(-c2nn[n-]n2)c1 ZINC000737306301 599329340 /nfs/dbraw/zinc/32/93/40/599329340.db2.gz QIZVSHJAKQHXSC-UHFFFAOYSA-N -1 3 374.242 3.429 20 0 FGADHM C[C@@H](Nc1cnn(C(C)(C)C)c(=O)c1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000820462130 599354781 /nfs/dbraw/zinc/35/47/81/599354781.db2.gz VJCNAFFKPAPFEC-SNVBAGLBSA-N -1 3 373.848 3.005 20 0 FGADHM C[C@@H](Nc1cnn(C(C)(C)C)c(=O)c1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000820462130 599354782 /nfs/dbraw/zinc/35/47/82/599354782.db2.gz VJCNAFFKPAPFEC-SNVBAGLBSA-N -1 3 373.848 3.005 20 0 FGADHM FC(F)(F)c1cc(N2CCC(OCC3CC3)CC2)ccc1-c1nnn[n-]1 ZINC000822723893 599359094 /nfs/dbraw/zinc/35/90/94/599359094.db2.gz SAFJCTMZRAMELW-UHFFFAOYSA-N -1 3 367.375 3.281 20 0 FGADHM FC(F)(F)c1cc(N2CCC(OCC3CC3)CC2)ccc1-c1nn[n-]n1 ZINC000822723893 599359097 /nfs/dbraw/zinc/35/90/97/599359097.db2.gz SAFJCTMZRAMELW-UHFFFAOYSA-N -1 3 367.375 3.281 20 0 FGADHM C[C@@H](CC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2)n1cccc1 ZINC000735977689 599368936 /nfs/dbraw/zinc/36/89/36/599368936.db2.gz QRQJZGWUUOCQTJ-NSHDSACASA-N -1 3 356.455 3.198 20 0 FGADHM C[C@@H](CC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2)n1cccc1 ZINC000735977689 599368939 /nfs/dbraw/zinc/36/89/39/599368939.db2.gz QRQJZGWUUOCQTJ-NSHDSACASA-N -1 3 356.455 3.198 20 0 FGADHM CCC(=CC(=O)OCC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000825029081 607371918 /nfs/dbraw/zinc/37/19/18/607371918.db2.gz MRFGVGZCLPXMHG-OWBHPGMISA-N -1 3 362.389 3.086 20 0 FGADHM CCC(=CC(=O)OCC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000825029081 607371920 /nfs/dbraw/zinc/37/19/20/607371920.db2.gz MRFGVGZCLPXMHG-OWBHPGMISA-N -1 3 362.389 3.086 20 0 FGADHM Cc1cc(C)cc(NC(=O)COc2c(C)cc(-c3nn[n-]n3)cc2C)c1 ZINC000822196417 599389449 /nfs/dbraw/zinc/38/94/49/599389449.db2.gz IQYNDLJRZHUFMW-UHFFFAOYSA-N -1 3 351.410 3.118 20 0 FGADHM C[C@H](C(=O)OCC(=O)c1cccc(-c2nnn[n-]2)c1)c1cccc(Cl)c1 ZINC000824051784 607374052 /nfs/dbraw/zinc/37/40/52/607374052.db2.gz DVHCKWOMWGUKNP-NSHDSACASA-N -1 3 370.796 3.050 20 0 FGADHM C[C@H](C(=O)OCC(=O)c1cccc(-c2nn[n-]n2)c1)c1cccc(Cl)c1 ZINC000824051784 607374055 /nfs/dbraw/zinc/37/40/55/607374055.db2.gz DVHCKWOMWGUKNP-NSHDSACASA-N -1 3 370.796 3.050 20 0 FGADHM CN(CCCOc1ccccc1)c1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000736798397 599406977 /nfs/dbraw/zinc/40/69/77/599406977.db2.gz YOBMHDNZNODSBB-UHFFFAOYSA-N -1 3 360.421 3.320 20 0 FGADHM CN(CCCOc1ccccc1)c1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000736798397 599406978 /nfs/dbraw/zinc/40/69/78/599406978.db2.gz YOBMHDNZNODSBB-UHFFFAOYSA-N -1 3 360.421 3.320 20 0 FGADHM CC[C@@H](Cc1ccccc1)N(C)C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000820913471 599409418 /nfs/dbraw/zinc/40/94/18/599409418.db2.gz GKRHUBKZXNZTLM-SFHVURJKSA-N -1 3 364.453 3.029 20 0 FGADHM CC[C@@H](Cc1ccccc1)N(C)C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000820913471 599409421 /nfs/dbraw/zinc/40/94/21/599409421.db2.gz GKRHUBKZXNZTLM-SFHVURJKSA-N -1 3 364.453 3.029 20 0 FGADHM C[C@H](NC(=O)N[C@@H](C)c1cc(F)ccc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000820351449 599416710 /nfs/dbraw/zinc/41/67/10/599416710.db2.gz PEPNRRVWYWANQI-QWRGUYRKSA-N -1 3 372.379 3.266 20 0 FGADHM C[C@H](NC(=O)N[C@@H](C)c1cc(F)ccc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000820351449 599416713 /nfs/dbraw/zinc/41/67/13/599416713.db2.gz PEPNRRVWYWANQI-QWRGUYRKSA-N -1 3 372.379 3.266 20 0 FGADHM CCC[C@@H](NC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccn1 ZINC000821023005 599436443 /nfs/dbraw/zinc/43/64/43/599436443.db2.gz VEBSJSIRRCWMNJ-CXAGYDPISA-N -1 3 365.441 3.163 20 0 FGADHM CCC[C@@H](NC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccn1 ZINC000821023005 599436447 /nfs/dbraw/zinc/43/64/47/599436447.db2.gz VEBSJSIRRCWMNJ-CXAGYDPISA-N -1 3 365.441 3.163 20 0 FGADHM C[C@H](NC(=O)N[C@H]1C[C@H]1C1CCCCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820356878 599447038 /nfs/dbraw/zinc/44/70/38/599447038.db2.gz BRFQFNPKTACPII-ZLIFDBKOSA-N -1 3 354.458 3.196 20 0 FGADHM C[C@H](NC(=O)N[C@H]1C[C@H]1C1CCCCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820356878 599447039 /nfs/dbraw/zinc/44/70/39/599447039.db2.gz BRFQFNPKTACPII-ZLIFDBKOSA-N -1 3 354.458 3.196 20 0 FGADHM CC[C@H](NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F)c1ccc(C)cc1 ZINC000820920106 599459017 /nfs/dbraw/zinc/45/90/17/599459017.db2.gz KPPOTQUVKYLTGO-KRWDZBQOSA-N -1 3 368.416 3.265 20 0 FGADHM CC[C@H](NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F)c1ccc(C)cc1 ZINC000820920106 599459019 /nfs/dbraw/zinc/45/90/19/599459019.db2.gz KPPOTQUVKYLTGO-KRWDZBQOSA-N -1 3 368.416 3.265 20 0 FGADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)N1CCC[C@H]1c1ccccc1 ZINC000823234796 599459629 /nfs/dbraw/zinc/45/96/29/599459629.db2.gz OFIKPIFGDLDDQV-KRWDZBQOSA-N -1 3 366.400 3.053 20 0 FGADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)N1CCC[C@H]1c1ccccc1 ZINC000823234796 599459630 /nfs/dbraw/zinc/45/96/30/599459630.db2.gz OFIKPIFGDLDDQV-KRWDZBQOSA-N -1 3 366.400 3.053 20 0 FGADHM CC(C)(NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1cccc(F)c1 ZINC000735671791 599465170 /nfs/dbraw/zinc/46/51/70/599465170.db2.gz IYSPMQPEOVWGQQ-ZHACJKMWSA-N -1 3 351.385 3.071 20 0 FGADHM CC(C)(NC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1cccc(F)c1 ZINC000735671791 599465172 /nfs/dbraw/zinc/46/51/72/599465172.db2.gz IYSPMQPEOVWGQQ-ZHACJKMWSA-N -1 3 351.385 3.071 20 0 FGADHM C[C@@H](CN(C)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000820252758 599473400 /nfs/dbraw/zinc/47/34/00/599473400.db2.gz DEVDUSHOXRFLIT-GJZGRUSLSA-N -1 3 364.453 3.373 20 0 FGADHM C[C@@H](CN(C)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000820252758 599473403 /nfs/dbraw/zinc/47/34/03/599473403.db2.gz DEVDUSHOXRFLIT-GJZGRUSLSA-N -1 3 364.453 3.373 20 0 FGADHM O=C(CN1CCCCC[C@@H]1c1ccco1)Nc1sccc1-c1nnn[n-]1 ZINC000737871911 599478645 /nfs/dbraw/zinc/47/86/45/599478645.db2.gz DJLKYRMVZJHCQF-CYBMUJFWSA-N -1 3 372.454 3.077 20 0 FGADHM O=C(CN1CCCCC[C@@H]1c1ccco1)Nc1sccc1-c1nn[n-]n1 ZINC000737871911 599478646 /nfs/dbraw/zinc/47/86/46/599478646.db2.gz DJLKYRMVZJHCQF-CYBMUJFWSA-N -1 3 372.454 3.077 20 0 FGADHM CC[C@@H](C)NC(=O)c1cccc(CNc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000820875871 599479903 /nfs/dbraw/zinc/47/99/03/599479903.db2.gz HTMTURQQCNDAQL-GFCCVEGCSA-N -1 3 368.416 3.146 20 0 FGADHM CC[C@@H](C)NC(=O)c1cccc(CNc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000820875871 599479906 /nfs/dbraw/zinc/47/99/06/599479906.db2.gz HTMTURQQCNDAQL-GFCCVEGCSA-N -1 3 368.416 3.146 20 0 FGADHM C[C@H](NC(=O)N(C)[C@@H](C)c1cccs1)c1cccc(-c2nnn[n-]2)c1 ZINC000820339456 599482189 /nfs/dbraw/zinc/48/21/89/599482189.db2.gz CJMYLVCANFSHNQ-RYUDHWBXSA-N -1 3 356.455 3.392 20 0 FGADHM C[C@H](NC(=O)N(C)[C@@H](C)c1cccs1)c1cccc(-c2nn[n-]n2)c1 ZINC000820339456 599482191 /nfs/dbraw/zinc/48/21/91/599482191.db2.gz CJMYLVCANFSHNQ-RYUDHWBXSA-N -1 3 356.455 3.392 20 0 FGADHM Cc1cccc2c1CC[C@@H]2NC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822340830 599485233 /nfs/dbraw/zinc/48/52/33/599485233.db2.gz JXKMQTZTYHRUPQ-ACJLOTCBSA-N -1 3 362.437 3.223 20 0 FGADHM Cc1cccc2c1CC[C@@H]2NC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822340830 599485235 /nfs/dbraw/zinc/48/52/35/599485235.db2.gz JXKMQTZTYHRUPQ-ACJLOTCBSA-N -1 3 362.437 3.223 20 0 FGADHM CC(C)OCc1cccc(NCc2cnc3ccc(-c4nnn[n-]4)cn23)c1 ZINC000735904409 599485645 /nfs/dbraw/zinc/48/56/45/599485645.db2.gz ONIVAUHFOFJJIM-UHFFFAOYSA-N -1 3 363.425 3.052 20 0 FGADHM CC(C)OCc1cccc(NCc2cnc3ccc(-c4nn[n-]n4)cn23)c1 ZINC000735904409 599485647 /nfs/dbraw/zinc/48/56/47/599485647.db2.gz ONIVAUHFOFJJIM-UHFFFAOYSA-N -1 3 363.425 3.052 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCCCC(F)(F)F ZINC000821105215 599486873 /nfs/dbraw/zinc/48/68/73/599486873.db2.gz ZAULJZJTAVQKBB-UHFFFAOYSA-N -1 3 370.379 3.131 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCCC(F)(F)F ZINC000821105215 599486874 /nfs/dbraw/zinc/48/68/74/599486874.db2.gz ZAULJZJTAVQKBB-UHFFFAOYSA-N -1 3 370.379 3.131 20 0 FGADHM Clc1cccc(-c2nnn[n-]2)c1NCc1ccn(-c2ccccc2)n1 ZINC000822585584 599489343 /nfs/dbraw/zinc/48/93/43/599489343.db2.gz GDOQIQCXGPAWBI-UHFFFAOYSA-N -1 3 351.801 3.318 20 0 FGADHM Clc1cccc(-c2nn[n-]n2)c1NCc1ccn(-c2ccccc2)n1 ZINC000822585584 599489345 /nfs/dbraw/zinc/48/93/45/599489345.db2.gz GDOQIQCXGPAWBI-UHFFFAOYSA-N -1 3 351.801 3.318 20 0 FGADHM CC(C)CN(C(=O)CC[C@H]1CC[C@H](C)O1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820081699 599493666 /nfs/dbraw/zinc/49/36/66/599493666.db2.gz RHWPMIFXDVSUBD-WMLDXEAASA-N -1 3 357.458 3.203 20 0 FGADHM CC(C)CN(C(=O)CC[C@H]1CC[C@H](C)O1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820081699 599493668 /nfs/dbraw/zinc/49/36/68/599493668.db2.gz RHWPMIFXDVSUBD-WMLDXEAASA-N -1 3 357.458 3.203 20 0 FGADHM Cc1occc1CN(C)c1c(-c2nnn[n-]2)cnc2c(C)cc(F)cc21 ZINC000822553814 599493703 /nfs/dbraw/zinc/49/37/03/599493703.db2.gz RNEULBVHMIFURH-UHFFFAOYSA-N -1 3 352.373 3.400 20 0 FGADHM Cc1occc1CN(C)c1c(-c2nn[n-]n2)cnc2c(C)cc(F)cc21 ZINC000822553814 599493704 /nfs/dbraw/zinc/49/37/04/599493704.db2.gz RNEULBVHMIFURH-UHFFFAOYSA-N -1 3 352.373 3.400 20 0 FGADHM Cc1ccsc1CNc1c(-c2nnn[n-]2)cnc2c(F)ccc(F)c21 ZINC000822379152 599496017 /nfs/dbraw/zinc/49/60/17/599496017.db2.gz LINLHKMUQFDTJD-UHFFFAOYSA-N -1 3 358.377 3.097 20 0 FGADHM Cc1ccsc1CNc1c(-c2nn[n-]n2)cnc2c(F)ccc(F)c21 ZINC000822379152 599496019 /nfs/dbraw/zinc/49/60/19/599496019.db2.gz LINLHKMUQFDTJD-UHFFFAOYSA-N -1 3 358.377 3.097 20 0 FGADHM Cc1[nH]c2ccc(C(=O)N[C@H](C)c3cccc(-c4nnn[n-]4)c3)cc2c1C ZINC000822009872 599501232 /nfs/dbraw/zinc/50/12/32/599501232.db2.gz FXNFZBJGSJYKGU-CYBMUJFWSA-N -1 3 360.421 3.456 20 0 FGADHM Cc1[nH]c2ccc(C(=O)N[C@H](C)c3cccc(-c4nn[n-]n4)c3)cc2c1C ZINC000822009872 599501233 /nfs/dbraw/zinc/50/12/33/599501233.db2.gz FXNFZBJGSJYKGU-CYBMUJFWSA-N -1 3 360.421 3.456 20 0 FGADHM COc1cccc2cc(C(=O)N[C@@H](C)c3cccc(-c4nnn[n-]4)c3)oc21 ZINC000821877755 599505248 /nfs/dbraw/zinc/50/52/48/599505248.db2.gz UBCIEUPQUUKDOX-NSHDSACASA-N -1 3 363.377 3.113 20 0 FGADHM COc1cccc2cc(C(=O)N[C@@H](C)c3cccc(-c4nn[n-]n4)c3)oc21 ZINC000821877755 599505251 /nfs/dbraw/zinc/50/52/51/599505251.db2.gz UBCIEUPQUUKDOX-NSHDSACASA-N -1 3 363.377 3.113 20 0 FGADHM C[C@H](NC(=O)c1cc(-c2ccccc2)on1)c1cccc(-c2nnn[n-]2)c1 ZINC000820385435 599514089 /nfs/dbraw/zinc/51/40/89/599514089.db2.gz RXYIZRYCKJTGCM-LBPRGKRZSA-N -1 3 360.377 3.013 20 0 FGADHM C[C@H](NC(=O)c1cc(-c2ccccc2)on1)c1cccc(-c2nn[n-]n2)c1 ZINC000820385435 599514093 /nfs/dbraw/zinc/51/40/93/599514093.db2.gz RXYIZRYCKJTGCM-LBPRGKRZSA-N -1 3 360.377 3.013 20 0 FGADHM C[C@@H](NC(=O)[C@@H](C)Cc1ccccc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000820300598 599515795 /nfs/dbraw/zinc/51/57/95/599515795.db2.gz RHJHBAHDBMOSFZ-QWHCGFSZSA-N -1 3 353.401 3.062 20 0 FGADHM C[C@@H](NC(=O)[C@@H](C)Cc1ccccc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000820300598 599515797 /nfs/dbraw/zinc/51/57/97/599515797.db2.gz RHJHBAHDBMOSFZ-QWHCGFSZSA-N -1 3 353.401 3.062 20 0 FGADHM CCn1cc(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c2ccccc21 ZINC000821565057 599517573 /nfs/dbraw/zinc/51/75/73/599517573.db2.gz BMXRUZXSPQEKRX-CYBMUJFWSA-N -1 3 360.421 3.332 20 0 FGADHM CCn1cc(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c2ccccc21 ZINC000821565057 599517574 /nfs/dbraw/zinc/51/75/74/599517574.db2.gz BMXRUZXSPQEKRX-CYBMUJFWSA-N -1 3 360.421 3.332 20 0 FGADHM C[C@H](CSc1ccccc1)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820295175 599530367 /nfs/dbraw/zinc/53/03/67/599530367.db2.gz ZVVRAWPLTDRIIM-KGLIPLIRSA-N -1 3 367.478 3.472 20 0 FGADHM C[C@H](CSc1ccccc1)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820295175 599530368 /nfs/dbraw/zinc/53/03/68/599530368.db2.gz ZVVRAWPLTDRIIM-KGLIPLIRSA-N -1 3 367.478 3.472 20 0 FGADHM C[C@H](NC(=O)C(C)(C)Oc1ccc(F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820316645 599535888 /nfs/dbraw/zinc/53/58/88/599535888.db2.gz WMADQVUBYCPYQO-LBPRGKRZSA-N -1 3 369.400 3.041 20 0 FGADHM C[C@H](NC(=O)C(C)(C)Oc1ccc(F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820316645 599535891 /nfs/dbraw/zinc/53/58/91/599535891.db2.gz WMADQVUBYCPYQO-LBPRGKRZSA-N -1 3 369.400 3.041 20 0 FGADHM C[C@@H](Cc1ccccc1F)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000736057599 599538972 /nfs/dbraw/zinc/53/89/72/599538972.db2.gz HXIYAFYPJULXEJ-JTQLQIEISA-N -1 3 371.441 3.373 20 0 FGADHM C[C@@H](Cc1ccccc1F)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000736057599 599538977 /nfs/dbraw/zinc/53/89/77/599538977.db2.gz HXIYAFYPJULXEJ-JTQLQIEISA-N -1 3 371.441 3.373 20 0 FGADHM C[C@@H](NC(=O)[C@@H]1SCCc2sccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820322370 599540980 /nfs/dbraw/zinc/54/09/80/599540980.db2.gz ROSDAIBHNPWDOQ-MEBBXXQBSA-N -1 3 371.491 3.136 20 0 FGADHM C[C@@H](NC(=O)[C@@H]1SCCc2sccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820322370 599540982 /nfs/dbraw/zinc/54/09/82/599540982.db2.gz ROSDAIBHNPWDOQ-MEBBXXQBSA-N -1 3 371.491 3.136 20 0 FGADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)C1(c2cccs2)CCCCC1 ZINC000738112190 599543428 /nfs/dbraw/zinc/54/34/28/599543428.db2.gz MRVPNUUQHSUDQG-UHFFFAOYSA-N -1 3 367.478 3.447 20 0 FGADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)C1(c2cccs2)CCCCC1 ZINC000738112190 599543430 /nfs/dbraw/zinc/54/34/30/599543430.db2.gz MRVPNUUQHSUDQG-UHFFFAOYSA-N -1 3 367.478 3.447 20 0 FGADHM C[C@@H](Cc1ccccc1F)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736058077 599544062 /nfs/dbraw/zinc/54/40/62/599544062.db2.gz JKMBVPAQVJQTCH-LBPRGKRZSA-N -1 3 370.432 3.380 20 0 FGADHM C[C@@H](Cc1ccccc1F)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736058077 599544064 /nfs/dbraw/zinc/54/40/64/599544064.db2.gz JKMBVPAQVJQTCH-LBPRGKRZSA-N -1 3 370.432 3.380 20 0 FGADHM CC[C@H](C)[C@@H]1CCCCN1C(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000736330611 599548044 /nfs/dbraw/zinc/54/80/44/599548044.db2.gz MTRYZDHIUPFJHJ-LZWOXQAQSA-N -1 3 357.458 3.061 20 0 FGADHM CC[C@H](C)[C@@H]1CCCCN1C(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000736330611 599548047 /nfs/dbraw/zinc/54/80/47/599548047.db2.gz MTRYZDHIUPFJHJ-LZWOXQAQSA-N -1 3 357.458 3.061 20 0 FGADHM C[C@@H]1CCC[C@@H](C)N(C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)C1 ZINC000820689712 599549628 /nfs/dbraw/zinc/54/96/28/599549628.db2.gz BRZLBRLDWDRPLP-CHWSQXEVSA-N -1 3 359.478 3.466 20 0 FGADHM C[C@@H]1CCC[C@@H](C)N(C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)C1 ZINC000820689712 599549629 /nfs/dbraw/zinc/54/96/29/599549629.db2.gz BRZLBRLDWDRPLP-CHWSQXEVSA-N -1 3 359.478 3.466 20 0 FGADHM Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)c2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000737327781 599558280 /nfs/dbraw/zinc/55/82/80/599558280.db2.gz ANYJIHNPJOCEPS-KDOFPFPSSA-N -1 3 362.437 3.184 20 0 FGADHM Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000737327781 599558281 /nfs/dbraw/zinc/55/82/81/599558281.db2.gz ANYJIHNPJOCEPS-KDOFPFPSSA-N -1 3 362.437 3.184 20 0 FGADHM Cc1ccccc1-c1cnc(CN(C)Cc2cccc(-c3nn[n-]n3)c2)o1 ZINC000822341497 599560021 /nfs/dbraw/zinc/56/00/21/599560021.db2.gz YPCMIENYVUHBCZ-UHFFFAOYSA-N -1 3 360.421 3.462 20 0 FGADHM COc1cccc(N2CCC[C@@H](Nc3ccc(F)cc3-c3nnn[n-]3)C2)c1 ZINC000821873144 599561672 /nfs/dbraw/zinc/56/16/72/599561672.db2.gz RVLMKNUCJFBDPS-CQSZACIVSA-N -1 3 368.416 3.095 20 0 FGADHM COc1cccc(N2CCC[C@@H](Nc3ccc(F)cc3-c3nn[n-]n3)C2)c1 ZINC000821873144 599561674 /nfs/dbraw/zinc/56/16/74/599561674.db2.gz RVLMKNUCJFBDPS-CQSZACIVSA-N -1 3 368.416 3.095 20 0 FGADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N[C@@H]1CSc2ccccc21 ZINC000822334903 599562156 /nfs/dbraw/zinc/56/21/56/599562156.db2.gz HTCKEFGCDYKOLF-OAHLLOKOSA-N -1 3 360.446 3.404 20 0 FGADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N[C@@H]1CSc2ccccc21 ZINC000822334903 599562159 /nfs/dbraw/zinc/56/21/59/599562159.db2.gz HTCKEFGCDYKOLF-OAHLLOKOSA-N -1 3 360.446 3.404 20 0 FGADHM CN(Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)[C@@H]1CCc2ccccc21 ZINC000821618237 599562542 /nfs/dbraw/zinc/56/25/42/599562542.db2.gz WTEXLVGDBRYUON-QGZVFWFLSA-N -1 3 373.420 3.036 20 0 FGADHM CC(C)(C)[C@H]1OCCC[C@H]1CNc1c(-c2nnn[n-]2)cnc2ccccc21 ZINC000819908126 599563376 /nfs/dbraw/zinc/56/33/76/599563376.db2.gz WOYLGEYNKFILPB-UGSOOPFHSA-N -1 3 366.469 3.090 20 0 FGADHM CC(C)(C)[C@H]1OCCC[C@H]1CNc1c(-c2nn[n-]n2)cnc2ccccc21 ZINC000819908126 599563377 /nfs/dbraw/zinc/56/33/77/599563377.db2.gz WOYLGEYNKFILPB-UGSOOPFHSA-N -1 3 366.469 3.090 20 0 FGADHM C[C@H](OC(=O)[C@H]1C[C@]12CCc1ccccc12)c1cccc(-c2nnn[n-]2)c1 ZINC000820489025 599621214 /nfs/dbraw/zinc/62/12/14/599621214.db2.gz YEDHXIDSJUZANU-NVMYHKGLSA-N -1 3 360.417 3.375 20 0 FGADHM C[C@H](OC(=O)[C@H]1C[C@]12CCc1ccccc12)c1cccc(-c2nn[n-]n2)c1 ZINC000820489025 599621215 /nfs/dbraw/zinc/62/12/15/599621215.db2.gz YEDHXIDSJUZANU-NVMYHKGLSA-N -1 3 360.417 3.375 20 0 FGADHM CCO[C@H](C)c1ncc(C(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)s1 ZINC000821346210 599621553 /nfs/dbraw/zinc/62/15/53/599621553.db2.gz DUFMRPUPJRYWTL-GHMZBOCLSA-N -1 3 373.438 3.339 20 0 FGADHM CCO[C@H](C)c1ncc(C(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)s1 ZINC000821346210 599621554 /nfs/dbraw/zinc/62/15/54/599621554.db2.gz DUFMRPUPJRYWTL-GHMZBOCLSA-N -1 3 373.438 3.339 20 0 FGADHM CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)OCc1cccc(-c2nnn[n-]2)c1 ZINC000820939033 599623081 /nfs/dbraw/zinc/62/30/81/599623081.db2.gz PBHTXPGLAMTWPQ-JQFCIGGWSA-N -1 3 358.442 3.284 20 0 FGADHM CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)OCc1cccc(-c2nn[n-]n2)c1 ZINC000820939033 599623082 /nfs/dbraw/zinc/62/30/82/599623082.db2.gz PBHTXPGLAMTWPQ-JQFCIGGWSA-N -1 3 358.442 3.284 20 0 FGADHM C[C@@H](CCc1ccccc1F)C(=O)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000820254190 599623249 /nfs/dbraw/zinc/62/32/49/599623249.db2.gz NGBFHNKZWOMEIL-ZDUSSCGKSA-N -1 3 354.385 3.318 20 0 FGADHM C[C@@H](CCc1ccccc1F)C(=O)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000820254190 599623250 /nfs/dbraw/zinc/62/32/50/599623250.db2.gz NGBFHNKZWOMEIL-ZDUSSCGKSA-N -1 3 354.385 3.318 20 0 FGADHM Cn1c(C(=O)OCc2cccc(-c3nnn[n-]3)c2)ccc1-c1ccccc1 ZINC000822595611 599623921 /nfs/dbraw/zinc/62/39/21/599623921.db2.gz AMQASBDLXQCLLF-UHFFFAOYSA-N -1 3 359.389 3.229 20 0 FGADHM Cn1c(C(=O)OCc2cccc(-c3nn[n-]n3)c2)ccc1-c1ccccc1 ZINC000822595611 599623922 /nfs/dbraw/zinc/62/39/22/599623922.db2.gz AMQASBDLXQCLLF-UHFFFAOYSA-N -1 3 359.389 3.229 20 0 FGADHM Cc1ccc(C[C@@H](OC(=O)Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)cc1 ZINC000822234593 599626218 /nfs/dbraw/zinc/62/62/18/599626218.db2.gz AQJHWAYJGHAXNH-LJQANCHMSA-N -1 3 362.433 3.282 20 0 FGADHM Cc1ccc(C[C@@H](OC(=O)Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)cc1 ZINC000822234593 599626219 /nfs/dbraw/zinc/62/62/19/599626219.db2.gz AQJHWAYJGHAXNH-LJQANCHMSA-N -1 3 362.433 3.282 20 0 FGADHM CO[C@@H](C)CCOC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821673427 599626661 /nfs/dbraw/zinc/62/66/61/599626661.db2.gz AUNWOGPOWDJKOW-ZDUSSCGKSA-N -1 3 367.409 3.192 20 0 FGADHM CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC000820938890 599630192 /nfs/dbraw/zinc/63/01/92/599630192.db2.gz OELXENLUMQAPJC-NOLJZWGESA-N -1 3 373.457 3.188 20 0 FGADHM CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC000820938890 599630193 /nfs/dbraw/zinc/63/01/93/599630193.db2.gz OELXENLUMQAPJC-NOLJZWGESA-N -1 3 373.457 3.188 20 0 FGADHM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC000820938891 599630263 /nfs/dbraw/zinc/63/02/63/599630263.db2.gz OELXENLUMQAPJC-XPKDYRNWSA-N -1 3 373.457 3.188 20 0 FGADHM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC000820938891 599630264 /nfs/dbraw/zinc/63/02/64/599630264.db2.gz OELXENLUMQAPJC-XPKDYRNWSA-N -1 3 373.457 3.188 20 0 FGADHM O=C(CCc1ccco1)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000822982653 599632475 /nfs/dbraw/zinc/63/24/75/599632475.db2.gz GCQAPMDXSIBENY-UHFFFAOYSA-N -1 3 351.288 3.050 20 0 FGADHM O=C(CCc1ccco1)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000822982653 599632476 /nfs/dbraw/zinc/63/24/76/599632476.db2.gz GCQAPMDXSIBENY-UHFFFAOYSA-N -1 3 351.288 3.050 20 0 FGADHM C[C@H](NC(=O)c1ccc(Cl)nc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000820397445 599635044 /nfs/dbraw/zinc/63/50/44/599635044.db2.gz OZJRQXQQLNGKFL-QMMMGPOBSA-N -1 3 363.208 3.060 20 0 FGADHM C[C@H](NC(=O)c1ccc(Cl)nc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000820397445 599635045 /nfs/dbraw/zinc/63/50/45/599635045.db2.gz OZJRQXQQLNGKFL-QMMMGPOBSA-N -1 3 363.208 3.060 20 0 FGADHM Cc1ccccc1-c1cnc(COC(=O)c2sccc2-c2nnn[n-]2)o1 ZINC000822344894 599658826 /nfs/dbraw/zinc/65/88/26/599658826.db2.gz CPCTUYYFDXCPPY-UHFFFAOYSA-N -1 3 367.390 3.249 20 0 FGADHM CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000819908182 599667812 /nfs/dbraw/zinc/66/78/12/599667812.db2.gz XFZLGZHNJOFXPH-GDBMZVCRSA-N -1 3 374.464 3.410 20 0 FGADHM CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000819908182 599667813 /nfs/dbraw/zinc/66/78/13/599667813.db2.gz XFZLGZHNJOFXPH-GDBMZVCRSA-N -1 3 374.464 3.410 20 0 FGADHM CCCCC[C@H](C)CC(=O)O[C@@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000821049296 599668244 /nfs/dbraw/zinc/66/82/44/599668244.db2.gz KILYKXISBLCWKE-KBPBESRZSA-N -1 3 373.457 3.343 20 0 FGADHM CCCCC[C@H](C)CC(=O)O[C@@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000821049296 599668245 /nfs/dbraw/zinc/66/82/45/599668245.db2.gz KILYKXISBLCWKE-KBPBESRZSA-N -1 3 373.457 3.343 20 0 FGADHM C[C@H](NC(=O)NC(C)(C)c1ccc(F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820352284 599673747 /nfs/dbraw/zinc/67/37/47/599673747.db2.gz SWZCIHPJMAKVRG-LBPRGKRZSA-N -1 3 368.416 3.301 20 0 FGADHM C[C@H](NC(=O)NC(C)(C)c1ccc(F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820352284 599673748 /nfs/dbraw/zinc/67/37/48/599673748.db2.gz SWZCIHPJMAKVRG-LBPRGKRZSA-N -1 3 368.416 3.301 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NCc1ncc(-c2ccccc2F)o1 ZINC000821765899 599691543 /nfs/dbraw/zinc/69/15/43/599691543.db2.gz MUYRUQVZYRXFJL-UHFFFAOYSA-N -1 3 366.356 3.282 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NCc1ncc(-c2ccccc2F)o1 ZINC000821765899 599691544 /nfs/dbraw/zinc/69/15/44/599691544.db2.gz MUYRUQVZYRXFJL-UHFFFAOYSA-N -1 3 366.356 3.282 20 0 FGADHM CSc1ccc(F)cc1CNC(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000821983969 599693104 /nfs/dbraw/zinc/69/31/04/599693104.db2.gz KZKCQAYMCJOJHB-UHFFFAOYSA-N -1 3 372.429 3.358 20 0 FGADHM CSc1ccc(F)cc1CNC(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000821983969 599693105 /nfs/dbraw/zinc/69/31/05/599693105.db2.gz KZKCQAYMCJOJHB-UHFFFAOYSA-N -1 3 372.429 3.358 20 0 FGADHM C[C@H](Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000820455885 599694124 /nfs/dbraw/zinc/69/41/24/599694124.db2.gz OEOYVPKZXHGKSG-AWEZNQCLSA-N -1 3 364.453 3.001 20 0 FGADHM C[C@H](Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000820455885 599694125 /nfs/dbraw/zinc/69/41/25/599694125.db2.gz OEOYVPKZXHGKSG-AWEZNQCLSA-N -1 3 364.453 3.001 20 0 FGADHM O=C(Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1)C1=CCCCO1 ZINC000823350590 599698344 /nfs/dbraw/zinc/69/83/44/599698344.db2.gz SWQJWDFIFKULND-UHFFFAOYSA-N -1 3 363.377 3.292 20 0 FGADHM O=C(Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)C1=CCCCO1 ZINC000823350590 599698345 /nfs/dbraw/zinc/69/83/45/599698345.db2.gz SWQJWDFIFKULND-UHFFFAOYSA-N -1 3 363.377 3.292 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCc1ccc(OC(F)F)cc1 ZINC000826252798 607388469 /nfs/dbraw/zinc/38/84/69/607388469.db2.gz RRRZOCXJBJDCNJ-UHFFFAOYSA-N -1 3 360.320 3.134 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCc1ccc(OC(F)F)cc1 ZINC000826252798 607388471 /nfs/dbraw/zinc/38/84/71/607388471.db2.gz RRRZOCXJBJDCNJ-UHFFFAOYSA-N -1 3 360.320 3.134 20 0 FGADHM Cc1cc(F)ccc1NC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826268507 607390832 /nfs/dbraw/zinc/39/08/32/607390832.db2.gz AHAMSAKJDLMBOB-UHFFFAOYSA-N -1 3 352.373 3.125 20 0 FGADHM Cc1cc(F)ccc1NC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826268507 607390834 /nfs/dbraw/zinc/39/08/34/607390834.db2.gz AHAMSAKJDLMBOB-UHFFFAOYSA-N -1 3 352.373 3.125 20 0 FGADHM CN(C[C@H]1CCN(Cc2ccc(F)cc2C(=O)[O-])C1)C(=O)OC(C)(C)C ZINC000737413299 599793210 /nfs/dbraw/zinc/79/32/10/599793210.db2.gz KRKIBJDCRHUWRC-CYBMUJFWSA-N -1 3 366.433 3.213 20 0 FGADHM COc1cc(C(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)ccc1F ZINC000821703141 607397508 /nfs/dbraw/zinc/39/75/08/607397508.db2.gz QSWJPVJOKWGKNJ-UHFFFAOYSA-N -1 3 371.372 3.054 20 0 FGADHM COc1cc(C(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)ccc1F ZINC000821703141 607397509 /nfs/dbraw/zinc/39/75/09/607397509.db2.gz QSWJPVJOKWGKNJ-UHFFFAOYSA-N -1 3 371.372 3.054 20 0 FGADHM Cc1ccc(F)cc1C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000822241534 607401385 /nfs/dbraw/zinc/40/13/85/607401385.db2.gz YXWAIQNGMJDRCR-UHFFFAOYSA-N -1 3 355.373 3.354 20 0 FGADHM Cc1ccc(F)cc1C(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000822241534 607401386 /nfs/dbraw/zinc/40/13/86/607401386.db2.gz YXWAIQNGMJDRCR-UHFFFAOYSA-N -1 3 355.373 3.354 20 0 FGADHM CSc1cc(C(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)ccn1 ZINC000821977648 607401604 /nfs/dbraw/zinc/40/16/04/607401604.db2.gz IOVRHUPEAMMGEO-UHFFFAOYSA-N -1 3 370.438 3.023 20 0 FGADHM CSc1cc(C(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)ccn1 ZINC000821977648 607401605 /nfs/dbraw/zinc/40/16/05/607401605.db2.gz IOVRHUPEAMMGEO-UHFFFAOYSA-N -1 3 370.438 3.023 20 0 FGADHM COc1cccc(F)c1C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000821872096 607402473 /nfs/dbraw/zinc/40/24/73/607402473.db2.gz ISPLTRUGZJZGTH-UHFFFAOYSA-N -1 3 371.372 3.054 20 0 FGADHM COc1cccc(F)c1C(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000821872096 607402476 /nfs/dbraw/zinc/40/24/76/607402476.db2.gz ISPLTRUGZJZGTH-UHFFFAOYSA-N -1 3 371.372 3.054 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)CCc1cccc(F)c1F ZINC000826253383 607405430 /nfs/dbraw/zinc/40/54/30/607405430.db2.gz NXDXWSFZUVGSCN-UHFFFAOYSA-N -1 3 358.348 3.129 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)CCc1cccc(F)c1F ZINC000826253383 607405432 /nfs/dbraw/zinc/40/54/32/607405432.db2.gz NXDXWSFZUVGSCN-UHFFFAOYSA-N -1 3 358.348 3.129 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)[C@@H](C)OC1CCCCCC1 ZINC000826252837 607406571 /nfs/dbraw/zinc/40/65/71/607406571.db2.gz UHOLWEAYWWRWOI-CQSZACIVSA-N -1 3 358.442 3.346 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)[C@@H](C)OC1CCCCCC1 ZINC000826252837 607406573 /nfs/dbraw/zinc/40/65/73/607406573.db2.gz UHOLWEAYWWRWOI-CQSZACIVSA-N -1 3 358.442 3.346 20 0 FGADHM Cc1[nH]c2ccccc2c1CC(=O)OCc1ccc(-c2nnn[n-]2)cc1C ZINC000826254140 607406683 /nfs/dbraw/zinc/40/66/83/607406683.db2.gz WNBFXUMIWGJQTB-UHFFFAOYSA-N -1 3 361.405 3.251 20 0 FGADHM Cc1[nH]c2ccccc2c1CC(=O)OCc1ccc(-c2nn[n-]n2)cc1C ZINC000826254140 607406685 /nfs/dbraw/zinc/40/66/85/607406685.db2.gz WNBFXUMIWGJQTB-UHFFFAOYSA-N -1 3 361.405 3.251 20 0 FGADHM Cc1ncc(C=CC(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)s1 ZINC000822466869 607407375 /nfs/dbraw/zinc/40/73/75/607407375.db2.gz DWZZBRYXYPVNCK-FNORWQNLSA-N -1 3 370.438 3.071 20 0 FGADHM Cc1ncc(C=CC(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)s1 ZINC000822466869 607407376 /nfs/dbraw/zinc/40/73/76/607407376.db2.gz DWZZBRYXYPVNCK-FNORWQNLSA-N -1 3 370.438 3.071 20 0 FGADHM C[C@H](CN(CC(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1)C1CC1)C(=O)[O-] ZINC000736578518 599950970 /nfs/dbraw/zinc/95/09/70/599950970.db2.gz LQROGWINTRWRCA-GHMZBOCLSA-N -1 3 373.280 3.356 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)C[C@H](C)c1ccccc1 ZINC000821741765 607408726 /nfs/dbraw/zinc/40/87/26/607408726.db2.gz RQBYTJIDXRAGET-ZDUSSCGKSA-N -1 3 352.394 3.112 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)C[C@H](C)c1ccccc1 ZINC000821741765 607408728 /nfs/dbraw/zinc/40/87/28/607408728.db2.gz RQBYTJIDXRAGET-ZDUSSCGKSA-N -1 3 352.394 3.112 20 0 FGADHM CCC(CC)n1ccc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2C)n1 ZINC000825114065 607409260 /nfs/dbraw/zinc/40/92/60/607409260.db2.gz IXLNELRDJRHFLE-UHFFFAOYSA-N -1 3 354.414 3.090 20 0 FGADHM CCC(CC)n1ccc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2C)n1 ZINC000825114065 607409262 /nfs/dbraw/zinc/40/92/62/607409262.db2.gz IXLNELRDJRHFLE-UHFFFAOYSA-N -1 3 354.414 3.090 20 0 FGADHM C[C@H](c1ccc(C(=O)[O-])o1)N(C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000736713333 599966247 /nfs/dbraw/zinc/96/62/47/599966247.db2.gz BBNNFYICCUNMDD-KGLIPLIRSA-N -1 3 364.467 3.106 20 0 FGADHM Cc1cccc2c(CC(=O)OCc3ccc(-c4nnn[n-]4)cc3C)c[nH]c21 ZINC000826253971 607411509 /nfs/dbraw/zinc/41/15/09/607411509.db2.gz NIBWKFMLYCGYPP-UHFFFAOYSA-N -1 3 361.405 3.251 20 0 FGADHM Cc1cccc2c(CC(=O)OCc3ccc(-c4nn[n-]n4)cc3C)c[nH]c21 ZINC000826253971 607411510 /nfs/dbraw/zinc/41/15/10/607411510.db2.gz NIBWKFMLYCGYPP-UHFFFAOYSA-N -1 3 361.405 3.251 20 0 FGADHM COc1ccc([C@@H](NCC(=O)Nc2ccccc2C(=O)[O-])C(C)C)cc1 ZINC000737969353 600048504 /nfs/dbraw/zinc/04/85/04/600048504.db2.gz FYJLHKXLQHNKDY-IBGZPJMESA-N -1 3 356.422 3.319 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)c1cccc(C(F)F)c1 ZINC000821745387 607417424 /nfs/dbraw/zinc/41/74/24/607417424.db2.gz SXZNKWGPTKKRMP-UHFFFAOYSA-N -1 3 360.320 3.170 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)c1cccc(C(F)F)c1 ZINC000821745387 607417426 /nfs/dbraw/zinc/41/74/26/607417426.db2.gz SXZNKWGPTKKRMP-UHFFFAOYSA-N -1 3 360.320 3.170 20 0 FGADHM C[C@@H](NC(=O)OC(C)(C)C)C1CCN(Cc2occc2C(=O)[O-])CC1 ZINC000736649936 600092212 /nfs/dbraw/zinc/09/22/12/600092212.db2.gz KPZJNXWTQUFTGC-GFCCVEGCSA-N -1 3 352.431 3.103 20 0 FGADHM Cc1c(C(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)cnc2ccccc12 ZINC000826234202 607422248 /nfs/dbraw/zinc/42/22/48/607422248.db2.gz MAPPQCMDKCOQRO-UHFFFAOYSA-N -1 3 370.416 3.142 20 0 FGADHM Cc1c(C(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)cnc2ccccc12 ZINC000826234202 607422250 /nfs/dbraw/zinc/42/22/50/607422250.db2.gz MAPPQCMDKCOQRO-UHFFFAOYSA-N -1 3 370.416 3.142 20 0 FGADHM Cc1[nH]c2ccc(C(=O)NC3(c4cccc(-c5nnn[n-]5)c4)CC3)cc2c1C ZINC000826232750 607423969 /nfs/dbraw/zinc/42/39/69/607423969.db2.gz HCFLAMFWFDEMNE-UHFFFAOYSA-N -1 3 372.432 3.384 20 0 FGADHM Cc1[nH]c2ccc(C(=O)NC3(c4cccc(-c5nn[n-]n5)c4)CC3)cc2c1C ZINC000826232750 607423971 /nfs/dbraw/zinc/42/39/71/607423971.db2.gz HCFLAMFWFDEMNE-UHFFFAOYSA-N -1 3 372.432 3.384 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)[C@@H]1CCCc2sccc21 ZINC000821736416 607421092 /nfs/dbraw/zinc/42/10/92/607421092.db2.gz JEXCGFNSAUSMDJ-CQSZACIVSA-N -1 3 370.434 3.100 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)[C@@H]1CCCc2sccc21 ZINC000821736416 607421094 /nfs/dbraw/zinc/42/10/94/607421094.db2.gz JEXCGFNSAUSMDJ-CQSZACIVSA-N -1 3 370.434 3.100 20 0 FGADHM CC(C)Oc1ccc(NC(=O)N2C[C@@H]3CCCC[C@H]3C2)cc1-c1nnn[n-]1 ZINC000820164088 607427152 /nfs/dbraw/zinc/42/71/52/607427152.db2.gz CLEIKHTVTVSJFV-KBPBESRZSA-N -1 3 370.457 3.308 20 0 FGADHM CC(C)Oc1ccc(NC(=O)N2C[C@@H]3CCCC[C@H]3C2)cc1-c1nn[n-]n1 ZINC000820164088 607427154 /nfs/dbraw/zinc/42/71/54/607427154.db2.gz CLEIKHTVTVSJFV-KBPBESRZSA-N -1 3 370.457 3.308 20 0 FGADHM CN(C)C[C@H](NC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1)c1ccccc1 ZINC000737360973 600289619 /nfs/dbraw/zinc/28/96/19/600289619.db2.gz QIPYYSUDZGFYLH-INIZCTEOSA-N -1 3 361.829 3.463 20 0 FGADHM Cc1cccc(OCCCCC(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826300527 607439336 /nfs/dbraw/zinc/43/93/36/607439336.db2.gz YFDZATRJMNZSCS-UHFFFAOYSA-N -1 3 365.437 3.387 20 0 FGADHM Cc1cccc(OCCCCC(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826300527 607439338 /nfs/dbraw/zinc/43/93/38/607439338.db2.gz YFDZATRJMNZSCS-UHFFFAOYSA-N -1 3 365.437 3.387 20 0 FGADHM CC[C@H](C)Oc1ccc(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000825075518 607439787 /nfs/dbraw/zinc/43/97/87/607439787.db2.gz OYPJABVARPRZDJ-ZDUSSCGKSA-N -1 3 351.410 3.321 20 0 FGADHM CC[C@H](C)Oc1ccc(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825075518 607439788 /nfs/dbraw/zinc/43/97/88/607439788.db2.gz OYPJABVARPRZDJ-ZDUSSCGKSA-N -1 3 351.410 3.321 20 0 FGADHM CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825154450 607440019 /nfs/dbraw/zinc/44/00/19/607440019.db2.gz PFWDLGRGWBABHI-JQFCIGGWSA-N -1 3 357.458 3.203 20 0 FGADHM CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825154450 607440021 /nfs/dbraw/zinc/44/00/21/607440021.db2.gz PFWDLGRGWBABHI-JQFCIGGWSA-N -1 3 357.458 3.203 20 0 FGADHM CCCCN(C)C(=O)C1CCN([C@@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC000736992128 600400329 /nfs/dbraw/zinc/40/03/29/600400329.db2.gz XFHSAZDAOSJNED-QGZVFWFLSA-N -1 3 366.889 3.436 20 0 FGADHM CCc1ccc([C@@H]2CCCN2C[C@@H](O)COc2ccc(C(=O)[O-])cc2)o1 ZINC000577499620 600410835 /nfs/dbraw/zinc/41/08/35/600410835.db2.gz DHHMTNOYSQKSJT-QAPCUYQASA-N -1 3 359.422 3.117 20 0 FGADHM CN(C(=O)c1cccc(OC2CCCC2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825829296 607441918 /nfs/dbraw/zinc/44/19/18/607441918.db2.gz BIXWBQCLFDTMSB-UHFFFAOYSA-N -1 3 363.421 3.465 20 0 FGADHM CN(C(=O)c1cccc(OC2CCCC2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825829296 607441920 /nfs/dbraw/zinc/44/19/20/607441920.db2.gz BIXWBQCLFDTMSB-UHFFFAOYSA-N -1 3 363.421 3.465 20 0 FGADHM O=C(COc1cc(Cl)ccc1Cl)Nc1cccc(-c2nnn[n-]2)c1 ZINC000020497445 607453885 /nfs/dbraw/zinc/45/38/85/607453885.db2.gz KKKFUHCIUHWARF-UHFFFAOYSA-N -1 3 364.192 3.191 20 0 FGADHM O=C(COc1cc(Cl)ccc1Cl)Nc1cccc(-c2nn[n-]n2)c1 ZINC000020497445 607453886 /nfs/dbraw/zinc/45/38/86/607453886.db2.gz KKKFUHCIUHWARF-UHFFFAOYSA-N -1 3 364.192 3.191 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1cc(C(C)(C)C)ccc1O ZINC000826249790 607453616 /nfs/dbraw/zinc/45/36/16/607453616.db2.gz VCJJRIQLMOUMJE-UHFFFAOYSA-N -1 3 351.410 3.431 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1cc(C(C)(C)C)ccc1O ZINC000826249790 607453617 /nfs/dbraw/zinc/45/36/17/607453617.db2.gz VCJJRIQLMOUMJE-UHFFFAOYSA-N -1 3 351.410 3.431 20 0 FGADHM O=C([O-])CC1CCN(C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)CC1 ZINC000738563818 600566538 /nfs/dbraw/zinc/56/65/38/600566538.db2.gz RBQKGHLKCJTGHA-IBGZPJMESA-N -1 3 373.497 3.110 20 0 FGADHM CC(C)[C@H]1CCCC[C@H]1NC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000824215904 607455155 /nfs/dbraw/zinc/45/51/55/607455155.db2.gz NSOQTTBTTOASCX-IAGOWNOFSA-N -1 3 368.485 3.370 20 0 FGADHM CC(C)[C@H]1CCCC[C@H]1NC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000824215904 607455156 /nfs/dbraw/zinc/45/51/56/607455156.db2.gz NSOQTTBTTOASCX-IAGOWNOFSA-N -1 3 368.485 3.370 20 0 FGADHM C[C@@H](C(=O)N(CCC(=O)[O-])Cc1cccc(F)c1F)N1CCCCCC1 ZINC000825977746 600813099 /nfs/dbraw/zinc/81/30/99/600813099.db2.gz NXYHVNLZOOANPF-AWEZNQCLSA-N -1 3 368.424 3.033 20 0 FGADHM C[C@@H]1C[C@@H](c2ccccc2F)N(C[C@H](O)COc2ccc(C(=O)[O-])cc2)C1 ZINC000828191996 600840740 /nfs/dbraw/zinc/84/07/40/600840740.db2.gz IUKCADWFBVSSCV-IIMJZQEZSA-N -1 3 373.424 3.347 20 0 FGADHM Cc1ccc(NC(=O)[C@H]2CCCN([C@H](C)c3ccc(C(=O)[O-])o3)C2)nc1 ZINC000832940666 601169656 /nfs/dbraw/zinc/16/96/56/601169656.db2.gz BPDKFTRLYWMHLE-KGLIPLIRSA-N -1 3 357.410 3.093 20 0 FGADHM COc1ccc(CN2CCCC[C@@H]2c2nc(C)cs2)cc1-c1nnn[n-]1 ZINC000826194709 607493593 /nfs/dbraw/zinc/49/35/93/607493593.db2.gz TZFRXWYFISNEPS-OAHLLOKOSA-N -1 3 370.482 3.367 20 0 FGADHM COc1ccc(CN2CCCC[C@@H]2c2nc(C)cs2)cc1-c1nn[n-]n1 ZINC000826194709 607493594 /nfs/dbraw/zinc/49/35/94/607493594.db2.gz TZFRXWYFISNEPS-OAHLLOKOSA-N -1 3 370.482 3.367 20 0 FGADHM Clc1cc(-c2nnn[n-]2)cnc1N(Cc1ccccc1)C[C@H]1CCCO1 ZINC000822564224 607494846 /nfs/dbraw/zinc/49/48/46/607494846.db2.gz WNHWERPUAYLYJZ-OAHLLOKOSA-N -1 3 370.844 3.101 20 0 FGADHM Clc1cc(-c2nn[n-]n2)cnc1N(Cc1ccccc1)C[C@H]1CCCO1 ZINC000822564224 607494848 /nfs/dbraw/zinc/49/48/48/607494848.db2.gz WNHWERPUAYLYJZ-OAHLLOKOSA-N -1 3 370.844 3.101 20 0 FGADHM C[C@H](CSCc1ccccc1)C(=O)OCc1cccc(-c2nnn[n-]2)c1 ZINC000820293223 607495800 /nfs/dbraw/zinc/49/58/00/607495800.db2.gz IYNZPVYOQSEXEO-CQSZACIVSA-N -1 3 368.462 3.479 20 0 FGADHM C[C@H](CSCc1ccccc1)C(=O)OCc1cccc(-c2nn[n-]n2)c1 ZINC000820293223 607495803 /nfs/dbraw/zinc/49/58/03/607495803.db2.gz IYNZPVYOQSEXEO-CQSZACIVSA-N -1 3 368.462 3.479 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc2nc(C)ccc2c1 ZINC000821412610 607500713 /nfs/dbraw/zinc/50/07/13/607500713.db2.gz PUMXKQXOQUPSBX-UHFFFAOYSA-N -1 3 374.404 3.374 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc2nc(C)ccc2c1 ZINC000821412610 607500714 /nfs/dbraw/zinc/50/07/14/607500714.db2.gz PUMXKQXOQUPSBX-UHFFFAOYSA-N -1 3 374.404 3.374 20 0 FGADHM C[C@H](C(=O)[O-])[C@@H](NC(=O)c1cccc(CN2CCCC2)c1)c1ccccc1 ZINC000826045643 601394123 /nfs/dbraw/zinc/39/41/23/601394123.db2.gz WESDGPQKJSNVAU-OXJNMPFZSA-N -1 3 366.461 3.474 20 0 FGADHM O=C([O-])c1ccc(OC[C@@H](O)CN2CCCC[C@@H]2c2ccc(F)cc2)cc1 ZINC000833321888 601452299 /nfs/dbraw/zinc/45/22/99/601452299.db2.gz QWMASIFWDUARMF-AZUAARDMSA-N -1 3 373.424 3.491 20 0 FGADHM C[C@H](C(=O)Nc1ccccc1Cc1ccccc1)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000828424897 601529848 /nfs/dbraw/zinc/52/98/48/601529848.db2.gz URINSKWOWMZRRY-GPMSIDNRSA-N -1 3 366.461 3.257 20 0 FGADHM COc1ccc(-n2c(CN3C[C@H](C)[C@@H](C(=O)[O-])C3)nc3ccccc32)cc1 ZINC000832138403 601530592 /nfs/dbraw/zinc/53/05/92/601530592.db2.gz HIHVCXVZECBFGE-YOEHRIQHSA-N -1 3 365.433 3.187 20 0 FGADHM C[C@@H]1CN(CCOc2ccc(Cl)cc2Br)C[C@H]1C(=O)[O-] ZINC000235368329 601533122 /nfs/dbraw/zinc/53/31/22/601533122.db2.gz AEHXCEFVRMXNMZ-MWLCHTKSSA-N -1 3 362.651 3.134 20 0 FGADHM CCOC(=O)c1c(C)c2ccccc2nc1CN[C@](C)(CC)CC(=O)[O-] ZINC000829873405 601556515 /nfs/dbraw/zinc/55/65/15/601556515.db2.gz PMAFTANUVYBTHJ-HXUWFJFHSA-N -1 3 358.438 3.453 20 0 FGADHM Cc1sc(C(=O)[O-])cc1CN1CCC(NC(=O)c2ccccc2C)CC1 ZINC000832976590 601619149 /nfs/dbraw/zinc/61/91/49/601619149.db2.gz TWLUBNPFDJISPF-UHFFFAOYSA-N -1 3 372.490 3.458 20 0 FGADHM CCc1ccc([C@H](C)NC(=O)CN[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])cc1 ZINC000830239041 601650648 /nfs/dbraw/zinc/65/06/48/601650648.db2.gz VNAWYTLXGQIVNM-CKJXQJPGSA-N -1 3 368.477 3.478 20 0 FGADHM CN(C(=O)OC(C)(C)C)C1CCN(Cc2ccsc2C(=O)[O-])CC1 ZINC000830519815 601824560 /nfs/dbraw/zinc/82/45/60/601824560.db2.gz WSHVTKKTHZAKTM-UHFFFAOYSA-N -1 3 354.472 3.278 20 0 FGADHM O=C([O-])CCC1CCN(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)CC1 ZINC000659394612 601824809 /nfs/dbraw/zinc/82/48/09/601824809.db2.gz UFGPMODGSAMMTB-IBGZPJMESA-N -1 3 373.497 3.110 20 0 FGADHM COc1ccc(CSCc2cccc(NC(C)=O)c2)cc1-c1nnn[n-]1 ZINC000826208063 607534697 /nfs/dbraw/zinc/53/46/97/607534697.db2.gz QZUQEQRVULOKRZ-UHFFFAOYSA-N -1 3 369.450 3.267 20 0 FGADHM COc1ccc(CSCc2cccc(NC(C)=O)c2)cc1-c1nn[n-]n1 ZINC000826208063 607534699 /nfs/dbraw/zinc/53/46/99/607534699.db2.gz QZUQEQRVULOKRZ-UHFFFAOYSA-N -1 3 369.450 3.267 20 0 FGADHM C[C@H](CN1CCCCC1)NC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000827456164 601977721 /nfs/dbraw/zinc/97/77/21/601977721.db2.gz RNEQJITZUGIZJR-LLVKDONJSA-N -1 3 373.375 3.400 20 0 FGADHM COc1ccc(CSc2ccc3c(c2)OCCCO3)cc1-c1nnn[n-]1 ZINC000826207934 607541099 /nfs/dbraw/zinc/54/10/99/607541099.db2.gz LEUXIHNBTZCOIP-UHFFFAOYSA-N -1 3 370.434 3.329 20 0 FGADHM COc1ccc(CSc2ccc3c(c2)OCCCO3)cc1-c1nn[n-]n1 ZINC000826207934 607541100 /nfs/dbraw/zinc/54/11/00/607541100.db2.gz LEUXIHNBTZCOIP-UHFFFAOYSA-N -1 3 370.434 3.329 20 0 FGADHM COc1ccc(COc2ccccc2Br)cc1-c1nnn[n-]1 ZINC000826207281 607540344 /nfs/dbraw/zinc/54/03/44/607540344.db2.gz HZPMQMNJOJTKCG-UHFFFAOYSA-N -1 3 361.199 3.217 20 0 FGADHM COc1ccc(COc2ccccc2Br)cc1-c1nn[n-]n1 ZINC000826207281 607540346 /nfs/dbraw/zinc/54/03/46/607540346.db2.gz HZPMQMNJOJTKCG-UHFFFAOYSA-N -1 3 361.199 3.217 20 0 FGADHM COC(=O)[C@H]1CC12CCN([C@@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1)CC2 ZINC000831101584 602042172 /nfs/dbraw/zinc/04/21/72/602042172.db2.gz WWIXVLKUPIWGAG-ZIAGYGMSSA-N -1 3 372.248 3.394 20 0 FGADHM COc1ccc(CSc2nc3cc(Cl)cnc3[nH]2)cc1-c1nnn[n-]1 ZINC000826207893 607541161 /nfs/dbraw/zinc/54/11/61/607541161.db2.gz JSCIYZYSHTVBJX-UHFFFAOYSA-N -1 3 373.829 3.092 20 0 FGADHM COc1ccc(CSc2nc3cc(Cl)cnc3[nH]2)cc1-c1nn[n-]n1 ZINC000826207893 607541162 /nfs/dbraw/zinc/54/11/62/607541162.db2.gz JSCIYZYSHTVBJX-UHFFFAOYSA-N -1 3 373.829 3.092 20 0 FGADHM O=C([O-])N1CCC[C@H]1CNCc1cccc(NC(=O)c2cccc(F)c2)c1 ZINC000740471157 602051213 /nfs/dbraw/zinc/05/12/13/602051213.db2.gz UZSYUHFCGMWTEQ-SFHVURJKSA-N -1 3 371.412 3.310 20 0 FGADHM CC[C@](C)(CC(=O)[O-])NCc1csc(-c2ccc(C(=O)OC)cc2)n1 ZINC000828665352 602215974 /nfs/dbraw/zinc/21/59/74/602215974.db2.gz RHCCXWXDPKKPAC-GOSISDBHSA-N -1 3 362.451 3.330 20 0 FGADHM C[C@H](NC(=O)[O-])[C@@H]1CCCCN1Cc1ccc(OCc2nccn2C)cc1 ZINC000739005008 602259550 /nfs/dbraw/zinc/25/95/50/602259550.db2.gz VENMFQFJYVVPHW-YJBOKZPZSA-N -1 3 372.469 3.010 20 0 FGADHM C[C@@H]1CC[C@H](C)N1CC(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000828214121 602262967 /nfs/dbraw/zinc/26/29/67/602262967.db2.gz IOMULVJCWGUSAY-OKILXGFUSA-N -1 3 356.422 3.115 20 0 FGADHM O=C([O-])NC[C@H]1CCCCN1CCC(=O)Nc1c(Cl)cccc1Cl ZINC000740626267 602379058 /nfs/dbraw/zinc/37/90/58/602379058.db2.gz YBFFKTFNTJDSNP-LLVKDONJSA-N -1 3 374.268 3.444 20 0 FGADHM CCCC[C@H]1CCC[C@@H]1NC(=O)NCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000825267728 607564501 /nfs/dbraw/zinc/56/45/01/607564501.db2.gz LYGWIKGVURECRC-HOCLYGCPSA-N -1 3 372.473 3.033 20 0 FGADHM CCCC[C@H]1CCC[C@@H]1NC(=O)NCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000825267728 607564503 /nfs/dbraw/zinc/56/45/03/607564503.db2.gz LYGWIKGVURECRC-HOCLYGCPSA-N -1 3 372.473 3.033 20 0 FGADHM CN(C(=O)c1cc2ccccc2cc1NC(=O)[O-])[C@H]1CCN(C2CC2)C1 ZINC000739594099 602546856 /nfs/dbraw/zinc/54/68/56/602546856.db2.gz ZUOACZHERHFXKG-INIZCTEOSA-N -1 3 353.422 3.238 20 0 FGADHM CC[C@@H](SC)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000825159300 607577863 /nfs/dbraw/zinc/57/78/63/607577863.db2.gz NBSPBIPHYBXJEA-CQSZACIVSA-N -1 3 370.438 3.134 20 0 FGADHM CC[C@@H](SC)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000825159300 607577865 /nfs/dbraw/zinc/57/78/65/607577865.db2.gz NBSPBIPHYBXJEA-CQSZACIVSA-N -1 3 370.438 3.134 20 0 FGADHM C[C@@H](C(=O)N(CCN(C)C)c1ccccc1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823653592 602766341 /nfs/dbraw/zinc/76/63/41/602766341.db2.gz CDOZNWWNXOACSF-APWZRJJASA-N -1 3 369.465 3.226 20 0 FGADHM C[C@@H]1CN(Cc2ccc(OCc3cccnc3)cc2)CC[C@H]1NC(=O)[O-] ZINC000739190625 602784103 /nfs/dbraw/zinc/78/41/03/602784103.db2.gz OYWIWVLQJXFYRN-DNVCBOLYSA-N -1 3 355.438 3.139 20 0 FGADHM CC1CCN([C@@H](CNC(=O)CC(C)(C)NC(=O)[O-])c2cccs2)CC1 ZINC000739111461 602937914 /nfs/dbraw/zinc/93/79/14/602937914.db2.gz NLQXJBGURQUPOY-AWEZNQCLSA-N -1 3 367.515 3.074 20 0 FGADHM CN(C)C[C@H](NC(=O)c1ccc(NC(=O)[O-])cc1Cl)c1ccccc1 ZINC000739606346 603207746 /nfs/dbraw/zinc/20/77/46/603207746.db2.gz HIHWYUQXPNDBQC-INIZCTEOSA-N -1 3 361.829 3.463 20 0 FGADHM C[C@@H](C(=O)N1CCC[C@H]1c1cccs1)N(C)CC(C)(C)CNC(=O)[O-] ZINC000823670384 603626879 /nfs/dbraw/zinc/62/68/79/603626879.db2.gz VNCULGIHKLWQAO-KBPBESRZSA-N -1 3 367.515 3.026 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 ZINC000826244912 607653215 /nfs/dbraw/zinc/65/32/15/607653215.db2.gz HMTCLARGIBEULA-KRWDZBQOSA-N -1 3 373.420 3.029 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 ZINC000826244912 607653217 /nfs/dbraw/zinc/65/32/17/607653217.db2.gz HMTCLARGIBEULA-KRWDZBQOSA-N -1 3 373.420 3.029 20 0 FGADHM CCCOc1ccc([C@@H](C)NC(=O)c2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000825339202 607659245 /nfs/dbraw/zinc/65/92/45/607659245.db2.gz RHSGFUOHLYDDII-CQSZACIVSA-N -1 3 365.437 3.455 20 0 FGADHM CCCOc1ccc([C@@H](C)NC(=O)c2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000825339202 607659248 /nfs/dbraw/zinc/65/92/48/607659248.db2.gz RHSGFUOHLYDDII-CQSZACIVSA-N -1 3 365.437 3.455 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(Cc1ccco1)Cc1ccco1 ZINC000826243927 607660370 /nfs/dbraw/zinc/66/03/70/607660370.db2.gz AURFMUKEADQSPT-UHFFFAOYSA-N -1 3 363.377 3.204 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(Cc1ccco1)Cc1ccco1 ZINC000826243927 607660372 /nfs/dbraw/zinc/66/03/72/607660372.db2.gz AURFMUKEADQSPT-UHFFFAOYSA-N -1 3 363.377 3.204 20 0 FGADHM Cc1ccc(C(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)cc1NC(=O)[O-] ZINC000830205822 603967504 /nfs/dbraw/zinc/96/75/04/603967504.db2.gz TXBRHXLMGBSSSP-YJBOKZPZSA-N -1 3 367.449 3.478 20 0 FGADHM C[C@@H](NC1CCN(C(=O)[O-])CC1)c1ccccc1I ZINC000825479698 604261947 /nfs/dbraw/zinc/26/19/47/604261947.db2.gz PMOPSWNTHWISSI-SNVBAGLBSA-N -1 3 374.222 3.084 20 0 FGADHM Cc1c([C@@H](C)NC2CCN(C(=O)[O-])CC2)nnn1-c1ccc(Cl)cc1 ZINC000829858940 604262481 /nfs/dbraw/zinc/26/24/81/604262481.db2.gz GPBGTJWHSVYKJV-LLVKDONJSA-N -1 3 363.849 3.022 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NC(C)(C)c1ccc(Cl)cc1 ZINC000826245752 607683288 /nfs/dbraw/zinc/68/32/88/607683288.db2.gz GXWFWYQPRSJHRA-UHFFFAOYSA-N -1 3 355.829 3.494 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NC(C)(C)c1ccc(Cl)cc1 ZINC000826245752 607683290 /nfs/dbraw/zinc/68/32/90/607683290.db2.gz GXWFWYQPRSJHRA-UHFFFAOYSA-N -1 3 355.829 3.494 20 0 FGADHM C[C@H](CC(=O)N(C)Cc1ccccc1Cl)NCc1ccc(C(=O)[O-])o1 ZINC000827218741 604329591 /nfs/dbraw/zinc/32/95/91/604329591.db2.gz SFMJIQBFHVIWSA-GFCCVEGCSA-N -1 3 364.829 3.158 20 0 FGADHM Cc1c([C@H](C)NC2CCC(NC(=O)[O-])CC2)nnn1-c1ccc(C)cc1 ZINC000830171824 604353724 /nfs/dbraw/zinc/35/37/24/604353724.db2.gz YUNPNRXVQLMXAP-JEYLPNPQSA-N -1 3 357.458 3.114 20 0 FGADHM COc1ccc(Cl)cc1N(C)C(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000826208411 607689032 /nfs/dbraw/zinc/68/90/32/607689032.db2.gz JCPRSDCWVSOTPA-UHFFFAOYSA-N -1 3 357.801 3.114 20 0 FGADHM COc1ccc(Cl)cc1N(C)C(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000826208411 607689034 /nfs/dbraw/zinc/68/90/34/607689034.db2.gz JCPRSDCWVSOTPA-UHFFFAOYSA-N -1 3 357.801 3.114 20 0 FGADHM COc1ccc([C@@H](C)NC[C@@H](NC(=O)[O-])c2ccccc2)cc1NC(C)=O ZINC000829304192 604380329 /nfs/dbraw/zinc/38/03/29/604380329.db2.gz YDZFXNMNTWTYAZ-FZKQIMNGSA-N -1 3 371.437 3.313 20 0 FGADHM CC(C)N1CCN(c2cccc(NC(=O)[C@H]3CCC[C@@H](C(=O)[O-])C3)c2)CC1 ZINC000833499329 604505534 /nfs/dbraw/zinc/50/55/34/604505534.db2.gz NUEZYJUJYNTYDV-DLBZAZTESA-N -1 3 373.497 3.047 20 0 FGADHM C[C@H](Oc1ccc(CN2CCC([C@H](O)c3ccccc3)CC2)cc1)C(=O)[O-] ZINC000833539577 604525439 /nfs/dbraw/zinc/52/54/39/604525439.db2.gz HQCDIORJARIWBC-HRAATJIYSA-N -1 3 369.461 3.484 20 0 FGADHM C[C@H](C(=O)Nc1cccc(SCCC(=O)[O-])c1)N1CCCCCC1 ZINC000833407302 604573628 /nfs/dbraw/zinc/57/36/28/604573628.db2.gz BEUPHEUXLHDZHD-CQSZACIVSA-N -1 3 350.484 3.456 20 0 FGADHM CCN(C(=O)c1ccc(Cl)nc1C)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825386170 607705383 /nfs/dbraw/zinc/70/53/83/607705383.db2.gz ZRWWIBPPEPMHJD-LBPRGKRZSA-N -1 3 370.844 3.447 20 0 FGADHM CCN(C(=O)c1ccc(Cl)nc1C)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825386170 607705384 /nfs/dbraw/zinc/70/53/84/607705384.db2.gz ZRWWIBPPEPMHJD-LBPRGKRZSA-N -1 3 370.844 3.447 20 0 FGADHM O=C(Nc1ccc(OC2CCCC2)c(Cl)c1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826455120 607706709 /nfs/dbraw/zinc/70/67/09/607706709.db2.gz ZYBLNXPTXGKHHU-UHFFFAOYSA-N -1 3 372.816 3.422 20 0 FGADHM O=C(Nc1ccc(OC2CCCC2)c(Cl)c1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826455120 607706711 /nfs/dbraw/zinc/70/67/11/607706711.db2.gz ZYBLNXPTXGKHHU-UHFFFAOYSA-N -1 3 372.816 3.422 20 0 FGADHM Fc1cccc(F)c1-n1ccc(COc2ccc(-c3nnn[n-]3)c(F)c2)n1 ZINC000826373107 607712567 /nfs/dbraw/zinc/71/25/67/607712567.db2.gz ZHCHBWRUDCFZFM-UHFFFAOYSA-N -1 3 372.310 3.049 20 0 FGADHM Fc1cccc(F)c1-n1ccc(COc2ccc(-c3nn[n-]n3)c(F)c2)n1 ZINC000826373107 607712569 /nfs/dbraw/zinc/71/25/69/607712569.db2.gz ZHCHBWRUDCFZFM-UHFFFAOYSA-N -1 3 372.310 3.049 20 0 FGADHM CN(C(=O)Cc1ccc(NC(=O)[O-])cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000827782466 604899500 /nfs/dbraw/zinc/89/95/00/604899500.db2.gz VXPBKFBEEOJTBF-LJQANCHMSA-N -1 3 367.449 3.052 20 0 FGADHM C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1Cc1ccc(C(=O)[O-])s1 ZINC000833599665 604970441 /nfs/dbraw/zinc/97/04/41/604970441.db2.gz GKSHDHXSMZXKSR-NEPJUHHUSA-N -1 3 354.472 3.324 20 0 FGADHM C[C@@H](Oc1ccc(CNC2(c3cccc(F)c3)CCOCC2)cc1)C(=O)[O-] ZINC000833538719 605112478 /nfs/dbraw/zinc/11/24/78/605112478.db2.gz FLJNODKBYVEHQM-OAHLLOKOSA-N -1 3 373.424 3.473 20 0 FGADHM CN1CC[C@@H](NCc2ccc(C(=O)[O-])o2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000833697637 605120879 /nfs/dbraw/zinc/12/08/79/605120879.db2.gz HMGBHOIYCNVMGM-ZBFHGGJFSA-N -1 3 352.793 3.305 20 0 FGADHM C[C@@H]1CCCC[C@@H]1N(C)C(=O)CN[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000833609537 605179260 /nfs/dbraw/zinc/17/92/60/605179260.db2.gz ASSZMJNKLJGMPD-AYBZRNKSSA-N -1 3 360.498 3.465 20 0 FGADHM CC(C)(C)OC(=O)N1CC(CN[C@@H](C(=O)[O-])c2c(F)cccc2Cl)C1 ZINC000833432952 605360965 /nfs/dbraw/zinc/36/09/65/605360965.db2.gz RMZRBJFNQSAPHV-CQSZACIVSA-N -1 3 372.824 3.061 20 0 FGADHM O=C([O-])NCC1CCN(Cc2ccccc2OCc2cccnc2)CC1 ZINC000834225252 605488203 /nfs/dbraw/zinc/48/82/03/605488203.db2.gz JFBIYKZNHYLVDJ-UHFFFAOYSA-N -1 3 355.438 3.140 20 0 FGADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cc2cc3c(cc2OC(F)F)OCO3)C1 ZINC000833420461 605548970 /nfs/dbraw/zinc/54/89/70/605548970.db2.gz SEOPHDBDYKXIDA-GFCCVEGCSA-N -1 3 371.380 3.340 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CC[C@H]1c1cccc(F)c1 ZINC000826278170 607763002 /nfs/dbraw/zinc/76/30/02/607763002.db2.gz SPRFLTBQOYVHJS-INIZCTEOSA-N -1 3 352.373 3.293 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CC[C@H]1c1cccc(F)c1 ZINC000826278170 607763003 /nfs/dbraw/zinc/76/30/03/607763003.db2.gz SPRFLTBQOYVHJS-INIZCTEOSA-N -1 3 352.373 3.293 20 0 FGADHM O=C([O-])Nc1ccc2c(c1)CC[C@H]2NCc1ccc(C(=O)NC2CC2)cc1 ZINC000834262636 605592518 /nfs/dbraw/zinc/59/25/18/605592518.db2.gz MZMJYVXYHWEDQO-LJQANCHMSA-N -1 3 365.433 3.446 20 0 FGADHM O=C([O-])NCCCOC1CCN(C/C=C\c2ccc(Cl)cc2)CC1 ZINC000834238455 605671235 /nfs/dbraw/zinc/67/12/35/605671235.db2.gz MSBYKLQUYLXHCJ-IWQZZHSRSA-N -1 3 352.862 3.492 20 0 FGADHM O=C([O-])NCCCOC1CCN(Cc2cc3cc(F)ccc3o2)CC1 ZINC000834239070 605672646 /nfs/dbraw/zinc/67/26/46/605672646.db2.gz YABUQOBUSRSRBQ-UHFFFAOYSA-N -1 3 350.390 3.211 20 0 FGADHM C[C@H](C(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)C(F)(F)F ZINC000824046833 607770297 /nfs/dbraw/zinc/77/02/97/607770297.db2.gz VYXWEUPQBFCUJZ-SSDOTTSWSA-N -1 3 368.344 3.127 20 0 FGADHM O=C([O-])N[C@@H]1C[C@H](NCc2ccc(Cn3cccn3)cc2)c2ccccc21 ZINC000834159285 605789971 /nfs/dbraw/zinc/78/99/71/605789971.db2.gz RTBWUJCTNVKEKT-VQTJNVASSA-N -1 3 362.433 3.475 20 0 FGADHM COc1cc2c(cc1OC)CCN(Cc1cc(C(=O)[O-])ccc1F)CC2 ZINC000833730255 605830863 /nfs/dbraw/zinc/83/08/63/605830863.db2.gz PCVFBLFZZJKYJM-UHFFFAOYSA-N -1 3 359.397 3.142 20 0 FGADHM CC(C)CNC(=O)c1cccc(CN2CCC3(C2)CCN(C(=O)[O-])CC3)c1 ZINC000833796498 605898845 /nfs/dbraw/zinc/89/88/45/605898845.db2.gz MXYOFKBBKQNHLV-UHFFFAOYSA-N -1 3 373.497 3.038 20 0 FGADHM O=C(Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)C1=CCCCO1 ZINC000823350450 606018540 /nfs/dbraw/zinc/01/85/40/606018540.db2.gz NMDSZBYMQKZQDT-UHFFFAOYSA-N -1 3 363.377 3.292 20 0 FGADHM O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)C1=CCCCO1 ZINC000823350450 606018545 /nfs/dbraw/zinc/01/85/45/606018545.db2.gz NMDSZBYMQKZQDT-UHFFFAOYSA-N -1 3 363.377 3.292 20 0 FGADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)nc1)c1ccc(OCc2cccnc2)cc1 ZINC000820456318 606040748 /nfs/dbraw/zinc/04/07/48/606040748.db2.gz SJZUJVJEPFQEDJ-CQSZACIVSA-N -1 3 373.420 3.409 20 0 FGADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)nc1)c1ccc(OCc2cccnc2)cc1 ZINC000820456318 606040750 /nfs/dbraw/zinc/04/07/50/606040750.db2.gz SJZUJVJEPFQEDJ-CQSZACIVSA-N -1 3 373.420 3.409 20 0 FGADHM Brc1ccc2c(c1)CC[C@@H]2Nc1ccc(-c2nnn[n-]2)nc1 ZINC000819688099 606052898 /nfs/dbraw/zinc/05/28/98/606052898.db2.gz DBCSLGCMXIVZIU-ZDUSSCGKSA-N -1 3 357.215 3.124 20 0 FGADHM Brc1ccc2c(c1)CC[C@@H]2Nc1ccc(-c2nn[n-]n2)nc1 ZINC000819688099 606052902 /nfs/dbraw/zinc/05/29/02/606052902.db2.gz DBCSLGCMXIVZIU-ZDUSSCGKSA-N -1 3 357.215 3.124 20 0 FGADHM Cc1noc(C(F)F)c1C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000822520071 606055142 /nfs/dbraw/zinc/05/51/42/606055142.db2.gz QZVLRGOYPFIDGZ-UHFFFAOYSA-N -1 3 354.704 3.006 20 0 FGADHM Cc1noc(C(F)F)c1C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000822520071 606055144 /nfs/dbraw/zinc/05/51/44/606055144.db2.gz QZVLRGOYPFIDGZ-UHFFFAOYSA-N -1 3 354.704 3.006 20 0 FGADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)C1C(C)(C)C1(C)C ZINC000821699102 606055699 /nfs/dbraw/zinc/05/56/99/606055699.db2.gz BSYCGXXCQKLQSW-UHFFFAOYSA-N -1 3 350.806 3.116 20 0 FGADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)C1C(C)(C)C1(C)C ZINC000821699102 606055704 /nfs/dbraw/zinc/05/57/04/606055704.db2.gz BSYCGXXCQKLQSW-UHFFFAOYSA-N -1 3 350.806 3.116 20 0 FGADHM FC(F)(F)c1cccc(C2(CNc3ccc(-c4nnn[n-]4)nc3)CC2)c1 ZINC000822729171 606070223 /nfs/dbraw/zinc/07/02/23/606070223.db2.gz VCDIMIRMQWHGRF-UHFFFAOYSA-N -1 3 360.343 3.424 20 0 FGADHM FC(F)(F)c1cccc(C2(CNc3ccc(-c4nn[n-]n4)nc3)CC2)c1 ZINC000822729171 606070228 /nfs/dbraw/zinc/07/02/28/606070228.db2.gz VCDIMIRMQWHGRF-UHFFFAOYSA-N -1 3 360.343 3.424 20 0 FGADHM Cc1ccccc1[C@H]1CN(c2nc3ccccc3cc2-c2nnn[n-]2)CCO1 ZINC000822352353 606093100 /nfs/dbraw/zinc/09/31/00/606093100.db2.gz XPXQIGOGYXUXLE-LJQANCHMSA-N -1 3 372.432 3.301 20 0 FGADHM Cc1ccccc1[C@H]1CN(c2nc3ccccc3cc2-c2nn[n-]n2)CCO1 ZINC000822352353 606093104 /nfs/dbraw/zinc/09/31/04/606093104.db2.gz XPXQIGOGYXUXLE-LJQANCHMSA-N -1 3 372.432 3.301 20 0 FGADHM Cc1sc(NC(=O)CN2CCC3(CCCC3)CC2)c(-c2nnn[n-]2)c1C ZINC000822557894 606114410 /nfs/dbraw/zinc/11/44/10/606114410.db2.gz KOTONSGUXQXOSS-UHFFFAOYSA-N -1 3 374.514 3.140 20 0 FGADHM C[C@H](c1ccccc1)[C@H](C)NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000820333820 606123197 /nfs/dbraw/zinc/12/31/97/606123197.db2.gz GXNICHQMQVXGNC-KBPBESRZSA-N -1 3 367.478 3.267 20 0 FGADHM C[C@H](c1ccccc1)[C@H](C)NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000820333820 606123199 /nfs/dbraw/zinc/12/31/99/606123199.db2.gz GXNICHQMQVXGNC-KBPBESRZSA-N -1 3 367.478 3.267 20 0 FGADHM C[C@@H](NC(=O)CSc1ccc(-c2nnn[n-]2)cc1)[C@H](C)c1ccccc1 ZINC000820333822 606123286 /nfs/dbraw/zinc/12/32/86/606123286.db2.gz GXNICHQMQVXGNC-UONOGXRCSA-N -1 3 367.478 3.267 20 0 FGADHM C[C@@H](NC(=O)CSc1ccc(-c2nn[n-]n2)cc1)[C@H](C)c1ccccc1 ZINC000820333822 606123288 /nfs/dbraw/zinc/12/32/88/606123288.db2.gz GXNICHQMQVXGNC-UONOGXRCSA-N -1 3 367.478 3.267 20 0 FGADHM CC[C@@H](Oc1cccc(C)c1)C(=O)OCc1cc(-c2nnn[n-]2)ccc1F ZINC000820938507 606140230 /nfs/dbraw/zinc/14/02/30/606140230.db2.gz KOWNLFUSXBEARM-QGZVFWFLSA-N -1 3 370.384 3.215 20 0 FGADHM CC[C@@H](Oc1cccc(C)c1)C(=O)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000820938507 606140231 /nfs/dbraw/zinc/14/02/31/606140231.db2.gz KOWNLFUSXBEARM-QGZVFWFLSA-N -1 3 370.384 3.215 20 0 FGADHM COc1csc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)c1 ZINC000821911361 606146550 /nfs/dbraw/zinc/14/65/50/606146550.db2.gz POWFPMVKNPPFLE-UHFFFAOYSA-N -1 3 361.452 3.129 20 0 FGADHM COc1csc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)c1 ZINC000821911361 606146552 /nfs/dbraw/zinc/14/65/52/606146552.db2.gz POWFPMVKNPPFLE-UHFFFAOYSA-N -1 3 361.452 3.129 20 0 FGADHM CC[C@H](Oc1ccccc1C)C(=O)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000820937756 606148234 /nfs/dbraw/zinc/14/82/34/606148234.db2.gz CRCUTGLMUYCYLN-INIZCTEOSA-N -1 3 352.394 3.076 20 0 FGADHM CC[C@H](Oc1ccccc1C)C(=O)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000820937756 606148236 /nfs/dbraw/zinc/14/82/36/606148236.db2.gz CRCUTGLMUYCYLN-INIZCTEOSA-N -1 3 352.394 3.076 20 0 FGADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccc(OC(C)(C)C)cc1 ZINC000821609903 606185172 /nfs/dbraw/zinc/18/51/72/606185172.db2.gz QQQKGGHKOXPVRI-UHFFFAOYSA-N -1 3 365.437 3.316 20 0 FGADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccc(OC(C)(C)C)cc1 ZINC000821609903 606185174 /nfs/dbraw/zinc/18/51/74/606185174.db2.gz QQQKGGHKOXPVRI-UHFFFAOYSA-N -1 3 365.437 3.316 20 0 FGADHM C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820727320 606187847 /nfs/dbraw/zinc/18/78/47/606187847.db2.gz KSXRQDHJGHUZDW-GTNSWQLSSA-N -1 3 351.385 3.059 20 0 FGADHM C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820727320 606187849 /nfs/dbraw/zinc/18/78/49/606187849.db2.gz KSXRQDHJGHUZDW-GTNSWQLSSA-N -1 3 351.385 3.059 20 0 FGADHM O=C(CCn1cccc1)OCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000822987418 606193077 /nfs/dbraw/zinc/19/30/77/606193077.db2.gz XNWPCACTFRQKPQ-UHFFFAOYSA-N -1 3 373.416 3.469 20 0 FGADHM O=C(CCn1cccc1)OCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000822987418 606193079 /nfs/dbraw/zinc/19/30/79/606193079.db2.gz XNWPCACTFRQKPQ-UHFFFAOYSA-N -1 3 373.416 3.469 20 0 FGADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Oc1c(Cl)cc(Cl)cc1Cl ZINC000822665740 606207849 /nfs/dbraw/zinc/20/78/49/606207849.db2.gz XFOCBNYBNJZIJQ-UHFFFAOYSA-N -1 3 372.599 3.385 20 0 FGADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Oc1c(Cl)cc(Cl)cc1Cl ZINC000822665740 606207850 /nfs/dbraw/zinc/20/78/50/606207850.db2.gz XFOCBNYBNJZIJQ-UHFFFAOYSA-N -1 3 372.599 3.385 20 0 FGADHM C[C@H](NC(=O)c1cc(-c2nnn[n-]2)cn1C)c1ccc(Cl)c(Cl)c1 ZINC000820384496 606211246 /nfs/dbraw/zinc/21/12/46/606211246.db2.gz GMRJUQHKORDMSJ-QMMMGPOBSA-N -1 3 365.224 3.003 20 0 FGADHM C[C@H](NC(=O)c1cc(-c2nn[n-]n2)cn1C)c1ccc(Cl)c(Cl)c1 ZINC000820384496 606211247 /nfs/dbraw/zinc/21/12/47/606211247.db2.gz GMRJUQHKORDMSJ-QMMMGPOBSA-N -1 3 365.224 3.003 20 0 FGADHM COc1cccc(C(C)=CC(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821857894 606220088 /nfs/dbraw/zinc/22/00/88/606220088.db2.gz BGIRDZRQKXIHIK-YBEMTRGBSA-N -1 3 363.421 3.156 20 0 FGADHM COc1cccc(C(C)=CC(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821857894 606220090 /nfs/dbraw/zinc/22/00/90/606220090.db2.gz BGIRDZRQKXIHIK-YBEMTRGBSA-N -1 3 363.421 3.156 20 0 FGADHM O=C([C@@H]1C[C@@H]1C1CC1)N(Cc1ccccc1)c1ccccc1-c1nnn[n-]1 ZINC000822916927 606223706 /nfs/dbraw/zinc/22/37/06/606223706.db2.gz ITMQPKZELWYCEL-QZTJIDSGSA-N -1 3 359.433 3.446 20 0 FGADHM O=C([C@@H]1C[C@@H]1C1CC1)N(Cc1ccccc1)c1ccccc1-c1nn[n-]n1 ZINC000822916927 606223707 /nfs/dbraw/zinc/22/37/07/606223707.db2.gz ITMQPKZELWYCEL-QZTJIDSGSA-N -1 3 359.433 3.446 20 0 FGADHM O=C(Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1)[C@@H]1C[C@@H]1C1CC1 ZINC000823355509 606227467 /nfs/dbraw/zinc/22/74/67/606227467.db2.gz DNRAFGBEDJXCDU-HZPDHXFCSA-N -1 3 362.393 3.039 20 0 FGADHM O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1)[C@@H]1C[C@@H]1C1CC1 ZINC000823355509 606227470 /nfs/dbraw/zinc/22/74/70/606227470.db2.gz DNRAFGBEDJXCDU-HZPDHXFCSA-N -1 3 362.393 3.039 20 0 FGADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N[C@H](CC(C)(C)C)c1ccccc1 ZINC000822632092 606228148 /nfs/dbraw/zinc/22/81/48/606228148.db2.gz QOCFWULVTASYKG-OAHLLOKOSA-N -1 3 352.442 3.113 20 0 FGADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N[C@H](CC(C)(C)C)c1ccccc1 ZINC000822632092 606228149 /nfs/dbraw/zinc/22/81/49/606228149.db2.gz QOCFWULVTASYKG-OAHLLOKOSA-N -1 3 352.442 3.113 20 0 FGADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1ccc2c(c1)oc1ccccc12 ZINC000822650786 606228546 /nfs/dbraw/zinc/22/85/46/606228546.db2.gz ZRCWQLRUFAXSDN-UHFFFAOYSA-N -1 3 358.361 3.357 20 0 FGADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1ccc2c(c1)oc1ccccc12 ZINC000822650786 606228548 /nfs/dbraw/zinc/22/85/48/606228548.db2.gz ZRCWQLRUFAXSDN-UHFFFAOYSA-N -1 3 358.361 3.357 20 0 FGADHM O=C1[C@H](Nc2cccc3ccccc32)CCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000823511187 606242479 /nfs/dbraw/zinc/24/24/79/606242479.db2.gz DKVAMXHNEZGMRR-LJQANCHMSA-N -1 3 370.416 3.237 20 0 FGADHM O=C1[C@H](Nc2cccc3ccccc32)CCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000823511187 606242481 /nfs/dbraw/zinc/24/24/81/606242481.db2.gz DKVAMXHNEZGMRR-LJQANCHMSA-N -1 3 370.416 3.237 20 0 FGADHM Cc1ccc(Cl)cc1N[C@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000822239722 606243910 /nfs/dbraw/zinc/24/39/10/606243910.db2.gz BFXQVFFYBNHEIX-HNNXBMFYSA-N -1 3 368.828 3.046 20 0 FGADHM Cc1ccc(Cl)cc1N[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000822239722 606243913 /nfs/dbraw/zinc/24/39/13/606243913.db2.gz BFXQVFFYBNHEIX-HNNXBMFYSA-N -1 3 368.828 3.046 20 0 FGADHM CCSc1ccc(Cl)cc1NC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000821461746 606247665 /nfs/dbraw/zinc/24/76/65/606247665.db2.gz SJLYGFOAJOHUGT-UHFFFAOYSA-N -1 3 362.846 3.223 20 0 FGADHM CCSc1ccc(Cl)cc1NC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000821461746 606247667 /nfs/dbraw/zinc/24/76/67/606247667.db2.gz SJLYGFOAJOHUGT-UHFFFAOYSA-N -1 3 362.846 3.223 20 0 FGADHM C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000820571237 606255999 /nfs/dbraw/zinc/25/59/99/606255999.db2.gz WMPFHEDAOLLHKH-AWEZNQCLSA-N -1 3 364.453 3.209 20 0 FGADHM C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000820571237 606256001 /nfs/dbraw/zinc/25/60/01/606256001.db2.gz WMPFHEDAOLLHKH-AWEZNQCLSA-N -1 3 364.453 3.209 20 0 FGADHM Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000822228865 606261798 /nfs/dbraw/zinc/26/17/98/606261798.db2.gz HJACDHCAJNMFRO-UHFFFAOYSA-N -1 3 369.400 3.455 20 0 FGADHM Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000822228865 606261800 /nfs/dbraw/zinc/26/18/00/606261800.db2.gz HJACDHCAJNMFRO-UHFFFAOYSA-N -1 3 369.400 3.455 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)c1cnc(-c2ccccc2)s1 ZINC000823345657 606262358 /nfs/dbraw/zinc/26/23/58/606262358.db2.gz BDWKXJNRSJKIJP-UHFFFAOYSA-N -1 3 366.381 3.382 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)c1cnc(-c2ccccc2)s1 ZINC000823345657 606262359 /nfs/dbraw/zinc/26/23/59/606262359.db2.gz BDWKXJNRSJKIJP-UHFFFAOYSA-N -1 3 366.381 3.382 20 0 FGADHM CC(C)(C)c1ccc(OCC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000819957999 606268080 /nfs/dbraw/zinc/26/80/80/606268080.db2.gz GCWPGFAYRPCHAU-UHFFFAOYSA-N -1 3 369.400 3.321 20 0 FGADHM CC(C)(C)c1ccc(OCC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000819957999 606268081 /nfs/dbraw/zinc/26/80/81/606268081.db2.gz GCWPGFAYRPCHAU-UHFFFAOYSA-N -1 3 369.400 3.321 20 0 FGADHM CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820938503 606272580 /nfs/dbraw/zinc/27/25/80/606272580.db2.gz KMGQLDKDQAJSDJ-RBOXIYTFSA-N -1 3 361.421 3.318 20 0 FGADHM CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820938503 606272581 /nfs/dbraw/zinc/27/25/81/606272581.db2.gz KMGQLDKDQAJSDJ-RBOXIYTFSA-N -1 3 361.421 3.318 20 0 FGADHM C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000820641897 606279227 /nfs/dbraw/zinc/27/92/27/606279227.db2.gz FIWAJFRJUSHCCC-ATWWEQPWSA-N -1 3 359.433 3.285 20 0 FGADHM C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000820641897 606279228 /nfs/dbraw/zinc/27/92/28/606279228.db2.gz FIWAJFRJUSHCCC-ATWWEQPWSA-N -1 3 359.433 3.285 20 0 FGADHM CC(C)[C@@H](c1ccccc1Cl)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000820032131 606321113 /nfs/dbraw/zinc/32/11/13/606321113.db2.gz LLEZAPDBGYVTMQ-HNNXBMFYSA-N -1 3 358.833 3.318 20 0 FGADHM CC(C)[C@@H](c1ccccc1Cl)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000820032131 606321115 /nfs/dbraw/zinc/32/11/15/606321115.db2.gz LLEZAPDBGYVTMQ-HNNXBMFYSA-N -1 3 358.833 3.318 20 0 FGADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000823460123 606321321 /nfs/dbraw/zinc/32/13/21/606321321.db2.gz HSROQSGMXXMNHL-UHFFFAOYSA-N -1 3 368.416 3.309 20 0 FGADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000823460123 606321322 /nfs/dbraw/zinc/32/13/22/606321322.db2.gz HSROQSGMXXMNHL-UHFFFAOYSA-N -1 3 368.416 3.309 20 0 FGADHM Cc1ccccc1C1CC(N(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C2CC2)C1 ZINC000822352151 606323663 /nfs/dbraw/zinc/32/36/63/606323663.db2.gz VDQBBQLCXGWPHL-UHFFFAOYSA-N -1 3 362.437 3.054 20 0 FGADHM Cc1ccccc1C1CC(N(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C2CC2)C1 ZINC000822352151 606323665 /nfs/dbraw/zinc/32/36/65/606323665.db2.gz VDQBBQLCXGWPHL-UHFFFAOYSA-N -1 3 362.437 3.054 20 0 FGADHM Cc1cc2c(cc1C)O[C@H](C(=O)O[C@H](C)c1ccc(-c3nnn[n-]3)cc1)C2 ZINC000822213066 606343342 /nfs/dbraw/zinc/34/33/42/606343342.db2.gz SLHNKKHQBRLTGA-ACJLOTCBSA-N -1 3 364.405 3.091 20 0 FGADHM Cc1cc2c(cc1C)O[C@H](C(=O)O[C@H](C)c1ccc(-c3nn[n-]n3)cc1)C2 ZINC000822213066 606343344 /nfs/dbraw/zinc/34/33/44/606343344.db2.gz SLHNKKHQBRLTGA-ACJLOTCBSA-N -1 3 364.405 3.091 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)N1CCC[C@@]2(CC=CCC2)C1 ZINC000823344122 606346458 /nfs/dbraw/zinc/34/64/58/606346458.db2.gz QZIWQVKMLBHYOC-SFHVURJKSA-N -1 3 356.405 3.360 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)N1CCC[C@@]2(CC=CCC2)C1 ZINC000823344122 606346460 /nfs/dbraw/zinc/34/64/60/606346460.db2.gz QZIWQVKMLBHYOC-SFHVURJKSA-N -1 3 356.405 3.360 20 0 FGADHM C[C@H](OC(=O)c1cc(=O)[nH]c2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000820507626 606346646 /nfs/dbraw/zinc/34/66/46/606346646.db2.gz ITSOHBKDRCGNJB-NSHDSACASA-N -1 3 361.361 3.039 20 0 FGADHM C[C@H](OC(=O)c1cc(=O)[nH]c2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000820507626 606346648 /nfs/dbraw/zinc/34/66/48/606346648.db2.gz ITSOHBKDRCGNJB-NSHDSACASA-N -1 3 361.361 3.039 20 0 FGADHM C[C@@H](OC(=O)c1ccc(C(F)(F)F)nc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820513106 606347830 /nfs/dbraw/zinc/34/78/30/606347830.db2.gz UWOVEMPGAIOYLO-SECBINFHSA-N -1 3 363.299 3.199 20 0 FGADHM C[C@@H](OC(=O)c1ccc(C(F)(F)F)nc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820513106 606347833 /nfs/dbraw/zinc/34/78/33/606347833.db2.gz UWOVEMPGAIOYLO-SECBINFHSA-N -1 3 363.299 3.199 20 0 FGADHM CCO[C@H](C)c1ncc(C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000821346613 606348030 /nfs/dbraw/zinc/34/80/30/606348030.db2.gz MVPCVGPORQBPNW-WDEREUQCSA-N -1 3 373.438 3.339 20 0 FGADHM CCO[C@H](C)c1ncc(C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000821346613 606348031 /nfs/dbraw/zinc/34/80/31/606348031.db2.gz MVPCVGPORQBPNW-WDEREUQCSA-N -1 3 373.438 3.339 20 0 FGADHM CCSc1cc(C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)ccn1 ZINC000821460810 606348422 /nfs/dbraw/zinc/34/84/22/606348422.db2.gz DWEOEWXCWSELCJ-LLVKDONJSA-N -1 3 355.423 3.292 20 0 FGADHM CCSc1cc(C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)ccn1 ZINC000821460810 606348424 /nfs/dbraw/zinc/34/84/24/606348424.db2.gz DWEOEWXCWSELCJ-LLVKDONJSA-N -1 3 355.423 3.292 20 0 FGADHM COc1ccccc1CCC(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821890318 606350252 /nfs/dbraw/zinc/35/02/52/606350252.db2.gz LYGMVPMXEIQUDK-ZDUSSCGKSA-N -1 3 352.394 3.112 20 0 FGADHM COc1ccccc1CCC(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821890318 606350254 /nfs/dbraw/zinc/35/02/54/606350254.db2.gz LYGMVPMXEIQUDK-ZDUSSCGKSA-N -1 3 352.394 3.112 20 0 FGADHM C[C@H](Cc1ccc(F)cc1)C(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820294552 606352097 /nfs/dbraw/zinc/35/20/97/606352097.db2.gz UOPMYAATUGGMHF-CHWSQXEVSA-N -1 3 354.385 3.489 20 0 FGADHM C[C@H](Cc1ccc(F)cc1)C(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820294552 606352099 /nfs/dbraw/zinc/35/20/99/606352099.db2.gz UOPMYAATUGGMHF-CHWSQXEVSA-N -1 3 354.385 3.489 20 0 FGADHM C[C@@H](OC(=O)CCCOc1ccc(F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820495643 606355915 /nfs/dbraw/zinc/35/59/15/606355915.db2.gz IOSNXLUWTNMEES-CYBMUJFWSA-N -1 3 370.384 3.469 20 0 FGADHM C[C@@H](OC(=O)CCCOc1ccc(F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820495643 606355917 /nfs/dbraw/zinc/35/59/17/606355917.db2.gz IOSNXLUWTNMEES-CYBMUJFWSA-N -1 3 370.384 3.469 20 0 FGADHM CCO[C@@H](CC)C(=O)Oc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821350950 606361060 /nfs/dbraw/zinc/36/10/60/606361060.db2.gz HFQFWGRMCSMAPL-KRWDZBQOSA-N -1 3 368.393 3.380 20 0 FGADHM CCO[C@@H](CC)C(=O)Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821350950 606361062 /nfs/dbraw/zinc/36/10/62/606361062.db2.gz HFQFWGRMCSMAPL-KRWDZBQOSA-N -1 3 368.393 3.380 20 0 FGADHM CC[C@H](Oc1ccccc1F)C(=O)OCc1cc(-c2nnn[n-]2)ccc1F ZINC000820938013 606373032 /nfs/dbraw/zinc/37/30/32/606373032.db2.gz GMVKJWBGDUSPOH-HNNXBMFYSA-N -1 3 374.347 3.046 20 0 FGADHM CC[C@H](Oc1ccccc1F)C(=O)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000820938013 606373034 /nfs/dbraw/zinc/37/30/34/606373034.db2.gz GMVKJWBGDUSPOH-HNNXBMFYSA-N -1 3 374.347 3.046 20 0 FGADHM c1csc([C@@H](NCc2ccc(-c3nnn[n-]3)s2)c2ccccc2)n1 ZINC000823774106 606415580 /nfs/dbraw/zinc/41/55/80/606415580.db2.gz ZPHFXKNFSJKYAI-AWEZNQCLSA-N -1 3 354.464 3.264 20 0 FGADHM c1csc([C@@H](NCc2ccc(-c3nn[n-]n3)s2)c2ccccc2)n1 ZINC000823774106 606415581 /nfs/dbraw/zinc/41/55/81/606415581.db2.gz ZPHFXKNFSJKYAI-AWEZNQCLSA-N -1 3 354.464 3.264 20 0 FGADHM C[C@@H]1CCN(c2c(-c3nnn[n-]3)cnc3ccc(OC(F)F)cc32)[C@@H]1C ZINC000820728255 606424235 /nfs/dbraw/zinc/42/42/35/606424235.db2.gz UKAPNPTUTQIENT-NXEZZACHSA-N -1 3 360.368 3.251 20 0 FGADHM C[C@@H]1CCN(c2c(-c3nn[n-]n3)cnc3ccc(OC(F)F)cc32)[C@@H]1C ZINC000820728255 606424237 /nfs/dbraw/zinc/42/42/37/606424237.db2.gz UKAPNPTUTQIENT-NXEZZACHSA-N -1 3 360.368 3.251 20 0 FGADHM CC(C)[C@H]1OCCC[C@@H]1CNc1nc2ccccc2cc1-c1nnn[n-]1 ZINC000820051361 606426893 /nfs/dbraw/zinc/42/68/93/606426893.db2.gz NZYXQHJXXLDMRM-RHSMWYFYSA-N -1 3 352.442 3.278 20 0 FGADHM CC(C)[C@H]1OCCC[C@@H]1CNc1nc2ccccc2cc1-c1nn[n-]n1 ZINC000820051361 606426894 /nfs/dbraw/zinc/42/68/94/606426894.db2.gz NZYXQHJXXLDMRM-RHSMWYFYSA-N -1 3 352.442 3.278 20 0 FGADHM C[C@@H](Nc1ncccc1-c1nnn[n-]1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000820462117 606429619 /nfs/dbraw/zinc/42/96/19/606429619.db2.gz UYCGKIQYSFLFAT-SECBINFHSA-N -1 3 368.788 3.138 20 0 FGADHM C[C@@H](Nc1ncccc1-c1nn[n-]n1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000820462117 606429621 /nfs/dbraw/zinc/42/96/21/606429621.db2.gz UYCGKIQYSFLFAT-SECBINFHSA-N -1 3 368.788 3.138 20 0 FGADHM C[C@H]1CCCN1C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000820710099 606441263 /nfs/dbraw/zinc/44/12/63/606441263.db2.gz OBZBGOALXYJVTE-LBPRGKRZSA-N -1 3 368.466 3.289 20 0 FGADHM CC(=O)N(Cc1ccc(NCc2cccc(-c3nnn[n-]3)c2)cc1)C(C)C ZINC000819789494 606458339 /nfs/dbraw/zinc/45/83/39/606458339.db2.gz QLYVLFITUSVKPE-UHFFFAOYSA-N -1 3 364.453 3.236 20 0 FGADHM CC(=O)N(Cc1ccc(NCc2cccc(-c3nn[n-]n3)c2)cc1)C(C)C ZINC000819789494 606458341 /nfs/dbraw/zinc/45/83/41/606458341.db2.gz QLYVLFITUSVKPE-UHFFFAOYSA-N -1 3 364.453 3.236 20 0 FGADHM O=C(Oc1ccc(Oc2ccccn2)cc1)c1cc(-c2nnn[n-]2)cs1 ZINC000823454013 606462364 /nfs/dbraw/zinc/46/23/64/606462364.db2.gz IVTMLVQOTKNGDM-UHFFFAOYSA-N -1 3 365.374 3.335 20 0 FGADHM O=C(Oc1ccc(Oc2ccccn2)cc1)c1cc(-c2nn[n-]n2)cs1 ZINC000823454013 606462365 /nfs/dbraw/zinc/46/23/65/606462365.db2.gz IVTMLVQOTKNGDM-UHFFFAOYSA-N -1 3 365.374 3.335 20 0 FGADHM O=C(NCCSc1ccc(Cl)cc1)c1cc(-c2nnn[n-]2)cs1 ZINC000823219497 606484749 /nfs/dbraw/zinc/48/47/49/606484749.db2.gz KCGCPSGSYZJQRC-UHFFFAOYSA-N -1 3 365.871 3.104 20 0 FGADHM O=C(NCCSc1ccc(Cl)cc1)c1cc(-c2nn[n-]n2)cs1 ZINC000823219497 606484750 /nfs/dbraw/zinc/48/47/50/606484750.db2.gz KCGCPSGSYZJQRC-UHFFFAOYSA-N -1 3 365.871 3.104 20 0 FGADHM CC(C)Oc1cccc([C@@H](C)NC(=O)c2cc(-c3nnn[n-]3)cs2)c1 ZINC000820178504 606493891 /nfs/dbraw/zinc/49/38/91/606493891.db2.gz RWOBNIXUYLGUCC-LLVKDONJSA-N -1 3 357.439 3.206 20 0 FGADHM CC(C)Oc1cccc([C@@H](C)NC(=O)c2cc(-c3nn[n-]n3)cs2)c1 ZINC000820178504 606493892 /nfs/dbraw/zinc/49/38/92/606493892.db2.gz RWOBNIXUYLGUCC-LLVKDONJSA-N -1 3 357.439 3.206 20 0 FGADHM Cc1ccc(C)c2sc(NC(=O)Cc3cccc(-c4nnn[n-]4)c3)nc21 ZINC000822232057 606495851 /nfs/dbraw/zinc/49/58/51/606495851.db2.gz RRRQIJOXSFMDPR-UHFFFAOYSA-N -1 3 364.434 3.274 20 0 FGADHM Cc1ccc(C)c2sc(NC(=O)Cc3cccc(-c4nn[n-]n4)c3)nc21 ZINC000822232057 606495854 /nfs/dbraw/zinc/49/58/54/606495854.db2.gz RRRQIJOXSFMDPR-UHFFFAOYSA-N -1 3 364.434 3.274 20 0 FGADHM O=C(Nc1nc(-c2ccccc2F)cs1)c1cc(-c2nnn[n-]2)cs1 ZINC000823375856 606498473 /nfs/dbraw/zinc/49/84/73/606498473.db2.gz MSIFFBOCTKTBGB-UHFFFAOYSA-N -1 3 372.410 3.443 20 0 FGADHM O=C(Nc1nc(-c2ccccc2F)cs1)c1cc(-c2nn[n-]n2)cs1 ZINC000823375856 606498475 /nfs/dbraw/zinc/49/84/75/606498475.db2.gz MSIFFBOCTKTBGB-UHFFFAOYSA-N -1 3 372.410 3.443 20 0 FGADHM CCc1nc(C)c([C@@H](C)N(C)C(=O)c2cc(-c3nnn[n-]3)cs2)s1 ZINC000821505520 606516091 /nfs/dbraw/zinc/51/60/91/606516091.db2.gz SEWHOYWZQBOLRO-SECBINFHSA-N -1 3 362.484 3.089 20 0 FGADHM CCc1nc(C)c([C@@H](C)N(C)C(=O)c2cc(-c3nn[n-]n3)cs2)s1 ZINC000821505520 606516094 /nfs/dbraw/zinc/51/60/94/606516094.db2.gz SEWHOYWZQBOLRO-SECBINFHSA-N -1 3 362.484 3.089 20 0 FGADHM C[C@H](CC(C)(C)c1ccccc1)NC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820225083 606535705 /nfs/dbraw/zinc/53/57/05/606535705.db2.gz AETWXXXAIACUMJ-OAHLLOKOSA-N -1 3 363.465 3.282 20 0 FGADHM C[C@H](CC(C)(C)c1ccccc1)NC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820225083 606535707 /nfs/dbraw/zinc/53/57/07/606535707.db2.gz AETWXXXAIACUMJ-OAHLLOKOSA-N -1 3 363.465 3.282 20 0 FGADHM O=C(c1cc(-c2nnn[n-]2)cs1)N1CCC[C@H]1CCc1ccccc1 ZINC000823472621 606537386 /nfs/dbraw/zinc/53/73/86/606537386.db2.gz SWHXXQXMEFPKBD-HNNXBMFYSA-N -1 3 353.451 3.166 20 0 FGADHM O=C(c1cc(-c2nn[n-]n2)cs1)N1CCC[C@H]1CCc1ccccc1 ZINC000823472621 606537388 /nfs/dbraw/zinc/53/73/88/606537388.db2.gz SWHXXQXMEFPKBD-HNNXBMFYSA-N -1 3 353.451 3.166 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C/C=C/c1cccc(F)c1 ZINC000821756433 606540994 /nfs/dbraw/zinc/54/09/94/606540994.db2.gz OSPYIIUWXIDTRJ-HWKANZROSA-N -1 3 353.357 3.056 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C/C=C/c1cccc(F)c1 ZINC000821756433 606540996 /nfs/dbraw/zinc/54/09/96/606540996.db2.gz OSPYIIUWXIDTRJ-HWKANZROSA-N -1 3 353.357 3.056 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1cnccc1Oc1ccccc1 ZINC000823108783 606541898 /nfs/dbraw/zinc/54/18/98/606541898.db2.gz SUWNIGHNNVTNLI-UHFFFAOYSA-N -1 3 372.388 3.235 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1cnccc1Oc1ccccc1 ZINC000823108783 606541900 /nfs/dbraw/zinc/54/19/00/606541900.db2.gz SUWNIGHNNVTNLI-UHFFFAOYSA-N -1 3 372.388 3.235 20 0 FGADHM C[C@@]1(CCc2ccccc2)CCN(C(=O)c2cc(-c3nnn[n-]3)cs2)C1 ZINC000820613042 606547373 /nfs/dbraw/zinc/54/73/73/606547373.db2.gz QXPGPKFICPVGIL-LJQANCHMSA-N -1 3 367.478 3.413 20 0 FGADHM C[C@@]1(CCc2ccccc2)CCN(C(=O)c2cc(-c3nn[n-]n3)cs2)C1 ZINC000820613042 606547375 /nfs/dbraw/zinc/54/73/75/606547375.db2.gz QXPGPKFICPVGIL-LJQANCHMSA-N -1 3 367.478 3.413 20 0 FGADHM C[C@@H]1CCCN1C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000820710077 606572913 /nfs/dbraw/zinc/57/29/13/606572913.db2.gz NTQZGRISGUGAQK-GFCCVEGCSA-N -1 3 365.397 3.070 20 0 FGADHM Cc1cccc(CC2CN(C(=O)Nc3cc(-c4nnn[n-]4)ccc3C)C2)c1 ZINC000822299526 606575056 /nfs/dbraw/zinc/57/50/56/606575056.db2.gz LRAOHSCBDRVKTB-UHFFFAOYSA-N -1 3 362.437 3.190 20 0 FGADHM Cc1cccc(CC2CN(C(=O)Nc3cc(-c4nn[n-]n4)ccc3C)C2)c1 ZINC000822299526 606575057 /nfs/dbraw/zinc/57/50/57/606575057.db2.gz LRAOHSCBDRVKTB-UHFFFAOYSA-N -1 3 362.437 3.190 20 0 FGADHM Cc1cc(NC(=O)Cc2cccc(-c3nnn[n-]3)c2)c2cccnc2c1C ZINC000822208111 606576495 /nfs/dbraw/zinc/57/64/95/606576495.db2.gz AZGBVPHYBUVMDL-UHFFFAOYSA-N -1 3 358.405 3.213 20 0 FGADHM Cc1cc(NC(=O)Cc2cccc(-c3nn[n-]n3)c2)c2cccnc2c1C ZINC000822208111 606576497 /nfs/dbraw/zinc/57/64/97/606576497.db2.gz AZGBVPHYBUVMDL-UHFFFAOYSA-N -1 3 358.405 3.213 20 0 FGADHM O=C(NCC(F)F)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000823166144 606578669 /nfs/dbraw/zinc/57/86/69/606578669.db2.gz FPERWUIQVYUXQH-UHFFFAOYSA-N -1 3 360.324 3.046 20 0 FGADHM O=C(NCC(F)F)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000823166144 606578670 /nfs/dbraw/zinc/57/86/70/606578670.db2.gz FPERWUIQVYUXQH-UHFFFAOYSA-N -1 3 360.324 3.046 20 0 FGADHM CC[C@@H](Oc1ccccc1C)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820939231 606578778 /nfs/dbraw/zinc/57/87/78/606578778.db2.gz RHWLYMUJHTTWJK-RHSMWYFYSA-N -1 3 365.437 3.210 20 0 FGADHM CC[C@@H](Oc1ccccc1C)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820939231 606578780 /nfs/dbraw/zinc/57/87/80/606578780.db2.gz RHWLYMUJHTTWJK-RHSMWYFYSA-N -1 3 365.437 3.210 20 0 FGADHM CCNc1ccc(-c2nn[n-]n2)cc1NCc1nc(-c2ccsc2)no1 ZINC000821309247 606599915 /nfs/dbraw/zinc/59/99/15/606599915.db2.gz LJXKBZWIWZAPFO-UHFFFAOYSA-N -1 3 368.426 3.022 20 0 FGADHM O=C(CCc1ccoc1)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000822983780 606604259 /nfs/dbraw/zinc/60/42/59/606604259.db2.gz ULRCQSHDZOWPJS-UHFFFAOYSA-N -1 3 351.288 3.050 20 0 FGADHM O=C(CCc1ccoc1)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000822983780 606604261 /nfs/dbraw/zinc/60/42/61/606604261.db2.gz ULRCQSHDZOWPJS-UHFFFAOYSA-N -1 3 351.288 3.050 20 0 FGADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)N[C@@H](C1CCCCC1)C(F)(F)F ZINC000823077800 606605778 /nfs/dbraw/zinc/60/57/78/606605778.db2.gz AWKIMLPQVIGFAP-HNNXBMFYSA-N -1 3 367.375 3.037 20 0 FGADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)N[C@@H](C1CCCCC1)C(F)(F)F ZINC000823077800 606605781 /nfs/dbraw/zinc/60/57/81/606605781.db2.gz AWKIMLPQVIGFAP-HNNXBMFYSA-N -1 3 367.375 3.037 20 0 FGADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)Nc1cnccc1-c1cccc(F)c1 ZINC000823078391 606607467 /nfs/dbraw/zinc/60/74/67/606607467.db2.gz LOFVOHAOMBHESJ-UHFFFAOYSA-N -1 3 374.379 3.249 20 0 FGADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)Nc1cnccc1-c1cccc(F)c1 ZINC000823078391 606607469 /nfs/dbraw/zinc/60/74/69/606607469.db2.gz LOFVOHAOMBHESJ-UHFFFAOYSA-N -1 3 374.379 3.249 20 0 FGADHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CCCc1ccccc1C ZINC000822356399 606607803 /nfs/dbraw/zinc/60/78/03/606607803.db2.gz QYLZYGIAALHAHJ-UHFFFAOYSA-N -1 3 359.437 3.375 20 0 FGADHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CCCc1ccccc1C ZINC000822356399 606607804 /nfs/dbraw/zinc/60/78/04/606607804.db2.gz QYLZYGIAALHAHJ-UHFFFAOYSA-N -1 3 359.437 3.375 20 0 FGADHM O=C(OCc1nc2ccccc2s1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823440302 606665016 /nfs/dbraw/zinc/66/50/16/606665016.db2.gz MGECOJKBUFMNHP-UHFFFAOYSA-N -1 3 373.344 3.112 20 0 FGADHM O=C(OCc1nc2ccccc2s1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823440302 606665017 /nfs/dbraw/zinc/66/50/17/606665017.db2.gz MGECOJKBUFMNHP-UHFFFAOYSA-N -1 3 373.344 3.112 20 0 FGADHM CC(C)C[C@H](C)OCCC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000820057289 606670030 /nfs/dbraw/zinc/67/00/30/606670030.db2.gz XLRPORGBOIJRIO-INIZCTEOSA-N -1 3 373.501 3.445 20 0 FGADHM CC(C)C[C@H](C)OCCC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000820057289 606670031 /nfs/dbraw/zinc/67/00/31/606670031.db2.gz XLRPORGBOIJRIO-INIZCTEOSA-N -1 3 373.501 3.445 20 0 FGADHM Cc1ccc([C@@H](C)NC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1F ZINC000822229162 606670601 /nfs/dbraw/zinc/67/06/01/606670601.db2.gz OCTYWKUVZMPKBA-LLVKDONJSA-N -1 3 372.379 3.014 20 0 FGADHM Cc1ccc([C@@H](C)NC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1F ZINC000822229162 606670602 /nfs/dbraw/zinc/67/06/02/606670602.db2.gz OCTYWKUVZMPKBA-LLVKDONJSA-N -1 3 372.379 3.014 20 0 FGADHM COC[C@H](C)CC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCCC2 ZINC000821681241 606673676 /nfs/dbraw/zinc/67/36/76/606673676.db2.gz FUBBAPMVCYWRJB-LLVKDONJSA-N -1 3 363.487 3.198 20 0 FGADHM COC[C@H](C)CC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCCC2 ZINC000821681241 606673677 /nfs/dbraw/zinc/67/36/77/606673677.db2.gz FUBBAPMVCYWRJB-LLVKDONJSA-N -1 3 363.487 3.198 20 0 FGADHM Cc1ccccc1C(C)(C)CNC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000822345979 606676113 /nfs/dbraw/zinc/67/61/13/606676113.db2.gz YPDGOVXRBNHDHZ-UHFFFAOYSA-N -1 3 371.391 3.161 20 0 FGADHM Cc1ccccc1C(C)(C)CNC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000822345979 606676114 /nfs/dbraw/zinc/67/61/14/606676114.db2.gz YPDGOVXRBNHDHZ-UHFFFAOYSA-N -1 3 371.391 3.161 20 0 FGADHM CCc1c(C)sc(NC(=O)Cc2ccc(F)c(F)c2)c1-c1nnn[n-]1 ZINC000821466755 606677033 /nfs/dbraw/zinc/67/70/33/606677033.db2.gz ZLPFVHVFKJTASM-UHFFFAOYSA-N -1 3 363.393 3.258 20 0 FGADHM CCc1c(C)sc(NC(=O)Cc2ccc(F)c(F)c2)c1-c1nn[n-]n1 ZINC000821466755 606677034 /nfs/dbraw/zinc/67/70/34/606677034.db2.gz ZLPFVHVFKJTASM-UHFFFAOYSA-N -1 3 363.393 3.258 20 0 FGADHM CC[C@](C)(NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000820852541 606678175 /nfs/dbraw/zinc/67/81/75/606678175.db2.gz CGYOEFABPMKMFG-SFHVURJKSA-N -1 3 357.364 3.200 20 0 FGADHM CC[C@](C)(NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000820852541 606678176 /nfs/dbraw/zinc/67/81/76/606678176.db2.gz CGYOEFABPMKMFG-SFHVURJKSA-N -1 3 357.364 3.200 20 0 FGADHM Cc1ccc(C[C@H](C)N(C)C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1 ZINC000822234959 606681821 /nfs/dbraw/zinc/68/18/21/606681821.db2.gz MUIKBIXKLUWRSS-LBPRGKRZSA-N -1 3 371.391 3.157 20 0 FGADHM Cc1ccc(C[C@H](C)N(C)C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1 ZINC000822234959 606681822 /nfs/dbraw/zinc/68/18/22/606681822.db2.gz MUIKBIXKLUWRSS-LBPRGKRZSA-N -1 3 371.391 3.157 20 0 FGADHM C[C@H](c1ccccc1)[C@H](C)NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820385806 606684838 /nfs/dbraw/zinc/68/48/38/606684838.db2.gz UNZGCTKZCMSSBB-QWRGUYRKSA-N -1 3 357.364 3.067 20 0 FGADHM C[C@H](c1ccccc1)[C@H](C)NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820385806 606684839 /nfs/dbraw/zinc/68/48/39/606684839.db2.gz UNZGCTKZCMSSBB-QWRGUYRKSA-N -1 3 357.364 3.067 20 0 FGADHM C[C@@H](OC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1)c1cc(F)cc(F)c1 ZINC000820550823 606686661 /nfs/dbraw/zinc/68/66/61/606686661.db2.gz ZLSBPBLQINXYPO-MNOVXSKESA-N -1 3 374.347 3.217 20 0 FGADHM C[C@@H](OC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1)c1cc(F)cc(F)c1 ZINC000820550823 606686662 /nfs/dbraw/zinc/68/66/62/606686662.db2.gz ZLSBPBLQINXYPO-MNOVXSKESA-N -1 3 374.347 3.217 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N1CC[C@@H](c2ccc(F)cc2)C1 ZINC000823332944 606696632 /nfs/dbraw/zinc/69/66/32/606696632.db2.gz VGKPUWZCSCODHX-GFCCVEGCSA-N -1 3 370.363 3.166 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N1CC[C@@H](c2ccc(F)cc2)C1 ZINC000823332944 606696633 /nfs/dbraw/zinc/69/66/33/606696633.db2.gz VGKPUWZCSCODHX-GFCCVEGCSA-N -1 3 370.363 3.166 20 0 FGADHM CC1(C(=O)Nc2ccc(OCc3cccc(-c4nnn[n-]4)c3)c(F)c2)CC1 ZINC000820576937 606727061 /nfs/dbraw/zinc/72/70/61/606727061.db2.gz DAPQIYWRVWVNGL-UHFFFAOYSA-N -1 3 367.384 3.323 20 0 FGADHM CC1(C(=O)Nc2ccc(OCc3cccc(-c4nn[n-]n4)c3)c(F)c2)CC1 ZINC000820576937 606727063 /nfs/dbraw/zinc/72/70/63/606727063.db2.gz DAPQIYWRVWVNGL-UHFFFAOYSA-N -1 3 367.384 3.323 20 0 FGADHM CCc1ccc(CCOC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1 ZINC000821482933 606749300 /nfs/dbraw/zinc/74/93/00/606749300.db2.gz WPANYLHXSIKLLU-UHFFFAOYSA-N -1 3 358.348 3.107 20 0 FGADHM CCc1ccc(CCOC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1 ZINC000821482933 606749302 /nfs/dbraw/zinc/74/93/02/606749302.db2.gz WPANYLHXSIKLLU-UHFFFAOYSA-N -1 3 358.348 3.107 20 0 FGADHM C[C@@H](OC1CCCCCC1)C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820518420 606763974 /nfs/dbraw/zinc/76/39/74/606763974.db2.gz DHPDGVNKTRTEEN-GFCCVEGCSA-N -1 3 362.405 3.177 20 0 FGADHM C[C@@H](OC1CCCCCC1)C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820518420 606763976 /nfs/dbraw/zinc/76/39/76/606763976.db2.gz DHPDGVNKTRTEEN-GFCCVEGCSA-N -1 3 362.405 3.177 20 0 FGADHM Cc1ccc(Cl)c(NCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)c1 ZINC000822240023 606777145 /nfs/dbraw/zinc/77/71/45/606777145.db2.gz OTXUTTQMYVGTEV-UHFFFAOYSA-N -1 3 367.800 3.491 20 0 FGADHM Cc1ccc(Cl)c(NCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)c1 ZINC000822240023 606777146 /nfs/dbraw/zinc/77/71/46/606777146.db2.gz OTXUTTQMYVGTEV-UHFFFAOYSA-N -1 3 367.800 3.491 20 0 FGADHM Clc1ccc(-c2nnn[n-]2)c(OCc2nnc(-c3ccccc3)o2)c1 ZINC000822573638 606781320 /nfs/dbraw/zinc/78/13/20/606781320.db2.gz CMFTXIAIICFEMD-UHFFFAOYSA-N -1 3 354.757 3.149 20 0 FGADHM Clc1ccc(-c2nn[n-]n2)c(OCc2nnc(-c3ccccc3)o2)c1 ZINC000822573638 606781322 /nfs/dbraw/zinc/78/13/22/606781322.db2.gz CMFTXIAIICFEMD-UHFFFAOYSA-N -1 3 354.757 3.149 20 0 FGADHM C[C@H](Sc1ncc(C(C)(C)C)o1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000820554973 606786724 /nfs/dbraw/zinc/78/67/24/606786724.db2.gz CNGQULKBXVYXQW-JTQLQIEISA-N -1 3 372.454 3.272 20 0 FGADHM C[C@H](Sc1ncc(C(C)(C)C)o1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000820554973 606786725 /nfs/dbraw/zinc/78/67/25/606786725.db2.gz CNGQULKBXVYXQW-JTQLQIEISA-N -1 3 372.454 3.272 20 0 FGADHM CCc1c[nH]c(SCc2ccc(-c3nnn[n-]3)cc2OC(F)F)n1 ZINC000821466496 606787030 /nfs/dbraw/zinc/78/70/30/606787030.db2.gz YBWSGLWNZTUBBQ-UHFFFAOYSA-N -1 3 352.370 3.046 20 0 FGADHM CCc1c[nH]c(SCc2ccc(-c3nn[n-]n3)cc2OC(F)F)n1 ZINC000821466496 606787031 /nfs/dbraw/zinc/78/70/31/606787031.db2.gz YBWSGLWNZTUBBQ-UHFFFAOYSA-N -1 3 352.370 3.046 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)N(C)CC(F)F)cc1 ZINC000822136992 606791199 /nfs/dbraw/zinc/79/11/99/606791199.db2.gz SNTYKPQJPBGVQO-UHFFFAOYSA-N -1 3 373.363 3.305 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)N(C)CC(F)F)cc1 ZINC000822136992 606791201 /nfs/dbraw/zinc/79/12/01/606791201.db2.gz SNTYKPQJPBGVQO-UHFFFAOYSA-N -1 3 373.363 3.305 20 0 FGADHM CC(C)CC1(CNC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)CCC1 ZINC000820061482 606793361 /nfs/dbraw/zinc/79/33/61/606793361.db2.gz CQAXWAROSVYZSQ-CQSZACIVSA-N -1 3 356.474 3.443 20 0 FGADHM CC(C)CC1(CNC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)CCC1 ZINC000820061482 606793364 /nfs/dbraw/zinc/79/33/64/606793364.db2.gz CQAXWAROSVYZSQ-CQSZACIVSA-N -1 3 356.474 3.443 20 0 FGADHM COc1ccc(OC(F)F)c(CNc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000821839529 606799361 /nfs/dbraw/zinc/79/93/61/606799361.db2.gz WAGVWZUBCCSXRJ-UHFFFAOYSA-N -1 3 365.315 3.228 20 0 FGADHM COc1ccc(OC(F)F)c(CNc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000821839529 606799363 /nfs/dbraw/zinc/79/93/63/606799363.db2.gz WAGVWZUBCCSXRJ-UHFFFAOYSA-N -1 3 365.315 3.228 20 0 FGADHM CSc1cc(C)ccc1CNC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000821978137 606812425 /nfs/dbraw/zinc/81/24/25/606812425.db2.gz JNWIDUGYDOIPKM-MDZDMXLPSA-N -1 3 365.462 3.227 20 0 FGADHM CSc1cc(C)ccc1CNC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000821978137 606812427 /nfs/dbraw/zinc/81/24/27/606812427.db2.gz JNWIDUGYDOIPKM-MDZDMXLPSA-N -1 3 365.462 3.227 20 0 FGADHM CCCC[C@H](NC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1)C1CCC1 ZINC000821042556 606816985 /nfs/dbraw/zinc/81/69/85/606816985.db2.gz DWSBRFOLQFBBAO-CJNGLKHVSA-N -1 3 357.458 3.109 20 0 FGADHM CCCC[C@H](NC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1)C1CCC1 ZINC000821042556 606816986 /nfs/dbraw/zinc/81/69/86/606816986.db2.gz DWSBRFOLQFBBAO-CJNGLKHVSA-N -1 3 357.458 3.109 20 0 FGADHM Cc1cc(-c2nn[n-]n2)cc(C)c1OCC(=O)N(C(C)C)C1CCCC1 ZINC000822128427 606825411 /nfs/dbraw/zinc/82/54/11/606825411.db2.gz CDKLQFFUUFPJGN-UHFFFAOYSA-N -1 3 357.458 3.042 20 0 FGADHM CC(=O)c1cc(F)ccc1OCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000819832838 606837090 /nfs/dbraw/zinc/83/70/90/606837090.db2.gz BHMJKVXYMRSUQS-UHFFFAOYSA-N -1 3 356.357 3.056 20 0 FGADHM CC(=O)c1cc(F)ccc1OCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000819832838 606837092 /nfs/dbraw/zinc/83/70/92/606837092.db2.gz BHMJKVXYMRSUQS-UHFFFAOYSA-N -1 3 356.357 3.056 20 0 FGADHM Cl/C=C(\Cl)COc1ccc(Br)cc1-c1nnn[n-]1 ZINC000822562516 606839383 /nfs/dbraw/zinc/83/93/83/606839383.db2.gz ACOHQCCEGBRXKZ-DAXSKMNVSA-N -1 3 350.003 3.327 20 0 FGADHM Cl/C=C(\Cl)COc1ccc(Br)cc1-c1nn[n-]n1 ZINC000822562516 606839385 /nfs/dbraw/zinc/83/93/85/606839385.db2.gz ACOHQCCEGBRXKZ-DAXSKMNVSA-N -1 3 350.003 3.327 20 0 FGADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)C1(Cc2ccccc2)CCC1 ZINC000823235416 606868554 /nfs/dbraw/zinc/86/85/54/606868554.db2.gz TWAIIXCWBBGTKL-UHFFFAOYSA-N -1 3 365.412 3.035 20 0 FGADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)C1(Cc2ccccc2)CCC1 ZINC000823235416 606868556 /nfs/dbraw/zinc/86/85/56/606868556.db2.gz TWAIIXCWBBGTKL-UHFFFAOYSA-N -1 3 365.412 3.035 20 0 FGADHM Cn1ccc(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)c1 ZINC000822684954 606875801 /nfs/dbraw/zinc/87/58/01/606875801.db2.gz NMONWEBWBKXDHI-UHFFFAOYSA-N -1 3 360.377 3.250 20 0 FGADHM Cn1ccc(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)c1 ZINC000822684954 606875802 /nfs/dbraw/zinc/87/58/02/606875802.db2.gz NMONWEBWBKXDHI-UHFFFAOYSA-N -1 3 360.377 3.250 20 0 FGADHM C[C@H]1CC[C@H](C)N1C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000820684119 606878724 /nfs/dbraw/zinc/87/87/24/606878724.db2.gz MFONFYKWHDZUMU-STQMWFEESA-N -1 3 364.409 3.067 20 0 FGADHM C[C@H]1CC[C@H](C)N1C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000820684119 606878725 /nfs/dbraw/zinc/87/87/25/606878725.db2.gz MFONFYKWHDZUMU-STQMWFEESA-N -1 3 364.409 3.067 20 0 FGADHM c1ccc2c(c1)ncc(-c1nnn[n-]1)c2N1CCOC2(C1)CCCCCC2 ZINC000823797778 606879865 /nfs/dbraw/zinc/87/98/65/606879865.db2.gz RPHMHYSJRBQRLW-UHFFFAOYSA-N -1 3 364.453 3.345 20 0 FGADHM c1ccc2c(c1)ncc(-c1nn[n-]n1)c2N1CCOC2(C1)CCCCCC2 ZINC000823797778 606879867 /nfs/dbraw/zinc/87/98/67/606879867.db2.gz RPHMHYSJRBQRLW-UHFFFAOYSA-N -1 3 364.453 3.345 20 0 FGADHM CN(Cc1nc(-c2ccccc2)c[nH]1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821616803 606880371 /nfs/dbraw/zinc/88/03/71/606880371.db2.gz IGLRYEWKINNGTC-UHFFFAOYSA-N -1 3 367.363 3.171 20 0 FGADHM CN(Cc1nc(-c2ccccc2)c[nH]1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821616803 606880374 /nfs/dbraw/zinc/88/03/74/606880374.db2.gz IGLRYEWKINNGTC-UHFFFAOYSA-N -1 3 367.363 3.171 20 0 FGADHM Cc1cc(F)c(C(=O)O[C@H](C)COc2cccc(-c3nnn[n-]3)c2)cc1F ZINC000822202190 606892083 /nfs/dbraw/zinc/89/20/83/606892083.db2.gz OPTCHZHAYQOTLC-LLVKDONJSA-N -1 3 374.347 3.078 20 0 FGADHM Cc1cc(F)c(C(=O)O[C@H](C)COc2cccc(-c3nn[n-]n3)c2)cc1F ZINC000822202190 606892084 /nfs/dbraw/zinc/89/20/84/606892084.db2.gz OPTCHZHAYQOTLC-LLVKDONJSA-N -1 3 374.347 3.078 20 0 FGADHM CCc1nnc(N2CCC[C@@H]2c2cccs2)c(-c2nnn[n-]2)c1CC ZINC000821523269 606909064 /nfs/dbraw/zinc/90/90/64/606909064.db2.gz SZKHGURCFACJJP-CYBMUJFWSA-N -1 3 355.471 3.185 20 0 FGADHM CCc1nnc(N2CCC[C@@H]2c2cccs2)c(-c2nn[n-]n2)c1CC ZINC000821523269 606909065 /nfs/dbraw/zinc/90/90/65/606909065.db2.gz SZKHGURCFACJJP-CYBMUJFWSA-N -1 3 355.471 3.185 20 0 FGADHM CCOc1cc2c(cc1NCc1ccc(F)c(-c3nnn[n-]3)c1)O[C@@H](C)C2 ZINC000821400382 606928745 /nfs/dbraw/zinc/92/87/45/606928745.db2.gz ITZPEPVJFIXQFR-NSHDSACASA-N -1 3 369.400 3.340 20 0 FGADHM CCOc1cc2c(cc1NCc1ccc(F)c(-c3nn[n-]n3)c1)O[C@@H](C)C2 ZINC000821400382 606928746 /nfs/dbraw/zinc/92/87/46/606928746.db2.gz ITZPEPVJFIXQFR-NSHDSACASA-N -1 3 369.400 3.340 20 0 FGADHM Fc1ccc(NCc2ccc(F)c(-c3nnn[n-]3)c2)c(OC(F)F)c1 ZINC000822782802 606931864 /nfs/dbraw/zinc/93/18/64/606931864.db2.gz HLXXFBWVRANXFC-UHFFFAOYSA-N -1 3 353.279 3.358 20 0 FGADHM Fc1ccc(NCc2ccc(F)c(-c3nn[n-]n3)c2)c(OC(F)F)c1 ZINC000822782802 606931865 /nfs/dbraw/zinc/93/18/65/606931865.db2.gz HLXXFBWVRANXFC-UHFFFAOYSA-N -1 3 353.279 3.358 20 0 FGADHM Cc1coc(-c2cc(NC(=O)Cc3ccc(-c4nnn[n-]4)cc3)ccc2C)n1 ZINC000822403779 606938819 /nfs/dbraw/zinc/93/88/19/606938819.db2.gz UNZIURQBOLIHDW-UHFFFAOYSA-N -1 3 374.404 3.320 20 0 FGADHM Cc1coc(-c2cc(NC(=O)Cc3ccc(-c4nn[n-]n4)cc3)ccc2C)n1 ZINC000822403779 606938821 /nfs/dbraw/zinc/93/88/21/606938821.db2.gz UNZIURQBOLIHDW-UHFFFAOYSA-N -1 3 374.404 3.320 20 0 FGADHM CSC1(CNc2ccc(C(F)(F)F)cc2-c2nnn[n-]2)CCOCC1 ZINC000821950880 606939127 /nfs/dbraw/zinc/93/91/27/606939127.db2.gz RJIJQTFEIGAJBE-UHFFFAOYSA-N -1 3 373.404 3.210 20 0 FGADHM CSC1(CNc2ccc(C(F)(F)F)cc2-c2nn[n-]n2)CCOCC1 ZINC000821950880 606939129 /nfs/dbraw/zinc/93/91/29/606939129.db2.gz RJIJQTFEIGAJBE-UHFFFAOYSA-N -1 3 373.404 3.210 20 0 FGADHM c1ccc(-c2nc3c(c(Sc4cccc(-c5nnn[n-]5)c4)n2)CCC3)nc1 ZINC000823767411 606945533 /nfs/dbraw/zinc/94/55/33/606945533.db2.gz QTCSTQBWPKZMRO-UHFFFAOYSA-N -1 3 373.445 3.359 20 0 FGADHM c1ccc(-c2nc3c(c(Sc4cccc(-c5nn[n-]n5)c4)n2)CCC3)nc1 ZINC000823767411 606945534 /nfs/dbraw/zinc/94/55/34/606945534.db2.gz QTCSTQBWPKZMRO-UHFFFAOYSA-N -1 3 373.445 3.359 20 0 FGADHM C[C@H]1CC[C@@H](C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCCC3)O1 ZINC000820677314 606956388 /nfs/dbraw/zinc/95/63/88/606956388.db2.gz QPEVDVAVBWVOKM-JQWIXIFHSA-N -1 3 361.471 3.093 20 0 FGADHM C[C@H]1CC[C@@H](C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCCC3)O1 ZINC000820677314 606956390 /nfs/dbraw/zinc/95/63/90/606956390.db2.gz QPEVDVAVBWVOKM-JQWIXIFHSA-N -1 3 361.471 3.093 20 0 FGADHM CC(C)COc1ccc([C@@H](C)NC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000820102662 606956946 /nfs/dbraw/zinc/95/69/46/606956946.db2.gz FYWAWNMTVQOSLQ-CQSZACIVSA-N -1 3 365.437 3.393 20 0 FGADHM CC(C)COc1ccc([C@@H](C)NC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000820102662 606956947 /nfs/dbraw/zinc/95/69/47/606956947.db2.gz FYWAWNMTVQOSLQ-CQSZACIVSA-N -1 3 365.437 3.393 20 0 FGADHM C[C@@H]1CC[C@@H](C(=O)Nc2sc(-c3ccccc3)cc2-c2nnn[n-]2)O1 ZINC000820678650 606957114 /nfs/dbraw/zinc/95/71/14/606957114.db2.gz WTPARTVHAWLSCP-MFKMUULPSA-N -1 3 355.423 3.101 20 0 FGADHM C[C@@H]1CC[C@@H](C(=O)Nc2sc(-c3ccccc3)cc2-c2nn[n-]n2)O1 ZINC000820678650 606957115 /nfs/dbraw/zinc/95/71/15/606957115.db2.gz WTPARTVHAWLSCP-MFKMUULPSA-N -1 3 355.423 3.101 20 0 FGADHM CN(C(=O)[C@@H]1CCc2ccccc21)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821569503 606960760 /nfs/dbraw/zinc/96/07/60/606960760.db2.gz MOGWSPPDWMOKNI-CQSZACIVSA-N -1 3 353.813 3.213 20 0 FGADHM CN(C(=O)[C@@H]1CCc2ccccc21)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821569503 606960761 /nfs/dbraw/zinc/96/07/61/606960761.db2.gz MOGWSPPDWMOKNI-CQSZACIVSA-N -1 3 353.813 3.213 20 0 FGADHM CC[C@@H](C)c1ccccc1OCC(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC000820881648 606971307 /nfs/dbraw/zinc/97/13/07/606971307.db2.gz CHGXCSSEOTYUKM-CQSZACIVSA-N -1 3 365.437 3.422 20 0 FGADHM CC[C@@H](C)c1ccccc1OCC(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC000820881648 606971309 /nfs/dbraw/zinc/97/13/09/606971309.db2.gz CHGXCSSEOTYUKM-CQSZACIVSA-N -1 3 365.437 3.422 20 0 FGADHM CN(C(=O)Cc1cccc(C(F)(F)F)c1)c1ccccc1-c1nnn[n-]1 ZINC000821572001 606971965 /nfs/dbraw/zinc/97/19/65/606971965.db2.gz NZVIGMVVMBOBSK-UHFFFAOYSA-N -1 3 361.327 3.091 20 0 FGADHM CN(C(=O)Cc1cccc(C(F)(F)F)c1)c1ccccc1-c1nn[n-]n1 ZINC000821572001 606971967 /nfs/dbraw/zinc/97/19/67/606971967.db2.gz NZVIGMVVMBOBSK-UHFFFAOYSA-N -1 3 361.327 3.091 20 0 FGADHM Cc1cc2occ(CC(=O)N(C)c3ccccc3-c3nnn[n-]3)c2cc1C ZINC000822213226 606972411 /nfs/dbraw/zinc/97/24/11/606972411.db2.gz ZPAQGCANRHHVSF-UHFFFAOYSA-N -1 3 361.405 3.435 20 0 FGADHM Cc1cc2occ(CC(=O)N(C)c3ccccc3-c3nn[n-]n3)c2cc1C ZINC000822213226 606972412 /nfs/dbraw/zinc/97/24/12/606972412.db2.gz ZPAQGCANRHHVSF-UHFFFAOYSA-N -1 3 361.405 3.435 20 0 FGADHM Cc1cccc(OCCCC(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000822327273 606989127 /nfs/dbraw/zinc/98/91/27/606989127.db2.gz FCNMXWJGTSMVMR-UHFFFAOYSA-N -1 3 370.384 3.217 20 0 FGADHM Cc1cccc(OCCCC(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000822327273 606989128 /nfs/dbraw/zinc/98/91/28/606989128.db2.gz FCNMXWJGTSMVMR-UHFFFAOYSA-N -1 3 370.384 3.217 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)c1nc(Cl)ccc1Cl ZINC000823427046 606989602 /nfs/dbraw/zinc/98/96/02/606989602.db2.gz STARGMMEHMVYGY-UHFFFAOYSA-N -1 3 368.155 3.065 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)c1nc(Cl)ccc1Cl ZINC000823427046 606989604 /nfs/dbraw/zinc/98/96/04/606989604.db2.gz STARGMMEHMVYGY-UHFFFAOYSA-N -1 3 368.155 3.065 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1C(F)(F)F ZINC000823427174 606991412 /nfs/dbraw/zinc/99/14/12/606991412.db2.gz ZSZPBUMLLOWQNI-UHFFFAOYSA-N -1 3 366.274 3.382 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1C(F)(F)F ZINC000823427174 606991413 /nfs/dbraw/zinc/99/14/13/606991413.db2.gz ZSZPBUMLLOWQNI-UHFFFAOYSA-N -1 3 366.274 3.382 20 0 FGADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc(-c2ccco2)s1 ZINC000821613167 606992120 /nfs/dbraw/zinc/99/21/20/606992120.db2.gz AILMKXWHJPLPOK-UHFFFAOYSA-N -1 3 365.418 3.460 20 0 FGADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc(-c2ccco2)s1 ZINC000821613167 606992121 /nfs/dbraw/zinc/99/21/21/606992121.db2.gz AILMKXWHJPLPOK-UHFFFAOYSA-N -1 3 365.418 3.460 20 0 FGADHM Cc1cccc(C)c1OCCC(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822299708 606993732 /nfs/dbraw/zinc/99/37/32/606993732.db2.gz RWAKVWCZDDWKOP-UHFFFAOYSA-N -1 3 370.384 3.135 20 0 FGADHM Cc1cccc(C)c1OCCC(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822299708 606993733 /nfs/dbraw/zinc/99/37/33/606993733.db2.gz RWAKVWCZDDWKOP-UHFFFAOYSA-N -1 3 370.384 3.135 20 0 FGADHM COc1cccc2cc(C(=O)OCc3ccc(F)c(-c4nnn[n-]4)c3)oc21 ZINC000821877587 606995009 /nfs/dbraw/zinc/99/50/09/606995009.db2.gz MTHWBLZGYXTRQQ-UHFFFAOYSA-N -1 3 368.324 3.118 20 0 FGADHM COc1cccc2cc(C(=O)OCc3ccc(F)c(-c4nn[n-]n4)c3)oc21 ZINC000821877587 606995011 /nfs/dbraw/zinc/99/50/11/606995011.db2.gz MTHWBLZGYXTRQQ-UHFFFAOYSA-N -1 3 368.324 3.118 20 0 FGADHM CC(C)(C)c1ncc(C(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)s1 ZINC000819965861 606996403 /nfs/dbraw/zinc/99/64/03/606996403.db2.gz PWQWBQFMKJIHBM-UHFFFAOYSA-N -1 3 361.402 3.117 20 0 FGADHM CC(C)(C)c1ncc(C(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)s1 ZINC000819965861 606996405 /nfs/dbraw/zinc/99/64/05/606996405.db2.gz PWQWBQFMKJIHBM-UHFFFAOYSA-N -1 3 361.402 3.117 20 0 FGADHM CC[C@H](Oc1ccccc1C)C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820937653 607001132 /nfs/dbraw/zinc/00/11/32/607001132.db2.gz BINPXERMGIJYLK-INIZCTEOSA-N -1 3 370.384 3.215 20 0 FGADHM CC[C@H](Oc1ccccc1C)C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820937653 607001134 /nfs/dbraw/zinc/00/11/34/607001134.db2.gz BINPXERMGIJYLK-INIZCTEOSA-N -1 3 370.384 3.215 20 0 FGADHM COc1ccc(CNc2ncc(-c3nnn[n-]3)cc2Cl)cc1Cl ZINC000821823877 607038252 /nfs/dbraw/zinc/03/82/52/607038252.db2.gz FNBCQXOVTDCQDT-UHFFFAOYSA-N -1 3 351.197 3.189 20 0 FGADHM COc1ccc(CNc2ncc(-c3nn[n-]n3)cc2Cl)cc1Cl ZINC000821823877 607038253 /nfs/dbraw/zinc/03/82/53/607038253.db2.gz FNBCQXOVTDCQDT-UHFFFAOYSA-N -1 3 351.197 3.189 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1CCc2ccccc21 ZINC000821118468 607042631 /nfs/dbraw/zinc/04/26/31/607042631.db2.gz NMLTVKNXPPEBIA-MRXNPFEDSA-N -1 3 362.437 3.357 20 0 FGADHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)NC1CCC(C)(C)CC1 ZINC000820589159 607044568 /nfs/dbraw/zinc/04/45/68/607044568.db2.gz AVOWVUTVBQEXQB-UHFFFAOYSA-N -1 3 357.458 3.109 20 0 FGADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NC1CCC(C)(C)CC1 ZINC000820589159 607044569 /nfs/dbraw/zinc/04/45/69/607044569.db2.gz AVOWVUTVBQEXQB-UHFFFAOYSA-N -1 3 357.458 3.109 20 0 FGADHM CC(C)c1cc(Oc2ccc(Br)cc2-c2nnn[n-]2)ncn1 ZINC000820187537 607045271 /nfs/dbraw/zinc/04/52/71/607045271.db2.gz GDUZRQMCPMQOOL-UHFFFAOYSA-N -1 3 361.203 3.335 20 0 FGADHM CC(C)c1cc(Oc2ccc(Br)cc2-c2nn[n-]n2)ncn1 ZINC000820187537 607045277 /nfs/dbraw/zinc/04/52/77/607045277.db2.gz GDUZRQMCPMQOOL-UHFFFAOYSA-N -1 3 361.203 3.335 20 0 FGADHM C[C@@H](NCc1ccc(-c2nn[n-]n2)cc1F)c1cc(F)c(F)c(F)c1 ZINC000820427563 607057062 /nfs/dbraw/zinc/05/70/62/607057062.db2.gz SXISTLAFFAYKCN-MRVPVSSYSA-N -1 3 351.307 3.274 20 0 FGADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc(F)nc1 ZINC000820087296 607077421 /nfs/dbraw/zinc/07/74/21/607077421.db2.gz OXTLNBIKDSLGTE-UHFFFAOYSA-N -1 3 369.404 3.091 20 0 FGADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc(F)nc1 ZINC000820087296 607077422 /nfs/dbraw/zinc/07/74/22/607077422.db2.gz OXTLNBIKDSLGTE-UHFFFAOYSA-N -1 3 369.404 3.091 20 0 FGADHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)OC/C=C\c1ccccc1 ZINC000820001600 607077613 /nfs/dbraw/zinc/07/76/13/607077613.db2.gz UMQWXRVKVMAWJS-TWGQIWQCSA-N -1 3 364.405 3.281 20 0 FGADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OC/C=C\c1ccccc1 ZINC000820001600 607077614 /nfs/dbraw/zinc/07/76/14/607077614.db2.gz UMQWXRVKVMAWJS-TWGQIWQCSA-N -1 3 364.405 3.281 20 0 FGADHM C[C@H](SCc1ccccc1)C(=O)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000820549496 607078658 /nfs/dbraw/zinc/07/86/58/607078658.db2.gz NTNBJGRGNQZLIX-LBPRGKRZSA-N -1 3 372.425 3.371 20 0 FGADHM C[C@H](SCc1ccccc1)C(=O)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000820549496 607078659 /nfs/dbraw/zinc/07/86/59/607078659.db2.gz NTNBJGRGNQZLIX-LBPRGKRZSA-N -1 3 372.425 3.371 20 0 FGADHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000823413450 607079506 /nfs/dbraw/zinc/07/95/06/607079506.db2.gz HSJKMXOBEQDAPU-ONGXEEELSA-N -1 3 372.322 3.418 20 0 FGADHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000823413450 607079509 /nfs/dbraw/zinc/07/95/09/607079509.db2.gz HSJKMXOBEQDAPU-ONGXEEELSA-N -1 3 372.322 3.418 20 0 FGADHM CCC(=O)c1ccc(OC(=O)CCc2ccc(-c3nnn[n-]3)cc2)c(F)c1 ZINC000820841684 607093245 /nfs/dbraw/zinc/09/32/45/607093245.db2.gz BXJNLWZLNRFXRH-UHFFFAOYSA-N -1 3 368.368 3.137 20 0 FGADHM CCC(=O)c1ccc(OC(=O)CCc2ccc(-c3nn[n-]n3)cc2)c(F)c1 ZINC000820841684 607093246 /nfs/dbraw/zinc/09/32/46/607093246.db2.gz BXJNLWZLNRFXRH-UHFFFAOYSA-N -1 3 368.368 3.137 20 0 FGADHM Cc1cc(OC(=O)c2cc(-c3nnn[n-]3)cs2)ccc1Br ZINC000822210431 607093571 /nfs/dbraw/zinc/09/35/71/607093571.db2.gz AURVXJYACUNUCW-UHFFFAOYSA-N -1 3 365.212 3.218 20 0 FGADHM Cc1cc(OC(=O)c2cc(-c3nn[n-]n3)cs2)ccc1Br ZINC000822210431 607093573 /nfs/dbraw/zinc/09/35/73/607093573.db2.gz AURVXJYACUNUCW-UHFFFAOYSA-N -1 3 365.212 3.218 20 0 FGADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H](C)c1ccc(OC)cc1 ZINC000821294077 607100826 /nfs/dbraw/zinc/10/08/26/607100826.db2.gz RGEOFIDTGXFONS-LBPRGKRZSA-N -1 3 366.425 3.049 20 0 FGADHM C[C@@H]1CN(Cc2ccc(F)cc2-c2nnn[n-]2)C[C@H](c2ccsc2)O1 ZINC000820759390 607122615 /nfs/dbraw/zinc/12/26/15/607122615.db2.gz KTSCYYPRIIKEOB-BDJLRTHQSA-N -1 3 359.430 3.029 20 0 FGADHM C[C@@H]1CN(Cc2ccc(F)cc2-c2nn[n-]n2)C[C@H](c2ccsc2)O1 ZINC000820759390 607122616 /nfs/dbraw/zinc/12/26/16/607122616.db2.gz KTSCYYPRIIKEOB-BDJLRTHQSA-N -1 3 359.430 3.029 20 0 FGADHM COc1cccc(CCCn2ccc(-c3ccc(-c4nnn[n-]4)cc3)n2)c1 ZINC000821868019 607124525 /nfs/dbraw/zinc/12/45/25/607124525.db2.gz NUYOEMNAHBAWNL-UHFFFAOYSA-N -1 3 360.421 3.372 20 0 FGADHM COc1cccc(CCCn2ccc(-c3ccc(-c4nn[n-]n4)cc3)n2)c1 ZINC000821868019 607124526 /nfs/dbraw/zinc/12/45/26/607124526.db2.gz NUYOEMNAHBAWNL-UHFFFAOYSA-N -1 3 360.421 3.372 20 0 FGADHM Cn1cncc1CNc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000822704851 607125479 /nfs/dbraw/zinc/12/54/79/607125479.db2.gz PLCGYQWKJIMWFN-UHFFFAOYSA-N -1 3 365.372 3.144 20 0 FGADHM Cn1cncc1CNc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000822704851 607125480 /nfs/dbraw/zinc/12/54/80/607125480.db2.gz PLCGYQWKJIMWFN-UHFFFAOYSA-N -1 3 365.372 3.144 20 0 FGADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(N[C@@H]2CCOC3(CCCC3)C2)n1 ZINC000822723646 607129959 /nfs/dbraw/zinc/12/99/59/607129959.db2.gz JFUWZYJIOZZMCV-SNVBAGLBSA-N -1 3 368.363 3.184 20 0 FGADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(N[C@@H]2CCOC3(CCCC3)C2)n1 ZINC000822723646 607129960 /nfs/dbraw/zinc/12/99/60/607129960.db2.gz JFUWZYJIOZZMCV-SNVBAGLBSA-N -1 3 368.363 3.184 20 0 FGADHM c1c2c(nc(N[C@@H]3CCOC4(CCCCC4)C3)c1-c1nnn[n-]1)CCC2 ZINC000823738653 607131638 /nfs/dbraw/zinc/13/16/38/607131638.db2.gz XRHHZYGHHZVQND-CQSZACIVSA-N -1 3 354.458 3.044 20 0 FGADHM c1c2c(nc(N[C@@H]3CCOC4(CCCCC4)C3)c1-c1nn[n-]n1)CCC2 ZINC000823738653 607131639 /nfs/dbraw/zinc/13/16/39/607131639.db2.gz XRHHZYGHHZVQND-CQSZACIVSA-N -1 3 354.458 3.044 20 0 FGADHM C[C@H](Oc1ccc(-c2nnn[n-]2)cc1F)C(=O)Nc1ccc(Cl)cc1 ZINC000820533838 607134073 /nfs/dbraw/zinc/13/40/73/607134073.db2.gz HCYVYIZFMMJNRA-VIFPVBQESA-N -1 3 361.764 3.065 20 0 FGADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1F)C(=O)Nc1ccc(Cl)cc1 ZINC000820533838 607134075 /nfs/dbraw/zinc/13/40/75/607134075.db2.gz HCYVYIZFMMJNRA-VIFPVBQESA-N -1 3 361.764 3.065 20 0 FGADHM Cc1cccc(C)c1NC(=O)[C@@H](C)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000822293585 607134624 /nfs/dbraw/zinc/13/46/24/607134624.db2.gz CRNKLNLHXVDNRH-GFCCVEGCSA-N -1 3 355.373 3.029 20 0 FGADHM Cc1cccc(C)c1NC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000822293585 607134625 /nfs/dbraw/zinc/13/46/25/607134625.db2.gz CRNKLNLHXVDNRH-GFCCVEGCSA-N -1 3 355.373 3.029 20 0 FGADHM Cc1cc(C)c(NC(=O)[C@H](C)Oc2ccc(-c3nnn[n-]3)cc2F)c(C)c1 ZINC000822194488 607138182 /nfs/dbraw/zinc/13/81/82/607138182.db2.gz ZWPLXXHJWVMTDG-ZDUSSCGKSA-N -1 3 369.400 3.337 20 0 FGADHM Cc1cc(C)c(NC(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2F)c(C)c1 ZINC000822194488 607138183 /nfs/dbraw/zinc/13/81/83/607138183.db2.gz ZWPLXXHJWVMTDG-ZDUSSCGKSA-N -1 3 369.400 3.337 20 0 FGADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OCc1cccc(Cl)n1 ZINC000821699075 607158326 /nfs/dbraw/zinc/15/83/26/607158326.db2.gz AUPNEILCHBHDPP-UHFFFAOYSA-N -1 3 352.181 3.156 20 0 FGADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OCc1cccc(Cl)n1 ZINC000821699075 607158327 /nfs/dbraw/zinc/15/83/27/607158327.db2.gz AUPNEILCHBHDPP-UHFFFAOYSA-N -1 3 352.181 3.156 20 0 FGADHM C[C@@H](N[C@H](C)c1ccc(-c2nnn[n-]2)cc1)c1nc(-c2ccccc2)no1 ZINC000820411293 607171937 /nfs/dbraw/zinc/17/19/37/607171937.db2.gz IFISCCIPKWCOBQ-CHWSQXEVSA-N -1 3 361.409 3.329 20 0 FGADHM C[C@@H](N[C@H](C)c1ccc(-c2nn[n-]n2)cc1)c1nc(-c2ccccc2)no1 ZINC000820411293 607171938 /nfs/dbraw/zinc/17/19/38/607171938.db2.gz IFISCCIPKWCOBQ-CHWSQXEVSA-N -1 3 361.409 3.329 20 0 FGADHM O=C1NCCC[C@@H]1SCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000823547286 607172669 /nfs/dbraw/zinc/17/26/69/607172669.db2.gz HRSSDRZAXQNOLW-KRWDZBQOSA-N -1 3 365.462 3.046 20 0 FGADHM O=C1NCCC[C@@H]1SCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000823547286 607172670 /nfs/dbraw/zinc/17/26/70/607172670.db2.gz HRSSDRZAXQNOLW-KRWDZBQOSA-N -1 3 365.462 3.046 20 0 FGADHM CN(CCc1cccs1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821607223 607197182 /nfs/dbraw/zinc/19/71/82/607197182.db2.gz DYARLNSKNXBVSX-UHFFFAOYSA-N -1 3 362.846 3.288 20 0 FGADHM CN(CCc1cccs1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821607223 607197183 /nfs/dbraw/zinc/19/71/83/607197183.db2.gz DYARLNSKNXBVSX-UHFFFAOYSA-N -1 3 362.846 3.288 20 0 FGADHM CO[C@@H](CNC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)c1ccccc1 ZINC000821676871 607197396 /nfs/dbraw/zinc/19/73/96/607197396.db2.gz JCDWVCNKPAJSQQ-HNNXBMFYSA-N -1 3 372.816 3.029 20 0 FGADHM CO[C@@H](CNC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)c1ccccc1 ZINC000821676871 607197397 /nfs/dbraw/zinc/19/73/97/607197397.db2.gz JCDWVCNKPAJSQQ-HNNXBMFYSA-N -1 3 372.816 3.029 20 0 FGADHM CN(C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)C1Cc2ccccc2C1 ZINC000821572300 607199199 /nfs/dbraw/zinc/19/91/99/607199199.db2.gz ZBTBYEJHADZIBF-UHFFFAOYSA-N -1 3 368.828 3.151 20 0 FGADHM CN(C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)C1Cc2ccccc2C1 ZINC000821572300 607199200 /nfs/dbraw/zinc/19/92/00/607199200.db2.gz ZBTBYEJHADZIBF-UHFFFAOYSA-N -1 3 368.828 3.151 20 0 FGADHM C[C@@H](c1cccc(O)c1)N(C)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820563314 607201700 /nfs/dbraw/zinc/20/17/00/607201700.db2.gz PYLVEMQDORDLDO-JTQLQIEISA-N -1 3 372.816 3.451 20 0 FGADHM C[C@@H](c1cccc(O)c1)N(C)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820563314 607201701 /nfs/dbraw/zinc/20/17/01/607201701.db2.gz PYLVEMQDORDLDO-JTQLQIEISA-N -1 3 372.816 3.451 20 0 FGADHM O=C(N[C@@H]1CC2CCC1CC2)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000823144373 607214942 /nfs/dbraw/zinc/21/49/42/607214942.db2.gz FXKUYMLKVOXTLF-LEHRNKBSSA-N -1 3 366.469 3.119 20 0 FGADHM O=C(N[C@@H]1CC2CCC1CC2)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000823144373 607214943 /nfs/dbraw/zinc/21/49/43/607214943.db2.gz FXKUYMLKVOXTLF-LEHRNKBSSA-N -1 3 366.469 3.119 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1cccc2ncccc21 ZINC000823319645 607242661 /nfs/dbraw/zinc/24/26/61/607242661.db2.gz XASKVHGLJRZIKI-UHFFFAOYSA-N -1 3 350.769 3.321 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1cccc2ncccc21 ZINC000823319645 607242662 /nfs/dbraw/zinc/24/26/62/607242662.db2.gz XASKVHGLJRZIKI-UHFFFAOYSA-N -1 3 350.769 3.321 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1cnc2ccsc2c1 ZINC000823319050 607244200 /nfs/dbraw/zinc/24/42/00/607244200.db2.gz PPJXSPBDMMWLQE-UHFFFAOYSA-N -1 3 356.798 3.382 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1cnc2ccsc2c1 ZINC000823319050 607244201 /nfs/dbraw/zinc/24/42/01/607244201.db2.gz PPJXSPBDMMWLQE-UHFFFAOYSA-N -1 3 356.798 3.382 20 0 FGADHM O=C(Cn1ccc2ccc(Cl)cc21)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000823122612 607246527 /nfs/dbraw/zinc/24/65/27/607246527.db2.gz FOAGGQDTUMFYKK-UHFFFAOYSA-N -1 3 371.759 3.220 20 0 FGADHM O=C(Cn1ccc2ccc(Cl)cc21)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000823122612 607246528 /nfs/dbraw/zinc/24/65/28/607246528.db2.gz FOAGGQDTUMFYKK-UHFFFAOYSA-N -1 3 371.759 3.220 20 0 FGADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1C(F)(F)F ZINC000823449777 607249111 /nfs/dbraw/zinc/24/91/11/607249111.db2.gz CECFTKQAYRSTIO-UHFFFAOYSA-N -1 3 352.247 3.244 20 0 FGADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1C(F)(F)F ZINC000823449777 607249112 /nfs/dbraw/zinc/24/91/12/607249112.db2.gz CECFTKQAYRSTIO-UHFFFAOYSA-N -1 3 352.247 3.244 20 0 FGADHM Cc1cccc(OCCCCC(=O)Oc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000822327373 607249385 /nfs/dbraw/zinc/24/93/85/607249385.db2.gz HDMCFMXMDOYRBV-UHFFFAOYSA-N -1 3 370.384 3.469 20 0 FGADHM Cc1cccc(OCCCCC(=O)Oc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000822327373 607249386 /nfs/dbraw/zinc/24/93/86/607249386.db2.gz HDMCFMXMDOYRBV-UHFFFAOYSA-N -1 3 370.384 3.469 20 0 FGADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)c1csc(-c2ccccc2)n1 ZINC000823449739 607249857 /nfs/dbraw/zinc/24/98/57/607249857.db2.gz BDXXLZTXJKJALD-UHFFFAOYSA-N -1 3 367.365 3.349 20 0 FGADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)c1csc(-c2ccccc2)n1 ZINC000823449739 607249858 /nfs/dbraw/zinc/24/98/58/607249858.db2.gz BDXXLZTXJKJALD-UHFFFAOYSA-N -1 3 367.365 3.349 20 0 FGADHM COc1ccccc1C(C)=CC(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000821882685 607250534 /nfs/dbraw/zinc/25/05/34/607250534.db2.gz HZIIRROEEBNABZ-PKNBQFBNSA-N -1 3 354.341 3.023 20 0 FGADHM COc1ccccc1C(C)=CC(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000821882685 607250535 /nfs/dbraw/zinc/25/05/35/607250535.db2.gz HZIIRROEEBNABZ-PKNBQFBNSA-N -1 3 354.341 3.023 20 0 FGADHM CN(C(=O)c1nc(-c2ccccc2)cs1)c1ccccc1-c1nnn[n-]1 ZINC000825833256 607787606 /nfs/dbraw/zinc/78/76/06/607787606.db2.gz DLHDEAXTHXCNQG-UHFFFAOYSA-N -1 3 362.418 3.267 20 0 FGADHM CN(C(=O)c1nc(-c2ccccc2)cs1)c1ccccc1-c1nn[n-]n1 ZINC000825833256 607787607 /nfs/dbraw/zinc/78/76/07/607787607.db2.gz DLHDEAXTHXCNQG-UHFFFAOYSA-N -1 3 362.418 3.267 20 0 FGADHM Cc1c(Br)cccc1C(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC000826234505 607788319 /nfs/dbraw/zinc/78/83/19/607788319.db2.gz ZKPPMCNVCPFANT-UHFFFAOYSA-N -1 3 372.226 3.214 20 0 FGADHM Cc1c(Br)cccc1C(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC000826234505 607788320 /nfs/dbraw/zinc/78/83/20/607788320.db2.gz ZKPPMCNVCPFANT-UHFFFAOYSA-N -1 3 372.226 3.214 20 0 FGADHM CN(C(=O)COc1ccccc1C(C)(C)C)c1ccccc1-c1nnn[n-]1 ZINC000825820559 607789063 /nfs/dbraw/zinc/78/90/63/607789063.db2.gz KGNMLIGGQRYJLY-UHFFFAOYSA-N -1 3 365.437 3.206 20 0 FGADHM CN(C(=O)COc1ccccc1C(C)(C)C)c1ccccc1-c1nn[n-]n1 ZINC000825820559 607789064 /nfs/dbraw/zinc/78/90/64/607789064.db2.gz KGNMLIGGQRYJLY-UHFFFAOYSA-N -1 3 365.437 3.206 20 0 FGADHM COc1ccc(S[C@H](C)C(=O)N(C)c2ccccc2-c2nnn[n-]2)cc1 ZINC000826211830 607790171 /nfs/dbraw/zinc/79/01/71/607790171.db2.gz WNQHVQYEEWRUQI-GFCCVEGCSA-N -1 3 369.450 3.019 20 0 FGADHM COc1ccc(S[C@H](C)C(=O)N(C)c2ccccc2-c2nn[n-]n2)cc1 ZINC000826211830 607790172 /nfs/dbraw/zinc/79/01/72/607790172.db2.gz WNQHVQYEEWRUQI-GFCCVEGCSA-N -1 3 369.450 3.019 20 0 FGADHM Cc1nnccc1C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826337858 607794157 /nfs/dbraw/zinc/79/41/57/607794157.db2.gz CMJPNBQGPDCJLA-UHFFFAOYSA-N -1 3 373.376 3.010 20 0 FGADHM Cc1nnccc1C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826337858 607794158 /nfs/dbraw/zinc/79/41/58/607794158.db2.gz CMJPNBQGPDCJLA-UHFFFAOYSA-N -1 3 373.376 3.010 20 0 FGADHM CCN(C(=O)C[C@H](C)c1cccc(OC)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367226 607797038 /nfs/dbraw/zinc/79/70/38/607797038.db2.gz LKRMVFFGHNKSPE-AWEZNQCLSA-N -1 3 365.437 3.422 20 0 FGADHM CCN(C(=O)C[C@H](C)c1cccc(OC)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367226 607797039 /nfs/dbraw/zinc/79/70/39/607797039.db2.gz LKRMVFFGHNKSPE-AWEZNQCLSA-N -1 3 365.437 3.422 20 0 FGADHM CCN(C(=O)CCCc1ccc(OC)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825372136 607797329 /nfs/dbraw/zinc/79/73/29/607797329.db2.gz RABDTHXFMWEWSY-UHFFFAOYSA-N -1 3 365.437 3.251 20 0 FGADHM CCN(C(=O)CCCc1ccc(OC)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825372136 607797330 /nfs/dbraw/zinc/79/73/30/607797330.db2.gz RABDTHXFMWEWSY-UHFFFAOYSA-N -1 3 365.437 3.251 20 0 FGADHM CCN(C(=O)Cc1ccc(-n2cccc2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825376471 607799361 /nfs/dbraw/zinc/79/93/61/607799361.db2.gz HQEYUVHUTOGQNE-UHFFFAOYSA-N -1 3 372.432 3.253 20 0 FGADHM CCN(C(=O)Cc1ccc(-n2cccc2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825376471 607799362 /nfs/dbraw/zinc/79/93/62/607799362.db2.gz HQEYUVHUTOGQNE-UHFFFAOYSA-N -1 3 372.432 3.253 20 0 FGADHM O=C(NCCC1=CCCC1)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000826436096 607803984 /nfs/dbraw/zinc/80/39/84/607803984.db2.gz HURNIGWUVYLYKG-UHFFFAOYSA-N -1 3 364.356 3.090 20 0 FGADHM O=C(NCCC1=CCCC1)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000826436096 607803985 /nfs/dbraw/zinc/80/39/85/607803985.db2.gz HURNIGWUVYLYKG-UHFFFAOYSA-N -1 3 364.356 3.090 20 0 FGADHM CN(CCc1nccs1)c1c(-c2nnn[n-]2)cnc2ccc(Cl)cc21 ZINC000825950791 607811052 /nfs/dbraw/zinc/81/10/52/607811052.db2.gz VODQPWHKRZUTNJ-UHFFFAOYSA-N -1 3 371.857 3.204 20 0 FGADHM CN(CCc1nccs1)c1c(-c2nn[n-]n2)cnc2ccc(Cl)cc21 ZINC000825950791 607811053 /nfs/dbraw/zinc/81/10/53/607811053.db2.gz VODQPWHKRZUTNJ-UHFFFAOYSA-N -1 3 371.857 3.204 20 0 FGADHM Clc1ccc(COCCNc2nc3c(cc2-c2nnn[n-]2)CCC3)cc1 ZINC000826352008 607819393 /nfs/dbraw/zinc/81/93/93/607819393.db2.gz JORIMDNXELOTDP-UHFFFAOYSA-N -1 3 370.844 3.033 20 0 FGADHM Clc1ccc(COCCNc2nc3c(cc2-c2nn[n-]n2)CCC3)cc1 ZINC000826352008 607819394 /nfs/dbraw/zinc/81/93/94/607819394.db2.gz JORIMDNXELOTDP-UHFFFAOYSA-N -1 3 370.844 3.033 20 0 FGADHM Cc1cc(C)c(-c2nnn[n-]2)c(NCCOCc2ccc(Cl)cc2)n1 ZINC000826263320 607819541 /nfs/dbraw/zinc/81/95/41/607819541.db2.gz VRUIGKVOLKFONA-UHFFFAOYSA-N -1 3 358.833 3.161 20 0 FGADHM Cc1cc(C)c(-c2nn[n-]n2)c(NCCOCc2ccc(Cl)cc2)n1 ZINC000826263320 607819542 /nfs/dbraw/zinc/81/95/42/607819542.db2.gz VRUIGKVOLKFONA-UHFFFAOYSA-N -1 3 358.833 3.161 20 0 FGADHM FC(F)(F)c1cc(N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)ccc1-c1nnn[n-]1 ZINC000826368626 607821890 /nfs/dbraw/zinc/82/18/90/607821890.db2.gz WZLYRDXYLZFRFV-MRVWCRGKSA-N -1 3 365.359 3.255 20 0 FGADHM FC(F)(F)c1cc(N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)ccc1-c1nn[n-]n1 ZINC000826368626 607821891 /nfs/dbraw/zinc/82/18/91/607821891.db2.gz WZLYRDXYLZFRFV-MRVWCRGKSA-N -1 3 365.359 3.255 20 0 FGADHM O[C@@H](COc1ccc(-c2nnn[n-]2)cc1Cl)c1cccc(Cl)c1 ZINC000826504509 607872953 /nfs/dbraw/zinc/87/29/53/607872953.db2.gz XMCVAAKDAQDAAV-ZDUSSCGKSA-N -1 3 351.193 3.286 20 0 FGADHM O[C@@H](COc1ccc(-c2nn[n-]n2)cc1Cl)c1cccc(Cl)c1 ZINC000826504509 607872954 /nfs/dbraw/zinc/87/29/54/607872954.db2.gz XMCVAAKDAQDAAV-ZDUSSCGKSA-N -1 3 351.193 3.286 20 0 FGADHM CCc1cccc(C)c1NCc1cccc(C(=O)OC)c1-c1nnn[n-]1 ZINC000825722498 607879675 /nfs/dbraw/zinc/87/96/75/607879675.db2.gz IOKFJOUSOOSFNW-UHFFFAOYSA-N -1 3 351.410 3.136 20 0 FGADHM CCc1cccc(C)c1NCc1cccc(C(=O)OC)c1-c1nn[n-]n1 ZINC000825722498 607879676 /nfs/dbraw/zinc/87/96/76/607879676.db2.gz IOKFJOUSOOSFNW-UHFFFAOYSA-N -1 3 351.410 3.136 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000826173956 607880453 /nfs/dbraw/zinc/88/04/53/607880453.db2.gz CECYDDUFTCQYJA-KCQAQPDRSA-N -1 3 356.426 3.387 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000826173956 607880454 /nfs/dbraw/zinc/88/04/54/607880454.db2.gz CECYDDUFTCQYJA-KCQAQPDRSA-N -1 3 356.426 3.387 20 0 FGADHM C[C@H](Nc1cc(Cl)ccc1-c1nnn[n-]1)c1ccc([S@](C)=O)cc1 ZINC000824649097 607902595 /nfs/dbraw/zinc/90/25/95/607902595.db2.gz LGUODSCJZDTRAO-JUZXBQNTSA-N -1 3 361.858 3.431 20 0 FGADHM C[C@H](Nc1cc(Cl)ccc1-c1nn[n-]n1)c1ccc([S@](C)=O)cc1 ZINC000824649097 607902596 /nfs/dbraw/zinc/90/25/96/607902596.db2.gz LGUODSCJZDTRAO-JUZXBQNTSA-N -1 3 361.858 3.431 20 0 FGADHM C[C@H](Nc1c(F)cc(-c2nnn[n-]2)cc1F)c1ccc([S@@](C)=O)cc1 ZINC000824651196 607902796 /nfs/dbraw/zinc/90/27/96/607902796.db2.gz XMJQBIYJKVORAE-OLUQVHSISA-N -1 3 363.393 3.055 20 0 FGADHM C[C@H](Nc1c(F)cc(-c2nn[n-]n2)cc1F)c1ccc([S@@](C)=O)cc1 ZINC000824651196 607902797 /nfs/dbraw/zinc/90/27/97/607902797.db2.gz XMJQBIYJKVORAE-OLUQVHSISA-N -1 3 363.393 3.055 20 0 FGADHM Fc1cccc(N2CCC[C@H]2Cn2cnc3ccccc32)c1-c1nnn[n-]1 ZINC000826377532 607905705 /nfs/dbraw/zinc/90/57/05/607905705.db2.gz VZLRTLRRLBIDTH-ZDUSSCGKSA-N -1 3 363.400 3.025 20 0 FGADHM Fc1cccc(N2CCC[C@H]2Cn2cnc3ccccc32)c1-c1nn[n-]n1 ZINC000826377532 607905706 /nfs/dbraw/zinc/90/57/06/607905706.db2.gz VZLRTLRRLBIDTH-ZDUSSCGKSA-N -1 3 363.400 3.025 20 0 FGADHM O=C(N1CCc2ccc(-c3nnn[n-]3)cc21)C1(c2cccc(F)c2)CCC1 ZINC000826426320 607949636 /nfs/dbraw/zinc/94/96/36/607949636.db2.gz KZWPDJPYHHLDHR-UHFFFAOYSA-N -1 3 363.396 3.017 20 0 FGADHM O=C(N1CCc2ccc(-c3nn[n-]n3)cc21)C1(c2cccc(F)c2)CCC1 ZINC000826426320 607949637 /nfs/dbraw/zinc/94/96/37/607949637.db2.gz KZWPDJPYHHLDHR-UHFFFAOYSA-N -1 3 363.396 3.017 20 0 FGADHM O=C([C@@H]1CC[C@@H]2CCCC[C@@H]2C1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826398751 607950306 /nfs/dbraw/zinc/95/03/06/607950306.db2.gz FBYXIWOAIVKUCW-YSVLISHTSA-N -1 3 351.454 3.362 20 0 FGADHM O=C([C@@H]1CC[C@@H]2CCCC[C@@H]2C1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826398751 607950307 /nfs/dbraw/zinc/95/03/07/607950307.db2.gz FBYXIWOAIVKUCW-YSVLISHTSA-N -1 3 351.454 3.362 20 0 FGADHM O=C(c1cc2c(s1)CCCCC2)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826470369 607954419 /nfs/dbraw/zinc/95/44/19/607954419.db2.gz NKTBTONCSVVYDT-UHFFFAOYSA-N -1 3 365.462 3.400 20 0 FGADHM O=C(c1cc2c(s1)CCCCC2)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826470369 607954420 /nfs/dbraw/zinc/95/44/20/607954420.db2.gz NKTBTONCSVVYDT-UHFFFAOYSA-N -1 3 365.462 3.400 20 0 FGADHM CCC[C@H]1CN(c2c(-c3nnn[n-]3)cnc3c(C)cc(C)cc32)CCO1 ZINC000825259586 607969646 /nfs/dbraw/zinc/96/96/46/607969646.db2.gz JNNLAMOSWFUGIJ-AWEZNQCLSA-N -1 3 352.442 3.037 20 0 FGADHM CCC[C@H]1CN(c2c(-c3nn[n-]n3)cnc3c(C)cc(C)cc32)CCO1 ZINC000825259586 607969647 /nfs/dbraw/zinc/96/96/47/607969647.db2.gz JNNLAMOSWFUGIJ-AWEZNQCLSA-N -1 3 352.442 3.037 20 0 FGADHM Cc1ncc(C(=O)OCc2cccc(-c3nnn[n-]3)c2)c(Cl)c1Cl ZINC000826329378 607976679 /nfs/dbraw/zinc/97/66/79/607976679.db2.gz AHBVJNQFICWMIW-UHFFFAOYSA-N -1 3 364.192 3.234 20 0 FGADHM Cc1ncc(C(=O)OCc2cccc(-c3nn[n-]n3)c2)c(Cl)c1Cl ZINC000826329378 607976680 /nfs/dbraw/zinc/97/66/80/607976680.db2.gz AHBVJNQFICWMIW-UHFFFAOYSA-N -1 3 364.192 3.234 20 0 FGADHM Cc1ncc(C(=O)OCc2ccccc2-c2nnn[n-]2)c(Cl)c1Cl ZINC000826329871 607976768 /nfs/dbraw/zinc/97/67/68/607976768.db2.gz VPCJRGBDQIRGIV-UHFFFAOYSA-N -1 3 364.192 3.234 20 0 FGADHM Cc1ncc(C(=O)OCc2ccccc2-c2nn[n-]n2)c(Cl)c1Cl ZINC000826329871 607976769 /nfs/dbraw/zinc/97/67/69/607976769.db2.gz VPCJRGBDQIRGIV-UHFFFAOYSA-N -1 3 364.192 3.234 20 0 FGADHM Cc1c2c(nc(SCc3ncc(C4CC4)o3)c1-c1nnn[n-]1)CCC2 ZINC000826242930 608022532 /nfs/dbraw/zinc/02/25/32/608022532.db2.gz MMJQKXHVGMKJNG-UHFFFAOYSA-N -1 3 354.439 3.217 20 0 FGADHM Cc1c2c(nc(SCc3ncc(C4CC4)o3)c1-c1nn[n-]n1)CCC2 ZINC000826242930 608022533 /nfs/dbraw/zinc/02/25/33/608022533.db2.gz MMJQKXHVGMKJNG-UHFFFAOYSA-N -1 3 354.439 3.217 20 0 FGADHM Cn1c2ccc(NC(=O)Nc3cccc(-c4nnn[n-]4)c3)cc2nc1C1CC1 ZINC000826354895 608023120 /nfs/dbraw/zinc/02/31/20/608023120.db2.gz ADCBVRYJBTVAAY-UHFFFAOYSA-N -1 3 374.408 3.275 20 0 FGADHM Cn1c2ccc(NC(=O)Nc3cccc(-c4nn[n-]n4)c3)cc2nc1C1CC1 ZINC000826354895 608023121 /nfs/dbraw/zinc/02/31/21/608023121.db2.gz ADCBVRYJBTVAAY-UHFFFAOYSA-N -1 3 374.408 3.275 20 0 FGADHM O=C1[C@H](Sc2ccccc2-c2nnn[n-]2)CCCN1Cc1ccccc1 ZINC000826477424 608023925 /nfs/dbraw/zinc/02/39/25/608023925.db2.gz CPFZFJSHJPZUPF-QGZVFWFLSA-N -1 3 365.462 3.150 20 0 FGADHM O=C1[C@H](Sc2ccccc2-c2nn[n-]n2)CCCN1Cc1ccccc1 ZINC000826477424 608023926 /nfs/dbraw/zinc/02/39/26/608023926.db2.gz CPFZFJSHJPZUPF-QGZVFWFLSA-N -1 3 365.462 3.150 20 0 FGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)c1cccc(-c2ccoc2)c1 ZINC000826441530 608025806 /nfs/dbraw/zinc/02/58/06/608025806.db2.gz IMVMZDCZGTVIBZ-UHFFFAOYSA-N -1 3 363.352 3.196 20 0 FGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)c1cccc(-c2ccoc2)c1 ZINC000826441530 608025807 /nfs/dbraw/zinc/02/58/07/608025807.db2.gz IMVMZDCZGTVIBZ-UHFFFAOYSA-N -1 3 363.352 3.196 20 0 FGADHM CC(C)OC1CCN(c2ccc(-c3nn[n-]n3)cc2Br)CC1 ZINC000824309684 608049860 /nfs/dbraw/zinc/04/98/60/608049860.db2.gz VHTSONBSYXIEDA-UHFFFAOYSA-N -1 3 366.263 3.023 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cccc(OC)c1F ZINC000825331848 608072468 /nfs/dbraw/zinc/07/24/68/608072468.db2.gz AKLZTNNAEQBIMP-UHFFFAOYSA-N -1 3 370.388 3.089 20 0 FGADHM O=C(CCCC1CCCC1)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826406150 608082201 /nfs/dbraw/zinc/08/22/01/608082201.db2.gz KORQXNSMMGSMAQ-GOSISDBHSA-N -1 3 369.469 3.127 20 0 FGADHM O=C(CCCC1CCCC1)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826406150 608082202 /nfs/dbraw/zinc/08/22/02/608082202.db2.gz KORQXNSMMGSMAQ-GOSISDBHSA-N -1 3 369.469 3.127 20 0 FGADHM CCC[C@@H](C(=O)NCCSCc1ccccc1-c1nnn[n-]1)C(C)C ZINC000825224709 608111602 /nfs/dbraw/zinc/11/16/02/608111602.db2.gz BUCVWKZSDAQRCG-OAHLLOKOSA-N -1 3 361.515 3.288 20 0 FGADHM CCC[C@@H](C(=O)NCCSCc1ccccc1-c1nn[n-]n1)C(C)C ZINC000825224709 608111603 /nfs/dbraw/zinc/11/16/03/608111603.db2.gz BUCVWKZSDAQRCG-OAHLLOKOSA-N -1 3 361.515 3.288 20 0 FGADHM C[C@@H](NC(=O)[C@@H](C)c1c(F)cccc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000824471204 608114180 /nfs/dbraw/zinc/11/41/80/608114180.db2.gz PIFDOQVGWAKFIZ-WDEREUQCSA-N -1 3 357.364 3.126 20 0 FGADHM C[C@@H](NC(=O)[C@@H](C)c1c(F)cccc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000824471204 608114181 /nfs/dbraw/zinc/11/41/81/608114181.db2.gz PIFDOQVGWAKFIZ-WDEREUQCSA-N -1 3 357.364 3.126 20 0 FGADHM Cc1cc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCC3)cc(C)c1F ZINC000826260926 608123136 /nfs/dbraw/zinc/12/31/36/608123136.db2.gz KEHOYKBPPGNGEX-UHFFFAOYSA-N -1 3 357.414 3.425 20 0 FGADHM Cc1cc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)cc(C)c1F ZINC000826260926 608123137 /nfs/dbraw/zinc/12/31/37/608123137.db2.gz KEHOYKBPPGNGEX-UHFFFAOYSA-N -1 3 357.414 3.425 20 0 FGADHM O=C(Nc1ccccc1-c1nnn[n-]1)C1(Cc2ccc(Cl)cc2)CC1 ZINC000826457028 608149522 /nfs/dbraw/zinc/14/95/22/608149522.db2.gz JFLADNDZAIAUGN-UHFFFAOYSA-N -1 3 353.813 3.482 20 0 FGADHM O=C(Nc1ccccc1-c1nn[n-]n1)C1(Cc2ccc(Cl)cc2)CC1 ZINC000826457028 608149523 /nfs/dbraw/zinc/14/95/23/608149523.db2.gz JFLADNDZAIAUGN-UHFFFAOYSA-N -1 3 353.813 3.482 20 0 FGADHM CCC1(CO)CCN(c2c(-c3nnn[n-]3)cnc3c(C)cc(C)cc32)CC1 ZINC000825171468 608151303 /nfs/dbraw/zinc/15/13/03/608151303.db2.gz QLMQZYSRIUYFFJ-UHFFFAOYSA-N -1 3 366.469 3.021 20 0 FGADHM CCC1(CO)CCN(c2c(-c3nn[n-]n3)cnc3c(C)cc(C)cc32)CC1 ZINC000825171468 608151304 /nfs/dbraw/zinc/15/13/04/608151304.db2.gz QLMQZYSRIUYFFJ-UHFFFAOYSA-N -1 3 366.469 3.021 20 0 FGADHM Fc1ccc(Cl)c2c1ncc(-c1nnn[n-]1)c2N1CC[C@H](C2CC2)C1 ZINC000826374539 608152207 /nfs/dbraw/zinc/15/22/07/608152207.db2.gz CVYLQKIELOWTHM-JTQLQIEISA-N -1 3 358.808 3.444 20 0 FGADHM Fc1ccc(Cl)c2c1ncc(-c1nn[n-]n1)c2N1CC[C@H](C2CC2)C1 ZINC000826374539 608152209 /nfs/dbraw/zinc/15/22/09/608152209.db2.gz CVYLQKIELOWTHM-JTQLQIEISA-N -1 3 358.808 3.444 20 0 FGADHM C[C@@H](OC(=O)c1ncccc1C(F)(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000824727518 608159460 /nfs/dbraw/zinc/15/94/60/608159460.db2.gz AFTDSWQPRHNYQN-SECBINFHSA-N -1 3 363.299 3.199 20 0 FGADHM C[C@@H](OC(=O)c1ncccc1C(F)(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000824727518 608159462 /nfs/dbraw/zinc/15/94/62/608159462.db2.gz AFTDSWQPRHNYQN-SECBINFHSA-N -1 3 363.299 3.199 20 0 FGADHM C[C@@H](OC(=O)C1(c2cccc(F)c2)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000824716649 608182093 /nfs/dbraw/zinc/18/20/93/608182093.db2.gz ZSLXFNSGIPDHLN-GFCCVEGCSA-N -1 3 352.369 3.342 20 0 FGADHM C[C@@H](OC(=O)C1(c2cccc(F)c2)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000824716649 608182095 /nfs/dbraw/zinc/18/20/95/608182095.db2.gz ZSLXFNSGIPDHLN-GFCCVEGCSA-N -1 3 352.369 3.342 20 0 FGADHM CCc1c(C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cnn1CC(C)C ZINC000825688035 608182466 /nfs/dbraw/zinc/18/24/66/608182466.db2.gz QHNUMMVISJBYBU-ZDUSSCGKSA-N -1 3 368.441 3.200 20 0 FGADHM CCc1c(C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cnn1CC(C)C ZINC000825688035 608182468 /nfs/dbraw/zinc/18/24/68/608182468.db2.gz QHNUMMVISJBYBU-ZDUSSCGKSA-N -1 3 368.441 3.200 20 0 FGADHM CC(C)(C)[C@H](O)C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000824072397 608194543 /nfs/dbraw/zinc/19/45/43/608194543.db2.gz VGXJUKUFICEIKR-MRXNPFEDSA-N -1 3 367.409 3.005 20 0 FGADHM CC(C)(C)[C@H](O)C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000824072397 608194545 /nfs/dbraw/zinc/19/45/45/608194545.db2.gz VGXJUKUFICEIKR-MRXNPFEDSA-N -1 3 367.409 3.005 20 0 FGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cccn1C(C)C ZINC000824324537 608194678 /nfs/dbraw/zinc/19/46/78/608194678.db2.gz OUWPBXXVPJXSLP-UHFFFAOYSA-N -1 3 354.414 3.289 20 0 FGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cccn1C(C)C ZINC000824324537 608194679 /nfs/dbraw/zinc/19/46/79/608194679.db2.gz OUWPBXXVPJXSLP-UHFFFAOYSA-N -1 3 354.414 3.289 20 0 FGADHM C[C@H]1CCCC[C@H]1NC(=O)CSc1cccc(Cl)c1-c1nnn[n-]1 ZINC000824936487 608205580 /nfs/dbraw/zinc/20/55/80/608205580.db2.gz IABQXDBVMKSIRC-CMPLNLGQSA-N -1 3 365.890 3.307 20 0 FGADHM C[C@H]1CCCC[C@H]1NC(=O)CSc1cccc(Cl)c1-c1nn[n-]n1 ZINC000824936487 608205582 /nfs/dbraw/zinc/20/55/82/608205582.db2.gz IABQXDBVMKSIRC-CMPLNLGQSA-N -1 3 365.890 3.307 20 0 FGADHM C[C@@H](CC(=O)NCc1cccc(-c2nnn[n-]2)c1)Cc1ccc(Cl)cc1 ZINC000824385064 608219289 /nfs/dbraw/zinc/21/92/89/608219289.db2.gz KXDHPOGBKKSERD-CYBMUJFWSA-N -1 3 369.856 3.405 20 0 FGADHM C[C@@H](CC(=O)NCc1cccc(-c2nn[n-]n2)c1)Cc1ccc(Cl)cc1 ZINC000824385064 608219290 /nfs/dbraw/zinc/21/92/90/608219290.db2.gz KXDHPOGBKKSERD-CYBMUJFWSA-N -1 3 369.856 3.405 20 0 FGADHM COc1ccccc1CCN(C)c1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000826219869 608226669 /nfs/dbraw/zinc/22/66/69/608226669.db2.gz UFRXXYCHBDEYAJ-UHFFFAOYSA-N -1 3 360.421 3.102 20 0 FGADHM COc1ccccc1CCN(C)c1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000826219869 608226671 /nfs/dbraw/zinc/22/66/71/608226671.db2.gz UFRXXYCHBDEYAJ-UHFFFAOYSA-N -1 3 360.421 3.102 20 0 FGADHM C[C@H](C[C@@H](O)c1cccs1)Nc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000824392486 608234595 /nfs/dbraw/zinc/23/45/95/608234595.db2.gz OOYMOIVSUAFXMC-IAQYHMDHSA-N -1 3 366.450 3.401 20 0 FGADHM C[C@H](C[C@@H](O)c1cccs1)Nc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000824392486 608234597 /nfs/dbraw/zinc/23/45/97/608234597.db2.gz OOYMOIVSUAFXMC-IAQYHMDHSA-N -1 3 366.450 3.401 20 0 FGADHM CC(C)[C@@H]1C[C@H](Nc2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)CCO1 ZINC000824216352 608242769 /nfs/dbraw/zinc/24/27/69/608242769.db2.gz QBVZZYILIGEJPQ-WBMJQRKESA-N -1 3 372.860 3.106 20 0 FGADHM CC(C)[C@@H]1C[C@H](Nc2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)CCO1 ZINC000824216352 608242770 /nfs/dbraw/zinc/24/27/70/608242770.db2.gz QBVZZYILIGEJPQ-WBMJQRKESA-N -1 3 372.860 3.106 20 0 FGADHM CC(C)(CNC(=O)c1ncc(-c2nnn[n-]2)cc1Cl)C1CCCCC1 ZINC000824158567 608249936 /nfs/dbraw/zinc/24/99/36/608249936.db2.gz YIJSQXQXQHPNBP-UHFFFAOYSA-N -1 3 362.865 3.251 20 0 FGADHM CC(C)(CNC(=O)c1ncc(-c2nn[n-]n2)cc1Cl)C1CCCCC1 ZINC000824158567 608249938 /nfs/dbraw/zinc/24/99/38/608249938.db2.gz YIJSQXQXQHPNBP-UHFFFAOYSA-N -1 3 362.865 3.251 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1CSc1nc(C)nc2ccccc21 ZINC000826173720 608261007 /nfs/dbraw/zinc/26/10/07/608261007.db2.gz RFKRHVZGHVRNIV-UHFFFAOYSA-N -1 3 364.434 3.419 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1CSc1nc(C)nc2ccccc21 ZINC000826173720 608261008 /nfs/dbraw/zinc/26/10/08/608261008.db2.gz RFKRHVZGHVRNIV-UHFFFAOYSA-N -1 3 364.434 3.419 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)Nc1ccc(C2CC2)cc1 ZINC000826186043 608262099 /nfs/dbraw/zinc/26/20/99/608262099.db2.gz BLQBBZOVJRGACQ-UHFFFAOYSA-N -1 3 350.382 3.397 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)Nc1ccc(C2CC2)cc1 ZINC000826186043 608262101 /nfs/dbraw/zinc/26/21/01/608262101.db2.gz BLQBBZOVJRGACQ-UHFFFAOYSA-N -1 3 350.382 3.397 20 0 FGADHM CCc1cccnc1C(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@@H](C)C2 ZINC000825728747 608263576 /nfs/dbraw/zinc/26/35/76/608263576.db2.gz YHUXLMYSVQUPNG-SNVBAGLBSA-N -1 3 368.466 3.263 20 0 FGADHM CCc1cccnc1C(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@@H](C)C2 ZINC000825728747 608263577 /nfs/dbraw/zinc/26/35/77/608263577.db2.gz YHUXLMYSVQUPNG-SNVBAGLBSA-N -1 3 368.466 3.263 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)c(N(C)Cc2ccc(Br)s2)n1 ZINC000826274112 608270522 /nfs/dbraw/zinc/27/05/22/608270522.db2.gz HAPBPZKXAHEFFC-UHFFFAOYSA-N -1 3 365.260 3.031 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)c(N(C)Cc2ccc(Br)s2)n1 ZINC000826274112 608270523 /nfs/dbraw/zinc/27/05/23/608270523.db2.gz HAPBPZKXAHEFFC-UHFFFAOYSA-N -1 3 365.260 3.031 20 0 FGADHM Cc1ccc(F)c(C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)c1F ZINC000826289006 608271614 /nfs/dbraw/zinc/27/16/14/608271614.db2.gz GQRVDAGRQADVCX-UHFFFAOYSA-N -1 3 360.368 3.262 20 0 FGADHM Cc1ccc(F)c(C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)c1F ZINC000826289006 608271615 /nfs/dbraw/zinc/27/16/15/608271615.db2.gz GQRVDAGRQADVCX-UHFFFAOYSA-N -1 3 360.368 3.262 20 0 FGADHM C[C@H](OC(=O)C=Cc1ccc(Cl)nc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824713728 608273989 /nfs/dbraw/zinc/27/39/89/608273989.db2.gz KHSMGLSDONHWOF-IOCXFXADSA-N -1 3 355.785 3.233 20 0 FGADHM C[C@H](OC(=O)C=Cc1ccc(Cl)nc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824713728 608273991 /nfs/dbraw/zinc/27/39/91/608273991.db2.gz KHSMGLSDONHWOF-IOCXFXADSA-N -1 3 355.785 3.233 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)c(NCc2cccc(COC(C)(C)C)c2)n1 ZINC000826277417 608282375 /nfs/dbraw/zinc/28/23/75/608282375.db2.gz UEAYXVOJEPKGSX-UHFFFAOYSA-N -1 3 352.442 3.497 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)c(NCc2cccc(COC(C)(C)C)c2)n1 ZINC000826277417 608282376 /nfs/dbraw/zinc/28/23/76/608282376.db2.gz UEAYXVOJEPKGSX-UHFFFAOYSA-N -1 3 352.442 3.497 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)c(N(C)CCc2ccc(Br)cc2)n1 ZINC000826274164 608284944 /nfs/dbraw/zinc/28/49/44/608284944.db2.gz ISWGWDQBKGCJLY-UHFFFAOYSA-N -1 3 373.258 3.012 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)c(N(C)CCc2ccc(Br)cc2)n1 ZINC000826274164 608284945 /nfs/dbraw/zinc/28/49/45/608284945.db2.gz ISWGWDQBKGCJLY-UHFFFAOYSA-N -1 3 373.258 3.012 20 0 FGADHM CCCCNC(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000825291405 608291080 /nfs/dbraw/zinc/29/10/80/608291080.db2.gz QTBNSPBQLFDQCN-UHFFFAOYSA-N -1 3 350.426 3.133 20 0 FGADHM CCCCNC(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000825291405 608291082 /nfs/dbraw/zinc/29/10/82/608291082.db2.gz QTBNSPBQLFDQCN-UHFFFAOYSA-N -1 3 350.426 3.133 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)c(NCc2nccn2CCCc2ccccc2)n1 ZINC000826277010 608295727 /nfs/dbraw/zinc/29/57/27/608295727.db2.gz FXOYROXFHAHJHT-UHFFFAOYSA-N -1 3 374.452 3.012 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)c(NCc2nccn2CCCc2ccccc2)n1 ZINC000826277010 608295729 /nfs/dbraw/zinc/29/57/29/608295729.db2.gz FXOYROXFHAHJHT-UHFFFAOYSA-N -1 3 374.452 3.012 20 0 FGADHM COc1ccc(CNc2nc3c(cc2-c2nnn[n-]2)CCCC3)cc1Cl ZINC000826204321 608298304 /nfs/dbraw/zinc/29/83/04/608298304.db2.gz GTIPDPQKWIBGRA-UHFFFAOYSA-N -1 3 370.844 3.415 20 0 FGADHM COc1ccc(CNc2nc3c(cc2-c2nn[n-]n2)CCCC3)cc1Cl ZINC000826204321 608298307 /nfs/dbraw/zinc/29/83/07/608298307.db2.gz GTIPDPQKWIBGRA-UHFFFAOYSA-N -1 3 370.844 3.415 20 0 FGADHM CCN(C(=O)C=Cc1ccc2[nH]ccc2c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367171 608308993 /nfs/dbraw/zinc/30/89/93/608308993.db2.gz KGVTZMRBOBYZHW-ONNFQVAWSA-N -1 3 358.405 3.414 20 0 FGADHM CCN(C(=O)C=Cc1ccc2[nH]ccc2c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367171 608308995 /nfs/dbraw/zinc/30/89/95/608308995.db2.gz KGVTZMRBOBYZHW-ONNFQVAWSA-N -1 3 358.405 3.414 20 0 FGADHM Cc1nc(Cl)ccc1CC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000826326774 608311625 /nfs/dbraw/zinc/31/16/25/608311625.db2.gz DAQVZQSSHPLFPY-UHFFFAOYSA-N -1 3 363.208 3.058 20 0 FGADHM Cc1nc(Cl)ccc1CC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000826326774 608311626 /nfs/dbraw/zinc/31/16/26/608311626.db2.gz DAQVZQSSHPLFPY-UHFFFAOYSA-N -1 3 363.208 3.058 20 0 FGADHM Cc1nn(-c2ccccc2)c(CN2C3CCCC2CCC3)c1-c1nnn[n-]1 ZINC000826332248 608314575 /nfs/dbraw/zinc/31/45/75/608314575.db2.gz OHTPNWYPHFJFOA-UHFFFAOYSA-N -1 3 363.469 3.268 20 0 FGADHM Cc1nn(-c2ccccc2)c(CN2C3CCCC2CCC3)c1-c1nn[n-]n1 ZINC000826332248 608314577 /nfs/dbraw/zinc/31/45/77/608314577.db2.gz OHTPNWYPHFJFOA-UHFFFAOYSA-N -1 3 363.469 3.268 20 0 FGADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)Nc1ccc(-c2ncco2)cc1 ZINC000826408799 608315956 /nfs/dbraw/zinc/31/59/56/608315956.db2.gz VOYAGRCSKVIZJE-UHFFFAOYSA-N -1 3 360.377 3.093 20 0 FGADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)Nc1ccc(-c2ncco2)cc1 ZINC000826408799 608315957 /nfs/dbraw/zinc/31/59/57/608315957.db2.gz VOYAGRCSKVIZJE-UHFFFAOYSA-N -1 3 360.377 3.093 20 0 FGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1)c1cccc([C@@H]2CCCOC2)c1 ZINC000826466021 608318782 /nfs/dbraw/zinc/31/87/82/608318782.db2.gz MIDCRHICUQLRJQ-GOSISDBHSA-N -1 3 364.405 3.118 20 0 FGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1)c1cccc([C@@H]2CCCOC2)c1 ZINC000826466021 608318784 /nfs/dbraw/zinc/31/87/84/608318784.db2.gz MIDCRHICUQLRJQ-GOSISDBHSA-N -1 3 364.405 3.118 20 0 FGADHM Cc1cc(C(=O)NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)c(C)[nH]1 ZINC000826259809 608328312 /nfs/dbraw/zinc/32/83/12/608328312.db2.gz HMIZRCVFZFAYAZ-UHFFFAOYSA-N -1 3 372.432 3.409 20 0 FGADHM Cc1cc(C(=O)NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)c(C)[nH]1 ZINC000826259809 608328313 /nfs/dbraw/zinc/32/83/13/608328313.db2.gz HMIZRCVFZFAYAZ-UHFFFAOYSA-N -1 3 372.432 3.409 20 0 FGADHM COc1c(C)cc(C(=O)Nc2sc(C)c(C)c2-c2nnn[n-]2)cc1C ZINC000826166973 608339250 /nfs/dbraw/zinc/33/92/50/608339250.db2.gz JTXKJNHAIUDWTP-UHFFFAOYSA-N -1 3 357.439 3.423 20 0 FGADHM COc1c(C)cc(C(=O)Nc2sc(C)c(C)c2-c2nn[n-]n2)cc1C ZINC000826166973 608339252 /nfs/dbraw/zinc/33/92/52/608339252.db2.gz JTXKJNHAIUDWTP-UHFFFAOYSA-N -1 3 357.439 3.423 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)CCc1ccccc1Cl ZINC000826171771 608345411 /nfs/dbraw/zinc/34/54/11/608345411.db2.gz XNFHTQBYAAMLNN-UHFFFAOYSA-N -1 3 372.812 3.205 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)CCc1ccccc1Cl ZINC000826171771 608345414 /nfs/dbraw/zinc/34/54/14/608345414.db2.gz XNFHTQBYAAMLNN-UHFFFAOYSA-N -1 3 372.812 3.205 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)c1sc(C(C)C)nc1C ZINC000826173180 608348604 /nfs/dbraw/zinc/34/86/04/608348604.db2.gz QUFVJWRFULHWJJ-UHFFFAOYSA-N -1 3 373.438 3.121 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)c1sc(C(C)C)nc1C ZINC000826173180 608348605 /nfs/dbraw/zinc/34/86/05/608348605.db2.gz QUFVJWRFULHWJJ-UHFFFAOYSA-N -1 3 373.438 3.121 20 0 FGADHM CC(C)N(C)C(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000824284343 608356355 /nfs/dbraw/zinc/35/63/55/608356355.db2.gz FTTYRYGGWHDAAO-UHFFFAOYSA-N -1 3 350.426 3.084 20 0 FGADHM CC(C)N(C)C(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000824284343 608356356 /nfs/dbraw/zinc/35/63/56/608356356.db2.gz FTTYRYGGWHDAAO-UHFFFAOYSA-N -1 3 350.426 3.084 20 0 FGADHM Fc1ccc(-c2nnn[n-]2)cc1CN(Cc1ccco1)Cc1cccnc1 ZINC000826373602 608383256 /nfs/dbraw/zinc/38/32/56/608383256.db2.gz SIJLEAUIXVEAND-UHFFFAOYSA-N -1 3 364.384 3.196 20 0 FGADHM Fc1ccc(-c2nn[n-]n2)cc1CN(Cc1ccco1)Cc1cccnc1 ZINC000826373602 608383258 /nfs/dbraw/zinc/38/32/58/608383258.db2.gz SIJLEAUIXVEAND-UHFFFAOYSA-N -1 3 364.384 3.196 20 0 FGADHM CN(CCOc1ccccc1Cl)Cc1cccc(-c2nnn[n-]2)c1F ZINC000825945959 608383990 /nfs/dbraw/zinc/38/39/90/608383990.db2.gz CIHIKOBMVGCOBS-UHFFFAOYSA-N -1 3 361.808 3.170 20 0 FGADHM C[C@H](NC(=O)c1cc(F)cc2cccnc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000824514607 608413494 /nfs/dbraw/zinc/41/34/94/608413494.db2.gz PCTUZYKHZWBCHV-NSHDSACASA-N -1 3 362.368 3.045 20 0 FGADHM C[C@H](NC(=O)c1cc(F)cc2cccnc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000824514607 608413496 /nfs/dbraw/zinc/41/34/96/608413496.db2.gz PCTUZYKHZWBCHV-NSHDSACASA-N -1 3 362.368 3.045 20 0 FGADHM COc1ccc(CNc2cnn(CC(C)C)c2C(C)C)cc1-c1nnn[n-]1 ZINC000826204618 608428187 /nfs/dbraw/zinc/42/81/87/608428187.db2.gz SCZLWEAIHGUZNN-UHFFFAOYSA-N -1 3 369.473 3.463 20 0 FGADHM COc1ccc(CNc2cnn(CC(C)C)c2C(C)C)cc1-c1nn[n-]n1 ZINC000826204618 608428189 /nfs/dbraw/zinc/42/81/89/608428189.db2.gz SCZLWEAIHGUZNN-UHFFFAOYSA-N -1 3 369.473 3.463 20 0 FGADHM Fc1ccc2ncnc(N3CC=C(c4ccc(-c5nnn[n-]5)cc4)CC3)c2c1 ZINC000826376210 608442510 /nfs/dbraw/zinc/44/25/10/608442510.db2.gz SWHWRDJQGAANIN-UHFFFAOYSA-N -1 3 373.395 3.243 20 0 FGADHM Fc1ccc2ncnc(N3CC=C(c4ccc(-c5nn[n-]n5)cc4)CC3)c2c1 ZINC000826376210 608442512 /nfs/dbraw/zinc/44/25/12/608442512.db2.gz SWHWRDJQGAANIN-UHFFFAOYSA-N -1 3 373.395 3.243 20 0 FGADHM O=C(CCCOCc1ccccc1)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826405963 608446822 /nfs/dbraw/zinc/44/68/22/608446822.db2.gz BAKLIJKUKVMGEU-UHFFFAOYSA-N -1 3 370.384 3.046 20 0 FGADHM O=C(CCCOCc1ccccc1)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826405963 608446823 /nfs/dbraw/zinc/44/68/23/608446823.db2.gz BAKLIJKUKVMGEU-UHFFFAOYSA-N -1 3 370.384 3.046 20 0 FGADHM Cc1ccc2cc(C(=O)OCc3cccc(-c4nnn[n-]4)c3F)ccc2n1 ZINC000826294794 608453585 /nfs/dbraw/zinc/45/35/85/608453585.db2.gz CSLGLUNRWFOTRN-UHFFFAOYSA-N -1 3 363.352 3.219 20 0 FGADHM Cc1ccc2cc(C(=O)OCc3cccc(-c4nn[n-]n4)c3F)ccc2n1 ZINC000826294794 608453586 /nfs/dbraw/zinc/45/35/86/608453586.db2.gz CSLGLUNRWFOTRN-UHFFFAOYSA-N -1 3 363.352 3.219 20 0 FGADHM C[C@@H](C(=O)OCc1cccc(-c2nnn[n-]2)c1F)c1c(F)cccc1F ZINC000824052919 608454498 /nfs/dbraw/zinc/45/44/98/608454498.db2.gz SNZXZVZWPSSPIE-SECBINFHSA-N -1 3 362.311 3.131 20 0 FGADHM C[C@@H](C(=O)OCc1cccc(-c2nn[n-]n2)c1F)c1c(F)cccc1F ZINC000824052919 608454499 /nfs/dbraw/zinc/45/44/99/608454499.db2.gz SNZXZVZWPSSPIE-SECBINFHSA-N -1 3 362.311 3.131 20 0 FGADHM CC[C@H](OC(=O)c1ccc(-c2nnn[n-]2)cn1)c1ccc(Cl)cc1F ZINC000825153871 608456093 /nfs/dbraw/zinc/45/60/93/608456093.db2.gz KUBIIUOMGPWFOQ-AWEZNQCLSA-N -1 3 361.764 3.362 20 0 FGADHM CC[C@H](OC(=O)c1ccc(-c2nn[n-]n2)cn1)c1ccc(Cl)cc1F ZINC000825153871 608456095 /nfs/dbraw/zinc/45/60/95/608456095.db2.gz KUBIIUOMGPWFOQ-AWEZNQCLSA-N -1 3 361.764 3.362 20 0 FGADHM Cc1cccc(CC(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000826297995 608478492 /nfs/dbraw/zinc/47/84/92/608478492.db2.gz YVRKUYHBOPQZAK-UHFFFAOYSA-N -1 3 359.433 3.034 20 0 FGADHM Cc1cccc(CC(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000826297995 608478494 /nfs/dbraw/zinc/47/84/94/608478494.db2.gz YVRKUYHBOPQZAK-UHFFFAOYSA-N -1 3 359.433 3.034 20 0 FGADHM O=C(c1cccc2[nH]ccc21)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826474258 608484479 /nfs/dbraw/zinc/48/44/79/608484479.db2.gz IKSJMNIARXLRCM-UHFFFAOYSA-N -1 3 370.416 3.278 20 0 FGADHM O=C(c1cccc2[nH]ccc21)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826474258 608484480 /nfs/dbraw/zinc/48/44/80/608484480.db2.gz IKSJMNIARXLRCM-UHFFFAOYSA-N -1 3 370.416 3.278 20 0 FGADHM CCc1oc(C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)cc1C ZINC000825775989 608486915 /nfs/dbraw/zinc/48/69/15/608486915.db2.gz BYCSSJPRLVROBM-UHFFFAOYSA-N -1 3 363.421 3.260 20 0 FGADHM CCc1oc(C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)cc1C ZINC000825775989 608486916 /nfs/dbraw/zinc/48/69/16/608486916.db2.gz BYCSSJPRLVROBM-UHFFFAOYSA-N -1 3 363.421 3.260 20 0 FGADHM C[C@H](NCc1c(F)c(F)c(F)c(F)c1F)c1cccc(-c2nnn[n-]2)c1 ZINC000824605268 608487581 /nfs/dbraw/zinc/48/75/81/608487581.db2.gz HCJYJRMPGNHZEB-ZETCQYMHSA-N -1 3 369.297 3.413 20 0 FGADHM C[C@H](NCc1c(F)c(F)c(F)c(F)c1F)c1cccc(-c2nn[n-]n2)c1 ZINC000824605268 608487582 /nfs/dbraw/zinc/48/75/82/608487582.db2.gz HCJYJRMPGNHZEB-ZETCQYMHSA-N -1 3 369.297 3.413 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)ccc1OCc1cccc(OC(C)(C)C)n1 ZINC000825609271 608528021 /nfs/dbraw/zinc/52/80/21/608528021.db2.gz JBRBQDQFYVVBOP-UHFFFAOYSA-N -1 3 369.425 3.417 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)ccc1OCc1cccc(OC(C)(C)C)n1 ZINC000825609271 608528022 /nfs/dbraw/zinc/52/80/22/608528022.db2.gz JBRBQDQFYVVBOP-UHFFFAOYSA-N -1 3 369.425 3.417 20 0 FGADHM S=C(Nc1ccc2c(c1)COC2)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826512305 608528761 /nfs/dbraw/zinc/52/87/61/608528761.db2.gz VZASIWARXTZXPF-UHFFFAOYSA-N -1 3 372.841 3.359 20 0 FGADHM S=C(Nc1ccc2c(c1)COC2)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826512305 608528763 /nfs/dbraw/zinc/52/87/63/608528763.db2.gz VZASIWARXTZXPF-UHFFFAOYSA-N -1 3 372.841 3.359 20 0 FGADHM CCCOc1ccc(N[C@H](C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825341815 608529542 /nfs/dbraw/zinc/52/95/42/608529542.db2.gz KVAOQUKPKSWREC-CYBMUJFWSA-N -1 3 366.425 3.095 20 0 FGADHM CCCOc1ccc(N[C@H](C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825341815 608529543 /nfs/dbraw/zinc/52/95/43/608529543.db2.gz KVAOQUKPKSWREC-CYBMUJFWSA-N -1 3 366.425 3.095 20 0 FGADHM c1csc(-c2cnc(CNC3(c4cccc(-c5nnn[n-]5)c4)CC3)o2)c1 ZINC000826513175 608533333 /nfs/dbraw/zinc/53/33/33/608533333.db2.gz CJYNJWZHFQHFQT-UHFFFAOYSA-N -1 3 364.434 3.362 20 0 FGADHM c1csc(-c2cnc(CNC3(c4cccc(-c5nn[n-]n5)c4)CC3)o2)c1 ZINC000826513175 608533334 /nfs/dbraw/zinc/53/33/34/608533334.db2.gz CJYNJWZHFQHFQT-UHFFFAOYSA-N -1 3 364.434 3.362 20 0 FGADHM CC(C)(C)OC(=O)c1ccccc1NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000824113825 608546961 /nfs/dbraw/zinc/54/69/61/608546961.db2.gz FETWJNNTKRESTI-UHFFFAOYSA-N -1 3 371.422 3.136 20 0 FGADHM CC(C)(C)OC(=O)c1ccccc1NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000824113825 608546963 /nfs/dbraw/zinc/54/69/63/608546963.db2.gz FETWJNNTKRESTI-UHFFFAOYSA-N -1 3 371.422 3.136 20 0 FGADHM c1ccc2c(c1)nc(N1CCC(c3cccnc3)CC1)cc2-c1nnn[n-]1 ZINC000826525774 608554114 /nfs/dbraw/zinc/55/41/14/608554114.db2.gz YNJKYSZLCCHRGT-UHFFFAOYSA-N -1 3 357.421 3.194 20 0 FGADHM c1ccc2c(c1)nc(N1CCC(c3cccnc3)CC1)cc2-c1nn[n-]n1 ZINC000826525774 608554115 /nfs/dbraw/zinc/55/41/15/608554115.db2.gz YNJKYSZLCCHRGT-UHFFFAOYSA-N -1 3 357.421 3.194 20 0 FGADHM C[C@@H](c1ccc(F)cc1)N(C)C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000824763688 608573084 /nfs/dbraw/zinc/57/30/84/608573084.db2.gz OLROAHNJFIMTOW-JTQLQIEISA-N -1 3 359.792 3.492 20 0 FGADHM C[C@@H](c1ccc(F)cc1)N(C)C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000824763688 608573085 /nfs/dbraw/zinc/57/30/85/608573085.db2.gz OLROAHNJFIMTOW-JTQLQIEISA-N -1 3 359.792 3.492 20 0 FGADHM COc1ccc(NC(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)cc1Cl ZINC000826209788 608573498 /nfs/dbraw/zinc/57/34/98/608573498.db2.gz QJXNEYYPOVGQEZ-UHFFFAOYSA-N -1 3 364.192 3.434 20 0 FGADHM COc1ccc(NC(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)cc1Cl ZINC000826209788 608573500 /nfs/dbraw/zinc/57/35/00/608573500.db2.gz QJXNEYYPOVGQEZ-UHFFFAOYSA-N -1 3 364.192 3.434 20 0 FGADHM CN(C(=O)[C@@H]1CCc2c1cccc2Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000825811968 608582477 /nfs/dbraw/zinc/58/24/77/608582477.db2.gz DQWSJNCIUFBLRW-OAHLLOKOSA-N -1 3 353.813 3.213 20 0 FGADHM CN(C(=O)[C@@H]1CCc2c1cccc2Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000825811968 608582478 /nfs/dbraw/zinc/58/24/78/608582478.db2.gz DQWSJNCIUFBLRW-OAHLLOKOSA-N -1 3 353.813 3.213 20 0 FGADHM CCOc1cccc([C@H]2C[C@@H]2Nc2ncc(-c3nnn[n-]3)cc2Cl)c1 ZINC000825649497 608588788 /nfs/dbraw/zinc/58/87/88/608588788.db2.gz QSONCLUAUOKVIC-HIFRSBDPSA-N -1 3 356.817 3.282 20 0 FGADHM CCOc1cccc([C@H]2C[C@@H]2Nc2ncc(-c3nn[n-]n3)cc2Cl)c1 ZINC000825649497 608588790 /nfs/dbraw/zinc/58/87/90/608588790.db2.gz QSONCLUAUOKVIC-HIFRSBDPSA-N -1 3 356.817 3.282 20 0 FGADHM CC(C)(CNC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccncc1 ZINC000824158397 608593803 /nfs/dbraw/zinc/59/38/03/608593803.db2.gz VSIJWJLKIBLYLE-UHFFFAOYSA-N -1 3 371.832 3.014 20 0 FGADHM CC(C)(CNC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccncc1 ZINC000824158397 608593806 /nfs/dbraw/zinc/59/38/06/608593806.db2.gz VSIJWJLKIBLYLE-UHFFFAOYSA-N -1 3 371.832 3.014 20 0 FGADHM CC(C)[C@H](OC(=O)c1ccc(-c2nnn[n-]2)cn1)c1ccc(F)c(F)c1 ZINC000824206920 608596116 /nfs/dbraw/zinc/59/61/16/608596116.db2.gz LWIGRQGJRZRXON-HNNXBMFYSA-N -1 3 359.336 3.094 20 0 FGADHM CC(C)[C@H](OC(=O)c1ccc(-c2nn[n-]n2)cn1)c1ccc(F)c(F)c1 ZINC000824206920 608596118 /nfs/dbraw/zinc/59/61/18/608596118.db2.gz LWIGRQGJRZRXON-HNNXBMFYSA-N -1 3 359.336 3.094 20 0 FGADHM C[C@@H]1CC[C@H](C)CN1C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000824907783 608600163 /nfs/dbraw/zinc/60/01/63/608600163.db2.gz KORSLQQKVJTVCP-VHSXEESVSA-N -1 3 366.372 3.120 20 0 FGADHM C[C@@H]1CC[C@H](C)CN1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000824907783 608600167 /nfs/dbraw/zinc/60/01/67/608600167.db2.gz KORSLQQKVJTVCP-VHSXEESVSA-N -1 3 366.372 3.120 20 0 FGADHM CC1(C)CC[C@@H](NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)C1 ZINC000824801375 608622467 /nfs/dbraw/zinc/62/24/67/608622467.db2.gz DXTJMKMNQIOHQF-OAHLLOKOSA-N -1 3 354.458 3.119 20 0 FGADHM CC1(C)CC[C@@H](NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)C1 ZINC000824801375 608622468 /nfs/dbraw/zinc/62/24/68/608622468.db2.gz DXTJMKMNQIOHQF-OAHLLOKOSA-N -1 3 354.458 3.119 20 0 FGADHM Fc1c(CN(Cc2ccccc2)C[C@@H]2CCCO2)cccc1-c1nnn[n-]1 ZINC000826370100 608648087 /nfs/dbraw/zinc/64/80/87/608648087.db2.gz DPKDQKVTIGFZOH-KRWDZBQOSA-N -1 3 367.428 3.187 20 0 FGADHM CCc1ccc(N[C@@H](C(=O)OC)c2cccc(-c3nnn[n-]3)c2)cc1C ZINC000825717417 608753498 /nfs/dbraw/zinc/75/34/98/608753498.db2.gz KARLBDDETORDJM-QGZVFWFLSA-N -1 3 351.410 3.064 20 0 FGADHM CCc1ccc(N[C@@H](C(=O)OC)c2cccc(-c3nn[n-]n3)c2)cc1C ZINC000825717417 608753502 /nfs/dbraw/zinc/75/35/02/608753502.db2.gz KARLBDDETORDJM-QGZVFWFLSA-N -1 3 351.410 3.064 20 0 FGADHM c1coc(COCc2cccc(CNc3cnccc3-c3nnn[n-]3)c2)c1 ZINC000826516327 608773411 /nfs/dbraw/zinc/77/34/11/608773411.db2.gz HFEQYWJNVVFVMW-UHFFFAOYSA-N -1 3 362.393 3.184 20 0 FGADHM c1coc(COCc2cccc(CNc3cnccc3-c3nn[n-]n3)c2)c1 ZINC000826516327 608773412 /nfs/dbraw/zinc/77/34/12/608773412.db2.gz HFEQYWJNVVFVMW-UHFFFAOYSA-N -1 3 362.393 3.184 20 0 FGADHM O=C(Nc1cccc(CNc2cnccc2-c2nnn[n-]2)c1)c1ccccc1 ZINC000826456787 608775619 /nfs/dbraw/zinc/77/56/19/608775619.db2.gz XJHPONHVDLBWOF-UHFFFAOYSA-N -1 3 371.404 3.126 20 0 FGADHM O=C(Nc1cccc(CNc2cnccc2-c2nn[n-]n2)c1)c1ccccc1 ZINC000826456787 608775622 /nfs/dbraw/zinc/77/56/22/608775622.db2.gz XJHPONHVDLBWOF-UHFFFAOYSA-N -1 3 371.404 3.126 20 0 FGADHM Cc1[nH]c2ccccc2c1C1CCN(c2cnccc2-c2nnn[n-]2)CC1 ZINC000826233344 608777501 /nfs/dbraw/zinc/77/75/01/608777501.db2.gz CWMWQHOOVQOAKC-UHFFFAOYSA-N -1 3 359.437 3.435 20 0 FGADHM Cc1[nH]c2ccccc2c1C1CCN(c2cnccc2-c2nn[n-]n2)CC1 ZINC000826233344 608777504 /nfs/dbraw/zinc/77/75/04/608777504.db2.gz CWMWQHOOVQOAKC-UHFFFAOYSA-N -1 3 359.437 3.435 20 0 FGADHM Cc1cc(N2CCCC2)ccc1NCc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000826269166 608861486 /nfs/dbraw/zinc/86/14/86/608861486.db2.gz CDKXTUXZEWNCAM-UHFFFAOYSA-N -1 3 374.452 3.035 20 0 FGADHM Cc1cc(N2CCCC2)ccc1NCc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000826269166 608861488 /nfs/dbraw/zinc/86/14/88/608861488.db2.gz CDKXTUXZEWNCAM-UHFFFAOYSA-N -1 3 374.452 3.035 20 0 FGADHM C[C@@H](NCc1ccn(-c2ccccc2)n1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824625356 609138686 /nfs/dbraw/zinc/13/86/86/609138686.db2.gz GHMXFMIXKUIZBT-CYBMUJFWSA-N -1 3 363.400 3.042 20 0 FGADHM C[C@@H](NCc1ccn(-c2ccccc2)n1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824625356 609138687 /nfs/dbraw/zinc/13/86/87/609138687.db2.gz GHMXFMIXKUIZBT-CYBMUJFWSA-N -1 3 363.400 3.042 20 0 FGADHM CC(C)C[C@@H]1C[C@H](Nc2nc3ccccc3cc2-c2nnn[n-]2)CCO1 ZINC000824244440 609171095 /nfs/dbraw/zinc/17/10/95/609171095.db2.gz RIEFCPFHVONHHJ-HUUCEWRRSA-N -1 3 352.442 3.421 20 0 FGADHM CC(C)C[C@@H]1C[C@H](Nc2nc3ccccc3cc2-c2nn[n-]n2)CCO1 ZINC000824244440 609171097 /nfs/dbraw/zinc/17/10/97/609171097.db2.gz RIEFCPFHVONHHJ-HUUCEWRRSA-N -1 3 352.442 3.421 20 0 FGADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N[C@H]1CCO[C@@H](CC(C)C)C1 ZINC000826304749 609172479 /nfs/dbraw/zinc/17/24/79/609172479.db2.gz WREMYMADTZSRCN-GJZGRUSLSA-N -1 3 366.469 3.151 20 0 FGADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N[C@H]1CCO[C@@H](CC(C)C)C1 ZINC000826304749 609172481 /nfs/dbraw/zinc/17/24/81/609172481.db2.gz WREMYMADTZSRCN-GJZGRUSLSA-N -1 3 366.469 3.151 20 0 FGADHM COCCOc1ccc(N[C@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)cc1 ZINC000826162682 609176090 /nfs/dbraw/zinc/17/60/90/609176090.db2.gz NTJFIVCCHLPBQA-GFCCVEGCSA-N -1 3 357.389 3.204 20 0 FGADHM COCCOc1ccc(N[C@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)cc1 ZINC000826162682 609176091 /nfs/dbraw/zinc/17/60/91/609176091.db2.gz NTJFIVCCHLPBQA-GFCCVEGCSA-N -1 3 357.389 3.204 20 0 FGADHM CCNc1ccc(-c2nn[n-]n2)cc1NCCCc1cccc(OC)c1 ZINC000825480713 609177754 /nfs/dbraw/zinc/17/77/54/609177754.db2.gz HMYYARNAOPCBET-UHFFFAOYSA-N -1 3 352.442 3.352 20 0 FGADHM O=C(N[C@@H](c1ccccc1)C1CCCCC1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826427356 609197301 /nfs/dbraw/zinc/19/73/01/609197301.db2.gz NHQSSBSWJBPXSN-KRWDZBQOSA-N -1 3 350.426 3.246 20 0 FGADHM O=C(N[C@@H](c1ccccc1)C1CCCCC1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826427356 609197302 /nfs/dbraw/zinc/19/73/02/609197302.db2.gz NHQSSBSWJBPXSN-KRWDZBQOSA-N -1 3 350.426 3.246 20 0 FGADHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N1CCC[C@H]1c1cccc2ccccc21 ZINC000826469728 609201436 /nfs/dbraw/zinc/20/14/36/609201436.db2.gz PDVWXEYCCJJGBZ-SFHVURJKSA-N -1 3 358.405 3.325 20 0 FGADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1CCC[C@H]1c1cccc2ccccc21 ZINC000826469728 609201438 /nfs/dbraw/zinc/20/14/38/609201438.db2.gz PDVWXEYCCJJGBZ-SFHVURJKSA-N -1 3 358.405 3.325 20 0 FGADHM CC(C)Sc1ccc([C@@H](C)NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)cc1 ZINC000824337936 609208096 /nfs/dbraw/zinc/20/80/96/609208096.db2.gz KPOHPIBSKAGSKX-LLVKDONJSA-N -1 3 356.455 3.186 20 0 FGADHM CC(C)Sc1ccc([C@@H](C)NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)cc1 ZINC000824337936 609208097 /nfs/dbraw/zinc/20/80/97/609208097.db2.gz KPOHPIBSKAGSKX-LLVKDONJSA-N -1 3 356.455 3.186 20 0 FGADHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N(Cc1c(F)cccc1F)C1CCCC1 ZINC000826469033 609217717 /nfs/dbraw/zinc/21/77/17/609217717.db2.gz RMYGMSNYBNCDPL-UHFFFAOYSA-N -1 3 372.379 3.058 20 0 FGADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N(Cc1c(F)cccc1F)C1CCCC1 ZINC000826469033 609217719 /nfs/dbraw/zinc/21/77/19/609217719.db2.gz RMYGMSNYBNCDPL-UHFFFAOYSA-N -1 3 372.379 3.058 20 0 FGADHM CC(C)(C)c1ccc(C(C)(C)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)cc1 ZINC000824136246 609229126 /nfs/dbraw/zinc/22/91/26/609229126.db2.gz NZJUSLNHMWPSJN-UHFFFAOYSA-N -1 3 366.469 3.200 20 0 FGADHM CC(C)(C)c1ccc(C(C)(C)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)cc1 ZINC000824136246 609229128 /nfs/dbraw/zinc/22/91/28/609229128.db2.gz NZJUSLNHMWPSJN-UHFFFAOYSA-N -1 3 366.469 3.200 20 0 FGADHM CCC[C@H](C)[C@@H](CC)Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1 ZINC000825232182 609240566 /nfs/dbraw/zinc/24/05/66/609240566.db2.gz DKLXFUXYJTZZLL-KBXCAEBGSA-N -1 3 372.517 3.455 20 0 FGADHM CCC[C@H](C)[C@@H](CC)Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1 ZINC000825232182 609240568 /nfs/dbraw/zinc/24/05/68/609240568.db2.gz DKLXFUXYJTZZLL-KBXCAEBGSA-N -1 3 372.517 3.455 20 0 FGADHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)OCc1ccc(CF)cc1 ZINC000824178567 609241837 /nfs/dbraw/zinc/24/18/37/609241837.db2.gz XWTXRNGRBUVWSE-UHFFFAOYSA-N -1 3 370.384 3.237 20 0 FGADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OCc1ccc(CF)cc1 ZINC000824178567 609241839 /nfs/dbraw/zinc/24/18/39/609241839.db2.gz XWTXRNGRBUVWSE-UHFFFAOYSA-N -1 3 370.384 3.237 20 0 FGADHM CSc1ccccc1CC(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000826230845 609244179 /nfs/dbraw/zinc/24/41/79/609244179.db2.gz LWUJOHKSHJZFTP-UHFFFAOYSA-N -1 3 358.398 3.014 20 0 FGADHM CSc1ccccc1CC(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000826230845 609244181 /nfs/dbraw/zinc/24/41/81/609244181.db2.gz LWUJOHKSHJZFTP-UHFFFAOYSA-N -1 3 358.398 3.014 20 0 FGADHM Cc1cc(NCc2ccc(-c3nnn[n-]3)s2)ncc1Br ZINC000826271571 609266541 /nfs/dbraw/zinc/26/65/41/609266541.db2.gz XJUJKRJLFVRUEA-UHFFFAOYSA-N -1 3 351.233 3.006 20 0 FGADHM Fc1ccc(CNc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)cc1F ZINC000826374779 609279610 /nfs/dbraw/zinc/27/96/10/609279610.db2.gz MFVPYAVRJFRWKB-UHFFFAOYSA-N -1 3 371.326 3.082 20 0 FGADHM C[C@H](Nc1ccc(N2CCO[C@H](C)C2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824992244 609280161 /nfs/dbraw/zinc/28/01/61/609280161.db2.gz LCJVHCYQVPJJOA-CABCVRRESA-N -1 3 364.453 3.265 20 0 FGADHM C[C@H](Nc1ccc(N2CCO[C@H](C)C2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824992244 609280162 /nfs/dbraw/zinc/28/01/62/609280162.db2.gz LCJVHCYQVPJJOA-CABCVRRESA-N -1 3 364.453 3.265 20 0 FGADHM O=C(Nc1cc(-c2cccs2)[nH]n1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826450238 609290963 /nfs/dbraw/zinc/29/09/63/609290963.db2.gz CGXOBCCHKDVABY-UHFFFAOYSA-N -1 3 371.813 3.224 20 0 FGADHM O=C(Nc1cc(-c2cccs2)[nH]n1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826450238 609290964 /nfs/dbraw/zinc/29/09/64/609290964.db2.gz CGXOBCCHKDVABY-UHFFFAOYSA-N -1 3 371.813 3.224 20 0 FGADHM CC(C)Oc1ccc(CNC(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)cc1 ZINC000824324801 609296279 /nfs/dbraw/zinc/29/62/79/609296279.db2.gz VYLHYCZPYBEPHG-UHFFFAOYSA-N -1 3 371.828 3.237 20 0 FGADHM CC(C)Oc1ccc(CNC(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)cc1 ZINC000824324801 609296281 /nfs/dbraw/zinc/29/62/81/609296281.db2.gz VYLHYCZPYBEPHG-UHFFFAOYSA-N -1 3 371.828 3.237 20 0 FGADHM CC(C)(NC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)c1cccc(F)c1 ZINC000824167259 609299526 /nfs/dbraw/zinc/29/95/26/609299526.db2.gz PYRJKOAGYWAEHH-UHFFFAOYSA-N -1 3 359.792 3.324 20 0 FGADHM CC(C)(NC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)c1cccc(F)c1 ZINC000824167259 609299528 /nfs/dbraw/zinc/29/95/28/609299528.db2.gz PYRJKOAGYWAEHH-UHFFFAOYSA-N -1 3 359.792 3.324 20 0 FGADHM CCCCc1nc(CSc2nnc(C)c(C)c2-c2nnn[n-]2)cs1 ZINC000825296559 609307302 /nfs/dbraw/zinc/30/73/02/609307302.db2.gz OHINWCDWUWGCGR-UHFFFAOYSA-N -1 3 361.500 3.365 20 0 FGADHM CCCCc1nc(CSc2nnc(C)c(C)c2-c2nn[n-]n2)cs1 ZINC000825296559 609307303 /nfs/dbraw/zinc/30/73/03/609307303.db2.gz OHINWCDWUWGCGR-UHFFFAOYSA-N -1 3 361.500 3.365 20 0 FGADHM Cc1nnc(SCCSc2ccccc2F)c(-c2nnn[n-]2)c1C ZINC000826337712 609307321 /nfs/dbraw/zinc/30/73/21/609307321.db2.gz YNRJTNLXZOKWBD-UHFFFAOYSA-N -1 3 362.459 3.297 20 0 FGADHM Cc1nnc(SCCSc2ccccc2F)c(-c2nn[n-]n2)c1C ZINC000826337712 609307323 /nfs/dbraw/zinc/30/73/23/609307323.db2.gz YNRJTNLXZOKWBD-UHFFFAOYSA-N -1 3 362.459 3.297 20 0 FGADHM Fc1ccc(OCc2ccc(-c3nnn[n-]3)cc2Br)c(F)c1 ZINC000826375800 609308585 /nfs/dbraw/zinc/30/85/85/609308585.db2.gz CAYMLKOLVVJSDL-UHFFFAOYSA-N -1 3 367.153 3.486 20 0 FGADHM Fc1ccc(OCc2ccc(-c3nn[n-]n3)cc2Br)c(F)c1 ZINC000826375800 609308587 /nfs/dbraw/zinc/30/85/87/609308587.db2.gz CAYMLKOLVVJSDL-UHFFFAOYSA-N -1 3 367.153 3.486 20 0 FGADHM CC(C)(C)OCC(=O)N(Cc1ccccc1)c1ccccc1-c1nnn[n-]1 ZINC000824119843 609312230 /nfs/dbraw/zinc/31/22/30/609312230.db2.gz ROAPMXMFCIBSMY-UHFFFAOYSA-N -1 3 365.437 3.215 20 0 FGADHM CC(C)(C)OCC(=O)N(Cc1ccccc1)c1ccccc1-c1nn[n-]n1 ZINC000824119843 609312232 /nfs/dbraw/zinc/31/22/32/609312232.db2.gz ROAPMXMFCIBSMY-UHFFFAOYSA-N -1 3 365.437 3.215 20 0 FGADHM CC(C)(C)OCC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000824119668 609314009 /nfs/dbraw/zinc/31/40/09/609314009.db2.gz NOBXYNVCONOZRH-UHFFFAOYSA-N -1 3 367.409 3.413 20 0 FGADHM CC(C)(C)OCC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000824119668 609314012 /nfs/dbraw/zinc/31/40/12/609314012.db2.gz NOBXYNVCONOZRH-UHFFFAOYSA-N -1 3 367.409 3.413 20 0 FGADHM CCc1cc(N[C@@H](C(=O)OC)c2cccc(-c3nnn[n-]3)c2)ccc1C ZINC000825700767 609314533 /nfs/dbraw/zinc/31/45/33/609314533.db2.gz RRVSBKCRPOWODZ-QGZVFWFLSA-N -1 3 351.410 3.064 20 0 FGADHM CCc1cc(N[C@@H](C(=O)OC)c2cccc(-c3nn[n-]n3)c2)ccc1C ZINC000825700767 609314535 /nfs/dbraw/zinc/31/45/35/609314535.db2.gz RRVSBKCRPOWODZ-QGZVFWFLSA-N -1 3 351.410 3.064 20 0 FGADHM Cc1nnc(N[C@H]2CC=C(c3ccc(F)cc3)CC2)c(-c2nnn[n-]2)c1C ZINC000826336483 609321300 /nfs/dbraw/zinc/32/13/00/609321300.db2.gz ZYFAIYBDQOBBBW-INIZCTEOSA-N -1 3 365.416 3.461 20 0 FGADHM Cc1nnc(N[C@H]2CC=C(c3ccc(F)cc3)CC2)c(-c2nn[n-]n2)c1C ZINC000826336483 609321302 /nfs/dbraw/zinc/32/13/02/609321302.db2.gz ZYFAIYBDQOBBBW-INIZCTEOSA-N -1 3 365.416 3.461 20 0 FGADHM CCc1nnc(N[C@@H]2CCO[C@H](C(CC)CC)C2)c(-c2nnn[n-]2)c1CC ZINC000825767918 609322601 /nfs/dbraw/zinc/32/26/01/609322601.db2.gz UKPIOTMRIPRMEV-CJNGLKHVSA-N -1 3 373.505 3.177 20 0 FGADHM CCc1nnc(N[C@@H]2CCO[C@H](C(CC)CC)C2)c(-c2nn[n-]n2)c1CC ZINC000825767918 609322602 /nfs/dbraw/zinc/32/26/02/609322602.db2.gz UKPIOTMRIPRMEV-CJNGLKHVSA-N -1 3 373.505 3.177 20 0 FGADHM C[C@@H](NCc1cn2cc(Cl)ccc2n1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824627107 609326573 /nfs/dbraw/zinc/32/65/73/609326573.db2.gz UKSUTKSMRZEZOB-SNVBAGLBSA-N -1 3 371.807 3.158 20 0 FGADHM C[C@@H](NCc1cn2cc(Cl)ccc2n1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824627107 609326575 /nfs/dbraw/zinc/32/65/75/609326575.db2.gz UKSUTKSMRZEZOB-SNVBAGLBSA-N -1 3 371.807 3.158 20 0 FGADHM CC(C)(C)C[C@H](NC(=O)Nc1ccc(-c2nnn[n-]2)cc1)C(F)(F)F ZINC000824085098 609334613 /nfs/dbraw/zinc/33/46/13/609334613.db2.gz BEWQEIGQWXKVME-NSHDSACASA-N -1 3 356.352 3.355 20 0 FGADHM CC(C)(C)C[C@H](NC(=O)Nc1ccc(-c2nn[n-]n2)cc1)C(F)(F)F ZINC000824085098 609334615 /nfs/dbraw/zinc/33/46/15/609334615.db2.gz BEWQEIGQWXKVME-NSHDSACASA-N -1 3 356.352 3.355 20 0 FGADHM CC(C)[C@H](N[C@H](C)c1ccc(-c2nnn[n-]2)cc1F)c1nc(C2CC2)no1 ZINC000824538328 609340449 /nfs/dbraw/zinc/34/04/49/609340449.db2.gz IAOHUAURWXXEHR-BMIGLBTASA-N -1 3 371.420 3.314 20 0 FGADHM CC(C)[C@H](N[C@H](C)c1ccc(-c2nn[n-]n2)cc1F)c1nc(C2CC2)no1 ZINC000824538328 609340450 /nfs/dbraw/zinc/34/04/50/609340450.db2.gz IAOHUAURWXXEHR-BMIGLBTASA-N -1 3 371.420 3.314 20 0 FGADHM CCCCn1cc(CN[C@@H](C)c2ccc(-c3nn[n-]n3)cc2F)c(C)n1 ZINC000825302089 609346394 /nfs/dbraw/zinc/34/63/94/609346394.db2.gz WFHMJPGVDIGLLM-ZDUSSCGKSA-N -1 3 357.437 3.162 20 0 FGADHM COc1cc(F)c(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2F)cc1OC ZINC000826180085 609347824 /nfs/dbraw/zinc/34/78/24/609347824.db2.gz RMLWVXZYTVIKGE-VIFPVBQESA-N -1 3 361.352 3.335 20 0 FGADHM COc1cc(F)c(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2F)cc1OC ZINC000826180085 609347825 /nfs/dbraw/zinc/34/78/25/609347825.db2.gz RMLWVXZYTVIKGE-VIFPVBQESA-N -1 3 361.352 3.335 20 0 FGADHM C[C@@H](Nc1cnn(Cc2ccccc2)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824662432 609349082 /nfs/dbraw/zinc/34/90/82/609349082.db2.gz KCNOQEINTGHGHC-CYBMUJFWSA-N -1 3 363.400 3.424 20 0 FGADHM C[C@@H](Nc1cnn(Cc2ccccc2)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824662432 609349083 /nfs/dbraw/zinc/34/90/83/609349083.db2.gz KCNOQEINTGHGHC-CYBMUJFWSA-N -1 3 363.400 3.424 20 0 FGADHM CCOC(=O)Nc1ccc(NCC2(CC)CCOCC2)cc1-c1nnn[n-]1 ZINC000825553203 609368595 /nfs/dbraw/zinc/36/85/95/609368595.db2.gz MSGLXTHKAXXUHK-UHFFFAOYSA-N -1 3 374.445 3.054 20 0 FGADHM CCOC(=O)Nc1ccc(NCC2(CC)CCOCC2)cc1-c1nn[n-]n1 ZINC000825553203 609368598 /nfs/dbraw/zinc/36/85/98/609368598.db2.gz MSGLXTHKAXXUHK-UHFFFAOYSA-N -1 3 374.445 3.054 20 0 FGADHM CCc1cc(NC(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)ccc1C ZINC000825700504 609382892 /nfs/dbraw/zinc/38/28/92/609382892.db2.gz IGLNFDUCDRSNIO-UHFFFAOYSA-N -1 3 350.426 3.401 20 0 FGADHM CCc1cc(NC(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)ccc1C ZINC000825700504 609382894 /nfs/dbraw/zinc/38/28/94/609382894.db2.gz IGLNFDUCDRSNIO-UHFFFAOYSA-N -1 3 350.426 3.401 20 0 FGADHM C[C@H]1CC[C@]2(CCN(c3nc(C(F)(F)F)ccc3-c3nnn[n-]3)C2)C1 ZINC000824919576 609390317 /nfs/dbraw/zinc/39/03/17/609390317.db2.gz WNAKDEKFDBLTFW-BONVTDFDSA-N -1 3 352.364 3.297 20 0 FGADHM C[C@H]1CC[C@]2(CCN(c3nc(C(F)(F)F)ccc3-c3nn[n-]n3)C2)C1 ZINC000824919576 609390320 /nfs/dbraw/zinc/39/03/20/609390320.db2.gz WNAKDEKFDBLTFW-BONVTDFDSA-N -1 3 352.364 3.297 20 0 FGADHM C[C@H](NC(=O)N1CC[C@@]2(CC[C@@H](C)C2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824917849 609401746 /nfs/dbraw/zinc/40/17/46/609401746.db2.gz OCVCAQLMWMTDOA-BIENJYKASA-N -1 3 354.458 3.149 20 0 FGADHM C[C@H](NC(=O)N1CC[C@@]2(CC[C@@H](C)C2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824917849 609401748 /nfs/dbraw/zinc/40/17/48/609401748.db2.gz OCVCAQLMWMTDOA-BIENJYKASA-N -1 3 354.458 3.149 20 0 FGADHM COc1ccc2c(c1)C[C@H](C)N(C(=O)c1sccc1-c1nnn[n-]1)[C@@H]2C ZINC000826212383 609408094 /nfs/dbraw/zinc/40/80/94/609408094.db2.gz OQNUIWPJOCVAEV-WDEREUQCSA-N -1 3 369.450 3.085 20 0 FGADHM COc1ccc2c(c1)C[C@H](C)N(C(=O)c1sccc1-c1nn[n-]n1)[C@@H]2C ZINC000826212383 609408097 /nfs/dbraw/zinc/40/80/97/609408097.db2.gz OQNUIWPJOCVAEV-WDEREUQCSA-N -1 3 369.450 3.085 20 0 FGADHM Brc1cccc(NCCNc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000823832652 609434086 /nfs/dbraw/zinc/43/40/86/609434086.db2.gz RVNXIDRGJNVGEN-UHFFFAOYSA-N -1 3 359.231 3.153 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NCc1ccn(-c2c(F)cccc2F)n1 ZINC000826278419 609437383 /nfs/dbraw/zinc/43/73/83/609437383.db2.gz BCRLZQXPWXURQK-UHFFFAOYSA-N -1 3 367.363 3.251 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NCc1ccn(-c2c(F)cccc2F)n1 ZINC000826278419 609437386 /nfs/dbraw/zinc/43/73/86/609437386.db2.gz BCRLZQXPWXURQK-UHFFFAOYSA-N -1 3 367.363 3.251 20 0 FGADHM CCCNC(=O)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825332607 609441508 /nfs/dbraw/zinc/44/15/08/609441508.db2.gz JUYWPHSTNWPRGW-CYBMUJFWSA-N -1 3 350.426 3.304 20 0 FGADHM CCCNC(=O)N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825332607 609441510 /nfs/dbraw/zinc/44/15/10/609441510.db2.gz JUYWPHSTNWPRGW-CYBMUJFWSA-N -1 3 350.426 3.304 20 0 FGADHM CCCNC(=S)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825332517 609443294 /nfs/dbraw/zinc/44/32/94/609443294.db2.gz HKBFSSXWWUOELL-ZDUSSCGKSA-N -1 3 366.494 3.469 20 0 FGADHM CCCNC(=S)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825332517 609443296 /nfs/dbraw/zinc/44/32/96/609443296.db2.gz HKBFSSXWWUOELL-ZDUSSCGKSA-N -1 3 366.494 3.469 20 0 FGADHM Cc1ccnc(CSc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)n1 ZINC000826308709 609451032 /nfs/dbraw/zinc/45/10/32/609451032.db2.gz LWAHRYICJUGQOZ-UHFFFAOYSA-N -1 3 352.345 3.276 20 0 FGADHM Cc1ccnc(CSc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)n1 ZINC000826308709 609451033 /nfs/dbraw/zinc/45/10/33/609451033.db2.gz LWAHRYICJUGQOZ-UHFFFAOYSA-N -1 3 352.345 3.276 20 0 FGADHM CC(=O)OCCCCSc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000824009918 609451856 /nfs/dbraw/zinc/45/18/56/609451856.db2.gz FHJFPRGZHYBWND-UHFFFAOYSA-N -1 3 360.361 3.321 20 0 FGADHM CC(=O)OCCCCSc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000824009918 609451858 /nfs/dbraw/zinc/45/18/58/609451858.db2.gz FHJFPRGZHYBWND-UHFFFAOYSA-N -1 3 360.361 3.321 20 0 FGADHM CC(C)(C)Oc1ccc(CNc2nc3ccccn3c2-c2nnn[n-]2)cc1 ZINC000824123654 609465356 /nfs/dbraw/zinc/46/53/56/609465356.db2.gz JYDCLUIKGBSECS-UHFFFAOYSA-N -1 3 363.425 3.304 20 0 FGADHM CC(C)(C)Oc1ccc(CNc2nc3ccccn3c2-c2nn[n-]n2)cc1 ZINC000824123654 609465358 /nfs/dbraw/zinc/46/53/58/609465358.db2.gz JYDCLUIKGBSECS-UHFFFAOYSA-N -1 3 363.425 3.304 20 0 FGADHM CC(C)(C)OC(=O)N1CCC(CCNc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000695178224 609471596 /nfs/dbraw/zinc/47/15/96/609471596.db2.gz CYETVRWWHWVORM-UHFFFAOYSA-N -1 3 372.473 3.316 20 0 FGADHM CC(C)(C)OC(=O)N1CCC(CCNc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000695178224 609471598 /nfs/dbraw/zinc/47/15/98/609471598.db2.gz CYETVRWWHWVORM-UHFFFAOYSA-N -1 3 372.473 3.316 20 0 FGADHM Fc1c(CNc2cccc(OC[C@@H]3CCCO3)c2)cccc1-c1nnn[n-]1 ZINC000826370868 609476538 /nfs/dbraw/zinc/47/65/38/609476538.db2.gz KFLWHHJJKBBJDI-INIZCTEOSA-N -1 3 369.400 3.176 20 0 FGADHM Fc1c(CNc2cccc(OC[C@@H]3CCCO3)c2)cccc1-c1nn[n-]n1 ZINC000826370868 609476542 /nfs/dbraw/zinc/47/65/42/609476542.db2.gz KFLWHHJJKBBJDI-INIZCTEOSA-N -1 3 369.400 3.176 20 0 FGADHM Cc1ncc(CNc2ccc(OCc3cccc(-c4nnn[n-]4)c3)cc2)cn1 ZINC000826330341 609484695 /nfs/dbraw/zinc/48/46/95/609484695.db2.gz PSHJLWFYOIREAD-UHFFFAOYSA-N -1 3 373.420 3.156 20 0 FGADHM Cc1ncc(CNc2ccc(OCc3cccc(-c4nn[n-]n4)c3)cc2)cn1 ZINC000826330341 609484698 /nfs/dbraw/zinc/48/46/98/609484698.db2.gz PSHJLWFYOIREAD-UHFFFAOYSA-N -1 3 373.420 3.156 20 0 FGADHM Cc1cc(F)ccc1CSCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000826269020 609490552 /nfs/dbraw/zinc/49/05/52/609490552.db2.gz XVBBPMLKQNEEEP-UHFFFAOYSA-N -1 3 357.414 3.186 20 0 FGADHM Cc1cc(F)ccc1CSCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000826269020 609490554 /nfs/dbraw/zinc/49/05/54/609490554.db2.gz XVBBPMLKQNEEEP-UHFFFAOYSA-N -1 3 357.414 3.186 20 0 FGADHM CC[C@H](C)c1ccc(OS(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000825075598 609507225 /nfs/dbraw/zinc/50/72/25/609507225.db2.gz QLYZRIYTEYDHCE-ZDUSSCGKSA-N -1 3 372.450 3.289 20 0 FGADHM CC[C@H](C)c1ccc(OS(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825075598 609507228 /nfs/dbraw/zinc/50/72/28/609507228.db2.gz QLYZRIYTEYDHCE-ZDUSSCGKSA-N -1 3 372.450 3.289 20 0 FGADHM CCOC(=O)c1sc(NC(=O)[C@H](C)[C@H](C)CC)c(-c2nnn[n-]2)c1C ZINC000825576022 609508609 /nfs/dbraw/zinc/50/86/09/609508609.db2.gz BJFQACFLFIKCMJ-RKDXNWHRSA-N -1 3 365.459 3.034 20 0 FGADHM CCOC(=O)c1sc(NC(=O)[C@H](C)[C@H](C)CC)c(-c2nn[n-]n2)c1C ZINC000825576022 609508611 /nfs/dbraw/zinc/50/86/11/609508611.db2.gz BJFQACFLFIKCMJ-RKDXNWHRSA-N -1 3 365.459 3.034 20 0 FGADHM CC[C@H](C)c1ccccc1OS(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000825075886 609509635 /nfs/dbraw/zinc/50/96/35/609509635.db2.gz SEKVMWIGAZBTPD-ZDUSSCGKSA-N -1 3 372.450 3.289 20 0 FGADHM CC[C@H](C)c1ccccc1OS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000825075886 609509636 /nfs/dbraw/zinc/50/96/36/609509636.db2.gz SEKVMWIGAZBTPD-ZDUSSCGKSA-N -1 3 372.450 3.289 20 0 FGADHM CSc1c(F)cc(NC(=O)c2ccc(-c3nnn[n-]3)cc2C)cc1F ZINC000826229948 609517677 /nfs/dbraw/zinc/51/76/77/609517677.db2.gz XQNGSWAIDXRBIJ-UHFFFAOYSA-N -1 3 361.377 3.428 20 0 FGADHM CSc1c(F)cc(NC(=O)c2ccc(-c3nn[n-]n3)cc2C)cc1F ZINC000826229948 609517679 /nfs/dbraw/zinc/51/76/79/609517679.db2.gz XQNGSWAIDXRBIJ-UHFFFAOYSA-N -1 3 361.377 3.428 20 0 FGADHM CC[C@@H]1C[C@H](C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)CC(C)C)CCO1 ZINC000825182440 609523509 /nfs/dbraw/zinc/52/35/09/609523509.db2.gz JGMUNXINZSSZRS-QZTJIDSGSA-N -1 3 371.485 3.057 20 0 FGADHM CC[C@@H]1C[C@H](C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)CC(C)C)CCO1 ZINC000825182440 609523512 /nfs/dbraw/zinc/52/35/12/609523512.db2.gz JGMUNXINZSSZRS-QZTJIDSGSA-N -1 3 371.485 3.057 20 0 FGADHM Cc1c(Cl)cnc(NCCc2ccc3ccccc3n2)c1-c1nnn[n-]1 ZINC000826240559 609541100 /nfs/dbraw/zinc/54/11/00/609541100.db2.gz ZYKVFPYGNDYSPD-UHFFFAOYSA-N -1 3 365.828 3.426 20 0 FGADHM Cc1c(Cl)cnc(NCCc2ccc3ccccc3n2)c1-c1nn[n-]n1 ZINC000826240559 609541102 /nfs/dbraw/zinc/54/11/02/609541102.db2.gz ZYKVFPYGNDYSPD-UHFFFAOYSA-N -1 3 365.828 3.426 20 0 FGADHM COc1ccc([C@@H]2CCN(c3ncc(Cl)c(C)c3-c3nnn[n-]3)C2)cc1 ZINC000826191070 609543814 /nfs/dbraw/zinc/54/38/14/609543814.db2.gz WHWDGXRIVNNKIT-CYBMUJFWSA-N -1 3 370.844 3.226 20 0 FGADHM COc1ccc([C@@H]2CCN(c3ncc(Cl)c(C)c3-c3nn[n-]n3)C2)cc1 ZINC000826191070 609543815 /nfs/dbraw/zinc/54/38/15/609543815.db2.gz WHWDGXRIVNNKIT-CYBMUJFWSA-N -1 3 370.844 3.226 20 0 FGADHM CCN(C[C@@H](O)c1ccc(C)cc1)c1ncc(Cl)c(C)c1-c1nnn[n-]1 ZINC000825399026 609567399 /nfs/dbraw/zinc/56/73/99/609567399.db2.gz FXIPTSSSQBYLAU-OAHLLOKOSA-N -1 3 372.860 3.092 20 0 FGADHM CCN(C[C@@H](O)c1ccc(C)cc1)c1ncc(Cl)c(C)c1-c1nn[n-]n1 ZINC000825399026 609567401 /nfs/dbraw/zinc/56/74/01/609567401.db2.gz FXIPTSSSQBYLAU-OAHLLOKOSA-N -1 3 372.860 3.092 20 0 FGADHM Cc1ccnc(N[C@@H]2CCCc3c2cnn3C(C)(C)C)c1-c1nnn[n-]1 ZINC000826312494 609572739 /nfs/dbraw/zinc/57/27/39/609572739.db2.gz FXXPGKZJAXCDKP-CYBMUJFWSA-N -1 3 352.446 3.011 20 0 FGADHM Cc1ccnc(N[C@@H]2CCCc3c2cnn3C(C)(C)C)c1-c1nn[n-]n1 ZINC000826312494 609572740 /nfs/dbraw/zinc/57/27/40/609572740.db2.gz FXXPGKZJAXCDKP-CYBMUJFWSA-N -1 3 352.446 3.011 20 0 FGADHM c1ccc(OC[C@H]2CCN(c3c(-c4nnn[n-]4)cnc4ccccc43)C2)cc1 ZINC000826522921 609573594 /nfs/dbraw/zinc/57/35/94/609573594.db2.gz TVGUTEFTDHUXSS-HNNXBMFYSA-N -1 3 372.432 3.320 20 0 FGADHM c1ccc(OC[C@H]2CCN(c3c(-c4nn[n-]n4)cnc4ccccc43)C2)cc1 ZINC000826522921 609573596 /nfs/dbraw/zinc/57/35/96/609573596.db2.gz TVGUTEFTDHUXSS-HNNXBMFYSA-N -1 3 372.432 3.320 20 0 FGADHM Cc1cccc([C@@H]2CCCN2c2ncc(Cl)c(C)c2-c2nnn[n-]2)n1 ZINC000826297443 609578556 /nfs/dbraw/zinc/57/85/56/609578556.db2.gz HUBJANSIYXKCDR-AWEZNQCLSA-N -1 3 355.833 3.268 20 0 FGADHM Cc1cccc([C@@H]2CCCN2c2ncc(Cl)c(C)c2-c2nn[n-]n2)n1 ZINC000826297443 609578558 /nfs/dbraw/zinc/57/85/58/609578558.db2.gz HUBJANSIYXKCDR-AWEZNQCLSA-N -1 3 355.833 3.268 20 0 FGADHM CC[C@@H]1C[C@H](C(=O)N(CC)c2ccc(-c3nnn[n-]3)c(Cl)c2)CCO1 ZINC000825176389 609599499 /nfs/dbraw/zinc/59/94/99/609599499.db2.gz RQBWIQADGNFKNX-DGCLKSJQSA-N -1 3 363.849 3.078 20 0 FGADHM CC[C@@H]1C[C@H](C(=O)N(CC)c2ccc(-c3nn[n-]n3)c(Cl)c2)CCO1 ZINC000825176389 609599500 /nfs/dbraw/zinc/59/95/00/609599500.db2.gz RQBWIQADGNFKNX-DGCLKSJQSA-N -1 3 363.849 3.078 20 0 FGADHM COc1ccc(C=CC(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)cc1 ZINC000826190538 609615641 /nfs/dbraw/zinc/61/56/41/609615641.db2.gz FCXDVDSCCYNIJV-RUDMXATFSA-N -1 3 370.796 3.285 20 0 FGADHM COc1ccc(C=CC(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)cc1 ZINC000826190538 609615643 /nfs/dbraw/zinc/61/56/43/609615643.db2.gz FCXDVDSCCYNIJV-RUDMXATFSA-N -1 3 370.796 3.285 20 0 FGADHM CC(C)Oc1cccc(C(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000824333433 609616903 /nfs/dbraw/zinc/61/69/03/609616903.db2.gz JQFXIYHSBQFKBS-UHFFFAOYSA-N -1 3 373.800 3.059 20 0 FGADHM CC(C)Oc1cccc(C(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000824333433 609616905 /nfs/dbraw/zinc/61/69/05/609616905.db2.gz JQFXIYHSBQFKBS-UHFFFAOYSA-N -1 3 373.800 3.059 20 0 FGADHM CCO[C@H](C(=O)OCc1ccc(Cl)cc1-c1nnn[n-]1)c1ccccc1 ZINC000825576456 609616947 /nfs/dbraw/zinc/61/69/47/609616947.db2.gz HSZLLYCKNRXTIX-INIZCTEOSA-N -1 3 372.812 3.341 20 0 FGADHM CCO[C@H](C(=O)OCc1ccc(Cl)cc1-c1nn[n-]n1)c1ccccc1 ZINC000825576456 609616948 /nfs/dbraw/zinc/61/69/48/609616948.db2.gz HSZLLYCKNRXTIX-INIZCTEOSA-N -1 3 372.812 3.341 20 0 FGADHM CCCc1ncc(C(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)s1 ZINC000825352445 609617062 /nfs/dbraw/zinc/61/70/62/609617062.db2.gz NOONRWOZJPBBND-UHFFFAOYSA-N -1 3 363.830 3.286 20 0 FGADHM CCCc1ncc(C(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)s1 ZINC000825352445 609617064 /nfs/dbraw/zinc/61/70/64/609617064.db2.gz NOONRWOZJPBBND-UHFFFAOYSA-N -1 3 363.830 3.286 20 0 FGADHM COc1ccc(F)cc1C(=O)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826209236 609618499 /nfs/dbraw/zinc/61/84/99/609618499.db2.gz SKZLNCHNVMGUHU-UHFFFAOYSA-N -1 3 362.748 3.025 20 0 FGADHM COc1ccc(F)cc1C(=O)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826209236 609618500 /nfs/dbraw/zinc/61/85/00/609618500.db2.gz SKZLNCHNVMGUHU-UHFFFAOYSA-N -1 3 362.748 3.025 20 0 FGADHM Cc1noc(C(F)F)c1C(=O)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826338029 609619021 /nfs/dbraw/zinc/61/90/21/609619021.db2.gz ISEFAGUCMJFPBB-UHFFFAOYSA-N -1 3 369.715 3.111 20 0 FGADHM Cc1noc(C(F)F)c1C(=O)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826338029 609619023 /nfs/dbraw/zinc/61/90/23/609619023.db2.gz ISEFAGUCMJFPBB-UHFFFAOYSA-N -1 3 369.715 3.111 20 0 FGADHM C[C@H](OC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)c1cccc2ccccc21 ZINC000824715683 609634785 /nfs/dbraw/zinc/63/47/85/609634785.db2.gz UGHLMLWJWWAPEK-DJJJIMSYSA-N -1 3 374.400 3.358 20 0 FGADHM C[C@H](OC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)c1cccc2ccccc21 ZINC000824715683 609634786 /nfs/dbraw/zinc/63/47/86/609634786.db2.gz UGHLMLWJWWAPEK-DJJJIMSYSA-N -1 3 374.400 3.358 20 0 FGADHM CCCc1ccc([N-]S(=O)(=O)c2ccc(OC)c(NC(C)=O)c2)cc1 ZINC000007055802 695562043 /nfs/dbraw/zinc/56/20/43/695562043.db2.gz BRRGARYRCUDBER-UHFFFAOYSA-N -1 3 362.451 3.407 20 0 FGADHM O=S(=O)([N-]Cc1ccccc1OC(F)(F)F)c1ccc(F)cc1F ZINC000010757020 695593287 /nfs/dbraw/zinc/59/32/87/695593287.db2.gz OJYIIMQJYBVPSM-UHFFFAOYSA-N -1 3 367.295 3.342 20 0 FGADHM O=C(COC(=O)c1cc(Cl)c(Cl)[n-]1)NCc1ccc(Cl)cc1 ZINC000011808758 695602339 /nfs/dbraw/zinc/60/23/39/695602339.db2.gz WOSXDAKKNHEKGS-UHFFFAOYSA-N -1 3 361.612 3.448 20 0 FGADHM O=C(COC(=O)c1cc(Cl)c(Cl)[n-]1)N1CCc2ccccc2C1 ZINC000011808855 695602582 /nfs/dbraw/zinc/60/25/82/695602582.db2.gz CIOWGZVRDUUWFA-UHFFFAOYSA-N -1 3 353.205 3.063 20 0 FGADHM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3cc(Cl)ccc3F)ccc21 ZINC000015246061 695617114 /nfs/dbraw/zinc/61/71/14/695617114.db2.gz NKIPERMVWIUNIH-UHFFFAOYSA-N -1 3 368.817 3.189 20 0 FGADHM O=C([N-]NC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(F)cc1Cl ZINC000017158000 695633485 /nfs/dbraw/zinc/63/34/85/695633485.db2.gz VKPQJMOIOXBBSW-UHFFFAOYSA-N -1 3 350.821 3.457 20 0 FGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)/C=C/c1ccc(Cl)cc1 ZINC000028020662 695699334 /nfs/dbraw/zinc/69/93/34/695699334.db2.gz SZZXRVOKYJQNSQ-DHZHZOJOSA-N -1 3 350.827 3.363 20 0 FGADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCCCO3)cc1C ZINC000032590680 695746490 /nfs/dbraw/zinc/74/64/90/695746490.db2.gz CMAFGVCGBFWPHO-UHFFFAOYSA-N -1 3 363.435 3.356 20 0 FGADHM Cc1cc(C(N)=O)ccc1[N-]S(=O)(=O)c1c(C)c(C)c(C)c(C)c1C ZINC000032629936 695746884 /nfs/dbraw/zinc/74/68/84/695746884.db2.gz ZIIGUQNZLIVRQU-UHFFFAOYSA-N -1 3 360.479 3.437 20 0 FGADHM O=C(COC(=O)c1cc2c(s1)CCCCC2)[N-]C(=O)c1cccs1 ZINC000042981690 695787602 /nfs/dbraw/zinc/78/76/02/695787602.db2.gz 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ZINC000051741614 695915941 /nfs/dbraw/zinc/91/59/41/695915941.db2.gz BWCGXAMYOUVWAM-UHFFFAOYSA-N -1 3 365.838 3.224 20 0 FGADHM COc1cc[n-]c(=NNC(=O)[C@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)n1 ZINC000068724949 695943433 /nfs/dbraw/zinc/94/34/33/695943433.db2.gz MKFNBCXNKGXENS-ZJUUUORDSA-N -1 3 353.209 3.039 20 0 FGADHM Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)NN=c1nc(C)cc(C)[n-]1 ZINC000071417895 695957669 /nfs/dbraw/zinc/95/76/69/695957669.db2.gz LJASMHSDLCTVLR-UHFFFAOYSA-N -1 3 361.471 3.205 20 0 FGADHM O=S(=O)([N-]Cc1ccc(F)c(F)c1)c1cnc(Cl)c(Cl)c1 ZINC000081673319 700339057 /nfs/dbraw/zinc/33/90/57/700339057.db2.gz GAISOGPHUNQSAG-UHFFFAOYSA-N -1 3 353.177 3.145 20 0 FGADHM C[C@H](C(=O)Nc1cc(Cl)ccc1[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000084631361 700361092 /nfs/dbraw/zinc/36/10/92/700361092.db2.gz KMWLXUCPUMVRCY-JTQLQIEISA-N -1 3 353.827 3.191 20 0 FGADHM CCOc1cc(C=C2SC(=O)[N-]C2=O)cc(Br)c1OC ZINC000106692750 700509861 /nfs/dbraw/zinc/50/98/61/700509861.db2.gz GBDKQYOSWBWYDD-POHAHGRESA-N -1 3 358.213 3.180 20 0 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358.785 3.104 20 0 FGADHM Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2cccc3n[n-]nc32)c(Cl)c1 ZINC000800207148 724166313 /nfs/dbraw/zinc/16/63/13/724166313.db2.gz PPKJUABTNPDKFU-SNVBAGLBSA-N -1 3 358.785 3.104 20 0 FGADHM CC(C)C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)CCO1 ZINC000776871570 724191230 /nfs/dbraw/zinc/19/12/30/724191230.db2.gz IXLANEBATYWCGO-WDEREUQCSA-N -1 3 367.298 3.260 20 0 FGADHM O=C(Cc1cccc(I)c1)[N-]OC1CCCCC1 ZINC000777961120 724276108 /nfs/dbraw/zinc/27/61/08/724276108.db2.gz GIQDZKDTLLKJFN-UHFFFAOYSA-N -1 3 359.207 3.214 20 0 FGADHM CC(C)N(C)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCO3)cc1F ZINC000778083276 724294743 /nfs/dbraw/zinc/29/47/43/724294743.db2.gz YYMLWJRFMKRLTJ-UHFFFAOYSA-N -1 3 366.414 3.200 20 0 FGADHM C[C@H]1CC(CC[N-]S(=O)(=O)c2ccc(Cl)nc2Cl)C[C@H](C)O1 ZINC000801704548 724326665 /nfs/dbraw/zinc/32/66/65/724326665.db2.gz POLDZPPMBGQHSU-UWVGGRQHSA-N -1 3 367.298 3.260 20 0 FGADHM CC(C)[C@H](F)C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000784437250 724852919 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CC(C)(C)OC(=O)N1C[C@@H]2CCN(Cc3cccc([O-])c3Cl)[C@@H]2C1 ZINC000825294255 729377435 /nfs/dbraw/zinc/37/74/35/729377435.db2.gz MGYZKFXMHVDMFH-GXTWGEPZSA-N -1 3 352.862 3.487 20 0 FGADHM CCOc1cc(Cl)ccc1C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825615867 729389502 /nfs/dbraw/zinc/38/95/02/729389502.db2.gz NXHCPDZQAONEHK-UHFFFAOYSA-N -1 3 357.801 3.195 20 0 FGADHM CCOc1cc(Cl)ccc1C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825615867 729389504 /nfs/dbraw/zinc/38/95/04/729389504.db2.gz NXHCPDZQAONEHK-UHFFFAOYSA-N -1 3 357.801 3.195 20 0 FGADHM COc1ccc(CNc2ccc(SC(F)F)nc2)cc1-c1nnn[n-]1 ZINC000826203821 729406095 /nfs/dbraw/zinc/40/60/95/729406095.db2.gz HOLZLUQPUQRUMK-UHFFFAOYSA-N -1 3 364.381 3.197 20 0 FGADHM COc1ccc(CNc2ccc(SC(F)F)nc2)cc1-c1nn[n-]n1 ZINC000826203821 729406096 /nfs/dbraw/zinc/40/60/96/729406096.db2.gz HOLZLUQPUQRUMK-UHFFFAOYSA-N -1 3 364.381 3.197 20 0 FGADHM Cc1c(Cl)cnc(N[C@@H](C)C[C@H](O)c2cccs2)c1-c1nnn[n-]1 ZINC000826239012 729406559 /nfs/dbraw/zinc/40/65/59/729406559.db2.gz 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FC(F)(F)[C@@H](NCC[C@@H]1CCCCO1)c1cccc(-c2nnn[n-]2)c1 ZINC000826367164 729407700 /nfs/dbraw/zinc/40/77/00/729407700.db2.gz OJAFZHLVQUQXET-KBPBESRZSA-N -1 3 355.364 3.019 20 0 FGADHM FC(F)(F)[C@@H](NCC[C@@H]1CCCCO1)c1cccc(-c2nn[n-]n2)c1 ZINC000826367164 729407702 /nfs/dbraw/zinc/40/77/02/729407702.db2.gz OJAFZHLVQUQXET-KBPBESRZSA-N -1 3 355.364 3.019 20 0 FGADHM Fc1ccc(CN[C@H](c2cccc(-c3nnn[n-]3)c2)C(F)(F)F)cc1 ZINC000826374547 729407758 /nfs/dbraw/zinc/40/77/58/729407758.db2.gz DCBWMGQZPDFGPJ-CQSZACIVSA-N -1 3 351.307 3.399 20 0 FGADHM Fc1ccc(CN[C@H](c2cccc(-c3nn[n-]n3)c2)C(F)(F)F)cc1 ZINC000826374547 729407759 /nfs/dbraw/zinc/40/77/59/729407759.db2.gz DCBWMGQZPDFGPJ-CQSZACIVSA-N -1 3 351.307 3.399 20 0 FGADHM O=C(Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1)c1cccs1 ZINC000826458271 729408190 /nfs/dbraw/zinc/40/81/90/729408190.db2.gz JWTXQHGJVKGJDX-UHFFFAOYSA-N -1 3 371.813 3.020 20 0 FGADHM O=C(Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1)c1cccs1 ZINC000826458271 729408191 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CCCSCC(=O)Nc1cc([N-]S(=O)(=O)CCC)c(F)cc1F ZINC000110688745 495000981 /nfs/dbraw/zinc/00/09/81/495000981.db2.gz OQISFMIZGYUJKZ-UHFFFAOYSA-N -1 3 366.455 3.198 20 0 FGADHM Cc1ccc(NC(=O)C2(NC(=O)NCc3ccccc3)CCCC2)c([O-])c1 ZINC000122560558 494993816 /nfs/dbraw/zinc/99/38/16/494993816.db2.gz AIBIAEMMAWZQRX-UHFFFAOYSA-N -1 3 367.449 3.451 20 0 FGADHM Cc1ccc(NC(=O)[C@H](C(C)C)n2nnc(-c3ccccc3)n2)c([O-])c1 ZINC000122591713 495000076 /nfs/dbraw/zinc/00/00/76/495000076.db2.gz CZUYUUOWUKOVLZ-KRWDZBQOSA-N -1 3 351.410 3.190 20 0 FGADHM Cc1cc(C)n2nc(C(=O)[N-]c3sccc3C(=O)C(C)(C)C)nc2n1 ZINC000118627212 495018153 /nfs/dbraw/zinc/01/81/53/495018153.db2.gz WATZWGMYVOQTFO-UHFFFAOYSA-N -1 3 357.439 3.284 20 0 FGADHM Cc1cc(Br)oc1C(=O)[N-]c1sccc1S(C)(=O)=O ZINC000118635161 495018844 /nfs/dbraw/zinc/01/88/44/495018844.db2.gz PLNZDNWVQFYQKD-UHFFFAOYSA-N -1 3 364.242 3.068 20 0 FGADHM CCSCC[C@H](C)NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000133582953 495031627 /nfs/dbraw/zinc/03/16/27/495031627.db2.gz 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20 0 FGADHM Cc1nc(C)c(CCC(=O)N2C[C@H]3CCCC[C@@]32c2ccccc2)c(=O)[n-]1 ZINC000119074461 495086302 /nfs/dbraw/zinc/08/63/02/495086302.db2.gz OVQIJGYSAJZPTC-XMSQKQJNSA-N -1 3 365.477 3.247 20 0 FGADHM C[C@@H](CC(=O)c1ccccc1)[N-]S(=O)(=O)c1cccc2c1N=S=N2 ZINC000134142791 495112563 /nfs/dbraw/zinc/11/25/63/495112563.db2.gz KGYMFXRSAHDTEK-NSHDSACASA-N -1 3 361.448 3.353 20 0 FGADHM C[C@@H](CC(=O)c1ccccc1)[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000134183378 495118991 /nfs/dbraw/zinc/11/89/91/495118991.db2.gz PKJKKVLDGZXVHL-JTQLQIEISA-N -1 3 357.353 3.044 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H]3C[C@@H](C(C)=O)C3(C)C)c2)n1 ZINC000128611701 495124490 /nfs/dbraw/zinc/12/44/90/495124490.db2.gz SLEJSZUFMDGQOF-DLBZAZTESA-N -1 3 367.449 3.189 20 0 FGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)[C@H]1SCCc2sccc21 ZINC000134289945 495130754 /nfs/dbraw/zinc/13/07/54/495130754.db2.gz QKXPYSUQJGNKOU-ZDUSSCGKSA-N -1 3 366.464 3.444 20 0 FGADHM Cn1ccnc1-c1cc(NC(=O)Cc2c[nH]c3cc(Cl)ccc23)n[n-]1 ZINC000119297951 495136563 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353.426 3.341 20 0 FGADHM CC(C)(C)c1nc(=NC(=O)c2ccc(CN3CCCCC3)cc2)s[n-]1 ZINC000577634424 505768223 /nfs/dbraw/zinc/76/82/23/505768223.db2.gz QKQQQHHFYAXQCJ-UHFFFAOYSA-N -1 3 358.511 3.496 20 0 FGADHM CCCOc1ccc(CCC(=O)Nc2cc(-c3nccn3C)[n-]n2)cc1 ZINC000119702207 495222434 /nfs/dbraw/zinc/22/24/34/495222434.db2.gz IPSGOVOULVPHLX-UHFFFAOYSA-N -1 3 353.426 3.170 20 0 FGADHM CCCOc1ccc(CCC(=O)Nc2cc(-c3nccn3C)n[n-]2)cc1 ZINC000119702207 495222439 /nfs/dbraw/zinc/22/24/39/495222439.db2.gz IPSGOVOULVPHLX-UHFFFAOYSA-N -1 3 353.426 3.170 20 0 FGADHM Cn1ccnc1-c1cc(NC(=O)c2ccnc(OCc3ccccc3)c2)n[n-]1 ZINC000119737480 495230118 /nfs/dbraw/zinc/23/01/18/495230118.db2.gz QMCDOHVGOQWHQZ-UHFFFAOYSA-N -1 3 374.404 3.037 20 0 FGADHM Cn1ccnc1-c1cc(NC(=O)c2ccnc(OCc3ccccc3)c2)[n-]n1 ZINC000119737480 495230121 /nfs/dbraw/zinc/23/01/21/495230121.db2.gz QMCDOHVGOQWHQZ-UHFFFAOYSA-N -1 3 374.404 3.037 20 0 FGADHM CCc1ncnc(CC)c1C(=O)Nc1ccc(Br)cc1[O-] ZINC000574417329 505768643 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/nfs/dbraw/zinc/50/98/76/495509876.db2.gz GAFDYBNSXUUDOJ-DEOSSOPVSA-N -1 3 363.826 3.454 20 0 FGADHM C[S@@](=O)Cc1cc(NC(=O)c2cc(-c3ccco3)n[n-]2)ccc1Cl ZINC000115485445 495509878 /nfs/dbraw/zinc/50/98/78/495509878.db2.gz GAFDYBNSXUUDOJ-DEOSSOPVSA-N -1 3 363.826 3.454 20 0 FGADHM CN(Cc1nc2ccccc2n1C)C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000131236501 495510426 /nfs/dbraw/zinc/51/04/26/495510426.db2.gz UWXIXVJJJCDWSS-UHFFFAOYSA-N -1 3 365.433 3.265 20 0 FGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@H]1c2ccccc2CC[C@@H]1C ZINC000179308344 495537439 /nfs/dbraw/zinc/53/74/39/495537439.db2.gz BJABHYAIMDAMEX-XHDPSFHLSA-N -1 3 365.476 3.137 20 0 FGADHM O=C(Cc1ccc([O-])cc1Cl)N(C[C@H]1CCCO1)[C@H]1CCSC1 ZINC000182386415 495543378 /nfs/dbraw/zinc/54/33/78/495543378.db2.gz GTTOORGOZFTUBW-DZGCQCFKSA-N -1 3 355.887 3.101 20 0 FGADHM COC(=O)[C@@H](C)[C@@H](NC(=O)Cc1ccc([O-])cc1Cl)c1ccccc1 ZINC000158674980 495564974 /nfs/dbraw/zinc/56/49/74/495564974.db2.gz GWCXSIRZZFEQAV-KPZWWZAWSA-N -1 3 361.825 3.255 20 0 FGADHM 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495628796 /nfs/dbraw/zinc/62/87/96/495628796.db2.gz KINZZLCNLWVYGS-CQSZACIVSA-N -1 3 350.418 3.460 20 0 FGADHM COC(=O)CCc1csc([N-]C(=O)c2cc(-c3ccccc3)no2)n1 ZINC000159005427 495635710 /nfs/dbraw/zinc/63/57/10/495635710.db2.gz RAIIUIMKRZPRBQ-UHFFFAOYSA-N -1 3 357.391 3.156 20 0 FGADHM Cc1c(C(=O)Nc2c(C)cccc2[O-])nnn1-c1cccc2ncccc21 ZINC000179566366 495643054 /nfs/dbraw/zinc/64/30/54/495643054.db2.gz VETPBKOTILFJAB-UHFFFAOYSA-N -1 3 359.389 3.390 20 0 FGADHM O=C(COCCOc1ccccc1)Nc1cc(Br)ccc1[O-] ZINC000176435030 495650013 /nfs/dbraw/zinc/65/00/13/495650013.db2.gz YPZAFGMYYRSRSL-UHFFFAOYSA-N -1 3 366.211 3.189 20 0 FGADHM Cc1nn(-c2ccccc2)cc1CNC(=O)NCc1ccc([O-])c(F)c1 ZINC000182654684 495650638 /nfs/dbraw/zinc/65/06/38/495650638.db2.gz WVDCHIMQTSSGSK-UHFFFAOYSA-N -1 3 354.385 3.025 20 0 FGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(NC(=O)CCC(F)(F)F)ccc1F ZINC000173718463 495661742 /nfs/dbraw/zinc/66/17/42/495661742.db2.gz AKXBQHVSEBHRAN-UHFFFAOYSA-N -1 3 370.368 3.184 20 0 FGADHM CCc1nnc(NC(=O)c2c[n-]nc2-c2cccc(OC(F)F)c2)s1 ZINC000173731353 495668513 /nfs/dbraw/zinc/66/85/13/495668513.db2.gz KJHHRIYUPKMYTJ-UHFFFAOYSA-N -1 3 365.365 3.344 20 0 FGADHM CCc1nnc(NC(=O)c2cn[n-]c2-c2cccc(OC(F)F)c2)s1 ZINC000173731353 495668518 /nfs/dbraw/zinc/66/85/18/495668518.db2.gz KJHHRIYUPKMYTJ-UHFFFAOYSA-N -1 3 365.365 3.344 20 0 FGADHM O=C(NCc1ccc(Oc2ccc(F)cc2)nc1)c1cccc2nn[n-]c21 ZINC000182726292 495677892 /nfs/dbraw/zinc/67/78/92/495677892.db2.gz NQQYRYJQMNEHGS-UHFFFAOYSA-N -1 3 363.352 3.214 20 0 FGADHM O=C(NCc1ccc(Oc2ccc(F)cc2)nc1)c1cccc2[n-]nnc21 ZINC000182726292 495677895 /nfs/dbraw/zinc/67/78/95/495677895.db2.gz NQQYRYJQMNEHGS-UHFFFAOYSA-N -1 3 363.352 3.214 20 0 FGADHM O=C(NCc1ccc(Oc2ccc(F)cc2)nc1)c1cccc2n[n-]nc21 ZINC000182726292 495677898 /nfs/dbraw/zinc/67/78/98/495677898.db2.gz NQQYRYJQMNEHGS-UHFFFAOYSA-N -1 3 363.352 3.214 20 0 FGADHM CCO[C@H](CCNC(=O)NCc1ccc([O-])c(Br)c1)C(C)C ZINC000150940138 495688363 /nfs/dbraw/zinc/68/83/63/495688363.db2.gz 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368.408 3.481 20 0 FGADHM O=C(Cc1c[nH]c2ccc(Cl)cc12)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000151253766 495784699 /nfs/dbraw/zinc/78/46/99/495784699.db2.gz AARSXDUZDFBKDO-UHFFFAOYSA-N -1 3 352.785 3.183 20 0 FGADHM O=C(Cc1c[nH]c2ccc(Cl)cc12)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000151253766 495784706 /nfs/dbraw/zinc/78/47/06/495784706.db2.gz AARSXDUZDFBKDO-UHFFFAOYSA-N -1 3 352.785 3.183 20 0 FGADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)Cc3cc(F)c(F)cc3F)cc2)n1 ZINC000154959342 495785420 /nfs/dbraw/zinc/78/54/20/495785420.db2.gz JQZPOJKIIWFMDO-UHFFFAOYSA-N -1 3 373.334 3.344 20 0 FGADHM COc1nnc(NC(=O)[C@@H](C)Sc2ccnc3cc(Cl)ccc32)[n-]1 ZINC000182986124 495786340 /nfs/dbraw/zinc/78/63/40/495786340.db2.gz XRLKGWANDOSRNX-MRVPVSSYSA-N -1 3 363.830 3.134 20 0 FGADHM COc1nc(NC(=O)[C@@H](C)Sc2ccnc3cc(Cl)ccc32)n[n-]1 ZINC000182986124 495786345 /nfs/dbraw/zinc/78/63/45/495786345.db2.gz XRLKGWANDOSRNX-MRVPVSSYSA-N -1 3 363.830 3.134 20 0 FGADHM COc1n[n-]c(NC(=O)[C@@H](C)Sc2ccnc3cc(Cl)ccc32)n1 ZINC000182986124 495786351 /nfs/dbraw/zinc/78/63/51/495786351.db2.gz XRLKGWANDOSRNX-MRVPVSSYSA-N -1 3 363.830 3.134 20 0 FGADHM O=C(Cc1ccc([O-])cc1Cl)NCCc1ccn(-c2ccc(F)cc2)n1 ZINC000154965308 495786587 /nfs/dbraw/zinc/78/65/87/495786587.db2.gz FOPCKDRNUCYVCQ-UHFFFAOYSA-N -1 3 373.815 3.272 20 0 FGADHM COc1cccc([C@H]2[C@H](NC(=O)c3cccc([O-])c3)CCN2C2CC2)c1 ZINC000183003922 495794169 /nfs/dbraw/zinc/79/41/69/495794169.db2.gz GVVDNAZKOQRLNB-UXHICEINSA-N -1 3 352.434 3.109 20 0 FGADHM CC(C)N(CCc1cn(CC(=O)[O-])nn1)Cc1ccc(Cl)c(Cl)c1 ZINC000580652128 505805923 /nfs/dbraw/zinc/80/59/23/505805923.db2.gz AJMZLBYLHIOROH-UHFFFAOYSA-N -1 3 371.268 3.123 20 0 FGADHM COC(=O)c1cc(CN(C)C(=O)c2c[n-]c3c(C)cccc3c2=O)oc1C ZINC000155065815 495822756 /nfs/dbraw/zinc/82/27/56/495822756.db2.gz DOZLLXPUKDEYBK-UHFFFAOYSA-N -1 3 368.389 3.209 20 0 FGADHM CC(=O)N1CCCc2ccc(S(=O)(=O)[N-]c3cccc(C)c3F)cc21 ZINC000180019448 495824651 /nfs/dbraw/zinc/82/46/51/495824651.db2.gz UCPDFQPVGQYZME-UHFFFAOYSA-N -1 3 362.426 3.234 20 0 FGADHM CCOC(=O)C[C@@H]([N-]S(=O)(=O)c1cc(C)oc1C)c1ccc(F)cc1 ZINC000183122687 495843866 /nfs/dbraw/zinc/84/38/66/495843866.db2.gz ATFHUQLOZJNXMD-OAHLLOKOSA-N -1 3 369.414 3.008 20 0 FGADHM Cc1cc(S(=O)(=O)[N-]c2c(F)cccc2CO)ccc1C(F)(F)F ZINC000580658910 505807265 /nfs/dbraw/zinc/80/72/65/505807265.db2.gz IZZHVCKYAGCKKG-UHFFFAOYSA-N -1 3 363.332 3.446 20 0 FGADHM O=S(=O)(C[C@@H]1CCCCO1)[N-]c1ccc(Cl)c(OC(F)F)c1 ZINC000183146205 495853915 /nfs/dbraw/zinc/85/39/15/495853915.db2.gz ZLSKUVLRDHQNNA-JTQLQIEISA-N -1 3 355.790 3.252 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N(Cc2cccs2)C2CC2)c([O-])c1 ZINC000171399078 495856315 /nfs/dbraw/zinc/85/63/15/495856315.db2.gz AKUNAGKYVFGTBI-UHFFFAOYSA-N -1 3 358.463 3.073 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H]3CCO[C@H](CC)C3)c2)n1 ZINC000183177122 495868237 /nfs/dbraw/zinc/86/82/37/495868237.db2.gz QXEWFCFXZWGUHB-RHSMWYFYSA-N -1 3 355.438 3.143 20 0 FGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H]3CCO[C@@H](CC)C3)c2)n1 ZINC000183177171 495868714 /nfs/dbraw/zinc/86/87/14/495868714.db2.gz QXEWFCFXZWGUHB-YOEHRIQHSA-N -1 3 355.438 3.143 20 0 FGADHM COc1ccc(OC)c(C(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000151532455 495869201 /nfs/dbraw/zinc/86/92/01/495869201.db2.gz CHXXYTUOLXVVCZ-UHFFFAOYSA-N -1 3 366.211 3.102 20 0 FGADHM O=C(CCOCc1ccccc1)NCc1ccc([O-])c(Br)c1 ZINC000151600290 495890232 /nfs/dbraw/zinc/89/02/32/495890232.db2.gz HOJXOZHYLKXQOP-UHFFFAOYSA-N -1 3 364.239 3.378 20 0 FGADHM Cc1c(C(=O)Nc2ccc([O-])cc2F)nnn1-c1cccc2ncccc21 ZINC000183239694 495894753 /nfs/dbraw/zinc/89/47/53/495894753.db2.gz PEEIUAPVMBRPMX-UHFFFAOYSA-N -1 3 363.352 3.221 20 0 FGADHM CC(=O)Nc1cccc(C(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000151619158 495895878 /nfs/dbraw/zinc/89/58/78/495895878.db2.gz SCMXQOZMIZVDCU-UHFFFAOYSA-N -1 3 363.211 3.043 20 0 FGADHM C[C@@H]1C[C@@H](C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)CC(C)(C)C1 ZINC000183247097 495896911 /nfs/dbraw/zinc/89/69/11/495896911.db2.gz GLPHBZLXCVTXGD-HZPDHXFCSA-N -1 3 358.482 3.139 20 0 FGADHM Cc1ccc(-c2ccc(C(=O)NCCNC(=O)c3ccc([O-])cc3)s2)o1 ZINC000183285462 495915824 /nfs/dbraw/zinc/91/58/24/495915824.db2.gz JPOGSMXTWPNDKY-UHFFFAOYSA-N -1 3 370.430 3.182 20 0 FGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H]1CCCOc2c(F)cccc21 ZINC000183313265 495926231 /nfs/dbraw/zinc/92/62/31/495926231.db2.gz CFTOBAGSKKCTHR-AWEZNQCLSA-N -1 3 373.428 3.159 20 0 FGADHM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000571772905 505812343 /nfs/dbraw/zinc/81/23/43/505812343.db2.gz XIYIVXCKQNJULV-UXOAXIEHSA-N -1 3 373.902 3.221 20 0 FGADHM CCS(=O)(=O)c1cccc(CC(=O)N2CC[C@H](C)c3cccc([O-])c32)c1 ZINC000186286532 495929218 /nfs/dbraw/zinc/92/92/18/495929218.db2.gz FCDPFZNMVGJFCV-AWEZNQCLSA-N -1 3 373.474 3.269 20 0 FGADHM Cc1cccc(F)c1S(=O)(=O)[N-][C@@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000186297702 495933542 /nfs/dbraw/zinc/93/35/42/495933542.db2.gz CSZBYIHSELILQM-LBPRGKRZSA-N -1 3 362.426 3.058 20 0 FGADHM CC(C)Sc1c(Cl)cccc1[N-]C(=O)c1coc(S(N)(=O)=O)c1 ZINC000180297170 495940806 /nfs/dbraw/zinc/94/08/06/495940806.db2.gz KBZYXAHZPIXLID-UHFFFAOYSA-N -1 3 374.871 3.333 20 0 FGADHM Cc1noc(-c2ccccc2)c1[N-]C(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000183367410 495949558 /nfs/dbraw/zinc/94/95/58/495949558.db2.gz KPYBQIJSCWVEPS-UHFFFAOYSA-N -1 3 356.403 3.306 20 0 FGADHM CC(C)(C)CNC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000183372968 495952245 /nfs/dbraw/zinc/95/22/45/495952245.db2.gz RGWJHMMRUMWBDE-SFHVURJKSA-N -1 3 354.450 3.416 20 0 FGADHM COc1ccc2c(c1)[n-]cc(C(=O)N(C)CCOCc1ccccc1)c2=O ZINC000155453675 495961019 /nfs/dbraw/zinc/96/10/19/495961019.db2.gz OYXBWHNLVGDADA-UHFFFAOYSA-N -1 3 366.417 3.238 20 0 FGADHM C[C@@H]1CN(C(=O)NCc2ccc([O-])c(F)c2)C[C@H](c2ccsc2)O1 ZINC000151852229 495969665 /nfs/dbraw/zinc/96/96/65/495969665.db2.gz HYWGOJACAPZDLT-BDJLRTHQSA-N -1 3 350.415 3.264 20 0 FGADHM C[C@H]1C[C@@H]1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2F)cc1 ZINC000155531064 495985872 /nfs/dbraw/zinc/98/58/72/495985872.db2.gz BBJSVYSOMXUCBK-HZMBPMFUSA-N -1 3 366.389 3.360 20 0 FGADHM 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CCc1nc2ccccc2n1C1CCN(C(=O)c2cccc3[n-]nnc32)CC1 ZINC000188691437 496878153 /nfs/dbraw/zinc/87/81/53/496878153.db2.gz RSDQLCHNHSFBCW-UHFFFAOYSA-N -1 3 374.448 3.347 20 0 FGADHM CCc1nc2ccccc2n1C1CCN(C(=O)c2cccc3nn[n-]c32)CC1 ZINC000188691437 496878157 /nfs/dbraw/zinc/87/81/57/496878157.db2.gz RSDQLCHNHSFBCW-UHFFFAOYSA-N -1 3 374.448 3.347 20 0 FGADHM CCc1nc2ccccc2n1C1CCN(C(=O)c2cccc3n[n-]nc32)CC1 ZINC000188691437 496878164 /nfs/dbraw/zinc/87/81/64/496878164.db2.gz RSDQLCHNHSFBCW-UHFFFAOYSA-N -1 3 374.448 3.347 20 0 FGADHM Cc1cc(-c2nc(Cc3nc(=O)c4c(C5CC5)csc4[n-]3)no2)no1 ZINC000277837842 496905128 /nfs/dbraw/zinc/90/51/28/496905128.db2.gz IQFCYLKMBMRLMZ-UHFFFAOYSA-N -1 3 355.379 3.212 20 0 FGADHM COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)c1ccc2n[n-]nc2c1 ZINC000191835215 496905366 /nfs/dbraw/zinc/90/53/66/496905366.db2.gz CFFZADYHQPHMCS-JTQLQIEISA-N -1 3 360.801 3.277 20 0 FGADHM CCc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)c([O-])c1 ZINC000188824797 496919802 /nfs/dbraw/zinc/91/98/02/496919802.db2.gz TVKSKHZWQWRQGD-INIZCTEOSA-N -1 3 352.434 3.446 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N3CCCC4(CCOCC4)C3)c[n-]c12 ZINC000269355609 496927501 /nfs/dbraw/zinc/92/75/01/496927501.db2.gz SNBQMSDPPXDJEC-UHFFFAOYSA-N -1 3 358.413 3.421 20 0 FGADHM C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)c1cccc2[n-]nnc21 ZINC000188921207 496948834 /nfs/dbraw/zinc/94/88/34/496948834.db2.gz SOWVARCRJONKTM-BDJLRTHQSA-N -1 3 356.813 3.214 20 0 FGADHM C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)c1cccc2nn[n-]c21 ZINC000188921207 496948840 /nfs/dbraw/zinc/94/88/40/496948840.db2.gz SOWVARCRJONKTM-BDJLRTHQSA-N -1 3 356.813 3.214 20 0 FGADHM C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)c1cccc2n[n-]nc21 ZINC000188921207 496948844 /nfs/dbraw/zinc/94/88/44/496948844.db2.gz SOWVARCRJONKTM-BDJLRTHQSA-N -1 3 356.813 3.214 20 0 FGADHM Cc1nncn1-c1cccc(NC(=O)c2cn[n-]c2-c2ccsc2)c1 ZINC000188939527 496953921 /nfs/dbraw/zinc/95/39/21/496953921.db2.gz UNNIHAGFILJAJV-UHFFFAOYSA-N -1 3 350.407 3.280 20 0 FGADHM Cc1nncn1-c1cccc(NC(=O)c2c[n-]nc2-c2ccsc2)c1 ZINC000188939527 496953926 /nfs/dbraw/zinc/95/39/26/496953926.db2.gz UNNIHAGFILJAJV-UHFFFAOYSA-N -1 3 350.407 3.280 20 0 FGADHM CCCN1CCC([N-]S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000198238205 496966503 /nfs/dbraw/zinc/96/65/03/496966503.db2.gz QUMOBHNEHXRUHM-UHFFFAOYSA-N -1 3 351.299 3.146 20 0 FGADHM COc1cc(C)cc(-c2nc([C@@H]3CC(=O)N(c4ccccc4)C3)no2)c1[O-] ZINC000273985116 496981727 /nfs/dbraw/zinc/98/17/27/496981727.db2.gz RWFVTQFQXHJIFI-CYBMUJFWSA-N -1 3 365.389 3.280 20 0 FGADHM CCOc1cc(-c2noc(CN3C(=O)CCc4ccccc43)n2)ccc1[O-] ZINC000278052463 496986905 /nfs/dbraw/zinc/98/69/05/496986905.db2.gz LIHRZBNJICWEPS-UHFFFAOYSA-N -1 3 365.389 3.320 20 0 FGADHM CC(C)CNC(=O)Cc1noc(-c2cc(Cc3ccccc3)ccc2[O-])n1 ZINC000278055421 496987708 /nfs/dbraw/zinc/98/77/08/496987708.db2.gz ZIUGTXGPRVDDKC-UHFFFAOYSA-N -1 3 365.433 3.348 20 0 FGADHM Cc1ccc2[nH]c3c(c2c1)C[C@H](NC(=O)c1cc(=O)[n-]c(C2CC2)n1)CC3 ZINC000580961350 505877800 /nfs/dbraw/zinc/87/78/00/505877800.db2.gz QGBCTACLYHCZNH-CYBMUJFWSA-N -1 3 362.433 3.137 20 0 FGADHM CCOc1cc(-c2noc(-c3cc4c([nH]c3=O)CCCC4=O)n2)ccc1[O-] ZINC000278088264 497000175 /nfs/dbraw/zinc/00/01/75/497000175.db2.gz OGCMOFVQCWUZPL-UHFFFAOYSA-N -1 3 367.361 3.128 20 0 FGADHM O=c1cc(CN[C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)c2ccc([O-])cc2o1 ZINC000192132746 497005218 /nfs/dbraw/zinc/00/52/18/497005218.db2.gz RRTYDRRZABVNJG-YLJYHZDGSA-N -1 3 373.355 3.397 20 0 FGADHM CC1CCN(c2ccc(-n3c([O-])c(CC(F)(F)F)[nH]c3=O)cc2)CC1 ZINC000278138103 497017489 /nfs/dbraw/zinc/01/74/89/497017489.db2.gz RRDBCSCOPMXKHU-AWEZNQCLSA-N -1 3 355.360 3.300 20 0 FGADHM CC(C)OCc1nc([C@H](C)[N-]S(=O)(=O)c2ccc(C(C)C)cc2)no1 ZINC000578178162 505879908 /nfs/dbraw/zinc/87/99/08/505879908.db2.gz DOEAOCSIWWRVCQ-ZDUSSCGKSA-N -1 3 367.471 3.158 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)c1cnc(NC(C)=O)s1)c1cccc(Cl)c1 ZINC000580969964 505880149 /nfs/dbraw/zinc/88/01/49/505880149.db2.gz UBSQSVQBMOFYBL-LBPRGKRZSA-N -1 3 373.887 3.185 20 0 FGADHM O=S(=O)([N-]Cc1ccoc1)c1ccc(Cl)c(Br)c1 ZINC000192189892 497027809 /nfs/dbraw/zinc/02/78/09/497027809.db2.gz KDRDYBQARPNNRU-UHFFFAOYSA-N -1 3 350.621 3.174 20 0 FGADHM COc1cc2c(cc1CN[C@H](Cc1ccc(C)c(C)c1)C(=O)[O-])O[C@@H](C)C2 ZINC000569215087 505880237 /nfs/dbraw/zinc/88/02/37/505880237.db2.gz BGQBPAKKANLWCA-HNAYVOBHSA-N -1 3 369.461 3.421 20 0 FGADHM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1nc(-c2ccc(F)c(F)c2)no1 ZINC000248513222 497029606 /nfs/dbraw/zinc/02/96/06/497029606.db2.gz DABZJPQEGABZKL-KMUNFCNLSA-N -1 3 363.364 3.233 20 0 FGADHM CN1c2ccc(S(=O)(=O)[N-]c3ccc(C4CCC4)cc3)cc2CC1=O ZINC000278180940 497029684 /nfs/dbraw/zinc/02/96/84/497029684.db2.gz CQXQXRFDZCNOML-UHFFFAOYSA-N -1 3 356.447 3.274 20 0 FGADHM CC(=O)Nc1ccc(NC([O-])=NO[C@H]2CCCCO2)c(C(F)(F)F)c1 ZINC000274182581 497035205 /nfs/dbraw/zinc/03/52/05/497035205.db2.gz KJBWGNUVQGZAKI-ZDUSSCGKSA-N -1 3 361.320 3.244 20 0 FGADHM CC(=O)Nc1ccc(NC(=O)[N-]O[C@H]2CCCCO2)c(C(F)(F)F)c1 ZINC000274182581 497035212 /nfs/dbraw/zinc/03/52/12/497035212.db2.gz KJBWGNUVQGZAKI-ZDUSSCGKSA-N -1 3 361.320 3.244 20 0 FGADHM Cc1ccc(NC(=O)OC(C)(C)C)cc1[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC000269986430 497037160 /nfs/dbraw/zinc/03/71/60/497037160.db2.gz FANFXKBBSWPQMI-AWEZNQCLSA-N -1 3 370.471 3.263 20 0 FGADHM CCOc1cc(-c2noc(C3(NC(=O)OC(C)(C)C)CC3)n2)ccc1[O-] ZINC000278208085 497037922 /nfs/dbraw/zinc/03/79/22/497037922.db2.gz YWXRDCAQXZFRHJ-UHFFFAOYSA-N -1 3 361.398 3.355 20 0 FGADHM CCCN(CCC)C(=O)CCCc1nc(-c2ccc([O-])c(OC)c2)no1 ZINC000265060108 497039386 /nfs/dbraw/zinc/03/93/86/497039386.db2.gz VAUQSPLOEPCEOU-UHFFFAOYSA-N -1 3 361.442 3.422 20 0 FGADHM Cc1ccc(NC([O-])=NO[C@H]2CCCCO2)c(OC[C@H]2CCCO2)c1 ZINC000274264743 497056029 /nfs/dbraw/zinc/05/60/29/497056029.db2.gz ZISBSLUHQAEQFM-PBHICJAKSA-N -1 3 350.415 3.133 20 0 FGADHM Cc1ccc(NC(=O)[N-]O[C@H]2CCCCO2)c(OC[C@H]2CCCO2)c1 ZINC000274264743 497056033 /nfs/dbraw/zinc/05/60/33/497056033.db2.gz ZISBSLUHQAEQFM-PBHICJAKSA-N -1 3 350.415 3.133 20 0 FGADHM C[C@H]1CCN(C(=O)c2ccc(N3CCOCC3)cc2)c2c([O-])cccc21 ZINC000274348653 497076569 /nfs/dbraw/zinc/07/65/69/497076569.db2.gz GYXHCJVEROBJGV-HNNXBMFYSA-N -1 3 352.434 3.383 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1)c1nc(C(F)(F)F)cs1 ZINC000278332922 497077718 /nfs/dbraw/zinc/07/77/18/497077718.db2.gz GPCGDUWOGYFMTH-ZCFIWIBFSA-N -1 3 372.340 3.480 20 0 FGADHM C[C@@H]1CC[C@@H](C(=O)[O-])CN1Cc1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC000578192242 505883318 /nfs/dbraw/zinc/88/33/18/505883318.db2.gz INOKIMBTJYOXBC-ZIAGYGMSSA-N -1 3 357.429 3.185 20 0 FGADHM CCCCc1nc(C(=O)OCC)c(NC(=O)[C@@H]2C[C@@H](C)O[C@@H](C)C2)[n-]1 ZINC000248706700 497083220 /nfs/dbraw/zinc/08/32/20/497083220.db2.gz HMLFXXJZLHOPGU-CLLJXQQHSA-N -1 3 351.447 3.071 20 0 FGADHM CCCCc1nc(NC(=O)[C@@H]2C[C@@H](C)O[C@@H](C)C2)c(C(=O)OCC)[n-]1 ZINC000248706700 497083221 /nfs/dbraw/zinc/08/32/21/497083221.db2.gz HMLFXXJZLHOPGU-CLLJXQQHSA-N -1 3 351.447 3.071 20 0 FGADHM C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1cc(F)c(F)c([O-])c1F ZINC000248732161 497091420 /nfs/dbraw/zinc/09/14/20/497091420.db2.gz DGMRNGLYDWBANH-XHDPSFHLSA-N -1 3 364.367 3.060 20 0 FGADHM CCOC(=O)c1csc([C@H]2CCCN2[C@H](C)c2nc(C)cc(=O)[n-]2)n1 ZINC000248795472 497105468 /nfs/dbraw/zinc/10/54/68/497105468.db2.gz YQQTVANIBFZNKV-DGCLKSJQSA-N -1 3 362.455 3.022 20 0 FGADHM O=C(C[C@H]1CCCCCN1C(=O)c1cc(=O)[n-]c(C2CC2)n1)c1ccco1 ZINC000569236227 505886007 /nfs/dbraw/zinc/88/60/07/505886007.db2.gz YUJHELRLJBSUQP-CQSZACIVSA-N -1 3 369.421 3.310 20 0 FGADHM CC(C)(C)OC(=O)[C@H]1CCCCN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000270442308 497130130 /nfs/dbraw/zinc/13/01/30/497130130.db2.gz LIIAQIGWZSOCEI-MRXNPFEDSA-N -1 3 356.422 3.277 20 0 FGADHM COC(CCCC(C)(C)CNC(=O)c1c[n-]c2ccccc2c1=O)OC ZINC000274706811 497148987 /nfs/dbraw/zinc/14/89/87/497148987.db2.gz RZCQEIUMNRCMKV-UHFFFAOYSA-N -1 3 360.454 3.486 20 0 FGADHM C[C@H](CC1CCCCC1)NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000192557880 497149390 /nfs/dbraw/zinc/14/93/90/497149390.db2.gz KDKZJEZTKFTGIB-CRAIPNDOSA-N -1 3 358.482 3.472 20 0 FGADHM Cc1c(Br)cccc1CC(=O)NCc1ccc([O-])c(F)c1 ZINC000189556114 497162086 /nfs/dbraw/zinc/16/20/86/497162086.db2.gz NQVHKWYYCQXWRV-UHFFFAOYSA-N -1 3 352.203 3.461 20 0 FGADHM CCN(CC)[C@H](CNC(=O)c1c[n-]c2nc(C)ccc2c1=O)c1ccco1 ZINC000578214840 505888160 /nfs/dbraw/zinc/88/81/60/505888160.db2.gz DTGDYTFVPGRPEJ-MRXNPFEDSA-N -1 3 368.437 3.050 20 0 FGADHM CCN(CC)[C@H](CNC(=O)c1cnc2nc(C)ccc2c1[O-])c1ccco1 ZINC000578214840 505888163 /nfs/dbraw/zinc/88/81/63/505888163.db2.gz DTGDYTFVPGRPEJ-MRXNPFEDSA-N -1 3 368.437 3.050 20 0 FGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)NC1[C@H](C)CCC[C@H]1C ZINC000265695430 497162913 /nfs/dbraw/zinc/16/29/13/497162913.db2.gz XGQWPDZLIVYSNC-ZIAGYGMSSA-N -1 3 368.481 3.426 20 0 FGADHM COc1cc(-c2nc(-c3cccnc3N3CCCC3)no2)cc(OC)c1[O-] ZINC000274938200 497202695 /nfs/dbraw/zinc/20/26/95/497202695.db2.gz ALDZITMHCIVNFH-UHFFFAOYSA-N -1 3 368.393 3.122 20 0 FGADHM C[C@H]([N-]C(=O)C(F)(F)c1ccccc1F)c1ccc2c(c1)CC(=O)N2C ZINC000270813288 497207390 /nfs/dbraw/zinc/20/73/90/497207390.db2.gz MHRXYFLPTXTROU-NSHDSACASA-N -1 3 362.351 3.314 20 0 FGADHM CN(C)c1ccc(S(=O)(=O)[N-]c2ccccc2[C@@H](O)C(F)(F)F)cc1 ZINC000278770865 497214744 /nfs/dbraw/zinc/21/47/44/497214744.db2.gz STZXUKVMZACOMH-OAHLLOKOSA-N -1 3 374.384 3.149 20 0 FGADHM Cc1ccc(CS(=O)(=O)[N-]Cc2ncc(-c3ccccc3)cn2)c(F)c1 ZINC000192842955 497228250 /nfs/dbraw/zinc/22/82/50/497228250.db2.gz SEHVBWZPIYMNGV-UHFFFAOYSA-N -1 3 371.437 3.211 20 0 FGADHM Cc1cc(CN(C)Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)no1 ZINC000192855129 497229924 /nfs/dbraw/zinc/22/99/24/497229924.db2.gz WONVTDHZADHXBT-UHFFFAOYSA-N -1 3 356.407 3.173 20 0 FGADHM Cc1ccc(NC(=O)Nc2cccc3c2CCN([C@@H](C)C(=O)[O-])C3)cc1 ZINC000237476758 497242460 /nfs/dbraw/zinc/24/24/60/497242460.db2.gz LGLNAWPTIFYPIM-AWEZNQCLSA-N -1 3 353.422 3.470 20 0 FGADHM O=C(CCOCC(F)(F)C(F)F)Nc1cc(Br)ccc1[O-] ZINC000189799457 497248656 /nfs/dbraw/zinc/24/86/56/497248656.db2.gz WPMOJHTYDOWHNC-UHFFFAOYSA-N -1 3 374.128 3.400 20 0 FGADHM COc1ccc(Br)c(NC([O-])=NOCCC(F)(F)F)c1 ZINC000275173963 497248963 /nfs/dbraw/zinc/24/89/63/497248963.db2.gz DXEKIYPIAMAXRE-UHFFFAOYSA-N -1 3 357.126 3.463 20 0 FGADHM COc1ccc(Br)c(NC(=O)[N-]OCCC(F)(F)F)c1 ZINC000275173963 497248969 /nfs/dbraw/zinc/24/89/69/497248969.db2.gz DXEKIYPIAMAXRE-UHFFFAOYSA-N -1 3 357.126 3.463 20 0 FGADHM Cc1csc([C@@H](C)[N-]S(=O)(=O)c2ccc3c(c2)C(=O)CCC3)n1 ZINC000569277530 505894921 /nfs/dbraw/zinc/89/49/21/505894921.db2.gz WGYKLVNDTUNTJP-LLVKDONJSA-N -1 3 350.465 3.010 20 0 FGADHM CC(C)c1cnc(NC(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)s1 ZINC000266148276 497267540 /nfs/dbraw/zinc/26/75/40/497267540.db2.gz MXDQJUFDODMYHP-UHFFFAOYSA-N -1 3 357.432 3.029 20 0 FGADHM O=C([N-][C@H]1CCO[C@@H]1c1cccnc1)C(F)(F)c1c(F)cccc1F ZINC000275299036 497278862 /nfs/dbraw/zinc/27/88/62/497278862.db2.gz BLMQPWQHSWRSGY-DZGCQCFKSA-N -1 3 354.303 3.098 20 0 FGADHM CC(C)OC(=O)[C@@H](C)CNC(=O)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000189921549 497293796 /nfs/dbraw/zinc/29/37/96/497293796.db2.gz 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/nfs/dbraw/zinc/92/76/57/497927657.db2.gz IDVZPWUNUBXZMY-CYBMUJFWSA-N -1 3 354.454 3.421 20 0 FGADHM O=C(c1ccccc1[O-])N1CCN(c2ncnc3c4ccccc4oc32)CC1 ZINC000301104641 497953499 /nfs/dbraw/zinc/95/34/99/497953499.db2.gz VGRAYXZWVBFBSD-UHFFFAOYSA-N -1 3 374.400 3.044 20 0 FGADHM Cc1nc(-c2ccc(N3C(=O)N[C@@H](c4ccsc4)C3=O)cc2)cc(=O)[n-]1 ZINC000349265788 497971286 /nfs/dbraw/zinc/97/12/86/497971286.db2.gz CALBNKVKIDIDPZ-INIZCTEOSA-N -1 3 366.402 3.017 20 0 FGADHM Cc1nc(-c2ccc(N3C(=O)N[C@@H](CCC(C)(C)C)C3=O)cc2)cc(=O)[n-]1 ZINC000349278251 497973617 /nfs/dbraw/zinc/97/36/17/497973617.db2.gz OJILZNGWAGCHJI-HNNXBMFYSA-N -1 3 368.437 3.409 20 0 FGADHM CO[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2OCC2CCC2)C1 ZINC000329979686 497978888 /nfs/dbraw/zinc/97/88/88/497978888.db2.gz KBPWDHYCUWDXGW-HUUCEWRRSA-N -1 3 373.902 3.365 20 0 FGADHM Cc1nnc([N-]C(=O)c2c(F)ccc(Br)c2F)n1C1CC1 ZINC000285068668 497985377 /nfs/dbraw/zinc/98/53/77/497985377.db2.gz DLFJWAITPLWUEK-UHFFFAOYSA-N -1 3 357.158 3.214 20 0 FGADHM O=S(=O)([N-][C@@H]1CCO[C@@H](c2cccnc2)C1)c1cccc(Cl)c1F ZINC000296296250 497988899 /nfs/dbraw/zinc/98/88/99/497988899.db2.gz ZMOHWNZXYYQYAG-TZMCWYRMSA-N -1 3 370.833 3.073 20 0 FGADHM O=S(=O)(C[C@H]1CCCC1(F)F)[N-]Cc1c(F)cc(F)c(F)c1F ZINC000296317792 497996561 /nfs/dbraw/zinc/99/65/61/497996561.db2.gz QCDUIKNHHZBNFW-SSDOTTSWSA-N -1 3 361.307 3.098 20 0 FGADHM CC[C@@H](Cc1ccc(Cl)cc1Cl)[N-]S(=O)(=O)c1ccn(C)n1 ZINC000578527127 505961597 /nfs/dbraw/zinc/96/15/97/505961597.db2.gz ZVUBRNXZQINGEC-LBPRGKRZSA-N -1 3 362.282 3.027 20 0 FGADHM Cc1nc(C)c(Cc2nc(COc3ccc(Cl)c(F)c3)no2)c(=O)[n-]1 ZINC000349708697 498003789 /nfs/dbraw/zinc/00/37/89/498003789.db2.gz CTOISLGTSLNERR-UHFFFAOYSA-N -1 3 364.764 3.144 20 0 FGADHM Cc1ccc(-c2ccnn2C)cc1NC(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000281086678 498014937 /nfs/dbraw/zinc/01/49/37/498014937.db2.gz ONOVKFFQYYIAPZ-UHFFFAOYSA-N -1 3 365.437 3.079 20 0 FGADHM CCc1ccc(-c2nc(CC(=O)NCc3ccc(C)cc3)no2)c([O-])c1 ZINC000289099081 498016495 /nfs/dbraw/zinc/01/64/95/498016495.db2.gz OOIWPVHZPWQKTR-UHFFFAOYSA-N -1 3 351.406 3.172 20 0 FGADHM C[C@H](OCc1ccccc1)c1nc(-c2ccc([N-]S(C)(=O)=O)cc2)no1 ZINC000349930967 498024287 /nfs/dbraw/zinc/02/42/87/498024287.db2.gz VFHRJOBNMFHXGQ-ZDUSSCGKSA-N -1 3 373.434 3.386 20 0 FGADHM c1cn(Cc2cccc(-c3noc(-c4n[n-]nc4-c4ccccc4)n3)c2)cn1 ZINC000349983041 498028916 /nfs/dbraw/zinc/02/89/16/498028916.db2.gz SZKGGRCJFNBPTP-UHFFFAOYSA-N -1 3 369.388 3.434 20 0 FGADHM C[C@H]1C[C@H](c2nc(Cc3nc(=O)c4c(C5CC5)csc4[n-]3)no2)CO1 ZINC000349984661 498029392 /nfs/dbraw/zinc/02/93/92/498029392.db2.gz YNDBAIKWLMSOKD-WPRPVWTQSA-N -1 3 358.423 3.141 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H](C)C(=O)N3CCCC[C@@H]3C)nc2)n1 ZINC000301272306 498032765 /nfs/dbraw/zinc/03/27/65/498032765.db2.gz JZNNQLSURRUJAD-UONOGXRCSA-N -1 3 369.469 3.008 20 0 FGADHM CCC(CC)c1nnc([N-]C(=O)c2nn(C)cc2Br)s1 ZINC000292495602 498037383 /nfs/dbraw/zinc/03/73/83/498037383.db2.gz APVKPICJKCWGDU-UHFFFAOYSA-N -1 3 358.265 3.190 20 0 FGADHM FC(F)COc1ccc(-c2noc(-c3n[n-]nc3-c3ccccc3)n2)cn1 ZINC000575365520 505968513 /nfs/dbraw/zinc/96/85/13/505968513.db2.gz BYPUHFKKROXWNN-UHFFFAOYSA-N -1 3 370.319 3.228 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@](C)(O)c3ccccc3)nc2)n1 ZINC000301301614 498048036 /nfs/dbraw/zinc/04/80/36/498048036.db2.gz VMQSUDOCAXDVIQ-FQEVSTJZSA-N -1 3 350.422 3.126 20 0 FGADHM O=C([O-])c1cn([C@H]2CCCN(C(c3ccccc3)c3ccccc3)C2)nn1 ZINC000581316114 505958890 /nfs/dbraw/zinc/95/88/90/505958890.db2.gz HRSRCROBVLVIHJ-SFHVURJKSA-N -1 3 362.433 3.403 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@@](C)(O)c3ccsc3)nc2)n1 ZINC000301325597 498057195 /nfs/dbraw/zinc/05/71/95/498057195.db2.gz AQWAAADABQANAB-GOSISDBHSA-N -1 3 356.451 3.188 20 0 FGADHM COc1cc(CNc2cc3n(n2)CCCC3)cc(Br)c1[O-] ZINC000285351967 498059604 /nfs/dbraw/zinc/05/96/04/498059604.db2.gz AVIBDCIWSWNNSK-UHFFFAOYSA-N -1 3 352.232 3.308 20 0 FGADHM O=C([N-]CC1CCN(Cc2cc(-c3ccccc3)no2)CC1)C(F)(F)F ZINC000281228840 498064742 /nfs/dbraw/zinc/06/47/42/498064742.db2.gz FGNWAEIFZIGRHY-UHFFFAOYSA-N -1 3 367.371 3.232 20 0 FGADHM CCc1nnc(C[N-]S(=O)(=O)c2cccc(-c3ccccc3)c2)s1 ZINC000572492247 505981653 /nfs/dbraw/zinc/98/16/53/505981653.db2.gz WGCFUVDGVHFKMX-UHFFFAOYSA-N -1 3 359.476 3.246 20 0 FGADHM COC(=O)[C@H]1CC[C@H](C(=O)Nc2cc(Br)ccc2[O-])CC1 ZINC000281376540 498125841 /nfs/dbraw/zinc/12/58/41/498125841.db2.gz UFKDWMPUIJXPAR-MGCOHNPYSA-N -1 3 356.216 3.073 20 0 FGADHM CCOc1cc(-c2noc([C@H]3CC(=O)N(C4CCCC4)C3)n2)ccc1[O-] ZINC000350790229 498136375 /nfs/dbraw/zinc/13/63/75/498136375.db2.gz DSELMVMYFVCHKD-ZDUSSCGKSA-N -1 3 357.410 3.099 20 0 FGADHM CC(C)[C@H](C)NC(=O)C1CCN(C(=O)c2cc([O-])ccc2Cl)CC1 ZINC000330476191 498139395 /nfs/dbraw/zinc/13/93/95/498139395.db2.gz KAFIOWIWKUWBKL-LBPRGKRZSA-N -1 3 352.862 3.059 20 0 FGADHM CCN(CC)c1nc2sc(C(=O)[N-]c3nncn3C3CC3)cc2s1 ZINC000285646658 498157120 /nfs/dbraw/zinc/15/71/20/498157120.db2.gz DMYALDARPDRQLO-UHFFFAOYSA-N -1 3 362.484 3.383 20 0 FGADHM COCC1(CC[N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)F)CC1 ZINC000578646160 505988525 /nfs/dbraw/zinc/98/85/25/505988525.db2.gz PLIQLMGUGYSPNT-UHFFFAOYSA-N -1 3 369.817 3.036 20 0 FGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H]1COc2c1cccc2Cl ZINC000364826619 498161067 /nfs/dbraw/zinc/16/10/67/498161067.db2.gz LOQYHDSFHCYIMX-LBPRGKRZSA-N -1 3 361.829 3.305 20 0 FGADHM CC(C)[C@H]1C[C@@H]([N-]S(=O)(=O)c2cccc(Cl)c2Cl)CCO1 ZINC000330628181 498163244 /nfs/dbraw/zinc/16/32/44/498163244.db2.gz LFCQPNQPGORQQI-CMPLNLGQSA-N -1 3 352.283 3.475 20 0 FGADHM O=c1cc(CN[C@H](c2ccccc2)C2(CO)CCC2)c2ccc([O-])cc2o1 ZINC000292855480 498172908 /nfs/dbraw/zinc/17/29/08/498172908.db2.gz VXLKZUWOHUHFFC-OAQYLSRUSA-N -1 3 365.429 3.492 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H]3CCC[C@@H]([S@@](=O)CC)C3)nc2)n1 ZINC000301582858 498173867 /nfs/dbraw/zinc/17/38/67/498173867.db2.gz VFMZIGMNRDKYRY-FBJHADKPSA-N -1 3 374.510 3.298 20 0 FGADHM C[C@@H]1CN(c2c(C(=O)[O-])cnc3ccccc32)CCN1CC(F)(F)F ZINC000575753368 505996632 /nfs/dbraw/zinc/99/66/32/505996632.db2.gz YTGBPKMPTYLBHT-LLVKDONJSA-N -1 3 353.344 3.006 20 0 FGADHM Cc1ccc(S(=O)(=O)[N-]C2(C(F)(F)F)CCOCC2)cc1Cl ZINC000330868209 498208991 /nfs/dbraw/zinc/20/89/91/498208991.db2.gz PJDBUVLQIBDOQT-UHFFFAOYSA-N -1 3 357.781 3.038 20 0 FGADHM O=C([O-])CCN(Cc1ccc(OCc2ccccn2)cc1)C[C@H]1CCCO1 ZINC000575755690 505997186 /nfs/dbraw/zinc/99/71/86/505997186.db2.gz WFTNMGDYEQPTMW-HXUWFJFHSA-N -1 3 370.449 3.116 20 0 FGADHM CCc1nc(C(C)C)ccc1CN1CCC(n2cc(C(=O)[O-])cn2)CC1 ZINC000575755829 505997261 /nfs/dbraw/zinc/99/72/61/505997261.db2.gz GOVUSRNIUYKJKD-UHFFFAOYSA-N -1 3 356.470 3.499 20 0 FGADHM CCOc1ccc(-n2c([O-])c(CC(F)(F)F)[nH]c2=O)c(C(F)(F)F)c1 ZINC000285838896 498214839 /nfs/dbraw/zinc/21/48/39/498214839.db2.gz CWEVLDJDKAYPNU-VIFPVBQESA-N -1 3 370.249 3.481 20 0 FGADHM Cc1ccc([C@@H](CNC(=O)c2cc([O-])ccc2Cl)N2CCOCC2)cc1 ZINC000289619587 498219498 /nfs/dbraw/zinc/21/94/98/498219498.db2.gz OSRZKOXPYANZMQ-LJQANCHMSA-N -1 3 374.868 3.157 20 0 FGADHM Cc1cnn([C@@H]2CCCc3ccccc32)c1NC(=O)Cc1cncc([O-])c1 ZINC000569708149 505999050 /nfs/dbraw/zinc/99/90/50/505999050.db2.gz PTVVEPBKACUATG-LJQANCHMSA-N -1 3 362.433 3.399 20 0 FGADHM COc1cc(S(=O)(=O)[N-]C[C@H]2CCCC[C@H]2C(F)(F)F)ccc1F ZINC000330941422 498221252 /nfs/dbraw/zinc/22/12/52/498221252.db2.gz CIMJTBCLIXMBTF-ZYHUDNBSSA-N -1 3 369.380 3.481 20 0 FGADHM CC(C)(CO)ON=C([O-])Nc1cc(Br)cc(C(F)(F)F)c1 ZINC000296861556 498227866 /nfs/dbraw/zinc/22/78/66/498227866.db2.gz LKXMWPHOCMREHQ-UHFFFAOYSA-N -1 3 371.153 3.292 20 0 FGADHM CC(C)(CO)O[N-]C(=O)Nc1cc(Br)cc(C(F)(F)F)c1 ZINC000296861556 498227871 /nfs/dbraw/zinc/22/78/71/498227871.db2.gz LKXMWPHOCMREHQ-UHFFFAOYSA-N -1 3 371.153 3.292 20 0 FGADHM O=C([N-]c1ncn(-c2cccnc2)n1)c1cc(F)c(Cl)cc1Cl ZINC000364966506 498232578 /nfs/dbraw/zinc/23/25/78/498232578.db2.gz BOYJPJMULSXHQG-UHFFFAOYSA-N -1 3 352.156 3.361 20 0 FGADHM C[C@@H](NC(=O)/C=C/c1cncc([O-])c1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000364980746 498238968 /nfs/dbraw/zinc/23/89/68/498238968.db2.gz LWJPWKGLGXVKKF-HVUAZKLTSA-N -1 3 370.796 3.381 20 0 FGADHM COc1cc(C(=O)Nc2cnn(CC(C)C)c2C2CC2)cc(OC)c1[O-] ZINC000569731039 506003127 /nfs/dbraw/zinc/00/31/27/506003127.db2.gz XLWLOVSEFXZSSH-UHFFFAOYSA-N -1 3 359.426 3.392 20 0 FGADHM Cc1ccc(-n2c([O-])c(CC(F)(F)F)[nH]c2=O)c(Br)c1 ZINC000285971285 498256442 /nfs/dbraw/zinc/25/64/42/498256442.db2.gz MGFVPYRBEABMGB-MRVPVSSYSA-N -1 3 351.122 3.135 20 0 FGADHM Cc1cc(=O)[n-]c([C@@H](C)N(C)CC(=O)Nc2c(Cl)cccc2Cl)n1 ZINC000581528652 506007882 /nfs/dbraw/zinc/00/78/82/506007882.db2.gz ZNIZPKYIEGVSMC-SNVBAGLBSA-N -1 3 369.252 3.429 20 0 FGADHM CC(C)[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)CCO1 ZINC000331199677 498272804 /nfs/dbraw/zinc/27/28/04/498272804.db2.gz ULXMFHODMRMLFI-WCQYABFASA-N -1 3 352.283 3.475 20 0 FGADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)Nc1ccc(F)cc1F ZINC000365061524 498278215 /nfs/dbraw/zinc/27/82/15/498278215.db2.gz BLDWCFHUKKUXQF-UHFFFAOYSA-N -1 3 370.359 3.402 20 0 FGADHM C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000331228016 498279897 /nfs/dbraw/zinc/27/98/97/498279897.db2.gz GEHPNBXDXFYSCW-RDTXWAMCSA-N -1 3 358.463 3.076 20 0 FGADHM CN1CCC[C@H](CNC(=O)c2cccc(C(=O)[O-])c2)[C@@H]1c1cccs1 ZINC000578748955 506012008 /nfs/dbraw/zinc/01/20/08/506012008.db2.gz KCKIMZQKSQEWQA-NVXWUHKLSA-N -1 3 358.463 3.259 20 0 FGADHM Cc1c(-c2ccncc2)[n-][nH]c1=NC(=O)c1cc2ccc(F)cc2nc1C ZINC000365110487 498300686 /nfs/dbraw/zinc/30/06/86/498300686.db2.gz QWCJODTYQDLDSZ-UHFFFAOYSA-N -1 3 361.380 3.450 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N3CCCC[C@H]3c3ccnn3C)c[n-]c12 ZINC000281880480 498302228 /nfs/dbraw/zinc/30/22/28/498302228.db2.gz CXNYJWGSIMNULC-KRWDZBQOSA-N -1 3 368.412 3.489 20 0 FGADHM CCOc1cc(-c2noc(-c3ccnn3CC(F)(F)F)n2)ccc1[O-] ZINC000297053739 498304151 /nfs/dbraw/zinc/30/41/51/498304151.db2.gz VSNGVAUKVKOFRG-UHFFFAOYSA-N -1 3 354.288 3.267 20 0 FGADHM CCOc1cc(CN2CCC[C@@H]2C[C@@H](C)O)cc(Br)c1[O-] ZINC000331357293 498308208 /nfs/dbraw/zinc/30/82/08/498308208.db2.gz SYUXJEYSXQDDNQ-DGCLKSJQSA-N -1 3 358.276 3.289 20 0 FGADHM CCOc1ccc(-c2nc(-c3ccc4n[n-]nc4c3)no2)cc1OCC ZINC000569780523 506013950 /nfs/dbraw/zinc/01/39/50/506013950.db2.gz DZJHBRFNJDNQQO-UHFFFAOYSA-N -1 3 351.366 3.472 20 0 FGADHM CO[C@@H]1CCN(C(=O)NCc2ccc([O-])c(Br)c2)CC1(C)C ZINC000297176463 498345557 /nfs/dbraw/zinc/34/55/57/498345557.db2.gz FIPXQBYEUYJDDV-CQSZACIVSA-N -1 3 371.275 3.111 20 0 FGADHM Cc1ccc(NC(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)cc1C ZINC000289903553 498345844 /nfs/dbraw/zinc/34/58/44/498345844.db2.gz NPPZVIMWIVECNG-ZDUSSCGKSA-N -1 3 357.376 3.226 20 0 FGADHM Cc1ccc(CCC(=O)Nc2ccc(F)c([N-]S(C)(=O)=O)c2)s1 ZINC000290000544 498389040 /nfs/dbraw/zinc/38/90/40/498389040.db2.gz ZASLDZAEVVIGTN-UHFFFAOYSA-N -1 3 356.444 3.138 20 0 FGADHM O=S(=O)([N-][C@@H](C1CC1)C(F)(F)F)c1ccc(OC(F)F)c(F)c1 ZINC000572676664 506027352 /nfs/dbraw/zinc/02/73/52/506027352.db2.gz GBIZDAYEKBXEKF-JTQLQIEISA-N -1 3 363.279 3.046 20 0 FGADHM C[C@@H]1CCN(C(=O)N=c2cc(OC(F)F)n(C)[n-]2)[C@@H](c2ccco2)C1 ZINC000331646976 498406014 /nfs/dbraw/zinc/40/60/14/498406014.db2.gz QGWPNJRJQKYHHY-GHMZBOCLSA-N -1 3 354.357 3.042 20 0 FGADHM CCOc1cc(CN[C@@H](CO)c2ccccc2)cc(Br)c1[O-] ZINC000297341103 498412610 /nfs/dbraw/zinc/41/26/10/498412610.db2.gz DNLYWKCLVAXRCD-HNNXBMFYSA-N -1 3 366.255 3.377 20 0 FGADHM C[C@@H](Sc1n[n-]c(COc2ccc(Cl)cc2)n1)c1nncn1C ZINC000286503548 498419190 /nfs/dbraw/zinc/41/91/90/498419190.db2.gz IUNJLBHWYSWRRS-SECBINFHSA-N -1 3 350.835 3.019 20 0 FGADHM Cc1noc(C)c1S(=O)(=O)[N-][C@H]1CCc2cc(Br)ccc21 ZINC000331745226 498439825 /nfs/dbraw/zinc/43/98/25/498439825.db2.gz YIMLQHZCLLWTAD-ZDUSSCGKSA-N -1 3 371.256 3.020 20 0 FGADHM CC1(C)CN(C(=O)c2c[n-]c3ccccc3c2=O)C[C@H](C(F)(F)F)O1 ZINC000293765204 498481383 /nfs/dbraw/zinc/48/13/83/498481383.db2.gz QKWSILURBGATCE-CYBMUJFWSA-N -1 3 354.328 3.122 20 0 FGADHM Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)Nc3nc(C)ccc3[O-])C2)c1 ZINC000331868123 498481615 /nfs/dbraw/zinc/48/16/15/498481615.db2.gz ZACBZBPGQWHLBB-MRXNPFEDSA-N -1 3 367.449 3.203 20 0 FGADHM C[C@@H]1Oc2cc(F)ccc2[C@H]1[N-]S(=O)(=O)Cc1ccc(F)cc1F ZINC000572747658 506042601 /nfs/dbraw/zinc/04/26/01/506042601.db2.gz YZSAWOBRVSQALF-FVMDXXJSSA-N -1 3 357.353 3.046 20 0 FGADHM COc1cccc2c(C(=O)Nc3ncc(C4(O)CCCCC4)s3)[n-]nc21 ZINC000290305585 498501705 /nfs/dbraw/zinc/50/17/05/498501705.db2.gz BRVSOYFXHAINGE-UHFFFAOYSA-N -1 3 372.450 3.432 20 0 FGADHM COc1cccc2c(C(=O)Nc3ncc(C4(O)CCCCC4)s3)n[n-]c21 ZINC000290305585 498501712 /nfs/dbraw/zinc/50/17/12/498501712.db2.gz BRVSOYFXHAINGE-UHFFFAOYSA-N -1 3 372.450 3.432 20 0 FGADHM O=C(N[C@H]1CCO[C@@]2(CCOC2)C1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000362362175 498503350 /nfs/dbraw/zinc/50/33/50/498503350.db2.gz TYCCOIRTALPDCT-BTYIYWSLSA-N -1 3 369.417 3.252 20 0 FGADHM COc1cc(C(=O)NC[C@H]2[C@@H]3c4ccccc4CC[C@H]23)cc(OC)c1[O-] ZINC000362407780 498511908 /nfs/dbraw/zinc/51/19/08/498511908.db2.gz NDWGXOJIXNYKRI-GPMSIDNRSA-N -1 3 353.418 3.115 20 0 FGADHM CCCc1nc(=NC(=O)NC2CCN([C@@H](C)c3ccccc3)CC2)s[n-]1 ZINC000581695460 506046176 /nfs/dbraw/zinc/04/61/76/506046176.db2.gz KMJMMLWERDJXPY-AWEZNQCLSA-N -1 3 373.526 3.260 20 0 FGADHM O=S(=O)([N-]CCc1cn2c(n1)CCCC2)c1ccc(Cl)cc1Cl ZINC000331977903 498520925 /nfs/dbraw/zinc/52/09/25/498520925.db2.gz SIAVKJVQAALEPD-UHFFFAOYSA-N -1 3 374.293 3.047 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N3CCOC[C@H](C4CCC4)C3)c[n-]c12 ZINC000293904962 498529422 /nfs/dbraw/zinc/52/94/22/498529422.db2.gz NYDQOHGEBFJJRL-CQSZACIVSA-N -1 3 358.413 3.277 20 0 FGADHM COCCCO[N-]C(=O)Nc1cccc(C(=O)Nc2ccccc2)c1C ZINC000286903951 498547360 /nfs/dbraw/zinc/54/73/60/498547360.db2.gz GDODVJLDPVXOTP-UHFFFAOYSA-N -1 3 357.410 3.337 20 0 FGADHM COCc1cc([N-]C(=O)c2scnc2C(F)(F)F)cc(C(=O)OC)c1 ZINC000297719760 498547667 /nfs/dbraw/zinc/54/76/67/498547667.db2.gz FSJNMBBRUSTUJE-UHFFFAOYSA-N -1 3 374.340 3.347 20 0 FGADHM CC(C)(C)c1cc(CS(=O)(=O)[N-]c2ccc3c(c2)OC(F)(F)O3)no1 ZINC000332087580 498556750 /nfs/dbraw/zinc/55/67/50/498556750.db2.gz ILJZUXNBNFDTFC-UHFFFAOYSA-N -1 3 374.365 3.236 20 0 FGADHM C[C@H](CCC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1)c1ccccc1 ZINC000290474954 498566423 /nfs/dbraw/zinc/56/64/23/498566423.db2.gz WJOOAAUQIIZWHG-CABCVRRESA-N -1 3 370.415 3.487 20 0 FGADHM CC(C)c1nnc2n1CCN(C(=O)CCCc1ccc([O-])c(F)c1)[C@H]2C ZINC000332137992 498575574 /nfs/dbraw/zinc/57/55/74/498575574.db2.gz JYDFGFNEWUATHW-ZDUSSCGKSA-N -1 3 360.433 3.172 20 0 FGADHM CC(C)c1nccn1C[C@@H]1CCCN1C(=O)NCc1ccc([O-])c(F)c1 ZINC000362915447 498579020 /nfs/dbraw/zinc/57/90/20/498579020.db2.gz CNNZPGJOEZHGAG-HNNXBMFYSA-N -1 3 360.433 3.225 20 0 FGADHM CCOCCOCc1cccc(NC(=O)c2cc(F)cc3[n-]nnc32)c1C ZINC000282613877 498581302 /nfs/dbraw/zinc/58/13/02/498581302.db2.gz XHPSFXNXQXULPA-UHFFFAOYSA-N -1 3 372.400 3.211 20 0 FGADHM CCOCCOCc1cccc(NC(=O)c2cc(F)cc3nn[n-]c32)c1C ZINC000282613877 498581309 /nfs/dbraw/zinc/58/13/09/498581309.db2.gz XHPSFXNXQXULPA-UHFFFAOYSA-N -1 3 372.400 3.211 20 0 FGADHM CCOCCOCc1cccc(NC(=O)c2cc(F)cc3n[n-]nc32)c1C ZINC000282613877 498581316 /nfs/dbraw/zinc/58/13/16/498581316.db2.gz XHPSFXNXQXULPA-UHFFFAOYSA-N -1 3 372.400 3.211 20 0 FGADHM COc1cccc(C(=O)NCCOc2cccc(C(F)(F)F)c2)c1[O-] ZINC000302937046 498631559 /nfs/dbraw/zinc/63/15/59/498631559.db2.gz JRIRCEVRMZVWOM-UHFFFAOYSA-N -1 3 355.312 3.228 20 0 FGADHM O=c1cc(CSc2nnc(Cc3ccccc3F)o2)nc(C2CC2)[n-]1 ZINC000581772647 506065307 /nfs/dbraw/zinc/06/53/07/506065307.db2.gz JXCUXOIMYHRKFA-UHFFFAOYSA-N -1 3 358.398 3.465 20 0 FGADHM O=C(Nc1n[n-]c(-c2cc(Cl)ccc2Cl)n1)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC000578975662 506065541 /nfs/dbraw/zinc/06/55/41/506065541.db2.gz YXPRYBMDYZXDBT-FXBDTBDDSA-N -1 3 365.220 3.332 20 0 FGADHM Cc1c([N-]S(=O)(=O)Cc2ccccc2Cl)n[nH]c1-c1ccncc1 ZINC000365799042 498645895 /nfs/dbraw/zinc/64/58/95/498645895.db2.gz WNKCPAMEUNIAPW-UHFFFAOYSA-N -1 3 362.842 3.375 20 0 FGADHM CCN(CC)C(=O)CCCNC(=O)CCc1ccc2ccccc2c1[O-] ZINC000294298462 498649019 /nfs/dbraw/zinc/64/90/19/498649019.db2.gz BZGPOYFEDBQJHW-UHFFFAOYSA-N -1 3 356.466 3.243 20 0 FGADHM CCOc1cc(C(=O)N2CC[C@@]3(C2)CCCN(C)C3)cc(Cl)c1[O-] ZINC000294316340 498654201 /nfs/dbraw/zinc/65/42/01/498654201.db2.gz WRFPNLHMWCEOEO-SFHVURJKSA-N -1 3 352.862 3.002 20 0 FGADHM COc1ccc2c(c1)[n-]cc(C(=O)N1CCC[C@H](c3cc(C)n[nH]3)C1)c2=O ZINC000282802903 498661601 /nfs/dbraw/zinc/66/16/01/498661601.db2.gz NINTXHMCPGGGHT-ZDUSSCGKSA-N -1 3 366.421 3.000 20 0 FGADHM O=S(=O)([N-]C1(C(F)(F)F)CCOCC1)c1cccc2ccccc21 ZINC000332377018 498668279 /nfs/dbraw/zinc/66/82/79/498668279.db2.gz RUZRWVULYKCQFM-UHFFFAOYSA-N -1 3 359.369 3.230 20 0 FGADHM C[C@H]1CCc2ccccc2[C@H]1NC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000332404559 498678984 /nfs/dbraw/zinc/67/89/84/498678984.db2.gz ZGLOREWIYAXKCU-UGSOOPFHSA-N -1 3 358.463 3.112 20 0 FGADHM CCOc1cc(CN[C@H](CC(F)(F)F)C(=O)OC)cc(Cl)c1[O-] ZINC000298204436 498693746 /nfs/dbraw/zinc/69/37/46/498693746.db2.gz YHHGTIZSIMQFDN-SNVBAGLBSA-N -1 3 355.740 3.028 20 0 FGADHM CC[C@H](NC(=O)NCc1ccc([O-])c(F)c1)c1ccc(OC)c(OC)c1 ZINC000287266311 498694560 /nfs/dbraw/zinc/69/45/60/498694560.db2.gz BFNJVJPFNSYTRG-HNNXBMFYSA-N -1 3 362.401 3.499 20 0 FGADHM COCCCO[N-]C(=O)Nc1ccc(OC(F)F)c(C(F)(F)F)c1 ZINC000287288854 498703723 /nfs/dbraw/zinc/70/37/23/498703723.db2.gz UMWIOBDLGACOLV-UHFFFAOYSA-N -1 3 358.263 3.396 20 0 FGADHM CCOc1cc(CNC(C)(C)c2noc(C)n2)cc(Br)c1[O-] ZINC000298244069 498707150 /nfs/dbraw/zinc/70/71/50/498707150.db2.gz CQCSULLXKWAXKA-UHFFFAOYSA-N -1 3 370.247 3.270 20 0 FGADHM Cc1ccc2[n-]cc(C(=O)N3CC[C@@H](C)[C@@H](n4ccnc4)C3)c(=O)c2c1 ZINC000287307453 498709454 /nfs/dbraw/zinc/70/94/54/498709454.db2.gz LRHSSBZDWRFJNT-KDOFPFPSSA-N -1 3 350.422 3.169 20 0 FGADHM NC(=O)c1ccc(NCc2c(F)ccc([O-])c2F)cc1N1CCCCC1 ZINC000290881990 498711966 /nfs/dbraw/zinc/71/19/66/498711966.db2.gz BXVRQIUFMYICPL-UHFFFAOYSA-N -1 3 361.392 3.372 20 0 FGADHM O=C(NCCCCn1cc(Br)cn1)c1cc([O-])ccc1Cl ZINC000290906905 498719235 /nfs/dbraw/zinc/71/92/35/498719235.db2.gz OSVSUDIQXXCSPQ-UHFFFAOYSA-N -1 3 372.650 3.215 20 0 FGADHM Cc1ccc(CC[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])o1 ZINC000363281222 498743595 /nfs/dbraw/zinc/74/35/95/498743595.db2.gz XEFFDXPQHWSNHW-KSSFIOAISA-N -1 3 370.449 3.036 20 0 FGADHM COC(=O)c1c(C)csc1[N-]C(=O)C(=O)N(C)[C@@H](C)c1ccc(C)cc1 ZINC000287445186 498758777 /nfs/dbraw/zinc/75/87/77/498758777.db2.gz MCTZNWGIMCQCIK-ZDUSSCGKSA-N -1 3 374.462 3.310 20 0 FGADHM Cn1nc([C@H]2CCCOC2)cc1NC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000332674030 498759355 /nfs/dbraw/zinc/75/93/55/498759355.db2.gz NPXCDTAJAFPGBI-JTQLQIEISA-N -1 3 369.343 3.291 20 0 FGADHM Cc1ccc([C@H]2OCCC[C@H]2NC(=O)c2cc(F)cc3nn[n-]c32)cc1 ZINC000332685081 498763377 /nfs/dbraw/zinc/76/33/77/498763377.db2.gz MBAPAEUIKIFRKW-CRAIPNDOSA-N -1 3 354.385 3.056 20 0 FGADHM Cc1ccc([C@H]2OCCC[C@H]2NC(=O)c2cc(F)cc3[n-]nnc32)cc1 ZINC000332685081 498763381 /nfs/dbraw/zinc/76/33/81/498763381.db2.gz MBAPAEUIKIFRKW-CRAIPNDOSA-N -1 3 354.385 3.056 20 0 FGADHM Cc1ccc([C@H]2OCCC[C@H]2NC(=O)c2cc(F)cc3n[n-]nc32)cc1 ZINC000332685081 498763388 /nfs/dbraw/zinc/76/33/88/498763388.db2.gz MBAPAEUIKIFRKW-CRAIPNDOSA-N -1 3 354.385 3.056 20 0 FGADHM CCCc1nc([C@H](N[C@H](C)c2nc(C)cc(=O)[n-]2)c2ccccc2)no1 ZINC000366080369 498765136 /nfs/dbraw/zinc/76/51/36/498765136.db2.gz XZTBPLOXODCRSC-CXAGYDPISA-N -1 3 353.426 3.266 20 0 FGADHM Cc1cccc(S(=O)(=O)[N-]CCc2ccc(OC(F)F)cc2)c1F ZINC000313240485 498767310 /nfs/dbraw/zinc/76/73/10/498767310.db2.gz SXHZPNZGXALNFE-UHFFFAOYSA-N -1 3 359.369 3.257 20 0 FGADHM CC(=O)c1ccc(C(=O)N2CCC[C@H](c3ncc4n3CCCC4)C2)cc1[O-] ZINC000572939378 506087455 /nfs/dbraw/zinc/08/74/55/506087455.db2.gz MGLASOGSKGCJOQ-INIZCTEOSA-N -1 3 367.449 3.147 20 0 FGADHM CCN(CC)[C@@H](CNC(=O)c1ccc(C(=O)[O-])cc1)c1cccc(OC)c1 ZINC000576159015 506090228 /nfs/dbraw/zinc/09/02/28/506090228.db2.gz IELXIJMDHJCNMT-IBGZPJMESA-N -1 3 370.449 3.206 20 0 FGADHM O=C([O-])[C@@]1(C(F)(F)F)CCN(CCCOc2ccc(Cl)cc2)C1 ZINC000320197516 498806804 /nfs/dbraw/zinc/80/68/04/498806804.db2.gz CBGBJKLAKQBMNE-CQSZACIVSA-N -1 3 351.752 3.448 20 0 FGADHM COC(=O)c1c(C)csc1[N-]C(=O)C(=O)N(C)[C@H](C)c1cccs1 ZINC000287609330 498812787 /nfs/dbraw/zinc/81/27/87/498812787.db2.gz XJKNNKLDXIUFLU-SNVBAGLBSA-N -1 3 366.464 3.063 20 0 FGADHM CC[C@@H]([N-]S(=O)(=O)c1c(C)csc1C(=O)OC)C1CCCCC1 ZINC000322854742 498818138 /nfs/dbraw/zinc/81/81/38/498818138.db2.gz XUZNBKGZSFBRCH-CYBMUJFWSA-N -1 3 359.513 3.480 20 0 FGADHM CC1([C@@H]2CCCN(C(=O)CCc3ccc4ccccc4c3[O-])C2)OCCO1 ZINC000294947553 498858152 /nfs/dbraw/zinc/85/81/52/498858152.db2.gz MBVAEMFUYNXLCF-GOSISDBHSA-N -1 3 369.461 3.480 20 0 FGADHM Cc1nnc([C@H](NC(=O)c2cc([O-])c3ccccc3c2)c2ccccc2)[nH]1 ZINC000366328990 498876015 /nfs/dbraw/zinc/87/60/15/498876015.db2.gz RAVZHLRBABBBLA-LJQANCHMSA-N -1 3 358.401 3.491 20 0 FGADHM O=C(N[C@H]1CCOC2(CCSCC2)C1)c1cc2c(cc1[O-])CCCC2 ZINC000333047614 498881449 /nfs/dbraw/zinc/88/14/49/498881449.db2.gz KRZFWVPJKLQIFE-INIZCTEOSA-N -1 3 361.507 3.446 20 0 FGADHM NC(=O)N1CCCc2ccc(NC(=O)c3cc4c(cc3[O-])CCCC4)cc21 ZINC000333054070 498884183 /nfs/dbraw/zinc/88/41/83/498884183.db2.gz LUVZTXNUUKMNNZ-UHFFFAOYSA-N -1 3 365.433 3.355 20 0 FGADHM O=C([O-])[C@H](c1ccccc1F)N1CCC(OC[C@H]2CCCCO2)CC1 ZINC000570167808 506106663 /nfs/dbraw/zinc/10/66/63/506106663.db2.gz ABVJYPIVUAUHEB-QAPCUYQASA-N -1 3 351.418 3.002 20 0 FGADHM CC(C)c1nc([C@H]2CCCCCN2C(=O)c2cc(F)cc3[n-]nnc32)no1 ZINC000328642325 498887073 /nfs/dbraw/zinc/88/70/73/498887073.db2.gz DRSJHNHVZCTECU-CQSZACIVSA-N -1 3 372.404 3.361 20 0 FGADHM CC(C)c1nc([C@H]2CCCCCN2C(=O)c2cc(F)cc3nn[n-]c32)no1 ZINC000328642325 498887076 /nfs/dbraw/zinc/88/70/76/498887076.db2.gz DRSJHNHVZCTECU-CQSZACIVSA-N -1 3 372.404 3.361 20 0 FGADHM CC(C)c1nc([C@H]2CCCCCN2C(=O)c2cc(F)cc3n[n-]nc32)no1 ZINC000328642325 498887078 /nfs/dbraw/zinc/88/70/78/498887078.db2.gz DRSJHNHVZCTECU-CQSZACIVSA-N -1 3 372.404 3.361 20 0 FGADHM Cc1cn2c(n1)[C@@H](CNC(=O)c1cc([O-])ccc1C(F)(F)F)CCC2 ZINC000366369231 498894843 /nfs/dbraw/zinc/89/48/43/498894843.db2.gz HWFRJLYTVJFWFX-LLVKDONJSA-N -1 3 353.344 3.223 20 0 FGADHM COc1ccc(CN[C@@H](CO)c2ccc(F)cc2)c(Br)c1[O-] ZINC000295078573 498901597 /nfs/dbraw/zinc/90/15/97/498901597.db2.gz HYSWEYGGNHMMAC-ZDUSSCGKSA-N -1 3 370.218 3.126 20 0 FGADHM C[C@@H]1CCN(CC(=O)N[C@H](c2ccccc2)C2CCCC2)C[C@@H]1C(=O)[O-] ZINC000582003174 506111077 /nfs/dbraw/zinc/11/10/77/506111077.db2.gz YGUVICNRESHPHV-MOXGXCLJSA-N -1 3 358.482 3.077 20 0 FGADHM COC(=O)[C@H]1CCCC[C@]1(C)NC(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000287982282 498917670 /nfs/dbraw/zinc/91/76/70/498917670.db2.gz AOWAESWIXSNLCL-QRWLVFNGSA-N -1 3 374.412 3.240 20 0 FGADHM CCOc1ccc([C@H](O)C2CCN(Cc3nc(CC)cc(=O)[n-]3)CC2)cc1 ZINC000291380815 498918113 /nfs/dbraw/zinc/91/81/13/498918113.db2.gz ATWUIRDFHTUYHR-NRFANRHFSA-N -1 3 371.481 3.089 20 0 FGADHM CCc1c([N-]C(=O)[C@@H]2CC(c3ccccc3)=NO2)onc1C(F)(F)F ZINC000288026789 498927277 /nfs/dbraw/zinc/92/72/77/498927277.db2.gz WJWPJGDIESEOAV-LBPRGKRZSA-N -1 3 353.300 3.388 20 0 FGADHM C[C@@H]1C[C@H](N=c2[n-]nc(-c3ccon3)s2)CCN1Cc1ccccc1 ZINC000573078094 506113181 /nfs/dbraw/zinc/11/31/81/506113181.db2.gz WXNMYQCPSISYGZ-UKRRQHHQSA-N -1 3 355.467 3.080 20 0 FGADHM CCc1cc(C(=O)N[C@@H](C)c2ccc(N3CCOC3=O)cc2)ccc1[O-] ZINC000291425545 498935566 /nfs/dbraw/zinc/93/55/66/498935566.db2.gz DRFWZKLSRGPHHZ-ZDUSSCGKSA-N -1 3 354.406 3.402 20 0 FGADHM COc1cccc2c(C(=O)Nc3cc(C(=O)NC4CC4)ccc3C)[n-]nc21 ZINC000291440914 498941521 /nfs/dbraw/zinc/94/15/21/498941521.db2.gz IQTUNSCFYOKGKQ-UHFFFAOYSA-N -1 3 364.405 3.024 20 0 FGADHM COc1cccc2c(C(=O)Nc3cc(C(=O)NC4CC4)ccc3C)n[n-]c21 ZINC000291440914 498941527 /nfs/dbraw/zinc/94/15/27/498941527.db2.gz IQTUNSCFYOKGKQ-UHFFFAOYSA-N -1 3 364.405 3.024 20 0 FGADHM CC1(c2cc([N-]C(=O)c3csc(-c4cnccn4)n3)no2)CCCC1 ZINC000579196692 506115486 /nfs/dbraw/zinc/11/54/86/506115486.db2.gz WVLXSDQNWFNGHH-UHFFFAOYSA-N -1 3 355.423 3.094 20 0 FGADHM O=C(Nc1ccc(O)cc1)C1CCN(Cc2c(F)ccc([O-])c2F)CC1 ZINC000295214323 498945901 /nfs/dbraw/zinc/94/59/01/498945901.db2.gz AZUMHCUNKAYCEZ-UHFFFAOYSA-N -1 3 362.376 3.227 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1ccccc1)c1nnc(-c2cccc(F)c2)s1 ZINC000363705798 498952990 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Cc1nc(C)c(CCC(=O)N2CCc3c(Cl)cc(F)cc3C2)c(=O)[n-]1 ZINC000295423531 499014100 /nfs/dbraw/zinc/01/41/00/499014100.db2.gz MSSCSJBCOSIUTA-UHFFFAOYSA-N -1 3 363.820 3.109 20 0 FGADHM O=S(=O)([N-][C@H]1CCO[C@@H](C2CC2)C1)c1ccc(C(F)(F)F)s1 ZINC000291657244 499025630 /nfs/dbraw/zinc/02/56/30/499025630.db2.gz IWTSADGIDOJBIU-VHSXEESVSA-N -1 3 355.403 3.003 20 0 FGADHM COc1cccc(-c2nc([C@@H]3CN(C4CCCCC4)CCO3)no2)c1[O-] ZINC000363888590 499041622 /nfs/dbraw/zinc/04/16/22/499041622.db2.gz NLUNXNGLUCVLJQ-INIZCTEOSA-N -1 3 359.426 3.157 20 0 FGADHM CC[C@H](C)CO[N-]C(=O)Nc1ccc(NC(=O)NC[C@H]2CCCO2)cc1 ZINC000291795202 499070018 /nfs/dbraw/zinc/07/00/18/499070018.db2.gz PFPWZECYEHZVLC-XJKSGUPXSA-N -1 3 364.446 3.086 20 0 FGADHM Cc1cc(C(=O)N2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)ccc1[O-] ZINC000291811739 499074834 /nfs/dbraw/zinc/07/48/34/499074834.db2.gz CVHXJHBEQYNODN-CVEARBPZSA-N -1 3 360.454 3.030 20 0 FGADHM Cc1c(NC(=O)c2cn[n-]c2-c2ccsc2)cnn1C1CCOCC1 ZINC000295666429 499075818 /nfs/dbraw/zinc/07/58/18/499075818.db2.gz WMIVXZAVTRUSGA-UHFFFAOYSA-N -1 3 357.439 3.247 20 0 FGADHM Cc1c(NC(=O)c2c[n-]nc2-c2ccsc2)cnn1C1CCOCC1 ZINC000295666429 499075823 /nfs/dbraw/zinc/07/58/23/499075823.db2.gz WMIVXZAVTRUSGA-UHFFFAOYSA-N -1 3 357.439 3.247 20 0 FGADHM CCOCc1nnc([N-]Cc2cnc(NC(=O)OC(C)(C)C)s2)o1 ZINC000284275734 499081722 /nfs/dbraw/zinc/08/17/22/499081722.db2.gz SQEHJSMHOOJTGL-UHFFFAOYSA-N -1 3 355.420 3.022 20 0 FGADHM COc1cccc(C2(C[N-]S(=O)(=O)c3c(C)noc3C)CCCC2)c1 ZINC000573154651 506130687 /nfs/dbraw/zinc/13/06/87/506130687.db2.gz IKYFOMIGMMFTTI-UHFFFAOYSA-N -1 3 364.467 3.090 20 0 FGADHM Cn1cc(-c2cc(F)ccc2NCc2nc(C(F)(F)F)cc(=O)[n-]2)cn1 ZINC000366883422 499105441 /nfs/dbraw/zinc/10/54/41/499105441.db2.gz USZRCQJVSHJQNM-UHFFFAOYSA-N -1 3 367.306 3.353 20 0 FGADHM Cc1ccc2[nH]c([C@@H]3CCCN3C(=O)c3csc(=NC4CC4)[n-]3)nc2c1 ZINC000329451257 499123490 /nfs/dbraw/zinc/12/34/90/499123490.db2.gz MYGLZLCDYVTJBS-INIZCTEOSA-N -1 3 367.478 3.301 20 0 FGADHM Cc1ccc2nc([C@@H]3CCCN3C(=O)c3csc(=NC4CC4)[n-]3)[nH]c2c1 ZINC000329451257 499123491 /nfs/dbraw/zinc/12/34/91/499123491.db2.gz MYGLZLCDYVTJBS-INIZCTEOSA-N -1 3 367.478 3.301 20 0 FGADHM Cc1c([N-]S(=O)(=O)c2cccc(Cl)c2F)[nH]nc1-c1ccncc1 ZINC000367007228 499132787 /nfs/dbraw/zinc/13/27/87/499132787.db2.gz NZVFCMPBESPSSS-UHFFFAOYSA-N -1 3 366.805 3.373 20 0 FGADHM COc1cc(C(=O)N2CCC(OCC3CCCC3)CC2)cc(OC)c1[O-] ZINC000367019477 499134755 /nfs/dbraw/zinc/13/47/55/499134755.db2.gz IMHJZYQTRVSMRR-UHFFFAOYSA-N -1 3 363.454 3.221 20 0 FGADHM CN(C(=O)c1ccc2n[n-]nc2c1)[C@@H](c1cccc(F)c1)c1ccccn1 ZINC000372554726 499145526 /nfs/dbraw/zinc/14/55/26/499145526.db2.gz WMDVLBCVQXSOHR-IBGZPJMESA-N -1 3 361.380 3.354 20 0 FGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CC[C@@](F)(c2ccccc2)C1 ZINC000367265983 499170778 /nfs/dbraw/zinc/17/07/78/499170778.db2.gz CAOPVIOMNMAWTB-FQEVSTJZSA-N -1 3 357.429 3.499 20 0 FGADHM O=C(Cc1ccc([O-])cc1Cl)N1CCC[C@](CO)(c2ccccc2)C1 ZINC000367275864 499172380 /nfs/dbraw/zinc/17/23/80/499172380.db2.gz YYZHILVFZSWHOA-FQEVSTJZSA-N -1 3 359.853 3.141 20 0 FGADHM COc1ccc(F)cc1CC(=O)Nc1cccc(-c2nc(C)cc(=O)[n-]2)c1 ZINC000372924304 499194963 /nfs/dbraw/zinc/19/49/63/499194963.db2.gz PLWRSWLZEZMCKO-UHFFFAOYSA-N -1 3 367.380 3.487 20 0 FGADHM COc1ccc([O-])c(C(=O)N2CCO[C@@H](c3ccc(Cl)s3)C2)c1 ZINC000367444534 499199651 /nfs/dbraw/zinc/19/96/51/499199651.db2.gz GEMZJEMHIKVCBS-CYBMUJFWSA-N -1 3 353.827 3.329 20 0 FGADHM O=S(=O)([N-][C@@H]1CCO[C@@H](c2cccs2)C1)c1cc(F)cc(F)c1 ZINC000570305392 506138066 /nfs/dbraw/zinc/13/80/66/506138066.db2.gz NHVQZKOUAQNOKN-TZMCWYRMSA-N -1 3 359.419 3.225 20 0 FGADHM COC(=O)C[C@@H]1CN(C(=O)Cc2ccc([O-])cc2Cl)c2ccccc21 ZINC000370694035 499244783 /nfs/dbraw/zinc/24/47/83/499244783.db2.gz IPJKNQMYTOPALR-CYBMUJFWSA-N -1 3 359.809 3.282 20 0 FGADHM O=C(Cc1cncc([O-])c1)N(Cc1cccc(Br)c1)C1CC1 ZINC000582132570 506141015 /nfs/dbraw/zinc/14/10/15/506141015.db2.gz QOZHOCMACRNBJT-UHFFFAOYSA-N -1 3 361.239 3.283 20 0 FGADHM O=C([N-]c1ncn(-c2cccnc2)n1)c1occc1COc1ccccc1 ZINC000368409926 499293190 /nfs/dbraw/zinc/29/31/90/499293190.db2.gz IJKNLEGBTSFROL-UHFFFAOYSA-N -1 3 361.361 3.087 20 0 FGADHM COc1cc(C(=O)N[C@H]2CCOc3c(C)cc(C)cc32)cc(OC)c1[O-] ZINC000371225903 499299723 /nfs/dbraw/zinc/29/97/23/499299723.db2.gz OKOPANWLJNTYKS-HNNXBMFYSA-N -1 3 357.406 3.280 20 0 FGADHM NC(=O)[N-]C(=O)OCCCN1CCC[C@@H]1c1nc(C2CCCCC2)co1 ZINC000371391462 499319734 /nfs/dbraw/zinc/31/97/34/499319734.db2.gz DWEZRVCEKSQNJH-OAHLLOKOSA-N -1 3 364.446 3.054 20 0 FGADHM CN(C(=O)c1ccc(O)cc1[O-])[C@H](c1cccc(F)c1)c1ccccn1 ZINC000371521266 499337795 /nfs/dbraw/zinc/33/77/95/499337795.db2.gz BCZKJAXVXVKTRI-LJQANCHMSA-N -1 3 352.365 3.494 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(N3CC[C@@H](C(C)(C)C)[C@@H](O)C3)nc2)n1 ZINC000371803857 499367076 /nfs/dbraw/zinc/36/70/76/499367076.db2.gz RYUQTGVPOANHCD-CVEARBPZSA-N -1 3 356.470 3.040 20 0 FGADHM COc1ccc(C(=O)N[C@@H](c2noc(C3CC3)n2)c2ccccc2)c([O-])c1 ZINC000369302395 499389371 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FGADHM CC(C)(CO)[C@H]([N-]S(=O)(=O)c1cc(F)ccc1F)c1ccccc1 ZINC000429315520 500050161 /nfs/dbraw/zinc/05/01/61/500050161.db2.gz GRUVMJXCIXHEQQ-MRXNPFEDSA-N -1 3 355.406 3.003 20 0 FGADHM O=S(=O)([N-]CCC1CC(F)(F)C1)c1cccc(Br)c1F ZINC000416499539 500052253 /nfs/dbraw/zinc/05/22/53/500052253.db2.gz BWVUYOOIKFWNAJ-UHFFFAOYSA-N -1 3 372.206 3.302 20 0 FGADHM CC1(C)C[C@@H](C[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)CCO1 ZINC000416502047 500053261 /nfs/dbraw/zinc/05/32/61/500053261.db2.gz KKYPEFCTHZLENU-JTQLQIEISA-N -1 3 369.380 3.328 20 0 FGADHM COc1cc(OC)c(S(=O)(=O)[N-]C[C@H]2CCC(F)(F)C2)cc1Cl ZINC000416525799 500056159 /nfs/dbraw/zinc/05/61/59/500056159.db2.gz NOFBUAYNEFUODI-VIFPVBQESA-N -1 3 369.817 3.071 20 0 FGADHM C[C@@H]1CC[C@@H](C[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)O1 ZINC000416526947 500056585 /nfs/dbraw/zinc/05/65/85/500056585.db2.gz BYWZBVPTMLGVEZ-SCZZXKLOSA-N -1 3 357.781 3.205 20 0 FGADHM COC(C)(C)CC(=O)Nc1n[n-]c(-c2ccc(Br)cc2F)n1 ZINC000429363575 500060519 /nfs/dbraw/zinc/06/05/19/500060519.db2.gz QJGZSXLVBBVUPC-UHFFFAOYSA-N -1 3 371.210 3.127 20 0 FGADHM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1C[C@H]1C(C)C ZINC000416547095 500060665 /nfs/dbraw/zinc/06/06/65/500060665.db2.gz LJFZFAYVFBLQNV-KWCYVHTRSA-N -1 3 361.891 3.077 20 0 FGADHM CN1CCC[C@H](CC[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)C1 ZINC000416551999 500061964 /nfs/dbraw/zinc/06/19/64/500061964.db2.gz HFACORJRAWTBBS-SNVBAGLBSA-N -1 3 369.289 3.143 20 0 FGADHM CO[C@H]1c2ccccc2C[C@H]1[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000416581355 500066071 /nfs/dbraw/zinc/06/60/71/500066071.db2.gz SIMCKGATRDWIHS-ZBFHGGJFSA-N -1 3 371.380 3.296 20 0 FGADHM CO[C@H]1c2ccccc2C[C@H]1[N-]S(=O)(=O)Cc1ccc(F)c(Cl)c1 ZINC000416583645 500066860 /nfs/dbraw/zinc/06/68/60/500066860.db2.gz YMOHOHDTKDTTFJ-SJORKVTESA-N -1 3 369.845 3.211 20 0 FGADHM CC(C)(C)c1ccncc1C[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000416583246 500067239 /nfs/dbraw/zinc/06/72/39/500067239.db2.gz HANIPUMQJQKPGR-UHFFFAOYSA-N -1 3 373.272 3.213 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]C[C@@H]2C[C@@H](C)O[C@H]2C)c(Cl)c1Cl ZINC000416596573 500069304 /nfs/dbraw/zinc/06/93/04/500069304.db2.gz FUPBDCXSGWQGMG-UTLUCORTSA-N -1 3 368.282 3.094 20 0 FGADHM CO[C@@](C)([C@@H](C)[N-]S(=O)(=O)c1oc2ccc(F)cc2c1C)C1CC1 ZINC000416607562 500071905 /nfs/dbraw/zinc/07/19/05/500071905.db2.gz ZFZWNPJNFAGTHL-DIFFPNOSSA-N -1 3 355.431 3.362 20 0 FGADHM COc1cc([C@@H]2NC(C)(C)C(=O)N2CC2CCCC2)cc(Cl)c1[O-] ZINC000573339370 506174914 /nfs/dbraw/zinc/17/49/14/506174914.db2.gz OSQXGNBMXLKFSS-MRXNPFEDSA-N -1 3 352.862 3.453 20 0 FGADHM CCc1nc(CNCc2ccc(C)cc2-c2ccnn2C)ccc1C(=O)[O-] ZINC000417553846 500106552 /nfs/dbraw/zinc/10/65/52/500106552.db2.gz BIUDOBULWHEHQM-UHFFFAOYSA-N -1 3 364.449 3.341 20 0 FGADHM CC[C@@](C)(CNCc1ccc(F)cc1I)C(=O)[O-] ZINC000417556575 500107975 /nfs/dbraw/zinc/10/79/75/500107975.db2.gz HLHJRLVUAVLGDP-ZDUSSCGKSA-N -1 3 365.186 3.021 20 0 FGADHM COc1cc(CN[C@@H](C(=O)[O-])c2ccc(Cl)c(C)c2)cc2c1OCO2 ZINC000417561377 500109889 /nfs/dbraw/zinc/10/98/89/500109889.db2.gz BCFUPYTWGUCYRX-MRXNPFEDSA-N -1 3 363.797 3.301 20 0 FGADHM CC[C@H](C)N1CCN(C(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)CC1 ZINC000582283678 506176567 /nfs/dbraw/zinc/17/65/67/506176567.db2.gz KFSSPBHZRSIUAX-AWEZNQCLSA-N -1 3 369.469 3.106 20 0 FGADHM CC(=O)N(c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)[C@@H]1C[C@@H]1C ZINC000570480124 506176792 /nfs/dbraw/zinc/17/67/92/506176792.db2.gz IIRGTVAUVLIXTO-KPZWWZAWSA-N -1 3 362.426 3.388 20 0 FGADHM C[C@@H](C(=O)N=c1[n-]n(CC(F)(F)F)cc1Br)C1CCC1 ZINC000421679157 500113945 /nfs/dbraw/zinc/11/39/45/500113945.db2.gz HWMGNWQUSVQUKR-SSDOTTSWSA-N -1 3 354.170 3.005 20 0 FGADHM CC(C)(C(=O)N=c1[n-]n(CC(F)(F)F)cc1Br)C1CC1 ZINC000421678759 500114193 /nfs/dbraw/zinc/11/41/93/500114193.db2.gz DBALJZSPKFUJCF-UHFFFAOYSA-N -1 3 354.170 3.005 20 0 FGADHM Cc1ccc(C)c([C@@H](C)N(C)C(=O)N=c2cc(OC(F)F)n(C)[n-]2)c1 ZINC000429623557 500114207 /nfs/dbraw/zinc/11/42/07/500114207.db2.gz IAOHYDRUOAAMDU-GFCCVEGCSA-N -1 3 352.385 3.285 20 0 FGADHM COc1ccc2c(c1)CCC[C@]2(NCc1ccc(C)cc1OC)C(=O)[O-] ZINC000417578581 500115063 /nfs/dbraw/zinc/11/50/63/500115063.db2.gz MBJNQOPTJBPMKJ-OAQYLSRUSA-N -1 3 355.434 3.418 20 0 FGADHM CC[C@H](C)[C@@H](C)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Br ZINC000421681187 500115316 /nfs/dbraw/zinc/11/53/16/500115316.db2.gz GNYZGACXHNJVSR-JGVFFNPUSA-N -1 3 356.186 3.251 20 0 FGADHM C[C@@H]1CCCc2ccccc2[C@H]1NC(=O)N=c1cc(OC(F)F)n(C)[n-]1 ZINC000429629827 500115536 /nfs/dbraw/zinc/11/55/36/500115536.db2.gz TYDDXYUAVPDDFB-BZNIZROVSA-N -1 3 364.396 3.279 20 0 FGADHM Cn1[n-]c(=NC(=O)N(Cc2ccc(Cl)cc2)C2CC2)cc1OC(F)F ZINC000429641067 500116723 /nfs/dbraw/zinc/11/67/23/500116723.db2.gz RIBXAZCNRZPJGV-UHFFFAOYSA-N -1 3 370.787 3.293 20 0 FGADHM C[C@H]1CN(C(=O)N=c2cc(OC(F)F)n(C)[n-]2)CC[C@@H]1c1ccccc1 ZINC000429639073 500116996 /nfs/dbraw/zinc/11/69/96/500116996.db2.gz SOJCPLPGCMCFHW-JSGCOSHPSA-N -1 3 364.396 3.101 20 0 FGADHM COCC[C@@H](NCc1cc(C(F)(F)F)ccc1Br)C(=O)[O-] ZINC000417585830 500118000 /nfs/dbraw/zinc/11/80/00/500118000.db2.gz BNQROLPHVIUHFU-LLVKDONJSA-N -1 3 370.165 3.047 20 0 FGADHM C[C@@H](NC(=O)C(=O)[N-]c1cnns1)c1ccccc1Oc1ccccc1 ZINC000429650167 500118120 /nfs/dbraw/zinc/11/81/20/500118120.db2.gz CHLQNLAUCFWKLT-GFCCVEGCSA-N -1 3 368.418 3.146 20 0 FGADHM COc1cc(CN[C@H]2C[C@H](C(=O)[O-])c3ccccc32)cc(OC)c1OC ZINC000417620337 500126545 /nfs/dbraw/zinc/12/65/45/500126545.db2.gz LJENLBHZUPIBAF-HOTGVXAUSA-N -1 3 357.406 3.115 20 0 FGADHM C[C@@H](C(=O)[O-])[C@H](C)NCc1cccc(Br)c1OC(F)F ZINC000417618660 500126879 /nfs/dbraw/zinc/12/68/79/500126879.db2.gz YDTSYWKLZHWPJV-SFYZADRCSA-N -1 3 352.175 3.249 20 0 FGADHM CC(C)=CCSC[C@H](NCc1cnn(Cc2ccccc2)c1)C(=O)[O-] ZINC000417621284 500127858 /nfs/dbraw/zinc/12/78/58/500127858.db2.gz DZGQVQRAFFAQCR-SFHVURJKSA-N -1 3 359.495 3.174 20 0 FGADHM O=C([O-])C[C@H](CNCc1ccc(Br)c(F)c1)C(F)(F)F ZINC000417637512 500132714 /nfs/dbraw/zinc/13/27/14/500132714.db2.gz YYVIFZGDVKWFCP-MRVPVSSYSA-N -1 3 358.129 3.331 20 0 FGADHM C[C@H](CC(C)(C)NCc1cn(-c2ccc(F)c(Cl)c2)nn1)C(=O)[O-] ZINC000417640302 500134308 /nfs/dbraw/zinc/13/43/08/500134308.db2.gz XIKIVTNXIBZTQS-SNVBAGLBSA-N -1 3 354.813 3.039 20 0 FGADHM CCOC[C@@H](NCc1cccc(OCc2ccccc2Cl)c1)C(=O)[O-] ZINC000417660989 500141320 /nfs/dbraw/zinc/14/13/20/500141320.db2.gz RBFWIAPTCNLWHE-GOSISDBHSA-N -1 3 363.841 3.498 20 0 FGADHM COc1ccccc1N1CC[C@@H](SCc2cc(=O)[n-]c(C3CC3)n2)C1=O ZINC000582291178 506178558 /nfs/dbraw/zinc/17/85/58/506178558.db2.gz FROZEVSQHDZIHP-MRXNPFEDSA-N -1 3 371.462 3.107 20 0 FGADHM CC(=O)N(c1ccc(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)cc1)[C@@H]1C[C@@H]1C ZINC000576528597 506179576 /nfs/dbraw/zinc/17/95/76/506179576.db2.gz AGRKHLCCLRJIRH-APPDUMDISA-N -1 3 366.421 3.073 20 0 FGADHM O=S(=O)(Cc1noc2ccccc21)[N-]Cc1c(F)cc(F)c(F)c1F ZINC000429877326 500160992 /nfs/dbraw/zinc/16/09/92/500160992.db2.gz BFZNDBKBUJFHLG-UHFFFAOYSA-N -1 3 374.315 3.004 20 0 FGADHM O=S(=O)(Cc1ccccc1F)[N-]Cc1c(F)cc(F)c(F)c1F ZINC000429903824 500164758 /nfs/dbraw/zinc/16/47/58/500164758.db2.gz RZKCTVXKCTUJEG-UHFFFAOYSA-N -1 3 351.296 3.002 20 0 FGADHM C[C@@H](CNC(=O)c1ccccc1)c1noc(-c2n[n-]nc2-c2ccccc2)n1 ZINC000573363405 506179846 /nfs/dbraw/zinc/17/98/46/506179846.db2.gz PYQZXGFJNXXVNM-ZDUSSCGKSA-N -1 3 374.404 3.055 20 0 FGADHM Cc1cccc(F)c1S(=O)(=O)[N-]Cc1c(F)cc(F)c(F)c1F ZINC000429913122 500165920 /nfs/dbraw/zinc/16/59/20/500165920.db2.gz ZPAWHHMURJRORV-UHFFFAOYSA-N -1 3 351.296 3.169 20 0 FGADHM Cc1cc(=NC(=O)c2c[n-]nc2-c2ccccn2)[nH]n1C1CCCCC1 ZINC000570493887 506180149 /nfs/dbraw/zinc/18/01/49/506180149.db2.gz ZPBPNRFMJCTESI-UHFFFAOYSA-N -1 3 350.426 3.156 20 0 FGADHM C[C@H]1CCCC[C@H]1NC(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000429972446 500175556 /nfs/dbraw/zinc/17/55/56/500175556.db2.gz GVTGFKJOQIGDHV-GXFFZTMASA-N -1 3 351.248 3.219 20 0 FGADHM O=S(=O)([N-][C@@H]1C[C@@H]1c1ccccc1)c1cc(F)ccc1Br ZINC000430026280 500182440 /nfs/dbraw/zinc/18/24/40/500182440.db2.gz BXTIYQYHGWJBIP-TZMCWYRMSA-N -1 3 370.243 3.423 20 0 FGADHM O=S(=O)([N-][C@@H]1C[C@H]1C1CC1)c1cccc(Cl)c1Br ZINC000430034205 500183649 /nfs/dbraw/zinc/18/36/49/500183649.db2.gz IWQLMORKUTVWAZ-WCBMZHEXSA-N -1 3 350.665 3.179 20 0 FGADHM CC1(C)CCC[C@H]1N(Cc1ccccc1)C(=O)C(=O)[N-]c1cnns1 ZINC000430035299 500183856 /nfs/dbraw/zinc/18/38/56/500183856.db2.gz VYBHDPPEHWFDBH-CQSZACIVSA-N -1 3 358.467 3.084 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N2CCC[C@H](CC(F)(F)F)C2)c([O-])c1 ZINC000421958978 500184949 /nfs/dbraw/zinc/18/49/49/500184949.db2.gz JPCHHDWOSWHGTB-CYBMUJFWSA-N -1 3 372.387 3.012 20 0 FGADHM COc1ccc(CN2CCOC[C@H](C3CCC3)C2)c(Br)c1[O-] ZINC000430147916 500200180 /nfs/dbraw/zinc/20/01/80/500200180.db2.gz MFFWZVWOBCTTNL-CQSZACIVSA-N -1 3 370.287 3.412 20 0 FGADHM CCN(C(=O)NCc1nnc(C(F)(F)F)[n-]1)[C@H](C)Cc1ccsc1 ZINC000430271158 500218842 /nfs/dbraw/zinc/21/88/42/500218842.db2.gz XCODZHGWWJCJFF-SECBINFHSA-N -1 3 361.393 3.048 20 0 FGADHM CCN(C(=O)NCc1n[n-]c(C(F)(F)F)n1)[C@H](C)Cc1ccsc1 ZINC000430271158 500218846 /nfs/dbraw/zinc/21/88/46/500218846.db2.gz 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C[C@H](CN(C)CC(=O)N(C)[C@H](c1ccccc1)c1ccc(F)cc1)C(=O)[O-] ZINC000422598650 500280362 /nfs/dbraw/zinc/28/03/62/500280362.db2.gz XBUCBGKEGPFDAZ-FOIQADDNSA-N -1 3 372.440 3.026 20 0 FGADHM C[C@@H]1CN(Cc2cc([O-])ccc2Br)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000430781933 500284482 /nfs/dbraw/zinc/28/44/82/500284482.db2.gz VOCZOLZTGRGCGG-XNJGSVPQSA-N -1 3 370.287 3.313 20 0 FGADHM CC(C)(C)c1ncc(CNC[C@H](Oc2ccc(F)cc2)C(=O)[O-])s1 ZINC000426638756 500299291 /nfs/dbraw/zinc/29/92/91/500299291.db2.gz KIJVSDCPNFPGOL-AWEZNQCLSA-N -1 3 352.431 3.202 20 0 FGADHM COc1cc(Br)c(CNC[C@@H](C)CCC(=O)[O-])c(OC)c1 ZINC000426656466 500302218 /nfs/dbraw/zinc/30/22/18/500302218.db2.gz IPZQEPSQJQRSCR-JTQLQIEISA-N -1 3 360.248 3.057 20 0 FGADHM O=C([O-])[C@@H](Cc1ccc(O)cc1)NCc1cc(F)ccc1Br ZINC000426654453 500302304 /nfs/dbraw/zinc/30/23/04/500302304.db2.gz LJLVCAWPKLAXFP-OAHLLOKOSA-N -1 3 368.202 3.079 20 0 FGADHM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NCc1ccn(-c2ccccc2)n1 ZINC000426662695 500303462 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20 0 FGADHM CN(C(=O)c1cc(OCc2ccccc2)ccc1[O-])[C@@H]1CN2CCC1CC2 ZINC000436554600 501156200 /nfs/dbraw/zinc/15/62/00/501156200.db2.gz GFJAESBHERUILP-HXUWFJFHSA-N -1 3 366.461 3.137 20 0 FGADHM CC(C)(C)NC(=O)CCNC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436561192 501157246 /nfs/dbraw/zinc/15/72/46/501157246.db2.gz GVYLQYGMWGHDTK-UHFFFAOYSA-N -1 3 356.422 3.219 20 0 FGADHM CC1(C)Cc2ccc(C(=O)NCCc3nc4cc(F)ccc4[nH]3)c([O-])c2O1 ZINC000436570759 501159160 /nfs/dbraw/zinc/15/91/60/501159160.db2.gz AURFUXIOTBGZLK-UHFFFAOYSA-N -1 3 369.396 3.094 20 0 FGADHM CN(Cc1ccc([S@@](C)=O)cc1)C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436574603 501160373 /nfs/dbraw/zinc/16/03/73/501160373.db2.gz KFYBZDCFODPBBV-AREMUKBSSA-N -1 3 373.474 3.115 20 0 FGADHM NC(=O)Cc1ccc(NC(=O)c2cc(Cc3ccccc3)ccc2[O-])cc1 ZINC000436581590 501162508 /nfs/dbraw/zinc/16/25/08/501162508.db2.gz JMRNSITYJKDTJM-UHFFFAOYSA-N -1 3 360.413 3.263 20 0 FGADHM COc1ccc(C(=O)N[C@@H](C)c2nc(-c3ccc(F)c(C)c3)no2)c([O-])c1 ZINC000436584125 501163179 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/nfs/dbraw/zinc/17/83/21/501178321.db2.gz JFSFTWGNWUHLFX-UHFFFAOYSA-N -1 3 357.406 3.358 20 0 FGADHM CC(C)c1ccc(C(=O)NCCNC(=O)c2ccc(Cl)cc2)c([O-])c1 ZINC000436661630 501181675 /nfs/dbraw/zinc/18/16/75/501181675.db2.gz DNLKRCHHDJLWKY-UHFFFAOYSA-N -1 3 360.841 3.329 20 0 FGADHM CCN(C)S(=O)(=O)[N-]C1(c2noc(C3CCCC3)n2)CCCCCC1 ZINC000446934240 501182912 /nfs/dbraw/zinc/18/29/12/501182912.db2.gz TWUVBWSNIDHWDD-UHFFFAOYSA-N -1 3 370.519 3.063 20 0 FGADHM C[C@H](Cc1ccc(Br)cc1)NC(=O)c1ccc(O)cc1[O-] ZINC000436675001 501185244 /nfs/dbraw/zinc/18/52/44/501185244.db2.gz TWWAQEHZNAZRTF-SNVBAGLBSA-N -1 3 350.212 3.221 20 0 FGADHM CCc1ccc(C(=O)Nc2cc(F)c(F)cc2N2CCOCC2)c([O-])c1 ZINC000436697179 501190683 /nfs/dbraw/zinc/19/06/83/501190683.db2.gz KJPYRBURBULLOX-UHFFFAOYSA-N -1 3 362.376 3.322 20 0 FGADHM CC(C)[C@@H]1CCC[C@H](NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)C1 ZINC000436708915 501193359 /nfs/dbraw/zinc/19/33/59/501193359.db2.gz ZFMUYELMFPHWTL-MSOLQXFVSA-N -1 3 373.497 3.074 20 0 FGADHM Cc1ccc(C(=O)NCCC(=O)N(C)Cc2ccccc2Cl)c([O-])c1 ZINC000436710175 501193912 /nfs/dbraw/zinc/19/39/12/501193912.db2.gz ZICCEFIEFLKTTL-UHFFFAOYSA-N -1 3 360.841 3.133 20 0 FGADHM CC(C)OC(=O)c1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-] ZINC000436715221 501195246 /nfs/dbraw/zinc/19/52/46/501195246.db2.gz WRDBPZVWLUPJQZ-UHFFFAOYSA-N -1 3 369.826 3.412 20 0 FGADHM Cc1onc(C2CC2)c1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000450154085 501195374 /nfs/dbraw/zinc/19/53/74/501195374.db2.gz ZPKMCHXNWICYKX-UHFFFAOYSA-N -1 3 351.200 3.259 20 0 FGADHM C[C@@H](NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F)c1ccccc1 ZINC000442089234 501196319 /nfs/dbraw/zinc/19/63/19/501196319.db2.gz LWLNFQORTCNDRM-GFCCVEGCSA-N -1 3 356.850 3.108 20 0 FGADHM O=C(Nc1cc(CSCCO)ccn1)c1cc2c(cc1[O-])CCCC2 ZINC000436728754 501198754 /nfs/dbraw/zinc/19/87/54/501198754.db2.gz CNVVJDCCWQRHKJ-UHFFFAOYSA-N -1 3 358.463 3.144 20 0 FGADHM C[C@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[O-])CCN(C2CCC2)C1 ZINC000436736858 501200489 /nfs/dbraw/zinc/20/04/89/501200489.db2.gz PGQLMPPWBZXTDQ-GFCCVEGCSA-N -1 3 356.388 3.357 20 0 FGADHM CN(CCN(C)C(=O)c1cc(Oc2ccccc2)ccc1[O-])CC(F)F ZINC000436737601 501200653 /nfs/dbraw/zinc/20/06/53/501200653.db2.gz LPZZVDUASXUMBG-UHFFFAOYSA-N -1 3 364.392 3.453 20 0 FGADHM Cc1ccc(C(=O)N[C@H](C)c2cc(F)ccc2N2CCN(C)CC2)c([O-])c1 ZINC000436739881 501201644 /nfs/dbraw/zinc/20/16/44/501201644.db2.gz QTUJMXZDFLZXJB-OAHLLOKOSA-N -1 3 371.456 3.083 20 0 FGADHM CCc1nc(C(C)C)ccc1CN1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436746953 501203369 /nfs/dbraw/zinc/20/33/69/501203369.db2.gz IRUJLLWIWWLDIB-UHFFFAOYSA-N -1 3 367.493 3.431 20 0 FGADHM CCOc1cc2c(cc1OCC)CN(C(=O)c1cc(OC)ccc1[O-])CC2 ZINC000436745983 501203411 /nfs/dbraw/zinc/20/34/11/501203411.db2.gz CDQQRCURMZYOIC-UHFFFAOYSA-N -1 3 371.433 3.397 20 0 FGADHM COc1cccc(C(=O)Nc2cnc3c(Br)cccn23)c1[O-] ZINC000436750701 501203992 /nfs/dbraw/zinc/20/39/92/501203992.db2.gz XQOCWLORNYEORU-UHFFFAOYSA-N -1 3 362.183 3.063 20 0 FGADHM CC(C)C(=O)N1CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])CC1 ZINC000436753706 501205293 /nfs/dbraw/zinc/20/52/93/501205293.db2.gz FMWYBVINLSHXDP-UHFFFAOYSA-N -1 3 368.433 3.125 20 0 FGADHM CN1CCN(C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)[C@H](c2ccccc2)C1 ZINC000436758688 501206142 /nfs/dbraw/zinc/20/61/42/501206142.db2.gz ZYJMBNCBAWVDET-SFHVURJKSA-N -1 3 366.461 3.235 20 0 FGADHM O=C(NCc1nc(-c2ccc([O-])cc2)no1)NCc1ccc(Cl)cc1 ZINC000436766500 501207402 /nfs/dbraw/zinc/20/74/02/501207402.db2.gz CECBBQFLPAPJLE-UHFFFAOYSA-N -1 3 358.785 3.095 20 0 FGADHM Cc1nn(-c2ccccc2)c(C)c1C(=O)c1nc(-c2ccc([O-])cc2)no1 ZINC000436771052 501208570 /nfs/dbraw/zinc/20/85/70/501208570.db2.gz WQCHVHIRLFRSIX-UHFFFAOYSA-N -1 3 360.373 3.476 20 0 FGADHM Cc1c(-c2nc(-c3ccc([O-])cc3)no2)sc2nc3n(c(=O)c12)CCC3 ZINC000436772933 501209272 /nfs/dbraw/zinc/20/92/72/501209272.db2.gz PGQXTWSIGLFRDS-UHFFFAOYSA-N -1 3 366.402 3.135 20 0 FGADHM C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc(Cl)cc(Br)c1[O-] ZINC000436776093 501209397 /nfs/dbraw/zinc/20/93/97/501209397.db2.gz ZFTVFIYZNZLQGG-SDBXPKJASA-N -1 3 373.678 3.021 20 0 FGADHM COc1ccc(C(=O)N(Cc2ccccc2OC)C[C@@H]2CCCO2)c([O-])c1 ZINC000436779914 501210380 /nfs/dbraw/zinc/21/03/80/501210380.db2.gz XVJQBVQKFUEOBT-KRWDZBQOSA-N -1 3 371.433 3.231 20 0 FGADHM CCOC(=O)[C@H](CCOC)NC(=O)c1cc(C(C)C)cc(C(C)C)c1[O-] ZINC000436783669 501211053 /nfs/dbraw/zinc/21/10/53/501211053.db2.gz STPFMONJVPHXRZ-KRWDZBQOSA-N -1 3 365.470 3.337 20 0 FGADHM Cc1cccc(C(=O)N(CCO)Cc2cc(Br)cs2)c1[O-] ZINC000436807708 501214523 /nfs/dbraw/zinc/21/45/23/501214523.db2.gz LOAHUEBBSPJUPV-UHFFFAOYSA-N -1 3 370.268 3.159 20 0 FGADHM Cc1ccc(C(=O)N(Cc2ccccc2)C[C@@]2(O)CCO[C@@H]2C)c([O-])c1C ZINC000436809581 501214986 /nfs/dbraw/zinc/21/49/86/501214986.db2.gz UJPSGBYVIXVKDF-VGSWGCGISA-N -1 3 369.461 3.191 20 0 FGADHM COCCN(C(=O)c1ccc2c(c1[O-])OC(C)(C)C2)[C@@H]1CCCSC1 ZINC000436812464 501215415 /nfs/dbraw/zinc/21/54/15/501215415.db2.gz XOBQKIRCTJKWLN-CQSZACIVSA-N -1 3 365.495 3.090 20 0 FGADHM CCc1ccc(C(=O)N2CSC[C@H]2C(=O)Nc2ccccc2)c([O-])c1 ZINC000436811952 501215459 /nfs/dbraw/zinc/21/54/59/501215459.db2.gz WSACGTWVCJGXGV-INIZCTEOSA-N -1 3 356.447 3.108 20 0 FGADHM CC(=O)N1CCc2cc(NC(=O)c3cc4c(cc3[O-])CCCC4)ccc21 ZINC000436820657 501216209 /nfs/dbraw/zinc/21/62/09/501216209.db2.gz IFBZMPRKCNHSJK-UHFFFAOYSA-N -1 3 350.418 3.432 20 0 FGADHM COCC[C@@H]1COCCN1C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436832784 501218700 /nfs/dbraw/zinc/21/87/00/501218700.db2.gz KIRJPLWDJZQJHS-LJQANCHMSA-N -1 3 369.461 3.055 20 0 FGADHM O=C(NC[C@H](NCc1ccccc1)c1ccco1)c1cc(F)ccc1[O-] ZINC000436858475 501222092 /nfs/dbraw/zinc/22/20/92/501222092.db2.gz UOBNDVBRXCDHGB-KRWDZBQOSA-N -1 3 354.381 3.385 20 0 FGADHM COC(=O)c1sc(NC(=O)c2cccc(OC)c2[O-])nc1C(C)(C)C ZINC000436858020 501222382 /nfs/dbraw/zinc/22/23/82/501222382.db2.gz SAXBLQYFNPHSRH-UHFFFAOYSA-N -1 3 364.423 3.194 20 0 FGADHM COc1ccc(C(=O)N2C[C@H](C)N(Cc3ccccc3)C[C@H]2C)c([O-])c1 ZINC000436864115 501223646 /nfs/dbraw/zinc/22/36/46/501223646.db2.gz YFGXJVXMRQGPKS-JKSUJKDBSA-N -1 3 354.450 3.136 20 0 FGADHM COc1cc(Br)ccc1[C@@H](C)NC(=O)c1c([O-])cccc1O ZINC000436866711 501223794 /nfs/dbraw/zinc/22/37/94/501223794.db2.gz ZZPILHKPPNBZOT-SECBINFHSA-N -1 3 366.211 3.360 20 0 FGADHM O=C(Nc1cccc(-c2cn[nH]n2)c1)c1cc(Br)ccc1[O-] ZINC000436873763 501225600 /nfs/dbraw/zinc/22/56/00/501225600.db2.gz XOUGWVAXJOETME-UHFFFAOYSA-N -1 3 359.183 3.192 20 0 FGADHM COC(=O)C[C@@H](NC(=O)c1ccccc1[O-])c1ccc(C(F)(F)F)cc1 ZINC000436884667 501227247 /nfs/dbraw/zinc/22/72/47/501227247.db2.gz GMQXAQJMXDXCNZ-CQSZACIVSA-N -1 3 367.323 3.445 20 0 FGADHM COc1cc(C)cc(-c2nc(CC(=O)Nc3ccc(F)cc3)no2)c1[O-] ZINC000436893193 501228713 /nfs/dbraw/zinc/22/87/13/501228713.db2.gz OKADRLLCZIGTMT-UHFFFAOYSA-N -1 3 357.341 3.080 20 0 FGADHM O=c1[n-]nc(C2CCN(Cc3ccccc3OCC(F)(F)F)CC2)o1 ZINC000450918651 501229434 /nfs/dbraw/zinc/22/94/34/501229434.db2.gz JWGUNHAMQXSXDV-UHFFFAOYSA-N -1 3 357.332 3.096 20 0 FGADHM Cc1cccc(-c2nc(-c3cccc(S(=O)(=O)NC(C)C)c3)no2)c1[O-] ZINC000436908690 501230770 /nfs/dbraw/zinc/23/07/70/501230770.db2.gz WRFSCKKDHOVNCS-UHFFFAOYSA-N -1 3 373.434 3.104 20 0 FGADHM COc1ccc(C[C@H](C)CN(C)C(=O)c2cc(OC)c([O-])c(OC)c2)cc1 ZINC000436920692 501233330 /nfs/dbraw/zinc/23/33/30/501233330.db2.gz QJSZOJOFDQNNQL-AWEZNQCLSA-N -1 3 373.449 3.369 20 0 FGADHM Cc1csc(S(=O)(=O)[N-]Cc2ccc(NC(=O)NC(C)C)cc2)c1 ZINC000451053198 501242163 /nfs/dbraw/zinc/24/21/63/501242163.db2.gz XZCDTMMUOVIXQP-UHFFFAOYSA-N -1 3 367.496 3.065 20 0 FGADHM CCS(=O)(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(C)cc2C)cc1 ZINC000451113223 501246669 /nfs/dbraw/zinc/24/66/69/501246669.db2.gz IGNQLJSSSUPYFT-UHFFFAOYSA-N -1 3 367.492 3.039 20 0 FGADHM Cc1ccc([C@@H](C[N-]S(=O)(=O)c2sccc2Cl)N(C)C)cc1 ZINC000451132547 501247356 /nfs/dbraw/zinc/24/73/56/501247356.db2.gz WRIJJURBNHMLFF-CQSZACIVSA-N -1 3 358.916 3.291 20 0 FGADHM COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)CCc1ccc2ccccc2c1[O-] ZINC000451262885 501255999 /nfs/dbraw/zinc/25/59/99/501255999.db2.gz PSIBFMOBNUXDDX-ZWOKBUDYSA-N -1 3 367.445 3.278 20 0 FGADHM CCOc1ccncc1S(=O)(=O)[N-]Cc1ccc(C)cc1OC(C)C ZINC000451295083 501258905 /nfs/dbraw/zinc/25/89/05/501258905.db2.gz MENWVTHMLHCKSE-UHFFFAOYSA-N -1 3 364.467 3.054 20 0 FGADHM CCC[C@H](NC(=O)N1CCN(C(=O)c2cccc([O-])c2)CC1)C(C)(C)C ZINC000455316361 501269909 /nfs/dbraw/zinc/26/99/09/501269909.db2.gz ZTWOEJWUCHCRSD-KRWDZBQOSA-N -1 3 361.486 3.074 20 0 FGADHM CCC[C@@H](NC(=O)N1CCN(C(=O)c2cccc([O-])c2)CC1)C(C)(C)C ZINC000455316363 501269914 /nfs/dbraw/zinc/26/99/14/501269914.db2.gz ZTWOEJWUCHCRSD-QGZVFWFLSA-N -1 3 361.486 3.074 20 0 FGADHM CC(C)[C@H](O)C1(C[N-]S(=O)(=O)c2ccc3ccccc3c2F)CC1 ZINC000451366371 501276544 /nfs/dbraw/zinc/27/65/44/501276544.db2.gz IRZLNAJAIGDMIB-KRWDZBQOSA-N -1 3 351.443 3.054 20 0 FGADHM C[C@H]([N-]S(=O)(=O)c1sccc1Cl)[C@H]1CCCN(C2CCC2)C1 ZINC000451384266 501280680 /nfs/dbraw/zinc/28/06/80/501280680.db2.gz NDQOKWCSPUJAPW-RYUDHWBXSA-N -1 3 362.948 3.333 20 0 FGADHM C[C@](O)(C[N-]S(=O)(=O)C[C@@H]1CCCCC1(F)F)C1CCCCC1 ZINC000451466821 501298961 /nfs/dbraw/zinc/29/89/61/501298961.db2.gz XUSCBEHHOAUXOS-GJZGRUSLSA-N -1 3 353.475 3.063 20 0 FGADHM CC1(c2noc(-c3cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c3)n2)CC1 ZINC000453305237 501312332 /nfs/dbraw/zinc/31/23/32/501312332.db2.gz QCBLMCMDCXERGV-UHFFFAOYSA-N -1 3 361.345 3.178 20 0 FGADHM CC(C)[C@@H]([N-]S(=O)(=O)c1csc(-c2ccccc2)n1)c1ncc[nH]1 ZINC000451545943 501319005 /nfs/dbraw/zinc/31/90/05/501319005.db2.gz IBDGTOPYWWVPBD-CQSZACIVSA-N -1 3 362.480 3.209 20 0 FGADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H](c1ncc[nH]1)C(C)C ZINC000451545160 501319213 /nfs/dbraw/zinc/31/92/13/501319213.db2.gz GTLXTSDCSGKXSB-CQSZACIVSA-N -1 3 351.403 3.279 20 0 FGADHM CCOC(=O)C(CC)(CC)[N-]S(=O)(=O)C1CCC(C(F)(F)F)CC1 ZINC000451578917 501329611 /nfs/dbraw/zinc/32/96/11/501329611.db2.gz JGILBWINZVRDEZ-UHFFFAOYSA-N -1 3 373.437 3.149 20 0 FGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H]2CCCCC2(F)F)c1 ZINC000451640860 501342099 /nfs/dbraw/zinc/34/20/99/501342099.db2.gz MCFYHZSBSYAJMS-SNVBAGLBSA-N -1 3 353.818 3.452 20 0 FGADHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-][C@H](C)c1ccc(F)c(C)c1 ZINC000451650538 501344588 /nfs/dbraw/zinc/34/45/88/501344588.db2.gz UVSOALOHRYKSIT-SNVBAGLBSA-N -1 3 369.414 3.170 20 0 FGADHM O=C(Cc1ccc([O-])c(F)c1)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000451686879 501350306 /nfs/dbraw/zinc/35/03/06/501350306.db2.gz AJRJOEGLVQNOTB-AOIWGVFYSA-N -1 3 355.409 3.105 20 0 FGADHM CCc1nccn1[C@@H](C)CC(=O)Nc1cc(Cl)cc(C(=O)OC)c1[O-] ZINC000592799746 506247768 /nfs/dbraw/zinc/24/77/68/506247768.db2.gz YCQFKSFHALJLLX-JTQLQIEISA-N -1 3 365.817 3.181 20 0 FGADHM CC1(C)CC=C(C(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)CC1 ZINC000455647118 501355408 /nfs/dbraw/zinc/35/54/08/501355408.db2.gz LDIHLKYTLMSRTB-UHFFFAOYSA-N -1 3 356.466 3.250 20 0 FGADHM COc1cccc2c1C[C@H](NC(=O)c1cc([O-])ccc1C(F)(F)F)C2 ZINC000458085993 501369814 /nfs/dbraw/zinc/36/98/14/501369814.db2.gz NOVXMCLOSOKSFF-LLVKDONJSA-N -1 3 351.324 3.317 20 0 FGADHM Cc1ncsc1CC[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000451790439 501372589 /nfs/dbraw/zinc/37/25/89/501372589.db2.gz URPCQAAMJSQHHQ-UHFFFAOYSA-N -1 3 351.280 3.279 20 0 FGADHM CCc1ncc(S(=O)(=O)[N-][C@@H]2CCc3cc(F)c(F)c(F)c32)s1 ZINC000451962330 501409289 /nfs/dbraw/zinc/40/92/89/501409289.db2.gz HFAYZDQWULLDMF-SECBINFHSA-N -1 3 362.398 3.089 20 0 FGADHM CO[C@@H]([C@@H](C)[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl)C1CC1 ZINC000451982003 501413031 /nfs/dbraw/zinc/41/30/31/501413031.db2.gz FNAOUNIBLLQAAC-RNCFNFMXSA-N -1 3 352.283 3.394 20 0 FGADHM CO[C@@H]([C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)C1CC1 ZINC000452002060 501416429 /nfs/dbraw/zinc/41/64/29/501416429.db2.gz YIROMQHUCBEZDV-OQPBUACISA-N -1 3 371.808 3.451 20 0 FGADHM CO[C@H]([C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)C1CC1 ZINC000452002058 501416706 /nfs/dbraw/zinc/41/67/06/501416706.db2.gz YIROMQHUCBEZDV-AMIZOPFISA-N -1 3 371.808 3.451 20 0 FGADHM CCn1cc([C@@H](C)[N-]S(=O)(=O)c2csc(-c3ccccc3)n2)cn1 ZINC000452006103 501417483 /nfs/dbraw/zinc/41/74/83/501417483.db2.gz NPAHZDSFYCRXPD-GFCCVEGCSA-N -1 3 362.480 3.066 20 0 FGADHM CCCc1nc(C(=O)N=c2[n-]oc(C)c2C)nn1-c1ccccc1Cl ZINC000452167570 501450275 /nfs/dbraw/zinc/45/02/75/501450275.db2.gz VCTQIBJXNNPBKD-UHFFFAOYSA-N -1 3 359.817 3.152 20 0 FGADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@H]1CCO[C@H](c2ccncc2)C1 ZINC000456296451 501491157 /nfs/dbraw/zinc/49/11/57/501491157.db2.gz CVAKGCARWBZLPC-LPHOPBHVSA-N -1 3 358.413 3.286 20 0 FGADHM C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)N1C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000454277191 501499935 /nfs/dbraw/zinc/49/99/35/501499935.db2.gz PLOQGKCRGDQQRR-IIYDPXPESA-N -1 3 363.417 3.369 20 0 FGADHM CCO[C@H]1CCN(C(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)C[C@H]1C ZINC000454324269 501513780 /nfs/dbraw/zinc/51/37/80/501513780.db2.gz VMAXTGCBZGJCOL-ACJLOTCBSA-N -1 3 370.453 3.436 20 0 FGADHM O=C(Cc1ccc([O-])c(F)c1)N[C@@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000452530507 501518833 /nfs/dbraw/zinc/51/88/33/501518833.db2.gz FBAGNEOEQQSFEY-HNNXBMFYSA-N -1 3 371.330 3.333 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N3C[C@@H]4[C@@H]5C=C[C@@H](C5)[C@]4(C)C3)c[n-]c12 ZINC000452605780 501531087 /nfs/dbraw/zinc/53/10/87/501531087.db2.gz NVBGZYYBWHQKMQ-KOXIMRRESA-N -1 3 352.409 3.260 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)NC[C@@H]3CCO[C@@H](C(C)C)C3)c[n-]c12 ZINC000452855527 501575268 /nfs/dbraw/zinc/57/52/68/501575268.db2.gz WFXDKWQIBGFEDO-CXAGYDPISA-N -1 3 360.429 3.157 20 0 FGADHM CC[C@H](NC(=O)c1cc(OCc2ccccc2)ccc1[O-])[C@H](O)C(F)F ZINC000452943005 501590481 /nfs/dbraw/zinc/59/04/81/501590481.db2.gz RIEACQVGHPCMFX-RDJZCZTQSA-N -1 3 365.376 3.106 20 0 FGADHM CC[C@H]1[C@@H](CO)CCN1C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000452966130 501594385 /nfs/dbraw/zinc/59/43/85/501594385.db2.gz WWIKIHJULZODNY-QUCCMNQESA-N -1 3 353.462 3.410 20 0 FGADHM Cc1nc(C)c(CC(=O)NC2(C(C)(C)c3ccc(F)cc3)CC2)c(=O)[n-]1 ZINC000456761914 501594500 /nfs/dbraw/zinc/59/45/00/501594500.db2.gz ZDEYATKIJFOWKO-UHFFFAOYSA-N -1 3 357.429 3.107 20 0 FGADHM Cc1nc(S(=O)(=O)[C@H](C)c2nc(-c3ccc(Cl)cc3)no2)[n-]c1C ZINC000453026923 501604117 /nfs/dbraw/zinc/60/41/17/501604117.db2.gz NYZPHXXZWSUZFQ-SNVBAGLBSA-N -1 3 366.830 3.265 20 0 FGADHM CCC[C@H](NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)C1CCCC1 ZINC000459285357 501625367 /nfs/dbraw/zinc/62/53/67/501625367.db2.gz NVTXKIQQEOUMQV-SFHVURJKSA-N -1 3 373.497 3.219 20 0 FGADHM Cn1nc(-c2cccs2)nc1[N-]C(=O)c1cc(-c2ccccc2)on1 ZINC000582514566 506266726 /nfs/dbraw/zinc/26/67/26/506266726.db2.gz RGQHLTSPDDIOHS-UHFFFAOYSA-N -1 3 351.391 3.451 20 0 FGADHM CCOc1cc(CN(CCO)Cc2ccccc2OC)cc(Cl)c1[O-] ZINC000459298091 501627063 /nfs/dbraw/zinc/62/70/63/501627063.db2.gz IOCXQAIPJYEMMN-UHFFFAOYSA-N -1 3 365.857 3.447 20 0 FGADHM Cc1cc(F)cc2c(=O)c(C(=O)N3C[C@H]4[C@@H]5CC[C@@H](C5)[C@@]4(C)C3)c[n-]c12 ZINC000456988417 501630651 /nfs/dbraw/zinc/63/06/51/501630651.db2.gz PYGLJSDGGAXCDV-JBVFKMRFSA-N -1 3 354.425 3.484 20 0 FGADHM C[C@H](c1ccc(F)cc1F)N1CCN(Cc2cc(=O)[n-]c(C3CC3)n2)CC1 ZINC000459347271 501636529 /nfs/dbraw/zinc/63/65/29/501636529.db2.gz XPIHWPLDNSVIDC-CYBMUJFWSA-N -1 3 374.435 3.217 20 0 FGADHM [O-]c1cccc(CNCCCOCC2CCOCC2)c1Br ZINC000459431633 501652872 /nfs/dbraw/zinc/65/28/72/501652872.db2.gz MLIMCQIVJDZWOZ-UHFFFAOYSA-N -1 3 358.276 3.078 20 0 FGADHM [O-]c1cccc(CNC[C@@H](CCO)c2ccccc2)c1Br ZINC000459437168 501654137 /nfs/dbraw/zinc/65/41/37/501654137.db2.gz RAMPWDGNCIAPEW-CQSZACIVSA-N -1 3 350.256 3.411 20 0 FGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C2=CC[C@H](C)CC2)cc1OC ZINC000454917448 501655222 /nfs/dbraw/zinc/65/52/22/501655222.db2.gz RONFQSZJMKEOJS-LBPRGKRZSA-N -1 3 352.456 3.142 20 0 FGADHM O=c1cc(CN[C@@H](CO)c2c(Cl)cccc2Cl)nc(C2CC2)[n-]1 ZINC000459449590 501656060 /nfs/dbraw/zinc/65/60/60/501656060.db2.gz STPOVLJAWZQPHT-ZDUSSCGKSA-N -1 3 354.237 3.190 20 0 FGADHM CC1(C)C[C@H](CNC(=O)Cc2ccc(Br)cc2[O-])CCO1 ZINC000457186553 501662997 /nfs/dbraw/zinc/66/29/97/501662997.db2.gz OAPOUAKVIVPFBT-LLVKDONJSA-N -1 3 356.260 3.019 20 0 FGADHM Cc1ccc(C[C@@H](CO)NCc2cccc([O-])c2Br)cc1 ZINC000459494826 501663610 /nfs/dbraw/zinc/66/36/10/501663610.db2.gz KRJHPQCEAKLJNV-HNNXBMFYSA-N -1 3 350.256 3.156 20 0 FGADHM CCOc1cc(CN2CC[C@@H](CO)[C@@H]2CC)cc(Br)c1[O-] ZINC000459573925 501679586 /nfs/dbraw/zinc/67/95/86/501679586.db2.gz SHLCTUZKFUKTQM-JSGCOSHPSA-N -1 3 358.276 3.146 20 0 FGADHM CCOC(=O)[C@@H](NCc1cc(=O)[n-]c(C2CC2)n1)c1cccc(C)c1C ZINC000459630720 501689959 /nfs/dbraw/zinc/68/99/59/501689959.db2.gz PZANOHZUBBKVDJ-SFHVURJKSA-N -1 3 355.438 3.070 20 0 FGADHM CCOc1cc(CN[C@@H](C)c2ccn(C)n2)cc(Br)c1[O-] ZINC000459750180 501708705 /nfs/dbraw/zinc/70/87/05/501708705.db2.gz KYMCQJSYTDYLSB-JTQLQIEISA-N -1 3 354.248 3.138 20 0 FGADHM CC(C)(C)C1CN(C(=O)N=c2cc3ccc(Br)cn3[n-]2)C1 ZINC000455237924 501713995 /nfs/dbraw/zinc/71/39/95/501713995.db2.gz AAGUDZMYTWOGPM-UHFFFAOYSA-N -1 3 351.248 3.029 20 0 FGADHM C[C@H](NC(=O)CC(C)(C)C)C(=O)Nc1nnc(-c2cc3ccccc3o2)[n-]1 ZINC000485133978 501733053 /nfs/dbraw/zinc/73/30/53/501733053.db2.gz NYRRZSBJXCPVLD-NSHDSACASA-N -1 3 369.425 3.097 20 0 FGADHM C[C@H](NC(=O)CC(C)(C)C)C(=O)Nc1nc(-c2cc3ccccc3o2)n[n-]1 ZINC000485133978 501733058 /nfs/dbraw/zinc/73/30/58/501733058.db2.gz NYRRZSBJXCPVLD-NSHDSACASA-N -1 3 369.425 3.097 20 0 FGADHM C[C@H](NC(=O)CC(C)(C)C)C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000485133978 501733062 /nfs/dbraw/zinc/73/30/62/501733062.db2.gz NYRRZSBJXCPVLD-NSHDSACASA-N -1 3 369.425 3.097 20 0 FGADHM COC(=O)[C@H]1CCC[C@H](C(=O)Nc2nnc(-c3cc4ccccc4o3)[n-]2)C1 ZINC000485143124 501737001 /nfs/dbraw/zinc/73/70/01/501737001.db2.gz PNFIUWBCRAVVHK-STQMWFEESA-N -1 3 368.393 3.136 20 0 FGADHM COC(=O)[C@H]1CCC[C@H](C(=O)Nc2nc(-c3cc4ccccc4o3)n[n-]2)C1 ZINC000485143124 501737009 /nfs/dbraw/zinc/73/70/09/501737009.db2.gz PNFIUWBCRAVVHK-STQMWFEESA-N -1 3 368.393 3.136 20 0 FGADHM COC(=O)[C@H]1CCC[C@H](C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)C1 ZINC000485143124 501737014 /nfs/dbraw/zinc/73/70/14/501737014.db2.gz PNFIUWBCRAVVHK-STQMWFEESA-N -1 3 368.393 3.136 20 0 FGADHM COc1ccc(CNC(=O)c2ccc3n[n-]nc3c2)c(OC2CCCC2)c1 ZINC000477628433 501743057 /nfs/dbraw/zinc/74/30/57/501743057.db2.gz OPHLHFQGDQYAII-UHFFFAOYSA-N -1 3 366.421 3.218 20 0 FGADHM COC(=O)c1csc(S(=O)(=O)[N-][C@H](C)[C@@H](C)c2ccccc2)c1 ZINC000474216966 501747626 /nfs/dbraw/zinc/74/76/26/501747626.db2.gz XICHIFZJYIBPRN-VXGBXAGGSA-N -1 3 353.465 3.005 20 0 FGADHM CCCS(=O)(=O)[N-]c1cc(NC(=O)c2cncc(C)c2)c(F)cc1F ZINC000463534917 501754697 /nfs/dbraw/zinc/75/46/97/501754697.db2.gz JJEQWPQERWPBNJ-UHFFFAOYSA-N -1 3 369.393 3.072 20 0 FGADHM COc1ccc(CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)cn1 ZINC000485266572 501773934 /nfs/dbraw/zinc/77/39/34/501773934.db2.gz NXBSGOCBSZDEHH-UHFFFAOYSA-N -1 3 365.418 3.217 20 0 FGADHM CC(C)(C)CCS(=O)(=O)[N-]c1ccccc1NC(=O)N1CCCC1 ZINC000481445554 501777884 /nfs/dbraw/zinc/77/78/84/501777884.db2.gz PDMHGPWXROGBKR-UHFFFAOYSA-N -1 3 353.488 3.492 20 0 FGADHM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(C)ccc2Cl)ccc1OC ZINC000474315232 501787601 /nfs/dbraw/zinc/78/76/01/501787601.db2.gz VQCUJUVKUBHZQU-UHFFFAOYSA-N -1 3 369.826 3.244 20 0 FGADHM CC[C@H](Cc1ccccc1Br)NC(=O)c1ccc2n[n-]nc2c1 ZINC000470757962 501793080 /nfs/dbraw/zinc/79/30/80/501793080.db2.gz WHIGCEJKGMNJOM-CYBMUJFWSA-N -1 3 373.254 3.472 20 0 FGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1ccc(OCC(F)(F)F)cc1 ZINC000481641297 501838935 /nfs/dbraw/zinc/83/89/35/501838935.db2.gz PCIAVKAEHXJXDF-UHFFFAOYSA-N -1 3 363.299 3.060 20 0 FGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1ccc(OCC(F)(F)F)cc1 ZINC000481641297 501838941 /nfs/dbraw/zinc/83/89/41/501838941.db2.gz PCIAVKAEHXJXDF-UHFFFAOYSA-N -1 3 363.299 3.060 20 0 FGADHM CC(C)c1nnc(C[N-]S(=O)(=O)c2ccccc2C(C)(C)C)s1 ZINC000467759980 501863118 /nfs/dbraw/zinc/86/31/18/501863118.db2.gz QMBCHTWCXTWDQE-UHFFFAOYSA-N -1 3 353.513 3.438 20 0 FGADHM Cc1nc(C)c(CCC(=O)NCCCCc2ccc(F)c(F)c2)c(=O)[n-]1 ZINC000478052762 501866352 /nfs/dbraw/zinc/86/63/52/501866352.db2.gz HEKDLAUZOVRZNK-UHFFFAOYSA-N -1 3 363.408 3.149 20 0 FGADHM CCc1noc2ncc(C(=O)[N-]c3cc(F)cc(C(=O)OC)c3F)cc12 ZINC000478092250 501879529 /nfs/dbraw/zinc/87/95/29/501879529.db2.gz ZNXJQSPPUUIIFW-UHFFFAOYSA-N -1 3 361.304 3.102 20 0 FGADHM CN(C)Cc1ccsc1C(=O)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1 ZINC000467811689 501881934 /nfs/dbraw/zinc/88/19/34/501881934.db2.gz NVWMSLNCIARNLC-UHFFFAOYSA-N -1 3 362.405 3.152 20 0 FGADHM Cc1cc(F)c(S(=O)(=O)[N-][C@H](C)[C@H](c2ccccc2)N(C)C)cc1F ZINC000474578710 501882802 /nfs/dbraw/zinc/88/28/02/501882802.db2.gz LZPQHBVVDCEEIY-FZKQIMNGSA-N -1 3 368.449 3.243 20 0 FGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)CCc1ccc2ccccc2n1 ZINC000485680967 501898488 /nfs/dbraw/zinc/89/84/88/501898488.db2.gz AHBGLHJRHYKXIA-UHFFFAOYSA-N -1 3 369.446 3.178 20 0 FGADHM Cc1cccc(-c2cncc(C(=O)NCc3nnc(C(F)(F)F)[n-]3)c2)c1 ZINC000481887823 501908867 /nfs/dbraw/zinc/90/88/67/501908867.db2.gz CUQHZGYVBZPAKR-UHFFFAOYSA-N -1 3 361.327 3.124 20 0 FGADHM Cc1cccc(-c2cncc(C(=O)NCc3n[n-]c(C(F)(F)F)n3)c2)c1 ZINC000481887823 501908873 /nfs/dbraw/zinc/90/88/73/501908873.db2.gz CUQHZGYVBZPAKR-UHFFFAOYSA-N -1 3 361.327 3.124 20 0 FGADHM Cc1cccc(-c2cncc(C(=O)NCc3nc(C(F)(F)F)n[n-]3)c2)c1 ZINC000481887823 501908879 /nfs/dbraw/zinc/90/88/79/501908879.db2.gz CUQHZGYVBZPAKR-UHFFFAOYSA-N -1 3 361.327 3.124 20 0 FGADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)C1(c2ccc(F)cc2F)CCCC1 ZINC000481921390 501919467 /nfs/dbraw/zinc/91/94/67/501919467.db2.gz LNIHAUXRQHBPKJ-UHFFFAOYSA-N -1 3 374.313 3.230 20 0 FGADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)C1(c2ccc(F)cc2F)CCCC1 ZINC000481921390 501919468 /nfs/dbraw/zinc/91/94/68/501919468.db2.gz LNIHAUXRQHBPKJ-UHFFFAOYSA-N -1 3 374.313 3.230 20 0 FGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)C1(c2ccc(F)cc2F)CCCC1 ZINC000481921390 501919471 /nfs/dbraw/zinc/91/94/71/501919471.db2.gz LNIHAUXRQHBPKJ-UHFFFAOYSA-N -1 3 374.313 3.230 20 0 FGADHM CC(C)(C)C(=O)C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000464197065 501920040 /nfs/dbraw/zinc/92/00/40/501920040.db2.gz VAPRVFVYWWSMEX-UHFFFAOYSA-N -1 3 357.781 3.252 20 0 FGADHM COc1ccccc1C(=O)C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000464203814 501921279 /nfs/dbraw/zinc/92/12/79/501921279.db2.gz CMSXADSXKNOPMZ-UHFFFAOYSA-N -1 3 374.245 3.163 20 0 FGADHM 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502729623 /nfs/dbraw/zinc/72/96/23/502729623.db2.gz MKLPPKHLONSSJW-JTQLQIEISA-N -1 3 367.826 3.000 20 0 FGADHM COc1ccc(S(=O)(=O)[N-]Cc2nc(C(C)(C)C)cs2)c(F)c1 ZINC000481031680 502734483 /nfs/dbraw/zinc/73/44/83/502734483.db2.gz COLJTAOXFTZHFQ-UHFFFAOYSA-N -1 3 358.460 3.067 20 0 FGADHM COc1ccc(OC)c(NC(=O)Cc2ccc(Br)cc2[O-])c1 ZINC000477306870 502736862 /nfs/dbraw/zinc/73/68/62/502736862.db2.gz JKFOBJODVRAZCF-UHFFFAOYSA-N -1 3 366.211 3.353 20 0 FGADHM CCOC(=O)[C@@H]([N-]S(=O)(=O)Cc1ccc2ccccc2c1)[C@H](C)CC ZINC000582633156 506334911 /nfs/dbraw/zinc/33/49/11/506334911.db2.gz MTJPYWWNSAWAQP-KDOFPFPSSA-N -1 3 363.479 3.237 20 0 FGADHM COc1ccc(S(=O)(=O)[N-][C@H]2CCCOc3ccc(F)cc32)c(F)c1 ZINC000481060707 502744627 /nfs/dbraw/zinc/74/46/27/502744627.db2.gz ZWNFMQKNTLGSGD-HNNXBMFYSA-N -1 3 369.389 3.166 20 0 FGADHM COc1ccc(S(=O)(=O)[N-][C@@H](c2nc(C)cs2)C2CC2)c(F)c1 ZINC000481072587 502747572 /nfs/dbraw/zinc/74/75/72/502747572.db2.gz OIENNBFQEYEODS-CQSZACIVSA-N -1 3 356.444 3.029 20 0 FGADHM COC(=O)[C@H]1CCCC[C@@]1(C)[N-]S(=O)(=O)c1cc(C)c(Cl)s1 ZINC000473943725 502758240 /nfs/dbraw/zinc/75/82/40/502758240.db2.gz VJYVBAWZUOACBS-QMTHXVAHSA-N -1 3 365.904 3.110 20 0 FGADHM Cc1ccccc1[C@H]([C@H](C)[N-]S(=O)(=O)c1cccc(F)c1F)N(C)C ZINC000473950298 502760192 /nfs/dbraw/zinc/76/01/92/502760192.db2.gz HNYCBVHXODXUBM-UGSOOPFHSA-N -1 3 368.449 3.243 20 0 FGADHM CCn1nc(C(C)C)cc1C(=O)N=c1nc(-c2ccccc2Cl)[n-]n1C ZINC000484886011 502765724 /nfs/dbraw/zinc/76/57/24/502765724.db2.gz PGJWRURJPHARPW-UHFFFAOYSA-N -1 3 372.860 3.150 20 0 FGADHM Cc1cc(C)cc(OCC[N-]S(=O)(=O)c2cc(F)ccc2Cl)c1 ZINC000488671112 502778222 /nfs/dbraw/zinc/77/82/22/502778222.db2.gz LNCVTVFPYBAEDC-UHFFFAOYSA-N -1 3 357.834 3.453 20 0 FGADHM CC(C)Nc1ncccc1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000488689301 502781513 /nfs/dbraw/zinc/78/15/13/502781513.db2.gz WAFSDTDNJSRFSS-UHFFFAOYSA-N -1 3 364.243 3.300 20 0 FGADHM CO[C@H](C)c1nc(C)c(C(=O)[N-]c2nnc(CC(F)(F)F)s2)s1 ZINC000484959639 502786956 /nfs/dbraw/zinc/78/69/56/502786956.db2.gz AJJJSCLSJMJIRU-ZCFIWIBFSA-N -1 3 366.390 3.368 20 0 FGADHM CC(C)COC[C@H]([N-]S(=O)(=O)c1ccc(N(C)C)cc1)c1ccco1 ZINC000477502344 502791264 /nfs/dbraw/zinc/79/12/64/502791264.db2.gz GWHSVVLEPWTUFP-KRWDZBQOSA-N -1 3 366.483 3.038 20 0 FGADHM COc1ccc(Br)c(S(=O)(=O)[N-][C@H]2CCC[C@@H](C)C2)c1 ZINC000474072610 502798958 /nfs/dbraw/zinc/79/89/58/502798958.db2.gz LBTMYIIXLVSDLM-MNOVXSKESA-N -1 3 362.289 3.315 20 0 FGADHM Cc1cccc(F)c1S(=O)(=O)[N-][C@@H](C)c1ccc(Br)cn1 ZINC000481265117 502800547 /nfs/dbraw/zinc/80/05/47/502800547.db2.gz BSPQWASEUWHBHF-JTQLQIEISA-N -1 3 373.247 3.331 20 0 FGADHM CC[C@H](C)N(C)CCNC(=O)N=c1[n-]nc(-c2cc3ccccc3o2)s1 ZINC000470511600 502800596 /nfs/dbraw/zinc/80/05/96/502800596.db2.gz PQKNDCBHHVDVIE-LBPRGKRZSA-N -1 3 373.482 3.225 20 0 FGADHM Cc1noc2ncc(C(=O)Nc3nnc(-c4cc5ccccc5o4)[n-]3)cc12 ZINC000485103459 502815651 /nfs/dbraw/zinc/81/56/51/502815651.db2.gz IVJAIKWKFOSUHX-UHFFFAOYSA-N -1 3 360.333 3.315 20 0 FGADHM Cc1noc2ncc(C(=O)Nc3nc(-c4cc5ccccc5o4)n[n-]3)cc12 ZINC000485103459 502815652 /nfs/dbraw/zinc/81/56/52/502815652.db2.gz IVJAIKWKFOSUHX-UHFFFAOYSA-N -1 3 360.333 3.315 20 0 FGADHM Cc1noc2ncc(C(=O)Nc3n[n-]c(-c4cc5ccccc5o4)n3)cc12 ZINC000485103459 502815654 /nfs/dbraw/zinc/81/56/54/502815654.db2.gz IVJAIKWKFOSUHX-UHFFFAOYSA-N -1 3 360.333 3.315 20 0 FGADHM Cc1cc(C(=O)Nc2cccc(C[S@@](=O)C3CCOCC3)c2)ccc1[O-] ZINC000500599043 502823228 /nfs/dbraw/zinc/82/32/28/502823228.db2.gz IJZMTTQOFLHWBR-AREMUKBSSA-N -1 3 373.474 3.381 20 0 FGADHM O=C(NCc1ncccc1[O-])Nc1ccc(OCC(F)(F)F)c(F)c1 ZINC000504988241 502835494 /nfs/dbraw/zinc/83/54/94/502835494.db2.gz JIKRHAUXHTXHIY-UHFFFAOYSA-N -1 3 359.279 3.189 20 0 FGADHM COC(=O)[C@H](CNC(=O)c1cccc([O-])c1)Cc1cccc2ccccc21 ZINC000509158390 502836280 /nfs/dbraw/zinc/83/62/80/502836280.db2.gz PFGAOOYEHLBOLU-SFHVURJKSA-N -1 3 363.413 3.307 20 0 FGADHM CC(C)N(C(=O)CCn1[n-]c(=O)c2ccccc2c1=O)c1ccc(F)cc1 ZINC000505078951 502848966 /nfs/dbraw/zinc/84/89/66/502848966.db2.gz WTCJZUGPNZPUFQ-UHFFFAOYSA-N -1 3 369.396 3.073 20 0 FGADHM O=C(c1cc([O-])ccc1Cl)N1CCN[C@H](c2cccc(Cl)c2)C1 ZINC000513100125 502852575 /nfs/dbraw/zinc/85/25/75/502852575.db2.gz HBJMDYKKFCGYHE-INIZCTEOSA-N -1 3 351.233 3.486 20 0 FGADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)CC(C)(C)C3CC3)c2)[n-]1 ZINC000509223854 502853695 /nfs/dbraw/zinc/85/36/95/502853695.db2.gz HWBOGSZBPDHWDG-UHFFFAOYSA-N -1 3 370.453 3.091 20 0 FGADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)CC(C)(C)C3CC3)c2)n[n-]1 ZINC000509223854 502853700 /nfs/dbraw/zinc/85/37/00/502853700.db2.gz HWBOGSZBPDHWDG-UHFFFAOYSA-N -1 3 370.453 3.091 20 0 FGADHM CN(C)Cc1cc(NC(=O)c2csc(=NC3CC3)[n-]2)ccc1Cl ZINC000500748721 502853733 /nfs/dbraw/zinc/85/37/33/502853733.db2.gz IUPOZIOTEYBZBX-UHFFFAOYSA-N -1 3 350.875 3.107 20 0 FGADHM Cc1cc(Br)c(S(=O)(=O)[N-]CCc2ccsc2)s1 ZINC000513139141 502862172 /nfs/dbraw/zinc/86/21/72/502862172.db2.gz ZTKGVQXXCKQNHS-UHFFFAOYSA-N -1 3 366.327 3.402 20 0 FGADHM CN(C(=O)c1cc(F)cc2[n-]nnc21)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000489098125 502878839 /nfs/dbraw/zinc/87/88/39/502878839.db2.gz HSRLHEHQDCTKBF-SJORKVTESA-N -1 3 368.412 3.415 20 0 FGADHM CN(C(=O)c1cc(F)cc2nn[n-]c21)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000489098125 502878843 /nfs/dbraw/zinc/87/88/43/502878843.db2.gz HSRLHEHQDCTKBF-SJORKVTESA-N -1 3 368.412 3.415 20 0 FGADHM CN(C(=O)c1cc(F)cc2n[n-]nc21)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000489098125 502878849 /nfs/dbraw/zinc/87/88/49/502878849.db2.gz HSRLHEHQDCTKBF-SJORKVTESA-N -1 3 368.412 3.415 20 0 FGADHM CCC[C@@H](C(=O)N1CCN(C(=O)c2cccc([O-])c2)CC1)c1ccccc1 ZINC000513245918 502888826 /nfs/dbraw/zinc/88/88/26/502888826.db2.gz NKROWWDMUBBHQQ-HXUWFJFHSA-N -1 3 366.461 3.261 20 0 FGADHM Cc1ccccc1C(C)(C)CNC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000505364172 502893923 /nfs/dbraw/zinc/89/39/23/502893923.db2.gz MDOWRPGZYRTQBI-UHFFFAOYSA-N -1 3 360.479 3.074 20 0 FGADHM CC[C@@H](C)c1nc([C@@H](C)NC(=O)c2ccc(Br)c([O-])c2)n[nH]1 ZINC000489222003 502904292 /nfs/dbraw/zinc/90/42/92/502904292.db2.gz SHEGVVNDLHGCEE-RKDXNWHRSA-N -1 3 367.247 3.277 20 0 FGADHM Cc1ccc(F)c(S(=O)(=O)[N-]Cc2c(F)cccc2N2CCCC2)c1 ZINC000509626442 502952521 /nfs/dbraw/zinc/95/25/21/502952521.db2.gz RQFSVURKDSTYEK-UHFFFAOYSA-N -1 3 366.433 3.352 20 0 FGADHM COc1cccc(C[C@H](C)[N-]S(=O)(=O)c2cccc(Cl)c2F)c1 ZINC000497420185 502955294 /nfs/dbraw/zinc/95/52/94/502955294.db2.gz RWJXGLXTVMRXPZ-NSHDSACASA-N -1 3 357.834 3.397 20 0 FGADHM CSc1ccc(N(C)C(=O)c2ccc([N-]S(C)(=O)=O)cc2)cc1 ZINC000497424662 502956488 /nfs/dbraw/zinc/95/64/88/502956488.db2.gz JPPXEFQEGZIOSG-UHFFFAOYSA-N -1 3 350.465 3.057 20 0 FGADHM C[C@@H](CN(C(=O)c1cc(=O)c2ccccc2[n-]1)[C@@H](C)CO)c1ccccc1 ZINC000489450587 502961252 /nfs/dbraw/zinc/96/12/52/502961252.db2.gz PRIDBKAXNKJQNB-HOTGVXAUSA-N -1 3 364.445 3.155 20 0 FGADHM O=C(Cc1ccc(Br)cc1[O-])NC[C@@H](CO)C1CCCCC1 ZINC000509723429 502975223 /nfs/dbraw/zinc/97/52/23/502975223.db2.gz XRPBIXBVPHOIKS-AWEZNQCLSA-N -1 3 370.287 3.002 20 0 FGADHM O=S(=O)([N-][C@H](CO)CC1CCC1)c1cc(Cl)ccc1C(F)(F)F ZINC000509768031 502982701 /nfs/dbraw/zinc/98/27/01/502982701.db2.gz XTRDUBKZWCISAI-NSHDSACASA-N -1 3 371.808 3.188 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1cnccc1C(F)(F)F)c1ccc(Cl)cn1 ZINC000509782113 502985168 /nfs/dbraw/zinc/98/51/68/502985168.db2.gz KOXSWEBZLGFCEB-MRVPVSSYSA-N -1 3 365.764 3.188 20 0 FGADHM COc1cc(Cl)c(S(=O)(=O)[N-]CC2(C)CCOCC2)cc1Cl ZINC000501334575 502987019 /nfs/dbraw/zinc/98/70/19/502987019.db2.gz SAIJSLKVXOMCLU-UHFFFAOYSA-N -1 3 368.282 3.097 20 0 FGADHM COc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCc3c2cccc3F)c1 ZINC000489683375 503010366 /nfs/dbraw/zinc/01/03/66/503010366.db2.gz WWLQNKPHKVCYOU-OAHLLOKOSA-N -1 3 355.818 3.454 20 0 FGADHM CO[C@H](C[N-]S(=O)(=O)Cc1ccc(Cl)cc1Cl)C(C)(C)C ZINC000501469345 503015098 /nfs/dbraw/zinc/01/50/98/503015098.db2.gz IQYYEHWMFQCQDB-CYBMUJFWSA-N -1 3 354.299 3.474 20 0 FGADHM CC(C)n1cnc(S(=O)(=O)[N-][C@@H](C)c2ccccc2OC(F)F)c1 ZINC000513793028 503024220 /nfs/dbraw/zinc/02/42/20/503024220.db2.gz QNZNTUDMGUSKRF-NSHDSACASA-N -1 3 359.398 3.105 20 0 FGADHM CC[C@@H](C)CCC(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000506005574 503027537 /nfs/dbraw/zinc/02/75/37/503027537.db2.gz ZMFNNSYJIKYPCN-LLVKDONJSA-N -1 3 366.405 3.292 20 0 FGADHM CC1(C)C[C@H]1C[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000489769323 503030624 /nfs/dbraw/zinc/03/06/24/503030624.db2.gz PERGZTYXOSVMLX-QMMMGPOBSA-N -1 3 352.681 3.427 20 0 FGADHM Cc1cc(C(=O)N2CCC[C@@H]2c2cccc(Br)c2)[n-]c(=O)n1 ZINC000489778128 503032131 /nfs/dbraw/zinc/03/21/31/503032131.db2.gz QOEHEXNBCXVDFQ-CQSZACIVSA-N -1 3 362.227 3.230 20 0 FGADHM O=C(NCCCc1c[nH]c2ccc(F)cc12)c1cc(F)cc2nn[n-]c21 ZINC000506218314 503071376 /nfs/dbraw/zinc/07/13/76/503071376.db2.gz YTNNDPYZBSZFTH-UHFFFAOYSA-N -1 3 355.348 3.080 20 0 FGADHM O=C(NCCCc1c[nH]c2ccc(F)cc12)c1cc(F)cc2[n-]nnc21 ZINC000506218314 503071381 /nfs/dbraw/zinc/07/13/81/503071381.db2.gz YTNNDPYZBSZFTH-UHFFFAOYSA-N -1 3 355.348 3.080 20 0 FGADHM O=C(NCCCc1c[nH]c2ccc(F)cc12)c1cc(F)cc2n[n-]nc21 ZINC000506218314 503071385 /nfs/dbraw/zinc/07/13/85/503071385.db2.gz YTNNDPYZBSZFTH-UHFFFAOYSA-N -1 3 355.348 3.080 20 0 FGADHM Cc1cc(S(=O)(=O)[N-][C@H](C(C)C)C2(CO)CCC2)c(Cl)cc1F ZINC000490138321 503115459 /nfs/dbraw/zinc/11/54/59/503115459.db2.gz FOXZBSDDTZVSSR-OAHLLOKOSA-N -1 3 363.882 3.253 20 0 FGADHM Cn1cnc(S(=O)(=O)[N-][C@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)c1 ZINC000510453810 503118505 /nfs/dbraw/zinc/11/85/05/503118505.db2.gz GNAXXAVPSFXWHV-KBPBESRZSA-N -1 3 373.400 3.054 20 0 FGADHM CC[C@@]([N-]S(=O)(=O)c1cc(C)ccc1C)(C(=O)OC)c1ccccc1 ZINC000510471580 503121976 /nfs/dbraw/zinc/12/19/76/503121976.db2.gz JFVOKKANXWAFAY-IBGZPJMESA-N -1 3 361.463 3.060 20 0 FGADHM CCOC(=O)Cc1cccc(S(=O)(=O)[N-]c2cc(Cl)ccc2F)c1 ZINC000506568101 503137025 /nfs/dbraw/zinc/13/70/25/503137025.db2.gz LGRUPFICHPUANT-UHFFFAOYSA-N -1 3 371.817 3.386 20 0 FGADHM C[C@@H]1CSC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000510538155 503137882 /nfs/dbraw/zinc/13/78/82/503137882.db2.gz LHVXWNMSRWFWSG-GMSGAONNSA-N -1 3 370.721 3.132 20 0 FGADHM CCc1c(NC(=O)c2ccc(C(=O)OC)[n-]2)cnn1-c1ccc(Cl)cc1 ZINC000506634913 503147167 /nfs/dbraw/zinc/14/71/67/503147167.db2.gz UVRVBENJDPOPCI-UHFFFAOYSA-N -1 3 372.812 3.455 20 0 FGADHM COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-]Cc1occc1C ZINC000490294986 503148646 /nfs/dbraw/zinc/14/86/46/503148646.db2.gz YQWBYCYDXHOCDB-UHFFFAOYSA-N -1 3 373.858 3.135 20 0 FGADHM CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC)cc2C)ccc1C ZINC000506662987 503152295 /nfs/dbraw/zinc/15/22/95/503152295.db2.gz UMQKRBMMPPWCOG-UHFFFAOYSA-N -1 3 363.435 3.290 20 0 FGADHM COCC(C)(C)C[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000490315322 503153163 /nfs/dbraw/zinc/15/31/63/503153163.db2.gz KZLJFCFQPGDHJW-UHFFFAOYSA-N -1 3 370.696 3.053 20 0 FGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F)c1ccncc1F ZINC000510635968 503161245 /nfs/dbraw/zinc/16/12/45/503161245.db2.gz ZAGVKJAEYAWXBC-MRVPVSSYSA-N -1 3 366.311 3.418 20 0 FGADHM Cc1n[nH]c(C)c1[C@H](C)CC(=O)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1 ZINC000490394089 503166860 /nfs/dbraw/zinc/16/68/60/503166860.db2.gz AEDCVJVZTMYUHZ-SECBINFHSA-N -1 3 359.380 3.249 20 0 FGADHM CCCCCc1ccc(NC(=O)c2cncc([N-]S(C)(=O)=O)c2)cc1 ZINC000502270979 503171349 /nfs/dbraw/zinc/17/13/49/503171349.db2.gz ZINXAEOBKFQWMP-UHFFFAOYSA-N -1 3 361.467 3.438 20 0 FGADHM CS(=O)(=O)[N-]c1cncc(C(=O)Nc2ccc(Cl)c(Cl)c2)c1 ZINC000502277921 503173541 /nfs/dbraw/zinc/17/35/41/503173541.db2.gz KNVBPZICDSXLMG-UHFFFAOYSA-N -1 3 360.222 3.012 20 0 FGADHM O=S(=O)([N-][C@@H]1CCCc2sc(Cl)cc21)c1cn2c(n1)CCCC2 ZINC000490437345 503174607 /nfs/dbraw/zinc/17/46/07/503174607.db2.gz OODZYKCWZCRKNS-LLVKDONJSA-N -1 3 371.915 3.290 20 0 FGADHM O=S(=O)([N-][C@@H]1CCN(c2ccccc2F)C1)c1ccc(Cl)cc1F ZINC000490444474 503175659 /nfs/dbraw/zinc/17/56/59/503175659.db2.gz DDEPSHWTWOLIIS-GFCCVEGCSA-N -1 3 372.824 3.175 20 0 FGADHM CCC[C@@]1(CO)CCN([C@H](C(=O)[O-])c2cccc(Br)c2)C1 ZINC000514735452 503179864 /nfs/dbraw/zinc/17/98/64/503179864.db2.gz DHZIXJBWBLVILD-GOEBONIOSA-N -1 3 356.260 3.059 20 0 FGADHM O=S(=O)([N-]c1ccc(OCCN2CCCCC2)cc1)c1ccsc1 ZINC000506850121 503184094 /nfs/dbraw/zinc/18/40/94/503184094.db2.gz 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COc1cc(CNC(=O)c2cccc3[n-]nnc32)ccc1OC1CCCC1 ZINC000527116121 503685939 /nfs/dbraw/zinc/68/59/39/503685939.db2.gz XPECJTCTYATEKP-UHFFFAOYSA-N -1 3 366.421 3.218 20 0 FGADHM COc1cc(CNC(=O)c2cccc3n[n-]nc32)ccc1OC1CCCC1 ZINC000527116121 503685943 /nfs/dbraw/zinc/68/59/43/503685943.db2.gz XPECJTCTYATEKP-UHFFFAOYSA-N -1 3 366.421 3.218 20 0 FGADHM CCCCOc1ccc(C(=O)N2CC3CC2(c2nc(C)no2)C3)c([O-])c1 ZINC000529745182 503689736 /nfs/dbraw/zinc/68/97/36/503689736.db2.gz OLIMFEXOCLVSCI-UHFFFAOYSA-N -1 3 357.410 3.024 20 0 FGADHM Cc1cc(S(=O)(=O)[N-][C@H](c2ccccc2)[C@H]2CCOC2)c(F)cc1F ZINC000536755741 503713261 /nfs/dbraw/zinc/71/32/61/503713261.db2.gz HIURSTBNKHALCF-KBXCAEBGSA-N -1 3 367.417 3.329 20 0 FGADHM Cc1ncc(CNC(=O)Nc2ccc(C(F)(F)F)cc2Cl)c(=O)[n-]1 ZINC000543301850 503715949 /nfs/dbraw/zinc/71/59/49/503715949.db2.gz JBEIQJOPZOOCBQ-UHFFFAOYSA-N -1 3 360.723 3.485 20 0 FGADHM CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)c1 ZINC000527209064 503720239 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CCCCOc1ccc(CC[N-]S(=O)(=O)c2cnc(C)s2)cc1 ZINC000533174940 503749667 /nfs/dbraw/zinc/74/96/67/503749667.db2.gz RLSSWQMMKAXGDS-UHFFFAOYSA-N -1 3 354.497 3.151 20 0 FGADHM O=S(=O)([N-]C[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1cncc(Cl)c1 ZINC000533176154 503750029 /nfs/dbraw/zinc/75/00/29/503750029.db2.gz PXMJNFCKNMFFER-NXEZZACHSA-N -1 3 356.797 3.382 20 0 FGADHM O=S(=O)([N-]Cc1cccc(-c2ccccn2)c1)c1cncc(Cl)c1 ZINC000533176604 503750709 /nfs/dbraw/zinc/75/07/09/503750709.db2.gz NYTVHRUSZSGLMZ-UHFFFAOYSA-N -1 3 359.838 3.276 20 0 FGADHM Cc1ccc([O-])c(NC(=O)c2nn(-c3ccc(F)c(F)c3)c3c2CCC3)n1 ZINC000543391978 503750812 /nfs/dbraw/zinc/75/08/12/503750812.db2.gz DMWGZZGNJWAYGP-UHFFFAOYSA-N -1 3 370.359 3.301 20 0 FGADHM CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3=O)cc2)cc1 ZINC000536904140 503757103 /nfs/dbraw/zinc/75/71/03/503757103.db2.gz GUEVKXNPQBWJHY-UHFFFAOYSA-N -1 3 374.462 3.401 20 0 FGADHM CCCCn1cc(C[N-]S(=O)(=O)c2cc(OC)ccc2Cl)c(C)n1 ZINC000536905253 503757544 /nfs/dbraw/zinc/75/75/44/503757544.db2.gz 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/nfs/dbraw/zinc/09/00/22/505090022.db2.gz RBKHYLVQYBQTLN-UHFFFAOYSA-N -1 3 351.859 3.300 20 0 FGADHM COC[C@@]1(C(=O)[O-])CCN(Cc2cc(Cl)ccc2OCC2CC2)C1 ZINC000563281046 505094913 /nfs/dbraw/zinc/09/49/13/505094913.db2.gz VRDHMVZOURBNAH-GOSISDBHSA-N -1 3 353.846 3.052 20 0 FGADHM Cc1oc(C(=O)[O-])cc1CN1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000563281836 505095308 /nfs/dbraw/zinc/09/53/08/505095308.db2.gz JKEOXKWSEDBPLM-UHFFFAOYSA-N -1 3 357.332 3.339 20 0 FGADHM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)C[C@H](C)COC2CCCC2)o1 ZINC000563326093 505109800 /nfs/dbraw/zinc/10/98/00/505109800.db2.gz QWLCSZVPTOJNRC-RHSMWYFYSA-N -1 3 373.515 3.044 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)c1cnc(NC(C)=O)s1)c1ccc(Cl)cc1 ZINC000550829614 505111250 /nfs/dbraw/zinc/11/12/50/505111250.db2.gz YRZPKKXQFYNSDX-LBPRGKRZSA-N -1 3 373.887 3.185 20 0 FGADHM CC(=O)c1cccc(NC(=O)c2n[nH]c(C(C)C)c2Br)c1[O-] ZINC000560551162 505123690 /nfs/dbraw/zinc/12/36/90/505123690.db2.gz SOOBDTVHGZVKGG-UHFFFAOYSA-N -1 3 366.215 3.456 20 0 FGADHM COc1cc(F)c(CN[C@H](CCC(=O)[O-])Cc2ccccc2)cc1OC ZINC000566298965 505138134 /nfs/dbraw/zinc/13/81/34/505138134.db2.gz LNJCDSXOSUMKAU-MRXNPFEDSA-N -1 3 361.413 3.409 20 0 FGADHM Cc1ccc2[n-]cc(C(=O)N(Cc3cc[nH]n3)Cc3ccccc3)c(=O)c2c1 ZINC000557501707 505151238 /nfs/dbraw/zinc/15/12/38/505151238.db2.gz HAOGFPVCXUIJTI-UHFFFAOYSA-N -1 3 372.428 3.402 20 0 FGADHM CN(CC(=O)N1CCC(C(=O)[O-])CC1)CC1CCC(c2ccccc2)CC1 ZINC000566361318 505152048 /nfs/dbraw/zinc/15/20/48/505152048.db2.gz ILVMKGZUAIWYKS-UHFFFAOYSA-N -1 3 372.509 3.215 20 0 FGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)c2ccn(C)c2C2CCC2)c1 ZINC000551093705 505156636 /nfs/dbraw/zinc/15/66/36/505156636.db2.gz NLHORGUYXVFWNG-UHFFFAOYSA-N -1 3 361.467 3.225 20 0 FGADHM CN(C)[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1F)c1ccccc1 ZINC000551095500 505156939 /nfs/dbraw/zinc/15/69/39/505156939.db2.gz KPFKKBPIJFPDAW-HNNXBMFYSA-N -1 3 356.850 3.060 20 0 FGADHM CCOc1cc(C(=O)[N-]c2ccc(Br)c(C3CC3)n2)on1 ZINC000560667026 505157081 /nfs/dbraw/zinc/15/70/81/505157081.db2.gz XPNASIUBBGUVNE-UHFFFAOYSA-N -1 3 352.188 3.361 20 0 FGADHM CCCOc1ccc(C(C)(C)NC(=O)c2c[n-]c3ccncc3c2=O)cc1 ZINC000566405186 505165719 /nfs/dbraw/zinc/16/57/19/505165719.db2.gz XWQNIGJQLKKALR-UHFFFAOYSA-N -1 3 365.433 3.377 20 0 FGADHM CC[C@H]([N-]S(=O)(=O)c1cc(C(C)C)ccc1Cl)[C@@H](O)C(F)(F)F ZINC000551160461 505168090 /nfs/dbraw/zinc/16/80/90/505168090.db2.gz LWQIXXUYOKZZCS-WCQYABFASA-N -1 3 373.824 3.444 20 0 FGADHM O=C(N=c1cc2ccccn2[n-]1)N[C@H]1C[C@H]1c1cccc(Br)c1 ZINC000554411206 505168947 /nfs/dbraw/zinc/16/89/47/505168947.db2.gz VALFEKPUIBZCKP-GJZGRUSLSA-N -1 3 371.238 3.196 20 0 FGADHM COc1ccc(-c2nc(SCc3cc(=O)[n-]c(C4CC4)n3)n[nH]2)cc1 ZINC000560781698 505184924 /nfs/dbraw/zinc/18/49/24/505184924.db2.gz MFBDLKLNTAYTAO-UHFFFAOYSA-N -1 3 355.423 3.146 20 0 FGADHM CC[C@](NC(=O)CCCc1ccc([O-])c(F)c1)(C(=O)OC)c1ccccc1 ZINC000557638402 505190065 /nfs/dbraw/zinc/19/00/65/505190065.db2.gz IPKHGNKTCZMBIX-OAQYLSRUSA-N -1 3 373.424 3.449 20 0 FGADHM CC1CCC(N2C[C@@H](C(=O)Nc3c([O-])cccc3Cl)CC2=O)CC1 ZINC000560819479 505193109 /nfs/dbraw/zinc/19/31/09/505193109.db2.gz DVKJAJLSGUCYMB-CPCZMJQVSA-N -1 3 350.846 3.411 20 0 FGADHM COc1ccc(OC)c([C@H]2CCCN2C(=O)N=c2cc3ccccn3[n-]2)c1 ZINC000554527297 505197704 /nfs/dbraw/zinc/19/77/04/505197704.db2.gz SIVCKCCUHPNNMR-QGZVFWFLSA-N -1 3 366.421 3.142 20 0 FGADHM COc1ccc2c(c1)[n-]cc(C(=O)N1CCC[C@@H]1c1csc(C)n1)c2=O ZINC000566548362 505202338 /nfs/dbraw/zinc/20/23/38/505202338.db2.gz DWSUKOSCORCMTJ-QGZVFWFLSA-N -1 3 369.446 3.279 20 0 FGADHM Cc1ccc2ncc(C(=O)[O-])c(N3CC[C@@H](C(F)(F)F)[C@@H](CO)C3)c2c1 ZINC000566563682 505207674 /nfs/dbraw/zinc/20/76/74/505207674.db2.gz KDOBYLQDWJDVDW-BXUZGUMPSA-N -1 3 368.355 3.239 20 0 FGADHM Cc1cc(Cn2nnc(C(=O)[N-]c3c(F)cc(Cl)cc3F)c2C)no1 ZINC000566584393 505212654 /nfs/dbraw/zinc/21/26/54/505212654.db2.gz GQQBNRJROALKEQ-UHFFFAOYSA-N -1 3 367.743 3.115 20 0 FGADHM O=C([N-]c1ccc2c(c1F)CCNC2=O)c1cc(-c2cccc(F)c2)no1 ZINC000551376470 505212781 /nfs/dbraw/zinc/21/27/81/505212781.db2.gz LPULVNACNNEHKU-UHFFFAOYSA-N -1 3 369.327 3.158 20 0 FGADHM Cc1ccc(C(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)c(Br)c1 ZINC000563694935 505213816 /nfs/dbraw/zinc/21/38/16/505213816.db2.gz RMXOTJPLMLCREG-CYBMUJFWSA-N -1 3 350.216 3.006 20 0 FGADHM COc1ccc(CN(CC2CC2)C(=O)c2cccc3[n-]nnc32)c(OC)c1 ZINC000554591216 505215371 /nfs/dbraw/zinc/21/53/71/505215371.db2.gz RAAWFUKTEMUIQH-UHFFFAOYSA-N -1 3 366.421 3.028 20 0 FGADHM COc1ccc(CN(CC2CC2)C(=O)c2cccc3nn[n-]c32)c(OC)c1 ZINC000554591216 505215375 /nfs/dbraw/zinc/21/53/75/505215375.db2.gz RAAWFUKTEMUIQH-UHFFFAOYSA-N -1 3 366.421 3.028 20 0 FGADHM COc1ccc(CN(CC2CC2)C(=O)c2cccc3n[n-]nc32)c(OC)c1 ZINC000554591216 505215380 /nfs/dbraw/zinc/21/53/80/505215380.db2.gz RAAWFUKTEMUIQH-UHFFFAOYSA-N -1 3 366.421 3.028 20 0 FGADHM COC[C@@](C)(NCc1cc(Br)cc(C(F)(F)F)c1)C(=O)[O-] ZINC000551422959 505223505 /nfs/dbraw/zinc/22/35/05/505223505.db2.gz LTVMUMYMLXMDKY-GFCCVEGCSA-N -1 3 370.165 3.047 20 0 FGADHM Cc1cccc(S(=O)(=O)[N-][C@H](c2cccs2)C(C)(C)CO)c1F ZINC000563752399 505228892 /nfs/dbraw/zinc/22/88/92/505228892.db2.gz DRTUGGYEPMYNHX-OAHLLOKOSA-N -1 3 357.472 3.234 20 0 FGADHM COc1cccc2c1[C@H](C(=O)Nc1cc(C)ccc1[N-]S(C)(=O)=O)CC2 ZINC000551456815 505230750 /nfs/dbraw/zinc/23/07/50/505230750.db2.gz SUYKLFUSCFUDBY-CQSZACIVSA-N -1 3 374.462 3.044 20 0 FGADHM COc1cc2c(cc1F)[n-]cc(C(=O)N1CC(C3CCCCC3)C1)c2=O ZINC000554644487 505231295 /nfs/dbraw/zinc/23/12/95/505231295.db2.gz OIXYIVSYNVDHBM-UHFFFAOYSA-N -1 3 358.413 3.328 20 0 FGADHM COCc1ccccc1CS(=O)(=O)[N-]Cc1nc(C(C)C)cs1 ZINC000557842129 505244961 /nfs/dbraw/zinc/24/49/61/505244961.db2.gz HRBUBPICTQEWKY-UHFFFAOYSA-N -1 3 354.497 3.033 20 0 FGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCCc3nn(C)cc32)c1Cl ZINC000554706702 505245024 /nfs/dbraw/zinc/24/50/24/505245024.db2.gz IFMKIUIXDSZMCN-ZDUSSCGKSA-N -1 3 374.293 3.391 20 0 FGADHM O=S(=O)([N-]Cc1noc(-c2cccs2)n1)c1ccc(F)cc1Cl ZINC000557883645 505254343 /nfs/dbraw/zinc/25/43/43/505254343.db2.gz JBXUFZMHYCCTES-UHFFFAOYSA-N -1 3 373.818 3.069 20 0 FGADHM O=C(N=c1cc2ccccn2[n-]1)c1cccc(NC(=O)c2cccs2)c1 ZINC000561152720 505264926 /nfs/dbraw/zinc/26/49/26/505264926.db2.gz FJPXPPJFWXWMHU-UHFFFAOYSA-N -1 3 362.414 3.322 20 0 FGADHM O=C(NCc1cccc(OCc2ccccc2)c1)c1cccc2nn[n-]c21 ZINC000557926892 505265065 /nfs/dbraw/zinc/26/50/65/505265065.db2.gz HPWVJRQPLVIETR-UHFFFAOYSA-N -1 3 358.401 3.467 20 0 FGADHM O=C(NCc1cccc(OCc2ccccc2)c1)c1cccc2[n-]nnc21 ZINC000557926892 505265066 /nfs/dbraw/zinc/26/50/66/505265066.db2.gz HPWVJRQPLVIETR-UHFFFAOYSA-N -1 3 358.401 3.467 20 0 FGADHM O=C(NCc1cccc(OCc2ccccc2)c1)c1cccc2n[n-]nc21 ZINC000557926892 505265067 /nfs/dbraw/zinc/26/50/67/505265067.db2.gz HPWVJRQPLVIETR-UHFFFAOYSA-N -1 3 358.401 3.467 20 0 FGADHM CCc1cccc(C(=O)N(CCNC(C)=O)Cc2ccc(C)s2)c1[O-] ZINC000554809302 505270295 /nfs/dbraw/zinc/27/02/95/505270295.db2.gz LQIDOHKTBPFAAS-UHFFFAOYSA-N -1 3 360.479 3.103 20 0 FGADHM CN(C(=O)c1ccc2n[n-]nc2c1)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000557962184 505273082 /nfs/dbraw/zinc/27/30/82/505273082.db2.gz NGHRVBUYWHWLLS-ZWKOTPCHSA-N -1 3 350.422 3.276 20 0 FGADHM O=C(Nc1ccc2[nH]c(C3CCC3)nc2c1)c1c[n-]c2ccncc2c1=O ZINC000561207407 505280903 /nfs/dbraw/zinc/28/09/03/505280903.db2.gz BYESJTQBGAQVIZ-UHFFFAOYSA-N -1 3 359.389 3.319 20 0 FGADHM Cc1ccc2[n-]cc(C(=O)N3CCCC[C@@H]3C(=O)OC(C)(C)C)c(=O)c2c1 ZINC000561228138 505286869 /nfs/dbraw/zinc/28/68/69/505286869.db2.gz LOXJCJOQJGHWSK-QGZVFWFLSA-N -1 3 370.449 3.173 20 0 FGADHM CCOC(=O)c1nnc(-c2cccc(CN[C@H](C)c3cc(C)ccn3)c2)[n-]1 ZINC000554878851 505287970 /nfs/dbraw/zinc/28/79/70/505287970.db2.gz HEHWBLSIOIDFQC-CQSZACIVSA-N -1 3 365.437 3.203 20 0 FGADHM CCOC(=O)c1nc(-c2cccc(CN[C@H](C)c3cc(C)ccn3)c2)n[n-]1 ZINC000554878851 505287974 /nfs/dbraw/zinc/28/79/74/505287974.db2.gz HEHWBLSIOIDFQC-CQSZACIVSA-N -1 3 365.437 3.203 20 0 FGADHM CCOC(=O)c1n[n-]c(-c2cccc(CN[C@H](C)c3cc(C)ccn3)c2)n1 ZINC000554878851 505287978 /nfs/dbraw/zinc/28/79/78/505287978.db2.gz HEHWBLSIOIDFQC-CQSZACIVSA-N -1 3 365.437 3.203 20 0 FGADHM O=C(Nc1ccc(Oc2cccnc2)cc1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000564010125 505301950 /nfs/dbraw/zinc/30/19/50/505301950.db2.gz CLCHFADKFGQLKQ-UHFFFAOYSA-N -1 3 359.341 3.010 20 0 FGADHM C[C@H]1C[C@@H]1C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC000558080928 505302852 /nfs/dbraw/zinc/30/28/52/505302852.db2.gz DPTJKJDGSXONEA-JGVFFNPUSA-N -1 3 372.206 3.402 20 0 FGADHM C[C@H](Cc1ccccc1C(F)(F)F)NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000561317862 505312876 /nfs/dbraw/zinc/31/28/76/505312876.db2.gz WRHBCYRHTMLFIP-SNVBAGLBSA-N -1 3 365.355 3.439 20 0 FGADHM O=C(Cc1ccc(Br)cc1[O-])N[C@H]1CCc2ccccc2C1 ZINC000566928244 505313894 /nfs/dbraw/zinc/31/38/94/505313894.db2.gz KJYFIONEVJCPNY-INIZCTEOSA-N -1 3 360.251 3.371 20 0 FGADHM COC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000561348544 505321675 /nfs/dbraw/zinc/32/16/75/505321675.db2.gz NIFJDMIHYPXVSN-OAHLLOKOSA-N -1 3 373.424 3.444 20 0 FGADHM O=C([O-])[C@@H]1CN(Cc2ccc(C(F)(F)F)cn2)C[C@H]1c1ccccc1 ZINC000567048313 505348497 /nfs/dbraw/zinc/34/84/97/505348497.db2.gz YZBHUCDJSZJDQJ-JKSUJKDBSA-N -1 3 350.340 3.401 20 0 FGADHM Cc1c(Cl)cncc1[N-]S(=O)(=O)CCCOCc1ccccc1 ZINC000567060731 505352704 /nfs/dbraw/zinc/35/27/04/505352704.db2.gz BDXSYPWRLTXIFG-UHFFFAOYSA-N -1 3 354.859 3.392 20 0 FGADHM Cn1cc(Br)c(=NC(=O)C(C)(C)c2cccc(Cl)c2)[n-]1 ZINC000564216419 505355259 /nfs/dbraw/zinc/35/52/59/505355259.db2.gz WCHDOXWSXMJUBZ-UHFFFAOYSA-N -1 3 356.651 3.174 20 0 FGADHM CC1(C)CCC[C@@H]1c1nc(-c2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)no1 ZINC000567082846 505358878 /nfs/dbraw/zinc/35/88/78/505358878.db2.gz XDFPNFCPHFUACX-BFUOFWGJSA-N -1 3 354.410 3.085 20 0 FGADHM C[C@H](NC(=O)N=c1nc(C(C)(C)C)[n-]s1)[C@H](c1ccccc1)N(C)C ZINC000558322608 505359947 /nfs/dbraw/zinc/35/99/47/505359947.db2.gz KCRGITXKXSNDOM-GXTWGEPZSA-N -1 3 361.515 3.070 20 0 FGADHM CCCC[C@H]([N-]S(=O)(=O)c1c(C)oc(C)c1C(=O)OC)C1CCC1 ZINC000564250793 505363310 /nfs/dbraw/zinc/36/33/10/505363310.db2.gz FFHNCYDPJZJWLY-AWEZNQCLSA-N -1 3 357.472 3.320 20 0 FGADHM O=S(=O)([N-][C@@H]1CC[C@H](F)C1)c1ccc(Cl)cc1Br ZINC000561548606 505374477 /nfs/dbraw/zinc/37/44/77/505374477.db2.gz HHXIUNNFZMSLBL-DTWKUNHWSA-N -1 3 356.644 3.271 20 0 FGADHM Cc1cc(C(=O)N2CCC[C@H]2c2nc(=N)n(C)[n-]2)c(C)n1C1CCCCC1 ZINC000564294766 505374483 /nfs/dbraw/zinc/37/44/83/505374483.db2.gz KGAGVWIMSFDBBL-KRWDZBQOSA-N -1 3 370.501 3.129 20 0 FGADHM C[C@@H]1Oc2cc(F)ccc2[C@@H]1[N-]S(=O)(=O)c1cccc2cnccc21 ZINC000561559605 505377282 /nfs/dbraw/zinc/37/72/82/505377282.db2.gz RSZCPNHUGMJIKY-BBATYDOGSA-N -1 3 358.394 3.174 20 0 FGADHM CCc1coc(NC(=O)c2cnc3ccc(Br)cc3c2[O-])n1 ZINC000552042819 505378880 /nfs/dbraw/zinc/37/88/80/505378880.db2.gz FBIRSECFBHMLPP-UHFFFAOYSA-N -1 3 362.183 3.093 20 0 FGADHM Cc1ccccc1[C@@H]([C@H](C)N=c1[n-]nc(C2CCOCC2)s1)N(C)C ZINC000555208371 505379584 /nfs/dbraw/zinc/37/95/84/505379584.db2.gz HJLRLYJAYLQOTA-WMLDXEAASA-N -1 3 360.527 3.266 20 0 FGADHM CC(=O)c1cccc(NC(=O)Cc2ccc(NC(=O)C3CC3)cc2)c1[O-] ZINC000567169224 505383809 /nfs/dbraw/zinc/38/38/09/505383809.db2.gz JQMDKTPQHGRTHD-UHFFFAOYSA-N -1 3 352.390 3.125 20 0 FGADHM C[C@@H]1CCn2ncc(C(=O)Nc3nnc(-c4cc5ccccc5o4)[n-]3)c2C1 ZINC000564335594 505387445 /nfs/dbraw/zinc/38/74/45/505387445.db2.gz PDAOVIJMRXPCDH-LLVKDONJSA-N -1 3 362.393 3.249 20 0 FGADHM C[C@@H]1CCn2ncc(C(=O)Nc3nc(-c4cc5ccccc5o4)n[n-]3)c2C1 ZINC000564335594 505387448 /nfs/dbraw/zinc/38/74/48/505387448.db2.gz PDAOVIJMRXPCDH-LLVKDONJSA-N -1 3 362.393 3.249 20 0 FGADHM C[C@@H]1CCn2ncc(C(=O)Nc3n[n-]c(-c4cc5ccccc5o4)n3)c2C1 ZINC000564335594 505387451 /nfs/dbraw/zinc/38/74/51/505387451.db2.gz PDAOVIJMRXPCDH-LLVKDONJSA-N -1 3 362.393 3.249 20 0 FGADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC[C@@](CO)(C(C)C)C3)nc2)n1 ZINC000555251325 505391600 /nfs/dbraw/zinc/39/16/00/505391600.db2.gz WQMRPTGFRXHLMS-HXUWFJFHSA-N -1 3 356.470 3.042 20 0 FGADHM C[C@H]1Oc2ccccc2[C@@H]1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000564370950 505397753 /nfs/dbraw/zinc/39/77/53/505397753.db2.gz PPQUUJUYAFLLCT-AMIZOPFISA-N -1 3 374.281 3.311 20 0 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CO[C@H]1CCCC[C@H]1C(=O)Nc1nnc(-c2ccc3ccccc3n2)[n-]1 ZINC000615120346 507760208 /nfs/dbraw/zinc/76/02/08/507760208.db2.gz XFQFLHASCYUTNQ-CJNGLKHVSA-N -1 3 351.410 3.164 20 0 FGADHM CO[C@H]1CCCC[C@H]1C(=O)Nc1nc(-c2ccc3ccccc3n2)n[n-]1 ZINC000615120346 507760216 /nfs/dbraw/zinc/76/02/16/507760216.db2.gz XFQFLHASCYUTNQ-CJNGLKHVSA-N -1 3 351.410 3.164 20 0 FGADHM CO[C@H]1CCCC[C@H]1C(=O)Nc1n[n-]c(-c2ccc3ccccc3n2)n1 ZINC000615120346 507760236 /nfs/dbraw/zinc/76/02/36/507760236.db2.gz XFQFLHASCYUTNQ-CJNGLKHVSA-N -1 3 351.410 3.164 20 0 FGADHM COC(=O)c1cc(Cl)cc(NC(=O)[C@H]2CCC(=O)[C@H](C)C2(C)C)c1[O-] ZINC000588096371 507760425 /nfs/dbraw/zinc/76/04/25/507760425.db2.gz AFXDYJFUCOCOQL-JOYOIKCWSA-N -1 3 367.829 3.412 20 0 FGADHM COC(=O)c1cc(Cl)cc(NC(=O)Cc2cc(F)ccc2F)c1[O-] ZINC000588097458 507760968 /nfs/dbraw/zinc/76/09/68/507760968.db2.gz OJMSJFHGFBNNLB-UHFFFAOYSA-N -1 3 355.724 3.292 20 0 FGADHM C[C@H]1CCCc2ncc(C(=O)Nc3nnc(-c4ccc5ccccc5n4)[n-]3)n21 ZINC000615124353 507762079 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AVHWKQASMHZUPZ-UHFFFAOYSA-N -1 3 373.416 3.077 20 0 FGADHM O=C(COc1ccc(Br)cc1)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000525966845 562261498 /nfs/dbraw/zinc/26/14/98/562261498.db2.gz ZVHJUZCKJOIDER-ZDUSSCGKSA-N -1 3 366.215 3.041 20 0 FGADHM CC(C)(O)CC(=O)N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1 ZINC000471965172 561015302 /nfs/dbraw/zinc/01/53/02/561015302.db2.gz KQIKDKPBHVLMEJ-UHFFFAOYSA-N -1 3 356.195 3.078 20 0 FGADHM CCCOc1cc(OC)ccc1C(=O)N=c1cc(OC(F)F)n(C)[n-]1 ZINC000474360627 561072188 /nfs/dbraw/zinc/07/21/88/561072188.db2.gz ASQYCJMACSQZDC-UHFFFAOYSA-N -1 3 355.341 3.071 20 0 FGADHM Cc1sc(Br)cc1S(=O)(=O)[N-]CCC(F)(F)F ZINC000094871231 568151428 /nfs/dbraw/zinc/15/14/28/568151428.db2.gz QHWKNXIZBDGZFO-UHFFFAOYSA-N -1 3 352.197 3.050 20 0 FGADHM CCc1ocnc1C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCCC2 ZINC000736714651 598831178 /nfs/dbraw/zinc/83/11/78/598831178.db2.gz YSGVWYDUVPNCCP-UHFFFAOYSA-N -1 3 372.454 3.390 20 0 FGADHM CCc1ocnc1C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCCC2 ZINC000736714651 598831179 /nfs/dbraw/zinc/83/11/79/598831179.db2.gz YSGVWYDUVPNCCP-UHFFFAOYSA-N -1 3 372.454 3.390 20 0 FGADHM CCCCSCCC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000736462203 598831762 /nfs/dbraw/zinc/83/17/62/598831762.db2.gz CAYDXFGLRORVOL-UHFFFAOYSA-N -1 3 371.413 3.330 20 0 FGADHM CCCCSCCC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000736462203 598831764 /nfs/dbraw/zinc/83/17/64/598831764.db2.gz CAYDXFGLRORVOL-UHFFFAOYSA-N -1 3 371.413 3.330 20 0 FGADHM O=C(CC(F)(F)F)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000737807087 598836460 /nfs/dbraw/zinc/83/64/60/598836460.db2.gz JTWISKKZIKMFDA-UHFFFAOYSA-N -1 3 367.356 3.164 20 0 FGADHM CC(C)[C@H](C)CNC(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000735699596 598836871 /nfs/dbraw/zinc/83/68/71/598836871.db2.gz AQVRGZKVXXSCHH-CYBMUJFWSA-N -1 3 369.425 3.061 20 0 FGADHM CC(C)[C@H](C)CNC(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000735699596 598836873 /nfs/dbraw/zinc/83/68/73/598836873.db2.gz AQVRGZKVXXSCHH-CYBMUJFWSA-N -1 3 369.425 3.061 20 0 FGADHM C[C@H]1CC(NC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)C[C@H](C)C1 ZINC000736223465 598838312 /nfs/dbraw/zinc/83/83/12/598838312.db2.gz ITXFGNZMBJHBRP-CHWSQXEVSA-N -1 3 359.499 3.041 20 0 FGADHM C[C@H]1CC(NC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)C[C@H](C)C1 ZINC000736223465 598838316 /nfs/dbraw/zinc/83/83/16/598838316.db2.gz ITXFGNZMBJHBRP-CHWSQXEVSA-N -1 3 359.499 3.041 20 0 FGADHM CCCN(CCc1cccc(F)c1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000736479352 598838544 /nfs/dbraw/zinc/83/85/44/598838544.db2.gz JHIYWRKGAXNPLE-UHFFFAOYSA-N -1 3 368.416 3.492 20 0 FGADHM CCCN(CCc1cccc(F)c1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000736479352 598838545 /nfs/dbraw/zinc/83/85/45/598838545.db2.gz JHIYWRKGAXNPLE-UHFFFAOYSA-N -1 3 368.416 3.492 20 0 FGADHM Clc1cccc2c1CCN(Cc1cn3ccccc3c1-c1nnn[n-]1)C2 ZINC000737576133 598865234 /nfs/dbraw/zinc/86/52/34/598865234.db2.gz WUVJGWUIEOTXCN-UHFFFAOYSA-N -1 3 364.840 3.331 20 0 FGADHM COC(=O)[C@@H](Nc1ccc(C(C)(C)C)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736899238 598878969 /nfs/dbraw/zinc/87/89/69/598878969.db2.gz UVTRDTBWNLYZAY-KRWDZBQOSA-N -1 3 365.437 3.490 20 0 FGADHM COC(=O)[C@@H](Nc1ccc(C(C)(C)C)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736899238 598878970 /nfs/dbraw/zinc/87/89/70/598878970.db2.gz UVTRDTBWNLYZAY-KRWDZBQOSA-N -1 3 365.437 3.490 20 0 FGADHM COC(=O)[C@@H](NCCCC1CCCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736898175 598881762 /nfs/dbraw/zinc/88/17/62/598881762.db2.gz UWDWATLRCKXLHK-KRWDZBQOSA-N -1 3 357.458 3.031 20 0 FGADHM COC(=O)[C@@H](NCCCC1CCCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736898175 598881763 /nfs/dbraw/zinc/88/17/63/598881763.db2.gz UWDWATLRCKXLHK-KRWDZBQOSA-N -1 3 357.458 3.031 20 0 FGADHM O=C(COc1ccccc1-c1nnn[n-]1)OCCc1ccc2ccccc2c1 ZINC000737932219 598882227 /nfs/dbraw/zinc/88/22/27/598882227.db2.gz UUKYWFUMCBDXGX-UHFFFAOYSA-N -1 3 374.400 3.185 20 0 FGADHM O=C(COc1ccccc1-c1nn[n-]n1)OCCc1ccc2ccccc2c1 ZINC000737932219 598882229 /nfs/dbraw/zinc/88/22/29/598882229.db2.gz UUKYWFUMCBDXGX-UHFFFAOYSA-N -1 3 374.400 3.185 20 0 FGADHM CCCCS[C@@H](C)C(=O)O[C@H](C)COc1cccc(-c2nnn[n-]2)c1 ZINC000736462162 598886315 /nfs/dbraw/zinc/88/63/15/598886315.db2.gz AYQKWAWEJHBYPD-OLZOCXBDSA-N -1 3 364.471 3.099 20 0 FGADHM CCCCS[C@@H](C)C(=O)O[C@H](C)COc1cccc(-c2nn[n-]n2)c1 ZINC000736462162 598886316 /nfs/dbraw/zinc/88/63/16/598886316.db2.gz AYQKWAWEJHBYPD-OLZOCXBDSA-N -1 3 364.471 3.099 20 0 FGADHM Cc1ccc(C)c(C(=O)O[C@@H](C)COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737321104 598886982 /nfs/dbraw/zinc/88/69/82/598886982.db2.gz DDVMVZWTZTXIRV-AWEZNQCLSA-N -1 3 352.394 3.108 20 0 FGADHM Cc1ccc(C)c(C(=O)O[C@@H](C)COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737321104 598886983 /nfs/dbraw/zinc/88/69/83/598886983.db2.gz DDVMVZWTZTXIRV-AWEZNQCLSA-N -1 3 352.394 3.108 20 0 FGADHM CCCN(C)C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000736472679 598890927 /nfs/dbraw/zinc/89/09/27/598890927.db2.gz RMAGLWPFLLXKAW-UHFFFAOYSA-N -1 3 356.455 3.147 20 0 FGADHM O=C(Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1)c1ccc(F)nc1 ZINC000738251038 598893890 /nfs/dbraw/zinc/89/38/90/598893890.db2.gz LTQMRQJATJBAGT-UHFFFAOYSA-N -1 3 361.336 3.287 20 0 FGADHM O=C(Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1)c1ccc(F)nc1 ZINC000738251038 598893893 /nfs/dbraw/zinc/89/38/93/598893893.db2.gz LTQMRQJATJBAGT-UHFFFAOYSA-N -1 3 361.336 3.287 20 0 FGADHM COC(=O)[C@H](OC(=O)C[C@@H](C)CC(C)(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736896301 598897590 /nfs/dbraw/zinc/89/75/90/598897590.db2.gz HXSKELXYVRNDKI-MLGOLLRUSA-N -1 3 374.441 3.086 20 0 FGADHM COC(=O)[C@H](OC(=O)C[C@@H](C)CC(C)(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736896301 598897591 /nfs/dbraw/zinc/89/75/91/598897591.db2.gz HXSKELXYVRNDKI-MLGOLLRUSA-N -1 3 374.441 3.086 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)NC1C[C@@H](C)C[C@H](C)C1 ZINC000736637116 598905209 /nfs/dbraw/zinc/90/52/09/598905209.db2.gz OSGSQNLQTDLSLQ-RYUDHWBXSA-N -1 3 358.446 3.212 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)NC1C[C@@H](C)C[C@H](C)C1 ZINC000736637116 598905211 /nfs/dbraw/zinc/90/52/11/598905211.db2.gz OSGSQNLQTDLSLQ-RYUDHWBXSA-N -1 3 358.446 3.212 20 0 FGADHM COc1ccc(Cl)cc1N(C)C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000737098354 598906255 /nfs/dbraw/zinc/90/62/55/598906255.db2.gz BXLNUDVIBAPRHR-JXMROGBWSA-N -1 3 369.812 3.205 20 0 FGADHM COc1ccc(Cl)cc1N(C)C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000737098354 598906258 /nfs/dbraw/zinc/90/62/58/598906258.db2.gz BXLNUDVIBAPRHR-JXMROGBWSA-N -1 3 369.812 3.205 20 0 FGADHM C[C@@H](NC(=O)N1CC2(CC2)c2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000736110665 598906468 /nfs/dbraw/zinc/90/64/68/598906468.db2.gz JEYNSTQJFUELNA-CYBMUJFWSA-N -1 3 360.421 3.189 20 0 FGADHM C[C@@H](NC(=O)N1CC2(CC2)c2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000736110665 598906470 /nfs/dbraw/zinc/90/64/70/598906470.db2.gz JEYNSTQJFUELNA-CYBMUJFWSA-N -1 3 360.421 3.189 20 0 FGADHM CC(C)(CNC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1cccs1 ZINC000735666071 598906936 /nfs/dbraw/zinc/90/69/36/598906936.db2.gz MCQOOHDXQYMPHE-MDZDMXLPSA-N -1 3 353.451 3.035 20 0 FGADHM CC(C)(CNC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1cccs1 ZINC000735666071 598906938 /nfs/dbraw/zinc/90/69/38/598906938.db2.gz MCQOOHDXQYMPHE-MDZDMXLPSA-N -1 3 353.451 3.035 20 0 FGADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NC[C@@H](C)C(C)C ZINC000735830437 598907891 /nfs/dbraw/zinc/90/78/91/598907891.db2.gz FGARZRGWXCSOQP-OAHLLOKOSA-N -1 3 358.490 3.326 20 0 FGADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@@H](C)C(C)C ZINC000735830437 598907893 /nfs/dbraw/zinc/90/78/93/598907893.db2.gz FGARZRGWXCSOQP-OAHLLOKOSA-N -1 3 358.490 3.326 20 0 FGADHM CCOc1cc(CNc2c(F)cc(-c3nnn[n-]3)cc2F)ccc1OC ZINC000736624598 598914199 /nfs/dbraw/zinc/91/41/99/598914199.db2.gz FJPDMPYQPRURCX-UHFFFAOYSA-N -1 3 361.352 3.164 20 0 FGADHM CCOc1cc(CNc2c(F)cc(-c3nn[n-]n3)cc2F)ccc1OC ZINC000736624598 598914200 /nfs/dbraw/zinc/91/42/00/598914200.db2.gz FJPDMPYQPRURCX-UHFFFAOYSA-N -1 3 361.352 3.164 20 0 FGADHM C[C@H]1CCCC[C@@H]1CCNC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000736259968 598921957 /nfs/dbraw/zinc/92/19/57/598921957.db2.gz GLQQRDLTNXRRHG-QWHCGFSZSA-N -1 3 360.437 3.021 20 0 FGADHM C[C@H]1CCCC[C@@H]1CCNC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000736259968 598921958 /nfs/dbraw/zinc/92/19/58/598921958.db2.gz GLQQRDLTNXRRHG-QWHCGFSZSA-N -1 3 360.437 3.021 20 0 FGADHM CCCCN(c1ccccc1)S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000736457618 598929294 /nfs/dbraw/zinc/92/92/94/598929294.db2.gz QEFGGMJGUNFWGM-UHFFFAOYSA-N -1 3 371.466 3.171 20 0 FGADHM CCCCN(c1ccccc1)S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000736457618 598929296 /nfs/dbraw/zinc/92/92/96/598929296.db2.gz QEFGGMJGUNFWGM-UHFFFAOYSA-N -1 3 371.466 3.171 20 0 FGADHM Cc1cc(Oc2ncccc2-c2nnn[n-]2)ccc1NC(=O)C1CC=CC1 ZINC000737278664 598939931 /nfs/dbraw/zinc/93/99/31/598939931.db2.gz CLIZPVWOXFKQKD-UHFFFAOYSA-N -1 3 362.393 3.267 20 0 FGADHM CC(C)C[C@@H](C(=O)NCc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000735756150 598940385 /nfs/dbraw/zinc/94/03/85/598940385.db2.gz LWDJYXHWPNYGTB-QGZVFWFLSA-N -1 3 367.428 3.452 20 0 FGADHM CC(C)C[C@@H](C(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000735756150 598940386 /nfs/dbraw/zinc/94/03/86/598940386.db2.gz LWDJYXHWPNYGTB-QGZVFWFLSA-N -1 3 367.428 3.452 20 0 FGADHM Cc1nc2c(s1)[C@H](N(C)c1ncc(-c3nnn[n-]3)cc1Cl)CCC2 ZINC000737489107 598942971 /nfs/dbraw/zinc/94/29/71/598942971.db2.gz VZFGOEATCWEKIO-GFCCVEGCSA-N -1 3 361.862 3.194 20 0 FGADHM Cc1nc2c(s1)[C@H](N(C)c1ncc(-c3nn[n-]n3)cc1Cl)CCC2 ZINC000737489107 598942972 /nfs/dbraw/zinc/94/29/72/598942972.db2.gz VZFGOEATCWEKIO-GFCCVEGCSA-N -1 3 361.862 3.194 20 0 FGADHM CC[C@H](C)OC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000736327699 598967891 /nfs/dbraw/zinc/96/78/91/598967891.db2.gz SSNMSDUTBLCBJX-ZDUSSCGKSA-N -1 3 352.394 3.401 20 0 FGADHM CC[C@H](C)OC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000736327699 598967892 /nfs/dbraw/zinc/96/78/92/598967892.db2.gz SSNMSDUTBLCBJX-ZDUSSCGKSA-N -1 3 352.394 3.401 20 0 FGADHM Cc1nnc(N[C@H]2C[C@H]2c2c(F)cccc2Cl)c(-c2nnn[n-]2)c1C ZINC000737521577 598972190 /nfs/dbraw/zinc/97/21/90/598972190.db2.gz PUZXZDHBXJOGTN-SKDRFNHKSA-N -1 3 359.796 3.034 20 0 FGADHM Cc1nnc(N[C@H]2C[C@H]2c2c(F)cccc2Cl)c(-c2nn[n-]n2)c1C ZINC000737521577 598972191 /nfs/dbraw/zinc/97/21/91/598972191.db2.gz PUZXZDHBXJOGTN-SKDRFNHKSA-N -1 3 359.796 3.034 20 0 FGADHM O[C@H](CNc1ccc(-c2nn[n-]n2)cc1F)c1c(Cl)cccc1Cl ZINC000738384592 598976964 /nfs/dbraw/zinc/97/69/64/598976964.db2.gz UMRRZWWDQYALCD-CYBMUJFWSA-N -1 3 368.199 3.458 20 0 FGADHM COc1cc(CNc2cccc(-c3nnn[n-]3)c2C)ccc1OC(F)F ZINC000821717501 607256293 /nfs/dbraw/zinc/25/62/93/607256293.db2.gz PIYGGLAGJOCAPC-UHFFFAOYSA-N -1 3 361.352 3.397 20 0 FGADHM COc1cc(CNc2cccc(-c3nn[n-]n3)c2C)ccc1OC(F)F ZINC000821717501 607256294 /nfs/dbraw/zinc/25/62/94/607256294.db2.gz PIYGGLAGJOCAPC-UHFFFAOYSA-N -1 3 361.352 3.397 20 0 FGADHM CC(C)CN(C)C(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000735827997 598988788 /nfs/dbraw/zinc/98/87/88/598988788.db2.gz WWAHUZZUGXNQKW-UHFFFAOYSA-N -1 3 365.437 3.174 20 0 FGADHM CC(C)CN(C)C(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000735827997 598988790 /nfs/dbraw/zinc/98/87/90/598988790.db2.gz WWAHUZZUGXNQKW-UHFFFAOYSA-N -1 3 365.437 3.174 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C[C@H]1CCc2ccccc21 ZINC000736633422 599015456 /nfs/dbraw/zinc/01/54/56/599015456.db2.gz AONWSKFRBKJSMK-CQSZACIVSA-N -1 3 363.421 3.324 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C[C@H]1CCc2ccccc21 ZINC000736633422 599015458 /nfs/dbraw/zinc/01/54/58/599015458.db2.gz AONWSKFRBKJSMK-CQSZACIVSA-N -1 3 363.421 3.324 20 0 FGADHM CCc1ccccc1CNC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736696191 599019752 /nfs/dbraw/zinc/01/97/52/599019752.db2.gz XPLPOYFVDWIWPF-UHFFFAOYSA-N -1 3 356.817 3.404 20 0 FGADHM CCc1ccccc1CNC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736696191 599019753 /nfs/dbraw/zinc/01/97/53/599019753.db2.gz XPLPOYFVDWIWPF-UHFFFAOYSA-N -1 3 356.817 3.404 20 0 FGADHM O=C(OCCc1ccccc1C(F)(F)F)c1sccc1-c1nnn[n-]1 ZINC000738223720 599027295 /nfs/dbraw/zinc/02/72/95/599027295.db2.gz WNHOWNCGHVGULB-UHFFFAOYSA-N -1 3 368.340 3.347 20 0 FGADHM Cc1ccccc1[C@H]1CN(c2cc(Cl)ccc2-c2nnn[n-]2)CCO1 ZINC000822350819 599036599 /nfs/dbraw/zinc/03/65/99/599036599.db2.gz HMMHJENSVGBTBR-QGZVFWFLSA-N -1 3 355.829 3.406 20 0 FGADHM Cc1ccccc1[C@H]1CN(c2cc(Cl)ccc2-c2nn[n-]n2)CCO1 ZINC000822350819 599036602 /nfs/dbraw/zinc/03/66/02/599036602.db2.gz HMMHJENSVGBTBR-QGZVFWFLSA-N -1 3 355.829 3.406 20 0 FGADHM Cc1cccc([C@@H](C)CNC(=O)CSc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737389776 599040627 /nfs/dbraw/zinc/04/06/27/599040627.db2.gz PSAXXVABYCEJRE-AWEZNQCLSA-N -1 3 367.478 3.187 20 0 FGADHM Cc1cccc([C@@H](C)CNC(=O)CSc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737389776 599040630 /nfs/dbraw/zinc/04/06/30/599040630.db2.gz PSAXXVABYCEJRE-AWEZNQCLSA-N -1 3 367.478 3.187 20 0 FGADHM Cc1csc([C@@H](C)Nc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)n1 ZINC000737455820 599051517 /nfs/dbraw/zinc/05/15/17/599051517.db2.gz XVQDEPNBNQVWOH-SSDOTTSWSA-N -1 3 355.349 3.219 20 0 FGADHM Cc1csc([C@@H](C)Nc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)n1 ZINC000737455820 599051520 /nfs/dbraw/zinc/05/15/20/599051520.db2.gz XVQDEPNBNQVWOH-SSDOTTSWSA-N -1 3 355.349 3.219 20 0 FGADHM Cc1nc([C@H](C)Nc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)cs1 ZINC000737470707 599054537 /nfs/dbraw/zinc/05/45/37/599054537.db2.gz KUMPYVPARWZSIY-LURJTMIESA-N -1 3 355.349 3.219 20 0 FGADHM Cc1nc([C@H](C)Nc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)cs1 ZINC000737470707 599054540 /nfs/dbraw/zinc/05/45/40/599054540.db2.gz KUMPYVPARWZSIY-LURJTMIESA-N -1 3 355.349 3.219 20 0 FGADHM C[C@@H](CNc1nc2c(cc1-c1nnn[n-]1)CCC2)Oc1cccc(Cl)c1 ZINC000820281123 599064210 /nfs/dbraw/zinc/06/42/10/599064210.db2.gz RRGUXYBYDYNYID-NSHDSACASA-N -1 3 370.844 3.283 20 0 FGADHM C[C@@H](CNc1nc2c(cc1-c1nn[n-]n1)CCC2)Oc1cccc(Cl)c1 ZINC000820281123 599064211 /nfs/dbraw/zinc/06/42/11/599064211.db2.gz RRGUXYBYDYNYID-NSHDSACASA-N -1 3 370.844 3.283 20 0 FGADHM C[C@@H](CNc1cc(-c2nnn[n-]2)c2ccccc2n1)Oc1ccccc1F ZINC000820274540 599067039 /nfs/dbraw/zinc/06/70/39/599067039.db2.gz HJIQBNKJKWUIAL-LBPRGKRZSA-N -1 3 364.384 3.433 20 0 FGADHM C[C@@H](CNc1cc(-c2nn[n-]n2)c2ccccc2n1)Oc1ccccc1F ZINC000820274540 599067042 /nfs/dbraw/zinc/06/70/42/599067042.db2.gz HJIQBNKJKWUIAL-LBPRGKRZSA-N -1 3 364.384 3.433 20 0 FGADHM Cc1cccc2c(CCC(=O)Nc3ccc(F)c(-c4nnn[n-]4)c3)c[nH]c21 ZINC000737407474 599075175 /nfs/dbraw/zinc/07/51/75/599075175.db2.gz BSLBZEBKRVAGBC-UHFFFAOYSA-N -1 3 364.384 3.367 20 0 FGADHM Cc1cccc2c(CCC(=O)Nc3ccc(F)c(-c4nn[n-]n4)c3)c[nH]c21 ZINC000737407474 599075178 /nfs/dbraw/zinc/07/51/78/599075178.db2.gz BSLBZEBKRVAGBC-UHFFFAOYSA-N -1 3 364.384 3.367 20 0 FGADHM COc1ccc(O[C@H](C)CNc2cc(Cl)ccc2-c2nnn[n-]2)cc1 ZINC000821838481 599075188 /nfs/dbraw/zinc/07/51/88/599075188.db2.gz OCKCADOYUIUPGR-LLVKDONJSA-N -1 3 359.817 3.408 20 0 FGADHM COc1ccc(O[C@H](C)CNc2cc(Cl)ccc2-c2nn[n-]n2)cc1 ZINC000821838481 599075189 /nfs/dbraw/zinc/07/51/89/599075189.db2.gz OCKCADOYUIUPGR-LLVKDONJSA-N -1 3 359.817 3.408 20 0 FGADHM Cc1c(NCC(=O)Nc2ccccc2C(C)C)cccc1-c1nnn[n-]1 ZINC000822123188 607258303 /nfs/dbraw/zinc/25/83/03/607258303.db2.gz VJRIWMUXEWQTFO-UHFFFAOYSA-N -1 3 350.426 3.349 20 0 FGADHM Cc1c(NCC(=O)Nc2ccccc2C(C)C)cccc1-c1nn[n-]n1 ZINC000822123188 607258304 /nfs/dbraw/zinc/25/83/04/607258304.db2.gz VJRIWMUXEWQTFO-UHFFFAOYSA-N -1 3 350.426 3.349 20 0 FGADHM Cc1ccc([C@H](C)N[C@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)o1 ZINC000737321340 599077972 /nfs/dbraw/zinc/07/79/72/599077972.db2.gz UFYSEPRCAONGMC-WDEREUQCSA-N -1 3 374.832 3.099 20 0 FGADHM Cc1ccc([C@H](C)N[C@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)o1 ZINC000737321340 599077974 /nfs/dbraw/zinc/07/79/74/599077974.db2.gz UFYSEPRCAONGMC-WDEREUQCSA-N -1 3 374.832 3.099 20 0 FGADHM O=C(Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1)C1CCCCCCC1 ZINC000738194651 599079612 /nfs/dbraw/zinc/07/96/12/599079612.db2.gz GOIWTEXFOBHQLU-UHFFFAOYSA-N -1 3 365.441 3.351 20 0 FGADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NC1CCC(C)(C)CC1 ZINC000735736938 599083689 /nfs/dbraw/zinc/08/36/89/599083689.db2.gz XAUXAPSZZOPYKL-QGZVFWFLSA-N -1 3 371.485 3.355 20 0 FGADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NC1CCC(C)(C)CC1 ZINC000735736938 599083693 /nfs/dbraw/zinc/08/36/93/599083693.db2.gz XAUXAPSZZOPYKL-QGZVFWFLSA-N -1 3 371.485 3.355 20 0 FGADHM c1ccc2c(c1)CCO[C@H]2CSCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000738442948 599100773 /nfs/dbraw/zinc/10/07/73/599100773.db2.gz SLVJBKCOKYGKTB-SFHVURJKSA-N -1 3 368.462 3.293 20 0 FGADHM Cc1cc(C)c(-c2nnn[n-]2)c(NCCc2nc(C(F)(F)F)cs2)n1 ZINC000822193142 599105212 /nfs/dbraw/zinc/10/52/12/599105212.db2.gz MNBMYMHJAJKFKP-UHFFFAOYSA-N -1 3 369.376 3.008 20 0 FGADHM Cc1cc(C)c(-c2nn[n-]n2)c(NCCc2nc(C(F)(F)F)cs2)n1 ZINC000822193142 599105213 /nfs/dbraw/zinc/10/52/13/599105213.db2.gz MNBMYMHJAJKFKP-UHFFFAOYSA-N -1 3 369.376 3.008 20 0 FGADHM CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820939307 599139049 /nfs/dbraw/zinc/13/90/49/599139049.db2.gz SXBLYPMYJIDHMO-WBAXXEDZSA-N -1 3 371.485 3.199 20 0 FGADHM CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820939307 599139052 /nfs/dbraw/zinc/13/90/52/599139052.db2.gz SXBLYPMYJIDHMO-WBAXXEDZSA-N -1 3 371.485 3.199 20 0 FGADHM C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736236311 599145112 /nfs/dbraw/zinc/14/51/12/599145112.db2.gz RMHCHJULMMGPGO-OCCSQVGLSA-N -1 3 366.400 3.416 20 0 FGADHM C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736236311 599145114 /nfs/dbraw/zinc/14/51/14/599145114.db2.gz RMHCHJULMMGPGO-OCCSQVGLSA-N -1 3 366.400 3.416 20 0 FGADHM O=C(C[C@@H]1CCc2ccccc21)OCc1cn2ccccc2c1-c1nnn[n-]1 ZINC000737817504 599146070 /nfs/dbraw/zinc/14/60/70/599146070.db2.gz AWIUYTWWDWIAOJ-HNNXBMFYSA-N -1 3 373.416 3.283 20 0 FGADHM O=C(C[C@@H]1CCc2ccccc21)OCc1cn2ccccc2c1-c1nn[n-]n1 ZINC000737817504 599146073 /nfs/dbraw/zinc/14/60/73/599146073.db2.gz AWIUYTWWDWIAOJ-HNNXBMFYSA-N -1 3 373.416 3.283 20 0 FGADHM CC(C)(C)Oc1ccccc1NC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000735639492 599147388 /nfs/dbraw/zinc/14/73/88/599147388.db2.gz JIBFEVJZXBHWAX-UHFFFAOYSA-N -1 3 366.425 3.366 20 0 FGADHM CC(C)(C)Oc1ccccc1NC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000735639492 599147390 /nfs/dbraw/zinc/14/73/90/599147390.db2.gz JIBFEVJZXBHWAX-UHFFFAOYSA-N -1 3 366.425 3.366 20 0 FGADHM C[C@@H](OC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1)C1CC1 ZINC000736162932 599151543 /nfs/dbraw/zinc/15/15/43/599151543.db2.gz KLKPLTICUGRSER-CYBMUJFWSA-N -1 3 364.405 3.401 20 0 FGADHM C[C@@H](OC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1)C1CC1 ZINC000736162932 599151545 /nfs/dbraw/zinc/15/15/45/599151545.db2.gz KLKPLTICUGRSER-CYBMUJFWSA-N -1 3 364.405 3.401 20 0 FGADHM Fc1ccc(OCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)cc1Cl ZINC000737657103 599160036 /nfs/dbraw/zinc/16/00/36/599160036.db2.gz UVRRYIWQPJNBGE-UHFFFAOYSA-N -1 3 372.747 3.288 20 0 FGADHM Fc1ccc(OCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)cc1Cl ZINC000737657103 599160039 /nfs/dbraw/zinc/16/00/39/599160039.db2.gz UVRRYIWQPJNBGE-UHFFFAOYSA-N -1 3 372.747 3.288 20 0 FGADHM CC[C@@H](C)C[C@H](C)NC(=O)c1cc(C2CC2)nc(SC)c1-c1nnn[n-]1 ZINC000820870075 599160118 /nfs/dbraw/zinc/16/01/18/599160118.db2.gz MOLJGTZZRNBPEM-MNOVXSKESA-N -1 3 374.514 3.416 20 0 FGADHM CC[C@H](C)C[C@H](C)NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000820870337 599160550 /nfs/dbraw/zinc/16/05/50/599160550.db2.gz QSIZFHWBLFFNSD-GJZGRUSLSA-N -1 3 359.474 3.357 20 0 FGADHM CC[C@H](C)C[C@H](C)NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000820870337 599160553 /nfs/dbraw/zinc/16/05/53/599160553.db2.gz QSIZFHWBLFFNSD-GJZGRUSLSA-N -1 3 359.474 3.357 20 0 FGADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCC[C@@H](C(C)(C)C)CC1 ZINC000736170592 599162090 /nfs/dbraw/zinc/16/20/90/599162090.db2.gz QRRYACZLFICGOR-GDBMZVCRSA-N -1 3 371.485 3.309 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)[C@H]1C[C@H]1c1c(F)cccc1F ZINC000738163135 599162336 /nfs/dbraw/zinc/16/23/36/599162336.db2.gz OQHRORGKGDHDIM-ZJUUUORDSA-N -1 3 359.311 3.026 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)[C@H]1C[C@H]1c1c(F)cccc1F ZINC000738163135 599162337 /nfs/dbraw/zinc/16/23/37/599162337.db2.gz OQHRORGKGDHDIM-ZJUUUORDSA-N -1 3 359.311 3.026 20 0 FGADHM Fc1ccc(-n2ccc(COc3ccc(-c4nnn[n-]4)cc3Cl)n2)cc1 ZINC000737647181 599163164 /nfs/dbraw/zinc/16/31/64/599163164.db2.gz CHYZLTTWCQKJOF-UHFFFAOYSA-N -1 3 370.775 3.424 20 0 FGADHM Fc1ccc(-n2ccc(COc3ccc(-c4nn[n-]n4)cc3Cl)n2)cc1 ZINC000737647181 599163166 /nfs/dbraw/zinc/16/31/66/599163166.db2.gz CHYZLTTWCQKJOF-UHFFFAOYSA-N -1 3 370.775 3.424 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)C[C@H](C)c1ccccc1C ZINC000737026652 599160425 /nfs/dbraw/zinc/16/04/25/599160425.db2.gz ZQXGZDBSQMUSCZ-ZDUSSCGKSA-N -1 3 352.394 3.283 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)C[C@H](C)c1ccccc1C ZINC000737026652 599160427 /nfs/dbraw/zinc/16/04/27/599160427.db2.gz ZQXGZDBSQMUSCZ-ZDUSSCGKSA-N -1 3 352.394 3.283 20 0 FGADHM Fc1cccc(-c2nnc(CSc3ccc(-c4nnn[n-]4)cc3F)o2)c1 ZINC000737664840 599167246 /nfs/dbraw/zinc/16/72/46/599167246.db2.gz FIQXBBXVBINLSM-UHFFFAOYSA-N -1 3 372.360 3.487 20 0 FGADHM Fc1cccc(-c2nnc(CSc3ccc(-c4nn[n-]n4)cc3F)o2)c1 ZINC000737664840 599167249 /nfs/dbraw/zinc/16/72/49/599167249.db2.gz FIQXBBXVBINLSM-UHFFFAOYSA-N -1 3 372.360 3.487 20 0 FGADHM Cc1ccc(N2CC[C@H](Sc3ccc(-c4nnn[n-]4)cc3F)C2=O)cc1 ZINC000737350900 599169038 /nfs/dbraw/zinc/16/90/38/599169038.db2.gz JOFGFRVKXUYTDC-INIZCTEOSA-N -1 3 369.425 3.212 20 0 FGADHM Cc1ccc(N2CC[C@H](Sc3ccc(-c4nn[n-]n4)cc3F)C2=O)cc1 ZINC000737350900 599169039 /nfs/dbraw/zinc/16/90/39/599169039.db2.gz JOFGFRVKXUYTDC-INIZCTEOSA-N -1 3 369.425 3.212 20 0 FGADHM CC(C)c1ccc(CCC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000820192765 599177870 /nfs/dbraw/zinc/17/78/70/599177870.db2.gz YNHLTPZTJTVQMQ-UHFFFAOYSA-N -1 3 367.428 3.378 20 0 FGADHM CC(C)c1ccc(CCC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000820192765 599177871 /nfs/dbraw/zinc/17/78/71/599177871.db2.gz YNHLTPZTJTVQMQ-UHFFFAOYSA-N -1 3 367.428 3.378 20 0 FGADHM C[C@H](C(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1)c1cccc(Cl)c1 ZINC000735511327 599181755 /nfs/dbraw/zinc/18/17/55/599181755.db2.gz CDGXTGVSIRZPIH-LBPRGKRZSA-N -1 3 355.829 3.282 20 0 FGADHM C[C@H](C(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1)c1cccc(Cl)c1 ZINC000735511327 599181757 /nfs/dbraw/zinc/18/17/57/599181757.db2.gz CDGXTGVSIRZPIH-LBPRGKRZSA-N -1 3 355.829 3.282 20 0 FGADHM CCCc1ncc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(C)C)s1 ZINC000736495095 599184638 /nfs/dbraw/zinc/18/46/38/599184638.db2.gz HTZHBHHQYYQSRS-UHFFFAOYSA-N -1 3 372.454 3.315 20 0 FGADHM CCCc1ncc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(C)C)s1 ZINC000736495095 599184639 /nfs/dbraw/zinc/18/46/39/599184639.db2.gz HTZHBHHQYYQSRS-UHFFFAOYSA-N -1 3 372.454 3.315 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H](C)c1cccc(F)c1 ZINC000736634355 599184934 /nfs/dbraw/zinc/18/49/34/599184934.db2.gz GUWZUVPZGHBZDP-NSHDSACASA-N -1 3 355.373 3.147 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H](C)c1cccc(F)c1 ZINC000736634355 599184937 /nfs/dbraw/zinc/18/49/37/599184937.db2.gz GUWZUVPZGHBZDP-NSHDSACASA-N -1 3 355.373 3.147 20 0 FGADHM C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820667012 599189916 /nfs/dbraw/zinc/18/99/16/599189916.db2.gz KOKUTWDXDGSSKC-SJCJKPOMSA-N -1 3 351.385 3.229 20 0 FGADHM C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820667012 599189918 /nfs/dbraw/zinc/18/99/18/599189918.db2.gz KOKUTWDXDGSSKC-SJCJKPOMSA-N -1 3 351.385 3.229 20 0 FGADHM Cc1ccc(CNC(=O)c2c(Cl)cc(-c3nn[n-]n3)cc2Cl)s1 ZINC000826288080 607833475 /nfs/dbraw/zinc/83/34/75/607833475.db2.gz PZXRLLXYZRRMSM-UHFFFAOYSA-N -1 3 368.249 3.473 20 0 FGADHM Cc1ccc(CNC(=O)c2c(Cl)cc(-c3nnn[n-]3)cc2Cl)s1 ZINC000826288080 607833474 /nfs/dbraw/zinc/83/34/74/607833474.db2.gz PZXRLLXYZRRMSM-UHFFFAOYSA-N -1 3 368.249 3.473 20 0 FGADHM Cc1sc2[nH]c(CSc3ccccc3-c3nnn[n-]3)nc(=O)c2c1C ZINC000822563784 599200249 /nfs/dbraw/zinc/20/02/49/599200249.db2.gz ORBUKTDOLIYKFP-UHFFFAOYSA-N -1 3 370.463 3.486 20 0 FGADHM Cc1sc2[nH]c(CSc3ccccc3-c3nn[n-]n3)nc(=O)c2c1C ZINC000822563784 599200251 /nfs/dbraw/zinc/20/02/51/599200251.db2.gz ORBUKTDOLIYKFP-UHFFFAOYSA-N -1 3 370.463 3.486 20 0 FGADHM CC(C)OC(=O)NCc1ccc(NCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735894404 599205086 /nfs/dbraw/zinc/20/50/86/599205086.db2.gz IQHBTDIUUJKJHS-UHFFFAOYSA-N -1 3 366.425 3.113 20 0 FGADHM CC(C)OC(=O)NCc1ccc(NCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735894404 599205088 /nfs/dbraw/zinc/20/50/88/599205088.db2.gz IQHBTDIUUJKJHS-UHFFFAOYSA-N -1 3 366.425 3.113 20 0 FGADHM CO[C@@H](C)CC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000821673828 599218066 /nfs/dbraw/zinc/21/80/66/599218066.db2.gz MHTXMSGEYSAVRE-NSHDSACASA-N -1 3 371.372 3.162 20 0 FGADHM CO[C@@H](C)CC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000821673828 599218068 /nfs/dbraw/zinc/21/80/68/599218068.db2.gz MHTXMSGEYSAVRE-NSHDSACASA-N -1 3 371.372 3.162 20 0 FGADHM CS[C@H](C)C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000821948593 599220796 /nfs/dbraw/zinc/22/07/96/599220796.db2.gz CWGAMDGOBXMHOF-SNVBAGLBSA-N -1 3 373.413 3.488 20 0 FGADHM CS[C@H](C)C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000821948593 599220799 /nfs/dbraw/zinc/22/07/99/599220799.db2.gz CWGAMDGOBXMHOF-SNVBAGLBSA-N -1 3 373.413 3.488 20 0 FGADHM Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000822232994 599221692 /nfs/dbraw/zinc/22/16/92/599221692.db2.gz GDCKRUSIPVPPPC-LRDDRELGSA-N -1 3 351.410 3.382 20 0 FGADHM Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822232994 599221693 /nfs/dbraw/zinc/22/16/93/599221693.db2.gz GDCKRUSIPVPPPC-LRDDRELGSA-N -1 3 351.410 3.382 20 0 FGADHM O=C(CC1CCOCC1)Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737817523 599222604 /nfs/dbraw/zinc/22/26/04/599222604.db2.gz AZSIFEGHHLJDMV-UHFFFAOYSA-N -1 3 364.405 3.256 20 0 FGADHM O=C(CC1CCOCC1)Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737817523 599222607 /nfs/dbraw/zinc/22/26/07/599222607.db2.gz AZSIFEGHHLJDMV-UHFFFAOYSA-N -1 3 364.405 3.256 20 0 FGADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)N[C@H](CC1CC1)c1ccccc1 ZINC000737851194 599225042 /nfs/dbraw/zinc/22/50/42/599225042.db2.gz FDXORRHULBMXSZ-LJQANCHMSA-N -1 3 361.449 3.457 20 0 FGADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)N[C@H](CC1CC1)c1ccccc1 ZINC000737851194 599225045 /nfs/dbraw/zinc/22/50/45/599225045.db2.gz FDXORRHULBMXSZ-LJQANCHMSA-N -1 3 361.449 3.457 20 0 FGADHM O=C(Nc1cccc(Cl)c1Cl)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000823363598 607262371 /nfs/dbraw/zinc/26/23/71/607262371.db2.gz IDITVFGMCVHPKA-UHFFFAOYSA-N -1 3 369.599 3.474 20 0 FGADHM O=C(Nc1cccc(Cl)c1Cl)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000823363598 607262372 /nfs/dbraw/zinc/26/23/72/607262372.db2.gz IDITVFGMCVHPKA-UHFFFAOYSA-N -1 3 369.599 3.474 20 0 FGADHM CC(C)[C@H](NC(=O)c1ncc(-c2nnn[n-]2)cc1Cl)c1ccccc1 ZINC000820027761 607262419 /nfs/dbraw/zinc/26/24/19/607262419.db2.gz UDTAUFZAXBUZNJ-AWEZNQCLSA-N -1 3 356.817 3.042 20 0 FGADHM CC(C)[C@H](NC(=O)c1ncc(-c2nn[n-]n2)cc1Cl)c1ccccc1 ZINC000820027761 607262420 /nfs/dbraw/zinc/26/24/20/607262420.db2.gz UDTAUFZAXBUZNJ-AWEZNQCLSA-N -1 3 356.817 3.042 20 0 FGADHM COc1ccc([C@H](NCc2ccc(Br)s2)C(=O)[O-])cc1 ZINC000737967757 599857560 /nfs/dbraw/zinc/85/75/60/599857560.db2.gz CLXRAUPLGJOHGX-ZDUSSCGKSA-N -1 3 356.241 3.435 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=S)N[C@H]1CCc2ccccc2C1 ZINC000822220150 599226971 /nfs/dbraw/zinc/22/69/71/599226971.db2.gz GBOLVCCOSZJGMZ-INIZCTEOSA-N -1 3 364.478 3.019 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=S)N[C@H]1CCc2ccccc2C1 ZINC000822220150 599226975 /nfs/dbraw/zinc/22/69/75/599226975.db2.gz GBOLVCCOSZJGMZ-INIZCTEOSA-N -1 3 364.478 3.019 20 0 FGADHM C[C@@H](OC(=O)C=Cc1ccnc(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820488755 607263501 /nfs/dbraw/zinc/26/35/01/607263501.db2.gz TWVPOFDCKFCPQD-IGVIJBNESA-N -1 3 355.785 3.233 20 0 FGADHM C[C@@H](OC(=O)C=Cc1ccnc(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820488755 607263502 /nfs/dbraw/zinc/26/35/02/607263502.db2.gz TWVPOFDCKFCPQD-IGVIJBNESA-N -1 3 355.785 3.233 20 0 FGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000737944267 599227394 /nfs/dbraw/zinc/22/73/94/599227394.db2.gz ZSDMMHDOKUODEZ-AEGPPILISA-N -1 3 357.483 3.044 20 0 FGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000737944267 599227398 /nfs/dbraw/zinc/22/73/98/599227398.db2.gz ZSDMMHDOKUODEZ-AEGPPILISA-N -1 3 357.483 3.044 20 0 FGADHM Cc1ccc(NC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)c(Cl)c1 ZINC000822249023 599239495 /nfs/dbraw/zinc/23/94/95/599239495.db2.gz YQQUSRDDBDDEHH-UHFFFAOYSA-N -1 3 360.780 3.289 20 0 FGADHM Cc1ccc(NC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)c(Cl)c1 ZINC000822249023 599239497 /nfs/dbraw/zinc/23/94/97/599239497.db2.gz YQQUSRDDBDDEHH-UHFFFAOYSA-N -1 3 360.780 3.289 20 0 FGADHM Cc1c(NC(=O)Cc2ccc(C(F)(F)F)cc2)cccc1-c1nnn[n-]1 ZINC000822077514 607269002 /nfs/dbraw/zinc/26/90/02/607269002.db2.gz WBEMRVSJITVQGV-UHFFFAOYSA-N -1 3 361.327 3.375 20 0 FGADHM Cc1c(NC(=O)Cc2ccc(C(F)(F)F)cc2)cccc1-c1nn[n-]n1 ZINC000822077514 607269003 /nfs/dbraw/zinc/26/90/03/607269003.db2.gz WBEMRVSJITVQGV-UHFFFAOYSA-N -1 3 361.327 3.375 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cc2cc(F)ccc2o1 ZINC000736633662 599247879 /nfs/dbraw/zinc/24/78/79/599247879.db2.gz FCMMOZJJSMTJAD-UHFFFAOYSA-N -1 3 367.340 3.403 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc2cc(F)ccc2o1 ZINC000736633662 599247881 /nfs/dbraw/zinc/24/78/81/599247881.db2.gz FCMMOZJJSMTJAD-UHFFFAOYSA-N -1 3 367.340 3.403 20 0 FGADHM C[C@H](NC(=O)c1cc2cc(F)ccc2o1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736116736 599247999 /nfs/dbraw/zinc/24/79/99/599247999.db2.gz CTZFXESLMAPFLW-JTQLQIEISA-N -1 3 351.341 3.243 20 0 FGADHM C[C@H](NC(=O)c1cc2cc(F)ccc2o1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736116736 599248001 /nfs/dbraw/zinc/24/80/01/599248001.db2.gz CTZFXESLMAPFLW-JTQLQIEISA-N -1 3 351.341 3.243 20 0 FGADHM C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736235875 599249280 /nfs/dbraw/zinc/24/92/80/599249280.db2.gz PNTHMJUOBCKAQW-ACJLOTCBSA-N -1 3 365.412 3.158 20 0 FGADHM C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736235875 599249281 /nfs/dbraw/zinc/24/92/81/599249281.db2.gz PNTHMJUOBCKAQW-ACJLOTCBSA-N -1 3 365.412 3.158 20 0 FGADHM CCCc1ccccc1NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000821143068 599252569 /nfs/dbraw/zinc/25/25/69/599252569.db2.gz QHOGNMMMUDGESD-UHFFFAOYSA-N -1 3 354.389 3.280 20 0 FGADHM CCCc1ccccc1NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000821143068 599252572 /nfs/dbraw/zinc/25/25/72/599252572.db2.gz QHOGNMMMUDGESD-UHFFFAOYSA-N -1 3 354.389 3.280 20 0 FGADHM Cc1cccc(CN(CCN(C)C)C(=O)Nc2ccccc2CC(=O)[O-])c1 ZINC000818944208 597340367 /nfs/dbraw/zinc/34/03/67/597340367.db2.gz DOAFDBHJIYOPNS-UHFFFAOYSA-N -1 3 369.465 3.218 20 0 FGADHM Cc1c(NC(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)cccc1-c1nnn[n-]1 ZINC000822090111 607284300 /nfs/dbraw/zinc/28/43/00/607284300.db2.gz IRAPYBVVJBHHPC-WDEREUQCSA-N -1 3 368.363 3.418 20 0 FGADHM Cc1c(NC(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)cccc1-c1nn[n-]n1 ZINC000822090111 607284301 /nfs/dbraw/zinc/28/43/01/607284301.db2.gz IRAPYBVVJBHHPC-WDEREUQCSA-N -1 3 368.363 3.418 20 0 FGADHM CCOc1ccc([C@H](C)NC(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1 ZINC000821417772 607284654 /nfs/dbraw/zinc/28/46/54/607284654.db2.gz RJNYTEMUWKCMIZ-ZDUSSCGKSA-N -1 3 366.425 3.457 20 0 FGADHM CCOc1ccc([C@H](C)NC(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1 ZINC000821417772 607284655 /nfs/dbraw/zinc/28/46/55/607284655.db2.gz RJNYTEMUWKCMIZ-ZDUSSCGKSA-N -1 3 366.425 3.457 20 0 FGADHM Cc1c(NC(=O)N[C@H](C)c2cc(F)ccc2F)cccc1-c1nnn[n-]1 ZINC000822091126 607284934 /nfs/dbraw/zinc/28/49/34/607284934.db2.gz OMNGGQIEBJWKHZ-SNVBAGLBSA-N -1 3 358.352 3.336 20 0 FGADHM Cc1c(NC(=O)N[C@H](C)c2cc(F)ccc2F)cccc1-c1nn[n-]n1 ZINC000822091126 607284935 /nfs/dbraw/zinc/28/49/35/607284935.db2.gz OMNGGQIEBJWKHZ-SNVBAGLBSA-N -1 3 358.352 3.336 20 0 FGADHM CC[C@H](c1ccncc1)N(C)C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000820945330 607289596 /nfs/dbraw/zinc/28/95/96/607289596.db2.gz RCAOSZVCRSTROU-MRXNPFEDSA-N -1 3 351.414 3.185 20 0 FGADHM CC[C@H](c1ccncc1)N(C)C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000820945330 607289597 /nfs/dbraw/zinc/28/95/97/607289597.db2.gz RCAOSZVCRSTROU-MRXNPFEDSA-N -1 3 351.414 3.185 20 0 FGADHM Cc1c(NC(=O)CSc2ccc3c(c2)CCC3)cccc1-c1nnn[n-]1 ZINC000822075788 607295062 /nfs/dbraw/zinc/29/50/62/607295062.db2.gz IRWZOQZSXSBKHT-UHFFFAOYSA-N -1 3 365.462 3.395 20 0 FGADHM Cc1c(NC(=O)CSc2ccc3c(c2)CCC3)cccc1-c1nn[n-]n1 ZINC000822075788 607295063 /nfs/dbraw/zinc/29/50/63/607295063.db2.gz IRWZOQZSXSBKHT-UHFFFAOYSA-N -1 3 365.462 3.395 20 0 FGADHM CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1NC(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000820684174 607299506 /nfs/dbraw/zinc/29/95/06/607299506.db2.gz MTTCNIPZIRSQKR-OSMZGAPFSA-N -1 3 362.865 3.106 20 0 FGADHM CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1NC(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000820684174 607299507 /nfs/dbraw/zinc/29/95/07/607299507.db2.gz MTTCNIPZIRSQKR-OSMZGAPFSA-N -1 3 362.865 3.106 20 0 FGADHM O=C(c1ncc(-c2nnn[n-]2)cc1Cl)N(Cc1ccco1)C1CCCC1 ZINC000823498559 607300086 /nfs/dbraw/zinc/30/00/86/607300086.db2.gz UIYWZAYMPDLUKR-UHFFFAOYSA-N -1 3 372.816 3.093 20 0 FGADHM O=C(c1ncc(-c2nn[n-]n2)cc1Cl)N(Cc1ccco1)C1CCCC1 ZINC000823498559 607300087 /nfs/dbraw/zinc/30/00/87/607300087.db2.gz UIYWZAYMPDLUKR-UHFFFAOYSA-N -1 3 372.816 3.093 20 0 FGADHM c1ccc2c(c1)[nH]c1c2CN(c2c(-c3nnn[n-]3)cnc3ccccc32)CC1 ZINC000738438112 599263208 /nfs/dbraw/zinc/26/32/08/599263208.db2.gz WQSQHZHNRHRBQO-UHFFFAOYSA-N -1 3 367.416 3.459 20 0 FGADHM c1ccc2c(c1)[nH]c1c2CN(c2c(-c3nn[n-]n3)cnc3ccccc32)CC1 ZINC000738438112 599263210 /nfs/dbraw/zinc/26/32/10/599263210.db2.gz WQSQHZHNRHRBQO-UHFFFAOYSA-N -1 3 367.416 3.459 20 0 FGADHM C[C@H]1CN(c2ccc(NCc3cccc(-c4nnn[n-]4)c3)cc2)C[C@H](C)O1 ZINC000820777596 607315026 /nfs/dbraw/zinc/31/50/26/607315026.db2.gz TVPFVYIVRZBCLE-GJZGRUSLSA-N -1 3 364.453 3.092 20 0 FGADHM C[C@H]1CN(c2ccc(NCc3cccc(-c4nn[n-]n4)c3)cc2)C[C@H](C)O1 ZINC000820777596 607315027 /nfs/dbraw/zinc/31/50/27/607315027.db2.gz TVPFVYIVRZBCLE-GJZGRUSLSA-N -1 3 364.453 3.092 20 0 FGADHM COc1c(Cl)cccc1NC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821698466 599265708 /nfs/dbraw/zinc/26/57/08/599265708.db2.gz LNYJPAZGFCWNBR-SNVBAGLBSA-N -1 3 372.816 3.411 20 0 FGADHM COc1c(Cl)cccc1NC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821698466 599265710 /nfs/dbraw/zinc/26/57/10/599265710.db2.gz LNYJPAZGFCWNBR-SNVBAGLBSA-N -1 3 372.816 3.411 20 0 FGADHM CCc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000736682344 599275813 /nfs/dbraw/zinc/27/58/13/599275813.db2.gz BDPRDUSXRMYLAG-HNNXBMFYSA-N -1 3 352.398 3.391 20 0 FGADHM CCc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000736682344 599275815 /nfs/dbraw/zinc/27/58/15/599275815.db2.gz BDPRDUSXRMYLAG-HNNXBMFYSA-N -1 3 352.398 3.391 20 0 FGADHM c1cc(NCc2ccc(-c3nnn[n-]3)cc2)cc(-c2noc(C3CC3)n2)c1 ZINC000823756754 607318970 /nfs/dbraw/zinc/31/89/70/607318970.db2.gz GYMPPIMOGIZWHW-UHFFFAOYSA-N -1 3 359.393 3.406 20 0 FGADHM c1cc(NCc2ccc(-c3nn[n-]n3)cc2)cc(-c2noc(C3CC3)n2)c1 ZINC000823756754 607318971 /nfs/dbraw/zinc/31/89/71/607318971.db2.gz GYMPPIMOGIZWHW-UHFFFAOYSA-N -1 3 359.393 3.406 20 0 FGADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1nc2ccsc2s1 ZINC000736817531 599280455 /nfs/dbraw/zinc/28/04/55/599280455.db2.gz CHTVBDBVGGILCD-UHFFFAOYSA-N -1 3 371.451 3.202 20 0 FGADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1nc2ccsc2s1 ZINC000736817531 599280456 /nfs/dbraw/zinc/28/04/56/599280456.db2.gz CHTVBDBVGGILCD-UHFFFAOYSA-N -1 3 371.451 3.202 20 0 FGADHM Cc1ccc(-n2nnnc2S[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737306764 599288512 /nfs/dbraw/zinc/28/85/12/599288512.db2.gz SERMSAAAESGMIQ-GFCCVEGCSA-N -1 3 364.438 3.004 20 0 FGADHM Cc1ccc(-n2nnnc2S[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737306764 599288514 /nfs/dbraw/zinc/28/85/14/599288514.db2.gz SERMSAAAESGMIQ-GFCCVEGCSA-N -1 3 364.438 3.004 20 0 FGADHM CC(C)Cn1ccnc1CNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820108922 607326851 /nfs/dbraw/zinc/32/68/51/607326851.db2.gz VETFKCBBVVTXBM-UHFFFAOYSA-N -1 3 365.363 3.350 20 0 FGADHM CC(C)Cn1ccnc1CNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820108922 607326852 /nfs/dbraw/zinc/32/68/52/607326852.db2.gz VETFKCBBVVTXBM-UHFFFAOYSA-N -1 3 365.363 3.350 20 0 FGADHM CN(C(=O)CSc1ccc(-c2nnn[n-]2)cc1Cl)C1CCCCC1 ZINC000825820568 607844408 /nfs/dbraw/zinc/84/44/08/607844408.db2.gz KWPZQKOYNURMLB-UHFFFAOYSA-N -1 3 365.890 3.403 20 0 FGADHM CN(C(=O)CSc1ccc(-c2nn[n-]n2)cc1Cl)C1CCCCC1 ZINC000825820568 607844409 /nfs/dbraw/zinc/84/44/09/607844409.db2.gz KWPZQKOYNURMLB-UHFFFAOYSA-N -1 3 365.890 3.403 20 0 FGADHM O=C([O-])c1cccc(CN2CCC(NC(=O)Nc3ccccc3)CC2)c1 ZINC000586048720 598210745 /nfs/dbraw/zinc/21/07/45/598210745.db2.gz KCWJTVIKEALDHP-UHFFFAOYSA-N -1 3 353.422 3.171 20 0 FGADHM O=C(Nc1cccc(CNc2ccc(-c3nn[n-]n3)cc2F)c1)C1CCC1 ZINC000738182658 598237647 /nfs/dbraw/zinc/23/76/47/598237647.db2.gz HDSRALLWVBALPC-UHFFFAOYSA-N -1 3 366.400 3.357 20 0 FGADHM CCN(CC)C(=O)c1ccc(CNc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000736529473 598238233 /nfs/dbraw/zinc/23/82/33/598238233.db2.gz MBXVDFVGIAZWIV-UHFFFAOYSA-N -1 3 368.416 3.100 20 0 FGADHM Fc1ccc(F)c(CN2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)c1 ZINC000737659584 598249768 /nfs/dbraw/zinc/24/97/68/598249768.db2.gz JPWRIWGEIUQDDY-UHFFFAOYSA-N -1 3 371.391 3.188 20 0 FGADHM Fc1ccc(F)c(CN2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)c1 ZINC000737659584 598249769 /nfs/dbraw/zinc/24/97/69/598249769.db2.gz JPWRIWGEIUQDDY-UHFFFAOYSA-N -1 3 371.391 3.188 20 0 FGADHM Cc1cccc2c1CC[C@@H]2NC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737409513 598255945 /nfs/dbraw/zinc/25/59/45/598255945.db2.gz OUTJAOUOWYYTRF-UGSOOPFHSA-N -1 3 362.437 3.223 20 0 FGADHM Cc1cccc2c1CC[C@@H]2NC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737409513 598255946 /nfs/dbraw/zinc/25/59/46/598255946.db2.gz OUTJAOUOWYYTRF-UGSOOPFHSA-N -1 3 362.437 3.223 20 0 FGADHM CN(Cc1cccs1)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736828515 598275196 /nfs/dbraw/zinc/27/51/96/598275196.db2.gz MZZPGEFLYYTPDW-UHFFFAOYSA-N -1 3 359.459 3.149 20 0 FGADHM CN(Cc1cccs1)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736828515 598275198 /nfs/dbraw/zinc/27/51/98/598275198.db2.gz MZZPGEFLYYTPDW-UHFFFAOYSA-N -1 3 359.459 3.149 20 0 FGADHM CN(Cc1ccsc1)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736829633 598276753 /nfs/dbraw/zinc/27/67/53/598276753.db2.gz IYNJSQOPGPZTLI-UHFFFAOYSA-N -1 3 359.459 3.149 20 0 FGADHM CN(Cc1ccsc1)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736829633 598276754 /nfs/dbraw/zinc/27/67/54/598276754.db2.gz IYNJSQOPGPZTLI-UHFFFAOYSA-N -1 3 359.459 3.149 20 0 FGADHM CC(=CC(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F)c1ccc(F)cc1 ZINC000735449343 598278111 /nfs/dbraw/zinc/27/81/11/598278111.db2.gz PBZWBGQDGHPLQU-PKNBQFBNSA-N -1 3 355.348 3.211 20 0 FGADHM CC(=CC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F)c1ccc(F)cc1 ZINC000735449343 598278113 /nfs/dbraw/zinc/27/81/13/598278113.db2.gz PBZWBGQDGHPLQU-PKNBQFBNSA-N -1 3 355.348 3.211 20 0 FGADHM CCOc1cccc(NC(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)c1 ZINC000736653529 598279810 /nfs/dbraw/zinc/27/98/10/598279810.db2.gz BOBNOIZKJVHRIA-UHFFFAOYSA-N -1 3 369.429 3.466 20 0 FGADHM CCOc1cccc(NC(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)c1 ZINC000736653529 598279811 /nfs/dbraw/zinc/27/98/11/598279811.db2.gz BOBNOIZKJVHRIA-UHFFFAOYSA-N -1 3 369.429 3.466 20 0 FGADHM OCC[C@@H](Nc1ccc(C(F)(F)F)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000823723002 607347234 /nfs/dbraw/zinc/34/72/34/607347234.db2.gz YMLKRDGVAQOOTI-OAHLLOKOSA-N -1 3 363.343 3.421 20 0 FGADHM OCC[C@@H](Nc1ccc(C(F)(F)F)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000823723002 607347236 /nfs/dbraw/zinc/34/72/36/607347236.db2.gz YMLKRDGVAQOOTI-OAHLLOKOSA-N -1 3 363.343 3.421 20 0 FGADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)N[C@H]1CCCCc2ccccc21 ZINC000738117901 598284550 /nfs/dbraw/zinc/28/45/50/598284550.db2.gz YKEYMRQUISMAKX-SFHVURJKSA-N -1 3 362.437 3.134 20 0 FGADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)N[C@H]1CCCCc2ccccc21 ZINC000738117901 598284551 /nfs/dbraw/zinc/28/45/51/598284551.db2.gz YKEYMRQUISMAKX-SFHVURJKSA-N -1 3 362.437 3.134 20 0 FGADHM CN(C(=O)CCc1ccccc1Cl)c1ccc(-c2nnn[n-]2)cc1F ZINC000736731771 598309397 /nfs/dbraw/zinc/30/93/97/598309397.db2.gz HHDODXMFLJXWEM-UHFFFAOYSA-N -1 3 359.792 3.255 20 0 FGADHM CN(C(=O)CCc1ccccc1Cl)c1ccc(-c2nn[n-]n2)cc1F ZINC000736731771 598309399 /nfs/dbraw/zinc/30/93/99/598309399.db2.gz HHDODXMFLJXWEM-UHFFFAOYSA-N -1 3 359.792 3.255 20 0 FGADHM c1ccc(OCCOCCSCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000738435320 598314436 /nfs/dbraw/zinc/31/44/36/598314436.db2.gz KXJYWYPYGXQZMW-UHFFFAOYSA-N -1 3 356.451 3.196 20 0 FGADHM c1ccc(OCCOCCSCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000738435320 598314437 /nfs/dbraw/zinc/31/44/37/598314437.db2.gz KXJYWYPYGXQZMW-UHFFFAOYSA-N -1 3 356.451 3.196 20 0 FGADHM CCOc1ccc(NC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)c(C)c1 ZINC000736646846 598324149 /nfs/dbraw/zinc/32/41/49/598324149.db2.gz LHQWPGZTSODHGB-UHFFFAOYSA-N -1 3 370.388 3.035 20 0 FGADHM CCOc1ccc(NC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)c(C)c1 ZINC000736646846 598324150 /nfs/dbraw/zinc/32/41/50/598324150.db2.gz LHQWPGZTSODHGB-UHFFFAOYSA-N -1 3 370.388 3.035 20 0 FGADHM Cc1ccccc1C1(CNC(=S)Nc2ccccc2-c2nnn[n-]2)CC1 ZINC000737420572 598324306 /nfs/dbraw/zinc/32/43/06/598324306.db2.gz JVJWTRURWMIVGC-UHFFFAOYSA-N -1 3 364.478 3.193 20 0 FGADHM Cc1ccccc1C1(CNC(=S)Nc2ccccc2-c2nn[n-]n2)CC1 ZINC000737420572 598324307 /nfs/dbraw/zinc/32/43/07/598324307.db2.gz JVJWTRURWMIVGC-UHFFFAOYSA-N -1 3 364.478 3.193 20 0 FGADHM C[C@@H]1CCCCN1C(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000736268265 598325565 /nfs/dbraw/zinc/32/55/65/598325565.db2.gz RTFWQLFBNPKZQW-CYBMUJFWSA-N -1 3 367.409 3.053 20 0 FGADHM C[C@@H]1CCCCN1C(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000736268265 598325566 /nfs/dbraw/zinc/32/55/66/598325566.db2.gz RTFWQLFBNPKZQW-CYBMUJFWSA-N -1 3 367.409 3.053 20 0 FGADHM CCC1CCC(CNC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000736395672 598325674 /nfs/dbraw/zinc/32/56/74/598325674.db2.gz JWMZEAOANFBGFS-UHFFFAOYSA-N -1 3 360.437 3.021 20 0 FGADHM CCC1CCC(CNC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000736395672 598325676 /nfs/dbraw/zinc/32/56/76/598325676.db2.gz JWMZEAOANFBGFS-UHFFFAOYSA-N -1 3 360.437 3.021 20 0 FGADHM CCN(C(=O)c1cccc(F)c1F)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736507495 598327375 /nfs/dbraw/zinc/32/73/75/598327375.db2.gz DKOYOXMSPYZMOQ-NSHDSACASA-N -1 3 357.364 3.368 20 0 FGADHM CCN(C(=O)c1cccc(F)c1F)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736507495 598327377 /nfs/dbraw/zinc/32/73/77/598327377.db2.gz DKOYOXMSPYZMOQ-NSHDSACASA-N -1 3 357.364 3.368 20 0 FGADHM Cc1cccc(N(C(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)C(C)C)c1 ZINC000737396710 598328725 /nfs/dbraw/zinc/32/87/25/598328725.db2.gz LCJYMOHAJMETNY-HNNXBMFYSA-N -1 3 365.437 3.384 20 0 FGADHM CCOc1ccc([C@H]2CCCN2C(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000031953864 607353721 /nfs/dbraw/zinc/35/37/21/607353721.db2.gz FFNTVAMMKLBZOE-GOSISDBHSA-N -1 3 363.421 3.243 20 0 FGADHM CCOc1ccc([C@H]2CCCN2C(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000031953864 607353722 /nfs/dbraw/zinc/35/37/22/607353722.db2.gz FFNTVAMMKLBZOE-GOSISDBHSA-N -1 3 363.421 3.243 20 0 FGADHM C[C@@H](CC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1)c1ccccc1F ZINC000735975950 598364770 /nfs/dbraw/zinc/36/47/70/598364770.db2.gz RFTFAIDDHLCDPO-ZDUSSCGKSA-N -1 3 353.401 3.158 20 0 FGADHM C[C@@H](CC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1)c1ccccc1F ZINC000735975950 598364773 /nfs/dbraw/zinc/36/47/73/598364773.db2.gz RFTFAIDDHLCDPO-ZDUSSCGKSA-N -1 3 353.401 3.158 20 0 FGADHM C[C@H](CC(=O)OCCOc1cccc(-c2nnn[n-]2)c1)c1ccccc1F ZINC000735974952 598370853 /nfs/dbraw/zinc/37/08/53/598370853.db2.gz DWXMIGMQQJQDOI-CYBMUJFWSA-N -1 3 370.384 3.122 20 0 FGADHM C[C@H](CC(=O)OCCOc1cccc(-c2nn[n-]n2)c1)c1ccccc1F ZINC000735974952 598370855 /nfs/dbraw/zinc/37/08/55/598370855.db2.gz DWXMIGMQQJQDOI-CYBMUJFWSA-N -1 3 370.384 3.122 20 0 FGADHM O=C(/C=C\Sc1ccccc1)OCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000737794934 598371990 /nfs/dbraw/zinc/37/19/90/598371990.db2.gz HCAJZTFVNWZQCW-RAXLEYEMSA-N -1 3 368.418 3.095 20 0 FGADHM CC1(c2ccccc2)CC(NC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000736225139 598372596 /nfs/dbraw/zinc/37/25/96/598372596.db2.gz WEUXGVAYZOITPM-UHFFFAOYSA-N -1 3 366.400 3.248 20 0 FGADHM CC1(c2ccccc2)CC(NC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000736225139 598372598 /nfs/dbraw/zinc/37/25/98/598372598.db2.gz WEUXGVAYZOITPM-UHFFFAOYSA-N -1 3 366.400 3.248 20 0 FGADHM C[C@H](NC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C)c1cccc(O)c1 ZINC000736114282 598375733 /nfs/dbraw/zinc/37/57/33/598375733.db2.gz AGRFMBSGANYTOZ-NSHDSACASA-N -1 3 369.429 3.012 20 0 FGADHM C[C@H](NC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C)c1cccc(O)c1 ZINC000736114282 598375736 /nfs/dbraw/zinc/37/57/36/598375736.db2.gz AGRFMBSGANYTOZ-NSHDSACASA-N -1 3 369.429 3.012 20 0 FGADHM C[C@H](c1ccccc1)N(C(=O)CNc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000736204915 598383721 /nfs/dbraw/zinc/38/37/21/598383721.db2.gz SYFWVUWWUNJRJS-CQSZACIVSA-N -1 3 362.437 3.031 20 0 FGADHM c1ccc2c(c1)SCCCN2CCOc1ccc(-c2nn[n-]n2)cc1 ZINC000738443427 598385946 /nfs/dbraw/zinc/38/59/46/598385946.db2.gz VZIIYRFGSQEFIE-UHFFFAOYSA-N -1 3 353.451 3.248 20 0 FGADHM CN(CCOc1cccc(Cl)c1)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000736802668 598387504 /nfs/dbraw/zinc/38/75/04/598387504.db2.gz VOEFUVYGYYTGCT-UHFFFAOYSA-N -1 3 365.224 3.084 20 0 FGADHM CN(CCOc1cccc(Cl)c1)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000736802668 598387506 /nfs/dbraw/zinc/38/75/06/598387506.db2.gz VOEFUVYGYYTGCT-UHFFFAOYSA-N -1 3 365.224 3.084 20 0 FGADHM COc1ccc(OC(C)C)c(NC(=O)Nc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737107701 598389802 /nfs/dbraw/zinc/38/98/02/598389802.db2.gz FZUMWEGIVIWMCI-UHFFFAOYSA-N -1 3 368.397 3.307 20 0 FGADHM COc1ccc(OC(C)C)c(NC(=O)Nc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737107701 598389804 /nfs/dbraw/zinc/38/98/04/598389804.db2.gz FZUMWEGIVIWMCI-UHFFFAOYSA-N -1 3 368.397 3.307 20 0 FGADHM C[C@@H](CCc1ccc2c(c1)OCO2)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC000735986692 598391861 /nfs/dbraw/zinc/39/18/61/598391861.db2.gz PEXCPYWZFFMZKG-JTQLQIEISA-N -1 3 372.816 3.077 20 0 FGADHM C[C@@H](CCc1ccc2c(c1)OCO2)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC000735986692 598391863 /nfs/dbraw/zinc/39/18/63/598391863.db2.gz PEXCPYWZFFMZKG-JTQLQIEISA-N -1 3 372.816 3.077 20 0 FGADHM COc1ccc(OC(C)C)c(NCc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000737110209 598403384 /nfs/dbraw/zinc/40/33/84/598403384.db2.gz YAENHGAXRRCCKR-UHFFFAOYSA-N -1 3 357.389 3.414 20 0 FGADHM COc1ccc(OC(C)C)c(NCc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000737110209 598403386 /nfs/dbraw/zinc/40/33/86/598403386.db2.gz YAENHGAXRRCCKR-UHFFFAOYSA-N -1 3 357.389 3.414 20 0 FGADHM COc1ccc([C@@H](C)C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)cc1 ZINC000737073842 598440862 /nfs/dbraw/zinc/44/08/62/598440862.db2.gz UJJJFKCMXQNCBM-SNVBAGLBSA-N -1 3 357.801 3.271 20 0 FGADHM COc1ccc([C@@H](C)C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)cc1 ZINC000737073842 598440863 /nfs/dbraw/zinc/44/08/63/598440863.db2.gz UJJJFKCMXQNCBM-SNVBAGLBSA-N -1 3 357.801 3.271 20 0 FGADHM CC(=CC(=O)NCc1cccc(-c2nnn[n-]2)c1)c1ccccc1Cl ZINC000735449571 598442351 /nfs/dbraw/zinc/44/23/51/598442351.db2.gz RGBKYZSAHAKXJX-XFXZXTDPSA-N -1 3 353.813 3.240 20 0 FGADHM CC(=CC(=O)NCc1cccc(-c2nn[n-]n2)c1)c1ccccc1Cl ZINC000735449571 598442352 /nfs/dbraw/zinc/44/23/52/598442352.db2.gz RGBKYZSAHAKXJX-XFXZXTDPSA-N -1 3 353.813 3.240 20 0 FGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H](CC)c1c(C)noc1C ZINC000736636719 598443466 /nfs/dbraw/zinc/44/34/66/598443466.db2.gz QYYXDVUGQMZTLE-ZDUSSCGKSA-N -1 3 370.413 3.003 20 0 FGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H](CC)c1c(C)noc1C ZINC000736636719 598443468 /nfs/dbraw/zinc/44/34/68/598443468.db2.gz QYYXDVUGQMZTLE-ZDUSSCGKSA-N -1 3 370.413 3.003 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccc2[nH]ccc2c1 ZINC000736480071 598459027 /nfs/dbraw/zinc/45/90/27/598459027.db2.gz JJRHBTOYBPTAQW-UHFFFAOYSA-N -1 3 360.421 3.400 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccc2[nH]ccc2c1 ZINC000736480071 598459028 /nfs/dbraw/zinc/45/90/28/598459028.db2.gz JJRHBTOYBPTAQW-UHFFFAOYSA-N -1 3 360.421 3.400 20 0 FGADHM Fc1ccc(-c2nc(CNCc3cccc(-c4nn[n-]n4)c3)cs2)cc1 ZINC000737648681 598465798 /nfs/dbraw/zinc/46/57/98/598465798.db2.gz BKKPEIMGDILMTJ-UHFFFAOYSA-N -1 3 366.425 3.419 20 0 FGADHM COc1cc(Cl)ccc1CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC000737048161 598469173 /nfs/dbraw/zinc/46/91/73/598469173.db2.gz XEQDEZSKJRHZAE-UHFFFAOYSA-N -1 3 351.197 3.189 20 0 FGADHM COc1cc(Cl)ccc1CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC000737048161 598469174 /nfs/dbraw/zinc/46/91/74/598469174.db2.gz XEQDEZSKJRHZAE-UHFFFAOYSA-N -1 3 351.197 3.189 20 0 FGADHM COc1ccccc1C(C)=CC(=O)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000737143102 598475012 /nfs/dbraw/zinc/47/50/12/598475012.db2.gz SCZLTOFQMGZFMO-QBFSEMIESA-N -1 3 350.378 3.022 20 0 FGADHM COc1ccccc1C(C)=CC(=O)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000737143102 598475013 /nfs/dbraw/zinc/47/50/13/598475013.db2.gz SCZLTOFQMGZFMO-QBFSEMIESA-N -1 3 350.378 3.022 20 0 FGADHM CC(C)Oc1ccc(F)cc1NC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000735915854 598475882 /nfs/dbraw/zinc/47/58/82/598475882.db2.gz SXRUDHPXYHFPFW-UHFFFAOYSA-N -1 3 370.388 3.115 20 0 FGADHM CC(C)Oc1ccc(F)cc1NC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000735915854 598475884 /nfs/dbraw/zinc/47/58/84/598475884.db2.gz SXRUDHPXYHFPFW-UHFFFAOYSA-N -1 3 370.388 3.115 20 0 FGADHM C[C@H]1CCCC[C@H]1NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000736271049 598476252 /nfs/dbraw/zinc/47/62/52/598476252.db2.gz MGJTWWSQHKWZRQ-SUMWQHHRSA-N -1 3 354.458 3.119 20 0 FGADHM C[C@H]1CCCC[C@H]1NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000736271049 598476253 /nfs/dbraw/zinc/47/62/53/598476253.db2.gz MGJTWWSQHKWZRQ-SUMWQHHRSA-N -1 3 354.458 3.119 20 0 FGADHM Cc1ccn(-c2ccc(C(=O)O[C@H](C)c3cccc(-c4nnn[n-]4)c3)cc2)n1 ZINC000737434828 598485191 /nfs/dbraw/zinc/48/51/91/598485191.db2.gz CPYFYUBOCUBSHI-CQSZACIVSA-N -1 3 374.404 3.279 20 0 FGADHM Cc1ccn(-c2ccc(C(=O)O[C@H](C)c3cccc(-c4nn[n-]n4)c3)cc2)n1 ZINC000737434828 598485192 /nfs/dbraw/zinc/48/51/92/598485192.db2.gz CPYFYUBOCUBSHI-CQSZACIVSA-N -1 3 374.404 3.279 20 0 FGADHM Cc1cc2ccccc2n1CC(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000737286135 598486549 /nfs/dbraw/zinc/48/65/49/598486549.db2.gz ZPTGPLJVHTVDSK-AWEZNQCLSA-N -1 3 361.405 3.434 20 0 FGADHM Cc1cc2ccccc2n1CC(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000737286135 598486551 /nfs/dbraw/zinc/48/65/51/598486551.db2.gz ZPTGPLJVHTVDSK-AWEZNQCLSA-N -1 3 361.405 3.434 20 0 FGADHM CCc1nc(C)c(C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)s1 ZINC000736701099 598489990 /nfs/dbraw/zinc/48/99/90/598489990.db2.gz ZBCDHAABUHXGPZ-UHFFFAOYSA-N -1 3 359.459 3.003 20 0 FGADHM CCc1nc(C)c(C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)s1 ZINC000736701099 598489991 /nfs/dbraw/zinc/48/99/91/598489991.db2.gz ZBCDHAABUHXGPZ-UHFFFAOYSA-N -1 3 359.459 3.003 20 0 FGADHM O=C(Oc1ccccc1OCC(F)(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000738246567 598492321 /nfs/dbraw/zinc/49/23/21/598492321.db2.gz HKGGGISKALJUKU-UHFFFAOYSA-N -1 3 364.283 3.027 20 0 FGADHM O=C(Oc1ccccc1OCC(F)(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000738246567 598492322 /nfs/dbraw/zinc/49/23/22/598492322.db2.gz HKGGGISKALJUKU-UHFFFAOYSA-N -1 3 364.283 3.027 20 0 FGADHM Cc1cccc(C)c1NC(=O)CN(C)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000737390981 598493384 /nfs/dbraw/zinc/49/33/84/598493384.db2.gz VNKHBWOCSQDZRF-UHFFFAOYSA-N -1 3 370.844 3.212 20 0 FGADHM Cc1cccc(C)c1NC(=O)CN(C)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000737390981 598493385 /nfs/dbraw/zinc/49/33/85/598493385.db2.gz VNKHBWOCSQDZRF-UHFFFAOYSA-N -1 3 370.844 3.212 20 0 FGADHM Fc1cc(Br)ccc1CCNc1ccc(-c2nn[n-]n2)cc1 ZINC000737644752 598503830 /nfs/dbraw/zinc/50/38/30/598503830.db2.gz LLZHPWNVSKEZJE-UHFFFAOYSA-N -1 3 362.206 3.423 20 0 FGADHM Clc1ccc(NCc2cnn(-c3ccccc3)c2)c(-c2nnn[n-]2)c1 ZINC000737574682 598508585 /nfs/dbraw/zinc/50/85/85/598508585.db2.gz NZOSINFZPNLLPL-UHFFFAOYSA-N -1 3 351.801 3.318 20 0 FGADHM Clc1ccc(NCc2cnn(-c3ccccc3)c2)c(-c2nn[n-]n2)c1 ZINC000737574682 598508587 /nfs/dbraw/zinc/50/85/87/598508587.db2.gz NZOSINFZPNLLPL-UHFFFAOYSA-N -1 3 351.801 3.318 20 0 FGADHM CCc1c(C)sc(NC(=O)[C@@H](C)c2c(C)noc2C)c1-c1nnn[n-]1 ZINC000736672109 598515610 /nfs/dbraw/zinc/51/56/10/598515610.db2.gz YPBZJPRGOQOHHU-ZETCQYMHSA-N -1 3 360.443 3.146 20 0 FGADHM CCc1c(C)sc(NC(=O)[C@@H](C)c2c(C)noc2C)c1-c1nn[n-]n1 ZINC000736672109 598515612 /nfs/dbraw/zinc/51/56/12/598515612.db2.gz YPBZJPRGOQOHHU-ZETCQYMHSA-N -1 3 360.443 3.146 20 0 FGADHM CCc1c(C)sc(NC(=O)CSCc2cccnc2)c1-c1nnn[n-]1 ZINC000736674498 598515937 /nfs/dbraw/zinc/51/59/37/598515937.db2.gz CVCJFQNGCSTLCE-UHFFFAOYSA-N -1 3 374.495 3.066 20 0 FGADHM CCc1c(C)sc(NC(=O)CSCc2cccnc2)c1-c1nn[n-]n1 ZINC000736674498 598515939 /nfs/dbraw/zinc/51/59/39/598515939.db2.gz CVCJFQNGCSTLCE-UHFFFAOYSA-N -1 3 374.495 3.066 20 0 FGADHM c1c2c(nc(SCc3noc4c3CCCC4)c1-c1nnn[n-]1)CCCC2 ZINC000738405431 598532659 /nfs/dbraw/zinc/53/26/59/598532659.db2.gz PPHQGATUGSLJOJ-UHFFFAOYSA-N -1 3 368.466 3.300 20 0 FGADHM c1c2c(nc(SCc3noc4c3CCCC4)c1-c1nn[n-]n1)CCCC2 ZINC000738405431 598532661 /nfs/dbraw/zinc/53/26/61/598532661.db2.gz PPHQGATUGSLJOJ-UHFFFAOYSA-N -1 3 368.466 3.300 20 0 FGADHM Cc1ccc(C[C@@H](C)NC(=S)Nc2ccccc2-c2nnn[n-]2)c(C)c1 ZINC000737334899 598533687 /nfs/dbraw/zinc/53/36/87/598533687.db2.gz OKVKCUWMTJUEIJ-CQSZACIVSA-N -1 3 366.494 3.401 20 0 FGADHM Cc1ccc(C[C@@H](C)NC(=S)Nc2ccccc2-c2nn[n-]n2)c(C)c1 ZINC000737334899 598533689 /nfs/dbraw/zinc/53/36/89/598533689.db2.gz OKVKCUWMTJUEIJ-CQSZACIVSA-N -1 3 366.494 3.401 20 0 FGADHM CC[C@H](Cc1ccccc1)NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC000736353819 598534585 /nfs/dbraw/zinc/53/45/85/598534585.db2.gz YYSZWBJVWULMHX-OAHLLOKOSA-N -1 3 366.425 3.018 20 0 FGADHM CC[C@H](Cc1ccccc1)NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC000736353819 598534586 /nfs/dbraw/zinc/53/45/86/598534586.db2.gz YYSZWBJVWULMHX-OAHLLOKOSA-N -1 3 366.425 3.018 20 0 FGADHM CCNC(=S)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000736577291 598537681 /nfs/dbraw/zinc/53/76/81/598537681.db2.gz FOCKVMGBGRTKFA-UHFFFAOYSA-N -1 3 368.466 3.060 20 0 FGADHM CCNC(=S)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000736577291 598537682 /nfs/dbraw/zinc/53/76/82/598537682.db2.gz FOCKVMGBGRTKFA-UHFFFAOYSA-N -1 3 368.466 3.060 20 0 FGADHM C[C@@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)C(C)(C)c1ccccc1 ZINC000736101620 598541440 /nfs/dbraw/zinc/54/14/40/598541440.db2.gz OKCINEIHQOGYNI-SEWDUPMJSA-N -1 3 361.449 3.362 20 0 FGADHM C[C@@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)C(C)(C)c1ccccc1 ZINC000736101620 598541442 /nfs/dbraw/zinc/54/14/42/598541442.db2.gz OKCINEIHQOGYNI-SEWDUPMJSA-N -1 3 361.449 3.362 20 0 FGADHM O=C(OCCCc1c(F)cccc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000738223785 598544114 /nfs/dbraw/zinc/54/41/14/598544114.db2.gz WJPMHYKUKFPPCH-UHFFFAOYSA-N -1 3 360.776 3.449 20 0 FGADHM O=C(OCCCc1c(F)cccc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000738223785 598544116 /nfs/dbraw/zinc/54/41/16/598544116.db2.gz WJPMHYKUKFPPCH-UHFFFAOYSA-N -1 3 360.776 3.449 20 0 FGADHM CC(C)(CNC(=O)c1sccc1-c1nnn[n-]1)c1ccccc1Cl ZINC000735670091 598547637 /nfs/dbraw/zinc/54/76/37/598547637.db2.gz CCVYQDSVCCRFTO-UHFFFAOYSA-N -1 3 361.858 3.289 20 0 FGADHM CC(C)(CNC(=O)c1sccc1-c1nn[n-]n1)c1ccccc1Cl ZINC000735670091 598547639 /nfs/dbraw/zinc/54/76/39/598547639.db2.gz CCVYQDSVCCRFTO-UHFFFAOYSA-N -1 3 361.858 3.289 20 0 FGADHM Cc1cccc(C(C)C)c1NC(=O)COc1ccc(-c2nnn[n-]2)c(F)c1 ZINC000737390800 598552050 /nfs/dbraw/zinc/55/20/50/598552050.db2.gz VYNOTUMYMNPSNT-UHFFFAOYSA-N -1 3 369.400 3.455 20 0 FGADHM Cc1cccc(C(C)C)c1NC(=O)COc1ccc(-c2nn[n-]n2)c(F)c1 ZINC000737390800 598552052 /nfs/dbraw/zinc/55/20/52/598552052.db2.gz VYNOTUMYMNPSNT-UHFFFAOYSA-N -1 3 369.400 3.455 20 0 FGADHM CSC[C@H](C)C(=O)N(Cc1ccccc1)c1ccccc1-c1nnn[n-]1 ZINC000737180901 598553402 /nfs/dbraw/zinc/55/34/02/598553402.db2.gz SXAHUOHOIGWUQH-AWEZNQCLSA-N -1 3 367.478 3.399 20 0 FGADHM CSC[C@H](C)C(=O)N(Cc1ccccc1)c1ccccc1-c1nn[n-]n1 ZINC000737180901 598553403 /nfs/dbraw/zinc/55/34/03/598553403.db2.gz SXAHUOHOIGWUQH-AWEZNQCLSA-N -1 3 367.478 3.399 20 0 FGADHM CCCc1nc(COc2ccc(-c3ccc(-c4nnn[n-]4)cc3)cc2)no1 ZINC000736495217 598566172 /nfs/dbraw/zinc/56/61/72/598566172.db2.gz JTBMGRBUWJUPCE-UHFFFAOYSA-N -1 3 362.393 3.448 20 0 FGADHM CCCc1nc(COc2ccc(-c3ccc(-c4nn[n-]n4)cc3)cc2)no1 ZINC000736495217 598566174 /nfs/dbraw/zinc/56/61/74/598566174.db2.gz JTBMGRBUWJUPCE-UHFFFAOYSA-N -1 3 362.393 3.448 20 0 FGADHM O=C(OCc1cc(-c2nnn[n-]2)ccc1F)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000738236655 598584238 /nfs/dbraw/zinc/58/42/38/598584238.db2.gz NXCWYWVZAIFNRQ-QWHCGFSZSA-N -1 3 374.322 3.131 20 0 FGADHM O=C(OCc1cc(-c2nn[n-]n2)ccc1F)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000738236655 598584241 /nfs/dbraw/zinc/58/42/41/598584241.db2.gz NXCWYWVZAIFNRQ-QWHCGFSZSA-N -1 3 374.322 3.131 20 0 FGADHM CC(=O)c1cc(F)cc(F)c1OCCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000735497057 598584592 /nfs/dbraw/zinc/58/45/92/598584592.db2.gz NTNVXTKPBDNFDT-UHFFFAOYSA-N -1 3 374.347 3.195 20 0 FGADHM CC(C)OCc1ccc(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000735903057 598588467 /nfs/dbraw/zinc/58/84/67/598588467.db2.gz DEJLXUBTMQPFNY-UHFFFAOYSA-N -1 3 355.373 3.183 20 0 FGADHM CC(C)OCc1ccc(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000735903057 598588469 /nfs/dbraw/zinc/58/84/69/598588469.db2.gz DEJLXUBTMQPFNY-UHFFFAOYSA-N -1 3 355.373 3.183 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NCc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000737297048 598593572 /nfs/dbraw/zinc/59/35/72/598593572.db2.gz RJKWQGAKKVSVBK-UHFFFAOYSA-N -1 3 373.416 3.382 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NCc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000737297048 598593574 /nfs/dbraw/zinc/59/35/74/598593574.db2.gz RJKWQGAKKVSVBK-UHFFFAOYSA-N -1 3 373.416 3.382 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1cc2ccc(Cl)cc2[nH]1 ZINC000738165942 598599880 /nfs/dbraw/zinc/59/98/80/598599880.db2.gz HUHDEZARQYOPBQ-UHFFFAOYSA-N -1 3 356.748 3.393 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1cc2ccc(Cl)cc2[nH]1 ZINC000738165942 598599882 /nfs/dbraw/zinc/59/98/82/598599882.db2.gz HUHDEZARQYOPBQ-UHFFFAOYSA-N -1 3 356.748 3.393 20 0 FGADHM Cc1[nH]c2c(cccc2C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c1C ZINC000737197704 598600533 /nfs/dbraw/zinc/60/05/33/598600533.db2.gz CSYLCLJKYOPDIV-UHFFFAOYSA-N -1 3 350.357 3.356 20 0 FGADHM Cc1[nH]c2c(cccc2C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c1C ZINC000737197704 598600535 /nfs/dbraw/zinc/60/05/35/598600535.db2.gz CSYLCLJKYOPDIV-UHFFFAOYSA-N -1 3 350.357 3.356 20 0 FGADHM Cc1cccc(OC(F)F)c1NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000737401998 598602290 /nfs/dbraw/zinc/60/22/90/598602290.db2.gz RMVJCPOQGFFTCW-UHFFFAOYSA-N -1 3 361.352 3.267 20 0 FGADHM Clc1ccccc1Cc1noc(CCc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000737584584 598610226 /nfs/dbraw/zinc/61/02/26/598610226.db2.gz UADCAYMEOYOUQX-UHFFFAOYSA-N -1 3 366.812 3.279 20 0 FGADHM Clc1ccccc1Cc1noc(CCc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737584584 598610228 /nfs/dbraw/zinc/61/02/28/598610228.db2.gz UADCAYMEOYOUQX-UHFFFAOYSA-N -1 3 366.812 3.279 20 0 FGADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)c1nc(-c2cccc(F)c2)no1 ZINC000736170818 598612112 /nfs/dbraw/zinc/61/21/12/598612112.db2.gz XPYRQDRVFIXYQL-SNVBAGLBSA-N -1 3 352.329 3.196 20 0 FGADHM O[C@H](c1ccccc1)C1CCN(c2cc(Cl)ccc2-c2nnn[n-]2)CC1 ZINC000738386444 598632553 /nfs/dbraw/zinc/63/25/53/598632553.db2.gz KZAFZPDSBXEBHT-GOSISDBHSA-N -1 3 369.856 3.470 20 0 FGADHM O[C@H](c1ccccc1)C1CCN(c2cc(Cl)ccc2-c2nn[n-]n2)CC1 ZINC000738386444 598632555 /nfs/dbraw/zinc/63/25/55/598632555.db2.gz KZAFZPDSBXEBHT-GOSISDBHSA-N -1 3 369.856 3.470 20 0 FGADHM Cc1ccc2c(c1)N(C(=S)Nc1ccccc1-c1nnn[n-]1)CCC2 ZINC000737377850 598643706 /nfs/dbraw/zinc/64/37/06/598643706.db2.gz QTPIVHMAWSDXCT-UHFFFAOYSA-N -1 3 350.451 3.325 20 0 FGADHM Cc1ccc2c(c1)N(C(=S)Nc1ccccc1-c1nn[n-]n1)CCC2 ZINC000737377850 598643708 /nfs/dbraw/zinc/64/37/08/598643708.db2.gz QTPIVHMAWSDXCT-UHFFFAOYSA-N -1 3 350.451 3.325 20 0 FGADHM COc1ccccc1NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000737153170 598644019 /nfs/dbraw/zinc/64/40/19/598644019.db2.gz XGGNWMYZFZSZLM-UHFFFAOYSA-N -1 3 367.409 3.063 20 0 FGADHM COc1ccccc1NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000737153170 598644021 /nfs/dbraw/zinc/64/40/21/598644021.db2.gz XGGNWMYZFZSZLM-UHFFFAOYSA-N -1 3 367.409 3.063 20 0 FGADHM CCCCCCNC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000736448469 598645257 /nfs/dbraw/zinc/64/52/57/598645257.db2.gz ZRMGMIPQSCCYNH-UHFFFAOYSA-N -1 3 366.425 3.364 20 0 FGADHM CCCCCCNC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000736448469 598645258 /nfs/dbraw/zinc/64/52/58/598645258.db2.gz ZRMGMIPQSCCYNH-UHFFFAOYSA-N -1 3 366.425 3.364 20 0 FGADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)Nc1ccc(F)cc1F ZINC000737833567 598645588 /nfs/dbraw/zinc/64/55/88/598645588.db2.gz WKCSVYSJUJPIPU-UHFFFAOYSA-N -1 3 373.363 3.333 20 0 FGADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)Nc1ccc(F)cc1F ZINC000737833567 598645590 /nfs/dbraw/zinc/64/55/90/598645590.db2.gz WKCSVYSJUJPIPU-UHFFFAOYSA-N -1 3 373.363 3.333 20 0 FGADHM C[C@@H]1CCCC[C@@H]1NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736267039 598646142 /nfs/dbraw/zinc/64/61/42/598646142.db2.gz ADKGNFBAGGQIRZ-PBHICJAKSA-N -1 3 357.458 3.111 20 0 FGADHM C[C@@H]1CCCC[C@@H]1NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736267039 598646144 /nfs/dbraw/zinc/64/61/44/598646144.db2.gz ADKGNFBAGGQIRZ-PBHICJAKSA-N -1 3 357.458 3.111 20 0 FGADHM O=C(NCc1ccco1)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000738123026 598646926 /nfs/dbraw/zinc/64/69/26/598646926.db2.gz DCSHYFZRLAAJCM-UHFFFAOYSA-N -1 3 361.361 3.182 20 0 FGADHM O=C(NCc1ccco1)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738123026 598646928 /nfs/dbraw/zinc/64/69/28/598646928.db2.gz DCSHYFZRLAAJCM-UHFFFAOYSA-N -1 3 361.361 3.182 20 0 FGADHM Cc1ccccc1[C@H](C)NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000737424837 598648986 /nfs/dbraw/zinc/64/89/86/598648986.db2.gz XVXATVASMJFVFG-ZDUSSCGKSA-N -1 3 353.451 3.145 20 0 FGADHM Cc1ccccc1[C@H](C)NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000737424837 598648987 /nfs/dbraw/zinc/64/89/87/598648987.db2.gz XVXATVASMJFVFG-ZDUSSCGKSA-N -1 3 353.451 3.145 20 0 FGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)Nc1cccc2ncccc21 ZINC000737946356 598649585 /nfs/dbraw/zinc/64/95/85/598649585.db2.gz CAZDHGTWTUKAMR-UHFFFAOYSA-N -1 3 362.418 3.146 20 0 FGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)Nc1cccc2ncccc21 ZINC000737946356 598649587 /nfs/dbraw/zinc/64/95/87/598649587.db2.gz CAZDHGTWTUKAMR-UHFFFAOYSA-N -1 3 362.418 3.146 20 0 FGADHM CCOC(=O)N[C@H](CNc1ccc(-c2nnn[n-]2)c(Cl)c1)CC(C)C ZINC000736600039 598650450 /nfs/dbraw/zinc/65/04/50/598650450.db2.gz HGKSQKRDYPUOHC-LBPRGKRZSA-N -1 3 366.853 3.093 20 0 FGADHM CCOC(=O)N[C@H](CNc1ccc(-c2nn[n-]n2)c(Cl)c1)CC(C)C ZINC000736600039 598650452 /nfs/dbraw/zinc/65/04/52/598650452.db2.gz HGKSQKRDYPUOHC-LBPRGKRZSA-N -1 3 366.853 3.093 20 0 FGADHM CCN(CC(C)C)C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000736512119 598651480 /nfs/dbraw/zinc/65/14/80/598651480.db2.gz HUWDWGXTCNWNKC-UHFFFAOYSA-N -1 3 366.425 3.172 20 0 FGADHM CCN(CC(C)C)C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000736512119 598651482 /nfs/dbraw/zinc/65/14/82/598651482.db2.gz HUWDWGXTCNWNKC-UHFFFAOYSA-N -1 3 366.425 3.172 20 0 FGADHM C[C@H]1CCC[C@H](CNC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)C1 ZINC000736254088 598654218 /nfs/dbraw/zinc/65/42/18/598654218.db2.gz XSVVLAXEZATAOK-HOTGVXAUSA-N -1 3 371.485 3.358 20 0 FGADHM C[C@H]1CCC[C@H](CNC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)C1 ZINC000736254088 598654219 /nfs/dbraw/zinc/65/42/19/598654219.db2.gz XSVVLAXEZATAOK-HOTGVXAUSA-N -1 3 371.485 3.358 20 0 FGADHM Cc1nccn1-c1ccc(CNc2ccc(-c3nnn[n-]3)c(Cl)c2)cn1 ZINC000737500100 598655339 /nfs/dbraw/zinc/65/53/39/598655339.db2.gz CGTRSUXFSMUOFK-UHFFFAOYSA-N -1 3 366.816 3.021 20 0 FGADHM Cc1nccn1-c1ccc(CNc2ccc(-c3nn[n-]n3)c(Cl)c2)cn1 ZINC000737500100 598655340 /nfs/dbraw/zinc/65/53/40/598655340.db2.gz CGTRSUXFSMUOFK-UHFFFAOYSA-N -1 3 366.816 3.021 20 0 FGADHM CC(C)(NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000735671878 598661198 /nfs/dbraw/zinc/66/11/98/598661198.db2.gz PKABSCSETRIZOT-KPKJPENVSA-N -1 3 351.385 3.071 20 0 FGADHM CC(C)(NC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000735671878 598661199 /nfs/dbraw/zinc/66/11/99/598661199.db2.gz PKABSCSETRIZOT-KPKJPENVSA-N -1 3 351.385 3.071 20 0 FGADHM CN(C(=O)c1cccc(-c2nnn[n-]2)c1)c1cccc(OC(F)(F)F)c1 ZINC000736742577 598661981 /nfs/dbraw/zinc/66/19/81/598661981.db2.gz OYFYMODFGHHXPV-UHFFFAOYSA-N -1 3 363.299 3.042 20 0 FGADHM CN(C(=O)c1cccc(-c2nn[n-]n2)c1)c1cccc(OC(F)(F)F)c1 ZINC000736742577 598661982 /nfs/dbraw/zinc/66/19/82/598661982.db2.gz OYFYMODFGHHXPV-UHFFFAOYSA-N -1 3 363.299 3.042 20 0 FGADHM CC[C@@H](C)CN(C)C(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000736323754 598666890 /nfs/dbraw/zinc/66/68/90/598666890.db2.gz YMVXUBOBFQSHLD-CYBMUJFWSA-N -1 3 369.425 3.157 20 0 FGADHM CC[C@@H](C)CN(C)C(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000736323754 598666892 /nfs/dbraw/zinc/66/68/92/598666892.db2.gz YMVXUBOBFQSHLD-CYBMUJFWSA-N -1 3 369.425 3.157 20 0 FGADHM CCCN(C(=O)COc1ccccc1-c1nnn[n-]1)c1ccc(Cl)cc1 ZINC000736470557 598668132 /nfs/dbraw/zinc/66/81/32/598668132.db2.gz RSPLLXUYXTVKHS-UHFFFAOYSA-N -1 3 371.828 3.342 20 0 FGADHM CCCN(C(=O)COc1ccccc1-c1nn[n-]n1)c1ccc(Cl)cc1 ZINC000736470557 598668133 /nfs/dbraw/zinc/66/81/33/598668133.db2.gz RSPLLXUYXTVKHS-UHFFFAOYSA-N -1 3 371.828 3.342 20 0 FGADHM O[C@H](CNc1cccc(F)c1-c1nnn[n-]1)c1ccc(Cl)cc1Cl ZINC000738384508 598678830 /nfs/dbraw/zinc/67/88/30/598678830.db2.gz RLMHFHKPAUNXFY-CYBMUJFWSA-N -1 3 368.199 3.458 20 0 FGADHM O[C@H](CNc1cccc(F)c1-c1nn[n-]n1)c1ccc(Cl)cc1Cl ZINC000738384508 598678832 /nfs/dbraw/zinc/67/88/32/598678832.db2.gz RLMHFHKPAUNXFY-CYBMUJFWSA-N -1 3 368.199 3.458 20 0 FGADHM Cc1oc(NC(=O)CN(C)[C@@H](C)c2ccc(C)cc2)c(-c2nnn[n-]2)c1C ZINC000822229391 607364481 /nfs/dbraw/zinc/36/44/81/607364481.db2.gz TWIWTXPQPLIEOI-ZDUSSCGKSA-N -1 3 368.441 3.016 20 0 FGADHM c1cc(CNc2ccc(-c3nn[n-]n3)cc2)cc(COC2CCOCC2)c1 ZINC000738413097 598682614 /nfs/dbraw/zinc/68/26/14/598682614.db2.gz NBSYPNOZDRRTQA-UHFFFAOYSA-N -1 3 365.437 3.174 20 0 FGADHM C[C@@H](SCc1ccc(F)cc1-c1nnn[n-]1)C(=O)NC1CCCCC1 ZINC000736192418 598696384 /nfs/dbraw/zinc/69/63/84/598696384.db2.gz YVPBBEAWIQWMCD-LLVKDONJSA-N -1 3 363.462 3.076 20 0 FGADHM C[C@@H](SCc1ccc(F)cc1-c1nn[n-]n1)C(=O)NC1CCCCC1 ZINC000736192418 598696386 /nfs/dbraw/zinc/69/63/86/598696386.db2.gz YVPBBEAWIQWMCD-LLVKDONJSA-N -1 3 363.462 3.076 20 0 FGADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)Nc1ccnc(-c2ccccc2)c1 ZINC000737955417 598697634 /nfs/dbraw/zinc/69/76/34/598697634.db2.gz GNEUWRFFPDMEFC-UHFFFAOYSA-N -1 3 356.389 3.110 20 0 FGADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)Nc1ccnc(-c2ccccc2)c1 ZINC000737955417 598697635 /nfs/dbraw/zinc/69/76/35/598697635.db2.gz GNEUWRFFPDMEFC-UHFFFAOYSA-N -1 3 356.389 3.110 20 0 FGADHM COc1cc(C)cc(OC)c1OCCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000737041018 598698583 /nfs/dbraw/zinc/69/85/83/598698583.db2.gz SMVACTMLIZOHIP-UHFFFAOYSA-N -1 3 370.409 3.040 20 0 FGADHM O=C(c1sccc1-c1nnn[n-]1)N1CCC(Cc2ccccc2F)CC1 ZINC000738293534 598699175 /nfs/dbraw/zinc/69/91/75/598699175.db2.gz XICPCRAZQMXURX-UHFFFAOYSA-N -1 3 371.441 3.162 20 0 FGADHM O=C(c1sccc1-c1nn[n-]n1)N1CCC(Cc2ccccc2F)CC1 ZINC000738293534 598699176 /nfs/dbraw/zinc/69/91/76/598699176.db2.gz XICPCRAZQMXURX-UHFFFAOYSA-N -1 3 371.441 3.162 20 0 FGADHM O=C(COC(=O)c1csc2ccccc12)c1cccc(-c2nnn[n-]2)c1 ZINC000826416925 607363288 /nfs/dbraw/zinc/36/32/88/607363288.db2.gz WUSYCELLURENPU-UHFFFAOYSA-N -1 3 364.386 3.121 20 0 FGADHM O=C(COC(=O)c1csc2ccccc12)c1cccc(-c2nn[n-]n2)c1 ZINC000826416925 607363289 /nfs/dbraw/zinc/36/32/89/607363289.db2.gz WUSYCELLURENPU-UHFFFAOYSA-N -1 3 364.386 3.121 20 0 FGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N1CC[C@@H](c2ccco2)C1 ZINC000735659793 598713551 /nfs/dbraw/zinc/71/35/51/598713551.db2.gz FEPAOFUBJMVACJ-GFCCVEGCSA-N -1 3 369.429 3.038 20 0 FGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N1CC[C@@H](c2ccco2)C1 ZINC000735659793 598713553 /nfs/dbraw/zinc/71/35/53/598713553.db2.gz FEPAOFUBJMVACJ-GFCCVEGCSA-N -1 3 369.429 3.038 20 0 FGADHM Cc1ccc(NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)c(O)c1 ZINC000737355956 598717958 /nfs/dbraw/zinc/71/79/58/598717958.db2.gz NGUUGJKQDYVBRJ-UHFFFAOYSA-N -1 3 367.409 3.069 20 0 FGADHM Cc1ccc(NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)c(O)c1 ZINC000737355956 598717960 /nfs/dbraw/zinc/71/79/60/598717960.db2.gz NGUUGJKQDYVBRJ-UHFFFAOYSA-N -1 3 367.409 3.069 20 0 FGADHM C[C@@H](CSc1ccccc1)C(=O)OCc1cccc(-c2nnn[n-]2)c1 ZINC000736046274 598724681 /nfs/dbraw/zinc/72/46/81/598724681.db2.gz HRZCMLUYIDEXBR-ZDUSSCGKSA-N -1 3 354.435 3.338 20 0 FGADHM C[C@@H](CSc1ccccc1)C(=O)OCc1cccc(-c2nn[n-]n2)c1 ZINC000736046274 598724683 /nfs/dbraw/zinc/72/46/83/598724683.db2.gz HRZCMLUYIDEXBR-ZDUSSCGKSA-N -1 3 354.435 3.338 20 0 FGADHM COC(=O)c1cc(F)ccc1COc1ccc(-c2nnn[n-]2)cc1Cl ZINC000736951296 598733569 /nfs/dbraw/zinc/73/35/69/598733569.db2.gz QVOGBKKSQVNBIR-UHFFFAOYSA-N -1 3 362.748 3.025 20 0 FGADHM COC(=O)c1cc(F)ccc1COc1ccc(-c2nn[n-]n2)cc1Cl ZINC000736951296 598733571 /nfs/dbraw/zinc/73/35/71/598733571.db2.gz QVOGBKKSQVNBIR-UHFFFAOYSA-N -1 3 362.748 3.025 20 0 FGADHM Cc1cc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)ccc1F ZINC000737236952 598737887 /nfs/dbraw/zinc/73/78/87/598737887.db2.gz VQOXWQFTBTZZLJ-UHFFFAOYSA-N -1 3 363.299 3.168 20 0 FGADHM Cc1cc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)ccc1F ZINC000737236952 598737884 /nfs/dbraw/zinc/73/78/84/598737884.db2.gz VQOXWQFTBTZZLJ-UHFFFAOYSA-N -1 3 363.299 3.168 20 0 FGADHM C[C@@H](Cc1ccccc1)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736060153 598741172 /nfs/dbraw/zinc/74/11/72/598741172.db2.gz YYXBYZDLYXMGNF-ZDUSSCGKSA-N -1 3 352.442 3.241 20 0 FGADHM C[C@@H](Cc1ccccc1)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736060153 598741173 /nfs/dbraw/zinc/74/11/73/598741173.db2.gz YYXBYZDLYXMGNF-ZDUSSCGKSA-N -1 3 352.442 3.241 20 0 FGADHM CC(C)[C@@H]1CCC[C@H](NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000735746543 598747846 /nfs/dbraw/zinc/74/78/46/598747846.db2.gz CRRDJJFXNMLKPC-CABCVRRESA-N -1 3 359.499 3.290 20 0 FGADHM CC(C)[C@@H]1CCC[C@H](NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000735746543 598747848 /nfs/dbraw/zinc/74/78/48/598747848.db2.gz CRRDJJFXNMLKPC-CABCVRRESA-N -1 3 359.499 3.290 20 0 FGADHM CN(Cc1ccc(F)cc1)c1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21 ZINC000736818761 598769935 /nfs/dbraw/zinc/76/99/35/598769935.db2.gz AMUDUWJXFJYCGW-UHFFFAOYSA-N -1 3 370.338 3.469 20 0 FGADHM CN(Cc1ccc(F)cc1)c1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21 ZINC000736818761 598769937 /nfs/dbraw/zinc/76/99/37/598769937.db2.gz AMUDUWJXFJYCGW-UHFFFAOYSA-N -1 3 370.338 3.469 20 0 FGADHM Fc1cc(F)c2ncc(-c3nnn[n-]3)c(NCCc3ccsc3)c2c1 ZINC000737650443 598771341 /nfs/dbraw/zinc/77/13/41/598771341.db2.gz IGFFMSQBXYVNHP-UHFFFAOYSA-N -1 3 358.377 3.409 20 0 FGADHM Fc1cc(F)c2ncc(-c3nn[n-]n3)c(NCCc3ccsc3)c2c1 ZINC000737650443 598771342 /nfs/dbraw/zinc/77/13/42/598771342.db2.gz IGFFMSQBXYVNHP-UHFFFAOYSA-N -1 3 358.377 3.409 20 0 FGADHM CC(C)(C)[C@@H](COc1ccccc1F)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000735589871 598788519 /nfs/dbraw/zinc/78/85/19/598788519.db2.gz QAPGYUPSQMUAJB-OAHLLOKOSA-N -1 3 356.405 3.306 20 0 FGADHM CC(C)(C)[C@@H](COc1ccccc1F)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000735589871 598788521 /nfs/dbraw/zinc/78/85/21/598788521.db2.gz QAPGYUPSQMUAJB-OAHLLOKOSA-N -1 3 356.405 3.306 20 0 FGADHM Cc1ccoc1C(=O)Nc1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000737441312 598794435 /nfs/dbraw/zinc/79/44/35/598794435.db2.gz DLBWDXJPSRXTMB-UHFFFAOYSA-N -1 3 352.379 3.144 20 0 FGADHM Cc1ccoc1C(=O)Nc1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000737441312 598794437 /nfs/dbraw/zinc/79/44/37/598794437.db2.gz DLBWDXJPSRXTMB-UHFFFAOYSA-N -1 3 352.379 3.144 20 0 FGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)CO[C@H]1CCCC[C@@H]1C ZINC000735904784 598803460 /nfs/dbraw/zinc/80/34/60/598803460.db2.gz BIPUOLCLPNFWHW-BBRMVZONSA-N -1 3 373.457 3.188 20 0 FGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)CO[C@H]1CCCC[C@@H]1C ZINC000735904784 598803463 /nfs/dbraw/zinc/80/34/63/598803463.db2.gz BIPUOLCLPNFWHW-BBRMVZONSA-N -1 3 373.457 3.188 20 0 FGADHM O=C(Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1)NC1CC1 ZINC000823357405 599298033 /nfs/dbraw/zinc/29/80/33/599298033.db2.gz UMOVAVNENYNWMO-UHFFFAOYSA-N -1 3 354.345 3.082 20 0 FGADHM O=C(Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1)NC1CC1 ZINC000823357405 599298035 /nfs/dbraw/zinc/29/80/35/599298035.db2.gz UMOVAVNENYNWMO-UHFFFAOYSA-N -1 3 354.345 3.082 20 0 FGADHM CCOc1ccc(OCC)c(NCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000736652214 599326321 /nfs/dbraw/zinc/32/63/21/599326321.db2.gz VPDUGJDAWHZTPB-UHFFFAOYSA-N -1 3 369.425 3.155 20 0 FGADHM CCOc1ccc(OCC)c(NCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC000736652214 599326323 /nfs/dbraw/zinc/32/63/23/599326323.db2.gz VPDUGJDAWHZTPB-UHFFFAOYSA-N -1 3 369.425 3.155 20 0 FGADHM C[C@@H](SCc1nc(N)c2ccccc2n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736194179 599326617 /nfs/dbraw/zinc/32/66/17/599326617.db2.gz XFFCECSQIVASIX-LLVKDONJSA-N -1 3 363.450 3.387 20 0 FGADHM C[C@@H](SCc1nc(N)c2ccccc2n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736194179 599326619 /nfs/dbraw/zinc/32/66/19/599326619.db2.gz XFFCECSQIVASIX-LLVKDONJSA-N -1 3 363.450 3.387 20 0 FGADHM FC(F)(F)Oc1cccc(NCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737626125 599326744 /nfs/dbraw/zinc/32/67/44/599326744.db2.gz ILSUFDBGZPVCMB-UHFFFAOYSA-N -1 3 365.315 3.256 20 0 FGADHM FC(F)(F)Oc1cccc(NCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737626125 599326747 /nfs/dbraw/zinc/32/67/47/599326747.db2.gz ILSUFDBGZPVCMB-UHFFFAOYSA-N -1 3 365.315 3.256 20 0 FGADHM C[C@@H]1CN(Cn2ccc(-c3ccc(-c4nnn[n-]4)cc3)n2)[C@H]1c1ccccc1 ZINC000820769019 599329354 /nfs/dbraw/zinc/32/93/54/599329354.db2.gz QLWJSIJIORIQDR-FOIQADDNSA-N -1 3 371.448 3.381 20 0 FGADHM C[C@@H]1CN(Cn2ccc(-c3ccc(-c4nn[n-]n4)cc3)n2)[C@H]1c1ccccc1 ZINC000820769019 599329357 /nfs/dbraw/zinc/32/93/57/599329357.db2.gz QLWJSIJIORIQDR-FOIQADDNSA-N -1 3 371.448 3.381 20 0 FGADHM C[C@@H](SCC(=O)NCc1ccc(F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736188198 599329984 /nfs/dbraw/zinc/32/99/84/599329984.db2.gz JAFPYYHNCPABQK-GFCCVEGCSA-N -1 3 371.441 3.116 20 0 FGADHM C[C@@H](SCC(=O)NCc1ccc(F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736188198 599329986 /nfs/dbraw/zinc/32/99/86/599329986.db2.gz JAFPYYHNCPABQK-GFCCVEGCSA-N -1 3 371.441 3.116 20 0 FGADHM Cc1ccc(Oc2ccc(NCc3ccccc3-c3nnn[n-]3)cc2)nn1 ZINC000737366526 599330366 /nfs/dbraw/zinc/33/03/66/599330366.db2.gz SCKPJIWVTSUMKR-UHFFFAOYSA-N -1 3 359.393 3.370 20 0 FGADHM Cc1ccc(Oc2ccc(NCc3ccccc3-c3nn[n-]n3)cc2)nn1 ZINC000737366526 599330369 /nfs/dbraw/zinc/33/03/69/599330369.db2.gz SCKPJIWVTSUMKR-UHFFFAOYSA-N -1 3 359.393 3.370 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1CNc1ccc(Br)cc1 ZINC000821737654 607369805 /nfs/dbraw/zinc/36/98/05/607369805.db2.gz ZOQSRHIERNLSST-UHFFFAOYSA-N -1 3 360.215 3.250 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1CNc1ccc(Br)cc1 ZINC000821737654 607369806 /nfs/dbraw/zinc/36/98/06/607369806.db2.gz ZOQSRHIERNLSST-UHFFFAOYSA-N -1 3 360.215 3.250 20 0 FGADHM Cc1nc(NC(=O)[C@H](C)Sc2ccccc2-c2nnn[n-]2)sc1C ZINC000822449758 599347985 /nfs/dbraw/zinc/34/79/85/599347985.db2.gz NQNKPSYTDDQORD-JTQLQIEISA-N -1 3 360.468 3.059 20 0 FGADHM Cc1nc(NC(=O)[C@H](C)Sc2ccccc2-c2nn[n-]n2)sc1C ZINC000822449758 599347988 /nfs/dbraw/zinc/34/79/88/599347988.db2.gz NQNKPSYTDDQORD-JTQLQIEISA-N -1 3 360.468 3.059 20 0 FGADHM CSCC[C@@H](C)NC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000737184277 599382818 /nfs/dbraw/zinc/38/28/18/599382818.db2.gz WSTRHEMZNQUTDC-CYBMUJFWSA-N -1 3 367.478 3.405 20 0 FGADHM CSCC[C@@H](C)NC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000737184277 599382819 /nfs/dbraw/zinc/38/28/19/599382819.db2.gz WSTRHEMZNQUTDC-CYBMUJFWSA-N -1 3 367.478 3.405 20 0 FGADHM CC(C)CCc1noc(CNc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)n1 ZINC000820081268 607372258 /nfs/dbraw/zinc/37/22/58/607372258.db2.gz ABCBRATZVIYRGP-UHFFFAOYSA-N -1 3 371.445 3.238 20 0 FGADHM CC(C)CCc1noc(CNc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)n1 ZINC000820081268 607372260 /nfs/dbraw/zinc/37/22/60/607372260.db2.gz ABCBRATZVIYRGP-UHFFFAOYSA-N -1 3 371.445 3.238 20 0 FGADHM COc1ccc(CN[C@@H](c2ccccc2)c2ccccn2)cc1-c1nnn[n-]1 ZINC000821803689 599393631 /nfs/dbraw/zinc/39/36/31/599393631.db2.gz GWYRSQNSGSAEPD-FQEVSTJZSA-N -1 3 372.432 3.150 20 0 FGADHM COc1ccc(CN[C@@H](c2ccccc2)c2ccccn2)cc1-c1nn[n-]n1 ZINC000821803689 599393634 /nfs/dbraw/zinc/39/36/34/599393634.db2.gz GWYRSQNSGSAEPD-FQEVSTJZSA-N -1 3 372.432 3.150 20 0 FGADHM C[C@@H](NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccc(F)c(F)c1 ZINC000820351247 599398369 /nfs/dbraw/zinc/39/83/69/599398369.db2.gz NMICWAFVMYVLHB-WDEREUQCSA-N -1 3 372.379 3.266 20 0 FGADHM C[C@@H](NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccc(F)c(F)c1 ZINC000820351247 599398372 /nfs/dbraw/zinc/39/83/72/599398372.db2.gz NMICWAFVMYVLHB-WDEREUQCSA-N -1 3 372.379 3.266 20 0 FGADHM C[C@H](NC(=O)NCc1ccc(Cl)s1)c1cccc(-c2nnn[n-]2)c1 ZINC000820373489 599403947 /nfs/dbraw/zinc/40/39/47/599403947.db2.gz ILESZZQAJZLIBA-VIFPVBQESA-N -1 3 362.846 3.142 20 0 FGADHM C[C@H](NC(=O)NCc1ccc(Cl)s1)c1cccc(-c2nn[n-]n2)c1 ZINC000820373489 599403948 /nfs/dbraw/zinc/40/39/48/599403948.db2.gz ILESZZQAJZLIBA-VIFPVBQESA-N -1 3 362.846 3.142 20 0 FGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)N1CC[C@@H]1c1ccc(Cl)cc1 ZINC000823246364 599410392 /nfs/dbraw/zinc/41/03/92/599410392.db2.gz MKGNLAKPXQNYCD-MRXNPFEDSA-N -1 3 368.828 3.177 20 0 FGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)N1CC[C@@H]1c1ccc(Cl)cc1 ZINC000823246364 599410395 /nfs/dbraw/zinc/41/03/95/599410395.db2.gz MKGNLAKPXQNYCD-MRXNPFEDSA-N -1 3 368.828 3.177 20 0 FGADHM C[C@H](NCc1ccc(-c2nnn[n-]2)o1)c1ccc(OCC(F)(F)F)cc1 ZINC000820431085 599413088 /nfs/dbraw/zinc/41/30/88/599413088.db2.gz AGTKAYJHFRBLEQ-JTQLQIEISA-N -1 3 367.331 3.252 20 0 FGADHM c1cc(-c2nnn[n-]2)oc1CNCc1ccc(-c2ccc3c(c2)CCO3)cc1 ZINC000823738388 599423501 /nfs/dbraw/zinc/42/35/01/599423501.db2.gz TZNKPPGKWYPEOB-UHFFFAOYSA-N -1 3 373.416 3.351 20 0 FGADHM C[C@H](NC(=O)NC1CC(c2ccccc2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820358834 599433043 /nfs/dbraw/zinc/43/30/43/599433043.db2.gz PFSOBOAVAHJRKJ-TZYSRNFLSA-N -1 3 362.437 3.173 20 0 FGADHM C[C@H](NC(=O)NC1CC(c2ccccc2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820358834 599433046 /nfs/dbraw/zinc/43/30/46/599433046.db2.gz PFSOBOAVAHJRKJ-TZYSRNFLSA-N -1 3 362.437 3.173 20 0 FGADHM Brc1cccc(C2(NCc3ccc(-c4nnn[n-]4)o3)CC2)c1 ZINC000819688985 599443361 /nfs/dbraw/zinc/44/33/61/599443361.db2.gz RXLMBJQYGLNPDM-UHFFFAOYSA-N -1 3 360.215 3.001 20 0 FGADHM Brc1cccc(C2(NCc3ccc(-c4nn[n-]n4)o3)CC2)c1 ZINC000819688985 599443364 /nfs/dbraw/zinc/44/33/64/599443364.db2.gz RXLMBJQYGLNPDM-UHFFFAOYSA-N -1 3 360.215 3.001 20 0 FGADHM Cc1cc(C)cc(CCNC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000822196651 599446989 /nfs/dbraw/zinc/44/69/89/599446989.db2.gz RHJUVRJDTDLEDV-HNNXBMFYSA-N -1 3 364.453 3.086 20 0 FGADHM Cc1cc(C)cc(CCNC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000822196651 599446990 /nfs/dbraw/zinc/44/69/90/599446990.db2.gz RHJUVRJDTDLEDV-HNNXBMFYSA-N -1 3 364.453 3.086 20 0 FGADHM C[C@@H](CNC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1)Cc1cccs1 ZINC000820261756 599447129 /nfs/dbraw/zinc/44/71/29/599447129.db2.gz PRBYWDBUUWYONT-CHWSQXEVSA-N -1 3 370.482 3.167 20 0 FGADHM C[C@@H](CNC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1)Cc1cccs1 ZINC000820261756 599447131 /nfs/dbraw/zinc/44/71/31/599447131.db2.gz PRBYWDBUUWYONT-CHWSQXEVSA-N -1 3 370.482 3.167 20 0 FGADHM C[C@@H](NC(=O)N(C)[C@@H](C)c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820342036 599470142 /nfs/dbraw/zinc/47/01/42/599470142.db2.gz SFBAQZKWIFETTN-KGLIPLIRSA-N -1 3 350.426 3.330 20 0 FGADHM C[C@@H](NC(=O)N(C)[C@@H](C)c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820342036 599470146 /nfs/dbraw/zinc/47/01/46/599470146.db2.gz SFBAQZKWIFETTN-KGLIPLIRSA-N -1 3 350.426 3.330 20 0 FGADHM CC(C)[C@H]1CCC[C@@H](NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000820359356 599473812 /nfs/dbraw/zinc/47/38/12/599473812.db2.gz SICWNKXJJAQSKU-GRDNDAEWSA-N -1 3 356.474 3.442 20 0 FGADHM CC(C)[C@H]1CCC[C@@H](NC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000820359356 599473814 /nfs/dbraw/zinc/47/38/14/599473814.db2.gz SICWNKXJJAQSKU-GRDNDAEWSA-N -1 3 356.474 3.442 20 0 FGADHM C[C@H](NC(=O)N1C[C@H](C)[C@@H]1c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820341307 599476225 /nfs/dbraw/zinc/47/62/25/599476225.db2.gz PQSWJJFLSIHCBY-SUNYJGFJSA-N -1 3 362.437 3.330 20 0 FGADHM C[C@H](NC(=O)N1C[C@H](C)[C@@H]1c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820341307 599476229 /nfs/dbraw/zinc/47/62/29/599476229.db2.gz PQSWJJFLSIHCBY-SUNYJGFJSA-N -1 3 362.437 3.330 20 0 FGADHM CC[C@@H](c1ccncc1)N(C)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820944753 599476840 /nfs/dbraw/zinc/47/68/40/599476840.db2.gz NWQHVBVENNFTHF-GUYCJALGSA-N -1 3 365.441 3.115 20 0 FGADHM CC[C@@H](c1ccncc1)N(C)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820944753 599476843 /nfs/dbraw/zinc/47/68/43/599476843.db2.gz NWQHVBVENNFTHF-GUYCJALGSA-N -1 3 365.441 3.115 20 0 FGADHM CCO[C@@H](C)c1noc(CS[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000736617988 599480962 /nfs/dbraw/zinc/48/09/62/599480962.db2.gz SZKJABZSKLRFAA-QWRGUYRKSA-N -1 3 360.443 3.342 20 0 FGADHM CCO[C@@H](C)c1noc(CS[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000736617988 599480964 /nfs/dbraw/zinc/48/09/64/599480964.db2.gz SZKJABZSKLRFAA-QWRGUYRKSA-N -1 3 360.443 3.342 20 0 FGADHM C[C@@H]1CN(c2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)CC(C)(C)O1 ZINC000820768618 599495544 /nfs/dbraw/zinc/49/55/44/599495544.db2.gz OWWIOWACMOBKRF-SNVBAGLBSA-N -1 3 358.833 3.072 20 0 FGADHM C[C@@H]1CN(c2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)CC(C)(C)O1 ZINC000820768618 599495547 /nfs/dbraw/zinc/49/55/47/599495547.db2.gz OWWIOWACMOBKRF-SNVBAGLBSA-N -1 3 358.833 3.072 20 0 FGADHM C[C@@H](NC(=O)c1cccc(-n2cccc2)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820397562 599500295 /nfs/dbraw/zinc/50/02/95/599500295.db2.gz QKHDNQBXOSYQFJ-CQSZACIVSA-N -1 3 358.405 3.148 20 0 FGADHM C[C@@H](NC(=O)c1cccc(-n2cccc2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820397562 599500297 /nfs/dbraw/zinc/50/02/97/599500297.db2.gz QKHDNQBXOSYQFJ-CQSZACIVSA-N -1 3 358.405 3.148 20 0 FGADHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(N3CCC(n4cccn4)CC3)c2c1 ZINC000822195081 599500364 /nfs/dbraw/zinc/50/03/64/599500364.db2.gz GPXBDRFAXRUASC-UHFFFAOYSA-N -1 3 374.452 3.070 20 0 FGADHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(N3CCC(n4cccn4)CC3)c2c1 ZINC000822195081 599500365 /nfs/dbraw/zinc/50/03/65/599500365.db2.gz GPXBDRFAXRUASC-UHFFFAOYSA-N -1 3 374.452 3.070 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NC1(c2ccccc2F)CC1 ZINC000737293940 599502562 /nfs/dbraw/zinc/50/25/62/599502562.db2.gz IPVVSGCQMQCHKA-UHFFFAOYSA-N -1 3 352.373 3.125 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NC1(c2ccccc2F)CC1 ZINC000737293940 599502564 /nfs/dbraw/zinc/50/25/64/599502564.db2.gz IPVVSGCQMQCHKA-UHFFFAOYSA-N -1 3 352.373 3.125 20 0 FGADHM Fc1ccc2c(CCNc3c(-c4nnn[n-]4)cnc4ccccc43)c[nH]c2c1 ZINC000822782687 599507573 /nfs/dbraw/zinc/50/75/73/599507573.db2.gz AYGUHILYSRHQSP-UHFFFAOYSA-N -1 3 373.395 3.112 20 0 FGADHM Fc1ccc2c(CCNc3c(-c4nn[n-]n4)cnc4ccccc43)c[nH]c2c1 ZINC000822782687 599507575 /nfs/dbraw/zinc/50/75/75/599507575.db2.gz AYGUHILYSRHQSP-UHFFFAOYSA-N -1 3 373.395 3.112 20 0 FGADHM COc1cccc(C2CCN(c3ccc(F)cc3-c3nnn[n-]3)CC2)c1 ZINC000821863688 599508418 /nfs/dbraw/zinc/50/84/18/599508418.db2.gz MVMGZXBOOUTKBB-UHFFFAOYSA-N -1 3 353.401 3.398 20 0 FGADHM COc1cccc(C2CCN(c3ccc(F)cc3-c3nn[n-]n3)CC2)c1 ZINC000821863688 599508420 /nfs/dbraw/zinc/50/84/20/599508420.db2.gz MVMGZXBOOUTKBB-UHFFFAOYSA-N -1 3 353.401 3.398 20 0 FGADHM Cc1nc([C@H]2CCCN(c3ccc(F)cc3-c3nnn[n-]3)C2)sc1C ZINC000822436266 599509554 /nfs/dbraw/zinc/50/95/54/599509554.db2.gz KEUQCOHJCHPHKA-LBPRGKRZSA-N -1 3 358.446 3.463 20 0 FGADHM Cc1nc([C@H]2CCCN(c3ccc(F)cc3-c3nn[n-]n3)C2)sc1C ZINC000822436266 599509556 /nfs/dbraw/zinc/50/95/56/599509556.db2.gz KEUQCOHJCHPHKA-LBPRGKRZSA-N -1 3 358.446 3.463 20 0 FGADHM CC(C)OCc1ccc(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000820146380 599510858 /nfs/dbraw/zinc/51/08/58/599510858.db2.gz MUUORMAPBDCRPI-CQSZACIVSA-N -1 3 365.437 3.283 20 0 FGADHM CC(C)OCc1ccc(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000820146380 599510860 /nfs/dbraw/zinc/51/08/60/599510860.db2.gz MUUORMAPBDCRPI-CQSZACIVSA-N -1 3 365.437 3.283 20 0 FGADHM C[C@@H](NC(=O)c1cc(Cl)c(Cl)n1C)c1cccc(-c2nnn[n-]2)c1 ZINC000820391151 599511698 /nfs/dbraw/zinc/51/16/98/599511698.db2.gz NVOOHNDGESBGQJ-MRVPVSSYSA-N -1 3 365.224 3.003 20 0 FGADHM C[C@@H](NC(=O)c1cc(Cl)c(Cl)n1C)c1cccc(-c2nn[n-]n2)c1 ZINC000820391151 599511700 /nfs/dbraw/zinc/51/17/00/599511700.db2.gz NVOOHNDGESBGQJ-MRVPVSSYSA-N -1 3 365.224 3.003 20 0 FGADHM C[C@H](NC(=O)[C@@H]1CCSc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820322752 599516050 /nfs/dbraw/zinc/51/60/50/599516050.db2.gz VGJNQJTZOGARIX-BLLLJJGKSA-N -1 3 365.462 3.324 20 0 FGADHM C[C@H](NC(=O)[C@@H]1CCSc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820322752 599516052 /nfs/dbraw/zinc/51/60/52/599516052.db2.gz VGJNQJTZOGARIX-BLLLJJGKSA-N -1 3 365.462 3.324 20 0 FGADHM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820938277 599521770 /nfs/dbraw/zinc/52/17/70/599521770.db2.gz HTXFQQYNSPPHDZ-ZZCKCESHSA-N -1 3 371.485 3.418 20 0 FGADHM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820938277 599521773 /nfs/dbraw/zinc/52/17/73/599521773.db2.gz HTXFQQYNSPPHDZ-ZZCKCESHSA-N -1 3 371.485 3.418 20 0 FGADHM Cc1noc(C)c1CCNc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000737537235 599524910 /nfs/dbraw/zinc/52/49/10/599524910.db2.gz MQOSVRPKUTXPTD-UHFFFAOYSA-N -1 3 352.320 3.145 20 0 FGADHM CC(C)Cc1nc(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000820108734 599543558 /nfs/dbraw/zinc/54/35/58/599543558.db2.gz QFTFRXRKSJIPFX-LLVKDONJSA-N -1 3 356.455 3.013 20 0 FGADHM CC(C)Cc1nc(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000820108734 599543560 /nfs/dbraw/zinc/54/35/60/599543560.db2.gz QFTFRXRKSJIPFX-LLVKDONJSA-N -1 3 356.455 3.013 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCc1cc(-c2ccccc2)on1 ZINC000826252277 607386203 /nfs/dbraw/zinc/38/62/03/607386203.db2.gz XDTAJKOOVJBFIF-UHFFFAOYSA-N -1 3 361.361 3.187 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCc1cc(-c2ccccc2)on1 ZINC000826252277 607386205 /nfs/dbraw/zinc/38/62/05/607386205.db2.gz XDTAJKOOVJBFIF-UHFFFAOYSA-N -1 3 361.361 3.187 20 0 FGADHM CCC[C@H](CCc1ccccc1)Nc1nnc(C)c(C)c1-c1nnn[n-]1 ZINC000821020962 599581715 /nfs/dbraw/zinc/58/17/15/599581715.db2.gz KHBBYMAIRAFHKC-MRXNPFEDSA-N -1 3 351.458 3.487 20 0 FGADHM CCC[C@H](CCc1ccccc1)Nc1nnc(C)c(C)c1-c1nn[n-]n1 ZINC000821020962 599581717 /nfs/dbraw/zinc/58/17/17/599581717.db2.gz KHBBYMAIRAFHKC-MRXNPFEDSA-N -1 3 351.458 3.487 20 0 FGADHM Cc1ccc(C[C@H](C)NC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)s1 ZINC000737333995 599612258 /nfs/dbraw/zinc/61/22/58/599612258.db2.gz DZJMYYCPADROGI-VIFPVBQESA-N -1 3 360.418 3.128 20 0 FGADHM Cc1ccc(C[C@H](C)NC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)s1 ZINC000737333995 599612260 /nfs/dbraw/zinc/61/22/60/599612260.db2.gz DZJMYYCPADROGI-VIFPVBQESA-N -1 3 360.418 3.128 20 0 FGADHM Cc1ccc(C[C@@H](C)NC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)s1 ZINC000737333994 599612276 /nfs/dbraw/zinc/61/22/76/599612276.db2.gz DZJMYYCPADROGI-SECBINFHSA-N -1 3 360.418 3.128 20 0 FGADHM Cc1ccc(C[C@@H](C)NC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)s1 ZINC000737333994 599612278 /nfs/dbraw/zinc/61/22/78/599612278.db2.gz DZJMYYCPADROGI-SECBINFHSA-N -1 3 360.418 3.128 20 0 FGADHM Cc1ccc(Br)cc1C(=O)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000822225266 599623192 /nfs/dbraw/zinc/62/31/92/599623192.db2.gz VRHFKJCZLCMUMN-UHFFFAOYSA-N -1 3 373.210 3.295 20 0 FGADHM Cc1ccc(Br)cc1C(=O)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000822225266 599623193 /nfs/dbraw/zinc/62/31/93/599623193.db2.gz VRHFKJCZLCMUMN-UHFFFAOYSA-N -1 3 373.210 3.295 20 0 FGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1)[C@@H]1C[C@]12CCCc1ccccc12 ZINC000823430891 599623706 /nfs/dbraw/zinc/62/37/06/599623706.db2.gz LDTDGUGCOMJTQZ-RXVVDRJESA-N -1 3 360.417 3.204 20 0 FGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1)[C@@H]1C[C@]12CCCc1ccccc12 ZINC000823430891 599623707 /nfs/dbraw/zinc/62/37/07/599623707.db2.gz LDTDGUGCOMJTQZ-RXVVDRJESA-N -1 3 360.417 3.204 20 0 FGADHM C[C@@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)[C@@H](C)c1cccc(F)c1 ZINC000820287538 599624482 /nfs/dbraw/zinc/62/44/82/599624482.db2.gz NGWLOZRFKXIKLU-STQMWFEESA-N -1 3 370.384 3.120 20 0 FGADHM C[C@@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)[C@@H](C)c1cccc(F)c1 ZINC000820287538 599624483 /nfs/dbraw/zinc/62/44/83/599624483.db2.gz NGWLOZRFKXIKLU-STQMWFEESA-N -1 3 370.384 3.120 20 0 FGADHM CO[C@H](C)CCOC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000821673958 599627143 /nfs/dbraw/zinc/62/71/43/599627143.db2.gz PHOITPYZZFZPLB-CYBMUJFWSA-N -1 3 352.394 3.116 20 0 FGADHM CO[C@H](C)CCOC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000821673958 599627144 /nfs/dbraw/zinc/62/71/44/599627144.db2.gz PHOITPYZZFZPLB-CYBMUJFWSA-N -1 3 352.394 3.116 20 0 FGADHM Cc1sc(NC(=O)[C@@H]2Cc3cc(C)c(C)cc3O2)c(-c2nnn[n-]2)c1C ZINC000822212642 599628850 /nfs/dbraw/zinc/62/88/50/599628850.db2.gz AFWVDEJZRSFZBV-AWEZNQCLSA-N -1 3 369.450 3.104 20 0 FGADHM Cc1sc(NC(=O)[C@@H]2Cc3cc(C)c(C)cc3O2)c(-c2nn[n-]n2)c1C ZINC000822212642 599628851 /nfs/dbraw/zinc/62/88/51/599628851.db2.gz AFWVDEJZRSFZBV-AWEZNQCLSA-N -1 3 369.450 3.104 20 0 FGADHM CC(C)c1ocnc1C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820211867 599631630 /nfs/dbraw/zinc/63/16/30/599631630.db2.gz ZUBUKJQJYAFRNQ-UHFFFAOYSA-N -1 3 366.303 3.249 20 0 FGADHM CC(C)c1ocnc1C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820211867 599631631 /nfs/dbraw/zinc/63/16/31/599631631.db2.gz ZUBUKJQJYAFRNQ-UHFFFAOYSA-N -1 3 366.303 3.249 20 0 FGADHM COc1ccccc1C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000821882802 599633760 /nfs/dbraw/zinc/63/37/60/599633760.db2.gz LGDFPNNAKKWEDA-UHFFFAOYSA-N -1 3 363.299 3.146 20 0 FGADHM COc1ccccc1C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821882802 599633761 /nfs/dbraw/zinc/63/37/61/599633761.db2.gz LGDFPNNAKKWEDA-UHFFFAOYSA-N -1 3 363.299 3.146 20 0 FGADHM Cc1ccccc1-c1cnc(COC(=O)c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000822345941 599648968 /nfs/dbraw/zinc/64/89/68/599648968.db2.gz WZOWYKSRBUGVCZ-UHFFFAOYSA-N -1 3 361.361 3.187 20 0 FGADHM Cc1ccccc1-c1cnc(COC(=O)c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822345941 599648969 /nfs/dbraw/zinc/64/89/69/599648969.db2.gz WZOWYKSRBUGVCZ-UHFFFAOYSA-N -1 3 361.361 3.187 20 0 FGADHM C[C@@H](NC(=O)NC1C2CC3CC(C2)CC1C3)c1cccc(-c2nnn[n-]2)c1 ZINC000820360336 599666062 /nfs/dbraw/zinc/66/60/62/599666062.db2.gz YEPZDKPVMILLFQ-OQSJMBJCSA-N -1 3 366.469 3.052 20 0 FGADHM C[C@@H](NC(=O)NC1C2CC3CC(C2)CC1C3)c1cccc(-c2nn[n-]n2)c1 ZINC000820360336 599666063 /nfs/dbraw/zinc/66/60/63/599666063.db2.gz YEPZDKPVMILLFQ-OQSJMBJCSA-N -1 3 366.469 3.052 20 0 FGADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)N(CC1CC1)C1CCCCC1 ZINC000823233655 599679126 /nfs/dbraw/zinc/67/91/26/599679126.db2.gz HDVLMSJKXQRMLE-UHFFFAOYSA-N -1 3 372.448 3.260 20 0 FGADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)N(CC1CC1)C1CCCCC1 ZINC000823233655 599679127 /nfs/dbraw/zinc/67/91/27/599679127.db2.gz HDVLMSJKXQRMLE-UHFFFAOYSA-N -1 3 372.448 3.260 20 0 FGADHM OCCC1(CNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CCCC1 ZINC000823717685 599687910 /nfs/dbraw/zinc/68/79/10/599687910.db2.gz JDMYDMMMAFNBQJ-UHFFFAOYSA-N -1 3 355.364 3.240 20 0 FGADHM OCCC1(CNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CCCC1 ZINC000823717685 599687911 /nfs/dbraw/zinc/68/79/11/599687911.db2.gz JDMYDMMMAFNBQJ-UHFFFAOYSA-N -1 3 355.364 3.240 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)CCCc1sccc1C ZINC000826183909 607390849 /nfs/dbraw/zinc/39/08/49/607390849.db2.gz DZCDQYAOKPRXHK-UHFFFAOYSA-N -1 3 372.450 3.311 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)CCCc1sccc1C ZINC000826183909 607390851 /nfs/dbraw/zinc/39/08/51/607390851.db2.gz DZCDQYAOKPRXHK-UHFFFAOYSA-N -1 3 372.450 3.311 20 0 FGADHM O=C(Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1)[C@@H]1CCCCO1 ZINC000823443960 607391440 /nfs/dbraw/zinc/39/14/40/607391440.db2.gz HXHHXYGJRRMBSZ-KRWDZBQOSA-N -1 3 350.378 3.008 20 0 FGADHM O=C(Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1)[C@@H]1CCCCO1 ZINC000823443960 607391442 /nfs/dbraw/zinc/39/14/42/607391442.db2.gz HXHHXYGJRRMBSZ-KRWDZBQOSA-N -1 3 350.378 3.008 20 0 FGADHM O=C([O-])[C@H](NCc1cc2c(c(Br)c1)OCO2)c1ccccc1 ZINC000315635932 599786977 /nfs/dbraw/zinc/78/69/77/599786977.db2.gz QNFIUXIPLQBSRG-CQSZACIVSA-N -1 3 364.195 3.093 20 0 FGADHM COc1ccc([C@@H](NCc2cc(=O)oc3c(C)c(C)ccc23)C(=O)[O-])cc1 ZINC000737973684 599857009 /nfs/dbraw/zinc/85/70/09/599857009.db2.gz RPOPFIJRNAYTTN-LJQANCHMSA-N -1 3 367.401 3.334 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)[C@@H]1CCSc2ccccc21 ZINC000826253083 607402692 /nfs/dbraw/zinc/40/26/92/607402692.db2.gz FCFBVEMOYIYKGW-MRXNPFEDSA-N -1 3 366.446 3.498 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)[C@@H]1CCSc2ccccc21 ZINC000826253083 607402693 /nfs/dbraw/zinc/40/26/93/607402693.db2.gz FCFBVEMOYIYKGW-MRXNPFEDSA-N -1 3 366.446 3.498 20 0 FGADHM CC(C)Oc1ccc(NC(=O)c2ccc3ccccc3n2)cc1-c1nnn[n-]1 ZINC000820173552 607403558 /nfs/dbraw/zinc/40/35/58/607403558.db2.gz HOAYMILXXZNMJS-UHFFFAOYSA-N -1 3 374.404 3.454 20 0 FGADHM CC(C)Oc1ccc(NC(=O)c2ccc3ccccc3n2)cc1-c1nn[n-]n1 ZINC000820173552 607403560 /nfs/dbraw/zinc/40/35/60/607403560.db2.gz HOAYMILXXZNMJS-UHFFFAOYSA-N -1 3 374.404 3.454 20 0 FGADHM Cc1cncc(C=CC(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c1 ZINC000822399171 607404654 /nfs/dbraw/zinc/40/46/54/607404654.db2.gz BCJAPDGRZJFWRG-GORDUTHDSA-N -1 3 374.326 3.241 20 0 FGADHM Cc1cncc(C=CC(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c1 ZINC000822399171 607404656 /nfs/dbraw/zinc/40/46/56/607404656.db2.gz BCJAPDGRZJFWRG-GORDUTHDSA-N -1 3 374.326 3.241 20 0 FGADHM O=C([O-])Nc1cccc(C(=O)N[C@H](CN2CCCC2)c2ccccc2)c1 ZINC000740028930 599901687 /nfs/dbraw/zinc/90/16/87/599901687.db2.gz LDVFPKMBHDXTPW-GOSISDBHSA-N -1 3 353.422 3.343 20 0 FGADHM O=C([O-])Nc1cccc(C(=O)NC[C@@H](c2cccs2)N2CCCC2)c1 ZINC000740028635 599928429 /nfs/dbraw/zinc/92/84/29/599928429.db2.gz FTAOPGVXBCZAJN-HNNXBMFYSA-N -1 3 359.451 3.405 20 0 FGADHM Cc1ncc(C=CC(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)s1 ZINC000822466868 607407338 /nfs/dbraw/zinc/40/73/38/607407338.db2.gz DWZZBRYXYPVNCK-ALCCZGGFSA-N -1 3 370.438 3.071 20 0 FGADHM Cc1ncc(C=CC(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)s1 ZINC000822466868 607407340 /nfs/dbraw/zinc/40/73/40/607407340.db2.gz DWZZBRYXYPVNCK-ALCCZGGFSA-N -1 3 370.438 3.071 20 0 FGADHM COc1ccccc1[C@H](C)CC(=O)OCc1ccc(-c2nnn[n-]2)cc1C ZINC000826218463 607407652 /nfs/dbraw/zinc/40/76/52/607407652.db2.gz CNBDBBCTGMJHFT-CQSZACIVSA-N -1 3 366.421 3.421 20 0 FGADHM COc1ccccc1[C@H](C)CC(=O)OCc1ccc(-c2nn[n-]n2)cc1C ZINC000826218463 607407653 /nfs/dbraw/zinc/40/76/53/607407653.db2.gz CNBDBBCTGMJHFT-CQSZACIVSA-N -1 3 366.421 3.421 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)c1csc(CC(C)C)n1 ZINC000826254601 607408453 /nfs/dbraw/zinc/40/84/53/607408453.db2.gz SRZBLBRFIQSMRM-UHFFFAOYSA-N -1 3 357.439 3.187 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)c1csc(CC(C)C)n1 ZINC000826254601 607408454 /nfs/dbraw/zinc/40/84/54/607408454.db2.gz SRZBLBRFIQSMRM-UHFFFAOYSA-N -1 3 357.439 3.187 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)c1cc(Cl)ccc1F ZINC000821745213 607411268 /nfs/dbraw/zinc/41/12/68/607411268.db2.gz KGVBLMSDSMIGAI-UHFFFAOYSA-N -1 3 362.748 3.025 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)c1cc(Cl)ccc1F ZINC000821745213 607411269 /nfs/dbraw/zinc/41/12/69/607411269.db2.gz KGVBLMSDSMIGAI-UHFFFAOYSA-N -1 3 362.748 3.025 20 0 FGADHM Cc1cc(NC(=O)N(CCN(C)C)Cc2cccc(F)c2)ccc1C(=O)[O-] ZINC000738437920 600013571 /nfs/dbraw/zinc/01/35/71/600013571.db2.gz LRCZUHAVKVCZCR-UHFFFAOYSA-N -1 3 373.428 3.428 20 0 FGADHM CN(C(=O)CN1CCCC[C@@H]1Cc1ccccc1)c1ccccc1C(=O)[O-] ZINC000737321964 600039207 /nfs/dbraw/zinc/03/92/07/600039207.db2.gz JCHYLDWOSMWUGX-GOSISDBHSA-N -1 3 366.461 3.445 20 0 FGADHM Cc1oc(C(=O)[O-])cc1CN1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000738958227 600093221 /nfs/dbraw/zinc/09/32/21/600093221.db2.gz WRWFHMQZFQAVIU-GFCCVEGCSA-N -1 3 366.458 3.411 20 0 FGADHM CC[C@H](OC1CCCCC1)C(=O)OCc1cc(-c2nnn[n-]2)ccc1OC ZINC000820939716 607418830 /nfs/dbraw/zinc/41/88/30/607418830.db2.gz XJTMMGAIXSKXKK-INIZCTEOSA-N -1 3 374.441 3.046 20 0 FGADHM CC[C@H](OC1CCCCC1)C(=O)OCc1cc(-c2nn[n-]n2)ccc1OC ZINC000820939716 607418832 /nfs/dbraw/zinc/41/88/32/607418832.db2.gz XJTMMGAIXSKXKK-INIZCTEOSA-N -1 3 374.441 3.046 20 0 FGADHM COc1ccc(CN(C)C)cc1NC(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000737995394 600112856 /nfs/dbraw/zinc/11/28/56/600112856.db2.gz RDMSLXXOSQBTNC-UHFFFAOYSA-N -1 3 369.421 3.003 20 0 FGADHM CS[C@@H]1CCCCN(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000821956224 607423159 /nfs/dbraw/zinc/42/31/59/607423159.db2.gz JYVZBVFIYBBNGV-LLVKDONJSA-N -1 3 366.878 3.270 20 0 FGADHM CS[C@@H]1CCCCN(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000821956224 607423161 /nfs/dbraw/zinc/42/31/61/607423161.db2.gz JYVZBVFIYBBNGV-LLVKDONJSA-N -1 3 366.878 3.270 20 0 FGADHM CC[C@H](Cc1ccccc1)C(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000825125354 607427179 /nfs/dbraw/zinc/42/71/79/607427179.db2.gz CFESSZHZQCFIFW-MRXNPFEDSA-N -1 3 361.449 3.241 20 0 FGADHM CC[C@H](Cc1ccccc1)C(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000825125354 607427180 /nfs/dbraw/zinc/42/71/80/607427180.db2.gz CFESSZHZQCFIFW-MRXNPFEDSA-N -1 3 361.449 3.241 20 0 FGADHM CC[C@H]1CCCN(C(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)C1 ZINC000820978367 607428554 /nfs/dbraw/zinc/42/85/54/607428554.db2.gz ALSNBBMFTWPKOO-ZDUSSCGKSA-N -1 3 358.446 3.308 20 0 FGADHM CC[C@H]1CCCN(C(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)C1 ZINC000820978367 607428556 /nfs/dbraw/zinc/42/85/56/607428556.db2.gz ALSNBBMFTWPKOO-ZDUSSCGKSA-N -1 3 358.446 3.308 20 0 FGADHM CC[C@]1(C)CCN(C(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)C1 ZINC000820949895 607429879 /nfs/dbraw/zinc/42/98/79/607429879.db2.gz HGZQZAQRVLNGNQ-GOSISDBHSA-N -1 3 358.446 3.308 20 0 FGADHM CC[C@]1(C)CCN(C(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)C1 ZINC000820949895 607429880 /nfs/dbraw/zinc/42/98/80/607429880.db2.gz HGZQZAQRVLNGNQ-GOSISDBHSA-N -1 3 358.446 3.308 20 0 FGADHM Cc1ccc([C@@H](NC(=O)CN(CCC(=O)[O-])C(C)C)c2cccs2)cc1 ZINC000738566648 600222534 /nfs/dbraw/zinc/22/25/34/600222534.db2.gz ACEAVCKVIISBQO-HXUWFJFHSA-N -1 3 374.506 3.447 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(Cc1ccco1)Cc1cccnc1 ZINC000826244593 607430480 /nfs/dbraw/zinc/43/04/80/607430480.db2.gz YAHMEAKXJCUSFF-UHFFFAOYSA-N -1 3 374.404 3.006 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(Cc1ccco1)Cc1cccnc1 ZINC000826244593 607430482 /nfs/dbraw/zinc/43/04/82/607430482.db2.gz YAHMEAKXJCUSFF-UHFFFAOYSA-N -1 3 374.404 3.006 20 0 FGADHM CN(C(=O)C=Cc1ccnc2ccccc12)c1ccc(-c2nnn[n-]2)cc1 ZINC000825812769 607433134 /nfs/dbraw/zinc/43/31/34/607433134.db2.gz TYBQDGNFESJBGD-FLIBITNWSA-N -1 3 356.389 3.091 20 0 FGADHM CN(C(=O)C=Cc1ccnc2ccccc12)c1ccc(-c2nn[n-]n2)cc1 ZINC000825812769 607433135 /nfs/dbraw/zinc/43/31/35/607433135.db2.gz TYBQDGNFESJBGD-FLIBITNWSA-N -1 3 356.389 3.091 20 0 FGADHM COc1cccc(NC(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)c1 ZINC000821872189 607433935 /nfs/dbraw/zinc/43/39/35/607433935.db2.gz KDGKSXGAJGBZGF-UHFFFAOYSA-N -1 3 368.397 3.307 20 0 FGADHM COc1cccc(NC(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)c1 ZINC000821872189 607433937 /nfs/dbraw/zinc/43/39/37/607433937.db2.gz KDGKSXGAJGBZGF-UHFFFAOYSA-N -1 3 368.397 3.307 20 0 FGADHM CCC[C@](C)(NCc1nc2cc(C(F)(F)F)ccc2c(=O)[nH]1)C(=O)[O-] ZINC000736959506 600324040 /nfs/dbraw/zinc/32/40/40/600324040.db2.gz PPKKUDDKSKZPLL-HNNXBMFYSA-N -1 3 357.332 3.087 20 0 FGADHM CC(C)(C)CCN1CCN(C(=O)Nc2ccc(CNC(=O)[O-])cc2)CC1 ZINC000736249333 600349862 /nfs/dbraw/zinc/34/98/62/600349862.db2.gz WOANSPOCIUNCBP-UHFFFAOYSA-N -1 3 362.474 3.040 20 0 FGADHM C[C@@H](CCc1ccccc1F)C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000824413904 607437959 /nfs/dbraw/zinc/43/79/59/607437959.db2.gz SABXLWQNSZEVPR-ZDUSSCGKSA-N -1 3 353.401 3.238 20 0 FGADHM C[C@@H](CCc1ccccc1F)C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000824413904 607437960 /nfs/dbraw/zinc/43/79/60/607437960.db2.gz SABXLWQNSZEVPR-ZDUSSCGKSA-N -1 3 353.401 3.238 20 0 FGADHM O=C([O-])c1cc(NC(=O)N2CCN(CC3CCCCC3)CC2)ccc1F ZINC000740089990 600390731 /nfs/dbraw/zinc/39/07/31/600390731.db2.gz HQEJUHPPNZRLQP-UHFFFAOYSA-N -1 3 363.433 3.254 20 0 FGADHM O=C([O-])[C@H](NCc1cccc(NC(=O)C2CCC2)c1)c1ccc(F)cc1 ZINC000739484063 600421497 /nfs/dbraw/zinc/42/14/97/600421497.db2.gz PAKNZIAQMHKOKH-GOSISDBHSA-N -1 3 356.397 3.480 20 0 FGADHM O=C([O-])c1ccc(NC(=O)[C@H]2CCCN(Cc3cccnc3)C2)cc1Cl ZINC000740146666 600486356 /nfs/dbraw/zinc/48/63/56/600486356.db2.gz YBXLSSJBUBRCIZ-AWEZNQCLSA-N -1 3 373.840 3.284 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CCC(C)(C)C(C)=O ZINC000821118394 607447683 /nfs/dbraw/zinc/44/76/83/607447683.db2.gz LXRRSVLBJWLQPA-UHFFFAOYSA-N -1 3 358.446 3.023 20 0 FGADHM Cc1ccc([C@H](C)N[C@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)cc1C ZINC000738552069 600523247 /nfs/dbraw/zinc/52/32/47/600523247.db2.gz LSXOAMRVMZQWGG-JKSUJKDBSA-N -1 3 354.450 3.357 20 0 FGADHM CCCN1CCC[C@H]1C(=O)NC[C@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC000737031052 600597740 /nfs/dbraw/zinc/59/77/40/600597740.db2.gz WNEUZXGJBNQICD-ICSRJNTNSA-N -1 3 368.477 3.074 20 0 FGADHM O=C([O-])[C@H](N[C@@H]1CCN(c2ccc(F)cc2F)C1)c1ccccc1F ZINC000833167639 600748079 /nfs/dbraw/zinc/74/80/79/600748079.db2.gz OPQDHDHUVISQRV-SJKOYZFVSA-N -1 3 350.340 3.098 20 0 FGADHM CC(C)(C)c1ccc(C(=O)Nc2ncc3cc(-c4nnn[n-]4)ccc3n2)cc1 ZINC000824135620 607467455 /nfs/dbraw/zinc/46/74/55/607467455.db2.gz HTMOHUJOEDBCTC-UHFFFAOYSA-N -1 3 373.420 3.360 20 0 FGADHM CC(C)(C)c1ccc(C(=O)Nc2ncc3cc(-c4nn[n-]n4)ccc3n2)cc1 ZINC000824135620 607467457 /nfs/dbraw/zinc/46/74/57/607467457.db2.gz HTMOHUJOEDBCTC-UHFFFAOYSA-N -1 3 373.420 3.360 20 0 FGADHM O[C@@H](C[C@H]1CCCN1c1cccc(F)c1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000823674084 607469031 /nfs/dbraw/zinc/46/90/31/607469031.db2.gz PZJWJMCTFLOQLO-PBHICJAKSA-N -1 3 371.391 3.237 20 0 FGADHM O[C@@H](C[C@H]1CCCN1c1cccc(F)c1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000823674084 607469032 /nfs/dbraw/zinc/46/90/32/607469032.db2.gz PZJWJMCTFLOQLO-PBHICJAKSA-N -1 3 371.391 3.237 20 0 FGADHM C[C@@H](OC(=O)C1CCN(Cc2ccccc2)CC1)c1ccc(C(=O)[O-])o1 ZINC000736686629 600803314 /nfs/dbraw/zinc/80/33/14/600803314.db2.gz VQIOERJYDLBCEP-CQSZACIVSA-N -1 3 357.406 3.494 20 0 FGADHM Fc1cc(-c2nnn[n-]2)ccc1CNc1cccc(Oc2cnccn2)c1 ZINC000822744461 607475433 /nfs/dbraw/zinc/47/54/33/607475433.db2.gz ULUWNRBPVMTPSQ-UHFFFAOYSA-N -1 3 363.356 3.200 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1CNc1cccc(Oc2cnccn2)c1 ZINC000822744461 607475434 /nfs/dbraw/zinc/47/54/34/607475434.db2.gz ULUWNRBPVMTPSQ-UHFFFAOYSA-N -1 3 363.356 3.200 20 0 FGADHM COC(=O)c1cc2cc(CN3Cc4ccccc4C[C@H]3C(=O)[O-])ccc2o1 ZINC000737677812 600948180 /nfs/dbraw/zinc/94/81/80/600948180.db2.gz MGYHYJOZWNJDBP-KRWDZBQOSA-N -1 3 365.385 3.231 20 0 FGADHM CN(C)Cc1cccc(C(=O)N2C[C@@H](C3CCCCC3)C[C@H]2C(=O)[O-])c1 ZINC000830620218 600978727 /nfs/dbraw/zinc/97/87/27/600978727.db2.gz RSOHKMKNBQEZTO-OALUTQOASA-N -1 3 358.482 3.244 20 0 FGADHM CCCC[C@@H](C(=O)[O-])N1CCN([C@@H](C)c2nc(-c3ccccc3)no2)CC1 ZINC000829275174 600987611 /nfs/dbraw/zinc/98/76/11/600987611.db2.gz BEVRSLHPDKZADP-RDJZCZTQSA-N -1 3 372.469 3.059 20 0 FGADHM Cc1cc(C(=O)NC2CCN([C@H](C(=O)[O-])c3ccccc3F)CC2)c(C)o1 ZINC000832863339 600996921 /nfs/dbraw/zinc/99/69/21/600996921.db2.gz NRKCPBVGSOSOPK-SFHVURJKSA-N -1 3 374.412 3.056 20 0 FGADHM CN(C(=O)OC(C)(C)C)C1CCN([C@H](C(=O)[O-])c2ccccc2F)CC1 ZINC000830518919 601004275 /nfs/dbraw/zinc/00/42/75/601004275.db2.gz KAKWRJLLIPLYIK-INIZCTEOSA-N -1 3 366.433 3.283 20 0 FGADHM C[C@@H]1CN([C@@H](C(=O)[O-])c2ccccc2F)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000828414459 601015624 /nfs/dbraw/zinc/01/56/24/601015624.db2.gz ZVRKIVUHLQGWHC-UHOFOFEASA-N -1 3 366.433 3.187 20 0 FGADHM CN(C)[C@@H](CNC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1)c1ccccc1 ZINC000830581006 601093827 /nfs/dbraw/zinc/09/38/27/601093827.db2.gz KKNJNLHFKIWKSB-SFHVURJKSA-N -1 3 369.465 3.473 20 0 FGADHM COc1ccc(CN2CCCC[C@H]2c2nccs2)cc1-c1nnn[n-]1 ZINC000826194395 607492675 /nfs/dbraw/zinc/49/26/75/607492675.db2.gz KWXSIFAWJSNWKL-AWEZNQCLSA-N -1 3 356.455 3.059 20 0 FGADHM COc1ccc(CN2CCCC[C@H]2c2nccs2)cc1-c1nn[n-]n1 ZINC000826194395 607492677 /nfs/dbraw/zinc/49/26/77/607492677.db2.gz KWXSIFAWJSNWKL-AWEZNQCLSA-N -1 3 356.455 3.059 20 0 FGADHM C[C@@H](C(=O)[O-])[C@@H](NCC(=O)NCc1ccc(Cl)cc1)c1ccccc1 ZINC000826055136 601201963 /nfs/dbraw/zinc/20/19/63/601201963.db2.gz WDOYLBBIGUNOBU-FZKQIMNGSA-N -1 3 360.841 3.008 20 0 FGADHM Fc1cc(-c2nnn[n-]2)ccc1CNc1ccc(N2CCSCC2)cc1 ZINC000822744609 607491775 /nfs/dbraw/zinc/49/17/75/607491775.db2.gz XXDJEJVFFIZFHD-UHFFFAOYSA-N -1 3 370.457 3.171 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1CNc1ccc(N2CCSCC2)cc1 ZINC000822744609 607491777 /nfs/dbraw/zinc/49/17/77/607491777.db2.gz XXDJEJVFFIZFHD-UHFFFAOYSA-N -1 3 370.457 3.171 20 0 FGADHM CC(C)c1ncc(C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)s1 ZINC000820206041 607497748 /nfs/dbraw/zinc/49/77/48/607497748.db2.gz AXMLHNGAAYNWCN-UHFFFAOYSA-N -1 3 359.459 3.255 20 0 FGADHM CC(C)c1ncc(C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)s1 ZINC000820206041 607497750 /nfs/dbraw/zinc/49/77/50/607497750.db2.gz AXMLHNGAAYNWCN-UHFFFAOYSA-N -1 3 359.459 3.255 20 0 FGADHM CCC[C@@H](C)NC(=O)[C@@H]1CCCN(Cc2cc(C(=O)[O-])oc2CC)C1 ZINC000829216451 601414561 /nfs/dbraw/zinc/41/45/61/601414561.db2.gz NCPQLGBXTKHAPD-ZIAGYGMSSA-N -1 3 350.459 3.057 20 0 FGADHM Cc1ccc2cc(C(=O)OCc3ccc(F)c(-c4nnn[n-]4)c3)ccc2n1 ZINC000822280871 607506814 /nfs/dbraw/zinc/50/68/14/607506814.db2.gz ZQMIDCCLWZTIQS-UHFFFAOYSA-N -1 3 363.352 3.219 20 0 FGADHM Cc1ccc2cc(C(=O)OCc3ccc(F)c(-c4nn[n-]n4)c3)ccc2n1 ZINC000822280871 607506816 /nfs/dbraw/zinc/50/68/16/607506816.db2.gz ZQMIDCCLWZTIQS-UHFFFAOYSA-N -1 3 363.352 3.219 20 0 FGADHM C[C@@H]1CN(Cc2coc(-c3ccc(Br)cc3)n2)C[C@H]1C(=O)[O-] ZINC000263370549 601519483 /nfs/dbraw/zinc/51/94/83/601519483.db2.gz VFMDYCZDSZRCRQ-QMTHXVAHSA-N -1 3 365.227 3.257 20 0 FGADHM COc1ccc(-n2c(CN3C[C@H](C(=O)[O-])[C@H](C)C3)nc3ccccc32)cc1 ZINC000832138401 601530402 /nfs/dbraw/zinc/53/04/02/601530402.db2.gz HIHVCXVZECBFGE-PBHICJAKSA-N -1 3 365.433 3.187 20 0 FGADHM C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000828424276 601539683 /nfs/dbraw/zinc/53/96/83/601539683.db2.gz OUOMDBSWAQYOOU-NRUUGDAUSA-N -1 3 369.343 3.469 20 0 FGADHM COc1ccccc1CN(Cc1cc(-c2nn[n-]n2)ccc1OC)C1CC1 ZINC000826219687 607517965 /nfs/dbraw/zinc/51/79/65/607517965.db2.gz MLCCWLFXLFQKKG-UHFFFAOYSA-N -1 3 365.437 3.049 20 0 FGADHM C[C@H](C(=O)[O-])[C@H](NCC(=O)Nc1nc2c(s1)CCCC2)c1ccccc1 ZINC000826053060 601655364 /nfs/dbraw/zinc/65/53/64/601655364.db2.gz ICJGLGAPRJSRMP-SJCJKPOMSA-N -1 3 373.478 3.012 20 0 FGADHM CCN(Cc1ccccc1)C(=O)CN[C@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000829722286 601655723 /nfs/dbraw/zinc/65/57/23/601655723.db2.gz JPABBBAWWGYMRG-JXFKEZNVSA-N -1 3 354.450 3.087 20 0 FGADHM Cc1cc(NC(=O)N(CCN(C)C)Cc2cccs2)ccc1C(=O)[O-] ZINC000832894261 601713638 /nfs/dbraw/zinc/71/36/38/601713638.db2.gz HJGRDKWTZHSLEI-UHFFFAOYSA-N -1 3 361.467 3.350 20 0 FGADHM Cc1nc(-c2ccc(Cl)c(Cl)c2)n(CN2C[C@@H](C)[C@H](C(=O)[O-])C2)n1 ZINC000832990779 601813829 /nfs/dbraw/zinc/81/38/29/601813829.db2.gz BQOULVVISQRBID-BXKDBHETSA-N -1 3 369.252 3.170 20 0 FGADHM CCN1CCC[C@@H](NC(=O)c2cc(NC(=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000829765215 602002268 /nfs/dbraw/zinc/00/22/68/602002268.db2.gz MRJYNGFRSPVBSS-GFCCVEGCSA-N -1 3 359.348 3.009 20 0 FGADHM C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(Cc2ccc(C(=O)[O-])o2)C1 ZINC000827688007 602244978 /nfs/dbraw/zinc/24/49/78/602244978.db2.gz PXNWWIUSQWQWSF-STQMWFEESA-N -1 3 352.431 3.103 20 0 FGADHM CN(C(=O)Nc1ccc(CC(=O)[O-])cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000312480103 602363944 /nfs/dbraw/zinc/36/39/44/602363944.db2.gz IGYUIGLAVIQFFT-IBGZPJMESA-N -1 3 367.449 3.052 20 0 FGADHM O=C([O-])c1ccc(NC(=O)NC[C@H](c2ccccc2)N2CCCC2)cc1F ZINC000833132558 602381968 /nfs/dbraw/zinc/38/19/68/602381968.db2.gz CWMVJIQLDBGTKN-GOSISDBHSA-N -1 3 371.412 3.483 20 0 FGADHM C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)Nc2ccc(C(=O)[O-])c(F)c2)C1 ZINC000827948892 602389264 /nfs/dbraw/zinc/38/92/64/602389264.db2.gz HCPQFLHHTXWPIG-CZUORRHYSA-N -1 3 371.412 3.481 20 0 FGADHM CCn1c(C)cc2c1CCC[C@@H]2NC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000825782753 607564263 /nfs/dbraw/zinc/56/42/63/607564263.db2.gz OACZJSFUQPBSMJ-INIZCTEOSA-N -1 3 365.441 3.196 20 0 FGADHM CCn1c(C)cc2c1CCC[C@@H]2NC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000825782753 607564266 /nfs/dbraw/zinc/56/42/66/607564266.db2.gz OACZJSFUQPBSMJ-INIZCTEOSA-N -1 3 365.441 3.196 20 0 FGADHM CN(C[C@@H]1CCN(Cn2c3ccccc3nc2SC(F)F)C1)C(=O)[O-] ZINC000739664240 602524709 /nfs/dbraw/zinc/52/47/09/602524709.db2.gz MHIQPGJQLJYCOI-NSHDSACASA-N -1 3 370.425 3.240 20 0 FGADHM CCN1CCC[C@H](NC(=O)Nc2ccc(NC(=O)[O-])cc2C(F)(F)F)C1 ZINC000739454371 602598185 /nfs/dbraw/zinc/59/81/85/602598185.db2.gz KYDCVLBPOJJBIQ-NSHDSACASA-N -1 3 374.363 3.401 20 0 FGADHM Cc1ccc([C@@H](CNC(=O)CCC(C)(C)NC(=O)[O-])N2CCCC2)cc1 ZINC000740117810 602828472 /nfs/dbraw/zinc/82/84/72/602828472.db2.gz MRQJAHDJPGHBRU-QGZVFWFLSA-N -1 3 361.486 3.075 20 0 FGADHM Cc1c(NC(=O)c2ccc(-c3nnn[n-]3)cc2)cnn1-c1cc(C)ccc1C ZINC000826284533 607589963 /nfs/dbraw/zinc/58/99/63/607589963.db2.gz WSLZVWDMUZQZBL-UHFFFAOYSA-N -1 3 373.420 3.230 20 0 FGADHM Cc1c(NC(=O)c2ccc(-c3nn[n-]n3)cc2)cnn1-c1cc(C)ccc1C ZINC000826284533 607589964 /nfs/dbraw/zinc/58/99/64/607589964.db2.gz WSLZVWDMUZQZBL-UHFFFAOYSA-N -1 3 373.420 3.230 20 0 FGADHM O=C([O-])NCc1ccc(C(=O)N(CCN2CCCC2)c2ccccc2)cc1 ZINC000740670836 603009620 /nfs/dbraw/zinc/00/96/20/603009620.db2.gz INSOWZAPOYHPQJ-UHFFFAOYSA-N -1 3 367.449 3.197 20 0 FGADHM CC(C)[C@](C)(CNC(=O)[O-])NCC(=O)Nc1c(Cl)cccc1Cl ZINC000738772422 603080823 /nfs/dbraw/zinc/08/08/23/603080823.db2.gz PMIZBOFUWOALHR-HNNXBMFYSA-N -1 3 362.257 3.204 20 0 FGADHM COc1ccc(COC(=O)[C@@H](C)c2cccc(C)c2)cc1-c1nnn[n-]1 ZINC000826204485 607609151 /nfs/dbraw/zinc/60/91/51/607609151.db2.gz MYKCOJQWFWSDTD-ZDUSSCGKSA-N -1 3 352.394 3.031 20 0 FGADHM COc1ccc(COC(=O)[C@@H](C)c2cccc(C)c2)cc1-c1nn[n-]n1 ZINC000826204485 607609153 /nfs/dbraw/zinc/60/91/53/607609153.db2.gz MYKCOJQWFWSDTD-ZDUSSCGKSA-N -1 3 352.394 3.031 20 0 FGADHM COc1ccc(COC(=O)c2ccc(F)c(Cl)c2)cc1-c1nnn[n-]1 ZINC000826206147 607613958 /nfs/dbraw/zinc/61/39/58/607613958.db2.gz FRMMLHRRFRMKHP-UHFFFAOYSA-N -1 3 362.748 3.025 20 0 FGADHM COc1ccc(COC(=O)c2ccc(F)c(Cl)c2)cc1-c1nn[n-]n1 ZINC000826206147 607613959 /nfs/dbraw/zinc/61/39/59/607613959.db2.gz FRMMLHRRFRMKHP-UHFFFAOYSA-N -1 3 362.748 3.025 20 0 FGADHM C[C@H](C(=O)NC[C@H](c1ccccc1)N(C)C)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823693775 603222632 /nfs/dbraw/zinc/22/26/32/603222632.db2.gz MRYNCZWQPZZTPJ-IPELMVKDSA-N -1 3 369.465 3.051 20 0 FGADHM CCc1ncsc1NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000825754952 607621597 /nfs/dbraw/zinc/62/15/97/607621597.db2.gz LDVWBEPBNSNBEZ-UHFFFAOYSA-N -1 3 369.454 3.082 20 0 FGADHM CCc1ncsc1NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000825754952 607621600 /nfs/dbraw/zinc/62/16/00/607621600.db2.gz LDVWBEPBNSNBEZ-UHFFFAOYSA-N -1 3 369.454 3.082 20 0 FGADHM CC1CCN([C@H](CNC(=O)[C@H]2CC[C@@H](NC(=O)[O-])C2)c2ccccc2)CC1 ZINC000825945764 603508197 /nfs/dbraw/zinc/50/81/97/603508197.db2.gz ZMVJUHWQBDEHJV-IPMKNSEASA-N -1 3 373.497 3.012 20 0 FGADHM C[C@@H](NCc1ccc(NC(=O)[O-])nc1)c1ccc(N2CCCC2=O)cc1 ZINC000825503496 603540646 /nfs/dbraw/zinc/54/06/46/603540646.db2.gz VKIWIIBBSMHZQH-CYBMUJFWSA-N -1 3 354.410 3.149 20 0 FGADHM CCN(CC1CCN(Cc2cc(=O)oc3cc(C)ccc23)CC1)C(=O)[O-] ZINC000827098782 603543517 /nfs/dbraw/zinc/54/35/17/603543517.db2.gz HHDFZLFVIZJBRM-UHFFFAOYSA-N -1 3 358.438 3.313 20 0 FGADHM O=C([O-])Nc1ccc(CNCCc2nc(-c3cccc(Cl)c3)no2)cn1 ZINC000832842002 603555654 /nfs/dbraw/zinc/55/56/54/603555654.db2.gz MDWLKZHKWLDKAP-UHFFFAOYSA-N -1 3 373.800 3.207 20 0 FGADHM CC[C@H](NCc1ccc(NC(=O)[O-])nc1)[C@@H](O)c1c(F)cccc1F ZINC000826620321 603560515 /nfs/dbraw/zinc/56/05/15/603560515.db2.gz QSHCTOSFLCOGFW-XJKSGUPXSA-N -1 3 351.353 3.052 20 0 FGADHM C[C@@H](NC(=O)[O-])C1CCN(Cc2ccc(SC(=O)N(C)C)cc2)CC1 ZINC000825286785 603733695 /nfs/dbraw/zinc/73/36/95/603733695.db2.gz FSSHQRCJIYYTRA-CYBMUJFWSA-N -1 3 365.499 3.328 20 0 FGADHM Cc1cc(C)cc(NC(=S)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)c1 ZINC000826264499 607648445 /nfs/dbraw/zinc/64/84/45/607648445.db2.gz QLKHLVRDXPWUGI-UHFFFAOYSA-N -1 3 364.478 3.459 20 0 FGADHM Cc1cc(C)cc(NC(=S)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)c1 ZINC000826264499 607648447 /nfs/dbraw/zinc/64/84/47/607648447.db2.gz QLKHLVRDXPWUGI-UHFFFAOYSA-N -1 3 364.478 3.459 20 0 FGADHM CN(C(=O)[O-])[C@@H]1CCN(CCC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000827883521 603849348 /nfs/dbraw/zinc/84/93/48/603849348.db2.gz YWTAQFTZMSEEGW-SNVBAGLBSA-N -1 3 360.241 3.006 20 0 FGADHM O=C([O-])N1CCc2cccc(CNC[C@H](O)c3c(F)cccc3Cl)c21 ZINC000832087415 603866004 /nfs/dbraw/zinc/86/60/04/603866004.db2.gz SWPOFXQTILQHSS-HNNXBMFYSA-N -1 3 364.804 3.343 20 0 FGADHM O=C([O-])N1CCc2cccc(CN[C@H]3CCN(c4ncccc4Cl)C3)c21 ZINC000832087617 603870081 /nfs/dbraw/zinc/87/00/81/603870081.db2.gz YMKTXYPVFOSQPN-HNNXBMFYSA-N -1 3 372.856 3.144 20 0 FGADHM C[C@@H]1C[C@H](NC(=O)Cc2ccc(NC(=O)[O-])cc2)CN1Cc1ccccc1 ZINC000825794667 604006301 /nfs/dbraw/zinc/00/63/01/604006301.db2.gz NYLZBECVDPYURH-BEFAXECRSA-N -1 3 367.449 3.098 20 0 FGADHM Cc1c2cc(F)ccc2oc1CNC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000826249053 607671823 /nfs/dbraw/zinc/67/18/23/607671823.db2.gz JHHGBGDJSPGBBD-UHFFFAOYSA-N -1 3 365.368 3.299 20 0 FGADHM Cc1c2cc(F)ccc2oc1CNC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000826249053 607671825 /nfs/dbraw/zinc/67/18/25/607671825.db2.gz JHHGBGDJSPGBBD-UHFFFAOYSA-N -1 3 365.368 3.299 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NCc1ccc(OC(C)(C)C)cc1 ZINC000826249381 607672185 /nfs/dbraw/zinc/67/21/85/607672185.db2.gz ZVVSPJLVXYRIQR-UHFFFAOYSA-N -1 3 365.437 3.282 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NCc1ccc(OC(C)(C)C)cc1 ZINC000826249381 607672186 /nfs/dbraw/zinc/67/21/86/607672186.db2.gz ZVVSPJLVXYRIQR-UHFFFAOYSA-N -1 3 365.437 3.282 20 0 FGADHM C[C@H](NC(=O)[O-])[C@@H]1CCCN(Cc2cc(=O)oc3cc4c(cc23)CCC4)C1 ZINC000825265260 604242658 /nfs/dbraw/zinc/24/26/58/604242658.db2.gz RHBCMOHHMGRMDB-XJKSGUPXSA-N -1 3 370.449 3.150 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1cc(F)ccc1OC(C)C ZINC000826250281 607681562 /nfs/dbraw/zinc/68/15/62/607681562.db2.gz SYARNMFEMDPEHU-UHFFFAOYSA-N -1 3 355.373 3.354 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1cc(F)ccc1OC(C)C ZINC000826250281 607681563 /nfs/dbraw/zinc/68/15/63/607681563.db2.gz SYARNMFEMDPEHU-UHFFFAOYSA-N -1 3 355.373 3.354 20 0 FGADHM C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000828295805 604298034 /nfs/dbraw/zinc/29/80/34/604298034.db2.gz PRRYXAVWORHTQF-OAHLLOKOSA-N -1 3 370.424 3.261 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NCCCc1c[nH]c2ccccc12 ZINC000826248863 607686431 /nfs/dbraw/zinc/68/64/31/607686431.db2.gz ZMSOQAQUXFTIEV-UHFFFAOYSA-N -1 3 360.421 3.019 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NCCCc1c[nH]c2ccccc12 ZINC000826248863 607686432 /nfs/dbraw/zinc/68/64/32/607686432.db2.gz ZMSOQAQUXFTIEV-UHFFFAOYSA-N -1 3 360.421 3.019 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000826245266 607687681 /nfs/dbraw/zinc/68/76/81/607687681.db2.gz SKUIIVITDYUTOJ-OAHLLOKOSA-N -1 3 367.840 3.458 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000826245266 607687683 /nfs/dbraw/zinc/68/76/83/607687683.db2.gz SKUIIVITDYUTOJ-OAHLLOKOSA-N -1 3 367.840 3.458 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NCCOc1ccccc1C(C)C ZINC000826248288 607688592 /nfs/dbraw/zinc/68/85/92/607688592.db2.gz BXNOFMKWQLLIQK-UHFFFAOYSA-N -1 3 365.437 3.107 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NCCOc1ccccc1C(C)C ZINC000826248288 607688595 /nfs/dbraw/zinc/68/85/95/607688595.db2.gz BXNOFMKWQLLIQK-UHFFFAOYSA-N -1 3 365.437 3.107 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC000826243920 607693604 /nfs/dbraw/zinc/69/36/04/607693604.db2.gz ARUZYTCVIFVFSI-CZUORRHYSA-N -1 3 365.412 3.332 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC000826243920 607693605 /nfs/dbraw/zinc/69/36/05/607693605.db2.gz ARUZYTCVIFVFSI-CZUORRHYSA-N -1 3 365.412 3.332 20 0 FGADHM CC(C)N1CCN(c2cccc(NC(=O)c3ccc(C(=O)[O-])s3)c2)CC1 ZINC000833498838 604470865 /nfs/dbraw/zinc/47/08/65/604470865.db2.gz HUXNEVUITPAEAG-UHFFFAOYSA-N -1 3 373.478 3.229 20 0 FGADHM CCO[C@H]1C[C@H](NC(=O)c2ccc(-c3nnn[n-]3)cc2C)C12CCCCC2 ZINC000825582993 607695291 /nfs/dbraw/zinc/69/52/91/607695291.db2.gz PYJAJKXCSMDRAK-IRXDYDNUSA-N -1 3 369.469 3.033 20 0 FGADHM CCO[C@H]1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)cc2C)C12CCCCC2 ZINC000825582993 607695292 /nfs/dbraw/zinc/69/52/92/607695292.db2.gz PYJAJKXCSMDRAK-IRXDYDNUSA-N -1 3 369.469 3.033 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CC[C@H](c2ccccc2)[C@@H](C)C1 ZINC000826244979 607696100 /nfs/dbraw/zinc/69/61/00/607696100.db2.gz JRMIRIPCAFSKFR-YJBOKZPZSA-N -1 3 361.449 3.441 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CC[C@H](c2ccccc2)[C@@H](C)C1 ZINC000826244979 607696102 /nfs/dbraw/zinc/69/61/02/607696102.db2.gz JRMIRIPCAFSKFR-YJBOKZPZSA-N -1 3 361.449 3.441 20 0 FGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NCc1ccc(-c2cccnc2)cc1 ZINC000826249348 607698695 /nfs/dbraw/zinc/69/86/95/607698695.db2.gz XXLLXKQHIPTGSJ-UHFFFAOYSA-N -1 3 370.416 3.167 20 0 FGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NCc1ccc(-c2cccnc2)cc1 ZINC000826249348 607698697 /nfs/dbraw/zinc/69/86/97/607698697.db2.gz XXLLXKQHIPTGSJ-UHFFFAOYSA-N -1 3 370.416 3.167 20 0 FGADHM Cc1c(NC(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)cccc1C(=O)[O-] ZINC000833742315 604794588 /nfs/dbraw/zinc/79/45/88/604794588.db2.gz QIVZSZFBOLQVIB-ZWKOTPCHSA-N -1 3 353.422 3.260 20 0 FGADHM CCCc1c(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)[nH]c(C)c1C(=O)[O-] ZINC000833652986 604861004 /nfs/dbraw/zinc/86/10/04/604861004.db2.gz LCNGEMLWPUMEAI-VQIMIIECSA-N -1 3 369.465 3.149 20 0 FGADHM COc1ccc([C@H]2CCCCCN2C(=O)CN2CCC[C@H]2CC(=O)[O-])cc1 ZINC000833732845 604968311 /nfs/dbraw/zinc/96/83/11/604968311.db2.gz TXVMAXSVDDLCLT-PKOBYXMFSA-N -1 3 374.481 3.078 20 0 FGADHM COc1ccc([C@@H](C)N[C@H](C(=O)[O-])c2cccnc2)cc1Br ZINC000832226904 604987324 /nfs/dbraw/zinc/98/73/24/604987324.db2.gz SPTHNXKYACKCQW-BMIGLBTASA-N -1 3 365.227 3.329 20 0 FGADHM O=C(c1ccc(-c2nnn[n-]2)[nH]1)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000826471526 607732053 /nfs/dbraw/zinc/73/20/53/607732053.db2.gz CPFNDOVTFDGPQB-QGZVFWFLSA-N -1 3 361.409 3.044 20 0 FGADHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000826471526 607732054 /nfs/dbraw/zinc/73/20/54/607732054.db2.gz CPFNDOVTFDGPQB-QGZVFWFLSA-N -1 3 361.409 3.044 20 0 FGADHM CCc1ccc(C(C)(C)NCC(=O)N(C)c2ccccc2C(=O)[O-])cc1 ZINC000833668806 605145958 /nfs/dbraw/zinc/14/59/58/605145958.db2.gz CUGXNAWPWOYTJZ-UHFFFAOYSA-N -1 3 354.450 3.435 20 0 FGADHM C[C@@H]1CCC[C@H](NC(=O)CN[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])[C@@H]1C ZINC000833611619 605181158 /nfs/dbraw/zinc/18/11/58/605181158.db2.gz YQQCRFDBAHPAKK-RRIFGTCXSA-N -1 3 360.498 3.369 20 0 FGADHM CC1=C(C(=O)[O-])C[C@H](CN(C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)O1 ZINC000833578672 605322825 /nfs/dbraw/zinc/32/28/25/605322825.db2.gz VSFQDOZVGYBEIA-UHNFBRDESA-N -1 3 372.248 3.031 20 0 FGADHM O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826459556 607753034 /nfs/dbraw/zinc/75/30/34/607753034.db2.gz OYJSDJMVXQQBHG-UHFFFAOYSA-N -1 3 371.813 3.224 20 0 FGADHM O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826459556 607753035 /nfs/dbraw/zinc/75/30/35/607753035.db2.gz OYJSDJMVXQQBHG-UHFFFAOYSA-N -1 3 371.813 3.224 20 0 FGADHM CCOC(=O)Nc1ccc(NC(=O)c2sccc2C)cc1-c1nnn[n-]1 ZINC000825545773 607760534 /nfs/dbraw/zinc/76/05/34/607760534.db2.gz WOXVITVLUVYMCW-UHFFFAOYSA-N -1 3 372.410 3.057 20 0 FGADHM CCOC(=O)Nc1ccc(NC(=O)c2sccc2C)cc1-c1nn[n-]n1 ZINC000825545773 607760535 /nfs/dbraw/zinc/76/05/35/607760535.db2.gz WOXVITVLUVYMCW-UHFFFAOYSA-N -1 3 372.410 3.057 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N1CC[C@H]1c1cccc(F)c1 ZINC000826454022 607763856 /nfs/dbraw/zinc/76/38/56/607763856.db2.gz HHJLAZBWMZNEIO-HNNXBMFYSA-N -1 3 356.336 3.124 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N1CC[C@H]1c1cccc(F)c1 ZINC000826454022 607763857 /nfs/dbraw/zinc/76/38/57/607763857.db2.gz HHJLAZBWMZNEIO-HNNXBMFYSA-N -1 3 356.336 3.124 20 0 FGADHM CCOc1cc(CN2CC[C@@H](NC(=O)[O-])[C@@H](C)C2)ccc1OC(F)F ZINC000833861036 605598300 /nfs/dbraw/zinc/59/83/00/605598300.db2.gz FHHXPNDDQZNOLH-WCQYABFASA-N -1 3 358.385 3.165 20 0 FGADHM C[C@@H]1CC[C@H](NC(=O)COc2ccc(-c3nn[n-]n3)cc2)c2ccccc21 ZINC000824919539 607772029 /nfs/dbraw/zinc/77/20/29/607772029.db2.gz WGSPXCDFEGFLQV-ACJLOTCBSA-N -1 3 363.421 3.000 20 0 FGADHM O=C([O-])N[C@@H]1C[C@@H](NCc2ccnc(N3CCCC3)c2)c2ccccc21 ZINC000834159017 605792812 /nfs/dbraw/zinc/79/28/12/605792812.db2.gz QREZBZNSJVECPB-QZTJIDSGSA-N -1 3 352.438 3.225 20 0 FGADHM CN(CC(=O)C12CC3CC(CC(C3)C1)C2)C1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000833870579 605875927 /nfs/dbraw/zinc/87/59/27/605875927.db2.gz RIEANTTYKMFPEJ-IRHIMLSFSA-N -1 3 360.498 3.377 20 0 FGADHM COc1cc([C@@H](C)Nc2ccc(-c3nnn[n-]3)nc2)ccc1OCC(C)C ZINC000821708366 606038708 /nfs/dbraw/zinc/03/87/08/606038708.db2.gz NZCKOJMFDXTCJE-CYBMUJFWSA-N -1 3 368.441 3.478 20 0 FGADHM COc1cc([C@@H](C)Nc2ccc(-c3nn[n-]n3)nc2)ccc1OCC(C)C ZINC000821708366 606038714 /nfs/dbraw/zinc/03/87/14/606038714.db2.gz NZCKOJMFDXTCJE-CYBMUJFWSA-N -1 3 368.441 3.478 20 0 FGADHM C[C@@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2)c1cccnc1 ZINC000819877332 606052214 /nfs/dbraw/zinc/05/22/14/606052214.db2.gz TZMAJKBRPODDHF-LLVKDONJSA-N -1 3 368.466 3.334 20 0 FGADHM C[C@@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2)c1cccnc1 ZINC000819877332 606052220 /nfs/dbraw/zinc/05/22/20/606052220.db2.gz TZMAJKBRPODDHF-LLVKDONJSA-N -1 3 368.466 3.334 20 0 FGADHM c1ccc2nc(NC[C@H]3CCc4ccccc4N3)c(-c3nnn[n-]3)cc2c1 ZINC000823797169 606071456 /nfs/dbraw/zinc/07/14/56/606071456.db2.gz MGMYGKKRBZUFEU-OAHLLOKOSA-N -1 3 357.421 3.254 20 0 FGADHM c1ccc2nc(NC[C@H]3CCc4ccccc4N3)c(-c3nn[n-]n3)cc2c1 ZINC000823797169 606071461 /nfs/dbraw/zinc/07/14/61/606071461.db2.gz MGMYGKKRBZUFEU-OAHLLOKOSA-N -1 3 357.421 3.254 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H](C)[C@@H](C)c1ccccc1 ZINC000821761624 606120853 /nfs/dbraw/zinc/12/08/53/606120853.db2.gz CNPKISOSUSXNBZ-CHWSQXEVSA-N -1 3 366.425 3.189 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H](C)[C@@H](C)c1ccccc1 ZINC000821761624 606120854 /nfs/dbraw/zinc/12/08/54/606120854.db2.gz CNPKISOSUSXNBZ-CHWSQXEVSA-N -1 3 366.425 3.189 20 0 FGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N1CCCC[C@@H]1c1nccs1 ZINC000823359187 606121174 /nfs/dbraw/zinc/12/11/74/606121174.db2.gz JVGJJHOMRZDGPM-CYBMUJFWSA-N -1 3 355.427 3.082 20 0 FGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N1CCCC[C@@H]1c1nccs1 ZINC000823359187 606121175 /nfs/dbraw/zinc/12/11/75/606121175.db2.gz JVGJJHOMRZDGPM-CYBMUJFWSA-N -1 3 355.427 3.082 20 0 FGADHM COc1ccc([C@H](C)CC(=O)OCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000821777609 606127949 /nfs/dbraw/zinc/12/79/49/606127949.db2.gz JKCAJFPXDMWRDM-GFCCVEGCSA-N -1 3 370.384 3.251 20 0 FGADHM COc1ccc([C@H](C)CC(=O)OCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000821777609 606127951 /nfs/dbraw/zinc/12/79/51/606127951.db2.gz JKCAJFPXDMWRDM-GFCCVEGCSA-N -1 3 370.384 3.251 20 0 FGADHM CCOc1ccc(NCc2ccc(OC)c(-c3nnn[n-]3)c2)cc1OCC ZINC000821421706 606132645 /nfs/dbraw/zinc/13/26/45/606132645.db2.gz DDCXBGYFVZNJEU-UHFFFAOYSA-N -1 3 369.425 3.285 20 0 FGADHM CCOc1ccc(NCc2ccc(OC)c(-c3nn[n-]n3)c2)cc1OCC ZINC000821421706 606132646 /nfs/dbraw/zinc/13/26/46/606132646.db2.gz DDCXBGYFVZNJEU-UHFFFAOYSA-N -1 3 369.425 3.285 20 0 FGADHM CSCc1cc(C(=O)OCc2ccccc2-c2nnn[n-]2)ccc1F ZINC000821970187 606134712 /nfs/dbraw/zinc/13/47/12/606134712.db2.gz KONOIZHELXJURI-UHFFFAOYSA-N -1 3 358.398 3.226 20 0 FGADHM CSCc1cc(C(=O)OCc2ccccc2-c2nn[n-]n2)ccc1F ZINC000821970187 606134713 /nfs/dbraw/zinc/13/47/13/606134713.db2.gz KONOIZHELXJURI-UHFFFAOYSA-N -1 3 358.398 3.226 20 0 FGADHM Cc1nc(CCCC(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000822440125 606177789 /nfs/dbraw/zinc/17/77/89/606177789.db2.gz HSLMTUJCDLUWNY-NSHDSACASA-N -1 3 357.439 3.259 20 0 FGADHM Cc1nc(CCCC(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000822440125 606177790 /nfs/dbraw/zinc/17/77/90/606177790.db2.gz HSLMTUJCDLUWNY-NSHDSACASA-N -1 3 357.439 3.259 20 0 FGADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)Nc1ccc2nc(C3CC3)oc2c1 ZINC000822979194 606190381 /nfs/dbraw/zinc/19/03/81/606190381.db2.gz YRWUBFLSRWOGIO-UHFFFAOYSA-N -1 3 374.404 3.457 20 0 FGADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)Nc1ccc2nc(C3CC3)oc2c1 ZINC000822979194 606190382 /nfs/dbraw/zinc/19/03/82/606190382.db2.gz YRWUBFLSRWOGIO-UHFFFAOYSA-N -1 3 374.404 3.457 20 0 FGADHM COc1cccc(C(C)=CC(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821857885 606219618 /nfs/dbraw/zinc/21/96/18/606219618.db2.gz BGIRDZRQKXIHIK-CMPYXILNSA-N -1 3 363.421 3.156 20 0 FGADHM COc1cccc(C(C)=CC(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821857885 606219619 /nfs/dbraw/zinc/21/96/19/606219619.db2.gz BGIRDZRQKXIHIK-CMPYXILNSA-N -1 3 363.421 3.156 20 0 FGADHM CCn1c2ccccc2nc1[C@H](C)NCc1cc(-c2nnn[n-]2)cs1 ZINC000821563855 606219668 /nfs/dbraw/zinc/21/96/68/606219668.db2.gz IPLBJBCBGLQWTH-NSHDSACASA-N -1 3 353.455 3.149 20 0 FGADHM CCn1c2ccccc2nc1[C@H](C)NCc1cc(-c2nn[n-]n2)cs1 ZINC000821563855 606219670 /nfs/dbraw/zinc/21/96/70/606219670.db2.gz IPLBJBCBGLQWTH-NSHDSACASA-N -1 3 353.455 3.149 20 0 FGADHM O=C(OCc1csc(C2CCCCC2)n1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823440554 606233982 /nfs/dbraw/zinc/23/39/82/606233982.db2.gz ZBFJIUYBIJGMCC-UHFFFAOYSA-N -1 3 358.427 3.056 20 0 FGADHM O=C(OCc1csc(C2CCCCC2)n1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823440554 606233984 /nfs/dbraw/zinc/23/39/84/606233984.db2.gz ZBFJIUYBIJGMCC-UHFFFAOYSA-N -1 3 358.427 3.056 20 0 FGADHM Cc1cc(Cl)ccc1N[C@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O ZINC000822202255 606243825 /nfs/dbraw/zinc/24/38/25/606243825.db2.gz SJAAHNLQKAIDMT-ZDUSSCGKSA-N -1 3 374.857 3.107 20 0 FGADHM Cc1cc(Cl)ccc1N[C@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O ZINC000822202255 606243827 /nfs/dbraw/zinc/24/38/27/606243827.db2.gz SJAAHNLQKAIDMT-ZDUSSCGKSA-N -1 3 374.857 3.107 20 0 FGADHM C[C@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1ccc(-c2ccccc2)cc1 ZINC000820384840 606244727 /nfs/dbraw/zinc/24/47/27/606244727.db2.gz LWNMTADHDLWTIF-ZDUSSCGKSA-N -1 3 358.405 3.353 20 0 FGADHM C[C@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1ccc(-c2ccccc2)cc1 ZINC000820384840 606244730 /nfs/dbraw/zinc/24/47/30/606244730.db2.gz LWNMTADHDLWTIF-ZDUSSCGKSA-N -1 3 358.405 3.353 20 0 FGADHM CCN(CC)C(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000821175170 606244962 /nfs/dbraw/zinc/24/49/62/606244962.db2.gz HAOQJZDPVJPCJF-UHFFFAOYSA-N -1 3 353.451 3.500 20 0 FGADHM CCN(CC)C(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000821175170 606244964 /nfs/dbraw/zinc/24/49/64/606244964.db2.gz HAOQJZDPVJPCJF-UHFFFAOYSA-N -1 3 353.451 3.500 20 0 FGADHM CC(C)COc1ccc(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)cc1Cl ZINC000820103407 606254012 /nfs/dbraw/zinc/25/40/12/606254012.db2.gz YFTQDOYUEOYPMA-UHFFFAOYSA-N -1 3 360.805 3.135 20 0 FGADHM CC(C)COc1ccc(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)cc1Cl ZINC000820103407 606254013 /nfs/dbraw/zinc/25/40/13/606254013.db2.gz YFTQDOYUEOYPMA-UHFFFAOYSA-N -1 3 360.805 3.135 20 0 FGADHM CCn1cc(CC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)c2ccccc21 ZINC000821565035 606265111 /nfs/dbraw/zinc/26/51/11/606265111.db2.gz ANGKRIOXFNCFPL-UHFFFAOYSA-N -1 3 364.384 3.162 20 0 FGADHM CCn1cc(CC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)c2ccccc21 ZINC000821565035 606265113 /nfs/dbraw/zinc/26/51/13/606265113.db2.gz ANGKRIOXFNCFPL-UHFFFAOYSA-N -1 3 364.384 3.162 20 0 FGADHM CC(C)(C)c1ncc(C=CC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)s1 ZINC000819965296 606269940 /nfs/dbraw/zinc/26/99/40/606269940.db2.gz AHXACSYGCLGCQJ-ALCCZGGFSA-N -1 3 372.429 3.412 20 0 FGADHM CC(C)(C)c1ncc(C=CC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)s1 ZINC000819965296 606269942 /nfs/dbraw/zinc/26/99/42/606269942.db2.gz AHXACSYGCLGCQJ-ALCCZGGFSA-N -1 3 372.429 3.412 20 0 FGADHM Cc1cc(OCc2ccccc2)ccc1NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000822211683 606277137 /nfs/dbraw/zinc/27/71/37/606277137.db2.gz KUZCCXQAMJSWCZ-UHFFFAOYSA-N -1 3 374.404 3.335 20 0 FGADHM Cc1cc(OCc2ccccc2)ccc1NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000822211683 606277138 /nfs/dbraw/zinc/27/71/38/606277138.db2.gz KUZCCXQAMJSWCZ-UHFFFAOYSA-N -1 3 374.404 3.335 20 0 FGADHM C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000820641904 606279580 /nfs/dbraw/zinc/27/95/80/606279580.db2.gz FIWAJFRJUSHCCC-WFXOGFMASA-N -1 3 359.433 3.285 20 0 FGADHM C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000820641904 606279581 /nfs/dbraw/zinc/27/95/81/606279581.db2.gz FIWAJFRJUSHCCC-WFXOGFMASA-N -1 3 359.433 3.285 20 0 FGADHM COC(=O)[C@@H](NC(CC(C)C)CC(C)C)c1cccc(-c2nnn[n-]2)c1 ZINC000821642295 606304678 /nfs/dbraw/zinc/30/46/78/606304678.db2.gz GYTCNJRYCHELSJ-KRWDZBQOSA-N -1 3 359.474 3.131 20 0 FGADHM COC(=O)[C@@H](NC(CC(C)C)CC(C)C)c1cccc(-c2nn[n-]n2)c1 ZINC000821642295 606304681 /nfs/dbraw/zinc/30/46/81/606304681.db2.gz GYTCNJRYCHELSJ-KRWDZBQOSA-N -1 3 359.474 3.131 20 0 FGADHM CS/C=C\C(=O)Nc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000821955834 606310375 /nfs/dbraw/zinc/31/03/75/606310375.db2.gz CCOIETNQSDCLLJ-HJWRWDBZSA-N -1 3 367.434 3.261 20 0 FGADHM CS/C=C\C(=O)Nc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000821955834 606310377 /nfs/dbraw/zinc/31/03/77/606310377.db2.gz CCOIETNQSDCLLJ-HJWRWDBZSA-N -1 3 367.434 3.261 20 0 FGADHM Cc1ccc(S[C@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)cc1 ZINC000822266727 606310636 /nfs/dbraw/zinc/31/06/36/606310636.db2.gz FVBVCJNNPWCLRJ-ZDUSSCGKSA-N -1 3 357.464 3.134 20 0 FGADHM Cc1ccc(S[C@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)cc1 ZINC000822266727 606310637 /nfs/dbraw/zinc/31/06/37/606310637.db2.gz FVBVCJNNPWCLRJ-ZDUSSCGKSA-N -1 3 357.464 3.134 20 0 FGADHM Cc1nn(-c2ccccc2)c(CSCC(=O)C(C)(C)C)c1-c1nnn[n-]1 ZINC000822486430 606312878 /nfs/dbraw/zinc/31/28/78/606312878.db2.gz JVMPKIORQLDKCW-UHFFFAOYSA-N -1 3 370.482 3.209 20 0 FGADHM CCN(C(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000821154286 606323415 /nfs/dbraw/zinc/32/34/15/606323415.db2.gz LICYFJCNDSLUMP-KRWDZBQOSA-N -1 3 370.432 3.063 20 0 FGADHM CCN(C(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000821154286 606323416 /nfs/dbraw/zinc/32/34/16/606323416.db2.gz LICYFJCNDSLUMP-KRWDZBQOSA-N -1 3 370.432 3.063 20 0 FGADHM CCN(Cc1ccccc1)C(=O)[C@@H](C)Sc1cccc(-c2nnn[n-]2)c1 ZINC000821222186 606325408 /nfs/dbraw/zinc/32/54/08/606325408.db2.gz PWTPKZBZNSGGBU-CQSZACIVSA-N -1 3 367.478 3.396 20 0 FGADHM CCN(Cc1ccccc1)C(=O)[C@@H](C)Sc1cccc(-c2nn[n-]n2)c1 ZINC000821222186 606325410 /nfs/dbraw/zinc/32/54/10/606325410.db2.gz PWTPKZBZNSGGBU-CQSZACIVSA-N -1 3 367.478 3.396 20 0 FGADHM Cc1ccc([C@H](C)NC(=O)CSc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000822229249 606326351 /nfs/dbraw/zinc/32/63/51/606326351.db2.gz PYUPXCCFPZEVLE-AWEZNQCLSA-N -1 3 367.478 3.453 20 0 FGADHM Cc1ccc([C@H](C)NC(=O)CSc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000822229249 606326354 /nfs/dbraw/zinc/32/63/54/606326354.db2.gz PYUPXCCFPZEVLE-AWEZNQCLSA-N -1 3 367.478 3.453 20 0 FGADHM C[C@H](OC(=O)CCOc1cccc(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820495914 606338803 /nfs/dbraw/zinc/33/88/03/606338803.db2.gz KNEBSXDXRGZDOG-LBPRGKRZSA-N -1 3 356.357 3.079 20 0 FGADHM C[C@H](OC(=O)CCOc1cccc(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820495914 606338805 /nfs/dbraw/zinc/33/88/05/606338805.db2.gz KNEBSXDXRGZDOG-LBPRGKRZSA-N -1 3 356.357 3.079 20 0 FGADHM C[C@H](OC(=O)CCCOCc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820497140 606340437 /nfs/dbraw/zinc/34/04/37/606340437.db2.gz QBQDBDXJWPEQIO-HNNXBMFYSA-N -1 3 366.421 3.468 20 0 FGADHM C[C@H](OC(=O)CCCOCc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820497140 606340439 /nfs/dbraw/zinc/34/04/39/606340439.db2.gz QBQDBDXJWPEQIO-HNNXBMFYSA-N -1 3 366.421 3.468 20 0 FGADHM CCO[C@@H](C(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000821346763 606342819 /nfs/dbraw/zinc/34/28/19/606342819.db2.gz PLFKBCSCXBITMK-SUMWQHHRSA-N -1 3 352.394 3.249 20 0 FGADHM CCO[C@@H](C(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000821346763 606342822 /nfs/dbraw/zinc/34/28/22/606342822.db2.gz PLFKBCSCXBITMK-SUMWQHHRSA-N -1 3 352.394 3.249 20 0 FGADHM C[C@H](OC(=O)c1ccc(C(F)(F)F)cn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820512441 606343134 /nfs/dbraw/zinc/34/31/34/606343134.db2.gz KMBSQAOQSYAGLO-VIFPVBQESA-N -1 3 363.299 3.199 20 0 FGADHM C[C@H](OC(=O)c1ccc(C(F)(F)F)cn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820512441 606343136 /nfs/dbraw/zinc/34/31/36/606343136.db2.gz KMBSQAOQSYAGLO-VIFPVBQESA-N -1 3 363.299 3.199 20 0 FGADHM C[C@@H](OC(=O)Cc1ccc(OC(F)F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820496041 606343939 /nfs/dbraw/zinc/34/39/39/606343939.db2.gz LDORGPDSRNYKRK-LLVKDONJSA-N -1 3 374.347 3.315 20 0 FGADHM C[C@@H](OC(=O)Cc1ccc(OC(F)F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820496041 606343940 /nfs/dbraw/zinc/34/39/40/606343940.db2.gz LDORGPDSRNYKRK-LLVKDONJSA-N -1 3 374.347 3.315 20 0 FGADHM C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820666734 606346081 /nfs/dbraw/zinc/34/60/81/606346081.db2.gz JGWTVPGKPZFZMY-TZMCWYRMSA-N -1 3 366.400 3.416 20 0 FGADHM C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820666734 606346083 /nfs/dbraw/zinc/34/60/83/606346083.db2.gz JGWTVPGKPZFZMY-TZMCWYRMSA-N -1 3 366.400 3.416 20 0 FGADHM Cc1cccc(O[C@H](C)C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822328451 606347098 /nfs/dbraw/zinc/34/70/98/606347098.db2.gz QBAUKHWEJZWXNW-UONOGXRCSA-N -1 3 352.394 3.247 20 0 FGADHM Cc1cccc(O[C@H](C)C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822328451 606347100 /nfs/dbraw/zinc/34/71/00/606347100.db2.gz QBAUKHWEJZWXNW-UONOGXRCSA-N -1 3 352.394 3.247 20 0 FGADHM CC1(c2ccccc2)CC(NC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000820635247 606348767 /nfs/dbraw/zinc/34/87/67/606348767.db2.gz LAXVMNAAKYHVRI-UHFFFAOYSA-N -1 3 366.400 3.248 20 0 FGADHM CC1(c2ccccc2)CC(NC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000820635247 606348769 /nfs/dbraw/zinc/34/87/69/606348769.db2.gz LAXVMNAAKYHVRI-UHFFFAOYSA-N -1 3 366.400 3.248 20 0 FGADHM Cc1ccc2c(c1)CC[C@@H]2NC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000822275860 606349660 /nfs/dbraw/zinc/34/96/60/606349660.db2.gz YMQNMWRJPRYVHB-HNNXBMFYSA-N -1 3 352.373 3.123 20 0 FGADHM Cc1ccc2c(c1)CC[C@@H]2NC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000822275860 606349661 /nfs/dbraw/zinc/34/96/61/606349661.db2.gz YMQNMWRJPRYVHB-HNNXBMFYSA-N -1 3 352.373 3.123 20 0 FGADHM C[C@H](OC(=O)CCc1cccc(F)c1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000820498144 606352767 /nfs/dbraw/zinc/35/27/67/606352767.db2.gz YQQVWLZJQDGAGV-NSHDSACASA-N -1 3 358.348 3.382 20 0 FGADHM C[C@H](OC(=O)CCc1cccc(F)c1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000820498144 606352769 /nfs/dbraw/zinc/35/27/69/606352769.db2.gz YQQVWLZJQDGAGV-NSHDSACASA-N -1 3 358.348 3.382 20 0 FGADHM C[C@H](OC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820488811 606354308 /nfs/dbraw/zinc/35/43/08/606354308.db2.gz URCYNSRLXUARHF-MZPVMMEZSA-N -1 3 352.369 3.414 20 0 FGADHM C[C@H](OC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820488811 606354310 /nfs/dbraw/zinc/35/43/10/606354310.db2.gz URCYNSRLXUARHF-MZPVMMEZSA-N -1 3 352.369 3.414 20 0 FGADHM COc1ccc(C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c(Cl)c1 ZINC000821772648 606355406 /nfs/dbraw/zinc/35/54/06/606355406.db2.gz JVJKDQGBQCXWNQ-JTQLQIEISA-N -1 3 358.785 3.447 20 0 FGADHM COc1ccc(C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC000821772648 606355407 /nfs/dbraw/zinc/35/54/07/606355407.db2.gz JVJKDQGBQCXWNQ-JTQLQIEISA-N -1 3 358.785 3.447 20 0 FGADHM Cc1cc(C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)nn1-c1ccccc1 ZINC000822183659 606357259 /nfs/dbraw/zinc/35/72/59/606357259.db2.gz JGWDNRJZAJFGSL-CQSZACIVSA-N -1 3 374.404 3.279 20 0 FGADHM Cc1cc(C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)nn1-c1ccccc1 ZINC000822183659 606357261 /nfs/dbraw/zinc/35/72/61/606357261.db2.gz JGWDNRJZAJFGSL-CQSZACIVSA-N -1 3 374.404 3.279 20 0 FGADHM C[C@@H](OC(=O)CCOCc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820495350 606359527 /nfs/dbraw/zinc/35/95/27/606359527.db2.gz HICSAAMWPNRJCS-CQSZACIVSA-N -1 3 352.394 3.078 20 0 FGADHM C[C@@H](OC(=O)CCOCc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820495350 606359530 /nfs/dbraw/zinc/35/95/30/606359530.db2.gz HICSAAMWPNRJCS-CQSZACIVSA-N -1 3 352.394 3.078 20 0 FGADHM CC[C@@H](C(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1)c1c(C)noc1C ZINC000820842149 606360133 /nfs/dbraw/zinc/36/01/33/606360133.db2.gz KLTFEHOILYMDTC-IAQYHMDHSA-N -1 3 355.398 3.270 20 0 FGADHM CC[C@@H](C(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1)c1c(C)noc1C ZINC000820842149 606360135 /nfs/dbraw/zinc/36/01/35/606360135.db2.gz KLTFEHOILYMDTC-IAQYHMDHSA-N -1 3 355.398 3.270 20 0 FGADHM CC[C@H](C(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)c1c(C)noc1C ZINC000820842150 606360139 /nfs/dbraw/zinc/36/01/39/606360139.db2.gz KLTFEHOILYMDTC-NHYWBVRUSA-N -1 3 355.398 3.270 20 0 FGADHM CC[C@H](C(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)c1c(C)noc1C ZINC000820842150 606360141 /nfs/dbraw/zinc/36/01/41/606360141.db2.gz KLTFEHOILYMDTC-NHYWBVRUSA-N -1 3 355.398 3.270 20 0 FGADHM CS/C=C\C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821956118 606360919 /nfs/dbraw/zinc/36/09/19/606360919.db2.gz HNYUHCOTLCSASK-KTKRTIGZSA-N -1 3 367.434 3.261 20 0 FGADHM CS/C=C\C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821956118 606360920 /nfs/dbraw/zinc/36/09/20/606360920.db2.gz HNYUHCOTLCSASK-KTKRTIGZSA-N -1 3 367.434 3.261 20 0 FGADHM Cc1c(C(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cnc2ccccc12 ZINC000822015654 606362821 /nfs/dbraw/zinc/36/28/21/606362821.db2.gz MSZMXPWKDXOSBS-ZDUSSCGKSA-N -1 3 358.405 3.214 20 0 FGADHM Cc1c(C(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cnc2ccccc12 ZINC000822015654 606362823 /nfs/dbraw/zinc/36/28/23/606362823.db2.gz MSZMXPWKDXOSBS-ZDUSSCGKSA-N -1 3 358.405 3.214 20 0 FGADHM CCS[C@@H]1CCC[C@@H](NC(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000821456555 606384682 /nfs/dbraw/zinc/38/46/82/606384682.db2.gz PYFYTRFPQYAEAM-HZPDHXFCSA-N -1 3 374.514 3.072 20 0 FGADHM CCS[C@@H]1CCC[C@@H](NC(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000821456555 606384684 /nfs/dbraw/zinc/38/46/84/606384684.db2.gz PYFYTRFPQYAEAM-HZPDHXFCSA-N -1 3 374.514 3.072 20 0 FGADHM CCS[C@@H]1CCC[C@H](NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000821455829 606384694 /nfs/dbraw/zinc/38/46/94/606384694.db2.gz LYGROZKFMLPWCC-VBNZEHGJSA-N -1 3 374.514 3.291 20 0 FGADHM CCS[C@@H]1CCC[C@H](NC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000821455829 606384696 /nfs/dbraw/zinc/38/46/96/606384696.db2.gz LYGROZKFMLPWCC-VBNZEHGJSA-N -1 3 374.514 3.291 20 0 FGADHM CCN1C(=O)c2cc(Cl)ccc2N[C@@H]1c1ccc(-c2nnn[n-]2)s1 ZINC000821240485 606393192 /nfs/dbraw/zinc/39/31/92/606393192.db2.gz HCNNEOHVQNIRQZ-AWEZNQCLSA-N -1 3 360.830 3.168 20 0 FGADHM C[C@@H](OC(=O)c1cc(-c2ccccc2)[nH]n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820503087 606396438 /nfs/dbraw/zinc/39/64/38/606396438.db2.gz YLAPJZULJINRFI-GFCCVEGCSA-N -1 3 360.377 3.175 20 0 FGADHM Fc1cc(CSc2cc(-c3nnn[n-]3)ccn2)ccc1Br ZINC000822748415 606399824 /nfs/dbraw/zinc/39/98/24/606399824.db2.gz XUUKITCTWJSAHU-UHFFFAOYSA-N -1 3 366.219 3.456 20 0 FGADHM Fc1cc(CSc2cc(-c3nn[n-]n3)ccn2)ccc1Br ZINC000822748415 606399825 /nfs/dbraw/zinc/39/98/25/606399825.db2.gz XUUKITCTWJSAHU-UHFFFAOYSA-N -1 3 366.219 3.456 20 0 FGADHM Cc1cccc(C)c1OCC(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000822293641 606415521 /nfs/dbraw/zinc/41/55/21/606415521.db2.gz FPHHIQBKSPFVJE-UHFFFAOYSA-N -1 3 371.828 3.179 20 0 FGADHM Cc1cccc(C)c1OCC(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000822293641 606415522 /nfs/dbraw/zinc/41/55/22/606415522.db2.gz FPHHIQBKSPFVJE-UHFFFAOYSA-N -1 3 371.828 3.179 20 0 FGADHM c1csc([C@H](NCc2ccc(-c3nnn[n-]3)s2)c2ccccc2)n1 ZINC000823774108 606416018 /nfs/dbraw/zinc/41/60/18/606416018.db2.gz ZPHFXKNFSJKYAI-CQSZACIVSA-N -1 3 354.464 3.264 20 0 FGADHM c1csc([C@H](NCc2ccc(-c3nn[n-]n3)s2)c2ccccc2)n1 ZINC000823774108 606416020 /nfs/dbraw/zinc/41/60/20/606416020.db2.gz ZPHFXKNFSJKYAI-CQSZACIVSA-N -1 3 354.464 3.264 20 0 FGADHM Cc1cc2nc(NC(=O)CCc3ccc(-c4nnn[n-]4)cc3)oc2c(C)c1 ZINC000822196433 606434511 /nfs/dbraw/zinc/43/45/11/606434511.db2.gz JJGQTEMXNMTNFT-UHFFFAOYSA-N -1 3 362.393 3.196 20 0 FGADHM Cc1cc2nc(NC(=O)CCc3ccc(-c4nn[n-]n4)cc3)oc2c(C)c1 ZINC000822196433 606434512 /nfs/dbraw/zinc/43/45/12/606434512.db2.gz JJGQTEMXNMTNFT-UHFFFAOYSA-N -1 3 362.393 3.196 20 0 FGADHM C[C@H]1CCCN1C(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000820708935 606438114 /nfs/dbraw/zinc/43/81/14/606438114.db2.gz ABOYOZQXLOOHBD-AWEZNQCLSA-N -1 3 363.421 3.070 20 0 FGADHM C[C@H]1CCCN1C(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000820708935 606438117 /nfs/dbraw/zinc/43/81/17/606438117.db2.gz ABOYOZQXLOOHBD-AWEZNQCLSA-N -1 3 363.421 3.070 20 0 FGADHM Cc1cc([C@@H](C)NC(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)ccc1F ZINC000822192046 606444132 /nfs/dbraw/zinc/44/41/32/606444132.db2.gz XMCSLVQGILDJAQ-CYBMUJFWSA-N -1 3 368.416 3.217 20 0 FGADHM Cc1cc([C@@H](C)NC(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)ccc1F ZINC000822192046 606444133 /nfs/dbraw/zinc/44/41/33/606444133.db2.gz XMCSLVQGILDJAQ-CYBMUJFWSA-N -1 3 368.416 3.217 20 0 FGADHM C[C@@H](Nc1c(Cl)cccc1-c1nnn[n-]1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000820451709 606455018 /nfs/dbraw/zinc/45/50/18/606455018.db2.gz WWKXBYZVSUWGGM-MRVPVSSYSA-N -1 3 355.789 3.275 20 0 FGADHM C[C@@H](Nc1c(Cl)cccc1-c1nn[n-]n1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000820451709 606455019 /nfs/dbraw/zinc/45/50/19/606455019.db2.gz WWKXBYZVSUWGGM-MRVPVSSYSA-N -1 3 355.789 3.275 20 0 FGADHM CCO[C@H]1C[C@@H](OC(=O)c2cc(-c3nnn[n-]3)cs2)C1(CC)CC ZINC000821358967 606469094 /nfs/dbraw/zinc/46/90/94/606469094.db2.gz LWPLDAQWGJOSNC-QWHCGFSZSA-N -1 3 350.444 3.069 20 0 FGADHM CCO[C@H]1C[C@@H](OC(=O)c2cc(-c3nn[n-]n3)cs2)C1(CC)CC ZINC000821358967 606469096 /nfs/dbraw/zinc/46/90/96/606469096.db2.gz LWPLDAQWGJOSNC-QWHCGFSZSA-N -1 3 350.444 3.069 20 0 FGADHM CN(c1ccccc1)C1CCN(c2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000821619294 606471450 /nfs/dbraw/zinc/47/14/50/606471450.db2.gz QHHKGMBQKHOGGE-UHFFFAOYSA-N -1 3 352.417 3.111 20 0 FGADHM CN(c1ccccc1)C1CCN(c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000821619294 606471452 /nfs/dbraw/zinc/47/14/52/606471452.db2.gz QHHKGMBQKHOGGE-UHFFFAOYSA-N -1 3 352.417 3.111 20 0 FGADHM O=C(Nc1ccc(N2CCCCC2)cc1)c1cc(-c2nnn[n-]2)cs1 ZINC000823350382 606477695 /nfs/dbraw/zinc/47/76/95/606477695.db2.gz LBACLMZEMWHVOX-UHFFFAOYSA-N -1 3 354.439 3.171 20 0 FGADHM O=C(Nc1ccc(N2CCCCC2)cc1)c1cc(-c2nn[n-]n2)cs1 ZINC000823350382 606477697 /nfs/dbraw/zinc/47/76/97/606477697.db2.gz LBACLMZEMWHVOX-UHFFFAOYSA-N -1 3 354.439 3.171 20 0 FGADHM CN(Cc1cccs1)Cc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000821615950 606479719 /nfs/dbraw/zinc/47/97/19/606479719.db2.gz VZPXTRPTSPYKQM-UHFFFAOYSA-N -1 3 351.382 3.162 20 0 FGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)C1(Cc2ccccc2)CC1 ZINC000821388990 606481775 /nfs/dbraw/zinc/48/17/75/606481775.db2.gz DNRRMXQGQHBWAA-UHFFFAOYSA-N -1 3 364.405 3.194 20 0 FGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)C1(Cc2ccccc2)CC1 ZINC000821388990 606481777 /nfs/dbraw/zinc/48/17/77/606481777.db2.gz DNRRMXQGQHBWAA-UHFFFAOYSA-N -1 3 364.405 3.194 20 0 FGADHM Cc1cc(NC(=O)c2cc(-c3nnn[n-]3)cs2)ccc1N1CCCC1 ZINC000822208450 606485631 /nfs/dbraw/zinc/48/56/31/606485631.db2.gz SFRPKINVEWZGLX-UHFFFAOYSA-N -1 3 354.439 3.089 20 0 FGADHM Cc1cc(NC(=O)c2cc(-c3nn[n-]n3)cs2)ccc1N1CCCC1 ZINC000822208450 606485634 /nfs/dbraw/zinc/48/56/34/606485634.db2.gz SFRPKINVEWZGLX-UHFFFAOYSA-N -1 3 354.439 3.089 20 0 FGADHM FC(F)Oc1cc(-c2nn[n-]n2)ccc1CN1CCC[C@@H]1c1ccco1 ZINC000822732892 606492670 /nfs/dbraw/zinc/49/26/70/606492670.db2.gz NVKZYKADYMPILR-CYBMUJFWSA-N -1 3 361.352 3.398 20 0 FGADHM CC(C)Oc1cccc([C@H](C)NC(=O)c2cc(-c3nnn[n-]3)cs2)c1 ZINC000820178505 606493482 /nfs/dbraw/zinc/49/34/82/606493482.db2.gz RWOBNIXUYLGUCC-NSHDSACASA-N -1 3 357.439 3.206 20 0 FGADHM CC(C)Oc1cccc([C@H](C)NC(=O)c2cc(-c3nn[n-]n3)cs2)c1 ZINC000820178505 606493484 /nfs/dbraw/zinc/49/34/84/606493484.db2.gz RWOBNIXUYLGUCC-NSHDSACASA-N -1 3 357.439 3.206 20 0 FGADHM C[C@H](NC(=O)c1cc(-c2nnn[n-]2)cs1)c1cccc(OC(F)F)c1 ZINC000820392340 606494431 /nfs/dbraw/zinc/49/44/31/606494431.db2.gz UUGIQOTYLOSGAU-QMMMGPOBSA-N -1 3 365.365 3.021 20 0 FGADHM C[C@H](NC(=O)c1cc(-c2nn[n-]n2)cs1)c1cccc(OC(F)F)c1 ZINC000820392340 606494432 /nfs/dbraw/zinc/49/44/32/606494432.db2.gz UUGIQOTYLOSGAU-QMMMGPOBSA-N -1 3 365.365 3.021 20 0 FGADHM CCSc1ccc(Cl)cc1C(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000821460865 606507509 /nfs/dbraw/zinc/50/75/09/606507509.db2.gz FTNJHIVYTPGZNL-UHFFFAOYSA-N -1 3 360.830 3.279 20 0 FGADHM CCSc1ccc(Cl)cc1C(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000821460865 606507511 /nfs/dbraw/zinc/50/75/11/606507511.db2.gz FTNJHIVYTPGZNL-UHFFFAOYSA-N -1 3 360.830 3.279 20 0 FGADHM CC(C)n1cc2cc(NC(=O)c3cc(-c4nnn[n-]4)cs3)ccc2n1 ZINC000820215740 606514025 /nfs/dbraw/zinc/51/40/25/606514025.db2.gz ZUPIJXZHHXVYPV-UHFFFAOYSA-N -1 3 353.411 3.111 20 0 FGADHM CC(C)n1cc2cc(NC(=O)c3cc(-c4nn[n-]n4)cs3)ccc2n1 ZINC000820215740 606514026 /nfs/dbraw/zinc/51/40/26/606514026.db2.gz ZUPIJXZHHXVYPV-UHFFFAOYSA-N -1 3 353.411 3.111 20 0 FGADHM Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)c2cc(-c3nnn[n-]3)cs2)C1 ZINC000822351537 606514559 /nfs/dbraw/zinc/51/45/59/606514559.db2.gz NYOCGNSMNMXODV-CHWSQXEVSA-N -1 3 353.451 3.255 20 0 FGADHM Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)c2cc(-c3nn[n-]n3)cs2)C1 ZINC000822351537 606514560 /nfs/dbraw/zinc/51/45/60/606514560.db2.gz NYOCGNSMNMXODV-CHWSQXEVSA-N -1 3 353.451 3.255 20 0 FGADHM CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820914601 606518957 /nfs/dbraw/zinc/51/89/57/606518957.db2.gz PVUKACMLRUJDDZ-OAHLLOKOSA-N -1 3 355.467 3.330 20 0 FGADHM CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820914601 606518959 /nfs/dbraw/zinc/51/89/59/606518959.db2.gz PVUKACMLRUJDDZ-OAHLLOKOSA-N -1 3 355.467 3.330 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)C/C=C\c1cccc(F)c1 ZINC000821699105 606519784 /nfs/dbraw/zinc/51/97/84/606519784.db2.gz BUILAOPAEWGMGP-HYXAFXHYSA-N -1 3 354.341 3.023 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)C/C=C\c1cccc(F)c1 ZINC000821699105 606519786 /nfs/dbraw/zinc/51/97/86/606519786.db2.gz BUILAOPAEWGMGP-HYXAFXHYSA-N -1 3 354.341 3.023 20 0 FGADHM CC(C)[C@H](Cc1ccc(F)cc1)N(C)C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820020280 606520134 /nfs/dbraw/zinc/52/01/34/606520134.db2.gz CXBANVOKSZZDCG-HNNXBMFYSA-N -1 3 373.457 3.407 20 0 FGADHM CC(C)[C@H](Cc1ccc(F)cc1)N(C)C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820020280 606520135 /nfs/dbraw/zinc/52/01/35/606520135.db2.gz CXBANVOKSZZDCG-HNNXBMFYSA-N -1 3 373.457 3.407 20 0 FGADHM O=C(Nc1ccc(F)c(Br)c1)c1cc(-c2nnn[n-]2)cs1 ZINC000823337527 606521664 /nfs/dbraw/zinc/52/16/64/606521664.db2.gz NGRXVOMKNHADQO-UHFFFAOYSA-N -1 3 368.191 3.082 20 0 FGADHM O=C(Nc1ccc(F)c(Br)c1)c1cc(-c2nn[n-]n2)cs1 ZINC000823337527 606521666 /nfs/dbraw/zinc/52/16/66/606521666.db2.gz NGRXVOMKNHADQO-UHFFFAOYSA-N -1 3 368.191 3.082 20 0 FGADHM C[C@H](NC(=O)C/C=C\c1cccc(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820323842 606523155 /nfs/dbraw/zinc/52/31/55/606523155.db2.gz ZOYHJJWLEMMWKL-DXTPNHAXSA-N -1 3 351.385 3.287 20 0 FGADHM C[C@H](NC(=O)C/C=C\c1cccc(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820323842 606523156 /nfs/dbraw/zinc/52/31/56/606523156.db2.gz ZOYHJJWLEMMWKL-DXTPNHAXSA-N -1 3 351.385 3.287 20 0 FGADHM CC(C)(CNC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1cccc(Cl)c1 ZINC000819981173 606538818 /nfs/dbraw/zinc/53/88/18/606538818.db2.gz OXWMQTWUYKDJAB-UHFFFAOYSA-N -1 3 369.856 3.157 20 0 FGADHM CC(C)(CNC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1cccc(Cl)c1 ZINC000819981173 606538820 /nfs/dbraw/zinc/53/88/20/606538820.db2.gz OXWMQTWUYKDJAB-UHFFFAOYSA-N -1 3 369.856 3.157 20 0 FGADHM O=C(c1cc(-c2nnn[n-]2)cs1)N1CCC[C@@H]1Cc1ccccc1Cl ZINC000823472157 606539236 /nfs/dbraw/zinc/53/92/36/606539236.db2.gz BVKKSESPUVIZTF-CYBMUJFWSA-N -1 3 373.869 3.429 20 0 FGADHM O=C(c1cc(-c2nn[n-]n2)cs1)N1CCC[C@@H]1Cc1ccccc1Cl ZINC000823472157 606539238 /nfs/dbraw/zinc/53/92/38/606539238.db2.gz BVKKSESPUVIZTF-CYBMUJFWSA-N -1 3 373.869 3.429 20 0 FGADHM C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)c2cc(-c3nnn[n-]3)cs2)C1 ZINC000820665028 606542328 /nfs/dbraw/zinc/54/23/28/606542328.db2.gz DGKXSSRDQUWAGU-HZMBPMFUSA-N -1 3 357.414 3.291 20 0 FGADHM C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)c2cc(-c3nn[n-]n3)cs2)C1 ZINC000820665028 606542329 /nfs/dbraw/zinc/54/23/29/606542329.db2.gz DGKXSSRDQUWAGU-HZMBPMFUSA-N -1 3 357.414 3.291 20 0 FGADHM O=C(c1cc(-c2nnn[n-]2)cs1)N1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000823472389 606542383 /nfs/dbraw/zinc/54/23/83/606542383.db2.gz KNEITVWXSOTSFF-ZDUSSCGKSA-N -1 3 361.377 3.184 20 0 FGADHM O=C(c1cc(-c2nn[n-]n2)cs1)N1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000823472389 606542385 /nfs/dbraw/zinc/54/23/85/606542385.db2.gz KNEITVWXSOTSFF-ZDUSSCGKSA-N -1 3 361.377 3.184 20 0 FGADHM CC(C)(CNC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1ccccc1Cl ZINC000819981153 606548248 /nfs/dbraw/zinc/54/82/48/606548248.db2.gz NJVNGHZSKWZFSC-UHFFFAOYSA-N -1 3 369.856 3.157 20 0 FGADHM CC(C)(CNC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1ccccc1Cl ZINC000819981153 606548250 /nfs/dbraw/zinc/54/82/50/606548250.db2.gz NJVNGHZSKWZFSC-UHFFFAOYSA-N -1 3 369.856 3.157 20 0 FGADHM C[C@@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccc(F)cc1F ZINC000821994674 606553111 /nfs/dbraw/zinc/55/31/11/606553111.db2.gz CDRSEMRTNAXEBY-OALRPVAKSA-N -1 3 355.348 3.036 20 0 FGADHM C[C@@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC000821994674 606553112 /nfs/dbraw/zinc/55/31/12/606553112.db2.gz CDRSEMRTNAXEBY-OALRPVAKSA-N -1 3 355.348 3.036 20 0 FGADHM O=C(NC[C@H]1CCC[C@@H](C(F)(F)F)C1)c1sccc1-c1nnn[n-]1 ZINC000823175873 606554641 /nfs/dbraw/zinc/55/46/41/606554641.db2.gz NVVXPZWGAJPDIN-DTWKUNHWSA-N -1 3 359.377 3.027 20 0 FGADHM O=C(NC[C@H]1CCC[C@@H](C(F)(F)F)C1)c1sccc1-c1nn[n-]n1 ZINC000823175873 606554642 /nfs/dbraw/zinc/55/46/42/606554642.db2.gz NVVXPZWGAJPDIN-DTWKUNHWSA-N -1 3 359.377 3.027 20 0 FGADHM CCCN(CCc1cccc(F)c1)C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821099877 606561601 /nfs/dbraw/zinc/56/16/01/606561601.db2.gz QFNGBRAIDWAZRK-UHFFFAOYSA-N -1 3 367.428 3.030 20 0 FGADHM CCCN(CCc1cccc(F)c1)C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821099877 606561603 /nfs/dbraw/zinc/56/16/03/606561603.db2.gz QFNGBRAIDWAZRK-UHFFFAOYSA-N -1 3 367.428 3.030 20 0 FGADHM O=C(OCc1ccc(Br)cc1)c1cc(-c2nnn[n-]2)cs1 ZINC000823422421 606563583 /nfs/dbraw/zinc/56/35/83/606563583.db2.gz UXBCIUYXFCMCJM-UHFFFAOYSA-N -1 3 365.212 3.048 20 0 FGADHM O=C(OCc1ccc(Br)cc1)c1cc(-c2nn[n-]n2)cs1 ZINC000823422421 606563584 /nfs/dbraw/zinc/56/35/84/606563584.db2.gz UXBCIUYXFCMCJM-UHFFFAOYSA-N -1 3 365.212 3.048 20 0 FGADHM C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000820668159 606574208 /nfs/dbraw/zinc/57/42/08/606574208.db2.gz QPEGOWVGZCFTQT-FZKQIMNGSA-N -1 3 365.412 3.158 20 0 FGADHM C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000820668159 606574210 /nfs/dbraw/zinc/57/42/10/606574210.db2.gz QPEGOWVGZCFTQT-FZKQIMNGSA-N -1 3 365.412 3.158 20 0 FGADHM C[C@@H](NC(=O)Nc1ccc(F)cc1-c1nnn[n-]1)c1ccc(F)cc1F ZINC000821994726 606579830 /nfs/dbraw/zinc/57/98/30/606579830.db2.gz HTPYVSUYZZLJMC-MRVPVSSYSA-N -1 3 362.315 3.167 20 0 FGADHM C[C@@H](NC(=O)Nc1ccc(F)cc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC000821994726 606579831 /nfs/dbraw/zinc/57/98/31/606579831.db2.gz HTPYVSUYZZLJMC-MRVPVSSYSA-N -1 3 362.315 3.167 20 0 FGADHM C[C@H]1CCN(C(=O)Cc2cccc(-c3nnn[n-]3)c2)[C@@H]1c1cccc(F)c1 ZINC000820716282 606580747 /nfs/dbraw/zinc/58/07/47/606580747.db2.gz IGUGYFHSNLWPFZ-DJJJIMSYSA-N -1 3 365.412 3.158 20 0 FGADHM C[C@H]1CCN(C(=O)Cc2cccc(-c3nn[n-]n3)c2)[C@@H]1c1cccc(F)c1 ZINC000820716282 606580749 /nfs/dbraw/zinc/58/07/49/606580749.db2.gz IGUGYFHSNLWPFZ-DJJJIMSYSA-N -1 3 365.412 3.158 20 0 FGADHM Fc1cccc(OCc2ccc(-c3nnn[n-]3)cc2OC(F)F)c1F ZINC000822790938 606591502 /nfs/dbraw/zinc/59/15/02/606591502.db2.gz AOMUVKSTMJYCJC-UHFFFAOYSA-N -1 3 354.263 3.325 20 0 FGADHM Fc1cccc(OCc2ccc(-c3nn[n-]n3)cc2OC(F)F)c1F ZINC000822790938 606591504 /nfs/dbraw/zinc/59/15/04/606591504.db2.gz AOMUVKSTMJYCJC-UHFFFAOYSA-N -1 3 354.263 3.325 20 0 FGADHM COc1cccc([C@H](C)CC(=O)Nc2cc(-c3nnn[n-]3)ccc2C)c1 ZINC000821860261 606602764 /nfs/dbraw/zinc/60/27/64/606602764.db2.gz ZTHLHBAWLTZWGA-CYBMUJFWSA-N -1 3 351.410 3.316 20 0 FGADHM COc1cccc([C@H](C)CC(=O)Nc2cc(-c3nn[n-]n3)ccc2C)c1 ZINC000821860261 606602765 /nfs/dbraw/zinc/60/27/65/606602765.db2.gz ZTHLHBAWLTZWGA-CYBMUJFWSA-N -1 3 351.410 3.316 20 0 FGADHM CN(CC12CC3CC(CC(C3)C1)C2)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821596306 606606000 /nfs/dbraw/zinc/60/60/00/606606000.db2.gz GOJMGWCGCUWGAK-UHFFFAOYSA-N -1 3 351.454 3.155 20 0 FGADHM CN(CC12CC3CC(CC(C3)C1)C2)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821596306 606606002 /nfs/dbraw/zinc/60/60/02/606606002.db2.gz GOJMGWCGCUWGAK-UHFFFAOYSA-N -1 3 351.454 3.155 20 0 FGADHM O=C(Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1)C1CC(F)(F)C1 ZINC000823350711 606619464 /nfs/dbraw/zinc/61/94/64/606619464.db2.gz YDPWKECTHVMNQX-UHFFFAOYSA-N -1 3 372.335 3.038 20 0 FGADHM COc1ccc([C@@H](C)CC(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821777150 606626848 /nfs/dbraw/zinc/62/68/48/606626848.db2.gz BDDHXTRILNYGFD-AWEZNQCLSA-N -1 3 365.437 3.028 20 0 FGADHM COc1ccc([C@@H](C)CC(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821777150 606626850 /nfs/dbraw/zinc/62/68/50/606626850.db2.gz BDDHXTRILNYGFD-AWEZNQCLSA-N -1 3 365.437 3.028 20 0 FGADHM O=C1CCCc2ccc(NC(=S)Nc3ccccc3-c3nnn[n-]3)cc21 ZINC000823530310 606627042 /nfs/dbraw/zinc/62/70/42/606627042.db2.gz ITUUVTRJIWRIIW-UHFFFAOYSA-N -1 3 364.434 3.195 20 0 FGADHM O=C1CCCc2ccc(NC(=S)Nc3ccccc3-c3nn[n-]n3)cc21 ZINC000823530310 606627043 /nfs/dbraw/zinc/62/70/43/606627043.db2.gz ITUUVTRJIWRIIW-UHFFFAOYSA-N -1 3 364.434 3.195 20 0 FGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N1C[C@H]2CCCC[C@@H]2C1 ZINC000819975990 606631260 /nfs/dbraw/zinc/63/12/60/606631260.db2.gz GZKXRGCNTQYWLJ-CHWSQXEVSA-N -1 3 357.462 3.077 20 0 FGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N1C[C@H]2CCCC[C@@H]2C1 ZINC000819975990 606631261 /nfs/dbraw/zinc/63/12/61/606631261.db2.gz GZKXRGCNTQYWLJ-CHWSQXEVSA-N -1 3 357.462 3.077 20 0 FGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000819975989 606631302 /nfs/dbraw/zinc/63/13/02/606631302.db2.gz GZKXRGCNTQYWLJ-BETUJISGSA-N -1 3 357.462 3.077 20 0 FGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000819975989 606631303 /nfs/dbraw/zinc/63/13/03/606631303.db2.gz GZKXRGCNTQYWLJ-BETUJISGSA-N -1 3 357.462 3.077 20 0 FGADHM Cc1nc(CC(C)C)c(C(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000822437308 606668331 /nfs/dbraw/zinc/66/83/31/606668331.db2.gz YOHCRJLWOMFFAE-UHFFFAOYSA-N -1 3 370.482 3.102 20 0 FGADHM Cc1nc(CC(C)C)c(C(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000822437308 606668332 /nfs/dbraw/zinc/66/83/32/606668332.db2.gz YOHCRJLWOMFFAE-UHFFFAOYSA-N -1 3 370.482 3.102 20 0 FGADHM CC(C)Oc1ccc(NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1 ZINC000820170206 606671121 /nfs/dbraw/zinc/67/11/21/606671121.db2.gz UPPFFIITSQHDKP-UHFFFAOYSA-N -1 3 359.336 3.184 20 0 FGADHM CC(C)Oc1ccc(NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1 ZINC000820170206 606671122 /nfs/dbraw/zinc/67/11/22/606671122.db2.gz UPPFFIITSQHDKP-UHFFFAOYSA-N -1 3 359.336 3.184 20 0 FGADHM O=C(Nc1ccc(-c2cnco2)cc1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823299009 606672297 /nfs/dbraw/zinc/67/22/97/606672297.db2.gz COHQNBUJMIYPJX-UHFFFAOYSA-N -1 3 368.303 3.052 20 0 FGADHM O=C(Nc1ccc(-c2cnco2)cc1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823299009 606672298 /nfs/dbraw/zinc/67/22/98/606672298.db2.gz COHQNBUJMIYPJX-UHFFFAOYSA-N -1 3 368.303 3.052 20 0 FGADHM CC(C)CC[C@@H]1CCC[C@H]1NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820073914 606676742 /nfs/dbraw/zinc/67/67/42/606676742.db2.gz XALSTPZRSSSTLA-XHDPSFHLSA-N -1 3 363.412 3.480 20 0 FGADHM CC(C)CC[C@@H]1CCC[C@H]1NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820073914 606676743 /nfs/dbraw/zinc/67/67/43/606676743.db2.gz XALSTPZRSSSTLA-XHDPSFHLSA-N -1 3 363.412 3.480 20 0 FGADHM O=C(c1c(F)cc(-c2nnn[n-]2)cc1F)N1CCC2(CCCCC2)CC1 ZINC000823454315 606677406 /nfs/dbraw/zinc/67/74/06/606677406.db2.gz NGPKOAYYYSVJPT-UHFFFAOYSA-N -1 3 361.396 3.331 20 0 FGADHM O=C(c1c(F)cc(-c2nn[n-]n2)cc1F)N1CCC2(CCCCC2)CC1 ZINC000823454315 606677407 /nfs/dbraw/zinc/67/74/07/606677407.db2.gz NGPKOAYYYSVJPT-UHFFFAOYSA-N -1 3 361.396 3.331 20 0 FGADHM COc1c(F)ccc(F)c1C(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821698662 606685229 /nfs/dbraw/zinc/68/52/29/606685229.db2.gz TXVKBDPJEOOJSX-VIFPVBQESA-N -1 3 360.320 3.072 20 0 FGADHM COc1c(F)ccc(F)c1C(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821698662 606685230 /nfs/dbraw/zinc/68/52/30/606685230.db2.gz TXVKBDPJEOOJSX-VIFPVBQESA-N -1 3 360.320 3.072 20 0 FGADHM CCc1ccc(C(C)(C)NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1 ZINC000821475863 606686667 /nfs/dbraw/zinc/68/66/67/606686667.db2.gz BGKSDABHPAKHPT-UHFFFAOYSA-N -1 3 371.391 3.372 20 0 FGADHM CCc1ccc(C(C)(C)NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1 ZINC000821475863 606686668 /nfs/dbraw/zinc/68/66/68/606686668.db2.gz BGKSDABHPAKHPT-UHFFFAOYSA-N -1 3 371.391 3.372 20 0 FGADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N[C@@H](c1ccccc1F)C1CCCC1 ZINC000822631659 606693565 /nfs/dbraw/zinc/69/35/65/606693565.db2.gz DETQFZQHWRGWHG-QGZVFWFLSA-N -1 3 368.416 3.006 20 0 FGADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N[C@@H](c1ccccc1F)C1CCCC1 ZINC000822631659 606693566 /nfs/dbraw/zinc/69/35/66/606693566.db2.gz DETQFZQHWRGWHG-QGZVFWFLSA-N -1 3 368.416 3.006 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc(C)nc1C ZINC000821104813 606697486 /nfs/dbraw/zinc/69/74/86/606697486.db2.gz RRRPHMSFAZKWBY-UHFFFAOYSA-N -1 3 365.441 3.323 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc(C)nc1C ZINC000821104813 606697487 /nfs/dbraw/zinc/69/74/87/606697487.db2.gz RRRPHMSFAZKWBY-UHFFFAOYSA-N -1 3 365.441 3.323 20 0 FGADHM COCCC1(CNc2nc3ccccc3cc2-c2nnn[n-]2)CCCC1 ZINC000821687283 606721176 /nfs/dbraw/zinc/72/11/76/606721176.db2.gz WZVHEZMBJLUIRD-UHFFFAOYSA-N -1 3 352.442 3.424 20 0 FGADHM COCCC1(CNc2nc3ccccc3cc2-c2nn[n-]n2)CCCC1 ZINC000821687283 606721177 /nfs/dbraw/zinc/72/11/77/606721177.db2.gz WZVHEZMBJLUIRD-UHFFFAOYSA-N -1 3 352.442 3.424 20 0 FGADHM Cc1cc(C)n(-c2ccccc2CNc2ccc(F)cc2-c2nnn[n-]2)n1 ZINC000822197906 606723384 /nfs/dbraw/zinc/72/33/84/606723384.db2.gz UFCIJDFCPXMHEE-UHFFFAOYSA-N -1 3 363.400 3.420 20 0 FGADHM Cc1cc(C)n(-c2ccccc2CNc2ccc(F)cc2-c2nn[n-]n2)n1 ZINC000822197906 606723386 /nfs/dbraw/zinc/72/33/86/606723386.db2.gz UFCIJDFCPXMHEE-UHFFFAOYSA-N -1 3 363.400 3.420 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)c1cc(C(F)(F)F)ccc1F ZINC000823343783 606736506 /nfs/dbraw/zinc/73/65/06/606736506.db2.gz HCFOMFJTLFNAIU-UHFFFAOYSA-N -1 3 369.253 3.416 20 0 FGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)c1cc(C(F)(F)F)ccc1F ZINC000823343783 606736508 /nfs/dbraw/zinc/73/65/08/606736508.db2.gz HCFOMFJTLFNAIU-UHFFFAOYSA-N -1 3 369.253 3.416 20 0 FGADHM CC(C)Oc1ccc(COC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1 ZINC000820155677 606746918 /nfs/dbraw/zinc/74/69/18/606746918.db2.gz UTNJRGONUGZVOV-UHFFFAOYSA-N -1 3 374.347 3.289 20 0 FGADHM CC(C)Oc1ccc(COC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1 ZINC000820155677 606746919 /nfs/dbraw/zinc/74/69/19/606746919.db2.gz UTNJRGONUGZVOV-UHFFFAOYSA-N -1 3 374.347 3.289 20 0 FGADHM Cc1oc(NC(=O)[C@H](C)N2CCC(CC(C)C)CC2)c(-c2nnn[n-]2)c1C ZINC000822542031 606754422 /nfs/dbraw/zinc/75/44/22/606754422.db2.gz SRFPXQWNHPXJJF-ZDUSSCGKSA-N -1 3 374.489 3.162 20 0 FGADHM CC[C@H](OC1CCCCC1)C(=O)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000820939320 606767692 /nfs/dbraw/zinc/76/76/92/606767692.db2.gz SZIHNCZUYINRKS-INIZCTEOSA-N -1 3 362.405 3.177 20 0 FGADHM CC[C@H](OC1CCCCC1)C(=O)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000820939320 606767694 /nfs/dbraw/zinc/76/76/94/606767694.db2.gz SZIHNCZUYINRKS-INIZCTEOSA-N -1 3 362.405 3.177 20 0 FGADHM Clc1ccc(-c2nnn[n-]2)c(OCc2ccc(-n3cccn3)cc2)c1 ZINC000822567943 606779601 /nfs/dbraw/zinc/77/96/01/606779601.db2.gz JHLGLOFEXARJAY-UHFFFAOYSA-N -1 3 352.785 3.285 20 0 FGADHM Clc1ccc(-c2nn[n-]n2)c(OCc2ccc(-n3cccn3)cc2)c1 ZINC000822567943 606779604 /nfs/dbraw/zinc/77/96/04/606779604.db2.gz JHLGLOFEXARJAY-UHFFFAOYSA-N -1 3 352.785 3.285 20 0 FGADHM O=C(OCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)[C@@H]1CCSC1 ZINC000823418527 606798641 /nfs/dbraw/zinc/79/86/41/606798641.db2.gz RIZJOLORLYLZJH-OAHLLOKOSA-N -1 3 366.446 3.330 20 0 FGADHM O=C(OCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)[C@@H]1CCSC1 ZINC000823418527 606798642 /nfs/dbraw/zinc/79/86/42/606798642.db2.gz RIZJOLORLYLZJH-OAHLLOKOSA-N -1 3 366.446 3.330 20 0 FGADHM CN(CCOCc1ccccc1)c1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000821603976 606806881 /nfs/dbraw/zinc/80/68/81/606806881.db2.gz XJXHRCGGGDKEMM-UHFFFAOYSA-N -1 3 360.421 3.068 20 0 FGADHM CN(CCOCc1ccccc1)c1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000821603976 606806883 /nfs/dbraw/zinc/80/68/83/606806883.db2.gz XJXHRCGGGDKEMM-UHFFFAOYSA-N -1 3 360.421 3.068 20 0 FGADHM CCCC[C@H](NC(=O)CSc1ccc(-c2nnn[n-]2)cc1)C1CCC1 ZINC000821043024 606816904 /nfs/dbraw/zinc/81/69/04/606816904.db2.gz KSYGNFHAMGFIEA-INIZCTEOSA-N -1 3 359.499 3.434 20 0 FGADHM CCCC[C@H](NC(=O)CSc1ccc(-c2nn[n-]n2)cc1)C1CCC1 ZINC000821043024 606816906 /nfs/dbraw/zinc/81/69/06/606816906.db2.gz KSYGNFHAMGFIEA-INIZCTEOSA-N -1 3 359.499 3.434 20 0 FGADHM Cc1c2nc(NC(=O)Cc3cccc(-c4nnn[n-]4)c3)sc2ccc1F ZINC000822034814 606833281 /nfs/dbraw/zinc/83/32/81/606833281.db2.gz LTXMVSLQRMEZJS-UHFFFAOYSA-N -1 3 368.397 3.105 20 0 FGADHM Cc1c2nc(NC(=O)Cc3cccc(-c4nn[n-]n4)c3)sc2ccc1F ZINC000822034814 606833284 /nfs/dbraw/zinc/83/32/84/606833284.db2.gz LTXMVSLQRMEZJS-UHFFFAOYSA-N -1 3 368.397 3.105 20 0 FGADHM CN(CC(F)F)C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821595312 606833594 /nfs/dbraw/zinc/83/35/94/606833594.db2.gz SGCDMEOXSQDVDY-UHFFFAOYSA-N -1 3 374.351 3.388 20 0 FGADHM CN(CC(F)F)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821595312 606833596 /nfs/dbraw/zinc/83/35/96/606833596.db2.gz SGCDMEOXSQDVDY-UHFFFAOYSA-N -1 3 374.351 3.388 20 0 FGADHM Cc1cc(C(=O)CSCCCOc2cccc(-c3nnn[n-]3)c2)c(C)[nH]1 ZINC000822168862 606842927 /nfs/dbraw/zinc/84/29/27/606842927.db2.gz UBKOTFPOMKGPPQ-UHFFFAOYSA-N -1 3 371.466 3.197 20 0 FGADHM Cc1cc(C(=O)CSCCCOc2cccc(-c3nn[n-]n3)c2)c(C)[nH]1 ZINC000822168862 606842929 /nfs/dbraw/zinc/84/29/29/606842929.db2.gz UBKOTFPOMKGPPQ-UHFFFAOYSA-N -1 3 371.466 3.197 20 0 FGADHM C[C@H](Sc1ccc(-c2nnn[n-]2)cc1Cl)C(=O)NC1CCCC1 ZINC000820549606 606851064 /nfs/dbraw/zinc/85/10/64/606851064.db2.gz PKNWFRNJIWFTRE-VIFPVBQESA-N -1 3 351.863 3.060 20 0 FGADHM C[C@H](Sc1ccc(-c2nn[n-]n2)cc1Cl)C(=O)NC1CCCC1 ZINC000820549606 606851065 /nfs/dbraw/zinc/85/10/65/606851065.db2.gz PKNWFRNJIWFTRE-VIFPVBQESA-N -1 3 351.863 3.060 20 0 FGADHM C[C@@H]1CCCCN1C(=O)CSc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820703705 606851720 /nfs/dbraw/zinc/85/17/20/606851720.db2.gz JSRYNHMPDUSAGO-SNVBAGLBSA-N -1 3 351.863 3.013 20 0 FGADHM C[C@@H]1CCCCN1C(=O)CSc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820703705 606851721 /nfs/dbraw/zinc/85/17/21/606851721.db2.gz JSRYNHMPDUSAGO-SNVBAGLBSA-N -1 3 351.863 3.013 20 0 FGADHM c1ccc(N[C@H]2CCCN(c3c(-c4nnn[n-]4)cnc4ccccc43)C2)cc1 ZINC000823788340 606876510 /nfs/dbraw/zinc/87/65/10/606876510.db2.gz ZVUALRHBZVBDFC-INIZCTEOSA-N -1 3 371.448 3.496 20 0 FGADHM c1ccc(N[C@H]2CCCN(c3c(-c4nn[n-]n4)cnc4ccccc43)C2)cc1 ZINC000823788340 606876511 /nfs/dbraw/zinc/87/65/11/606876511.db2.gz ZVUALRHBZVBDFC-INIZCTEOSA-N -1 3 371.448 3.496 20 0 FGADHM O[C@H](CNc1ccc(F)cc1-c1nnn[n-]1)c1cc2ccccc2s1 ZINC000823691048 606878638 /nfs/dbraw/zinc/87/86/38/606878638.db2.gz ZOZVWXISXBDSPB-CQSZACIVSA-N -1 3 355.398 3.366 20 0 FGADHM O[C@H](CNc1ccc(F)cc1-c1nn[n-]n1)c1cc2ccccc2s1 ZINC000823691048 606878640 /nfs/dbraw/zinc/87/86/40/606878640.db2.gz ZOZVWXISXBDSPB-CQSZACIVSA-N -1 3 355.398 3.366 20 0 FGADHM CC(C)C[C@H]1CCCCN1C(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000820061410 606880488 /nfs/dbraw/zinc/88/04/88/606880488.db2.gz ADTHSNMRQNNORT-GDBMZVCRSA-N -1 3 357.458 3.061 20 0 FGADHM O=C(Nc1cc(Cl)ccc1NC1CC1)c1sccc1-c1nnn[n-]1 ZINC000823298966 606908414 /nfs/dbraw/zinc/90/84/14/606908414.db2.gz ATFBIVBWMPACKF-UHFFFAOYSA-N -1 3 360.830 3.408 20 0 FGADHM O=C(Nc1cc(Cl)ccc1NC1CC1)c1sccc1-c1nn[n-]n1 ZINC000823298966 606908416 /nfs/dbraw/zinc/90/84/16/606908416.db2.gz ATFBIVBWMPACKF-UHFFFAOYSA-N -1 3 360.830 3.408 20 0 FGADHM Cc1cc(C)c(CNc2ccc(C(F)(F)F)cc2-c2nnn[n-]2)c(=O)[nH]1 ZINC000822194158 606910650 /nfs/dbraw/zinc/91/06/50/606910650.db2.gz LESCHVUDMFVFKR-UHFFFAOYSA-N -1 3 364.331 3.215 20 0 FGADHM Cc1cc(C)c(CNc2ccc(C(F)(F)F)cc2-c2nn[n-]n2)c(=O)[nH]1 ZINC000822194158 606910651 /nfs/dbraw/zinc/91/06/51/606910651.db2.gz LESCHVUDMFVFKR-UHFFFAOYSA-N -1 3 364.331 3.215 20 0 FGADHM CCc1nnc(N[C@@H]2CCC[C@@H](C(F)(F)F)C2)c(-c2nnn[n-]2)c1CC ZINC000821528538 606918983 /nfs/dbraw/zinc/91/89/83/606918983.db2.gz OSQAHXAWJHGWKK-NXEZZACHSA-N -1 3 369.395 3.315 20 0 FGADHM CCc1nnc(N[C@@H]2CCC[C@@H](C(F)(F)F)C2)c(-c2nn[n-]n2)c1CC ZINC000821528538 606918985 /nfs/dbraw/zinc/91/89/85/606918985.db2.gz OSQAHXAWJHGWKK-NXEZZACHSA-N -1 3 369.395 3.315 20 0 FGADHM CC(C)CNC(=O)c1ccccc1NCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820098406 606926950 /nfs/dbraw/zinc/92/69/50/606926950.db2.gz YEKTWMHKJFMPEZ-UHFFFAOYSA-N -1 3 368.416 3.004 20 0 FGADHM CC(C)CNC(=O)c1ccccc1NCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820098406 606926951 /nfs/dbraw/zinc/92/69/51/606926951.db2.gz YEKTWMHKJFMPEZ-UHFFFAOYSA-N -1 3 368.416 3.004 20 0 FGADHM COCCCOc1ccccc1NCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000821688692 606929388 /nfs/dbraw/zinc/92/93/88/606929388.db2.gz WFLDFPZYBCJOIU-UHFFFAOYSA-N -1 3 357.389 3.033 20 0 FGADHM COCCCOc1ccccc1NCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821688692 606929390 /nfs/dbraw/zinc/92/93/90/606929390.db2.gz WFLDFPZYBCJOIU-UHFFFAOYSA-N -1 3 357.389 3.033 20 0 FGADHM O[C@H](CN(c1ccc(F)cc1)C1CCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823675097 606930716 /nfs/dbraw/zinc/93/07/16/606930716.db2.gz UOZGIQPKJNRDBT-LJQANCHMSA-N -1 3 367.428 3.488 20 0 FGADHM O[C@H](CN(c1ccc(F)cc1)C1CCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823675097 606930718 /nfs/dbraw/zinc/93/07/18/606930718.db2.gz UOZGIQPKJNRDBT-LJQANCHMSA-N -1 3 367.428 3.488 20 0 FGADHM CCc1nnc(SCc2cc(C)ccc2OC)c(-c2nnn[n-]2)c1CC ZINC000821547842 606946152 /nfs/dbraw/zinc/94/61/52/606946152.db2.gz DCVUMRNUJCDXJV-UHFFFAOYSA-N -1 3 370.482 3.391 20 0 FGADHM CCc1nnc(SCc2cc(C)ccc2OC)c(-c2nn[n-]n2)c1CC ZINC000821547842 606946153 /nfs/dbraw/zinc/94/61/53/606946153.db2.gz DCVUMRNUJCDXJV-UHFFFAOYSA-N -1 3 370.482 3.391 20 0 FGADHM C[C@@]1(CNc2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)CCCS1 ZINC000820623299 606946248 /nfs/dbraw/zinc/94/62/48/606946248.db2.gz LASFSBWBRWWQGN-INIZCTEOSA-N -1 3 362.409 3.391 20 0 FGADHM C[C@@]1(CNc2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)CCCS1 ZINC000820623299 606946249 /nfs/dbraw/zinc/94/62/49/606946249.db2.gz LASFSBWBRWWQGN-INIZCTEOSA-N -1 3 362.409 3.391 20 0 FGADHM Cc1ccc(CNc2ccc(F)cc2-c2nnn[n-]2)c(O[C@@H]2CCOC2)c1 ZINC000822238846 606947795 /nfs/dbraw/zinc/94/77/95/606947795.db2.gz XJOHXKWEPVJQSH-OAHLLOKOSA-N -1 3 369.400 3.094 20 0 FGADHM Cc1ccc(CNc2ccc(F)cc2-c2nn[n-]n2)c(O[C@@H]2CCOC2)c1 ZINC000822238846 606947797 /nfs/dbraw/zinc/94/77/97/606947797.db2.gz XJOHXKWEPVJQSH-OAHLLOKOSA-N -1 3 369.400 3.094 20 0 FGADHM CC[C@@]1(C)CCN(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(C)C)C1 ZINC000820951290 606953227 /nfs/dbraw/zinc/95/32/27/606953227.db2.gz XQNCCZAHBNHREZ-SFHVURJKSA-N -1 3 358.446 3.308 20 0 FGADHM CC[C@@]1(C)CCN(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(C)C)C1 ZINC000820951290 606953229 /nfs/dbraw/zinc/95/32/29/606953229.db2.gz XQNCCZAHBNHREZ-SFHVURJKSA-N -1 3 358.446 3.308 20 0 FGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)Nc1cc(F)cc(Cl)c1 ZINC000823249804 606955935 /nfs/dbraw/zinc/95/59/35/606955935.db2.gz KFIWHPXKNJAIKF-UHFFFAOYSA-N -1 3 364.743 3.120 20 0 FGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)Nc1cc(F)cc(Cl)c1 ZINC000823249804 606955936 /nfs/dbraw/zinc/95/59/36/606955936.db2.gz KFIWHPXKNJAIKF-UHFFFAOYSA-N -1 3 364.743 3.120 20 0 FGADHM CN(C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccccc1-c1nnn[n-]1 ZINC000821569654 606970966 /nfs/dbraw/zinc/97/09/66/606970966.db2.gz RFUNOBNSCLLMJE-MNOVXSKESA-N -1 3 353.348 3.198 20 0 FGADHM CN(C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccccc1-c1nn[n-]n1 ZINC000821569654 606970968 /nfs/dbraw/zinc/97/09/68/606970968.db2.gz RFUNOBNSCLLMJE-MNOVXSKESA-N -1 3 353.348 3.198 20 0 FGADHM Fc1ccc(CN2CCSC[C@@H]2c2ccccc2)cc1-c1nnn[n-]1 ZINC000822771953 606975055 /nfs/dbraw/zinc/97/50/55/606975055.db2.gz MTENKNOGNDTILI-QGZVFWFLSA-N -1 3 355.442 3.296 20 0 FGADHM Cc1cccc(C)c1CCNC(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000822293891 606980937 /nfs/dbraw/zinc/98/09/37/606980937.db2.gz QFTBMOPSEZOLDR-UHFFFAOYSA-N -1 3 352.467 3.013 20 0 FGADHM Cc1cccc(C)c1CCNC(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000822293891 606980938 /nfs/dbraw/zinc/98/09/38/606980938.db2.gz QFTBMOPSEZOLDR-UHFFFAOYSA-N -1 3 352.467 3.013 20 0 FGADHM COC(C)(C)CN(C)C(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000821672296 606987396 /nfs/dbraw/zinc/98/73/96/606987396.db2.gz FSLOENWJADNNNU-UHFFFAOYSA-N -1 3 365.437 3.031 20 0 FGADHM COC(C)(C)CN(C)C(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000821672296 606987397 /nfs/dbraw/zinc/98/73/97/606987397.db2.gz FSLOENWJADNNNU-UHFFFAOYSA-N -1 3 365.437 3.031 20 0 FGADHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)NCCC1CCCCC1 ZINC000819997095 606992689 /nfs/dbraw/zinc/99/26/89/606992689.db2.gz QCERCYBDVLSDCF-UHFFFAOYSA-N -1 3 357.458 3.111 20 0 FGADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCC1CCCCC1 ZINC000819997095 606992691 /nfs/dbraw/zinc/99/26/91/606992691.db2.gz QCERCYBDVLSDCF-UHFFFAOYSA-N -1 3 357.458 3.111 20 0 FGADHM Cc1cccc(C2(C(=O)OCc3ccc(F)c(-c4nnn[n-]4)c3)CC2)c1 ZINC000822299937 606997433 /nfs/dbraw/zinc/99/74/33/606997433.db2.gz ZQJZKNQAHRHWQZ-UHFFFAOYSA-N -1 3 352.369 3.089 20 0 FGADHM Cc1cccc(C2(C(=O)OCc3ccc(F)c(-c4nn[n-]n4)c3)CC2)c1 ZINC000822299937 606997434 /nfs/dbraw/zinc/99/74/34/606997434.db2.gz ZQJZKNQAHRHWQZ-UHFFFAOYSA-N -1 3 352.369 3.089 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)c1cnc(-c2ccco2)s1 ZINC000823426206 606999732 /nfs/dbraw/zinc/99/97/32/606999732.db2.gz CXZGNVJRUUWSJM-UHFFFAOYSA-N -1 3 371.353 3.079 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)c1cnc(-c2ccco2)s1 ZINC000823426206 606999734 /nfs/dbraw/zinc/99/97/34/606999734.db2.gz CXZGNVJRUUWSJM-UHFFFAOYSA-N -1 3 371.353 3.079 20 0 FGADHM CC[C@@H](Cc1ccccc1)C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820915291 607000462 /nfs/dbraw/zinc/00/04/62/607000462.db2.gz UZCYGMLMCYXNFJ-HNNXBMFYSA-N -1 3 354.385 3.318 20 0 FGADHM CC[C@@H](Cc1ccccc1)C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820915291 607000463 /nfs/dbraw/zinc/00/04/63/607000463.db2.gz UZCYGMLMCYXNFJ-HNNXBMFYSA-N -1 3 354.385 3.318 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)[C@H]1C[C@H]1c1cccc(F)c1F ZINC000823422590 607002483 /nfs/dbraw/zinc/00/24/83/607002483.db2.gz XLFMWEGWKJOAAX-RYUDHWBXSA-N -1 3 374.322 3.131 20 0 FGADHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)[C@H]1C[C@H]1c1cccc(F)c1F ZINC000823422590 607002485 /nfs/dbraw/zinc/00/24/85/607002485.db2.gz XLFMWEGWKJOAAX-RYUDHWBXSA-N -1 3 374.322 3.131 20 0 FGADHM c1ccc(CCc2noc(CSc3cccc(-c4nnn[n-]4)c3)n2)cc1 ZINC000823780767 607014308 /nfs/dbraw/zinc/01/43/08/607014308.db2.gz VTVPHRVTBZNDMC-UHFFFAOYSA-N -1 3 364.434 3.327 20 0 FGADHM c1ccc(CCc2noc(CSc3cccc(-c4nn[n-]n4)c3)n2)cc1 ZINC000823780767 607014310 /nfs/dbraw/zinc/01/43/10/607014310.db2.gz VTVPHRVTBZNDMC-UHFFFAOYSA-N -1 3 364.434 3.327 20 0 FGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C[C@H](C)c1ccncc1 ZINC000820219921 607018199 /nfs/dbraw/zinc/01/81/99/607018199.db2.gz LKDMJAXQNIHKOX-HNNXBMFYSA-N -1 3 364.453 3.193 20 0 FGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C[C@H](C)c1ccncc1 ZINC000820219921 607018201 /nfs/dbraw/zinc/01/82/01/607018201.db2.gz LKDMJAXQNIHKOX-HNNXBMFYSA-N -1 3 364.453 3.193 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1OCc1nnc(-c2cccc(Cl)c2)o1 ZINC000822222656 607028270 /nfs/dbraw/zinc/02/82/70/607028270.db2.gz OXUIHNUUKPQVAQ-UHFFFAOYSA-N -1 3 368.784 3.458 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1OCc1nnc(-c2cccc(Cl)c2)o1 ZINC000822222656 607028273 /nfs/dbraw/zinc/02/82/73/607028273.db2.gz OXUIHNUUKPQVAQ-UHFFFAOYSA-N -1 3 368.784 3.458 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)cc1OCC(=O)N[C@@H](C)c1ccccc1Cl ZINC000822221452 607031667 /nfs/dbraw/zinc/03/16/67/607031667.db2.gz PEYPAWMFEBOXIR-LBPRGKRZSA-N -1 3 371.828 3.085 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)cc1OCC(=O)N[C@@H](C)c1ccccc1Cl ZINC000822221452 607031668 /nfs/dbraw/zinc/03/16/68/607031668.db2.gz PEYPAWMFEBOXIR-LBPRGKRZSA-N -1 3 371.828 3.085 20 0 FGADHM O[C@@]12CCCC[C@@H]1CN(c1ccc(C(F)(F)F)cc1-c1nnn[n-]1)CC2 ZINC000823697846 607032764 /nfs/dbraw/zinc/03/27/64/607032764.db2.gz NNYMEDNLKRGOES-MLGOLLRUSA-N -1 3 367.375 3.017 20 0 FGADHM O[C@@]12CCCC[C@@H]1CN(c1ccc(C(F)(F)F)cc1-c1nn[n-]n1)CC2 ZINC000823697846 607032766 /nfs/dbraw/zinc/03/27/66/607032766.db2.gz NNYMEDNLKRGOES-MLGOLLRUSA-N -1 3 367.375 3.017 20 0 FGADHM Fc1ccc(-c2nnn[n-]2)c(CSc2nccc(C(F)(F)F)n2)c1 ZINC000822757618 607039719 /nfs/dbraw/zinc/03/97/19/607039719.db2.gz ADOJNIOKPIIMTF-UHFFFAOYSA-N -1 3 356.308 3.107 20 0 FGADHM Fc1ccc(-c2nn[n-]n2)c(CSc2nccc(C(F)(F)F)n2)c1 ZINC000822757618 607039721 /nfs/dbraw/zinc/03/97/21/607039721.db2.gz ADOJNIOKPIIMTF-UHFFFAOYSA-N -1 3 356.308 3.107 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H]1CCc2ccccc21 ZINC000821118466 607042650 /nfs/dbraw/zinc/04/26/50/607042650.db2.gz NMLTVKNXPPEBIA-INIZCTEOSA-N -1 3 362.437 3.357 20 0 FGADHM Cc1cccc(C)c1CNC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000822294152 607049887 /nfs/dbraw/zinc/04/98/87/607049887.db2.gz SOSCADQKGLHWQP-AWEZNQCLSA-N -1 3 350.426 3.044 20 0 FGADHM Cc1cccc(C)c1CNC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000822294152 607049889 /nfs/dbraw/zinc/04/98/89/607049889.db2.gz SOSCADQKGLHWQP-AWEZNQCLSA-N -1 3 350.426 3.044 20 0 FGADHM CCS[C@@H](C)c1noc(CN(C)[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000821449295 607068137 /nfs/dbraw/zinc/06/81/37/607068137.db2.gz RPYHDLMXDXZZPR-RYUDHWBXSA-N -1 3 373.486 3.257 20 0 FGADHM CCS[C@@H](C)c1noc(CN(C)[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000821449295 607068138 /nfs/dbraw/zinc/06/81/38/607068138.db2.gz RPYHDLMXDXZZPR-RYUDHWBXSA-N -1 3 373.486 3.257 20 0 FGADHM CC(C)(Oc1ccc(F)cc1)C(=O)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000820005928 607073603 /nfs/dbraw/zinc/07/36/03/607073603.db2.gz ZGKHYPAUHLCQOB-UHFFFAOYSA-N -1 3 374.347 3.046 20 0 FGADHM CC(C)(Oc1ccc(F)cc1)C(=O)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000820005928 607073606 /nfs/dbraw/zinc/07/36/06/607073606.db2.gz ZGKHYPAUHLCQOB-UHFFFAOYSA-N -1 3 374.347 3.046 20 0 FGADHM Cc1ccccc1OCCCC(=O)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000822366543 607077438 /nfs/dbraw/zinc/07/74/38/607077438.db2.gz MOFHMGGCJMHOOK-UHFFFAOYSA-N -1 3 370.384 3.217 20 0 FGADHM Cc1ccccc1OCCCC(=O)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000822366543 607077440 /nfs/dbraw/zinc/07/74/40/607077440.db2.gz MOFHMGGCJMHOOK-UHFFFAOYSA-N -1 3 370.384 3.217 20 0 FGADHM O=C(CCCOc1ccc(F)cc1)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000822959299 607077864 /nfs/dbraw/zinc/07/78/64/607077864.db2.gz XLMAAWMBTCVYES-UHFFFAOYSA-N -1 3 374.347 3.047 20 0 FGADHM O=C(CCCOc1ccc(F)cc1)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000822959299 607077866 /nfs/dbraw/zinc/07/78/66/607077866.db2.gz XLMAAWMBTCVYES-UHFFFAOYSA-N -1 3 374.347 3.047 20 0 FGADHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)c1cc(F)c(F)cc1Cl ZINC000823414331 607077915 /nfs/dbraw/zinc/07/79/15/607077915.db2.gz USXYWSADQPFFOO-UHFFFAOYSA-N -1 3 368.702 3.294 20 0 FGADHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)c1cc(F)c(F)cc1Cl ZINC000823414331 607077917 /nfs/dbraw/zinc/07/79/17/607077917.db2.gz USXYWSADQPFFOO-UHFFFAOYSA-N -1 3 368.702 3.294 20 0 FGADHM Cc1cc(Cl)ncc1NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822201898 607080004 /nfs/dbraw/zinc/08/00/04/607080004.db2.gz AQLVQOJYZOWEHK-JTQLQIEISA-N -1 3 357.805 3.106 20 0 FGADHM Cc1cc(Cl)ncc1NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822201898 607080005 /nfs/dbraw/zinc/08/00/05/607080005.db2.gz AQLVQOJYZOWEHK-JTQLQIEISA-N -1 3 357.805 3.106 20 0 FGADHM COc1cccc([C@@H](C)CC(=O)OCc2cc(F)ccc2-c2nnn[n-]2)c1 ZINC000821860242 607085479 /nfs/dbraw/zinc/08/54/79/607085479.db2.gz ZDDCNRHFIUJDDG-LBPRGKRZSA-N -1 3 370.384 3.251 20 0 FGADHM COc1cccc([C@@H](C)CC(=O)OCc2cc(F)ccc2-c2nn[n-]n2)c1 ZINC000821860242 607085482 /nfs/dbraw/zinc/08/54/82/607085482.db2.gz ZDDCNRHFIUJDDG-LBPRGKRZSA-N -1 3 370.384 3.251 20 0 FGADHM Cc1c([C@@H](C)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)nnn1-c1ccccc1 ZINC000822020684 607088718 /nfs/dbraw/zinc/08/87/18/607088718.db2.gz GSDZNGIDLNQNTE-UONOGXRCSA-N -1 3 374.452 3.168 20 0 FGADHM CCC(=O)c1ccc(OC(=O)C=Cc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000820841886 607093689 /nfs/dbraw/zinc/09/36/89/607093689.db2.gz HBQIWORJQVWALL-CSKARUKUSA-N -1 3 366.352 3.217 20 0 FGADHM CCC(=O)c1ccc(OC(=O)C=Cc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000820841886 607093690 /nfs/dbraw/zinc/09/36/90/607093690.db2.gz HBQIWORJQVWALL-CSKARUKUSA-N -1 3 366.352 3.217 20 0 FGADHM Cc1ccc(N(C)C(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)c(C)c1 ZINC000822241232 607097333 /nfs/dbraw/zinc/09/73/33/607097333.db2.gz PAHNVQYUELVJQO-UHFFFAOYSA-N -1 3 365.437 3.304 20 0 FGADHM Cc1ccc(N(C)C(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)c(C)c1 ZINC000822241232 607097335 /nfs/dbraw/zinc/09/73/35/607097335.db2.gz PAHNVQYUELVJQO-UHFFFAOYSA-N -1 3 365.437 3.304 20 0 FGADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cccc2cccnc21 ZINC000821304932 607099889 /nfs/dbraw/zinc/09/98/89/607099889.db2.gz UOSAGQGPDHTVRM-UHFFFAOYSA-N -1 3 359.393 3.099 20 0 FGADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)C/C=C/c1ccc(F)cc1 ZINC000821293350 607100172 /nfs/dbraw/zinc/10/01/72/607100172.db2.gz KKTRYBSKJGTCAP-ONEGZZNKSA-N -1 3 366.400 3.480 20 0 FGADHM O=C1OC(c2ccc(-c3nnn[n-]3)cc2)=NC1=Cc1ccc(F)cc1Cl ZINC000823546387 607121705 /nfs/dbraw/zinc/12/17/05/607121705.db2.gz CAPYCHVFOSJRMS-VGOFMYFVSA-N -1 3 369.743 3.004 20 0 FGADHM O=C1OC(c2ccc(-c3nn[n-]n3)cc2)=NC1=Cc1ccc(F)cc1Cl ZINC000823546387 607121706 /nfs/dbraw/zinc/12/17/06/607121706.db2.gz CAPYCHVFOSJRMS-VGOFMYFVSA-N -1 3 369.743 3.004 20 0 FGADHM CCc1cccc(C)c1NC(=O)CNc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821492745 607125417 /nfs/dbraw/zinc/12/54/17/607125417.db2.gz VUXDBZYOPVAPEB-UHFFFAOYSA-N -1 3 370.844 3.442 20 0 FGADHM c1ccc2c(c1)nc(N[C@@H]1CCOC3(CCCC3)C1)cc2-c1nnn[n-]1 ZINC000823791655 607130727 /nfs/dbraw/zinc/13/07/27/607130727.db2.gz HFDXMFMWZPWGIA-CYBMUJFWSA-N -1 3 350.426 3.319 20 0 FGADHM c1ccc2c(c1)nc(N[C@@H]1CCOC3(CCCC3)C1)cc2-c1nn[n-]n1 ZINC000823791655 607130729 /nfs/dbraw/zinc/13/07/29/607130729.db2.gz HFDXMFMWZPWGIA-CYBMUJFWSA-N -1 3 350.426 3.319 20 0 FGADHM Fc1ccccc1-c1cnc(COc2ccc(-c3nnn[n-]3)cc2F)o1 ZINC000822748393 607138571 /nfs/dbraw/zinc/13/85/71/607138571.db2.gz WWJOLOGCEVOLQL-UHFFFAOYSA-N -1 3 355.304 3.379 20 0 FGADHM Fc1ccccc1-c1cnc(COc2ccc(-c3nn[n-]n3)cc2F)o1 ZINC000822748393 607138573 /nfs/dbraw/zinc/13/85/73/607138573.db2.gz WWJOLOGCEVOLQL-UHFFFAOYSA-N -1 3 355.304 3.379 20 0 FGADHM Cc1cc(NC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cnc1Cl ZINC000822208584 607139363 /nfs/dbraw/zinc/13/93/63/607139363.db2.gz YRGWNFBDKYVFDV-SNVBAGLBSA-N -1 3 357.805 3.106 20 0 FGADHM Cc1cc(NC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cnc1Cl ZINC000822208584 607139365 /nfs/dbraw/zinc/13/93/65/607139365.db2.gz YRGWNFBDKYVFDV-SNVBAGLBSA-N -1 3 357.805 3.106 20 0 FGADHM Cc1cc(C(=O)Nc2ccccc2-c2nnn[n-]2)c(Br)s1 ZINC000822175969 607147274 /nfs/dbraw/zinc/14/72/74/607147274.db2.gz CLMCNHUYANRTGS-UHFFFAOYSA-N -1 3 364.228 3.251 20 0 FGADHM Cc1cc(C(=O)Nc2ccccc2-c2nn[n-]n2)c(Br)s1 ZINC000822175969 607147276 /nfs/dbraw/zinc/14/72/76/607147276.db2.gz CLMCNHUYANRTGS-UHFFFAOYSA-N -1 3 364.228 3.251 20 0 FGADHM CCc1oc(C(=O)Oc2c(Cl)cc(-c3nnn[n-]3)cc2OC)cc1C ZINC000821563747 607150848 /nfs/dbraw/zinc/15/08/48/607150848.db2.gz DBQGRHMDRAULQE-UHFFFAOYSA-N -1 3 362.773 3.212 20 0 FGADHM CCc1oc(C(=O)Oc2c(Cl)cc(-c3nn[n-]n3)cc2OC)cc1C ZINC000821563747 607150849 /nfs/dbraw/zinc/15/08/49/607150849.db2.gz DBQGRHMDRAULQE-UHFFFAOYSA-N -1 3 362.773 3.212 20 0 FGADHM CCO[C@@H](CC(=O)N(CC)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000821351281 607153701 /nfs/dbraw/zinc/15/37/01/607153701.db2.gz OIIUJLAPIPBIDA-YOEHRIQHSA-N -1 3 359.474 3.227 20 0 FGADHM CCO[C@@H](CC(=O)N(CC)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000821351281 607153702 /nfs/dbraw/zinc/15/37/02/607153702.db2.gz OIIUJLAPIPBIDA-YOEHRIQHSA-N -1 3 359.474 3.227 20 0 FGADHM CCO[C@H](CC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C)C(C)C ZINC000821351160 607156802 /nfs/dbraw/zinc/15/68/02/607156802.db2.gz MHDIZRYONJJOGX-MRXNPFEDSA-N -1 3 361.446 3.044 20 0 FGADHM CCO[C@H](CC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C)C(C)C ZINC000821351160 607156804 /nfs/dbraw/zinc/15/68/04/607156804.db2.gz MHDIZRYONJJOGX-MRXNPFEDSA-N -1 3 361.446 3.044 20 0 FGADHM Cc1ccccc1[C@@H](C)OC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000822345129 607158456 /nfs/dbraw/zinc/15/84/56/607158456.db2.gz FMAYKHWDBCVQCO-ZIAGYGMSSA-N -1 3 352.394 3.247 20 0 FGADHM Cc1ccccc1[C@@H](C)OC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000822345129 607158458 /nfs/dbraw/zinc/15/84/58/607158458.db2.gz FMAYKHWDBCVQCO-ZIAGYGMSSA-N -1 3 352.394 3.247 20 0 FGADHM O=C(c1cccc(-c2nnn[n-]2)c1)N1CCC[C@@H]1CCCc1ccccc1 ZINC000823487679 607165861 /nfs/dbraw/zinc/16/58/61/607165861.db2.gz FULRVSFDGCLSMC-IBGZPJMESA-N -1 3 361.449 3.494 20 0 FGADHM O=C(c1cccc(-c2nn[n-]n2)c1)N1CCC[C@@H]1CCCc1ccccc1 ZINC000823487679 607165863 /nfs/dbraw/zinc/16/58/63/607165863.db2.gz FULRVSFDGCLSMC-IBGZPJMESA-N -1 3 361.449 3.494 20 0 FGADHM Fc1cc(-c2nnn[n-]2)ccc1OCc1nnc(-c2ccc(Cl)cc2)o1 ZINC000822748368 607173063 /nfs/dbraw/zinc/17/30/63/607173063.db2.gz WCIDYYVNEGXXQT-UHFFFAOYSA-N -1 3 372.747 3.288 20 0 FGADHM Fc1cc(-c2nn[n-]n2)ccc1OCc1nnc(-c2ccc(Cl)cc2)o1 ZINC000822748368 607173064 /nfs/dbraw/zinc/17/30/64/607173064.db2.gz WCIDYYVNEGXXQT-UHFFFAOYSA-N -1 3 372.747 3.288 20 0 FGADHM COc1cccc([C@@H]2C[C@@H]2C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000821864299 607190578 /nfs/dbraw/zinc/19/05/78/607190578.db2.gz WDADGEGSLOHMHN-KBPBESRZSA-N -1 3 369.812 3.271 20 0 FGADHM COc1cccc([C@@H]2C[C@@H]2C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000821864299 607190579 /nfs/dbraw/zinc/19/05/79/607190579.db2.gz WDADGEGSLOHMHN-KBPBESRZSA-N -1 3 369.812 3.271 20 0 FGADHM Cc1cc2c(cc1C)O[C@H](C(=O)Nc1ccc(-c3nnn[n-]3)cc1Cl)C2 ZINC000822213054 607190926 /nfs/dbraw/zinc/19/09/26/607190926.db2.gz SDWVGUZQKYXDOV-INIZCTEOSA-N -1 3 369.812 3.079 20 0 FGADHM Cc1cc2c(cc1C)O[C@H](C(=O)Nc1ccc(-c3nn[n-]n3)cc1Cl)C2 ZINC000822213054 607190927 /nfs/dbraw/zinc/19/09/27/607190927.db2.gz SDWVGUZQKYXDOV-INIZCTEOSA-N -1 3 369.812 3.079 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)[C@@H]1CCOc2ccccc21 ZINC000823313865 607191325 /nfs/dbraw/zinc/19/13/25/607191325.db2.gz KPGRKMXGTUJYPG-GFCCVEGCSA-N -1 3 355.785 3.025 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)[C@@H]1CCOc2ccccc21 ZINC000823313865 607191326 /nfs/dbraw/zinc/19/13/26/607191326.db2.gz KPGRKMXGTUJYPG-GFCCVEGCSA-N -1 3 355.785 3.025 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N[C@H]1CCCc2occc21 ZINC000823318856 607196008 /nfs/dbraw/zinc/19/60/08/607196008.db2.gz LXDDSDISARDAAB-LBPRGKRZSA-N -1 3 358.789 3.312 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N[C@H]1CCCc2occc21 ZINC000823318856 607196009 /nfs/dbraw/zinc/19/60/09/607196009.db2.gz LXDDSDISARDAAB-LBPRGKRZSA-N -1 3 358.789 3.312 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N[C@H]1CCc2c1cccc2F ZINC000823319335 607196026 /nfs/dbraw/zinc/19/60/26/607196026.db2.gz SKIMBLPCIKTNPD-AWEZNQCLSA-N -1 3 372.791 3.468 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N[C@H]1CCc2c1cccc2F ZINC000823319335 607196027 /nfs/dbraw/zinc/19/60/27/607196027.db2.gz SKIMBLPCIKTNPD-AWEZNQCLSA-N -1 3 372.791 3.468 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N[C@H]1CCc2cc(F)ccc21 ZINC000823318328 607196089 /nfs/dbraw/zinc/19/60/89/607196089.db2.gz BZVNPGLMJGNVMT-AWEZNQCLSA-N -1 3 372.791 3.468 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N[C@H]1CCc2cc(F)ccc21 ZINC000823318328 607196090 /nfs/dbraw/zinc/19/60/90/607196090.db2.gz BZVNPGLMJGNVMT-AWEZNQCLSA-N -1 3 372.791 3.468 20 0 FGADHM O=C(NCc1ccc(Cl)o1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823250024 607202622 /nfs/dbraw/zinc/20/26/22/607202622.db2.gz PONWQMVCUIKUQL-UHFFFAOYSA-N -1 3 353.169 3.088 20 0 FGADHM O=C(NCc1ccc(Cl)o1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823250024 607202623 /nfs/dbraw/zinc/20/26/23/607202623.db2.gz PONWQMVCUIKUQL-UHFFFAOYSA-N -1 3 353.169 3.088 20 0 FGADHM CN(Cc1cccc(F)c1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821613380 607203453 /nfs/dbraw/zinc/20/34/53/607203453.db2.gz LCISEICKLADAJH-UHFFFAOYSA-N -1 3 360.780 3.323 20 0 FGADHM CN(Cc1cccc(F)c1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821613380 607203454 /nfs/dbraw/zinc/20/34/54/607203454.db2.gz LCISEICKLADAJH-UHFFFAOYSA-N -1 3 360.780 3.323 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CCCC[C@H](C)C(C)=O ZINC000821117892 607234277 /nfs/dbraw/zinc/23/42/77/607234277.db2.gz COTIBITUWBBGDX-ZDUSSCGKSA-N -1 3 372.473 3.413 20 0 FGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)c1ccc(F)c(Cl)c1 ZINC000819976119 607237215 /nfs/dbraw/zinc/23/72/15/607237215.db2.gz MWUBAICTXOZNDB-UHFFFAOYSA-N -1 3 362.796 3.468 20 0 FGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)c1ccc(F)c(Cl)c1 ZINC000819976119 607237216 /nfs/dbraw/zinc/23/72/16/607237216.db2.gz MWUBAICTXOZNDB-UHFFFAOYSA-N -1 3 362.796 3.468 20 0 FGADHM COc1ccc(C=CC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000821786900 607240721 /nfs/dbraw/zinc/24/07/21/607240721.db2.gz LDDNGKQCGZCUPS-RUDMXATFSA-N -1 3 355.785 3.181 20 0 FGADHM COc1ccc(C=CC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000821786900 607240722 /nfs/dbraw/zinc/24/07/22/607240722.db2.gz LDDNGKQCGZCUPS-RUDMXATFSA-N -1 3 355.785 3.181 20 0 FGADHM Cc1cccc2c(CC(=O)Nc3ccc(-c4nnn[n-]4)cc3Cl)c[nH]c21 ZINC000822332779 607241383 /nfs/dbraw/zinc/24/13/83/607241383.db2.gz SROZLHQNVHKMRX-UHFFFAOYSA-N -1 3 366.812 3.491 20 0 FGADHM Cc1cccc2c(CC(=O)Nc3ccc(-c4nn[n-]n4)cc3Cl)c[nH]c21 ZINC000822332779 607241384 /nfs/dbraw/zinc/24/13/84/607241384.db2.gz SROZLHQNVHKMRX-UHFFFAOYSA-N -1 3 366.812 3.491 20 0 FGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1c(F)cc(F)cc1F ZINC000823319326 607243328 /nfs/dbraw/zinc/24/33/28/607243328.db2.gz SENADQWAEMUQAU-UHFFFAOYSA-N -1 3 353.691 3.190 20 0 FGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1c(F)cc(F)cc1F ZINC000823319326 607243329 /nfs/dbraw/zinc/24/33/29/607243329.db2.gz SENADQWAEMUQAU-UHFFFAOYSA-N -1 3 353.691 3.190 20 0 FGADHM Cc1ccc2[nH]cc(CCC(=O)Oc3ccc(-c4nnn[n-]4)cc3F)c2c1 ZINC000822275393 607250315 /nfs/dbraw/zinc/25/03/15/607250315.db2.gz SRSUUYWKHPSDAJ-UHFFFAOYSA-N -1 3 365.368 3.334 20 0 FGADHM Cc1ccc2[nH]cc(CCC(=O)Oc3ccc(-c4nn[n-]n4)cc3F)c2c1 ZINC000822275393 607250316 /nfs/dbraw/zinc/25/03/16/607250316.db2.gz SRSUUYWKHPSDAJ-UHFFFAOYSA-N -1 3 365.368 3.334 20 0 FGADHM Cc1c(C(=O)Oc2ccc(-c3nnn[n-]3)cc2F)sc2nccc(C)c12 ZINC000822379045 607250441 /nfs/dbraw/zinc/25/04/41/607250441.db2.gz JGSUZXPLDOGGJP-UHFFFAOYSA-N -1 3 369.381 3.452 20 0 FGADHM Cc1c(C(=O)Oc2ccc(-c3nn[n-]n3)cc2F)sc2nccc(C)c12 ZINC000822379045 607250442 /nfs/dbraw/zinc/25/04/42/607250442.db2.gz JGSUZXPLDOGGJP-UHFFFAOYSA-N -1 3 369.381 3.452 20 0 FGADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)C1(c2cccc(F)c2)CCC1 ZINC000823451098 607251128 /nfs/dbraw/zinc/25/11/28/607251128.db2.gz VCUOBECVFSATHX-UHFFFAOYSA-N -1 3 356.332 3.172 20 0 FGADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)C1(c2cccc(F)c2)CCC1 ZINC000823451098 607251129 /nfs/dbraw/zinc/25/11/29/607251129.db2.gz VCUOBECVFSATHX-UHFFFAOYSA-N -1 3 356.332 3.172 20 0 FGADHM COc1ccc(NC(=S)Nc2cccc(-c3nnn[n-]3)c2C)cc1F ZINC000821835267 607251991 /nfs/dbraw/zinc/25/19/91/607251991.db2.gz GMIOCJFQMQAITP-UHFFFAOYSA-N -1 3 358.402 3.132 20 0 FGADHM COc1ccc(NC(=S)Nc2cccc(-c3nn[n-]n3)c2C)cc1F ZINC000821835267 607251992 /nfs/dbraw/zinc/25/19/92/607251992.db2.gz GMIOCJFQMQAITP-UHFFFAOYSA-N -1 3 358.402 3.132 20 0 FGADHM COc1cccc([C@@H](C)CC(=O)N(C)c2ccccc2-c2nnn[n-]2)c1 ZINC000826214751 607788523 /nfs/dbraw/zinc/78/85/23/607788523.db2.gz WADHOGHIIRVKHN-ZDUSSCGKSA-N -1 3 351.410 3.032 20 0 FGADHM COc1cccc([C@@H](C)CC(=O)N(C)c2ccccc2-c2nn[n-]n2)c1 ZINC000826214751 607788524 /nfs/dbraw/zinc/78/85/24/607788524.db2.gz WADHOGHIIRVKHN-ZDUSSCGKSA-N -1 3 351.410 3.032 20 0 FGADHM CC(C)(CNC(=O)NCc1ccc(-c2nnn[n-]2)cc1F)C1CCCC1 ZINC000824157557 607793520 /nfs/dbraw/zinc/79/35/20/607793520.db2.gz JXYCNVZOYJJCSZ-UHFFFAOYSA-N -1 3 360.437 3.021 20 0 FGADHM CC(C)(CNC(=O)NCc1ccc(-c2nn[n-]n2)cc1F)C1CCCC1 ZINC000824157557 607793521 /nfs/dbraw/zinc/79/35/21/607793521.db2.gz JXYCNVZOYJJCSZ-UHFFFAOYSA-N -1 3 360.437 3.021 20 0 FGADHM CCN(C(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367137 607797195 /nfs/dbraw/zinc/79/71/95/607797195.db2.gz JPQYSUXEQLYTOU-UONOGXRCSA-N -1 3 369.375 3.302 20 0 FGADHM CCN(C(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367137 607797196 /nfs/dbraw/zinc/79/71/96/607797196.db2.gz JPQYSUXEQLYTOU-UONOGXRCSA-N -1 3 369.375 3.302 20 0 FGADHM CCN(C(=O)c1cc2c(s1)CCCC2)c1ccc(-c2nnn[n-]2)cc1 ZINC000825380107 607797469 /nfs/dbraw/zinc/79/74/69/607797469.db2.gz OHPDUQAAEHRQST-UHFFFAOYSA-N -1 3 353.451 3.474 20 0 FGADHM CCN(C(=O)c1cc2c(s1)CCCC2)c1ccc(-c2nn[n-]n2)cc1 ZINC000825380107 607797470 /nfs/dbraw/zinc/79/74/70/607797470.db2.gz OHPDUQAAEHRQST-UHFFFAOYSA-N -1 3 353.451 3.474 20 0 FGADHM CCN(C(=O)CCc1cccc(F)c1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000825372156 607799890 /nfs/dbraw/zinc/79/98/90/607799890.db2.gz RPNXOJDXIPDNLX-UHFFFAOYSA-N -1 3 357.364 3.131 20 0 FGADHM CCN(C(=O)CCc1cccc(F)c1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000825372156 607799891 /nfs/dbraw/zinc/79/98/91/607799891.db2.gz RPNXOJDXIPDNLX-UHFFFAOYSA-N -1 3 357.364 3.131 20 0 FGADHM CC(C)[C@H](O)C(C)(C)CNc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000824200758 607819681 /nfs/dbraw/zinc/81/96/81/607819681.db2.gz UUMOJEHHDVCNGI-ZDUSSCGKSA-N -1 3 357.380 3.341 20 0 FGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)Nc1cccc(-c2ncco2)c1 ZINC000826402389 607825903 /nfs/dbraw/zinc/82/59/03/607825903.db2.gz SGFYLBQBMBVOSW-HJWRWDBZSA-N -1 3 358.361 3.174 20 0 FGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)Nc1cccc(-c2ncco2)c1 ZINC000826402389 607825904 /nfs/dbraw/zinc/82/59/04/607825904.db2.gz SGFYLBQBMBVOSW-HJWRWDBZSA-N -1 3 358.361 3.174 20 0 FGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)CCCSC(C)(C)C ZINC000826184379 607826544 /nfs/dbraw/zinc/82/65/44/607826544.db2.gz UYOHZXCVBRIWDV-UHFFFAOYSA-N -1 3 364.471 3.230 20 0 FGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)CCCSC(C)(C)C ZINC000826184379 607826545 /nfs/dbraw/zinc/82/65/45/607826545.db2.gz UYOHZXCVBRIWDV-UHFFFAOYSA-N -1 3 364.471 3.230 20 0 FGADHM CN(Cc1ccccc1)C(=O)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000825980705 607832903 /nfs/dbraw/zinc/83/29/03/607832903.db2.gz HKYFDENHGHCCAL-UHFFFAOYSA-N -1 3 362.220 3.446 20 0 FGADHM CN(Cc1ccccc1)C(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000825980705 607832904 /nfs/dbraw/zinc/83/29/04/607832904.db2.gz HKYFDENHGHCCAL-UHFFFAOYSA-N -1 3 362.220 3.446 20 0 FGADHM Cc1nn(C)c(C)c1[C@@H]1CCCN1c1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000826333311 607842177 /nfs/dbraw/zinc/84/21/77/607842177.db2.gz CLJHONQRXUEVIL-KRWDZBQOSA-N -1 3 374.452 3.107 20 0 FGADHM Cc1nn(C)c(C)c1[C@@H]1CCCN1c1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000826333311 607842178 /nfs/dbraw/zinc/84/21/78/607842178.db2.gz CLJHONQRXUEVIL-KRWDZBQOSA-N -1 3 374.452 3.107 20 0 FGADHM CC(C)N1CCC[C@H](Sc2ccc(-c3nnn[n-]3)cc2Cl)C1=O ZINC000824300058 607844133 /nfs/dbraw/zinc/84/41/33/607844133.db2.gz BDKJDONVXBVZFN-ZDUSSCGKSA-N -1 3 351.863 3.012 20 0 FGADHM CC(C)N1CCC[C@H](Sc2ccc(-c3nn[n-]n3)cc2Cl)C1=O ZINC000824300058 607844134 /nfs/dbraw/zinc/84/41/34/607844134.db2.gz BDKJDONVXBVZFN-ZDUSSCGKSA-N -1 3 351.863 3.012 20 0 FGADHM O=c1[nH]c(CSc2ccc(-c3nnn[n-]3)cc2Cl)nc2ccccc12 ZINC000826500894 607845836 /nfs/dbraw/zinc/84/58/36/607845836.db2.gz QUMXRZZFAZXTFN-UHFFFAOYSA-N -1 3 370.825 3.461 20 0 FGADHM O=c1[nH]c(CSc2ccc(-c3nn[n-]n3)cc2Cl)nc2ccccc12 ZINC000826500894 607845837 /nfs/dbraw/zinc/84/58/37/607845837.db2.gz QUMXRZZFAZXTFN-UHFFFAOYSA-N -1 3 370.825 3.461 20 0 FGADHM CC(C)[C@@H](C(=O)NCc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC000824185363 607881240 /nfs/dbraw/zinc/88/12/40/607881240.db2.gz XEDCKLFIZAYEEJ-QGZVFWFLSA-N -1 3 353.401 3.062 20 0 FGADHM CC(C)[C@@H](C(=O)NCc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC000824185363 607881241 /nfs/dbraw/zinc/88/12/41/607881241.db2.gz XEDCKLFIZAYEEJ-QGZVFWFLSA-N -1 3 353.401 3.062 20 0 FGADHM COCC(C)(C)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826147587 607894905 /nfs/dbraw/zinc/89/49/05/607894905.db2.gz COEGMPJLXHXKMO-UHFFFAOYSA-N -1 3 367.409 3.270 20 0 FGADHM COCC(C)(C)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826147587 607894906 /nfs/dbraw/zinc/89/49/06/607894906.db2.gz COEGMPJLXHXKMO-UHFFFAOYSA-N -1 3 367.409 3.270 20 0 FGADHM C[C@H](Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccc([S@@](C)=O)cc1 ZINC000824650376 607902704 /nfs/dbraw/zinc/90/27/04/607902704.db2.gz RDFSWSJMCQIDID-CCGUKBGLSA-N -1 3 361.858 3.431 20 0 FGADHM C[C@H](Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc([S@@](C)=O)cc1 ZINC000824650376 607902705 /nfs/dbraw/zinc/90/27/05/607902705.db2.gz RDFSWSJMCQIDID-CCGUKBGLSA-N -1 3 361.858 3.431 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)C(F)(F)c1c(F)cccc1F ZINC000826453599 607937501 /nfs/dbraw/zinc/93/75/01/607937501.db2.gz QUVKDLKHVCFGNM-UHFFFAOYSA-N -1 3 369.253 3.015 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)C(F)(F)c1c(F)cccc1F ZINC000826453599 607937502 /nfs/dbraw/zinc/93/75/02/607937502.db2.gz QUVKDLKHVCFGNM-UHFFFAOYSA-N -1 3 369.253 3.015 20 0 FGADHM CS[C@H](C)CC(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000826225228 607943217 /nfs/dbraw/zinc/94/32/17/607943217.db2.gz WTCVXGJMEFAHHI-SECBINFHSA-N -1 3 360.468 3.070 20 0 FGADHM CS[C@H](C)CC(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826225228 607943218 /nfs/dbraw/zinc/94/32/18/607943218.db2.gz WTCVXGJMEFAHHI-SECBINFHSA-N -1 3 360.468 3.070 20 0 FGADHM O=C(c1cccc(-c2cscn2)c1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826473914 607951520 /nfs/dbraw/zinc/95/15/20/607951520.db2.gz TYDPDWFVOBHPOB-UHFFFAOYSA-N -1 3 374.429 3.193 20 0 FGADHM O=C(c1cccc(-c2cscn2)c1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826473914 607951521 /nfs/dbraw/zinc/95/15/21/607951521.db2.gz TYDPDWFVOBHPOB-UHFFFAOYSA-N -1 3 374.429 3.193 20 0 FGADHM C[C@@H](SCc1ccccc1)C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000824757189 607953024 /nfs/dbraw/zinc/95/30/24/607953024.db2.gz UGZCGQIOELIBHN-CYBMUJFWSA-N -1 3 365.462 3.078 20 0 FGADHM C[C@@H](SCc1ccccc1)C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000824757189 607953025 /nfs/dbraw/zinc/95/30/25/607953025.db2.gz UGZCGQIOELIBHN-CYBMUJFWSA-N -1 3 365.462 3.078 20 0 FGADHM C[C@H](SCc1ccccc1)C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000824757190 607953246 /nfs/dbraw/zinc/95/32/46/607953246.db2.gz UGZCGQIOELIBHN-ZDUSSCGKSA-N -1 3 365.462 3.078 20 0 FGADHM C[C@H](SCc1ccccc1)C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000824757190 607953247 /nfs/dbraw/zinc/95/32/47/607953247.db2.gz UGZCGQIOELIBHN-ZDUSSCGKSA-N -1 3 365.462 3.078 20 0 FGADHM COc1ccc(C[C@H](C)CNc2ncc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000826191384 607968296 /nfs/dbraw/zinc/96/82/96/607968296.db2.gz FNBWIPINUKPFRV-NSHDSACASA-N -1 3 358.833 3.214 20 0 FGADHM COc1ccc(C[C@H](C)CNc2ncc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000826191384 607968297 /nfs/dbraw/zinc/96/82/97/607968297.db2.gz FNBWIPINUKPFRV-NSHDSACASA-N -1 3 358.833 3.214 20 0 FGADHM CCN(C(=O)c1nc(Cl)ccc1F)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825390764 607978317 /nfs/dbraw/zinc/97/83/17/607978317.db2.gz LZWQEIWKFATNHJ-JTQLQIEISA-N -1 3 374.807 3.278 20 0 FGADHM CCN(C(=O)c1nc(Cl)ccc1F)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825390764 607978318 /nfs/dbraw/zinc/97/83/18/607978318.db2.gz LZWQEIWKFATNHJ-JTQLQIEISA-N -1 3 374.807 3.278 20 0 FGADHM Cc1oc2ccccc2c1C=C1N=C(c2ccc(-c3nnn[n-]3)cc2)OC1=O ZINC000826342618 607982124 /nfs/dbraw/zinc/98/21/24/607982124.db2.gz SKLWRPMTNHMGNG-YBEGLDIGSA-N -1 3 371.356 3.266 20 0 FGADHM Cc1oc2ccccc2c1C=C1N=C(c2ccc(-c3nn[n-]n3)cc2)OC1=O ZINC000826342618 607982125 /nfs/dbraw/zinc/98/21/25/607982125.db2.gz SKLWRPMTNHMGNG-YBEGLDIGSA-N -1 3 371.356 3.266 20 0 FGADHM Cc1cc(N[C@@H](C)c2ccc[nH]2)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000826270929 608017131 /nfs/dbraw/zinc/01/71/31/608017131.db2.gz UVGIZVXLXNKVLE-LBPRGKRZSA-N -1 3 358.409 3.477 20 0 FGADHM Cc1cc(N[C@@H](C)c2ccc[nH]2)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC000826270929 608017132 /nfs/dbraw/zinc/01/71/32/608017132.db2.gz UVGIZVXLXNKVLE-LBPRGKRZSA-N -1 3 358.409 3.477 20 0 FGADHM Cc1ncc(-c2ccccc2)cc1NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826329425 608027201 /nfs/dbraw/zinc/02/72/01/608027201.db2.gz CMOCWDSBZMNXJU-UHFFFAOYSA-N -1 3 356.389 3.489 20 0 FGADHM Cc1ncc(-c2ccccc2)cc1NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826329425 608027202 /nfs/dbraw/zinc/02/72/02/608027202.db2.gz CMOCWDSBZMNXJU-UHFFFAOYSA-N -1 3 356.389 3.489 20 0 FGADHM Cn1c2ccc(NCc3ccc(-c4nnn[n-]4)s3)cc2nc1C1CC1 ZINC000826355181 608028280 /nfs/dbraw/zinc/02/82/80/608028280.db2.gz NMBHUTGECOMYNR-UHFFFAOYSA-N -1 3 351.439 3.304 20 0 FGADHM CN(C(=O)C=Cc1ccccc1-c1nnn[n-]1)c1cccc2ncccc21 ZINC000825811756 608030235 /nfs/dbraw/zinc/03/02/35/608030235.db2.gz BCNUVDSUQHUNLJ-QXMHVHEDSA-N -1 3 356.389 3.091 20 0 FGADHM CN(C(=O)C=Cc1ccccc1-c1nn[n-]n1)c1cccc2ncccc21 ZINC000825811756 608030236 /nfs/dbraw/zinc/03/02/36/608030236.db2.gz BCNUVDSUQHUNLJ-QXMHVHEDSA-N -1 3 356.389 3.091 20 0 FGADHM O=C(c1ccc(-c2nnn[n-]2)cc1)N1CCCC[C@H]1CCc1ccccc1 ZINC000826471515 608032313 /nfs/dbraw/zinc/03/23/13/608032313.db2.gz CFAYQUMWAXPNJZ-IBGZPJMESA-N -1 3 361.449 3.494 20 0 FGADHM O=C(c1ccc(-c2nn[n-]n2)cc1)N1CCCC[C@H]1CCc1ccccc1 ZINC000826471515 608032314 /nfs/dbraw/zinc/03/23/14/608032314.db2.gz CFAYQUMWAXPNJZ-IBGZPJMESA-N -1 3 361.449 3.494 20 0 FGADHM CS[C@@H]1CC[C@@H](Nc2ccc(-c3nn[n-]n3)cc2Br)C1 ZINC000826227530 608050766 /nfs/dbraw/zinc/05/07/66/608050766.db2.gz SPLUIDGIGUSWBU-NXEZZACHSA-N -1 3 354.277 3.325 20 0 FGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)OCCCSCc1ccccc1 ZINC000826423553 608057426 /nfs/dbraw/zinc/05/74/26/608057426.db2.gz UYCAXEDTFUXLHV-UHFFFAOYSA-N -1 3 368.462 3.276 20 0 FGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)OCCCSCc1ccccc1 ZINC000826423553 608057427 /nfs/dbraw/zinc/05/74/27/608057427.db2.gz UYCAXEDTFUXLHV-UHFFFAOYSA-N -1 3 368.462 3.276 20 0 FGADHM Cc1cc(C)c(-c2nnn[n-]2)c(SCc2ccc(-n3cccn3)cc2)n1 ZINC000826262912 608057479 /nfs/dbraw/zinc/05/74/79/608057479.db2.gz CSZDTBXAKMLBFW-UHFFFAOYSA-N -1 3 363.450 3.357 20 0 FGADHM Cc1cc(C)c(-c2nn[n-]n2)c(SCc2ccc(-n3cccn3)cc2)n1 ZINC000826262912 608057480 /nfs/dbraw/zinc/05/74/80/608057480.db2.gz CSZDTBXAKMLBFW-UHFFFAOYSA-N -1 3 363.450 3.357 20 0 FGADHM CCSCc1ccnc(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)c1 ZINC000825675187 608074523 /nfs/dbraw/zinc/07/45/23/608074523.db2.gz ZFXKQPIWXVCKPR-FPLPWBNLSA-N -1 3 366.450 3.167 20 0 FGADHM CCSCc1ccnc(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)c1 ZINC000825675187 608074524 /nfs/dbraw/zinc/07/45/24/608074524.db2.gz ZFXKQPIWXVCKPR-FPLPWBNLSA-N -1 3 366.450 3.167 20 0 FGADHM C[C@H](OC(=O)C1=Cc2cc(F)ccc2OC1)c1cccc(-c2nnn[n-]2)c1 ZINC000824714002 608075221 /nfs/dbraw/zinc/07/52/21/608075221.db2.gz LVSLRKOUSPRYMJ-NSHDSACASA-N -1 3 366.352 3.086 20 0 FGADHM C[C@H](OC(=O)C1=Cc2cc(F)ccc2OC1)c1cccc(-c2nn[n-]n2)c1 ZINC000824714002 608075222 /nfs/dbraw/zinc/07/52/22/608075222.db2.gz LVSLRKOUSPRYMJ-NSHDSACASA-N -1 3 366.352 3.086 20 0 FGADHM C[C@H](OC(=O)c1cccc([C@@H]2CCOC2)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824721952 608075305 /nfs/dbraw/zinc/07/53/05/608075305.db2.gz FSZNGKBDDOZCCS-SCLBCKFNSA-N -1 3 364.405 3.289 20 0 FGADHM C[C@H](OC(=O)c1cccc([C@@H]2CCOC2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824721952 608075306 /nfs/dbraw/zinc/07/53/06/608075306.db2.gz FSZNGKBDDOZCCS-SCLBCKFNSA-N -1 3 364.405 3.289 20 0 FGADHM CCN(C)[C@H](C(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000825391159 608091189 /nfs/dbraw/zinc/09/11/89/608091189.db2.gz VWJUCFLPSDWYAC-KSSFIOAISA-N -1 3 365.437 3.164 20 0 FGADHM CCN(C)[C@H](C(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000825391159 608091190 /nfs/dbraw/zinc/09/11/90/608091190.db2.gz VWJUCFLPSDWYAC-KSSFIOAISA-N -1 3 365.437 3.164 20 0 FGADHM C[C@@H](C(=O)OCc1cc(-c2nnn[n-]2)ccc1F)c1c(F)cccc1F ZINC000824052362 608117287 /nfs/dbraw/zinc/11/72/87/608117287.db2.gz NQQCINNPGSHMOQ-SECBINFHSA-N -1 3 362.311 3.131 20 0 FGADHM C[C@@H](C(=O)OCc1cc(-c2nn[n-]n2)ccc1F)c1c(F)cccc1F ZINC000824052362 608117288 /nfs/dbraw/zinc/11/72/88/608117288.db2.gz NQQCINNPGSHMOQ-SECBINFHSA-N -1 3 362.311 3.131 20 0 FGADHM COc1ccccc1OC[C@@H](C)CNc1cccc(F)c1-c1nnn[n-]1 ZINC000826220668 608124346 /nfs/dbraw/zinc/12/43/46/608124346.db2.gz VWWAELZZDJWMSG-LBPRGKRZSA-N -1 3 357.389 3.141 20 0 FGADHM COc1ccccc1OC[C@@H](C)CNc1cccc(F)c1-c1nn[n-]n1 ZINC000826220668 608124347 /nfs/dbraw/zinc/12/43/47/608124347.db2.gz VWWAELZZDJWMSG-LBPRGKRZSA-N -1 3 357.389 3.141 20 0 FGADHM Cc1ccc([C@H]2CCN(C(=O)C=Cc3ccccc3-c3nnn[n-]3)C2)cc1 ZINC000826286051 608129961 /nfs/dbraw/zinc/12/99/61/608129961.db2.gz QVBOLISVGPGREP-ZGKFYVQTSA-N -1 3 359.433 3.204 20 0 FGADHM Cc1ccc([C@H]2CCN(C(=O)C=Cc3ccccc3-c3nn[n-]n3)C2)cc1 ZINC000826286051 608129962 /nfs/dbraw/zinc/12/99/62/608129962.db2.gz QVBOLISVGPGREP-ZGKFYVQTSA-N -1 3 359.433 3.204 20 0 FGADHM C[C@H](NCc1nc2c(s1)CCCC2)c1ccc(-c2nnn[n-]2)cc1F ZINC000824635165 608136376 /nfs/dbraw/zinc/13/63/76/608136376.db2.gz ZEEMWMSGKXDOGI-JTQLQIEISA-N -1 3 358.446 3.192 20 0 FGADHM C[C@H](NCc1nc2c(s1)CCCC2)c1ccc(-c2nn[n-]n2)cc1F ZINC000824635165 608136377 /nfs/dbraw/zinc/13/63/77/608136377.db2.gz ZEEMWMSGKXDOGI-JTQLQIEISA-N -1 3 358.446 3.192 20 0 FGADHM CC(C)(C)[C@H]1C[C@H](Nc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)CCO1 ZINC000824079941 608149859 /nfs/dbraw/zinc/14/98/59/608149859.db2.gz SXXOPTQBBNMQER-BXKDBHETSA-N -1 3 370.379 3.286 20 0 FGADHM CC(C)(C)[C@H]1C[C@H](Nc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)CCO1 ZINC000824079941 608149862 /nfs/dbraw/zinc/14/98/62/608149862.db2.gz SXXOPTQBBNMQER-BXKDBHETSA-N -1 3 370.379 3.286 20 0 FGADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N[C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000826304368 608150470 /nfs/dbraw/zinc/15/04/70/608150470.db2.gz IQFPXSMHEXZUJJ-CJNGLKHVSA-N -1 3 366.469 3.151 20 0 FGADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N[C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000826304368 608150472 /nfs/dbraw/zinc/15/04/72/608150472.db2.gz IQFPXSMHEXZUJJ-CJNGLKHVSA-N -1 3 366.469 3.151 20 0 FGADHM C[C@H]1CCC[C@@H](CSCC(=O)NCc2cccc(-c3nnn[n-]3)c2)C1 ZINC000824927115 608155420 /nfs/dbraw/zinc/15/54/20/608155420.db2.gz MSCHEMWCYLWKPJ-DZGCQCFKSA-N -1 3 359.499 3.042 20 0 FGADHM C[C@H]1CCC[C@@H](CSCC(=O)NCc2cccc(-c3nn[n-]n3)c2)C1 ZINC000824927115 608155421 /nfs/dbraw/zinc/15/54/21/608155421.db2.gz MSCHEMWCYLWKPJ-DZGCQCFKSA-N -1 3 359.499 3.042 20 0 FGADHM CCN(C(=O)[C@H](C)c1c(F)cccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000825361169 608157542 /nfs/dbraw/zinc/15/75/42/608157542.db2.gz CMBZIVGWKBUYSE-LLVKDONJSA-N -1 3 357.364 3.302 20 0 FGADHM CCN(C(=O)[C@H](C)c1c(F)cccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000825361169 608157544 /nfs/dbraw/zinc/15/75/44/608157544.db2.gz CMBZIVGWKBUYSE-LLVKDONJSA-N -1 3 357.364 3.302 20 0 FGADHM Cc1cccc(C2=CCN(C(=O)CCc3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000826296998 608163597 /nfs/dbraw/zinc/16/35/97/608163597.db2.gz QZSYNHXJUDPJAR-UHFFFAOYSA-N -1 3 373.460 3.424 20 0 FGADHM Cc1cccc(C2=CCN(C(=O)CCc3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000826296998 608163599 /nfs/dbraw/zinc/16/35/99/608163599.db2.gz QZSYNHXJUDPJAR-UHFFFAOYSA-N -1 3 373.460 3.424 20 0 FGADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)c1ccc(C)c(C)c1 ZINC000825793369 608178089 /nfs/dbraw/zinc/17/80/89/608178089.db2.gz RNWBOIITPDXDPU-UHFFFAOYSA-N -1 3 361.409 3.105 20 0 FGADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)c1ccc(C)c(C)c1 ZINC000825793369 608178091 /nfs/dbraw/zinc/17/80/91/608178091.db2.gz RNWBOIITPDXDPU-UHFFFAOYSA-N -1 3 361.409 3.105 20 0 FGADHM CC[C@H](C)[C@@H](O)C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000825059222 608194722 /nfs/dbraw/zinc/19/47/22/608194722.db2.gz DDDVBYOCKGYXDR-YVEFUNNKSA-N -1 3 367.409 3.005 20 0 FGADHM CC[C@H](C)[C@@H](O)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825059222 608194724 /nfs/dbraw/zinc/19/47/24/608194724.db2.gz DDDVBYOCKGYXDR-YVEFUNNKSA-N -1 3 367.409 3.005 20 0 FGADHM COc1ccc(CNc2ccc3cc(-c4nnn[n-]4)ccc3n2)cc1F ZINC000826204112 608221802 /nfs/dbraw/zinc/22/18/02/608221802.db2.gz XXKSTWQTKLQGFR-UHFFFAOYSA-N -1 3 350.357 3.175 20 0 FGADHM COc1ccc(CNc2ccc3cc(-c4nn[n-]n4)ccc3n2)cc1F ZINC000826204112 608221804 /nfs/dbraw/zinc/22/18/04/608221804.db2.gz XXKSTWQTKLQGFR-UHFFFAOYSA-N -1 3 350.357 3.175 20 0 FGADHM Fc1ccc(OCCNc2ccc3cc(-c4nnn[n-]4)ccc3n2)cc1 ZINC000826376242 608222656 /nfs/dbraw/zinc/22/26/56/608222656.db2.gz USTOCRSGYJIWBL-UHFFFAOYSA-N -1 3 350.357 3.045 20 0 FGADHM Fc1ccc(OCCNc2ccc3cc(-c4nn[n-]n4)ccc3n2)cc1 ZINC000826376242 608222657 /nfs/dbraw/zinc/22/26/57/608222657.db2.gz USTOCRSGYJIWBL-UHFFFAOYSA-N -1 3 350.357 3.045 20 0 FGADHM c1ccc(N2CCCN(c3ccc4cc(-c5nnn[n-]5)ccc4n3)CC2)cc1 ZINC000826522161 608224182 /nfs/dbraw/zinc/22/41/82/608224182.db2.gz OOCKJCLTXVRGJM-UHFFFAOYSA-N -1 3 371.448 3.132 20 0 FGADHM c1ccc(N2CCCN(c3ccc4cc(-c5nn[n-]n5)ccc4n3)CC2)cc1 ZINC000826522161 608224184 /nfs/dbraw/zinc/22/41/84/608224184.db2.gz OOCKJCLTXVRGJM-UHFFFAOYSA-N -1 3 371.448 3.132 20 0 FGADHM c1ccc(N2CC[C@@H](Nc3ccc4cc(-c5nnn[n-]5)ccc4n3)C2)cc1 ZINC000826522427 608227781 /nfs/dbraw/zinc/22/77/81/608227781.db2.gz ZABMRGLFLXQGOG-MRXNPFEDSA-N -1 3 357.421 3.106 20 0 FGADHM c1ccc(N2CC[C@@H](Nc3ccc4cc(-c5nn[n-]n5)ccc4n3)C2)cc1 ZINC000826522427 608227783 /nfs/dbraw/zinc/22/77/83/608227783.db2.gz ZABMRGLFLXQGOG-MRXNPFEDSA-N -1 3 357.421 3.106 20 0 FGADHM Cc1ncc2c(n1)CCC[C@H]2Nc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000826330368 608228904 /nfs/dbraw/zinc/22/89/04/608228904.db2.gz RJNKPGRFMZIZDO-QGZVFWFLSA-N -1 3 358.409 3.003 20 0 FGADHM Cc1ncc2c(n1)CCC[C@H]2Nc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000826330368 608228905 /nfs/dbraw/zinc/22/89/05/608228905.db2.gz RJNKPGRFMZIZDO-QGZVFWFLSA-N -1 3 358.409 3.003 20 0 FGADHM c1cc2nc(N[C@@H]3CC[C@@H]4SCCS[C@@H]34)ccc2cc1-c1nnn[n-]1 ZINC000826518530 608235698 /nfs/dbraw/zinc/23/56/98/608235698.db2.gz QOSIYTVGDJUOFU-YCPHGPKFSA-N -1 3 370.507 3.206 20 0 FGADHM c1cc2nc(N[C@@H]3CC[C@@H]4SCCS[C@@H]34)ccc2cc1-c1nn[n-]n1 ZINC000826518530 608235699 /nfs/dbraw/zinc/23/56/99/608235699.db2.gz QOSIYTVGDJUOFU-YCPHGPKFSA-N -1 3 370.507 3.206 20 0 FGADHM COc1ccc([C@@H](OC)[C@@H](C)Nc2nc(C)cc(C)c2-c2nnn[n-]2)cc1 ZINC000826189732 608239074 /nfs/dbraw/zinc/23/90/74/608239074.db2.gz CYJOTCIEIAEITD-DYVFJYSZSA-N -1 3 368.441 3.075 20 0 FGADHM COc1ccc([C@@H](OC)[C@@H](C)Nc2nc(C)cc(C)c2-c2nn[n-]n2)cc1 ZINC000826189732 608239075 /nfs/dbraw/zinc/23/90/75/608239075.db2.gz CYJOTCIEIAEITD-DYVFJYSZSA-N -1 3 368.441 3.075 20 0 FGADHM CC(C)[C@@H]1C[C@@H](Nc2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)CCO1 ZINC000824213424 608242302 /nfs/dbraw/zinc/24/23/02/608242302.db2.gz BAZGVOSRRGAZGB-NHYWBVRUSA-N -1 3 374.395 3.309 20 0 FGADHM CC(C)[C@@H]1C[C@@H](Nc2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)CCO1 ZINC000824213424 608242303 /nfs/dbraw/zinc/24/23/03/608242303.db2.gz BAZGVOSRRGAZGB-NHYWBVRUSA-N -1 3 374.395 3.309 20 0 FGADHM CCCCOc1ccc(CNc2nc(C)ccc2-c2nnn[n-]2)cc1OC ZINC000825291195 608273466 /nfs/dbraw/zinc/27/34/66/608273466.db2.gz OCWDTMYIIPRJEX-UHFFFAOYSA-N -1 3 368.441 3.370 20 0 FGADHM CCCCOc1ccc(CNc2nc(C)ccc2-c2nn[n-]n2)cc1OC ZINC000825291195 608273468 /nfs/dbraw/zinc/27/34/68/608273468.db2.gz OCWDTMYIIPRJEX-UHFFFAOYSA-N -1 3 368.441 3.370 20 0 FGADHM C[C@@H](OC(=O)C=Cc1ccc(Cl)nc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824713727 608273860 /nfs/dbraw/zinc/27/38/60/608273860.db2.gz KHSMGLSDONHWOF-BPOWMSRESA-N -1 3 355.785 3.233 20 0 FGADHM C[C@@H](OC(=O)C=Cc1ccc(Cl)nc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824713727 608273863 /nfs/dbraw/zinc/27/38/63/608273863.db2.gz KHSMGLSDONHWOF-BPOWMSRESA-N -1 3 355.785 3.233 20 0 FGADHM Cc1ccc(-c2nnn[n-]2)c(N2CCc3[nH]c4ccc(Cl)cc4c3C2)n1 ZINC000826275049 608275706 /nfs/dbraw/zinc/27/57/06/608275706.db2.gz MJOSJSIKFAUUIK-UHFFFAOYSA-N -1 3 365.828 3.268 20 0 FGADHM Cc1ccc(-c2nn[n-]n2)c(N2CCc3[nH]c4ccc(Cl)cc4c3C2)n1 ZINC000826275049 608275708 /nfs/dbraw/zinc/27/57/08/608275708.db2.gz MJOSJSIKFAUUIK-UHFFFAOYSA-N -1 3 365.828 3.268 20 0 FGADHM Cc1nc([C@H]2CCCN(c3nc(C)ccc3-c3nnn[n-]3)C2)sc1C ZINC000826274257 608280137 /nfs/dbraw/zinc/28/01/37/608280137.db2.gz LFZMSBUZKDBUAM-ZDUSSCGKSA-N -1 3 355.471 3.027 20 0 FGADHM Cc1nc([C@H]2CCCN(c3nc(C)ccc3-c3nn[n-]n3)C2)sc1C ZINC000826274257 608280139 /nfs/dbraw/zinc/28/01/39/608280139.db2.gz LFZMSBUZKDBUAM-ZDUSSCGKSA-N -1 3 355.471 3.027 20 0 FGADHM c1ccc2c(c1)nc(N1CCC[C@@H](C[C@H]3CCOC3)C1)cc2-c1nnn[n-]1 ZINC000826522790 608297218 /nfs/dbraw/zinc/29/72/18/608297218.db2.gz OHNLHZCPBMSUOQ-LSDHHAIUSA-N -1 3 364.453 3.058 20 0 FGADHM c1ccc2c(c1)nc(N1CCC[C@@H](C[C@H]3CCOC3)C1)cc2-c1nn[n-]n1 ZINC000826522790 608297220 /nfs/dbraw/zinc/29/72/20/608297220.db2.gz OHNLHZCPBMSUOQ-LSDHHAIUSA-N -1 3 364.453 3.058 20 0 FGADHM Cc1c(NC(=O)c2cccc([C@H]3CCCOC3)c2)cccc1-c1nnn[n-]1 ZINC000826242155 608307830 /nfs/dbraw/zinc/30/78/30/608307830.db2.gz CAUFKJPLYBXNQL-INIZCTEOSA-N -1 3 363.421 3.321 20 0 FGADHM Cc1c(NC(=O)c2cccc([C@H]3CCCOC3)c2)cccc1-c1nn[n-]n1 ZINC000826242155 608307832 /nfs/dbraw/zinc/30/78/32/608307832.db2.gz CAUFKJPLYBXNQL-INIZCTEOSA-N -1 3 363.421 3.321 20 0 FGADHM C[C@@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1cccc(F)c1F ZINC000824478778 608314184 /nfs/dbraw/zinc/31/41/84/608314184.db2.gz IJNKVQIVTMXFHE-PBQZMEPESA-N -1 3 355.348 3.036 20 0 FGADHM C[C@@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1cccc(F)c1F ZINC000824478778 608314186 /nfs/dbraw/zinc/31/41/86/608314186.db2.gz IJNKVQIVTMXFHE-PBQZMEPESA-N -1 3 355.348 3.036 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1CNc1cc(F)ccc1OC(C)C ZINC000826170476 608319974 /nfs/dbraw/zinc/31/99/74/608319974.db2.gz BIABLPLFCFWLES-UHFFFAOYSA-N -1 3 357.389 3.414 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1CNc1cc(F)ccc1OC(C)C ZINC000826170476 608319976 /nfs/dbraw/zinc/31/99/76/608319976.db2.gz BIABLPLFCFWLES-UHFFFAOYSA-N -1 3 357.389 3.414 20 0 FGADHM CCN(C(=O)CC[C@H]1CC[C@H](C)O1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825371954 608343614 /nfs/dbraw/zinc/34/36/14/608343614.db2.gz OLNOBOIBKJPGIY-WCQYABFASA-N -1 3 363.849 3.221 20 0 FGADHM CCN(C(=O)CC[C@H]1CC[C@H](C)O1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825371954 608343616 /nfs/dbraw/zinc/34/36/16/608343616.db2.gz OLNOBOIBKJPGIY-WCQYABFASA-N -1 3 363.849 3.221 20 0 FGADHM COc1cc(-c2nnn[n-]2)ccc1CN(C)Cc1c(F)cccc1Cl ZINC000826167444 608351918 /nfs/dbraw/zinc/35/19/18/608351918.db2.gz DRKMHRCSBYLWSI-UHFFFAOYSA-N -1 3 361.808 3.300 20 0 FGADHM COc1cc(-c2nn[n-]n2)ccc1CN(C)Cc1c(F)cccc1Cl ZINC000826167444 608351920 /nfs/dbraw/zinc/35/19/20/608351920.db2.gz DRKMHRCSBYLWSI-UHFFFAOYSA-N -1 3 361.808 3.300 20 0 FGADHM C[C@H]1CCCN1C(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000824946824 608355918 /nfs/dbraw/zinc/35/59/18/608355918.db2.gz LCLWRQQPRIKHII-AWEZNQCLSA-N -1 3 362.437 3.228 20 0 FGADHM C[C@H]1CCCN1C(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000824946824 608355919 /nfs/dbraw/zinc/35/59/19/608355919.db2.gz LCLWRQQPRIKHII-AWEZNQCLSA-N -1 3 362.437 3.228 20 0 FGADHM O=C(NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)N1C[C@H]2CCC[C@H]21 ZINC000826440958 608357552 /nfs/dbraw/zinc/35/75/52/608357552.db2.gz HAZFEVWABORJJP-VQIMIIECSA-N -1 3 374.448 3.228 20 0 FGADHM O=C(NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)N1C[C@H]2CCC[C@H]21 ZINC000826440958 608357553 /nfs/dbraw/zinc/35/75/53/608357553.db2.gz HAZFEVWABORJJP-VQIMIIECSA-N -1 3 374.448 3.228 20 0 FGADHM O=C1OCCN1c1cccc(CNc2cc(Cl)ccc2-c2nnn[n-]2)c1 ZINC000826483747 608370475 /nfs/dbraw/zinc/37/04/75/608370475.db2.gz YRZTXHJBPWCMSO-UHFFFAOYSA-N -1 3 370.800 3.089 20 0 FGADHM O=C1OCCN1c1cccc(CNc2cc(Cl)ccc2-c2nn[n-]n2)c1 ZINC000826483747 608370477 /nfs/dbraw/zinc/37/04/77/608370477.db2.gz YRZTXHJBPWCMSO-UHFFFAOYSA-N -1 3 370.800 3.089 20 0 FGADHM CSc1cc(C(=O)OCc2ccc(F)cc2-c2nnn[n-]2)ccc1F ZINC000826230221 608381421 /nfs/dbraw/zinc/38/14/21/608381421.db2.gz KAZARPGNCTYUKE-UHFFFAOYSA-N -1 3 362.361 3.224 20 0 FGADHM CSc1cc(C(=O)OCc2ccc(F)cc2-c2nn[n-]n2)ccc1F ZINC000826230221 608381423 /nfs/dbraw/zinc/38/14/23/608381423.db2.gz KAZARPGNCTYUKE-UHFFFAOYSA-N -1 3 362.361 3.224 20 0 FGADHM Cc1ccccc1[C@H]1CN(Cc2cccc(-c3nnn[n-]3)c2F)[C@H](C)CO1 ZINC000826307021 608397695 /nfs/dbraw/zinc/39/76/95/608397695.db2.gz UCZQNFVZQBTXEJ-RDTXWAMCSA-N -1 3 367.428 3.276 20 0 FGADHM Cc1ccccc1[C@H]1CN(Cc2cccc(-c3nn[n-]n3)c2F)[C@H](C)CO1 ZINC000826307021 608397697 /nfs/dbraw/zinc/39/76/97/608397697.db2.gz UCZQNFVZQBTXEJ-RDTXWAMCSA-N -1 3 367.428 3.276 20 0 FGADHM Fc1c(CSCCc2ccc3c(c2)CCO3)cccc1-c1nnn[n-]1 ZINC000826370619 608404769 /nfs/dbraw/zinc/40/47/69/608404769.db2.gz AUMIQSWAGGZBKX-UHFFFAOYSA-N -1 3 356.426 3.417 20 0 FGADHM Fc1c(CSCCc2ccc3c(c2)CCO3)cccc1-c1nn[n-]n1 ZINC000826370619 608404770 /nfs/dbraw/zinc/40/47/70/608404770.db2.gz AUMIQSWAGGZBKX-UHFFFAOYSA-N -1 3 356.426 3.417 20 0 FGADHM O=C(Cc1c(F)cccc1Cl)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826421690 608440753 /nfs/dbraw/zinc/44/07/53/608440753.db2.gz UPSCWRBSIWMBBC-UHFFFAOYSA-N -1 3 364.739 3.084 20 0 FGADHM O=C(Cc1c(F)cccc1Cl)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826421690 608440755 /nfs/dbraw/zinc/44/07/55/608440755.db2.gz UPSCWRBSIWMBBC-UHFFFAOYSA-N -1 3 364.739 3.084 20 0 FGADHM Cn1c(Cl)c(Cl)cc1C(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826355039 608441785 /nfs/dbraw/zinc/44/17/85/608441785.db2.gz HOEFLNFFYPCCNY-UHFFFAOYSA-N -1 3 370.171 3.008 20 0 FGADHM Cn1c(Cl)c(Cl)cc1C(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826355039 608441787 /nfs/dbraw/zinc/44/17/87/608441787.db2.gz HOEFLNFFYPCCNY-UHFFFAOYSA-N -1 3 370.171 3.008 20 0 FGADHM O=C(Cc1cc2ccccc2o1)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826421433 608445482 /nfs/dbraw/zinc/44/54/82/608445482.db2.gz HSMRWQVYKDERFJ-UHFFFAOYSA-N -1 3 352.325 3.038 20 0 FGADHM O=C(Cc1cc2ccccc2o1)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826421433 608445484 /nfs/dbraw/zinc/44/54/84/608445484.db2.gz HSMRWQVYKDERFJ-UHFFFAOYSA-N -1 3 352.325 3.038 20 0 FGADHM C[C@@H](CC(=O)OCc1cccc(-c2nnn[n-]2)c1F)c1ccc(F)cc1 ZINC000824390489 608447327 /nfs/dbraw/zinc/44/73/27/608447327.db2.gz AMONAFXYNACGQH-NSHDSACASA-N -1 3 358.348 3.382 20 0 FGADHM C[C@@H](CC(=O)OCc1cccc(-c2nn[n-]n2)c1F)c1ccc(F)cc1 ZINC000824390489 608447329 /nfs/dbraw/zinc/44/73/29/608447329.db2.gz AMONAFXYNACGQH-NSHDSACASA-N -1 3 358.348 3.382 20 0 FGADHM C[C@@H](CSc1ccccc1)C(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000824448117 608447888 /nfs/dbraw/zinc/44/78/88/608447888.db2.gz FXMKFYYRFBYTPN-LBPRGKRZSA-N -1 3 372.425 3.477 20 0 FGADHM C[C@@H](CSc1ccccc1)C(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000824448117 608447890 /nfs/dbraw/zinc/44/78/90/608447890.db2.gz FXMKFYYRFBYTPN-LBPRGKRZSA-N -1 3 372.425 3.477 20 0 FGADHM C[C@H](CCc1ccccc1F)C(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000824413829 608449571 /nfs/dbraw/zinc/44/95/71/608449571.db2.gz QIACYRXHAPOFGD-GFCCVEGCSA-N -1 3 372.375 3.457 20 0 FGADHM C[C@H](CCc1ccccc1F)C(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000824413829 608449573 /nfs/dbraw/zinc/44/95/73/608449573.db2.gz QIACYRXHAPOFGD-GFCCVEGCSA-N -1 3 372.375 3.457 20 0 FGADHM O=C(C/C=C\c1cccc(F)c1)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826405261 608451600 /nfs/dbraw/zinc/45/16/00/608451600.db2.gz ZXHSBSQJFDQJJB-DJWKRKHSSA-N -1 3 356.332 3.292 20 0 FGADHM O=C(C/C=C\c1cccc(F)c1)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826405261 608451601 /nfs/dbraw/zinc/45/16/01/608451601.db2.gz ZXHSBSQJFDQJJB-DJWKRKHSSA-N -1 3 356.332 3.292 20 0 FGADHM Cc1ccsc1[C@@H]1C[C@H]1C(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826316385 608453473 /nfs/dbraw/zinc/45/34/73/608453473.db2.gz MPOYDZKFGQMVQT-CHWSQXEVSA-N -1 3 358.398 3.223 20 0 FGADHM Cc1ccsc1[C@@H]1C[C@H]1C(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826316385 608453475 /nfs/dbraw/zinc/45/34/75/608453475.db2.gz MPOYDZKFGQMVQT-CHWSQXEVSA-N -1 3 358.398 3.223 20 0 FGADHM Cc1ccsc1[C@H]1C[C@H]1C(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826316387 608453606 /nfs/dbraw/zinc/45/36/06/608453606.db2.gz MPOYDZKFGQMVQT-QWHCGFSZSA-N -1 3 358.398 3.223 20 0 FGADHM Cc1ccsc1[C@H]1C[C@H]1C(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826316387 608453607 /nfs/dbraw/zinc/45/36/07/608453607.db2.gz MPOYDZKFGQMVQT-QWHCGFSZSA-N -1 3 358.398 3.223 20 0 FGADHM CCc1ccnc(C(=O)N(CC(C)C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000825727907 608459800 /nfs/dbraw/zinc/45/98/00/608459800.db2.gz DJEGYKMEKLMRSI-UHFFFAOYSA-N -1 3 350.426 3.127 20 0 FGADHM CCc1ccnc(C(=O)N(CC(C)C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000825727907 608459802 /nfs/dbraw/zinc/45/98/02/608459802.db2.gz DJEGYKMEKLMRSI-UHFFFAOYSA-N -1 3 350.426 3.127 20 0 FGADHM Fc1ccc([C@H](CC(F)(F)F)NCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000826373243 608471095 /nfs/dbraw/zinc/47/10/95/608471095.db2.gz FRMLVCAHSPWVBT-AWEZNQCLSA-N -1 3 366.322 3.184 20 0 FGADHM Cc1oc(C)c(C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c1C ZINC000826340639 608480173 /nfs/dbraw/zinc/48/01/73/608480173.db2.gz FVEKTSNMGNLVAB-UHFFFAOYSA-N -1 3 363.421 3.314 20 0 FGADHM Cc1oc(C)c(C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c1C ZINC000826340639 608480174 /nfs/dbraw/zinc/48/01/74/608480174.db2.gz FVEKTSNMGNLVAB-UHFFFAOYSA-N -1 3 363.421 3.314 20 0 FGADHM C[C@@H]1CCC[C@H](C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)C1 ZINC000824928181 608481652 /nfs/dbraw/zinc/48/16/52/608481652.db2.gz RYXIRGNMDSURPF-KDOFPFPSSA-N -1 3 351.454 3.309 20 0 FGADHM C[C@@H]1CCC[C@H](C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC000824928181 608481655 /nfs/dbraw/zinc/48/16/55/608481655.db2.gz RYXIRGNMDSURPF-KDOFPFPSSA-N -1 3 351.454 3.309 20 0 FGADHM Cc1ccc(C)c(C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000826284265 608482171 /nfs/dbraw/zinc/48/21/71/608482171.db2.gz OFGJFIWYOCJUDJ-UHFFFAOYSA-N -1 3 359.433 3.413 20 0 FGADHM Cc1ccc(C)c(C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000826284265 608482172 /nfs/dbraw/zinc/48/21/72/608482172.db2.gz OFGJFIWYOCJUDJ-UHFFFAOYSA-N -1 3 359.433 3.413 20 0 FGADHM Cc1ccc(C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)cc1C ZINC000826281597 608483314 /nfs/dbraw/zinc/48/33/14/608483314.db2.gz BBSNREHPNAYRFR-UHFFFAOYSA-N -1 3 359.433 3.413 20 0 FGADHM Cc1ccc(C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)cc1C ZINC000826281597 608483316 /nfs/dbraw/zinc/48/33/16/608483316.db2.gz BBSNREHPNAYRFR-UHFFFAOYSA-N -1 3 359.433 3.413 20 0 FGADHM C[C@@H](C(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1)c1cccs1 ZINC000824040987 608484307 /nfs/dbraw/zinc/48/43/07/608484307.db2.gz WDWKJZYQOSTAOO-CYBMUJFWSA-N -1 3 365.462 3.348 20 0 FGADHM C[C@@H](C(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1)c1cccs1 ZINC000824040987 608484309 /nfs/dbraw/zinc/48/43/09/608484309.db2.gz WDWKJZYQOSTAOO-CYBMUJFWSA-N -1 3 365.462 3.348 20 0 FGADHM Cc1ccc(CC(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)cc1C ZINC000826286588 608484785 /nfs/dbraw/zinc/48/47/85/608484785.db2.gz IFMVMMXZDSGSDP-UHFFFAOYSA-N -1 3 373.460 3.342 20 0 FGADHM Cc1ccc(CC(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)cc1C ZINC000826286588 608484789 /nfs/dbraw/zinc/48/47/89/608484789.db2.gz IFMVMMXZDSGSDP-UHFFFAOYSA-N -1 3 373.460 3.342 20 0 FGADHM Cc1nc(CN[C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)nc2ccccc12 ZINC000826326576 608507791 /nfs/dbraw/zinc/50/77/91/608507791.db2.gz VVZUHXPSHGRCPZ-SFHVURJKSA-N -1 3 371.448 3.286 20 0 FGADHM O=C(c1ccc(Cl)cc1)C1CCN(Cc2ccc(-c3nnn[n-]3)o2)CC1 ZINC000826473202 608534750 /nfs/dbraw/zinc/53/47/50/608534750.db2.gz OTFQZKQWSQGHAJ-UHFFFAOYSA-N -1 3 371.828 3.208 20 0 FGADHM O=C(c1ccc(Cl)cc1)C1CCN(Cc2ccc(-c3nn[n-]n3)o2)CC1 ZINC000826473202 608534752 /nfs/dbraw/zinc/53/47/52/608534752.db2.gz OTFQZKQWSQGHAJ-UHFFFAOYSA-N -1 3 371.828 3.208 20 0 FGADHM CCCN(Cc1cnc2ccc(-c3nnn[n-]3)cn12)Cc1ccccc1F ZINC000825323517 608548389 /nfs/dbraw/zinc/54/83/89/608548389.db2.gz XJGKEJLTYVUDSZ-UHFFFAOYSA-N -1 3 365.416 3.066 20 0 FGADHM CCCN(Cc1cnc2ccc(-c3nn[n-]n3)cn12)Cc1ccccc1F ZINC000825323517 608548391 /nfs/dbraw/zinc/54/83/91/608548391.db2.gz XJGKEJLTYVUDSZ-UHFFFAOYSA-N -1 3 365.416 3.066 20 0 FGADHM CC(C)(C)[C@H](NCc1ccnc(-c2nnn[n-]2)c1)c1ccc(F)cc1F ZINC000824071635 608553247 /nfs/dbraw/zinc/55/32/47/608553247.db2.gz LOOYRFRVXQSDEP-MRXNPFEDSA-N -1 3 358.396 3.417 20 0 FGADHM C[C@H](CCc1ccccc1)NC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000824406603 608572913 /nfs/dbraw/zinc/57/29/13/608572913.db2.gz NSCCOIKYEUPOFN-GFCCVEGCSA-N -1 3 355.829 3.271 20 0 FGADHM C[C@H](CCc1ccccc1)NC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000824406603 608572915 /nfs/dbraw/zinc/57/29/15/608572915.db2.gz NSCCOIKYEUPOFN-GFCCVEGCSA-N -1 3 355.829 3.271 20 0 FGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H]1CCC(C)(C)C1 ZINC000825317841 608588565 /nfs/dbraw/zinc/58/85/65/608588565.db2.gz DJSMBEKEIYYCFU-INIZCTEOSA-N -1 3 356.474 3.367 20 0 FGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H]1CCC(C)(C)C1 ZINC000825317841 608588566 /nfs/dbraw/zinc/58/85/66/608588566.db2.gz DJSMBEKEIYYCFU-INIZCTEOSA-N -1 3 356.474 3.367 20 0 FGADHM COc1ccc([C@@H](C)COC(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000826188441 608593395 /nfs/dbraw/zinc/59/33/95/608593395.db2.gz XGUARWHGDYUJGZ-TZIYXEQSSA-N -1 3 364.405 3.235 20 0 FGADHM COc1ccc([C@@H](C)COC(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000826188441 608593397 /nfs/dbraw/zinc/59/33/97/608593397.db2.gz XGUARWHGDYUJGZ-TZIYXEQSSA-N -1 3 364.405 3.235 20 0 FGADHM Cn1c2ccccc2nc1[C@H]1CCCN1Cc1ccc(-c2nnn[n-]2)s1 ZINC000826355162 608612203 /nfs/dbraw/zinc/61/22/03/608612203.db2.gz MXOZPRGAHPYCGL-OAHLLOKOSA-N -1 3 365.466 3.152 20 0 FGADHM Cn1c2ccccc2nc1[C@H]1CCCN1Cc1ccc(-c2nn[n-]n2)s1 ZINC000826355162 608612207 /nfs/dbraw/zinc/61/22/07/608612207.db2.gz MXOZPRGAHPYCGL-OAHLLOKOSA-N -1 3 365.466 3.152 20 0 FGADHM CCCN(Cc1cc(-c2nnn[n-]2)cs1)[C@H](C)C(=O)Nc1ccccc1 ZINC000825313742 608657690 /nfs/dbraw/zinc/65/76/90/608657690.db2.gz QAZPDCVAAQUUFD-CYBMUJFWSA-N -1 3 370.482 3.167 20 0 FGADHM CCCN(Cc1cc(-c2nn[n-]n2)cs1)[C@H](C)C(=O)Nc1ccccc1 ZINC000825313742 608657692 /nfs/dbraw/zinc/65/76/92/608657692.db2.gz QAZPDCVAAQUUFD-CYBMUJFWSA-N -1 3 370.482 3.167 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N[C@H](C1CCCC1)C(F)(F)F ZINC000826454001 608659294 /nfs/dbraw/zinc/65/92/94/608659294.db2.gz GPWRIMSXWQHJKN-GFCCVEGCSA-N -1 3 372.326 3.248 20 0 FGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N[C@H](C1CCCC1)C(F)(F)F ZINC000826454001 608659295 /nfs/dbraw/zinc/65/92/95/608659295.db2.gz GPWRIMSXWQHJKN-GFCCVEGCSA-N -1 3 372.326 3.248 20 0 FGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)NCCCc1cccs1 ZINC000824147422 608752919 /nfs/dbraw/zinc/75/29/19/608752919.db2.gz CGYSOPAUDISDJJ-UHFFFAOYSA-N -1 3 373.486 3.239 20 0 FGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)NCCCc1cccs1 ZINC000824147422 608752923 /nfs/dbraw/zinc/75/29/23/608752923.db2.gz CGYSOPAUDISDJJ-UHFFFAOYSA-N -1 3 373.486 3.239 20 0 FGADHM COc1ccc(CNc2cnccc2-c2nnn[n-]2)cc1OC1CCCC1 ZINC000826203997 608779484 /nfs/dbraw/zinc/77/94/84/608779484.db2.gz RGBHHJXYCIEPSQ-UHFFFAOYSA-N -1 3 366.425 3.204 20 0 FGADHM COc1ccc(CNc2cnccc2-c2nn[n-]n2)cc1OC1CCCC1 ZINC000826203997 608779486 /nfs/dbraw/zinc/77/94/86/608779486.db2.gz RGBHHJXYCIEPSQ-UHFFFAOYSA-N -1 3 366.425 3.204 20 0 FGADHM COc1ccc(CNc2cnccc2-c2nnn[n-]2)c(OC2CCCC2)c1 ZINC000826204009 608790096 /nfs/dbraw/zinc/79/00/96/608790096.db2.gz RUKWAAHFUWEELJ-UHFFFAOYSA-N -1 3 366.425 3.204 20 0 FGADHM COc1ccc(CNc2cnccc2-c2nn[n-]n2)c(OC2CCCC2)c1 ZINC000826204009 608790100 /nfs/dbraw/zinc/79/01/00/608790100.db2.gz RUKWAAHFUWEELJ-UHFFFAOYSA-N -1 3 366.425 3.204 20 0 FGADHM c1nc2ccc(-c3nnn[n-]3)cn2c1CNc1ccccc1N1CCCCC1 ZINC000826522036 608861756 /nfs/dbraw/zinc/86/17/56/608861756.db2.gz JHUOGOUUPSNURJ-UHFFFAOYSA-N -1 3 374.452 3.117 20 0 FGADHM c1nc2ccc(-c3nn[n-]n3)cn2c1CNc1ccccc1N1CCCCC1 ZINC000826522036 608861760 /nfs/dbraw/zinc/86/17/60/608861760.db2.gz JHUOGOUUPSNURJ-UHFFFAOYSA-N -1 3 374.452 3.117 20 0 FGADHM CCOC(=O)c1sc(C=Cc2ccc(F)c(-c3nnn[n-]3)c2)nc1C ZINC000825577712 608879457 /nfs/dbraw/zinc/87/94/57/608879457.db2.gz ZHGIPSOTBMKESG-FNORWQNLSA-N -1 3 359.386 3.118 20 0 FGADHM CCOC(=O)c1sc(C=Cc2ccc(F)c(-c3nn[n-]n3)c2)nc1C ZINC000825577712 608879458 /nfs/dbraw/zinc/87/94/58/608879458.db2.gz ZHGIPSOTBMKESG-FNORWQNLSA-N -1 3 359.386 3.118 20 0 FGADHM C[C@@H](NCc1c(F)c(F)cc(F)c1F)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824605772 609151616 /nfs/dbraw/zinc/15/16/16/609151616.db2.gz LBOQNXNXPIEEPI-SSDOTTSWSA-N -1 3 369.297 3.413 20 0 FGADHM C[C@@H](NCc1c(F)c(F)cc(F)c1F)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824605772 609151617 /nfs/dbraw/zinc/15/16/17/609151617.db2.gz LBOQNXNXPIEEPI-SSDOTTSWSA-N -1 3 369.297 3.413 20 0 FGADHM CC(C)n1cc2c(n1)[C@@H](Nc1ncc(-c3nnn[n-]3)cc1Cl)CCC2 ZINC000824371475 609171748 /nfs/dbraw/zinc/17/17/48/609171748.db2.gz HADIMZUZIQTHAX-ZDUSSCGKSA-N -1 3 358.837 3.182 20 0 FGADHM CC(C)n1cc2c(n1)[C@@H](Nc1ncc(-c3nn[n-]n3)cc1Cl)CCC2 ZINC000824371475 609171750 /nfs/dbraw/zinc/17/17/50/609171750.db2.gz HADIMZUZIQTHAX-ZDUSSCGKSA-N -1 3 358.837 3.182 20 0 FGADHM COCCOc1cccc(N[C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)c1 ZINC000826163216 609176255 /nfs/dbraw/zinc/17/62/55/609176255.db2.gz KUXBCBXFGVDART-LJQANCHMSA-N -1 3 365.437 3.381 20 0 FGADHM COCCOc1cccc(N[C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)c1 ZINC000826163216 609176257 /nfs/dbraw/zinc/17/62/57/609176257.db2.gz KUXBCBXFGVDART-LJQANCHMSA-N -1 3 365.437 3.381 20 0 FGADHM COc1cc(C)nc(CSCc2ccc(OC)c(-c3nnn[n-]3)c2)c1 ZINC000826178525 609185185 /nfs/dbraw/zinc/18/51/85/609185185.db2.gz BDHPQWHGOARCJC-UHFFFAOYSA-N -1 3 357.439 3.021 20 0 FGADHM COc1cc(C)nc(CSCc2ccc(OC)c(-c3nn[n-]n3)c2)c1 ZINC000826178525 609185186 /nfs/dbraw/zinc/18/51/86/609185186.db2.gz BDHPQWHGOARCJC-UHFFFAOYSA-N -1 3 357.439 3.021 20 0 FGADHM CCN(C(=O)c1c[nH]c(-c2nnn[n-]2)c1)[C@@H](C)c1cc2ccccc2o1 ZINC000825377110 609200690 /nfs/dbraw/zinc/20/06/90/609200690.db2.gz UAXZSLLONAAAPS-NSHDSACASA-N -1 3 350.382 3.164 20 0 FGADHM CCN(C(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@@H](C)c1cc2ccccc2o1 ZINC000825377110 609200692 /nfs/dbraw/zinc/20/06/92/609200692.db2.gz UAXZSLLONAAAPS-NSHDSACASA-N -1 3 350.382 3.164 20 0 FGADHM C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000824764894 609203444 /nfs/dbraw/zinc/20/34/44/609203444.db2.gz ZMPLFTDFZZDCIX-VIFPVBQESA-N -1 3 364.331 3.047 20 0 FGADHM C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000824764894 609203445 /nfs/dbraw/zinc/20/34/45/609203445.db2.gz ZMPLFTDFZZDCIX-VIFPVBQESA-N -1 3 364.331 3.047 20 0 FGADHM CCCCC[C@H](NC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)C(C)(C)C ZINC000825266838 609231378 /nfs/dbraw/zinc/23/13/78/609231378.db2.gz HTBCEOFDOHDDAC-JKSUJKDBSA-N -1 3 359.474 3.011 20 0 FGADHM CCCCC[C@H](NC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)C(C)(C)C ZINC000825266838 609231380 /nfs/dbraw/zinc/23/13/80/609231380.db2.gz HTBCEOFDOHDDAC-JKSUJKDBSA-N -1 3 359.474 3.011 20 0 FGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H](OC)c1ccccc1 ZINC000825332616 609236824 /nfs/dbraw/zinc/23/68/24/609236824.db2.gz KFIPFFJYHRLCOD-KRWDZBQOSA-N -1 3 366.425 3.015 20 0 FGADHM CC[C@@H](C)Oc1cc(C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)ccn1 ZINC000825075554 609256269 /nfs/dbraw/zinc/25/62/69/609256269.db2.gz PQGAVEJKQWTOFP-OLZOCXBDSA-N -1 3 367.409 3.357 20 0 FGADHM CC[C@@H](C)Oc1cc(C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)ccn1 ZINC000825075554 609256270 /nfs/dbraw/zinc/25/62/70/609256270.db2.gz PQGAVEJKQWTOFP-OLZOCXBDSA-N -1 3 367.409 3.357 20 0 FGADHM COc1cc(C(=O)Nc2sccc2-c2nnn[n-]2)cc(OC)c1C(C)C ZINC000826177507 609268562 /nfs/dbraw/zinc/26/85/62/609268562.db2.gz LFUFKSXZDLLPTK-UHFFFAOYSA-N -1 3 373.438 3.321 20 0 FGADHM COc1cc(C(=O)Nc2sccc2-c2nn[n-]n2)cc(OC)c1C(C)C ZINC000826177507 609268563 /nfs/dbraw/zinc/26/85/63/609268563.db2.gz LFUFKSXZDLLPTK-UHFFFAOYSA-N -1 3 373.438 3.321 20 0 FGADHM C[C@H](Nc1ccc(N2CCOC[C@@H]2C)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824658577 609279475 /nfs/dbraw/zinc/27/94/75/609279475.db2.gz YNGDRTZVGDYIHP-GJZGRUSLSA-N -1 3 364.453 3.265 20 0 FGADHM C[C@H](Nc1ccc(N2CCOC[C@@H]2C)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824658577 609279476 /nfs/dbraw/zinc/27/94/76/609279476.db2.gz YNGDRTZVGDYIHP-GJZGRUSLSA-N -1 3 364.453 3.265 20 0 FGADHM C[C@H](OC(=O)C1(C)CCCCCC1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000824714424 609295021 /nfs/dbraw/zinc/29/50/21/609295021.db2.gz MOTDBKWQKBLZGH-ZDUSSCGKSA-N -1 3 371.441 3.097 20 0 FGADHM C[C@H](OC(=O)C1(C)CCCCCC1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000824714424 609295022 /nfs/dbraw/zinc/29/50/22/609295022.db2.gz MOTDBKWQKBLZGH-ZDUSSCGKSA-N -1 3 371.441 3.097 20 0 FGADHM O=C(NCc1ccco1)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826443352 609302976 /nfs/dbraw/zinc/30/29/76/609302976.db2.gz LMSLFGAYLIUHIT-UHFFFAOYSA-N -1 3 361.361 3.182 20 0 FGADHM O=C(NCc1ccco1)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826443352 609302978 /nfs/dbraw/zinc/30/29/78/609302978.db2.gz LMSLFGAYLIUHIT-UHFFFAOYSA-N -1 3 361.361 3.182 20 0 FGADHM CC(C)Oc1ccc(CN[C@H](C)c2ccc(-c3nn[n-]n3)cc2F)cn1 ZINC000824324127 609327133 /nfs/dbraw/zinc/32/71/33/609327133.db2.gz HMJSWIBOJFPDIV-GFCCVEGCSA-N -1 3 356.405 3.039 20 0 FGADHM CC(C)Oc1ccc(CN[C@@H](C)c2ccc(-c3nn[n-]n3)cc2F)cn1 ZINC000824324128 609327240 /nfs/dbraw/zinc/32/72/40/609327240.db2.gz HMJSWIBOJFPDIV-LBPRGKRZSA-N -1 3 356.405 3.039 20 0 FGADHM C[C@H](N[C@@H]1CCOc2ccc(F)cc21)c1ccc(-c2nnn[n-]2)cc1F ZINC000824554162 609340965 /nfs/dbraw/zinc/34/09/65/609340965.db2.gz NFHCGTXABMVWRD-MGPLVRAMSA-N -1 3 357.364 3.319 20 0 FGADHM C[C@H](N[C@@H]1CCOc2ccc(F)cc21)c1ccc(-c2nn[n-]n2)cc1F ZINC000824554162 609340967 /nfs/dbraw/zinc/34/09/67/609340967.db2.gz NFHCGTXABMVWRD-MGPLVRAMSA-N -1 3 357.364 3.319 20 0 FGADHM Cc1cc(NCc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)ccc1F ZINC000826271463 609342952 /nfs/dbraw/zinc/34/29/52/609342952.db2.gz SHZYMLZKKBPRFG-UHFFFAOYSA-N -1 3 363.400 3.327 20 0 FGADHM Cc1cc(NCc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)ccc1F ZINC000826271463 609342954 /nfs/dbraw/zinc/34/29/54/609342954.db2.gz SHZYMLZKKBPRFG-UHFFFAOYSA-N -1 3 363.400 3.327 20 0 FGADHM CC(C)Cn1ncc(NCc2ccc(-c3nnn[n-]3)s2)c1C(F)F ZINC000824284711 609344167 /nfs/dbraw/zinc/34/41/67/609344167.db2.gz NNTOLIICBCSWJF-UHFFFAOYSA-N -1 3 353.402 3.330 20 0 FGADHM O=C(C=C1CCCC1)OCc1ccc(-c2nnn[n-]2)cc1Br ZINC000826399734 609344280 /nfs/dbraw/zinc/34/42/80/609344280.db2.gz DPZQHWLMTZBHNC-UHFFFAOYSA-N -1 3 363.215 3.173 20 0 FGADHM O=C(C=C1CCCC1)OCc1ccc(-c2nn[n-]n2)cc1Br ZINC000826399734 609344281 /nfs/dbraw/zinc/34/42/81/609344281.db2.gz DPZQHWLMTZBHNC-UHFFFAOYSA-N -1 3 363.215 3.173 20 0 FGADHM C[C@@H]1CCC[C@H](Nc2ccc(N3CCC(O)CC3)c(-c3nnn[n-]3)c2)[C@@H]1C ZINC000824927078 609347726 /nfs/dbraw/zinc/34/77/26/609347726.db2.gz LZJUWBRWMIPDQL-LBTNJELSSA-N -1 3 370.501 3.064 20 0 FGADHM C[C@@H]1CCC[C@H](Nc2ccc(N3CCC(O)CC3)c(-c3nn[n-]n3)c2)[C@@H]1C ZINC000824927078 609347728 /nfs/dbraw/zinc/34/77/28/609347728.db2.gz LZJUWBRWMIPDQL-LBTNJELSSA-N -1 3 370.501 3.064 20 0 FGADHM C[C@H](Nc1ccc2oc(N(C)C)nc2c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824662149 609348938 /nfs/dbraw/zinc/34/89/38/609348938.db2.gz DPGXPOQTIJHAGI-JTQLQIEISA-N -1 3 367.388 3.386 20 0 FGADHM C[C@H](Nc1ccc2oc(N(C)C)nc2c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824662149 609348940 /nfs/dbraw/zinc/34/89/40/609348940.db2.gz DPGXPOQTIJHAGI-JTQLQIEISA-N -1 3 367.388 3.386 20 0 FGADHM CCOc1ccc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2F)cc1CO ZINC000825643310 609349639 /nfs/dbraw/zinc/34/96/39/609349639.db2.gz LTIBYEBENRYEMP-LLVKDONJSA-N -1 3 357.389 3.070 20 0 FGADHM CCOc1ccc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2F)cc1CO ZINC000825643310 609349642 /nfs/dbraw/zinc/34/96/42/609349642.db2.gz LTIBYEBENRYEMP-LLVKDONJSA-N -1 3 357.389 3.070 20 0 FGADHM CCN(Cc1ccc(-c2nnn[n-]2)cc1Br)CC(F)(F)F ZINC000825428374 609361906 /nfs/dbraw/zinc/36/19/06/609361906.db2.gz LALFORIRJTWAEN-UHFFFAOYSA-N -1 3 364.169 3.013 20 0 FGADHM CCN(Cc1ccc(-c2nn[n-]n2)cc1Br)CC(F)(F)F ZINC000825428374 609361907 /nfs/dbraw/zinc/36/19/07/609361907.db2.gz LALFORIRJTWAEN-UHFFFAOYSA-N -1 3 364.169 3.013 20 0 FGADHM CCc1cc(NC(=O)NCc2ccc(OC)c(-c3nnn[n-]3)c2)ccc1C ZINC000825700518 609383281 /nfs/dbraw/zinc/38/32/81/609383281.db2.gz IOXUVWBKZWFINR-UHFFFAOYSA-N -1 3 366.425 3.068 20 0 FGADHM CCc1cc(NC(=O)NCc2ccc(OC)c(-c3nn[n-]n3)c2)ccc1C ZINC000825700518 609383283 /nfs/dbraw/zinc/38/32/83/609383283.db2.gz IOXUVWBKZWFINR-UHFFFAOYSA-N -1 3 366.425 3.068 20 0 FGADHM CC[C@H](C)n1nc(C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1C ZINC000825081974 609385387 /nfs/dbraw/zinc/38/53/87/609385387.db2.gz OTUANHFJZVABFX-AAEUAGOBSA-N -1 3 354.414 3.261 20 0 FGADHM CC[C@H](C)n1nc(C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1C ZINC000825081974 609385390 /nfs/dbraw/zinc/38/53/90/609385390.db2.gz OTUANHFJZVABFX-AAEUAGOBSA-N -1 3 354.414 3.261 20 0 FGADHM C[C@@H]1CC[C@@]2(CCN(c3nc(C(F)(F)F)ccc3-c3nnn[n-]3)C2)C1 ZINC000824919577 609390377 /nfs/dbraw/zinc/39/03/77/609390377.db2.gz WNAKDEKFDBLTFW-MEBBXXQBSA-N -1 3 352.364 3.297 20 0 FGADHM C[C@@H]1CC[C@@]2(CCN(c3nc(C(F)(F)F)ccc3-c3nn[n-]n3)C2)C1 ZINC000824919577 609390381 /nfs/dbraw/zinc/39/03/81/609390381.db2.gz WNAKDEKFDBLTFW-MEBBXXQBSA-N -1 3 352.364 3.297 20 0 FGADHM C[C@@H](OC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1nc2ccccc2o1 ZINC000824714050 609403463 /nfs/dbraw/zinc/40/34/63/609403463.db2.gz MCDPCDVPQWCNON-HCRIHEDKSA-N -1 3 361.361 3.326 20 0 FGADHM C[C@@H](OC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1nc2ccccc2o1 ZINC000824714050 609403464 /nfs/dbraw/zinc/40/34/64/609403464.db2.gz MCDPCDVPQWCNON-HCRIHEDKSA-N -1 3 361.361 3.326 20 0 FGADHM C[C@@H](NC(=O)N1CC[C@@]2(CC[C@@H](C)C2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000824919049 609403776 /nfs/dbraw/zinc/40/37/76/609403776.db2.gz RMLJJDPEZMXRMD-PJIJBLCYSA-N -1 3 354.458 3.149 20 0 FGADHM C[C@@H](NC(=O)N1CC[C@@]2(CC[C@@H](C)C2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000824919049 609403778 /nfs/dbraw/zinc/40/37/78/609403778.db2.gz RMLJJDPEZMXRMD-PJIJBLCYSA-N -1 3 354.458 3.149 20 0 FGADHM CC(C)(C)[C@@H]1CCc2nc(NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)sc2C1 ZINC000824077272 609404343 /nfs/dbraw/zinc/40/43/43/609404343.db2.gz AGMSSMSIKQCWKR-SECBINFHSA-N -1 3 371.470 3.055 20 0 FGADHM CC(C)(C)[C@@H]1CCc2nc(NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)sc2C1 ZINC000824077272 609404344 /nfs/dbraw/zinc/40/43/44/609404344.db2.gz AGMSSMSIKQCWKR-SECBINFHSA-N -1 3 371.470 3.055 20 0 FGADHM O=C(Nc1ccc(N2CCCCC2)c(Cl)c1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826454735 609442581 /nfs/dbraw/zinc/44/25/81/609442581.db2.gz IZXSKCUHMYYHBF-UHFFFAOYSA-N -1 3 371.832 3.091 20 0 FGADHM O=C(Nc1ccc(N2CCCCC2)c(Cl)c1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826454735 609442583 /nfs/dbraw/zinc/44/25/83/609442583.db2.gz IZXSKCUHMYYHBF-UHFFFAOYSA-N -1 3 371.832 3.091 20 0 FGADHM O=C(Nc1ccc(OC2CCCC2)c(Cl)c1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826455016 609444810 /nfs/dbraw/zinc/44/48/10/609444810.db2.gz VSJRIPVPNAHUKO-UHFFFAOYSA-N -1 3 372.816 3.422 20 0 FGADHM O=C(Nc1ccc(OC2CCCC2)c(Cl)c1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826455016 609444811 /nfs/dbraw/zinc/44/48/11/609444811.db2.gz VSJRIPVPNAHUKO-UHFFFAOYSA-N -1 3 372.816 3.422 20 0 FGADHM CC[C@H](C)NC(=O)[C@H](C)Sc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000825067249 609452154 /nfs/dbraw/zinc/45/21/54/609452154.db2.gz IWENQTNGFFDILI-IUCAKERBSA-N -1 3 373.404 3.281 20 0 FGADHM CC[C@H](C)NC(=O)[C@H](C)Sc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000825067249 609452157 /nfs/dbraw/zinc/45/21/57/609452157.db2.gz IWENQTNGFFDILI-IUCAKERBSA-N -1 3 373.404 3.281 20 0 FGADHM COCC1(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)CC1 ZINC000826152627 609458990 /nfs/dbraw/zinc/45/89/90/609458990.db2.gz HTZIJVJSDLBOSR-UHFFFAOYSA-N -1 3 365.393 3.024 20 0 FGADHM COCC1(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)CC1 ZINC000826152627 609458992 /nfs/dbraw/zinc/45/89/92/609458992.db2.gz HTZIJVJSDLBOSR-UHFFFAOYSA-N -1 3 365.393 3.024 20 0 FGADHM Cc1nn(C)c(Oc2ccccc2)c1CNc1cccc(-c2nnn[n-]2)c1 ZINC000826334513 609475246 /nfs/dbraw/zinc/47/52/46/609475246.db2.gz YGGWODUDVUYRJF-UHFFFAOYSA-N -1 3 361.409 3.313 20 0 FGADHM Cc1nn(C)c(Oc2ccccc2)c1CNc1cccc(-c2nn[n-]n2)c1 ZINC000826334513 609475247 /nfs/dbraw/zinc/47/52/47/609475247.db2.gz YGGWODUDVUYRJF-UHFFFAOYSA-N -1 3 361.409 3.313 20 0 FGADHM C[C@@H]1C[C@@H](Nc2ccc(OCc3cccc(-c4nnn[n-]4)c3)cc2)CCO1 ZINC000824892988 609483066 /nfs/dbraw/zinc/48/30/66/609483066.db2.gz OJQOYWLZAGTCEI-KDOFPFPSSA-N -1 3 365.437 3.425 20 0 FGADHM C[C@@H]1C[C@@H](Nc2ccc(OCc3cccc(-c4nn[n-]n4)c3)cc2)CCO1 ZINC000824892988 609483068 /nfs/dbraw/zinc/48/30/68/609483068.db2.gz OJQOYWLZAGTCEI-KDOFPFPSSA-N -1 3 365.437 3.425 20 0 FGADHM CCOc1cccc(CSc2nc3c(cc2-c2nnn[n-]2)CCCC3)n1 ZINC000825648845 609485476 /nfs/dbraw/zinc/48/54/76/609485476.db2.gz DSQVJFNHLXJJFF-UHFFFAOYSA-N -1 3 368.466 3.227 20 0 FGADHM CCOc1cccc(CSc2nc3c(cc2-c2nn[n-]n2)CCCC3)n1 ZINC000825648845 609485478 /nfs/dbraw/zinc/48/54/78/609485478.db2.gz DSQVJFNHLXJJFF-UHFFFAOYSA-N -1 3 368.466 3.227 20 0 FGADHM CCOC(=O)Nc1ccc(NCc2ccc(Cl)o2)cc1-c1nnn[n-]1 ZINC000825552605 609487821 /nfs/dbraw/zinc/48/78/21/609487821.db2.gz BAGDQTQGHJGWOE-UHFFFAOYSA-N -1 3 362.777 3.294 20 0 FGADHM CCOC(=O)Nc1ccc(NCc2ccc(Cl)o2)cc1-c1nn[n-]n1 ZINC000825552605 609487822 /nfs/dbraw/zinc/48/78/22/609487822.db2.gz BAGDQTQGHJGWOE-UHFFFAOYSA-N -1 3 362.777 3.294 20 0 FGADHM CC(C)Oc1ccc(NCc2nn(C)c3ccccc23)cc1-c1nnn[n-]1 ZINC000824334546 609492289 /nfs/dbraw/zinc/49/22/89/609492289.db2.gz XMKNGGYHYSHTRP-UHFFFAOYSA-N -1 3 363.425 3.153 20 0 FGADHM CC(C)Oc1ccc(NCc2nn(C)c3ccccc23)cc1-c1nn[n-]n1 ZINC000824334546 609492290 /nfs/dbraw/zinc/49/22/90/609492290.db2.gz XMKNGGYHYSHTRP-UHFFFAOYSA-N -1 3 363.425 3.153 20 0 FGADHM CC(C)(C)[C@@H]1CCN(C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)C1 ZINC000824080404 609496071 /nfs/dbraw/zinc/49/60/71/609496071.db2.gz WKPILFQLRJJOHV-CYBMUJFWSA-N -1 3 359.478 3.323 20 0 FGADHM CC(C)(C)[C@@H]1CCN(C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)C1 ZINC000824080404 609496072 /nfs/dbraw/zinc/49/60/72/609496072.db2.gz WKPILFQLRJJOHV-CYBMUJFWSA-N -1 3 359.478 3.323 20 0 FGADHM Cc1ccccc1C1=CCN(C(=O)C=Cc2ccccc2-c2nnn[n-]2)C1 ZINC000826306993 609503212 /nfs/dbraw/zinc/50/32/12/609503212.db2.gz SGOHHZUGXCOJPW-KHPPLWFESA-N -1 3 357.417 3.114 20 0 FGADHM Cc1ccccc1C1=CCN(C(=O)C=Cc2ccccc2-c2nn[n-]n2)C1 ZINC000826306993 609503213 /nfs/dbraw/zinc/50/32/13/609503213.db2.gz SGOHHZUGXCOJPW-KHPPLWFESA-N -1 3 357.417 3.114 20 0 FGADHM Fc1ccc(NCc2ccc(OC[C@H]3CCCO3)cc2)cc1-c1nnn[n-]1 ZINC000826375620 609511214 /nfs/dbraw/zinc/51/12/14/609511214.db2.gz VBXLYPSEYJPWCR-MRXNPFEDSA-N -1 3 369.400 3.176 20 0 FGADHM Fc1ccc(NCc2ccc(OC[C@H]3CCCO3)cc2)cc1-c1nn[n-]n1 ZINC000826375620 609511216 /nfs/dbraw/zinc/51/12/16/609511216.db2.gz VBXLYPSEYJPWCR-MRXNPFEDSA-N -1 3 369.400 3.176 20 0 FGADHM Cc1ccncc1C=CC(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000826315873 609511440 /nfs/dbraw/zinc/51/14/40/609511440.db2.gz XCUFAUDNCFLWRS-QPJJXVBHSA-N -1 3 364.409 3.009 20 0 FGADHM Cc1ccncc1C=CC(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000826315873 609511443 /nfs/dbraw/zinc/51/14/43/609511443.db2.gz XCUFAUDNCFLWRS-QPJJXVBHSA-N -1 3 364.409 3.009 20 0 FGADHM CCC[C@@H]1C[C@@H](C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)CCO1 ZINC000825251631 609522217 /nfs/dbraw/zinc/52/22/17/609522217.db2.gz DAQMPFIBJXCABD-ZWKOTPCHSA-N -1 3 371.485 3.199 20 0 FGADHM CCC[C@@H]1C[C@@H](C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)CCO1 ZINC000825251631 609522218 /nfs/dbraw/zinc/52/22/18/609522218.db2.gz DAQMPFIBJXCABD-ZWKOTPCHSA-N -1 3 371.485 3.199 20 0 FGADHM Cc1c(Cl)cnc(NCCc2cccc3cccnc32)c1-c1nnn[n-]1 ZINC000826240243 609527143 /nfs/dbraw/zinc/52/71/43/609527143.db2.gz JZSJYFOCJLUSAK-UHFFFAOYSA-N -1 3 365.828 3.426 20 0 FGADHM Cc1c(Cl)cnc(NCCc2cccc3cccnc32)c1-c1nn[n-]n1 ZINC000826240243 609527144 /nfs/dbraw/zinc/52/71/44/609527144.db2.gz JZSJYFOCJLUSAK-UHFFFAOYSA-N -1 3 365.828 3.426 20 0 FGADHM Cc1c(Cl)cnc(NCc2ccc(-n3ccnc3)cc2)c1-c1nnn[n-]1 ZINC000826240560 609541379 /nfs/dbraw/zinc/54/13/79/609541379.db2.gz ZZBBLHQCZZKWIM-UHFFFAOYSA-N -1 3 366.816 3.021 20 0 FGADHM Cc1c(Cl)cnc(NCc2ccc(-n3ccnc3)cc2)c1-c1nn[n-]n1 ZINC000826240560 609541381 /nfs/dbraw/zinc/54/13/81/609541381.db2.gz ZZBBLHQCZZKWIM-UHFFFAOYSA-N -1 3 366.816 3.021 20 0 FGADHM Cc1ccc([C@@H]2OCCC[C@H]2CNc2nccc(C)c2-c2nnn[n-]2)cc1 ZINC000826285568 609563843 /nfs/dbraw/zinc/56/38/43/609563843.db2.gz CWXBDJOYBKSBFW-WMZOPIPTSA-N -1 3 364.453 3.458 20 0 FGADHM Cc1ccc([C@@H]2OCCC[C@H]2CNc2nccc(C)c2-c2nn[n-]n2)cc1 ZINC000826285568 609563845 /nfs/dbraw/zinc/56/38/45/609563845.db2.gz CWXBDJOYBKSBFW-WMZOPIPTSA-N -1 3 364.453 3.458 20 0 FGADHM Cc1ccnc(N2CCC(=Cc3ccccc3F)CC2)c1-c1nnn[n-]1 ZINC000826309991 609573769 /nfs/dbraw/zinc/57/37/69/609573769.db2.gz ILRNQYNHVNHLMA-UHFFFAOYSA-N -1 3 350.401 3.393 20 0 FGADHM Cc1ccnc(N2CCC(=Cc3ccccc3F)CC2)c1-c1nn[n-]n1 ZINC000826309991 609573772 /nfs/dbraw/zinc/57/37/72/609573772.db2.gz ILRNQYNHVNHLMA-UHFFFAOYSA-N -1 3 350.401 3.393 20 0 FGADHM COc1cccc(CC2CCN(c3nc(C)ccc3-c3nnn[n-]3)CC2)c1 ZINC000826216257 609588255 /nfs/dbraw/zinc/58/82/55/609588255.db2.gz QHEMWTRNPHAGOL-UHFFFAOYSA-N -1 3 364.453 3.038 20 0 FGADHM COc1cccc(CC2CCN(c3nc(C)ccc3-c3nn[n-]n3)CC2)c1 ZINC000826216257 609588258 /nfs/dbraw/zinc/58/82/58/609588258.db2.gz QHEMWTRNPHAGOL-UHFFFAOYSA-N -1 3 364.453 3.038 20 0 FGADHM COCCN(C(=O)[C@@H]1C[C@@H](C)CC(C)(C)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826157317 609589889 /nfs/dbraw/zinc/58/98/89/609589889.db2.gz QUKSJZYSCVJVLZ-GDBMZVCRSA-N -1 3 371.485 3.309 20 0 FGADHM COCCN(C(=O)[C@@H]1C[C@@H](C)CC(C)(C)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826157317 609589892 /nfs/dbraw/zinc/58/98/92/609589892.db2.gz QUKSJZYSCVJVLZ-GDBMZVCRSA-N -1 3 371.485 3.309 20 0 FGADHM CC(=O)c1ccc(C(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)cc1 ZINC000824024396 609615403 /nfs/dbraw/zinc/61/54/03/609615403.db2.gz CIWOKEJXHVWKBX-UHFFFAOYSA-N -1 3 356.769 3.080 20 0 FGADHM CC(=O)c1ccc(C(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)cc1 ZINC000824024396 609615404 /nfs/dbraw/zinc/61/54/04/609615404.db2.gz CIWOKEJXHVWKBX-UHFFFAOYSA-N -1 3 356.769 3.080 20 0 FGADHM O=C(CCc1ccc(F)cc1)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826408392 609617520 /nfs/dbraw/zinc/61/75/20/609617520.db2.gz DHFTVJXZTMMMMM-UHFFFAOYSA-N -1 3 360.776 3.335 20 0 FGADHM O=C(CCc1ccc(F)cc1)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826408392 609617522 /nfs/dbraw/zinc/61/75/22/609617522.db2.gz DHFTVJXZTMMMMM-UHFFFAOYSA-N -1 3 360.776 3.335 20 0 FGADHM COc1ccc(C(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)cc1F ZINC000826188345 609618847 /nfs/dbraw/zinc/61/88/47/609618847.db2.gz UMFPJSXZXBZCNN-UHFFFAOYSA-N -1 3 362.748 3.025 20 0 FGADHM COc1ccc(C(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)cc1F ZINC000826188345 609618849 /nfs/dbraw/zinc/61/88/49/609618849.db2.gz UMFPJSXZXBZCNN-UHFFFAOYSA-N -1 3 362.748 3.025 20 0 FGADHM